smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(CC(C)(C)C[NH2+]CCCF)C(=O)C12CC[NH+](CC1)C2 ZINC001275732954 1166704056 /nfs/dbraw/zinc/70/40/56/1166704056.db2.gz NCKXQVZHRBVTCF-UHFFFAOYSA-N 2 0 299.434 1.516 10 0 CDAERP CC(C)OC[C@@H](O)C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000226350960 1166943113 /nfs/dbraw/zinc/94/31/13/1166943113.db2.gz QCCPEVRYLYZWNQ-ZDUSSCGKSA-N 2 0 258.406 1.094 10 0 CDAERP CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+](C)C ZINC001565971678 1168206821 /nfs/dbraw/zinc/20/68/21/1168206821.db2.gz IPYNKIRGVJDIBD-OLZOCXBDSA-N 2 0 255.406 1.175 10 0 CDAERP CCCC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001566602748 1168354229 /nfs/dbraw/zinc/35/42/29/1168354229.db2.gz MZHYSIBYHLAOHU-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)OCC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001566793073 1168424790 /nfs/dbraw/zinc/42/47/90/1168424790.db2.gz IUQBVOGQGHLUBZ-HDJSIYSDSA-N 2 0 297.443 1.133 10 0 CDAERP CCCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001566813064 1168431902 /nfs/dbraw/zinc/43/19/02/1168431902.db2.gz OMRSHXBKJDOIJL-RBSFLKMASA-N 2 0 281.444 1.755 10 0 CDAERP CC[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001567082434 1168553337 /nfs/dbraw/zinc/55/33/37/1168553337.db2.gz OOJXEJMWFJEZBQ-KBPBESRZSA-N 2 0 269.433 1.611 10 0 CDAERP CC[N@H+](C)C[C@H](O)CN1CC[NH+](C2CCCC2)[C@@H](C)C1 ZINC001365337901 913066126 /nfs/dbraw/zinc/06/61/26/913066126.db2.gz BUSKEGZBPGJZCD-HOCLYGCPSA-N 2 0 283.460 1.248 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001266244550 893901345 /nfs/dbraw/zinc/90/13/45/893901345.db2.gz RMAZCDHQWRSHEF-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001266244549 893902866 /nfs/dbraw/zinc/90/28/66/893902866.db2.gz RMAZCDHQWRSHEF-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP CC[N@H+](C)CCC(=O)NCC[NH+](C)CC1CCCC1 ZINC001266344694 894477215 /nfs/dbraw/zinc/47/72/15/894477215.db2.gz NDEQALYHVQYKBE-UHFFFAOYSA-N 2 0 269.433 1.566 10 0 CDAERP C[NH+](C)CCCC(C)(C)[NH2+]CC1CCS(=O)(=O)CC1 ZINC000693039491 894833993 /nfs/dbraw/zinc/83/39/93/894833993.db2.gz JEJJWMGMJMOITO-UHFFFAOYSA-N 2 0 290.473 1.521 10 0 CDAERP CCCCC[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001266815138 896108309 /nfs/dbraw/zinc/10/83/09/896108309.db2.gz JHENRDWJAIODFI-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CCCC[C@H]1C[NH2+]CCCF ZINC001266885241 896274995 /nfs/dbraw/zinc/27/49/95/896274995.db2.gz WQWGGBCOCZFYHB-AWEZNQCLSA-N 2 0 285.407 1.413 10 0 CDAERP CCC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001267057846 896653113 /nfs/dbraw/zinc/65/31/13/896653113.db2.gz LRTUZAGZYUMGBT-UONOGXRCSA-N 2 0 267.417 1.176 10 0 CDAERP CC/C=C/CC[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001267391985 897851685 /nfs/dbraw/zinc/85/16/85/897851685.db2.gz YADBGYPMCKODIA-NFAHFFEMSA-N 2 0 281.444 1.875 10 0 CDAERP CN(CC[NH2+]C/C=C\Cl)C(=O)CC[NH+]1CCCCC1 ZINC001267473673 898095742 /nfs/dbraw/zinc/09/57/42/898095742.db2.gz IHLZQCPUKPJXIZ-ALCCZGGFSA-N 2 0 287.835 1.663 10 0 CDAERP CC(C)C[NH2+]CCN(C)C(=O)[C@@H](c1ccccc1)N(C)C ZINC001567612980 1168886470 /nfs/dbraw/zinc/88/64/70/1168886470.db2.gz RIAFSKWDEKQSBO-MRXNPFEDSA-N 2 0 291.439 1.993 10 0 CDAERP CC[N@H+](CCNC(=O)C1(C[NH+](C)C)CC1)CC1CCCC1 ZINC001480995767 898447902 /nfs/dbraw/zinc/44/79/02/898447902.db2.gz CJUYUOCFFWPIAS-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001481125699 898942635 /nfs/dbraw/zinc/94/26/35/898942635.db2.gz FINSNGKBQHQFRL-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP CCOCCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001267622058 899048390 /nfs/dbraw/zinc/04/83/90/899048390.db2.gz KJLXIONDZLTAIQ-OAHLLOKOSA-N 2 0 299.459 1.334 10 0 CDAERP CC[C@@H](C)C[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001481196674 899112135 /nfs/dbraw/zinc/11/21/35/899112135.db2.gz NJTROCJDPVDFCD-KGLIPLIRSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H](F)CC[NH2+]CCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001481242380 899595583 /nfs/dbraw/zinc/59/55/83/899595583.db2.gz IHROLCGRSBSGIT-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP C[NH+]1CCC2(CCN(C(=O)C3=CC[C@@H]([NH3+])C3)CC2)CC1 ZINC000695641154 899649382 /nfs/dbraw/zinc/64/93/82/899649382.db2.gz OOCXAWCXICNPNL-CQSZACIVSA-N 2 0 277.412 1.368 10 0 CDAERP C[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCCO)[NH+]1CCCCCC1 ZINC001420632631 899657356 /nfs/dbraw/zinc/65/73/56/899657356.db2.gz IIIJFZAFUGFEFZ-LSDHHAIUSA-N 2 0 299.459 1.070 10 0 CDAERP CO[C@@H](C)C[NH2+]CCN(C)C(=O)c1c(C)cc(C)nc1C ZINC001481260688 899696422 /nfs/dbraw/zinc/69/64/22/899696422.db2.gz XVVZHGRATNOFKP-ZDUSSCGKSA-N 2 0 293.411 1.703 10 0 CDAERP CC(C)[NH2+]C[C@](C)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001267865534 899902334 /nfs/dbraw/zinc/90/23/34/899902334.db2.gz XKKYYROEQRCAFU-HNNXBMFYSA-N 2 0 267.417 1.365 10 0 CDAERP CN(CC[NH2+]CC1CCC1)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001481290325 900142637 /nfs/dbraw/zinc/14/26/37/900142637.db2.gz HQWVUYPDRGMUPH-HZPDHXFCSA-N 2 0 293.455 1.851 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001268073029 901102914 /nfs/dbraw/zinc/10/29/14/901102914.db2.gz XYGGZGRXVORMGD-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)=CC[N@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001481536779 901104592 /nfs/dbraw/zinc/10/45/92/901104592.db2.gz LRCMISXBNGMASE-HNNXBMFYSA-N 2 0 293.455 1.875 10 0 CDAERP C[C@H](C[NH2+]CC1CCC1)N(C)C(=O)C[NH+]1CCCC1 ZINC001268099312 901282089 /nfs/dbraw/zinc/28/20/89/901282089.db2.gz BYGDEHVIBSWMNJ-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@](C)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001481950606 902397066 /nfs/dbraw/zinc/39/70/66/902397066.db2.gz JETYONIAFWHBRF-CJNGLKHVSA-N 2 0 299.434 1.705 10 0 CDAERP COCCCC[N@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001498376815 902566900 /nfs/dbraw/zinc/56/69/00/902566900.db2.gz SSFDVJIEQWIEIU-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP CCOCC[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001268583029 902671968 /nfs/dbraw/zinc/67/19/68/902671968.db2.gz RZXDLDFECKPTBF-WHJWBVKISA-N 2 0 297.443 1.015 10 0 CDAERP CC(C)[NH2+]C/C=C\CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001268630423 902845717 /nfs/dbraw/zinc/84/57/17/902845717.db2.gz KPILRHPZMOJVQW-YVACAVLKSA-N 2 0 281.444 1.777 10 0 CDAERP CN(CCC[NH2+]CC1CC2(CCC2)C1)C(=O)CC[NH+](C)C ZINC001268836562 903170645 /nfs/dbraw/zinc/17/06/45/903170645.db2.gz OOPAHCJORORFSF-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CC/C=C/CC[NH+]1CC(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001268879967 903206680 /nfs/dbraw/zinc/20/66/80/903206680.db2.gz WSQRZKNBWGOYEH-KIUWMYQTSA-N 2 0 281.444 1.731 10 0 CDAERP CC[C@H](C)C[NH+]1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001268906540 903229421 /nfs/dbraw/zinc/22/94/21/903229421.db2.gz QEAQNUSPFJIVCZ-ZDUSSCGKSA-N 2 0 267.417 1.176 10 0 CDAERP CC(C)[NH2+]CCCN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001268912024 903232611 /nfs/dbraw/zinc/23/26/11/903232611.db2.gz RGDURLNSAZQEOG-UHFFFAOYSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](C(=O)N(C)CCC[NH2+]Cc1cccnc1)[NH+](C)C ZINC001268915079 903241122 /nfs/dbraw/zinc/24/11/22/903241122.db2.gz IZFDKRAEJQWXMH-HNNXBMFYSA-N 2 0 292.427 1.360 10 0 CDAERP CCC[NH2+]C[C@@H](NC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001269124850 903451563 /nfs/dbraw/zinc/45/15/63/903451563.db2.gz PLJYPKHLWVFGDI-OAHLLOKOSA-N 2 0 281.444 1.613 10 0 CDAERP CCCCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001269343843 903720367 /nfs/dbraw/zinc/72/03/67/903720367.db2.gz PGVGBRRHUQWWAI-KBPBESRZSA-N 2 0 267.417 1.319 10 0 CDAERP O=C(N1CCC[C@@H]1C[NH2+]CCF)C12CCC[NH+]1CCC2 ZINC001270083441 904336332 /nfs/dbraw/zinc/33/63/32/904336332.db2.gz OIFYFIJASKZLFQ-CYBMUJFWSA-N 2 0 283.391 1.165 10 0 CDAERP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]C/C=C\Cl ZINC001270596925 904772597 /nfs/dbraw/zinc/77/25/97/904772597.db2.gz WYSYTINQGPQHDX-RXNFCKPNSA-N 2 0 273.808 1.177 10 0 CDAERP CC[NH2+]CC[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001482455033 905626591 /nfs/dbraw/zinc/62/65/91/905626591.db2.gz KLMHDJYYPZOTFA-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP COCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001271677750 906590157 /nfs/dbraw/zinc/59/01/57/906590157.db2.gz NQFCKMUXMMRQSJ-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@@H]1C[NH2+]CCOC ZINC001271748884 906769973 /nfs/dbraw/zinc/76/99/73/906769973.db2.gz BQRVXHPQODWIPG-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001271930419 906989367 /nfs/dbraw/zinc/98/93/67/906989367.db2.gz QNLGAHACJKLMGQ-QWHCGFSZSA-N 2 0 255.406 1.077 10 0 CDAERP CCN(CC[NH2+]CCCOC)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001482949051 908536997 /nfs/dbraw/zinc/53/69/97/908536997.db2.gz WZGPBSYVRXXPGS-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP CCN(CC[NH2+]CC(C)C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482963775 908546202 /nfs/dbraw/zinc/54/62/02/908546202.db2.gz PVKKMGXONXDPST-AWEZNQCLSA-N 2 0 269.433 1.422 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)[NH2+]C(C)C ZINC001567991138 1169110459 /nfs/dbraw/zinc/11/04/59/1169110459.db2.gz WQNGMSCPQASTGD-KGLIPLIRSA-N 2 0 269.433 1.754 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cc(C)no1 ZINC001409420460 910388732 /nfs/dbraw/zinc/38/87/32/910388732.db2.gz DSWSSXXEEUQSPD-QWHCGFSZSA-N 2 0 296.415 1.308 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001483377002 911016923 /nfs/dbraw/zinc/01/69/23/911016923.db2.gz GQPHFUAWPHBPTK-CQSZACIVSA-N 2 0 281.444 1.731 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001483406782 911072763 /nfs/dbraw/zinc/07/27/63/911072763.db2.gz GOCBVTLEDRLRAH-CQSZACIVSA-N 2 0 279.428 1.485 10 0 CDAERP CN(CCC[NH2+]CCCF)C(=O)C1CC[NH+](C)CC1 ZINC001483490038 911187728 /nfs/dbraw/zinc/18/77/28/911187728.db2.gz WCUVYHZCAAPBGN-UHFFFAOYSA-N 2 0 273.396 1.126 10 0 CDAERP O=C1OCCN1CCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000690439780 911300531 /nfs/dbraw/zinc/30/05/31/911300531.db2.gz LIWMHJVPUOKKAX-QWHCGFSZSA-N 2 0 267.373 1.045 10 0 CDAERP CC(C)[NH2+]C[C@@H](NC(=O)C[N@H+](C)C(C)C)C1CC1 ZINC001483606267 911311938 /nfs/dbraw/zinc/31/19/38/911311938.db2.gz BZHCFYOXOUVPIU-CYBMUJFWSA-N 2 0 255.406 1.219 10 0 CDAERP O=C(NCC[NH2+]C1CCCCCC1)C12CC[NH+](CC1)C2 ZINC000715802325 921695366 /nfs/dbraw/zinc/69/53/66/921695366.db2.gz SBMOZYISGDFEQL-UHFFFAOYSA-N 2 0 279.428 1.511 10 0 CDAERP O=C(N1CCC[C@@H]1C[NH2+]C/C=C\Cl)C12CC[NH+](CC1)C2 ZINC001568149981 1169148088 /nfs/dbraw/zinc/14/80/88/1169148088.db2.gz KAEQYZPLXAFVIL-IUAZIXFQSA-N 2 0 297.830 1.415 10 0 CDAERP C[NH+](C)CC1(C(=O)N2CCC[C@@H]2C[NH2+]C/C=C/Cl)CC1 ZINC001483941892 915217772 /nfs/dbraw/zinc/21/77/72/915217772.db2.gz GXBIEGLROVNVDN-FLUIGGAXSA-N 2 0 299.846 1.661 10 0 CDAERP C1=C[C@@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@H]2CO[C@@H]1C2 ZINC000922717057 921766948 /nfs/dbraw/zinc/76/69/48/921766948.db2.gz GKQLFIXBNMPZAH-GCSSGZNBSA-N 2 0 262.397 1.794 10 0 CDAERP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C[NH2+]CCF ZINC001484383738 915702790 /nfs/dbraw/zinc/70/27/90/915702790.db2.gz CGTDBPZDJAEMCY-CABCVRRESA-N 2 0 299.434 1.516 10 0 CDAERP CCC[NH2+]CCN(CCO)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001484482647 915808633 /nfs/dbraw/zinc/80/86/33/915808633.db2.gz RTXWLJGPWSERNQ-UHFFFAOYSA-N 2 0 299.459 1.071 10 0 CDAERP CC(C)[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001485085117 916480348 /nfs/dbraw/zinc/48/03/48/916480348.db2.gz YZMROZKNASCGLD-HOTGVXAUSA-N 2 0 295.471 1.907 10 0 CDAERP CCC[NH2+][C@H](C)[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001485207283 916670255 /nfs/dbraw/zinc/67/02/55/916670255.db2.gz LRGDRQALKXMTAH-KGLIPLIRSA-N 2 0 283.460 2.000 10 0 CDAERP C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH+](C)CC1CC1 ZINC001485312885 916794200 /nfs/dbraw/zinc/79/42/00/916794200.db2.gz JKHPXTCRSBNJPI-UKRRQHHQSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[N@H+](C)CCC1CC1 ZINC001485304638 916817768 /nfs/dbraw/zinc/81/77/68/916817768.db2.gz YUWLEIWVSVJBMX-CZUORRHYSA-N 2 0 293.455 1.565 10 0 CDAERP CCCC[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001485348801 916869016 /nfs/dbraw/zinc/86/90/16/916869016.db2.gz BFPUUHLWTFDXOD-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N2CCC(C)([NH2+]CCCF)CC2)C1 ZINC001328037727 936391279 /nfs/dbraw/zinc/39/12/79/936391279.db2.gz ANBBXVHMEOFMGN-CQSZACIVSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)=CC[NH+]1CC([C@@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001485540025 917069292 /nfs/dbraw/zinc/06/92/92/917069292.db2.gz QGEZNLBCEIODSW-CQSZACIVSA-N 2 0 281.444 1.729 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001263810357 936514676 /nfs/dbraw/zinc/51/46/76/936514676.db2.gz WCZXEMHWYXINFY-AWEZNQCLSA-N 2 0 267.417 1.437 10 0 CDAERP CCCC[NH2+]CC[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001272829776 919862575 /nfs/dbraw/zinc/86/25/75/919862575.db2.gz LWQAJZSNGOPIQF-CYBMUJFWSA-N 2 0 269.433 1.755 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1cncs1 ZINC001485948371 920592653 /nfs/dbraw/zinc/59/26/53/920592653.db2.gz QRGHNTHIFPONKX-GFCCVEGCSA-N 2 0 298.456 1.421 10 0 CDAERP CC(C)CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC001486229672 920817447 /nfs/dbraw/zinc/81/74/47/920817447.db2.gz XXNFMYACEQXLNU-GJZGRUSLSA-N 2 0 295.471 1.953 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)(C)C ZINC001486397548 920965358 /nfs/dbraw/zinc/96/53/58/920965358.db2.gz QHDOPGHRJWDBRK-KGLIPLIRSA-N 2 0 281.444 1.469 10 0 CDAERP CC[NH+]1CC([C@@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001409960858 921964718 /nfs/dbraw/zinc/96/47/18/921964718.db2.gz CNUJXTCMHZIARP-HIFRSBDPSA-N 2 0 281.444 1.563 10 0 CDAERP CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCC1 ZINC001273141732 922868005 /nfs/dbraw/zinc/86/80/05/922868005.db2.gz QXGWBUYRGGTMBO-STQMWFEESA-N 2 0 267.417 1.365 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC=C(C)C)C1)[NH+](C)C ZINC001491056533 936848315 /nfs/dbraw/zinc/84/83/15/936848315.db2.gz XXFAWRWUFPHKCU-MJBXVCDLSA-N 2 0 267.417 1.530 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[NH+](CCCF)CC1(C)C ZINC001410016745 923662045 /nfs/dbraw/zinc/66/20/45/923662045.db2.gz ISRFWJMMTCRPDK-ZDUSSCGKSA-N 2 0 287.423 1.514 10 0 CDAERP CC[C@H](C)C[N@@H+]1CCC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001491128694 936861073 /nfs/dbraw/zinc/86/10/73/936861073.db2.gz DAKPSZPXYMKDBC-JKSUJKDBSA-N 2 0 295.471 1.957 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CCF)C1 ZINC001491189290 936871748 /nfs/dbraw/zinc/87/17/48/936871748.db2.gz ASWXQYXTLYKHPJ-HUUCEWRRSA-N 2 0 299.434 1.659 10 0 CDAERP O=C1NCCC2(CC[NH+](CCC3CC[NH2+]CC3)CC2)O1 ZINC000923528826 923907291 /nfs/dbraw/zinc/90/72/91/923907291.db2.gz YDQFJIGUURVSAE-UHFFFAOYSA-N 2 0 281.400 1.341 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001491261593 936885900 /nfs/dbraw/zinc/88/59/00/936885900.db2.gz YGUIAZTYTKLBNI-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP C[NH+]1CCC(C(=O)N2CCCC[C@H]2C[NH2+]CCF)CC1 ZINC001491261465 936885920 /nfs/dbraw/zinc/88/59/20/936885920.db2.gz UPQRMQSLSSZZLN-AWEZNQCLSA-N 2 0 285.407 1.268 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)CC[NH+](C)C)C1 ZINC001142103635 936974870 /nfs/dbraw/zinc/97/48/70/936974870.db2.gz PYUILZQDQWUNKQ-UONOGXRCSA-N 2 0 269.433 1.515 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CCCC1 ZINC001410508374 925847508 /nfs/dbraw/zinc/84/75/08/925847508.db2.gz WURFRQPFQQWQLZ-DZGCQCFKSA-N 2 0 281.444 1.565 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001488684250 926648575 /nfs/dbraw/zinc/64/85/75/926648575.db2.gz WXGKCJYRRDGDQX-OAHLLOKOSA-N 2 0 293.455 1.805 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2C[C@H]([NH2+]CCCF)C2)C1 ZINC001488872746 926745494 /nfs/dbraw/zinc/74/54/94/926745494.db2.gz NHMKNVCHWIINOV-MGPQQGTHSA-N 2 0 285.407 1.172 10 0 CDAERP CC[N@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)CC(C)C ZINC001437648519 926845559 /nfs/dbraw/zinc/84/55/59/926845559.db2.gz GNXWLNCNPQVEAH-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+][C@H](C)COC)C(C)(C)C1 ZINC001411097079 927008570 /nfs/dbraw/zinc/00/85/70/927008570.db2.gz JBKHXVUFYJILQA-ZIAGYGMSSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C[NH2+]CCCF ZINC001279181293 927095416 /nfs/dbraw/zinc/09/54/16/927095416.db2.gz DTOQBOUIOOZWNV-KGLIPLIRSA-N 2 0 297.418 1.126 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)CC(C)C ZINC001490356097 927155152 /nfs/dbraw/zinc/15/51/52/927155152.db2.gz AWWVBXBHJUZADE-CQSZACIVSA-N 2 0 269.433 1.422 10 0 CDAERP CC[C@H](C)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001274133683 931188915 /nfs/dbraw/zinc/18/89/15/931188915.db2.gz MROQDVAYGPBRLS-KXLSMFKISA-N 2 0 281.444 1.779 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CC1CC1 ZINC001274411959 931497917 /nfs/dbraw/zinc/49/79/17/931497917.db2.gz BVNNGEGGOQEPCH-APHBUQMISA-N 2 0 293.455 1.921 10 0 CDAERP CC[C@H](C(=O)NC/C=C/C[NH2+]CC(C)C)[NH+](C)C ZINC001274507695 931504650 /nfs/dbraw/zinc/50/46/50/931504650.db2.gz GPFHEHWJXNNLPQ-SBDDDAINSA-N 2 0 255.406 1.245 10 0 CDAERP C[C@@H](C[NH2+]CCC1CC1)NC(=O)CC[NH+]1CCCCC1 ZINC001275459527 931806090 /nfs/dbraw/zinc/80/60/90/931806090.db2.gz RMGDNNVDCFUOIS-AWEZNQCLSA-N 2 0 281.444 1.757 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001275542907 931864582 /nfs/dbraw/zinc/86/45/82/931864582.db2.gz WZSLBXHDLMDKEZ-ZIAGYGMSSA-N 2 0 279.428 1.531 10 0 CDAERP [NH3+]CCCCCC[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000846218176 931995870 /nfs/dbraw/zinc/99/58/70/931995870.db2.gz MODLHSQYAKCHTH-HNNXBMFYSA-N 2 0 281.444 1.840 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)CCCCCF ZINC001275793576 932041757 /nfs/dbraw/zinc/04/17/57/932041757.db2.gz UUOUJKGKWQIRDW-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001412392956 932407522 /nfs/dbraw/zinc/40/75/22/932407522.db2.gz PWPPNYHRBNQPRQ-GFCCVEGCSA-N 2 0 283.460 2.000 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001412509161 932461051 /nfs/dbraw/zinc/46/10/51/932461051.db2.gz XNGRZUVACDXRII-HUUCEWRRSA-N 2 0 281.444 1.659 10 0 CDAERP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001412525941 932467528 /nfs/dbraw/zinc/46/75/28/932467528.db2.gz BFKDARQFPOYDIQ-HZPDHXFCSA-N 2 0 295.471 1.907 10 0 CDAERP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N(C)CCCC[NH+](C)C)C[N@@H+]2C1 ZINC001147594184 932550433 /nfs/dbraw/zinc/55/04/33/932550433.db2.gz URWYKSCXAJTBLO-OAGGEKHMSA-N 2 0 295.471 1.907 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](C)N1CCCCC1 ZINC000234788007 932602645 /nfs/dbraw/zinc/60/26/45/932602645.db2.gz IHCLZRXYCHAYRW-KGLIPLIRSA-N 2 0 257.422 1.204 10 0 CDAERP C[NH+](C)CCCC(=O)NC1(C[NH2+]CCF)CCCCC1 ZINC001276219489 932660903 /nfs/dbraw/zinc/66/09/03/932660903.db2.gz WVSDXWKYMYBENW-UHFFFAOYSA-N 2 0 287.423 1.706 10 0 CDAERP CC1(C)[C@@H]([NH2+]CCOC[C@H]2CCCO2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925498975 932893915 /nfs/dbraw/zinc/89/39/15/932893915.db2.gz UPVKIUZFCZTYPB-KBXIAJHMSA-N 2 0 282.428 1.548 10 0 CDAERP [NH3+][C@@H]1CCCCC[C@@H]1NC[C@@H]1C[NH2+]CCC1(F)F ZINC000925777131 932937971 /nfs/dbraw/zinc/93/79/71/932937971.db2.gz OGLQADUBOAJKSN-TUAOUCFPSA-N 2 0 261.360 1.481 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@@H]1C[C@H]3CCC[C@H]3O1)C2 ZINC000720788414 935247817 /nfs/dbraw/zinc/24/78/17/935247817.db2.gz KVFCUHWLSFUYEH-VRPMWHRCSA-N 2 0 250.386 1.756 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH+](C)C)C1(C)C ZINC001413187533 935935451 /nfs/dbraw/zinc/93/54/51/935935451.db2.gz NHTFKBZDUUTQPB-RDBSUJKOSA-N 2 0 281.444 1.706 10 0 CDAERP c1cc(NC2CC[NH+](C[C@H]3CCOC3)CC2)cc[nH+]1 ZINC001120860698 937842718 /nfs/dbraw/zinc/84/27/18/937842718.db2.gz RIVMZAWZSAVYGW-CYBMUJFWSA-N 2 0 261.369 1.416 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC001166876617 939646575 /nfs/dbraw/zinc/64/65/75/939646575.db2.gz SJXQQIRPVPJVOB-ZIAGYGMSSA-N 2 0 269.433 1.422 10 0 CDAERP C[C@H]([NH2+][C@H]1CCCc2c1cnn2C)C1CC[NH2+]CC1 ZINC000400321687 940846852 /nfs/dbraw/zinc/84/68/52/940846852.db2.gz BIQCJRYNJDJSLJ-FZMZJTMJSA-N 2 0 262.401 1.775 10 0 CDAERP CCC[NH+]1CCC([NH2+][C@H](C)C2CC[NH2+]CC2)CC1 ZINC000400743949 940855003 /nfs/dbraw/zinc/85/50/03/940855003.db2.gz LOWAPZDCRQZRNQ-CYBMUJFWSA-N 3 0 253.434 1.839 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)CC[NH+]1CC[C@H](F)C1 ZINC001362034191 970800388 /nfs/dbraw/zinc/80/03/88/970800388.db2.gz ZGUKOVULRQWGIA-STQMWFEESA-N 2 0 273.396 1.267 10 0 CDAERP CC(C)C[N@H+](C[C@H](O)C(C)(C)O)CC1CC[NH+](C)CC1 ZINC001473739346 970839662 /nfs/dbraw/zinc/83/96/62/970839662.db2.gz OTPIVHHNPUMGIS-HNNXBMFYSA-N 2 0 286.460 1.418 10 0 CDAERP C[C@H]1CN(CC[C@@H]2CCC[N@@H+]2C)CCN1c1cnccn1 ZINC001473903492 970893900 /nfs/dbraw/zinc/89/39/00/970893900.db2.gz VPWAGESVCFKLBQ-GJZGRUSLSA-N 2 0 289.427 1.471 10 0 CDAERP CC[C@H](F)C[N@H+]1CC=C(CNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001279636303 942398941 /nfs/dbraw/zinc/39/89/41/942398941.db2.gz JPHXMOVWWUMPBV-GJZGRUSLSA-N 2 0 299.434 1.823 10 0 CDAERP CCCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC001332436416 942415014 /nfs/dbraw/zinc/41/50/14/942415014.db2.gz DNRRZVIXWOMHRP-LSDHHAIUSA-N 2 0 295.471 1.955 10 0 CDAERP CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CCO1 ZINC001280621326 942467909 /nfs/dbraw/zinc/46/79/09/942467909.db2.gz QPZOSOWXHXYLKC-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CC[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)C(C)C ZINC001281966644 942638209 /nfs/dbraw/zinc/63/82/09/942638209.db2.gz AQAFTDVTVMKNPN-CYBMUJFWSA-N 2 0 255.406 1.269 10 0 CDAERP CCC[NH2+][C@@H](C)[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001282206298 942678247 /nfs/dbraw/zinc/67/82/47/942678247.db2.gz KDSSAQIRDXUEFB-KBPBESRZSA-N 2 0 269.433 1.611 10 0 CDAERP CCC[NH2+]C[C@H](NC(=O)CCc1c[nH]cn1)C(C)(C)C ZINC001284597143 943220477 /nfs/dbraw/zinc/22/04/77/943220477.db2.gz FOBYLPKLTYOMNX-ZDUSSCGKSA-N 2 0 280.416 1.873 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)OCCC[NH+]1CCO[C@H](C)C1 ZINC001263605131 943909683 /nfs/dbraw/zinc/90/96/83/943909683.db2.gz OSRNIPITKOJIDI-HUUCEWRRSA-N 2 0 298.427 1.513 10 0 CDAERP CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001263817674 943986713 /nfs/dbraw/zinc/98/67/13/943986713.db2.gz ZQBHDJINNBHAEC-KGLIPLIRSA-N 2 0 267.417 1.271 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001265301501 944334423 /nfs/dbraw/zinc/33/44/23/944334423.db2.gz LUXNDLXZIHPGOT-QWHCGFSZSA-N 2 0 255.406 1.175 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001265485129 944406146 /nfs/dbraw/zinc/40/61/46/944406146.db2.gz YJBIFJDHMDAFRX-SHTZXODSSA-N 2 0 293.455 1.899 10 0 CDAERP C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCCF)C1)[NH+]1CCCCCC1 ZINC001265497982 944408867 /nfs/dbraw/zinc/40/88/67/944408867.db2.gz ZBRBWAQFCHDIRB-RBSFLKMASA-N 2 0 299.434 1.847 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCCC(C)C)C1)[NH+](C)C ZINC001265503064 944411558 /nfs/dbraw/zinc/41/15/58/944411558.db2.gz HWBUMIDHYJKYQU-RBSFLKMASA-N 2 0 283.460 2.000 10 0 CDAERP CC/C=C/CC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001265809022 944517289 /nfs/dbraw/zinc/51/72/89/944517289.db2.gz PVCCTGXNDVPHCD-QAMKJQMISA-N 2 0 267.417 1.531 10 0 CDAERP C[NH+](C)C1(C(=O)N2CC[C@@H](C[NH2+]CCC3CC3)C2)CCC1 ZINC001265983036 944614596 /nfs/dbraw/zinc/61/45/96/944614596.db2.gz LTTANIGYGKOSOA-HNNXBMFYSA-N 2 0 293.455 1.709 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@H](C[NH2+]CCF)C2)C1 ZINC001266009729 944627803 /nfs/dbraw/zinc/62/78/03/944627803.db2.gz XXHPASPWJXKATA-LSDHHAIUSA-N 2 0 299.434 1.516 10 0 CDAERP CCC[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001266023130 944637216 /nfs/dbraw/zinc/63/72/16/944637216.db2.gz FULSDGCESKDGDJ-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP CCCCC[NH2+]C1CC(N(C)C(=O)Cn2ccnc2C)C1 ZINC001279321695 944794475 /nfs/dbraw/zinc/79/44/75/944794475.db2.gz FIHFGAHFEGWKRY-UHFFFAOYSA-N 2 0 292.427 1.961 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+]2CC[C@H](F)C2)C1 ZINC001362307952 971140670 /nfs/dbraw/zinc/14/06/70/971140670.db2.gz ZZHAEUWEGTWMGX-GJZGRUSLSA-N 2 0 299.434 1.611 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001479263938 971278610 /nfs/dbraw/zinc/27/86/10/971278610.db2.gz IHGHWAUWXOGPQV-HNNXBMFYSA-N 2 0 279.428 1.581 10 0 CDAERP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001362438071 971272096 /nfs/dbraw/zinc/27/20/96/971272096.db2.gz HAFAIAGKQXPVFO-RBSFLKMASA-N 2 0 297.418 1.506 10 0 CDAERP CCN1CC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001362527211 971371676 /nfs/dbraw/zinc/37/16/76/971371676.db2.gz FIIJBMLXTLTOSI-LSDHHAIUSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CCCF)CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001278409751 947729177 /nfs/dbraw/zinc/72/91/77/947729177.db2.gz LCNCUTKMQGGCSH-HUUCEWRRSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001278415274 947813969 /nfs/dbraw/zinc/81/39/69/947813969.db2.gz GRSZPIWDBOZQLD-LSDHHAIUSA-N 2 0 291.439 1.627 10 0 CDAERP C[N@H+](CCCNC(=O)C[NH+]1CCCC1)C[C@H]1CCCCO1 ZINC001479812947 971434432 /nfs/dbraw/zinc/43/44/32/971434432.db2.gz UGLQRCCXXGJJJI-OAHLLOKOSA-N 2 0 297.443 1.089 10 0 CDAERP CC/C=C/CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001569002037 1169588610 /nfs/dbraw/zinc/58/86/10/1169588610.db2.gz CLJHJKWQKGRART-XEVLESSRSA-N 2 0 281.444 1.921 10 0 CDAERP C[C@H](C[NH2+]CCc1ccccc1)NC(=O)CC[NH+](C)C ZINC001569015883 1169595391 /nfs/dbraw/zinc/59/53/91/1169595391.db2.gz DHZHENMKVGFVCP-CQSZACIVSA-N 2 0 277.412 1.275 10 0 CDAERP C[C@H](C[NH2+]CC1=CCCCC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001569030240 1169603113 /nfs/dbraw/zinc/60/31/13/1169603113.db2.gz JNBMAIXMSAGNMK-GDBMZVCRSA-N 2 0 293.455 1.923 10 0 CDAERP CC[C@@H](F)C[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001480065966 971560218 /nfs/dbraw/zinc/56/02/18/971560218.db2.gz VSWHCZVLZLKGHN-KGLIPLIRSA-N 2 0 285.407 1.315 10 0 CDAERP CCC(CC)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001569036062 1169607237 /nfs/dbraw/zinc/60/72/37/1169607237.db2.gz KWFQLNUOCLLLBD-TZMCWYRMSA-N 2 0 269.433 1.469 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]1C ZINC001278527075 949741595 /nfs/dbraw/zinc/74/15/95/949741595.db2.gz OYVUAJANHDDTGM-KGLIPLIRSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+](C(C)C)C1 ZINC001362786732 971619712 /nfs/dbraw/zinc/61/97/12/971619712.db2.gz PTCJRPMWDJMNSN-GJZGRUSLSA-N 2 0 283.460 1.952 10 0 CDAERP CC(C)CCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001480619506 971811247 /nfs/dbraw/zinc/81/12/47/971811247.db2.gz GJFINXRFZSGZIV-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC[C@@H](C)[NH2+]C(C)C)CC[N@@H+]1C ZINC001480765947 971869222 /nfs/dbraw/zinc/86/92/22/971869222.db2.gz ZIMCFDDSQMCYLR-HZSPNIEDSA-N 2 0 269.433 1.610 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]3[C@H](CC[NH+]3C)C2)C1 ZINC001363567418 953465403 /nfs/dbraw/zinc/46/54/03/953465403.db2.gz ATJUNMFYYWAHBY-PMPSAXMXSA-N 2 0 293.455 1.659 10 0 CDAERP CC(C)[NH2+]C[C@@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001324783740 953573776 /nfs/dbraw/zinc/57/37/76/953573776.db2.gz NXGMAFQRYDELQF-CQSZACIVSA-N 2 0 255.406 1.175 10 0 CDAERP CC/C=C/CC[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001316641274 953629762 /nfs/dbraw/zinc/62/97/62/953629762.db2.gz JENNQLNCWYKJAI-VKLSIXJOSA-N 2 0 293.455 1.923 10 0 CDAERP Cn1cnnc1CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001363830269 953879629 /nfs/dbraw/zinc/87/96/29/953879629.db2.gz FCSFWNTUZWENCY-HNNXBMFYSA-N 2 0 291.443 1.554 10 0 CDAERP C[NH+]1CCC(C(=O)N2CC[C@H](CC[NH2+]CCF)C2)CC1 ZINC001326352876 954337765 /nfs/dbraw/zinc/33/77/65/954337765.db2.gz PDUBQYYBDCXMCT-ZDUSSCGKSA-N 2 0 285.407 1.126 10 0 CDAERP CN(CC[NH+](C)C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001294236100 954479547 /nfs/dbraw/zinc/47/95/47/954479547.db2.gz QKKANSDEUBWWIZ-CHWSQXEVSA-N 2 0 255.406 1.127 10 0 CDAERP CC(C)(O)[C@H](O)C[NH+]1CCC(Nc2ccccn2)CC1 ZINC001364381639 954526259 /nfs/dbraw/zinc/52/62/59/954526259.db2.gz LRDGWLSQSQWDCU-CYBMUJFWSA-N 2 0 279.384 1.090 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](CC3CCCC3)C[C@@H]2C1 ZINC001421569494 955413945 /nfs/dbraw/zinc/41/39/45/955413945.db2.gz CUYLGHGYNBABCH-IYBDPMFKSA-N 2 0 293.455 1.519 10 0 CDAERP CCCCC[NH2+]CCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001569203511 1169719415 /nfs/dbraw/zinc/71/94/15/1169719415.db2.gz WHJFPNRXVYETDX-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP CC[N@H+](C)[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001491959883 955545753 /nfs/dbraw/zinc/54/57/53/955545753.db2.gz QIJPIOJIMGULNZ-AWEZNQCLSA-N 2 0 269.433 1.661 10 0 CDAERP C[C@H](F)CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001421847609 955589918 /nfs/dbraw/zinc/58/99/18/955589918.db2.gz GSDLRIWNFYUVAB-KBPBESRZSA-N 2 0 299.434 1.705 10 0 CDAERP CC/C=C/CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001492068169 955604151 /nfs/dbraw/zinc/60/41/51/955604151.db2.gz VXVGKOXLARCJMM-ICWYTKJFSA-N 2 0 281.444 1.921 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)C1 ZINC001363359109 972112092 /nfs/dbraw/zinc/11/20/92/972112092.db2.gz VWWYGINTSKWQRG-ZOBUZTSGSA-N 2 0 293.455 1.661 10 0 CDAERP C[C@H](CCNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CCCF ZINC001492110157 955633125 /nfs/dbraw/zinc/63/31/25/955633125.db2.gz ANIKCPNZAYBWDJ-CHWSQXEVSA-N 2 0 273.396 1.172 10 0 CDAERP CN(CCC[N@H+](C)CCC1CC1)C(=O)C[NH+]1CCCC1 ZINC001421899512 955642387 /nfs/dbraw/zinc/64/23/87/955642387.db2.gz CCLOPWBJEDHBTJ-UHFFFAOYSA-N 2 0 281.444 1.663 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC23CCC[NH+](CCC2)C3)CC[N@@H+]1C ZINC001363365504 972116547 /nfs/dbraw/zinc/11/65/47/972116547.db2.gz RBTOPUXJSAHKKJ-LSDHHAIUSA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH+](C)CC[C@@H]1CCOC1 ZINC001422227629 955866599 /nfs/dbraw/zinc/86/65/99/955866599.db2.gz CAEAPJRCYNXUPS-OAHLLOKOSA-N 2 0 299.459 1.143 10 0 CDAERP C[C@@H](C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)n1ccnc1 ZINC001329569724 955991367 /nfs/dbraw/zinc/99/13/67/955991367.db2.gz OWTWTXJWAYXWDH-JSGCOSHPSA-N 2 0 262.357 1.046 10 0 CDAERP CC(C)[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001365517261 956112665 /nfs/dbraw/zinc/11/26/65/956112665.db2.gz DURUTZRVIFBQKF-GJZGRUSLSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001317344883 956195565 /nfs/dbraw/zinc/19/55/65/956195565.db2.gz VQCVHQFUJOVINY-ZIAGYGMSSA-N 2 0 285.407 1.268 10 0 CDAERP CC(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001422703042 956273298 /nfs/dbraw/zinc/27/32/98/956273298.db2.gz OONOQZJNTFAMIJ-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H](C)C1C[NH+](C(C)C)C1)[NH+]1CCCC1 ZINC001422760022 956312624 /nfs/dbraw/zinc/31/26/24/956312624.db2.gz HVBPLGXUJIWFSV-GDBMZVCRSA-N 2 0 295.471 1.952 10 0 CDAERP C(c1noc([C@@H]2CCCCC[NH2+]2)n1)C1CC[NH2+]CC1 ZINC001339319998 956459687 /nfs/dbraw/zinc/45/96/87/956459687.db2.gz QBGPVCWPGINBHQ-LBPRGKRZSA-N 2 0 264.373 1.816 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC12CC[NH+](C(C)C)CC2 ZINC001366010912 956508669 /nfs/dbraw/zinc/50/86/69/956508669.db2.gz CJPUYSLAAUWBSR-AWEZNQCLSA-N 2 0 281.444 1.706 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N[C@H](C[NH2+]CC2CCC2)C2CC2)C1 ZINC001423053990 956546174 /nfs/dbraw/zinc/54/61/74/956546174.db2.gz ZKWVKFHIWWNUBP-GDBMZVCRSA-N 2 0 293.455 1.613 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001366120561 956580340 /nfs/dbraw/zinc/58/03/40/956580340.db2.gz MYKPISRWSBJAHU-AVGNSLFASA-N 2 0 285.407 1.313 10 0 CDAERP CC[C@@H](C)C[NH2+][C@@H](C)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001423110054 956593653 /nfs/dbraw/zinc/59/36/53/956593653.db2.gz PUHJVPNAZKMXBY-KGLIPLIRSA-N 2 0 283.460 1.811 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCC(C)(C)C)C2)C1 ZINC001366165960 956614209 /nfs/dbraw/zinc/61/42/09/956614209.db2.gz QBDKGRKRMSBFOR-MELADBBJSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]CC1CCOCC1 ZINC001423168280 956642222 /nfs/dbraw/zinc/64/22/22/956642222.db2.gz FMRLADOGAPFKRJ-CQSZACIVSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CC1CC1 ZINC001366281617 956708598 /nfs/dbraw/zinc/70/85/98/956708598.db2.gz BYJQQHGKXAIQOY-CJNGLKHVSA-N 2 0 293.455 1.898 10 0 CDAERP CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001330988729 956743937 /nfs/dbraw/zinc/74/39/37/956743937.db2.gz PIFNNHBNVXXWQQ-UONOGXRCSA-N 2 0 269.433 1.755 10 0 CDAERP Cc1nc(C)c(C[NH2+][C@@H](C)CNC(=O)CC[NH+](C)C)s1 ZINC001366328101 956750482 /nfs/dbraw/zinc/75/04/82/956750482.db2.gz VOQCZSXPNOWPCA-JTQLQIEISA-N 2 0 298.456 1.306 10 0 CDAERP CC[C@@H](C(=O)NC[C@@H](C)[NH2+]CCC(C)(C)C)[NH+](C)C ZINC001366349249 956763506 /nfs/dbraw/zinc/76/35/06/956763506.db2.gz AUHICNAHYJMZEV-OLZOCXBDSA-N 2 0 271.449 1.857 10 0 CDAERP CC[C@@H](C(=O)NC[C@@H](C)[NH2+]CCc1ccns1)[NH+](C)C ZINC001366354719 956765409 /nfs/dbraw/zinc/76/54/09/956765409.db2.gz ROSNPSRSWYULAM-YPMHNXCESA-N 2 0 298.456 1.120 10 0 CDAERP Cc1noc(C)c1C[NH2+][C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001366368777 956775109 /nfs/dbraw/zinc/77/51/09/956775109.db2.gz RGSGCKRHHAPQCK-LLVKDONJSA-N 2 0 296.415 1.226 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CCCC1 ZINC001423535394 956834068 /nfs/dbraw/zinc/83/40/68/956834068.db2.gz XSFUCPSSMOMRHX-HIFRSBDPSA-N 2 0 281.444 1.613 10 0 CDAERP CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001423645743 956915058 /nfs/dbraw/zinc/91/50/58/956915058.db2.gz OATHQIREBCNPAE-UKRRQHHQSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC1CCC1 ZINC001331407705 957031024 /nfs/dbraw/zinc/03/10/24/957031024.db2.gz SZBBMVQANMLLPZ-JSGCOSHPSA-N 2 0 267.417 1.317 10 0 CDAERP COCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001316882556 957087654 /nfs/dbraw/zinc/08/76/54/957087654.db2.gz ZPWQFIRDOBSEKY-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP CC[N@H+](CCF)CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001316905386 957110538 /nfs/dbraw/zinc/11/05/38/957110538.db2.gz SKBCKYZYVGVSGN-UHFFFAOYSA-N 2 0 287.423 1.516 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001366702502 957123217 /nfs/dbraw/zinc/12/32/17/957123217.db2.gz NLMKSAHQCRDYTD-HUUCEWRRSA-N 2 0 281.444 1.709 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCCCCF)C2)C1 ZINC001317092387 957265880 /nfs/dbraw/zinc/26/58/80/957265880.db2.gz GBCJOERHXRSPRC-MGPQQGTHSA-N 2 0 285.407 1.315 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001317108338 957276423 /nfs/dbraw/zinc/27/64/23/957276423.db2.gz BXWMBCLPLQYFEF-XHSDSOJGSA-N 2 0 291.439 1.531 10 0 CDAERP C[C@@H](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CCC1CC1 ZINC001424573561 957277614 /nfs/dbraw/zinc/27/76/14/957277614.db2.gz CVBBCFVPYCSJLV-BBRMVZONSA-N 2 0 293.455 1.613 10 0 CDAERP O=C(N1CCC[C@H](C[NH2+]CCCF)C1)C12CC[NH+](CC1)C2 ZINC001317162024 957314597 /nfs/dbraw/zinc/31/45/97/957314597.db2.gz KZEFIHMOOWHWOP-CQSZACIVSA-N 2 0 297.418 1.270 10 0 CDAERP O=C([C@H]1C[NH+]2CCC1CC2)N1CCCC[C@@H]1C[NH2+]CCF ZINC001317186009 957332531 /nfs/dbraw/zinc/33/25/31/957332531.db2.gz FUYDSEUJSGVRRH-CABCVRRESA-N 2 0 297.418 1.268 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCF)C[C@@H]2C1 ZINC001425386061 957523554 /nfs/dbraw/zinc/52/35/54/957523554.db2.gz XIXZQZHZPPSSQP-MELADBBJSA-N 2 0 285.407 1.124 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001425897480 957636823 /nfs/dbraw/zinc/63/68/23/957636823.db2.gz DOBAJFDDHOABEK-DZKIICNBSA-N 2 0 299.434 1.799 10 0 CDAERP CCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC ZINC001332782603 957835425 /nfs/dbraw/zinc/83/54/25/957835425.db2.gz HVFNFJGBKXGBIG-KBPBESRZSA-N 2 0 267.417 1.461 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001367243228 957873875 /nfs/dbraw/zinc/87/38/75/957873875.db2.gz QLZFXINPYZFION-UKRRQHHQSA-N 2 0 281.444 1.326 10 0 CDAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1([NH2+]CCF)CCCC1 ZINC001367330444 957935382 /nfs/dbraw/zinc/93/53/82/957935382.db2.gz MODKIQWMSVXXSZ-KBPBESRZSA-N 2 0 299.434 1.847 10 0 CDAERP C[C@H](F)CC[NH+]1CC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001367332510 957936741 /nfs/dbraw/zinc/93/67/41/957936741.db2.gz BZTIGVLXDVKSLZ-AWEZNQCLSA-N 2 0 299.434 1.611 10 0 CDAERP CCc1ccc2c(c1)CCN(C[C@@H](O)C[N@@H+](C)CC)C2 ZINC001414064796 958342629 /nfs/dbraw/zinc/34/26/29/958342629.db2.gz YEKMMUAAZWWMIC-KRWDZBQOSA-N 2 0 276.424 1.920 10 0 CDAERP COC[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001367882711 958451847 /nfs/dbraw/zinc/45/18/47/958451847.db2.gz OLRDOHQTWHUDQA-KGLIPLIRSA-N 2 0 299.459 1.332 10 0 CDAERP CCC[NH2+]C[C@@H](C)N(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001319560578 958631978 /nfs/dbraw/zinc/63/19/78/958631978.db2.gz MHNUAQLTHQIDMD-CQSZACIVSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1[NH2+]CCCF ZINC001319694107 958687810 /nfs/dbraw/zinc/68/78/10/958687810.db2.gz FTDAKSVNITYYEA-DZGCQCFKSA-N 2 0 299.434 1.514 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CCOC)C1 ZINC001319827715 958742658 /nfs/dbraw/zinc/74/26/58/958742658.db2.gz SKQYVBIZFISOSH-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP CCCC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001368381841 958799858 /nfs/dbraw/zinc/79/98/58/958799858.db2.gz TYFSRZNFLWOZQY-GOEBONIOSA-N 2 0 299.459 1.070 10 0 CDAERP CC[NH2+][C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001319955168 958814665 /nfs/dbraw/zinc/81/46/65/958814665.db2.gz CJFZJUIFIRCTDG-QWHCGFSZSA-N 2 0 255.406 1.079 10 0 CDAERP CCCC[N@H+](C)CCCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001368561394 958967547 /nfs/dbraw/zinc/96/75/47/958967547.db2.gz HNYKZHGATFEZST-OAHLLOKOSA-N 2 0 283.460 1.909 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH]cn2)[C@H]1C ZINC001368785863 959123536 /nfs/dbraw/zinc/12/35/36/959123536.db2.gz QWJASBFGZBXVLQ-BZPMIXESSA-N 2 0 278.400 1.577 10 0 CDAERP CC[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CCO)[NH+](CC)CC ZINC001368805032 959147273 /nfs/dbraw/zinc/14/72/73/959147273.db2.gz XYDWRGGHTNNQPJ-CABCVRRESA-N 2 0 299.459 1.022 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccns1)[NH+](C)C ZINC001320464884 959188250 /nfs/dbraw/zinc/18/82/50/959188250.db2.gz VFAAQWFPZDTQDN-DGCLKSJQSA-N 2 0 298.456 1.468 10 0 CDAERP C[C@H](CC[NH2+]C[C@H]1CC(C)(C)CO1)NC(=O)CC[NH+](C)C ZINC001320542446 959232698 /nfs/dbraw/zinc/23/26/98/959232698.db2.gz IBCAJYGAZZFVDJ-ZIAGYGMSSA-N 2 0 299.459 1.238 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)C1C[NH+](CC2CCC2)C1 ZINC001369087962 959450442 /nfs/dbraw/zinc/45/04/42/959450442.db2.gz ARVDVRKCAWLEIZ-CYBMUJFWSA-N 2 0 281.444 1.563 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C1C[NH+](CC2CC2)C1)[NH+](CC)CC ZINC001369093606 959451078 /nfs/dbraw/zinc/45/10/78/959451078.db2.gz NRXMQFBCPYDZCD-XJKSGUPXSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)C[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001369110944 959466430 /nfs/dbraw/zinc/46/64/30/959466430.db2.gz CBMQVCIEHBTVGZ-CQSZACIVSA-N 2 0 295.471 1.811 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]CC[C@H](C)F ZINC001369314489 959624624 /nfs/dbraw/zinc/62/46/24/959624624.db2.gz QEOHVFRQPUNYDC-QWHCGFSZSA-N 2 0 275.412 1.511 10 0 CDAERP CCCC[NH2+]C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001321567703 959855103 /nfs/dbraw/zinc/85/51/03/959855103.db2.gz MBDQWZUMXZYAHD-CYBMUJFWSA-N 2 0 267.417 1.509 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC=C(Cl)Cl)C1 ZINC001370525149 960137500 /nfs/dbraw/zinc/13/75/00/960137500.db2.gz ZFGDLYUXXCHBIF-MGCOHNPYSA-N 2 0 294.226 1.494 10 0 CDAERP COc1cccc(C[NH2+][C@H](C)CNC(=O)CC[NH+](C)C)c1 ZINC001371353398 972485494 /nfs/dbraw/zinc/48/54/94/972485494.db2.gz UTGITUZIKUAHPA-CYBMUJFWSA-N 2 0 293.411 1.241 10 0 CDAERP COC[C@H](C)[N@@H+]1CCC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001370788921 960201680 /nfs/dbraw/zinc/20/16/80/960201680.db2.gz JMPOBYYOQSWAOY-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)C[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C1CC1 ZINC001323066029 960430329 /nfs/dbraw/zinc/43/03/29/960430329.db2.gz MCLBEIPCFYEHNG-ZDUSSCGKSA-N 2 0 255.406 1.079 10 0 CDAERP C[C@@H]1CCC[N@H+](CCNC(=O)CC[NH+]2CC[C@@H](F)C2)C1 ZINC001433609911 960446497 /nfs/dbraw/zinc/44/64/97/960446497.db2.gz VKDGOOKOYIWKPZ-ZIAGYGMSSA-N 2 0 285.407 1.268 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+]2CC[C@@H](F)C2)[C@@H](C)C1 ZINC001433724395 960554940 /nfs/dbraw/zinc/55/49/40/960554940.db2.gz IBWPPXVAGYSNMY-ZNMIVQPWSA-N 2 0 299.434 1.609 10 0 CDAERP CC[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC1CC1)[NH+](C)C ZINC001418624327 960819961 /nfs/dbraw/zinc/81/99/61/960819961.db2.gz ZBOCEGYTZLGFTE-LSDHHAIUSA-N 2 0 281.444 1.659 10 0 CDAERP CCC[NH2+]C1(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001323617474 960863093 /nfs/dbraw/zinc/86/30/93/960863093.db2.gz XTESHQQDYMCLRU-STQMWFEESA-N 2 0 267.417 1.508 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H]3C[NH+](C)C[C@@H]32)C1 ZINC001434025584 960902401 /nfs/dbraw/zinc/90/24/01/960902401.db2.gz ZPQHQIULYFZEHQ-ILXRZTDVSA-N 2 0 279.428 1.269 10 0 CDAERP CO[C@@H](C)C[NH2+][C@H]1CCCCCN(C(=O)CC[NH+](C)C)C1 ZINC001418784834 961017159 /nfs/dbraw/zinc/01/71/59/961017159.db2.gz BMPPGLYQFNHOJG-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC001434223931 961098862 /nfs/dbraw/zinc/09/88/62/961098862.db2.gz HPDWZZNAXOCIQB-LJISPDSOSA-N 2 0 293.455 1.848 10 0 CDAERP CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001419076872 961347270 /nfs/dbraw/zinc/34/72/70/961347270.db2.gz PBBUFSJJPQQPBG-CYBMUJFWSA-N 2 0 281.444 1.850 10 0 CDAERP CC[C@H](C)C[NH2+][C@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001419279789 961575592 /nfs/dbraw/zinc/57/55/92/961575592.db2.gz DLHZVHDBOQTUQH-XJKSGUPXSA-N 2 0 295.471 1.859 10 0 CDAERP O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@H]([NH2+]C/C=C/Cl)C1 ZINC001419367320 961636050 /nfs/dbraw/zinc/63/60/50/961636050.db2.gz AFYZZRLVIQPEGL-IKAAVLPNSA-N 2 0 297.830 1.271 10 0 CDAERP CC(C)[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001419452291 961720277 /nfs/dbraw/zinc/72/02/77/961720277.db2.gz UJFBNGLECIJTLL-CABCVRRESA-N 2 0 281.444 1.659 10 0 CDAERP C[C@H]([NH2+]CCF)[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001419832118 962141388 /nfs/dbraw/zinc/14/13/88/962141388.db2.gz OZYVHCKIPFJJNN-UONOGXRCSA-N 2 0 297.418 1.268 10 0 CDAERP C[C@H]([NH2+]CCF)[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001419832107 962141465 /nfs/dbraw/zinc/14/14/65/962141465.db2.gz OZYVHCKIPFJJNN-KBPBESRZSA-N 2 0 297.418 1.268 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1CC1CC1 ZINC001436437510 962255317 /nfs/dbraw/zinc/25/53/17/962255317.db2.gz FVMBEPGRELNPSL-LSDHHAIUSA-N 2 0 281.444 1.707 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]([NH2+]C/C=C/Cl)C2CC2)C1 ZINC001436824186 962437307 /nfs/dbraw/zinc/43/73/07/962437307.db2.gz CNVXKNVTAYVHSH-MFNRBIAXSA-N 2 0 285.819 1.175 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001436924138 962501286 /nfs/dbraw/zinc/50/12/86/962501286.db2.gz DUYXMEPEPITYNF-ZOBUZTSGSA-N 2 0 293.455 1.755 10 0 CDAERP CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCC[NH+](C)C)C1 ZINC001436945761 962516975 /nfs/dbraw/zinc/51/69/75/962516975.db2.gz QHOQZGYSATYDTH-GJZGRUSLSA-N 2 0 281.444 1.661 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001436954217 962521743 /nfs/dbraw/zinc/52/17/43/962521743.db2.gz UVVNSPVMSTVLCI-DBBWJUADSA-N 2 0 299.846 1.849 10 0 CDAERP CCCc1ccc(CN2CC[NH2+]CC[NH2+]CC2)cc1 ZINC001339933530 962634920 /nfs/dbraw/zinc/63/49/20/962634920.db2.gz PITRVQHRCURXME-UHFFFAOYSA-N 2 0 261.413 1.634 10 0 CDAERP CC(C)OCC[N@H+](C)CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001420351275 962778250 /nfs/dbraw/zinc/77/82/50/962778250.db2.gz XJCPPAYAFNFFRV-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ocnc1C)[NH+](C)C ZINC001437418606 962874137 /nfs/dbraw/zinc/87/41/37/962874137.db2.gz NUMGMHUMDOODQJ-YPMHNXCESA-N 2 0 296.415 1.308 10 0 CDAERP CC[N@H+](CCNC(=O)Cn1ccnc1)CCC(C)(C)C ZINC001420455064 962925572 /nfs/dbraw/zinc/92/55/72/962925572.db2.gz YGSCFZRUWHIOHI-UHFFFAOYSA-N 2 0 280.416 1.757 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH+](C)CCC1CC1 ZINC001437566731 963021421 /nfs/dbraw/zinc/02/14/21/963021421.db2.gz STCUSQUPMXYFFK-OKILXGFUSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H](CN(C)CC=C(Cl)Cl)NC(=O)CC[NH+](C)C ZINC001420621231 963129577 /nfs/dbraw/zinc/12/95/77/963129577.db2.gz RZJYYSMBCHNUCL-JTQLQIEISA-N 2 0 296.242 1.694 10 0 CDAERP C[C@@H]([NH2+]CCC1CC1)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001437852266 963210671 /nfs/dbraw/zinc/21/06/71/963210671.db2.gz NEVIPEIRQZXWJN-CQSZACIVSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H]([NH2+]CCF)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001420763838 963228478 /nfs/dbraw/zinc/22/84/78/963228478.db2.gz YJBCWYNGFLHOPH-UONOGXRCSA-N 2 0 299.434 1.514 10 0 CDAERP CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]CCC1CC1 ZINC001439514958 963782398 /nfs/dbraw/zinc/78/23/98/963782398.db2.gz NOHKTGWLGFSZPV-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]CC2CCC2)C1 ZINC001440124988 963932636 /nfs/dbraw/zinc/93/26/36/963932636.db2.gz PQUNKIVTYHXNCR-GOEBONIOSA-N 2 0 295.471 1.953 10 0 CDAERP C[NH+](C)CCCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CC1 ZINC001440188712 963943922 /nfs/dbraw/zinc/94/39/22/963943922.db2.gz IAAPQCCIKDSRPI-CVEARBPZSA-N 2 0 293.455 1.804 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CCC1 ZINC001440325787 963988649 /nfs/dbraw/zinc/98/86/49/963988649.db2.gz VQKAJOUEPGJBMG-CYBMUJFWSA-N 2 0 299.434 1.847 10 0 CDAERP CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CCF)C1)[NH+](C)C ZINC001440408218 964025270 /nfs/dbraw/zinc/02/52/70/964025270.db2.gz ZCGZFIVCXPTXPS-YNEHKIRRSA-N 2 0 273.396 1.171 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH+](C)CCOC ZINC001440520358 964100971 /nfs/dbraw/zinc/10/09/71/964100971.db2.gz RYDHAMBQOUGMKA-HNNXBMFYSA-N 2 0 299.459 1.288 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001569383099 1169834250 /nfs/dbraw/zinc/83/42/50/1169834250.db2.gz KSEOKHHKCOABOQ-NHZBNJEXSA-N 2 0 279.428 1.629 10 0 CDAERP CC(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001440833668 964203392 /nfs/dbraw/zinc/20/33/92/964203392.db2.gz UCDJPIDGIYPRFA-KBPBESRZSA-N 2 0 283.460 2.000 10 0 CDAERP CCCC[NH+]1CC([C@@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001441180018 964407185 /nfs/dbraw/zinc/40/71/85/964407185.db2.gz AROFWYUQTYLUNH-UONOGXRCSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC[C@@H](C)F)C1 ZINC001441493637 964550430 /nfs/dbraw/zinc/55/04/30/964550430.db2.gz SHQBVRBNOXBPSQ-KBXIAJHMSA-N 2 0 299.434 1.844 10 0 CDAERP Cc1cc(C[NH2+][C@@H](C)CN(C)C(=O)CC[NH+](C)C)cs1 ZINC001441588843 964605158 /nfs/dbraw/zinc/60/51/58/964605158.db2.gz ILNXEBQXAHYKIB-LBPRGKRZSA-N 2 0 297.468 1.945 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+](CCC(C)C)C1 ZINC001442908896 965274629 /nfs/dbraw/zinc/27/46/29/965274629.db2.gz QVEUHKLGAUZOGZ-HNNXBMFYSA-N 2 0 283.460 1.812 10 0 CDAERP C[C@@H](F)CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001443070729 965344228 /nfs/dbraw/zinc/34/42/28/965344228.db2.gz KCPLFZOBCZVOPR-CHWSQXEVSA-N 2 0 285.407 1.267 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+]CC1CCCCC1 ZINC001444392338 965818646 /nfs/dbraw/zinc/81/86/46/965818646.db2.gz WZHPUCXQWKJSTN-CQSZACIVSA-N 2 0 283.460 1.860 10 0 CDAERP CC(C)C[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C(C)C ZINC001444897112 965992162 /nfs/dbraw/zinc/99/21/62/965992162.db2.gz UHNDVTKZCHLRSA-HUUCEWRRSA-N 2 0 283.460 1.857 10 0 CDAERP C[C@@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001445548796 966235183 /nfs/dbraw/zinc/23/51/83/966235183.db2.gz SFPPNXXMAVDLIJ-GZBFAFLISA-N 2 0 295.471 1.857 10 0 CDAERP Cc1ncc(C[NH2+]C2(CNC(=O)CC[NH+](C)C)CC2)s1 ZINC001446226802 966489000 /nfs/dbraw/zinc/48/90/00/966489000.db2.gz HRUGTYMQCYSOOX-UHFFFAOYSA-N 2 0 296.440 1.142 10 0 CDAERP CC[NH2+]C1(CC)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001447424859 966784132 /nfs/dbraw/zinc/78/41/32/966784132.db2.gz PZUJYSOQYXOQSV-UHFFFAOYSA-N 2 0 279.428 1.463 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC(CC)([NH2+]C[C@H](C)O)CC1 ZINC001447424910 966784389 /nfs/dbraw/zinc/78/43/89/966784389.db2.gz QSLOWBNLSLHFFI-AWEZNQCLSA-N 2 0 299.459 1.070 10 0 CDAERP CC[NH2+]CC1(NC(=O)CCC[NH+]2CCCC2)CCOCC1 ZINC001447495984 966797449 /nfs/dbraw/zinc/79/74/49/966797449.db2.gz MAAFWEVIEHVPPL-UHFFFAOYSA-N 2 0 297.443 1.137 10 0 CDAERP CC[C@H](F)C[NH2+]C1(C)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001447569125 966819253 /nfs/dbraw/zinc/81/92/53/966819253.db2.gz MPZOZIIWKUBROZ-AWEZNQCLSA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)C[NH+]1CC([C@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001448342720 967077304 /nfs/dbraw/zinc/07/73/04/967077304.db2.gz OLPJTVIJDIVUFJ-KBPBESRZSA-N 2 0 281.444 1.421 10 0 CDAERP O=C(NCCC[NH+]1CCCC1)[C@@H]1CCn2ccnc2C1 ZINC001539096967 967082771 /nfs/dbraw/zinc/08/27/71/967082771.db2.gz YCLASGUYOLAXFU-CYBMUJFWSA-N 2 0 276.384 1.048 10 0 CDAERP CC(C)[NH+]1CCN(C(=O)[C@H](C)CC[NH+](C)C)CC1 ZINC001543059266 967262707 /nfs/dbraw/zinc/26/27/07/967262707.db2.gz XSSVGQDLHBDORO-CYBMUJFWSA-N 2 0 255.406 1.127 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)CC[NH+](C)C ZINC001450608923 967754617 /nfs/dbraw/zinc/75/46/17/967754617.db2.gz PUYYEGAOYDXJAV-UONOGXRCSA-N 2 0 271.449 1.811 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)NCC[NH+]1CC=CC1 ZINC001457654831 969191957 /nfs/dbraw/zinc/19/19/57/969191957.db2.gz FJMFFHVLOCTMFH-CQSZACIVSA-N 2 0 265.401 1.239 10 0 CDAERP C[C@H](CN1CCOCC1)C[N@@H+]1CC[C@@H](N2CCCCC2)C1 ZINC001459604910 969440126 /nfs/dbraw/zinc/44/01/26/969440126.db2.gz WLHHEUSXAOCTDO-IAGOWNOFSA-N 2 0 295.471 1.515 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)C[NH2+]C1([C@@H]2CCCO2)CCC1 ZINC001460946635 969571337 /nfs/dbraw/zinc/57/13/37/969571337.db2.gz MBWDOMPKCUMWIR-KGLIPLIRSA-N 2 0 270.417 1.379 10 0 CDAERP CC[N@@H+]1CC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC001465664283 969887321 /nfs/dbraw/zinc/88/73/21/969887321.db2.gz NWSWJSYEJHDANI-CABCVRRESA-N 2 0 279.428 1.271 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC001465798856 969898694 /nfs/dbraw/zinc/89/86/94/969898694.db2.gz VAAHXUREUGANAJ-KFWWJZLASA-N 2 0 281.444 1.517 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001361764565 970505793 /nfs/dbraw/zinc/50/57/93/970505793.db2.gz JTFRDKDQTWEGRS-STQMWFEESA-N 2 0 273.396 1.267 10 0 CDAERP CC[N@@H+]1C[C@H](NC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)C(C)(C)C1 ZINC001472057808 970554882 /nfs/dbraw/zinc/55/48/82/970554882.db2.gz DQXYOUZARMLTBR-MJBXVCDLSA-N 2 0 281.444 1.706 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CC(Oc3ccncc3)C2)CC[N@@H+]1C ZINC001361915012 970671818 /nfs/dbraw/zinc/67/18/18/970671818.db2.gz WSKQDONJLPHNKE-STQMWFEESA-N 2 0 289.379 1.402 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)CC[NH+](C)C)C1 ZINC001361966302 970721998 /nfs/dbraw/zinc/72/19/98/970721998.db2.gz CIOYBQDKQCDOFB-CABCVRRESA-N 2 0 283.460 1.765 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)NCc1cccnc1N ZINC001371594360 972563953 /nfs/dbraw/zinc/56/39/53/972563953.db2.gz AIKAATBBVPLUQO-LBPRGKRZSA-N 2 0 291.399 1.336 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001371630029 972570498 /nfs/dbraw/zinc/57/04/98/972570498.db2.gz JDSXRWSOFDADLF-HUUCEWRRSA-N 2 0 281.444 1.422 10 0 CDAERP CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001495670756 972587653 /nfs/dbraw/zinc/58/76/53/972587653.db2.gz XDMYNODJFNUUAO-RWMBFGLXSA-N 2 0 255.406 1.079 10 0 CDAERP CCC[NH2+]C[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001495769601 972627638 /nfs/dbraw/zinc/62/76/38/972627638.db2.gz FBOYGFKJCIAIOF-AWEZNQCLSA-N 2 0 269.433 1.470 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)CCC1CC1 ZINC001372324818 972915312 /nfs/dbraw/zinc/91/53/12/972915312.db2.gz JRXXHZORDLRQPN-INIZCTEOSA-N 2 0 293.455 1.566 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCCF)[NH+](C)C ZINC001372527883 972999027 /nfs/dbraw/zinc/99/90/27/972999027.db2.gz PUJSROFNASHQSN-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C)CC[NH2+]C/C=C\Cl)[NH+](C)C ZINC001497269250 973270378 /nfs/dbraw/zinc/27/03/78/973270378.db2.gz XRAQGNIHVXAUOR-YYYFKNSJSA-N 2 0 275.824 1.564 10 0 CDAERP C[C@H](CC[NH2+]C/C=C\Cl)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001497321921 973285494 /nfs/dbraw/zinc/28/54/94/973285494.db2.gz IEQBGLOXZIJNDQ-BCIKPAMSSA-N 2 0 273.808 1.175 10 0 CDAERP C[N@H+](C/C=C\Cl)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001373308249 973359520 /nfs/dbraw/zinc/35/95/20/973359520.db2.gz BAWZWSMUGFMOLZ-VTUYONSCSA-N 2 0 299.846 1.471 10 0 CDAERP CCC[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001497579073 973419609 /nfs/dbraw/zinc/41/96/09/973419609.db2.gz LMMCWOPRLUDRBL-GEXIGZQTSA-N 2 0 267.417 1.531 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCC[C@@H](C)O)[C@@H]1C ZINC001417851726 973419580 /nfs/dbraw/zinc/41/95/80/973419580.db2.gz LYYDBEPZSWSBGX-KFWWJZLASA-N 2 0 299.459 1.068 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCF)C1CC1 ZINC001417981912 973513498 /nfs/dbraw/zinc/51/34/98/973513498.db2.gz ICWBOKJPDXFBFZ-CABCVRRESA-N 2 0 299.434 1.561 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)[NH+]1CCCC1 ZINC001373651474 973544350 /nfs/dbraw/zinc/54/43/50/973544350.db2.gz JTAQSOOGBNMJDD-CVEARBPZSA-N 2 0 293.455 1.707 10 0 CDAERP C[C@H](C[NH2+]CC1CC1)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001497911228 973573874 /nfs/dbraw/zinc/57/38/74/973573874.db2.gz UHVPYAOVMSTZTK-WBMJQRKESA-N 2 0 299.434 1.703 10 0 CDAERP CC[C@@H](C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1)OC ZINC001418107645 973588240 /nfs/dbraw/zinc/58/82/40/973588240.db2.gz BYFMLRFAZHJYGU-XGUBFFRZSA-N 2 0 299.459 1.234 10 0 CDAERP COC[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001373963373 973704382 /nfs/dbraw/zinc/70/43/82/973704382.db2.gz BFLJUPSIDIIMPZ-KFWWJZLASA-N 2 0 297.443 1.086 10 0 CDAERP COCCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001498290049 973811043 /nfs/dbraw/zinc/81/10/43/973811043.db2.gz XTOXSFSPMZRLOB-RBSFLKMASA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccccn1 ZINC001374326739 973893904 /nfs/dbraw/zinc/89/39/04/973893904.db2.gz HBGWNHDJJTZHCV-AWEZNQCLSA-N 2 0 292.427 1.358 10 0 CDAERP CCC[NH2+]CCCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001498587712 973991263 /nfs/dbraw/zinc/99/12/63/973991263.db2.gz SRYNPISOCFRKAA-LSDHHAIUSA-N 2 0 281.444 1.851 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001374521810 973999138 /nfs/dbraw/zinc/99/91/38/973999138.db2.gz ZVPNBLWPBXVGTC-CHWSQXEVSA-N 2 0 273.396 1.219 10 0 CDAERP COCC[NH2+]CCCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001498635445 974005508 /nfs/dbraw/zinc/00/55/08/974005508.db2.gz ALIYLJSBFGPWDR-UHFFFAOYSA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@H](F)C[NH2+]CCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001498641732 974008294 /nfs/dbraw/zinc/00/82/94/974008294.db2.gz ODANFVLOWLISAR-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H](NC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001498771108 974057682 /nfs/dbraw/zinc/05/76/82/974057682.db2.gz SZVWLKQPKWLICO-KGLIPLIRSA-N 2 0 299.434 1.703 10 0 CDAERP CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001499066159 974176479 /nfs/dbraw/zinc/17/64/79/974176479.db2.gz DLNVZTYGSKBBFK-CJNGLKHVSA-N 2 0 299.434 1.799 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CCF)CC1 ZINC001501691067 974624567 /nfs/dbraw/zinc/62/45/67/974624567.db2.gz SXQMQQJKENMGKW-MGPQQGTHSA-N 2 0 285.407 1.315 10 0 CDAERP CC[C@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001376307186 974626155 /nfs/dbraw/zinc/62/61/55/974626155.db2.gz MPMPINJNKGCLIB-SOUVJXGZSA-N 2 0 281.444 1.659 10 0 CDAERP C[C@@H](F)CC[N@H+]1C[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C1 ZINC001376418788 974655853 /nfs/dbraw/zinc/65/58/53/974655853.db2.gz PPHBPCYRVXJWQT-KFWWJZLASA-N 2 0 299.434 1.467 10 0 CDAERP CC[C@@H](F)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](C)C ZINC001376652626 974703061 /nfs/dbraw/zinc/70/30/61/974703061.db2.gz VQURYBRHGMWXAS-DGTMBMJNSA-N 2 0 285.407 1.121 10 0 CDAERP COCCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)CC1 ZINC001502148284 974707400 /nfs/dbraw/zinc/70/74/00/974707400.db2.gz YMPYVJTVJCHOGK-OAHLLOKOSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCOC1CCC1 ZINC001503117181 974813036 /nfs/dbraw/zinc/81/30/36/974813036.db2.gz NQDBJRXGXTWRRD-ZFWWWQNUSA-N 2 0 297.443 1.134 10 0 CDAERP CC[NH2+]C1(CC)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001377113011 974888277 /nfs/dbraw/zinc/88/82/77/974888277.db2.gz CPKGUMPYPNTZEE-HNNXBMFYSA-N 2 0 293.455 1.709 10 0 CDAERP CCC[N@H+](C)CCC(=O)NC1CC(C[NH2+]C(C)C)C1 ZINC001505531128 974901380 /nfs/dbraw/zinc/90/13/80/974901380.db2.gz QHZARUUUUXKLKH-UHFFFAOYSA-N 2 0 269.433 1.611 10 0 CDAERP CCc1nocc1C[NH2+][C@H](C)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001505684398 974962948 /nfs/dbraw/zinc/96/29/48/974962948.db2.gz AWLKDBMLXHIXGA-VXGBXAGGSA-N 2 0 296.415 1.172 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)NC[C@H]1CC[N@H+](CC2CC2)C1 ZINC001377440020 975028445 /nfs/dbraw/zinc/02/84/45/975028445.db2.gz SKTKGBZWBYDHQJ-CABCVRRESA-N 2 0 299.434 1.514 10 0 CDAERP CCc1nccn1[C@H](C)CC(=O)NC[C@H](C)[N@@H+](C)CC ZINC001505921814 975044413 /nfs/dbraw/zinc/04/44/13/975044413.db2.gz ALOMUKOSBYEAJL-OLZOCXBDSA-N 2 0 280.416 1.853 10 0 CDAERP CC(C)[N@H+](C)[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001505943641 975052270 /nfs/dbraw/zinc/05/22/70/975052270.db2.gz LKIAEZWXNFTEJG-CQSZACIVSA-N 2 0 281.444 1.707 10 0 CDAERP CCC[NH+]1CC([C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001506664261 975198770 /nfs/dbraw/zinc/19/87/70/975198770.db2.gz KDONYACMPIPBFA-OLZOCXBDSA-N 2 0 267.417 1.175 10 0 CDAERP C[NH+](C)CCCC(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3CCC3)C[C@H]21 ZINC001506806910 975225341 /nfs/dbraw/zinc/22/53/41/975225341.db2.gz TWOZIKFWBHRVLN-PHZGNYQRSA-N 2 0 293.455 1.422 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001378122022 975250861 /nfs/dbraw/zinc/25/08/61/975250861.db2.gz YJKDKVBPYUHEBY-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP CCC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001506931811 975265182 /nfs/dbraw/zinc/26/51/82/975265182.db2.gz CCAJUMNXLDHEQO-CHWSQXEVSA-N 2 0 255.406 1.365 10 0 CDAERP Cc1nocc1C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001507289924 975400435 /nfs/dbraw/zinc/40/04/35/975400435.db2.gz LQJHWZCMXSNHFW-OCCSQVGLSA-N 2 0 294.399 1.014 10 0 CDAERP CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001507341361 975424841 /nfs/dbraw/zinc/42/48/41/975424841.db2.gz SNZLGWZVJMESBF-CHWSQXEVSA-N 2 0 255.406 1.316 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)C[C@H]1CC[NH+]1CC[C@H](C)F ZINC001397040385 975447358 /nfs/dbraw/zinc/44/73/58/975447358.db2.gz GWNXUOABFINQPD-UONOGXRCSA-N 2 0 287.423 1.609 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC)C(C)(C)C1 ZINC001507450840 975474480 /nfs/dbraw/zinc/47/44/80/975474480.db2.gz JYSCSUNNPNJECE-CYBMUJFWSA-N 2 0 269.433 1.565 10 0 CDAERP CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1cncs1)[NH+](C)C ZINC001378777149 975489321 /nfs/dbraw/zinc/48/93/21/975489321.db2.gz LHLMEFAWFDEWTB-DGCLKSJQSA-N 2 0 298.456 1.420 10 0 CDAERP CC(C)[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001378782054 975489708 /nfs/dbraw/zinc/48/97/08/975489708.db2.gz KQAHVLSBEPMYPW-RRFJBIMHSA-N 2 0 281.444 1.563 10 0 CDAERP CC(C)[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]C/C=C/Cl ZINC001378993887 975581217 /nfs/dbraw/zinc/58/12/17/975581217.db2.gz ANIIZRVWJRPROL-KTRBRXNASA-N 2 0 289.851 1.810 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+](C)CC2CCC2)CC[N@@H+]1C ZINC001401366255 975623625 /nfs/dbraw/zinc/62/36/25/975623625.db2.gz NXSDZSBEKSFCET-JKSUJKDBSA-N 2 0 295.471 1.907 10 0 CDAERP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)[NH2+]CCF ZINC001405266848 975695875 /nfs/dbraw/zinc/69/58/75/975695875.db2.gz NUFQAUJZQYGBEI-UONOGXRCSA-N 2 0 287.423 1.561 10 0 CDAERP CC[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]Cc1ccns1 ZINC001405358871 975724019 /nfs/dbraw/zinc/72/40/19/975724019.db2.gz DGKDNUPCOHHGSS-GFCCVEGCSA-N 2 0 298.456 1.468 10 0 CDAERP C[C@@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]CCC(C)(C)C ZINC001379274037 975738129 /nfs/dbraw/zinc/73/81/29/975738129.db2.gz IIABCPBZMOZXRY-AWEZNQCLSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)C[NH2+]CC2CC2)C1 ZINC001401697509 975797987 /nfs/dbraw/zinc/79/79/87/975797987.db2.gz MLLGIYQXQDTHIW-ZFWWWQNUSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@@H]1[C@H](C(=O)NC[C@H]([NH2+]CCC2CC2)C2CC2)CC[N@@H+]1C ZINC001389614085 975931406 /nfs/dbraw/zinc/93/14/06/975931406.db2.gz QXJWCRKNPHGWHD-WQVCFCJDSA-N 2 0 293.455 1.611 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]([NH2+]Cc1ccsc1)C1CC1 ZINC001389629444 975936473 /nfs/dbraw/zinc/93/64/73/975936473.db2.gz CWMMGBKDWCWABA-CQSZACIVSA-N 2 0 295.452 1.684 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccccc1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001379583272 975936796 /nfs/dbraw/zinc/93/67/96/975936796.db2.gz VHUNVVISRWXYJC-HOCLYGCPSA-N 2 0 289.423 1.623 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001379686987 976009971 /nfs/dbraw/zinc/00/99/71/976009971.db2.gz HKLKCAOSDRPXCQ-HUUCEWRRSA-N 2 0 293.455 1.613 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC[C@@H](C)F)C1 ZINC001398534542 976025176 /nfs/dbraw/zinc/02/51/76/976025176.db2.gz GKZQBRSEORLGBF-TUVASFSCSA-N 2 0 299.434 1.846 10 0 CDAERP CO[C@@H](C)C[N@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001379729925 976035424 /nfs/dbraw/zinc/03/54/24/976035424.db2.gz LURSVRXFPXWXQZ-KBPBESRZSA-N 2 0 299.459 1.332 10 0 CDAERP C[C@H](Cc1c[nH]cn1)C(=O)N(C)CC[N@@H+](C)CC[C@H](C)F ZINC001406149696 976069468 /nfs/dbraw/zinc/06/94/68/976069468.db2.gz VGEOWMXYFOYSLR-OLZOCXBDSA-N 2 0 298.406 1.727 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001406182698 976087497 /nfs/dbraw/zinc/08/74/97/976087497.db2.gz IPDZBLXEBRAFIF-HUUCEWRRSA-N 2 0 293.455 1.613 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)CC[C@@H]21 ZINC001406200893 976092856 /nfs/dbraw/zinc/09/28/56/976092856.db2.gz XXXRMDWZCPAGDJ-CABCVRRESA-N 2 0 281.444 1.517 10 0 CDAERP CC(C)[N@@H+]1CC[C@](C)(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001402134721 976138460 /nfs/dbraw/zinc/13/84/60/976138460.db2.gz OAOAJNANMWBAPN-INIZCTEOSA-N 2 0 297.443 1.086 10 0 CDAERP COC[C@H](C)[N@H+](C)CCN(C(=O)[C@H]1CCC[NH+]1C)C(C)C ZINC001379997032 976172379 /nfs/dbraw/zinc/17/23/79/976172379.db2.gz CUMCHPLNSBXRGD-LSDHHAIUSA-N 2 0 299.459 1.284 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H](CNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001402307513 976230525 /nfs/dbraw/zinc/23/05/25/976230525.db2.gz FULVMUZTVVPOHM-TZMCWYRMSA-N 2 0 299.434 1.703 10 0 CDAERP CC[C@@H](C(=O)NCC1([NH2+]Cc2cncs2)CC1)[NH+](C)C ZINC001380162416 976272411 /nfs/dbraw/zinc/27/24/11/976272411.db2.gz ZLTGIFXWYYWSQH-LBPRGKRZSA-N 2 0 296.440 1.222 10 0 CDAERP C[C@H](F)CC[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001406713956 976378149 /nfs/dbraw/zinc/37/81/49/976378149.db2.gz YXQGUJNVMLDPGG-STQMWFEESA-N 2 0 273.396 1.267 10 0 CDAERP O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001402644452 976422412 /nfs/dbraw/zinc/42/24/12/976422412.db2.gz LFIOEOBGLXUMRL-HFBDLHNASA-N 2 0 299.846 1.852 10 0 CDAERP CN(CCC[N@H+](C)C[C@H]1CCCCO1)C(=O)CC[NH+](C)C ZINC001402648662 976422969 /nfs/dbraw/zinc/42/29/69/976422969.db2.gz JEZVVUVVLDLOMT-OAHLLOKOSA-N 2 0 299.459 1.288 10 0 CDAERP CC(C)CC[NH2+][C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001402766713 976472970 /nfs/dbraw/zinc/47/29/70/976472970.db2.gz DBPLODJLEQSJCS-CABCVRRESA-N 2 0 283.460 1.809 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CC3CC3)CC2)CC[N@@H+]1C ZINC001406932625 976485569 /nfs/dbraw/zinc/48/55/69/976485569.db2.gz JYXMNUSITTZEFY-UONOGXRCSA-N 2 0 279.428 1.365 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccccc1 ZINC001402899588 976571411 /nfs/dbraw/zinc/57/14/11/976571411.db2.gz ZYDJXXADZRAVBL-SQWLQELKSA-N 2 0 289.423 1.621 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC1(C)CC[NH+](C(C)C)CC1 ZINC001407268401 976622043 /nfs/dbraw/zinc/62/20/43/976622043.db2.gz FURDYQLUDKHIEZ-UHFFFAOYSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@H]1CC[C@H](C[N@H+](C)CCCN(C)C(=O)CC[NH+](C)C)O1 ZINC001380968888 976634073 /nfs/dbraw/zinc/63/40/73/976634073.db2.gz GKNJNMUUGUSMCC-LSDHHAIUSA-N 2 0 299.459 1.286 10 0 CDAERP COc1ccc(C[NH2+][C@@H](C)CNC(=O)CC[NH+](C)C)cc1 ZINC001403045799 976678778 /nfs/dbraw/zinc/67/87/78/976678778.db2.gz LSDWWTUUEDGFMT-ZDUSSCGKSA-N 2 0 293.411 1.241 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001399929854 976716291 /nfs/dbraw/zinc/71/62/91/976716291.db2.gz MTWQSPAUOQZQCT-STQMWFEESA-N 2 0 273.396 1.124 10 0 CDAERP CCC[NH+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CC3)C2)CC1 ZINC001407714427 976740407 /nfs/dbraw/zinc/74/04/07/976740407.db2.gz KXQAUXXNXIOZPL-UHFFFAOYSA-N 2 0 293.455 1.663 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1cccnc1)[NH+](C)C ZINC001403138213 976754418 /nfs/dbraw/zinc/75/44/18/976754418.db2.gz HXQHZWHYOHQZJF-UKRRQHHQSA-N 2 0 292.427 1.358 10 0 CDAERP CC(C)C[NH2+]CC1CC(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001381322660 976758803 /nfs/dbraw/zinc/75/88/03/976758803.db2.gz CEZJVPONMZQUJM-BCLQGDPASA-N 2 0 293.455 1.469 10 0 CDAERP CC1CC(C[N@H+](C)CCCN(C)C(=O)C[NH+]2CCCC2)C1 ZINC001407948833 976848351 /nfs/dbraw/zinc/84/83/51/976848351.db2.gz PTASPYXVUSFZPW-UHFFFAOYSA-N 2 0 295.471 1.909 10 0 CDAERP C[C@H](F)CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001408118165 976924458 /nfs/dbraw/zinc/92/44/58/976924458.db2.gz LMDBOONHYLUWCK-UONOGXRCSA-N 2 0 299.434 1.799 10 0 CDAERP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1nc(C)cs1 ZINC001391725240 977067972 /nfs/dbraw/zinc/06/79/72/977067972.db2.gz SONCXEOKXKOIJL-LBPRGKRZSA-N 2 0 298.456 1.388 10 0 CDAERP C[NH+](C)CCC(=O)NCC1C[NH+](CCC2CCCCC2)C1 ZINC001400528039 977077560 /nfs/dbraw/zinc/07/75/60/977077560.db2.gz OVUIMYVYZLDQCS-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H](C)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001403602554 977096301 /nfs/dbraw/zinc/09/63/01/977096301.db2.gz WZOCKSSOGYHTJX-CHWSQXEVSA-N 2 0 287.423 1.513 10 0 CDAERP Cc1oncc1C[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001403627802 977114500 /nfs/dbraw/zinc/11/45/00/977114500.db2.gz SUDUUYKMGNQPIJ-LBPRGKRZSA-N 2 0 296.415 1.260 10 0 CDAERP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cccc(F)c1 ZINC001400862632 977228367 /nfs/dbraw/zinc/22/83/67/977228367.db2.gz UBVNZKDXSVUEQT-OAHLLOKOSA-N 2 0 295.402 1.762 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1cc(C)ns1 ZINC001392525280 977471405 /nfs/dbraw/zinc/47/14/05/977471405.db2.gz NLGIVSREGGTTPN-GFCCVEGCSA-N 2 0 298.456 1.388 10 0 CDAERP C[NH+](C)CCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCF ZINC001392979057 977665116 /nfs/dbraw/zinc/66/51/16/977665116.db2.gz WEGJZVVXUWMERA-GASCZTMLSA-N 2 0 299.434 1.753 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N[C@@]2(C)CC[NH+](CC3CCC3)C2)C1 ZINC001393119974 977712104 /nfs/dbraw/zinc/71/21/04/977712104.db2.gz WMMYQHTZXRWLKK-YOEHRIQHSA-N 2 0 293.455 1.709 10 0 CDAERP C[C@H]([NH2+]CC1CCCC1)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001393388560 977777593 /nfs/dbraw/zinc/77/75/93/977777593.db2.gz PPWXQRFVCPWFOO-GOEBONIOSA-N 2 0 295.471 1.955 10 0 CDAERP C[N@H+](CC(=O)NC1CC(C[NH2+]CC2CCC2)C1)C1CCC1 ZINC001393898723 977954104 /nfs/dbraw/zinc/95/41/04/977954104.db2.gz IPGLAGRURJHIPY-UHFFFAOYSA-N 2 0 293.455 1.755 10 0 CDAERP CC(C)C[NH2+][C@H](C)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001393957618 977984502 /nfs/dbraw/zinc/98/45/02/977984502.db2.gz ZNXDHKDOPUWMPA-KGLIPLIRSA-N 2 0 281.444 1.754 10 0 CDAERP Cc1ncc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CCC[NH+](C)C)o1 ZINC001393970751 977990481 /nfs/dbraw/zinc/99/04/81/977990481.db2.gz ZUKOOTROPDYVQW-RYUDHWBXSA-N 2 0 296.415 1.308 10 0 CDAERP CC[C@@H](C)C[N@H+](C)[C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001394073485 978050075 /nfs/dbraw/zinc/05/00/75/978050075.db2.gz KYBZLDJUMJDQHQ-KGLIPLIRSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCCCC[N@H+]1C[C@H](C)O ZINC001394211871 978106102 /nfs/dbraw/zinc/10/61/02/978106102.db2.gz RISHIEHISOUDKH-GJZGRUSLSA-N 2 0 299.459 1.068 10 0 CDAERP C[C@@H](CCC[NH2+]CCCF)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001676018188 1174174403 /nfs/dbraw/zinc/17/44/03/1174174403.db2.gz HZDYWWAYNWYBLJ-STQMWFEESA-N 2 0 273.396 1.172 10 0 CDAERP CC[N@H+](C)CCN(C(=O)C[NH+]1CC[C@H](C)C1)C(C)C ZINC001677211593 1174335743 /nfs/dbraw/zinc/33/57/43/1174335743.db2.gz RQWLRLHRZNCDPO-AWEZNQCLSA-N 2 0 269.433 1.517 10 0 CDAERP CC(C)=CC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001570364463 1170143268 /nfs/dbraw/zinc/14/32/68/1170143268.db2.gz UFOZXLSERROSLD-CABCVRRESA-N 2 0 281.444 1.729 10 0 CDAERP CC[NH2+]CC1CC(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001570582551 1170194756 /nfs/dbraw/zinc/19/47/56/1170194756.db2.gz NBPZXTKNOFQGFN-UHFFFAOYSA-N 2 0 267.417 1.367 10 0 CDAERP CCCC[NH2+][C@H](C)[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001571002808 1170329218 /nfs/dbraw/zinc/32/92/18/1170329218.db2.gz UKEXAWSGNIRFHU-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CCCCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001571379994 1170395911 /nfs/dbraw/zinc/39/59/11/1170395911.db2.gz GVVXQSHXWDMDAS-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP CCCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001571580364 1170483938 /nfs/dbraw/zinc/48/39/38/1170483938.db2.gz ONMQATOBZIDYID-HUUCEWRRSA-N 2 0 299.459 1.068 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000601006643 342458658 /nfs/dbraw/zinc/45/86/58/342458658.db2.gz NNJLNUYZPDKDMQ-JKSUJKDBSA-N 2 0 293.455 1.948 10 0 CDAERP c1nc2cc(C[NH2+]CCCC[NH+]3CCOCC3)ccc2[nH]1 ZINC000589641347 342510679 /nfs/dbraw/zinc/51/06/79/342510679.db2.gz HZLBKVTVJDFRSL-UHFFFAOYSA-N 2 0 288.395 1.765 10 0 CDAERP [NH3+]CC1(CC[NH2+]Cc2cnc(N3CCOCC3)s2)CC1 ZINC000650712472 398154850 /nfs/dbraw/zinc/15/48/50/398154850.db2.gz FGGXVHKAYBWYIM-UHFFFAOYSA-N 2 0 296.440 1.198 10 0 CDAERP CC(C)C[N@H+](C)CCCN[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000650740237 398170783 /nfs/dbraw/zinc/17/07/83/398170783.db2.gz JJGGLZOQDRXXMB-QLFBSQMISA-N 2 0 271.449 1.306 10 0 CDAERP CC[NH+]1CCC([NH2+]CCOCC(=O)OC(C)(C)C)CC1 ZINC000601294960 342550153 /nfs/dbraw/zinc/55/01/53/342550153.db2.gz QUNOWUJLMJQQAO-UHFFFAOYSA-N 2 0 286.416 1.419 10 0 CDAERP CC(C)C[C@H](C[NH3+])NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000566201677 370645329 /nfs/dbraw/zinc/64/53/29/370645329.db2.gz SXYHJLPYPFIEFX-ZIAGYGMSSA-N 2 0 269.433 1.741 10 0 CDAERP CC[N@H+](CC(=O)N[C@@H](C[NH+](C)C)c1ccccc1)C1CC1 ZINC000135921371 361772187 /nfs/dbraw/zinc/77/21/87/361772187.db2.gz GSYJVIOCULTBDV-INIZCTEOSA-N 2 0 289.423 1.890 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)CC[C@@H]2CCCC[NH+]2C)C[N@@H+]1C1CC1 ZINC000354649945 365606385 /nfs/dbraw/zinc/60/63/85/365606385.db2.gz LDUZBZAHKLUATR-ILXRZTDVSA-N 2 0 293.455 1.992 10 0 CDAERP C[NH+](C)C1(CNC(=O)[C@@]2(C)CCC[NH2+]2)CCCC1 ZINC000125735671 342067004 /nfs/dbraw/zinc/06/70/04/342067004.db2.gz BAQVXENUPOXZOE-CYBMUJFWSA-N 2 0 253.390 1.119 10 0 CDAERP C[C@H](CNC(=O)c1ccc(C[NH3+])cc1)[NH+]1CCCC1 ZINC000125668357 342067026 /nfs/dbraw/zinc/06/70/26/342067026.db2.gz NIEXOEMADKMZEC-GFCCVEGCSA-N 2 0 261.369 1.359 10 0 CDAERP C[C@@]1(C(=O)NCC[NH+]2CCCCCC2)CCCC[NH2+]1 ZINC000136199806 342071469 /nfs/dbraw/zinc/07/14/69/342071469.db2.gz UQLRQWOWCOYQJR-HNNXBMFYSA-N 2 0 267.417 1.511 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000136195635 342071518 /nfs/dbraw/zinc/07/15/18/342071518.db2.gz YVMYTUZVTPFMPX-ZBFHGGJFSA-N 2 0 281.444 1.899 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000617014138 342607872 /nfs/dbraw/zinc/60/78/72/342607872.db2.gz GBCRWCXBMVKUNO-UONOGXRCSA-N 2 0 281.444 1.850 10 0 CDAERP [NH3+]C[C@@H]1CC[NH2+][C@]12CCCN(Cc1ccccc1)C2 ZINC000096885115 185121141 /nfs/dbraw/zinc/12/11/41/185121141.db2.gz XLHBPHGHSBMTBK-HOTGVXAUSA-N 2 0 259.397 1.589 10 0 CDAERP [NH3+]CCCOCC[NH2+]C/C=C\c1ccc(F)cc1 ZINC000629399463 361935153 /nfs/dbraw/zinc/93/51/53/361935153.db2.gz HCSYKRAONMNFME-IWQZZHSRSA-N 2 0 252.333 1.794 10 0 CDAERP C[NH+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC000635555637 361954381 /nfs/dbraw/zinc/95/43/81/361954381.db2.gz GKPIUNMAROJVNI-CHWSQXEVSA-N 2 0 276.384 1.313 10 0 CDAERP COC(=O)[C@@H](C[NH3+])C1CC[NH+](Cc2ccccc2)CC1 ZINC000212020898 539058625 /nfs/dbraw/zinc/05/86/25/539058625.db2.gz POAUGOICLTXOPH-HNNXBMFYSA-N 2 0 276.380 1.647 10 0 CDAERP CCC[NH+]1CCC([NH2+]CCCC[NH+]2CCOCC2)CC1 ZINC000158723652 539112646 /nfs/dbraw/zinc/11/26/46/539112646.db2.gz YYPYZXQAOKMOAA-UHFFFAOYSA-N 3 0 283.460 1.563 10 0 CDAERP CC[C@H]([NH3+])CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000417934894 529446338 /nfs/dbraw/zinc/44/63/38/529446338.db2.gz QCJYOUCQGVMRDP-CPCZMJQVSA-N 2 0 270.421 1.143 10 0 CDAERP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000594960931 342984272 /nfs/dbraw/zinc/98/42/72/342984272.db2.gz UEDMDQPSRAISBU-YDNTZZIISA-N 2 0 266.385 1.399 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@H](C)[C@H]2C[C@H]2C(=O)OC)CC1 ZINC000594919295 342986381 /nfs/dbraw/zinc/98/63/81/342986381.db2.gz HPXICZYNBIMBFY-BPLDGKMQSA-N 2 0 282.428 1.896 10 0 CDAERP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H]2C[C@H]2C(=O)OC)C1 ZINC000594924937 342989015 /nfs/dbraw/zinc/98/90/15/342989015.db2.gz KUNRSVZRTJIJRW-YIYPIFLZSA-N 2 0 268.401 1.506 10 0 CDAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)CSCCF ZINC000595032924 342997467 /nfs/dbraw/zinc/99/74/67/342997467.db2.gz NEUIFKOXOQZNES-KGLIPLIRSA-N 2 0 291.480 1.693 10 0 CDAERP CCc1nccn1[C@H](C)CC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000629452971 362056482 /nfs/dbraw/zinc/05/64/82/362056482.db2.gz ZYSJPJSESDXXCZ-OLZOCXBDSA-N 2 0 278.400 1.607 10 0 CDAERP CCOC(=O)CC[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595900924 343186752 /nfs/dbraw/zinc/18/67/52/343186752.db2.gz PDGXTTJJYROWBA-CQSZACIVSA-N 2 0 268.401 1.651 10 0 CDAERP COC[C@@H]1C[N@H+](C)CC12CC[NH+](Cc1ccncc1)CC2 ZINC000169789850 362141453 /nfs/dbraw/zinc/14/14/53/362141453.db2.gz LYXVFTZIXWUOIF-INIZCTEOSA-N 2 0 289.423 1.872 10 0 CDAERP COCC[C@H]1CCC[C@@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000629522283 362142034 /nfs/dbraw/zinc/14/20/34/362142034.db2.gz ZECUKBPHNXWKAK-OLZOCXBDSA-N 2 0 256.390 1.289 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](CC(C)C)c1ccccn1 ZINC000629529507 362157427 /nfs/dbraw/zinc/15/74/27/362157427.db2.gz FKOGFDOPPBILCU-OAHLLOKOSA-N 2 0 265.401 1.994 10 0 CDAERP C(CN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)OC1CCOCC1 ZINC000629533527 362171402 /nfs/dbraw/zinc/17/14/02/362171402.db2.gz GGDTVCQIBNAAHH-JKSUJKDBSA-N 2 0 282.428 1.789 10 0 CDAERP C[C@H]([NH3+])c1ccc(CN2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000142046647 342448122 /nfs/dbraw/zinc/44/81/22/342448122.db2.gz UTWNYLOHHPPBCF-XJKSGUPXSA-N 2 0 259.397 1.986 10 0 CDAERP CCCC1CCC(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)CC1 ZINC000263194519 362213035 /nfs/dbraw/zinc/21/30/35/362213035.db2.gz IFVMKNCRTCOQBZ-NEXFUWMNSA-N 2 0 254.418 1.763 10 0 CDAERP COC[C@@]1(CNC(=O)CC[C@H]2CCCC[N@@H+]2C)CCC[NH2+]1 ZINC000566204811 370646094 /nfs/dbraw/zinc/64/60/94/370646094.db2.gz HACBJULGYOEGKJ-ZBFHGGJFSA-N 2 0 297.443 1.136 10 0 CDAERP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccc(-c2ccncc2)c1 ZINC000263203164 362248917 /nfs/dbraw/zinc/24/89/17/362248917.db2.gz JIPIXFLKFNLMBX-SJORKVTESA-N 2 0 283.375 1.419 10 0 CDAERP C[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)Cc1ccccc1 ZINC000273170244 192064528 /nfs/dbraw/zinc/06/45/28/192064528.db2.gz DVHSPDVJRSXQCA-RDJZCZTQSA-N 2 0 276.424 1.912 10 0 CDAERP C[C@H](NC(=O)[C@H]1CC[C@H]([NH3+])C1)C(C)(C)C[NH+](C)C ZINC000262660980 344696791 /nfs/dbraw/zinc/69/67/91/344696791.db2.gz GDJGEWFOXQZOFH-SRVKXCTJSA-N 2 0 255.406 1.206 10 0 CDAERP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000262270325 344697373 /nfs/dbraw/zinc/69/73/73/344697373.db2.gz IGGLSVNKFCRCBZ-QRJUGERDSA-N 2 0 295.471 1.987 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Cn3ccnc3)cc2)C1 ZINC000617414999 345514411 /nfs/dbraw/zinc/51/44/11/345514411.db2.gz WPQXQRFWTRCXRT-MRXNPFEDSA-N 2 0 298.390 1.755 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)N2CCOCC2)CC1(C)C ZINC000623338549 346067779 /nfs/dbraw/zinc/06/77/79/346067779.db2.gz DZBLTUORTWKFGG-CQSZACIVSA-N 2 0 283.460 1.560 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C2CCN(C(=O)C3CC3)CC2)CC1(C)C ZINC000623354400 346081777 /nfs/dbraw/zinc/08/17/77/346081777.db2.gz RUNBESXZCGAFAN-HNNXBMFYSA-N 2 0 293.455 1.850 10 0 CDAERP CCC[NH2+][C@](C)(CO)CN1CC[C@H]([NH+](CC)CC)C1 ZINC000085213373 178977404 /nfs/dbraw/zinc/97/74/04/178977404.db2.gz PBYMVEBWRSHUEU-GJZGRUSLSA-N 2 0 271.449 1.153 10 0 CDAERP CCC[NH2+][C@](C)(CO)CN1CCC(C[NH+](C)C)CC1 ZINC000085242408 178983908 /nfs/dbraw/zinc/98/39/08/178983908.db2.gz UNGCLXISGAYEBP-HNNXBMFYSA-N 2 0 271.449 1.011 10 0 CDAERP COCC[N@@H+]1CCC[C@H]1CN[C@H]1CC[NH+](C)C(C)(C)C1 ZINC000623398778 346155654 /nfs/dbraw/zinc/15/56/54/346155654.db2.gz OPBFFBAIQDZDFM-GJZGRUSLSA-N 2 0 283.460 1.560 10 0 CDAERP CC[N@H+](CCCC[C@](C)(O)C[NH3+])C[C@@H]1CCCO1 ZINC000085300808 179009872 /nfs/dbraw/zinc/00/98/72/179009872.db2.gz SUZDDONULJZRBG-KBPBESRZSA-N 2 0 258.406 1.367 10 0 CDAERP C[C@@](O)(C[NH3+])CCCCN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000085303057 179010762 /nfs/dbraw/zinc/01/07/62/179010762.db2.gz HLOVFQJPBYIWFM-CABCVRRESA-N 2 0 269.433 1.037 10 0 CDAERP [NH3+]C[C@](O)(C[NH+]1CCc2ccccc2CC1)C1CC1 ZINC000085302030 179010771 /nfs/dbraw/zinc/01/07/71/179010771.db2.gz XUYCINYFNPVOOB-INIZCTEOSA-N 2 0 260.381 1.187 10 0 CDAERP CC[C@H](CO)[N@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000449374725 362673266 /nfs/dbraw/zinc/67/32/66/362673266.db2.gz CECMZUMLGBPSRU-CQSZACIVSA-N 2 0 274.368 1.778 10 0 CDAERP CC(C)(C)[NH+]1CCC(NC(=O)[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000085366318 179037126 /nfs/dbraw/zinc/03/71/26/179037126.db2.gz PTRWLWWFUGRGSB-CHWSQXEVSA-N 2 0 267.417 1.493 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000085368465 179038066 /nfs/dbraw/zinc/03/80/66/179038066.db2.gz FOLALOZMNSJPQC-MGPQQGTHSA-N 2 0 265.401 1.201 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1C(=O)NCC[NH+]1CCCCCC1 ZINC000085370670 179040538 /nfs/dbraw/zinc/04/05/38/179040538.db2.gz HAMDSKLQRLVRRX-CHWSQXEVSA-N 2 0 253.390 1.106 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1CCCCN1CCO)[C@H]1CCCOC1 ZINC000449396873 362692493 /nfs/dbraw/zinc/69/24/93/362692493.db2.gz MXSAYOJEJMDJPT-KKUMJFAQSA-N 2 0 270.417 1.238 10 0 CDAERP CC(C)(C)[NH+]1CCC(NC[C@@H]2CCCC[N@@H+]2CCO)CC1 ZINC000449389204 362683507 /nfs/dbraw/zinc/68/35/07/362683507.db2.gz CEVNWZVVCBOSSZ-INIZCTEOSA-N 2 0 297.487 1.686 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000571623798 362708323 /nfs/dbraw/zinc/70/83/23/362708323.db2.gz KEUPKEJFONBFJD-ZDUSSCGKSA-N 2 0 288.395 1.548 10 0 CDAERP CC(C)NC(=O)C[N@@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403661 179053389 /nfs/dbraw/zinc/05/33/89/179053389.db2.gz WOYOCCXRHMDKER-OAHLLOKOSA-N 2 0 281.444 1.755 10 0 CDAERP Cc1nc2c(n1C[C@@H]1CC[N@@H+](C(C)C)C1)CC[NH2+]C2 ZINC000085572502 179097422 /nfs/dbraw/zinc/09/74/22/179097422.db2.gz ZYRRZMCTAVNNED-CYBMUJFWSA-N 2 0 262.401 1.568 10 0 CDAERP C[C@@]1(C2CC2)C[N@H+](CCCn2ccnc2)CCC[NH2+]1 ZINC000085612877 179102201 /nfs/dbraw/zinc/10/22/01/179102201.db2.gz SKSMUGBRHVTEDL-HNNXBMFYSA-N 2 0 262.401 1.737 10 0 CDAERP Clc1ccc(C[NH2+]CC[C@H]2C[NH2+]CCO2)s1 ZINC000085621628 179105467 /nfs/dbraw/zinc/10/54/67/179105467.db2.gz QMTJTTZODVBZCT-VIFPVBQESA-N 2 0 260.790 1.870 10 0 CDAERP C[C@@H]1CC[NH2+]C2(CCCC2)C[N@@H+]1CCn1cccn1 ZINC000085623263 179105713 /nfs/dbraw/zinc/10/57/13/179105713.db2.gz KJXIGKOOYYYGBV-CQSZACIVSA-N 2 0 262.401 1.880 10 0 CDAERP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2CCC[C@H]2O)CC1 ZINC000449736988 362769717 /nfs/dbraw/zinc/76/97/17/362769717.db2.gz QARAFIIOEMVPHQ-GXTWGEPZSA-N 2 0 254.418 2.000 10 0 CDAERP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000085969160 179206791 /nfs/dbraw/zinc/20/67/91/179206791.db2.gz VZTCSHOZQHKVSN-QTVXIADOSA-N 2 0 254.418 1.856 10 0 CDAERP CCC[NH+]1CCC(N2CC[NH2+][C@@H](C3CC3)C2)CC1 ZINC000086144542 179238010 /nfs/dbraw/zinc/23/80/10/179238010.db2.gz FIBXLQMLRSJBAG-OAHLLOKOSA-N 2 0 251.418 1.545 10 0 CDAERP C1CC1[N@@H+]1CC[C@H](N2CC[NH2+]C3(CCCCC3)C2)C1 ZINC000086145980 179238273 /nfs/dbraw/zinc/23/82/73/179238273.db2.gz PIGQAPUTEIKAPK-HNNXBMFYSA-N 2 0 263.429 1.831 10 0 CDAERP C[N@@H+]1CCC[C@@H](CN2CC[NH2+][C@@](C)(C3CC3)C2)C1 ZINC000086145765 179238458 /nfs/dbraw/zinc/23/84/58/179238458.db2.gz OBLWODDEDLOXME-UKRRQHHQSA-N 2 0 251.418 1.402 10 0 CDAERP CC[C@@H](C)[C@H]1CN(C[C@@H]2CCC[N@H+](C)C2)CC[NH2+]1 ZINC000086145752 179239250 /nfs/dbraw/zinc/23/92/50/179239250.db2.gz BGKLZJIVGXRPLL-RBSFLKMASA-N 2 0 253.434 1.648 10 0 CDAERP CC[C@@H]1C[NH2+][C@](C)(C2CC2)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086182498 179248054 /nfs/dbraw/zinc/24/80/54/179248054.db2.gz UQTHQGQYBPATCJ-ZACQAIPSSA-N 2 0 277.456 1.933 10 0 CDAERP CC(C)C[C@@H]1CN(C2CC[NH+](C)CC2)[C@@H](C)C[NH2+]1 ZINC000086217844 179249710 /nfs/dbraw/zinc/24/97/10/179249710.db2.gz XKLUVCDLRFMMMO-UONOGXRCSA-N 2 0 253.434 1.789 10 0 CDAERP CCC[NH+]1CCC(N2CC(C)(C)[NH2+]C[C@H]2C)CC1 ZINC000086227325 179254539 /nfs/dbraw/zinc/25/45/39/179254539.db2.gz LKDOAEMQVQBUHO-CYBMUJFWSA-N 2 0 253.434 1.933 10 0 CDAERP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623494989 347603958 /nfs/dbraw/zinc/60/39/58/347603958.db2.gz MAFMPAICNWZFNV-JKSUJKDBSA-N 3 0 296.503 1.475 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCc3nc[nH]c3C2)CC1(C)C ZINC000623527728 347616741 /nfs/dbraw/zinc/61/67/41/347616741.db2.gz DYGZEBGWNFRDDO-VXGBXAGGSA-N 2 0 262.401 1.729 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2(N3CCOCC3)CC2)CC1(C)C ZINC000623508452 347609341 /nfs/dbraw/zinc/60/93/41/347609341.db2.gz YTWWHYGITTZOKT-AWEZNQCLSA-N 2 0 281.444 1.314 10 0 CDAERP C[C@H](CN[C@H](C)[C@H]1CC[NH2+]C1)C[NH+]1CCCCC1 ZINC000400422973 365936545 /nfs/dbraw/zinc/93/65/45/365936545.db2.gz XQLHWTDVXFOONU-KFWWJZLASA-N 2 0 253.434 1.696 10 0 CDAERP [NH3+]C/C=C/CNC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000641862478 365947012 /nfs/dbraw/zinc/94/70/12/365947012.db2.gz OOUBBSVPZYRNPW-SNAWJCMRSA-N 2 0 276.384 1.062 10 0 CDAERP CC(C)[NH+](CCNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)C(C)C ZINC000416797840 535068849 /nfs/dbraw/zinc/06/88/49/535068849.db2.gz BMBFQSFZBJTCLL-LSDHHAIUSA-N 2 0 296.459 1.499 10 0 CDAERP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000073812932 350047649 /nfs/dbraw/zinc/04/76/49/350047649.db2.gz QFWXQOAVMAAYRY-CABCVRRESA-N 2 0 296.459 1.596 10 0 CDAERP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)N[C@H]1CCC[NH+](C)C1 ZINC000073812930 350047765 /nfs/dbraw/zinc/04/77/65/350047765.db2.gz QFWXQOAVMAAYRY-GJZGRUSLSA-N 2 0 296.459 1.596 10 0 CDAERP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CCOCCC[NH3+] ZINC000629536680 362951211 /nfs/dbraw/zinc/95/12/11/362951211.db2.gz GWXJKQIAZJMPLT-DZGCQCFKSA-N 2 0 266.385 1.718 10 0 CDAERP COc1cc([C@@H](C)[NH2+]CCOCCC[NH3+])ccc1F ZINC000629538125 362953668 /nfs/dbraw/zinc/95/36/68/362953668.db2.gz MHHMOCKUKVWVAA-LLVKDONJSA-N 2 0 270.348 1.850 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000629539035 362955456 /nfs/dbraw/zinc/95/54/56/362955456.db2.gz OYLZKWIXWJYXLT-ZDUSSCGKSA-N 2 0 270.323 1.907 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000629535170 362960574 /nfs/dbraw/zinc/96/05/74/362960574.db2.gz BTIIPOLJNACONJ-SOUVJXGZSA-N 2 0 270.417 1.537 10 0 CDAERP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1oc(C)nc1C ZINC000628234014 362965501 /nfs/dbraw/zinc/96/55/01/362965501.db2.gz HMGBLVVFHFGAMV-ZDUSSCGKSA-N 2 0 269.389 1.738 10 0 CDAERP CCn1nccc1CC[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000621776568 350773381 /nfs/dbraw/zinc/77/33/81/350773381.db2.gz OTTYWCRMKISNHY-STQMWFEESA-N 2 0 250.390 1.362 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622003895 350926859 /nfs/dbraw/zinc/92/68/59/350926859.db2.gz HEGTVCLQONTYBP-RDJZCZTQSA-N 2 0 297.406 1.889 10 0 CDAERP Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H](C)C(=O)N(C)C)C2)[nH+]1 ZINC000151109951 363054003 /nfs/dbraw/zinc/05/40/03/363054003.db2.gz ZUMYARSSZIWYID-UONOGXRCSA-N 2 0 290.411 1.601 10 0 CDAERP Cn1ccc(C[NH2+]CCCC[NH+]2CCOCC2)c1 ZINC000123311708 187084234 /nfs/dbraw/zinc/08/42/34/187084234.db2.gz NNXGGQVDEBDONI-UHFFFAOYSA-N 2 0 251.374 1.227 10 0 CDAERP CCCC[NH+]1CCC(N[C@@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000400407743 282798424 /nfs/dbraw/zinc/79/84/24/282798424.db2.gz SEANJBIFHXFUHR-UONOGXRCSA-N 2 0 253.434 1.839 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000629592372 363102656 /nfs/dbraw/zinc/10/26/56/363102656.db2.gz AYKWSRWKEAVOID-KFWWJZLASA-N 3 0 251.418 1.308 10 0 CDAERP CC[NH2+]Cc1ccccc1NC(=O)C[C@@H](C[NH3+])OC ZINC000565539539 293632164 /nfs/dbraw/zinc/63/21/64/293632164.db2.gz BHWHBBWCSMHMBB-LBPRGKRZSA-N 2 0 265.357 1.098 10 0 CDAERP C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@@H]1CCCN(C)C1 ZINC000644548240 366166156 /nfs/dbraw/zinc/16/61/56/366166156.db2.gz WBQCNUPPVHQYEN-FVQBIDKESA-N 2 0 262.397 1.835 10 0 CDAERP COC1(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)CCC1 ZINC000336187645 356013975 /nfs/dbraw/zinc/01/39/75/356013975.db2.gz NMAVUAYUSRZGDW-KGLIPLIRSA-N 2 0 252.402 1.972 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@H+]([C@H]2C[C@@H]([NH3+])C23CCOCC3)C1 ZINC000725264370 538455600 /nfs/dbraw/zinc/45/56/00/538455600.db2.gz JBBTWCBICOVLJG-RQJABVFESA-N 2 0 252.402 1.861 10 0 CDAERP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000070170497 356845644 /nfs/dbraw/zinc/84/56/44/356845644.db2.gz GFDGSPQYRGXNCL-LLVKDONJSA-N 2 0 297.349 1.964 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106915023 357286669 /nfs/dbraw/zinc/28/66/69/357286669.db2.gz LEKHPJAACQKXLJ-INIZCTEOSA-N 2 0 291.439 1.616 10 0 CDAERP C[C@H]([NH2+]C[C@H](c1ccco1)N(C)C)[C@@H]1CCC[NH2+]C1 ZINC000564825374 357277478 /nfs/dbraw/zinc/27/74/78/357277478.db2.gz AIRDSFXCURKYNI-BFHYXJOUSA-N 2 0 265.401 1.860 10 0 CDAERP CCn1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cn1 ZINC000367614638 357332118 /nfs/dbraw/zinc/33/21/18/357332118.db2.gz INVACTGHCVZQII-RRFJBIMHSA-N 2 0 262.401 1.865 10 0 CDAERP CN(C)c1cc[nH+]cc1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000183562212 357462913 /nfs/dbraw/zinc/46/29/13/357462913.db2.gz YHPJAGFXLFGKIH-UHFFFAOYSA-N 2 0 290.411 1.752 10 0 CDAERP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)N2CC[NH+](C)CC2)C1 ZINC000684377696 482780527 /nfs/dbraw/zinc/78/05/27/482780527.db2.gz VDVNQNVLMWDYQW-QLFBSQMISA-N 2 0 269.433 1.170 10 0 CDAERP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@@H](C)CO)C1 ZINC000678045110 538880712 /nfs/dbraw/zinc/88/07/12/538880712.db2.gz XROQIJIKOKXKCD-KGLIPLIRSA-N 2 0 258.406 1.048 10 0 CDAERP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](COC)OC)C1 ZINC000659982325 412661042 /nfs/dbraw/zinc/66/10/42/412661042.db2.gz KBNSVVXYLMDHEN-ZIAGYGMSSA-N 2 0 258.406 1.312 10 0 CDAERP C[N@H+](C[C@@H](O)COCc1ccccc1)C[C@H]1CC[NH+](C)C1 ZINC000119375798 357935904 /nfs/dbraw/zinc/93/59/04/357935904.db2.gz UKQIRIGCXWYQAX-DLBZAZTESA-N 2 0 292.423 1.448 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)C1CC1 ZINC000354074647 283337451 /nfs/dbraw/zinc/33/74/51/283337451.db2.gz JAZXUPZKYIHXQK-AWEZNQCLSA-N 2 0 267.417 1.413 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@@H]1C[C@H]3CCCC[C@H]3[NH2+]1)C2 ZINC000634750348 358235433 /nfs/dbraw/zinc/23/54/33/358235433.db2.gz UWVNKKZOJOUPAC-WDTWZTHCSA-N 2 0 291.439 1.365 10 0 CDAERP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634761950 358427693 /nfs/dbraw/zinc/42/76/93/358427693.db2.gz MUXGKBYKXRVAFI-WOPDTQHZSA-N 2 0 255.406 1.254 10 0 CDAERP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCC2(C[NH3+])CC2)[C@@H]1C ZINC000593318236 358611208 /nfs/dbraw/zinc/61/12/08/358611208.db2.gz BVTCFGDENSRDKB-AGIUHOORSA-N 2 0 268.401 1.683 10 0 CDAERP COC(=O)c1coc([C@H](C)[NH2+]CCC2(C[NH3+])CC2)c1 ZINC000593318514 358611309 /nfs/dbraw/zinc/61/13/09/358611309.db2.gz CNXACWVXYBTUPJ-JTQLQIEISA-N 2 0 266.341 1.846 10 0 CDAERP COC(=O)c1cnc([C@@H](C)[NH2+]CCC2(C[NH3+])CC2)s1 ZINC000593318721 358611330 /nfs/dbraw/zinc/61/13/30/358611330.db2.gz GBOWAGKQPDGHTR-SECBINFHSA-N 2 0 283.397 1.709 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]C1)c1cccs1 ZINC000054308712 358712218 /nfs/dbraw/zinc/71/22/18/358712218.db2.gz JQBPXFYKAFBGRM-STQMWFEESA-N 2 0 295.452 1.857 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000346462441 359015108 /nfs/dbraw/zinc/01/51/08/359015108.db2.gz QNDMKMBFYHGYRK-KBUPBQIOSA-N 2 0 281.444 1.800 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CN1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000262103566 359133959 /nfs/dbraw/zinc/13/39/59/359133959.db2.gz VUIPWVGJWKPSND-SJORKVTESA-N 3 0 294.487 1.088 10 0 CDAERP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262328852 359159348 /nfs/dbraw/zinc/15/93/48/359159348.db2.gz DSGSLCRUPZIXHZ-ZNMIVQPWSA-N 2 0 281.444 1.755 10 0 CDAERP [NH3+]CCCC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000037826169 359234054 /nfs/dbraw/zinc/23/40/54/359234054.db2.gz JDRJBXPWQXUKAV-UHFFFAOYSA-N 2 0 253.390 1.060 10 0 CDAERP C[C@H]1c2ccccc2CN1CC(=O)N1CCN(C)CC1 ZINC000336485280 363629011 /nfs/dbraw/zinc/62/90/11/363629011.db2.gz IFPOOYZNUWKABU-ZDUSSCGKSA-N 2 0 273.380 1.337 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000660010501 412688590 /nfs/dbraw/zinc/68/85/90/412688590.db2.gz BECGJSCOFZYEJM-QKPAOTATSA-N 2 0 291.439 1.271 10 0 CDAERP C[C@H](CN[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)[N@@H+]1CCC[C@@H](C)C1 ZINC000422866457 359663707 /nfs/dbraw/zinc/66/37/07/359663707.db2.gz QHDHBSCONHABTI-JHNDHUHGSA-N 2 0 295.471 1.463 10 0 CDAERP CCc1nn(C)c(CC)c1C[NH2+][C@H](CCC[NH3+])COC ZINC000422998747 359707009 /nfs/dbraw/zinc/70/70/09/359707009.db2.gz DEDMGYCYPKEMPA-GFCCVEGCSA-N 2 0 282.432 1.388 10 0 CDAERP C[N@H+](CCCC[NH2+][C@H](C1CC1)[C@H]1CNCCO1)C1CC1 ZINC000423157094 359753410 /nfs/dbraw/zinc/75/34/10/359753410.db2.gz AFNBMZLIRRVZRL-HZPDHXFCSA-N 2 0 281.444 1.217 10 0 CDAERP C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000423408449 359772838 /nfs/dbraw/zinc/77/28/38/359772838.db2.gz XMRXFIKDYJXOKE-UMVBOHGHSA-N 2 0 275.396 1.991 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1NCCc2ccccc21 ZINC000423416648 359776195 /nfs/dbraw/zinc/77/61/95/359776195.db2.gz FXSKKHGEWARDOP-GDBMZVCRSA-N 2 0 277.412 1.217 10 0 CDAERP O=C(NCC[NH2+]C1CC1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000637362908 359796204 /nfs/dbraw/zinc/79/62/04/359796204.db2.gz JWWGVZVKWUDZCD-HNNXBMFYSA-N 2 0 294.443 1.398 10 0 CDAERP COc1ccc([C@H](NC[C@H]([NH3+])C2CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423320059 359766279 /nfs/dbraw/zinc/76/62/79/359766279.db2.gz MAJPZCUSUKHODY-ULQDDVLXSA-N 2 0 289.423 1.815 10 0 CDAERP O[C@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)CC1(O)CCC1 ZINC000528350536 359960906 /nfs/dbraw/zinc/96/09/06/359960906.db2.gz LSZRKTTWERZXNO-INIZCTEOSA-N 2 0 296.455 1.460 10 0 CDAERP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCN(C)C(=O)C1 ZINC000424369213 360024018 /nfs/dbraw/zinc/02/40/18/360024018.db2.gz CJIIATBDFVANOW-CWRNSKLLSA-N 2 0 289.423 1.403 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC[N@@H+]1C ZINC000262671052 360026656 /nfs/dbraw/zinc/02/66/56/360026656.db2.gz NYDDDLYXVSKFDN-JKJDWNRSSA-N 2 0 293.455 1.848 10 0 CDAERP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CCN(C)C(=O)C2)CC1 ZINC000424314426 360003977 /nfs/dbraw/zinc/00/39/77/360003977.db2.gz BBMRMEQOCJFCHK-CYBMUJFWSA-N 2 0 267.417 1.317 10 0 CDAERP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000335430598 360170170 /nfs/dbraw/zinc/17/01/70/360170170.db2.gz RYKDPPUDVUFMRI-ZFWWWQNUSA-N 2 0 273.380 1.213 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000626917509 360628662 /nfs/dbraw/zinc/62/86/62/360628662.db2.gz FPWVIQRDNVHNFS-CMPLNLGQSA-N 2 0 282.432 1.345 10 0 CDAERP C[C@H]1CC[C@@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C[NH2+]1 ZINC000626918324 360630853 /nfs/dbraw/zinc/63/08/53/360630853.db2.gz YWUXUKSOPHXYQR-NWDGAFQWSA-N 2 0 296.459 1.735 10 0 CDAERP CC(C)[NH+](CCNC(=O)N[C@H]1CC[C@H](C)[NH2+]C1)C(C)C ZINC000626919853 360635402 /nfs/dbraw/zinc/63/54/02/360635402.db2.gz NMQFWCYLZYHVBC-KBPBESRZSA-N 2 0 284.448 1.545 10 0 CDAERP C[C@@H]1CCN(C(=O)[C@@H](C[NH3+])c2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000417836974 360781470 /nfs/dbraw/zinc/78/14/70/360781470.db2.gz MAQGFXJAHUXVPW-KYOSRNDESA-N 2 0 293.386 1.311 10 0 CDAERP C[C@H]1C[N@H+](CCC[NH2+][C@H]2CCCSC2)CCCO1 ZINC000432359483 361156519 /nfs/dbraw/zinc/15/65/19/361156519.db2.gz QQNLBEUPEOCQQB-KBPBESRZSA-N 2 0 272.458 1.973 10 0 CDAERP CC(C)NC(=O)CC[N@H+](C)CCCn1ccnc1 ZINC000181106507 189288319 /nfs/dbraw/zinc/28/83/19/189288319.db2.gz LGKMSLWOZSDHQE-UHFFFAOYSA-N 2 0 252.362 1.120 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000423977886 291281153 /nfs/dbraw/zinc/28/11/53/291281153.db2.gz KRVNCNWGJORKDK-WCFLWFBJSA-N 2 0 253.390 1.232 10 0 CDAERP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NCC[NH2+]C1CC1 ZINC000644083512 363801073 /nfs/dbraw/zinc/80/10/73/363801073.db2.gz MLHFIGKFRFRTOV-STQMWFEESA-N 2 0 253.390 1.152 10 0 CDAERP O[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C[NH+]1CCCCC1 ZINC000166281706 364337580 /nfs/dbraw/zinc/33/75/80/364337580.db2.gz IRCXMYDRRXOAKL-ARFHVFGLSA-N 2 0 281.444 1.050 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000357234929 366849105 /nfs/dbraw/zinc/84/91/05/366849105.db2.gz OVJZOTFOJTUBQM-RBSFLKMASA-N 2 0 281.444 1.802 10 0 CDAERP C[C@@H](NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)[C@H](C)[NH3+] ZINC000418727145 296068944 /nfs/dbraw/zinc/06/89/44/296068944.db2.gz OZYBJMHRWBDGGC-OUCADQQQSA-N 2 0 282.432 1.095 10 0 CDAERP [NH2+]=C(NCc1ccccc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]12 ZINC000306985224 364932842 /nfs/dbraw/zinc/93/28/42/364932842.db2.gz NADRXYCNMMKLSP-KGLIPLIRSA-N 2 0 258.369 1.537 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCN2CCCCC2=O)[C@@H]2CCC[C@@H]21 ZINC000353500050 365258697 /nfs/dbraw/zinc/25/86/97/365258697.db2.gz VXSZRCZAJNAKJN-JYJNAYRXSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@H]([NH2+]CCCOC[C@@H]1CCCO1)[C@@H]1CC[NH2+]C1 ZINC000400347021 366951983 /nfs/dbraw/zinc/95/19/83/366951983.db2.gz HVYZZCUNIZQYDJ-MJBXVCDLSA-N 2 0 256.390 1.160 10 0 CDAERP C[C@H]([NH2+]C1CCN(c2ccccn2)CC1)[C@@H]1CCC[NH2+]1 ZINC000400422904 366955365 /nfs/dbraw/zinc/95/53/65/366955365.db2.gz XOBRMNBSLYHNRV-ZFWWWQNUSA-N 2 0 274.412 1.781 10 0 CDAERP C[C@H]([NH2+]C[C@H]1COc2ccccc2O1)[C@H]1CC[NH2+]C1 ZINC000400732713 366973430 /nfs/dbraw/zinc/97/34/30/366973430.db2.gz RCDIKRSEGKBPPK-AVGNSLFASA-N 2 0 262.353 1.414 10 0 CDAERP CC[N@H+](C)C[C@H](O)CN1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000566834750 370821470 /nfs/dbraw/zinc/82/14/70/370821470.db2.gz DCSZMEXGKVIAFA-MELADBBJSA-N 2 0 272.433 1.028 10 0 CDAERP FC(F)(F)[C@@H](C[NH2+][C@@H]1CCCSC1)N1CC[NH2+]CC1 ZINC000414993285 241507501 /nfs/dbraw/zinc/50/75/01/241507501.db2.gz UIQWCESSBSYSBZ-GHMZBOCLSA-N 2 0 297.390 1.308 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCCC[NH+]1CCCCC1 ZINC000416872568 242199771 /nfs/dbraw/zinc/19/97/71/242199771.db2.gz MAYKXRZZFZZHHI-KGLIPLIRSA-N 2 0 282.432 1.160 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C)CCCC[NH3+] ZINC000417012194 242266479 /nfs/dbraw/zinc/26/64/79/242266479.db2.gz WGDNUWKCNAXDLI-QWHCGFSZSA-N 2 0 272.437 1.533 10 0 CDAERP c1cn(Cc2ccccc2)c(CN[C@H]2CCC[NH2+]C2)n1 ZINC000414866587 367999964 /nfs/dbraw/zinc/99/99/64/367999964.db2.gz NFTZSBGJRXXVTM-HNNXBMFYSA-N 2 0 270.380 1.773 10 0 CDAERP [NH3+]C1CCC(OCC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000645288944 368256687 /nfs/dbraw/zinc/25/66/87/368256687.db2.gz GBMNCZGDIMICIC-UHFFFAOYSA-N 2 0 295.427 1.016 10 0 CDAERP CC(C)[C@H]([NH3+])CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000638104008 368382231 /nfs/dbraw/zinc/38/22/31/368382231.db2.gz KKCPFMFQBCOURO-QLFBSQMISA-N 2 0 296.459 1.626 10 0 CDAERP CCC([NH3+])(CC)CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418434230 243071133 /nfs/dbraw/zinc/07/11/33/243071133.db2.gz FBUYAEREKNKBDQ-FUNVUKJBSA-N 2 0 282.432 1.428 10 0 CDAERP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000418730832 243385305 /nfs/dbraw/zinc/38/53/05/243385305.db2.gz SMJQKEANDPBOKD-KBPBESRZSA-N 2 0 284.448 1.630 10 0 CDAERP C[C@@H]1COCCN1CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353493728 368829321 /nfs/dbraw/zinc/82/93/21/368829321.db2.gz VESGOULXLHKLGJ-KLHDSHLOSA-N 2 0 281.444 1.170 10 0 CDAERP Cc1ccc(C[N@H+](CCO)CCCn2ccnc2C)o1 ZINC000361508562 368860254 /nfs/dbraw/zinc/86/02/54/368860254.db2.gz NKRBALACAIXRJL-UHFFFAOYSA-N 2 0 277.368 1.978 10 0 CDAERP O[C@@]1(C[NH2+]Cc2cc(-n3ccnc3)cs2)CCOC1 ZINC000543241878 368898848 /nfs/dbraw/zinc/89/88/48/368898848.db2.gz OFOIMITUNQQVHP-CYBMUJFWSA-N 2 0 279.365 1.175 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000543641291 368942985 /nfs/dbraw/zinc/94/29/85/368942985.db2.gz MLNKRBGKABFGRC-KBPBESRZSA-N 2 0 282.432 1.206 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCN2CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000367612096 369197920 /nfs/dbraw/zinc/19/79/20/369197920.db2.gz CSTRIKPTHCZASH-JYJNAYRXSA-N 2 0 281.444 1.171 10 0 CDAERP C[NH+]1CCC(N[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000367617026 369200463 /nfs/dbraw/zinc/20/04/63/369200463.db2.gz PIIURKOFECWLPS-KFWWJZLASA-N 2 0 251.418 1.543 10 0 CDAERP O=C([C@H]1C[C@@]12CC[NH2+]C2)N1CCC(C[NH+]2CCCC2)CC1 ZINC000335823660 296146352 /nfs/dbraw/zinc/14/63/52/296146352.db2.gz PCGSJGAVMYTTIG-NVXWUHKLSA-N 2 0 291.439 1.320 10 0 CDAERP O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCN(C2CC2)CC1 ZINC000369776478 369877211 /nfs/dbraw/zinc/87/72/11/369877211.db2.gz AOAGVECBUAVBCF-ZFWWWQNUSA-N 2 0 292.427 1.103 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)CSC)[C@H](C)C1 ZINC000249423060 370147795 /nfs/dbraw/zinc/14/77/95/370147795.db2.gz DXOXASOPZSTQQD-UPJWGTAASA-N 2 0 260.447 1.372 10 0 CDAERP COCC[NH2+]C1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000565091930 370349040 /nfs/dbraw/zinc/34/90/40/370349040.db2.gz FQOHBZCGOKCDLB-UHFFFAOYSA-N 2 0 298.349 1.656 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@H]1COc2c(cccc2OC)C1 ZINC000643452086 370447277 /nfs/dbraw/zinc/44/72/77/370447277.db2.gz XMMITPFVNREEJJ-ZIAGYGMSSA-N 2 0 294.395 1.342 10 0 CDAERP [NH3+]C[C@H](C(=O)NCC[N@H+]1CC=CCC1)c1ccc(F)cc1 ZINC000565948844 370573506 /nfs/dbraw/zinc/57/35/06/370573506.db2.gz KNBKDJDVSLOOGR-HNNXBMFYSA-N 2 0 291.370 1.246 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCCN(c2ccccc2)C1 ZINC000422739874 245200153 /nfs/dbraw/zinc/20/01/53/245200153.db2.gz AOJOWLADUPAHHH-CVEARBPZSA-N 2 0 291.439 1.999 10 0 CDAERP CC[N@@H+]1CC[C@H](C[NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000163258663 371098064 /nfs/dbraw/zinc/09/80/64/371098064.db2.gz YEYZNGASLMPRLN-GFCCVEGCSA-N 2 0 275.387 1.647 10 0 CDAERP CCOC(=O)C1([C@H](C)[NH2+]CCCC[NH+](C)C)CC[NH2+]CC1 ZINC000422778422 245247179 /nfs/dbraw/zinc/24/71/79/245247179.db2.gz HKXYYEQDJSJCHY-AWEZNQCLSA-N 3 0 299.459 1.239 10 0 CDAERP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCC1(C[NH3+])CC1 ZINC000652137341 412787490 /nfs/dbraw/zinc/78/74/90/412787490.db2.gz HRUAPCSMKUYFBB-ZIAGYGMSSA-N 2 0 296.459 1.535 10 0 CDAERP C[NH2+]C[C@@H]1CCCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000567834366 371165351 /nfs/dbraw/zinc/16/53/51/371165351.db2.gz RXVPCCBSDUUJGA-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H]1CC[N@H+](CCNC(=O)[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000573850510 371681677 /nfs/dbraw/zinc/68/16/77/371681677.db2.gz QUUCUOKRCKTZMQ-STQMWFEESA-N 2 0 267.417 1.223 10 0 CDAERP C[C@@H]1CCC[N@H+](CCNC(=O)N2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000171900906 372231172 /nfs/dbraw/zinc/23/11/72/372231172.db2.gz DNSADMNAWDPQDK-HUUCEWRRSA-N 2 0 294.443 1.208 10 0 CDAERP [NH3+][C@H]1C[C@@H](C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)C1 ZINC000580774880 372686628 /nfs/dbraw/zinc/68/66/28/372686628.db2.gz CADHRLUPPBBLET-BEAPCOKYSA-N 2 0 291.370 1.206 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000340995841 373150046 /nfs/dbraw/zinc/15/00/46/373150046.db2.gz WXSGDIWGAHSFAY-CVEARBPZSA-N 2 0 293.455 1.948 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)[C@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000645684736 373234170 /nfs/dbraw/zinc/23/41/70/373234170.db2.gz DVKWABMUAMLGOT-UONOGXRCSA-N 2 0 279.359 1.078 10 0 CDAERP Cc1ccncc1N1CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000341103631 373298690 /nfs/dbraw/zinc/29/86/90/373298690.db2.gz HEAFVVAPKGYCKV-INIZCTEOSA-N 2 0 288.439 1.996 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)N(C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000341117544 373315012 /nfs/dbraw/zinc/31/50/12/373315012.db2.gz FKYWPPPHICKRSV-CABCVRRESA-N 2 0 298.475 1.842 10 0 CDAERP C[C@@H]1C[N@H+](CCc2ccc3c(c2)CCO3)C[C@H]1C[NH3+] ZINC000631839929 373785476 /nfs/dbraw/zinc/78/54/76/373785476.db2.gz MNSSNJUYLBJUIC-IUODEOHRSA-N 2 0 260.381 1.691 10 0 CDAERP Cn1cncc1CCC[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000640046131 374092419 /nfs/dbraw/zinc/09/24/19/374092419.db2.gz TUJYTVNKNHPTBQ-CMPLNLGQSA-N 2 0 291.317 1.455 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](CO)[C@@H](C)c1ccccc1 ZINC000643474449 374272725 /nfs/dbraw/zinc/27/27/25/374272725.db2.gz NMQRFSLBODPBAS-BPUTZDHNSA-N 2 0 280.412 1.495 10 0 CDAERP C[C@H]1C[N@H+](C)C[C@@H]1Nc1cccc(OCC[NH+](C)C)c1 ZINC000342902395 374717169 /nfs/dbraw/zinc/71/71/69/374717169.db2.gz NZNFMPLUJPVADD-BBRMVZONSA-N 2 0 277.412 1.989 10 0 CDAERP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000334321123 374897805 /nfs/dbraw/zinc/89/78/05/374897805.db2.gz WNSQTFDLPVMFHV-LSDHHAIUSA-N 2 0 293.455 1.886 10 0 CDAERP C[C@H]1CN(C)C[C@H]1[NH2+]CCc1nnc2n1CCCCC2 ZINC000343151421 374932621 /nfs/dbraw/zinc/93/26/21/374932621.db2.gz HKTJJLRHSSIKBP-QWHCGFSZSA-N 2 0 277.416 1.087 10 0 CDAERP COC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000126435226 374999171 /nfs/dbraw/zinc/99/91/71/374999171.db2.gz YQNAFBMHYSMREX-JKSUJKDBSA-N 2 0 284.444 1.438 10 0 CDAERP CC[C@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)[NH+](C)C ZINC000130116265 375264010 /nfs/dbraw/zinc/26/40/10/375264010.db2.gz YMWIWMSGQFZAAV-OAHLLOKOSA-N 2 0 281.444 1.661 10 0 CDAERP Cc1nc(N)nc(NC2CC[NH+](CC3CCCC3)CC2)n1 ZINC000631083165 375489302 /nfs/dbraw/zinc/48/93/02/375489302.db2.gz GXLHBMBWVKFXOO-UHFFFAOYSA-N 2 0 290.415 1.659 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000417239775 375740407 /nfs/dbraw/zinc/74/04/07/375740407.db2.gz OMMRHBRBLUTYCK-RDBSUJKOSA-N 2 0 296.459 1.628 10 0 CDAERP C[C@H](CNC(=O)N[C@H]1C[NH2+]CC[C@H]1C)[NH+]1CCC(C)CC1 ZINC000417314409 375766819 /nfs/dbraw/zinc/76/68/19/375766819.db2.gz REXASKVAUCMNNE-KFWWJZLASA-N 2 0 296.459 1.404 10 0 CDAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1CCC[NH+]1CCCC1 ZINC000245580012 376097162 /nfs/dbraw/zinc/09/71/62/376097162.db2.gz CBSLDYJFQJEAMD-GJZGRUSLSA-N 2 0 251.418 1.641 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)C[C@H]2CC[NH2+]C2)CC1 ZINC000638975743 376321374 /nfs/dbraw/zinc/32/13/74/376321374.db2.gz OTSSWNPJFBXEHU-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP CC[C@H]([NH2+]C)C(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000638980943 376339176 /nfs/dbraw/zinc/33/91/76/376339176.db2.gz PJIDBVQXAQTAEJ-LBPRGKRZSA-N 2 0 255.406 1.317 10 0 CDAERP C[NH2+]CC1CC[NH+]([C@H]2CCN(C3CCC3)C2=O)CC1 ZINC000631821686 376642476 /nfs/dbraw/zinc/64/24/76/376642476.db2.gz FYPSHXBNHHZQTF-AWEZNQCLSA-N 2 0 265.401 1.071 10 0 CDAERP Cc1ccc2nc(C[N@@H+]3C[C@@H](C[NH3+])[C@H](C)C3)cc(=O)n2c1 ZINC000631842692 376699729 /nfs/dbraw/zinc/69/97/29/376699729.db2.gz DNXMIRKBYAYNJR-CHWSQXEVSA-N 2 0 286.379 1.030 10 0 CDAERP CCOc1ccc(OCC[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000631842885 376704069 /nfs/dbraw/zinc/70/40/69/376704069.db2.gz HCYBPTLIUVSMIP-KGLIPLIRSA-N 2 0 278.396 1.991 10 0 CDAERP CC[NH+](CC)CCCNC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000416820702 284601836 /nfs/dbraw/zinc/60/18/36/284601836.db2.gz SQBKCOUEQLKZMQ-STQMWFEESA-N 2 0 270.421 1.016 10 0 CDAERP CS[C@@H]1CC[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000425365714 376966566 /nfs/dbraw/zinc/96/65/66/376966566.db2.gz YOXKTPDUXQTBDE-FRRDWIJNSA-N 2 0 258.431 1.317 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N[C@H]1C[NH+](C(C)C)C[C@H]1C ZINC000247478942 377125586 /nfs/dbraw/zinc/12/55/86/377125586.db2.gz VYJINJHIJQJWOE-CABCVRRESA-N 2 0 298.475 1.746 10 0 CDAERP O[C@H](CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C(F)(F)F ZINC000248388559 377236786 /nfs/dbraw/zinc/23/67/86/377236786.db2.gz FCXZAWLOZUWGNJ-WCFLWFBJSA-N 2 0 292.345 1.858 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000334796285 377410684 /nfs/dbraw/zinc/41/06/84/377410684.db2.gz DQVJOGKWWHRCJG-UKRRQHHQSA-N 2 0 265.401 1.073 10 0 CDAERP CCC[C@@H](C(=O)NCC[N@H+](CC)C1CC1)[NH+](C)C ZINC000161990752 377816547 /nfs/dbraw/zinc/81/65/47/377816547.db2.gz LUOFWQHLRKTDHS-ZDUSSCGKSA-N 2 0 255.406 1.317 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CC[C@H](C[NH3+])C1 ZINC000417527144 377862388 /nfs/dbraw/zinc/86/23/88/377862388.db2.gz DFJIWICQTFLIHU-HZSPNIEDSA-N 2 0 282.432 1.240 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000261761364 377898115 /nfs/dbraw/zinc/89/81/15/377898115.db2.gz RDXHWWWHIXFZLT-JHJVBQTASA-N 2 0 253.390 1.118 10 0 CDAERP C[C@H]([NH3+])CCC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000193176197 378270499 /nfs/dbraw/zinc/27/04/99/378270499.db2.gz IDPDTZOYENRJGV-AWEZNQCLSA-N 2 0 297.443 1.265 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000193176215 378270685 /nfs/dbraw/zinc/27/06/85/378270685.db2.gz IDPDTZOYENRJGV-CQSZACIVSA-N 2 0 297.443 1.265 10 0 CDAERP CC(C)OCC[NH+]1CCC(NC(=O)CC[C@@H](C)[NH3+])CC1 ZINC000193322065 378274807 /nfs/dbraw/zinc/27/48/07/378274807.db2.gz GUOHTQFOZFXXRB-CYBMUJFWSA-N 2 0 285.432 1.119 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)NC2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000173392793 378309069 /nfs/dbraw/zinc/30/90/69/378309069.db2.gz HUPHQONTHIITIH-OCCSQVGLSA-N 2 0 282.432 1.205 10 0 CDAERP C[NH+](C)CCC[C@@H]1C[N@H+](CC2CCC(=O)CC2)CCO1 ZINC000662324314 412892289 /nfs/dbraw/zinc/89/22/89/412892289.db2.gz UYQWBADDGSFTRG-MRXNPFEDSA-N 2 0 282.428 1.788 10 0 CDAERP Cc1n[nH]c(C)c1C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000657572709 412903929 /nfs/dbraw/zinc/90/39/29/412903929.db2.gz CGSDTRYZWNPBEE-LBPRGKRZSA-N 2 0 281.448 1.388 10 0 CDAERP COc1ccc(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)cn1 ZINC000657573774 412907392 /nfs/dbraw/zinc/90/73/92/412907392.db2.gz TUDVMAZTHSYHEJ-AWEZNQCLSA-N 2 0 294.443 1.452 10 0 CDAERP CC[C@H]([NH2+]C)C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000662356778 412918390 /nfs/dbraw/zinc/91/83/90/412918390.db2.gz XMUOOBKHUABPHA-KBPBESRZSA-N 2 0 263.385 1.404 10 0 CDAERP C[C@@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)C(C)(C)C[NH+](C)C ZINC000655919570 412929031 /nfs/dbraw/zinc/92/90/31/412929031.db2.gz HRZNJFDHDHIAJM-BDAKNGLRSA-N 2 0 298.353 1.152 10 0 CDAERP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@H](C[NH3+])C(F)(F)F)C[C@@H]1C ZINC000655921403 412930786 /nfs/dbraw/zinc/93/07/86/412930786.db2.gz LTULIRITQBPNIL-LPEHRKFASA-N 2 0 296.337 1.000 10 0 CDAERP COC[C@H](C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)OC ZINC000660116461 412931525 /nfs/dbraw/zinc/93/15/25/412931525.db2.gz ZXSVMNMRTYQTLN-BPUTZDHNSA-N 2 0 282.428 1.597 10 0 CDAERP O=C1CCCN1CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422766131 296318374 /nfs/dbraw/zinc/31/83/74/296318374.db2.gz LJVNCPZGWCWGCI-KFWWJZLASA-N 2 0 279.428 1.509 10 0 CDAERP CC(C)[C@H](CNC(=O)CCCCCC[NH3+])[NH+](C)C ZINC000040825555 184550009 /nfs/dbraw/zinc/55/00/09/184550009.db2.gz KFKLIBFMCHLLGZ-ZDUSSCGKSA-N 2 0 257.422 1.598 10 0 CDAERP c1ccc2c(c1)CC[NH+](CCN1CCC[NH2+]CC1)CC2 ZINC000079574110 184593857 /nfs/dbraw/zinc/59/38/57/184593857.db2.gz DKMODRQLNFXCPG-UHFFFAOYSA-N 2 0 273.424 1.383 10 0 CDAERP CCC(C)(C)[NH+]1CCN(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000655966744 412978742 /nfs/dbraw/zinc/97/87/42/412978742.db2.gz GLQSZJMTNPYMLA-KGLIPLIRSA-N 2 0 296.459 1.500 10 0 CDAERP C[NH+]1CCC(CNC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000664001818 413010845 /nfs/dbraw/zinc/01/08/45/413010845.db2.gz AOCIVDNTYHNJFB-CQSZACIVSA-N 2 0 296.459 1.500 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000653349387 413021973 /nfs/dbraw/zinc/02/19/73/413021973.db2.gz NEDVYZIPRIBSFH-ZOBUZTSGSA-N 2 0 293.455 1.838 10 0 CDAERP CC/C=C\CC[N@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001663267396 1172664487 /nfs/dbraw/zinc/66/44/87/1172664487.db2.gz ZWBJDYDVOKFLHG-WAYWQWQTSA-N 2 0 281.444 1.733 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)[C@](C)([NH3+])c2ccccc2)C1 ZINC000052882619 413040059 /nfs/dbraw/zinc/04/00/59/413040059.db2.gz MJEMXUVVEUXMKN-UKRRQHHQSA-N 2 0 261.369 1.071 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000647086275 390395785 /nfs/dbraw/zinc/39/57/85/390395785.db2.gz DMYSHPMRLKNAEN-UMVBOHGHSA-N 2 0 267.417 1.304 10 0 CDAERP CC(C)NC(=O)CC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000152338605 390631920 /nfs/dbraw/zinc/63/19/20/390631920.db2.gz ZPKPVWZGCUXPJA-ZDUSSCGKSA-N 2 0 255.406 1.175 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@]1(C)CCC[NH2+]1 ZINC000092630308 390902039 /nfs/dbraw/zinc/90/20/39/390902039.db2.gz MPROGKCBYXHLNT-JSGCOSHPSA-N 2 0 253.390 1.071 10 0 CDAERP C[N@H+](C[C@H](O)COC(C)(C)C)C[C@@H]1CCC[NH+](C)C1 ZINC000158074053 390928221 /nfs/dbraw/zinc/92/82/21/390928221.db2.gz WUOMWULMPCSSQS-KGLIPLIRSA-N 2 0 272.433 1.436 10 0 CDAERP O[C@@H](CNCc1ccns1)C[NH+]1CCCCC1 ZINC000404516948 390959746 /nfs/dbraw/zinc/95/97/46/390959746.db2.gz TVMYXMQQHHNZRB-NSHDSACASA-N 2 0 255.387 1.080 10 0 CDAERP CCc1nn(C)cc1CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000647541516 390982831 /nfs/dbraw/zinc/98/28/31/390982831.db2.gz PYCVMOBFPSFSNR-HNNXBMFYSA-N 2 0 262.401 1.558 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000417752863 391029959 /nfs/dbraw/zinc/02/99/59/391029959.db2.gz RXQJOZGOFXHSTH-CQSZACIVSA-N 2 0 282.432 1.241 10 0 CDAERP CC[C@H](C(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C)[NH+](C)C ZINC000413510433 391076248 /nfs/dbraw/zinc/07/62/48/391076248.db2.gz VXAFHQNDMYPPID-MCIONIFRSA-N 2 0 269.433 1.515 10 0 CDAERP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)[C@H]1C[C@H]1C ZINC000414115635 391112568 /nfs/dbraw/zinc/11/25/68/391112568.db2.gz NHHNVTODUPYIAM-ILXRZTDVSA-N 2 0 253.434 1.648 10 0 CDAERP CSCC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173945128 533581015 /nfs/dbraw/zinc/58/10/15/533581015.db2.gz RACGVWNFRYJUDF-UHFFFAOYSA-N 2 0 272.458 1.926 10 0 CDAERP CCCCNC(=O)CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647903827 391202819 /nfs/dbraw/zinc/20/28/19/391202819.db2.gz QQRONUFKOSQEOM-CABCVRRESA-N 2 0 281.444 1.757 10 0 CDAERP C[C@@H](NC(=O)N[C@@H](C)[C@H](C)[NH3+])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417984797 391266027 /nfs/dbraw/zinc/26/60/27/391266027.db2.gz DTLUDRLWZYKGJW-FQUUOJAGSA-N 2 0 296.459 1.674 10 0 CDAERP C[NH+](C)CC(C)(C)NC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418338322 391337166 /nfs/dbraw/zinc/33/71/66/391337166.db2.gz COQNAIJMRKXZLY-GFCCVEGCSA-N 2 0 270.421 1.016 10 0 CDAERP CC(C)[NH+](C[C@@H](C)C[N@@H+](C[C@@H](C)O)C(C)C)C[C@H](C)O ZINC000346639142 391362201 /nfs/dbraw/zinc/36/22/01/391362201.db2.gz HWHSRPPYWWWXMY-MUJYYYPQSA-N 2 0 288.476 1.805 10 0 CDAERP C[C@@]1([NH3+])CCCC[C@H]1C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000335405123 391434561 /nfs/dbraw/zinc/43/45/61/391434561.db2.gz AQOABLJRSQMJTE-GXTWGEPZSA-N 2 0 265.401 1.249 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H](CN[C@@H]2C[NH+](C)C[C@@H]2C)C1 ZINC000358335165 391548518 /nfs/dbraw/zinc/54/85/18/391548518.db2.gz ARADHNFLAKVTDU-ARFHVFGLSA-N 2 0 267.461 1.894 10 0 CDAERP C[C@H]1C[C@H]([NH2+]CC(C)(C)C(=O)N2CCCC2)CC[N@@H+]1C ZINC000528015374 391578306 /nfs/dbraw/zinc/57/83/06/391578306.db2.gz KXIQDKJISNWGQY-UONOGXRCSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[N@H+](CC[C@H]1CCC[NH+]1C)C[C@H]1CCC(=O)N1 ZINC000412076030 391580669 /nfs/dbraw/zinc/58/06/69/391580669.db2.gz KPBVZTSKOOOYJY-ZIAGYGMSSA-N 2 0 267.417 1.460 10 0 CDAERP Cn1nc2c(c1C[NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@@H]3C1)CCCC2 ZINC000647797875 391659643 /nfs/dbraw/zinc/65/96/43/391659643.db2.gz GDQXRNPHMWKSKC-HZSPNIEDSA-N 2 0 288.439 1.777 10 0 CDAERP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000647799554 391661646 /nfs/dbraw/zinc/66/16/46/391661646.db2.gz KGRDFHSSUYDBSA-NJVJYBDUSA-N 2 0 252.402 1.922 10 0 CDAERP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@@H](C)[C@H](C)[NH3+])c1ccco1 ZINC000418161417 391771252 /nfs/dbraw/zinc/77/12/52/391771252.db2.gz FGEZGNXQVNOPQR-ZDEQEGDKSA-N 2 0 296.415 1.744 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CC[C@H](C)C1 ZINC000525803900 391933880 /nfs/dbraw/zinc/93/38/80/391933880.db2.gz ZUFGINWQKSCNBY-KBPBESRZSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000246895200 391893320 /nfs/dbraw/zinc/89/33/20/391893320.db2.gz JGEBMRWMYYKKSD-FRRDWIJNSA-N 2 0 253.390 1.057 10 0 CDAERP C[NH+](C)CCn1cc(NC(=O)[C@@H]2[NH2+]CCCC2(C)C)cn1 ZINC000649312557 391986786 /nfs/dbraw/zinc/98/67/86/391986786.db2.gz YZAVHBJXLDTIJG-ZDUSSCGKSA-N 2 0 293.415 1.161 10 0 CDAERP CCc1nccn1[C@H](C)CC(=O)N(C)CCC[NH+](C)C ZINC000648852409 392089464 /nfs/dbraw/zinc/08/94/64/392089464.db2.gz BOBMSPWYXXEROX-CYBMUJFWSA-N 2 0 280.416 1.807 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)CCC(C)(C)[NH3+])CC[N@@H+]1C ZINC000649340940 392067418 /nfs/dbraw/zinc/06/74/18/392067418.db2.gz BGFQNGSJTMEKDD-VXGBXAGGSA-N 2 0 255.406 1.445 10 0 CDAERP C[C@@H]1CC[C@@H](O)C[NH+]1C/C=C\C[N@H+]1C[C@@H](O)CC[C@@H]1C ZINC000646144364 392094547 /nfs/dbraw/zinc/09/45/47/392094547.db2.gz OIRXXAKXAAYAIJ-YQFQKHNOSA-N 2 0 282.428 1.233 10 0 CDAERP C[N@H+](CCCO)C1CC[NH+](C[C@H](O)C(C)(C)C)CC1 ZINC000336809797 392097600 /nfs/dbraw/zinc/09/76/00/392097600.db2.gz WXCOOPNEGRCHOQ-AWEZNQCLSA-N 2 0 272.433 1.172 10 0 CDAERP O=C1NCC[C@@H]1CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000572420317 392098194 /nfs/dbraw/zinc/09/81/94/392098194.db2.gz XRYVQZSTBWDRSA-OAHLLOKOSA-N 2 0 279.428 1.320 10 0 CDAERP CCOC[C@H](C)[NH2+][C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000423064309 392311174 /nfs/dbraw/zinc/31/11/74/392311174.db2.gz QXBPMPPOBOAQMQ-STQMWFEESA-N 2 0 286.416 1.322 10 0 CDAERP CCC[N@H+](CC)CCN[C@H](C)c1c[nH+]ccc1N ZINC000422822803 392262266 /nfs/dbraw/zinc/26/22/66/392262266.db2.gz KQVBBQQRNHEJJO-GFCCVEGCSA-N 2 0 250.390 1.877 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000423030011 392285231 /nfs/dbraw/zinc/28/52/31/392285231.db2.gz SNYVSZNPKBPQSF-ZDUSSCGKSA-N 2 0 292.379 1.748 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](CO)C1CCCCC1 ZINC000423135889 392373201 /nfs/dbraw/zinc/37/32/01/392373201.db2.gz OMPCDEXVCXCRLY-GJZGRUSLSA-N 2 0 272.433 1.519 10 0 CDAERP CC[C@@H]([NH2+]CC1(CF)CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000423156705 392395695 /nfs/dbraw/zinc/39/56/95/392395695.db2.gz TYPATCJWQKFNQT-OLZOCXBDSA-N 2 0 258.381 1.873 10 0 CDAERP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cnccc1N ZINC000423173679 392413045 /nfs/dbraw/zinc/41/30/45/392413045.db2.gz ZQVFBEQYTNQWSK-QWHCGFSZSA-N 2 0 262.401 1.877 10 0 CDAERP C[NH2+]CCCC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000645889725 392473554 /nfs/dbraw/zinc/47/35/54/392473554.db2.gz YUBLIXXORNMQJN-UHFFFAOYSA-N 2 0 259.313 1.205 10 0 CDAERP CCC[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC)[NH+](C)C ZINC000128096579 392641105 /nfs/dbraw/zinc/64/11/05/392641105.db2.gz DGPBQOSDCNDFLP-QWHCGFSZSA-N 2 0 255.406 1.317 10 0 CDAERP O[C@@H](C[NH2+][C@@H]1CCCSCC1)C[NH+]1CCCC1 ZINC000657843393 413055585 /nfs/dbraw/zinc/05/55/85/413055585.db2.gz CGEDZOWQFAODSU-OLZOCXBDSA-N 2 0 258.431 1.318 10 0 CDAERP CC(C)C[C@H]([NH2+][C@@H]1C[C@H](C)O[C@@H]1C)C(=O)NCC[NH+](C)C ZINC000451150106 393125252 /nfs/dbraw/zinc/12/52/52/393125252.db2.gz RQJNGAMIOUZVKK-YJNKXOJESA-N 2 0 299.459 1.234 10 0 CDAERP COC[C@@H](CC1CCOCC1)[NH2+][C@@H](C)CC[NH+](C)C ZINC000657859191 413062716 /nfs/dbraw/zinc/06/27/16/413062716.db2.gz QPJLJUBJOIBVSS-DZGCQCFKSA-N 2 0 272.433 1.748 10 0 CDAERP C[C@H](C[NH2+]C1CC(CF)(CF)C1)N1CC[NH+](C)CC1 ZINC000657872290 413063612 /nfs/dbraw/zinc/06/36/12/413063612.db2.gz MPZGWAMPZIQBFF-GFCCVEGCSA-N 2 0 275.387 1.300 10 0 CDAERP C[C@H](CS(C)(=O)=O)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000081902551 135004737 /nfs/dbraw/zinc/00/47/37/135004737.db2.gz PIBRJXWJTTWRGD-GFCCVEGCSA-N 2 0 297.424 1.073 10 0 CDAERP C[NH2+]CCCCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000082296765 135005248 /nfs/dbraw/zinc/00/52/48/135005248.db2.gz RFSJTGLQFKCLAP-UHFFFAOYSA-N 2 0 261.413 1.981 10 0 CDAERP C[NH+]1CCC(CCNC(=O)c2c[nH+]ccc2N)CC1 ZINC000187573571 140080112 /nfs/dbraw/zinc/08/01/12/140080112.db2.gz BXPWPNWSQBOSQR-UHFFFAOYSA-N 2 0 262.357 1.126 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CC[C@H]1CC[NH2+]C1 ZINC000251625271 140310601 /nfs/dbraw/zinc/31/06/01/140310601.db2.gz FDASAPCWGXBLBO-ILXRZTDVSA-N 2 0 279.428 1.461 10 0 CDAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251791587 140313147 /nfs/dbraw/zinc/31/31/47/140313147.db2.gz NLNINMKPZMFTQO-IXIBIKRGSA-N 2 0 291.439 1.602 10 0 CDAERP C[C@@H]([NH3+])CC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000261801132 140391461 /nfs/dbraw/zinc/39/14/61/140391461.db2.gz LBVNIGVTDDRYPG-DGCLKSJQSA-N 2 0 253.390 1.104 10 0 CDAERP C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000334937100 140593611 /nfs/dbraw/zinc/59/36/11/140593611.db2.gz UEMJEOBHXYEELT-OLZOCXBDSA-N 2 0 282.432 1.417 10 0 CDAERP COC(C)(C)CC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000346606076 292055598 /nfs/dbraw/zinc/05/55/98/292055598.db2.gz JMMBLYDYNNSIQP-HZPDHXFCSA-N 2 0 297.487 1.759 10 0 CDAERP O=C(C[C@H]1[NH2+]Cc2ccccc21)N1CCC2(CC[NH2+]2)CC1 ZINC000662578990 413145904 /nfs/dbraw/zinc/14/59/04/413145904.db2.gz IXOXPBLOBLPVHV-OAHLLOKOSA-N 2 0 285.391 1.576 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000417678058 397634166 /nfs/dbraw/zinc/63/41/66/397634166.db2.gz ITWVDYCTQPCXJU-RDBSUJKOSA-N 2 0 298.475 1.650 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]CC1CCC1 ZINC001664036317 1172803566 /nfs/dbraw/zinc/80/35/66/1172803566.db2.gz GTFDGSFBHRYMPP-MRXNPFEDSA-N 2 0 295.471 1.955 10 0 CDAERP CO[C@H](C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)C1CC1 ZINC000425402513 286001274 /nfs/dbraw/zinc/00/12/74/286001274.db2.gz IKGVTWFJXPWXNF-IAGOWNOFSA-N 2 0 295.471 1.513 10 0 CDAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCCOC3)cc2)C1 ZINC000658139897 413228342 /nfs/dbraw/zinc/22/83/42/413228342.db2.gz NWAIHXFDDOCEEB-IRXDYDNUSA-N 2 0 290.407 1.522 10 0 CDAERP CCOCC[N@@H+]1CCN(C[C@@]2(C)CC[NH2+]C2)C[C@@H]1CC ZINC000262066092 149007685 /nfs/dbraw/zinc/00/76/85/149007685.db2.gz RRJKHTYGYMANDO-HOTGVXAUSA-N 2 0 283.460 1.419 10 0 CDAERP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262380071 149055029 /nfs/dbraw/zinc/05/50/29/149055029.db2.gz NOWXWQYZHQWYDQ-AVGNSLFASA-N 2 0 255.406 1.206 10 0 CDAERP CC[C@@H](C)C[NH2+]CCN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001664375183 1172846209 /nfs/dbraw/zinc/84/62/09/1172846209.db2.gz ZRSBBOHAIUIDIW-HUUCEWRRSA-N 2 0 299.459 1.049 10 0 CDAERP CN(C(=O)CC1CC[NH+](C)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC000335778618 151011776 /nfs/dbraw/zinc/01/17/76/151011776.db2.gz XNLUGHHZVJXKMZ-HNNXBMFYSA-N 2 0 279.428 1.271 10 0 CDAERP CCC[NH+]1CCC(NC(=O)N2CC[NH+]3CCC2CC3)CC1 ZINC000335959732 151150187 /nfs/dbraw/zinc/15/01/87/151150187.db2.gz UQADRDIRKALBRE-UHFFFAOYSA-N 2 0 294.443 1.350 10 0 CDAERP C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000343548830 152220564 /nfs/dbraw/zinc/22/05/64/152220564.db2.gz BDBMWFJEGWJHOQ-RHSMWYFYSA-N 2 0 291.439 1.667 10 0 CDAERP COc1c[nH+]ccc1N1CC[NH+](C[C@@H](O)C(C)(C)C)CC1 ZINC000343741642 152286683 /nfs/dbraw/zinc/28/66/83/152286683.db2.gz HLJBQFJHRXYKBO-OAHLLOKOSA-N 2 0 293.411 1.619 10 0 CDAERP COC(C)(C)CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000346442715 153190097 /nfs/dbraw/zinc/19/00/97/153190097.db2.gz GNJSESHBMWPIEN-AWEZNQCLSA-N 2 0 297.443 1.040 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[NH+]2CCC1CC2 ZINC000349299288 154084659 /nfs/dbraw/zinc/08/46/59/154084659.db2.gz QYEPIQLZGXTNOM-UHFFFAOYSA-N 2 0 297.406 1.856 10 0 CDAERP CC(C)NC(=O)CC[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000350092711 154325686 /nfs/dbraw/zinc/32/56/86/154325686.db2.gz STYVPIJZCSWYEZ-OAHLLOKOSA-N 2 0 281.444 1.565 10 0 CDAERP [NH3+]CC12CC(C1)CN2C(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000662680228 413298517 /nfs/dbraw/zinc/29/85/17/413298517.db2.gz HZIMADCXEYIGQT-ICRTXTNUSA-N 2 0 265.401 1.234 10 0 CDAERP COC[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)C1CCOCC1 ZINC000658239037 413303073 /nfs/dbraw/zinc/30/30/73/413303073.db2.gz SWJZBNLZSOQWSU-CABCVRRESA-N 2 0 270.417 1.502 10 0 CDAERP CC(C)[C@H]([NH3+])C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000662685919 413309250 /nfs/dbraw/zinc/30/92/50/413309250.db2.gz IMPZGIYHDHCIRQ-KBPBESRZSA-N 2 0 277.368 1.269 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCn2ccnn2)[C@@H]2CCC[C@H]21 ZINC000353682873 156009550 /nfs/dbraw/zinc/00/95/50/156009550.db2.gz PCSRLODOHCHGEK-MELADBBJSA-N 2 0 263.389 1.131 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+]1CCCC1 ZINC000354323201 156386837 /nfs/dbraw/zinc/38/68/37/156386837.db2.gz AGZVXYMKMFSJPF-AWEZNQCLSA-N 2 0 267.417 1.463 10 0 CDAERP CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000356105917 157355831 /nfs/dbraw/zinc/35/58/31/157355831.db2.gz ZIUKFQOVKGZODV-OCCSQVGLSA-N 2 0 281.444 1.848 10 0 CDAERP CC(C)([NH3+])c1cc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)on1 ZINC000662708891 413359344 /nfs/dbraw/zinc/35/93/44/413359344.db2.gz QLJMBVFJYIVSBC-NSHDSACASA-N 2 0 292.383 1.179 10 0 CDAERP COc1cc(C)c(C[NH2+]CC2(O)CC[NH+](C)CC2)c(C)n1 ZINC000358977404 158088784 /nfs/dbraw/zinc/08/87/84/158088784.db2.gz LXKAENJSVMANKM-UHFFFAOYSA-N 2 0 293.411 1.253 10 0 CDAERP COC(C)(C)CC[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000660695644 413377127 /nfs/dbraw/zinc/37/71/27/413377127.db2.gz AVEJOOSVPMUINL-UHFFFAOYSA-N 2 0 286.460 1.874 10 0 CDAERP CC[C@H]([NH2+]C)C(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000662743979 413416506 /nfs/dbraw/zinc/41/65/06/413416506.db2.gz BFTMJOPNUXBXLT-FRRDWIJNSA-N 2 0 255.406 1.173 10 0 CDAERP C[C@@H]1CC[N@H+](CCNC(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662747222 413421121 /nfs/dbraw/zinc/42/11/21/413421121.db2.gz VOMHTTHGARCTHR-GFCCVEGCSA-N 2 0 265.401 1.119 10 0 CDAERP C[NH+](C)CCNC(=O)c1cccc(CC[NH+](C)C)c1 ZINC001587102122 1172972199 /nfs/dbraw/zinc/97/21/99/1172972199.db2.gz MVRZBJHVGJHTNE-UHFFFAOYSA-N 2 0 263.385 1.082 10 0 CDAERP CC(C)C[C@@H]([NH3+])c1noc(-c2c[nH]nc2[C@H]2CC[NH2+]C2)n1 ZINC000656560423 413434777 /nfs/dbraw/zinc/43/47/77/413434777.db2.gz XMIQAZHBOJFXMQ-GXSJLCMTSA-N 2 0 290.371 1.583 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001665486997 1173003401 /nfs/dbraw/zinc/00/34/01/1173003401.db2.gz BZOKKWKPEPOFBD-ZDUSSCGKSA-N 2 0 269.433 1.565 10 0 CDAERP COc1ccc(CC[N@H+](C)C2CC[NH2+]CC2)cc1OC ZINC000020436230 171201718 /nfs/dbraw/zinc/20/17/18/171201718.db2.gz PBOWNRDODVAQOE-UHFFFAOYSA-N 2 0 278.396 1.930 10 0 CDAERP CCCOc1ccc(C[NH2+]CCC[NH2+]CCO)cc1OC ZINC000020968055 171282692 /nfs/dbraw/zinc/28/26/92/171282692.db2.gz CSRCVVPYDTUNNW-UHFFFAOYSA-N 2 0 296.411 1.546 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)CC1([NH3+])CCC1 ZINC000653211254 412140636 /nfs/dbraw/zinc/14/06/36/412140636.db2.gz RTPQEGXCUOETGW-UHFFFAOYSA-N 2 0 261.369 1.294 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000653214103 412141820 /nfs/dbraw/zinc/14/18/20/412141820.db2.gz GRXWYYRZOFZRDL-ZDUSSCGKSA-N 2 0 275.396 1.412 10 0 CDAERP [NH3+]CC1(CCNC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000653221793 412146917 /nfs/dbraw/zinc/14/69/17/412146917.db2.gz DWNLVGGXZZRKLY-UHFFFAOYSA-N 2 0 258.325 1.193 10 0 CDAERP C[NH+](C)Cc1cccc(C(=O)NCCC2(C[NH3+])CC2)c1 ZINC000653221111 412147620 /nfs/dbraw/zinc/14/76/20/412147620.db2.gz ICQQQFLTTUYAQA-UHFFFAOYSA-N 2 0 275.396 1.607 10 0 CDAERP [NH3+]CC1(CCNC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000653221138 412148215 /nfs/dbraw/zinc/14/82/15/412148215.db2.gz JVOJHZLOMSJISQ-QGZVFWFLSA-N 2 0 287.407 1.163 10 0 CDAERP COCC[NH2+]Cc1ccc(OC)c(OCC[NH+](C)C)c1 ZINC000032128368 171714319 /nfs/dbraw/zinc/71/43/19/171714319.db2.gz GPQIAFDFPLNMGP-UHFFFAOYSA-N 2 0 282.384 1.372 10 0 CDAERP CC(C)([NH3+])c1cc(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)on1 ZINC000662820340 413544302 /nfs/dbraw/zinc/54/43/02/413544302.db2.gz KBZBJQHEQZDPNP-JTQLQIEISA-N 2 0 292.383 1.273 10 0 CDAERP CN(CC1CC[NH+](C)CC1)C(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662821890 413547339 /nfs/dbraw/zinc/54/73/39/413547339.db2.gz IWTLFEMKKQQPFZ-UHFFFAOYSA-N 2 0 294.399 1.282 10 0 CDAERP CN(CC[NH+]1CCCCC1)C(=O)C1([NH2+]C2CC2)CCC1 ZINC000662831145 413562976 /nfs/dbraw/zinc/56/29/76/413562976.db2.gz CKVQYOJHOJVMMM-UHFFFAOYSA-N 2 0 279.428 1.605 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)C[NH2+]C[C@@]1(C)CC1(F)F ZINC000656710284 413587469 /nfs/dbraw/zinc/58/74/69/413587469.db2.gz HXXSDUVYRDVKGB-GHMZBOCLSA-N 2 0 250.333 1.322 10 0 CDAERP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662886728 413654510 /nfs/dbraw/zinc/65/45/10/413654510.db2.gz LKOHETCSEIRSMS-AWEZNQCLSA-N 2 0 293.455 1.898 10 0 CDAERP CN(C(=O)C[C@@H]1[NH2+]Cc2ccccc21)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000659295007 413687431 /nfs/dbraw/zinc/68/74/31/413687431.db2.gz QMMKWKXLTVHJLC-RDJZCZTQSA-N 2 0 299.418 1.916 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000659434341 413816379 /nfs/dbraw/zinc/81/63/79/413816379.db2.gz LOJDTYGGIYLFEI-ZIAGYGMSSA-N 2 0 284.448 1.533 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000659436460 413818138 /nfs/dbraw/zinc/81/81/38/413818138.db2.gz LVRAYROGSRSQMW-HZSPNIEDSA-N 2 0 282.432 1.286 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1)C[NH+]1CCCCC1 ZINC000407366806 413944557 /nfs/dbraw/zinc/94/45/57/413944557.db2.gz KETNFPIPLWSLNA-KBMXLJTQSA-N 2 0 293.455 1.755 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1)C[NH+]1CCCCC1 ZINC000407366809 413945083 /nfs/dbraw/zinc/94/50/83/413945083.db2.gz KETNFPIPLWSLNA-VNQPRFMTSA-N 2 0 293.455 1.755 10 0 CDAERP CS(=O)(=O)CC1(CC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000665234647 413958746 /nfs/dbraw/zinc/95/87/46/413958746.db2.gz HWKQSSXFZYYEKT-NEPJUHHUSA-N 2 0 274.430 1.061 10 0 CDAERP CC(C)[C@H]([NH3+])CC[NH2+]C1CCC(CS(C)(=O)=O)CC1 ZINC000665281956 414021567 /nfs/dbraw/zinc/02/15/67/414021567.db2.gz NCCGPRMXLWKGPT-JXQTWKCFSA-N 2 0 290.473 1.553 10 0 CDAERP C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)[C@@H]1CC1(C)C ZINC000665292853 414036555 /nfs/dbraw/zinc/03/65/55/414036555.db2.gz KUNKGEOXLOYKGT-WPRPVWTQSA-N 2 0 250.346 1.165 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)N1CC[NH+]2CCC1CC2 ZINC000661404611 414062134 /nfs/dbraw/zinc/06/21/34/414062134.db2.gz OJZDXJKGJQUTFL-AWEZNQCLSA-N 2 0 294.443 1.349 10 0 CDAERP COC1CC[NH+](Cc2ccc(C[NH3+])cc2F)CC1 ZINC000037265746 173075143 /nfs/dbraw/zinc/07/51/43/173075143.db2.gz BFUFJUNTDALKIN-UHFFFAOYSA-N 2 0 252.333 1.895 10 0 CDAERP CC[C@H](C)[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000037396037 173176698 /nfs/dbraw/zinc/17/66/98/173176698.db2.gz ZXWNIXXAXGIOMW-NSHDSACASA-N 2 0 253.390 1.118 10 0 CDAERP CO[C@@H](C[NH+]1CCC(C[NH+](C)C)CC1)[C@H]1CCOC1 ZINC000659843538 414172791 /nfs/dbraw/zinc/17/27/91/414172791.db2.gz BLTOPELUDLHFEZ-GJZGRUSLSA-N 2 0 270.417 1.312 10 0 CDAERP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655806439 414198148 /nfs/dbraw/zinc/19/81/48/414198148.db2.gz VWTGPKUECVLBPQ-MBNYWOFBSA-N 2 0 262.401 1.727 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C2CCN(c3cnccn3)CC2)C1 ZINC000655806493 414202997 /nfs/dbraw/zinc/20/29/97/414202997.db2.gz XCIFEIYPMYCEJN-OTVXOJSOSA-N 2 0 289.427 1.375 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]2CN(Cc3nc4c(s3)C[NH2+]CC4)C[C@@H]21 ZINC000663494374 414289812 /nfs/dbraw/zinc/28/98/12/414289812.db2.gz ILSYMZYZAMMGBO-SDDRHHMPSA-N 2 0 292.452 1.348 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+]C2CC(C)C2)CC1 ZINC000663505126 414304874 /nfs/dbraw/zinc/30/48/74/414304874.db2.gz DZVUTCRPACDRMO-UHFFFAOYSA-N 2 0 267.417 1.365 10 0 CDAERP C[N@H+](CCCC[NH2+]Cc1cn(C2CCC2)nn1)C1CC1 ZINC000657487192 414385004 /nfs/dbraw/zinc/38/50/04/414385004.db2.gz HQYOOCGYMPWUNR-UHFFFAOYSA-N 2 0 277.416 1.967 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000314985909 414393812 /nfs/dbraw/zinc/39/38/12/414393812.db2.gz YFPGVXLJYXUEQF-YLFCFFPRSA-N 2 0 298.471 1.703 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)CN(C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000659984963 414324906 /nfs/dbraw/zinc/32/49/06/414324906.db2.gz ZJOQZNHRVKPDQY-KFWWJZLASA-N 2 0 271.449 1.102 10 0 CDAERP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C1CCC(F)CC1 ZINC000662000227 414466040 /nfs/dbraw/zinc/46/60/40/414466040.db2.gz KPMUXWXMXOTTCD-URGYJCLVSA-N 2 0 272.408 1.950 10 0 CDAERP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](C2CCC2)C1 ZINC000662041828 414487768 /nfs/dbraw/zinc/48/77/68/414487768.db2.gz COLJLUBXQUCAIJ-LSDHHAIUSA-N 2 0 254.418 1.811 10 0 CDAERP C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249582 414584591 /nfs/dbraw/zinc/58/45/91/414584591.db2.gz OQWZJYRPVZXTDM-AWEZNQCLSA-N 2 0 264.344 1.779 10 0 CDAERP C([C@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000662255496 414589585 /nfs/dbraw/zinc/58/95/85/414589585.db2.gz CJWKVOHZPSARGB-MCIONIFRSA-N 2 0 282.453 1.867 10 0 CDAERP C[C@H](Cn1cccn1)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000662284375 414613928 /nfs/dbraw/zinc/61/39/28/414613928.db2.gz XITOYGLEXJMIFK-CYBMUJFWSA-N 2 0 270.380 1.707 10 0 CDAERP C(C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)OC[C@@H]1CCCO1 ZINC000662297226 414621544 /nfs/dbraw/zinc/62/15/44/414621544.db2.gz OPLCYXXXJHBFEE-IRXDYDNUSA-N 2 0 296.455 1.894 10 0 CDAERP C[NH+](C)CCC[C@H]1C[N@H+](C[C@@H]2CCCO2)CCO1 ZINC000662318664 414636291 /nfs/dbraw/zinc/63/62/91/414636291.db2.gz DDSSOXCTWSQGDP-KBPBESRZSA-N 2 0 256.390 1.208 10 0 CDAERP C[C@@H]1CCCC[C@H]1[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508070 174303021 /nfs/dbraw/zinc/30/30/21/174303021.db2.gz CRYJNJSOYDKNGJ-RBSFLKMASA-N 2 0 279.428 1.461 10 0 CDAERP C[C@@H](C(=O)Nc1cccc(C[NH3+])c1)[N@@H+]1CC[C@@H](C)C1 ZINC000040716998 174384233 /nfs/dbraw/zinc/38/42/33/174384233.db2.gz KPZKZGFKHZEWAT-NEPJUHHUSA-N 2 0 261.369 1.814 10 0 CDAERP CC[C@@H]([NH3+])[C@H](c1cccnc1)N1CC[NH+](C(C)C)CC1 ZINC000043346791 175017312 /nfs/dbraw/zinc/01/73/12/175017312.db2.gz UZMYMXLLMJNOIN-CVEARBPZSA-N 2 0 276.428 1.886 10 0 CDAERP CC[C@@H]([NH3+])[C@@H](c1cccnc1)N1CC[NH+](CC2CC2)CC1 ZINC000043347673 175018147 /nfs/dbraw/zinc/01/81/47/175018147.db2.gz MAIMTIBGOMNIAP-IAGOWNOFSA-N 2 0 288.439 1.888 10 0 CDAERP CC[NH+]1CCC(N(C)[C@@H]([C@@H](C)[NH3+])C(F)(F)F)CC1 ZINC000043379162 175031002 /nfs/dbraw/zinc/03/10/02/175031002.db2.gz DLNKNHXUGUFGLC-KOLCDFICSA-N 2 0 267.339 1.681 10 0 CDAERP CCC(CC)NC(=O)[C@H](C)[N@H+](CCC[NH3+])CC(C)C ZINC000043417378 175038481 /nfs/dbraw/zinc/03/84/81/175038481.db2.gz FCNQNRMUZPVPRL-ZDUSSCGKSA-N 2 0 271.449 1.987 10 0 CDAERP Nc1cc(N)[nH+]c(SCC[C@@H]2CCCC[NH2+]2)n1 ZINC000043499799 175058583 /nfs/dbraw/zinc/05/85/83/175058583.db2.gz GIKMHFXBJXETKD-QMMMGPOBSA-N 2 0 253.375 1.265 10 0 CDAERP CC[NH+]1CCN(C[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000043595987 175077025 /nfs/dbraw/zinc/07/70/25/175077025.db2.gz DGXRYZSGARKXSF-INIZCTEOSA-N 2 0 259.397 1.511 10 0 CDAERP C[NH2+][C@H]1CCCC[C@H]1N1CC[NH+](C(C)(C)C)CC1 ZINC000043965519 175127328 /nfs/dbraw/zinc/12/73/28/175127328.db2.gz ONOBLSNNIBSUCK-UONOGXRCSA-N 2 0 253.434 1.933 10 0 CDAERP CC[NH2+][C@@H]1CCOC[C@@H]1N1CCC(C[NH+](C)C)CC1 ZINC000043970743 175132050 /nfs/dbraw/zinc/13/20/50/175132050.db2.gz DYZKDLNBHVJXBP-CABCVRRESA-N 2 0 269.433 1.027 10 0 CDAERP CCC[NH2+][C@H]1CCOC[C@H]1N(C)C1CC[NH+](CC)CC1 ZINC000044016247 175138564 /nfs/dbraw/zinc/13/85/64/175138564.db2.gz PNUWVCASHLFASW-JKSUJKDBSA-N 2 0 283.460 1.560 10 0 CDAERP C[NH+]1CCC(C[NH2+]C[C@@H](O)COCc2cccs2)CC1 ZINC000044518257 175190756 /nfs/dbraw/zinc/19/07/56/175190756.db2.gz MMDDUMHVPZTOEE-CQSZACIVSA-N 2 0 298.452 1.557 10 0 CDAERP CCC[NH2+][C@@H]1CCN(C[C@@H]2CCCC[N@@H+]2C)C1=O ZINC000044562918 175206155 /nfs/dbraw/zinc/20/61/55/175206155.db2.gz GUXORHNGIWNICN-QWHCGFSZSA-N 2 0 253.390 1.071 10 0 CDAERP CC[NH2+]CC(=O)Nc1ccccc1C[NH+]1CCCC1 ZINC000044649165 175223833 /nfs/dbraw/zinc/22/38/33/175223833.db2.gz HONKFCCJHJBOIO-UHFFFAOYSA-N 2 0 261.369 1.830 10 0 CDAERP CCC[NH2+]CC(=O)Nc1cnn(CC[NH+](CC)CC)c1 ZINC000044649836 175224205 /nfs/dbraw/zinc/22/42/05/175224205.db2.gz GTZXNTJAUSSZEV-UHFFFAOYSA-N 2 0 281.404 1.163 10 0 CDAERP CCC[NH2+]CC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000044650661 175224455 /nfs/dbraw/zinc/22/44/55/175224455.db2.gz KMILBUJZBMPZQS-UHFFFAOYSA-N 2 0 269.433 1.565 10 0 CDAERP [NH3+]CC1(C(=O)N2CC[NH+](CC3CC3)CC2)CCCCCC1 ZINC000044763412 175247410 /nfs/dbraw/zinc/24/74/10/175247410.db2.gz PKNDCOXRDDBANA-UHFFFAOYSA-N 2 0 293.455 1.840 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)C2(C[NH3+])CCCCC2)C1 ZINC000044763651 175247595 /nfs/dbraw/zinc/24/75/95/175247595.db2.gz JFPBMJUWKJOYPL-ZDUSSCGKSA-N 2 0 267.417 1.496 10 0 CDAERP CC[C@@H](C[NH3+])C(=O)N[C@@H](C)CCC[NH+](CC)CC ZINC000044798902 175255149 /nfs/dbraw/zinc/25/51/49/175255149.db2.gz WPCOSOBZYUOPIR-STQMWFEESA-N 2 0 257.422 1.598 10 0 CDAERP COC(=O)[C@](C)([NH3+])CCC[N@H+](C)C1CCCCC1 ZINC000045379121 175368105 /nfs/dbraw/zinc/36/81/05/175368105.db2.gz YEXMIZZZPWGDLO-CQSZACIVSA-N 2 0 256.390 1.922 10 0 CDAERP CC[NH2+][C@](C)(CCCCN1CC[NH+](C(C)C)CC1)C(N)=O ZINC000045393831 175376084 /nfs/dbraw/zinc/37/60/84/175376084.db2.gz YEGKPIDTTJMYDI-MRXNPFEDSA-N 2 0 298.475 1.036 10 0 CDAERP CCCC[N@H+](CCC[C@@](C)([NH3+])C(=O)OC)C1CC1 ZINC000045421762 175380364 /nfs/dbraw/zinc/38/03/64/175380364.db2.gz AQXBXBXFTYMRBK-CQSZACIVSA-N 2 0 256.390 1.922 10 0 CDAERP CC(C)[C@@H]1C[C@](C[NH3+])(N2CC[C@H]([NH+]3CCCC3)C2)CCO1 ZINC000070366332 175895566 /nfs/dbraw/zinc/89/55/66/175895566.db2.gz PVBPDLYELIUSDP-YESZJQIVSA-N 2 0 295.471 1.689 10 0 CDAERP Nc1cc[nH+]cc1C[C@H]([NH3+])c1ccc2nccnc2c1 ZINC000070433020 175928039 /nfs/dbraw/zinc/92/80/39/175928039.db2.gz RWDFRYZDVKBTRN-ZDUSSCGKSA-N 2 0 265.320 1.850 10 0 CDAERP C[C@H](C[NH3+])N1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC000070498334 175958078 /nfs/dbraw/zinc/95/80/78/175958078.db2.gz XDEKAWIPMWIMRG-CQSZACIVSA-N 2 0 273.424 1.640 10 0 CDAERP C[NH2+][C@](C)(CCC[NH+](CC1CC1)CC1CC1)C(N)=O ZINC000070506716 175959211 /nfs/dbraw/zinc/95/92/11/175959211.db2.gz NDHYQUALBONJOY-OAHLLOKOSA-N 2 0 267.417 1.352 10 0 CDAERP CCC[NH2+][C@H]1CCCN(CC(C)(C)[NH+](C)C)C1=O ZINC000071031569 176022944 /nfs/dbraw/zinc/02/29/44/176022944.db2.gz CJPCPVGVMFYMNP-LBPRGKRZSA-N 2 0 255.406 1.317 10 0 CDAERP CCC[NH2+][C@@H]1CCN([C@@H](C)C[NH+](CC)CC)C1=O ZINC000071034733 176024813 /nfs/dbraw/zinc/02/48/13/176024813.db2.gz NEXDZTAMFDCYQX-QWHCGFSZSA-N 2 0 255.406 1.317 10 0 CDAERP C[NH2+][C@H]1CCCN(CC[NH+](C(C)C)C(C)C)C1=O ZINC000071036157 176025261 /nfs/dbraw/zinc/02/52/61/176025261.db2.gz HXRXKGLTRITJFJ-ZDUSSCGKSA-N 2 0 255.406 1.316 10 0 CDAERP CC(C)[NH2+][C@H]1CCN(C[C@@H](C)[NH+]2CCCCC2)C1=O ZINC000071036360 176025657 /nfs/dbraw/zinc/02/56/57/176025657.db2.gz OOIAVNOYFNTKPA-KGLIPLIRSA-N 2 0 267.417 1.460 10 0 CDAERP CC(C)[NH2+][C@H]1CCCN([C@H](C)C[NH+]2CCCCC2)C1=O ZINC000071037394 176025829 /nfs/dbraw/zinc/02/58/29/176025829.db2.gz XVPKNMMNGNWSFA-CABCVRRESA-N 2 0 281.444 1.850 10 0 CDAERP CC[NH+](CC)[C@@H](CN1CC[C@@H]([NH2+]C)C1=O)c1ccccc1 ZINC000071037607 176026475 /nfs/dbraw/zinc/02/64/75/176026475.db2.gz VXOVZECDVUAGPL-CVEARBPZSA-N 2 0 289.423 1.890 10 0 CDAERP CC[NH+](CC)CCC[C@@H](C)N1CC[C@@H]([NH2+]C)C1=O ZINC000071038064 176026825 /nfs/dbraw/zinc/02/68/25/176026825.db2.gz MBDKFKVPDONGDG-CHWSQXEVSA-N 2 0 255.406 1.317 10 0 CDAERP CC(C)[NH2+][C@H]1CCCN(CC[N@H+](C)C2CCCC2)C1=O ZINC000071043720 176029725 /nfs/dbraw/zinc/02/97/25/176029725.db2.gz ZZAAGLOIHUYNQK-HNNXBMFYSA-N 2 0 281.444 1.850 10 0 CDAERP C[NH2+]C[C@H]1CC[N@@H+](C2CCC3(CC2)OCCO3)C1 ZINC000071141830 176040103 /nfs/dbraw/zinc/04/01/03/176040103.db2.gz BKCAUZDWHXHEKU-GFCCVEGCSA-N 2 0 254.374 1.213 10 0 CDAERP C[C@@H](c1ccsc1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071148960 176044701 /nfs/dbraw/zinc/04/47/01/176044701.db2.gz NMRAUDVYVNVIQJ-LBPRGKRZSA-N 2 0 253.415 1.646 10 0 CDAERP C[C@H]([NH3+])[C@@H](c1ccccc1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071187934 176061988 /nfs/dbraw/zinc/06/19/88/176061988.db2.gz ZIIASMXXFZEVET-LZWOXQAQSA-N 2 0 261.413 1.958 10 0 CDAERP CC[C@@H]([NH3+])[C@H](N(C)C[C@@H]1CC[N@H+](C)C1)C(F)(F)F ZINC000071188143 176062732 /nfs/dbraw/zinc/06/27/32/176062732.db2.gz LKOBWDYTHWSJAO-MXWKQRLJSA-N 2 0 267.339 1.538 10 0 CDAERP C[C@@H]1CCC[C@@](C[NH3+])(N(C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071188576 176063754 /nfs/dbraw/zinc/06/37/54/176063754.db2.gz WOKYQHIYZKTTQN-RBSFLKMASA-N 2 0 253.434 1.778 10 0 CDAERP CC[C@@H]1CC[C@H]([NH3+])[C@H](N(C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071188698 176064037 /nfs/dbraw/zinc/06/40/37/176064037.db2.gz UXNZCZFFWMWSLN-APIJFGDWSA-N 2 0 253.434 1.776 10 0 CDAERP CCC[C@@]1(C(=O)N(C)C[C@H]2CC[N@H+](C)C2)CCC[NH2+]C1 ZINC000071189614 176065249 /nfs/dbraw/zinc/06/52/49/176065249.db2.gz HCWLEUJTXBEOIL-GOEBONIOSA-N 2 0 281.444 1.566 10 0 CDAERP CCC1(C[N@H+](C)C[C@@H]2CC[NH+](C)C2)CC[NH2+]CC1 ZINC000071190936 176067738 /nfs/dbraw/zinc/06/77/38/176067738.db2.gz WKDJOOHTRRGEJY-CQSZACIVSA-N 3 0 253.434 1.650 10 0 CDAERP C[NH2+]Cc1sc(N(C)C[C@H]2CC[N@H+](C)C2)nc1C ZINC000071192600 176074578 /nfs/dbraw/zinc/07/45/78/176074578.db2.gz TXIZFNDIPXIYCZ-NSHDSACASA-N 2 0 268.430 1.559 10 0 CDAERP C[C@@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071193277 176075386 /nfs/dbraw/zinc/07/53/86/176075386.db2.gz LZDMDGGLBNWERV-MQYQWHSLSA-N 2 0 267.417 1.160 10 0 CDAERP C[C@@H]1C[N@H+](Cc2ccc(F)cc2C[NH3+])CCCO1 ZINC000071263650 176097074 /nfs/dbraw/zinc/09/70/74/176097074.db2.gz MZJYGHISTIMLOK-LLVKDONJSA-N 2 0 252.333 1.895 10 0 CDAERP NC(=[NH2+])c1cc(F)ccc1C[N@H+](CCO)C1CCCC1 ZINC000071267882 176101702 /nfs/dbraw/zinc/10/17/02/176101702.db2.gz OWYYSAAZVIAQOA-UHFFFAOYSA-N 2 0 279.359 1.847 10 0 CDAERP C[N@H+](CCCn1ccc(N)n1)CC1CC[NH+](C)CC1 ZINC000071352569 176135828 /nfs/dbraw/zinc/13/58/28/176135828.db2.gz BLVYVDLHZIQMLH-UHFFFAOYSA-N 2 0 265.405 1.129 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000071378391 176143103 /nfs/dbraw/zinc/14/31/03/176143103.db2.gz RZJHHXSCTPIQFE-UHFFFAOYSA-N 2 0 255.406 1.365 10 0 CDAERP CCn1ccnc1C[NH2+]CC1CC[NH+](C[C@H](C)O)CC1 ZINC000071871149 176283454 /nfs/dbraw/zinc/28/34/54/176283454.db2.gz AOELVABEHVQPQB-ZDUSSCGKSA-N 2 0 280.416 1.085 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]C/C=C\Cl ZINC001666667590 1173169195 /nfs/dbraw/zinc/16/91/95/1173169195.db2.gz UNVAXPMYKKLRGC-USKJLILSSA-N 2 0 273.808 1.033 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)CC[NH2+]1 ZINC000518373565 260387608 /nfs/dbraw/zinc/38/76/08/260387608.db2.gz ZSZOLDVEHHJEES-AEGPPILISA-N 2 0 293.455 1.611 10 0 CDAERP COc1cc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc2c1OCCO2 ZINC000415046871 263258330 /nfs/dbraw/zinc/25/83/30/263258330.db2.gz VLVQWWHDACEQRC-AAEUAGOBSA-N 2 0 292.379 1.683 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)[C@H]2C[C@]23CCC[NH2+]C3)cc1 ZINC000655416966 423776966 /nfs/dbraw/zinc/77/69/66/423776966.db2.gz BHTYJIKRRWJUOJ-MJEQTWJJSA-N 2 0 287.407 1.712 10 0 CDAERP COc1ccc(C[N@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662249219 423792362 /nfs/dbraw/zinc/79/23/62/423792362.db2.gz JXTKUPDNGOUKHX-OAHLLOKOSA-N 2 0 276.380 1.648 10 0 CDAERP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C[C@@H]2C[NH2+]CCO2)C1 ZINC000662261709 423805822 /nfs/dbraw/zinc/80/58/22/423805822.db2.gz ABXOPSHYZUSOCT-SJORKVTESA-N 2 0 289.423 1.181 10 0 CDAERP C[NH2+]CCC1CC[NH+](CCO[C@@H]2CC2(F)F)CC1 ZINC000662265952 423816420 /nfs/dbraw/zinc/81/64/20/423816420.db2.gz UYLBIGFMEYIAQF-GFCCVEGCSA-N 2 0 262.344 1.732 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@]23CCC[NH2+]C3)CC[N@@H+]1C ZINC000655449235 423877533 /nfs/dbraw/zinc/87/75/33/423877533.db2.gz QCOONMXJJRRXAT-NYTXWWLZSA-N 2 0 279.428 1.317 10 0 CDAERP [NH3+][C@@H](CNCc1nc2c(s1)C[NH2+]CC2)c1ccccc1 ZINC000663495585 423885119 /nfs/dbraw/zinc/88/51/19/423885119.db2.gz ZKECDURBZXUBBQ-LBPRGKRZSA-N 2 0 288.420 1.578 10 0 CDAERP C[C@@H](O)CCC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662323982 423955920 /nfs/dbraw/zinc/95/59/20/423955920.db2.gz RSBNXPPKHUVRTP-KGLIPLIRSA-N 2 0 258.406 1.190 10 0 CDAERP CC(C)(CNC(=O)NCCC1(C[NH3+])CC1)C[NH+]1CCCC1 ZINC000652182698 424008809 /nfs/dbraw/zinc/00/88/09/424008809.db2.gz YFFDCHYSPPTYNG-UHFFFAOYSA-N 2 0 296.459 1.537 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000652223500 424100621 /nfs/dbraw/zinc/10/06/21/424100621.db2.gz HBDKPXJQTUMLFE-DOMZBBRYSA-N 2 0 290.411 1.333 10 0 CDAERP [NH3+]C[C@H](C(=O)NCCC1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000653272170 424199827 /nfs/dbraw/zinc/19/98/27/424199827.db2.gz ATSKJHNXCRPXSQ-HNNXBMFYSA-N 2 0 293.386 1.374 10 0 CDAERP C[C@@H](CCNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1)[NH+](C)C ZINC000662633658 424261832 /nfs/dbraw/zinc/26/18/32/424261832.db2.gz NBCHYCMAHGQVHF-FZMZJTMJSA-N 2 0 281.375 1.324 10 0 CDAERP CCC[NH2+]C[C@H](C)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001667059639 1173228552 /nfs/dbraw/zinc/22/85/52/1173228552.db2.gz SZECMCMUVHNKIP-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CCOCC(F)F)C1 ZINC000652363411 424314143 /nfs/dbraw/zinc/31/41/43/424314143.db2.gz DGWWAZRSLLSHTQ-FRRDWIJNSA-N 2 0 292.370 1.629 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655686625 424385442 /nfs/dbraw/zinc/38/54/42/424385442.db2.gz NHZMRUYKJVCOIE-NVXWUHKLSA-N 2 0 297.487 1.950 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)[C@H]([NH3+])CC(F)F ZINC000664719463 424324846 /nfs/dbraw/zinc/32/48/46/424324846.db2.gz TUBDXSJXLDTRQO-SECBINFHSA-N 2 0 265.348 1.206 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000655467856 424404563 /nfs/dbraw/zinc/40/45/63/424404563.db2.gz NYJNAUGVVVEXLG-NDTCATRNSA-N 2 0 293.455 1.613 10 0 CDAERP O=C(NC1CC([NH+]2CCCCC2)C1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655469723 424415087 /nfs/dbraw/zinc/41/50/87/424415087.db2.gz YUEUOILDECQCED-UMPYDWHISA-N 2 0 291.439 1.509 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000659619658 424416046 /nfs/dbraw/zinc/41/60/46/424416046.db2.gz QHARWPSVOBEBCT-QWHCGFSZSA-N 2 0 270.421 1.130 10 0 CDAERP COCC[C@H](COC)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400999263 424420994 /nfs/dbraw/zinc/42/09/94/424420994.db2.gz LQWMPKXOQQLMIS-IGQOVBAYSA-N 2 0 256.390 1.016 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC[C@@]1(C)CC1(F)F ZINC000665266924 424481690 /nfs/dbraw/zinc/48/16/90/424481690.db2.gz LWTLBWJOUJFBBU-YFKTTZPYSA-N 2 0 262.344 1.764 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCC23CCC3)CC1 ZINC000665289855 424498069 /nfs/dbraw/zinc/49/80/69/424498069.db2.gz YXMXQAIBNWORPY-HNNXBMFYSA-N 2 0 293.455 1.899 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cnc(C(F)(F)F)nc2)C1 ZINC000665234965 424470836 /nfs/dbraw/zinc/47/08/36/424470836.db2.gz NBBFTKQCUYBVSU-ZJUUUORDSA-N 2 0 274.290 1.855 10 0 CDAERP C[C@H](C(=O)N[C@H](C[NH3+])C(F)(F)F)[C@@H]([NH3+])c1ccccc1 ZINC000655505409 424667820 /nfs/dbraw/zinc/66/78/20/424667820.db2.gz ZBNUUTBTSHTARG-JMJZKYOTSA-N 2 0 289.301 1.328 10 0 CDAERP CC(C)[C@H](O)C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422987066 275706784 /nfs/dbraw/zinc/70/67/84/275706784.db2.gz FBWDNTLFWGWRKL-UXLLHSPISA-N 2 0 290.407 1.849 10 0 CDAERP CC1CCC(C[NH2+]CC2(O)CC[NH+](C)CC2)CC1 ZINC000343261888 275928542 /nfs/dbraw/zinc/92/85/42/275928542.db2.gz QEDSZGNUHKHYBH-UHFFFAOYSA-N 2 0 254.418 1.859 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000261571938 276376137 /nfs/dbraw/zinc/37/61/37/276376137.db2.gz SFGQTULMDIEJHB-QWHCGFSZSA-N 2 0 267.417 1.365 10 0 CDAERP C[N@@H+]1CCC[C@H]1CC[NH+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000372424445 277079010 /nfs/dbraw/zinc/07/90/10/277079010.db2.gz FGBKGAOFJLPYGY-MBOZISHXSA-N 2 0 252.402 1.564 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C2CCN(C(N)=O)CC2)C1 ZINC000358347523 277392073 /nfs/dbraw/zinc/39/20/73/277392073.db2.gz UILSEEPMSMAULL-AWEZNQCLSA-N 2 0 296.459 1.487 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CC[C@@H]1C1CCC1)N1CC[NH+](C)CC1 ZINC000337990394 278209802 /nfs/dbraw/zinc/20/98/02/278209802.db2.gz SEPFDZHHBWPQFE-FVQBIDKESA-N 2 0 265.445 1.791 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000417827390 278220976 /nfs/dbraw/zinc/22/09/76/278220976.db2.gz FUHFQHQRNNLUAO-RKDXNWHRSA-N 2 0 281.322 1.161 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000232928653 278222713 /nfs/dbraw/zinc/22/27/13/278222713.db2.gz XSGNDMLFVQKACL-AWEZNQCLSA-N 2 0 279.428 1.508 10 0 CDAERP C[C@H]([NH3+])[C@H](C)C(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000252839479 278229261 /nfs/dbraw/zinc/22/92/61/278229261.db2.gz AXRKDRRZMRVGRL-ZDEQEGDKSA-N 2 0 253.390 1.055 10 0 CDAERP CC(C)(C)[NH+]1CCC(NC(=O)C2CC[NH2+]CC2)CC1 ZINC000037770552 278340600 /nfs/dbraw/zinc/34/06/00/278340600.db2.gz XYWWUYMOEVKJNJ-UHFFFAOYSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)C[C@@H]([NH3+])CN1CCC(OCC[NH+](C)C)CC1 ZINC000414706481 278995134 /nfs/dbraw/zinc/99/51/34/278995134.db2.gz XWQDREJTYRRAPW-CQSZACIVSA-N 2 0 271.449 1.402 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000252576307 279297653 /nfs/dbraw/zinc/29/76/53/279297653.db2.gz IAVKJDPSMQCGTJ-RRFJBIMHSA-N 2 0 281.444 1.837 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[NH+](C2CC2)CC1 ZINC000175392531 279309408 /nfs/dbraw/zinc/30/94/08/279309408.db2.gz GWLRMBRZSPSWMK-OAHLLOKOSA-N 2 0 294.443 1.350 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCn2cccn2)[C@@H](C)C1 ZINC000245423635 280207431 /nfs/dbraw/zinc/20/74/31/280207431.db2.gz JPDULNMHIBFYDP-UONOGXRCSA-N 2 0 250.390 1.545 10 0 CDAERP CC(C)[C@H]([NH3+])CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000418388919 280284007 /nfs/dbraw/zinc/28/40/07/280284007.db2.gz VYNNNVVZUVVCBF-YNEHKIRRSA-N 2 0 270.421 1.094 10 0 CDAERP C[C@H](CNC(=O)N(C)CCC[NH+](C)C)[N@@H+]1CCC[C@H](C)C1 ZINC000248616738 280367995 /nfs/dbraw/zinc/36/79/95/280367995.db2.gz MAMUJIIEAKSZQC-LSDHHAIUSA-N 2 0 298.475 1.700 10 0 CDAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C[NH+]1CCC(C)CC1 ZINC000121779625 281189002 /nfs/dbraw/zinc/18/90/02/281189002.db2.gz LHBNFIDRKWCRMP-JKSUJKDBSA-N 2 0 293.455 1.804 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000334964569 288324320 /nfs/dbraw/zinc/32/43/20/288324320.db2.gz NTHGPPOOWGEXLY-UKRRQHHQSA-N 2 0 294.443 1.254 10 0 CDAERP CC1CC[NH+](CCN2CCCC[C@H]2C(=[NH2+])NO)CC1 ZINC000363774248 281810699 /nfs/dbraw/zinc/81/06/99/281810699.db2.gz DMPZUKUTFVMJDB-ZDUSSCGKSA-N 2 0 268.405 1.529 10 0 CDAERP CCN(CC[NH2+]C[C@@H](C)O)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001668575358 1173429734 /nfs/dbraw/zinc/42/97/34/1173429734.db2.gz QPMYVBWSIGBIQX-CABCVRRESA-N 2 0 299.459 1.068 10 0 CDAERP C[C@@H]1C[C@H](C)N(C(=O)c2ccc(C[NH3+])cc2)C[C@@H]1C[NH3+] ZINC000422544364 288660431 /nfs/dbraw/zinc/66/04/31/288660431.db2.gz UWIWJDOUCVHWNF-XUJVJEKNSA-N 2 0 275.396 1.591 10 0 CDAERP C[NH+](C)CC1CC[NH+]([C@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000044170005 289107500 /nfs/dbraw/zinc/10/75/00/289107500.db2.gz AUBQQKSDVAZADN-IRXDYDNUSA-N 2 0 274.408 1.918 10 0 CDAERP C[NH+](C)CCC1CC[NH+](CC2(O)CCOCC2)CC1 ZINC000156299915 289262492 /nfs/dbraw/zinc/26/24/92/289262492.db2.gz AGXUKZHSRCHPFH-UHFFFAOYSA-N 2 0 270.417 1.192 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000417854091 289300961 /nfs/dbraw/zinc/30/09/61/289300961.db2.gz PPPWDIZMCHWYIF-APIJFGDWSA-N 2 0 294.443 1.395 10 0 CDAERP NC(=O)CC[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000552051596 290045788 /nfs/dbraw/zinc/04/57/88/290045788.db2.gz OTQRFXJGDWPOOB-UHFFFAOYSA-N 2 0 261.369 1.247 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2(CO)CCOCC2)[C@@H]2CCC[C@H]21 ZINC000375863219 290216370 /nfs/dbraw/zinc/21/63/70/290216370.db2.gz WATYIJDTRVOKIJ-SOUVJXGZSA-N 2 0 282.428 1.238 10 0 CDAERP Cc1cc(CC[NH2+]Cc2cccc3nccn32)on1 ZINC000556842437 290308145 /nfs/dbraw/zinc/30/81/45/290308145.db2.gz ULXLKJULYNPBOL-UHFFFAOYSA-N 2 0 256.309 1.963 10 0 CDAERP COC[C@]1(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CCC[NH2+]1 ZINC000423412785 293294245 /nfs/dbraw/zinc/29/42/45/293294245.db2.gz IODJDQPUTJSKNE-XUWVNRHRSA-N 2 0 281.444 1.217 10 0 CDAERP OC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)Cc2ccccc2C1 ZINC000567375237 293771069 /nfs/dbraw/zinc/77/10/69/293771069.db2.gz DIKSSAGEXYTPNR-XYPWUTKMSA-N 2 0 272.392 1.389 10 0 CDAERP C[C@@H](CCC(C)(C)C)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000570561971 294261437 /nfs/dbraw/zinc/26/14/37/294261437.db2.gz ABUMQJHHOKSZFQ-LBPRGKRZSA-N 2 0 255.406 1.223 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N(C)C(C)(C)C[NH+]2CCCC2)C1 ZINC000571178207 294384594 /nfs/dbraw/zinc/38/45/94/294384594.db2.gz ZCDJQNQBDVNOMN-CQSZACIVSA-N 2 0 281.444 1.661 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000085369813 295306342 /nfs/dbraw/zinc/30/63/42/295306342.db2.gz BCLBQPKFNTZDML-UONOGXRCSA-N 2 0 265.401 1.201 10 0 CDAERP CC[C@H](F)C[NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001668973102 1173486298 /nfs/dbraw/zinc/48/62/98/1173486298.db2.gz KLHHPYZDFAHKHI-GXMNPTEKSA-N 2 0 299.434 1.871 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)NC1CC[NH+](C)CC1 ZINC000334589714 297090843 /nfs/dbraw/zinc/09/08/43/297090843.db2.gz NSSDFASBHJDWQN-HIFRSBDPSA-N 2 0 294.443 1.349 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000418584502 297108707 /nfs/dbraw/zinc/10/87/07/297108707.db2.gz CDFQOPITZRQFEY-QLFBSQMISA-N 2 0 294.443 1.254 10 0 CDAERP C[NH+](C)CCC(=O)NC/C=C/C[NH2+]Cc1ccsc1 ZINC001669021349 1173496231 /nfs/dbraw/zinc/49/62/31/1173496231.db2.gz WAYSDRQRBYMQTN-ONEGZZNKSA-N 2 0 281.425 1.462 10 0 CDAERP C[C@H](C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000312964019 298085606 /nfs/dbraw/zinc/08/56/06/298085606.db2.gz UJPLDDXGAGWRKV-QKGCVVFFSA-N 2 0 279.428 1.316 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC/C=C\C[NH2+]Cc1cncs1 ZINC001669208909 1173518113 /nfs/dbraw/zinc/51/81/13/1173518113.db2.gz WJRRZXQQFBNFEI-PLNGDYQASA-N 2 0 296.440 1.245 10 0 CDAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC1CC1 ZINC001669554153 1173569665 /nfs/dbraw/zinc/56/96/65/1173569665.db2.gz WNEQNWAGMGUNRA-JSGCOSHPSA-N 2 0 267.417 1.364 10 0 CDAERP CC[C@H](C(=O)N(C)CCC[NH2+]Cc1cnoc1C)[NH+](C)C ZINC001670138743 1173657333 /nfs/dbraw/zinc/65/73/33/1173657333.db2.gz ONIBSITXYVVPRF-CQSZACIVSA-N 2 0 296.415 1.261 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@](C)(C[NH2+]CCCF)C1 ZINC001671752795 1173710294 /nfs/dbraw/zinc/71/02/94/1173710294.db2.gz JTFYXCNYVQBYPM-GDBMZVCRSA-N 2 0 299.434 1.659 10 0 CDAERP C[NH+](C)C1CC([NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000569941185 316881920 /nfs/dbraw/zinc/88/19/20/316881920.db2.gz MCDLNJIMTBUEAY-UHFFFAOYSA-N 2 0 279.350 1.695 10 0 CDAERP C[NH+]1CCN(C[C@H](O)C[NH2+]CC(C)(C)C2CCCC2)CC1 ZINC000575981358 317050560 /nfs/dbraw/zinc/05/05/60/317050560.db2.gz JFQWCTXDTNHPFV-MRXNPFEDSA-N 2 0 297.487 1.401 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)CC[NH2+]1 ZINC000576040655 317062412 /nfs/dbraw/zinc/06/24/12/317062412.db2.gz NFMHWDWYENCINF-RBSFLKMASA-N 3 0 251.418 1.450 10 0 CDAERP C[C@@H]([NH2+]CC(C)(C)N1CCOCC1)[C@@H]1CCC[NH2+]C1 ZINC000582295360 324947357 /nfs/dbraw/zinc/94/73/57/324947357.db2.gz CKDMWIKORIECBA-ZIAGYGMSSA-N 2 0 269.433 1.075 10 0 CDAERP C[C@H](CN[C@@H](C)[C@@H]1CCC[NH2+]C1)C[NH+]1CCCC1 ZINC000582540553 324994241 /nfs/dbraw/zinc/99/42/41/324994241.db2.gz YIONAKWKXUBXNC-QLFBSQMISA-N 2 0 253.434 1.696 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NCC1CC[NH+](CC)CC1 ZINC000583599216 325205472 /nfs/dbraw/zinc/20/54/72/325205472.db2.gz IABOHSLUWWHTRU-CQSZACIVSA-N 2 0 298.475 1.748 10 0 CDAERP CC(C)(C)OC(=O)N1CC[NH+](C2CC(C[NH3+])C2)CC1 ZINC000258120302 330381835 /nfs/dbraw/zinc/38/18/35/330381835.db2.gz ZYCJCIURTXIAQJ-UHFFFAOYSA-N 2 0 269.389 1.276 10 0 CDAERP CC[N@H+](C)CCC(=O)NCC[NH+](C)CC1=CCCCC1 ZINC001480932969 1159263122 /nfs/dbraw/zinc/26/31/22/1159263122.db2.gz VFEXTLJSYXTFDS-UHFFFAOYSA-N 2 0 281.444 1.877 10 0 CDAERP CC[NH2+]CCN(CC)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001268486169 1159954350 /nfs/dbraw/zinc/95/43/50/1159954350.db2.gz OEVIKSPROWMKQU-UONOGXRCSA-N 2 0 267.417 1.461 10 0 CDAERP COCC[NH2+]C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001482060311 1159972553 /nfs/dbraw/zinc/97/25/53/1159972553.db2.gz BNESINPXDGVSCV-CQSZACIVSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000668475048 482450150 /nfs/dbraw/zinc/45/01/50/482450150.db2.gz IFQOWLQJPPKAFB-CWRNSKLLSA-N 2 0 283.460 1.416 10 0 CDAERP OC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000668226769 482202639 /nfs/dbraw/zinc/20/26/39/482202639.db2.gz SKOOUNARDCZVCH-WFASDCNBSA-N 2 0 272.352 1.518 10 0 CDAERP OCCC[N@H+](Cc1cccc2c1CC[NH2+]C2)C1CC1 ZINC000662254122 482202718 /nfs/dbraw/zinc/20/27/18/482202718.db2.gz FYYGIJVIQJCPBJ-UHFFFAOYSA-N 2 0 260.381 1.679 10 0 CDAERP O[C@H]1CC[N@@H+](C2CC[NH+](C[C@@H]3CC=CCC3)CC2)C1 ZINC000668739140 482220480 /nfs/dbraw/zinc/22/04/80/482220480.db2.gz JDLKUZKYKUACCI-ZBFHGGJFSA-N 2 0 264.413 1.874 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)[C@]1(C)CCC[NH2+]1)c1ccccc1 ZINC000079519449 482373885 /nfs/dbraw/zinc/37/38/85/482373885.db2.gz TUAUAYCITKXNHN-HOCLYGCPSA-N 2 0 275.396 1.548 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662672897 482418455 /nfs/dbraw/zinc/41/84/55/482418455.db2.gz GBQSDBDMALGEFC-CQSZACIVSA-N 2 0 279.428 1.604 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000668600263 482487260 /nfs/dbraw/zinc/48/72/60/482487260.db2.gz JNPSAYQDHYSCRW-GOEBONIOSA-N 2 0 284.363 1.532 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)CC[N@@H+]1C ZINC000655449232 482494974 /nfs/dbraw/zinc/49/49/74/482494974.db2.gz QCOONMXJJRRXAT-HGTKMLMNSA-N 2 0 279.428 1.317 10 0 CDAERP OCC1(CO)CC[N@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000668665160 482498569 /nfs/dbraw/zinc/49/85/69/482498569.db2.gz GTVINZJPYBWTDD-UHFFFAOYSA-N 2 0 293.392 1.111 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000669509725 482515077 /nfs/dbraw/zinc/51/50/77/482515077.db2.gz PLFUUUJJEYOSMQ-RYUDHWBXSA-N 2 0 253.390 1.023 10 0 CDAERP CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC[C@@H]1[NH3+] ZINC000669515839 482537804 /nfs/dbraw/zinc/53/78/04/482537804.db2.gz FOXFLLCITOIEPA-QTVXIADOSA-N 2 0 279.428 1.493 10 0 CDAERP C[N@@H+]1CC[C@H](NC(=O)NC/C=C\C[NH3+])[C@@H]1c1ccccc1 ZINC000669545777 482643104 /nfs/dbraw/zinc/64/31/04/482643104.db2.gz KZIYDLZXVYBGPV-LUNKNMTDSA-N 2 0 288.395 1.246 10 0 CDAERP C[C@@]([NH3+])(C(=O)N1CC[C@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000334342136 482718809 /nfs/dbraw/zinc/71/88/09/482718809.db2.gz KEQXNLWHTHRTPK-DLBZAZTESA-N 2 0 287.407 1.463 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000669574066 482769673 /nfs/dbraw/zinc/76/96/73/482769673.db2.gz KOMKBRVOMCTFCC-CHWSQXEVSA-N 2 0 270.421 1.097 10 0 CDAERP CO[C@H]1CCC[C@@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)C1 ZINC000684378003 482782004 /nfs/dbraw/zinc/78/20/04/482782004.db2.gz QUZOUVQTJLSTPZ-SJORKVTESA-N 2 0 297.487 1.807 10 0 CDAERP COCC1(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)CC1 ZINC000656201125 482791669 /nfs/dbraw/zinc/79/16/69/482791669.db2.gz SQEANPDXLNVZSE-NSHDSACASA-N 2 0 263.385 1.926 10 0 CDAERP CC(C)(CC[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)C1CC1 ZINC000406091687 482879973 /nfs/dbraw/zinc/87/99/73/482879973.db2.gz CSIVGPQOXJMOTL-HNNXBMFYSA-N 2 0 265.445 1.792 10 0 CDAERP Cc1ccc([C@H]([NH3+])C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000336339858 482908523 /nfs/dbraw/zinc/90/85/23/482908523.db2.gz SDFBBISCINDXIF-RDJZCZTQSA-N 2 0 287.407 1.597 10 0 CDAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCC(C)(C)[NH3+] ZINC000251544995 483049772 /nfs/dbraw/zinc/04/97/72/483049772.db2.gz AYGOWEMHJHKGQN-RYUDHWBXSA-N 2 0 253.390 1.199 10 0 CDAERP CC(C)[NH+](CCNC(=O)[C@H]1CCC[C@H]1C[NH3+])C(C)C ZINC000089448682 483077129 /nfs/dbraw/zinc/07/71/29/483077129.db2.gz WTSJTWVCVHWQBY-KBPBESRZSA-N 2 0 269.433 1.596 10 0 CDAERP CCN(CCC[NH+]1CCCC1)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000682658197 483318973 /nfs/dbraw/zinc/31/89/73/483318973.db2.gz MNKZJPDCSREEIT-HNNXBMFYSA-N 2 0 296.459 1.598 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)CC[NH2+]CC1=CCCCC1 ZINC001691542905 1160665232 /nfs/dbraw/zinc/66/52/32/1160665232.db2.gz XOKOMHPFAULTLB-UHFFFAOYSA-N 2 0 281.444 1.877 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)c1ccc(NN)[nH+]c1 ZINC000051094569 519716123 /nfs/dbraw/zinc/71/61/23/519716123.db2.gz HTNCBOIHCCCIFS-UHFFFAOYSA-N 2 0 279.388 1.027 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000055075877 519744320 /nfs/dbraw/zinc/74/43/20/519744320.db2.gz XAJPLXAAWUURJL-OAHLLOKOSA-N 2 0 255.450 1.894 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)C2CCN(C)CC2)O1 ZINC000052419911 519977707 /nfs/dbraw/zinc/97/77/07/519977707.db2.gz ZBBLRSLPTIICMC-CABCVRRESA-N 2 0 269.433 1.170 10 0 CDAERP CCO[C@@H](C[NH3+])CC[N@H+](CCN(C)C)CC(C)C ZINC000062741183 520307181 /nfs/dbraw/zinc/30/71/81/520307181.db2.gz XTVUVBQMSFHKKY-CQSZACIVSA-N 2 0 259.438 1.260 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C[C@H](O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001649885953 1161209614 /nfs/dbraw/zinc/20/96/14/1161209614.db2.gz DLZLXJPUGOIPJQ-OAGGEKHMSA-N 2 0 285.476 1.350 10 0 CDAERP CCCC[N@H+](CC)CCn1cc(C[NH2+]CCC)nn1 ZINC000052418778 520478705 /nfs/dbraw/zinc/47/87/05/520478705.db2.gz YXPXABAGZLSERV-UHFFFAOYSA-N 2 0 267.421 1.900 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]CCC2CC2)C1 ZINC001485707318 1161281332 /nfs/dbraw/zinc/28/13/32/1161281332.db2.gz WVZXOEHOUNWGKK-SHTZXODSSA-N 2 0 281.444 1.611 10 0 CDAERP CCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001717471725 1180692414 /nfs/dbraw/zinc/69/24/14/1180692414.db2.gz DSISNWVMTDMAPH-KBPBESRZSA-N 2 0 269.433 1.706 10 0 CDAERP COC(=O)[C@]1(C)C[N@H+](CC2CC[NH2+]CC2)C[C@H]1C ZINC000261929484 1182203161 /nfs/dbraw/zinc/20/31/61/1182203161.db2.gz LINXQXOZLMBGET-BXUZGUMPSA-N 2 0 254.374 1.117 10 0 CDAERP C([NH2+]C1CC1)[C@@H]1CC[C@H](CN2CC[NH+](CC3CC3)CC2)O1 ZINC000052372528 518398045 /nfs/dbraw/zinc/39/80/45/518398045.db2.gz QGDBNZCFSTXVRF-DLBZAZTESA-N 2 0 293.455 1.314 10 0 CDAERP CC(C)(C)[NH+]1CCN(C(=O)C[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000055141071 518710902 /nfs/dbraw/zinc/71/09/02/518710902.db2.gz YJVDXXDGPHQTDH-ZIAGYGMSSA-N 2 0 281.444 1.837 10 0 CDAERP CC(C)(C)[NH+]1CCN(Cc2ccnc(C(N)=[NH2+])c2)CC1 ZINC000068761375 518713077 /nfs/dbraw/zinc/71/30/77/518713077.db2.gz GCDHAKVIJMKLAV-UHFFFAOYSA-N 2 0 275.400 1.282 10 0 CDAERP CC(C)(C)[NH+]1CCN(c2ccnc(C(N)=[NH2+])c2)CC1 ZINC000061814199 518713206 /nfs/dbraw/zinc/71/32/06/518713206.db2.gz XIXXCQPDNAVGDT-UHFFFAOYSA-N 2 0 261.373 1.286 10 0 CDAERP CC(C)(C)[NH2+]Cc1cn(CC[N@@H+]2C[C@H]3CC[C@@H]2C3)nn1 ZINC000052543857 518765949 /nfs/dbraw/zinc/76/59/49/518765949.db2.gz NNLBQEJTCPDTBG-GXTWGEPZSA-N 2 0 277.416 1.651 10 0 CDAERP CC(C)(C)[C@H]([NH3+])C(=O)NCC1([NH3+])CCCCCC1 ZINC000364870702 518957633 /nfs/dbraw/zinc/95/76/33/518957633.db2.gz CRBGUAIWUBWQSC-LLVKDONJSA-N 2 0 255.406 1.528 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)C[C@H]1CCCC[NH2+]1 ZINC000049560240 519336034 /nfs/dbraw/zinc/33/60/34/519336034.db2.gz LSWJDPPVGHJBGB-ZIAGYGMSSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000055131946 519621010 /nfs/dbraw/zinc/62/10/10/519621010.db2.gz XUDQIDPHIYBYIK-OLZOCXBDSA-N 2 0 255.406 1.350 10 0 CDAERP CC(C)[NH+](CCNC(=O)[C@H]1CCC[C@H](C[NH3+])C1)C(C)C ZINC000055146198 519647352 /nfs/dbraw/zinc/64/73/52/519647352.db2.gz DDHVXNDRIOFOKU-GJZGRUSLSA-N 2 0 283.460 1.987 10 0 CDAERP CC(C)CC[NH+]1CCC(CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000236714172 519653625 /nfs/dbraw/zinc/65/36/25/519653625.db2.gz WFSQVCGLHXOUBZ-JKSUJKDBSA-N 2 0 295.471 1.988 10 0 CDAERP CC(C)[NH2+]CC1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000068890155 519720204 /nfs/dbraw/zinc/72/02/04/519720204.db2.gz UJTYDNDGJWEIMD-NSHDSACASA-N 2 0 268.323 1.620 10 0 CDAERP CC(C)C[NH2+]CC1(C[N@@H+]2CCCOCC2)CCOCC1 ZINC000061934893 519742727 /nfs/dbraw/zinc/74/27/27/519742727.db2.gz XMWMTFSTHJENCZ-UHFFFAOYSA-N 2 0 284.444 1.751 10 0 CDAERP CC(C)C[NH2+]CC1(C[N@@H+]2CCC[C@@H](CO)C2)CCOCC1 ZINC000052180502 519742884 /nfs/dbraw/zinc/74/28/84/519742884.db2.gz GPDLYKBIXPRZMJ-MRXNPFEDSA-N 2 0 298.471 1.733 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000052882871 519793329 /nfs/dbraw/zinc/79/33/29/519793329.db2.gz GKHUTJWSKVPTEH-ZBFHGGJFSA-N 2 0 277.412 1.563 10 0 CDAERP CC(C)[C@H]1CC[C@@H]([NH3+])[C@H](N2CCN(CC[NH+](C)C)CC2)C1 ZINC000061643804 519825761 /nfs/dbraw/zinc/82/57/61/519825761.db2.gz XBQZAGSVBSMYPL-GVDBMIGSSA-N 2 0 296.503 1.318 10 0 CDAERP CCC[NH+]1CCN(C[C@]2(CCC)CC[NH2+]C2)CC1 ZINC000062910953 519858754 /nfs/dbraw/zinc/85/87/54/519858754.db2.gz LQEMMHURDDGULW-OAHLLOKOSA-N 2 0 253.434 1.794 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)N(C)C1CC[NH+](CC)CC1 ZINC000061289486 519903507 /nfs/dbraw/zinc/90/35/07/519903507.db2.gz HLXAIAFEAYBKRY-UHFFFAOYSA-N 2 0 255.406 1.317 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000061296640 519904013 /nfs/dbraw/zinc/90/40/13/519904013.db2.gz DEVQHMMHNRDRCS-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000061296411 519904158 /nfs/dbraw/zinc/90/41/58/519904158.db2.gz SGMXCOIISBVCHP-CQSZACIVSA-N 2 0 297.443 1.088 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)NC[C@H](C(CC)CC)[NH+](C)C ZINC000061298641 519905141 /nfs/dbraw/zinc/90/51/41/519905141.db2.gz XTLKGVOYLGJEKG-CYBMUJFWSA-N 2 0 271.449 1.857 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000061298488 519905569 /nfs/dbraw/zinc/90/55/69/519905569.db2.gz ZZEKSPOFYYWGMS-AWEZNQCLSA-N 2 0 277.412 1.794 10 0 CDAERP CC[NH2+]CC1(C[N@@H+]2CCCC[C@H]2CO)CCOCC1 ZINC000052183578 519913259 /nfs/dbraw/zinc/91/32/59/519913259.db2.gz PTWWXVUPUHQCCA-AWEZNQCLSA-N 2 0 270.417 1.240 10 0 CDAERP CC[NH2+]CCC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000061287141 519916116 /nfs/dbraw/zinc/91/61/16/519916116.db2.gz JBORGUWFPZTACX-ZDUSSCGKSA-N 2 0 255.406 1.367 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@@H](C[N@@H+]2CCCN(C)CC2)O1 ZINC000052424365 519925320 /nfs/dbraw/zinc/92/53/20/519925320.db2.gz HUSCEMFNBROQKD-GJZGRUSLSA-N 2 0 269.433 1.171 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000061266999 519935661 /nfs/dbraw/zinc/93/56/61/519935661.db2.gz PTBGHSUATZDDQP-HIFRSBDPSA-N 2 0 277.412 1.651 10 0 CDAERP CCC[NH2+]Cc1c(C)nn(C)c1N1CCC[C@@H]1C[NH+](C)C ZINC000061646051 519942539 /nfs/dbraw/zinc/94/25/39/519942539.db2.gz HFNVFQYNSSHLPE-CQSZACIVSA-N 2 0 293.459 1.759 10 0 CDAERP CC[NH2+]Cc1ccccc1NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000237067797 520008376 /nfs/dbraw/zinc/00/83/76/520008376.db2.gz VVGKKOBTSRIHRI-DGCLKSJQSA-N 2 0 261.369 1.862 10 0 CDAERP CC[NH2+]Cc1cccnc1N1CC[NH+](CC(C)C)CC1 ZINC000055082452 520010041 /nfs/dbraw/zinc/01/00/41/520010041.db2.gz FNCZLDVHGHZASJ-UHFFFAOYSA-N 2 0 276.428 1.969 10 0 CDAERP CC[NH2+]Cc1cn(CC[N@@H+]2CCCC[C@@H]2C)nn1 ZINC000052378847 520012720 /nfs/dbraw/zinc/01/27/20/520012720.db2.gz PQOXHZXZDJNYMN-LBPRGKRZSA-N 2 0 251.378 1.262 10 0 CDAERP CC[NH2+]Cc1cn(CC[N@@H+]2CCCC[C@H]2CC)nn1 ZINC000052447618 520013135 /nfs/dbraw/zinc/01/31/35/520013135.db2.gz RGFMAAYCRKPFGK-CQSZACIVSA-N 2 0 265.405 1.652 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)N(CC[NH+](C)C)Cc1ccc(C)o1 ZINC000061272757 520163746 /nfs/dbraw/zinc/16/37/46/520163746.db2.gz GJYDZCROSLNEDG-CYBMUJFWSA-N 2 0 295.427 1.866 10 0 CDAERP CCCCC[NH2+]C[C@@H](C)N1CCN(CC[NH+](C)C)CC1 ZINC000061655328 520224169 /nfs/dbraw/zinc/22/41/69/520224169.db2.gz UFZSZQUJXWEPNR-MRXNPFEDSA-N 2 0 284.492 1.334 10 0 CDAERP CCCO[C@@H]1CCC[N@H+](Cc2ccnc(C(N)=[NH2+])c2)C1 ZINC000068761522 520274455 /nfs/dbraw/zinc/27/44/55/520274455.db2.gz PTUHDASCCAUOAL-CYBMUJFWSA-N 2 0 276.384 1.757 10 0 CDAERP CC[NH+](CC)CCN1CCc2ccccc2[C@H]1C[NH3+] ZINC000069311907 520664879 /nfs/dbraw/zinc/66/48/79/520664879.db2.gz PMYUTGBVOGKYDN-MRXNPFEDSA-N 2 0 261.413 1.886 10 0 CDAERP CC[NH+](CC)CCOc1ccc2c(c1)OC[C@H]2[NH3+] ZINC000062803946 520699324 /nfs/dbraw/zinc/69/93/24/520699324.db2.gz RAIVQIJJMMMOBB-CYBMUJFWSA-N 2 0 250.342 1.799 10 0 CDAERP CC[N@H+](CCCC(=O)NC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000068819921 521002591 /nfs/dbraw/zinc/00/25/91/521002591.db2.gz FLYJNFZPBOYTEW-FUNVUKJBSA-N 2 0 253.390 1.118 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000227433630 521607831 /nfs/dbraw/zinc/60/78/31/521607831.db2.gz RYFXBZHONLCNFF-CHWSQXEVSA-N 2 0 255.406 1.210 10 0 CDAERP CCOC1CC[NH+](C[C@@H]2CC[C@@H](C[NH2+]C3CC3)O2)CC1 ZINC000052484093 521656201 /nfs/dbraw/zinc/65/62/01/521656201.db2.gz PXYKSDBVDWMLNV-HOTGVXAUSA-N 2 0 282.428 1.787 10 0 CDAERP CC[NH+]1CCN(c2cc(C(N)=[NH2+])c3ccccc3n2)CC1 ZINC000068797617 521696753 /nfs/dbraw/zinc/69/67/53/521696753.db2.gz IMQQRQKHYWYSAU-UHFFFAOYSA-N 2 0 283.379 1.661 10 0 CDAERP C[NH+](C)CCN1CC[NH+](C[C@@H]2CCCCC[C@H]2O)CC1 ZINC000061654128 521764437 /nfs/dbraw/zinc/76/44/37/521764437.db2.gz FQXCEFYDSAVZHP-JKSUJKDBSA-N 2 0 283.460 1.107 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000061652386 521868917 /nfs/dbraw/zinc/86/89/17/521868917.db2.gz RXBRGLQSVKNTPZ-DLBZAZTESA-N 2 0 273.424 1.727 10 0 CDAERP COCC[C@@](C)(C[NH3+])N1CCC(C[NH+]2CCCC2)CC1 ZINC000062050231 521893634 /nfs/dbraw/zinc/89/36/34/521893634.db2.gz KKTZRKJBJOPURQ-INIZCTEOSA-N 2 0 283.460 1.548 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000055131986 522111419 /nfs/dbraw/zinc/11/14/19/522111419.db2.gz PZBZAQIIGOZXTE-ILXRZTDVSA-N 2 0 281.444 1.837 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)C[C@@H]2CCCC[NH2+]2)CC1 ZINC000055082460 522113299 /nfs/dbraw/zinc/11/32/99/522113299.db2.gz WAHOUCMZFDCBIA-KGLIPLIRSA-N 2 0 267.417 1.461 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(CC[NH2+][C@H](C)C2CC2)CC1 ZINC000055075068 522121806 /nfs/dbraw/zinc/12/18/06/522121806.db2.gz RMLCYROUYIEXGE-ZIAGYGMSSA-N 2 0 253.434 1.791 10 0 CDAERP C[NH2+][C@@](CO)(CN1CCC(C[NH+]2CCCC2)CC1)C1CC1 ZINC000070336916 522427088 /nfs/dbraw/zinc/42/70/88/522427088.db2.gz YERSLFROZXVDBH-QGZVFWFLSA-N 2 0 295.471 1.155 10 0 CDAERP C[NH2+][C@](C)(C[C@H](C)[N@H+](C)CC1CC[NH+](C)CC1)C(=O)[O-] ZINC000068646446 522522249 /nfs/dbraw/zinc/52/22/49/522522249.db2.gz MWLXJNYCGXYEMM-SWLSCSKDSA-N 2 0 285.432 1.101 10 0 CDAERP CC[C@H]1CC[C@H]([NH3+])[C@H](N2CCC[C@@H]2C[NH+](C)C)C1 ZINC000061643481 523206464 /nfs/dbraw/zinc/20/64/64/523206464.db2.gz IJZTYPCDKPBWBJ-LJISPDSOSA-N 2 0 253.434 1.918 10 0 CDAERP COCC[N@H+](C)CCNC(=O)Nc1cccc([C@@H](C)[NH3+])c1 ZINC000061400666 523597063 /nfs/dbraw/zinc/59/70/63/523597063.db2.gz MESIFAHZZPIGOI-GFCCVEGCSA-N 2 0 294.399 1.406 10 0 CDAERP COCC[NH+](CCOC)[C@H](C)CCC[NH2+]C(C)C ZINC000052571457 523724438 /nfs/dbraw/zinc/72/44/38/523724438.db2.gz NHSNROSZAWJGEH-CQSZACIVSA-N 2 0 260.422 1.748 10 0 CDAERP COCC[N@H+](Cc1ccc[nH+]c1NN)[C@@H](C)C1CC1 ZINC000052721117 523763626 /nfs/dbraw/zinc/76/36/26/523763626.db2.gz URZXJTXVPLAWQZ-NSHDSACASA-N 2 0 264.373 1.614 10 0 CDAERP COCC[N@H+](Cc1ccnc(C(N)=[NH2+])c1)[C@@H](C)C1CC1 ZINC000068761635 523768996 /nfs/dbraw/zinc/76/89/96/523768996.db2.gz VOWBLUNLXQTVTF-NSHDSACASA-N 2 0 276.384 1.613 10 0 CDAERP C[N@@H+]1CCCN(c2cc(Cl)ccc2C(N)=[NH2+])CC1 ZINC000062788773 523812307 /nfs/dbraw/zinc/81/23/07/523812307.db2.gz LNBBMZIVYAQSMM-UHFFFAOYSA-N 2 0 266.776 1.766 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C[C@]2(C[NH2+]C)CCOC2)CC1 ZINC000055071754 523955727 /nfs/dbraw/zinc/95/57/27/523955727.db2.gz PHIPDQUFDLWIBJ-LSDHHAIUSA-N 2 0 269.433 1.029 10 0 CDAERP CC[C@H](C)[NH+]1CCN([C@H](c2ccccn2)[C@@H](C)[NH3+])CC1 ZINC000055063867 523959823 /nfs/dbraw/zinc/95/98/23/523959823.db2.gz JZIBJICXQGCRDL-LZWOXQAQSA-N 2 0 276.428 1.886 10 0 CDAERP C[NH+](C)C1(CNC(=O)CC[C@H]2CCCC[N@@H+]2C)CCC1 ZINC000356806066 524035325 /nfs/dbraw/zinc/03/53/25/524035325.db2.gz GWWXXTDHAKDCDS-CQSZACIVSA-N 2 0 281.444 1.851 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000055087432 524038417 /nfs/dbraw/zinc/03/84/17/524038417.db2.gz WCWKMQFPVVPTIO-QWHCGFSZSA-N 2 0 253.390 1.057 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@H]2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000055147424 524038547 /nfs/dbraw/zinc/03/85/47/524038547.db2.gz UPXWJEASYDNKGG-KBPBESRZSA-N 2 0 281.444 1.694 10 0 CDAERP C[C@@H]1CCCC[C@@H]1[N@H+](C)CCn1cc(C[NH3+])nn1 ZINC000052546777 524131220 /nfs/dbraw/zinc/13/12/20/524131220.db2.gz NSJRYYSKXYRIGQ-YPMHNXCESA-N 2 0 251.378 1.247 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[C@@H]([NH3+])C1)C[NH+]1CCCCC1 ZINC000227794442 524452931 /nfs/dbraw/zinc/45/29/31/524452931.db2.gz PHOMHSSKDPACNA-HZSPNIEDSA-N 2 0 267.417 1.352 10 0 CDAERP C[C@@H](CC[NH+](C)C)[NH2+]C[C@@H](O)CO[C@@H]1CCCC[C@@H]1C ZINC000049557182 524474979 /nfs/dbraw/zinc/47/49/79/524474979.db2.gz TVZNWSBIDUPPNJ-CAOSSQGBSA-N 2 0 286.460 1.872 10 0 CDAERP C[C@@H]1CC[N@H+](CC2(C[NH2+]C3CC3)CCOCC2)C1 ZINC000052182192 524504557 /nfs/dbraw/zinc/50/45/57/524504557.db2.gz YETUGGKCMBVNMG-CYBMUJFWSA-N 2 0 252.402 1.877 10 0 CDAERP COc1ccccc1N1CC[NH+]([C@H](C)CCC[NH3+])CC1 ZINC000052422931 524561476 /nfs/dbraw/zinc/56/14/76/524561476.db2.gz ZZOIYUWFUFNTHG-CQSZACIVSA-N 2 0 277.412 1.945 10 0 CDAERP C[C@@H](C[NH+]1CCCC1)NC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000055140693 524590989 /nfs/dbraw/zinc/59/09/89/524590989.db2.gz PPVXSXLPVYFRBK-MJBXVCDLSA-N 2 0 267.417 1.495 10 0 CDAERP C[C@@H]1CC[C@@H]([NH3+])C[C@@H]1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000055123275 524602042 /nfs/dbraw/zinc/60/20/42/524602042.db2.gz HTXOAWVBPFCAAD-BZPMIXESSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@@H](CN1[C@@H]2CC[C@H]1CC([NH3+])C2)[NH+]1CCCCC1 ZINC000054629468 524637117 /nfs/dbraw/zinc/63/71/17/524637117.db2.gz AFOIRRWMHVJDDV-AVOUXACISA-N 2 0 251.418 1.815 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CC[NH+](C(C)(C)C)CC2)CC[C@@H]1[NH3+] ZINC000055141064 524767434 /nfs/dbraw/zinc/76/74/34/524767434.db2.gz DKMIENXAINESFO-IHRRRGAJSA-N 2 0 281.444 1.693 10 0 CDAERP Cc1cc(F)ccc1[C@H](C[NH3+])N1CCC[N@@H+](C)CC1 ZINC000050578340 525009240 /nfs/dbraw/zinc/00/92/40/525009240.db2.gz UPYKHXZVJRRFCK-HNNXBMFYSA-N 2 0 265.376 1.771 10 0 CDAERP C[C@@H]1C[C@H]([NH3+])CC[C@@H]1C(=O)N1CCC([NH+](C)C)CC1 ZINC000055128246 525418457 /nfs/dbraw/zinc/41/84/57/525418457.db2.gz LVCCRJGXEIPNFX-BZPMIXESSA-N 2 0 267.417 1.303 10 0 CDAERP Cc1oc(C[NH3+])cc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515349 526768459 /nfs/dbraw/zinc/76/84/59/526768459.db2.gz CTHGDFUJOMXEJY-UHFFFAOYSA-N 3 0 265.401 1.820 10 0 CDAERP NC(=[NH2+])c1cc(N2CC[NH+](C3CCCC3)CC2)ccn1 ZINC000061814385 526821135 /nfs/dbraw/zinc/82/11/35/526821135.db2.gz DXKBSWHYUCPIEE-UHFFFAOYSA-N 2 0 273.384 1.430 10 0 CDAERP [NH2+]=C(NCCC[NH+]1CCCC1)NC1CCCCC1 ZINC000062081319 526827539 /nfs/dbraw/zinc/82/75/39/526827539.db2.gz UFIYDPZOIUZSDK-UHFFFAOYSA-N 2 0 252.406 1.919 10 0 CDAERP [NH3+]CCC[NH2+]Cc1ccc(O)c(Br)c1 ZINC000062702703 527180421 /nfs/dbraw/zinc/18/04/21/527180421.db2.gz BIPREKUWVOLPCA-UHFFFAOYSA-N 2 0 259.147 1.593 10 0 CDAERP [NH3+]Cc1coc(CN2CC[NH+](C3CCCC3)CC2)c1 ZINC000052573517 527263598 /nfs/dbraw/zinc/26/35/98/527263598.db2.gz JVXGFXDRQAOWRZ-UHFFFAOYSA-N 2 0 263.385 1.799 10 0 CDAERP [NH3+][C@H]1CCCC[C@@H]1C(=O)NCC[NH+]1CCCCC1 ZINC000055089893 527395587 /nfs/dbraw/zinc/39/55/87/527395587.db2.gz JNXRZYHVFSFUJM-STQMWFEESA-N 2 0 253.390 1.106 10 0 CDAERP C[NH2+]CCc1ccccc1C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000422541455 536446928 /nfs/dbraw/zinc/44/69/28/536446928.db2.gz OHZFZGOLMOZSKZ-CYBMUJFWSA-N 2 0 297.349 1.176 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCc1ccc(OC)cc1 ZINC000234720893 536595328 /nfs/dbraw/zinc/59/53/28/536595328.db2.gz CXFUIPBFHXLAHV-CQSZACIVSA-N 2 0 266.385 1.581 10 0 CDAERP COC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)nc1 ZINC000252873203 536680953 /nfs/dbraw/zinc/68/09/53/536680953.db2.gz UNGMJIQDXLFZMJ-QEJZJMRPSA-N 2 0 289.379 1.427 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000422838799 536850272 /nfs/dbraw/zinc/85/02/72/536850272.db2.gz YECIUXYDVGANAH-CVEARBPZSA-N 2 0 291.439 1.856 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCc1ccc(OC)cc1 ZINC000234786251 536850311 /nfs/dbraw/zinc/85/03/11/536850311.db2.gz CXFUIPBFHXLAHV-AWEZNQCLSA-N 2 0 266.385 1.581 10 0 CDAERP Cc1nccn1CCCC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000732166290 575082495 /nfs/dbraw/zinc/08/24/95/575082495.db2.gz NQZNWCLUYWQWCN-OAHLLOKOSA-N 2 0 290.411 1.667 10 0 CDAERP CCCCCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001690101907 1175378530 /nfs/dbraw/zinc/37/85/30/1175378530.db2.gz WRNXNEFBRFALRN-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000806926275 617394813 /nfs/dbraw/zinc/39/48/13/617394813.db2.gz XJSWCCKLHJNKMN-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[NH+](CCN[C@H]1CC[NH2+]C12CCC2)C(C)C ZINC000925509406 617404261 /nfs/dbraw/zinc/40/42/61/617404261.db2.gz MZKYYIDBLXITLH-AWEZNQCLSA-N 2 0 253.434 1.979 10 0 CDAERP C[C@H](CN[C@@H]1CC[NH2+]C12CCCC2)C[NH+]1CCOCC1 ZINC000925510623 617411857 /nfs/dbraw/zinc/41/18/57/617411857.db2.gz YFXUTUHYEBQIBC-HUUCEWRRSA-N 2 0 281.444 1.219 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccccc2)C12CCC2 ZINC000925533091 617465440 /nfs/dbraw/zinc/46/54/40/617465440.db2.gz JDPJCGWWCTYZNA-NWANDNLSSA-N 2 0 276.380 1.286 10 0 CDAERP C[NH+](C)[C@]1(CN[C@H]2C[C@H]([NH3+])C23CCC3)CCSC1 ZINC000925532834 617466188 /nfs/dbraw/zinc/46/61/88/617466188.db2.gz YIQBHVVBCWQVQA-AVGNSLFASA-N 2 0 269.458 1.283 10 0 CDAERP CCC(=O)N1CC[C@H]([NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925560535 617511672 /nfs/dbraw/zinc/51/16/72/617511672.db2.gz MSJYFMVNQOLFLE-RWMBFGLXSA-N 2 0 267.417 1.493 10 0 CDAERP C[NH+]1CCC(OCC(=O)OCC[NH+]2CCCCC2)CC1 ZINC000923788561 617555301 /nfs/dbraw/zinc/55/53/01/617555301.db2.gz NKMYOZJDXNTHQM-UHFFFAOYSA-N 2 0 284.400 1.126 10 0 CDAERP C[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)[C@H]1CCCO1 ZINC000925842700 617874607 /nfs/dbraw/zinc/87/46/07/617874607.db2.gz BXXNYULDSPZNGW-HUUCEWRRSA-N 2 0 269.433 1.219 10 0 CDAERP C[N@@H+]1CCC[C@@H]2CN(C[C@@]3(C)CC[NH2+]C3)CC[C@@H]21 ZINC000220924068 617606150 /nfs/dbraw/zinc/60/61/50/617606150.db2.gz KKKOQXJXXZHGSB-ILXRZTDVSA-N 2 0 251.418 1.402 10 0 CDAERP CC[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)C(=O)NC ZINC000925685216 617673558 /nfs/dbraw/zinc/67/35/58/617673558.db2.gz KXLPSURPWQWIMT-UONOGXRCSA-N 2 0 263.385 1.581 10 0 CDAERP CC1(C)C[C@@H](NC[C@@H]2C[NH2+]CCC2(F)F)C[C@@H]([NH3+])C1 ZINC000925778146 617676123 /nfs/dbraw/zinc/67/61/23/617676123.db2.gz RNJFOYUYASMQLS-TUAOUCFPSA-N 2 0 275.387 1.727 10 0 CDAERP CC1(C)[C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925690866 617694986 /nfs/dbraw/zinc/69/49/86/617694986.db2.gz HVXIYMXUHHKRLF-CRWXNKLISA-N 3 0 251.418 1.352 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000925783109 617700409 /nfs/dbraw/zinc/70/04/09/617700409.db2.gz CNISAVRANSJTNI-XLWJZTARSA-N 2 0 251.418 1.304 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925810292 617751930 /nfs/dbraw/zinc/75/19/30/617751930.db2.gz YLOOAPLQPSBBDD-XIRDDKMYSA-N 3 0 297.487 1.888 10 0 CDAERP [NH3+]CCC[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccccc1 ZINC000925816919 617772268 /nfs/dbraw/zinc/77/22/68/617772268.db2.gz LODCJAOIJYTAKE-KRWDZBQOSA-N 3 0 290.455 1.479 10 0 CDAERP CC1(C)C[C@@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C[C@@H]([NH3+])C1 ZINC000925704040 617773597 /nfs/dbraw/zinc/77/35/97/617773597.db2.gz FYFHLFZSGLTSED-AHDPXTMNSA-N 3 0 265.445 1.870 10 0 CDAERP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000925825283 617805515 /nfs/dbraw/zinc/80/55/15/617805515.db2.gz YRTNRDFZSPNLEG-WXUBNNCZSA-N 2 0 264.413 1.778 10 0 CDAERP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925848908 617886031 /nfs/dbraw/zinc/88/60/31/617886031.db2.gz GDLDGDYAJHNSIB-MELADBBJSA-N 2 0 280.412 1.696 10 0 CDAERP C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925850924 617886894 /nfs/dbraw/zinc/88/68/94/617886894.db2.gz ABZHYWBWNCULSF-MGPQQGTHSA-N 2 0 280.412 1.840 10 0 CDAERP Cn1nccc1[C@H](O)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000925889525 617981620 /nfs/dbraw/zinc/98/16/20/617981620.db2.gz KIRCEFIYSZJQJS-TTZDDIAXSA-N 2 0 292.427 1.354 10 0 CDAERP C[C@H](CN1CCCC1=O)[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925504931 618173324 /nfs/dbraw/zinc/17/33/24/618173324.db2.gz MXFDTKAYCQSNIM-KBMXLJTQSA-N 2 0 293.455 1.755 10 0 CDAERP COC[C@@H](O)C[N@@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000923424067 618328613 /nfs/dbraw/zinc/32/86/13/618328613.db2.gz FQCJDXIIUDHFAF-KBMXLJTQSA-N 2 0 284.444 1.613 10 0 CDAERP CC(C)[C@@H]1COCC[C@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000924964245 618463968 /nfs/dbraw/zinc/46/39/68/618463968.db2.gz AFHAGPXTXMULKB-DLBZAZTESA-N 2 0 297.487 1.665 10 0 CDAERP COc1c(C)cc(C[NH2+]CCN2CC[NH2+]CC2)cc1C ZINC000841043058 618678005 /nfs/dbraw/zinc/67/80/05/618678005.db2.gz NRUYYBGGMSESMX-UHFFFAOYSA-N 2 0 277.412 1.307 10 0 CDAERP CC[C@H](C[C@](C)(O)CC)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000925111344 619321537 /nfs/dbraw/zinc/32/15/37/619321537.db2.gz CCPPBIYMBBCYBN-ZIAGYGMSSA-N 2 0 272.433 1.362 10 0 CDAERP C[C@H]1CN(Cc2cnc(N)s2)CCN1c1cc[nH+]cc1 ZINC000895558309 619726563 /nfs/dbraw/zinc/72/65/63/619726563.db2.gz VOTSKADXUNZGDW-NSHDSACASA-N 2 0 289.408 1.831 10 0 CDAERP C[C@H]1CCN(CC[NH2+][C@H]2CCOC23CCOCC3)C1 ZINC000925198922 620550476 /nfs/dbraw/zinc/55/04/76/620550476.db2.gz YVWOVSNVMVPIGY-KBPBESRZSA-N 2 0 268.401 1.256 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](NC2[C@@H]3CC[C@H]2C[N@@H+](C)C3)C1 ZINC000925218989 620565707 /nfs/dbraw/zinc/56/57/07/620565707.db2.gz BBAJJAZMHMZDQF-KJAHXBPPSA-N 2 0 265.445 1.789 10 0 CDAERP O=C(NC1CC[NH+](C2CCC2)CC1)[C@@]12CC[N@H+](C1)CCC2 ZINC000897921323 621227509 /nfs/dbraw/zinc/22/75/09/621227509.db2.gz GMZVNWZWMREYSQ-KRWDZBQOSA-N 2 0 291.439 1.605 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](C)[C@H]2C)C[C@@H]1C ZINC000925323697 621538068 /nfs/dbraw/zinc/53/80/68/621538068.db2.gz AANUMNKYSZXYAS-ZQDZILKHSA-N 2 0 296.459 1.593 10 0 CDAERP CCN(C(=O)[C@@H]1CC[NH+]1C(C)(C)C)[C@@H]1CC[N@H+](C)C1 ZINC000898587895 621801634 /nfs/dbraw/zinc/80/16/34/621801634.db2.gz SMSJRBXEXOVEAR-OLZOCXBDSA-N 2 0 267.417 1.412 10 0 CDAERP c1c([C@@H]2CCCC[NH2+]2)nnn1CCC[NH+]1CCSCC1 ZINC000899707837 622377292 /nfs/dbraw/zinc/37/72/92/622377292.db2.gz ZHQAISUGWGELOG-ZDUSSCGKSA-N 2 0 295.456 1.532 10 0 CDAERP C[NH+](C)C[C@](C)(O)C[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1 ZINC000902886386 625575746 /nfs/dbraw/zinc/57/57/46/625575746.db2.gz NQTRCSKUBARGGH-IXDOHACOSA-N 2 0 298.471 1.874 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900694563 623352420 /nfs/dbraw/zinc/35/24/20/623352420.db2.gz IVVNUTSHUKXKFY-RRFJBIMHSA-N 2 0 281.444 1.850 10 0 CDAERP C[NH+](C)CC[C@H](NC(=O)C12CC[NH+](CC1)C2)C(C)(C)C ZINC000900736860 623433627 /nfs/dbraw/zinc/43/36/27/623433627.db2.gz XJEOJSDJSGUKBV-ZDUSSCGKSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@H](CN1CCOCC1)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000903339641 625971362 /nfs/dbraw/zinc/97/13/62/625971362.db2.gz MRZYDLIISGDVKL-HUUCEWRRSA-N 2 0 283.460 1.560 10 0 CDAERP COc1cc(C[N@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)ccc1O ZINC000903429990 625989591 /nfs/dbraw/zinc/98/95/91/625989591.db2.gz MMBIHSGYMUGSSI-YPMHNXCESA-N 2 0 264.369 1.688 10 0 CDAERP CCC(=O)N1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903432997 625990951 /nfs/dbraw/zinc/99/09/51/625990951.db2.gz QARRGGNEPKALHU-OLZOCXBDSA-N 2 0 253.390 1.058 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC(N3CCCCC3=O)CC2)C1 ZINC000903457540 625993827 /nfs/dbraw/zinc/99/38/27/625993827.db2.gz WMSGFGKMDMLAHG-UONOGXRCSA-N 2 0 279.428 1.591 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000903444219 625997969 /nfs/dbraw/zinc/99/79/69/625997969.db2.gz QAMMEAGHVOTMSO-OAGGEKHMSA-N 2 0 265.445 1.650 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000903453511 626001182 /nfs/dbraw/zinc/00/11/82/626001182.db2.gz AHGAWONPNXRLIZ-QPSCCSFWSA-N 3 0 251.418 1.163 10 0 CDAERP C[C@H](c1nc(C2CC2)no1)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496443 626012225 /nfs/dbraw/zinc/01/22/25/626012225.db2.gz NYYYVCLWTBABHN-CKYFFXLPSA-N 2 0 264.373 1.925 10 0 CDAERP C[C@@H](c1nc(C2CC2)no1)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496444 626012243 /nfs/dbraw/zinc/01/22/43/626012243.db2.gz NYYYVCLWTBABHN-JFGNBEQYSA-N 2 0 264.373 1.925 10 0 CDAERP COc1ccc([C@@H](C[NH3+])CN2C[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000903556802 626024884 /nfs/dbraw/zinc/02/48/84/626024884.db2.gz FKFPSTFKWAOUDL-DZGCQCFKSA-N 2 0 277.412 1.407 10 0 CDAERP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903784441 626093598 /nfs/dbraw/zinc/09/35/98/626093598.db2.gz OUTDMSSPJALQTQ-GVDBMIGSSA-N 3 0 293.455 1.221 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCC[C@@H](C)CC2)cnn1C ZINC000903890184 626124204 /nfs/dbraw/zinc/12/42/04/626124204.db2.gz YYSLVHOCIQRNMW-UKRRQHHQSA-N 2 0 278.444 1.968 10 0 CDAERP CC(C)[C@H](C)[N@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903880932 626130936 /nfs/dbraw/zinc/13/09/36/626130936.db2.gz XMPSEUMEJXHJTL-QWHCGFSZSA-N 2 0 265.405 1.679 10 0 CDAERP CCC(C)(C)[N@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903893276 626134720 /nfs/dbraw/zinc/13/47/20/626134720.db2.gz UIEWRWQLPDNVHG-GFCCVEGCSA-N 2 0 265.405 1.823 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCC[C@H]2C)cnn1C ZINC000903892838 626134848 /nfs/dbraw/zinc/13/48/48/626134848.db2.gz NAAIXFGWUFEGBY-YPMHNXCESA-N 2 0 250.390 1.330 10 0 CDAERP C(C[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C[C@H]1CCC[NH2+]1 ZINC000903918541 626146046 /nfs/dbraw/zinc/14/60/46/626146046.db2.gz BAWWGBMHILDKDR-WIGRTHMWSA-N 3 0 251.418 1.639 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[NH2+]Cc2cccs2)cnn1C ZINC000903919543 626146491 /nfs/dbraw/zinc/14/64/91/626146491.db2.gz DOOIMSLHSWSCHF-LBPRGKRZSA-N 2 0 278.425 1.697 10 0 CDAERP C[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H](C)N1CCOCC1 ZINC000903922857 626147763 /nfs/dbraw/zinc/14/77/63/626147763.db2.gz GGHVWZLBTWFWSH-FVPDABNVSA-N 2 0 281.444 1.216 10 0 CDAERP [NH3+][C@H](CN[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)CC(F)F ZINC000903932997 626152963 /nfs/dbraw/zinc/15/29/63/626152963.db2.gz JIYUJGXVSPABAT-BFHYXJOUSA-N 2 0 283.366 1.704 10 0 CDAERP FC1(F)CC[NH2+]C[C@H]1CNCc1cccc2c1CC[NH2+]C2 ZINC000903957659 626158193 /nfs/dbraw/zinc/15/81/93/626158193.db2.gz SEQDVTPKKXUFEF-AWEZNQCLSA-N 2 0 295.377 1.667 10 0 CDAERP COC[C@@H]([NH2+]C1CCC([NH3+])CC1)[C@@H]1CCCOC1 ZINC000903959696 626159383 /nfs/dbraw/zinc/15/93/83/626159383.db2.gz MNNRZBLYFFBNAH-BLYZHGLHSA-N 2 0 256.390 1.288 10 0 CDAERP CC(C)OC(=O)C1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000903955009 626166348 /nfs/dbraw/zinc/16/63/48/626166348.db2.gz YDWVEPXYTMCGEY-OAHLLOKOSA-N 2 0 268.401 1.650 10 0 CDAERP COCCCn1nccc1C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903977942 626169932 /nfs/dbraw/zinc/16/99/32/626169932.db2.gz FIWHIYNTJOCCQB-ZIAGYGMSSA-N 2 0 280.416 1.336 10 0 CDAERP C[C@@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000903967419 626172375 /nfs/dbraw/zinc/17/23/75/626172375.db2.gz JHDUPZNRJRFLQC-QPSCCSFWSA-N 2 0 253.434 1.742 10 0 CDAERP c1nc(C2CCCC2)sc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000904397035 626273509 /nfs/dbraw/zinc/27/35/09/626273509.db2.gz WMWBQJDCSYHRTD-UHFFFAOYSA-N 2 0 294.468 1.796 10 0 CDAERP C[C@@H](CNC(=[NH2+])NC[C@@H]1CCCS1)[NH+]1CCCC1 ZINC000905041580 626381033 /nfs/dbraw/zinc/38/10/33/626381033.db2.gz KTQBZHSYXGAOCW-RYUDHWBXSA-N 2 0 270.446 1.480 10 0 CDAERP [NH3+]Cc1nc(-c2nc(CC3CC[NH2+]CC3)no2)cs1 ZINC000905317559 626746364 /nfs/dbraw/zinc/74/63/64/626746364.db2.gz JEWPLFVRFAYQFB-UHFFFAOYSA-N 2 0 279.369 1.194 10 0 CDAERP CCC[C@](C)([NH3+])c1nc(CC2CC[NH2+]CC2)no1 ZINC000905318715 626746762 /nfs/dbraw/zinc/74/67/62/626746762.db2.gz RGDPEOPTYWWDTO-ZDUSSCGKSA-N 2 0 252.362 1.586 10 0 CDAERP C(c1noc([C@H]2C[C@]23CCC[NH2+]C3)n1)C1CC[NH2+]CC1 ZINC000905309496 626758840 /nfs/dbraw/zinc/75/88/40/626758840.db2.gz WYOCBJKJPLSZKA-DOMZBBRYSA-N 2 0 276.384 1.469 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)CCC2(O)CCC2)C[C@@H]1C ZINC000905934776 627049480 /nfs/dbraw/zinc/04/94/80/627049480.db2.gz RIBYKAIPSITIAK-HRCADAONSA-N 2 0 298.471 1.847 10 0 CDAERP CC(C)C[C@@H]([NH3+])C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000906078955 627118857 /nfs/dbraw/zinc/11/88/57/627118857.db2.gz YESMUZQAAKVMJK-MGPQQGTHSA-N 2 0 267.417 1.350 10 0 CDAERP C[NH2+]Cc1ncc(-c2ccc(CC[NH+](C)C)cc2)cn1 ZINC000906171672 627141999 /nfs/dbraw/zinc/14/19/99/627141999.db2.gz ZDNATMKFOZUVEN-UHFFFAOYSA-N 2 0 270.380 1.967 10 0 CDAERP CC[C@@H](C(=O)N[C@@]1(C)C[NH+]2CCC1CC2)[NH+](CC)CC ZINC000912377927 629950940 /nfs/dbraw/zinc/95/09/40/629950940.db2.gz HAUQULTZMRETPY-HOCLYGCPSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@@]1(C)C[NH+]2CCC1CC2 ZINC000912379263 629951342 /nfs/dbraw/zinc/95/13/42/629951342.db2.gz MXERDWMRBHWTBA-ZENOOKHLSA-N 2 0 279.428 1.460 10 0 CDAERP C[C@@H](C(=O)N[C@@]1(C)C[NH+]2CCC1CC2)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000912379611 629952613 /nfs/dbraw/zinc/95/26/13/629952613.db2.gz OGCKXZXJRDOWRM-LOUJCGABSA-N 2 0 293.455 1.848 10 0 CDAERP O=C(C1CC[NH+](C2CC2)CC1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912909774 630277512 /nfs/dbraw/zinc/27/75/12/630277512.db2.gz VCQQAUNKRFGPTP-HNNXBMFYSA-N 2 0 277.412 1.167 10 0 CDAERP C[NH+](C)C1(C(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)CCC1 ZINC000913278494 630421860 /nfs/dbraw/zinc/42/18/60/630421860.db2.gz HFNZWAJUSVOHQR-HUUCEWRRSA-N 2 0 279.428 1.271 10 0 CDAERP C[NH+](C)C1(C)CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000913387737 630465393 /nfs/dbraw/zinc/46/53/93/630465393.db2.gz RFTFWJNQMJYSMX-UHFFFAOYSA-N 2 0 267.417 1.271 10 0 CDAERP CC[N@H+](CC(=O)N1CCC(C)([NH+](C)C)CC1)C1CC1 ZINC000913395427 630465933 /nfs/dbraw/zinc/46/59/33/630465933.db2.gz YMBUZGFBBBYYQQ-UHFFFAOYSA-N 2 0 267.417 1.413 10 0 CDAERP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)C2(O)CCCC2)C1 ZINC000929778996 630936002 /nfs/dbraw/zinc/93/60/02/630936002.db2.gz MHNVTMGSWMUCAO-CABCVRRESA-N 2 0 284.444 1.316 10 0 CDAERP C[C@H]1[C@H](NC(=O)NCC[NH+](C)C2CCCC2)CC[N@@H+]1C ZINC000916980059 632118249 /nfs/dbraw/zinc/11/82/49/632118249.db2.gz YAUQAGVCDBAAPO-GXTWGEPZSA-N 2 0 282.432 1.253 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CC[NH+](C)[C@@H]1C ZINC000919528458 632620551 /nfs/dbraw/zinc/62/05/51/632620551.db2.gz JREAFVJJTSUALJ-RBSFLKMASA-N 2 0 296.459 1.643 10 0 CDAERP C[N@H+](CCCn1ccnc1)CCO[C@H]1CCOC1 ZINC000930125748 632755200 /nfs/dbraw/zinc/75/52/00/632755200.db2.gz PYIDMNPHKNWODK-ZDUSSCGKSA-N 2 0 253.346 1.011 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1)N1CC[NH+](C)CC1 ZINC000921689621 633183726 /nfs/dbraw/zinc/18/37/26/633183726.db2.gz JGVGCAKNPVDUHD-LTIDMASMSA-N 2 0 295.471 1.417 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000868218820 678771900 /nfs/dbraw/zinc/77/19/00/678771900.db2.gz LTOXKHIZDIRPSQ-UHFFFAOYSA-N 2 0 298.475 1.889 10 0 CDAERP CC(C)[NH+]1CCC(CC[NH2+]C[C@@H](O)CC(C)(C)O)CC1 ZINC000872223800 678822192 /nfs/dbraw/zinc/82/21/92/678822192.db2.gz YCXSVWMWTVMGAQ-HNNXBMFYSA-N 2 0 286.460 1.608 10 0 CDAERP C[C@H]1CCC[N@H+](CCNC(=[NH2+])NCCC2CC2)C1 ZINC000864452356 679180249 /nfs/dbraw/zinc/18/02/49/679180249.db2.gz NNHLSMKJVFLILO-LBPRGKRZSA-N 2 0 252.406 1.632 10 0 CDAERP C[C@H](C[NH2+]Cc1nc(Br)c[nH]1)Cn1ccnc1 ZINC000921607994 679191422 /nfs/dbraw/zinc/19/14/22/679191422.db2.gz DDLUSPSUKYUOSB-SECBINFHSA-N 2 0 298.188 1.795 10 0 CDAERP C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)[C@H]1CCCOC1 ZINC000925845604 679440349 /nfs/dbraw/zinc/44/03/49/679440349.db2.gz MJTQQYOJBKZNCL-LXTVHRRPSA-N 2 0 252.402 1.923 10 0 CDAERP CC(C)[C@H](C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723886921 679495518 /nfs/dbraw/zinc/49/55/18/679495518.db2.gz OBAYIZGRLMLGMZ-FRRDWIJNSA-N 2 0 255.406 1.064 10 0 CDAERP CC[C@H]1CCCCN1C(=O)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923513491 679565898 /nfs/dbraw/zinc/56/58/98/679565898.db2.gz AWFDWOWRKLWUPQ-TUVASFSCSA-N 2 0 281.444 1.693 10 0 CDAERP C[C@H](C[NH2+]C1[C@H](C)COC[C@H]1C)C[NH+]1CCCC1 ZINC000924718455 679614771 /nfs/dbraw/zinc/61/47/71/679614771.db2.gz YKSBGHDGMCBCGF-MGPQQGTHSA-N 2 0 254.418 1.979 10 0 CDAERP CCC(CC)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923501429 679648228 /nfs/dbraw/zinc/64/82/28/679648228.db2.gz UJFIEROSJVHUHG-AVGNSLFASA-N 2 0 269.433 1.596 10 0 CDAERP C[NH+](C)C1CC([NH2+][C@H]2CCOC3(CCOCC3)C2)C1 ZINC000701502361 677732114 /nfs/dbraw/zinc/73/21/14/677732114.db2.gz KSILUPJQTPSASA-HSBZDZAISA-N 2 0 268.401 1.397 10 0 CDAERP CC[N@H+]1[C@H](C)CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC000880609283 677764110 /nfs/dbraw/zinc/76/41/10/677764110.db2.gz UNMSDWPBNLHYHB-OKILXGFUSA-N 2 0 269.433 1.659 10 0 CDAERP CCN1C[C@H](CN2CC[C@H](C[N@H+](C)CC3CC3)C2)OC1=O ZINC000846806291 677778368 /nfs/dbraw/zinc/77/83/68/677778368.db2.gz FIERTIFWPYMPQC-CABCVRRESA-N 2 0 295.427 1.491 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H]3C[C@H]32)CC1 ZINC000839534678 677791990 /nfs/dbraw/zinc/79/19/90/677791990.db2.gz VGZAVDCTOMTNFX-GXTWGEPZSA-N 2 0 265.401 1.070 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCN2CCCCC2)C1 ZINC000925532114 677815168 /nfs/dbraw/zinc/81/51/68/677815168.db2.gz CVLIRERJRWIZPG-UONOGXRCSA-N 2 0 253.434 1.968 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](C[C@@H](O)CC(F)(F)F)C1 ZINC000923415430 677897989 /nfs/dbraw/zinc/89/79/89/677897989.db2.gz PRYPGWWHBKSUFZ-CMPLNLGQSA-N 2 0 282.350 1.997 10 0 CDAERP NC(=O)[C@]12CCC[C@H]1C[N@H+](CCC[NH+]1CCCCC1)C2 ZINC000933762553 678091307 /nfs/dbraw/zinc/09/13/07/678091307.db2.gz VAMLCJWJSKJWJP-HOCLYGCPSA-N 2 0 279.428 1.450 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)C1CCC([NH3+])CC1 ZINC000861671763 678059974 /nfs/dbraw/zinc/05/99/74/678059974.db2.gz OIZIBPYNAOKPAB-IFWUJCSASA-N 2 0 268.405 1.038 10 0 CDAERP [NH3+]CCCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000708871317 678082753 /nfs/dbraw/zinc/08/27/53/678082753.db2.gz VSSXJQWRBSZTJW-OLZOCXBDSA-N 2 0 274.430 1.157 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCCNC(=[NH2+])NC1CC1 ZINC000848989316 678086770 /nfs/dbraw/zinc/08/67/70/678086770.db2.gz NPSXQKKYUIWXIQ-GFCCVEGCSA-N 2 0 252.406 1.917 10 0 CDAERP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCn3cncc32)cn1 ZINC000857978967 678108781 /nfs/dbraw/zinc/10/87/81/678108781.db2.gz MJCOZXKGKDKXAX-CYBMUJFWSA-N 2 0 285.351 1.215 10 0 CDAERP CCO[C@H](CN[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)C[NH+](C)C ZINC000922757445 678109227 /nfs/dbraw/zinc/10/92/27/678109227.db2.gz GILPWKMCPHYFEG-KCQAQPDRSA-N 2 0 269.433 1.168 10 0 CDAERP CC[C@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)[C@H]1CCCOC1 ZINC000872062240 678149026 /nfs/dbraw/zinc/14/90/26/678149026.db2.gz FBGNVCBPCMDSII-ULQDDVLXSA-N 2 0 297.487 1.807 10 0 CDAERP CC(=O)NCCCCC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000929638024 678120171 /nfs/dbraw/zinc/12/01/71/678120171.db2.gz UDQOLNOSKYSGMJ-CQSZACIVSA-N 2 0 255.406 1.176 10 0 CDAERP C[NH+](C)[C@H]1CCCN(C(=O)CCC23CC(C2)C[NH2+]3)C1 ZINC000870880047 678166975 /nfs/dbraw/zinc/16/69/75/678166975.db2.gz UTNLQCGPEFZMHI-OWYJLGKBSA-N 2 0 265.401 1.071 10 0 CDAERP CC1([C@H]2CCC[N@@H+](C[C@@]3(C)CC[NH2+]C3)C2)OCCO1 ZINC000262006844 678174549 /nfs/dbraw/zinc/17/45/49/678174549.db2.gz LXMMMLDABIHZMG-KBPBESRZSA-N 2 0 268.401 1.461 10 0 CDAERP C[C@H]1C[C@@H](C[N@@H+]2CCN(C)C(C)(C)CC2)CC[NH2+]1 ZINC000712648543 679674926 /nfs/dbraw/zinc/67/49/26/679674926.db2.gz NTDCNLHMWVELRN-KBPBESRZSA-N 2 0 253.434 1.791 10 0 CDAERP Cn1ncc2cc(C[NH2+][C@@H]3CCn4ccnc4C3)cnc21 ZINC000865532679 679675001 /nfs/dbraw/zinc/67/50/01/679675001.db2.gz KJBFZQCLLYLPQI-CYBMUJFWSA-N 2 0 282.351 1.269 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+]Cc2ccnc(F)c2C)CC1 ZINC000862294240 679676291 /nfs/dbraw/zinc/67/62/91/679676291.db2.gz DCVTZHANCRBXKY-UHFFFAOYSA-N 2 0 294.418 1.646 10 0 CDAERP C[C@@H]1C[N@H+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)C[C@H]1CC[NH3+] ZINC000723894834 679682653 /nfs/dbraw/zinc/68/26/53/679682653.db2.gz PHZZEEAAFHQRSJ-QKGCVVFFSA-N 2 0 252.402 1.861 10 0 CDAERP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2[C@@H](C)COC[C@H]2C)C1 ZINC000924753843 679683209 /nfs/dbraw/zinc/68/32/09/679683209.db2.gz QOIORPQGNQFWCE-LJISPDSOSA-N 2 0 254.418 1.979 10 0 CDAERP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000713044530 679689392 /nfs/dbraw/zinc/68/93/92/679689392.db2.gz QNJKVUXWINCVQM-VXGBXAGGSA-N 2 0 255.406 1.206 10 0 CDAERP CCC(CC)[C@H](CNC(=[NH2+])N[C@@H]1C[C@H]1C)[NH+](C)C ZINC000864450063 679696237 /nfs/dbraw/zinc/69/62/37/679696237.db2.gz DEABIGQLGVMGTP-RTXFEEFZSA-N 2 0 254.422 1.875 10 0 CDAERP CC[C@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)[C@@H]1CCC[NH2+]1 ZINC000925829417 679698180 /nfs/dbraw/zinc/69/81/80/679698180.db2.gz DFDIEFPJHUFPJI-AICCOOGYSA-N 2 0 250.386 1.698 10 0 CDAERP Cc1cnc(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)cn1 ZINC000923452703 677736705 /nfs/dbraw/zinc/73/67/05/677736705.db2.gz VWZDXQLCNFNTDD-CQSZACIVSA-N 2 0 276.384 1.115 10 0 CDAERP Cn1nc2c(c1CNC[C@@H]1CC[N@@H+](C3CC3)C1)COCC2 ZINC000921529409 677736996 /nfs/dbraw/zinc/73/69/96/677736996.db2.gz ZBNAJRKDUDVGJL-LBPRGKRZSA-N 2 0 290.411 1.067 10 0 CDAERP CCCC[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC(N)=O ZINC000923305909 677746658 /nfs/dbraw/zinc/74/66/58/677746658.db2.gz LNXQAFLVYNXZSK-AGUYFDCRSA-N 2 0 267.417 1.495 10 0 CDAERP c1nncn1CC1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000923385421 677805184 /nfs/dbraw/zinc/80/51/84/677805184.db2.gz BCADLXIDBZRIDW-UHFFFAOYSA-N 2 0 263.389 1.132 10 0 CDAERP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CC[NH+](CC2CCC2)CC1 ZINC000863546807 677817658 /nfs/dbraw/zinc/81/76/58/677817658.db2.gz GXMPWZJWRONRHC-UONOGXRCSA-N 2 0 279.384 1.044 10 0 CDAERP CC[C@@H](CN[C@@H]1CC[NH2+]C12CCC2)[NH+]1CCCC1 ZINC000925607256 677891209 /nfs/dbraw/zinc/89/12/09/677891209.db2.gz UAMMPZWSBVDIPI-UONOGXRCSA-N 2 0 251.418 1.735 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2CCC3(COC3)O2)C[C@@H]1C ZINC000929778600 677913045 /nfs/dbraw/zinc/91/30/45/677913045.db2.gz BPDIIVNEHKOLJI-SOUVJXGZSA-N 2 0 282.428 1.739 10 0 CDAERP CC(C)N1CC[C@H]([NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)C1=O ZINC000925601705 677968685 /nfs/dbraw/zinc/96/86/85/677968685.db2.gz NDPHJCZQNZPBNM-XQQFMLRXSA-N 2 0 267.417 1.491 10 0 CDAERP C[C@H](CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)[NH+]1CCCCC1 ZINC000841724296 678002526 /nfs/dbraw/zinc/00/25/26/678002526.db2.gz FHYZKVOBNPVZGI-UKRRQHHQSA-N 2 0 294.443 1.397 10 0 CDAERP CC[NH+]1CCN(c2ccc(C[NH2+]C(C)C)cn2)CC1 ZINC000051436620 678042205 /nfs/dbraw/zinc/04/22/05/678042205.db2.gz UGZOIWSAACEDJJ-UHFFFAOYSA-N 2 0 262.401 1.722 10 0 CDAERP C[C@@H]1CCC[C@@](CNC2=[NH+]CCCCN2)([NH+](C)C)C1 ZINC000700228416 678058606 /nfs/dbraw/zinc/05/86/06/678058606.db2.gz PCFHERDBZVUXER-UKRRQHHQSA-N 2 0 266.433 1.826 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCN1CCOC(C)(C)C1 ZINC000924963700 678097372 /nfs/dbraw/zinc/09/73/72/678097372.db2.gz ZXAMTFYHAPQSSG-YIONKMFJSA-N 2 0 281.444 1.027 10 0 CDAERP CC(C)[C@@H]1COCC[C@@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000926357913 678100267 /nfs/dbraw/zinc/10/02/67/678100267.db2.gz SBBPYXBVOWEVHF-HOTGVXAUSA-N 2 0 297.487 1.663 10 0 CDAERP C[NH+](C)[C@@H](CNC1=[NH+]CCCCN1)C1CCCCC1 ZINC000849215514 678142989 /nfs/dbraw/zinc/14/29/89/678142989.db2.gz NTIMVSFILVINQC-AWEZNQCLSA-N 2 0 266.433 1.826 10 0 CDAERP O[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925689459 678150782 /nfs/dbraw/zinc/15/07/82/678150782.db2.gz HHIAHIMGBPJEIX-ZJIFWQFVSA-N 2 0 266.429 1.905 10 0 CDAERP Nc1cc[nH+]c2c1CN(CCOC1CCOCC1)CC2 ZINC000931516406 678182550 /nfs/dbraw/zinc/18/25/50/678182550.db2.gz NQRMYRUEMMYOMO-UHFFFAOYSA-N 2 0 277.368 1.218 10 0 CDAERP Cc1cc(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)nc(N)[nH+]1 ZINC000389939293 678256757 /nfs/dbraw/zinc/25/67/57/678256757.db2.gz OCPXZIMLTOZJGF-SWLSCSKDSA-N 2 0 297.406 1.552 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@@H]2CCc3c2cccc3F)CC1 ZINC000925808191 678261348 /nfs/dbraw/zinc/26/13/48/678261348.db2.gz ASRJSLKAPQHUII-MRXNPFEDSA-N 2 0 277.387 1.826 10 0 CDAERP C[C@@H](Cn1cncn1)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927038353 678329727 /nfs/dbraw/zinc/32/97/27/678329727.db2.gz PUFTYGXMSHWOOA-NFOMZHRRSA-N 2 0 277.416 1.663 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2C)C[C@H]1CC[NH3+] ZINC000723886613 678337201 /nfs/dbraw/zinc/33/72/01/678337201.db2.gz MLWCIWHXWWDBQW-KBUPBQIOSA-N 2 0 281.444 1.598 10 0 CDAERP CC1(C)C[C@@H]([NH2+]CC2(S(C)(=O)=O)CCC2)C[C@@H]([NH3+])C1 ZINC000925661311 678340714 /nfs/dbraw/zinc/34/07/14/678340714.db2.gz DALCVAIKLIVYFP-NEPJUHHUSA-N 2 0 288.457 1.449 10 0 CDAERP [NH3+]C1CCN(CCNc2nccc3cccnc32)CC1 ZINC000716908790 678358677 /nfs/dbraw/zinc/35/86/77/678358677.db2.gz SAEQDRZSMHGPKQ-UHFFFAOYSA-N 2 0 271.368 1.465 10 0 CDAERP CCN(CC)C(=O)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000796706028 678359683 /nfs/dbraw/zinc/35/96/83/678359683.db2.gz YADZKEIVEJHIGC-MCIONIFRSA-N 2 0 267.417 1.317 10 0 CDAERP C1C[C@@H]2C[C@H]([NH2+][C@H]3CCC[C@H]3[C@H]3COCCN3)CC[N@@H+]2C1 ZINC000261917090 678364946 /nfs/dbraw/zinc/36/49/46/678364946.db2.gz JQYQCPXMEIWUCP-OVYGPGRDSA-N 2 0 293.455 1.360 10 0 CDAERP C[C@H](NC(=O)CCC12CC(C1)C[NH2+]2)[C@@H]1CCC[NH2+]C1 ZINC000870933915 678365043 /nfs/dbraw/zinc/36/50/43/678365043.db2.gz ARJDHYJDHYSGAJ-OYNVLQORSA-N 2 0 265.401 1.023 10 0 CDAERP COC1(OC)CC[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000710994814 678374538 /nfs/dbraw/zinc/37/45/38/678374538.db2.gz LPEPYSMYSDSPQW-AGIUHOORSA-N 2 0 254.374 1.354 10 0 CDAERP C[N@H+](C[C@H](O)CN1CC[C@](C)(C(F)(F)F)C1)C1CC1 ZINC000708974091 678381724 /nfs/dbraw/zinc/38/17/24/678381724.db2.gz ASBOQKQTRCHERL-RYUDHWBXSA-N 2 0 280.334 1.716 10 0 CDAERP C[NH+](C)C1(CNC(=[NH2+])NCCC2CC2)CCCC1 ZINC000864451675 678405708 /nfs/dbraw/zinc/40/57/08/678405708.db2.gz IQLMOIMJUFLACO-UHFFFAOYSA-N 2 0 252.406 1.775 10 0 CDAERP CSCc1n[nH]c(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000925776181 678405451 /nfs/dbraw/zinc/40/54/51/678405451.db2.gz DZKFEQWPBIBQPO-OUAUKWLOSA-N 2 0 281.429 1.145 10 0 CDAERP CCC[NH+]1CCC([N@H+](C)CCC(=O)N(C)OC)CC1 ZINC000799125427 678472597 /nfs/dbraw/zinc/47/25/97/678472597.db2.gz NOFMNZMWKXHSKK-UHFFFAOYSA-N 2 0 271.405 1.203 10 0 CDAERP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H](CO)Cc1ccccc1)[NH2+]2 ZINC000709414789 678576077 /nfs/dbraw/zinc/57/60/77/678576077.db2.gz BMIAEHYPVGBJOJ-LBWNCTQTSA-N 2 0 274.408 1.709 10 0 CDAERP Cn1cc(CC[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)nn1 ZINC000859290979 678578795 /nfs/dbraw/zinc/57/87/95/678578795.db2.gz CVGFNMPLJUCYQN-UHFFFAOYSA-N 2 0 277.416 1.165 10 0 CDAERP CC[C@H]1CCN(C(=[NH2+])NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000864452044 678611157 /nfs/dbraw/zinc/61/11/57/678611157.db2.gz LHCSDNHXOCPURB-QWHCGFSZSA-N 2 0 264.417 1.727 10 0 CDAERP c1ccc2c(c1)OC[C@@H](CN1CC[C@]3(C1)CCC[NH2+]C3)O2 ZINC000923355872 678630878 /nfs/dbraw/zinc/63/08/78/678630878.db2.gz PADHAKGVUUHAMO-RHSMWYFYSA-N 2 0 288.391 1.902 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCO[C@H]1CC1(F)F ZINC000926698214 678635812 /nfs/dbraw/zinc/63/58/12/678635812.db2.gz ZRIIELDMDILUTG-PSIUFMSWSA-N 2 0 260.328 1.340 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CC[NH+](C)[C@@H]1C ZINC000922518249 678640502 /nfs/dbraw/zinc/64/05/02/678640502.db2.gz WLNPBGAWNKARCZ-YNEHKIRRSA-N 2 0 270.421 1.107 10 0 CDAERP C[C@@H](C[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1)c1nccs1 ZINC000923372380 678669858 /nfs/dbraw/zinc/66/98/58/678669858.db2.gz GQDQSEIXLVJDDZ-NWDGAFQWSA-N 2 0 281.425 1.557 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCCO[C@@H]2CCOC2)C1 ZINC000925553628 678679314 /nfs/dbraw/zinc/67/93/14/678679314.db2.gz UJIWJBXPJZJYKQ-MGPQQGTHSA-N 2 0 270.417 1.678 10 0 CDAERP C[C@@H]1C[C@H](C)[N@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)C[C@H]1C[NH3+] ZINC000724588878 678686599 /nfs/dbraw/zinc/68/65/99/678686599.db2.gz DIFMSGXNNRWDSH-ZAQNNHEOSA-N 2 0 268.401 1.096 10 0 CDAERP CC[C@H](CNC(=[NH2+])N1CCO[C@H](C)C1)[NH+]1CCCC1 ZINC000848986494 678696211 /nfs/dbraw/zinc/69/62/11/678696211.db2.gz YQTFQAPSXRQPFX-CHWSQXEVSA-N 2 0 268.405 1.106 10 0 CDAERP CCOCCN1CC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923320478 678700194 /nfs/dbraw/zinc/70/01/94/678700194.db2.gz YNOOLZXGRHCIEF-ALOPSCKCSA-N 2 0 295.471 1.561 10 0 CDAERP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000923375353 678741510 /nfs/dbraw/zinc/74/15/10/678741510.db2.gz KNALZMFQYFMTGW-HZPDHXFCSA-N 3 0 281.444 1.347 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257728822 678758488 /nfs/dbraw/zinc/75/84/88/678758488.db2.gz WTDZGUZAXYBRBN-UKRRQHHQSA-N 2 0 265.401 1.073 10 0 CDAERP C[C@@H]1CCC[N@H+](CCO[C@@H]2CCOC2)[C@H]1CC[NH3+] ZINC000724943510 678774749 /nfs/dbraw/zinc/77/47/49/678774749.db2.gz PBNNBXZCNIABSL-MCIONIFRSA-N 2 0 256.390 1.241 10 0 CDAERP [NH3+][C@@H]1C[C@@H](NC2CC[NH+](CC3CC3)CC2)C12CCC2 ZINC000925475508 678774884 /nfs/dbraw/zinc/77/48/84/678774884.db2.gz URXCSJIBSNAHKE-HUUCEWRRSA-N 2 0 263.429 1.720 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@@H]2CCc3ccccc3C2)CC1 ZINC000925807244 678805169 /nfs/dbraw/zinc/80/51/69/678805169.db2.gz DPUJGSAMTPAPBX-QGZVFWFLSA-N 2 0 273.424 1.557 10 0 CDAERP C[C@H]([NH2+]C1CC1)C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000825548028 678811556 /nfs/dbraw/zinc/81/15/56/678811556.db2.gz VFOWTUNHRUQTME-OBJOEFQTSA-N 2 0 265.401 1.118 10 0 CDAERP C[C@@H]1CCC[N@@H+]1CCNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870926551 678818482 /nfs/dbraw/zinc/81/84/82/678818482.db2.gz HNFXSIUSLCKWGI-DNOWBOINSA-N 2 0 265.401 1.119 10 0 CDAERP Cc1cc(NCC[C@H](C)[N@H+](C)Cc2ccccc2)nc(N)[nH+]1 ZINC000379691904 678843000 /nfs/dbraw/zinc/84/30/00/678843000.db2.gz IKMOZRNHACHNBY-AWEZNQCLSA-N 2 0 299.422 1.942 10 0 CDAERP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@@H](O)CC1CCCC1)C2 ZINC000703618219 678850055 /nfs/dbraw/zinc/85/00/55/678850055.db2.gz CLMVIWBWHMVSJI-SOUVJXGZSA-N 2 0 252.402 1.469 10 0 CDAERP CC(C)C[C@@H](CNC(=[NH2+])N1CCO[C@H](C)C1)[NH+]1CCCC1 ZINC000848984069 678859126 /nfs/dbraw/zinc/85/91/26/678859126.db2.gz KBEMETVCZUAJHH-CABCVRRESA-N 2 0 296.459 1.742 10 0 CDAERP C[C@H](NC[C@H]1C[NH2+]CCC1(F)F)[C@H]1CCCC[NH2+]1 ZINC000925774529 678865581 /nfs/dbraw/zinc/86/55/81/678865581.db2.gz AYDPWEUKKYKZHP-QJPTWQEYSA-N 2 0 261.360 1.351 10 0 CDAERP CCN1C[C@H](CN2CC[C@]3(C2)CCC[N@H+](C)C3)OC1=O ZINC000846923866 678878805 /nfs/dbraw/zinc/87/88/05/678878805.db2.gz RDPPNTZIBZQJDP-DZGCQCFKSA-N 2 0 281.400 1.245 10 0 CDAERP Cc1ccccc1OC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000923431200 678915555 /nfs/dbraw/zinc/91/55/55/678915555.db2.gz MYLLVXPEOQCIET-OAGGEKHMSA-N 2 0 292.423 1.651 10 0 CDAERP CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705452 678942943 /nfs/dbraw/zinc/94/29/43/678942943.db2.gz ZZECJQSCJUBEST-XJKSGUPXSA-N 2 0 283.460 1.988 10 0 CDAERP C[NH+](C)Cc1cc(CNC(=O)C[C@H]([NH3+])C2CC2)ccc1F ZINC000829707122 678959223 /nfs/dbraw/zinc/95/92/23/678959223.db2.gz VFJALSJMIUVSHI-HNNXBMFYSA-N 2 0 293.386 1.631 10 0 CDAERP C[C@H](CCc1cccnc1)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000866218896 678973837 /nfs/dbraw/zinc/97/38/37/678973837.db2.gz AUKIJJRWIPQSJW-MRXNPFEDSA-N 2 0 290.455 1.630 10 0 CDAERP C[N@@H+]1CCN(C(=O)CC[C@@H]2CC[NH2+]C2)CCC1(C)C ZINC000712676713 678974762 /nfs/dbraw/zinc/97/47/62/678974762.db2.gz AWWIWWKOSHPUOR-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)C=C1CC[NH2+]CC1)C1CCCCC1 ZINC000852858923 678989862 /nfs/dbraw/zinc/98/98/62/678989862.db2.gz LCOGJCICZAIPQM-MRXNPFEDSA-N 2 0 293.455 1.923 10 0 CDAERP Fc1cccc2c1C[N@H+](C[C@H]1CC3(C[NH2+]C3)CO1)CC2 ZINC000923372694 678990811 /nfs/dbraw/zinc/99/08/11/678990811.db2.gz JAJRTOFJYIAIFP-CYBMUJFWSA-N 2 0 276.355 1.562 10 0 CDAERP [NH3+][C@H](CC(=O)NC1CC([NH+]2CCCCC2)C1)C1CC1 ZINC000831959875 679001857 /nfs/dbraw/zinc/00/18/57/679001857.db2.gz AFLKDVADQBCPBC-JXQTWKCFSA-N 2 0 265.401 1.247 10 0 CDAERP COCC(COC)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000395414390 679011452 /nfs/dbraw/zinc/01/14/52/679011452.db2.gz WULKDWWXVVFYEG-OCCSQVGLSA-N 2 0 256.390 1.112 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)CCCCC[NH3+])cc1 ZINC000832815012 679018748 /nfs/dbraw/zinc/01/87/48/679018748.db2.gz KXMLZVQAOWCFII-LBPRGKRZSA-N 2 0 263.385 1.842 10 0 CDAERP FC(F)OCC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000851739513 679019082 /nfs/dbraw/zinc/01/90/82/679019082.db2.gz CNTGAULRTITAEW-UHFFFAOYSA-N 2 0 292.370 1.660 10 0 CDAERP Cc1cncc(CC[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)n1 ZINC000925704165 679019252 /nfs/dbraw/zinc/01/92/52/679019252.db2.gz BMGWPEKSQSPRRA-GXTWGEPZSA-N 2 0 262.401 1.823 10 0 CDAERP COCCNCC[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000925699683 679020535 /nfs/dbraw/zinc/02/05/35/679020535.db2.gz PKALINGAYKBUBY-MELADBBJSA-N 2 0 256.390 1.017 10 0 CDAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CCCCCF)CC2 ZINC000923449769 679042786 /nfs/dbraw/zinc/04/27/86/679042786.db2.gz BYNLMTURTWZASY-ZDUSSCGKSA-N 2 0 258.381 1.956 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCCCCS(C)(=O)=O)C1 ZINC000925643884 679044980 /nfs/dbraw/zinc/04/49/80/679044980.db2.gz LTZPLZZIFAORES-CHWSQXEVSA-N 2 0 290.473 1.697 10 0 CDAERP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000870993735 679067606 /nfs/dbraw/zinc/06/76/06/679067606.db2.gz LLHILIUHXJLTHC-SLEUVZQESA-N 2 0 267.417 1.208 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2)C[C@H]1CC[NH3+] ZINC000723890101 679102558 /nfs/dbraw/zinc/10/25/58/679102558.db2.gz FIGRJDUFRCOXJS-CHWSQXEVSA-N 2 0 261.369 1.542 10 0 CDAERP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000720905935 679120998 /nfs/dbraw/zinc/12/09/98/679120998.db2.gz HDJPAOMIYRTXNX-NHIYQJMISA-N 2 0 277.412 1.071 10 0 CDAERP COCCOC[C@@H]1CC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923316041 679125967 /nfs/dbraw/zinc/12/59/67/679125967.db2.gz DOHDNFZKFCDXSS-IFFAKLHKSA-N 2 0 296.455 1.892 10 0 CDAERP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000870991282 679144812 /nfs/dbraw/zinc/14/48/12/679144812.db2.gz DLFBLRYHNFHERF-COPLHBTASA-N 2 0 255.406 1.193 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000851677837 679158877 /nfs/dbraw/zinc/15/88/77/679158877.db2.gz XISHLKRWQUMYTK-HOCLYGCPSA-N 2 0 294.443 1.256 10 0 CDAERP C[C@H]([NH2+][C@@H]1CCCN2CCSC[C@@H]12)[C@@H]1CC[NH2+]C1 ZINC000720484770 679161762 /nfs/dbraw/zinc/16/17/62/679161762.db2.gz RLKPOTGOXSTSBS-DGAVXFQQSA-N 2 0 269.458 1.154 10 0 CDAERP CCN1CC[NH+](CCCC[NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925547399 679173515 /nfs/dbraw/zinc/17/35/15/679173515.db2.gz UQGVSAIVTAJRNF-INIZCTEOSA-N 3 0 294.487 1.278 10 0 CDAERP C[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)C[C@H]1CC[NH3+] ZINC000723899567 679173966 /nfs/dbraw/zinc/17/39/66/679173966.db2.gz FCDXVFPKUBBLBE-OPRDCNLKSA-N 2 0 254.296 1.216 10 0 CDAERP [NH3+]CCCCCC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000846221130 679187718 /nfs/dbraw/zinc/18/77/18/679187718.db2.gz SUOKGUFIARHTHF-LSDHHAIUSA-N 3 0 253.434 1.970 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCO1 ZINC000925627846 679208614 /nfs/dbraw/zinc/20/86/14/679208614.db2.gz AEKYCPVXEMFXRK-XHJNMGKDSA-N 2 0 252.402 1.920 10 0 CDAERP COC/C(C)=C\CN1CCC(CO)([NH2+]C(C)C)CC1 ZINC000930614454 679222747 /nfs/dbraw/zinc/22/27/47/679222747.db2.gz ZBQDJUGLLPBSRF-RZNTYIFUSA-N 2 0 270.417 1.404 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)C=C1CC[NH2+]CC1 ZINC000852883577 679222764 /nfs/dbraw/zinc/22/27/64/679222764.db2.gz ZUTXQSCGVIQSJD-UHFFFAOYSA-N 2 0 267.417 1.342 10 0 CDAERP C[C@H]1[C@H](NC(=O)NC2CCC([NH+](C)C)CC2)CC[N@@H+]1C ZINC000922931373 679352628 /nfs/dbraw/zinc/35/26/28/679352628.db2.gz QUXVJRKAZKWWOR-GFJIZPEISA-N 2 0 282.432 1.251 10 0 CDAERP CCC[C@@H](CC)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925859194 679379818 /nfs/dbraw/zinc/37/98/18/679379818.db2.gz WFBCSUVGNVQNTB-CHWSQXEVSA-N 2 0 268.401 1.840 10 0 CDAERP COC(=O)CC1(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)CC1 ZINC000923492295 679382685 /nfs/dbraw/zinc/38/26/85/679382685.db2.gz BIZIZYIWAHEQGV-VXGBXAGGSA-N 2 0 254.374 1.246 10 0 CDAERP COCC[N@H+](C)CCCC1CC[NH+](C[C@H](O)C2CC2)CC1 ZINC000838909957 679425373 /nfs/dbraw/zinc/42/53/73/679425373.db2.gz XKAGURXMOSSZTK-KRWDZBQOSA-N 2 0 298.471 1.828 10 0 CDAERP CC1(C)C[C@@H]([NH2+][C@@H]2CCc3nc[nH]c3C2)C[C@@H]([NH3+])C1 ZINC000925669593 679428402 /nfs/dbraw/zinc/42/84/02/679428402.db2.gz VXIZDZRMIOPQRX-UTUOFQBUSA-N 2 0 262.401 1.763 10 0 CDAERP C[NH+](C)C[C@@H]1CN(C(=O)c2cccs2)C[C@H]1C[NH+](C)C ZINC000705837485 679429180 /nfs/dbraw/zinc/42/91/80/679429180.db2.gz GZGIODSSHFSBGT-CHWSQXEVSA-N 2 0 295.452 1.560 10 0 CDAERP C[C@H]1C[N@H+](Cc2cc(=O)n3ccccc3n2)CC[C@H]1C[NH3+] ZINC000923502604 679434295 /nfs/dbraw/zinc/43/42/95/679434295.db2.gz CKQQJLMMDJUFCN-STQMWFEESA-N 2 0 286.379 1.111 10 0 CDAERP CCOCC[C@H](O)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000923390870 679453845 /nfs/dbraw/zinc/45/38/45/679453845.db2.gz WPMMNCRYKSEZQQ-CVEARBPZSA-N 2 0 284.444 1.486 10 0 CDAERP C(CC1C[NH2+]C1)c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000876500948 679502166 /nfs/dbraw/zinc/50/21/66/679502166.db2.gz WYIFFYCZNLIYLW-YOGCLGLASA-N 2 0 262.357 1.220 10 0 CDAERP C[N@@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC000816955077 679521510 /nfs/dbraw/zinc/52/15/10/679521510.db2.gz SOBKKGUUMUMAOW-LSDHHAIUSA-N 2 0 279.428 1.415 10 0 CDAERP CO[C@H](C[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)C1CCC1 ZINC000872148357 679563063 /nfs/dbraw/zinc/56/30/63/679563063.db2.gz CFSQMDXYAQOOGD-SDDRHHMPSA-N 2 0 280.334 1.871 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)C[C@H](C)O1 ZINC000930904061 679572885 /nfs/dbraw/zinc/57/28/85/679572885.db2.gz QMAXWEVBJUSIMV-JJXSEGSLSA-N 2 0 284.444 1.579 10 0 CDAERP [NH3+]CCCCCCC[N@@H+]1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000872146597 679580762 /nfs/dbraw/zinc/58/07/62/679580762.db2.gz SIIINDJFNRGAOY-KGLIPLIRSA-N 2 0 288.457 1.262 10 0 CDAERP CCN1CCO[C@@H](CNC(=[NH2+])Nc2ccccc2)C1 ZINC000227236636 679581958 /nfs/dbraw/zinc/58/19/58/679581958.db2.gz XLPANQQVYWQWLD-ZDUSSCGKSA-N 2 0 262.357 1.344 10 0 CDAERP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000925777456 679582621 /nfs/dbraw/zinc/58/26/21/679582621.db2.gz PAGGFJBMLHIBPL-GRYCIOLGSA-N 2 0 262.344 1.778 10 0 CDAERP CC(=O)NCCCCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000930575782 679602931 /nfs/dbraw/zinc/60/29/31/679602931.db2.gz DZHSDXUSWLRECS-INIZCTEOSA-N 2 0 281.444 1.711 10 0 CDAERP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C=C1CC[NH2+]CC1 ZINC000852885244 679611643 /nfs/dbraw/zinc/61/16/43/679611643.db2.gz TXLZWZXXCXSDCC-CQSZACIVSA-N 2 0 265.401 1.095 10 0 CDAERP CCC(CC)[C@@H](CNC(=[NH2+])N1CCO[C@@H](C)C1)[NH+](C)C ZINC000848984291 679627329 /nfs/dbraw/zinc/62/73/29/679627329.db2.gz ILSSXOHXRYGSCA-GXTWGEPZSA-N 2 0 284.448 1.598 10 0 CDAERP NC(=O)c1ccc(CC[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000866660380 679632164 /nfs/dbraw/zinc/63/21/64/679632164.db2.gz HCYLBGQNLUJTMB-HRCADAONSA-N 2 0 287.407 1.387 10 0 CDAERP C[C@@H]1CN(Cc2nnnn2-c2ccccc2)CC[C@@H]1C[NH3+] ZINC000923499179 679636291 /nfs/dbraw/zinc/63/62/91/679636291.db2.gz KZRJRBMZRVPRCR-CHWSQXEVSA-N 2 0 286.383 1.079 10 0 CDAERP CCn1ncc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)n1 ZINC000858444288 679641509 /nfs/dbraw/zinc/64/15/09/679641509.db2.gz UITJHELIZSTUDH-LLVKDONJSA-N 2 0 251.378 1.118 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@H]2CCCC23CCC3)CC1 ZINC000925816791 679650211 /nfs/dbraw/zinc/65/02/11/679650211.db2.gz IUSAXBZAJHREFV-AWEZNQCLSA-N 2 0 251.418 1.722 10 0 CDAERP C[C@@H](O)C[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717922290 679650756 /nfs/dbraw/zinc/65/07/56/679650756.db2.gz YHZQDZBJSXCHMA-OAHLLOKOSA-N 2 0 292.423 1.374 10 0 CDAERP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCC2(OC)OC)CC1 ZINC000924658133 679654477 /nfs/dbraw/zinc/65/44/77/679654477.db2.gz GMISOMPIVYFLBP-OAHLLOKOSA-N 2 0 299.459 1.145 10 0 CDAERP C([C@@H]1C[C@@H]2COC[C@@H]2O1)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001772537127 1158797836 /nfs/dbraw/zinc/79/78/36/1158797836.db2.gz UNZXFQJKVSJCJB-ILXRZTDVSA-N 2 0 280.412 1.256 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@@H]1CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001691054932 1158845331 /nfs/dbraw/zinc/84/53/31/1158845331.db2.gz DRPMXKKCTMIJER-OAHLLOKOSA-N 2 0 293.455 1.827 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CCF)C1 ZINC001690405516 1158488884 /nfs/dbraw/zinc/48/88/84/1158488884.db2.gz LIWUZOHJJUAPGG-LSDHHAIUSA-N 2 0 299.434 1.657 10 0 CDAERP CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]C/C=C/Cl)[NH+](C)C ZINC001270293103 1160100712 /nfs/dbraw/zinc/10/07/12/1160100712.db2.gz GJMUQNMEBZFGFG-DZTBXEGKSA-N 2 0 287.835 1.660 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]C(C)C ZINC001674196509 1161389795 /nfs/dbraw/zinc/38/97/95/1161389795.db2.gz KEUQYRRZPOPSKP-UONOGXRCSA-N 2 0 269.433 1.754 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC001633949630 1166460207 /nfs/dbraw/zinc/46/02/07/1166460207.db2.gz KMAUAOBCCMOXIK-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP CCCN(CC[NH+]1CCCC1)C(=O)[C@H](C)CC[NH+](C)C ZINC001467903423 1167752578 /nfs/dbraw/zinc/75/25/78/1167752578.db2.gz NNKVWNKXLDYRTB-OAHLLOKOSA-N 2 0 283.460 1.909 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH2+]CCF)C2)CC[N@@H+]1C ZINC001566893351 1168458920 /nfs/dbraw/zinc/45/89/20/1168458920.db2.gz FVQVKBVJTYXXOV-HZSPNIEDSA-N 2 0 285.407 1.124 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)CC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001567585245 1168873322 /nfs/dbraw/zinc/87/33/22/1168873322.db2.gz GWUGPWBOFFJHAL-OWCLPIDISA-N 2 0 295.471 1.812 10 0 CDAERP CCOCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001567764062 1168959480 /nfs/dbraw/zinc/95/94/80/1168959480.db2.gz AWYCWWXREDQOCZ-CQSZACIVSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)OCCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001567883261 1169039552 /nfs/dbraw/zinc/03/95/52/1169039552.db2.gz PHIDFYIIHMUKCR-HNNXBMFYSA-N 2 0 297.443 1.088 10 0 CDAERP CCC(C)(C)[NH+]1CCN(C(=O)[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC001649872600 1169454419 /nfs/dbraw/zinc/45/44/19/1169454419.db2.gz PQUVFOYJPCZPRP-UONOGXRCSA-N 2 0 281.444 1.837 10 0 CDAERP CCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1Cc2cncn2C1 ZINC001649917062 1169496736 /nfs/dbraw/zinc/49/67/36/1169496736.db2.gz OILBXDXLZWXRFS-GXTWGEPZSA-N 2 0 276.384 1.189 10 0 CDAERP COCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001569061226 1169625371 /nfs/dbraw/zinc/62/53/71/1169625371.db2.gz BLDVEDXIAYXGIG-DZGCQCFKSA-N 2 0 297.443 1.134 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001569383096 1169836226 /nfs/dbraw/zinc/83/62/26/1169836226.db2.gz KSEOKHHKCOABOQ-ABCZVMIZSA-N 2 0 279.428 1.629 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CCC2CC2)C1 ZINC001569851384 1170017963 /nfs/dbraw/zinc/01/79/63/1170017963.db2.gz VDELBOKTKICDIR-ZBFHGGJFSA-N 2 0 295.471 1.812 10 0 CDAERP CCCC[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001569879108 1170025580 /nfs/dbraw/zinc/02/55/80/1170025580.db2.gz RKZZXTGVFZHFHK-OKILXGFUSA-N 2 0 267.417 1.128 10 0 CDAERP CCCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001570611101 1170210896 /nfs/dbraw/zinc/21/08/96/1170210896.db2.gz OIEBJWNWBKFESL-QWHCGFSZSA-N 2 0 269.433 1.754 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001571486051 1170451080 /nfs/dbraw/zinc/45/10/80/1170451080.db2.gz ZEEHKFOENFXLQH-OLZOCXBDSA-N 2 0 255.406 1.317 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)CN2CCCC2)CC[N@@H+]1CCCOC ZINC001656759492 1171872382 /nfs/dbraw/zinc/87/23/82/1171872382.db2.gz FYIAAGGXHAXXLB-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001661843002 1172454788 /nfs/dbraw/zinc/45/47/88/1172454788.db2.gz YDLSZSLAMILIMX-CQSZACIVSA-N 2 0 269.433 1.565 10 0 CDAERP CC/C=C/CC[N@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001663267395 1172664196 /nfs/dbraw/zinc/66/41/96/1172664196.db2.gz ZWBJDYDVOKFLHG-AATRIKPKSA-N 2 0 281.444 1.733 10 0 CDAERP CC(C)[C@H](C(=O)N(C)CC[NH2+]Cc1ccccc1)[NH+](C)C ZINC001664170087 1172819713 /nfs/dbraw/zinc/81/97/13/1172819713.db2.gz YVXMVCUFQCHJOD-MRXNPFEDSA-N 2 0 291.439 1.821 10 0 CDAERP C[C@@H](C(=O)N(C)CC[NH2+]CCCF)[NH+]1CCCCCC1 ZINC001664226739 1172827396 /nfs/dbraw/zinc/82/73/96/1172827396.db2.gz FFONFUVKISQEEM-AWEZNQCLSA-N 2 0 287.423 1.659 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC001584968304 1172867732 /nfs/dbraw/zinc/86/77/32/1172867732.db2.gz RGMHMJNNWLQHMI-JSGCOSHPSA-N 2 0 267.417 1.127 10 0 CDAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]C/C=C\Cl ZINC001669289192 1173531474 /nfs/dbraw/zinc/53/14/74/1173531474.db2.gz SLMYCJKMMTVSKC-WFMXKNRHSA-N 2 0 287.835 1.706 10 0 CDAERP CCCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001673947128 1173901840 /nfs/dbraw/zinc/90/18/40/1173901840.db2.gz YJLGQADFDWMNAY-AWEZNQCLSA-N 2 0 281.444 1.851 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C)C1C[NH+](CC=C(C)C)C1)[NH+](C)C ZINC001675360236 1174106537 /nfs/dbraw/zinc/10/65/37/1174106537.db2.gz VLZKHXSKAIOZRW-ZFWWWQNUSA-N 2 0 281.444 1.729 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CCCF ZINC001690881073 1175599268 /nfs/dbraw/zinc/59/92/68/1175599268.db2.gz IJZXGKODOKRJSD-KGLIPLIRSA-N 2 0 287.423 1.705 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCCC[C@H]1CCC[NH+]1CCF ZINC001690919067 1175607903 /nfs/dbraw/zinc/60/79/03/1175607903.db2.gz BOYFLPIUEAHIBX-AWEZNQCLSA-N 2 0 287.423 1.657 10 0 CDAERP Cc1nc[nH]c1CC(=O)N(C)CCOCC[N@@H+](C)C(C)C ZINC001692309718 1175733904 /nfs/dbraw/zinc/73/39/04/1175733904.db2.gz IJQXWYZGPMFUQK-UHFFFAOYSA-N 2 0 296.415 1.076 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001698572509 1175849338 /nfs/dbraw/zinc/84/93/38/1175849338.db2.gz HSLUFYKLFNZRGV-OAHLLOKOSA-N 2 0 283.460 1.907 10 0 CDAERP CCCC[NH2+][C@H](CC)CNC(=O)C1([NH+](C)C)CCC1 ZINC001698599590 1175864999 /nfs/dbraw/zinc/86/49/99/1175864999.db2.gz FSPHIUJDJZGFMS-CYBMUJFWSA-N 2 0 269.433 1.755 10 0 CDAERP CC(C)=CC[NH2+]C[C@@](C)(NC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001698649270 1175886908 /nfs/dbraw/zinc/88/69/08/1175886908.db2.gz OGKQXIANAXCMBN-NVXWUHKLSA-N 2 0 293.455 1.921 10 0 CDAERP CC[NH2+]CC[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001698919110 1175985256 /nfs/dbraw/zinc/98/52/56/1175985256.db2.gz WIOBQCVHAGDHQF-CYBMUJFWSA-N 2 0 255.406 1.319 10 0 CDAERP CC[N@H+](C)CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001698990611 1176018566 /nfs/dbraw/zinc/01/85/66/1176018566.db2.gz CLTPNSMOSRORSU-KBPBESRZSA-N 2 0 267.417 1.413 10 0 CDAERP C[NH+](C)C1(C(=O)NC/C=C\C[NH2+]CC2CCC2)CCC1 ZINC001699258731 1176183803 /nfs/dbraw/zinc/18/38/03/1176183803.db2.gz BILKGKWMEHQROR-ARJAWSKDSA-N 2 0 279.428 1.533 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001699375964 1176335417 /nfs/dbraw/zinc/33/54/17/1176335417.db2.gz QKQGCDSIFOWARX-RDBSUJKOSA-N 2 0 269.433 1.467 10 0 CDAERP C[C@@H]1[C@H](C(=O)N[C@H](C[NH2+]C/C=C\Cl)C2CC2)CC[N@@H+]1C ZINC001699576409 1176479873 /nfs/dbraw/zinc/47/98/73/1176479873.db2.gz ODHIXOFKSMPTAZ-GRKXEQQNSA-N 2 0 299.846 1.564 10 0 CDAERP CC(C)OCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H](C)C1 ZINC001699736142 1176597039 /nfs/dbraw/zinc/59/70/39/1176597039.db2.gz HJQKBOIOWGCIDC-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@@]1(C)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001699857683 1176659507 /nfs/dbraw/zinc/65/95/07/1176659507.db2.gz UZADTRIBWGDGAH-GOEBONIOSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CCF)C1 ZINC001700063263 1176736911 /nfs/dbraw/zinc/73/69/11/1176736911.db2.gz YVTDIBHMFFDTAQ-CABCVRRESA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001700086583 1176742939 /nfs/dbraw/zinc/74/29/39/1176742939.db2.gz BMVHWGCZNVWZDY-UONOGXRCSA-N 2 0 267.417 1.175 10 0 CDAERP CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001700475499 1176964158 /nfs/dbraw/zinc/96/41/58/1176964158.db2.gz BKPBMUNZYUAAJM-XQQFMLRXSA-N 2 0 255.406 1.173 10 0 CDAERP CN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC([NH2+]CCCF)C1 ZINC001701025579 1177244941 /nfs/dbraw/zinc/24/49/41/1177244941.db2.gz XARBUDSTHGCRQA-IYXRBSQSSA-N 2 0 285.407 1.267 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCOC ZINC001707167705 1177961112 /nfs/dbraw/zinc/96/11/12/1177961112.db2.gz NBYJXCRKPWBPJT-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP COCC[N@H+](C)CCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001712982930 1178285232 /nfs/dbraw/zinc/28/52/32/1178285232.db2.gz TZEWIVBWPLWJBT-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP CC[N@H+](C)CCCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001712982665 1178285318 /nfs/dbraw/zinc/28/53/18/1178285318.db2.gz JHMDLNHLVAXBDU-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP CCC[N@H+](C)CCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001712982703 1178286079 /nfs/dbraw/zinc/28/60/79/1178286079.db2.gz OVLQVMPISUXNNZ-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC1CCC1 ZINC001713013231 1178302732 /nfs/dbraw/zinc/30/27/32/1178302732.db2.gz PXUWRZWPPDCNFK-GDBMZVCRSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[NH2+][C@H]1C[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001713173325 1178412175 /nfs/dbraw/zinc/41/21/75/1178412175.db2.gz WLWFHGHKXRLLGM-HDJSIYSDSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001713344904 1178513231 /nfs/dbraw/zinc/51/32/31/1178513231.db2.gz ZJEXRANDVJBJIU-KGLIPLIRSA-N 2 0 299.434 1.657 10 0 CDAERP CCCC[NH2+]C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001713361338 1178521380 /nfs/dbraw/zinc/52/13/80/1178521380.db2.gz YTWWHQJCVHONSR-CQSZACIVSA-N 2 0 279.428 1.320 10 0 CDAERP C[NH+](C)CCCCC(=O)N[C@H]1CCC[C@@H]([NH2+]CCF)C1 ZINC001713382796 1178529525 /nfs/dbraw/zinc/52/95/25/1178529525.db2.gz UIQOWYJVILJSSX-KGLIPLIRSA-N 2 0 287.423 1.705 10 0 CDAERP CC(C)[NH2+][C@@H](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001713420338 1178551218 /nfs/dbraw/zinc/55/12/18/1178551218.db2.gz RSWGQAZXDAFFMV-QWHCGFSZSA-N 2 0 255.406 1.221 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001713540888 1178634852 /nfs/dbraw/zinc/63/48/52/1178634852.db2.gz DDILCVYJRFOXLB-QDLOVBKTSA-N 2 0 293.455 1.877 10 0 CDAERP CC[C@H](F)C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001713776094 1178748153 /nfs/dbraw/zinc/74/81/53/1178748153.db2.gz YZZXKYNITIOLGZ-KGLIPLIRSA-N 2 0 299.434 1.657 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]CCCF)C1CC1 ZINC001713886454 1178817153 /nfs/dbraw/zinc/81/71/53/1178817153.db2.gz UXECAHIKRWCBAI-LSDHHAIUSA-N 2 0 299.434 1.705 10 0 CDAERP CC/C=C/CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C(C)C ZINC001714179298 1179004623 /nfs/dbraw/zinc/00/46/23/1179004623.db2.gz MTZMMYMVSAXTDI-BFKJXESTSA-N 2 0 293.455 1.729 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N1CCC[C@@H]1C[NH2+]CCF ZINC001714336228 1179091687 /nfs/dbraw/zinc/09/16/87/1179091687.db2.gz ABWXZSLLAAWUQI-OLZOCXBDSA-N 2 0 291.386 1.216 10 0 CDAERP CC[C@@H](F)C[NH2+]CCN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001714713581 1179353890 /nfs/dbraw/zinc/35/38/90/1179353890.db2.gz BQXGBTCMRDGCME-GFCCVEGCSA-N 2 0 273.396 1.267 10 0 CDAERP CC(C)OCC[NH2+]C[C@@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001714746702 1179372195 /nfs/dbraw/zinc/37/21/95/1179372195.db2.gz LOOWBECFEGMITC-CQSZACIVSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)C[NH+]1CC(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001714980207 1179487925 /nfs/dbraw/zinc/48/79/25/1179487925.db2.gz BDCXSDFSMDAQMN-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001714991116 1179494220 /nfs/dbraw/zinc/49/42/20/1179494220.db2.gz YFKPRLCGAORYHU-GJZGRUSLSA-N 2 0 281.444 1.804 10 0 CDAERP C[C@@](C[NH2+]CCF)(NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001715110726 1179555350 /nfs/dbraw/zinc/55/53/50/1179555350.db2.gz MZPDOAKLRNZNEB-ZBFHGGJFSA-N 2 0 297.418 1.172 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]C/C=C\Cl ZINC001715207905 1179576487 /nfs/dbraw/zinc/57/64/87/1179576487.db2.gz IVERWXVXVXFPPE-ACOKAEEESA-N 2 0 285.819 1.414 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)CC[NH2+]CCF)CC1 ZINC001715701316 1179769138 /nfs/dbraw/zinc/76/91/38/1179769138.db2.gz OKHWTILMNSDVCH-ZDUSSCGKSA-N 2 0 287.423 1.561 10 0 CDAERP CC(C)C[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001715729018 1179782201 /nfs/dbraw/zinc/78/22/01/1179782201.db2.gz LGYMZQHSBZRPIX-ZIAGYGMSSA-N 2 0 269.433 1.325 10 0 CDAERP CCN(CC[NH2+]Cc1cncs1)C(=O)C[N@H+](C)C(C)C ZINC001715776272 1179800874 /nfs/dbraw/zinc/80/08/74/1179800874.db2.gz XIKCPDWZXLWUGJ-UHFFFAOYSA-N 2 0 298.456 1.421 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccon1)[NH+](C)C ZINC001716189168 1180089358 /nfs/dbraw/zinc/08/93/58/1180089358.db2.gz UUUXDDZAHUUTON-OCCSQVGLSA-N 2 0 296.415 1.245 10 0 CDAERP CCN(CC[NH2+]CCOC)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001716248758 1180118879 /nfs/dbraw/zinc/11/88/79/1180118879.db2.gz KCYZTUPIPXFPQE-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001716485064 1180244937 /nfs/dbraw/zinc/24/49/37/1180244937.db2.gz NIVKRFFASODFAS-ZIAGYGMSSA-N 2 0 269.433 1.563 10 0 CDAERP CC[NH2+]CC[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001717111093 1180533105 /nfs/dbraw/zinc/53/31/05/1180533105.db2.gz LRMLEELBLVNXEU-OAHLLOKOSA-N 2 0 281.444 1.711 10 0 CDAERP CCOCCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001717293383 1180608315 /nfs/dbraw/zinc/60/83/15/1180608315.db2.gz LCUBTQNRZDGBMN-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCCOC)[C@@H](C)C1 ZINC001717335246 1180620289 /nfs/dbraw/zinc/62/02/89/1180620289.db2.gz GWQMNFMVWDECDT-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCCF)[C@H]1C ZINC001717805866 1180865523 /nfs/dbraw/zinc/86/55/23/1180865523.db2.gz PWYHERQXSAXQFK-OLZOCXBDSA-N 2 0 273.396 1.265 10 0 CDAERP CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1CC ZINC001723388242 1181545560 /nfs/dbraw/zinc/54/55/60/1181545560.db2.gz CEPLFYWQQLLBAD-KGLIPLIRSA-N 2 0 269.433 1.563 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001723523839 1181582579 /nfs/dbraw/zinc/58/25/79/1181582579.db2.gz NNGIAHBCUUNDLP-AWEZNQCLSA-N 2 0 281.444 1.899 10 0 CDAERP C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C[NH2+]CCF ZINC001724609815 1181704133 /nfs/dbraw/zinc/70/41/33/1181704133.db2.gz SIFYBDDGMSAMCR-GJZGRUSLSA-N 2 0 299.434 1.516 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NC2(C[NH2+]CCCF)CCCCC2)C1 ZINC001725229792 1181928600 /nfs/dbraw/zinc/92/86/00/1181928600.db2.gz QPFYDWFRLAOXER-CQSZACIVSA-N 2 0 299.434 1.706 10 0 CDAERP CCCCC[NH+]1CC([C@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001725264732 1181945261 /nfs/dbraw/zinc/94/52/61/1181945261.db2.gz LQQHPIRFENNUNM-CABCVRRESA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001725370482 1181977696 /nfs/dbraw/zinc/97/76/96/1181977696.db2.gz YOVSWRYUPQMPJL-SHTZXODSSA-N 2 0 281.444 1.777 10 0 CDAERP CC(C)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001725517158 1182033472 /nfs/dbraw/zinc/03/34/72/1182033472.db2.gz GENITYPFIGOAGK-CHWSQXEVSA-N 2 0 255.406 1.031 10 0 CDAERP CCC(CC)C[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001731636464 1182493790 /nfs/dbraw/zinc/49/37/90/1182493790.db2.gz DIZCEGPBEVBGIJ-JSGCOSHPSA-N 2 0 269.433 1.469 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001731669808 1182511076 /nfs/dbraw/zinc/51/10/76/1182511076.db2.gz WJTOMPWPJSVGEU-CYBMUJFWSA-N 2 0 255.406 1.032 10 0 CDAERP CC(C)CC[N@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001731795480 1182587231 /nfs/dbraw/zinc/58/72/31/1182587231.db2.gz RCYQHCGCJLDQSN-UHFFFAOYSA-N 2 0 255.406 1.176 10 0 CDAERP Cc1ncc(C[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C)o1 ZINC001731920666 1182678618 /nfs/dbraw/zinc/67/86/18/1182678618.db2.gz RVSIWTXIYCQHJC-AWEZNQCLSA-N 2 0 296.415 1.117 10 0 CDAERP CC(C)=CC[NH2+]CCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001731952546 1182697892 /nfs/dbraw/zinc/69/78/92/1182697892.db2.gz QOMZWFVENRVFNT-CQSZACIVSA-N 2 0 267.417 1.342 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH2+]CCCF ZINC001732198181 1182851019 /nfs/dbraw/zinc/85/10/19/1182851019.db2.gz FYNAEGVMSVMUDY-HZSPNIEDSA-N 2 0 287.423 1.561 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCF)C1CCCCC1 ZINC001732475321 1182982557 /nfs/dbraw/zinc/98/25/57/1182982557.db2.gz LFZZRJRAKVUVPV-CABCVRRESA-N 2 0 299.434 1.705 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCCOC)[C@H](C)C1 ZINC001732495049 1182989991 /nfs/dbraw/zinc/98/99/91/1182989991.db2.gz LCFRPEVSSQUXNH-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP CCCCC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001732570921 1183015332 /nfs/dbraw/zinc/01/53/32/1183015332.db2.gz SWQBGUUUVYLYQN-CABCVRRESA-N 2 0 283.460 1.859 10 0 CDAERP O=C(N[C@@H]1CCC[C@@H]1C[NH2+]CCCF)C12CC[NH+](CC1)C2 ZINC001732632728 1183057198 /nfs/dbraw/zinc/05/71/98/1183057198.db2.gz YTRZAIWTIIWHRH-ZIAGYGMSSA-N 2 0 297.418 1.316 10 0 CDAERP O=C(N[C@H]1CCC[C@@H]1C[NH2+]CCCF)C12CC[NH+](CC1)C2 ZINC001732632726 1183057203 /nfs/dbraw/zinc/05/72/03/1183057203.db2.gz YTRZAIWTIIWHRH-KGLIPLIRSA-N 2 0 297.418 1.316 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC/C=C\C[NH2+]C/C=C/Cl ZINC001732860662 1183162404 /nfs/dbraw/zinc/16/24/04/1183162404.db2.gz PFOKKQDZDXJSRF-KXWJTDNFSA-N 2 0 299.846 1.875 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC/C=C\C[NH2+]CC1CCCC1 ZINC001732943904 1183193707 /nfs/dbraw/zinc/19/37/07/1183193707.db2.gz RNZZWWOBIMCVKF-SREVYHEPSA-N 2 0 281.444 1.779 10 0 CDAERP CC/C=C/CC[NH2+]C[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001732977771 1183214613 /nfs/dbraw/zinc/21/46/13/1183214613.db2.gz IAGHHEQXOBGTLS-MUHKLVGJSA-N 2 0 281.444 1.779 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCCF)C1CC1 ZINC001733169710 1183314667 /nfs/dbraw/zinc/31/46/67/1183314667.db2.gz BPSOJDWQXLOADP-LSDHHAIUSA-N 2 0 299.434 1.703 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCCF)C[C@@H]1C ZINC001733336005 1183400625 /nfs/dbraw/zinc/40/06/25/1183400625.db2.gz POIKJCLBOVNTBE-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001733445670 1183435369 /nfs/dbraw/zinc/43/53/69/1183435369.db2.gz QTLHXTNDOXAZHR-NVXWUHKLSA-N 2 0 295.471 1.812 10 0 CDAERP CC(C)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001734065659 1183645768 /nfs/dbraw/zinc/64/57/68/1183645768.db2.gz NWCGJSHBWHUIIQ-CHWSQXEVSA-N 2 0 255.406 1.031 10 0 CDAERP CC(C)OCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]1C ZINC001734408241 1183766504 /nfs/dbraw/zinc/76/65/04/1183766504.db2.gz NITGKCAZNNPMGX-HUUCEWRRSA-N 2 0 299.459 1.331 10 0 CDAERP CC(C)[NH2+][C@H]1CN(C(=O)CCCC[NH+](C)C)CC1(C)C ZINC001734509198 1183804683 /nfs/dbraw/zinc/80/46/83/1183804683.db2.gz OHKGHGDRLCCWFU-AWEZNQCLSA-N 2 0 283.460 1.953 10 0 CDAERP Cc1n[nH]c(=O)c(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)c1C ZINC001771933846 1186584861 /nfs/dbraw/zinc/58/48/61/1186584861.db2.gz REJNWFMMGMGPKV-NEPJUHHUSA-N 2 0 278.400 1.795 10 0 CDAERP CCN(C(=O)NC[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](CC)C1 ZINC001772430989 1187226715 /nfs/dbraw/zinc/22/67/15/1187226715.db2.gz DRIDTZXAWFRLOR-LSDHHAIUSA-N 2 0 296.459 1.596 10 0 CDAERP CC(C)[N@H+](CCO)CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001691727698 1166551431 /nfs/dbraw/zinc/55/14/31/1166551431.db2.gz VYOJZJPNDCNDDM-HNNXBMFYSA-N 2 0 299.459 1.068 10 0 CDAERP C[NH+](C)C[C@@H]1CCN(C(=O)NCCCC[N@H+](C)C2CC2)C1 ZINC001635961965 1166636255 /nfs/dbraw/zinc/63/62/55/1166636255.db2.gz SIHZRTPJAXPDPO-AWEZNQCLSA-N 2 0 296.459 1.454 10 0 CDAERP O=C(CCCC[NH+]1CCCC1)N1CC[C@@H](C[NH2+]CCF)C1 ZINC001567154835 1168046743 /nfs/dbraw/zinc/04/67/43/1168046743.db2.gz JZDWXLDTXIYZPG-HNNXBMFYSA-N 2 0 299.434 1.660 10 0 CDAERP CC(C)C[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001566850422 1168443262 /nfs/dbraw/zinc/44/32/62/1168443262.db2.gz DEDWCYIDFMBVFB-BETUJISGSA-N 2 0 255.406 1.221 10 0 CDAERP CC(C)CC[N@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001567285538 1168661099 /nfs/dbraw/zinc/66/10/99/1168661099.db2.gz JVTZJWLMNMULCI-UHFFFAOYSA-N 2 0 269.433 1.565 10 0 CDAERP CC/C=C\CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001483735174 913282686 /nfs/dbraw/zinc/28/26/86/913282686.db2.gz PCHQXCNHKWWYAS-JBZXTQMFSA-N 2 0 293.455 1.921 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001266526381 895230669 /nfs/dbraw/zinc/23/06/69/895230669.db2.gz UTJYYZHWBDQPTH-KSLSASGISA-N 2 0 293.455 1.875 10 0 CDAERP C([NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000723645596 896098073 /nfs/dbraw/zinc/09/80/73/896098073.db2.gz HNUONUDHWMJYGU-LXTVHRRPSA-N 2 0 252.402 1.781 10 0 CDAERP C([NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1)C1CC[NH2+]CC1 ZINC000723648982 896099195 /nfs/dbraw/zinc/09/91/95/896099195.db2.gz XRQYJGOLFZNLQK-SOUVJXGZSA-N 2 0 252.402 1.781 10 0 CDAERP CC(C)OCC[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001267022494 896580218 /nfs/dbraw/zinc/58/02/18/896580218.db2.gz JBHGPZZMESGYSH-LSDHHAIUSA-N 2 0 299.459 1.188 10 0 CDAERP CC[C@@H](C(=O)N1CC[C@H](C[NH2+]C/C=C/Cl)C1)[NH+](C)C ZINC001267059376 896658887 /nfs/dbraw/zinc/65/88/87/896658887.db2.gz VYMMCCFDPBTPHM-JOVKLMRISA-N 2 0 287.835 1.517 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001480923171 897079027 /nfs/dbraw/zinc/07/90/27/897079027.db2.gz NCRFKOWJRNKLQX-HUUCEWRRSA-N 2 0 281.444 1.851 10 0 CDAERP CCC[NH2+]CC[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001272617625 914185708 /nfs/dbraw/zinc/18/57/08/914185708.db2.gz YHBHIGSRPOAYNM-CABCVRRESA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)C[NH2+]CCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001267456016 897931570 /nfs/dbraw/zinc/93/15/70/897931570.db2.gz JWRDFSJUIROFSX-GJZGRUSLSA-N 2 0 283.460 1.811 10 0 CDAERP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001176657385 914232632 /nfs/dbraw/zinc/23/26/32/914232632.db2.gz OCHMCCFEBALYOI-JYJNAYRXSA-N 2 0 266.429 1.810 10 0 CDAERP C[NH+](C)[C@@H](CNC(=[NH2+])NC[C@@H]1CCCO1)C1CCCCC1 ZINC000066245338 898255995 /nfs/dbraw/zinc/25/59/95/898255995.db2.gz CECAFDPFECDMLQ-GJZGRUSLSA-N 2 0 296.459 1.580 10 0 CDAERP CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001267563468 898376524 /nfs/dbraw/zinc/37/65/24/898376524.db2.gz ALLBSHQOLAUJQX-KBPBESRZSA-N 2 0 267.417 1.319 10 0 CDAERP CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CC1CCC1)[NH+](C)C ZINC001283700922 898897306 /nfs/dbraw/zinc/89/73/06/898897306.db2.gz APNZUKIFCNJEAE-TZMCWYRMSA-N 2 0 269.433 1.563 10 0 CDAERP CCC[NH+](CCC)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001481151620 898983826 /nfs/dbraw/zinc/98/38/26/898983826.db2.gz MHSTXMLNYKGABK-CQSZACIVSA-N 2 0 269.433 1.566 10 0 CDAERP COCC[N@H+](CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C1CC1 ZINC001481200589 899142520 /nfs/dbraw/zinc/14/25/20/899142520.db2.gz PMXARZMPJDHEMS-KBPBESRZSA-N 2 0 297.443 1.086 10 0 CDAERP CCCCOCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001267737915 899463024 /nfs/dbraw/zinc/46/30/24/899463024.db2.gz IITZXDATENWATA-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267748953 899565247 /nfs/dbraw/zinc/56/52/47/899565247.db2.gz FGCXYUNSZHCZTQ-MJBXVCDLSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001420935555 899817125 /nfs/dbraw/zinc/81/71/25/899817125.db2.gz GQSINAPAIWQZET-OWCLPIDISA-N 2 0 295.471 1.763 10 0 CDAERP C[NH+](C)CCCCC(=O)N[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC001268113937 901323268 /nfs/dbraw/zinc/32/32/68/901323268.db2.gz FXMIBEBLSJEWPY-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)=CC[NH+]1CC(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001481661038 901747795 /nfs/dbraw/zinc/74/77/95/901747795.db2.gz RZKVLPNEGXDTFJ-UHFFFAOYSA-N 2 0 293.455 1.877 10 0 CDAERP CCN(CC[NH2+]Cc1c(C)noc1C)C(=O)CC[NH+](C)C ZINC001268476399 902278596 /nfs/dbraw/zinc/27/85/96/902278596.db2.gz RQSNZDAPNCSZRG-UHFFFAOYSA-N 2 0 296.415 1.181 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NCc2ccc(C[NH2+]CCF)cc2)C1 ZINC001482035004 902515198 /nfs/dbraw/zinc/51/51/98/902515198.db2.gz KDRHBVAUMUNELA-HNNXBMFYSA-N 2 0 293.386 1.314 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+][C@@H](C)COC ZINC001268630434 902845177 /nfs/dbraw/zinc/84/51/77/902845177.db2.gz KWGNITPTXAETTN-MFHOCJEASA-N 2 0 297.443 1.158 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]CC2CC2)CC[N@@H+]1C ZINC001268686678 902962534 /nfs/dbraw/zinc/96/25/34/902962534.db2.gz LUBMWAXIMAUYCY-FPMFFAJLSA-N 2 0 267.417 1.221 10 0 CDAERP CC[C@H](C)C[NH2+]CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001268836212 903169512 /nfs/dbraw/zinc/16/95/12/903169512.db2.gz NJVRIFJOHBJFOJ-AWEZNQCLSA-N 2 0 283.460 1.812 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C1CC1 ZINC001362074686 903172449 /nfs/dbraw/zinc/17/24/49/903172449.db2.gz XBNVZEFCQSXWOC-RRFJBIMHSA-N 2 0 281.444 1.563 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)NCC2([NH2+]CCCF)CC2)C1 ZINC001269474227 903842233 /nfs/dbraw/zinc/84/22/33/903842233.db2.gz ASKYYLAAOHIISM-AWEZNQCLSA-N 2 0 299.434 1.706 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H](C[NH+](C)C)C2)C1 ZINC001362639738 903917743 /nfs/dbraw/zinc/91/77/43/903917743.db2.gz WCISCTZCBKJATN-GJZGRUSLSA-N 2 0 281.444 1.517 10 0 CDAERP C[NH+](C)CCCC(=O)N1CC[C@@H](CC[NH2+]CCF)C1 ZINC001280171970 904390496 /nfs/dbraw/zinc/39/04/96/904390496.db2.gz BJKAMOQSNCOEFO-CYBMUJFWSA-N 2 0 273.396 1.126 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]CCC(C)C)[NH+](C)C ZINC001270164913 904409434 /nfs/dbraw/zinc/40/94/34/904409434.db2.gz GLYAOGZCCQGMGI-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]CC1=CCCCC1 ZINC001270594321 904771175 /nfs/dbraw/zinc/77/11/75/904771175.db2.gz FGLFDWADCRRDIW-GDBMZVCRSA-N 2 0 293.455 1.780 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001482432235 905387673 /nfs/dbraw/zinc/38/76/73/905387673.db2.gz FLOLKLAIKPQUOM-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H](C[NH2+]CCC(C)(C)C)N(C)C(=O)CC[NH+](C)C ZINC001271090868 905635665 /nfs/dbraw/zinc/63/56/65/905635665.db2.gz BUMKFJWBSXOWHU-ZDUSSCGKSA-N 2 0 271.449 1.811 10 0 CDAERP CCC[NH2+][C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C(C)C ZINC001482565142 907145563 /nfs/dbraw/zinc/14/55/63/907145563.db2.gz JBMHJMIEUQXUPL-ZIAGYGMSSA-N 2 0 269.433 1.469 10 0 CDAERP C[C@H](CC[NH2+]CC[C@H](C)F)NC(=O)C1CC[NH+](C)CC1 ZINC001272992629 921339680 /nfs/dbraw/zinc/33/96/80/921339680.db2.gz CNJRLMDAZUMURI-QWHCGFSZSA-N 2 0 287.423 1.561 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001272994070 921352764 /nfs/dbraw/zinc/35/27/64/921352764.db2.gz WMHGQPRMPRQOAF-OAHLLOKOSA-N 2 0 281.444 1.875 10 0 CDAERP CCOCCC[N@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001482606963 907880550 /nfs/dbraw/zinc/88/05/50/907880550.db2.gz ALLJJMMTDIGKMX-HNNXBMFYSA-N 2 0 299.459 1.288 10 0 CDAERP CC(C)=CC[NH2+]C/C=C\CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001483082331 909301799 /nfs/dbraw/zinc/30/17/99/909301799.db2.gz ONYYDIXAYYFRFP-FOSCPCJNSA-N 2 0 279.428 1.556 10 0 CDAERP CC[NH2+]CC[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001568069208 1169130751 /nfs/dbraw/zinc/13/07/51/1169130751.db2.gz BWKXLHTXJAASEJ-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)CC[N@H+](C)C[C@@H](C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001483406687 911069646 /nfs/dbraw/zinc/06/96/46/911069646.db2.gz DWBFAGGMKPANDB-HUUCEWRRSA-N 2 0 283.460 1.811 10 0 CDAERP CCCC[NH2+]CCC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001568091794 1169135042 /nfs/dbraw/zinc/13/50/42/1169135042.db2.gz KMACFCLIQMCQRI-UHFFFAOYSA-N 2 0 283.460 1.957 10 0 CDAERP CCCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001484125230 915450382 /nfs/dbraw/zinc/45/03/82/915450382.db2.gz MPSIMSHYNUFVRN-NVXWUHKLSA-N 2 0 295.471 1.957 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]C/C=C/Cl)C1 ZINC001484512889 915838764 /nfs/dbraw/zinc/83/87/64/915838764.db2.gz YSXPAUBFAOITTB-OWHLZJRQSA-N 2 0 299.846 1.661 10 0 CDAERP CCCCC[NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001484897511 916253833 /nfs/dbraw/zinc/25/38/33/916253833.db2.gz MZIBYLMFBNSXPR-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001273468447 916742350 /nfs/dbraw/zinc/74/23/50/916742350.db2.gz ZKBLOSKWXSEXGZ-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP CC[C@H](C(=O)NC1(C[NH2+]C[C@@H](C)O)CCCCC1)[NH+](C)C ZINC001485449042 916977406 /nfs/dbraw/zinc/97/74/06/916977406.db2.gz DSXJILZGXZBLNO-ZIAGYGMSSA-N 2 0 299.459 1.116 10 0 CDAERP COCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CCCC1 ZINC001568238082 1169193410 /nfs/dbraw/zinc/19/34/10/1169193410.db2.gz UWMJWZBDQDRNRT-CQSZACIVSA-N 2 0 297.443 1.136 10 0 CDAERP C[C@@H](CC[NH2+]CC1CCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001272780606 919266646 /nfs/dbraw/zinc/26/66/46/919266646.db2.gz AYVYDEIWVUEKIQ-GZBFAFLISA-N 2 0 281.444 1.611 10 0 CDAERP CN(CCC[NH2+]CC1CCCC1)C(=O)C[NH+]1CCCC1 ZINC001276386671 936715762 /nfs/dbraw/zinc/71/57/62/936715762.db2.gz JAWDTWKRQBCUBN-UHFFFAOYSA-N 2 0 281.444 1.711 10 0 CDAERP CC(C)CCC[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001568319600 1169243201 /nfs/dbraw/zinc/24/32/01/1169243201.db2.gz QJXMRCVMEFZDFW-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@@H](C(=O)N(CC)CC[NH2+]CC1CC(C)C1)[NH+](C)C ZINC001273611170 922316428 /nfs/dbraw/zinc/31/64/28/922316428.db2.gz UVRRIPAQWRLBPB-NRXISQOPSA-N 2 0 283.460 1.811 10 0 CDAERP COC(=O)N1CCC([NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000689544343 936765822 /nfs/dbraw/zinc/76/58/22/936765822.db2.gz ALMTYUAIUUTCMF-VXGBXAGGSA-N 2 0 267.373 1.077 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001491041883 936845271 /nfs/dbraw/zinc/84/52/71/936845271.db2.gz IQAPMTPMBKSNCV-MELADBBJSA-N 2 0 299.434 1.846 10 0 CDAERP CCN(CC[NH2+]CCC1CC1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001273382255 926572849 /nfs/dbraw/zinc/57/28/49/926572849.db2.gz NMWSFBDYSQOWIE-UKRRQHHQSA-N 2 0 281.444 1.565 10 0 CDAERP COCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001490305156 927093359 /nfs/dbraw/zinc/09/33/59/927093359.db2.gz DNAFIHRIZXQSHZ-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP C[C@@H]1C[C@@H]([N@H+](C)CC[C@H]2COC(C)(C)O2)CCN1C ZINC000851796668 927629193 /nfs/dbraw/zinc/62/91/93/927629193.db2.gz IFTUOIGYCNCGGX-RDBSUJKOSA-N 2 0 270.417 1.943 10 0 CDAERP CCN(C(=O)CC[NH2+]C(C)(C)C)[C@H]1CC[N@H+](C)C1 ZINC000693428161 937244482 /nfs/dbraw/zinc/24/44/82/937244482.db2.gz CJCYHVVBSHJKAA-LBPRGKRZSA-N 2 0 255.406 1.317 10 0 CDAERP C[C@](O)(C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)C(F)(F)F ZINC000698593096 937295704 /nfs/dbraw/zinc/29/57/04/937295704.db2.gz UDHBROHBGGTSRR-VGMNWLOBSA-N 2 0 252.280 1.159 10 0 CDAERP C[N@@H+]1CC[C@H](NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)[C@@H]2CCC[C@@H]21 ZINC000796761385 937312924 /nfs/dbraw/zinc/31/29/24/937312924.db2.gz DXZNYZDYLJNMRM-NRKLIOEPSA-N 2 0 293.455 1.312 10 0 CDAERP O=C(C[NH+]1CCCC1)NC/C=C/C[NH2+]CC1=CCCCC1 ZINC001274578511 931511619 /nfs/dbraw/zinc/51/16/19/931511619.db2.gz JHYKVFHRDAFUCD-SNAWJCMRSA-N 2 0 291.439 1.845 10 0 CDAERP CCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001274644429 931529600 /nfs/dbraw/zinc/52/96/00/931529600.db2.gz QJNHEQWUDJEWAI-CHWSQXEVSA-N 2 0 255.406 1.317 10 0 CDAERP C[C@H](C[NH2+]C/C=C\Cl)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001274791098 931576248 /nfs/dbraw/zinc/57/62/48/931576248.db2.gz AHRPYRFQGLRAMK-FTBGMHHGSA-N 2 0 287.835 1.708 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001275166793 931685497 /nfs/dbraw/zinc/68/54/97/931685497.db2.gz FTGNWFRXAUYPFT-MRXNPFEDSA-N 2 0 293.455 1.971 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001275574096 931887553 /nfs/dbraw/zinc/88/75/53/931887553.db2.gz NZGAPQFTNRKOCJ-CQSZACIVSA-N 2 0 281.444 1.873 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC001412144352 932284918 /nfs/dbraw/zinc/28/49/18/932284918.db2.gz FHMFBCKNNCEKFN-HOCLYGCPSA-N 2 0 281.444 1.519 10 0 CDAERP O=C(CC[N@H+]1CC[C@@H](F)C1)NC1CC[NH+](C2CC2)CC1 ZINC001412385860 932404006 /nfs/dbraw/zinc/40/40/06/932404006.db2.gz QZRMILUAXWLANG-GFCCVEGCSA-N 2 0 283.391 1.163 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH+](C)[C@@H](C(C)C)C2)C1 ZINC001412469287 932441879 /nfs/dbraw/zinc/44/18/79/932441879.db2.gz KXAHIAWXWFZXBT-HZPDHXFCSA-N 2 0 295.471 1.907 10 0 CDAERP CC[C@H](C)C[NH2+]CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001276048344 932471987 /nfs/dbraw/zinc/47/19/87/932471987.db2.gz PXFHFCWXYHRSTI-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H]1C[C@H]2CC[C@@H](C(=O)N(C)CCCC[NH+](C)C)C[N@@H+]2C1 ZINC001147594183 932551310 /nfs/dbraw/zinc/55/13/10/932551310.db2.gz URWYKSCXAJTBLO-BZUAXINKSA-N 2 0 295.471 1.907 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)CC[NH+](C)C)C1 ZINC001412697053 932645367 /nfs/dbraw/zinc/64/53/67/932645367.db2.gz RUJWXBJMOZYWLT-LSDHHAIUSA-N 2 0 283.460 1.668 10 0 CDAERP CC[N@@H+]1CC[C@@H]1C(=O)N(C)CC[C@H]1CCCC[NH+]1C ZINC001148164161 932659106 /nfs/dbraw/zinc/65/91/06/932659106.db2.gz FGAVFWHQKQNRIY-ZIAGYGMSSA-N 2 0 267.417 1.413 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCCOC)C1 ZINC001490826455 932743238 /nfs/dbraw/zinc/74/32/38/932743238.db2.gz RKOFSQCTPPZVMP-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)C1 ZINC001413185023 935934272 /nfs/dbraw/zinc/93/42/72/935934272.db2.gz GHXODJWTUIEFNH-YHUYYLMFSA-N 2 0 293.455 1.850 10 0 CDAERP CN(CCC[NH2+]CCC(F)(F)F)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001276379398 936224649 /nfs/dbraw/zinc/22/46/49/936224649.db2.gz DSIBUDMAIWLEJN-NSHDSACASA-N 2 0 295.349 1.329 10 0 CDAERP Nc1nccc(N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)n1 ZINC000720443805 940365985 /nfs/dbraw/zinc/36/59/85/940365985.db2.gz OKJNJDUAWRQHDQ-UWVGGRQHSA-N 2 0 265.386 1.051 10 0 CDAERP C[NH2+]CCCCC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000720510412 940455564 /nfs/dbraw/zinc/45/55/64/940455564.db2.gz LDWDWLUZQGBBQY-OLZOCXBDSA-N 2 0 285.457 1.072 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]CCCF)C2CCCC2)C1 ZINC001278289674 945338193 /nfs/dbraw/zinc/33/81/93/945338193.db2.gz XSKWOIULXTXWMQ-CABCVRRESA-N 2 0 299.434 1.562 10 0 CDAERP CCN(CC[NH2+]Cc1conc1C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001568730775 1169454133 /nfs/dbraw/zinc/45/41/33/1169454133.db2.gz NPVOEMMODVCYOZ-AWEZNQCLSA-N 2 0 294.399 1.015 10 0 CDAERP Cc1nnc(CC[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)s1 ZINC000405232565 940975989 /nfs/dbraw/zinc/97/59/89/940975989.db2.gz BQOFQLJWOGHHQE-ZJUUUORDSA-N 2 0 252.387 1.249 10 0 CDAERP [NH3+][C@H]1C[C@@H]([NH2+]CCn2cc(Br)cn2)C12CCC2 ZINC000405251782 940976361 /nfs/dbraw/zinc/97/63/61/940976361.db2.gz KFBSLIHNSODNBW-WDEREUQCSA-N 2 0 299.216 1.505 10 0 CDAERP CC(C)[C@H](CN[C@H]1C[C@H]([NH3+])C12CCC2)[NH+]1CCCC1 ZINC000405322544 940980594 /nfs/dbraw/zinc/98/05/94/940980594.db2.gz VNLHCOUDEOZQCM-KKUMJFAQSA-N 2 0 265.445 1.966 10 0 CDAERP CC[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1[NH2+]CCCF ZINC001276772514 941041342 /nfs/dbraw/zinc/04/13/42/941041342.db2.gz OYGJIPJOGPLMKS-CABCVRRESA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)NCC[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001362013432 970775344 /nfs/dbraw/zinc/77/53/44/970775344.db2.gz LQKXZBZXMKQKTD-OAHLLOKOSA-N 2 0 295.471 1.812 10 0 CDAERP CCCCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001276852929 941643990 /nfs/dbraw/zinc/64/39/90/941643990.db2.gz KYYJHTFKQOYTMO-JKSUJKDBSA-N 2 0 293.455 1.709 10 0 CDAERP C[N@H+](CC(=O)N1CC[C@H](CC[NH2+]CC2CC2)C1)C1CCC1 ZINC001280073200 942417075 /nfs/dbraw/zinc/41/70/75/942417075.db2.gz MMHHLTQGAOIJBN-HNNXBMFYSA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)CCC[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001281462005 942579678 /nfs/dbraw/zinc/57/96/78/942579678.db2.gz LYWRSIVMYOTXGH-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)CC[N@@H+]1C ZINC001362126768 970919038 /nfs/dbraw/zinc/91/90/38/970919038.db2.gz PAMSNRVUCSULRN-BYNSBNAKSA-N 2 0 281.444 1.706 10 0 CDAERP COCC[NH2+]C1CCC(N(C)C(=O)CCC[NH+](C)C)CC1 ZINC001282270259 942684346 /nfs/dbraw/zinc/68/43/46/942684346.db2.gz NJNFANATHHQGTE-UHFFFAOYSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H](C[NH2+]CCC3CC3)C2)C1 ZINC001283081017 942818805 /nfs/dbraw/zinc/81/88/05/942818805.db2.gz ZEMADMMBRYGXAN-FVQBIDKESA-N 2 0 293.455 1.613 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@H]1CC[C@H](C[NH2+]CCC2CC2)C1 ZINC001284247876 943129955 /nfs/dbraw/zinc/12/99/55/943129955.db2.gz RJBXRJCYSMBAMC-HOTGVXAUSA-N 2 0 293.455 1.757 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001277621520 943154490 /nfs/dbraw/zinc/15/44/90/943154490.db2.gz BPWXFRDIPFFOFU-HOTGVXAUSA-N 2 0 293.455 1.873 10 0 CDAERP CC[N@H+]1CC=C(CNC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001284927408 943291119 /nfs/dbraw/zinc/29/11/19/943291119.db2.gz CYFQJJNBWZZULD-HNNXBMFYSA-N 2 0 279.428 1.629 10 0 CDAERP CCOCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001277825555 943718291 /nfs/dbraw/zinc/71/82/91/943718291.db2.gz DAIYFPCHCGZIQR-SOUVJXGZSA-N 2 0 299.459 1.190 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC1CC(C)(C)C1 ZINC001568826453 1169501103 /nfs/dbraw/zinc/50/11/03/1169501103.db2.gz BVQJAYLYGPVHPL-XVWMLYKFSA-N 2 0 293.455 1.779 10 0 CDAERP CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001263817114 943986917 /nfs/dbraw/zinc/98/69/17/943986917.db2.gz OPABCOQSYPEKEA-ZIAGYGMSSA-N 2 0 269.433 1.659 10 0 CDAERP CC/C=C\CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001263879108 944017805 /nfs/dbraw/zinc/01/78/05/944017805.db2.gz MUFARGOSKROUNL-PVPAMPSESA-N 2 0 293.455 1.779 10 0 CDAERP CC[NH2+][C@@H]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001264475993 944141374 /nfs/dbraw/zinc/14/13/74/944141374.db2.gz APYYKMCVOLAVTN-QWHCGFSZSA-N 2 0 255.406 1.223 10 0 CDAERP C[N@H+](CCCNC(=O)[C@@]12CC[NH+](C1)CCC2)CC1CCC1 ZINC001265063405 944218686 /nfs/dbraw/zinc/21/86/86/944218686.db2.gz HJNJILMXZJGMQY-KRWDZBQOSA-N 2 0 293.455 1.711 10 0 CDAERP CCOCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001265090232 944225223 /nfs/dbraw/zinc/22/52/23/944225223.db2.gz YCNKJTAQTCCXEJ-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP C[C@H]([NH2+]CCCF)[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001265094728 944226922 /nfs/dbraw/zinc/22/69/22/944226922.db2.gz IXRSYRLGNQQLBH-GJZGRUSLSA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCCF)C1 ZINC001265546521 944424518 /nfs/dbraw/zinc/42/45/18/944424518.db2.gz QBEMTCXXFSEUFD-ZNMIVQPWSA-N 2 0 299.434 1.703 10 0 CDAERP CCCC[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001265777229 944505359 /nfs/dbraw/zinc/50/53/59/944505359.db2.gz IOWFNKQKPOAQKQ-HZSPNIEDSA-N 2 0 269.433 1.611 10 0 CDAERP CC[NH2+][C@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001265792466 944511116 /nfs/dbraw/zinc/51/11/16/944511116.db2.gz OJGBUHBEOKTHDJ-GFCCVEGCSA-N 2 0 269.433 1.754 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001277987638 944522837 /nfs/dbraw/zinc/52/28/37/944522837.db2.gz IPLSUFNHXACKGD-LSDHHAIUSA-N 2 0 281.444 1.731 10 0 CDAERP CC(C)[N@H+](C)CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001265902549 944565012 /nfs/dbraw/zinc/56/50/12/944565012.db2.gz QTUAAPMDSQDXQV-UHFFFAOYSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCF)C1 ZINC001265977147 944612057 /nfs/dbraw/zinc/61/20/57/944612057.db2.gz UXJDLPNIFNTPNM-KGLIPLIRSA-N 2 0 285.407 1.267 10 0 CDAERP CC(C)[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001266006768 944625280 /nfs/dbraw/zinc/62/52/80/944625280.db2.gz PDOKCTUYPPJUJI-UONOGXRCSA-N 2 0 269.433 1.706 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)NCCCCCC[NH3+])CC[N@@H+]1C ZINC001332141122 945594091 /nfs/dbraw/zinc/59/40/91/945594091.db2.gz AXYIYDXPEOABQB-ZIAGYGMSSA-N 2 0 284.448 1.630 10 0 CDAERP COCC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@@H]1C ZINC001278325165 946165334 /nfs/dbraw/zinc/16/53/34/946165334.db2.gz HVDAWZHESQNPHD-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001479240989 971270148 /nfs/dbraw/zinc/27/01/48/971270148.db2.gz MEYKKCNOYVLJBW-HNNXBMFYSA-N 2 0 295.471 1.907 10 0 CDAERP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001362438065 971272591 /nfs/dbraw/zinc/27/25/91/971272591.db2.gz HAFAIAGKQXPVFO-ILXRZTDVSA-N 2 0 297.418 1.506 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)C1 ZINC001362466156 971305232 /nfs/dbraw/zinc/30/52/32/971305232.db2.gz XZQJFIBEMMJVTD-YJNKXOJESA-N 2 0 279.428 1.269 10 0 CDAERP CCN1CC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001362527208 971371816 /nfs/dbraw/zinc/37/18/16/971371816.db2.gz FIIJBMLXTLTOSI-HUUCEWRRSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@@H]1C[N@H+](CC)CCN1C(=O)CC[NH+]1CC[C@H](F)C1 ZINC001362539776 971382767 /nfs/dbraw/zinc/38/27/67/971382767.db2.gz WSYMVILMQDSIEX-UONOGXRCSA-N 2 0 285.407 1.363 10 0 CDAERP CC(C)CC[N@H+](C)CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001479809731 971431202 /nfs/dbraw/zinc/43/12/02/971431202.db2.gz XVUWYTPDMKJJHN-HNNXBMFYSA-N 2 0 283.460 1.812 10 0 CDAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC[C@H](C)F)C1 ZINC001480139356 971598968 /nfs/dbraw/zinc/59/89/68/971598968.db2.gz SHQBVRBNOXBPSQ-ZQDZILKHSA-N 2 0 299.434 1.844 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)CC[NH+]1CC[C@H](F)C1 ZINC001362784189 971618183 /nfs/dbraw/zinc/61/81/83/971618183.db2.gz ZXSGLDUQHINGJS-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@](C)(C[NH2+]CCF)C2)C1 ZINC001278550070 949972703 /nfs/dbraw/zinc/97/27/03/949972703.db2.gz KDBCQTBQDRDPTR-DZGCQCFKSA-N 2 0 285.407 1.126 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCCCO2)C1 ZINC001480238220 971641474 /nfs/dbraw/zinc/64/14/74/971641474.db2.gz PVURVGHOJNYYRN-QLFBSQMISA-N 2 0 297.443 1.133 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H](F)C2)CC1 ZINC001362835615 971655502 /nfs/dbraw/zinc/65/55/02/971655502.db2.gz FUXPCYCLALLMPC-KBPBESRZSA-N 2 0 285.407 1.363 10 0 CDAERP O=C(CC[N@H+]1CC[C@H](F)C1)NC1CC[NH+](C2CCC2)CC1 ZINC001362953810 971757221 /nfs/dbraw/zinc/75/72/21/971757221.db2.gz HXNQTTGGEQSOCG-ZDUSSCGKSA-N 2 0 297.418 1.553 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001316636908 953372199 /nfs/dbraw/zinc/37/21/99/953372199.db2.gz SDYUBTNQTOBIJR-RBSFLKMASA-N 2 0 281.444 1.613 10 0 CDAERP CCCC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001493138433 971954821 /nfs/dbraw/zinc/95/48/21/971954821.db2.gz SPKDEGGDGHCSRC-HUUCEWRRSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001363765074 953762975 /nfs/dbraw/zinc/76/29/75/953762975.db2.gz WBSAQHGUVNHTLQ-CHWSQXEVSA-N 2 0 273.396 1.123 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)CC[NH+](C)C)C1 ZINC001296126127 954813280 /nfs/dbraw/zinc/81/32/80/954813280.db2.gz FRVDOWJHFAHRFH-UONOGXRCSA-N 2 0 269.433 1.563 10 0 CDAERP CC[C@H](O)C[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001364833659 955213012 /nfs/dbraw/zinc/21/30/12/955213012.db2.gz DIMQKFGPAULNJA-AWEZNQCLSA-N 2 0 270.417 1.070 10 0 CDAERP CC/C=C\CC[NH2+][C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001491578363 955296994 /nfs/dbraw/zinc/29/69/94/955296994.db2.gz DFBNEFAECFUATJ-RWCKICOTSA-N 2 0 281.444 1.779 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccsc1 ZINC001491569383 955309822 /nfs/dbraw/zinc/30/98/22/955309822.db2.gz QCOLZNFLHYOUFP-LLVKDONJSA-N 2 0 269.414 1.294 10 0 CDAERP C[C@H]([NH2+]CC1CCC1)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001421520319 955387444 /nfs/dbraw/zinc/38/74/44/955387444.db2.gz GIOGKZSEFVEANG-DZGCQCFKSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1nocc1C)[NH+](C)C ZINC001421762450 955532233 /nfs/dbraw/zinc/53/22/33/955532233.db2.gz ZLKBZWYJKCKADL-SMDDNHRTSA-N 2 0 296.415 1.165 10 0 CDAERP CCC[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001491947894 955543198 /nfs/dbraw/zinc/54/31/98/955543198.db2.gz YZWISUTUZIGLRM-CYBMUJFWSA-N 2 0 255.406 1.271 10 0 CDAERP CN(CCC[NH2+]CC1CCC1)C(=O)C1([NH+](C)C)CCC1 ZINC001569209558 1169721711 /nfs/dbraw/zinc/72/17/11/1169721711.db2.gz GPUYMQMLJBOSJG-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1CCC[N@H+](CC)CC1 ZINC001421820154 955566371 /nfs/dbraw/zinc/56/63/71/955566371.db2.gz AVVNOMQHKRSDRQ-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP CCC1([NH2+]CCF)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001421925509 955655840 /nfs/dbraw/zinc/65/58/40/955655840.db2.gz HRRVKNLKLAUQBW-CQSZACIVSA-N 2 0 299.434 1.801 10 0 CDAERP C[C@H](C[NH2+]C[C@@H]1CCCCO1)N(C)C(=O)C[NH+]1CCCC1 ZINC001421983514 955688557 /nfs/dbraw/zinc/68/85/57/955688557.db2.gz BUPWJYYAAHDFNW-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001329113141 955694554 /nfs/dbraw/zinc/69/45/54/955694554.db2.gz WCKJEUSIJVEVMG-QWHCGFSZSA-N 2 0 269.433 1.467 10 0 CDAERP CCC[NH2+][C@@H](C)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001493846730 972124927 /nfs/dbraw/zinc/12/49/27/972124927.db2.gz JOZBWUMAEFOMNJ-AWEZNQCLSA-N 2 0 293.455 1.709 10 0 CDAERP C[C@H]1CCCC[C@H]1C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC001365312734 955882227 /nfs/dbraw/zinc/88/22/27/955882227.db2.gz DOCQRCAZURJJOS-GJZGRUSLSA-N 2 0 281.444 1.519 10 0 CDAERP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]CC=C(Cl)Cl ZINC001422393438 955980393 /nfs/dbraw/zinc/98/03/93/955980393.db2.gz TXMRHKAFLFZNRJ-UWVGGRQHSA-N 2 0 296.242 1.740 10 0 CDAERP CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001316682445 955993533 /nfs/dbraw/zinc/99/35/33/955993533.db2.gz BCIAGHOAFWLGRM-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CCc2ccnc(N)c2C1 ZINC001302091712 955994481 /nfs/dbraw/zinc/99/44/81/955994481.db2.gz APVKQDMTKPFCPS-UHFFFAOYSA-N 2 0 276.384 1.280 10 0 CDAERP CC/C=C\CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001317304848 956045422 /nfs/dbraw/zinc/04/54/22/956045422.db2.gz NUQWVVUFONFMJD-YVACAVLKSA-N 2 0 293.455 1.875 10 0 CDAERP CC(C)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001422513358 956110753 /nfs/dbraw/zinc/11/07/53/956110753.db2.gz GAOHEWFMSYSNLU-HUUCEWRRSA-N 2 0 283.460 1.952 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001494049048 972168434 /nfs/dbraw/zinc/16/84/34/972168434.db2.gz UMYTZAGLSMMIJB-HUUCEWRRSA-N 2 0 283.460 1.812 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[N@H+](CC)CC1(C)C)[NH+](C)C ZINC001330212003 956329495 /nfs/dbraw/zinc/32/94/95/956329495.db2.gz YSRLLEAONJNRIY-NEPJUHHUSA-N 2 0 255.406 1.173 10 0 CDAERP COCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001365899286 956432472 /nfs/dbraw/zinc/43/24/72/956432472.db2.gz NZDKNRQHBCBAPX-LSDHHAIUSA-N 2 0 297.443 1.040 10 0 CDAERP CC[C@@H](F)C[NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001366063271 956540846 /nfs/dbraw/zinc/54/08/46/956540846.db2.gz NEQDXJLFHUJNSP-KGLIPLIRSA-N 2 0 297.418 1.315 10 0 CDAERP CO[C@@H](C)C[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001366214306 956641463 /nfs/dbraw/zinc/64/14/63/956641463.db2.gz YBTMUEKDDKVIMG-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]C/C=C\Cl ZINC001366275252 956704989 /nfs/dbraw/zinc/70/49/89/956704989.db2.gz POOKQKWNRDOMOU-VQPUKRSISA-N 2 0 285.819 1.175 10 0 CDAERP C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]C/C=C\Cl ZINC001366275251 956705895 /nfs/dbraw/zinc/70/58/95/956705895.db2.gz POOKQKWNRDOMOU-MRGQDZFZSA-N 2 0 285.819 1.175 10 0 CDAERP CC(C)C[NH2+][C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001366290420 956717572 /nfs/dbraw/zinc/71/75/72/956717572.db2.gz OSFFTEIAHDEDSG-CQSZACIVSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1nccs1 ZINC001366512694 956895790 /nfs/dbraw/zinc/89/57/90/956895790.db2.gz XCIHSOFFTLOFGP-RYUDHWBXSA-N 2 0 296.440 1.079 10 0 CDAERP CC[N@H+](CCNC(=O)CC[C@H]1CCC[NH+]1C)CC(C)C ZINC001366617908 957042596 /nfs/dbraw/zinc/04/25/96/957042596.db2.gz UFMSGONUHFEWQP-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC001366891190 957248600 /nfs/dbraw/zinc/24/86/00/957248600.db2.gz HNTUQRYMRFJRAT-HUUCEWRRSA-N 2 0 299.434 1.657 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC001367008235 957333600 /nfs/dbraw/zinc/33/36/00/957333600.db2.gz XGODAZHJILDFPE-KBPBESRZSA-N 2 0 285.407 1.267 10 0 CDAERP CCCCCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001317228205 957356267 /nfs/dbraw/zinc/35/62/67/957356267.db2.gz GRMJARAPPBMAEC-KGLIPLIRSA-N 2 0 269.433 1.755 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CCF ZINC001425559628 957568437 /nfs/dbraw/zinc/56/84/37/957568437.db2.gz MWNSGQQPEUNEOV-STQMWFEESA-N 2 0 273.396 1.267 10 0 CDAERP CN(CC[NH2+]CCF)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001317585647 957583747 /nfs/dbraw/zinc/58/37/47/957583747.db2.gz UEQUJIKLZQFUFU-UHFFFAOYSA-N 2 0 273.396 1.268 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CC1CC1 ZINC001425689109 957600267 /nfs/dbraw/zinc/60/02/67/957600267.db2.gz BJAJOGZBWQEJOJ-DZGCQCFKSA-N 2 0 281.444 1.707 10 0 CDAERP CN(CC[NH2+]CCCF)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001317644177 957617227 /nfs/dbraw/zinc/61/72/27/957617227.db2.gz UIGJKZHHUPWABD-ZIAGYGMSSA-N 2 0 285.407 1.411 10 0 CDAERP CN(CC[NH2+]CC1=CCCCC1)C(=O)C12CC[NH+](CC1)C2 ZINC001317654991 957625236 /nfs/dbraw/zinc/62/52/36/957625236.db2.gz OIFGXVYMSIKLCN-UHFFFAOYSA-N 2 0 291.439 1.631 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)[C@@H]1C ZINC001425932700 957645817 /nfs/dbraw/zinc/64/58/17/957645817.db2.gz DWIDEMVXSBQPIF-GJZGRUSLSA-N 2 0 283.460 1.952 10 0 CDAERP CCOCC[NH2+][C@@H](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001480777101 957814940 /nfs/dbraw/zinc/81/49/40/957814940.db2.gz WVCTUQGSQGDRCJ-AWEZNQCLSA-N 2 0 297.443 1.136 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001367690416 958218545 /nfs/dbraw/zinc/21/85/45/958218545.db2.gz GLRDTNMIDGPXAJ-VXGBXAGGSA-N 2 0 273.396 1.171 10 0 CDAERP CC(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001367899408 958466513 /nfs/dbraw/zinc/46/65/13/958466513.db2.gz BHOBEBXFAWWNGF-CABCVRRESA-N 2 0 281.444 1.611 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](CC)[NH2+]CC)C1 ZINC001495043348 972385947 /nfs/dbraw/zinc/38/59/47/972385947.db2.gz XWBJZACVKISTLX-UONOGXRCSA-N 2 0 269.433 1.613 10 0 CDAERP CC/C=C/CC[N@H+](C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001320073092 958922942 /nfs/dbraw/zinc/92/29/42/958922942.db2.gz QQXHVHQRJSQPIM-AATRIKPKSA-N 2 0 293.455 1.829 10 0 CDAERP CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001368545354 958953615 /nfs/dbraw/zinc/95/36/15/958953615.db2.gz CKRXZBJAXXLNRH-CABCVRRESA-N 2 0 281.444 1.804 10 0 CDAERP CC[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1cc(C)no1)[NH+](C)C ZINC001368747884 959103237 /nfs/dbraw/zinc/10/32/37/959103237.db2.gz ZDDLQUKIBMFOLR-SMDDNHRTSA-N 2 0 296.415 1.308 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]C(C)C ZINC001320438970 959174617 /nfs/dbraw/zinc/17/46/17/959174617.db2.gz IHZCIVQDCQXCLP-KGLIPLIRSA-N 2 0 269.433 1.754 10 0 CDAERP C[C@@H]([NH2+]CCF)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001368881973 959224572 /nfs/dbraw/zinc/22/45/72/959224572.db2.gz QNLSAEFHPPKSIL-NEPJUHHUSA-N 2 0 273.396 1.171 10 0 CDAERP CCN(CC[NH2+]CC=C(C)C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001320737816 959362378 /nfs/dbraw/zinc/36/23/78/959362378.db2.gz PRBCGQGRADPMQI-HUUCEWRRSA-N 2 0 281.444 1.731 10 0 CDAERP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)Cc1cccnc1 ZINC001369000825 959389671 /nfs/dbraw/zinc/38/96/71/959389671.db2.gz COYKFNRJPDZOBT-CQSZACIVSA-N 2 0 290.411 1.114 10 0 CDAERP CC(C)[C@H](CCN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]CCF ZINC001369048853 959421779 /nfs/dbraw/zinc/42/17/79/959421779.db2.gz PQQKYDDEEGWSII-AWEZNQCLSA-N 2 0 299.434 1.514 10 0 CDAERP CCN(CC[NH2+]Cc1conc1C)C(=O)C[N@H+](C)C(C)C ZINC001320930528 959462555 /nfs/dbraw/zinc/46/25/55/959462555.db2.gz ZTEPMMBDPBXEPX-UHFFFAOYSA-N 2 0 296.415 1.261 10 0 CDAERP CCC(CC)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001369238339 959567262 /nfs/dbraw/zinc/56/72/62/959567262.db2.gz PYKRVLVCNVRTFA-HIFRSBDPSA-N 2 0 283.460 1.953 10 0 CDAERP O=C(NC/C=C/C[NH2+]C/C=C\Cl)C12CC[NH+](CC1)C2 ZINC001321336952 959729001 /nfs/dbraw/zinc/72/90/01/959729001.db2.gz NZUDMNPQZQGIBE-AOVUDYDWSA-N 2 0 283.803 1.097 10 0 CDAERP CC[C@H](C(=O)NC/C=C\C[NH2+]CCC(F)(F)F)[NH+](C)C ZINC001321340011 959730129 /nfs/dbraw/zinc/73/01/29/959730129.db2.gz WLGGSVPSXPVNFL-ISALQUGTSA-N 2 0 295.349 1.541 10 0 CDAERP COCCC[N@H+](C)C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001322195436 960129455 /nfs/dbraw/zinc/12/94/55/960129455.db2.gz GGOWRJQCYRYJSG-CQSZACIVSA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@@H](C[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C)OC ZINC001322570601 960264366 /nfs/dbraw/zinc/26/43/66/960264366.db2.gz SDDXRIGBQVJSJS-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]C/C=C/Cl)C1CC1 ZINC001323046797 960420505 /nfs/dbraw/zinc/42/05/05/960420505.db2.gz JRQUOROKMRKRME-SJXJOUCVSA-N 2 0 285.819 1.318 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N[C@H](C[NH2+]C/C=C/Cl)C2CC2)C1 ZINC001323092589 960447196 /nfs/dbraw/zinc/44/71/96/960447196.db2.gz APEXWGUWTMETCX-SZOGZUGYSA-N 2 0 299.846 1.565 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001323264830 960594526 /nfs/dbraw/zinc/59/45/26/960594526.db2.gz XVRLKNASLADHES-AZJURWTESA-N 2 0 281.444 1.873 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001418664415 960870659 /nfs/dbraw/zinc/87/06/59/960870659.db2.gz XQONXMFHEBXLEK-TUVASFSCSA-N 2 0 299.434 1.561 10 0 CDAERP C[C@H](C(=O)NC[C@H]1CC[N@H+](CCF)C1)[NH+]1CCCCCC1 ZINC001418682674 960900959 /nfs/dbraw/zinc/90/09/59/960900959.db2.gz IZVDPCSPZWBJGG-HUUCEWRRSA-N 2 0 299.434 1.659 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]([NH2+]CCC(F)(F)F)C1CC1 ZINC001419284631 961581060 /nfs/dbraw/zinc/58/10/60/961581060.db2.gz RQTMIWFHSBPCLE-NSHDSACASA-N 2 0 295.349 1.375 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC[C@H]2CCCCO2)C1 ZINC001419489341 961754065 /nfs/dbraw/zinc/75/40/65/961754065.db2.gz JTDSSLBYAIIYOS-QLFBSQMISA-N 2 0 297.443 1.134 10 0 CDAERP Cc1nccn1CC(=O)N[C@H]1C[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001419511699 961776092 /nfs/dbraw/zinc/77/60/92/961776092.db2.gz XOWBCSWPDARTFI-RETOZKSVSA-N 2 0 282.775 1.181 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001436365737 962211992 /nfs/dbraw/zinc/21/19/92/962211992.db2.gz NHDCLJYHGBICBV-ZQDZILKHSA-N 2 0 281.444 1.469 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1C[NH+](C)CCCO ZINC001436493822 962291318 /nfs/dbraw/zinc/29/13/18/962291318.db2.gz GPOHLYCDETVDRG-HNNXBMFYSA-N 2 0 299.459 1.024 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001419965579 962301708 /nfs/dbraw/zinc/30/17/08/962301708.db2.gz HKLFPUAJGHITCK-AWEZNQCLSA-N 2 0 283.460 1.907 10 0 CDAERP CC[NH2+][C@@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC001436807036 962429347 /nfs/dbraw/zinc/42/93/47/962429347.db2.gz MSTQBZICDXTSFY-BBRMVZONSA-N 2 0 299.434 1.703 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CCc2ccccc2)C1 ZINC001436911223 962493335 /nfs/dbraw/zinc/49/33/35/962493335.db2.gz OFJFQVLYKIKNMD-WKILWMFISA-N 2 0 289.423 1.418 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(C)no2)C1 ZINC001436975929 962537153 /nfs/dbraw/zinc/53/71/53/962537153.db2.gz XHQIXJOLYBOKFQ-BETUJISGSA-N 2 0 294.399 1.062 10 0 CDAERP CC(C)OCC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001437040887 962576239 /nfs/dbraw/zinc/57/62/39/962576239.db2.gz KBDZTIICQDJFIU-OAHLLOKOSA-N 2 0 299.459 1.334 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)CC2CCC2)CC[N@@H+]1C ZINC001420218680 962596073 /nfs/dbraw/zinc/59/60/73/962596073.db2.gz LNSZIGXXHWCJMG-LSDHHAIUSA-N 2 0 281.444 1.565 10 0 CDAERP C[NH+](C)CCC(=O)NCC[N@H+](C)CC1CC2(CCC2)C1 ZINC001420290827 962691284 /nfs/dbraw/zinc/69/12/84/962691284.db2.gz RGBLJUYJSUSSAV-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)CC[NH2+][C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001437166849 962693512 /nfs/dbraw/zinc/69/35/12/962693512.db2.gz LQQFENSUMNCNMU-CQSZACIVSA-N 2 0 281.444 1.755 10 0 CDAERP CCc1ccc(C[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C)cc1 ZINC001420337064 962760901 /nfs/dbraw/zinc/76/09/01/962760901.db2.gz FWVHQPLKQNJRPD-CQSZACIVSA-N 2 0 291.439 1.795 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CC1CC1 ZINC001437427533 962878004 /nfs/dbraw/zinc/87/80/04/962878004.db2.gz KWTOCAPDWQLENV-UKRRQHHQSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H](C[NH2+]Cc1cncs1)NC(=O)C1([NH+](C)C)CCC1 ZINC001420439289 962909663 /nfs/dbraw/zinc/90/96/63/962909663.db2.gz QUIKXWWNNPAEMY-NSHDSACASA-N 2 0 296.440 1.222 10 0 CDAERP O=C(CCCn1ccnc1)N1CCC([NH2+]C2CCC2)CC1 ZINC001420484862 962965851 /nfs/dbraw/zinc/96/58/51/962965851.db2.gz VCHDNOLRMFZTDX-UHFFFAOYSA-N 2 0 290.411 1.796 10 0 CDAERP CCCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@H+](CCCO)C1 ZINC001420825447 963275444 /nfs/dbraw/zinc/27/54/44/963275444.db2.gz GHRWTLXDGQREMW-OAHLLOKOSA-N 2 0 299.459 1.022 10 0 CDAERP CC[C@@H](C)C[NH+]1CC(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001438128067 963335799 /nfs/dbraw/zinc/33/57/99/963335799.db2.gz KTNKKPQJBQIPLF-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](C(=O)NCC[C@@H]1CC[N@H+](CCC2CC2)C1)[NH+](C)C ZINC001420902185 963342548 /nfs/dbraw/zinc/34/25/48/963342548.db2.gz ZFZAEHBBEIOJBD-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001421033583 963423074 /nfs/dbraw/zinc/42/30/74/963423074.db2.gz WKWMHKGKRUGCSH-QGZVFWFLSA-N 2 0 295.471 1.909 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@H](C[NH2+]CC1CC1)C1CCCC1 ZINC001421174161 963484537 /nfs/dbraw/zinc/48/45/37/963484537.db2.gz YBSNUEAVAMVLFI-MRXNPFEDSA-N 2 0 293.455 1.757 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccccc1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001438642204 963510476 /nfs/dbraw/zinc/51/04/76/963510476.db2.gz ZOWKCQOPFLJAPL-HOCLYGCPSA-N 2 0 289.423 1.717 10 0 CDAERP CC(C)CC[N@H+](C)CCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001438927335 963601257 /nfs/dbraw/zinc/60/12/57/963601257.db2.gz KQAWHWCDOXYAGJ-HNNXBMFYSA-N 2 0 283.460 1.765 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1ncccc1C)[NH+](C)C ZINC001439126116 963648630 /nfs/dbraw/zinc/64/86/30/963648630.db2.gz BKDWQSILYRHGRG-UKRRQHHQSA-N 2 0 292.427 1.325 10 0 CDAERP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001439179247 963664055 /nfs/dbraw/zinc/66/40/55/963664055.db2.gz RPKWOFFXSJHHGA-GDBMZVCRSA-N 2 0 289.423 1.541 10 0 CDAERP CC(C)CCC[NH+]1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001439755520 963852753 /nfs/dbraw/zinc/85/27/53/963852753.db2.gz QPUJUNZKDHNQTD-AWEZNQCLSA-N 2 0 281.444 1.517 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001439785806 963858801 /nfs/dbraw/zinc/85/88/01/963858801.db2.gz XMWZHVUOBUNTDX-STQMWFEESA-N 2 0 273.396 1.267 10 0 CDAERP COCC[N@@H+]1CC[C@@](C)(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001439859504 963882850 /nfs/dbraw/zinc/88/28/50/963882850.db2.gz OFVHTCPQHQOAKG-GOEBONIOSA-N 2 0 297.443 1.088 10 0 CDAERP CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001439932882 963899079 /nfs/dbraw/zinc/89/90/79/963899079.db2.gz AKAGSWJUDAIOCO-INIZCTEOSA-N 2 0 283.460 1.957 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001440268585 963963132 /nfs/dbraw/zinc/96/31/32/963963132.db2.gz AMJWQEISBIJCLR-KBXIAJHMSA-N 2 0 281.444 1.611 10 0 CDAERP CC[C@H](C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1)OC ZINC001440399539 964017801 /nfs/dbraw/zinc/01/78/01/964017801.db2.gz UFOBDNDBCUPSTK-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH+](C)CCC1CC1 ZINC001441009334 964321847 /nfs/dbraw/zinc/32/18/47/964321847.db2.gz XDCXNPAUUPMWOC-HIFRSBDPSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)[NH2+][C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001441222111 964417409 /nfs/dbraw/zinc/41/74/09/964417409.db2.gz GPXUYBAFULHNFE-CQSZACIVSA-N 2 0 281.444 1.754 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2)C1)[NH+](C)C ZINC001441513220 964565409 /nfs/dbraw/zinc/56/54/09/964565409.db2.gz SYTLANPRADWBOJ-XHSDSOJGSA-N 2 0 289.423 1.764 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001441935062 964796363 /nfs/dbraw/zinc/79/63/63/964796363.db2.gz IEDPUMZUIVRASK-NEPJUHHUSA-N 2 0 291.386 1.468 10 0 CDAERP C[N@H+](CCCCNC(=O)CC[NH+]1CC[C@H](F)C1)C1CC1 ZINC001556938169 965122414 /nfs/dbraw/zinc/12/24/14/965122414.db2.gz RJFHYCQCUZPIIM-ZDUSSCGKSA-N 2 0 285.407 1.411 10 0 CDAERP CCCC[N@H+](CC)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001442666085 965168261 /nfs/dbraw/zinc/16/82/61/965168261.db2.gz SPYUWAAPQRMNOQ-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]CCF ZINC001443935134 965673848 /nfs/dbraw/zinc/67/38/48/965673848.db2.gz SXBQSRZNZNGFEU-STQMWFEESA-N 2 0 273.396 1.315 10 0 CDAERP CC[NH2+]C[C@@H](C)NC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001445484155 966208818 /nfs/dbraw/zinc/20/88/18/966208818.db2.gz YQIOWGCOGKUEDX-HIFRSBDPSA-N 2 0 277.412 1.794 10 0 CDAERP CC(C)C[NH2+]CC(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC001349420303 966344893 /nfs/dbraw/zinc/34/48/93/966344893.db2.gz ILXGKAFKVDOSEB-UONOGXRCSA-N 2 0 267.417 1.223 10 0 CDAERP CS[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1[NH+](C)C ZINC001447101192 966700017 /nfs/dbraw/zinc/70/00/17/966700017.db2.gz JHZBLOCKKMDRCS-FQUUOJAGSA-N 2 0 299.484 1.221 10 0 CDAERP CC(C)CC[N@H+](C)[C@@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001448049268 966978216 /nfs/dbraw/zinc/97/82/16/966978216.db2.gz YQFZROLVPYIQMG-AWEZNQCLSA-N 2 0 283.460 1.953 10 0 CDAERP CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3([NH+](C)C)CCC3)[C@@H]2C1 ZINC001448441001 967111257 /nfs/dbraw/zinc/11/12/57/967111257.db2.gz WTQXEUMOHASJQJ-ZSOGYDGISA-N 2 0 279.428 1.175 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC001543264780 967287621 /nfs/dbraw/zinc/28/76/21/967287621.db2.gz HLQYLAVBOMCHHJ-STQMWFEESA-N 2 0 255.406 1.032 10 0 CDAERP C[NH+](C)[C@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1(C)C ZINC001452124795 968070009 /nfs/dbraw/zinc/07/00/09/968070009.db2.gz FTZSUUZSRYOJPL-XGUBFFRZSA-N 2 0 295.471 1.952 10 0 CDAERP C([NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)C1([C@H]2CCCCO2)CCC1 ZINC001459330788 969414322 /nfs/dbraw/zinc/41/43/22/969414322.db2.gz HOHCNWGPUUXAQD-RBSFLKMASA-N 2 0 264.413 1.877 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+](C)C2)CC1 ZINC001465021044 969838719 /nfs/dbraw/zinc/83/87/19/969838719.db2.gz QJBWOKNGMNOOEL-OAHLLOKOSA-N 2 0 295.471 1.812 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC[NH+]2CC=CC2)C1 ZINC001465329995 969866452 /nfs/dbraw/zinc/86/64/52/969866452.db2.gz BNKVINWIKMGCMR-KBPBESRZSA-N 2 0 265.401 1.095 10 0 CDAERP CC[C@@H](C[NH+](C)C)OC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001516657172 969947442 /nfs/dbraw/zinc/94/74/42/969947442.db2.gz NZHXIGUZXYJLKK-QWHCGFSZSA-N 2 0 256.390 1.743 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC001361667517 970398824 /nfs/dbraw/zinc/39/88/24/970398824.db2.gz XKAMYIWACPPDCT-INIZCTEOSA-N 2 0 293.455 1.661 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC001361732356 970473158 /nfs/dbraw/zinc/47/31/58/970473158.db2.gz RZXJXYQUINUNSB-HOTGVXAUSA-N 2 0 293.455 1.804 10 0 CDAERP CC[C@@H](C(=O)N1CCCC[C@H]1CC[NH2+]CCCO)[NH+](C)C ZINC001496412779 972914675 /nfs/dbraw/zinc/91/46/75/972914675.db2.gz WNQPEZYATWGTAB-GJZGRUSLSA-N 2 0 299.459 1.070 10 0 CDAERP CC(C)[NH2+][C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)C ZINC001496604034 972984837 /nfs/dbraw/zinc/98/48/37/972984837.db2.gz XBWYVUJWCIMTED-KGLIPLIRSA-N 2 0 269.433 1.467 10 0 CDAERP CC(C)[N@@H+]1CC[C@](C)(NC(=O)CCCC[NH+](C)C)C1 ZINC001569651447 1169953879 /nfs/dbraw/zinc/95/38/79/1169953879.db2.gz RRDJEXXVAHDDQK-HNNXBMFYSA-N 2 0 269.433 1.707 10 0 CDAERP CC[C@H](C(=O)N(C)CC[N@H+](C)CC=C(C)C)[NH+](C)C ZINC001496821561 973111191 /nfs/dbraw/zinc/11/11/91/973111191.db2.gz KULISGJSFALBAS-CQSZACIVSA-N 2 0 269.433 1.683 10 0 CDAERP O=C(CCC[NH+]1CCCC1)N[C@H]1CCC[C@@H]1C[NH2+]CCF ZINC001496920782 973145455 /nfs/dbraw/zinc/14/54/55/973145455.db2.gz ZBTFERWISOWDEZ-CABCVRRESA-N 2 0 299.434 1.706 10 0 CDAERP C[C@H](CC[NH2+]CC1CC1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001497208329 973245332 /nfs/dbraw/zinc/24/53/32/973245332.db2.gz QSXAGGMCVUCEMP-UKRRQHHQSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]C/C=C\Cl)[NH+](C)C ZINC001497269248 973270275 /nfs/dbraw/zinc/27/02/75/973270275.db2.gz XRAQGNIHVXAUOR-HTMRKKJOSA-N 2 0 275.824 1.564 10 0 CDAERP C[N@H+](CCC1CC1)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001373276463 973338037 /nfs/dbraw/zinc/33/80/37/973338037.db2.gz BRCGHRMHICTPRE-CVEARBPZSA-N 2 0 293.455 1.661 10 0 CDAERP CC[N@H+](C)CC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001373320037 973362357 /nfs/dbraw/zinc/36/23/57/973362357.db2.gz IBLQXMIUCYDMGY-UHFFFAOYSA-N 2 0 281.444 1.519 10 0 CDAERP C[C@H](C[NH2+]Cc1cccc(F)c1F)NC(=O)CC[NH+](C)C ZINC001497899938 973568867 /nfs/dbraw/zinc/56/88/67/973568867.db2.gz OWXKSDRWKVWLKO-LLVKDONJSA-N 2 0 299.365 1.511 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC[C@@H](C)F)C1 ZINC001418112314 973590923 /nfs/dbraw/zinc/59/09/23/973590923.db2.gz FWQUPSIRIDRJJO-APIJFGDWSA-N 2 0 299.434 1.846 10 0 CDAERP CC[C@@H](C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)C)OC ZINC001418152319 973613385 /nfs/dbraw/zinc/61/33/85/973613385.db2.gz CFPDWDGKNYCZPX-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP C[C@@H](C[NH2+]Cc1cc(F)ccc1F)NC(=O)CC[NH+](C)C ZINC001498106796 973684177 /nfs/dbraw/zinc/68/41/77/973684177.db2.gz WMCUOPJUEPBDRF-NSHDSACASA-N 2 0 299.365 1.511 10 0 CDAERP C[C@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC1CCC1 ZINC001418415233 973808324 /nfs/dbraw/zinc/80/83/24/973808324.db2.gz MZNTZEOUVWMYJS-ZIAGYGMSSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001498357495 973856364 /nfs/dbraw/zinc/85/63/64/973856364.db2.gz SFPWVCUPWKFWFJ-CYBMUJFWSA-N 2 0 269.433 1.706 10 0 CDAERP C[C@H](C[N@@H+](C)CC[C@H](C)F)NC(=O)CC[NH+](C)C ZINC001498393294 973881748 /nfs/dbraw/zinc/88/17/48/973881748.db2.gz IEHNPGNOFWWEMZ-NWDGAFQWSA-N 2 0 261.385 1.123 10 0 CDAERP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@H+](C)C[C@@H]1CCCOC1 ZINC001498455523 973924827 /nfs/dbraw/zinc/92/48/27/973924827.db2.gz JBDPHXOZNUEMPH-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)C[C@@H]1CCO[C@H](C)C1 ZINC001418528845 973935386 /nfs/dbraw/zinc/93/53/86/973935386.db2.gz WSOATCUQOKRJRU-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001499049570 974170932 /nfs/dbraw/zinc/17/09/32/974170932.db2.gz IXNFVTFJSMUXIE-HNNXBMFYSA-N 2 0 293.455 1.709 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H](F)C[NH+](CC)CC ZINC001499898035 974329463 /nfs/dbraw/zinc/32/94/63/974329463.db2.gz XXPKIJYYPNBCGC-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001375497386 974406038 /nfs/dbraw/zinc/40/60/38/974406038.db2.gz CSCNUHZBSCRLAJ-RWMBFGLXSA-N 2 0 273.396 1.171 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC2CC(F)(F)C2)C1 ZINC001376151203 974584973 /nfs/dbraw/zinc/58/49/73/974584973.db2.gz MSEITTMOQYNTQE-GFCCVEGCSA-N 2 0 289.370 1.174 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]([NH2+]Cc1ccns1)C1CC1 ZINC001376245015 974613199 /nfs/dbraw/zinc/61/31/99/974613199.db2.gz QCISYWIIMFFBJN-CYBMUJFWSA-N 2 0 296.440 1.079 10 0 CDAERP CC(C)[NH2+]CC[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001501637811 974613718 /nfs/dbraw/zinc/61/37/18/974613718.db2.gz PYGGCHNKEGTTIL-GJZGRUSLSA-N 2 0 281.444 1.565 10 0 CDAERP CC1CC[NH+](CC(=O)N[C@H]2C[C@@H]([NH2+]C/C=C/Cl)C2)CC1 ZINC001376481380 974673735 /nfs/dbraw/zinc/67/37/35/974673735.db2.gz QRNZFYBAQQPRQM-YBGBEFGJSA-N 2 0 299.846 1.708 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH2+]C/C=C\Cl)CCC2)C1 ZINC001376805984 974777355 /nfs/dbraw/zinc/77/73/55/974777355.db2.gz BEMREGGMYHZPHF-QTEJZOKPSA-N 2 0 299.846 1.709 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1CCC[N@H+](CC2CC2)CC1)[NH+](C)C ZINC001376882234 974800757 /nfs/dbraw/zinc/80/07/57/974800757.db2.gz MMBQTBNATAVGQR-HUUCEWRRSA-N 2 0 281.444 1.707 10 0 CDAERP O=C(CCC[NH+]1CCCCC1)NC1CC(C[NH2+]CCF)C1 ZINC001505535908 974902255 /nfs/dbraw/zinc/90/22/55/974902255.db2.gz FAXWWUQHJXNHFG-UHFFFAOYSA-N 2 0 299.434 1.706 10 0 CDAERP CC[N@@H+]1Cc2ccc(CNC(=O)Cn3cncc3C)cc2C1 ZINC001377213188 974928472 /nfs/dbraw/zinc/92/84/72/974928472.db2.gz APJBJQONDDRRHH-UHFFFAOYSA-N 2 0 298.390 1.843 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+](CC)[C@@H](C)COC)CC[N@@H+]1C ZINC001377312719 974972206 /nfs/dbraw/zinc/97/22/06/974972206.db2.gz LQGFOTHGIXKRKY-SOUVJXGZSA-N 2 0 299.459 1.190 10 0 CDAERP CC[N@H+](CCCF)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001377317671 974972238 /nfs/dbraw/zinc/97/22/38/974972238.db2.gz UUGZOHNYJYCGIN-GJZGRUSLSA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001377695001 975114288 /nfs/dbraw/zinc/11/42/88/975114288.db2.gz MZADZCXRXOBZRN-RBSFLKMASA-N 2 0 281.444 1.563 10 0 CDAERP O=C(C[NH+]1CCCC1)NCC[C@H]1CC[N@@H+](C/C=C/Cl)C1 ZINC001377719578 975118365 /nfs/dbraw/zinc/11/83/65/975118365.db2.gz KZWPWZYHHFNBRT-ZRFDWSJLSA-N 2 0 299.846 1.663 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC2CCC2)C1)[NH+](C)C ZINC001506895918 975249968 /nfs/dbraw/zinc/24/99/68/975249968.db2.gz GCOPTIAPAWOKLJ-BZUAXINKSA-N 2 0 295.471 1.857 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N(C)[C@@H](C[NH2+]CCF)C2CC2)CC[N@@H+]1C ZINC001507023259 975297732 /nfs/dbraw/zinc/29/77/32/975297732.db2.gz OFQYFNKXOMZKOX-QEJZJMRPSA-N 2 0 299.434 1.513 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CC(C)C ZINC001378301249 975322887 /nfs/dbraw/zinc/32/28/87/975322887.db2.gz ZCQMBZFQRMWLSS-SOUVJXGZSA-N 2 0 283.460 1.857 10 0 CDAERP CC[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]C/C=C\Cl ZINC001378316428 975328395 /nfs/dbraw/zinc/32/83/95/975328395.db2.gz KFECLHWYTDLZOX-FSMZVQOTSA-N 2 0 287.835 1.565 10 0 CDAERP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]C[C@H]1CCCCO1 ZINC001507154018 975356734 /nfs/dbraw/zinc/35/67/34/975356734.db2.gz LRVKEWZIAQGTEA-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]Cc1cccnc1 ZINC001378504445 975370601 /nfs/dbraw/zinc/37/06/01/975370601.db2.gz GVPKLZOEPRRLPJ-OAHLLOKOSA-N 2 0 290.411 1.114 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001404652672 975450312 /nfs/dbraw/zinc/45/03/12/975450312.db2.gz FYKWZYNUOQNCLB-MELADBBJSA-N 2 0 285.407 1.409 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@@H]1[C@H]2C[NH+](C[C@H](C)CC)C[C@H]21 ZINC001378770628 975486132 /nfs/dbraw/zinc/48/61/32/975486132.db2.gz YDEIZYDXTYGWKK-FPCVCCKLSA-N 2 0 295.471 1.668 10 0 CDAERP CC(C)[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]C/C=C\Cl ZINC001379000886 975586140 /nfs/dbraw/zinc/58/61/40/975586140.db2.gz QQEYSTMKOJMDLE-RJNRQISESA-N 2 0 299.846 1.565 10 0 CDAERP CC(C)C[NH+]1CCC([C@@H](C)NC(=O)C[NH+]2CCCC2)CC1 ZINC001508069961 975599393 /nfs/dbraw/zinc/59/93/93/975599393.db2.gz QOVVYCCBIJEVMA-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001397623977 975658847 /nfs/dbraw/zinc/65/88/47/975658847.db2.gz HUTYGJXCJHHODA-NFAWXSAZSA-N 2 0 299.434 1.561 10 0 CDAERP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CCC(F)(F)F ZINC001405281824 975704083 /nfs/dbraw/zinc/70/40/83/975704083.db2.gz FXSLNHABIRZXQO-JTQLQIEISA-N 2 0 283.338 1.375 10 0 CDAERP CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CC[C@H](C)F ZINC001405301845 975709587 /nfs/dbraw/zinc/70/95/87/975709587.db2.gz ZRFPTMAFPQAAQB-JSGCOSHPSA-N 2 0 287.423 1.561 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CC1CCC1 ZINC001397800582 975726691 /nfs/dbraw/zinc/72/66/91/975726691.db2.gz DKOASFFLJRJHIF-HIFRSBDPSA-N 2 0 293.455 1.707 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001401693876 975803428 /nfs/dbraw/zinc/80/34/28/975803428.db2.gz UKBIZKGCAYZWET-STQMWFEESA-N 2 0 285.407 1.457 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001401699578 975809509 /nfs/dbraw/zinc/80/95/09/975809509.db2.gz GLRDTNMIDGPXAJ-RYUDHWBXSA-N 2 0 273.396 1.171 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](C[C@H](C)CC)CCO1 ZINC001405742695 975841692 /nfs/dbraw/zinc/84/16/92/975841692.db2.gz SATYQIONSQXODS-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@H]([NH2+]CC1CC1)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001398203465 975887143 /nfs/dbraw/zinc/88/71/43/975887143.db2.gz JTADMNYOLAPWHS-ZFWWWQNUSA-N 2 0 281.444 1.707 10 0 CDAERP CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001405928933 975941086 /nfs/dbraw/zinc/94/10/86/975941086.db2.gz PXGZHDFUSBDZII-GJZGRUSLSA-N 2 0 281.444 1.469 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001398331994 975946881 /nfs/dbraw/zinc/94/68/81/975946881.db2.gz OGBDWLQRAYGHPD-CQSZACIVSA-N 2 0 295.452 1.780 10 0 CDAERP CC(C)CC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001405995466 975956649 /nfs/dbraw/zinc/95/66/49/975956649.db2.gz MTROPNRLXSJJEF-CABCVRRESA-N 2 0 283.460 1.811 10 0 CDAERP CC[N@@H+]1CC[C@]2(NC(=O)CC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001379627166 975966040 /nfs/dbraw/zinc/96/60/40/975966040.db2.gz ZFKBBDBHZYZYGG-NVXWUHKLSA-N 2 0 293.455 1.996 10 0 CDAERP CC[NH2+][C@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)C(C)C ZINC001406072666 976003199 /nfs/dbraw/zinc/00/31/99/976003199.db2.gz HVRBOBXLBBGENR-CABCVRRESA-N 2 0 283.460 1.857 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC001379694825 976015389 /nfs/dbraw/zinc/01/53/89/976015389.db2.gz ZCBBHPYCYRRSHZ-STQMWFEESA-N 2 0 275.412 1.511 10 0 CDAERP CC(C)[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001389911305 976040590 /nfs/dbraw/zinc/04/05/90/976040590.db2.gz XTGFGVSGMFKADP-KKUMJFAQSA-N 2 0 281.444 1.752 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@H]21 ZINC001406200948 976092632 /nfs/dbraw/zinc/09/26/32/976092632.db2.gz XXXRMDWZCPAGDJ-LSDHHAIUSA-N 2 0 281.444 1.517 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001398675336 976103213 /nfs/dbraw/zinc/10/32/13/976103213.db2.gz XLPJULWCTNXZLR-YIYPIFLZSA-N 2 0 287.423 1.558 10 0 CDAERP C[C@@H]1[C@H](C(=O)N[C@H](C[NH2+]CC2CC2)C2CC2)CC[N@@H+]1C ZINC001379858894 976108493 /nfs/dbraw/zinc/10/84/93/976108493.db2.gz PEZFQHHPPYNFCK-KCPJHIHWSA-N 2 0 279.428 1.221 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+](C/C=C/Cl)C1 ZINC001402125854 976134432 /nfs/dbraw/zinc/13/44/32/976134432.db2.gz FQVACJFXSKPDOU-LVDDQXARSA-N 2 0 273.808 1.271 10 0 CDAERP CC(C)C[NH2+]C[C@@]1(C)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001402175200 976162063 /nfs/dbraw/zinc/16/20/63/976162063.db2.gz QVIMQKODUSFWFT-MRXNPFEDSA-N 2 0 293.455 1.566 10 0 CDAERP CC(C)[C@H](C(=O)NC[C@H]1CC[N@@H+]1CC1CCCC1)[NH+](C)C ZINC001380006436 976180750 /nfs/dbraw/zinc/18/07/50/976180750.db2.gz FHYVOMSXDKFODQ-HZPDHXFCSA-N 2 0 295.471 1.953 10 0 CDAERP CCC[NH+]1CCC(C2(NC(=O)CC[NH+](C)C)CC2)CC1 ZINC001380183422 976281589 /nfs/dbraw/zinc/28/15/89/976281589.db2.gz IBGCWCWJPYYZHL-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)C[C@H](C)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001402444399 976287073 /nfs/dbraw/zinc/28/70/73/976287073.db2.gz LAXDAWHXUMCLAT-GJZGRUSLSA-N 2 0 283.460 1.811 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC ZINC001402481863 976307797 /nfs/dbraw/zinc/30/77/97/976307797.db2.gz UNUWACYWLULGQU-CABCVRRESA-N 2 0 281.444 1.804 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CC2CCC2)C1 ZINC001399231436 976391561 /nfs/dbraw/zinc/39/15/61/976391561.db2.gz ATJRXQHJHYKUEZ-HNNXBMFYSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]CCF ZINC001406800753 976411815 /nfs/dbraw/zinc/41/18/15/976411815.db2.gz FEXIOHCJMCAFMC-OLZOCXBDSA-N 2 0 273.396 1.124 10 0 CDAERP C[C@]1(C[NH2+]CC2CCC2)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001380415852 976413929 /nfs/dbraw/zinc/41/39/29/976413929.db2.gz RVULBINZZYISIL-QGZVFWFLSA-N 2 0 293.455 1.711 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CC[NH+]1CCC1CC1 ZINC001406855934 976444647 /nfs/dbraw/zinc/44/46/47/976444647.db2.gz SMEWEGOAORMUGP-HOTGVXAUSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CCC(C)(C)C ZINC001402788001 976479872 /nfs/dbraw/zinc/47/98/72/976479872.db2.gz ODOZFSUVPYALAP-LSDHHAIUSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](F)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001406952524 976489038 /nfs/dbraw/zinc/48/90/38/976489038.db2.gz FIXVKTHPSDSHLJ-STQMWFEESA-N 2 0 285.407 1.457 10 0 CDAERP O=C(NCC1([NH2+]CCF)CC1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001406982030 976503998 /nfs/dbraw/zinc/50/39/98/976503998.db2.gz ZZRYXRXRHUORCQ-QWHCGFSZSA-N 2 0 283.391 1.211 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001381030390 976650155 /nfs/dbraw/zinc/65/01/55/976650155.db2.gz BUTJQEZFSKXMQL-QGZVFWFLSA-N 2 0 293.455 1.663 10 0 CDAERP C[C@@H](F)CC[NH2+][C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001403069633 976693780 /nfs/dbraw/zinc/69/37/80/976693780.db2.gz PHLZHXLRQHXRPJ-OLZOCXBDSA-N 2 0 287.423 1.561 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001391103844 976694070 /nfs/dbraw/zinc/69/40/70/976694070.db2.gz GANVSQMSZJPHDZ-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](F)C[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001399854826 976702093 /nfs/dbraw/zinc/70/20/93/976702093.db2.gz QQZSIAQKTUFSHG-DZGCQCFKSA-N 2 0 299.434 1.799 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001399895968 976726567 /nfs/dbraw/zinc/72/65/67/976726567.db2.gz KUPYIZNNJXOXSP-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)NCC[C@@H]2CC[NH+](CC)C2)C1 ZINC001391313917 976806127 /nfs/dbraw/zinc/80/61/27/976806127.db2.gz GUODDARRQJNUES-CVEARBPZSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@H](O)C[N@H+](C)CCCN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001407901526 976827156 /nfs/dbraw/zinc/82/71/56/976827156.db2.gz QRSPHKURIDQEPY-LSDHHAIUSA-N 2 0 299.459 1.022 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)Cc1ccsc1 ZINC001381502840 976870557 /nfs/dbraw/zinc/87/05/57/976870557.db2.gz QUKZPTNHBOJBTG-TZMCWYRMSA-N 2 0 295.452 1.779 10 0 CDAERP C[NH+](C)CCC(=O)NCC[C@@H]1CC[N@H+](C/C=C\Cl)C1 ZINC001400181224 976901849 /nfs/dbraw/zinc/90/18/49/976901849.db2.gz XSJFJJSGSPQTCN-RBWDJNPFSA-N 2 0 287.835 1.519 10 0 CDAERP CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@@H+]([C@H](C)COC)C1 ZINC001400162229 976903871 /nfs/dbraw/zinc/90/38/71/976903871.db2.gz ZVHNFZKXYNFVNO-HUUCEWRRSA-N 2 0 299.459 1.286 10 0 CDAERP CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001403379640 976921363 /nfs/dbraw/zinc/92/13/63/976921363.db2.gz OFUJLTZRTNBFPB-XQLPTFJDSA-N 2 0 299.434 1.370 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)CCc2c[nH]cn2)C1 ZINC001403413580 976941458 /nfs/dbraw/zinc/94/14/58/976941458.db2.gz IMXTVBOBHMPUDI-YRGRVCCFSA-N 2 0 296.390 1.575 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)CCC1CC1 ZINC001403564106 977068936 /nfs/dbraw/zinc/06/89/36/977068936.db2.gz KOURQSFYJJTDKN-HNNXBMFYSA-N 2 0 279.428 1.176 10 0 CDAERP CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CCC(C)C ZINC001391741265 977076196 /nfs/dbraw/zinc/07/61/96/977076196.db2.gz NQWFBKGZXVWGIO-AWEZNQCLSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]Cc1cncs1 ZINC001391956394 977162242 /nfs/dbraw/zinc/16/22/42/977162242.db2.gz FIXNQAJVWXDMSJ-LBPRGKRZSA-N 2 0 296.440 1.081 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC[N@@H+](C)CCC2CC2)C1 ZINC001403736440 977166961 /nfs/dbraw/zinc/16/69/61/977166961.db2.gz QBVVOUQCDUOHDY-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]Cc2ccsc2)CN1C(=O)CC[NH+](C)C ZINC001403756308 977174704 /nfs/dbraw/zinc/17/47/04/977174704.db2.gz WWFZGVOJJULHOE-OCCSQVGLSA-N 2 0 295.452 1.779 10 0 CDAERP CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CC1CCCC1)[NH+](C)C ZINC001392129280 977230538 /nfs/dbraw/zinc/23/05/38/977230538.db2.gz ZDLNAYCXNYECTB-DZGCQCFKSA-N 2 0 283.460 1.953 10 0 CDAERP CC[N@H+](CCNC(=O)CC[NH+](C)C)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001403907820 977254014 /nfs/dbraw/zinc/25/40/14/977254014.db2.gz NTMMRSPFFSWUNG-OAGGEKHMSA-N 2 0 295.471 1.812 10 0 CDAERP CCCC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001404011075 977304319 /nfs/dbraw/zinc/30/43/19/977304319.db2.gz BSNUWEHGKVAMOB-HUUCEWRRSA-N 2 0 281.444 1.709 10 0 CDAERP CO[C@H](C)C[NH+]1CCC([C@H](C)NC(=O)CC[NH+](C)C)CC1 ZINC001382562380 977307344 /nfs/dbraw/zinc/30/73/44/977307344.db2.gz WSFOUXQRJXAVJP-KGLIPLIRSA-N 2 0 299.459 1.190 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CCC[NH+]2C/C=C/Cl)C1 ZINC001404028438 977312241 /nfs/dbraw/zinc/31/22/41/977312241.db2.gz VNEPZNNRXFUELD-HNCOSLNKSA-N 2 0 299.846 1.661 10 0 CDAERP C[C@@H](C[N@H+](C)CC1CCCCC1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001392719466 977568886 /nfs/dbraw/zinc/56/88/86/977568886.db2.gz AJCWUCOIDGTBQM-GOEBONIOSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]CC1CCCC1 ZINC001393399601 977778136 /nfs/dbraw/zinc/77/81/36/977778136.db2.gz VQZDDFCDHBQAIO-HOCLYGCPSA-N 2 0 295.471 1.812 10 0 CDAERP C[C@H](F)CC[NH2+][C@@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001393824867 977928130 /nfs/dbraw/zinc/92/81/30/977928130.db2.gz UFIJPDOQFSDCRG-STQMWFEESA-N 2 0 285.407 1.315 10 0 CDAERP CC[NH2+]CC1(NC(=O)[C@@H]2CCCC[N@@H+]2C)CCCCC1 ZINC001394188495 978099764 /nfs/dbraw/zinc/09/97/64/978099764.db2.gz MYUDLXZTPQZWDF-AWEZNQCLSA-N 2 0 281.444 1.899 10 0 CDAERP CC(C)[NH+](C)CC(=O)NC[C@H]1CCCCC[N@H+]1C[C@@H](C)O ZINC001394211872 978105452 /nfs/dbraw/zinc/10/54/52/978105452.db2.gz RISHIEHISOUDKH-HUUCEWRRSA-N 2 0 299.459 1.068 10 0 CDAERP CC(C)[NH2+][C@H](CCNC(=O)C[NH+]1CCCC1)C(C)C ZINC001676180301 1174187064 /nfs/dbraw/zinc/18/70/64/1174187064.db2.gz SQXFJSQUAMNFFO-CQSZACIVSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CCCF ZINC001570653812 1170223807 /nfs/dbraw/zinc/22/38/07/1170223807.db2.gz WJQAJFYWJYRIOS-NWDGAFQWSA-N 2 0 261.385 1.169 10 0 CDAERP CCCC[NH+]1CC([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001570853952 1170302535 /nfs/dbraw/zinc/30/25/35/1170302535.db2.gz LPPFPQQAXJORQK-GFCCVEGCSA-N 2 0 255.406 1.175 10 0 CDAERP COCC[NH2+]C1CC(N(C)C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001571662995 1170513859 /nfs/dbraw/zinc/51/38/59/1170513859.db2.gz ZNUGPDFYCGURGC-UHFFFAOYSA-N 2 0 299.459 1.190 10 0 CDAERP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](C)CC1(C)C ZINC001652490921 1171443270 /nfs/dbraw/zinc/44/32/70/1171443270.db2.gz DEASZSDVHISRLX-GFCCVEGCSA-N 2 0 255.406 1.175 10 0 CDAERP C[NH+](C)CCOc1ccc(C[NH2+]CCC2(C[NH3+])CC2)cc1 ZINC000650712513 398154843 /nfs/dbraw/zinc/15/48/43/398154843.db2.gz HJEPYPJGJMOBJZ-UHFFFAOYSA-N 3 0 291.439 1.846 10 0 CDAERP COCCN(C)c1ccc(C[NH2+]CCC2(C[NH3+])CC2)cn1 ZINC000650714133 398156681 /nfs/dbraw/zinc/15/66/81/398156681.db2.gz SQPAMUKRRMMYFC-UHFFFAOYSA-N 2 0 292.427 1.383 10 0 CDAERP CC[NH+]1CCC([NH2+]Cc2ccccc2C[NH2+]C)CC1 ZINC000650720345 398160492 /nfs/dbraw/zinc/16/04/92/398160492.db2.gz MBDXXGWISYHVJS-UHFFFAOYSA-N 3 0 261.413 1.980 10 0 CDAERP CCOC(=O)CCCCN1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601335692 342555231 /nfs/dbraw/zinc/55/52/31/342555231.db2.gz XDVYJAWBIXNUHR-ZIAGYGMSSA-N 2 0 268.401 1.794 10 0 CDAERP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000623719952 342559300 /nfs/dbraw/zinc/55/93/00/342559300.db2.gz PSPVXPHGNNGCKD-DZGCQCFKSA-N 2 0 296.459 1.643 10 0 CDAERP COc1cncc(CN2CC[C@H](C[N@H+](C)CC3CC3)C2)n1 ZINC000625209239 342041109 /nfs/dbraw/zinc/04/11/09/342041109.db2.gz GDUMJUIDZLJJBT-CQSZACIVSA-N 2 0 290.411 1.649 10 0 CDAERP C[C@@H]1C[C@H]([N@H+](C)CCOC2CCOCC2)CCN1C ZINC000625214977 342041670 /nfs/dbraw/zinc/04/16/70/342041670.db2.gz XUHJKLQKWQLYAC-ZIAGYGMSSA-N 2 0 270.417 1.597 10 0 CDAERP C[C@@H](CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C(F)(F)F ZINC000625286655 342077820 /nfs/dbraw/zinc/07/78/20/342077820.db2.gz JNPFLTNUDTXVQY-NSHDSACASA-N 2 0 297.365 1.527 10 0 CDAERP C[NH+](C)CC(=O)N1CC2(C1)CC[N@H+](Cc1ccccc1)C2 ZINC000096070800 185086517 /nfs/dbraw/zinc/08/65/17/185086517.db2.gz WEUSZXBGFSHPMJ-UHFFFAOYSA-N 2 0 287.407 1.283 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)C1 ZINC000617007752 342604043 /nfs/dbraw/zinc/60/40/43/342604043.db2.gz ZPUJJPXQBBCKKX-STQMWFEESA-N 2 0 267.417 1.317 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CCCCC1 ZINC000591432347 342630138 /nfs/dbraw/zinc/63/01/38/342630138.db2.gz DERAQXVIQKJOOM-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP [NH3+]C[C@H]1C[NH2+]C[C@@H]1c1cccc(Br)c1 ZINC000096884151 185119749 /nfs/dbraw/zinc/11/97/49/185119749.db2.gz YNGRAFMVUIPXJE-GXSJLCMTSA-N 2 0 255.159 1.711 10 0 CDAERP c1ccc(C[N@@H+]2CC[C@H]3CC[NH2+]CCN3CC2)cc1 ZINC000096897784 185125857 /nfs/dbraw/zinc/12/58/57/185125857.db2.gz ACVQRCHUPDITPK-MRXNPFEDSA-N 2 0 259.397 1.556 10 0 CDAERP CCO[C@H](C[NH2+]C(C)(C)CN1CC[NH+](CC)CC1)C1CC1 ZINC000625463104 342171205 /nfs/dbraw/zinc/17/12/05/342171205.db2.gz AIIHWNGKDQURRF-MRXNPFEDSA-N 2 0 297.487 1.807 10 0 CDAERP CC(C)n1ccc(C[C@@H](C)[NH2+]CC2([NH3+])CCOCC2)n1 ZINC000629389465 361893854 /nfs/dbraw/zinc/89/38/54/361893854.db2.gz NILWOFPUDJSCPK-CYBMUJFWSA-N 2 0 280.416 1.493 10 0 CDAERP COc1ccc2c(c1)C[C@@H]([NH2+]CC1([NH3+])CCOCC1)CC2 ZINC000629387567 361900900 /nfs/dbraw/zinc/90/09/00/361900900.db2.gz JDPHYWCBNGFRST-HNNXBMFYSA-N 2 0 290.407 1.650 10 0 CDAERP [NH3+]C1(C[NH2+]Cc2cc(-n3ccnc3)cs2)CCOCC1 ZINC000629388021 361904903 /nfs/dbraw/zinc/90/49/03/361904903.db2.gz MFLDEAQUJOSALN-UHFFFAOYSA-N 2 0 292.408 1.531 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)CC(=O)Nc1cccc(F)c1 ZINC000629392156 361907371 /nfs/dbraw/zinc/90/73/71/361907371.db2.gz JAWWFHQOPIAKNV-LBPRGKRZSA-N 2 0 297.374 1.368 10 0 CDAERP COc1ccc(C[NH2+]CCOCCC[NH3+])c(OC)c1 ZINC000629397813 361929260 /nfs/dbraw/zinc/92/92/60/361929260.db2.gz CYQSZBTVRAYUBP-UHFFFAOYSA-N 2 0 268.357 1.159 10 0 CDAERP CCCn1nc(C)c(C[NH2+]CCOCCC[NH3+])c1C ZINC000629399974 361936486 /nfs/dbraw/zinc/93/64/86/361936486.db2.gz NPZXJUIWJJCZQX-UHFFFAOYSA-N 2 0 268.405 1.365 10 0 CDAERP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]CCOCCC[NH3+] ZINC000629399594 361936606 /nfs/dbraw/zinc/93/66/06/361936606.db2.gz VOELAMAKCCKUME-GFCCVEGCSA-N 2 0 297.374 1.498 10 0 CDAERP C[C@H]1C[C@H]([NH2+]CCOCCC[NH3+])CN1Cc1ccccc1 ZINC000629401597 361940680 /nfs/dbraw/zinc/94/06/80/361940680.db2.gz TXPBHHNJKONYMG-RDJZCZTQSA-N 2 0 291.439 1.604 10 0 CDAERP CSCC[C@H]([NH3+])C(=O)NCCC[N@H+](C)CC(C)C ZINC000593912677 342856263 /nfs/dbraw/zinc/85/62/63/342856263.db2.gz OPLXQKMYVZFHKU-LBPRGKRZSA-N 2 0 275.462 1.161 10 0 CDAERP COCC[N@H+](C)CCC[NH2+][C@@H]1CC[C@@H](C)SC1 ZINC000655688696 539062618 /nfs/dbraw/zinc/06/26/18/539062618.db2.gz BCLRYFPNWOONKK-CHWSQXEVSA-N 2 0 260.447 1.828 10 0 CDAERP CCOC(=O)CC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000600752744 342248263 /nfs/dbraw/zinc/24/82/63/342248263.db2.gz GTSLMYJNTNSMKX-AWEZNQCLSA-N 2 0 284.400 1.030 10 0 CDAERP COC(=O)c1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)oc1C ZINC000594616347 342928312 /nfs/dbraw/zinc/92/83/12/342928312.db2.gz YGEHSOQNDBZOFV-TXEJJXNPSA-N 2 0 280.368 1.804 10 0 CDAERP CCOC(=O)[C@H](C)[C@@H](C)[NH2+]CCC[NH+](CC)CC ZINC001658137154 1172014273 /nfs/dbraw/zinc/01/42/73/1172014273.db2.gz BFDKWZBNUSLNMO-CHWSQXEVSA-N 2 0 258.406 1.896 10 0 CDAERP C[C@H](C[NH2+][C@@H](C)CSCCF)N1CC[NH+](C)CC1 ZINC000595010031 342990333 /nfs/dbraw/zinc/99/03/33/342990333.db2.gz FLNFYMMVZLQIFW-QWHCGFSZSA-N 2 0 277.453 1.303 10 0 CDAERP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CCC1CC[NH+](C)CC1 ZINC000594920081 342986611 /nfs/dbraw/zinc/98/66/11/342986611.db2.gz MUSZBQNWWJNSJI-KWCYVHTRSA-N 2 0 268.401 1.506 10 0 CDAERP COC[C@@H]1C[N@H+](Cc2c(C)n[nH]c2C)CC12CC[NH2+]CC2 ZINC000169789994 362141435 /nfs/dbraw/zinc/14/14/35/362141435.db2.gz ZOZJRSPBSCMKTP-AWEZNQCLSA-N 2 0 292.427 1.475 10 0 CDAERP CC[NH+](CC)[C@H](C)CNc1nc(N)[nH+]c2c1CCCC2 ZINC000645121196 362134924 /nfs/dbraw/zinc/13/49/24/362134924.db2.gz VUFADPNJLYRRJR-LLVKDONJSA-N 2 0 277.416 1.332 10 0 CDAERP CC(C)n1ccc(C[C@H](C)[NH2+]CC2CC[NH2+]CC2)n1 ZINC000567462616 362134932 /nfs/dbraw/zinc/13/49/32/362134932.db2.gz XEUUYBDFNPMACK-ZDUSSCGKSA-N 2 0 264.417 1.984 10 0 CDAERP COc1cncc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000629532083 362163670 /nfs/dbraw/zinc/16/36/70/362163670.db2.gz LBUCLVHZNKUNOO-UONOGXRCSA-N 2 0 290.411 1.697 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]C[C@H](CO)Cc2ccco2)CC1(C)C ZINC000623454334 346988854 /nfs/dbraw/zinc/98/88/54/346988854.db2.gz ABXBQXPKDWIFMP-ZIAGYGMSSA-N 2 0 280.412 1.893 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000257690407 344371030 /nfs/dbraw/zinc/37/10/30/344371030.db2.gz LNQPKPJOFTZATJ-UONOGXRCSA-N 2 0 267.417 1.448 10 0 CDAERP COC1(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CCOCC1 ZINC000623469826 347080421 /nfs/dbraw/zinc/08/04/21/347080421.db2.gz SKIAARMXAKAROX-CYBMUJFWSA-N 2 0 270.417 1.644 10 0 CDAERP CC[NH+](CC)CCCNC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000618546829 344972359 /nfs/dbraw/zinc/97/23/59/344972359.db2.gz IFUCVPUGKJEMSZ-ZDUSSCGKSA-N 2 0 270.421 1.112 10 0 CDAERP O[C@H]1C[C@@H](C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000623748992 345714224 /nfs/dbraw/zinc/71/42/24/345714224.db2.gz QHIWOOAQOYIQGS-VDISTLRHSA-N 2 0 258.325 1.128 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000623903303 345729737 /nfs/dbraw/zinc/72/97/37/345729737.db2.gz BSSOTGYPVLFVQW-RRFJBIMHSA-N 2 0 272.433 1.890 10 0 CDAERP [NH3+]C[C@](O)(C[N@@H+]1CCC[C@@H]1C1CCCC1)C1CC1 ZINC000085300970 179010551 /nfs/dbraw/zinc/01/05/51/179010551.db2.gz NRGQEKAMGVZSAD-CABCVRRESA-N 2 0 252.402 1.741 10 0 CDAERP CC(C)[C@@H]1CCC[N@H+](C[C@@](O)(C[NH3+])C2CC2)CC1 ZINC000085301888 179010373 /nfs/dbraw/zinc/01/03/73/179010373.db2.gz AKSGXGLNWHRILH-HIFRSBDPSA-N 2 0 254.418 1.844 10 0 CDAERP C[C@@H]1CC[NH2+][C@H](C2CC2)C[N@@H+]1CCCn1ccnc1 ZINC000085626122 179106835 /nfs/dbraw/zinc/10/68/35/179106835.db2.gz CXVBZSQRRKZJEN-HIFRSBDPSA-N 2 0 262.401 1.736 10 0 CDAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)c3c[nH+]ccc3N)CC[C@H]21 ZINC000227532730 346529856 /nfs/dbraw/zinc/52/98/56/346529856.db2.gz BKDHECITXMMPDT-BXUZGUMPSA-N 2 0 274.368 1.220 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC[C@H]2O)CC1(C)C ZINC000623428547 346582997 /nfs/dbraw/zinc/58/29/97/346582997.db2.gz OJBKUFZMSMVJHN-MELADBBJSA-N 2 0 254.418 2.000 10 0 CDAERP COCCOC[C@H](C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623431413 346633445 /nfs/dbraw/zinc/63/34/45/346633445.db2.gz DDGSVWCQXPDKQK-STQMWFEESA-N 2 0 258.406 1.500 10 0 CDAERP CCCC[C@@H](C[NH3+])NC(=O)NCC1([NH3+])CCCCCC1 ZINC000418288595 370657979 /nfs/dbraw/zinc/65/79/79/370657979.db2.gz WLVMVPJDUHVBPI-ZDUSSCGKSA-N 2 0 284.448 1.855 10 0 CDAERP C[N@@H+]1CC[C@@H](CN2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000086141906 179236588 /nfs/dbraw/zinc/23/65/88/179236588.db2.gz AATPJYCEOFYBKV-ZBFHGGJFSA-N 2 0 259.397 1.585 10 0 CDAERP CC(C)[C@@H]1C[NH2+][C@H](C2CC2)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086182559 179247474 /nfs/dbraw/zinc/24/74/74/179247474.db2.gz VYPPCMCAPKSMDW-YESZJQIVSA-N 2 0 277.456 1.789 10 0 CDAERP CC[C@@H]1C[NH2+][C@](C)(CC)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086182617 179247839 /nfs/dbraw/zinc/24/78/39/179247839.db2.gz ZNGHGLNDWWUJCW-BZUAXINKSA-N 2 0 265.445 1.933 10 0 CDAERP C[N@@H+]1CC[C@H](NC[C@H]2CCC[NH+]2CCCO)CC1(C)C ZINC000623535800 347619968 /nfs/dbraw/zinc/61/99/68/347619968.db2.gz FZRBYBQGRZXVDL-LSDHHAIUSA-N 2 0 283.460 1.296 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2CCC(O)CC2)CC1(C)C ZINC000623572755 347639424 /nfs/dbraw/zinc/63/94/24/347639424.db2.gz MSLKNKXKSTWICU-MOKVOYLWSA-N 2 0 254.418 2.000 10 0 CDAERP CCC[C@@H](C)[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000066962069 349008164 /nfs/dbraw/zinc/00/81/64/349008164.db2.gz ZXPWPNIHXPEPAG-CYBMUJFWSA-N 2 0 281.444 1.850 10 0 CDAERP C[C@H]([NH3+])C1CC[NH+](Cc2cn3ccccc3n2)CC1 ZINC000104444667 186005431 /nfs/dbraw/zinc/00/54/31/186005431.db2.gz SXEDJGOTQMMTMP-LBPRGKRZSA-N 2 0 258.369 1.894 10 0 CDAERP Cn1nccc1[C@H]1CCC[C@H]([NH2+]CCOCCC[NH3+])C1 ZINC000629540757 362963389 /nfs/dbraw/zinc/96/33/89/362963389.db2.gz XKOAILGGATWSIW-KBPBESRZSA-N 2 0 280.416 1.401 10 0 CDAERP C(CC[NH+]1CCOCC1)C[NH2+]C[C@H]1CCSC1 ZINC000486968056 365987324 /nfs/dbraw/zinc/98/73/24/365987324.db2.gz IQKWMINFDCDAHQ-CYBMUJFWSA-N 2 0 258.431 1.442 10 0 CDAERP CCn1nccc1CC[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000621776323 350772670 /nfs/dbraw/zinc/77/26/70/350772670.db2.gz JARYHZZOOPGQTF-MJBXVCDLSA-N 2 0 264.417 1.751 10 0 CDAERP CC1(C)OCC[C@@H]1[NH2+]C/C=C\C[NH2+][C@H]1CCOC1(C)C ZINC000451246917 363006419 /nfs/dbraw/zinc/00/64/19/363006419.db2.gz WXEBPYQQQZBKIU-LAWSMPECSA-N 2 0 282.428 1.857 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)CCOc1cccc(C)c1 ZINC000629568323 363019091 /nfs/dbraw/zinc/01/90/91/363019091.db2.gz SZBXNQLTOVOZTN-UHFFFAOYSA-N 2 0 266.385 1.542 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)[C@H](C)C(=O)N(C(C)C)C(C)C ZINC000629568934 363020878 /nfs/dbraw/zinc/02/08/78/363020878.db2.gz MWTFUIPAXPPMAE-CQSZACIVSA-N 2 0 287.448 1.188 10 0 CDAERP O=C1CN(CCC2CC[NH2+]CC2)Cc2ccccc2N1 ZINC000569744241 363021817 /nfs/dbraw/zinc/02/18/17/363021817.db2.gz LNXWYJRFGLLMCA-UHFFFAOYSA-N 2 0 273.380 1.830 10 0 CDAERP O[C@@H]1CCN(CC[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)C1 ZINC000623758623 351271276 /nfs/dbraw/zinc/27/12/76/351271276.db2.gz JBOYXJPNPLUMHW-CAOSSQGBSA-N 2 0 282.428 1.238 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCC(=O)NC1CCCC1)C2 ZINC000629584686 363050711 /nfs/dbraw/zinc/05/07/11/363050711.db2.gz DGBQXMRMDJKCCY-IYBDPMFKSA-N 2 0 279.428 1.367 10 0 CDAERP CCC[NH2+]CCNC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000418459539 535166712 /nfs/dbraw/zinc/16/67/12/535166712.db2.gz JCAOMDFPWIZFIT-LBPRGKRZSA-N 2 0 278.400 1.505 10 0 CDAERP O=C(NC1CC[NH+](CC2CC2)CC1)N[C@H]1CCCC[NH2+]C1 ZINC000333941631 363242800 /nfs/dbraw/zinc/24/28/00/363242800.db2.gz PEFNSSZRGZJZQA-HNNXBMFYSA-N 2 0 294.443 1.302 10 0 CDAERP [NH3+]C[C@H]1CN(CC2(C[NH3+])CC2)CC[C@H]1C(F)(F)F ZINC000629652835 363251940 /nfs/dbraw/zinc/25/19/40/363251940.db2.gz BKTDKYNAHFLJSB-VHSXEESVSA-N 2 0 265.323 1.184 10 0 CDAERP CC(C)(C)c1cnc(C[NH2+]CCOCCC[NH3+])s1 ZINC000629681990 363331405 /nfs/dbraw/zinc/33/14/05/363331405.db2.gz WYPHTBFGRSVPMR-UHFFFAOYSA-N 2 0 271.430 1.896 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC[NH2+]1 ZINC000262332761 291046071 /nfs/dbraw/zinc/04/60/71/291046071.db2.gz FROWKSOLCUWYQP-CYDGBPFRSA-N 2 0 253.390 1.008 10 0 CDAERP COC1(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)CCC1 ZINC000336187647 356013512 /nfs/dbraw/zinc/01/35/12/356013512.db2.gz NMAVUAYUSRZGDW-ZIAGYGMSSA-N 2 0 252.402 1.972 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)[C@@H]2CCC[C@@H]21 ZINC000453323716 283136220 /nfs/dbraw/zinc/13/62/20/283136220.db2.gz BHXXHSIQKDHZNL-QEOTZNIISA-N 2 0 293.455 1.312 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)CCOC2)[C@H]2CCC[C@H]21 ZINC000353534698 283139069 /nfs/dbraw/zinc/13/90/69/283139069.db2.gz ZAQJUGKMOYBSGP-BARDWOONSA-N 2 0 252.402 1.875 10 0 CDAERP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CC[NH+]2CCC1CC2 ZINC000336565304 356211299 /nfs/dbraw/zinc/21/12/99/356211299.db2.gz MGEQLAQWYBCCLP-INIZCTEOSA-N 2 0 291.439 1.700 10 0 CDAERP COc1cc(C[NH2+]C[C@H]2CCCN2C)cc2c1OCCO2 ZINC000221151477 356198101 /nfs/dbraw/zinc/19/81/01/356198101.db2.gz GYXWIJMDOQJELJ-CYBMUJFWSA-N 2 0 292.379 1.650 10 0 CDAERP CCN(C(=O)[C@@H]1CCn2cc(C)nc2C1)[C@H]1CC[N@H+](C)C1 ZINC000628053742 356455962 /nfs/dbraw/zinc/45/59/62/356455962.db2.gz IBGRPPWWTXTVBO-KGLIPLIRSA-N 2 0 290.411 1.307 10 0 CDAERP CC[C@@H](C)C[C@H]([NH3+])CNc1ccnn1C1C[NH2+]C1 ZINC000725258639 538452953 /nfs/dbraw/zinc/45/29/53/538452953.db2.gz VNNYQGGZPAVFPT-MNOVXSKESA-N 2 0 251.378 1.203 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1(C)C ZINC000636093723 363494071 /nfs/dbraw/zinc/49/40/71/363494071.db2.gz YPXDJLUIMUAYII-XQQFMLRXSA-N 2 0 267.417 1.316 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@H+]([C@@H]2C[C@@H]([NH3+])C23CCOCC3)C1 ZINC000725264371 538455694 /nfs/dbraw/zinc/45/56/94/538455694.db2.gz JBBTWCBICOVLJG-XJFOESAGSA-N 2 0 252.402 1.861 10 0 CDAERP CCC[NH+]1CCC(C[NH2+]C[C@H](O)C[C@@](C)(O)C2CC2)CC1 ZINC000634700450 357371012 /nfs/dbraw/zinc/37/10/12/357371012.db2.gz AELVZFWVNKBNMK-IAGOWNOFSA-N 2 0 298.471 1.610 10 0 CDAERP CC[C@H](C)C[N@H+](CC)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001660502493 1172221602 /nfs/dbraw/zinc/22/16/02/1172221602.db2.gz SCDVIYPLOQDRRJ-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)c1c[nH+]ccc1N(C)C ZINC000183509703 357461285 /nfs/dbraw/zinc/46/12/85/357461285.db2.gz LKVKMKBNMAJAGF-GFCCVEGCSA-N 2 0 278.400 1.608 10 0 CDAERP O[C@H]1CCC[C@@H]1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000089159248 357483837 /nfs/dbraw/zinc/48/38/37/357483837.db2.gz XGRFSEGGYJTCQG-CJNGLKHVSA-N 2 0 275.396 1.801 10 0 CDAERP CCOC(=O)[C@H](CC)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000084105291 357567965 /nfs/dbraw/zinc/56/79/65/357567965.db2.gz WFIORYKVPXXPMC-IHRRRGAJSA-N 2 0 268.401 1.792 10 0 CDAERP C[C@@H](CNC(=O)N1CCc2ccccc2[C@H]1C[NH3+])[NH+](C)C ZINC000573088060 357646438 /nfs/dbraw/zinc/64/64/38/357646438.db2.gz DAMCPTNFJPHEFL-SWLSCSKDSA-N 2 0 290.411 1.204 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000091543198 357717689 /nfs/dbraw/zinc/71/76/89/357717689.db2.gz WKSWYZQITCBPTF-GJZGRUSLSA-N 2 0 281.444 1.694 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+](C)C[C@@H]2C(C)C)C1 ZINC000157386827 358003832 /nfs/dbraw/zinc/00/38/32/358003832.db2.gz YVVUUKCYWBKNNH-HUUCEWRRSA-N 2 0 296.459 1.452 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000349115573 283337999 /nfs/dbraw/zinc/33/79/99/283337999.db2.gz DFLHKHVORPGZHA-HNNXBMFYSA-N 2 0 281.444 1.661 10 0 CDAERP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634761949 358427354 /nfs/dbraw/zinc/42/73/54/358427354.db2.gz MUXGKBYKXRVAFI-UTUOFQBUSA-N 2 0 255.406 1.254 10 0 CDAERP C[NH2+][C@H](C)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000054073897 358702097 /nfs/dbraw/zinc/70/20/97/358702097.db2.gz WUKQQZRWSIQWQW-LLVKDONJSA-N 2 0 265.357 1.173 10 0 CDAERP CC[NH+]1CCC(N2CCC[N@H+](C[C@@H](C)COC)CC2)CC1 ZINC000569588118 358649120 /nfs/dbraw/zinc/64/91/20/358649120.db2.gz CCUFCKOWOPJBEU-MRXNPFEDSA-N 2 0 297.487 1.761 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054291672 358710875 /nfs/dbraw/zinc/71/08/75/358710875.db2.gz RQTQWLSSCVPRAH-UONOGXRCSA-N 2 0 269.433 1.469 10 0 CDAERP O=C(C[C@H]1CCC[NH2+]C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062973194 358814891 /nfs/dbraw/zinc/81/48/91/358814891.db2.gz OZIWLODSXFQYMF-KGLIPLIRSA-N 2 0 265.401 1.073 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000262902841 359196813 /nfs/dbraw/zinc/19/68/13/359196813.db2.gz DTGMCTONEMFKNF-FMKPAKJESA-N 2 0 281.444 1.885 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000422999568 359708679 /nfs/dbraw/zinc/70/86/79/359708679.db2.gz SRKDFOMWKAGFEC-JKSUJKDBSA-N 3 0 285.476 1.698 10 0 CDAERP CC[C@H](C(=O)NCc1ccc2c[nH+]cn2c1)[NH+](C)C ZINC000297398396 200175587 /nfs/dbraw/zinc/17/55/87/200175587.db2.gz XKZZKRCJQYMPEH-CYBMUJFWSA-N 2 0 260.341 1.291 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](C[C@@H](O)COC)CC1 ZINC000347996261 359759084 /nfs/dbraw/zinc/75/90/84/359759084.db2.gz LRYAOTMUIDBANY-CQSZACIVSA-N 2 0 258.406 1.048 10 0 CDAERP COC[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)C(C)C ZINC000423501175 359825799 /nfs/dbraw/zinc/82/57/99/359825799.db2.gz CRGWUFUVKKQIRF-GPANFISMSA-N 2 0 283.460 1.463 10 0 CDAERP CC[NH+](CC)CC1CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC000336798923 359855936 /nfs/dbraw/zinc/85/59/36/359855936.db2.gz GVIGNXJJWWVRGA-CQSZACIVSA-N 2 0 267.417 1.319 10 0 CDAERP OC1(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)CCC1 ZINC000336825220 359892530 /nfs/dbraw/zinc/89/25/30/359892530.db2.gz XQOLVOAGZACTNG-UHFFFAOYSA-N 2 0 282.428 1.336 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C[NH3+])c2ccccc2)C1 ZINC000061612560 359913347 /nfs/dbraw/zinc/91/33/47/359913347.db2.gz FGGDTQHEBOMESC-GJZGRUSLSA-N 2 0 275.396 1.329 10 0 CDAERP CC(C)[NH+](CCCNC(=O)C[N@@H+](C)C(C)C)C1CC1 ZINC001660752655 1172270014 /nfs/dbraw/zinc/27/00/14/1172270014.db2.gz FIRSIKGUWWSBNU-UHFFFAOYSA-N 2 0 269.433 1.706 10 0 CDAERP [NH3+]CCN1CCOC[C@H](c2cccc3ncccc32)C1 ZINC000616593206 359936765 /nfs/dbraw/zinc/93/67/65/359936765.db2.gz IJKOHUUVUDVUKW-CYBMUJFWSA-N 2 0 271.364 1.609 10 0 CDAERP Cc1cc(C[NH3+])cc(NC(=O)NCCNc2cc[nH+]cc2)c1 ZINC000424432044 360055716 /nfs/dbraw/zinc/05/57/16/360055716.db2.gz HDJPSWDYZWUXEX-UHFFFAOYSA-N 2 0 299.378 1.504 10 0 CDAERP C(CC1CC[NH+]([C@@H]2CCOC2)CC1)C[NH+]1CCOCC1 ZINC000348385937 360075558 /nfs/dbraw/zinc/07/55/58/360075558.db2.gz NQPHFMNRIFDNBR-MRXNPFEDSA-N 2 0 282.428 1.600 10 0 CDAERP CCC(C)(C)NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063201031 360084985 /nfs/dbraw/zinc/08/49/85/360084985.db2.gz INXXKGIYZIDSHZ-CQSZACIVSA-N 2 0 281.444 1.755 10 0 CDAERP Cc1ncc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)o1 ZINC000628201646 360239555 /nfs/dbraw/zinc/23/95/55/360239555.db2.gz OQDDMZOKGHSMJF-UHFFFAOYSA-N 2 0 266.389 1.099 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000261574022 360415174 /nfs/dbraw/zinc/41/51/74/360415174.db2.gz WPQQQQGPYBAZTO-QWHCGFSZSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@H]1CN(C(=O)CN2CC(C)(C)C2)CC[N@@H+](C2CCC2)C1 ZINC000515432459 360497230 /nfs/dbraw/zinc/49/72/30/360497230.db2.gz DPBDGGFXZAPYJF-CQSZACIVSA-N 2 0 293.455 1.661 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)NCC[NH+]1CCCC[C@@H]1C ZINC000112384603 360508495 /nfs/dbraw/zinc/50/84/95/360508495.db2.gz FHTFUINBTJUBFS-HNNXBMFYSA-N 2 0 298.475 1.892 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000335073910 296017072 /nfs/dbraw/zinc/01/70/72/296017072.db2.gz QJCODFQTAZKKQD-NEPJUHHUSA-N 2 0 253.390 1.104 10 0 CDAERP COc1cccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1OC ZINC000635000196 360639964 /nfs/dbraw/zinc/63/99/64/360639964.db2.gz JDNDDFMUULSUCC-DGCLKSJQSA-N 2 0 264.369 1.730 10 0 CDAERP CN1CC[NH+](CC2(C)CC[NH+](CC3(O)CCC3)CC2)CC1 ZINC000348832965 360655554 /nfs/dbraw/zinc/65/55/54/360655554.db2.gz KVZWHQJCWLMKKV-UHFFFAOYSA-N 2 0 295.471 1.251 10 0 CDAERP CC(C)COCC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001660842569 1172288098 /nfs/dbraw/zinc/28/80/98/1172288098.db2.gz YMELHEKFOMGQFS-HNNXBMFYSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000582181700 361021377 /nfs/dbraw/zinc/02/13/77/361021377.db2.gz KRIIPVTZHHDKKG-INMHGKMJSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@@H]([NH3+])c1ccc(C(=O)N2CCC[C@H]2C[NH+](C)C)cc1 ZINC000423747566 296029719 /nfs/dbraw/zinc/02/97/19/296029719.db2.gz SPGDKHNOOPVDDA-DOMZBBRYSA-N 2 0 275.396 1.873 10 0 CDAERP C[C@H]1C[N@H+](CCC[NH2+][C@@H]2CCCSC2)CCCO1 ZINC000432359485 361156452 /nfs/dbraw/zinc/15/64/52/361156452.db2.gz QQNLBEUPEOCQQB-UONOGXRCSA-N 2 0 272.458 1.973 10 0 CDAERP C[N@@H+]1CC[C@H](NC[C@@H]2C[C@H](F)C[NH2+]2)[C@H]2CCC[C@@H]21 ZINC000643538846 361224875 /nfs/dbraw/zinc/22/48/75/361224875.db2.gz XPIWIQCKPBAMNR-HPCHECBXSA-N 2 0 255.381 1.149 10 0 CDAERP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000636204357 363746886 /nfs/dbraw/zinc/74/68/86/363746886.db2.gz MDCKLWVUQGQYTM-CABCVRRESA-N 2 0 281.444 1.565 10 0 CDAERP C[C@H](C[NH3+])NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000417937721 361424521 /nfs/dbraw/zinc/42/45/21/361424521.db2.gz IRTWAGGMBFJONX-BNOWGMLFSA-N 2 0 276.384 1.078 10 0 CDAERP CCOC(=O)COCC[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000351494789 361713779 /nfs/dbraw/zinc/71/37/79/361713779.db2.gz ZNJNMXKRZLHXLS-UHFFFAOYSA-N 2 0 286.416 1.371 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCCCC[NH+](C)C1CC1 ZINC000457205467 363954884 /nfs/dbraw/zinc/95/48/84/363954884.db2.gz RAACWJUPVIPBTF-HNNXBMFYSA-N 2 0 281.444 1.851 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCN2CCOCC2(C)C)[C@@H]2CCC[C@H]21 ZINC000367598818 364529038 /nfs/dbraw/zinc/52/90/38/364529038.db2.gz GLMKLXNBTCAGML-HRCADAONSA-N 2 0 295.471 1.560 10 0 CDAERP C[C@@H](NC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[C@H](C)[NH3+] ZINC000417240902 296076813 /nfs/dbraw/zinc/07/68/13/296076813.db2.gz QLFRVIROSCFXSJ-FRRDWIJNSA-N 2 0 284.448 1.532 10 0 CDAERP COCC[N@@H+]1CC[C@@H](NC(=O)CC[C@H]2CCCC[NH+]2C)C1 ZINC000353438845 365206749 /nfs/dbraw/zinc/20/67/49/365206749.db2.gz CJMGDGLTIVFCSV-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H]3CCC[C@H]31)CC2 ZINC000353497941 365256452 /nfs/dbraw/zinc/25/64/52/365256452.db2.gz QPPWIFRSACRSKI-BARDWOONSA-N 2 0 289.427 1.364 10 0 CDAERP CCn1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1=O ZINC000353603108 365327860 /nfs/dbraw/zinc/32/78/60/365327860.db2.gz FUZRGJBIPRQKSX-ARFHVFGLSA-N 2 0 289.423 1.831 10 0 CDAERP Cn1cnc(CC[NH2+][C@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000414130385 241079993 /nfs/dbraw/zinc/07/99/93/241079993.db2.gz WSWHBOUYVSLVHD-ILXRZTDVSA-N 2 0 262.401 1.425 10 0 CDAERP COc1ccc(OC)c(C[NH2+]CCCN2CC[NH2+]CC2)c1 ZINC000414778699 241383047 /nfs/dbraw/zinc/38/30/47/241383047.db2.gz IJPRDAVTIXAPIB-UHFFFAOYSA-N 2 0 293.411 1.089 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000626974908 367118817 /nfs/dbraw/zinc/11/88/17/367118817.db2.gz NDNNADHABCWFSW-MGPQQGTHSA-N 2 0 282.432 1.301 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)C[NH2+]1 ZINC000627020556 367244552 /nfs/dbraw/zinc/24/45/52/367244552.db2.gz IYONJRQEJZPYLR-UMVBOHGHSA-N 2 0 294.443 1.443 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627041895 367286309 /nfs/dbraw/zinc/28/63/09/367286309.db2.gz RWTWCXCHRDLAMF-ZIAGYGMSSA-N 2 0 296.459 1.691 10 0 CDAERP C[NH2+]Cc1ccc(NC(=O)COC2CCC([NH3+])CC2)cc1 ZINC000572525015 367309788 /nfs/dbraw/zinc/30/97/88/367309788.db2.gz AHZDFGJYBLROSJ-UHFFFAOYSA-N 2 0 291.395 1.631 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627116707 367480848 /nfs/dbraw/zinc/48/08/48/367480848.db2.gz PHCPRUFDEBOMEC-YUELXQCFSA-N 2 0 282.432 1.001 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000627162150 367592382 /nfs/dbraw/zinc/59/23/82/367592382.db2.gz FLRFSNVFTYYFQX-UONOGXRCSA-N 2 0 296.459 1.548 10 0 CDAERP C[NH+]1CCC(CCNC(=O)[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000234321030 367608673 /nfs/dbraw/zinc/60/86/73/367608673.db2.gz LSQUPIOGQJWZLU-CQSZACIVSA-N 2 0 281.444 1.613 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417003296 242260109 /nfs/dbraw/zinc/26/01/09/242260109.db2.gz GYMVVFWJRIOTCW-JKXDFHQYSA-N 2 0 296.459 1.641 10 0 CDAERP C[C@@H](CNC(=O)NCC[C@@H]1CCC[NH2+]C1)C[NH+]1CCCC1 ZINC000417157300 242339630 /nfs/dbraw/zinc/33/96/30/242339630.db2.gz MZYBHWRAKIEQMN-GJZGRUSLSA-N 2 0 296.459 1.407 10 0 CDAERP C[C@H]1CC[C@@H](NC(=O)N(C)CCC[NH+]2CCCC2)C[NH2+]1 ZINC000627203749 367697079 /nfs/dbraw/zinc/69/70/79/367697079.db2.gz QDESTZBIZQOCLG-UONOGXRCSA-N 2 0 282.432 1.254 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N2CCCC23CC[NH+](C)CC3)C[NH2+]1 ZINC000627203113 367699549 /nfs/dbraw/zinc/69/95/49/367699549.db2.gz UXHWEPBSXVDBGF-KGLIPLIRSA-N 2 0 294.443 1.397 10 0 CDAERP C[NH+](C)C[C@@H](NC(=O)C1=CC[C@H]([NH3+])C1)c1ccccc1 ZINC000638052870 367810576 /nfs/dbraw/zinc/81/05/76/367810576.db2.gz BRQPWQKZDWBLLJ-LSDHHAIUSA-N 2 0 273.380 1.453 10 0 CDAERP O=C(CCC1C[NH2+]C1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638051877 367815937 /nfs/dbraw/zinc/81/59/37/367815937.db2.gz UKXWSSCCIGRWNF-MRXNPFEDSA-N 2 0 287.407 1.377 10 0 CDAERP C[C@@H]([C@H](C)[NH2+]CC(=O)N1CC[NH2+]CC1)C1CCCCC1 ZINC000567102468 370880826 /nfs/dbraw/zinc/88/08/26/370880826.db2.gz CEVIDQLJTINLGU-KBPBESRZSA-N 2 0 281.444 1.613 10 0 CDAERP [NH3+][C@@H]1CC=C(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000638048833 367805239 /nfs/dbraw/zinc/80/52/39/367805239.db2.gz UQZMBMBEJYVPIJ-MRXNPFEDSA-N 2 0 299.418 1.815 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638054170 367836655 /nfs/dbraw/zinc/83/66/55/367836655.db2.gz CVKYVSPFXUKWNO-OCCSQVGLSA-N 2 0 265.401 1.415 10 0 CDAERP CC(C)[NH+](C/C=C/C[N@@H+](C[C@H](C)O)C(C)C)C[C@H](C)O ZINC000340148690 367993090 /nfs/dbraw/zinc/99/30/90/367993090.db2.gz AKBSJNGOPGODBR-HABDOHHLSA-N 2 0 286.460 1.725 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H](C[NH3+])C2CC2)cc1 ZINC000418403860 243035418 /nfs/dbraw/zinc/03/54/18/243035418.db2.gz PVDGTDZDWQMVLD-IINYFYTJSA-N 2 0 276.384 1.243 10 0 CDAERP CC(C)C[C@H](C[NH3+])NC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000418421960 243057514 /nfs/dbraw/zinc/05/75/14/243057514.db2.gz AGDFZXCTXSIREL-IUODEOHRSA-N 2 0 292.427 1.879 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)NC[C@H]([NH3+])c2ccccc2)CC[NH2+]1 ZINC000418442768 243082733 /nfs/dbraw/zinc/08/27/33/243082733.db2.gz DZTHYRCZHDLVDO-XBFCOCLRSA-N 2 0 276.384 1.126 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)NC(C)(C)C[NH+](C)C)cc1 ZINC000418461441 243105535 /nfs/dbraw/zinc/10/55/35/243105535.db2.gz LRMIODPDSSDZHB-GFCCVEGCSA-N 2 0 292.427 1.846 10 0 CDAERP CCCN(CC[NH+]1CCCC1)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000418583036 243237086 /nfs/dbraw/zinc/23/70/86/243237086.db2.gz WHKBQWVUSMMUDB-CABCVRRESA-N 2 0 296.459 1.502 10 0 CDAERP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C12CCC[NH+](CCC1)C2 ZINC000638147661 368559338 /nfs/dbraw/zinc/55/93/38/368559338.db2.gz XQNDWVRUHKBNDO-QWHCGFSZSA-N 2 0 265.401 1.058 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000418719477 243373428 /nfs/dbraw/zinc/37/34/28/243373428.db2.gz JEIGSGCASQNZNE-VXGBXAGGSA-N 2 0 270.421 1.238 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000070552117 368745450 /nfs/dbraw/zinc/74/54/50/368745450.db2.gz UDYJIXVMCHWHBW-CYBMUJFWSA-N 2 0 287.407 1.402 10 0 CDAERP C[C@@H](CCC[NH3+])NC(=O)C12CCC[NH+](CCC1)C2 ZINC000638251898 368934590 /nfs/dbraw/zinc/93/45/90/368934590.db2.gz MLTNXYNSSBOEKZ-LBPRGKRZSA-N 2 0 253.390 1.106 10 0 CDAERP CC[NH2+][C@@H](C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638272574 369041336 /nfs/dbraw/zinc/04/13/36/369041336.db2.gz SJFAYWXKLMXVPS-GOEBONIOSA-N 2 0 289.423 1.717 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)CCC1C[NH2+]C1 ZINC000638273134 369063538 /nfs/dbraw/zinc/06/35/38/369063538.db2.gz YBPPYIVXZXSBAW-UHFFFAOYSA-N 2 0 255.406 1.032 10 0 CDAERP [NH3+][C@H](c1cn(CC[NH+]2CCCC2)nn1)c1ccc(F)cc1 ZINC000630617428 369421274 /nfs/dbraw/zinc/42/12/74/369421274.db2.gz CCGLZNOWFWDQGN-HNNXBMFYSA-N 2 0 289.358 1.561 10 0 CDAERP CSCC[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000368441516 369477914 /nfs/dbraw/zinc/47/79/14/369477914.db2.gz FCBWKZULEKTREF-ZDUSSCGKSA-N 2 0 257.447 1.061 10 0 CDAERP C[C@@H](C(=O)N(C)CCC[NH+](C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000548048170 369733199 /nfs/dbraw/zinc/73/31/99/369733199.db2.gz YJYDFLVKWSXQDG-MJBXVCDLSA-N 2 0 269.433 1.658 10 0 CDAERP C[C@H](C[NH+]1CCC(n2ccnc2)CC1)CS(C)(=O)=O ZINC000119089286 369970074 /nfs/dbraw/zinc/97/00/74/369970074.db2.gz POLJBXJLUJWWQQ-GFCCVEGCSA-N 2 0 285.413 1.201 10 0 CDAERP CCC[C@@H](C(=O)NC[C@@H]1CC[N@H+](CC)C1)[NH+](C)C ZINC000137586397 369926936 /nfs/dbraw/zinc/92/69/36/369926936.db2.gz HCLSGGLEJFFRBW-STQMWFEESA-N 2 0 255.406 1.175 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC000638431361 370030395 /nfs/dbraw/zinc/03/03/95/370030395.db2.gz UGIZNMGYZDXUET-CYBMUJFWSA-N 2 0 267.417 1.352 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)NCC[NH+]2CCC[C@@H](C)C2)C1 ZINC000249760956 370183078 /nfs/dbraw/zinc/18/30/78/370183078.db2.gz LIJRIMFMLMWJAX-CABCVRRESA-N 2 0 296.459 1.502 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000564726190 370248418 /nfs/dbraw/zinc/24/84/18/370248418.db2.gz JXQMBIBQHISOJZ-SWLSCSKDSA-N 2 0 287.407 1.712 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CSc2ccccc2O1 ZINC000564988972 370318367 /nfs/dbraw/zinc/31/83/67/370318367.db2.gz HWAGWCPUFITEKT-QWHCGFSZSA-N 2 0 296.436 1.883 10 0 CDAERP C[NH+](C)[C@H]1CCCN(C(=O)c2c[nH+]ccc2N)CC1 ZINC000564993477 370320208 /nfs/dbraw/zinc/32/02/08/370320208.db2.gz YVTFXBGJUROUGZ-NSHDSACASA-N 2 0 262.357 1.050 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000565487930 370459104 /nfs/dbraw/zinc/45/91/04/370459104.db2.gz GCVFMGMDVPNEAQ-GASCZTMLSA-N 2 0 287.407 1.259 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N2CCC3(CC[NH2+]3)CC2)cc1 ZINC000565715515 370514429 /nfs/dbraw/zinc/51/44/29/370514429.db2.gz BFMYXKAFGSNAGW-UHFFFAOYSA-N 2 0 259.353 1.113 10 0 CDAERP O=C1CCCN1CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422766134 245230083 /nfs/dbraw/zinc/23/00/83/245230083.db2.gz LJVNCPZGWCWGCI-ZNMIVQPWSA-N 2 0 279.428 1.509 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCN1c2ccccc2C[C@H]1C ZINC000422765869 245231640 /nfs/dbraw/zinc/23/16/40/245231640.db2.gz PMQSOLFJVIEQFX-ZBFHGGJFSA-N 2 0 291.439 1.781 10 0 CDAERP C[NH+](C)Cc1cc(CNC(=O)[C@]2(F)CC[NH2+]C2)ccc1F ZINC000376200358 371137706 /nfs/dbraw/zinc/13/77/06/371137706.db2.gz UKDNSFFALJQLKV-HNNXBMFYSA-N 2 0 297.349 1.205 10 0 CDAERP Cc1nccnc1CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000340488189 371117049 /nfs/dbraw/zinc/11/70/49/371117049.db2.gz GEYAACYQKXVZPC-BMFZPTHFSA-N 2 0 274.412 1.790 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCc1ccc(-n2cccn2)cc1 ZINC000422818290 245294156 /nfs/dbraw/zinc/29/41/56/245294156.db2.gz FZXOZVPYHWCIBD-HZPDHXFCSA-N 2 0 270.380 1.884 10 0 CDAERP [NH3+][C@@H](CCC(=O)N1CCC2(CC[NH2+]2)CC1)c1ccccc1 ZINC000572840855 371316329 /nfs/dbraw/zinc/31/63/29/371316329.db2.gz ZWMABHFRGCXSOW-HNNXBMFYSA-N 2 0 287.407 1.821 10 0 CDAERP C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000573850508 371681914 /nfs/dbraw/zinc/68/19/14/371681914.db2.gz QUUCUOKRCKTZMQ-OLZOCXBDSA-N 2 0 267.417 1.223 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)NCC2CC[NH2+]CC2)CC1 ZINC000580532120 371856792 /nfs/dbraw/zinc/85/67/92/371856792.db2.gz KMIHZHSONPLTIK-UHFFFAOYSA-N 2 0 296.459 1.407 10 0 CDAERP CCOC(=O)CCC[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000174780791 371953669 /nfs/dbraw/zinc/95/36/69/371953669.db2.gz WSWMBYJCRCOLKN-ZIAGYGMSSA-N 2 0 270.417 1.992 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C[Si](C)(C)C)CC1 ZINC000171922085 372253958 /nfs/dbraw/zinc/25/39/58/372253958.db2.gz VPINPILEWGLKNW-OAHLLOKOSA-N 2 0 283.536 1.966 10 0 CDAERP C[C@H]([NH2+][C@H](c1ccccc1)[C@H]1CCOC1)C1C[NH2+]C1 ZINC000422989106 245472336 /nfs/dbraw/zinc/47/23/36/245472336.db2.gz LRNCTZFWHSCWOW-DUVNUKRYSA-N 2 0 260.381 1.962 10 0 CDAERP Cc1cn2cc(NC(=O)N[C@H]3CCCC[NH2+]C3)ccc2n1 ZINC000333121246 205046384 /nfs/dbraw/zinc/04/63/84/205046384.db2.gz IFEZDIWVACERPY-LBPRGKRZSA-N 2 0 287.367 1.906 10 0 CDAERP CCC[C@](C)([NH3+])C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062942945 373205403 /nfs/dbraw/zinc/20/54/03/373205403.db2.gz FIMMJWSIHNRZNN-OCCSQVGLSA-N 2 0 253.390 1.201 10 0 CDAERP C[C@@H]1CN([C@@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@@]1(C)C[NH3+] ZINC000385482629 373255088 /nfs/dbraw/zinc/25/50/88/373255088.db2.gz GIFOCQFPGMKEHT-LXTVHRRPSA-N 2 0 251.418 1.530 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)N(C)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1C ZINC000341208361 373408221 /nfs/dbraw/zinc/40/82/21/373408221.db2.gz UPOGWRJBQBGLRU-BARDWOONSA-N 2 0 296.459 1.593 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]2CN(Cc3nc(CC4CC4)no3)C[C@H]21 ZINC000631824135 373708662 /nfs/dbraw/zinc/70/86/62/373708662.db2.gz XJOKPEUISKFQNU-JHJVBQTASA-N 2 0 276.384 1.581 10 0 CDAERP C[C@@H]1C[N@H+](CCOCCOc2ccccc2)C[C@H]1C[NH3+] ZINC000631841229 373828839 /nfs/dbraw/zinc/82/88/39/373828839.db2.gz HZXQLAFWPKNLQO-HUUCEWRRSA-N 2 0 278.396 1.609 10 0 CDAERP COc1cccc([C@H]2C[C@@H](O)C[N@@H+]2CCn2ccnc2)c1 ZINC000225727172 374327757 /nfs/dbraw/zinc/32/77/57/374327757.db2.gz SXTPZRZHCUUOQZ-GDBMZVCRSA-N 2 0 287.363 1.700 10 0 CDAERP [NH3+]CC1(CCNC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000652232019 541924502 /nfs/dbraw/zinc/92/45/02/541924502.db2.gz ODVZRUTVMSJNIY-KBPBESRZSA-N 2 0 294.443 1.147 10 0 CDAERP CC[NH2+][C@H](C)CNC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000418591194 374417627 /nfs/dbraw/zinc/41/76/27/374417627.db2.gz CECWRAXENQANMD-BFHYXJOUSA-N 2 0 284.448 1.356 10 0 CDAERP O=C(NCCC[C@@H]1CCC[NH2+]1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000418748800 374578801 /nfs/dbraw/zinc/57/88/01/374578801.db2.gz LIEOGHUZILRIEC-GJZGRUSLSA-N 2 0 292.427 1.174 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCF ZINC001661925742 1172467531 /nfs/dbraw/zinc/46/75/31/1172467531.db2.gz MIFQZHWUAVXHPI-CABCVRRESA-N 2 0 299.434 1.801 10 0 CDAERP CCCn1cc(CN2CC[C@H](C[NH+](C)C)C2)cn1 ZINC000125506345 374942242 /nfs/dbraw/zinc/94/22/42/374942242.db2.gz XCDBLAWVQHXBIA-CYBMUJFWSA-N 2 0 250.390 1.677 10 0 CDAERP CCC[C@H](C(=O)N1CC[NH+](C2CCOCC2)CC1)[NH+](C)C ZINC000128646880 375145753 /nfs/dbraw/zinc/14/57/53/375145753.db2.gz RBCMAEMWWSDXGC-OAHLLOKOSA-N 2 0 297.443 1.040 10 0 CDAERP Cn1ccc(CN2CCC(CC[NH+]3CCOCC3)CC2)n1 ZINC000359978178 375488206 /nfs/dbraw/zinc/48/82/06/375488206.db2.gz NOPHGIDUFAXUFC-UHFFFAOYSA-N 2 0 292.427 1.354 10 0 CDAERP C[C@H](CNC(=O)CC[N@@H+]1CCc2ccccc2C1)[NH+](C)C ZINC000416136966 375555526 /nfs/dbraw/zinc/55/55/26/375555526.db2.gz RNRNNZMASSMWHN-CQSZACIVSA-N 2 0 289.423 1.501 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH+](CC)CC)CC[N@@H+]1C ZINC000631275268 375789336 /nfs/dbraw/zinc/78/93/36/375789336.db2.gz ALVZSMLBHXGNJK-MELADBBJSA-N 2 0 269.433 1.563 10 0 CDAERP CC[N@@H+]1CC[C@@H](C[NH2+]CC2(OC)CCOCC2)C1 ZINC000428875787 247376307 /nfs/dbraw/zinc/37/63/07/247376307.db2.gz HGOLGNBJOUUIFJ-ZDUSSCGKSA-N 2 0 256.390 1.113 10 0 CDAERP CC(C)[NH2+]CCN1CCC(C[NH+]2CCCC2)CC1 ZINC000062031693 375868699 /nfs/dbraw/zinc/86/86/99/375868699.db2.gz CTVXQMFXBYJNES-UHFFFAOYSA-N 2 0 253.434 1.792 10 0 CDAERP CCc1cc(N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)cc[nH+]1 ZINC000418993560 376075528 /nfs/dbraw/zinc/07/55/28/376075528.db2.gz HBJOAYACOBKVDA-OLZOCXBDSA-N 2 0 263.385 1.535 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N2CC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000417389111 376301929 /nfs/dbraw/zinc/30/19/29/376301929.db2.gz JRWTXLQPDJRMQU-ZFWWWQNUSA-N 2 0 296.459 1.487 10 0 CDAERP Cn1cc(Cl)c(CN2CCC(C[NH+](C)C)CC2)n1 ZINC000420907897 376463024 /nfs/dbraw/zinc/46/30/24/376463024.db2.gz VWXRZUWAFLITCZ-UHFFFAOYSA-N 2 0 270.808 1.847 10 0 CDAERP FC(F)[C@@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000631866438 376748033 /nfs/dbraw/zinc/74/80/33/376748033.db2.gz YGCPWGPZSUBREH-NEPJUHHUSA-N 2 0 262.344 1.732 10 0 CDAERP C[C@@H](C[NH+](C)C[C@@H]1CCCO1)C[N@H+](C)C[C@H]1CCCO1 ZINC000246411241 376772905 /nfs/dbraw/zinc/77/29/05/376772905.db2.gz RUQUFIRTWSMKSZ-PHZGNYQRSA-N 2 0 284.444 1.844 10 0 CDAERP O=C(C[C@@H]1CSCC[NH2+]1)N1CCC(c2c[nH]cn2)CC1 ZINC000334642495 377118634 /nfs/dbraw/zinc/11/86/34/377118634.db2.gz IPRSLWDZLXELIF-GFCCVEGCSA-N 2 0 294.424 1.211 10 0 CDAERP COC(=O)CC[N@H+](C[C@@H]1CCCO1)C[C@]1(C)CC[NH2+]C1 ZINC000574916852 295076593 /nfs/dbraw/zinc/07/65/93/295076593.db2.gz ITWWTUNNEXGEKP-DZGCQCFKSA-N 2 0 284.400 1.030 10 0 CDAERP CC[NH+](CC)CCNC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000055122973 284627790 /nfs/dbraw/zinc/62/77/90/284627790.db2.gz WQIXWYFAFUXRRO-QWHCGFSZSA-N 2 0 255.406 1.352 10 0 CDAERP [NH3+]CCN(CCc1ccccc1)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000261691313 377889581 /nfs/dbraw/zinc/88/95/81/377889581.db2.gz IIAJYZYQRFKUOI-HNNXBMFYSA-N 2 0 275.396 1.159 10 0 CDAERP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000261751886 377895910 /nfs/dbraw/zinc/89/59/10/377895910.db2.gz HKMHEPYBOHAEDG-MCAMRPHCSA-N 2 0 279.428 1.398 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000417541499 377937016 /nfs/dbraw/zinc/93/70/16/377937016.db2.gz YLDBXAFFRPWAJT-KBXIAJHMSA-N 2 0 296.459 1.547 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N(C)C1CC([NH3+])C1 ZINC000417542244 377939011 /nfs/dbraw/zinc/93/90/11/377939011.db2.gz ZZQYAFTWOUWDHI-VTXSZYRJSA-N 2 0 282.432 1.380 10 0 CDAERP C[C@H](CNC(=O)N[C@@H](C)[C@H](C)[NH3+])[N@H+](C)Cc1ccccc1 ZINC000417587585 378076397 /nfs/dbraw/zinc/07/63/97/378076397.db2.gz NXRRDNQSHAMCEJ-RDBSUJKOSA-N 2 0 292.427 1.542 10 0 CDAERP CC[NH+](CC)[C@H](CNC(=O)CC[C@@H](C)[NH3+])CC(C)C ZINC000193294809 378286627 /nfs/dbraw/zinc/28/66/27/378286627.db2.gz HCVUDNIZLZGVRY-KGLIPLIRSA-N 2 0 271.449 1.987 10 0 CDAERP C[C@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC[NH2+]1 ZINC000417786605 378762022 /nfs/dbraw/zinc/76/20/22/378762022.db2.gz KLQUMOAYDCOQBB-FUDCBSFHSA-N 2 0 280.416 1.005 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)C1CCC([NH3+])CC1)c1cccs1 ZINC000040827299 378787619 /nfs/dbraw/zinc/78/76/19/378787619.db2.gz CTWBHRMIYODIOL-BPCQOVAHSA-N 2 0 295.452 1.985 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000344055849 379114012 /nfs/dbraw/zinc/11/40/12/379114012.db2.gz MEAWUJHPUIFCFY-MELADBBJSA-N 2 0 267.417 1.317 10 0 CDAERP CC(C)[C@H]1CN(C(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)CC[N@@H+]1C ZINC000634301093 379360157 /nfs/dbraw/zinc/36/01/57/379360157.db2.gz WMGHWJKHMNDLSX-ARFHVFGLSA-N 2 0 295.471 1.811 10 0 CDAERP [NH3+]C1(c2noc([C@@H](F)[C@@H]3CC[NH2+]C3)n2)CCCC1 ZINC000634555529 379666949 /nfs/dbraw/zinc/66/69/49/379666949.db2.gz MNKCBCTWYNMLRC-BDAKNGLRSA-N 2 0 254.309 1.418 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000418109941 284799489 /nfs/dbraw/zinc/79/94/89/284799489.db2.gz VESVGUNYGVKHTQ-UPJWGTAASA-N 2 0 270.421 1.109 10 0 CDAERP C[N@H+](CCNC(=O)N[C@@H](C[NH3+])C(F)(F)F)C1CCCC1 ZINC000655916716 412923604 /nfs/dbraw/zinc/92/36/04/412923604.db2.gz HEWIRWVBWMIUOK-JTQLQIEISA-N 2 0 296.337 1.050 10 0 CDAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]CC3(F)CC3)cc2)C1 ZINC000657597284 412924683 /nfs/dbraw/zinc/92/46/83/412924683.db2.gz SCLHOUBTOADMJM-HNNXBMFYSA-N 2 0 278.371 1.845 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)CO1 ZINC000657598083 412929394 /nfs/dbraw/zinc/92/93/94/412929394.db2.gz XYYMXBNSOVSLSG-XYPHTWIQSA-N 2 0 290.407 1.520 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2CCNC(=O)CC2)[C@@H](C)C1 ZINC000450555463 251337327 /nfs/dbraw/zinc/33/73/27/251337327.db2.gz AYSSWSQDDXFIEN-ZNMIVQPWSA-N 2 0 281.444 1.565 10 0 CDAERP [NH3+]C1(CNC(=O)C2([NH2+]C3CC3)CCC2)CCCCC1 ZINC000662393958 412955269 /nfs/dbraw/zinc/95/52/69/412955269.db2.gz YWFTZQCHFZHWCN-UHFFFAOYSA-N 2 0 265.401 1.439 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CCCNC(=O)C1CC[NH+](C)CC1 ZINC001663105227 1172637282 /nfs/dbraw/zinc/63/72/82/1172637282.db2.gz RSGHSYFZLHHVTG-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP [NH3+]C1(C(=O)N2CCC([NH2+]CC3CC3)CC2)CC2(CCC2)C1 ZINC000662422462 412998785 /nfs/dbraw/zinc/99/87/85/412998785.db2.gz PHOIUNYBMZSNJJ-UHFFFAOYSA-N 2 0 291.439 1.639 10 0 CDAERP O=C(N1CC[C@H]2CC[C@@H](C1)[NH2+]2)C1([NH2+]C2CC2)CCC1 ZINC000662425539 413003494 /nfs/dbraw/zinc/00/34/94/413003494.db2.gz JFAWVMHWUAWMOZ-YPMHNXCESA-N 2 0 263.385 1.014 10 0 CDAERP C[C@H]([NH2+]CCN1CCC[NH2+]CC1)c1nccs1 ZINC000080310571 177638280 /nfs/dbraw/zinc/63/82/80/177638280.db2.gz MRQDBXXBZHSEPK-NSHDSACASA-N 2 0 254.403 1.089 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000037041684 390205701 /nfs/dbraw/zinc/20/57/01/390205701.db2.gz OTQGFJRPWSIKHQ-BPUTZDHNSA-N 2 0 293.455 1.896 10 0 CDAERP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)[C@H](C)[NH3+])o1 ZINC000647067944 390386632 /nfs/dbraw/zinc/38/66/32/390386632.db2.gz DQXGVNCPFGOXJC-WDEREUQCSA-N 2 0 267.373 1.587 10 0 CDAERP C[C@H]1CCN(C(=O)c2ccccc2CC[NH3+])C[C@@H]1C[NH3+] ZINC000568151630 390441553 /nfs/dbraw/zinc/44/15/53/390441553.db2.gz HBIRZZBGPVFAIR-JSGCOSHPSA-N 2 0 275.396 1.245 10 0 CDAERP COc1cccc([C@@H](C)[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000261605696 390661448 /nfs/dbraw/zinc/66/14/48/390661448.db2.gz CVERCHNCYHYRFO-GDBMZVCRSA-N 2 0 289.423 1.736 10 0 CDAERP C[C@H]([NH2+]CCCC[NH+]1CCOCC1)[C@H]1CCOC1 ZINC000158751242 390936015 /nfs/dbraw/zinc/93/60/15/390936015.db2.gz IAVGOZSPRUOEOK-KBPBESRZSA-N 2 0 256.390 1.113 10 0 CDAERP CC[N@@H+]1CCN(C(=O)CC[C@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC000359605077 390936331 /nfs/dbraw/zinc/93/63/31/390936331.db2.gz XHFOGCSZMSUIML-HUUCEWRRSA-N 2 0 281.444 1.804 10 0 CDAERP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)CC1([NH3+])CCC1 ZINC000648198580 390949926 /nfs/dbraw/zinc/94/99/26/390949926.db2.gz ZWYAKCHHIZGQJZ-CQSZACIVSA-N 2 0 273.380 1.343 10 0 CDAERP CC(C)[NH2+]CCC(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648205611 390951776 /nfs/dbraw/zinc/95/17/76/390951776.db2.gz JSUAJJMOYFLHTE-LBPRGKRZSA-N 2 0 253.390 1.165 10 0 CDAERP CC1CC[NH+](CC(=O)N[C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000648210051 390952675 /nfs/dbraw/zinc/95/26/75/390952675.db2.gz ISERGCBCJUZPNO-AWEZNQCLSA-N 2 0 279.428 1.509 10 0 CDAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CC12CC2 ZINC000421765989 390952865 /nfs/dbraw/zinc/95/28/65/390952865.db2.gz BPHHEBGFUCDSIS-CQSZACIVSA-N 2 0 281.444 1.519 10 0 CDAERP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1ccc(CO)c(F)c1 ZINC000415091174 391013799 /nfs/dbraw/zinc/01/37/99/391013799.db2.gz PUGYETSPWRNTOS-RISCZKNCSA-N 2 0 266.360 1.938 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N[C@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000417745135 391011369 /nfs/dbraw/zinc/01/13/69/391011369.db2.gz FIPFSMXWQVMJCK-GJZGRUSLSA-N 2 0 296.459 1.535 10 0 CDAERP Cc1cc(NC(=O)N(CC[NH3+])CCc2ccccc2)ccn1 ZINC000415391108 391133027 /nfs/dbraw/zinc/13/30/27/391133027.db2.gz HIPGLXJIULLLCA-UHFFFAOYSA-N 2 0 298.390 1.847 10 0 CDAERP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](C)O[C@H](C)[C@H]2C)CC1 ZINC000337449382 391153004 /nfs/dbraw/zinc/15/30/04/391153004.db2.gz DMSWJPKXLVJPPI-BRWVUGGUSA-N 2 0 297.487 1.900 10 0 CDAERP Cn1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1=O ZINC000647900935 391193091 /nfs/dbraw/zinc/19/30/91/391193091.db2.gz HVDFQNOUYRWZCX-GJZGRUSLSA-N 2 0 275.396 1.349 10 0 CDAERP COC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)C1CCOCC1 ZINC000188169047 391257196 /nfs/dbraw/zinc/25/71/96/391257196.db2.gz GVYYVOGBYWDQSD-INIZCTEOSA-N 2 0 284.444 1.890 10 0 CDAERP C[C@@H]1CN(CC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)CCO1 ZINC000647903823 391202493 /nfs/dbraw/zinc/20/24/93/391202493.db2.gz QLIKFEKKHMPMRC-BZUAXINKSA-N 2 0 281.444 1.171 10 0 CDAERP CC[C@H]([NH2+]C)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000662473509 413049295 /nfs/dbraw/zinc/04/92/95/413049295.db2.gz LWBGUTJKNAATKW-AWEZNQCLSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000418346739 391351333 /nfs/dbraw/zinc/35/13/33/391351333.db2.gz COXCOVIFOQPGAF-MRVWCRGKSA-N 2 0 282.432 1.191 10 0 CDAERP CCCC[C@H](C[NH3+])NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000418438915 391511425 /nfs/dbraw/zinc/51/14/25/391511425.db2.gz FIJSWIJDBATIQR-UPJWGTAASA-N 2 0 268.405 1.040 10 0 CDAERP Cn1cnc(CCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000647801278 391664132 /nfs/dbraw/zinc/66/41/32/391664132.db2.gz UFXFXEYHHGGFSG-MJBXVCDLSA-N 2 0 277.416 1.258 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000418195794 391803485 /nfs/dbraw/zinc/80/34/85/391803485.db2.gz GNRRWGHMVUBLSA-MELADBBJSA-N 2 0 284.448 1.404 10 0 CDAERP C[N@H+](CCC[NH3+])CCOCCOc1ccccc1 ZINC000647848624 391843021 /nfs/dbraw/zinc/84/30/21/391843021.db2.gz ZQSAPJFTRWRLSK-UHFFFAOYSA-N 2 0 252.358 1.363 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)C1CCCCC1 ZINC000649293738 391908053 /nfs/dbraw/zinc/90/80/53/391908053.db2.gz HIBXQWPHODMLGN-BNOWGMLFSA-N 2 0 265.401 1.118 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000334961877 391987662 /nfs/dbraw/zinc/98/76/62/391987662.db2.gz PASRKUPJMIKGTP-ZDUSSCGKSA-N 2 0 279.428 1.367 10 0 CDAERP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)COC1(C)C[NH2+]C1 ZINC000649310409 391979295 /nfs/dbraw/zinc/97/92/95/391979295.db2.gz DTZHWNURSLPYGS-AWEZNQCLSA-N 2 0 297.443 1.136 10 0 CDAERP C[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH+]2CCCO)[C@H]2CCC[C@@H]21 ZINC000453266946 392028199 /nfs/dbraw/zinc/02/81/99/392028199.db2.gz OUZBFGDRDDEXAZ-YVSFHVDLSA-N 2 0 295.471 1.296 10 0 CDAERP CC(C)[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000336786918 392061132 /nfs/dbraw/zinc/06/11/32/392061132.db2.gz JRJAPXXJUQLCET-GJZGRUSLSA-N 2 0 254.418 1.667 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000648893780 392156903 /nfs/dbraw/zinc/15/69/03/392156903.db2.gz ANUQIEZCONSGRV-GOEBONIOSA-N 2 0 293.455 1.994 10 0 CDAERP FC(F)CN1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000649411858 392196197 /nfs/dbraw/zinc/19/61/97/392196197.db2.gz KHLFZVSVFMQYFP-UHFFFAOYSA-N 2 0 275.387 1.649 10 0 CDAERP C[C@@H](CC[NH+](C)C)NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000431847027 392208831 /nfs/dbraw/zinc/20/88/31/392208831.db2.gz UTDXETDBLUSUSS-KBPBESRZSA-N 2 0 269.433 1.707 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)CC(C)(C)[NH3+])CC1 ZINC000646262467 392219655 /nfs/dbraw/zinc/21/96/55/392219655.db2.gz YIOKPEDDWHMEDG-UHFFFAOYSA-N 2 0 255.406 1.350 10 0 CDAERP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCCOC2)CC[NH2+]CC1 ZINC000422864042 392267627 /nfs/dbraw/zinc/26/76/27/392267627.db2.gz SZQFSGUTJHMWPS-STQMWFEESA-N 2 0 284.400 1.076 10 0 CDAERP Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000423019828 392277740 /nfs/dbraw/zinc/27/77/40/392277740.db2.gz XIOSWOYAIKEFBA-MLGOLLRUSA-N 2 0 278.444 1.947 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@](C)(O)C1CCCCC1 ZINC000423077185 392320196 /nfs/dbraw/zinc/32/01/96/392320196.db2.gz LMCPDGKFYNYGRO-LSDHHAIUSA-N 2 0 272.433 1.661 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCc1nn(C)c2ccccc12 ZINC000423049305 392299052 /nfs/dbraw/zinc/29/90/52/392299052.db2.gz JLBQSBLYLCLVEV-CYBMUJFWSA-N 2 0 290.411 1.459 10 0 CDAERP CC[NH+](CC)[C@H](C)CN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000423084274 392328893 /nfs/dbraw/zinc/32/88/93/392328893.db2.gz HKOADKXHWWMDMI-AAVRWANBSA-N 2 0 257.422 1.059 10 0 CDAERP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1cn[nH]c1 ZINC000423122650 392362005 /nfs/dbraw/zinc/36/20/05/392362005.db2.gz KUCBYHBXKTZZLU-SWLSCSKDSA-N 2 0 258.369 1.500 10 0 CDAERP COc1ncccc1CC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000423144377 392383496 /nfs/dbraw/zinc/38/34/96/392383496.db2.gz YTRVMSADXRVGEJ-OCCSQVGLSA-N 2 0 263.385 1.610 10 0 CDAERP CCC[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccccn1 ZINC000423200217 392437852 /nfs/dbraw/zinc/43/78/52/392437852.db2.gz DZCGRDGAMJOHNP-AWEZNQCLSA-N 2 0 262.401 1.418 10 0 CDAERP C[NH2+]CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423225505 392454828 /nfs/dbraw/zinc/45/48/28/392454828.db2.gz NARAQXGFTHWTTF-OSYLJGHBSA-N 2 0 273.424 1.991 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCCc2cc(N)ccc21 ZINC000423371851 392547650 /nfs/dbraw/zinc/54/76/50/392547650.db2.gz VHMFIZWFSOFQPE-HOCLYGCPSA-N 2 0 277.412 1.990 10 0 CDAERP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000646777240 392753919 /nfs/dbraw/zinc/75/39/19/392753919.db2.gz NPXFWUZHBOMPDM-LSDHHAIUSA-N 2 0 275.396 1.605 10 0 CDAERP CC[N@@H+]1CC[C@H](CN[C@@H]2C[C@H](C)[NH+](C3CC3)C2)C1 ZINC000129126195 392791223 /nfs/dbraw/zinc/79/12/23/392791223.db2.gz QMJWEFWWWQAKGQ-BFHYXJOUSA-N 2 0 251.418 1.543 10 0 CDAERP O[C@@H](C[NH2+][C@H]1CCCC12CC2)C[NH+]1CCCCC1 ZINC000657846365 413056613 /nfs/dbraw/zinc/05/66/13/413056613.db2.gz NKJMTDKUPLPEOT-KBPBESRZSA-N 2 0 252.402 1.756 10 0 CDAERP CC[C@@H](C(=O)NCC[N@H+](C)C1CCCCC1)[NH+](C)C ZINC000132235121 393094833 /nfs/dbraw/zinc/09/48/33/393094833.db2.gz AEOBGKDUXQFNSY-AWEZNQCLSA-N 2 0 269.433 1.707 10 0 CDAERP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CCOC[C@H](O)C1 ZINC000451233151 393165736 /nfs/dbraw/zinc/16/57/36/393165736.db2.gz HRQZOFARIWBDPF-MRXNPFEDSA-N 2 0 287.363 1.374 10 0 CDAERP C[NH+](C)Cc1cccc(C[NH2+][C@H]2CCC(=O)NC2(C)C)c1 ZINC000494908147 393128298 /nfs/dbraw/zinc/12/82/98/393128298.db2.gz HPLADFCKAHTQCH-HNNXBMFYSA-N 2 0 289.423 1.895 10 0 CDAERP C[NH+](C)CCc1ccc(C[NH2+]CC2(O)CCC2)cc1 ZINC000521996312 393142462 /nfs/dbraw/zinc/14/24/62/393142462.db2.gz RSMNOAJXRAQVQF-UHFFFAOYSA-N 2 0 262.397 1.795 10 0 CDAERP C[C@@H](C[NH+](C)C)NC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000495454514 393270861 /nfs/dbraw/zinc/27/08/61/393270861.db2.gz KAFMPKJWNHCRSJ-IHRRRGAJSA-N 2 0 284.448 1.499 10 0 CDAERP CC(C)OCC[C@H](O)C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656153912 413061468 /nfs/dbraw/zinc/06/14/68/413061468.db2.gz OPFNZCCNASLMPK-MJBXVCDLSA-N 2 0 258.406 1.092 10 0 CDAERP O=C(C[C@H]1CC[NH2+]C1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000662505138 413076235 /nfs/dbraw/zinc/07/62/35/413076235.db2.gz GKMQUTLYSHFGCR-YCPHGPKFSA-N 2 0 291.439 1.461 10 0 CDAERP C[C@@H]([NH3+])CCNC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000178406053 140005238 /nfs/dbraw/zinc/00/52/38/140005238.db2.gz SDTFGHLXZRHWRL-CYBMUJFWSA-N 2 0 275.396 1.161 10 0 CDAERP O=C(CC1CC[NH2+]CC1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186540179 140063865 /nfs/dbraw/zinc/06/38/65/140063865.db2.gz RXOOHQVARAAHJH-CYBMUJFWSA-N 2 0 265.401 1.119 10 0 CDAERP CC(=O)CC[N@@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000188299760 140091781 /nfs/dbraw/zinc/09/17/81/140091781.db2.gz AORYRLHUAPGQCG-QGZVFWFLSA-N 2 0 290.407 1.534 10 0 CDAERP CC1CC[NH+](CCCCNC(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000188723671 140100125 /nfs/dbraw/zinc/10/01/25/140100125.db2.gz VEXBHGKXEOQILO-UONOGXRCSA-N 2 0 285.407 1.315 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000234752322 140232342 /nfs/dbraw/zinc/23/23/42/140232342.db2.gz QNLDXYHDAYKJGL-DGCLKSJQSA-N 2 0 280.368 1.820 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)CC2CC[NH2+]CC2)[C@@H](C)C1 ZINC000246731870 140283315 /nfs/dbraw/zinc/28/33/15/140283315.db2.gz YKCBMHYFZQVFTB-ZFWWWQNUSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251791593 140312540 /nfs/dbraw/zinc/31/25/40/140312540.db2.gz NLNINMKPZMFTQO-MOTUXRJWSA-N 2 0 291.439 1.602 10 0 CDAERP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](N[C@@H]4CC[NH2+]C4)[C@H]3C2)cc1 ZINC000261547951 140344617 /nfs/dbraw/zinc/34/46/17/140344617.db2.gz MWXCRFHTCSNDBO-MHORFTMASA-N 2 0 285.435 1.849 10 0 CDAERP C[C@@H](NC1CC[NH+](Cc2ccccc2)CC1)[C@H](C)[NH3+] ZINC000261558551 140346943 /nfs/dbraw/zinc/34/69/43/140346943.db2.gz YKKBPDYFZMRTOM-UONOGXRCSA-N 2 0 261.413 1.976 10 0 CDAERP Cc1cc([C@@H]2CCC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)[nH]n1 ZINC000261642668 140367267 /nfs/dbraw/zinc/36/72/67/140367267.db2.gz DKXPCFXLZSJNBW-ZIAGYGMSSA-N 2 0 262.401 1.897 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261670574 140372777 /nfs/dbraw/zinc/37/27/77/140372777.db2.gz GCFMKGQBFLDZBF-APIJFGDWSA-N 2 0 281.444 1.883 10 0 CDAERP Cc1nccn1C[C@@H]1CCC[N@@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000261703573 140377340 /nfs/dbraw/zinc/37/73/40/140377340.db2.gz CSIPITANKVNFPA-GJZGRUSLSA-N 2 0 262.401 1.656 10 0 CDAERP Cc1nc(C[C@H]2CCC[N@H+](C[C@@]3(C)CC[NH2+]C3)C2)no1 ZINC000261732992 140382696 /nfs/dbraw/zinc/38/26/96/140382696.db2.gz HKOSSCRZNCYBND-HIFRSBDPSA-N 2 0 278.400 1.632 10 0 CDAERP COCC1(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])CC1 ZINC000656200325 413099115 /nfs/dbraw/zinc/09/91/15/413099115.db2.gz LSVDVVILLKQKBD-DZGCQCFKSA-N 2 0 262.397 1.961 10 0 CDAERP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)[C@H]1CCOC1 ZINC000658067182 413166739 /nfs/dbraw/zinc/16/67/39/413166739.db2.gz LJYIFQZVSGOVND-ZBFHGGJFSA-N 2 0 296.455 1.892 10 0 CDAERP CO[C@@H](C[NH2+]C1CC[NH+](C(C)C)CC1)[C@@H]1CCOC1 ZINC000658074524 413172257 /nfs/dbraw/zinc/17/22/57/413172257.db2.gz TWJCEKSWEAVAMX-HIFRSBDPSA-N 2 0 270.417 1.500 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000651192707 397869635 /nfs/dbraw/zinc/86/96/35/397869635.db2.gz XLSGDIKXAPKONM-HNNXBMFYSA-N 2 0 298.475 1.700 10 0 CDAERP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000390789858 397981376 /nfs/dbraw/zinc/98/13/76/397981376.db2.gz VRCNOYJYEUXODZ-JKSUJKDBSA-N 2 0 287.407 1.234 10 0 CDAERP O[C@H](C[NH2+]C1CC2(CCC2)C1)C[NH+]1CCCCC1 ZINC000459463840 296580089 /nfs/dbraw/zinc/58/00/89/296580089.db2.gz HRXULRCKKAIKND-CQSZACIVSA-N 2 0 252.402 1.756 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1([NH3+])CCCCC1 ZINC000094460202 147090161 /nfs/dbraw/zinc/09/01/61/147090161.db2.gz ZQBLUZIYTKJVDZ-CHWSQXEVSA-N 2 0 265.401 1.343 10 0 CDAERP CC(C)[NH+]1CCC([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)CC1 ZINC000658110518 413211045 /nfs/dbraw/zinc/21/10/45/413211045.db2.gz YCYBQTKFRHOGSU-INIZCTEOSA-N 3 0 298.519 1.721 10 0 CDAERP COCCCC[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000352422564 155177768 /nfs/dbraw/zinc/17/77/68/155177768.db2.gz SSRUXFIDVZZVJU-UHFFFAOYSA-N 2 0 279.384 1.639 10 0 CDAERP O[C@H]1C[NH2+]C[C@@H]1CNCc1ccccc1OC(F)(F)F ZINC000262087825 149013559 /nfs/dbraw/zinc/01/35/59/149013559.db2.gz GHNWYNPFUHFPKB-QWRGUYRKSA-N 2 0 290.285 1.255 10 0 CDAERP O=C(NCC[C@@H]1CCC[NH2+]C1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000262408811 149059724 /nfs/dbraw/zinc/05/97/24/149059724.db2.gz COXOLKIDXRMPJA-XGUBFFRZSA-N 2 0 279.428 1.413 10 0 CDAERP O[C@@H](C[NH2+]C[C@@H]1CCSC1)C[NH+]1CCCCC1 ZINC000310380934 149193819 /nfs/dbraw/zinc/19/38/19/149193819.db2.gz JEMDIQHFVIRMJB-STQMWFEESA-N 2 0 258.431 1.176 10 0 CDAERP C[C@H]1CN(C(=O)NC2CCC(C[NH+](C)C)CC2)CC[NH2+]1 ZINC000334922260 150083467 /nfs/dbraw/zinc/08/34/67/150083467.db2.gz CYZSYMMGMIAEHG-HSBZDZAISA-N 2 0 282.432 1.110 10 0 CDAERP Cc1ncsc1CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000334998172 150166664 /nfs/dbraw/zinc/16/66/64/150166664.db2.gz LMHBRNOKZJWSSU-BETUJISGSA-N 2 0 265.426 1.925 10 0 CDAERP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000335021022 150194583 /nfs/dbraw/zinc/19/45/83/150194583.db2.gz KBHTWKOLWBKJPM-ZIAGYGMSSA-N 2 0 279.428 1.639 10 0 CDAERP CN(CC[NH2+]CCC(F)(F)F)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001664308992 1172839029 /nfs/dbraw/zinc/83/90/29/1172839029.db2.gz BQHMJNOTPVJTJM-NSHDSACASA-N 2 0 295.349 1.329 10 0 CDAERP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NCC1([NH3+])CCCC1 ZINC000662649810 413250306 /nfs/dbraw/zinc/25/03/06/413250306.db2.gz SKQRVTVPDAZYCL-STQMWFEESA-N 2 0 267.417 1.672 10 0 CDAERP COCC1(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CC[NH2+]CC1 ZINC000423396228 292248083 /nfs/dbraw/zinc/24/80/83/292248083.db2.gz AYFPIOITDYLHDZ-XHSDSOJGSA-N 3 0 295.471 1.465 10 0 CDAERP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CCC([NH+](C)C)CC2)C1(C)C ZINC000134024590 286305148 /nfs/dbraw/zinc/30/51/48/286305148.db2.gz WESVCYIVIAIHFV-CZUORRHYSA-N 2 0 297.443 1.072 10 0 CDAERP COC(=O)[C@](C)(O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000343688129 152267009 /nfs/dbraw/zinc/26/70/09/152267009.db2.gz KRSPGUJHSZTEGR-XJKCOSOUSA-N 2 0 298.427 1.153 10 0 CDAERP COC(=O)[C@](C)(O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000343688126 152267138 /nfs/dbraw/zinc/26/71/38/152267138.db2.gz KRSPGUJHSZTEGR-DVOMOZLQSA-N 2 0 298.427 1.153 10 0 CDAERP CC[NH+](CC)CCNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662659685 413263215 /nfs/dbraw/zinc/26/32/15/413263215.db2.gz OHSNJMNFPGVWDO-UHFFFAOYSA-N 2 0 253.390 1.106 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)CC1([NH3+])CC1)Cc1ccccc1 ZINC000662663983 413271208 /nfs/dbraw/zinc/27/12/08/413271208.db2.gz RKHUMMGQUSZIEE-CQSZACIVSA-N 2 0 275.396 1.157 10 0 CDAERP COc1ccc([C@@H](C)[NH2+][C@@H](C)C2C[NH2+]C2)cc1OC ZINC000422936723 286355387 /nfs/dbraw/zinc/35/53/87/286355387.db2.gz FWRQYMLNJQGVOE-MNOVXSKESA-N 2 0 264.369 1.962 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](C)CC1 ZINC000349079707 154046557 /nfs/dbraw/zinc/04/65/57/154046557.db2.gz KEOGAJLHXCHAEO-CYBMUJFWSA-N 2 0 253.390 1.071 10 0 CDAERP COc1ccccc1/C=C/C[NH2+]CCOCC[NH+](C)C ZINC000349219643 154070409 /nfs/dbraw/zinc/07/04/09/154070409.db2.gz WLLGOYNIAGDVLX-SOFGYWHQSA-N 2 0 278.396 1.876 10 0 CDAERP C[C@H](CNC(=O)C1([NH2+]C2CC2)CCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000662677889 413295494 /nfs/dbraw/zinc/29/54/94/413295494.db2.gz ANHZQSSLXPVGJW-UONOGXRCSA-N 2 0 293.455 1.898 10 0 CDAERP CCSCC[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000355760677 157222650 /nfs/dbraw/zinc/22/26/50/157222650.db2.gz XSGQVTJXSFOTAW-UHFFFAOYSA-N 2 0 259.463 1.355 10 0 CDAERP CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000356105918 157356376 /nfs/dbraw/zinc/35/63/76/157356376.db2.gz ZIUKFQOVKGZODV-TZMCWYRMSA-N 2 0 281.444 1.848 10 0 CDAERP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@H]2CCO[C@@H](C)C2)CC1 ZINC000660697695 413381755 /nfs/dbraw/zinc/38/17/55/413381755.db2.gz ISEALSYPKVUHKG-HOTGVXAUSA-N 2 0 298.471 1.874 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)CC2([NH3+])CC2)C[C@H]1C ZINC000662742683 413417707 /nfs/dbraw/zinc/41/77/07/413417707.db2.gz FZSBTCUOVCVJTD-NEPJUHHUSA-N 2 0 253.390 1.199 10 0 CDAERP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CCC(C(N)=O)CC1 ZINC000093515545 286892765 /nfs/dbraw/zinc/89/27/65/286892765.db2.gz HNFBLTOPXULZHT-VXGQWTEUSA-N 2 0 281.444 1.931 10 0 CDAERP CCCCNC(=O)CC[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000081095060 1173014539 /nfs/dbraw/zinc/01/45/39/1173014539.db2.gz KTSYXGOVBZRDTE-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H](N)c1ccc(F)cc1F ZINC000662773542 413472493 /nfs/dbraw/zinc/47/24/93/413472493.db2.gz VFOFUERJNQHZFV-JCOFBHIZSA-N 2 0 283.322 1.079 10 0 CDAERP C[N@@H+]1CCCN([C@@H](C[NH3+])c2ccc(Cl)cc2)CC1 ZINC000020217642 171079962 /nfs/dbraw/zinc/07/99/62/171079962.db2.gz OLLWOHJCEWCQDA-AWEZNQCLSA-N 2 0 267.804 1.977 10 0 CDAERP C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000022155512 171362358 /nfs/dbraw/zinc/36/23/58/171362358.db2.gz VAGXNLNSMLRFPC-GFCCVEGCSA-N 2 0 261.369 1.816 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000653175885 412114362 /nfs/dbraw/zinc/11/43/62/412114362.db2.gz FBYCNFISHBKQRJ-GFCCVEGCSA-N 2 0 255.406 1.079 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654657423 413545901 /nfs/dbraw/zinc/54/59/01/413545901.db2.gz GGWXECDXUZPTEH-GASCZTMLSA-N 2 0 298.475 1.556 10 0 CDAERP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654663939 413557911 /nfs/dbraw/zinc/55/79/11/413557911.db2.gz KRPFMUMIVHVIIL-MELADBBJSA-N 2 0 282.432 1.062 10 0 CDAERP [NH3+]Cc1ccc(OCC[NH+]2CCSCC2)cc1 ZINC000035725280 172380233 /nfs/dbraw/zinc/38/02/33/172380233.db2.gz AJXBCQVINFAQIT-UHFFFAOYSA-N 2 0 252.383 1.573 10 0 CDAERP Cc1ccc([C@@H]([NH3+])C(=O)N[C@@H](C)c2nccn2C)cc1 ZINC000662932730 413717167 /nfs/dbraw/zinc/71/71/67/413717167.db2.gz DTVSVRDOWDCMKF-WCQYABFASA-N 2 0 272.352 1.606 10 0 CDAERP CC[C@H](C[NH+]1CCCC1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000654799919 413719477 /nfs/dbraw/zinc/71/94/77/413719477.db2.gz HHBIBKSQMZJTRB-UONOGXRCSA-N 2 0 267.417 1.319 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N(C)CC(C)(C)[NH3+] ZINC000659435650 413819998 /nfs/dbraw/zinc/81/99/98/413819998.db2.gz ZTDBZDOUWDLUDA-LLVKDONJSA-N 2 0 258.410 1.095 10 0 CDAERP CC(C)[NH+](CCCNC(=O)NCC12CC(C1)C[NH2+]2)C(C)C ZINC000659465013 413854262 /nfs/dbraw/zinc/85/42/62/413854262.db2.gz UHEIOPLYWSIHEL-UHFFFAOYSA-N 2 0 296.459 1.547 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NCC1(C)CC[NH2+]CC1 ZINC000659530492 413929974 /nfs/dbraw/zinc/92/99/74/413929974.db2.gz SMFCZWXGBHFJGR-GFCCVEGCSA-N 2 0 270.421 1.049 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)C1 ZINC000659609700 414013736 /nfs/dbraw/zinc/01/37/36/414013736.db2.gz LBGPZDPDSLWDML-ZNMIVQPWSA-N 2 0 294.443 1.112 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000659618889 414030243 /nfs/dbraw/zinc/03/02/43/414030243.db2.gz KVTGMRZBTJQYBC-ZIAGYGMSSA-N 2 0 284.448 1.486 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000659625183 414039015 /nfs/dbraw/zinc/03/90/15/414039015.db2.gz PLKSJYHJFIJULL-HUUCEWRRSA-N 2 0 296.459 1.630 10 0 CDAERP CC[C@@H]1C[C@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)CO1 ZINC000657306360 414149716 /nfs/dbraw/zinc/14/97/16/414149716.db2.gz VWFRJROPVRKVOF-LSDHHAIUSA-N 2 0 269.433 1.170 10 0 CDAERP CCN(C(=O)NC[C@@H]1CC[NH+]1C(C)(C)C)[C@@H]1CC[N@H+](C)C1 ZINC000665355331 414097180 /nfs/dbraw/zinc/09/71/80/414097180.db2.gz QKUGLXLOPDLXGZ-UONOGXRCSA-N 2 0 296.459 1.595 10 0 CDAERP Cc1nn(C)c(C)c1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655825304 414232328 /nfs/dbraw/zinc/23/23/28/414232328.db2.gz DEMBAUNHWFFJDX-BETUJISGSA-N 2 0 250.390 1.467 10 0 CDAERP C[C@H]1CCCC[C@H]1NC(=O)NCCN(C)CCC[NH+](C)C ZINC000663414409 414237050 /nfs/dbraw/zinc/23/70/50/414237050.db2.gz CNXPBZYMIWNMJN-LSDHHAIUSA-N 2 0 298.475 1.748 10 0 CDAERP c1[nH]nnc1CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000659842882 414170166 /nfs/dbraw/zinc/17/01/66/414170166.db2.gz GVKKVDGHKHBZKI-UHFFFAOYSA-N 2 0 263.389 1.155 10 0 CDAERP CCN(CC)C(=O)[C@@H]1CCCN1C[C@H](O)C[N@H+](C)C(C)C ZINC000659858742 414192424 /nfs/dbraw/zinc/19/24/24/414192424.db2.gz YHGIOPOHYRVZJW-CABCVRRESA-N 2 0 299.459 1.020 10 0 CDAERP CC[NH+]1CCC([NH2+]C[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000655803586 414193500 /nfs/dbraw/zinc/19/35/00/414193500.db2.gz USJNODDLHWJHGH-KFWWJZLASA-N 2 0 283.460 1.558 10 0 CDAERP CC(C)[NH+]1CCC([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000655807997 414203008 /nfs/dbraw/zinc/20/30/08/414203008.db2.gz ZUBBHGGZVXKFKJ-OTVXOJSOSA-N 3 0 253.434 1.789 10 0 CDAERP CC[C@H]1C[C@@H]([NH2+]CC2(O)CC[NH+](C(C)C)CC2)CO1 ZINC000657396740 414281671 /nfs/dbraw/zinc/28/16/71/414281671.db2.gz ACXVKJCNOGLDOM-KGLIPLIRSA-N 2 0 270.417 1.379 10 0 CDAERP c1ccc([C@H]2CC[NH2+]C[C@H]2NC[C@@]23C[C@@H]2C[NH2+]C3)cc1 ZINC000663499241 414297209 /nfs/dbraw/zinc/29/72/09/414297209.db2.gz VLJYMZQRGCQGJU-VQHPVUNQSA-N 2 0 271.408 1.331 10 0 CDAERP C[NH+](C)CCOc1ccc(CNCC23CC(C2)C[NH2+]3)cc1 ZINC000663502587 414301633 /nfs/dbraw/zinc/30/16/33/414301633.db2.gz VTVHVMOAOMXIBB-UHFFFAOYSA-N 2 0 289.423 1.469 10 0 CDAERP C[C@H](O)C[C@H](C)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657431974 414317527 /nfs/dbraw/zinc/31/75/27/414317527.db2.gz LUESXRCPDUVLBV-RYUDHWBXSA-N 2 0 260.341 1.516 10 0 CDAERP Cc1nocc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657537210 414421655 /nfs/dbraw/zinc/42/16/55/414421655.db2.gz CMAKKIRJOVTAPF-UHFFFAOYSA-N 2 0 293.411 1.964 10 0 CDAERP COC[C@H](C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)OC ZINC000662263548 414598953 /nfs/dbraw/zinc/59/89/53/414598953.db2.gz CIINFNKBIMOUAP-HZSPNIEDSA-N 2 0 256.390 1.112 10 0 CDAERP CC[C@@](C)([NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1)c1nccs1 ZINC000662264557 414599409 /nfs/dbraw/zinc/59/94/09/414599409.db2.gz QWYDPNYUGHIKRL-WCQYABFASA-N 2 0 281.425 1.879 10 0 CDAERP CCc1ccc([C@H]2C[NH2+]CCN2C[C@@H]2C[NH2+]CCO2)cc1 ZINC000662271458 414604385 /nfs/dbraw/zinc/60/43/85/414604385.db2.gz HHZOPQUCMPBHRC-DLBZAZTESA-N 2 0 289.423 1.184 10 0 CDAERP [NH3+]C[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)CC12CCOCC2 ZINC000662273226 414604805 /nfs/dbraw/zinc/60/48/05/414604805.db2.gz KQGOHWAOUBWGFB-VXGBXAGGSA-N 2 0 290.354 1.098 10 0 CDAERP COCC[N@@H+](Cc1cccnc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662276669 414606812 /nfs/dbraw/zinc/60/68/12/414606812.db2.gz KXXXOTABFOMZGM-OAHLLOKOSA-N 2 0 291.395 1.051 10 0 CDAERP COCC[NH2+]C1CC[NH+](C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000662284309 414614075 /nfs/dbraw/zinc/61/40/75/414614075.db2.gz GYNDGUAPQQWLQK-BTTYYORXSA-N 2 0 252.402 1.733 10 0 CDAERP CC(C)NC(=O)[C@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000662317714 414635346 /nfs/dbraw/zinc/63/53/46/414635346.db2.gz QVNRRZUIZKLSEW-KGLIPLIRSA-N 2 0 267.417 1.223 10 0 CDAERP CCCC(CCC)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031111 174024440 /nfs/dbraw/zinc/02/44/40/174024440.db2.gz XDGHEFDYMRWBBV-UHFFFAOYSA-N 2 0 255.406 1.319 10 0 CDAERP C[NH+](C)CCC[C@@H]1C[N@H+](CC2(O)CCCC2)CCO1 ZINC000662321382 414639823 /nfs/dbraw/zinc/63/98/23/414639823.db2.gz QWCVAUHHFLPRNZ-CQSZACIVSA-N 2 0 270.417 1.334 10 0 CDAERP C[NH2+]C[C@@H]1CCC[N@H+](CCC(=O)NC2CCCCC2)C1 ZINC000040600343 174350669 /nfs/dbraw/zinc/35/06/69/174350669.db2.gz ZXTXLZHGVOIJSR-AWEZNQCLSA-N 2 0 281.444 1.757 10 0 CDAERP CCN(CC)C(=O)CCC[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000040601039 174351146 /nfs/dbraw/zinc/35/11/46/174351146.db2.gz HSHHYKRIXJWHSL-CQSZACIVSA-N 2 0 269.433 1.566 10 0 CDAERP O[C@H](C[NH2+]C1CC1)CN1CCC([NH+]2CCCCC2)CC1 ZINC000040693899 174377933 /nfs/dbraw/zinc/37/79/33/174377933.db2.gz HRRWPZPMSQWAIK-MRXNPFEDSA-N 2 0 281.444 1.050 10 0 CDAERP [NH3+][C@H]1CCC[C@@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000040693957 174378009 /nfs/dbraw/zinc/37/80/09/174378009.db2.gz CKUPQPASNLSCFV-GJZGRUSLSA-N 2 0 251.418 1.817 10 0 CDAERP CCN(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1C[NH+]2CCC1CC2 ZINC000040747542 174392458 /nfs/dbraw/zinc/39/24/58/174392458.db2.gz MERNYURQJFOPHD-VFSICIBPSA-N 2 0 263.429 1.686 10 0 CDAERP COC(C[NH2+]C1[C@@H]2CCC[C@H]1C[N@H+](C(C)C)C2)OC ZINC000040769268 174399048 /nfs/dbraw/zinc/39/90/48/174399048.db2.gz GDGQPDVWRGKEHI-NNQSOWQGSA-N 2 0 270.417 1.704 10 0 CDAERP CCO[C@H]1CCCN(C2(C[NH3+])CC[NH+](C(C)C)CC2)C1 ZINC000042421615 174720020 /nfs/dbraw/zinc/72/00/20/174720020.db2.gz XVWRHDUELXOPCE-HNNXBMFYSA-N 2 0 283.460 1.689 10 0 CDAERP [NH3+]C[C@H](c1ccncc1)N1CC[NH+](CC2CC2)CC1 ZINC000043354229 175021580 /nfs/dbraw/zinc/02/15/80/175021580.db2.gz YLZHJWOKTYPZHV-OAHLLOKOSA-N 2 0 260.385 1.109 10 0 CDAERP C[NH+]1CCN([C@@H](C[NH3+])c2ccc(Cl)c(F)c2)CC1 ZINC000043390110 175033550 /nfs/dbraw/zinc/03/35/50/175033550.db2.gz REJLHQVLJCGXFW-ZDUSSCGKSA-N 2 0 271.767 1.726 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)CC[C@@H]2CCC[NH2+]C2)C1 ZINC000043590920 175073783 /nfs/dbraw/zinc/07/37/83/175073783.db2.gz ALJJPRCANXSHKL-KBPBESRZSA-N 2 0 267.417 1.367 10 0 CDAERP CC[NH+]1CCN([C@@H]2CCc3ccccc3[C@@H]2[NH2+]C)CC1 ZINC000043805914 175108591 /nfs/dbraw/zinc/10/85/91/175108591.db2.gz VEAVBRSFQUHNSB-SJORKVTESA-N 2 0 273.424 1.899 10 0 CDAERP C[NH2+][C@H](CN1CCC[N@H+](C)CC1)c1cc(C)ccc1OC ZINC000043818187 175112758 /nfs/dbraw/zinc/11/27/58/175112758.db2.gz DAMAGFVOQSPUGN-MRXNPFEDSA-N 2 0 291.439 1.902 10 0 CDAERP C[NH2+][C@@H]1c2ccccc2C[C@H]1N1CC[NH+](C2CC2)CC1 ZINC000043967553 175128539 /nfs/dbraw/zinc/12/85/39/175128539.db2.gz OIUBTBUXKDWHSG-IAGOWNOFSA-N 2 0 271.408 1.652 10 0 CDAERP C[NH2+][C@@H](CN1CC[NH+](C2CC2)CC1)c1ccccc1OC ZINC000043967529 175128584 /nfs/dbraw/zinc/12/85/84/175128584.db2.gz XTHQJYYSOFUADL-INIZCTEOSA-N 2 0 289.423 1.736 10 0 CDAERP CC[NH+]1CCC(N(C)[C@@H]2CCCC[C@@H]2[NH2+]C)CC1 ZINC000043978132 175133288 /nfs/dbraw/zinc/13/32/88/175133288.db2.gz DGGHHYJWBVFKRC-LSDHHAIUSA-N 2 0 253.434 1.933 10 0 CDAERP C[NH+](C)CC1CC[NH+]([C@@H]2CCCCC[C@H]2O)CC1 ZINC000044169689 175148315 /nfs/dbraw/zinc/14/83/15/175148315.db2.gz SLKQPPNCVXWVIW-HUUCEWRRSA-N 2 0 254.418 1.954 10 0 CDAERP [NH3+]C[C@H]1CCCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000044527973 175192603 /nfs/dbraw/zinc/19/26/03/175192603.db2.gz VTBIRNYVPYVIPW-IAGOWNOFSA-N 2 0 273.424 1.932 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@@H]1CCCC[NH2+]1 ZINC000044564922 175207739 /nfs/dbraw/zinc/20/77/39/175207739.db2.gz FZAVAQXJRDSBAZ-QWHCGFSZSA-N 2 0 253.390 1.119 10 0 CDAERP CCC[NH2+]CC(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000044646644 175223140 /nfs/dbraw/zinc/22/31/40/175223140.db2.gz LUJONBSXRIHBIJ-OAHLLOKOSA-N 2 0 293.411 1.414 10 0 CDAERP CCC[NH2+]CC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000044650665 175224200 /nfs/dbraw/zinc/22/42/00/175224200.db2.gz BTCYHSPSYBNWGN-UHFFFAOYSA-N 2 0 267.417 1.320 10 0 CDAERP CCC[NH2+]CC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000044651357 175224675 /nfs/dbraw/zinc/22/46/75/175224675.db2.gz LRMNXCJGHJSFHG-UHFFFAOYSA-N 2 0 255.406 1.224 10 0 CDAERP CN(C(=O)C1(C[NH3+])CCCCCC1)C1CC[NH+](C)CC1 ZINC000044753077 175245614 /nfs/dbraw/zinc/24/56/14/175245614.db2.gz LAIIXIVYXLKZMA-UHFFFAOYSA-N 2 0 281.444 1.838 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCCNC(=O)C1(C[NH3+])CCOCC1 ZINC000044762201 175246328 /nfs/dbraw/zinc/24/63/28/175246328.db2.gz DIULLDPZCGEDTF-AWEZNQCLSA-N 2 0 297.443 1.123 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)C2(C[NH3+])CCCCCC2)C1 ZINC000044763655 175247334 /nfs/dbraw/zinc/24/73/34/175247334.db2.gz WRODNGSRGMQWGV-AWEZNQCLSA-N 2 0 281.444 1.886 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@H](C[NH3+])Cc1ccccc1 ZINC000044806047 175256431 /nfs/dbraw/zinc/25/64/31/175256431.db2.gz SMSLDNMAHJUHIG-JKSUJKDBSA-N 2 0 291.439 1.506 10 0 CDAERP CC(C)OC[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000045134831 175312990 /nfs/dbraw/zinc/31/29/90/175312990.db2.gz RHWPZBLUZYZSNF-KBPBESRZSA-N 2 0 258.406 1.092 10 0 CDAERP CCC[NH+]1CCN(CCC[C@](C)([NH3+])C(=O)OCC)CC1 ZINC000045373979 175365685 /nfs/dbraw/zinc/36/56/85/175365685.db2.gz HVXKWWVTIZPHRQ-HNNXBMFYSA-N 2 0 285.432 1.075 10 0 CDAERP CC(C)[NH2+][C@](C)(CCCC[NH+]1CCCC1)C(N)=O ZINC000045375302 175366135 /nfs/dbraw/zinc/36/61/35/175366135.db2.gz YVGKDBFJZUKVPQ-CQSZACIVSA-N 2 0 255.406 1.495 10 0 CDAERP CC[NH2+][C@@](C)(CCCC[N@H+](C)[C@@H](C)CC)C(N)=O ZINC000045381295 175370179 /nfs/dbraw/zinc/37/01/79/175370179.db2.gz NRNYIDQCUHSXJM-JSGCOSHPSA-N 2 0 257.422 1.741 10 0 CDAERP CCC[N@H+](CCCC[C@](C)([NH2+]C)C(N)=O)C1CC1 ZINC000045387431 175372603 /nfs/dbraw/zinc/37/26/03/175372603.db2.gz ILBMBXCHMQOMNK-AWEZNQCLSA-N 2 0 255.406 1.495 10 0 CDAERP CC[N@H+](CCCC[C@](C)([NH2+]C(C)C)C(N)=O)C1CC1 ZINC000045386426 175372928 /nfs/dbraw/zinc/37/29/28/175372928.db2.gz IGGQBXRBACMSJS-HNNXBMFYSA-N 2 0 269.433 1.883 10 0 CDAERP COC(=O)[C@](C)([NH3+])CCCCN1CC[NH+](C(C)C)CC1 ZINC000045393793 175376045 /nfs/dbraw/zinc/37/60/45/175376045.db2.gz KUUKNGQRCFLVRE-OAHLLOKOSA-N 2 0 285.432 1.073 10 0 CDAERP COc1ccc(C[NH2+]CC2CC[NH+](CCO)CC2)cc1F ZINC000069418063 175828692 /nfs/dbraw/zinc/82/86/92/175828692.db2.gz MNIHFJXPNRRDIG-UHFFFAOYSA-N 2 0 296.386 1.628 10 0 CDAERP CC[NH2+][C@@H]1CCCN(C[C@@H](C)C[NH+]2CCCC2)C1=O ZINC000071031245 176022347 /nfs/dbraw/zinc/02/23/47/176022347.db2.gz XBUWLYLZKFHUNX-UONOGXRCSA-N 2 0 267.417 1.319 10 0 CDAERP CC[NH+](CC)CCC[C@H](C)N1CC[C@H]([NH2+]C2CC2)C1=O ZINC000071038071 176026438 /nfs/dbraw/zinc/02/64/38/176026438.db2.gz YPFLXFBNKHXYTG-ZFWWWQNUSA-N 2 0 281.444 1.850 10 0 CDAERP C[NH2+][C@H]1CCCN(CCC[N@H+](C)Cc2ccccc2)C1=O ZINC000071037932 176026489 /nfs/dbraw/zinc/02/64/89/176026489.db2.gz ILBLWWJUSBMVKA-INIZCTEOSA-N 2 0 289.423 1.719 10 0 CDAERP C[NH2+][C@H]1CCN(C[C@@H](c2cccc(OC)c2)[NH+](C)C)C1=O ZINC000071038307 176027036 /nfs/dbraw/zinc/02/70/36/176027036.db2.gz FBAGTMMUZMRXAU-GJZGRUSLSA-N 2 0 291.395 1.118 10 0 CDAERP CC[C@H]1CCC[C@H]([N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000071126379 176035599 /nfs/dbraw/zinc/03/55/99/176035599.db2.gz SHHUJNGMEFYGLB-KKUMJFAQSA-N 2 0 281.444 1.742 10 0 CDAERP CN(C[C@H]([NH3+])c1ccc2c(c1)OCO2)C[C@@H]1CC[N@H+](C)C1 ZINC000071188751 176063965 /nfs/dbraw/zinc/06/39/65/176063965.db2.gz MGWLSZHDUPHBMG-OCCSQVGLSA-N 2 0 291.395 1.299 10 0 CDAERP CCCC(C[NH3+])(CCC)C(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189088 176064149 /nfs/dbraw/zinc/06/41/49/176064149.db2.gz TWFBVEVRQSWWGC-CQSZACIVSA-N 2 0 283.460 1.942 10 0 CDAERP Cc1nn(C)c(N(C)C[C@@H]2CC[N@H+](C)C2)c1C[NH2+]C1CC1 ZINC000071190053 176065642 /nfs/dbraw/zinc/06/56/42/176065642.db2.gz XOQXKAPIEGPJLZ-CYBMUJFWSA-N 2 0 291.443 1.368 10 0 CDAERP CN([C@H]1CC[NH2+]C1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000071309808 176116986 /nfs/dbraw/zinc/11/69/86/176116986.db2.gz STJRMPHEMDSPES-SFHVURJKSA-N 2 0 287.451 1.987 10 0 CDAERP CCN(C[C@H]1C[N@H+](CC(C)C)CCO1)[C@@H]1CC[NH2+]C1 ZINC000071313733 176120091 /nfs/dbraw/zinc/12/00/91/176120091.db2.gz MHOPUBMEPGLVCJ-HUUCEWRRSA-N 2 0 269.433 1.027 10 0 CDAERP C[NH+](C)CCCC[NH2+]C1CN(C(=O)OC(C)(C)C)C1 ZINC000071335985 176127404 /nfs/dbraw/zinc/12/74/04/176127404.db2.gz QVOMEJSITGAYGR-UHFFFAOYSA-N 2 0 271.405 1.537 10 0 CDAERP C[C@@H]1[C@@H]([NH3+])CCC[C@@H]1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000071380136 176144049 /nfs/dbraw/zinc/14/40/49/176144049.db2.gz SSHNNCVUTNCNCM-QEJZJMRPSA-N 2 0 281.444 1.741 10 0 CDAERP C[C@@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000071380158 176144486 /nfs/dbraw/zinc/14/44/86/176144486.db2.gz ZBWQCXOMVBNSIB-BPLDGKMQSA-N 2 0 281.444 1.741 10 0 CDAERP CCC[C@H](CC[NH3+])CCC(=O)NCCC[NH+](C)C ZINC000079235374 177452808 /nfs/dbraw/zinc/45/28/08/177452808.db2.gz YDUWUKNUGYHVEC-ZDUSSCGKSA-N 2 0 257.422 1.600 10 0 CDAERP CCC[NH2+]C[C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001666621425 1173162475 /nfs/dbraw/zinc/16/24/75/1173162475.db2.gz YHNDFDMTNDBWAJ-STQMWFEESA-N 2 0 255.406 1.080 10 0 CDAERP Cc1[nH+]ccc(NC[C@@H]2C[NH2+]CCCO2)c1Cl ZINC000390217803 262158053 /nfs/dbraw/zinc/15/80/53/262158053.db2.gz MSTAFZQADBIMOT-JTQLQIEISA-N 2 0 255.749 1.256 10 0 CDAERP COCCOc1cccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)c1 ZINC000414955224 263160301 /nfs/dbraw/zinc/16/03/01/263160301.db2.gz MAHWYLRILQHTGX-CZUORRHYSA-N 2 0 278.396 1.799 10 0 CDAERP [NH3+][C@H](CNCc1nc2c(s1)C[NH2+]CC2)c1ccccc1 ZINC000663495584 423886605 /nfs/dbraw/zinc/88/66/05/423886605.db2.gz ZKECDURBZXUBBQ-GFCCVEGCSA-N 2 0 288.420 1.578 10 0 CDAERP CO[C@H](C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)C1CCC1 ZINC000662274915 423843142 /nfs/dbraw/zinc/84/31/42/423843142.db2.gz YNVBCZYMKQPUAY-HUUCEWRRSA-N 2 0 282.428 1.489 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000652215973 424069328 /nfs/dbraw/zinc/06/93/28/424069328.db2.gz FGCZCWNMSHJKNA-UONOGXRCSA-N 2 0 284.448 1.533 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000652215853 424070524 /nfs/dbraw/zinc/07/05/24/424070524.db2.gz BDCYUZRHVBKLBY-CABCVRRESA-N 2 0 290.411 1.475 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000652216995 424073614 /nfs/dbraw/zinc/07/36/14/424073614.db2.gz LPRARTUQNUSLEZ-KBPBESRZSA-N 2 0 284.448 1.404 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000652207396 424031821 /nfs/dbraw/zinc/03/18/21/424031821.db2.gz JNNDQBGYAZLHJK-GJZGRUSLSA-N 2 0 298.475 1.781 10 0 CDAERP C[NH+](C)[C@]1(CNC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)CCSC1 ZINC000653110869 424280991 /nfs/dbraw/zinc/28/09/91/424280991.db2.gz XGSZYKJRMMEWGN-YDHLFZDLSA-N 2 0 297.468 1.071 10 0 CDAERP CCO[C@@H]1CN([C@H](C)C(=O)N(C(C)C)C(C)C)C[C@H]1C[NH3+] ZINC000652357783 424308012 /nfs/dbraw/zinc/30/80/12/424308012.db2.gz ADAREORNUUVGSM-RBSFLKMASA-N 2 0 299.459 1.316 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000664719132 424326199 /nfs/dbraw/zinc/32/61/99/424326199.db2.gz OCGVCICKKVBWAL-SWLSCSKDSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655691613 424402774 /nfs/dbraw/zinc/40/27/74/424402774.db2.gz WXXZZVFPNCDKHX-WBVHZDCISA-N 2 0 295.471 1.704 10 0 CDAERP O=C(NC1CC([NH+]2CCCCC2)C1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655469722 424414262 /nfs/dbraw/zinc/41/42/62/424414262.db2.gz YUEUOILDECQCED-OCUYMYNFSA-N 2 0 291.439 1.509 10 0 CDAERP C[C@@H](CCCC[NH3+])NC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662779656 424446775 /nfs/dbraw/zinc/44/67/75/424446775.db2.gz LJMLIQDBKZKDFE-NSHDSACASA-N 2 0 253.390 1.295 10 0 CDAERP O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C1([NH2+]C2CC2)CCC1 ZINC000662835607 424518217 /nfs/dbraw/zinc/51/82/17/424518217.db2.gz PYQJQINDRHHRHU-GJZGRUSLSA-N 2 0 291.439 1.794 10 0 CDAERP CCC[N@H+](C)CC(=O)NCCC[NH+](C)CC(C)C ZINC000652522705 424520596 /nfs/dbraw/zinc/52/05/96/424520596.db2.gz SZFPEEKZGBLWMP-UHFFFAOYSA-N 2 0 257.422 1.422 10 0 CDAERP CCN(C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1CC[N@H+](CC)C1 ZINC000665255067 424474540 /nfs/dbraw/zinc/47/45/40/424474540.db2.gz HZODYIDZTRWNNH-KFWWJZLASA-N 2 0 296.459 1.452 10 0 CDAERP O=C(N[C@@H]1CC[NH2+]C12CCCC2)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655482902 424479610 /nfs/dbraw/zinc/47/96/10/424479610.db2.gz ORFWYHUWEQUJHR-NFAWXSAZSA-N 2 0 277.412 1.167 10 0 CDAERP CCC(C)(C)[NH+]1CCN(C(=O)CC[C@H](C)[NH3+])CC1 ZINC000655494645 424536720 /nfs/dbraw/zinc/53/67/20/424536720.db2.gz LUPNUPYLJXQOLN-LBPRGKRZSA-N 2 0 255.406 1.447 10 0 CDAERP C[NH+](C)CCC[C@H]1CN(C(=O)CCC(C)(C)[NH3+])CCO1 ZINC000662973731 424580334 /nfs/dbraw/zinc/58/03/34/424580334.db2.gz URBSVWGQNPIISY-ZDUSSCGKSA-N 2 0 285.432 1.073 10 0 CDAERP CC(C)[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCCF ZINC001667440252 1173267581 /nfs/dbraw/zinc/26/75/81/1173267581.db2.gz HQDVOTXWESZEIR-QWHCGFSZSA-N 2 0 273.396 1.171 10 0 CDAERP COC(=O)C1(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)CC1 ZINC000258983154 270309347 /nfs/dbraw/zinc/30/93/47/270309347.db2.gz MHGWSGYQRDGTIO-GFCCVEGCSA-N 2 0 254.374 1.213 10 0 CDAERP C[C@@]1(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)CC[NH2+]C1 ZINC000515650284 270450210 /nfs/dbraw/zinc/45/02/10/270450210.db2.gz QINSFWMTQHCULT-GOEBONIOSA-N 2 0 282.428 1.504 10 0 CDAERP COCC[C@H](C)[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530239840 271177415 /nfs/dbraw/zinc/17/74/15/271177415.db2.gz IAJJHXQGUBRWFN-DZGCQCFKSA-N 2 0 270.417 1.502 10 0 CDAERP C(C[NH2+][C@H]1CCC[C@@H]([C@@H]2CCOC2)C1)CN1CC[NH2+]CC1 ZINC000423194738 275394215 /nfs/dbraw/zinc/39/42/15/275394215.db2.gz YMNHYHKSFFPCFM-ZACQAIPSSA-N 2 0 295.471 1.467 10 0 CDAERP CC(C)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001668112808 1173371016 /nfs/dbraw/zinc/37/10/16/1173371016.db2.gz MGYFARQZDFWUMZ-KBPBESRZSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@H](CC[NH2+]CCF)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001668162270 1173375660 /nfs/dbraw/zinc/37/56/60/1173375660.db2.gz CFYBEYJTSKKDCE-GFCCVEGCSA-N 2 0 273.396 1.315 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000250212994 276372758 /nfs/dbraw/zinc/37/27/58/276372758.db2.gz CVIOJPJTBGGAJB-TUVASFSCSA-N 2 0 279.428 1.508 10 0 CDAERP C[C@@]1(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)CC[NH2+]C1 ZINC000261994316 278121879 /nfs/dbraw/zinc/12/18/79/278121879.db2.gz KOUMLVSCGDJKID-HUUCEWRRSA-N 2 0 252.402 1.735 10 0 CDAERP C[C@H](CC[NH3+])NC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000417196739 278171712 /nfs/dbraw/zinc/17/17/12/278171712.db2.gz PLWMNDMMLDXSAQ-UKRRQHHQSA-N 2 0 292.427 1.196 10 0 CDAERP C[C@@H](NC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)[C@H](C)[NH3+] ZINC000416841835 278325704 /nfs/dbraw/zinc/32/57/04/278325704.db2.gz MOUIVOJKQHIQFQ-GZBFAFLISA-N 2 0 292.427 1.194 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+]3CCCC[C@@H]3C2)C1 ZINC000105174460 279293864 /nfs/dbraw/zinc/29/38/64/279293864.db2.gz REKWZWMYYWNNDP-HUUCEWRRSA-N 2 0 294.443 1.350 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000341056959 279352369 /nfs/dbraw/zinc/35/23/69/279352369.db2.gz JDJYNJRPPNZXAJ-KBPBESRZSA-N 2 0 269.433 1.706 10 0 CDAERP CC(C)[N@H+](C)CCN[C@@H]1CC[NH+](C)[C@H]2CCC[C@H]21 ZINC000353497575 279360185 /nfs/dbraw/zinc/36/01/85/279360185.db2.gz PMLFJABIFPJKTD-ZNMIVQPWSA-N 2 0 253.434 1.789 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119391982 279362832 /nfs/dbraw/zinc/36/28/32/279362832.db2.gz WLZODDASQQRRSX-UHFFFAOYSA-N 2 0 298.475 1.746 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1COc2ccc(F)cc2C1 ZINC000423124937 279370736 /nfs/dbraw/zinc/37/07/36/279370736.db2.gz PKKNFMNGHNZFRS-CWSCBRNRSA-N 2 0 252.333 1.845 10 0 CDAERP C[C@@H]1CN(C2CC[NH+](C3CC3)CC2)C[C@@]1(C)C[NH3+] ZINC000335028740 288134510 /nfs/dbraw/zinc/13/45/10/288134510.db2.gz UMONMDPNNIFCDD-IUODEOHRSA-N 2 0 251.418 1.530 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+]CCC[NH+](C)C)C12CCOCC2 ZINC000186200276 279928775 /nfs/dbraw/zinc/92/87/75/279928775.db2.gz JBJUWPXJZBFSHC-UONOGXRCSA-N 2 0 270.417 1.502 10 0 CDAERP CC[C@@H](NCC[N@H+]1CC=C(C)CC1)[C@@H]1CCC[NH2+]1 ZINC000423040890 280187354 /nfs/dbraw/zinc/18/73/54/280187354.db2.gz VFXKEOXXEOZCBX-CABCVRRESA-N 2 0 251.418 1.759 10 0 CDAERP CC[NH+](CC)CCNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246111547 280255121 /nfs/dbraw/zinc/25/51/21/280255121.db2.gz HUZPHSYZRGCHJD-UONOGXRCSA-N 2 0 284.448 1.452 10 0 CDAERP CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000519635214 281033673 /nfs/dbraw/zinc/03/36/73/281033673.db2.gz WUUSJRJROPKNGR-NWDGAFQWSA-N 2 0 291.399 1.051 10 0 CDAERP CC1(C)CN(C(=O)C[C@@H]2CCC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000335734501 281165976 /nfs/dbraw/zinc/16/59/76/281165976.db2.gz OOEPLZUHZDPBJA-CHWSQXEVSA-N 2 0 267.417 1.352 10 0 CDAERP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccnc(C)c2)CC1 ZINC000527641653 281166270 /nfs/dbraw/zinc/16/62/70/281166270.db2.gz WUUMJPFBLJQRQY-HNNXBMFYSA-N 2 0 276.428 1.506 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000261627137 288302794 /nfs/dbraw/zinc/30/27/94/288302794.db2.gz HHSJTBAFXXVIDR-BMFZPTHFSA-N 2 0 293.455 1.979 10 0 CDAERP CC(C)(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)N1CCCC1 ZINC000527813955 281190945 /nfs/dbraw/zinc/19/09/45/281190945.db2.gz XCAHOQBTJBRWSF-HUUCEWRRSA-N 2 0 293.455 1.851 10 0 CDAERP CCN(CC[NH2+]Cc1ccccc1C)C(=O)CC[NH+](C)C ZINC001668541627 1173423920 /nfs/dbraw/zinc/42/39/20/1173423920.db2.gz AVQMCJCNJVIHNO-UHFFFAOYSA-N 2 0 291.439 1.885 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000055087436 282050098 /nfs/dbraw/zinc/05/00/98/282050098.db2.gz RXTCIMUTTITSHO-RYUDHWBXSA-N 2 0 253.390 1.057 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)NC(C)(C)C[NH+](C)C)CC1 ZINC000458574236 289101601 /nfs/dbraw/zinc/10/16/01/289101601.db2.gz NWYRCZUVPVUPKT-UHFFFAOYSA-N 2 0 298.475 1.746 10 0 CDAERP C[NH+](C)CC1CCN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000234216539 289105326 /nfs/dbraw/zinc/10/53/26/289105326.db2.gz CLFCPIFFBMNLQE-AWEZNQCLSA-N 2 0 281.444 1.565 10 0 CDAERP CCC[C@H](C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)[NH+](C)C ZINC000153890212 289185400 /nfs/dbraw/zinc/18/54/00/289185400.db2.gz IXNNTXBJBLHHFJ-BFHYXJOUSA-N 2 0 269.433 1.562 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000261812441 289285313 /nfs/dbraw/zinc/28/53/13/289285313.db2.gz RZDVMGDYZBAZEE-OAGGEKHMSA-N 2 0 295.471 1.988 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)CC(F)(F)F)[C@@H](C)C1 ZINC000253296416 289341668 /nfs/dbraw/zinc/34/16/68/289341668.db2.gz SFLAWWGWCKPMFR-TUAOUCFPSA-N 2 0 282.350 1.962 10 0 CDAERP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000234263566 289371618 /nfs/dbraw/zinc/37/16/18/289371618.db2.gz PZMXWPMTMPBBEC-STQMWFEESA-N 2 0 267.417 1.317 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N(C)CCC[NH+](C)C ZINC000542743476 289559094 /nfs/dbraw/zinc/55/90/94/289559094.db2.gz ZIRYNLNGRLKHRY-GJZGRUSLSA-N 2 0 298.475 1.842 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NCCCC[NH+]2CCC[C@H](C)C2)C1 ZINC000552996867 290089500 /nfs/dbraw/zinc/08/95/00/290089500.db2.gz JTFYRJYLPNVKCR-JKSUJKDBSA-N 2 0 295.471 1.957 10 0 CDAERP C[N@@H+]1CC[C@H](NC[C@]2(C)CCC[NH2+]C2)[C@H]2CCC[C@H]21 ZINC000423348731 290220520 /nfs/dbraw/zinc/22/05/20/290220520.db2.gz UNYBYGUWYDEMDC-QKPAOTATSA-N 2 0 265.445 1.839 10 0 CDAERP C[N@@H+]1CC[C@H](N[C@@H]2C[NH2+]CCC2(F)F)[C@H]2CCC[C@H]21 ZINC000423485488 290225210 /nfs/dbraw/zinc/22/52/10/290225210.db2.gz RSTCVEHBFADQAH-YVECIDJPSA-N 2 0 273.371 1.446 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000561259464 293069958 /nfs/dbraw/zinc/06/99/58/293069958.db2.gz PNGSLENULKPOCP-LSDHHAIUSA-N 2 0 279.428 1.273 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000563110467 293277528 /nfs/dbraw/zinc/27/75/28/293277528.db2.gz WVGJIQKMWYFHEC-MCIONIFRSA-N 2 0 267.417 1.365 10 0 CDAERP [NH3+]C[C@H]1CC[C@H](CNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)CC1 ZINC000568372460 294022802 /nfs/dbraw/zinc/02/28/02/294022802.db2.gz ARHXBGDHCVKLFI-YDHLFZDLSA-N 2 0 294.443 1.287 10 0 CDAERP COC(=O)CC1(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC000569003934 294140526 /nfs/dbraw/zinc/14/05/26/294140526.db2.gz WHMYJKOBNAOVQI-HNNXBMFYSA-N 2 0 266.385 1.405 10 0 CDAERP CCC[NH2+][C@H](C)C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000569014022 294142697 /nfs/dbraw/zinc/14/26/97/294142697.db2.gz IFIQIXCJWGPWLE-LKSINWNRSA-N 2 0 253.390 1.104 10 0 CDAERP CO[C@H](C)[C@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423521820 294333155 /nfs/dbraw/zinc/33/31/55/294333155.db2.gz UBBCNEREXBMENZ-ZUJMUWTESA-N 2 0 269.433 1.216 10 0 CDAERP CC[N@@H+]1CCCN(C(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000571149574 294376763 /nfs/dbraw/zinc/37/67/63/294376763.db2.gz LDCZCTXSZOFVKE-UHFFFAOYSA-N 2 0 296.459 1.775 10 0 CDAERP COc1cc([C@@H](C)[NH2+]CCN2CC[NH2+]CC2)ccc1F ZINC000423205151 295019135 /nfs/dbraw/zinc/01/91/35/295019135.db2.gz PACKTSABFWGGEU-GFCCVEGCSA-N 2 0 281.375 1.390 10 0 CDAERP C[C@H](F)CC[NH2+]C/C=C\CNC(=O)C12CC[NH+](CC1)C2 ZINC001669139599 1173508402 /nfs/dbraw/zinc/50/84/02/1173508402.db2.gz PQRDNCQUAIHZRE-ZRMMWKCHSA-N 2 0 283.391 1.092 10 0 CDAERP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CC1CC[NH2+]CC1 ZINC000251537168 300310014 /nfs/dbraw/zinc/31/00/14/300310014.db2.gz AOPDBDQEKGQXRJ-ZFWWWQNUSA-N 2 0 279.428 1.461 10 0 CDAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CC1(C[NH3+])CCCCC1 ZINC000248862278 300317592 /nfs/dbraw/zinc/31/75/92/300317592.db2.gz GMYUWSBRPCEHDI-GJZGRUSLSA-N 2 0 293.455 1.981 10 0 CDAERP C[C@H]1[NH2+]CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)[C@H]1C ZINC000334926037 300576661 /nfs/dbraw/zinc/57/66/61/300576661.db2.gz WFOFTCFRUKPZFO-DNDYEEKYSA-N 2 0 296.459 1.499 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001669320701 1173536612 /nfs/dbraw/zinc/53/66/12/1173536612.db2.gz PYDXMSWIDWQXQF-ZIAGYGMSSA-N 2 0 269.433 1.611 10 0 CDAERP Cn1nccc1[C@H]1CCCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420362156 303088403 /nfs/dbraw/zinc/08/84/03/303088403.db2.gz ANQHLOXFMVLULT-DZGCQCFKSA-N 2 0 262.401 1.947 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418407818 303398882 /nfs/dbraw/zinc/39/88/82/303398882.db2.gz MBWNSWYKGJDYBD-ZNMIVQPWSA-N 2 0 290.411 1.503 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NCC[C@H]2CCC[NH+](C)C2)C1 ZINC000576171673 317091026 /nfs/dbraw/zinc/09/10/26/317091026.db2.gz TWJIFPQLVQHQDQ-ZIAGYGMSSA-N 2 0 267.417 1.176 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NC[C@@H](C2CC2)[NH+](C)C)CC[N@@H+]1C ZINC000579290809 324147573 /nfs/dbraw/zinc/14/75/73/324147573.db2.gz MFRWWAYZPZHOGL-UBHSHLNASA-N 2 0 267.417 1.173 10 0 CDAERP CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000579493070 324205990 /nfs/dbraw/zinc/20/59/90/324205990.db2.gz YNITTWQTHHYFFR-LSDHHAIUSA-N 2 0 299.459 1.070 10 0 CDAERP CC1(C)NC(=O)CC[C@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000582651729 325015804 /nfs/dbraw/zinc/01/58/04/325015804.db2.gz WDYQJPKNDBVVDY-CYBMUJFWSA-N 2 0 272.352 1.481 10 0 CDAERP C[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000582842687 325054825 /nfs/dbraw/zinc/05/48/25/325054825.db2.gz IVTRFHKYOUBMNY-BXUZGUMPSA-N 2 0 293.386 1.502 10 0 CDAERP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CC[C@H](C)F ZINC001418730677 1159168818 /nfs/dbraw/zinc/16/88/18/1159168818.db2.gz OIFMZPBEWQDACL-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP CCC[NH2+][C@@H](CC)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001698609905 1175871322 /nfs/dbraw/zinc/87/13/22/1175871322.db2.gz HVSGJVWRCYCQBZ-IHRRRGAJSA-N 2 0 269.433 1.611 10 0 CDAERP CC1CC(C[NH2+]CCN(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001691476868 1159335570 /nfs/dbraw/zinc/33/55/70/1159335570.db2.gz UMDHBJVCGVABEX-WLYUNCDWSA-N 2 0 281.444 1.422 10 0 CDAERP CC(C)C[N@H+](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001699467056 1176427806 /nfs/dbraw/zinc/42/78/06/1176427806.db2.gz FSBWLKXQRDBELH-ZDUSSCGKSA-N 2 0 267.417 1.175 10 0 CDAERP CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001715981992 1159768399 /nfs/dbraw/zinc/76/83/99/1159768399.db2.gz AHZPKARWOSVUOG-QWHCGFSZSA-N 2 0 255.406 1.221 10 0 CDAERP C[C@@H](C[NH2+]CCCO)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001268064987 1159771199 /nfs/dbraw/zinc/77/11/99/1159771199.db2.gz XDXKHKFJALFSAA-AWEZNQCLSA-N 2 0 299.459 1.070 10 0 CDAERP CCC[NH+]1CCC(NC(=O)C[C@H]([NH3+])C(C)C)CC1 ZINC000136429550 482205172 /nfs/dbraw/zinc/20/51/72/482205172.db2.gz OBFFYBCQWWPFNS-ZDUSSCGKSA-N 2 0 255.406 1.350 10 0 CDAERP COC[C@H](C)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668785784 482313908 /nfs/dbraw/zinc/31/39/08/482313908.db2.gz XGODRHGBKVSYNC-ZIAGYGMSSA-N 2 0 258.406 1.312 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000227432928 482458987 /nfs/dbraw/zinc/45/89/87/482458987.db2.gz PBEMEMUEEIGELR-YNEHKIRRSA-N 2 0 255.406 1.208 10 0 CDAERP C[C@@H]([NH2+]CCC1(CO)CCC1)C1CC[NH+](C)CC1 ZINC000652310326 482460721 /nfs/dbraw/zinc/46/07/21/482460721.db2.gz COUMWMXPHRKYKA-CYBMUJFWSA-N 2 0 254.418 1.859 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC(=O)N(C)CC1 ZINC000668620187 482492053 /nfs/dbraw/zinc/49/20/53/482492053.db2.gz CEZQKTASSAXVKQ-UHFFFAOYSA-N 2 0 299.378 1.240 10 0 CDAERP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](CO)C2CCC2)CC1 ZINC000661156909 482498973 /nfs/dbraw/zinc/49/89/73/482498973.db2.gz ZHPXDVJDASZXNS-INIZCTEOSA-N 2 0 283.460 1.153 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000417285482 482578363 /nfs/dbraw/zinc/57/83/63/482578363.db2.gz HKEILUHQQJCMCZ-RWMBFGLXSA-N 2 0 270.421 1.014 10 0 CDAERP CCCN(CC[NH+]1CCCC1)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000672754254 482600184 /nfs/dbraw/zinc/60/01/84/482600184.db2.gz XZLPZWLXDCEJEN-HNNXBMFYSA-N 2 0 296.459 1.598 10 0 CDAERP C[C@H]1CC[C@@H]([NH2+]CCCC[NH+]2CCOCC2)CS1 ZINC000655692332 482669031 /nfs/dbraw/zinc/66/90/31/482669031.db2.gz OSKKHOZHBYAACE-UONOGXRCSA-N 2 0 272.458 1.973 10 0 CDAERP CC[C@H]1CN(C(=O)NC[C@@H](C)[NH+](CC)CC)CC[C@H]1[NH3+] ZINC000669574044 482769675 /nfs/dbraw/zinc/76/96/75/482769675.db2.gz CXBKNNZEDZNOAT-HZSPNIEDSA-N 2 0 284.448 1.486 10 0 CDAERP [NH3+][C@H]1CCC[C@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000669575226 482778895 /nfs/dbraw/zinc/77/88/95/482778895.db2.gz WLBKCORIAHJNJT-HESLUPGFSA-N 2 0 294.443 1.572 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000684390680 482788099 /nfs/dbraw/zinc/78/80/99/482788099.db2.gz KRHQXQIWFIHTJK-SOUVJXGZSA-N 2 0 272.433 1.890 10 0 CDAERP [NH3+][C@H](CC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000335849409 482877421 /nfs/dbraw/zinc/87/74/21/482877421.db2.gz MBMZWRONGYDEIT-NVXWUHKLSA-N 2 0 287.407 1.679 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000136425075 482918325 /nfs/dbraw/zinc/91/83/25/482918325.db2.gz VMBBTPSPDXUCAO-HUUCEWRRSA-N 2 0 277.412 1.779 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NCc1ccc(C(=O)NC2CC2)cc1 ZINC000666860488 482954483 /nfs/dbraw/zinc/95/44/83/482954483.db2.gz HRDQAFJMHSOIHG-MLGOLLRUSA-N 2 0 287.407 1.666 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(C(=O)NC2CC2)cc1 ZINC000666878520 482959951 /nfs/dbraw/zinc/95/99/51/482959951.db2.gz DYPSAMCXAIALPI-WBMJQRKESA-N 2 0 287.407 1.666 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCCN(c3ncccn3)C2)C1 ZINC000250157259 483014477 /nfs/dbraw/zinc/01/44/77/483014477.db2.gz DUFNLDKRTUJASR-RDBSUJKOSA-N 2 0 275.400 1.305 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000251868831 483084820 /nfs/dbraw/zinc/08/48/20/483084820.db2.gz TWMGQTYDOMZBHJ-LXTVHRRPSA-N 2 0 279.428 1.447 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCCCCn1ccnc1 ZINC000089461096 483088467 /nfs/dbraw/zinc/08/84/67/483088467.db2.gz QYAHNFYUYOAIBR-QWHCGFSZSA-N 2 0 264.373 1.155 10 0 CDAERP Cn1cncc1CCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000315028166 483303660 /nfs/dbraw/zinc/30/36/60/483303660.db2.gz GJUFYCORNDCRLS-HOCLYGCPSA-N 2 0 276.428 1.817 10 0 CDAERP CO[C@@H]1CCC[C@H]([NH2+][C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000684378064 483317304 /nfs/dbraw/zinc/31/73/04/483317304.db2.gz YCCTYYDUTDJSAQ-QLFBSQMISA-N 2 0 269.433 1.170 10 0 CDAERP OC[C@@H]1CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667569830 483336771 /nfs/dbraw/zinc/33/67/71/483336771.db2.gz UGTLCIZKBRQREF-GFCCVEGCSA-N 2 0 258.325 1.082 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000136348157 483394683 /nfs/dbraw/zinc/39/46/83/483394683.db2.gz CZHKNFIFMDQXPE-HNNXBMFYSA-N 2 0 293.411 1.939 10 0 CDAERP C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)CC1(O)CCC1 ZINC000667986900 483513797 /nfs/dbraw/zinc/51/37/97/483513797.db2.gz QLJIIYUJTKDODL-UHFFFAOYSA-N 2 0 272.352 1.614 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000683542104 483574444 /nfs/dbraw/zinc/57/44/44/483574444.db2.gz BXNGSXIXLMFFPM-CQSZACIVSA-N 2 0 294.443 1.254 10 0 CDAERP CC(C)[NH2+]C[C@H]1CC[C@@H](C[NH+]2CCN(C3CC3)CC2)O1 ZINC000052371399 519725861 /nfs/dbraw/zinc/72/58/61/519725861.db2.gz SQJOLCNJCXJZDW-CVEARBPZSA-N 2 0 281.444 1.312 10 0 CDAERP CCC/C=C/CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001483256602 1160884641 /nfs/dbraw/zinc/88/46/41/1160884641.db2.gz YQHVYKDQLAYQTO-MFHOCJEASA-N 2 0 281.444 1.921 10 0 CDAERP C[C@@H](C[NH2+]C/C=C/Cl)NC(=O)CC1CC[NH+](C)CC1 ZINC001483272136 1160888774 /nfs/dbraw/zinc/88/87/74/1160888774.db2.gz LRKUSZYXRCUIJD-UXONFWTHSA-N 2 0 287.835 1.565 10 0 CDAERP CCCC1CC[NH+](CCCC[C@](C)([NH3+])C(N)=O)CC1 ZINC000050905923 519900813 /nfs/dbraw/zinc/90/08/13/519900813.db2.gz QTPMPNNPAHZSEM-HNNXBMFYSA-N 2 0 269.433 1.872 10 0 CDAERP CC[NH2+]CCC(=O)N(CC[NH+](C)C)Cc1ccc(C)o1 ZINC000061296580 519915918 /nfs/dbraw/zinc/91/59/18/519915918.db2.gz PDLXRVYRBMTBBC-UHFFFAOYSA-N 2 0 281.400 1.478 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@H](C[N@@H+]2CCOCC2(C)C)O1 ZINC000052546188 519938383 /nfs/dbraw/zinc/93/83/83/519938383.db2.gz JQMKFWZMKUWDNG-ZIAGYGMSSA-N 2 0 270.417 1.644 10 0 CDAERP CC[NH2+]Cc1cc(C[N@H+](CCCOC)CCOC)on1 ZINC000052543253 519987977 /nfs/dbraw/zinc/98/79/77/519987977.db2.gz JYPCWLCRQISUCB-UHFFFAOYSA-N 2 0 285.388 1.269 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000061272936 520065734 /nfs/dbraw/zinc/06/57/34/520065734.db2.gz ZKTNEJIZMXZVIU-KBPBESRZSA-N 2 0 269.433 1.613 10 0 CDAERP CCC[NH2+][C@](C)(C[C@@H](C)N1CCC[C@@H]1C[NH+](C)C)C(N)=O ZINC000068642814 520112357 /nfs/dbraw/zinc/11/23/57/520112357.db2.gz CWRIVTJGTLROKE-IIAWOOMASA-N 2 0 298.475 1.035 10 0 CDAERP CCC[NH2+][C@](C)(C[C@H](C)N(C)CC[NH+]1CCCC1)C(N)=O ZINC000068646231 520114415 /nfs/dbraw/zinc/11/44/15/520114415.db2.gz LOZRQWOYARSFNP-GOEBONIOSA-N 2 0 298.475 1.036 10 0 CDAERP CC[NH2+][C@@](C)(C[C@H](C)N(C)C1CC[NH+](CC)CC1)C(N)=O ZINC000068635125 520141877 /nfs/dbraw/zinc/14/18/77/520141877.db2.gz INFQRFLUEMWITI-BBRMVZONSA-N 2 0 298.475 1.035 10 0 CDAERP CC[NH2+][C@H](C)C1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000068875157 520162127 /nfs/dbraw/zinc/16/21/27/520162127.db2.gz LJIGOIGGZXIZIT-KOLCDFICSA-N 2 0 268.323 1.620 10 0 CDAERP O=C(CC[NH+]1CCCCC1)N1CCC[C@H]1C[NH2+]CCCF ZINC001733353482 1161302469 /nfs/dbraw/zinc/30/24/69/1161302469.db2.gz GCOTVHUIADDFDJ-HNNXBMFYSA-N 2 0 299.434 1.803 10 0 CDAERP CC[C@@H](C)[N@H+](CCOC)Cc1cc(C[NH2+]C)no1 ZINC000052547319 522093138 /nfs/dbraw/zinc/09/31/38/522093138.db2.gz DDDXYZZWZURRPX-LLVKDONJSA-N 2 0 255.362 1.641 10 0 CDAERP C[NH2+]Cc1cnc(N2CC[NH+](CC3CC3)CC2)s1 ZINC000054909658 522146525 /nfs/dbraw/zinc/14/65/25/522146525.db2.gz UXQCCSYOQVCPTA-UHFFFAOYSA-N 2 0 266.414 1.395 10 0 CDAERP CC(C)CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001717467219 1180687955 /nfs/dbraw/zinc/68/79/55/1180687955.db2.gz XZHIECDTESAJFJ-KBPBESRZSA-N 2 0 269.433 1.563 10 0 CDAERP C[NH2+][C@](C)(CCCC[N@@H+]1CCCC(C)(C)C1)C(N)=O ZINC000069516477 522514024 /nfs/dbraw/zinc/51/40/24/522514024.db2.gz NUWGWRDIACZLQO-OAHLLOKOSA-N 2 0 269.433 1.742 10 0 CDAERP CCC[NH2+]C[C@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)C ZINC001725759436 1182121375 /nfs/dbraw/zinc/12/13/75/1182121375.db2.gz WUVNVJVYMOAARA-ZDUSSCGKSA-N 2 0 271.449 1.857 10 0 CDAERP CCCCC[N@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001732597520 1183040301 /nfs/dbraw/zinc/04/03/01/1183040301.db2.gz AGTJAYJNLSDECM-UHFFFAOYSA-N 2 0 269.433 1.663 10 0 CDAERP C[N@@H+]1CC[C@]2(CC[NH+](CC3CCC(O)CC3)C2)C1 ZINC000311089531 1186680726 /nfs/dbraw/zinc/68/07/26/1186680726.db2.gz NQDUVRFZEBNCDM-NRXISQOPSA-N 2 0 252.402 1.565 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)CC[C@H]2CCCC[NH2+]2)CC1 ZINC000050944864 519671190 /nfs/dbraw/zinc/67/11/90/519671190.db2.gz SNGKNXXUJIWGRC-CQSZACIVSA-N 2 0 281.444 1.898 10 0 CDAERP CC(C)CN(CC[NH2+]C1CCOCC1)CC[NH+](C)C ZINC000062767761 519717134 /nfs/dbraw/zinc/71/71/34/519717134.db2.gz POPVXPDXJRRACA-UHFFFAOYSA-N 2 0 271.449 1.275 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)[C@H]2CC[C@H](C)[C@@H]([NH3+])C2)CC1 ZINC000055132071 519724960 /nfs/dbraw/zinc/72/49/60/519724960.db2.gz UOWXVRPXHDAFTA-KKUMJFAQSA-N 2 0 281.444 1.550 10 0 CDAERP CC(C)C[NH+]1CCN([C@@H](C)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000055075637 519727566 /nfs/dbraw/zinc/72/75/66/519727566.db2.gz UEDCYGOYFUBZDO-HOTGVXAUSA-N 2 0 283.460 1.417 10 0 CDAERP CC(C)[NH2+][C@@](C)(CO)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000070336867 519735969 /nfs/dbraw/zinc/73/59/69/519735969.db2.gz XWDYRCVWQJYLJC-QGZVFWFLSA-N 2 0 297.487 1.543 10 0 CDAERP CC(C)C[NH2+]C[C@H](C(C)C)N1CCN(CC[NH+](C)C)CC1 ZINC000061654979 519745662 /nfs/dbraw/zinc/74/56/62/519745662.db2.gz VRJNSENLJSYYIL-QGZVFWFLSA-N 2 0 298.519 1.436 10 0 CDAERP CC(C)[C@@H](CNC(=O)CC[C@H](C)[NH3+])[NH+]1CCCC1 ZINC000070317486 519794405 /nfs/dbraw/zinc/79/44/05/519794405.db2.gz FJPZIMLHXMGGQA-QWHCGFSZSA-N 2 0 255.406 1.350 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)[C@H]([NH3+])c2ccccc2)CC1 ZINC000236771215 519842914 /nfs/dbraw/zinc/84/29/14/519842914.db2.gz NJCBBNRMHYTFCI-MRXNPFEDSA-N 2 0 289.423 1.925 10 0 CDAERP CCC[NH+]1CCN(C[C@@](C)([NH3+])c2ccccc2)CC1 ZINC000052883244 519858766 /nfs/dbraw/zinc/85/87/66/519858766.db2.gz OVZWVOGSFDAZDJ-MRXNPFEDSA-N 2 0 261.413 1.888 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000061298556 519905148 /nfs/dbraw/zinc/90/51/48/519905148.db2.gz ASRUTNWXHBAKRS-LLVKDONJSA-N 2 0 283.441 1.855 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000061265800 519935002 /nfs/dbraw/zinc/93/50/02/519935002.db2.gz VCVDDPDQRWPPAG-CYBMUJFWSA-N 2 0 255.406 1.032 10 0 CDAERP CCC[NH2+]Cc1ccc(N2CCC[C@@H]2C[NH+](C)C)nn1 ZINC000061654239 519950366 /nfs/dbraw/zinc/95/03/66/519950366.db2.gz OJRLOFNVJREQNI-CQSZACIVSA-N 2 0 277.416 1.507 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@@H](CN2CC[C@H]([NH+](CC)CC)C2)O1 ZINC000062972074 519980295 /nfs/dbraw/zinc/98/02/95/519980295.db2.gz USRSOWGHOARCPR-XHSDSOJGSA-N 2 0 283.460 1.560 10 0 CDAERP CCC[NH2+][C@@H](CN(C)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC000069075610 520009300 /nfs/dbraw/zinc/00/93/00/520009300.db2.gz XKEMYESNJXHJQZ-HIFRSBDPSA-N 2 0 253.434 1.648 10 0 CDAERP CC[NH2+][C@H]1CCC[C@H]1N1CC[NH+](CC(C)C)CC1 ZINC000055079339 520215818 /nfs/dbraw/zinc/21/58/18/520215818.db2.gz SYLUOEIXNRLDGF-LSDHHAIUSA-N 2 0 253.434 1.791 10 0 CDAERP CCCC[N@H+](CCO)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052182683 520522508 /nfs/dbraw/zinc/52/25/08/520522508.db2.gz LUWRNFQVFCWLQY-UHFFFAOYSA-N 2 0 286.460 1.876 10 0 CDAERP CCCC[C@@H](CC)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000069382281 521038429 /nfs/dbraw/zinc/03/84/29/521038429.db2.gz BCYZYRKOHYGLLE-UONOGXRCSA-N 2 0 269.433 1.742 10 0 CDAERP CCOC(=O)[C@@](C)(N)C[C@H](C)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000068646416 521157377 /nfs/dbraw/zinc/15/73/77/521157377.db2.gz GRQMRFKNBVHRQU-BBRMVZONSA-N 2 0 299.459 1.319 10 0 CDAERP CC[N@H+](CCn1cc(C[NH2+]C(C)(C)C)nn1)C1CC1 ZINC000052452063 521184790 /nfs/dbraw/zinc/18/47/90/521184790.db2.gz IFLLHJAYGSTQFS-UHFFFAOYSA-N 2 0 265.405 1.651 10 0 CDAERP CCC([NH3+])(CC)CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000236790674 521649526 /nfs/dbraw/zinc/64/95/26/521649526.db2.gz VYPYQZVFMFYWQQ-AGIUHOORSA-N 2 0 267.417 1.541 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@@H]1[C@H](C)CCC[C@@H]1[NH3+] ZINC000055139770 521655479 /nfs/dbraw/zinc/65/54/79/521655479.db2.gz XLNKKGOLCLUGSX-HZSPNIEDSA-N 2 0 269.433 1.550 10 0 CDAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)C(C)(C)n2cncn2)C1 ZINC000353429635 521711538 /nfs/dbraw/zinc/71/15/38/521711538.db2.gz URMAMKUKEMJLSX-OLZOCXBDSA-N 2 0 265.405 1.333 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000061644930 521863304 /nfs/dbraw/zinc/86/33/04/521863304.db2.gz FLAXLICTZPSQSO-GDBMZVCRSA-N 2 0 287.407 1.426 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000061644928 521864535 /nfs/dbraw/zinc/86/45/35/521864535.db2.gz FLAXLICTZPSQSO-ZBFHGGJFSA-N 2 0 287.407 1.426 10 0 CDAERP CN(C)C[C@H]1CCC[N@@H+]1CCCOc1cccc(C[NH3+])c1 ZINC000061642512 521867937 /nfs/dbraw/zinc/86/79/37/521867937.db2.gz CDXRGRRJAJCWSB-MRXNPFEDSA-N 2 0 291.439 1.940 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1[C@@H](C[NH3+])c1ccsc1 ZINC000061641961 521873938 /nfs/dbraw/zinc/87/39/38/521873938.db2.gz OLWBQMPJHJEPRG-OLZOCXBDSA-N 2 0 253.415 1.774 10 0 CDAERP C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C1CC[NH+](C)CC1 ZINC000054601975 521954404 /nfs/dbraw/zinc/95/44/04/521954404.db2.gz PXZOIXTYLVCJFE-LQDVMPOASA-N 2 0 251.418 1.686 10 0 CDAERP C[NH2+]C[C@H](c1ccccc1)N1CC[NH+](C2CC2)CC1 ZINC000052371425 522077792 /nfs/dbraw/zinc/07/77/92/522077792.db2.gz JKBSCXWZBKICEY-MRXNPFEDSA-N 2 0 259.397 1.727 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(CC[NH2+]CCCOC)CC1 ZINC000055075363 522121976 /nfs/dbraw/zinc/12/19/76/522121976.db2.gz HABRMUOYHWWJPO-CQSZACIVSA-N 2 0 257.422 1.029 10 0 CDAERP CC[C@@H](C)[NH+]1CCN([C@@H](c2ccccn2)[C@@H](C)[NH3+])CC1 ZINC000055063863 522129845 /nfs/dbraw/zinc/12/98/45/522129845.db2.gz JZIBJICXQGCRDL-IIAWOOMASA-N 2 0 276.428 1.886 10 0 CDAERP C[NH2+]Cc1occc1CN(C)C1CC[NH+](C)CC1 ZINC000052419838 522160221 /nfs/dbraw/zinc/16/02/21/522160221.db2.gz VDIMBBLGAYFERQ-UHFFFAOYSA-N 2 0 251.374 1.525 10 0 CDAERP CN(C)c1cc[nH+]cc1NC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000061611657 522311150 /nfs/dbraw/zinc/31/11/50/522311150.db2.gz MUSRNFNFOPPHFV-CYBMUJFWSA-N 2 0 284.363 1.829 10 0 CDAERP C[NH2+][C@@H]1CCCCC[C@@H]1CN1CCN(CC[NH+](C)C)CC1 ZINC000061653804 522377153 /nfs/dbraw/zinc/37/71/53/522377153.db2.gz FOTMHYBAAFTVFT-IAGOWNOFSA-N 2 0 296.503 1.334 10 0 CDAERP C[NH2+][C@H](C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000054076118 522438002 /nfs/dbraw/zinc/43/80/02/522438002.db2.gz NBNCCFRFPDAFHX-UKRRQHHQSA-N 2 0 275.396 1.548 10 0 CDAERP C[N@H+](CCN1CCC[NH2+]CC1)C1CCCCCC1 ZINC000061275043 522832998 /nfs/dbraw/zinc/83/29/98/522832998.db2.gz UMRBIIMCKFIZIY-UHFFFAOYSA-N 2 0 253.434 1.936 10 0 CDAERP C[NH+]1CCC(NC(=O)[C@H]2CCC[C@H](CC[NH3+])C2)CC1 ZINC000055146964 523775424 /nfs/dbraw/zinc/77/54/24/523775424.db2.gz REKRILJEDMRMFB-OLZOCXBDSA-N 2 0 267.417 1.352 10 0 CDAERP COCC[N@H+](Cc1occc1C[NH3+])[C@@H](C)C1CC1 ZINC000052545355 523778490 /nfs/dbraw/zinc/77/84/90/523778490.db2.gz WJKHXNMXFYWPMU-NSHDSACASA-N 2 0 252.358 1.985 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000055136290 523817018 /nfs/dbraw/zinc/81/70/18/523817018.db2.gz PHSUULZDMITIOR-XQQFMLRXSA-N 2 0 253.390 1.104 10 0 CDAERP COCC[NH2+]CCCc1cnn(-c2cc[nH+]cc2)c1 ZINC000054680378 523937883 /nfs/dbraw/zinc/93/78/83/523937883.db2.gz HAHXJBLDIBSPDC-UHFFFAOYSA-N 2 0 260.341 1.436 10 0 CDAERP COCC[NH2+]Cc1cc(C)c(OCC[NH+](C)C)c(C)c1 ZINC000062728632 523948196 /nfs/dbraw/zinc/94/81/96/523948196.db2.gz JXZPFUKGIMQIHD-UHFFFAOYSA-N 2 0 280.412 1.980 10 0 CDAERP CC[C@H](C)[NH+]1CCN(CC[NH2+]C2CCCC2)CC1 ZINC000055075152 523952320 /nfs/dbraw/zinc/95/23/20/523952320.db2.gz FKVSANYRZQZUBE-AWEZNQCLSA-N 2 0 253.434 1.935 10 0 CDAERP C[NH+](C)C(C)(C)CNC(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050949938 524032233 /nfs/dbraw/zinc/03/22/33/524032233.db2.gz YXTWJKBIANPKTP-LBPRGKRZSA-N 2 0 255.406 1.365 10 0 CDAERP C[NH+](C)C1CCN(C(=O)CC[C@H]2CCCC[NH2+]2)CC1 ZINC000050942882 524038994 /nfs/dbraw/zinc/03/89/94/524038994.db2.gz SCNJFBTVVVMSEE-CYBMUJFWSA-N 2 0 267.417 1.461 10 0 CDAERP C[NH+](C)C1CCN(C[C@@H]2CC[C@@H](C[NH2+]C(C)(C)C)O2)CC1 ZINC000052477810 524040419 /nfs/dbraw/zinc/04/04/19/524040419.db2.gz CLWYEYSACUUIQK-HOTGVXAUSA-N 2 0 297.487 1.948 10 0 CDAERP C[NH+](C)C1CCN(C[C@H]2CC[C@@H](C[NH2+]C(C)(C)C)O2)CC1 ZINC000052477806 524040500 /nfs/dbraw/zinc/04/05/00/524040500.db2.gz CLWYEYSACUUIQK-JKSUJKDBSA-N 2 0 297.487 1.948 10 0 CDAERP C[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000055161524 524048994 /nfs/dbraw/zinc/04/89/94/524048994.db2.gz TXSQXIIGWHCWPV-GOEBONIOSA-N 2 0 295.471 1.942 10 0 CDAERP C[C@H]1CCC[C@@H](C(=O)NCC[NH+]2CCCCCC2)[C@@H]1[NH3+] ZINC000055136242 524127527 /nfs/dbraw/zinc/12/75/27/524127527.db2.gz OZCGLEYIDGRBLN-RRFJBIMHSA-N 2 0 281.444 1.742 10 0 CDAERP C[C@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)NCC(C)(C)C[NH+](C)C ZINC000055125311 524144244 /nfs/dbraw/zinc/14/42/44/524144244.db2.gz RPVXPOSZJICGSA-YNEHKIRRSA-N 2 0 269.433 1.454 10 0 CDAERP C[C@@H]1CCC[C@@H](C(=O)NCC2CC[NH+](C)CC2)[C@@H]1[NH3+] ZINC000055140194 524266558 /nfs/dbraw/zinc/26/65/58/524266558.db2.gz KAENHXRXSJLPSY-MRVWCRGKSA-N 2 0 267.417 1.208 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000055090906 524604683 /nfs/dbraw/zinc/60/46/83/524604683.db2.gz BJTJPXALMJKUHU-IHRRRGAJSA-N 2 0 267.417 1.495 10 0 CDAERP C[C@@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)NCC[NH+]1CCCCCC1 ZINC000055136244 524686049 /nfs/dbraw/zinc/68/60/49/524686049.db2.gz DHTNEWGERBIIKE-ILXRZTDVSA-N 2 0 281.444 1.742 10 0 CDAERP C[C@@H](C[NH2+]C[C@@H]1CCCO1)N1CC[NH+](C2CCCC2)CC1 ZINC000053493983 524739011 /nfs/dbraw/zinc/73/90/11/524739011.db2.gz KRNVTRVXAJBRDC-RDJZCZTQSA-N 2 0 295.471 1.704 10 0 CDAERP Cc1cc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)c(C)n1C ZINC000052789772 524752801 /nfs/dbraw/zinc/75/28/01/524752801.db2.gz RUDQNHWDPFLMMC-UHFFFAOYSA-N 2 0 292.471 1.758 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC(C[NH+](C)C)CC2)CC[C@@H]1[NH3+] ZINC000055134900 524764474 /nfs/dbraw/zinc/76/44/74/524764474.db2.gz KYOAKANWXWWWQW-QEJZJMRPSA-N 2 0 281.444 1.550 10 0 CDAERP C[C@@H](Cc1ccco1)[NH2+]CCN1CCC[NH2+]CC1 ZINC000061275405 524928294 /nfs/dbraw/zinc/92/82/94/524928294.db2.gz OTXNSXHHQFKCJJ-ZDUSSCGKSA-N 2 0 251.374 1.096 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000061656192 525088209 /nfs/dbraw/zinc/08/82/09/525088209.db2.gz JZVAQDONXBSQNZ-MQYQWHSLSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@H]1c2ccsc2CC[N@H+]1CCN1CCC[NH2+]CC1 ZINC000061275567 525131803 /nfs/dbraw/zinc/13/18/03/525131803.db2.gz BUTRZDAKNXAJBR-ZDUSSCGKSA-N 2 0 279.453 1.963 10 0 CDAERP C[C@]1(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC[NH2+]C1 ZINC000062899352 525208967 /nfs/dbraw/zinc/20/89/67/525208967.db2.gz KMXOSUHVUOOJLD-CJNGLKHVSA-N 2 0 291.395 1.532 10 0 CDAERP C[C@@H]1C[C@@H]([NH3+])CC[C@@H]1C(=O)NCC(C)(C)C[NH+](C)C ZINC000055125323 525246567 /nfs/dbraw/zinc/24/65/67/525246567.db2.gz VWAKZQYSTJDQJO-AGIUHOORSA-N 2 0 269.433 1.454 10 0 CDAERP C[C@@H]1C[C@H]([N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)CC(C)(C)C1 ZINC000063178373 525418831 /nfs/dbraw/zinc/41/88/31/525418831.db2.gz QODYGZOXUHRBBM-ILXRZTDVSA-N 2 0 295.471 1.988 10 0 CDAERP C[C@@H]1c2ccsc2CC[N@H+]1CC1(O)CC[NH2+]CC1 ZINC000051016286 525735492 /nfs/dbraw/zinc/73/54/92/525735492.db2.gz CSHXAMGFJNTPEY-LLVKDONJSA-N 2 0 266.410 1.782 10 0 CDAERP C[C@H]([C@@H]([NH3+])c1ccccc1)N1CCN(CC[NH+](C)C)CC1 ZINC000061643903 526021712 /nfs/dbraw/zinc/02/17/12/526021712.db2.gz BLGBVDSFYSJVQV-NVXWUHKLSA-N 2 0 290.455 1.254 10 0 CDAERP Cc1ccc(C(=O)N2CC[NH+](CCCC[NH3+])CC2)c(C)n1 ZINC000055329945 526111183 /nfs/dbraw/zinc/11/11/83/526111183.db2.gz KUSBHWFMWHTSGN-UHFFFAOYSA-N 2 0 290.411 1.195 10 0 CDAERP Cc1nocc1C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000339386771 526690897 /nfs/dbraw/zinc/69/08/97/526690897.db2.gz CAGNJVOBPUFJPS-UHFFFAOYSA-N 2 0 266.389 1.099 10 0 CDAERP [NH3+]CCCCCCC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062942882 527172787 /nfs/dbraw/zinc/17/27/87/527172787.db2.gz ARIIJVLXMMXSGL-CQSZACIVSA-N 2 0 267.417 1.592 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CNC(=O)NCC[C@H]2CCC[NH2+]C2)C1 ZINC000417244979 534941761 /nfs/dbraw/zinc/94/17/61/534941761.db2.gz XTUKXUMGFCUEEW-CABCVRRESA-N 2 0 296.459 1.407 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000424466039 535449635 /nfs/dbraw/zinc/44/96/35/535449635.db2.gz SONPMCVVXKNTEX-HUUCEWRRSA-N 2 0 296.459 1.678 10 0 CDAERP CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420295791 535470039 /nfs/dbraw/zinc/47/00/39/535470039.db2.gz ASYNLPBGFQPLQL-ZIAGYGMSSA-N 2 0 267.417 1.319 10 0 CDAERP CC[C@H]([NH2+][C@@H](CCC[NH3+])COC)c1c(C)nn(C)c1C ZINC000422799747 535930985 /nfs/dbraw/zinc/93/09/85/535930985.db2.gz YGKLYWZLBSZCMT-KBPBESRZSA-N 2 0 282.432 1.832 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCNC(=O)c1ccc(C)cc1 ZINC000234718356 536595434 /nfs/dbraw/zinc/59/54/34/536595434.db2.gz UQGVBOGCEWZIRG-OAHLLOKOSA-N 2 0 293.411 1.068 10 0 CDAERP COCC[N@H+](C)CCCC1CC[NH+](C[C@H](C)CO)CC1 ZINC000122157512 538324599 /nfs/dbraw/zinc/32/45/99/538324599.db2.gz IIEQSGYZRVSWSA-HNNXBMFYSA-N 2 0 286.460 1.685 10 0 CDAERP [NH3+][C@@H](CNc1ccnn1C1C[NH2+]C1)c1cccs1 ZINC000725258700 538453005 /nfs/dbraw/zinc/45/30/05/538453005.db2.gz XOAPPKFBEDRRKL-JTQLQIEISA-N 2 0 263.370 1.201 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C=C2CC[NH2+]CC2)C1 ZINC000852903409 679829989 /nfs/dbraw/zinc/82/99/89/679829989.db2.gz YXSSWIAWHMBJOM-ZDUSSCGKSA-N 2 0 265.401 1.285 10 0 CDAERP C[NH+](C)CC(C)(C)CNC(=S)N[C@@H]1CCC[N@H+](C)C1 ZINC000727078561 574548643 /nfs/dbraw/zinc/54/86/43/574548643.db2.gz OKOGBSLPHSATDK-GFCCVEGCSA-N 2 0 286.489 1.133 10 0 CDAERP c1cn(-c2cc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)ccn2)cn1 ZINC000754796235 576915808 /nfs/dbraw/zinc/91/58/08/576915808.db2.gz UCXKUJXXIDSBSB-CVEARBPZSA-N 2 0 297.406 1.984 10 0 CDAERP CC(C)=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001688995426 1175081767 /nfs/dbraw/zinc/08/17/67/1175081767.db2.gz TYGXXLKTKYYBAH-ARFHVFGLSA-N 2 0 293.455 1.921 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001689875960 1175291788 /nfs/dbraw/zinc/29/17/88/1175291788.db2.gz JWAQDQYFBWLCCT-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP CC/C=C\CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001690162796 1175391412 /nfs/dbraw/zinc/39/14/12/1175391412.db2.gz PBGFKRBSZOZTQL-XETQRACLSA-N 2 0 293.455 1.921 10 0 CDAERP CC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001690246489 1175410311 /nfs/dbraw/zinc/41/03/11/1175410311.db2.gz JNVMXHXMEKDJPS-JSMHICHCSA-N 2 0 281.444 1.873 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925510149 617405638 /nfs/dbraw/zinc/40/56/38/617405638.db2.gz SRGXRBASDAEXEU-MGPQQGTHSA-N 2 0 253.434 1.966 10 0 CDAERP Cn1cc([C@H](O)C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)cn1 ZINC000925515880 617424651 /nfs/dbraw/zinc/42/46/51/617424651.db2.gz JOCMYNZBTIJUQK-HRCADAONSA-N 2 0 292.427 1.211 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC(C)(C)[C@@]1(O)CCCOC1 ZINC000926722452 617470307 /nfs/dbraw/zinc/47/03/07/617470307.db2.gz SCBSREKDWFDYLF-KJFZJZGVSA-N 2 0 296.455 1.484 10 0 CDAERP Cc1cccc([C@H](O)C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925606808 617549880 /nfs/dbraw/zinc/54/98/80/617549880.db2.gz LLVPXURCJPSUOM-RBSFLKMASA-N 2 0 260.381 1.888 10 0 CDAERP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925614387 617559802 /nfs/dbraw/zinc/55/98/02/617559802.db2.gz INAJJUFPONORIU-ZMJPVWNMSA-N 2 0 264.369 1.951 10 0 CDAERP Cc1ccccc1C[C@H](CO)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925643740 617586573 /nfs/dbraw/zinc/58/65/73/617586573.db2.gz HAWOLRYKYWWANF-OWCLPIDISA-N 2 0 274.408 1.758 10 0 CDAERP CC1(C)CC[C@H]([NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1 ZINC000925858142 617896718 /nfs/dbraw/zinc/89/67/18/617896718.db2.gz SFHNSSOQPWPHEI-QWHCGFSZSA-N 2 0 280.412 1.840 10 0 CDAERP C[C@@H]1C[C@H](C)CC[N@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000932126953 617933290 /nfs/dbraw/zinc/93/32/90/617933290.db2.gz OXNRPINUONSZGX-ZIAGYGMSSA-N 2 0 281.444 1.565 10 0 CDAERP CCS(=O)(=O)CCC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925690728 617694387 /nfs/dbraw/zinc/69/43/87/617694387.db2.gz MWCOBIRTXIUTPQ-AGIUHOORSA-N 2 0 288.457 1.177 10 0 CDAERP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC000925825524 617807883 /nfs/dbraw/zinc/80/78/83/617807883.db2.gz GAVDNRPPFSNDGA-OLZOCXBDSA-N 2 0 268.401 1.025 10 0 CDAERP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3C[C@H]4CCC[C@@H]4O3)C[C@@H]2C1 ZINC000931443226 617842580 /nfs/dbraw/zinc/84/25/80/617842580.db2.gz ULBFQUQHRPNKMA-OWYFMNJBSA-N 2 0 264.413 1.828 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CCCN1CC(F)(F)F ZINC000925835144 617864382 /nfs/dbraw/zinc/86/43/82/617864382.db2.gz MVQCAIMBVLIHHO-NEPJUHHUSA-N 2 0 297.365 1.357 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cccc(-n2cnnn2)c1 ZINC000925877966 617955870 /nfs/dbraw/zinc/95/58/70/617955870.db2.gz ZXNNTFQYPMKJJR-SCRDCRAPSA-N 2 0 286.383 1.440 10 0 CDAERP Cn1cc(CC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)c2cccnc21 ZINC000925728773 617990448 /nfs/dbraw/zinc/99/04/48/617990448.db2.gz VNZXPTQVDBEDCV-LSDHHAIUSA-N 2 0 284.407 1.975 10 0 CDAERP C[C@H](C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)CN1CCOCC1 ZINC000925507585 618192938 /nfs/dbraw/zinc/19/29/38/618192938.db2.gz AQGJETLPRLBYAZ-ILXRZTDVSA-N 2 0 283.460 1.450 10 0 CDAERP CC(C)OCC[C@@H](O)C[N@@H+]1CC[NH2+]CCC1(C)C ZINC000923416512 618327746 /nfs/dbraw/zinc/32/77/46/618327746.db2.gz YCDQATXLDZLPPS-CYBMUJFWSA-N 2 0 258.406 1.236 10 0 CDAERP CCCC[N@H+](C)CC1CC[NH+](CCC(=O)N(C)OC)CC1 ZINC000788012284 618725294 /nfs/dbraw/zinc/72/52/94/618725294.db2.gz SOYXCMFZCQFENV-UHFFFAOYSA-N 2 0 299.459 1.840 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](C)[C@H]2C)C1 ZINC000928429913 618994843 /nfs/dbraw/zinc/99/48/43/618994843.db2.gz YPISDIXISSFVPE-IHRRRGAJSA-N 2 0 267.417 1.317 10 0 CDAERP CC[C@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C(=O)OC ZINC000895140487 619345083 /nfs/dbraw/zinc/34/50/83/619345083.db2.gz RPJSSDJIFIUBKS-NEPJUHHUSA-N 2 0 256.390 1.648 10 0 CDAERP C[N@H+](CCCCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC000909555548 620288748 /nfs/dbraw/zinc/28/87/48/620288748.db2.gz RZQXYRPGHFWQLU-UHFFFAOYSA-N 2 0 265.401 1.073 10 0 CDAERP CC(C)[C@H]1COCC[C@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000924634401 621615683 /nfs/dbraw/zinc/61/56/83/621615683.db2.gz WBBICERBPWGSMQ-IAGOWNOFSA-N 2 0 297.487 1.663 10 0 CDAERP C[C@@H](NC(=[NH2+])NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000899263827 622135864 /nfs/dbraw/zinc/13/58/64/622135864.db2.gz QFOAOMWNCLDAPA-FRRDWIJNSA-N 2 0 282.432 1.398 10 0 CDAERP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900304733 622874985 /nfs/dbraw/zinc/87/49/85/622874985.db2.gz FPCKNDHSVWIIKZ-LZWOXQAQSA-N 2 0 299.459 1.068 10 0 CDAERP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C12CC[NH+](CC1)C2 ZINC000900711859 623393067 /nfs/dbraw/zinc/39/30/67/623393067.db2.gz QKVMJMDIJXYOIK-UHFFFAOYSA-N 2 0 283.335 1.302 10 0 CDAERP C[C@@H]1[C@@H](NC2CC[NH+](CC3CC3)CC2)CC[N@@H+]1C ZINC000903302215 625960936 /nfs/dbraw/zinc/96/09/36/625960936.db2.gz ZZTRGCRAYCRDRF-DOMZBBRYSA-N 2 0 251.418 1.543 10 0 CDAERP CO[C@]1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CCSC1 ZINC000903315106 625970201 /nfs/dbraw/zinc/97/02/01/625970201.db2.gz SKJAAIAUECLYPK-YJNKXOJESA-N 2 0 284.469 1.971 10 0 CDAERP NC(=O)[C@@H]1c2ccccc2CC[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC000903433313 625990820 /nfs/dbraw/zinc/99/08/20/625990820.db2.gz ZNBRNZBYUJYCPN-LNSITVRQSA-N 2 0 273.380 1.199 10 0 CDAERP C[C@H](c1ccccc1)[N@@H+](CC(N)=O)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903439707 625992541 /nfs/dbraw/zinc/99/25/41/625992541.db2.gz MDDLNNDNTSJAOD-NFAWXSAZSA-N 2 0 275.396 1.662 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903445186 625998649 /nfs/dbraw/zinc/99/86/49/625998649.db2.gz HQJCZHWIOINCHL-ILXRZTDVSA-N 3 0 253.434 1.778 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)C1 ZINC000903445243 625998766 /nfs/dbraw/zinc/99/87/66/625998766.db2.gz HSZPLJUHLQJISP-BYNSBNAKSA-N 3 0 251.418 1.578 10 0 CDAERP Cc1nnc([C@H]2CCC[N@@H+](C[C@@H]3C[NH2+]C[C@H]3C)C2)[nH]1 ZINC000903445568 625999040 /nfs/dbraw/zinc/99/90/40/625999040.db2.gz LYPAPKOCMOQVAI-WXHSDQCUSA-N 2 0 263.389 1.148 10 0 CDAERP CCC[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCN1CCOC ZINC000903457116 626002783 /nfs/dbraw/zinc/00/27/83/626002783.db2.gz OASGTVVXYMMHAF-OWCLPIDISA-N 2 0 283.460 1.547 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCn3cnc(C(F)(F)F)c3C2)C1 ZINC000903482314 626006211 /nfs/dbraw/zinc/00/62/11/626006211.db2.gz BIWAYTRDFGKEML-VHSXEESVSA-N 2 0 288.317 1.845 10 0 CDAERP COc1ccc([C@@H](C[NH3+])C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1 ZINC000903500332 626009086 /nfs/dbraw/zinc/00/90/86/626009086.db2.gz WWWPEYQJAVHUDP-BMFZPTHFSA-N 3 0 291.439 1.654 10 0 CDAERP CCOc1ccc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)nc1 ZINC000903500340 626009178 /nfs/dbraw/zinc/00/91/78/626009178.db2.gz XNUMOMZKWMQSTA-CHWSQXEVSA-N 2 0 263.385 1.897 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C[C@@H](C)CC(C)C)C2 ZINC000903493574 626011067 /nfs/dbraw/zinc/01/10/67/626011067.db2.gz VTHGJUHGHBCZHB-AYDFFVQHSA-N 2 0 282.428 1.881 10 0 CDAERP COCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903508415 626012609 /nfs/dbraw/zinc/01/26/09/626012609.db2.gz GBBUUEURDUTBCH-BMFZPTHFSA-N 2 0 281.444 1.312 10 0 CDAERP [NH3+][C@@H]1CC[C@H](CN2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)C1 ZINC000903540700 626016203 /nfs/dbraw/zinc/01/62/03/626016203.db2.gz FXAGQAYINGNDCB-ZDCRXTMVSA-N 2 0 265.323 1.325 10 0 CDAERP [NH3+][C@@H]1CC[C@H](CN2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000903540697 626016283 /nfs/dbraw/zinc/01/62/83/626016283.db2.gz FXAGQAYINGNDCB-LNFKQOIKSA-N 2 0 265.323 1.325 10 0 CDAERP CC(C)[NH+]1CCN(CCCN2C[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000903556977 626024760 /nfs/dbraw/zinc/02/47/60/626024760.db2.gz IYPGUHCDXAHXBS-HNNXBMFYSA-N 2 0 282.476 1.072 10 0 CDAERP C[NH2+]CCN(Cc1ccc2c(c1)C[NH2+]CC2)C(C)C ZINC000903573641 626029272 /nfs/dbraw/zinc/02/92/72/626029272.db2.gz HCRVBHXVIXLFRR-UHFFFAOYSA-N 2 0 261.413 1.762 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@H+]2C[C@H](C)C[C@H](C)C2)cnn1C ZINC000903872076 626126825 /nfs/dbraw/zinc/12/68/25/626126825.db2.gz CNUYQZLHGUBPQC-VNHYZAJKSA-N 2 0 278.444 1.824 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[NH+]2CCC(C)CC2)cnn1C ZINC000903872574 626127080 /nfs/dbraw/zinc/12/70/80/626127080.db2.gz HPOVPACOEHYJHH-AWEZNQCLSA-N 2 0 264.417 1.578 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)cnn1C ZINC000903897708 626137054 /nfs/dbraw/zinc/13/70/54/626137054.db2.gz IUFIEUPVLXFFTH-AEGPPILISA-N 2 0 276.428 1.434 10 0 CDAERP CSCC[C@@H](C)[N@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903897437 626137141 /nfs/dbraw/zinc/13/71/41/626137141.db2.gz ZARMGUGAHOILEG-CHWSQXEVSA-N 2 0 297.472 1.776 10 0 CDAERP CC[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)CC1CCC1 ZINC000903908915 626142751 /nfs/dbraw/zinc/14/27/51/626142751.db2.gz PVKFXRJQDNVPBA-AWEZNQCLSA-N 2 0 277.416 1.825 10 0 CDAERP CC(C)OCCC[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903926009 626148506 /nfs/dbraw/zinc/14/85/06/626148506.db2.gz QYAMMEUZPUVIRK-ZDUSSCGKSA-N 2 0 281.404 1.107 10 0 CDAERP COCC1([NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)CCCC1 ZINC000903933626 626152815 /nfs/dbraw/zinc/15/28/15/626152815.db2.gz UBYLARPBEUZWJM-ZDUSSCGKSA-N 2 0 293.415 1.251 10 0 CDAERP COC[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCCOC1 ZINC000903959677 626159501 /nfs/dbraw/zinc/15/95/01/626159501.db2.gz MGWWIISSRGZWJD-RQJABVFESA-N 2 0 256.390 1.288 10 0 CDAERP COC[C@H]([NH2+]C[C@@H]([NH3+])CC(C)C)[C@H]1CCCOC1 ZINC000903959957 626159838 /nfs/dbraw/zinc/15/98/38/626159838.db2.gz SVTJZNIZQJVYHY-IHRRRGAJSA-N 2 0 258.406 1.391 10 0 CDAERP C[C@@H](C[C@H]1CCC[NH2+]1)N1CCc2sc(C[NH3+])nc2C1 ZINC000903945318 626162605 /nfs/dbraw/zinc/16/26/05/626162605.db2.gz ROLRXFVUJMPNLB-WDEREUQCSA-N 2 0 280.441 1.491 10 0 CDAERP CCC1([NH3+])CC[NH+](C2CCC(C(=O)OC)CC2)CC1 ZINC000903946434 626163449 /nfs/dbraw/zinc/16/34/49/626163449.db2.gz RDBAULWMQPALGB-UHFFFAOYSA-N 2 0 268.401 1.922 10 0 CDAERP C[C@@]1(CN2CCC([NH2+]C3CCOCC3)CC2)CC[NH2+]C1 ZINC000903947622 626164055 /nfs/dbraw/zinc/16/40/55/626164055.db2.gz CNTWKGHZNCXLLZ-MRXNPFEDSA-N 2 0 281.444 1.219 10 0 CDAERP CCCC[C@H](COC)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903971775 626168214 /nfs/dbraw/zinc/16/82/14/626168214.db2.gz DVIQTMYWTVTIOL-CABCVRRESA-N 2 0 284.444 1.940 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000903978268 626169858 /nfs/dbraw/zinc/16/98/58/626169858.db2.gz CRZYJRWSTGPVJM-ARILJUKYSA-N 3 0 251.418 1.210 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1[NH2+]C1CCC2(CCOCC2)CC1 ZINC000903964718 626171514 /nfs/dbraw/zinc/17/15/14/626171514.db2.gz ULHKSMCQLOTYTL-TZMCWYRMSA-N 2 0 252.402 1.923 10 0 CDAERP CC(C)(C)[NH2+]CCNC(=[NH2+])NC[C@H]1CCCS1 ZINC000905041413 626380415 /nfs/dbraw/zinc/38/04/15/626380415.db2.gz GBXMDTZSAXPADC-SNVBAGLBSA-N 2 0 258.435 1.384 10 0 CDAERP C[NH+](C)C1(CNC(=[NH2+])NC[C@H]2CCCS2)CCC1 ZINC000905049959 626386115 /nfs/dbraw/zinc/38/61/15/626386115.db2.gz UASINPHOWIZMQH-LLVKDONJSA-N 2 0 270.446 1.480 10 0 CDAERP C(c1noc([C@@H]2C[C@@]23CCC[NH2+]C3)n1)C1CC[NH2+]CC1 ZINC000905309499 626758717 /nfs/dbraw/zinc/75/87/17/626758717.db2.gz WYOCBJKJPLSZKA-SWLSCSKDSA-N 2 0 276.384 1.469 10 0 CDAERP C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)Cc1cncn1C ZINC000912651398 630127207 /nfs/dbraw/zinc/12/72/07/630127207.db2.gz VORZMCROJFXVFO-KGLIPLIRSA-N 2 0 292.427 1.684 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912902021 630293675 /nfs/dbraw/zinc/29/36/75/630293675.db2.gz IKAPGPIBJYVLPL-STQMWFEESA-N 2 0 265.401 1.166 10 0 CDAERP CC[NH+](CC)CC(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000913282534 630433032 /nfs/dbraw/zinc/43/30/32/630433032.db2.gz HXRBJRSIHCAECD-HUUCEWRRSA-N 2 0 267.417 1.128 10 0 CDAERP C[NH+]1C[C@]2(C)CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@@]2(C)C1 ZINC000913287872 630436057 /nfs/dbraw/zinc/43/60/57/630436057.db2.gz JXADDPYKPITLIC-FVQBIDKESA-N 2 0 279.428 1.271 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000913288211 630436729 /nfs/dbraw/zinc/43/67/29/630436729.db2.gz BQXLIYOISXAACD-GJZGRUSLSA-N 2 0 267.417 1.127 10 0 CDAERP CC[C@@H](C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C)[NH+](C)C ZINC000913814249 630800512 /nfs/dbraw/zinc/80/05/12/630800512.db2.gz RJUZSOARNPIAGE-YNEHKIRRSA-N 2 0 253.390 1.022 10 0 CDAERP C[C@@H]1[C@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)CC[N@@H+]1C ZINC000914275066 631305963 /nfs/dbraw/zinc/30/59/63/631305963.db2.gz GPKUZSOHFYQEQZ-TZMCWYRMSA-N 2 0 296.459 1.641 10 0 CDAERP C[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C)[NH+]1CCCCC1 ZINC000914294307 631323922 /nfs/dbraw/zinc/32/39/22/631323922.db2.gz XQFYJRUKODTZQL-MCIONIFRSA-N 2 0 282.432 1.253 10 0 CDAERP C[N@H+](CCNC(=O)NC[C@H]1CC[NH+]1C)C1CCCCC1 ZINC000915648991 631783932 /nfs/dbraw/zinc/78/39/32/631783932.db2.gz RWXCHHDIQRJICC-CQSZACIVSA-N 2 0 282.432 1.254 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N[C@@H]1CC[NH+](C)[C@H]1C ZINC000921181492 632891854 /nfs/dbraw/zinc/89/18/54/632891854.db2.gz QNUVUSCAYBAAQY-QWHCGFSZSA-N 2 0 270.421 1.110 10 0 CDAERP C[C@@H]1[C@H](NC(=O)NCC[NH+]2CCCC(C)(C)C2)CC[N@@H+]1C ZINC000925335462 632989720 /nfs/dbraw/zinc/98/97/20/632989720.db2.gz VSRPEATWXHOMCX-ZIAGYGMSSA-N 2 0 296.459 1.500 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000870989769 682445617 /nfs/dbraw/zinc/44/56/17/682445617.db2.gz ORZUOLVBGSXNMW-IUODEOHRSA-N 2 0 267.417 1.210 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000713054146 682851396 /nfs/dbraw/zinc/85/13/96/682851396.db2.gz XZNDTVIZLPXFQH-IHRRRGAJSA-N 2 0 281.444 1.739 10 0 CDAERP COC(=O)C1=CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000858473851 683243591 /nfs/dbraw/zinc/24/35/91/683243591.db2.gz SYKQTBZGFINPDB-MELADBBJSA-N 2 0 264.369 1.465 10 0 CDAERP CC(C)[C@@H](CNC1=[NH+]CCCCN1)[NH+]1CCCC1 ZINC000849214936 683375408 /nfs/dbraw/zinc/37/54/08/683375408.db2.gz DFYPWUIUEVZPOR-CYBMUJFWSA-N 2 0 252.406 1.436 10 0 CDAERP CC(C)[C@H](C[NH2+][C@H]1COCC1(C)C)N1CC[NH+](C)CC1 ZINC000313074688 683610344 /nfs/dbraw/zinc/61/03/44/683610344.db2.gz IFZMLMSRQZXCMN-GJZGRUSLSA-N 2 0 283.460 1.273 10 0 CDAERP CC[C@H]([NH2+][C@H](C)C[C@@H]1COCCN1)[C@H]1CCCOC1 ZINC000724015304 683591491 /nfs/dbraw/zinc/59/14/91/683591491.db2.gz SSTFVKNUGVRTGI-BARDWOONSA-N 2 0 270.417 1.548 10 0 CDAERP C[C@@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)(C)C[NH+](C)C ZINC000921388272 679699051 /nfs/dbraw/zinc/69/90/51/679699051.db2.gz DVXGSIQJQDWVMW-JHJVBQTASA-N 2 0 284.448 1.355 10 0 CDAERP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)CC1 ZINC000926949299 679710572 /nfs/dbraw/zinc/71/05/72/679710572.db2.gz XQWJVHYHIIHUNR-SNPRPXQTSA-N 2 0 282.428 1.643 10 0 CDAERP C[N@@H+](CCc1cccc(F)c1)CCN1CC[NH2+]CC1 ZINC000259004440 679715859 /nfs/dbraw/zinc/71/58/59/679715859.db2.gz ZKYUMXVVDSPUJO-UHFFFAOYSA-N 2 0 265.376 1.205 10 0 CDAERP CN(C)C(=O)[C@H]1CCC[C@@H]([NH2+]C2[C@@H]3CC[C@H]2C[N@@H+](C)C3)C1 ZINC000925069579 679720630 /nfs/dbraw/zinc/72/06/30/679720630.db2.gz IKJCFDNFMLSEJJ-FIZKIRAISA-N 2 0 293.455 1.563 10 0 CDAERP CC(C)COC[C@@H](O)CN1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923531835 679721503 /nfs/dbraw/zinc/72/15/03/679721503.db2.gz WCWGHJXBQSGACQ-LSDHHAIUSA-N 2 0 270.417 1.238 10 0 CDAERP Cc1nn(C)c(Cl)c1CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000310870217 679746673 /nfs/dbraw/zinc/74/66/73/679746673.db2.gz TZSRGJYPLWEHIZ-MVWJERBFSA-N 2 0 268.792 1.551 10 0 CDAERP C[NH2+]CCN(C)C(=O)C[C@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000841849530 679751764 /nfs/dbraw/zinc/75/17/64/679751764.db2.gz ZJYCZFZDJRHJFW-NSHDSACASA-N 2 0 284.791 1.111 10 0 CDAERP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](C[C@H]2CC3CCC2CC3)C1 ZINC000923280879 679757096 /nfs/dbraw/zinc/75/70/96/679757096.db2.gz JQDKAPOTMVWJMB-SSHXOBKSSA-N 2 0 293.455 1.600 10 0 CDAERP C[C@@H]([NH2+]Cc1nc(C#N)cs1)C1CC[NH+](C)CC1 ZINC000396448995 679759410 /nfs/dbraw/zinc/75/94/10/679759410.db2.gz FHXKUKMOGZHLMS-SNVBAGLBSA-N 2 0 264.398 1.835 10 0 CDAERP Cc1ncsc1CC[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923501962 679760380 /nfs/dbraw/zinc/76/03/80/679760380.db2.gz UFFKZWIZXDKVHG-ZYHUDNBSSA-N 2 0 253.415 1.911 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(-n2cncn2)cc1 ZINC000925788901 679760787 /nfs/dbraw/zinc/76/07/87/679760787.db2.gz DDTCHCDWCZWMFZ-IPYPFGDCSA-N 2 0 285.395 1.773 10 0 CDAERP CC[C@@H](C[C@@](C)(O)CC)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000926356369 679766188 /nfs/dbraw/zinc/76/61/88/679766188.db2.gz HPLUFKAWDBHQHY-RDJZCZTQSA-N 2 0 299.503 1.932 10 0 CDAERP COCCOC[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925569869 679766496 /nfs/dbraw/zinc/76/64/96/679766496.db2.gz APFLRKOJUDDCRU-YNEHKIRRSA-N 2 0 258.406 1.534 10 0 CDAERP C[C@H]1C[N@H+](CC(=O)NCCC2CCCCC2)CC[C@H]1C[NH3+] ZINC000923500273 679769059 /nfs/dbraw/zinc/76/90/59/679769059.db2.gz WFOWNKBWVTUDLM-HOCLYGCPSA-N 2 0 295.471 1.990 10 0 CDAERP C[C@@H]1C[N@H+](Cc2cccc3c2OCCO3)CC[C@H]1C[NH3+] ZINC000923497898 679787948 /nfs/dbraw/zinc/78/79/48/679787948.db2.gz NEMBDJYVUDSYQX-OLZOCXBDSA-N 2 0 276.380 1.875 10 0 CDAERP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]CC1(O)CCCCC1 ZINC000843072232 679795329 /nfs/dbraw/zinc/79/53/29/679795329.db2.gz FSSIKKXVIGCCJM-OAHLLOKOSA-N 2 0 284.444 1.508 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCOC23CCCCC3)CC1 ZINC000925111297 679803068 /nfs/dbraw/zinc/80/30/68/679803068.db2.gz BKPYCFOICGLVEF-CQSZACIVSA-N 2 0 282.428 1.525 10 0 CDAERP Cn1ccc(CC[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)n1 ZINC000925638627 679808999 /nfs/dbraw/zinc/80/89/99/679808999.db2.gz DPFCREHCWQJDNH-JKSUJKDBSA-N 2 0 276.428 1.721 10 0 CDAERP CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925817179 679816864 /nfs/dbraw/zinc/81/68/64/679816864.db2.gz ODBGQHTWGDSBHW-KBPBESRZSA-N 2 0 253.434 1.824 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=[NH2+])NCC1CCC1 ZINC000849046351 679819555 /nfs/dbraw/zinc/81/95/55/679819555.db2.gz CFDXBIOTVQGKJV-UHFFFAOYSA-N 2 0 254.422 1.878 10 0 CDAERP COCC[C@@H](C)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923449139 679822911 /nfs/dbraw/zinc/82/29/11/679822911.db2.gz KIRVYBMZXPISTP-CHWSQXEVSA-N 2 0 256.390 1.241 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)N1c2ccccc2[C@@H]([NH3+])C1(C)C ZINC000867987650 679838355 /nfs/dbraw/zinc/83/83/55/679838355.db2.gz NJDFZFXXGNZQRN-GXTWGEPZSA-N 2 0 291.395 1.564 10 0 CDAERP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000870994724 679849271 /nfs/dbraw/zinc/84/92/71/679849271.db2.gz ULFVOXYOVDRBOH-BXUZGUMPSA-N 2 0 255.406 1.193 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2COC(C)(C)O2)[C@@H](C)C1 ZINC000851846829 679853762 /nfs/dbraw/zinc/85/37/62/679853762.db2.gz JBERVSONHAMWLE-MJBXVCDLSA-N 2 0 270.417 1.800 10 0 CDAERP CC[C@@H]1CCN(C(=[NH2+])NC[C@@H](C)N2CC[NH+](CC)CC2)C1 ZINC000864451527 679856739 /nfs/dbraw/zinc/85/67/39/679856739.db2.gz CJPYZLQPYFGSKC-HUUCEWRRSA-N 2 0 295.475 1.269 10 0 CDAERP C[C@H]([C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)N1CCOCC1 ZINC000925499594 679861927 /nfs/dbraw/zinc/86/19/27/679861927.db2.gz RDESUNSDPMYXOA-LJISPDSOSA-N 2 0 283.460 1.591 10 0 CDAERP C[C@@H]1C[N@H+](Cc2nc(-c3ccccn3)no2)CC[C@H]1C[NH3+] ZINC000923498828 679861941 /nfs/dbraw/zinc/86/19/41/679861941.db2.gz IRZDMNXIYYIENE-NEPJUHHUSA-N 2 0 287.367 1.548 10 0 CDAERP CC(C)c1cc([C@@H]2CCC[N@@H+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)C2)[nH]n1 ZINC000923422964 679867228 /nfs/dbraw/zinc/86/72/28/679867228.db2.gz YBYSVHWEZQAKQE-KNPMLCFXSA-N 2 0 292.427 1.563 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccc(F)cc2)C12CCC2 ZINC000925561425 679868790 /nfs/dbraw/zinc/86/87/90/679868790.db2.gz BTZVZIAGGKUKCB-BPLDGKMQSA-N 2 0 294.370 1.425 10 0 CDAERP C[C@@H](CC1CC1)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925852235 681800754 /nfs/dbraw/zinc/80/07/54/681800754.db2.gz HKJZLOIYUPUQAI-WCQYABFASA-N 2 0 266.385 1.450 10 0 CDAERP [NH2+]=C(NCCCCC[NH+]1CCCC1)NC[C@@H]1CCCO1 ZINC000849033554 682179908 /nfs/dbraw/zinc/17/99/08/682179908.db2.gz PUGXTUHQHUXIJL-AWEZNQCLSA-N 2 0 282.432 1.545 10 0 CDAERP C[C@H]1CC2(CC([NH2+]CC(C)(C)N3CC[NH+](C)CC3)C2)CO1 ZINC000924629263 681221201 /nfs/dbraw/zinc/22/12/01/681221201.db2.gz NVJUPKWETMWVIL-UQPPLGOBSA-N 2 0 295.471 1.560 10 0 CDAERP C[C@@H]1CC2(CC([NH2+]CCN3CC[N@H+](C)C(C)(C)C3)C2)CO1 ZINC000926358344 681508873 /nfs/dbraw/zinc/50/88/73/681508873.db2.gz XLBKZXJJAQZVSX-HPUBIQBYSA-N 2 0 295.471 1.560 10 0 CDAERP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870955392 681601462 /nfs/dbraw/zinc/60/14/62/681601462.db2.gz WOLNGRODXNZAQC-FQLMCAECSA-N 2 0 279.428 1.350 10 0 CDAERP CCCCCC[N@H+](C)CC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000834636420 681658383 /nfs/dbraw/zinc/65/83/83/681658383.db2.gz OJHUOEMBQLGNRH-UONOGXRCSA-N 2 0 269.433 1.613 10 0 CDAERP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923496720 681679098 /nfs/dbraw/zinc/67/90/98/681679098.db2.gz CIFWZKCVPDJFON-RFGFWPKPSA-N 2 0 269.433 1.596 10 0 CDAERP C/C=C/C=C\C(=O)NCCN(C)CCC[NH+](C)C ZINC000855416144 681698092 /nfs/dbraw/zinc/69/80/92/681698092.db2.gz HNWLQKZJUOZIPO-UQIVLYAPSA-N 2 0 253.390 1.118 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925716599 681768121 /nfs/dbraw/zinc/76/81/21/681768121.db2.gz AVPXKWPKIIAHJH-SPWCGHHHSA-N 2 0 251.418 1.495 10 0 CDAERP C[C@@H](C[NH2+][C@@H]1CCOC12CCOCC2)C[NH+](C)C ZINC000926475191 681836078 /nfs/dbraw/zinc/83/60/78/681836078.db2.gz SKVWCTUPPONDRZ-QWHCGFSZSA-N 2 0 256.390 1.112 10 0 CDAERP CCC[C@H](C)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000179892420 681840887 /nfs/dbraw/zinc/84/08/87/681840887.db2.gz DUBHDUNPEFXKFD-AWEZNQCLSA-N 2 0 283.460 1.812 10 0 CDAERP [NH3+][C@H]1C[C@H]([NH2+]CCCOC2CCOCC2)C12CCC2 ZINC000925582738 681876976 /nfs/dbraw/zinc/87/69/76/681876976.db2.gz ZHZLZGVCNKXUAC-KBPBESRZSA-N 2 0 268.401 1.432 10 0 CDAERP C[C@@H](c1cccc(F)c1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923461024 681922613 /nfs/dbraw/zinc/92/26/13/681922613.db2.gz JFBACKIKPHMJSX-LBPRGKRZSA-N 2 0 251.349 1.382 10 0 CDAERP Cc1cccc(OCC[N@@H+](C)C[C@@H]2CC3(C[NH2+]C3)CO2)c1 ZINC000923302027 681962358 /nfs/dbraw/zinc/96/23/58/681962358.db2.gz PLFDPKVQRYNXRH-INIZCTEOSA-N 2 0 290.407 1.684 10 0 CDAERP CC(C)C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC(N)=O ZINC000923306090 682009224 /nfs/dbraw/zinc/00/92/24/682009224.db2.gz PSULBGDDUCRAMK-AGUYFDCRSA-N 2 0 267.417 1.350 10 0 CDAERP [NH3+]CCCCCC[NH+]1CCN(c2cccnn2)CC1 ZINC000846222674 682019407 /nfs/dbraw/zinc/01/94/07/682019407.db2.gz XHGFVCZHTNNUPE-UHFFFAOYSA-N 2 0 263.389 1.118 10 0 CDAERP CCOC(=O)[C@@H]1C[C@H]1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000929834296 682037437 /nfs/dbraw/zinc/03/74/37/682037437.db2.gz JKZORAIKQSMGPF-DZGCQCFKSA-N 2 0 289.379 1.403 10 0 CDAERP C[C@@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)Cn1ccnc1 ZINC000858118383 682083300 /nfs/dbraw/zinc/08/33/00/682083300.db2.gz YJIFATCVFBETBF-UONOGXRCSA-N 2 0 264.417 1.982 10 0 CDAERP CCC[NH+]1CCC(NC(=O)CCC23CC(C2)C[NH2+]3)CC1 ZINC000870858693 682084065 /nfs/dbraw/zinc/08/40/65/682084065.db2.gz YZDMCXAHIXGTMN-UHFFFAOYSA-N 2 0 279.428 1.509 10 0 CDAERP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1cc2n(n1)CCC2 ZINC000925797731 682108518 /nfs/dbraw/zinc/10/85/18/682108518.db2.gz VLTILJCJYPHBBD-FRRDWIJNSA-N 2 0 262.401 1.726 10 0 CDAERP C[N@H+](CCN[C@H]1CC[NH2+]C12CCC2)C1CCCC1 ZINC000925499821 682141428 /nfs/dbraw/zinc/14/14/28/682141428.db2.gz UHMZPMXCQVLMNW-AWEZNQCLSA-N 2 0 251.418 1.735 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000926787422 682143434 /nfs/dbraw/zinc/14/34/34/682143434.db2.gz XIYADVGLZAXVEJ-BHTBYTLBSA-N 2 0 262.397 1.340 10 0 CDAERP Cn1cc(C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)cn1 ZINC000866705684 682193685 /nfs/dbraw/zinc/19/36/85/682193685.db2.gz HAWBGPLGZHFWKK-CQSZACIVSA-N 2 0 250.390 1.617 10 0 CDAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCc2nnn(C)c2C1 ZINC000925892820 682207267 /nfs/dbraw/zinc/20/72/67/682207267.db2.gz FTOODXRBWQUEFH-HZSPNIEDSA-N 2 0 291.443 1.573 10 0 CDAERP C[C@H]1C[C@@H](N(C)C(=O)CC[NH2+]CC2CC2)CC[N@@H+]1C ZINC000870893048 682251807 /nfs/dbraw/zinc/25/18/07/682251807.db2.gz NKYYRAZUPPIZPN-JSGCOSHPSA-N 2 0 267.417 1.317 10 0 CDAERP C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1C[C@@H](C(N)=O)C1 ZINC000923399818 682255604 /nfs/dbraw/zinc/25/56/04/682255604.db2.gz HBUOCZGLMDNGEK-BZGXSOKISA-N 2 0 265.401 1.103 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](CC(=O)N2CCCC2)C1 ZINC000866708521 682256466 /nfs/dbraw/zinc/25/64/66/682256466.db2.gz QXOOBYWFRWNDGZ-HNNXBMFYSA-N 2 0 267.417 1.306 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000870572437 682330100 /nfs/dbraw/zinc/33/01/00/682330100.db2.gz OTPMWTDCXLHBRZ-UHFFFAOYSA-N 2 0 281.444 1.804 10 0 CDAERP CC(C)(C)[NH+]1CCC([NH2+]C[C@H](O)C[C@@](C)(O)C2CC2)CC1 ZINC000872201293 682374872 /nfs/dbraw/zinc/37/48/72/682374872.db2.gz VPSXSGXIDPRMOA-NVXWUHKLSA-N 2 0 298.471 1.751 10 0 CDAERP [NH3+][C@H]1C[C@H]([NH2+]CCN2CCc3sccc3C2)C12CCC2 ZINC000925490797 682375968 /nfs/dbraw/zinc/37/59/68/682375968.db2.gz CFGQOAQBXUDZSZ-GJZGRUSLSA-N 2 0 291.464 1.966 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CC2(C3(O)CCOCC3)CC2)C1 ZINC000925827966 682395761 /nfs/dbraw/zinc/39/57/61/682395761.db2.gz YZXQKOZTJKUMNG-UONOGXRCSA-N 2 0 296.455 1.804 10 0 CDAERP C[C@@H]1C[N@H+](CCCN[C@H]2C[C@H]([NH3+])C23CCC3)CCCO1 ZINC000925651500 682408673 /nfs/dbraw/zinc/40/86/73/682408673.db2.gz DQKSYPIYYGZKIO-ILXRZTDVSA-N 2 0 281.444 1.347 10 0 CDAERP CC(C)OCC[C@H](O)C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000923415182 682447335 /nfs/dbraw/zinc/44/73/35/682447335.db2.gz OYZZHIXWLFCLJV-GOEBONIOSA-N 2 0 286.460 1.859 10 0 CDAERP CC(C)C[C@H](CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)[NH+](C)C ZINC000713362260 682461328 /nfs/dbraw/zinc/46/13/28/682461328.db2.gz QPOWQHHTAAQZCV-COMQUAJESA-N 2 0 267.417 1.206 10 0 CDAERP CCC[NH+]1CCC(CNC2=[NH+]CCCCN2)CC1 ZINC000849215611 682477146 /nfs/dbraw/zinc/47/71/46/682477146.db2.gz SVNSNANQKLAYJD-UHFFFAOYSA-N 2 0 252.406 1.437 10 0 CDAERP COCCC[N@H+](C)CCN[C@H]1CC[NH2+]C12CCCC2 ZINC000925520544 682481680 /nfs/dbraw/zinc/48/16/80/682481680.db2.gz XJRDOOBMOUFENP-AWEZNQCLSA-N 2 0 269.433 1.219 10 0 CDAERP C[NH+](C)Cc1ccc(C[N@H+](C)CC2(O)CCOCC2)cc1 ZINC000783715847 682482620 /nfs/dbraw/zinc/48/26/20/682482620.db2.gz YMFUFAUAPXPOKJ-UHFFFAOYSA-N 2 0 292.423 1.722 10 0 CDAERP C1=C(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CC[NH2+]C1 ZINC000925699675 682486167 /nfs/dbraw/zinc/48/61/67/682486167.db2.gz PJHYMEONDLXNJB-HOTGVXAUSA-N 3 0 263.429 1.664 10 0 CDAERP CC1CC[NH+](CCCNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC1 ZINC000713224882 682488005 /nfs/dbraw/zinc/48/80/05/682488005.db2.gz ZQVLHKGXQYVADP-YCPHGPKFSA-N 2 0 279.428 1.352 10 0 CDAERP CCOC(=O)CCCC[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923450722 682513028 /nfs/dbraw/zinc/51/30/28/682513028.db2.gz IIAQJVRKTDBLAF-AWEZNQCLSA-N 2 0 298.427 1.550 10 0 CDAERP CC[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)[C@H]1CCCOC1 ZINC000723969475 682518904 /nfs/dbraw/zinc/51/89/04/682518904.db2.gz QTJHTHIQHTVDCJ-JKSUJKDBSA-N 2 0 283.460 1.419 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)C[C@H]1CC[C@@H](C2CC2)O1 ZINC000715407070 682541212 /nfs/dbraw/zinc/54/12/12/682541212.db2.gz ZCZDJLLNDWRPMV-KGLIPLIRSA-N 2 0 256.390 1.112 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)[C@H](O)c1ccccc1 ZINC000817931178 682589657 /nfs/dbraw/zinc/58/96/57/682589657.db2.gz JOYUAHGPQTZETP-QEJZJMRPSA-N 2 0 266.385 1.452 10 0 CDAERP Cc1nc(CC2CC[NH+](CCC[NH2+]C3CC3)CC2)no1 ZINC000923432877 682591353 /nfs/dbraw/zinc/59/13/53/682591353.db2.gz SDSWMKUYHDBZTE-UHFFFAOYSA-N 2 0 278.400 1.775 10 0 CDAERP C[C@H](C[C@H]1COCCN1)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000715578654 682600969 /nfs/dbraw/zinc/60/09/69/682600969.db2.gz GAEIBGMWEGHEII-CIDNJEQPSA-N 2 0 283.460 1.606 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)[C@H](C)C1 ZINC000926946414 682641948 /nfs/dbraw/zinc/64/19/48/682641948.db2.gz UKDQFAFITKYXHZ-ZSAUSMIDSA-N 2 0 268.401 1.110 10 0 CDAERP CCO[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)C[NH+](C)C ZINC000922757446 682683196 /nfs/dbraw/zinc/68/31/96/682683196.db2.gz GILPWKMCPHYFEG-UMVBOHGHSA-N 2 0 269.433 1.168 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C=C2CC[NH2+]CC2)C1 ZINC000852868403 682701359 /nfs/dbraw/zinc/70/13/59/682701359.db2.gz RWFHHBCIWKRCDZ-HNNXBMFYSA-N 2 0 279.428 1.390 10 0 CDAERP Cc1ccc([C@H](C)[NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)o1 ZINC000925855693 682711195 /nfs/dbraw/zinc/71/11/95/682711195.db2.gz OIAGSSFBDMYCTK-QWHCGFSZSA-N 2 0 292.379 1.924 10 0 CDAERP COC[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+])C(C)C ZINC000925873217 682732617 /nfs/dbraw/zinc/73/26/17/682732617.db2.gz GQEKLSXAFXEUBM-XJFOESAGSA-N 2 0 258.406 1.247 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)/C=C/[C@H]1CCC[NH2+]C1)C2 ZINC000872263516 682833286 /nfs/dbraw/zinc/83/32/86/682833286.db2.gz FZLJGECOWZKDDE-CUDIFFCRSA-N 2 0 277.412 1.000 10 0 CDAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C[C@H]1C[NH+](C)C ZINC000870020173 682846612 /nfs/dbraw/zinc/84/66/12/682846612.db2.gz GLWBHIKAXQBKKV-SUJAAXHWSA-N 2 0 293.455 1.230 10 0 CDAERP CN(CCC[NH+](C)C)CCNC(=O)Nc1cccnc1F ZINC000823863674 682855846 /nfs/dbraw/zinc/85/58/46/682855846.db2.gz VMJRDZXLALUYLF-UHFFFAOYSA-N 2 0 297.378 1.226 10 0 CDAERP COC(=O)/C(C)=C\C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000214569765 682863090 /nfs/dbraw/zinc/86/30/90/682863090.db2.gz TVFAQWIAKJSHQW-RZNTYIFUSA-N 2 0 280.412 1.914 10 0 CDAERP CC[C@@H]1C[C@@H](C[NH2+]CC2([NH3+])CCOCC2)CCO1 ZINC000863482013 683056297 /nfs/dbraw/zinc/05/62/97/683056297.db2.gz PPPFVCFRTFKVDL-QWHCGFSZSA-N 2 0 256.390 1.289 10 0 CDAERP CCCC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])NC1CC1 ZINC000066245820 683088963 /nfs/dbraw/zinc/08/89/63/683088963.db2.gz GZWSETKAANRNMK-CYBMUJFWSA-N 2 0 252.406 1.708 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@H](O)c2ccco2)C1 ZINC000925607335 683104652 /nfs/dbraw/zinc/10/46/52/683104652.db2.gz VLUKSFDLFRZAAI-UTUOFQBUSA-N 2 0 252.358 1.809 10 0 CDAERP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870906378 683169603 /nfs/dbraw/zinc/16/96/03/683169603.db2.gz LWIRSLAJYFRLAA-RDNPCOENSA-N 2 0 277.412 1.118 10 0 CDAERP C[NH2+]CC1CC[NH+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)CC1 ZINC000720879346 683176319 /nfs/dbraw/zinc/17/63/19/683176319.db2.gz JDCSKYLPPFNPMI-ILXRZTDVSA-N 2 0 252.402 1.875 10 0 CDAERP CC(C)C[N@H+](C)CCCN[C@@H]1CC[NH2+]C12CCC2 ZINC000925712284 683226970 /nfs/dbraw/zinc/22/69/70/683226970.db2.gz OASSNRUBIHFMQQ-CQSZACIVSA-N 2 0 253.434 1.839 10 0 CDAERP C1C[C@@H]2C[C@H]([NH2+][C@H]3CCC[C@H]3[C@@H]3COCCN3)CC[N@@H+]2C1 ZINC000261917087 683284353 /nfs/dbraw/zinc/28/43/53/683284353.db2.gz JQYQCPXMEIWUCP-MTSZKFMLSA-N 2 0 293.455 1.360 10 0 CDAERP CC(C)(C)[NH+]1CCC([NH2+]CCN2CCC([NH3+])CC2)CC1 ZINC000925808228 683300982 /nfs/dbraw/zinc/30/09/82/683300982.db2.gz BKFFHQHSKFCTTQ-UHFFFAOYSA-N 3 0 282.476 1.262 10 0 CDAERP CC1(C)[C@H]([NH2+]CCCOC2CCOCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925581176 683315260 /nfs/dbraw/zinc/31/52/60/683315260.db2.gz QSTSDYRFPDSUKY-OWCLPIDISA-N 2 0 296.455 1.938 10 0 CDAERP CCOC(=O)C1=CC[C@H]([NH2+][C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000863542262 683321944 /nfs/dbraw/zinc/32/19/44/683321944.db2.gz CEQIPYBTBNVXDA-IHRRRGAJSA-N 2 0 266.385 1.745 10 0 CDAERP CC(C)[C@H](C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1)[C@H](C)[NH3+] ZINC000870994752 683358702 /nfs/dbraw/zinc/35/87/02/683358702.db2.gz UTSBGMVTIAGCCB-HEHGZKQESA-N 2 0 283.460 1.829 10 0 CDAERP C1[NH2+]C[C@H]2CC[C@@H]([NH2+][C@H]3CCCN4CCSC[C@H]34)C[C@@H]12 ZINC000720485077 683359522 /nfs/dbraw/zinc/35/95/22/683359522.db2.gz SZFOMAWWDFEORD-DGADGQDISA-N 2 0 295.496 1.544 10 0 CDAERP OC[C@H]1C=C[C@@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925617954 683374518 /nfs/dbraw/zinc/37/45/18/683374518.db2.gz YGKHSRFWAFFTSF-LCGIIJARSA-N 2 0 264.413 1.681 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CC[C@H]1CC(C)(C)CO1 ZINC000717312740 683437583 /nfs/dbraw/zinc/43/75/83/683437583.db2.gz HTHGACZKJWIMEJ-OLZOCXBDSA-N 2 0 258.406 1.535 10 0 CDAERP CC1(C)[C@H]([NH2+]CCN2CCC([NH3+])CC2)[C@H]2CCCO[C@@H]21 ZINC000925812380 683477661 /nfs/dbraw/zinc/47/76/61/683477661.db2.gz PIQNSUSPCKJLCB-KFWWJZLASA-N 2 0 281.444 1.203 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccnc(F)c1)CN1CC[NH+](C)CC1 ZINC000858125425 683490739 /nfs/dbraw/zinc/49/07/39/683490739.db2.gz DFPFGWSZWUGGQS-ZDUSSCGKSA-N 2 0 280.391 1.194 10 0 CDAERP Cc1nccnc1C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866706285 683497660 /nfs/dbraw/zinc/49/76/60/683497660.db2.gz AWZYFTJEDSZNIH-HNNXBMFYSA-N 2 0 262.401 1.982 10 0 CDAERP C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)O[C@@H]1CCOC1 ZINC000724930072 683539401 /nfs/dbraw/zinc/53/94/01/683539401.db2.gz GGFGSXAWYDEJSF-ZNMIVQPWSA-N 2 0 268.401 1.256 10 0 CDAERP c1cncc([C@@H]2C[NH2+]CCN2CCC[NH2+]C2CC2)c1 ZINC000923349176 683621437 /nfs/dbraw/zinc/62/14/37/683621437.db2.gz POZOOVYEYFBZNX-HNNXBMFYSA-N 2 0 260.385 1.170 10 0 CDAERP C(c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1)[C@H]1CC[NH2+]C1 ZINC000871796725 683642919 /nfs/dbraw/zinc/64/29/19/683642919.db2.gz ISKBMDOOXRULQT-WAAKLRNESA-N 2 0 262.357 1.220 10 0 CDAERP CCOC(=O)C1=CC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000863544153 683643996 /nfs/dbraw/zinc/64/39/96/683643996.db2.gz MNEZDOQGTNEEIB-ZQDZILKHSA-N 2 0 278.396 1.616 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870963528 683727391 /nfs/dbraw/zinc/72/73/91/683727391.db2.gz MVVNZEOYKYTDBQ-FRRDWIJNSA-N 2 0 253.390 1.104 10 0 CDAERP [NH3+]Cc1ccc(-c2noc(CO[C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000842649728 683737830 /nfs/dbraw/zinc/73/78/30/683737830.db2.gz BZPRKKQWKSLJFL-CYBMUJFWSA-N 2 0 288.351 1.464 10 0 CDAERP C[NH+](C)C1(CNC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000922985864 683767982 /nfs/dbraw/zinc/76/79/82/683767982.db2.gz MINZUJMPSRKTII-GFCCVEGCSA-N 2 0 282.432 1.253 10 0 CDAERP CC[C@@H]1CCN(C(=[NH2+])NCC2=CC[N@H+](C)CC2)C1 ZINC000864462533 683773460 /nfs/dbraw/zinc/77/34/60/683773460.db2.gz MQIISTYMIXOSMO-GFCCVEGCSA-N 2 0 250.390 1.505 10 0 CDAERP c1[nH]nc2cc(C[NH2+][C@H]3CC34CC[NH2+]CC4)ccc12 ZINC000841080915 683792815 /nfs/dbraw/zinc/79/28/15/683792815.db2.gz WYSDBHNUQSLXBW-AWEZNQCLSA-N 2 0 256.353 1.795 10 0 CDAERP CC(C)CN(C(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1)C1CC1 ZINC000923501927 683807247 /nfs/dbraw/zinc/80/72/47/683807247.db2.gz XBOFTXPNBLRAAA-ZIAGYGMSSA-N 2 0 281.444 1.550 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000863543722 683831258 /nfs/dbraw/zinc/83/12/58/683831258.db2.gz WPNYGEXYIJXSOU-GFCCVEGCSA-N 2 0 264.369 1.508 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCOC2=O)[C@H]2CCC[C@@H]21 ZINC000872111254 683836168 /nfs/dbraw/zinc/83/61/68/683836168.db2.gz BOGPFYDEJDUXLO-KBXIAJHMSA-N 2 0 280.412 1.792 10 0 CDAERP CCO[C@H]1C[C@@H]([NH2+]CCN2CCC([NH3+])CC2)C1(C)C ZINC000233771453 683853205 /nfs/dbraw/zinc/85/32/05/683853205.db2.gz CDEXHWDVSWSSRU-KGLIPLIRSA-N 2 0 269.433 1.203 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000842007251 683865605 /nfs/dbraw/zinc/86/56/05/683865605.db2.gz SAKJHEFSWPMIFC-STQMWFEESA-N 2 0 292.427 1.625 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C[NH+](C)C)C(C)C)CC[N@@H+]1C ZINC000865800797 683873135 /nfs/dbraw/zinc/87/31/35/683873135.db2.gz SNEPIQBMXKZFSN-BFHYXJOUSA-N 2 0 269.433 1.419 10 0 CDAERP C[C@H](CN[C@H]1CC[NH2+]C12CCCC2)[N@H+](C)C1CC1 ZINC000925492000 683874290 /nfs/dbraw/zinc/87/42/90/683874290.db2.gz GQWFQKWZGFIMIG-OCCSQVGLSA-N 2 0 251.418 1.733 10 0 CDAERP C[C@H](CO[C@@H]1CCOC1)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925542271 683880588 /nfs/dbraw/zinc/88/05/88/683880588.db2.gz YLEMSGHCKQXPMC-LPWJVIDDSA-N 2 0 254.374 1.040 10 0 CDAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](C[C@@H]1CC[C@H](C3CC3)O1)CC2 ZINC000923447617 683881967 /nfs/dbraw/zinc/88/19/67/683881967.db2.gz UXKWATVNHPUGMP-HRCADAONSA-N 2 0 294.439 1.774 10 0 CDAERP COC(=O)CC[N@H+](C[C@@H]([NH3+])CC(C)C)C1CCOCC1 ZINC000841008709 683924410 /nfs/dbraw/zinc/92/44/10/683924410.db2.gz AOBXLCUBQARERF-ZDUSSCGKSA-N 2 0 286.416 1.404 10 0 CDAERP COC(=O)c1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000923500030 683983535 /nfs/dbraw/zinc/98/35/35/683983535.db2.gz UJLGDLYNYZUBRJ-WFASDCNBSA-N 2 0 276.380 1.890 10 0 CDAERP CCO[C@H](CN[C@H](Cc1ccccc1)[C@H](C)[NH3+])C[NH+](C)C ZINC000925841950 683983950 /nfs/dbraw/zinc/98/39/50/683983950.db2.gz VJJQHJAEPRNDAU-USXIJHARSA-N 2 0 293.455 1.501 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@H](C)Cn1ccnc1 ZINC000713017928 683990998 /nfs/dbraw/zinc/99/09/98/683990998.db2.gz SVFABHLYSAAQEM-NEPJUHHUSA-N 2 0 266.389 1.397 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H](CCO)C2CCOCC2)C1 ZINC000925639108 684002491 /nfs/dbraw/zinc/00/24/91/684002491.db2.gz JEJVINPYUPWPFN-RBSFLKMASA-N 2 0 284.444 1.660 10 0 CDAERP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCCC2(CC2)CC1 ZINC000702490527 684040059 /nfs/dbraw/zinc/04/00/59/684040059.db2.gz ADCLMGVMJKGFAH-CQSZACIVSA-N 2 0 252.402 1.709 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](C)[C@@H]1C ZINC000928446052 684053190 /nfs/dbraw/zinc/05/31/90/684053190.db2.gz UGLKLRLTZFVVHB-JHJVBQTASA-N 2 0 253.390 1.070 10 0 CDAERP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CCO[C@@H]2CCOC2)CC1 ZINC000923376191 684055563 /nfs/dbraw/zinc/05/55/63/684055563.db2.gz VHYPHBJODZXCGV-OAGGEKHMSA-N 2 0 298.427 1.010 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)NC[C@H]2CCCC[NH+]2C2CC2)CC[N@@H+]1C ZINC000922206795 684056921 /nfs/dbraw/zinc/05/69/21/684056921.db2.gz RJTIKVLALUZMRB-YUELXQCFSA-N 2 0 294.443 1.395 10 0 CDAERP CCO[C@@H]1C[N@H+](C[C@@H](O)CCc2ccccc2)C[C@H]1C[NH3+] ZINC000923389315 684063076 /nfs/dbraw/zinc/06/30/76/684063076.db2.gz VWGNNULVDPWJEO-IXDOHACOSA-N 2 0 292.423 1.276 10 0 CDAERP CC1(C)C[C@]1(C)C[NH2+][C@@H](C1CC1)[C@H]1CNCCO1 ZINC000925734837 684070006 /nfs/dbraw/zinc/07/00/06/684070006.db2.gz VTGKOHJDAAHFEM-VNHYZAJKSA-N 2 0 252.402 1.779 10 0 CDAERP CCOCCOCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000922943416 684071035 /nfs/dbraw/zinc/07/10/35/684071035.db2.gz BIAKWXHCRCPNLF-UHFFFAOYSA-N 2 0 290.367 1.410 10 0 CDAERP CC[NH+](CC)CCSCC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000928450783 684084214 /nfs/dbraw/zinc/08/42/14/684084214.db2.gz SJTWMEHCXVXQFD-OLZOCXBDSA-N 2 0 287.473 1.270 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]CCOCC(F)(F)C(F)F)C12CCC2 ZINC000925651436 684093150 /nfs/dbraw/zinc/09/31/50/684093150.db2.gz CJDNDZBPNPTVKO-RKDXNWHRSA-N 2 0 284.297 1.763 10 0 CDAERP C[NH+]1CCC(C[NH2+]C[C@@H]2CC3(CO2)CCOCC3)CC1 ZINC000712663764 684112970 /nfs/dbraw/zinc/11/29/70/684112970.db2.gz GKDLREUAUYLDPI-HNNXBMFYSA-N 2 0 282.428 1.504 10 0 CDAERP COc1c(C[N@H+](C)CCCCCC[NH3+])c(C)nn1C ZINC000710834774 684114987 /nfs/dbraw/zinc/11/49/87/684114987.db2.gz QUNMPGSDFJATBF-UHFFFAOYSA-N 2 0 268.405 1.688 10 0 CDAERP CC(C)[C@H]([NH3+])C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000870994727 684116590 /nfs/dbraw/zinc/11/65/90/684116590.db2.gz ULFVOXYOVDRBOH-SMDDNHRTSA-N 2 0 255.406 1.193 10 0 CDAERP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CCO[C@H]2CCOC2)CC1 ZINC000923376189 684140535 /nfs/dbraw/zinc/14/05/35/684140535.db2.gz VHYPHBJODZXCGV-ARFHVFGLSA-N 2 0 298.427 1.010 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2C[C@@H]([NH3+])Cc3ccccc32)C1 ZINC000872299213 684162754 /nfs/dbraw/zinc/16/27/54/684162754.db2.gz ADOBSJPCTBHEGZ-RSUWNVLCSA-N 2 0 271.364 1.030 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+]C[C@@]1(C(F)(F)F)CCCN1 ZINC000925852222 684176317 /nfs/dbraw/zinc/17/63/17/684176317.db2.gz FBTUCWNFNFOXFR-WDEREUQCSA-N 2 0 267.339 1.778 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC2([NH+](C)C)CC2)[C@H](C)C1 ZINC000923004977 684222115 /nfs/dbraw/zinc/22/21/15/684222115.db2.gz HYEFGDLHAWHSSW-KGLIPLIRSA-N 2 0 296.459 1.452 10 0 CDAERP CC[NH2+]C1(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CCC1 ZINC001724799107 1158749895 /nfs/dbraw/zinc/74/98/95/1158749895.db2.gz CSLPGOHHIIELKF-STQMWFEESA-N 2 0 267.417 1.508 10 0 CDAERP CCC[N@H+](CCNC(=O)C[NH+]1CCCC1)CC(C)C ZINC001691198056 1158952935 /nfs/dbraw/zinc/95/29/35/1158952935.db2.gz FJXISQGZLGTPDH-UHFFFAOYSA-N 2 0 269.433 1.566 10 0 CDAERP CC1CC(C[NH2+]CCN(C)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001691348339 1159029310 /nfs/dbraw/zinc/02/93/10/1159029310.db2.gz XMUQKXRXKASZOX-UHFFFAOYSA-N 2 0 281.444 1.565 10 0 CDAERP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC000692962889 1158468486 /nfs/dbraw/zinc/46/84/86/1158468486.db2.gz SWGDXFVRENFUAH-JKSUJKDBSA-N 2 0 266.429 1.955 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[C@H]2[NH3+])C1 ZINC000389586301 1158756571 /nfs/dbraw/zinc/75/65/71/1158756571.db2.gz NBJJSNXIWDBGES-RWMBFGLXSA-N 2 0 253.390 1.104 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000250654838 1159278825 /nfs/dbraw/zinc/27/88/25/1159278825.db2.gz XOMLIWMKRKZUKF-AGIUHOORSA-N 2 0 253.390 1.104 10 0 CDAERP CC(C)[NH+]1CC(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001267701325 1159571421 /nfs/dbraw/zinc/57/14/21/1159571421.db2.gz PNBHFLACBQORAV-STQMWFEESA-N 2 0 267.417 1.316 10 0 CDAERP C[C@H](F)CC[N@H+](C)[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001409565436 1160848165 /nfs/dbraw/zinc/84/81/65/1160848165.db2.gz IOGOXQNERFRKGE-KBPBESRZSA-N 2 0 299.434 1.799 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC2(C)CC[NH+](CC)CC2)CC[N@@H+]1C ZINC001484136281 1161254822 /nfs/dbraw/zinc/25/48/22/1161254822.db2.gz APJUPPKTJXEPPR-LSDHHAIUSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC(C)(C)[NH+](C)C)C1 ZINC001618046230 1165618468 /nfs/dbraw/zinc/61/84/68/1165618468.db2.gz SOJGJICXIRJJAA-STQMWFEESA-N 2 0 269.433 1.563 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC001625543626 1165914842 /nfs/dbraw/zinc/91/48/42/1165914842.db2.gz JQIMHLFJOMLKIE-ZDUSSCGKSA-N 2 0 269.433 1.517 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CCC23CC[NH+](C)CC3)C1 ZINC001637424839 1166755136 /nfs/dbraw/zinc/75/51/36/1166755136.db2.gz ICLUBUXREGHMFA-ZDUSSCGKSA-N 2 0 265.401 1.025 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC001639801125 1166970319 /nfs/dbraw/zinc/97/03/19/1166970319.db2.gz BLSVBOPMNQQHBG-MELADBBJSA-N 2 0 267.417 1.317 10 0 CDAERP CN(C)c1cccc(CN2CC[C@@H](C[NH+](C)C)C2)n1 ZINC001642685421 1167190147 /nfs/dbraw/zinc/19/01/47/1167190147.db2.gz ULRJBUMMSDMXGW-ZDUSSCGKSA-N 2 0 262.401 1.531 10 0 CDAERP COCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001566536107 1168322790 /nfs/dbraw/zinc/32/27/90/1168322790.db2.gz ZYLCPGVHJTXAKA-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001566776724 1168417324 /nfs/dbraw/zinc/41/73/24/1168417324.db2.gz BYVZYWIARUSWKR-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC001587298202 1168452977 /nfs/dbraw/zinc/45/29/77/1168452977.db2.gz JHSZPKZTUJJLFT-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP CC/C=C/CC[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001567604582 1168883415 /nfs/dbraw/zinc/88/34/15/1168883415.db2.gz HXTYRYCSLREGBE-VBROQKIQSA-N 2 0 267.417 1.342 10 0 CDAERP C[C@H](C[NH2+]CC1=CCCCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001569036798 1169606682 /nfs/dbraw/zinc/60/66/82/1169606682.db2.gz VILDAVAJGTZENM-HIFRSBDPSA-N 2 0 279.428 1.533 10 0 CDAERP COCCC[N@H+](C)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001570720226 1170253017 /nfs/dbraw/zinc/25/30/17/1170253017.db2.gz NUMXFUQJKDKSGY-CQSZACIVSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)COCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001571485672 1170451140 /nfs/dbraw/zinc/45/11/40/1170451140.db2.gz UQOHIABAMCYVEL-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP CCC[N@H+](C)CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001660282237 1172189051 /nfs/dbraw/zinc/18/90/51/1172189051.db2.gz JSAGGPIRHAWIFZ-UHFFFAOYSA-N 2 0 255.406 1.176 10 0 CDAERP CC(C)[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001662425542 1172547979 /nfs/dbraw/zinc/54/79/79/1172547979.db2.gz SEKCZVGMBSGJGF-UONOGXRCSA-N 2 0 269.433 1.610 10 0 CDAERP CC(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001662723395 1172587240 /nfs/dbraw/zinc/58/72/40/1172587240.db2.gz SVXYEPOKQOFTDF-LSDHHAIUSA-N 2 0 281.444 1.422 10 0 CDAERP CC(C)COCC[N@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001663265930 1172663122 /nfs/dbraw/zinc/66/31/22/1172663122.db2.gz ATTGZFLHZSGLDK-UHFFFAOYSA-N 2 0 299.459 1.049 10 0 CDAERP CC(C)C[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001663993391 1172797683 /nfs/dbraw/zinc/79/76/83/1172797683.db2.gz YMRKERPESNLOHG-VXGBXAGGSA-N 2 0 264.373 1.217 10 0 CDAERP CC[N@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001673462109 1172964635 /nfs/dbraw/zinc/96/46/35/1172964635.db2.gz BSCJHLMYOAZFBN-KBPBESRZSA-N 2 0 269.433 1.517 10 0 CDAERP CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001666110779 1173111768 /nfs/dbraw/zinc/11/17/68/1173111768.db2.gz KIFBIDUVGATUAJ-HOCLYGCPSA-N 2 0 293.455 1.566 10 0 CDAERP CCN(CC[NH2+]CCF)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001668652321 1173436373 /nfs/dbraw/zinc/43/63/73/1173436373.db2.gz LTKNQWVZTYVKEF-UHFFFAOYSA-N 2 0 295.402 1.769 10 0 CDAERP CCOCC[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001690827234 1175582673 /nfs/dbraw/zinc/58/26/73/1175582673.db2.gz YLKGXVNSQULFBX-OAHLLOKOSA-N 2 0 299.459 1.286 10 0 CDAERP COCC[NH2+][C@@H](C)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001690866796 1175594811 /nfs/dbraw/zinc/59/48/11/1175594811.db2.gz AZFMDJOHMFFVQJ-LSDHHAIUSA-N 2 0 299.459 1.382 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CCNC(=O)C[NH+]1CCCC1 ZINC001690879429 1175598099 /nfs/dbraw/zinc/59/80/99/1175598099.db2.gz IAZRFSBDXMYIKX-CQSZACIVSA-N 2 0 267.417 1.533 10 0 CDAERP FC(F)(F)CCC[NH2+]C[C@@H]1CN2CCC[C@H]2CO1 ZINC000133774739 1175807785 /nfs/dbraw/zinc/80/77/85/1175807785.db2.gz JFQNVUPGIFTYTK-WDEREUQCSA-N 2 0 266.307 1.782 10 0 CDAERP CC[NH2+]CCC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001698696695 1175897887 /nfs/dbraw/zinc/89/78/87/1175897887.db2.gz NXMOJYNSOBYERX-UHFFFAOYSA-N 2 0 293.455 1.853 10 0 CDAERP C[C@H](C[NH2+]C/C=C\Cl)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001698844849 1175960554 /nfs/dbraw/zinc/96/05/54/1175960554.db2.gz RFEIDIBRIAYWQL-DJFZKKHWSA-N 2 0 287.835 1.517 10 0 CDAERP CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001698939400 1175989129 /nfs/dbraw/zinc/98/91/29/1175989129.db2.gz PWXBEINRDGXKEJ-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CCCC[NH2+]CCN(CC)C(=O)C12CCC[NH+]1CCC2 ZINC001699193393 1176132715 /nfs/dbraw/zinc/13/27/15/1176132715.db2.gz ZHBZJURYTNCRFP-UHFFFAOYSA-N 2 0 281.444 1.853 10 0 CDAERP CCN(CC[NH2+]CCCF)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001699220120 1176145763 /nfs/dbraw/zinc/14/57/63/1176145763.db2.gz MVKFYLNNFKMZMH-CQSZACIVSA-N 2 0 287.423 1.659 10 0 CDAERP CCCC[NH2+]C/C=C/CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001699336882 1176259814 /nfs/dbraw/zinc/25/98/14/1176259814.db2.gz VJALPSAVGPSPEH-VBROQKIQSA-N 2 0 267.417 1.390 10 0 CDAERP C[C@@H](C[NH2+]CCF)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001699417160 1176382090 /nfs/dbraw/zinc/38/20/90/1176382090.db2.gz ZYAVZQKXSXUTOR-DZGCQCFKSA-N 2 0 299.434 1.847 10 0 CDAERP C[C@H](F)CC[NH2+]CCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001699506170 1176453747 /nfs/dbraw/zinc/45/37/47/1176453747.db2.gz AKTLQKPJMGQERM-DZGCQCFKSA-N 2 0 299.434 1.514 10 0 CDAERP C[C@@H](F)CC[NH2+]CCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001699506171 1176454562 /nfs/dbraw/zinc/45/45/62/1176454562.db2.gz AKTLQKPJMGQERM-HIFRSBDPSA-N 2 0 299.434 1.514 10 0 CDAERP CN(CCC[NH2+]CC1CC1)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001699545642 1176469017 /nfs/dbraw/zinc/46/90/17/1176469017.db2.gz XZAINWOZNUZCCR-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](CC[NH2+]CCC3CC3)C2)C1 ZINC001700088679 1176744293 /nfs/dbraw/zinc/74/42/93/1176744293.db2.gz QWADMIKKQZPPEC-CVEARBPZSA-N 2 0 293.455 1.566 10 0 CDAERP C[NH+](C)CCCCC(=O)N[C@@H]1CCC[N@H+](CCCO)CC1 ZINC001700205855 1176797212 /nfs/dbraw/zinc/79/72/12/1176797212.db2.gz ZTMASOPKDBDLLM-OAHLLOKOSA-N 2 0 299.459 1.071 10 0 CDAERP CC/C=C\CC[NH2+][C@H](C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001700429623 1176924832 /nfs/dbraw/zinc/92/48/32/1176924832.db2.gz ZFWWORXNXFDCNW-JGUVHBTRSA-N 2 0 293.455 1.921 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H](C[NH2+]C/C=C/Cl)C1 ZINC001700643446 1177051097 /nfs/dbraw/zinc/05/10/97/1177051097.db2.gz BAXDJMAJXUWSLM-GXDJRFECSA-N 2 0 285.819 1.319 10 0 CDAERP CC(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001700644812 1177053200 /nfs/dbraw/zinc/05/32/00/1177053200.db2.gz VFNBEOKEGSPBHP-MGPQQGTHSA-N 2 0 267.417 1.079 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H]1C ZINC001707265915 1177985600 /nfs/dbraw/zinc/98/56/00/1177985600.db2.gz BROKMNPEVCHWHX-OMJOCJKRSA-N 2 0 293.455 1.873 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001707265917 1177986231 /nfs/dbraw/zinc/98/62/31/1177986231.db2.gz BROKMNPEVCHWHX-YEHCYSSBSA-N 2 0 293.455 1.873 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C(C)C ZINC001713013269 1178303110 /nfs/dbraw/zinc/30/31/10/1178303110.db2.gz RCRRYROWSVHVMB-ZIAGYGMSSA-N 2 0 269.433 1.563 10 0 CDAERP CC/C=C\CC[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001713319733 1178494343 /nfs/dbraw/zinc/49/43/43/1178494343.db2.gz HAXIQSSXEVETFR-JBZXTQMFSA-N 2 0 281.444 1.921 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001713319897 1178494674 /nfs/dbraw/zinc/49/46/74/1178494674.db2.gz JOISFTCDLLKJQJ-KBPBESRZSA-N 2 0 267.417 1.531 10 0 CDAERP CCC[N@H+](C)CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001713469965 1178586522 /nfs/dbraw/zinc/58/65/22/1178586522.db2.gz GOLJLWXRKLTKLO-ZIAGYGMSSA-N 2 0 267.417 1.461 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)CC[NH2+]CC1CC(C)(C)C1 ZINC001713651189 1178697086 /nfs/dbraw/zinc/69/70/86/1178697086.db2.gz SLPJQHJQELAUOP-UHFFFAOYSA-N 2 0 283.460 1.812 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001713667112 1178702711 /nfs/dbraw/zinc/70/27/11/1178702711.db2.gz PZZWBSPPERMNEG-AWEZNQCLSA-N 2 0 299.459 1.190 10 0 CDAERP CC/C=C\CC[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001713964805 1178896508 /nfs/dbraw/zinc/89/65/08/1178896508.db2.gz MDJYZOJQGTYOFC-PVPAMPSESA-N 2 0 293.455 1.921 10 0 CDAERP O=C(N[C@H]1C[C@@H]([NH2+]CCCF)C1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001714009377 1178925360 /nfs/dbraw/zinc/92/53/60/1178925360.db2.gz HNJVPEIBOYPUAY-LJISPDSOSA-N 2 0 297.418 1.600 10 0 CDAERP CCCCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001714093069 1178968407 /nfs/dbraw/zinc/96/84/07/1178968407.db2.gz AVHMKXAVENYODR-HZPDHXFCSA-N 2 0 295.471 1.957 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001714372109 1179109780 /nfs/dbraw/zinc/10/97/80/1179109780.db2.gz ISLATYPUWURNTO-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]CCCF)C1 ZINC001714416566 1179129881 /nfs/dbraw/zinc/12/98/81/1179129881.db2.gz AWEAKEBFEOGMEJ-KGLIPLIRSA-N 2 0 287.423 1.703 10 0 CDAERP CCCCC[NH2+]CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001714719147 1179355186 /nfs/dbraw/zinc/35/51/86/1179355186.db2.gz ZRTJGENUXLJABA-UHFFFAOYSA-N 2 0 269.433 1.709 10 0 CDAERP C[C@H](C[NH2+]C/C=C/Cl)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001714746764 1179373402 /nfs/dbraw/zinc/37/34/02/1179373402.db2.gz BZOGIRNKQXVAED-LOWFTVKWSA-N 2 0 287.835 1.517 10 0 CDAERP Cc1cc(C[NH2+]CCN(C)C(=O)CC[NH+](C)C)c(C)s1 ZINC001714752665 1179376387 /nfs/dbraw/zinc/37/63/87/1179376387.db2.gz PLHXCIQVZZRDNT-UHFFFAOYSA-N 2 0 297.468 1.865 10 0 CDAERP C[C@@H](CC[NH2+]CCF)NC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001715688016 1179764768 /nfs/dbraw/zinc/76/47/68/1179764768.db2.gz JVOMRLHXVGCSAY-QWRGUYRKSA-N 2 0 270.352 1.042 10 0 CDAERP CCCC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001715725806 1179780191 /nfs/dbraw/zinc/78/01/91/1179780191.db2.gz DVYANRSNSBGJHQ-ZIAGYGMSSA-N 2 0 269.433 1.469 10 0 CDAERP CC[C@@H](C)C[NH2+]CCN(CC)C(=O)C1([NH+](C)C)CCC1 ZINC001715738832 1179786000 /nfs/dbraw/zinc/78/60/00/1179786000.db2.gz ZNMIUDQEOVOLRY-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001716368096 1180170854 /nfs/dbraw/zinc/17/08/54/1180170854.db2.gz NVRGJYAHAQXJSR-JBZXTQMFSA-N 2 0 281.444 1.777 10 0 CDAERP CC[C@H](C)C[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001716375268 1180172763 /nfs/dbraw/zinc/17/27/63/1180172763.db2.gz DYYNQYYIWDQZSS-BEVHLOIGSA-N 2 0 267.417 1.246 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001716419577 1180196484 /nfs/dbraw/zinc/19/64/84/1180196484.db2.gz JWBBIUVNLLBUBM-OLZOCXBDSA-N 2 0 255.406 1.079 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCOC ZINC001716791039 1180416377 /nfs/dbraw/zinc/41/63/77/1180416377.db2.gz WALSRRDVSJOBOP-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CCCC[C@H](C[NH2+]CC)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001717532349 1180724658 /nfs/dbraw/zinc/72/46/58/1180724658.db2.gz FEYQOUHFWWZTDI-UONOGXRCSA-N 2 0 269.433 1.613 10 0 CDAERP CCC[N@H+]1CC=C(CNC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001718028876 1180977875 /nfs/dbraw/zinc/97/78/75/1180977875.db2.gz VOEJXDCIRMVHQS-AWEZNQCLSA-N 2 0 279.428 1.487 10 0 CDAERP CCCCC[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001723023478 1181510247 /nfs/dbraw/zinc/51/02/47/1181510247.db2.gz SNGWRGNSWFMQRY-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP CC[NH2+]CCCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001723051709 1181513429 /nfs/dbraw/zinc/51/34/29/1181513429.db2.gz GVSARFLDHOOREM-UHFFFAOYSA-N 2 0 267.417 1.320 10 0 CDAERP CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1CC ZINC001723388243 1181546367 /nfs/dbraw/zinc/54/63/67/1181546367.db2.gz CEPLFYWQQLLBAD-UONOGXRCSA-N 2 0 269.433 1.563 10 0 CDAERP CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001724709903 1181731839 /nfs/dbraw/zinc/73/18/39/1181731839.db2.gz GOKJCWUXKWJNTG-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP CC/C=C/CC[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001725062348 1181839676 /nfs/dbraw/zinc/83/96/76/1181839676.db2.gz JKIMTWWLRWAQTL-MKHQPZQGSA-N 2 0 293.455 1.921 10 0 CDAERP CC[NH2+][C@@H](C)[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001725128816 1181876562 /nfs/dbraw/zinc/87/65/62/1181876562.db2.gz NATOPWPULVLAAF-STQMWFEESA-N 2 0 255.406 1.365 10 0 CDAERP C[C@H](CCC[NH2+]CC1CCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001725418777 1181994492 /nfs/dbraw/zinc/99/44/92/1181994492.db2.gz RHBUWPZLLQVARJ-UKRRQHHQSA-N 2 0 281.444 1.613 10 0 CDAERP CCOCC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C ZINC001725675838 1182094502 /nfs/dbraw/zinc/09/45/02/1182094502.db2.gz MQEDCUMRPPNKPV-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)CC)CC[N@@H+]1C ZINC001731241790 1182271368 /nfs/dbraw/zinc/27/13/68/1182271368.db2.gz KGWUMWQECZNLGZ-QWHCGFSZSA-N 2 0 255.406 1.175 10 0 CDAERP CCC[N@H+](CC)CCCNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001731322434 1182317417 /nfs/dbraw/zinc/31/74/17/1182317417.db2.gz PFVIJFDNPLJECX-INIZCTEOSA-N 2 0 281.444 1.711 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001731458805 1182398327 /nfs/dbraw/zinc/39/83/27/1182398327.db2.gz BGYINLWRECKFIQ-MGPQQGTHSA-N 2 0 267.417 1.221 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H](C[NH2+]CCCF)C2)C1 ZINC001731530262 1182437334 /nfs/dbraw/zinc/43/73/34/1182437334.db2.gz OMULTGSZVWNPSW-UONOGXRCSA-N 2 0 285.407 1.126 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@H](C[NH2+]CCCF)C2)C1 ZINC001731532075 1182437359 /nfs/dbraw/zinc/43/73/59/1182437359.db2.gz SFHZSXBUPWULJU-LSDHHAIUSA-N 2 0 299.434 1.516 10 0 CDAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC1=CCCCC1 ZINC001731618067 1182482231 /nfs/dbraw/zinc/48/22/31/1182482231.db2.gz NNIIMWBQSKDKKV-GJZGRUSLSA-N 2 0 293.455 1.923 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CCCF ZINC001731724588 1182534602 /nfs/dbraw/zinc/53/46/02/1182534602.db2.gz ATAAMKVGBAOLIX-ZIAGYGMSSA-N 2 0 287.423 1.703 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001731753665 1182551437 /nfs/dbraw/zinc/55/14/37/1182551437.db2.gz FSMNTAYBIQOUJO-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H](F)CC[NH2+]CCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001731923202 1182680217 /nfs/dbraw/zinc/68/02/17/1182680217.db2.gz UYWINAFFZDCZQW-AWEZNQCLSA-N 2 0 299.434 1.659 10 0 CDAERP CC/C=C\CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001732336013 1182910993 /nfs/dbraw/zinc/91/09/93/1182910993.db2.gz BXPXJOADWQHDKJ-LUNKNMTDSA-N 2 0 281.444 1.779 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001732370253 1182931760 /nfs/dbraw/zinc/93/17/60/1182931760.db2.gz PPSNLJXLXDSVBU-KGLIPLIRSA-N 2 0 269.433 1.326 10 0 CDAERP COCCC[NH2+]C[C@H](C)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001732443077 1182968547 /nfs/dbraw/zinc/96/85/47/1182968547.db2.gz PNRHETRAVGLOLY-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP CCCC[NH2+]C/C=C/CNC(=O)CC1CC[NH+](C)CC1 ZINC001732909257 1183180812 /nfs/dbraw/zinc/18/08/12/1183180812.db2.gz SRMPQTLEQMBOED-AATRIKPKSA-N 2 0 281.444 1.780 10 0 CDAERP CC[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001732909061 1183180958 /nfs/dbraw/zinc/18/09/58/1183180958.db2.gz QSCZPFLBZAOZRL-PSKZRQQASA-N 2 0 267.417 1.531 10 0 CDAERP CCC[NH2+]C[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001732975303 1183213405 /nfs/dbraw/zinc/21/34/05/1183213405.db2.gz YROODJBWVLANLE-KGLIPLIRSA-N 2 0 269.433 1.755 10 0 CDAERP CC[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001733265235 1183377255 /nfs/dbraw/zinc/37/72/55/1183377255.db2.gz PQTASTNNUPVXTP-ZDUSSCGKSA-N 2 0 267.417 1.365 10 0 CDAERP CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CCCC1 ZINC001733377647 1183413319 /nfs/dbraw/zinc/41/33/19/1183413319.db2.gz PCAFILHJYHPDBE-CABCVRRESA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CC[C@](C)(C[NH2+]CCCF)C2)CC[N@@H+]1C ZINC001733423985 1183428950 /nfs/dbraw/zinc/42/89/50/1183428950.db2.gz ASXRLXCSMHBBNI-IIAWOOMASA-N 2 0 299.434 1.514 10 0 CDAERP CC(C)[NH2+]CC1CC(NC(=O)CCCC[NH+](C)C)C1 ZINC001733956375 1183583988 /nfs/dbraw/zinc/58/39/88/1183583988.db2.gz DYYLLJTVOWJJMV-UHFFFAOYSA-N 2 0 269.433 1.611 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC([NH+](C)CCOCC)CC1 ZINC001734273876 1183710028 /nfs/dbraw/zinc/71/00/28/1183710028.db2.gz BELZYNRJJFAFPA-UHFFFAOYSA-N 2 0 299.459 1.288 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001734341693 1183740043 /nfs/dbraw/zinc/74/00/43/1183740043.db2.gz QSPHZTPDAQGPGH-CQSZACIVSA-N 2 0 281.444 1.731 10 0 CDAERP COCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001734406496 1183765860 /nfs/dbraw/zinc/76/58/60/1183765860.db2.gz JIECPOFHHNBXFT-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C[NH2+]CCF)C1 ZINC001734482719 1183781848 /nfs/dbraw/zinc/78/18/48/1183781848.db2.gz OPRVLJKWEDWVQB-CHWSQXEVSA-N 2 0 273.396 1.172 10 0 CDAERP [NH3+]CC1(CCNC(=O)N2CCCC3(CC[NH2+]CC3)C2)CC1 ZINC001771762284 1186864213 /nfs/dbraw/zinc/86/42/13/1186864213.db2.gz SNPIVDOFEKWBMW-UHFFFAOYSA-N 2 0 294.443 1.291 10 0 CDAERP CCN(C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C)[C@H]1CC[N@H+](C)C1 ZINC001771786350 1186871463 /nfs/dbraw/zinc/87/14/63/1186871463.db2.gz XMDGVWDJRUAWAK-ZNMIVQPWSA-N 2 0 296.459 1.595 10 0 CDAERP Cc1cnc(C[NH2+]CCCN2CC[NH+](C)CC2)s1 ZINC000394719343 1187290467 /nfs/dbraw/zinc/29/04/67/1187290467.db2.gz DDNZGSASLJZTJB-UHFFFAOYSA-N 2 0 268.430 1.179 10 0 CDAERP C[N@H+](CCC[NH2+]C[C@@H](O)CC(C)(C)O)C1CCCCC1 ZINC000871971206 1165366732 /nfs/dbraw/zinc/36/67/32/1165366732.db2.gz KAWSKEDZTIMRMF-HNNXBMFYSA-N 2 0 286.460 1.753 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)C(C)(C)CC2)C1 ZINC001630837131 1166235668 /nfs/dbraw/zinc/23/56/68/1166235668.db2.gz ZEYQYUHSLNWQRA-CYBMUJFWSA-N 2 0 267.417 1.271 10 0 CDAERP C[C@@H](CC[NH2+]Cc1ccon1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001320528124 1167461442 /nfs/dbraw/zinc/46/14/42/1167461442.db2.gz FYJYEJVVRWUHFZ-LBPRGKRZSA-N 2 0 294.399 1.001 10 0 CDAERP CC[C@H](C(=O)N(C)CC[NH2+]CCC1CCOCC1)[NH+](C)C ZINC001567591109 1168064603 /nfs/dbraw/zinc/06/46/03/1168064603.db2.gz WTYBILUGVBDFJN-OAHLLOKOSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC1=CCCCC1 ZINC001567079143 1168551775 /nfs/dbraw/zinc/55/17/75/1168551775.db2.gz PADOETYGEOLPGX-HIFRSBDPSA-N 2 0 279.428 1.533 10 0 CDAERP CCCCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001266328342 894408316 /nfs/dbraw/zinc/40/83/16/894408316.db2.gz ZNBWBSFABFWPMB-HNNXBMFYSA-N 2 0 293.455 1.996 10 0 CDAERP CCCCC[N@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001266347771 894486818 /nfs/dbraw/zinc/48/68/18/894486818.db2.gz QQPHFFUCYNDBDH-CQSZACIVSA-N 2 0 269.433 1.566 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1CC[N@H+](CCCOC(C)C)C1)[NH+](C)C ZINC001266353416 894520760 /nfs/dbraw/zinc/52/07/60/894520760.db2.gz VFCXVPJDIDDKRC-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)[NH2+][C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001266599246 895505114 /nfs/dbraw/zinc/50/51/14/895505114.db2.gz DFNFWVUNJJOEDB-IHRRRGAJSA-N 2 0 267.417 1.506 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH2+]CCCF)C1 ZINC001266965178 896458110 /nfs/dbraw/zinc/45/81/10/896458110.db2.gz RGMPVYLKTMABKD-ZIAGYGMSSA-N 2 0 287.423 1.562 10 0 CDAERP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC1CCC1 ZINC001266985075 896498312 /nfs/dbraw/zinc/49/83/12/896498312.db2.gz GNFUTEREQWDAND-GXTWGEPZSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)[C@H](C(=O)N(C)CC[NH2+]CC1CC1)[NH+]1CCCCC1 ZINC001267117724 896839346 /nfs/dbraw/zinc/83/93/46/896839346.db2.gz VSDXNZCAEWJTDU-MRXNPFEDSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)=CC[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001267372508 897747562 /nfs/dbraw/zinc/74/75/62/897747562.db2.gz SNCFEUHMUMZRQD-OAHLLOKOSA-N 2 0 281.444 1.873 10 0 CDAERP CC[C@@H](C)C[NH2+]CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001267423292 897882801 /nfs/dbraw/zinc/88/28/01/897882801.db2.gz ZMFJMTPLDFNPDC-CYBMUJFWSA-N 2 0 269.433 1.422 10 0 CDAERP CCCCC[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001480947150 898069114 /nfs/dbraw/zinc/06/91/14/898069114.db2.gz KHTGFCTWBLIOIK-ZDUSSCGKSA-N 2 0 255.406 1.176 10 0 CDAERP CC(C)[N@H+](CCF)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001267499082 898166422 /nfs/dbraw/zinc/16/64/22/898166422.db2.gz IZHVLPWVHBATIM-ZDUSSCGKSA-N 2 0 273.396 1.267 10 0 CDAERP CC[N@@H+](CC=C(C)C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001481016628 898502810 /nfs/dbraw/zinc/50/28/10/898502810.db2.gz OUCBOAWDVMIOBQ-CQSZACIVSA-N 2 0 267.417 1.342 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CC[NH2+]CC2CCC2)C1 ZINC001481270364 899777834 /nfs/dbraw/zinc/77/78/34/899777834.db2.gz XROTXWFHFADVMY-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP CCOCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001481527432 901077503 /nfs/dbraw/zinc/07/75/03/901077503.db2.gz FHUSGQGPKVHNFQ-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CCOCC[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001268076132 901105402 /nfs/dbraw/zinc/10/54/02/901105402.db2.gz ANFVEYHYNNVMRA-CQSZACIVSA-N 2 0 299.459 1.334 10 0 CDAERP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CCCCCF)C1)[NH+](C)C ZINC001481706190 901863280 /nfs/dbraw/zinc/86/32/80/901863280.db2.gz BXYGNIFSKXQVFL-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H](NC(=O)Cn2ccnc2C)C1 ZINC001481709367 901875310 /nfs/dbraw/zinc/87/53/10/901875310.db2.gz VBPMYTLQLLAAQY-CQSZACIVSA-N 2 0 278.400 1.572 10 0 CDAERP C[C@@H](CC[NH2+]Cc1cccc(F)c1)NC(=O)CC[NH+](C)C ZINC001268398158 901992799 /nfs/dbraw/zinc/99/27/99/901992799.db2.gz WEVUSSVVFXCBAD-ZDUSSCGKSA-N 2 0 295.402 1.762 10 0 CDAERP CC[C@@H](C(=O)N(CC)CC[NH2+]Cc1cncs1)[NH+](C)C ZINC001268477795 902282777 /nfs/dbraw/zinc/28/27/77/902282777.db2.gz UHKSLZNUKSFDAY-ZDUSSCGKSA-N 2 0 298.456 1.421 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC001361665079 902442856 /nfs/dbraw/zinc/44/28/56/902442856.db2.gz BEKIMOLDKNOFHA-ZDUSSCGKSA-N 2 0 283.460 1.953 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC(CC[NH2+]CCC2CC2)CC1 ZINC001482003216 902459770 /nfs/dbraw/zinc/45/97/70/902459770.db2.gz CVMHXUPYYNWWBI-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CCCCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001482084591 902622284 /nfs/dbraw/zinc/62/22/84/902622284.db2.gz JPKCPGPZSRLPOO-KBPBESRZSA-N 2 0 269.433 1.613 10 0 CDAERP CC(C)OCC[NH2+]C/C=C\CNC(=O)C1CC[NH+](C)CC1 ZINC001268586550 902687085 /nfs/dbraw/zinc/68/70/85/902687085.db2.gz DZYKXUIIKHVDSX-PLNGDYQASA-N 2 0 297.443 1.015 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C[NH2+]CCF ZINC001482134259 902689990 /nfs/dbraw/zinc/68/99/90/902689990.db2.gz AIJXOUMBACHYAB-AVGNSLFASA-N 2 0 273.396 1.028 10 0 CDAERP CCC/C=C\CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268659652 902913979 /nfs/dbraw/zinc/91/39/79/902913979.db2.gz YQHVYKDQLAYQTO-YOVCOIKASA-N 2 0 281.444 1.921 10 0 CDAERP COCCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001268742822 903064807 /nfs/dbraw/zinc/06/48/07/903064807.db2.gz IGRKNLLXSNUHGQ-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP CC[N@@H+]1CCC[C@H](CNC(=O)C2([NH+](C)C)CCCC2)C1 ZINC001362166697 903278028 /nfs/dbraw/zinc/27/80/28/903278028.db2.gz HUXOHDCIZOWSBG-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)C[NH2+]C1(CNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001269544523 903913510 /nfs/dbraw/zinc/91/35/10/903913510.db2.gz JCWDPOYTTIWVIP-UHFFFAOYSA-N 2 0 255.406 1.221 10 0 CDAERP CC[NH2+]CC[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001269746656 904080741 /nfs/dbraw/zinc/08/07/41/904080741.db2.gz HIUAAAIEXPHVBD-HNNXBMFYSA-N 2 0 293.455 1.853 10 0 CDAERP C[C@H]1C[C@H]([NH2+]CC2CC2)CCN1C(=O)CC[NH+](C)C ZINC001269960911 904236457 /nfs/dbraw/zinc/23/64/57/904236457.db2.gz SPWDVDODLWUKQZ-GXTWGEPZSA-N 2 0 267.417 1.317 10 0 CDAERP CC[NH2+]C[C@@H]1CCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001270193097 904430860 /nfs/dbraw/zinc/43/08/60/904430860.db2.gz GLIXHNZQTYHQEQ-HNNXBMFYSA-N 2 0 281.444 1.853 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CCC2CC2)C1 ZINC001270698800 904955843 /nfs/dbraw/zinc/95/58/43/904955843.db2.gz XMTHBNMSQRNACM-DOTOQJQBSA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)OCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001482318534 904974883 /nfs/dbraw/zinc/97/48/83/904974883.db2.gz HCQBOYCMKCQWKW-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP CN(CC[N@H+](C)CC1CC(C)(C)C1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001482649009 908115668 /nfs/dbraw/zinc/11/56/68/908115668.db2.gz FSWAKFFAKNCLSO-OAHLLOKOSA-N 2 0 295.471 1.765 10 0 CDAERP CCC[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001272093442 908227157 /nfs/dbraw/zinc/22/71/57/908227157.db2.gz QLQSPBPBCTXNRR-KBPBESRZSA-N 2 0 269.433 1.517 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(CC)CC[NH2+]C[C@H](C)OC)CC[N@@H+]1C ZINC001482925164 908495703 /nfs/dbraw/zinc/49/57/03/908495703.db2.gz MAGKDUFNNWNAEF-SOUVJXGZSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)[NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001483042193 908807854 /nfs/dbraw/zinc/80/78/54/908807854.db2.gz GJFIVEQZNDZLGP-AATRIKPKSA-N 2 0 267.417 1.531 10 0 CDAERP CN(CCC[NH2+]CCC(C)(C)C)C(=O)CC[NH+](C)C ZINC001483489720 911187794 /nfs/dbraw/zinc/18/77/94/911187794.db2.gz JBFWPMWSIPJSAI-UHFFFAOYSA-N 2 0 271.449 1.812 10 0 CDAERP CCC[NH2+]CCC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001568097151 1169134349 /nfs/dbraw/zinc/13/43/49/1169134349.db2.gz YADQQGBQFXSGRC-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000223936925 911493630 /nfs/dbraw/zinc/49/36/30/911493630.db2.gz UZNPCQAVNVUOTI-QLFBSQMISA-N 2 0 251.418 1.402 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@@H]2CCCC[C@@H]2C2CC2)CC1 ZINC000695970597 911571157 /nfs/dbraw/zinc/57/11/57/911571157.db2.gz ULNCCVNWXGUACQ-HZPDHXFCSA-N 2 0 265.445 1.968 10 0 CDAERP CC(C)[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001484530196 915858728 /nfs/dbraw/zinc/85/87/28/915858728.db2.gz ATYFXGVDDGPPFT-GJZGRUSLSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)OCC[NH2+]C[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001568191373 1169169122 /nfs/dbraw/zinc/16/91/22/1169169122.db2.gz ZQBQVTCYTOFBPD-CQSZACIVSA-N 2 0 299.459 1.095 10 0 CDAERP Cc1cncc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CC[NH+](C)C)c1 ZINC001485190710 916651898 /nfs/dbraw/zinc/65/18/98/916651898.db2.gz RDZWNTWKKQBFLL-KBPBESRZSA-N 2 0 292.427 1.325 10 0 CDAERP CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001485207285 916671079 /nfs/dbraw/zinc/67/10/79/916671079.db2.gz LRGDRQALKXMTAH-UONOGXRCSA-N 2 0 283.460 2.000 10 0 CDAERP CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001485356249 916899894 /nfs/dbraw/zinc/89/98/94/916899894.db2.gz BITZHRPVGWCXOM-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP CCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001272822625 919755084 /nfs/dbraw/zinc/75/50/84/919755084.db2.gz GTCHWNMSLPAHTH-ZIAGYGMSSA-N 2 0 269.433 1.755 10 0 CDAERP C[N@H+](CCCN1CC[NH+](C)CC1)C1CC(OC(C)(C)C)C1 ZINC000450632500 920221990 /nfs/dbraw/zinc/22/19/90/920221990.db2.gz PFZCEIRCCCLZHD-UHFFFAOYSA-N 2 0 297.487 1.902 10 0 CDAERP C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1C[NH+](CCCF)C1 ZINC001409948603 920485150 /nfs/dbraw/zinc/48/51/50/920485150.db2.gz SBVRWDGYRGAVBQ-QWHCGFSZSA-N 2 0 285.407 1.124 10 0 CDAERP CC(C)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001485873371 920534984 /nfs/dbraw/zinc/53/49/84/920534984.db2.gz MMWKFJDZPWTHNB-HUUCEWRRSA-N 2 0 283.460 1.952 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CCC2CC2)CC[N@@H+]1C ZINC001485877367 920544059 /nfs/dbraw/zinc/54/40/59/920544059.db2.gz LWYGYNPDXKCGPB-CWRNSKLLSA-N 2 0 295.471 1.953 10 0 CDAERP CN(C(=O)CCC[NH+](C)C)C1CC([NH2+]CCCF)C1 ZINC001486475358 921053112 /nfs/dbraw/zinc/05/31/12/921053112.db2.gz KMVBAHMQJMOPKD-UHFFFAOYSA-N 2 0 273.396 1.267 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@H]([NH2+]C[C@@H](F)CC)C1)[NH+](C)C ZINC001494229762 923346130 /nfs/dbraw/zinc/34/61/30/923346130.db2.gz BEEZRKVAWYIBSI-MELADBBJSA-N 2 0 287.423 1.655 10 0 CDAERP CC[C@@H](F)C[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001491480676 936922226 /nfs/dbraw/zinc/92/22/26/936922226.db2.gz LMCNRDFXULOONC-NWDGAFQWSA-N 2 0 273.396 1.313 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCCC[C@@H]2CC[NH2+]CCF)C1 ZINC001568397248 1169271768 /nfs/dbraw/zinc/27/17/68/1169271768.db2.gz WCQJYBDPTGUZAT-LSDHHAIUSA-N 2 0 299.434 1.659 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@H]2C[C@H](C[NH2+]CC3CC3)C2)CCC1 ZINC001410241019 925441452 /nfs/dbraw/zinc/44/14/52/925441452.db2.gz PPDNKYUEAYFBBP-HDJSIYSDSA-N 2 0 279.428 1.365 10 0 CDAERP CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001488659818 926653501 /nfs/dbraw/zinc/65/35/01/926653501.db2.gz BTUVWLJAOBVEBY-LSDHHAIUSA-N 2 0 281.444 1.661 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCN2C/C=C\Cl)C1 ZINC001493137649 926750637 /nfs/dbraw/zinc/75/06/37/926750637.db2.gz KAMAKRKOIAOUNK-UZBOCLDFSA-N 2 0 299.846 1.661 10 0 CDAERP CC(C)N(CC[N@H+](C)CC1CC1)C(=O)C1(C[NH+](C)C)CC1 ZINC001411195189 927211334 /nfs/dbraw/zinc/21/13/34/927211334.db2.gz GDVYJVVPKLLXSI-UHFFFAOYSA-N 2 0 295.471 1.907 10 0 CDAERP CCOCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]1C ZINC001274662727 931533211 /nfs/dbraw/zinc/53/32/11/931533211.db2.gz LFWRBBUGGMBZNQ-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP CC[C@H](C)C[NH2+]CCN(CC)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001320892071 931559599 /nfs/dbraw/zinc/55/95/99/931559599.db2.gz YKVPSIJZYNHMHU-LSDHHAIUSA-N 2 0 283.460 1.812 10 0 CDAERP CC(C)COCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001274760895 931569165 /nfs/dbraw/zinc/56/91/65/931569165.db2.gz VISHJQQTAKWXFE-RBSFLKMASA-N 2 0 299.459 1.094 10 0 CDAERP C[C@H](C[NH2+]CCc1ccccc1)NC(=O)C[NH+]1CCCC1 ZINC001275023483 931635507 /nfs/dbraw/zinc/63/55/07/931635507.db2.gz VYLTVKCBBUKYQV-OAHLLOKOSA-N 2 0 289.423 1.419 10 0 CDAERP Cc1ncoc1C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001275914722 932127435 /nfs/dbraw/zinc/12/74/35/932127435.db2.gz BIXGNWSNQGGOKH-CYBMUJFWSA-N 2 0 294.399 1.015 10 0 CDAERP CCOC(=O)[C@@H](C)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000691898558 933133300 /nfs/dbraw/zinc/13/33/00/933133300.db2.gz LPTOFPQASGSWNH-CYBMUJFWSA-N 2 0 268.401 1.746 10 0 CDAERP C[NH+]1CCC2(CCN(C(=O)CCCCC[NH3+])CC2)CC1 ZINC000691935773 933444793 /nfs/dbraw/zinc/44/47/93/933444793.db2.gz WOAWCLWFTLFVHA-UHFFFAOYSA-N 2 0 281.444 1.840 10 0 CDAERP Cc1cncc(C[NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)C2)c1 ZINC001490841566 934363670 /nfs/dbraw/zinc/36/36/70/934363670.db2.gz XBEHDVKODFZTQF-HNNXBMFYSA-N 2 0 290.411 1.032 10 0 CDAERP COCc1cc([C@H](C)[NH2+]CCC[NH3+])ccc1OC ZINC000037713623 934775772 /nfs/dbraw/zinc/77/57/72/934775772.db2.gz NTAWPRQHBJVJPY-NSHDSACASA-N 2 0 252.358 1.841 10 0 CDAERP CC(C)CC[NH2+]CCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001276333455 935016546 /nfs/dbraw/zinc/01/65/46/935016546.db2.gz SSMBKNTWUBYOKA-HNNXBMFYSA-N 2 0 283.460 1.812 10 0 CDAERP CC(C)C[N@H+](CCNC(=O)C1CC1)CC1CC[NH+](C)CC1 ZINC001413043980 935198265 /nfs/dbraw/zinc/19/82/65/935198265.db2.gz CPRCBJYLTPFICM-UHFFFAOYSA-N 2 0 295.471 1.812 10 0 CDAERP C[C@H](CC[NH2+]CCCF)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001568632975 1169409283 /nfs/dbraw/zinc/40/92/83/1169409283.db2.gz USNTWXLFEBNDQC-TZMCWYRMSA-N 2 0 285.407 1.172 10 0 CDAERP CC(C)(C)[NH2+]CC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC001413488328 936097073 /nfs/dbraw/zinc/09/70/73/936097073.db2.gz HGJOIXALYGXKCC-AWEZNQCLSA-N 2 0 297.443 1.134 10 0 CDAERP C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH2+]CC1 ZINC000400654358 940853797 /nfs/dbraw/zinc/85/37/97/940853797.db2.gz QNUDOLFDOSRAKB-GFCCVEGCSA-N 2 0 296.436 1.568 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+][C@H](CO)Cc2ccccc2)C12CCC2 ZINC000405245747 940975620 /nfs/dbraw/zinc/97/56/20/940975620.db2.gz ZUUFTLNEHCCVDM-ZNMIVQPWSA-N 2 0 260.381 1.450 10 0 CDAERP CCN(CC[NH2+]CC1CC1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001568754062 1169462761 /nfs/dbraw/zinc/46/27/61/1169462761.db2.gz MWRIGDYTLNCCGT-AWEZNQCLSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001277356401 942418610 /nfs/dbraw/zinc/41/86/10/942418610.db2.gz RMCZGUGGPFRWQX-ZIAGYGMSSA-N 2 0 269.433 1.469 10 0 CDAERP C[C@H]1CN(C(=O)Cc2cnc[nH]2)C[C@@H]1[NH2+]CCCCCF ZINC001281450746 942475215 /nfs/dbraw/zinc/47/52/15/942475215.db2.gz OQVYTFLRGNKUKE-JSGCOSHPSA-N 2 0 296.390 1.529 10 0 CDAERP C[NH+](C)C1(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CCCC1 ZINC001362125611 970916972 /nfs/dbraw/zinc/91/69/72/970916972.db2.gz CWHRYLHQLPWGIO-OAHLLOKOSA-N 2 0 293.455 1.805 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)CC[N@@H+]1C ZINC001362126779 970919276 /nfs/dbraw/zinc/91/92/76/970919276.db2.gz PAMSNRVUCSULRN-XQLPTFJDSA-N 2 0 281.444 1.706 10 0 CDAERP CC(C)C[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001281990807 942641596 /nfs/dbraw/zinc/64/15/96/942641596.db2.gz OQRPHGHTIUADJH-JXQTWKCFSA-N 2 0 267.417 1.221 10 0 CDAERP CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001283676544 942964228 /nfs/dbraw/zinc/96/42/28/942964228.db2.gz BBDOQUIFQFZVAV-KBPBESRZSA-N 2 0 269.433 1.706 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CC2CC2)CN1C(=O)CCCC[NH+](C)C ZINC001284027457 943052912 /nfs/dbraw/zinc/05/29/12/943052912.db2.gz VMLUJGSCJMUOOR-UKRRQHHQSA-N 2 0 281.444 1.707 10 0 CDAERP CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@@H]21 ZINC001284101689 943076548 /nfs/dbraw/zinc/07/65/48/943076548.db2.gz KPPCHTZQJFLFBG-OWCLPIDISA-N 2 0 295.471 1.955 10 0 CDAERP CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001277719178 943404955 /nfs/dbraw/zinc/40/49/55/943404955.db2.gz ZCTIKZLCKWYPNT-OLZOCXBDSA-N 2 0 255.406 1.173 10 0 CDAERP CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H](C)C1 ZINC001277784932 943584917 /nfs/dbraw/zinc/58/49/17/943584917.db2.gz BZFFSGBXBCFNQD-UONOGXRCSA-N 2 0 269.433 1.706 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C(C)C ZINC001265129511 944241595 /nfs/dbraw/zinc/24/15/95/944241595.db2.gz MYGXBYJCXCTPPH-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CCCC[NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001265378318 944364871 /nfs/dbraw/zinc/36/48/71/944364871.db2.gz JMDUNOCWOHYWFJ-CQSZACIVSA-N 2 0 279.428 1.367 10 0 CDAERP C[NH+](C)CC[C@H]1CCN(C(=O)C[NH2+]C(C)(C)C)C1 ZINC000701421430 944446285 /nfs/dbraw/zinc/44/62/85/944446285.db2.gz GQRRILMTLIZNIY-LBPRGKRZSA-N 2 0 255.406 1.175 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H](C[NH2+]CCF)C2)C1 ZINC001266009728 944627934 /nfs/dbraw/zinc/62/79/34/944627934.db2.gz XXHPASPWJXKATA-HUUCEWRRSA-N 2 0 299.434 1.516 10 0 CDAERP CC[NH+](CC)CCCNC(=O)Cc1[nH]cnc1C ZINC001266106469 944682573 /nfs/dbraw/zinc/68/25/73/944682573.db2.gz SPFRDJPWQDPANJ-UHFFFAOYSA-N 2 0 252.362 1.109 10 0 CDAERP CCC[N@H+](CC)CCCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001479845736 971450397 /nfs/dbraw/zinc/45/03/97/971450397.db2.gz NEMDFBPTMNFDMN-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1[NH+](CC)CC2 ZINC001278466266 948441796 /nfs/dbraw/zinc/44/17/96/948441796.db2.gz HIUAUSLOVIZBFJ-HIFRSBDPSA-N 2 0 267.417 1.461 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001480211697 971629865 /nfs/dbraw/zinc/62/98/65/971629865.db2.gz VUXJJSPZEMFSEA-ZNMIVQPWSA-N 2 0 281.444 1.898 10 0 CDAERP C[C@H](C(=O)N1CC[C@H]([NH2+]CCCF)C1)[NH+]1CCCCCC1 ZINC001480620880 971812692 /nfs/dbraw/zinc/81/26/92/971812692.db2.gz APMJCJSGIPCQLQ-CABCVRRESA-N 2 0 299.434 1.801 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NCCC[C@H]2CCC[NH+]2CC2CC2)C1 ZINC001480832841 971897686 /nfs/dbraw/zinc/89/76/86/971897686.db2.gz IADWUWPICLBWJT-HOTGVXAUSA-N 2 0 293.455 1.709 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N[C@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC001363492121 953378369 /nfs/dbraw/zinc/37/83/69/953378369.db2.gz WJZKXTKSGPPRJT-RDBSUJKOSA-N 2 0 281.444 1.563 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC001291556836 954100203 /nfs/dbraw/zinc/10/02/03/954100203.db2.gz CLJDWQZTPXUVTG-RDBSUJKOSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC001291556835 954100650 /nfs/dbraw/zinc/10/06/50/954100650.db2.gz CLJDWQZTPXUVTG-MGPQQGTHSA-N 2 0 267.417 1.317 10 0 CDAERP C[NH2+][C@H](C)CCNC(=O)C[C@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC001326001910 954178836 /nfs/dbraw/zinc/17/88/36/954178836.db2.gz RYPLVJYAXNBVAN-SKDRFNHKSA-N 2 0 298.818 1.548 10 0 CDAERP CCC[NH+]1CCC([N@H+](C)C[C@@H](C)CN2CCOCC2)CC1 ZINC001364330617 954471058 /nfs/dbraw/zinc/47/10/58/954471058.db2.gz MYGMIKGZXPKUDI-MRXNPFEDSA-N 2 0 297.487 1.761 10 0 CDAERP c1cn2c(n1)[C@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)CC2 ZINC001364679832 955014324 /nfs/dbraw/zinc/01/43/24/955014324.db2.gz WVZYICWKCWLJJT-OAHLLOKOSA-N 2 0 283.379 1.982 10 0 CDAERP CCN1C[C@H](C)[N@H+](C[C@@H](C)CN2CCOCC2)C[C@@H]1C ZINC001364686165 955026954 /nfs/dbraw/zinc/02/69/54/955026954.db2.gz UBLQKUPJHDAHJI-JYJNAYRXSA-N 2 0 283.460 1.369 10 0 CDAERP CC(C)=CC[NH2+]CCN(C)C(=O)CCC[NH+](C)C ZINC001493674217 972091470 /nfs/dbraw/zinc/09/14/70/972091470.db2.gz CBZOMXLGZRLSIQ-UHFFFAOYSA-N 2 0 255.406 1.342 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001491805341 955406983 /nfs/dbraw/zinc/40/69/83/955406983.db2.gz SACOKHYQDOWYGN-ZBFHGGJFSA-N 2 0 293.455 1.422 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CC[C@H](C[NH2+]CCCF)C2)CC[N@@H+]1C ZINC001491829455 955456873 /nfs/dbraw/zinc/45/68/73/955456873.db2.gz LKPVSSQHGJGHQW-ZNMIVQPWSA-N 2 0 299.434 1.514 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)CC1 ZINC001421834297 955578204 /nfs/dbraw/zinc/57/82/04/955578204.db2.gz MRXPYUFNBSGJRC-OAHLLOKOSA-N 2 0 283.460 1.953 10 0 CDAERP CN(CC(C)(C)C[NH2+]CCF)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001329307537 955814835 /nfs/dbraw/zinc/81/48/35/955814835.db2.gz KKQLZBILTHJDPB-CYBMUJFWSA-N 2 0 287.423 1.514 10 0 CDAERP COC[C@H](C)[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001422242232 955882635 /nfs/dbraw/zinc/88/26/35/955882635.db2.gz HNNGIOXXGMNKAW-LSDHHAIUSA-N 2 0 297.443 1.040 10 0 CDAERP OC1(C[NH+]2CCC([NH2+]C3CCOCC3)CC2)CCCCC1 ZINC001365328781 955901129 /nfs/dbraw/zinc/90/11/29/955901129.db2.gz KBWPTLAEGXKXNY-UHFFFAOYSA-N 2 0 296.455 1.915 10 0 CDAERP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]CCc1cccs1 ZINC001422373962 955970924 /nfs/dbraw/zinc/97/09/24/955970924.db2.gz DXTBRCQRIOOXLT-STQMWFEESA-N 2 0 297.468 1.725 10 0 CDAERP CCCN(C(=O)Cn1cncc1C)[C@@H]1CC[N@H+](CC)C1 ZINC001493965585 972146429 /nfs/dbraw/zinc/14/64/29/972146429.db2.gz WNNAKDFFXIMLNY-CQSZACIVSA-N 2 0 278.400 1.524 10 0 CDAERP CCC[N@@H+]1CC[C@@H](NC(=O)N2CC[C@@H]([NH+](C)CC)C2)C1 ZINC001365655550 956270183 /nfs/dbraw/zinc/27/01/83/956270183.db2.gz RGEPDNYDWAWFQH-ZIAGYGMSSA-N 2 0 282.432 1.206 10 0 CDAERP CC[N@@H+](CC=C(C)C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001317481252 956674580 /nfs/dbraw/zinc/67/45/80/956674580.db2.gz DMOOMTJOIOAPSE-HNNXBMFYSA-N 2 0 281.444 1.875 10 0 CDAERP C[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)CCC1CC1 ZINC001316865750 956771795 /nfs/dbraw/zinc/77/17/95/956771795.db2.gz RVTHIVRYLSLDFD-AWEZNQCLSA-N 2 0 267.417 1.176 10 0 CDAERP C[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC1CCCC1 ZINC001366453138 956844410 /nfs/dbraw/zinc/84/44/10/956844410.db2.gz OXCGZSYAQSRSGL-ZFWWWQNUSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H](CCNC(=O)CC[NH+](C)C)[NH2+]CC=C(Cl)Cl ZINC001366488351 956867983 /nfs/dbraw/zinc/86/79/83/956867983.db2.gz NPDUCMYXVJDSGL-JTQLQIEISA-N 2 0 296.242 1.742 10 0 CDAERP CC[C@H](C)C[NH2+]C1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001423695217 956947334 /nfs/dbraw/zinc/94/73/34/956947334.db2.gz OPWKBIZGDRBPQX-JEYLPNPQSA-N 2 0 295.471 1.953 10 0 CDAERP C[NH+](C)CCC(=O)NCC[N@H+](C)[C@H]1CCc2ccccc21 ZINC001366560068 956961742 /nfs/dbraw/zinc/96/17/42/956961742.db2.gz VXHRBPTYWNMSAR-INIZCTEOSA-N 2 0 289.423 1.674 10 0 CDAERP CCCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001331439664 957061850 /nfs/dbraw/zinc/06/18/50/957061850.db2.gz OFMWRJFWYITVHW-UKRRQHHQSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CCCF)[NH+](C)C ZINC001331558390 957138621 /nfs/dbraw/zinc/13/86/21/957138621.db2.gz AKBBAZUIOLLXAP-NEPJUHHUSA-N 2 0 261.385 1.123 10 0 CDAERP O=C(C[NH+]1CCCC1)NCC[N@H+](CC1CCC1)C1CC1 ZINC001366757838 957168681 /nfs/dbraw/zinc/16/86/81/957168681.db2.gz CPYDCPDPTDQVLI-UHFFFAOYSA-N 2 0 279.428 1.463 10 0 CDAERP C[C@@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]C/C=C\Cl ZINC001424582893 957280841 /nfs/dbraw/zinc/28/08/41/957280841.db2.gz PKUAITUOQMNSMH-SDIVBXRLSA-N 2 0 287.835 1.708 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCCF)C1 ZINC001317128763 957293056 /nfs/dbraw/zinc/29/30/56/957293056.db2.gz RIRDGEVLFIGIOI-MJBXVCDLSA-N 2 0 285.407 1.457 10 0 CDAERP CCC[NH2+]C[C@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001317190659 957334517 /nfs/dbraw/zinc/33/45/17/957334517.db2.gz VYYURDFNTDTXHE-OAHLLOKOSA-N 2 0 293.455 1.996 10 0 CDAERP CCCCCC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001317228209 957357814 /nfs/dbraw/zinc/35/78/14/957357814.db2.gz GRMJARAPPBMAEC-ZIAGYGMSSA-N 2 0 269.433 1.755 10 0 CDAERP C[C@H](F)CC[N@H+](C)[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001424995084 957439461 /nfs/dbraw/zinc/43/94/61/957439461.db2.gz GVZWRDKJWDZLML-STQMWFEESA-N 2 0 287.423 1.513 10 0 CDAERP CCC[NH2+][C@H](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001317407774 957458713 /nfs/dbraw/zinc/45/87/13/957458713.db2.gz YOIVIIKHGGERTH-QWHCGFSZSA-N 2 0 255.406 1.223 10 0 CDAERP CC(C)[C@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCF)C[C@H]21)[NH+](C)C ZINC001425367320 957520568 /nfs/dbraw/zinc/52/05/68/957520568.db2.gz VXFNKFVAZDKWTE-APIJFGDWSA-N 2 0 299.434 1.226 10 0 CDAERP CCC[N@@H+](CC=C(C)C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001317547886 957543216 /nfs/dbraw/zinc/54/32/16/957543216.db2.gz QWRLTLRXQXKJMR-UHFFFAOYSA-N 2 0 293.455 1.877 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)CC[NH2+]CC[C@H]1CCCO1)[NH+](C)C ZINC001317598290 957590484 /nfs/dbraw/zinc/59/04/84/957590484.db2.gz MYAZWUWHSAESIV-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]Cc1cccnc1 ZINC001425682165 957599503 /nfs/dbraw/zinc/59/95/03/957599503.db2.gz LQZMZYQCYGAAND-CQSZACIVSA-N 2 0 290.411 1.114 10 0 CDAERP CN(CC[NH2+]Cc1ccc(F)cc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001317660219 957626966 /nfs/dbraw/zinc/62/69/66/957626966.db2.gz AYOOTCMMJMALQZ-CQSZACIVSA-N 2 0 293.386 1.325 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]C/C=C/Cl ZINC001367108512 957678276 /nfs/dbraw/zinc/67/82/76/957678276.db2.gz WZVIZQXCSGBKAK-DZTBXEGKSA-N 2 0 287.835 1.708 10 0 CDAERP CC[C@@H](F)C[NH2+]C1CC(N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001426208972 957840233 /nfs/dbraw/zinc/84/02/33/957840233.db2.gz PIPXEDLTZIGKIK-IYXRBSQSSA-N 2 0 299.434 1.798 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)[C@H](C)C[NH2+]Cc1ocnc1C ZINC001367392967 957988872 /nfs/dbraw/zinc/98/88/72/957988872.db2.gz FNRALGHQLOVRAN-GFCCVEGCSA-N 2 0 296.415 1.261 10 0 CDAERP CCOCCC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001318444944 958106750 /nfs/dbraw/zinc/10/67/50/958106750.db2.gz HPIXHPXEZJGJLU-OAHLLOKOSA-N 2 0 299.459 1.286 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCOC(C)C ZINC001318561183 958173800 /nfs/dbraw/zinc/17/38/00/958173800.db2.gz GKNFEPLOXUXSHL-CABCVRRESA-N 2 0 299.459 1.380 10 0 CDAERP CCC[NH2+][C@@H](CC)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001318594480 958190492 /nfs/dbraw/zinc/19/04/92/958190492.db2.gz IUORPLFNJKKOFC-OLZOCXBDSA-N 2 0 255.406 1.223 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@](C)(C[NH2+]CCCF)C1CC1 ZINC001318689212 958233156 /nfs/dbraw/zinc/23/31/56/958233156.db2.gz WQVPQTZNROGKIX-HIFRSBDPSA-N 2 0 285.407 1.315 10 0 CDAERP Cc1cccc(C[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C)c1 ZINC001367753998 958304958 /nfs/dbraw/zinc/30/49/58/958304958.db2.gz SQNCFNCLSCFQNG-AWEZNQCLSA-N 2 0 277.412 1.541 10 0 CDAERP CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001494987045 972363946 /nfs/dbraw/zinc/36/39/46/972363946.db2.gz UMRRIUSCJNPZCK-OLZOCXBDSA-N 2 0 255.406 1.364 10 0 CDAERP C[C@H](C[NH2+]CC1=CCCCC1)N(C)C(=O)Cc1cnc[nH]1 ZINC001319538215 958615216 /nfs/dbraw/zinc/61/52/16/958615216.db2.gz PTWOHXUGVZKTEA-CYBMUJFWSA-N 2 0 290.411 1.889 10 0 CDAERP COCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001319540803 958618878 /nfs/dbraw/zinc/61/88/78/958618878.db2.gz NPBSSWFQPKJALR-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP CN(C(=O)C1(C[NH+](C)C)CC1)C1C[NH+](CCC2CC2)C1 ZINC001368078080 958620930 /nfs/dbraw/zinc/62/09/30/958620930.db2.gz GACFTXXCQBKDIZ-UHFFFAOYSA-N 2 0 279.428 1.271 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)C(C)C ZINC001368127232 958652624 /nfs/dbraw/zinc/65/26/24/958652624.db2.gz ZQWWEEDOPGTGND-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CCCC[NH2+][C@H](CC)CNC(=O)C12CCC[NH+]1CCC2 ZINC001495012819 972373139 /nfs/dbraw/zinc/37/31/39/972373139.db2.gz HPCDYCRJXAEICO-CQSZACIVSA-N 2 0 281.444 1.899 10 0 CDAERP CC(C)C[NH+]1CCC2(CN(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001368427869 958838737 /nfs/dbraw/zinc/83/87/37/958838737.db2.gz QVGZBALIKVQAMR-UHFFFAOYSA-N 2 0 295.471 1.907 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001368507727 958909811 /nfs/dbraw/zinc/90/98/11/958909811.db2.gz AVSLAGPPVWFUTA-HUUCEWRRSA-N 2 0 281.444 1.851 10 0 CDAERP Cc1nocc1C[NH2+][C@H](C)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001368919912 959250835 /nfs/dbraw/zinc/25/08/35/959250835.db2.gz ZQYHVWMDQFCLBV-NEPJUHHUSA-N 2 0 294.399 1.062 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)[NH+](C)CC2CC2)C1 ZINC001368972789 959342510 /nfs/dbraw/zinc/34/25/10/959342510.db2.gz COPBGUUJEOJBON-GOEBONIOSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](C)C[NH2+]CCN(CC)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001320736773 959360383 /nfs/dbraw/zinc/36/03/83/959360383.db2.gz GJKRNEYVHRSFNI-GDBMZVCRSA-N 2 0 295.471 1.812 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C)C1C[NH+](CCC(C)C)C1)[NH+](C)C ZINC001369086971 959451862 /nfs/dbraw/zinc/45/18/62/959451862.db2.gz DVXVYDCXLCQLPY-ZFWWWQNUSA-N 2 0 283.460 1.809 10 0 CDAERP CC[C@H](C(=O)NCC[C@@H]([NH2+]C(C)C)C(C)C)[NH+](C)C ZINC001369202216 959527289 /nfs/dbraw/zinc/52/72/89/959527289.db2.gz YKKOJHKHDOCHEG-ZIAGYGMSSA-N 2 0 271.449 1.856 10 0 CDAERP C[C@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CC1CC1 ZINC001369273609 959597701 /nfs/dbraw/zinc/59/77/01/959597701.db2.gz OKXBQRMECQGQTB-CYBMUJFWSA-N 2 0 281.444 1.707 10 0 CDAERP CCC(CC)C[NH2+]CCCN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001322452648 960227323 /nfs/dbraw/zinc/22/73/23/960227323.db2.gz QLSHBDYIEZEOEG-OAHLLOKOSA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@H](C)C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001322648567 960287501 /nfs/dbraw/zinc/28/75/01/960287501.db2.gz OKRFVYYQFFAAJZ-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]C/C=C\Cl)C2CC2)C1 ZINC001323109418 960460058 /nfs/dbraw/zinc/46/00/58/960460058.db2.gz SDSXRGHJYXIMSG-VAUITZSSSA-N 2 0 285.819 1.175 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001323294809 960619480 /nfs/dbraw/zinc/61/94/80/960619480.db2.gz ZLRGBARGLFZIMM-OLZOCXBDSA-N 2 0 255.406 1.175 10 0 CDAERP C[NH+](C)CCCCC(=O)NC[C@H]1CC[N@@H+]1CC1CCC1 ZINC001323337476 960659568 /nfs/dbraw/zinc/65/95/68/960659568.db2.gz WOWPMNUFTUOCLQ-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@H+]1CCCCCF ZINC001323358670 960678922 /nfs/dbraw/zinc/67/89/22/960678922.db2.gz VYJCMRMRUKREIE-CQSZACIVSA-N 2 0 285.407 1.413 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)CC1CC1 ZINC001418572461 960740519 /nfs/dbraw/zinc/74/05/19/960740519.db2.gz ZRJSQMVNMLDDCZ-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[NH2+]C1(CNC(=O)CCCC[NH+](C)C)CC1 ZINC001323595468 960852127 /nfs/dbraw/zinc/85/21/27/960852127.db2.gz DUUABRPMHHMMER-UHFFFAOYSA-N 2 0 255.406 1.365 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001418699149 960914432 /nfs/dbraw/zinc/91/44/32/960914432.db2.gz IBHKLHJUUQNLBO-IHRRRGAJSA-N 2 0 299.434 1.561 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001569351243 1169783669 /nfs/dbraw/zinc/78/36/69/1169783669.db2.gz ZQMAHYXLZGJHSD-NWRQEBOHSA-N 2 0 279.428 1.627 10 0 CDAERP CN(C(=O)CCC[NH+](C)C)C1C[NH+](CCC2CC2)C1 ZINC001323970405 961079135 /nfs/dbraw/zinc/07/91/35/961079135.db2.gz TUZCLBPHHZVYNB-UHFFFAOYSA-N 2 0 267.417 1.271 10 0 CDAERP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@@H]1C[NH2+]CCCF ZINC001324163986 961208364 /nfs/dbraw/zinc/20/83/64/961208364.db2.gz SMOJCZDPSWMQPY-CABCVRRESA-N 2 0 297.418 1.268 10 0 CDAERP C[NH+](C)CCC(=O)NCC1C[NH+](CC2CCCCCC2)C1 ZINC001419033516 961285793 /nfs/dbraw/zinc/28/57/93/961285793.db2.gz PGPFDCDBQDUINS-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CC[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CCC1 ZINC001419259658 961558640 /nfs/dbraw/zinc/55/86/40/961558640.db2.gz JUVPOWUYTUMWMZ-GJZGRUSLSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCF)C1)[NH+]1CCCCC1 ZINC001419515642 961781932 /nfs/dbraw/zinc/78/19/32/961781932.db2.gz GQOIDADKHIAXRE-QLFBSQMISA-N 2 0 299.434 1.703 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC1CC1 ZINC001419668017 961945437 /nfs/dbraw/zinc/94/54/37/961945437.db2.gz PTKWVIIBYCGRDA-DZGCQCFKSA-N 2 0 281.444 1.707 10 0 CDAERP CC1CC(C[N@H+](C)CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001420280598 962679975 /nfs/dbraw/zinc/67/99/75/962679975.db2.gz PDTPSZDILDOKLX-GRAKBVBRSA-N 2 0 295.471 1.811 10 0 CDAERP [NH3+]CC1CCC([NH2+]CCOC2CCOCC2)CC1 ZINC001340063980 962716704 /nfs/dbraw/zinc/71/67/04/962716704.db2.gz LOZJCPUBIPEIMK-UHFFFAOYSA-N 2 0 256.390 1.289 10 0 CDAERP C[N@H+](CCCC(C)(C)C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001420334384 962757899 /nfs/dbraw/zinc/75/78/99/962757899.db2.gz OSBQRAJBJCAZKL-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)CCC[N@H+](C)CCNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001420351165 962778642 /nfs/dbraw/zinc/77/86/42/962778642.db2.gz XBSZRLHHBPUTIV-KRWDZBQOSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@@H](C[N@H+](C)CC1CC1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001420591976 963103217 /nfs/dbraw/zinc/10/32/17/963103217.db2.gz JSIWPAWLXRYNHU-AWEZNQCLSA-N 2 0 293.455 1.709 10 0 CDAERP CCC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)C[C@H](C)O ZINC001420614883 963122563 /nfs/dbraw/zinc/12/25/63/963122563.db2.gz UJWLXTDRGBAWMS-AWEZNQCLSA-N 2 0 299.459 1.070 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC001437732175 963147989 /nfs/dbraw/zinc/14/79/89/963147989.db2.gz CKIKWSFKTCVIOG-LSDHHAIUSA-N 2 0 279.428 1.176 10 0 CDAERP CCC[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CC(C)C ZINC001437755485 963162951 /nfs/dbraw/zinc/16/29/51/963162951.db2.gz XIVOPBISBRYKDM-MRXNPFEDSA-N 2 0 295.471 1.812 10 0 CDAERP C[C@@H](CN(C)Cc1ccns1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001420660262 963164908 /nfs/dbraw/zinc/16/49/08/963164908.db2.gz MBYCGFUNKDXWFE-NWDGAFQWSA-N 2 0 296.440 1.031 10 0 CDAERP CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001420767542 963230384 /nfs/dbraw/zinc/23/03/84/963230384.db2.gz YULFNULNPDPWMI-CABCVRRESA-N 2 0 275.396 1.548 10 0 CDAERP CC(C)CCC[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001438162133 963346163 /nfs/dbraw/zinc/34/61/63/963346163.db2.gz ODVBJTYUWLVDRE-HNNXBMFYSA-N 2 0 281.444 1.422 10 0 CDAERP O=C(C[NH+]1CCCC1)NC1(C[NH2+]CC2CC2)CCCC1 ZINC001438400445 963439023 /nfs/dbraw/zinc/43/90/23/963439023.db2.gz MGIMWRZWRKQOKP-UHFFFAOYSA-N 2 0 279.428 1.511 10 0 CDAERP Cc1ncoc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001438637220 963509037 /nfs/dbraw/zinc/50/90/37/963509037.db2.gz NXXQEEKBAJONKX-DGCLKSJQSA-N 2 0 294.399 1.014 10 0 CDAERP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001421310838 963546654 /nfs/dbraw/zinc/54/66/54/963546654.db2.gz KRXSVLDBPGQYSQ-OAHLLOKOSA-N 2 0 290.411 1.066 10 0 CDAERP CC[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CC1CC1 ZINC001421417005 963598610 /nfs/dbraw/zinc/59/86/10/963598610.db2.gz FTLDUFANGQAECZ-OAHLLOKOSA-N 2 0 293.455 1.757 10 0 CDAERP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+](C[C@@H]2CCCCO2)C1 ZINC001439850974 963879683 /nfs/dbraw/zinc/87/96/83/963879683.db2.gz LXOQIKHYXGXRHB-GOEBONIOSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CC2CCC2)C1 ZINC001440130958 963932359 /nfs/dbraw/zinc/93/23/59/963932359.db2.gz BLOYWPYODHALBE-ZBFHGGJFSA-N 2 0 295.471 1.811 10 0 CDAERP C[C@@H]([NH2+]CC1CC1)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001440801005 964188822 /nfs/dbraw/zinc/18/88/22/964188822.db2.gz DQLUOOFLTWKOEB-OLZOCXBDSA-N 2 0 279.428 1.508 10 0 CDAERP Cc1oncc1C[NH2+][C@@H](C)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001440849535 964209718 /nfs/dbraw/zinc/20/97/18/964209718.db2.gz CGRKPWPEWJZDHE-RYUDHWBXSA-N 2 0 294.399 1.062 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001441042090 964341896 /nfs/dbraw/zinc/34/18/96/964341896.db2.gz CJDLHRFKTAZSRP-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[NH+](CC(C)C)CC1(C)C ZINC001441260816 964441042 /nfs/dbraw/zinc/44/10/42/964441042.db2.gz LQTJMWGNFFKPBH-AWEZNQCLSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001441350542 964472916 /nfs/dbraw/zinc/47/29/16/964472916.db2.gz INKWOKKSWKTQMD-AJNGGQMLSA-N 2 0 299.434 1.655 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001441520599 964571913 /nfs/dbraw/zinc/57/19/13/964571913.db2.gz DXPMCHRZUUGHLM-SOUVJXGZSA-N 2 0 299.434 1.703 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CCC[C@H]([N@@H+](C)CC)C1 ZINC001442193072 964905566 /nfs/dbraw/zinc/90/55/66/964905566.db2.gz GBYSKRURXGUHKL-UONOGXRCSA-N 2 0 287.423 1.609 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)C1 ZINC001442559639 965115032 /nfs/dbraw/zinc/11/50/32/965115032.db2.gz MVJRWRQGQIGYNL-XHSDSOJGSA-N 2 0 293.455 1.804 10 0 CDAERP CC[C@H](F)C[N@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001442743897 965197166 /nfs/dbraw/zinc/19/71/66/965197166.db2.gz ISDAQIQJXYAXEE-OLZOCXBDSA-N 2 0 273.396 1.124 10 0 CDAERP CC[N@H+](CCNC(=O)C[NH+]1CCCC1)CCC(C)(C)C ZINC001442747854 965200498 /nfs/dbraw/zinc/20/04/98/965200498.db2.gz XEYLNFJWDXKLFH-UHFFFAOYSA-N 2 0 283.460 1.957 10 0 CDAERP CN(CC[N@H+](C)CCCF)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001445060431 966073311 /nfs/dbraw/zinc/07/33/11/966073311.db2.gz BEIQZIHZVMKKFU-ZDUSSCGKSA-N 2 0 273.396 1.078 10 0 CDAERP CC1CC(C[N@H+](C)CCN(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001445062376 966086271 /nfs/dbraw/zinc/08/62/71/966086271.db2.gz VVTQIJMVJUBZIG-HWOWSKLDSA-N 2 0 295.471 1.765 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccsc1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001445649191 966265514 /nfs/dbraw/zinc/26/55/14/966265514.db2.gz RUSYUGLVFBXAIG-STQMWFEESA-N 2 0 295.452 1.684 10 0 CDAERP CC[C@H](C)C[N@H+](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001445821759 966351114 /nfs/dbraw/zinc/35/11/14/966351114.db2.gz VPJBFQWYDNHUMR-UONOGXRCSA-N 2 0 283.460 1.811 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@]2(C1)CCC[N@H+](CCF)C2 ZINC001446325054 966513040 /nfs/dbraw/zinc/51/30/40/966513040.db2.gz CNRKIDJSKUMCNU-OAHLLOKOSA-N 2 0 285.407 1.222 10 0 CDAERP CC1(C)C[C@@H]([NH2+][C@@H](CO)CC(F)(F)F)C[C@@H]([NH3+])C1 ZINC001350955151 966809176 /nfs/dbraw/zinc/80/91/76/966809176.db2.gz GSFBWJWSSPCFNN-KXUCPTDWSA-N 2 0 268.323 1.795 10 0 CDAERP CC(C)CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH]cn2)C[C@@H]1C ZINC001447543929 966814070 /nfs/dbraw/zinc/81/40/70/966814070.db2.gz MRAYSWQMXRQWGJ-DZGCQCFKSA-N 2 0 292.427 1.825 10 0 CDAERP C[N@H+](C/C=C/Cl)C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001447767383 966868245 /nfs/dbraw/zinc/86/82/45/966868245.db2.gz IJYZNTHYMCWXOO-HZRUHFOJSA-N 2 0 299.846 1.758 10 0 CDAERP C[C@@H]([NH2+]Cc1ccns1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001447907301 966925233 /nfs/dbraw/zinc/92/52/33/966925233.db2.gz RMIQCLHEAMPVDW-MNOVXSKESA-N 2 0 284.429 1.078 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N(C)C1CCC([NH2+]C[C@@H](C)O)CC1 ZINC001447946749 966937842 /nfs/dbraw/zinc/93/78/42/966937842.db2.gz OLIMOXHNBXYKLV-WLYUNCDWSA-N 2 0 299.459 1.067 10 0 CDAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)CC1CC(C)C1 ZINC001448147964 967014393 /nfs/dbraw/zinc/01/43/93/967014393.db2.gz MUNLXUBAESQSHV-SLTAFYQDSA-N 2 0 281.444 1.565 10 0 CDAERP CN(C(=O)CC[NH+](C)C)C1CC([NH2+]Cc2cccnc2)C1 ZINC001449382026 967449336 /nfs/dbraw/zinc/44/93/36/967449336.db2.gz BBVJPCVBBLUMFD-UHFFFAOYSA-N 2 0 290.411 1.112 10 0 CDAERP C[N@H+](CCCCNC(=O)CCCn1ccnc1)C1CC1 ZINC001527716682 968725245 /nfs/dbraw/zinc/72/52/45/968725245.db2.gz WGJCIICEMGRZLJ-UHFFFAOYSA-N 2 0 278.400 1.654 10 0 CDAERP CC(C)c1nc(CNC(=O)[C@H](C(C)C)[NH+](C)C)c[nH]1 ZINC001456346447 968942251 /nfs/dbraw/zinc/94/22/51/968942251.db2.gz RZSWPMALBRRFIM-LBPRGKRZSA-N 2 0 266.389 1.736 10 0 CDAERP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC23CC(C)(C2)OC3)C1 ZINC001459625257 969441532 /nfs/dbraw/zinc/44/15/32/969441532.db2.gz CXNBEQNJUMIRDK-GTPINHCMSA-N 2 0 296.455 1.988 10 0 CDAERP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H](C)CC[NH+](C)C)C1 ZINC001465473927 969875458 /nfs/dbraw/zinc/87/54/58/969875458.db2.gz WDJXECNMISDGLF-GJZGRUSLSA-N 2 0 283.460 1.765 10 0 CDAERP CCOCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001569632773 1169943965 /nfs/dbraw/zinc/94/39/65/1169943965.db2.gz ZOCHUGXKEANCCO-GOEBONIOSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)(C)[NH2+]CC(=O)N1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001522662001 970530705 /nfs/dbraw/zinc/53/07/05/970530705.db2.gz MPRORBVYZUBWPG-UHFFFAOYSA-N 2 0 269.433 1.754 10 0 CDAERP CC[C@H](C[NH+]1CCCC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001361958259 970714735 /nfs/dbraw/zinc/71/47/35/970714735.db2.gz HWGBNMKNRBPOKI-SOUVJXGZSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C[NH2+]CC1CCC1 ZINC001495787651 972630614 /nfs/dbraw/zinc/63/06/14/972630614.db2.gz YZPIXNXBUMMFMS-ZFWWWQNUSA-N 2 0 281.444 1.470 10 0 CDAERP C[C@@H](CCNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH2+]CC1CC1 ZINC001371884459 972669993 /nfs/dbraw/zinc/66/99/93/972669993.db2.gz STFAWFZIZKHFAP-BBRMVZONSA-N 2 0 279.428 1.367 10 0 CDAERP COCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001496056348 972780251 /nfs/dbraw/zinc/78/02/51/972780251.db2.gz QMGYUQPOSNVXKV-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)[C@H](C(=O)NCC[N@H+](C)Cc1ccsc1)[NH+](C)C ZINC001372117906 972798038 /nfs/dbraw/zinc/79/80/38/972798038.db2.gz WVGSFSZANBQLAU-CQSZACIVSA-N 2 0 297.468 1.882 10 0 CDAERP CC(C)[C@H](C(=O)N(C)[C@H](C)C[NH2+]C/C=C\Cl)[NH+](C)C ZINC001496152425 972820637 /nfs/dbraw/zinc/82/06/37/972820637.db2.gz VYMUDOHIIIOLQO-OTHLQRGRSA-N 2 0 289.851 1.762 10 0 CDAERP CCC[N@H+](C)CC(=O)NCC[NH+](C)C[C@@H]1CCO[C@H](C)C1 ZINC001372194121 972844051 /nfs/dbraw/zinc/84/40/51/972844051.db2.gz YYMKMVIEWXHDDY-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001496372176 972900185 /nfs/dbraw/zinc/90/01/85/972900185.db2.gz VRTYXBOUWJGYBA-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1CC[NH2+]C[C@@H](C)O ZINC001496418927 972917563 /nfs/dbraw/zinc/91/75/63/972917563.db2.gz LSNQPSJNACXTQS-CABCVRRESA-N 2 0 299.459 1.070 10 0 CDAERP C[C@H](CC[NH2+]CC1CC1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001497208328 973244594 /nfs/dbraw/zinc/24/45/94/973244594.db2.gz QSXAGGMCVUCEMP-HIFRSBDPSA-N 2 0 281.444 1.755 10 0 CDAERP Cc1ccncc1C[NH2+]CC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001497261417 973268178 /nfs/dbraw/zinc/26/81/78/973268178.db2.gz CTRSQWOKZCWZLS-CQSZACIVSA-N 2 0 292.427 1.326 10 0 CDAERP CCN(CC[NH2+]CC1CC2(CCC2)C1)C(=O)CC[NH+](C)C ZINC001497447673 973353987 /nfs/dbraw/zinc/35/39/87/973353987.db2.gz OPPDMBOHYSXBQM-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001417797637 973391383 /nfs/dbraw/zinc/39/13/83/973391383.db2.gz HGKMCHOWCVYJIE-MGPQQGTHSA-N 2 0 297.418 1.315 10 0 CDAERP CC(C)[NH2+]C/C=C\CNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001497612759 973434414 /nfs/dbraw/zinc/43/44/14/973434414.db2.gz WVRQXTRUQPARGD-NWRQEBOHSA-N 2 0 279.428 1.674 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001418056351 973559680 /nfs/dbraw/zinc/55/96/80/973559680.db2.gz ARTGCNLMGLELLO-KBUPBQIOSA-N 2 0 299.434 1.844 10 0 CDAERP C[C@H](C[NH2+]CCC(C)(C)C)NC(=O)C[NH+]1CCCC1 ZINC001497984405 973598562 /nfs/dbraw/zinc/59/85/62/973598562.db2.gz ZHEKSKMWGZGQGS-CYBMUJFWSA-N 2 0 269.433 1.613 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001418124558 973600905 /nfs/dbraw/zinc/60/09/05/973600905.db2.gz QSIUONDRMZHYHH-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C[NH2+]C[C@@H](F)CC)[NH+](C)C ZINC001498060489 973653345 /nfs/dbraw/zinc/65/33/45/973653345.db2.gz KXTWUDYSZHPVFO-SDDRHHMPSA-N 2 0 261.385 1.169 10 0 CDAERP Cc1csc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001418216818 973673545 /nfs/dbraw/zinc/67/35/45/973673545.db2.gz UVGXESGNQFVZTL-JQWIXIFHSA-N 2 0 296.440 1.140 10 0 CDAERP Cc1ncccc1C[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001418311169 973742710 /nfs/dbraw/zinc/74/27/10/973742710.db2.gz DDSBIGCNCNOGNO-ZDUSSCGKSA-N 2 0 292.427 1.325 10 0 CDAERP C[C@@H](C[NH2+]CC1CCCC1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001374283268 973876383 /nfs/dbraw/zinc/87/63/83/973876383.db2.gz RNBUZHJMUBQTQE-CABCVRRESA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C[N@H+](C)CCC1CC1)[NH+](C)C ZINC001498426813 973904176 /nfs/dbraw/zinc/90/41/76/973904176.db2.gz DTLXBVPTJLYBTJ-TZMCWYRMSA-N 2 0 269.433 1.563 10 0 CDAERP C[C@H](C[NH2+]Cc1cccnc1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001374810067 974132043 /nfs/dbraw/zinc/13/20/43/974132043.db2.gz FGJFQUQVIYFYMA-ZIAGYGMSSA-N 2 0 290.411 1.018 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC1CCC1 ZINC001374981095 974200077 /nfs/dbraw/zinc/20/00/77/974200077.db2.gz HBDOSXZMYPLKRJ-DZGCQCFKSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001375040047 974237787 /nfs/dbraw/zinc/23/77/87/974237787.db2.gz SDGXJNOTJKVVFA-UKRRQHHQSA-N 2 0 281.444 1.421 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](F)C[NH+](CC)CC ZINC001499898032 974329895 /nfs/dbraw/zinc/32/98/95/974329895.db2.gz XXPKIJYYPNBCGC-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001375374778 974355419 /nfs/dbraw/zinc/35/54/19/974355419.db2.gz UQESGLRQFDNCGV-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@]1(C)CC[NH+](CC=C(C)C)C1 ZINC001500283171 974416322 /nfs/dbraw/zinc/41/63/22/974416322.db2.gz ZIKSSUBQVNHIGP-MRXNPFEDSA-N 2 0 281.444 1.875 10 0 CDAERP CC[C@@H](F)C[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2ncc[nH]2)C1 ZINC001375578847 974430507 /nfs/dbraw/zinc/43/05/07/974430507.db2.gz YXMFTCZFDYLSMP-YNEHKIRRSA-N 2 0 296.390 1.575 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCC2CC2)[C@@H]1C ZINC001375673981 974453358 /nfs/dbraw/zinc/45/33/58/974453358.db2.gz XUQHPLCMVPBRBF-HIFRSBDPSA-N 2 0 281.444 1.706 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCC[NH+](CC2CC2)C1 ZINC001376065566 974549875 /nfs/dbraw/zinc/54/98/75/974549875.db2.gz UUNZUVTYCGTZHT-CVEARBPZSA-N 2 0 293.455 1.851 10 0 CDAERP CCCCC[N@H+]1C[C@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@H]2C1 ZINC001501242841 974555113 /nfs/dbraw/zinc/55/51/13/974555113.db2.gz PHMXBAVKCDYUOD-IYBDPMFKSA-N 2 0 295.471 1.907 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC2)C1 ZINC001376467081 974668460 /nfs/dbraw/zinc/66/84/60/974668460.db2.gz ZSFVMMQXKYZIEZ-MJBXVCDLSA-N 2 0 285.407 1.313 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC[C@H](C)F)C1)[NH+](C)C ZINC001376473245 974669986 /nfs/dbraw/zinc/66/99/86/974669986.db2.gz ADHMAXGSNKILGI-RVMXOQNASA-N 2 0 273.396 1.312 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001376499021 974676833 /nfs/dbraw/zinc/67/68/33/974676833.db2.gz CDIWHQGKIDTKMW-XVGAQQEPSA-N 2 0 271.792 1.072 10 0 CDAERP CC[C@H](C(=O)NC1CCC([NH2+]CC2CC2)CC1)[NH+](C)C ZINC001376665606 974705735 /nfs/dbraw/zinc/70/57/35/974705735.db2.gz XZRXEEXNVYNLTN-YMAMQOFZSA-N 2 0 281.444 1.754 10 0 CDAERP CCCC[N@H+](C)CCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001502245549 974717875 /nfs/dbraw/zinc/71/78/75/974717875.db2.gz DNOQIZWHAFBYAE-MRXNPFEDSA-N 2 0 295.471 1.909 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH+](C)CCOC)CC[N@@H+]1C ZINC001502336537 974720583 /nfs/dbraw/zinc/72/05/83/974720583.db2.gz OGGMVNKPCUIVSR-LSDHHAIUSA-N 2 0 299.459 1.143 10 0 CDAERP CC[C@H](C[NH2+][C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1)OC ZINC001376780409 974764365 /nfs/dbraw/zinc/76/43/65/974764365.db2.gz AVKPMTJKIYNCFT-ZIAGYGMSSA-N 2 0 299.459 1.380 10 0 CDAERP C[C@@H](CNC(=O)CCC[NH+](C)C)[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001376803933 974775782 /nfs/dbraw/zinc/77/57/82/974775782.db2.gz NNFRGTKDBBWWSN-KBPBESRZSA-N 2 0 299.459 1.238 10 0 CDAERP CC[C@@H](F)CN1CCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001377399869 975006787 /nfs/dbraw/zinc/00/67/87/975006787.db2.gz PZCAYQCOQKDOBQ-ZIAGYGMSSA-N 2 0 299.434 1.799 10 0 CDAERP C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH+](C)CCCF ZINC001505937550 975051419 /nfs/dbraw/zinc/05/14/19/975051419.db2.gz HIDCBQPFHIPXQK-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1 ZINC001377618698 975090158 /nfs/dbraw/zinc/09/01/58/975090158.db2.gz GLDDAYWFQKMABL-FVQBIDKESA-N 2 0 289.423 1.794 10 0 CDAERP CO[C@@H](C)C[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)C(C)C ZINC001377669951 975106819 /nfs/dbraw/zinc/10/68/19/975106819.db2.gz DHFCLOHLPSPHJP-LSDHHAIUSA-N 2 0 299.459 1.284 10 0 CDAERP C[NH+](C)CCC(=O)NC1CC(C[NH2+]CC2CC(C)(C)C2)C1 ZINC001377720179 975120794 /nfs/dbraw/zinc/12/07/94/975120794.db2.gz SYGNVCNCBBCHJB-UHFFFAOYSA-N 2 0 295.471 1.859 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1nccs1 ZINC001377871660 975161978 /nfs/dbraw/zinc/16/19/78/975161978.db2.gz KRIJWXXNUYYKKA-NEPJUHHUSA-N 2 0 298.456 1.468 10 0 CDAERP CCC[N@H+](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001506960914 975275020 /nfs/dbraw/zinc/27/50/20/975275020.db2.gz NDRRMPNRSRIPHA-UHFFFAOYSA-N 2 0 255.406 1.271 10 0 CDAERP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH+](C)CC1CCCC1 ZINC001378183575 975275089 /nfs/dbraw/zinc/27/50/89/975275089.db2.gz ISNFDOKLDDWBBZ-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP CCC(CC)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CN(C)CCO1 ZINC001378233272 975300089 /nfs/dbraw/zinc/30/00/89/975300089.db2.gz OLOJVTSYFMTOJN-LSDHHAIUSA-N 2 0 299.459 1.238 10 0 CDAERP CCCCC[N@@H+]1CC[C@](O)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001569764735 1169988172 /nfs/dbraw/zinc/98/81/72/1169988172.db2.gz DUGZJOXSFAZTIO-INIZCTEOSA-N 2 0 299.459 1.070 10 0 CDAERP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1oc(C)nc1C ZINC001378303527 975324922 /nfs/dbraw/zinc/32/49/22/975324922.db2.gz PDQSKAJKBBFWQZ-CYBMUJFWSA-N 2 0 296.415 1.228 10 0 CDAERP COCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001507096741 975334463 /nfs/dbraw/zinc/33/44/63/975334463.db2.gz ZPDRYFBMGNKUOV-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cccnc1 ZINC001378340776 975334484 /nfs/dbraw/zinc/33/44/84/975334484.db2.gz RXLGXBGFDFDKPP-OAHLLOKOSA-N 2 0 290.411 1.162 10 0 CDAERP C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1C[NH+](CCCF)C1 ZINC001378533896 975381210 /nfs/dbraw/zinc/38/12/10/975381210.db2.gz BGRGDQAMYFHNFL-STQMWFEESA-N 2 0 285.407 1.124 10 0 CDAERP CCCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCC)[C@H]1C ZINC001507293674 975402287 /nfs/dbraw/zinc/40/22/87/975402287.db2.gz UZSOAZGFLNYGTE-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP CCC[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)CC)CCC[C@H]12 ZINC001507350886 975426624 /nfs/dbraw/zinc/42/66/24/975426624.db2.gz CKDHBDBJCDWYRQ-GOEBONIOSA-N 2 0 281.444 1.851 10 0 CDAERP CC1CC(C[NH2+]C[C@](C)(NC(=O)CC[NH+](C)C)C2CC2)C1 ZINC001401000216 975432527 /nfs/dbraw/zinc/43/25/27/975432527.db2.gz BOCAKIYLYFUWMZ-KVULBXGLSA-N 2 0 295.471 1.859 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]([NH2+]CCCF)C(C)(C)C2)C1 ZINC001507445898 975471992 /nfs/dbraw/zinc/47/19/92/975471992.db2.gz LCQPXUBXNKIMNC-KGLIPLIRSA-N 2 0 299.434 1.514 10 0 CDAERP CO[C@H](C)C[N@H+](C)C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001378931888 975549115 /nfs/dbraw/zinc/54/91/15/975549115.db2.gz IINCNOIEDWKBNW-CQSZACIVSA-N 2 0 299.459 1.284 10 0 CDAERP CC[C@H](C(=O)NCC1=CC[N@H+](CCCOC)CC1)[NH+](C)C ZINC001508209304 975639427 /nfs/dbraw/zinc/63/94/27/975639427.db2.gz TZHLAFRNJFIOEO-OAHLLOKOSA-N 2 0 297.443 1.111 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001379085101 975653363 /nfs/dbraw/zinc/65/33/63/975653363.db2.gz WGMWCPSRBKYGAK-KGLIPLIRSA-N 2 0 287.423 1.609 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH+](C)CC1CCCC1 ZINC001379135409 975683373 /nfs/dbraw/zinc/68/33/73/975683373.db2.gz ANOJUPWUUFGBEW-UHFFFAOYSA-N 2 0 283.460 1.907 10 0 CDAERP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1ccsc1 ZINC001379225002 975720470 /nfs/dbraw/zinc/72/04/70/975720470.db2.gz PSFDTEUZPYYQLC-GFCCVEGCSA-N 2 0 283.441 1.636 10 0 CDAERP CO[C@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001405528658 975766057 /nfs/dbraw/zinc/76/60/57/975766057.db2.gz UQBWFVCRYIZWRK-RBSFLKMASA-N 2 0 297.443 1.134 10 0 CDAERP Cc1oncc1C[NH2+][C@@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001379326922 975767714 /nfs/dbraw/zinc/76/77/14/975767714.db2.gz OXGWTIVWZOJSOI-LBPRGKRZSA-N 2 0 294.399 1.015 10 0 CDAERP Cc1ncccc1C[NH2+]C[C@H](C)N(C)C(=O)CC[NH+](C)C ZINC001405849578 975905058 /nfs/dbraw/zinc/90/50/58/975905058.db2.gz JNQOQRNSAQTAAR-ZDUSSCGKSA-N 2 0 292.427 1.278 10 0 CDAERP CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001405928942 975939878 /nfs/dbraw/zinc/93/98/78/975939878.db2.gz PXGZHDFUSBDZII-HUUCEWRRSA-N 2 0 281.444 1.469 10 0 CDAERP CC[NH+]1CCC2(C[C@H]2NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001398327362 975946157 /nfs/dbraw/zinc/94/61/57/975946157.db2.gz ICZKGQGXUCOLQW-HUUCEWRRSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001401924726 976010282 /nfs/dbraw/zinc/01/02/82/976010282.db2.gz NFZUCHQQCQHRCT-LSDHHAIUSA-N 2 0 299.434 1.801 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001398539732 976028390 /nfs/dbraw/zinc/02/83/90/976028390.db2.gz NODGRMCNADKPMU-JHJVBQTASA-N 2 0 285.407 1.456 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCCCO2)C1 ZINC001398669283 976099743 /nfs/dbraw/zinc/09/97/43/976099743.db2.gz HRCUSJZYCJCQIL-QLFBSQMISA-N 2 0 297.443 1.134 10 0 CDAERP CC[C@H](C)C[N@@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001402082989 976116194 /nfs/dbraw/zinc/11/61/94/976116194.db2.gz CWLYIWVPUXUCAR-GJZGRUSLSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]CCF)C1CC1 ZINC001402337127 976243085 /nfs/dbraw/zinc/24/30/85/976243085.db2.gz HHFGAPYMKWABMO-CABCVRRESA-N 2 0 299.434 1.703 10 0 CDAERP CCC[N@H+](C)CC(=O)NCC1(NCc2coc(C)n2)CC1 ZINC001380161138 976272974 /nfs/dbraw/zinc/27/29/74/976272974.db2.gz XIVZXABSSRZPQX-UHFFFAOYSA-N 2 0 294.399 1.063 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)[NH2+]CC=C(Cl)Cl)[NH+](C)C ZINC001398979639 976275195 /nfs/dbraw/zinc/27/51/95/976275195.db2.gz NIFOLLNXIFJURU-VHSXEESVSA-N 2 0 296.242 1.740 10 0 CDAERP Cc1cnc(C[NH2+][C@@H](C)CNC(=O)C[NH+]2CCCC2)s1 ZINC001399126897 976354141 /nfs/dbraw/zinc/35/41/41/976354141.db2.gz VVVJNGOLQOLCAS-NSHDSACASA-N 2 0 296.440 1.142 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cncs2)C1)[NH+](C)C ZINC001402625430 976403678 /nfs/dbraw/zinc/40/36/78/976403678.db2.gz DQMASLUYXWMWCC-LOWVWBTDSA-N 2 0 296.440 1.220 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]C(C)C ZINC001390674557 976431205 /nfs/dbraw/zinc/43/12/05/976431205.db2.gz QGMOWETUQYITQS-CABCVRRESA-N 2 0 283.460 2.000 10 0 CDAERP CO[C@@H](C)C[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001406939650 976487708 /nfs/dbraw/zinc/48/77/08/976487708.db2.gz USCSGDHMCYMONB-KBPBESRZSA-N 2 0 297.443 1.134 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001407021595 976516027 /nfs/dbraw/zinc/51/60/27/976516027.db2.gz AAHDGVIOVPGFTR-HOCLYGCPSA-N 2 0 299.434 1.611 10 0 CDAERP CCC[NH+]1CCC(C)(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001407272230 976622217 /nfs/dbraw/zinc/62/22/17/976622217.db2.gz FNLLIYAZEWYNQK-OAHLLOKOSA-N 2 0 295.471 1.957 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[NH+](CC(C)C)C2 ZINC001407497175 976683768 /nfs/dbraw/zinc/68/37/68/976683768.db2.gz QDHABDJJOSXHCN-XHSDSOJGSA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1CC[N@H+](CCF)CC1(C)C)[NH+](C)C ZINC001381139197 976687876 /nfs/dbraw/zinc/68/78/76/976687876.db2.gz HWWNWAHOZDUOKY-CHWSQXEVSA-N 2 0 287.423 1.513 10 0 CDAERP CC[C@@H](C(=O)NCC[C@@H]1CC[N@H+](CC)C1)[NH+](CC)CC ZINC001391320526 976813068 /nfs/dbraw/zinc/81/30/68/976813068.db2.gz BIMKHXVMYVJMNX-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP CC[NH2+][C@@H](CCN(C)C(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001403235877 976828581 /nfs/dbraw/zinc/82/85/81/976828581.db2.gz AIGVGVZHDLNNBV-AWEZNQCLSA-N 2 0 281.444 1.565 10 0 CDAERP CC[NH2+][C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001400080482 976845279 /nfs/dbraw/zinc/84/52/79/976845279.db2.gz FCZXWSMIJZETSO-ZBFHGGJFSA-N 2 0 289.423 1.795 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001408300737 976995969 /nfs/dbraw/zinc/99/59/69/976995969.db2.gz HRLPVMLMFYUBKU-QLFBSQMISA-N 2 0 299.434 1.799 10 0 CDAERP CC[C@H](C(=O)N(C)[C@H](C[NH2+]CC1CC1)C1CC1)[NH+](C)C ZINC001382037210 977128561 /nfs/dbraw/zinc/12/85/61/977128561.db2.gz WZWOSIJSDLSHEN-HUUCEWRRSA-N 2 0 281.444 1.563 10 0 CDAERP CC(C)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C ZINC001403795416 977195727 /nfs/dbraw/zinc/19/57/27/977195727.db2.gz AKQCJVCJTIJHIK-CQSZACIVSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001382313547 977246055 /nfs/dbraw/zinc/24/60/55/977246055.db2.gz NOGZIXBUAFTOCQ-CABCVRRESA-N 2 0 281.444 1.707 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C(C)(C)C ZINC001382526964 977301692 /nfs/dbraw/zinc/30/16/92/977301692.db2.gz ZHLQGWIOAOHCMS-OLZOCXBDSA-N 2 0 289.439 1.807 10 0 CDAERP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1cncs1)[NH+](C)C ZINC001392600126 977501763 /nfs/dbraw/zinc/50/17/63/977501763.db2.gz RENTVGDOAOUABF-WCQYABFASA-N 2 0 298.456 1.324 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CC[NH+]2CC2CCCC2)C1 ZINC001392876408 977634591 /nfs/dbraw/zinc/63/45/91/977634591.db2.gz XAUXYMPLNAHEGB-HOTGVXAUSA-N 2 0 293.455 1.709 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@]2(CC[N@H+](CC3CCC3)C2)C1 ZINC001392991311 977668268 /nfs/dbraw/zinc/66/82/68/977668268.db2.gz LMPNVAHFHIYZAA-KRWDZBQOSA-N 2 0 293.455 1.663 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N[C@]2(C)CC[NH+](CC3CCC3)C2)C1 ZINC001393118557 977708298 /nfs/dbraw/zinc/70/82/98/977708298.db2.gz LHEVMOHWRQZMIS-NVXWUHKLSA-N 2 0 293.455 1.709 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC ZINC001393467011 977796071 /nfs/dbraw/zinc/79/60/71/977796071.db2.gz WWTTZKJIPKUQRQ-RRFJBIMHSA-N 2 0 299.434 1.752 10 0 CDAERP O=C(NCC1([NH2+]CC2CC2)CCC1)C12CC[NH+](CC1)C2 ZINC001393565518 977837081 /nfs/dbraw/zinc/83/70/81/977837081.db2.gz FIIXEHSEVSVEPT-UHFFFAOYSA-N 2 0 277.412 1.121 10 0 CDAERP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]CCC(F)(F)F ZINC001393967020 977986918 /nfs/dbraw/zinc/98/69/18/977986918.db2.gz HHIBMYDZMRVZSH-UWVGGRQHSA-N 2 0 283.338 1.373 10 0 CDAERP CN(C(=O)[C@H]1CCCC[N@@H+]1C)C1CC([NH2+]C/C=C/Cl)C1 ZINC001394853577 978284840 /nfs/dbraw/zinc/28/48/40/978284840.db2.gz HOPVDAMOUUNCPS-ZJEKDSISSA-N 2 0 299.846 1.802 10 0 CDAERP CCCC[NH2+]CC1(O)CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001674104542 1173912897 /nfs/dbraw/zinc/91/28/97/1173912897.db2.gz GDVVJCDQOGYUDL-UHFFFAOYSA-N 2 0 299.459 1.071 10 0 CDAERP C[C@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]CC1CC1 ZINC001674722568 1173998313 /nfs/dbraw/zinc/99/83/13/1173998313.db2.gz OUFIKHWDHCHCPQ-RYUDHWBXSA-N 2 0 255.406 1.221 10 0 CDAERP C[C@H](CCC[NH2+]CCF)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001675946626 1174168142 /nfs/dbraw/zinc/16/81/42/1174168142.db2.gz AIXAFYVTXIDLFR-CYBMUJFWSA-N 2 0 287.423 1.705 10 0 CDAERP CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001676351811 1174212842 /nfs/dbraw/zinc/21/28/42/1174212842.db2.gz WWOFJBBTVWPFIH-JSGCOSHPSA-N 2 0 267.417 1.175 10 0 CDAERP CCCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@@H]1C ZINC001571456279 1170437609 /nfs/dbraw/zinc/43/76/09/1170437609.db2.gz BOHCNEUHFRTXLF-UKRRQHHQSA-N 2 0 281.444 1.850 10 0 CDAERP CC(C)N(CC[N@H+](C)C(C)C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001571616307 1170496685 /nfs/dbraw/zinc/49/66/85/1170496685.db2.gz YOJUNIABOAPWLW-CQSZACIVSA-N 2 0 269.433 1.515 10 0 CDAERP C[N@H+](CCNC(=O)NC[C@H]1CC[NH+]1C1CCCC1)C1CC1 ZINC000623718510 342483483 /nfs/dbraw/zinc/48/34/83/342483483.db2.gz NJWDXXJKHJYGFI-OAHLLOKOSA-N 2 0 294.443 1.397 10 0 CDAERP CN(Cc1ccccc1)C[C@H](O)C[NH+]1CCCCC1 ZINC000309601439 341993207 /nfs/dbraw/zinc/99/32/07/341993207.db2.gz STMOERJDOHKLMZ-INIZCTEOSA-N 2 0 262.397 1.965 10 0 CDAERP C[C@@H](CNC(=O)N[C@H]1CCC[N@H+](C)C1)[NH+]1CCCC[C@H]1C ZINC000618555373 349482759 /nfs/dbraw/zinc/48/27/59/349482759.db2.gz WAKKPOPXGKRMOJ-ILXRZTDVSA-N 2 0 296.459 1.643 10 0 CDAERP CCn1nc(C)c(C[NH2+]CCC2(C[NH3+])CC2)c1C ZINC000650712838 398155706 /nfs/dbraw/zinc/15/57/06/398155706.db2.gz WZHPSHAEMZSDSB-UHFFFAOYSA-N 2 0 250.390 1.738 10 0 CDAERP CC(C)C[C@H]([NH3+])CNCc1ccc(C[NH3+])cc1F ZINC000650716595 398157565 /nfs/dbraw/zinc/15/75/65/398157565.db2.gz CWXAMPPMJOTCKE-ZDUSSCGKSA-N 2 0 253.365 1.747 10 0 CDAERP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)Cc1cnccn1 ZINC000650755912 398179283 /nfs/dbraw/zinc/17/92/83/398179283.db2.gz PHXMTNSANKRUOH-ZDUSSCGKSA-N 2 0 270.380 1.917 10 0 CDAERP CN(CC[NH+](C)C)[C@H](C[NH3+])c1ccc(Br)o1 ZINC000082540045 178089176 /nfs/dbraw/zinc/08/91/76/178089176.db2.gz NURZZWIQHZKDCT-SECBINFHSA-N 2 0 290.205 1.535 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000300674240 342562871 /nfs/dbraw/zinc/56/28/71/342562871.db2.gz LLRIMYRDOLAJQP-CHWSQXEVSA-N 2 0 255.406 1.223 10 0 CDAERP C[C@H](CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C(F)(F)F ZINC000625286651 342077748 /nfs/dbraw/zinc/07/77/48/342077748.db2.gz JNPFLTNUDTXVQY-LLVKDONJSA-N 2 0 297.365 1.527 10 0 CDAERP C[C@@H]1C[C@@]2(C[N@@H+]1Cc1ccccc1)OC[C@H](C[NH3+])O2 ZINC000307180275 365640187 /nfs/dbraw/zinc/64/01/87/365640187.db2.gz LJGZHFWNKGXKED-VHDGCEQUSA-N 2 0 262.353 1.351 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000591571601 342637529 /nfs/dbraw/zinc/63/75/29/342637529.db2.gz QYQKAHZERRZDMC-CABCVRRESA-N 2 0 294.443 1.350 10 0 CDAERP COc1cc2c(cc1C[NH2+]CCOCCC[NH3+])O[C@H](C)C2 ZINC000629398743 361932950 /nfs/dbraw/zinc/93/29/50/361932950.db2.gz XYELNGMGYUDCAY-GFCCVEGCSA-N 2 0 294.395 1.474 10 0 CDAERP C[NH2+]CCOCC[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000629404410 361934017 /nfs/dbraw/zinc/93/40/17/361934017.db2.gz LWPFSMJXOUCDSF-UHFFFAOYSA-N 2 0 297.365 1.229 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCc1ccccc1C ZINC000234721278 536594411 /nfs/dbraw/zinc/59/44/11/536594411.db2.gz LOJJKNYLBMUQQO-OAHLLOKOSA-N 2 0 250.386 1.881 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](c1cccc(F)c1)N(C)C ZINC000422726819 536594495 /nfs/dbraw/zinc/59/44/95/536594495.db2.gz GAIYAOJJRXTABN-CVEARBPZSA-N 2 0 297.418 1.772 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000440922697 361947884 /nfs/dbraw/zinc/94/78/84/361947884.db2.gz DCHLRDATCXGTAI-KCQAQPDRSA-N 2 0 279.428 1.602 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCCC[NH+](C)C ZINC000594272550 342883957 /nfs/dbraw/zinc/88/39/57/342883957.db2.gz IKBMKGVMTRCYIP-ZIAGYGMSSA-N 2 0 284.448 1.500 10 0 CDAERP CSCC1CCC([NH2+]CCOCCC[NH3+])CC1 ZINC000600709348 342243409 /nfs/dbraw/zinc/24/34/09/342243409.db2.gz JNJDPKPPFUYYGS-UHFFFAOYSA-N 2 0 260.447 1.863 10 0 CDAERP CCC1(N2CCOCC2)CC[NH+](CCC[C@@H](C)O)CC1 ZINC000626089134 342301402 /nfs/dbraw/zinc/30/14/02/342301402.db2.gz BPKJCGPUIVSVIT-OAHLLOKOSA-N 2 0 284.444 1.724 10 0 CDAERP C[S@@](=O)C1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000594937536 342977926 /nfs/dbraw/zinc/97/79/26/342977926.db2.gz QLCGUFHYWSRWAR-HXUWFJFHSA-N 2 0 290.392 1.268 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000594945554 342979822 /nfs/dbraw/zinc/97/98/22/342979822.db2.gz FMZMDEQBPRPFGZ-ZLKJLUDKSA-N 2 0 273.336 1.622 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000594946439 342981091 /nfs/dbraw/zinc/98/10/91/342981091.db2.gz PQHLOAUHYPSDSR-XJFOESAGSA-N 2 0 268.401 1.506 10 0 CDAERP CN(C)c1nccc(N2CCC[C@H]([NH+]3CCCC3)C2)n1 ZINC000077488981 342329109 /nfs/dbraw/zinc/32/91/09/342329109.db2.gz CTKVPMXKYXGMSE-ZDUSSCGKSA-N 2 0 275.400 1.607 10 0 CDAERP C[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000168519508 362052550 /nfs/dbraw/zinc/05/25/50/362052550.db2.gz MCROZEKQFHBRJV-YCPHGPKFSA-N 2 0 289.423 1.703 10 0 CDAERP COC(=O)[C@H]1CCCN1Cc1cccc2c1CC[NH2+]C2 ZINC000595892572 343182283 /nfs/dbraw/zinc/18/22/83/343182283.db2.gz MRXNZJNWEOEEOZ-OAHLLOKOSA-N 2 0 274.364 1.470 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000629514888 362130588 /nfs/dbraw/zinc/13/05/88/362130588.db2.gz VCAYWLMVESVCMP-BPUTZDHNSA-N 2 0 260.381 1.845 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)o1 ZINC000645104583 362118797 /nfs/dbraw/zinc/11/87/97/362118797.db2.gz PCOPPPFXMCKOFT-AAEUAGOBSA-N 2 0 277.368 1.343 10 0 CDAERP [NH3+]C1(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CCOCC1 ZINC000629520489 362134154 /nfs/dbraw/zinc/13/41/54/362134154.db2.gz LEDUUILGRYIXGS-MGPQQGTHSA-N 2 0 267.417 1.005 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2cnn(C)c2)[C@H](C)C1 ZINC000081095963 342365326 /nfs/dbraw/zinc/36/53/26/342365326.db2.gz DKJARONZCKIAOL-UKRRQHHQSA-N 2 0 264.417 1.625 10 0 CDAERP C[NH2+]CCOCC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000629529160 362155591 /nfs/dbraw/zinc/15/55/91/362155591.db2.gz TYVCBZSZSLSORV-UHFFFAOYSA-N 2 0 252.402 1.637 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](c1ccc(F)cn1)C(C)C ZINC000629529535 362157939 /nfs/dbraw/zinc/15/79/39/362157939.db2.gz GIHPRQWFAZWQGG-AWEZNQCLSA-N 2 0 269.364 1.743 10 0 CDAERP CC(C)[C@H](NC[C@@H](O)C[NH+]1CCCC1)c1cccnc1 ZINC000091306347 342402875 /nfs/dbraw/zinc/40/28/75/342402875.db2.gz JNSFSBSLANUJHD-CVEARBPZSA-N 2 0 277.412 1.825 10 0 CDAERP COC[C@@H]1CCN1C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000645160866 362191982 /nfs/dbraw/zinc/19/19/82/362191982.db2.gz UUIHZGWKEBCPIW-HOTGVXAUSA-N 2 0 278.396 1.200 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000623696971 349810788 /nfs/dbraw/zinc/81/07/88/349810788.db2.gz YNLSOYCZTINHMS-OAHLLOKOSA-N 2 0 296.459 1.644 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054291598 343791193 /nfs/dbraw/zinc/79/11/93/343791193.db2.gz HDXOVIASVNEFPA-KGLIPLIRSA-N 2 0 267.417 1.367 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)[C@H]([NH3+])CC(F)F)cc1 ZINC000572958929 362251162 /nfs/dbraw/zinc/25/11/62/362251162.db2.gz RTRJTTCTPVTFQQ-GZMMTYOYSA-N 2 0 271.311 1.305 10 0 CDAERP C[NH+](C)Cc1cccc(NC(=O)NCCC[NH3+])c1 ZINC000623053437 344169295 /nfs/dbraw/zinc/16/92/95/344169295.db2.gz FOPFWHGRXAYMQO-UHFFFAOYSA-N 2 0 250.346 1.219 10 0 CDAERP C[C@H]1C[N@H+](C)[C@@H](C)CN1c1nc(N)nc2c1CCCC2 ZINC000645203935 362370367 /nfs/dbraw/zinc/37/03/67/362370367.db2.gz GPLHQVUAJLTGCV-QWRGUYRKSA-N 2 0 275.400 1.297 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000257690409 344370830 /nfs/dbraw/zinc/37/08/30/344370830.db2.gz LNQPKPJOFTZATJ-ZIAGYGMSSA-N 2 0 267.417 1.448 10 0 CDAERP Cc1cc(Cl)cc(C)c1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000263252612 362396090 /nfs/dbraw/zinc/39/60/90/362396090.db2.gz QBQHNZKBDNBCMU-FZMZJTMJSA-N 2 0 268.788 1.627 10 0 CDAERP Cc1cc(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)on1 ZINC000923450729 684573892 /nfs/dbraw/zinc/57/38/92/684573892.db2.gz IIIGSIKJIHTCNQ-ZDUSSCGKSA-N 2 0 265.357 1.313 10 0 CDAERP CN(C(=O)[C@@H]1CCCC[C@]1(C)[NH3+])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000263271501 362416111 /nfs/dbraw/zinc/41/61/11/362416111.db2.gz SGEYRUZZNNQOAR-YCPHGPKFSA-N 2 0 279.428 1.589 10 0 CDAERP C[N@H+](CC1(C)COC1)[C@H]1CCC[NH+](CC2(C)COC2)CC1 ZINC000338938817 282380614 /nfs/dbraw/zinc/38/06/14/282380614.db2.gz FKBFKZBNYRQXDT-HNNXBMFYSA-N 2 0 296.455 1.846 10 0 CDAERP c1cncc([C@@H]2C[NH2+]CCN2CC2CC[NH2+]CC2)c1 ZINC000571444353 362522032 /nfs/dbraw/zinc/52/20/32/362522032.db2.gz ABPWAUCBBSUONY-HNNXBMFYSA-N 2 0 260.385 1.028 10 0 CDAERP Cc1cn2c(n1)C[C@H](C(=O)N1CC[N@@H+](C)CC1(C)C)CC2 ZINC000626320931 345254465 /nfs/dbraw/zinc/25/44/65/345254465.db2.gz NDQYRYZZWCPEOX-CYBMUJFWSA-N 2 0 290.411 1.307 10 0 CDAERP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)[C@H]1CCCCO1 ZINC000623888044 345591290 /nfs/dbraw/zinc/59/12/90/345591290.db2.gz VOKZFVXCSNXZQK-DOTOQJQBSA-N 2 0 297.487 1.807 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000608648572 345805593 /nfs/dbraw/zinc/80/55/93/345805593.db2.gz WZBCDQRBNKHRFG-OAHLLOKOSA-N 2 0 296.459 1.502 10 0 CDAERP CN(CCC[NH+](C)C)CCNC(=O)[C@@H]1CCCCS1 ZINC000617764665 345960659 /nfs/dbraw/zinc/96/06/59/345960659.db2.gz BKUBCLNVIDXCMQ-ZDUSSCGKSA-N 2 0 287.473 1.272 10 0 CDAERP CN(CCC[NH+](C)C)CCNC(=O)[C@@H]1CCC(C)(C)C1 ZINC000617764638 345960689 /nfs/dbraw/zinc/96/06/89/345960689.db2.gz AUQUPHCJDFTQMH-CQSZACIVSA-N 2 0 283.460 1.812 10 0 CDAERP C[C@@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)N1CC[NH+](C)CC1 ZINC000623404170 346172043 /nfs/dbraw/zinc/17/20/43/346172043.db2.gz SCGAVIYNZHQRPS-GJZGRUSLSA-N 3 0 282.476 1.085 10 0 CDAERP CC(C)[NH+](CCNC(=O)[C@H]1CCC[C@@H]1[NH3+])C(C)C ZINC000085355283 179030368 /nfs/dbraw/zinc/03/03/68/179030368.db2.gz ZIPSSFIJPOTBIY-STQMWFEESA-N 2 0 255.406 1.349 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085359335 179031906 /nfs/dbraw/zinc/03/19/06/179031906.db2.gz SAHPPUWCHXMEAN-AVGNSLFASA-N 2 0 255.406 1.206 10 0 CDAERP COc1ccc(F)c(C[NH2+]C[C@@H]2CCCCN2CCO)c1 ZINC000449393783 362687590 /nfs/dbraw/zinc/68/75/90/362687590.db2.gz DDSLQSMARQVIIU-AWEZNQCLSA-N 2 0 296.386 1.771 10 0 CDAERP [NH3+][C@H]1CCCC[C@H]1C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000085368806 179038721 /nfs/dbraw/zinc/03/87/21/179038721.db2.gz PMMGVMWLOICUOY-KGLIPLIRSA-N 2 0 265.401 1.058 10 0 CDAERP C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000085371879 179041837 /nfs/dbraw/zinc/04/18/37/179041837.db2.gz PXUIQZAPMHPACA-HZPDHXFCSA-N 2 0 289.423 1.882 10 0 CDAERP C[C@]1(C[NH2+]Cc2ccc(Cl)s2)COC[C@@H]1[NH3+] ZINC000085396727 179049040 /nfs/dbraw/zinc/04/90/40/179049040.db2.gz GRZYCIIPMVHZLB-ONGXEEELSA-N 2 0 260.790 1.855 10 0 CDAERP C[C@@]1(C[NH2+]Cc2ccc(Cl)s2)COC[C@@H]1[NH3+] ZINC000085396729 179049191 /nfs/dbraw/zinc/04/91/91/179049191.db2.gz GRZYCIIPMVHZLB-GXSJLCMTSA-N 2 0 260.790 1.855 10 0 CDAERP CCc1nc2c(n1C[C@H]1CCC[N@H+](C)C1)CC[NH2+]C2 ZINC000085572752 179097666 /nfs/dbraw/zinc/09/76/66/179097666.db2.gz BYYLXQNZQGHXAC-LBPRGKRZSA-N 2 0 262.401 1.433 10 0 CDAERP CN1CC[C@H]([NH2+][C@H]2CCCS(=O)(=O)C2)CC1(C)C ZINC000623423807 346470670 /nfs/dbraw/zinc/47/06/70/346470670.db2.gz RXUWPCNELIEGBP-RYUDHWBXSA-N 2 0 274.430 1.026 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CCc3n[nH]cc3C2)CC1(C)C ZINC000623426000 346475742 /nfs/dbraw/zinc/47/57/42/346475742.db2.gz XPDWPGXIVMXXBU-QWHCGFSZSA-N 2 0 262.401 1.729 10 0 CDAERP CC(C)c1nc2c(n1C1CC[NH+](C)CC1)CC[NH2+]C2 ZINC000085569832 179095974 /nfs/dbraw/zinc/09/59/74/179095974.db2.gz VLVLKLBHNYZDLZ-UHFFFAOYSA-N 2 0 262.401 1.919 10 0 CDAERP CCCc1nc2c(n1CC[N@H+](C)C1CC1)CC[NH2+]C2 ZINC000085572187 179097006 /nfs/dbraw/zinc/09/70/06/179097006.db2.gz PZHNMXMLPOAQCN-UHFFFAOYSA-N 2 0 262.401 1.576 10 0 CDAERP C[C@H](Cn1c2c(nc1C(F)(F)F)C[NH2+]CC2)[NH+](C)C ZINC000085573147 179098656 /nfs/dbraw/zinc/09/86/56/179098656.db2.gz QEJZIUDDZZSGBT-MRVPVSSYSA-N 2 0 276.306 1.498 10 0 CDAERP CC(C)[C@@H]1C[N@H+](CCCn2ccnc2)[C@@H](C)CC[NH2+]1 ZINC000085617773 179103930 /nfs/dbraw/zinc/10/39/30/179103930.db2.gz IFLZCMGNABMIBJ-GJZGRUSLSA-N 2 0 264.417 1.982 10 0 CDAERP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC000635944688 362766151 /nfs/dbraw/zinc/76/61/51/362766151.db2.gz LONQKGQJPNPVPM-OLZOCXBDSA-N 2 0 255.406 1.173 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN(C)CCC[NH3+] ZINC000566225830 370652294 /nfs/dbraw/zinc/65/22/94/370652294.db2.gz PERCYIYLCSBGOU-UHFFFAOYSA-N 2 0 259.357 1.356 10 0 CDAERP CCC[NH2+][C@@H](CCO)CN1CC[NH+](CC(C)C)CC1 ZINC000085922730 179201382 /nfs/dbraw/zinc/20/13/82/179201382.db2.gz CXQJMYXUIXVMNC-HNNXBMFYSA-N 2 0 271.449 1.011 10 0 CDAERP CN(C(=O)N[C@H]1CC12CC[NH2+]CC2)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000612968769 347347415 /nfs/dbraw/zinc/34/74/15/347347415.db2.gz BMEXGACDNTVWJQ-KGLIPLIRSA-N 2 0 292.427 1.007 10 0 CDAERP c1ccc([C@H]2CN([C@@H]3C[NH+]4CCC3CC4)CC[NH2+]2)cc1 ZINC000086124910 179235300 /nfs/dbraw/zinc/23/53/00/179235300.db2.gz PXPAYBNSBBFILN-IAGOWNOFSA-N 2 0 271.408 1.727 10 0 CDAERP C[N@@H+]1CCC[C@@H](CN2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000086145787 179238919 /nfs/dbraw/zinc/23/89/19/179238919.db2.gz BJBICZARAHOKMQ-WBVHZDCISA-N 2 0 273.424 1.975 10 0 CDAERP CC[C@@H]1C[NH2+][C@@H](C2CC2)CN1C[C@@H]1CC[N@H+](CC)C1 ZINC000086223030 179250318 /nfs/dbraw/zinc/25/03/18/179250318.db2.gz KBWYTIGPKDESSP-FVQBIDKESA-N 2 0 265.445 1.791 10 0 CDAERP CCC1(CC)CN([C@@H]2CCC[N@H+](C)C2)[C@H](C)C[NH2+]1 ZINC000086223968 179253897 /nfs/dbraw/zinc/25/38/97/179253897.db2.gz VFWIKUBSUYGWFK-ZIAGYGMSSA-N 2 0 253.434 1.933 10 0 CDAERP CCC[NH+]1CCC(N2C[C@H](C3CC3)[NH2+]C[C@@H]2C)CC1 ZINC000086227320 179254771 /nfs/dbraw/zinc/25/47/71/179254771.db2.gz YDLSBBKVGAYLSC-XJKSGUPXSA-N 2 0 265.445 1.933 10 0 CDAERP CCN(C)C(=O)[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C(C)C ZINC000623537880 347621624 /nfs/dbraw/zinc/62/16/24/347621624.db2.gz MBYRRBHFOCOXAA-KBPBESRZSA-N 2 0 283.460 1.952 10 0 CDAERP C[NH+](C)C1(C(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000614278255 348055436 /nfs/dbraw/zinc/05/54/36/348055436.db2.gz JZUUYWCXBHEOSN-UHFFFAOYSA-N 2 0 265.401 1.214 10 0 CDAERP CC[C@H]1C[N@H+](C)CCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC000614343220 348085604 /nfs/dbraw/zinc/08/56/04/348085604.db2.gz SURQKQZPCBUMPH-KBPBESRZSA-N 2 0 267.417 1.271 10 0 CDAERP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000091547245 349333276 /nfs/dbraw/zinc/33/32/76/349333276.db2.gz QHTIMAYBRLZTAU-QWHCGFSZSA-N 2 0 261.369 1.814 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1c2ccccc2C(=O)N1C ZINC000629536702 362951428 /nfs/dbraw/zinc/95/14/28/362951428.db2.gz INOGLBYFGCHGQC-WFASDCNBSA-N 2 0 275.396 1.920 10 0 CDAERP C[C@@H](CNC(=O)N[C@H]1CCC[N@H+](C)C1)[NH+]1CCC(C)CC1 ZINC000620820905 350338135 /nfs/dbraw/zinc/33/81/35/350338135.db2.gz JARAWSJOPKUVOQ-GJZGRUSLSA-N 2 0 296.459 1.500 10 0 CDAERP CO[C@H](C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)C1CCCCC1 ZINC000659850529 412552607 /nfs/dbraw/zinc/55/26/07/412552607.db2.gz RZNVJWWGIRBWKE-RBSFLKMASA-N 2 0 252.402 1.733 10 0 CDAERP COc1cccc2c1CC[C@H]([NH2+]CCOCCC[NH3+])C2 ZINC000629537874 362953993 /nfs/dbraw/zinc/95/39/93/362953993.db2.gz LEJJISUMXMCDEQ-AWEZNQCLSA-N 2 0 278.396 1.508 10 0 CDAERP C[C@@H]1CC[N@H+](CCOC2CCOCC2)C[C@H]1C[NH3+] ZINC000629538689 362955056 /nfs/dbraw/zinc/95/50/56/362955056.db2.gz OYEKHIYTUCOBGT-CHWSQXEVSA-N 2 0 256.390 1.099 10 0 CDAERP CC(=O)N1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000621773108 350769276 /nfs/dbraw/zinc/76/92/76/350769276.db2.gz GDEMIJDOONDLMR-TUVASFSCSA-N 2 0 265.401 1.070 10 0 CDAERP CCn1nccc1CC[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000621775265 350772238 /nfs/dbraw/zinc/77/22/38/350772238.db2.gz KBSYQRVUKOFPDG-CYBMUJFWSA-N 2 0 250.390 1.649 10 0 CDAERP C[NH+]1CCC(CCNC(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000333522010 363007517 /nfs/dbraw/zinc/00/75/17/363007517.db2.gz GSDLAIBZTLTQBD-AWEZNQCLSA-N 2 0 282.432 1.160 10 0 CDAERP CC(C)(C[NH2+]C[C@H](O)C[NH+]1CCCC1)[C@@H]1CCCCO1 ZINC000629567605 363017814 /nfs/dbraw/zinc/01/78/14/363017814.db2.gz PQANWGZGRLRPRT-GJZGRUSLSA-N 2 0 284.444 1.628 10 0 CDAERP CCN(C)CC[NH2+][C@H]1CCN(CCc2ccccc2)C1 ZINC000054110551 358465484 /nfs/dbraw/zinc/46/54/84/358465484.db2.gz DHXVXKBDANNICT-KRWDZBQOSA-N 2 0 275.440 1.845 10 0 CDAERP COCC[N@@H+](Cc1ccnn1C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414735621 366044398 /nfs/dbraw/zinc/04/43/98/366044398.db2.gz FXFXJSSOQCEWPT-KGLIPLIRSA-N 2 0 280.416 1.257 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCC(=O)Nc1cccnc1)C2 ZINC000629595302 363092341 /nfs/dbraw/zinc/09/23/41/363092341.db2.gz PQKIRBVHQINJLP-IYBDPMFKSA-N 2 0 288.395 1.342 10 0 CDAERP CC(C)[NH+]1CCN(CCC[NH2+][C@@H]2COCC2(C)C)CC1 ZINC000451816103 363134127 /nfs/dbraw/zinc/13/41/27/363134127.db2.gz XYRVZHWNQWHICD-OAHLLOKOSA-N 2 0 283.460 1.417 10 0 CDAERP c1nc2n(n1)[C@@H](C[N@@H+]1CC[C@@H](C[NH+]3CCCCC3)C1)CC2 ZINC000639496720 363230497 /nfs/dbraw/zinc/23/04/97/363230497.db2.gz HIDKWRJUWWDOFH-LSDHHAIUSA-N 2 0 289.427 1.573 10 0 CDAERP Cc1ncc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)o1 ZINC000628278170 363364668 /nfs/dbraw/zinc/36/46/68/363364668.db2.gz CSWYGFICKZOAKS-UHFFFAOYSA-N 2 0 292.427 1.442 10 0 CDAERP CC[C@@H](O)C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000644568231 366185718 /nfs/dbraw/zinc/18/57/18/366185718.db2.gz AMJAKDIDERYCEE-CYBMUJFWSA-N 2 0 254.349 1.748 10 0 CDAERP CN(CC[N@H+](C)C1CC1)C(=O)CC[C@H]1CCCC[NH+]1C ZINC000356282843 366215397 /nfs/dbraw/zinc/21/53/97/366215397.db2.gz NXBTZPVZIIUAIV-CQSZACIVSA-N 2 0 281.444 1.804 10 0 CDAERP COC(=O)C1(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000600147288 355917183 /nfs/dbraw/zinc/91/71/83/355917183.db2.gz FYPOWBFUOQLKDQ-NSHDSACASA-N 2 0 254.374 1.402 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](O)C2(C)C)[C@@H]2CCC[C@@H]21 ZINC000353671075 283142228 /nfs/dbraw/zinc/14/22/28/283142228.db2.gz JJLVZWLJYKLCIG-YHQUGGNUSA-N 2 0 252.402 1.608 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000036127886 356210562 /nfs/dbraw/zinc/21/05/62/356210562.db2.gz SEIIIWGGUYUSED-UHFFFAOYSA-N 2 0 275.396 1.702 10 0 CDAERP CCN1CCO[C@H](C[NH2+]Cc2ccc(F)cc2C)C1 ZINC000134440394 356307138 /nfs/dbraw/zinc/30/71/38/356307138.db2.gz IFPWIOLUXILQLY-OAHLLOKOSA-N 2 0 266.360 1.944 10 0 CDAERP C[N@@H+]1CC[C@]2(CCN(C(=O)CC[C@H]3CCCC[NH+]3C)C2)C1 ZINC000334634366 283166417 /nfs/dbraw/zinc/16/64/17/283166417.db2.gz MOCIRKCUUUZIJO-WBVHZDCISA-N 2 0 293.455 1.805 10 0 CDAERP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC000636095909 363502819 /nfs/dbraw/zinc/50/28/19/363502819.db2.gz BIMSFUSTGNQMBI-JHJVBQTASA-N 2 0 283.460 1.998 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)CC1 ZINC000636115325 363547596 /nfs/dbraw/zinc/54/75/96/363547596.db2.gz LZKCKVKICAVCGG-NEPJUHHUSA-N 2 0 267.417 1.173 10 0 CDAERP Cc1cc(C[N@H+](C)CC2CC[NH+](CCO)CC2)on1 ZINC000069928989 356665601 /nfs/dbraw/zinc/66/56/01/356665601.db2.gz JWVSINKLAACSMS-UHFFFAOYSA-N 2 0 267.373 1.119 10 0 CDAERP C[NH2+]CCC1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000070189773 356862252 /nfs/dbraw/zinc/86/22/52/356862252.db2.gz CPLISNDHFNRSQN-UHFFFAOYSA-N 2 0 281.444 1.757 10 0 CDAERP CC(C)C(=O)NCCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000367614254 357328229 /nfs/dbraw/zinc/32/82/29/357328229.db2.gz GBLDWVJHGGZEEA-ZNMIVQPWSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N(C)[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000581199664 357878756 /nfs/dbraw/zinc/87/87/56/357878756.db2.gz KJTSCGQTFHCZAD-JSGCOSHPSA-N 2 0 265.401 1.023 10 0 CDAERP C[C@H]1C[C@@H](NCc2nnc3ccccn32)CC[N@@H+]1C ZINC000127781573 358248504 /nfs/dbraw/zinc/24/85/04/358248504.db2.gz UPAHMHYCSFLEGF-RYUDHWBXSA-N 2 0 259.357 1.302 10 0 CDAERP C[NH2+][C@H](C)C(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000388524664 358417313 /nfs/dbraw/zinc/41/73/13/358417313.db2.gz QWFDYXBYWWJJMM-GDBMZVCRSA-N 2 0 289.423 1.717 10 0 CDAERP C[NH+](C)CCS[C@@H](C[NH3+])C(F)(F)C(F)(F)F ZINC000616571635 358634563 /nfs/dbraw/zinc/63/45/63/358634563.db2.gz ZTZBOAYAMOYPNP-LURJTMIESA-N 2 0 266.279 1.806 10 0 CDAERP CC[C@@]1(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCC[NH2+]1 ZINC000122230170 359045148 /nfs/dbraw/zinc/04/51/48/359045148.db2.gz JUCXBCRQQUHWMY-HUORLRHWSA-N 2 0 279.428 1.650 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)CC[C@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000261912749 359087530 /nfs/dbraw/zinc/08/75/30/359087530.db2.gz WQFSAMMXYKUXAH-ILXRZTDVSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@]1(CN(CC[NH3+])CCc2ccccc2)CC[NH2+]C1 ZINC000262033471 359125818 /nfs/dbraw/zinc/12/58/18/359125818.db2.gz OHQHYKTUEJLXCJ-INIZCTEOSA-N 2 0 261.413 1.489 10 0 CDAERP CCC[NH+]1CCC(NC(=O)COC2CCC([NH3+])CC2)CC1 ZINC000572358739 359136700 /nfs/dbraw/zinc/13/67/00/359136700.db2.gz HMZKUOURIIOLAM-UHFFFAOYSA-N 2 0 297.443 1.264 10 0 CDAERP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C1(C[NH3+])CCOCC1 ZINC000262314654 359156012 /nfs/dbraw/zinc/15/60/12/359156012.db2.gz QSFPZASPZITAFV-AWEZNQCLSA-N 2 0 297.443 1.123 10 0 CDAERP C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)[C@@H]1CCC[NH2+]C1 ZINC000572464092 359542648 /nfs/dbraw/zinc/54/26/48/359542648.db2.gz GAMFWDNNUOLMJG-ZQNQSHIBSA-N 2 0 264.413 1.922 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)[C@H](C[NH3+])c2ccc(F)cc2)CC[NH2+]1 ZINC000580429400 359614398 /nfs/dbraw/zinc/61/43/98/359614398.db2.gz CEEWNJXHIAQLAX-DDTOSNHZSA-N 2 0 279.359 1.125 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NC(C)(C)CC[NH3+] ZINC000422599186 359644292 /nfs/dbraw/zinc/64/42/92/359644292.db2.gz PRXAVHNLPHSVQS-BETUJISGSA-N 2 0 284.448 1.676 10 0 CDAERP CCOC(=O)C1([C@H](C)[NH2+][C@H]2COCC2(C)C)CC[NH2+]CC1 ZINC000423167828 359755334 /nfs/dbraw/zinc/75/53/34/359755334.db2.gz XHPWWYSPKIKSOH-STQMWFEESA-N 2 0 298.427 1.322 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000423017896 359744706 /nfs/dbraw/zinc/74/47/06/359744706.db2.gz PUKNDQPRHWWHHG-IGQOVBAYSA-N 2 0 268.401 1.288 10 0 CDAERP C([NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1)[C@H]1C[NH2+]CCCO1 ZINC000423488591 359817334 /nfs/dbraw/zinc/81/73/34/359817334.db2.gz DZKUEUWVBNWLSV-XUWVNRHRSA-N 2 0 282.428 1.550 10 0 CDAERP CN(Cc1ccc2c(c1)C[NH2+]CC2)[C@H](C[NH3+])C1CC1 ZINC000566351940 359901854 /nfs/dbraw/zinc/90/18/54/359901854.db2.gz MCAMIACWDWIPOW-MRXNPFEDSA-N 3 0 259.397 1.501 10 0 CDAERP COc1cccc([C@@H](C)[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000261795429 359910361 /nfs/dbraw/zinc/91/03/61/359910361.db2.gz YEGLQGHLDDTGQC-GDBMZVCRSA-N 2 0 289.423 1.736 10 0 CDAERP [NH3+][C@@H](C(=O)N1CCC2(CC[NH2+]2)CC1)c1ccccc1 ZINC000335419543 360246829 /nfs/dbraw/zinc/24/68/29/360246829.db2.gz VBZYMFILWZEKBZ-CYBMUJFWSA-N 2 0 259.353 1.041 10 0 CDAERP O=C(NC1CC([NH+]2CCCCC2)C1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000335475294 360332663 /nfs/dbraw/zinc/33/26/63/360332663.db2.gz AFWZBJNWDUNGPH-UJJWPFCGSA-N 2 0 277.412 1.119 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)NCC1([NH3+])CCCCCC1 ZINC000514944148 360407453 /nfs/dbraw/zinc/40/74/53/360407453.db2.gz IAPUDTXDEOYOHF-UHFFFAOYSA-N 2 0 289.423 1.969 10 0 CDAERP COC(=O)[C@H](C)C[N@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000515491268 360507792 /nfs/dbraw/zinc/50/77/92/360507792.db2.gz ZSFIGRUGYBEKFY-GFCCVEGCSA-N 2 0 276.380 1.573 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH+](CC)CC ZINC000349058213 360724557 /nfs/dbraw/zinc/72/45/57/360724557.db2.gz PUVUYAZYJOXOIT-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP O[C@H](CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C(F)(F)F ZINC000349331556 360840258 /nfs/dbraw/zinc/84/02/58/360840258.db2.gz LOOGYWKJPFFMNA-HBNTYKKESA-N 2 0 266.307 1.516 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000525681073 361261161 /nfs/dbraw/zinc/26/11/61/361261161.db2.gz DDVNOAVIKYNLRE-AWEZNQCLSA-N 2 0 267.417 1.176 10 0 CDAERP O[C@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)CC1(O)CCC1 ZINC000528394317 361323464 /nfs/dbraw/zinc/32/34/64/361323464.db2.gz ZGGAHPOBHCHCFH-HOTGVXAUSA-N 2 0 296.455 1.460 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC2(CO)CC3(CCC3)C2)C1 ZINC000519608636 361372516 /nfs/dbraw/zinc/37/25/16/361372516.db2.gz IYHBIGCDUBTNFO-CHWSQXEVSA-N 2 0 252.402 1.789 10 0 CDAERP C[C@H](Cn1cncn1)[NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000268866607 364105267 /nfs/dbraw/zinc/10/52/67/364105267.db2.gz COHKIKLAIYJHCK-INMHGKMJSA-N 2 0 299.422 1.777 10 0 CDAERP C[NH2+]C[C@H]1CCCN(C(=O)c2ccccc2CC[NH3+])C1 ZINC000566404698 370704523 /nfs/dbraw/zinc/70/45/23/370704523.db2.gz RCFWLVNXCUIKHK-CYBMUJFWSA-N 2 0 275.396 1.259 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccccc1CC[NH3+] ZINC000566408402 370706638 /nfs/dbraw/zinc/70/66/38/370706638.db2.gz ZKDKXFVAEBSSOW-WBMJQRKESA-N 2 0 287.407 1.400 10 0 CDAERP COCCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001660995775 1172317129 /nfs/dbraw/zinc/31/71/29/1172317129.db2.gz HQSNIJFIECHFFN-CQSZACIVSA-N 2 0 297.443 1.088 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCCN2CCOCC2)[C@H](C)C1 ZINC000174772000 364272134 /nfs/dbraw/zinc/27/21/34/364272134.db2.gz SNYLMUJYZZKRTF-CVEARBPZSA-N 2 0 283.460 1.371 10 0 CDAERP C[C@H]([NH3+])CCC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000248885339 364339385 /nfs/dbraw/zinc/33/93/85/364339385.db2.gz ULEAHQPFBFMOEK-MJBXVCDLSA-N 2 0 269.433 1.598 10 0 CDAERP c1nc(NCC2CC2)cc(N2CC[NH+]3CCC2CC3)n1 ZINC000302611012 364529497 /nfs/dbraw/zinc/52/94/97/364529497.db2.gz AQIVGHUQKZCDBN-UHFFFAOYSA-N 2 0 273.384 1.583 10 0 CDAERP C[C@@H](NC(=O)NCC[N@@H+]1CCCC(C)(C)C1)[C@H](C)[NH3+] ZINC000418735334 296080241 /nfs/dbraw/zinc/08/02/41/296080241.db2.gz XCUJNPAZIMCCOB-NWDGAFQWSA-N 2 0 270.421 1.143 10 0 CDAERP C[C@@]([NH3+])(C(=O)N1CC2CCC1(C[NH3+])CC2)c1ccccc1 ZINC000516578348 366887583 /nfs/dbraw/zinc/88/75/83/366887583.db2.gz HAAXFKCTUKTIHO-PWZRNIHTSA-N 2 0 287.407 1.590 10 0 CDAERP C[C@@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@H](C)[NH3+] ZINC000417678820 296085841 /nfs/dbraw/zinc/08/58/41/296085841.db2.gz KFMHQJAUZQSDEG-TUAOUCFPSA-N 2 0 272.437 1.388 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000626960359 366935271 /nfs/dbraw/zinc/93/52/71/366935271.db2.gz QIYINZADEYXRMH-ZFWWWQNUSA-N 2 0 296.459 1.691 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000626969742 367105417 /nfs/dbraw/zinc/10/54/17/367105417.db2.gz FJSVWVCHYBKFGF-QLFBSQMISA-N 2 0 296.459 1.547 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000627166076 367599751 /nfs/dbraw/zinc/59/97/51/367599751.db2.gz OUFYXWSDUSZTBE-HZSPNIEDSA-N 2 0 282.432 1.110 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000627164161 367595428 /nfs/dbraw/zinc/59/54/28/367595428.db2.gz HPDNZSLJPBMADE-UONOGXRCSA-N 2 0 294.443 1.397 10 0 CDAERP [NH3+]CCCNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000417044454 242287575 /nfs/dbraw/zinc/28/75/75/242287575.db2.gz YBFXPBSPIABEKB-HNNXBMFYSA-N 2 0 290.411 1.472 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000417050784 242293708 /nfs/dbraw/zinc/29/37/08/242293708.db2.gz XUEYFVLUOGRGKL-RDBSUJKOSA-N 2 0 284.448 1.533 10 0 CDAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000627201251 367695143 /nfs/dbraw/zinc/69/51/43/367695143.db2.gz YIANWUQBUFEGLZ-MELADBBJSA-N 2 0 282.432 1.110 10 0 CDAERP CCC(C)(C)[NH+]1CCN(C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627210465 367711243 /nfs/dbraw/zinc/71/12/43/367711243.db2.gz QIFHGAQXBRZIMT-ZIAGYGMSSA-N 2 0 296.459 1.643 10 0 CDAERP [NH3+][C@H]1CC=C(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000638076475 368086528 /nfs/dbraw/zinc/08/65/28/368086528.db2.gz YIMQRRMSIZUOIR-UONOGXRCSA-N 2 0 263.385 1.121 10 0 CDAERP C[NH2+]CCCNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000418313190 242930470 /nfs/dbraw/zinc/93/04/70/242930470.db2.gz VIPNPCUQMXFRQT-LLVKDONJSA-N 2 0 264.373 1.115 10 0 CDAERP CC[NH2+][C@H](C)CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000418603515 243265491 /nfs/dbraw/zinc/26/54/91/243265491.db2.gz OSQKNYJWFGFIDO-JHJVBQTASA-N 2 0 270.421 1.109 10 0 CDAERP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C12CCC[NH+](CCC1)C2 ZINC000638147659 368559054 /nfs/dbraw/zinc/55/90/54/368559054.db2.gz XQNDWVRUHKBNDO-CHWSQXEVSA-N 2 0 265.401 1.058 10 0 CDAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC1=[NH+]CCCN1 ZINC000630387619 368855790 /nfs/dbraw/zinc/85/57/90/368855790.db2.gz UVMRRMADDWDAHS-ZBFHGGJFSA-N 2 0 286.423 1.693 10 0 CDAERP CC[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)[NH+](CC)CC ZINC000361775650 369035706 /nfs/dbraw/zinc/03/57/06/369035706.db2.gz HSDVXCKFEDPAJS-CABCVRRESA-N 2 0 281.444 1.802 10 0 CDAERP CN(C)c1ncc(C[N@H+](C)CC[C@@H]2CCC[NH2+]C2)cn1 ZINC000420377586 244170271 /nfs/dbraw/zinc/17/02/71/244170271.db2.gz SRADPFMLVNYXAH-ZDUSSCGKSA-N 2 0 277.416 1.364 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000368238555 369405225 /nfs/dbraw/zinc/40/52/25/369405225.db2.gz BOEGUJZYLJHVTA-DOMZBBRYSA-N 2 0 285.407 1.409 10 0 CDAERP CC(C)C(=O)NCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000368609384 369536528 /nfs/dbraw/zinc/53/65/28/369536528.db2.gz XWWRFIIJLVTMLS-MGPQQGTHSA-N 2 0 267.417 1.221 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC000577624524 317370822 /nfs/dbraw/zinc/37/08/22/317370822.db2.gz MSVMOCTXTFAHNO-KFWWJZLASA-N 2 0 281.444 1.517 10 0 CDAERP C(CC[NH+]1CCOCC1)C[NH2+]CCC1CCOCC1 ZINC000638371753 369556734 /nfs/dbraw/zinc/55/67/34/369556734.db2.gz VSFORYCMSWMLLU-UHFFFAOYSA-N 2 0 270.417 1.505 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CCC[C@@H](C)C2)C1 ZINC000249760961 370182878 /nfs/dbraw/zinc/18/28/78/370182878.db2.gz LIJRIMFMLMWJAX-HUUCEWRRSA-N 2 0 296.459 1.502 10 0 CDAERP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000251600330 370201156 /nfs/dbraw/zinc/20/11/56/370201156.db2.gz DBSOYUILSIBZDY-MJBXVCDLSA-N 2 0 265.401 1.071 10 0 CDAERP [NH3+]C1(CNC(=O)NC[C@H]2CCC[NH2+]C2)CCCCCC1 ZINC000418281928 370445531 /nfs/dbraw/zinc/44/55/31/370445531.db2.gz FTDGVTPXHHBUDC-ZDUSSCGKSA-N 2 0 282.432 1.337 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCc2cnc(C3CC3)nc2)C1 ZINC000565492848 370460350 /nfs/dbraw/zinc/46/03/50/370460350.db2.gz XTOXQLRXDRKNNF-ZIAGYGMSSA-N 2 0 260.385 1.756 10 0 CDAERP CSC[C@@H](O)C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000566117827 370615293 /nfs/dbraw/zinc/61/52/93/370615293.db2.gz UVGKGOCWRYGBAR-ZDUSSCGKSA-N 2 0 286.416 1.701 10 0 CDAERP CC[N@H+](C)C[C@H](O)C[NH2+][C@@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000567624040 371070611 /nfs/dbraw/zinc/07/06/11/371070611.db2.gz CEEILWGMDAEECB-FMKPAKJESA-N 2 0 286.460 1.466 10 0 CDAERP COc1cccc(N2CCC[C@@H]([NH2+][C@H](C)C3C[NH2+]C3)C2)c1 ZINC000422764804 245227985 /nfs/dbraw/zinc/22/79/85/245227985.db2.gz QJGRMKQHDZVEKG-UKRRQHHQSA-N 2 0 289.423 1.862 10 0 CDAERP CC[C@@H](Cn1cncn1)[NH2+]CCCCC[NH+]1CCCC1 ZINC000340476632 371085872 /nfs/dbraw/zinc/08/58/72/371085872.db2.gz IYKSJEYQQGXNBW-HNNXBMFYSA-N 2 0 279.432 1.912 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000422789796 245257457 /nfs/dbraw/zinc/25/74/57/245257457.db2.gz WYWFQENTXXWEMV-RWMBFGLXSA-N 2 0 265.405 1.104 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+]Cc1cccnc1N(C)C ZINC000422866270 245352183 /nfs/dbraw/zinc/35/21/83/245352183.db2.gz PZLDEFLRPZUHQH-LBPRGKRZSA-N 2 0 250.390 1.755 10 0 CDAERP COc1nccnc1CN1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000295599092 371363475 /nfs/dbraw/zinc/36/34/75/371363475.db2.gz CRXNATHNBPFFPN-JSGCOSHPSA-N 2 0 276.384 1.401 10 0 CDAERP CCC[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CCC)C1)[NH+](C)C ZINC000123226153 371335721 /nfs/dbraw/zinc/33/57/21/371335721.db2.gz DOPRPDYLPPXQFI-LSDHHAIUSA-N 2 0 283.460 1.907 10 0 CDAERP COC[C@H](C)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000573249273 371474254 /nfs/dbraw/zinc/47/42/54/371474254.db2.gz CAZFHVUAVSETBR-CQSZACIVSA-N 2 0 271.449 1.227 10 0 CDAERP CC(C)[C@H](C[NH2+][C@@H]1C[C@@H](C)[C@@H]1C)N1CC[NH+](C)CC1 ZINC000336819059 371641441 /nfs/dbraw/zinc/64/14/41/371641441.db2.gz YBHUKCLKOTUHBX-QXSJWSMHSA-N 2 0 267.461 1.893 10 0 CDAERP Cc1cc[nH+]c(NC[C@@H]2CCN(Cc3ncnn3C)C2)c1 ZINC000377984118 371779871 /nfs/dbraw/zinc/77/98/71/371779871.db2.gz BPHGJFFPXGLXBB-ZDUSSCGKSA-N 2 0 286.383 1.453 10 0 CDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@]2(C)CC[NH2+]C2)CC1 ZINC000262114185 296181915 /nfs/dbraw/zinc/18/19/15/296181915.db2.gz WVIJWHONRATTNQ-GDBMZVCRSA-N 3 0 283.460 1.011 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000333167400 205086163 /nfs/dbraw/zinc/08/61/63/205086163.db2.gz HOZKNHABSTXPPM-CABCVRRESA-N 2 0 296.459 1.406 10 0 CDAERP [NH3+][C@H](CNC(=O)NCC[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000418345977 372813275 /nfs/dbraw/zinc/81/32/75/372813275.db2.gz MDODMDFHMCWXIY-DZGCQCFKSA-N 2 0 290.411 1.375 10 0 CDAERP O=C(CC1CC[NH2+]CC1)N1CCC[N@@H+](C2CC2)CC1 ZINC000178747591 372978101 /nfs/dbraw/zinc/97/81/01/372978101.db2.gz JMHKELQIAUJLPY-UHFFFAOYSA-N 2 0 265.401 1.073 10 0 CDAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000333451244 205330378 /nfs/dbraw/zinc/33/03/78/205330378.db2.gz XNWICEVYTZSUGY-RDBSUJKOSA-N 2 0 282.432 1.014 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000645684759 373239985 /nfs/dbraw/zinc/23/99/85/373239985.db2.gz FFLJBQVOXRBTBO-BFHYXJOUSA-N 2 0 267.417 1.495 10 0 CDAERP C[C@@H]([NH2+]CC[C@H](O)C(F)F)C1CC[NH+](C)CC1 ZINC000631697558 373579531 /nfs/dbraw/zinc/57/95/31/373579531.db2.gz NEYIJROVLUIAPZ-KOLCDFICSA-N 2 0 250.333 1.322 10 0 CDAERP Cc1nccnc1CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000631823083 373707207 /nfs/dbraw/zinc/70/72/07/373707207.db2.gz VVFPCNVEUNGRIK-ZIAGYGMSSA-N 2 0 260.385 1.749 10 0 CDAERP C[C@@H]1CN(CC(=O)Nc2ccc(F)cc2F)C[C@H]1C[NH3+] ZINC000631843080 373885384 /nfs/dbraw/zinc/88/53/84/373885384.db2.gz JEWLRLWTBGHKAD-NXEZZACHSA-N 2 0 283.322 1.430 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCN1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000640044726 374087453 /nfs/dbraw/zinc/08/74/53/374087453.db2.gz ZVMUWHFPLQTQCG-SDDRHHMPSA-N 2 0 280.334 1.573 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000041680244 374329804 /nfs/dbraw/zinc/32/98/04/374329804.db2.gz JIMRIAPHFNOPIW-KKUMJFAQSA-N 2 0 281.444 1.707 10 0 CDAERP OCc1ccc(F)c(CN2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000631890352 374655798 /nfs/dbraw/zinc/65/57/98/374655798.db2.gz OXVWPXISBCXWFN-XJKSGUPXSA-N 2 0 278.371 1.892 10 0 CDAERP C[NH+]1CCN(CCC[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000638849265 375086403 /nfs/dbraw/zinc/08/64/03/375086403.db2.gz ROWAQUIJLGPBAJ-OWCLPIDISA-N 2 0 265.445 1.650 10 0 CDAERP COCC(C)(C)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000426423551 247023801 /nfs/dbraw/zinc/02/38/01/247023801.db2.gz YQYUEOXGCKYWRN-MRXNPFEDSA-N 2 0 297.487 1.761 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000417006703 375715022 /nfs/dbraw/zinc/71/50/22/375715022.db2.gz KCEJSCDFSRQUPH-XQQFMLRXSA-N 2 0 270.421 1.095 10 0 CDAERP CC[C@@H]([NH3+])CNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000417203772 375734549 /nfs/dbraw/zinc/73/45/49/375734549.db2.gz ZFOIGVFMNRHGRE-CABCVRRESA-N 2 0 292.427 1.196 10 0 CDAERP C[N@H+]1C[C@H]2CN(CCOc3ccccc3F)C[C@H]2C1 ZINC000193657778 375889374 /nfs/dbraw/zinc/88/93/74/375889374.db2.gz SNJFTXAXFOGACS-BETUJISGSA-N 2 0 264.344 1.698 10 0 CDAERP CN(Cc1cccs1)C(=O)CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193656345 375889911 /nfs/dbraw/zinc/88/99/11/375889911.db2.gz FCHCLFQZUKULED-BETUJISGSA-N 2 0 293.436 1.200 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[NH+](C3CC3)CC2)C1 ZINC000194671673 375947045 /nfs/dbraw/zinc/94/70/45/375947045.db2.gz XTJCQCUBJLJGAY-CQSZACIVSA-N 2 0 294.443 1.350 10 0 CDAERP C[N@@H+]1CCC[C@H]2CN(CCC[NH+]3CCCC3)CC[C@H]21 ZINC000245582501 376097207 /nfs/dbraw/zinc/09/72/07/376097207.db2.gz CZFRKZLMOIWFRE-JKSUJKDBSA-N 2 0 265.445 1.888 10 0 CDAERP C[NH+](C)CC[C@](C)(O)CNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000419991086 376213521 /nfs/dbraw/zinc/21/35/21/376213521.db2.gz GNLJGSNCBBZFSD-ZBFHGGJFSA-N 2 0 299.459 1.070 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@@H](C)C[NH2+]C)CC1 ZINC000638976019 376323293 /nfs/dbraw/zinc/32/32/93/376323293.db2.gz SJKWYVSYHZJTQW-LBPRGKRZSA-N 2 0 255.406 1.175 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)CCC[NH2+]C)CC1 ZINC000638976332 376324829 /nfs/dbraw/zinc/32/48/29/376324829.db2.gz WOYUMTLGFRUXSU-UHFFFAOYSA-N 2 0 255.406 1.319 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)NC[C@H]([NH3+])CC)CC1 ZINC000417393077 376341515 /nfs/dbraw/zinc/34/15/15/376341515.db2.gz PYBBVICORQUYAP-CYBMUJFWSA-N 2 0 270.421 1.145 10 0 CDAERP O=C(CC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)NC1CCCC1 ZINC000420382393 376344526 /nfs/dbraw/zinc/34/45/26/376344526.db2.gz SDEQGTAUHZXQQI-INIZCTEOSA-N 2 0 279.428 1.511 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH+](CC)CC)C2)CC[N@@H+]1C ZINC000631550329 376360518 /nfs/dbraw/zinc/36/05/18/376360518.db2.gz POLHNYCGNNEPLK-HRCADAONSA-N 2 0 295.471 1.907 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000246321477 376626131 /nfs/dbraw/zinc/62/61/31/376626131.db2.gz MYYHUTKHZGYSQY-KFWWJZLASA-N 2 0 298.475 1.698 10 0 CDAERP O=C1[C@H]([NH+]2CCC3(CC[NH2+]C3)CC2)CCN1C1CCC1 ZINC000631826664 376659034 /nfs/dbraw/zinc/65/90/34/376659034.db2.gz TZRBXKAMYZVBAE-CQSZACIVSA-N 2 0 277.412 1.215 10 0 CDAERP CCCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631841035 376694072 /nfs/dbraw/zinc/69/40/72/376694072.db2.gz HMPFAEIDIRGLEK-AGIUHOORSA-N 2 0 255.406 1.208 10 0 CDAERP CC(C)[C@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CCN1C ZINC000631880552 376769266 /nfs/dbraw/zinc/76/92/66/376769266.db2.gz XXPHYRZLFSPDQD-LSDHHAIUSA-N 2 0 253.434 1.648 10 0 CDAERP CC(C[NH+](C)C[C@H]1CCCO1)C[N@H+](C)C[C@H]1CCCO1 ZINC000246411229 376771832 /nfs/dbraw/zinc/77/18/32/376771832.db2.gz RUQUFIRTWSMKSZ-HZPDHXFCSA-N 2 0 284.444 1.844 10 0 CDAERP CCNC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@H+](CC)C[C@H]2C)C1 ZINC000246402531 376772275 /nfs/dbraw/zinc/77/22/75/376772275.db2.gz LUVCIMRLAIPTTR-RDBSUJKOSA-N 2 0 282.432 1.110 10 0 CDAERP CC[NH+](CC)CCCNC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000416820701 284600835 /nfs/dbraw/zinc/60/08/35/284600835.db2.gz SQBKCOUEQLKZMQ-QWHCGFSZSA-N 2 0 270.421 1.016 10 0 CDAERP CCN1CC[C@H]([N@H+](C)C[C@H](C)CS(C)(=O)=O)[C@H](C)C1 ZINC000246626742 376961951 /nfs/dbraw/zinc/96/19/51/376961951.db2.gz SMTDKQFMADLZBS-MJBXVCDLSA-N 2 0 290.473 1.329 10 0 CDAERP CC[N@H+](CCNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C(C)C ZINC000417466325 377340802 /nfs/dbraw/zinc/34/08/02/377340802.db2.gz UFSMIUBUZYAVFF-OKILXGFUSA-N 2 0 282.432 1.253 10 0 CDAERP [NH3+]C1(CNC(=O)NCC[N@H+]2CC=CCC2)CCCCCC1 ZINC000575355069 295095852 /nfs/dbraw/zinc/09/58/52/295095852.db2.gz VPSODFYSKFIGCH-UHFFFAOYSA-N 2 0 294.443 1.599 10 0 CDAERP Cn1cncc1CCC[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000572056294 377674998 /nfs/dbraw/zinc/67/49/98/377674998.db2.gz RIFSBNFMSYEYRX-OAHLLOKOSA-N 2 0 279.384 1.234 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](C)C(C)(C)C2)CC[N@@H+]1C ZINC000632850969 377929903 /nfs/dbraw/zinc/92/99/03/377929903.db2.gz KSUPZHQOAZNGLS-QWHCGFSZSA-N 2 0 267.417 1.269 10 0 CDAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000165644352 377932793 /nfs/dbraw/zinc/93/27/93/377932793.db2.gz GLJRGALAFPILGL-JKSUJKDBSA-N 2 0 289.423 1.418 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000193295060 378286819 /nfs/dbraw/zinc/28/68/19/378286819.db2.gz FXXJLVVDPZJSRX-CQSZACIVSA-N 2 0 281.444 1.838 10 0 CDAERP CC(C)[NH2+]C1CC[NH+](CC2(O)CCSCC2)CC1 ZINC000660064378 412901763 /nfs/dbraw/zinc/90/17/63/412901763.db2.gz NQRLFRVLYKRWPT-UHFFFAOYSA-N 2 0 272.458 1.707 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000634133432 379068655 /nfs/dbraw/zinc/06/86/55/379068655.db2.gz FHPQKSAMPHDCMH-ZIAGYGMSSA-N 2 0 284.448 1.500 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000657572769 412904224 /nfs/dbraw/zinc/90/42/24/412904224.db2.gz FPGWUIBXJWQGTP-YESZJQIVSA-N 3 0 296.503 1.475 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@@H]2CN(C)C[C@@H]2C)CC1 ZINC000344204550 379253737 /nfs/dbraw/zinc/25/37/37/379253737.db2.gz ADIXAZXRSZJZDF-DZGCQCFKSA-N 3 0 253.434 1.648 10 0 CDAERP C[C@@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245992773 379375146 /nfs/dbraw/zinc/37/51/46/379375146.db2.gz AJIOEZTVSIWSRQ-RFQIPJPRSA-N 2 0 267.417 1.410 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001662685357 1172581025 /nfs/dbraw/zinc/58/10/25/1172581025.db2.gz HZCOEABGDCUMCN-JKSUJKDBSA-N 2 0 295.471 1.812 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655926297 412944763 /nfs/dbraw/zinc/94/47/63/412944763.db2.gz DJWGZKHFNQIWIF-VHSXEESVSA-N 2 0 298.353 1.296 10 0 CDAERP O=C(C[C@H]1[NH2+]Cc2ccccc21)NCCNc1cc[nH+]cc1 ZINC000662394758 412955349 /nfs/dbraw/zinc/95/53/49/412955349.db2.gz MEXVTYDJZIDRQY-MRXNPFEDSA-N 2 0 296.374 1.266 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(CCCO)C2)[C@H]2CCC[C@@H]21 ZINC000453286020 252296452 /nfs/dbraw/zinc/29/64/52/252296452.db2.gz ILQKRDWDFIXISN-NCOADZHNSA-N 2 0 295.471 1.296 10 0 CDAERP COCC[N@@H+]1CCC[C@H]1CN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422702543 285038276 /nfs/dbraw/zinc/03/82/76/285038276.db2.gz KYVCVGQPOPBJIS-SOUVJXGZSA-N 2 0 269.433 1.217 10 0 CDAERP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NCC1=CC[NH2+]CC1 ZINC000186328040 140059534 /nfs/dbraw/zinc/05/95/34/140059534.db2.gz RFMRJFVOCHJYOF-KBPBESRZSA-N 2 0 265.401 1.320 10 0 CDAERP C[NH2+]C1CCN(C(=O)C[C@@H](C[NH3+])CC(C)C)CC1 ZINC000662416370 412988065 /nfs/dbraw/zinc/98/80/65/412988065.db2.gz XLMCZOXCVRYLAN-LBPRGKRZSA-N 2 0 255.406 1.208 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)[C@H]1C ZINC000494896512 253667543 /nfs/dbraw/zinc/66/75/43/253667543.db2.gz GVVWBWMGFSMMSU-IJEWVQPXSA-N 2 0 288.439 1.968 10 0 CDAERP CC(C)(C)[NH2+]CCNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653347299 412998174 /nfs/dbraw/zinc/99/81/74/412998174.db2.gz ZSAKSIREJRWITP-NEPJUHHUSA-N 2 0 253.390 1.021 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)C2([NH2+]C3CC3)CCC2)cc1 ZINC000662426553 413003247 /nfs/dbraw/zinc/00/32/47/413003247.db2.gz UMAMYRWLHQXGHU-LBPRGKRZSA-N 2 0 287.407 1.997 10 0 CDAERP CC(C)CC[C@@H](C)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000517088992 390151028 /nfs/dbraw/zinc/15/10/28/390151028.db2.gz CPORFTKRGRINGK-CABCVRRESA-N 2 0 271.449 1.009 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](C)C[C@H]21 ZINC000646918969 390289264 /nfs/dbraw/zinc/28/92/64/390289264.db2.gz BYBXGVSIZPSSHM-BFHYXJOUSA-N 2 0 265.401 1.023 10 0 CDAERP C[C@H](C(=O)N1CC[C@@H]2C[NH+](C)C[C@@H]21)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000646919587 390291089 /nfs/dbraw/zinc/29/10/89/390291089.db2.gz JCXBXSAORMITLT-KHMAMNHCSA-N 2 0 279.428 1.410 10 0 CDAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](N[C@@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000358263841 390510116 /nfs/dbraw/zinc/51/01/16/390510116.db2.gz HOUMOIQGVSYEBN-WCVJEAGWSA-N 2 0 265.445 1.932 10 0 CDAERP CCc1nccn1[C@@H]1CCC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC000116278679 390818941 /nfs/dbraw/zinc/81/89/41/390818941.db2.gz FXDFXTBBYKKVSZ-CHWSQXEVSA-N 2 0 276.384 1.313 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CC2CC2)CC1 ZINC000156293950 390921807 /nfs/dbraw/zinc/92/18/07/390921807.db2.gz GAWYZHZWMCGETG-HNNXBMFYSA-N 2 0 251.418 1.498 10 0 CDAERP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1ccc(CO)c(F)c1 ZINC000415091173 391012791 /nfs/dbraw/zinc/01/27/91/391012791.db2.gz PUGYETSPWRNTOS-FZMZJTMJSA-N 2 0 266.360 1.938 10 0 CDAERP Cc1cc(NC(=O)N[C@@H]2CC[NH2+]C23CCCC3)c(C)cn1 ZINC000647474901 390965596 /nfs/dbraw/zinc/96/55/96/390965596.db2.gz QQQIGRPHGLACGY-CQSZACIVSA-N 2 0 288.395 1.917 10 0 CDAERP Cc1ccc(O)c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000228533622 391010280 /nfs/dbraw/zinc/01/02/80/391010280.db2.gz GMXUZUJHXNSTSA-YNEHKIRRSA-N 2 0 261.369 1.655 10 0 CDAERP Cc1cc(C[NH2+]CCN2CCC([NH+](C)C)CC2)ccn1 ZINC000527670929 391079824 /nfs/dbraw/zinc/07/98/24/391079824.db2.gz RNIXZJKQLDOHGX-UHFFFAOYSA-N 2 0 276.428 1.506 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCN1CCCC[C@@H]1C(=[NH2+])NO ZINC000376078239 391213043 /nfs/dbraw/zinc/21/30/43/391213043.db2.gz DDGVIKCFUZVBIC-NWDGAFQWSA-N 2 0 254.378 1.281 10 0 CDAERP CCC(CC)(C[NH3+])C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000648104714 391338750 /nfs/dbraw/zinc/33/87/50/391338750.db2.gz KESLQQUVASAJPA-ZIAGYGMSSA-N 2 0 281.444 1.742 10 0 CDAERP CCOCC[NH+]1CCN(C[C@@H]([NH3+])CC(C)C)CC1 ZINC000414682589 391343132 /nfs/dbraw/zinc/34/31/32/391343132.db2.gz YOSULHABUGSYGM-AWEZNQCLSA-N 2 0 257.422 1.014 10 0 CDAERP O=C(N[C@H]1C[NH2+]CCC1(F)F)c1ccc2c(c1)C[NH2+]C2 ZINC000335653459 391462979 /nfs/dbraw/zinc/46/29/79/391462979.db2.gz IPLLHJMSENFLEF-LBPRGKRZSA-N 2 0 281.306 1.017 10 0 CDAERP CC(C)n1cncc1CN1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000425335262 391468994 /nfs/dbraw/zinc/46/89/94/391468994.db2.gz HSVAJNQTFSKGIS-KBPBESRZSA-N 2 0 280.416 1.351 10 0 CDAERP Cc1sccc1CC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000526072299 391475734 /nfs/dbraw/zinc/47/57/34/391475734.db2.gz SAHRUZOSBBCOPW-UHFFFAOYSA-N 2 0 297.468 1.551 10 0 CDAERP CS[C@@H]1CC[C@H]1[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000425353586 391483350 /nfs/dbraw/zinc/48/33/50/391483350.db2.gz ITSKWZGHRDJALG-RBSFLKMASA-N 2 0 285.501 1.742 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417842011 391506362 /nfs/dbraw/zinc/50/63/62/391506362.db2.gz GFFBHCDCKMOFMW-MJBXVCDLSA-N 2 0 279.428 1.223 10 0 CDAERP NC(=[NH2+])NCCC[C@@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000006117792 391509114 /nfs/dbraw/zinc/50/91/14/391509114.db2.gz NMPAXZOTIQZCEM-ZDUSSCGKSA-N 2 0 271.368 1.618 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000418549734 391517884 /nfs/dbraw/zinc/51/78/84/391517884.db2.gz AASUUKJGZRBLPX-ILXRZTDVSA-N 2 0 296.459 1.358 10 0 CDAERP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1=O ZINC000358195873 391542901 /nfs/dbraw/zinc/54/29/01/391542901.db2.gz CYAMLCSMNCHNMZ-SEBNEYGDSA-N 2 0 277.412 1.212 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H]2C[C@H](C)CC[NH2+]2)cc1 ZINC000417808285 391495432 /nfs/dbraw/zinc/49/54/32/391495432.db2.gz FJUSLPCBTUQLKX-XUJVJEKNSA-N 2 0 275.396 1.711 10 0 CDAERP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH+]2C)C[C@@H]1N1CCOCC1 ZINC000162199922 391622068 /nfs/dbraw/zinc/62/20/68/391622068.db2.gz REGXEDOGAYLOML-PMPSAXMXSA-N 2 0 281.444 1.123 10 0 CDAERP COCC[N@H+](C)CCCC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000340289820 391607915 /nfs/dbraw/zinc/60/79/15/391607915.db2.gz RARKEJBSBRJWHO-MRXNPFEDSA-N 2 0 284.444 1.846 10 0 CDAERP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCO1 ZINC000647799556 391661694 /nfs/dbraw/zinc/66/16/94/391661694.db2.gz KGRDFHSSUYDBSA-XLWJZTARSA-N 2 0 252.402 1.922 10 0 CDAERP C[C@H]([NH3+])CCC(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000193298761 391741295 /nfs/dbraw/zinc/74/12/95/391741295.db2.gz PFMWSUBUUSZHHK-GXTWGEPZSA-N 2 0 269.433 1.741 10 0 CDAERP C[C@@H]1C[N@H+](C)C[C@H]1NC1CC[NH+](CC2CC2)CC1 ZINC000341875859 130102443 /nfs/dbraw/zinc/10/24/43/130102443.db2.gz DINPUPORNGCWOM-IUODEOHRSA-N 2 0 251.418 1.401 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H](CO)C(C)C ZINC000342216305 130389458 /nfs/dbraw/zinc/38/94/58/130389458.db2.gz QFODGBJBVNAJHB-HNNXBMFYSA-N 2 0 288.395 1.930 10 0 CDAERP CC[NH2+]Cc1cccc(NC(=O)COC2(C)C[NH2+]C2)c1 ZINC000647661324 391826348 /nfs/dbraw/zinc/82/63/48/391826348.db2.gz FRMIIHHDEDEPMU-UHFFFAOYSA-N 2 0 277.368 1.113 10 0 CDAERP C[N@@H+]1CC[C@]2(CC[NH+](CCC[C@@H]3CCOC3)C2)C1 ZINC000645922463 391982305 /nfs/dbraw/zinc/98/23/05/391982305.db2.gz YKWBALSOSDBGAE-CABCVRRESA-N 2 0 252.402 1.831 10 0 CDAERP CCOCC[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000069901451 392005545 /nfs/dbraw/zinc/00/55/45/392005545.db2.gz QYQWOPIYNKVMMS-CYBMUJFWSA-N 2 0 258.406 1.048 10 0 CDAERP C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000649341949 392070650 /nfs/dbraw/zinc/07/06/50/392070650.db2.gz CELQJPDPBQMAQK-KFWWJZLASA-N 2 0 281.444 1.742 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000648893781 392157230 /nfs/dbraw/zinc/15/72/30/392157230.db2.gz ANUQIEZCONSGRV-HOCLYGCPSA-N 2 0 293.455 1.994 10 0 CDAERP CCn1c(C)nnc1CN1CCC(CC[NH+](C)C)CC1 ZINC000195432299 392096534 /nfs/dbraw/zinc/09/65/34/392096534.db2.gz VUGUOXZWDKPVMV-UHFFFAOYSA-N 2 0 279.432 1.770 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCn2cc(C)cn2)[C@@H](C)C1 ZINC000336808901 392097102 /nfs/dbraw/zinc/09/71/02/392097102.db2.gz SKFJGIOXLGVJTL-LSDHHAIUSA-N 2 0 264.417 1.854 10 0 CDAERP c1ccn2c(c1)nnc2C1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000649411441 392194916 /nfs/dbraw/zinc/19/49/16/392194916.db2.gz YFLHFLYUMUIGPS-ZDUSSCGKSA-N 2 0 285.395 1.518 10 0 CDAERP CC1CC[NH+](CCCN[C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000422775606 392258114 /nfs/dbraw/zinc/25/81/14/392258114.db2.gz CBLIQCFOCOGTQX-DLBZAZTESA-N 2 0 295.471 1.465 10 0 CDAERP C[C@H](NCC[NH+]1[C@H](C)CCC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422890478 392270550 /nfs/dbraw/zinc/27/05/50/392270550.db2.gz SKMQVGNANLWLPK-KBXIAJHMSA-N 2 0 253.434 1.979 10 0 CDAERP CC1=CC[N@H+](CCN[C@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000423040485 392292751 /nfs/dbraw/zinc/29/27/51/392292751.db2.gz UHJOIRKRPDWFMA-HUUCEWRRSA-N 2 0 251.418 1.759 10 0 CDAERP C[C@H]([NH2+][C@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C)C1C[NH2+]C1 ZINC000423099647 392343034 /nfs/dbraw/zinc/34/30/34/392343034.db2.gz MCRKKDQVVOLTSU-ZENOOKHLSA-N 2 0 287.407 1.374 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000423100784 392344374 /nfs/dbraw/zinc/34/43/74/392344374.db2.gz HMSYBOAQOQSBLP-LLVKDONJSA-N 2 0 289.326 1.527 10 0 CDAERP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H](CO)c1cccnc1 ZINC000423126754 392365290 /nfs/dbraw/zinc/36/52/90/392365290.db2.gz OTFDFTPMAPBXCT-WBAXXEDZSA-N 2 0 299.418 1.706 10 0 CDAERP C[C@H]1CCC[N@H+](CCNC(=O)c2ccccc2CC[NH3+])C1 ZINC000568152773 392375344 /nfs/dbraw/zinc/37/53/44/392375344.db2.gz JWRCVQNXYWBXBZ-AWEZNQCLSA-N 2 0 289.423 1.650 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccnc(C(F)(F)F)c1 ZINC000423151843 392391145 /nfs/dbraw/zinc/39/11/45/392391145.db2.gz CZFQQXZPQOKXIW-NSHDSACASA-N 2 0 291.317 1.944 10 0 CDAERP Cn1cc2c(n1)CCC[C@H]2[NH2+]CCCNCc1cccnc1 ZINC000423186601 392426763 /nfs/dbraw/zinc/42/67/63/392426763.db2.gz LDMYLSLRZXEXCR-MRXNPFEDSA-N 2 0 299.422 1.962 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000458239613 392437714 /nfs/dbraw/zinc/43/77/14/392437714.db2.gz ZNAJGUHGMWYVIV-UHFFFAOYSA-N 2 0 289.383 1.474 10 0 CDAERP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000423167662 392405699 /nfs/dbraw/zinc/40/56/99/392405699.db2.gz FKSIASZTVRPEHU-HIFRSBDPSA-N 3 0 258.369 1.941 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C(N)=O)C2)[C@@H]2CCC[C@@H]21 ZINC000517294893 392871658 /nfs/dbraw/zinc/87/16/58/392871658.db2.gz AETBXNUXNKTBIZ-NDKCEZKHSA-N 2 0 265.401 1.103 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)CC(F)(F)CN)cc1 ZINC000521637020 393034564 /nfs/dbraw/zinc/03/45/64/393034564.db2.gz PGMBJGFUUVLCOC-SECBINFHSA-N 2 0 271.311 1.307 10 0 CDAERP CCCn1cc(CN2CCC[C@H](C)[C@@H]2C[NH3+])cn1 ZINC000220214467 140168083 /nfs/dbraw/zinc/16/80/83/140168083.db2.gz FFSTYODRPFNZPC-JSGCOSHPSA-N 2 0 250.390 1.852 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCc2ccccc2C1 ZINC000234704267 140230934 /nfs/dbraw/zinc/23/09/34/140230934.db2.gz UPBKHAVJIKKDSY-HOTGVXAUSA-N 2 0 262.397 1.887 10 0 CDAERP C[NH+](C)C1CCN(CC[NH2+][C@H]2COC3(CCC3)C2)CC1 ZINC000657899021 413078153 /nfs/dbraw/zinc/07/81/53/413078153.db2.gz SQWNESXOBMUIHJ-CQSZACIVSA-N 2 0 281.444 1.314 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH2+]C2CCN(C(=O)C(C)C)CC2)[C@@H](C)C1 ZINC000247045794 140286765 /nfs/dbraw/zinc/28/67/65/140286765.db2.gz MYJRTSJHLXPNAN-GOEBONIOSA-N 2 0 295.471 1.953 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000250250321 140303553 /nfs/dbraw/zinc/30/35/53/140303553.db2.gz NFRMHAVIXBNIBC-GJZGRUSLSA-N 2 0 273.380 1.502 10 0 CDAERP C[NH2+]C[C@@H](C)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261549131 140344779 /nfs/dbraw/zinc/34/47/79/140344779.db2.gz OFQNULUWNFAJJA-ZBFHGGJFSA-N 2 0 289.423 1.575 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CC[C@H]1CCC[NH2+]1 ZINC000261572540 140352329 /nfs/dbraw/zinc/35/23/29/140352329.db2.gz AGOHULVABJGGMD-MCIONIFRSA-N 2 0 265.401 1.214 10 0 CDAERP Cc1nsc(N2CCCN(C[C@@]3(C)CC[NH2+]C3)CC2)n1 ZINC000261729266 140381067 /nfs/dbraw/zinc/38/10/67/140381067.db2.gz GYRUQOUUYDOGLR-AWEZNQCLSA-N 2 0 295.456 1.358 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001663619773 1172735769 /nfs/dbraw/zinc/73/57/69/1172735769.db2.gz FUWUIJPSUOPAGR-AWEZNQCLSA-N 2 0 267.417 1.176 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000662592224 413161943 /nfs/dbraw/zinc/16/19/43/413161943.db2.gz IFDWPYMZBSWWNR-FRRDWIJNSA-N 2 0 267.417 1.350 10 0 CDAERP C[NH2+][C@@H](CC(C)(C)C)C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000387557327 397715680 /nfs/dbraw/zinc/71/56/80/397715680.db2.gz WKYDNWACDHQPSU-UONOGXRCSA-N 2 0 281.444 1.563 10 0 CDAERP CC[N@@H+]1CCCN(C(=O)NCCC[NH+](C)CC(C)C)CC1 ZINC000651193567 397872615 /nfs/dbraw/zinc/87/26/15/397872615.db2.gz ACLNVDIYOLYYJS-UHFFFAOYSA-N 2 0 298.475 1.702 10 0 CDAERP CC(C)C[C@@H](C)C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685357 397897338 /nfs/dbraw/zinc/89/73/38/397897338.db2.gz YKBPJRBVEZEOIQ-CQSZACIVSA-N 2 0 269.433 1.374 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000300409198 398095061 /nfs/dbraw/zinc/09/50/61/398095061.db2.gz PBEMEMUEEIGELR-AVGNSLFASA-N 2 0 255.406 1.208 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC1(C[NH3+])CCCCC1 ZINC000185359608 297092899 /nfs/dbraw/zinc/09/28/99/297092899.db2.gz GMYUWSBRPCEHDI-HUUCEWRRSA-N 2 0 293.455 1.981 10 0 CDAERP CC(C)[NH+]1CCC(N(C)C(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000091548266 146985687 /nfs/dbraw/zinc/98/56/87/146985687.db2.gz BLWYAEXUHYIUFV-STQMWFEESA-N 2 0 267.417 1.445 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000662620798 413205320 /nfs/dbraw/zinc/20/53/20/413205320.db2.gz BMXWDSXNIVUGIO-AWEZNQCLSA-N 2 0 275.396 1.748 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000105148557 147214887 /nfs/dbraw/zinc/21/48/87/147214887.db2.gz OOWVWIMVBWDDNL-KBPBESRZSA-N 2 0 298.475 1.745 10 0 CDAERP CC[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)[C@@H]1CCOC1 ZINC000658110076 413209094 /nfs/dbraw/zinc/20/90/94/413209094.db2.gz ZQEOYGDOYOOCKC-ARFHVFGLSA-N 2 0 285.476 1.663 10 0 CDAERP CC[C@H](F)C[NH2+]CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001664044222 1172804909 /nfs/dbraw/zinc/80/49/09/1172804909.db2.gz SKWNKFFHVPPVAM-ZDUSSCGKSA-N 2 0 285.407 1.411 10 0 CDAERP C[C@H]1C[C@@H](C[NH2+]CCN(C)C(=O)CCC[NH+](C)C)CCO1 ZINC001664146789 1172817558 /nfs/dbraw/zinc/81/75/58/1172817558.db2.gz QZDGZBBISGUJIB-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@H](F)CC[NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001664186706 1172820954 /nfs/dbraw/zinc/82/09/54/1172820954.db2.gz RKHDEQKDLPXWCY-OLZOCXBDSA-N 2 0 273.396 1.124 10 0 CDAERP C[C@@]1(C[NH+]2CCC(Cn3cccn3)CC2)CC[NH2+]C1 ZINC000262079541 149011867 /nfs/dbraw/zinc/01/18/67/149011867.db2.gz SWENHRQQDCZKLK-OAHLLOKOSA-N 2 0 262.401 1.595 10 0 CDAERP C[C@@]1(CN2CCC[C@@H]2C[NH+]2CCCC2)CC[NH2+]C1 ZINC000262106126 149018486 /nfs/dbraw/zinc/01/84/86/149018486.db2.gz VYLIHEVBWYKHTJ-HUUCEWRRSA-N 2 0 251.418 1.546 10 0 CDAERP CC[NH+](CC)CCSCC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000262751563 149109603 /nfs/dbraw/zinc/10/96/03/149109603.db2.gz JXYPHZOSCZHYRO-STQMWFEESA-N 2 0 287.473 1.176 10 0 CDAERP C[C@@H](NCCC[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309906161 149190157 /nfs/dbraw/zinc/19/01/57/149190157.db2.gz KINMFIVCXUNOJP-ZBFHGGJFSA-N 2 0 261.413 1.835 10 0 CDAERP C[C@H](NC(=O)N(C)CCC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000680512041 483644785 /nfs/dbraw/zinc/64/47/85/483644785.db2.gz XOGFVDVHJCLOEY-ZDUSSCGKSA-N 2 0 284.448 1.310 10 0 CDAERP [NH3+][C@H]1CC[C@H](C(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC000335012135 150184485 /nfs/dbraw/zinc/18/44/85/150184485.db2.gz YAUGTCXWKZTQDB-KBPBESRZSA-N 2 0 279.428 1.591 10 0 CDAERP CCC[C@](C)([NH3+])C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000335147506 150337202 /nfs/dbraw/zinc/33/72/02/150337202.db2.gz CIQUISVUKPHWKE-KBPBESRZSA-N 2 0 253.390 1.106 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000418622903 297106027 /nfs/dbraw/zinc/10/60/27/297106027.db2.gz VPAWOLHZCFTACN-QPSCCSFWSA-N 2 0 294.443 1.110 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+]2CCC1CC2 ZINC000335786048 151018475 /nfs/dbraw/zinc/01/84/75/151018475.db2.gz ODYBYMKGSJFDFO-AWEZNQCLSA-N 2 0 265.401 1.167 10 0 CDAERP O=C([C@H]1C[C@]12CC[NH2+]C2)N1CCC(C[NH+]2CCCC2)CC1 ZINC000335823662 151051131 /nfs/dbraw/zinc/05/11/31/151051131.db2.gz PCGSJGAVMYTTIG-WBVHZDCISA-N 2 0 291.439 1.320 10 0 CDAERP CC[N@@H+]1C[C@@H](C)N(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000336100170 151267425 /nfs/dbraw/zinc/26/74/25/151267425.db2.gz CNZJSDKWKGRTBH-UONOGXRCSA-N 2 0 281.444 1.659 10 0 CDAERP CC(C)[NH+]1CCC([NH2+]CCO[C@@H]2CC2(F)F)CC1 ZINC000658164051 413258906 /nfs/dbraw/zinc/25/89/06/413258906.db2.gz AYONFYXRHBXKOY-GFCCVEGCSA-N 2 0 262.344 1.873 10 0 CDAERP COc1cc(C[NH2+][C@@H]2CN(C)C[C@H]2C)ccc1OCCO ZINC000343352910 152134722 /nfs/dbraw/zinc/13/47/22/152134722.db2.gz JGKPTKPVAPSMBB-TZMCWYRMSA-N 2 0 294.395 1.106 10 0 CDAERP OCC[N@H+](Cc1cc(-n2ccnc2)cs1)C1CC1 ZINC000346182329 153087211 /nfs/dbraw/zinc/08/72/11/153087211.db2.gz SDYGDGFTEYTXFY-UHFFFAOYSA-N 2 0 263.366 1.891 10 0 CDAERP CO[C@H](C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1)C1CCC1 ZINC000660617796 413299577 /nfs/dbraw/zinc/29/95/77/413299577.db2.gz YXGRFJQRXLNLLN-HUUCEWRRSA-N 2 0 252.402 1.829 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662682605 413306971 /nfs/dbraw/zinc/30/69/71/413306971.db2.gz MLHNPJVYLXDKBI-LLVKDONJSA-N 2 0 294.399 1.473 10 0 CDAERP [NH3+]CCCC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000662686750 413310630 /nfs/dbraw/zinc/31/06/30/413310630.db2.gz PXBOQNSMHSHNSE-CYBMUJFWSA-N 2 0 263.341 1.025 10 0 CDAERP [NH3+][C@@H](Cc1cn([C@@H]2CCC[NH2+]C2)nn1)c1ccccc1 ZINC000656466989 413321027 /nfs/dbraw/zinc/32/10/27/413321027.db2.gz IMMHETDLBDJCIJ-CABCVRRESA-N 2 0 271.368 1.445 10 0 CDAERP CC[N@@H+]1CC[C@H](CNCc2ccnn2C(C)C)C1 ZINC000353913600 156158997 /nfs/dbraw/zinc/15/89/97/156158997.db2.gz JSKRBRZVHAPHIE-CYBMUJFWSA-N 2 0 250.390 1.895 10 0 CDAERP COc1c[nH+]ccc1N1CC[NH+](C[C@H]2CCSC2)CC1 ZINC000355659319 157170966 /nfs/dbraw/zinc/17/09/66/157170966.db2.gz YHTVDAGKMCGNEQ-CYBMUJFWSA-N 2 0 293.436 1.965 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)CC2([NH3+])CC2)C1 ZINC000662702158 413349261 /nfs/dbraw/zinc/34/92/61/413349261.db2.gz XOVBQGPHGDNRCB-GFCCVEGCSA-N 2 0 253.390 1.104 10 0 CDAERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000359594893 158303004 /nfs/dbraw/zinc/30/30/04/158303004.db2.gz FHBSZBXXONNWOK-NEPJUHHUSA-N 2 0 298.349 1.342 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000359606169 158308003 /nfs/dbraw/zinc/30/80/03/158308003.db2.gz VYRFMICAJLTKPB-GFCCVEGCSA-N 2 0 282.350 1.963 10 0 CDAERP [NH3+][C@@H](CCC(=O)NCC12CC(C1)C[NH2+]2)CC1CCCCC1 ZINC000662717575 413375972 /nfs/dbraw/zinc/37/59/72/413375972.db2.gz PJQOCXMGVSHSKC-CKDBGZEDSA-N 2 0 293.455 1.933 10 0 CDAERP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C1([NH2+]C2CC2)CCC1 ZINC000662723488 413385279 /nfs/dbraw/zinc/38/52/79/413385279.db2.gz YPQDVIZJQCXTND-UHFFFAOYSA-N 2 0 297.362 1.881 10 0 CDAERP C[NH2+]CCC(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000367607984 159511702 /nfs/dbraw/zinc/51/17/02/159511702.db2.gz PRXXRPJRRCBLJD-ZDUSSCGKSA-N 2 0 253.390 1.073 10 0 CDAERP CCSCC[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372743377 160145929 /nfs/dbraw/zinc/14/59/29/160145929.db2.gz ROZQZZHATOHEPP-ZDUSSCGKSA-N 2 0 271.474 1.498 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000418716832 286920680 /nfs/dbraw/zinc/92/06/80/286920680.db2.gz ZUNUFLDWVPKGNF-OLZOCXBDSA-N 2 0 282.432 1.240 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@H](N)c1ccc(F)cc1F ZINC000662773541 413475272 /nfs/dbraw/zinc/47/52/72/413475272.db2.gz VFOFUERJNQHZFV-BZHVJNSISA-N 2 0 283.322 1.079 10 0 CDAERP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)C(=O)NC1CC1 ZINC000020308961 171143601 /nfs/dbraw/zinc/14/36/01/171143601.db2.gz YLTNZOLDEGYTRV-STQMWFEESA-N 2 0 269.433 1.754 10 0 CDAERP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)C(=O)NCCOC ZINC000020315926 171146072 /nfs/dbraw/zinc/14/60/72/171146072.db2.gz TXIPFKFNSXRZIP-ZIAGYGMSSA-N 2 0 287.448 1.238 10 0 CDAERP [NH3+]CC1(CCNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000653216064 412143645 /nfs/dbraw/zinc/14/36/45/412143645.db2.gz PYUHSLSSJNLZSU-QWHCGFSZSA-N 2 0 267.417 1.529 10 0 CDAERP CN(CCC[NH3+])C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000659000210 413492654 /nfs/dbraw/zinc/49/26/54/413492654.db2.gz VFJXFOANWHPZGI-UHFFFAOYSA-N 2 0 274.328 1.080 10 0 CDAERP [NH3+]C1(CC(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)CC1 ZINC000662816588 413538609 /nfs/dbraw/zinc/53/86/09/413538609.db2.gz WWSLCGDWPAXDNI-CYBMUJFWSA-N 2 0 259.353 1.041 10 0 CDAERP O=C(C[C@@H]1[NH2+]Cc2ccccc21)NCCC[C@H]1CCC[NH2+]1 ZINC000659310757 413702292 /nfs/dbraw/zinc/70/22/92/413702292.db2.gz ISJJCAFPLYUSEH-ZBFHGGJFSA-N 2 0 287.407 1.869 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000662925570 413711796 /nfs/dbraw/zinc/71/17/96/413711796.db2.gz CQGRXHADAQPFAS-JHJVBQTASA-N 2 0 255.406 1.349 10 0 CDAERP CCN(C(=O)N[C@@H](C)C[NH+](C)C)[C@@H]1CC[N@H+](CC)C1 ZINC000664897938 413722034 /nfs/dbraw/zinc/72/20/34/413722034.db2.gz VBBMHOMEZXFYLV-QWHCGFSZSA-N 2 0 270.421 1.062 10 0 CDAERP CC(C)[C@H](C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[NH+]1CCCCC1 ZINC000662945895 413727122 /nfs/dbraw/zinc/72/71/22/413727122.db2.gz WHMVNQYAOFCDEL-MGPQQGTHSA-N 2 0 285.407 1.395 10 0 CDAERP CC(C)(C[NH3+])C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659367785 413752475 /nfs/dbraw/zinc/75/24/75/413752475.db2.gz NXRCOKQTFYDTMJ-ZDUSSCGKSA-N 2 0 277.368 1.271 10 0 CDAERP CN(CC1C[NH+](C)C1)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000661081771 413768920 /nfs/dbraw/zinc/76/89/20/413768920.db2.gz TVQSHMFEAROXOK-UHFFFAOYSA-N 2 0 296.459 1.311 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659493743 413885098 /nfs/dbraw/zinc/88/50/98/413885098.db2.gz LMJKXEABSFIKEO-DNOWBOINSA-N 2 0 282.432 1.158 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1ccccn1 ZINC000665232381 413958902 /nfs/dbraw/zinc/95/89/02/413958902.db2.gz LZEGGOBEOYIXON-YALNPMBYSA-N 2 0 289.423 1.932 10 0 CDAERP Cc1ccncc1CC[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000665239658 413966630 /nfs/dbraw/zinc/96/66/30/413966630.db2.gz WTBCKEXIEJIEKX-AEGPPILISA-N 2 0 263.385 1.274 10 0 CDAERP [NH3+][C@@H]1CN(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC[C@H]1F ZINC000659562282 413975461 /nfs/dbraw/zinc/97/54/61/413975461.db2.gz ZQMNRQLDVICICS-YIYPIFLZSA-N 2 0 298.406 1.084 10 0 CDAERP C[C@H]1CC(CNC(=O)N2CCN(C)C[C@@H]2C[NH3+])C[C@H](C)C1 ZINC000659566512 413979149 /nfs/dbraw/zinc/97/91/49/413979149.db2.gz LAXPLHXIZBGKNS-NFAWXSAZSA-N 2 0 296.459 1.343 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000659618742 414025318 /nfs/dbraw/zinc/02/53/18/414025318.db2.gz KBWYMTFQXLDYRF-LSDHHAIUSA-N 2 0 296.459 1.391 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659618025 414025547 /nfs/dbraw/zinc/02/55/47/414025547.db2.gz YFBVWSOCVDQQOS-VQCLRJIVSA-N 2 0 294.443 1.112 10 0 CDAERP CC(C)[NH2+][C@H]1CCCN(C(=O)NCC[C@@H]([NH3+])C(C)C)C1 ZINC000659621858 414031623 /nfs/dbraw/zinc/03/16/23/414031623.db2.gz BVTIUPFFBKLWNN-UONOGXRCSA-N 2 0 284.448 1.532 10 0 CDAERP CCN(CCC[NH+]1CCCC1)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659621401 414032996 /nfs/dbraw/zinc/03/29/96/414032996.db2.gz DVLKXAOZKKRIJW-OAHLLOKOSA-N 2 0 298.475 1.877 10 0 CDAERP CCC[NH+]1CCC(C[NH3+])(N(C)[C@H]2CCSC2)CC1 ZINC000037174586 173009693 /nfs/dbraw/zinc/00/96/93/173009693.db2.gz MIHBKILPEZUKSH-ZDUSSCGKSA-N 2 0 271.474 1.627 10 0 CDAERP c1cc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)n(-c2cc[nH+]cc2)n1 ZINC000657314661 414159040 /nfs/dbraw/zinc/15/90/40/414159040.db2.gz ZEFTZQFGONSGCH-GDBMZVCRSA-N 2 0 297.406 1.984 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000665361879 414106531 /nfs/dbraw/zinc/10/65/31/414106531.db2.gz WUIDZPJUUHNWIZ-CYBMUJFWSA-N 2 0 284.448 1.452 10 0 CDAERP Cn1ncc(Cl)c1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655827634 414237565 /nfs/dbraw/zinc/23/75/65/414237565.db2.gz VRSPOFQAHQUPPA-AOOOYVTPSA-N 2 0 256.781 1.503 10 0 CDAERP Cn1nnc2c1CC[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@@H]3CCC[C@H]31)C2 ZINC000655826934 414237709 /nfs/dbraw/zinc/23/77/09/414237709.db2.gz LQHPRQNJVNMJCX-UKTARXLSSA-N 2 0 289.427 1.135 10 0 CDAERP COC1([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CCOCC1 ZINC000655804409 414198174 /nfs/dbraw/zinc/19/81/74/414198174.db2.gz YHSMQOICOOPGAN-MCIONIFRSA-N 2 0 270.417 1.500 10 0 CDAERP C[NH+]1CCC(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000657348967 414212466 /nfs/dbraw/zinc/21/24/66/414212466.db2.gz NRSLZZHFBNQSQT-UHFFFAOYSA-N 3 0 285.395 1.699 10 0 CDAERP C[C@@H]([NH2+]Cc1ccnn1-c1cc[nH+]cc1)[C@H](C)CO ZINC000657370314 414248984 /nfs/dbraw/zinc/24/89/84/414248984.db2.gz BQNGUSVXFCFRCS-VXGBXAGGSA-N 2 0 260.341 1.374 10 0 CDAERP CC1(C)[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C[C@@H]1O ZINC000657439766 414329836 /nfs/dbraw/zinc/32/98/36/414329836.db2.gz FWRNDRDTCAADCI-KGLIPLIRSA-N 2 0 272.352 1.516 10 0 CDAERP CCN(C(=O)N[C@@H]1CC[NH+]2CCCC[C@@H]12)[C@H]1CC[N@H+](C)C1 ZINC000663717710 414425943 /nfs/dbraw/zinc/42/59/43/414425943.db2.gz YGFQPNCLQNQGCN-ZNMIVQPWSA-N 2 0 294.443 1.349 10 0 CDAERP C[C@@H](C1CC1)[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662252737 414588072 /nfs/dbraw/zinc/58/80/72/414588072.db2.gz SNCPTHNJAIROOZ-SMDDNHRTSA-N 2 0 250.386 1.770 10 0 CDAERP CCO[C@@H]1C[N@H+](C[C@@H](OC)C2CCCCC2)C[C@H]1C[NH3+] ZINC000662285486 414615566 /nfs/dbraw/zinc/61/55/66/414615566.db2.gz KLTYQSXSEGDBKN-BZUAXINKSA-N 2 0 284.444 1.877 10 0 CDAERP CO[C@@H]1C[NH2+][C@H](C(=O)Nc2ccccc2C[NH+](C)C)C1 ZINC000040632529 174358843 /nfs/dbraw/zinc/35/88/43/174358843.db2.gz VJYVIBCNMZFOIA-JSGCOSHPSA-N 2 0 277.368 1.064 10 0 CDAERP CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2ccccc2C[NH+](C)C)C1 ZINC000040632531 174359030 /nfs/dbraw/zinc/35/90/30/174359030.db2.gz VJYVIBCNMZFOIA-GXTWGEPZSA-N 2 0 277.368 1.064 10 0 CDAERP C[NH+]1CCC(N[C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000040671385 174369222 /nfs/dbraw/zinc/36/92/22/174369222.db2.gz YMNNHVPJBJULKS-SFHVURJKSA-N 2 0 287.451 1.987 10 0 CDAERP C[C@H]([NH3+])[C@@H](c1ccco1)N1CC[NH+](CC2CC2)CC1 ZINC000043335795 175011318 /nfs/dbraw/zinc/01/13/18/175011318.db2.gz CZFUFGWRDRXNQK-WFASDCNBSA-N 2 0 263.385 1.696 10 0 CDAERP C[C@@H]([NH3+])[C@H](c1cccnc1)N1CC[NH+](CC2CC2)CC1 ZINC000043347669 175018152 /nfs/dbraw/zinc/01/81/52/175018152.db2.gz BHCCEPRPSUIWRX-CZUORRHYSA-N 2 0 274.412 1.498 10 0 CDAERP C[C@H]([NH3+])[C@@H](c1ccncc1)N1CC[NH+](CC2CC2)CC1 ZINC000043354231 175021850 /nfs/dbraw/zinc/02/18/50/175021850.db2.gz YBXMZSBAGKVLJZ-BBRMVZONSA-N 2 0 274.412 1.498 10 0 CDAERP CCC[NH+]1CCN([C@H]2COc3ccccc3[C@@H]2[NH2+]C)CC1 ZINC000043805389 175107470 /nfs/dbraw/zinc/10/74/70/175107470.db2.gz JUOBLNOZNRXMRX-RDJZCZTQSA-N 2 0 289.423 1.736 10 0 CDAERP CC[NH+]1CCN([C@@H](C)[C@@H]([NH2+]C)c2ccccc2)CC1 ZINC000043805716 175107754 /nfs/dbraw/zinc/10/77/54/175107754.db2.gz FIGFSGZZCDSDQR-GOEBONIOSA-N 2 0 261.413 1.973 10 0 CDAERP CCC[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000043810994 175110006 /nfs/dbraw/zinc/11/00/06/175110006.db2.gz POXVLJHZZRCDHZ-QGZVFWFLSA-N 2 0 291.439 1.983 10 0 CDAERP CC[NH2+][C@@H]1CC[N@H+](CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000044518803 175191515 /nfs/dbraw/zinc/19/15/15/175191515.db2.gz PRZZYJWJFXVUEW-DZGCQCFKSA-N 3 0 253.434 1.648 10 0 CDAERP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000044538783 175201037 /nfs/dbraw/zinc/20/10/37/175201037.db2.gz VDZIPDLJUSIALL-QPSCCSFWSA-N 2 0 279.428 1.365 10 0 CDAERP CCC[NH2+]CC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000044651265 175225118 /nfs/dbraw/zinc/22/51/18/175225118.db2.gz QPOFMQWSCPMEJE-AWEZNQCLSA-N 2 0 263.385 1.405 10 0 CDAERP [NH3+]CC1(C(=O)N[C@H]2C[NH+]3CCC2CC3)CCCCC1 ZINC000044753277 175245479 /nfs/dbraw/zinc/24/54/79/175245479.db2.gz GNGFVMLOQOXIFM-ZDUSSCGKSA-N 2 0 265.401 1.106 10 0 CDAERP CC[NH+]1CCC(CNC(=O)C2(C[NH3+])CCCCC2)CC1 ZINC000044764391 175248732 /nfs/dbraw/zinc/24/87/32/175248732.db2.gz UOJMVLYKWNOWHS-UHFFFAOYSA-N 2 0 281.444 1.744 10 0 CDAERP C[NH2+][C@@](C)(CCCC[NH+]1CCC(C)CC1)C(N)=O ZINC000045374796 175365531 /nfs/dbraw/zinc/36/55/31/175365531.db2.gz OARYUVULPSBBKB-AWEZNQCLSA-N 2 0 255.406 1.352 10 0 CDAERP CC[NH2+][C@@](C)(CCC[N@H+](C)C1CCCCC1)C(N)=O ZINC000045379150 175368505 /nfs/dbraw/zinc/36/85/05/175368505.db2.gz WHSBRTVPSMVIJS-HNNXBMFYSA-N 2 0 269.433 1.885 10 0 CDAERP CCC[N@H+](CC)CCC[C@](C)([NH2+]C(C)C)C(N)=O ZINC000045387137 175372733 /nfs/dbraw/zinc/37/27/33/175372733.db2.gz RWNPWZJKPTVFQI-AWEZNQCLSA-N 2 0 257.422 1.741 10 0 CDAERP CCOC(=O)[C@](C)([NH3+])CCCC[N@H+](C)C1CCOCC1 ZINC000045394923 175376215 /nfs/dbraw/zinc/37/62/15/175376215.db2.gz VPZHMOOIRUWBLT-OAHLLOKOSA-N 2 0 286.416 1.548 10 0 CDAERP CCOc1ccccc1C[NH2+]CC1CC[NH+](CCO)CC1 ZINC000069418088 175828707 /nfs/dbraw/zinc/82/87/07/175828707.db2.gz UOUDIXUZUIEVGZ-UHFFFAOYSA-N 2 0 292.423 1.879 10 0 CDAERP CC[NH+]1CCC(CNC(=O)c2ccc(CC[NH3+])cc2)CC1 ZINC000070552826 175981926 /nfs/dbraw/zinc/98/19/26/175981926.db2.gz FLZPELLXVPIYGN-UHFFFAOYSA-N 2 0 289.423 1.650 10 0 CDAERP [NH3+]CCc1ccc(CN2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000070553407 175982128 /nfs/dbraw/zinc/98/21/28/175982128.db2.gz VQKZZEUQNAQKSL-QGZVFWFLSA-N 2 0 273.424 1.858 10 0 CDAERP CC[N@H+](CCC(=O)OC)C[C@@H](C[NH3+])c1ccccc1 ZINC000070941109 176014365 /nfs/dbraw/zinc/01/43/65/176014365.db2.gz XMNSLTHQXOZSPS-CQSZACIVSA-N 2 0 264.369 1.614 10 0 CDAERP CCC[NH+]1CCC(N2CCC[C@H]([NH2+]C(C)C)C2=O)CC1 ZINC000071032036 176023142 /nfs/dbraw/zinc/02/31/42/176023142.db2.gz ZTRYXHKPDDQEKR-HNNXBMFYSA-N 2 0 281.444 1.850 10 0 CDAERP CC(C)[NH2+][C@@H]1CCN(C[C@@H]2CC[N@@H+](C(C)C)C2)C1=O ZINC000071035232 176024576 /nfs/dbraw/zinc/02/45/76/176024576.db2.gz DZWPDDQUELPTCS-ZIAGYGMSSA-N 2 0 267.417 1.316 10 0 CDAERP CCC[NH2+][C@@H]1CCN(C[C@@H](C)[NH+]2CCCCC2)C1=O ZINC000071036387 176026146 /nfs/dbraw/zinc/02/61/46/176026146.db2.gz FCDJERANWAQSMT-ZIAGYGMSSA-N 2 0 267.417 1.461 10 0 CDAERP CC(C)[NH2+][C@@H]1CCN(CC[N@H+](C)C2CCCC2)C1=O ZINC000071043690 176029682 /nfs/dbraw/zinc/02/96/82/176029682.db2.gz NWRMCGOZIOKIHX-CQSZACIVSA-N 2 0 267.417 1.460 10 0 CDAERP COc1ccc(C[C@@](C)(C[NH3+])N2CCC[N@H+](C)CC2)cc1 ZINC000071169081 176049799 /nfs/dbraw/zinc/04/97/99/176049799.db2.gz IVQJTGOEEDXPIX-KRWDZBQOSA-N 2 0 291.439 1.593 10 0 CDAERP COc1ccccc1[C@H]([C@H](C)[NH3+])N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188040 176061846 /nfs/dbraw/zinc/06/18/46/176061846.db2.gz QTJRVJYSFCSZFP-VBQJREDUSA-N 2 0 291.439 1.967 10 0 CDAERP CN(Cc1cc(C[NH3+])ccc1F)C[C@@H]1CC[N@H+](C)C1 ZINC000071188299 176062451 /nfs/dbraw/zinc/06/24/51/176062451.db2.gz FFSKKFGIEPUKHB-CYBMUJFWSA-N 2 0 265.376 1.668 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000071188757 176063879 /nfs/dbraw/zinc/06/38/79/176063879.db2.gz ANGWWEPEVZTPQZ-QLFBSQMISA-N 2 0 253.434 1.920 10 0 CDAERP CN(CC[C@H]([NH3+])c1ccccc1)C[C@@H]1CC[N@H+](C)C1 ZINC000071190847 176068062 /nfs/dbraw/zinc/06/80/62/176068062.db2.gz MLMUJLKOHXTEGM-ZBFHGGJFSA-N 2 0 261.413 1.960 10 0 CDAERP C[NH+](C)CC1CC[NH+](CCCn2ccc(N)n2)CC1 ZINC000071352254 176135171 /nfs/dbraw/zinc/13/51/71/176135171.db2.gz WTZMQMPIOAKXED-UHFFFAOYSA-N 2 0 265.405 1.129 10 0 CDAERP CC[C@@H]([NH3+])[C@@H](N1CC[NH+](CC(C)(C)O)CC1)C(C)(C)C ZINC000071380100 176144235 /nfs/dbraw/zinc/14/42/35/176144235.db2.gz SRISUQLOUJYSMO-ZIAGYGMSSA-N 2 0 285.476 1.527 10 0 CDAERP CC(C)(O)C[NH+]1CCN(C[C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000071381766 176145892 /nfs/dbraw/zinc/14/58/92/176145892.db2.gz MZLNAGDDMNYKBC-LSDHHAIUSA-N 2 0 283.460 1.283 10 0 CDAERP C[C@]1([NH2+]CCC[C@H]([NH3+])c2ccccc2)CCS(=O)(=O)C1 ZINC000071401983 176153697 /nfs/dbraw/zinc/15/36/97/176153697.db2.gz KJGDCGZVBAGBQB-GJZGRUSLSA-N 2 0 296.436 1.633 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000261895496 287391293 /nfs/dbraw/zinc/39/12/93/287391293.db2.gz CXAILCYTGWQGDW-RBSFLKMASA-N 2 0 293.455 1.755 10 0 CDAERP CCC[NH2+]C[C@](C)(NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001666015902 1173101495 /nfs/dbraw/zinc/10/14/95/1173101495.db2.gz BLMNRYJMNYFIOF-HOCLYGCPSA-N 2 0 281.444 1.755 10 0 CDAERP C[NH+](C)CCC[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000710947851 686843575 /nfs/dbraw/zinc/84/35/75/686843575.db2.gz BPKVREXADSUPCF-UHFFFAOYSA-N 2 0 271.405 1.395 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000417931528 227217652 /nfs/dbraw/zinc/21/76/52/227217652.db2.gz LKYRCVIICIILRF-SLTAFYQDSA-N 2 0 296.459 1.406 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000179394184 260046035 /nfs/dbraw/zinc/04/60/35/260046035.db2.gz BOQDPENGRMGJQH-MRXNPFEDSA-N 2 0 293.455 1.805 10 0 CDAERP c1cncc([C@@H]2C[NH2+]CCN2CC[C@H]2CC[NH2+]C2)c1 ZINC000517567436 260193650 /nfs/dbraw/zinc/19/36/50/260193650.db2.gz OIKJMDZADVZAKO-HIFRSBDPSA-N 2 0 260.385 1.028 10 0 CDAERP CCOC(=O)CC[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000175726809 261244688 /nfs/dbraw/zinc/24/46/88/261244688.db2.gz DZCUXJPYARTQRR-OLZOCXBDSA-N 2 0 256.390 1.602 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)CC[C@H]2CC[NH2+]C2)CC1 ZINC000521432837 262334748 /nfs/dbraw/zinc/33/47/48/262334748.db2.gz IUAITRLOLOGXSP-NFOMZHRRSA-N 2 0 281.444 1.613 10 0 CDAERP CO[C@H](C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)C1CCCC1 ZINC000662274831 423838792 /nfs/dbraw/zinc/83/87/92/423838792.db2.gz XNYOZCCXOLYNFK-RBSFLKMASA-N 2 0 252.402 1.875 10 0 CDAERP CC(C)CC[C@H](O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662322738 423955088 /nfs/dbraw/zinc/95/50/88/423955088.db2.gz IMCSMXIQAROLHO-HOTGVXAUSA-N 2 0 286.460 1.826 10 0 CDAERP C[NH+](C)CCC[C@@H]1CN(CC[NH+]2CCCCC2)CCO1 ZINC000662323377 423956033 /nfs/dbraw/zinc/95/60/33/423956033.db2.gz PZMINVUOFQHGTG-MRXNPFEDSA-N 2 0 283.460 1.515 10 0 CDAERP C[C@H]1C[C@@H](NC(=O)NCCC2(C[NH3+])CC2)C[N@@H+]1C1CC1 ZINC000652165898 423986126 /nfs/dbraw/zinc/98/61/26/423986126.db2.gz DFXJOIGYFBXNAA-NWDGAFQWSA-N 2 0 280.416 1.040 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]C[C@@]2(CO)CCc3ccccc32)CC[N@@H+]1C ZINC000652226269 424086324 /nfs/dbraw/zinc/08/63/24/424086324.db2.gz NJQKWQMDYAQEFL-QGPMSJSTSA-N 2 0 288.435 1.935 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000652225364 424088855 /nfs/dbraw/zinc/08/88/55/424088855.db2.gz XFQFTJFHNBJHFP-ZIAGYGMSSA-N 2 0 284.448 1.343 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@@H](C)CCC[NH3+] ZINC000652220586 424097466 /nfs/dbraw/zinc/09/74/66/424097466.db2.gz DORHIMBXDJEAHM-ZDUSSCGKSA-N 2 0 272.437 1.391 10 0 CDAERP CC[C@H]([NH2+]C)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000662399011 424040158 /nfs/dbraw/zinc/04/01/58/424040158.db2.gz YDIQDZMEBQSIIW-CABCVRRESA-N 2 0 277.412 1.274 10 0 CDAERP COC[C@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)CC1 ZINC000660758616 424097684 /nfs/dbraw/zinc/09/76/84/424097684.db2.gz UWBQXPQJQWHDQK-GJZGRUSLSA-N 2 0 272.433 1.436 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000652291920 424197503 /nfs/dbraw/zinc/19/75/03/424197503.db2.gz NJDQMAFLHSXYRN-UHFFFAOYSA-N 2 0 290.411 1.299 10 0 CDAERP Cc1ccc(NC(=O)NCCN(C)CCC[NH+](C)C)cn1 ZINC000664330707 424226537 /nfs/dbraw/zinc/22/65/37/424226537.db2.gz LXUBTXOIZUQSGR-UHFFFAOYSA-N 2 0 293.415 1.395 10 0 CDAERP O=C(NCC[NH2+]C1CCCCCC1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653053620 424177286 /nfs/dbraw/zinc/17/72/86/424177286.db2.gz VZJAXDSHLVTDEC-HOTGVXAUSA-N 2 0 293.455 1.946 10 0 CDAERP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662622673 424245859 /nfs/dbraw/zinc/24/58/59/424245859.db2.gz SRSICEUZCYUNJI-XQQFMLRXSA-N 2 0 267.417 1.364 10 0 CDAERP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CCOCC2CC2)C1 ZINC000652362237 424314403 /nfs/dbraw/zinc/31/44/03/424314403.db2.gz ASCUBWMAPACBHF-OAGGEKHMSA-N 2 0 282.428 1.774 10 0 CDAERP Cn1nccc1[C@H]1COCCN1CC[C@@H]1CCC[NH2+]C1 ZINC000652364169 424317248 /nfs/dbraw/zinc/31/72/48/424317248.db2.gz ZZHCIRYQJFEVDA-DZGCQCFKSA-N 2 0 278.400 1.183 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653152194 424385423 /nfs/dbraw/zinc/38/54/23/424385423.db2.gz FEOWVNBZQJPRFI-GHMZBOCLSA-N 2 0 295.349 1.185 10 0 CDAERP C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc(C[NH3+])cc2)C1 ZINC000519600611 265496929 /nfs/dbraw/zinc/49/69/29/265496929.db2.gz RMNWDXDPKLTURU-ZDUSSCGKSA-N 2 0 261.369 1.169 10 0 CDAERP CC[C@@H]1CN(C(=O)NCC[C@@H]([NH3+])C(C)C)CC[C@H]1[NH3+] ZINC000659618582 424412614 /nfs/dbraw/zinc/41/26/14/424412614.db2.gz IZJTWFOUYOCHDH-JHJVBQTASA-N 2 0 270.421 1.129 10 0 CDAERP CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400974922 424420178 /nfs/dbraw/zinc/42/01/78/424420178.db2.gz RGMFLHRHXUKPJC-QKPAOTATSA-N 2 0 267.461 1.940 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000665272883 424484131 /nfs/dbraw/zinc/48/41/31/424484131.db2.gz MXLBOKDZZDNDCZ-PMPSAXMXSA-N 2 0 294.443 1.475 10 0 CDAERP O=C(C[C@H]1[NH2+]Cc2ccccc21)NCC[NH2+]C1CC1 ZINC000659295820 424508868 /nfs/dbraw/zinc/50/88/68/424508868.db2.gz ZZONGIHGSIIJKP-CQSZACIVSA-N 2 0 259.353 1.089 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N2CC[NH+]3CCC2CC3)C1 ZINC000661506633 424459077 /nfs/dbraw/zinc/45/90/77/424459077.db2.gz GQNUGZYWPKYCMR-ZDUSSCGKSA-N 2 0 294.443 1.349 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1cnc(C(F)(F)F)nc1 ZINC000665235630 424467921 /nfs/dbraw/zinc/46/79/21/424467921.db2.gz XMEGKEOQQSYXQY-JTQLQIEISA-N 2 0 292.305 1.339 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1cnc(C(F)(F)F)nc1 ZINC000665235631 424468172 /nfs/dbraw/zinc/46/81/72/424468172.db2.gz XMEGKEOQQSYXQY-SNVBAGLBSA-N 2 0 292.305 1.339 10 0 CDAERP CO[C@H](C[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)C1CCC1 ZINC000872148356 687050996 /nfs/dbraw/zinc/05/09/96/687050996.db2.gz CFSQMDXYAQOOGD-QJPTWQEYSA-N 2 0 280.334 1.871 10 0 CDAERP CCCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001667772738 1173322236 /nfs/dbraw/zinc/32/22/36/1173322236.db2.gz ZGJDWDXOKCMVRD-HUUCEWRRSA-N 2 0 281.444 1.757 10 0 CDAERP C[C@H](CC[NH2+]CCCF)NC(=O)[C@@H]1CCc2nccn2C1 ZINC001668117689 1173371248 /nfs/dbraw/zinc/37/12/48/1173371248.db2.gz LBBCYFHSEQDKBY-CHWSQXEVSA-N 2 0 296.390 1.290 10 0 CDAERP CCC[NH2+]CC[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001668121921 1173371387 /nfs/dbraw/zinc/37/13/87/1173371387.db2.gz DLSXXOQOIJZIBO-CYBMUJFWSA-N 2 0 267.417 1.509 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000454602834 276116338 /nfs/dbraw/zinc/11/63/38/276116338.db2.gz AVCLUSSNCYVSQI-MCIONIFRSA-N 2 0 284.448 1.451 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CC2CC[NH2+]CC2)[C@@H](C)C1 ZINC000246292046 276224376 /nfs/dbraw/zinc/22/43/76/276224376.db2.gz NKFNKIOIEWQVHY-ZFWWWQNUSA-N 3 0 253.434 1.648 10 0 CDAERP CCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000182835161 276285622 /nfs/dbraw/zinc/28/56/22/276285622.db2.gz OJRAYWKBHSNXHO-SOUVJXGZSA-N 2 0 275.396 1.675 10 0 CDAERP COCC[N@@H+]1CCC[C@@H]1CNC1CC[NH+](C2CC2)CC1 ZINC000459408866 277221383 /nfs/dbraw/zinc/22/13/83/277221383.db2.gz QSRCVHMPRNRCLA-MRXNPFEDSA-N 2 0 281.444 1.314 10 0 CDAERP C[C@H](CC[NH2+]CCC1CC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001668308639 1173394254 /nfs/dbraw/zinc/39/42/54/1173394254.db2.gz APLWDIFSMHTGQO-OCCSQVGLSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(-n2cncn2)cc1 ZINC000423361315 278275075 /nfs/dbraw/zinc/27/50/75/278275075.db2.gz ADDODGGWRCJOBE-HEHGZKQESA-N 2 0 285.395 1.916 10 0 CDAERP C[C@@H]([NH2+][C@H]1CCN(c2ncccc2Cl)C1)C1C[NH2+]C1 ZINC000422870882 278385338 /nfs/dbraw/zinc/38/53/38/278385338.db2.gz CKLIBTULDKJZTI-PWSUYJOCSA-N 2 0 280.803 1.511 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000416997388 279156022 /nfs/dbraw/zinc/15/60/22/279156022.db2.gz AAHRCWTYEQHNOJ-ZIAGYGMSSA-N 2 0 286.464 1.732 10 0 CDAERP CC[N@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)C1CC(C)(C)C1 ZINC000415112539 279219071 /nfs/dbraw/zinc/21/90/71/279219071.db2.gz BHACFYJNVGAGAW-ZDUSSCGKSA-N 2 0 281.444 1.694 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]C)CC1 ZINC000335422015 279263808 /nfs/dbraw/zinc/26/38/08/279263808.db2.gz GVNPHZKLGYGORM-CYBMUJFWSA-N 2 0 253.390 1.071 10 0 CDAERP CC[NH+]1CCN([C@H]2CC[N@H+](CC(C)(C)C)C2)CC1 ZINC000093133385 279372354 /nfs/dbraw/zinc/37/23/54/279372354.db2.gz AVMXDRKZVSSALA-AWEZNQCLSA-N 2 0 253.434 1.744 10 0 CDAERP C[C@H]1C[C@H]([NH2+]CC2(O)Cc3ccccc3C2)CC[N@@H+]1C ZINC000363789070 280009437 /nfs/dbraw/zinc/00/94/37/280009437.db2.gz MNTHDERIHSSTMC-XJKSGUPXSA-N 2 0 274.408 1.589 10 0 CDAERP CC[N@@H+]1CC[C@H](NC[C@@H](O)C[NH+]2CCCCC2)[C@H](C)C1 ZINC000246871139 280307809 /nfs/dbraw/zinc/30/78/09/280307809.db2.gz DKTNBOMJQSGOGU-OAGGEKHMSA-N 3 0 283.460 1.153 10 0 CDAERP COC[C@H](C)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000527358328 281131948 /nfs/dbraw/zinc/13/19/48/281131948.db2.gz XAGXNQMTUUKZBR-MRXNPFEDSA-N 2 0 297.487 1.618 10 0 CDAERP C[NH+](C)CCCC1CC[NH+](C[C@@H](O)CC2(O)CCC2)CC1 ZINC000528435277 281228224 /nfs/dbraw/zinc/22/82/24/281228224.db2.gz ZVZYMHJOZOGGKZ-INIZCTEOSA-N 2 0 298.471 1.706 10 0 CDAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CC[NH+](CC)CC ZINC000245640468 288317175 /nfs/dbraw/zinc/31/71/75/288317175.db2.gz SGRJJPMOSOBNRD-GJZGRUSLSA-N 2 0 253.434 1.887 10 0 CDAERP C[NH+](C)C1(CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)CCCCC1 ZINC000091545975 282040807 /nfs/dbraw/zinc/04/08/07/282040807.db2.gz TURZSAZXDWNCFV-OLZOCXBDSA-N 2 0 267.417 1.495 10 0 CDAERP C[NH+](C)C1(CN[C@@H]2CCC[NH2+]CC2)CCCCC1 ZINC000128875088 282044453 /nfs/dbraw/zinc/04/44/53/282044453.db2.gz NHOGBLPLUQEFBX-CQSZACIVSA-N 2 0 253.434 1.983 10 0 CDAERP C[NH+](C)C1(CN[C@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CCOCC1 ZINC000375863039 289062443 /nfs/dbraw/zinc/06/24/43/289062443.db2.gz VGMQNVFLTUDDKD-JYJNAYRXSA-N 2 0 295.471 1.560 10 0 CDAERP C[NH+](C)CC(C)(C)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000458472336 289078176 /nfs/dbraw/zinc/07/81/76/289078176.db2.gz TZDRZMBBQJPMMY-AGUYFDCRSA-N 2 0 296.459 1.641 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000152386462 289130529 /nfs/dbraw/zinc/13/05/29/289130529.db2.gz NTRQXKNAPGZNIO-HUUCEWRRSA-N 2 0 296.459 1.452 10 0 CDAERP C[C@@]1(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)CC[NH2+]C1 ZINC000261722005 289164517 /nfs/dbraw/zinc/16/45/17/289164517.db2.gz FYSISATXXJVZAY-WMLDXEAASA-N 2 0 299.422 1.908 10 0 CDAERP C[C@H](C(=O)N1CCC[C@H]([NH+]2CCCCC2)C1)C1C[NH2+]C1 ZINC000367608568 289277864 /nfs/dbraw/zinc/27/78/64/289277864.db2.gz RUWHVVZIJJUCCU-ZFWWWQNUSA-N 2 0 279.428 1.319 10 0 CDAERP C[C@H](C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)[NH+]1CCCCCC1 ZINC000173569934 289319741 /nfs/dbraw/zinc/31/97/41/289319741.db2.gz GUNZTIFPCVMAJG-ARFHVFGLSA-N 2 0 293.455 1.946 10 0 CDAERP C[C@H]([NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1ccc2[nH]c(=O)[nH]c2c1 ZINC000089149760 290010074 /nfs/dbraw/zinc/01/00/74/290010074.db2.gz OZHLGHPGHJWHEN-MVWJERBFSA-N 2 0 274.368 1.634 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCC[C@@H](C)C2)C1 ZINC000553369960 290115819 /nfs/dbraw/zinc/11/58/19/290115819.db2.gz IAVPHYYTWCLGSL-HUUCEWRRSA-N 2 0 295.471 1.955 10 0 CDAERP C[N@@H+]1CC[C@@H](NC(=O)N2CC[C@H]([NH3+])C2)[C@H]1c1ccccc1 ZINC000333510755 290137496 /nfs/dbraw/zinc/13/74/96/290137496.db2.gz FJJNTLCPXJVXTL-RRFJBIMHSA-N 2 0 288.395 1.174 10 0 CDAERP C[C@]1(CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CCC[NH2+]C1 ZINC000557226022 290337754 /nfs/dbraw/zinc/33/77/54/290337754.db2.gz GSLQQIYYLCDBNN-LZWOXQAQSA-N 2 0 294.443 1.017 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000558694683 290418294 /nfs/dbraw/zinc/41/82/94/290418294.db2.gz HFHCZHYCGSHYEL-MRXNPFEDSA-N 2 0 293.455 1.659 10 0 CDAERP CCC[C@@H](C(=O)NC1CC[NH+](CC(C)C)CC1)[NH+](C)C ZINC000162002305 292816779 /nfs/dbraw/zinc/81/67/79/292816779.db2.gz RYNBQTMJNAMHEI-HNNXBMFYSA-N 2 0 283.460 1.953 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N2CCC[C@@H](C[NH3+])C2)CC1 ZINC000562797054 293198254 /nfs/dbraw/zinc/19/82/54/293198254.db2.gz QMIBWOFMBRGCRK-HNNXBMFYSA-N 2 0 296.459 1.489 10 0 CDAERP COC[C@]1(C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)CCC[NH2+]1 ZINC000423411497 293294489 /nfs/dbraw/zinc/29/44/89/293294489.db2.gz FTNNADSHVLKDGO-QBPKDAKJSA-N 2 0 296.455 1.940 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000565833758 293693363 /nfs/dbraw/zinc/69/33/63/293693363.db2.gz QZOVRJVMWWELFP-RRFJBIMHSA-N 2 0 253.434 1.966 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(C[NH3+])cc1 ZINC000568627784 294071096 /nfs/dbraw/zinc/07/10/96/294071096.db2.gz GSEJFSUPFNJFJC-AWEZNQCLSA-N 2 0 276.384 1.039 10 0 CDAERP CC(C)[NH2+]CCC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000574384688 294991052 /nfs/dbraw/zinc/99/10/52/294991052.db2.gz XXDDRUWPAPKYFW-UHFFFAOYSA-N 2 0 277.412 1.405 10 0 CDAERP [NH3+]C[C@@H](NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)C1CC1 ZINC000333865976 295242709 /nfs/dbraw/zinc/24/27/09/295242709.db2.gz SYFBWASZEIZAEN-LSDHHAIUSA-N 2 0 294.443 1.384 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000089457785 295271340 /nfs/dbraw/zinc/27/13/40/295271340.db2.gz OJWPLCCDDLIHGU-QLFBSQMISA-N 2 0 279.428 1.448 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000237994186 295322147 /nfs/dbraw/zinc/32/21/47/295322147.db2.gz UQNKOTBWAWKXDK-LSDHHAIUSA-N 2 0 281.444 1.886 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC[NH2+]1 ZINC000262430502 300399593 /nfs/dbraw/zinc/39/95/93/300399593.db2.gz WMIJTJNNOBBNDY-KKUMJFAQSA-N 2 0 279.428 1.461 10 0 CDAERP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000335405127 300818156 /nfs/dbraw/zinc/81/81/56/300818156.db2.gz AQOABLJRSQMJTE-OCCSQVGLSA-N 2 0 265.401 1.249 10 0 CDAERP Cc1ccc([C@H](CNC(=O)N[C@H](C)[C@@H](C)[NH3+])[NH+](C)C)cc1 ZINC000417313329 301794957 /nfs/dbraw/zinc/79/49/57/301794957.db2.gz PBYWQNYGUMGQPQ-NFAWXSAZSA-N 2 0 292.427 1.633 10 0 CDAERP [NH3+][C@@H]1CCC[C@H](C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000218919216 303462628 /nfs/dbraw/zinc/46/26/28/303462628.db2.gz XHCIZHUWCBGCCP-RRFJBIMHSA-N 2 0 279.428 1.591 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(C)C ZINC001669751047 1173593988 /nfs/dbraw/zinc/59/39/88/1173593988.db2.gz WOIRRUOSHCHJJE-KBPBESRZSA-N 2 0 269.433 1.611 10 0 CDAERP CC[NH+](CC)CC(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000575747947 317006668 /nfs/dbraw/zinc/00/66/68/317006668.db2.gz DCNHBGGGAGPSHZ-LSDHHAIUSA-N 2 0 297.443 1.073 10 0 CDAERP C[C@@H](C[NH2+][C@@H]1CCCC12CC2)N1CC[NH+](C)CC1 ZINC000576410145 317134928 /nfs/dbraw/zinc/13/49/28/317134928.db2.gz GXBZGACKHKDPGV-UONOGXRCSA-N 2 0 251.418 1.545 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000577623785 317369277 /nfs/dbraw/zinc/36/92/77/317369277.db2.gz ACCAYQDKILLEKT-CQSZACIVSA-N 2 0 269.433 1.374 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000186571591 323409446 /nfs/dbraw/zinc/40/94/46/323409446.db2.gz VZMZSOYFXBRKHU-UHFFFAOYSA-N 2 0 298.475 1.700 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000579453158 324188654 /nfs/dbraw/zinc/18/86/54/324188654.db2.gz HRVVBWZRSAIMNV-GOEBONIOSA-N 2 0 296.459 1.500 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001267048265 1159098743 /nfs/dbraw/zinc/09/87/43/1159098743.db2.gz VINXCOLQVMZXKM-HZPDHXFCSA-N 2 0 293.455 1.875 10 0 CDAERP C[C@H](NCCC[NH+]1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000584285540 327218081 /nfs/dbraw/zinc/21/80/81/327218081.db2.gz CSYMIGAFAQBMQQ-GJZGRUSLSA-N 2 0 253.434 1.840 10 0 CDAERP CCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001714616991 1159758867 /nfs/dbraw/zinc/75/88/67/1159758867.db2.gz FRCYRJSKLWFUOX-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)=CC[NH2+]CC[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001268368668 1159905448 /nfs/dbraw/zinc/90/54/48/1159905448.db2.gz IRRKRPZIZDIRQE-AWEZNQCLSA-N 2 0 281.444 1.921 10 0 CDAERP CCCC[NH2+]CC[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001268379249 1159914841 /nfs/dbraw/zinc/91/48/41/1159914841.db2.gz FRDHFOWOIKWIIH-CQSZACIVSA-N 2 0 281.444 1.899 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC/C=C\C[NH2+]CCCF)CC[N@@H+]1C ZINC001268540909 1159966169 /nfs/dbraw/zinc/96/61/69/1159966169.db2.gz BMTDMESCHJOIKY-OQOSRZTISA-N 2 0 285.407 1.338 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC001361940432 1160006508 /nfs/dbraw/zinc/00/65/08/1160006508.db2.gz AXMIQGGJLYPFNM-CABCVRRESA-N 2 0 281.444 1.661 10 0 CDAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000668302181 482361986 /nfs/dbraw/zinc/36/19/86/482361986.db2.gz AZXMTUGPRIORFL-RRFJBIMHSA-N 2 0 281.444 1.374 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)[C@H]2CCCC[C@H]2[NH3+])CC[N@@H+]1C ZINC000251724691 1160572571 /nfs/dbraw/zinc/57/25/71/1160572571.db2.gz CDARHIOVRRYLAN-FVCCEPFGSA-N 2 0 253.390 1.103 10 0 CDAERP C([C@H]1CCC2(C[NH2+]C2)O1)[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000662258421 482208778 /nfs/dbraw/zinc/20/87/78/482208778.db2.gz XDRGHQZQPVUEJN-JKSUJKDBSA-N 2 0 294.439 1.931 10 0 CDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)CC1([NH3+])CC1 ZINC000398164728 482245442 /nfs/dbraw/zinc/24/54/42/482245442.db2.gz LYHDMLRETODRGT-CYBMUJFWSA-N 2 0 275.396 1.505 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)NC/C=C\C[NH3+])c1ccccc1 ZINC000668562754 482478116 /nfs/dbraw/zinc/47/81/16/482478116.db2.gz ZCWGHHWOHYEAIQ-LMVHVUTASA-N 2 0 276.384 1.103 10 0 CDAERP [NH3+]CC1(O)CC[NH+](C[C@H]2CCCCC2(F)F)CC1 ZINC000397037729 482498093 /nfs/dbraw/zinc/49/80/93/482498093.db2.gz OYVNMLASGUIBHA-LLVKDONJSA-N 2 0 262.344 1.598 10 0 CDAERP C[C@H]1CC[NH2+][C@@H](C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)C1 ZINC000669518339 482545425 /nfs/dbraw/zinc/54/54/25/482545425.db2.gz NRLZNONQTTWZHL-IINYFYTJSA-N 2 0 291.370 1.798 10 0 CDAERP C[C@@H]1CN(C(=O)[C@@H]([NH3+])c2cccc(Cl)c2)C[C@@]1(C)C[NH3+] ZINC000669521288 482568302 /nfs/dbraw/zinc/56/83/02/482568302.db2.gz JMIXKZOYBPMMIW-RIEGTJTDSA-N 2 0 295.814 1.783 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCC[C@H](OC)C2)CC1 ZINC000684369806 482777214 /nfs/dbraw/zinc/77/72/14/482777214.db2.gz BCKKVNCRLMRZSN-PMPSAXMXSA-N 2 0 283.460 1.560 10 0 CDAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCC[C@@H](OC)C2)CC1 ZINC000684376903 482780863 /nfs/dbraw/zinc/78/08/63/482780863.db2.gz GPNWQTGOJWMILD-BRWVUGGUSA-N 2 0 297.487 1.807 10 0 CDAERP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C1CCC([NH3+])CC1 ZINC000094445029 482786975 /nfs/dbraw/zinc/78/69/75/482786975.db2.gz CMJMYEUHXPNSDZ-VXGQWTEUSA-N 2 0 279.428 1.589 10 0 CDAERP CC[NH2+][C@H](C)CNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000667148614 483110385 /nfs/dbraw/zinc/11/03/85/483110385.db2.gz HMLVSJKFLFYEPU-LLVKDONJSA-N 2 0 288.355 1.387 10 0 CDAERP C[NH2+][C@H](C)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000390809117 483140238 /nfs/dbraw/zinc/14/02/38/483140238.db2.gz PUIJBHOEAWQWIR-HIFRSBDPSA-N 2 0 275.396 1.327 10 0 CDAERP C[NH+]1CCN(Cc2ccc(C[NH2+]C3CSC3)cc2)CC1 ZINC000679839079 483157473 /nfs/dbraw/zinc/15/74/73/483157473.db2.gz GVYVOJFSQNZWMP-UHFFFAOYSA-N 2 0 291.464 1.639 10 0 CDAERP CO[C@@H]1CCC[C@@H]([NH2+][C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000684378068 483317347 /nfs/dbraw/zinc/31/73/47/483317347.db2.gz YCCTYYDUTDJSAQ-RBSFLKMASA-N 2 0 269.433 1.170 10 0 CDAERP C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@H]2CCC[N@@H+](C)C2)C1 ZINC000679374655 483352496 /nfs/dbraw/zinc/35/24/96/483352496.db2.gz ZJJBUTSEGKCMDR-QLFBSQMISA-N 2 0 294.443 1.206 10 0 CDAERP CC[N@H+](CCCO)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667668732 483377274 /nfs/dbraw/zinc/37/72/74/483377274.db2.gz XQGGTLAPCPKIDJ-UHFFFAOYSA-N 2 0 260.341 1.472 10 0 CDAERP C[C@H]([NH2+]C[C@]1(CCO)CCOC1)C1CC[NH+](C)CC1 ZINC000675936446 483383620 /nfs/dbraw/zinc/38/36/20/483383620.db2.gz KETHXYGXVWYKJN-ZFWWWQNUSA-N 2 0 270.417 1.095 10 0 CDAERP O=C1NCCC[C@@H]1[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000675951942 483385692 /nfs/dbraw/zinc/38/56/92/483385692.db2.gz LPWAPZPCFQUAMU-INIZCTEOSA-N 2 0 293.455 1.853 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000136406828 483402382 /nfs/dbraw/zinc/40/23/82/483402382.db2.gz PHWNYNIVRDHION-AWEZNQCLSA-N 2 0 269.433 1.693 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000434686709 483478785 /nfs/dbraw/zinc/47/87/85/483478785.db2.gz AWZAIVSHGNEJQL-NILFDRSVSA-N 2 0 293.386 1.515 10 0 CDAERP c1ccc(C[N@H+]2CCCN(C[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000323834710 483614674 /nfs/dbraw/zinc/61/46/74/483614674.db2.gz RKGXDMBRNIMUMP-QGZVFWFLSA-N 2 0 289.423 1.183 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CC[C@H](CN2CCC([NH+](C)C)CC2)O1 ZINC000052477792 519723927 /nfs/dbraw/zinc/72/39/27/519723927.db2.gz YRTRFTXHKKPGDL-JKSUJKDBSA-N 2 0 283.460 1.558 10 0 CDAERP CCC[NH2+]Cc1cn(CC[N@H+](C)[C@H](C)CC)nn1 ZINC000052444173 519962080 /nfs/dbraw/zinc/96/20/80/519962080.db2.gz KYJAMYFEHKEBRE-GFCCVEGCSA-N 2 0 253.394 1.508 10 0 CDAERP CCC[NH2+][C@@H](C)C[C@H](C)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000068655053 519985954 /nfs/dbraw/zinc/98/59/54/519985954.db2.gz VSNLKCKOOQAADV-JYJNAYRXSA-N 2 0 283.460 1.560 10 0 CDAERP CC[NH2+]Cc1oc(CN2CCC[N@H+](C)CC2)cc1C ZINC000052424477 520027333 /nfs/dbraw/zinc/02/73/33/520027333.db2.gz IAPAPDUYTMKLKC-UHFFFAOYSA-N 2 0 265.401 1.835 10 0 CDAERP CCC[NH2+][C@@](C)(CCN1CC[NH+]([C@H](C)CC)CC1)C(N)=O ZINC000055070588 520035740 /nfs/dbraw/zinc/03/57/40/520035740.db2.gz OKZPEYSCMDPKLC-ZBFHGGJFSA-N 2 0 298.475 1.036 10 0 CDAERP CCC[NH2+][C@H](CN1CCC[C@@H]1C[NH+](C)C)C1CC1 ZINC000069075066 520083028 /nfs/dbraw/zinc/08/30/28/520083028.db2.gz PTWAHLBQDVGCLG-HUUCEWRRSA-N 2 0 253.434 1.791 10 0 CDAERP CCCCCCOC[C@@H](O)C[NH2+][C@@H](C)CC[NH+](C)C ZINC000049557220 520100944 /nfs/dbraw/zinc/10/09/44/520100944.db2.gz AFKVENJDDBZQQI-GJZGRUSLSA-N 2 0 274.449 1.874 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000061273556 520165870 /nfs/dbraw/zinc/16/58/70/520165870.db2.gz CGWRFNSVRTZGKG-HIFRSBDPSA-N 2 0 277.412 1.794 10 0 CDAERP C[NH+](C)CCN1CC[NH+](CCCCC[NH2+]C(C)(C)C)CC1 ZINC000061654969 521764868 /nfs/dbraw/zinc/76/48/68/521764868.db2.gz OJSKTEONULXOHR-UHFFFAOYSA-N 3 0 298.519 1.724 10 0 CDAERP C[NH+](C)CCN1CC[NH+]([C@H]2CCCCCC[C@H]2O)CC1 ZINC000061652736 521766440 /nfs/dbraw/zinc/76/64/40/521766440.db2.gz KITAACKFTOMJGX-JKSUJKDBSA-N 2 0 283.460 1.249 10 0 CDAERP C[NH+](C)CCN1CCN(C2(C[NH3+])CCCCCC2)CC1 ZINC000061643211 521762206 /nfs/dbraw/zinc/76/22/06/521762206.db2.gz GFBQVWUVSXCORA-UHFFFAOYSA-N 2 0 282.476 1.217 10 0 CDAERP C[NH+](C)[C@H]1CCN(Cc2ccc(C[NH3+])cc2F)C1 ZINC000062964466 522103895 /nfs/dbraw/zinc/10/38/95/522103895.db2.gz LHOOOLJZJJBSIG-ZDUSSCGKSA-N 2 0 251.349 1.420 10 0 CDAERP C[C@@H](CCC[NH2+]C/C=C/Cl)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001734247469 1183703954 /nfs/dbraw/zinc/70/39/54/1183703954.db2.gz LJHRKVVYRLZTNL-DGYDABPTSA-N 2 0 287.835 1.708 10 0 CDAERP C(CN1CC[NH+](C2CCCC2)CC1)[NH2+]C[C@@H]1CCCO1 ZINC000053388859 518389842 /nfs/dbraw/zinc/38/98/42/518389842.db2.gz VSWDJYWBEGPLPQ-INIZCTEOSA-N 2 0 281.444 1.315 10 0 CDAERP CC(C)(C)[NH+]1CCN(C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000055141066 518708580 /nfs/dbraw/zinc/70/85/80/518708580.db2.gz YJVDXXDGPHQTDH-KBPBESRZSA-N 2 0 281.444 1.837 10 0 CDAERP CC(C)(C)[NH+]1CCN(C(=O)[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000055090586 518710647 /nfs/dbraw/zinc/71/06/47/518710647.db2.gz HZDFLHKXJHAEPY-QWHCGFSZSA-N 2 0 267.417 1.447 10 0 CDAERP CC(C)(C)[NH+]1CCN(Cc2cc(C[NH3+])no2)CC1 ZINC000052571648 518710777 /nfs/dbraw/zinc/71/07/77/518710777.db2.gz GVJARMRBJMXDMA-UHFFFAOYSA-N 2 0 252.362 1.049 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000067592251 519611990 /nfs/dbraw/zinc/61/19/90/519611990.db2.gz RIHDPIGDWVBKRH-INIZCTEOSA-N 2 0 291.439 1.616 10 0 CDAERP CC(C)C[NH+]1CCN(CC[NH2+]C2CCCC2)CC1 ZINC000055075828 519726194 /nfs/dbraw/zinc/72/61/94/519726194.db2.gz NUFQHQYTTPPTEY-UHFFFAOYSA-N 2 0 253.434 1.792 10 0 CDAERP CC(C)C[NH+]1CCN([C@@H](C[NH3+])C2CCOCC2)CC1 ZINC000055078018 519727412 /nfs/dbraw/zinc/72/74/12/519727412.db2.gz TYDYBVPNXPLWDA-HNNXBMFYSA-N 2 0 269.433 1.014 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N2CCC[N@H+](C)CC2)CC1 ZINC000339932653 519842708 /nfs/dbraw/zinc/84/27/08/519842708.db2.gz PVELEDCFVXLAEF-UHFFFAOYSA-N 2 0 296.459 1.456 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H](C)[C@@H]2[NH3+])CC1 ZINC000055141537 519845850 /nfs/dbraw/zinc/84/58/50/519845850.db2.gz QGVRIBMVXXTYEK-YUELXQCFSA-N 2 0 281.444 1.741 10 0 CDAERP CCC[NH+]1CCN(c2ncc([C@H](C)[NH2+]C)s2)CC1 ZINC000054899190 519860657 /nfs/dbraw/zinc/86/06/57/519860657.db2.gz VCHNSWYLOURUMG-NSHDSACASA-N 2 0 268.430 1.956 10 0 CDAERP CCCNC(=O)CC[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]CC)C2 ZINC000054629081 519870890 /nfs/dbraw/zinc/87/08/90/519870890.db2.gz HGPJHONIAIVJEA-AGUYFDCRSA-N 2 0 267.417 1.508 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@@H](COCCC[NH+](C)C)O1 ZINC000052672637 519938621 /nfs/dbraw/zinc/93/86/21/519938621.db2.gz NINOQHBTHLNVGK-KGLIPLIRSA-N 2 0 258.406 1.502 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000061233477 519966938 /nfs/dbraw/zinc/96/69/38/519966938.db2.gz UNWJWHQRAOAVIX-LBPRGKRZSA-N 2 0 263.385 1.932 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@@H](COC2CC[NH+](C)CC2)O1 ZINC000052596862 519980231 /nfs/dbraw/zinc/98/02/31/519980231.db2.gz MQYQBLJEKOWDAP-KGLIPLIRSA-N 2 0 256.390 1.254 10 0 CDAERP CC[NH2+]Cc1cccc(CN2CC[NH+](CC)CC2)c1 ZINC000052422286 520004855 /nfs/dbraw/zinc/00/48/55/520004855.db2.gz YEGPATHPYKNPGY-UHFFFAOYSA-N 2 0 261.413 1.934 10 0 CDAERP CC[NH2+][C@H](CN1CC[NH+](C(C)(C)C)CC1)C1CC1 ZINC000069074199 520195891 /nfs/dbraw/zinc/19/58/91/520195891.db2.gz IYLPLAYAFYEXAM-CQSZACIVSA-N 2 0 253.434 1.791 10 0 CDAERP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N1CCN(CC[NH+](C)C)CC1 ZINC000061644015 520220224 /nfs/dbraw/zinc/22/02/24/520220224.db2.gz TUIWYNUUKADSGK-ULQDDVLXSA-N 2 0 296.503 1.332 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@H]1CCC[C@H](CC[NH3+])C1 ZINC000055145725 520618573 /nfs/dbraw/zinc/61/85/73/520618573.db2.gz WSMNVIMVIOWJOJ-CABCVRRESA-N 2 0 283.460 1.990 10 0 CDAERP CCC[C@@H](CN1CC[C@H]([NH+]2CCCCC2)C1)[NH2+]C ZINC000062979490 520705825 /nfs/dbraw/zinc/70/58/25/520705825.db2.gz KSZXYYAIUNIVTH-GJZGRUSLSA-N 2 0 253.434 1.935 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@H]2C[C@H]([NH3+])CC[C@@H]2C)CC1 ZINC000055140058 521552008 /nfs/dbraw/zinc/55/20/08/521552008.db2.gz SLBZBLDMVNTZAD-CFVMTHIKSA-N 2 0 281.444 1.598 10 0 CDAERP CC[NH+]1CCC(N(C)Cc2ccoc2C[NH2+]C)CC1 ZINC000052544002 521564926 /nfs/dbraw/zinc/56/49/26/521564926.db2.gz STPKYGPUCYXIQI-UHFFFAOYSA-N 2 0 265.401 1.915 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1c1ccc(C[NH2+]C2CC2)cn1 ZINC000061654227 521874303 /nfs/dbraw/zinc/87/43/03/521874303.db2.gz FXBUNHZMWASQBH-OAHLLOKOSA-N 2 0 274.412 1.864 10 0 CDAERP C[NH+](C)Cc1cccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000156200560 521913373 /nfs/dbraw/zinc/91/33/73/521913373.db2.gz WFRVEPSOYNBRAM-OAHLLOKOSA-N 2 0 275.396 1.524 10 0 CDAERP C[NH2+]CC1(C[N@H+](CCOC)C2CC2)CCOCC1 ZINC000052183079 521968862 /nfs/dbraw/zinc/96/88/62/521968862.db2.gz HMOLDAVDRGZUSR-UHFFFAOYSA-N 2 0 256.390 1.113 10 0 CDAERP C[NH2+]C[C@H]1CC[C@H](C[N@H+](C)CCc2ccccn2)O1 ZINC000052423952 522096372 /nfs/dbraw/zinc/09/63/72/522096372.db2.gz UHKUQYXLIHEQJS-HUUCEWRRSA-N 2 0 263.385 1.323 10 0 CDAERP CC[C@@H](C)[NH+]1CCN([C@@H](C[NH3+])c2ccncc2)CC1 ZINC000055064107 522128155 /nfs/dbraw/zinc/12/81/55/522128155.db2.gz IQHHDBYXSOGKCH-HIFRSBDPSA-N 2 0 262.401 1.498 10 0 CDAERP CC[C@@H](C)[NH+]1CCN([C@@H](C[NH3+])CCSC)CC1 ZINC000055064337 522129409 /nfs/dbraw/zinc/12/94/09/522129409.db2.gz ARZVQGZDJSPEIH-CHWSQXEVSA-N 2 0 259.463 1.483 10 0 CDAERP C[NH2+]Cc1sc(N(C)C2CC[NH+](C)CC2)nc1C ZINC000054994891 522164941 /nfs/dbraw/zinc/16/49/41/522164941.db2.gz NMQHGOLRADGUBI-UHFFFAOYSA-N 2 0 268.430 1.701 10 0 CDAERP CC[C@@H]1CC[C@H]([NH3+])[C@H](N2CCN(CC[NH+](C)C)CC2)C1 ZINC000061643874 523367741 /nfs/dbraw/zinc/36/77/41/523367741.db2.gz ROWVKALLDWSOLB-OWCLPIDISA-N 2 0 282.476 1.072 10 0 CDAERP COCC[N@H+](CCCC[NH2+]CC(C)C)[C@@H](C)COC ZINC000052572260 523694041 /nfs/dbraw/zinc/69/40/41/523694041.db2.gz BFEFGORYXLZDRL-HNNXBMFYSA-N 2 0 274.449 1.996 10 0 CDAERP COCC[NH+](CCOC)C[C@@H](C)C[NH2+]CC(C)C ZINC000052571376 523717032 /nfs/dbraw/zinc/71/70/32/523717032.db2.gz LNRCOEOFGLBQBR-AWEZNQCLSA-N 2 0 260.422 1.463 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[C@H]([NH3+])C(C)C)C1 ZINC000713062780 687620881 /nfs/dbraw/zinc/62/08/81/687620881.db2.gz WIMHDLSQZBMZMS-CHWSQXEVSA-N 2 0 269.433 1.596 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000052882986 523795532 /nfs/dbraw/zinc/79/55/32/523795532.db2.gz DGSDOFKUAQWVED-ZBFHGGJFSA-N 2 0 275.396 1.461 10 0 CDAERP CC[C@H](C)[NH+]1CCN([C@@H](C[NH3+])c2cccnc2)CC1 ZINC000055064059 523957909 /nfs/dbraw/zinc/95/79/09/523957909.db2.gz RSLNKHIJXORBON-ZFWWWQNUSA-N 2 0 262.401 1.498 10 0 CDAERP C[NH+](C)CC1CCN(C(=O)[C@H]2CCC[C@H](CC[NH3+])C2)CC1 ZINC000055161522 524048932 /nfs/dbraw/zinc/04/89/32/524048932.db2.gz TXSQXIIGWHCWPV-ZBFHGGJFSA-N 2 0 295.471 1.942 10 0 CDAERP C[NH+](C)CC1CCN([C@@]2(C[NH3+])CCCSC2)CC1 ZINC000061590214 524049904 /nfs/dbraw/zinc/04/99/04/524049904.db2.gz BVLOXJBCNBCOAF-CQSZACIVSA-N 2 0 271.474 1.485 10 0 CDAERP C[NH+](C)CCCCNC(=O)[C@@H]1CCC[C@@H](C[NH3+])C1 ZINC000055162584 524052223 /nfs/dbraw/zinc/05/22/23/524052223.db2.gz XQNSMGLBIUDZSS-CHWSQXEVSA-N 2 0 255.406 1.210 10 0 CDAERP C[C@@H]1CCCC[C@]1(C[NH3+])N1CCN(CC[NH+](C)C)CC1 ZINC000061643200 524179009 /nfs/dbraw/zinc/17/90/09/524179009.db2.gz GUTNKGJXBQFJLQ-HZPDHXFCSA-N 2 0 282.476 1.073 10 0 CDAERP Cc1cc(C)c(C(N)=[NH2+])c(N2CC[NH+](CC(C)C)CC2)n1 ZINC000055079664 524218923 /nfs/dbraw/zinc/21/89/23/524218923.db2.gz VMBWOIHPYOKDLW-UHFFFAOYSA-N 2 0 289.427 1.761 10 0 CDAERP C[C@@H](CCC[NH3+])[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062036442 524456223 /nfs/dbraw/zinc/45/62/23/524456223.db2.gz AXBCTIKETPKCLK-AWEZNQCLSA-N 3 0 253.434 1.922 10 0 CDAERP C[C@@H]1CC[C@@H]([NH3+])C[C@@H]1C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000061656200 524602488 /nfs/dbraw/zinc/60/24/88/524602488.db2.gz NAEHVNZJHRXBNQ-SYQHCUMBSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@@H]1CC[C@H](C(=O)NCC[NH+]2CCCCC2)C[C@@H]1[NH3+] ZINC000055138332 524634592 /nfs/dbraw/zinc/63/45/92/524634592.db2.gz LLDBWXYBCJWFJJ-RDBSUJKOSA-N 2 0 267.417 1.352 10 0 CDAERP C[C@H]([NH3+])[C@H](c1cccs1)N1CC[C@H]([NH+](C)C)C1 ZINC000062964115 524854696 /nfs/dbraw/zinc/85/46/96/524854696.db2.gz GKHQCMLTYCEPQT-GMXVVIOVSA-N 2 0 253.415 1.772 10 0 CDAERP C[C@H]1C[C@H](C(=O)NC[C@@H]2CCC[N@H+](C)C2)CC[C@@H]1[NH3+] ZINC000055138488 524868625 /nfs/dbraw/zinc/86/86/25/524868625.db2.gz BHQKAIZBJLHKKB-FQUUOJAGSA-N 2 0 267.417 1.208 10 0 CDAERP C[C@H]1C[C@H]([NH3+])CC[C@@H]1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000055123289 524904636 /nfs/dbraw/zinc/90/46/36/524904636.db2.gz SDERAKWSXUZDGF-SCRDCRAPSA-N 2 0 267.417 1.303 10 0 CDAERP COc1ncc(C[NH+]2CCC(CC[NH+](C)C)CC2)c(C)n1 ZINC000337132433 525008497 /nfs/dbraw/zinc/00/84/97/525008497.db2.gz KFQITAYLBJVZRR-UHFFFAOYSA-N 2 0 292.427 1.957 10 0 CDAERP C[C@H]1[C@H]([N@@H+]2CCC[C@@H]2C(=O)N2CC[NH2+]CC2)CCC[C@@H]1C ZINC000068632439 525107109 /nfs/dbraw/zinc/10/71/09/525107109.db2.gz IXRYXVAIMYEURK-ZJIFWQFVSA-N 2 0 293.455 1.707 10 0 CDAERP C[C@H]([NH2+]CCN1CCC[C@@H]1C[NH+](C)C)[C@H]1CCCO1 ZINC000061655206 525352174 /nfs/dbraw/zinc/35/21/74/525352174.db2.gz ANCISFONQUQWRE-RRFJBIMHSA-N 2 0 269.433 1.170 10 0 CDAERP C[C@@]([NH3+])(C(=O)NCC[NH+]1CCCCCC1)c1ccccc1 ZINC000052882640 525746146 /nfs/dbraw/zinc/74/61/46/525746146.db2.gz CQGOSJYCKWMMBD-KRWDZBQOSA-N 2 0 289.423 1.853 10 0 CDAERP [NH3+]C1CCC(CC(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000055136227 527139148 /nfs/dbraw/zinc/13/91/48/527139148.db2.gz VZJDTMHUBKMUJJ-UHFFFAOYSA-N 2 0 281.444 1.886 10 0 CDAERP [NH3+]CC1(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CCCCC1 ZINC000062976480 527162317 /nfs/dbraw/zinc/16/23/17/527162317.db2.gz DHWAQKRPYOQTDO-CQSZACIVSA-N 2 0 279.428 1.592 10 0 CDAERP [NH3+]C[C@H]1CC[C@@H](C[N@H+](Cc2ccco2)C2CC2)O1 ZINC000052370874 527238865 /nfs/dbraw/zinc/23/88/65/527238865.db2.gz STGUKSOQRRNFLF-OCCSQVGLSA-N 2 0 250.342 1.750 10 0 CDAERP [NH3+]C[C@H]1CC[C@@H](CN2CCC([NH+]3CCCCC3)CC2)O1 ZINC000052484217 527239316 /nfs/dbraw/zinc/23/93/16/527239316.db2.gz FPFQHUKQCKMDSR-CVEARBPZSA-N 2 0 281.444 1.443 10 0 CDAERP [NH3+]Cc1cc(CN2CCC([NH+]3CCCCC3)CC2)ccn1 ZINC000068749799 527247344 /nfs/dbraw/zinc/24/73/44/527247344.db2.gz WYZHBQVYJGEFTN-UHFFFAOYSA-N 2 0 288.439 1.991 10 0 CDAERP [NH3+][C@@H]1CCC[C@H](CC(=O)N[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000055123569 527357751 /nfs/dbraw/zinc/35/77/51/527357751.db2.gz VFLBUQNXJBWKSX-IACUBPJLSA-N 2 0 265.401 1.104 10 0 CDAERP [NH3+][C@H]1CCC[C@H](CC(=O)NCC[NH+]2CCCCC2)C1 ZINC000055138393 527406020 /nfs/dbraw/zinc/40/60/20/527406020.db2.gz BZYMKASQCQNIHL-KBPBESRZSA-N 2 0 267.417 1.496 10 0 CDAERP CC(C)[NH+]1CCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000418452105 535184903 /nfs/dbraw/zinc/18/49/03/535184903.db2.gz NPKBWEHBLRHJRQ-OAHLLOKOSA-N 2 0 290.411 1.422 10 0 CDAERP CC(C)[NH+]1CCN(C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000418452103 535186511 /nfs/dbraw/zinc/18/65/11/535186511.db2.gz NPKBWEHBLRHJRQ-HNNXBMFYSA-N 2 0 290.411 1.422 10 0 CDAERP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000418695472 535719286 /nfs/dbraw/zinc/71/92/86/535719286.db2.gz JIRUMDQWIRMULJ-STQMWFEESA-N 2 0 270.421 1.240 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCN1CCc2sccc2C1 ZINC000422728473 536595007 /nfs/dbraw/zinc/59/50/07/536595007.db2.gz ABMDMSPLDMSHMN-CQSZACIVSA-N 2 0 297.468 1.450 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](C)N1CCC(C)CC1 ZINC000422781469 536596677 /nfs/dbraw/zinc/59/66/77/536596677.db2.gz KSPJQXQRESRKKJ-LSDHHAIUSA-N 2 0 271.449 1.450 10 0 CDAERP [NH3+]Cc1ccc(-c2noc([C@@H]3CC34C[NH2+]C4)n2)cc1 ZINC000647158945 545501983 /nfs/dbraw/zinc/50/19/83/545501983.db2.gz ZYTILHIEMQEIMH-NSHDSACASA-N 2 0 256.309 1.272 10 0 CDAERP Cc1nn(C)c2sc([C@@H]3[NH2+]CCC[C@H]3C[NH3+])cc12 ZINC000757207142 574904932 /nfs/dbraw/zinc/90/49/32/574904932.db2.gz BARUIZOPRYEWPM-JOYOIKCWSA-N 2 0 264.398 1.943 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001689802847 1175262077 /nfs/dbraw/zinc/26/20/77/1175262077.db2.gz JWOXZDVRCSWGNL-RBSFLKMASA-N 2 0 283.460 1.811 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCCCF)C1 ZINC001690035372 1175351666 /nfs/dbraw/zinc/35/16/66/1175351666.db2.gz SHSNHMGRCAZGKT-GJZGRUSLSA-N 2 0 299.434 1.801 10 0 CDAERP C[NH+](C)C1(CN[C@H]2CC[NH2+]C23CCC3)Cc2ccccc2C1 ZINC000925521574 617434089 /nfs/dbraw/zinc/43/40/89/617434089.db2.gz NUSMWYRWGVAGSV-KRWDZBQOSA-N 2 0 299.462 1.960 10 0 CDAERP CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)C(=O)N1CCOCC1 ZINC000925542948 617487080 /nfs/dbraw/zinc/48/70/80/617487080.db2.gz SAMDQUSHLUHCCL-MCIONIFRSA-N 2 0 297.443 1.119 10 0 CDAERP c1cnn(CC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925619985 617566549 /nfs/dbraw/zinc/56/65/49/617566549.db2.gz CHHRXZPLEBZGAK-HUUCEWRRSA-N 2 0 262.401 1.641 10 0 CDAERP CC1(C)[C@@H]([NH2+][C@H]2CCn3ccnc3C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925642338 617585738 /nfs/dbraw/zinc/58/57/38/617585738.db2.gz FZVPMQLWEKRPRR-NEBZKDRISA-N 2 0 274.412 1.564 10 0 CDAERP CC1(C)C[C@@H]([NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)C[C@@H]([NH3+])C1 ZINC000925726421 617961766 /nfs/dbraw/zinc/96/17/66/617961766.db2.gz SMQUZHYHSAJEDW-RXYLYMLMSA-N 2 0 264.413 1.905 10 0 CDAERP CC(=O)NCCCCC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000931076173 617596005 /nfs/dbraw/zinc/59/60/05/617596005.db2.gz NUPVPWWGWROQNQ-MRXNPFEDSA-N 2 0 299.459 1.335 10 0 CDAERP CCn1cccc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)c1=O ZINC000925654747 617597187 /nfs/dbraw/zinc/59/71/87/617597187.db2.gz CKQWXQIZSANMBB-UONOGXRCSA-N 2 0 277.412 1.864 10 0 CDAERP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1CCc3nc[nH]c3C1)[NH2+]2 ZINC000925669099 617625668 /nfs/dbraw/zinc/62/56/68/617625668.db2.gz OYRWHYOUXJKMCY-OJROKELRSA-N 2 0 260.385 1.386 10 0 CDAERP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCc1cc(N)cc[nH+]1 ZINC000925769130 617627076 /nfs/dbraw/zinc/62/70/76/617627076.db2.gz YNPLXFCUOHBODY-WBMJQRKESA-N 2 0 270.380 1.712 10 0 CDAERP CC1(C)C[C@@H]([NH2+][C@H]2CCCN(CCCO)C2)C[C@@H]([NH3+])C1 ZINC000925678135 617647175 /nfs/dbraw/zinc/64/71/75/617647175.db2.gz CPZIYHVJPIOBHA-ILXRZTDVSA-N 2 0 283.460 1.329 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H](NC[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC000925679524 617649561 /nfs/dbraw/zinc/64/95/61/617649561.db2.gz JEOXAYWPEZDRSP-KFWWJZLASA-N 2 0 283.460 1.329 10 0 CDAERP CC1(C)[C@H](NC[C@@H]2CCCC[NH2+]2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925690818 617695146 /nfs/dbraw/zinc/69/51/46/617695146.db2.gz HTTKTKHUJBGZKA-RFQIPJPRSA-N 2 0 251.418 1.495 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCS(=O)(=O)C2CC2)C1 ZINC000925691203 617695572 /nfs/dbraw/zinc/69/55/72/617695572.db2.gz NLAFJQKXANKMBM-GHMZBOCLSA-N 2 0 274.430 1.059 10 0 CDAERP C[C@H]1CC(C)(C)C[C@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925810914 617753773 /nfs/dbraw/zinc/75/37/73/617753773.db2.gz GZPUEOJHHKGFRV-GXTWGEPZSA-N 2 0 253.434 1.824 10 0 CDAERP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925811102 617753975 /nfs/dbraw/zinc/75/39/75/617753975.db2.gz GZPUEOJHHKGFRV-OCCSQVGLSA-N 2 0 253.434 1.824 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCC2=CC[NH2+]CC2)C1 ZINC000925703253 617765229 /nfs/dbraw/zinc/76/52/29/617765229.db2.gz COWWVBDOKRIWME-KBPBESRZSA-N 3 0 251.418 1.792 10 0 CDAERP COC[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C1CCOCC1 ZINC000925707830 617797527 /nfs/dbraw/zinc/79/75/27/617797527.db2.gz PNAZDLBEKBWUIL-OSLXHZNNSA-N 2 0 280.412 1.014 10 0 CDAERP CCO[C@H](CN[C@@H](C)c1ccc(C[NH3+])nc1C)C[NH+](C)C ZINC000925836815 617867096 /nfs/dbraw/zinc/86/70/96/617867096.db2.gz DICMBHCCRJDVHY-SWLSCSKDSA-N 2 0 294.443 1.466 10 0 CDAERP C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cncs1 ZINC000925849702 617885738 /nfs/dbraw/zinc/88/57/38/617885738.db2.gz FAIDMQCXFYEVBL-WDEREUQCSA-N 2 0 295.408 1.479 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925883098 617969720 /nfs/dbraw/zinc/96/97/20/617969720.db2.gz VNDKBAAJEOTVFT-LQKXBSAESA-N 3 0 261.413 1.761 10 0 CDAERP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC1(CC2CC2)CC1 ZINC000925732855 618046132 /nfs/dbraw/zinc/04/61/32/618046132.db2.gz DWBJPVQUPOQVLV-YUTCNCBUSA-N 2 0 252.402 1.909 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccnc(-c2ccccn2)n1 ZINC000925762742 618130151 /nfs/dbraw/zinc/13/01/51/618130151.db2.gz NSQOVILWEDCPHV-GXTWGEPZSA-N 2 0 283.379 1.756 10 0 CDAERP [NH3+]CCN(CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC(F)(F)F ZINC000923424893 618328758 /nfs/dbraw/zinc/32/87/58/618328758.db2.gz UQYXCCYWPUZELV-YOGCLGLASA-N 2 0 279.350 1.730 10 0 CDAERP CC(C)CC[C@H](O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000923427119 618332362 /nfs/dbraw/zinc/33/23/62/618332362.db2.gz RNJPOBQFVRXMLL-SDDRHHMPSA-N 2 0 282.350 1.853 10 0 CDAERP C[C@H](C[NH2+]C1CC2(C1)CO[C@@H](C)C2)CN1CC[NH+](C)CC1 ZINC000924951498 618378458 /nfs/dbraw/zinc/37/84/58/618378458.db2.gz MJEFHKFLYRULHY-XNIRIUNOSA-N 2 0 295.471 1.417 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@H](C)c2cnnn2C)CC1 ZINC000924956722 618399572 /nfs/dbraw/zinc/39/95/72/618399572.db2.gz YETZARABLFUHEH-GFCCVEGCSA-N 2 0 265.405 1.588 10 0 CDAERP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000925040677 618825878 /nfs/dbraw/zinc/82/58/78/618825878.db2.gz KGPMUQOKHNJMMS-QSJFSLAZSA-N 2 0 295.471 1.416 10 0 CDAERP CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000897634724 621042114 /nfs/dbraw/zinc/04/21/14/621042114.db2.gz NCGZISBOCVZBHK-UONOGXRCSA-N 2 0 299.459 1.068 10 0 CDAERP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCOC23CCOCC3)C1 ZINC000924706941 621681026 /nfs/dbraw/zinc/68/10/26/621681026.db2.gz RWRXAERVZKIETG-KGLIPLIRSA-N 2 0 268.401 1.256 10 0 CDAERP C[NH+](C)[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C12CCC2 ZINC000898825884 621888914 /nfs/dbraw/zinc/88/89/14/621888914.db2.gz LJFSJSZGBPRDME-AVGNSLFASA-N 2 0 265.401 1.070 10 0 CDAERP C[C@H]1[C@@H](NC(=O)NC2CCC(C)([NH+](C)C)CC2)CC[N@@H+]1C ZINC000923902674 622411461 /nfs/dbraw/zinc/41/14/61/622411461.db2.gz PJUPSLRSGMAUFX-REWIBIJMSA-N 2 0 296.459 1.641 10 0 CDAERP CC(C)[NH+](CCNC(=O)C[C@]1(O)CCC[N@H+](C)C1)C(C)C ZINC000900012789 622618141 /nfs/dbraw/zinc/61/81/41/622618141.db2.gz LKDLWBXZWMWVCO-MRXNPFEDSA-N 2 0 299.459 1.068 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)C1CC1 ZINC000900367635 622930010 /nfs/dbraw/zinc/93/00/10/622930010.db2.gz SHPBQRUPOPIEEO-KBPBESRZSA-N 2 0 265.401 1.214 10 0 CDAERP CC(C)(C)[N@@H+]1CCCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000900428826 623042420 /nfs/dbraw/zinc/04/24/20/623042420.db2.gz ZDUFVEFMKKWNGS-UHFFFAOYSA-N 2 0 279.428 1.415 10 0 CDAERP C1CC1[C@H]1COC[C@H]1[NH2+][C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000902517557 624917355 /nfs/dbraw/zinc/91/73/55/624917355.db2.gz JJXBCKLSHDDVJT-XFIYOXNOSA-N 2 0 264.413 1.922 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000903426981 625989033 /nfs/dbraw/zinc/98/90/33/625989033.db2.gz OROOYWQWZXHRAD-ZBFHGGJFSA-N 2 0 293.455 1.566 10 0 CDAERP CC(C)(C)C(=O)N1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903430493 625989926 /nfs/dbraw/zinc/98/99/26/625989926.db2.gz UKOHVAXUYJCAKF-OLZOCXBDSA-N 2 0 267.417 1.304 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000903437815 625991767 /nfs/dbraw/zinc/99/17/67/625991767.db2.gz MQMMKEADVYRADA-ILXRZTDVSA-N 2 0 279.428 1.176 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN(CCc3ccccc3)CC2)C1 ZINC000903441278 625992924 /nfs/dbraw/zinc/99/29/24/625992924.db2.gz KWYZKDRIFCMGIK-ZWKOTPCHSA-N 2 0 287.451 1.974 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@H]2C(=O)Nc2nccs2)C1 ZINC000903442429 625997164 /nfs/dbraw/zinc/99/71/64/625997164.db2.gz PXCYTDMSYXAUAM-TUAOUCFPSA-N 2 0 294.424 1.673 10 0 CDAERP Cn1nc(CN2CCC[C@@H](CC[NH3+])C2)cc1C(F)(F)F ZINC000903450627 626000507 /nfs/dbraw/zinc/00/05/07/626000507.db2.gz YSJMIQVDHZCZHO-JTQLQIEISA-N 2 0 290.333 2.000 10 0 CDAERP C([NH2+][C@H]1CC[NH2+]C12CCCC2)[C@H]1C[C@]12CCOC2 ZINC000903481957 626006516 /nfs/dbraw/zinc/00/65/16/626006516.db2.gz RVOCUZXNQQMHFM-RDBSUJKOSA-N 2 0 250.386 1.677 10 0 CDAERP C([C@@H]1CCCC[NH2+]C1)[N@@H+]1CCOCC2(CCC2)C1 ZINC000903757733 626087892 /nfs/dbraw/zinc/08/78/92/626087892.db2.gz GPIKOPFTUOJJRV-CQSZACIVSA-N 2 0 252.402 1.879 10 0 CDAERP CC(C)[C@@H](C)[N@H+](C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903880931 626130821 /nfs/dbraw/zinc/13/08/21/626130821.db2.gz XMPSEUMEJXHJTL-OLZOCXBDSA-N 2 0 265.405 1.679 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@@H+](C)[C@@H](C)C2CC2)cnn1C ZINC000903884189 626132429 /nfs/dbraw/zinc/13/24/29/626132429.db2.gz UKYFBQUICKCEGJ-WCQYABFASA-N 2 0 264.417 1.576 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCC[C@@H]2C)cnn1C ZINC000903892827 626134597 /nfs/dbraw/zinc/13/45/97/626134597.db2.gz NAAIXFGWUFEGBY-AAEUAGOBSA-N 2 0 250.390 1.330 10 0 CDAERP CCCCN(CCOC)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903893614 626135032 /nfs/dbraw/zinc/13/50/32/626135032.db2.gz XGMQXSNHUGGLAL-CQSZACIVSA-N 2 0 295.431 1.451 10 0 CDAERP O=C1[C@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]2CCCCN12 ZINC000903930062 626150872 /nfs/dbraw/zinc/15/08/72/626150872.db2.gz RCFMVEHUHIJVPM-OLMTUDMXSA-N 2 0 277.412 1.260 10 0 CDAERP [NH3+]C[C@@H](NCc1cccc2c1CC[NH2+]C2)C(F)(F)F ZINC000903932090 626151333 /nfs/dbraw/zinc/15/13/33/626151333.db2.gz MCXYASMIDQXWRT-GFCCVEGCSA-N 2 0 273.302 1.312 10 0 CDAERP [NH3+][C@@H](CNc1ccc([C@H]2C[NH2+]CCO2)cc1)CC(F)F ZINC000903933806 626152897 /nfs/dbraw/zinc/15/28/97/626152897.db2.gz VXFVPDSZVSZCLZ-DGCLKSJQSA-N 2 0 285.338 1.742 10 0 CDAERP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@@H+]1CCCC2(CC2)CC1 ZINC000903935078 626153328 /nfs/dbraw/zinc/15/33/28/626153328.db2.gz LZDQIDSZAUBVNN-AWEZNQCLSA-N 2 0 289.427 1.969 10 0 CDAERP CSC1CC[NH+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903935669 626153788 /nfs/dbraw/zinc/15/37/88/626153788.db2.gz SDXPHDRAEGJPLP-CYBMUJFWSA-N 2 0 296.484 1.673 10 0 CDAERP CC1(C)C[C@@H](O)C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903938049 626155773 /nfs/dbraw/zinc/15/57/73/626155773.db2.gz YIBOXYOYHGEDMC-WTUNAVPPSA-N 2 0 252.402 1.610 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000903967474 626172270 /nfs/dbraw/zinc/17/22/70/626172270.db2.gz JSOCNRBVVXWPQI-GZBLMMOJSA-N 3 0 251.418 1.352 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H]([C@]3(C)COC(=O)N3)C2)CC[NH2+]1 ZINC000903986500 626174443 /nfs/dbraw/zinc/17/44/43/626174443.db2.gz LACOLBLTINSGAX-KQTLUZQSSA-N 2 0 295.427 1.585 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCCS1 ZINC000905047451 626385168 /nfs/dbraw/zinc/38/51/68/626385168.db2.gz KUFRCSGKKYWXEC-QWHCGFSZSA-N 2 0 284.473 1.870 10 0 CDAERP C(c1noc([C@H]2C[C@@]23CC[NH2+]C3)n1)C1CC[NH2+]CC1 ZINC000905314331 626744501 /nfs/dbraw/zinc/74/45/01/626744501.db2.gz NXWCJWPCOWCAFI-BXUZGUMPSA-N 2 0 262.357 1.079 10 0 CDAERP CC1(C)C[NH2+]C[C@H]1c1nc(C2([NH3+])CCCC2)no1 ZINC000905306293 626756933 /nfs/dbraw/zinc/75/69/33/626756933.db2.gz YIWZUZXNMAHQNA-VIFPVBQESA-N 2 0 250.346 1.511 10 0 CDAERP CC1(C)C[NH2+]C[C@@H]1c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000905308058 626757719 /nfs/dbraw/zinc/75/77/19/626757719.db2.gz WDNLEHJGBWCFJP-GFCCVEGCSA-N 2 0 272.352 1.908 10 0 CDAERP CC(C)[C@@H](c1nc(CC2CC[NH2+]CC2)no1)[C@@H](C)[NH3+] ZINC000905309551 626758665 /nfs/dbraw/zinc/75/86/65/626758665.db2.gz YCJLTVJGOLIJCN-ZWNOBZJWSA-N 2 0 266.389 1.699 10 0 CDAERP CCCN(CCC[NH+](C)C)C(=O)C12CC[NH+](CC1)C2 ZINC000907657142 627768048 /nfs/dbraw/zinc/76/80/48/627768048.db2.gz BWZZANPRFHXQQE-UHFFFAOYSA-N 2 0 267.417 1.273 10 0 CDAERP C[NH+](C)C1CC(NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000908011341 627972533 /nfs/dbraw/zinc/97/25/33/627972533.db2.gz NNFZPFXKHFIJEP-UHFFFAOYSA-N 2 0 267.417 1.460 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH+](C)C)C12CCC2)[NH+](C)C ZINC000912600115 630084623 /nfs/dbraw/zinc/08/46/23/630084623.db2.gz CAKOALGWCZUACS-RWMBFGLXSA-N 2 0 267.417 1.316 10 0 CDAERP C[C@@H](C(=O)N1[C@H](C)CCC[C@H]1CC[NH+](C)C)[NH+](C)C ZINC000912648045 630125037 /nfs/dbraw/zinc/12/50/37/630125037.db2.gz CSLYYJVKRJCAJW-RDBSUJKOSA-N 2 0 269.433 1.658 10 0 CDAERP CC(C)[C@@H](C(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1)[NH+](C)C ZINC000913281713 630432335 /nfs/dbraw/zinc/43/23/35/630432335.db2.gz BYABBJGDKYOHON-BPUTZDHNSA-N 2 0 281.444 1.373 10 0 CDAERP O[C@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)C1(O)CCC1 ZINC000929720418 630712415 /nfs/dbraw/zinc/71/24/15/630712415.db2.gz WSKPMEALTAJWBT-LSDHHAIUSA-N 2 0 282.428 1.070 10 0 CDAERP CC(C)[C@@H](C(=O)NC12CC[NH+](CC1)C2)[NH+]1CCCCC1 ZINC000913628545 630718498 /nfs/dbraw/zinc/71/84/98/630718498.db2.gz HWKYPXBDVMJUMI-AWEZNQCLSA-N 2 0 279.428 1.461 10 0 CDAERP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCN1c1cc[nH+]cc1 ZINC000915279782 631689464 /nfs/dbraw/zinc/68/94/64/631689464.db2.gz ZZVSXLSGWNICEF-CQSZACIVSA-N 2 0 288.395 1.215 10 0 CDAERP COCC[N@@H+]1CCC[C@H]1CN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925474597 632699185 /nfs/dbraw/zinc/69/91/85/632699185.db2.gz CTVUVRRBOIEFJL-XUWVNRHRSA-N 2 0 295.471 1.463 10 0 CDAERP CN(CCNC(=[NH2+])NC[C@@H]1CCCO1)Cc1ccccc1 ZINC000848997011 685283844 /nfs/dbraw/zinc/28/38/44/685283844.db2.gz HFJSGONIIRYXJU-HNNXBMFYSA-N 2 0 290.411 1.411 10 0 CDAERP Cc1cncc([C@@H](C)[NH2+]CCN2CCC([NH3+])CC2)c1 ZINC000925813389 685289811 /nfs/dbraw/zinc/28/98/11/685289811.db2.gz UTZVYMJVGBLALL-CYBMUJFWSA-N 2 0 262.401 1.464 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC[C@H]1CCOC1 ZINC000849018282 685303256 /nfs/dbraw/zinc/30/32/56/685303256.db2.gz YPPPMMVCCWJEIC-STQMWFEESA-N 2 0 268.405 1.011 10 0 CDAERP C(C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1)O[C@H]1CCOC1 ZINC000923510165 685357481 /nfs/dbraw/zinc/35/74/81/685357481.db2.gz WBGNWADHIJYFJT-WBVHZDCISA-N 2 0 296.455 1.894 10 0 CDAERP Cc1cc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)cn2ccnc12 ZINC000931553781 685437051 /nfs/dbraw/zinc/43/70/51/685437051.db2.gz HKONQZGCWHRABU-DGCLKSJQSA-N 2 0 287.367 1.857 10 0 CDAERP CC[C@@H]1CCN(C(=[NH2+])NC[C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000864455062 686764615 /nfs/dbraw/zinc/76/46/15/686764615.db2.gz FNDOJTFHENNIEK-KGLIPLIRSA-N 2 0 266.433 1.973 10 0 CDAERP CC(C)(C)C(=O)CCN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000852707412 685448390 /nfs/dbraw/zinc/44/83/90/685448390.db2.gz HXBHTLNYDIVMLX-CQSZACIVSA-N 2 0 282.428 1.523 10 0 CDAERP C(C[C@H]1CCSC1)[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000873236331 685469965 /nfs/dbraw/zinc/46/99/65/685469965.db2.gz WHQYNIUUIOBAMI-ZQDZILKHSA-N 2 0 284.469 1.876 10 0 CDAERP C[N@H+](CCCCCC[NH3+])CC(=O)NCC(F)(F)F ZINC000710800213 685474405 /nfs/dbraw/zinc/47/44/05/685474405.db2.gz UCPYCCWXIBYRCA-UHFFFAOYSA-N 2 0 269.311 1.116 10 0 CDAERP CC(C)COC[C@H](O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000923364452 685554479 /nfs/dbraw/zinc/55/44/79/685554479.db2.gz ADVFZPMXRSFWJZ-HUUCEWRRSA-N 2 0 270.417 1.095 10 0 CDAERP C[N@@H+]1C[C@@]2(C)CN(C[C@@](C)(O)C(F)(F)F)C[C@@]2(C)C1 ZINC000705678769 685606665 /nfs/dbraw/zinc/60/66/65/685606665.db2.gz IGTDEITVKNPPPA-GRYCIOLGSA-N 2 0 280.334 1.573 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001670686513 1158692608 /nfs/dbraw/zinc/69/26/08/1158692608.db2.gz GTECZKLLCZMFTE-APHBUQMISA-N 2 0 293.455 1.875 10 0 CDAERP CC(C)C[NH+](C)[C@H](C)CNC(=O)C[N@@H+](C)CC(C)C ZINC000929361498 684380602 /nfs/dbraw/zinc/38/06/02/684380602.db2.gz GWQMMLAQGGXOOA-CQSZACIVSA-N 2 0 271.449 1.667 10 0 CDAERP CC1CC[NH+](CCNC(=O)[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000711277825 684401077 /nfs/dbraw/zinc/40/10/77/684401077.db2.gz CIHIUCIJBAREEE-CYBMUJFWSA-N 2 0 267.417 1.080 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCCCCN2CC[NH2+]CC2)C1 ZINC000925844084 684423682 /nfs/dbraw/zinc/42/36/82/684423682.db2.gz VNKUYAKJELDLCZ-HZPDHXFCSA-N 3 0 296.503 1.558 10 0 CDAERP Cc1cc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)nn1C ZINC000922684970 684424933 /nfs/dbraw/zinc/42/49/33/684424933.db2.gz DOEQYDQDDIGNIC-ZFWWWQNUSA-N 2 0 262.401 1.487 10 0 CDAERP COCC[C@@H]1CCC[C@@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925810716 684451023 /nfs/dbraw/zinc/45/10/23/684451023.db2.gz FQTUVYXBOIGFQU-ZFWWWQNUSA-N 2 0 269.433 1.204 10 0 CDAERP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCC(=O)N1CCc3ccccc31)C2 ZINC000872152336 684471341 /nfs/dbraw/zinc/47/13/41/684471341.db2.gz PLJPSTJVKNRDHT-MAUKXSAKSA-N 2 0 299.418 1.507 10 0 CDAERP CCCCOC(=O)CC[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923494724 684481253 /nfs/dbraw/zinc/48/12/53/684481253.db2.gz NSVRSYFHFRXGQX-QWHCGFSZSA-N 2 0 256.390 1.637 10 0 CDAERP C1C[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)[C@@H]2CSCCN2C1 ZINC000720492626 684486595 /nfs/dbraw/zinc/48/65/95/684486595.db2.gz CIGAQXIGYXEDKY-RDBSUJKOSA-N 2 0 269.458 1.298 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2COC(C)(C)O2)[C@H](C)C1 ZINC000851846830 684503169 /nfs/dbraw/zinc/50/31/69/684503169.db2.gz JBERVSONHAMWLE-RDBSUJKOSA-N 2 0 270.417 1.800 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000713381292 684548060 /nfs/dbraw/zinc/54/80/60/684548060.db2.gz KVJZTCYAUOWCIK-YXMPFFBPSA-N 2 0 265.401 1.103 10 0 CDAERP C[NH+](C)C1(C)CCC([NH2+]Cc2csnn2)CC1 ZINC000715507262 684553374 /nfs/dbraw/zinc/55/33/74/684553374.db2.gz GPUNTYMZNCRNRV-UHFFFAOYSA-N 2 0 254.403 1.891 10 0 CDAERP CC1(C)C[NH2+]C[C@@H]1C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000711375259 684566915 /nfs/dbraw/zinc/56/69/15/684566915.db2.gz DASDQZHWSDBENL-UONOGXRCSA-N 2 0 279.428 1.319 10 0 CDAERP CC(C)C[C@H](CCO)C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925527649 684587816 /nfs/dbraw/zinc/58/78/16/684587816.db2.gz PHNVUXHLSCYJQZ-MELADBBJSA-N 2 0 254.418 1.891 10 0 CDAERP CC(C)[NH+]1CCC([N@H+](C)C[C@@H]2C[C@H]3COC[C@H]3O2)CC1 ZINC000929471701 684591890 /nfs/dbraw/zinc/59/18/90/684591890.db2.gz YAUNACRNPONIGB-CWRNSKLLSA-N 2 0 282.428 1.595 10 0 CDAERP C[NH+](C)CC1(O)CC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC000710569910 684592916 /nfs/dbraw/zinc/59/29/16/684592916.db2.gz CZPHGXSJEALCAJ-CQSZACIVSA-N 2 0 270.417 1.192 10 0 CDAERP O=C(C[C@@H]1[NH2+]Cc2ccccc21)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870973116 684632521 /nfs/dbraw/zinc/63/25/21/684632521.db2.gz JWVXLYICWMFJKF-GUSZCTEKSA-N 2 0 299.418 1.868 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1CC1CC[NH+](C)CC1 ZINC000251798172 684716197 /nfs/dbraw/zinc/71/61/97/684716197.db2.gz NUKYRSXBXYYTJF-ZBFHGGJFSA-N 2 0 265.445 1.887 10 0 CDAERP COC/C(C)=C\CN1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000930627203 684768655 /nfs/dbraw/zinc/76/86/55/684768655.db2.gz PWTULFQVCQSTLW-WCSRMQSCSA-N 2 0 284.444 1.652 10 0 CDAERP CCCCOC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000311680641 684783285 /nfs/dbraw/zinc/78/32/85/684783285.db2.gz ISHVRRIYJFBJHI-ZNMIVQPWSA-N 2 0 270.417 1.225 10 0 CDAERP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(-n2cnnn2)cc1 ZINC000925788690 684805884 /nfs/dbraw/zinc/80/58/84/684805884.db2.gz AXPDUDMGUMHDEC-BZPMIXESSA-N 2 0 286.383 1.168 10 0 CDAERP [NH3+]CCCCCC(=O)N1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000846700532 684820415 /nfs/dbraw/zinc/82/04/15/684820415.db2.gz XMBPOZXMWHZYOS-RRFJBIMHSA-N 2 0 297.443 1.393 10 0 CDAERP CSC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000923364746 684834529 /nfs/dbraw/zinc/83/45/29/684834529.db2.gz QRVSTUJEWVFILM-JHJVBQTASA-N 2 0 258.431 1.174 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925508260 684839320 /nfs/dbraw/zinc/83/93/20/684839320.db2.gz PSDWALHZZNQRAZ-CBBWQLFWSA-N 2 0 265.445 1.966 10 0 CDAERP COC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)[C@@H]1CCCOC1 ZINC000925781060 684840281 /nfs/dbraw/zinc/84/02/81/684840281.db2.gz WHIOETVWGVQHFZ-XJFOESAGSA-N 2 0 268.401 1.288 10 0 CDAERP CC(C)(C)NC(=O)CC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925594740 684845533 /nfs/dbraw/zinc/84/55/33/684845533.db2.gz RAPJOUSCCHOIOV-NWDGAFQWSA-N 2 0 269.433 1.787 10 0 CDAERP CC(C)(C)[NH2+]CCNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870891647 684845651 /nfs/dbraw/zinc/84/56/51/684845651.db2.gz GHKYJRGVYSHLPM-UHFFFAOYSA-N 2 0 253.390 1.023 10 0 CDAERP CC[C@H](CO)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000930095306 684846652 /nfs/dbraw/zinc/84/66/52/684846652.db2.gz LTVFRYOXBODIAD-JZWPEALZSA-N 2 0 281.444 1.000 10 0 CDAERP C[N@H+](CCCC[NH2+]C[C@H](O)c1ccc(F)cn1)C1CC1 ZINC000819362685 684869856 /nfs/dbraw/zinc/86/98/56/684869856.db2.gz PXARYGLFZUDWPC-HNNXBMFYSA-N 2 0 281.375 1.718 10 0 CDAERP COc1ccc(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)cn1 ZINC000923447208 684871253 /nfs/dbraw/zinc/87/12/53/684871253.db2.gz QJXPQJLAHYDQMG-CQSZACIVSA-N 2 0 291.395 1.420 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC000921586508 684876889 /nfs/dbraw/zinc/87/68/89/684876889.db2.gz BTLFYFXZNYBLFG-JXQTWKCFSA-N 2 0 282.432 1.110 10 0 CDAERP CC1(C)[C@@H]([NH2+]CCOCC(F)(F)F)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925578427 684877181 /nfs/dbraw/zinc/87/71/81/684877181.db2.gz CXEBTUSHIYRERL-VWYCJHECSA-N 2 0 280.334 1.932 10 0 CDAERP C[C@@H]1C[N@H+](CCCc2cncn2C)CC[C@@H]1C[NH3+] ZINC000923488109 684893662 /nfs/dbraw/zinc/89/36/62/684893662.db2.gz DKHGEOQIEMBXLH-CHWSQXEVSA-N 2 0 250.390 1.269 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000852859040 684894973 /nfs/dbraw/zinc/89/49/73/684894973.db2.gz MUZOANMCESXRBQ-UONOGXRCSA-N 2 0 263.385 1.039 10 0 CDAERP CC[C@@H](CNC(=[NH2+])N1CCO[C@H](C)C1)[NH+]1CCCC1 ZINC000848986495 684899789 /nfs/dbraw/zinc/89/97/89/684899789.db2.gz YQTFQAPSXRQPFX-OLZOCXBDSA-N 2 0 268.405 1.106 10 0 CDAERP C[C@H](c1ccncc1)N1CCC([NH2+]C[C@@H](O)C2CC2)CC1 ZINC000819183990 684902475 /nfs/dbraw/zinc/90/24/75/684902475.db2.gz VJAGDGBACLRKNX-CXAGYDPISA-N 2 0 289.423 1.968 10 0 CDAERP CCNC(=O)C(C)(C)C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925607396 684908792 /nfs/dbraw/zinc/90/87/92/684908792.db2.gz PEVRNAFRMSBSKJ-GJZGRUSLSA-N 2 0 295.471 1.907 10 0 CDAERP CCCCCC[C@@](O)(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C(=O)OC ZINC000851732656 684922165 /nfs/dbraw/zinc/92/21/65/684922165.db2.gz WNEDCGUQSNBSFV-IJEWVQPXSA-N 2 0 298.427 1.012 10 0 CDAERP Cc1cccnc1NC(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000866660436 684963021 /nfs/dbraw/zinc/96/30/21/684963021.db2.gz IEDBWFOBYRPYHP-UHFFFAOYSA-N 2 0 288.395 1.404 10 0 CDAERP O[C@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)C1(O)CCCC1 ZINC000929276048 684991687 /nfs/dbraw/zinc/99/16/87/684991687.db2.gz OAZFQVYTPGCWHK-MRXNPFEDSA-N 2 0 296.455 1.460 10 0 CDAERP Cc1ccccc1OC[C@@H](O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923515547 685032653 /nfs/dbraw/zinc/03/26/53/685032653.db2.gz ZUQCYTLMQWATMF-KFWWJZLASA-N 2 0 278.396 1.261 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2cnn(C)n2)CC1 ZINC000924955316 685033092 /nfs/dbraw/zinc/03/30/92/685033092.db2.gz NNINVTHHOLUUMI-LBPRGKRZSA-N 2 0 265.405 1.588 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1nc2c(s1)CCC2 ZINC000719612024 685048913 /nfs/dbraw/zinc/04/89/13/685048913.db2.gz YDYHWDBXPUFCAC-JTQLQIEISA-N 2 0 269.414 1.475 10 0 CDAERP O[C@@H](C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)C1CC1 ZINC000838851967 685665756 /nfs/dbraw/zinc/66/57/56/685665756.db2.gz UVBCTMYGOAPSRW-CABCVRRESA-N 2 0 252.402 1.708 10 0 CDAERP CCON(CC)C(=O)CN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858223838 685736701 /nfs/dbraw/zinc/73/67/01/685736701.db2.gz ZIMFSYFDJROWJA-LBPRGKRZSA-N 2 0 271.405 1.249 10 0 CDAERP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000926566598 685777802 /nfs/dbraw/zinc/77/78/02/685777802.db2.gz JQISSKRLIPTYAC-DGCLKSJQSA-N 2 0 272.352 1.481 10 0 CDAERP C[NH+](C)C1CCN(C(=O)CCC23CC(C2)C[NH2+]3)CC1 ZINC000870852259 685817470 /nfs/dbraw/zinc/81/74/70/685817470.db2.gz AITFCLKLENWXMO-UHFFFAOYSA-N 2 0 265.401 1.071 10 0 CDAERP C1CC1[NH+]1CCC(N[C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925513237 685830155 /nfs/dbraw/zinc/83/01/55/685830155.db2.gz GGZHWOFPOFFDHI-OAHLLOKOSA-N 2 0 263.429 1.878 10 0 CDAERP C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)[C@H]1CCCOC1 ZINC000925845600 685858503 /nfs/dbraw/zinc/85/85/03/685858503.db2.gz MJTQQYOJBKZNCL-BYNSBNAKSA-N 2 0 252.402 1.923 10 0 CDAERP C[NH+]1CCN(CCC[NH2+]CC2(C)CCCC2)CC1 ZINC000394679352 685881600 /nfs/dbraw/zinc/88/16/00/685881600.db2.gz WUXHRRPWRHFETC-UHFFFAOYSA-N 2 0 253.434 1.794 10 0 CDAERP C[NH+](C)CCCNC(=S)N1CC[N@H+](C)C(C)(C)CC1 ZINC000865257900 685915613 /nfs/dbraw/zinc/91/56/13/685915613.db2.gz NCGMOABRLFMPNV-UHFFFAOYSA-N 2 0 286.489 1.229 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)N(C)C[C@H]2CCC[NH+](C)C2)CC[N@@H+]1C ZINC000925329591 685963406 /nfs/dbraw/zinc/96/34/06/685963406.db2.gz PTXHQNSEFKGHRR-RDBSUJKOSA-N 2 0 282.432 1.062 10 0 CDAERP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CC1CC[NH+](C)CC1 ZINC000094434176 685969239 /nfs/dbraw/zinc/96/92/39/685969239.db2.gz NUKYRSXBXYYTJF-GOEBONIOSA-N 2 0 265.445 1.887 10 0 CDAERP CCOCCOCCN1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000931545181 685976996 /nfs/dbraw/zinc/97/69/96/685976996.db2.gz BHDWCPIDZAHBJL-ZIAGYGMSSA-N 2 0 256.390 1.066 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC000870909267 685990168 /nfs/dbraw/zinc/99/01/68/685990168.db2.gz BWJDKNVRQGTSOZ-GZYXLSHKSA-N 2 0 281.444 1.741 10 0 CDAERP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CCC[NH2+]C1CC1 ZINC000094440482 685996261 /nfs/dbraw/zinc/99/62/61/685996261.db2.gz RWBLLLKOYISILY-DZGCQCFKSA-N 2 0 251.418 1.687 10 0 CDAERP C(CO[C@H]1CCOC1)[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925875849 686062274 /nfs/dbraw/zinc/06/22/74/686062274.db2.gz XGJHYLVZRDEZNZ-HRCADAONSA-N 2 0 282.428 1.550 10 0 CDAERP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2Cc1nc2c(s1)C[NH2+]CC2 ZINC000853246280 686216757 /nfs/dbraw/zinc/21/67/57/686216757.db2.gz VUDOVAWOZKKKPX-YOGCLGLASA-N 2 0 292.452 1.633 10 0 CDAERP O[C@@H](C[NH+]1CCCC1)C[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000830331430 686222904 /nfs/dbraw/zinc/22/29/04/686222904.db2.gz WBGAOPHBZOKNAY-INIZCTEOSA-N 2 0 296.455 1.460 10 0 CDAERP C1C[C@@H]2C[C@H]([NH2+][C@H]3CCCC[NH2+]C3)CC[C@@H]2CO1 ZINC000925709228 686227420 /nfs/dbraw/zinc/22/74/20/686227420.db2.gz VASLAVPFRSWTNA-TUVASFSCSA-N 2 0 252.402 1.923 10 0 CDAERP CC[C@H]1CC[C@@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925846188 686307240 /nfs/dbraw/zinc/30/72/40/686307240.db2.gz LMBHUNYIAJPRPY-GJZGRUSLSA-N 2 0 253.434 1.840 10 0 CDAERP C[C@H]1C[N@H+](Cc2ccc(-n3ccnc3)nc2)CC[C@@H]1C[NH3+] ZINC000923500785 686313280 /nfs/dbraw/zinc/31/32/80/686313280.db2.gz PDCHTWSYDCCTIM-DZGCQCFKSA-N 2 0 285.395 1.684 10 0 CDAERP C[N@@H+]1CCN(CCN[C@H]2CC[NH2+]C23CCCC3)CC1(C)C ZINC000925663267 686335925 /nfs/dbraw/zinc/33/59/25/686335925.db2.gz RAPNRFNSCIEYBA-HNNXBMFYSA-N 2 0 294.487 1.277 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCOC2=O)[C@H]2CCC[C@H]21 ZINC000872111252 686340252 /nfs/dbraw/zinc/34/02/52/686340252.db2.gz BOGPFYDEJDUXLO-APIJFGDWSA-N 2 0 280.412 1.792 10 0 CDAERP CC[C@@H]1C[C@H]1C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923447843 686386679 /nfs/dbraw/zinc/38/66/79/686386679.db2.gz XRGZJCZBYLYHMK-HZSPNIEDSA-N 2 0 252.402 1.862 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2cccc(F)c2)C12CCC2 ZINC000925484159 686388326 /nfs/dbraw/zinc/38/83/26/686388326.db2.gz CCJCZNZKHWVOKF-MGPQQGTHSA-N 2 0 264.344 1.719 10 0 CDAERP CCC[NH2+][C@H](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001690843067 1158783249 /nfs/dbraw/zinc/78/32/49/1158783249.db2.gz LPAKWSZJTHJLML-TZMCWYRMSA-N 2 0 267.417 1.223 10 0 CDAERP C[NH+](C)[C@]1(CN[C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCSC1 ZINC000925531920 686528606 /nfs/dbraw/zinc/52/86/06/686528606.db2.gz SMTRKFCIAKYNTM-CTASWTNQSA-N 2 0 297.512 1.790 10 0 CDAERP [NH3+]CCCCCC(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000843498470 686567782 /nfs/dbraw/zinc/56/77/82/686567782.db2.gz OZFHMIAOVLAZLJ-KGLIPLIRSA-N 2 0 267.417 1.496 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)CC[NH2+]CC1CC1 ZINC000717190130 686631983 /nfs/dbraw/zinc/63/19/83/686631983.db2.gz JHPWZDJRPJOVCV-CQSZACIVSA-N 2 0 269.433 1.469 10 0 CDAERP CC1(C)[C@H](NC[C@]23CCC[C@H]2[NH2+]CC3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925838347 686736172 /nfs/dbraw/zinc/73/61/72/686736172.db2.gz LMZRCPYXVSVGHS-OWVAZHOYSA-N 3 0 277.456 1.885 10 0 CDAERP CC1(C)[C@H]([NH3+])C[C@H]1c1nc(C2([NH3+])CCCC2)no1 ZINC000871787533 686775649 /nfs/dbraw/zinc/77/56/49/686775649.db2.gz ZXBCTYTVDSJKCF-DTWKUNHWSA-N 2 0 250.346 1.638 10 0 CDAERP CC1(C)CO[C@H](CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000717334390 686809478 /nfs/dbraw/zinc/80/94/78/686809478.db2.gz ZIYJGZPBPUVUFT-XDSHMYFISA-N 2 0 264.413 1.778 10 0 CDAERP CN(C)[C@H](CC[NH2+][C@H]1CCC[C@@H]1C[NH3+])C(F)(F)F ZINC000925838672 686816021 /nfs/dbraw/zinc/81/60/21/686816021.db2.gz ZZMGGBUKZCRNAI-OUAUKWLOSA-N 2 0 267.339 1.586 10 0 CDAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000848722385 686874640 /nfs/dbraw/zinc/87/46/40/686874640.db2.gz SRBKJHCAUNCRQD-VNHYZAJKSA-N 2 0 295.427 1.870 10 0 CDAERP CC1(C)[C@H](O)C[C@H]1[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925647041 686882954 /nfs/dbraw/zinc/88/29/54/686882954.db2.gz XEVLZEWNQIEBNR-NJMOYASZSA-N 2 0 252.402 1.512 10 0 CDAERP C[C@H]1C[C@@H]1NC(=[NH2+])NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000864452006 686992316 /nfs/dbraw/zinc/99/23/16/686992316.db2.gz KTPVXUFOAQAMDE-CRWXNKLISA-N 2 0 266.433 1.877 10 0 CDAERP C[C@H](C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)CN1CCOCC1 ZINC000925507638 687005024 /nfs/dbraw/zinc/00/50/24/687005024.db2.gz BOQWEFVSOWFBFU-LVQVYYBASA-N 2 0 295.471 1.321 10 0 CDAERP Cn1cc(C[NH2+]C2CCC(C)([NH+](C)C)CC2)nn1 ZINC000715517327 687021632 /nfs/dbraw/zinc/02/16/32/687021632.db2.gz DMTJBMDENGHGCA-UHFFFAOYSA-N 2 0 251.378 1.168 10 0 CDAERP CCCCCC[N@H+](C)CC(=O)N1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000846696592 687042518 /nfs/dbraw/zinc/04/25/18/687042518.db2.gz UEURZMMXOWPNCW-HUUCEWRRSA-N 2 0 299.459 1.321 10 0 CDAERP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870921250 687090364 /nfs/dbraw/zinc/09/03/64/687090364.db2.gz OVPHYISBRZILQX-UYHMYPTGSA-N 2 0 279.428 1.303 10 0 CDAERP C[C@@H]1CCC[N@H+](CCCCS(C)(=O)=O)[C@@H]1CCC[NH3+] ZINC000706537793 687095644 /nfs/dbraw/zinc/09/56/44/687095644.db2.gz PUEMOJVUWVLPRR-ZIAGYGMSSA-N 2 0 290.473 1.651 10 0 CDAERP CSC[C@H](O)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000923391322 687118494 /nfs/dbraw/zinc/11/84/94/687118494.db2.gz XSGDOKJZYUFCIA-UONOGXRCSA-N 2 0 272.458 1.422 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)CCC23CC(C2)C[NH2+]3)C1 ZINC000870988295 687149266 /nfs/dbraw/zinc/14/92/66/687149266.db2.gz MBAGHNDNWTUSMR-BLDCVEFLSA-N 2 0 293.455 1.742 10 0 CDAERP C[C@@H](C[NH2+]C1CCC(C)([NH+](C)C)CC1)S(C)(=O)=O ZINC000715237108 687149974 /nfs/dbraw/zinc/14/99/74/687149974.db2.gz UWRAYTKLLXEZTA-HIFPTAJRSA-N 2 0 276.446 1.272 10 0 CDAERP [NH3+]Cc1cccc(C(=O)N(C2CC2)[C@H]2CC[NH2+]C2)c1 ZINC000818563653 687150910 /nfs/dbraw/zinc/15/09/10/687150910.db2.gz QPHQOGVDSLHPJF-AWEZNQCLSA-N 2 0 259.353 1.112 10 0 CDAERP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925726864 687156177 /nfs/dbraw/zinc/15/61/77/687156177.db2.gz XKYIOPGGJPZVOX-MGPQQGTHSA-N 3 0 251.418 1.768 10 0 CDAERP CCOC(=O)C(F)(F)[C@H]1CC[C@@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)C1 ZINC000863488603 687190296 /nfs/dbraw/zinc/19/02/96/687190296.db2.gz YEHVQWJLXHYPLL-NNYUYHANSA-N 2 0 290.354 1.694 10 0 CDAERP C[C@H]1C[C@H](C)C[NH+](CCCNC2=[NH+]CCCCN2)C1 ZINC000849215328 687217370 /nfs/dbraw/zinc/21/73/70/687217370.db2.gz CPHPBOFFOHTIAD-KBPBESRZSA-N 2 0 266.433 1.683 10 0 CDAERP COC[C@H](C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1)C(C)C ZINC000929982408 687240332 /nfs/dbraw/zinc/24/03/32/687240332.db2.gz TYBMQFGISZCBLN-IRXDYDNUSA-N 2 0 297.487 1.617 10 0 CDAERP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])C1 ZINC000841076539 687326825 /nfs/dbraw/zinc/32/68/25/687326825.db2.gz IEOGQYNYKVTJHA-ZDCRXTMVSA-N 2 0 278.343 1.679 10 0 CDAERP CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925851000 687360138 /nfs/dbraw/zinc/36/01/38/687360138.db2.gz AZIIGGJMJJLZSO-RWMBFGLXSA-N 2 0 268.401 1.696 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[NH+](CC)[C@@H](C)C2)CC[N@@H+]1C ZINC000864084259 687373835 /nfs/dbraw/zinc/37/38/35/687373835.db2.gz PTWMXSINMYTOAQ-LJISPDSOSA-N 2 0 281.444 1.658 10 0 CDAERP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(Cl)nc1 ZINC000925815434 687384984 /nfs/dbraw/zinc/38/49/84/687384984.db2.gz QTEOUBWLGHRHGL-LLVKDONJSA-N 2 0 282.819 1.809 10 0 CDAERP Cc1c(CN2CC[C@H](C[NH+](C)C)C2)ccnc1F ZINC000862243463 687409794 /nfs/dbraw/zinc/40/97/94/687409794.db2.gz JSPMADBOEPDKHH-GFCCVEGCSA-N 2 0 251.349 1.913 10 0 CDAERP Clc1ccsc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000923461142 687416481 /nfs/dbraw/zinc/41/64/81/687416481.db2.gz ZKMWHRMFBIKGSM-UHFFFAOYSA-N 2 0 259.806 1.396 10 0 CDAERP C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)OC1CCSCC1 ZINC000929311380 687456584 /nfs/dbraw/zinc/45/65/84/687456584.db2.gz CKJJHBHXUYBTOF-RYUDHWBXSA-N 2 0 256.415 1.050 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1CCCN2CCSC[C@@H]12)[NH+](C)C ZINC000928102749 687559746 /nfs/dbraw/zinc/55/97/46/687559746.db2.gz VAGQAYNNPKQZSC-AVGNSLFASA-N 2 0 285.457 1.023 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCCCCCCC[NH+](C)C ZINC000841740054 687577638 /nfs/dbraw/zinc/57/76/38/687577638.db2.gz LFVGOOWMVRRJJE-CABCVRRESA-N 2 0 298.475 1.796 10 0 CDAERP CCCNC(=O)CC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925494211 687584335 /nfs/dbraw/zinc/58/43/35/687584335.db2.gz JBZZSOOOMZLIMD-HUUCEWRRSA-N 2 0 281.444 1.661 10 0 CDAERP Cn1cncc1CCC[N@H+](C)CCCCCC[NH3+] ZINC000710778933 687596249 /nfs/dbraw/zinc/59/62/49/687596249.db2.gz DIYWKMNACJGERC-UHFFFAOYSA-N 3 0 252.406 1.804 10 0 CDAERP C[C@@H](NC(=O)[C@@H](C)[N@@H+]1CC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000923480098 687605435 /nfs/dbraw/zinc/60/54/35/687605435.db2.gz VIYBBPQKRGMJEA-KFWWJZLASA-N 2 0 289.423 1.923 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000926705256 687611713 /nfs/dbraw/zinc/61/17/13/687611713.db2.gz RFKWIYRJNRGZHJ-HLYYOIJPSA-N 2 0 286.366 1.731 10 0 CDAERP CN(C[C@H]1CC[C@H](C(F)(F)F)O1)C1(C[NH3+])CCOCC1 ZINC000725064736 687626251 /nfs/dbraw/zinc/62/62/51/687626251.db2.gz VDJAEKSOYQVHIK-GHMZBOCLSA-N 2 0 296.333 1.536 10 0 CDAERP C[C@H](c1cccc(O)c1)[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923313713 687631165 /nfs/dbraw/zinc/63/11/65/687631165.db2.gz XFHAMLGXTMWKHY-DOMZBBRYSA-N 2 0 276.380 1.764 10 0 CDAERP C[C@@H](C[NH2+]C[C@H](O)c1ccc(F)cn1)C[NH+]1CCCC1 ZINC000818967054 687771239 /nfs/dbraw/zinc/77/12/39/687771239.db2.gz QXBHPSZQMSIFJH-WFASDCNBSA-N 2 0 281.375 1.576 10 0 CDAERP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccnn1C1CCC1 ZINC000925118212 687776141 /nfs/dbraw/zinc/77/61/41/687776141.db2.gz RTDUVFPDGKYREO-ZDUSSCGKSA-N 2 0 292.427 1.715 10 0 CDAERP Cc1cc([C@@H]([NH3+])CC(=O)N2CC[C@H]([NH3+])[C@@H]2C)cc(Cl)n1 ZINC000842511508 687819456 /nfs/dbraw/zinc/81/94/56/687819456.db2.gz XFQFSRFPQLWMLV-DLOVCJGASA-N 2 0 296.802 1.381 10 0 CDAERP C[C@H](NC(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1)c1cccs1 ZINC000923501853 687835107 /nfs/dbraw/zinc/83/51/07/687835107.db2.gz WGGQGSPCDPUAKS-FRRDWIJNSA-N 2 0 295.452 1.842 10 0 CDAERP O=C(NC1CC1)[C@@H]1CCC[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923307152 687854006 /nfs/dbraw/zinc/85/40/06/687854006.db2.gz XPGZEHZAZWVSRC-WDVRLDOZSA-N 2 0 291.439 1.650 10 0 CDAERP C[N@@H+]1CCC[C@H]1CN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925716684 687880490 /nfs/dbraw/zinc/88/04/90/687880490.db2.gz BQWMVZHTVXHEBC-XHSDSOJGSA-N 2 0 265.445 1.839 10 0 CDAERP [NH3+]CCCOC1CC[NH+](C[C@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000715392452 687887928 /nfs/dbraw/zinc/88/79/28/687887928.db2.gz ZBNFFULPRJHCPR-CVEARBPZSA-N 2 0 282.428 1.774 10 0 CDAERP CC(C)(C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)CS(C)(=O)=O ZINC000925834090 687892578 /nfs/dbraw/zinc/89/25/78/687892578.db2.gz WAXPYCXHNUIJDJ-NEPJUHHUSA-N 2 0 290.473 1.553 10 0 CDAERP CC1(C)C[C@@H]([NH2+]CCN2CCSCC2)C[C@@H]([NH3+])C1 ZINC000925481271 687894688 /nfs/dbraw/zinc/89/46/88/687894688.db2.gz IWDDOQCKHHUJQA-OLZOCXBDSA-N 2 0 271.474 1.531 10 0 CDAERP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000710879229 687901759 /nfs/dbraw/zinc/90/17/59/687901759.db2.gz CMJMYEUHXPNSDZ-ZQDZILKHSA-N 2 0 279.428 1.589 10 0 CDAERP CS(=O)(=O)CCCCC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925641969 687958189 /nfs/dbraw/zinc/95/81/89/687958189.db2.gz DTOXZGFPWQQVFA-NEPJUHHUSA-N 2 0 274.430 1.061 10 0 CDAERP C[N@@H+]1CCN(C(=O)C[C@@H]2CCC[NH2+]2)CCC1(C)C ZINC000712674491 688071841 /nfs/dbraw/zinc/07/18/41/688071841.db2.gz UCYIPAPFRPGRII-LBPRGKRZSA-N 2 0 253.390 1.071 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)CC2([NH3+])CCC2)C1 ZINC000870993787 688076163 /nfs/dbraw/zinc/07/61/63/688076163.db2.gz MLHQRQFAJSPVRT-AWEZNQCLSA-N 2 0 267.417 1.481 10 0 CDAERP C[C@H](C(=O)NCc1ccccc1)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923502265 688131105 /nfs/dbraw/zinc/13/11/05/688131105.db2.gz AXRHCUXKDGHWRD-FMKPAKJESA-N 2 0 289.423 1.608 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000846675814 688167757 /nfs/dbraw/zinc/16/77/57/688167757.db2.gz OTQUKZUDHVORHA-UHFFFAOYSA-N 2 0 287.407 1.404 10 0 CDAERP Cc1nccn1C[C@H](C)OC(=O)C1CC[NH+](C2CC2)CC1 ZINC000810612117 688195609 /nfs/dbraw/zinc/19/56/09/688195609.db2.gz ACQJVWAQWNOPAO-LBPRGKRZSA-N 2 0 291.395 1.998 10 0 CDAERP CC(C)(C(=O)NC[C@H]1C[C@@H]([NH2+]CCCF)C1)[NH+]1CCCC1 ZINC001691107929 1158911368 /nfs/dbraw/zinc/91/13/68/1158911368.db2.gz VPENRMQZILQZLZ-OKILXGFUSA-N 2 0 299.434 1.705 10 0 CDAERP c1cc(C2CC[NH+](C[C@@H]3CC4(C[NH2+]C4)CO3)CC2)ccn1 ZINC001772524742 1158606221 /nfs/dbraw/zinc/60/62/21/1158606221.db2.gz ZGKYHOUYKHZEIP-INIZCTEOSA-N 2 0 287.407 1.640 10 0 CDAERP CC[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001691184112 1158950010 /nfs/dbraw/zinc/95/00/10/1158950010.db2.gz AJVSMCSULLRRBK-XUXIUFHCSA-N 2 0 267.417 1.364 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001691478373 1159355468 /nfs/dbraw/zinc/35/54/68/1159355468.db2.gz BKUOJOYNSMOVBZ-KFWWJZLASA-N 2 0 281.444 1.613 10 0 CDAERP CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001268062921 1159767053 /nfs/dbraw/zinc/76/70/53/1159767053.db2.gz FQYRIFDGSWNOGR-OCCSQVGLSA-N 2 0 267.417 1.175 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N(C)CC[NH2+]CCC2CC2)CC1 ZINC001691538057 1160638305 /nfs/dbraw/zinc/63/83/05/1160638305.db2.gz AXNVRAWLPUQVFF-UHFFFAOYSA-N 2 0 295.471 1.955 10 0 CDAERP COC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001437570442 1161965322 /nfs/dbraw/zinc/96/53/22/1161965322.db2.gz OWMIPUYFPQWASN-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC000866710901 1164813617 /nfs/dbraw/zinc/81/36/17/1164813617.db2.gz XJMSQSQMCOSGJK-SOUVJXGZSA-N 2 0 293.411 1.434 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000354591287 1167338123 /nfs/dbraw/zinc/33/81/23/1167338123.db2.gz GBYFNLGXTQDWIS-JYJNAYRXSA-N 2 0 295.471 1.907 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N(C)CC[NH+](C)C2CC2)CC[N@@H+]1C ZINC000355797139 1167341015 /nfs/dbraw/zinc/34/10/15/1167341015.db2.gz PMPODZYDWQOKDY-STQMWFEESA-N 2 0 267.417 1.269 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCC[NH+]2CCCC(C)(C)C2)CC[N@@H+]1C ZINC000356141920 1167341873 /nfs/dbraw/zinc/34/18/73/1167341873.db2.gz DOQINRQVQIKEGV-GJZGRUSLSA-N 2 0 295.471 1.955 10 0 CDAERP c1cc(NCC2CC[NH+](C3CCOCC3)CC2)cc[nH+]1 ZINC001646630052 1167995932 /nfs/dbraw/zinc/99/59/32/1167995932.db2.gz RMUXRMNLCMLSPR-UHFFFAOYSA-N 2 0 275.396 1.806 10 0 CDAERP CCCCC[N@H+](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001567306932 1168671186 /nfs/dbraw/zinc/67/11/86/1168671186.db2.gz IJYWRGOGVILXKF-UHFFFAOYSA-N 2 0 283.460 1.957 10 0 CDAERP CC(C)=CC[NH+](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001567453363 1168773478 /nfs/dbraw/zinc/77/34/78/1168773478.db2.gz BNJIEONXSAVFFH-HNNXBMFYSA-N 2 0 293.455 1.875 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]CCCF)C1 ZINC001569824436 1170006758 /nfs/dbraw/zinc/00/67/58/1170006758.db2.gz QZUKZTHFOWFEHF-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP CC[NH2+][C@H](C)CN(C)C(=O)[C@@H](F)C[NH+](CC)CC ZINC001571389609 1170405886 /nfs/dbraw/zinc/40/58/86/1170405886.db2.gz PIXNEBHOSCIRDG-NEPJUHHUSA-N 2 0 261.385 1.123 10 0 CDAERP C[C@H](CN(C)C(=O)C1([NH+](C)C)CCC1)[NH2+]CCC[C@H](C)O ZINC001571391244 1170407201 /nfs/dbraw/zinc/40/72/01/1170407201.db2.gz XYGLMRAHAWMUIH-KGLIPLIRSA-N 2 0 299.459 1.068 10 0 CDAERP CC(C)[NH2+]CCOCCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001571678814 1170518063 /nfs/dbraw/zinc/51/80/63/1170518063.db2.gz CEVBZPGELUEDBZ-GASCZTMLSA-N 2 0 299.459 1.332 10 0 CDAERP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C)CC1(C)C ZINC001652492472 1171444782 /nfs/dbraw/zinc/44/47/82/1171444782.db2.gz YMQLKILGGWXGBH-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCOCC)C1 ZINC001661314996 1172368582 /nfs/dbraw/zinc/36/85/82/1172368582.db2.gz ZBWDFTGPOKNYLR-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC1CCC1 ZINC001662224597 1172511365 /nfs/dbraw/zinc/51/13/65/1172511365.db2.gz GPFMDSWIGIWGGE-OUCADQQQSA-N 2 0 267.417 1.221 10 0 CDAERP CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001662630709 1172572291 /nfs/dbraw/zinc/57/22/91/1172572291.db2.gz MPJBSLJFFQHQRQ-HIFRSBDPSA-N 2 0 279.428 1.176 10 0 CDAERP C[C@H]1C[C@H](C[NH2+]CCN(C)C(=O)CCC[NH+](C)C)CCO1 ZINC001664146791 1172817828 /nfs/dbraw/zinc/81/78/28/1172817828.db2.gz QZDGZBBISGUJIB-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001668112810 1173371158 /nfs/dbraw/zinc/37/11/58/1173371158.db2.gz MGYFARQZDFWUMZ-UONOGXRCSA-N 2 0 269.433 1.611 10 0 CDAERP CC[NH2+]C/C=C\CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001668883899 1173476456 /nfs/dbraw/zinc/47/64/56/1173476456.db2.gz VMYYNVMZYDCYFH-ARJAWSKDSA-N 2 0 265.401 1.144 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]C[C@@H](C)OC ZINC001669206608 1173516478 /nfs/dbraw/zinc/51/64/78/1173516478.db2.gz GIKFHUIRPZJTQM-YOVCOIKASA-N 2 0 297.443 1.158 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC/C=C\C[NH2+]CCF ZINC001669200335 1173516343 /nfs/dbraw/zinc/51/63/43/1173516343.db2.gz CUUJJODVYGVHRJ-LGRKWKCASA-N 2 0 271.380 1.091 10 0 CDAERP CCCCC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001690739125 1175560499 /nfs/dbraw/zinc/56/04/99/1175560499.db2.gz JUHJZGSWKVCOHK-JKSUJKDBSA-N 2 0 295.471 1.957 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCNC(=O)C[NH+](C)C1CCC1 ZINC001690947487 1175623534 /nfs/dbraw/zinc/62/35/34/1175623534.db2.gz OQYYDRYTDVGUCR-CYBMUJFWSA-N 2 0 269.433 1.565 10 0 CDAERP CCCC[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001698570882 1175850156 /nfs/dbraw/zinc/85/01/56/1175850156.db2.gz XTTVXLZLFSTMRX-CYBMUJFWSA-N 2 0 255.406 1.271 10 0 CDAERP CC[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CCCO ZINC001698620713 1175874608 /nfs/dbraw/zinc/87/46/08/1175874608.db2.gz HZZPNMAMZBNYHH-LSDHHAIUSA-N 2 0 299.459 1.118 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001698767505 1175924795 /nfs/dbraw/zinc/92/47/95/1175924795.db2.gz GXYWSPCKTRZVLW-GJZGRUSLSA-N 2 0 283.460 1.716 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001698844581 1175960616 /nfs/dbraw/zinc/96/06/16/1175960616.db2.gz DSQXMLSBIFKQGF-HUUCEWRRSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@H](CC[NH2+]C/C(Cl)=C/Cl)NC(=O)CC[NH+](C)C ZINC001699130311 1176106341 /nfs/dbraw/zinc/10/63/41/1176106341.db2.gz AZPLJVKULTXIIC-UBYNWHESSA-N 2 0 296.242 1.742 10 0 CDAERP CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001699633329 1176530464 /nfs/dbraw/zinc/53/04/64/1176530464.db2.gz JTPIUAMVHKPRIF-KGLIPLIRSA-N 2 0 269.433 1.707 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](CC[NH2+]CCC3CC3)C2)C1 ZINC001700088681 1176744934 /nfs/dbraw/zinc/74/49/34/1176744934.db2.gz QWADMIKKQZPPEC-HZPDHXFCSA-N 2 0 293.455 1.566 10 0 CDAERP CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001700440496 1176928955 /nfs/dbraw/zinc/92/89/55/1176928955.db2.gz UZYQPDINDHBNHZ-ZIAGYGMSSA-N 2 0 283.460 1.811 10 0 CDAERP CCCC[C@H](C[NH2+]CCC)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001700523096 1176995603 /nfs/dbraw/zinc/99/56/03/1176995603.db2.gz XTQGBUHGGYLMNR-UONOGXRCSA-N 2 0 269.433 1.613 10 0 CDAERP CC/C=C\CC[NH+]1CC([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001700542670 1177007927 /nfs/dbraw/zinc/00/79/27/1177007927.db2.gz IZPZFOHVZMTFGD-LMVHVUTASA-N 2 0 281.444 1.731 10 0 CDAERP CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC=C(C)C)[NH+](C)C ZINC001700770222 1177125280 /nfs/dbraw/zinc/12/52/80/1177125280.db2.gz KKPQAFHVYPDZOY-KBPBESRZSA-N 2 0 269.433 1.729 10 0 CDAERP COCC[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]1C ZINC001700886556 1177179652 /nfs/dbraw/zinc/17/96/52/1177179652.db2.gz DHFCDYIJWQCLOO-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP CC[C@H](F)C[N@H+](C)CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001707419509 1178031232 /nfs/dbraw/zinc/03/12/32/1178031232.db2.gz XFMKPGIXANPEJU-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP CC[N@H+](CCCNC(=O)C[NH+]1CC[C@@H](C)C1)CC(C)C ZINC001713024841 1178313608 /nfs/dbraw/zinc/31/36/08/1178313608.db2.gz JVPBFVIXAFXWQB-OAHLLOKOSA-N 2 0 283.460 1.812 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@H](C)C[NH+]1CCOCC1)C(C)C ZINC001713030016 1178314528 /nfs/dbraw/zinc/31/45/28/1178314528.db2.gz RHKBDPOZLTZHHY-OAHLLOKOSA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001713352915 1178515985 /nfs/dbraw/zinc/51/59/85/1178515985.db2.gz HZYUPYYTJOMVAR-KBPBESRZSA-N 2 0 269.433 1.422 10 0 CDAERP CCC[N@H+](CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001713688827 1178711769 /nfs/dbraw/zinc/71/17/69/1178711769.db2.gz IAZROPKCOHESOS-MRXNPFEDSA-N 2 0 295.471 1.955 10 0 CDAERP CCOCC[NH+]1CCC(N(C)C(=O)C[N@H+](C)C(C)C)CC1 ZINC001713785198 1178751794 /nfs/dbraw/zinc/75/17/94/1178751794.db2.gz MYQYMDFPDPQWBN-UHFFFAOYSA-N 2 0 299.459 1.286 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)[NH2+]CCC1CC1)[NH+](C)C ZINC001714247022 1179044091 /nfs/dbraw/zinc/04/40/91/1179044091.db2.gz OHMGXYZKGMGMQX-DGCLKSJQSA-N 2 0 255.406 1.221 10 0 CDAERP CC[N@@H+](CC=C(C)C)CCNC(=O)C[NH+](C)C(C)C ZINC001714600403 1179255689 /nfs/dbraw/zinc/25/56/89/1179255689.db2.gz TWKQTDTYWXHJDE-UHFFFAOYSA-N 2 0 269.433 1.731 10 0 CDAERP CCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001714720339 1179357882 /nfs/dbraw/zinc/35/78/82/1179357882.db2.gz USXMVRHLJBHVHH-CHWSQXEVSA-N 2 0 255.406 1.317 10 0 CDAERP CCOCC[NH2+]CCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001714725047 1179358862 /nfs/dbraw/zinc/35/88/62/1179358862.db2.gz RGLFUUSNMZJDCP-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)NCC1C[NH+](CC=C(C)C)C1 ZINC001714966841 1179482418 /nfs/dbraw/zinc/48/24/18/1179482418.db2.gz KAVZEDOOEANKJR-OAHLLOKOSA-N 2 0 299.434 1.681 10 0 CDAERP C[C@H]1CCCN(C(=O)CCC[NH+](C)C)[C@H]1C[NH2+]CCF ZINC001715476416 1179676772 /nfs/dbraw/zinc/67/67/72/1179676772.db2.gz PZBJAGJHNPKUPU-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP CCC[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)C(C)C ZINC001715505006 1179687473 /nfs/dbraw/zinc/68/74/73/1179687473.db2.gz JXIOSLAJYPTJEY-CYBMUJFWSA-N 2 0 255.406 1.223 10 0 CDAERP C[C@H](C[NH2+]CCC1CC1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001715929375 1179924225 /nfs/dbraw/zinc/92/42/25/1179924225.db2.gz HUUZFFMYCRPYBC-DOMZBBRYSA-N 2 0 279.428 1.223 10 0 CDAERP C[C@@H](C[NH2+]C/C=C\Cl)NC(=O)C12CCC[NH+]1CCC2 ZINC001715986588 1179964519 /nfs/dbraw/zinc/96/45/19/1179964519.db2.gz JXDRCDHHHQAEMA-KMSCOEIWSA-N 2 0 285.819 1.462 10 0 CDAERP O=C(NC/C=C\C[NH2+]CC1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001716294785 1180146516 /nfs/dbraw/zinc/14/65/16/1180146516.db2.gz BYMSTXLPWNBBAO-DJYNDVHFSA-N 2 0 277.412 1.000 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC(C)C ZINC001716545754 1180278934 /nfs/dbraw/zinc/27/89/34/1180278934.db2.gz YKWMTOVJUXBWOW-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]CC(C)C ZINC001716545755 1180279394 /nfs/dbraw/zinc/27/93/94/1180279394.db2.gz YKWMTOVJUXBWOW-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP COC[C@@H](C)[NH2+]CCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001716552288 1180281180 /nfs/dbraw/zinc/28/11/80/1180281180.db2.gz CKMZPAYDNAJDHE-CQSZACIVSA-N 2 0 297.443 1.088 10 0 CDAERP Cc1cncc(C[NH2+]CCCN(C)C(=O)CC[NH+](C)C)c1 ZINC001716564650 1180285796 /nfs/dbraw/zinc/28/57/96/1180285796.db2.gz DORPAILGPMZHEU-UHFFFAOYSA-N 2 0 292.427 1.280 10 0 CDAERP CN(CCC[NH2+]CC1CCCC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001716578932 1180292137 /nfs/dbraw/zinc/29/21/37/1180292137.db2.gz HBUWPULKLWCAQP-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCCOC)[C@@H](C)C1 ZINC001717335244 1180620951 /nfs/dbraw/zinc/62/09/51/1180620951.db2.gz GWQMNFMVWDECDT-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001717467220 1180688769 /nfs/dbraw/zinc/68/87/69/1180688769.db2.gz XZHIECDTESAJFJ-KGLIPLIRSA-N 2 0 269.433 1.563 10 0 CDAERP CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001717641038 1180769475 /nfs/dbraw/zinc/76/94/75/1180769475.db2.gz TVPNJHCTLHXKDF-BPUTZDHNSA-N 2 0 293.455 1.613 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCF)C1 ZINC001717640691 1180769820 /nfs/dbraw/zinc/76/98/20/1180769820.db2.gz HNWOLNQNWNXURV-IHRRRGAJSA-N 2 0 285.407 1.313 10 0 CDAERP CC[N@H+]1CC=C(CNC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001718028084 1180973706 /nfs/dbraw/zinc/97/37/06/1180973706.db2.gz GCSNCOCZUDRACL-ZDUSSCGKSA-N 2 0 265.401 1.096 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@@H]2CCCC[C@@H]2C[NH2+]CCF)CC1 ZINC001722946793 1181498638 /nfs/dbraw/zinc/49/86/38/1181498638.db2.gz XFVNUMNAFSOIQM-ZIAGYGMSSA-N 2 0 299.434 1.562 10 0 CDAERP CC[C@@H](C(=O)N(C)CCC[NH2+]Cc1cncs1)[NH+](C)C ZINC001723124803 1181519187 /nfs/dbraw/zinc/51/91/87/1181519187.db2.gz YSAQGHBUEARKJL-ZDUSSCGKSA-N 2 0 298.456 1.421 10 0 CDAERP CC[C@@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@H]1[NH2+]CCOC ZINC001723385287 1181546446 /nfs/dbraw/zinc/54/64/46/1181546446.db2.gz LVIDEUNHMBDAST-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP CCCCC[NH+]1CC(N(C)C(=O)CCC[NH+](C)C)C1 ZINC001723792100 1181604527 /nfs/dbraw/zinc/60/45/27/1181604527.db2.gz TXJXSPSPFGPZCX-UHFFFAOYSA-N 2 0 269.433 1.661 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]CCC2CC2)C1 ZINC001724597266 1181700088 /nfs/dbraw/zinc/70/00/88/1181700088.db2.gz AQKKOMKNUBOWQS-HOCLYGCPSA-N 2 0 295.471 1.812 10 0 CDAERP COCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001725508543 1182030267 /nfs/dbraw/zinc/03/02/67/1182030267.db2.gz FQCBGBHHWFDXRB-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001725517192 1182034108 /nfs/dbraw/zinc/03/41/08/1182034108.db2.gz GFIWSSCHDQKNMZ-UONOGXRCSA-N 2 0 267.417 1.341 10 0 CDAERP CC(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001725584609 1182062215 /nfs/dbraw/zinc/06/22/15/1182062215.db2.gz CPRCOZFNWZONAZ-STQMWFEESA-N 2 0 255.406 1.173 10 0 CDAERP CC[NH2+][C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001731396452 1182359491 /nfs/dbraw/zinc/35/94/91/1182359491.db2.gz LUBQYBQRSWMTDB-UONOGXRCSA-N 2 0 267.417 1.365 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@H](C[NH2+]CCF)C1 ZINC001731532393 1182437596 /nfs/dbraw/zinc/43/75/96/1182437596.db2.gz VXWDXIHAXAOUCT-CYBMUJFWSA-N 2 0 273.396 1.126 10 0 CDAERP CCCC[NH2+][C@H](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001731729803 1182537217 /nfs/dbraw/zinc/53/72/17/1182537217.db2.gz QQSRIRUVXVGFOC-CQSZACIVSA-N 2 0 281.444 1.899 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]CCCF ZINC001732457452 1182975294 /nfs/dbraw/zinc/97/52/94/1182975294.db2.gz HGFNTTCLDBXRDN-LBPRGKRZSA-N 2 0 261.385 1.123 10 0 CDAERP CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001732695188 1183090054 /nfs/dbraw/zinc/09/00/54/1183090054.db2.gz SCLHEHCQXLDFHF-FRRDWIJNSA-N 2 0 255.406 1.221 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CCF ZINC001732873258 1183166496 /nfs/dbraw/zinc/16/64/96/1183166496.db2.gz JWCCZJVYBKVFSI-RDFMZFSFSA-N 2 0 285.407 1.338 10 0 CDAERP C[C@@H](C[NH2+]CCF)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001732996724 1183229113 /nfs/dbraw/zinc/22/91/13/1183229113.db2.gz SZHCNHGTUJQGHE-KBPBESRZSA-N 2 0 299.434 1.705 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+]CCC(C)(C)C ZINC001733018100 1183240024 /nfs/dbraw/zinc/24/00/24/1183240024.db2.gz LHGXOPLSVVKBEW-ZDUSSCGKSA-N 2 0 271.449 1.859 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1C ZINC001733042523 1183260345 /nfs/dbraw/zinc/26/03/45/1183260345.db2.gz MBDWZWOCBQDFNK-HUUCEWRRSA-N 2 0 281.444 1.873 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001733342412 1183403798 /nfs/dbraw/zinc/40/37/98/1183403798.db2.gz XBBZZKADFMLUNG-LSDHHAIUSA-N 2 0 281.444 1.850 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H](C)C1C[NH+](CC=C(C)C)C1 ZINC001734126701 1183667959 /nfs/dbraw/zinc/66/79/59/1183667959.db2.gz OUIQUZVPBZHYCY-CQSZACIVSA-N 2 0 281.444 1.731 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001734323894 1183731153 /nfs/dbraw/zinc/73/11/53/1183731153.db2.gz SNIAPXQXUNVRCM-GDBMZVCRSA-N 2 0 293.455 1.731 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CCF)CN1C(=O)CCCC[NH+](C)C ZINC001734426262 1183774602 /nfs/dbraw/zinc/77/46/02/1183774602.db2.gz LFOZDPDNVCTTTH-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP CC[N@H+](C)CCN(C(=O)C[NH+]1CCCC1)C(C)C ZINC001734554240 1183823864 /nfs/dbraw/zinc/82/38/64/1183823864.db2.gz FBZJCWREKPCXSO-UHFFFAOYSA-N 2 0 255.406 1.271 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001628746553 1166093862 /nfs/dbraw/zinc/09/38/62/1166093862.db2.gz RSPCGCAETZLEMA-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1cccnc1 ZINC001566439941 1168274903 /nfs/dbraw/zinc/27/49/03/1168274903.db2.gz WLTSVFWDNMKGFH-OAHLLOKOSA-N 2 0 290.411 1.114 10 0 CDAERP CC(C)C[NH2+][C@H](CNC(=O)CC[NH+](C)C)C1CC1 ZINC001566721346 1168400681 /nfs/dbraw/zinc/40/06/81/1168400681.db2.gz ZLRSSIIFHDSSJR-CYBMUJFWSA-N 2 0 255.406 1.079 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CCC2CC2)C1 ZINC001566901474 1168461922 /nfs/dbraw/zinc/46/19/22/1168461922.db2.gz FOBDJMAGSULBGR-JKSUJKDBSA-N 2 0 293.455 1.709 10 0 CDAERP CCOCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001566929327 1168470913 /nfs/dbraw/zinc/47/09/13/1168470913.db2.gz YBUSQHKLVDULOQ-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP CC(C[NH+]1CCOCC[C@H]1C)C[N@@H+]1CCOCC[C@H]1C ZINC001647451010 1168710134 /nfs/dbraw/zinc/71/01/34/1168710134.db2.gz ZWZVRCPZLQMWPG-HZPDHXFCSA-N 2 0 284.444 1.844 10 0 CDAERP C[NH+]1CCC(C)(C[NH2+]CC2CCS(=O)(=O)CC2)CC1 ZINC000692956511 894136774 /nfs/dbraw/zinc/13/67/74/894136774.db2.gz ADNLTSIHFDCTHW-UHFFFAOYSA-N 2 0 288.457 1.133 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001266620520 895607865 /nfs/dbraw/zinc/60/78/65/895607865.db2.gz ZYVXQJOYUSFSJV-MGPQQGTHSA-N 2 0 267.417 1.365 10 0 CDAERP COCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001266674449 895783423 /nfs/dbraw/zinc/78/34/23/895783423.db2.gz YETPXZFCEFBCCO-ZNMIVQPWSA-N 2 0 297.443 1.134 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001266816340 896111987 /nfs/dbraw/zinc/11/19/87/896111987.db2.gz AOUQMCJAMLWSGM-CVEARBPZSA-N 2 0 295.471 1.957 10 0 CDAERP CC[C@H](C(=O)N(C)CC[NH2+]C[C@@H]1CC(C)(C)CO1)[NH+](C)C ZINC001266989184 896507663 /nfs/dbraw/zinc/50/76/63/896507663.db2.gz VEPIVYOTSVXEQQ-UONOGXRCSA-N 2 0 299.459 1.190 10 0 CDAERP Cc1cccc(C[N@H+](C)CCNC(=O)C[NH+]2CCCC2)c1 ZINC001480947108 898067753 /nfs/dbraw/zinc/06/77/53/898067753.db2.gz IOJBHBNIBLYYOG-UHFFFAOYSA-N 2 0 289.423 1.639 10 0 CDAERP CC(C)=CC[NH+]1CC[C@H](CCNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267514155 898198806 /nfs/dbraw/zinc/19/88/06/898198806.db2.gz SKAUCVOKXRGBTP-JKSUJKDBSA-N 2 0 293.455 1.875 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)CC1CCC1 ZINC001480975424 898415345 /nfs/dbraw/zinc/41/53/45/898415345.db2.gz SKUNDWOXBDLADS-INIZCTEOSA-N 2 0 293.455 1.566 10 0 CDAERP CC[C@@H](C)C[N@H+](CC)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001480975014 898416607 /nfs/dbraw/zinc/41/66/07/898416607.db2.gz DIOWLMFPGMLZPA-GDBMZVCRSA-N 2 0 295.471 1.812 10 0 CDAERP CC(C)CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001481069326 898726464 /nfs/dbraw/zinc/72/64/64/898726464.db2.gz HQQRHQBDKIGXQT-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP COCCC[NH2+][C@H](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001567630728 1168896681 /nfs/dbraw/zinc/89/66/81/1168896681.db2.gz XYJMMPSKCKCIHO-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCCCCF ZINC001267716479 899358515 /nfs/dbraw/zinc/35/85/15/899358515.db2.gz QRJHMFUIYACNEI-GJZGRUSLSA-N 2 0 299.434 1.753 10 0 CDAERP CC(C)C[N@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001420357013 899380408 /nfs/dbraw/zinc/38/04/08/899380408.db2.gz IIDWBITWUWRDGM-OAHLLOKOSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)OCCC[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001267772014 899672971 /nfs/dbraw/zinc/67/29/71/899672971.db2.gz RIOWFDPTWSUANY-OAHLLOKOSA-N 2 0 299.459 1.286 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCCF ZINC001267955498 900061346 /nfs/dbraw/zinc/06/13/46/900061346.db2.gz WVIMHIGFXLQNRB-CABCVRRESA-N 2 0 299.434 1.799 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001481485172 900885884 /nfs/dbraw/zinc/88/58/84/900885884.db2.gz GFCZGZZSGZNZBI-HOCLYGCPSA-N 2 0 293.455 1.519 10 0 CDAERP C[C@H](C[NH2+]CCC(F)(F)F)N(C)C(=O)CC[NH+](C)C ZINC001268082575 901143109 /nfs/dbraw/zinc/14/31/09/901143109.db2.gz DGWHUXSWTSZSCZ-SNVBAGLBSA-N 2 0 283.338 1.327 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C(C)C ZINC001481670038 901769860 /nfs/dbraw/zinc/76/98/60/901769860.db2.gz AMODRKBEDLGZIV-MELADBBJSA-N 2 0 285.407 1.360 10 0 CDAERP C[NH+](C)CCCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CC1 ZINC001481681648 901782006 /nfs/dbraw/zinc/78/20/06/901782006.db2.gz OEYPLYQENWZEJQ-HOTGVXAUSA-N 2 0 293.455 1.804 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC1=CCCCC1 ZINC001481875832 902251345 /nfs/dbraw/zinc/25/13/45/902251345.db2.gz QIHTYYLQPRJNCJ-JKSUJKDBSA-N 2 0 293.455 1.923 10 0 CDAERP CCCCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268580224 902662009 /nfs/dbraw/zinc/66/20/09/902662009.db2.gz WIIHNVMOOXXZSK-LZNQSLFOSA-N 2 0 281.444 1.923 10 0 CDAERP C[C@H](C[NH2+]C/C=C/Cl)NC(=O)C1(C[NH+](C)C)CC1 ZINC001268657890 902908665 /nfs/dbraw/zinc/90/86/65/902908665.db2.gz BERDMOMAAWYQQS-TZOMUSMUSA-N 2 0 273.808 1.175 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001268664422 902920604 /nfs/dbraw/zinc/92/06/04/902920604.db2.gz JBSSJYFAOHOPFM-CHWSQXEVSA-N 2 0 287.423 1.561 10 0 CDAERP CC/C=C\CC[NH2+]C[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001268704564 902989899 /nfs/dbraw/zinc/98/98/99/902989899.db2.gz IUVLQDBKJIZODF-JGUVHBTRSA-N 2 0 281.444 1.779 10 0 CDAERP CC1CC[NH+](CC(=O)N(C)CCC[NH2+]CCCF)CC1 ZINC001268893782 903216382 /nfs/dbraw/zinc/21/63/82/903216382.db2.gz HAVXAZLARABULK-UHFFFAOYSA-N 2 0 287.423 1.516 10 0 CDAERP CC(C)=CC[NH+]1CC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001268895870 903218903 /nfs/dbraw/zinc/21/89/03/903218903.db2.gz DKNLJIHIZQEZML-CQSZACIVSA-N 2 0 279.428 1.342 10 0 CDAERP CC(C)[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001269083102 903406611 /nfs/dbraw/zinc/40/66/11/903406611.db2.gz AOCHQTYNMGGNOU-UONOGXRCSA-N 2 0 267.417 1.364 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001269203578 903543292 /nfs/dbraw/zinc/54/32/92/903543292.db2.gz VYHRCBNZWOMYCB-OAHLLOKOSA-N 2 0 281.444 1.851 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]CCCF)CCCC1 ZINC001482238177 904044390 /nfs/dbraw/zinc/04/43/90/904044390.db2.gz IXIKRPMDKVVUTC-UHFFFAOYSA-N 2 0 287.423 1.705 10 0 CDAERP CCOCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001270010391 904267701 /nfs/dbraw/zinc/26/77/01/904267701.db2.gz DVBYASRCBZDAIX-RBSFLKMASA-N 2 0 297.443 1.134 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]CC1=CCCCC1 ZINC001270372082 904570937 /nfs/dbraw/zinc/57/09/37/904570937.db2.gz NTECCIRYJLBTBV-GOEBONIOSA-N 2 0 293.455 1.923 10 0 CDAERP CCC(CC)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001482364030 905202284 /nfs/dbraw/zinc/20/22/84/905202284.db2.gz AIMDTUSASGNZJV-HIFRSBDPSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@H](C[NH2+]CCF)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001271101234 905650736 /nfs/dbraw/zinc/65/07/36/905650736.db2.gz LODWGMISMVKMRX-GFCCVEGCSA-N 2 0 275.412 1.370 10 0 CDAERP CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CCC(C)C)[NH+](C)C ZINC001271169633 906101228 /nfs/dbraw/zinc/10/12/28/906101228.db2.gz FDEOCMMOAGPSQQ-UONOGXRCSA-N 2 0 271.449 1.809 10 0 CDAERP CC(C)C[C@H](C[NH2+]CCF)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001271284825 906225325 /nfs/dbraw/zinc/22/53/25/906225325.db2.gz AGBJSIXHRUTMPR-KGLIPLIRSA-N 2 0 287.423 1.561 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCC(C)(C)C ZINC001423166442 906391733 /nfs/dbraw/zinc/39/17/33/906391733.db2.gz MHUMBZZZDZLCQO-KBPBESRZSA-N 2 0 283.460 1.811 10 0 CDAERP CC[C@@H](C)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001423398347 907240518 /nfs/dbraw/zinc/24/05/18/907240518.db2.gz HIWRKRDPCHNPCA-ZIAGYGMSSA-N 2 0 283.460 1.811 10 0 CDAERP CN(CC[N@H+](C)CC1CCC1)C(=O)C12CC[NH+](CC1)C2 ZINC001482642546 908108582 /nfs/dbraw/zinc/10/85/82/908108582.db2.gz LJYLKOJFDLPTPK-UHFFFAOYSA-N 2 0 279.428 1.273 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CCC1CC1 ZINC001483012725 908691787 /nfs/dbraw/zinc/69/17/87/908691787.db2.gz UZLYBZZMXZSKHU-QGZUEGPWSA-N 2 0 293.455 1.921 10 0 CDAERP CC[C@@H](F)C[NH2+]C/C=C/CNC(=O)C1([NH+](C)C)CCC1 ZINC001483017779 908695576 /nfs/dbraw/zinc/69/55/76/908695576.db2.gz MKJVSAGEQUEKOZ-URWSZGRFSA-N 2 0 285.407 1.481 10 0 CDAERP CC1(C)CC[NH2+]CCN1C[C@@H](O)CC(F)(F)F ZINC000712553643 909582333 /nfs/dbraw/zinc/58/23/33/909582333.db2.gz DDANTHGOECVUJZ-VIFPVBQESA-N 2 0 254.296 1.374 10 0 CDAERP COC(OC)[C@H](C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000922312076 921509837 /nfs/dbraw/zinc/50/98/37/921509837.db2.gz RFQQAMOQQODRKJ-ZDUSSCGKSA-N 2 0 296.411 1.724 10 0 CDAERP CCC[N@H+](C)CCCN(C)C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001484766306 916162993 /nfs/dbraw/zinc/16/29/93/916162993.db2.gz MWYADJAVZOXIMS-INIZCTEOSA-N 2 0 281.444 1.663 10 0 CDAERP CCC[NH2+]CC1CC(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001485107298 916533568 /nfs/dbraw/zinc/53/35/68/916533568.db2.gz MQHNUMGRNBRYIM-BPCQOVAHSA-N 2 0 255.406 1.221 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)N(C)CCF)C1 ZINC001485341682 916853470 /nfs/dbraw/zinc/85/34/70/916853470.db2.gz KQIINARXHVBMBL-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H](C)C1C[NH+](C(C)C)C1 ZINC001485506625 917046522 /nfs/dbraw/zinc/04/65/22/917046522.db2.gz OTEOLWHIJXIDIO-TZMCWYRMSA-N 2 0 287.423 1.511 10 0 CDAERP CCC(CC)C[NH+]1CC([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001485522785 917060861 /nfs/dbraw/zinc/06/08/61/917060861.db2.gz OLXIFFZWQUNQJU-ZDUSSCGKSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)C[NH2+]C[C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001485686008 917185178 /nfs/dbraw/zinc/18/51/78/917185178.db2.gz DYNFGZIGSPVXQS-HDJSIYSDSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)C[NH2+]C[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001485694776 917197020 /nfs/dbraw/zinc/19/70/20/917197020.db2.gz SWVVBXGFWQPTIA-HDJSIYSDSA-N 2 0 281.444 1.469 10 0 CDAERP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCO[C@H](C(F)(F)F)CC2)C1 ZINC000687576044 918108288 /nfs/dbraw/zinc/10/82/88/918108288.db2.gz GUHWMNGHXSMOOA-AEJSXWLSSA-N 2 0 252.280 1.377 10 0 CDAERP C[C@@H]([NH2+]CCCN1CCOC1=O)C1CC[NH+](C)CC1 ZINC000690498700 919804005 /nfs/dbraw/zinc/80/40/05/919804005.db2.gz VHSSPXBOYYJFPA-GFCCVEGCSA-N 2 0 269.389 1.149 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC[C@H](C)F)C1)[NH+](C)C ZINC001490901996 936679753 /nfs/dbraw/zinc/67/97/53/936679753.db2.gz JIEQNVQTMVWJPR-XUXIUFHCSA-N 2 0 287.423 1.558 10 0 CDAERP CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001486160262 920760855 /nfs/dbraw/zinc/76/08/55/920760855.db2.gz HHFUSNBGRXMIIK-QLFBSQMISA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)CC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001486241471 920834874 /nfs/dbraw/zinc/83/48/74/920834874.db2.gz XGUXIUMYYGLVJT-CQSZACIVSA-N 2 0 283.460 1.811 10 0 CDAERP CC[C@H](F)C[NH2+]C1CC(N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001486480508 921056486 /nfs/dbraw/zinc/05/64/86/921056486.db2.gz UQBOELSAXMXNJX-HSBZDZAISA-N 2 0 287.423 1.655 10 0 CDAERP CN(CCC[NH2+]Cc1ccccn1)C(=O)C[NH+]1CCCC1 ZINC001276386962 936719229 /nfs/dbraw/zinc/71/92/29/936719229.db2.gz UMVPZCSRRAOSTB-UHFFFAOYSA-N 2 0 290.411 1.116 10 0 CDAERP CCCCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001568319709 1169243829 /nfs/dbraw/zinc/24/38/29/1169243829.db2.gz SFFLCJBQJLWZBR-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]CCO)[NH+](CC)CC ZINC001491265161 936886417 /nfs/dbraw/zinc/88/64/17/936886417.db2.gz XDTLYDMVUPOCSA-HUUCEWRRSA-N 2 0 299.459 1.070 10 0 CDAERP CC(C)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001491506625 936926881 /nfs/dbraw/zinc/92/68/81/936926881.db2.gz TWRVOGPVOWVQBB-OLZOCXBDSA-N 2 0 255.406 1.221 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001442109058 936973090 /nfs/dbraw/zinc/97/30/90/936973090.db2.gz QMQZGBYMJONMNM-CABCVRRESA-N 2 0 299.434 1.657 10 0 CDAERP CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@H]2C1 ZINC001410187899 925366859 /nfs/dbraw/zinc/36/68/59/925366859.db2.gz OTIDYBGQMNVHLR-HRCADAONSA-N 2 0 295.471 1.953 10 0 CDAERP C[N@@H+]1C[C@]23C[NH+](CCCCCO)C[C@@]2(C1)CCCC3 ZINC001198819402 925543810 /nfs/dbraw/zinc/54/38/10/925543810.db2.gz FLAWKNPQIPUYMJ-IYBDPMFKSA-N 2 0 266.429 1.957 10 0 CDAERP CCN(CC[NH2+]C[C@H]1CCCCO1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001273297935 925759275 /nfs/dbraw/zinc/75/92/75/925759275.db2.gz DTRDKYKGTWHNAA-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CC1(C)[C@@H]([NH2+]C[C@@H]2CCCOC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925485805 926485508 /nfs/dbraw/zinc/48/55/08/926485508.db2.gz OURQHNOWMJDJIB-CRWXNKLISA-N 2 0 252.402 1.779 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001488790636 926717234 /nfs/dbraw/zinc/71/72/34/926717234.db2.gz XUXNMPGZTVYLGS-TUVASFSCSA-N 2 0 299.434 1.561 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC)CC(C)(C)C1 ZINC001489349942 926877935 /nfs/dbraw/zinc/87/79/35/926877935.db2.gz NEJAUOATJFMFNQ-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)NCCC[NH+]1CCCCC1 ZINC000852855107 927894923 /nfs/dbraw/zinc/89/49/23/927894923.db2.gz DWGHZELVNNWJNB-UHFFFAOYSA-N 2 0 265.401 1.288 10 0 CDAERP COCCOCCC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693736433 937251655 /nfs/dbraw/zinc/25/16/55/937251655.db2.gz RJNXPPUJOLIAIK-HZSPNIEDSA-N 2 0 270.417 1.406 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2cn(C)nn2)[C@H](C)C1 ZINC000859196117 928983421 /nfs/dbraw/zinc/98/34/21/928983421.db2.gz LJZMSOOLNIZHBA-TZMCWYRMSA-N 2 0 265.405 1.020 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001275004089 931631453 /nfs/dbraw/zinc/63/14/53/931631453.db2.gz KZNLYLZJVJTJHB-QLFBSQMISA-N 2 0 281.444 1.707 10 0 CDAERP COCCCC[NH2+]C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001275218722 931702160 /nfs/dbraw/zinc/70/21/60/931702160.db2.gz AVTAOULYENXGJU-AWEZNQCLSA-N 2 0 297.443 1.136 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH2+]CCF)CC[N@@H+]1C ZINC001322516899 931704504 /nfs/dbraw/zinc/70/45/04/931704504.db2.gz KYCAJLIZBAYGLP-QWHCGFSZSA-N 2 0 273.396 1.124 10 0 CDAERP CCC[N@H+](C)CC(=O)NC1CC(C[NH2+]CC2CC2)C1 ZINC001275311118 931731588 /nfs/dbraw/zinc/73/15/88/931731588.db2.gz ZMJHVMVJIHEDHY-UHFFFAOYSA-N 2 0 267.417 1.223 10 0 CDAERP CCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1C ZINC001275592993 931899730 /nfs/dbraw/zinc/89/97/30/931899730.db2.gz WMBJTYYJEFVWJM-CHWSQXEVSA-N 2 0 255.406 1.317 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)N(C)CC[NH+]2CCCC2)C1 ZINC001411747589 931993809 /nfs/dbraw/zinc/99/38/09/931993809.db2.gz GICLUEWWTIACGB-OAHLLOKOSA-N 2 0 281.444 1.661 10 0 CDAERP COC(CC[NH+]1CCC(CC[NH+](C)C)CC1)OC ZINC000686612607 934178809 /nfs/dbraw/zinc/17/88/09/934178809.db2.gz ULSLVMGZIUAJOJ-UHFFFAOYSA-N 2 0 258.406 1.659 10 0 CDAERP C[N@@H+]1C[C@]23C[NH+](CCn4ccnc4)C[C@@]2(C1)CCCC3 ZINC001413093616 935900910 /nfs/dbraw/zinc/90/09/10/935900910.db2.gz JSJAWTFFPXJOBU-IYBDPMFKSA-N 2 0 274.412 1.691 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)CC[NH2+]CC=C(C)C)[NH+](C)C ZINC001568646736 1169413439 /nfs/dbraw/zinc/41/34/39/1169413439.db2.gz SFSHDJSZHYIMPL-UONOGXRCSA-N 2 0 269.433 1.777 10 0 CDAERP CC/C=C\CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001276414188 939696098 /nfs/dbraw/zinc/69/60/98/939696098.db2.gz MAQYYTYPAMCYJJ-KRHNWMDASA-N 2 0 293.455 1.873 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[NH+](C(C)C)CC1(C)C ZINC001276624854 940451160 /nfs/dbraw/zinc/45/11/60/940451160.db2.gz NJYGJDDVYDMIJP-ZDUSSCGKSA-N 2 0 269.433 1.562 10 0 CDAERP CCOC(=O)N1CCC([NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000405344324 940984144 /nfs/dbraw/zinc/98/41/44/940984144.db2.gz KCHNHHNFDXWOFA-CHWSQXEVSA-N 2 0 281.400 1.467 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC001362064493 970838046 /nfs/dbraw/zinc/83/80/46/970838046.db2.gz QMZCAOWBKNAQEV-HOCLYGCPSA-N 2 0 295.471 1.765 10 0 CDAERP CC(C)[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001277193164 942157440 /nfs/dbraw/zinc/15/74/40/942157440.db2.gz BFFURDHQZBMOSF-MGPQQGTHSA-N 2 0 269.433 1.610 10 0 CDAERP O=C(CC[N@H+]1CC[C@H](F)C1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC001362092182 970875376 /nfs/dbraw/zinc/87/53/76/970875376.db2.gz QBOIROAHSOLBOP-GJZGRUSLSA-N 2 0 297.418 1.507 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001277260219 942254586 /nfs/dbraw/zinc/25/45/86/942254586.db2.gz YGTKLKTWNGBYPT-UHFFFAOYSA-N 2 0 281.444 1.901 10 0 CDAERP CC[N@H+](C)CCC(=O)NCC1([NH2+]CC=C(C)C)CCC1 ZINC001280526647 942457475 /nfs/dbraw/zinc/45/74/75/942457475.db2.gz SEPMNTCQEIVBRQ-UHFFFAOYSA-N 2 0 281.444 1.923 10 0 CDAERP CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001282960145 942790503 /nfs/dbraw/zinc/79/05/03/942790503.db2.gz YNZHOTZWVBNXDM-MELADBBJSA-N 2 0 267.417 1.175 10 0 CDAERP COCCC[N@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001283297256 942872744 /nfs/dbraw/zinc/87/27/44/942872744.db2.gz WHDZTXHBQFBOQG-OAHLLOKOSA-N 2 0 297.443 1.040 10 0 CDAERP COCCC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001283297255 942873463 /nfs/dbraw/zinc/87/34/63/942873463.db2.gz WHDZTXHBQFBOQG-HNNXBMFYSA-N 2 0 297.443 1.040 10 0 CDAERP CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCCC[NH+](C)C)C[C@H]21 ZINC001284101686 943077671 /nfs/dbraw/zinc/07/76/71/943077671.db2.gz KPPCHTZQJFLFBG-ARFHVFGLSA-N 2 0 295.471 1.955 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]([NH2+]CCCF)C(C)(C)C1 ZINC001284313256 943145174 /nfs/dbraw/zinc/14/51/74/943145174.db2.gz OBUUSQHIDLRDCB-KBPBESRZSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@@H](C[NH2+]CCF)C(C)(C)C)[NH+](C)C ZINC001284596743 943220287 /nfs/dbraw/zinc/22/02/87/943220287.db2.gz BOESWIPRHSQNSX-STQMWFEESA-N 2 0 289.439 1.663 10 0 CDAERP C[C@H]1CC[C@@H](NC(=O)N2CCCC3(CC[NH2+]CC3)C2)C[NH2+]1 ZINC001649926295 1169502729 /nfs/dbraw/zinc/50/27/29/1169502729.db2.gz NMHJECFOIRSAKB-UONOGXRCSA-N 2 0 294.443 1.302 10 0 CDAERP CC(C)[NH2+][C@H]1C[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001264438442 944131934 /nfs/dbraw/zinc/13/19/34/944131934.db2.gz XBFAAAKWZKIVSD-HDJSIYSDSA-N 2 0 269.433 1.611 10 0 CDAERP C[N@H+](CCF)CCCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001264996856 944193922 /nfs/dbraw/zinc/19/39/22/944193922.db2.gz RLKOCXBJNWHYQA-ZDUSSCGKSA-N 2 0 273.396 1.268 10 0 CDAERP C[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)CC1CCC1 ZINC001265007221 944199394 /nfs/dbraw/zinc/19/93/94/944199394.db2.gz IMVYZASIFXWRGZ-UHFFFAOYSA-N 2 0 293.455 1.853 10 0 CDAERP CC[N@H+](CCNC(=O)CC[NH+]1CC[C@@H](F)C1)C(C)C ZINC001362246665 971066964 /nfs/dbraw/zinc/06/69/64/971066964.db2.gz PYPVCPVCKPIMHI-CYBMUJFWSA-N 2 0 273.396 1.267 10 0 CDAERP CCCC[NH2+][C@H](CNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001265362342 944358465 /nfs/dbraw/zinc/35/84/65/944358465.db2.gz JWAZGPGHUALNLP-OAHLLOKOSA-N 2 0 293.455 1.899 10 0 CDAERP CCCC[NH2+]C[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001265636263 944452839 /nfs/dbraw/zinc/45/28/39/944452839.db2.gz GOVCSTZNKAANDR-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP COCCC[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001265657987 944460173 /nfs/dbraw/zinc/46/01/73/944460173.db2.gz OKIVVYMXARJHHV-HNNXBMFYSA-N 2 0 299.459 1.334 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH2+]CC1CCCC1 ZINC001265852936 944540211 /nfs/dbraw/zinc/54/02/11/944540211.db2.gz KHUXQNLSRDFWCK-ZDUSSCGKSA-N 2 0 269.433 1.613 10 0 CDAERP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001362271908 971099634 /nfs/dbraw/zinc/09/96/34/971099634.db2.gz QYCLYRMNEMXNJO-KKUMJFAQSA-N 2 0 299.459 1.190 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@H](C[NH2+]CCF)C1 ZINC001265986442 944616118 /nfs/dbraw/zinc/61/61/18/944616118.db2.gz GBRBRUAQTBABCV-KGLIPLIRSA-N 2 0 285.407 1.268 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC1CCCC1 ZINC001568873831 1169529077 /nfs/dbraw/zinc/52/90/77/1169529077.db2.gz UTEYFEJKWJUJAU-OGZRUICASA-N 2 0 293.455 1.923 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)CC[N@@H+]2CC[C@@H](F)C2)C1 ZINC001362341597 971171501 /nfs/dbraw/zinc/17/15/01/971171501.db2.gz XMNKVPBGTVODOL-MGPQQGTHSA-N 2 0 285.407 1.409 10 0 CDAERP CC1(C)C[C@@H]([NH2+][C@H]2CCCC[C@H]2C[NH3+])C[C@@H]([NH3+])C1 ZINC001262202184 946517953 /nfs/dbraw/zinc/51/79/53/946517953.db2.gz PBZHAZFIQWPASM-CRWXNKLISA-N 3 0 253.434 2.000 10 0 CDAERP CC1(C)CCC[N@H+](CCNC(=O)CC[NH+]2CC[C@@H](F)C2)C1 ZINC001362412239 971243307 /nfs/dbraw/zinc/24/33/07/971243307.db2.gz POGRVFSDEWWFLE-CQSZACIVSA-N 2 0 299.434 1.659 10 0 CDAERP CN(C[C@H]1CC[N@@H+]1CC1=CCCCC1)C(=O)CC[NH+](C)C ZINC001479242122 971270203 /nfs/dbraw/zinc/27/02/03/971270203.db2.gz HVNLRPVSDJIHRA-MRXNPFEDSA-N 2 0 293.455 1.971 10 0 CDAERP CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001479739627 971389072 /nfs/dbraw/zinc/38/90/72/971389072.db2.gz FTGVYYOWAPZMGL-AWEZNQCLSA-N 2 0 269.433 1.659 10 0 CDAERP CCCC[N@H+](C)CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001479803987 971428663 /nfs/dbraw/zinc/42/86/63/971428663.db2.gz MOIIYFALPKCVAJ-UHFFFAOYSA-N 2 0 283.460 1.957 10 0 CDAERP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCF)C2 ZINC001278958571 948399202 /nfs/dbraw/zinc/39/92/02/948399202.db2.gz HSIITVVVHXVGLD-KKUMJFAQSA-N 2 0 299.434 1.657 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC001362648319 971491828 /nfs/dbraw/zinc/49/18/28/971491828.db2.gz WFRHIKBYBNFPHY-RBSFLKMASA-N 2 0 281.444 1.659 10 0 CDAERP CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001278499659 948945355 /nfs/dbraw/zinc/94/53/55/948945355.db2.gz VTJCZHLHUKQKRE-UXLLHSPISA-N 2 0 295.471 1.955 10 0 CDAERP C[N@@H+]1CCC[C@@H](CCNC(=O)CC[NH+]2CC[C@@H](F)C2)C1 ZINC001362709452 971549189 /nfs/dbraw/zinc/54/91/89/971549189.db2.gz ZDXHVNAITDEBHV-UONOGXRCSA-N 2 0 285.407 1.268 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]([NH2+]CCC(F)(F)F)C1 ZINC001480171070 971612544 /nfs/dbraw/zinc/61/25/44/971612544.db2.gz KQGUKZADHODPLY-XYPYZODXSA-N 2 0 293.333 1.271 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC[C@H](C)F)C1 ZINC001480173332 971613037 /nfs/dbraw/zinc/61/30/37/971613037.db2.gz FWQUPSIRIDRJJO-ZQDZILKHSA-N 2 0 299.434 1.846 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)CC[NH+]1CC[C@@H](F)C1 ZINC001362784190 971617807 /nfs/dbraw/zinc/61/78/07/971617807.db2.gz ZXSGLDUQHINGJS-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001480236986 971641365 /nfs/dbraw/zinc/64/13/65/971641365.db2.gz IXZVDRWJXHGPBM-MELADBBJSA-N 2 0 267.417 1.365 10 0 CDAERP CCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001480356281 971685649 /nfs/dbraw/zinc/68/56/49/971685649.db2.gz CSEQSCHOZVNNLH-HUUCEWRRSA-N 2 0 281.444 1.851 10 0 CDAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1ccsc1 ZINC001480535976 971774339 /nfs/dbraw/zinc/77/43/39/971774339.db2.gz BIEHNPCWKVIVPT-STQMWFEESA-N 2 0 295.452 1.684 10 0 CDAERP C[N@@H+]1CCN(C(=O)CC[NH+]2CC[C@@H](F)C2)C[C@@H]1C(C)(C)C ZINC001362981699 971783887 /nfs/dbraw/zinc/78/38/87/971783887.db2.gz XCZDWYGOPJXAAL-ZIAGYGMSSA-N 2 0 299.434 1.609 10 0 CDAERP Cc1cc(C[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C(C)C)cs1 ZINC001480597473 971800437 /nfs/dbraw/zinc/80/04/37/971800437.db2.gz PWASMGFOLTVXAS-LBPRGKRZSA-N 2 0 297.468 1.991 10 0 CDAERP C[C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CCF ZINC001480770811 971873211 /nfs/dbraw/zinc/87/32/11/971873211.db2.gz ZLWQQDMERCEKGX-HIFRSBDPSA-N 2 0 299.434 1.847 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H](C)CC[NH+](C)C ZINC001363675565 953636364 /nfs/dbraw/zinc/63/63/64/953636364.db2.gz FMDAYTOJEWFCNH-KGLIPLIRSA-N 2 0 271.449 1.667 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC001363194278 971962197 /nfs/dbraw/zinc/96/21/97/971962197.db2.gz BEHZJPYQQVBYHB-BFYDXBDKSA-N 2 0 295.471 1.248 10 0 CDAERP Cc1ccc(C[NH+]2CCC(O)(C[NH+](C)C)CC2)c(C)n1 ZINC001363809516 953837112 /nfs/dbraw/zinc/83/71/12/953837112.db2.gz ZYXPDZJTWOSVQO-UHFFFAOYSA-N 2 0 277.412 1.587 10 0 CDAERP CC1CC[NH+](CCCNC(=O)CC[N@@H+]2CC[C@H](F)C2)CC1 ZINC001290255896 954036919 /nfs/dbraw/zinc/03/69/19/954036919.db2.gz JWOAMZFRAHWMGA-HNNXBMFYSA-N 2 0 299.434 1.659 10 0 CDAERP C[N@@H+]1C[C@@H]2CN(C(=O)NC[C@H]3CCCC[NH+]3C)C[C@]2(C)C1 ZINC001364349925 954489943 /nfs/dbraw/zinc/48/99/43/954489943.db2.gz JPDMWMOUHVDFIO-FMKPAKJESA-N 2 0 294.443 1.064 10 0 CDAERP CC(C)[C@@H](C(=O)N1CC[C@@H](C[NH2+]CCC2CC2)C1)[NH+](C)C ZINC001480647917 955036262 /nfs/dbraw/zinc/03/62/62/955036262.db2.gz GAPNIIDPFPCXQK-HOTGVXAUSA-N 2 0 295.471 1.811 10 0 CDAERP CCCC[NH2+]CCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001493592526 972086149 /nfs/dbraw/zinc/08/61/49/972086149.db2.gz UNVFFJCJKUJELX-CABCVRRESA-N 2 0 281.444 1.851 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1ccsc1 ZINC001491651750 955347598 /nfs/dbraw/zinc/34/75/98/955347598.db2.gz YSDFABJNJNPKMX-GFCCVEGCSA-N 2 0 283.441 1.684 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCF ZINC001421633899 955444341 /nfs/dbraw/zinc/44/43/41/955444341.db2.gz KDTSLTBJXYTDES-HUUCEWRRSA-N 2 0 299.434 1.753 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H](C[NH2+]CC2CC2)C1 ZINC001491808428 955475171 /nfs/dbraw/zinc/47/51/71/955475171.db2.gz KIBMTRMQIMMIQA-HUUCEWRRSA-N 2 0 299.434 1.514 10 0 CDAERP CC1CC[NH+](CC(=O)N(C)CC[NH2+]C/C=C/Cl)CC1 ZINC001493742616 972108934 /nfs/dbraw/zinc/10/89/34/972108934.db2.gz RSJGUCMVXDGZEW-ZZXKWVIFSA-N 2 0 287.835 1.519 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@@H](C)CC[NH+](C)C ZINC001363374706 972111213 /nfs/dbraw/zinc/11/12/13/972111213.db2.gz QJLKLMHAGOYTKU-UONOGXRCSA-N 2 0 271.449 1.811 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CCF ZINC001569218341 1169724026 /nfs/dbraw/zinc/72/40/26/1169724026.db2.gz RORQWOLUOGFZER-AWEZNQCLSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)CC[N@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001492420942 955875957 /nfs/dbraw/zinc/87/59/57/955875957.db2.gz DGEMCEOBYDIGJQ-CQSZACIVSA-N 2 0 269.433 1.422 10 0 CDAERP CC[NH+](CC)CC[C@H](C)NC(=O)N(C)CC[N@H+](C)C1CC1 ZINC001365445111 956040455 /nfs/dbraw/zinc/04/04/55/956040455.db2.gz BJNDAOANRJBZOT-AWEZNQCLSA-N 2 0 298.475 1.842 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)C1 ZINC001363447659 972175050 /nfs/dbraw/zinc/17/50/50/972175050.db2.gz NFPYNKIGSPRRSG-QKPAOTATSA-N 2 0 293.455 1.659 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2cccc(F)c2)C1 ZINC001365973929 956480405 /nfs/dbraw/zinc/48/04/05/956480405.db2.gz GOLIONSVVIFPSZ-HNNXBMFYSA-N 2 0 293.386 1.468 10 0 CDAERP C[NH2+]C[C@@H](C)CNC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC001330585678 956498827 /nfs/dbraw/zinc/49/88/27/956498827.db2.gz ZKMGFGFRVGNXKK-RISCZKNCSA-N 2 0 261.369 1.193 10 0 CDAERP CCC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1CCC)C1CC1 ZINC001366049205 956532998 /nfs/dbraw/zinc/53/29/98/956532998.db2.gz XYYACLJUBLPFTH-CABCVRRESA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH2+]CC1CCC1)C1CC1 ZINC001423064859 956554747 /nfs/dbraw/zinc/55/47/47/956554747.db2.gz TVYWNTFUAJLLJH-HNNXBMFYSA-N 2 0 281.444 1.611 10 0 CDAERP CO[C@H](C)C[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001366214303 956640918 /nfs/dbraw/zinc/64/09/18/956640918.db2.gz YBTMUEKDDKVIMG-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1CCN(C(=O)CCCn2ccnc2)C1 ZINC001366387854 956787258 /nfs/dbraw/zinc/78/72/58/956787258.db2.gz HADPTPPHDWIOOU-KBPBESRZSA-N 2 0 296.390 1.602 10 0 CDAERP Cc1ncc(C[NH2+][C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)o1 ZINC001366387418 956788460 /nfs/dbraw/zinc/78/84/60/956788460.db2.gz DPSVIOZCLCCRBN-ZDUSSCGKSA-N 2 0 294.399 1.014 10 0 CDAERP CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001423577612 956874091 /nfs/dbraw/zinc/87/40/91/956874091.db2.gz LBCYLLLBNVGCIH-GDBMZVCRSA-N 2 0 281.444 1.851 10 0 CDAERP CC(C)[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001317012841 956926158 /nfs/dbraw/zinc/92/61/58/956926158.db2.gz LLYGWBNJKKCVSF-MRVWCRGKSA-N 2 0 267.417 1.219 10 0 CDAERP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H](C[NH2+]CCCF)C1CC1 ZINC001331271837 956936070 /nfs/dbraw/zinc/93/60/70/956936070.db2.gz ZILGEALNGAAUTC-KBPBESRZSA-N 2 0 285.407 1.267 10 0 CDAERP CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001423679298 956936506 /nfs/dbraw/zinc/93/65/06/956936506.db2.gz HLKNZKWQZAJVEO-GOEBONIOSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@H](C(=O)N(C)[C@@H](C[NH2+]CCF)C1CC1)[NH+](C)C ZINC001331348528 956985576 /nfs/dbraw/zinc/98/55/76/956985576.db2.gz SSDNDRLDPFCUJS-OLZOCXBDSA-N 2 0 273.396 1.123 10 0 CDAERP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC[N@H+]1CCC[C@@H](C)O ZINC001366680562 957110469 /nfs/dbraw/zinc/11/04/69/957110469.db2.gz YXFOHKPFXPENNC-HUUCEWRRSA-N 2 0 299.459 1.068 10 0 CDAERP CC[C@H](C(=O)NCCC[N@H+](C(C)C)C1CC1)[NH+](C)C ZINC001316918070 957126140 /nfs/dbraw/zinc/12/61/40/957126140.db2.gz OCEQYJBBJNGJJE-CQSZACIVSA-N 2 0 269.433 1.706 10 0 CDAERP CCCCOCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001316984301 957180078 /nfs/dbraw/zinc/18/00/78/957180078.db2.gz IITZXDATENWATA-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CCCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](CC)C1 ZINC001366804559 957192789 /nfs/dbraw/zinc/19/27/89/957192789.db2.gz IFMLBVDKRNZBOQ-GJZGRUSLSA-N 2 0 281.444 1.804 10 0 CDAERP CC[C@H](C(=O)NCC[C@@H]1CC[N@H+](CC2CCC2)C1)[NH+](C)C ZINC001366850244 957223356 /nfs/dbraw/zinc/22/33/56/957223356.db2.gz GVIKIARMYKWFMB-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001317090829 957264772 /nfs/dbraw/zinc/26/47/72/957264772.db2.gz GPOBJFYUJLKOCO-XUXIUFHCSA-N 2 0 269.433 1.610 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCCCCF)C2)C1 ZINC001317125944 957290904 /nfs/dbraw/zinc/29/09/04/957290904.db2.gz GBCJOERHXRSPRC-MCIONIFRSA-N 2 0 285.407 1.315 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001317161675 957314149 /nfs/dbraw/zinc/31/41/49/957314149.db2.gz JFRZTOGHGIFABI-CQSZACIVSA-N 2 0 269.433 1.566 10 0 CDAERP CC[C@H](C)C[NH2+]CC1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001424748160 957332056 /nfs/dbraw/zinc/33/20/56/957332056.db2.gz GIDKYXNHWVBVJQ-NFOMZHRRSA-N 2 0 293.455 1.613 10 0 CDAERP C[C@@H]1[C@H]([NH2+]CC2CC2)CCN1C(=O)CCCC[NH+](C)C ZINC001331930681 957342585 /nfs/dbraw/zinc/34/25/85/957342585.db2.gz YGVPHAVQRTXUKJ-UKRRQHHQSA-N 2 0 281.444 1.707 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CCCF)C1 ZINC001317339939 957429966 /nfs/dbraw/zinc/42/99/66/957429966.db2.gz OTDBZAXHKJQMIG-ZDUSSCGKSA-N 2 0 273.396 1.126 10 0 CDAERP CC[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001332110081 957437581 /nfs/dbraw/zinc/43/75/81/957437581.db2.gz IGBBXLSWHGHFMY-GXTWGEPZSA-N 2 0 253.390 1.071 10 0 CDAERP CC(C)N(CC[N@H+](C)CC1CC1)C(=O)C[NH+](C)C(C)C ZINC001426126591 957697690 /nfs/dbraw/zinc/69/76/90/957697690.db2.gz PPUXLVPRCZILDN-UHFFFAOYSA-N 2 0 283.460 1.905 10 0 CDAERP CC[N@@H+]1CCC[C@@H](CN[C@@H]2CC[NH2+]C23CCC3)C1 ZINC001332875465 957909239 /nfs/dbraw/zinc/90/92/39/957909239.db2.gz BBCGPPMUAWSROW-UONOGXRCSA-N 2 0 251.418 1.593 10 0 CDAERP CC[C@H](C(=O)N[C@H](C[NH2+]CCF)C(C)(C)C)[NH+](C)C ZINC001332881803 957915089 /nfs/dbraw/zinc/91/50/89/957915089.db2.gz NCANJVAUNOXIQR-VXGBXAGGSA-N 2 0 275.412 1.417 10 0 CDAERP CCC[NH2+]CCC1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001318915787 958301241 /nfs/dbraw/zinc/30/12/41/958301241.db2.gz WRZUAJGMQVLUKT-OAHLLOKOSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C[NH2+]CCF ZINC001319195087 958425420 /nfs/dbraw/zinc/42/54/20/958425420.db2.gz FJHHFJMUYISXAO-DZGCQCFKSA-N 2 0 299.434 1.705 10 0 CDAERP CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001319515924 958607023 /nfs/dbraw/zinc/60/70/23/958607023.db2.gz SPBLVTKIIRPRDA-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)COCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001319574949 958636378 /nfs/dbraw/zinc/63/63/78/958636378.db2.gz QQBGVYYKBHOCDN-HUUCEWRRSA-N 2 0 299.459 1.047 10 0 CDAERP CC(C)[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CCCF ZINC001319915153 958784620 /nfs/dbraw/zinc/78/46/20/958784620.db2.gz INEYDDKBDNYTEA-LSDHHAIUSA-N 2 0 299.434 1.418 10 0 CDAERP CC[N@@H+]1CCC[C@@H](CNC(=[NH2+])NC[C@H]2CCCS2)C1 ZINC001334086626 958825034 /nfs/dbraw/zinc/82/50/34/958825034.db2.gz HOJKWLIKEJFLJO-QWHCGFSZSA-N 2 0 284.473 1.728 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CCF)CC2 ZINC001368423954 958833542 /nfs/dbraw/zinc/83/35/42/958833542.db2.gz NLCFBIWKTXSKQL-UHFFFAOYSA-N 2 0 285.407 1.222 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001368568434 958972849 /nfs/dbraw/zinc/97/28/49/958972849.db2.gz WWBPDBNGJNQEOO-KBPBESRZSA-N 2 0 287.423 1.467 10 0 CDAERP CC[NH2+]CC1(NC(=O)CC[NH+]2CCCCC2)CCOCC1 ZINC001368634548 959009139 /nfs/dbraw/zinc/00/91/39/959009139.db2.gz RJCJNHNHXFNYFZ-UHFFFAOYSA-N 2 0 297.443 1.137 10 0 CDAERP C[C@@H](F)CC[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001368801967 959142169 /nfs/dbraw/zinc/14/21/69/959142169.db2.gz HXFWYLMEPIOERB-HUUCEWRRSA-N 2 0 299.434 1.753 10 0 CDAERP C[NH+]1CCC(CC[NH2+][C@@H]2CN3C[C@@H]2CCC3)CC1 ZINC001335213553 959638334 /nfs/dbraw/zinc/63/83/34/959638334.db2.gz XAQYNPHQOMRNBD-LSDHHAIUSA-N 2 0 251.418 1.402 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccns1 ZINC001371321602 972470035 /nfs/dbraw/zinc/47/00/35/972470035.db2.gz RPGUBHHLLUOSPA-YPMHNXCESA-N 2 0 296.440 1.222 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CCC[NH2+]CC2CC2)C1 ZINC001322658577 960288970 /nfs/dbraw/zinc/28/89/70/960288970.db2.gz YQMLQJOLFLAAPO-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP CN(CCC[NH2+]CC1CCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001322831729 960336487 /nfs/dbraw/zinc/33/64/87/960336487.db2.gz NNYXDHPREZLSRE-CQSZACIVSA-N 2 0 267.417 1.176 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CCC(CC[NH2+]CCCF)CC2)C1 ZINC001495446299 972504267 /nfs/dbraw/zinc/50/42/67/972504267.db2.gz VFGHBQHVNZSCIL-HNNXBMFYSA-N 2 0 299.434 1.516 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC001433617327 960455916 /nfs/dbraw/zinc/45/59/16/960455916.db2.gz QFAIVZMIBPNRTK-CAOSSQGBSA-N 2 0 293.455 1.850 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]CCF)C1CC1 ZINC001323114773 960463014 /nfs/dbraw/zinc/46/30/14/960463014.db2.gz UTNYFHKWVYDWPA-ZIAGYGMSSA-N 2 0 285.407 1.315 10 0 CDAERP CC(C)[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001323441159 960738027 /nfs/dbraw/zinc/73/80/27/960738027.db2.gz GPPPSXCRKQLEFI-ZDUSSCGKSA-N 2 0 267.417 1.506 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CCCF)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001324083081 961158622 /nfs/dbraw/zinc/15/86/22/961158622.db2.gz VGVWWVJIAXDPMO-KGLIPLIRSA-N 2 0 299.434 1.657 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001569351245 1169785805 /nfs/dbraw/zinc/78/58/05/1169785805.db2.gz ZQMAHYXLZGJHSD-ZYDHHDLOSA-N 2 0 279.428 1.627 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001418957549 961195654 /nfs/dbraw/zinc/19/56/54/961195654.db2.gz OQMPCJRNZSCUMR-KGLIPLIRSA-N 2 0 299.434 1.799 10 0 CDAERP C[C@H](F)CC[NH+]1CC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001419034692 961286933 /nfs/dbraw/zinc/28/69/33/961286933.db2.gz GKHSKBJNNUJPOL-STQMWFEESA-N 2 0 285.407 1.124 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1nccs1 ZINC001419279450 961577307 /nfs/dbraw/zinc/57/73/07/961577307.db2.gz GTWGDDPLBLYRBG-NWDGAFQWSA-N 2 0 296.440 1.079 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001419589535 961843632 /nfs/dbraw/zinc/84/36/32/961843632.db2.gz FVHDEWKREGHNGH-AWEZNQCLSA-N 2 0 281.444 1.851 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@H]1C[NH+](CCC(C)C)CCO1 ZINC001419593117 961852415 /nfs/dbraw/zinc/85/24/15/961852415.db2.gz HUIOTIVBPKCEDD-HNNXBMFYSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[NH2+]CCF ZINC001419739227 962053777 /nfs/dbraw/zinc/05/37/77/962053777.db2.gz DOUOYLRMSDDFMU-KGLIPLIRSA-N 2 0 299.434 1.705 10 0 CDAERP CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001436325793 962183050 /nfs/dbraw/zinc/18/30/50/962183050.db2.gz SFIPWRBAWXJLIS-GJZGRUSLSA-N 2 0 281.444 1.804 10 0 CDAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccc(F)cc1 ZINC001419931663 962252717 /nfs/dbraw/zinc/25/27/17/962252717.db2.gz ZHBHOSVOFDEJQH-ZDUSSCGKSA-N 2 0 293.386 1.516 10 0 CDAERP C[C@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]C/C=C/Cl ZINC001420106652 962476371 /nfs/dbraw/zinc/47/63/71/962476371.db2.gz PKUAITUOQMNSMH-FMQXYTONSA-N 2 0 287.835 1.708 10 0 CDAERP CC(C)OCC[N@H+](C)CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001420351274 962776162 /nfs/dbraw/zinc/77/61/62/962776162.db2.gz XJCPPAYAFNFFRV-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP CCN(CCNC(=O)C[N@H+](C)C(C)C)Cc1cncs1 ZINC001420451618 962920974 /nfs/dbraw/zinc/92/09/74/962920974.db2.gz UUZSAQUHSLKPEU-UHFFFAOYSA-N 2 0 298.456 1.421 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CC(C)C ZINC001420688051 963181026 /nfs/dbraw/zinc/18/10/26/963181026.db2.gz XUZPVWQHVUMWDN-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@H](C)C[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001437991110 963276859 /nfs/dbraw/zinc/27/68/59/963276859.db2.gz KYCJIPFUMHAJPF-GJZGRUSLSA-N 2 0 283.460 1.765 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1C[NH+](CC2CCC2)C1 ZINC001438129773 963334424 /nfs/dbraw/zinc/33/44/24/963334424.db2.gz PRVRUNFRNFAFOP-MRXNPFEDSA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)CCC[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001438162141 963347562 /nfs/dbraw/zinc/34/75/62/963347562.db2.gz ODVBJTYUWLVDRE-OAHLLOKOSA-N 2 0 281.444 1.422 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001421212585 963500775 /nfs/dbraw/zinc/50/07/75/963500775.db2.gz VMQJMHOQPJYJKE-OCCSQVGLSA-N 2 0 273.396 1.267 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]C(C)C)C(C)C ZINC001438796050 963554747 /nfs/dbraw/zinc/55/47/47/963554747.db2.gz DRGWWXFLOATGJA-HUUCEWRRSA-N 2 0 283.460 2.000 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CC1CC1 ZINC001421426728 963602166 /nfs/dbraw/zinc/60/21/66/963602166.db2.gz SXWAHULWXAPZAV-LSDHHAIUSA-N 2 0 279.428 1.223 10 0 CDAERP C[C@@H](C[NH2+]CC1CCCC1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001439248468 963690576 /nfs/dbraw/zinc/69/05/76/963690576.db2.gz ZZPHFXKDWMJJRI-XJKSGUPXSA-N 2 0 293.455 1.613 10 0 CDAERP CC[C@H](C)C[N@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C(C)C ZINC001439400298 963753173 /nfs/dbraw/zinc/75/31/73/963753173.db2.gz AQMKZZAZSBGWCZ-UONOGXRCSA-N 2 0 271.449 1.809 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001439847059 963877639 /nfs/dbraw/zinc/87/76/39/963877639.db2.gz FUKOJMNQRSAMLJ-GOEBONIOSA-N 2 0 295.471 1.955 10 0 CDAERP CCCC[N@@H+]1CCC[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001439932887 963897491 /nfs/dbraw/zinc/89/74/91/963897491.db2.gz AKAGSWJUDAIOCO-MRXNPFEDSA-N 2 0 283.460 1.957 10 0 CDAERP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CCC[NH+](CCF)C2)CC[N@@H+]1C ZINC001439944516 963899757 /nfs/dbraw/zinc/89/97/57/963899757.db2.gz ZKRHUWUGPDSZDV-IIAWOOMASA-N 2 0 299.434 1.514 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001440241511 963954887 /nfs/dbraw/zinc/95/48/87/963954887.db2.gz JPCVIRHZNYNAOV-OLZOCXBDSA-N 2 0 273.396 1.219 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001440362363 963999879 /nfs/dbraw/zinc/99/98/79/963999879.db2.gz NHDCLJYHGBICBV-APIJFGDWSA-N 2 0 281.444 1.469 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+]CCC2CC2)C1 ZINC001440403850 964021436 /nfs/dbraw/zinc/02/14/36/964021436.db2.gz XHNFMRXDIMLHBQ-LSDHHAIUSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001441296757 964455104 /nfs/dbraw/zinc/45/51/04/964455104.db2.gz QPJSKVBPPZCMDT-JKSUJKDBSA-N 2 0 295.471 1.765 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001441415771 964505982 /nfs/dbraw/zinc/50/59/82/964505982.db2.gz NUJQUJGFEZFSOC-XJFOESAGSA-N 2 0 285.407 1.313 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCC[NH+]2CCCF)C1 ZINC001441655378 964638300 /nfs/dbraw/zinc/63/83/00/964638300.db2.gz YARUVPXVLGDKQF-CABCVRRESA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(F)cn1 ZINC001442060636 964850383 /nfs/dbraw/zinc/85/03/83/964850383.db2.gz GEWDGIGULWYWEW-GFCCVEGCSA-N 2 0 296.390 1.155 10 0 CDAERP C[C@H](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]C/C=C/Cl ZINC001442263313 964964967 /nfs/dbraw/zinc/96/49/67/964964967.db2.gz YTHPRNWYFZSYEZ-NPXAJTFRSA-N 2 0 299.846 1.565 10 0 CDAERP C[C@@H](CCNC(=O)CC[NH+](C)C)[NH2+]C/C(Cl)=C\Cl ZINC001442291268 964975838 /nfs/dbraw/zinc/97/58/38/964975838.db2.gz QWMRSNCLBOGTGP-NGPGYTDTSA-N 2 0 296.242 1.742 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)Nc2ccc3c[nH+]cn3c2)C1 ZINC001558590160 965326425 /nfs/dbraw/zinc/32/64/25/965326425.db2.gz ANQHLUMSOBUHPL-NSHDSACASA-N 2 0 258.325 1.615 10 0 CDAERP CCCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@H+](CCOC)C1 ZINC001443184856 965383845 /nfs/dbraw/zinc/38/38/45/965383845.db2.gz HOMCWDRWLUTCFL-OAHLLOKOSA-N 2 0 299.459 1.286 10 0 CDAERP CC[C@@H](C(=O)NCC1([NH2+]CCC(C)C)CC1)[NH+](C)C ZINC001569419150 1169872895 /nfs/dbraw/zinc/87/28/95/1169872895.db2.gz VTSBYBMWUGUTLO-ZDUSSCGKSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001444247955 965769072 /nfs/dbraw/zinc/76/90/72/965769072.db2.gz UWFRQMSAFQJOKQ-CVEARBPZSA-N 2 0 295.471 1.909 10 0 CDAERP CC(C)[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC1CCC1 ZINC001444908233 965998210 /nfs/dbraw/zinc/99/82/10/965998210.db2.gz GZRMKNIZHDUUFQ-HOCLYGCPSA-N 2 0 295.471 1.859 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)c1cccc(CC[NH+](C)C)c1 ZINC001446803511 966639650 /nfs/dbraw/zinc/63/96/50/966639650.db2.gz JDISQHKXONIVTE-UHFFFAOYSA-N 2 0 291.439 1.814 10 0 CDAERP C[C@H](F)CC[N@@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001447040898 966685048 /nfs/dbraw/zinc/68/50/48/966685048.db2.gz BHVUMFJJGNJRSP-SOUVJXGZSA-N 2 0 299.434 1.609 10 0 CDAERP CC(C)[N@H+](C)CCCNC(=O)[C@H]1CC[C@H]2C[C@@H](C)C[NH+]2C1 ZINC001350892556 966790167 /nfs/dbraw/zinc/79/01/67/966790167.db2.gz QJGSJPLOIQRRCP-PMPSAXMXSA-N 2 0 295.471 1.953 10 0 CDAERP COC[C@@H](C)[NH2+]C1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001447940329 966934773 /nfs/dbraw/zinc/93/47/73/966934773.db2.gz BZZJUFFYCSCBRW-WLYUNCDWSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)CC[N@H+](C)[C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001448049721 966978133 /nfs/dbraw/zinc/97/81/33/966978133.db2.gz ZASFAWARHYOFOF-AWEZNQCLSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CCC1CCCC1 ZINC001448080739 966989514 /nfs/dbraw/zinc/98/95/14/966989514.db2.gz DJXWKPHPDWHYNW-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccon2)C1 ZINC001448507620 967133616 /nfs/dbraw/zinc/13/36/16/967133616.db2.gz CEFHWADUPLOEAT-MQMHXKEQSA-N 2 0 294.399 1.001 10 0 CDAERP C[NH+](C)C1(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)CCCC1 ZINC001455416171 968707354 /nfs/dbraw/zinc/70/73/54/968707354.db2.gz KMIUJKFOXNEQQV-ZIAGYGMSSA-N 2 0 279.428 1.556 10 0 CDAERP CC(C)(C)[NH2+]CCC(=O)NC[C@H]1C[NH+]2CCC1CC2 ZINC001456763233 969043870 /nfs/dbraw/zinc/04/38/70/969043870.db2.gz UMCGOLZPKMKMHL-ZDUSSCGKSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@@H]1CN(C(=[NH2+])NCC2(C[NH+](C)C)CCCC2)CCO1 ZINC000849018913 969406610 /nfs/dbraw/zinc/40/66/10/969406610.db2.gz LIPPCTNCMDRZKW-CYBMUJFWSA-N 2 0 282.432 1.353 10 0 CDAERP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@@H]2CCCC[C@H]2O)CC1 ZINC001460109457 969476986 /nfs/dbraw/zinc/47/69/86/969476986.db2.gz BWTFTNXUNZESGA-JKSUJKDBSA-N 2 0 298.471 1.610 10 0 CDAERP O=C(CC[N@H+]1CC[C@@H](F)C1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001465296164 969862114 /nfs/dbraw/zinc/86/21/14/969862114.db2.gz GCISCCFYHCGUPH-LSDHHAIUSA-N 2 0 297.418 1.365 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+]2CC[C@@H](F)C2)C1 ZINC001361693282 970429063 /nfs/dbraw/zinc/42/90/63/970429063.db2.gz QQHYOFPMICSIMU-LSDHHAIUSA-N 2 0 299.434 1.657 10 0 CDAERP CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+]2C2CCCC2)C1 ZINC001472451507 970647996 /nfs/dbraw/zinc/64/79/96/970647996.db2.gz VBCFODCXXHXGFZ-LSDHHAIUSA-N 2 0 279.428 1.556 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC001361950287 970705704 /nfs/dbraw/zinc/70/57/04/970705704.db2.gz BPLJGHYPHBELCA-CABCVRRESA-N 2 0 293.455 1.707 10 0 CDAERP C[C@H](NC(=O)CC[N@@H+]1CC[C@@H](F)C1)C(C)(C)C[NH+](C)C ZINC001361984206 970741658 /nfs/dbraw/zinc/74/16/58/970741658.db2.gz VCHXKJGNQONYCX-QWHCGFSZSA-N 2 0 287.423 1.513 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001371520685 972538942 /nfs/dbraw/zinc/53/89/42/972538942.db2.gz OVQYSVJBMMRQGK-KGLIPLIRSA-N 2 0 297.418 1.553 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C[NH2+]C/C=C/Cl ZINC001495721389 972608734 /nfs/dbraw/zinc/60/87/34/972608734.db2.gz DDITWCSIKRKJMK-YTDWTQRBSA-N 2 0 287.835 1.565 10 0 CDAERP C[C@H](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]C/C=C\Cl ZINC001371866962 972661240 /nfs/dbraw/zinc/66/12/40/972661240.db2.gz IMZFTZDFFRVYHX-NAFLWYGVSA-N 2 0 287.835 1.565 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001372031674 972757591 /nfs/dbraw/zinc/75/75/91/972757591.db2.gz VGKKZVYIOHAZRM-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001496230138 972848727 /nfs/dbraw/zinc/84/87/27/972848727.db2.gz QZAKMWNHPAJUCM-KBPBESRZSA-N 2 0 267.417 1.341 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]CC[C@H]1CCCO1 ZINC001496252238 972858069 /nfs/dbraw/zinc/85/80/69/972858069.db2.gz XJLQBKWQFCRDSG-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001496837112 973103741 /nfs/dbraw/zinc/10/37/41/973103741.db2.gz YIXFZFVNZVAHTQ-ZIAGYGMSSA-N 2 0 269.433 1.374 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC ZINC001373043441 973238168 /nfs/dbraw/zinc/23/81/68/973238168.db2.gz JNECTPLBAUJMCC-MJBXVCDLSA-N 2 0 285.407 1.361 10 0 CDAERP CCN(CCC[NH+]1CCCC1)C(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001417716080 973323315 /nfs/dbraw/zinc/32/33/15/973323315.db2.gz GIIPTKKNMHTJAU-OAHLLOKOSA-N 2 0 299.434 1.755 10 0 CDAERP CC(C)[NH+](C)CC(=O)N(C)C[C@H]1CC[N@H+]1CC[C@H](C)F ZINC001417758617 973368600 /nfs/dbraw/zinc/36/86/00/973368600.db2.gz FDTWAXDBQUYHBK-UONOGXRCSA-N 2 0 287.423 1.607 10 0 CDAERP CCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001569661747 1169959225 /nfs/dbraw/zinc/95/92/25/1169959225.db2.gz HVSBCBZGCKXBHA-HOCLYGCPSA-N 2 0 281.444 1.709 10 0 CDAERP CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@@H]2C1 ZINC001417842911 973411596 /nfs/dbraw/zinc/41/15/96/973411596.db2.gz RQCJSUIFPCHORV-CVEARBPZSA-N 2 0 295.471 1.907 10 0 CDAERP CCCC[NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001497656238 973451978 /nfs/dbraw/zinc/45/19/78/973451978.db2.gz GUJWEEKUINANMF-VOTSOKGWSA-N 2 0 281.444 1.923 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001373639032 973537806 /nfs/dbraw/zinc/53/78/06/973537806.db2.gz WUVFHPLHCJOJLD-CQSZACIVSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001418113483 973592151 /nfs/dbraw/zinc/59/21/51/973592151.db2.gz HEOOVCPAJNSSHY-AYDFFVQHSA-N 2 0 297.418 1.457 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)COC)C1 ZINC001418115051 973594604 /nfs/dbraw/zinc/59/46/04/973594604.db2.gz YEFLPGCUIAUITK-KBXIAJHMSA-N 2 0 297.443 1.133 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1cccnc1C)[NH+](C)C ZINC001418237621 973687955 /nfs/dbraw/zinc/68/79/55/973687955.db2.gz PRHXLMUIOQGPOI-SWLSCSKDSA-N 2 0 292.427 1.325 10 0 CDAERP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CCC(F)(F)F ZINC001418300207 973736773 /nfs/dbraw/zinc/73/67/73/973736773.db2.gz JHMYNIVYQGQUPS-GHMZBOCLSA-N 2 0 295.349 1.375 10 0 CDAERP C[C@@H](C[N@H+](C)CC1CCCC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001498365728 973863394 /nfs/dbraw/zinc/86/33/94/973863394.db2.gz DHCOFZGZEXUIJE-AWEZNQCLSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H]([NH2+]CC1CC1)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001374388555 973916039 /nfs/dbraw/zinc/91/60/39/973916039.db2.gz FPPGKHURCNEBTI-HIFRSBDPSA-N 2 0 281.444 1.565 10 0 CDAERP CC[N@H+](C)CCC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001374404882 973922970 /nfs/dbraw/zinc/92/29/70/973922970.db2.gz CUZGEUIKJDJAHD-UHFFFAOYSA-N 2 0 281.444 1.663 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)C[C@H]1CCO[C@@H](C)C1 ZINC001418528843 973929997 /nfs/dbraw/zinc/92/99/97/973929997.db2.gz WSOATCUQOKRJRU-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH2+]CCCF)CC[N@@H+]1C ZINC001498550603 973980230 /nfs/dbraw/zinc/98/02/30/973980230.db2.gz VISYGTQVNGTBEY-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP CCC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001498556504 973982129 /nfs/dbraw/zinc/98/21/29/973982129.db2.gz QDIADXJNQOKARQ-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP CC[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]1[NH2+]CC1CC1 ZINC001498907387 974101707 /nfs/dbraw/zinc/10/17/07/974101707.db2.gz OOJKHZNEFIMOFV-JKSUJKDBSA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1cnccc1C)[NH+](C)C ZINC001374962829 974191546 /nfs/dbraw/zinc/19/15/46/974191546.db2.gz WYHAWFAEMIYWNF-DZGCQCFKSA-N 2 0 292.427 1.325 10 0 CDAERP C[C@H](C[N@H+](C)CCc1cccs1)NC(=O)CC[NH+](C)C ZINC001375098089 974259055 /nfs/dbraw/zinc/25/90/55/974259055.db2.gz ZVJIPVUMZMBUJH-CYBMUJFWSA-N 2 0 297.468 1.679 10 0 CDAERP C[C@@H](O)C[NH2+][C@@H]1CCCCCN(C(=O)CCC[NH+](C)C)C1 ZINC001375648806 974445386 /nfs/dbraw/zinc/44/53/86/974445386.db2.gz KRZXXBOZXYEZBR-HUUCEWRRSA-N 2 0 299.459 1.070 10 0 CDAERP CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001501070657 974526210 /nfs/dbraw/zinc/52/62/10/974526210.db2.gz ICIFBJMOKONVME-QWHCGFSZSA-N 2 0 255.406 1.175 10 0 CDAERP C[C@H](F)CC[N@@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001376062807 974549090 /nfs/dbraw/zinc/54/90/90/974549090.db2.gz WZMOWZOQLHCOKT-KBPBESRZSA-N 2 0 299.434 1.657 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001502026668 974675894 /nfs/dbraw/zinc/67/58/94/974675894.db2.gz VHUVVNLCXGQYDV-ZDUSSCGKSA-N 2 0 267.417 1.367 10 0 CDAERP CC[C@@H](C)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001502026567 974677736 /nfs/dbraw/zinc/67/77/36/974677736.db2.gz SZOCEEGQOFNZQC-KGLIPLIRSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@H](O)CCC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001376574756 974690474 /nfs/dbraw/zinc/69/04/74/974690474.db2.gz HYHZCZGCNVEUPQ-LSDHHAIUSA-N 2 0 299.459 1.070 10 0 CDAERP COCC[NH2+]C1(C)CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001502782750 974783834 /nfs/dbraw/zinc/78/38/34/974783834.db2.gz VIBAVJPVPXNYHH-UHFFFAOYSA-N 2 0 297.443 1.088 10 0 CDAERP CC1CC(C[N@H+](C)[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001376979200 974835942 /nfs/dbraw/zinc/83/59/42/974835942.db2.gz NQMRMSIVZCXMFQ-UYSNPLJNSA-N 2 0 295.471 1.907 10 0 CDAERP C[NH+](C)CCC(=O)NCC[N@H+](C)Cc1ccc(Cl)cc1 ZINC001377260877 974948334 /nfs/dbraw/zinc/94/83/34/974948334.db2.gz MUPZMRLAQCNWAT-UHFFFAOYSA-N 2 0 297.830 1.840 10 0 CDAERP Cc1ncccc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001505687025 974964310 /nfs/dbraw/zinc/96/43/10/974964310.db2.gz YBCYSSSYORELHB-QWHCGFSZSA-N 2 0 292.427 1.325 10 0 CDAERP CC[C@@H](C)C[N@H+](CC)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001377334389 974979481 /nfs/dbraw/zinc/97/94/81/974979481.db2.gz DIBKLALZPDURKD-CABCVRRESA-N 2 0 283.460 1.812 10 0 CDAERP CCCC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001505801272 974991416 /nfs/dbraw/zinc/99/14/16/974991416.db2.gz CNJQREYBHUXBIB-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1CNC(=O)C[C@H](C)n1ccnc1 ZINC001377405201 975010193 /nfs/dbraw/zinc/01/01/93/975010193.db2.gz NDMUTDIGWYTLNP-KBPBESRZSA-N 2 0 278.400 1.823 10 0 CDAERP C[C@@H]([NH2+]Cc1ccccn1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001377849527 975156241 /nfs/dbraw/zinc/15/62/41/975156241.db2.gz NJSJQSKLWRGABC-OLZOCXBDSA-N 2 0 278.400 1.016 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]CC2CC2)CC1 ZINC001377879230 975164573 /nfs/dbraw/zinc/16/45/73/975164573.db2.gz URWIENJBTRVGBD-KBPBESRZSA-N 2 0 295.471 2.000 10 0 CDAERP C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[N@H+](C)CCCF ZINC001378039044 975215257 /nfs/dbraw/zinc/21/52/57/975215257.db2.gz CYJCTGPHLBJEAV-OCCSQVGLSA-N 2 0 285.407 1.124 10 0 CDAERP CC[N@H+](C)C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001506970959 975278483 /nfs/dbraw/zinc/27/84/83/975278483.db2.gz SZZIEMMHHBWMRN-UHFFFAOYSA-N 2 0 269.433 1.661 10 0 CDAERP CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)[C@@H](C[NH2+]CCF)C1CC1 ZINC001507011328 975293859 /nfs/dbraw/zinc/29/38/59/975293859.db2.gz LZTSXZIRNYMHLM-GJZGRUSLSA-N 2 0 299.434 1.657 10 0 CDAERP CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]CCCF)[NH+](C)C ZINC001507145841 975353662 /nfs/dbraw/zinc/35/36/62/975353662.db2.gz AKBBAZUIOLLXAP-NWDGAFQWSA-N 2 0 261.385 1.123 10 0 CDAERP CC[C@@H](C)C[NH+]1CC([C@@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001378524648 975376898 /nfs/dbraw/zinc/37/68/98/975376898.db2.gz AHXLILRQSHTPAJ-ZIAGYGMSSA-N 2 0 295.471 1.953 10 0 CDAERP CCCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](CC)C1 ZINC001404431998 975391056 /nfs/dbraw/zinc/39/10/56/975391056.db2.gz GXKSRLUNWWXNHT-AWEZNQCLSA-N 2 0 279.428 1.415 10 0 CDAERP CCC[N@@H+]1CC[C@@]2(NC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001507349441 975427233 /nfs/dbraw/zinc/42/72/33/975427233.db2.gz UVTQVOBGCNOJLI-ZBFHGGJFSA-N 2 0 281.444 1.851 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C(C)C)[C@H]2C1 ZINC001507362412 975431743 /nfs/dbraw/zinc/43/17/43/975431743.db2.gz GRGXERXRYIZBCY-JYJNAYRXSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001507442761 975472948 /nfs/dbraw/zinc/47/29/48/975472948.db2.gz JOOIUSQPKQGFSU-CYBMUJFWSA-N 2 0 269.433 1.421 10 0 CDAERP O=C(CC[NH+]1CCCCC1)NC[C@H]1CC[C@@H]([NH2+]CCF)C1 ZINC001397172523 975485819 /nfs/dbraw/zinc/48/58/19/975485819.db2.gz VVFZXQHHLPKDLI-LSDHHAIUSA-N 2 0 299.434 1.706 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H](C)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001378770747 975486522 /nfs/dbraw/zinc/48/65/22/975486522.db2.gz BJMUEQDRYICGKA-QWHCGFSZSA-N 2 0 287.423 1.655 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001378867526 975523748 /nfs/dbraw/zinc/52/37/48/975523748.db2.gz GIDKYXNHWVBVJQ-RBSFLKMASA-N 2 0 293.455 1.613 10 0 CDAERP C[C@H](F)CC[N@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001378933494 975548594 /nfs/dbraw/zinc/54/85/94/975548594.db2.gz YHVBVTOTCWSFLL-UONOGXRCSA-N 2 0 299.434 1.609 10 0 CDAERP CN(CC[N@H+](C)CCc1cccs1)C(=O)CC[NH+](C)C ZINC001379096791 975657589 /nfs/dbraw/zinc/65/75/89/975657589.db2.gz QLMIEHBHROEMTD-UHFFFAOYSA-N 2 0 297.468 1.633 10 0 CDAERP CC(C)[N@H+](C)CCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001379128893 975679387 /nfs/dbraw/zinc/67/93/87/975679387.db2.gz YVOMMCAWBKYAGC-LSDHHAIUSA-N 2 0 283.460 1.905 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001401631094 975751198 /nfs/dbraw/zinc/75/11/98/975751198.db2.gz DBQFNGLKIRKCSY-ZIAGYGMSSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CCc2ccccc21)NC(=O)CC[NH+](C)C ZINC001401636187 975753257 /nfs/dbraw/zinc/75/32/57/975753257.db2.gz AJAYDWXHTUBNIJ-CZUORRHYSA-N 2 0 289.423 1.720 10 0 CDAERP Cc1ncoc1C[NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001405887624 975921608 /nfs/dbraw/zinc/92/16/08/975921608.db2.gz KGGWJWHJZBODQO-LBPRGKRZSA-N 2 0 294.399 1.015 10 0 CDAERP CC[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]1[NH2+]C(C)C ZINC001401886936 975974425 /nfs/dbraw/zinc/97/44/25/975974425.db2.gz YVHRWKDWXQPBPZ-GJZGRUSLSA-N 2 0 283.460 1.952 10 0 CDAERP C[C@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1CCC1CC1 ZINC001379651122 975986404 /nfs/dbraw/zinc/98/64/04/975986404.db2.gz GLMBPWBLPLFYAF-DZGCQCFKSA-N 2 0 281.444 1.707 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001389878888 976029657 /nfs/dbraw/zinc/02/96/57/976029657.db2.gz PZCIJRAIIBRADX-SHTZXODSSA-N 2 0 293.386 1.514 10 0 CDAERP C[C@H](F)CC[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001401945896 976032147 /nfs/dbraw/zinc/03/21/47/976032147.db2.gz DDDHBTWHJSJOGW-GXTWGEPZSA-N 2 0 297.418 1.315 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC[C@H](C)F)C1)[NH+](C)C ZINC001398550293 976035176 /nfs/dbraw/zinc/03/51/76/976035176.db2.gz ADHMAXGSNKILGI-CYDGBPFRSA-N 2 0 273.396 1.312 10 0 CDAERP CC[C@H](F)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001401985114 976059237 /nfs/dbraw/zinc/05/92/37/976059237.db2.gz IWQXINGFUWRGFC-UONOGXRCSA-N 2 0 299.434 1.847 10 0 CDAERP CC[C@@H](C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1)OC ZINC001389981601 976074007 /nfs/dbraw/zinc/07/40/07/976074007.db2.gz BYFMLRFAZHJYGU-LJISPDSOSA-N 2 0 299.459 1.234 10 0 CDAERP CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001390077896 976112645 /nfs/dbraw/zinc/11/26/45/976112645.db2.gz LVEABDUVYYIZNV-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP COC[C@@H](C)[NH2+]C[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001390112100 976122823 /nfs/dbraw/zinc/12/28/23/976122823.db2.gz WHFGAMPUKHHIHB-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@]1(C)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001402187072 976169895 /nfs/dbraw/zinc/16/98/95/976169895.db2.gz FNDGZOCZXWSXQG-GDBMZVCRSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001402427982 976277906 /nfs/dbraw/zinc/27/79/06/976277906.db2.gz LMJKSWOAGWTGCM-LSDHHAIUSA-N 2 0 295.471 1.811 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001402427974 976279151 /nfs/dbraw/zinc/27/91/51/976279151.db2.gz LMJKSWOAGWTGCM-CABCVRRESA-N 2 0 295.471 1.811 10 0 CDAERP CO[C@@H](C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001380179558 976280927 /nfs/dbraw/zinc/28/09/27/976280927.db2.gz GMSQQUCZGRTVDD-ZNMIVQPWSA-N 2 0 297.443 1.038 10 0 CDAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC1CC(C)(C)C1 ZINC001390481517 976322736 /nfs/dbraw/zinc/32/27/36/976322736.db2.gz LYQDVOBKYVGDBV-ZIAGYGMSSA-N 2 0 295.471 1.859 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001402575540 976373685 /nfs/dbraw/zinc/37/36/85/976373685.db2.gz NLVYEZLPNXAMHP-SBJFKYEJSA-N 2 0 299.434 1.702 10 0 CDAERP C[C@H](CCNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CCC1CC1 ZINC001390717273 976450915 /nfs/dbraw/zinc/45/09/15/976450915.db2.gz VWPQSSWSRAMKMF-UKRRQHHQSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC2CC2)[C@H](C)C1 ZINC001402818522 976497435 /nfs/dbraw/zinc/49/74/35/976497435.db2.gz UAGXCXGTLPFBIK-HIFRSBDPSA-N 2 0 281.444 1.706 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]C[C@H]2CC[C@H](C)O2)CC1 ZINC001407004086 976508309 /nfs/dbraw/zinc/50/83/09/976508309.db2.gz JAQYOJUXVUAVIN-UONOGXRCSA-N 2 0 297.443 1.133 10 0 CDAERP CCC[N@H+](C)CCC(=O)N(C)C1C[NH+](CC2CCC2)C1 ZINC001407083041 976546610 /nfs/dbraw/zinc/54/66/10/976546610.db2.gz ONRHSTVWEVZYCH-UHFFFAOYSA-N 2 0 281.444 1.661 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H]2C[N@H+](CC3CC3)C[C@H]21 ZINC001380793020 976550430 /nfs/dbraw/zinc/55/04/30/976550430.db2.gz OMOQUIYRPAIRRZ-LSDHHAIUSA-N 2 0 279.428 1.271 10 0 CDAERP CCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001402936378 976602480 /nfs/dbraw/zinc/60/24/80/976602480.db2.gz MXZBUBGVRWYLIF-HUUCEWRRSA-N 2 0 281.444 1.661 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001381030389 976650116 /nfs/dbraw/zinc/65/01/16/976650116.db2.gz BUTJQEZFSKXMQL-KRWDZBQOSA-N 2 0 293.455 1.663 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1CCOC1 ZINC001399748016 976666823 /nfs/dbraw/zinc/66/68/23/976666823.db2.gz DGJJEGHLSNXVGD-HUUCEWRRSA-N 2 0 299.459 1.047 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)CCOC ZINC001399783360 976678824 /nfs/dbraw/zinc/67/88/24/976678824.db2.gz FBTMLCHYEWARLB-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001403081154 976697758 /nfs/dbraw/zinc/69/77/58/976697758.db2.gz BIVYUEDBFDTKGY-HNNXBMFYSA-N 2 0 295.471 1.811 10 0 CDAERP C[C@@H](CCNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]CC1CC1 ZINC001381197620 976714456 /nfs/dbraw/zinc/71/44/56/976714456.db2.gz LRZKROKZGFWBPA-DZGCQCFKSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001399931804 976754077 /nfs/dbraw/zinc/75/40/77/976754077.db2.gz PBDVKUDYFJWTAG-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP O=C(NCC[N@@H+](CCCF)C1CC1)[C@@]12CC[NH+](C1)CCC2 ZINC001400044157 976824416 /nfs/dbraw/zinc/82/44/16/976824416.db2.gz GXTYRKNULYZCLT-INIZCTEOSA-N 2 0 297.418 1.413 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH+](C)CCF)C1 ZINC001400216981 976930852 /nfs/dbraw/zinc/93/08/52/976930852.db2.gz KRVXENBQRPFLEK-HUUCEWRRSA-N 2 0 299.434 1.611 10 0 CDAERP C[C@@H](CCNC(=O)CC[NH+](C)C)[NH2+]CCC(F)(F)F ZINC001403434599 976951775 /nfs/dbraw/zinc/95/17/75/976951775.db2.gz QCMORFLMARQUBM-JTQLQIEISA-N 2 0 283.338 1.375 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@@H]1[C@H]2C[NH+](CC3CCC3)C[C@H]21 ZINC001403442168 976954794 /nfs/dbraw/zinc/95/47/94/976954794.db2.gz DBOBOAMGYYJDKW-PHZGNYQRSA-N 2 0 293.455 1.422 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NCC[C@@H](C)[NH2+]Cc1nccs1 ZINC001403494819 976990472 /nfs/dbraw/zinc/99/04/72/976990472.db2.gz VNWOACOTPOGIRY-GFCCVEGCSA-N 2 0 298.456 1.468 10 0 CDAERP CCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@H+](C[C@@H](C)OC)C1 ZINC001391653829 977015671 /nfs/dbraw/zinc/01/56/71/977015671.db2.gz DBWJSSJUCPVMAS-CABCVRRESA-N 2 0 299.459 1.284 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+]Cc1cncs1 ZINC001403622930 977111674 /nfs/dbraw/zinc/11/16/74/977111674.db2.gz FDWJXQOAFZONQP-GFCCVEGCSA-N 2 0 298.456 1.421 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+](C)CCC(C)(C)C)C1 ZINC001403690571 977146371 /nfs/dbraw/zinc/14/63/71/977146371.db2.gz WYQPXISOQVPVMH-CQSZACIVSA-N 2 0 283.460 1.812 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCF)[C@@H]2C1 ZINC001403775715 977185876 /nfs/dbraw/zinc/18/58/76/977185876.db2.gz WNVGILRPKYADPE-MJBXVCDLSA-N 2 0 285.407 1.124 10 0 CDAERP COC[C@@H](C)[N@H+](C)CCN(C(=O)[C@@H]1CC[NH+](C)C1)C(C)C ZINC001403949378 977277404 /nfs/dbraw/zinc/27/74/04/977277404.db2.gz WHPUVNNMNVVKCQ-HUUCEWRRSA-N 2 0 299.459 1.142 10 0 CDAERP C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC1CCCC1 ZINC001393826177 977929799 /nfs/dbraw/zinc/92/97/99/977929799.db2.gz BMFPZOSFUINMGQ-ZFWWWQNUSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@H](F)C[N@H+](C)[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001394124849 978077877 /nfs/dbraw/zinc/07/78/77/978077877.db2.gz PGWYVMKHRUGOGJ-STQMWFEESA-N 2 0 285.407 1.267 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](C(C)C)C[C@H]21)[NH+](CC)CC ZINC001394342282 978136791 /nfs/dbraw/zinc/13/67/91/978136791.db2.gz PQIAMFMBXPVNIP-LVQVYYBASA-N 2 0 295.471 1.809 10 0 CDAERP CC[NH+](CC)C1CCN(C(=O)C[C@H]2CC[NH2+]C2)CC1 ZINC000089745648 1174098605 /nfs/dbraw/zinc/09/86/05/1174098605.db2.gz BLLBDPUHYTVVHR-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP CCC[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C(C)(C)C ZINC001677297945 1174346788 /nfs/dbraw/zinc/34/67/88/1174346788.db2.gz RSQJOKVZZQFFHO-CYBMUJFWSA-N 2 0 281.444 1.613 10 0 CDAERP CCC[NH2+]CC[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001569988754 1170054281 /nfs/dbraw/zinc/05/42/81/1170054281.db2.gz VCCUAILJRVPPND-HNNXBMFYSA-N 2 0 293.455 1.853 10 0 CDAERP CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CCO1 ZINC001570144519 1170095035 /nfs/dbraw/zinc/09/50/35/1170095035.db2.gz QPZOSOWXHXYLKC-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H](C[NH2+]CCC1CC1)C1CC1 ZINC001571357627 1170383896 /nfs/dbraw/zinc/38/38/96/1170383896.db2.gz OTEGJASQZLUGFV-HZPDHXFCSA-N 2 0 293.455 1.707 10 0 CDAERP CCCCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001571379993 1170395695 /nfs/dbraw/zinc/39/56/95/1170395695.db2.gz GVVXQSHXWDMDAS-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP O[C@H](C[NH2+]C1CCC1)CO[C@@H]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000675079033 539085785 /nfs/dbraw/zinc/08/57/85/539085785.db2.gz DNGZWFNVDPTICO-NMFUWQPSSA-N 2 0 268.401 1.037 10 0 CDAERP C[C@H]1C[C@H](C[NH+]2CCC(Cn3cnnc3)CC2)CC[NH2+]1 ZINC000650710671 398153867 /nfs/dbraw/zinc/15/38/67/398153867.db2.gz WRJMCAZTWVCIKP-DZGCQCFKSA-N 2 0 277.416 1.378 10 0 CDAERP COc1ccc(OC)c(C[NH2+]CCC2(C[NH3+])CC2)c1 ZINC000650712005 398154675 /nfs/dbraw/zinc/15/46/75/398154675.db2.gz MHTAOBKCDNGKJR-UHFFFAOYSA-N 2 0 264.369 1.922 10 0 CDAERP C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]CCC1(C[NH3+])CC1 ZINC000650714229 398156593 /nfs/dbraw/zinc/15/65/93/398156593.db2.gz WKNMYJJPTHAWMS-ZDUSSCGKSA-N 2 0 296.436 1.567 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650755887 398179221 /nfs/dbraw/zinc/17/92/21/398179221.db2.gz OZZBYKCITLWAIW-CYBMUJFWSA-N 3 0 269.364 1.128 10 0 CDAERP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000650758751 398181655 /nfs/dbraw/zinc/18/16/55/398181655.db2.gz XAQXUXXRLMMYTR-CZUORRHYSA-N 3 0 261.413 1.978 10 0 CDAERP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H]1CCCc2c1ccc(=O)n2C ZINC000650725250 398164783 /nfs/dbraw/zinc/16/47/83/398164783.db2.gz WYZPUBJEZMIYQP-VNHYZAJKSA-N 2 0 289.423 1.883 10 0 CDAERP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C(C)C)C1(CO)CC=CC1 ZINC000653777615 539086351 /nfs/dbraw/zinc/08/63/51/539086351.db2.gz QJXKYYLHKWDUSM-CABCVRRESA-N 2 0 284.444 1.242 10 0 CDAERP Cc1nc[nH]c1CNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000335662844 361773511 /nfs/dbraw/zinc/77/35/11/361773511.db2.gz NDHIELSCUARSKH-LLVKDONJSA-N 2 0 250.346 1.113 10 0 CDAERP CCO[C@H](C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1)C1CC1 ZINC000625252747 342050904 /nfs/dbraw/zinc/05/09/04/342050904.db2.gz JKUOFXZMEDLEMW-IAGOWNOFSA-N 2 0 295.471 1.513 10 0 CDAERP CO[C@]1(C(F)(F)F)CCN(C2CC[NH2+]CC2)C1 ZINC000409430719 342168741 /nfs/dbraw/zinc/16/87/41/342168741.db2.gz IWLYFLSYMOVUGD-SNVBAGLBSA-N 2 0 252.280 1.392 10 0 CDAERP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@H]2C[C@@H]2C)CC1 ZINC000625457056 342170108 /nfs/dbraw/zinc/17/01/08/342170108.db2.gz IHKYVCQNLMQQHO-UONOGXRCSA-N 2 0 254.418 1.715 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)CC(=O)N(C)c1ccccc1 ZINC000629391587 361917648 /nfs/dbraw/zinc/91/76/48/361917648.db2.gz BBMJFWBDTGSHCS-CQSZACIVSA-N 2 0 293.411 1.254 10 0 CDAERP COC(=O)CN1CCC([NH2+]CCC[N@H+](C)CC(C)C)CC1 ZINC000593644334 342821743 /nfs/dbraw/zinc/82/17/43/342821743.db2.gz BJZZXZIGDCCTSI-UHFFFAOYSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCCC[NH+]1C ZINC000599311298 344003906 /nfs/dbraw/zinc/00/39/06/344003906.db2.gz LOIBYKQOFSVGLW-ZIAGYGMSSA-N 2 0 267.417 1.461 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)NCC[NH+]1CCCC[C@@H]1C ZINC000351763111 361923072 /nfs/dbraw/zinc/92/30/72/361923072.db2.gz FLPDNCPTRKMZPS-HNNXBMFYSA-N 2 0 298.475 1.892 10 0 CDAERP CC(C)n1ccc(C[C@H](C)[NH2+]CCOCCC[NH3+])n1 ZINC000629400406 361938044 /nfs/dbraw/zinc/93/80/44/361938044.db2.gz WHXNNUOMIMNIPL-ZDUSSCGKSA-N 2 0 268.405 1.350 10 0 CDAERP C[NH+](C)C1CCN(CC[NH2+]CC2(C)CCC2)CC1 ZINC000434780631 539044524 /nfs/dbraw/zinc/04/45/24/539044524.db2.gz ZFJHNJVVGRVJLI-UHFFFAOYSA-N 2 0 253.434 1.792 10 0 CDAERP CC(C)CN1CC[NH+]([C@@H]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000675053922 539069272 /nfs/dbraw/zinc/06/92/72/539069272.db2.gz PYANIKQKXQLVIW-HUUCEWRRSA-N 2 0 253.434 1.778 10 0 CDAERP [NH3+]C1CCC(C(=O)N2CC[NH+](C3CCC3)CC2)CC1 ZINC000118818675 539072436 /nfs/dbraw/zinc/07/24/36/539072436.db2.gz ZSGLDSFYTZDQAX-UHFFFAOYSA-N 2 0 265.401 1.201 10 0 CDAERP COC(=O)CCCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000600711441 342243771 /nfs/dbraw/zinc/24/37/71/342243771.db2.gz UFGNRTBIYLYUSX-FUNVUKJBSA-N 2 0 254.374 1.545 10 0 CDAERP CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1nccn1C ZINC000252692621 539079198 /nfs/dbraw/zinc/07/91/98/539079198.db2.gz AFPBLPODHCQKPO-KBPBESRZSA-N 2 0 262.401 1.869 10 0 CDAERP Cc1cccc(NC(=O)C[NH+]2CCC([C@H](C)[NH3+])CC2)c1 ZINC000111611907 365689723 /nfs/dbraw/zinc/68/97/23/365689723.db2.gz IWNUFJVVHVKMLM-ZDUSSCGKSA-N 2 0 275.396 1.993 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000594926626 342973271 /nfs/dbraw/zinc/97/32/71/342973271.db2.gz UUFBLEQYRUBLTE-KBUPBQIOSA-N 2 0 282.428 1.896 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCN1CC[NH+](CCCF)CC1 ZINC000626070925 342298754 /nfs/dbraw/zinc/29/87/54/342298754.db2.gz IANPAGMPTRJQRC-CQSZACIVSA-N 2 0 257.397 1.448 10 0 CDAERP C[C@@H](CSCCF)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000595029295 342997083 /nfs/dbraw/zinc/99/70/83/342997083.db2.gz WAMGWSQMRGZGED-NSHDSACASA-N 2 0 264.410 1.124 10 0 CDAERP COC(=O)CC[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595901481 343187090 /nfs/dbraw/zinc/18/70/90/343187090.db2.gz WVNPIGFCRVKOMT-CYBMUJFWSA-N 2 0 254.374 1.261 10 0 CDAERP [NH3+]C1(CC(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)CCC1 ZINC000645103702 362117908 /nfs/dbraw/zinc/11/79/08/362117908.db2.gz AABAGXUTZXXPII-STQMWFEESA-N 2 0 265.401 1.249 10 0 CDAERP C[N@H+](CCOC1CCOCC1)[C@@H]1CCC[NH2+]CC1 ZINC000629520466 362134778 /nfs/dbraw/zinc/13/47/78/362134778.db2.gz YFSRUZQPCZORTL-CYBMUJFWSA-N 2 0 256.390 1.256 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc(F)cc1N(C)C ZINC000629528743 362155508 /nfs/dbraw/zinc/15/55/08/362155508.db2.gz IFAYNSQYRXCTCQ-LBPRGKRZSA-N 2 0 283.391 1.778 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000629529641 362159242 /nfs/dbraw/zinc/15/92/42/362159242.db2.gz JGLMTDZJKPNHAM-ZDUSSCGKSA-N 2 0 265.401 1.639 10 0 CDAERP [NH3+]CC[C@@H]1CCC[N@H+](CCOC2CCOCC2)C1 ZINC000629529992 362161555 /nfs/dbraw/zinc/16/15/55/362161555.db2.gz SHQVAXUQNSZESF-ZDUSSCGKSA-N 2 0 256.390 1.243 10 0 CDAERP CCO[C@H](C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)C1CC1 ZINC000629533165 362170431 /nfs/dbraw/zinc/17/04/31/362170431.db2.gz KYWHRVFIKDHRNR-LSDHHAIUSA-N 2 0 282.428 1.489 10 0 CDAERP CCC(CC)[C@H](CNC(=O)CC[C@@H](C)[NH3+])[NH+]1CCOCC1 ZINC000193294570 282274336 /nfs/dbraw/zinc/27/43/36/282274336.db2.gz YWOCHFZCMQBSHO-HIFRSBDPSA-N 2 0 299.459 1.367 10 0 CDAERP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc2ccccc2c1 ZINC000263252604 362396898 /nfs/dbraw/zinc/39/68/98/362396898.db2.gz QBPQJTBYGRCMHM-HOTGVXAUSA-N 2 0 256.349 1.510 10 0 CDAERP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000262669304 344697133 /nfs/dbraw/zinc/69/71/33/344697133.db2.gz MFPAQNHHZFBUOL-RDBSUJKOSA-N 2 0 267.417 1.447 10 0 CDAERP Cn1cncc1CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000623085771 345197240 /nfs/dbraw/zinc/19/72/40/345197240.db2.gz DRFMMIWVBMEIIX-UHFFFAOYSA-N 2 0 282.351 1.333 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCc1cncn1C ZINC000623086554 345198435 /nfs/dbraw/zinc/19/84/35/345198435.db2.gz ZQXLSEPUXJTGIU-UHFFFAOYSA-N 2 0 296.378 1.642 10 0 CDAERP CC(C)[C@H]1CN(C(=O)[C@H]2[NH2+]CCCC2(C)C)CC[NH2+]1 ZINC000669514817 482536589 /nfs/dbraw/zinc/53/65/89/482536589.db2.gz LKTZDCCWSIUDRI-CHWSQXEVSA-N 2 0 267.417 1.221 10 0 CDAERP C[C@@]1(C(=O)Nc2cccc(-n3ccnc3)c2)CCC[NH2+]1 ZINC000079513284 362645164 /nfs/dbraw/zinc/64/51/64/362645164.db2.gz RNISIODZTLVMAB-HNNXBMFYSA-N 2 0 270.336 1.953 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN[C@H]1CC[NH+](C)C(C)(C)C1 ZINC000623339325 346068469 /nfs/dbraw/zinc/06/84/69/346068469.db2.gz UTKKNAGUBIDCHP-UONOGXRCSA-N 2 0 253.434 1.933 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)COc2ccccc2)CC1(C)C ZINC000623351634 346079031 /nfs/dbraw/zinc/07/90/31/346079031.db2.gz YSXYUAMFSVZRNM-GJZGRUSLSA-N 2 0 292.423 1.889 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CCCC[NH+]2CCOCC2)CC1(C)C ZINC000623358750 346087034 /nfs/dbraw/zinc/08/70/34/346087034.db2.gz QNMISBLODGOYSO-OAHLLOKOSA-N 3 0 283.460 1.561 10 0 CDAERP C[N@@H+]1CC[C@H](N[C@H]2CC[NH+](C3CC3)C2)CC1(C)C ZINC000623403354 346169170 /nfs/dbraw/zinc/16/91/70/346169170.db2.gz SHXZXXIORXRTDD-STQMWFEESA-N 2 0 251.418 1.686 10 0 CDAERP CCC[C@@H]1CCC[N@H+](C[C@@](O)(C[NH3+])C2CC2)CC1 ZINC000085301924 179010145 /nfs/dbraw/zinc/01/01/45/179010145.db2.gz QICUVWULCYJKSX-HIFRSBDPSA-N 2 0 254.418 1.988 10 0 CDAERP CN(CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)CC(F)(F)F ZINC000623415144 346262259 /nfs/dbraw/zinc/26/22/59/346262259.db2.gz APFZQQPFMCSMJA-LLVKDONJSA-N 2 0 281.366 1.943 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000085369807 179039942 /nfs/dbraw/zinc/03/99/42/179039942.db2.gz KRDWVOQWVMMQPQ-HUUCEWRRSA-N 2 0 279.428 1.591 10 0 CDAERP CC1CC[NH+](CCCNC(=O)[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000085371322 179041256 /nfs/dbraw/zinc/04/12/56/179041256.db2.gz AVVIUZSAHRDGMN-GJZGRUSLSA-N 2 0 281.444 1.742 10 0 CDAERP CCO[C@H]1C[C@@H]([NH2+]CCN2CC[NH+](C)CC2)C1(C)C ZINC000085385338 179046023 /nfs/dbraw/zinc/04/60/23/179046023.db2.gz WMQBKNQSDYIBOH-KGLIPLIRSA-N 2 0 269.433 1.027 10 0 CDAERP CC[C@H](C(N)=O)[N@@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403687 179053078 /nfs/dbraw/zinc/05/30/78/179053078.db2.gz VJKKJCDHNWRPQV-ZIAGYGMSSA-N 2 0 267.417 1.495 10 0 CDAERP CC(C)[N@H+](C)CCn1c2c(nc1C1CC1)C[NH2+]CC2 ZINC000085570926 179096204 /nfs/dbraw/zinc/09/62/04/179096204.db2.gz LNAWHMKWEWMXQP-UHFFFAOYSA-N 2 0 262.401 1.746 10 0 CDAERP CCCc1nc2c(n1[C@@H]1CCC[N@H+](C)C1)CC[NH2+]C2 ZINC000085572152 179096872 /nfs/dbraw/zinc/09/68/72/179096872.db2.gz YWRZYLWNJHQYBO-GFCCVEGCSA-N 2 0 262.401 1.748 10 0 CDAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000263308196 362763803 /nfs/dbraw/zinc/76/38/03/362763803.db2.gz YFMFMKHFSVLFPA-SMDDNHRTSA-N 2 0 291.782 1.558 10 0 CDAERP CC[NH+](CC)C[C@H](C)n1c(C)nc2c1CC[NH2+]C2 ZINC000085573198 179098417 /nfs/dbraw/zinc/09/84/17/179098417.db2.gz ODRYJPUPOJKCQR-NSHDSACASA-N 2 0 250.390 1.740 10 0 CDAERP C[N@@H+]1CCC[C@@H](Cn2c3c(nc2C2CC2)C[NH2+]CC3)C1 ZINC000085572764 179098865 /nfs/dbraw/zinc/09/88/65/179098865.db2.gz ZQXNMYWFFZNJAB-GFCCVEGCSA-N 2 0 274.412 1.748 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1CC[NH3+] ZINC000226081724 346515229 /nfs/dbraw/zinc/51/52/29/346515229.db2.gz YTGPILIQPHALJA-CYBMUJFWSA-N 2 0 261.369 1.012 10 0 CDAERP COCCC[N@@H+]1CCC[NH2+][C@@H](Cc2ccccc2)C1 ZINC000085608612 179100723 /nfs/dbraw/zinc/10/07/23/179100723.db2.gz ZTZWWPKOUPNRQU-INIZCTEOSA-N 2 0 262.397 1.930 10 0 CDAERP CC(C)=C=CC(C)(C)C[NH+]1CCN(CC[NH3+])CC1 ZINC000584620744 346501856 /nfs/dbraw/zinc/50/18/56/346501856.db2.gz VQCINEVRZAOLLS-UHFFFAOYSA-N 2 0 251.418 1.710 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCC[C@@H](O)C2)CC1(C)C ZINC000623429172 346593375 /nfs/dbraw/zinc/59/33/75/346593375.db2.gz PUZQFKSKTUELPR-MELADBBJSA-N 2 0 254.418 2.000 10 0 CDAERP CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086171843 179242907 /nfs/dbraw/zinc/24/29/07/179242907.db2.gz CVCDTZRGNBWOBC-RBSFLKMASA-N 2 0 253.434 1.647 10 0 CDAERP C[NH+](C)[C@@H](CNC1=[NH+]CCCN1)C1CCCCC1 ZINC000066245352 347479210 /nfs/dbraw/zinc/47/92/10/347479210.db2.gz JJJMJEFGQOJFTC-ZDUSSCGKSA-N 2 0 252.406 1.436 10 0 CDAERP CC(C)[C@@H]1C[NH2+][C@@H](C2CC2)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223110 179250499 /nfs/dbraw/zinc/25/04/99/179250499.db2.gz PHJMCIUNRPMKCF-BMFZPTHFSA-N 2 0 265.445 1.647 10 0 CDAERP CC[C@@H]1C[NH2+][C@H](C2CC2)CN1[C@@H]1CCC[N@H+](CC)C1 ZINC000086225406 179253577 /nfs/dbraw/zinc/25/35/77/179253577.db2.gz QPMNDYOUNFXHKG-OAGGEKHMSA-N 2 0 265.445 1.933 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)OCCO)CC1(C)C ZINC000623526848 347616368 /nfs/dbraw/zinc/61/63/68/347616368.db2.gz WZTGHRDFMQJYBZ-GFCCVEGCSA-N 2 0 258.406 1.236 10 0 CDAERP COC[C@@H](CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)OC ZINC000623563403 347634514 /nfs/dbraw/zinc/63/45/14/347634514.db2.gz XIRIJCYXHDXVQK-QWHCGFSZSA-N 2 0 258.406 1.500 10 0 CDAERP CCC[N@@H+]1CC[C@@H](N[C@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623572670 347639509 /nfs/dbraw/zinc/63/95/09/347639509.db2.gz JRFDPDMFQCHRIC-UONOGXRCSA-N 2 0 253.434 1.933 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)[C@H]2CCOC2)CC1(C)C ZINC000623511911 347610641 /nfs/dbraw/zinc/61/06/41/347610641.db2.gz LQVQXSZTKQTMOK-MJBXVCDLSA-N 2 0 270.417 1.094 10 0 CDAERP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](C)[C@H](C)CO)CC1 ZINC000450738941 362880322 /nfs/dbraw/zinc/88/03/22/362880322.db2.gz OZZLKEDGDOLGEH-CABCVRRESA-N 2 0 271.449 1.009 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000615603350 348609233 /nfs/dbraw/zinc/60/92/33/348609233.db2.gz ONKZWWJJDLRULE-GDBMZVCRSA-N 2 0 279.428 1.273 10 0 CDAERP C[C@@H]1C[NH2+]C[C@@H]1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000104220785 185934265 /nfs/dbraw/zinc/93/42/65/185934265.db2.gz UZNPCQAVNVUOTI-KFWWJZLASA-N 2 0 251.418 1.402 10 0 CDAERP CCC(C)(C)NC(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056524905 348818506 /nfs/dbraw/zinc/81/85/06/348818506.db2.gz BFLGNNNAXCZNLK-UHFFFAOYSA-N 2 0 283.460 1.955 10 0 CDAERP C[NH2+]C[C@@H](c1ccc(Cl)cc1)N1CC[NH+](C)CC1 ZINC000084170572 349221891 /nfs/dbraw/zinc/22/18/91/349221891.db2.gz BIKDKQOBJLEMAM-AWEZNQCLSA-N 2 0 267.804 1.848 10 0 CDAERP CC[NH+](CC)CCOC(=O)N1CC[NH+](C(C)C)CC1 ZINC000003599797 349238094 /nfs/dbraw/zinc/23/80/94/349238094.db2.gz XSUAHCGBDDNRGG-UHFFFAOYSA-N 2 0 271.405 1.491 10 0 CDAERP CC[C@@H]1CN(C(=O)[C@H](C)[NH2+]C(C)(C)CC)C[C@H](C)[NH2+]1 ZINC000620899710 350370963 /nfs/dbraw/zinc/37/09/63/350370963.db2.gz PVKKYTCPZMRIBF-RWMBFGLXSA-N 2 0 269.433 1.752 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000620969568 350388837 /nfs/dbraw/zinc/38/88/37/350388837.db2.gz CTFUWMLQINBIJU-HNNXBMFYSA-N 2 0 299.459 1.288 10 0 CDAERP CCN(Cc1ccccc1)C(=O)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107575805 186179894 /nfs/dbraw/zinc/17/98/94/186179894.db2.gz SPDAXJIPVSYPDL-IYBDPMFKSA-N 2 0 287.407 1.186 10 0 CDAERP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+](C)CCOCC[NH2+]C ZINC000629566275 363011785 /nfs/dbraw/zinc/01/17/85/363011785.db2.gz ISIYIKUGHBOYOL-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP CN(CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1)CC(F)F ZINC000623832226 351292823 /nfs/dbraw/zinc/29/28/23/351292823.db2.gz RQUDGWHYRONHQG-UHFFFAOYSA-N 2 0 295.337 1.554 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)[C@H]2CCCCO2)CC1 ZINC000623862999 351307769 /nfs/dbraw/zinc/30/77/69/351307769.db2.gz HGSNRFGVINVJSR-OWCLPIDISA-N 2 0 283.460 1.560 10 0 CDAERP Cn1cncc1CCC[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629594092 363113451 /nfs/dbraw/zinc/11/34/51/363113451.db2.gz KXPVRSGTJAOKAG-GASCZTMLSA-N 2 0 262.401 1.284 10 0 CDAERP Cc1nocc1C[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001660081776 1172155424 /nfs/dbraw/zinc/15/54/24/1172155424.db2.gz YBEJVOKLKQMVGZ-CQSZACIVSA-N 2 0 294.399 1.015 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634765377 358498644 /nfs/dbraw/zinc/49/86/44/358498644.db2.gz QMLMVNYMZDRYLI-YCPHGPKFSA-N 2 0 279.428 1.367 10 0 CDAERP COC[C@@H](C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)OC ZINC000659947414 412626896 /nfs/dbraw/zinc/62/68/96/412626896.db2.gz KXCRWKDBMACRQE-ZIAGYGMSSA-N 2 0 256.390 1.066 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000417815464 283169870 /nfs/dbraw/zinc/16/98/70/283169870.db2.gz OOTOQEQHBUHMMI-UONOGXRCSA-N 2 0 282.432 1.112 10 0 CDAERP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]([NH+](C)C)C1(C)C ZINC000636090605 363479750 /nfs/dbraw/zinc/47/97/50/363479750.db2.gz LLKJDLGCSNMSDQ-RYUDHWBXSA-N 2 0 255.406 1.173 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1[NH+](C)CCCC1(C)C ZINC000447962685 357054512 /nfs/dbraw/zinc/05/45/12/357054512.db2.gz LLTYXCWZDPCLSU-KBPBESRZSA-N 2 0 296.459 1.500 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cncc(OC)c1C ZINC000631087348 357444532 /nfs/dbraw/zinc/44/45/32/357444532.db2.gz UJPWUBXYEAVTGW-OAHLLOKOSA-N 2 0 295.427 1.845 10 0 CDAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCC(C)(C)[NH3+] ZINC000094460179 482789568 /nfs/dbraw/zinc/78/95/68/482789568.db2.gz AYGOWEMHJHKGQN-NWDGAFQWSA-N 2 0 253.390 1.199 10 0 CDAERP C[NH2+][C@H](C)C(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000388525082 358417166 /nfs/dbraw/zinc/41/71/66/358417166.db2.gz QWFDYXBYWWJJMM-ZBFHGGJFSA-N 2 0 289.423 1.717 10 0 CDAERP CCC[NH2+]CCNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000418469582 283386374 /nfs/dbraw/zinc/38/63/74/283386374.db2.gz ICIAWFGQXXGNRB-UHFFFAOYSA-N 2 0 296.459 1.503 10 0 CDAERP CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CC3(C)C)C2)CC1 ZINC000372730135 358668599 /nfs/dbraw/zinc/66/85/99/358668599.db2.gz XVQWIWCKCIVJQL-JSGCOSHPSA-N 2 0 279.428 1.317 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1COc2ccc(C)cc21 ZINC000516562360 366489346 /nfs/dbraw/zinc/48/93/46/366489346.db2.gz RFFLUJWQEJXDQH-GXTWGEPZSA-N 2 0 264.369 1.772 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccccc2CC[NH3+])C1 ZINC000070552578 358969641 /nfs/dbraw/zinc/96/96/41/358969641.db2.gz YFORVFPRIBQHDJ-CQSZACIVSA-N 2 0 289.423 1.648 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCC[NH2+]2)[C@@H](C)C1 ZINC000637001031 359114886 /nfs/dbraw/zinc/11/48/86/359114886.db2.gz FSTALQXJXIMZTR-ZNMIVQPWSA-N 2 0 296.459 1.500 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC000636156303 363645935 /nfs/dbraw/zinc/64/59/35/363645935.db2.gz OAQVLXKXQOMWMI-UONOGXRCSA-N 2 0 281.444 1.565 10 0 CDAERP CN(C(=O)CC[C@H]1CCCC[N@@H+]1C)C1CC([NH3+])C1 ZINC000572402267 359334518 /nfs/dbraw/zinc/33/45/18/359334518.db2.gz CRGOAXXNNIAGJE-OTTFEQOBSA-N 2 0 253.390 1.199 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCOc1ccc(F)cc1 ZINC000422945353 359691326 /nfs/dbraw/zinc/69/13/26/359691326.db2.gz UEVKFDNEHNQWOU-CYBMUJFWSA-N 2 0 270.348 1.548 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccnc(SC)c1 ZINC000422998995 359707754 /nfs/dbraw/zinc/70/77/54/359707754.db2.gz XJYUABPLZFDIPW-LBPRGKRZSA-N 2 0 269.414 1.647 10 0 CDAERP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H](CO)c1ccccc1 ZINC000423002661 359718128 /nfs/dbraw/zinc/71/81/28/359718128.db2.gz GMKRBHMKTGKMKE-KBMXLJTQSA-N 2 0 262.397 1.740 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CN[C@H](C)c2c[nH+]ccc2N)C1 ZINC000422972621 359729341 /nfs/dbraw/zinc/72/93/41/359729341.db2.gz MJFDBMCDKPTYMR-OLZOCXBDSA-N 2 0 262.401 1.877 10 0 CDAERP COCCCC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000117881261 359730362 /nfs/dbraw/zinc/73/03/62/359730362.db2.gz WKRRAMIMQNQZBH-MRXNPFEDSA-N 2 0 283.460 1.515 10 0 CDAERP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423514921 359835362 /nfs/dbraw/zinc/83/53/62/359835362.db2.gz UOLJYUJHBQDJGI-OTBWCIGPSA-N 3 0 294.487 1.181 10 0 CDAERP C[NH+](C)[C@H]1CCN(C(=O)[C@@](C)([NH3+])c2ccccc2)C1 ZINC000062972364 360037264 /nfs/dbraw/zinc/03/72/64/360037264.db2.gz OSQBIZHGLSDVBY-ZFWWWQNUSA-N 2 0 261.369 1.023 10 0 CDAERP C[C@@H]1C[N@H+](Cc2ccc3c(c2)ncn3C)C[C@@]1(C)C[NH3+] ZINC000335348886 359994385 /nfs/dbraw/zinc/99/43/85/359994385.db2.gz MKADUIYHGWMEAS-MLGOLLRUSA-N 2 0 272.396 1.990 10 0 CDAERP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)C[C@@H]1CC[NH2+]C1 ZINC000335426822 360165241 /nfs/dbraw/zinc/16/52/41/360165241.db2.gz BRUVZOJZGSTBDR-SWLSCSKDSA-N 2 0 273.380 1.071 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)NCC[NH+]2CCC2)CC1 ZINC000337614444 360291396 /nfs/dbraw/zinc/29/13/96/360291396.db2.gz BIBLAHVFKJMIDM-UHFFFAOYSA-N 2 0 282.432 1.113 10 0 CDAERP C[NH2+][C@H]1CCCN(C(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000417928470 361371023 /nfs/dbraw/zinc/37/10/23/361371023.db2.gz HIYURZIIMYLIBF-NRXISQOPSA-N 2 0 296.459 1.500 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1[NH2+]CC1(C)C)C1CCCCC1 ZINC000645774426 361388828 /nfs/dbraw/zinc/38/88/28/361388828.db2.gz ZQQYHWWMZNHGOU-ZDUSSCGKSA-N 2 0 267.417 1.365 10 0 CDAERP C[NH+](C)C1(CNC(=O)C2=CC[C@H]([NH3+])C2)CCCCC1 ZINC000637882297 366783672 /nfs/dbraw/zinc/78/36/72/366783672.db2.gz YINMXWLYHFECBI-ZDUSSCGKSA-N 2 0 265.401 1.415 10 0 CDAERP CC[NH+]1CCC(CC[NH2+]Cc2[nH]ncc2C)CC1 ZINC000352820466 363962970 /nfs/dbraw/zinc/96/29/70/363962970.db2.gz AUJQJRYCXHZGJS-UHFFFAOYSA-N 2 0 250.390 1.930 10 0 CDAERP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000644141865 363985020 /nfs/dbraw/zinc/98/50/20/363985020.db2.gz GWVTZPVYKAFMLB-CYDGBPFRSA-N 2 0 271.380 1.100 10 0 CDAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000644154033 364031089 /nfs/dbraw/zinc/03/10/89/364031089.db2.gz ODFGXWPDRJEYPN-ZFWWWQNUSA-N 2 0 289.423 1.621 10 0 CDAERP C[C@H]([NH2+]C1CC1)C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000566621514 370777412 /nfs/dbraw/zinc/77/74/12/370777412.db2.gz AWBWVWATHUBFLP-XHDPSFHLSA-N 2 0 273.380 1.212 10 0 CDAERP C[N@H+](CC(=O)NC[C@H]1CC[NH+]1C(C)(C)C)C1CCC1 ZINC000630015373 364435179 /nfs/dbraw/zinc/43/51/79/364435179.db2.gz DIQMOCHDLPEDQZ-CYBMUJFWSA-N 2 0 267.417 1.460 10 0 CDAERP CC(C)([NH3+])CCC(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000632862003 364540864 /nfs/dbraw/zinc/54/08/64/364540864.db2.gz QHHFWPJIXBXBQG-NWDGAFQWSA-N 2 0 253.390 1.104 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000300418075 364898479 /nfs/dbraw/zinc/89/84/79/364898479.db2.gz FQZDQDXFSGUEIV-JSGCOSHPSA-N 2 0 255.406 1.365 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000580209651 364901489 /nfs/dbraw/zinc/90/14/89/364901489.db2.gz DIEPTQCWKUWEHJ-MGPQQGTHSA-N 2 0 267.417 1.269 10 0 CDAERP COCC[C@H](COC)[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000353650511 365357520 /nfs/dbraw/zinc/35/75/20/365357520.db2.gz RCWONYQXNULUSN-SCRDCRAPSA-N 2 0 256.390 1.110 10 0 CDAERP Cc1nn(C)c(C)c1CC[NH2+][C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000415085265 241553199 /nfs/dbraw/zinc/55/31/99/241553199.db2.gz PSNPIVARIIPUEZ-RISCZKNCSA-N 2 0 264.417 1.700 10 0 CDAERP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627048361 367303492 /nfs/dbraw/zinc/30/34/92/367303492.db2.gz YRWQWCOIZOGOQM-SOUVJXGZSA-N 2 0 296.459 1.547 10 0 CDAERP C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCCCCC1 ZINC000357921874 367304758 /nfs/dbraw/zinc/30/47/58/367304758.db2.gz SKINCGBKARAFHN-GOEBONIOSA-N 2 0 293.455 1.946 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)NCC[C@@H]2CCC[N@H+](C)C2)C[NH2+]1 ZINC000627060196 367317425 /nfs/dbraw/zinc/31/74/25/367317425.db2.gz HHVYWZJRVIHGRW-HZSPNIEDSA-N 2 0 282.432 1.158 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000627092170 367425565 /nfs/dbraw/zinc/42/55/65/367425565.db2.gz NUYPZVDWVYVHHF-XDQVBPFNSA-N 2 0 282.432 1.191 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CC[NH+]2CCC1CC2 ZINC000358158944 367476694 /nfs/dbraw/zinc/47/66/94/367476694.db2.gz ILWIADPRFVVTKP-ZDUSSCGKSA-N 2 0 282.432 1.205 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000627116205 367479570 /nfs/dbraw/zinc/47/95/70/367479570.db2.gz XOGZDNIGUASZLX-GZBFAFLISA-N 2 0 294.443 1.443 10 0 CDAERP C[C@H](CCCC[NH3+])NC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627093966 367428622 /nfs/dbraw/zinc/42/86/22/367428622.db2.gz VYLZQQINIKAQQP-NEPJUHHUSA-N 2 0 268.405 1.088 10 0 CDAERP CCC[NH2+][C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1CC1 ZINC001661182971 1172349290 /nfs/dbraw/zinc/34/92/90/1172349290.db2.gz PKZUILONTGDPQJ-CHWSQXEVSA-N 2 0 255.406 1.221 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000627160097 367588632 /nfs/dbraw/zinc/58/86/32/367588632.db2.gz XGEGAHLCLRJIRX-LSDHHAIUSA-N 2 0 296.459 1.678 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000627161155 367591017 /nfs/dbraw/zinc/59/10/17/367591017.db2.gz QNNPKKVOSZTHAQ-LJISPDSOSA-N 2 0 294.443 1.395 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000627164640 367596335 /nfs/dbraw/zinc/59/63/35/367596335.db2.gz GGRDBXKOAYMEGY-LXTVHRRPSA-N 2 0 294.443 1.253 10 0 CDAERP CC1CC[NH+](CCNC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000417007162 242264035 /nfs/dbraw/zinc/26/40/35/242264035.db2.gz GTPFYURXMVNHML-KBPBESRZSA-N 2 0 282.432 1.016 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000417390140 242450623 /nfs/dbraw/zinc/45/06/23/242450623.db2.gz JRDMMHHWJGSMGQ-DZGCQCFKSA-N 2 0 296.459 1.548 10 0 CDAERP C[C@H]1CC[C@@H](NC(=O)N(C)CC[NH+]2CCCCC2)C[NH2+]1 ZINC000627209199 367707393 /nfs/dbraw/zinc/70/73/93/367707393.db2.gz DNZOUTBZQDRSFH-UONOGXRCSA-N 2 0 282.432 1.254 10 0 CDAERP OC[C@H]1CCC2(CCOCC2)C[N@@H+]1CCCn1ccnc1 ZINC000528635563 367926962 /nfs/dbraw/zinc/92/69/62/367926962.db2.gz AHDABODJQICSID-OAHLLOKOSA-N 2 0 293.411 1.527 10 0 CDAERP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NC[C@H]([NH3+])c2ccccc2)C1 ZINC000418446393 243087741 /nfs/dbraw/zinc/08/77/41/243087741.db2.gz IBVWDXGSFVDKFI-QEJZJMRPSA-N 2 0 290.411 1.455 10 0 CDAERP [NH3+]C[C@@H](NC(=O)NC[C@@H]([NH3+])c1ccccc1)C1CCCC1 ZINC000418449818 243091593 /nfs/dbraw/zinc/09/15/93/243091593.db2.gz KTNAQRJMOIFPBD-HUUCEWRRSA-N 2 0 290.411 1.503 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC[C@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000418545850 243200492 /nfs/dbraw/zinc/20/04/92/243200492.db2.gz GUXLUDZECMMIEK-RBSFLKMASA-N 2 0 296.459 1.500 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000418584486 243239886 /nfs/dbraw/zinc/23/98/86/243239886.db2.gz CCQUCESPDBEYDN-OLZOCXBDSA-N 2 0 282.432 1.110 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000418585639 243241034 /nfs/dbraw/zinc/24/10/34/243241034.db2.gz DNSCOABNDQCDSH-UKRRQHHQSA-N 2 0 296.459 1.500 10 0 CDAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638131481 368534607 /nfs/dbraw/zinc/53/46/07/368534607.db2.gz CBTFGBUMLLCICP-MJBXVCDLSA-N 2 0 263.385 1.119 10 0 CDAERP CCOCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001661307016 1172367168 /nfs/dbraw/zinc/36/71/68/1172367168.db2.gz MFMRDDMKJNOUND-LSDHHAIUSA-N 2 0 297.443 1.086 10 0 CDAERP CN(CCC(=O)NC[C@@H]1CCC[N@@H+]1C)c1cc[nH+]cc1 ZINC000540928336 368573654 /nfs/dbraw/zinc/57/36/54/368573654.db2.gz VYEIJKZUQXHDAN-AWEZNQCLSA-N 2 0 276.384 1.118 10 0 CDAERP CN(CCC(=O)NC[C@H](C1CC1)[NH+](C)C)c1cc[nH+]cc1 ZINC000543713574 368956804 /nfs/dbraw/zinc/95/68/04/368956804.db2.gz PKKXTYZEBXEALC-OAHLLOKOSA-N 2 0 290.411 1.364 10 0 CDAERP O=C([C@@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1)N1CCCC1 ZINC000420313596 244069843 /nfs/dbraw/zinc/06/98/43/244069843.db2.gz YDFXCRUJPBFTOC-HZPDHXFCSA-N 2 0 293.455 1.711 10 0 CDAERP CC[NH+]1CCC(C[NH2+]Cc2ncnn2C(C)C)CC1 ZINC000088590975 482958958 /nfs/dbraw/zinc/95/89/58/482958958.db2.gz STYPYVDPBISAHZ-UHFFFAOYSA-N 2 0 265.405 1.681 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C(N)=O)c2)[C@@H]2CCC[C@@H]21 ZINC000367622714 369201580 /nfs/dbraw/zinc/20/15/80/369201580.db2.gz VFJQZCYHVXLILB-JYJNAYRXSA-N 2 0 287.407 1.748 10 0 CDAERP COC(=O)COc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000414950675 370982347 /nfs/dbraw/zinc/98/23/47/370982347.db2.gz GGYFFUJHINIYEV-DOMZBBRYSA-N 2 0 292.379 1.326 10 0 CDAERP CC(C)C(=O)NCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000368609382 369535678 /nfs/dbraw/zinc/53/56/78/369535678.db2.gz XWWRFIIJLVTMLS-BFHYXJOUSA-N 2 0 267.417 1.221 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638405391 369807131 /nfs/dbraw/zinc/80/71/31/369807131.db2.gz ZCUANJZEKVWWBC-NEPJUHHUSA-N 2 0 251.374 1.023 10 0 CDAERP COC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCOCC1 ZINC000370478106 370065488 /nfs/dbraw/zinc/06/54/88/370065488.db2.gz SCSLZYHSERSEED-OAGGEKHMSA-N 2 0 282.428 1.644 10 0 CDAERP CCN(CC)C(=O)[C@H]1CCCN1CC[C@@H]1CCC[N@@H+]1C ZINC000119574288 370153497 /nfs/dbraw/zinc/15/34/97/370153497.db2.gz HWTHEUFEPARYFK-LSDHHAIUSA-N 2 0 281.444 1.804 10 0 CDAERP C[C@@H](CC[NH3+])NC(=O)NCC1([NH3+])CCCCCC1 ZINC000418282908 370452891 /nfs/dbraw/zinc/45/28/91/370452891.db2.gz IOMNFXXDKIGBRU-NSHDSACASA-N 2 0 256.394 1.075 10 0 CDAERP COc1cc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cc2c1OCCO2 ZINC000565480682 370457174 /nfs/dbraw/zinc/45/71/74/370457174.db2.gz HMDZKUMGUNFFAJ-WDEREUQCSA-N 2 0 280.368 1.682 10 0 CDAERP C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C[C@H]1CCC[N@@H+]1C ZINC000639877461 370497571 /nfs/dbraw/zinc/49/75/71/370497571.db2.gz IYWFTCODHBKRDG-HZPDHXFCSA-N 2 0 295.471 1.656 10 0 CDAERP [NH3+]CC1CCC([NH2+]Cc2ccccc2OCCO)CC1 ZINC000422783586 245252168 /nfs/dbraw/zinc/25/21/68/245252168.db2.gz NCRJYDXKWMAXMK-UHFFFAOYSA-N 2 0 278.396 1.665 10 0 CDAERP CSCC[C@H]([NH3+])C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000567826868 371161807 /nfs/dbraw/zinc/16/18/07/371161807.db2.gz UEWAGVGGMGOKLO-BPCQOVAHSA-N 2 0 285.457 1.200 10 0 CDAERP CN(C)c1ncccc1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000422866281 245351798 /nfs/dbraw/zinc/35/17/98/245351798.db2.gz QBMBCKCFDAPYTC-JSGCOSHPSA-N 2 0 262.401 1.755 10 0 CDAERP C[NH2+]C[C@@H]1CCCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000567834368 371165889 /nfs/dbraw/zinc/16/58/89/371165889.db2.gz RXVPCCBSDUUJGA-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP Cc1cc(CNC(=O)C[N@H+]2CC[C@@H](C)C2)cc(C)n1 ZINC000572661489 371269533 /nfs/dbraw/zinc/26/95/33/371269533.db2.gz KUYODQVAPPLXFC-LLVKDONJSA-N 2 0 261.369 1.656 10 0 CDAERP C[C@@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH+](C)C1CC1 ZINC000377944713 371760207 /nfs/dbraw/zinc/76/02/07/371760207.db2.gz OJVCCMWKBOKGSL-BLLLJJGKSA-N 2 0 299.434 1.798 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC000580580061 372037089 /nfs/dbraw/zinc/03/70/89/372037089.db2.gz BSILZQYKHLPDSV-HUUCEWRRSA-N 2 0 281.444 1.565 10 0 CDAERP C[NH2+]C[C@@H]1CCCN1C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000580644849 372053306 /nfs/dbraw/zinc/05/33/06/372053306.db2.gz YTGKVHGXCSQSJN-KBPBESRZSA-N 2 0 267.417 1.461 10 0 CDAERP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000581286977 372911551 /nfs/dbraw/zinc/91/15/51/372911551.db2.gz XHRMQURZUXHAJO-CQSZACIVSA-N 2 0 292.427 1.753 10 0 CDAERP C[C@@H](CC[NH+](C)C)NC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000341435500 373691518 /nfs/dbraw/zinc/69/15/18/373691518.db2.gz SIURAELHSYZRQF-SOUVJXGZSA-N 2 0 298.475 1.889 10 0 CDAERP N[C@@H]1CCCCC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000631834576 373739537 /nfs/dbraw/zinc/73/95/37/373739537.db2.gz AOMQPAGRXDXDAU-OAHLLOKOSA-N 2 0 253.434 1.970 10 0 CDAERP CC(C)[NH2+]CCN1CCCC[C@H]1CN1CCOCC1 ZINC000193451808 373751684 /nfs/dbraw/zinc/75/16/84/373751684.db2.gz MOIMSXCJCURZQA-HNNXBMFYSA-N 2 0 269.433 1.171 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000342468320 374226093 /nfs/dbraw/zinc/22/60/93/374226093.db2.gz SKNZKGWYNRBXBM-AEGPPILISA-N 2 0 279.428 1.460 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000418568898 374411598 /nfs/dbraw/zinc/41/15/98/374411598.db2.gz HNEQUMRAKSLRGL-IJEWVQPXSA-N 2 0 294.443 1.112 10 0 CDAERP CCO[C@H](C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)C1CC1 ZINC000631889221 374568387 /nfs/dbraw/zinc/56/83/87/374568387.db2.gz DLDHDHMYGZFFLT-SOUVJXGZSA-N 2 0 252.402 1.875 10 0 CDAERP O=C(C[NH+]1CCCCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000042242034 374819450 /nfs/dbraw/zinc/81/94/50/374819450.db2.gz ZJLOSRDMRQWZPG-UHFFFAOYSA-N 2 0 279.428 1.605 10 0 CDAERP COc1cncc(C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)c1C ZINC000631065771 374873417 /nfs/dbraw/zinc/87/34/17/374873417.db2.gz SRASLKFJDYQVQE-ZDUSSCGKSA-N 2 0 292.427 1.124 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000426788189 247065181 /nfs/dbraw/zinc/06/51/81/247065181.db2.gz LBYINCVHEHRNQD-INIZCTEOSA-N 2 0 293.455 1.851 10 0 CDAERP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000417082027 375724166 /nfs/dbraw/zinc/72/41/66/375724166.db2.gz ZXDHJIDLCQKLEF-MCIONIFRSA-N 2 0 292.427 1.007 10 0 CDAERP C(C[NH+]1CCCC1)C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000245621224 376117457 /nfs/dbraw/zinc/11/74/57/376117457.db2.gz NWDRRGQBMWAEGF-GJZGRUSLSA-N 2 0 252.402 1.973 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N2CCC(C[NH3+])CC2)CC1 ZINC000417393530 376346147 /nfs/dbraw/zinc/34/61/47/376346147.db2.gz QVHUGPXXBIGGNW-UHFFFAOYSA-N 2 0 296.459 1.489 10 0 CDAERP C[NH2+]CC1CC[NH+]([C@@H]2CCN(C3CCC3)C2=O)CC1 ZINC000631821687 376643576 /nfs/dbraw/zinc/64/35/76/376643576.db2.gz FYPSHXBNHHZQTF-CQSZACIVSA-N 2 0 265.401 1.071 10 0 CDAERP C[C@@H]1C[N@H+](Cc2ccc(-n3cccn3)cc2)C[C@@H]1C[NH3+] ZINC000631839619 376690971 /nfs/dbraw/zinc/69/09/71/376690971.db2.gz IPLODLTWIWNNSM-HIFRSBDPSA-N 2 0 270.380 1.899 10 0 CDAERP CNC(=O)c1ccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631888048 376781434 /nfs/dbraw/zinc/78/14/34/376781434.db2.gz SQWIFXPJLDGAEY-CVEARBPZSA-N 2 0 287.407 1.620 10 0 CDAERP Cc1nccn1CCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631890449 376785007 /nfs/dbraw/zinc/78/50/07/376785007.db2.gz PJKJGTBHLKBPRR-HUUCEWRRSA-N 2 0 262.401 1.656 10 0 CDAERP CC[NH+](CC)CCCNC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000416810657 284599787 /nfs/dbraw/zinc/59/97/87/284599787.db2.gz JDJHZHDSIAAEOW-CQSZACIVSA-N 2 0 284.448 1.407 10 0 CDAERP CC[NH+](CC)CCCNC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000416820700 284601843 /nfs/dbraw/zinc/60/18/43/284601843.db2.gz SQBKCOUEQLKZMQ-OLZOCXBDSA-N 2 0 270.421 1.016 10 0 CDAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cn(C)nc2C)C1 ZINC000246924423 377051919 /nfs/dbraw/zinc/05/19/19/377051919.db2.gz MWVRMRSKKMGGFA-YPMHNXCESA-N 2 0 250.390 1.721 10 0 CDAERP CC[NH+]1CCC(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000070576885 377039306 /nfs/dbraw/zinc/03/93/06/377039306.db2.gz HJMWAUZWSCQZBX-NWDGAFQWSA-N 2 0 253.390 1.104 10 0 CDAERP CCOCC[N@@H+]1CCN(CC[C@H]2CCC[NH+]2C)C[C@@H]1CC ZINC000248081235 377198732 /nfs/dbraw/zinc/19/87/32/377198732.db2.gz RWLZMFOJYNZHOE-DLBZAZTESA-N 2 0 297.487 1.903 10 0 CDAERP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000334747715 377268914 /nfs/dbraw/zinc/26/89/14/377268914.db2.gz JXERUCIHPOPFNQ-UONOGXRCSA-N 2 0 279.428 1.223 10 0 CDAERP CCCCOC[C@H](O)C[N@@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000248653791 377298136 /nfs/dbraw/zinc/29/81/36/377298136.db2.gz OTQCFBHOGCMVLQ-OAGGEKHMSA-N 2 0 295.427 1.944 10 0 CDAERP C[C@@H]1CCN(C(=O)c2ccc(C[NH3+])cc2)C[C@H]1C[NH3+] ZINC000334961868 377737040 /nfs/dbraw/zinc/73/70/40/377737040.db2.gz OTVGZRWDWZWLQG-BXUZGUMPSA-N 2 0 261.369 1.202 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000417606107 378122451 /nfs/dbraw/zinc/12/24/51/378122451.db2.gz CXOVGOSEGZTRRE-OKILXGFUSA-N 2 0 282.432 1.254 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000193305447 378289742 /nfs/dbraw/zinc/28/97/42/378289742.db2.gz UZRZYTIGRXSWCZ-CHWSQXEVSA-N 2 0 253.390 1.201 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000358852337 284722714 /nfs/dbraw/zinc/72/27/14/284722714.db2.gz GOYABASWFZJOHQ-SWLSCSKDSA-N 2 0 295.402 1.715 10 0 CDAERP C[C@H]1CCC[N@H+](CCNC(=O)N2CC[NH+]3CCC2CC3)C1 ZINC000334531175 378893864 /nfs/dbraw/zinc/89/38/64/378893864.db2.gz FMHGURRYHBVZQE-AWEZNQCLSA-N 2 0 294.443 1.208 10 0 CDAERP Cc1ccc(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)nc1 ZINC000657572933 412904071 /nfs/dbraw/zinc/90/40/71/412904071.db2.gz GIDKJUNXHMBWDR-HNNXBMFYSA-N 2 0 278.444 1.752 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cc[nH]c1 ZINC000657573389 412904389 /nfs/dbraw/zinc/90/43/89/412904389.db2.gz LBFRGUZXRFTQTE-ZDUSSCGKSA-N 2 0 252.406 1.376 10 0 CDAERP CCN1CCN(C(=O)[C@H](C)[N@H+](C)C[C@H]2CC=CCC2)CC1 ZINC000344094661 379159857 /nfs/dbraw/zinc/15/98/57/379159857.db2.gz VZPKSLKRSRVQQB-HOTGVXAUSA-N 2 0 293.455 1.827 10 0 CDAERP CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000657580173 412909619 /nfs/dbraw/zinc/90/96/19/412909619.db2.gz YUOUWHPSIZMWKB-VIQHNZTISA-N 2 0 296.455 1.769 10 0 CDAERP CCN(C(=O)N[C@@H](C)CC[NH+](C)C)[C@@H]1CC[N@H+](C)C1 ZINC000663850287 412911452 /nfs/dbraw/zinc/91/14/52/412911452.db2.gz REKLIDLMANSEHV-QWHCGFSZSA-N 2 0 270.421 1.062 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000246012766 379376567 /nfs/dbraw/zinc/37/65/67/379376567.db2.gz KXBNJOUURAABHC-ZIAGYGMSSA-N 2 0 282.432 1.064 10 0 CDAERP C[C@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)C(C)(C)C[NH+](C)C ZINC000655919572 412929189 /nfs/dbraw/zinc/92/91/89/412929189.db2.gz HRZNJFDHDHIAJM-IUCAKERBSA-N 2 0 298.353 1.152 10 0 CDAERP COCCC[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001662878401 1172607498 /nfs/dbraw/zinc/60/74/98/1172607498.db2.gz NGPCEENIIFXPEQ-OAHLLOKOSA-N 2 0 299.459 1.286 10 0 CDAERP CC1(C)CC(NC(=O)C2CCC([NH3+])CC2)CC(C)(C)[NH2+]1 ZINC000040810445 184549277 /nfs/dbraw/zinc/54/92/77/184549277.db2.gz KBMJTIHHVGSYOC-UHFFFAOYSA-N 2 0 281.444 1.929 10 0 CDAERP COCCOCCCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353495195 285088776 /nfs/dbraw/zinc/08/87/76/285088776.db2.gz GZYICIMNNCDKGH-OAGGEKHMSA-N 2 0 284.444 1.892 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000655970633 412983005 /nfs/dbraw/zinc/98/30/05/412983005.db2.gz WARKAFWKVULFPM-VQJWOFKYSA-N 2 0 294.443 1.014 10 0 CDAERP CC(C)[NH2+]CC(=O)NCC[N@H+](C)C1CCCCC1 ZINC000662414556 412985535 /nfs/dbraw/zinc/98/55/35/412985535.db2.gz AZMZNJFXMSEDGM-UHFFFAOYSA-N 2 0 255.406 1.365 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)NC[C@@H](C)[NH+](C)C1CC1 ZINC000663999902 413008511 /nfs/dbraw/zinc/00/85/11/413008511.db2.gz VABYMTVEXXYXPI-CYBMUJFWSA-N 2 0 298.475 1.889 10 0 CDAERP OCCCC[NH+]1CCCC2(CCC[N@@H+](CCCCO)C2)C1 ZINC000368245593 285252629 /nfs/dbraw/zinc/25/26/29/285252629.db2.gz VNWUYYYOFMEKSN-UHFFFAOYSA-N 2 0 298.471 1.709 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)NCCC1(C[NH3+])CC1 ZINC000653349118 413021693 /nfs/dbraw/zinc/02/16/93/413021693.db2.gz ARWYOECLDIYLQA-CYBMUJFWSA-N 2 0 267.417 1.496 10 0 CDAERP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648132332 390161928 /nfs/dbraw/zinc/16/19/28/390161928.db2.gz BQXHGROHJOSLTN-WQAKAFBOSA-N 2 0 275.327 1.160 10 0 CDAERP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)[C@@H](C)[NH3+])o1 ZINC000647067942 390386589 /nfs/dbraw/zinc/38/65/89/390386589.db2.gz DQXGVNCPFGOXJC-MNOVXSKESA-N 2 0 267.373 1.587 10 0 CDAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCC(=O)N(C)C1 ZINC000093516661 390668949 /nfs/dbraw/zinc/66/89/49/390668949.db2.gz HAKZDXWMDOCETL-HZSPNIEDSA-N 2 0 267.417 1.508 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(C[NH3+])cc1 ZINC000237678509 390867454 /nfs/dbraw/zinc/86/74/54/390867454.db2.gz MQCIBFMKJASJFS-CYBMUJFWSA-N 2 0 275.396 1.750 10 0 CDAERP CC[NH+]1CCC(CC[NH2+]Cc2cncnc2OC)CC1 ZINC000647187123 390835602 /nfs/dbraw/zinc/83/56/02/390835602.db2.gz DJPVOFJTFAJDPF-UHFFFAOYSA-N 2 0 278.400 1.697 10 0 CDAERP C[C@H]1CCC[C@](CNC(=O)[C@@H]2CCC[NH2+]C2)([NH+](C)C)C1 ZINC000040670470 390839769 /nfs/dbraw/zinc/83/97/69/390839769.db2.gz KPJOARUZGUZNEI-LZWOXQAQSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000181124782 390913835 /nfs/dbraw/zinc/91/38/35/390913835.db2.gz ISUJOEVOLFKLHD-HOTGVXAUSA-N 2 0 283.460 1.512 10 0 CDAERP C[NH2+][C@H](C)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000323465735 390957506 /nfs/dbraw/zinc/95/75/06/390957506.db2.gz DLSCRXFNTZIPHI-CQSZACIVSA-N 2 0 275.396 1.329 10 0 CDAERP C[NH2+][C@H]1CCCN(C(=O)NCc2nccn2CC(C)C)C1 ZINC000417729403 390989680 /nfs/dbraw/zinc/98/96/80/390989680.db2.gz CFMHCUJKNDWIJH-ZDUSSCGKSA-N 2 0 293.415 1.433 10 0 CDAERP C[C@H]1[C@@H](C)[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@H]1C ZINC000419369022 391064941 /nfs/dbraw/zinc/06/49/41/391064941.db2.gz GUHVYWNZYBBMPV-MGPQQGTHSA-N 2 0 293.455 1.706 10 0 CDAERP [NH3+]CCCNC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418306421 391293974 /nfs/dbraw/zinc/29/39/74/391293974.db2.gz BCNUPENTQLGSBK-HNNXBMFYSA-N 2 0 286.379 1.488 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000417856094 391512399 /nfs/dbraw/zinc/51/23/99/391512399.db2.gz RUHSIKMKSZEYEX-GVXVVHGQSA-N 2 0 263.385 1.565 10 0 CDAERP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000417848965 391518232 /nfs/dbraw/zinc/51/82/32/391518232.db2.gz WCEVHYVIQUJFNI-TYNCELHUSA-N 2 0 269.433 1.454 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H](N[C@@H]2C[NH+](C)C[C@H]2C)[C@H](C)C1 ZINC000358375003 391550074 /nfs/dbraw/zinc/55/00/74/391550074.db2.gz GOEJTOSVGXMUDQ-WCXIOVBPSA-N 2 0 297.487 1.663 10 0 CDAERP CC(C)[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)C[C@H]1C ZINC000263266474 391620014 /nfs/dbraw/zinc/62/00/14/391620014.db2.gz RQBSFPSMKMGNEI-QTVXIADOSA-N 2 0 254.418 1.617 10 0 CDAERP CC(C)[C@H]([NH3+])CNC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000417532716 391639601 /nfs/dbraw/zinc/63/96/01/391639601.db2.gz LPAFORUUNCGCMB-MGPQQGTHSA-N 2 0 284.448 1.532 10 0 CDAERP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCC[NH3+])C1 ZINC000417588481 391684850 /nfs/dbraw/zinc/68/48/50/391684850.db2.gz UIHVBGRMVSWZBA-CYBMUJFWSA-N 2 0 284.448 1.535 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000417665763 391727244 /nfs/dbraw/zinc/72/72/44/391727244.db2.gz ZSNNALDFKULGJO-QWRGUYRKSA-N 2 0 296.390 1.422 10 0 CDAERP COc1cc(C)c(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)c(C)n1 ZINC000415028677 391729254 /nfs/dbraw/zinc/72/92/54/391729254.db2.gz CYSISAWFZDJDTH-OLZOCXBDSA-N 2 0 263.385 1.924 10 0 CDAERP C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccncc2)C[C@@]1(C)C[NH3+] ZINC000415056484 391738226 /nfs/dbraw/zinc/73/82/26/391738226.db2.gz QPWVQQUDFZJAIJ-CXAGYDPISA-N 2 0 299.422 1.899 10 0 CDAERP CN(C(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1)C1CCCCC1 ZINC000336127053 391858407 /nfs/dbraw/zinc/85/84/07/391858407.db2.gz GVGUWZXXVHZIHJ-UHFFFAOYSA-N 2 0 293.455 1.853 10 0 CDAERP C[C@@H]1[C@H](C(=O)NC2CCC(C[NH+](C)C)CC2)CC[N@@H+]1C ZINC000648837545 392012149 /nfs/dbraw/zinc/01/21/49/392012149.db2.gz WXKAMMLPZYAIEM-XSCHDIRWSA-N 2 0 281.444 1.563 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CC[NH+](CC2(C(=O)OC)CC2)C1 ZINC000448518717 392210872 /nfs/dbraw/zinc/21/08/72/392210872.db2.gz GHHHJFQQGHXYJQ-ZDUSSCGKSA-N 2 0 268.401 1.603 10 0 CDAERP COC(=O)C1(C[NH+]2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000448521449 392212375 /nfs/dbraw/zinc/21/23/75/392212375.db2.gz RERBFEJACHGPNU-UHFFFAOYSA-N 2 0 280.412 1.747 10 0 CDAERP C[C@H](NCC[N@H+](C)C1CCCCC1)[C@H]1CCC[NH2+]1 ZINC000422701799 392251400 /nfs/dbraw/zinc/25/14/00/392251400.db2.gz JJWUBDOLGZDXLV-DZGCQCFKSA-N 2 0 253.434 1.981 10 0 CDAERP [NH3+]CCCCC(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000567909037 392290342 /nfs/dbraw/zinc/29/03/42/392290342.db2.gz YPHAYOKTASRLRW-STQMWFEESA-N 2 0 253.390 1.106 10 0 CDAERP CC(C)[C@H]1C[NH2+]CCN1C(=O)NCC1([NH3+])CCCCCC1 ZINC000529330454 392332455 /nfs/dbraw/zinc/33/24/55/392332455.db2.gz PMYVOEWYSMDJTK-CQSZACIVSA-N 2 0 296.459 1.678 10 0 CDAERP CCCN1CCC[C@H]1C[NH2+][C@@H](CCC[NH3+])COC ZINC000423111207 392353683 /nfs/dbraw/zinc/35/36/83/392353683.db2.gz QGLYUZKCOFPQEF-KBPBESRZSA-N 2 0 257.422 1.204 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@]1(CO)C[C@@H]1c1ccccc1 ZINC000423131173 392370120 /nfs/dbraw/zinc/37/01/20/392370120.db2.gz ZMNIMKCWFNPCDJ-BBWFWOEESA-N 2 0 292.423 1.496 10 0 CDAERP CC[C@@](C)(O)C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000444603436 392414262 /nfs/dbraw/zinc/41/42/62/392414262.db2.gz TVISMGLGKGDRKJ-LSDHHAIUSA-N 2 0 254.418 1.811 10 0 CDAERP [NH3+]CCC[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000423184456 392424691 /nfs/dbraw/zinc/42/46/91/392424691.db2.gz TWTMRJCRVAWQJO-UHFFFAOYSA-N 2 0 269.339 1.872 10 0 CDAERP C[C@@H]1C[N@H+](C)C[C@H]1NCCC[NH2+]Cc1cccnc1 ZINC000423185605 392425615 /nfs/dbraw/zinc/42/56/15/392425615.db2.gz JTKLPEHMSAGSSK-UKRRQHHQSA-N 2 0 262.401 1.101 10 0 CDAERP C[C@@H](NCCC[NH2+]Cc1cccnc1)[C@H]1CCC[NH2+]1 ZINC000423189510 392428988 /nfs/dbraw/zinc/42/89/88/392428988.db2.gz POURQEXACROLAC-UKRRQHHQSA-N 2 0 262.401 1.291 10 0 CDAERP C[NH2+]CCCN[C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000423198232 392434987 /nfs/dbraw/zinc/43/49/87/392434987.db2.gz DTYRKFZSHMRLCW-HZPDHXFCSA-N 2 0 277.412 1.687 10 0 CDAERP C[NH2+]CCN[C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000423253429 392472555 /nfs/dbraw/zinc/47/25/55/392472555.db2.gz ZBCSDVFJEIJERN-GJZGRUSLSA-N 2 0 263.385 1.297 10 0 CDAERP [NH3+][C@H](C[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1)C1CC1 ZINC000423327361 392516431 /nfs/dbraw/zinc/51/64/31/392516431.db2.gz RJNRMJRAPYVXGT-KBUPBQIOSA-N 2 0 252.402 1.909 10 0 CDAERP C[NH2+]Cc1cccc(NC(=O)COC2CCC([NH3+])CC2)c1 ZINC000646626450 392601058 /nfs/dbraw/zinc/60/10/58/392601058.db2.gz ZGIKMBUIGDCXIU-UHFFFAOYSA-N 2 0 291.395 1.631 10 0 CDAERP Cc1cnc(C[NH2+]CCCC[NH+]2CCOCC2)s1 ZINC000449082696 392632503 /nfs/dbraw/zinc/63/25/03/392632503.db2.gz PDCCCPCQUQKWIS-UHFFFAOYSA-N 2 0 269.414 1.654 10 0 CDAERP C[C@H](Cc1ccoc1)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000449127817 392661414 /nfs/dbraw/zinc/66/14/14/392661414.db2.gz XVVJTAUFNJGBFS-KGLIPLIRSA-N 2 0 265.401 1.436 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000649132702 392831251 /nfs/dbraw/zinc/83/12/51/392831251.db2.gz LKZLVWOTGQZQRO-UHFFFAOYSA-N 2 0 297.443 1.042 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000521070830 392926227 /nfs/dbraw/zinc/92/62/27/392926227.db2.gz LZGQLSNYCWWMLO-YNEHKIRRSA-N 2 0 270.421 1.142 10 0 CDAERP CC(=O)[C@@](C)(O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000649245826 393176541 /nfs/dbraw/zinc/17/65/41/393176541.db2.gz GBFMVJVTENIDKT-KRWDZBQOSA-N 2 0 296.455 1.914 10 0 CDAERP C[C@@H](Cn1cccn1)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000459663007 393290577 /nfs/dbraw/zinc/29/05/77/393290577.db2.gz WEJKAHPNIUGXAV-LBPRGKRZSA-N 2 0 255.325 1.709 10 0 CDAERP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000645953357 393429985 /nfs/dbraw/zinc/42/99/85/393429985.db2.gz QPNRKJKSGTYUIM-HRCADAONSA-N 2 0 293.455 1.885 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@H](O)Cc2ccccc2)C1 ZINC000656153251 413061268 /nfs/dbraw/zinc/06/12/68/413061268.db2.gz IHQDOJSYFDXHHZ-OWCLPIDISA-N 2 0 262.397 1.520 10 0 CDAERP CCOC(=O)c1nn(C)cc1CNC[C@H]1CC[N@H+](CC)C1 ZINC000186312345 140058417 /nfs/dbraw/zinc/05/84/17/140058417.db2.gz HIUZMVBTPMJTFH-GFCCVEGCSA-N 2 0 294.399 1.028 10 0 CDAERP CSC[C@H](O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000187744466 140083348 /nfs/dbraw/zinc/08/33/48/140083348.db2.gz WDKZQDBNISJFHA-CQSZACIVSA-N 2 0 272.458 1.518 10 0 CDAERP [NH3+][C@H]1CC[C@@H](C(=O)NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000188705712 140100444 /nfs/dbraw/zinc/10/04/44/140100444.db2.gz WQPGOADLSLYVAC-RISCZKNCSA-N 2 0 259.353 1.033 10 0 CDAERP CC[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000189011758 140106618 /nfs/dbraw/zinc/10/66/18/140106618.db2.gz PMEUIAYXURBLKT-SWHYSGLUSA-N 2 0 297.349 1.264 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000222041342 140171052 /nfs/dbraw/zinc/17/10/52/140171052.db2.gz SOIKINSOKOHOAY-KBPBESRZSA-N 2 0 269.433 1.742 10 0 CDAERP C[C@H](C[NH3+])C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261553959 140345928 /nfs/dbraw/zinc/34/59/28/140345928.db2.gz SYOLBMZLMLJZFZ-UKRRQHHQSA-N 2 0 275.396 1.314 10 0 CDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000261554186 140346338 /nfs/dbraw/zinc/34/63/38/140346338.db2.gz UAWUPIMFQXSZGW-KGLIPLIRSA-N 2 0 289.423 1.479 10 0 CDAERP CC1(C)C[N@H+](Cc2ccc(C(N)=O)cc2)CC[C@H]1[NH3+] ZINC000261565359 140349724 /nfs/dbraw/zinc/34/97/24/140349724.db2.gz FJTSLZZIQOJFDQ-CYBMUJFWSA-N 2 0 261.369 1.345 10 0 CDAERP Cc1ccc(C[NH+](C)C)cc1NC(=O)C1([NH3+])CCOCC1 ZINC000261765775 140387037 /nfs/dbraw/zinc/38/70/37/140387037.db2.gz GFIMZLYGFBZQFR-UHFFFAOYSA-N 2 0 291.395 1.503 10 0 CDAERP [NH3+]CC1(CCNC(=O)C[C@@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662582108 413150306 /nfs/dbraw/zinc/15/03/06/413150306.db2.gz LYXVPRYRSYPHKA-AWEZNQCLSA-N 2 0 273.380 1.466 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)C[C@H]([NH3+])C(C)C)CC1 ZINC000136408269 483402540 /nfs/dbraw/zinc/40/25/40/483402540.db2.gz LXXFEUPICCQXFZ-HNNXBMFYSA-N 2 0 283.460 1.940 10 0 CDAERP COC[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)C1CC1 ZINC000658067948 413166966 /nfs/dbraw/zinc/16/69/66/413166966.db2.gz SOTWULBFHXGYGI-KRWDZBQOSA-N 2 0 296.455 1.892 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000654350822 413173896 /nfs/dbraw/zinc/17/38/96/413173896.db2.gz RFBLRCLBDSMEQM-OTVXOJSOSA-N 2 0 296.459 1.499 10 0 CDAERP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H]1CCOC1 ZINC000658074985 413174061 /nfs/dbraw/zinc/17/40/61/413174061.db2.gz GBRNHQUHPQEWMG-XJFOESAGSA-N 2 0 256.390 1.110 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](OC)[C@@H]2CCOC2)[C@H](C)C1 ZINC000658074245 413173094 /nfs/dbraw/zinc/17/30/94/413173094.db2.gz SAEZBNFFPDXYEJ-KBXIAJHMSA-N 2 0 270.417 1.358 10 0 CDAERP CN(CC1CC[NH+](C)CC1)C(=O)CC[C@H]1CCC[NH2+]1 ZINC000382068659 397791362 /nfs/dbraw/zinc/79/13/62/397791362.db2.gz ZFKOAPSWMVEVQX-CQSZACIVSA-N 2 0 267.417 1.319 10 0 CDAERP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)o1 ZINC000647001064 397804942 /nfs/dbraw/zinc/80/49/42/397804942.db2.gz BXDBUMOOSYLTAI-GXTWGEPZSA-N 2 0 293.411 1.849 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)NC[C@H](C)[NH+](C)C ZINC000651137580 397845852 /nfs/dbraw/zinc/84/58/52/397845852.db2.gz GWCVMQJIAQKLAB-ZDUSSCGKSA-N 2 0 272.437 1.214 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000036192230 397990483 /nfs/dbraw/zinc/99/04/83/397990483.db2.gz HHMACCJYSMKMEJ-OAHLLOKOSA-N 2 0 275.396 1.109 10 0 CDAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000394340603 398126942 /nfs/dbraw/zinc/12/69/42/398126942.db2.gz GJERASLGNAEHJD-KBXIAJHMSA-N 2 0 279.428 1.447 10 0 CDAERP CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000105124952 147213636 /nfs/dbraw/zinc/21/36/36/147213636.db2.gz OVLSNDPHVQEAQA-KBPBESRZSA-N 2 0 284.448 1.452 10 0 CDAERP CCCC[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000105846200 147231878 /nfs/dbraw/zinc/23/18/78/147231878.db2.gz AYGIMOOYAAAJGS-MRXNPFEDSA-N 2 0 283.460 1.513 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(C)CC[NH+](C)C ZINC000176227048 148028998 /nfs/dbraw/zinc/02/89/98/148028998.db2.gz JOXPRHPORROIAL-ZDUSSCGKSA-N 2 0 272.437 1.166 10 0 CDAERP C[C@H](CC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000178815894 148090338 /nfs/dbraw/zinc/09/03/38/148090338.db2.gz RJUURVVPYHKLGT-YCPHGPKFSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@@H](F)CC[NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001664186708 1172821564 /nfs/dbraw/zinc/82/15/64/1172821564.db2.gz RKHDEQKDLPXWCY-QWHCGFSZSA-N 2 0 273.396 1.124 10 0 CDAERP Cc1ccc(O)c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)n1 ZINC000262023659 149003371 /nfs/dbraw/zinc/00/33/71/149003371.db2.gz NJCHBKDIPFXXGG-UHFFFAOYSA-N 2 0 261.369 1.671 10 0 CDAERP [NH3+]CCOc1ccc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000262286953 149047181 /nfs/dbraw/zinc/04/71/81/149047181.db2.gz MRKGNMRXZWQOEM-GHMZBOCLSA-N 2 0 263.341 1.090 10 0 CDAERP CCc1nc(C[NH2+][C@@H](CCC[NH3+])COC)cs1 ZINC000328082376 149265294 /nfs/dbraw/zinc/26/52/94/149265294.db2.gz DHOBLDSWDGYHAC-JTQLQIEISA-N 2 0 257.403 1.549 10 0 CDAERP C[C@H](CC(=O)N1CC[NH+]2CCC1CC2)C1CC[NH2+]CC1 ZINC000335040631 150217632 /nfs/dbraw/zinc/21/76/32/150217632.db2.gz YLMMOYQGTAKYHC-CYBMUJFWSA-N 2 0 279.428 1.319 10 0 CDAERP CCO[C@@H]1CCCC[C@H]1[NH2+][C@H](CCC[NH3+])COC ZINC000423165439 286206563 /nfs/dbraw/zinc/20/65/63/286206563.db2.gz QAMIKZWQPXOQPT-MGPQQGTHSA-N 2 0 258.406 1.678 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000336819341 151724881 /nfs/dbraw/zinc/72/48/81/151724881.db2.gz ZISIWIIYIBTSEO-QWHCGFSZSA-N 2 0 264.369 1.934 10 0 CDAERP C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000343548832 152220331 /nfs/dbraw/zinc/22/03/31/152220331.db2.gz BDBMWFJEGWJHOQ-YOEHRIQHSA-N 2 0 291.439 1.667 10 0 CDAERP C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CCC3(CC[NH2+]C3)CC2)C1 ZINC000334938150 289318812 /nfs/dbraw/zinc/31/88/12/289318812.db2.gz QQLNJKCNIBVMBR-ZIAGYGMSSA-N 2 0 294.443 1.254 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](CC(=O)N(C)CC2CC2)CC1 ZINC000343562464 152225504 /nfs/dbraw/zinc/22/55/04/152225504.db2.gz GEIDOOXJAIASOJ-UHFFFAOYSA-N 2 0 295.471 1.909 10 0 CDAERP C[C@@H]1C[N@H+](C[C@@H](O)C(C)(C)C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343694644 152269250 /nfs/dbraw/zinc/26/92/50/152269250.db2.gz RHCHJPOULWLKJJ-BZUAXINKSA-N 2 0 297.487 1.351 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCOC2)[C@@H](C)C1 ZINC000343956702 152369831 /nfs/dbraw/zinc/36/98/31/152369831.db2.gz ATMHQAPTEMDDAN-JYJNAYRXSA-N 2 0 284.444 1.892 10 0 CDAERP C[C@@H]1CO[C@@H](CO)CN1Cc1cc(-n2ccnc2)cs1 ZINC000346162420 153078579 /nfs/dbraw/zinc/07/85/79/153078579.db2.gz GJHUMIHWGZQXAQ-DGCLKSJQSA-N 2 0 293.392 1.515 10 0 CDAERP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000133730077 413272548 /nfs/dbraw/zinc/27/25/48/413272548.db2.gz CIGTUKJPQLHAIV-PWSUYJOCSA-N 2 0 274.368 1.649 10 0 CDAERP CC(C)NC(=O)CC[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000350092710 154326377 /nfs/dbraw/zinc/32/63/77/154326377.db2.gz STYVPIJZCSWYEZ-HNNXBMFYSA-N 2 0 281.444 1.565 10 0 CDAERP C[NH+](C)C1(CNC(=O)[C@H]2CCC[C@@H]2C[NH3+])CCCC1 ZINC000125736237 413302960 /nfs/dbraw/zinc/30/29/60/413302960.db2.gz YSBDFIZNFMSQBY-OLZOCXBDSA-N 2 0 267.417 1.352 10 0 CDAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CC2([NH3+])CC2)C1 ZINC000662696752 413332236 /nfs/dbraw/zinc/33/22/36/413332236.db2.gz UBJUDQIVKFBZTA-HIFRSBDPSA-N 2 0 287.407 1.820 10 0 CDAERP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654487359 413349109 /nfs/dbraw/zinc/34/91/09/413349109.db2.gz HJAOYRNDCODSIT-DDHJSBNISA-N 2 0 294.443 1.109 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000662730593 413395498 /nfs/dbraw/zinc/39/54/98/413395498.db2.gz KNRCPEYKSMCXEJ-YRGRVCCFSA-N 2 0 255.406 1.384 10 0 CDAERP CCO[C@@H](CC[NH+](C)C)CNC(=O)CC1CC[NH+](C)CC1 ZINC000362936606 159271892 /nfs/dbraw/zinc/27/18/92/159271892.db2.gz WNLJNWMBCHATCC-HNNXBMFYSA-N 2 0 299.459 1.191 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCC2([NH+](C)C)CCC2)C1 ZINC000654539209 413407905 /nfs/dbraw/zinc/40/79/05/413407905.db2.gz BVDIAEQGJWBVFT-BETUJISGSA-N 2 0 282.432 1.110 10 0 CDAERP O[C@H]1C[NH+](CCCCC[N@H+]2C[C@H](O)C3(CC3)C2)CC12CC2 ZINC000372289484 160101491 /nfs/dbraw/zinc/10/14/91/160101491.db2.gz PHVSPPYABYMOCW-GJZGRUSLSA-N 2 0 294.439 1.070 10 0 CDAERP C[C@H]1C[C@H](N(C)C(=O)C2([NH2+]C3CC3)CCC2)CC[N@@H+]1C ZINC000662746644 413420749 /nfs/dbraw/zinc/42/07/49/413420749.db2.gz VLLJTEMAPFVLFZ-GXTWGEPZSA-N 2 0 279.428 1.602 10 0 CDAERP C[C@H](CNC(=O)CC[C@H](C)[NH3+])C[NH+]1CCCCC1 ZINC000070317086 298687047 /nfs/dbraw/zinc/68/70/47/298687047.db2.gz CQJZWFBCMCCWMD-OLZOCXBDSA-N 2 0 255.406 1.352 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000019438303 170800965 /nfs/dbraw/zinc/80/09/65/170800965.db2.gz NSMTZHLJPVDKBQ-ILXRZTDVSA-N 2 0 281.444 1.755 10 0 CDAERP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)C(=O)NC1CC1 ZINC000020308966 171143297 /nfs/dbraw/zinc/14/32/97/171143297.db2.gz YLTNZOLDEGYTRV-QWHCGFSZSA-N 2 0 269.433 1.754 10 0 CDAERP CN([C@H](C[NH3+])c1c(F)cccc1F)C1CC[NH+](C)CC1 ZINC000022163808 171365201 /nfs/dbraw/zinc/36/52/01/171365201.db2.gz VPMUSTVZOHHBSA-CQSZACIVSA-N 2 0 283.366 1.991 10 0 CDAERP CCC[N@H+](C)CC(=O)NCc1ccccc1C[NH2+]C ZINC000653214266 412142319 /nfs/dbraw/zinc/14/23/19/412142319.db2.gz NLQVSWWIKMYHLY-UHFFFAOYSA-N 2 0 263.385 1.364 10 0 CDAERP C[C@H](C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)C1CCCCC1 ZINC000663370255 412128112 /nfs/dbraw/zinc/12/81/12/412128112.db2.gz OBOKIVGGTVQYOP-WBVHZDCISA-N 2 0 297.487 1.401 10 0 CDAERP CCO[C@@H]1CN(C(=O)c2ccc([C@@H](C)[NH3+])cc2)C[C@H]1C[NH3+] ZINC000653248169 412175312 /nfs/dbraw/zinc/17/53/12/412175312.db2.gz GQMKYBDGOGPEBD-KCPJHIHWSA-N 2 0 291.395 1.142 10 0 CDAERP [NH3+]CC1(CCNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000653215402 412143832 /nfs/dbraw/zinc/14/38/32/412143832.db2.gz SYLDWVQHBHWXLM-XQQFMLRXSA-N 2 0 265.401 1.152 10 0 CDAERP CC1(C)CC[NH2+][C@@H]1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000662775585 413476296 /nfs/dbraw/zinc/47/62/96/413476296.db2.gz CMUOLCYQNLRMRP-CQSZACIVSA-N 2 0 291.370 1.798 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(C)(C)C[NH+]2CCCC2)C1 ZINC000654663002 413553774 /nfs/dbraw/zinc/55/37/74/413553774.db2.gz BPTPIUPHXQCOCZ-OKILXGFUSA-N 2 0 296.459 1.500 10 0 CDAERP [NH3+]Cc1ccc(OCCC[NH+]2CCSCC2)cc1 ZINC000035725290 172379788 /nfs/dbraw/zinc/37/97/88/172379788.db2.gz RIWRPIDCBZHHKE-UHFFFAOYSA-N 2 0 266.410 1.963 10 0 CDAERP [NH3+][C@H]1C[C@H](C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)C1 ZINC000662878433 413641743 /nfs/dbraw/zinc/64/17/43/413641743.db2.gz RICLIYOYNRPOBY-OBJOEFQTSA-N 2 0 275.352 1.023 10 0 CDAERP Nc1cc[nH+]cc1C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000662881709 413651117 /nfs/dbraw/zinc/65/11/17/413651117.db2.gz AQFBSBPIXKOBEH-OAHLLOKOSA-N 2 0 298.346 1.407 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCC[NH+](C)C1CC1 ZINC000342641264 287269783 /nfs/dbraw/zinc/26/97/83/287269783.db2.gz VOGDSEHAXXEUTO-CYBMUJFWSA-N 2 0 282.432 1.254 10 0 CDAERP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc1 ZINC000659387571 413772724 /nfs/dbraw/zinc/77/27/24/413772724.db2.gz WTNPAIDZSUIEFG-OASPWFOLSA-N 2 0 265.332 1.218 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000659467821 413856280 /nfs/dbraw/zinc/85/62/80/413856280.db2.gz PEOWXUILZDJJTB-OUCADQQQSA-N 2 0 282.432 1.284 10 0 CDAERP O=C(NCC[NH+]1CCCCCC1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407360487 413942302 /nfs/dbraw/zinc/94/23/02/413942302.db2.gz HFNXAOXDWVTXPV-HUUCEWRRSA-N 2 0 279.428 1.509 10 0 CDAERP COC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C1CCOCC1 ZINC000665236866 413968227 /nfs/dbraw/zinc/96/82/27/413968227.db2.gz VQGMCZNIGDFCKF-FPCVCCKLSA-N 2 0 282.428 1.406 10 0 CDAERP C[C@H](N[C@H]1CC[N@@H+](C(C)(C)C)C1)[C@@H]1CCC[NH2+]C1 ZINC000665236793 413969732 /nfs/dbraw/zinc/96/97/32/413969732.db2.gz UKLDIFIORDISGN-MJBXVCDLSA-N 2 0 253.434 1.837 10 0 CDAERP CCC[NH2+]C1CCN([C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000037241467 173057679 /nfs/dbraw/zinc/05/76/79/173057679.db2.gz BOJMRJMXHQCPRI-OAHLLOKOSA-N 2 0 251.418 1.545 10 0 CDAERP C[NH+]1CCN(CC[NH2+]Cc2cccc3cccnc32)CC1 ZINC000037497636 173236561 /nfs/dbraw/zinc/23/65/61/173236561.db2.gz GTJGOTPNMLWUPK-UHFFFAOYSA-N 2 0 284.407 1.572 10 0 CDAERP C[C@H]1C[NH+](CCC[NH+]2CCCCC2)C[C@H](C)C1O ZINC000661627340 414224949 /nfs/dbraw/zinc/22/49/49/414224949.db2.gz QHGDTXZQPLKODB-KBPBESRZSA-N 2 0 254.418 1.811 10 0 CDAERP C[C@@H]1CCCC[C@H]1NC(=O)NCCN(C)CCC[NH+](C)C ZINC000663414408 414236690 /nfs/dbraw/zinc/23/66/90/414236690.db2.gz CNXPBZYMIWNMJN-HUUCEWRRSA-N 2 0 298.475 1.748 10 0 CDAERP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655803701 414199150 /nfs/dbraw/zinc/19/91/50/414199150.db2.gz CBVZPUNBGQOTHP-QLFBSQMISA-N 2 0 264.417 1.838 10 0 CDAERP C[C@H](C[NH2+]Cc1cn(C2CCC2)nn1)CN1CCOCC1 ZINC000657371491 414247254 /nfs/dbraw/zinc/24/72/54/414247254.db2.gz WIIUXYLGFYVWKB-CYBMUJFWSA-N 2 0 293.415 1.061 10 0 CDAERP CC[C@@H]1CCC[C@@H](C[N@@H+]2CCOC3(CNC3)C2)C1 ZINC000663513014 414315879 /nfs/dbraw/zinc/31/58/79/414315879.db2.gz QFSUUAREZMXFJA-ZIAGYGMSSA-N 2 0 252.402 1.877 10 0 CDAERP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccc(-n2cncn2)c(F)c1 ZINC000663499349 414298767 /nfs/dbraw/zinc/29/87/67/414298767.db2.gz YPKMRXSOBWEBGM-CQSZACIVSA-N 2 0 291.374 1.869 10 0 CDAERP COc1cccc2c1CC[C@H]([NH2+]CC13CC(C1)C[NH2+]3)C2 ZINC000663501082 414301693 /nfs/dbraw/zinc/30/16/93/414301693.db2.gz RQWYAKNBIKCEGB-TVIZTDCDSA-N 2 0 272.392 1.894 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+]CC(C)(C)COC)CC1 ZINC000663505501 414305087 /nfs/dbraw/zinc/30/50/87/414305087.db2.gz JKZSWNGZADZGFB-UHFFFAOYSA-N 2 0 299.459 1.239 10 0 CDAERP FC(F)COCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657444655 414340562 /nfs/dbraw/zinc/34/05/62/414340562.db2.gz IWSXABJRDXCAAS-UHFFFAOYSA-N 2 0 282.294 1.639 10 0 CDAERP C[C@@H]1CCC[C@@]1(O)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657475708 414373430 /nfs/dbraw/zinc/37/34/30/414373430.db2.gz DBCWUUGZLNPDDV-CZUORRHYSA-N 2 0 286.379 1.908 10 0 CDAERP OC[C@@H]1CCC[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657494583 414393415 /nfs/dbraw/zinc/39/34/15/414393415.db2.gz CRGVISLXLQXRGB-ZIAGYGMSSA-N 2 0 286.379 1.908 10 0 CDAERP Cn1cncc1CCC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000662277747 414609739 /nfs/dbraw/zinc/60/97/39/414609739.db2.gz WQLBHZJAXHXDHB-ZBFHGGJFSA-N 2 0 276.428 1.817 10 0 CDAERP C[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)[C@@H]1CCCO1 ZINC000662283955 414614235 /nfs/dbraw/zinc/61/42/35/414614235.db2.gz WIPWEXIOTSJPDM-LRDDRELGSA-N 2 0 260.381 1.989 10 0 CDAERP CCO[C@@H]1C[N@H+](C[C@H](OC)C2CCCCC2)C[C@H]1C[NH3+] ZINC000662285487 414616796 /nfs/dbraw/zinc/61/67/96/414616796.db2.gz KLTYQSXSEGDBKN-OWCLPIDISA-N 2 0 284.444 1.877 10 0 CDAERP c1cc(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)c2c(c1)C[NH2+]CC2 ZINC000662243875 414582237 /nfs/dbraw/zinc/58/22/37/414582237.db2.gz FYKJXQYUHJUQDC-CVEARBPZSA-N 2 0 271.408 1.659 10 0 CDAERP CC(C)NC(=O)CN(C)Cc1cccc2c1CC[NH2+]C2 ZINC000662248590 414583766 /nfs/dbraw/zinc/58/37/66/414583766.db2.gz GWHIZMMSDMDTBP-UHFFFAOYSA-N 2 0 275.396 1.289 10 0 CDAERP COCC[C@@H](C)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319478 414638397 /nfs/dbraw/zinc/63/83/97/414638397.db2.gz IKUOFPYZSUYLFE-ZIAGYGMSSA-N 2 0 258.406 1.454 10 0 CDAERP C[N@H+](CCN1CC[NH2+]CC1)C[C@H]1CCc2ccccc21 ZINC000662320199 414638672 /nfs/dbraw/zinc/63/86/72/414638672.db2.gz ALGPNZZQDOJSOJ-MRXNPFEDSA-N 2 0 273.424 1.553 10 0 CDAERP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@H]2C[NH2+]C[C@H]2O)CC1 ZINC000263116847 287288831 /nfs/dbraw/zinc/28/88/31/287288831.db2.gz ARESTBLURMRBKL-TXCZRRACSA-N 2 0 295.471 1.199 10 0 CDAERP CSCC[C@H]([NH3+])C(=O)N1CC[NH+](CCC(C)C)CC1 ZINC000040468616 174276658 /nfs/dbraw/zinc/27/66/58/174276658.db2.gz YLHAJMIOVIDBQN-ZDUSSCGKSA-N 2 0 287.473 1.257 10 0 CDAERP C[NH2+]C[C@H]1CCC[N@H+](CCC(=O)NC2CCCCC2)C1 ZINC000040600345 174351046 /nfs/dbraw/zinc/35/10/46/174351046.db2.gz ZXTXLZHGVOIJSR-CQSZACIVSA-N 2 0 281.444 1.757 10 0 CDAERP C[C@@H]([NH2+]CCc1nccn1C)[C@H]1CCC[N@H+](C)C1 ZINC000040639014 174362810 /nfs/dbraw/zinc/36/28/10/174362810.db2.gz GGXUZWVLVUXYGR-OLZOCXBDSA-N 2 0 250.390 1.283 10 0 CDAERP CC[C@@H](C(N)=[NH2+])N1CC[NH+](Cc2ccccc2)CC1 ZINC000043545425 175064403 /nfs/dbraw/zinc/06/44/03/175064403.db2.gz LTGVUHXAYIMAAE-AWEZNQCLSA-N 2 0 260.385 1.519 10 0 CDAERP CCOc1ccc([C@@H](CN2CC[NH+](CC)CC2)[NH2+]C)cc1 ZINC000043805814 175107589 /nfs/dbraw/zinc/10/75/89/175107589.db2.gz FBFQQXBEDZMIGC-QGZVFWFLSA-N 2 0 291.439 1.983 10 0 CDAERP CC[NH+]1CCN([C@H](C)[C@@H]([NH2+]C)c2ccc(OC)cc2)CC1 ZINC000043805845 175108598 /nfs/dbraw/zinc/10/85/98/175108598.db2.gz FIYSMHWYCGEZHU-RHSMWYFYSA-N 2 0 291.439 1.982 10 0 CDAERP C[NH2+][C@@H]1c2ccccc2OC[C@H]1N1CCC[N@H+](C)CC1 ZINC000043818231 175112851 /nfs/dbraw/zinc/11/28/51/175112851.db2.gz ARNAYQPOAPWWRD-GDBMZVCRSA-N 2 0 275.396 1.346 10 0 CDAERP C[NH2+][C@H](CN1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000043896866 175119342 /nfs/dbraw/zinc/11/93/42/175119342.db2.gz AIECKHFELVQFBA-MRXNPFEDSA-N 2 0 261.413 1.973 10 0 CDAERP CC[NH2+][C@H](CC)[C@H](C)N(CCOC)[C@@H](C)COC ZINC000043975876 175133042 /nfs/dbraw/zinc/13/30/42/175133042.db2.gz NRVWQCNLXOJCIV-MELADBBJSA-N 2 0 260.422 1.746 10 0 CDAERP C[NH+]1CCC(C[NH2+]CC(=O)Nc2ccccc2)CC1 ZINC000044518388 175191007 /nfs/dbraw/zinc/19/10/07/175191007.db2.gz KIXFBRVUJJFNCP-UHFFFAOYSA-N 2 0 261.369 1.557 10 0 CDAERP CCN(CC)C(=O)[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000044518316 175191169 /nfs/dbraw/zinc/19/11/69/175191169.db2.gz LCZPMUDMZHJNBX-GFCCVEGCSA-N 2 0 255.406 1.175 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CNC(=O)C[C@@H]1CCCC[NH2+]1 ZINC000044564925 175207365 /nfs/dbraw/zinc/20/73/65/175207365.db2.gz FZAVAQXJRDSBAZ-STQMWFEESA-N 2 0 253.390 1.119 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)C[NH2+]CCC)CC1 ZINC000044647811 175223230 /nfs/dbraw/zinc/22/32/30/175223230.db2.gz DWOYTEREMXUGIS-UHFFFAOYSA-N 2 0 255.406 1.367 10 0 CDAERP CC[NH+]1CCC([C@@H](C)[NH2+][C@H]2CCN(C3CC3)C2)CC1 ZINC000044685774 175231226 /nfs/dbraw/zinc/23/12/26/175231226.db2.gz JCMOHWLMNZKGOY-HIFRSBDPSA-N 2 0 265.445 1.933 10 0 CDAERP [NH3+]CC1(C(=O)NCC[NH+]2CCCCC2)CCCCC1 ZINC000044763892 175247688 /nfs/dbraw/zinc/24/76/88/175247688.db2.gz WAQSGHPVADXIOL-UHFFFAOYSA-N 2 0 267.417 1.498 10 0 CDAERP CC(C)[NH+]1CCN(C(=O)[C@@H](C[NH3+])Cc2ccccc2)CC1 ZINC000044802159 175255458 /nfs/dbraw/zinc/25/54/58/175255458.db2.gz VOIXXTOVRRZHAN-MRXNPFEDSA-N 2 0 289.423 1.357 10 0 CDAERP C[C@H](C[NH+]1CCCC1)NC(=O)[C@H](C[NH3+])Cc1ccccc1 ZINC000044805799 175256372 /nfs/dbraw/zinc/25/63/72/175256372.db2.gz QWLROWNLMWBCRI-ZBFHGGJFSA-N 2 0 289.423 1.405 10 0 CDAERP [NH3+]C[C@@H](Cc1ccccc1)C(=O)NCC[NH+]1CCCCC1 ZINC000044806752 175256422 /nfs/dbraw/zinc/25/64/22/175256422.db2.gz KPSGHSPWFNTGQL-MRXNPFEDSA-N 2 0 289.423 1.406 10 0 CDAERP CC(C)[C@@H](C[NH3+])C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000044995405 175287369 /nfs/dbraw/zinc/28/73/69/175287369.db2.gz JYIQQCANMFLLLJ-CHWSQXEVSA-N 2 0 255.406 1.208 10 0 CDAERP C[C@H](CNC(=O)C[C@H]1CCCC[NH2+]1)[NH+]1CCCCC1 ZINC000045010316 175289479 /nfs/dbraw/zinc/28/94/79/175289479.db2.gz MXXQEFXCSWQFLB-ZIAGYGMSSA-N 2 0 267.417 1.509 10 0 CDAERP C[NH2+][C@@](C)(CCC[N@H+]1C[C@H](C)C[C@H](C)C1)C(N)=O ZINC000045373551 175365186 /nfs/dbraw/zinc/36/51/86/175365186.db2.gz ZQAYWLPGUOPZHT-SCRDCRAPSA-N 2 0 255.406 1.208 10 0 CDAERP CCC[NH2+][C@@](C)(CCC[NH+]1CCCCCC1)C(N)=O ZINC000045377547 175366957 /nfs/dbraw/zinc/36/69/57/175366957.db2.gz AAOFYEZUQRFOTI-HNNXBMFYSA-N 2 0 269.433 1.886 10 0 CDAERP CCC[NH2+][C@](C)(CCCC[N@@H+]1CCCN(C)CC1)C(N)=O ZINC000045380367 175369258 /nfs/dbraw/zinc/36/92/58/175369258.db2.gz RUTIKTRQQLJCIY-MRXNPFEDSA-N 2 0 298.475 1.038 10 0 CDAERP CC(C)[NH2+][C@@H]1CCN([C@H](C)C[NH+]2CCCC2)C1=O ZINC000071033548 176023423 /nfs/dbraw/zinc/02/34/23/176023423.db2.gz XTWATGUCDMLIRD-CHWSQXEVSA-N 2 0 253.390 1.070 10 0 CDAERP COc1cncc(N2CCC[N@H+](CCCCC[NH3+])CC2)n1 ZINC000071175807 176054433 /nfs/dbraw/zinc/05/44/33/176054433.db2.gz NQBVHVIGDQTQTK-UHFFFAOYSA-N 2 0 293.415 1.126 10 0 CDAERP CN(C[C@H]1CC[N@H+](C)C1)C(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000071189701 176065210 /nfs/dbraw/zinc/06/52/10/176065210.db2.gz GQPTXAJHGTUBGO-BBRMVZONSA-N 2 0 287.407 1.111 10 0 CDAERP Cc1oc(CN(C)C[C@H]2CC[N@H+](C)C2)cc1C[NH3+] ZINC000071191887 176071686 /nfs/dbraw/zinc/07/16/86/176071686.db2.gz BSHFCKOPTOLKKS-LBPRGKRZSA-N 2 0 251.374 1.430 10 0 CDAERP CC(C)[NH2+]Cc1ccnc(N(C)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000071191716 176072037 /nfs/dbraw/zinc/07/20/37/176072037.db2.gz QOOHSMGHSVHXSP-OAHLLOKOSA-N 2 0 276.428 1.968 10 0 CDAERP CN(C[C@H]1CC[N@H+](C)C1)c1cccc(C[NH2+]C2CC2)n1 ZINC000071191780 176072176 /nfs/dbraw/zinc/07/21/76/176072176.db2.gz PKMUDDUNJHIRKU-ZDUSSCGKSA-N 2 0 274.412 1.722 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)C[C@@H]2CC[NH+](C)C2)O1 ZINC000071192064 176073023 /nfs/dbraw/zinc/07/30/23/176073023.db2.gz FHUBKFXLRCILBI-IXDOHACOSA-N 3 0 297.487 1.663 10 0 CDAERP C[NH2+][C@@H]1CCN(CCC[N@H+](C)Cc2ccccc2)C1 ZINC000071198152 176077047 /nfs/dbraw/zinc/07/70/47/176077047.db2.gz FYQSCXUVTIFPLA-MRXNPFEDSA-N 2 0 261.413 1.802 10 0 CDAERP Cc1ccc(N)c(C[NH+]2CCN(CC[NH+](C)C)CC2)c1 ZINC000071384054 176147245 /nfs/dbraw/zinc/14/72/45/176147245.db2.gz MCUFSZKERVEUKI-UHFFFAOYSA-N 2 0 276.428 1.256 10 0 CDAERP C[NH+](C)C1(CNC(=O)[C@]2(C)CCC[NH2+]2)CCCCC1 ZINC000079519456 177513833 /nfs/dbraw/zinc/51/38/33/177513833.db2.gz XBPRSBZOUZVDCL-AWEZNQCLSA-N 2 0 267.417 1.509 10 0 CDAERP C[C@H](C[NH3+])NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000417937725 227238426 /nfs/dbraw/zinc/23/84/26/227238426.db2.gz IRTWAGGMBFJONX-MRVWCRGKSA-N 2 0 276.384 1.078 10 0 CDAERP CC(C)[C@H](C[NH2+][C@H](C)[C@@H]1C[C@@H]1C)N1CC[NH+](C)CC1 ZINC000321754614 270330250 /nfs/dbraw/zinc/33/02/50/270330250.db2.gz BNQSKRICKKBYTQ-JJXSEGSLSA-N 2 0 267.461 1.893 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)NCc1nc2c(s1)C[NH2+]CC2 ZINC000663496487 423889577 /nfs/dbraw/zinc/88/95/77/423889577.db2.gz GWBFPCFKRWRSQH-IUCAKERBSA-N 2 0 254.403 1.004 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NCC1([NH3+])CCCCCC1 ZINC000659505483 423823583 /nfs/dbraw/zinc/82/35/83/423823583.db2.gz OOCFXCOEEYMDQV-CYBMUJFWSA-N 2 0 284.448 1.711 10 0 CDAERP Cc1cc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)ncn1 ZINC000662271944 423824045 /nfs/dbraw/zinc/82/40/45/423824045.db2.gz CDFBJGLDCYTIKC-AWEZNQCLSA-N 2 0 260.385 1.607 10 0 CDAERP C[C@@]12COC[C@H]1C[N@H+](Cc1ccc3c(c1)C[NH2+]CC3)C2 ZINC000662310086 423943708 /nfs/dbraw/zinc/94/37/08/423943708.db2.gz GZKBIHILDHDZSZ-IAGOWNOFSA-N 2 0 272.392 1.801 10 0 CDAERP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCCC1(C[NH3+])CC1 ZINC000652185745 424000425 /nfs/dbraw/zinc/00/04/25/424000425.db2.gz RSICGKJMTRDYLT-ZDUSSCGKSA-N 2 0 296.459 1.535 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000662388918 424027469 /nfs/dbraw/zinc/02/74/69/424027469.db2.gz QEXROBSJCDULEJ-GJZGRUSLSA-N 2 0 299.459 1.367 10 0 CDAERP O=C(NCCC1CC[NH2+]CC1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000653267241 423961106 /nfs/dbraw/zinc/96/11/06/423961106.db2.gz MXYNIRZLIQSXCJ-KKUMJFAQSA-N 2 0 279.428 1.413 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000652213112 424063465 /nfs/dbraw/zinc/06/34/65/424063465.db2.gz BYPVFMOVENMGNB-MRXNPFEDSA-N 2 0 298.475 1.653 10 0 CDAERP CC[N@H+](CCCNC(=O)NC/C=C\C[NH3+])C1CCCCC1 ZINC000652219469 424065705 /nfs/dbraw/zinc/06/57/05/424065705.db2.gz AMYKYVZRIMLYSB-SREVYHEPSA-N 2 0 296.459 1.845 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000652224865 424081910 /nfs/dbraw/zinc/08/19/10/424081910.db2.gz JPQOPBJTIPRBLH-HNNXBMFYSA-N 2 0 284.448 1.345 10 0 CDAERP C[N@@H+]1CCC[C@@]2(CCN(C(=O)NCCC3(C[NH3+])CC3)C2)C1 ZINC000652233127 424107360 /nfs/dbraw/zinc/10/73/60/424107360.db2.gz NJDRAFRLPOEICW-MRXNPFEDSA-N 2 0 294.443 1.243 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)[C@@H]2CCC[C@@H]21 ZINC000652251943 424151610 /nfs/dbraw/zinc/15/16/10/424151610.db2.gz VFXPQZDGPLLYFP-GHRCFYLDSA-N 2 0 250.386 1.769 10 0 CDAERP C[C@H]1C[C@H](N(C)C(=O)NCC2([NH3+])CCCC2)CC[N@@H+]1C ZINC000659573267 424240305 /nfs/dbraw/zinc/24/03/05/424240305.db2.gz NZDCCLCRBQXSEQ-QWHCGFSZSA-N 2 0 282.432 1.382 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653116611 424298132 /nfs/dbraw/zinc/29/81/32/424298132.db2.gz MTWDKLCRGNORQL-CLWVCHIJSA-N 2 0 293.455 1.896 10 0 CDAERP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)CC1 ZINC000661703143 424324060 /nfs/dbraw/zinc/32/40/60/424324060.db2.gz JJEKIYXWBPJNIA-IAGOWNOFSA-N 2 0 295.471 1.371 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000662732350 424387035 /nfs/dbraw/zinc/38/70/35/424387035.db2.gz RZYKOADFWLMLLD-ZIAGYGMSSA-N 2 0 269.433 1.741 10 0 CDAERP CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400974919 424419130 /nfs/dbraw/zinc/41/91/30/424419130.db2.gz RGMFLHRHXUKPJC-KLHDSHLOSA-N 2 0 267.461 1.940 10 0 CDAERP C[N@@H+]1CCC[C@H](C[NH2+]CC(C)(C)N2CCOCC2)C1 ZINC000054240091 424464019 /nfs/dbraw/zinc/46/40/19/424464019.db2.gz MYXOPMPIMZZZEV-CQSZACIVSA-N 2 0 269.433 1.029 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCC[NH+]3CCCC[C@H]23)C1 ZINC000655349140 424475316 /nfs/dbraw/zinc/47/53/16/424475316.db2.gz KKALKHNWGSOHRA-QLFBSQMISA-N 2 0 279.428 1.461 10 0 CDAERP Cn1cnc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000313254102 270324693 /nfs/dbraw/zinc/32/46/93/270324693.db2.gz NZUPTZJNQSXKES-OWCLPIDISA-N 2 0 276.428 1.863 10 0 CDAERP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)[C@H]1CC1(C)C ZINC000397785005 270351119 /nfs/dbraw/zinc/35/11/19/270351119.db2.gz YBPFZSGLXYXRTQ-ZIAGYGMSSA-N 2 0 253.434 1.648 10 0 CDAERP C[C@H]([NH3+])C1CC[NH+](Cc2cc(CO)ccc2F)CC1 ZINC000530206238 271149575 /nfs/dbraw/zinc/14/95/75/271149575.db2.gz ABFXKSCGQSEEMJ-NSHDSACASA-N 2 0 266.360 1.877 10 0 CDAERP O[C@H](CNC[C@@H]1CC[N@@H+]1C1CCCC1)C[NH+]1CCCC1 ZINC000530241907 271178435 /nfs/dbraw/zinc/17/84/35/271178435.db2.gz FBZMYRVHEGDZRS-JKSUJKDBSA-N 2 0 281.444 1.050 10 0 CDAERP CC1CC[NH+](CC(=O)N[C@@H]2CCC[C@H]2C[NH2+]CCF)CC1 ZINC001667759189 1173321317 /nfs/dbraw/zinc/32/13/17/1173321317.db2.gz VRUHTTDGDKLBHC-LSDHHAIUSA-N 2 0 299.434 1.562 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CC[C@H]1SC ZINC000425357520 276357895 /nfs/dbraw/zinc/35/78/95/276357895.db2.gz QFLLQXBTNXQLAV-JHJVBQTASA-N 2 0 260.447 1.827 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000171776144 276363118 /nfs/dbraw/zinc/36/31/18/276363118.db2.gz ZZIRJHGDGURQBW-HUUCEWRRSA-N 2 0 294.443 1.350 10 0 CDAERP CC(C)C(=O)N1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000250692122 277328508 /nfs/dbraw/zinc/32/85/08/277328508.db2.gz MIMXGUBUEIVEOJ-HOTGVXAUSA-N 2 0 293.455 1.850 10 0 CDAERP COc1cc(C)c(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)c(C)n1 ZINC000414968267 277805430 /nfs/dbraw/zinc/80/54/30/277805430.db2.gz YKAMLBBCPQRYPK-FZMZJTMJSA-N 2 0 263.385 1.795 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)N1CC([N@H+](C)Cc2ccccc2)C1 ZINC000418718340 278315274 /nfs/dbraw/zinc/31/52/74/278315274.db2.gz IIRQJIVVCXXYDU-OLZOCXBDSA-N 2 0 290.411 1.248 10 0 CDAERP CC[C@H]([NH2+]CCC[NH3+])c1ccc(C(=O)OC)cc1 ZINC000423189585 288039785 /nfs/dbraw/zinc/03/97/85/288039785.db2.gz MXBSYKRXUDHGLA-ZDUSSCGKSA-N 2 0 250.342 1.863 10 0 CDAERP CC[NH+](CC)[C@@H](CNC(=O)CC[C@@H](C)[NH3+])CC(C)C ZINC000193294823 279145706 /nfs/dbraw/zinc/14/57/06/279145706.db2.gz HCVUDNIZLZGVRY-ZIAGYGMSSA-N 2 0 271.449 1.987 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCCC12CC[NH+](C)CC2 ZINC000414733975 279179063 /nfs/dbraw/zinc/17/90/63/279179063.db2.gz FKQJQHGFWVSHOE-AWEZNQCLSA-N 2 0 253.434 1.920 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000414682514 279179733 /nfs/dbraw/zinc/17/97/33/279179733.db2.gz RIWMAZJIQCLHRS-INIZCTEOSA-N 2 0 282.476 1.073 10 0 CDAERP CC[N@H+](CCNC(=O)c1c[nH+]ccc1N(C)C)C1CC1 ZINC000183559222 279205540 /nfs/dbraw/zinc/20/55/40/279205540.db2.gz LOKCBTVAWYEYSQ-UHFFFAOYSA-N 2 0 276.384 1.362 10 0 CDAERP C[C@H](CN1CCCC1=O)[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353393864 279299006 /nfs/dbraw/zinc/29/90/06/279299006.db2.gz KJOXSGVCYUFZJG-KBUPBQIOSA-N 2 0 279.428 1.460 10 0 CDAERP CC[NH+]1CCC(C[NH2+]Cc2nc(C)ccc2O)CC1 ZINC000112837622 279333073 /nfs/dbraw/zinc/33/30/73/279333073.db2.gz SMRDQZPJOPWMGW-UHFFFAOYSA-N 2 0 263.385 1.917 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000418201377 279377997 /nfs/dbraw/zinc/37/79/97/279377997.db2.gz RNXXJIBYIDEURJ-BFHYXJOUSA-N 2 0 282.432 1.109 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000237952618 279679140 /nfs/dbraw/zinc/67/91/40/279679140.db2.gz YIDUCLMCGDDUNA-BFHYXJOUSA-N 2 0 265.401 1.201 10 0 CDAERP CC[NH+](CC)CCNC(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000194126774 280024619 /nfs/dbraw/zinc/02/46/19/280024619.db2.gz KSVMJUSOUSRQOR-CYBMUJFWSA-N 2 0 270.421 1.112 10 0 CDAERP C[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1C)C[NH+]1CCCCC1 ZINC000195131932 280071013 /nfs/dbraw/zinc/07/10/13/280071013.db2.gz SQCBFKHRVHSZJF-GJZGRUSLSA-N 2 0 296.459 1.502 10 0 CDAERP CCC[C@H](C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)[NH+](C)C ZINC000245762847 280231688 /nfs/dbraw/zinc/23/16/88/280231688.db2.gz FOPQNAKCSYNCJJ-QLFBSQMISA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000262576776 280273274 /nfs/dbraw/zinc/27/32/74/280273274.db2.gz ORIFSSAHVZBZKS-KGLIPLIRSA-N 2 0 267.417 1.160 10 0 CDAERP O=C1NCCCC[C@H]1[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000120207865 280285182 /nfs/dbraw/zinc/28/51/82/280285182.db2.gz OTRKIOLPNJQBMX-OAHLLOKOSA-N 2 0 279.428 1.463 10 0 CDAERP C[C@@H]1CC(O)C[C@@H](C)[NH+]1CCC[NH+]1[C@H](C)CC(O)C[C@H]1C ZINC000248747142 280378970 /nfs/dbraw/zinc/37/89/70/280378970.db2.gz FQWCDUIMRAIDIX-KBUPBQIOSA-N 2 0 298.471 1.844 10 0 CDAERP CCN(CC[NH2+]CCCF)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001668464404 1173417921 /nfs/dbraw/zinc/41/79/21/1173417921.db2.gz OCKDFNRCGKZYCQ-LSDHHAIUSA-N 2 0 299.434 1.801 10 0 CDAERP C[C@@H](Cc1ccoc1)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000515125354 280874522 /nfs/dbraw/zinc/87/45/22/280874522.db2.gz MHGALYTVRPSPOA-HNNXBMFYSA-N 2 0 279.428 1.828 10 0 CDAERP CC[N@@H+]1CC[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC000519788489 281036614 /nfs/dbraw/zinc/03/66/14/281036614.db2.gz FCCFGFACOCDLIF-ZDUSSCGKSA-N 2 0 255.406 1.176 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](CCO)C1CCC1 ZINC000526149341 281118022 /nfs/dbraw/zinc/11/80/22/281118022.db2.gz AOFYXNYKIIFCON-UHFFFAOYSA-N 2 0 286.379 1.923 10 0 CDAERP C[NH+](C)CCOCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353669354 289170329 /nfs/dbraw/zinc/17/03/29/289170329.db2.gz IXGGQFFVYGDFLJ-RBSFLKMASA-N 3 0 269.433 1.027 10 0 CDAERP CC[C@H]1CN(CC[NH+]2CCC(C)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000153802490 289182320 /nfs/dbraw/zinc/18/23/20/289182320.db2.gz LAQICDQKROPGPV-SJORKVTESA-N 2 0 297.487 1.495 10 0 CDAERP CCC[N@H+](C)C[C@H]1CC[NH+](CC2(O)CCOCC2)C1 ZINC000154265094 289200291 /nfs/dbraw/zinc/20/02/91/289200291.db2.gz UVYLMUPHMPAPOE-CQSZACIVSA-N 2 0 270.417 1.192 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C(N)=O)nc2)[C@@H]2CCC[C@H]21 ZINC000552244550 290062089 /nfs/dbraw/zinc/06/20/89/290062089.db2.gz FCEKNCDNZHTNPH-KCQAQPDRSA-N 2 0 288.395 1.143 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000553519839 290124252 /nfs/dbraw/zinc/12/42/52/290124252.db2.gz MIIQSGDHIWDFGU-KGLIPLIRSA-N 2 0 269.433 1.421 10 0 CDAERP C[N@@H+]1CC[C@@H](NC(=O)NC(C)(C)C[NH3+])[C@H]1c1ccccc1 ZINC000417935251 290138799 /nfs/dbraw/zinc/13/87/99/290138799.db2.gz GLXQENYBNAUEIW-ZIAGYGMSSA-N 2 0 290.411 1.468 10 0 CDAERP [NH3+]CC[C@@H]1CCCN(C(=O)c2ccc(C[NH3+])cc2)C1 ZINC000563108301 293276794 /nfs/dbraw/zinc/27/67/94/293276794.db2.gz LHDBVVLZWFRUQK-ZDUSSCGKSA-N 2 0 261.369 1.346 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccc(CC[NH+](C)C)cc1)S(C)(=O)=O ZINC000568078344 293947703 /nfs/dbraw/zinc/94/77/03/293947703.db2.gz OBKYRBRLYVIIFU-ZDUSSCGKSA-N 2 0 298.452 1.313 10 0 CDAERP C[C@@H](C(=O)N1CCc2ccccc2[C@H]1C[NH3+])[C@H](C)[NH3+] ZINC000568631189 294072322 /nfs/dbraw/zinc/07/23/22/294072322.db2.gz WCSUKYUWWKUTKR-UHIISALHSA-N 2 0 261.369 1.054 10 0 CDAERP O=C(CC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)Nc1cccnc1 ZINC000569220903 294176288 /nfs/dbraw/zinc/17/62/88/294176288.db2.gz ALYXYWZXZYXVOP-MRXNPFEDSA-N 2 0 288.395 1.486 10 0 CDAERP CC(C)C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH+](C)C ZINC000570408844 294234202 /nfs/dbraw/zinc/23/42/02/294234202.db2.gz KMVYPLVYIORODG-KBPBESRZSA-N 2 0 269.433 1.421 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000570514039 294253104 /nfs/dbraw/zinc/25/31/04/294253104.db2.gz CCFMXLDNJGQZPU-WDEREUQCSA-N 2 0 295.349 1.647 10 0 CDAERP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCCC[C@@H](CCOC)C1 ZINC000570575541 294264847 /nfs/dbraw/zinc/26/48/47/294264847.db2.gz VEDAJMWQTUGLGL-UONOGXRCSA-N 2 0 258.406 1.095 10 0 CDAERP [NH3+]CC1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000262451380 295224537 /nfs/dbraw/zinc/22/45/37/295224537.db2.gz RNCIBTLHJLLFBW-MJBXVCDLSA-N 2 0 265.401 1.104 10 0 CDAERP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1CCCCN1CCO ZINC000423143946 295296463 /nfs/dbraw/zinc/29/64/63/295296463.db2.gz FQEVZLHGLSOMFA-ZNMIVQPWSA-N 2 0 269.433 1.083 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000418601185 297109003 /nfs/dbraw/zinc/10/90/03/297109003.db2.gz UDPCMWPNWKHRLU-FMKPAKJESA-N 2 0 294.443 1.112 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000417027836 298565216 /nfs/dbraw/zinc/56/52/16/298565216.db2.gz OFZCPGXWVJOOEA-KFWWJZLASA-N 2 0 294.443 1.254 10 0 CDAERP C[C@H](C[NH2+]C/C=C\Cl)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001669377304 1173542333 /nfs/dbraw/zinc/54/23/33/1173542333.db2.gz UKGXRTVOXKUGRZ-OXTPZFROSA-N 2 0 273.808 1.318 10 0 CDAERP CCCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001669812501 1173612048 /nfs/dbraw/zinc/61/20/48/1173612048.db2.gz ZZIJEIKNENJZLX-RRFJBIMHSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000569458030 316784766 /nfs/dbraw/zinc/78/47/66/316784766.db2.gz DRUBLRFEEQIUFR-BYNSBNAKSA-N 2 0 279.428 1.365 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CCC1 ZINC001673205722 1173836290 /nfs/dbraw/zinc/83/62/90/1173836290.db2.gz FWFGWUWYIBLZAP-UHFFFAOYSA-N 2 0 281.444 1.757 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CNC(=O)N(C)CCC[NH+](C)C)C1 ZINC000184573534 323366493 /nfs/dbraw/zinc/36/64/93/323366493.db2.gz JSQLVIOQKGKSIV-AWEZNQCLSA-N 2 0 284.448 1.311 10 0 CDAERP Cn1cncc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000388356922 323788134 /nfs/dbraw/zinc/78/81/34/323788134.db2.gz AVIYQGPLLLFBBE-SOUVJXGZSA-N 2 0 262.401 1.821 10 0 CDAERP C[NH2+][C@@H]1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000580071986 324359632 /nfs/dbraw/zinc/35/96/32/324359632.db2.gz IXNNSPCCYKNXKV-CHWSQXEVSA-N 2 0 253.390 1.071 10 0 CDAERP CC(C)c1noc(CCC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000580096001 324371953 /nfs/dbraw/zinc/37/19/53/324371953.db2.gz OYYMTOPZAAPVKL-NEPJUHHUSA-N 2 0 266.389 1.985 10 0 CDAERP CCOCC[C@@H](O)C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000582900062 325065707 /nfs/dbraw/zinc/06/57/07/325065707.db2.gz AZLWSASJLYHKDG-YMAMQOFZSA-N 2 0 270.417 1.380 10 0 CDAERP CC[NH+](CC)CCCN1CCC([NH2+]CCOC)CC1 ZINC000584058448 326911530 /nfs/dbraw/zinc/91/15/30/326911530.db2.gz XTUBPJGZJCHBRO-UHFFFAOYSA-N 2 0 271.449 1.419 10 0 CDAERP O=C(NC[C@H]1C[C@@H]([NH2+]CCCF)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001691440697 1159213490 /nfs/dbraw/zinc/21/34/90/1159213490.db2.gz PUNYLAZYYPFHDM-VHDGCEQUSA-N 2 0 297.418 1.172 10 0 CDAERP C[NH+](C)C1(CN[C@@H]2C[C@H]([NH3+])C23CCC3)CCCC1 ZINC000405200373 1159256766 /nfs/dbraw/zinc/25/67/66/1159256766.db2.gz AGBDGSMXPFNDSN-QWHCGFSZSA-N 2 0 251.418 1.720 10 0 CDAERP CC[C@H](C(=O)NCC1([NH2+]CC=C(C)C)CC1)[NH+](C)C ZINC001670808286 1160171857 /nfs/dbraw/zinc/17/18/57/1160171857.db2.gz YNBDPMOXIAKMMK-CYBMUJFWSA-N 2 0 267.417 1.531 10 0 CDAERP CC(C)C[C@H](C[NH2+]C(C)C)NC(=O)CC[NH+](C)C ZINC001482395018 1160199340 /nfs/dbraw/zinc/19/93/40/1160199340.db2.gz ZWSCLMGLXZTHLN-CYBMUJFWSA-N 2 0 257.422 1.467 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2(O)CCCC2)[C@@H]2CCC[C@H]21 ZINC000671747475 482543328 /nfs/dbraw/zinc/54/33/28/482543328.db2.gz ZUHROXDNTXRLFY-MELADBBJSA-N 2 0 252.402 1.754 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCC[NH+](C)C2)C[N@@H+]1C1CC1 ZINC000674700550 482564787 /nfs/dbraw/zinc/56/47/87/482564787.db2.gz UYPFPQMUIJHKTN-UPJWGTAASA-N 2 0 280.416 1.005 10 0 CDAERP CO[C@@H]1CCC[C@H]([NH2+]CCCN2CCC[N@H+](C)CC2)C1 ZINC000684535547 482598289 /nfs/dbraw/zinc/59/82/89/482598289.db2.gz RGDHRFLGMANANT-JKSUJKDBSA-N 2 0 283.460 1.561 10 0 CDAERP CN(CCC[NH+](C)C)CCNC(=O)Nc1ccsc1 ZINC000666314374 482651162 /nfs/dbraw/zinc/65/11/62/482651162.db2.gz PRBSNQCXOJABOE-UHFFFAOYSA-N 2 0 284.429 1.753 10 0 CDAERP C[C@@H]1CC[C@@H]([NH2+]CCCC[NH+]2CCOCC2)CS1 ZINC000655692336 482668635 /nfs/dbraw/zinc/66/86/35/482668635.db2.gz OSKKHOZHBYAACE-ZIAGYGMSSA-N 2 0 272.458 1.973 10 0 CDAERP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NC/C=C\C[NH3+])C1 ZINC000669310817 482686932 /nfs/dbraw/zinc/68/69/32/482686932.db2.gz ZYRIWEBZGRJDPQ-JHZNUDOXSA-N 2 0 282.432 1.169 10 0 CDAERP C[C@H](NC(=O)NC/C=C/C[NH3+])[C@H](c1ccccc1)[NH+](C)C ZINC000669583407 482818629 /nfs/dbraw/zinc/81/86/29/482818629.db2.gz WBGWYKWICZQFOX-KIMFYNOWSA-N 2 0 290.411 1.492 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000666720049 482875307 /nfs/dbraw/zinc/87/53/07/482875307.db2.gz KEPPETFLOVMWSA-BBRMVZONSA-N 2 0 277.412 1.549 10 0 CDAERP CCCN(C(=O)N[C@@H]1CCC[N@H+](C)C1)C1CC[NH2+]CC1 ZINC000669403270 482888220 /nfs/dbraw/zinc/88/82/20/482888220.db2.gz QVOVWLFRLHEXAG-CYBMUJFWSA-N 2 0 282.432 1.254 10 0 CDAERP CN(C(=O)N[C@@H]1CCC[N@H+](C)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000669403301 482888542 /nfs/dbraw/zinc/88/85/42/482888542.db2.gz SSCHNTILLTYIMB-RBKKPWLPSA-N 2 0 280.416 1.005 10 0 CDAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C1([NH3+])CCCC1 ZINC000261552336 482914744 /nfs/dbraw/zinc/91/47/44/482914744.db2.gz RDCCVDCSNFYAGO-AWEZNQCLSA-N 2 0 289.423 1.895 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054292474 483129903 /nfs/dbraw/zinc/12/99/03/483129903.db2.gz HJOQILSDZVJUSD-QWHCGFSZSA-N 2 0 255.406 1.223 10 0 CDAERP C[NH+](C)CCCOc1cnccc1C[NH2+]C1CSC1 ZINC000685475769 483143790 /nfs/dbraw/zinc/14/37/90/483143790.db2.gz ZFBMRSGXXOHJMN-UHFFFAOYSA-N 2 0 281.425 1.617 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000669469241 483180616 /nfs/dbraw/zinc/18/06/16/483180616.db2.gz IGJBJFQACBMYHP-KFWWJZLASA-N 2 0 296.459 1.691 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000682446998 483230567 /nfs/dbraw/zinc/23/05/67/483230567.db2.gz MPBHVGLAMRNADA-CYBMUJFWSA-N 2 0 270.421 1.064 10 0 CDAERP C(CC[NH+]1CCOCC1)C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000667787919 483428184 /nfs/dbraw/zinc/42/81/84/483428184.db2.gz CLIZFNHGZMYILR-QLFBSQMISA-N 2 0 252.402 1.877 10 0 CDAERP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]C1CSC1 ZINC000679841127 483450616 /nfs/dbraw/zinc/45/06/16/483450616.db2.gz PHUZEDOYCVMCCD-INIZCTEOSA-N 2 0 292.448 1.848 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+][C@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667929130 483482919 /nfs/dbraw/zinc/48/29/19/483482919.db2.gz SMHCJTCJDQHEJU-HZPDHXFCSA-N 2 0 281.444 1.171 10 0 CDAERP C[NH+]1CCN(C(C)(C)C[NH2+]CC2(C)CCC2)CC1 ZINC000683435303 483521556 /nfs/dbraw/zinc/52/15/56/483521556.db2.gz RRKSDBNFJKYEDR-UHFFFAOYSA-N 2 0 253.434 1.792 10 0 CDAERP C[C@@H]1CN(CCC[NH2+][C@@H]2CO[C@@H](C3CC3)C2)CCCO1 ZINC000668063981 483551514 /nfs/dbraw/zinc/55/15/14/483551514.db2.gz BSGHLRURGMCLCU-VNQPRFMTSA-N 2 0 282.428 1.644 10 0 CDAERP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322857591 483552091 /nfs/dbraw/zinc/55/20/91/483552091.db2.gz SXZJFLAWPCKNOW-RKFYDKJMSA-N 2 0 265.401 1.116 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC000676696440 483563084 /nfs/dbraw/zinc/56/30/84/483563084.db2.gz ZIUGNEYDPGHWDX-UKRRQHHQSA-N 2 0 279.428 1.604 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](CCCO)C1CC1 ZINC000680329971 483584335 /nfs/dbraw/zinc/58/43/35/483584335.db2.gz XPAVGOIKYSWJSK-UHFFFAOYSA-N 2 0 286.379 1.923 10 0 CDAERP CC(C)[NH2+]CCCC(=O)N[C@H](C[NH+](C)C)C(C)C ZINC000049220855 519720716 /nfs/dbraw/zinc/72/07/16/519720716.db2.gz APOSPAAFTLNLRZ-CYBMUJFWSA-N 2 0 257.422 1.467 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000055088230 519724992 /nfs/dbraw/zinc/72/49/92/519724992.db2.gz PPWVALCYTMZWOX-UONOGXRCSA-N 2 0 267.417 1.304 10 0 CDAERP CC(C)C[NH2+]CC[C@H](C)N1CCN(CC[NH+](C)C)CC1 ZINC000061655031 519744505 /nfs/dbraw/zinc/74/45/05/519744505.db2.gz JMJFPUDBBONDHO-INIZCTEOSA-N 2 0 284.492 1.190 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@@H](C[NH+]2CCC(OCC)CC2)O1 ZINC000052484082 519978239 /nfs/dbraw/zinc/97/82/39/519978239.db2.gz JJCRQXWTWMJFNM-CABCVRRESA-N 2 0 270.417 1.644 10 0 CDAERP CCC[NH2+][C@@H](C)CCCC[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061643815 519984770 /nfs/dbraw/zinc/98/47/70/519984770.db2.gz LTZFLCQRKYHUTA-KRWDZBQOSA-N 3 0 298.519 1.724 10 0 CDAERP CCC[NH2+][C@@](CO)(CN(C)[C@@H]1CCC[N@H+](C)C1)C1CC1 ZINC000070334755 520055146 /nfs/dbraw/zinc/05/51/46/520055146.db2.gz YARUQWFVHYGPRE-HZPDHXFCSA-N 2 0 283.460 1.153 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)[C@H]2C[C@H]([NH3+])CC[C@@H]2C)CC1 ZINC000055129391 521556733 /nfs/dbraw/zinc/55/67/33/521556733.db2.gz GVDGRHZYIAJBMA-GUTXKFCHSA-N 2 0 281.444 1.693 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]CCCF ZINC001715214489 1179580030 /nfs/dbraw/zinc/58/00/30/1179580030.db2.gz HMDFUMVSYQFAHK-CYBMUJFWSA-N 2 0 273.396 1.267 10 0 CDAERP C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC[NH+](CCF)CC1 ZINC001411237351 1161985760 /nfs/dbraw/zinc/98/57/60/1161985760.db2.gz PQYINXULQAKQOM-ZIAGYGMSSA-N 2 0 299.434 1.514 10 0 CDAERP CC(C)(C)[NH+]1CCN(C(=O)CC[C@@H]2CCCC[NH2+]2)CC1 ZINC000050950945 518707993 /nfs/dbraw/zinc/70/79/93/518707993.db2.gz NCVVFHRFCOPVTG-AWEZNQCLSA-N 2 0 281.444 1.851 10 0 CDAERP CC(C)(C)[NH2+]Cc1cn(CC[NH+]2CCCCC2)nn1 ZINC000052421238 518765986 /nfs/dbraw/zinc/76/59/86/518765986.db2.gz OYWSOWUBCUMJQN-UHFFFAOYSA-N 2 0 265.405 1.652 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000067592252 519612571 /nfs/dbraw/zinc/61/25/71/519612571.db2.gz RIHDPIGDWVBKRH-MRXNPFEDSA-N 2 0 291.439 1.616 10 0 CDAERP CC(C)[NH2+]C[C@H](C(C)C)N1CC[NH+](C2CC2)CC1 ZINC000052371227 519724244 /nfs/dbraw/zinc/72/42/44/519724244.db2.gz DGRBAQPTKVVJEO-OAHLLOKOSA-N 2 0 253.434 1.789 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000055139162 519814205 /nfs/dbraw/zinc/81/42/05/519814205.db2.gz IAGIFRMICPLXCN-RDBSUJKOSA-N 2 0 269.433 1.596 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000236771401 519843000 /nfs/dbraw/zinc/84/30/00/519843000.db2.gz DICSCQYTECPQHW-GJZGRUSLSA-N 2 0 281.444 1.742 10 0 CDAERP CCC[NH+]1CCN(Cc2csc(C[NH2+]C)n2)CC1 ZINC000052421681 519859114 /nfs/dbraw/zinc/85/91/14/519859114.db2.gz ZQLYJKNAWXDXGC-UHFFFAOYSA-N 2 0 268.430 1.390 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000061293876 519904399 /nfs/dbraw/zinc/90/43/99/519904399.db2.gz FJSHMNAPQAKRSH-UHFFFAOYSA-N 2 0 269.433 1.754 10 0 CDAERP CC[NH2+]CC1(C[N@H+](C)C[C@H]2CCCO2)CCOCC1 ZINC000052182971 519911581 /nfs/dbraw/zinc/91/15/81/519911581.db2.gz NTMGEBOYFFFBBR-CQSZACIVSA-N 2 0 270.417 1.504 10 0 CDAERP CC[NH2+]CCC(=O)N1CC[NH+](CCC(C)C)CC1 ZINC000061296464 519915881 /nfs/dbraw/zinc/91/58/81/519915881.db2.gz LFCBTGKXQJUUSY-UHFFFAOYSA-N 2 0 255.406 1.176 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](CCC)CCN(C)C)O1 ZINC000052544261 519925575 /nfs/dbraw/zinc/92/55/75/519925575.db2.gz CMMJECBNQCOHMR-HOTGVXAUSA-N 2 0 285.476 1.807 10 0 CDAERP CCOC[C@@H](O)C[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000069277589 520101425 /nfs/dbraw/zinc/10/14/25/520101425.db2.gz LNCNMKJPNHHKOC-HNNXBMFYSA-N 2 0 272.433 1.628 10 0 CDAERP CCC[NH2+][C@](C)(C[C@H](C)N1CCC([NH+](C)C)CC1)C(N)=O ZINC000068625318 520114543 /nfs/dbraw/zinc/11/45/43/520114543.db2.gz RFAINWPIUPKOPF-XJKSGUPXSA-N 2 0 298.475 1.035 10 0 CDAERP CC1(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC[NH2+]CC1 ZINC000062973347 520220120 /nfs/dbraw/zinc/22/01/20/520220120.db2.gz VYAYQIBQNUKFBI-AWEZNQCLSA-N 2 0 279.428 1.463 10 0 CDAERP CC[NH+](CC)CCOCCn1cc(C[NH2+]C(C)C)nn1 ZINC000052671863 520693986 /nfs/dbraw/zinc/69/39/86/520693986.db2.gz PSIZOCXJZYZUFK-UHFFFAOYSA-N 2 0 283.420 1.135 10 0 CDAERP CC[N@@H+]1CC[C@@H](CNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000055130340 521710004 /nfs/dbraw/zinc/71/00/04/521710004.db2.gz LSZUOABBNIMNQE-IHRRRGAJSA-N 2 0 267.417 1.352 10 0 CDAERP CC[N@@H+]1CC[C@@H](CNCC[C@@H]2CCCC[NH+]2C)C1 ZINC000052205595 521710731 /nfs/dbraw/zinc/71/07/31/521710731.db2.gz YLOSZYQSFATCLG-GJZGRUSLSA-N 2 0 253.434 1.792 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)c2coc(C[NH3+])c2)[C@H](C)C1 ZINC000188234080 521712586 /nfs/dbraw/zinc/71/25/86/521712586.db2.gz KOFXVYMBUIRBFA-BXUZGUMPSA-N 2 0 279.384 1.541 10 0 CDAERP CN(C)C[C@@H]1CCC[N@@H+]1CCCOc1cccc(C[NH3+])c1 ZINC000061642510 521837663 /nfs/dbraw/zinc/83/76/63/521837663.db2.gz CDXRGRRJAJCWSB-INIZCTEOSA-N 2 0 291.439 1.940 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)Nc1cccc(C[NH3+])c1 ZINC000061653599 521863398 /nfs/dbraw/zinc/86/33/98/521863398.db2.gz KTDMUMFZQYRDDH-CQSZACIVSA-N 2 0 276.384 1.703 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)c1cccc(C[NH3+])c1 ZINC000061642267 521866017 /nfs/dbraw/zinc/86/60/17/521866017.db2.gz MCMKZFGIMLGHHO-CQSZACIVSA-N 2 0 261.369 1.312 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1[C@@H](C[NH3+])c1cccc(F)c1 ZINC000061642111 521873529 /nfs/dbraw/zinc/87/35/29/521873529.db2.gz BYMUTYDCRMMIKC-CABCVRRESA-N 2 0 265.376 1.852 10 0 CDAERP C[NH2+]C(C)(C)C(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000061316958 521933573 /nfs/dbraw/zinc/93/35/73/521933573.db2.gz DBHMKAZFPHPFLF-UHFFFAOYSA-N 2 0 277.412 1.575 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)CC2CC[NH2+]CC2)CC1 ZINC000055077634 522110007 /nfs/dbraw/zinc/11/00/07/522110007.db2.gz GNPFBHACLHMPOX-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(c2cccc(C[NH2+]C)n2)CC1 ZINC000055073529 522134916 /nfs/dbraw/zinc/13/49/16/522134916.db2.gz OAJVAGYVRTWUCM-CYBMUJFWSA-N 2 0 262.401 1.722 10 0 CDAERP CC[C@H](CCO)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353528791 522146305 /nfs/dbraw/zinc/14/63/05/522146305.db2.gz HZWYUSSDPQZSEE-TUVASFSCSA-N 2 0 254.418 1.857 10 0 CDAERP C[NH2+]Cc1nc(CN(C)C2CC[NH+](C)CC2)cs1 ZINC000052419738 522151557 /nfs/dbraw/zinc/15/15/57/522151557.db2.gz WAGIGGZUSFZCRW-UHFFFAOYSA-N 2 0 268.430 1.389 10 0 CDAERP C[NH2+]Cc1oc(C[N@H+](CCOC)[C@H](C)COC)cc1C ZINC000052572468 522162187 /nfs/dbraw/zinc/16/21/87/522162187.db2.gz OZSJWIYNWCRFPR-CYBMUJFWSA-N 2 0 284.400 1.791 10 0 CDAERP CC[C@H]([NH3+])[C@H](c1cnn(C)c1)N1CC[C@H]([NH+](CC)CC)C1 ZINC000062977091 522347412 /nfs/dbraw/zinc/34/74/12/522347412.db2.gz XVSFMUZLTRVUGJ-JYJNAYRXSA-N 2 0 293.459 1.615 10 0 CDAERP CCc1nc(N2CCC([NH+](C)C)CC2)sc1C[NH3+] ZINC000054997447 522384153 /nfs/dbraw/zinc/38/41/53/522384153.db2.gz WBONCNYQHYDNDO-UHFFFAOYSA-N 2 0 268.430 1.695 10 0 CDAERP CC[C@@H]([NH3+])Cc1cnc(CC[NH+](CC)CC)nc1 ZINC000054858065 522644825 /nfs/dbraw/zinc/64/48/25/522644825.db2.gz RFDUWUNODJJCEX-CYBMUJFWSA-N 2 0 250.390 1.641 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1)C1CCCC1 ZINC000221672240 522858566 /nfs/dbraw/zinc/85/85/66/522858566.db2.gz LDCSPQJBAXULIK-QWHCGFSZSA-N 2 0 267.417 1.495 10 0 CDAERP C[N@H+](CCn1cc(C[NH2+]C(C)(C)C)nn1)C1CC1 ZINC000052445415 522999431 /nfs/dbraw/zinc/99/94/31/522999431.db2.gz VCEPOFVOMWCEMA-UHFFFAOYSA-N 2 0 251.378 1.260 10 0 CDAERP CN1CCC([N@H+](C)C[C@@H]2CC[C@@H](C[NH2+]C(C)(C)C)O2)CC1 ZINC000052419924 523078437 /nfs/dbraw/zinc/07/84/37/523078437.db2.gz ZQRXAVIYYDFOLT-HOTGVXAUSA-N 2 0 297.487 1.948 10 0 CDAERP COCCC[N@H+](CCOC)[C@H](C)CCC[NH2+]C1CC1 ZINC000052543283 523257326 /nfs/dbraw/zinc/25/73/26/523257326.db2.gz BOACQFCWBWCZGD-CQSZACIVSA-N 2 0 272.433 1.892 10 0 CDAERP CC[C@@H]1CC[C@@H]([NH3+])[C@H](N(C)C2CC[NH+](C)CC2)C1 ZINC000052684830 523352437 /nfs/dbraw/zinc/35/24/37/523352437.db2.gz ZRTWJAPWFKCKRL-BPLDGKMQSA-N 2 0 253.434 1.918 10 0 CDAERP CCn1cc(CN2CCC[N@H+](CCCC[NH3+])CC2)cn1 ZINC000050539190 523371513 /nfs/dbraw/zinc/37/15/13/523371513.db2.gz JHKZTDYTVQMLFN-UHFFFAOYSA-N 2 0 279.432 1.150 10 0 CDAERP COCC[N@H+](C)CCn1c(C)cc2c1CCC[C@@H]2[NH3+] ZINC000061380796 523615757 /nfs/dbraw/zinc/61/57/57/523615757.db2.gz RPEPOBCAOALRPN-AWEZNQCLSA-N 2 0 265.401 1.711 10 0 CDAERP COCC[N@H+](Cc1cc(C[NH3+])co1)[C@H](C)COC ZINC000052572385 523740187 /nfs/dbraw/zinc/74/01/87/523740187.db2.gz ZWTGFRSVLGPAHZ-LLVKDONJSA-N 2 0 256.346 1.222 10 0 CDAERP CN(C(=O)c1ccc2c[nH+]cn2c1)[C@@H]1C[NH+]2CCC1CC2 ZINC000339935857 523940940 /nfs/dbraw/zinc/94/09/40/523940940.db2.gz XSFJSYLCMYLBRG-OAHLLOKOSA-N 2 0 284.363 1.501 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C2(C[NH3+])CC[NH+](CC)CC2)CC1 ZINC000055064704 523952924 /nfs/dbraw/zinc/95/29/24/523952924.db2.gz HZPRETVRDDIUKV-HNNXBMFYSA-N 3 0 282.476 1.216 10 0 CDAERP CC[C@H](C)[NH+]1CCN(CC[NH2+][C@H](C)[C@@H]2CCCO2)CC1 ZINC000055075444 523954367 /nfs/dbraw/zinc/95/43/67/523954367.db2.gz AULOYGHAGVFAGC-XHSDSOJGSA-N 2 0 283.460 1.560 10 0 CDAERP CC[C@H](C)[NH+]1CCN([C@@H](C[NH3+])c2ccccn2)CC1 ZINC000055063679 523957658 /nfs/dbraw/zinc/95/76/58/523957658.db2.gz MSJDPBDCZSEPJF-ZFWWWQNUSA-N 2 0 262.401 1.498 10 0 CDAERP C[NH+](C)C1CCN(C[C@@H]2CC[C@H](C[NH2+]C(C)(C)C)O2)CC1 ZINC000052477812 524040215 /nfs/dbraw/zinc/04/02/15/524040215.db2.gz CLWYEYSACUUIQK-CVEARBPZSA-N 2 0 297.487 1.948 10 0 CDAERP C[NH+](C)C1CCN(CC[NH2+]CC2CCCC2)CC1 ZINC000053382918 524040328 /nfs/dbraw/zinc/04/03/28/524040328.db2.gz OKPXCYNBBZDWBP-UHFFFAOYSA-N 2 0 253.434 1.792 10 0 CDAERP C[NH+](C)CC(C)(C)CNC(=O)c1c[nH+]c(NN)c(Cl)c1 ZINC000051089783 524046396 /nfs/dbraw/zinc/04/63/96/524046396.db2.gz CPMPEFIMFMWOFU-UHFFFAOYSA-N 2 0 299.806 1.338 10 0 CDAERP Cc1cc(C)c(C[NH3+])c(N2CC[NH+](C3CC3)CC2)n1 ZINC000048989688 524261476 /nfs/dbraw/zinc/26/14/76/524261476.db2.gz AZJFIUIGNGSBHE-UHFFFAOYSA-N 2 0 260.385 1.442 10 0 CDAERP C[C@@H]1CCC[C@@H](C(=O)N2CCC[C@@H]2C[NH+](C)C)[C@@H]1[NH3+] ZINC000061656196 524264476 /nfs/dbraw/zinc/26/44/76/524264476.db2.gz BUYFAHHGJGBDGA-AAVRWANBSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@@H]1CCC[C@H](C(=O)N(C)C2CC[NH+](C)CC2)[C@@H]1[NH3+] ZINC000055123266 524342884 /nfs/dbraw/zinc/34/28/84/524342884.db2.gz QEJILMXSICFNNH-KWCYVHTRSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@@H]1CCC[C@H](C(=O)NCC(C)(C)C[NH+](C)C)[C@@H]1[NH3+] ZINC000055125300 524345916 /nfs/dbraw/zinc/34/59/16/524345916.db2.gz YUSHYHKFNOGGGS-FRRDWIJNSA-N 2 0 269.433 1.454 10 0 CDAERP C[C@H]1C[C@H]([NH3+])CC[C@@H]1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000055132665 524904461 /nfs/dbraw/zinc/90/44/61/524904461.db2.gz SNQJDCTWSLRDDY-LZWOXQAQSA-N 2 0 293.455 1.837 10 0 CDAERP C[C@@H]([NH3+])c1ccc(NC(=O)NCC[N@H+](C)C2CC2)cc1 ZINC000062011564 525028081 /nfs/dbraw/zinc/02/80/81/525028081.db2.gz XCSBGOCYRCYVAN-LLVKDONJSA-N 2 0 276.384 1.922 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000227456864 525083874 /nfs/dbraw/zinc/08/38/74/525083874.db2.gz XADBYQSQLSHMMC-UNEWFSDZSA-N 2 0 287.407 1.556 10 0 CDAERP C[C@@H]1C[C@@H](C(=O)N2CC[NH+](C(C)(C)C)CC2)CC[C@@H]1[NH3+] ZINC000055141062 525183263 /nfs/dbraw/zinc/18/32/63/525183263.db2.gz DKMIENXAINESFO-RDBSUJKOSA-N 2 0 281.444 1.693 10 0 CDAERP c1csc(N2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000051919397 526583887 /nfs/dbraw/zinc/58/38/87/526583887.db2.gz DLKVGYWCKYNCCD-ZDUSSCGKSA-N 2 0 280.441 1.655 10 0 CDAERP NC(=[NH2+])c1cccc(C[N@H+](CCO)Cc2ccccc2)c1 ZINC000050514489 526824460 /nfs/dbraw/zinc/82/44/60/526824460.db2.gz PROBFRDUEUVBFM-UHFFFAOYSA-N 2 0 283.375 1.965 10 0 CDAERP O=C(C[C@H]1CC[NH2+]C1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000227712910 527171498 /nfs/dbraw/zinc/17/14/98/527171498.db2.gz YZPSDAVJGVPSLT-HZPDHXFCSA-N 2 0 287.407 1.377 10 0 CDAERP NNc1[nH+]cccc1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000062035174 527288611 /nfs/dbraw/zinc/28/86/11/527288611.db2.gz QLHNHSFKZSNIOL-UHFFFAOYSA-N 2 0 289.427 1.675 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000223388380 527359124 /nfs/dbraw/zinc/35/91/24/527359124.db2.gz YXEKDQDDKACQLG-BZUAXINKSA-N 2 0 287.407 1.505 10 0 CDAERP [NH3+][C@@](CO)(CN1CC[C@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000070336384 527379014 /nfs/dbraw/zinc/37/90/14/527379014.db2.gz NDXIMBWVCXWRIA-DLBZAZTESA-N 2 0 289.423 1.003 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261773317 535545064 /nfs/dbraw/zinc/54/50/64/535545064.db2.gz OOGXSISGNMOTGP-BFHYXJOUSA-N 2 0 267.417 1.447 10 0 CDAERP CC[NH+](CC)Cc1ccc(CNC(=O)C2C[NH2+]C2)cc1 ZINC000091408639 535603821 /nfs/dbraw/zinc/60/38/21/535603821.db2.gz NXDMWWAORYMGNC-UHFFFAOYSA-N 2 0 275.396 1.364 10 0 CDAERP CC[C@@H]([NH2+]CCC[NH3+])c1ccc2c(c1)OCCO2 ZINC000423183954 535803722 /nfs/dbraw/zinc/80/37/22/535803722.db2.gz SRESLGGCOSDQPJ-GFCCVEGCSA-N 2 0 250.342 1.847 10 0 CDAERP CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188723824 535848430 /nfs/dbraw/zinc/84/84/30/535848430.db2.gz JJYLRTBLHXFRRL-IINYFYTJSA-N 2 0 261.369 1.279 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCN(C)C1CCCC1 ZINC000234717827 536595124 /nfs/dbraw/zinc/59/51/24/536595124.db2.gz JEZHVQDPVWIJNU-CYBMUJFWSA-N 2 0 257.422 1.204 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000422838801 536596558 /nfs/dbraw/zinc/59/65/58/536596558.db2.gz YECIUXYDVGANAH-HZPDHXFCSA-N 2 0 291.439 1.856 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](c1cccs1)N(C)C ZINC000234727343 536596915 /nfs/dbraw/zinc/59/69/15/536596915.db2.gz FXZDSDKKINEGDW-OLZOCXBDSA-N 2 0 285.457 1.694 10 0 CDAERP COC[C@@H](O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000178393827 536730919 /nfs/dbraw/zinc/73/09/19/536730919.db2.gz HSAYLFJCFXHSAX-WBVHZDCISA-N 2 0 298.471 1.970 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000234790680 536850677 /nfs/dbraw/zinc/85/06/77/536850677.db2.gz UHTSQCQIPGIXBA-GJZGRUSLSA-N 3 0 271.449 1.452 10 0 CDAERP O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000169815953 538154142 /nfs/dbraw/zinc/15/41/42/538154142.db2.gz ODZKPJHIMAWVFU-ZIAGYGMSSA-N 2 0 279.428 1.509 10 0 CDAERP CC[NH+](CC)CCO[C@H]1CC[N@H+](C/C=C(/C)C(=O)OC)C1 ZINC000748823491 576928126 /nfs/dbraw/zinc/92/81/26/576928126.db2.gz AKGSZGVJKBBHTQ-GSHXUFRSSA-N 2 0 298.427 1.538 10 0 CDAERP Cc1ccc(NC(=O)N[C@@H]2CCC[N@H+](C)C2)c(N(C)C)n1 ZINC000750403285 576986872 /nfs/dbraw/zinc/98/68/72/576986872.db2.gz HFGWEAPJRLHRQH-GFCCVEGCSA-N 2 0 291.399 1.672 10 0 CDAERP CC[N@H+](CCF)CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001689965166 1175324780 /nfs/dbraw/zinc/32/47/80/1175324780.db2.gz KBFYBJIGWGZNLD-ZDUSSCGKSA-N 2 0 273.396 1.126 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCOC23CCOCC3)C1 ZINC000926665679 617425202 /nfs/dbraw/zinc/42/52/02/617425202.db2.gz KDNBKFFFMPPKBZ-HZSPNIEDSA-N 2 0 268.401 1.254 10 0 CDAERP Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925580963 617529418 /nfs/dbraw/zinc/52/94/18/617529418.db2.gz PDHKEMJAHNXHGX-QWHCGFSZSA-N 2 0 291.395 1.567 10 0 CDAERP C[C@@H](Cc1ccccn1)[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000926779613 617561373 /nfs/dbraw/zinc/56/13/73/617561373.db2.gz XQTZCLKRDUJRCY-ZFWWWQNUSA-N 2 0 277.412 1.447 10 0 CDAERP COCC1(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)CCOCC1 ZINC000925672533 617632313 /nfs/dbraw/zinc/63/23/13/617632313.db2.gz IAZHQOISRLOFQC-STQMWFEESA-N 2 0 268.401 1.289 10 0 CDAERP C[NH+](C)CCOCC[NH2+][C@H](C1CC1)[C@H]1CCCOC1 ZINC000926252916 617632480 /nfs/dbraw/zinc/63/24/80/617632480.db2.gz FLZFFYOEZAVUFK-LSDHHAIUSA-N 2 0 270.417 1.359 10 0 CDAERP C[NH+](C)C[C@H]1CC[N@H+](CC[C@H]2COC(C)(C)O2)C1 ZINC000851771672 617645051 /nfs/dbraw/zinc/64/50/51/617645051.db2.gz MAFGQZAHHCNROL-OLZOCXBDSA-N 2 0 256.390 1.412 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CC(=O)N(CC2CC2)C1 ZINC000925772622 617646053 /nfs/dbraw/zinc/64/60/53/617646053.db2.gz TUAYRQVNBUJJOO-COJVXZESSA-N 2 0 277.412 1.103 10 0 CDAERP C(C[C@H]1CC[NH2+]C1)[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000925694673 617713816 /nfs/dbraw/zinc/71/38/16/617713816.db2.gz RVYUKNSAYPCFGL-LXTVHRRPSA-N 2 0 252.402 1.781 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@H]2CCc3cc(F)ccc32)CC1 ZINC000925809007 617750512 /nfs/dbraw/zinc/75/05/12/617750512.db2.gz GQPJJKUKFBJJFF-INIZCTEOSA-N 2 0 277.387 1.826 10 0 CDAERP COc1ccc([C@H](C)[NH2+]CCN2CCC([NH3+])CC2)c(F)c1 ZINC000925810385 617752808 /nfs/dbraw/zinc/75/28/08/617752808.db2.gz MXTIADNKIXBKBY-LBPRGKRZSA-N 2 0 295.402 1.908 10 0 CDAERP CCC1(CC)[C@H]([NH2+]CCN2CCC([NH3+])CC2)C[C@H]1OC ZINC000925813873 617761131 /nfs/dbraw/zinc/76/11/31/617761131.db2.gz CWTWDLKLGCSBRA-HUUCEWRRSA-N 2 0 283.460 1.593 10 0 CDAERP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccccc1N(C)C ZINC000925815608 617768905 /nfs/dbraw/zinc/76/89/05/617768905.db2.gz SEIJQXSOYFPIER-AWEZNQCLSA-N 2 0 290.455 1.826 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC000925825522 617808159 /nfs/dbraw/zinc/80/81/59/617808159.db2.gz GAVDNRPPFSNDGA-CHWSQXEVSA-N 2 0 268.401 1.025 10 0 CDAERP CC1(C)[C@@H]([NH2+][C@H]2CC23CC[NH2+]CC3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925713744 617819448 /nfs/dbraw/zinc/81/94/48/617819448.db2.gz YQQVJFOLOPVETH-RFGFWPKPSA-N 2 0 263.429 1.495 10 0 CDAERP C[C@H](C[NH2+][C@H](C1CCC1)[C@H]1CCOC1)C[NH+](C)C ZINC000926472564 617861183 /nfs/dbraw/zinc/86/11/83/617861183.db2.gz KLTZRGXDMQRFCP-VHDGCEQUSA-N 2 0 254.418 1.979 10 0 CDAERP COC(=O)C1=CC[C@H]([NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925722382 617863280 /nfs/dbraw/zinc/86/32/80/617863280.db2.gz HNBZKBGBZUJGAB-AVGNSLFASA-N 2 0 266.385 1.744 10 0 CDAERP Cc1nccnc1CC[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000926491634 617899247 /nfs/dbraw/zinc/89/92/47/617899247.db2.gz YSVAISXOUJSUGH-CVEARBPZSA-N 2 0 274.412 1.934 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[NH2+]C2CCN(Cc3ccncc3)CC2)C1 ZINC000925875672 617946725 /nfs/dbraw/zinc/94/67/25/617946725.db2.gz LQUGERJGAAMYLY-JKSUJKDBSA-N 2 0 288.439 1.763 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCC[C@@H](CO)C1 ZINC000926593833 618142372 /nfs/dbraw/zinc/14/23/72/618142372.db2.gz ABILVIDHRFNSJE-HHHGZCDHSA-N 2 0 252.402 1.467 10 0 CDAERP CC[C@@H](C[C@@](C)(O)CC)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000924966923 618483496 /nfs/dbraw/zinc/48/34/96/618483496.db2.gz RMSSZQIXRQWSSO-IRXDYDNUSA-N 2 0 299.503 1.933 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](C)[C@H]2C)C[C@H]1C ZINC000925323694 621538120 /nfs/dbraw/zinc/53/81/20/621538120.db2.gz AANUMNKYSZXYAS-CBBWQLFWSA-N 2 0 296.459 1.593 10 0 CDAERP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)C(C)(C)CO ZINC000924629471 621601348 /nfs/dbraw/zinc/60/13/48/621601348.db2.gz POLMVFKIIIEGDO-ZDUSSCGKSA-N 2 0 271.449 1.009 10 0 CDAERP C([NH2+][C@H]1CCOC12CCOCC2)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000924649453 621633028 /nfs/dbraw/zinc/63/30/28/621633028.db2.gz OUFSXAKOGDXZEG-ZFWWWQNUSA-N 2 0 280.412 1.398 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH+](C)C)C12CCC2)[NH+](C)C ZINC000898836696 621887414 /nfs/dbraw/zinc/88/74/14/621887414.db2.gz ZHNBHLKOSFAHCV-IHRRRGAJSA-N 2 0 281.444 1.562 10 0 CDAERP CCO[C@@H](CC[NH+](C)C)CNC(=[NH2+])N[C@H](C)C1CC1 ZINC000899271312 622135718 /nfs/dbraw/zinc/13/57/18/622135718.db2.gz VIZTZGCMEXLORX-YPMHNXCESA-N 2 0 270.421 1.256 10 0 CDAERP CC(C)(CNC(=O)C12CC[NH+](CC1)C2)[NH+]1CCCCC1 ZINC000899963444 622578465 /nfs/dbraw/zinc/57/84/65/622578465.db2.gz DNCZKBDGIMTZHO-UHFFFAOYSA-N 2 0 279.428 1.463 10 0 CDAERP c1cc2c(cc1-c1nc([C@@H]3CCC[NH2+]3)no1)OCC[NH2+]C2 ZINC000900008944 622627659 /nfs/dbraw/zinc/62/76/59/622627659.db2.gz CMJJSKFNLXZXOB-LBPRGKRZSA-N 2 0 286.335 1.643 10 0 CDAERP C([NH2+][C@H]1CCO[C@@]12CCOC2)C1CC[NH+](CC2CC2)CC1 ZINC000903205008 625898489 /nfs/dbraw/zinc/89/84/89/625898489.db2.gz AIKXNPROOKXLKP-DLBZAZTESA-N 2 0 294.439 1.646 10 0 CDAERP CN1C[C@H](CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CC1=O ZINC000903211177 625903986 /nfs/dbraw/zinc/90/39/86/625903986.db2.gz BBENPQOXRGZHIS-TUVASFSCSA-N 2 0 279.428 1.317 10 0 CDAERP CNC(=O)c1ccc(C[N@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000903429600 625989413 /nfs/dbraw/zinc/98/94/13/625989413.db2.gz IPHWBSZGPIPSSE-HIFRSBDPSA-N 2 0 275.396 1.605 10 0 CDAERP CC(C)C(=O)NC1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903430953 625990146 /nfs/dbraw/zinc/99/01/46/625990146.db2.gz KORANFDSKRVFOT-OLZOCXBDSA-N 2 0 267.417 1.350 10 0 CDAERP CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903435142 625991352 /nfs/dbraw/zinc/99/13/52/625991352.db2.gz PPJHPQNEYSHLJU-KFWWJZLASA-N 2 0 295.471 1.988 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)C1 ZINC000903434910 625991363 /nfs/dbraw/zinc/99/13/63/625991363.db2.gz MRPPSZBVBBKASZ-BFHYXJOUSA-N 2 0 265.401 1.201 10 0 CDAERP CCCNC(=O)[C@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903435907 625991521 /nfs/dbraw/zinc/99/15/21/625991521.db2.gz ZZQCPBSIGNQGHN-RDBSUJKOSA-N 2 0 267.417 1.352 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CC[NH2+]C[C@H]1c1ccccc1 ZINC000903458630 625994377 /nfs/dbraw/zinc/99/43/77/625994377.db2.gz FWJAFQWOLYKESF-KBMXLJTQSA-N 2 0 259.397 1.488 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000903459522 625994717 /nfs/dbraw/zinc/99/47/17/625994717.db2.gz UZMPHRXYSBQVAJ-XLNGHYISSA-N 2 0 273.424 1.877 10 0 CDAERP [NH3+][C@@H]1CC[C@H](CN2CC[NH2+]C[C@H]2c2cccnc2)C1 ZINC000903449460 626000137 /nfs/dbraw/zinc/00/01/37/626000137.db2.gz BSSGDHKARKIBKZ-CFVMTHIKSA-N 2 0 260.385 1.155 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000903453713 626001007 /nfs/dbraw/zinc/00/10/07/626001007.db2.gz JLAIPMNHXNCFEK-FPCVCCKLSA-N 3 0 265.445 1.554 10 0 CDAERP CCOC(=O)N[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903455492 626002004 /nfs/dbraw/zinc/00/20/04/626002004.db2.gz WTILOFOTZGEANF-FRRDWIJNSA-N 2 0 269.389 1.324 10 0 CDAERP CC[N@H+](CCc1nccs1)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903457305 626002758 /nfs/dbraw/zinc/00/27/58/626002758.db2.gz QITBCTGTPPMBGS-NEPJUHHUSA-N 2 0 253.415 1.863 10 0 CDAERP COC(=O)CCCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903481806 626006476 /nfs/dbraw/zinc/00/64/76/626006476.db2.gz NIKXMSWWCUFYML-LBPRGKRZSA-N 2 0 254.374 1.594 10 0 CDAERP CC(C)N1CCC[C@@H]([N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)C1=O ZINC000903496741 626012023 /nfs/dbraw/zinc/01/20/23/626012023.db2.gz BBWQJRSTUWEPGR-MGPQQGTHSA-N 2 0 267.417 1.303 10 0 CDAERP C([NH2+]C1CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1)C1CC1 ZINC000903716893 626061799 /nfs/dbraw/zinc/06/17/99/626061799.db2.gz DHIHSSCUIGIGAR-IRXDYDNUSA-N 2 0 293.455 1.219 10 0 CDAERP C([C@@H]1CCOC1)[N@H+](C[C@H]1CCCC[NH2+]C1)C1CC1 ZINC000903724703 626065321 /nfs/dbraw/zinc/06/53/21/626065321.db2.gz QLIUOZPDMMJPFS-KBPBESRZSA-N 2 0 252.402 1.877 10 0 CDAERP CCOCC[N@H+](CC)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903888405 626123924 /nfs/dbraw/zinc/12/39/24/626123924.db2.gz BCZBTNRUUCDYOK-AWEZNQCLSA-N 2 0 282.432 1.204 10 0 CDAERP CC1(C)CC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903891456 626124742 /nfs/dbraw/zinc/12/47/42/626124742.db2.gz AIFUHRZKJCFLCF-GFCCVEGCSA-N 2 0 263.389 1.435 10 0 CDAERP CCC[C@H]1CN(C[C@H](C[NH3+])Cc2cnn(C)c2C)CCO1 ZINC000903895849 626135741 /nfs/dbraw/zinc/13/57/41/626135741.db2.gz QRLQEWKJGLYTLR-HOCLYGCPSA-N 2 0 294.443 1.347 10 0 CDAERP COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903915632 626137627 /nfs/dbraw/zinc/13/76/27/626137627.db2.gz OZZHSAPEEFWDFW-MNFFZHCASA-N 2 0 280.412 1.791 10 0 CDAERP COC[C@@](C)(CC(=O)OC)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903905233 626140544 /nfs/dbraw/zinc/14/05/44/626140544.db2.gz BHJOKGTZZLPIQZ-VYHDIPPYSA-N 2 0 284.400 1.075 10 0 CDAERP CCOC(=O)C[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCC1 ZINC000903910949 626144379 /nfs/dbraw/zinc/14/43/79/626144379.db2.gz TXTGQIKEQDRKSV-AGUYFDCRSA-N 2 0 280.412 1.935 10 0 CDAERP C[C@@H]1CC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CCS1 ZINC000903912940 626145487 /nfs/dbraw/zinc/14/54/87/626145487.db2.gz KOAPHOJUWBKFTQ-CHWSQXEVSA-N 2 0 295.456 1.530 10 0 CDAERP [NH3+][C@@H](C[NH2+][C@@H]1CNc2ccccc2C1)CC(F)F ZINC000903931199 626151584 /nfs/dbraw/zinc/15/15/84/626151584.db2.gz ARBHQJYWKHGAHD-MNOVXSKESA-N 2 0 255.312 1.595 10 0 CDAERP CC1([NH+]2CCOCC2)CCN(C[C@H]([NH3+])CC(F)F)CC1 ZINC000903935507 626153854 /nfs/dbraw/zinc/15/38/54/626153854.db2.gz QUFBKWGPNLZHFY-GFCCVEGCSA-N 2 0 291.386 1.156 10 0 CDAERP c1nnn([C@@H]2CCC[NH2+]C2)c1C[NH2+][C@]12C[C@H]1CCCC2 ZINC000903936085 626154276 /nfs/dbraw/zinc/15/42/76/626154276.db2.gz YBDTVZHXVAFLJY-UMVBOHGHSA-N 2 0 275.400 1.625 10 0 CDAERP COC(=O)C(C)(C)CC[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903978120 626169841 /nfs/dbraw/zinc/16/98/41/626169841.db2.gz FTOCVSMZGJJRGN-VXGBXAGGSA-N 2 0 256.390 1.492 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CNC1CC[NH+](C(C)(C)C)CC1 ZINC000903967759 626172201 /nfs/dbraw/zinc/17/22/01/626172201.db2.gz NNCOZGHCMMTXIK-OLZOCXBDSA-N 2 0 253.434 1.694 10 0 CDAERP CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](C[C@H]3CC[NH2+][C@@H](C)C3)C[C@@H]21 ZINC000903985916 626173785 /nfs/dbraw/zinc/17/37/85/626173785.db2.gz CUDGXCHSWBPYKY-SBJFKYEJSA-N 2 0 280.412 1.506 10 0 CDAERP C[C@@H](CNC(=[NH2+])NC[C@@H]1CCCS1)[N@H+](C)C1CC1 ZINC000905040699 626379853 /nfs/dbraw/zinc/37/98/53/626379853.db2.gz BFGMYVZCJHSXSO-JQWIXIFHSA-N 2 0 270.446 1.479 10 0 CDAERP CC[C@H](CNC(=[NH2+])NC[C@@H]1CCCS1)[NH+]1CCCC1 ZINC000905041535 626380980 /nfs/dbraw/zinc/38/09/80/626380980.db2.gz JRXBVXFIAVGAMK-OLZOCXBDSA-N 2 0 284.473 1.870 10 0 CDAERP C(C[C@@H]1CCC[NH2+]1)c1nc(CC2CC[NH2+]CC2)no1 ZINC000905315755 626745577 /nfs/dbraw/zinc/74/55/77/626745577.db2.gz XYQLVGTZKGNUBO-LBPRGKRZSA-N 2 0 264.373 1.296 10 0 CDAERP CC1(C)C[NH2+]C[C@H]1c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000905308059 626757496 /nfs/dbraw/zinc/75/74/96/626757496.db2.gz WDNLEHJGBWCFJP-LBPRGKRZSA-N 2 0 272.352 1.908 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC1CC([NH+](C)C)C1 ZINC000908010459 627971735 /nfs/dbraw/zinc/97/17/35/627971735.db2.gz ZEYVXZMGAJFDOT-OKZRHMCRSA-N 2 0 253.390 1.068 10 0 CDAERP CC[C@@H](C(=O)N[C@@H]1C[C@H]([NH+](C)C)C1(C)C)[NH+](C)C ZINC000911578887 629337075 /nfs/dbraw/zinc/33/70/75/629337075.db2.gz MJHGZRRSOOJKMP-TUAOUCFPSA-N 2 0 255.406 1.172 10 0 CDAERP CC[NH+](CC)CCCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000913852081 630839224 /nfs/dbraw/zinc/83/92/24/630839224.db2.gz FBCCJEHQXWAFJL-QWHCGFSZSA-N 2 0 270.421 1.110 10 0 CDAERP CC(C)[NH+](CCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC000913858836 630841820 /nfs/dbraw/zinc/84/18/20/630841820.db2.gz CMZWPGJEKJEQOU-ZIAGYGMSSA-N 2 0 284.448 1.497 10 0 CDAERP CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000925345306 633183320 /nfs/dbraw/zinc/18/33/20/633183320.db2.gz VAEUEYNZTLYNOS-HUUCEWRRSA-N 2 0 296.459 1.596 10 0 CDAERP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3cc[nH]c(=O)c3)C2)CC1 ZINC000921733852 633249065 /nfs/dbraw/zinc/24/90/65/633249065.db2.gz RDNBFDJIEXIQRV-CQSZACIVSA-N 2 0 290.411 1.045 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)CCC1SCCS1 ZINC000863554211 694858183 /nfs/dbraw/zinc/85/81/83/694858183.db2.gz TUUOSSUPKBZUSC-UHFFFAOYSA-N 2 0 264.460 1.350 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001670713085 1158714910 /nfs/dbraw/zinc/71/49/10/1158714910.db2.gz GMMDVXSTLNQTOL-OAHLLOKOSA-N 2 0 281.444 1.875 10 0 CDAERP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000925556831 693874587 /nfs/dbraw/zinc/87/45/87/693874587.db2.gz MOTZLHGTYWMLAR-IEHFGQBSSA-N 2 0 296.455 1.625 10 0 CDAERP CC[N@@H+](CC=C(C)C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001691047821 1158735897 /nfs/dbraw/zinc/73/58/97/1158735897.db2.gz KOPSRCCMABUUDO-HNNXBMFYSA-N 2 0 281.444 1.733 10 0 CDAERP CCOC(=O)C1CCC([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000925883355 693881935 /nfs/dbraw/zinc/88/19/35/693881935.db2.gz VOAMURREPIQXRE-ZIHBUVQPSA-N 2 0 268.401 1.825 10 0 CDAERP C[NH+]1CCC2(CC1)C[N@H+](C[C@@H]1CCC=CO1)CCO2 ZINC000843432301 694012533 /nfs/dbraw/zinc/01/25/33/694012533.db2.gz VNJMANSRMKOBPG-AWEZNQCLSA-N 2 0 266.385 1.476 10 0 CDAERP C[NH+](C)CC1CC[NH+](C[C@@H]2CCC3(COC3)O2)CC1 ZINC000929282663 694015459 /nfs/dbraw/zinc/01/54/59/694015459.db2.gz MCERFRDWWRIPJS-AWEZNQCLSA-N 2 0 268.401 1.208 10 0 CDAERP C[C@]1(c2nc([C@H]3CN4CCC[C@@H]4CO3)no2)CCC[NH2+]1 ZINC000091686357 694059466 /nfs/dbraw/zinc/05/94/66/694059466.db2.gz GAXZLWGOFLJLNT-JTNHKYCSSA-N 2 0 278.356 1.204 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCOC2CCOCC2)C1 ZINC000925877815 694066895 /nfs/dbraw/zinc/06/68/95/694066895.db2.gz MFRFJTZJCROKAX-STQMWFEESA-N 2 0 270.417 1.678 10 0 CDAERP Cn1nccc1CC[NH2+][C@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000796938257 694066407 /nfs/dbraw/zinc/06/64/07/694066407.db2.gz MMKNZSGAURLKCZ-QLFBSQMISA-N 2 0 262.401 1.425 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852864189 694077930 /nfs/dbraw/zinc/07/79/30/694077930.db2.gz ZBLFKSIZUMXMAD-UHFFFAOYSA-N 2 0 279.428 1.677 10 0 CDAERP Cc1cc([C@@H]([NH3+])CC(=O)N2CCC[C@@H]([NH3+])C2)cc(Cl)n1 ZINC000832205241 694080949 /nfs/dbraw/zinc/08/09/49/694080949.db2.gz WNBWQEBYOPZDRX-NEPJUHHUSA-N 2 0 296.802 1.383 10 0 CDAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CCOC[C@H]1CCCO1)CC2 ZINC000923449957 694150098 /nfs/dbraw/zinc/15/00/98/694150098.db2.gz RJEOQTNKSINWJF-CABCVRRESA-N 2 0 298.427 1.012 10 0 CDAERP C[C@@H]1OCC[C@H]1CON=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871785838 694161342 /nfs/dbraw/zinc/16/13/42/694161342.db2.gz XVEHAYPMGALBMC-WSOGJNRSSA-N 2 0 281.400 1.783 10 0 CDAERP C[NH+](C)C1(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CCC1 ZINC000811329301 688235365 /nfs/dbraw/zinc/23/53/65/688235365.db2.gz OPWVRSQXOZTWDY-INIZCTEOSA-N 2 0 299.434 1.799 10 0 CDAERP C(C1CC1)[N@@H+]1CC[C@H](N[C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925557322 688262514 /nfs/dbraw/zinc/26/25/14/688262514.db2.gz OFNHPSZPVATUPW-LSDHHAIUSA-N 2 0 263.429 1.735 10 0 CDAERP COCc1ncc2c(n1)CC[N@@H+](CCCCCC[NH3+])C2 ZINC000866673645 688351522 /nfs/dbraw/zinc/35/15/22/688351522.db2.gz ZCYHGRDXVRCXBC-UHFFFAOYSA-N 2 0 278.400 1.500 10 0 CDAERP c1[nH]nc2c1[C@@H]([NH2+]C[C@H]1C[C@H]3CC[C@@H](C1)[NH2+]3)CCC2 ZINC000873262406 688355822 /nfs/dbraw/zinc/35/58/22/688355822.db2.gz YXNGDFCPASUGAW-OPDFLTKYSA-N 2 0 260.385 1.907 10 0 CDAERP Cc1cnc(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)cn1 ZINC000923452702 688381282 /nfs/dbraw/zinc/38/12/82/688381282.db2.gz VWZDXQLCNFNTDD-AWEZNQCLSA-N 2 0 276.384 1.115 10 0 CDAERP C[C@@H]1C[C@H]1NC(=[NH2+])NCc1ccccc1OCC[NH+](C)C ZINC000864457842 688385659 /nfs/dbraw/zinc/38/56/59/688385659.db2.gz VBISEQDUWYTBEO-TZMCWYRMSA-N 2 0 290.411 1.649 10 0 CDAERP Cc1cc(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)c(C)nn1 ZINC000923440547 688396133 /nfs/dbraw/zinc/39/61/33/688396133.db2.gz IQLJVVWYFICKJG-OAHLLOKOSA-N 2 0 290.411 1.423 10 0 CDAERP CC(C)(C)NC(=O)CC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925594739 688419245 /nfs/dbraw/zinc/41/92/45/688419245.db2.gz RAPJOUSCCHOIOV-NEPJUHHUSA-N 2 0 269.433 1.787 10 0 CDAERP CN(CCC[N@H+](C)CC1(O)CCCCC1)CC[NH+](C)C ZINC000808781882 688469328 /nfs/dbraw/zinc/46/93/28/688469328.db2.gz VWORXRFGWQWZCJ-UHFFFAOYSA-N 2 0 285.476 1.497 10 0 CDAERP C[C@H]1[C@@H](NC(=O)NCC2(C[NH+](C)C)CCCC2)CC[N@@H+]1C ZINC000921965846 688519884 /nfs/dbraw/zinc/51/98/84/688519884.db2.gz RVMMZMRHGVPNJT-KBPBESRZSA-N 2 0 296.459 1.500 10 0 CDAERP Cn1cc(CCC[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)cn1 ZINC000925576443 688544023 /nfs/dbraw/zinc/54/40/23/688544023.db2.gz IKHVDVIGYVVPRU-KGLIPLIRSA-N 2 0 264.417 1.848 10 0 CDAERP CC[C@H](C)NC(=[NH2+])NC[C@H]1CCC[N@@H+]1CCOC ZINC000849001832 688567674 /nfs/dbraw/zinc/56/76/74/688567674.db2.gz ISVUJNJCLHRIBX-NWDGAFQWSA-N 2 0 256.394 1.010 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000852880162 688573400 /nfs/dbraw/zinc/57/34/00/688573400.db2.gz JPUMQWGNTGWXEB-HNNXBMFYSA-N 2 0 277.412 1.144 10 0 CDAERP CC(C)[C@@H]1C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCS1 ZINC000923314908 688608301 /nfs/dbraw/zinc/60/83/01/688608301.db2.gz NMBYXQOYHMVHOP-OLZOCXBDSA-N 2 0 270.442 1.438 10 0 CDAERP C[N@H+](CCNC(=[NH2+])NC[C@H]1CCCO1)C1CCCCC1 ZINC000848987997 688636674 /nfs/dbraw/zinc/63/66/74/688636674.db2.gz WNSZNGUMCKHWOZ-CQSZACIVSA-N 2 0 282.432 1.544 10 0 CDAERP O[C@@H](C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)C1CC1 ZINC000838863239 688819637 /nfs/dbraw/zinc/81/96/37/688819637.db2.gz GFOFUXIWBSSKFE-INIZCTEOSA-N 2 0 282.428 1.334 10 0 CDAERP CC1(C)[C@@H]([NH2+]C[C@@H](O)C2CCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925690258 688820930 /nfs/dbraw/zinc/82/09/30/688820930.db2.gz IRWYSWAQRVXNEH-MQYQWHSLSA-N 2 0 252.402 1.514 10 0 CDAERP CN(CC1C[NH+](C)C1)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000852224001 688845739 /nfs/dbraw/zinc/84/57/39/688845739.db2.gz XSYFIJXBYWYAPM-UONOGXRCSA-N 2 0 282.432 1.062 10 0 CDAERP [NH3+]CCCCCCC[NH+]1CCC([C@@H]2COC(=O)N2)CC1 ZINC000923526365 688846406 /nfs/dbraw/zinc/84/64/06/688846406.db2.gz OVZNXVBLVIKHSN-AWEZNQCLSA-N 2 0 283.416 1.716 10 0 CDAERP C[C@@H]1C[N@H+](Cc2cc(=O)n3ccccc3n2)CC[C@@H]1C[NH3+] ZINC000923502601 688895674 /nfs/dbraw/zinc/89/56/74/688895674.db2.gz CKQQJLMMDJUFCN-CHWSQXEVSA-N 2 0 286.379 1.111 10 0 CDAERP C[C@@H](C[NH2+]Cc1cn(C2CC2)cn1)CN1CC[NH+](C)CC1 ZINC000865448085 694309273 /nfs/dbraw/zinc/30/92/73/694309273.db2.gz ALBOXSRPSVSPOL-AWEZNQCLSA-N 2 0 291.443 1.191 10 0 CDAERP CC[N@H+](CCc1nccs1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923371136 694314647 /nfs/dbraw/zinc/31/46/47/694314647.db2.gz PPKWRZXLKMPPFY-LBPRGKRZSA-N 2 0 281.425 1.386 10 0 CDAERP CCOC(=O)[C@@H]1C[C@H]1C[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000929782942 694322187 /nfs/dbraw/zinc/32/21/87/694322187.db2.gz XIMYGQWFSZJTGB-ZQDZILKHSA-N 2 0 282.428 1.990 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C1CCC2(CC1)OCCO2 ZINC000715754009 694328264 /nfs/dbraw/zinc/32/82/64/694328264.db2.gz JQYUICSUSIYQPH-AAEUAGOBSA-N 2 0 254.374 1.389 10 0 CDAERP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccnc(F)c1C ZINC000862295775 694349569 /nfs/dbraw/zinc/34/95/69/694349569.db2.gz ASBKOLOVTGRQJL-AWEZNQCLSA-N 2 0 283.391 1.976 10 0 CDAERP [NH3+][C@@H]1C[C@H](NC[C@H]2CCCC[N@@H+]2C2CC2)C12CCC2 ZINC000925652740 694355243 /nfs/dbraw/zinc/35/52/43/694355243.db2.gz SJUXFDDHWPDYNT-KFWWJZLASA-N 2 0 263.429 1.863 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2C[C@@H]([NH2+]CCCF)C2)C1 ZINC001691123715 1158921565 /nfs/dbraw/zinc/92/15/65/1158921565.db2.gz NHMKNVCHWIINOV-MELADBBJSA-N 2 0 285.407 1.172 10 0 CDAERP COC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)[C@H]1CCCO1 ZINC000925653780 694434180 /nfs/dbraw/zinc/43/41/80/694434180.db2.gz OAQODPZZPKQRFV-UMSGYPCISA-N 2 0 254.374 1.040 10 0 CDAERP CC[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1cnn(C)c1 ZINC000925841207 694444659 /nfs/dbraw/zinc/44/46/59/694444659.db2.gz HZRXCHONKNKNEA-RBSFLKMASA-N 2 0 262.401 1.993 10 0 CDAERP CC[N@@H+]1CC[C@H](CN[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925478635 694501661 /nfs/dbraw/zinc/50/16/61/694501661.db2.gz VUJZQDYKVMGALU-HZSPNIEDSA-N 2 0 253.434 1.824 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](C[C@H](O)C2(O)CCC2)CC1 ZINC000929276471 692170322 /nfs/dbraw/zinc/17/03/22/692170322.db2.gz PLMYJAOFPAULFF-HNNXBMFYSA-N 2 0 284.444 1.316 10 0 CDAERP C[C@H]1C[C@@H](N(C)C(=O)C=C2CC[NH2+]CC2)CC[N@@H+]1C ZINC000852871047 692177489 /nfs/dbraw/zinc/17/74/89/692177489.db2.gz ULDRGEMYZSOUBT-JSGCOSHPSA-N 2 0 265.401 1.237 10 0 CDAERP C[C@H]([NH3+])CCc1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871795987 692209355 /nfs/dbraw/zinc/20/93/55/692209355.db2.gz DCEBBPYSWVHCED-OFLUOSHYSA-N 2 0 250.346 1.347 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(C(=O)N(C)C)cc1 ZINC000925784272 692248218 /nfs/dbraw/zinc/24/82/18/692248218.db2.gz IWMNDGUEOZMGBA-WWGRRREGSA-N 2 0 289.423 1.895 10 0 CDAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000925830380 692249116 /nfs/dbraw/zinc/24/91/16/692249116.db2.gz CXBNMXOQODCPHY-AEKOTVAKSA-N 2 0 291.395 1.303 10 0 CDAERP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@H]1C(F)(F)F ZINC000709875741 692279060 /nfs/dbraw/zinc/27/90/60/692279060.db2.gz QUZKVIYXZZIHBD-HBNTYKKESA-N 2 0 266.307 1.482 10 0 CDAERP C[C@H](C[C@H]1CCOC1)[NH2+]C[C@@H]1CCN1C1CCOCC1 ZINC000927109425 692292604 /nfs/dbraw/zinc/29/26/04/692292604.db2.gz MMNXSGMPNTXNRL-FMKPAKJESA-N 2 0 282.428 1.644 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCCCCC2)CC[N@@H+]1C ZINC000864828873 692344280 /nfs/dbraw/zinc/34/42/80/692344280.db2.gz KYRNJDWGIGEVLK-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000925787470 692365300 /nfs/dbraw/zinc/36/53/00/692365300.db2.gz SYYRTSCYCHBJSU-VRKREXBASA-N 2 0 261.413 1.390 10 0 CDAERP C[NH+](C)C1(C)CCC(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000825374290 692366436 /nfs/dbraw/zinc/36/64/36/692366436.db2.gz JAMGYQWCINSCNT-HLIUYOAVSA-N 2 0 281.444 1.707 10 0 CDAERP CCn1cc(CC[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)cn1 ZINC000923447461 692387882 /nfs/dbraw/zinc/38/78/82/692387882.db2.gz TZMOREZKVDMNRA-HNNXBMFYSA-N 2 0 292.427 1.275 10 0 CDAERP CC1CC[NH+](CCNC(=[NH2+])NCCC2CC2)CC1 ZINC000864454074 692418416 /nfs/dbraw/zinc/41/84/16/692418416.db2.gz SVYHVFGYVDQXEV-UHFFFAOYSA-N 2 0 252.406 1.632 10 0 CDAERP Cc1cc(N2CCC([NH+]3CCCCC3)CC2)nc(N)[nH+]1 ZINC000052428345 692431883 /nfs/dbraw/zinc/43/18/83/692431883.db2.gz UILRSCYBKXRRQU-UHFFFAOYSA-N 2 0 275.400 1.822 10 0 CDAERP CO[C@]1(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CCSC1 ZINC000719312195 692458273 /nfs/dbraw/zinc/45/82/73/692458273.db2.gz BRDICUINJCKRPA-AVGNSLFASA-N 2 0 258.431 1.581 10 0 CDAERP C(C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1)O[C@H]1CCOC1 ZINC000923428662 692465227 /nfs/dbraw/zinc/46/52/27/692465227.db2.gz PXBDQKBIWRYBAN-LSDHHAIUSA-N 2 0 268.401 1.258 10 0 CDAERP [NH3+]C[C@@H]1C[N@H+](CCCC2CC[NH2+]CC2)C[C@H]1C(F)(F)F ZINC000872149857 692502408 /nfs/dbraw/zinc/50/24/08/692502408.db2.gz RHICKQBNSFFWGL-CHWSQXEVSA-N 3 0 293.377 1.835 10 0 CDAERP CCC1([NH+](C)C)CC[NH+](CCC2OCCO2)CC1 ZINC000715253189 692516710 /nfs/dbraw/zinc/51/67/10/692516710.db2.gz ZEARPIBXFHOOCF-UHFFFAOYSA-N 2 0 256.390 1.556 10 0 CDAERP C[NH+](C)C[C@H](NC(=O)CCCCC[NH3+])c1ccccc1 ZINC000040809113 692577853 /nfs/dbraw/zinc/57/78/53/692577853.db2.gz URAUBEIESMAJOJ-HNNXBMFYSA-N 2 0 277.412 1.925 10 0 CDAERP CO[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)C12CCC2 ZINC000453090878 692629235 /nfs/dbraw/zinc/62/92/35/692629235.db2.gz LBRKYDVIHOECCI-RRFJBIMHSA-N 2 0 282.428 1.380 10 0 CDAERP CN(C)c1cc[nH+]c(CNC(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC000927695462 692632803 /nfs/dbraw/zinc/63/28/03/692632803.db2.gz MEHMTZHCWREXGK-GFCCVEGCSA-N 2 0 276.384 1.106 10 0 CDAERP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925839114 694541462 /nfs/dbraw/zinc/54/14/62/694541462.db2.gz FVRSWEDJJDYIHN-KBUPBQIOSA-N 3 0 251.418 1.496 10 0 CDAERP C[C@@H](Cn1cccn1)[NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923378063 692664656 /nfs/dbraw/zinc/66/46/56/692664656.db2.gz ZJFZIRWXTJTXOH-AVOUXACISA-N 2 0 262.401 1.782 10 0 CDAERP CC(C)OCC[C@@H](O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923329290 692687019 /nfs/dbraw/zinc/68/70/19/692687019.db2.gz QKDRVLCMNHSPCB-IZGVIRRGSA-N 2 0 270.417 1.377 10 0 CDAERP CC1(CCCC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)OCCO1 ZINC000838793183 692717685 /nfs/dbraw/zinc/71/76/85/692717685.db2.gz GVYAIDQTAGVVQB-BETUJISGSA-N 2 0 254.374 1.071 10 0 CDAERP [NH3+]C1(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)Cc2ccccc2C1 ZINC000841850772 692779035 /nfs/dbraw/zinc/77/90/35/692779035.db2.gz CXPDPWKWZYFVTE-KRWDZBQOSA-N 2 0 299.418 1.085 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCCCC[NH3+])[C@H]2CCC[C@H]21 ZINC000843342221 692788061 /nfs/dbraw/zinc/78/80/61/692788061.db2.gz OROKRNPBUMPUEY-QLFBSQMISA-N 2 0 253.434 1.968 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC[C@@H]1C[NH2+]CCC1(F)F ZINC000925774869 692804254 /nfs/dbraw/zinc/80/42/54/692804254.db2.gz AEHIZFAVMRUPHX-MDZLAQPJSA-N 2 0 273.371 1.304 10 0 CDAERP CCn1cc(CC[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cn1 ZINC000857087218 692833727 /nfs/dbraw/zinc/83/37/27/692833727.db2.gz PTMJTWBOQKVVNT-HNNXBMFYSA-N 2 0 262.401 1.521 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1COC2(CCCC2)O1 ZINC000817918429 692839913 /nfs/dbraw/zinc/83/99/13/692839913.db2.gz JKPWBKSDPBKGSA-QWHCGFSZSA-N 2 0 272.389 1.016 10 0 CDAERP C[N@H+](CCc1ccc(C(N)=O)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000866661925 692841627 /nfs/dbraw/zinc/84/16/27/692841627.db2.gz XEUHHSUTNZTIRU-XYPWUTKMSA-N 2 0 287.407 1.543 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCc2nnc3ccccn32)[C@H]2CCC[C@@H]21 ZINC000796673278 692844524 /nfs/dbraw/zinc/84/45/24/692844524.db2.gz ASQFJNIULYAKRM-ILXRZTDVSA-N 2 0 299.422 1.734 10 0 CDAERP [NH3+][C@H]1CCCCC[C@H]1NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925842205 692846909 /nfs/dbraw/zinc/84/69/09/692846909.db2.gz YJCDAHDCIRXDAV-GBJTYRQASA-N 2 0 251.418 1.768 10 0 CDAERP CC1(C)C[C@H](C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)C(C)(C)O1 ZINC000709704065 692847373 /nfs/dbraw/zinc/84/73/73/692847373.db2.gz XDWMQXFKPDGOIV-UPJWGTAASA-N 2 0 252.402 1.874 10 0 CDAERP CCC(CC)[N@H+](CCOC)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923304368 692876513 /nfs/dbraw/zinc/87/65/13/692876513.db2.gz GGOGJCIIQIUSRH-AWEZNQCLSA-N 2 0 270.417 1.502 10 0 CDAERP C[NH+](C)CC1(O)CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC000710572535 692884280 /nfs/dbraw/zinc/88/42/80/692884280.db2.gz DCMWSOAKENUZMI-CQSZACIVSA-N 2 0 270.417 1.334 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)NCC[N@@H+]1CCc2ccccc2C1 ZINC000852859159 692916224 /nfs/dbraw/zinc/91/62/24/692916224.db2.gz QRIXKAMVOXVYOO-UHFFFAOYSA-N 2 0 299.418 1.471 10 0 CDAERP C[N@H+](C[C@@H]1C[C@H]2COC[C@H]2O1)C[C@H]1CCC[NH+](C)C1 ZINC000929699529 692955579 /nfs/dbraw/zinc/95/55/79/692955579.db2.gz QPJFWZHLRXESLH-ZQDZILKHSA-N 2 0 268.401 1.064 10 0 CDAERP [NH3+]CCCOC1CC[NH+](C[C@@H]2CC[C@H](C3CC3)O2)CC1 ZINC000715392460 692967394 /nfs/dbraw/zinc/96/73/94/692967394.db2.gz ZBNFFULPRJHCPR-JKSUJKDBSA-N 2 0 282.428 1.774 10 0 CDAERP CCC[NH+]1CCC(C[NH2+]C[C@H](O)CC(C)(C)O)CC1 ZINC000872198960 692975049 /nfs/dbraw/zinc/97/50/49/692975049.db2.gz FEJCIKXSXPCKJF-CQSZACIVSA-N 2 0 272.433 1.220 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]CCCOC[C@H]2CCOC2)C12CCC2 ZINC000925520060 692994796 /nfs/dbraw/zinc/99/47/96/692994796.db2.gz DWPHVUTXBDAZBI-MCIONIFRSA-N 2 0 268.401 1.289 10 0 CDAERP CSCC[C@@H]([NH3+])C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712624445 693004043 /nfs/dbraw/zinc/00/40/43/693004043.db2.gz CXNFQKKWCRBTHZ-LLVKDONJSA-N 2 0 273.446 1.010 10 0 CDAERP C[C@H]([NH2+]CCc1ccnn1-c1ccccc1)C1C[NH2+]C1 ZINC000925804806 693010128 /nfs/dbraw/zinc/01/01/28/693010128.db2.gz MOLHDASYQCBRMG-ZDUSSCGKSA-N 2 0 270.380 1.612 10 0 CDAERP COCC[NH+]1CCC(NCc2ccnn2C2CCC2)CC1 ZINC000921596662 693026107 /nfs/dbraw/zinc/02/61/07/693026107.db2.gz ZZFZRKMPGNAEAQ-UHFFFAOYSA-N 2 0 292.427 1.809 10 0 CDAERP CN(CC(F)F)C1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000923327721 693043729 /nfs/dbraw/zinc/04/37/29/693043729.db2.gz UPLNPHNDMBPCEU-UHFFFAOYSA-N 2 0 275.387 1.790 10 0 CDAERP Cc1cc(F)ccc1[C@H](O)C[NH2+]CCOCC[NH+](C)C ZINC000819210220 693044389 /nfs/dbraw/zinc/04/43/89/693044389.db2.gz AAYODGGQWHMPET-OAHLLOKOSA-N 2 0 284.375 1.335 10 0 CDAERP C[C@H]1C[N@H+](C[C@@]2(O)CCCOC2)CCN1c1cc[nH+]cc1 ZINC000880258346 693050492 /nfs/dbraw/zinc/05/04/92/693050492.db2.gz GJMWZXHJOCOCJC-HOCLYGCPSA-N 2 0 291.395 1.134 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)C=C2CC[NH2+]CC2)C[N@@H+]1C1CC1 ZINC000852872856 693063203 /nfs/dbraw/zinc/06/32/03/693063203.db2.gz SKUYBXQQBMMWEA-YPMHNXCESA-N 2 0 263.385 1.038 10 0 CDAERP Cn1nccc1[C@H]1COCCN1CCCCCCC[NH3+] ZINC000846228871 693091096 /nfs/dbraw/zinc/09/10/96/693091096.db2.gz RSPUOHXJKXLYKD-OAHLLOKOSA-N 2 0 280.416 1.703 10 0 CDAERP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](Cc2cccs2)C1 ZINC000872254489 693127255 /nfs/dbraw/zinc/12/72/55/693127255.db2.gz FOIVYYMOMMUQHR-WCFLWFBJSA-N 2 0 293.392 1.115 10 0 CDAERP C[C@H](N[C@@H](CC[NH+](C)C)c1cccnc1)[C@H]1CCC[NH2+]1 ZINC000925825582 693143104 /nfs/dbraw/zinc/14/31/04/693143104.db2.gz AQYBAKVMSFPEPD-IMJJTQAJSA-N 2 0 276.428 1.805 10 0 CDAERP C[C@H](CC1CCC1)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925853612 693144256 /nfs/dbraw/zinc/14/42/56/693144256.db2.gz QBTURFHWYKTLPQ-TZMCWYRMSA-N 2 0 280.412 1.840 10 0 CDAERP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2[nH]c(C)nc2C)CC1 ZINC000930663484 693153476 /nfs/dbraw/zinc/15/34/76/693153476.db2.gz LKYUHQKHOKPZPJ-UHFFFAOYSA-N 2 0 293.459 1.532 10 0 CDAERP C([C@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1CCCC2(CC2)CC1 ZINC000923410260 693155559 /nfs/dbraw/zinc/15/55/59/693155559.db2.gz WSYWGPINNIITGU-CYBMUJFWSA-N 2 0 250.386 1.631 10 0 CDAERP [NH3+][C@H]1C[C@H]([NH2+]CCC(=O)NC2CCCCC2)C12CCC2 ZINC000925486309 693164923 /nfs/dbraw/zinc/16/49/23/693164923.db2.gz QNTABSOWXGYCEQ-KBPBESRZSA-N 2 0 279.428 1.685 10 0 CDAERP CC(C)[C@@H](CNC(=[NH2+])NCCC1CC1)N1CC[NH+](C)CC1 ZINC000864450574 693187969 /nfs/dbraw/zinc/18/79/69/693187969.db2.gz QTTLJXHEBLFDIL-OAHLLOKOSA-N 2 0 295.475 1.172 10 0 CDAERP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)C2CC2)C1 ZINC000838865306 693196977 /nfs/dbraw/zinc/19/69/77/693196977.db2.gz RPYIYNDHTNCGFK-HIFRSBDPSA-N 2 0 252.402 1.421 10 0 CDAERP C[NH+](C)CCC[C@H]1C[N@H+](CCCCCC[NH3+])CCO1 ZINC000852762653 693202217 /nfs/dbraw/zinc/20/22/17/693202217.db2.gz SHCQESKKRWEACF-HNNXBMFYSA-N 3 0 271.449 1.548 10 0 CDAERP C[C@@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C1CC1 ZINC000870020923 693213484 /nfs/dbraw/zinc/21/34/84/693213484.db2.gz IRNKPZUBNNZRSK-BPLDGKMQSA-N 2 0 281.444 1.230 10 0 CDAERP O[C@H](CC1CCCC1)CN1CC[C@]2(CCC[NH2+]2)C1 ZINC000923379788 693250649 /nfs/dbraw/zinc/25/06/49/693250649.db2.gz LZTQCFJJFAOTLT-HUUCEWRRSA-N 2 0 252.402 1.756 10 0 CDAERP C[C@@H]1C[N@H+](C[C@@H]2COc3ccccc3O2)CC[C@H]1C[NH3+] ZINC000709687326 693262126 /nfs/dbraw/zinc/26/21/26/693262126.db2.gz QOBGOSZACGJLAZ-HZSPNIEDSA-N 2 0 276.380 1.743 10 0 CDAERP Cn1ncc(CCC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)n1 ZINC000858168866 693335864 /nfs/dbraw/zinc/33/58/64/693335864.db2.gz FUUDYSUGMNTMOM-GFCCVEGCSA-N 2 0 265.405 1.210 10 0 CDAERP C[C@@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH+](C)C ZINC000810091652 694641774 /nfs/dbraw/zinc/64/17/74/694641774.db2.gz DGJYQPZATSALGV-FZMZJTMJSA-N 2 0 273.396 1.265 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000715536017 693395982 /nfs/dbraw/zinc/39/59/82/693395982.db2.gz DILNNSILAFMJGG-IGQOVBAYSA-N 2 0 267.417 1.350 10 0 CDAERP COC[C@H](CC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)OC ZINC000925714856 694679732 /nfs/dbraw/zinc/67/97/32/694679732.db2.gz YBSZWEJLYQSETC-AVGNSLFASA-N 2 0 258.406 1.534 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)C[C@@H]([NH3+])C2CC2)CC1 ZINC000831431349 693411492 /nfs/dbraw/zinc/41/14/92/693411492.db2.gz GEVJYIQFMLRZON-UXUKBGGZSA-N 2 0 267.417 1.350 10 0 CDAERP Cc1ccccc1C[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923298128 694688361 /nfs/dbraw/zinc/68/83/61/694688361.db2.gz SCVDCZPKUUYDQZ-HNNXBMFYSA-N 2 0 260.381 1.805 10 0 CDAERP CCOC(=O)CC(C)(C)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000838913207 694690182 /nfs/dbraw/zinc/69/01/82/694690182.db2.gz ZBFWPUSCKKMFPH-CYBMUJFWSA-N 2 0 286.416 1.012 10 0 CDAERP CC1(C)CO[C@H](C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000709850457 693443467 /nfs/dbraw/zinc/44/34/67/693443467.db2.gz UGGSLLOXPPOSRU-ZFWWWQNUSA-N 2 0 252.402 1.877 10 0 CDAERP CCC[NH+]1CCC([NH2+][C@@H]2CC=C(C(=O)OC)C2)CC1 ZINC000858474628 693452479 /nfs/dbraw/zinc/45/24/79/693452479.db2.gz CGLCCOCFIPRVRH-CQSZACIVSA-N 2 0 266.385 1.712 10 0 CDAERP C[C@H](CS(C)(=O)=O)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927039859 693460418 /nfs/dbraw/zinc/46/04/18/693460418.db2.gz VRHRMIFWJPUAFU-IYXRBSQSSA-N 2 0 288.457 1.416 10 0 CDAERP c1ccc(N2CCN(CCC[NH2+]C3CC3)CC2)cc1 ZINC000037613575 694723340 /nfs/dbraw/zinc/72/33/40/694723340.db2.gz LYAHBHRUDXJWIS-UHFFFAOYSA-N 2 0 259.397 1.951 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NOC1CCC1 ZINC000854104991 693475383 /nfs/dbraw/zinc/47/53/83/693475383.db2.gz ISGAAJAWZODEHT-LBPRGKRZSA-N 2 0 286.420 1.042 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC1(n2cc(Br)cn2)CC1 ZINC000925840244 693475571 /nfs/dbraw/zinc/47/55/71/693475571.db2.gz UVHSNQOBRGMRMN-MNOVXSKESA-N 2 0 299.216 1.604 10 0 CDAERP CCCCCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](C)[C@H]1C ZINC000928436752 694729942 /nfs/dbraw/zinc/72/99/42/694729942.db2.gz ADSZFUWQVRDWRI-KBPBESRZSA-N 2 0 269.433 1.707 10 0 CDAERP Cn1cc(C[NH2+]CCCC[NH+]2CCOCC2)c(Cl)n1 ZINC000856766014 694756548 /nfs/dbraw/zinc/75/65/48/694756548.db2.gz PKYKVUIXKIRVMI-UHFFFAOYSA-N 2 0 286.807 1.276 10 0 CDAERP [NH3+]C[C@@H]1Cc2ccccc2N(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000872311658 694766211 /nfs/dbraw/zinc/76/62/11/694766211.db2.gz VZDVVHDFIIILBS-SYEQVDHESA-N 2 0 285.391 1.278 10 0 CDAERP C[NH+](C)CCC[C@H]1C[N@H+](CCCCCCO)CCO1 ZINC000852760936 694797811 /nfs/dbraw/zinc/79/78/11/694797811.db2.gz OTVOGKSCDGGYTL-HNNXBMFYSA-N 2 0 272.433 1.582 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712672322 694800753 /nfs/dbraw/zinc/80/07/53/694800753.db2.gz VGHDFNWGPBRQON-LBPRGKRZSA-N 2 0 255.406 1.303 10 0 CDAERP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C=C1CC[NH2+]CC1 ZINC000852862301 694800866 /nfs/dbraw/zinc/80/08/66/694800866.db2.gz ZAEGPIQTNPCXGJ-UONOGXRCSA-N 2 0 279.428 1.533 10 0 CDAERP C[C@H](CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)[N@@H+]1CCCC[C@H]1C ZINC000872274915 694803821 /nfs/dbraw/zinc/80/38/21/694803821.db2.gz DWHQPXVWUMSTPV-FAHYXWLWSA-N 2 0 279.428 1.493 10 0 CDAERP C[N@@H+]1CC[C@@H]2CN(CCCCCCC[NH3+])CC[C@@H]21 ZINC000866703483 694805964 /nfs/dbraw/zinc/80/59/64/694805964.db2.gz JTFDFFKQYVLTPA-CABCVRRESA-N 2 0 253.434 1.922 10 0 CDAERP CN(C)c1ncc(C[N@H+](C)CCCCCC[NH3+])cn1 ZINC000846220589 694833771 /nfs/dbraw/zinc/83/37/71/694833771.db2.gz MBCZGFOBBKXGSG-UHFFFAOYSA-N 2 0 265.405 1.494 10 0 CDAERP C[C@H](C(=O)NCC(F)(F)F)[N@H+](C)CCCCCC[NH3+] ZINC000710835864 694833287 /nfs/dbraw/zinc/83/32/87/694833287.db2.gz BNLDSZXJCZZBIL-SNVBAGLBSA-N 2 0 283.338 1.504 10 0 CDAERP CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923498221 694605619 /nfs/dbraw/zinc/60/56/19/694605619.db2.gz KCPGNSZUBJKMBA-MROQNXINSA-N 2 0 255.406 1.206 10 0 CDAERP O[C@@H]1CCC[C@H]1C[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000926550580 694634089 /nfs/dbraw/zinc/63/40/89/694634089.db2.gz OLHNTZUICBGJCR-ZQDZILKHSA-N 2 0 252.402 1.754 10 0 CDAERP Cc1cc(=O)[nH]c(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)n1 ZINC000799179478 694639597 /nfs/dbraw/zinc/63/95/97/694639597.db2.gz MEGHNCOCRIGDMW-UHFFFAOYSA-N 2 0 290.411 1.798 10 0 CDAERP CN1CC[NH+](CCCC[NH2+][C@@H]2CCCc3cn[nH]c32)CC1 ZINC000857846718 694642542 /nfs/dbraw/zinc/64/25/42/694642542.db2.gz FWNKLWUCPQNOCX-OAHLLOKOSA-N 2 0 291.443 1.404 10 0 CDAERP CCCCOC(=O)[C@@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000843386028 694710996 /nfs/dbraw/zinc/71/09/96/694710996.db2.gz BGQOEXKRZRAUEV-MCIONIFRSA-N 2 0 268.401 1.650 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)CCC2CC[NH2+]CC2)C1 ZINC000870994902 694710532 /nfs/dbraw/zinc/71/05/32/694710532.db2.gz XVEZIGIZZZBCOO-QGZVFWFLSA-N 2 0 295.471 1.990 10 0 CDAERP C[NH+](C)C1CC([NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)C1 ZINC000723651442 694711620 /nfs/dbraw/zinc/71/16/20/694711620.db2.gz NNFWVZFPDUBMLI-OEGGNGQFSA-N 2 0 252.402 1.874 10 0 CDAERP CCC/C=C/C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870017348 694719683 /nfs/dbraw/zinc/71/96/83/694719683.db2.gz LCVLUPFJCJEZBR-VMFRVMOISA-N 2 0 281.444 1.541 10 0 CDAERP C(NC1CC[NH+](C2CC2)CC1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925840487 694720331 /nfs/dbraw/zinc/72/03/31/694720331.db2.gz MKQVTBZFKKHHQA-HZPDHXFCSA-N 2 0 263.429 1.735 10 0 CDAERP C[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C(C1CC1)C1CC1 ZINC000923310630 694761377 /nfs/dbraw/zinc/76/13/77/694761377.db2.gz LWBIJXFRMMCEAA-ZDUSSCGKSA-N 2 0 250.386 1.485 10 0 CDAERP COC(=O)c1cnc([C@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)s1 ZINC000925799599 694767860 /nfs/dbraw/zinc/76/78/60/694767860.db2.gz ZPAYOSHYARMXDN-OUAUKWLOSA-N 2 0 297.424 1.826 10 0 CDAERP Cn1nc2c(c1C[NH2+]CCCC[NH+]1CCOCC1)CCC2 ZINC000921538009 694776608 /nfs/dbraw/zinc/77/66/08/694776608.db2.gz TYZAATDREFTQTB-UHFFFAOYSA-N 2 0 292.427 1.111 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925648938 694782700 /nfs/dbraw/zinc/78/27/00/694782700.db2.gz ZXQFAKRSAXGPTC-GJZGRUSLSA-N 3 0 285.476 1.840 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)NCCC[NH+]1CCCCCC1 ZINC000852854833 694821261 /nfs/dbraw/zinc/82/12/61/694821261.db2.gz RHSNRHDWAJIOEO-UHFFFAOYSA-N 2 0 279.428 1.679 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=S)NCCC[NH+](C)C ZINC000844565776 694823191 /nfs/dbraw/zinc/82/31/91/694823191.db2.gz ODUANVIOPOUGTI-UHFFFAOYSA-N 2 0 288.505 1.380 10 0 CDAERP CO[C@H]1C[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000714751246 694849322 /nfs/dbraw/zinc/84/93/22/694849322.db2.gz HKPLWDYMGIXPDL-ARILJUKYSA-N 2 0 252.402 1.922 10 0 CDAERP C[N@@H+]1C[C@H]2CCN(C(=O)C3CC[NH+](C4CC4)CC3)[C@@H]2C1 ZINC000816950670 694850046 /nfs/dbraw/zinc/85/00/46/694850046.db2.gz XWKIEXQJTFPZJT-UKRRQHHQSA-N 2 0 277.412 1.023 10 0 CDAERP O=C(CC[C@@H]1CCC[NH2+]1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000335681803 694861339 /nfs/dbraw/zinc/86/13/39/694861339.db2.gz XFWVXXAPVPPUJW-DZGCQCFKSA-N 2 0 265.401 1.121 10 0 CDAERP CC[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)[C@H]1CCCOC1 ZINC000872024235 694869919 /nfs/dbraw/zinc/86/99/19/694869919.db2.gz ZIDHQSNMEKCVNL-DLBZAZTESA-N 2 0 297.487 1.809 10 0 CDAERP CC1(C)[C@H]([NH2+]CCNC(=O)c2ccco2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925521041 694870609 /nfs/dbraw/zinc/87/06/09/694870609.db2.gz XIRMWRLBHZCVPF-KWCYVHTRSA-N 2 0 291.395 1.376 10 0 CDAERP Cc1cc([C@H]([NH3+])CC(=O)N(C)[C@H](C)C[NH3+])cc(Cl)n1 ZINC000841848633 694871426 /nfs/dbraw/zinc/87/14/26/694871426.db2.gz NOCPVMLJGQWELX-MWLCHTKSSA-N 2 0 284.791 1.239 10 0 CDAERP CN(CCC[NH2+]Cc1cn(C2CC2)cn1)CC[NH+](C)C ZINC000865637869 694871965 /nfs/dbraw/zinc/87/19/65/694871965.db2.gz OUPGFYWYUXKFGP-UHFFFAOYSA-N 2 0 279.432 1.191 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccccc2)C[C@H]1CC[NH3+] ZINC000723905514 694873823 /nfs/dbraw/zinc/87/38/23/694873823.db2.gz KLCSAKJCQNHUJU-GDBMZVCRSA-N 2 0 289.423 1.562 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CCCc2cn[nH]c21)CN1CC[NH+](C)CC1 ZINC000857853126 694876174 /nfs/dbraw/zinc/87/61/74/694876174.db2.gz LOOYUOKVVWXVGI-UKRRQHHQSA-N 2 0 291.443 1.260 10 0 CDAERP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000715570366 694883188 /nfs/dbraw/zinc/88/31/88/694883188.db2.gz DOIRKBDNZZITOH-ILTLLKDXSA-N 2 0 281.444 1.896 10 0 CDAERP CC1(C)[NH2+]CC[C@H]1NC[C@@H]1Cc2ccccc2CO1 ZINC000925724016 694884727 /nfs/dbraw/zinc/88/47/27/694884727.db2.gz VOMYPCUDTCOPOZ-LSDHHAIUSA-N 2 0 260.381 1.858 10 0 CDAERP CC1(C)C[NH2+]C[C@H]1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000711381315 694894169 /nfs/dbraw/zinc/89/41/69/694894169.db2.gz JPGASOKTFSKHJX-KBPBESRZSA-N 2 0 279.428 1.319 10 0 CDAERP C[C@H]1C[N@H+](CCCS(=O)(=O)C(C)(C)C)CC[C@@H]1C[NH3+] ZINC000718670328 695044649 /nfs/dbraw/zinc/04/46/49/695044649.db2.gz RNKKMOVJYVRMPJ-QWHCGFSZSA-N 2 0 290.473 1.507 10 0 CDAERP CCO[C@H](CN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)C[NH+](C)C ZINC000925842478 695078655 /nfs/dbraw/zinc/07/86/55/695078655.db2.gz XNHWSPHLHKKNFP-BRWVUGGUSA-N 2 0 297.487 1.711 10 0 CDAERP Cn1ncc2cc(CN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)cnc21 ZINC000865416805 695099164 /nfs/dbraw/zinc/09/91/64/695099164.db2.gz MYCVPMMLQKQDQO-CABCVRRESA-N 2 0 285.395 1.685 10 0 CDAERP COc1ccccc1[C@@H](O)CN[C@H]1CC[NH2+]C1(C)C ZINC000925494838 695110783 /nfs/dbraw/zinc/11/07/83/695110783.db2.gz PGEQQBPWYWETQY-JSGCOSHPSA-N 2 0 264.369 1.459 10 0 CDAERP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000722395960 695111384 /nfs/dbraw/zinc/11/13/84/695111384.db2.gz PKCSFHFFMNXNII-QCLAVDOMSA-N 2 0 266.307 1.812 10 0 CDAERP CCO[C@@H]1C[N@H+](C[C@@H](COC)C(C)C)C[C@H]1C[NH3+] ZINC000721923306 695113804 /nfs/dbraw/zinc/11/38/04/695113804.db2.gz XYQMTPGFBAJLPF-HZSPNIEDSA-N 2 0 258.406 1.201 10 0 CDAERP C[C@@H]1C[C@@H](C)[N@H+](CCc2ccns2)C[C@H]1C[NH3+] ZINC000719878921 695161098 /nfs/dbraw/zinc/16/10/98/695161098.db2.gz MGGPDWIQMWTYAG-IJLUTSLNSA-N 2 0 253.415 1.991 10 0 CDAERP COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1CCC[NH2+]C1CC1 ZINC000923374415 695180057 /nfs/dbraw/zinc/18/00/57/695180057.db2.gz WZOSQVNRNSUBOF-YUTCNCBUSA-N 2 0 266.385 1.402 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]C[C@H](C)CC ZINC001691339975 1159026571 /nfs/dbraw/zinc/02/65/71/1159026571.db2.gz QMNHQLKBWOWHMK-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP CN(CC[NH2+]C[C@H]1CC(C)(C)CO1)C(=O)CCC[NH+](C)C ZINC001731948439 1159395902 /nfs/dbraw/zinc/39/59/02/1159395902.db2.gz SKZSBVLPVLBZMC-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP CCCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001482102444 1159981052 /nfs/dbraw/zinc/98/10/52/1159981052.db2.gz SUCYBSPGVUMEQQ-UKRRQHHQSA-N 2 0 281.444 1.470 10 0 CDAERP CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001670807764 1160170500 /nfs/dbraw/zinc/17/05/00/1160170500.db2.gz QGYFHKPXFMGSMC-STQMWFEESA-N 2 0 265.401 1.262 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001633949628 1166460954 /nfs/dbraw/zinc/46/09/54/1166460954.db2.gz KMAUAOBCCMOXIK-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)N(C)CCC[NH+](C)C)C1 ZINC001637243556 1166740495 /nfs/dbraw/zinc/74/04/95/1166740495.db2.gz BBCDVJCSPAXDKW-CQSZACIVSA-N 2 0 269.433 1.517 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(C)C)[C@@H]1C ZINC001691741948 1166881896 /nfs/dbraw/zinc/88/18/96/1166881896.db2.gz ZCXBZSBWRWNERW-KGLIPLIRSA-N 2 0 269.433 1.563 10 0 CDAERP CC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001640948992 1167062210 /nfs/dbraw/zinc/06/22/10/1167062210.db2.gz WRVLFQSWVLQTIX-MELADBBJSA-N 2 0 267.417 1.412 10 0 CDAERP C[N@@H+]1C[C@H]2CCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@@H]2C1 ZINC001645818031 1167521435 /nfs/dbraw/zinc/52/14/35/1167521435.db2.gz TVQONZXMYCYCQD-IUODEOHRSA-N 2 0 297.362 1.043 10 0 CDAERP [NH3+]CC1CCC([NH2+]CC[C@@H]2CCCS2(=O)=O)CC1 ZINC001646284657 1167745688 /nfs/dbraw/zinc/74/56/88/1167745688.db2.gz BCMXTZZAEQJSQR-BPCQOVAHSA-N 2 0 274.430 1.061 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+]1CCCC[C@@H]1C ZINC001646313643 1167768034 /nfs/dbraw/zinc/76/80/34/1167768034.db2.gz PPRMZVGXLXASHT-LSDHHAIUSA-N 2 0 281.444 1.850 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001565587146 1168156253 /nfs/dbraw/zinc/15/62/53/1168156253.db2.gz RUYIWKFKRJOKCJ-MCIONIFRSA-N 2 0 269.433 1.563 10 0 CDAERP CCOCC[N@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001566124480 1168241751 /nfs/dbraw/zinc/24/17/51/1168241751.db2.gz UXDOCFNOBNPJNW-HNNXBMFYSA-N 2 0 299.459 1.288 10 0 CDAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N1CC[N@@H+]2CC[C@H]1C2 ZINC001646909496 1168247452 /nfs/dbraw/zinc/24/74/52/1168247452.db2.gz VXRMSVGYHMGDSP-AWEZNQCLSA-N 2 0 298.350 1.189 10 0 CDAERP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C34CCC[NH+](CCC3)C4)[C@H]2C1 ZINC001647010601 1168345731 /nfs/dbraw/zinc/34/57/31/1168345731.db2.gz MVLDUWXOZQIMCA-KKUMJFAQSA-N 2 0 291.439 1.319 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@H](C)C[NH2+]CCF)C1 ZINC001568294139 1169229564 /nfs/dbraw/zinc/22/95/64/1169229564.db2.gz UHIPLNYAWGZUMR-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP CCC[NH2+]CC[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001568640406 1169410351 /nfs/dbraw/zinc/41/03/51/1169410351.db2.gz LLOJZBVJWDZXEM-LBPRGKRZSA-N 2 0 255.406 1.365 10 0 CDAERP C[N@@H+]1CCC[C@@H](N2CC[NH+](CC3CCC(O)CC3)CC2)C1 ZINC001649889639 1169470946 /nfs/dbraw/zinc/47/09/46/1169470946.db2.gz UVSGMHSUBFVJFW-AQFXKWCLSA-N 2 0 295.471 1.249 10 0 CDAERP CC(C)C[NH2+]C/C=C/CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001568865498 1169525823 /nfs/dbraw/zinc/52/58/23/1169525823.db2.gz FFPYURPGCFNUAU-RGDDUWESSA-N 2 0 281.444 1.779 10 0 CDAERP CC[NH2+][C@@H](C)CN(C)C(=O)[C@H](F)C[NH+](CC)CC ZINC001571389610 1170404702 /nfs/dbraw/zinc/40/47/02/1170404702.db2.gz PIXNEBHOSCIRDG-NWDGAFQWSA-N 2 0 261.385 1.123 10 0 CDAERP C[NH+]1CCC(CC(=O)N[C@@H]2CC[C@@H](C[NH2+]CCF)C2)CC1 ZINC001571545238 1170471691 /nfs/dbraw/zinc/47/16/91/1170471691.db2.gz ZKNLNFBULJOAGP-HUUCEWRRSA-N 2 0 299.434 1.562 10 0 CDAERP CCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[C@@H]2C[NH+](C)C[C@H]12 ZINC001650608225 1171235309 /nfs/dbraw/zinc/23/53/09/1171235309.db2.gz YKWYXXKQHLRBAQ-QKPAOTATSA-N 2 0 293.455 1.707 10 0 CDAERP FCCCC[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001654774419 1171637450 /nfs/dbraw/zinc/63/74/50/1171637450.db2.gz IEIVACBIFKTXDR-UHFFFAOYSA-N 2 0 258.381 1.969 10 0 CDAERP CCCN(C(=O)CC[NH+](C)C)C1CC[NH+](CC)CC1 ZINC001661094729 1172333150 /nfs/dbraw/zinc/33/31/50/1172333150.db2.gz RYFIZOKWVUTIRF-UHFFFAOYSA-N 2 0 269.433 1.661 10 0 CDAERP CCC/C=C/CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001662303687 1172524741 /nfs/dbraw/zinc/52/47/41/1172524741.db2.gz PGGSMFBWPHGIKW-MFHOCJEASA-N 2 0 281.444 1.921 10 0 CDAERP CC[NH2+]C[C@@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001666563425 1173152506 /nfs/dbraw/zinc/15/25/06/1173152506.db2.gz NOHOLNRHLFNBNU-CHWSQXEVSA-N 2 0 255.406 1.223 10 0 CDAERP Cc1nc[nH]c1CC(=O)NC[C@@H](C)C[NH2+]CC[C@@H](C)F ZINC001666657412 1173167882 /nfs/dbraw/zinc/16/78/82/1173167882.db2.gz ZTHZFZFNMWQXNY-WDEREUQCSA-N 2 0 284.379 1.351 10 0 CDAERP O=C(C[NH+]1CCCC1)NC/C=C\C[NH2+]CC1CCCCC1 ZINC001669189653 1173515774 /nfs/dbraw/zinc/51/57/74/1173515774.db2.gz QAPUFOSAWVWFFG-PLNGDYQASA-N 2 0 293.455 1.925 10 0 CDAERP CC(C)C[NH2+]C/C=C\CNC(=O)C[N@H+](C)C(C)C ZINC001669207589 1173516978 /nfs/dbraw/zinc/51/69/78/1173516978.db2.gz NFMMYEOPVVNHHJ-SREVYHEPSA-N 2 0 255.406 1.245 10 0 CDAERP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C[NH2+]CCCF ZINC001672305390 1173764684 /nfs/dbraw/zinc/76/46/84/1173764684.db2.gz GLRRGGIPNOMXOM-KGLIPLIRSA-N 2 0 287.423 1.372 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CC[C@@H](CC[NH2+]C/C=C\Cl)C1 ZINC001672909126 1173809397 /nfs/dbraw/zinc/80/93/97/1173809397.db2.gz CENXGKBNRWLUHL-JHAQOBCDSA-N 2 0 299.846 1.663 10 0 CDAERP CN(CC(C)(C)C[NH2+]CCCF)C(=O)C[NH+]1CCCC1 ZINC001674872022 1174018096 /nfs/dbraw/zinc/01/80/96/1174018096.db2.gz IVXJQUOSUNARMU-UHFFFAOYSA-N 2 0 287.423 1.516 10 0 CDAERP C[NH+](C)CCn1ccc(C(=O)Nc2ccc3c[nH+]cn3c2)n1 ZINC001598081462 1174306421 /nfs/dbraw/zinc/30/64/21/1174306421.db2.gz PTERLXUYIPUUFD-UHFFFAOYSA-N 2 0 298.350 1.345 10 0 CDAERP C[C@H](CNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH2+]CCCCCF ZINC001690644017 1175534562 /nfs/dbraw/zinc/53/45/62/1175534562.db2.gz UXIDHENSODQYQH-ZBFHGGJFSA-N 2 0 299.434 1.706 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001690649953 1175536360 /nfs/dbraw/zinc/53/63/60/1175536360.db2.gz BTHMQTBQNBHYBV-CYBMUJFWSA-N 2 0 255.406 1.387 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001690738302 1175560023 /nfs/dbraw/zinc/56/00/23/1175560023.db2.gz DFWPVEHDIFFVFF-CVEARBPZSA-N 2 0 293.455 1.733 10 0 CDAERP CC1CC(C[NH+]2CC(CNC(=O)CC[NH+](C)C)C2)C1 ZINC001692331560 1175737856 /nfs/dbraw/zinc/73/78/56/1175737856.db2.gz MRNPBFHJPUVNBU-UHFFFAOYSA-N 2 0 267.417 1.032 10 0 CDAERP C[C@H](F)CC[NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCCC1 ZINC001698636908 1175881170 /nfs/dbraw/zinc/88/11/70/1175881170.db2.gz XZHPHBSUEJPYTP-AWEZNQCLSA-N 2 0 299.434 1.849 10 0 CDAERP C[C@@H](C[NH2+]CCc1cccs1)N(C)C(=O)CC[NH+](C)C ZINC001698843662 1175959084 /nfs/dbraw/zinc/95/90/84/1175959084.db2.gz FJBSWMZENQQNGG-ZDUSSCGKSA-N 2 0 297.468 1.679 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CCCO ZINC001698849560 1175962585 /nfs/dbraw/zinc/96/25/85/1175962585.db2.gz SGBWMLGQZVUXPQ-HUUCEWRRSA-N 2 0 299.459 1.068 10 0 CDAERP CC(C)[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CC1CCC1 ZINC001698972058 1176001290 /nfs/dbraw/zinc/00/12/90/1176001290.db2.gz MHPXGZYHJIMQLQ-AWEZNQCLSA-N 2 0 269.433 1.469 10 0 CDAERP CC[C@@H](F)C[NH2+]CC[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001699166867 1176120918 /nfs/dbraw/zinc/12/09/18/1176120918.db2.gz XEHJPOJPSPLKBY-CHWSQXEVSA-N 2 0 273.396 1.315 10 0 CDAERP CC[C@H](F)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001699238300 1176162790 /nfs/dbraw/zinc/16/27/90/1176162790.db2.gz WAENSCCPFKHPJH-WWKJKZQJSA-N 2 0 271.380 1.091 10 0 CDAERP CCCCC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001699671989 1176564268 /nfs/dbraw/zinc/56/42/68/1176564268.db2.gz NUPFLXWFXOZFQC-ZDUSSCGKSA-N 2 0 267.417 1.367 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCCF)C[C@H]1C ZINC001699742396 1176600913 /nfs/dbraw/zinc/60/09/13/1176600913.db2.gz GZYKBCDUSITZQG-KGLIPLIRSA-N 2 0 287.423 1.655 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CCCF)C1 ZINC001700913343 1177194550 /nfs/dbraw/zinc/19/45/50/1177194550.db2.gz SPEZXVYGYCZOQX-KBPBESRZSA-N 2 0 287.423 1.561 10 0 CDAERP CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001707137149 1177956069 /nfs/dbraw/zinc/95/60/69/1177956069.db2.gz DXLZSTCAWHLDGG-GOEBONIOSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)CC(C)(C)C1 ZINC001707280498 1177991601 /nfs/dbraw/zinc/99/16/01/1177991601.db2.gz JVQOUICABATQGU-CYBMUJFWSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@@H](Cc1c[nH]cn1)C(=O)NCCC[N@H+](C)CC1CCC1 ZINC001707405777 1178020522 /nfs/dbraw/zinc/02/05/22/1178020522.db2.gz CMQWSNFMWXPAMR-ZDUSSCGKSA-N 2 0 292.427 1.827 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NCCC[NH+](C)C/C=C\Cl)C1 ZINC001707408833 1178025445 /nfs/dbraw/zinc/02/54/45/1178025445.db2.gz NGCXJKRPJJGWKJ-RJNRQISESA-N 2 0 287.835 1.519 10 0 CDAERP CC(C)[C@@H](C(=O)NCCC[N@H+](C)CC1CC1)[NH+]1CCCC1 ZINC001707423903 1178035004 /nfs/dbraw/zinc/03/50/04/1178035004.db2.gz SSRBMCTYOMSHIR-INIZCTEOSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[NH2+]C[C@@]1(C)CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001724255836 1178171187 /nfs/dbraw/zinc/17/11/87/1178171187.db2.gz ZHIDWABFKSEKGI-QGZVFWFLSA-N 2 0 295.471 1.957 10 0 CDAERP CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001712998013 1178292472 /nfs/dbraw/zinc/29/24/72/1178292472.db2.gz BGWIRDHWCUCTBJ-KBPBESRZSA-N 2 0 269.433 1.707 10 0 CDAERP C[C@H](O)C[NH2+]C[C@@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001713267922 1178460933 /nfs/dbraw/zinc/46/09/33/1178460933.db2.gz KJFUQJHLXMLFGJ-GJZGRUSLSA-N 2 0 299.459 1.070 10 0 CDAERP C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CCCF ZINC001713316365 1178492728 /nfs/dbraw/zinc/49/27/28/1178492728.db2.gz PHEAOEQDGVMOPC-STQMWFEESA-N 2 0 273.396 1.315 10 0 CDAERP CCC[NH2+]C[C@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001713354019 1178516996 /nfs/dbraw/zinc/51/69/96/1178516996.db2.gz FYLSYAMNBBVTSU-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001713535870 1178631632 /nfs/dbraw/zinc/63/16/32/1178631632.db2.gz LBQFGAXNKMXDKY-UONOGXRCSA-N 2 0 269.433 1.422 10 0 CDAERP CC/C=C/CC[NH2+]CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001713592489 1178673535 /nfs/dbraw/zinc/67/35/35/1178673535.db2.gz WUDVYQXWKNCWDF-DWTRPJMMSA-N 2 0 293.455 1.733 10 0 CDAERP CN(CC[NH2+]C/C=C\Cl)C(=O)C12CCC[NH+](CCC1)C2 ZINC001713604768 1178677049 /nfs/dbraw/zinc/67/70/49/1178677049.db2.gz WJMCWHHJPXZFNK-DAXSKMNVSA-N 2 0 299.846 1.663 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CC[NH2+]CCCF)C1 ZINC001713625926 1178685495 /nfs/dbraw/zinc/68/54/95/1178685495.db2.gz ORHDGIMIGRAVON-AWEZNQCLSA-N 2 0 287.423 1.516 10 0 CDAERP CCCC[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001713643261 1178693574 /nfs/dbraw/zinc/69/35/74/1178693574.db2.gz FYZDVKIDJDKHIJ-GJZGRUSLSA-N 2 0 281.444 1.851 10 0 CDAERP CCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001713685191 1178707862 /nfs/dbraw/zinc/70/78/62/1178707862.db2.gz ZDBVHQOTGLTTHZ-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP CCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001713685190 1178708109 /nfs/dbraw/zinc/70/81/09/1178708109.db2.gz ZDBVHQOTGLTTHZ-GOEBONIOSA-N 2 0 295.471 1.955 10 0 CDAERP CCCC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001713961626 1178891864 /nfs/dbraw/zinc/89/18/64/1178891864.db2.gz GAZKJQXGKVAYKM-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP CC(C)CCC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001714018242 1178929767 /nfs/dbraw/zinc/92/97/67/1178929767.db2.gz NLXXEZUPQISJBN-GASCZTMLSA-N 2 0 281.444 1.755 10 0 CDAERP C[N@H+](CC(=O)N1CC[C@H]([NH2+]CCCCCF)C1)C1CCC1 ZINC001714325773 1179085898 /nfs/dbraw/zinc/08/58/98/1179085898.db2.gz IMUDMWURAOVRQR-AWEZNQCLSA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)CC[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001714541449 1179198391 /nfs/dbraw/zinc/19/83/91/1179198391.db2.gz ZXFPRYGCAQZJGQ-ZDUSSCGKSA-N 2 0 255.406 1.175 10 0 CDAERP CC(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001714623205 1179274492 /nfs/dbraw/zinc/27/44/92/1179274492.db2.gz WFIMSOOLHVCNHW-CQSZACIVSA-N 2 0 269.433 1.565 10 0 CDAERP CN(CC[NH2+]C/C=C/Cl)C(=O)C1([NH+](C)C)CCC1 ZINC001714717818 1179355894 /nfs/dbraw/zinc/35/58/94/1179355894.db2.gz SAKDHUNYRVMRFH-VMPITWQZSA-N 2 0 273.808 1.271 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]CC2CCCC2)C1 ZINC001714756498 1179379218 /nfs/dbraw/zinc/37/92/18/1179379218.db2.gz OEFDIZIKZPLSSU-AWEZNQCLSA-N 2 0 281.444 1.566 10 0 CDAERP CN(CC[NH2+]CC=C(Cl)Cl)C(=O)C[NH+]1CCCC1 ZINC001714794756 1179401092 /nfs/dbraw/zinc/40/10/92/1179401092.db2.gz JGWGWANBDOHEMF-UHFFFAOYSA-N 2 0 294.226 1.449 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC2(C[NH2+]CCCF)CCCC2)C1 ZINC001715104645 1179552340 /nfs/dbraw/zinc/55/23/40/1179552340.db2.gz UEDBUZYLUAUPLM-AWEZNQCLSA-N 2 0 299.434 1.706 10 0 CDAERP CCOCCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001715343989 1179635134 /nfs/dbraw/zinc/63/51/34/1179635134.db2.gz VNIBTMOZWWXITM-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP CCOCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001715343987 1179635171 /nfs/dbraw/zinc/63/51/71/1179635171.db2.gz VNIBTMOZWWXITM-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)[N@H+](C)CCN(C)C(=O)C(C)(C)c1cnc[nH]1 ZINC001715537011 1179706830 /nfs/dbraw/zinc/70/68/30/1179706830.db2.gz MXPBCTCWGUUFGA-UHFFFAOYSA-N 2 0 266.389 1.486 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001715962229 1179943532 /nfs/dbraw/zinc/94/35/32/1179943532.db2.gz IQPXINAZUXEACY-CYBMUJFWSA-N 2 0 257.422 1.467 10 0 CDAERP CCCCC[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001716043041 1180018694 /nfs/dbraw/zinc/01/86/94/1180018694.db2.gz DRKICERMEQUAOF-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP CCCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001716141555 1180069393 /nfs/dbraw/zinc/06/93/93/1180069393.db2.gz JBQSTNBUZWVYPU-BFHYXJOUSA-N 2 0 269.433 1.611 10 0 CDAERP O=C(CC[NH+]1CCCCC1)NC/C=C/C[NH2+]C/C=C/Cl ZINC001716380209 1180173649 /nfs/dbraw/zinc/17/36/49/1180173649.db2.gz YQHBNZVNBZQQLX-IQMDXYROSA-N 2 0 299.846 1.877 10 0 CDAERP C[C@H](C[NH2+]CCCCCF)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001716400984 1180187638 /nfs/dbraw/zinc/18/76/38/1180187638.db2.gz WWBKNFWOPDCHPC-ZIAGYGMSSA-N 2 0 287.423 1.705 10 0 CDAERP CC/C=C\CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001716628938 1180314907 /nfs/dbraw/zinc/31/49/07/1180314907.db2.gz PUEWGQTYKRXJME-UDLYIEAKSA-N 2 0 293.455 1.779 10 0 CDAERP CCCCC[N@@H+]1CC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001716672077 1180359191 /nfs/dbraw/zinc/35/91/91/1180359191.db2.gz WXYJNIYCSUVLLA-AWEZNQCLSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001716860716 1180444218 /nfs/dbraw/zinc/44/42/18/1180444218.db2.gz PVMFFVHTKJDHRK-WBVHZDCISA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001716990102 1180494435 /nfs/dbraw/zinc/49/44/35/1180494435.db2.gz DIZNWVZUEQJLGW-GJZGRUSLSA-N 2 0 283.460 1.668 10 0 CDAERP COCC[NH2+]C1(CNC(=O)C[C@H](C)n2ccnc2)CCC1 ZINC001717158709 1180553898 /nfs/dbraw/zinc/55/38/98/1180553898.db2.gz GNGNSEJZTQSOSL-ZDUSSCGKSA-N 2 0 294.399 1.109 10 0 CDAERP CCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001717473637 1180694499 /nfs/dbraw/zinc/69/44/99/1180694499.db2.gz UYMJQVLYCMOLKI-OCCSQVGLSA-N 2 0 267.417 1.175 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001717880197 1180909237 /nfs/dbraw/zinc/90/92/37/1180909237.db2.gz ZWAZOCKTQHUUHI-QWHCGFSZSA-N 2 0 255.406 1.223 10 0 CDAERP C[C@@H](O)C[NH2+]CCCN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001723024077 1181512392 /nfs/dbraw/zinc/51/23/92/1181512392.db2.gz XUZXWWGSQZJHIJ-CQSZACIVSA-N 2 0 299.459 1.070 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CCC[NH2+]C/C=C/Cl)C1 ZINC001723123297 1181519681 /nfs/dbraw/zinc/51/96/81/1181519681.db2.gz LNSDYZCHGFVAGW-VUUYWXRKSA-N 2 0 287.835 1.519 10 0 CDAERP CC(C)CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001724700994 1181729561 /nfs/dbraw/zinc/72/95/61/1181729561.db2.gz UPYBYQSMMVGSJK-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP CN(CC(C)(C)C[NH2+]CCF)C(=O)C1([NH+](C)C)CCC1 ZINC001725143082 1181881033 /nfs/dbraw/zinc/88/10/33/1181881033.db2.gz SZZVCJQPUKWVLJ-UHFFFAOYSA-N 2 0 287.423 1.514 10 0 CDAERP CCC[NH2+]C[C@H]1C[C@H](NC(=O)CCc2c[nH]cn2)C1 ZINC001725358758 1181972031 /nfs/dbraw/zinc/97/20/31/1181972031.db2.gz DMYBUENFCMIFSZ-AULYBMBSSA-N 2 0 264.373 1.237 10 0 CDAERP CCOCC[NH2+][C@H]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001731478583 1182410800 /nfs/dbraw/zinc/41/08/00/1182410800.db2.gz FAHXOJJWUONRCB-QLFBSQMISA-N 2 0 297.443 1.134 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]C(C)C ZINC001732753654 1183108466 /nfs/dbraw/zinc/10/84/66/1183108466.db2.gz HDWCTQYUPGQTSV-UONOGXRCSA-N 2 0 269.433 1.754 10 0 CDAERP CC(C)=CC[NH2+]CC[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001732755246 1183109837 /nfs/dbraw/zinc/10/98/37/1183109837.db2.gz RTJBSMQFECDBST-AWEZNQCLSA-N 2 0 269.433 1.777 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001732972669 1183212699 /nfs/dbraw/zinc/21/26/99/1183212699.db2.gz QEILQCCJAIXZLX-UONOGXRCSA-N 2 0 267.417 1.389 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001733011794 1183236648 /nfs/dbraw/zinc/23/66/48/1183236648.db2.gz OQJPTPDUNHDQHQ-STQMWFEESA-N 2 0 269.433 1.469 10 0 CDAERP CC[C@@H](C(=O)N(C)CCC[NH2+]Cc1cscn1)[NH+](C)C ZINC001733129564 1183302193 /nfs/dbraw/zinc/30/21/93/1183302193.db2.gz YIYIXONPXULVHS-ZDUSSCGKSA-N 2 0 298.456 1.421 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001733228594 1183355606 /nfs/dbraw/zinc/35/56/06/1183355606.db2.gz FLYTURPZOUERCH-HUUCEWRRSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)[NH2+]C[C@]1(C)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001733445990 1183435414 /nfs/dbraw/zinc/43/54/14/1183435414.db2.gz RWCZHAWNWYGUIB-HNNXBMFYSA-N 2 0 267.417 1.319 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@H](CC[NH2+]CC2CCC2)C1 ZINC001733674663 1183494534 /nfs/dbraw/zinc/49/45/34/1183494534.db2.gz RTBOWANPJRCHNC-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP C[NH+](C)CC1(C(=O)N2CCC(C)([NH2+]CCCF)CC2)CC1 ZINC001733866710 1183554842 /nfs/dbraw/zinc/55/48/42/1183554842.db2.gz ZXYFUSMELYZMFW-UHFFFAOYSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)(C(=O)N[C@H]1C[C@H](C[NH2+]CCF)C1)[NH+]1CCCC1 ZINC001734214385 1183693373 /nfs/dbraw/zinc/69/33/73/1183693373.db2.gz VEFWXVRLWJKESB-JOCQHMNTSA-N 2 0 285.407 1.315 10 0 CDAERP Cc1cc(C)cc([C@@H](O)C[NH2+]CCOCC[NH+](C)C)c1 ZINC000819210250 1164199292 /nfs/dbraw/zinc/19/92/92/1164199292.db2.gz APEGVEHHYAOTBP-INIZCTEOSA-N 2 0 280.412 1.505 10 0 CDAERP [NH3+]CCCOC1CC[NH+](C[C@@H]2CCC3(CCC3)O2)CC1 ZINC000712494220 723081640 /nfs/dbraw/zinc/08/16/40/723081640.db2.gz FNYHRZJRTKLAPM-HNNXBMFYSA-N 2 0 282.428 1.918 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000721475558 723088687 /nfs/dbraw/zinc/08/86/87/723088687.db2.gz ADNZWZMPIDMGOZ-WDEREUQCSA-N 2 0 284.322 1.264 10 0 CDAERP CC[N@@H+]1CC[C@H](CN[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925478636 723170848 /nfs/dbraw/zinc/17/08/48/723170848.db2.gz VUJZQDYKVMGALU-MCIONIFRSA-N 2 0 253.434 1.824 10 0 CDAERP C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H](CN)C1CC1 ZINC000923355703 723186304 /nfs/dbraw/zinc/18/63/04/723186304.db2.gz AQGQQEIADXGRLI-CHEQUFIKSA-N 2 0 251.418 1.576 10 0 CDAERP O[C@H](CC[C@@H](O)c1ccccc1)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000929312788 723210934 /nfs/dbraw/zinc/21/09/34/723210934.db2.gz LLRCGDAXMVCLIM-YYIAUSFCSA-N 2 0 290.407 1.012 10 0 CDAERP CCC[N@@H+]1CC[C@H](CN[C@H]2C[NH+]3C[C@@H]2CCC3)C1 ZINC000924751305 723234495 /nfs/dbraw/zinc/23/44/95/723234495.db2.gz KFDIHAORHWGKLX-ILXRZTDVSA-N 2 0 251.418 1.402 10 0 CDAERP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000924956951 723232566 /nfs/dbraw/zinc/23/25/66/723232566.db2.gz CLDWBWFRBBOBQE-QLPKVWCKSA-N 2 0 297.487 1.521 10 0 CDAERP CC[N@@H+](Cc1cccs1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923301672 723262101 /nfs/dbraw/zinc/26/21/01/723262101.db2.gz JYTVBCLBYVUFBK-GFCCVEGCSA-N 2 0 266.410 1.949 10 0 CDAERP C[C@H](C(=O)NC(C)(C)C)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923452320 723262782 /nfs/dbraw/zinc/26/27/82/723262782.db2.gz GEYUPNVGRFECKH-CHWSQXEVSA-N 2 0 297.443 1.119 10 0 CDAERP CN(CC1C[NH+](C)C1)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000852224000 723304565 /nfs/dbraw/zinc/30/45/65/723304565.db2.gz XSYFIJXBYWYAPM-KGLIPLIRSA-N 2 0 282.432 1.062 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000828942782 723396002 /nfs/dbraw/zinc/39/60/02/723396002.db2.gz AXRSPXZHVJCDDP-MBNYWOFBSA-N 2 0 271.380 1.067 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]CCCNc2ccccn2)C12CCC2 ZINC000925539013 723495717 /nfs/dbraw/zinc/49/57/17/723495717.db2.gz XTEGSFFWTGKEOU-OLZOCXBDSA-N 2 0 260.385 1.743 10 0 CDAERP C([C@@H]1CCC2(CCC2)O1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000712455048 723500568 /nfs/dbraw/zinc/50/05/68/723500568.db2.gz ZOWGVVHZSZGTFO-UONOGXRCSA-N 2 0 250.386 1.774 10 0 CDAERP C[C@@H](C(=O)NC1CC1)[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923503588 723511253 /nfs/dbraw/zinc/51/12/53/723511253.db2.gz MYKYMDGAVPXMRI-KBPBESRZSA-N 2 0 293.455 1.755 10 0 CDAERP C[NH2+][C@H]1CCN(C(=O)C[C@H]([NH3+])c2cc(C)nc(Cl)c2)C1 ZINC000832250251 723533542 /nfs/dbraw/zinc/53/35/42/723533542.db2.gz NNYCVFBHWYNUCN-RYUDHWBXSA-N 2 0 296.802 1.254 10 0 CDAERP C[C@@]1(C[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)CC[NH2+]C1 ZINC000843120137 723534483 /nfs/dbraw/zinc/53/44/83/723534483.db2.gz ZPMQTWYGZJLMOQ-DZGCQCFKSA-N 2 0 278.400 1.155 10 0 CDAERP C[NH+](C)C[C@H](Cc1ccccc1)N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925484782 723617130 /nfs/dbraw/zinc/61/71/30/723617130.db2.gz IGRCCMJYIWSLJZ-VIUKOLAESA-N 2 0 299.462 1.745 10 0 CDAERP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)CCCCCC[NH3+] ZINC000720902605 723663268 /nfs/dbraw/zinc/66/32/68/723663268.db2.gz UOKKDUBTQWVZFA-KBPBESRZSA-N 2 0 267.417 1.591 10 0 CDAERP CC[NH+](CC)C[C@H]1CCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261772789 723674521 /nfs/dbraw/zinc/67/45/21/723674521.db2.gz MUUXOOWFJYWTBR-CABCVRRESA-N 2 0 253.434 1.650 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@]1(C)CCCCO1 ZINC000927013106 723689247 /nfs/dbraw/zinc/68/92/47/723689247.db2.gz JNCFXEAUFURPQO-IXXDHKBRSA-N 2 0 252.402 1.875 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)Nc2ccc(O)cc2)CC[C@H]1C[NH3+] ZINC000923501083 723068737 /nfs/dbraw/zinc/06/87/37/723068737.db2.gz RQYAUJIGPKMESE-NEPJUHHUSA-N 2 0 277.368 1.247 10 0 CDAERP C[C@@H]1C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C[C@H](C)S1 ZINC000923308652 723092712 /nfs/dbraw/zinc/09/27/12/723092712.db2.gz HKBOZVJIOJMCJP-GRYCIOLGSA-N 2 0 256.415 1.191 10 0 CDAERP Cc1cc(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)ncn1 ZINC000923453211 723159504 /nfs/dbraw/zinc/15/95/04/723159504.db2.gz VPAOGBZXCWVNCU-CQSZACIVSA-N 2 0 276.384 1.115 10 0 CDAERP COC1(OC)CC[C@H]1NCCC[NH+]1CCC(C)CC1 ZINC000711043299 723350433 /nfs/dbraw/zinc/35/04/33/723350433.db2.gz VTPZAGJYQPQSJA-CQSZACIVSA-N 2 0 270.417 1.850 10 0 CDAERP Cc1cccc(C[C@H](CO)[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925644619 723361281 /nfs/dbraw/zinc/36/12/81/723361281.db2.gz KKRWDDDWMYTEQJ-OWCLPIDISA-N 2 0 274.408 1.758 10 0 CDAERP C(C[NH2+]C1CC1)CN1CC[NH+](C2CCCC2)CC1 ZINC000052062953 723396677 /nfs/dbraw/zinc/39/66/77/723396677.db2.gz AHNBKKKDLZSFFO-UHFFFAOYSA-N 2 0 251.418 1.689 10 0 CDAERP C/C=C(/CC)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870019475 723421629 /nfs/dbraw/zinc/42/16/29/723421629.db2.gz GLQJBSWHGCZROK-KWLXYHDNSA-N 2 0 281.444 1.541 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925786448 723604233 /nfs/dbraw/zinc/60/42/33/723604233.db2.gz ORTAMPZNUBYYKD-SLBVQIDZSA-N 2 0 265.445 1.600 10 0 CDAERP COC(=O)c1cc(CN(C)C2CC([NH3+])C2)ccc1C ZINC000872143690 723628631 /nfs/dbraw/zinc/62/86/31/723628631.db2.gz WAPKNZIAKTVLSK-UHFFFAOYSA-N 2 0 262.353 1.703 10 0 CDAERP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925726926 723641151 /nfs/dbraw/zinc/64/11/51/723641151.db2.gz MBWTWJNIEQSLQX-ATGSNQNLSA-N 3 0 251.418 1.482 10 0 CDAERP NC(=O)C12CCC(CC1)[N@@H+]2CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923531994 723665511 /nfs/dbraw/zinc/66/55/11/723665511.db2.gz WKSGOFRNAZFNHB-RXIZABGUSA-N 2 0 277.412 1.389 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000870886238 1165228070 /nfs/dbraw/zinc/22/80/70/1165228070.db2.gz ZOPWCFQBTYQXKS-ZMSDIMECSA-N 2 0 293.455 1.886 10 0 CDAERP [NH3+]C[C@H]1CCC[C@@H]1[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925882575 1166748812 /nfs/dbraw/zinc/74/88/12/1166748812.db2.gz QYPMCYJKVSNLMG-SIXLDLHFSA-N 3 0 273.424 1.763 10 0 CDAERP C[C@@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)C1C[NH2+]C1 ZINC000925882309 1166748838 /nfs/dbraw/zinc/74/88/38/1166748838.db2.gz NZLKJWIMTBBWAD-WQVCFCJDSA-N 2 0 259.397 1.243 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)NOC2CC[NH+](C)CC2)C1 ZINC001640577804 1167036714 /nfs/dbraw/zinc/03/67/14/1167036714.db2.gz JZSAHUDLAMWDGV-CYBMUJFWSA-N 2 0 283.416 1.249 10 0 CDAERP C[C@@H]([NH2+]CCC(C)(C)C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001381421826 976818057 /nfs/dbraw/zinc/81/80/57/976818057.db2.gz PRSHEWHOCYIMPS-OLZOCXBDSA-N 2 0 271.449 1.857 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001571484223 1167598360 /nfs/dbraw/zinc/59/83/60/1167598360.db2.gz BKWZZRMAXPRCEI-GJZGRUSLSA-N 2 0 293.455 1.873 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001566678930 1168386028 /nfs/dbraw/zinc/38/60/28/1168386028.db2.gz HWQXKCTWTDHWFM-HUUCEWRRSA-N 2 0 281.444 1.729 10 0 CDAERP O=C(C[NH+]1CCCC1)NCCC[C@@H]1CCC[N@H+]1CCCF ZINC001567266396 1168644039 /nfs/dbraw/zinc/64/40/39/1168644039.db2.gz LQSHNYWMAHLQDQ-OAHLLOKOSA-N 2 0 299.434 1.803 10 0 CDAERP CCC[N@H+](C)CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001567314312 1168674571 /nfs/dbraw/zinc/67/45/71/1168674571.db2.gz WHIVXSBZVALFMJ-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)[NH+](CCNC(=[NH2+])N[C@@H](C)C1CC1)C(C)C ZINC000080828559 894569942 /nfs/dbraw/zinc/56/99/42/894569942.db2.gz CJZBKBHYSCTKRK-LBPRGKRZSA-N 2 0 254.422 1.808 10 0 CDAERP CC/C=C/CC[N@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001480872867 894799818 /nfs/dbraw/zinc/79/98/18/894799818.db2.gz GEBSUBGVOXJXFC-VOTSOKGWSA-N 2 0 281.444 1.875 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001266533650 895255777 /nfs/dbraw/zinc/25/57/77/895255777.db2.gz NSSGGWRVCABLPV-CQSZACIVSA-N 2 0 267.417 1.342 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC2)C1)[NH+](C)C ZINC001266693452 895846454 /nfs/dbraw/zinc/84/64/54/895846454.db2.gz ZSQSBYWUNKUKMJ-MJBXVCDLSA-N 2 0 267.417 1.219 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001266725494 895923727 /nfs/dbraw/zinc/92/37/27/895923727.db2.gz JLBAMKUNVKMVCA-XQQFMLRXSA-N 2 0 255.406 1.364 10 0 CDAERP CC[C@H](F)C[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001266808250 896091398 /nfs/dbraw/zinc/09/13/98/896091398.db2.gz BRAFDANVBQQJOO-STQMWFEESA-N 2 0 273.396 1.267 10 0 CDAERP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)[C@H]1CCCOC1 ZINC000723967550 896304156 /nfs/dbraw/zinc/30/41/56/896304156.db2.gz CRXSUJUFNXJDDD-KKUMJFAQSA-N 2 0 270.417 1.238 10 0 CDAERP CCCC[NH2+]C1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001266915896 896334818 /nfs/dbraw/zinc/33/48/18/896334818.db2.gz PNTMOOJOTCZZOD-UHFFFAOYSA-N 2 0 293.455 1.899 10 0 CDAERP CCC[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001267118014 896841606 /nfs/dbraw/zinc/84/16/06/896841606.db2.gz ZDMHWAQZRURPJQ-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)[NH2+]CCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001567574161 1168866505 /nfs/dbraw/zinc/86/65/05/1168866505.db2.gz ZAXMFLLBQWGVID-UONOGXRCSA-N 2 0 267.417 1.460 10 0 CDAERP CC(C)C[C@H](CN[C@@H]1C[C@@H]([NH3+])C12CCC2)[NH+](C)C ZINC000405298975 897581846 /nfs/dbraw/zinc/58/18/46/897581846.db2.gz ILJGTTKKMHNNNJ-MGPQQGTHSA-N 2 0 253.434 1.822 10 0 CDAERP CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001496261714 898701377 /nfs/dbraw/zinc/70/13/77/898701377.db2.gz MYGSWXBRIHPXQM-KGLIPLIRSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[N@H+](CCCF)C1CC1 ZINC001481199479 899125145 /nfs/dbraw/zinc/12/51/45/899125145.db2.gz GXSIMSBFVKSLSL-ZIAGYGMSSA-N 2 0 299.434 1.799 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001267725856 899400697 /nfs/dbraw/zinc/40/06/97/899400697.db2.gz GVWOUYDNBUVFGU-UONOGXRCSA-N 2 0 267.417 1.460 10 0 CDAERP CCOC(=O)/C=C\C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000312152165 899570010 /nfs/dbraw/zinc/57/00/10/899570010.db2.gz WDOQOYTVMFUUTK-WAYWQWQTSA-N 2 0 280.412 1.914 10 0 CDAERP CC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](CC(C)C)C1)[NH+](C)C ZINC001267776311 899697375 /nfs/dbraw/zinc/69/73/75/899697375.db2.gz JFWOFQWUYHBAHI-ZIAGYGMSSA-N 2 0 269.433 1.515 10 0 CDAERP CN(CC[NH2+]Cc1ccc(F)cc1F)C(=O)CC[NH+](C)C ZINC001481277485 899924019 /nfs/dbraw/zinc/92/40/19/899924019.db2.gz QBLNDGPCEDKXFD-UHFFFAOYSA-N 2 0 299.365 1.465 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@H]1CC[C@H]([NH2+]CCCF)CC1 ZINC001267929999 899993270 /nfs/dbraw/zinc/99/32/70/899993270.db2.gz UXUSUEATZYYKMX-HDJSIYSDSA-N 2 0 287.423 1.705 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001268003654 900256909 /nfs/dbraw/zinc/25/69/09/900256909.db2.gz QYCOJSGEOFNNKP-CABCVRRESA-N 2 0 281.444 1.636 10 0 CDAERP CCC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001481372962 900506187 /nfs/dbraw/zinc/50/61/87/900506187.db2.gz SQQXHMIZGYEUSI-CVEARBPZSA-N 2 0 289.423 1.795 10 0 CDAERP O=C1OCC[C@H]1[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000692874677 900868612 /nfs/dbraw/zinc/86/86/12/900868612.db2.gz WWTMWCBBBLTIOO-CHWSQXEVSA-N 2 0 252.358 1.014 10 0 CDAERP CO[C@H](C)C[NH2+]CC[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001268378893 901961463 /nfs/dbraw/zinc/96/14/63/901961463.db2.gz CALMIBZBRDWTMY-ZIAGYGMSSA-N 2 0 297.443 1.134 10 0 CDAERP CC/C=C/CC[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268496983 902395413 /nfs/dbraw/zinc/39/54/13/902395413.db2.gz BOABAEQAAHLRDD-LQYUOIDQSA-N 2 0 281.444 1.733 10 0 CDAERP CCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001482119360 902660200 /nfs/dbraw/zinc/66/02/00/902660200.db2.gz XDJJXLJGWDJMQI-CABCVRRESA-N 2 0 283.460 1.859 10 0 CDAERP Cc1nc(C[NH2+]CCCN(C)C(=O)[C@H]2CCC[N@@H+]2C)co1 ZINC001498526734 902749015 /nfs/dbraw/zinc/74/90/15/902749015.db2.gz YFRLNFPYCOKSKU-CQSZACIVSA-N 2 0 294.399 1.015 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001482162342 902781383 /nfs/dbraw/zinc/78/13/83/902781383.db2.gz UKUQZJCOGUDTIM-CABCVRRESA-N 2 0 283.460 1.881 10 0 CDAERP COCC[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001268673892 902937791 /nfs/dbraw/zinc/93/77/91/902937791.db2.gz LYMZSBWDVGWZEE-HUUCEWRRSA-N 2 0 299.459 1.238 10 0 CDAERP C[C@H](C[N@H+](C)CCC1CC1)NC(=O)CC[NH+](C)C ZINC001268746871 903075736 /nfs/dbraw/zinc/07/57/36/903075736.db2.gz QGVAZLAMZCCTKC-GFCCVEGCSA-N 2 0 255.406 1.175 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001362080278 903177343 /nfs/dbraw/zinc/17/73/43/903177343.db2.gz WHDLCSVGDLOXFC-KKUMJFAQSA-N 2 0 283.460 1.953 10 0 CDAERP CCOCC[N@@H+]1CC[C@H](N(CC)C(=O)C[NH+]2CCCC2)C1 ZINC001269354775 903729367 /nfs/dbraw/zinc/72/93/67/903729367.db2.gz AUCBHKGXOKRHII-HNNXBMFYSA-N 2 0 297.443 1.042 10 0 CDAERP CCCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001269388698 903768802 /nfs/dbraw/zinc/76/88/02/903768802.db2.gz UXCVKEYYDQMQLA-ZDUSSCGKSA-N 2 0 267.417 1.509 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711350208 903854625 /nfs/dbraw/zinc/85/46/25/903854625.db2.gz HTGOCJQVLZTFGK-RYUDHWBXSA-N 2 0 255.406 1.079 10 0 CDAERP CC(C)CCC[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001270129402 904386125 /nfs/dbraw/zinc/38/61/25/904386125.db2.gz PNBWPIQCTAGNJH-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H]1C[NH2+]C/C=C/Cl ZINC001270129957 904387399 /nfs/dbraw/zinc/38/73/99/904387399.db2.gz XLSHPLRVKXGLTH-NTYUQYKDSA-N 2 0 273.808 1.271 10 0 CDAERP CC[C@@H](C(=O)NC1(C)CC[NH+](CCCOC)CC1)[NH+](C)C ZINC001270249216 904476534 /nfs/dbraw/zinc/47/65/34/904476534.db2.gz PSVPLBFWWOCYNA-AWEZNQCLSA-N 2 0 299.459 1.334 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@](C)(C[NH2+]CCC2CC2)C1 ZINC001270698801 904955916 /nfs/dbraw/zinc/95/59/16/904955916.db2.gz XMTHBNMSQRNACM-NVXWUHKLSA-N 2 0 293.455 1.709 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CCCC[C@@H]1CC[NH2+]CCCF ZINC001482460464 905696553 /nfs/dbraw/zinc/69/65/53/905696553.db2.gz JUUWQCJPJHIOPS-OAHLLOKOSA-N 2 0 299.434 1.803 10 0 CDAERP CC[N@@H+]1CC[C@@H]1CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC000922157714 921293989 /nfs/dbraw/zinc/29/39/89/921293989.db2.gz CXRDWCZXOIEJSG-CQSZACIVSA-N 2 0 276.384 1.118 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)CC1 ZINC000929275205 921323834 /nfs/dbraw/zinc/32/38/34/921323834.db2.gz HHWAEPOSYBERSK-IKGGRYGDSA-N 2 0 296.455 1.844 10 0 CDAERP CCC[NH2+]C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001272994302 921353860 /nfs/dbraw/zinc/35/38/60/921353860.db2.gz XWHBVJCTHWPJFZ-CYBMUJFWSA-N 2 0 255.406 1.319 10 0 CDAERP CC(C)CC[N@H+](C)CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001482603062 907855355 /nfs/dbraw/zinc/85/53/55/907855355.db2.gz RQTPLCQUGIFCMB-UHFFFAOYSA-N 2 0 283.460 1.907 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C/C=C\Cl)C1 ZINC001482665179 908156353 /nfs/dbraw/zinc/15/63/53/908156353.db2.gz ZAWMVBPJFKQQCW-TVERBUBISA-N 2 0 299.846 1.613 10 0 CDAERP CCN(CC[NH2+]CCC(F)(F)F)C(=O)CC[NH+](C)C ZINC001482947530 908530420 /nfs/dbraw/zinc/53/04/20/908530420.db2.gz LHVBKIAPELIJPP-UHFFFAOYSA-N 2 0 283.338 1.329 10 0 CDAERP C[N@H+](CC(=O)NC/C=C/C[NH2+]C/C=C\Cl)C1CCC1 ZINC001483019214 908696453 /nfs/dbraw/zinc/69/64/53/908696453.db2.gz WTEJCYQZXNXVDW-FBRVOWQISA-N 2 0 285.819 1.485 10 0 CDAERP CC(C)CC[NH2+]C/C=C/CNC(=O)C[NH+]1CCCC1 ZINC001483092508 909323314 /nfs/dbraw/zinc/32/33/14/909323314.db2.gz GGPXBPJRKOKIQW-ONEGZZNKSA-N 2 0 267.417 1.390 10 0 CDAERP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000713009073 909602396 /nfs/dbraw/zinc/60/23/96/909602396.db2.gz NGCJCAPJAIEBOW-UONOGXRCSA-N 2 0 283.460 1.844 10 0 CDAERP CC[C@@H](F)C[NH2+]CC1CC(NC(=O)CC[NH+](C)C)C1 ZINC001409311359 909749864 /nfs/dbraw/zinc/74/98/64/909749864.db2.gz SHFFYVLHCWRWLG-OTTFEQOBSA-N 2 0 273.396 1.171 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001483161411 909886642 /nfs/dbraw/zinc/88/66/42/909886642.db2.gz HKHIUYMTRSHXIF-CHWSQXEVSA-N 2 0 269.433 1.469 10 0 CDAERP C[NH+]1CCC(C[NH2+]C[C@@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000715484131 909942665 /nfs/dbraw/zinc/94/26/65/909942665.db2.gz UKXDGPWOCIIVEA-GJZGRUSLSA-N 2 0 252.402 1.875 10 0 CDAERP C[C@@H](NC(=O)Cc1cncn1C)[C@H](C)[NH2+]CCC1CC1 ZINC001409425610 910394509 /nfs/dbraw/zinc/39/45/09/910394509.db2.gz UTLOZDPJSQVPHL-NWDGAFQWSA-N 2 0 278.400 1.246 10 0 CDAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[N@H+](C)CCC1CC1 ZINC001409626056 910569212 /nfs/dbraw/zinc/56/92/12/910569212.db2.gz AVGCBISGLGDUNC-CYBMUJFWSA-N 2 0 279.428 1.319 10 0 CDAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[N@H+](C)CCC(C)(C)C ZINC001409635153 910573462 /nfs/dbraw/zinc/57/34/62/910573462.db2.gz JISHQWNKELAZRC-CQSZACIVSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[NH+]1CCC([NH2+][C@H]2CC(=O)N(CC3CC3)C2)CC1 ZINC000716772948 910685028 /nfs/dbraw/zinc/68/50/28/910685028.db2.gz HPKDEFZDJHSYCJ-HNNXBMFYSA-N 2 0 279.428 1.460 10 0 CDAERP CCC(CC)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001483318191 910864762 /nfs/dbraw/zinc/86/47/62/910864762.db2.gz BIKFPTXOCGVKCH-HIFRSBDPSA-N 2 0 283.460 1.953 10 0 CDAERP CCC[NH2+]CC[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001568068375 1169130869 /nfs/dbraw/zinc/13/08/69/1169130869.db2.gz VWLDWGBMEBBEFL-CQSZACIVSA-N 2 0 269.433 1.566 10 0 CDAERP C[C@@H](C[N@H+](C)CCC(F)(F)F)NC(=O)C[NH+]1CCCC1 ZINC001483422814 911099957 /nfs/dbraw/zinc/09/99/57/911099957.db2.gz VYGLKBLPRTXBTJ-NSHDSACASA-N 2 0 295.349 1.471 10 0 CDAERP CC[C@H](C(=O)N(C)CCC[NH2+]C[C@H]1CCCOC1)[NH+](C)C ZINC001483474635 911166387 /nfs/dbraw/zinc/16/63/87/911166387.db2.gz SMVDQTISAMWPHQ-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP CCCC[NH2+]C[C@H](NC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001483567302 911269335 /nfs/dbraw/zinc/26/93/35/911269335.db2.gz ZNDFWCBGQQMHBL-AWEZNQCLSA-N 2 0 281.444 1.755 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]C/C=C/Cl)C1CC1 ZINC001483569627 911275362 /nfs/dbraw/zinc/27/53/62/911275362.db2.gz BYDDTLDKMIIJKH-JFILWDKHSA-N 2 0 299.846 1.708 10 0 CDAERP CC(C)=CC[NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001483784256 915061579 /nfs/dbraw/zinc/06/15/79/915061579.db2.gz RELKUVNBNABXAA-CQSZACIVSA-N 2 0 279.428 1.533 10 0 CDAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1([NH2+]CCC2CC2)CC1 ZINC001483793467 915074480 /nfs/dbraw/zinc/07/44/80/915074480.db2.gz FZQOSKIINYENKG-KBPBESRZSA-N 2 0 293.455 1.898 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]C/C=C/Cl)CCN1C(=O)CC[NH+](C)C ZINC001483907574 915204856 /nfs/dbraw/zinc/20/48/56/915204856.db2.gz CNRQTLCECAXWOC-SXQWRXASSA-N 2 0 287.835 1.660 10 0 CDAERP CCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001484126063 915449987 /nfs/dbraw/zinc/44/99/87/915449987.db2.gz SRRYGBKRJFPTPA-GOEBONIOSA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC1CC1 ZINC001484467750 915794145 /nfs/dbraw/zinc/79/41/45/915794145.db2.gz OUYZXCUVIJGFJB-HOTGVXAUSA-N 2 0 293.455 1.802 10 0 CDAERP CC[C@@H](F)C[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001493806460 915810275 /nfs/dbraw/zinc/81/02/75/915810275.db2.gz JIMBHWJNPNREJO-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP CCC[NH2+]CC[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001484545795 915874815 /nfs/dbraw/zinc/87/48/15/915874815.db2.gz WJAZXLQCGWLKNS-AWEZNQCLSA-N 2 0 269.433 1.566 10 0 CDAERP CC(C)[NH2+]C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001484571922 915897284 /nfs/dbraw/zinc/89/72/84/915897284.db2.gz NJVPRNSILYZTDQ-HDJSIYSDSA-N 2 0 269.433 1.611 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC2CC2)CC1(C)C ZINC001484938121 916287640 /nfs/dbraw/zinc/28/76/40/916287640.db2.gz VLECHJWGAMARBS-AWEZNQCLSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)=CC[N@@H+](C)[C@@H](C)CNC(=O)Cn1cncc1C ZINC001485331386 916830227 /nfs/dbraw/zinc/83/02/27/916830227.db2.gz VITKIDYSCXAMOK-ZDUSSCGKSA-N 2 0 278.400 1.594 10 0 CDAERP C[N@@H+]1CC[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)CC[C@@H]21 ZINC000827233638 936509033 /nfs/dbraw/zinc/50/90/33/936509033.db2.gz QRXFCBLSYYKSER-SFTQSGBHSA-N 2 0 274.368 1.066 10 0 CDAERP C[NH+](C)C1(C)CCC(NC(=O)C2([NH3+])CCC2)CC1 ZINC000715559085 919840581 /nfs/dbraw/zinc/84/05/81/919840581.db2.gz QRYCSWKZGPKZMX-UHFFFAOYSA-N 2 0 253.390 1.247 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCF ZINC001272938602 920529925 /nfs/dbraw/zinc/52/99/25/920529925.db2.gz NSRMOUKAPMFESV-OLZOCXBDSA-N 2 0 271.380 1.021 10 0 CDAERP CC(C)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001485873263 920536505 /nfs/dbraw/zinc/53/65/05/920536505.db2.gz MMWKFJDZPWTHNB-CABCVRRESA-N 2 0 283.460 1.952 10 0 CDAERP CC[C@H](C)C[NH2+][C@@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001485920495 920579074 /nfs/dbraw/zinc/57/90/74/920579074.db2.gz UGUDWCQVQUMIGY-STQMWFEESA-N 2 0 257.422 1.421 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]([NH2+]CCCF)C(C)(C)C1 ZINC001486236208 920832382 /nfs/dbraw/zinc/83/23/82/920832382.db2.gz OBUUSQHIDLRDCB-KGLIPLIRSA-N 2 0 299.434 1.657 10 0 CDAERP C[C@H](NC(=O)C[NH+]1CCCC1)C1C[NH+](CCC2CC2)C1 ZINC001409969150 922365889 /nfs/dbraw/zinc/36/58/89/922365889.db2.gz IQLMGDGVMHCZEX-ZDUSSCGKSA-N 2 0 279.428 1.319 10 0 CDAERP C[NH+]1CCC(C[N@@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)CC1 ZINC000709842979 923229365 /nfs/dbraw/zinc/22/93/65/923229365.db2.gz BFXYLHUCQHJJCT-NWDGAFQWSA-N 2 0 280.334 1.431 10 0 CDAERP Cc1nocc1C[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001491048494 936846199 /nfs/dbraw/zinc/84/61/99/936846199.db2.gz SYUQCAQJAGQIBH-OKILXGFUSA-N 2 0 294.399 1.062 10 0 CDAERP [NH3+]CCC[N@H+](CCO[C@H]1CCOC1)CC1CCCC1 ZINC000923353733 923773239 /nfs/dbraw/zinc/77/32/39/923773239.db2.gz MFOBIRBENQAADI-HNNXBMFYSA-N 2 0 270.417 1.633 10 0 CDAERP COCC[N@H+](CCC[NH2+]C1CC1)CC1CC[NH+](C)CC1 ZINC000923409191 923815139 /nfs/dbraw/zinc/81/51/39/923815139.db2.gz BIMBECUZWIUHEB-UHFFFAOYSA-N 3 0 283.460 1.419 10 0 CDAERP CC(C)CCOCC[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923449380 923842130 /nfs/dbraw/zinc/84/21/30/923842130.db2.gz NOMSZEHQFRMJBY-HNNXBMFYSA-N 2 0 284.444 1.879 10 0 CDAERP CNC(=O)c1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000923496114 923870869 /nfs/dbraw/zinc/87/08/69/923870869.db2.gz GRQYHVIMKSEYCK-WFASDCNBSA-N 2 0 275.396 1.463 10 0 CDAERP C[C@H]1C[N@H+](Cc2cc(CO)ccc2F)CC[C@@H]1C[NH3+] ZINC000923489845 923876259 /nfs/dbraw/zinc/87/62/59/923876259.db2.gz MDTOSMJGTMVPSX-WCQYABFASA-N 2 0 266.360 1.735 10 0 CDAERP CC(C)N(C(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1)C(C)C ZINC000923504191 923884882 /nfs/dbraw/zinc/88/48/82/923884882.db2.gz PPHNILVRTPMEPX-KGLIPLIRSA-N 2 0 269.433 1.549 10 0 CDAERP CC[NH2+]CC[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001568396770 1169270877 /nfs/dbraw/zinc/27/08/77/1169270877.db2.gz LUKJCUQTVXZHBB-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@@H](C(=O)N1CCCC[C@H]1CC[NH2+]CCOC)[NH+](C)C ZINC001568393520 1169271614 /nfs/dbraw/zinc/27/16/14/1169271614.db2.gz NDVVTWMSKISRCW-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP CCC[C@@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC001198428497 925421297 /nfs/dbraw/zinc/42/12/97/925421297.db2.gz HFIARWCRIULQPD-CQSZACIVSA-N 2 0 267.417 1.461 10 0 CDAERP CCC[N@H+](CC)CCCNC(=O)C[NH+]1CCCC1 ZINC001490362281 927156783 /nfs/dbraw/zinc/15/67/83/927156783.db2.gz TUSVPJLUSKIKCP-UHFFFAOYSA-N 2 0 255.406 1.320 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1CC)C[C@@H](C)O ZINC001490361361 927157978 /nfs/dbraw/zinc/15/79/78/927157978.db2.gz KVDIEHJMHSUHKX-CABCVRRESA-N 2 0 299.459 1.070 10 0 CDAERP C[C@H](C[N@H+](C)CC1CC(C)(C)C1)NC(=O)CC[NH+](C)C ZINC001439367026 927282671 /nfs/dbraw/zinc/28/26/71/927282671.db2.gz UMUWWIDOYDCGAZ-CYBMUJFWSA-N 2 0 283.460 1.811 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@H]([NH2+]CC1CCC1)C1CC1 ZINC001490739649 927314586 /nfs/dbraw/zinc/31/45/86/927314586.db2.gz JNOZGAKKMWZMTF-HNNXBMFYSA-N 2 0 279.428 1.367 10 0 CDAERP CO[C@@H](C)C[NH2+]CCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001317636696 928261041 /nfs/dbraw/zinc/26/10/41/928261041.db2.gz QCJYRBNZGFCTJB-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP CCN(C(=O)C1CC[NH+](C2CC2)CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000855492362 928426622 /nfs/dbraw/zinc/42/66/22/928426622.db2.gz ZVNQXZKNZRGOKJ-MRXNPFEDSA-N 2 0 293.455 1.804 10 0 CDAERP CC(C)(C)[NH2+]CCC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000690377659 928947051 /nfs/dbraw/zinc/94/70/51/928947051.db2.gz WUYTYUIIQXFODZ-GFCCVEGCSA-N 2 0 269.433 1.754 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CCC[N@H+](C)CC2)C1 ZINC001135486775 930221052 /nfs/dbraw/zinc/22/10/52/930221052.db2.gz GPQNOFFIMOJUCL-UONOGXRCSA-N 2 0 267.417 1.271 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)[C@@H](O)c1cccc(F)c1 ZINC000817919500 930632288 /nfs/dbraw/zinc/63/22/88/930632288.db2.gz RXABFUNNCWUEOK-TUKIKUTGSA-N 2 0 284.375 1.591 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)CC1CC([NH3+])C1 ZINC000718048984 931578359 /nfs/dbraw/zinc/57/83/59/931578359.db2.gz CQSYCJMWXCHQFU-PNESKVBLSA-N 2 0 253.390 1.104 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]CC1CCCC1 ZINC001275479857 931820962 /nfs/dbraw/zinc/82/09/62/931820962.db2.gz COKHQNOOBPLOHU-QWHCGFSZSA-N 2 0 269.433 1.611 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CC ZINC001275574638 931888396 /nfs/dbraw/zinc/88/83/96/931888396.db2.gz ZTQASMGWUJIEJH-STQMWFEESA-N 2 0 255.406 1.317 10 0 CDAERP CN(CC(C)(C)C[NH2+]CCF)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001275732130 931985128 /nfs/dbraw/zinc/98/51/28/931985128.db2.gz CKZQHSOWENMPRM-ZDUSSCGKSA-N 2 0 287.423 1.372 10 0 CDAERP CC[N@@H+]1CC[C@H]1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001411819281 932048467 /nfs/dbraw/zinc/04/84/67/932048467.db2.gz ZRWMAPPWAMTPRE-CABCVRRESA-N 2 0 279.428 1.415 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CCF ZINC001275807117 932053161 /nfs/dbraw/zinc/05/31/61/932053161.db2.gz QOGHBJKFJZDRJO-ZIAGYGMSSA-N 2 0 287.423 1.562 10 0 CDAERP CCN1C[C@@H](C[NH+]2CCC(C[NH+](CC)CC)CC2)OC1=O ZINC000846773070 932132877 /nfs/dbraw/zinc/13/28/77/932132877.db2.gz FAJMOLHJOXLNCJ-OAHLLOKOSA-N 2 0 297.443 1.881 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)N2CC[N@H+](C)C(C)(C)C2)C1 ZINC001412041843 932230468 /nfs/dbraw/zinc/23/04/68/932230468.db2.gz JEVFBERALGREQW-KBPBESRZSA-N 2 0 281.444 1.659 10 0 CDAERP CC(C)[C@H](C(=O)N(C)CCC[NH2+]Cc1ccon1)[NH+](C)C ZINC001276215394 932659598 /nfs/dbraw/zinc/65/95/98/932659598.db2.gz VVEOMHSEDPOUMB-CQSZACIVSA-N 2 0 296.415 1.199 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H](O)c1ccco1 ZINC000924611441 932803973 /nfs/dbraw/zinc/80/39/73/932803973.db2.gz BJAOEQHAKXSWRV-JIROBOQZSA-N 2 0 250.342 1.243 10 0 CDAERP C[N@@H+]1CCC[C@@]2(CC[NH+](CC3CCC(O)CC3)C2)C1 ZINC001118500574 937634258 /nfs/dbraw/zinc/63/42/58/937634258.db2.gz JCZCRDRRENKQRN-UYSNPLJNSA-N 2 0 266.429 1.955 10 0 CDAERP COCCC[NH+]1CCC(N[C@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000925578335 932909638 /nfs/dbraw/zinc/90/96/38/932909638.db2.gz VGNYYFOWNADYQA-CABCVRRESA-N 2 0 281.444 1.347 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC000925609538 932914484 /nfs/dbraw/zinc/91/44/84/932914484.db2.gz VTABFUZISFLJKT-OAGGEKHMSA-N 3 0 297.487 1.719 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+][C@H](CO)C[C@@H](O)c2ccccc2)C12CCC2 ZINC000925627055 932917712 /nfs/dbraw/zinc/91/77/12/932917712.db2.gz VWCWTWIYOLWJTF-JJXSEGSLSA-N 2 0 290.407 1.331 10 0 CDAERP CC1(C)[C@@H]([NH2+]CC[C@@H]2CCOC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925637431 932918504 /nfs/dbraw/zinc/91/85/04/932918504.db2.gz LDMRQYLAYRWWKS-MQYQWHSLSA-N 2 0 252.402 1.779 10 0 CDAERP C[C@H]1[C@H](C)OC[C@H]1[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000925653530 932922319 /nfs/dbraw/zinc/92/23/19/932922319.db2.gz MSCUEGALACARRV-KCQAQPDRSA-N 2 0 293.411 1.535 10 0 CDAERP CC1(C)C[C@@H]([NH2+][C@H]2CCc3nc[nH]c3C2)C[C@@H]([NH3+])C1 ZINC000925669594 932924449 /nfs/dbraw/zinc/92/44/49/932924449.db2.gz VXIZDZRMIOPQRX-WOPDTQHZSA-N 2 0 262.401 1.763 10 0 CDAERP C[C@@H](CCCCO)[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925679841 932926829 /nfs/dbraw/zinc/92/68/29/932926829.db2.gz MTQPGFZTFJXLDK-CRWXNKLISA-N 2 0 254.418 1.904 10 0 CDAERP C1=C[C@@H](C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)[C@H]2CO[C@@H]1C2 ZINC000925833165 932943078 /nfs/dbraw/zinc/94/30/78/932943078.db2.gz UZTHOGWKIQOWOV-ONOZVPBYSA-N 2 0 260.381 1.164 10 0 CDAERP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)CCC2(O)CCC2)C1 ZINC000929791245 933271047 /nfs/dbraw/zinc/27/10/47/933271047.db2.gz QRIZTCSXJPVCMM-LSDHHAIUSA-N 2 0 284.444 1.316 10 0 CDAERP CCOC(=O)[C@@H]1C[C@H]1C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000929998422 933295356 /nfs/dbraw/zinc/29/53/56/933295356.db2.gz CSCLFUKHGARQGV-LXTVHRRPSA-N 2 0 282.428 1.848 10 0 CDAERP CO[C@H](C[NH+]1CCC(O)(C[NH+](C)C)CC1)C1CCCC1 ZINC000931480101 933569765 /nfs/dbraw/zinc/56/97/65/933569765.db2.gz LSJAVXBJVLFWPH-OAHLLOKOSA-N 2 0 284.444 1.580 10 0 CDAERP CC(=O)NCCCCC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC001119852813 937760176 /nfs/dbraw/zinc/76/01/76/937760176.db2.gz WUFFUCBNEWASLT-OAHLLOKOSA-N 2 0 269.433 1.709 10 0 CDAERP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1C(F)(F)F ZINC000720809242 935248805 /nfs/dbraw/zinc/24/88/05/935248805.db2.gz FWMXCUNEFCTPNJ-AEJSXWLSSA-N 2 0 252.280 1.092 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001493210156 935569151 /nfs/dbraw/zinc/56/91/51/935569151.db2.gz GZVPTCYSSRETJV-GJZGRUSLSA-N 2 0 295.471 1.955 10 0 CDAERP COCC(COC)[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001413099157 935903223 /nfs/dbraw/zinc/90/32/23/935903223.db2.gz QRRCDRURBOSXOT-IYBDPMFKSA-N 2 0 282.428 1.456 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)C1 ZINC001413519779 936122190 /nfs/dbraw/zinc/12/21/90/936122190.db2.gz JHQTVGQPARESRZ-ZJIFWQFVSA-N 2 0 293.455 1.802 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cccnc1)[NH+](C)C ZINC001568679269 1169427823 /nfs/dbraw/zinc/42/78/23/1169427823.db2.gz JRIMRHQZAKNLNS-ZFWWWQNUSA-N 2 0 292.427 1.406 10 0 CDAERP Cc1nn(C)c(C)c1C[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000400373420 940848145 /nfs/dbraw/zinc/84/81/45/940848145.db2.gz UUWXKVRPYHUCLY-JTQLQIEISA-N 2 0 250.390 1.515 10 0 CDAERP Cc1cc(C)n(CCC[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)n1 ZINC000405344371 940984381 /nfs/dbraw/zinc/98/43/81/940984381.db2.gz KDSAHHIMZHDKEZ-KBPBESRZSA-N 2 0 262.401 1.750 10 0 CDAERP C[C@@H]1OC[C@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)[C@@H]1C ZINC000405554402 940991146 /nfs/dbraw/zinc/99/11/46/940991146.db2.gz CAOADNGORZNQNX-RDBSUJKOSA-N 2 0 269.433 1.025 10 0 CDAERP CC(C)[NH+]1CCC(N(C)C(=O)[C@H](C)CC[NH+](C)C)CC1 ZINC001362033291 970797196 /nfs/dbraw/zinc/79/71/96/970797196.db2.gz QKLLSOZBDILUHC-CQSZACIVSA-N 2 0 283.460 1.905 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC001362052614 970822421 /nfs/dbraw/zinc/82/24/21/970822421.db2.gz CTBJOOFIMCJARY-GXTWGEPZSA-N 2 0 287.473 1.128 10 0 CDAERP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1C[NH+](CCCCCF)C1 ZINC001282693207 942740621 /nfs/dbraw/zinc/74/06/21/942740621.db2.gz MMQUBAJKLXFQTC-DZGCQCFKSA-N 2 0 299.434 1.657 10 0 CDAERP CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[NH+]1CCCC1 ZINC001283555680 942932457 /nfs/dbraw/zinc/93/24/57/942932457.db2.gz JMECOZVUCJPTJD-CQSZACIVSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)CC[NH+]2CC[C@@H](F)C2)C1 ZINC001362163351 970963644 /nfs/dbraw/zinc/96/36/44/970963644.db2.gz VMRXDHQKGWCUCK-UONOGXRCSA-N 2 0 285.407 1.267 10 0 CDAERP CC(C)[NH2+]C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001284209930 943111751 /nfs/dbraw/zinc/11/17/51/943111751.db2.gz KQKUYNBYSMOOJQ-STQMWFEESA-N 2 0 255.406 1.221 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001284242379 943128373 /nfs/dbraw/zinc/12/83/73/943128373.db2.gz MCRZFKDZXRWIRP-ZIAGYGMSSA-N 2 0 279.428 1.367 10 0 CDAERP CC[C@H](C(=O)N(C)C1CN(CCCOC(C)C)C1)[NH+](C)C ZINC001277618166 943145768 /nfs/dbraw/zinc/14/57/68/943145768.db2.gz NQXZJXDHDMDFAL-OAHLLOKOSA-N 2 0 299.459 1.284 10 0 CDAERP CCC[NH2+]C[C@@H](NC(=O)CCc1c[nH]cn1)C(C)(C)C ZINC001284597142 943221117 /nfs/dbraw/zinc/22/11/17/943221117.db2.gz FOBYLPKLTYOMNX-CYBMUJFWSA-N 2 0 280.416 1.873 10 0 CDAERP c1cc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)cc[nH+]1 ZINC001262672821 943664831 /nfs/dbraw/zinc/66/48/31/943664831.db2.gz NVEDBTAETGZJEK-CQSZACIVSA-N 2 0 261.369 1.773 10 0 CDAERP CC(C)[NH2+][C@H](C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001277938069 944128452 /nfs/dbraw/zinc/12/84/52/944128452.db2.gz NSQSMMAZTRPRDK-QWHCGFSZSA-N 2 0 255.406 1.173 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](CCF)C1CC1 ZINC001265156247 944253839 /nfs/dbraw/zinc/25/38/39/944253839.db2.gz SAMMGCAUTTXISD-CYBMUJFWSA-N 2 0 271.380 1.021 10 0 CDAERP CCOCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001265304069 944332504 /nfs/dbraw/zinc/33/25/04/944332504.db2.gz VBPUDFIMOXCXDN-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001265422538 944382371 /nfs/dbraw/zinc/38/23/71/944382371.db2.gz PVDPRBNWICXJKI-STQMWFEESA-N 2 0 253.390 1.071 10 0 CDAERP CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001331346728 944526754 /nfs/dbraw/zinc/52/67/54/944526754.db2.gz KIDIQDFAUMIHTD-GJZGRUSLSA-N 2 0 283.460 1.809 10 0 CDAERP CC(C)C[NH2+][C@H]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001266069559 944663745 /nfs/dbraw/zinc/66/37/45/944663745.db2.gz XKOVJUSQLOVXGL-UONOGXRCSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@@H](F)CC[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001568905712 1169544044 /nfs/dbraw/zinc/54/40/44/1169544044.db2.gz DICQXRLDUPRGCK-BXHRYTIMSA-N 2 0 299.434 1.727 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCCF)C1 ZINC001479470064 971329754 /nfs/dbraw/zinc/32/97/54/971329754.db2.gz DSLMAONSCSKLLZ-BFHYXJOUSA-N 2 0 285.407 1.315 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)C1 ZINC001362485229 971326251 /nfs/dbraw/zinc/32/62/51/971326251.db2.gz SBAMBROSBUUADQ-XQLPTFJDSA-N 2 0 279.428 1.127 10 0 CDAERP C[C@@H](O)C[N@H+](C)CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001479800602 971426888 /nfs/dbraw/zinc/42/68/88/971426888.db2.gz PTWMFLYUNBFXFR-CABCVRRESA-N 2 0 299.459 1.070 10 0 CDAERP CCOCCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001278415654 947813823 /nfs/dbraw/zinc/81/38/23/947813823.db2.gz ZOCHUGXKEANCCO-ZBFHGGJFSA-N 2 0 297.443 1.088 10 0 CDAERP CC[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001479878742 971458483 /nfs/dbraw/zinc/45/84/83/971458483.db2.gz JLTRJDUIWKZIBB-UHFFFAOYSA-N 2 0 265.401 1.073 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C[NH2+]CCOC)C(C)(C)C)[NH+](C)C ZINC001279021756 948608505 /nfs/dbraw/zinc/60/85/05/948608505.db2.gz PDONKEKETAEJBO-QWHCGFSZSA-N 2 0 287.448 1.094 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001480045738 971554196 /nfs/dbraw/zinc/55/41/96/971554196.db2.gz YEVNTHCSECDNCK-HUUCEWRRSA-N 2 0 299.434 1.561 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H](F)CC)C1 ZINC001480206697 971628921 /nfs/dbraw/zinc/62/89/21/971628921.db2.gz IMTMNDALGUREIF-XQLPTFJDSA-N 2 0 299.434 1.846 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CCF)C1 ZINC001480287391 971658587 /nfs/dbraw/zinc/65/85/87/971658587.db2.gz YMVCXKGDFCGGSF-LSDHHAIUSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001480303751 971663244 /nfs/dbraw/zinc/66/32/44/971663244.db2.gz GRWLOJOXRDQUBI-INIZCTEOSA-N 2 0 293.455 1.877 10 0 CDAERP C[NH+](C)CCC(=O)N1CCCC[C@@H]1C[NH2+]CC1CC1 ZINC001480359205 971687114 /nfs/dbraw/zinc/68/71/14/971687114.db2.gz JRFMIPMKLJGSAD-CQSZACIVSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001480487802 971751877 /nfs/dbraw/zinc/75/18/77/971751877.db2.gz ZPLNVSVGTSDAEQ-KBPBESRZSA-N 2 0 269.433 1.611 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@H]([N@H+](C)CCCOC)C1)[NH+](C)C ZINC001480728820 971853275 /nfs/dbraw/zinc/85/32/75/971853275.db2.gz AOWFAMDTIZEPSA-LSDHHAIUSA-N 2 0 299.459 1.286 10 0 CDAERP CC(C)[NH2+][C@@H](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001480793000 971880242 /nfs/dbraw/zinc/88/02/42/971880242.db2.gz VPEALMSZUUPPKH-STQMWFEESA-N 2 0 255.406 1.221 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N2CC[C@H](CC[NH+](C)C)C2)C1 ZINC001363566411 953464821 /nfs/dbraw/zinc/46/48/21/953464821.db2.gz YGEFSNASOUXJNO-HOTGVXAUSA-N 2 0 295.471 1.907 10 0 CDAERP C[NH2+]CCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC001325312564 953831207 /nfs/dbraw/zinc/83/12/07/953831207.db2.gz ZRHRCLJJSINEJW-KBPBESRZSA-N 2 0 294.374 1.090 10 0 CDAERP CC[N@@H+]1C[C@@H]2CCCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001325956990 954158079 /nfs/dbraw/zinc/15/80/79/954158079.db2.gz WTCLPYWCVPRXRL-LSDHHAIUSA-N 2 0 281.444 1.661 10 0 CDAERP C[NH2+]C[C@H](C)CNC(=O)C[C@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC001326002098 954178781 /nfs/dbraw/zinc/17/87/81/954178781.db2.gz SXDGCIAEYJZQOE-CABZTGNLSA-N 2 0 298.818 1.405 10 0 CDAERP CC[N@H+](C)[C@H]1CCN(C(=O)NCC[NH+]2CCC[C@@H]2C)C1 ZINC001364347881 954487376 /nfs/dbraw/zinc/48/73/76/954487376.db2.gz DYBOKKPKOBBNKO-KBPBESRZSA-N 2 0 282.432 1.206 10 0 CDAERP C[N@@H+]1C[C@@H]2CN(C[C@H]3CCC[C@]4(CCOC4)O3)C[C@]2(C)C1 ZINC001364499891 954692485 /nfs/dbraw/zinc/69/24/85/954692485.db2.gz DHTGGHDYXLPVEN-WCXIOVBPSA-N 2 0 294.439 1.598 10 0 CDAERP CC(C)OCCC[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001493549901 972080224 /nfs/dbraw/zinc/08/02/24/972080224.db2.gz BRHQMLFIKQJKCB-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CC(C)(C)C1 ZINC001491637059 955337708 /nfs/dbraw/zinc/33/77/08/955337708.db2.gz HZRVBSIGUABKTN-KBPBESRZSA-N 2 0 295.471 1.859 10 0 CDAERP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cccc(F)c1 ZINC001491674125 955379351 /nfs/dbraw/zinc/37/93/51/955379351.db2.gz MUOIEPKHVQZMHV-CYBMUJFWSA-N 2 0 293.386 1.516 10 0 CDAERP C[C@@H](CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)C[NH+]1CCOCC1 ZINC001421556979 955408545 /nfs/dbraw/zinc/40/85/45/955408545.db2.gz JNHFINYGGJPTDV-IXDOHACOSA-N 2 0 295.471 1.371 10 0 CDAERP CC(C)[NH2+]CC[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001421591180 955423816 /nfs/dbraw/zinc/42/38/16/955423816.db2.gz YXMSGQREMPWXGF-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@@H](F)CC[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CCC1 ZINC001421765861 955533616 /nfs/dbraw/zinc/53/36/16/955533616.db2.gz KLIVFFBVOYNQBY-UONOGXRCSA-N 2 0 299.434 1.705 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CCF ZINC001492031203 955620752 /nfs/dbraw/zinc/62/07/52/955620752.db2.gz JNJHMVQSKHPGJH-CHWSQXEVSA-N 2 0 273.396 1.315 10 0 CDAERP Cc1conc1C[NH2+][C@H](C)CCNC(=O)C[NH+]1CCCC1 ZINC001492127375 955637570 /nfs/dbraw/zinc/63/75/70/955637570.db2.gz DLPRJRBOLVUEAZ-CYBMUJFWSA-N 2 0 294.399 1.063 10 0 CDAERP CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001492129858 955640761 /nfs/dbraw/zinc/64/07/61/955640761.db2.gz SXAWOFDSSBTPFL-OLZOCXBDSA-N 2 0 255.406 1.365 10 0 CDAERP CC(C)[NH2+][C@H](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001493837490 972123478 /nfs/dbraw/zinc/12/34/78/972123478.db2.gz UTSIICOHRTYHNL-CYBMUJFWSA-N 2 0 269.433 1.563 10 0 CDAERP CC[C@@](O)(C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1)C(F)(F)F ZINC001365317472 955885037 /nfs/dbraw/zinc/88/50/37/955885037.db2.gz QJVOYIYQDHNSDW-GRYCIOLGSA-N 2 0 280.334 1.573 10 0 CDAERP C[C@@H]1CN(C[C@H](O)C[N@H+](C)C2CC2)CC[NH+]1C1CCCC1 ZINC001422255568 955895210 /nfs/dbraw/zinc/89/52/10/955895210.db2.gz XFVSYEUUAALCKU-RHSMWYFYSA-N 2 0 295.471 1.390 10 0 CDAERP CC(C)OCC[C@@H](O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001365332978 955908437 /nfs/dbraw/zinc/90/84/37/955908437.db2.gz BUGGZQOCZQLGFW-KFWWJZLASA-N 2 0 270.417 1.046 10 0 CDAERP C[NH+](C)CC[C@H]1CCN(C(=O)C(C)(C)c2cnc[nH]2)C1 ZINC001363398018 972137894 /nfs/dbraw/zinc/13/78/94/972137894.db2.gz IVZOCMVWASLPAY-LBPRGKRZSA-N 2 0 278.400 1.488 10 0 CDAERP CCN(CC[NH2+]C(C)C)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001422448843 956015668 /nfs/dbraw/zinc/01/56/68/956015668.db2.gz GYKYFWKJOBGVRH-GJZGRUSLSA-N 2 0 281.444 1.850 10 0 CDAERP C[C@H](C[NH2+]Cc1ccsc1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001422515859 956110944 /nfs/dbraw/zinc/11/09/44/956110944.db2.gz NLNXYZHNEBSPGH-TZMCWYRMSA-N 2 0 295.452 1.827 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NC1(C[NH2+]CCF)CCCCC1 ZINC001329837252 956134721 /nfs/dbraw/zinc/13/47/21/956134721.db2.gz FGHBWGBZEGXKIV-CYBMUJFWSA-N 2 0 285.407 1.459 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NC1(C[NH2+]CCCF)CCCCC1 ZINC001329837594 956135952 /nfs/dbraw/zinc/13/59/52/956135952.db2.gz IAJWBPYZUWCLBQ-CQSZACIVSA-N 2 0 299.434 1.849 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCCc2cn(C)cn2)C1 ZINC001365641109 956256507 /nfs/dbraw/zinc/25/65/07/956256507.db2.gz BMWNGKZDFUPFKK-CQSZACIVSA-N 2 0 293.415 1.087 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001330686185 956563370 /nfs/dbraw/zinc/56/33/70/956563370.db2.gz JPRXSYHMGXXOBZ-SHTZXODSSA-N 2 0 291.439 1.533 10 0 CDAERP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1)c1ccccc1 ZINC001366153894 956607367 /nfs/dbraw/zinc/60/73/67/956607367.db2.gz GRBRMBCSVWXIKO-CWRNSKLLSA-N 2 0 289.423 1.936 10 0 CDAERP C[NH+](C)CCC(=O)NCC1([NH2+]CC2CC(F)(F)C2)CC1 ZINC001423273743 956700053 /nfs/dbraw/zinc/70/00/53/956700053.db2.gz KOPGPNUQYIVGGC-UHFFFAOYSA-N 2 0 289.370 1.222 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](CCC2CC2)C1 ZINC001494288296 972207389 /nfs/dbraw/zinc/20/73/89/972207389.db2.gz GNNYBQBADZHWQQ-CQSZACIVSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)[N@@H+]1CC[C@@]2(NC(=O)CCC[NH+](C)C)CCC[C@H]12 ZINC001423356811 956738615 /nfs/dbraw/zinc/73/86/15/956738615.db2.gz VNONDPPWPFPRLF-HOCLYGCPSA-N 2 0 281.444 1.850 10 0 CDAERP CC(C)[N@@H+]1CC[C@]2(NC(=O)CCC[NH+](C)C)CCC[C@H]12 ZINC001423356810 956738896 /nfs/dbraw/zinc/73/88/96/956738896.db2.gz VNONDPPWPFPRLF-GOEBONIOSA-N 2 0 281.444 1.850 10 0 CDAERP C[C@@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCC1CC1 ZINC001366467402 956852837 /nfs/dbraw/zinc/85/28/37/956852837.db2.gz DLVVKVMWVWXELJ-ZFWWWQNUSA-N 2 0 281.444 1.755 10 0 CDAERP CC[NH2+]CCCOCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001331236207 956908633 /nfs/dbraw/zinc/90/86/33/956908633.db2.gz ASJVCYZHXJXGJN-HUUCEWRRSA-N 2 0 297.443 1.136 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001317065849 956948307 /nfs/dbraw/zinc/94/83/07/956948307.db2.gz STEWNSIWIIQUQS-STQMWFEESA-N 2 0 255.406 1.175 10 0 CDAERP CC[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CC1CCC1)[NH+](C)C ZINC001366671348 957103823 /nfs/dbraw/zinc/10/38/23/957103823.db2.gz NYBTWRPXPPLQFF-HUUCEWRRSA-N 2 0 281.444 1.707 10 0 CDAERP CCCC[NH2+][C@H](C)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001331574893 957146178 /nfs/dbraw/zinc/14/61/78/957146178.db2.gz ARWRVAHGYPWVBV-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)=CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001316981501 957174491 /nfs/dbraw/zinc/17/44/91/957174491.db2.gz HLLMBLDFPQJBIB-CQSZACIVSA-N 2 0 279.428 1.627 10 0 CDAERP O=C(NC[C@@H]([NH2+]CCCF)C1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001317013908 957202248 /nfs/dbraw/zinc/20/22/48/957202248.db2.gz QEAWBOKYNCSEEB-HUUCEWRRSA-N 2 0 297.418 1.172 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CCC(C)C)[C@@H](C)C1 ZINC001424468106 957244547 /nfs/dbraw/zinc/24/45/47/957244547.db2.gz IJCZPCLBOXCLIM-GJZGRUSLSA-N 2 0 283.460 1.811 10 0 CDAERP Cc1nocc1C[NH2+]CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001569266736 1169741490 /nfs/dbraw/zinc/74/14/90/1169741490.db2.gz FVCXREZSGOIAKE-UHFFFAOYSA-N 2 0 294.399 1.017 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001317190658 957333268 /nfs/dbraw/zinc/33/32/68/957333268.db2.gz VYYURDFNTDTXHE-HNNXBMFYSA-N 2 0 293.455 1.996 10 0 CDAERP Cc1ncc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CC[NH+](C)C)s1 ZINC001424811977 957366944 /nfs/dbraw/zinc/36/69/44/957366944.db2.gz WIOLXGYRLPZTSA-GHMZBOCLSA-N 2 0 298.456 1.386 10 0 CDAERP CC(C)OCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001317242759 957374785 /nfs/dbraw/zinc/37/47/85/957374785.db2.gz RWSFVWLQYVRMJN-LSDHHAIUSA-N 2 0 299.459 1.379 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCCF ZINC001317246920 957377626 /nfs/dbraw/zinc/37/76/26/957377626.db2.gz XUVYGVGETQQPBB-STQMWFEESA-N 2 0 273.396 1.315 10 0 CDAERP C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]CCCF ZINC001317262610 957388003 /nfs/dbraw/zinc/38/80/03/957388003.db2.gz DMAHLEYIOALSPU-GFCCVEGCSA-N 2 0 275.412 1.418 10 0 CDAERP COCCC[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001331997465 957390605 /nfs/dbraw/zinc/39/06/05/957390605.db2.gz PCZWXSLCQWGKCW-KBPBESRZSA-N 2 0 297.443 1.086 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+]C/C=C\Cl)C1 ZINC001317339759 957429599 /nfs/dbraw/zinc/42/95/99/957429599.db2.gz OJAJSVGSUZBFJM-LLPBQKLSSA-N 2 0 287.835 1.519 10 0 CDAERP O=C(N1CC[C@@H](C[NH2+]CCCF)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC001317342138 957431112 /nfs/dbraw/zinc/43/11/12/957431112.db2.gz GNNSWTPMFWWMJD-HOCLYGCPSA-N 2 0 297.418 1.270 10 0 CDAERP CC(C)C[NH2+][C@H](C)CCNC(=O)C[NH+]1CCCC1 ZINC001317414281 957461205 /nfs/dbraw/zinc/46/12/05/957461205.db2.gz PMYGBTJNVSYLFI-CYBMUJFWSA-N 2 0 255.406 1.223 10 0 CDAERP C[C@H](CN(C)C(=O)CCC[NH+](C)C)[NH2+]CC1CCCC1 ZINC001425627972 957586171 /nfs/dbraw/zinc/58/61/71/957586171.db2.gz LOCFBZWRZWVURY-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N(C)CC[NH2+]C/C=C\Cl)CC[N@@H+]1C ZINC001317623224 957605221 /nfs/dbraw/zinc/60/52/21/957605221.db2.gz SFEMSYRDXMQOBJ-ODBHDECVSA-N 2 0 287.835 1.517 10 0 CDAERP CC[N@@H+]1CC[C@]2(NC(=O)CCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001425913621 957640759 /nfs/dbraw/zinc/64/07/59/957640759.db2.gz RYVXGZDYVWXNCY-NVXWUHKLSA-N 2 0 293.455 1.996 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CCCF)[C@H]1C ZINC001425938759 957645846 /nfs/dbraw/zinc/64/58/46/957645846.db2.gz NFPLDUNCFVHASL-UONOGXRCSA-N 2 0 287.423 1.655 10 0 CDAERP CCC[NH+]1CCC([C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001426182045 957822777 /nfs/dbraw/zinc/82/27/77/957822777.db2.gz KFFGWPNENLXMKP-CQSZACIVSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+]1CCC(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC001332880627 957911350 /nfs/dbraw/zinc/91/13/50/957911350.db2.gz YJVUQRMYWPNPQO-CQSZACIVSA-N 3 0 251.418 1.593 10 0 CDAERP CC(C)=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001318215755 957978936 /nfs/dbraw/zinc/97/89/36/957978936.db2.gz INFNDUQXCKYRQT-GJZGRUSLSA-N 2 0 279.428 1.580 10 0 CDAERP Cc1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+](C)C)c1 ZINC001367376209 957979075 /nfs/dbraw/zinc/97/90/75/957979075.db2.gz MLHCEFUULNGNBC-OAHLLOKOSA-N 2 0 291.439 1.883 10 0 CDAERP C[NH+](C)CCCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCC1 ZINC001318224213 957979046 /nfs/dbraw/zinc/97/90/46/957979046.db2.gz OYQYIBDRDRQJCT-HOTGVXAUSA-N 2 0 293.455 1.804 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C[NH2+]C(C)C)CC(C)C)[NH+](C)C ZINC001367415266 958003021 /nfs/dbraw/zinc/00/30/21/958003021.db2.gz CKCRXXUZLYSFLV-ZIAGYGMSSA-N 2 0 271.449 1.856 10 0 CDAERP CC(C)[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC1CC(C)C1 ZINC001367493533 958056368 /nfs/dbraw/zinc/05/63/68/958056368.db2.gz HRLWEKYGMOAFMP-UYSNPLJNSA-N 2 0 295.471 1.859 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@@](C)(C[NH2+]CCCF)C1CC1 ZINC001318689214 958231624 /nfs/dbraw/zinc/23/16/24/958231624.db2.gz WQVPQTZNROGKIX-ZFWWWQNUSA-N 2 0 285.407 1.315 10 0 CDAERP Cc1nocc1C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001367742333 958291583 /nfs/dbraw/zinc/29/15/83/958291583.db2.gz XDTPNKRSEFMWPI-SMDDNHRTSA-N 2 0 294.399 1.062 10 0 CDAERP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)C[NH2+]CCC1CC1 ZINC001319238890 958450285 /nfs/dbraw/zinc/45/02/85/958450285.db2.gz YCHCPGUYHZMIBF-CYBMUJFWSA-N 2 0 281.444 1.470 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]CCC1CCCC1 ZINC001319284807 958476230 /nfs/dbraw/zinc/47/62/30/958476230.db2.gz WYFFMBSWRHNJAZ-HOCLYGCPSA-N 2 0 295.471 1.860 10 0 CDAERP CC[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CCF ZINC001495001327 972370750 /nfs/dbraw/zinc/37/07/50/972370750.db2.gz STYSRHVAQOVUKM-OLZOCXBDSA-N 2 0 273.396 1.315 10 0 CDAERP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CC)CCC1(F)F)[NH+](C)C ZINC001368255964 958729143 /nfs/dbraw/zinc/72/91/43/958729143.db2.gz WXHDRZSYQKMETC-NEPJUHHUSA-N 2 0 291.386 1.420 10 0 CDAERP CCOCC[NH2+][C@@H](CC)CNC(=O)C12CCC[NH+]1CCC2 ZINC001495012360 972373677 /nfs/dbraw/zinc/37/36/77/972373677.db2.gz FJENKMANSWGQDZ-AWEZNQCLSA-N 2 0 297.443 1.136 10 0 CDAERP Cc1n[nH]c(C)c1C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001334053757 958796047 /nfs/dbraw/zinc/79/60/47/958796047.db2.gz AHNOSILXTKRZOX-HNNXBMFYSA-N 2 0 262.401 1.992 10 0 CDAERP CC(C)=CC[N@@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001320080588 958927823 /nfs/dbraw/zinc/92/78/23/958927823.db2.gz OUSQXMSJLUBLFB-UHFFFAOYSA-N 2 0 267.417 1.439 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CCC[N@H+](CCF)CC1)[NH+](C)C ZINC001368534118 958938656 /nfs/dbraw/zinc/93/86/56/958938656.db2.gz PPDGVBNDEFHVQI-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP CN(CCC[N@H+](C)CCF)C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001368551179 958956709 /nfs/dbraw/zinc/95/67/09/958956709.db2.gz ZEWWXCBAGDTDGY-CABCVRRESA-N 2 0 299.434 1.753 10 0 CDAERP CN(CCC[N@H+](C)CCF)C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001368551183 958957543 /nfs/dbraw/zinc/95/75/43/958957543.db2.gz ZEWWXCBAGDTDGY-HUUCEWRRSA-N 2 0 299.434 1.753 10 0 CDAERP C[C@@H](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]C/C=C\Cl ZINC001368740832 959094260 /nfs/dbraw/zinc/09/42/60/959094260.db2.gz IMZFTZDFFRVYHX-MEJFOKSDSA-N 2 0 287.835 1.565 10 0 CDAERP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccsc1 ZINC001368750503 959101113 /nfs/dbraw/zinc/10/11/13/959101113.db2.gz WVRDDGACWXYYOV-GXTWGEPZSA-N 2 0 295.452 1.684 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]CC1CC1 ZINC001368754298 959107790 /nfs/dbraw/zinc/10/77/90/959107790.db2.gz KWTOCAPDWQLENV-DZGCQCFKSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]CCC1CCOCC1 ZINC001368874121 959214872 /nfs/dbraw/zinc/21/48/72/959214872.db2.gz WWXMEJDWDNXMDE-KBPBESRZSA-N 2 0 299.459 1.238 10 0 CDAERP C[C@H](CC[NH2+]CCF)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001320560592 959241952 /nfs/dbraw/zinc/24/19/52/959241952.db2.gz CETSOKJBMWTSQI-KGLIPLIRSA-N 2 0 287.423 1.705 10 0 CDAERP CCN(CC[NH2+]CCOC)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001320863322 959430818 /nfs/dbraw/zinc/43/08/18/959430818.db2.gz QDNFPMVRRVIGLL-HNNXBMFYSA-N 2 0 299.459 1.335 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C)C1C[NH+](CC2CC2)C1)[NH+](CC)CC ZINC001369093603 959451940 /nfs/dbraw/zinc/45/19/40/959451940.db2.gz NRXMQFBCPYDZCD-BBRMVZONSA-N 2 0 295.471 1.953 10 0 CDAERP CC[N@@H+]1C[C@H](NC(=O)CCCn2ccnc2)C(C)(C)C1 ZINC001369126530 959477539 /nfs/dbraw/zinc/47/75/39/959477539.db2.gz VLZYXEGCAIIYLH-ZDUSSCGKSA-N 2 0 278.400 1.510 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccccc1 ZINC001371246063 972432811 /nfs/dbraw/zinc/43/28/11/972432811.db2.gz WJXQVFYLKYFIJO-GDBMZVCRSA-N 2 0 289.423 1.765 10 0 CDAERP CC(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001369233844 959556829 /nfs/dbraw/zinc/55/68/29/959556829.db2.gz WQVBLBGUGAXHBV-GDBMZVCRSA-N 2 0 295.471 1.811 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001369284893 959605161 /nfs/dbraw/zinc/60/51/61/959605161.db2.gz XTMYPCIPSXQCSU-AWEZNQCLSA-N 2 0 299.459 1.190 10 0 CDAERP O=C(C[NH+]1CCCC1)NC/C=C\C[NH2+]CC1CCC1 ZINC001321403552 959768456 /nfs/dbraw/zinc/76/84/56/959768456.db2.gz OIRCUQMTNCBWKF-UPHRSURJSA-N 2 0 265.401 1.144 10 0 CDAERP COCCC[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001321693521 959909188 /nfs/dbraw/zinc/90/91/88/959909188.db2.gz QGVOKQWLFRTBGP-CQSZACIVSA-N 2 0 299.459 1.238 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)[NH2+]CC2CC2)C1 ZINC001371321794 972470715 /nfs/dbraw/zinc/47/07/15/972470715.db2.gz IXQVYOUDRIVDKI-DZGCQCFKSA-N 2 0 281.444 1.613 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]([NH2+]Cc1cncs1)C1CC1 ZINC001370210038 960022967 /nfs/dbraw/zinc/02/29/67/960022967.db2.gz CDYLOZUXZGBYIZ-CYBMUJFWSA-N 2 0 296.440 1.079 10 0 CDAERP C[C@@H](F)CC[NH2+][C@@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001370214573 960024313 /nfs/dbraw/zinc/02/43/13/960024313.db2.gz LZDLRVIIUPVLOP-DOMZBBRYSA-N 2 0 299.434 1.561 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]C/C(Cl)=C\Cl)C1 ZINC001370511736 960135712 /nfs/dbraw/zinc/13/57/12/960135712.db2.gz AIRKBFGIAYETRE-CWDWSRFCSA-N 2 0 294.226 1.494 10 0 CDAERP CC(C)CC[N@@H+]1CCC[C@@H](CNC(=O)Cc2c[nH]cn2)C1 ZINC001370775260 960197217 /nfs/dbraw/zinc/19/72/17/960197217.db2.gz LUNKMAHTBMAPAL-AWEZNQCLSA-N 2 0 292.427 1.827 10 0 CDAERP CO[C@H](C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001370904674 960230065 /nfs/dbraw/zinc/23/00/65/960230065.db2.gz BNOBAFFVKLLVQJ-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCC2CC2)CC1 ZINC001433419366 960320822 /nfs/dbraw/zinc/32/08/22/960320822.db2.gz IOEHWIUBOPKTJM-MRXNPFEDSA-N 2 0 293.455 1.804 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC(CC[NH2+]CCCF)CC2)C1 ZINC001495446300 972503546 /nfs/dbraw/zinc/50/35/46/972503546.db2.gz VFGHBQHVNZSCIL-OAHLLOKOSA-N 2 0 299.434 1.516 10 0 CDAERP CCCC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001323111034 960459535 /nfs/dbraw/zinc/45/95/35/960459535.db2.gz ZOAMBTWTQOWIMA-ZIAGYGMSSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001433703473 960535688 /nfs/dbraw/zinc/53/56/88/960535688.db2.gz IQPPJKBUVJWPQP-HUUCEWRRSA-N 2 0 281.444 1.661 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1CCC1CC1 ZINC001418595843 960773348 /nfs/dbraw/zinc/77/33/48/960773348.db2.gz AMVGZHPAMWRRBG-HNNXBMFYSA-N 2 0 281.444 1.659 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)CC1 ZINC001434033072 960909446 /nfs/dbraw/zinc/90/94/46/960909446.db2.gz YVMIYCHHWQOBMA-ZBFHGGJFSA-N 2 0 295.471 1.905 10 0 CDAERP CC[C@@H](F)CN1CC(CNC(=O)CCCn2ccnc2)C1 ZINC001419047655 961299582 /nfs/dbraw/zinc/29/95/82/961299582.db2.gz KFDDBYKGRMKYNW-CQSZACIVSA-N 2 0 296.390 1.459 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001419452302 961722009 /nfs/dbraw/zinc/72/20/09/961722009.db2.gz UJFBNGLECIJTLL-HUUCEWRRSA-N 2 0 281.444 1.659 10 0 CDAERP CCC(CC)C[NH2+][C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001419735121 962052119 /nfs/dbraw/zinc/05/21/19/962052119.db2.gz DDARRNFPZKYSBQ-BBRMVZONSA-N 2 0 295.471 1.859 10 0 CDAERP CCC(CC)C[NH2+][C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001419735129 962053947 /nfs/dbraw/zinc/05/39/47/962053947.db2.gz DDARRNFPZKYSBQ-XJKSGUPXSA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC1CC1 ZINC001419889390 962205412 /nfs/dbraw/zinc/20/54/12/962205412.db2.gz NHMSMWUXUVWMKS-GJZGRUSLSA-N 2 0 281.444 1.611 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cscn2)C1 ZINC001436390378 962234066 /nfs/dbraw/zinc/23/40/66/962234066.db2.gz MNDDVBQEXPEXLS-HAQNSBGRSA-N 2 0 296.440 1.079 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)C1CC[NH+](CC2CC2)CC1 ZINC001436700720 962353349 /nfs/dbraw/zinc/35/33/49/962353349.db2.gz OROWEZXDJDISKX-UHFFFAOYSA-N 2 0 281.444 1.659 10 0 CDAERP CC(C)CCC[N@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001420052753 962425737 /nfs/dbraw/zinc/42/57/37/962425737.db2.gz UVRNAJGVVSWGPL-UHFFFAOYSA-N 2 0 283.460 1.909 10 0 CDAERP CC(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C(C)C ZINC001436863219 962464850 /nfs/dbraw/zinc/46/48/50/962464850.db2.gz ZPOFCANWVMABMW-GASCZTMLSA-N 2 0 281.444 1.658 10 0 CDAERP C[C@H](C[NH2+]CC1CCCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001420294053 962695752 /nfs/dbraw/zinc/69/57/52/962695752.db2.gz VVTKGWBFBBFOJN-UMVBOHGHSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cccnc1 ZINC001437421512 962874936 /nfs/dbraw/zinc/87/49/36/962874936.db2.gz JPVDHNQSINBEBT-UKRRQHHQSA-N 2 0 290.411 1.018 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CC[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001420538351 963028403 /nfs/dbraw/zinc/02/84/03/963028403.db2.gz ZMEPLDLFRFXWFC-UONOGXRCSA-N 2 0 299.434 1.657 10 0 CDAERP CC[C@H](C[N@@H+]1CC[C@H](CNC(=O)C[NH+](C)C(C)C)C1)OC ZINC001420556509 963057067 /nfs/dbraw/zinc/05/70/67/963057067.db2.gz LOTBBHXJLUSFLR-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@@H](C[N@H+](C)CC[C@H]1CCCO1)NC(=O)C[NH+]1CCCC1 ZINC001420656290 963163389 /nfs/dbraw/zinc/16/33/89/963163389.db2.gz DQRWKPXFVLSRII-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]CC2CCCC2)C2CC2)C1 ZINC001420788864 963240877 /nfs/dbraw/zinc/24/08/77/963240877.db2.gz OMXYTVXMNZCNBX-HZPDHXFCSA-N 2 0 293.455 1.613 10 0 CDAERP C[NH+](C)CCCC(=O)NC[C@H]1CC[N@@H+]1CC1CC(C)(C)C1 ZINC001420860921 963312453 /nfs/dbraw/zinc/31/24/53/963312453.db2.gz LLXGJMPRKOLULL-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC)[NH+](CC)CC ZINC001438175982 963352266 /nfs/dbraw/zinc/35/22/66/963352266.db2.gz ZNISSAVZMTWTDI-SOUVJXGZSA-N 2 0 281.444 1.802 10 0 CDAERP O=C(NCC1([NH2+]C/C=C/Cl)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001420943235 963375220 /nfs/dbraw/zinc/37/52/20/963375220.db2.gz VGQSBZZFXWQDKP-WZIBOORMSA-N 2 0 297.830 1.319 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC(C[N@H+](C)CCC2CC2)CC1 ZINC001420955157 963382674 /nfs/dbraw/zinc/38/26/74/963382674.db2.gz TWWCVCSKNUUKSV-UHFFFAOYSA-N 2 0 295.471 1.909 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001420990096 963400783 /nfs/dbraw/zinc/40/07/83/963400783.db2.gz JAQJEHKIQAWCIO-CQSZACIVSA-N 2 0 299.434 1.705 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1C[NH+](CCCF)C1 ZINC001421136217 963471299 /nfs/dbraw/zinc/47/12/99/963471299.db2.gz IXSOZGYHBVXOKY-CQSZACIVSA-N 2 0 285.407 1.268 10 0 CDAERP CC(C)C[C@@H](C[NH2+]CC1CC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001438734775 963539705 /nfs/dbraw/zinc/53/97/05/963539705.db2.gz NJAGXABEKUKXSV-CABCVRRESA-N 2 0 281.444 1.469 10 0 CDAERP C[C@H](C[NH2+]Cc1ccccc1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001439150989 963656459 /nfs/dbraw/zinc/65/64/59/963656459.db2.gz BACPJTCRMWJYCF-LSDHHAIUSA-N 2 0 289.423 1.623 10 0 CDAERP Cc1ccc(C[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C)cc1F ZINC001439246369 963690137 /nfs/dbraw/zinc/69/01/37/963690137.db2.gz SBDXMHKYSRMEIQ-ZDUSSCGKSA-N 2 0 295.402 1.680 10 0 CDAERP CCC[N@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001439409290 963754685 /nfs/dbraw/zinc/75/46/85/963754685.db2.gz POJFQDNXYYFVRS-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001439785632 963859714 /nfs/dbraw/zinc/85/97/14/963859714.db2.gz WPAVXMIRRBZPEZ-LSDHHAIUSA-N 2 0 295.471 1.955 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001440390328 964010026 /nfs/dbraw/zinc/01/00/26/964010026.db2.gz PJVRYJMMEVYZGK-FDBDUNSKSA-N 2 0 299.846 1.708 10 0 CDAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH+](C)CCC1CC1 ZINC001440974268 964304003 /nfs/dbraw/zinc/30/40/03/964304003.db2.gz TXPXVJSXCFGCCK-KBPBESRZSA-N 2 0 281.444 1.565 10 0 CDAERP COCC[N@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001441030728 964336859 /nfs/dbraw/zinc/33/68/59/964336859.db2.gz GKFQLTIVSBYBGW-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)CCC[NH+]1CC([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001441181488 964409862 /nfs/dbraw/zinc/40/98/62/964409862.db2.gz PDYKBPMXYNZISN-AWEZNQCLSA-N 2 0 283.460 1.811 10 0 CDAERP CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001441226576 964424424 /nfs/dbraw/zinc/42/44/24/964424424.db2.gz MDYAKJFQSSWLJL-INIZCTEOSA-N 2 0 297.443 1.040 10 0 CDAERP CC[N@H+](CCNC(=O)C[NH+](C)C(C)C)CC1CC(C)C1 ZINC001442754377 965200558 /nfs/dbraw/zinc/20/05/58/965200558.db2.gz FRRUBUDMWWEVTK-UHFFFAOYSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@@H](F)CC[N@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)C1CC1 ZINC001443036019 965329862 /nfs/dbraw/zinc/32/98/62/965329862.db2.gz VDPXBLQWQZWFPV-UONOGXRCSA-N 2 0 299.434 1.657 10 0 CDAERP CCCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CCCF)C1 ZINC001443179077 965381977 /nfs/dbraw/zinc/38/19/77/965381977.db2.gz SBFRIHLBRRFXPK-GJZGRUSLSA-N 2 0 299.434 1.753 10 0 CDAERP CC(C)[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001569412181 1169867468 /nfs/dbraw/zinc/86/74/68/1169867468.db2.gz ZVHPPUDXAFQACE-UHFFFAOYSA-N 2 0 267.417 1.508 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC001443319882 965438237 /nfs/dbraw/zinc/43/82/37/965438237.db2.gz GSDGVPAUWYHYSL-KBPBESRZSA-N 2 0 287.423 1.467 10 0 CDAERP CC[NH2+]C[C@@](C)(NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC1 ZINC001444109871 965738001 /nfs/dbraw/zinc/73/80/01/965738001.db2.gz JIUKGFFMTTUJPV-SQWLQELKSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccccc1F)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001445530336 966227235 /nfs/dbraw/zinc/22/72/35/966227235.db2.gz MLQRZYHQUAFIEZ-WFASDCNBSA-N 2 0 293.386 1.514 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccccc1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001445570722 966243022 /nfs/dbraw/zinc/24/30/22/966243022.db2.gz XTGKBHAIMCRBTG-GOEBONIOSA-N 2 0 289.423 1.765 10 0 CDAERP C[C@H](CN(C)C/C=C\Cl)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001445850445 966364404 /nfs/dbraw/zinc/36/44/04/966364404.db2.gz HVMBYGJKMYVQRG-RMKKPPKKSA-N 2 0 287.835 1.517 10 0 CDAERP O=C(C[NH+]1CCCC1)NCC1([NH2+]CC2CCCC2)CC1 ZINC001446279271 966504316 /nfs/dbraw/zinc/50/43/16/966504316.db2.gz ULCQNHRXONIVOP-UHFFFAOYSA-N 2 0 279.428 1.511 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CCC[C@@H]1C[NH2+]C(C)C ZINC001446437856 966543967 /nfs/dbraw/zinc/54/39/67/966543967.db2.gz CRXYQIGROLHIKY-ZIAGYGMSSA-N 2 0 287.423 1.655 10 0 CDAERP CC(C)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001446575514 966588767 /nfs/dbraw/zinc/58/87/67/966588767.db2.gz UIYUFMADLWMVAM-HOCLYGCPSA-N 2 0 281.444 1.565 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[NH+](CC2CC2)C1 ZINC001446664401 966610787 /nfs/dbraw/zinc/61/07/87/966610787.db2.gz PGHYHQPOGOFTPD-DOTOQJQBSA-N 2 0 293.455 1.709 10 0 CDAERP CC[NH2+][C@H](C)c1ccc(CNC(=O)CC[NH+](C)C)cc1 ZINC001447089642 966697102 /nfs/dbraw/zinc/69/71/02/966697102.db2.gz SYVHTSNTDCCMNU-CYBMUJFWSA-N 2 0 277.412 1.925 10 0 CDAERP CO[C@@H](C)C[N@H+](C)CCCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001447371706 966770204 /nfs/dbraw/zinc/77/02/04/966770204.db2.gz UVTPFVQGKDPEDP-LSDHHAIUSA-N 2 0 299.459 1.143 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC(C)([NH2+]CCC3CC3)CC2)C1 ZINC001447574346 966820855 /nfs/dbraw/zinc/82/08/55/966820855.db2.gz ZTVPSQGUGVPMPX-OAHLLOKOSA-N 2 0 293.455 1.709 10 0 CDAERP CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001448417954 967105666 /nfs/dbraw/zinc/10/56/66/967105666.db2.gz HELRUYHMSCVDTB-QKDCVEJESA-N 2 0 293.455 1.565 10 0 CDAERP C[NH+](C)CCCC(=O)N1C[C@H]([NH2+]CC2CC2)C(C)(C)C1 ZINC001449098018 967359666 /nfs/dbraw/zinc/35/96/66/967359666.db2.gz RKSTVEBMUVZQRA-AWEZNQCLSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H](F)CC[NH2+]C1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001449402203 967453316 /nfs/dbraw/zinc/45/33/16/967453316.db2.gz MPENSJJUJPIZHD-IYXRBSQSSA-N 2 0 297.418 1.409 10 0 CDAERP Cn1cc(CC[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)cn1 ZINC001354230435 968556704 /nfs/dbraw/zinc/55/67/04/968556704.db2.gz YAMPDDSONGKVGH-CHWSQXEVSA-N 2 0 250.390 1.458 10 0 CDAERP CCOC(=O)/C=C/C[N@@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC001459632016 969442957 /nfs/dbraw/zinc/44/29/57/969442957.db2.gz XCKMXQWYFGCCFY-KIUWMYQTSA-N 2 0 298.427 1.538 10 0 CDAERP c1cc(C[NH2+]CCn2ccnc2)n(-c2cc[nH+]cc2)n1 ZINC001460997329 969588199 /nfs/dbraw/zinc/58/81/99/969588199.db2.gz KBTYOFIKMLWEJG-UHFFFAOYSA-N 2 0 268.324 1.254 10 0 CDAERP CC[NH+](CC)CCCNC(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001463582450 969742378 /nfs/dbraw/zinc/74/23/78/969742378.db2.gz GWEJZMMOEMWLKL-ZDUSSCGKSA-N 2 0 273.396 1.268 10 0 CDAERP c1cn(Cc2ccccc2CNC2=[NH+]CCCCN2)cn1 ZINC000849214892 969916140 /nfs/dbraw/zinc/91/61/40/969916140.db2.gz AOAQODRKWAHHFD-UHFFFAOYSA-N 2 0 283.379 1.760 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)C1 ZINC001469705022 970267594 /nfs/dbraw/zinc/26/75/94/970267594.db2.gz OMWVEGUBENMYJS-WCVJEAGWSA-N 2 0 293.455 1.517 10 0 CDAERP CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C[NH+]1CCCC1 ZINC001472330982 970621562 /nfs/dbraw/zinc/62/15/62/970621562.db2.gz MTSGEKMRAHTURN-HOTGVXAUSA-N 2 0 293.455 1.804 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)C[NH+]2CCCC2)C1 ZINC001361877702 970634071 /nfs/dbraw/zinc/63/40/71/970634071.db2.gz UWYLDZGIXIQSOV-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC001361896901 970653813 /nfs/dbraw/zinc/65/38/13/970653813.db2.gz FGTNHSSHEFGKPU-ARFHVFGLSA-N 2 0 293.455 1.804 10 0 CDAERP C[NH+](C)CCC1CC[NH+](CCNC(=O)C2CC2)CC1 ZINC001473121061 970758481 /nfs/dbraw/zinc/75/84/81/970758481.db2.gz XEPSXJFXBYXSBP-UHFFFAOYSA-N 2 0 267.417 1.176 10 0 CDAERP CC[C@H](F)C[NH2+][C@@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001371870378 972665536 /nfs/dbraw/zinc/66/55/36/972665536.db2.gz RKUATFNMNYOVQO-STQMWFEESA-N 2 0 285.407 1.315 10 0 CDAERP O=C(C[NH+]1CCCC1)NCC1([NH2+]C/C=C\Cl)CCCC1 ZINC001495962810 972720762 /nfs/dbraw/zinc/72/07/62/972720762.db2.gz KVHNQPDYNKPWMX-YVMONPNESA-N 2 0 299.846 1.853 10 0 CDAERP C[C@@H]1[C@H](C(=O)NCC[NH+](C)Cc2ccsc2)CC[N@@H+]1C ZINC001371969730 972723153 /nfs/dbraw/zinc/72/31/53/972723153.db2.gz OMOUMHPPQLUTPZ-TZMCWYRMSA-N 2 0 295.452 1.636 10 0 CDAERP C[C@H](c1ccccc1)[N@H+](C)CCNC(=O)CC[NH+](C)C ZINC001372146709 972814550 /nfs/dbraw/zinc/81/45/50/972814550.db2.gz AKVIMUVEXCNNME-CQSZACIVSA-N 2 0 277.412 1.747 10 0 CDAERP CC(C)CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001496532998 972959788 /nfs/dbraw/zinc/95/97/88/972959788.db2.gz DLOXUKFAXMRCAO-CABCVRRESA-N 2 0 283.460 1.857 10 0 CDAERP CC(C)[NH2+][C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001496563152 972973750 /nfs/dbraw/zinc/97/37/50/972973750.db2.gz XVSQUOXAYVTNNC-HUUCEWRRSA-N 2 0 281.444 1.467 10 0 CDAERP CCC[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)CC1CCC1 ZINC001372740684 973104018 /nfs/dbraw/zinc/10/40/18/973104018.db2.gz JYVCWEHCQYMHKP-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP CCC[NH2+][C@@H](C)C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001372992901 973219847 /nfs/dbraw/zinc/21/98/47/973219847.db2.gz HRGFEXWJAVCISP-GJZGRUSLSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC[N@@H+]1C ZINC001417659101 973249337 /nfs/dbraw/zinc/24/93/37/973249337.db2.gz WQEOJQKRAXFPJW-LXTVHRRPSA-N 2 0 281.444 1.706 10 0 CDAERP C[C@H](CC[NH2+]C/C=C\Cl)NC(=O)CC[NH+](C)C ZINC001497265344 973267211 /nfs/dbraw/zinc/26/72/11/973267211.db2.gz UOPLVKWCSRJVFL-MEQVVJDKSA-N 2 0 261.797 1.175 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC1CC1 ZINC001497578377 973417735 /nfs/dbraw/zinc/41/77/35/973417735.db2.gz HTXVVRAVURXZOG-BWPKMQGJSA-N 2 0 279.428 1.531 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC/C=C/C[NH2+]CC[C@@H](C)F)CC[N@@H+]1C ZINC001497586706 973422424 /nfs/dbraw/zinc/42/24/24/973422424.db2.gz XUOXDFTYMQAMTF-IXSFSPNOSA-N 2 0 299.434 1.727 10 0 CDAERP CC(C)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001417899884 973461926 /nfs/dbraw/zinc/46/19/26/973461926.db2.gz QGMPJXUZTKRRDX-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](CCC(C)C)C1)[NH+](C)C ZINC001373691033 973569538 /nfs/dbraw/zinc/56/95/38/973569538.db2.gz ROLBRFDPUCVPDW-CABCVRRESA-N 2 0 283.460 1.905 10 0 CDAERP CC[C@@H](C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)C)OC ZINC001418152322 973611988 /nfs/dbraw/zinc/61/19/88/973611988.db2.gz CFPDWDGKNYCZPX-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP CC[C@H](C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)C)OC ZINC001418152326 973613687 /nfs/dbraw/zinc/61/36/87/973613687.db2.gz CFPDWDGKNYCZPX-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC[C@@H](C)F ZINC001373818918 973655236 /nfs/dbraw/zinc/65/52/36/973655236.db2.gz AWRHFIBPRUQCRC-OLZOCXBDSA-N 2 0 285.407 1.315 10 0 CDAERP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ocnc1C ZINC001373826687 973657788 /nfs/dbraw/zinc/65/77/88/973657788.db2.gz VBJROPUOBLKHLU-CYBMUJFWSA-N 2 0 294.399 1.063 10 0 CDAERP C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccns1 ZINC001418433291 973822485 /nfs/dbraw/zinc/82/24/85/973822485.db2.gz PGDVMCZPKIZBCZ-RYUDHWBXSA-N 2 0 296.440 1.079 10 0 CDAERP C[C@@H](F)CC[NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001498655564 974012493 /nfs/dbraw/zinc/01/24/93/974012493.db2.gz RLDCBRNOIHTTIE-OLZOCXBDSA-N 2 0 273.396 1.124 10 0 CDAERP C[C@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)C[NH+]1CCCC1 ZINC001374845610 974145207 /nfs/dbraw/zinc/14/52/07/974145207.db2.gz CBCSDADQZPUVGD-CYBMUJFWSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@@H](C[NH2+]Cc1cccnc1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001374921158 974178121 /nfs/dbraw/zinc/17/81/21/974178121.db2.gz JHISLVUBYIBYAE-ZFWWWQNUSA-N 2 0 290.411 1.160 10 0 CDAERP CC(C)[C@H](C(=O)NC[C@@H]1CC[N@@H+]1C(C)C)[NH+]1CCCC1 ZINC001499130742 974192845 /nfs/dbraw/zinc/19/28/45/974192845.db2.gz BWEZLPBCCQKMKL-LSDHHAIUSA-N 2 0 281.444 1.706 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001375349869 974349077 /nfs/dbraw/zinc/34/90/77/974349077.db2.gz FBQNHKWSRRYOOZ-GJZGRUSLSA-N 2 0 299.434 1.657 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2C[C@H]([NH2+]CCC3CC3)C2)C1 ZINC001375551193 974420383 /nfs/dbraw/zinc/42/03/83/974420383.db2.gz AWZZWHVXIBGOMJ-BZUAXINKSA-N 2 0 293.455 1.613 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1C[C@H]([NH2+]C/C=C/Cl)C1 ZINC001376405550 974652817 /nfs/dbraw/zinc/65/28/17/974652817.db2.gz IPLVDJCAWQVGEI-XFOLLSPQSA-N 2 0 299.846 1.849 10 0 CDAERP CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+](C)C(C)C)C2 ZINC001502548107 974747239 /nfs/dbraw/zinc/74/72/39/974747239.db2.gz MOMHTRFZJZYFLM-INIZCTEOSA-N 2 0 281.444 1.661 10 0 CDAERP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CC1CC(C)(C)C1 ZINC001376803584 974776547 /nfs/dbraw/zinc/77/65/47/974776547.db2.gz AXGYRHIIGPRZCA-ZDUSSCGKSA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001376827504 974786022 /nfs/dbraw/zinc/78/60/22/974786022.db2.gz RNXPGBQTDANALG-AWEZNQCLSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]([NH+](C)CCCF)C2)C1 ZINC001376984599 974838827 /nfs/dbraw/zinc/83/88/27/974838827.db2.gz XMSJKQQLKQCIQS-GJZGRUSLSA-N 2 0 299.434 1.611 10 0 CDAERP CC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)[C@@H](C)COC ZINC001377333095 974979638 /nfs/dbraw/zinc/97/96/38/974979638.db2.gz DBUZJTVGCKHKFH-AWEZNQCLSA-N 2 0 299.459 1.334 10 0 CDAERP CC[C@H](F)CN1CCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001377399866 975006740 /nfs/dbraw/zinc/00/67/40/975006740.db2.gz PZCAYQCOQKDOBQ-KBPBESRZSA-N 2 0 299.434 1.799 10 0 CDAERP CCCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001377672196 975107204 /nfs/dbraw/zinc/10/72/04/975107204.db2.gz FENGBMMZFNXBJU-CVEARBPZSA-N 2 0 295.471 1.907 10 0 CDAERP O=C(NCC[C@H]1CC[N@@H+](CCF)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001377702346 975116182 /nfs/dbraw/zinc/11/61/82/975116182.db2.gz WUVFUQRJSXAQKL-DZGCQCFKSA-N 2 0 297.418 1.126 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001377843325 975152999 /nfs/dbraw/zinc/15/29/99/975152999.db2.gz AWDZACQAVCUJPX-CHWSQXEVSA-N 2 0 283.460 1.857 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cnoc1C ZINC001377866439 975159909 /nfs/dbraw/zinc/15/99/09/975159909.db2.gz DDZGBAVLTPDZEK-NEPJUHHUSA-N 2 0 296.415 1.308 10 0 CDAERP C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)[C@H](C)[NH2+]CC1CC1 ZINC001377867446 975160838 /nfs/dbraw/zinc/16/08/38/975160838.db2.gz YAOZAOCIKHWGAX-UONOGXRCSA-N 2 0 281.444 1.611 10 0 CDAERP CC[NH2+]CC1(NC(=O)[C@H](CC)[NH+](C)C)CCCCC1 ZINC001506519023 975173422 /nfs/dbraw/zinc/17/34/22/975173422.db2.gz KUVNCOGAZMKTQD-ZDUSSCGKSA-N 2 0 269.433 1.755 10 0 CDAERP C[C@@H](F)CC[NH2+]CCC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001506946687 975270535 /nfs/dbraw/zinc/27/05/35/975270535.db2.gz NRULFYRQBDTBPP-KGLIPLIRSA-N 2 0 299.434 1.705 10 0 CDAERP CCCC[N@H+](C)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001506969874 975278998 /nfs/dbraw/zinc/27/89/98/975278998.db2.gz FXWOXBRIPWNQIJ-UHFFFAOYSA-N 2 0 293.455 1.805 10 0 CDAERP CC(C)[C@@H](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CCF ZINC001506985741 975284466 /nfs/dbraw/zinc/28/44/66/975284466.db2.gz NFOKDMYRVAXIJN-LSDHHAIUSA-N 2 0 299.434 1.418 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CC1CC1 ZINC001397249772 975516166 /nfs/dbraw/zinc/51/61/66/975516166.db2.gz DCRZYCDDAMPXON-OCCSQVGLSA-N 2 0 279.428 1.317 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2C[NH+](CCC3CC3)C2)C1 ZINC001404921379 975542378 /nfs/dbraw/zinc/54/23/78/975542378.db2.gz MFOPZEORESPXER-AWEZNQCLSA-N 2 0 279.428 1.176 10 0 CDAERP C[C@@H](F)CC[N@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001378933496 975549767 /nfs/dbraw/zinc/54/97/67/975549767.db2.gz YHVBVTOTCWSFLL-ZIAGYGMSSA-N 2 0 299.434 1.609 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001388736811 975573858 /nfs/dbraw/zinc/57/38/58/975573858.db2.gz RXLZKWXRYVUVOA-KLHDSHLOSA-N 2 0 295.471 1.859 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH2+]CCF)C(C)C ZINC001379000099 975585986 /nfs/dbraw/zinc/58/59/86/975585986.db2.gz MBPVZBSXBJBPGQ-KBPBESRZSA-N 2 0 287.423 1.561 10 0 CDAERP CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+](C)C(C)C ZINC001388769565 975586606 /nfs/dbraw/zinc/58/66/06/975586606.db2.gz QLRLWQBPQQPPFK-VNQPRFMTSA-N 2 0 295.471 1.952 10 0 CDAERP CC[C@H](C[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CCCC1)OC ZINC001397552298 975624955 /nfs/dbraw/zinc/62/49/55/975624955.db2.gz HQKTUHOREXRNQN-HUUCEWRRSA-N 2 0 297.443 1.040 10 0 CDAERP CC[C@H](C[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CCCC1)OC ZINC001397552312 975625666 /nfs/dbraw/zinc/62/56/66/975625666.db2.gz HQKTUHOREXRNQN-LSDHHAIUSA-N 2 0 297.443 1.040 10 0 CDAERP CCOCC[N@H+]1CC=C(CNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001508226947 975645983 /nfs/dbraw/zinc/64/59/83/975645983.db2.gz GCOVFZJVCSAKNT-OAHLLOKOSA-N 2 0 297.443 1.111 10 0 CDAERP CC(C)CC[N@H+](C)CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001379094954 975658500 /nfs/dbraw/zinc/65/85/00/975658500.db2.gz NFJQKOGNPJJWGP-UHFFFAOYSA-N 2 0 283.460 1.765 10 0 CDAERP CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)[C@H]21 ZINC001397741502 975695489 /nfs/dbraw/zinc/69/54/89/975695489.db2.gz IOLDEUNFDLYODR-KBMXLJTQSA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1c(C)noc1C)[NH+](C)C ZINC001401650562 975765159 /nfs/dbraw/zinc/76/51/59/975765159.db2.gz DFGJPBCLITXXLZ-QMTHXVAHSA-N 2 0 296.415 1.226 10 0 CDAERP CCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001401775941 975898171 /nfs/dbraw/zinc/89/81/71/975898171.db2.gz AVVVXQKVSWUGBT-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP Cc1ncsc1C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001398340937 975949465 /nfs/dbraw/zinc/94/94/65/975949465.db2.gz XXCAJTNXIFUYIX-LBPRGKRZSA-N 2 0 296.440 1.094 10 0 CDAERP CC[C@H](C(=O)NC[C@H]([NH2+]C/C=C\Cl)C1CC1)[NH+](C)C ZINC001398397713 975971024 /nfs/dbraw/zinc/97/10/24/975971024.db2.gz QFULGJXKTICCQI-SDIVBXRLSA-N 2 0 287.835 1.564 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]([NH2+]CC2CC2)C1 ZINC001398484918 976004860 /nfs/dbraw/zinc/00/48/60/976004860.db2.gz FRVRPYXIQCEFKV-KBPBESRZSA-N 2 0 285.407 1.267 10 0 CDAERP C[C@@H](F)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+](C)C ZINC001398483166 976004937 /nfs/dbraw/zinc/00/49/37/976004937.db2.gz VXNJAUAQFGDRSP-KFWWJZLASA-N 2 0 299.434 1.752 10 0 CDAERP CC(C)C[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001401944871 976033915 /nfs/dbraw/zinc/03/39/15/976033915.db2.gz OFKLENVEWNCGRO-AWEZNQCLSA-N 2 0 279.428 1.223 10 0 CDAERP C[C@H](C[N@H+](C)CCC1CC1)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001379733663 976039092 /nfs/dbraw/zinc/03/90/92/976039092.db2.gz OXCWZLSTSNWGNT-HIFRSBDPSA-N 2 0 281.444 1.707 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H]2C[N@H+](CCCF)CC[C@@H]21 ZINC001398596859 976065842 /nfs/dbraw/zinc/06/58/42/976065842.db2.gz UEUQPYGSEYBNDW-CABCVRRESA-N 2 0 299.434 1.611 10 0 CDAERP CCCN(C(=O)CC[NH+](C)C)C1CC[NH+](CCCO)CC1 ZINC001402228805 976189118 /nfs/dbraw/zinc/18/91/18/976189118.db2.gz HNJFMFDLQGAHRN-UHFFFAOYSA-N 2 0 299.459 1.024 10 0 CDAERP C[C@@H](C[NH2+]CC1CCCC1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001406487221 976220956 /nfs/dbraw/zinc/22/09/56/976220956.db2.gz QEELIRXSMYGXBF-DZGCQCFKSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]CC[C@H](C)F ZINC001398957458 976268560 /nfs/dbraw/zinc/26/85/60/976268560.db2.gz UPGDLTGYJZKERC-NWDGAFQWSA-N 2 0 273.396 1.313 10 0 CDAERP Cc1oncc1C[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001390403359 976279405 /nfs/dbraw/zinc/27/94/05/976279405.db2.gz XBJGIGLLGADFOZ-BXUZGUMPSA-N 2 0 294.399 1.062 10 0 CDAERP CO[C@H](C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C ZINC001402487518 976309694 /nfs/dbraw/zinc/30/96/94/976309694.db2.gz PPEXJQBQWXNTRP-KFWWJZLASA-N 2 0 297.443 1.038 10 0 CDAERP C[C@H]1C[C@H]([NH2+]CCC2CC2)CCN1C(=O)CC[NH+](C)C ZINC001380264823 976320791 /nfs/dbraw/zinc/32/07/91/976320791.db2.gz GNJRMUXJUSWKCM-DZGCQCFKSA-N 2 0 281.444 1.707 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cnc(C)o2)C1 ZINC001399218605 976384694 /nfs/dbraw/zinc/38/46/94/976384694.db2.gz QEVQPSBPRUJVDJ-ZDUSSCGKSA-N 2 0 294.399 1.015 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001402609480 976392902 /nfs/dbraw/zinc/39/29/02/976392902.db2.gz MTAAHNNJGYGGLC-FPMFFAJLSA-N 2 0 285.407 1.313 10 0 CDAERP CCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC001390625633 976397563 /nfs/dbraw/zinc/39/75/63/976397563.db2.gz SPIZMHCHPGUHBR-HUUCEWRRSA-N 2 0 297.443 1.040 10 0 CDAERP CC[C@@H](F)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001402759892 976469411 /nfs/dbraw/zinc/46/94/11/976469411.db2.gz FYKWZYNUOQNCLB-MGPQQGTHSA-N 2 0 285.407 1.409 10 0 CDAERP C[C@H](F)CC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001406990570 976506239 /nfs/dbraw/zinc/50/62/39/976506239.db2.gz UIWLLXSOJKPRPT-STQMWFEESA-N 2 0 285.407 1.315 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]C[C@@H]2CC[C@H](C)O2)CC1 ZINC001407004083 976509434 /nfs/dbraw/zinc/50/94/34/976509434.db2.gz JAQYOJUXVUAVIN-KBPBESRZSA-N 2 0 297.443 1.133 10 0 CDAERP C[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)Cc1ccsc1 ZINC001390842599 976555050 /nfs/dbraw/zinc/55/50/50/976555050.db2.gz AEJRXSJUGJQOOF-UHFFFAOYSA-N 2 0 293.436 1.392 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cncs1 ZINC001403011105 976658978 /nfs/dbraw/zinc/65/89/78/976658978.db2.gz GFMHPMWHIXZWMO-RYUDHWBXSA-N 2 0 298.456 1.468 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cncs1 ZINC001403011113 976659397 /nfs/dbraw/zinc/65/93/97/976659397.db2.gz GFMHPMWHIXZWMO-VXGBXAGGSA-N 2 0 298.456 1.468 10 0 CDAERP C[C@@H]([NH2+]CC1CC1)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001403016590 976663409 /nfs/dbraw/zinc/66/34/09/976663409.db2.gz KXBICDYNLDNSBV-OLZOCXBDSA-N 2 0 281.444 1.754 10 0 CDAERP CC[N@H+](CCNC(=O)CC[NH+](C)C)CCC(F)(F)F ZINC001399762402 976672437 /nfs/dbraw/zinc/67/24/37/976672437.db2.gz VVNTUOWHDDADHX-UHFFFAOYSA-N 2 0 283.338 1.329 10 0 CDAERP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]CC[C@H](C)F ZINC001403069638 976693392 /nfs/dbraw/zinc/69/33/92/976693392.db2.gz PHLZHXLRQHXRPJ-QWHCGFSZSA-N 2 0 287.423 1.561 10 0 CDAERP O=C(NCC[N@@H+](CCCF)C1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001391159106 976737381 /nfs/dbraw/zinc/73/73/81/976737381.db2.gz FODQTYUZLNFBLB-OAHLLOKOSA-N 2 0 297.418 1.268 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001381289840 976742672 /nfs/dbraw/zinc/74/26/72/976742672.db2.gz JITWXEHJCPAMKB-CQSZACIVSA-N 2 0 279.428 1.415 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001381289833 976743768 /nfs/dbraw/zinc/74/37/68/976743768.db2.gz JITWXEHJCPAMKB-AWEZNQCLSA-N 2 0 279.428 1.415 10 0 CDAERP Cc1ncsc1C[NH2+][C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001403128122 976746617 /nfs/dbraw/zinc/74/66/17/976746617.db2.gz BKUDJKBCTPQCHV-LLVKDONJSA-N 2 0 296.440 1.142 10 0 CDAERP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C1CC1 ZINC001391184771 976748037 /nfs/dbraw/zinc/74/80/37/976748037.db2.gz XHAYYJURQWICKC-KBPBESRZSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CC1CC(C)(C)C1 ZINC001403161699 976771180 /nfs/dbraw/zinc/77/11/80/976771180.db2.gz CTZZTBUFSLLOGU-CYBMUJFWSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@@H](NC(=O)C12CCC[NH+]1CCC2)[C@H](C)[NH2+]C/C=C\Cl ZINC001381391006 976799904 /nfs/dbraw/zinc/79/99/04/976799904.db2.gz CPEMMLXLAWSESL-SDIVBXRLSA-N 2 0 299.846 1.850 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC[C@@H]1CC[NH+](CCF)C1 ZINC001391331391 976816288 /nfs/dbraw/zinc/81/62/88/976816288.db2.gz FJLWTHXLNJRLGS-CYBMUJFWSA-N 2 0 273.396 1.124 10 0 CDAERP CN(CCC[N@H+](C)CCF)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001407906461 976827307 /nfs/dbraw/zinc/82/73/07/976827307.db2.gz RLGGQRMEBZWTKB-CQSZACIVSA-N 2 0 285.407 1.078 10 0 CDAERP CN(CC(C)(C)C[NH2+]CC1CCC1)C(=O)CC[NH+](C)C ZINC001381478121 976844186 /nfs/dbraw/zinc/84/41/86/976844186.db2.gz HULGDDPRUONLAW-UHFFFAOYSA-N 2 0 283.460 1.812 10 0 CDAERP C[C@H](F)CC[NH+]1CC(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001391506946 976925412 /nfs/dbraw/zinc/92/54/12/976925412.db2.gz ROWNLANNWIONNE-STQMWFEESA-N 2 0 285.407 1.124 10 0 CDAERP CC[C@@H](C(=O)NCC1C[NH+](CCCC(C)C)C1)[NH+](C)C ZINC001391506961 976925889 /nfs/dbraw/zinc/92/58/89/976925889.db2.gz RTCNXMHBCCZLIL-HNNXBMFYSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@H]1C ZINC001408171575 976948878 /nfs/dbraw/zinc/94/88/78/976948878.db2.gz IJZJYCVWHWEQEO-HUUCEWRRSA-N 2 0 283.460 1.952 10 0 CDAERP CC(C)CC[NH+]1CC([C@@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001381806794 977033835 /nfs/dbraw/zinc/03/38/35/977033835.db2.gz RDAKEZBMCNRNHE-CQSZACIVSA-N 2 0 283.460 1.811 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)CCC(C)(C)C ZINC001403562029 977066600 /nfs/dbraw/zinc/06/66/00/977066600.db2.gz HQRNSSPPDBWRIR-HNNXBMFYSA-N 2 0 295.471 1.812 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001403567797 977068686 /nfs/dbraw/zinc/06/86/86/977068686.db2.gz IAMLJHKEOQTSQV-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCF)C[C@H]21)[NH+](CC)CC ZINC001381907600 977076383 /nfs/dbraw/zinc/07/63/83/977076383.db2.gz XEOZXVOBGONRNO-XQLPTFJDSA-N 2 0 299.434 1.370 10 0 CDAERP CC[C@@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)C(C)C)OC ZINC001400587677 977101223 /nfs/dbraw/zinc/10/12/23/977101223.db2.gz GAOMTYZBDUPZBQ-KKUMJFAQSA-N 2 0 297.443 1.037 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001400740569 977152189 /nfs/dbraw/zinc/15/21/89/977152189.db2.gz OVIRCIIQDRCLKB-OAHLLOKOSA-N 2 0 283.460 1.905 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CCF)CCCC2)CC[N@@H+]1C ZINC001392008359 977180395 /nfs/dbraw/zinc/18/03/95/977180395.db2.gz RUXIXSBQDQMLEE-UONOGXRCSA-N 2 0 299.434 1.705 10 0 CDAERP CC[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)CC[C@H](C)F ZINC001403927570 977266226 /nfs/dbraw/zinc/26/62/26/977266226.db2.gz VXIGCURAQIYWIF-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CCF ZINC001392218345 977266917 /nfs/dbraw/zinc/26/69/17/977266917.db2.gz HXVVDBNAEXIPMB-KBPBESRZSA-N 2 0 285.407 1.028 10 0 CDAERP C[C@@H]1CC[C@@H](C[N@H+](C)CCN(C)C(=O)C[NH+]2CCCC2)O1 ZINC001392327977 977409812 /nfs/dbraw/zinc/40/98/12/977409812.db2.gz YGAVTHIBRPEMAY-CABCVRRESA-N 2 0 297.443 1.040 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001392880392 977637238 /nfs/dbraw/zinc/63/72/38/977637238.db2.gz SHZSERCFYFUXLD-GJZGRUSLSA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)CC[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001392929669 977655405 /nfs/dbraw/zinc/65/54/05/977655405.db2.gz LSYUJZFMCYMVSJ-UHFFFAOYSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@H](C(=O)N[C@@]1(C)CC[N@H+](CCC(C)C)C1)[NH+](C)C ZINC001393101652 977699677 /nfs/dbraw/zinc/69/96/77/977699677.db2.gz HQERXVZECSBMKC-ZBFHGGJFSA-N 2 0 283.460 1.953 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CCCF ZINC001394139672 978087809 /nfs/dbraw/zinc/08/78/09/978087809.db2.gz PQDOHZXWOOZAFK-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]C[C@H]1CCOC1)C(C)(C)C ZINC001394837231 978279724 /nfs/dbraw/zinc/27/97/24/978279724.db2.gz YZMWWLWWBWIZKT-ZIAGYGMSSA-N 2 0 299.459 1.095 10 0 CDAERP CCC[NH2+][C@@H](C)[C@H]1CN(C(=O)CCCC[NH+](C)C)CCO1 ZINC001675621568 1174133481 /nfs/dbraw/zinc/13/34/81/1174133481.db2.gz PEGUZGJNPYZHEY-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@H](O)C[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)CC1 ZINC001570185820 1170105650 /nfs/dbraw/zinc/10/56/50/1170105650.db2.gz SLQJFXBNIKULOB-GJZGRUSLSA-N 2 0 299.459 1.070 10 0 CDAERP CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001571402296 1170415070 /nfs/dbraw/zinc/41/50/70/1170415070.db2.gz UEKXRBHIFPFBHO-AVGNSLFASA-N 2 0 255.406 1.173 10 0 CDAERP CC[NH+](C)CCC(=O)N(CC[N@@H+](C)CC)C(C)C ZINC001571615823 1170496449 /nfs/dbraw/zinc/49/64/49/1170496449.db2.gz GCHHDUMWKMDQLQ-UHFFFAOYSA-N 2 0 257.422 1.517 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[NH+](C)CC1(C)C ZINC001652491786 1171445023 /nfs/dbraw/zinc/44/50/23/1171445023.db2.gz QMAJFMKCNUWHGG-STQMWFEESA-N 2 0 267.417 1.317 10 0 CDAERP CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001656453973 1171826716 /nfs/dbraw/zinc/82/67/16/1171826716.db2.gz PQNMXTRRENHKGL-HUUCEWRRSA-N 2 0 293.455 1.709 10 0 CDAERP CC[C@@H]1CN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C[C@H](C)[NH2+]1 ZINC000620903600 342464341 /nfs/dbraw/zinc/46/43/41/342464341.db2.gz XBCBUTDRIWANGV-XDQVBPFNSA-N 2 0 267.417 1.458 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H]1CCC[NH+](C)C1 ZINC000589213258 342500734 /nfs/dbraw/zinc/50/07/34/342500734.db2.gz QNZUMYMDCPVUCR-STQMWFEESA-N 2 0 270.421 1.110 10 0 CDAERP C[C@H]1C[NH2+]C[C@H](NCc2ccc(C[NH3+])cc2F)C1 ZINC000650717244 398158760 /nfs/dbraw/zinc/15/87/60/398158760.db2.gz VOCQSEMRWPABTB-ZWNOBZJWSA-N 2 0 251.349 1.372 10 0 CDAERP COCc1nc(CC[NH+](C)C)sc1C[NH2+]C(C)C ZINC000082446878 178025238 /nfs/dbraw/zinc/02/52/38/178025238.db2.gz QIYMDLILVFLUKL-UHFFFAOYSA-N 2 0 271.430 1.892 10 0 CDAERP C[NH2+]Cc1ccccc1C[NH2+][C@H](COC)C1CCOCC1 ZINC000650757191 398181040 /nfs/dbraw/zinc/18/10/40/398181040.db2.gz QVTSRVCVXGKHAH-QGZVFWFLSA-N 2 0 292.423 1.937 10 0 CDAERP CCOC(=O)c1ncc(CN2C[C@@H](C[NH3+])[C@H](C)C2)s1 ZINC000601326086 342553632 /nfs/dbraw/zinc/55/36/32/342553632.db2.gz JJFYABBNMCQAHV-NXEZZACHSA-N 2 0 283.397 1.346 10 0 CDAERP CCOC(=O)CCCCC[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601325835 342554042 /nfs/dbraw/zinc/55/40/42/342554042.db2.gz GCARXSUUSZKVEM-CHWSQXEVSA-N 2 0 256.390 1.637 10 0 CDAERP COc1cncc(C[N@H+](C)CCCn2ccnc2C)n1 ZINC000625261942 342060030 /nfs/dbraw/zinc/06/00/30/342060030.db2.gz BDWKHEZRYXGRDF-UHFFFAOYSA-N 2 0 275.356 1.512 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCOC[C@H]2CCCO2)[C@H](C)C1 ZINC000533395182 282117801 /nfs/dbraw/zinc/11/78/01/282117801.db2.gz XBKILQBYBOZVLY-OAGGEKHMSA-N 2 0 284.444 1.844 10 0 CDAERP C[C@@H](CNC(=O)[C@]1(C)CCCC[NH2+]1)[NH+]1CCCC1 ZINC000133607172 342069058 /nfs/dbraw/zinc/06/90/58/342069058.db2.gz WCISRMQCRYSBKI-JSGCOSHPSA-N 2 0 253.390 1.119 10 0 CDAERP C[NH+](C)CCCCC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000617013140 342604837 /nfs/dbraw/zinc/60/48/37/342604837.db2.gz NSRHZYQPHUTSSN-ZDUSSCGKSA-N 2 0 269.433 1.707 10 0 CDAERP CN(CC1C[NH+](C)C1)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000618193050 342139595 /nfs/dbraw/zinc/13/95/95/342139595.db2.gz HLLOMAAVWOWQRW-OAHLLOKOSA-N 2 0 293.455 1.661 10 0 CDAERP CCOC(=O)CC[N@H+](CC1CC1)C[C@@]1(C)CC[NH2+]C1 ZINC000592431362 342691780 /nfs/dbraw/zinc/69/17/80/342691780.db2.gz XJPMIQKABUMOQI-HNNXBMFYSA-N 2 0 268.401 1.651 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CC[NH+](C(C)(C)C)C1 ZINC000624338434 342156858 /nfs/dbraw/zinc/15/68/58/342156858.db2.gz XBZOEMOPEGNYRY-OLZOCXBDSA-N 2 0 282.432 1.253 10 0 CDAERP [NH3+]C1(CNCc2ccc(N3CCCC3)nc2)CCOCC1 ZINC000629388719 361892992 /nfs/dbraw/zinc/89/29/92/361892992.db2.gz SIIRSPZETHBFQG-UHFFFAOYSA-N 2 0 290.411 1.279 10 0 CDAERP CCN(C)C[C@@H](O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000625778076 342198383 /nfs/dbraw/zinc/19/83/83/342198383.db2.gz MILKEBVIEAFOHN-UPJWGTAASA-N 2 0 258.431 1.269 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](C)Oc1ccccc1 ZINC000422976322 536595169 /nfs/dbraw/zinc/59/51/69/536595169.db2.gz CSFCWJJAEJMUTH-ZIAGYGMSSA-N 2 0 266.385 1.797 10 0 CDAERP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]CCOCCC[NH3+])C1 ZINC000629399515 361935503 /nfs/dbraw/zinc/93/55/03/361935503.db2.gz SOONDOQGMSNLKV-NVXWUHKLSA-N 2 0 291.439 1.777 10 0 CDAERP [NH3+]CCCOCC[NH2+]C/C=C\c1ccc(F)cc1F ZINC000629399511 361936109 /nfs/dbraw/zinc/93/61/09/361936109.db2.gz IEARYTZRYAINEY-IWQZZHSRSA-N 2 0 270.323 1.933 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC1CC[NH+](Cc2ccncc2)CC1 ZINC000629407316 361952523 /nfs/dbraw/zinc/95/25/23/361952523.db2.gz XPSJGOVNOFOZCU-XJKSGUPXSA-N 2 0 274.412 1.386 10 0 CDAERP CC[NH2+]CC1CC[NH+](Cc2cnc(C(=O)OC)cn2)CC1 ZINC000600699504 342242709 /nfs/dbraw/zinc/24/27/09/342242709.db2.gz AWOCKVXNZDTJFU-UHFFFAOYSA-N 2 0 292.383 1.085 10 0 CDAERP COC(=O)CCC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000600752276 342248246 /nfs/dbraw/zinc/24/82/46/342248246.db2.gz DCYHDYKKWQIMAT-CQSZACIVSA-N 2 0 284.400 1.030 10 0 CDAERP COC(=O)C1CCC([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000594509701 342914948 /nfs/dbraw/zinc/91/49/48/342914948.db2.gz KZZJJIPKBFWRSX-AJNFDDFZSA-N 2 0 268.401 1.648 10 0 CDAERP CC(C)[C@H]1CC[C@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000353454426 539097849 /nfs/dbraw/zinc/09/78/49/539097849.db2.gz KAKBNDVHAMTFDG-HUUCEWRRSA-N 2 0 253.434 1.648 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000626014685 342289536 /nfs/dbraw/zinc/28/95/36/342289536.db2.gz POIGVERJISHUSV-RRFJBIMHSA-N 2 0 252.402 1.565 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000594946437 342981131 /nfs/dbraw/zinc/98/11/31/342981131.db2.gz PQHLOAUHYPSDSR-IGQOVBAYSA-N 2 0 268.401 1.506 10 0 CDAERP C[C@@H](CSCCF)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000595014515 343001272 /nfs/dbraw/zinc/00/12/72/343001272.db2.gz WJDZLHCOPJZELD-AWEZNQCLSA-N 2 0 291.480 1.695 10 0 CDAERP [NH3+]C1(CC(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)CCC1 ZINC000645103699 362117431 /nfs/dbraw/zinc/11/74/31/362117431.db2.gz AABAGXUTZXXPII-CHWSQXEVSA-N 2 0 265.401 1.249 10 0 CDAERP [NH3+]C1(CC(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)CCC1 ZINC000645103701 362117800 /nfs/dbraw/zinc/11/78/00/362117800.db2.gz AABAGXUTZXXPII-QWHCGFSZSA-N 2 0 265.401 1.249 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC23CCC3)CC1 ZINC000081545138 342369963 /nfs/dbraw/zinc/36/99/63/342369963.db2.gz LHQKKILLLDUCHH-UHFFFAOYSA-N 2 0 279.428 1.604 10 0 CDAERP C[N@@H+]1C[C@H](CO)C2(C1)CC[NH+](C1CCCC1)CC2 ZINC000169791320 362140056 /nfs/dbraw/zinc/14/00/56/362140056.db2.gz RRRSNCDMFPTWGI-CYBMUJFWSA-N 2 0 252.402 1.565 10 0 CDAERP CC[NH+](CC)C[C@H](C)Nc1nc(N)[nH+]c2c1CCCC2 ZINC000645139783 362155080 /nfs/dbraw/zinc/15/50/80/362155080.db2.gz SJDTZZXZPVDSGM-NSHDSACASA-N 2 0 277.416 1.332 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H]1CCCOc2ccccc21 ZINC000629529636 362158968 /nfs/dbraw/zinc/15/89/68/362158968.db2.gz JAWFOPUSZXHUMM-CQSZACIVSA-N 2 0 264.369 1.726 10 0 CDAERP C[C@@H]1C[C@H](Nc2nc(N)[nH+]c3c2CCCC3)C[N@@H+]1C1CC1 ZINC000645187149 362234846 /nfs/dbraw/zinc/23/48/46/362234846.db2.gz FVEZXQQPLGJITL-MNOVXSKESA-N 2 0 287.411 1.227 10 0 CDAERP C[C@H](O)C1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000401058391 482530270 /nfs/dbraw/zinc/53/02/70/482530270.db2.gz NQUJGPRRSWYJJM-ZDUSSCGKSA-N 2 0 254.418 1.859 10 0 CDAERP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000606370132 344997882 /nfs/dbraw/zinc/99/78/82/344997882.db2.gz FYPBANJDNLQKKS-ZIAGYGMSSA-N 2 0 265.401 1.166 10 0 CDAERP CN(C(=O)c1conc1C(C)(C)[NH3+])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000572973795 362609873 /nfs/dbraw/zinc/60/98/73/362609873.db2.gz BNMFPQLZOWQSMU-LLVKDONJSA-N 2 0 292.383 1.177 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCC[NH+](C)C2)CC[N@@H+]1C ZINC000608648139 345805288 /nfs/dbraw/zinc/80/52/88/345805288.db2.gz NPROGMDZKPWTER-MGPQQGTHSA-N 2 0 282.432 1.205 10 0 CDAERP CC(C)C[N@@H+]1CCO[C@@H](CN[C@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623340487 346068830 /nfs/dbraw/zinc/06/88/30/346068830.db2.gz KHQPGKTYTUPPHF-HOTGVXAUSA-N 2 0 297.487 1.806 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCNC(=O)c2ccco2)CC1(C)C ZINC000623345893 346073574 /nfs/dbraw/zinc/07/35/74/346073574.db2.gz ZJPSZPLFIDZBOG-LBPRGKRZSA-N 2 0 279.384 1.472 10 0 CDAERP CC(C)COC[C@@H](O)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623373905 346108933 /nfs/dbraw/zinc/10/89/33/346108933.db2.gz PPJUGBDJEHLCRG-KBPBESRZSA-N 2 0 272.433 1.482 10 0 CDAERP CC(C)COC[C@@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088164518 260280478 /nfs/dbraw/zinc/28/04/78/260280478.db2.gz VMSREBMIWKBFLB-UYTSQGDYSA-N 2 0 284.444 1.625 10 0 CDAERP C[C@H](C[C@@](C)(O)C[NH3+])N1CC[NH+](C2CCCC2)CC1 ZINC000085302339 179010732 /nfs/dbraw/zinc/01/07/32/179010732.db2.gz LQFNEHOJCMLHBU-UKRRQHHQSA-N 2 0 269.433 1.035 10 0 CDAERP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085356325 179030483 /nfs/dbraw/zinc/03/04/83/179030483.db2.gz RBUYKWHILZBFGT-RDBSUJKOSA-N 2 0 269.433 1.741 10 0 CDAERP CC[NH+](CC)C1CCN(C(=O)[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000085369537 179038993 /nfs/dbraw/zinc/03/89/93/179038993.db2.gz UCTAVXVRWYXOCJ-KBPBESRZSA-N 2 0 267.417 1.447 10 0 CDAERP Cc1cc(Br)ccc1C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000263299910 362727157 /nfs/dbraw/zinc/72/71/57/362727157.db2.gz WXTRUARKFGMNOX-WCQYABFASA-N 2 0 299.212 1.427 10 0 CDAERP C[C@@H](CC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)CC(C)(C)C ZINC000584775211 346429673 /nfs/dbraw/zinc/42/96/73/346429673.db2.gz BLXMXBAYRLJENC-HOTGVXAUSA-N 2 0 299.503 1.647 10 0 CDAERP CC[NH+](CC)CCn1c2c(nc1C(C)C)C[NH2+]CC2 ZINC000085569399 179096334 /nfs/dbraw/zinc/09/63/34/179096334.db2.gz GPDPFTNXVOYNTP-UHFFFAOYSA-N 2 0 264.417 1.994 10 0 CDAERP C[NH+]1CCC(n2c3c(nc2C(F)(F)F)C[NH2+]CC3)CC1 ZINC000085569835 179096634 /nfs/dbraw/zinc/09/66/34/179096634.db2.gz WDUMGHDDJHXXLI-UHFFFAOYSA-N 2 0 288.317 1.814 10 0 CDAERP C[C@H]1CC[NH2+][C@H](C(C)(C)C)C[N@@H+]1CCn1cccn1 ZINC000085624403 179106761 /nfs/dbraw/zinc/10/67/61/179106761.db2.gz NQJPAKUCDIDDCD-KBPBESRZSA-N 2 0 264.417 1.982 10 0 CDAERP C[C@H]1CC[NH2+][C@H](C2CC2)C[N@@H+]1CCCn1ccnc1 ZINC000085626127 179107150 /nfs/dbraw/zinc/10/71/50/179107150.db2.gz CXVBZSQRRKZJEN-ZFWWWQNUSA-N 2 0 262.401 1.736 10 0 CDAERP c1nc(CC[NH2+]CC[C@H]2CSCC[NH2+]2)cs1 ZINC000085616428 179104095 /nfs/dbraw/zinc/10/40/95/179104095.db2.gz TWVRUZHBLROCFX-JTQLQIEISA-N 2 0 257.428 1.370 10 0 CDAERP CCCCOC[C@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000227893690 346533836 /nfs/dbraw/zinc/53/38/36/346533836.db2.gz NEIQWFORIJOODM-WTXIUTQJSA-N 2 0 284.444 1.769 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCNc2ccccn2)CC1(C)C ZINC000623429142 346592440 /nfs/dbraw/zinc/59/24/40/346592440.db2.gz OSFKKDNIZDBEDD-ZDUSSCGKSA-N 2 0 262.401 1.956 10 0 CDAERP COCCOC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623431412 346633028 /nfs/dbraw/zinc/63/30/28/346633028.db2.gz DDGSVWCQXPDKQK-QWHCGFSZSA-N 2 0 258.406 1.500 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@]2(C)CC[NH2+]C2)cc1 ZINC000612914504 347328908 /nfs/dbraw/zinc/32/89/08/347328908.db2.gz FUTWIMIGRNWJTO-NHYWBVRUSA-N 2 0 276.384 1.258 10 0 CDAERP CC[C@H]1C[NH2+][C@@](C)(C2CC2)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086182495 179247490 /nfs/dbraw/zinc/24/74/90/179247490.db2.gz UQTHQGQYBPATCJ-GVDBMIGSSA-N 2 0 277.456 1.933 10 0 CDAERP CC[C@H]1C[NH2+][C@@H](C)CN1C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000086174180 179245811 /nfs/dbraw/zinc/24/58/11/179245811.db2.gz VPEOXEMICXYOCH-ZNMIVQPWSA-N 2 0 253.434 1.789 10 0 CDAERP C[C@@H](CC[NH+](C)C)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000086177481 179246776 /nfs/dbraw/zinc/24/67/76/179246776.db2.gz KNLFZSIECAMFTP-GOEBONIOSA-N 2 0 261.413 1.973 10 0 CDAERP C[NH+](C)CCCCN1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC000086146708 179239094 /nfs/dbraw/zinc/23/90/94/179239094.db2.gz MXDOMSDXKOMOBY-KRWDZBQOSA-N 2 0 275.440 1.845 10 0 CDAERP C[C@@H](CC[NH+](C)C)N1C[C@](C)(C2CC2)[NH2+]C[C@@H]1C ZINC000086255743 179256604 /nfs/dbraw/zinc/25/66/04/179256604.db2.gz YOJMXMFZXNUIAJ-KCQAQPDRSA-N 2 0 253.434 1.789 10 0 CDAERP C[C@@H]1CCC[C@]1(O)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623534080 347620169 /nfs/dbraw/zinc/62/01/69/347620169.db2.gz WPYXCUNABKFOKX-IPYPFGDCSA-N 2 0 254.418 2.000 10 0 CDAERP C[C@@H](N[C@H]1CC[N@H+](C)C(C)(C)C1)c1nccn1C ZINC000623574065 347640084 /nfs/dbraw/zinc/64/00/84/347640084.db2.gz CWRUPMVWUWZKAE-NEPJUHHUSA-N 2 0 250.390 1.944 10 0 CDAERP C[NH+](C)CCN(CC1CCCCC1)C(=O)NC/C=C\C[NH3+] ZINC000641861754 365943931 /nfs/dbraw/zinc/94/39/31/365943931.db2.gz DRNPOISSQXMTTC-SREVYHEPSA-N 2 0 296.459 1.655 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)CC[C@H]2CCC[NH2+]C2)C1 ZINC000250192429 365956421 /nfs/dbraw/zinc/95/64/21/365956421.db2.gz ALJJPRCANXSHKL-ZIAGYGMSSA-N 2 0 267.417 1.367 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000614963335 348286613 /nfs/dbraw/zinc/28/66/13/348286613.db2.gz FNJAHJPWPPJEGT-GASCZTMLSA-N 2 0 293.455 1.804 10 0 CDAERP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)CCN(C)c1cc[nH+]cc1 ZINC000615306658 348432811 /nfs/dbraw/zinc/43/28/11/348432811.db2.gz AFUXJFCWNWPNQT-UKRRQHHQSA-N 2 0 290.411 1.459 10 0 CDAERP CC[NH+](CC)C[C@@H]1CO[C@@H](C[NH+](CC)CC)CO1 ZINC000048552886 348747923 /nfs/dbraw/zinc/74/79/23/348747923.db2.gz IWLXNTQVZJAVKA-OKILXGFUSA-N 2 0 258.406 1.454 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(C(=O)N[C@H]2CCC[N@H+](C)C2)C1 ZINC000073812128 350047721 /nfs/dbraw/zinc/04/77/21/350047721.db2.gz ZHVROZAOBHKECX-KBPBESRZSA-N 2 0 282.432 1.206 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CC[NH2+][C@H]2C)[C@@H](C)C1 ZINC000629548881 362976626 /nfs/dbraw/zinc/97/66/26/362976626.db2.gz RPSVWKHWFSZKLI-YHUYYLMFSA-N 2 0 283.460 1.463 10 0 CDAERP CCn1nccc1CC[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000621775266 350772217 /nfs/dbraw/zinc/77/22/17/350772217.db2.gz KBSYQRVUKOFPDG-ZDUSSCGKSA-N 2 0 250.390 1.649 10 0 CDAERP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000629554296 362982559 /nfs/dbraw/zinc/98/25/59/362982559.db2.gz HKPLWDYMGIXPDL-XLWJZTARSA-N 2 0 252.402 1.922 10 0 CDAERP O=C1[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCN1C1CCC1 ZINC000629556764 362986622 /nfs/dbraw/zinc/98/66/22/362986622.db2.gz YKNGQEJVSIGWAW-RGCMKSIDSA-N 2 0 277.412 1.118 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)[C@H](C)C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000629565264 363016129 /nfs/dbraw/zinc/01/61/29/363016129.db2.gz DWDXRHKLKMULHV-SOUVJXGZSA-N 2 0 299.459 1.047 10 0 CDAERP COc1ccc([C@H]2CC[N@H+](CCOCC[NH3+])C2)cc1F ZINC000629588215 363061728 /nfs/dbraw/zinc/06/17/28/363061728.db2.gz CWVJNYVKCIBBJP-ZDUSSCGKSA-N 2 0 282.359 1.599 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000624323740 351546797 /nfs/dbraw/zinc/54/67/97/351546797.db2.gz ANIPXLWAOQDJMM-CHWSQXEVSA-N 2 0 282.432 1.253 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H]3COCC[C@@H]32)CC[NH2+]1 ZINC000414743566 366055338 /nfs/dbraw/zinc/05/53/38/366055338.db2.gz HIJMVROODURQMR-KBXIAJHMSA-N 2 0 252.402 1.875 10 0 CDAERP Cc1cc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)on1 ZINC000631114442 363093909 /nfs/dbraw/zinc/09/39/09/363093909.db2.gz VOAXEZQSEFJFPA-LBPRGKRZSA-N 2 0 266.389 1.099 10 0 CDAERP CCC([NH3+])(CC)C[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000414811669 535194243 /nfs/dbraw/zinc/19/42/43/535194243.db2.gz QEKWCTLVLONHBN-UHFFFAOYSA-N 2 0 289.379 1.390 10 0 CDAERP CC(C)C[C@@H]([NH3+])CN1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000414748561 366101182 /nfs/dbraw/zinc/10/11/82/366101182.db2.gz WSUKWTMSNILPIG-LSDHHAIUSA-N 2 0 283.460 1.545 10 0 CDAERP C[C@H](CCO)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000453231076 363289757 /nfs/dbraw/zinc/28/97/57/363289757.db2.gz IJHKFOXZPMQTOW-BYNSBNAKSA-N 2 0 254.418 1.857 10 0 CDAERP CO[C@H]1CCC[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000643543938 355996310 /nfs/dbraw/zinc/99/63/10/355996310.db2.gz IXGZDNZYCWVGAH-MYBQVCMBSA-N 2 0 295.471 1.750 10 0 CDAERP Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H]1CCCC[NH2+]C1 ZINC000643545405 356001882 /nfs/dbraw/zinc/00/18/82/356001882.db2.gz LVUCNTOTAKSQHR-TZMCWYRMSA-N 2 0 262.401 1.641 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)C12CC(C1)C2 ZINC000628050451 356441427 /nfs/dbraw/zinc/44/14/27/356441427.db2.gz DQOHVFZZLUNITC-OPFPJEHXSA-N 2 0 267.417 1.175 10 0 CDAERP CC(C)CC[C@@H]([NH3+])CNc1ccnn1C1C[NH2+]C1 ZINC000725260236 538454089 /nfs/dbraw/zinc/45/40/89/538454089.db2.gz PTVKHKZYIYFBOI-LLVKDONJSA-N 2 0 251.378 1.203 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2cccnc2)CC1 ZINC000022926506 356623828 /nfs/dbraw/zinc/62/38/28/356623828.db2.gz HCDQDLCIQSKJEO-KRWDZBQOSA-N 2 0 288.439 1.684 10 0 CDAERP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](COC)OC)C1 ZINC000659975836 412650832 /nfs/dbraw/zinc/65/08/32/412650832.db2.gz PJJQJJXQAAVYBG-KBPBESRZSA-N 2 0 258.406 1.312 10 0 CDAERP C[C@@H]1CCC[C@@H](C[N@H+](C)CC(=O)N2CC[NH2+]CC2)C1 ZINC000089611168 357502540 /nfs/dbraw/zinc/50/25/40/357502540.db2.gz KKZCMJDMKNTMOU-ZIAGYGMSSA-N 2 0 267.417 1.176 10 0 CDAERP C[C@H]1CCC[C@H](C[N@H+](C)CC(=O)N2CC[NH2+]CC2)C1 ZINC000089611167 357502672 /nfs/dbraw/zinc/50/26/72/357502672.db2.gz KKZCMJDMKNTMOU-KBPBESRZSA-N 2 0 267.417 1.176 10 0 CDAERP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000582067749 357484704 /nfs/dbraw/zinc/48/47/04/357484704.db2.gz HHYWUPCMSCTIPS-HOTGVXAUSA-N 2 0 262.397 1.620 10 0 CDAERP Cc1cccc(NC(=O)C[NH+]2CCC(C[NH3+])CC2)c1 ZINC000019843250 358161497 /nfs/dbraw/zinc/16/14/97/358161497.db2.gz BKVGHIHOHASXND-UHFFFAOYSA-N 2 0 261.369 1.604 10 0 CDAERP CCC[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+](C)C ZINC000162375786 358842030 /nfs/dbraw/zinc/84/20/30/358842030.db2.gz XDMXALPBPXEBTL-RDBSUJKOSA-N 2 0 267.417 1.412 10 0 CDAERP O=C(C[C@H]1CCC[NH2+]1)N1CCC([NH+]2CCCC2)CC1 ZINC000042170530 358908923 /nfs/dbraw/zinc/90/89/23/358908923.db2.gz HSFXWWTWWZAGFD-CYBMUJFWSA-N 2 0 265.401 1.215 10 0 CDAERP CC[NH+](CC)CCNC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000079028012 359105128 /nfs/dbraw/zinc/10/51/28/359105128.db2.gz ZUTPOCNEWNUSLQ-UHFFFAOYSA-N 2 0 296.459 1.598 10 0 CDAERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)C1 ZINC000261993992 359117227 /nfs/dbraw/zinc/11/72/27/359117227.db2.gz TUOOGGNJPOCWRM-QXSJWSMHSA-N 2 0 281.444 1.075 10 0 CDAERP CCc1nc(CN[C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cs1 ZINC000262048404 359130251 /nfs/dbraw/zinc/13/02/51/359130251.db2.gz ZHZBUEMFUHHSQI-MCIONIFRSA-N 2 0 295.452 1.952 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000237145994 359354108 /nfs/dbraw/zinc/35/41/08/359354108.db2.gz AGVNDXXXZGISJV-CYBMUJFWSA-N 2 0 253.390 1.119 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000422887083 359667109 /nfs/dbraw/zinc/66/71/09/359667109.db2.gz JZBQSYZGYVLNHR-LXTVHRRPSA-N 2 0 253.434 1.966 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(OC)c(F)c1 ZINC000422925584 359678987 /nfs/dbraw/zinc/67/89/87/359678987.db2.gz BDXFHSGURJIAPA-GFCCVEGCSA-N 2 0 270.348 1.678 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCC[C@@H]1CCCC[C@H]1O ZINC000422995757 359704646 /nfs/dbraw/zinc/70/46/46/359704646.db2.gz YYXJMZKNDNNEKU-SOUVJXGZSA-N 2 0 272.433 1.661 10 0 CDAERP CCSCC[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000336692160 359720852 /nfs/dbraw/zinc/72/08/52/359720852.db2.gz BOUKXOWJGZNTPB-UHFFFAOYSA-N 2 0 271.474 1.453 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000227117215 283479278 /nfs/dbraw/zinc/47/92/78/283479278.db2.gz AGAYICWWCFPXQB-XQQFMLRXSA-N 2 0 262.353 1.543 10 0 CDAERP Cc1nccn1CC[N@@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000336704242 359737955 /nfs/dbraw/zinc/73/79/55/359737955.db2.gz IXXDUGIIDWZVNO-GXTWGEPZSA-N 3 0 250.390 1.606 10 0 CDAERP Cn1ccnc1CN1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000162948219 359782908 /nfs/dbraw/zinc/78/29/08/359782908.db2.gz HQAOTPVRSUPMNW-HNNXBMFYSA-N 2 0 291.443 1.022 10 0 CDAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000262236174 359792050 /nfs/dbraw/zinc/79/20/50/359792050.db2.gz AMJYVDYIUHZYDR-XQLPTFJDSA-N 2 0 279.428 1.589 10 0 CDAERP C[C@@H]([NH2+][C@@H](C)[C@H](C)[NH3+])[C@@H](c1ccccc1)N1CCOCC1 ZINC000423452131 359795609 /nfs/dbraw/zinc/79/56/09/359795609.db2.gz VZRUYQKXHKXNNW-MPTYRVRUSA-N 2 0 291.439 1.774 10 0 CDAERP O=C([C@@H]1CC12CC[NH2+]CC2)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000371250498 296002215 /nfs/dbraw/zinc/00/22/15/296002215.db2.gz YDWZQPHLXNOXIJ-SOUVJXGZSA-N 2 0 291.439 1.367 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)[C@@H](C)O1 ZINC000423504589 359826881 /nfs/dbraw/zinc/82/68/81/359826881.db2.gz FXRRIYUNRLBAMS-BKAAIYKLSA-N 2 0 281.444 1.358 10 0 CDAERP CC[NH+](CC)CC1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000336821949 359881875 /nfs/dbraw/zinc/88/18/75/359881875.db2.gz JVSZPBGEJCCHPS-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H](Cc1ccc(O)cc1)[N@H+](C)C[C@@H](O)CN(C)C1CC1 ZINC000336847879 359917465 /nfs/dbraw/zinc/91/74/65/359917465.db2.gz GQHVDVLWGFQVEG-CXAGYDPISA-N 2 0 292.423 1.710 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000335405065 360225386 /nfs/dbraw/zinc/22/53/86/360225386.db2.gz CKKIYPRONTZPDJ-AWEZNQCLSA-N 2 0 279.428 1.605 10 0 CDAERP CC[NH+]1CCC([NH2+]C[C@H](CO)c2cccnc2)CC1 ZINC000348690284 360543404 /nfs/dbraw/zinc/54/34/04/360543404.db2.gz YOOMPGRQSMSRMG-CQSZACIVSA-N 2 0 263.385 1.231 10 0 CDAERP C[NH+](C)C1CCC([NH2+][C@@H]2CCCS(=O)(=O)CC2)CC1 ZINC000634984318 360608310 /nfs/dbraw/zinc/60/83/10/360608310.db2.gz OGQDXRLLLMJFSP-IYXRBSQSSA-N 2 0 288.457 1.416 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000626922189 360640636 /nfs/dbraw/zinc/64/06/36/360640636.db2.gz WPJVYSLIEADVIS-UONOGXRCSA-N 2 0 282.432 1.299 10 0 CDAERP CSC[C@@H](O)C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000584345806 360798032 /nfs/dbraw/zinc/79/80/32/360798032.db2.gz BYSYTIAYPBGHCQ-BPCQOVAHSA-N 2 0 260.447 1.420 10 0 CDAERP CCCCNC(=O)[C@H](C)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000582181800 361021169 /nfs/dbraw/zinc/02/11/69/361021169.db2.gz RPUMAGYDBZSTBC-ZFWWWQNUSA-N 2 0 267.417 1.367 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000350732134 361153467 /nfs/dbraw/zinc/15/34/67/361153467.db2.gz JUCOTXFFAJLZNX-CQSZACIVSA-N 2 0 296.459 1.596 10 0 CDAERP C[NH+](C)CCNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000133692616 361427872 /nfs/dbraw/zinc/42/78/72/361427872.db2.gz NVUPXDWGUNFRPX-UHFFFAOYSA-N 2 0 296.390 1.248 10 0 CDAERP C[C@H](C[NH3+])CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000417950062 361604567 /nfs/dbraw/zinc/60/45/67/361604567.db2.gz VOGPYGVGHAVVKA-VHDGCEQUSA-N 2 0 290.411 1.326 10 0 CDAERP CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H](C)[NH2+]1 ZINC000636231026 363816330 /nfs/dbraw/zinc/81/63/30/363816330.db2.gz WFMVSAXWYBOYBS-XQQFMLRXSA-N 2 0 253.390 1.070 10 0 CDAERP Cc1cc(NC[C@@H](c2cnn(C)c2)[NH+](C)C)cc[nH+]1 ZINC000302226649 364474966 /nfs/dbraw/zinc/47/49/66/364474966.db2.gz SXNLXUFCKPGRSV-AWEZNQCLSA-N 2 0 259.357 1.838 10 0 CDAERP COC[C@H](C)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000187220961 364723822 /nfs/dbraw/zinc/72/38/22/364723822.db2.gz UOXAGZZLNLGLPK-KGLIPLIRSA-N 2 0 272.433 1.294 10 0 CDAERP C[C@@H]([NH3+])CNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000641494756 365495248 /nfs/dbraw/zinc/49/52/48/365495248.db2.gz YYXMRZCNZKJGAQ-HIFRSBDPSA-N 2 0 290.411 1.250 10 0 CDAERP CC[N@@H+](Cc1cn(C)nn1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414736912 241356749 /nfs/dbraw/zinc/35/67/49/241356749.db2.gz GWOPKOREICDWPH-NWDGAFQWSA-N 2 0 251.378 1.025 10 0 CDAERP C[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)C[C@@]1(C)C[NH3+] ZINC000311966649 367144514 /nfs/dbraw/zinc/14/45/14/367144514.db2.gz KHPRYMMJIPMULA-IAQYHMDHSA-N 2 0 261.369 1.202 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000626965345 367099711 /nfs/dbraw/zinc/09/97/11/367099711.db2.gz AAVUCBBXRJHGRK-STQMWFEESA-N 2 0 282.432 1.301 10 0 CDAERP CCC[NH+](CCC)CCCNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000626968740 367103966 /nfs/dbraw/zinc/10/39/66/367103966.db2.gz MNCZPDXXEUWRKM-UONOGXRCSA-N 2 0 284.448 1.548 10 0 CDAERP C[C@H]1C[C@H](C[NH2+]Cc2ccc(CO)c(F)c2)CC[NH2+]1 ZINC000415092563 241560364 /nfs/dbraw/zinc/56/03/64/241560364.db2.gz TUYJVVRJKIIQGJ-WCQYABFASA-N 2 0 266.360 1.796 10 0 CDAERP C[C@H]1CC[C@@H](NC(=O)NCC2([NH3+])CCCCCC2)C[NH2+]1 ZINC000627063857 367322315 /nfs/dbraw/zinc/32/23/15/367322315.db2.gz UUHKJMIEOHPMGN-QWHCGFSZSA-N 2 0 282.432 1.478 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC1([NH3+])CCCCCC1 ZINC000627062942 367323640 /nfs/dbraw/zinc/32/36/40/367323640.db2.gz NRSGYZWLPIDDLN-QWHCGFSZSA-N 2 0 282.432 1.478 10 0 CDAERP COC[C@H](O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000280559177 367438457 /nfs/dbraw/zinc/43/84/57/367438457.db2.gz UWHYDKAHGMKDJA-IXDOHACOSA-N 2 0 290.407 1.058 10 0 CDAERP CCNC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000358300410 367583831 /nfs/dbraw/zinc/58/38/31/367583831.db2.gz OYGHCOAHFQSROL-RDBSUJKOSA-N 2 0 280.416 1.007 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000417012875 242269560 /nfs/dbraw/zinc/26/95/60/242269560.db2.gz XVFYLIUNZZUNCK-UPJWGTAASA-N 2 0 270.421 1.014 10 0 CDAERP C[C@H]1CC[C@@H](NC(=O)N2CCC3(CC[NH2+]CC3)CC2)C[NH2+]1 ZINC000627208558 367705821 /nfs/dbraw/zinc/70/58/21/367705821.db2.gz YFEACQTTWPCFDK-UONOGXRCSA-N 2 0 294.443 1.302 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)C[NH2+]1 ZINC000627199855 367689555 /nfs/dbraw/zinc/68/95/55/367689555.db2.gz DZWRHVPRRPZSCJ-QLFBSQMISA-N 2 0 296.459 1.643 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000627239488 367803454 /nfs/dbraw/zinc/80/34/54/367803454.db2.gz BVFFDUWHBNGOQU-MELADBBJSA-N 2 0 282.432 1.253 10 0 CDAERP CC[NH2+][C@H](C)C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000638054300 367839119 /nfs/dbraw/zinc/83/91/19/367839119.db2.gz NNUXSCFIJFYBTQ-TZMCWYRMSA-N 2 0 263.385 1.404 10 0 CDAERP CCC[C@](C)([NH3+])C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000262144881 284006431 /nfs/dbraw/zinc/00/64/31/284006431.db2.gz PVJSNILJVVZYFL-DYEKYZERSA-N 2 0 255.406 1.349 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@@H](C)CC[NH3+])cc1 ZINC000418461505 243105730 /nfs/dbraw/zinc/10/57/30/243105730.db2.gz LYGNIZPJSIEFAH-WDEREUQCSA-N 2 0 264.373 1.243 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000418584342 243239818 /nfs/dbraw/zinc/23/98/18/243239818.db2.gz XHYBVPGPOVOKOX-UKRRQHHQSA-N 2 0 296.459 1.535 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCOCC)C1 ZINC001661314995 1172367773 /nfs/dbraw/zinc/36/77/73/1172367773.db2.gz ZBWDFTGPOKNYLR-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CC[N@@H+]1CC[C@@H](CNC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC000541855548 368686690 /nfs/dbraw/zinc/68/66/90/368686690.db2.gz FNFCXKWUUNZJHB-AWEZNQCLSA-N 2 0 290.411 1.366 10 0 CDAERP CN(CCC(=O)NCC(C)(C)C[NH+](C)C)c1cc[nH+]cc1 ZINC000541857184 368688566 /nfs/dbraw/zinc/68/85/66/368688566.db2.gz WTWFVNXGYQMDLG-UHFFFAOYSA-N 2 0 292.427 1.612 10 0 CDAERP NC(=O)N[C@H]1CC[N@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000543395627 368910730 /nfs/dbraw/zinc/91/07/30/368910730.db2.gz MXBJLYHGTVBHTB-JTQLQIEISA-N 2 0 291.380 1.176 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000362506990 369105212 /nfs/dbraw/zinc/10/52/12/369105212.db2.gz NZSUEDFGCOLSTJ-HZSPNIEDSA-N 2 0 267.417 1.412 10 0 CDAERP CCCCNC(=O)CC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420390961 244191261 /nfs/dbraw/zinc/19/12/61/244191261.db2.gz ICDUNDVCVVLYFA-LSDHHAIUSA-N 2 0 281.444 1.757 10 0 CDAERP C[C@@H](CC[NH3+])[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000414894968 369424308 /nfs/dbraw/zinc/42/43/08/369424308.db2.gz MFALSPCHCDFWNP-JTQLQIEISA-N 2 0 250.371 1.761 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000567364901 370969012 /nfs/dbraw/zinc/96/90/12/370969012.db2.gz XZRSLXHOJIIFGX-MJBXVCDLSA-N 2 0 265.401 1.023 10 0 CDAERP CO[C@](C)(CO)C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000655785153 412779344 /nfs/dbraw/zinc/77/93/44/412779344.db2.gz HPAWYKYQMILUDE-AWEZNQCLSA-N 2 0 258.406 1.236 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000134586838 369573329 /nfs/dbraw/zinc/57/33/29/369573329.db2.gz FDASAPCWGXBLBO-RBSFLKMASA-N 2 0 279.428 1.461 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)C1 ZINC000246679362 370087662 /nfs/dbraw/zinc/08/76/62/370087662.db2.gz QVOYYYMSJUBDEI-KBMXLJTQSA-N 2 0 289.423 1.923 10 0 CDAERP CC(C)[NH+]1CCC([NH2+]CC2(O)Cc3ccccc3C2)CC1 ZINC000370620675 370107534 /nfs/dbraw/zinc/10/75/34/370107534.db2.gz VIDZDCVFADBSQY-UHFFFAOYSA-N 2 0 288.435 1.979 10 0 CDAERP CCOCC[N@@H+]1CCN(CCC[NH+]2CCCCC2)C[C@H]1C ZINC000249335907 370140371 /nfs/dbraw/zinc/14/03/71/370140371.db2.gz IGICGENBRXBSBQ-QGZVFWFLSA-N 2 0 297.487 1.905 10 0 CDAERP FC1(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)CC1 ZINC000564763859 370252622 /nfs/dbraw/zinc/25/26/22/370252622.db2.gz PXZFDQCLFNYPBC-UHFFFAOYSA-N 2 0 270.392 1.923 10 0 CDAERP [NH3+][C@H](C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000371235397 370220201 /nfs/dbraw/zinc/22/02/01/370220201.db2.gz KAWGLGARPGSDBC-PMPSAXMXSA-N 2 0 287.407 1.677 10 0 CDAERP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCOCCOc1ccccc1 ZINC000565155773 370362454 /nfs/dbraw/zinc/36/24/54/370362454.db2.gz FXTAMLILOVJNBL-GJZGRUSLSA-N 2 0 278.396 1.894 10 0 CDAERP Cc1cc(CN[C@H]2C[NH2+]CC[C@H]2C)ccc1-n1cncn1 ZINC000414932872 370524989 /nfs/dbraw/zinc/52/49/89/370524989.db2.gz RLCBCGBYASYDAX-DOMZBBRYSA-N 2 0 285.395 1.663 10 0 CDAERP CC[C@@H]([NH2+][C@@H](CCC[NH3+])COC)c1ccncc1 ZINC000422777138 245245918 /nfs/dbraw/zinc/24/59/18/245245918.db2.gz FKNUNWIOVOROKI-UONOGXRCSA-N 2 0 251.374 1.876 10 0 CDAERP C[C@H](N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1c[nH+]ccc1N ZINC000422859222 245343266 /nfs/dbraw/zinc/34/32/66/245343266.db2.gz HBXMUETVKNOFNG-GRYCIOLGSA-N 2 0 260.385 1.770 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000123098458 371248864 /nfs/dbraw/zinc/24/88/64/371248864.db2.gz YEURZHDJFZPSNB-RRFJBIMHSA-N 2 0 298.475 1.745 10 0 CDAERP CCC[C@H](C)C[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414985108 371475774 /nfs/dbraw/zinc/47/57/74/371475774.db2.gz MWXRPGIXGMBIGH-NWDGAFQWSA-N 2 0 281.366 1.848 10 0 CDAERP CC(C)[C@H](C[NH2+][C@@H]1C[C@@H](C)[C@H]1C)N1CC[NH+](C)CC1 ZINC000336819056 371641009 /nfs/dbraw/zinc/64/10/09/371641009.db2.gz YBHUKCLKOTUHBX-FPCVCCKLSA-N 2 0 267.461 1.893 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NCC2(C)CC[NH+](C)CC2)C1 ZINC000580724387 372282627 /nfs/dbraw/zinc/28/26/27/372282627.db2.gz YYANAYUTXYQOGU-ZDUSSCGKSA-N 2 0 267.417 1.176 10 0 CDAERP C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccc(-n2ccnn2)cc1 ZINC000578313990 372385041 /nfs/dbraw/zinc/38/50/41/372385041.db2.gz MBAWZYKYBOLEDP-RYUDHWBXSA-N 2 0 271.368 1.526 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000176207836 372719644 /nfs/dbraw/zinc/71/96/44/372719644.db2.gz JTYMIHFSGVQNHI-HUUCEWRRSA-N 2 0 298.475 1.842 10 0 CDAERP Cc1nn(C)c(C)c1C[C@H](C)[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000415101598 372842617 /nfs/dbraw/zinc/84/26/17/372842617.db2.gz IWODHUXMKYORRM-XUJVJEKNSA-N 2 0 278.444 1.946 10 0 CDAERP COCCN1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000380753889 372883118 /nfs/dbraw/zinc/88/31/18/372883118.db2.gz BSJVASPLDFRYDQ-GJZGRUSLSA-N 2 0 269.433 1.027 10 0 CDAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000333353880 205246297 /nfs/dbraw/zinc/24/62/97/205246297.db2.gz JZWVRVFPIYUQBP-HZSPNIEDSA-N 2 0 282.432 1.014 10 0 CDAERP c1ncn(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000330174659 373313717 /nfs/dbraw/zinc/31/37/17/373313717.db2.gz IKUFGAJFHLKGHW-BFHYXJOUSA-N 2 0 263.389 1.179 10 0 CDAERP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)C[NH+](C)C ZINC000341268594 373519331 /nfs/dbraw/zinc/51/93/31/373519331.db2.gz KJLYRHNTEMGJNM-LBPRGKRZSA-N 2 0 255.406 1.032 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000341704362 373918576 /nfs/dbraw/zinc/91/85/76/373918576.db2.gz GRBCXXXYQBQFEF-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H]([NH3+])[C@H](C)C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000252839477 541917791 /nfs/dbraw/zinc/91/77/91/541917791.db2.gz AXRKDRRZMRVGRL-VOAKCMCISA-N 2 0 253.390 1.055 10 0 CDAERP C[NH+]1CCC(C(=O)N2CCCCC[C@H]([NH3+])C2)CC1 ZINC000638815265 374993557 /nfs/dbraw/zinc/99/35/57/374993557.db2.gz CGGDVWOGWKXJAA-ZDUSSCGKSA-N 2 0 253.390 1.058 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000417001763 375712733 /nfs/dbraw/zinc/71/27/33/375712733.db2.gz FNNQTYLBYHOAQV-UPJWGTAASA-N 2 0 270.421 1.095 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000417310463 375760752 /nfs/dbraw/zinc/76/07/52/375760752.db2.gz KCTKACHSBAIELF-UPJWGTAASA-N 2 0 270.421 1.142 10 0 CDAERP C[C@H](CNC(=O)N1CC[C@H]([NH3+])[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000417310776 375761209 /nfs/dbraw/zinc/76/12/09/375761209.db2.gz KUOHJHWAOAPQSO-RDBSUJKOSA-N 2 0 282.432 1.238 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CCC[NH+](C)C2)CC[N@@H+]1C ZINC000631320230 376097655 /nfs/dbraw/zinc/09/76/55/376097655.db2.gz FYPDCONRJNQXCX-QLFBSQMISA-N 2 0 281.444 1.517 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000638975998 376323220 /nfs/dbraw/zinc/32/32/20/376323220.db2.gz RVOHKDWCSCULPG-VXGBXAGGSA-N 2 0 255.406 1.303 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@H]([NH3+])C2CCC2)CC1 ZINC000638980903 376338823 /nfs/dbraw/zinc/33/88/23/376338823.db2.gz OXMSABWJIAYMKG-CYBMUJFWSA-N 2 0 267.417 1.447 10 0 CDAERP C[C@H]1CC[N@H+](CCOCCOc2ccccc2)C[C@@H]1C[NH3+] ZINC000420407675 376348773 /nfs/dbraw/zinc/34/87/73/376348773.db2.gz ONCRLMNYCMLRFU-HOTGVXAUSA-N 2 0 292.423 1.999 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C2CN(c3ccncn3)C2)[C@@H]2CCC[C@H]21 ZINC000631748109 376541088 /nfs/dbraw/zinc/54/10/88/376541088.db2.gz XBXBEGTYOJRZBY-SOUVJXGZSA-N 2 0 287.411 1.128 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000418361026 284580095 /nfs/dbraw/zinc/58/00/95/284580095.db2.gz GNLDXLGQCZWQAU-OAHLLOKOSA-N 2 0 296.459 1.502 10 0 CDAERP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ccc2oc(=O)n(C)c2c1 ZINC000631821718 376643063 /nfs/dbraw/zinc/64/30/63/376643063.db2.gz GZALUYAGONBWRP-CYBMUJFWSA-N 2 0 291.395 1.937 10 0 CDAERP CC[C@@H]1CN(Cc2ccc3oc(=O)n(C)c3c2)CC[C@H]1[NH3+] ZINC000631825077 376653967 /nfs/dbraw/zinc/65/39/67/376653967.db2.gz YARTXXFFEQNRBT-CHWSQXEVSA-N 2 0 289.379 1.691 10 0 CDAERP CCN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000631825495 376656429 /nfs/dbraw/zinc/65/64/29/376656429.db2.gz KMKPJWMTEIREGA-LLVKDONJSA-N 2 0 295.349 1.458 10 0 CDAERP c1nc2n(n1)[C@H](C[NH+]1CCC([C@@H]3CCC[NH2+]3)CC1)CC2 ZINC000631827844 376662575 /nfs/dbraw/zinc/66/25/75/376662575.db2.gz XVMMFRTWJBNTDA-KBPBESRZSA-N 2 0 275.400 1.229 10 0 CDAERP C[NH2+]CCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000070189706 377012856 /nfs/dbraw/zinc/01/28/56/377012856.db2.gz DJTSKTFKUUQPNJ-UHFFFAOYSA-N 2 0 255.406 1.223 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)[C@]2(CC)CCC[NH2+]2)C1 ZINC000128963041 377343254 /nfs/dbraw/zinc/34/32/54/377343254.db2.gz SCVSYSQDEQNPCT-OCCSQVGLSA-N 2 0 253.390 1.119 10 0 CDAERP O=C1C(C[NH2+]CCN2CCCC2)=CC2=CC=C[C@@H]3CCN1[C@@H]23 ZINC000039287518 377426056 /nfs/dbraw/zinc/42/60/56/377426056.db2.gz OKEFDLLYRVTRRX-RHSMWYFYSA-N 2 0 299.418 1.325 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)cc1 ZINC000334960613 377736449 /nfs/dbraw/zinc/73/64/49/377736449.db2.gz JSHYXRORUPIYIA-KRWDZBQOSA-N 2 0 295.386 1.932 10 0 CDAERP C[NH2+][C@@H]1CCCN(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000417534311 377876303 /nfs/dbraw/zinc/87/63/03/377876303.db2.gz OAKLQXZMGVPOQI-QLFBSQMISA-N 2 0 296.459 1.643 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCN(C(=O)CC[C@@H](C)[NH3+])C1 ZINC000193321071 378275097 /nfs/dbraw/zinc/27/50/97/378275097.db2.gz XDLYIMYDPWFNQI-CHWSQXEVSA-N 2 0 255.406 1.304 10 0 CDAERP Cc1ncccc1C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000657574549 412907460 /nfs/dbraw/zinc/90/74/60/412907460.db2.gz ZDJOTHWHVRREHT-AWEZNQCLSA-N 2 0 278.444 1.752 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)C[NH2+]C1CCCC1 ZINC000041680117 184550664 /nfs/dbraw/zinc/55/06/64/184550664.db2.gz PSLMDISSCRBSEF-GFCCVEGCSA-N 2 0 255.406 1.365 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000662406905 412975604 /nfs/dbraw/zinc/97/56/04/412975604.db2.gz MNYMAVXZCMMIMV-BARDWOONSA-N 2 0 299.459 1.221 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C[NH+](C)C(C)C ZINC001663123233 1172636411 /nfs/dbraw/zinc/63/64/11/1172636411.db2.gz DFZCFOLXTUWCRW-AWEZNQCLSA-N 2 0 269.433 1.707 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001663119883 1172637360 /nfs/dbraw/zinc/63/73/60/1172637360.db2.gz ONAIQSGDNFZOKG-AWEZNQCLSA-N 2 0 279.428 1.463 10 0 CDAERP CC(C)(C)[NH2+]CCNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653347300 412998552 /nfs/dbraw/zinc/99/85/52/412998552.db2.gz ZSAKSIREJRWITP-NWDGAFQWSA-N 2 0 253.390 1.021 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000092630115 285236731 /nfs/dbraw/zinc/23/67/31/285236731.db2.gz BHKTWAULLYPDPU-MGPQQGTHSA-N 2 0 267.417 1.304 10 0 CDAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H](C[NH3+])CC(C)C ZINC000662442375 413021970 /nfs/dbraw/zinc/02/19/70/413021970.db2.gz RZZHLRJWJMWCNF-LSDHHAIUSA-N 2 0 299.459 1.225 10 0 CDAERP COCC[C@H]1CCCC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000660294196 413041505 /nfs/dbraw/zinc/04/15/05/413041505.db2.gz WPVCPHPYSVQNGD-HZPDHXFCSA-N 2 0 286.460 1.826 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](C)C[C@@H]21 ZINC000646918972 390289533 /nfs/dbraw/zinc/28/95/33/390289533.db2.gz BYBXGVSIZPSSHM-MJBXVCDLSA-N 2 0 265.401 1.023 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H](c1ccccc1)N(C)C ZINC000234788427 285373255 /nfs/dbraw/zinc/37/32/55/285373255.db2.gz UJNRQKVKPLDAKS-JKSUJKDBSA-N 2 0 279.428 1.633 10 0 CDAERP COc1ncncc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000647206713 390867200 /nfs/dbraw/zinc/86/72/00/390867200.db2.gz ASVMAVZPFOIBIM-UHFFFAOYSA-N 2 0 276.384 1.449 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000648187757 390947675 /nfs/dbraw/zinc/94/76/75/390947675.db2.gz XUOOHAVQYODUOR-STQMWFEESA-N 2 0 279.428 1.556 10 0 CDAERP O=C(N[C@H]1CC[NH2+]C12CCCC2)[C@@H]1CC12CC[NH2+]CC2 ZINC000648209864 390952520 /nfs/dbraw/zinc/95/25/20/390952520.db2.gz DKDUKPBPTSREFN-STQMWFEESA-N 2 0 277.412 1.167 10 0 CDAERP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cc2n(n1)CCCC2 ZINC000647290000 390921407 /nfs/dbraw/zinc/92/14/07/390921407.db2.gz RYRVDQOUBHEQMP-ZDUSSCGKSA-N 2 0 292.427 1.327 10 0 CDAERP OCc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1F ZINC000415083043 391000402 /nfs/dbraw/zinc/00/04/02/391000402.db2.gz DYAYWGOZBLKJPE-ZDUSSCGKSA-N 2 0 252.333 1.550 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000415129675 391043861 /nfs/dbraw/zinc/04/38/61/391043861.db2.gz VPTZTQLHMMGEHY-DUVNUKRYSA-N 2 0 279.403 1.926 10 0 CDAERP O=C(NC1CC[NH+](C[C@H]2CC[NH2+]C2)CC1)C1CCCCC1 ZINC000647882724 391138756 /nfs/dbraw/zinc/13/87/56/391138756.db2.gz VSNXKNRMWLMLMY-AWEZNQCLSA-N 2 0 293.455 1.757 10 0 CDAERP CC1=CC[N@H+](CCNC(=O)NCCC[NH2+]C2CC2)CC1 ZINC000418009618 391287316 /nfs/dbraw/zinc/28/73/16/391287316.db2.gz FJXBNFGTIAQBIP-UHFFFAOYSA-N 2 0 280.416 1.080 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@H]2CCC[NH2+]C2)cc1 ZINC000418318159 391305627 /nfs/dbraw/zinc/30/56/27/391305627.db2.gz NNQRTOXLVVFECT-OCCSQVGLSA-N 2 0 290.411 1.505 10 0 CDAERP CCC(CC)(C[NH3+])C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000648104711 391338832 /nfs/dbraw/zinc/33/88/32/391338832.db2.gz KESLQQUVASAJPA-KBPBESRZSA-N 2 0 281.444 1.742 10 0 CDAERP C[C@@H](NC(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H](C)[NH3+] ZINC000417255728 391346352 /nfs/dbraw/zinc/34/63/52/391346352.db2.gz QHLKLOHOEYWPGJ-ZUWCUPBKSA-N 2 0 284.448 1.388 10 0 CDAERP Fc1ccc(N2CC[C@@H]([NH2+]C3CC[NH2+]CC3)C2)cc1 ZINC000335172303 391355315 /nfs/dbraw/zinc/35/53/15/391355315.db2.gz JJMFQDGJSNXCEH-CQSZACIVSA-N 2 0 263.360 1.746 10 0 CDAERP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N[C@@H](C)[C@H](C)[NH3+])cc1 ZINC000418357495 391384997 /nfs/dbraw/zinc/38/49/97/391384997.db2.gz QSPUCWNUUUOQLP-SLEUVZQESA-N 2 0 292.427 1.845 10 0 CDAERP CS[C@H]1CC[C@@H]1[NH2+]CCCC[NH+]1CCOCC1 ZINC000425364344 391485935 /nfs/dbraw/zinc/48/59/35/391485935.db2.gz ZBTGMCPURBHMDS-STQMWFEESA-N 2 0 258.431 1.582 10 0 CDAERP CS[C@@H]1CC[C@@H]1[NH2+]CCCC[NH+]1CCOCC1 ZINC000425364343 391485983 /nfs/dbraw/zinc/48/59/83/391485983.db2.gz ZBTGMCPURBHMDS-QWHCGFSZSA-N 2 0 258.431 1.582 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)NCC1([NH3+])CCCCCC1 ZINC000417815459 391483150 /nfs/dbraw/zinc/48/31/50/391483150.db2.gz ROZOTUSBQIYQAL-ZDUSSCGKSA-N 2 0 281.444 1.933 10 0 CDAERP CS[C@@H]1CC[C@@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000425356822 391484214 /nfs/dbraw/zinc/48/42/14/391484214.db2.gz MQQJAYDURXPLPJ-UONOGXRCSA-N 2 0 271.474 1.496 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000418578259 391520246 /nfs/dbraw/zinc/52/02/46/391520246.db2.gz PUQSGMSMOKZNSV-HZSPNIEDSA-N 2 0 282.432 1.109 10 0 CDAERP C[C@H](CNC(=O)NC[C@@H]([NH3+])c1ccccc1)[N@H+](C)C1CC1 ZINC000417539340 391646682 /nfs/dbraw/zinc/64/66/82/391646682.db2.gz DZCIGVPOUFEDNY-IUODEOHRSA-N 2 0 290.411 1.468 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000417541116 391649554 /nfs/dbraw/zinc/64/95/54/391649554.db2.gz XZAFTVAKETZHMT-MBNYWOFBSA-N 2 0 282.432 1.286 10 0 CDAERP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@H](O)C(F)F ZINC000647798873 391660730 /nfs/dbraw/zinc/66/07/30/391660730.db2.gz YLIBAKAEGNZCJA-LVEVGFFFSA-N 2 0 262.344 1.369 10 0 CDAERP C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000647990814 391671184 /nfs/dbraw/zinc/67/11/84/391671184.db2.gz JTEIKOHAWCRVIQ-XJKCOSOUSA-N 2 0 260.381 1.920 10 0 CDAERP C[NH+](C)Cc1cc(CNC(=O)NC(C)(C)C[NH3+])ccc1F ZINC000417653367 391719816 /nfs/dbraw/zinc/71/98/16/391719816.db2.gz BAGNXLQYJCTEPU-UHFFFAOYSA-N 2 0 296.390 1.424 10 0 CDAERP C[C@H]1C[C@@H]1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415062079 391740055 /nfs/dbraw/zinc/74/00/55/391740055.db2.gz ZNYOFDCBEAPEBJ-ZUJMUWTESA-N 2 0 251.418 1.448 10 0 CDAERP CC(C)(C)[NH2+]CCN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415041245 391734597 /nfs/dbraw/zinc/73/45/97/391734597.db2.gz LFOGUKJHYGXOOZ-KGLIPLIRSA-N 2 0 253.434 1.839 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000418197343 391797698 /nfs/dbraw/zinc/79/76/98/391797698.db2.gz JEXOSUAQPSXPJS-MJBXVCDLSA-N 2 0 284.448 1.404 10 0 CDAERP CC[NH2+]Cc1ccccc1NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000647662816 391828892 /nfs/dbraw/zinc/82/88/92/391828892.db2.gz VCZSJQHSSZAFGR-CYBMUJFWSA-N 2 0 277.368 1.113 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)c2ccc(C[NH3+])o2)CC[N@@H+]1C ZINC000646069022 391970558 /nfs/dbraw/zinc/97/05/58/391970558.db2.gz JEDIFSRODKQQRX-GHMZBOCLSA-N 2 0 265.357 1.293 10 0 CDAERP C[C@@H]1CC[N@H+](CCNC(=O)[C@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000649341728 392072100 /nfs/dbraw/zinc/07/21/00/392072100.db2.gz SYLOFSLHPPBMFZ-IUODEOHRSA-N 2 0 293.386 1.326 10 0 CDAERP CC[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)C[C@H]1N1CCOCC1 ZINC000262017298 392029618 /nfs/dbraw/zinc/02/96/18/392029618.db2.gz VTUXMLCZGOHENR-ARFHVFGLSA-N 2 0 281.444 1.029 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000423071415 392316695 /nfs/dbraw/zinc/31/66/95/392316695.db2.gz HUAGUGFSSMMVSV-YWPYICTPSA-N 2 0 293.386 1.642 10 0 CDAERP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCn1ccnn1 ZINC000423031493 392287258 /nfs/dbraw/zinc/28/72/58/392287258.db2.gz LCBITGRGXNZTBM-HIFRSBDPSA-N 2 0 273.384 1.216 10 0 CDAERP C[C@H](CCN[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)[NH+]1CCCCC1 ZINC000423033619 392289518 /nfs/dbraw/zinc/28/95/18/392289518.db2.gz OTBRHHNUOQCQET-PVAVHDDUSA-N 2 0 295.471 1.608 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000457973617 392308626 /nfs/dbraw/zinc/30/86/26/392308626.db2.gz IRSVAHKBBOGNOY-BETUJISGSA-N 2 0 286.379 1.823 10 0 CDAERP CO[C@H](C)C[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000442998643 392362322 /nfs/dbraw/zinc/36/23/22/392362322.db2.gz DWWOTKKUWZTRFU-LLVKDONJSA-N 2 0 260.341 1.700 10 0 CDAERP C[C@H](NCc1ccc2c[nH+]cn2c1)[C@H]1CCCC[NH2+]1 ZINC000423171301 392410025 /nfs/dbraw/zinc/41/00/25/392410025.db2.gz OAMDPEISHOQGPP-SWLSCSKDSA-N 2 0 258.369 1.955 10 0 CDAERP C[C@H](Cc1ccoc1)[NH2+]CCCN1CC[NH2+]CC1 ZINC000423190105 392429020 /nfs/dbraw/zinc/42/90/20/392429020.db2.gz RPRQHHQTIMODNX-CYBMUJFWSA-N 2 0 251.374 1.096 10 0 CDAERP C[C@H](NC[C@H]([NH3+])c1ccccc1)c1c[nH+]ccc1N ZINC000423253563 392471839 /nfs/dbraw/zinc/47/18/39/392471839.db2.gz WEEOCHIBFPVXBE-NHYWBVRUSA-N 2 0 256.353 1.845 10 0 CDAERP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000646483599 392489572 /nfs/dbraw/zinc/48/95/72/392489572.db2.gz GSLULIQLZIXTSF-ILXRZTDVSA-N 2 0 281.444 1.802 10 0 CDAERP C[C@@H](CC(F)(F)F)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000574253505 392552523 /nfs/dbraw/zinc/55/25/23/392552523.db2.gz GZWXISLAVANSLC-NSHDSACASA-N 2 0 297.365 1.527 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCc2cc(N)ccc21 ZINC000423371848 392547372 /nfs/dbraw/zinc/54/73/72/392547372.db2.gz VHMFIZWFSOFQPE-GDBMZVCRSA-N 2 0 277.412 1.990 10 0 CDAERP CC[NH+](CC)Cc1ccc(C(=O)N2CCC([NH2+]C)CC2)o1 ZINC000646733767 392708741 /nfs/dbraw/zinc/70/87/41/392708741.db2.gz ZIUYZJQOHRANEV-UHFFFAOYSA-N 2 0 293.411 1.945 10 0 CDAERP Cc1cc(N2CC[N@@H+](CCO)C[C@@H]2C)nc(C2CC2)n1 ZINC000450958038 393031258 /nfs/dbraw/zinc/03/12/58/393031258.db2.gz VJPFAKHLTRTKJR-LBPRGKRZSA-N 2 0 276.384 1.165 10 0 CDAERP CC(=O)[C@](C)(O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000649245827 393176739 /nfs/dbraw/zinc/17/67/39/393176739.db2.gz GBFMVJVTENIDKT-QGZVFWFLSA-N 2 0 296.455 1.914 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2C[C@H](C)[C@H]2C)CC1 ZINC000494923091 393131203 /nfs/dbraw/zinc/13/12/03/393131203.db2.gz MMWRBGCCNRYVSL-GBJTYRQASA-N 2 0 253.434 1.647 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CCC[NH+](C)C2)CC[N@@H+]1C ZINC000548747854 393363969 /nfs/dbraw/zinc/36/39/69/393363969.db2.gz NINWWQRPBXXHFC-IHRRRGAJSA-N 2 0 267.417 1.269 10 0 CDAERP C[C@@H]1[C@H](C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC[N@@H+]1C ZINC000648798413 393372296 /nfs/dbraw/zinc/37/22/96/393372296.db2.gz DWZBJNSQNFPVEX-VAQLIOGMSA-N 2 0 279.428 1.458 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@@H](O)COc2ccccc2)C1 ZINC000656153323 413060326 /nfs/dbraw/zinc/06/03/26/413060326.db2.gz OVZTZEAPNXNJBC-QLFBSQMISA-N 2 0 278.396 1.356 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@@H](O)CC2CCCC2)C1 ZINC000656153756 413060698 /nfs/dbraw/zinc/06/06/98/413060698.db2.gz MKKFQLRFVRIPBF-ZNMIVQPWSA-N 2 0 254.418 1.857 10 0 CDAERP C[C@H](CNC(=O)N(C)CC1C[NH+](C)C1)[N@@H+]1CCCC[C@H]1C ZINC000660343743 413069605 /nfs/dbraw/zinc/06/96/05/413069605.db2.gz ZOCMFGKGZALNHL-ZIAGYGMSSA-N 2 0 296.459 1.452 10 0 CDAERP CC[C@@H]([NH2+]C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000662503511 413073577 /nfs/dbraw/zinc/07/35/77/413073577.db2.gz VKDPPGAEAGXWFI-HZPDHXFCSA-N 2 0 289.423 1.717 10 0 CDAERP C[NH+](C)C1CCN(c2nc3c(cc2C(N)=[NH2+])CCC3)CC1 ZINC000043406596 134901328 /nfs/dbraw/zinc/90/13/28/134901328.db2.gz PTUDGOYMELFVSU-UHFFFAOYSA-N 2 0 287.411 1.385 10 0 CDAERP CC[NH2+]CCNC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000417531900 285595167 /nfs/dbraw/zinc/59/51/67/285595167.db2.gz JYCLWSNHNFRGMI-STQMWFEESA-N 2 0 270.421 1.158 10 0 CDAERP C[C@H](CCn1cccn1)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000183713870 140029913 /nfs/dbraw/zinc/02/99/13/140029913.db2.gz GHRWYHCIDZAIQD-HUUCEWRRSA-N 2 0 280.416 1.098 10 0 CDAERP [NH3+]CCCC(=O)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186566519 140063561 /nfs/dbraw/zinc/06/35/61/140063561.db2.gz RNKDZDMPSCNSLR-HNNXBMFYSA-N 2 0 290.411 1.291 10 0 CDAERP CC(C)[NH+](CCCNC(=O)[C@H]1C[C@H](F)C[NH2+]1)C(C)C ZINC000188931682 140104681 /nfs/dbraw/zinc/10/46/81/140104681.db2.gz RNOSOXUTOZQTDO-QWHCGFSZSA-N 2 0 273.396 1.312 10 0 CDAERP C[NH2+]CCc1ccccc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000228503802 140193808 /nfs/dbraw/zinc/19/38/08/140193808.db2.gz QSWGTBWANOJKAQ-CQSZACIVSA-N 2 0 275.396 1.225 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(OC)cc1 ZINC000234794560 140231752 /nfs/dbraw/zinc/23/17/52/140231752.db2.gz NGWSZQWXCCHESP-ZDUSSCGKSA-N 2 0 252.358 1.539 10 0 CDAERP C[C@H](C(=O)N1CCC[C@H]1C[NH+](C)C)[C@H]([NH3+])c1ccccc1 ZINC000251024954 140307455 /nfs/dbraw/zinc/30/74/55/140307455.db2.gz FHVAUIRLBLETDF-BPUTZDHNSA-N 2 0 289.423 1.875 10 0 CDAERP Cc1cccc(NC(=O)CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000252872740 140327678 /nfs/dbraw/zinc/32/76/78/140327678.db2.gz UIBYHYVHAVDMBL-BPUTZDHNSA-N 2 0 287.407 1.993 10 0 CDAERP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](N[C@@H]4CC[NH2+]C4)[C@@H]3C2)cc1 ZINC000261547952 140344440 /nfs/dbraw/zinc/34/44/40/140344440.db2.gz MWXCRFHTCSNDBO-MLHJIOFPSA-N 2 0 285.435 1.849 10 0 CDAERP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)C[C@H](C)[NH3+])CC2 ZINC000261761560 140385949 /nfs/dbraw/zinc/38/59/49/140385949.db2.gz IBFOOOYFBPDIRT-XQQFMLRXSA-N 2 0 253.390 1.197 10 0 CDAERP C[C@]1(CN2CC[NH+](CCc3cccs3)CC2)CC[NH2+]C1 ZINC000261772794 140387445 /nfs/dbraw/zinc/38/74/45/140387445.db2.gz MVBXTPFIIKVJPT-INIZCTEOSA-N 2 0 293.480 1.908 10 0 CDAERP C[C@@H](CC(=O)N1CCC2(CC[NH2+]2)CC1)C1CC[NH2+]CC1 ZINC000335407702 140608406 /nfs/dbraw/zinc/60/84/06/140608406.db2.gz VGECWJIUSXFUCH-ZDUSSCGKSA-N 2 0 279.428 1.367 10 0 CDAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000662511866 413081065 /nfs/dbraw/zinc/08/10/65/413081065.db2.gz MKRMMOVVNXJCTA-IMJJTQAJSA-N 2 0 289.423 1.751 10 0 CDAERP C[C@H](NC(=O)NCCN(C)CCC[NH+](C)C)C1CCCC1 ZINC000664120801 413090360 /nfs/dbraw/zinc/09/03/60/413090360.db2.gz YROCVQJFLNTKGD-AWEZNQCLSA-N 2 0 298.475 1.748 10 0 CDAERP COCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000656201687 413102317 /nfs/dbraw/zinc/10/23/17/413102317.db2.gz XJZFNKNXOJMHKR-HZSPNIEDSA-N 2 0 252.402 1.923 10 0 CDAERP CC[C@H]([NH2+]C)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000662533440 413104926 /nfs/dbraw/zinc/10/49/26/413104926.db2.gz PGMMNKYYRSKPEP-BPCQOVAHSA-N 2 0 253.390 1.118 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000662594468 413167482 /nfs/dbraw/zinc/16/74/82/413167482.db2.gz UBVJSFRBDKPKMV-AWEZNQCLSA-N 2 0 289.423 1.996 10 0 CDAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000394340606 397812853 /nfs/dbraw/zinc/81/28/53/397812853.db2.gz GJERASLGNAEHJD-LJISPDSOSA-N 2 0 279.428 1.447 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000389040481 397816476 /nfs/dbraw/zinc/81/64/76/397816476.db2.gz MXYSBLFUSFECQW-ZIAGYGMSSA-N 2 0 267.417 1.365 10 0 CDAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1C1CCCC1 ZINC000651263732 397897676 /nfs/dbraw/zinc/89/76/76/397897676.db2.gz DYOXJULRXWXXLK-JKSUJKDBSA-N 2 0 295.471 1.765 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]CC[C@H](COC)OC)[C@@H](C)C1 ZINC000658085396 413185504 /nfs/dbraw/zinc/18/55/04/413185504.db2.gz WGSAIYJZHQVKRF-MJBXVCDLSA-N 2 0 258.406 1.358 10 0 CDAERP COC(=O)c1ccc(C[NH+]2CCC([C@H](C)[NH3+])CC2)nc1 ZINC000094763032 147094466 /nfs/dbraw/zinc/09/44/66/147094466.db2.gz ULIGDVOWSJIZNU-NSHDSACASA-N 2 0 277.368 1.427 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCC[NH+]2C)C1 ZINC000105192147 147217423 /nfs/dbraw/zinc/21/74/23/147217423.db2.gz RBOLCLCHIMFVBF-GJZGRUSLSA-N 2 0 296.459 1.500 10 0 CDAERP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)[C@H]1CCCO1 ZINC000658107167 413207473 /nfs/dbraw/zinc/20/74/73/413207473.db2.gz KTCLSAVYZDYJII-RRFJBIMHSA-N 2 0 271.449 1.416 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC000119472102 147322372 /nfs/dbraw/zinc/32/23/72/147322372.db2.gz UAIDTIUAMGARBL-CQSZACIVSA-N 2 0 269.433 1.563 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000178836064 148093362 /nfs/dbraw/zinc/09/33/62/148093362.db2.gz RDYCNYRYQCXDQW-STQMWFEESA-N 2 0 255.406 1.352 10 0 CDAERP C[C@@H](NC(=O)N1CC[N@@H+]2CCC[C@H]2C1)C(C)(C)C[NH+](C)C ZINC000246421496 148751392 /nfs/dbraw/zinc/75/13/92/148751392.db2.gz VOOHYTCFEKLZKH-KGLIPLIRSA-N 2 0 296.459 1.452 10 0 CDAERP C[C@@H](NC(=O)[C@H]1CC[NH2+][C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000262471777 149067185 /nfs/dbraw/zinc/06/71/85/149067185.db2.gz WXGHBLNNLDDFSX-XQQFMLRXSA-N 2 0 269.433 1.467 10 0 CDAERP COCC(C)(C)[NH+]1CCN(C[C@H]([NH3+])CC(C)C)CC1 ZINC000424371499 292200938 /nfs/dbraw/zinc/20/09/38/292200938.db2.gz VFFYKOQZLZPCGF-CQSZACIVSA-N 2 0 271.449 1.402 10 0 CDAERP CO[C@H]1C[C@H]2C[C@H]([NH2+][C@@H](C)CN3CC[NH+](C)CC3)C[C@H]2C1 ZINC000424290568 286115602 /nfs/dbraw/zinc/11/56/02/286115602.db2.gz BDTAGXRRZFHPQQ-FIDHJVLJSA-N 2 0 295.471 1.416 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CC[NH2+][C@H](C)C2)cc1 ZINC000335198471 150397899 /nfs/dbraw/zinc/39/78/99/150397899.db2.gz XVNQIJPGIZJHBK-VXGBXAGGSA-N 2 0 276.384 1.210 10 0 CDAERP Cc1c(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cnn1C ZINC000335918781 151112952 /nfs/dbraw/zinc/11/29/52/151112952.db2.gz DRMRQNRSRKYMIS-BXUZGUMPSA-N 2 0 250.390 1.643 10 0 CDAERP C[NH+](C)[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000335734350 289290778 /nfs/dbraw/zinc/29/07/78/289290778.db2.gz BGWRFRGNAANGAY-OAHLLOKOSA-N 2 0 281.444 1.661 10 0 CDAERP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)Nc1ccccc1 ZINC000336129148 151294697 /nfs/dbraw/zinc/29/46/97/151294697.db2.gz MVTCLGOOVGHRSK-UHFFFAOYSA-N 2 0 273.380 1.701 10 0 CDAERP C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000343872384 152333974 /nfs/dbraw/zinc/33/39/74/152333974.db2.gz SPABYSUUSFMNQU-ZBFHGGJFSA-N 3 0 291.439 1.667 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662660020 413263371 /nfs/dbraw/zinc/26/33/71/413263371.db2.gz AUXRBQJWPOECKJ-SNVBAGLBSA-N 2 0 280.372 1.083 10 0 CDAERP COC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)C1CCOCC1 ZINC000658239039 413304171 /nfs/dbraw/zinc/30/41/71/413304171.db2.gz SWJZBNLZSOQWSU-HUUCEWRRSA-N 2 0 270.417 1.502 10 0 CDAERP CC[N@@H+]1CC[C@@H](CNC(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662683432 413306508 /nfs/dbraw/zinc/30/65/08/413306508.db2.gz ZGAUXMFZCAOBPS-LBPRGKRZSA-N 2 0 265.401 1.119 10 0 CDAERP CN(C(=O)c1cc(C(C)(C)[NH3+])no1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000662720289 413379305 /nfs/dbraw/zinc/37/93/05/413379305.db2.gz YQJRNOLSVZUWIK-LLVKDONJSA-N 2 0 292.383 1.177 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000363566350 159329009 /nfs/dbraw/zinc/32/90/09/159329009.db2.gz QMSYWQSFLMEBKR-INIZCTEOSA-N 2 0 293.455 1.566 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)C2([NH2+]C3CC3)CCC2)CC[N@@H+]1C ZINC000662732208 413400983 /nfs/dbraw/zinc/40/09/83/413400983.db2.gz ORFSQYRDIKBSTP-YPMHNXCESA-N 2 0 265.401 1.260 10 0 CDAERP COC[C@@H](O)C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000374876162 160323189 /nfs/dbraw/zinc/32/31/89/160323189.db2.gz NISIRPIXFOPCPM-OIISXLGYSA-N 2 0 292.423 1.494 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001665570069 1173012276 /nfs/dbraw/zinc/01/22/76/1173012276.db2.gz UFJFSISZOYZYTH-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[C@](C)([NH3+])C(=O)NCc1ccccc1C[NH2+]C ZINC000653211415 412140704 /nfs/dbraw/zinc/14/07/04/412140704.db2.gz XXUIXAFBHGYTNB-HNNXBMFYSA-N 2 0 263.385 1.540 10 0 CDAERP [NH3+]CC1(CCNC(=O)[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000653216178 412143008 /nfs/dbraw/zinc/14/30/08/412143008.db2.gz QQUAWNSHOUTAFG-AWEZNQCLSA-N 2 0 273.380 1.119 10 0 CDAERP [NH3+]C1(CC(=O)N2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)CC1 ZINC000662774328 413477483 /nfs/dbraw/zinc/47/74/83/413477483.db2.gz QPTJCKJYCASLBR-CYBMUJFWSA-N 2 0 293.798 1.694 10 0 CDAERP CN(C(=O)[C@H]1C[C@H]([NH3+])C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000662788202 413499343 /nfs/dbraw/zinc/49/93/43/413499343.db2.gz YZBJOAJNKVITSC-JYJNAYRXSA-N 2 0 287.407 1.457 10 0 CDAERP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654659392 413552444 /nfs/dbraw/zinc/55/24/44/413552444.db2.gz CNQNKWRDSJISFW-ZNMIVQPWSA-N 2 0 296.459 1.308 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)C1 ZINC000654663487 413559119 /nfs/dbraw/zinc/55/91/19/413559119.db2.gz QJOVSRBBXQORKO-IJEWVQPXSA-N 2 0 294.443 1.064 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)CC[N@@H+]1C ZINC000660859237 413588214 /nfs/dbraw/zinc/58/82/14/413588214.db2.gz XVOVSEUCEDIJRL-MCIONIFRSA-N 2 0 296.459 1.641 10 0 CDAERP CC[C@@H]1CC[C@@H]([NH3+])[C@H](N2CCC([NH+](C)C)CC2)C1 ZINC000036191831 172503728 /nfs/dbraw/zinc/50/37/28/172503728.db2.gz DLSQRLGDQBKQCJ-BPLDGKMQSA-N 2 0 253.434 1.918 10 0 CDAERP CCO[C@@H]1C[N@H+](CCCc2ccccc2)C[C@H]1C[NH3+] ZINC000405726317 413683291 /nfs/dbraw/zinc/68/32/91/413683291.db2.gz VNJLWPLUUHRMSU-HZPDHXFCSA-N 2 0 262.397 1.915 10 0 CDAERP CN(C(=O)C1([NH3+])CC2(CCC2)C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000659295867 413686019 /nfs/dbraw/zinc/68/60/19/413686019.db2.gz UMULIXLWCBHESB-ZDUSSCGKSA-N 2 0 277.412 1.343 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663003675 413800845 /nfs/dbraw/zinc/80/08/45/413800845.db2.gz MTFPRKCZCVQAKK-TZMCWYRMSA-N 2 0 267.417 1.352 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000659494175 413884990 /nfs/dbraw/zinc/88/49/90/413884990.db2.gz QWRHZFXYTKEWJW-QWHCGFSZSA-N 2 0 272.437 1.388 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000659490532 413882068 /nfs/dbraw/zinc/88/20/68/413882068.db2.gz WNOATYCWHAHSME-YMAMQOFZSA-N 2 0 296.459 1.676 10 0 CDAERP C[NH2+]C[C@H](C)NC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000659441344 413825243 /nfs/dbraw/zinc/82/52/43/413825243.db2.gz QYPJVFABAVFREK-DZGCQCFKSA-N 2 0 292.427 1.066 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N[C@@H](C)C[NH2+]C)CC1 ZINC000659447821 413833955 /nfs/dbraw/zinc/83/39/55/413833955.db2.gz XECBKDJNFVCVKP-LBPRGKRZSA-N 2 0 270.421 1.016 10 0 CDAERP CC(=O)NCc1ccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000665234314 413959702 /nfs/dbraw/zinc/95/97/02/413959702.db2.gz AUGQQBCWRJSJSY-HOTGVXAUSA-N 2 0 275.396 1.682 10 0 CDAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](CO)C1CCC1 ZINC000665234849 413964076 /nfs/dbraw/zinc/96/40/76/413964076.db2.gz KUUXCMZECZVAPN-XHDPSFHLSA-N 2 0 263.385 1.660 10 0 CDAERP FC1(F)C[C@@H]1OCC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000665243913 413975169 /nfs/dbraw/zinc/97/51/69/413975169.db2.gz AXLXPIBAXFCLHL-LPWJVIDDSA-N 2 0 290.354 1.157 10 0 CDAERP C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1)C1C[NH2+]C1 ZINC000665273524 414004567 /nfs/dbraw/zinc/00/45/67/414004567.db2.gz YPFYPKZDLBKELJ-NJZAAPMLSA-N 2 0 262.401 1.329 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2C[C@H](C)O[C@@H]2C)CC1 ZINC000665289006 414025558 /nfs/dbraw/zinc/02/55/58/414025558.db2.gz CXCNBTLJXBFGME-GZBFAFLISA-N 2 0 297.443 1.133 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659619906 414029833 /nfs/dbraw/zinc/02/98/33/414029833.db2.gz DIYQEUWISWGLOI-VXGBXAGGSA-N 2 0 258.410 1.032 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1cccc(OC)c1C ZINC000665294754 414040450 /nfs/dbraw/zinc/04/04/50/414040450.db2.gz VXQRCFSREPDAKO-AWEZNQCLSA-N 2 0 266.385 1.847 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000665299142 414043019 /nfs/dbraw/zinc/04/30/19/414043019.db2.gz HKCNXEHOPZYEQH-HOTGVXAUSA-N 3 0 283.460 1.452 10 0 CDAERP Cc1nccn1CCCN1CC[C@@H](O)C(F)(F)C1 ZINC000661408619 414065541 /nfs/dbraw/zinc/06/55/41/414065541.db2.gz LIZWUEAMWOCCAP-LLVKDONJSA-N 2 0 259.300 1.284 10 0 CDAERP C[C@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655802959 414193972 /nfs/dbraw/zinc/19/39/72/414193972.db2.gz JIKJFFAQXKRING-WCVJEAGWSA-N 2 0 297.487 1.804 10 0 CDAERP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655806532 414201929 /nfs/dbraw/zinc/20/19/29/414201929.db2.gz XXRVSMLOFGPAOM-RJZRQDKASA-N 2 0 251.418 1.399 10 0 CDAERP COCC1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000655815983 414218599 /nfs/dbraw/zinc/21/85/99/414218599.db2.gz MALCSNMKSJOFRC-BFHYXJOUSA-N 2 0 252.402 1.875 10 0 CDAERP COC[C@H](C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)OC ZINC000659974630 414315516 /nfs/dbraw/zinc/31/55/16/414315516.db2.gz OGAHTYNYQBWYHP-GJZGRUSLSA-N 2 0 270.417 1.312 10 0 CDAERP C[C@@H]1C[C@H](NCc2ccnn2-c2cc[nH+]cc2)CC[N@@H+]1C ZINC000657376157 414249788 /nfs/dbraw/zinc/24/97/88/414249788.db2.gz ORPLCWVUMHLYKA-ZIAGYGMSSA-N 2 0 285.395 1.840 10 0 CDAERP C[C@@H](CCO)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657385325 414263433 /nfs/dbraw/zinc/26/34/33/414263433.db2.gz TYAFZCCLZYEARY-LBPRGKRZSA-N 2 0 260.341 1.375 10 0 CDAERP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1cnn2c1CCC2 ZINC000657393318 414269666 /nfs/dbraw/zinc/26/96/66/414269666.db2.gz AJHUVMJAQUVWRE-BXUZGUMPSA-N 2 0 260.385 1.402 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCO[C@H](CCC[NH+](C)C)C1 ZINC000663513105 414316537 /nfs/dbraw/zinc/31/65/37/414316537.db2.gz IGSSTSKCVSDQRR-LSDHHAIUSA-N 2 0 271.449 1.402 10 0 CDAERP CC[C@@H]1C[C@@H]([NH2+]Cc2ccnc(OCC[NH+](C)C)c2)CO1 ZINC000657420150 414307122 /nfs/dbraw/zinc/30/71/22/414307122.db2.gz AYRXYNROIKGCPR-HUUCEWRRSA-N 2 0 293.411 1.679 10 0 CDAERP C[NH+](C)C1CCC([NH2+]Cc2cnn3c2CCC3)CC1 ZINC000657495335 414396022 /nfs/dbraw/zinc/39/60/22/414396022.db2.gz WDMOIUYLWBDMRH-UHFFFAOYSA-N 2 0 262.401 1.792 10 0 CDAERP CC(C)n1ccnc1C[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000657469105 414365169 /nfs/dbraw/zinc/36/51/69/414365169.db2.gz GRGGLPTXTMAPOA-LLVKDONJSA-N 2 0 259.357 1.834 10 0 CDAERP CCC1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)COC1 ZINC000657485199 414381204 /nfs/dbraw/zinc/38/12/04/414381204.db2.gz IHSCOGJMYVFFSZ-UHFFFAOYSA-N 2 0 272.352 1.784 10 0 CDAERP C([C@H]1CCCO1)[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CCCC1 ZINC000662258409 414595280 /nfs/dbraw/zinc/59/52/80/414595280.db2.gz XDRGHQZQPVUEJN-CVEARBPZSA-N 2 0 294.439 1.931 10 0 CDAERP Cc1cccc(C[NH+]2CCN(C[C@H]3C[NH2+]CCO3)CC2)c1 ZINC000662259172 414595825 /nfs/dbraw/zinc/59/58/25/414595825.db2.gz RFGIOCMQCVYCRZ-QGZVFWFLSA-N 2 0 289.423 1.101 10 0 CDAERP NC[C@H]([NH2+]C[C@H]1CCC2(C[NH2+]C2)O1)C1CCCCC1 ZINC000662276645 414606384 /nfs/dbraw/zinc/60/63/84/414606384.db2.gz KUNBXRMEQGUIIP-KGLIPLIRSA-N 2 0 267.417 1.005 10 0 CDAERP C([C@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CCOCC2(CCC2)C1 ZINC000662282657 414612043 /nfs/dbraw/zinc/61/20/43/414612043.db2.gz PQUZWEGBNQFAHO-CYBMUJFWSA-N 2 0 266.385 1.010 10 0 CDAERP FC1(F)C[C@@]12CC[N@H+](C[C@@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000662282989 414613376 /nfs/dbraw/zinc/61/33/76/414613376.db2.gz FREHANIFQZNCPJ-WDEREUQCSA-N 2 0 258.312 1.239 10 0 CDAERP C[C@@H](O)C[N@H+](Cc1cccc2c1CC[NH2+]C2)C1CC1 ZINC000662285094 414615930 /nfs/dbraw/zinc/61/59/30/414615930.db2.gz WKKRVRHEKAYYOY-GFCCVEGCSA-N 2 0 260.381 1.678 10 0 CDAERP COCC1([N@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000662299897 414624970 /nfs/dbraw/zinc/62/49/70/414624970.db2.gz YZRLBJKCPGUEHQ-UHFFFAOYSA-N 2 0 260.381 1.943 10 0 CDAERP C[C@@]12COC[C@]1(C)C[N@@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000662301066 414626036 /nfs/dbraw/zinc/62/60/36/414626036.db2.gz ABZGQQZJTGIAQW-KFWWJZLASA-N 2 0 252.402 1.735 10 0 CDAERP CC[NH+](CC)CCCN1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662321297 414637232 /nfs/dbraw/zinc/63/72/32/414637232.db2.gz AZBCDZXCSBJRIA-MRXNPFEDSA-N 2 0 285.476 1.761 10 0 CDAERP CC(C)CC[C@@H](C)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031089 174024366 /nfs/dbraw/zinc/02/43/66/174024366.db2.gz JDOSEHKYYQEMNW-CYBMUJFWSA-N 2 0 255.406 1.175 10 0 CDAERP C[C@@H]1CCCC[C@@H]1[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508068 174303201 /nfs/dbraw/zinc/30/32/01/174303201.db2.gz CRYJNJSOYDKNGJ-QLFBSQMISA-N 2 0 279.428 1.461 10 0 CDAERP CCOC1CC[NH+](Cc2ccccc2C(N)=[NH2+])CC1 ZINC000040689515 174376519 /nfs/dbraw/zinc/37/65/19/174376519.db2.gz VURNWDUQHVFFEK-UHFFFAOYSA-N 2 0 261.369 1.972 10 0 CDAERP COC(=O)c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1 ZINC000040748993 174393610 /nfs/dbraw/zinc/39/36/10/174393610.db2.gz AZNRUCMIMNDJOE-GOOCMWNKSA-N 2 0 274.364 1.927 10 0 CDAERP CC(C)c1cc(N2CCC[N@H+](CCC[NH3+])CC2)ncn1 ZINC000040765964 174397513 /nfs/dbraw/zinc/39/75/13/174397513.db2.gz ZQMRUHLVFAICJX-UHFFFAOYSA-N 2 0 277.416 1.461 10 0 CDAERP CCN([C@@H](C)COC)C1(C[NH3+])CC[NH+](CC)CC1 ZINC000042743560 174862968 /nfs/dbraw/zinc/86/29/68/174862968.db2.gz MDMZYNZASSSIHV-ZDUSSCGKSA-N 2 0 257.422 1.156 10 0 CDAERP CC[NH+]1CCN([C@@H](c2ccc(F)cc2)[C@@H](C)[NH3+])CC1 ZINC000042913082 174911515 /nfs/dbraw/zinc/91/15/15/174911515.db2.gz JNEKMJFGKPHTIK-IUODEOHRSA-N 2 0 265.376 1.852 10 0 CDAERP CC[C@@H]([NH3+])[C@@H](c1ccccn1)N1CCC([NH+](C)C)CC1 ZINC000043339426 175013604 /nfs/dbraw/zinc/01/36/04/175013604.db2.gz XVRCEASNUXICMV-ZBFHGGJFSA-N 2 0 276.428 1.886 10 0 CDAERP CC(C)[NH+]1CCN([C@H](c2ccccn2)[C@@H](C)[NH3+])CC1 ZINC000043339414 175013949 /nfs/dbraw/zinc/01/39/49/175013949.db2.gz CNHBHSACAFKCEE-HIFRSBDPSA-N 2 0 262.401 1.496 10 0 CDAERP C[C@H]([NH3+])[C@H](c1ccccn1)N1CC[NH+](CC2CC2)CC1 ZINC000043340185 175014683 /nfs/dbraw/zinc/01/46/83/175014683.db2.gz QYIBVWXFKQCKSX-XJKSGUPXSA-N 2 0 274.412 1.498 10 0 CDAERP C[NH+]1CCC(C[NH3+])(N2CCO[C@H]3CCCC[C@@H]32)CC1 ZINC000043424916 175040336 /nfs/dbraw/zinc/04/03/36/175040336.db2.gz CIWUUONLCZJJSO-KBPBESRZSA-N 2 0 267.417 1.053 10 0 CDAERP CCC[NH2+][C@@H]1CCOC[C@@H]1N1CC[NH+](CCC)CC1 ZINC000043805674 175107642 /nfs/dbraw/zinc/10/76/42/175107642.db2.gz GRUPQJILRJAXDL-CABCVRRESA-N 2 0 269.433 1.171 10 0 CDAERP C[NH2+][C@@H]1c2ccccc2OC[C@@H]1N1CC[NH+](C(C)C)CC1 ZINC000043896997 175120076 /nfs/dbraw/zinc/12/00/76/175120076.db2.gz QJXMXHWJVRVLSB-DOTOQJQBSA-N 2 0 289.423 1.734 10 0 CDAERP CCC[NH2+][C@@H]1CCC[C@@H]1N1CCC([NH+](C)C)CC1 ZINC000043897528 175120400 /nfs/dbraw/zinc/12/04/00/175120400.db2.gz QNBYFMMSWWOLLJ-CABCVRRESA-N 2 0 253.434 1.933 10 0 CDAERP CCC[NH2+][C@@H](C)[C@H](C)N(CCOC)[C@@H](C)COC ZINC000043976144 175132787 /nfs/dbraw/zinc/13/27/87/175132787.db2.gz NJRDNTPQTDXVLN-IHRRRGAJSA-N 2 0 260.422 1.746 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000044426957 175175010 /nfs/dbraw/zinc/17/50/10/175175010.db2.gz RLJAYCCEZXMIDH-MRXNPFEDSA-N 2 0 287.407 1.426 10 0 CDAERP CCN(CC)C(=O)CCC[NH+]1CCC(C[NH3+])CC1 ZINC000044514283 175189292 /nfs/dbraw/zinc/18/92/92/175189292.db2.gz QLGQDUOVDQIQTL-UHFFFAOYSA-N 2 0 255.406 1.306 10 0 CDAERP CC[NH+]1CCC(C[NH2+]Cc2c(OC)ncnc2OC)CC1 ZINC000044517705 175190608 /nfs/dbraw/zinc/19/06/08/175190608.db2.gz DLZWLMZAYMSOQI-UHFFFAOYSA-N 2 0 294.399 1.315 10 0 CDAERP C[NH+]1CCC(C[NH2+]CC(=O)N2CCCCCC2)CC1 ZINC000044518354 175190895 /nfs/dbraw/zinc/19/08/95/175190895.db2.gz UEYHAWWZRHJJII-UHFFFAOYSA-N 2 0 267.417 1.320 10 0 CDAERP CC[NH+](CC)CCNC(=O)C1(C[NH3+])CCCCCC1 ZINC000044752978 175245616 /nfs/dbraw/zinc/24/56/16/175245616.db2.gz PSNBPRURUPMCAX-UHFFFAOYSA-N 2 0 269.433 1.744 10 0 CDAERP CCC[C@H](C[NH3+])C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000044806146 175256637 /nfs/dbraw/zinc/25/66/37/175256637.db2.gz IIPHFGBRRDVBNU-CHWSQXEVSA-N 2 0 255.406 1.352 10 0 CDAERP C[C@@](CCC[NH+]1CCCCCC1)([NH2+]C1CC1)C(N)=O ZINC000045377571 175367546 /nfs/dbraw/zinc/36/75/46/175367546.db2.gz WLPCREUFEHBKKA-HNNXBMFYSA-N 2 0 267.417 1.639 10 0 CDAERP CCC[NH2+][C@@](C)(CCCN1CCC([NH+](C)C)CC1)C(N)=O ZINC000045392570 175375542 /nfs/dbraw/zinc/37/55/42/175375542.db2.gz PZQPMRLRLOHULJ-INIZCTEOSA-N 2 0 298.475 1.036 10 0 CDAERP CC[NH2+][C@](C)(CCCC[N@H+](C)[C@@H](C)C(C)C)C(N)=O ZINC000045391999 175375821 /nfs/dbraw/zinc/37/58/21/175375821.db2.gz ZYMCUVNBMHGTBQ-DZGCQCFKSA-N 2 0 271.449 1.987 10 0 CDAERP COC(=O)CC[N@H+](C)C[C@H](C[NH3+])c1ccccc1 ZINC000070941130 176015248 /nfs/dbraw/zinc/01/52/48/176015248.db2.gz HENUJEYOYBLVQF-ZDUSSCGKSA-N 2 0 250.342 1.224 10 0 CDAERP C[C@@H](CN1CCC[C@H]([NH2+]C2CC2)C1=O)C[NH+]1CCCC1 ZINC000071031254 176022415 /nfs/dbraw/zinc/02/24/15/176022415.db2.gz QGEFYDGUAWCBJO-HIFRSBDPSA-N 2 0 279.428 1.461 10 0 CDAERP Cc1ccccc1[C@@H](C[NH3+])N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188122 176062921 /nfs/dbraw/zinc/06/29/21/176062921.db2.gz MUHBAIXDKSCIFS-GDBMZVCRSA-N 2 0 261.413 1.878 10 0 CDAERP C[C@H]1CCCC[C@@]1(C[NH3+])N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188589 176063584 /nfs/dbraw/zinc/06/35/84/176063584.db2.gz VPPRBFDFOHZQFJ-ZNMIVQPWSA-N 2 0 253.434 1.778 10 0 CDAERP CC[NH2+][C@@H](CN(C)C[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC000071188916 176063668 /nfs/dbraw/zinc/06/36/68/176063668.db2.gz WMQJSDGCGMNVKX-KGLIPLIRSA-N 2 0 255.450 1.894 10 0 CDAERP C[NH2+]Cc1c(N(C)C[C@H]2CC[N@H+](C)C2)nc2sccn12 ZINC000071190078 176065979 /nfs/dbraw/zinc/06/59/79/176065979.db2.gz PGEHBOHFMSXNDG-NSHDSACASA-N 2 0 293.440 1.503 10 0 CDAERP CCN[C@](C)(CCC[N@H+](C)C[C@@H]1CC[NH+](C)C1)C(=O)OC ZINC000071190925 176067580 /nfs/dbraw/zinc/06/75/80/176067580.db2.gz RYHJMCUSKNAIMQ-GOEBONIOSA-N 2 0 299.459 1.191 10 0 CDAERP CC[NH2+]Cc1cc(N(C)C[C@@H]2CC[N@H+](C)C2)ccn1 ZINC000071191628 176069255 /nfs/dbraw/zinc/06/92/55/176069255.db2.gz ASWKQJKGDZWVTL-CYBMUJFWSA-N 2 0 262.401 1.579 10 0 CDAERP CN(C[C@H]1CC[N@H+](C)C1)c1ccc(Cl)c(C[NH3+])n1 ZINC000071191768 176072135 /nfs/dbraw/zinc/07/21/35/176072135.db2.gz IDYPJOUARGQEQL-JTQLQIEISA-N 2 0 268.792 1.582 10 0 CDAERP C[NH2+]Cc1ccoc1CN(C)C[C@H]1CC[N@H+](C)C1 ZINC000071191881 176072141 /nfs/dbraw/zinc/07/21/41/176072141.db2.gz IAQDQBBVKFOLML-LBPRGKRZSA-N 2 0 251.374 1.383 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN1CCC[C@H]([NH2+]C2CC2)C1 ZINC000071197067 176076647 /nfs/dbraw/zinc/07/66/47/176076647.db2.gz KEHJABJGFURVPD-LSDHHAIUSA-N 2 0 251.418 1.687 10 0 CDAERP [NH3+]Cc1cc(F)ccc1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000071263702 176097026 /nfs/dbraw/zinc/09/70/26/176097026.db2.gz NANHDJXTHJXMIQ-MRXNPFEDSA-N 2 0 277.387 1.955 10 0 CDAERP CC(C)(C)OC(=O)N1CC([NH2+]C2CCC([NH3+])CC2)C1 ZINC000071336019 176127759 /nfs/dbraw/zinc/12/77/59/176127759.db2.gz AAJZUXUBXOXSTB-UHFFFAOYSA-N 2 0 269.389 1.465 10 0 CDAERP C[NH2+][C@H]1CCCCC[C@H]1CN1CC[NH+](CC(C)(C)O)CC1 ZINC000071381768 176145824 /nfs/dbraw/zinc/14/58/24/176145824.db2.gz ZMJMGWIVVOQLSH-HOTGVXAUSA-N 2 0 297.487 1.543 10 0 CDAERP COc1cc(F)c([C@H](CC[NH3+])C[NH+](C)C)cc1F ZINC000076665615 177050922 /nfs/dbraw/zinc/05/09/22/177050922.db2.gz LOQOJDYAIWBSIT-SECBINFHSA-N 2 0 258.312 1.967 10 0 CDAERP C[NH+](C)CCN(Cc1ccc(Cl)cc1)C(=O)C[NH3+] ZINC000076708441 177066816 /nfs/dbraw/zinc/06/68/16/177066816.db2.gz CUJAKCZXKNGFOQ-UHFFFAOYSA-N 2 0 269.776 1.189 10 0 CDAERP CC[C@@H](CC[NH3+])CCC(=O)NCC(C)(C)C[NH+](C)C ZINC000079206379 177445333 /nfs/dbraw/zinc/44/53/33/177445333.db2.gz BMYRIEDPDQOTTR-CYBMUJFWSA-N 2 0 271.449 1.846 10 0 CDAERP c1cnc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cn1 ZINC000390255876 262167126 /nfs/dbraw/zinc/16/71/26/262167126.db2.gz XKDASICNJMTZML-ARFHVFGLSA-N 2 0 274.412 1.920 10 0 CDAERP CC(C)([NH2+]C[C@H]1CCC2(C[NH2+]C2)O1)c1nccs1 ZINC000662261739 423805186 /nfs/dbraw/zinc/80/51/86/423805186.db2.gz AJYYQRNODZMUNX-SNVBAGLBSA-N 2 0 267.398 1.489 10 0 CDAERP [NH3+]Cc1ccc(C(=O)NCCC2CC[NH2+]CC2)cc1 ZINC000653267180 423959622 /nfs/dbraw/zinc/95/96/22/423959622.db2.gz LZFDGMLYMYAWAV-UHFFFAOYSA-N 2 0 261.369 1.265 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N(CC)[C@H]1CC[NH+](CC)C1 ZINC000663940964 424065767 /nfs/dbraw/zinc/06/57/67/424065767.db2.gz HWWIJIWUGSUKKW-GJZGRUSLSA-N 2 0 298.475 1.842 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000652206231 424030208 /nfs/dbraw/zinc/03/02/08/424030208.db2.gz AKQPMLUBWBBPJR-ZDUSSCGKSA-N 2 0 270.421 1.016 10 0 CDAERP [NH3+]C1CCC(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000130877937 424035587 /nfs/dbraw/zinc/03/55/87/424035587.db2.gz QUJCQNPEDBXMNH-NWINJMCUSA-N 2 0 265.401 1.247 10 0 CDAERP CN(C(=O)NCCC1CC[NH2+]CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000652313406 424222526 /nfs/dbraw/zinc/22/25/26/424222526.db2.gz UGIBSQPGLYTWSD-HNNXBMFYSA-N 2 0 294.443 1.254 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)COC2CCC([NH3+])CC2)C1 ZINC000662621121 424240197 /nfs/dbraw/zinc/24/01/97/424240197.db2.gz DUYAVBUJZWAVAT-MOKVOYLWSA-N 2 0 297.443 1.262 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC[C@]2(O)CCCOC2)[C@H]2CCC[C@@H]21 ZINC000652326892 424243629 /nfs/dbraw/zinc/24/36/29/424243629.db2.gz OQBAZZCERIJGHE-FXUDXRNXSA-N 2 0 282.428 1.380 10 0 CDAERP CC(C)[NH+](CCNC(=O)C1([NH3+])CC2(CCC2)C1)C(C)C ZINC000662660787 424286333 /nfs/dbraw/zinc/28/63/33/424286333.db2.gz GUCVEQZQDAINFD-UHFFFAOYSA-N 2 0 281.444 1.883 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1[NH2+]CCC1(C)C)C1CCCCC1 ZINC000662681037 424303926 /nfs/dbraw/zinc/30/39/26/424303926.db2.gz SEQUOFCXJVLGHN-AWEZNQCLSA-N 2 0 281.444 1.755 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)[C@@H]2CCC[NH2+]CC2)CC1 ZINC000653148977 424378053 /nfs/dbraw/zinc/37/80/53/424378053.db2.gz RXMCDHKEGBJLHT-SHARSMKWSA-N 2 0 281.444 1.613 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)CC2([NH3+])CC2)CC1 ZINC000662690463 424321253 /nfs/dbraw/zinc/32/12/53/424321253.db2.gz AAHYBDDGHGSSHB-UHFFFAOYSA-N 2 0 253.390 1.106 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC(CC[NH3+])CC1 ZINC000659618702 424412907 /nfs/dbraw/zinc/41/29/07/424412907.db2.gz JXATZVUHCJJHRS-CYBMUJFWSA-N 2 0 270.421 1.130 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000665274844 424486721 /nfs/dbraw/zinc/48/67/21/424486721.db2.gz ZOYSFWKQFNSQFL-GBJTYRQASA-N 2 0 281.444 1.345 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000655489180 424503770 /nfs/dbraw/zinc/50/37/70/424503770.db2.gz MVJAOFKPJHNGOI-UHOFOFEASA-N 2 0 287.407 1.157 10 0 CDAERP CC(C)C[C@@H](C[NH2+]CCF)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001667091452 1173233760 /nfs/dbraw/zinc/23/37/60/1173233760.db2.gz AGBJSIXHRUTMPR-UONOGXRCSA-N 2 0 287.423 1.561 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CC[C@H](C)SC1)CN1CC[NH+](C)CC1 ZINC000655709434 424461358 /nfs/dbraw/zinc/46/13/58/424461358.db2.gz ZUKUBLLZISKOFW-QLFBSQMISA-N 2 0 285.501 1.744 10 0 CDAERP CN(CC[N@H+](C)C1CCCCC1)C(=O)CC1([NH3+])CC1 ZINC000662788902 424471269 /nfs/dbraw/zinc/47/12/69/424471269.db2.gz WQOLBHWCKFKLKF-UHFFFAOYSA-N 2 0 267.417 1.591 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cc(C(C)(C)[NH3+])no2)C1 ZINC000662854700 424530109 /nfs/dbraw/zinc/53/01/09/424530109.db2.gz UEWGVYBKXOEPHV-JTQLQIEISA-N 2 0 294.399 1.471 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662926028 424562423 /nfs/dbraw/zinc/56/24/23/424562423.db2.gz OBAARCHZDWCKKK-LLVKDONJSA-N 2 0 253.390 1.138 10 0 CDAERP COc1cccc([C@@H](C)[N@H+](C)CCN2CC[NH2+]CC2)c1 ZINC000071148594 424653083 /nfs/dbraw/zinc/65/30/83/424653083.db2.gz LBNIROROMPBMQY-CQSZACIVSA-N 2 0 277.412 1.593 10 0 CDAERP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C1(C)C ZINC000530178829 271131917 /nfs/dbraw/zinc/13/19/17/271131917.db2.gz OIHPXCBVRQLFCI-MROQNXINSA-N 2 0 252.402 1.920 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CC[NH+](CC2CCOCC2)CC1 ZINC000414696402 275916142 /nfs/dbraw/zinc/91/61/42/275916142.db2.gz PHBRINIZZHUDAX-INIZCTEOSA-N 2 0 283.460 1.404 10 0 CDAERP CC1(C)CN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC[C@@H]1[NH3+] ZINC000261649341 276126936 /nfs/dbraw/zinc/12/69/36/276126936.db2.gz AJFKJJVVHHPYAI-CABCVRRESA-N 2 0 287.407 1.287 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@H]21 ZINC000353448782 276373656 /nfs/dbraw/zinc/37/36/56/276373656.db2.gz PLHTVSKHVYEELG-QKPAOTATSA-N 2 0 265.445 1.933 10 0 CDAERP CCc1ccc([C@@H](CNC(=O)NCCC[NH3+])[NH+](C)C)cc1 ZINC000416847291 276670110 /nfs/dbraw/zinc/67/01/10/276670110.db2.gz VGGQXRCMBYLXPF-OAHLLOKOSA-N 2 0 292.427 1.500 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H](O)C2)[C@H]2CCC[C@@H]21 ZINC000353515875 277171543 /nfs/dbraw/zinc/17/15/43/277171543.db2.gz FZWPTFQZFFVWNM-LEOABGAYSA-N 2 0 266.429 2.000 10 0 CDAERP C[C@@H]1C[C@H](CN2CC[N@@H+]3CCCC[C@H]3C2)CC[NH2+]1 ZINC000261590395 278011783 /nfs/dbraw/zinc/01/17/83/278011783.db2.gz WYWYVDFJKUUPFH-KFWWJZLASA-N 2 0 251.418 1.545 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000232925029 278222719 /nfs/dbraw/zinc/22/27/19/278222719.db2.gz POXPZNUWUKPKIN-CABCVRRESA-N 2 0 293.455 1.851 10 0 CDAERP CC(C)(C)OC(=O)N(CCC[NH3+])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000058040364 278377365 /nfs/dbraw/zinc/37/73/65/278377365.db2.gz LPIZICTUTLQYPP-ZDUSSCGKSA-N 2 0 283.416 1.809 10 0 CDAERP CC(C)(C)OC(=O)NC1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000058827409 278425448 /nfs/dbraw/zinc/42/54/48/278425448.db2.gz YAEOHBKOSXIWDG-ZDUSSCGKSA-N 2 0 297.443 1.975 10 0 CDAERP CCCC[C@@H](C[NH3+])NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000418452333 278723984 /nfs/dbraw/zinc/72/39/84/278723984.db2.gz XJPCAKHHEGWNGM-ZFWWWQNUSA-N 2 0 282.432 1.289 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000457708773 279158326 /nfs/dbraw/zinc/15/83/26/279158326.db2.gz MDMJXXGDPRICRN-CABCVRRESA-N 2 0 298.475 1.748 10 0 CDAERP O=C(C[C@@H]1CCC[NH2+]C1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000054307975 279184527 /nfs/dbraw/zinc/18/45/27/279184527.db2.gz APPYKDCKIBLVOG-KBPBESRZSA-N 2 0 265.401 1.073 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000108557014 279308369 /nfs/dbraw/zinc/30/83/69/279308369.db2.gz IRQZWAGUTPEDHB-LSDHHAIUSA-N 2 0 298.475 1.604 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](C)[NH+](C)C2CC2)C1 ZINC000105174321 279320372 /nfs/dbraw/zinc/32/03/72/279320372.db2.gz IQWBQYWNMPHYAQ-OLZOCXBDSA-N 2 0 282.432 1.253 10 0 CDAERP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423261560 288132538 /nfs/dbraw/zinc/13/25/38/288132538.db2.gz SLMWGTSIJTWXOC-VNHYZAJKSA-N 2 0 251.418 1.448 10 0 CDAERP CCOC(=O)CCC[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000245442987 280209159 /nfs/dbraw/zinc/20/91/59/280209159.db2.gz WSWMBYJCRCOLKN-UONOGXRCSA-N 2 0 270.417 1.992 10 0 CDAERP CCN(CC[NH2+]C(C)C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001668431242 1173413465 /nfs/dbraw/zinc/41/34/65/1173413465.db2.gz XMNPZFZXDAVEEF-AWEZNQCLSA-N 2 0 267.417 1.175 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000252792367 288312491 /nfs/dbraw/zinc/31/24/91/288312491.db2.gz VKECQJIDTMEISG-WBMJQRKESA-N 2 0 285.391 1.599 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000417533538 288321543 /nfs/dbraw/zinc/32/15/43/288321543.db2.gz MWZAAGGJHXZRCZ-QPSCCSFWSA-N 2 0 296.459 1.547 10 0 CDAERP CCN(CC[NH2+]Cc1cc(C)ns1)C(=O)CC[NH+](C)C ZINC001668542578 1173425658 /nfs/dbraw/zinc/42/56/58/1173425658.db2.gz RQJQAMHVIXCVPH-UHFFFAOYSA-N 2 0 298.456 1.341 10 0 CDAERP C[C@@]1(C(=O)NCCC[NH+]2CCCCC2)CCCC[NH2+]1 ZINC000136196184 289140026 /nfs/dbraw/zinc/14/00/26/289140026.db2.gz YJFDZIRYEFOGDS-HNNXBMFYSA-N 2 0 267.417 1.511 10 0 CDAERP C[C@H](C(=O)N1CC[N@@H+]2CCC[C@H]2C1)[NH+]1CCCCCC1 ZINC000252465353 289287951 /nfs/dbraw/zinc/28/79/51/289287951.db2.gz PZNRNTZGMGNUPZ-CABCVRRESA-N 2 0 279.428 1.558 10 0 CDAERP C[C@H](N[C@@H](Cc1ccccc1)C[NH+](C)C)C1C[NH2+]C1 ZINC000422716095 289997724 /nfs/dbraw/zinc/99/77/24/289997724.db2.gz MWVINFSLHFTGKV-BBRMVZONSA-N 2 0 261.413 1.357 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NCc2ccc(N(C)C)nc2)C1 ZINC000552967330 290087170 /nfs/dbraw/zinc/08/71/70/290087170.db2.gz MJPNHIJRRFDSAQ-LBPRGKRZSA-N 2 0 276.384 1.106 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NCCC[NH+]2CCCCC2)C1 ZINC000553209326 290103184 /nfs/dbraw/zinc/10/31/84/290103184.db2.gz ZOUGHTSRVUJZFY-AWEZNQCLSA-N 2 0 267.417 1.320 10 0 CDAERP CC(C)[NH+]1CCN(CCC[NH+]2[C@@H](C)C[C@@H]2C)CC1 ZINC000554556443 290174462 /nfs/dbraw/zinc/17/44/62/290174462.db2.gz JZMRZYJXSGIMSC-GJZGRUSLSA-N 2 0 253.434 1.885 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCC2=CC[NH2+]CC2)[C@H]2CCC[C@H]21 ZINC000423539696 290216974 /nfs/dbraw/zinc/21/69/74/290216974.db2.gz PCFRIFFAYNEGAY-OWCLPIDISA-N 3 0 263.429 1.759 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CC1(N(C)C)CCCC1 ZINC000234713156 292804416 /nfs/dbraw/zinc/80/44/16/292804416.db2.gz AVBXKSJTBNWPGK-CYBMUJFWSA-N 2 0 257.422 1.204 10 0 CDAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C1(CCF)CC1 ZINC000562149730 293114717 /nfs/dbraw/zinc/11/47/17/293114717.db2.gz GNTHXIABFNKXFK-UHFFFAOYSA-N 2 0 273.396 1.078 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NC[C@@H]([NH3+])c2ccccc2)CC[NH2+]1 ZINC000563100183 293274478 /nfs/dbraw/zinc/27/44/78/293274478.db2.gz UBMMNGIKOXGACI-FPMFFAJLSA-N 2 0 261.369 1.191 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000568372694 294022398 /nfs/dbraw/zinc/02/23/98/294022398.db2.gz IFRZWEYTNUYMDS-OTVXOJSOSA-N 2 0 272.352 1.579 10 0 CDAERP CO[C@H](C)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001668819958 1173470340 /nfs/dbraw/zinc/47/03/40/1173470340.db2.gz ABUXOFWLRXWUQV-JGUVHBTRSA-N 2 0 297.443 1.156 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1COc2ccccc2O1)[C@H]1CCC[NH2+]C1 ZINC000574868594 295066036 /nfs/dbraw/zinc/06/60/36/295066036.db2.gz FOMFPYLUJVRYEU-MELADBBJSA-N 2 0 276.380 1.804 10 0 CDAERP [NH3+]Cc1ccc2c(c1)CCCN2C(=O)[C@@H]1CCC[NH2+]C1 ZINC000361762180 295278928 /nfs/dbraw/zinc/27/89/28/295278928.db2.gz HVJPTJLVJJAKFC-CQSZACIVSA-N 2 0 273.380 1.424 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000361724706 295306323 /nfs/dbraw/zinc/30/63/23/295306323.db2.gz AFBMMFSBVNOJBB-QLFBSQMISA-N 2 0 279.428 1.591 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000423397265 297107834 /nfs/dbraw/zinc/10/78/34/297107834.db2.gz OHMHQUBKZPVKJX-GZBLMMOJSA-N 2 0 251.418 1.447 10 0 CDAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1CCC1CC[NH2+]CC1 ZINC000251669472 300319399 /nfs/dbraw/zinc/31/93/99/300319399.db2.gz HGUXHMTXXGMPCS-ZFWWWQNUSA-N 2 0 251.418 1.545 10 0 CDAERP CCCCC[N@H+](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001669872457 1173622960 /nfs/dbraw/zinc/62/29/60/1173622960.db2.gz FUBNPZICGQGETN-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CNC[C@@H]1CCC[NH2+]1 ZINC000563422100 316305213 /nfs/dbraw/zinc/30/52/13/316305213.db2.gz GVMUXPKGDUZDGR-AWEZNQCLSA-N 2 0 271.368 1.417 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000566849022 316689060 /nfs/dbraw/zinc/68/90/60/316689060.db2.gz MYUYYAXVTODDJK-UHFFFAOYSA-N 2 0 283.460 1.909 10 0 CDAERP CC[NH2+]Cc1ccccc1NC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000569576434 316806258 /nfs/dbraw/zinc/80/62/58/316806258.db2.gz RLAKCMSPIHDDSV-DGCLKSJQSA-N 2 0 261.369 1.733 10 0 CDAERP C[C@@H](NC(=O)c1ccc(C[NH3+])cc1)[C@@H]1CCC[NH2+]C1 ZINC000571918920 316940728 /nfs/dbraw/zinc/94/07/28/316940728.db2.gz RLSXZKWDDQXIAV-BXUZGUMPSA-N 2 0 261.369 1.263 10 0 CDAERP CC(C)OC[C@H](O)C[NH2+]Cc1ccc(CC[NH+](C)C)cc1 ZINC000575917152 317037904 /nfs/dbraw/zinc/03/79/04/317037904.db2.gz KQRUGAGTSIHPSM-QGZVFWFLSA-N 2 0 294.439 1.666 10 0 CDAERP CC[NH2+]CCCNC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000577712190 317386026 /nfs/dbraw/zinc/38/60/26/317386026.db2.gz BAWRQNOZFHHRLZ-OKILXGFUSA-N 2 0 284.448 1.548 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000185465989 323389728 /nfs/dbraw/zinc/38/97/28/323389728.db2.gz INGMPNHBVPYDSJ-ZDUSSCGKSA-N 2 0 282.432 1.064 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)NCC1=CC[NH2+]CC1 ZINC000580192908 324396498 /nfs/dbraw/zinc/39/64/98/324396498.db2.gz QJINTDWKCVKGOX-CQSZACIVSA-N 2 0 265.401 1.287 10 0 CDAERP C[C@@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)[NH+]1CCCC1 ZINC000582956945 325076544 /nfs/dbraw/zinc/07/65/44/325076544.db2.gz XTUXRAOVPARPOO-GJZGRUSLSA-N 2 0 281.444 1.851 10 0 CDAERP C1CC1C([NH2+]C1CCC([NH+]2CCNCC2)CC1)C1CC1 ZINC000583687670 325220782 /nfs/dbraw/zinc/22/07/82/325220782.db2.gz HDHWCMQXIRZKRT-UHFFFAOYSA-N 2 0 277.456 1.981 10 0 CDAERP CC[NH+]1CCC(CNC(=O)N2CC[NH+]3CCC2CC3)CC1 ZINC000584008918 325286008 /nfs/dbraw/zinc/28/60/08/325286008.db2.gz OKASXDYWMIREPL-UHFFFAOYSA-N 2 0 294.443 1.208 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000584212403 327067980 /nfs/dbraw/zinc/06/79/80/327067980.db2.gz XMABVSJTLBEZHI-CQSZACIVSA-N 2 0 298.475 1.700 10 0 CDAERP [NH3+]CCCCNC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000250838330 1159301821 /nfs/dbraw/zinc/30/18/21/1159301821.db2.gz LJABSDWAGNQVRZ-XQQFMLRXSA-N 2 0 253.390 1.152 10 0 CDAERP CC[NH2+]CCCCCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001691451915 1159311085 /nfs/dbraw/zinc/31/10/85/1159311085.db2.gz VEVMDKXDHYCMGO-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[N@H+](C)CCOCCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001692303625 1159322077 /nfs/dbraw/zinc/32/20/77/1159322077.db2.gz KHLMROKILPUVJK-OAHLLOKOSA-N 2 0 299.459 1.288 10 0 CDAERP CC[C@@H](C[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@@H+]1C)OC ZINC001699198331 1159330105 /nfs/dbraw/zinc/33/01/05/1159330105.db2.gz FGXQJVGLOVYNTB-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP CCC[NH2+]CCN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001691476140 1159335237 /nfs/dbraw/zinc/33/52/37/1159335237.db2.gz DUPXNEPLEFANKX-UHFFFAOYSA-N 2 0 257.422 1.422 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001481064308 1159511401 /nfs/dbraw/zinc/51/14/01/1159511401.db2.gz HPGINMHNEQOPRT-KBPBESRZSA-N 2 0 267.417 1.317 10 0 CDAERP C[NH+](C)CCc1cccc(C(=O)N2CCC[N@H+](C)CC2)c1 ZINC001361741394 1159970594 /nfs/dbraw/zinc/97/05/94/1159970594.db2.gz NAXZNVURWLARLP-UHFFFAOYSA-N 2 0 289.423 1.568 10 0 CDAERP CC(C)[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC001482550914 1160378240 /nfs/dbraw/zinc/37/82/40/1160378240.db2.gz UUHNTHIJRPYWPY-SOUVJXGZSA-N 2 0 283.460 1.856 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000417301899 482580997 /nfs/dbraw/zinc/58/09/97/482580997.db2.gz QFEKBCYTDXZILS-KBPBESRZSA-N 2 0 284.448 1.406 10 0 CDAERP C[C@H]([NH2+]C1CCN(C(=O)C(C)(C)C)CC1)[C@H]1CC[NH2+]C1 ZINC000400721496 482598466 /nfs/dbraw/zinc/59/84/66/482598466.db2.gz OPZMGZLBVWLSKT-STQMWFEESA-N 2 0 281.444 1.611 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000669540667 482624640 /nfs/dbraw/zinc/62/46/40/482624640.db2.gz AAOAGYLJOFJWJQ-NRXISQOPSA-N 2 0 296.459 1.548 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000417943854 482644590 /nfs/dbraw/zinc/64/45/90/482644590.db2.gz VLIOXQMFDWBRBR-OOJKYFRXSA-N 2 0 296.459 1.676 10 0 CDAERP CCN1CC[NH+](CCCC[NH2+][C@H]2CCC[C@@H](OC)C2)CC1 ZINC000684368617 482776433 /nfs/dbraw/zinc/77/64/33/482776433.db2.gz BWYYGSCPCURPEB-DLBZAZTESA-N 2 0 297.487 1.951 10 0 CDAERP [NH3+]C/C=C/CNC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000669578461 482795182 /nfs/dbraw/zinc/79/51/82/482795182.db2.gz JYZLWYOCMURKMS-RGDDUWESSA-N 2 0 294.443 1.598 10 0 CDAERP COC[C@@H](CC1CCOCC1)[NH2+][C@@H]1CCN(CC2CC2)C1 ZINC000657875162 482908399 /nfs/dbraw/zinc/90/83/99/482908399.db2.gz ATMIUDZKAZGRDG-IAGOWNOFSA-N 2 0 296.455 1.892 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC[NH+](C)C2)C[C@H]1C ZINC000674028823 482926776 /nfs/dbraw/zinc/92/67/76/482926776.db2.gz LPUNWSVJGWMGAR-KFWWJZLASA-N 2 0 296.459 1.595 10 0 CDAERP C[NH+](C)CCCOc1ccc(NC(=O)NCCC[NH3+])cc1 ZINC000667084340 483085915 /nfs/dbraw/zinc/08/59/15/483085915.db2.gz POVBVVHXAXXMRZ-UHFFFAOYSA-N 2 0 294.399 1.487 10 0 CDAERP CCC[NH2+]CCNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000667148553 483110970 /nfs/dbraw/zinc/11/09/70/483110970.db2.gz AHBSXGJJMMGBEA-UHFFFAOYSA-N 2 0 288.355 1.388 10 0 CDAERP CN(CC1([NH+](C)C)CCC1)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000682089371 483132961 /nfs/dbraw/zinc/13/29/61/483132961.db2.gz NKQOQBNNVIITSB-CYBMUJFWSA-N 2 0 282.432 1.206 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCC[NH2+]C1CC1 ZINC000669469246 483180534 /nfs/dbraw/zinc/18/05/34/483180534.db2.gz IHEXEBDIKBXUCP-CHWSQXEVSA-N 2 0 282.432 1.301 10 0 CDAERP Cn1c2ccc(C[NH2+][C@H]3CCC[C@H]([NH3+])C3)cc2sc1=O ZINC000666853946 483185150 /nfs/dbraw/zinc/18/51/50/483185150.db2.gz RWHALFBFENWBBO-RYUDHWBXSA-N 2 0 291.420 1.960 10 0 CDAERP [NH3+][C@H]1CCC[C@H]([NH2+]CCN2C(=O)c3ccccc3C2=O)C1 ZINC000414923242 483294474 /nfs/dbraw/zinc/29/44/74/483294474.db2.gz IBKDTFTVHKCLKQ-RYUDHWBXSA-N 2 0 287.363 1.142 10 0 CDAERP Cn1cncc1CCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000315028176 483303796 /nfs/dbraw/zinc/30/37/96/483303796.db2.gz GJUFYCORNDCRLS-ZBFHGGJFSA-N 2 0 276.428 1.817 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)NCc2ccn3ccnc3c2)C1 ZINC000675554555 483330600 /nfs/dbraw/zinc/33/06/00/483330600.db2.gz OGLRYIGHTNPGJU-CYBMUJFWSA-N 2 0 287.367 1.228 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)C[C@H]([NH3+])C(C)C ZINC000136318562 483389814 /nfs/dbraw/zinc/38/98/14/483389814.db2.gz RJMOAPTUOVHFHL-OLZOCXBDSA-N 2 0 257.422 1.452 10 0 CDAERP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2CSC2)CC1 ZINC000679625989 483396082 /nfs/dbraw/zinc/39/60/82/483396082.db2.gz KIZQIFIZDFKFFE-KGLIPLIRSA-N 2 0 270.442 1.459 10 0 CDAERP O=C1NCC[C@@H]1[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000676240244 483448044 /nfs/dbraw/zinc/44/80/44/483448044.db2.gz IWUQHXJLXKHGDA-HNNXBMFYSA-N 2 0 279.428 1.463 10 0 CDAERP CCC[NH2+]CCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001691623418 1160721910 /nfs/dbraw/zinc/72/19/10/1160721910.db2.gz WPTXGAJCZKNJFG-UHFFFAOYSA-N 2 0 255.406 1.320 10 0 CDAERP CC(C)CN(CC[NH+](C)C)c1ccnc(C(N)=[NH2+])c1 ZINC000061814305 519716609 /nfs/dbraw/zinc/71/66/09/519716609.db2.gz HWFUFFZQGRGZCB-UHFFFAOYSA-N 2 0 263.389 1.390 10 0 CDAERP CC(C)C[NH2+]C[C@H](C)CN(C)C1CC[NH+](C)CC1 ZINC000052419805 519745864 /nfs/dbraw/zinc/74/58/64/519745864.db2.gz RSEYZUGWYVCLOJ-AWEZNQCLSA-N 2 0 255.450 1.894 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000049220793 519793311 /nfs/dbraw/zinc/79/33/11/519793311.db2.gz AIQGKBNIPXNMHG-BYNSBNAKSA-N 2 0 281.444 1.610 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000061612872 519814115 /nfs/dbraw/zinc/81/41/15/519814115.db2.gz LQOGEFRCZKGFSK-GJZGRUSLSA-N 2 0 277.412 1.431 10 0 CDAERP CCC[NH2+]Cc1cn(CC[N@H+](CC)[C@H](C)COC)nn1 ZINC000052504872 519961825 /nfs/dbraw/zinc/96/18/25/519961825.db2.gz XXYNDGKRYXCAGC-CYBMUJFWSA-N 2 0 283.420 1.135 10 0 CDAERP CCCN(CC[NH+](C)C)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052183228 521657051 /nfs/dbraw/zinc/65/70/51/521657051.db2.gz HZDYZNQXEXGRQF-UHFFFAOYSA-N 2 0 297.487 1.809 10 0 CDAERP CCC[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001714781968 1179394267 /nfs/dbraw/zinc/39/42/67/1179394267.db2.gz ZAYYFMLMUUCCKW-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]C(C)C ZINC001715061150 1179534786 /nfs/dbraw/zinc/53/47/86/1179534786.db2.gz QFLOZGYNTWYYBP-KGLIPLIRSA-N 2 0 269.433 1.754 10 0 CDAERP CCCCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001715946378 1179935378 /nfs/dbraw/zinc/93/53/78/1179935378.db2.gz ZNVLQHCBZSHFPG-KGLIPLIRSA-N 2 0 269.433 1.755 10 0 CDAERP C[NH2+]Cc1sc(N2CCC[C@@H]2C[NH+](C)C)nc1C ZINC000061655585 522168090 /nfs/dbraw/zinc/16/80/90/522168090.db2.gz VBMANJCYWMMXRC-LLVKDONJSA-N 2 0 268.430 1.701 10 0 CDAERP CN[C@@](C)(C[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1)C(=O)OC ZINC000068632238 522416910 /nfs/dbraw/zinc/41/69/10/522416910.db2.gz LNVBOLODAXPDHF-CJNGLKHVSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)(C)[NH+]1CCN([C@H](C[NH3+])c2cccnc2)CC1 ZINC000048927046 518714214 /nfs/dbraw/zinc/71/42/14/518714214.db2.gz DGPWUYZFPFBKND-CQSZACIVSA-N 2 0 262.401 1.498 10 0 CDAERP CC(C)C[C@](C)(C[NH3+])N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062940367 519423294 /nfs/dbraw/zinc/42/32/94/519423294.db2.gz BHHBBSKOWFJYBT-HUUCEWRRSA-N 2 0 253.434 1.920 10 0 CDAERP CC(C)[NH+](CCNC(=O)[C@H]1CC[C@@H](C)[C@@H]([NH3+])C1)C(C)C ZINC000055124987 519647506 /nfs/dbraw/zinc/64/75/06/519647506.db2.gz UJGOIYRXJKKVDA-ILXRZTDVSA-N 2 0 283.460 1.985 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)CC[C@@H]2CCCC[NH2+]2)CC1 ZINC000050944860 519670998 /nfs/dbraw/zinc/67/09/98/519670998.db2.gz SNGKNXXUJIWGRC-AWEZNQCLSA-N 2 0 281.444 1.898 10 0 CDAERP CC(C)[NH2+]C[C@H]1CC[C@H](C[NH+]2CCN(C3CC3)CC2)O1 ZINC000052371397 519725670 /nfs/dbraw/zinc/72/56/70/519725670.db2.gz SQJOLCNJCXJZDW-HZPDHXFCSA-N 2 0 281.444 1.312 10 0 CDAERP CC(C)C[NH+]1CCN([C@@H](c2cccnc2)[C@H](C)[NH3+])CC1 ZINC000055077467 519727303 /nfs/dbraw/zinc/72/73/03/519727303.db2.gz WSIBRQBSLXSQFG-GOEBONIOSA-N 2 0 276.428 1.744 10 0 CDAERP CC(C)C[NH+]1CCN([C@H]2COc3ccccc3[C@@H]2[NH3+])CC1 ZINC000055078879 519728624 /nfs/dbraw/zinc/72/86/24/519728624.db2.gz OQCDPCCNBPYAAK-RDJZCZTQSA-N 2 0 289.423 1.721 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000049560229 519775392 /nfs/dbraw/zinc/77/53/92/519775392.db2.gz XPVUGBOMTJTQMA-RDBSUJKOSA-N 2 0 269.433 1.467 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)COc1ccc(C[NH3+])cc1 ZINC000049192219 519793168 /nfs/dbraw/zinc/79/31/68/519793168.db2.gz WGGUOCOAHYTADL-OAHLLOKOSA-N 2 0 293.411 1.227 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000061612871 519793404 /nfs/dbraw/zinc/79/34/04/519793404.db2.gz LQOGEFRCZKGFSK-LSDHHAIUSA-N 2 0 277.412 1.431 10 0 CDAERP CC(C)[C@@H]1C[NH2+][C@@H](C(C)C)CN1CCC[NH+](C)C ZINC000062626063 519804758 /nfs/dbraw/zinc/80/47/58/519804758.db2.gz RXMSQPQUMDOQGU-CABCVRRESA-N 2 0 255.450 1.893 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)[C@@H]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC000055139145 519814203 /nfs/dbraw/zinc/81/42/03/519814203.db2.gz PZQJXPFCVFFEHV-MQYQWHSLSA-N 2 0 269.433 1.452 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@@H](CN2CC[NH+](CC(C)C)CC2)O1 ZINC000055082808 519923657 /nfs/dbraw/zinc/92/36/57/519923657.db2.gz PFBSAKRCARYZFC-IRXDYDNUSA-N 2 0 297.487 1.807 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@@H](CN2CC[NH+](CC)CC2)O1 ZINC000052422494 519924536 /nfs/dbraw/zinc/92/45/36/519924536.db2.gz AQKIDZLNLQPIPG-GJZGRUSLSA-N 2 0 269.433 1.171 10 0 CDAERP CC[NH2+]C[C@@]1(CN2CC[C@H]([NH+]3CCCCC3)C2)CCOC1 ZINC000062970614 519957322 /nfs/dbraw/zinc/95/73/22/519957322.db2.gz SBUYYHPSWXIJSO-DLBZAZTESA-N 2 0 295.471 1.563 10 0 CDAERP CCC[NH2+]Cc1cn(CCN(CCC)CC[NH+](C)C)nn1 ZINC000052544207 519962512 /nfs/dbraw/zinc/96/25/12/519962512.db2.gz RYCPPTDXRWNDPF-UHFFFAOYSA-N 2 0 296.463 1.051 10 0 CDAERP CCC[NH2+][C@@H](C)C1CC[NH+](C[C@H](O)COCC)CC1 ZINC000069274299 519985058 /nfs/dbraw/zinc/98/50/58/519985058.db2.gz QMEYAXTZTIXICF-ZFWWWQNUSA-N 2 0 272.433 1.484 10 0 CDAERP CC[NH2+]Cc1cn(CC[N@@H+]2CCC[C@H](C)[C@@H]2C)nn1 ZINC000052373362 520013748 /nfs/dbraw/zinc/01/37/48/520013748.db2.gz RDEIXHODJAVGDB-STQMWFEESA-N 2 0 265.405 1.508 10 0 CDAERP CC[NH2+]Cc1cn(CC[NH+]2CCCCCC2)nn1 ZINC000052381936 520013839 /nfs/dbraw/zinc/01/38/39/520013839.db2.gz QFMKNYVRZCAQOB-UHFFFAOYSA-N 2 0 251.378 1.264 10 0 CDAERP CCC[NH2+][C@@](C)(C[C@H](C)N1CC[N@H+](C)C(C)(C)C1)C(N)=O ZINC000068646844 520044807 /nfs/dbraw/zinc/04/48/07/520044807.db2.gz KVZMQQMBZXNGQJ-BBRMVZONSA-N 2 0 298.475 1.035 10 0 CDAERP CCC[NH2+][C@H](C)C[C@@H](C)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000068655051 520063597 /nfs/dbraw/zinc/06/35/97/520063597.db2.gz VSNLKCKOOQAADV-OAGGEKHMSA-N 2 0 283.460 1.560 10 0 CDAERP CCC[NH2+][C@H](CN1CC[NH+](CCC)CC1)C1CC1 ZINC000069073476 520083406 /nfs/dbraw/zinc/08/34/06/520083406.db2.gz BMTRONUPMXYFQO-OAHLLOKOSA-N 2 0 253.434 1.792 10 0 CDAERP CC[NH2+][C@@H](CN1CC[C@H]([NH+]2CCCCC2)C1)C1CC1 ZINC000069075468 520099460 /nfs/dbraw/zinc/09/94/60/520099460.db2.gz FGAIBEHGAPCCGS-HOTGVXAUSA-N 2 0 265.445 1.935 10 0 CDAERP CC[NH+](CC)CCC[C@@H](C)NC(=O)C(C)(C)[NH2+]C ZINC000061300146 520625877 /nfs/dbraw/zinc/62/58/77/520625877.db2.gz GNHANKFFAISDPU-GFCCVEGCSA-N 2 0 257.422 1.611 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050951999 520729354 /nfs/dbraw/zinc/72/93/54/520729354.db2.gz MEQHJUGUYMEQFM-UONOGXRCSA-N 2 0 269.433 1.755 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000340930394 520855115 /nfs/dbraw/zinc/85/51/15/520855115.db2.gz ABDIGHSSTVHVKI-BFHYXJOUSA-N 2 0 284.448 1.499 10 0 CDAERP CCC(CC)(C[NH3+])C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000236669170 521423243 /nfs/dbraw/zinc/42/32/43/521423243.db2.gz HPXDHIZJZLDKCS-LBPRGKRZSA-N 2 0 255.406 1.257 10 0 CDAERP CC[NH+]1CCN(C[C@H]2CC[C@H](C[NH2+]C(C)(C)C)O2)CC1 ZINC000052422510 521686452 /nfs/dbraw/zinc/68/64/52/521686452.db2.gz LTJOZJKVKZKOOV-HUUCEWRRSA-N 2 0 283.460 1.560 10 0 CDAERP CC[NH+]1CCN([C@H](C[NH3+])c2ccc3ncccc3c2)CC1 ZINC000069502262 521694797 /nfs/dbraw/zinc/69/47/97/521694797.db2.gz KFZGAGPOKFWJOE-QGZVFWFLSA-N 2 0 284.407 1.872 10 0 CDAERP CCC1(C[NH+]2CCN(c3ccccn3)CC2)CC[NH2+]CC1 ZINC000062850565 521702625 /nfs/dbraw/zinc/70/26/25/521702625.db2.gz MEQHLJXWPBWVML-UHFFFAOYSA-N 2 0 288.439 1.983 10 0 CDAERP C[NH+](C)CCN1CCN([C@H](C[NH3+])c2cccc(F)c2)CC1 ZINC000061642394 521768458 /nfs/dbraw/zinc/76/84/58/521768458.db2.gz UZXDEAHTTJYKAI-MRXNPFEDSA-N 2 0 294.418 1.005 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)C1CCC(C[NH3+])CC1 ZINC000061656279 521830434 /nfs/dbraw/zinc/83/04/34/521830434.db2.gz VDBYHAZLDZXHQU-RUXDESIVSA-N 2 0 267.417 1.304 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1Cc1ccc(C(N)=[NH2+])cc1F ZINC000061644691 521841410 /nfs/dbraw/zinc/84/14/10/521841410.db2.gz VEZXUJRPNQNAJN-ZDUSSCGKSA-N 2 0 278.375 1.636 10 0 CDAERP COC(=O)c1cc(C[NH2+]CCCC[NH+](C)C)oc1C ZINC000045664114 521856490 /nfs/dbraw/zinc/85/64/90/521856490.db2.gz QYVFXUXSYFUTBJ-UHFFFAOYSA-N 2 0 268.357 1.806 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1CCOc1ccc(C(N)=[NH2+])cc1 ZINC000061644714 521868557 /nfs/dbraw/zinc/86/85/57/521868557.db2.gz QBHYLZWPERBJJW-CQSZACIVSA-N 2 0 290.411 1.375 10 0 CDAERP C[NH2+]CCC[C@H](C)[NH+]1CCN(c2ccccn2)CC1 ZINC000052418608 522000551 /nfs/dbraw/zinc/00/05/51/522000551.db2.gz SLJFUJWHQCHYGL-AWEZNQCLSA-N 2 0 262.401 1.592 10 0 CDAERP C[NH2+]C[C@@H](c1ccccc1)N(C)C1CC[NH+](C)CC1 ZINC000052419942 522038234 /nfs/dbraw/zinc/03/82/34/522038234.db2.gz UOUGDVNPNBTQGL-INIZCTEOSA-N 2 0 261.413 1.973 10 0 CDAERP C[NH2+]C[C@H]1CC[C@H](C[N@H+](C)Cc2cccs2)O1 ZINC000052456341 522095538 /nfs/dbraw/zinc/09/55/38/522095538.db2.gz AHPKPXVXJVWQLL-VXGBXAGGSA-N 2 0 254.399 1.947 10 0 CDAERP C[NH2+]Cc1ccc(OCC[NH+]2CCCCC2)nn1 ZINC000051549067 522122948 /nfs/dbraw/zinc/12/29/48/522122948.db2.gz SOOMQBPGGQCLMU-UHFFFAOYSA-N 2 0 250.346 1.061 10 0 CDAERP CC[C@@H](C)[NH+]1CCN([C@@]2(C[NH3+])CCSC2)CC1 ZINC000055064661 522131121 /nfs/dbraw/zinc/13/11/21/522131121.db2.gz LBYPIDOEJDTGSM-CHWSQXEVSA-N 2 0 257.447 1.237 10 0 CDAERP CC[C@H](CCO)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353528781 522145373 /nfs/dbraw/zinc/14/53/73/522145373.db2.gz HZWYUSSDPQZSEE-BARDWOONSA-N 2 0 254.418 1.857 10 0 CDAERP C[NH2+][C@@H]1CCCCC[C@H]1N(C)CC[NH+]1CCCC1 ZINC000063051805 522378102 /nfs/dbraw/zinc/37/81/02/522378102.db2.gz KBUAQGPPMOKLIF-HUUCEWRRSA-N 2 0 253.434 1.935 10 0 CDAERP C[NH2+][C@H]1CCCCC[C@H]1CN1CC[C@H]([NH+](C)C)C1 ZINC000062970164 522490898 /nfs/dbraw/zinc/49/08/98/522490898.db2.gz PQWQIUCXMPSQCO-KKUMJFAQSA-N 2 0 253.434 1.791 10 0 CDAERP C[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000055162873 523763736 /nfs/dbraw/zinc/76/37/36/523763736.db2.gz OBXBSEXUSKJPEX-DZGCQCFKSA-N 2 0 281.444 1.600 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C2(C[NH3+])C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000055064805 523952482 /nfs/dbraw/zinc/95/24/82/523952482.db2.gz LCVMKAKTJVIPEY-PMRDEQMMSA-N 3 0 294.487 1.357 10 0 CDAERP CC[C@H](C)[NH+]1CCN([C@H]2COc3ccccc3[C@@H]2[NH3+])CC1 ZINC000055065291 523959779 /nfs/dbraw/zinc/95/97/79/523959779.db2.gz IDJNMCZZXMZFKX-QRTARXTBSA-N 2 0 289.423 1.864 10 0 CDAERP C[C@H](CCC[NH2+]C1CC1)[NH+]1CCC([NH+](C)C)CC1 ZINC000052477741 524143479 /nfs/dbraw/zinc/14/34/79/524143479.db2.gz MNVZSXJQHCKMHL-CYBMUJFWSA-N 3 0 253.434 1.933 10 0 CDAERP C[C@H]1CCC[C@H](C(=O)N2CCC(C[NH+](C)C)CC2)[C@@H]1[NH3+] ZINC000055134922 524176327 /nfs/dbraw/zinc/17/63/27/524176327.db2.gz MTOINQSDVKQALD-AEGPPILISA-N 2 0 281.444 1.550 10 0 CDAERP C[C@@H](CCC[NH2+]C(C)(C)C)[N@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000052482892 524457199 /nfs/dbraw/zinc/45/71/99/524457199.db2.gz MORLXQSFLVPHKK-QWHCGFSZSA-N 2 0 290.473 1.662 10 0 CDAERP C[C@@H](CC[NH+](C)C)[NH2+]C[C@@H](O)COC1CCCC1 ZINC000049557145 524475321 /nfs/dbraw/zinc/47/53/21/524475321.db2.gz NNVPXEPCPSUUHK-QWHCGFSZSA-N 2 0 258.406 1.236 10 0 CDAERP C[C@@H](CNC(=O)C[C@H]1CCCC[C@@H]1[NH3+])[NH+]1CCCCC1 ZINC000055135345 524657907 /nfs/dbraw/zinc/65/79/07/524657907.db2.gz NFMSSVZOKFHVRR-ZNMIVQPWSA-N 2 0 281.444 1.885 10 0 CDAERP C[C@@H](C[NH2+]C1CC1)N1CC[NH+](C2CCCC2)CC1 ZINC000052573453 524736372 /nfs/dbraw/zinc/73/63/72/524736372.db2.gz FWDVLFZZHGTJLB-ZDUSSCGKSA-N 2 0 251.418 1.687 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2C)CC[C@@H]1[NH3+] ZINC000055138632 524769177 /nfs/dbraw/zinc/76/91/77/524769177.db2.gz TZJNLVAYLAMYDK-XUXIUFHCSA-N 2 0 267.417 1.350 10 0 CDAERP Cc1cc(F)ccc1[C@@H](C[NH3+])N1CC[NH+](C)CC1 ZINC000050578081 525001958 /nfs/dbraw/zinc/00/19/58/525001958.db2.gz IBCJAKGXXYOWCT-CQSZACIVSA-N 2 0 251.349 1.381 10 0 CDAERP COc1ccc([C@@H](C[NH3+])N2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000062977529 525180494 /nfs/dbraw/zinc/18/04/94/525180494.db2.gz ITVPVUCQFMUFOF-DOTOQJQBSA-N 2 0 289.423 1.865 10 0 CDAERP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000045663821 525332280 /nfs/dbraw/zinc/33/22/80/525332280.db2.gz DCOTWLQEQDTJMH-NSHDSACASA-N 2 0 276.384 1.849 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000246578264 525381176 /nfs/dbraw/zinc/38/11/76/525381176.db2.gz VLHGZJIMVMZUSC-XGUBFFRZSA-N 2 0 295.471 1.987 10 0 CDAERP Cc1cc([C@H](C[NH3+])N2CC[NH+](C)CC2)ccc1F ZINC000050545811 525536197 /nfs/dbraw/zinc/53/61/97/525536197.db2.gz SYECDXXMWMQGQP-AWEZNQCLSA-N 2 0 251.349 1.381 10 0 CDAERP C[C@@]([NH3+])(CCCC[NH+]1Cc2ccccc2C1)C(N)=O ZINC000050912341 525748213 /nfs/dbraw/zinc/74/82/13/525748213.db2.gz JDGSASHGYVWJGY-OAHLLOKOSA-N 2 0 261.369 1.375 10 0 CDAERP Cc1ccc2c(c1)[nH+]c(N)n2C[C@H]1C[N@@H+](C)CCN1C ZINC000068807116 526219648 /nfs/dbraw/zinc/21/96/48/526219648.db2.gz GAZHLKKBLSKGDH-GFCCVEGCSA-N 2 0 273.384 1.173 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCCNC(=O)C1(C)CC[NH2+]CC1 ZINC000062839537 526245883 /nfs/dbraw/zinc/24/58/83/526245883.db2.gz FEYPUNYBEOKWIP-AWEZNQCLSA-N 2 0 281.444 1.757 10 0 CDAERP Cc1nnc(N2CCC[C@@H]2C[NH+](C)C)c(C[NH3+])c1C ZINC000061641600 526358010 /nfs/dbraw/zinc/35/80/10/526358010.db2.gz KTIFVUYXMCNXCP-GFCCVEGCSA-N 2 0 263.389 1.083 10 0 CDAERP c1ccc([C@H]2C[C@H]2[NH2+]CCN2CCC[NH2+]CC2)cc1 ZINC000061275653 526498647 /nfs/dbraw/zinc/49/86/47/526498647.db2.gz DYZHUSDYIUKLIM-HZPDHXFCSA-N 2 0 259.397 1.427 10 0 CDAERP Cc1oc(CN(C)C2CC[NH+](C)CC2)cc1C[NH3+] ZINC000052419836 526768666 /nfs/dbraw/zinc/76/86/66/526768666.db2.gz HIXNIAUAUGGQBI-UHFFFAOYSA-N 2 0 251.374 1.573 10 0 CDAERP O=C(C[C@H]1CCCC[NH2+]1)NCC[NH+]1CCCCC1 ZINC000049575576 527161107 /nfs/dbraw/zinc/16/11/07/527161107.db2.gz GIXDWSVEFGYNLP-CYBMUJFWSA-N 2 0 253.390 1.121 10 0 CDAERP [NH3+]CCC[N@H+](CCCOCC(F)(F)F)C1CC1 ZINC000049312079 527178595 /nfs/dbraw/zinc/17/85/95/527178595.db2.gz RDTNMOPQBVUFPQ-UHFFFAOYSA-N 2 0 254.296 1.769 10 0 CDAERP [NH3+]C[C@H](Cc1ccccc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062978475 527225217 /nfs/dbraw/zinc/22/52/17/527225217.db2.gz HOMOOXTWKRHGCU-IRXDYDNUSA-N 2 0 273.424 1.727 10 0 CDAERP [NH3+]Cc1ccc(F)cc1CN1CC[NH+](CC2CC2)CC1 ZINC000069401329 527255175 /nfs/dbraw/zinc/25/51/75/527255175.db2.gz PDXYNRNTECEQET-UHFFFAOYSA-N 2 0 277.387 1.812 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1C(=O)NCC[NH+]1CCCCCC1 ZINC000055089284 527344527 /nfs/dbraw/zinc/34/45/27/527344527.db2.gz YWRKRWNDHSKSGJ-ZIAGYGMSSA-N 2 0 267.417 1.496 10 0 CDAERP OCCC[C@@H]1CCC[N@@H+]1CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052763427 527543128 /nfs/dbraw/zinc/54/31/28/527543128.db2.gz JFJNZAWKSGJEDC-INIZCTEOSA-N 2 0 296.455 1.772 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000175781661 535299519 /nfs/dbraw/zinc/29/95/19/535299519.db2.gz MDZFYKJWHVCDAR-HNNXBMFYSA-N 2 0 294.443 1.374 10 0 CDAERP CC[NH+](CC)[C@@H](CNC(=O)NCCC[NH3+])CC(C)C ZINC000416943052 535657269 /nfs/dbraw/zinc/65/72/69/535657269.db2.gz BVGYGUTVXOQTOW-CYBMUJFWSA-N 2 0 272.437 1.391 10 0 CDAERP CC[N@H+](CCN[C@@H](C)c1c[nH+]ccc1N)C(C)C ZINC000422884531 535739493 /nfs/dbraw/zinc/73/94/93/535739493.db2.gz XFMLSBHPPUPBFJ-LBPRGKRZSA-N 2 0 250.390 1.875 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](C)Oc1ccc(F)cc1 ZINC000422795346 536850848 /nfs/dbraw/zinc/85/08/48/536850848.db2.gz VJKIGYGQDWVIIP-OCCSQVGLSA-N 2 0 284.375 1.937 10 0 CDAERP C[C@@H](CO)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000121106776 538273747 /nfs/dbraw/zinc/27/37/47/538273747.db2.gz LTRIFHWDFWKLCN-CQSZACIVSA-N 2 0 270.417 1.192 10 0 CDAERP CC(C)C[C@H]([NH2+][C@H]1CC[C@H]1C1CC1)C(=O)NCC[NH+](C)C ZINC000348367354 538287237 /nfs/dbraw/zinc/28/72/37/538287237.db2.gz CHSNTPHJGHDXMO-JYJNAYRXSA-N 2 0 295.471 1.857 10 0 CDAERP CC/C=C/CC[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001689793099 1175252436 /nfs/dbraw/zinc/25/24/36/1175252436.db2.gz ABBHKOZJJAJLQP-NFAHFFEMSA-N 2 0 281.444 1.875 10 0 CDAERP C[C@@H]1C[C@@H](N[C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C[N@@H+]1C1CC1 ZINC000925541721 617484168 /nfs/dbraw/zinc/48/41/68/617484168.db2.gz MBOVHKHGXMONLW-HPCJDURASA-N 2 0 277.456 1.978 10 0 CDAERP COCCOCCCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925543330 617487459 /nfs/dbraw/zinc/48/74/59/617487459.db2.gz UJADVURAMGCIJH-ZDUSSCGKSA-N 2 0 256.390 1.304 10 0 CDAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000926202945 617514771 /nfs/dbraw/zinc/51/47/71/617514771.db2.gz OEOLDGLVAUOPKF-YYIAUSFCSA-N 2 0 277.456 1.957 10 0 CDAERP C[C@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H]1CC[C@H](CO)CC1)[NH2+]2 ZINC000925614248 617559002 /nfs/dbraw/zinc/55/90/02/617559002.db2.gz HMCRUVXYHNANIE-GXYBRJDSSA-N 2 0 252.402 1.656 10 0 CDAERP C[C@@H](CNC(=O)N[C@H]1C[NH2+]CC[C@H]1C)[NH+]1CCCCC1 ZINC000841726888 620727359 /nfs/dbraw/zinc/72/73/59/620727359.db2.gz VSQMYJPJNWFIIQ-RDBSUJKOSA-N 2 0 282.432 1.158 10 0 CDAERP C(N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000925651366 617595253 /nfs/dbraw/zinc/59/52/53/617595253.db2.gz BFSBBGMYZYATIQ-LSDHHAIUSA-N 2 0 263.429 1.878 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCC2(O)CCOCC2)C1 ZINC000925672154 617631805 /nfs/dbraw/zinc/63/18/05/617631805.db2.gz UNLOJGFDBPQXKM-STQMWFEESA-N 2 0 270.417 1.414 10 0 CDAERP COC(=O)c1cc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])n(C)c1C ZINC000925771245 617636387 /nfs/dbraw/zinc/63/63/87/617636387.db2.gz ZAAJDDVAKHLALB-BXUZGUMPSA-N 2 0 279.384 1.337 10 0 CDAERP CO[C@H](C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)C1CC1 ZINC000925675750 617638611 /nfs/dbraw/zinc/63/86/11/617638611.db2.gz PMZGSPZWXUGOLC-MQYQWHSLSA-N 2 0 252.402 1.778 10 0 CDAERP COCC[C@H](COC)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925677597 617645577 /nfs/dbraw/zinc/64/55/77/617645577.db2.gz VQLISHXBOHELNP-UPJWGTAASA-N 2 0 258.406 1.534 10 0 CDAERP CC1(C)[C@H]([NH2+]CC2=CCOCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925677985 617646293 /nfs/dbraw/zinc/64/62/93/617646293.db2.gz BGQZWWUIUVCWTH-HZSPNIEDSA-N 2 0 250.386 1.699 10 0 CDAERP CC(C)NC(=O)[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925689742 617689095 /nfs/dbraw/zinc/68/90/95/617689095.db2.gz JLPCALUCCQJARE-TUAOUCFPSA-N 2 0 255.406 1.395 10 0 CDAERP COC[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]1)[C@@H]1CCCOC1 ZINC000925781407 617692181 /nfs/dbraw/zinc/69/21/81/617692181.db2.gz YLXLDNJIFCLZEV-CRWXNKLISA-N 2 0 256.390 1.158 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000925786798 617711695 /nfs/dbraw/zinc/71/16/95/617711695.db2.gz VCGNVMXJIMARBN-MBJXGIAVSA-N 2 0 252.402 1.635 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CNCC2(CCOCC2)C1 ZINC000925799324 617730398 /nfs/dbraw/zinc/73/03/98/617730398.db2.gz SNVGLIDMFSQXHN-KGLIPLIRSA-N 2 0 269.433 1.252 10 0 CDAERP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc2c(c1)OCO2 ZINC000925808011 617748779 /nfs/dbraw/zinc/74/87/79/617748779.db2.gz JGRYJRDDKJGZCL-GFCCVEGCSA-N 2 0 291.395 1.489 10 0 CDAERP C[C@@H]1C[C@H](N[C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC[NH2+]1 ZINC000925701235 617750490 /nfs/dbraw/zinc/75/04/90/617750490.db2.gz WAPISIRXTPHAAU-POQQGIQPSA-N 2 0 251.418 1.493 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1c[nH]c(=O)c2ccccc12 ZINC000925812263 617756724 /nfs/dbraw/zinc/75/67/24/617756724.db2.gz KUZOHDAYHMINHI-CYBMUJFWSA-N 2 0 289.379 1.784 10 0 CDAERP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc[nH]c3)C2)[C@@H]1C(C)C ZINC000888097848 617761312 /nfs/dbraw/zinc/76/13/12/617761312.db2.gz QKZASPXTVVSTCG-NCOADZHNSA-N 2 0 291.439 1.974 10 0 CDAERP COC[C@H](CC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)OC ZINC000925714858 617826730 /nfs/dbraw/zinc/82/67/30/617826730.db2.gz YBSZWEJLYQSETC-XQQFMLRXSA-N 2 0 258.406 1.534 10 0 CDAERP CC1(C)[C@H]([NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925833509 617858751 /nfs/dbraw/zinc/85/87/51/617858751.db2.gz SQTWXVGHRPNOPA-PMXAPFLYSA-N 2 0 280.412 1.157 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)[C@H]1CCCOC1 ZINC000925859642 617898986 /nfs/dbraw/zinc/89/89/86/617898986.db2.gz XISSCCUNWXMWCA-IHRRRGAJSA-N 2 0 296.411 1.076 10 0 CDAERP COC(=O)C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)[C@H]1C ZINC000925880385 617960309 /nfs/dbraw/zinc/96/03/09/617960309.db2.gz QMMIRWDUHQJZFM-ZUWCUPBKSA-N 2 0 268.401 1.681 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@](C)(O)c1cccc(F)c1 ZINC000926889554 618047387 /nfs/dbraw/zinc/04/73/87/618047387.db2.gz LEISABCKXJANRO-UKGMILFYSA-N 2 0 292.398 1.963 10 0 CDAERP CC(C)COC[C@@H](O)C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000923416457 618327934 /nfs/dbraw/zinc/32/79/34/618327934.db2.gz WSTRGIRTJIXWQT-HOCLYGCPSA-N 2 0 286.460 1.717 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@H](C)C[C@H]2CCC(=O)N2)CC1 ZINC000924956412 618398730 /nfs/dbraw/zinc/39/87/30/618398730.db2.gz WDINIWWIUPKSNI-UKRRQHHQSA-N 2 0 281.444 1.755 10 0 CDAERP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000894765411 619051773 /nfs/dbraw/zinc/05/17/73/619051773.db2.gz HRGQVNFHQZXZKF-MGPQQGTHSA-N 2 0 268.401 1.648 10 0 CDAERP COC[C@H]1C[C@@H]([NH2+]C2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000895622923 619765041 /nfs/dbraw/zinc/76/50/41/619765041.db2.gz JHUBALKLPOAYKI-XBXGTLAGSA-N 2 0 270.417 1.236 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCN2C(C)(C)C)C1 ZINC000895833650 619867814 /nfs/dbraw/zinc/86/78/14/619867814.db2.gz BUEXOHVFQKTYKA-NWDGAFQWSA-N 2 0 253.390 1.070 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902796016 625415568 /nfs/dbraw/zinc/41/55/68/625415568.db2.gz KZIHIIBPVBEDQF-UTQGOSHXSA-N 2 0 293.455 1.025 10 0 CDAERP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902796015 625415880 /nfs/dbraw/zinc/41/58/80/625415880.db2.gz KZIHIIBPVBEDQF-OVYBAWALSA-N 2 0 293.455 1.025 10 0 CDAERP CN(C)[C@H](CC[NH2+]C1[C@@H]2CC[C@H]1C[N@@H+](C)C2)C(F)(F)F ZINC000926959329 621629803 /nfs/dbraw/zinc/62/98/03/621629803.db2.gz RKZXMBSGAFQLRN-DAAZQVBGSA-N 2 0 293.377 1.799 10 0 CDAERP CCN1CC[NH+](CCCC[NH2+][C@@H]2CO[C@H](C)[C@H]2C)CC1 ZINC000924663926 621642332 /nfs/dbraw/zinc/64/23/32/621642332.db2.gz YOUUKLJAAIGQLZ-BZUAXINKSA-N 2 0 283.460 1.417 10 0 CDAERP CCN(C(=O)[C@H]1CC[NH+]1C(C)(C)C)[C@H]1CC[N@H+](C)C1 ZINC000898587896 621801750 /nfs/dbraw/zinc/80/17/50/621801750.db2.gz SMSJRBXEXOVEAR-QWHCGFSZSA-N 2 0 267.417 1.412 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)C12CC[NH+](CC1)C2)c1ccsc1 ZINC000900136997 622728480 /nfs/dbraw/zinc/72/84/80/622728480.db2.gz VDXLCMVFYTZQRW-ZDUSSCGKSA-N 2 0 293.436 1.563 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000901326481 624183375 /nfs/dbraw/zinc/18/33/75/624183375.db2.gz IHJFUIKKZLORPC-KBPBESRZSA-N 2 0 267.417 1.413 10 0 CDAERP CCCCNC(=O)C1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903431439 625989757 /nfs/dbraw/zinc/98/97/57/625989757.db2.gz OGFCFPSUOFFYFN-HIFRSBDPSA-N 2 0 281.444 1.742 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)C[C@@H](O)COCc1ccccc1 ZINC000903432420 625990216 /nfs/dbraw/zinc/99/02/16/625990216.db2.gz BFJHDHUNZOGBLE-HYVNUMGLSA-N 2 0 292.423 1.351 10 0 CDAERP C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000903437824 625991915 /nfs/dbraw/zinc/99/19/15/625991915.db2.gz NAPQOYSDUUZNCN-OUAUKWLOSA-N 2 0 293.333 1.209 10 0 CDAERP Cn1nccc1[C@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903441732 625996920 /nfs/dbraw/zinc/99/69/20/625996920.db2.gz AFUPDCXGKLHRAJ-RDBSUJKOSA-N 2 0 262.401 1.727 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CC[C@H]([NH3+])C2)[C@H](C)C1 ZINC000903444227 625998160 /nfs/dbraw/zinc/99/81/60/625998160.db2.gz QEZUFCLLVXBOND-KBXIAJHMSA-N 3 0 253.434 1.776 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000903444220 625998244 /nfs/dbraw/zinc/99/82/44/625998244.db2.gz QAMMEAGHVOTMSO-PMPSAXMXSA-N 2 0 265.445 1.650 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C[C@@H]2C[NH2+]C[C@H]2C)[C@@H](C)C1 ZINC000903445011 625998745 /nfs/dbraw/zinc/99/87/45/625998745.db2.gz WSUPJHVZTYJZSL-QPSCCSFWSA-N 2 0 253.434 1.504 10 0 CDAERP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CCc1ccns1 ZINC000903450243 626000454 /nfs/dbraw/zinc/00/04/54/626000454.db2.gz RBNCMCVOJSJYBN-GFCCVEGCSA-N 2 0 296.440 1.005 10 0 CDAERP Cc1nc([C@@H]2CC[N@H+](CCCC3CC[NH2+]CC3)C2)no1 ZINC000903490900 626010757 /nfs/dbraw/zinc/01/07/57/626010757.db2.gz MEBMRRDQYDXMLF-CQSZACIVSA-N 2 0 278.400 1.947 10 0 CDAERP Cc1nc([C@@H]2CC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)no1 ZINC000903491221 626010902 /nfs/dbraw/zinc/01/09/02/626010902.db2.gz ZRDTURJQIMIHAP-CHWSQXEVSA-N 2 0 264.373 1.557 10 0 CDAERP CNC(=O)c1cccc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000903497269 626012238 /nfs/dbraw/zinc/01/22/38/626012238.db2.gz SIGTXONFLWHWAP-IUODEOHRSA-N 2 0 275.396 1.463 10 0 CDAERP C([C@@H]1C[C@@H]2COC[C@H]2O1)[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000903713181 626069557 /nfs/dbraw/zinc/06/95/57/626069557.db2.gz HQEWIHWOEQBYHF-BYCMXARLSA-N 2 0 266.385 1.007 10 0 CDAERP C(c1[nH]nc2c1COCC2)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000903748946 626072031 /nfs/dbraw/zinc/07/20/31/626072031.db2.gz DRPSUQXJFYHHJA-UHFFFAOYSA-N 2 0 276.384 1.058 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCC[C@H](C)CC2)cnn1C ZINC000903890182 626124338 /nfs/dbraw/zinc/12/43/38/626124338.db2.gz YYSLVHOCIQRNMW-DZGCQCFKSA-N 2 0 278.444 1.968 10 0 CDAERP OCCCC[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000903892719 626134447 /nfs/dbraw/zinc/13/44/47/626134447.db2.gz MCYQNHJLLIPVPL-AGUYFDCRSA-N 2 0 252.402 1.754 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCSCC[C@H]2C)cnn1C ZINC000903908314 626142290 /nfs/dbraw/zinc/14/22/90/626142290.db2.gz GMVFTVFZDDBATA-TZMCWYRMSA-N 2 0 296.484 1.673 10 0 CDAERP O=C1CCCN1[C@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903913462 626145365 /nfs/dbraw/zinc/14/53/65/626145365.db2.gz CMIUNYZNEWNNLD-DKUMPPAJSA-N 2 0 277.412 1.214 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCC[C@@H](CCF)C2)cnn1C ZINC000903932754 626152307 /nfs/dbraw/zinc/15/23/07/626152307.db2.gz GGLNHBDJENTAOK-GJZGRUSLSA-N 2 0 296.434 1.918 10 0 CDAERP [NH3+]Cc1ccc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000903932173 626152352 /nfs/dbraw/zinc/15/23/52/626152352.db2.gz NNFZZJCMLBFHRH-MQVJKMGUSA-N 3 0 259.397 1.766 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[NH2+]Cc2cccc(N)c2)cnn1C ZINC000903933866 626152722 /nfs/dbraw/zinc/15/27/22/626152722.db2.gz XHEDILRRLGGLPN-CQSZACIVSA-N 2 0 287.411 1.218 10 0 CDAERP COC(=O)[C@@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1C1CC1 ZINC000903933137 626152888 /nfs/dbraw/zinc/15/28/88/626152888.db2.gz YTXKZDKJKVNAHZ-UIEWWBOYSA-N 2 0 292.423 1.648 10 0 CDAERP COC(=O)N1CCC([NH2+]C[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000903958335 626158429 /nfs/dbraw/zinc/15/84/29/626158429.db2.gz XXOFWZPPNYKEIG-JTQLQIEISA-N 2 0 291.342 1.052 10 0 CDAERP C[C@H](C[C@H]1CCC[NH2+]1)N1CCc2sc(C[NH3+])nc2C1 ZINC000903945163 626163043 /nfs/dbraw/zinc/16/30/43/626163043.db2.gz ROLRXFVUJMPNLB-GHMZBOCLSA-N 2 0 280.441 1.491 10 0 CDAERP C[C@H]1C[C@@H](C[NH2+]C2(c3ncccn3)CCC2)CC[NH2+]1 ZINC000903948415 626164050 /nfs/dbraw/zinc/16/40/50/626164050.db2.gz PVCMOFAGLODIBA-STQMWFEESA-N 2 0 260.385 1.834 10 0 CDAERP COC(=O)c1ccc(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)o1 ZINC000903974217 626169143 /nfs/dbraw/zinc/16/91/43/626169143.db2.gz MBMLTPVNVFWPCI-GHMZBOCLSA-N 2 0 266.341 1.401 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]C1CCN(c2ccccn2)CC1 ZINC000903974138 626169185 /nfs/dbraw/zinc/16/91/85/626169185.db2.gz JWDRCVGDDRJLOK-HUUCEWRRSA-N 2 0 288.439 1.886 10 0 CDAERP COCCCn1nccc1C[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903978800 626170493 /nfs/dbraw/zinc/17/04/93/626170493.db2.gz MQKFMBZLZRPXMR-ZIAGYGMSSA-N 2 0 280.416 1.255 10 0 CDAERP CCOC(=O)N1CCC([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903966760 626172427 /nfs/dbraw/zinc/17/24/27/626172427.db2.gz BIPPOECHPFOXMP-NEPJUHHUSA-N 2 0 269.389 1.052 10 0 CDAERP CC(C)(C)[NH2+]CCN1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903983598 626173053 /nfs/dbraw/zinc/17/30/53/626173053.db2.gz JXRPLVDXCVZLQE-VHSXEESVSA-N 2 0 267.339 1.586 10 0 CDAERP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)C[C@@H]2C1 ZINC000911829736 629559421 /nfs/dbraw/zinc/55/94/21/629559421.db2.gz UREMNPTZEZLCAM-FXUDXRNXSA-N 2 0 291.439 1.413 10 0 CDAERP C[N@H+](CC(=O)N1CC[C@H]([NH+]2CCC2)C1)CC(C)(C)C ZINC000912903764 630296825 /nfs/dbraw/zinc/29/68/25/630296825.db2.gz SHUYKBLPEOGDMB-ZDUSSCGKSA-N 2 0 267.417 1.271 10 0 CDAERP CC(C)[C@H](C(=O)NC12CC[NH+](CC1)C2)[NH+]1CCCCC1 ZINC000913628546 630718565 /nfs/dbraw/zinc/71/85/65/630718565.db2.gz HWKYPXBDVMJUMI-CQSZACIVSA-N 2 0 279.428 1.461 10 0 CDAERP C[C@H]1[C@@H](NC(=O)NCC2([NH+](C)C)CCCC2)CC[N@@H+]1C ZINC000913875659 630858908 /nfs/dbraw/zinc/85/89/08/630858908.db2.gz XKRSEBQORXCHNQ-STQMWFEESA-N 2 0 282.432 1.253 10 0 CDAERP C[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1C)C[NH+]1CCCCC1 ZINC000914278114 631303421 /nfs/dbraw/zinc/30/34/21/631303421.db2.gz RPEJWAKFWSBXJQ-ILXRZTDVSA-N 2 0 296.459 1.500 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)NCC[NH+](C)C2CCCC2)CC[N@@H+]1C ZINC000916980061 632118304 /nfs/dbraw/zinc/11/83/04/632118304.db2.gz YAUQAGVCDBAAPO-OCCSQVGLSA-N 2 0 282.432 1.253 10 0 CDAERP C[C@@H]1[C@H](NC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC[N@@H+]1C ZINC000921330751 632931765 /nfs/dbraw/zinc/93/17/65/632931765.db2.gz PFMAYSLSCMUTSM-XJFOESAGSA-N 2 0 282.432 1.251 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)N1CC[NH+](C)CC1 ZINC000921689625 633184039 /nfs/dbraw/zinc/18/40/39/633184039.db2.gz JGVGCAKNPVDUHD-WCXIOVBPSA-N 2 0 295.471 1.417 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)NC(C)(C)C[NH+](C)C)C1 ZINC001625837576 1158519671 /nfs/dbraw/zinc/51/96/71/1158519671.db2.gz XEFPBLFBGNRYNP-CYBMUJFWSA-N 2 0 269.433 1.563 10 0 CDAERP CCOCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001670677611 1158687116 /nfs/dbraw/zinc/68/71/16/1158687116.db2.gz RMEAAOUQNIHNPH-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CN(CC[NH2+]CCC1CC1)C(=O)CCc1c[nH]cn1 ZINC001266720713 1158785912 /nfs/dbraw/zinc/78/59/12/1158785912.db2.gz TZCXPTSEIVVZDE-UHFFFAOYSA-N 2 0 264.373 1.190 10 0 CDAERP C[C@@H](CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)[NH+]1CCCCC1 ZINC000713419513 695844215 /nfs/dbraw/zinc/84/42/15/695844215.db2.gz BWOVZCPVEBQDBG-XFMPKHEZSA-N 2 0 265.401 1.104 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+][C@H]2CCc3c2nccc3Cl)CC1 ZINC000925112414 695219839 /nfs/dbraw/zinc/21/98/39/695219839.db2.gz FTPBKYXSQWKIAY-ZDUSSCGKSA-N 2 0 295.814 1.769 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000925827322 695228490 /nfs/dbraw/zinc/22/84/90/695228490.db2.gz NDPNDXFURQJBCR-KBMXLJTQSA-N 2 0 276.428 1.662 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C[C@@H]([NH3+])C1CC1 ZINC000228540173 695241191 /nfs/dbraw/zinc/24/11/91/695241191.db2.gz RKHKMUSCYYASAQ-CHWSQXEVSA-N 2 0 253.390 1.057 10 0 CDAERP C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCCCCCC[NH3+] ZINC000842471574 695242566 /nfs/dbraw/zinc/24/25/66/695242566.db2.gz JZWVVPSCLANEBB-QWHCGFSZSA-N 2 0 255.406 1.481 10 0 CDAERP FC1(F)Oc2cccc(CN3CC[NH2+]CC[NH2+]CC3)c2O1 ZINC000923460335 695278525 /nfs/dbraw/zinc/27/85/25/695278525.db2.gz MOKQZPCVCSUDDU-UHFFFAOYSA-N 2 0 299.321 1.003 10 0 CDAERP CCNC(=O)C1(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)CCC1 ZINC000925649742 695314000 /nfs/dbraw/zinc/31/40/00/695314000.db2.gz IRRNEAOYKZZVHM-NWDGAFQWSA-N 2 0 265.401 1.152 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)CC[N@@H+]1C ZINC000848572004 695318478 /nfs/dbraw/zinc/31/84/78/695318478.db2.gz SIOOMVCHLTZVBL-NTZNESFSSA-N 2 0 267.373 1.042 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000863543916 695337067 /nfs/dbraw/zinc/33/70/67/695337067.db2.gz GSGKDJUJEGOLAP-GHMZBOCLSA-N 2 0 268.323 1.933 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC[N@@H+]1C ZINC000925328811 695380763 /nfs/dbraw/zinc/38/07/63/695380763.db2.gz LDKZOZZFOYMKOD-KFWWJZLASA-N 2 0 294.443 1.349 10 0 CDAERP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@H](O)C2(O)CCC2)cc1 ZINC000930117668 695385411 /nfs/dbraw/zinc/38/54/11/695385411.db2.gz UAQKOZPUPMVURZ-INIZCTEOSA-N 2 0 292.423 1.456 10 0 CDAERP CC(C)CNC(=O)[C@@H](C)[N@H+](C)CCCCCC[NH3+] ZINC000710782053 695414460 /nfs/dbraw/zinc/41/44/60/695414460.db2.gz RRRIWOWZQODKRV-CYBMUJFWSA-N 2 0 257.422 1.598 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870885562 695472650 /nfs/dbraw/zinc/47/26/50/695472650.db2.gz JDQRVQRLNOWZFF-OSFYFWSMSA-N 2 0 265.401 1.104 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]([NH+](C)C)C23CCC3)CC[N@@H+]1C ZINC000864069672 695476492 /nfs/dbraw/zinc/47/64/92/695476492.db2.gz GBHVHWPFDQIUDX-YJNKXOJESA-N 2 0 293.455 1.706 10 0 CDAERP CCCCOC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723886963 695549989 /nfs/dbraw/zinc/54/99/89/695549989.db2.gz PCJUHUYMELDZIV-MGPQQGTHSA-N 2 0 258.406 1.081 10 0 CDAERP CCC[NH+]1CCC(CNC(=[NH2+])N2CCO[C@@H](C)C2)CC1 ZINC000848996109 695562478 /nfs/dbraw/zinc/56/24/78/695562478.db2.gz GQGLUQWBNICQEZ-ZDUSSCGKSA-N 2 0 282.432 1.353 10 0 CDAERP CCCCOC(=O)[C@@H](C)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923450817 695611604 /nfs/dbraw/zinc/61/16/04/695611604.db2.gz JEDALXOGYOSDDW-KGLIPLIRSA-N 2 0 298.427 1.548 10 0 CDAERP C[NH+](C)C1(C)CCC([NH2+]C[C@H]2COC(C)(C)O2)CC1 ZINC000715207166 695613993 /nfs/dbraw/zinc/61/39/93/695613993.db2.gz ZFZVLFFEQRMUTL-OWYJLGKBSA-N 2 0 270.417 1.990 10 0 CDAERP C[C@H](CO[C@@H]1CCOC1)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925538333 695700863 /nfs/dbraw/zinc/70/08/63/695700863.db2.gz ADVDHAHFERMYIM-ZOBORPQBSA-N 2 0 270.417 1.676 10 0 CDAERP C(C[C@H]1CCC[NH2+]C1)[NH2+]C1CCC2(CC1)OCCO2 ZINC000817958844 695713298 /nfs/dbraw/zinc/71/32/98/695713298.db2.gz ZQKCNFXEYQCUQV-CYBMUJFWSA-N 2 0 268.401 1.651 10 0 CDAERP Cc1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)n(C)n1 ZINC000925668565 695714429 /nfs/dbraw/zinc/71/44/29/695714429.db2.gz XXNDNFJPPKPDMY-VXGBXAGGSA-N 2 0 250.390 1.724 10 0 CDAERP CC(C)C1CC([NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1 ZINC000925849389 695717014 /nfs/dbraw/zinc/71/70/14/695717014.db2.gz ITLZYKIVJSZPHS-RUXDESIVSA-N 2 0 280.412 1.696 10 0 CDAERP Cc1nc(C)c(CN(C)[C@H]2CC[N@@H+](C(C)C)C2)[nH]1 ZINC000930672016 695719117 /nfs/dbraw/zinc/71/91/17/695719117.db2.gz DMPKEWSBJHWFSR-ZDUSSCGKSA-N 2 0 250.390 1.941 10 0 CDAERP O=CN1CCC([NH2+]CCCCCC2CC[NH2+]CC2)CC1 ZINC000925807153 695726077 /nfs/dbraw/zinc/72/60/77/695726077.db2.gz IUYIIDAQKAGGCJ-UHFFFAOYSA-N 2 0 281.444 1.757 10 0 CDAERP CC[NH+](CC)C[C@H]1CCN(C(=O)C=C2CC[NH2+]CC2)C1 ZINC000852869295 695733465 /nfs/dbraw/zinc/73/34/65/695733465.db2.gz BNFXCSFLEPKWGF-OAHLLOKOSA-N 2 0 279.428 1.487 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)Nc2cc(F)cc(F)c2)CC[C@H]1C[NH3+] ZINC000923499107 695763305 /nfs/dbraw/zinc/76/33/05/695763305.db2.gz JWAVIBCCYJTKPP-MNOVXSKESA-N 2 0 297.349 1.820 10 0 CDAERP NC(=O)C[C@H]1CCCC[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923309495 695785409 /nfs/dbraw/zinc/78/54/09/695785409.db2.gz QBELLAUWBRDEGS-JALIKCBVSA-N 2 0 279.428 1.637 10 0 CDAERP Cn1cc(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)c2cccnc21 ZINC000925726690 695786620 /nfs/dbraw/zinc/78/66/20/695786620.db2.gz JYJGXFULFRAKGF-GMBUGEKQSA-N 2 0 296.418 1.702 10 0 CDAERP O[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C1CC1 ZINC000819175535 695808090 /nfs/dbraw/zinc/80/80/90/695808090.db2.gz ZPBPKMJLLXRPFX-OWCLPIDISA-N 2 0 282.428 1.115 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000713041079 695809056 /nfs/dbraw/zinc/80/90/56/695809056.db2.gz JYGGRBUZMUSHGM-KBPBESRZSA-N 2 0 283.460 1.796 10 0 CDAERP Cc1nccn1C[C@H](C)C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925594998 695816010 /nfs/dbraw/zinc/81/60/10/695816010.db2.gz FHWFWRCTCVYHDP-XBFCOCLRSA-N 2 0 262.401 1.687 10 0 CDAERP C[NH+](C)CCCC1CCN(C(=O)[C@H](O)c2cnc[nH]2)CC1 ZINC000867122534 695827329 /nfs/dbraw/zinc/82/73/29/695827329.db2.gz WRIXDGABICYCDZ-CQSZACIVSA-N 2 0 294.399 1.024 10 0 CDAERP Cc1ccccc1C1([NH2+]C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923382653 695843579 /nfs/dbraw/zinc/84/35/79/695843579.db2.gz DSPCCRPAAJSYHZ-AWEZNQCLSA-N 2 0 272.392 1.952 10 0 CDAERP CC1(C)C[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)C[C@@H]([NH3+])C1 ZINC000925609539 695855159 /nfs/dbraw/zinc/85/51/59/695855159.db2.gz VTABFUZISFLJKT-OWCLPIDISA-N 3 0 297.487 1.719 10 0 CDAERP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC(C)(C)CS(C)(=O)=O ZINC000925833674 695858017 /nfs/dbraw/zinc/85/80/17/695858017.db2.gz VVAXOKZSMBCOQM-RYUDHWBXSA-N 2 0 276.446 1.035 10 0 CDAERP C[NH+](C)CCC[C@H]1CN(CCC[NH2+]C2CC2)CCO1 ZINC000923397318 695861292 /nfs/dbraw/zinc/86/12/92/695861292.db2.gz LNPHOSRZTCLCGE-HNNXBMFYSA-N 2 0 269.433 1.171 10 0 CDAERP CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[C@H]([NH3+])C(C)C)C1 ZINC000713050605 695861572 /nfs/dbraw/zinc/86/15/72/695861572.db2.gz KMCMKTCLBOABLW-CHWSQXEVSA-N 2 0 269.433 1.596 10 0 CDAERP C[C@H](C[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1)c1nccs1 ZINC000923372382 695873167 /nfs/dbraw/zinc/87/31/67/695873167.db2.gz GQDQSEIXLVJDDZ-VXGBXAGGSA-N 2 0 281.425 1.557 10 0 CDAERP CCC[N@H+](CC)CCN[C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000262038473 695891359 /nfs/dbraw/zinc/89/13/59/695891359.db2.gz YGIMORGJEOSOFS-ARFHVFGLSA-N 2 0 283.460 1.465 10 0 CDAERP CO[C@H]1CCC[C@H]([NH2+]CCCCCN2CC[NH2+]CC2)C1 ZINC000925845241 695898473 /nfs/dbraw/zinc/89/84/73/695898473.db2.gz FRFGCLTYOAJOTF-HOTGVXAUSA-N 2 0 283.460 1.609 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccns2)CC1 ZINC000924657090 695931400 /nfs/dbraw/zinc/93/14/00/695931400.db2.gz FMYRGBSAKUREEK-ZDUSSCGKSA-N 2 0 282.457 1.821 10 0 CDAERP CCN(C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000853823667 695952270 /nfs/dbraw/zinc/95/22/70/695952270.db2.gz FNKMRTHWWJVFMN-RBSFLKMASA-N 2 0 296.459 1.595 10 0 CDAERP CC[NH+]1CCC(CC[NH2+]C[C@@H](O)c2ccc(F)cn2)CC1 ZINC000819105509 695968530 /nfs/dbraw/zinc/96/85/30/695968530.db2.gz FUQJYWMCNGTQKM-MRXNPFEDSA-N 2 0 295.402 1.966 10 0 CDAERP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1cccs1 ZINC000925807277 695972707 /nfs/dbraw/zinc/97/27/07/695972707.db2.gz FEQRMUHYCCRIDT-LLVKDONJSA-N 2 0 253.415 1.822 10 0 CDAERP [NH3+]C[C@@H]1CC2(CO1)CCN(CCC[NH+]1CCCCC1)CC2 ZINC000923452318 695981856 /nfs/dbraw/zinc/98/18/56/695981856.db2.gz PXLQVHCKFUNDCH-INIZCTEOSA-N 2 0 295.471 1.692 10 0 CDAERP Cc1ccncc1[C@@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925814863 695982066 /nfs/dbraw/zinc/98/20/66/695982066.db2.gz LWAIJLJQJLJTER-CYBMUJFWSA-N 2 0 262.401 1.464 10 0 CDAERP C[C@@H]1C[C@H]([NH2+][C@H](C2CC2)[C@@H]2CNCCO2)CCS1 ZINC000925861848 695987811 /nfs/dbraw/zinc/98/78/11/695987811.db2.gz UKZGEVAQLKJUMN-RUZUBIRVSA-N 2 0 270.442 1.627 10 0 CDAERP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C(C)(C)CO ZINC000925554454 696001289 /nfs/dbraw/zinc/00/12/89/696001289.db2.gz AMWKYCKVNQTDLU-CWRNSKLLSA-N 2 0 298.471 1.751 10 0 CDAERP Cc1cc(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)c(C)nn1 ZINC000923440546 696029167 /nfs/dbraw/zinc/02/91/67/696029167.db2.gz IQLJVVWYFICKJG-HNNXBMFYSA-N 2 0 290.411 1.423 10 0 CDAERP CCn1cc(C[NH2+]C2CCC(C)([NH+](C)C)CC2)nn1 ZINC000715557545 696030946 /nfs/dbraw/zinc/03/09/46/696030946.db2.gz KGOFGTYVOGROHI-UHFFFAOYSA-N 2 0 265.405 1.651 10 0 CDAERP C[C@@H](N[C@@H]1C[NH2+]CCC1(F)F)C1CC[NH+](C)CC1 ZINC000817980365 696059152 /nfs/dbraw/zinc/05/91/52/696059152.db2.gz KYBCZKZDHQJTSL-ZYHUDNBSSA-N 2 0 261.360 1.304 10 0 CDAERP CCO[C@H](CN[C@@H](C)c1c[nH+]ccc1N)C[NH+](C)C ZINC000925838974 696065498 /nfs/dbraw/zinc/06/54/98/696065498.db2.gz OJHBJVFHJRRRLW-NWDGAFQWSA-N 2 0 266.389 1.111 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)CC(F)F ZINC000849045904 696074449 /nfs/dbraw/zinc/07/44/49/696074449.db2.gz RLHUMMXBIHRIGD-GHMZBOCLSA-N 2 0 276.375 1.876 10 0 CDAERP CC[C@@H]1CCN(C(=[NH2+])NCC2([NH+](C)C)CCOCC2)C1 ZINC000864458892 696080832 /nfs/dbraw/zinc/08/08/32/696080832.db2.gz VWQXWOPKEQYAKM-CYBMUJFWSA-N 2 0 282.432 1.353 10 0 CDAERP [NH3+]CCCCCC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000841851364 696113330 /nfs/dbraw/zinc/11/33/30/696113330.db2.gz PJJKWUVRDRQYOO-UHFFFAOYSA-N 2 0 279.359 1.929 10 0 CDAERP C[C@@H]1C[N@H+](CCOCC(F)(F)F)CC[C@@H]1C[NH3+] ZINC000122295891 696132158 /nfs/dbraw/zinc/13/21/58/696132158.db2.gz WFJMPIYRXORIJL-NXEZZACHSA-N 2 0 254.296 1.482 10 0 CDAERP C1=C[C@@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@H]2CO[C@@H]1C2 ZINC000922717060 696135060 /nfs/dbraw/zinc/13/50/60/696135060.db2.gz GKQLFIXBNMPZAH-NPJQDHAYSA-N 2 0 262.397 1.794 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CCC[C@H]2CCOC2=O)CN1C1CC1 ZINC000872112508 696144107 /nfs/dbraw/zinc/14/41/07/696144107.db2.gz CMJYFACXTIGJPA-AGIUHOORSA-N 2 0 266.385 1.545 10 0 CDAERP CC(C)[N@H+](C)CCCN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925607305 696145868 /nfs/dbraw/zinc/14/58/68/696145868.db2.gz UQKXFUUFANZEER-CQSZACIVSA-N 2 0 253.434 1.981 10 0 CDAERP Cc1cc(C[NH3+])cc(NC(=O)C=C2CC[NH2+]CC2)c1 ZINC000852893688 696187256 /nfs/dbraw/zinc/18/72/56/696187256.db2.gz QDPDMLQJWNRQIX-UHFFFAOYSA-N 2 0 259.353 1.702 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000715572248 696191201 /nfs/dbraw/zinc/19/12/01/696191201.db2.gz QZAJOWMCFVPTNP-KDBYPZKRSA-N 2 0 265.401 1.103 10 0 CDAERP COC(=O)N(C)CC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925716924 696196067 /nfs/dbraw/zinc/19/60/67/696196067.db2.gz SSSCXSMJGJOWDF-GHMZBOCLSA-N 2 0 257.378 1.180 10 0 CDAERP C[NH2+]Cc1cccc(NC(=O)CCC23CC(C2)C[NH2+]3)c1 ZINC000870932647 696218895 /nfs/dbraw/zinc/21/88/95/696218895.db2.gz IYNAEFFWXYNQIK-UHFFFAOYSA-N 2 0 273.380 1.877 10 0 CDAERP C[C@H]1C[C@H]([NH2+]CCCO)CCN1C(=O)CCCC[NH+](C)C ZINC001699738754 1158530314 /nfs/dbraw/zinc/53/03/14/1158530314.db2.gz MHBSISNSMZNBAW-LSDHHAIUSA-N 2 0 299.459 1.070 10 0 CDAERP CCOCC[N@@H+]1CC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001670730144 1158752273 /nfs/dbraw/zinc/75/22/73/1158752273.db2.gz SULMNURCUUODII-HNNXBMFYSA-N 2 0 297.443 1.089 10 0 CDAERP CC[NH2+]CC1CC[NH+](Cc2nn(C)cc2C)CC1 ZINC000723964230 1158970739 /nfs/dbraw/zinc/97/07/39/1158970739.db2.gz MVYYPZARKOZZCB-UHFFFAOYSA-N 2 0 250.390 1.550 10 0 CDAERP O=C1CC2(CCC2)[N@H+](CC[C@@H]2CCC[NH2+]C2)CCN1 ZINC000872158159 1165388733 /nfs/dbraw/zinc/38/87/33/1165388733.db2.gz XZVIOKNLKBKJHS-ZDUSSCGKSA-N 2 0 265.401 1.121 10 0 CDAERP c1cc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(C2CC2)c[nH+]1 ZINC000872432011 1165431058 /nfs/dbraw/zinc/43/10/58/1165431058.db2.gz KIZGYZOWNFLJPL-KGLIPLIRSA-N 2 0 273.380 1.656 10 0 CDAERP CC[C@H]1C[N@H+](C)CCCN1C(=O)[C@@H]1CCN1CC ZINC001634418016 1166498892 /nfs/dbraw/zinc/49/88/92/1166498892.db2.gz RQIRXVUKZBNBER-STQMWFEESA-N 2 0 253.390 1.023 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C(C)C ZINC000353908778 1167335567 /nfs/dbraw/zinc/33/55/67/1167335567.db2.gz VWJINUHVZBAWCK-KBPBESRZSA-N 2 0 269.433 1.563 10 0 CDAERP C[C@H](C(=O)NCCC[N@H+](C)CCF)[NH+]1CCCCCC1 ZINC001566498103 1168310661 /nfs/dbraw/zinc/31/06/61/1168310661.db2.gz UHIDELQWIDMILT-CQSZACIVSA-N 2 0 287.423 1.659 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC001647248511 1168488977 /nfs/dbraw/zinc/48/89/77/1168488977.db2.gz SBNXBGRDTYNONY-HUUCEWRRSA-N 2 0 288.395 1.248 10 0 CDAERP CCC[N@H+](C)CC(=O)NCC[NH+](C)CC=C(C)C ZINC001567313940 1168675057 /nfs/dbraw/zinc/67/50/57/1168675057.db2.gz DFHUOJPQUNFKDL-UHFFFAOYSA-N 2 0 255.406 1.342 10 0 CDAERP C[C@H](C[NH2+]CCF)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001569002678 1169588740 /nfs/dbraw/zinc/58/87/40/1169588740.db2.gz JDWBIDHLTRCCAB-GFCCVEGCSA-N 2 0 287.423 1.703 10 0 CDAERP C[C@@H]([NH2+]CCCF)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001569820121 1170005389 /nfs/dbraw/zinc/00/53/89/1170005389.db2.gz PYZPFRMMWNLTMC-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001569847699 1170015458 /nfs/dbraw/zinc/01/54/58/1170015458.db2.gz WVEWUOJCZANRCU-QWHCGFSZSA-N 2 0 255.406 1.032 10 0 CDAERP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1[NH2+]CCCF ZINC001570351368 1170140551 /nfs/dbraw/zinc/14/05/51/1170140551.db2.gz FMNORBIEBXWTRG-OLZOCXBDSA-N 2 0 273.396 1.124 10 0 CDAERP CC[N@H+]1[C@H](C)CN(C(=O)[C@@H](C)CC[NH+](C)C)C[C@@H]1C ZINC001570900976 1170315421 /nfs/dbraw/zinc/31/54/21/1170315421.db2.gz FJCWMHIKDUXLTC-MELADBBJSA-N 2 0 269.433 1.515 10 0 CDAERP CC[N@@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001570909968 1170318365 /nfs/dbraw/zinc/31/83/65/1170318365.db2.gz UMJGMIHMBGXDDY-LBPRGKRZSA-N 2 0 255.406 1.173 10 0 CDAERP CCCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001571392683 1170406828 /nfs/dbraw/zinc/40/68/28/1170406828.db2.gz BSGIVMTULCIVPT-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001661686301 1172427129 /nfs/dbraw/zinc/42/71/29/1172427129.db2.gz KPYDUDVAUZGMQE-IYBDPMFKSA-N 2 0 293.455 1.899 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NCCC[NH+]1CCCCC1 ZINC001587365055 1172984215 /nfs/dbraw/zinc/98/42/15/1172984215.db2.gz XSMICZCIJGZZKA-AWEZNQCLSA-N 2 0 269.433 1.566 10 0 CDAERP CCCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001667118151 1173236350 /nfs/dbraw/zinc/23/63/50/1173236350.db2.gz LPHBPDTXTASFEM-LSDHHAIUSA-N 2 0 283.460 1.859 10 0 CDAERP CC[NH2+]C[C@@H](CC(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001667113461 1173236794 /nfs/dbraw/zinc/23/67/94/1173236794.db2.gz XPFKVMHLNADJES-CYBMUJFWSA-N 2 0 267.417 1.223 10 0 CDAERP CC[NH2+]CC[C@@H](C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001668215252 1173382087 /nfs/dbraw/zinc/38/20/87/1173382087.db2.gz ZDVVNGIWMDMNIC-DOMZBBRYSA-N 2 0 287.423 1.703 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]C(C)C ZINC001674196501 1173923052 /nfs/dbraw/zinc/92/30/52/1173923052.db2.gz KEUQYRRZPOPSKP-KBPBESRZSA-N 2 0 269.433 1.754 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)[NH+](C)C ZINC001598331424 1174313734 /nfs/dbraw/zinc/31/37/34/1174313734.db2.gz ICTAVTPGJHJESU-FRRDWIJNSA-N 2 0 255.406 1.173 10 0 CDAERP CC(C)(C(=O)N1CCC[C@@H](C[NH2+]CCF)C1)[NH+]1CCCC1 ZINC001690418137 1175466280 /nfs/dbraw/zinc/46/62/80/1175466280.db2.gz LBCDFPALZCEVJG-AWEZNQCLSA-N 2 0 299.434 1.659 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCCOCC ZINC001692382134 1175756581 /nfs/dbraw/zinc/75/65/81/1175756581.db2.gz AEVMRHRSXJVKDK-GJZGRUSLSA-N 2 0 297.443 1.040 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H](CC[NH2+]CC2CCC2)C1 ZINC001698680473 1175893634 /nfs/dbraw/zinc/89/36/34/1175893634.db2.gz ZUZZKLXWYRGHKR-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP CC[NH2+]CC[C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001698683570 1175893678 /nfs/dbraw/zinc/89/36/78/1175893678.db2.gz QPMOEVSQSQXFIW-CABCVRRESA-N 2 0 281.444 1.566 10 0 CDAERP C[C@@H](CC[NH2+]CCO)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001699113318 1176099618 /nfs/dbraw/zinc/09/96/18/1176099618.db2.gz SNSCYDLIFIYVCH-ZDUSSCGKSA-N 2 0 299.459 1.116 10 0 CDAERP C[C@@H](CC[NH2+]CC1CC(C)C1)NC(=O)C[NH+]1CCCC1 ZINC001699163338 1176117700 /nfs/dbraw/zinc/11/77/00/1176117700.db2.gz KJGNLHMOEADBEY-SLTAFYQDSA-N 2 0 281.444 1.613 10 0 CDAERP O=C(C[NH+]1CCCC1)NC/C=C/C[NH2+]Cc1ccccc1 ZINC001699363527 1176319021 /nfs/dbraw/zinc/31/90/21/1176319021.db2.gz PFRJPYWADRHJKJ-SNAWJCMRSA-N 2 0 287.407 1.544 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C)C[NH2+]CCC(F)(F)F)[NH+](C)C ZINC001699380146 1176339298 /nfs/dbraw/zinc/33/92/98/1176339298.db2.gz AGJROTIKEHUBQD-ZJUUUORDSA-N 2 0 283.338 1.373 10 0 CDAERP CCC[NH2+]C[C@H](C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001699422252 1176386327 /nfs/dbraw/zinc/38/63/27/1176386327.db2.gz IYDPPOMDDUNUHB-SWLSCSKDSA-N 2 0 287.423 1.703 10 0 CDAERP CN(CCC[NH2+]CC1CC1)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001699545639 1176468578 /nfs/dbraw/zinc/46/85/78/1176468578.db2.gz XZAINWOZNUZCCR-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](C(=O)N[C@]1(C)CC[N@@H+](C(C)C)C1)[NH+](C)C ZINC001699818486 1176640318 /nfs/dbraw/zinc/64/03/18/1176640318.db2.gz BLFJGNYDSOFOIE-TZMCWYRMSA-N 2 0 255.406 1.316 10 0 CDAERP CCC[NH2+]C[C@]1(C)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001699854991 1176657029 /nfs/dbraw/zinc/65/70/29/1176657029.db2.gz XYMUPWUDNGYWIA-ZBFHGGJFSA-N 2 0 281.444 1.566 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N(C)CC(C)(C)C[NH2+]CCF)C1 ZINC001700445999 1176932532 /nfs/dbraw/zinc/93/25/32/1176932532.db2.gz VNEQUJKMJQBPTH-ZDUSSCGKSA-N 2 0 287.423 1.372 10 0 CDAERP CC[NH2+][C@@H](C)CN(C)C(=O)[C@H](CC)[NH+](CC)CC ZINC001700769684 1177123557 /nfs/dbraw/zinc/12/35/57/1177123557.db2.gz DHLYZFNBUAAPCB-STQMWFEESA-N 2 0 257.422 1.563 10 0 CDAERP C[C@H]1C[C@H]([NH2+]CCCF)CN1C(=O)CCC[NH+](C)C ZINC001700843449 1177162691 /nfs/dbraw/zinc/16/26/91/1177162691.db2.gz VQDJBFDHTHMUFG-STQMWFEESA-N 2 0 273.396 1.267 10 0 CDAERP CCC[NH+]1CCC([C@@H](C)NC(=O)CC[NH+](C)C)CC1 ZINC001701007033 1177237846 /nfs/dbraw/zinc/23/78/46/1177237846.db2.gz QZGPJMBFGGIXIH-CYBMUJFWSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)CC[N@H+](C)CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001712951632 1178261212 /nfs/dbraw/zinc/26/12/12/1178261212.db2.gz VLLMIMIWKCZQOW-UHFFFAOYSA-N 2 0 283.460 1.955 10 0 CDAERP COCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+](C)C ZINC001713143252 1178392153 /nfs/dbraw/zinc/39/21/53/1178392153.db2.gz XPBDHLIPVWCSBS-GASCZTMLSA-N 2 0 297.443 1.040 10 0 CDAERP COCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001713202335 1178428213 /nfs/dbraw/zinc/42/82/13/1178428213.db2.gz APXIAISNBMCVRA-SOUVJXGZSA-N 2 0 297.443 1.134 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001713238104 1178448486 /nfs/dbraw/zinc/44/84/86/1178448486.db2.gz CVPSZIMISJIKLV-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP CC/C=C\CC[NH2+]CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001713592490 1178674039 /nfs/dbraw/zinc/67/40/39/1178674039.db2.gz WUDVYQXWKNCWDF-YIEVGGLXSA-N 2 0 293.455 1.733 10 0 CDAERP CC[C@@H](C(=O)N(C)CC[NH2+]Cc1cc(C)ns1)[NH+](C)C ZINC001713636229 1178691256 /nfs/dbraw/zinc/69/12/56/1178691256.db2.gz YTBKKKASYDNRMY-ZDUSSCGKSA-N 2 0 298.456 1.340 10 0 CDAERP CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001714018886 1178929706 /nfs/dbraw/zinc/92/97/06/1178929706.db2.gz XCXNJTIRLVBWFP-GASCZTMLSA-N 2 0 281.444 1.899 10 0 CDAERP COCCCC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001714023948 1178931638 /nfs/dbraw/zinc/93/16/38/1178931638.db2.gz AXKYBNPAFXDSHE-OAHLLOKOSA-N 2 0 297.443 1.042 10 0 CDAERP C[NH+](C)CCCC(=O)NC1CCC([NH2+]CCCF)CC1 ZINC001714195231 1179009179 /nfs/dbraw/zinc/00/91/79/1179009179.db2.gz UXUSUEATZYYKMX-UHFFFAOYSA-N 2 0 287.423 1.705 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@@H](C[NH2+]CCC(C)(C)C)C1 ZINC001714363737 1179106412 /nfs/dbraw/zinc/10/64/12/1179106412.db2.gz GDVWYJXMBYIQSG-AWEZNQCLSA-N 2 0 283.460 1.812 10 0 CDAERP O=C(NCCC[C@@H]1CCC[N@H+]1CCF)C12CC[NH+](CC1)C2 ZINC001714539652 1179195735 /nfs/dbraw/zinc/19/57/35/1179195735.db2.gz WBLFMEMHFVVVRH-CQSZACIVSA-N 2 0 297.418 1.413 10 0 CDAERP CCOCC[NH2+]CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001714725050 1179359707 /nfs/dbraw/zinc/35/97/07/1179359707.db2.gz RGLFUUSNMZJDCP-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CN(CC[NH2+]CCF)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001714779626 1179391175 /nfs/dbraw/zinc/39/11/75/1179391175.db2.gz FPYMXAKRPASTTC-QWHCGFSZSA-N 2 0 273.396 1.124 10 0 CDAERP CCC[NH2+]CCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001714781965 1179395549 /nfs/dbraw/zinc/39/55/49/1179395549.db2.gz ZAYYFMLMUUCCKW-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001715266996 1179601816 /nfs/dbraw/zinc/60/18/16/1179601816.db2.gz CURVJDVTQPPIEQ-CHWSQXEVSA-N 2 0 285.407 1.172 10 0 CDAERP C[C@H](C[NH2+]CCF)N(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001715360133 1179641414 /nfs/dbraw/zinc/64/14/14/1179641414.db2.gz ADDWVAVMGQBFSI-CYBMUJFWSA-N 2 0 295.402 1.768 10 0 CDAERP CC(C)[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001715642973 1179749906 /nfs/dbraw/zinc/74/99/06/1179749906.db2.gz BKMPQOGRPOMBAU-UONOGXRCSA-N 2 0 269.433 1.752 10 0 CDAERP CC(C)=CC[NH2+]CC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001715701558 1179769161 /nfs/dbraw/zinc/76/91/61/1179769161.db2.gz QALJGBCJTZYBPB-AWEZNQCLSA-N 2 0 279.428 1.533 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC1CCC1 ZINC001715833100 1179857221 /nfs/dbraw/zinc/85/72/21/1179857221.db2.gz HNBZTTCUQFRUTJ-NHZBNJEXSA-N 2 0 279.428 1.533 10 0 CDAERP C[C@@H](C[NH2+]CC1=CCCCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001716002758 1179977257 /nfs/dbraw/zinc/97/72/57/1179977257.db2.gz URGAZHVVIYAXHQ-AWEZNQCLSA-N 2 0 291.439 1.677 10 0 CDAERP CCC[NH2+]C[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001716007162 1179979582 /nfs/dbraw/zinc/97/95/82/1179979582.db2.gz IXCFNXLXDSGEKH-AWEZNQCLSA-N 2 0 269.433 1.757 10 0 CDAERP CC[C@@H](C)C[NH2+]CC[C@@H](C)NC(=O)Cc1c[nH]cn1 ZINC001716177045 1180083957 /nfs/dbraw/zinc/08/39/57/1180083957.db2.gz SZSNUXZSOTVEBK-VXGBXAGGSA-N 2 0 266.389 1.483 10 0 CDAERP CCN(CC[NH2+]CC1CCC1)C(=O)C12CCC[NH+]1CCC2 ZINC001716227566 1180110147 /nfs/dbraw/zinc/11/01/47/1180110147.db2.gz YDFWWUMHGMFVAB-UHFFFAOYSA-N 2 0 293.455 1.853 10 0 CDAERP CC[C@@H](F)C[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001716253868 1180122080 /nfs/dbraw/zinc/12/20/80/1180122080.db2.gz LIFXEIXQSWZDOH-CHWSQXEVSA-N 2 0 273.396 1.124 10 0 CDAERP COCCC[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001716437062 1180209736 /nfs/dbraw/zinc/20/97/36/1180209736.db2.gz SMLBDIUFEQWMNB-AWEZNQCLSA-N 2 0 299.459 1.382 10 0 CDAERP C[C@@H](C[NH2+]C/C=C\Cl)NC(=O)CCC[NH+](C)C ZINC001716449849 1180216871 /nfs/dbraw/zinc/21/68/71/1180216871.db2.gz CASYBUSRIMDEQC-XOIDGJRKSA-N 2 0 261.797 1.175 10 0 CDAERP CC(C)[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001716517850 1180263883 /nfs/dbraw/zinc/26/38/83/1180263883.db2.gz IAYHNZLAYXMDID-ZIAGYGMSSA-N 2 0 269.433 1.611 10 0 CDAERP CC[C@H](C[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)OC ZINC001716542845 1180277668 /nfs/dbraw/zinc/27/76/68/1180277668.db2.gz VKWWGXKHWKVJPW-RBSFLKMASA-N 2 0 299.459 1.190 10 0 CDAERP CCOCCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001717293382 1180607957 /nfs/dbraw/zinc/60/79/57/1180607957.db2.gz LCUBTQNRZDGBMN-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)[NH2+][C@H](C)[C@@H](C)NC(=O)CCc1c[nH]cn1 ZINC001717412995 1180659297 /nfs/dbraw/zinc/65/92/97/1180659297.db2.gz NMKUEMJBRQBENV-GHMZBOCLSA-N 2 0 252.362 1.234 10 0 CDAERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H](C)[NH2+]CCOC1CCC1 ZINC001717442034 1180674987 /nfs/dbraw/zinc/67/49/87/1180674987.db2.gz PWCHZBVHQDNAEV-ZIAGYGMSSA-N 2 0 297.443 1.134 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C1C[NH+](CC)C1)[NH+](CC)CC ZINC001717555449 1180738007 /nfs/dbraw/zinc/73/80/07/1180738007.db2.gz AKOGRILCDZTKIT-TZMCWYRMSA-N 2 0 269.433 1.563 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCCF)C[C@H]1C ZINC001717827170 1180882015 /nfs/dbraw/zinc/88/20/15/1180882015.db2.gz GUNLNQFEOFFCEH-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)CC[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001723589807 1181590793 /nfs/dbraw/zinc/59/07/93/1181590793.db2.gz OQIJVRKPTDRUJF-UHFFFAOYSA-N 2 0 267.417 1.367 10 0 CDAERP CC(C)CC[NH2+]CC1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001725073542 1181846078 /nfs/dbraw/zinc/84/60/78/1181846078.db2.gz VGLLUCSEUCNNOX-SHARSMKWSA-N 2 0 281.444 1.469 10 0 CDAERP CCOCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001725160726 1181894218 /nfs/dbraw/zinc/89/42/18/1181894218.db2.gz LDYHIHAYMMRTNW-QLFBSQMISA-N 2 0 299.459 1.190 10 0 CDAERP COCC[NH2+]C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001725754068 1182121862 /nfs/dbraw/zinc/12/18/62/1182121862.db2.gz ZAVAFLCQULAOBQ-UONOGXRCSA-N 2 0 299.459 1.095 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)NCC1=CC[N@@H+](C(C)C)CC1 ZINC001725815931 1182142016 /nfs/dbraw/zinc/14/20/16/1182142016.db2.gz NWWPASXRGNHCHG-HNNXBMFYSA-N 2 0 299.434 1.823 10 0 CDAERP CCC[N@H+](C)CCCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001731247498 1182272928 /nfs/dbraw/zinc/27/29/28/1182272928.db2.gz FZKFYFKMMPYLDQ-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001731245234 1182274382 /nfs/dbraw/zinc/27/43/82/1182274382.db2.gz IXZGODOHZKVTJK-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@@H](F)C[N@H+](CC)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001731322539 1182318614 /nfs/dbraw/zinc/31/86/14/1182318614.db2.gz KKXBACYQCQYWNV-CQSZACIVSA-N 2 0 299.434 1.659 10 0 CDAERP CCCCC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001731410280 1182369684 /nfs/dbraw/zinc/36/96/84/1182369684.db2.gz DNZKKUNSQJRAHC-CABCVRRESA-N 2 0 281.444 1.613 10 0 CDAERP O=C(Cc1c[nH]cn1)NCCC[C@@H]1CCC[N@@H+]1CC1CC1 ZINC001731755682 1182550974 /nfs/dbraw/zinc/55/09/74/1182550974.db2.gz APBIFMWBUGITRS-OAHLLOKOSA-N 2 0 290.411 1.723 10 0 CDAERP CC[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001731918752 1182677573 /nfs/dbraw/zinc/67/75/73/1182677573.db2.gz YGAZCDUZYXMHSZ-CQSZACIVSA-N 2 0 267.417 1.461 10 0 CDAERP CC(C)C[NH2+]CCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001731942772 1182691392 /nfs/dbraw/zinc/69/13/92/1182691392.db2.gz APMHDEDIGZUQNJ-CABCVRRESA-N 2 0 281.444 1.707 10 0 CDAERP CN(CC[NH2+]CC1CCCCC1)C(=O)C[NH+]1CCCC1 ZINC001731985865 1182713928 /nfs/dbraw/zinc/71/39/28/1182713928.db2.gz VIWFTBNLEWMWLZ-UHFFFAOYSA-N 2 0 281.444 1.711 10 0 CDAERP C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@@H]1C[NH2+]CCF ZINC001732549190 1183004571 /nfs/dbraw/zinc/00/45/71/1183004571.db2.gz VDUYYYGCODTXET-UONOGXRCSA-N 2 0 285.407 1.268 10 0 CDAERP CC[NH2+]C/C=C/CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001732943266 1183192797 /nfs/dbraw/zinc/19/27/97/1183192797.db2.gz NYPZYQVCNPXCRX-LFAOLKIESA-N 2 0 281.444 1.779 10 0 CDAERP CC[NH2+]CCCN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001733113204 1183295004 /nfs/dbraw/zinc/29/50/04/1183295004.db2.gz SVZAUGZVSTXDLH-UHFFFAOYSA-N 2 0 287.367 1.339 10 0 CDAERP CCCCC[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001733262848 1183375955 /nfs/dbraw/zinc/37/59/55/1183375955.db2.gz JYOWENLBSJHTTI-UHFFFAOYSA-N 2 0 279.428 1.511 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001733347000 1183404856 /nfs/dbraw/zinc/40/48/56/1183404856.db2.gz PKUNFHXUQBXBBO-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP COCCCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001733990869 1183604906 /nfs/dbraw/zinc/60/49/06/1183604906.db2.gz POGIANDZLHXFSG-UONOGXRCSA-N 2 0 299.459 1.238 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H](C)[NH2+]CC1CC1 ZINC001733998180 1183607390 /nfs/dbraw/zinc/60/73/90/1183607390.db2.gz ASCMEISTMHCJKI-VXGBXAGGSA-N 2 0 255.406 1.221 10 0 CDAERP CC[NH2+]C[C@H]1C[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001734219075 1183695589 /nfs/dbraw/zinc/69/55/89/1183695589.db2.gz IPWNQGNXIFGRQU-JOCQHMNTSA-N 2 0 255.406 1.223 10 0 CDAERP C[C@@H](CCC[NH2+]CCCF)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001734229188 1183698803 /nfs/dbraw/zinc/69/88/03/1183698803.db2.gz JZHFTYAYUPSFOO-STQMWFEESA-N 2 0 273.396 1.315 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001734323896 1183731114 /nfs/dbraw/zinc/73/11/14/1183731114.db2.gz SNIAPXQXUNVRCM-HOCLYGCPSA-N 2 0 293.455 1.731 10 0 CDAERP CCC[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001734335744 1183737545 /nfs/dbraw/zinc/73/75/45/1183737545.db2.gz DQCGBBMQJJNNQG-ZDUSSCGKSA-N 2 0 269.433 1.707 10 0 CDAERP CCCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC001734401158 1183763626 /nfs/dbraw/zinc/76/36/26/1183763626.db2.gz XNJJEPASQBYJGS-UKRRQHHQSA-N 2 0 281.444 1.707 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)CCCCC[NH3+])[C@@H](C)C1 ZINC000249054781 725354692 /nfs/dbraw/zinc/35/46/92/725354692.db2.gz DCFDGTFVTIGQRQ-KBPBESRZSA-N 2 0 269.433 1.694 10 0 CDAERP O[C@H](C[NH2+]CC[C@@H]1CCSC1)C[NH+]1CCCC1 ZINC000704842275 725378498 /nfs/dbraw/zinc/37/84/98/725378498.db2.gz SBYTXHRVHDNIAV-CHWSQXEVSA-N 2 0 258.431 1.176 10 0 CDAERP COC[C@@H](CC1CCOCC1)[NH2+]CCN1CCC[C@H]1C ZINC000850438218 725379774 /nfs/dbraw/zinc/37/97/74/725379774.db2.gz CRQLRRXVQWGZJL-GDBMZVCRSA-N 2 0 284.444 1.892 10 0 CDAERP C[NH+]1CCC(C[NH2+][C@H]2CCCc3[nH]c(=O)ccc32)CC1 ZINC000128769734 724421057 /nfs/dbraw/zinc/42/10/57/724421057.db2.gz HVQSLPYVNNAOMN-AWEZNQCLSA-N 2 0 275.396 1.684 10 0 CDAERP COC(=O)C1=CC[C@H]([NH2+][C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000863540770 724426223 /nfs/dbraw/zinc/42/62/23/724426223.db2.gz DIYVQJXXKYMPQH-AVGNSLFASA-N 2 0 252.358 1.498 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@]1(C)CC1(Cl)Cl ZINC000817935734 724433372 /nfs/dbraw/zinc/43/33/72/724433372.db2.gz DCYCDIKSROTFDW-UWVGGRQHSA-N 2 0 269.216 1.914 10 0 CDAERP C[N@H+](CCNC(=O)CCC12CC(C1)C[NH2+]2)C1CCCCC1 ZINC000870874610 723692127 /nfs/dbraw/zinc/69/21/27/723692127.db2.gz QFIAZGBACWKGNC-UHFFFAOYSA-N 2 0 293.455 1.899 10 0 CDAERP NC(=O)CC1CC([NH2+][C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925820004 723694114 /nfs/dbraw/zinc/69/41/14/723694114.db2.gz BLTHYCNTLGZKMP-ZALBZXLWSA-N 2 0 275.396 1.710 10 0 CDAERP CC[C@H]1CN(C(=O)CCC23CC(C2)C[NH2+]3)CC[C@H]1[NH3+] ZINC000870939995 723694143 /nfs/dbraw/zinc/69/41/43/723694143.db2.gz GDKQCBHDCBXHLH-SBEAFCBVSA-N 2 0 265.401 1.104 10 0 CDAERP CC[C@H](C)NC(=O)CC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925483227 723710776 /nfs/dbraw/zinc/71/07/76/723710776.db2.gz XIPJDBNBBSPPEF-NEBZKDRISA-N 2 0 281.444 1.657 10 0 CDAERP C[C@@H](CNC(=O)CCC12CC(C1)C[NH2+]2)[NH+]1CCCCC1 ZINC000870871157 723745426 /nfs/dbraw/zinc/74/54/26/723745426.db2.gz ZATSVCKWLFVCCG-HLIUYOAVSA-N 2 0 279.428 1.509 10 0 CDAERP [NH3+]C1(c2noc(/C=C\[C@@H]3CCC[NH2+]C3)n2)CCCC1 ZINC000871787026 723749346 /nfs/dbraw/zinc/74/93/46/723749346.db2.gz PAMZZKSPUPHFFA-GZTOBOFZSA-N 2 0 262.357 1.810 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C[C@@H]([NH3+])C1CC1 ZINC000228540420 723750681 /nfs/dbraw/zinc/75/06/81/723750681.db2.gz IHXMAEMSKDUHNS-MRVWCRGKSA-N 2 0 265.401 1.199 10 0 CDAERP C(C1CC1)[NH+](CC1CC1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923316183 723760327 /nfs/dbraw/zinc/76/03/27/723760327.db2.gz NCSUPCOGMFWYJK-AWEZNQCLSA-N 2 0 250.386 1.487 10 0 CDAERP C([NH2+]CC1CC1)c1nc([C@H]2CN3CCC[C@H]3CO2)no1 ZINC000091685928 723760345 /nfs/dbraw/zinc/76/03/45/723760345.db2.gz AFGXMGWRVQAILX-NWDGAFQWSA-N 2 0 278.356 1.105 10 0 CDAERP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000716630958 723761317 /nfs/dbraw/zinc/76/13/17/723761317.db2.gz ATXVWUZIFINLON-SOMZYNEFSA-N 2 0 252.402 1.323 10 0 CDAERP [NH3+]CCCCCCC[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872150221 723764633 /nfs/dbraw/zinc/76/46/33/723764633.db2.gz DVLRSBYOCJEDBU-NWDGAFQWSA-N 3 0 281.366 1.965 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[C@@H]([NH3+])C1)[NH+]1CCCCC1 ZINC000227814705 723774384 /nfs/dbraw/zinc/77/43/84/723774384.db2.gz HHBXFOQCOCKVGL-FRRDWIJNSA-N 2 0 253.390 1.104 10 0 CDAERP C[N@H+](CCCO)C1CCN(CCc2ccns2)CC1 ZINC000929656462 723804866 /nfs/dbraw/zinc/80/48/66/723804866.db2.gz GEORWVNPAAKSKW-UHFFFAOYSA-N 2 0 283.441 1.464 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)C1 ZINC000870914960 723814452 /nfs/dbraw/zinc/81/44/52/723814452.db2.gz YELQNSHFKLCQRT-OWVAZHOYSA-N 2 0 291.439 1.352 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1nn(CC)nc1C ZINC000925240019 723820855 /nfs/dbraw/zinc/82/08/55/723820855.db2.gz HLFUIDZWOGQTGQ-TZMCWYRMSA-N 2 0 297.447 1.614 10 0 CDAERP C[C@@H]1CC[C@H]([NH2+]CCCN(C)CC[NH+](C)C)CS1 ZINC000857784104 723846953 /nfs/dbraw/zinc/84/69/53/723846953.db2.gz QSNLVDBCQMAALL-KGLIPLIRSA-N 2 0 273.490 1.744 10 0 CDAERP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCOC23CCOCC3)C1 ZINC000924755977 723873364 /nfs/dbraw/zinc/87/33/64/723873364.db2.gz XXHMYTWFZOBYLV-CABCVRRESA-N 2 0 282.428 1.646 10 0 CDAERP Cn1cc(CCC[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)cn1 ZINC000925576445 723876925 /nfs/dbraw/zinc/87/69/25/723876925.db2.gz IKHVDVIGYVVPRU-ZIAGYGMSSA-N 2 0 264.417 1.848 10 0 CDAERP CCC[NH+]1CCC(CNC(=[NH2+])N(C)CCOC)CC1 ZINC000871603949 723882064 /nfs/dbraw/zinc/88/20/64/723882064.db2.gz NPAVUIXUPOABEB-UHFFFAOYSA-N 2 0 270.421 1.211 10 0 CDAERP CC(C)(C[NH3+])C1CC[NH+](CCOC[C@@H]2CCCO2)CC1 ZINC000714401329 723886014 /nfs/dbraw/zinc/88/60/14/723886014.db2.gz ZZLBWSXQBMDBHN-HNNXBMFYSA-N 2 0 284.444 1.879 10 0 CDAERP CC(C)n1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)n1 ZINC000923498388 723890157 /nfs/dbraw/zinc/89/01/57/723890157.db2.gz PEEBGGLCMODKLQ-STQMWFEESA-N 2 0 250.390 1.881 10 0 CDAERP c1[nH]nc2c1[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@H]3C1)CCC2 ZINC000817986405 723930554 /nfs/dbraw/zinc/93/05/54/723930554.db2.gz LRJBBKYKWSPLBV-FMCLSXCISA-N 2 0 260.385 1.765 10 0 CDAERP CC[C@H]([NH2+]CCN1CCC([NH3+])CC1)C1CCCC1 ZINC000925817903 723932835 /nfs/dbraw/zinc/93/28/35/723932835.db2.gz XJLMMHSNVUWMSN-HNNXBMFYSA-N 2 0 253.434 1.968 10 0 CDAERP C[NH+]1CCN(CCC[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)CC1 ZINC000924579131 724022241 /nfs/dbraw/zinc/02/22/41/724022241.db2.gz VXXFLOCXCBRQEF-IAGOWNOFSA-N 2 0 295.471 1.419 10 0 CDAERP C(COC1CCOCC1)[NH2+][C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000925877623 724032413 /nfs/dbraw/zinc/03/24/13/724032413.db2.gz KNTFIPUWECILMZ-PMPSAXMXSA-N 2 0 282.428 1.692 10 0 CDAERP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccns1 ZINC000716022644 724096496 /nfs/dbraw/zinc/09/64/96/724096496.db2.gz NXLXVJMBVRRDDK-GFCCVEGCSA-N 2 0 268.430 1.431 10 0 CDAERP [NH3+][C@H](CCN[C@H]1C[C@@H]([NH3+])C12CCC2)Cc1ccccc1 ZINC000925726386 724109270 /nfs/dbraw/zinc/10/92/70/724109270.db2.gz SISOXWMLWUBKLV-OAGGEKHMSA-N 2 0 273.424 1.806 10 0 CDAERP Cn1nccc1CC[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000872145201 724210311 /nfs/dbraw/zinc/21/03/11/724210311.db2.gz NOOQPCWECQIANB-HNNXBMFYSA-N 2 0 264.417 1.660 10 0 CDAERP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H]2CN3C[C@@H]2CCC3)C1 ZINC000926574103 724243071 /nfs/dbraw/zinc/24/30/71/724243071.db2.gz SBYFLFGXYVZUMC-KKUMJFAQSA-N 2 0 251.418 1.402 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000810201675 724281709 /nfs/dbraw/zinc/28/17/09/724281709.db2.gz LOSGIVCZRNBVTF-BLLLJJGKSA-N 2 0 297.418 1.552 10 0 CDAERP OCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000309811020 724334792 /nfs/dbraw/zinc/33/47/92/724334792.db2.gz WLYNKQYAHRGXSE-OWCLPIDISA-N 2 0 260.381 1.479 10 0 CDAERP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)C(C)(C)CO ZINC000924967606 724346344 /nfs/dbraw/zinc/34/63/44/724346344.db2.gz ZKPRYUYUGBMRPL-AWEZNQCLSA-N 2 0 271.449 1.011 10 0 CDAERP CO[C@H]1C[C@@H](C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000721962689 724375421 /nfs/dbraw/zinc/37/54/21/724375421.db2.gz NVPZPPAIKSERCG-NNYUYHANSA-N 2 0 280.334 1.871 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCCc2cccnc21 ZINC000925871974 724456864 /nfs/dbraw/zinc/45/68/64/724456864.db2.gz MUBQGRQDRZOKCQ-MXAVVETBSA-N 2 0 275.396 1.801 10 0 CDAERP C[N@@H+]1CCN(C(=O)CC2CC[NH2+]CC2)CCC1(C)C ZINC000712678968 724457810 /nfs/dbraw/zinc/45/78/10/724457810.db2.gz RIRPTKQNIUUPTC-UHFFFAOYSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@@H]([NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)C1CC[NH2+]CC1 ZINC000925728588 724458062 /nfs/dbraw/zinc/45/80/62/724458062.db2.gz LEDLCUKQMUSOEE-XBFCOCLRSA-N 3 0 253.434 1.870 10 0 CDAERP CCC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001480680619 956499320 /nfs/dbraw/zinc/49/93/20/956499320.db2.gz NQHPEVNITOARFP-CYBMUJFWSA-N 2 0 255.406 1.175 10 0 CDAERP CCc1noc([C@H](C)[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)n1 ZINC000923502233 725414683 /nfs/dbraw/zinc/41/46/83/725414683.db2.gz YFRDMJJQHCPEBR-GARJFASQSA-N 2 0 252.362 1.610 10 0 CDAERP CC1(C)C[NH2+]CC[C@H]1[NH2+]C[C@@H](O)CC1CCCC1 ZINC000923369231 724517826 /nfs/dbraw/zinc/51/78/26/724517826.db2.gz IXWSWDYIFJIJKR-UONOGXRCSA-N 2 0 254.418 1.905 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000870887343 724591906 /nfs/dbraw/zinc/59/19/06/724591906.db2.gz XMSPVQSZPJUKSA-FIXISWKDSA-N 2 0 283.335 1.333 10 0 CDAERP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000713109270 724627077 /nfs/dbraw/zinc/62/70/77/724627077.db2.gz BMKHKSYVTUJXME-NWDGAFQWSA-N 2 0 257.422 1.452 10 0 CDAERP Cc1cccc(NC(=[NH2+])NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000849000435 724657809 /nfs/dbraw/zinc/65/78/09/724657809.db2.gz TUDFJGNXVGOGMS-HUUCEWRRSA-N 2 0 288.395 1.794 10 0 CDAERP C[NH+](C)CCCC1CC[NH+](C[C@@H]2CCC3(COC3)O2)CC1 ZINC000930146838 724676251 /nfs/dbraw/zinc/67/62/51/724676251.db2.gz XFAYBBVQMSJAIS-INIZCTEOSA-N 2 0 296.455 1.988 10 0 CDAERP C[C@@H]1C[N@@H+]([C@@H]2CCN(c3ccccc3)C2=O)CC[C@H]1C[NH3+] ZINC000923498690 724702689 /nfs/dbraw/zinc/70/26/89/724702689.db2.gz KVGVHBGKEJNITA-IJEWVQPXSA-N 2 0 287.407 1.709 10 0 CDAERP C[C@H]1C[N@H+](CC(=O)NC2CCCCCC2)CC[C@H]1C[NH3+] ZINC000251659039 724735598 /nfs/dbraw/zinc/73/55/98/724735598.db2.gz GTQARQXZPLAPTD-KBPBESRZSA-N 2 0 281.444 1.742 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000226738935 724763296 /nfs/dbraw/zinc/76/32/96/724763296.db2.gz SCIDFHXLAMMVGG-JHJVBQTASA-N 2 0 253.390 1.104 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925546870 724780941 /nfs/dbraw/zinc/78/09/41/724780941.db2.gz QOVUGCJISHSIKU-JKSUJKDBSA-N 3 0 296.503 1.510 10 0 CDAERP C[C@@H]1CCC[N@H+](CCc2ccc(C(N)=O)cc2)[C@@H]1CC[NH3+] ZINC000866667608 724813190 /nfs/dbraw/zinc/81/31/90/724813190.db2.gz RYOWUVXRQMAQRS-CZUORRHYSA-N 2 0 289.423 1.777 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCCN2CCOC2=O)C1 ZINC000925476390 724828684 /nfs/dbraw/zinc/82/86/84/724828684.db2.gz JNPCQKSASLWEIJ-NWDGAFQWSA-N 2 0 269.389 1.324 10 0 CDAERP CC[N@@H+]1CCCN(Cc2[nH]c(C)nc2C)[C@@H](C)C1 ZINC000724791821 725111556 /nfs/dbraw/zinc/11/15/56/725111556.db2.gz FDURKSKCKODTAT-NSHDSACASA-N 2 0 250.390 1.943 10 0 CDAERP CC(C)[C@H](c1nc([C@@H]2CN3CCC[C@H]3CO2)no1)[C@@H](C)[NH3+] ZINC000252564087 723719358 /nfs/dbraw/zinc/71/93/58/723719358.db2.gz XTFFHTXRFDHEQK-VOAKCMCISA-N 2 0 294.399 1.692 10 0 CDAERP C(C[NH2+]C1CC1)C[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000923308912 723721580 /nfs/dbraw/zinc/72/15/80/723721580.db2.gz JLHBETCPMZHNFO-MRXNPFEDSA-N 2 0 282.428 1.789 10 0 CDAERP [NH3+]CCC[N@H+](CC1CCCC1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923352854 723744355 /nfs/dbraw/zinc/74/43/55/723744355.db2.gz GKIAJVCRVIMGCE-OAHLLOKOSA-N 3 0 281.444 1.206 10 0 CDAERP COCCC[NH+]1CCC(N[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925575985 723765756 /nfs/dbraw/zinc/76/57/56/723765756.db2.gz ICIWUPPIBYZGGN-GOEBONIOSA-N 2 0 297.487 1.983 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)NCCC2CCCCC2)CC[C@@H]1C[NH3+] ZINC000923500269 723831212 /nfs/dbraw/zinc/83/12/12/723831212.db2.gz WFOWNKBWVTUDLM-GDBMZVCRSA-N 2 0 295.471 1.990 10 0 CDAERP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@H]1CC[C@H](C3CC3)O1)C2 ZINC000715395068 723835738 /nfs/dbraw/zinc/83/57/38/723835738.db2.gz PPZKFNYOZILROW-GBJTYRQASA-N 2 0 250.386 1.485 10 0 CDAERP C[N@@H+]1CCN(C(=O)CCCCCC[NH3+])CCC1(C)C ZINC000712687272 723851918 /nfs/dbraw/zinc/85/19/18/723851918.db2.gz XJZODKDVAMBFMZ-UHFFFAOYSA-N 2 0 269.433 1.838 10 0 CDAERP C[C@@H]1CCC[C@@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925846329 723885094 /nfs/dbraw/zinc/88/50/94/723885094.db2.gz RTDDXQARGXLDNR-CABCVRRESA-N 2 0 253.434 1.840 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cccc(-n2cncn2)c1 ZINC000925091744 723948100 /nfs/dbraw/zinc/94/81/00/723948100.db2.gz CIUCEVXAIUHTMD-FKEKPDDDSA-N 2 0 297.406 1.697 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCC[C@H]1CCO ZINC000926226539 723990645 /nfs/dbraw/zinc/99/06/45/723990645.db2.gz VZZKPDDKLREBSV-OFBDQPAMSA-N 2 0 252.402 1.467 10 0 CDAERP COCC[N@H+](C)CCC[NH2+][C@@H]1CCOC[C@@H]1C(C)C ZINC000924653475 724011373 /nfs/dbraw/zinc/01/13/73/724011373.db2.gz KCGPLSSSVWNROX-HUUCEWRRSA-N 2 0 272.433 1.605 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCCc3cn[nH]c32)CC1 ZINC000857846547 724035233 /nfs/dbraw/zinc/03/52/33/724035233.db2.gz CSRBKTNEONRYIY-OAHLLOKOSA-N 2 0 291.443 1.404 10 0 CDAERP Cn1nc2c(c1C[NH2+]Cc1ccc3c[nH+]cn3c1)COCC2 ZINC000922179246 724061588 /nfs/dbraw/zinc/06/15/88/724061588.db2.gz VBQAGHIEDIEZFS-UHFFFAOYSA-N 2 0 297.362 1.430 10 0 CDAERP O[C@@H](C[NH2+]CC[C@H]1CC1(Cl)Cl)C[NH+]1CCCC1 ZINC000863562253 724127669 /nfs/dbraw/zinc/12/76/69/724127669.db2.gz IDTMLTQVFGZAHS-QWRGUYRKSA-N 2 0 281.227 1.617 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1COC2(CCCC2)O1 ZINC000817918427 724160967 /nfs/dbraw/zinc/16/09/67/724160967.db2.gz JKPWBKSDPBKGSA-OLZOCXBDSA-N 2 0 272.389 1.016 10 0 CDAERP CN(C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)C1CCC([NH3+])CC1 ZINC000848604579 724171313 /nfs/dbraw/zinc/17/13/13/724171313.db2.gz DKMYLHQDMUJUNX-AJNFDDFZSA-N 2 0 282.432 1.238 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000872305880 724179957 /nfs/dbraw/zinc/17/99/57/724179957.db2.gz PEPJLKWQRAQBMH-OJKRMQCYSA-N 2 0 277.412 1.247 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)C(C)(C)[C@@H]([NH3+])C(C)C ZINC000713026677 724288658 /nfs/dbraw/zinc/28/86/58/724288658.db2.gz ZGYLGLJBHDPAKR-OLZOCXBDSA-N 2 0 271.449 1.842 10 0 CDAERP CO[C@](C)(CO)C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926661322 724307938 /nfs/dbraw/zinc/30/79/38/724307938.db2.gz JDEDSSUZYMAPAQ-BBRMVZONSA-N 2 0 280.412 1.796 10 0 CDAERP CC1(C)C[NH2+][C@@H]1C(=O)N1c2ccccc2[C@@H]([NH3+])C1(C)C ZINC000867988833 724325487 /nfs/dbraw/zinc/32/54/87/724325487.db2.gz VFSGESFJXMLFKW-CHWSQXEVSA-N 2 0 273.380 1.810 10 0 CDAERP CN1Cc2ccccc2[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000826717566 725061845 /nfs/dbraw/zinc/06/18/45/725061845.db2.gz JFZACEZKLSJELH-LSDHHAIUSA-N 2 0 273.380 1.384 10 0 CDAERP Clc1ccc(SCCN2CC[NH2+]CC[NH2+]CC2)cc1 ZINC000923460167 725080409 /nfs/dbraw/zinc/08/04/09/725080409.db2.gz BVJBAVQIUGTCHW-UHFFFAOYSA-N 2 0 299.871 1.927 10 0 CDAERP C[N@@H+]1CCC[C@@H]2CN(C[C@H](O)c3ccc(F)cn3)CC[C@H]21 ZINC000799305224 725091015 /nfs/dbraw/zinc/09/10/15/725091015.db2.gz QZMSFHVYCDVHBU-WQVCFCJDSA-N 2 0 293.386 1.670 10 0 CDAERP C[NH+](C)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH+](C)C ZINC000705838904 725094492 /nfs/dbraw/zinc/09/44/92/725094492.db2.gz KPPDSOJMJPRKPH-CHWSQXEVSA-N 2 0 285.432 1.593 10 0 CDAERP CCOc1cc(F)cc(C[NH2+]CC2(O)CC[NH+](C)CC2)c1 ZINC000865473854 725099436 /nfs/dbraw/zinc/09/94/36/725099436.db2.gz RWRSARXQTNNPGM-UHFFFAOYSA-N 2 0 296.386 1.771 10 0 CDAERP CCN1CCC([NH2+]C2CCC(CNC(C)=O)CC2)CC1 ZINC000865403731 725106256 /nfs/dbraw/zinc/10/62/56/725106256.db2.gz NKAGJYCXRXXKMS-UHFFFAOYSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1nccs1 ZINC000925843629 725115828 /nfs/dbraw/zinc/11/58/28/725115828.db2.gz GIMSIAPHXXWHMI-ZDUSSCGKSA-N 2 0 282.457 1.869 10 0 CDAERP C[C@H](CNC(=[NH2+])NC1CCCCC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000849047950 725118296 /nfs/dbraw/zinc/11/82/96/725118296.db2.gz AMHWGNZIOAXCIW-MCIONIFRSA-N 2 0 296.459 1.931 10 0 CDAERP CNC(=O)CCC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925599596 725130569 /nfs/dbraw/zinc/13/05/69/725130569.db2.gz CAQMHQIQGNZALU-UONOGXRCSA-N 2 0 267.417 1.271 10 0 CDAERP [NH3+]CC1(CC[NH2+]Cc2cnn(-c3ccccc3)n2)CC1 ZINC000844902878 725156752 /nfs/dbraw/zinc/15/67/52/725156752.db2.gz WAIMJYMMYNSFDG-UHFFFAOYSA-N 2 0 271.368 1.486 10 0 CDAERP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CCOC)C2)ccn1 ZINC000856583808 725175322 /nfs/dbraw/zinc/17/53/22/725175322.db2.gz AICCGDQZMDHISW-INIZCTEOSA-N 2 0 293.411 1.633 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C=C2CC[NH2+]CC2)C[C@@H]1C ZINC000852869611 725176021 /nfs/dbraw/zinc/17/60/21/725176021.db2.gz CQEISMGNVILRTN-ZFWWWQNUSA-N 2 0 279.428 1.627 10 0 CDAERP CN(CCC[NH2+]Cc1ccnn1C1CCC1)CC[NH+](C)C ZINC000922274223 725197523 /nfs/dbraw/zinc/19/75/23/725197523.db2.gz VBDHTQILDGUYEB-UHFFFAOYSA-N 2 0 293.459 1.581 10 0 CDAERP CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923510665 725202742 /nfs/dbraw/zinc/20/27/42/725202742.db2.gz WHMCMAJPHHSBPM-SOUVJXGZSA-N 2 0 281.444 1.694 10 0 CDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H]2CCC=CO2)CC1 ZINC000249041486 725214671 /nfs/dbraw/zinc/21/46/71/725214671.db2.gz UUNNPPNLTFXKMK-GDBMZVCRSA-N 2 0 282.428 1.704 10 0 CDAERP CC(C)CC[NH+]1CCC([NH2+]C[C@H]2COCCN2C)CC1 ZINC000926759846 725224407 /nfs/dbraw/zinc/22/44/07/725224407.db2.gz IQCLDRATHYGXNJ-INIZCTEOSA-N 2 0 283.460 1.417 10 0 CDAERP C(C[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)CN1CC[NH2+]CC1 ZINC000925695674 725234551 /nfs/dbraw/zinc/23/45/51/725234551.db2.gz XYXSPLWFYWPKMI-OWCLPIDISA-N 2 0 281.444 1.077 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ncc(Cl)s1 ZINC000719403375 725256344 /nfs/dbraw/zinc/25/63/44/725256344.db2.gz RSHGXIALCJBASN-QMMMGPOBSA-N 2 0 263.794 1.640 10 0 CDAERP Cc1cc([C@@H]([NH3+])CC(=O)N[C@@H](C)CC[NH3+])cc(Cl)n1 ZINC000834453198 725272837 /nfs/dbraw/zinc/27/28/37/725272837.db2.gz OTVGAZNNXKOXES-KWQFWETISA-N 2 0 284.791 1.287 10 0 CDAERP C[C@@H]([NH3+])CN(C)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000861641930 725278867 /nfs/dbraw/zinc/27/88/67/725278867.db2.gz QFTNRKCQRUGXAB-MNOVXSKESA-N 2 0 264.373 1.195 10 0 CDAERP C[NH+](C)C1CC(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000857226812 725284396 /nfs/dbraw/zinc/28/43/96/725284396.db2.gz AHVGWKGFUGPUKG-QOZQQMKHSA-N 2 0 285.407 1.408 10 0 CDAERP CC1(C)C[C@@H]([NH2+]C[C@@H](O)c2ccco2)C[C@@H]([NH3+])C1 ZINC000925607333 725291482 /nfs/dbraw/zinc/29/14/82/725291482.db2.gz VLUKSFDLFRZAAI-GRYCIOLGSA-N 2 0 252.358 1.809 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3[C@@H](CC[NH+]3C)C2)CC[N@@H+]1C ZINC000827233790 725305957 /nfs/dbraw/zinc/30/59/57/725305957.db2.gz SCKXHCFULOWSRP-XQLPTFJDSA-N 2 0 279.428 1.269 10 0 CDAERP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000232121539 725313572 /nfs/dbraw/zinc/31/35/72/725313572.db2.gz MMSLMNXSSYXLAH-CFVMTHIKSA-N 2 0 254.418 1.987 10 0 CDAERP C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccoc1 ZINC000925855836 725317741 /nfs/dbraw/zinc/31/77/41/725317741.db2.gz QIEKXKKNRQTLEY-WCQYABFASA-N 2 0 278.352 1.616 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000925620548 725323933 /nfs/dbraw/zinc/32/39/33/725323933.db2.gz BOAYEAWJDLYJEZ-RBKKPWLPSA-N 2 0 252.402 1.874 10 0 CDAERP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc2c(c1)OCC(=O)N2 ZINC000925879463 725344995 /nfs/dbraw/zinc/34/49/95/725344995.db2.gz FFMUUVBPFVZDTD-WZRBSPASSA-N 2 0 289.379 1.796 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC000844193938 725352404 /nfs/dbraw/zinc/35/24/04/725352404.db2.gz PFJYLIIZNBIUQA-KGLIPLIRSA-N 2 0 267.417 1.367 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H]2COC3(CCCC3)O2)C12CCC2 ZINC000925631330 725353112 /nfs/dbraw/zinc/35/31/12/725353112.db2.gz UPABPKYQLCURGE-JHJVBQTASA-N 2 0 266.385 1.532 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCc2nnc3ccccn32)[C@@H]2CCC[C@H]21 ZINC000796673286 725359140 /nfs/dbraw/zinc/35/91/40/725359140.db2.gz ASQFJNIULYAKRM-SOUVJXGZSA-N 2 0 299.422 1.734 10 0 CDAERP CC1(C)C[C@@H]([NH2+]CCOCC(F)F)C[C@@H]([NH3+])C1 ZINC000925648774 725362235 /nfs/dbraw/zinc/36/22/35/725362235.db2.gz FYMAHBVVXXVCKX-ZJUUUORDSA-N 2 0 250.333 1.764 10 0 CDAERP CN(C[C@@H]1CCC[N@@H+]1C)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000852920531 725374602 /nfs/dbraw/zinc/37/46/02/725374602.db2.gz CPYXPSNZTNTSJF-SJORKVTESA-N 2 0 294.487 1.639 10 0 CDAERP CN(C)C(=O)CCC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925588361 725375920 /nfs/dbraw/zinc/37/59/20/725375920.db2.gz WAUOPUBTEHBRPP-HUUCEWRRSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@H](NCCC[NH+](C)C)c1cn2c(n1)CCCC2 ZINC000924541943 725377254 /nfs/dbraw/zinc/37/72/54/725377254.db2.gz WNWZRGJIJSCJPK-LBPRGKRZSA-N 2 0 250.390 1.822 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CC[C@H]1CC(C)(C)CO1 ZINC000717312748 725385343 /nfs/dbraw/zinc/38/53/43/725385343.db2.gz HTHGACZKJWIMEJ-STQMWFEESA-N 2 0 258.406 1.535 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C3CC3)CC2)C1 ZINC000787331028 725403600 /nfs/dbraw/zinc/40/36/00/725403600.db2.gz MFDCZXIMFWEWML-CYBMUJFWSA-N 2 0 265.401 1.071 10 0 CDAERP C[N@H+](CCCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)C1CC1 ZINC000925686042 725405008 /nfs/dbraw/zinc/40/50/08/725405008.db2.gz QQXGCNYZTFOKFG-UONOGXRCSA-N 3 0 251.418 1.720 10 0 CDAERP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1cncs1 ZINC000925811858 725407704 /nfs/dbraw/zinc/40/77/04/725407704.db2.gz SUAFPEFAMOTDQS-SNVBAGLBSA-N 2 0 254.403 1.217 10 0 CDAERP CC1(C)C[NH2+]C[C@@H]1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000711381319 725410073 /nfs/dbraw/zinc/41/00/73/725410073.db2.gz JPGASOKTFSKHJX-UONOGXRCSA-N 2 0 279.428 1.319 10 0 CDAERP CCCNC(=O)CC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925494216 725414019 /nfs/dbraw/zinc/41/40/19/725414019.db2.gz JBZZSOOOMZLIMD-LSDHHAIUSA-N 2 0 281.444 1.661 10 0 CDAERP Cc1cc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)n(C)n1 ZINC000848556757 725419460 /nfs/dbraw/zinc/41/94/60/725419460.db2.gz CHBHCWDQWMMSGX-RWMBFGLXSA-N 2 0 250.390 1.719 10 0 CDAERP C[C@H]1[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCN1C ZINC000922556127 725432271 /nfs/dbraw/zinc/43/22/71/725432271.db2.gz YNHNBJFOWPBGQB-SWLSCSKDSA-N 2 0 271.368 1.450 10 0 CDAERP CCCNC(=O)CC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925496595 725433203 /nfs/dbraw/zinc/43/32/03/725433203.db2.gz WTHSFOACWYCYBW-NWDGAFQWSA-N 2 0 255.406 1.398 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000857253345 725440453 /nfs/dbraw/zinc/44/04/53/725440453.db2.gz KHELOWUVHQFMON-XWLWVQCSSA-N 2 0 281.227 1.912 10 0 CDAERP COCCNCC[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000925699685 725447910 /nfs/dbraw/zinc/44/79/10/725447910.db2.gz PKALINGAYKBUBY-MGPQQGTHSA-N 2 0 256.390 1.017 10 0 CDAERP CC(=O)NCCCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000929848075 725453151 /nfs/dbraw/zinc/45/31/51/725453151.db2.gz PXEYJJASUBTICQ-JKSUJKDBSA-N 2 0 281.444 1.709 10 0 CDAERP Cc1cncc(CC[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)n1 ZINC000925704168 725459595 /nfs/dbraw/zinc/45/95/95/725459595.db2.gz BMGWPEKSQSPRRA-TZMCWYRMSA-N 2 0 262.401 1.823 10 0 CDAERP C[C@H]([NH3+])[C@@H]1C[N@H+](C[C@H]2CC(C)(C)OC2(C)C)CCO1 ZINC000709702974 725500886 /nfs/dbraw/zinc/50/08/86/725500886.db2.gz QMVVKWBHUKEJBC-XQQFMLRXSA-N 2 0 270.417 1.628 10 0 CDAERP CC[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1nccn1C ZINC000925844019 725515256 /nfs/dbraw/zinc/51/52/56/725515256.db2.gz IKQZDPLHZGCZOO-HNNXBMFYSA-N 2 0 293.459 1.536 10 0 CDAERP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H]1CCc2nnn(C)c2C1 ZINC000925892838 725532523 /nfs/dbraw/zinc/53/25/23/725532523.db2.gz GGXJSGRINRASPG-DUVNUKRYSA-N 2 0 299.422 1.221 10 0 CDAERP [NH3+]CCCCCCC[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000843392474 725585228 /nfs/dbraw/zinc/58/52/28/725585228.db2.gz PKXXIDQKWAWUMN-AWEZNQCLSA-N 2 0 277.416 1.872 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)CCc1cccc(F)c1 ZINC000923400923 725605006 /nfs/dbraw/zinc/60/50/06/725605006.db2.gz GEDPEJNUMAKTOQ-UHFFFAOYSA-N 2 0 254.349 1.536 10 0 CDAERP C[N@H+](CCCCCC[NH3+])C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000724594298 725653732 /nfs/dbraw/zinc/65/37/32/725653732.db2.gz MTLIGUBETOXQNC-HZSPNIEDSA-N 2 0 256.390 1.241 10 0 CDAERP COC1(OC)CC[C@H]1[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000926574058 725692276 /nfs/dbraw/zinc/69/22/76/725692276.db2.gz UFCQXVGLEOZSPM-CHWSQXEVSA-N 2 0 256.390 1.459 10 0 CDAERP CN(C)[C@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C(F)(F)F ZINC000925837068 725895581 /nfs/dbraw/zinc/89/55/81/725895581.db2.gz NIUGQMMJFGYPAK-AYLPWXGPSA-N 2 0 279.350 1.742 10 0 CDAERP CC1(C)CO[C@H](C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C1 ZINC000708342169 725922468 /nfs/dbraw/zinc/92/24/68/725922468.db2.gz ZMQZOGSHZYCAGA-XUXIUFHCSA-N 2 0 252.402 1.861 10 0 CDAERP C[C@H]([NH3+])[C@H]1C[N@H+](C[C@@H]2CC(C)(C)OC2(C)C)CCO1 ZINC000709702973 725929997 /nfs/dbraw/zinc/92/99/97/725929997.db2.gz QMVVKWBHUKEJBC-RWMBFGLXSA-N 2 0 270.417 1.628 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000925538079 725933911 /nfs/dbraw/zinc/93/39/11/725933911.db2.gz QRFWGEJZGOMIMO-UONOGXRCSA-N 2 0 251.418 1.735 10 0 CDAERP CCO[C@H](CN[C@@H](Cc1ccccc1)[C@H](C)[NH3+])C[NH+](C)C ZINC000925841949 725939171 /nfs/dbraw/zinc/93/91/71/725939171.db2.gz VJJQHJAEPRNDAU-UAGQMJEPSA-N 2 0 293.455 1.501 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)C1 ZINC000925880120 725962314 /nfs/dbraw/zinc/96/23/14/725962314.db2.gz OIPGFTNKHMGODB-NJVJYBDUSA-N 2 0 252.402 1.909 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000924697521 725989612 /nfs/dbraw/zinc/98/96/12/725989612.db2.gz UAGMBGAPHOFLSL-JPIQDLEPSA-N 3 0 263.429 1.543 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[NH+](C)[C@@H]2C)C[N@@H+]1C1CC1 ZINC000921383797 725992661 /nfs/dbraw/zinc/99/26/61/725992661.db2.gz CEDBGYVVBWBPEN-NRWUCQMLSA-N 2 0 280.416 1.003 10 0 CDAERP CCC[N@@H+]1CC[C@H](N[C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000925711438 725995611 /nfs/dbraw/zinc/99/56/11/725995611.db2.gz ZAIWCDHCXLNYRF-XGUBFFRZSA-N 2 0 265.445 1.837 10 0 CDAERP C[C@@H](CC(C)(C)O)[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925682448 726003283 /nfs/dbraw/zinc/00/32/83/726003283.db2.gz XGZGGFRGZQRHOI-QNWHQSFQSA-N 2 0 254.418 1.902 10 0 CDAERP Cc1cc(C)n(CC[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)n1 ZINC000386920039 726003691 /nfs/dbraw/zinc/00/36/91/726003691.db2.gz RGALMUWYSAULCW-SMDDNHRTSA-N 2 0 250.390 1.417 10 0 CDAERP C[N@@H+]1C[C@@H]2C[NH+](C[C@H]3CCCC[C@H]3O)C[C@]2(C)C1 ZINC001620628463 1165662392 /nfs/dbraw/zinc/66/23/92/1165662392.db2.gz NYUCDDMCUYXVIN-TUVASFSCSA-N 2 0 252.402 1.421 10 0 CDAERP CCC[NH2+]CC1CC(NC(=O)CC[N@H+](C)CC)C1 ZINC001275304180 1166664701 /nfs/dbraw/zinc/66/47/01/1166664701.db2.gz CSNUSMOVPCSJTA-UHFFFAOYSA-N 2 0 255.406 1.223 10 0 CDAERP C[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC001645240067 1167381050 /nfs/dbraw/zinc/38/10/50/1167381050.db2.gz DAIKJNOPMSYSHA-CYBMUJFWSA-N 2 0 267.417 1.175 10 0 CDAERP C[NH+]1CCC(CC(=O)NC[C@H]2C[C@H]([NH2+]CCCF)C2)CC1 ZINC001565873701 1168193677 /nfs/dbraw/zinc/19/36/77/1168193677.db2.gz JXLIFBIMBIOACW-SHTZXODSSA-N 2 0 299.434 1.562 10 0 CDAERP CCOCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001566929328 1168471311 /nfs/dbraw/zinc/47/13/11/1168471311.db2.gz YBUSQHKLVDULOQ-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP COCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001266319909 894365415 /nfs/dbraw/zinc/36/54/15/894365415.db2.gz VEHNEHMOEQOUQW-GJZGRUSLSA-N 2 0 297.443 1.086 10 0 CDAERP CC[N@@H+](CC=C(C)C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001266416589 894769235 /nfs/dbraw/zinc/76/92/35/894769235.db2.gz KBRGKHPDBMYBSN-OAHLLOKOSA-N 2 0 283.460 1.977 10 0 CDAERP CCO[C@H](C[N@H+]1[C@@H]2CC[C@H]1CCN(C)C2)C1CC1 ZINC001176071702 913918906 /nfs/dbraw/zinc/91/89/06/913918906.db2.gz YVVIZTZNGZBLNC-RRFJBIMHSA-N 2 0 252.402 1.970 10 0 CDAERP COCCCC[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001176105659 913960484 /nfs/dbraw/zinc/96/04/84/913960484.db2.gz NZTOVDHSTSBEHB-UHFFFAOYSA-N 2 0 270.417 1.646 10 0 CDAERP CN(CC[NH2+]CCCCCF)C(=O)C1CC[NH+](C)CC1 ZINC001567555181 1168851660 /nfs/dbraw/zinc/85/16/60/1168851660.db2.gz BJEDRJUUHDFVAY-UHFFFAOYSA-N 2 0 287.423 1.516 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]CC2CCC2)C1 ZINC001267429338 897894042 /nfs/dbraw/zinc/89/40/42/897894042.db2.gz XUYDFFPKGJBZER-ZDUSSCGKSA-N 2 0 267.417 1.176 10 0 CDAERP CN(CC[NH2+]CC1CCC1)C(=O)C[N@H+](C)CC(C)(C)C ZINC001267429243 897894988 /nfs/dbraw/zinc/89/49/88/897894988.db2.gz USZPCJFLJADNQR-UHFFFAOYSA-N 2 0 283.460 1.812 10 0 CDAERP C[NH+](C)CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001267535281 898277667 /nfs/dbraw/zinc/27/76/67/898277667.db2.gz READUURIBKZGFE-IYBDPMFKSA-N 2 0 293.455 1.804 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001481109628 898872884 /nfs/dbraw/zinc/87/28/84/898872884.db2.gz BTGWEKDPUSDLEA-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CCCCCF)C1 ZINC001267757955 899609740 /nfs/dbraw/zinc/60/97/40/899609740.db2.gz GFHSXLYHNZOMNV-HUUCEWRRSA-N 2 0 299.434 1.753 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC2(C[NH2+]CCF)CCCC2)C1 ZINC001267845111 899855634 /nfs/dbraw/zinc/85/56/34/899855634.db2.gz QYTOMJFGLOMLNX-ZDUSSCGKSA-N 2 0 285.407 1.316 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N[C@@](C)(C[NH2+]CCF)C2CC2)C1 ZINC001267863306 899896761 /nfs/dbraw/zinc/89/67/61/899896761.db2.gz GDOKLRPSVAMURI-DOMZBBRYSA-N 2 0 285.407 1.172 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N[C@](C)(C[NH2+]CCF)C2CC2)C1 ZINC001267863307 899896955 /nfs/dbraw/zinc/89/69/55/899896955.db2.gz GDOKLRPSVAMURI-IUODEOHRSA-N 2 0 285.407 1.172 10 0 CDAERP CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CC=C(C)C)[NH+](C)C ZINC001267970048 900116720 /nfs/dbraw/zinc/11/67/20/900116720.db2.gz OECSTTBFKDRYAL-CABCVRRESA-N 2 0 281.444 1.873 10 0 CDAERP CC(C)[NH2+]C[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001268008558 900272288 /nfs/dbraw/zinc/27/22/88/900272288.db2.gz AIHUVFJGCLDLTM-STQMWFEESA-N 2 0 255.406 1.079 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+]Cc1cncs1 ZINC001481320034 900381558 /nfs/dbraw/zinc/38/15/58/900381558.db2.gz UCWKTJYDLDCTAU-UHFFFAOYSA-N 2 0 284.429 1.031 10 0 CDAERP CC(C)[NH2+][C@H](C)C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001481343684 900463460 /nfs/dbraw/zinc/46/34/60/900463460.db2.gz QLIUEAXQGPAFOC-CQSZACIVSA-N 2 0 283.460 1.952 10 0 CDAERP C[C@@H]1[C@H](C(=O)NCC[C@H]2CC[NH+](CC3CC3)C2)CC[N@@H+]1C ZINC001481430700 900644928 /nfs/dbraw/zinc/64/49/28/900644928.db2.gz CPSXFZWBPAMORM-VNQPRFMTSA-N 2 0 293.455 1.565 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001481522318 901050960 /nfs/dbraw/zinc/05/09/60/901050960.db2.gz NVZGFRDAKGZBCV-MELADBBJSA-N 2 0 285.407 1.409 10 0 CDAERP C[C@@H](CC[NH2+]Cc1cccnc1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268346981 901907575 /nfs/dbraw/zinc/90/75/75/901907575.db2.gz APLDXNPZECKAEQ-DZGCQCFKSA-N 2 0 290.411 1.160 10 0 CDAERP C[C@H](CC[NH2+]Cc1cscn1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001268424150 902039353 /nfs/dbraw/zinc/03/93/53/902039353.db2.gz SDSMRMCREFQDOO-NEPJUHHUSA-N 2 0 296.440 1.079 10 0 CDAERP CCCCCN1CC(NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001268434109 902051200 /nfs/dbraw/zinc/05/12/00/902051200.db2.gz YLXSDAWXKQDAJA-UHFFFAOYSA-N 2 0 281.444 1.851 10 0 CDAERP C[C@@H]([NH2+]CCF)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001422039697 902079765 /nfs/dbraw/zinc/07/97/65/902079765.db2.gz AAKSZEVZLSAWRQ-KGLIPLIRSA-N 2 0 285.407 1.268 10 0 CDAERP CCN(CC[NH2+]CC1CCC1)C(=O)C[N@H+](C)C1CCC1 ZINC001268455173 902128708 /nfs/dbraw/zinc/12/87/08/902128708.db2.gz ZHLUZFFCAXNYJF-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001481847323 902213424 /nfs/dbraw/zinc/21/34/24/902213424.db2.gz COGKBWWNZKSNCJ-UONOGXRCSA-N 2 0 299.459 1.238 10 0 CDAERP COCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001482016878 902469687 /nfs/dbraw/zinc/46/96/87/902469687.db2.gz OMXQYARCZPTPBW-KKUMJFAQSA-N 2 0 299.459 1.236 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+]CC1CCC1 ZINC001482138366 902756420 /nfs/dbraw/zinc/75/64/20/902756420.db2.gz VEHGLLFFLFXZNQ-LBPRGKRZSA-N 2 0 255.406 1.080 10 0 CDAERP CC(C)N1CCO[C@@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001482191068 902945748 /nfs/dbraw/zinc/94/57/48/902945748.db2.gz UUABXJQAKDCPLN-CABCVRRESA-N 2 0 297.443 1.086 10 0 CDAERP C[C@@H](C[NH2+]CCCCCF)NC(=O)C1CC[NH+](C)CC1 ZINC001268700470 902980663 /nfs/dbraw/zinc/98/06/63/902980663.db2.gz JLGVOGKPEOXINW-ZDUSSCGKSA-N 2 0 287.423 1.562 10 0 CDAERP CC[C@@H](C)C[NH2+]CCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001268847927 903177136 /nfs/dbraw/zinc/17/71/36/903177136.db2.gz ORRIEHBCNSCRNR-HUUCEWRRSA-N 2 0 283.460 1.812 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001269279355 903647073 /nfs/dbraw/zinc/64/70/73/903647073.db2.gz ZKEGOXHHISESQS-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CCF)[NH+]1CCCC1 ZINC001270193521 904430679 /nfs/dbraw/zinc/43/06/79/904430679.db2.gz LFCDWHZFHSQSBF-GJZGRUSLSA-N 2 0 299.434 1.657 10 0 CDAERP CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001482293596 904690431 /nfs/dbraw/zinc/69/04/31/904690431.db2.gz XIAYZNVHYUXVNZ-ZFWWWQNUSA-N 2 0 281.444 1.850 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]C/C=C/Cl)[NH+](C)C ZINC001482295253 904704985 /nfs/dbraw/zinc/70/49/85/904704985.db2.gz VYMUDOHIIIOLQO-FVWNJDPFSA-N 2 0 289.851 1.762 10 0 CDAERP CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001482302887 904818909 /nfs/dbraw/zinc/81/89/09/904818909.db2.gz REKXGJHEMKKWCH-UONOGXRCSA-N 2 0 269.433 1.563 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@H](C)C[NH2+]CC)C1 ZINC001482322928 905002506 /nfs/dbraw/zinc/00/25/06/905002506.db2.gz FSMIRLABGSFWLY-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@H](C[NH2+]CCCF)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482353249 905175936 /nfs/dbraw/zinc/17/59/36/905175936.db2.gz GEDIFCJPLXKZFO-CHWSQXEVSA-N 2 0 273.396 1.124 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1nccs1 ZINC001482369568 905219083 /nfs/dbraw/zinc/21/90/83/905219083.db2.gz NLIAOSFLEDRDMC-LBPRGKRZSA-N 2 0 298.456 1.420 10 0 CDAERP CC[C@H](C(=O)NC[C@@]1(C)CCC[N@H+](CC)C1)[NH+](C)C ZINC001270965979 905503802 /nfs/dbraw/zinc/50/38/02/905503802.db2.gz SZUCHCCJMXRREI-UKRRQHHQSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001271528984 906504199 /nfs/dbraw/zinc/50/41/99/906504199.db2.gz DJUFRWJIBJISPY-LSDHHAIUSA-N 2 0 281.444 1.731 10 0 CDAERP C[C@@H](CC[NH2+]CC[C@H]1CCCO1)NC(=O)C[NH+]1CCCC1 ZINC001482899669 908465961 /nfs/dbraw/zinc/46/59/61/908465961.db2.gz UKSZYDTVDVXAEK-LSDHHAIUSA-N 2 0 297.443 1.136 10 0 CDAERP CCC(CC)C[NH2+]C/C=C\CNC(=O)C12CC[NH+](CC1)C2 ZINC001483083432 909300166 /nfs/dbraw/zinc/30/01/66/909300166.db2.gz JKRKIMORYCBEET-WAYWQWQTSA-N 2 0 293.455 1.780 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1([NH2+]CC2CCC2)CC1 ZINC001483794882 915073636 /nfs/dbraw/zinc/07/36/36/915073636.db2.gz YCFYHCFGZUHIDZ-OKILXGFUSA-N 2 0 293.455 1.898 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CC[C@@H](CC[NH2+]CC2CC2)C1 ZINC001484550902 915877445 /nfs/dbraw/zinc/87/74/45/915877445.db2.gz ZYJMZKXJWOATRD-OAHLLOKOSA-N 2 0 279.428 1.320 10 0 CDAERP C[NH+](C)CCC(=O)N1CCO[C@H](C[NH2+]CCC(C)(C)C)C1 ZINC001484687947 916043144 /nfs/dbraw/zinc/04/31/44/916043144.db2.gz QHJVCRAERUTSAN-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP CCCC[NH2+][C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001484905418 916257955 /nfs/dbraw/zinc/25/79/55/916257955.db2.gz UTDFNSQXFOWAAM-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[NH2+]C1(C)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001484923270 916281370 /nfs/dbraw/zinc/28/13/70/916281370.db2.gz KGLZYUGHWIJDME-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[NH2+]CC1CC(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001485107299 916533739 /nfs/dbraw/zinc/53/37/39/916533739.db2.gz MQHNUMGRNBRYIM-WXRRBKDZSA-N 2 0 255.406 1.221 10 0 CDAERP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1ccccc1F ZINC001485188558 916648801 /nfs/dbraw/zinc/64/88/01/916648801.db2.gz MNUYHTLOEKBSFI-STQMWFEESA-N 2 0 295.402 1.760 10 0 CDAERP CC(C)[N@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001485302694 916816499 /nfs/dbraw/zinc/81/64/99/916816499.db2.gz NJNUAMVKLSDNEZ-JSGCOSHPSA-N 2 0 267.417 1.173 10 0 CDAERP CC[C@H](C(=O)NC1(C[NH2+]CCCO)CCCCC1)[NH+](C)C ZINC001485456518 916981131 /nfs/dbraw/zinc/98/11/31/916981131.db2.gz WIZXUFAHLYLAIP-CQSZACIVSA-N 2 0 299.459 1.118 10 0 CDAERP CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001485620416 917130695 /nfs/dbraw/zinc/13/06/95/917130695.db2.gz XANIQIPHHPODIZ-PHZGNYQRSA-N 2 0 293.455 1.422 10 0 CDAERP C[C@@H](C[NH2+]CC1CCC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001568262409 1169205294 /nfs/dbraw/zinc/20/52/94/1169205294.db2.gz JDDFBLQJKUYRLD-JSGCOSHPSA-N 2 0 267.417 1.317 10 0 CDAERP CC(C)[C@H](C(=O)N(C)C[C@H](C)[NH2+]CCCF)[NH+](C)C ZINC001485946375 920608963 /nfs/dbraw/zinc/60/89/63/920608963.db2.gz CMSMXWXTYLOMRJ-QWHCGFSZSA-N 2 0 275.412 1.369 10 0 CDAERP CC(C)(C)[C@H](C[NH2+]CCF)NC(=O)CCc1c[nH]cn1 ZINC001486398773 920964960 /nfs/dbraw/zinc/96/49/60/920964960.db2.gz MHJUWOYPAXZWTM-LBPRGKRZSA-N 2 0 284.379 1.432 10 0 CDAERP CCCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001568319255 1169242316 /nfs/dbraw/zinc/24/23/16/1169242316.db2.gz LPTOFNFYTCGUFW-QWHCGFSZSA-N 2 0 255.406 1.175 10 0 CDAERP CCOCC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001491041974 936845591 /nfs/dbraw/zinc/84/55/91/936845591.db2.gz JTYWUYNHYXSLEK-OKILXGFUSA-N 2 0 297.443 1.134 10 0 CDAERP CC[NH2+]CCN(CC)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001273687041 924395461 /nfs/dbraw/zinc/39/54/61/924395461.db2.gz FEMAULBJVVZUGH-UHFFFAOYSA-N 2 0 269.433 1.565 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001410236060 925438688 /nfs/dbraw/zinc/43/86/88/925438688.db2.gz KECWPYAQJVGOMH-IHRRRGAJSA-N 2 0 299.434 1.703 10 0 CDAERP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1cccc(F)c1 ZINC001410429238 925650707 /nfs/dbraw/zinc/65/07/07/925650707.db2.gz FBUASCRSNZZCOA-ZDUSSCGKSA-N 2 0 295.402 1.714 10 0 CDAERP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]CC[C@@H]1CCCO1 ZINC001410518964 925865721 /nfs/dbraw/zinc/86/57/21/925865721.db2.gz XPIDUORUQWDTOC-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]C[C@H](F)CC)C1 ZINC001442146713 937040806 /nfs/dbraw/zinc/04/08/06/937040806.db2.gz DTQCGXNLVCXPTH-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@@H]1[C@H]([NH2+]C/C=C/Cl)CCN1C(=O)C[NH+]1CCCC1 ZINC001410877452 926719276 /nfs/dbraw/zinc/71/92/76/926719276.db2.gz YXTCIIXRRHUKQG-LOWFTVKWSA-N 2 0 285.819 1.414 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001488851414 926721597 /nfs/dbraw/zinc/72/15/97/926721597.db2.gz PFMHIMVVRRZIMD-CTYIDZIISA-N 2 0 295.471 1.859 10 0 CDAERP CCCC[N@H+](C)CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001490204853 927010104 /nfs/dbraw/zinc/01/01/04/927010104.db2.gz BCVLJTMVTNBRTG-UHFFFAOYSA-N 2 0 269.433 1.709 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000850501281 927439353 /nfs/dbraw/zinc/43/93/53/927439353.db2.gz MYAVCERZTHIRKX-ZFWWWQNUSA-N 2 0 293.459 1.649 10 0 CDAERP CC(C)[N@@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)C[C@H](C)O ZINC001317697784 929356436 /nfs/dbraw/zinc/35/64/36/929356436.db2.gz DGUDTIDIYSYHLH-GJZGRUSLSA-N 2 0 299.459 1.068 10 0 CDAERP CC(C)C[NH2+]CCC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001318876044 931129191 /nfs/dbraw/zinc/12/91/91/931129191.db2.gz ZRMCQSSUVNABJB-MRXNPFEDSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@]1(C[NH2+]CCCF)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001324811930 931325429 /nfs/dbraw/zinc/32/54/29/931325429.db2.gz ASQQVEFNDDUQJZ-HNNXBMFYSA-N 2 0 297.418 1.270 10 0 CDAERP CC/C=C/CC[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001274906684 931606098 /nfs/dbraw/zinc/60/60/98/931606098.db2.gz JZWYLUHKZPWRLA-VBROQKIQSA-N 2 0 281.444 1.779 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+]CCC(C)(C)C ZINC001274995859 931626022 /nfs/dbraw/zinc/62/60/22/931626022.db2.gz INGOFTCHXKZMLP-CYBMUJFWSA-N 2 0 271.449 1.859 10 0 CDAERP CC(C)CC[NH2+]CC1CC(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001275279464 931722322 /nfs/dbraw/zinc/72/23/22/931722322.db2.gz VOXUNEOKGAOJNN-UHFFFAOYSA-N 2 0 295.471 1.859 10 0 CDAERP O=C1OCCN1CCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000690439781 931857255 /nfs/dbraw/zinc/85/72/55/931857255.db2.gz LIWMHJVPUOKKAX-STQMWFEESA-N 2 0 267.373 1.045 10 0 CDAERP C[NH2+]CCCCC(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000719676628 932192302 /nfs/dbraw/zinc/19/23/02/932192302.db2.gz MXBBEBMFSPXVHL-ZDUSSCGKSA-N 2 0 255.406 1.319 10 0 CDAERP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N(C)CCCC[NH+](C)C)C[N@@H+]2C1 ZINC001147594186 932550964 /nfs/dbraw/zinc/55/09/64/932550964.db2.gz URWYKSCXAJTBLO-PMPSAXMXSA-N 2 0 295.471 1.907 10 0 CDAERP CCCC[C@H](C[NH2+]CC)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001276255312 932692054 /nfs/dbraw/zinc/69/20/54/932692054.db2.gz NCXZQAFLWYTJPY-ZIAGYGMSSA-N 2 0 269.433 1.755 10 0 CDAERP C[NH+](C)C1(C)CCN(CC[NH+]2CCCCC2)CC1 ZINC000931350479 933545835 /nfs/dbraw/zinc/54/58/35/933545835.db2.gz MBSMKNOROHGCQK-UHFFFAOYSA-N 2 0 253.434 1.888 10 0 CDAERP C[C@@H](Cn1cccn1)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC001119629737 937741223 /nfs/dbraw/zinc/74/12/23/937741223.db2.gz SZQACGBYWFWCSE-WDEREUQCSA-N 2 0 258.316 1.106 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N[C@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC001162914058 939160745 /nfs/dbraw/zinc/16/07/45/939160745.db2.gz GUYHVBZADRJBSX-FRRDWIJNSA-N 2 0 269.433 1.419 10 0 CDAERP CC/C=C/CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001276552712 940282173 /nfs/dbraw/zinc/28/21/73/940282173.db2.gz MQERORMSUVJQMZ-CGFBPQRUSA-N 2 0 293.455 1.921 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC001362067249 970842055 /nfs/dbraw/zinc/84/20/55/970842055.db2.gz YSRFQVYTUGDRHK-LSDHHAIUSA-N 2 0 283.460 1.812 10 0 CDAERP C[C@H](CCC[NH2+]CCF)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001277217229 942185255 /nfs/dbraw/zinc/18/52/55/942185255.db2.gz IBQSLHGPPPMANT-CHWSQXEVSA-N 2 0 273.396 1.315 10 0 CDAERP CC(C)CCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001281462006 942579452 /nfs/dbraw/zinc/57/94/52/942579452.db2.gz LYWRSIVMYOTXGH-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)C1(C(=O)NC2CC[NH+](CC3CC3)CC2)CCCC1 ZINC001362126171 970916643 /nfs/dbraw/zinc/91/66/43/970916643.db2.gz ZHPIWEALUBEBJP-UHFFFAOYSA-N 2 0 293.455 1.851 10 0 CDAERP CCOCCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001282413050 942707577 /nfs/dbraw/zinc/70/75/77/942707577.db2.gz QDKJQTDWDPGZRO-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP COCC[NH2+][C@H](CCN(C)C(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001282549213 942729355 /nfs/dbraw/zinc/72/93/55/942729355.db2.gz HQXPOZHBMFIQGS-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP CCCC[NH2+]C[C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001283051738 942812081 /nfs/dbraw/zinc/81/20/81/942812081.db2.gz RPCYAKORJQHWBP-HDJSIYSDSA-N 2 0 281.444 1.755 10 0 CDAERP CC[N@H+](C)CCOCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001283422653 942895833 /nfs/dbraw/zinc/89/58/33/942895833.db2.gz PUQATRRDUCFYTA-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C(C)(C)C ZINC001284633312 943229282 /nfs/dbraw/zinc/22/92/82/943229282.db2.gz WHXZNRBGZTYHAV-STQMWFEESA-N 2 0 269.433 1.469 10 0 CDAERP CCC[NH2+]Cc1ccc(CNC(=O)CC[NH+](C)C)c(F)c1 ZINC001285016595 943311746 /nfs/dbraw/zinc/31/17/46/943311746.db2.gz ZTKLEXSXXCKLGJ-UHFFFAOYSA-N 2 0 295.402 1.893 10 0 CDAERP CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001263820921 943989073 /nfs/dbraw/zinc/98/90/73/943989073.db2.gz JRJAOKVNBVAOAH-CYBMUJFWSA-N 2 0 253.390 1.025 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001265302043 944333375 /nfs/dbraw/zinc/33/33/75/944333375.db2.gz WQBBJNGERZFOTJ-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001265303119 944334834 /nfs/dbraw/zinc/33/48/34/944334834.db2.gz BLIOAUSOCCNGQG-UDLYIEAKSA-N 2 0 293.455 1.875 10 0 CDAERP CCCC[NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001265378317 944365210 /nfs/dbraw/zinc/36/52/10/944365210.db2.gz JMDUNOCWOHYWFJ-AWEZNQCLSA-N 2 0 279.428 1.367 10 0 CDAERP C[NH+](C)C1(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CCCC1 ZINC001362258751 971085377 /nfs/dbraw/zinc/08/53/77/971085377.db2.gz DVPOWZYONRASHD-HNNXBMFYSA-N 2 0 293.455 1.948 10 0 CDAERP CCOCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001265613084 944447577 /nfs/dbraw/zinc/44/75/77/944447577.db2.gz IDYUNVUVUWKEDQ-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@H](C[NH2+]CCCOC)C1)[NH+](C)C ZINC001265631193 944451746 /nfs/dbraw/zinc/45/17/46/944451746.db2.gz ZDYFPPKUQCDAOR-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP CC[NH2+][C@@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001265792467 944510852 /nfs/dbraw/zinc/51/08/52/944510852.db2.gz OJGBUHBEOKTHDJ-LBPRGKRZSA-N 2 0 269.433 1.754 10 0 CDAERP CC[N@H+](C)CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001265871870 944552075 /nfs/dbraw/zinc/55/20/75/944552075.db2.gz IDOXZYCQOKZKCE-KBPBESRZSA-N 2 0 267.417 1.461 10 0 CDAERP CC1CC(C[N@H+](C)CCCNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001265923179 944573709 /nfs/dbraw/zinc/57/37/09/944573709.db2.gz MWKSDHFXCKYBBM-QQFBHYJXSA-N 2 0 295.471 1.812 10 0 CDAERP CC(C)OCCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001265945650 944589767 /nfs/dbraw/zinc/58/97/67/944589767.db2.gz SFLHVDZGOBNMSB-HNNXBMFYSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001265947785 944590506 /nfs/dbraw/zinc/59/05/06/944590506.db2.gz YFUQDIQJPZCXEM-ZDUSSCGKSA-N 2 0 255.406 1.173 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]CCCF)C1 ZINC001266076417 944666912 /nfs/dbraw/zinc/66/69/12/944666912.db2.gz ZHQOPKJXSAARQM-UONOGXRCSA-N 2 0 287.423 1.705 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001266152187 944718399 /nfs/dbraw/zinc/71/83/99/944718399.db2.gz PLEVRLCTGPHGTF-CYBMUJFWSA-N 2 0 253.390 1.071 10 0 CDAERP CCCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001266155006 944721434 /nfs/dbraw/zinc/72/14/34/944721434.db2.gz IMLLJKVKBQVILW-KGLIPLIRSA-N 2 0 269.433 1.755 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC2(C)CC[NH+](C)CC2)C1 ZINC001362308647 971141367 /nfs/dbraw/zinc/14/13/67/971141367.db2.gz HZSMGCVGFQKOTB-GJZGRUSLSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001362345321 971175236 /nfs/dbraw/zinc/17/52/36/971175236.db2.gz GULYYURTUNQCLM-GOEBONIOSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[C@H]([NH3+])CC[NH2+]C1CCN(CC(F)F)CC1 ZINC001261650959 946215663 /nfs/dbraw/zinc/21/56/63/946215663.db2.gz ZJKAVWMLAQZQJG-GFCCVEGCSA-N 2 0 263.376 1.679 10 0 CDAERP CC[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+]2CC[C@H](F)C2)C1 ZINC001362385673 971215405 /nfs/dbraw/zinc/21/54/05/971215405.db2.gz LSLQEGXSODKOFU-KGLIPLIRSA-N 2 0 285.407 1.221 10 0 CDAERP [NH3+]CC1CCC([NH2+]CCCCCN2CC[NH2+]CC2)CC1 ZINC001262202644 946517293 /nfs/dbraw/zinc/51/72/93/946517293.db2.gz ZCPWGJWTHZQVRU-UHFFFAOYSA-N 3 0 282.476 1.169 10 0 CDAERP CC[C@@H](C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1CC)OC ZINC001479641294 971356307 /nfs/dbraw/zinc/35/63/07/971356307.db2.gz UEELSVDCCFHHGG-SOUVJXGZSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)OCC[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001479778776 971414176 /nfs/dbraw/zinc/41/41/76/971414176.db2.gz DIVABBBYTUQJHU-OAHLLOKOSA-N 2 0 299.459 1.334 10 0 CDAERP CC[N@@H+]1CC[C@](C)(NC(=O)C[C@@H](C)n2ccnc2)C1 ZINC001278427255 947918464 /nfs/dbraw/zinc/91/84/64/947918464.db2.gz QGOQZVGRQTZNLN-OCCSQVGLSA-N 2 0 264.373 1.435 10 0 CDAERP C[C@H](C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)C[NH+](C)C ZINC000724096304 948628022 /nfs/dbraw/zinc/62/80/22/948628022.db2.gz JCJMQDFRNCVLCZ-BDAKNGLRSA-N 2 0 292.292 1.722 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001480086908 971570366 /nfs/dbraw/zinc/57/03/66/971570366.db2.gz AKCZMGKOBXFEGW-HUUCEWRRSA-N 2 0 281.444 1.519 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@H]1CC[C@H](C[NH2+]CCCF)C1 ZINC001278614537 950464060 /nfs/dbraw/zinc/46/40/60/950464060.db2.gz YLMKMOXRKTVOID-KBPBESRZSA-N 2 0 285.407 1.316 10 0 CDAERP CCC[NH2+]C[C@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001480365357 971690115 /nfs/dbraw/zinc/69/01/15/971690115.db2.gz DHGZTLGXPAJPLP-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@H]1CCC[N@H+](CCF)C1 ZINC001480384636 971696428 /nfs/dbraw/zinc/69/64/28/971696428.db2.gz XDKHOTRJVKYADQ-OLZOCXBDSA-N 2 0 273.396 1.124 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001480665493 971830443 /nfs/dbraw/zinc/83/04/43/971830443.db2.gz MIOAWDGFOQQEFL-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)[NH2+][C@@H](C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001480792998 971880395 /nfs/dbraw/zinc/88/03/95/971880395.db2.gz VPEALMSZUUPPKH-OLZOCXBDSA-N 2 0 255.406 1.221 10 0 CDAERP C[C@H](CN(C)CC[NH+]1CCCCC1)C[NH+]1CCOCC1 ZINC001363804283 953828815 /nfs/dbraw/zinc/82/88/15/953828815.db2.gz CHZBIGZIRWMPCG-MRXNPFEDSA-N 2 0 283.460 1.372 10 0 CDAERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C[NH2+]CC1CC1 ZINC001325584018 953973892 /nfs/dbraw/zinc/97/38/92/953973892.db2.gz YMOJKSBQQYBNNG-GOEBONIOSA-N 2 0 295.471 1.812 10 0 CDAERP CCCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001325779032 954070528 /nfs/dbraw/zinc/07/05/28/954070528.db2.gz OQALHDATZOAXOV-OAGGEKHMSA-N 2 0 293.455 1.519 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CC2CC2)C1 ZINC001326225438 954273875 /nfs/dbraw/zinc/27/38/75/954273875.db2.gz TYBIIKOGUGXHIT-CABCVRRESA-N 2 0 279.428 1.319 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CC)C1 ZINC001326288237 954300545 /nfs/dbraw/zinc/30/05/45/954300545.db2.gz NMHJTCSRQWXUMM-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[C@@H]1[NH3+])C2 ZINC001326908456 954614995 /nfs/dbraw/zinc/61/49/95/954614995.db2.gz XEDJHNMSDCGULU-ABHRYQDASA-N 2 0 265.401 1.091 10 0 CDAERP CC[N@@H+]1C[C@H](C)N(C(=O)[C@@H](C)CC[NH+](C)C)C[C@@H]1C ZINC001295827273 954755758 /nfs/dbraw/zinc/75/57/58/954755758.db2.gz BAIDOOGICHLWJS-IHRRRGAJSA-N 2 0 269.433 1.515 10 0 CDAERP C[C@@H]1CCC[N@H+](CCNC(=O)[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC001327196913 954763055 /nfs/dbraw/zinc/76/30/55/954763055.db2.gz ZAWUFGWBWWKYSL-MGPQQGTHSA-N 2 0 267.417 1.352 10 0 CDAERP C[NH+](C)CCC(=O)NCC[N@H+](Cc1ccccc1)C1CC1 ZINC001493406554 972044638 /nfs/dbraw/zinc/04/46/38/972044638.db2.gz FGGJQXXXYKBMDR-UHFFFAOYSA-N 2 0 289.423 1.719 10 0 CDAERP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCC[C@@]4(CCOC4)O3)C[C@@H]2C1 ZINC001363293008 972059705 /nfs/dbraw/zinc/05/97/05/972059705.db2.gz IFMLBQDMBDAGMM-QZWWFDLISA-N 2 0 294.439 1.598 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)CC[NH+]2CC[C@H](F)C2)C1 ZINC001364952794 955412277 /nfs/dbraw/zinc/41/22/77/955412277.db2.gz GJBQCZFKHWSJHJ-STQMWFEESA-N 2 0 271.380 1.021 10 0 CDAERP Cc1ncoc1C[NH2+]C[C@H](C)N(C)C(=O)CCC[NH+](C)C ZINC001421952842 955673824 /nfs/dbraw/zinc/67/38/24/955673824.db2.gz YNEGWXXPKMOVHM-LBPRGKRZSA-N 2 0 296.415 1.261 10 0 CDAERP Cn1nccc1C1(O)CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001422194358 955830557 /nfs/dbraw/zinc/83/05/57/955830557.db2.gz LBDBPUBLYWIMIZ-AWEZNQCLSA-N 2 0 292.427 1.188 10 0 CDAERP CC(C)C[N@H+](C)CCN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001422213989 955852429 /nfs/dbraw/zinc/85/24/29/955852429.db2.gz PYJQAOJUDPXWMW-UHFFFAOYSA-N 2 0 299.459 1.143 10 0 CDAERP [NH3+][C@H]1CCCC[C@@H]1C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC001329518847 955963751 /nfs/dbraw/zinc/96/37/51/955963751.db2.gz CMSAIMMKDLEPAR-STQMWFEESA-N 2 0 265.401 1.106 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1cncs1 ZINC001422757702 956313021 /nfs/dbraw/zinc/31/30/21/956313021.db2.gz CFFZJBRRBIFMNX-NSHDSACASA-N 2 0 284.429 1.078 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[NH+](C(C)C)CC1(C)C ZINC001330241278 956342056 /nfs/dbraw/zinc/34/20/56/956342056.db2.gz GUNKEFBJIYTTGD-ZDUSSCGKSA-N 2 0 269.433 1.563 10 0 CDAERP CC[C@H](C(=O)NCC[N@H+](C)CCC(C)C)[NH+](C)C ZINC001317467829 956344826 /nfs/dbraw/zinc/34/48/26/956344826.db2.gz ZJJGJDCJBQGUGD-CYBMUJFWSA-N 2 0 257.422 1.421 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001365834805 956397154 /nfs/dbraw/zinc/39/71/54/956397154.db2.gz QHTFFKYQQXDMEK-XUXIUFHCSA-N 2 0 285.407 1.313 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001365849778 956403899 /nfs/dbraw/zinc/40/38/99/956403899.db2.gz NSHTUJIMLJWSFE-KKUMJFAQSA-N 2 0 283.460 1.857 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H](C[N@H+](C)CCC2CC2)C1 ZINC001366079755 956549718 /nfs/dbraw/zinc/54/97/18/956549718.db2.gz HOJFSFDRFQPLRD-INIZCTEOSA-N 2 0 295.471 1.909 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]([NH2+]CC2CCC2)C2CC2)C1 ZINC001366080540 956551514 /nfs/dbraw/zinc/55/15/14/956551514.db2.gz SETAJYQWELWKBT-HUUCEWRRSA-N 2 0 279.428 1.223 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@H]1C[C@@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC001366156328 956608628 /nfs/dbraw/zinc/60/86/28/956608628.db2.gz QLZRBQQDMLEVDM-ZNMIVQPWSA-N 2 0 297.443 1.134 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@H]1C[C@@H]([NH2+]CC[C@H]2CCCO2)C1 ZINC001366156320 956609289 /nfs/dbraw/zinc/60/92/89/956609289.db2.gz QLZRBQQDMLEVDM-QLFBSQMISA-N 2 0 297.443 1.134 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cncs1 ZINC001423165658 956640382 /nfs/dbraw/zinc/64/03/82/956640382.db2.gz JDWWVUINQMXOHR-RYUDHWBXSA-N 2 0 296.440 1.031 10 0 CDAERP CC[C@@H](C(=O)NCC1([NH2+]CC[C@@H](C)F)CC1)[NH+](C)C ZINC001423294817 956713830 /nfs/dbraw/zinc/71/38/30/956713830.db2.gz UFYKPKVPHDDPLT-NEPJUHHUSA-N 2 0 273.396 1.313 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC2CC2)C[C@@H]1C ZINC001423446922 956787255 /nfs/dbraw/zinc/78/72/55/956787255.db2.gz CNGIKOAOTSZYOP-ZFWWWQNUSA-N 2 0 281.444 1.706 10 0 CDAERP COC[C@@H](C)[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C(C)(C)C ZINC001423612345 956901013 /nfs/dbraw/zinc/90/10/13/956901013.db2.gz CGLQSQTVBQJDDS-ZIAGYGMSSA-N 2 0 299.459 1.238 10 0 CDAERP CC[NH+]1CCC([C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001423654540 956921339 /nfs/dbraw/zinc/92/13/39/956921339.db2.gz WDCUPFBEZUNJHO-ZIAGYGMSSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001317065848 956946279 /nfs/dbraw/zinc/94/62/79/956946279.db2.gz STEWNSIWIIQUQS-OLZOCXBDSA-N 2 0 255.406 1.175 10 0 CDAERP CCCC[N@H+](CC)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001316909033 957114962 /nfs/dbraw/zinc/11/49/62/957114962.db2.gz KYBCCAVRLNANBH-AWEZNQCLSA-N 2 0 269.433 1.566 10 0 CDAERP CCCC[N@H+](CC)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001316909035 957116045 /nfs/dbraw/zinc/11/60/45/957116045.db2.gz KYBCCAVRLNANBH-CQSZACIVSA-N 2 0 269.433 1.566 10 0 CDAERP CN(CCC[N@H+](C)CCCF)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001424296115 957194439 /nfs/dbraw/zinc/19/44/39/957194439.db2.gz JHRUKGFZJJQZQO-HNNXBMFYSA-N 2 0 299.434 1.468 10 0 CDAERP CN(CCC[N@H+](C)C/C=C/Cl)C(=O)C12CC[NH+](CC1)C2 ZINC001424325778 957207785 /nfs/dbraw/zinc/20/77/85/957207785.db2.gz JZIVIQSBBVDGKX-XVNBXDOJSA-N 2 0 299.846 1.615 10 0 CDAERP CC(C)CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001317068410 957242492 /nfs/dbraw/zinc/24/24/92/957242492.db2.gz ZLLPPOBLDMWEKO-AWEZNQCLSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CCCF ZINC001424554496 957271235 /nfs/dbraw/zinc/27/12/35/957271235.db2.gz YEMVWYZNAXSEAP-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001367016818 957340985 /nfs/dbraw/zinc/34/09/85/957340985.db2.gz YJKDKVBPYUHEBY-STQMWFEESA-N 2 0 273.396 1.267 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001367043483 957362572 /nfs/dbraw/zinc/36/25/72/957362572.db2.gz GVDPSJDZYFCNCR-ZIAGYGMSSA-N 2 0 287.423 1.607 10 0 CDAERP C[C@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+]CCCCCF ZINC001317260582 957384865 /nfs/dbraw/zinc/38/48/65/957384865.db2.gz SHPXOCLJJLHREW-CQSZACIVSA-N 2 0 299.434 1.849 10 0 CDAERP CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001317324934 957423668 /nfs/dbraw/zinc/42/36/68/957423668.db2.gz BPGUTOHLAQDRAD-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)CCC(=O)N1CC2(C1)CCC[N@H+](CCC1CC1)C2 ZINC001425372189 957519927 /nfs/dbraw/zinc/51/99/27/957519927.db2.gz BHNKPDGHISKLAA-UHFFFAOYSA-N 2 0 293.455 1.663 10 0 CDAERP CCCCC[N@@H+]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001317533229 957534320 /nfs/dbraw/zinc/53/43/20/957534320.db2.gz TXAHRYOTKDZKSF-OAHLLOKOSA-N 2 0 293.455 1.711 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]CC=C(C)C)CC[N@@H+]1C ZINC001317588404 957584553 /nfs/dbraw/zinc/58/45/53/957584553.db2.gz GSFLIRPNYORNGL-LSDHHAIUSA-N 2 0 281.444 1.731 10 0 CDAERP CC(C)CC[NH2+][C@H](C)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001425681242 957599609 /nfs/dbraw/zinc/59/96/09/957599609.db2.gz OFFWMUOQRGJGCB-HUUCEWRRSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@H]1C[C@H]([NH2+]Cc2cccnc2)CN1C(=O)CC[NH+](C)C ZINC001425886281 957634484 /nfs/dbraw/zinc/63/44/84/957634484.db2.gz CGCJXAVRUXAVPE-ZFWWWQNUSA-N 2 0 290.411 1.112 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)[NH2+]CCF ZINC001367129111 957697024 /nfs/dbraw/zinc/69/70/24/957697024.db2.gz NMGWOHATQFJECM-ZIAGYGMSSA-N 2 0 287.423 1.703 10 0 CDAERP CC(C)[NH2+]CC[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001367196780 957837726 /nfs/dbraw/zinc/83/77/26/957837726.db2.gz WVYHHVDZERVQLU-HNNXBMFYSA-N 2 0 283.460 1.953 10 0 CDAERP CC[N@@H+]1CCC[C@H](CN[C@@H]2CC[NH2+]C23CCC3)C1 ZINC001332875468 957908718 /nfs/dbraw/zinc/90/87/18/957908718.db2.gz BBCGPPMUAWSROW-ZIAGYGMSSA-N 2 0 251.418 1.593 10 0 CDAERP CN(CC[N@H+](C)CC1CCCC1)C(=O)C1CC[NH+](C)CC1 ZINC001367530238 958107511 /nfs/dbraw/zinc/10/75/11/958107511.db2.gz AKGZXDFCJOIPJH-UHFFFAOYSA-N 2 0 295.471 1.909 10 0 CDAERP CCN(CC[NH2+]C(C)C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001367642574 958165160 /nfs/dbraw/zinc/16/51/60/958165160.db2.gz HOMQHKBMXGIURY-CABCVRRESA-N 2 0 281.444 1.850 10 0 CDAERP C[C@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001367712119 958240650 /nfs/dbraw/zinc/24/06/50/958240650.db2.gz KGEFFOBYISTCQV-OCCSQVGLSA-N 2 0 281.444 1.469 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccccn1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001367731453 958279084 /nfs/dbraw/zinc/27/90/84/958279084.db2.gz LKIXHDDFDABJQA-GZBFAFLISA-N 2 0 290.411 1.016 10 0 CDAERP C[C@H](CNC(=O)C1CC[NH+](C)CC1)C[NH2+]CCC1CC1 ZINC001319238891 958450229 /nfs/dbraw/zinc/45/02/29/958450229.db2.gz YCHCPGUYHZMIBF-ZDUSSCGKSA-N 2 0 281.444 1.470 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H](C)CNC(=O)Cc1ncc[nH]1 ZINC001319256006 958461514 /nfs/dbraw/zinc/46/15/14/958461514.db2.gz BTXJOEUVRUTHGV-NEPJUHHUSA-N 2 0 266.389 1.340 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+]2CC2CCCC2)C1 ZINC001367953044 958511415 /nfs/dbraw/zinc/51/14/15/958511415.db2.gz CEPSHRVMICIYEP-ZBFHGGJFSA-N 2 0 293.455 1.709 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001367963571 958523585 /nfs/dbraw/zinc/52/35/85/958523585.db2.gz TZHPANCYAZMJDQ-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)CC[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001368036820 958597739 /nfs/dbraw/zinc/59/77/39/958597739.db2.gz NKFSHLHUSMAKJG-AWEZNQCLSA-N 2 0 283.460 1.857 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001319573893 958638637 /nfs/dbraw/zinc/63/86/37/958638637.db2.gz ILYLGTKYIZUPHY-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP CCC1([NH2+]C[C@H](C)O)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001368594110 958990276 /nfs/dbraw/zinc/99/02/76/958990276.db2.gz MKLCXXWNUUHEPN-AWEZNQCLSA-N 2 0 299.459 1.070 10 0 CDAERP CCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001368606189 958991550 /nfs/dbraw/zinc/99/15/50/958991550.db2.gz MWYXTIPCNKWDQJ-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CCC(C)C ZINC001368699548 959055882 /nfs/dbraw/zinc/05/58/82/959055882.db2.gz UEEFFOUBVJDJCP-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CC[NH2+]CC(C)(C)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001368902768 959239393 /nfs/dbraw/zinc/23/93/93/959239393.db2.gz FCQKJMNATCLSKS-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@@H](CC[NH2+]CC1CCC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001320607059 959271159 /nfs/dbraw/zinc/27/11/59/959271159.db2.gz IJHBGBSQMNDDHJ-ZFWWWQNUSA-N 2 0 281.444 1.613 10 0 CDAERP CCN(CC[NH2+]CC=C(C)C)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001320902421 959449800 /nfs/dbraw/zinc/44/98/00/959449800.db2.gz HIHXYOGWZGEVJU-KRWDZBQOSA-N 2 0 293.455 1.877 10 0 CDAERP C[C@@H](F)CC[NH2+]CC1(NC(=O)CC[NH+](C)C)CCCC1 ZINC001495188607 972435549 /nfs/dbraw/zinc/43/55/49/972435549.db2.gz YQGGFUPSBNYFHE-CYBMUJFWSA-N 2 0 287.423 1.705 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001369412584 959671705 /nfs/dbraw/zinc/67/17/05/959671705.db2.gz NANDXHTZBHYNCE-OFQRWUPVSA-N 2 0 299.434 1.799 10 0 CDAERP CC[C@H](F)C[NH2+]C/C=C\CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001321334676 959726935 /nfs/dbraw/zinc/72/69/35/959726935.db2.gz CALVCXVZBRBRLX-MRYXHSKJSA-N 2 0 285.407 1.338 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H](C)C1CC[NH+](CCOC)CC1 ZINC001369567122 959763657 /nfs/dbraw/zinc/76/36/57/959763657.db2.gz ACGRBXCKBJQWEI-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001321740036 959927968 /nfs/dbraw/zinc/92/79/68/959927968.db2.gz QGWWCUMRLLLTSV-OLZOCXBDSA-N 2 0 269.433 1.469 10 0 CDAERP C[C@@H](C[NH2+]CC[C@@H]1CCCO1)NC(=O)C1([NH+](C)C)CCC1 ZINC001321871097 959994344 /nfs/dbraw/zinc/99/43/44/959994344.db2.gz VMEGRHVQUAHUMG-KBPBESRZSA-N 2 0 297.443 1.134 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001370432695 960100750 /nfs/dbraw/zinc/10/07/50/960100750.db2.gz VUDNUWPFVZRIEN-CABCVRRESA-N 2 0 299.434 1.801 10 0 CDAERP CN(CCC[NH2+]Cc1ccccc1)C(=O)C[NH+]1CCCC1 ZINC001322834450 960337707 /nfs/dbraw/zinc/33/77/07/960337707.db2.gz CXQIFRDTTWZYJF-UHFFFAOYSA-N 2 0 289.423 1.721 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001418585686 960764083 /nfs/dbraw/zinc/76/40/83/960764083.db2.gz AMYZBTIDJGRREM-GJZGRUSLSA-N 2 0 281.444 1.517 10 0 CDAERP C[NH+](C)CC(C)(C)NC(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC001434049126 960935141 /nfs/dbraw/zinc/93/51/41/960935141.db2.gz FXUULRBKMCIFCB-UHFFFAOYSA-N 2 0 293.411 1.945 10 0 CDAERP CC[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H](C)[NH2+]1 ZINC001434215872 961094122 /nfs/dbraw/zinc/09/41/22/961094122.db2.gz QGEDXVFPDMFRIW-WCQYABFASA-N 2 0 286.379 1.855 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001419469519 961739519 /nfs/dbraw/zinc/73/95/19/961739519.db2.gz FBLLLUJGFNETCY-XPABHHOTSA-N 2 0 281.444 1.610 10 0 CDAERP O=C(N[C@H]1C[C@@H]([NH2+]C/C=C/Cl)C1)C12CCC[NH+]1CCC2 ZINC001419480011 961752484 /nfs/dbraw/zinc/75/24/84/961752484.db2.gz DJQAULXHLWGGEQ-IPBFNNSJSA-N 2 0 297.830 1.604 10 0 CDAERP CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](c2ccccc2)N(C)C)C1 ZINC001419511243 961775490 /nfs/dbraw/zinc/77/54/90/961775490.db2.gz JKPNHISNMUZAJE-ZNMIVQPWSA-N 2 0 275.396 1.546 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]C/C=C/Cl ZINC001419842882 962151115 /nfs/dbraw/zinc/15/11/15/962151115.db2.gz UHNAWGDEJVSGBQ-IEZGYGFOSA-N 2 0 287.835 1.564 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]CCC(F)(F)F ZINC001419943618 962267821 /nfs/dbraw/zinc/26/78/21/962267821.db2.gz ZTFXNYZTFFNHKE-SNVBAGLBSA-N 2 0 283.338 1.373 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N(C)CC[NH+](C)CCC2CC2)CC[N@@H+]1C ZINC001420019444 962381000 /nfs/dbraw/zinc/38/10/00/962381000.db2.gz YOWBJWWUZMRDJC-HOCLYGCPSA-N 2 0 295.471 1.907 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC1CCCC1)C1CC1 ZINC001436777106 962413890 /nfs/dbraw/zinc/41/38/90/962413890.db2.gz JECZYAVTXAOXFT-HOTGVXAUSA-N 2 0 293.455 1.755 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001436958041 962525968 /nfs/dbraw/zinc/52/59/68/962525968.db2.gz FZPRLMCQJJDUPS-BYNSBNAKSA-N 2 0 281.444 1.754 10 0 CDAERP Cc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001437260849 962777151 /nfs/dbraw/zinc/77/71/51/962777151.db2.gz LXNFLIPETGLWRY-GOEBONIOSA-N 2 0 289.423 1.541 10 0 CDAERP C[N@H+](CCCF)C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001437989997 963272119 /nfs/dbraw/zinc/27/21/19/963272119.db2.gz NBOXCQOTYQQKRF-CQSZACIVSA-N 2 0 285.407 1.222 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001420851727 963304665 /nfs/dbraw/zinc/30/46/65/963304665.db2.gz JTELRCHXNAXMIE-HUUCEWRRSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CCF)C1 ZINC001420936691 963369928 /nfs/dbraw/zinc/36/99/28/963369928.db2.gz HREVBUWRNPODFD-CABCVRRESA-N 2 0 299.434 1.609 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](C[NH+](C)CCF)C2)C1 ZINC001420947358 963380339 /nfs/dbraw/zinc/38/03/39/963380339.db2.gz POFCPOALUPYYFO-UONOGXRCSA-N 2 0 285.407 1.078 10 0 CDAERP CC(C)C[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001420952939 963382581 /nfs/dbraw/zinc/38/25/81/963382581.db2.gz KNVVGOGJDGWXOQ-AWEZNQCLSA-N 2 0 281.444 1.755 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]CC1CCCC1 ZINC001438703845 963529549 /nfs/dbraw/zinc/52/95/49/963529549.db2.gz ARJUJVQKVHEMIE-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC1CCCC1 ZINC001421384585 963581643 /nfs/dbraw/zinc/58/16/43/963581643.db2.gz RMMAPIDVILQPEM-GJZGRUSLSA-N 2 0 281.444 1.755 10 0 CDAERP CO[C@H](C)C[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001438904350 963596007 /nfs/dbraw/zinc/59/60/07/963596007.db2.gz VTNCBAADKSWHJR-ZNMIVQPWSA-N 2 0 299.459 1.142 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]Cc1ccccc1)C1CC1 ZINC001439476360 963769265 /nfs/dbraw/zinc/76/92/65/963769265.db2.gz XMPYJCBOZACKBO-INIZCTEOSA-N 2 0 289.423 1.623 10 0 CDAERP CC[NH2+]C1(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001439647762 963830251 /nfs/dbraw/zinc/83/02/51/963830251.db2.gz VPKHLQNPYSWIDR-HNNXBMFYSA-N 2 0 285.407 1.457 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001439785624 963860631 /nfs/dbraw/zinc/86/06/31/963860631.db2.gz WPAVXMIRRBZPEZ-CABCVRRESA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](C(=O)N[C@]1(C)CC[N@H+](CCCF)C1)[NH+](C)C ZINC001439871941 963886283 /nfs/dbraw/zinc/88/62/83/963886283.db2.gz VFZPBQTYRIDHAV-TZMCWYRMSA-N 2 0 273.396 1.267 10 0 CDAERP CC(C)CC[NH2+]C1(C)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001440610832 964119812 /nfs/dbraw/zinc/11/98/12/964119812.db2.gz SOCCCARMJZBMBE-UHFFFAOYSA-N 2 0 283.460 1.955 10 0 CDAERP O=C(CC[N@H+]1CC[C@@H](F)C1)NCCC[NH+]1CCCCC1 ZINC001440646169 964125396 /nfs/dbraw/zinc/12/53/96/964125396.db2.gz VVZQHXBIIBVHTL-CQSZACIVSA-N 2 0 285.407 1.413 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCF)[C@@H](C)C1 ZINC001440654157 964129191 /nfs/dbraw/zinc/12/91/91/964129191.db2.gz TWIRHHHTHJBYDA-STQMWFEESA-N 2 0 273.396 1.265 10 0 CDAERP CC(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001440734501 964150383 /nfs/dbraw/zinc/15/03/83/964150383.db2.gz PKSOHYZSHKXZHD-HNNXBMFYSA-N 2 0 281.444 1.661 10 0 CDAERP CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001440988693 964310660 /nfs/dbraw/zinc/31/06/60/964310660.db2.gz LPRWGTVYIBMTDQ-CABCVRRESA-N 2 0 293.455 1.851 10 0 CDAERP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)CC1CC(C)(C)C1 ZINC001441022095 964330090 /nfs/dbraw/zinc/33/00/90/964330090.db2.gz JLTMCBGPBKXTTP-CQSZACIVSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001441346994 964469963 /nfs/dbraw/zinc/46/99/63/964469963.db2.gz CEZJVPONMZQUJM-FVQBIDKESA-N 2 0 293.455 1.469 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCCCO2)C1 ZINC001441441316 964516779 /nfs/dbraw/zinc/51/67/79/964516779.db2.gz PVURVGHOJNYYRN-KKUMJFAQSA-N 2 0 297.443 1.133 10 0 CDAERP CN(C(=O)C[NH+]1CCCC1)C1CC([NH2+]C/C=C\Cl)C1 ZINC001442246801 964959857 /nfs/dbraw/zinc/95/98/57/964959857.db2.gz IRJUHNYYZAHFDQ-PLNGDYQASA-N 2 0 285.819 1.414 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CCC[NH+]2CC2CC2)C1 ZINC001442809949 965227187 /nfs/dbraw/zinc/22/71/87/965227187.db2.gz MKOGLIWSYHQVJQ-HUUCEWRRSA-N 2 0 279.428 1.319 10 0 CDAERP CCC[N@H+](CCF)CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001442951860 965292359 /nfs/dbraw/zinc/29/23/59/965292359.db2.gz GKODXALBYAWJFK-LSDHHAIUSA-N 2 0 299.434 1.801 10 0 CDAERP CCC[NH+]1CC(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001443614258 965536238 /nfs/dbraw/zinc/53/62/38/965536238.db2.gz NCOUIZLJEUPNFW-INIZCTEOSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC1C[NH+](Cc2ccsc2)C1 ZINC001443656800 965550743 /nfs/dbraw/zinc/55/07/43/965550743.db2.gz ZMLWFMSFLGPURK-UHFFFAOYSA-N 2 0 295.452 1.636 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+]2CC)C1 ZINC001444890877 965993267 /nfs/dbraw/zinc/99/32/67/965993267.db2.gz DVCKFXCAJUQQAC-ZIAGYGMSSA-N 2 0 267.417 1.271 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1CC[C@H]1CCCO1 ZINC001446120381 966455580 /nfs/dbraw/zinc/45/55/80/966455580.db2.gz FAFKMANSSZIAQF-LSDHHAIUSA-N 2 0 297.443 1.086 10 0 CDAERP Cc1c([C@@H](C)[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cnn1C ZINC001350646238 966724407 /nfs/dbraw/zinc/72/44/07/966724407.db2.gz DKWQERCRNVERAA-NDNKKMJESA-N 2 0 262.401 1.910 10 0 CDAERP CC[C@@H](C)C[NH2+][C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001447514534 966804062 /nfs/dbraw/zinc/80/40/62/966804062.db2.gz DKYSWQNLJGAIPD-KFWWJZLASA-N 2 0 283.460 1.953 10 0 CDAERP CN(CC(C)(C)C[NH2+]CC1CCC1)C(=O)C[NH+]1CCCC1 ZINC001447986210 966950572 /nfs/dbraw/zinc/95/05/72/966950572.db2.gz CYCAPDYTKQSKBH-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3CC3)C[C@H]21)[NH+](C)C ZINC001448467258 967119854 /nfs/dbraw/zinc/11/98/54/967119854.db2.gz ODANOTPYBGXJPT-JONQDZQNSA-N 2 0 293.455 1.277 10 0 CDAERP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]CCC(F)(F)F ZINC001448783431 967252553 /nfs/dbraw/zinc/25/25/53/967252553.db2.gz LZRDXTWMADSALA-NSHDSACASA-N 2 0 295.349 1.471 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CCC2CC2)C[C@@H]1C ZINC001449018626 967338587 /nfs/dbraw/zinc/33/85/87/967338587.db2.gz RWHJZUDULBZTIY-DZGCQCFKSA-N 2 0 281.444 1.707 10 0 CDAERP CC[N@@H+]1CCN(C(=O)[C@H](C)CC[NH+](C)C)[C@H](C)C1 ZINC001449341093 967438826 /nfs/dbraw/zinc/43/88/26/967438826.db2.gz YGDKDUJIUCQTAN-CHWSQXEVSA-N 2 0 255.406 1.127 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC001452133304 968069479 /nfs/dbraw/zinc/06/94/79/968069479.db2.gz KCPDZPIQBPNMJI-MGPQQGTHSA-N 2 0 281.444 1.704 10 0 CDAERP CCOC(=O)/C=C/C[N@@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC001459632023 969442544 /nfs/dbraw/zinc/44/25/44/969442544.db2.gz XCKMXQWYFGCCFY-MVGZEHJDSA-N 2 0 298.427 1.538 10 0 CDAERP COC(=O)CCC[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001460943413 969569718 /nfs/dbraw/zinc/56/97/18/969569718.db2.gz MABRVSFSHPJHCX-UHFFFAOYSA-N 2 0 298.427 1.252 10 0 CDAERP O=C(CC[N@H+]1CC[C@H](F)C1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC001465296161 969861863 /nfs/dbraw/zinc/86/18/63/969861863.db2.gz GCISCCFYHCGUPH-CABCVRRESA-N 2 0 297.418 1.365 10 0 CDAERP CCCN(C(=O)[C@H](C)CC[NH+](C)C)[C@H]1CC[N@H+](C)C1 ZINC001469350897 970243051 /nfs/dbraw/zinc/24/30/51/970243051.db2.gz KTNLAUZVNNJKQJ-KGLIPLIRSA-N 2 0 269.433 1.517 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC001361747532 970487299 /nfs/dbraw/zinc/48/72/99/970487299.db2.gz NIUBHIHWUKDMFM-HOCLYGCPSA-N 2 0 291.439 1.993 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001371575057 972555877 /nfs/dbraw/zinc/55/58/77/972555877.db2.gz BLIJPMYWNKISKS-GJZGRUSLSA-N 2 0 281.444 1.565 10 0 CDAERP COCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001371679132 972588560 /nfs/dbraw/zinc/58/85/60/972588560.db2.gz VIWYCSOYWAAVPC-CABCVRRESA-N 2 0 297.443 1.040 10 0 CDAERP C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1 ZINC001371878082 972668171 /nfs/dbraw/zinc/66/81/71/972668171.db2.gz JIMUVFRNFCACSG-ZBFHGGJFSA-N 2 0 289.423 1.623 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001496229594 972848842 /nfs/dbraw/zinc/84/88/42/972848842.db2.gz JQGDJVMZOSQDQO-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C(C)C ZINC001496575598 972976386 /nfs/dbraw/zinc/97/63/86/972976386.db2.gz PZKJBSBDTVJERA-GJZGRUSLSA-N 2 0 283.460 1.857 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CCC[NH+]2CCC2CC2)C1 ZINC001372569101 973022971 /nfs/dbraw/zinc/02/29/71/973022971.db2.gz MXFYOZJAZNYNAH-HZPDHXFCSA-N 2 0 293.455 1.709 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001372647815 973058153 /nfs/dbraw/zinc/05/81/53/973058153.db2.gz JNNAFIGPYNCOTO-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP CN(CC[N@H+](C)CCOC1CCC1)C(=O)C[NH+]1CCCC1 ZINC001496835048 973113806 /nfs/dbraw/zinc/11/38/06/973113806.db2.gz DPPPXFKMOWJXDB-UHFFFAOYSA-N 2 0 297.443 1.042 10 0 CDAERP CC(C)=CC[NH2+]CC[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001497206231 973245028 /nfs/dbraw/zinc/24/50/28/973245028.db2.gz RSLYUNNQWSDQLC-CQSZACIVSA-N 2 0 281.444 1.921 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]CC1CC1)[NH+](C)C ZINC001497265793 973268520 /nfs/dbraw/zinc/26/85/20/973268520.db2.gz AKSQYZCNAORMLT-AAEUAGOBSA-N 2 0 255.406 1.221 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC001417683287 973279297 /nfs/dbraw/zinc/27/92/97/973279297.db2.gz JMQPAXHNWDRKAG-ZIAGYGMSSA-N 2 0 283.460 1.763 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]CC1CC1 ZINC001497334109 973290158 /nfs/dbraw/zinc/29/01/58/973290158.db2.gz WSJWYMJDWPSLNK-DZGCQCFKSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001417787385 973385884 /nfs/dbraw/zinc/38/58/84/973385884.db2.gz VQCINIYKICMLGJ-MGPQQGTHSA-N 2 0 299.434 1.703 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CCCC1CCC1 ZINC001497549272 973402239 /nfs/dbraw/zinc/40/22/39/973402239.db2.gz OGAPHBQSWDAXQJ-YPQKKHBXSA-N 2 0 293.455 1.923 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCC[NH+](CCCF)C1 ZINC001373379209 973402984 /nfs/dbraw/zinc/40/29/84/973402984.db2.gz MAJUYGXKXFANTC-CABCVRRESA-N 2 0 299.434 1.801 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC/C=C/C[NH2+]CC[C@H](C)F)CC[N@@H+]1C ZINC001497586705 973422215 /nfs/dbraw/zinc/42/22/15/973422215.db2.gz XUOXDFTYMQAMTF-IRRAIKHBSA-N 2 0 299.434 1.727 10 0 CDAERP CCCC[N@@H+]1CCC[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001418129762 973602387 /nfs/dbraw/zinc/60/23/87/973602387.db2.gz RHSOPHZODJPEDZ-HZPDHXFCSA-N 2 0 295.471 1.957 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001497993638 973603200 /nfs/dbraw/zinc/60/32/00/973603200.db2.gz RNHRNIHPWKCCJT-VXGBXAGGSA-N 2 0 261.385 1.169 10 0 CDAERP CC[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CCC1CC1 ZINC001373819135 973655663 /nfs/dbraw/zinc/65/56/63/973655663.db2.gz DAJYJCIYVUTZTI-CABCVRRESA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)[NH2+]C(C)C ZINC001373833625 973661336 /nfs/dbraw/zinc/66/13/36/973661336.db2.gz GQTWAWNURMTHFN-LSDHHAIUSA-N 2 0 283.460 2.000 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+]Cc1ccc(F)cn1 ZINC001374078312 973766498 /nfs/dbraw/zinc/76/64/98/973766498.db2.gz UUWUIRQQSJVTSJ-LBPRGKRZSA-N 2 0 296.390 1.014 10 0 CDAERP CC(C)[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001498760562 974053429 /nfs/dbraw/zinc/05/34/29/974053429.db2.gz OELMFBVIFVYBOD-GJZGRUSLSA-N 2 0 281.444 1.752 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@]1(C)CC[NH+](CC2CC2)C1 ZINC001500228486 974406620 /nfs/dbraw/zinc/40/66/20/974406620.db2.gz WLBZPDYOFNDUID-WBVHZDCISA-N 2 0 293.455 1.851 10 0 CDAERP CC(C)[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001375507946 974407771 /nfs/dbraw/zinc/40/77/71/974407771.db2.gz ZBINTEBILBNCTE-UONOGXRCSA-N 2 0 279.428 1.650 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@]1(C)CC[NH+](CCC2CC2)C1 ZINC001500292915 974416221 /nfs/dbraw/zinc/41/62/21/974416221.db2.gz OWLDOXPUWGDDRT-MRXNPFEDSA-N 2 0 281.444 1.707 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]CC2CC2)C2CCCC2)C1 ZINC001375794492 974478755 /nfs/dbraw/zinc/47/87/55/974478755.db2.gz YGEGGFBHNZRVRN-CVEARBPZSA-N 2 0 293.455 1.613 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CCCF)C1 ZINC001501582583 974603118 /nfs/dbraw/zinc/60/31/18/974603118.db2.gz VZDIDDPXBDBFSA-LSDHHAIUSA-N 2 0 299.434 1.659 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH2+]CC1CC1)C1CC1 ZINC001376271448 974617964 /nfs/dbraw/zinc/61/79/64/974617964.db2.gz GPDREFFVXMZGDU-HOTGVXAUSA-N 2 0 293.455 1.755 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001502026061 974677102 /nfs/dbraw/zinc/67/71/02/974677102.db2.gz LPEAROVQQHSEQH-QWHCGFSZSA-N 2 0 285.407 1.315 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]C/C=C/Cl ZINC001376728529 974746821 /nfs/dbraw/zinc/74/68/21/974746821.db2.gz CJGFJVJNUWVHTI-JHSWMASBSA-N 2 0 287.835 1.708 10 0 CDAERP C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1[NH2+]CCCF ZINC001502738401 974772792 /nfs/dbraw/zinc/77/27/92/974772792.db2.gz NUDOIKNIZDLVMR-JSGCOSHPSA-N 2 0 285.407 1.124 10 0 CDAERP Cc1ncoc1C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001376799177 974774023 /nfs/dbraw/zinc/77/40/23/974774023.db2.gz ZEXWPCYTUMDOKL-YPMHNXCESA-N 2 0 294.399 1.062 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@H](C[NH2+]Cc2ccns2)C1 ZINC001376946879 974826760 /nfs/dbraw/zinc/82/67/60/974826760.db2.gz YHRNDMGPIKAHKA-GFCCVEGCSA-N 2 0 296.440 1.033 10 0 CDAERP Cc1ncoc1C[NH2+][C@@H](C)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001505679502 974961242 /nfs/dbraw/zinc/96/12/42/974961242.db2.gz VRKDWYSUPFDRNM-RYUDHWBXSA-N 2 0 296.415 1.308 10 0 CDAERP C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)[NH2+]CCF ZINC001505694581 974966288 /nfs/dbraw/zinc/96/62/88/974966288.db2.gz PMLVZJCROTYJCB-RYUDHWBXSA-N 2 0 275.412 1.417 10 0 CDAERP CC[NH2+]CC(C)(C)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001505845752 974999583 /nfs/dbraw/zinc/99/95/83/974999583.db2.gz ZXZYESRYHZENSE-ZDUSSCGKSA-N 2 0 269.433 1.422 10 0 CDAERP CC[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1cnc(C)o1)[NH+](C)C ZINC001377513721 975059023 /nfs/dbraw/zinc/05/90/23/975059023.db2.gz QAEXKEUSCXJBOG-FZMZJTMJSA-N 2 0 296.415 1.308 10 0 CDAERP CC[C@H](F)C[NH2+][C@@H](C)CCNC(=O)C[NH+]1CCCC1 ZINC001377523997 975063442 /nfs/dbraw/zinc/06/34/42/975063442.db2.gz LMZMTXJGAVFPME-STQMWFEESA-N 2 0 273.396 1.315 10 0 CDAERP CO[C@@H](C)C[NH2+]C[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001377615656 975088563 /nfs/dbraw/zinc/08/85/63/975088563.db2.gz LGCGAXNQKAOGRP-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP C[N@H+](CCCF)C[C@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001377672427 975106434 /nfs/dbraw/zinc/10/64/34/975106434.db2.gz RGZNHUBNZZQHCS-ZIAGYGMSSA-N 2 0 285.407 1.221 10 0 CDAERP CC[C@H](F)C[NH2+]CC1CC(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001377733328 975122010 /nfs/dbraw/zinc/12/20/10/975122010.db2.gz JUAGOEXPWJSOKQ-MOKVOYLWSA-N 2 0 287.423 1.559 10 0 CDAERP CC(C)=CC[NH+]1CC([C@@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001506646946 975196241 /nfs/dbraw/zinc/19/62/41/975196241.db2.gz DCOGKETWQHSMEI-CQSZACIVSA-N 2 0 281.444 1.731 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CC[C@@H]1CCCCO1 ZINC001378125723 975251806 /nfs/dbraw/zinc/25/18/06/975251806.db2.gz XXLXSMLLNCXMRR-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)=CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001506913539 975258122 /nfs/dbraw/zinc/25/81/22/975258122.db2.gz GJDMPFQXLINAAC-CABCVRRESA-N 2 0 281.444 1.921 10 0 CDAERP CCN(C(=O)C[NH+]1CC[C@@H](C)C1)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001378205409 975284948 /nfs/dbraw/zinc/28/49/48/975284948.db2.gz ZFNKIFDESQBQCO-HZPDHXFCSA-N 2 0 295.471 1.907 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H](C)C1C[NH+](CC2CC2)C1 ZINC001378517522 975372458 /nfs/dbraw/zinc/37/24/58/975372458.db2.gz MTMLKKVGTMEEEA-WFASDCNBSA-N 2 0 299.434 1.513 10 0 CDAERP CC(C)C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001404405109 975382375 /nfs/dbraw/zinc/38/23/75/975382375.db2.gz NHFZXYKTFDOYIE-GOEBONIOSA-N 2 0 295.471 1.811 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001507408665 975458071 /nfs/dbraw/zinc/45/80/71/975458071.db2.gz DZFUFPDDGOFYDJ-CABCVRRESA-N 2 0 281.444 1.779 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2C[C@H]([NH2+]CC3CCC3)C2)C1 ZINC001388734437 975573668 /nfs/dbraw/zinc/57/36/68/975573668.db2.gz NQZNDNANSHHNTJ-JYJNAYRXSA-N 2 0 293.455 1.613 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]CC2CCC2)C(C)(C)C)C1 ZINC001508031833 975581200 /nfs/dbraw/zinc/58/12/00/975581200.db2.gz ZUOSDHDYDAKBMP-LSDHHAIUSA-N 2 0 295.471 1.859 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC)CC(C)(C)C1 ZINC001388844802 975619895 /nfs/dbraw/zinc/61/98/95/975619895.db2.gz XJXWFRXZAVVJHF-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H](CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CCF ZINC001379134551 975683567 /nfs/dbraw/zinc/68/35/67/975683567.db2.gz HNTADCWTZXNZCG-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP CC[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]C[C@@H](C)OC ZINC001405273551 975699181 /nfs/dbraw/zinc/69/91/81/975699181.db2.gz NGNXYMZAPYTOLC-KGLIPLIRSA-N 2 0 299.459 1.380 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCCCC[C@H]([NH2+]C[C@H](C)O)C1 ZINC001397782452 975716605 /nfs/dbraw/zinc/71/66/05/975716605.db2.gz ZXVNFKOCFPZGMS-GJZGRUSLSA-N 2 0 299.459 1.070 10 0 CDAERP C[C@H](C[NH2+]CC1CCC1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001379355297 975792926 /nfs/dbraw/zinc/79/29/26/975792926.db2.gz CNLKOHRZHIDDGZ-IUODEOHRSA-N 2 0 279.428 1.223 10 0 CDAERP CC(C)OCC[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001401777830 975904588 /nfs/dbraw/zinc/90/45/88/975904588.db2.gz KRHBXXXBWSWFSD-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1ccccc1 ZINC001405914740 975935653 /nfs/dbraw/zinc/93/56/53/975935653.db2.gz MTVQLAUQRRJVPO-OAHLLOKOSA-N 2 0 291.439 1.963 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1CC12CC[NH+](CCF)CC2)[NH+](C)C ZINC001398366242 975955802 /nfs/dbraw/zinc/95/58/02/975955802.db2.gz RDENCWTWOQIDFC-CHWSQXEVSA-N 2 0 285.407 1.267 10 0 CDAERP CCC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001398437958 975984618 /nfs/dbraw/zinc/98/46/18/975984618.db2.gz RVILZLPQGCIJKS-QEJZJMRPSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001389799170 975994537 /nfs/dbraw/zinc/99/45/37/975994537.db2.gz QHQYIZYZGCAVLT-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001398517877 976016576 /nfs/dbraw/zinc/01/65/76/976016576.db2.gz FDJZEFWFCJSEMD-IHRRRGAJSA-N 2 0 285.407 1.409 10 0 CDAERP CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001379918083 976129567 /nfs/dbraw/zinc/12/95/67/976129567.db2.gz MXKKHHHLQDHXKL-LSDHHAIUSA-N 2 0 299.459 1.020 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C ZINC001402483666 976306552 /nfs/dbraw/zinc/30/65/52/976306552.db2.gz LKXGPBQDUQREDT-SOUVJXGZSA-N 2 0 299.434 1.752 10 0 CDAERP Cc1ccccc1C[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001390524234 976350785 /nfs/dbraw/zinc/35/07/85/976350785.db2.gz WPSVRWPBROYILF-ZBFHGGJFSA-N 2 0 289.423 1.541 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC[C@H](C)[NH2+]C/C=C\Cl ZINC001390730078 976459340 /nfs/dbraw/zinc/45/93/40/976459340.db2.gz LBHXJSWDUYJCKK-HWPRWLFBSA-N 2 0 275.824 1.564 10 0 CDAERP CC(C)[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001406999737 976509182 /nfs/dbraw/zinc/50/91/82/976509182.db2.gz BKJWEOPFPDYIPK-AWEZNQCLSA-N 2 0 281.444 1.754 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CC[C@@](C)(C[NH2+]CC3CC3)C2)CC[N@@H+]1C ZINC001407225632 976610134 /nfs/dbraw/zinc/61/01/34/976610134.db2.gz FZRAJSBFNANCBW-UNEWFSDZSA-N 2 0 293.455 1.565 10 0 CDAERP CC[C@H](F)C[N@H+](CC)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001399724136 976659555 /nfs/dbraw/zinc/65/95/55/976659555.db2.gz VELKOJQAQFFWTG-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP CC[C@@H](F)C[N@H+](CC)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001399724141 976659605 /nfs/dbraw/zinc/65/96/05/976659605.db2.gz VELKOJQAQFFWTG-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]1CC[C@@H](C)F ZINC001391072579 976674039 /nfs/dbraw/zinc/67/40/39/976674039.db2.gz TUUBZZDWJVAJHD-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP CO[C@@H](C)C[NH2+]C1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001403038292 976676058 /nfs/dbraw/zinc/67/60/58/976676058.db2.gz GCUANWBSSOLPPW-NFOMZHRRSA-N 2 0 299.459 1.332 10 0 CDAERP O=C(NCC[N@@H+](CCCF)C1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001391159103 976738013 /nfs/dbraw/zinc/73/80/13/976738013.db2.gz FODQTYUZLNFBLB-HNNXBMFYSA-N 2 0 297.418 1.268 10 0 CDAERP Cc1cc(C[NH2+][C@H](C)CNC(=O)C[NH+]2CCCC2)cs1 ZINC001403144010 976758868 /nfs/dbraw/zinc/75/88/68/976758868.db2.gz SMEMJXUDLVVRRG-GFCCVEGCSA-N 2 0 295.452 1.747 10 0 CDAERP CCCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@H+](CC)C1 ZINC001391271168 976784667 /nfs/dbraw/zinc/78/46/67/976784667.db2.gz GSZNMVAFUAFWPQ-HZPDHXFCSA-N 2 0 293.455 1.661 10 0 CDAERP Cc1oncc1C[N@@H+](C)CCCN(C)C(=O)CC[NH+](C)C ZINC001407926061 976836329 /nfs/dbraw/zinc/83/63/29/976836329.db2.gz KYXYTRVVYCUGSN-UHFFFAOYSA-N 2 0 296.415 1.215 10 0 CDAERP CCC[NH2+][C@@H](C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001400085041 976849042 /nfs/dbraw/zinc/84/90/42/976849042.db2.gz OXMXQKLIVJUFLH-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP CCCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCCF)C1 ZINC001400145834 976887574 /nfs/dbraw/zinc/88/75/74/976887574.db2.gz JZAIMKJVTNFXEL-LSDHHAIUSA-N 2 0 299.434 1.611 10 0 CDAERP CCC(CC)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001391540486 976942558 /nfs/dbraw/zinc/94/25/58/976942558.db2.gz YFSGCXGFIISPNB-GJZGRUSLSA-N 2 0 281.444 1.659 10 0 CDAERP CC(C)[NH2+][C@H](CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001381721366 976991200 /nfs/dbraw/zinc/99/12/00/976991200.db2.gz VQFKHJOIXFSGMU-LSDHHAIUSA-N 2 0 283.460 1.809 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001408333402 977013186 /nfs/dbraw/zinc/01/31/86/977013186.db2.gz KEJRIHVLTVCXEM-GJZGRUSLSA-N 2 0 281.444 1.661 10 0 CDAERP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CCCCC1 ZINC001382163620 977194528 /nfs/dbraw/zinc/19/45/28/977194528.db2.gz QBZLITSBFAOFOX-GDBMZVCRSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001392076446 977214539 /nfs/dbraw/zinc/21/45/39/977214539.db2.gz UAPZFJUBRXZKFC-OLZOCXBDSA-N 2 0 287.423 1.655 10 0 CDAERP CC(C)[NH2+]CC[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001392182579 977247594 /nfs/dbraw/zinc/24/75/94/977247594.db2.gz RUJYKNQIJATMKG-HNNXBMFYSA-N 2 0 281.444 1.851 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)CC[NH+](C)Cc1ccsc1 ZINC001392322586 977407641 /nfs/dbraw/zinc/40/76/41/977407641.db2.gz MIZQDQAOSBQALI-UHFFFAOYSA-N 2 0 297.468 1.980 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(F)cc1)[NH+](C)C ZINC001392607721 977502940 /nfs/dbraw/zinc/50/29/40/977502940.db2.gz CGBSUYVICLCPOB-SWLSCSKDSA-N 2 0 295.402 1.760 10 0 CDAERP O=C(NCC1([NH2+]C/C=C/Cl)CC1)C12CC[NH+](CC1)C2 ZINC001392948442 977660446 /nfs/dbraw/zinc/66/04/46/977660446.db2.gz KGXHDVMZNRTREN-LZCJLJQNSA-N 2 0 283.803 1.073 10 0 CDAERP CC(C)[NH+](C)CC(=O)N[C@@]1(C)CC[N@@H+](CCC[C@@H](C)O)C1 ZINC001393125629 977712424 /nfs/dbraw/zinc/71/24/24/977712424.db2.gz MNPCERYHSXWUFB-ZBFHGGJFSA-N 2 0 299.459 1.068 10 0 CDAERP C[NH+](C)CCC(=O)NCC1(C)CC[NH+](CCC2CC2)CC1 ZINC001393180097 977724730 /nfs/dbraw/zinc/72/47/30/977724730.db2.gz GNOCUCCSYYUWRG-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CC[N@@H+]1CCC[C@](C)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001393208968 977733354 /nfs/dbraw/zinc/73/33/54/977733354.db2.gz WCBWFTLGNKKXOJ-OAHLLOKOSA-N 2 0 279.428 1.320 10 0 CDAERP CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001393984372 977995037 /nfs/dbraw/zinc/99/50/37/977995037.db2.gz CVMWOAQDRTZIBU-QWHCGFSZSA-N 2 0 281.444 1.611 10 0 CDAERP CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1cncs1)[NH+](C)C ZINC001394526454 978192737 /nfs/dbraw/zinc/19/27/37/978192737.db2.gz HCUNAKUTFADHBC-AAEUAGOBSA-N 2 0 298.456 1.420 10 0 CDAERP CCC[NH2+]CC1CC(NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001570565854 1170190567 /nfs/dbraw/zinc/19/05/67/1170190567.db2.gz GXVVKSXYABZEQD-UHFFFAOYSA-N 2 0 279.428 1.509 10 0 CDAERP CCCC[C@H](C[NH2+]CC)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001570808033 1170284509 /nfs/dbraw/zinc/28/45/09/1170284509.db2.gz XZCMRAIWFLQUHS-OLZOCXBDSA-N 2 0 255.406 1.365 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C1C[NH+](C(C)C)C1)[NH+](C)C ZINC001570845050 1170298734 /nfs/dbraw/zinc/29/87/34/1170298734.db2.gz BJBKRSUIBBZOGH-WCQYABFASA-N 2 0 255.406 1.172 10 0 CDAERP CCCC[NH+]1CC([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001570853953 1170302780 /nfs/dbraw/zinc/30/27/80/1170302780.db2.gz LPPFPQQAXJORQK-LBPRGKRZSA-N 2 0 255.406 1.175 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCCF)C[C@@H]1C ZINC001671251548 1171158359 /nfs/dbraw/zinc/15/83/59/1171158359.db2.gz LBBLCAQHLMLNRF-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP CO[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]1C ZINC001657025673 1171916139 /nfs/dbraw/zinc/91/61/39/1171916139.db2.gz JVKDMWOXABLUBV-ZNMIVQPWSA-N 2 0 299.459 1.332 10 0 CDAERP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCC[N@H+](C)C2)o1 ZINC000618424038 349459501 /nfs/dbraw/zinc/45/95/01/349459501.db2.gz PLVWZLARJCKOCC-ZDUSSCGKSA-N 2 0 293.411 1.945 10 0 CDAERP CCC(CC)[NH2+]C[C@H](O)CO[C@@H]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000675080762 539085868 /nfs/dbraw/zinc/08/58/68/539085868.db2.gz VKPACULMDKNVFG-HNKHHVNMSA-N 2 0 284.444 1.673 10 0 CDAERP COC[C@H](C)C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650708347 398151103 /nfs/dbraw/zinc/15/11/03/398151103.db2.gz YFMREHZXEDEODM-QPSCCSFWSA-N 2 0 270.417 1.487 10 0 CDAERP [NH3+]CC1(CC[NH2+]Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000650712329 398154881 /nfs/dbraw/zinc/15/48/81/398154881.db2.gz ARKOZGOYSCDGQL-UHFFFAOYSA-N 2 0 271.368 1.690 10 0 CDAERP Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+]C1CCC(C[NH3+])CC1 ZINC000650724861 398163380 /nfs/dbraw/zinc/16/33/80/398163380.db2.gz NQSWSEAZGRNSNG-PIMMBPRGSA-N 2 0 289.423 1.870 10 0 CDAERP C[C@H](NC[C@H](O)C[N@H+](C)C1CC1)c1ccc2c(c1)OCO2 ZINC000351572480 361768473 /nfs/dbraw/zinc/76/84/73/361768473.db2.gz DJONUYZAABBKEA-FZMZJTMJSA-N 2 0 292.379 1.521 10 0 CDAERP CC(C)[NH+]1CCC([N@H+](C)CCOC2CCOCC2)CC1 ZINC000625130358 342033332 /nfs/dbraw/zinc/03/33/32/342033332.db2.gz UFKATWUAWQBMDI-UHFFFAOYSA-N 2 0 284.444 1.987 10 0 CDAERP C[C@@H]1C[C@@H](N(C)CC(=O)NCC(C)(C)C)CC[N@@H+]1C ZINC000625213679 342041540 /nfs/dbraw/zinc/04/15/40/342041540.db2.gz NZRSPJSTLIMOBS-OLZOCXBDSA-N 2 0 269.433 1.563 10 0 CDAERP Cc1ccsc1[C@H](CO)NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351604150 361794683 /nfs/dbraw/zinc/79/46/83/361794683.db2.gz DMSVVRHHMDYLKH-OLZOCXBDSA-N 2 0 284.425 1.135 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000617014137 342607837 /nfs/dbraw/zinc/60/78/37/342607837.db2.gz GBCRWCXBMVKUNO-KGLIPLIRSA-N 2 0 281.444 1.850 10 0 CDAERP C[C@H](CC(=O)N1CCCCCC1)[NH2+]CC1([NH3+])CCOCC1 ZINC000629388591 361906739 /nfs/dbraw/zinc/90/67/39/361906739.db2.gz PTGCDJGDLXUWPC-CQSZACIVSA-N 2 0 297.443 1.265 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000629391957 361907864 /nfs/dbraw/zinc/90/78/64/361907864.db2.gz FYINXWGRMBWHDP-NVXWUHKLSA-N 2 0 291.439 1.648 10 0 CDAERP CN(C[C@@H](O)C[NH2+][C@]1(CO)CCCC(C)(C)C1)C1CC1 ZINC000625836423 342203280 /nfs/dbraw/zinc/20/32/80/342203280.db2.gz GEOYRFLOCASYGS-GOEBONIOSA-N 2 0 284.444 1.362 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CC(C)(C)C1(O)CCCC1 ZINC000423168863 536592913 /nfs/dbraw/zinc/59/29/13/536592913.db2.gz VBGLOVFZPMSKJX-CYBMUJFWSA-N 2 0 272.433 1.661 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCc1ccc(F)cc1 ZINC000234720614 536595205 /nfs/dbraw/zinc/59/52/05/536595205.db2.gz HUDVNEHZEJWTGW-CQSZACIVSA-N 2 0 254.349 1.712 10 0 CDAERP CC1CC[NH+](CC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)CC1 ZINC000335424759 539064940 /nfs/dbraw/zinc/06/49/40/539064940.db2.gz HYGMQPXQGDIZQN-MRXNPFEDSA-N 2 0 279.428 1.320 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000594292750 342888187 /nfs/dbraw/zinc/88/81/87/342888187.db2.gz DUJHFBSRSOOJEH-HUUCEWRRSA-N 2 0 294.443 1.350 10 0 CDAERP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)[C@@H]1C ZINC000600710203 342243683 /nfs/dbraw/zinc/24/36/83/342243683.db2.gz QVXFNPNEGLAPTE-RFGFWPKPSA-N 2 0 280.412 1.838 10 0 CDAERP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)[C@H]1C ZINC000594509057 342914995 /nfs/dbraw/zinc/91/49/95/342914995.db2.gz HKGWQDNRNUUIEL-LXFSFDBISA-N 2 0 282.428 1.894 10 0 CDAERP COC(=O)C[C@@H]1CC[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)[C@@H]1C ZINC000594509059 342915035 /nfs/dbraw/zinc/91/50/35/342915035.db2.gz HKGWQDNRNUUIEL-NIFZNCRKSA-N 2 0 282.428 1.894 10 0 CDAERP C[C@@H](CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1)[S@@](C)=O ZINC000594932347 342975483 /nfs/dbraw/zinc/97/54/83/342975483.db2.gz ZUQGECWKJSSNGF-FKIZINRSSA-N 2 0 292.408 1.514 10 0 CDAERP CCC[NH+]1CCC([NH2+][C@H](C)[C@H]2C[C@@H]2C(=O)OC)CC1 ZINC000594920212 342986909 /nfs/dbraw/zinc/98/69/09/342986909.db2.gz SXPDJQHUWQNIEL-BNOWGMLFSA-N 2 0 268.401 1.648 10 0 CDAERP C[C@@H]1C[C@H]1N1C[C@H]([NH2+]C2CCC(C[NH3+])CC2)CC1=O ZINC000567647622 362036745 /nfs/dbraw/zinc/03/67/45/362036745.db2.gz AUCVNRKWDKPEDJ-MGBPRESASA-N 2 0 265.401 1.103 10 0 CDAERP CC[C@H]1C[C@@H](C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)CCO1 ZINC000441356873 362006976 /nfs/dbraw/zinc/00/69/76/362006976.db2.gz RNEPMCUHKJJRMW-HOTGVXAUSA-N 2 0 297.487 1.807 10 0 CDAERP C[N@@H+]1C[C@@H](CO)C2(C1)CC[NH+](C1CCCC1)CC2 ZINC000169791319 362140178 /nfs/dbraw/zinc/14/01/78/362140178.db2.gz RRRSNCDMFPTWGI-ZDUSSCGKSA-N 2 0 252.402 1.565 10 0 CDAERP C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)OC1CCOCC1 ZINC000629532384 362164271 /nfs/dbraw/zinc/16/42/71/362164271.db2.gz XOWGUFCZYPDIQF-HOTGVXAUSA-N 2 0 296.455 1.894 10 0 CDAERP C[C@H]1CN(C(=O)NC2CCC(C[NH+](C)C)CC2)[C@@H](C)C[NH2+]1 ZINC000334925025 290701486 /nfs/dbraw/zinc/70/14/86/290701486.db2.gz QWMKVHIVLYIQRF-HESLUPGFSA-N 2 0 296.459 1.499 10 0 CDAERP CN(C(=O)CC[C@H]1CCCC[N@@H+]1C)[C@H]1CC[NH2+]C1 ZINC000572958926 362250987 /nfs/dbraw/zinc/25/09/87/362250987.db2.gz RPBCWQSZTNERRB-OLZOCXBDSA-N 2 0 253.390 1.071 10 0 CDAERP CCN(CC)C(=O)CN1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000316208324 362292210 /nfs/dbraw/zinc/29/22/10/362292210.db2.gz XTWSWKPZLHQHDS-UPJWGTAASA-N 2 0 255.406 1.303 10 0 CDAERP C[C@@H]1CN(Cc2ccc3c(c2)C[NH2+]CC3)C[C@H]1[NH+](C)C ZINC000251813014 344059773 /nfs/dbraw/zinc/05/97/73/344059773.db2.gz OOTHDQHWDMENOY-CXAGYDPISA-N 2 0 273.424 1.714 10 0 CDAERP Cc1nc2ccc(CNC[C@@H]3C[NH2+]C[C@H]3O)cc2s1 ZINC000263265715 362410740 /nfs/dbraw/zinc/41/07/40/362410740.db2.gz ROKMEEZTVASYFG-DGCLKSJQSA-N 2 0 277.393 1.275 10 0 CDAERP C[NH+](C)Cc1ccc(C(=O)N2CCC([NH+](C)C)CC2)cc1 ZINC000101640750 362415961 /nfs/dbraw/zinc/41/59/61/362415961.db2.gz JTDOGQOQFMEOQF-UHFFFAOYSA-N 2 0 289.423 1.914 10 0 CDAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000623066951 344645965 /nfs/dbraw/zinc/64/59/65/344645965.db2.gz UNIMNBSXTHYYRY-SWLSCSKDSA-N 2 0 290.411 1.868 10 0 CDAERP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000262674847 344697038 /nfs/dbraw/zinc/69/70/38/344697038.db2.gz RGIAUASQKWUEPY-MJBXVCDLSA-N 2 0 267.417 1.304 10 0 CDAERP C[NH+](C)CC[C@H](NC(=O)N[C@H]1CCC[N@H+](C)C1)C(C)(C)C ZINC000604814839 344937076 /nfs/dbraw/zinc/93/70/76/344937076.db2.gz POMWZZOGFPTHDD-KBPBESRZSA-N 2 0 298.475 1.746 10 0 CDAERP CC1CC[NH+](CCCNC(=O)[C@@]2(C)CCC[NH2+]2)CC1 ZINC000079519850 362659436 /nfs/dbraw/zinc/65/94/36/362659436.db2.gz GDBRKDZYIJMZOA-OAHLLOKOSA-N 2 0 267.417 1.367 10 0 CDAERP CCN(C(=O)[C@@H]1C[C@H]1c1cncn1C)[C@@H]1CC[N@H+](C)C1 ZINC000617550602 345842055 /nfs/dbraw/zinc/84/20/55/345842055.db2.gz YVWYBUOFKKHAMN-JHJVBQTASA-N 2 0 276.384 1.076 10 0 CDAERP CC(C)[N@H+](C)CCN[C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261859025 535009668 /nfs/dbraw/zinc/00/96/68/535009668.db2.gz BXQYREPFPBASJZ-ZNMIVQPWSA-N 2 0 269.433 1.073 10 0 CDAERP C[C@@H](C[NH3+])N1CC[NH+](C2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000084948218 178933786 /nfs/dbraw/zinc/93/37/86/178933786.db2.gz HNZQWCBTXCWZSU-MCIONIFRSA-N 2 0 253.434 1.776 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCN2CCOCC2)CC1(C)C ZINC000623335876 346065032 /nfs/dbraw/zinc/06/50/32/346065032.db2.gz JTLKZGDWCOVPGP-AWEZNQCLSA-N 2 0 269.433 1.171 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCC(=O)Nc2ccccn2)CC1(C)C ZINC000623380172 346115840 /nfs/dbraw/zinc/11/58/40/346115840.db2.gz SLHBZDDJDLCJAO-ZDUSSCGKSA-N 2 0 290.411 1.873 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CCN2CCOC(C)(C)C2)CC1(C)C ZINC000623404187 346172052 /nfs/dbraw/zinc/17/20/52/346172052.db2.gz SOOSPYIPDYKGFU-CQSZACIVSA-N 2 0 283.460 1.560 10 0 CDAERP C[C@@](O)(C[NH3+])CCC[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000085299999 179010398 /nfs/dbraw/zinc/01/03/98/179010398.db2.gz OOGQADDKXXVTOY-HOTGVXAUSA-N 2 0 262.397 1.966 10 0 CDAERP C[NH+](C)CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000085367182 179037459 /nfs/dbraw/zinc/03/74/59/179037459.db2.gz NUGDKFUXMQSKHJ-HZPDHXFCSA-N 2 0 289.423 1.704 10 0 CDAERP [NH3+][C@@H]1COC[C@H]1C[NH2+]Cc1cc(Br)cs1 ZINC000085376323 179044460 /nfs/dbraw/zinc/04/44/60/179044460.db2.gz KEUXSHKEHKBUNZ-GMSGAONNSA-N 2 0 291.214 1.574 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)NCCNc1cc[nH+]cc1 ZINC000351966442 362725468 /nfs/dbraw/zinc/72/54/68/362725468.db2.gz ZFYVFGMZYJGTFZ-HNNXBMFYSA-N 2 0 290.411 1.296 10 0 CDAERP C[C@@H]1CC[NH2+][C@@H](C2CC2)C[N@@H+]1CCCn1ccnc1 ZINC000085626128 179107309 /nfs/dbraw/zinc/10/73/09/179107309.db2.gz CXVBZSQRRKZJEN-UKRRQHHQSA-N 2 0 262.401 1.736 10 0 CDAERP CCC1(CC)C[N@H+](CCOCCOC)CCC[NH2+]1 ZINC000085617533 179103653 /nfs/dbraw/zinc/10/36/53/179103653.db2.gz UMAGCKBNZJEJAY-UHFFFAOYSA-N 2 0 258.406 1.504 10 0 CDAERP CN1C[C@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CCC1=O ZINC000623426551 346559164 /nfs/dbraw/zinc/55/91/64/346559164.db2.gz QNEKMYGRYFIQDK-NWDGAFQWSA-N 2 0 253.390 1.070 10 0 CDAERP CO[C@@H]1CCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000230313829 346549690 /nfs/dbraw/zinc/54/96/90/346549690.db2.gz VUPWGDFJZLZDHL-MRXNPFEDSA-N 2 0 260.381 1.943 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)CN1CCOCC1 ZINC000623427162 346576617 /nfs/dbraw/zinc/57/66/17/346576617.db2.gz OLCFXLPBTDFICU-HUUCEWRRSA-N 2 0 283.460 1.417 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CCCOC[C@@H]2CCOC2)CC1(C)C ZINC000623428316 346580892 /nfs/dbraw/zinc/58/08/92/346580892.db2.gz GNVIBEZNVJQEQN-LSDHHAIUSA-N 2 0 284.444 1.892 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000140048846 346628136 /nfs/dbraw/zinc/62/81/36/346628136.db2.gz PQPIYAWOZPPLDU-ZIAGYGMSSA-N 2 0 294.443 1.397 10 0 CDAERP C(C1CC1)[NH+]1CCC([NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000540396931 282505953 /nfs/dbraw/zinc/50/59/53/282505953.db2.gz FZPFPMMJVUPVMZ-SJORKVTESA-N 2 0 294.439 1.789 10 0 CDAERP CCCC[N@H+](C)CC1CCN(C(=O)[C@]2([NH3+])CCOC2)CC1 ZINC000085879191 179195899 /nfs/dbraw/zinc/19/58/99/179195899.db2.gz PFXVNCGKDMHSPF-INIZCTEOSA-N 2 0 297.443 1.075 10 0 CDAERP CC(C)[C@@H]1C[NH2+][C@@H](C)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086152554 179240885 /nfs/dbraw/zinc/24/08/85/179240885.db2.gz DKGMRZSMHWBVPN-AEGPPILISA-N 2 0 251.418 1.399 10 0 CDAERP CC(C)[C@@H]1CN([C@@H]2C[NH+]3CCC2CC3)[C@@H](C)C[NH2+]1 ZINC000086152534 179240974 /nfs/dbraw/zinc/24/09/74/179240974.db2.gz LVYDDKDIWDWRGG-AEGPPILISA-N 2 0 251.418 1.399 10 0 CDAERP c1ccc(C[N@H+]2CCCC[C@@H]2CNC2=[NH+]CCCN2)cc1 ZINC000066243801 347479237 /nfs/dbraw/zinc/47/92/37/347479237.db2.gz AJVMBGJIKWKTIM-MRXNPFEDSA-N 2 0 286.423 1.980 10 0 CDAERP C[C@H]1C[NH2+][C@](C)(C2CC2)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223099 179251144 /nfs/dbraw/zinc/25/11/44/179251144.db2.gz MPUIKUPRGZPURD-GUTXKFCHSA-N 2 0 251.418 1.401 10 0 CDAERP CC[C@H]1C[NH2+][C@H](C2CC2)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223123 179252009 /nfs/dbraw/zinc/25/20/09/179252009.db2.gz SEXBZLYCUMSFPK-SNPRPXQTSA-N 2 0 251.418 1.401 10 0 CDAERP CC(C)(C)CC[NH+]1CCN(C(=O)NC/C=C/C[NH3+])CC1 ZINC000641864293 365951525 /nfs/dbraw/zinc/95/15/25/365951525.db2.gz BLWJYZBZHLLMAP-SNAWJCMRSA-N 2 0 282.432 1.265 10 0 CDAERP C[C@@H]1C[C@@H](C[N@@H+]2CCCC[C@H]2CC(N)=O)CC[NH2+]1 ZINC000414693463 297251684 /nfs/dbraw/zinc/25/16/84/297251684.db2.gz RPFCDUDNOLHXIL-AGIUHOORSA-N 2 0 253.390 1.104 10 0 CDAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCOC2)[C@@H](C)C1 ZINC000643911079 362938584 /nfs/dbraw/zinc/93/85/84/362938584.db2.gz SIHYWNNSEHAYRH-RRFJBIMHSA-N 2 0 270.417 1.502 10 0 CDAERP C[C@@H]([NH3+])C1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000104445950 186005336 /nfs/dbraw/zinc/00/53/36/186005336.db2.gz ICVBUFMMTWYQJF-VXGBXAGGSA-N 2 0 253.390 1.057 10 0 CDAERP COc1ccc([C@@H](C)[NH2+]CCOCCC[NH3+])cc1OC ZINC000629536175 362951025 /nfs/dbraw/zinc/95/10/25/362951025.db2.gz FBCIYBGUMIGJJF-GFCCVEGCSA-N 2 0 282.384 1.720 10 0 CDAERP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H]1CCC[N@@H+]1C ZINC000629549303 362971802 /nfs/dbraw/zinc/97/18/02/362971802.db2.gz GXQLQVMTTDNDLX-VNQPRFMTSA-N 2 0 261.413 1.629 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)CC[C@@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000621651301 350690496 /nfs/dbraw/zinc/69/04/96/350690496.db2.gz JWGOUIREOGJKTR-PMPSAXMXSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[NH2+]C2)C[C@@]1(C)C[NH3+] ZINC000621664996 350701669 /nfs/dbraw/zinc/70/16/69/350701669.db2.gz NEVJVDAHUUNXLR-VNHYZAJKSA-N 2 0 267.417 1.210 10 0 CDAERP C[C@@H](NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)[C@H](C)[NH3+] ZINC000641943244 365997101 /nfs/dbraw/zinc/99/71/01/365997101.db2.gz MBQBWTCXOQAXBA-MJBXVCDLSA-N 2 0 282.432 1.382 10 0 CDAERP CCn1nccc1CC[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000621776856 350772969 /nfs/dbraw/zinc/77/29/69/350772969.db2.gz YJFZIZNIFYAWTD-ZDUSSCGKSA-N 2 0 250.390 1.423 10 0 CDAERP Cc1nc(C)c(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)o1 ZINC000628240462 362995924 /nfs/dbraw/zinc/99/59/24/362995924.db2.gz GHMCOXQSMDQRRE-LBPRGKRZSA-N 2 0 280.416 1.407 10 0 CDAERP O=C(NCC1CC[NH+](C2CC2)CC1)N[C@H]1CCCC[NH2+]C1 ZINC000333544460 363022703 /nfs/dbraw/zinc/02/27/03/363022703.db2.gz JRCCUYQNXGCLHB-AWEZNQCLSA-N 2 0 294.443 1.302 10 0 CDAERP COC[C@@H](CC1CCOCC1)[NH2+]C[C@@H]1CCCN1C ZINC000624272055 351528443 /nfs/dbraw/zinc/52/84/43/351528443.db2.gz UZTJNAQWJAKMDW-CABCVRRESA-N 2 0 270.417 1.502 10 0 CDAERP COC[C@@]1(C)C[N@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000629594348 363114693 /nfs/dbraw/zinc/11/46/93/363114693.db2.gz AKVBFVQWLHSHCC-ZIAGYGMSSA-N 2 0 256.390 1.113 10 0 CDAERP C[C@@H](CNC(=O)N[C@@H]1CCCC[NH2+]C1)[NH+]1CCC(C)CC1 ZINC000333717990 363116357 /nfs/dbraw/zinc/11/63/57/363116357.db2.gz GFXSDXDEYBJSJU-LSDHHAIUSA-N 2 0 296.459 1.548 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NCCC[NH+]1CCCCC1 ZINC000193202953 363134300 /nfs/dbraw/zinc/13/43/00/363134300.db2.gz RHPSTFRGEVLIKH-OAHLLOKOSA-N 2 0 298.475 1.892 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C[C@@H]2[NH2+]Cc3ccccc32)C1 ZINC000659329575 412576841 /nfs/dbraw/zinc/57/68/41/412576841.db2.gz JXZPBRVGXSGCMW-BJJXKVORSA-N 2 0 287.407 1.677 10 0 CDAERP O=C(NC1CC[NH+](C2CC2)CC1)N[C@H]1CCCC[NH2+]C1 ZINC000333904549 363214901 /nfs/dbraw/zinc/21/49/01/363214901.db2.gz JLXRTQKAGQYAJN-ZDUSSCGKSA-N 2 0 280.416 1.055 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1ccc(OC)c(OC)c1 ZINC000629652256 363250602 /nfs/dbraw/zinc/25/06/02/363250602.db2.gz DZTHZZKGGRDXQA-UHFFFAOYSA-N 2 0 282.384 1.372 10 0 CDAERP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)C1 ZINC000629653401 363252507 /nfs/dbraw/zinc/25/25/07/363252507.db2.gz GMPXSDYSWUMOQQ-MCIONIFRSA-N 2 0 297.468 1.154 10 0 CDAERP COC[C@]1(C)C[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)CCO1 ZINC000629674145 363320936 /nfs/dbraw/zinc/32/09/36/363320936.db2.gz WTVMLSJCZPOSKK-IHRRRGAJSA-N 2 0 256.390 1.112 10 0 CDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCc2cccnc2)CC1 ZINC000172162498 188784935 /nfs/dbraw/zinc/78/49/35/188784935.db2.gz CKDOFYLYBISXCP-OAHLLOKOSA-N 2 0 291.439 1.649 10 0 CDAERP CN(Cc1ccccc1)C[C@@H](O)C[NH2+]CC1=CCOCC1 ZINC000644657627 366320453 /nfs/dbraw/zinc/32/04/53/366320453.db2.gz CUTCYDCIFOYKSY-KRWDZBQOSA-N 2 0 290.407 1.416 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634768252 358512081 /nfs/dbraw/zinc/51/20/81/358512081.db2.gz CJSRYNIIICMDOB-CTASWTNQSA-N 2 0 277.412 1.071 10 0 CDAERP Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000070074243 356836847 /nfs/dbraw/zinc/83/68/47/356836847.db2.gz KZAZKBNZHWHPMS-CQSZACIVSA-N 2 0 275.396 1.994 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000631138035 356896827 /nfs/dbraw/zinc/89/68/27/356896827.db2.gz ADNGPIRCCXDOKL-OWCLPIDISA-N 2 0 293.455 1.804 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000070574500 356898809 /nfs/dbraw/zinc/89/88/09/356898809.db2.gz GNYQGDDWDJRRKX-UONOGXRCSA-N 2 0 281.444 1.885 10 0 CDAERP CN1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CCC1=O ZINC000250653455 283246002 /nfs/dbraw/zinc/24/60/02/283246002.db2.gz XGJOAMMEUBBIRT-ZOBORPQBSA-N 2 0 265.401 1.118 10 0 CDAERP CC(C)[NH+]1CCC([NH2+]C[C@H](O)C[C@](C)(O)C2CC2)CC1 ZINC000634698321 357303422 /nfs/dbraw/zinc/30/34/22/357303422.db2.gz IRJKNNWZPJHDMP-CVEARBPZSA-N 2 0 284.444 1.361 10 0 CDAERP CC[NH+]1CCC(CC[NH2+]C[C@H](O)C[C@@](C)(O)C2CC2)CC1 ZINC000634706152 357378737 /nfs/dbraw/zinc/37/87/37/357378737.db2.gz LPQNUIPMQNCPAD-IAGOWNOFSA-N 2 0 298.471 1.610 10 0 CDAERP CC(C)C[N@H+](CC(N)=O)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000582068149 357485368 /nfs/dbraw/zinc/48/53/68/357485368.db2.gz YUPDMLZLPAWXKX-UHFFFAOYSA-N 2 0 275.396 1.276 10 0 CDAERP Cc1nn(C)cc1[C@H](C)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000311218324 357519770 /nfs/dbraw/zinc/51/97/70/357519770.db2.gz SUSDQCBNQBZLCA-SCDSUCTJSA-N 2 0 250.390 1.706 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000335250272 283332836 /nfs/dbraw/zinc/33/28/36/283332836.db2.gz UXEDDBZANDOIJJ-CQSZACIVSA-N 2 0 279.428 1.463 10 0 CDAERP CC[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001660614364 1172243146 /nfs/dbraw/zinc/24/31/46/1172243146.db2.gz SUFSGUMRHSJZLR-UHFFFAOYSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H]3CN(C)C[C@@H]32)CC1 ZINC000644730064 366443214 /nfs/dbraw/zinc/44/32/14/366443214.db2.gz UCBUPZNYMRUINB-SJORKVTESA-N 2 0 294.487 1.038 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC[NH2+]1 ZINC000634762323 358433617 /nfs/dbraw/zinc/43/36/17/358433617.db2.gz UMKWTMAILVVNLV-AVGNSLFASA-N 2 0 267.417 1.269 10 0 CDAERP O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000636142295 363613104 /nfs/dbraw/zinc/61/31/04/363613104.db2.gz HVQFIYAHRSNGNP-GUIRCDHDSA-N 2 0 288.395 1.646 10 0 CDAERP c1nc(NCC2CC2)cc(N2CCC[C@@H]3C[NH2+]CC[C@@H]32)n1 ZINC000634812871 358777722 /nfs/dbraw/zinc/77/77/22/358777722.db2.gz SVIGDNSNSFZRJI-KGLIPLIRSA-N 2 0 287.411 1.877 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000070552080 358968066 /nfs/dbraw/zinc/96/80/66/358968066.db2.gz PSXKDRBHRVVIFZ-UHFFFAOYSA-N 2 0 287.407 1.544 10 0 CDAERP CCC[C@@](C)([NH3+])C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000262506642 359175378 /nfs/dbraw/zinc/17/53/78/359175378.db2.gz AFIYSPSYBLDQEI-GOEBONIOSA-N 2 0 281.444 1.694 10 0 CDAERP O=C(C1CC[NH2+]CC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000037826149 359233826 /nfs/dbraw/zinc/23/38/26/359233826.db2.gz RLTVISDKLLQKHS-UHFFFAOYSA-N 2 0 279.428 1.320 10 0 CDAERP CC(C)([NH3+])c1nocc1C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000572422707 359375561 /nfs/dbraw/zinc/37/55/61/359375561.db2.gz GEKFBBWCNLBTNS-OAHLLOKOSA-N 2 0 292.383 1.084 10 0 CDAERP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])(N2CCCCC2)CC1 ZINC000422796392 359657387 /nfs/dbraw/zinc/65/73/87/359657387.db2.gz YJWDYIFXTCGOEH-JKSUJKDBSA-N 3 0 294.487 1.406 10 0 CDAERP CC(C)c1noc(CCC[NH2+][C@@H]2CNCC[C@@H]2C)n1 ZINC000422936937 359685517 /nfs/dbraw/zinc/68/55/17/359685517.db2.gz NGXIRQFPGNMYJS-NWDGAFQWSA-N 2 0 266.389 1.713 10 0 CDAERP CC[C@H](CN[C@@H](C1CC1)[C@H]1C[NH2+]CCO1)[NH+]1CCCC1 ZINC000422968339 359726991 /nfs/dbraw/zinc/72/69/91/359726991.db2.gz WJIZUZODSQWAGU-OAGGEKHMSA-N 2 0 281.444 1.217 10 0 CDAERP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NCCC[NH3+])C1 ZINC000637363401 359789402 /nfs/dbraw/zinc/78/94/02/359789402.db2.gz WMWQYGRPESHTOL-OAHLLOKOSA-N 2 0 290.411 1.251 10 0 CDAERP O=C(NC[C@H]1CCC[NH2+]1)NC1CC([NH+]2CCCCC2)C1 ZINC000571657919 366557688 /nfs/dbraw/zinc/55/76/88/366557688.db2.gz QPXKNBLQWJUUBE-IYXRBSQSSA-N 2 0 280.416 1.055 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423525344 359843056 /nfs/dbraw/zinc/84/30/56/359843056.db2.gz KKEQJGAWLURRIE-OBYDGYHJSA-N 3 0 295.471 1.484 10 0 CDAERP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423514924 359835845 /nfs/dbraw/zinc/83/58/45/359835845.db2.gz UOLJYUJHBQDJGI-ZGRYLRDCSA-N 3 0 294.487 1.181 10 0 CDAERP CC(C)[NH+]1CCN(CCC[NH2+][C@@H]2[C@@H](C)O[C@@H](C)[C@H]2C)CC1 ZINC000528761581 359932510 /nfs/dbraw/zinc/93/25/10/359932510.db2.gz ZDTXSJUVBAZOSI-TWMKSMIVSA-N 2 0 297.487 1.804 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000335344429 359985293 /nfs/dbraw/zinc/98/52/93/359985293.db2.gz IYWAKKLQPAPACN-JSGCOSHPSA-N 2 0 267.417 1.221 10 0 CDAERP [NH3+]C1(CN[C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CCCCCC1 ZINC000643498746 360361103 /nfs/dbraw/zinc/36/11/03/360361103.db2.gz PYQBTACRAWMQLE-GJZGRUSLSA-N 2 0 281.444 1.395 10 0 CDAERP [NH3+][C@@H](CC1CCCCC1)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000335499658 283547858 /nfs/dbraw/zinc/54/78/58/283547858.db2.gz JABSFTHGXRHLGX-DOTOQJQBSA-N 2 0 293.455 1.886 10 0 CDAERP CCC[C@](C)([NH3+])C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000515861916 360538716 /nfs/dbraw/zinc/53/87/16/360538716.db2.gz SVCRXYFCBTYDDT-QRMWWUJWSA-N 2 0 253.390 1.234 10 0 CDAERP C[C@H](CNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)C[NH+]1CCCC1 ZINC000626942578 360667280 /nfs/dbraw/zinc/66/72/80/360667280.db2.gz MWOCBWIFKUTVAB-MGPQQGTHSA-N 2 0 282.432 1.158 10 0 CDAERP CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000335709539 360823087 /nfs/dbraw/zinc/82/30/87/360823087.db2.gz VRASRQQMSHDVMJ-CQSZACIVSA-N 2 0 265.401 1.023 10 0 CDAERP COC1(C[C@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)CCC1 ZINC000429541458 360850880 /nfs/dbraw/zinc/85/08/80/360850880.db2.gz VRKFGJJBHLHXBR-LSDHHAIUSA-N 2 0 283.460 1.560 10 0 CDAERP CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000643523873 361055346 /nfs/dbraw/zinc/05/53/46/361055346.db2.gz HCTPTLBTJWTUDC-AWEZNQCLSA-N 2 0 273.380 1.437 10 0 CDAERP C[N@@H+]1CC[C@H](CNC(=O)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000431749151 361042414 /nfs/dbraw/zinc/04/24/14/361042414.db2.gz JZDHIUJDHAXAOY-KGLIPLIRSA-N 2 0 267.417 1.319 10 0 CDAERP CC[N@H+](CCNC(=O)CC[C@H]1CCCC[NH+]1C)C1CC1 ZINC000431799183 361049794 /nfs/dbraw/zinc/04/97/94/361049794.db2.gz HORRUPLGARAWNQ-CQSZACIVSA-N 2 0 281.444 1.851 10 0 CDAERP C[NH+](C)C1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000431929235 361070269 /nfs/dbraw/zinc/07/02/69/361070269.db2.gz ZCNNKZLLNHDBPU-HNNXBMFYSA-N 2 0 281.444 1.804 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC1CC[NH+](CCC(F)(F)F)CC1 ZINC000414936566 370681709 /nfs/dbraw/zinc/68/17/09/370681709.db2.gz VAYREEZQXCCGHN-DGCLKSJQSA-N 2 0 293.377 1.991 10 0 CDAERP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@H]2CCC[NH+](C)C2)C[C@H]1C ZINC000677962096 482867039 /nfs/dbraw/zinc/86/70/39/482867039.db2.gz JACMDUNYFXTTTI-RDBSUJKOSA-N 2 0 282.432 1.205 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)[C@H]2[NH2+]CC2(C)C)CC1 ZINC000644155820 364045385 /nfs/dbraw/zinc/04/53/85/364045385.db2.gz RIQXVOQSWYLBDZ-WXRRBKDZSA-N 2 0 267.417 1.221 10 0 CDAERP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)C[C@@H]1CC ZINC000168077295 364118029 /nfs/dbraw/zinc/11/80/29/364118029.db2.gz RNVBZKAPJDDOPF-ILXRZTDVSA-N 2 0 297.443 1.073 10 0 CDAERP C[N@H+](CC(=O)Nc1cnn(-c2cc[nH+]cc2)c1)C1CCC1 ZINC000629957659 364263778 /nfs/dbraw/zinc/26/37/78/364263778.db2.gz VNWMSSUKKBPCMO-UHFFFAOYSA-N 2 0 285.351 1.690 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)CCN2CCCC2=O)[C@H](C)C1 ZINC000174776266 364271824 /nfs/dbraw/zinc/27/18/24/364271824.db2.gz QRNCITOFFPRIMJ-ZIAGYGMSSA-N 2 0 267.417 1.271 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C(C)C)[C@@H](C)C1 ZINC000357240947 366855519 /nfs/dbraw/zinc/85/55/19/366855519.db2.gz SNDFNTSYGPUIDL-KBPBESRZSA-N 2 0 269.433 1.515 10 0 CDAERP COC[C@H](C)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000187382951 364750468 /nfs/dbraw/zinc/75/04/68/364750468.db2.gz WPWYWJNVACPSEG-OAHLLOKOSA-N 2 0 284.444 1.846 10 0 CDAERP COCC[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000353438844 365207930 /nfs/dbraw/zinc/20/79/30/365207930.db2.gz CJMGDGLTIVFCSV-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CC[N@@H+]1CC[C@H](CN[C@@H]2CC[NH+](C)[C@H]3CCC[C@H]32)C1 ZINC000353441067 365208923 /nfs/dbraw/zinc/20/89/23/365208923.db2.gz LPFZJLYBMADNQA-QXSJWSMHSA-N 2 0 265.445 1.791 10 0 CDAERP CCN(C)c1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cn1 ZINC000414941576 370815127 /nfs/dbraw/zinc/81/51/27/370815127.db2.gz LRUGPHSVZZRMSN-GXTWGEPZSA-N 2 0 262.401 1.625 10 0 CDAERP Cc1ccncc1C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000353651863 365359332 /nfs/dbraw/zinc/35/93/32/365359332.db2.gz DKANMDWWAKNWRX-UHFFFAOYSA-N 2 0 277.412 1.933 10 0 CDAERP CCN1CC[C@@H]([NH2+]Cc2c(C)nn(CC)c2C)C1 ZINC000307980240 366872860 /nfs/dbraw/zinc/87/28/60/366872860.db2.gz IYMLMYCEQXABIY-CYBMUJFWSA-N 2 0 250.390 1.704 10 0 CDAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)[C@@H]1C[C@H]1C ZINC000414132228 241081627 /nfs/dbraw/zinc/08/16/27/241081627.db2.gz MHPABXUARBXNEV-KBUPBQIOSA-N 2 0 253.434 1.647 10 0 CDAERP CC(C)C[C@@H]([NH3+])CN(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000414699715 241335576 /nfs/dbraw/zinc/33/55/76/241335576.db2.gz FGPMSVGVDQGCNO-OAHLLOKOSA-N 2 0 285.476 1.650 10 0 CDAERP Cc1cc(C)n2c(C[NH2+][C@@H]3CCCC[C@@H]3C[NH3+])cnc2n1 ZINC000414799150 241393580 /nfs/dbraw/zinc/39/35/80/241393580.db2.gz JTABUMMXLIAOKG-UKRRQHHQSA-N 2 0 287.411 1.953 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)NCC[N@H+](C)C2CCCC2)C[NH2+]1 ZINC000626970056 367104153 /nfs/dbraw/zinc/10/41/53/367104153.db2.gz FHASDQRGTYZUCG-CHWSQXEVSA-N 2 0 282.432 1.301 10 0 CDAERP C[C@H](NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)C(C)(C)C[NH+](C)C ZINC000626996854 367217891 /nfs/dbraw/zinc/21/78/91/367217891.db2.gz HAFASMNBBMRZPR-AGIUHOORSA-N 2 0 284.448 1.402 10 0 CDAERP CCC(C)(C)NC(=O)CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000572523665 367307967 /nfs/dbraw/zinc/30/79/67/367307967.db2.gz JTLHHBGQZMEJGL-OAHLLOKOSA-N 2 0 267.417 1.367 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H](C)c1nccn1CC ZINC000627052587 367310407 /nfs/dbraw/zinc/31/04/07/367310407.db2.gz REVODPBPVWCFDY-SDDRHHMPSA-N 2 0 279.388 1.404 10 0 CDAERP C[C@@H](C(=O)N1CC[N@@H+]2CCC[C@H]2C1)[NH+]1CCCCCC1 ZINC000252465354 367473958 /nfs/dbraw/zinc/47/39/58/367473958.db2.gz PZNRNTZGMGNUPZ-GJZGRUSLSA-N 2 0 279.428 1.558 10 0 CDAERP CC1=CC[N@H+](CCN[C@@H]2CC[NH+]3CCC[C@H]3C2)CC1 ZINC000358253988 367547417 /nfs/dbraw/zinc/54/74/17/367547417.db2.gz PIGVXAIJXBWSDI-CVEARBPZSA-N 2 0 263.429 1.855 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000627167816 367603135 /nfs/dbraw/zinc/60/31/35/367603135.db2.gz NJYRLJKGDQCMOR-UONOGXRCSA-N 2 0 282.432 1.253 10 0 CDAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000416820203 242167451 /nfs/dbraw/zinc/16/74/51/242167451.db2.gz BVKTZAKHYYBERO-KBPBESRZSA-N 2 0 296.459 1.548 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000627168684 367604104 /nfs/dbraw/zinc/60/41/04/367604104.db2.gz CGGBSIIAEROPJX-LSDHHAIUSA-N 2 0 296.459 1.500 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000417393073 242451900 /nfs/dbraw/zinc/45/19/00/242451900.db2.gz PXPORAUMNWBKDS-AWEZNQCLSA-N 2 0 282.432 1.145 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)C[NH2+]1 ZINC000627199854 367688898 /nfs/dbraw/zinc/68/88/98/367688898.db2.gz DZWRHVPRRPZSCJ-KFWWJZLASA-N 2 0 296.459 1.643 10 0 CDAERP C[C@@H]1[C@@H]([NH2+]CCN2CC[NH2+]CC2)C[C@@H]1c1ccccc1 ZINC000414859181 367745914 /nfs/dbraw/zinc/74/59/14/367745914.db2.gz AOXYTPUKNQZXOR-XIRDDKMYSA-N 2 0 273.424 1.673 10 0 CDAERP C[C@H](C[C@H]1CCC[NH2+]1)NCCC[NH2+]Cc1cccnc1 ZINC000414861021 367788449 /nfs/dbraw/zinc/78/84/49/367788449.db2.gz RGSHMGPYCCQLPP-GDBMZVCRSA-N 3 0 276.428 1.682 10 0 CDAERP C[C@H](C[C@@H]1CCC[NH2+]1)NCCC[NH2+]Cc1cccnc1 ZINC000414861030 367789638 /nfs/dbraw/zinc/78/96/38/367789638.db2.gz RGSHMGPYCCQLPP-ZBFHGGJFSA-N 2 0 276.428 1.682 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000627238185 367801030 /nfs/dbraw/zinc/80/10/30/367801030.db2.gz BHPFLJFPHWMXHC-MELADBBJSA-N 2 0 280.416 1.007 10 0 CDAERP CC1CC[NH+](CCCNC(=O)C2=CC[C@H]([NH3+])C2)CC1 ZINC000638053080 367852524 /nfs/dbraw/zinc/85/25/24/367852524.db2.gz GEOCJUUDNNJLQL-AWEZNQCLSA-N 2 0 265.401 1.272 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1CC=C(C)CC1 ZINC000358624307 367824589 /nfs/dbraw/zinc/82/45/89/367824589.db2.gz BCUCYVZSCDIVKG-HNNXBMFYSA-N 2 0 294.443 1.422 10 0 CDAERP CC[NH2+][C@H](C)C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000638054299 367838999 /nfs/dbraw/zinc/83/89/99/367838999.db2.gz NNUXSCFIJFYBTQ-OCCSQVGLSA-N 2 0 263.385 1.404 10 0 CDAERP C[NH+](C)Cc1ccccc1CNC(=O)CCC1C[NH2+]C1 ZINC000638054355 367839231 /nfs/dbraw/zinc/83/92/31/367839231.db2.gz PBNDSQUTBODFFM-UHFFFAOYSA-N 2 0 275.396 1.364 10 0 CDAERP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000261769515 299388235 /nfs/dbraw/zinc/38/82/35/299388235.db2.gz OLJWPNYHIFVRTF-JFGNBEQYSA-N 2 0 274.368 1.505 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)C1 ZINC000418599897 243259474 /nfs/dbraw/zinc/25/94/74/243259474.db2.gz RTUYKXJHWFSRFK-MCIONIFRSA-N 2 0 282.432 1.110 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@](C)(O)C1CC1 ZINC000544191728 369021612 /nfs/dbraw/zinc/02/16/12/369021612.db2.gz RDDNDEAFVUQTJN-MRXNPFEDSA-N 2 0 286.379 1.826 10 0 CDAERP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)CC1CC[NH+](C)CC1 ZINC000362837390 369118932 /nfs/dbraw/zinc/11/89/32/369118932.db2.gz MGVUBQSDYBRJJR-OAHLLOKOSA-N 2 0 281.444 1.519 10 0 CDAERP CCN(CCC[NH+](CC)CC)C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638286164 369154846 /nfs/dbraw/zinc/15/48/46/369154846.db2.gz LMTXQHZHWDUEEV-CQSZACIVSA-N 2 0 267.417 1.614 10 0 CDAERP O=C([C@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)C1)N1CCCC1 ZINC000420303462 244051101 /nfs/dbraw/zinc/05/11/01/244051101.db2.gz NLSGOAGOJKQRHT-CABCVRRESA-N 2 0 279.428 1.320 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2(CCO)CC2)[C@@H]2CCC[C@@H]21 ZINC000367614473 369198783 /nfs/dbraw/zinc/19/87/83/369198783.db2.gz IGCSAQWFOJHNKK-IHRRRGAJSA-N 2 0 252.402 1.611 10 0 CDAERP [NH3+]CCC[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000420358489 244139201 /nfs/dbraw/zinc/13/92/01/244139201.db2.gz JDNLCWYFIGXFKU-UHFFFAOYSA-N 2 0 250.390 1.724 10 0 CDAERP CCCCNC(=O)CC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420384595 244182820 /nfs/dbraw/zinc/18/28/20/244182820.db2.gz UGZVATYZAYWEIJ-HNNXBMFYSA-N 2 0 267.417 1.368 10 0 CDAERP CC[NH2+][C@H](C)C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000638302580 369305985 /nfs/dbraw/zinc/30/59/85/369305985.db2.gz RVVMBESSEHGJPG-ZIAGYGMSSA-N 2 0 277.412 1.621 10 0 CDAERP C[N@@H+]1CC[C@@H](CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000368054873 369338039 /nfs/dbraw/zinc/33/80/39/369338039.db2.gz MZNGTWJGEDTJSI-WFASDCNBSA-N 2 0 285.407 1.267 10 0 CDAERP [NH3+]C1CCC(C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000037629930 369469981 /nfs/dbraw/zinc/46/99/81/369469981.db2.gz NKQYEWMFKNNJHG-UHFFFAOYSA-N 2 0 265.401 1.247 10 0 CDAERP c1cnn(C2CC([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)c1 ZINC000638376435 369567904 /nfs/dbraw/zinc/56/79/04/369567904.db2.gz KOPKKVMSBJDTAD-FGZQJIAISA-N 2 0 260.385 1.803 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000248888636 370110356 /nfs/dbraw/zinc/11/03/56/370110356.db2.gz VOMTYVYVYXRXBC-DZKIICNBSA-N 2 0 289.423 1.893 10 0 CDAERP COC[C@@H]([NH2+]CCN1CCCC[C@H]1C)C1CCOCC1 ZINC000249215811 370130186 /nfs/dbraw/zinc/13/01/86/370130186.db2.gz ZYNGOKQZRQLODZ-GDBMZVCRSA-N 2 0 284.444 1.892 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000422711407 245168937 /nfs/dbraw/zinc/16/89/37/245168937.db2.gz GXVCRQDDKDZMMQ-OFQRWUPVSA-N 2 0 263.429 1.875 10 0 CDAERP CC(C)(C)[NH2+]CCNC(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000566184547 370638565 /nfs/dbraw/zinc/63/85/65/370638565.db2.gz LRRCBXUUCIOXOC-CYBMUJFWSA-N 2 0 281.375 1.372 10 0 CDAERP COC(=O)[C@@H](CC(C)C)[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000567515977 371017505 /nfs/dbraw/zinc/01/75/05/371017505.db2.gz PIXRUVPNQHTJLW-QWHCGFSZSA-N 2 0 279.384 1.797 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCNC(=O)c1cccc(C)c1 ZINC000422730273 245188390 /nfs/dbraw/zinc/18/83/90/245188390.db2.gz JMAJSDKSCZXQLX-HNNXBMFYSA-N 2 0 293.411 1.068 10 0 CDAERP C[C@H]1C[NH2+]CC[C@H]1NCc1cnn(C(C)(C)C)c1 ZINC000414959130 371072836 /nfs/dbraw/zinc/07/28/36/371072836.db2.gz PRFSWFLWKVRMRG-WCQYABFASA-N 2 0 250.390 1.726 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000422792689 245262714 /nfs/dbraw/zinc/26/27/14/245262714.db2.gz RKSRMAQPTFFXPC-JKSUJKDBSA-N 3 0 296.503 1.652 10 0 CDAERP CCn1ccnc1CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000295697836 371409726 /nfs/dbraw/zinc/40/97/26/371409726.db2.gz NWBDBGRAJISPMI-OAHLLOKOSA-N 2 0 296.390 1.732 10 0 CDAERP C[C@@H]1CN(C2CC[NH+](CC3CC3)CC2)C[C@@]1(C)C[NH3+] ZINC000573665674 371615139 /nfs/dbraw/zinc/61/51/39/371615139.db2.gz VOROCZIYFHQSRL-CZUORRHYSA-N 2 0 265.445 1.778 10 0 CDAERP Cc1cnn(CC[NH2+][C@H](C)C2CC[NH+](C)CC2)c1 ZINC000123922036 541864823 /nfs/dbraw/zinc/86/48/23/541864823.db2.gz XIZVERDIJWCCAZ-CYBMUJFWSA-N 2 0 250.390 1.511 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(c2ncccc2F)C1 ZINC000643461819 373117686 /nfs/dbraw/zinc/11/76/86/373117686.db2.gz HJGMAPYHONBSFX-OLZOCXBDSA-N 2 0 296.390 1.143 10 0 CDAERP COCC[N@@H+]1CCC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000192813715 373642896 /nfs/dbraw/zinc/64/28/96/373642896.db2.gz JCIBCUGQRXDNDC-UYTSQGDYSA-N 2 0 281.444 1.312 10 0 CDAERP COc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000037018559 373983798 /nfs/dbraw/zinc/98/37/98/373983798.db2.gz IUQUWXVGARZNTE-CYBMUJFWSA-N 2 0 291.395 1.695 10 0 CDAERP OCC[NH2+]C1CC[NH+](C[C@@H]2CCC(F)(F)C2)CC1 ZINC000631862077 374063082 /nfs/dbraw/zinc/06/30/82/374063082.db2.gz LDOKAVQSRGODIF-LLVKDONJSA-N 2 0 262.344 1.468 10 0 CDAERP [NH3+]CC1(CCNC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000652232021 541924087 /nfs/dbraw/zinc/92/40/87/541924087.db2.gz ODVZRUTVMSJNIY-UONOGXRCSA-N 2 0 294.443 1.147 10 0 CDAERP CC(C)[N@H+](C)C[C@@H](O)CN1CC[C@@H](C(F)F)C1 ZINC000660148231 412822538 /nfs/dbraw/zinc/82/25/38/412822538.db2.gz TXLZEWPZMHNSEM-GHMZBOCLSA-N 2 0 250.333 1.275 10 0 CDAERP CC(C)[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CCF)[NH+](C)C ZINC001661926350 1172468250 /nfs/dbraw/zinc/46/82/50/1172468250.db2.gz XLFCTOBYAIDMIT-KBPBESRZSA-N 2 0 287.423 1.513 10 0 CDAERP CCC[C@](C)([NH3+])C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000334334289 374934458 /nfs/dbraw/zinc/93/44/58/374934458.db2.gz XBGAHTRXHIEAOK-ZDUSSCGKSA-N 2 0 253.390 1.106 10 0 CDAERP Cc1nccn1CCCC[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000125427747 374934535 /nfs/dbraw/zinc/93/45/35/374934535.db2.gz WRFSLOSLDPHEHQ-UHFFFAOYSA-N 2 0 292.427 1.772 10 0 CDAERP Cc1nccn1CCCC[NH+]1CCN(C2CC2)CC1 ZINC000125486789 374939588 /nfs/dbraw/zinc/93/95/88/374939588.db2.gz MLTWEOJIVPOUGU-UHFFFAOYSA-N 2 0 262.401 1.752 10 0 CDAERP C[C@@H]1CC[N@H+](CC2(O)CCOCC2)C[C@@H]1n1ccnc1 ZINC000129486982 375200889 /nfs/dbraw/zinc/20/08/89/375200889.db2.gz NNJOCFHEECNCFC-KGLIPLIRSA-N 2 0 279.384 1.308 10 0 CDAERP C[N@H+]1CC=C(C[NH2+]Cc2cc(-c3cccnc3)n[nH]2)CC1 ZINC000359908362 375480024 /nfs/dbraw/zinc/48/00/24/375480024.db2.gz XVTBCPYICGYUIS-UHFFFAOYSA-N 2 0 283.379 1.823 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000428461395 247305423 /nfs/dbraw/zinc/30/54/23/247305423.db2.gz LPPLKTGFUNBQRV-LRDDRELGSA-N 2 0 286.379 1.778 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[NH+]3CCC2CC3)CC[N@@H+]1C ZINC000631232363 376025828 /nfs/dbraw/zinc/02/58/28/376025828.db2.gz ARMPGCYZCWNVGY-ZNMIVQPWSA-N 2 0 279.428 1.269 10 0 CDAERP C(C[NH+]1CCCC1)C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000245621233 376118525 /nfs/dbraw/zinc/11/85/25/376118525.db2.gz NWDRRGQBMWAEGF-LSDHHAIUSA-N 2 0 252.402 1.973 10 0 CDAERP Cn1nccc1[C@H]1CCCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420362158 376335110 /nfs/dbraw/zinc/33/51/10/376335110.db2.gz ANQHLOXFMVLULT-UKRRQHHQSA-N 2 0 262.401 1.947 10 0 CDAERP CCC[NH+]1CCC(NC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000334604133 376480311 /nfs/dbraw/zinc/48/03/11/376480311.db2.gz TWXIMGVTINVSBQ-HIFRSBDPSA-N 2 0 294.443 1.254 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@](C)(O)C2)[C@H](C)C1 ZINC000417415972 377033532 /nfs/dbraw/zinc/03/35/32/377033532.db2.gz ZYBOKUVRDKVYSL-WCVJEAGWSA-N 2 0 284.444 1.626 10 0 CDAERP C[C@@H](CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)[NH+](C)C1CC1 ZINC000247313938 377089912 /nfs/dbraw/zinc/08/99/12/377089912.db2.gz OFZJFIUFRBMPNN-GZBFAFLISA-N 2 0 294.443 1.347 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[NH+]3CCC[C@H]3C2)C1 ZINC000247597944 377156750 /nfs/dbraw/zinc/15/67/50/377156750.db2.gz SXEZTTNWZJRLAV-CABCVRRESA-N 2 0 294.443 1.208 10 0 CDAERP C[C@H](C[NH3+])CNC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000417537498 377903597 /nfs/dbraw/zinc/90/35/97/377903597.db2.gz SKCGXFIRZLCYJV-JHJVBQTASA-N 2 0 270.421 1.143 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H](C)[NH+](CC)CC ZINC000245398160 378086524 /nfs/dbraw/zinc/08/65/24/378086524.db2.gz RRYKPZQDDCQWHC-KBPBESRZSA-N 2 0 286.464 1.746 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](C)C[C@@H]2CC)CC[N@@H+]1C ZINC000633216098 378217319 /nfs/dbraw/zinc/21/73/19/378217319.db2.gz HDMIXKQFDDINSE-MELADBBJSA-N 2 0 267.417 1.269 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[NH+](C)[C@@H](C)C2)CC[N@@H+]1C ZINC000633228774 378231560 /nfs/dbraw/zinc/23/15/60/378231560.db2.gz QPAHHLIJYFVRCD-RFQIPJPRSA-N 2 0 267.417 1.268 10 0 CDAERP C[NH+](C)CCC[C@H]1CN(C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000662327272 412899989 /nfs/dbraw/zinc/89/99/89/412899989.db2.gz LWNOUMKJMPUUNZ-CABCVRRESA-N 2 0 269.433 1.029 10 0 CDAERP [NH3+][C@H]1CCCN(C2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000070495217 379391744 /nfs/dbraw/zinc/39/17/44/379391744.db2.gz BBSWAMGSTHEMHV-INIZCTEOSA-N 2 0 287.407 1.601 10 0 CDAERP [NH3+]Cc1ccc(-c2noc(C3=CC[C@@H]([NH3+])C3)n2)cc1 ZINC000634557987 379671170 /nfs/dbraw/zinc/67/11/70/379671170.db2.gz MUQVAIGYNHGFNB-GFCCVEGCSA-N 2 0 256.309 1.700 10 0 CDAERP CCn1nnc(C)c1C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000449203302 250745407 /nfs/dbraw/zinc/74/54/07/250745407.db2.gz LFCBBMBHXQTFMF-UHFFFAOYSA-N 2 0 279.432 1.816 10 0 CDAERP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H](C[NH3+])C(F)(F)F)C[C@@H]1C ZINC000655921401 412930975 /nfs/dbraw/zinc/93/09/75/412930975.db2.gz LTULIRITQBPNIL-GUBZILKMSA-N 2 0 296.337 1.000 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000230715065 284886956 /nfs/dbraw/zinc/88/69/56/284886956.db2.gz DRTKYCNUIWPETR-OLZOCXBDSA-N 2 0 255.406 1.175 10 0 CDAERP CCc1cc(NCCCC[NH+]2CCOCC2)cc[nH+]1 ZINC000450253481 251195051 /nfs/dbraw/zinc/19/50/51/251195051.db2.gz DRERJHOAORRDIS-UHFFFAOYSA-N 2 0 263.385 1.590 10 0 CDAERP CC(=O)[C@@](C)(O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000450608347 251364982 /nfs/dbraw/zinc/36/49/82/251364982.db2.gz IROZOVVFSSKEES-KRWDZBQOSA-N 2 0 296.455 1.914 10 0 CDAERP CCC[NH+]1CCC([NH2+][C@@H]2CCN(C(=O)NCC)C2)CC1 ZINC000678773348 483162224 /nfs/dbraw/zinc/16/22/24/483162224.db2.gz XYEKYLGAEBXSNA-CQSZACIVSA-N 2 0 282.432 1.254 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000662402038 412967174 /nfs/dbraw/zinc/96/71/74/412967174.db2.gz FRFGZANHCYUGHY-KGLIPLIRSA-N 2 0 299.459 1.365 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)C2CCC2)[C@@H]2CCC[C@@H]21 ZINC000453372599 252307297 /nfs/dbraw/zinc/30/72/97/252307297.db2.gz GPGDGKAEVVEROE-AJNGGQMLSA-N 2 0 252.402 1.610 10 0 CDAERP [NH3+]C1CCC(NC(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000662404766 412968912 /nfs/dbraw/zinc/96/89/12/412968912.db2.gz JEGHRNNWSHQGLB-UHFFFAOYSA-N 2 0 251.374 1.047 10 0 CDAERP COCCN1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422703829 285029472 /nfs/dbraw/zinc/02/94/72/285029472.db2.gz IYBJVFTYXSSECZ-QBPKDAKJSA-N 2 0 295.471 1.608 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000655970769 412983385 /nfs/dbraw/zinc/98/33/85/412983385.db2.gz LNJUSBKNGFYRHC-AHDPXTMNSA-N 2 0 294.443 1.095 10 0 CDAERP C[C@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)[NH+](C)C ZINC000494249166 253609210 /nfs/dbraw/zinc/60/92/10/253609210.db2.gz YHHDEGGTGGHQTI-CYBMUJFWSA-N 2 0 269.433 1.565 10 0 CDAERP CC[NH+]1CCC(NC(=O)C[N@H+](C(C)C)[C@H]2CCOC2)CC1 ZINC000361415631 285188466 /nfs/dbraw/zinc/18/84/66/285188466.db2.gz PLHPHFZCXGOJSA-HNNXBMFYSA-N 2 0 297.443 1.086 10 0 CDAERP CC(C)C[C@@H](C)[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414204029 413012983 /nfs/dbraw/zinc/01/29/83/413012983.db2.gz WAOCTWAWMXGQOT-MRXNPFEDSA-N 2 0 297.487 1.807 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000335285940 285231462 /nfs/dbraw/zinc/23/14/62/285231462.db2.gz VOEYKRRCPJAMGL-GDBMZVCRSA-N 2 0 294.443 1.256 10 0 CDAERP C[N@H+](CCC(=O)N1CC[C@@H]2C[NH+](C)C[C@H]21)C1CCCCC1 ZINC000646912075 390296307 /nfs/dbraw/zinc/29/63/07/390296307.db2.gz MTMFOOYEPKUPRU-GDBMZVCRSA-N 2 0 293.455 1.804 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000418384786 285390594 /nfs/dbraw/zinc/39/05/94/285390594.db2.gz PAVKZKFZYZSKQZ-RDBSUJKOSA-N 2 0 282.432 1.110 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)CC[NH2+]1 ZINC000648185734 390946719 /nfs/dbraw/zinc/94/67/19/390946719.db2.gz DIHDNCSFFACDEU-AVGNSLFASA-N 2 0 265.401 1.165 10 0 CDAERP CC1(C)C[NH2+][C@H]1C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000648199137 390949663 /nfs/dbraw/zinc/94/96/63/390949663.db2.gz VTHQOYCQGZLSHP-KBPBESRZSA-N 2 0 273.380 1.069 10 0 CDAERP C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000247446868 390927857 /nfs/dbraw/zinc/92/78/57/390927857.db2.gz YKEPOJFBLWKRRX-HZSPNIEDSA-N 2 0 267.417 1.495 10 0 CDAERP c1cncc(CNCCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647546498 390989785 /nfs/dbraw/zinc/98/97/85/390989785.db2.gz MNTPXJSKGAMLLI-IXDOHACOSA-N 2 0 288.439 1.539 10 0 CDAERP CCCC[C@H](C[NH3+])NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000417794108 391068839 /nfs/dbraw/zinc/06/88/39/391068839.db2.gz PMNHSKLQSKFGMN-FFHGMXDLSA-N 2 0 296.459 1.818 10 0 CDAERP CC(C)([NH3+])CCC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000648104176 391336258 /nfs/dbraw/zinc/33/62/58/391336258.db2.gz OKJGZGBPAADJTH-QWHCGFSZSA-N 2 0 267.417 1.495 10 0 CDAERP C[C@H]([NH2+]CC1(O)CCOCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347922491 391409086 /nfs/dbraw/zinc/40/90/86/391409086.db2.gz CSXLNCCQLIFEJK-LSDHHAIUSA-N 2 0 296.455 1.771 10 0 CDAERP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)NCCC[NH3+] ZINC000418356302 391380651 /nfs/dbraw/zinc/38/06/51/391380651.db2.gz PWNMWENPXYRRDP-UHFFFAOYSA-N 2 0 292.427 1.545 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3nc[nH]c3C2)[C@@H]2CCC[C@@H]21 ZINC000353622658 391397963 /nfs/dbraw/zinc/39/79/63/391397963.db2.gz MKIHLGATCXFHJM-DVZHBHJUSA-N 2 0 274.412 1.729 10 0 CDAERP COCCO[C@@H]1CC[N@H+](Cc2cncn2C(C)C)C1 ZINC000425348605 391473527 /nfs/dbraw/zinc/47/35/27/391473527.db2.gz ZFIBDKCKPNLUCA-CQSZACIVSA-N 2 0 267.373 1.701 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+][C@H]2CC[C@H]2SC)CC1 ZINC000425353919 391483156 /nfs/dbraw/zinc/48/31/56/391483156.db2.gz NMXWAZHIHPSBGD-UONOGXRCSA-N 2 0 271.474 1.498 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000418578260 391519785 /nfs/dbraw/zinc/51/97/85/391519785.db2.gz PUQSGMSMOKZNSV-MCIONIFRSA-N 2 0 282.432 1.109 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@H]2C[C@H](C)CC[NH2+]2)cc1 ZINC000417808283 391495147 /nfs/dbraw/zinc/49/51/47/391495147.db2.gz FJUSLPCBTUQLKX-LALPHHSUSA-N 2 0 275.396 1.711 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000417810117 391497242 /nfs/dbraw/zinc/49/72/42/391497242.db2.gz NEDMDVNLMSODMK-CHWSQXEVSA-N 2 0 296.459 1.818 10 0 CDAERP C[C@@H]1COCC[C@H]1[NH2+]CCCC[NH+]1CCOCC1 ZINC000192478238 140140883 /nfs/dbraw/zinc/14/08/83/140140883.db2.gz SSHBYMIWVSZQGL-ZIAGYGMSSA-N 2 0 256.390 1.113 10 0 CDAERP C(C[NH+]1CCCC1)C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000162028475 391615307 /nfs/dbraw/zinc/61/53/07/391615307.db2.gz JBBJAUOBVSVILE-INIZCTEOSA-N 2 0 281.444 1.126 10 0 CDAERP CCC[C@H](C)C[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414985111 391683635 /nfs/dbraw/zinc/68/36/35/391683635.db2.gz MWXRPGIXGMBIGH-RYUDHWBXSA-N 2 0 281.366 1.848 10 0 CDAERP C[C@H]1CC[C@H](C)[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000362441940 391724639 /nfs/dbraw/zinc/72/46/39/391724639.db2.gz UKISOVISCYBBOU-KBPBESRZSA-N 2 0 293.455 1.850 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000418197334 391798058 /nfs/dbraw/zinc/79/80/58/391798058.db2.gz JEXOSUAQPSXPJS-HZSPNIEDSA-N 2 0 284.448 1.404 10 0 CDAERP CCc1nccn1[C@H](C)CC(=O)N[C@H](C[NH3+])CC(C)C ZINC000647811326 391798358 /nfs/dbraw/zinc/79/83/58/391798358.db2.gz NPNPJWOPYMXQQC-OLZOCXBDSA-N 2 0 280.416 1.886 10 0 CDAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NC2CC[NH+](C)CC2)C1 ZINC000246997049 391894111 /nfs/dbraw/zinc/89/41/11/391894111.db2.gz GSTGKWXUICEORW-GXTWGEPZSA-N 2 0 282.432 1.109 10 0 CDAERP CCSCC[NH2+]C[C@H](C)CN1CC[NH+](CC)CC1 ZINC000438212708 391898709 /nfs/dbraw/zinc/89/87/09/391898709.db2.gz ICNNLVZFDOYGSY-AWEZNQCLSA-N 2 0 273.490 1.603 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CCC[NH+]2C[C@@H]1C ZINC000113223804 391906417 /nfs/dbraw/zinc/90/64/17/391906417.db2.gz TXHREFINZXSWIQ-QWHCGFSZSA-N 2 0 253.390 1.022 10 0 CDAERP C[NH+]1CCC2(CC1)C[N@H+](C[C@H](O)CC1CCCC1)CCO2 ZINC000646106172 392015046 /nfs/dbraw/zinc/01/50/46/392015046.db2.gz QUXOAAOJOALSBQ-MRXNPFEDSA-N 2 0 296.455 1.724 10 0 CDAERP C[NH+](C)C1CC(NC(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000646108456 392020100 /nfs/dbraw/zinc/02/01/00/392020100.db2.gz CLCVLIUPYHPMKY-ROKHWSDSSA-N 2 0 267.417 1.460 10 0 CDAERP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCC[C@@H]1CCOC1 ZINC000645837952 392239026 /nfs/dbraw/zinc/23/90/26/392239026.db2.gz VUAFEFZFGDOHNZ-VQHPVUNQSA-N 2 0 296.455 1.987 10 0 CDAERP C[N@H+](Cc1ccccc1)[C@H](CN[C@@H]1CC[NH2+]C1)C1CC1 ZINC000423067392 392312978 /nfs/dbraw/zinc/31/29/78/392312978.db2.gz ZHPVABCJITUWBG-IAGOWNOFSA-N 2 0 273.424 1.849 10 0 CDAERP [NH3+]C1CCC(OCC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000567972657 392314833 /nfs/dbraw/zinc/31/48/33/392314833.db2.gz DULKUJLQDYAUGK-NEXFUWMNSA-N 2 0 295.427 1.016 10 0 CDAERP O=C([C@@H]1NCCc2ccccc21)N1CC[NH+]2CCC1CC2 ZINC000567909686 392290870 /nfs/dbraw/zinc/29/08/70/392290870.db2.gz NSXWSIMCXWXUJD-MRXNPFEDSA-N 2 0 285.391 1.180 10 0 CDAERP CC(C)C[C@H]([NH2+]C[C@H]1C[C@@H]1C)C(=O)NCC[NH+](C)C ZINC000488427829 392355765 /nfs/dbraw/zinc/35/57/65/392355765.db2.gz GWZJQMZTVHWPNZ-MJBXVCDLSA-N 2 0 269.433 1.325 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1COc2ccccc21 ZINC000423121390 392361615 /nfs/dbraw/zinc/36/16/15/392361615.db2.gz IPNHZWQPMHRIDX-CHWSQXEVSA-N 2 0 264.369 1.506 10 0 CDAERP CC(C)C1CC([NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000488449187 392363103 /nfs/dbraw/zinc/36/31/03/392363103.db2.gz NNCMMRRATGFNKT-QQFBHYJXSA-N 2 0 267.461 1.894 10 0 CDAERP CCn1nnc(C)c1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000629532840 392391276 /nfs/dbraw/zinc/39/12/76/392391276.db2.gz VRSWKQRBJAZYDM-BETUJISGSA-N 2 0 263.389 1.038 10 0 CDAERP C[C@H]1CC[NH2+]C[C@@H]1NCCC[NH2+]Cc1cccnc1 ZINC000423182499 392423595 /nfs/dbraw/zinc/42/35/95/392423595.db2.gz FANLWPAODGXLKE-ZFWWWQNUSA-N 2 0 262.401 1.149 10 0 CDAERP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CCC[NH3+])cc1 ZINC000423194845 392433494 /nfs/dbraw/zinc/43/34/94/392433494.db2.gz RWNJEDORSBLQBS-NSHDSACASA-N 2 0 285.413 1.448 10 0 CDAERP C[NH2+]CCCN[C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000423198233 392434798 /nfs/dbraw/zinc/43/47/98/392434798.db2.gz DTYRKFZSHMRLCW-JKSUJKDBSA-N 2 0 277.412 1.687 10 0 CDAERP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[C@H]1O ZINC000423166975 392406978 /nfs/dbraw/zinc/40/69/78/392406978.db2.gz ROWSYJSNYMTBFT-QCEMKRCNSA-N 2 0 262.397 1.696 10 0 CDAERP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000573935739 392471865 /nfs/dbraw/zinc/47/18/65/392471865.db2.gz OIZKUWLVWNCXHE-KKUMJFAQSA-N 2 0 296.459 1.404 10 0 CDAERP CCSCC[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000438173035 392542909 /nfs/dbraw/zinc/54/29/09/392542909.db2.gz CYZAZZWMXMFESY-ZDUSSCGKSA-N 2 0 260.447 1.566 10 0 CDAERP COC[C@@H](C)C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000527116608 392722907 /nfs/dbraw/zinc/72/29/07/392722907.db2.gz KSQIPYVYJVRLFK-ZFWWWQNUSA-N 2 0 254.418 1.933 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000646805990 392837012 /nfs/dbraw/zinc/83/70/12/392837012.db2.gz VNNGJKNYVCKPGG-ZOWXZIJZSA-N 2 0 275.396 1.711 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC000646805514 392826879 /nfs/dbraw/zinc/82/68/79/392826879.db2.gz MVYODXAVASLPFC-SWLSCSKDSA-N 2 0 275.396 1.807 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[C@H]2CCCC[NH+]2C)C1 ZINC000517392408 392884938 /nfs/dbraw/zinc/88/49/38/392884938.db2.gz ZFEYBPQRWLDJSK-HUUCEWRRSA-N 2 0 281.444 1.661 10 0 CDAERP CC[NH+]1CCC(NC(=O)CN2CCC[C@](C)(F)C2)CC1 ZINC000451122381 393109068 /nfs/dbraw/zinc/10/90/68/393109068.db2.gz QWUJFBDEEBSOPL-HNNXBMFYSA-N 2 0 285.407 1.411 10 0 CDAERP CC[N@@H+]1CC[C@H](CNCc2cnc(C3CC3)nc2)C1 ZINC000459392157 393132042 /nfs/dbraw/zinc/13/20/42/393132042.db2.gz PGGPQQMZGLQQOY-GFCCVEGCSA-N 2 0 260.385 1.785 10 0 CDAERP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1C ZINC000648794716 393364714 /nfs/dbraw/zinc/36/47/14/393364714.db2.gz BTEUFRBXQUFEPF-RFQIPJPRSA-N 2 0 267.417 1.268 10 0 CDAERP C[C@@H]1COCC[C@@H]1[NH2+]CCCC[NH+]1CCOCC1 ZINC000192478219 140141554 /nfs/dbraw/zinc/14/15/54/140141554.db2.gz SSHBYMIWVSZQGL-KGLIPLIRSA-N 2 0 256.390 1.113 10 0 CDAERP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000252438345 140319983 /nfs/dbraw/zinc/31/99/83/140319983.db2.gz ADSKZQXKLXJSHZ-XRGAULLZSA-N 2 0 291.439 1.508 10 0 CDAERP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000261833673 140396225 /nfs/dbraw/zinc/39/62/25/140396225.db2.gz JGIWXAGUCNYYKA-JQWIXIFHSA-N 2 0 291.420 1.769 10 0 CDAERP [NH3+][C@H](CNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+])C1CC1 ZINC000261974580 140413444 /nfs/dbraw/zinc/41/34/44/140413444.db2.gz VDTWSDDRXOVYNO-FRRDWIJNSA-N 2 0 253.390 1.138 10 0 CDAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656199779 413097189 /nfs/dbraw/zinc/09/71/89/413097189.db2.gz CZHCAAXAIBDGDV-KYOSRNDESA-N 3 0 276.428 1.840 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000662552207 413117938 /nfs/dbraw/zinc/11/79/38/413117938.db2.gz CNYTTXBYHIHBJJ-AGIUHOORSA-N 2 0 255.406 1.112 10 0 CDAERP Cc1cc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc[nH+]1 ZINC000664194091 413138300 /nfs/dbraw/zinc/13/83/00/413138300.db2.gz AGBNRNUXUDWOKO-AWEZNQCLSA-N 3 0 264.417 1.496 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000662593662 413160513 /nfs/dbraw/zinc/16/05/13/413160513.db2.gz PYMTZKFNDZAJRR-KBPBESRZSA-N 2 0 281.444 1.613 10 0 CDAERP C[NH+](C)C[C@H](NC(=O)C1CCC([NH3+])CC1)c1ccccc1 ZINC000040809282 397901059 /nfs/dbraw/zinc/90/10/59/397901059.db2.gz GQWUIMNPDQBDSR-GPANFISMSA-N 2 0 289.423 1.923 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000300409200 398094893 /nfs/dbraw/zinc/09/48/93/398094893.db2.gz PBEMEMUEEIGELR-XQQFMLRXSA-N 2 0 255.406 1.208 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000386011469 398057325 /nfs/dbraw/zinc/05/73/25/398057325.db2.gz UWHOIVXMEGXKOS-CYBMUJFWSA-N 2 0 253.390 1.057 10 0 CDAERP [NH3+]C1CCC(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000037628381 398098324 /nfs/dbraw/zinc/09/83/24/398098324.db2.gz BUPSUEQOMKCCBZ-PQAZSJQKSA-N 2 0 265.401 1.247 10 0 CDAERP C[C@H]1CCC[N@H+](CCNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000654374204 413195191 /nfs/dbraw/zinc/19/51/91/413195191.db2.gz MAYBSCDLSQDLSQ-SOUVJXGZSA-N 2 0 296.459 1.358 10 0 CDAERP COc1c(C[NH+]2CCC(CC[NH+](C)C)CC2)c(C)nn1C ZINC000092381200 147011641 /nfs/dbraw/zinc/01/16/41/147011641.db2.gz JVMASFRMZLDEGJ-UHFFFAOYSA-N 2 0 294.443 1.901 10 0 CDAERP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)[C@@H]1CCCO1 ZINC000658107171 413207572 /nfs/dbraw/zinc/20/75/72/413207572.db2.gz KTCLSAVYZDYJII-ZNMIVQPWSA-N 2 0 271.449 1.416 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N(C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000175776044 148008684 /nfs/dbraw/zinc/00/86/84/148008684.db2.gz ANHPYJDQZUHQEG-CABCVRRESA-N 2 0 298.475 1.842 10 0 CDAERP CN(CC[NH2+]CC1CCCC1)C(=O)CCC[NH+](C)C ZINC001664147222 1172817301 /nfs/dbraw/zinc/81/73/01/1172817301.db2.gz XPXPVICZJGOPMZ-UHFFFAOYSA-N 2 0 269.433 1.566 10 0 CDAERP COc1cc(C)nc(CNC[C@H](C)C[NH+](C)C)c1 ZINC000310722432 149199222 /nfs/dbraw/zinc/19/92/22/149199222.db2.gz AVSLSUMEQWIUAF-NSHDSACASA-N 2 0 251.374 1.686 10 0 CDAERP c1cn(CCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)nn1 ZINC000126462056 296630507 /nfs/dbraw/zinc/63/05/07/296630507.db2.gz MKCVPANFPDMDRS-SOUVJXGZSA-N 2 0 277.416 1.569 10 0 CDAERP CC(C)C(=O)N1CC[NH+](C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000334883297 150029327 /nfs/dbraw/zinc/02/93/27/150029327.db2.gz VSRQEEKWTPWRQS-KBPBESRZSA-N 2 0 267.417 1.175 10 0 CDAERP CC(C)[NH+]1CCN(C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)CC1 ZINC000334958282 150115946 /nfs/dbraw/zinc/11/59/46/150115946.db2.gz MFYZBJNKPZVESF-UKRRQHHQSA-N 2 0 282.432 1.049 10 0 CDAERP CN(CC[NH2+]CC1CC1)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001664309141 1172838162 /nfs/dbraw/zinc/83/81/62/1172838162.db2.gz HHQRKXMZGSLCHP-LSDHHAIUSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[NH2+][C@H](C)C2)cc1 ZINC000335198468 150397591 /nfs/dbraw/zinc/39/75/91/150397591.db2.gz XVNQIJPGIZJHBK-NEPJUHHUSA-N 2 0 276.384 1.210 10 0 CDAERP CC(C)(C[NH3+])C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000336232984 151378706 /nfs/dbraw/zinc/37/87/06/151378706.db2.gz XHNZVPKDBOBLDF-UHFFFAOYSA-N 2 0 265.332 1.395 10 0 CDAERP CC[C@@H]1C[N@H+](CCn2ccnc2C)CCN1CC(F)F ZINC000346159099 153076340 /nfs/dbraw/zinc/07/63/40/153076340.db2.gz IEHKNHACWNCXTJ-CYBMUJFWSA-N 2 0 286.370 1.853 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCCCC[NH+]1CCOCC1 ZINC000349122532 154056435 /nfs/dbraw/zinc/05/64/35/154056435.db2.gz YUVHXKLFTWASFB-HNNXBMFYSA-N 2 0 297.443 1.089 10 0 CDAERP CN(C(=O)NCCC[NH+]1CCCC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000349761012 154208141 /nfs/dbraw/zinc/20/81/41/154208141.db2.gz ZPQISDFVWCLOCU-HNNXBMFYSA-N 2 0 294.443 1.350 10 0 CDAERP CCC[C@](C)([NH3+])C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000662686390 413310664 /nfs/dbraw/zinc/31/06/64/413310664.db2.gz DZNZWPAXAAKVLI-HOCLYGCPSA-N 2 0 291.395 1.804 10 0 CDAERP [NH3+][C@@H](c1cn([C@H]2CCC[NH2+]C2)nn1)c1ccc(Cl)cc1 ZINC000656468146 413326249 /nfs/dbraw/zinc/32/62/49/413326249.db2.gz VDUZIODPZVEKKR-GXTWGEPZSA-N 2 0 291.786 1.904 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C[N@@H+]1C1CC1 ZINC000654480881 413342336 /nfs/dbraw/zinc/34/23/36/413342336.db2.gz ASNHJKBTCHELNO-BHPKHCPMSA-N 2 0 294.443 1.251 10 0 CDAERP CC[NH+]1CCC([NH2+]CC2(CC(N)=O)CCCCC2)CC1 ZINC000658337269 413374236 /nfs/dbraw/zinc/37/42/36/413374236.db2.gz FNSCXFQMHKTHJV-UHFFFAOYSA-N 2 0 281.444 1.886 10 0 CDAERP CN(C(=O)c1cc(C(C)(C)[NH3+])no1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000662720290 413379386 /nfs/dbraw/zinc/37/93/86/413379386.db2.gz YQJRNOLSVZUWIK-NSHDSACASA-N 2 0 292.383 1.177 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)NCC[NH+]1CCCCC1 ZINC000656537431 413382954 /nfs/dbraw/zinc/38/29/54/413382954.db2.gz HSCBUSVAUBWSTM-CQSZACIVSA-N 2 0 296.459 1.644 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+]3CCCC[C@H]23)C1 ZINC000654515068 413382307 /nfs/dbraw/zinc/38/23/07/413382307.db2.gz ZHDLSZXNXRZVPC-HZSPNIEDSA-N 2 0 265.401 1.071 10 0 CDAERP COc1cccc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)n1 ZINC000361917934 159017174 /nfs/dbraw/zinc/01/71/74/159017174.db2.gz BVHVXZOSAQZJAJ-UMVBOHGHSA-N 2 0 277.412 1.951 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000662730880 413395510 /nfs/dbraw/zinc/39/55/10/413395510.db2.gz TVDPYECERRWWIZ-ZIAGYGMSSA-N 2 0 263.385 1.566 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000373516476 160207582 /nfs/dbraw/zinc/20/75/82/160207582.db2.gz PUJWLECYFBZRBQ-OCCSQVGLSA-N 2 0 290.411 1.140 10 0 CDAERP Cc1cc(NC(=O)CC2([NH3+])CC2)n(C2CC[NH+](C)CC2)n1 ZINC000662746023 413422586 /nfs/dbraw/zinc/42/25/86/413422586.db2.gz ZFMDTYLWSBXRTD-UHFFFAOYSA-N 2 0 291.399 1.278 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)NCC[NH2+]C1CCCCCC1 ZINC000418436717 286921098 /nfs/dbraw/zinc/92/10/98/286921098.db2.gz CLHZJQXCTQYVIG-NEPJUHHUSA-N 2 0 270.421 1.334 10 0 CDAERP C[C@H](CCCC[NH3+])NC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662564995 411768430 /nfs/dbraw/zinc/76/84/30/411768430.db2.gz DCCMUUYVJSTJTL-DOMZBBRYSA-N 2 0 275.396 1.855 10 0 CDAERP CCC[NH+]1CCC(C[NH3+])(N(C)CCc2ccccn2)CC1 ZINC000019844025 170892494 /nfs/dbraw/zinc/89/24/94/170892494.db2.gz QVUUVPBJFMQRPV-UHFFFAOYSA-N 2 0 290.455 1.759 10 0 CDAERP C[N@@H+]1CCCN([C@@H](C[NH3+])c2ccccc2Cl)CC1 ZINC000020217637 171080302 /nfs/dbraw/zinc/08/03/02/171080302.db2.gz DKRNVQFPFXMYTJ-AWEZNQCLSA-N 2 0 267.804 1.977 10 0 CDAERP [NH3+][C@H](Cc1ccccc1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000021989075 171346319 /nfs/dbraw/zinc/34/63/19/171346319.db2.gz BIZHLXOOWGXFLC-SQNIBIBYSA-N 2 0 284.403 1.877 10 0 CDAERP C[NH+]1CCN([C@H](C[NH3+])c2ccc(OC(F)F)cc2)CC1 ZINC000022209406 171372906 /nfs/dbraw/zinc/37/29/06/171372906.db2.gz DEZYXSRLMODLGX-CYBMUJFWSA-N 2 0 285.338 1.535 10 0 CDAERP C[C@H](C(=O)Nc1cccc(C[NH3+])c1)[NH+]1CCCCC1 ZINC000022223291 171379343 /nfs/dbraw/zinc/37/93/43/171379343.db2.gz BPFLSPHQMDXYFP-GFCCVEGCSA-N 2 0 261.369 1.958 10 0 CDAERP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCCCC[C@H]1[NH3+])C2 ZINC000653197780 412130518 /nfs/dbraw/zinc/13/05/18/412130518.db2.gz SJJCIXTTWNPJPM-MPTYRVRUSA-N 2 0 293.455 1.872 10 0 CDAERP C[NH+](C)CCN(Cc1ccccc1F)C(=O)CC1([NH3+])CC1 ZINC000662777568 413480386 /nfs/dbraw/zinc/48/03/86/413480386.db2.gz HIXYFISHKYJTNY-UHFFFAOYSA-N 2 0 293.386 1.597 10 0 CDAERP O=C(N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)C1([NH2+]C2CC2)CCC1 ZINC000662786402 413496333 /nfs/dbraw/zinc/49/63/33/413496333.db2.gz WDPDKHFUMDBNPH-KGLIPLIRSA-N 2 0 291.439 1.509 10 0 CDAERP CCO[C@@H]1C[N@H+](CCOc2cccc(C)c2)C[C@H]1C[NH3+] ZINC000405285741 413541964 /nfs/dbraw/zinc/54/19/64/413541964.db2.gz DUWNQXFQVHFCGX-GDBMZVCRSA-N 2 0 278.396 1.669 10 0 CDAERP CN(C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000654659936 413548678 /nfs/dbraw/zinc/54/86/78/413548678.db2.gz NIDUDFVSIQYIFS-AEGPPILISA-N 2 0 294.443 1.205 10 0 CDAERP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654661043 413551710 /nfs/dbraw/zinc/55/17/10/413551710.db2.gz NCPBFWPFMCQODH-APIJFGDWSA-N 2 0 296.459 1.308 10 0 CDAERP CC(C)=CCCNC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000664738672 413627275 /nfs/dbraw/zinc/62/72/75/413627275.db2.gz ZXBOVTGJRDQJNQ-HNNXBMFYSA-N 2 0 298.475 1.914 10 0 CDAERP C[NH+](C)C1CCN(C(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000036190854 172502348 /nfs/dbraw/zinc/50/23/48/172502348.db2.gz VRQHCKWOFCWISZ-UHFFFAOYSA-N 2 0 261.369 1.312 10 0 CDAERP CCN(C(=O)N[C@@H]1CCc2[nH]cnc2C1)[C@@H]1CC[N@H+](C)C1 ZINC000664926104 413735115 /nfs/dbraw/zinc/73/51/15/413735115.db2.gz FWACTWOPLOCDLA-VXGBXAGGSA-N 2 0 291.399 1.003 10 0 CDAERP O=C(CC[NH2+]C1CC1)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659364071 413748114 /nfs/dbraw/zinc/74/81/14/413748114.db2.gz GVHHSBULVRFWHZ-OAHLLOKOSA-N 2 0 289.379 1.428 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659449397 413835817 /nfs/dbraw/zinc/83/58/17/413835817.db2.gz ZGWHSTBQVDNLNO-QWHCGFSZSA-N 2 0 272.437 1.389 10 0 CDAERP CN(CC(C)(C)[NH3+])C(=O)NCC1([NH3+])CCCCCC1 ZINC000659506164 413899872 /nfs/dbraw/zinc/89/98/72/413899872.db2.gz YGSMASMKPWUOQT-UHFFFAOYSA-N 2 0 270.421 1.417 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407270412 413912759 /nfs/dbraw/zinc/91/27/59/413912759.db2.gz OYXNYAQEGREFQF-ZIAGYGMSSA-N 2 0 267.417 1.365 10 0 CDAERP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cnc(C(F)(F)F)nc2)C1 ZINC000665234963 413963792 /nfs/dbraw/zinc/96/37/92/413963792.db2.gz NBBFTKQCUYBVSU-UWVGGRQHSA-N 2 0 274.290 1.855 10 0 CDAERP C[C@@H]1C[N@H+](C)C[C@H]1N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665257902 413982863 /nfs/dbraw/zinc/98/28/63/413982863.db2.gz XXIPXAIMHXCLOW-BASLNEPJSA-N 2 0 291.414 1.811 10 0 CDAERP C[NH+]1CCC[C@@H](NC(=O)NCC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000655131461 414078127 /nfs/dbraw/zinc/07/81/27/414078127.db2.gz AVYNNOZOBXJPTO-ZIAGYGMSSA-N 2 0 282.432 1.112 10 0 CDAERP Cn1ncc(C(F)(F)F)c1C[NH2+]CCn1ccnc1 ZINC000657288519 414111560 /nfs/dbraw/zinc/11/15/60/414111560.db2.gz IEOQZJHKIPYCMX-UHFFFAOYSA-N 2 0 273.262 1.425 10 0 CDAERP CC(C)[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000665367301 414118281 /nfs/dbraw/zinc/11/82/81/414118281.db2.gz USICTBLWESEUKV-AWEZNQCLSA-N 2 0 296.459 1.595 10 0 CDAERP C[N@@H+]1CCCN(C(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)CC1 ZINC000665367984 414119341 /nfs/dbraw/zinc/11/93/41/414119341.db2.gz JTUDAKBMSSVZKQ-ZDUSSCGKSA-N 2 0 282.432 1.206 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@](O)(C2CC2)C1 ZINC000661626083 414225972 /nfs/dbraw/zinc/22/59/72/414225972.db2.gz LROIAVFSKIHMQQ-CABCVRRESA-N 2 0 252.402 1.708 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)C[NH2+][C@H](C)CC)CC1 ZINC000037617206 173565611 /nfs/dbraw/zinc/56/56/11/173565611.db2.gz VYPDMFJTYVCMLE-CYBMUJFWSA-N 2 0 269.433 1.755 10 0 CDAERP CCN(C(=O)N[C@H]1CC[NH+](C(C)(C)C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000665553157 414271943 /nfs/dbraw/zinc/27/19/43/414271943.db2.gz PCBWKTDMUMUHFH-UONOGXRCSA-N 2 0 296.459 1.595 10 0 CDAERP CCN(C(=O)N[C@@H]1CC[NH+](C(C)(C)C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000665553158 414273427 /nfs/dbraw/zinc/27/34/27/414273427.db2.gz PCBWKTDMUMUHFH-ZIAGYGMSSA-N 2 0 296.459 1.595 10 0 CDAERP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cnn3c2CCC3)CC1 ZINC000657397118 414284692 /nfs/dbraw/zinc/28/46/92/414284692.db2.gz PBSZYIPDTFMWSE-UHFFFAOYSA-N 2 0 292.427 1.154 10 0 CDAERP CC(C)(CO)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657411379 414296011 /nfs/dbraw/zinc/29/60/11/414296011.db2.gz RPCFDKRDBHZOEC-UHFFFAOYSA-N 2 0 260.341 1.375 10 0 CDAERP CC(C)(C)C(=O)N1CCC([NH2+]CC23CC(C2)C[NH2+]3)CC1 ZINC000663499058 414297023 /nfs/dbraw/zinc/29/70/23/414297023.db2.gz VXNMTJUDBXPPQC-UHFFFAOYSA-N 2 0 279.428 1.365 10 0 CDAERP O[C@]1(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CCCOC1 ZINC000659957494 414298902 /nfs/dbraw/zinc/29/89/02/414298902.db2.gz UDOFNTFIYQUQSL-CVEARBPZSA-N 2 0 282.428 1.336 10 0 CDAERP C[C@@H]1C[C@@H](C[N@@H+]2CCOc3ccc(O)cc3C2)CC[NH2+]1 ZINC000663501786 414300604 /nfs/dbraw/zinc/30/06/04/414300604.db2.gz AUTGIQORSLOPGD-OLZOCXBDSA-N 2 0 276.380 1.975 10 0 CDAERP COC[C@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)OC ZINC000659957451 414300740 /nfs/dbraw/zinc/30/07/40/414300740.db2.gz SIIBRDGLBRCZJZ-GJZGRUSLSA-N 2 0 270.417 1.456 10 0 CDAERP CC(C)(C)[NH+]1CCC(NC(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000037770556 173702490 /nfs/dbraw/zinc/70/24/90/173702490.db2.gz SJRWCEPQOOVFQM-LBPRGKRZSA-N 2 0 267.417 1.365 10 0 CDAERP c1ccc([C@@H]2CC[N@@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C2)cc1 ZINC000662251850 414585280 /nfs/dbraw/zinc/58/52/80/414585280.db2.gz KFHUUWHVCSLAKN-CVEARBPZSA-N 2 0 272.392 1.997 10 0 CDAERP CCCC[N@H+](CC(N)=O)Cc1cccc2c1CC[NH2+]C2 ZINC000662252839 414586876 /nfs/dbraw/zinc/58/68/76/414586876.db2.gz QHPZKDSVJCIZII-UHFFFAOYSA-N 2 0 275.396 1.420 10 0 CDAERP CCCC[N@H+](CCOC)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662254958 414589616 /nfs/dbraw/zinc/58/96/16/414589616.db2.gz MYXOADWGONPGIZ-ZDUSSCGKSA-N 2 0 256.390 1.256 10 0 CDAERP COCC[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CCCC1 ZINC000662257822 414592989 /nfs/dbraw/zinc/59/29/89/414592989.db2.gz QNOCKMOLZUHWJW-CQSZACIVSA-N 2 0 268.401 1.398 10 0 CDAERP C[C@@H]1CCN(Cc2ccc3c(c2)C[NH2+]CC3)[C@H](C[NH3+])C1 ZINC000662315061 414633744 /nfs/dbraw/zinc/63/37/44/414633744.db2.gz LCIZGACZWCIRKS-DYVFJYSZSA-N 2 0 273.424 1.892 10 0 CDAERP CC[NH+]1CCC([C@@H](C)[NH2+]CCCS(C)(=O)=O)CC1 ZINC000038047496 174057809 /nfs/dbraw/zinc/05/78/09/174057809.db2.gz BRQSXABVQVORPM-GFCCVEGCSA-N 2 0 276.446 1.131 10 0 CDAERP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000040430460 174259698 /nfs/dbraw/zinc/25/96/98/174259698.db2.gz ZVMXUNZZZMYHFY-QWHCGFSZSA-N 2 0 277.368 1.285 10 0 CDAERP C[C@H]1CCC[C@@H]([N@@H+]2CCC[C@@H]2C(=O)N2CC[NH2+]CC2)C1 ZINC000040508075 174302932 /nfs/dbraw/zinc/30/29/32/174302932.db2.gz QVVULQPQNWPTTO-RRFJBIMHSA-N 2 0 279.428 1.461 10 0 CDAERP C[C@H](C[NH+]1CCC([NH+]2CCCCC2)CC1)C(N)=S ZINC000040694048 174377825 /nfs/dbraw/zinc/37/78/25/174377825.db2.gz HZXPJZTVJBZSMT-GFCCVEGCSA-N 2 0 269.458 1.859 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000040693961 174378026 /nfs/dbraw/zinc/37/80/26/174378026.db2.gz CKUPQPASNLSCFV-CABCVRRESA-N 2 0 251.418 1.817 10 0 CDAERP CC(C)[C@H]([NH3+])CN1CCC([NH+]2CCCCC2)CC1 ZINC000040694446 174378369 /nfs/dbraw/zinc/37/83/69/174378369.db2.gz PYMNAAUIMXDCJX-OAHLLOKOSA-N 2 0 253.434 1.920 10 0 CDAERP Cc1cccc([C@@H](C[NH3+])N2CCC[N@@H+](C)CC2)c1C ZINC000043314520 175004593 /nfs/dbraw/zinc/00/45/93/175004593.db2.gz SLAVXWYRIWGURC-MRXNPFEDSA-N 2 0 261.413 1.941 10 0 CDAERP C[C@@H]([NH3+])[C@@H](c1cccnc1)N1CCC(C[NH+](C)C)CC1 ZINC000043347936 175018073 /nfs/dbraw/zinc/01/80/73/175018073.db2.gz WEQHQQLMRMBUBZ-CJNGLKHVSA-N 2 0 276.428 1.744 10 0 CDAERP CCC[C@H](C)NC(=O)[C@@H](C)[N@H+](CCC[NH3+])CC(C)C ZINC000043417381 175038367 /nfs/dbraw/zinc/03/83/67/175038367.db2.gz QSUOIRSSBWEMTD-UONOGXRCSA-N 2 0 271.449 1.987 10 0 CDAERP CC[NH+]1CCN([C@@H]2COc3ccccc3[C@H]2[NH2+]C)CC1 ZINC000043805897 175108214 /nfs/dbraw/zinc/10/82/14/175108214.db2.gz UUDMSYUAGGUNBK-GDBMZVCRSA-N 2 0 275.396 1.346 10 0 CDAERP CCC[NH2+][C@H]1c2ccccc2C[C@H]1N1CC[NH+](C)CC1 ZINC000043811001 175110177 /nfs/dbraw/zinc/11/01/77/175110177.db2.gz ZOFWRHKFLFSYMG-SJORKVTESA-N 2 0 273.424 1.899 10 0 CDAERP C[NH2+][C@@H](CN1CCC[N@H+](C)CC1)c1ccc(OC)cc1 ZINC000043818110 175113062 /nfs/dbraw/zinc/11/30/62/175113062.db2.gz YYBCPNSPYVCHFY-INIZCTEOSA-N 2 0 277.412 1.593 10 0 CDAERP C[NH2+][C@@H]1CCCC[C@@H]1N1CC[NH+](C(C)(C)C)CC1 ZINC000043965524 175127058 /nfs/dbraw/zinc/12/70/58/175127058.db2.gz ONOBLSNNIBSUCK-KGLIPLIRSA-N 2 0 253.434 1.933 10 0 CDAERP C[C@@H]1C[NH2+]C[C@@H](C)CN([C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000044678659 175228103 /nfs/dbraw/zinc/22/81/03/175228103.db2.gz CXPZMFMKVRZRJS-UMVBOHGHSA-N 2 0 251.418 1.401 10 0 CDAERP [NH3+][C@@H](CN[C@H]1CC[N@@H+](C2CC2)C1)Cc1ccccc1 ZINC000044679392 175228749 /nfs/dbraw/zinc/22/87/49/175228749.db2.gz HXMXJGQJLOIZTF-CABCVRRESA-N 2 0 259.397 1.383 10 0 CDAERP CCC[NH2+][C@@H]1CCN([C@@H]2CC[N@@H+](C3CC3)C2)C[C@@H]1C ZINC000044725440 175237888 /nfs/dbraw/zinc/23/78/88/175237888.db2.gz ISGKJSHXXJUSCI-NUEKZKHPSA-N 2 0 265.445 1.933 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)C1(C[NH3+])CCCCC1 ZINC000044753433 175245992 /nfs/dbraw/zinc/24/59/92/175245992.db2.gz XPDKKUHTWQHXSF-CYBMUJFWSA-N 2 0 267.417 1.496 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]CCC(=O)NC)C1 ZINC000044989189 175285563 /nfs/dbraw/zinc/28/55/63/175285563.db2.gz RQVZSRKIUPDPAR-CHWSQXEVSA-N 2 0 255.406 1.223 10 0 CDAERP CC(C)[C@@H](C[NH3+])C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000044995409 175287353 /nfs/dbraw/zinc/28/73/53/175287353.db2.gz JYIQQCANMFLLLJ-QWHCGFSZSA-N 2 0 255.406 1.208 10 0 CDAERP C[C@@H](C(=O)N1CC[NH2+]CC1)[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045074033 175302693 /nfs/dbraw/zinc/30/26/93/175302693.db2.gz ZJQPLJGKEDEJJJ-DZGCQCFKSA-N 2 0 279.428 1.461 10 0 CDAERP Cc1nn(C)c(C)c1[C@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000045168301 175319254 /nfs/dbraw/zinc/31/92/54/175319254.db2.gz LFWYTSUGTUEIBE-ZDUSSCGKSA-N 2 0 293.459 1.325 10 0 CDAERP CC[NH2+][C@@](C)(CCCC[N@@H+]1CCC[C@@H]1CC)C(N)=O ZINC000045367408 175363149 /nfs/dbraw/zinc/36/31/49/175363149.db2.gz SWZXWCXTQYQFQE-ZFWWWQNUSA-N 2 0 269.433 1.885 10 0 CDAERP CC(C)[NH2+][C@@](C)(CCC[NH+]1CCCCC1)C(N)=O ZINC000045378367 175367791 /nfs/dbraw/zinc/36/77/91/175367791.db2.gz BOMCMLRZOHNCIW-AWEZNQCLSA-N 2 0 255.406 1.495 10 0 CDAERP C[N@H+](CCCC[C@](C)([NH3+])C(N)=O)C1CCCCC1 ZINC000045379069 175368701 /nfs/dbraw/zinc/36/87/01/175368701.db2.gz LZUPEAWOLHNOGU-AWEZNQCLSA-N 2 0 255.406 1.624 10 0 CDAERP CC(C)[NH2+][C@H]1CCCN(C[C@@H]2CCC[N@H+](C)C2)C1=O ZINC000071032348 176023718 /nfs/dbraw/zinc/02/37/18/176023718.db2.gz HXRMVOJGLJKRFN-KGLIPLIRSA-N 2 0 267.417 1.317 10 0 CDAERP CC(C)[NH2+][C@H]1CCCN([C@@H](C)C[NH+]2CCCC2)C1=O ZINC000071033592 176024136 /nfs/dbraw/zinc/02/41/36/176024136.db2.gz MMKZTMPSGJRCFN-KBPBESRZSA-N 2 0 267.417 1.460 10 0 CDAERP CC(C)[NH2+][C@H]1CCCN(C[C@H]2CC[N@@H+](C(C)C)C2)C1=O ZINC000071035261 176025056 /nfs/dbraw/zinc/02/50/56/176025056.db2.gz LXKCLKVKCAGNLR-GJZGRUSLSA-N 2 0 281.444 1.706 10 0 CDAERP CCC[NH2+][C@H]1CCN(CC[NH+](C(C)C)C(C)C)C1=O ZINC000071036168 176025661 /nfs/dbraw/zinc/02/56/61/176025661.db2.gz XXHCJBDYSWYRIZ-AWEZNQCLSA-N 2 0 269.433 1.706 10 0 CDAERP CC(C)[NH2+][C@@H]1CCN([C@@H](C)C[NH+]2CCCCC2)C1=O ZINC000071037351 176025938 /nfs/dbraw/zinc/02/59/38/176025938.db2.gz ZPANOVXBHWZXRP-UONOGXRCSA-N 2 0 267.417 1.460 10 0 CDAERP CC[NH+](CC)[C@H](CN1CC[C@@H]([NH2+]C)C1=O)c1ccccc1 ZINC000071037609 176026638 /nfs/dbraw/zinc/02/66/38/176026638.db2.gz VXOVZECDVUAGPL-HZPDHXFCSA-N 2 0 289.423 1.890 10 0 CDAERP CC[NH2+][C@@H]1CCN([C@H](C)CCC[NH+](CC)CC)C1=O ZINC000071038084 176026763 /nfs/dbraw/zinc/02/67/63/176026763.db2.gz BAMPCCDLMCAIDT-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP C[N@H+](CCN1CC[NH2+]CC1)C[C@H]1OCCc2ccccc21 ZINC000071092204 176031975 /nfs/dbraw/zinc/03/19/75/176031975.db2.gz SWQNXRBLZAJFME-QGZVFWFLSA-N 2 0 289.423 1.137 10 0 CDAERP CC[C@H]1CCCC[C@H]1[NH2+]CCN1CC[NH+](C)CC1 ZINC000071161079 176046805 /nfs/dbraw/zinc/04/68/05/176046805.db2.gz YUUFRPNJQXFZTK-LSDHHAIUSA-N 2 0 253.434 1.792 10 0 CDAERP CC[C@H]1CCCC[C@]1(C[NH3+])N1CC[NH+](CC)CC1 ZINC000071161527 176046851 /nfs/dbraw/zinc/04/68/51/176046851.db2.gz HRUKFAMZGBNEIH-LSDHHAIUSA-N 2 0 253.434 1.922 10 0 CDAERP COc1ccc([C@@H]([NH3+])[C@@H](C)N(C)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000071188719 176063856 /nfs/dbraw/zinc/06/38/56/176063856.db2.gz HGGMEIFKANIBPK-CPUCHLNUSA-N 2 0 291.439 1.967 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000071189802 176065480 /nfs/dbraw/zinc/06/54/80/176065480.db2.gz SVFRXISDYRDPHX-KGLIPLIRSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)[NH2+][C@@H]1CCCN([C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000071200784 176077563 /nfs/dbraw/zinc/07/75/63/176077563.db2.gz MBQHAMQVQOMCSQ-UKRRQHHQSA-N 2 0 251.418 1.686 10 0 CDAERP Nc1ccn(CCC[NH+]2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000071352523 176135693 /nfs/dbraw/zinc/13/56/93/176135693.db2.gz VGOSPBWOQJTEPW-UHFFFAOYSA-N 2 0 291.443 1.663 10 0 CDAERP CC(C)[NH2+]CCCC(=O)NCC[N@H+](C)C1CCCC1 ZINC000071378698 176143673 /nfs/dbraw/zinc/14/36/73/176143673.db2.gz FTUOWDAILYQLEE-UHFFFAOYSA-N 2 0 269.433 1.755 10 0 CDAERP C[NH2+][C@@H]1CCCC[C@H]1CN1CC[NH+](CC(C)(C)O)CC1 ZINC000071381736 176145859 /nfs/dbraw/zinc/14/58/59/176145859.db2.gz UUBAEOOZMBFSRO-LSDHHAIUSA-N 2 0 283.460 1.153 10 0 CDAERP COc1cccc(CC[N@@H+]2CCO[C@H](CC[NH3+])C2)c1 ZINC000071596996 176219998 /nfs/dbraw/zinc/21/99/98/176219998.db2.gz RTVGYWQEOMUAJS-OAHLLOKOSA-N 2 0 264.369 1.287 10 0 CDAERP C[C@@H](CC[NH3+])CCC(=O)N1CCC([NH+](C)C)CC1 ZINC000079117161 177435791 /nfs/dbraw/zinc/43/57/91/177435791.db2.gz BBWQCUCFOZZYGF-GFCCVEGCSA-N 2 0 255.406 1.304 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+]C/C=C/Cl ZINC001666611277 1173160316 /nfs/dbraw/zinc/16/03/16/1173160316.db2.gz SXSBGBRIJFXTMK-DUMNWFOQSA-N 2 0 261.797 1.033 10 0 CDAERP CCCCC[NH2+]C[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001666611080 1173161242 /nfs/dbraw/zinc/16/12/42/1173161242.db2.gz RDKDQJVDPXGJID-CQSZACIVSA-N 2 0 283.460 1.860 10 0 CDAERP CO[C@H](C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)C1CCC1 ZINC000662266293 423814090 /nfs/dbraw/zinc/81/40/90/423814090.db2.gz LGYZTODSKBPTRH-GBJTYRQASA-N 2 0 252.402 1.861 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2C[C@]23CCC[NH2+]C3)CC[N@@H+]1C ZINC000655449234 423875174 /nfs/dbraw/zinc/87/51/74/423875174.db2.gz QCOONMXJJRRXAT-KQTLUZQSSA-N 2 0 279.428 1.317 10 0 CDAERP CCc1nnc([C@@H](C)N2C[C@H](C[NH3+])C3(C2)CCOCC3)[nH]1 ZINC000662272703 423833200 /nfs/dbraw/zinc/83/32/00/423833200.db2.gz GYSNJRKYCTWHCE-NEPJUHHUSA-N 2 0 293.415 1.115 10 0 CDAERP C[NH+](C)CCN1CC[N@H+](C[C@@H]2CC=CCC2)CC1=O ZINC000651890879 423860573 /nfs/dbraw/zinc/86/05/73/423860573.db2.gz WOZXJRSXXAJFAA-CQSZACIVSA-N 2 0 265.401 1.049 10 0 CDAERP C[C@@H]([NH3+])C[C@H](C)NCc1nc2c(s1)C[NH2+]CC2 ZINC000663496485 423890314 /nfs/dbraw/zinc/89/03/14/423890314.db2.gz GWBFPCFKRWRSQH-BDAKNGLRSA-N 2 0 254.403 1.004 10 0 CDAERP C[NH+]1CCC(C[NH2+]Cc2cc3n(n2)CCCC3)CC1 ZINC000655729285 424005808 /nfs/dbraw/zinc/00/58/08/424005808.db2.gz IKVKFYDGEIQHND-UHFFFAOYSA-N 2 0 262.401 1.651 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)N(CC)[C@@H]1CC[NH+](CC)C1 ZINC000663940967 424066990 /nfs/dbraw/zinc/06/69/90/424066990.db2.gz HWWIJIWUGSUKKW-HUUCEWRRSA-N 2 0 298.475 1.842 10 0 CDAERP CCN(C(=O)NC[C@H](C)[NH+](C)C1CC1)[C@H]1CC[N@H+](C)C1 ZINC000663999538 424097368 /nfs/dbraw/zinc/09/73/68/424097368.db2.gz RZHCXLKQNDAQFK-JSGCOSHPSA-N 2 0 282.432 1.205 10 0 CDAERP [NH3+]CC1(CCNC(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000652208406 424039388 /nfs/dbraw/zinc/03/93/88/424039388.db2.gz DDNFDAYSPKIVCD-CYBMUJFWSA-N 2 0 276.384 1.115 10 0 CDAERP CC[N@H+](CCCNC(=O)NCCC[NH3+])C1CCCCC1 ZINC000652203276 424056721 /nfs/dbraw/zinc/05/67/21/424056721.db2.gz HDVPSUDETXYMMG-UHFFFAOYSA-N 2 0 284.448 1.679 10 0 CDAERP C[C@H](O)CNc1cc(NC[C@@H]2CC[N@@H+]2C(C)(C)C)ncn1 ZINC000664142271 424151665 /nfs/dbraw/zinc/15/16/65/424151665.db2.gz HTPVUNBZDARJAI-RYUDHWBXSA-N 2 0 293.415 1.554 10 0 CDAERP C[C@@]12COC[C@H]1C[NH+](CCC[N@H+]1C[C@H]3COC[C@]3(C)C1)C2 ZINC000661697369 424163225 /nfs/dbraw/zinc/16/32/25/424163225.db2.gz BHMPEROXDUZWMN-WNKDZCFJSA-N 2 0 294.439 1.313 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(C)CC2C[NH+](C)C2)C1 ZINC000664004115 424100139 /nfs/dbraw/zinc/10/01/39/424100139.db2.gz XJAKNRKSSYYPHR-CQSZACIVSA-N 2 0 296.459 1.310 10 0 CDAERP [NH3+]C[C@H](NC(=O)[C@H]([NH3+])CC1CCCCC1)C(F)(F)F ZINC000655517460 424194602 /nfs/dbraw/zinc/19/46/02/424194602.db2.gz CHMGLHUSYPRBQZ-ZJUUUORDSA-N 2 0 281.322 1.290 10 0 CDAERP CCC(C)(C)[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000655269496 424201719 /nfs/dbraw/zinc/20/17/19/424201719.db2.gz NKNATZOTPRCAJC-CQSZACIVSA-N 2 0 281.444 1.661 10 0 CDAERP OCC1([NH2+]Cc2ccc3c(c2)C[NH2+]CC3)CCCC1 ZINC000652344374 424274151 /nfs/dbraw/zinc/27/41/51/424274151.db2.gz WIUJAEQMYZOBQH-UHFFFAOYSA-N 2 0 260.381 1.727 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000662731217 424382873 /nfs/dbraw/zinc/38/28/73/424382873.db2.gz ZQNMWKAFPZCYST-TZMCWYRMSA-N 2 0 269.433 1.502 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)[C@H]1CC[NH2+][C@H]1CC ZINC000664719074 424325498 /nfs/dbraw/zinc/32/54/98/424325498.db2.gz MOUDITMNMPOXTB-STQMWFEESA-N 2 0 269.433 1.611 10 0 CDAERP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CC1([NH3+])CC1 ZINC000662696373 424331587 /nfs/dbraw/zinc/33/15/87/424331587.db2.gz YGOVKMJEBVMZDI-XQQFMLRXSA-N 2 0 267.417 1.350 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000659619153 424415793 /nfs/dbraw/zinc/41/57/93/424415793.db2.gz MTGORIGWUQFECH-YNEHKIRRSA-N 2 0 270.421 1.271 10 0 CDAERP CC[N@H+](C)C[C@H]1CCN(C(=O)NCC[C@@H]([NH3+])C(C)C)C1 ZINC000659621437 424417191 /nfs/dbraw/zinc/41/71/91/424417191.db2.gz FAOZVBDGQQPKAU-ZIAGYGMSSA-N 2 0 284.448 1.343 10 0 CDAERP C[C@@H]1CC[C@@H]([NH2+]CCCN2CCC[N@H+](C)CC2)CS1 ZINC000655714365 424483598 /nfs/dbraw/zinc/48/35/98/424483598.db2.gz BQJXVLKQQQWANJ-HUUCEWRRSA-N 2 0 285.501 1.888 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H](C[NH3+])c2ccccc2)C1 ZINC000655488584 424507441 /nfs/dbraw/zinc/50/74/41/424507441.db2.gz CUEMYNYPLUGAQR-VHDGCEQUSA-N 2 0 275.396 1.185 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)C1 ZINC000655349139 424473810 /nfs/dbraw/zinc/47/38/10/424473810.db2.gz KKALKHNWGSOHRA-KFWWJZLASA-N 2 0 279.428 1.461 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000662926120 424561689 /nfs/dbraw/zinc/56/16/89/424561689.db2.gz WPLFRCNGHUFRMS-HUUCEWRRSA-N 2 0 275.396 1.363 10 0 CDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC[C@@H]2CCCO2)CC1 ZINC000189180657 270275056 /nfs/dbraw/zinc/27/50/56/270275056.db2.gz ZZZMLZTYBMNRBR-HOCLYGCPSA-N 2 0 284.444 1.580 10 0 CDAERP C[NH+](C)CCNC(=O)C1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC000528413501 270814691 /nfs/dbraw/zinc/81/46/91/270814691.db2.gz INABMERUMNFDSN-UHFFFAOYSA-N 2 0 295.471 1.812 10 0 CDAERP C(C[C@@H]1CCCOC1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000530211042 271152354 /nfs/dbraw/zinc/15/23/54/271152354.db2.gz LYAJITSMDNCUBK-GBJTYRQASA-N 2 0 252.402 1.781 10 0 CDAERP COCCC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530241773 271178915 /nfs/dbraw/zinc/17/89/15/271178915.db2.gz RBCJVBJHGRWKTQ-AWEZNQCLSA-N 2 0 256.390 1.113 10 0 CDAERP C(C[NH+]1CCCCCC1)N[C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422801433 276805390 /nfs/dbraw/zinc/80/53/90/276805390.db2.gz BXGCVYWWKQPBSK-JKSUJKDBSA-N 2 0 281.444 1.219 10 0 CDAERP COC(=O)C1(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000450594128 277049557 /nfs/dbraw/zinc/04/95/57/277049557.db2.gz CHEKIJRIAMDNDN-DZGCQCFKSA-N 2 0 292.423 1.888 10 0 CDAERP COC1(C[C@H](C)[NH2+]CCOCC[NH+](C)C)CCC1 ZINC000447591385 277470959 /nfs/dbraw/zinc/47/09/59/277470959.db2.gz CYTYLOTVNLNVIS-ZDUSSCGKSA-N 2 0 258.406 1.502 10 0 CDAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCC(=O)N(C)C1 ZINC000251180153 278218295 /nfs/dbraw/zinc/21/82/95/278218295.db2.gz HAKZDXWMDOCETL-MCIONIFRSA-N 2 0 267.417 1.508 10 0 CDAERP CC1(C)CCC[N@@H+]1CCN[C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423158834 278219988 /nfs/dbraw/zinc/21/99/88/278219988.db2.gz DNYUWWNMZXGOPL-HUUCEWRRSA-N 2 0 281.444 1.217 10 0 CDAERP C[C@H]1CC2(C[N@@H+]1CC(=O)N(C)CC1CC1)CC[NH2+]CC2 ZINC000424292915 278327843 /nfs/dbraw/zinc/32/78/43/278327843.db2.gz OTNYPDVCQOUELS-ZDUSSCGKSA-N 2 0 279.428 1.319 10 0 CDAERP CC[NH+](CC)CCCN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000191791251 279096279 /nfs/dbraw/zinc/09/62/79/279096279.db2.gz IFIKOODFZPXWEO-GJZGRUSLSA-N 2 0 253.434 1.887 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000362867851 279166713 /nfs/dbraw/zinc/16/67/13/279166713.db2.gz MTILHEQDKMIQGZ-HNNXBMFYSA-N 2 0 281.444 1.661 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000414749607 279180698 /nfs/dbraw/zinc/18/06/98/279180698.db2.gz WKESXTLECKDOBK-IKGGRYGDSA-N 2 0 296.503 1.318 10 0 CDAERP CC[C@@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000130375502 279637905 /nfs/dbraw/zinc/63/79/05/279637905.db2.gz RLXWXOORSRCWON-UONOGXRCSA-N 2 0 263.385 1.013 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000195128242 280070846 /nfs/dbraw/zinc/07/08/46/280070846.db2.gz KZODWGUZOFCZSH-KGLIPLIRSA-N 2 0 282.432 1.254 10 0 CDAERP CC[N@H+](CC(=O)NCC[NH+]1CCCC[C@H]1C)C1CC1 ZINC000246261060 280268182 /nfs/dbraw/zinc/26/81/82/280268182.db2.gz LEPZWALASGPROK-CYBMUJFWSA-N 2 0 267.417 1.461 10 0 CDAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1CC[NH2+]CC1 ZINC000245873815 288315318 /nfs/dbraw/zinc/31/53/18/288315318.db2.gz AGYQDUSAETXBKB-KBPBESRZSA-N 2 0 265.401 1.071 10 0 CDAERP CC[C@H](C(=O)N(CC)CC[NH2+]Cc1ccccn1)[NH+](C)C ZINC001668619767 1173433163 /nfs/dbraw/zinc/43/31/63/1173433163.db2.gz USWANXFVKIKVSG-OAHLLOKOSA-N 2 0 292.427 1.360 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000237184728 289307554 /nfs/dbraw/zinc/30/75/54/289307554.db2.gz HWZWPGTWOKPSFK-FVCCEPFGSA-N 2 0 253.390 1.103 10 0 CDAERP CN(CCC(=O)NCCC[NH+]1CCCC1)c1cc[nH+]cc1 ZINC000540929107 289470754 /nfs/dbraw/zinc/47/07/54/289470754.db2.gz SMWNSRISPWLDRM-UHFFFAOYSA-N 2 0 290.411 1.510 10 0 CDAERP CN(CCC(=O)NC1CC[NH+](C)CC1)c1cc[nH+]cc1 ZINC000542787372 289562583 /nfs/dbraw/zinc/56/25/83/289562583.db2.gz DAYKELLSIQOLOO-UHFFFAOYSA-N 2 0 276.384 1.118 10 0 CDAERP C[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH2+]C2)[C@@H]2CCC[C@@H]21 ZINC000423214975 290219715 /nfs/dbraw/zinc/21/97/15/290219715.db2.gz PXDNYEOYYVOAOJ-QPSCCSFWSA-N 2 0 251.418 1.448 10 0 CDAERP Cc1nn(C)c(C)c1C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000570782434 294306378 /nfs/dbraw/zinc/30/63/78/294306378.db2.gz PEOFUPQAZWIJJQ-MFKMUULPSA-N 2 0 250.390 1.515 10 0 CDAERP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H]2CCCC2(C)C)CC1 ZINC000572993355 294732889 /nfs/dbraw/zinc/73/28/89/294732889.db2.gz ZQNYLCSNZVELKM-HUUCEWRRSA-N 2 0 283.460 1.011 10 0 CDAERP [NH3+]C1(CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CCCCC1 ZINC000370707058 295208526 /nfs/dbraw/zinc/20/85/26/295208526.db2.gz BNJUOJPQWWCKEN-MCIONIFRSA-N 2 0 279.428 1.685 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000089456816 295271802 /nfs/dbraw/zinc/27/18/02/295271802.db2.gz VFBXECIDKDZGRR-MGPQQGTHSA-N 2 0 265.401 1.058 10 0 CDAERP C[C@H]1CC[C@@H]([NH3+])C[C@@H]1C(=O)NCC(C)(C)[NH+](C)C ZINC000055141724 524362219 /nfs/dbraw/zinc/36/22/19/524362219.db2.gz SMJHTRURKWLAAA-TUAOUCFPSA-N 2 0 255.406 1.206 10 0 CDAERP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000237492816 298976338 /nfs/dbraw/zinc/97/63/38/298976338.db2.gz WVAPENQFEVBXPJ-RMEBNNNOSA-N 2 0 279.428 1.493 10 0 CDAERP C[C@@H](C[N@H+](C)CC1CCCC1)NC(=O)CC[NH+](C)C ZINC001669873752 1173622411 /nfs/dbraw/zinc/62/24/11/1173622411.db2.gz VDBMCOFWNBJHGE-ZDUSSCGKSA-N 2 0 269.433 1.565 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](C[NH2+]CC)C1 ZINC001672326742 1173766144 /nfs/dbraw/zinc/76/61/44/1173766144.db2.gz DPZRIHLURYAUJC-UONOGXRCSA-N 2 0 269.433 1.422 10 0 CDAERP Cc1noc(CCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC000577752781 317398407 /nfs/dbraw/zinc/39/84/07/317398407.db2.gz UNYGTKHGFMSBSW-BETUJISGSA-N 2 0 264.373 1.242 10 0 CDAERP CC(C)CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001673305974 1173843451 /nfs/dbraw/zinc/84/34/51/1173843451.db2.gz QYBWWAYECUXGNN-OAHLLOKOSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@@H](C)CS(C)(=O)=O)CC1 ZINC000182830458 323303641 /nfs/dbraw/zinc/30/36/41/323303641.db2.gz GSEWFVXZTXYHLC-LBPRGKRZSA-N 2 0 276.446 1.131 10 0 CDAERP CN(C(=O)CC[C@@H]1CCCC[N@@H+]1C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000579709084 324260116 /nfs/dbraw/zinc/26/01/16/324260116.db2.gz RTCAMVKFKLXARC-QGPPMGRFSA-N 2 0 293.455 1.992 10 0 CDAERP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](C)C(C)(C)C)CC1 ZINC000584116500 327042207 /nfs/dbraw/zinc/04/22/07/327042207.db2.gz AYOLWWRMYPRDQI-GFCCVEGCSA-N 2 0 269.433 1.611 10 0 CDAERP CN(CCC[NH2+]Cc1ccsc1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268811708 1160019092 /nfs/dbraw/zinc/01/90/92/1160019092.db2.gz RAAORTQBBFKRRV-CQSZACIVSA-N 2 0 295.452 1.780 10 0 CDAERP CCC[C@H](C)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000668740887 482224454 /nfs/dbraw/zinc/22/44/54/482224454.db2.gz YEYXAPZRSMWUGZ-ZFWWWQNUSA-N 2 0 254.418 1.954 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)CC2([NH3+])CC2)C[N@@H+]1Cc1ccccc1 ZINC000398120374 482244566 /nfs/dbraw/zinc/24/45/66/482244566.db2.gz ASYJKDJAJCUKDD-UKRRQHHQSA-N 2 0 287.407 1.647 10 0 CDAERP C[NH+](C)CCN(Cc1ccccc1)C(=O)CC1([NH3+])CC1 ZINC000398179022 482246131 /nfs/dbraw/zinc/24/61/31/482246131.db2.gz RWOOBVJONJDRFH-UHFFFAOYSA-N 2 0 275.396 1.458 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652118961 482442549 /nfs/dbraw/zinc/44/25/49/482442549.db2.gz DQRZSVSHONUVDG-UHFFFAOYSA-N 2 0 282.432 1.287 10 0 CDAERP [NH3+]C/C=C/CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000668665807 482498833 /nfs/dbraw/zinc/49/88/33/482498833.db2.gz YQCQWRLUROOMKW-MBVDDHJVSA-N 2 0 288.395 1.075 10 0 CDAERP CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000669530084 482597752 /nfs/dbraw/zinc/59/77/52/482597752.db2.gz PQFRMEUKRBEFCU-MJBXVCDLSA-N 2 0 282.432 1.158 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000672876882 482627624 /nfs/dbraw/zinc/62/76/24/482627624.db2.gz KMAKHUPIDXHPNO-HOTGVXAUSA-N 2 0 293.455 1.851 10 0 CDAERP CC[C@@H]1CN(C(=O)NC[C@@H](C)[NH+](CC)CC)CC[C@@H]1[NH3+] ZINC000669286307 482648004 /nfs/dbraw/zinc/64/80/04/482648004.db2.gz CXBKNNZEDZNOAT-MCIONIFRSA-N 2 0 284.448 1.486 10 0 CDAERP C[NH+](C)CCc1ccc(CNC(=O)NC/C=C\C[NH3+])cc1 ZINC000669567403 482710701 /nfs/dbraw/zinc/71/07/01/482710701.db2.gz XSEKXFUNWCOPBM-ARJAWSKDSA-N 2 0 290.411 1.105 10 0 CDAERP CO[C@@]1(CO)CCC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000401727341 482711473 /nfs/dbraw/zinc/71/14/73/482711473.db2.gz RLDFLMHWIFEMJA-CABCVRRESA-N 2 0 270.417 1.334 10 0 CDAERP CCC[N@@H+]1CC[C@@H](NC(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000389586310 482837834 /nfs/dbraw/zinc/83/78/34/482837834.db2.gz NBMATNPZWPKGNK-CHWSQXEVSA-N 2 0 253.390 1.119 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000228492825 482854614 /nfs/dbraw/zinc/85/46/14/482854614.db2.gz YEUXBHIKFSPUET-RWMBFGLXSA-N 2 0 253.390 1.055 10 0 CDAERP C[NH+](C)[C@@H]1CCCN(Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667585103 482860436 /nfs/dbraw/zinc/86/04/36/482860436.db2.gz QLTWVOQILDKBOE-OAHLLOKOSA-N 2 0 285.395 1.793 10 0 CDAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000261546629 482915177 /nfs/dbraw/zinc/91/51/77/482915177.db2.gz LCFGSYWXSSNMKD-HOCLYGCPSA-N 2 0 289.423 1.623 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000088277262 482930183 /nfs/dbraw/zinc/93/01/83/482930183.db2.gz NJRYASHPKFWGJX-UONOGXRCSA-N 2 0 267.417 1.304 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCCN(c3ncccn3)C2)C1 ZINC000250157254 483014425 /nfs/dbraw/zinc/01/44/25/483014425.db2.gz DUFNLDKRTUJASR-MCIONIFRSA-N 2 0 275.400 1.305 10 0 CDAERP C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)C[C@H]1CCC[C@@H]1O ZINC000667695983 483385046 /nfs/dbraw/zinc/38/50/46/483385046.db2.gz INAHEUCKYIUSFO-CJNGLKHVSA-N 2 0 286.379 1.860 10 0 CDAERP Cc1noc([C@H](C)NCc2ccnn2-c2cc[nH+]cc2)n1 ZINC000668050630 483547923 /nfs/dbraw/zinc/54/79/23/483547923.db2.gz WTBSUSGUXFGOHC-JTQLQIEISA-N 2 0 284.323 1.810 10 0 CDAERP CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000676687314 483561398 /nfs/dbraw/zinc/56/13/98/483561398.db2.gz ULBJQYBTGHJDRW-ZDUSSCGKSA-N 2 0 270.421 1.062 10 0 CDAERP CC[C@H](C[NH+]1CCCC1)NC(=O)N(C)CCC[NH+](C)C ZINC000680513594 483644817 /nfs/dbraw/zinc/64/48/17/483644817.db2.gz QOOAVDJJCNDLLT-CQSZACIVSA-N 2 0 284.448 1.454 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001409352645 1160818998 /nfs/dbraw/zinc/81/89/98/1160818998.db2.gz HKDREUKNLWXAME-KBPBESRZSA-N 2 0 283.460 2.000 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CCN(CC(C)(C)C[NH+](C)C)C1 ZINC000053010835 519723601 /nfs/dbraw/zinc/72/36/01/519723601.db2.gz IKWDETIQKHOXSV-AWEZNQCLSA-N 2 0 255.450 1.894 10 0 CDAERP CC(C)[NH2+]C[C@H]1CC[C@@H](CN2CC[NH+](C(C)C)CC2)O1 ZINC000052480128 519725837 /nfs/dbraw/zinc/72/58/37/519725837.db2.gz CRKNKJBMFWBKEO-CVEARBPZSA-N 2 0 283.460 1.558 10 0 CDAERP CCCC1CC[NH+](CCC[C@@](C)([NH2+]C)C(N)=O)CC1 ZINC000050905780 519900999 /nfs/dbraw/zinc/90/09/99/519900999.db2.gz XSQHPIKIHVVUBA-OAHLLOKOSA-N 2 0 269.433 1.742 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)C[C@@H]2CCCO2)O1 ZINC000052541057 519950298 /nfs/dbraw/zinc/95/02/98/519950298.db2.gz CPCMVOSDFQRDMZ-IHRRRGAJSA-N 2 0 256.390 1.254 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000061267072 519964208 /nfs/dbraw/zinc/96/42/08/519964208.db2.gz GXMXOEWTGGPPOI-ZFWWWQNUSA-N 2 0 277.412 1.651 10 0 CDAERP CCC[NH2+][C@](C)(C[C@H](C)N(C)[C@@H]1CCC[N@H+](C)C1)C(N)=O ZINC000068642409 520114722 /nfs/dbraw/zinc/11/47/22/520114722.db2.gz ISUHQZDUDAUTPZ-SQWLQELKSA-N 2 0 298.475 1.035 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC ZINC001715649807 1179751835 /nfs/dbraw/zinc/75/18/35/1179751835.db2.gz WRPXLWOICIEIGS-STQMWFEESA-N 2 0 255.406 1.365 10 0 CDAERP C[NH2+]Cc1cc(COC2CC[NH+](C)CC2)oc1C ZINC000052596610 522110165 /nfs/dbraw/zinc/11/01/65/522110165.db2.gz DHVHAPUFQGNNNZ-UHFFFAOYSA-N 2 0 252.358 1.918 10 0 CDAERP CC(C)(C)[NH2+]C[C@@H]1CC[C@@H](C[NH+]2CCSCC2)O1 ZINC000052443294 518760664 /nfs/dbraw/zinc/76/06/64/518760664.db2.gz RYJFCVNFIFRLGJ-STQMWFEESA-N 2 0 272.458 1.971 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)[C@@H]2CC[C@@H](C)[C@@H]([NH3+])C2)CC1 ZINC000055132075 519724566 /nfs/dbraw/zinc/72/45/66/519724566.db2.gz UOWXVRPXHDAFTA-KFWWJZLASA-N 2 0 281.444 1.550 10 0 CDAERP CC(C)C[NH+]1CCN([C@@H](C[NH3+])c2ccccn2)CC1 ZINC000055077038 519727655 /nfs/dbraw/zinc/72/76/55/519727655.db2.gz LODBELTYIYDPCJ-HNNXBMFYSA-N 2 0 262.401 1.355 10 0 CDAERP CC(C)C[NH+]1CCN([C@H](C[NH3+])c2ccco2)CC1 ZINC000055077380 519728174 /nfs/dbraw/zinc/72/81/74/519728174.db2.gz CMLMTHTZSPSIPU-CYBMUJFWSA-N 2 0 251.374 1.553 10 0 CDAERP CC(C)[NH2+][C@](C)(CO)C[C@@H](C)N1CCC[C@@H]1C[NH+](C)C ZINC000070335088 519739715 /nfs/dbraw/zinc/73/97/15/519739715.db2.gz OQUAWSPCXZLENA-OAGGEKHMSA-N 2 0 285.476 1.540 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CC[C@H](C[N@@H+]2CCOCC2(C)C)O1 ZINC000052546199 519745153 /nfs/dbraw/zinc/74/51/53/519745153.db2.gz SCAYUORNFNNQSJ-LSDHHAIUSA-N 2 0 284.444 1.890 10 0 CDAERP CC(C)OCC[N@H+]1CCCN(C[C@@H](C)C[NH3+])CC1 ZINC000049259258 519765876 /nfs/dbraw/zinc/76/58/76/519765876.db2.gz HTMJFAJNAUUAAU-AWEZNQCLSA-N 2 0 257.422 1.014 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NS(=O)(=O)c1ccccc1C[NH3+] ZINC000049204841 519814795 /nfs/dbraw/zinc/81/47/95/519814795.db2.gz ZNNRSMRJXQLPBF-ZDUSSCGKSA-N 2 0 299.440 1.010 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C)CC1 ZINC000055141533 519845842 /nfs/dbraw/zinc/84/58/42/519845842.db2.gz KKGFNULSFYGRFS-BPLDGKMQSA-N 2 0 281.444 1.741 10 0 CDAERP CCC[NH+]1CCN(c2ncc([C@@H](C)[NH2+]C)s2)CC1 ZINC000054899186 519860432 /nfs/dbraw/zinc/86/04/32/519860432.db2.gz VCHNSWYLOURUMG-LLVKDONJSA-N 2 0 268.430 1.956 10 0 CDAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)N(C)C ZINC000054629040 519907758 /nfs/dbraw/zinc/90/77/58/519907758.db2.gz NZUNSSXFZZWDLE-AGUYFDCRSA-N 2 0 267.417 1.460 10 0 CDAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC[N@H+](C)CC ZINC000054628583 519907892 /nfs/dbraw/zinc/90/78/92/519907892.db2.gz KHWQPCATFFXKBO-GOOCMWNKSA-N 2 0 253.434 1.933 10 0 CDAERP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CC[N@H+](C)CCOC ZINC000061380879 519909838 /nfs/dbraw/zinc/90/98/38/519909838.db2.gz VRFSNKFBJBRYHT-MQVJKMGUSA-N 2 0 283.460 1.560 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@H](C[N@@H+]2CCCN(C)CC2)O1 ZINC000052424364 519939093 /nfs/dbraw/zinc/93/90/93/519939093.db2.gz HUSCEMFNBROQKD-HUUCEWRRSA-N 2 0 269.433 1.171 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@@H](C[NH+]2CCC(C[NH+](C)C)CC2)O1 ZINC000052515440 519950848 /nfs/dbraw/zinc/95/08/48/519950848.db2.gz GIDBAYYOUOOEIT-HOTGVXAUSA-N 3 0 283.460 1.417 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@@H](CN2CC[NH+](CC(C)C)CC2)O1 ZINC000055082799 519979134 /nfs/dbraw/zinc/97/91/34/519979134.db2.gz ARJSULVZJUNVFJ-CVEARBPZSA-N 2 0 283.460 1.417 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@@H+]2CCO[C@@H](CC)C2)O1 ZINC000052477340 519980431 /nfs/dbraw/zinc/98/04/31/519980431.db2.gz LFFZNDREALLUPN-MJBXVCDLSA-N 2 0 256.390 1.254 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@H](C[N@@H+]2CCC[C@@H]2CN(C)C)O1 ZINC000061654506 519981284 /nfs/dbraw/zinc/98/12/84/519981284.db2.gz JDYIMROGAMTHFM-RBSFLKMASA-N 2 0 269.433 1.170 10 0 CDAERP CCC[NH2+][C@@H]1CCOC[C@@H]1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062979574 520024068 /nfs/dbraw/zinc/02/40/68/520024068.db2.gz BKZGEROIHXOTTA-BBWFWOEESA-N 2 0 295.471 1.704 10 0 CDAERP CCC[NH2+][C@H](CN1CCC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000069075281 520083446 /nfs/dbraw/zinc/08/34/46/520083446.db2.gz LXQBGBFJKDSJLG-HZPDHXFCSA-N 2 0 265.445 1.935 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)C(C)(C)[NH2+]C)CC1 ZINC000061317721 520584812 /nfs/dbraw/zinc/58/48/12/520584812.db2.gz XQLCELVMKNACOW-UHFFFAOYSA-N 2 0 269.433 1.565 10 0 CDAERP CC[NH+](CC)CCN1CCc2ccccc2[C@@H]1C[NH3+] ZINC000069311904 520665300 /nfs/dbraw/zinc/66/53/00/520665300.db2.gz PMYUTGBVOGKYDN-INIZCTEOSA-N 2 0 261.413 1.886 10 0 CDAERP CC[NH+](CC)CCOc1ccc(C(=O)NCCC[NH3+])cc1 ZINC000236870143 520698872 /nfs/dbraw/zinc/69/88/72/520698872.db2.gz YTVZPFWBFOCGDL-UHFFFAOYSA-N 2 0 293.411 1.486 10 0 CDAERP CCCCOCC[N@@H+]1CCCN(CCC[NH3+])CC1 ZINC000049261671 520760467 /nfs/dbraw/zinc/76/04/67/520760467.db2.gz YUFBKWNNBQFICC-UHFFFAOYSA-N 2 0 257.422 1.160 10 0 CDAERP CC1CC[NH+](CCNC(=O)[C@H]2CCC[C@@H]([NH3+])[C@@H]2C)CC1 ZINC000055136658 521013073 /nfs/dbraw/zinc/01/30/73/521013073.db2.gz IWLQZVLGYIFCOY-QLFBSQMISA-N 2 0 281.444 1.598 10 0 CDAERP CCC[C@H](C)[C@@H](C[NH3+])N1CC[NH+](CC2CC2)CC1 ZINC000049953103 521064812 /nfs/dbraw/zinc/06/48/12/521064812.db2.gz KJPUGUNHGHCWOW-DZGCQCFKSA-N 2 0 253.434 1.778 10 0 CDAERP CCC[C@](C)([NH3+])C(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000373040165 521274032 /nfs/dbraw/zinc/27/40/32/521274032.db2.gz QBRZBDIKCQLXHR-ZBFHGGJFSA-N 2 0 281.444 1.981 10 0 CDAERP CC[NH+]1CCC([C@H](C)[NH2+][C@H]2CCCS(=O)(=O)C2)CC1 ZINC000069142292 521584814 /nfs/dbraw/zinc/58/48/14/521584814.db2.gz XUFYVCUUZWIOSS-JSGCOSHPSA-N 2 0 288.457 1.274 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@@H]1CCC[C@@H](C)[C@@H]1[NH3+] ZINC000055139758 521653983 /nfs/dbraw/zinc/65/39/83/521653983.db2.gz INJVDNACEFYCRZ-MCIONIFRSA-N 2 0 269.433 1.550 10 0 CDAERP C[NH+](C)CCN1CCN(c2ccc(Cl)cc2C[NH3+])CC1 ZINC000061641613 521767658 /nfs/dbraw/zinc/76/76/58/521767658.db2.gz QUFBOPKSRAFQKS-UHFFFAOYSA-N 2 0 296.846 1.482 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1[C@@H](CC[NH3+])C(F)(F)F ZINC000061642571 521843583 /nfs/dbraw/zinc/84/35/83/521843583.db2.gz QJUFRBSNDUWCQF-UWVGGRQHSA-N 2 0 253.312 1.292 10 0 CDAERP C[NH2+]C[C@H]1CC[C@H](COCC[C@@H]2CCC[N@@H+]2C)O1 ZINC000052673616 522096022 /nfs/dbraw/zinc/09/60/22/522096022.db2.gz OWKBBZTXRMAVRW-BFHYXJOUSA-N 2 0 256.390 1.254 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000055077826 522113315 /nfs/dbraw/zinc/11/33/15/522113315.db2.gz OXRISZKCTSNEGO-OLZOCXBDSA-N 2 0 253.390 1.071 10 0 CDAERP C[NH2+]Cc1ccc(N2CC[NH+](CC(C)C)CC2)nc1 ZINC000055082469 522119013 /nfs/dbraw/zinc/11/90/13/522119013.db2.gz QACMNCZFNZQHRQ-UHFFFAOYSA-N 2 0 262.401 1.579 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(CC[NH2+]C[C@@H]2CCCO2)CC1 ZINC000055075576 522122660 /nfs/dbraw/zinc/12/26/60/522122660.db2.gz AARFJWNHAUNADU-CABCVRRESA-N 2 0 269.433 1.171 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(Cc2ccc(C[NH3+])o2)CC1 ZINC000055073630 522125589 /nfs/dbraw/zinc/12/55/89/522125589.db2.gz VPFKIOBGVIFUMN-GFCCVEGCSA-N 2 0 251.374 1.654 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(Cc2ccoc2C[NH3+])CC1 ZINC000055073696 522127282 /nfs/dbraw/zinc/12/72/82/522127282.db2.gz JONNXRHWJZPDAQ-GFCCVEGCSA-N 2 0 251.374 1.654 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(c2nc(C)ccc2C[NH3+])CC1 ZINC000055063366 522138050 /nfs/dbraw/zinc/13/80/50/522138050.db2.gz STENBVXRYBKLHN-CYBMUJFWSA-N 2 0 262.401 1.769 10 0 CDAERP C[NH2+]Cc1cn(CC[N@@H+]2CCc3sccc3[C@H]2C)nn1 ZINC000052505448 522144320 /nfs/dbraw/zinc/14/43/20/522144320.db2.gz WLYKWKVXSOXQLB-LLVKDONJSA-N 2 0 291.424 1.678 10 0 CDAERP C[NH2+]Cc1coc(CN2CC[NH+](C(C)(C)C)CC2)c1 ZINC000052571656 522149790 /nfs/dbraw/zinc/14/97/90/522149790.db2.gz XKKTXWFWAVDHGZ-UHFFFAOYSA-N 2 0 265.401 1.915 10 0 CDAERP C[NH2+][C@@H]1c2ccccc2OC[C@H]1N1CCC[C@@H]1C[NH+](C)C ZINC000061643665 522403153 /nfs/dbraw/zinc/40/31/53/522403153.db2.gz NRNUSKPWWOMKIR-FRFSOERESA-N 2 0 289.423 1.734 10 0 CDAERP CN(CC[NH+]1CCCC1)[C@H](C[NH3+])C1CCCCC1 ZINC000063051254 522831809 /nfs/dbraw/zinc/83/18/09/522831809.db2.gz ISDIKLSYBCXECY-OAHLLOKOSA-N 2 0 253.434 1.922 10 0 CDAERP COCC[N@H+](Cc1cc(F)ccc1C[NH3+])[C@@H](C)COC ZINC000069401423 523740516 /nfs/dbraw/zinc/74/05/16/523740516.db2.gz IMIBCSUXSZQXHT-LBPRGKRZSA-N 2 0 284.375 1.768 10 0 CDAERP CN(C(=O)C[C@H]1CCC[C@H]([NH3+])C1)C1CC[NH+](C)CC1 ZINC000055123282 523846165 /nfs/dbraw/zinc/84/61/65/523846165.db2.gz KIRYMIBFQFYHGP-STQMWFEESA-N 2 0 267.417 1.447 10 0 CDAERP CC[C@H](C)[N@H+](CCOC)Cc1cccnc1C(N)=[NH2+] ZINC000061658278 523938632 /nfs/dbraw/zinc/93/86/32/523938632.db2.gz FWMVEMKFFHLMPC-NSHDSACASA-N 2 0 264.373 1.613 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C2(C[NH3+])Cc3ccccc3C2)CC1 ZINC000055064327 523952733 /nfs/dbraw/zinc/95/27/33/523952733.db2.gz WEZCJGTUDLEHPW-HNNXBMFYSA-N 2 0 287.451 1.899 10 0 CDAERP CC[C@H](C)NC(=O)CC[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000052205700 523967326 /nfs/dbraw/zinc/96/73/26/523967326.db2.gz PBIYRXDNBXQHNA-UONOGXRCSA-N 2 0 269.433 1.755 10 0 CDAERP C[NH+](C)C1CCN(C(=O)CCC2CCC([NH3+])CC2)CC1 ZINC000055128244 524038670 /nfs/dbraw/zinc/03/86/70/524038670.db2.gz WZYMAXAQBNBIGV-UHFFFAOYSA-N 2 0 281.444 1.837 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@@H]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000055147410 524038734 /nfs/dbraw/zinc/03/87/34/524038734.db2.gz BKEXHADCPCTMPW-CHWSQXEVSA-N 2 0 267.417 1.304 10 0 CDAERP C[NH+](C)CC1CCN([C@H](C[NH3+])C2CCOCC2)CC1 ZINC000052177724 524050178 /nfs/dbraw/zinc/05/01/78/524050178.db2.gz WWZVMVFMHJSBDB-OAHLLOKOSA-N 2 0 269.433 1.014 10 0 CDAERP C[C@H]1CCC[N@@H+]1CCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000052375931 524118856 /nfs/dbraw/zinc/11/88/56/524118856.db2.gz RJQWTDNOWIVXHX-LBPRGKRZSA-N 2 0 265.405 1.651 10 0 CDAERP C[C@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000055134941 524144584 /nfs/dbraw/zinc/14/45/84/524144584.db2.gz QQBHIJGUUVXWMO-NWANDNLSSA-N 2 0 281.444 1.550 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)C[C@@H]1CCCC[NH2+]1 ZINC000049502511 524328920 /nfs/dbraw/zinc/32/89/20/524328920.db2.gz JTWGIASLLMICHJ-KGLIPLIRSA-N 2 0 267.417 1.509 10 0 CDAERP C[C@H]1CC[C@@H](C(=O)NCC2CC[NH+](C)CC2)C[C@@H]1[NH3+] ZINC000055140163 524333338 /nfs/dbraw/zinc/33/33/38/524333338.db2.gz WVLXAWMHSXJFGC-YUTCNCBUSA-N 2 0 267.417 1.208 10 0 CDAERP C[C@H]1CC[C@H](C)[C@H]([N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000068632492 524399991 /nfs/dbraw/zinc/39/99/91/524399991.db2.gz MKAPEQLIOLKFBQ-ZQDZILKHSA-N 2 0 281.444 1.598 10 0 CDAERP C[C@@H]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH+](C)C)C[C@@H]1[NH3+] ZINC000061656177 524554459 /nfs/dbraw/zinc/55/44/59/524554459.db2.gz XKJUTQBIHMOEBO-SYQHCUMBSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@@H]1CC[C@@H]([NH3+])C[C@@H]1C(=O)NCC(C)(C)[NH+](C)C ZINC000055141721 524601826 /nfs/dbraw/zinc/60/18/26/524601826.db2.gz SMJHTRURKWLAAA-UTUOFQBUSA-N 2 0 255.406 1.206 10 0 CDAERP COc1ccccc1[C@@H](C[NH3+])N(C)CC[NH+]1CCCC1 ZINC000063050722 524730882 /nfs/dbraw/zinc/73/08/82/524730882.db2.gz COBOUROAFYJMRD-OAHLLOKOSA-N 2 0 277.412 1.723 10 0 CDAERP C[C@@H](C[NH2+]C(C)(C)C)CN1CC[NH+](C2CC2)CC1 ZINC000052371280 524733388 /nfs/dbraw/zinc/73/33/88/524733388.db2.gz BJJHEIPSUQSOBI-ZDUSSCGKSA-N 2 0 253.434 1.791 10 0 CDAERP C[C@@H]([NH3+])[C@@H](c1cccc(F)c1)N1CC[C@H]([NH+](C)C)C1 ZINC000062964194 525006551 /nfs/dbraw/zinc/00/65/51/525006551.db2.gz DYLRBEIKJFVSBZ-UGFHNGPFSA-N 2 0 265.376 1.850 10 0 CDAERP C[C@@H]1C[C@@H](C(=O)N2CC[NH+](C3CCCC3)CC2)CC[C@@H]1[NH3+] ZINC000055132592 525185300 /nfs/dbraw/zinc/18/53/00/525185300.db2.gz LQLDPIFFCCJIGF-YCPHGPKFSA-N 2 0 293.455 1.837 10 0 CDAERP Cc1cc([C@@H](C[NH3+])N2CC[NH+](C3CC3)CC2)ccc1F ZINC000050546346 525481081 /nfs/dbraw/zinc/48/10/81/525481081.db2.gz BFHZUSODMVIVJO-MRXNPFEDSA-N 2 0 277.387 1.914 10 0 CDAERP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353532421 525808693 /nfs/dbraw/zinc/80/86/93/525808693.db2.gz WSWVYIJHLOWGIR-AHDPXTMNSA-N 2 0 254.418 1.856 10 0 CDAERP C[C@H]([C@@H](O)c1ccccc1)[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061652722 526021785 /nfs/dbraw/zinc/02/17/85/526021785.db2.gz GQEBVLOEXHDYHO-NVXWUHKLSA-N 2 0 291.439 1.288 10 0 CDAERP O=C(CC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)NC1CC1 ZINC000063200469 526483237 /nfs/dbraw/zinc/48/32/37/526483237.db2.gz CHSRUYORWYENBR-AWEZNQCLSA-N 2 0 265.401 1.119 10 0 CDAERP Cc1oc(C[NH3+])cc1CN1CC[NH+](CC2CC2)CC1 ZINC000052372471 526768574 /nfs/dbraw/zinc/76/85/74/526768574.db2.gz JDRXXMJHIIPDTF-UHFFFAOYSA-N 2 0 263.385 1.574 10 0 CDAERP Cc1oc(C[NH2+]C2CC2)cc1COCC[NH+](C)C ZINC000052669898 526774629 /nfs/dbraw/zinc/77/46/29/526774629.db2.gz CILXTCYJKJTCOZ-UHFFFAOYSA-N 2 0 252.358 1.918 10 0 CDAERP [NH3+]CC1(N2CC[C@H]([NH+]3CCCC3)C2)CCSCC1 ZINC000062978446 527162797 /nfs/dbraw/zinc/16/27/97/527162797.db2.gz VZEKADAPFWPGDC-ZDUSSCGKSA-N 2 0 269.458 1.381 10 0 CDAERP [NH3+]CCCC[NH+]1CCN(C(=O)CC[C@@H]2CCCCO2)CC1 ZINC000069383444 527175661 /nfs/dbraw/zinc/17/56/61/527175661.db2.gz OAADEYJGUXVNHI-HNNXBMFYSA-N 2 0 297.443 1.219 10 0 CDAERP [NH3+]Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H]2CCCO)cc1 ZINC000052758509 527257364 /nfs/dbraw/zinc/25/73/64/527257364.db2.gz ZJNWQBBLPBKXIK-HZPDHXFCSA-N 2 0 278.396 1.416 10 0 CDAERP [NH3+]Cc1cccc(CN2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000062972465 527258689 /nfs/dbraw/zinc/25/86/89/527258689.db2.gz FPDZDUUJZNVPNP-INIZCTEOSA-N 2 0 259.397 1.815 10 0 CDAERP [NH3+]Cc1cccc(N2CC[NH+](C3CCCC3)CC2)n1 ZINC000052063921 527259440 /nfs/dbraw/zinc/25/94/40/527259440.db2.gz LQQDPZKTCQXZKI-UHFFFAOYSA-N 2 0 260.385 1.605 10 0 CDAERP NNc1[nH+]cccc1C[N@H+](CCO)C1CCCCC1 ZINC000052720693 527287328 /nfs/dbraw/zinc/28/73/28/527287328.db2.gz MNQIPTWZKACMDR-UHFFFAOYSA-N 2 0 264.373 1.494 10 0 CDAERP [NH3+][C@@H](CC[N@@H+]1CC[C@H](O)C1)c1cccc(Cl)c1 ZINC000061712109 527331824 /nfs/dbraw/zinc/33/18/24/527331824.db2.gz FJYCSSVDLQCCOZ-STQMWFEESA-N 2 0 254.761 1.797 10 0 CDAERP Cc1nccc(N2CCC[N@H+](CCCC[NH3+])CC2)n1 ZINC000054935420 527343599 /nfs/dbraw/zinc/34/35/99/527343599.db2.gz GEBZSYUPRVJBKB-UHFFFAOYSA-N 2 0 263.389 1.036 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC000291685468 527988835 /nfs/dbraw/zinc/98/88/35/527988835.db2.gz ZSLWKQWDQRTHEM-CYBMUJFWSA-N 2 0 292.427 1.998 10 0 CDAERP CC[N@@H+]1CCCN(C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000418425597 535512594 /nfs/dbraw/zinc/51/25/94/535512594.db2.gz IKSJIUSPDQOTOY-HNNXBMFYSA-N 2 0 290.411 1.424 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H](C)N1CCCC[C@H]1C ZINC000422869754 536851015 /nfs/dbraw/zinc/85/10/15/536851015.db2.gz XXNBHYXFSGDKIK-ILXRZTDVSA-N 2 0 271.449 1.593 10 0 CDAERP Cc1nn(C)c(C)c1CC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000124270200 538512527 /nfs/dbraw/zinc/51/25/27/538512527.db2.gz DYYACOZOQZUYIE-LBPRGKRZSA-N 2 0 278.444 1.899 10 0 CDAERP C[C@@H](NC(=O)NCc1cccnc1N)C1=CC[N@H+](C)CC1 ZINC001686075985 1174696118 /nfs/dbraw/zinc/69/61/18/1174696118.db2.gz YYOSSBPRTBGFOY-LLVKDONJSA-N 2 0 289.383 1.113 10 0 CDAERP CC(C)C(=O)NCC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925510165 617409924 /nfs/dbraw/zinc/40/99/24/617409924.db2.gz SZKUCNASDNNASS-VXGBXAGGSA-N 2 0 255.406 1.254 10 0 CDAERP O=C(NCC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)C1CC1 ZINC000925510543 617411944 /nfs/dbraw/zinc/41/19/44/617411944.db2.gz WRCYVGPZNBFZSS-HUUCEWRRSA-N 2 0 279.428 1.271 10 0 CDAERP COCCCN(C)CC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925516407 617425712 /nfs/dbraw/zinc/42/57/12/617425712.db2.gz KYIAOZHJRBGDSI-UONOGXRCSA-N 2 0 271.449 1.450 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1cn(C)cn1 ZINC000926686789 617447992 /nfs/dbraw/zinc/44/79/92/617447992.db2.gz QTRSUPYNOGLCJW-KBPBESRZSA-N 2 0 281.448 1.343 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H](O)c1ccccc1 ZINC000924555510 617453454 /nfs/dbraw/zinc/45/34/54/617453454.db2.gz XMLXUGUZQQLAHQ-QGPPMGRFSA-N 2 0 260.381 1.650 10 0 CDAERP [NH3+][C@H]1C[C@H]([NH2+]CCc2cn3c(n2)CCCC3)C12CCC2 ZINC000925536509 617470280 /nfs/dbraw/zinc/47/02/80/617470280.db2.gz FIAWNSIQNZNVRB-KBPBESRZSA-N 2 0 274.412 1.621 10 0 CDAERP CC[C@@H](CCO)C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925539496 617478753 /nfs/dbraw/zinc/47/87/53/617478753.db2.gz JGOAWBGNEDZSBN-RFQIPJPRSA-N 2 0 254.418 1.761 10 0 CDAERP CN(C)c1cccc(C[NH2+]C2[C@@H]3CC[C@H]2C[N@@H+](C)C3)n1 ZINC000925626201 617573634 /nfs/dbraw/zinc/57/36/34/617573634.db2.gz LQJAUDYPIUVASU-OCZCAGDBSA-N 2 0 274.412 1.577 10 0 CDAERP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925627143 617574016 /nfs/dbraw/zinc/57/40/16/617574016.db2.gz UCYDMUMCXZZBLR-DGTMBMJNSA-N 2 0 279.428 1.267 10 0 CDAERP CCCCCC[N@H+](C)CC(=O)NCC12CC(C1)C[NH2+]2 ZINC000852865557 617990222 /nfs/dbraw/zinc/99/02/22/617990222.db2.gz HSFUGHSJEGTBQA-UHFFFAOYSA-N 2 0 267.417 1.367 10 0 CDAERP CC(C)[C@@H](CO)C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925674638 617633948 /nfs/dbraw/zinc/63/39/48/617633948.db2.gz SWTCHJBRVHYHLR-MQYQWHSLSA-N 2 0 254.418 1.617 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](O)c2c(F)cccc2F)C12CCC2 ZINC000925773531 617653615 /nfs/dbraw/zinc/65/36/15/617653615.db2.gz ZHUQDADAMBVXBH-XQQFMLRXSA-N 2 0 282.334 1.858 10 0 CDAERP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)C(C)(C)n1cncn1 ZINC000925775973 617668845 /nfs/dbraw/zinc/66/88/45/617668845.db2.gz IUVIPAZWGWZXRS-GHMZBOCLSA-N 2 0 287.358 1.236 10 0 CDAERP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)C(C)(C)n1cncn1 ZINC000925775974 617669102 /nfs/dbraw/zinc/66/91/02/617669102.db2.gz IUVIPAZWGWZXRS-MNOVXSKESA-N 2 0 287.358 1.236 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCC[C@H](CO)C1 ZINC000925689735 617689088 /nfs/dbraw/zinc/68/90/88/617689088.db2.gz IFZKSERYOIWKLO-OZSWZGQBSA-N 2 0 252.402 1.643 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000925808574 617749531 /nfs/dbraw/zinc/74/95/31/617749531.db2.gz YWPUUHKRTURLTB-OSUNSFLBSA-N 2 0 296.333 1.438 10 0 CDAERP CC1(C)[C@@H](NC[C@@H]2C[C@H](F)C[NH2+]2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925708826 617799466 /nfs/dbraw/zinc/79/94/66/617799466.db2.gz NZKHZTPRWKAREV-WJTVCTBASA-N 2 0 255.381 1.053 10 0 CDAERP FC(F)(F)[C@@H]1C[C@H]1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000925834618 617862857 /nfs/dbraw/zinc/86/28/57/617862857.db2.gz ZWNXAVLKCXVCNY-IEECTRCBSA-N 2 0 292.345 1.932 10 0 CDAERP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925840328 617871493 /nfs/dbraw/zinc/87/14/93/617871493.db2.gz VDKYIHLDQHEIKC-UYJHQMFVSA-N 3 0 263.429 1.496 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)[C@@H]1CCCOC1 ZINC000925859652 617898889 /nfs/dbraw/zinc/89/88/89/617898889.db2.gz XISSCCUNWXMWCA-MJBXVCDLSA-N 2 0 296.411 1.076 10 0 CDAERP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccns1 ZINC000924964739 618468391 /nfs/dbraw/zinc/46/83/91/618468391.db2.gz CLDIKTSCBVVOEF-ZDUSSCGKSA-N 2 0 282.457 1.821 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](O)c1cccc(C)c1 ZINC000817909973 618487423 /nfs/dbraw/zinc/48/74/23/618487423.db2.gz FUMXTDRIRBWWMJ-CABCVRRESA-N 2 0 266.385 1.372 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCOC12CCCCC2 ZINC000924989828 618550927 /nfs/dbraw/zinc/55/09/27/618550927.db2.gz DSBHPBNWNDPQLQ-CVEARBPZSA-N 2 0 295.471 1.704 10 0 CDAERP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000925021818 618792056 /nfs/dbraw/zinc/79/20/56/618792056.db2.gz BWRNTGXIQISPPP-QXSJWSMHSA-N 2 0 284.444 1.484 10 0 CDAERP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccnnc1 ZINC000925042467 618826797 /nfs/dbraw/zinc/82/67/97/618826797.db2.gz VAZALKMRHYAYRV-UKRRQHHQSA-N 2 0 289.427 1.296 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC000928437495 619079598 /nfs/dbraw/zinc/07/95/98/619079598.db2.gz WXOFFTFMUGFMGG-GXTWGEPZSA-N 2 0 267.417 1.316 10 0 CDAERP c1ncc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)[nH]1 ZINC000895227766 619470327 /nfs/dbraw/zinc/47/03/27/619470327.db2.gz ZUDRNEIDZJHGRG-UHFFFAOYSA-N 2 0 278.400 1.390 10 0 CDAERP CO[C@H]1C[C@H](C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000895540032 619720139 /nfs/dbraw/zinc/72/01/39/619720139.db2.gz QKDXHLSYKUJHEU-MQMHXKEQSA-N 2 0 270.417 1.236 10 0 CDAERP C[NH+](C)CCOc1ccc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)cc1 ZINC000895647359 619774407 /nfs/dbraw/zinc/77/44/07/619774407.db2.gz KPPPTQLCYJXZNK-HOCLYGCPSA-N 2 0 276.380 1.194 10 0 CDAERP CC(C)[N@@H+]1CCCN(C(=O)N[C@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000925319507 621198584 /nfs/dbraw/zinc/19/85/84/621198584.db2.gz CGIPYMSFTXPEOF-KGLIPLIRSA-N 2 0 282.432 1.205 10 0 CDAERP C1CC1[C@H]1COC[C@H]1[NH2+]C1CCN(C2CC2)CC1 ZINC000898380746 621529923 /nfs/dbraw/zinc/52/99/23/621529923.db2.gz UQXYVVGVRDNBLY-HUUCEWRRSA-N 2 0 250.386 1.628 10 0 CDAERP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000925333198 621579885 /nfs/dbraw/zinc/57/98/85/621579885.db2.gz UQKNJZKOQZOVPD-GUTXKFCHSA-N 2 0 296.459 1.451 10 0 CDAERP CCN1CC[NH+](C[C@@H](C)CNC(=[NH2+])N[C@H](C)C2CC2)CC1 ZINC000899264280 622128054 /nfs/dbraw/zinc/12/80/54/622128054.db2.gz AEEFKQFKKREGFE-UONOGXRCSA-N 2 0 295.475 1.172 10 0 CDAERP C[C@H](NC(=[NH2+])NCC[N@@H+]1CCCC1(C)C)C1CC1 ZINC000899273150 622138423 /nfs/dbraw/zinc/13/84/23/622138423.db2.gz XOVWTQQDQPOBCN-NSHDSACASA-N 2 0 252.406 1.773 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(CO)c(F)c1 ZINC000924760698 622340937 /nfs/dbraw/zinc/34/09/37/622340937.db2.gz JKPIEXNUIJYMMN-OCZCAGDBSA-N 2 0 278.371 1.748 10 0 CDAERP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000900010515 622634141 /nfs/dbraw/zinc/63/41/41/622634141.db2.gz ZVQCJIXRDAZVEU-KBPBESRZSA-N 2 0 281.444 1.707 10 0 CDAERP C[N@H+]1CC=C(C[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)CC1 ZINC000902896241 625591338 /nfs/dbraw/zinc/59/13/38/625591338.db2.gz ISNUSMRIGQVFFO-AALSBFMBSA-N 2 0 262.397 1.651 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902952495 625687635 /nfs/dbraw/zinc/68/76/35/625687635.db2.gz YTEPOYGVJZQVIV-FIDHJVLJSA-N 2 0 296.455 1.748 10 0 CDAERP C1C[C@@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)[C@H]([C@H]2CCCC[NH2+]2)C1 ZINC000902463052 624854885 /nfs/dbraw/zinc/85/48/85/624854885.db2.gz ZDCZOMJCNJBBJV-KPRKPIBOSA-N 2 0 263.429 1.780 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C)[C@H]2C)[C@@H](C)C1 ZINC000903301876 625960971 /nfs/dbraw/zinc/96/09/71/625960971.db2.gz WLXYXDKSNQRFEX-LUKYLMHMSA-N 2 0 297.487 1.806 10 0 CDAERP C[C@H]1[C@H](NC2CC[NH+](C(C)(C)C)CC2)CC[N@@H+]1C ZINC000903302178 625961087 /nfs/dbraw/zinc/96/10/87/625961087.db2.gz ZJLRROQYUTYRTK-GXTWGEPZSA-N 2 0 253.434 1.932 10 0 CDAERP CO[C@@]1(C)C[C@@H]([N@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)C1(C)C ZINC000903441365 625992855 /nfs/dbraw/zinc/99/28/55/625992855.db2.gz PDBXKYDFAGUNDR-COMQUAJESA-N 2 0 254.418 1.977 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000903458634 625994345 /nfs/dbraw/zinc/99/43/45/625994345.db2.gz FXZMZUDGHGGSHJ-BVUBDWEXSA-N 3 0 281.444 1.060 10 0 CDAERP COCC(C)(C)N1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903459229 625994731 /nfs/dbraw/zinc/99/47/31/625994731.db2.gz FEGCEMGAPRKJFE-KGLIPLIRSA-N 2 0 269.433 1.156 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000903442094 625997082 /nfs/dbraw/zinc/99/70/82/625997082.db2.gz JPYIBZCEKCXJMD-ILXRZTDVSA-N 2 0 251.418 1.402 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000903453097 626001299 /nfs/dbraw/zinc/00/12/99/626001299.db2.gz ZCVBYPKFKNOMQY-INWMFGNUSA-N 2 0 277.387 1.628 10 0 CDAERP CO[C@@H]1CC[C@@H]2OCCN(C[C@@H]3C[NH2+]C[C@H]3C)[C@@H]2C1 ZINC000903456286 626002107 /nfs/dbraw/zinc/00/21/07/626002107.db2.gz FSVITCYNOJDQSU-KHMAMNHCSA-N 2 0 268.401 1.110 10 0 CDAERP C(C[NH2+][C@H]1CC[NH2+]C12CCCC2)COC[C@@H]1CCCO1 ZINC000903483513 626007151 /nfs/dbraw/zinc/00/71/51/626007151.db2.gz IIKXLOZALTZJHL-GJZGRUSLSA-N 2 0 282.428 1.836 10 0 CDAERP COC(=O)c1ccccc1C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903498742 626008583 /nfs/dbraw/zinc/00/85/83/626008583.db2.gz CPJWDIDWBDIDRR-CHWSQXEVSA-N 2 0 276.380 1.890 10 0 CDAERP C[NH2+]C[C@@](C)(O)CN1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000903490806 626010565 /nfs/dbraw/zinc/01/05/65/626010565.db2.gz IVXOAGKBFWDMHV-ZJUUUORDSA-N 2 0 284.297 1.323 10 0 CDAERP FC1(F)C[C@@]2(CC[N@H+](C[C@@H]3CC[NH2+]C3)C2)C1(F)F ZINC000903490658 626010571 /nfs/dbraw/zinc/01/05/71/626010571.db2.gz BYZPBPCZOJYQRM-NXEZZACHSA-N 2 0 266.282 1.962 10 0 CDAERP Cc1ccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1F ZINC000903494941 626011699 /nfs/dbraw/zinc/01/16/99/626011699.db2.gz RNNVTRPMOZOPSP-CHWSQXEVSA-N 2 0 293.386 1.989 10 0 CDAERP CC(C)c1nnc2n1CCN(C[C@@H]1CC[C@H]([NH3+])C1)[C@@H]2C ZINC000903577488 626030027 /nfs/dbraw/zinc/03/00/27/626030027.db2.gz NBWUUDVRDGKSDU-UPJWGTAASA-N 2 0 277.416 1.906 10 0 CDAERP OCC[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCC1 ZINC000903872493 626126871 /nfs/dbraw/zinc/12/68/71/626126871.db2.gz FQGSXQNYXOZOBG-AGUYFDCRSA-N 2 0 252.402 1.754 10 0 CDAERP [NH3+][C@H](CC(F)F)CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000903874151 626127676 /nfs/dbraw/zinc/12/76/76/626127676.db2.gz TXBHVCSPSKZTHN-UTUOFQBUSA-N 2 0 261.360 1.433 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[NH+]2C[C@H](C)[C@@H](C)C2)cnn1C ZINC000903896597 626136621 /nfs/dbraw/zinc/13/66/21/626136621.db2.gz VSSFVGGWCSAETK-SGMGOOAPSA-N 2 0 264.417 1.434 10 0 CDAERP CCCCC[N@@H+](CC(N)=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903903083 626139807 /nfs/dbraw/zinc/13/98/07/626139807.db2.gz RMXYWPIGTKPPOH-AGUYFDCRSA-N 2 0 267.417 1.495 10 0 CDAERP O=C1CCCN1[C@@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903913463 626145607 /nfs/dbraw/zinc/14/56/07/626145607.db2.gz CMIUNYZNEWNNLD-JALIKCBVSA-N 2 0 277.412 1.214 10 0 CDAERP [NH3+]CCC[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000903939261 626148053 /nfs/dbraw/zinc/14/80/53/626148053.db2.gz DXXJQQZOKIRUSL-LLVKDONJSA-N 2 0 273.174 1.421 10 0 CDAERP COC(=O)C1(C[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903927131 626149039 /nfs/dbraw/zinc/14/90/39/626149039.db2.gz QJYFYZPUTNLINL-YOGCLGLASA-N 2 0 252.358 1.060 10 0 CDAERP C[C@@H]1CN(C[C@H]([NH3+])CC(F)F)CCN1c1cc[nH+]cc1 ZINC000903937772 626155936 /nfs/dbraw/zinc/15/59/36/626155936.db2.gz QZJGFDOGNBHZEL-VXGBXAGGSA-N 2 0 284.354 1.575 10 0 CDAERP [NH3+]CCN(CCc1ccccc1)C[C@H]([NH3+])CC(F)F ZINC000903918193 626157678 /nfs/dbraw/zinc/15/76/78/626157678.db2.gz UUCWHGVWFBDYSW-CYBMUJFWSA-N 2 0 271.355 1.472 10 0 CDAERP Nc1cc[nH+]c(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000903953836 626165896 /nfs/dbraw/zinc/16/58/96/626165896.db2.gz KUDSQQIZTAUBEI-RBSFLKMASA-N 2 0 260.385 1.674 10 0 CDAERP COc1cc(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cc(OC)c1O ZINC000903978968 626170299 /nfs/dbraw/zinc/17/02/99/626170299.db2.gz QINNDNTXZZXBJK-DGCLKSJQSA-N 2 0 294.395 1.745 10 0 CDAERP C[NH+](C)Cc1ccc(-c2noc([C@@H]3C[C@@H]3C[NH3+])n2)cc1 ZINC000904081854 626188345 /nfs/dbraw/zinc/18/83/45/626188345.db2.gz WDWCCEGBUABRHT-CHWSQXEVSA-N 2 0 272.352 1.860 10 0 CDAERP [NH2+]=C(NC[C@@H]1CCCS1)NCC1CC[NH+](C2CC2)CC1 ZINC000905046741 626384896 /nfs/dbraw/zinc/38/48/96/626384896.db2.gz JAAZXNUTPBDNQP-AWEZNQCLSA-N 2 0 296.484 1.870 10 0 CDAERP C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)[C@@H]2C1 ZINC000911301743 629231058 /nfs/dbraw/zinc/23/10/58/629231058.db2.gz FBUFVKVNEPRXAU-ZJIFWQFVSA-N 2 0 291.439 1.556 10 0 CDAERP C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)[C@H]1CCC[N@@H+]1C ZINC000912649167 630126328 /nfs/dbraw/zinc/12/63/28/630126328.db2.gz PRUDPIBLKIVYSF-QLFBSQMISA-N 2 0 281.444 1.802 10 0 CDAERP C[NH+]1C[C@@]2(C)CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC000913270185 630425505 /nfs/dbraw/zinc/42/55/05/630425505.db2.gz SWORNOPEFZFWNM-HOTGVXAUSA-N 2 0 279.428 1.128 10 0 CDAERP C[N@H+](C[C@@H]1CCC2(COC2)O1)C[C@@H]1CCC[NH+](C)C1 ZINC000929699089 630709115 /nfs/dbraw/zinc/70/91/15/630709115.db2.gz DYYWBUBWCNVCLH-KGLIPLIRSA-N 2 0 268.401 1.208 10 0 CDAERP CC(C)[C@H]1CN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC[N@@H+]1C ZINC000913761633 630746863 /nfs/dbraw/zinc/74/68/63/630746863.db2.gz ULCFQIXAAXWKGH-BZUAXINKSA-N 2 0 293.455 1.802 10 0 CDAERP CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000913990453 630942371 /nfs/dbraw/zinc/94/23/71/630942371.db2.gz MAQSVUXQBNQMRO-HIFRSBDPSA-N 2 0 296.459 1.499 10 0 CDAERP CC[C@H]1C[N@H+](C)CCN1C(=O)C1CC[NH+](CC(C)C)CC1 ZINC001417878183 1158793821 /nfs/dbraw/zinc/79/38/21/1158793821.db2.gz HTMYNADSNZNCDU-INIZCTEOSA-N 2 0 295.471 1.907 10 0 CDAERP CC(C)CC[NH2+]CCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001691359968 1159034495 /nfs/dbraw/zinc/03/44/95/1159034495.db2.gz JSNDGNFIFUPUJW-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CCCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001698823854 1159055920 /nfs/dbraw/zinc/05/59/20/1159055920.db2.gz KUOSLXRPSIGJRR-RBSFLKMASA-N 2 0 283.460 1.953 10 0 CDAERP CN(CC[NH2+]CCOC1CCC1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001691364478 1159037995 /nfs/dbraw/zinc/03/79/95/1159037995.db2.gz BGSPKPFTBZXDLA-OAHLLOKOSA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C[NH2+]C(C)C)C1CC1)[NH+](C)C ZINC001269083491 1160029198 /nfs/dbraw/zinc/02/91/98/1160029198.db2.gz DTNGOORAAAUSRB-QWHCGFSZSA-N 2 0 255.406 1.219 10 0 CDAERP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000468086181 1164337649 /nfs/dbraw/zinc/33/76/49/1164337649.db2.gz FKBYHGKALRUDLV-WCVJEAGWSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)(O)C[N@@H+]1CC[C@H](NC2CC[NH+](CC3CC3)CC2)C1 ZINC000866415220 1164779585 /nfs/dbraw/zinc/77/95/85/1164779585.db2.gz XTXPILANFPFNOX-INIZCTEOSA-N 2 0 295.471 1.296 10 0 CDAERP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1c2ccccc2[C@@H]([NH3+])C1(C)C ZINC000867988982 1164893995 /nfs/dbraw/zinc/89/39/95/1164893995.db2.gz YUBXZLIQXQDTNV-COPLHBTASA-N 2 0 273.380 1.810 10 0 CDAERP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+]2CC)C1 ZINC001620492642 1165654713 /nfs/dbraw/zinc/65/47/13/1165654713.db2.gz VUDSIHZWQPTQQN-KGLIPLIRSA-N 2 0 267.417 1.271 10 0 CDAERP CCC[N@H+](C)CCCNC(=O)C[NH+](C)C1CCC1 ZINC001566462247 1168285575 /nfs/dbraw/zinc/28/55/75/1168285575.db2.gz QSGQRAGMKLBCLW-UHFFFAOYSA-N 2 0 255.406 1.319 10 0 CDAERP COCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001566536106 1168323321 /nfs/dbraw/zinc/32/33/21/1168323321.db2.gz ZYLCPGVHJTXAKA-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC001587298204 1168453655 /nfs/dbraw/zinc/45/36/55/1168453655.db2.gz JHSZPKZTUJJLFT-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CCCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001567021019 1168514853 /nfs/dbraw/zinc/51/48/53/1168514853.db2.gz DRPJQIYGHYUQMH-KGLIPLIRSA-N 2 0 269.433 1.755 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)N2CC[NH+](C(C)(C)C)CC2)C[NH2+]1 ZINC001647321490 1168557996 /nfs/dbraw/zinc/55/79/96/1168557996.db2.gz SWFDVUGNGDXFPO-CHWSQXEVSA-N 2 0 282.432 1.253 10 0 CDAERP CN(CC[NH2+]CC1CCC1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001567516169 1168825492 /nfs/dbraw/zinc/82/54/92/1168825492.db2.gz KMPNDGHBUBOASI-CVEARBPZSA-N 2 0 293.455 1.851 10 0 CDAERP C=C/C=C/CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001648764600 1169158026 /nfs/dbraw/zinc/15/80/26/1169158026.db2.gz SUXBXXIEJZHBHP-FHFZEBMASA-N 2 0 279.428 1.317 10 0 CDAERP C[C@H]1CC[C@H](NC(=O)N2CCCC3(CC[NH2+]CC3)C2)C[NH2+]1 ZINC001649926291 1169503866 /nfs/dbraw/zinc/50/38/66/1169503866.db2.gz NMHJECFOIRSAKB-KBPBESRZSA-N 2 0 294.443 1.302 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001569403970 1169860767 /nfs/dbraw/zinc/86/07/67/1169860767.db2.gz ZTJQLRCQHLTGSM-UHFFFAOYSA-N 2 0 267.417 1.509 10 0 CDAERP CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001570539850 1170183266 /nfs/dbraw/zinc/18/32/66/1170183266.db2.gz HADPHXREQKNBJV-AWEZNQCLSA-N 2 0 269.433 1.661 10 0 CDAERP CC[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001570633575 1170217193 /nfs/dbraw/zinc/21/71/93/1170217193.db2.gz INWJPISJNKEGTA-VXGBXAGGSA-N 2 0 257.422 1.467 10 0 CDAERP CC/C=C\CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001661267242 1172360203 /nfs/dbraw/zinc/36/02/03/1172360203.db2.gz LKCSNHMDTAZSPB-HNXFAEETSA-N 2 0 293.455 1.970 10 0 CDAERP CC[NH2+][C@@H](CC)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001665803616 1173064332 /nfs/dbraw/zinc/06/43/32/1173064332.db2.gz AIDAVMOFDGAWFX-QWHCGFSZSA-N 2 0 255.406 1.365 10 0 CDAERP CCN(CC[NH2+]Cc1ccccc1)C(=O)C[N@H+](C)C(C)C ZINC001668652993 1173436398 /nfs/dbraw/zinc/43/63/98/1173436398.db2.gz YPRLUPZPYOANKI-UHFFFAOYSA-N 2 0 291.439 1.965 10 0 CDAERP CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001671737052 1173708318 /nfs/dbraw/zinc/70/83/18/1173708318.db2.gz WOZMBEDOFPFSJS-DOTOQJQBSA-N 2 0 293.455 1.566 10 0 CDAERP C[C@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]CC1CCC1 ZINC001674721561 1173997749 /nfs/dbraw/zinc/99/77/49/1173997749.db2.gz IQAAJEKDHHOSFS-STQMWFEESA-N 2 0 269.433 1.611 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]C(C)C)C1)[NH+](C)C ZINC001675759348 1174145670 /nfs/dbraw/zinc/14/56/70/1174145670.db2.gz IREMARWKNCZCDR-JHJVBQTASA-N 2 0 255.406 1.219 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H](C[NH2+]C/C=C\Cl)C2)CC1 ZINC001675781999 1174147714 /nfs/dbraw/zinc/14/77/14/1174147714.db2.gz OCXUKIPZIIIFHC-RAFPVLMKSA-N 2 0 299.846 1.565 10 0 CDAERP CCCC[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001675827230 1174152100 /nfs/dbraw/zinc/15/21/00/1174152100.db2.gz FDXGXFZOZSAWBK-HDJSIYSDSA-N 2 0 267.417 1.367 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001676970881 1174302311 /nfs/dbraw/zinc/30/23/11/1174302311.db2.gz RSUKICWTFFBXRR-UONOGXRCSA-N 2 0 269.433 1.613 10 0 CDAERP CN(C(=O)CC[C@H]1CCC[N@@H+]1C)C1CC([NH2+]CCCF)C1 ZINC001677403825 1174357666 /nfs/dbraw/zinc/35/76/66/1174357666.db2.gz SZMPUFBFWPCIDG-SHARSMKWSA-N 2 0 299.434 1.799 10 0 CDAERP CC(C)=CC[NH2+]C1CC(N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001677448352 1174362218 /nfs/dbraw/zinc/36/22/18/1174362218.db2.gz FXIBMZIAINJFTA-UHFFFAOYSA-N 2 0 281.444 1.872 10 0 CDAERP CC/C=C\CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001690879354 1175597200 /nfs/dbraw/zinc/59/72/00/1175597200.db2.gz GFSWLKWMFXVLKN-JBZXTQMFSA-N 2 0 281.444 1.779 10 0 CDAERP CC[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CCCF ZINC001698604843 1175868886 /nfs/dbraw/zinc/86/88/86/1175868886.db2.gz NCDKSFXFCLUBFM-AWEZNQCLSA-N 2 0 299.434 1.706 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC(CC[NH2+]CCF)CC2)C1 ZINC001698702181 1175897443 /nfs/dbraw/zinc/89/74/43/1175897443.db2.gz HNRPXYQCPVZKKJ-CQSZACIVSA-N 2 0 285.407 1.126 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001698767504 1175925121 /nfs/dbraw/zinc/92/51/21/1175925121.db2.gz GXYWSPCKTRZVLW-CABCVRRESA-N 2 0 283.460 1.716 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001698844582 1175960213 /nfs/dbraw/zinc/96/02/13/1175960213.db2.gz DSQXMLSBIFKQGF-LSDHHAIUSA-N 2 0 283.460 1.811 10 0 CDAERP CCCCC[NH2+]C[C@@H](C)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001698858901 1175966119 /nfs/dbraw/zinc/96/61/19/1175966119.db2.gz WPFGUNSLJLNJIT-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP CC/C=C/CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001698858825 1175966151 /nfs/dbraw/zinc/96/61/51/1175966151.db2.gz FMVIYRUDCAFGNE-MFHOCJEASA-N 2 0 281.444 1.731 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)CC[NH2+]CCF)C1 ZINC001699129723 1176105270 /nfs/dbraw/zinc/10/52/70/1176105270.db2.gz IYWNLLAZYKQAQI-UONOGXRCSA-N 2 0 287.423 1.562 10 0 CDAERP C[C@@H](C[NH2+]CCF)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001699417161 1176381812 /nfs/dbraw/zinc/38/18/12/1176381812.db2.gz ZYAVZQKXSXUTOR-ZFWWWQNUSA-N 2 0 299.434 1.847 10 0 CDAERP CCC[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001699554533 1176473295 /nfs/dbraw/zinc/47/32/95/1176473295.db2.gz SKYMAOCXYXMYMY-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001699575874 1176480598 /nfs/dbraw/zinc/48/05/98/1176480598.db2.gz JPFQESDOBQLULN-UONOGXRCSA-N 2 0 267.417 1.364 10 0 CDAERP CCCC[C@@H](C[NH2+]CCF)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001700520838 1176993117 /nfs/dbraw/zinc/99/31/17/1176993117.db2.gz AVKVDLHBXIJKSY-OLZOCXBDSA-N 2 0 273.396 1.172 10 0 CDAERP CCCCCC[NH2+][C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001713172680 1178412460 /nfs/dbraw/zinc/41/24/60/1178412460.db2.gz BPRCWXYTTVCHMX-SHTZXODSSA-N 2 0 293.455 1.899 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H](C[NH2+]CC2CC2)C1 ZINC001713238592 1178437754 /nfs/dbraw/zinc/43/77/54/1178437754.db2.gz ITFDQYYDJIXTAT-CQSZACIVSA-N 2 0 267.417 1.176 10 0 CDAERP CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001713363218 1178521537 /nfs/dbraw/zinc/52/15/37/1178521537.db2.gz OZIKISDJURXEFV-SWJNODNISA-N 2 0 293.455 1.733 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC(C)C ZINC001713598273 1178674746 /nfs/dbraw/zinc/67/47/46/1178674746.db2.gz PPSWZSHBJBFCPE-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]CC2CC(C)(C)C2)C1 ZINC001713634222 1178689919 /nfs/dbraw/zinc/68/99/19/1178689919.db2.gz LRAQXSTUPDWCSF-CQSZACIVSA-N 2 0 295.471 1.812 10 0 CDAERP CCOCC[NH2+][C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001713924371 1178851333 /nfs/dbraw/zinc/85/13/33/1178851333.db2.gz NNPYQZJWBREQIK-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)OCC[NH2+][C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001714279755 1179062545 /nfs/dbraw/zinc/06/25/45/1179062545.db2.gz YGPHGIJPLJXVMC-AWEZNQCLSA-N 2 0 299.459 1.238 10 0 CDAERP C[C@H](C[NH2+]C/C=C\Cl)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001714677752 1179318446 /nfs/dbraw/zinc/31/84/46/1179318446.db2.gz YASHHXJKVXUPGM-DMTLFAOVSA-N 2 0 299.846 1.804 10 0 CDAERP CCC[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001714720805 1179356791 /nfs/dbraw/zinc/35/67/91/1179356791.db2.gz YDQXSBAPBBYEPY-CYBMUJFWSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCF ZINC001714726454 1179361449 /nfs/dbraw/zinc/36/14/49/1179361449.db2.gz ACVHNSCKNQIUIY-ZDUSSCGKSA-N 2 0 273.396 1.124 10 0 CDAERP CC[C@@H](C)C[NH2+]CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001714773114 1179390185 /nfs/dbraw/zinc/39/01/85/1179390185.db2.gz QSXIVCZAUZYGMP-CQSZACIVSA-N 2 0 283.460 1.812 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)CC[NH2+]CC1CCCCC1 ZINC001714789381 1179399009 /nfs/dbraw/zinc/39/90/09/1179399009.db2.gz ZZCISZHUITVEND-UHFFFAOYSA-N 2 0 283.460 1.957 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](CCO)C(C)C ZINC001714831849 1179414647 /nfs/dbraw/zinc/41/46/47/1179414647.db2.gz GIQFTAWSQMATGC-HNNXBMFYSA-N 2 0 299.459 1.070 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC1CN(CCCCCF)C1 ZINC001714955097 1179475642 /nfs/dbraw/zinc/47/56/42/1179475642.db2.gz SDMAKFGQFCMWFU-HNNXBMFYSA-N 2 0 299.434 1.801 10 0 CDAERP CCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001715094694 1179548349 /nfs/dbraw/zinc/54/83/49/1179548349.db2.gz QDBIUROGDXLGFV-KGLIPLIRSA-N 2 0 269.433 1.563 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NC1(C[NH2+]CCCF)CCCC1 ZINC001715093055 1179549756 /nfs/dbraw/zinc/54/97/56/1179549756.db2.gz XNBWXCVSIFKHDY-ZDUSSCGKSA-N 2 0 285.407 1.459 10 0 CDAERP C[NH+](C)CCCC(=O)N1CCCC[C@@H]1CC[NH2+]CCF ZINC001715215863 1179580080 /nfs/dbraw/zinc/58/00/80/1179580080.db2.gz UVGAFEGPYDPIMG-CQSZACIVSA-N 2 0 287.423 1.659 10 0 CDAERP CCCC[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001715743765 1179787615 /nfs/dbraw/zinc/78/76/15/1179787615.db2.gz PNSUQLDBEUBDCE-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP CC[NH2+]C/C=C\CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001715880613 1179894213 /nfs/dbraw/zinc/89/42/13/1179894213.db2.gz YQWUDBWMAQXMNR-AFNCTOJWSA-N 2 0 267.417 1.533 10 0 CDAERP CC(C)C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001715991645 1179969244 /nfs/dbraw/zinc/96/92/44/1179969244.db2.gz QKQGCDSIFOWARX-IHRRRGAJSA-N 2 0 269.433 1.467 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C)CC[NH2+]CC=C(C)C)[NH+](C)C ZINC001716187869 1180088721 /nfs/dbraw/zinc/08/87/21/1180088721.db2.gz SFSHDJSZHYIMPL-KGLIPLIRSA-N 2 0 269.433 1.777 10 0 CDAERP COC[C@H](C)[NH2+]C/C=C/CNC(=O)C[NH+]1CCC(C)CC1 ZINC001716357538 1180166555 /nfs/dbraw/zinc/16/65/55/1180166555.db2.gz PWQBOVWGAFESEW-RGDDUWESSA-N 2 0 297.443 1.015 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC/C=C\C[NH2+]CC2CCC2)C1 ZINC001716368344 1180170652 /nfs/dbraw/zinc/17/06/52/1180170652.db2.gz QAFNSHPGIKFKDI-MPNWYJEXSA-N 2 0 279.428 1.390 10 0 CDAERP C[C@H](C[NH2+]CCOC1CCC1)NC(=O)C1([NH+](C)C)CCC1 ZINC001716399650 1180186354 /nfs/dbraw/zinc/18/63/54/1180186354.db2.gz PDFLHUMBZZRAIO-CYBMUJFWSA-N 2 0 297.443 1.134 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001716419576 1180196260 /nfs/dbraw/zinc/19/62/60/1180196260.db2.gz JWBBIUVNLLBUBM-CHWSQXEVSA-N 2 0 255.406 1.079 10 0 CDAERP Cc1cc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCC[N@@H+]2C)no1 ZINC001716532909 1180272531 /nfs/dbraw/zinc/27/25/31/1180272531.db2.gz ZEQOIDHYMFBOLY-AWEZNQCLSA-N 2 0 294.399 1.015 10 0 CDAERP CC[C@@H](C)C[NH2+]CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001716579792 1180293249 /nfs/dbraw/zinc/29/32/49/1180293249.db2.gz ZSDYAYWZJJSJIZ-CQSZACIVSA-N 2 0 281.444 1.566 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001716789744 1180415969 /nfs/dbraw/zinc/41/59/69/1180415969.db2.gz DGYVYIJZYSGKAZ-ZDUSSCGKSA-N 2 0 253.390 1.073 10 0 CDAERP O=C(C[NH+]1CCCC1)NC1CC(C[NH2+]CCC2CC2)C1 ZINC001717392567 1180644568 /nfs/dbraw/zinc/64/45/68/1180644568.db2.gz IHHJIXFPXNFUKZ-UHFFFAOYSA-N 2 0 279.428 1.367 10 0 CDAERP Cn1cncc1CC(=O)NC1CC(C[NH2+]C/C=C/Cl)C1 ZINC001717393637 1180644646 /nfs/dbraw/zinc/64/46/46/1180644646.db2.gz GMYBNKXIRPKDQP-NSCUHMNNSA-N 2 0 296.802 1.200 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001717424765 1180664557 /nfs/dbraw/zinc/66/45/57/1180664557.db2.gz KDHWOWCFKZHISN-UONOGXRCSA-N 2 0 269.433 1.777 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001717424764 1180665265 /nfs/dbraw/zinc/66/52/65/1180665265.db2.gz KDHWOWCFKZHISN-KGLIPLIRSA-N 2 0 269.433 1.777 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CC(C)C ZINC001717435429 1180671370 /nfs/dbraw/zinc/67/13/70/1180671370.db2.gz RKBVUHPKCDZFLO-QWHCGFSZSA-N 2 0 257.422 1.467 10 0 CDAERP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](CC2CC2)CC1(C)C ZINC001717588291 1180750537 /nfs/dbraw/zinc/75/05/37/1180750537.db2.gz XNVSOUPJLUXJND-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[NH2+]CCC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001717691816 1180792168 /nfs/dbraw/zinc/79/21/68/1180792168.db2.gz JZKCJFRTNBITEH-LSDHHAIUSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@H]1C[C@H]([NH2+]CCOC2CCC2)CN1C(=O)CC[NH+](C)C ZINC001717822405 1180880197 /nfs/dbraw/zinc/88/01/97/1180880197.db2.gz RLFWLAJSAHZTMR-KBPBESRZSA-N 2 0 297.443 1.086 10 0 CDAERP CC[C@@H](C(=O)N(C)CCC[NH2+]CC1CCOCC1)[NH+](C)C ZINC001723124079 1181519080 /nfs/dbraw/zinc/51/90/80/1181519080.db2.gz RYZSTEAYDPLSTL-HNNXBMFYSA-N 2 0 299.459 1.191 10 0 CDAERP CN(CCC[NH2+]CCCF)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001723150874 1181521871 /nfs/dbraw/zinc/52/18/71/1181521871.db2.gz WJDBFJBNENHPAX-HUUCEWRRSA-N 2 0 299.434 1.801 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CCCF)CCN1C(=O)CC[NH+](C)C ZINC001723858456 1181612874 /nfs/dbraw/zinc/61/28/74/1181612874.db2.gz GLUKOPNQOLDERM-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP CC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001723872269 1181613926 /nfs/dbraw/zinc/61/39/26/1181613926.db2.gz DOWDBKMTTMBMFY-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H](C)C1 ZINC001723878040 1181614105 /nfs/dbraw/zinc/61/41/05/1181614105.db2.gz XZRHGQFGCGXJPA-UONOGXRCSA-N 2 0 269.433 1.704 10 0 CDAERP COCC[N@H+](CC1CC[NH2+]CC1)[C@@H]1CCCSC1 ZINC000261629155 1181740573 /nfs/dbraw/zinc/74/05/73/1181740573.db2.gz CJIWILRUZUCICK-CQSZACIVSA-N 2 0 272.458 1.830 10 0 CDAERP C[C@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCCF ZINC001725494107 1182023712 /nfs/dbraw/zinc/02/37/12/1182023712.db2.gz HLFVPITWQBLVGJ-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]CCCF ZINC001725526092 1182037530 /nfs/dbraw/zinc/03/75/30/1182037530.db2.gz UVIDFOUNGLDNEJ-GFCCVEGCSA-N 2 0 261.385 1.123 10 0 CDAERP Cc1nc(CN(C)CCCNC(=O)C[NH+]2CCCC2)co1 ZINC001731282346 1182292555 /nfs/dbraw/zinc/29/25/55/1182292555.db2.gz BYRCYTWJUICOLD-UHFFFAOYSA-N 2 0 294.399 1.017 10 0 CDAERP CC[C@H](F)C[N@H+](CC)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001731322538 1182317848 /nfs/dbraw/zinc/31/78/48/1182317848.db2.gz KKXBACYQCQYWNV-AWEZNQCLSA-N 2 0 299.434 1.659 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]([NH2+]CCCCCF)C1 ZINC001731459369 1182399418 /nfs/dbraw/zinc/39/94/18/1182399418.db2.gz JJWPGWWVBRTVNV-HDJSIYSDSA-N 2 0 285.407 1.459 10 0 CDAERP CC[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001731640422 1182496023 /nfs/dbraw/zinc/49/60/23/1182496023.db2.gz NDHIPVFERABPAI-STQMWFEESA-N 2 0 255.406 1.221 10 0 CDAERP CN(CC[NH2+]CCCF)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001731910516 1182675240 /nfs/dbraw/zinc/67/52/40/1182675240.db2.gz KEXUBXYPXGVEJL-UHFFFAOYSA-N 2 0 287.423 1.659 10 0 CDAERP CC(C)[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001731987203 1182715644 /nfs/dbraw/zinc/71/56/44/1182715644.db2.gz AUACCSNZXZCJHS-CQSZACIVSA-N 2 0 269.433 1.563 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCCCCF ZINC001732146203 1182803806 /nfs/dbraw/zinc/80/38/06/1182803806.db2.gz TZMTWLAPIYEMBG-KKUMJFAQSA-N 2 0 297.418 1.506 10 0 CDAERP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C[NH2+]CCCF ZINC001732353578 1182922271 /nfs/dbraw/zinc/92/22/71/1182922271.db2.gz ANRZJKQGBLNSHH-CYBMUJFWSA-N 2 0 287.423 1.562 10 0 CDAERP CCC[NH2+]C[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001732364374 1182925754 /nfs/dbraw/zinc/92/57/54/1182925754.db2.gz BGRPKIUOUIDFIL-QWHCGFSZSA-N 2 0 255.406 1.080 10 0 CDAERP CCC[NH2+]C[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001732364375 1182926410 /nfs/dbraw/zinc/92/64/10/1182926410.db2.gz BGRPKIUOUIDFIL-STQMWFEESA-N 2 0 255.406 1.080 10 0 CDAERP COCC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001732563912 1183011957 /nfs/dbraw/zinc/01/19/57/1183011957.db2.gz WRBDGZBISCKZQS-HUUCEWRRSA-N 2 0 299.459 1.236 10 0 CDAERP CCCCC[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001732581720 1183026353 /nfs/dbraw/zinc/02/63/53/1183026353.db2.gz MIXKBZLITSNBIE-HUUCEWRRSA-N 2 0 283.460 1.907 10 0 CDAERP C[C@@H](CC[NH2+]C/C=C/Cl)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001732728765 1183101607 /nfs/dbraw/zinc/10/16/07/1183101607.db2.gz MNGJBFOCVUSKCU-OIOWFRMASA-N 2 0 287.835 1.565 10 0 CDAERP CC[C@H](F)C[NH2+]CCN(CC)C(=O)C1CC[NH+](C)CC1 ZINC001732792551 1183127187 /nfs/dbraw/zinc/12/71/87/1183127187.db2.gz ALIYXVLXUDYRGB-AWEZNQCLSA-N 2 0 287.423 1.514 10 0 CDAERP CC[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001732850100 1183157431 /nfs/dbraw/zinc/15/74/31/1183157431.db2.gz PLZRLYHUHNUDPE-XHPSBEMXSA-N 2 0 293.455 1.923 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001732971299 1183213001 /nfs/dbraw/zinc/21/30/01/1183213001.db2.gz QFJNRETXYFJLRW-UPJWGTAASA-N 2 0 257.422 1.467 10 0 CDAERP CCC[NH2+]CC1CC(NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001733957139 1183583794 /nfs/dbraw/zinc/58/37/94/1183583794.db2.gz OWLSRGWGMKUVQO-XUJLQICISA-N 2 0 279.428 1.367 10 0 CDAERP CN(CC(C)(C)C[NH2+]CCCF)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001734023473 1183616679 /nfs/dbraw/zinc/61/66/79/1183616679.db2.gz MKWDCGGBNOLVFH-ZDUSSCGKSA-N 2 0 287.423 1.372 10 0 CDAERP CC(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001734065662 1183645849 /nfs/dbraw/zinc/64/58/49/1183645849.db2.gz NWCGJSHBWHUIIQ-STQMWFEESA-N 2 0 255.406 1.031 10 0 CDAERP CCCCC[N@@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001734156679 1183678072 /nfs/dbraw/zinc/67/80/72/1183678072.db2.gz YEQSCRBAZKEHJX-GJZGRUSLSA-N 2 0 295.471 1.955 10 0 CDAERP CC[NH2+]CCC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001734248986 1183703914 /nfs/dbraw/zinc/70/39/14/1183703914.db2.gz VNYZXLFGDQKSGP-ZDUSSCGKSA-N 2 0 269.433 1.755 10 0 CDAERP CC(C)=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001734427563 1183775864 /nfs/dbraw/zinc/77/58/64/1183775864.db2.gz ZBNMABHVJZOXNC-LSDHHAIUSA-N 2 0 281.444 1.873 10 0 CDAERP CC[NH+](CC)C1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001771932186 1186964057 /nfs/dbraw/zinc/96/40/57/1186964057.db2.gz OISWJBVIERHNMB-UKRRQHHQSA-N 2 0 296.459 1.595 10 0 CDAERP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC001771934605 1186965990 /nfs/dbraw/zinc/96/59/90/1186965990.db2.gz XZRDNGRXHRWSPT-JWURUJNWSA-N 2 0 286.441 1.072 10 0 CDAERP C[NH+]1CCC(N[C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC1 ZINC000925511163 726066108 /nfs/dbraw/zinc/06/61/08/726066108.db2.gz HSQYZXDOQQDNHD-RDBSUJKOSA-N 2 0 251.418 1.447 10 0 CDAERP C(C[NH2+]C1CC1)CN1CC[NH+](CC2CCOCC2)CC1 ZINC000923323419 726261764 /nfs/dbraw/zinc/26/17/64/726261764.db2.gz UMXXJWXFPKKILE-UHFFFAOYSA-N 2 0 281.444 1.173 10 0 CDAERP OCC1(CC[NH2+][C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000926533399 726324573 /nfs/dbraw/zinc/32/45/73/726324573.db2.gz BSMMQDWGDRORQS-KBPBESRZSA-N 2 0 252.402 1.756 10 0 CDAERP CC(C)[C@H](C)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870022244 726413794 /nfs/dbraw/zinc/41/37/94/726413794.db2.gz ZVOFMVQFDJDLIK-RRFJBIMHSA-N 2 0 283.460 1.476 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C)[NH+]1CCCCC1 ZINC000227459297 726872677 /nfs/dbraw/zinc/87/26/77/726872677.db2.gz KZHNEIMUHSYZOC-BFHYXJOUSA-N 2 0 267.417 1.365 10 0 CDAERP Cn1ccc(CC[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)n1 ZINC000925640361 726921585 /nfs/dbraw/zinc/92/15/85/726921585.db2.gz RNLCYWRTCIYBAF-RDBSUJKOSA-N 2 0 262.401 1.329 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000851657916 726984252 /nfs/dbraw/zinc/98/42/52/726984252.db2.gz QMWOCLUCHQBHEN-BFHYXJOUSA-N 2 0 284.448 1.532 10 0 CDAERP Cc1c(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)cnn1C ZINC000925612292 727035281 /nfs/dbraw/zinc/03/52/81/727035281.db2.gz RBDVFTQGUMPPSW-CHWSQXEVSA-N 2 0 250.390 1.724 10 0 CDAERP COC(CC[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)OC ZINC000852107480 1164450573 /nfs/dbraw/zinc/45/05/73/1164450573.db2.gz LRNOVOGSFOUWOA-AWEZNQCLSA-N 2 0 256.390 1.413 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000870994766 726009633 /nfs/dbraw/zinc/00/96/33/726009633.db2.gz UYSNATMPRPMZMD-WFASDCNBSA-N 2 0 267.417 1.337 10 0 CDAERP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)C1CC[NH2+]CC1 ZINC000925728583 726010077 /nfs/dbraw/zinc/01/00/77/726010077.db2.gz LEDLCUKQMUSOEE-FPMFFAJLSA-N 3 0 253.434 1.870 10 0 CDAERP C[C@@H]1C[N@H+](C[C@H]2CC[C@H](C(F)(F)F)O2)C[C@H]1C[NH3+] ZINC000721443386 726012963 /nfs/dbraw/zinc/01/29/63/726012963.db2.gz AKYIEVFXEGNFMH-GWOFURMSSA-N 2 0 266.307 1.623 10 0 CDAERP COC(=O)/C=C(/C)C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000931467023 726019683 /nfs/dbraw/zinc/01/96/83/726019683.db2.gz GXBBONCXMHVREU-OWBHPGMISA-N 2 0 280.412 1.914 10 0 CDAERP [NH3+][C@H]1C[C@@H](N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C12CCC2 ZINC000925713357 726019875 /nfs/dbraw/zinc/01/98/75/726019875.db2.gz VCWFEJFJWMBZFR-WCXIOVBPSA-N 2 0 285.435 1.992 10 0 CDAERP CCC(CC)[C@H](CNC1=[NH+]CCCCN1)[NH+](C)C ZINC000849214986 726021455 /nfs/dbraw/zinc/02/14/55/726021455.db2.gz HHMLRAUOCVQMBG-ZDUSSCGKSA-N 2 0 254.422 1.682 10 0 CDAERP CCCC[C@H](C)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925855870 726022902 /nfs/dbraw/zinc/02/29/02/726022902.db2.gz OSBYGEYTMJHMPU-QWHCGFSZSA-N 2 0 268.401 1.840 10 0 CDAERP O=C(CC[NH2+]CC1CC1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000870853365 726023542 /nfs/dbraw/zinc/02/35/42/726023542.db2.gz ZADHPASKXJJBFC-LSDHHAIUSA-N 2 0 279.428 1.367 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000713036510 726024164 /nfs/dbraw/zinc/02/41/64/726024164.db2.gz ASUZNYVHJCMJKA-RDBSUJKOSA-N 2 0 283.460 1.985 10 0 CDAERP C[C@@H](CN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)[N@H+](C)C1CC1 ZINC000925496644 726029953 /nfs/dbraw/zinc/02/99/53/726029953.db2.gz ROTCPDQSMOADOS-PMOUVXMZSA-N 2 0 265.445 1.835 10 0 CDAERP O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000424022109 726031857 /nfs/dbraw/zinc/03/18/57/726031857.db2.gz CNNOBTHHSPCKLZ-FQLMCAECSA-N 2 0 277.412 1.262 10 0 CDAERP C[C@@H]1CN(CC(=O)Nc2cccnc2Cl)C[C@H]1CC[NH3+] ZINC000723890747 726057772 /nfs/dbraw/zinc/05/77/72/726057772.db2.gz HVKDKVQZNQQSTM-GHMZBOCLSA-N 2 0 296.802 1.590 10 0 CDAERP CC(C)(C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)N1CCOCC1 ZINC000925501303 726063793 /nfs/dbraw/zinc/06/37/93/726063793.db2.gz BULPSCDJJLKLCZ-UONOGXRCSA-N 2 0 283.460 1.593 10 0 CDAERP CC[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)C(=O)NC ZINC000925685214 726097397 /nfs/dbraw/zinc/09/73/97/726097397.db2.gz KXLPSURPWQWIMT-KBPBESRZSA-N 2 0 263.385 1.581 10 0 CDAERP Cc1cc(N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000398006395 726153571 /nfs/dbraw/zinc/15/35/71/726153571.db2.gz QMLSHEUSTSRQIS-UKRRQHHQSA-N 2 0 297.406 1.694 10 0 CDAERP C[C@@H](CS(C)(=O)=O)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927039858 726156102 /nfs/dbraw/zinc/15/61/02/726156102.db2.gz VRHRMIFWJPUAFU-HSBZDZAISA-N 2 0 288.457 1.416 10 0 CDAERP C[C@H](N[C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000925884048 726160224 /nfs/dbraw/zinc/16/02/24/726160224.db2.gz QPPXHOHGHGMRQW-QSPRXWTASA-N 2 0 273.424 1.776 10 0 CDAERP COC1CC[NH+](C(C)(C)CNC(=[NH2+])N[C@@H]2C[C@@H]2C)CC1 ZINC000864458073 726168708 /nfs/dbraw/zinc/16/87/08/726168708.db2.gz JCDNLHFCLZTAQJ-WCQYABFASA-N 2 0 282.432 1.398 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2nnc(C)o2)[C@@H](C)C1 ZINC000930000449 726171075 /nfs/dbraw/zinc/17/10/75/726171075.db2.gz PPTKUFOBLQYBHZ-WCQYABFASA-N 2 0 266.389 1.583 10 0 CDAERP c1cc(CCN2CCC[C@@H]3C[NH2+]CC[C@H]32)sn1 ZINC000719875129 726171354 /nfs/dbraw/zinc/17/13/54/726171354.db2.gz YAESZNYHVGQPCS-DGCLKSJQSA-N 2 0 251.399 1.760 10 0 CDAERP C[C@H](Cc1cnn(C)c1)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925694926 726171788 /nfs/dbraw/zinc/17/17/88/726171788.db2.gz VCQSLJBFTOQMFM-XBFCOCLRSA-N 2 0 264.417 1.847 10 0 CDAERP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000712996133 726185829 /nfs/dbraw/zinc/18/58/29/726185829.db2.gz LWBHUENRUOGSMC-QWHCGFSZSA-N 2 0 283.460 1.985 10 0 CDAERP CC[C@@H]([NH2+]C)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000870989306 726188619 /nfs/dbraw/zinc/18/86/19/726188619.db2.gz HHXYFKXHGWUKSA-RISCZKNCSA-N 2 0 255.406 1.208 10 0 CDAERP [NH3+]CCOCC[N@@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000863556403 726189737 /nfs/dbraw/zinc/18/97/37/726189737.db2.gz CEMPSBKVDWFXMB-HRCADAONSA-N 2 0 260.381 1.697 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)CC[N@@H+]1C ZINC000864077374 726193399 /nfs/dbraw/zinc/19/33/99/726193399.db2.gz NRFDUONQPMBXSY-XOSAIJSUSA-N 2 0 293.455 1.517 10 0 CDAERP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000713010485 726213453 /nfs/dbraw/zinc/21/34/53/726213453.db2.gz UVLLOSPPLYYZKY-CQSZACIVSA-N 2 0 283.460 1.796 10 0 CDAERP C[C@@H](CCC(F)(F)F)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925809846 726220608 /nfs/dbraw/zinc/22/06/08/726220608.db2.gz AWCXUUJCJSLPOO-JTQLQIEISA-N 2 0 267.339 1.730 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000713056351 726275339 /nfs/dbraw/zinc/27/53/39/726275339.db2.gz CXTIPGOXFXNNJZ-STQMWFEESA-N 2 0 269.433 1.454 10 0 CDAERP C([C@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000923316210 726292044 /nfs/dbraw/zinc/29/20/44/726292044.db2.gz FCYHQHSJJMLJBR-MCIONIFRSA-N 2 0 282.453 1.725 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCN(CCOC(F)F)C1 ZINC000851796902 726305388 /nfs/dbraw/zinc/30/53/88/726305388.db2.gz FRTDHZWYPPEVCD-LLVKDONJSA-N 2 0 250.333 1.889 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+][C@H](CCO)c2ccccc2)C12CCC2 ZINC000925624154 726358079 /nfs/dbraw/zinc/35/80/79/726358079.db2.gz VVZFZFZIDGOZKE-KFWWJZLASA-N 2 0 260.381 1.970 10 0 CDAERP CC[C@](C)(O)C[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880258954 726379261 /nfs/dbraw/zinc/37/92/61/726379261.db2.gz FFBPOPXVBMRWCP-HIFRSBDPSA-N 2 0 263.385 1.753 10 0 CDAERP C[C@@H]1C[N@H+](CCCN[C@H]2CC[NH2+]C23CCC3)CCCO1 ZINC000925653334 726383804 /nfs/dbraw/zinc/38/38/04/726383804.db2.gz XEZRAYGTJWJQLC-CABCVRRESA-N 2 0 281.444 1.362 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H]([NH3+])CC1CC1 ZINC000310776739 726384211 /nfs/dbraw/zinc/38/42/11/726384211.db2.gz VXVJPVFYXYSEIQ-STQMWFEESA-N 2 0 255.406 1.206 10 0 CDAERP C[N@@H+]1CC[C@H]2CN(C(=O)[C@@H]3CCCCC[C@@H]3[NH3+])CC[C@H]21 ZINC000872310654 726387476 /nfs/dbraw/zinc/38/74/76/726387476.db2.gz HXVZEKYHSCUVTA-LJISPDSOSA-N 2 0 279.428 1.447 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC000844196624 726806971 /nfs/dbraw/zinc/80/69/71/726806971.db2.gz MHZNWFMNTNNNDS-KGLIPLIRSA-N 2 0 267.417 1.367 10 0 CDAERP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)[C@@H]1CCC[NH2+]C1 ZINC000925696315 726807974 /nfs/dbraw/zinc/80/79/74/726807974.db2.gz ZEXIUOPFXMAULD-REWJHTLYSA-N 3 0 253.434 1.870 10 0 CDAERP C[C@@H]([NH2+]C1CC1)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000870990671 726811689 /nfs/dbraw/zinc/81/16/89/726811689.db2.gz AUPGQUAJOMDPFU-ABAIWWIYSA-N 2 0 267.417 1.350 10 0 CDAERP [NH3+]CCCCCC[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872148804 726848431 /nfs/dbraw/zinc/84/84/31/726848431.db2.gz HKFUNLSFLXMOJC-WDEREUQCSA-N 3 0 267.339 1.575 10 0 CDAERP c1[nH+]cn2cc(C[NH2+][C@H]3CN4C[C@@H]3CCC4)ccc12 ZINC000926565829 726860382 /nfs/dbraw/zinc/86/03/82/726860382.db2.gz CJFDXMJKXNNQCM-ZFWWWQNUSA-N 2 0 256.353 1.518 10 0 CDAERP C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)C1CCOCC1 ZINC000925845653 726886369 /nfs/dbraw/zinc/88/63/69/726886369.db2.gz ZIRYJPIMIMRHMT-BPLDGKMQSA-N 2 0 252.402 1.923 10 0 CDAERP CC1CC[NH+](CCN2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)CC1 ZINC000931311624 726890377 /nfs/dbraw/zinc/89/03/77/726890377.db2.gz OFPVDOPFIMNCMV-IRXDYDNUSA-N 2 0 279.472 1.992 10 0 CDAERP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872300193 726895458 /nfs/dbraw/zinc/89/54/58/726895458.db2.gz HUHYEGPCGVWXBQ-CXUGXGMPSA-N 2 0 285.391 1.199 10 0 CDAERP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)C1CC[NH2+]CC1 ZINC000925728589 726924761 /nfs/dbraw/zinc/92/47/61/726924761.db2.gz LEDLCUKQMUSOEE-YUTCNCBUSA-N 3 0 253.434 1.870 10 0 CDAERP O[C@@H](Cc1ccccc1)CN1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923530063 726933947 /nfs/dbraw/zinc/93/39/47/726933947.db2.gz FVBDMTAMYYTIJB-IRXDYDNUSA-N 2 0 274.408 1.808 10 0 CDAERP c1cc(NCC[N@@H+]2CCCOCC2)c(C2CC2)c[nH+]1 ZINC000872518466 726937071 /nfs/dbraw/zinc/93/70/71/726937071.db2.gz UCYMPIGSTOLBBK-UHFFFAOYSA-N 2 0 261.369 1.515 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC[N@@H+]1C ZINC000866365303 726942410 /nfs/dbraw/zinc/94/24/10/726942410.db2.gz UWLXIAAUFLQEKV-LJISPDSOSA-N 2 0 281.444 1.706 10 0 CDAERP C[C@@H]1C[C@H](C)[N@H+](CCO[C@@H]2CCOC2)C[C@@H]1C[NH3+] ZINC000724944119 726945586 /nfs/dbraw/zinc/94/55/86/726945586.db2.gz SNXKUIAHAAGYER-ZOBORPQBSA-N 2 0 256.390 1.097 10 0 CDAERP COCC[N@H+](CCc1ccns1)CC1CC[NH+](C)CC1 ZINC000931379569 726955270 /nfs/dbraw/zinc/95/52/70/726955270.db2.gz AIFZLVTYHOKYBU-UHFFFAOYSA-N 2 0 297.468 1.976 10 0 CDAERP COCC(C)(C)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000712639146 726957480 /nfs/dbraw/zinc/95/74/80/726957480.db2.gz QUDJZHIACVLWGU-NXEZZACHSA-N 2 0 268.323 1.728 10 0 CDAERP C[C@@H]1C[N@H+](CCOC2CC2)CCN1c1cc[nH+]cc1 ZINC000931684414 726968676 /nfs/dbraw/zinc/96/86/76/726968676.db2.gz QUGDZZAFKZKUTI-CYBMUJFWSA-N 2 0 261.369 1.771 10 0 CDAERP C[N@@H+](Cc1cccs1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923297585 726979419 /nfs/dbraw/zinc/97/94/19/726979419.db2.gz KNPRGQJAFZDACF-NSHDSACASA-N 2 0 252.383 1.558 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000091541807 726983865 /nfs/dbraw/zinc/98/38/65/726983865.db2.gz DRDWXUCFBUCRNH-JKSUJKDBSA-N 3 0 265.445 1.922 10 0 CDAERP CC1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)OCCCO1 ZINC000850276224 726999192 /nfs/dbraw/zinc/99/91/92/726999192.db2.gz YPUOUQBLRUPGIP-UHFFFAOYSA-N 2 0 288.351 1.510 10 0 CDAERP C[C@@H]1C[C@@H]1NC(=[NH2+])NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000864470344 727023852 /nfs/dbraw/zinc/02/38/52/727023852.db2.gz XWYIZWYGDRWGGY-OJLVUWQFSA-N 2 0 286.423 1.854 10 0 CDAERP C[C@@H](NC(=[NH2+])NCCC[NH+]1CCCCCC1)C1CC1 ZINC000080852358 727023943 /nfs/dbraw/zinc/02/39/43/727023943.db2.gz WMBJJNVIXNCBGT-CYBMUJFWSA-N 2 0 266.433 1.955 10 0 CDAERP C[C@@H]([NH2+]CCOCCC[NH3+])c1ccc(Cl)nc1 ZINC000863546656 727038936 /nfs/dbraw/zinc/03/89/36/727038936.db2.gz MJJNWPFHZWMZGC-SNVBAGLBSA-N 2 0 257.765 1.751 10 0 CDAERP COC(=O)N1CCC([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000872254042 727055273 /nfs/dbraw/zinc/05/52/73/727055273.db2.gz PXBFYUVNHNMWOP-CYBMUJFWSA-N 2 0 283.416 1.585 10 0 CDAERP C[N@H+](CCCC[NH+]1CCCCC1)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000931702335 727057535 /nfs/dbraw/zinc/05/75/35/727057535.db2.gz BAKUXGQLNAIFLQ-IKGGRYGDSA-N 2 0 296.455 1.988 10 0 CDAERP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000872307909 727085656 /nfs/dbraw/zinc/08/56/56/727085656.db2.gz OLHMVWYXBYJYFS-MELADBBJSA-N 2 0 267.417 1.624 10 0 CDAERP C[N@@H+]1CCN(C(=O)c2ccc(C[NH3+])o2)CCC1(C)C ZINC000712680046 727091376 /nfs/dbraw/zinc/09/13/76/727091376.db2.gz ZAHSODXVYLRUNP-UHFFFAOYSA-N 2 0 265.357 1.295 10 0 CDAERP C(C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)O[C@@H]1CCOC1 ZINC000724929698 727096531 /nfs/dbraw/zinc/09/65/31/727096531.db2.gz DFJGWSVKKAEKTJ-CABCVRRESA-N 2 0 268.401 1.256 10 0 CDAERP CN1C[C@@H](CC[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC1=O ZINC000925811408 727097744 /nfs/dbraw/zinc/09/77/44/727097744.db2.gz IGXXKQXSXSQXPQ-MYZSUADSSA-N 2 0 279.428 1.221 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000926151398 727103306 /nfs/dbraw/zinc/10/33/06/727103306.db2.gz UGQUOEJBDBWWAY-SJORKVTESA-N 2 0 297.487 1.951 10 0 CDAERP CC(C)[C@@H](C(=O)N1CC[N@H+](C)C(C)(C)CC1)[NH+](C)C ZINC000871153837 727144403 /nfs/dbraw/zinc/14/44/03/727144403.db2.gz NDLVOIIKIXCUAN-ZDUSSCGKSA-N 2 0 269.433 1.515 10 0 CDAERP CC1(C)C[NH2+]CC[C@@H](NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)C1 ZINC000872275241 727167336 /nfs/dbraw/zinc/16/73/36/727167336.db2.gz GTHQGRVJVZSAEA-FRRDWIJNSA-N 2 0 267.417 1.398 10 0 CDAERP c1ccc([C@H]2CC[NH2+]C[C@H]2N[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)cc1 ZINC000925708642 727195377 /nfs/dbraw/zinc/19/53/77/727195377.db2.gz CYQJALKJUIJQAG-JJLPMBJISA-N 2 0 297.446 1.718 10 0 CDAERP [NH3+]CCOCC[N@@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156305 727197312 /nfs/dbraw/zinc/19/73/12/727197312.db2.gz HMYDOSZROJVAKZ-ZBFHGGJFSA-N 3 0 283.460 1.581 10 0 CDAERP C[NH+](C)C1CCN(CC[NH2+]Cc2cn(C3CC3)cn2)CC1 ZINC000865483386 727205903 /nfs/dbraw/zinc/20/59/03/727205903.db2.gz IXMCMDWBJAEYSY-UHFFFAOYSA-N 2 0 291.443 1.334 10 0 CDAERP c1csc([C@@H]2CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000710439833 727209781 /nfs/dbraw/zinc/20/97/81/727209781.db2.gz GKVAZNWZBSYRCG-VXGBXAGGSA-N 2 0 251.399 1.932 10 0 CDAERP CCCCCC[N@H+](C)CC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000842512967 727231324 /nfs/dbraw/zinc/23/13/24/727231324.db2.gz YBPFZJCMZKEEDZ-UHFFFAOYSA-N 2 0 281.444 1.853 10 0 CDAERP CC[C@H](C)CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870019733 727252542 /nfs/dbraw/zinc/25/25/42/727252542.db2.gz NWJGDORYFRUXQH-RRFJBIMHSA-N 2 0 283.460 1.620 10 0 CDAERP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)C1 ZINC000923400778 727260124 /nfs/dbraw/zinc/26/01/24/727260124.db2.gz OFMBNBUYIVXWTM-LTAJLKHCSA-N 2 0 272.392 1.573 10 0 CDAERP O[C@H](CN[C@H](c1cccnc1)C1CC1)C[NH+]1CCCC1 ZINC000782533196 727262491 /nfs/dbraw/zinc/26/24/91/727262491.db2.gz XBTYVXCPXRHTEU-CVEARBPZSA-N 2 0 275.396 1.579 10 0 CDAERP O[C@@H](CC1CCCC1)C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000923380291 727300433 /nfs/dbraw/zinc/30/04/33/727300433.db2.gz GBZCCLYQDDOWFP-AWEZNQCLSA-N 2 0 252.402 1.756 10 0 CDAERP CC(C)OC(=O)N1CCC([NH2+][C@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000817913391 727302013 /nfs/dbraw/zinc/30/20/13/727302013.db2.gz ZJAUFFPIHHKQAS-TZMCWYRMSA-N 2 0 283.416 1.726 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc2oc(=O)[nH]c2c1 ZINC000926831157 727303057 /nfs/dbraw/zinc/30/30/57/727303057.db2.gz BALULLZZGBWFIB-ODOQXGPZSA-N 2 0 287.363 1.963 10 0 CDAERP Cc1c[nH+]ccc1N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720870668 727305228 /nfs/dbraw/zinc/30/52/28/727305228.db2.gz KBCWKPVZAYKNQZ-ZJUUUORDSA-N 2 0 259.275 1.963 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]CCCO[C@H]2CCOC2)C12CCC2 ZINC000925553292 727333509 /nfs/dbraw/zinc/33/35/09/727333509.db2.gz QTTBEDJDBCXODD-YNEHKIRRSA-N 2 0 254.374 1.042 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccnnc2)CC1 ZINC000924655534 727357751 /nfs/dbraw/zinc/35/77/51/727357751.db2.gz URDAETQDWDJVSC-CQSZACIVSA-N 2 0 277.416 1.155 10 0 CDAERP C[NH+](C)C1(CN[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CCOCC1 ZINC000925488171 727379645 /nfs/dbraw/zinc/37/96/45/727379645.db2.gz HJRYESZRELJLFE-KGLIPLIRSA-N 2 0 283.460 1.593 10 0 CDAERP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C[C@@H](C1CC1)N(C)C ZINC000924717482 727385223 /nfs/dbraw/zinc/38/52/23/727385223.db2.gz MHWVACFYLGMXEQ-KKUMJFAQSA-N 2 0 254.418 1.977 10 0 CDAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CC3(C)C)CC[C@@H]21 ZINC000711375978 727388272 /nfs/dbraw/zinc/38/82/72/727388272.db2.gz GMEXPABLYYIDOC-RDBSUJKOSA-N 2 0 279.428 1.175 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CC[C@@H]1CC(C)(C)CO1 ZINC000717312745 727392925 /nfs/dbraw/zinc/39/29/25/727392925.db2.gz HTHGACZKJWIMEJ-QWHCGFSZSA-N 2 0 258.406 1.535 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CCOC12CCOCC2)C[NH+](C)C ZINC000926474742 727401428 /nfs/dbraw/zinc/40/14/28/727401428.db2.gz SKVWCTUPPONDRZ-CHWSQXEVSA-N 2 0 256.390 1.112 10 0 CDAERP [NH3+]CCCCCC[N@@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852753728 727401453 /nfs/dbraw/zinc/40/14/53/727401453.db2.gz GWNONNCRBBQDNO-UHFFFAOYSA-N 2 0 251.374 1.375 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCN1CCNC(=O)CC1(C)C ZINC000931206326 727412458 /nfs/dbraw/zinc/41/24/58/727412458.db2.gz GGBQLBAQYNPWAW-LBPRGKRZSA-N 2 0 253.390 1.071 10 0 CDAERP O[C@H](C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C1CC1 ZINC000819220138 727419189 /nfs/dbraw/zinc/41/91/89/727419189.db2.gz YNFRBVCLQMLIPF-IAGOWNOFSA-N 2 0 290.407 1.114 10 0 CDAERP CCCn1nccc1NC(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923502439 727420383 /nfs/dbraw/zinc/42/03/83/727420383.db2.gz XRRITBDFAIQWJF-OLZOCXBDSA-N 2 0 293.415 1.148 10 0 CDAERP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@H](C)O)C2)ccn1 ZINC000856584418 727423652 /nfs/dbraw/zinc/42/36/52/727423652.db2.gz JTTXGJRNIVBPBV-BBRMVZONSA-N 2 0 293.411 1.367 10 0 CDAERP CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723886609 727429005 /nfs/dbraw/zinc/42/90/05/727429005.db2.gz MHOULENMUOIRJO-MROQNXINSA-N 2 0 255.406 1.206 10 0 CDAERP CC1(C)[C@H]([NH2+][C@@H]2CCC[C@@H]2CCO)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925647443 727433515 /nfs/dbraw/zinc/43/35/15/727433515.db2.gz ZCJGILBYQKBDFE-ARILJUKYSA-N 2 0 266.429 1.904 10 0 CDAERP CCOC(=O)C1=CC[C@H]([NH2+][C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000863544500 727435146 /nfs/dbraw/zinc/43/51/46/727435146.db2.gz VZYLAPUITQCWSC-IHRRRGAJSA-N 2 0 266.385 1.888 10 0 CDAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CC(CC(N)=O)C1 ZINC000718421342 727437323 /nfs/dbraw/zinc/43/73/23/727437323.db2.gz OLARGMXXRLSCGB-ZIHBUVQPSA-N 2 0 267.417 1.541 10 0 CDAERP C[C@H](NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccnnc1 ZINC000925554441 727446322 /nfs/dbraw/zinc/44/63/22/727446322.db2.gz AHKHHMLMQDPLRF-RCBQFDQVSA-N 2 0 290.411 1.505 10 0 CDAERP Cc1cc(C)cc(OC[C@H](O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000923412905 727449368 /nfs/dbraw/zinc/44/93/68/727449368.db2.gz ZXKBMCSIPAVDII-BZUAXINKSA-N 2 0 292.423 1.570 10 0 CDAERP CCOC(=O)C1([C@H](C)[NH2+]C[C@H]2C[C@H](OC)C2)CC[NH2+]CC1 ZINC000925735790 727490248 /nfs/dbraw/zinc/49/02/48/727490248.db2.gz IIBWHOGDJBEJPI-IHRRRGAJSA-N 2 0 298.427 1.322 10 0 CDAERP CC[N@@H+]1CC[C@@H]1CNC(=O)N1CC[NH+](C)C[C@@H]1CC(C)C ZINC000924019955 727490379 /nfs/dbraw/zinc/49/03/79/727490379.db2.gz BXHDWSGXNFYLLG-CABCVRRESA-N 2 0 296.459 1.452 10 0 CDAERP C[NH+](C)CC(C)(C)CNC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000711255072 727789340 /nfs/dbraw/zinc/78/93/40/727789340.db2.gz DGNAPEBGCLFAQM-DOMZBBRYSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@H]([NH3+])[C@H](C)C(=O)N1c2ccccc2[C@@H]([NH3+])C1(C)C ZINC000867986272 727807725 /nfs/dbraw/zinc/80/77/25/727807725.db2.gz APMCLQNPSDJRIY-OUJBWJOFSA-N 2 0 261.369 1.795 10 0 CDAERP Cc1cccc(C(=O)NCC[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925495326 727819882 /nfs/dbraw/zinc/81/98/82/727819882.db2.gz OJENDGRWIOEHBU-GJZGRUSLSA-N 2 0 287.407 1.584 10 0 CDAERP CC[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)[C@H]1CCCOC1 ZINC000872034654 727822086 /nfs/dbraw/zinc/82/20/86/727822086.db2.gz QCWVDFZFLVZNCQ-JYJNAYRXSA-N 2 0 283.460 1.417 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)CCC[NH2+]C2CC2)C[C@@H]1C ZINC000923325238 727834779 /nfs/dbraw/zinc/83/47/79/727834779.db2.gz SJGWGYQOIQLPIQ-DZGCQCFKSA-N 2 0 253.434 1.933 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCC[NH+]1CCCCCC1 ZINC000924606717 727875579 /nfs/dbraw/zinc/87/55/79/727875579.db2.gz FMDCOVQPJMGIPE-XYPWUTKMSA-N 2 0 265.445 1.792 10 0 CDAERP C[C@H]1C[NH+]=C(NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)N1 ZINC000849046003 727883808 /nfs/dbraw/zinc/88/38/08/727883808.db2.gz LVHIOSLZXXOHDX-CFVMTHIKSA-N 2 0 272.396 1.269 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H](O)c1ccsc1 ZINC000925108918 727897467 /nfs/dbraw/zinc/89/74/67/727897467.db2.gz IHJRSJMSFZMKMQ-KVCLCRKTSA-N 2 0 266.410 1.711 10 0 CDAERP Cc1cc(N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)nc(N)[nH+]1 ZINC000720445288 727898686 /nfs/dbraw/zinc/89/86/86/727898686.db2.gz RELYRPXYVXSCFD-QWRGUYRKSA-N 2 0 279.413 1.359 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1CCCN2CCSC[C@@H]12 ZINC000928101254 727919458 /nfs/dbraw/zinc/91/94/58/727919458.db2.gz XIMRPANWCLIKKE-STQMWFEESA-N 2 0 285.457 1.024 10 0 CDAERP COC(=O)N1CCC([NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC1 ZINC000925571287 728001526 /nfs/dbraw/zinc/00/15/26/728001526.db2.gz ZALXMQWBKXWYDM-HZSPNIEDSA-N 2 0 295.427 1.583 10 0 CDAERP Cc1cc([C@@H]([NH3+])CC(=O)N(C)CCC[NH3+])cc(Cl)n1 ZINC000832781158 728020973 /nfs/dbraw/zinc/02/09/73/728020973.db2.gz CTOCHSWWYLDAOV-NSHDSACASA-N 2 0 284.791 1.241 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)CCC2(O)CCC2)C1 ZINC000929778369 728101270 /nfs/dbraw/zinc/10/12/70/728101270.db2.gz HUQBLKHSSYJGMT-JKSUJKDBSA-N 2 0 298.471 1.706 10 0 CDAERP CCN(CC)C(=O)[C@H](C)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923456894 728135913 /nfs/dbraw/zinc/13/59/13/728135913.db2.gz ZTOFSFHTTCGCMJ-UONOGXRCSA-N 2 0 297.443 1.073 10 0 CDAERP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000866703712 728139211 /nfs/dbraw/zinc/13/92/11/728139211.db2.gz KQGGGDNMAPKIAJ-AGIUHOORSA-N 2 0 268.426 1.192 10 0 CDAERP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)C1([NH2+]C2CC2)CCC1 ZINC000852880261 728139486 /nfs/dbraw/zinc/13/94/86/728139486.db2.gz LICDRILOCRRMMP-INIZCTEOSA-N 2 0 299.418 1.664 10 0 CDAERP C[NH+]1CCN(CCC[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)CC1 ZINC000924579135 728141068 /nfs/dbraw/zinc/14/10/68/728141068.db2.gz VXXFLOCXCBRQEF-SJORKVTESA-N 2 0 295.471 1.419 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH2+]CC2(C)C)C1 ZINC000711392879 728151643 /nfs/dbraw/zinc/15/16/43/728151643.db2.gz HEWQZKBKSDPJPO-OLZOCXBDSA-N 2 0 281.444 1.469 10 0 CDAERP FC1(F)C[C@@H]1OCC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000701772206 728167449 /nfs/dbraw/zinc/16/74/49/728167449.db2.gz MSTXSSSGLKMRHK-NSHDSACASA-N 2 0 260.328 1.486 10 0 CDAERP O=C(CCC12CC(C1)C[NH2+]2)N1CCC(c2ncc[nH]2)CC1 ZINC000870876217 728168852 /nfs/dbraw/zinc/16/88/52/728168852.db2.gz GDVNPUKWLQIADL-UHFFFAOYSA-N 2 0 288.395 1.648 10 0 CDAERP C1CC2(C1)C[C@H]([NH2+][C@H]1CNCCOC1)CCS2 ZINC000925855333 728171957 /nfs/dbraw/zinc/17/19/57/728171957.db2.gz CJFQXBNTGMYGIO-NEPJUHHUSA-N 2 0 256.415 1.383 10 0 CDAERP CC1(C)[C@H](NC[C@@H]2C[NH2+]CCC2(F)F)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925776130 728186215 /nfs/dbraw/zinc/18/62/15/728186215.db2.gz JAAJTAZNBXBQQE-QNWHQSFQSA-N 2 0 287.398 1.597 10 0 CDAERP CCO[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C[NH+](C)C ZINC000925833133 728211842 /nfs/dbraw/zinc/21/18/42/728211842.db2.gz FOWKSMYYVFTVIH-YYIAUSFCSA-N 2 0 297.487 1.854 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)CC2(C[NH3+])CC2)C1 ZINC000870994911 728229000 /nfs/dbraw/zinc/22/90/00/728229000.db2.gz YACZJAOBZPUYAA-HNNXBMFYSA-N 2 0 267.417 1.339 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NCCC[NH+]1CCCCC1 ZINC000713009122 728232962 /nfs/dbraw/zinc/23/29/62/728232962.db2.gz NSQQUUJCWFGZLP-AWEZNQCLSA-N 2 0 283.460 1.988 10 0 CDAERP CCOC(=O)CC[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705978 728309493 /nfs/dbraw/zinc/30/94/93/728309493.db2.gz DJSQVTPSENCWLL-AWEZNQCLSA-N 2 0 256.390 1.637 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCOc2cccnc2)[C@@H]2CCC[C@@H]21 ZINC000796763031 728311086 /nfs/dbraw/zinc/31/10/86/728311086.db2.gz RQUSNYYUDHQZNN-JYJNAYRXSA-N 2 0 275.396 1.923 10 0 CDAERP CC1(C)C[C@@H]([NH2+]CCOC[C@@H]2CCCO2)C[C@@H]([NH3+])C1 ZINC000925497585 728358811 /nfs/dbraw/zinc/35/88/11/728358811.db2.gz IBFKUSSZXRCIFC-RDBSUJKOSA-N 2 0 270.417 1.678 10 0 CDAERP C[NH+]1CCC2(CC1)C[N@H+](CCCc1cccnc1)CCO2 ZINC000930823481 728362394 /nfs/dbraw/zinc/36/23/94/728362394.db2.gz LVBQYGDPNKRPBP-UHFFFAOYSA-N 2 0 289.423 1.811 10 0 CDAERP CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000237036137 728371804 /nfs/dbraw/zinc/37/18/04/728371804.db2.gz IFPDLJRMCUPWKZ-MELADBBJSA-N 2 0 269.433 1.693 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCc1nc(CN(C)C)cs1 ZINC000927772686 728372002 /nfs/dbraw/zinc/37/20/02/728372002.db2.gz YCYNZNYJEBJSNQ-UHFFFAOYSA-N 2 0 284.429 1.161 10 0 CDAERP [NH3+]C1(CNC(=O)CCC23CC(C2)C[NH2+]3)CCCCC1 ZINC000870932333 728376033 /nfs/dbraw/zinc/37/60/33/728376033.db2.gz DJKXLYYCQMKJSA-UHFFFAOYSA-N 2 0 265.401 1.296 10 0 CDAERP C[C@@H](CCc1cccnc1)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000866244397 1164756703 /nfs/dbraw/zinc/75/67/03/1164756703.db2.gz NJLFZEXXISLUKE-GOEBONIOSA-N 2 0 277.412 1.449 10 0 CDAERP CC(C)CC[C@H](O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001620628347 1165661860 /nfs/dbraw/zinc/66/18/60/1165661860.db2.gz KKEFVJGEWGTDIU-ILXRZTDVSA-N 2 0 254.418 1.667 10 0 CDAERP CC[C@@H](C)C[NH2+]CC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001568699044 1167540637 /nfs/dbraw/zinc/54/06/37/1167540637.db2.gz LIQUQVPCYHTVGK-KGLIPLIRSA-N 2 0 281.444 1.613 10 0 CDAERP CCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001569820698 1167567374 /nfs/dbraw/zinc/56/73/74/1167567374.db2.gz UDRQMNYJBBLVFI-HUUCEWRRSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001565879069 1168064991 /nfs/dbraw/zinc/06/49/91/1168064991.db2.gz YWGIBRLEXKLSNK-BZUAXINKSA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001568263637 1168100006 /nfs/dbraw/zinc/10/00/06/1168100006.db2.gz ZBQUZAKBCUUDNV-KBPBESRZSA-N 2 0 267.417 1.483 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@H]1CN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001565831513 1168178927 /nfs/dbraw/zinc/17/89/27/1168178927.db2.gz IKPRUWYLXHAKRK-CVEARBPZSA-N 2 0 293.455 1.827 10 0 CDAERP CCC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001565939133 1168204682 /nfs/dbraw/zinc/20/46/82/1168204682.db2.gz OLPYQWPUOCQWKX-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H](C[NH2+]CCF)C1 ZINC001565978222 1168207160 /nfs/dbraw/zinc/20/71/60/1168207160.db2.gz XJNFTSZPUMJMMC-RDBSUJKOSA-N 2 0 285.407 1.124 10 0 CDAERP C[C@@H]1[C@H](C(=O)NC2CCC([NH2+]CCCF)CC2)CC[N@@H+]1C ZINC001566983276 1168488210 /nfs/dbraw/zinc/48/82/10/1168488210.db2.gz BVLORTYZESOERE-XSCHDIRWSA-N 2 0 299.434 1.703 10 0 CDAERP C[NH+](C)CCOCC[NH2+]Cc1cncc2ccccc21 ZINC000231676203 912485436 /nfs/dbraw/zinc/48/54/36/912485436.db2.gz CSDJWEWMLHUUBO-UHFFFAOYSA-N 2 0 273.380 1.903 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)CC1 ZINC001433966768 912674971 /nfs/dbraw/zinc/67/49/71/912674971.db2.gz HQNMOYWIMSIZNE-IYBDPMFKSA-N 2 0 293.455 1.374 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)CCC2CC2)CC[N@@H+]1C ZINC001480865430 894176803 /nfs/dbraw/zinc/17/68/03/894176803.db2.gz GTKFVXNFONTMIO-LSDHHAIUSA-N 2 0 281.444 1.565 10 0 CDAERP COCCC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001266361751 894567804 /nfs/dbraw/zinc/56/78/04/894567804.db2.gz RIXUWLMWBCKYQP-HNNXBMFYSA-N 2 0 297.443 1.089 10 0 CDAERP CC(C)=CC[NH2+][C@H](CNC(=O)Cn1cncc1C)C1CC1 ZINC001266420595 894786924 /nfs/dbraw/zinc/78/69/24/894786924.db2.gz KHFQDOBUARGVNF-OAHLLOKOSA-N 2 0 290.411 1.642 10 0 CDAERP CCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001266501728 895091300 /nfs/dbraw/zinc/09/13/00/895091300.db2.gz IFSFWMJIPAVJJL-OAGGEKHMSA-N 2 0 293.455 1.804 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]CCCCCF)C2)C1 ZINC001266713272 895889942 /nfs/dbraw/zinc/88/99/42/895889942.db2.gz VEAATDLVMJFCMV-SOUVJXGZSA-N 2 0 299.434 1.705 10 0 CDAERP CC[NH2+]C1CCC(NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001266915837 896334408 /nfs/dbraw/zinc/33/44/08/896334408.db2.gz OBFVCCUOIUJLTA-WXRRBKDZSA-N 2 0 255.406 1.364 10 0 CDAERP CC[C@H](O)CCC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693677218 897161550 /nfs/dbraw/zinc/16/15/50/897161550.db2.gz UQRYEQQIOIJNBJ-FQUUOJAGSA-N 2 0 254.418 1.904 10 0 CDAERP CN(CC[NH2+]CCF)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001567573400 1168866119 /nfs/dbraw/zinc/86/61/19/1168866119.db2.gz CVYMVUWGHSQYDE-STQMWFEESA-N 2 0 271.380 1.021 10 0 CDAERP COC(=O)N(C)CC[N@H+](C)CCC1CC[NH2+]CC1 ZINC000690770919 897930399 /nfs/dbraw/zinc/93/03/99/897930399.db2.gz ITANEUPTWVYZMH-UHFFFAOYSA-N 2 0 257.378 1.006 10 0 CDAERP CC[C@H](C(=O)N1CCC([C@@H](C)[NH2+]CCOC)CC1)[NH+](C)C ZINC001267492135 898147482 /nfs/dbraw/zinc/14/74/82/898147482.db2.gz FOYJEYMCPQPUOA-UKRRQHHQSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH2+]CC[C@@H](C)F ZINC001567611826 1168888052 /nfs/dbraw/zinc/88/80/52/1168888052.db2.gz WLIMPJLQISMVJR-GFCCVEGCSA-N 2 0 261.385 1.123 10 0 CDAERP CC[N@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)CC1CC1 ZINC001481018399 898507264 /nfs/dbraw/zinc/50/72/64/898507264.db2.gz KYUFYXVHDHPDPN-ZIAGYGMSSA-N 2 0 281.444 1.707 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@](C)(C[NH2+]CCF)C2CC2)C1 ZINC001267863308 899897322 /nfs/dbraw/zinc/89/73/22/899897322.db2.gz GDOKLRPSVAMURI-SWLSCSKDSA-N 2 0 285.407 1.172 10 0 CDAERP CN(CC[NH2+]CC1CCCCC1)C(=O)C12CC[NH+](CC1)C2 ZINC001481304408 900283893 /nfs/dbraw/zinc/28/38/93/900283893.db2.gz SGBBORPBRSKNRX-UHFFFAOYSA-N 2 0 293.455 1.711 10 0 CDAERP CCC[N@H+](C)CC1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001481520078 901041592 /nfs/dbraw/zinc/04/15/92/901041592.db2.gz BMQPEWLITGABSB-MRXNPFEDSA-N 2 0 295.471 1.909 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001567741080 1168946918 /nfs/dbraw/zinc/94/69/18/1168946918.db2.gz HJUSODWINQHGSH-JKSUJKDBSA-N 2 0 293.455 1.685 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@@H]1C[NH2+]CCF ZINC001268196977 901552265 /nfs/dbraw/zinc/55/22/65/901552265.db2.gz VSVJDWOKKMHFRV-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001268256394 901683358 /nfs/dbraw/zinc/68/33/58/901683358.db2.gz FTRNAADKAMPORK-CQSZACIVSA-N 2 0 269.433 1.519 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001268256392 901683580 /nfs/dbraw/zinc/68/35/80/901683580.db2.gz FTRNAADKAMPORK-AWEZNQCLSA-N 2 0 269.433 1.519 10 0 CDAERP C[C@@H](CC[NH2+]C[C@H]1CCCCO1)NC(=O)C[NH+]1CCCC1 ZINC001268422589 902038734 /nfs/dbraw/zinc/03/87/34/902038734.db2.gz FLMNMIMHQHFKPZ-LSDHHAIUSA-N 2 0 297.443 1.136 10 0 CDAERP C[C@H]([NH2+]CCF)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001422039671 902078646 /nfs/dbraw/zinc/07/86/46/902078646.db2.gz AAKSZEVZLSAWRQ-KBPBESRZSA-N 2 0 285.407 1.268 10 0 CDAERP C[C@@H](F)CC[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001268803278 903141739 /nfs/dbraw/zinc/14/17/39/903141739.db2.gz YGLXOFRGFMRKES-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP COCCC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001269292428 903663686 /nfs/dbraw/zinc/66/36/86/903663686.db2.gz QJMPEFGXCNMCMB-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[NH2+]C(C)C ZINC001269401404 903780568 /nfs/dbraw/zinc/78/05/68/903780568.db2.gz CDWNXELBDXIGLP-KGLIPLIRSA-N 2 0 269.433 1.752 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CCCF)CCN1C(=O)C[NH+]1CCCC1 ZINC001269982192 904246851 /nfs/dbraw/zinc/24/68/51/904246851.db2.gz ULBQGCLXDYWUPO-KGLIPLIRSA-N 2 0 285.407 1.411 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]CC1=CCCCC1 ZINC001270372081 904571519 /nfs/dbraw/zinc/57/15/19/904571519.db2.gz NTECCIRYJLBTBV-GDBMZVCRSA-N 2 0 293.455 1.923 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)[C@H](C)C[NH2+]C/C=C/Cl)[NH+](C)C ZINC001482295254 904705036 /nfs/dbraw/zinc/70/50/36/904705036.db2.gz VYMUDOHIIIOLQO-NAISLTENSA-N 2 0 289.851 1.762 10 0 CDAERP CC/C=C/CC[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001567847604 1169014493 /nfs/dbraw/zinc/01/44/93/1169014493.db2.gz OQHUMYQORMPKSR-RGDDUWESSA-N 2 0 279.428 1.342 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N(C)CCC[NH+](C)C ZINC000713110397 904974451 /nfs/dbraw/zinc/97/44/51/904974451.db2.gz FCVKYLBZHSLENG-LBPRGKRZSA-N 2 0 257.422 1.406 10 0 CDAERP CCCCC[C@H](C)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000840732917 906293378 /nfs/dbraw/zinc/29/33/78/906293378.db2.gz JHLKFAWJPAFTGS-GJZGRUSLSA-N 2 0 271.449 1.153 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)C1C[NH+](Cc2ccccc2)C1 ZINC001409956154 921304153 /nfs/dbraw/zinc/30/41/53/921304153.db2.gz ZYGMSYRBDHSRLQ-CQSZACIVSA-N 2 0 289.423 1.575 10 0 CDAERP CC(C)[NH2+]CC[C@@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001482840892 908418442 /nfs/dbraw/zinc/41/84/42/908418442.db2.gz ABVNGWFGKFLGGR-ZIAGYGMSSA-N 2 0 269.433 1.754 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC001567953681 1169092339 /nfs/dbraw/zinc/09/23/39/1169092339.db2.gz AKZFOCCFGGKXGG-LBPRGKRZSA-N 2 0 255.406 1.127 10 0 CDAERP CCC[NH2+][C@@H](CC)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001567958457 1169094948 /nfs/dbraw/zinc/09/49/48/1169094948.db2.gz OHAVSMZYJSHTIJ-KBPBESRZSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)=CC[NH2+]C/C=C\CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001483060974 909205620 /nfs/dbraw/zinc/20/56/20/909205620.db2.gz REPGIOHYEXAZOX-FOSCPCJNSA-N 2 0 279.428 1.556 10 0 CDAERP CC[NH2+]C/C=C/CNC(=O)CCC[NH+]1CCCCC1 ZINC001483096753 909334451 /nfs/dbraw/zinc/33/44/51/909334451.db2.gz MZOXIDMYDOGHRB-SNAWJCMRSA-N 2 0 267.417 1.534 10 0 CDAERP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000713044630 909601827 /nfs/dbraw/zinc/60/18/27/909601827.db2.gz REAOGZBSEISKGD-NWDGAFQWSA-N 2 0 255.406 1.064 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000713024942 909602465 /nfs/dbraw/zinc/60/24/65/909602465.db2.gz SNVZXTJYMWVQRL-ZDUSSCGKSA-N 2 0 283.460 1.939 10 0 CDAERP CCCC[NH2+][C@H](CC)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001567984759 1169109184 /nfs/dbraw/zinc/10/91/84/1169109184.db2.gz SLZLEULAFAJIJP-UONOGXRCSA-N 2 0 269.433 1.613 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000715579886 910017549 /nfs/dbraw/zinc/01/75/49/910017549.db2.gz RRSNQSGCKUNFLQ-FRRDWIJNSA-N 2 0 251.374 1.023 10 0 CDAERP CCCn1cc([C@H](C)[NH2+]CC2CC[NH+](C)CC2)nn1 ZINC000715875349 910077750 /nfs/dbraw/zinc/07/77/50/910077750.db2.gz GZGSIYZNICATMI-LBPRGKRZSA-N 2 0 265.405 1.681 10 0 CDAERP CC[NH2+][C@H](C)[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001409478623 910429200 /nfs/dbraw/zinc/42/92/00/910429200.db2.gz UHIGLNZHYSXBRP-OLZOCXBDSA-N 2 0 277.412 1.865 10 0 CDAERP CCCCC[N@H+](C)C[C@@H](C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001483409302 911075974 /nfs/dbraw/zinc/07/59/74/911075974.db2.gz SDEVRDKOHBWFIN-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[NH2+]C[C@@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001483561684 911251418 /nfs/dbraw/zinc/25/14/18/911251418.db2.gz WBVRGSFGAZJVMP-LSDHHAIUSA-N 2 0 279.428 1.221 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](NC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001483584330 911293832 /nfs/dbraw/zinc/29/38/32/911293832.db2.gz VQUHPIOOYDGPII-HNNXBMFYSA-N 2 0 293.455 1.779 10 0 CDAERP CC[NH+](CC)CCC[N@@H+]1CC[C@@]2(CCOC2=O)C1 ZINC001648657533 1169146244 /nfs/dbraw/zinc/14/62/44/1169146244.db2.gz IEIGXLXNEXZQIA-CQSZACIVSA-N 2 0 254.374 1.357 10 0 CDAERP C[C@H]([NH2+]CCCF)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001493820084 915989131 /nfs/dbraw/zinc/98/91/31/915989131.db2.gz RXQQIXOYAFOIQD-DZGCQCFKSA-N 2 0 299.434 1.657 10 0 CDAERP CN(CCC[N@H+](C)Cc1cncs1)C(=O)CC[NH+](C)C ZINC001484756700 916143263 /nfs/dbraw/zinc/14/32/63/916143263.db2.gz CHTYNHGNXOQRSK-UHFFFAOYSA-N 2 0 298.456 1.375 10 0 CDAERP CC[NH2+]CC1(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CCOCC1 ZINC001484872039 916219838 /nfs/dbraw/zinc/21/98/38/916219838.db2.gz POSWGEPCXPMXHC-ZIAGYGMSSA-N 2 0 297.443 1.134 10 0 CDAERP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)[C@@H](C)[NH2+]CCC1CC1 ZINC001485158982 916614319 /nfs/dbraw/zinc/61/43/19/916614319.db2.gz UIZLABMWHHUMDK-CHWSQXEVSA-N 2 0 281.444 1.754 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)N(C)CCF)C1 ZINC001485341680 916854268 /nfs/dbraw/zinc/85/42/68/916854268.db2.gz KQIINARXHVBMBL-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)[C@@H]1CC[C@@H]2C[C@H](C)C[N@@H+]2C1 ZINC001649314394 1169190862 /nfs/dbraw/zinc/19/08/62/1169190862.db2.gz UMGHVLSFAHPPQJ-ARFHVFGLSA-N 2 0 295.471 1.907 10 0 CDAERP C[C@@H](CN(C)C(=O)C1CC[NH+](C)CC1)[NH2+]CC1CCCC1 ZINC001485920007 920576629 /nfs/dbraw/zinc/57/66/29/920576629.db2.gz PRDRKFKBHJRKBP-AWEZNQCLSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@]12CCC[C@@H]1[NH+](CC1CC1)CC2 ZINC001486155745 920762189 /nfs/dbraw/zinc/76/21/89/920762189.db2.gz RGXGKSPNWWMHFP-DOTOQJQBSA-N 2 0 293.455 1.850 10 0 CDAERP C[NH+](C)CCCC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCF)[C@@H]2C1 ZINC001486160239 920762804 /nfs/dbraw/zinc/76/28/04/920762804.db2.gz HAFWOXKNZANWKA-RRFJBIMHSA-N 2 0 299.434 1.514 10 0 CDAERP CCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H](C)C1 ZINC001671243660 1169257994 /nfs/dbraw/zinc/25/79/94/1169257994.db2.gz DRJICZWFXPGGAV-STQMWFEESA-N 2 0 255.406 1.317 10 0 CDAERP c1ccc2c(CN3CC[NH2+]CC[NH2+]CC3)nsc2c1 ZINC000923461512 923848798 /nfs/dbraw/zinc/84/87/98/923848798.db2.gz XTATXZNZBQJZEX-UHFFFAOYSA-N 2 0 276.409 1.291 10 0 CDAERP CC[C@H](C(=O)N1CCCC[C@H]1CC[NH2+]CCF)[NH+](C)C ZINC001568386609 1169270005 /nfs/dbraw/zinc/27/00/05/1169270005.db2.gz FTNOIWWTWIMSJX-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP CC[NH2+]CC[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001568392829 1169270934 /nfs/dbraw/zinc/27/09/34/1169270934.db2.gz XQXZJEZLYJOBMI-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC001141934984 936955885 /nfs/dbraw/zinc/95/58/85/936955885.db2.gz GBMKBCPFUHYNKN-ZDUSSCGKSA-N 2 0 267.417 1.128 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2[C@H]3C[NH+](CC4CC4)C[C@H]32)C1 ZINC001410105504 925047974 /nfs/dbraw/zinc/04/79/74/925047974.db2.gz CKIZDLWAAZQAHB-MIGQKNRLSA-N 2 0 291.439 1.032 10 0 CDAERP Cc1cc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CCC[N@@H+]2C)on1 ZINC001410352059 925559083 /nfs/dbraw/zinc/55/90/83/925559083.db2.gz RTHWRGWBNRWNSW-OCCSQVGLSA-N 2 0 294.399 1.014 10 0 CDAERP CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]C/C=C/Cl)[NH+](C)C ZINC001410395713 925597854 /nfs/dbraw/zinc/59/78/54/925597854.db2.gz PCIGMCVECAYQLE-ADYIUWEDSA-N 2 0 275.824 1.516 10 0 CDAERP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CC1CCCCC1 ZINC001410434152 925655783 /nfs/dbraw/zinc/65/57/83/925655783.db2.gz KOTHVXXSKKTRQZ-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP C[NH+](C)CCCC[NH2+]Cc1ccnn1-c1ccccn1 ZINC000842674084 937070627 /nfs/dbraw/zinc/07/06/27/937070627.db2.gz UOVAWLRRZNFWLM-UHFFFAOYSA-N 2 0 273.384 1.699 10 0 CDAERP CCC[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001490195815 927034177 /nfs/dbraw/zinc/03/41/77/927034177.db2.gz JHCRVWQONRPBBO-CHWSQXEVSA-N 2 0 255.406 1.175 10 0 CDAERP CC(C)[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001490680252 927280106 /nfs/dbraw/zinc/28/01/06/927280106.db2.gz URDORBKJDXHQQN-UONOGXRCSA-N 2 0 267.417 1.364 10 0 CDAERP Cc1cc([C@H]([NH3+])CC(=O)N(C)CC(C)(C)[NH3+])cc(Cl)n1 ZINC000852841729 927889022 /nfs/dbraw/zinc/88/90/22/927889022.db2.gz JVIWVEGLSFUZHM-LLVKDONJSA-N 2 0 298.818 1.629 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)C ZINC001136908319 931475173 /nfs/dbraw/zinc/47/51/73/931475173.db2.gz BTTWXLKWLJKIOP-MJBXVCDLSA-N 2 0 269.433 1.514 10 0 CDAERP CCOCC[NH2+]C1(C)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001274398403 931497046 /nfs/dbraw/zinc/49/70/46/931497046.db2.gz MXDKHYWKNJKDCP-UHFFFAOYSA-N 2 0 297.443 1.089 10 0 CDAERP CCCCC[NH2+]CC1(O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001274549747 931508142 /nfs/dbraw/zinc/50/81/42/931508142.db2.gz ASOZUHVWKSWMDP-UHFFFAOYSA-N 2 0 299.459 1.071 10 0 CDAERP Cc1ccc(N2CCC[N@H+](CCOCC[NH3+])CC2)cc1 ZINC000844221523 931557695 /nfs/dbraw/zinc/55/76/95/931557695.db2.gz FMAPZCORABFJCU-UHFFFAOYSA-N 2 0 277.412 1.482 10 0 CDAERP O=C(CCCC[NH+]1CCCC1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000844197875 931558609 /nfs/dbraw/zinc/55/86/09/931558609.db2.gz ZXNCEJPTNOPTEE-KRWDZBQOSA-N 2 0 293.455 1.855 10 0 CDAERP CC(C)CC[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001275208754 931700174 /nfs/dbraw/zinc/70/01/74/931700174.db2.gz AEYZVEYZAFUYLX-NRXISQOPSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@@H](C[NH2+]CCC(F)(F)F)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001275405260 931775514 /nfs/dbraw/zinc/77/55/14/931775514.db2.gz CSAAYRXKDNWLQM-WDEREUQCSA-N 2 0 295.349 1.375 10 0 CDAERP Cc1c(C(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)ccc2c[nH+]cn21 ZINC001411560006 931882118 /nfs/dbraw/zinc/88/21/18/931882118.db2.gz FGIHGXWUGLPXGQ-DYVFJYSZSA-N 2 0 298.390 1.666 10 0 CDAERP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CCC([NH2+]CCCF)CC1 ZINC001275595320 931899497 /nfs/dbraw/zinc/89/94/97/931899497.db2.gz VSVYRUKHZOBFPK-YMAMQOFZSA-N 2 0 299.434 1.799 10 0 CDAERP [NH3+]CCCCCCN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000846219360 931994521 /nfs/dbraw/zinc/99/45/21/931994521.db2.gz AHBMXRFMIDWECE-OAHLLOKOSA-N 2 0 262.401 1.547 10 0 CDAERP CN(C)Cc1ccc(C(=O)N[C@@H]2CCc3cncn3C2)o1 ZINC001412271246 932357106 /nfs/dbraw/zinc/35/71/06/932357106.db2.gz WUATYRGOQCQXPS-LLVKDONJSA-N 2 0 288.351 1.283 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC001412548135 932492253 /nfs/dbraw/zinc/49/22/53/932492253.db2.gz VNBBEIIOEMXFLQ-JKSUJKDBSA-N 2 0 293.455 1.707 10 0 CDAERP CCOC(=O)C[C@@H]1CCC[N@@H+]1C[C@]1(C)CC[NH2+]C1 ZINC001118242294 937608012 /nfs/dbraw/zinc/60/80/12/937608012.db2.gz DRJBWKCKVCQSJP-GXTWGEPZSA-N 2 0 254.374 1.404 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001118266357 937610280 /nfs/dbraw/zinc/61/02/80/937610280.db2.gz QFFKCZHKKUZCID-NFAWXSAZSA-N 2 0 265.401 1.106 10 0 CDAERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCOC[C@@H]2C(C)C)C1 ZINC000924705071 932815348 /nfs/dbraw/zinc/81/53/48/932815348.db2.gz KIXNDOBUIRYQQD-RBSFLKMASA-N 2 0 254.418 1.979 10 0 CDAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccnnc2)CC1 ZINC000924952028 932836207 /nfs/dbraw/zinc/83/62/07/932836207.db2.gz MRQWLDCCWKVPRQ-HUUCEWRRSA-N 2 0 291.443 1.401 10 0 CDAERP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC2CCC1CC2 ZINC000924994485 932841776 /nfs/dbraw/zinc/84/17/76/932841776.db2.gz UQVKMMACJYGVNP-LBDPXKHJSA-N 2 0 265.445 1.791 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC000925504161 932895507 /nfs/dbraw/zinc/89/55/07/932895507.db2.gz MKRBFSXBDQWCQC-RYUDHWBXSA-N 2 0 253.390 1.008 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCc2nnc3ccccn32)C1 ZINC000925511512 932897634 /nfs/dbraw/zinc/89/76/34/932897634.db2.gz ODUFXSDMTOQAMI-CHWSQXEVSA-N 2 0 287.411 1.767 10 0 CDAERP Cc1n[nH]c(CC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)n1 ZINC000925633840 932918686 /nfs/dbraw/zinc/91/86/86/932918686.db2.gz ZIXHOOPQGNZDOQ-KGLIPLIRSA-N 2 0 277.416 1.414 10 0 CDAERP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)C(C)(C)CO ZINC000926673404 933012669 /nfs/dbraw/zinc/01/26/69/933012669.db2.gz BUSTZMRRAMEZHO-AWEZNQCLSA-N 2 0 298.471 1.874 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H](CO)CCc1ccccc1 ZINC000926891930 933031205 /nfs/dbraw/zinc/03/12/05/933031205.db2.gz GUWJPBHEBNUYDJ-SOABOVLPSA-N 2 0 288.435 1.910 10 0 CDAERP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)o1 ZINC000928438296 933144676 /nfs/dbraw/zinc/14/46/76/933144676.db2.gz DTDQDZYZGXSBDI-TZMCWYRMSA-N 2 0 293.411 1.944 10 0 CDAERP CCOC(=O)[C@@H]1C[C@H]1C[N@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000929782939 933268969 /nfs/dbraw/zinc/26/89/69/933268969.db2.gz XIMYGQWFSZJTGB-BYNSBNAKSA-N 2 0 282.428 1.990 10 0 CDAERP COC[C@@H](C[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3)OC ZINC001413092269 935899807 /nfs/dbraw/zinc/89/98/07/935899807.db2.gz HQKSQLGGIWQTIF-OAGGEKHMSA-N 2 0 282.428 1.456 10 0 CDAERP C[NH+](C)[C@H]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1(C)C ZINC001413196245 935942590 /nfs/dbraw/zinc/94/25/90/935942590.db2.gz XNPXNLFFIVYYMC-STQMWFEESA-N 2 0 283.460 1.809 10 0 CDAERP CC(C)(C)[NH2+]CC(=O)N1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001413395106 936010623 /nfs/dbraw/zinc/01/06/23/936010623.db2.gz QHADUEIMELBLLX-OAHLLOKOSA-N 2 0 289.423 1.418 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CCCF)C1CC1 ZINC001276612636 940434239 /nfs/dbraw/zinc/43/42/39/940434239.db2.gz VVPQPNBORIRNKB-KGLIPLIRSA-N 2 0 285.407 1.315 10 0 CDAERP C[C@H]([NH2+]Cc1ncc(Cl)n1C)C1CC[NH2+]CC1 ZINC000400505826 940851397 /nfs/dbraw/zinc/85/13/97/940851397.db2.gz JXCNEBXAJDTNKV-VIFPVBQESA-N 2 0 256.781 1.551 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]CCOCC(F)(F)F)C12CCC2 ZINC000405376449 940985826 /nfs/dbraw/zinc/98/58/26/940985826.db2.gz BLPQLMNISPCRCM-RKDXNWHRSA-N 2 0 252.280 1.425 10 0 CDAERP C[NH+](C)C[C@@H]1CCCCN1C(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001362033172 970797085 /nfs/dbraw/zinc/79/70/85/970797085.db2.gz TXBIHEAKRGUGBC-KBPBESRZSA-N 2 0 285.407 1.363 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1CC1CCCC1 ZINC001276916657 941695172 /nfs/dbraw/zinc/69/51/72/941695172.db2.gz UFPAFCLNJHVZHI-CQSZACIVSA-N 2 0 267.417 1.319 10 0 CDAERP C[N@@H+]1CC[C@@H]2C[NH+](CC3(O)CCCCCC3)C[C@@H]2C1 ZINC001473702435 970836703 /nfs/dbraw/zinc/83/67/03/970836703.db2.gz HXHVFJBVPPHNDJ-CABCVRRESA-N 2 0 266.429 1.955 10 0 CDAERP CC(C)C[N@H+](C[C@@H](O)C(C)(C)O)CC1CC[NH+](C)CC1 ZINC001473739347 970839931 /nfs/dbraw/zinc/83/99/31/970839931.db2.gz OTPIVHHNPUMGIS-OAHLLOKOSA-N 2 0 286.460 1.418 10 0 CDAERP CCCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001277026907 941832287 /nfs/dbraw/zinc/83/22/87/941832287.db2.gz KOPVULZBAFWJBC-RBSFLKMASA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)[NH2+][C@@H](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001281713965 942613196 /nfs/dbraw/zinc/61/31/96/942613196.db2.gz KRKBVISSKKEHBF-JSGCOSHPSA-N 2 0 267.417 1.221 10 0 CDAERP CCC[NH2+]CC1CC(NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001282065776 942653719 /nfs/dbraw/zinc/65/37/19/942653719.db2.gz AQZMMHBSQSTMPH-JXQTWKCFSA-N 2 0 269.433 1.467 10 0 CDAERP C[C@H]1C[C@H]([NH2+]CCCCCF)CN1C(=O)CC[NH+](C)C ZINC001284002580 943046667 /nfs/dbraw/zinc/04/66/67/943046667.db2.gz HBZFSGLJYQHALT-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCCF)C1 ZINC001263915615 944029139 /nfs/dbraw/zinc/02/91/39/944029139.db2.gz WAWMMQZMXSURJS-ZNMIVQPWSA-N 2 0 299.434 1.705 10 0 CDAERP COCC[NH2+][C@H]1CCCCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001264686119 944163120 /nfs/dbraw/zinc/16/31/20/944163120.db2.gz ZYCWFZZGSBZMJN-HNNXBMFYSA-N 2 0 299.459 1.334 10 0 CDAERP O=C(CCCC[NH+]1CCCC1)N[C@H]1C[C@H]([NH2+]CC2CC2)C1 ZINC001265510755 944412942 /nfs/dbraw/zinc/41/29/42/944412942.db2.gz VLOBIOUAZYBZSM-WKILWMFISA-N 2 0 293.455 1.899 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CC(C)C)[NH+](C)C ZINC001277979992 944425607 /nfs/dbraw/zinc/42/56/07/944425607.db2.gz BWLBAYMDQANRMH-ZIAGYGMSSA-N 2 0 269.433 1.563 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001265670076 944464071 /nfs/dbraw/zinc/46/40/71/944464071.db2.gz LCJSMFUDFZWDOB-HOTGVXAUSA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)[N@H+](C)CCCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001265864974 944548179 /nfs/dbraw/zinc/54/81/79/944548179.db2.gz SBXQVQJGOGNXQN-CQSZACIVSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]CC1CCC1 ZINC001278025082 944611069 /nfs/dbraw/zinc/61/10/69/944611069.db2.gz KHAKGQLWJJOTCL-CYBMUJFWSA-N 2 0 269.433 1.563 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](C[NH2+]CCCCCF)C2)C1 ZINC001266036788 944645865 /nfs/dbraw/zinc/64/58/65/944645865.db2.gz DJJYNWMHETWKGB-CABCVRRESA-N 2 0 299.434 1.516 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@@H]([NH2+]CCCF)C1 ZINC001266076416 944667265 /nfs/dbraw/zinc/66/72/65/944667265.db2.gz ZHQOPKJXSAARQM-KGLIPLIRSA-N 2 0 287.423 1.705 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]C(C)C ZINC001266191858 944742906 /nfs/dbraw/zinc/74/29/06/944742906.db2.gz LLQSSVLTCZQXCV-ZIAGYGMSSA-N 2 0 269.433 1.754 10 0 CDAERP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]CCC(C)(C)C ZINC001491562607 944823169 /nfs/dbraw/zinc/82/31/69/944823169.db2.gz AWKGXGQZONBHKV-CYBMUJFWSA-N 2 0 283.460 1.859 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)C1 ZINC001362466140 971302937 /nfs/dbraw/zinc/30/29/37/971302937.db2.gz XZQJFIBEMMJVTD-TUVASFSCSA-N 2 0 279.428 1.269 10 0 CDAERP C[C@H]1C[C@H]([NH2+]CCCF)CN1C(=O)C[N@H+](C)C1CCC1 ZINC001278379992 947356376 /nfs/dbraw/zinc/35/63/76/947356376.db2.gz WGMAQNHIBCKQIL-STQMWFEESA-N 2 0 285.407 1.409 10 0 CDAERP CC[C@H]1C[N@H+](CC)CCN1C(=O)CC[NH+]1CC[C@@H](F)C1 ZINC001362539775 971382407 /nfs/dbraw/zinc/38/24/07/971382407.db2.gz WSYMVILMQDSIEX-KGLIPLIRSA-N 2 0 285.407 1.363 10 0 CDAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC[C@@H](C)F)C1 ZINC001480139355 971598138 /nfs/dbraw/zinc/59/81/38/971598138.db2.gz SHQBVRBNOXBPSQ-TUVASFSCSA-N 2 0 299.434 1.844 10 0 CDAERP CC(C)OCCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001480485390 971750758 /nfs/dbraw/zinc/75/07/58/971750758.db2.gz AHVMSJZXSSSUPU-GJZGRUSLSA-N 2 0 299.459 1.380 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001480526881 971768925 /nfs/dbraw/zinc/76/89/25/971768925.db2.gz SAJGEFXAUJCFEU-IHRRRGAJSA-N 2 0 269.433 1.467 10 0 CDAERP CCCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001325596547 953978068 /nfs/dbraw/zinc/97/80/68/953978068.db2.gz RHJSHCYYVQLHTF-CABCVRRESA-N 2 0 283.460 1.812 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC[C@H]2CCCC[N@H+](C)C2)C1 ZINC001363996257 954111534 /nfs/dbraw/zinc/11/15/34/954111534.db2.gz YTMOAZNYCYFBAR-OWCLPIDISA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@H](CC[NH2+]CCF)C1 ZINC001326420065 954371103 /nfs/dbraw/zinc/37/11/03/954371103.db2.gz XXCJJXMIHLOBAH-ZDUSSCGKSA-N 2 0 273.396 1.126 10 0 CDAERP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@H]3CCCC[C@H]3O)CC2)C1 ZINC001364358248 954498074 /nfs/dbraw/zinc/49/80/74/954498074.db2.gz HFFSSDLKAHCNQF-IXDOHACOSA-N 2 0 295.471 1.249 10 0 CDAERP C[NH+](C)CC[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001364775287 955160841 /nfs/dbraw/zinc/16/08/41/955160841.db2.gz CQLVYLSFTWGERS-CQSZACIVSA-N 2 0 279.428 1.415 10 0 CDAERP CC[N@H+](C)[C@H](C(=O)NC[C@@H](C)[NH2+]CCF)c1ccccc1 ZINC001491640118 955340813 /nfs/dbraw/zinc/34/08/13/955340813.db2.gz PCUXGYDBJSJKIL-HIFRSBDPSA-N 2 0 295.402 1.743 10 0 CDAERP CO[C@H](C)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001493614084 972089680 /nfs/dbraw/zinc/08/96/80/972089680.db2.gz UBIXFHFSZIVANL-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP C[N@H+](CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[NH+](CCF)C2)C1CCC1 ZINC001421516132 955385255 /nfs/dbraw/zinc/38/52/55/955385255.db2.gz RYKBJLBWALPXFS-GUTXKFCHSA-N 2 0 297.418 1.409 10 0 CDAERP CN(CC[NH2+][C@H]1CCc2ccccc21)C(=O)CC[NH+](C)C ZINC001493682147 972098208 /nfs/dbraw/zinc/09/82/08/972098208.db2.gz TWOOKBZKMXCIIW-INIZCTEOSA-N 2 0 289.423 1.674 10 0 CDAERP CN(CCNCc1coc(C2CC2)n1)C(=O)CC[NH+](C)C ZINC001493681186 972098485 /nfs/dbraw/zinc/09/84/85/972098485.db2.gz CQICUISZSCGPPY-UHFFFAOYSA-N 2 0 294.399 1.052 10 0 CDAERP C[C@H](CCNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CC1CC1 ZINC001492036855 955622918 /nfs/dbraw/zinc/62/29/18/955622918.db2.gz LRZKROKZGFWBPA-HIFRSBDPSA-N 2 0 281.444 1.755 10 0 CDAERP CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001329076590 955669533 /nfs/dbraw/zinc/66/95/33/955669533.db2.gz SGLRYCMTHLGDHO-QWHCGFSZSA-N 2 0 267.417 1.508 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001422545970 956136946 /nfs/dbraw/zinc/13/69/46/956136946.db2.gz CSPSKZYMXIAUGE-MGPQQGTHSA-N 2 0 271.449 1.713 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1cncs1 ZINC001422728288 956294171 /nfs/dbraw/zinc/29/41/71/956294171.db2.gz DNFIGKJXBYYXKY-NSHDSACASA-N 2 0 284.429 1.079 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001365881304 956419798 /nfs/dbraw/zinc/41/97/98/956419798.db2.gz DNXZQPUWAPJOJW-OAGGEKHMSA-N 2 0 295.471 1.765 10 0 CDAERP C[NH+](C)CCCC(=O)N1CCCCC[C@@H]([NH2+]CCF)C1 ZINC001365882462 956421640 /nfs/dbraw/zinc/42/16/40/956421640.db2.gz DSOVZYLQDPWOCD-CQSZACIVSA-N 2 0 287.423 1.659 10 0 CDAERP CC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]1[NH2+]CCF ZINC001423067770 956557805 /nfs/dbraw/zinc/55/78/05/956557805.db2.gz RCODOGZTNFPPBB-ZIAGYGMSSA-N 2 0 287.423 1.513 10 0 CDAERP CC[C@H](C)C[NH2+][C@@H](C)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001423110052 956594498 /nfs/dbraw/zinc/59/44/98/956594498.db2.gz PUHJVPNAZKMXBY-KBPBESRZSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001366149619 956604574 /nfs/dbraw/zinc/60/45/74/956604574.db2.gz KXUSSJZLSOYHNQ-UPJWGTAASA-N 2 0 285.407 1.456 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC(C)C2)C1)[NH+](C)C ZINC001366159899 956612971 /nfs/dbraw/zinc/61/29/71/956612971.db2.gz OHOHTSFWHVFDPB-PCGVCOGMSA-N 2 0 281.444 1.610 10 0 CDAERP CC1CC(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH+](C)C)C1 ZINC001366195320 956632035 /nfs/dbraw/zinc/63/20/35/956632035.db2.gz DZFHGYXYVBLFBZ-UYSNPLJNSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](F)CC[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001366194829 956632816 /nfs/dbraw/zinc/63/28/16/956632816.db2.gz BYSYPCGDQIYHLT-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]CC ZINC001330826498 956653620 /nfs/dbraw/zinc/65/36/20/956653620.db2.gz GIHXHGMAMINQDW-KBPBESRZSA-N 2 0 269.433 1.755 10 0 CDAERP CC(C)[NH2+]CCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001330900993 956694376 /nfs/dbraw/zinc/69/43/76/956694376.db2.gz QKGNSLLYTKIABE-KKUMJFAQSA-N 2 0 283.460 2.000 10 0 CDAERP C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CCC1CC1 ZINC001366287671 956713680 /nfs/dbraw/zinc/71/36/80/956713680.db2.gz LNNHMKLTUKUWDL-AWEZNQCLSA-N 2 0 293.455 1.757 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC1CC1 ZINC001366293923 956716883 /nfs/dbraw/zinc/71/68/83/956716883.db2.gz AFSWZVVGXBFUMT-ZFWWWQNUSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CC1CC1 ZINC001366326153 956745483 /nfs/dbraw/zinc/74/54/83/956745483.db2.gz FRENBNITNXFPLE-KBPBESRZSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@@H](C)C[NH+]1CC(N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001423408843 956764201 /nfs/dbraw/zinc/76/42/01/956764201.db2.gz XWIVZFDSXOALDJ-HIFRSBDPSA-N 2 0 283.460 1.761 10 0 CDAERP CC1CC(C[NH+]2CC(NC(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001494401142 972226292 /nfs/dbraw/zinc/22/62/92/972226292.db2.gz DTPKUTNTXPZSDP-ZBCRRDGASA-N 2 0 293.455 1.707 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC[N@@H+](C)CC2CC2)C1 ZINC001366587471 956998968 /nfs/dbraw/zinc/99/89/68/956998968.db2.gz XCUFYLKLXAMPKQ-HUUCEWRRSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001331559424 957137598 /nfs/dbraw/zinc/13/75/98/957137598.db2.gz FJBXDKXLRBDNBF-GJZGRUSLSA-N 2 0 281.444 1.731 10 0 CDAERP C[C@H](F)CC[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CCC1 ZINC001424196565 957151527 /nfs/dbraw/zinc/15/15/27/957151527.db2.gz LUUOYZDCLFMLOC-ZDUSSCGKSA-N 2 0 299.434 1.705 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)CN(C)C(=O)Cn1ccnc1 ZINC001331645793 957183443 /nfs/dbraw/zinc/18/34/43/957183443.db2.gz CORQECIFCMHLGB-ZDUSSCGKSA-N 2 0 266.389 1.366 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1CCC[N@H+](CC2CC(C)C2)C1)[NH+](C)C ZINC001366887815 957246102 /nfs/dbraw/zinc/24/61/02/957246102.db2.gz HXBOOXOSZJTUAK-QDIHITRGSA-N 2 0 295.471 1.953 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCCCCF)C2)C1 ZINC001317092386 957265997 /nfs/dbraw/zinc/26/59/97/957265997.db2.gz GBCJOERHXRSPRC-IHRRRGAJSA-N 2 0 285.407 1.315 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH2+]CC1CCC1 ZINC001569270301 1169741671 /nfs/dbraw/zinc/74/16/71/1169741671.db2.gz QIXJWRFSNPPRBX-UHFFFAOYSA-N 2 0 269.433 1.565 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H](C[NH2+]CCC2CC2)C1 ZINC001317158038 957311286 /nfs/dbraw/zinc/31/12/86/957311286.db2.gz PNAWWTFRAQWNTK-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]CCF)CC[N@@H+]1C ZINC001317185661 957330794 /nfs/dbraw/zinc/33/07/94/957330794.db2.gz AIUGCVLUCYQCFX-SOUVJXGZSA-N 2 0 299.434 1.657 10 0 CDAERP CC[NH2+][C@@H](C)[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001424782947 957357011 /nfs/dbraw/zinc/35/70/11/957357011.db2.gz GPMSASSBHCJMHZ-QWRGUYRKSA-N 2 0 274.368 1.759 10 0 CDAERP CC(C)CC(=O)N1CCN(C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC001331965018 957368896 /nfs/dbraw/zinc/36/88/96/957368896.db2.gz BHRJSKNQABUAIG-KGLIPLIRSA-N 2 0 267.417 1.032 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCCCCF ZINC001317245609 957375112 /nfs/dbraw/zinc/37/51/12/957375112.db2.gz IERCOVADIYKBKF-ZIAGYGMSSA-N 2 0 287.423 1.705 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]C/C=C/Cl)C1 ZINC001317339918 957429284 /nfs/dbraw/zinc/42/92/84/957429284.db2.gz OJAJSVGSUZBFJM-LVDDQXARSA-N 2 0 287.835 1.519 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H](C[NH2+]CCC3CC3)C2)C1 ZINC001317341691 957430458 /nfs/dbraw/zinc/43/04/58/957430458.db2.gz BPDVKFHSLYTJAG-HOTGVXAUSA-N 2 0 293.455 1.566 10 0 CDAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)C[C@H]1CCCCO1 ZINC001425083942 957465423 /nfs/dbraw/zinc/46/54/23/957465423.db2.gz YWTUEEMQFQZGRP-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)C1C[NH+](CC2CC(C)C2)C1 ZINC001425267074 957501980 /nfs/dbraw/zinc/50/19/80/957501980.db2.gz WPISKAFINGUCKC-SHARSMKWSA-N 2 0 295.471 1.809 10 0 CDAERP CN(CC[NH2+]CCC1CC1)C(=O)C12CCC[NH+]1CCC2 ZINC001317605595 957593410 /nfs/dbraw/zinc/59/34/10/957593410.db2.gz POYYRNRGCYSBDH-UHFFFAOYSA-N 2 0 279.428 1.463 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]CC1CC1 ZINC001317636386 957614020 /nfs/dbraw/zinc/61/40/20/957614020.db2.gz NJIKMERORBTWER-HNNXBMFYSA-N 2 0 281.444 1.707 10 0 CDAERP CN(CC[NH2+]CCCC1CCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001317660590 957626749 /nfs/dbraw/zinc/62/67/49/957626749.db2.gz FCPCUPBCJIYLHA-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP CC[N@@H+]1CC[C@]2(NC(=O)CCC[NH+]3CCCC3)CCC[C@H]12 ZINC001425913614 957640406 /nfs/dbraw/zinc/64/04/06/957640406.db2.gz RYVXGZDYVWXNCY-DOTOQJQBSA-N 2 0 293.455 1.996 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1[NH+](CCOC)CC2 ZINC001425907556 957641221 /nfs/dbraw/zinc/64/12/21/957641221.db2.gz NPFFKWIFSIAALQ-ZBFHGGJFSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)N(CC[N@H+](C)CC1CC1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001426126135 957697224 /nfs/dbraw/zinc/69/72/24/957697224.db2.gz ALUIGQXHDAZRQW-HNNXBMFYSA-N 2 0 281.444 1.517 10 0 CDAERP C[C@H](F)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC[NH+](C)C ZINC001494682203 972286990 /nfs/dbraw/zinc/28/69/90/972286990.db2.gz YXIYEHJKEKSKAO-KKUMJFAQSA-N 2 0 299.434 1.752 10 0 CDAERP CC(C)[NH2+]C[C@](C)(NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001367189300 957834357 /nfs/dbraw/zinc/83/43/57/957834357.db2.gz CCTLTNOBBKGYOY-CJNGLKHVSA-N 2 0 281.444 1.611 10 0 CDAERP CO[C@H](C)C[NH+]1CCC(CCNC(=O)CC[NH+](C)C)CC1 ZINC001367211181 957847861 /nfs/dbraw/zinc/84/78/61/957847861.db2.gz MVXZLINTZXAZKB-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CCF)C(C)(C)C ZINC001332840201 957875207 /nfs/dbraw/zinc/87/52/07/957875207.db2.gz CMOWAGPXGCABCP-STQMWFEESA-N 2 0 287.423 1.561 10 0 CDAERP CC[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC(C)C ZINC001318570796 958176571 /nfs/dbraw/zinc/17/65/71/958176571.db2.gz RLZFEJHZFNXLDJ-KBPBESRZSA-N 2 0 269.433 1.469 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NC1(C[NH2+]CCC2CC2)CCCC1 ZINC001318645311 958211758 /nfs/dbraw/zinc/21/17/58/958211758.db2.gz VFXSXJCANSAWSG-OAHLLOKOSA-N 2 0 293.455 1.899 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001367754131 958303897 /nfs/dbraw/zinc/30/38/97/958303897.db2.gz CSPSKZYMXIAUGE-HZSPNIEDSA-N 2 0 271.449 1.713 10 0 CDAERP CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001319515923 958605179 /nfs/dbraw/zinc/60/51/79/958605179.db2.gz SPBLVTKIIRPRDA-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP CC/C=C\CC[NH2+]C[C@@H](C)N(C)C(=O)Cc1cnc[nH]1 ZINC001319538024 958616288 /nfs/dbraw/zinc/61/62/88/958616288.db2.gz MUSLSHBCAACNCH-CFHLNLSMSA-N 2 0 278.400 1.745 10 0 CDAERP CC(C)[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CCCF ZINC001319915151 958785981 /nfs/dbraw/zinc/78/59/81/958785981.db2.gz INEYDDKBDNYTEA-GJZGRUSLSA-N 2 0 299.434 1.418 10 0 CDAERP COCC[N@H+](C)CCC[NH2+]CCc1ccc(F)cc1 ZINC001319913170 958786785 /nfs/dbraw/zinc/78/67/85/958786785.db2.gz IXJRGCUCSCMYGK-UHFFFAOYSA-N 2 0 268.376 1.926 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001368497755 958902632 /nfs/dbraw/zinc/90/26/32/958902632.db2.gz KVABJTKVCIKQGF-BYNSBNAKSA-N 2 0 299.434 1.703 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]C[C@H](CC)OC)C1)[NH+](C)C ZINC001368643284 959011028 /nfs/dbraw/zinc/01/10/28/959011028.db2.gz ZUYZWPLGFKVUTG-QLFBSQMISA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001368747140 959097975 /nfs/dbraw/zinc/09/79/75/959097975.db2.gz FDQZJJVIWJYYHV-CABCVRRESA-N 2 0 299.459 1.095 10 0 CDAERP C[NH+](C)CCC(=O)NC1CC(C[NH2+]CC2CCCC2)C1 ZINC001368820275 959155353 /nfs/dbraw/zinc/15/53/53/959155353.db2.gz GMYGHARYVWQZQI-UHFFFAOYSA-N 2 0 281.444 1.613 10 0 CDAERP Cc1cnc(C[NH2+][C@H](C)[C@H](C)NC(=O)CC[NH+](C)C)s1 ZINC001368867900 959206306 /nfs/dbraw/zinc/20/63/06/959206306.db2.gz ODCCEEJUKNAILR-NEPJUHHUSA-N 2 0 298.456 1.386 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001368881345 959224922 /nfs/dbraw/zinc/22/49/22/959224922.db2.gz GTLYCGXBTRHZFC-UONOGXRCSA-N 2 0 283.460 1.857 10 0 CDAERP Cc1nc(C)c(C[NH2+]CC[C@@H](C)NC(=O)CC[NH+](C)C)o1 ZINC001320544889 959233973 /nfs/dbraw/zinc/23/39/73/959233973.db2.gz VKNRMFLREYAZIB-LLVKDONJSA-N 2 0 296.415 1.228 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C1C[NH+](CCC2CC2)C1)[NH+](C)C ZINC001369076081 959444196 /nfs/dbraw/zinc/44/41/96/959444196.db2.gz OURLCOZRICCHJW-SWLSCSKDSA-N 2 0 281.444 1.563 10 0 CDAERP CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001369106161 959463114 /nfs/dbraw/zinc/46/31/14/959463114.db2.gz FZDSFQBTDQXGTN-KGLIPLIRSA-N 2 0 283.460 1.809 10 0 CDAERP CC(C)C[N@@H+]1C[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001369119400 959469025 /nfs/dbraw/zinc/46/90/25/959469025.db2.gz UWDHHZFHXVDLOQ-AWEZNQCLSA-N 2 0 283.460 1.811 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001369164165 959497080 /nfs/dbraw/zinc/49/70/80/959497080.db2.gz UEWCIXWKZHYXFG-RRFJBIMHSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@H](C[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)OC ZINC001321067527 959571888 /nfs/dbraw/zinc/57/18/88/959571888.db2.gz WUITXPAMUDBVCX-ZQXYTJGRSA-N 2 0 297.443 1.014 10 0 CDAERP Cc1conc1CN[C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001369319213 959627678 /nfs/dbraw/zinc/62/76/78/959627678.db2.gz BXZNIESADQZMFQ-GXTWGEPZSA-N 2 0 294.399 1.014 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001321746693 959929953 /nfs/dbraw/zinc/92/99/53/959929953.db2.gz NGISQIJMOOVAFA-LSDHHAIUSA-N 2 0 299.459 1.095 10 0 CDAERP CC(C)C[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001370197865 960020603 /nfs/dbraw/zinc/02/06/03/960020603.db2.gz GLMPVBJYTWSXTL-HUUCEWRRSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)C[NH2+][C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001370257290 960033223 /nfs/dbraw/zinc/03/32/23/960033223.db2.gz QIIWNXBCSZHOEA-DZGCQCFKSA-N 2 0 281.444 1.469 10 0 CDAERP C[C@@H](C[NH2+]CC1CCCC1)NC(=O)CC[NH+](C)C ZINC001321967949 960038747 /nfs/dbraw/zinc/03/87/47/960038747.db2.gz CDIHTLXTDYDVQQ-LBPRGKRZSA-N 2 0 255.406 1.223 10 0 CDAERP C[C@H](C(=O)N[C@@H](C)C[NH2+]CCCF)[NH+]1CCCCCC1 ZINC001322003842 960051345 /nfs/dbraw/zinc/05/13/45/960051345.db2.gz DGHODBLQLGDOJG-UONOGXRCSA-N 2 0 287.423 1.705 10 0 CDAERP CC(C)CC[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001370405762 960083503 /nfs/dbraw/zinc/08/35/03/960083503.db2.gz RNEZCWAFRCAWSK-CABCVRRESA-N 2 0 281.444 1.565 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001323095176 960447917 /nfs/dbraw/zinc/44/79/17/960447917.db2.gz WANPMJRQWPBGBL-GXTWGEPZSA-N 2 0 297.418 1.315 10 0 CDAERP C[C@H](Cn1ccnc1)NC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001433616251 960451744 /nfs/dbraw/zinc/45/17/44/960451744.db2.gz UHSCCMNTHXMWTA-RDBSUJKOSA-N 2 0 278.400 1.508 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001323264831 960594223 /nfs/dbraw/zinc/59/42/23/960594223.db2.gz XVRLKNASLADHES-FHFZEBMASA-N 2 0 281.444 1.873 10 0 CDAERP c1cc(N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc[nH+]1 ZINC001337710260 961377449 /nfs/dbraw/zinc/37/74/49/961377449.db2.gz SISAUECCTCILQJ-GJZGRUSLSA-N 2 0 261.369 1.559 10 0 CDAERP CCC(CC)C[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001419369874 961637106 /nfs/dbraw/zinc/63/71/06/961637106.db2.gz RBCLJBQEDSOWFD-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@H]2CC[NH+]2CCC2CC2)C1 ZINC001436322811 962177358 /nfs/dbraw/zinc/17/73/58/962177358.db2.gz NRYJXITWFFFTDH-GDBMZVCRSA-N 2 0 293.455 1.661 10 0 CDAERP CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@@H]2C1 ZINC001436458610 962269899 /nfs/dbraw/zinc/26/98/99/962269899.db2.gz KLPQQSUIKAFOQV-CABCVRRESA-N 2 0 281.444 1.517 10 0 CDAERP CC(C)n1ccc(C[NH2+][C@@H](C)CNC(=O)CC[NH+](C)C)n1 ZINC001437204017 962737203 /nfs/dbraw/zinc/73/72/03/962737203.db2.gz RXCBIDOADZEYJL-ZDUSSCGKSA-N 2 0 295.431 1.010 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCCCCF ZINC001569371055 1169813647 /nfs/dbraw/zinc/81/36/47/1169813647.db2.gz UGQASMDANCAUNI-GJZGRUSLSA-N 2 0 299.434 1.801 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001420476346 962956324 /nfs/dbraw/zinc/95/63/24/962956324.db2.gz AMOACKAYMNIOBA-UONOGXRCSA-N 2 0 287.423 1.561 10 0 CDAERP CC[C@H](F)C[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001420491469 962969418 /nfs/dbraw/zinc/96/94/18/962969418.db2.gz DDCWBQGKIYYOJF-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@H+](C)CCC1CC1 ZINC001437566730 963022915 /nfs/dbraw/zinc/02/29/15/963022915.db2.gz STCUSQUPMXYFFK-KBPBESRZSA-N 2 0 281.444 1.707 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CCC(C)C ZINC001437593077 963052992 /nfs/dbraw/zinc/05/29/92/963052992.db2.gz HJRQMZQDPNTRAJ-HUUCEWRRSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@H](F)CC[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001437677368 963112969 /nfs/dbraw/zinc/11/29/69/963112969.db2.gz HYKJVAWNFZWMHL-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001437724881 963146050 /nfs/dbraw/zinc/14/60/50/963146050.db2.gz SIAVGPAYVAZNGB-CABCVRRESA-N 2 0 283.460 1.812 10 0 CDAERP CCC[NH2+][C@H](C)C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001437854841 963207213 /nfs/dbraw/zinc/20/72/13/963207213.db2.gz LGZMFOTYNAZVNY-CQSZACIVSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001437931415 963246665 /nfs/dbraw/zinc/24/66/65/963246665.db2.gz MJMKKHMYDYOALX-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP CN(C(=O)CC[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CCCF)C1 ZINC001438236928 963377685 /nfs/dbraw/zinc/37/76/85/963377685.db2.gz VHEBYMNCEWENHV-HUUCEWRRSA-N 2 0 299.434 1.753 10 0 CDAERP CC[C@@H](C)C[NH+]1CC(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001421135740 963471166 /nfs/dbraw/zinc/47/11/66/963471166.db2.gz IAFRIJVOEFDKSV-CYBMUJFWSA-N 2 0 281.444 1.565 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)[C@@H](C)C[NH2+]Cc1cncs1 ZINC001438703002 963528567 /nfs/dbraw/zinc/52/85/67/963528567.db2.gz VIHQHKPPCIFSTA-LBPRGKRZSA-N 2 0 298.456 1.421 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001439781464 963857606 /nfs/dbraw/zinc/85/76/06/963857606.db2.gz FHDQZAWJHOIMNE-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001439782500 963857632 /nfs/dbraw/zinc/85/76/32/963857632.db2.gz FFLRJNDJKPGHQD-KBPBESRZSA-N 2 0 285.407 1.411 10 0 CDAERP COC[C@@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001440220781 963946586 /nfs/dbraw/zinc/94/65/86/963946586.db2.gz QMJDOYPJKZXCRQ-RBSFLKMASA-N 2 0 299.459 1.238 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001440241515 963953292 /nfs/dbraw/zinc/95/32/92/963953292.db2.gz JPCVIRHZNYNAOV-STQMWFEESA-N 2 0 273.396 1.219 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001440390337 964010716 /nfs/dbraw/zinc/01/07/16/964010716.db2.gz PJVRYJMMEVYZGK-JXYFPWFKSA-N 2 0 299.846 1.708 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC[C@@H](C)F)[C@@H]1C ZINC001440494444 964085381 /nfs/dbraw/zinc/08/53/81/964085381.db2.gz FRPICAMUAYDUKM-MCIONIFRSA-N 2 0 287.423 1.655 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC([N@H+](C)CCCF)CC1 ZINC001441385483 964491284 /nfs/dbraw/zinc/49/12/84/964491284.db2.gz JSTMQPGECZSWFC-UHFFFAOYSA-N 2 0 273.396 1.221 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]C/C=C\Cl)C[C@H]1C ZINC001441835796 964741159 /nfs/dbraw/zinc/74/11/59/964741159.db2.gz NJYNOZQOLIHHML-NTQVKLLNSA-N 2 0 287.835 1.658 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]CCC1CCOCC1 ZINC001442068043 964852466 /nfs/dbraw/zinc/85/24/66/964852466.db2.gz QVFOZFJGEMAVRJ-AWEZNQCLSA-N 2 0 299.459 1.238 10 0 CDAERP CCC(=O)N1CCC([NH2+]CCC2(C[NH3+])CC2)CC1 ZINC001346142009 964953256 /nfs/dbraw/zinc/95/32/56/964953256.db2.gz PBVHVQBDMUTMSF-UHFFFAOYSA-N 2 0 253.390 1.106 10 0 CDAERP CCCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@H+](CCOC)C1 ZINC001443184854 965384907 /nfs/dbraw/zinc/38/49/07/965384907.db2.gz HOMCWDRWLUTCFL-HNNXBMFYSA-N 2 0 299.459 1.286 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC001443202543 965391534 /nfs/dbraw/zinc/39/15/34/965391534.db2.gz KTSQXGZJMFYVPG-KGLIPLIRSA-N 2 0 269.433 1.517 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NCC[C@H]2CC[NH+](CCF)C2)C1 ZINC001443261459 965416546 /nfs/dbraw/zinc/41/65/46/965416546.db2.gz JRXVPDOOSPJJBK-KBPBESRZSA-N 2 0 285.407 1.126 10 0 CDAERP CC[N@@H+]1CCC[C@@H](CNC(=[NH2+])NCCC2CC2)C1 ZINC001348500963 966029419 /nfs/dbraw/zinc/02/94/19/966029419.db2.gz CWFMERNIVPOUJI-ZDUSSCGKSA-N 2 0 252.406 1.632 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001444987179 966041806 /nfs/dbraw/zinc/04/18/06/966041806.db2.gz ISFHAOCZBGYXNN-HIFRSBDPSA-N 2 0 299.434 1.467 10 0 CDAERP C[C@@H]1C[C@@H](C[N@H+](C)CCN(C)C(=O)CC[NH+](C)C)CCO1 ZINC001445024913 966064302 /nfs/dbraw/zinc/06/43/02/966064302.db2.gz GBLQQJRAUNHFHG-CABCVRRESA-N 2 0 299.459 1.143 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001446169389 966475576 /nfs/dbraw/zinc/47/55/76/966475576.db2.gz SKIOITRNHSTUQT-KGLIPLIRSA-N 2 0 297.418 1.315 10 0 CDAERP C[C@@H]([NH2+]CCC(F)(F)F)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001447944976 966934854 /nfs/dbraw/zinc/93/48/54/966934854.db2.gz YNAVSTQYXHQRFC-MNOVXSKESA-N 2 0 295.349 1.517 10 0 CDAERP C[C@H](CNC(=O)C1([NH+](C)C)CCCC1)[N@H+](C)C1CC1 ZINC001542814287 967248703 /nfs/dbraw/zinc/24/87/03/967248703.db2.gz VPPBRTSEMZSOGU-GFCCVEGCSA-N 2 0 267.417 1.460 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1C ZINC001543966277 967329004 /nfs/dbraw/zinc/32/90/04/967329004.db2.gz NTVVLBPUWRCJNV-AVGNSLFASA-N 2 0 265.401 1.070 10 0 CDAERP CC(C)CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001449017819 967334498 /nfs/dbraw/zinc/33/44/98/967334498.db2.gz QJSFQIDMRFPOAD-LSDHHAIUSA-N 2 0 293.455 1.707 10 0 CDAERP CCC(=O)N1CCC([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC001354234651 968559703 /nfs/dbraw/zinc/55/97/03/968559703.db2.gz IKOYNVPRJHDCRH-NEPJUHHUSA-N 2 0 253.390 1.104 10 0 CDAERP CC[N@@H+]1CCC[C@H](CNC(=[NH2+])N[C@H](C)C2CC2)C1 ZINC001355379921 969138275 /nfs/dbraw/zinc/13/82/75/969138275.db2.gz FTRHPXFDGROOKW-VXGBXAGGSA-N 2 0 252.406 1.631 10 0 CDAERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC23CC(C)(C2)OC3)C1 ZINC001459625263 969440672 /nfs/dbraw/zinc/44/06/72/969440672.db2.gz CXNBEQNJUMIRDK-KLAILNCOSA-N 2 0 296.455 1.988 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC001465021042 969838850 /nfs/dbraw/zinc/83/88/50/969838850.db2.gz QJBWOKNGMNOOEL-HNNXBMFYSA-N 2 0 295.471 1.812 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC001465027080 969840482 /nfs/dbraw/zinc/84/04/82/969840482.db2.gz AGWDSSPQEFLJAB-JSGCOSHPSA-N 2 0 267.417 1.175 10 0 CDAERP CN1CC[C@H]([N@@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)C1=O ZINC001414055226 969896437 /nfs/dbraw/zinc/89/64/37/969896437.db2.gz ASCBDANLZHZIGW-CWRNSKLLSA-N 2 0 277.412 1.025 10 0 CDAERP C[NH+](C)CCc1cccc(C(=O)NC[C@H]2CCC[N@@H+]2C)c1 ZINC001470206341 970301384 /nfs/dbraw/zinc/30/13/84/970301384.db2.gz QDUGZUVXDFGFNK-MRXNPFEDSA-N 2 0 289.423 1.615 10 0 CDAERP C[C@@H](CNC(=O)c1cccc(CC[NH+](C)C)c1)[NH+](C)C ZINC001361700528 970436598 /nfs/dbraw/zinc/43/65/98/970436598.db2.gz CNRAVWTUISMBTP-ZDUSSCGKSA-N 2 0 277.412 1.471 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12)[NH+](C)C ZINC001522676908 970533237 /nfs/dbraw/zinc/53/32/37/970533237.db2.gz HVZYAILNSILCPZ-SYQHCUMBSA-N 2 0 267.417 1.029 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)[NH+]1CCCC1 ZINC001472488774 970655138 /nfs/dbraw/zinc/65/51/38/970655138.db2.gz BNPDPIFUKOBIMJ-RBSFLKMASA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](C(C)(C)C)CC2)CC[N@@H+]1C ZINC001361952281 970709722 /nfs/dbraw/zinc/70/97/22/970709722.db2.gz JSEKCYHRWUOROW-UONOGXRCSA-N 2 0 281.444 1.659 10 0 CDAERP CC(C)C[NH2+]C[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001495718300 972606916 /nfs/dbraw/zinc/60/69/16/972606916.db2.gz HIIWTGNOCFMFNT-AWEZNQCLSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@H](CNC(=O)C1CC[NH+](C)CC1)C[NH2+]CC1CCCC1 ZINC001495730123 972612456 /nfs/dbraw/zinc/61/24/56/972612456.db2.gz HOZFGQNRALIHSW-AWEZNQCLSA-N 2 0 295.471 1.860 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccns1)N(C)C(=O)CC[NH+](C)C ZINC001496151042 972819370 /nfs/dbraw/zinc/81/93/70/972819370.db2.gz UJJLKIACBHQFCD-NSHDSACASA-N 2 0 284.429 1.031 10 0 CDAERP COCC[N@H+](C)CCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001496843482 973118497 /nfs/dbraw/zinc/11/84/97/973118497.db2.gz CEEVAUJPGWDZSV-OAHLLOKOSA-N 2 0 299.459 1.143 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CCC(F)(F)F)C1 ZINC001373398896 973415826 /nfs/dbraw/zinc/41/58/26/973415826.db2.gz ALKYQPOHYJWXIZ-NSHDSACASA-N 2 0 295.349 1.471 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@H]1C ZINC001417851740 973417803 /nfs/dbraw/zinc/41/78/03/973417803.db2.gz MDRTWEUCRCAEDN-KFWWJZLASA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H]([NH2+]C/C=C\CNC(=O)CC[NH+](C)C)c1ccccc1 ZINC001497672188 973459102 /nfs/dbraw/zinc/45/91/02/973459102.db2.gz AULIVJAZHISIMS-ZPIQOJFGSA-N 2 0 289.423 1.961 10 0 CDAERP O=C(NC/C=C\C[NH2+]CC1CCC1)C12CC[NH+](CC1)C2 ZINC001497726895 973475763 /nfs/dbraw/zinc/47/57/63/973475763.db2.gz JZNFCZHLCSDSSG-UPHRSURJSA-N 2 0 277.412 1.144 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1CC[N@@H+](C(C)C)C1 ZINC001373592247 973507043 /nfs/dbraw/zinc/50/70/43/973507043.db2.gz IXZHUJUKLJVSOS-QWHCGFSZSA-N 2 0 273.396 1.265 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC[C@H](C)F)C1 ZINC001373614053 973519632 /nfs/dbraw/zinc/51/96/32/973519632.db2.gz VTSYAHNERZDPPV-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP Cc1cccnc1C[NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001418066382 973563050 /nfs/dbraw/zinc/56/30/50/973563050.db2.gz VYUZPYHPZPBTHC-HDJSIYSDSA-N 2 0 290.411 1.079 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001418090091 973576699 /nfs/dbraw/zinc/57/66/99/973576699.db2.gz ARXYYQSSURYDNU-ARKGTOAJSA-N 2 0 295.471 2.000 10 0 CDAERP CC[C@@H](C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1)OC ZINC001418097611 973584101 /nfs/dbraw/zinc/58/41/01/973584101.db2.gz OXXGHRUBWGTODN-LJISPDSOSA-N 2 0 297.443 1.133 10 0 CDAERP C[C@@H](C[NH2+]CCF)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001498053024 973649641 /nfs/dbraw/zinc/64/96/41/973649641.db2.gz DHACBEOOXDITKU-GXTWGEPZSA-N 2 0 285.407 1.457 10 0 CDAERP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]C/C=C\Cl ZINC001418262386 973703724 /nfs/dbraw/zinc/70/37/24/973703724.db2.gz PIDZJBPQAZQPSJ-DGMVEKRQSA-N 2 0 287.835 1.708 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+]CC=C(Cl)Cl ZINC001498153439 973715448 /nfs/dbraw/zinc/71/54/48/973715448.db2.gz NWBZEIJEPYFWPI-JTQLQIEISA-N 2 0 296.242 1.742 10 0 CDAERP CC/C=C/CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001498450749 973921738 /nfs/dbraw/zinc/92/17/38/973921738.db2.gz TUARLSVLJCEBRJ-MFHOCJEASA-N 2 0 281.444 1.731 10 0 CDAERP CCC[N@H+](C)CC(=O)NCCN(C)Cc1cnc(C)s1 ZINC001418517070 973921904 /nfs/dbraw/zinc/92/19/04/973921904.db2.gz SRPJDNCSSQAZGT-UHFFFAOYSA-N 2 0 298.456 1.341 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001374489786 973978051 /nfs/dbraw/zinc/97/80/51/973978051.db2.gz HAQKZTNXYFZWLV-RRFJBIMHSA-N 2 0 283.460 1.763 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001499264560 974225531 /nfs/dbraw/zinc/22/55/31/974225531.db2.gz ZPFGTGXUENPDQH-ZDUSSCGKSA-N 2 0 267.417 1.509 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001375428856 974377512 /nfs/dbraw/zinc/37/75/12/974377512.db2.gz ICGTZWLUQVCEBO-GFCCVEGCSA-N 2 0 285.407 1.457 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001375462460 974392817 /nfs/dbraw/zinc/39/28/17/974392817.db2.gz XLBPHUZMEJKRGR-KGLIPLIRSA-N 2 0 299.434 1.609 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001375542118 974417161 /nfs/dbraw/zinc/41/71/61/974417161.db2.gz MJSZCPCWWLTALE-AAVRWANBSA-N 2 0 285.407 1.313 10 0 CDAERP CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001500347492 974425836 /nfs/dbraw/zinc/42/58/36/974425836.db2.gz HFLMIPBRDWOROE-LZWOXQAQSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)[NH2+]C[C@@]1(C)CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001500393975 974430642 /nfs/dbraw/zinc/43/06/42/974430642.db2.gz QZDFORGKOIKNGA-MRXNPFEDSA-N 2 0 283.460 1.955 10 0 CDAERP C[NH+](C)CCC(=O)NCC[N@H+](CCO)C1CCCCCC1 ZINC001375594411 974431790 /nfs/dbraw/zinc/43/17/90/974431790.db2.gz JEIKHMKPLGZNOU-UHFFFAOYSA-N 2 0 299.459 1.071 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[NH+](CCCF)C1 ZINC001500481326 974442087 /nfs/dbraw/zinc/44/20/87/974442087.db2.gz BKDWDPODGFLHNM-GOEBONIOSA-N 2 0 299.434 1.659 10 0 CDAERP CN(C(=O)CCC[NH+](C)C)C1C[NH+](CCC(C)(C)C)C1 ZINC001375697525 974458140 /nfs/dbraw/zinc/45/81/40/974458140.db2.gz RSHIJTOAHXUOKE-UHFFFAOYSA-N 2 0 283.460 1.907 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[NH+](C(C)C)C2 ZINC001501012821 974510588 /nfs/dbraw/zinc/51/05/88/974510588.db2.gz DFXLVFBWKGEZAG-KKUMJFAQSA-N 2 0 281.444 1.704 10 0 CDAERP CCOCC[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CCC1 ZINC001501962089 974663956 /nfs/dbraw/zinc/66/39/56/974663956.db2.gz QYJARKRFAWOXPW-UHFFFAOYSA-N 2 0 297.443 1.136 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCF ZINC001376514185 974677866 /nfs/dbraw/zinc/67/78/66/974677866.db2.gz PPZYZDCFKFVPGA-KBPBESRZSA-N 2 0 285.407 1.363 10 0 CDAERP CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]CC1CC1)[NH+]1CCCC1 ZINC001376881126 974801696 /nfs/dbraw/zinc/80/16/96/974801696.db2.gz PDANOJBGADLBHB-UKRRQHHQSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH2+]CCC(C)(C)C)C2)C1 ZINC001376913396 974815418 /nfs/dbraw/zinc/81/54/18/974815418.db2.gz ZAQPJELOGHTHPM-CABCVRRESA-N 2 0 295.471 1.955 10 0 CDAERP Cc1nc(C)c(C[NH2+][C@@H](C)CCNC(=O)CC[NH+](C)C)o1 ZINC001377059822 974870998 /nfs/dbraw/zinc/87/09/98/974870998.db2.gz MMQFACGCYXHIIT-NSHDSACASA-N 2 0 296.415 1.228 10 0 CDAERP Cc1nc(C)c(C[NH2+][C@H](C)CCNC(=O)CC[NH+](C)C)o1 ZINC001377059821 974871391 /nfs/dbraw/zinc/87/13/91/974871391.db2.gz MMQFACGCYXHIIT-LLVKDONJSA-N 2 0 296.415 1.228 10 0 CDAERP C[C@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]C/C=C/Cl ZINC001377064092 974872551 /nfs/dbraw/zinc/87/25/51/974872551.db2.gz FAGZZPIVKJGWJB-QNTSXVQBSA-N 2 0 287.835 1.565 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NCC[C@@H](C)[NH2+]Cc1ccccn1 ZINC001377111715 974888379 /nfs/dbraw/zinc/88/83/79/974888379.db2.gz OVAUIAOBSPBBBT-CQSZACIVSA-N 2 0 292.427 1.406 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@H](CNC(=O)Cn2cncc2C)C1 ZINC001377445980 975029410 /nfs/dbraw/zinc/02/94/10/975029410.db2.gz OTKUIXFIKYWPKU-DZGCQCFKSA-N 2 0 292.427 1.676 10 0 CDAERP COCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001377661360 975103843 /nfs/dbraw/zinc/10/38/43/975103843.db2.gz XWBHECREIPNYTG-CABCVRRESA-N 2 0 297.443 1.040 10 0 CDAERP CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001506065861 975105751 /nfs/dbraw/zinc/10/57/51/975105751.db2.gz XMWKGMYNZFQULT-QWHCGFSZSA-N 2 0 255.406 1.317 10 0 CDAERP C[N@H+](CCCF)C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001377672423 975106203 /nfs/dbraw/zinc/10/62/03/975106203.db2.gz RGZNHUBNZZQHCS-KGLIPLIRSA-N 2 0 285.407 1.221 10 0 CDAERP COC[C@H](C)[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)C(C)C ZINC001377680289 975109693 /nfs/dbraw/zinc/10/96/93/975109693.db2.gz TYKZVGJFFDBPCP-GJZGRUSLSA-N 2 0 299.459 1.284 10 0 CDAERP C[C@@H]([NH2+]Cc1cccnc1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001377849511 975155466 /nfs/dbraw/zinc/15/54/66/975155466.db2.gz NGBDGNXVJWHTBS-OLZOCXBDSA-N 2 0 278.400 1.016 10 0 CDAERP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1ccc(F)cn1 ZINC001377856475 975157469 /nfs/dbraw/zinc/15/74/69/975157469.db2.gz XUZJKLVQJGJRGC-RYUDHWBXSA-N 2 0 296.390 1.155 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)Cc1ccccn1 ZINC001378017738 975208826 /nfs/dbraw/zinc/20/88/26/975208826.db2.gz FTCROVPXOCOZNQ-HIFRSBDPSA-N 2 0 290.411 1.112 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[N@H+](C)CCCF ZINC001378039041 975215370 /nfs/dbraw/zinc/21/53/70/975215370.db2.gz CYJCTGPHLBJEAV-JSGCOSHPSA-N 2 0 285.407 1.124 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCCC1 ZINC001378043766 975217680 /nfs/dbraw/zinc/21/76/80/975217680.db2.gz RVOWZHNRVGMVSI-HOTGVXAUSA-N 2 0 293.455 1.804 10 0 CDAERP CCC[N@H+](C)CCC(=O)NC[C@@H]1[C@H]2C[NH+](CC3CC3)C[C@H]21 ZINC001506825350 975228933 /nfs/dbraw/zinc/22/89/33/975228933.db2.gz KJEFMRVERBPXRV-PHZGNYQRSA-N 2 0 293.455 1.422 10 0 CDAERP CC(C)[NH2+]CCC[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001506924419 975262268 /nfs/dbraw/zinc/26/22/68/975262268.db2.gz WETUAIGMSFWJHL-HIFRSBDPSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC1CCCC1 ZINC001507080547 975329709 /nfs/dbraw/zinc/32/97/09/975329709.db2.gz ZABXULMUCGDTIL-SQWLQELKSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)[NH2+]Cc1ccc(CNC(=O)CC[NH+](C)C)cc1 ZINC001378462974 975356320 /nfs/dbraw/zinc/35/63/20/975356320.db2.gz JEPGLVGNMGHLET-UHFFFAOYSA-N 2 0 277.412 1.753 10 0 CDAERP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]C/C=C\Cl ZINC001507156593 975357445 /nfs/dbraw/zinc/35/74/45/975357445.db2.gz ZFIDEBYKSLXXEN-FOQNGQEVSA-N 2 0 273.808 1.271 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001507404815 975456284 /nfs/dbraw/zinc/45/62/84/975456284.db2.gz WVHYHJKXSSQBHY-HUUCEWRRSA-N 2 0 293.455 1.899 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@H]([NH2+]CC2CC2)C(C)(C)C1 ZINC001507443321 975473227 /nfs/dbraw/zinc/47/32/27/975473227.db2.gz OHZTURLCLANHIY-ZDUSSCGKSA-N 2 0 267.417 1.175 10 0 CDAERP CC(C)C[NH2+]C[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001378852423 975517725 /nfs/dbraw/zinc/51/77/25/975517725.db2.gz OZLHKLRINGGCPQ-CTYIDZIISA-N 2 0 281.444 1.469 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001397684261 975679251 /nfs/dbraw/zinc/67/92/51/975679251.db2.gz QJBZVZHYXWSZAI-SHTZXODSSA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001397819266 975731332 /nfs/dbraw/zinc/73/13/32/975731332.db2.gz XNCGJFGXMLMPSU-HNNXBMFYSA-N 2 0 283.460 1.907 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]CC1CCCC1 ZINC001379322260 975765719 /nfs/dbraw/zinc/76/57/19/975765719.db2.gz KUOZNIAFSZWKPA-AWEZNQCLSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H]([NH2+]CC1CC1)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001398203462 975887507 /nfs/dbraw/zinc/88/75/07/975887507.db2.gz JTADMNYOLAPWHS-UKRRQHHQSA-N 2 0 281.444 1.707 10 0 CDAERP CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001401778515 975903223 /nfs/dbraw/zinc/90/32/23/975903223.db2.gz XRZNFYVZXLECDS-HIFRSBDPSA-N 2 0 281.444 1.850 10 0 CDAERP CC(C)CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H]1C ZINC001379572279 975932583 /nfs/dbraw/zinc/93/25/83/975932583.db2.gz QNWVGJYJBFLGGG-CABCVRRESA-N 2 0 281.444 1.707 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CC1CC1 ZINC001401816506 975934210 /nfs/dbraw/zinc/93/42/10/975934210.db2.gz FTWUELAXLRDOFS-HIFRSBDPSA-N 2 0 281.444 1.707 10 0 CDAERP CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001401925848 976014201 /nfs/dbraw/zinc/01/42/01/976014201.db2.gz OIPYNOLMVJWICX-CABCVRRESA-N 2 0 281.444 1.707 10 0 CDAERP CCC(CC)C[NH+]1CC(N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001402049075 976099492 /nfs/dbraw/zinc/09/94/92/976099492.db2.gz SAFXIIVEJAIIOR-OAHLLOKOSA-N 2 0 283.460 1.905 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CCCF)[NH+](C)C ZINC001398779247 976144215 /nfs/dbraw/zinc/14/42/15/976144215.db2.gz WHWITTOJFUOKLJ-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@]1(C)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001402187093 976169708 /nfs/dbraw/zinc/16/97/08/976169708.db2.gz FNDGZOCZXWSXQG-HOCLYGCPSA-N 2 0 299.434 1.659 10 0 CDAERP C[C@@H](C[NH2+]CC1CCCCC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001406453945 976194675 /nfs/dbraw/zinc/19/46/75/976194675.db2.gz JEJJIWYJWSRSQN-ZFWWWQNUSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccccn1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001406482995 976216113 /nfs/dbraw/zinc/21/61/13/976216113.db2.gz HYZWQFFXIZWCON-DZGCQCFKSA-N 2 0 290.411 1.160 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1nc(C)cs1)[NH+](C)C ZINC001398987588 976277104 /nfs/dbraw/zinc/27/71/04/976277104.db2.gz VOXBRPKESPTBNK-ZYHUDNBSSA-N 2 0 298.456 1.386 10 0 CDAERP CCC(CC)C[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001406783175 976405841 /nfs/dbraw/zinc/40/58/41/976405841.db2.gz GZKLHMIVMWNIQY-CVEARBPZSA-N 2 0 295.471 1.859 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cscn2)C1 ZINC001402630822 976410427 /nfs/dbraw/zinc/41/04/27/976410427.db2.gz GTVSQUJPTDTRJW-TXEJJXNPSA-N 2 0 296.440 1.222 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCF)C1 ZINC001399284761 976411723 /nfs/dbraw/zinc/41/17/23/976411723.db2.gz VZZYTGPKMFPPEJ-CHWSQXEVSA-N 2 0 273.396 1.313 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001406936918 976484560 /nfs/dbraw/zinc/48/45/60/976484560.db2.gz QOCPDSYBPWFBHD-HZSPNIEDSA-N 2 0 299.434 1.703 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2C(C)C ZINC001407030837 976518899 /nfs/dbraw/zinc/51/88/99/976518899.db2.gz PXXHBJWBEOMRFW-GASCZTMLSA-N 2 0 281.444 1.800 10 0 CDAERP C[C@@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccns1 ZINC001402861237 976542680 /nfs/dbraw/zinc/54/26/80/976542680.db2.gz YNUURMPZBOWNTD-LBPRGKRZSA-N 2 0 296.440 1.223 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H]1C[NH2+]Cc1cncs1 ZINC001407121080 976562544 /nfs/dbraw/zinc/56/25/44/976562544.db2.gz OMFQXLDEPAHUKN-LBPRGKRZSA-N 2 0 296.440 1.175 10 0 CDAERP C[C@H](F)CC[NH2+][C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001402927989 976596988 /nfs/dbraw/zinc/59/69/88/976596988.db2.gz LFCKLEATUKZASR-STQMWFEESA-N 2 0 285.407 1.457 10 0 CDAERP O=C(C[NH+]1CCCC1)NCC1([NH2+]CC2CCC2)CCC1 ZINC001380896476 976597971 /nfs/dbraw/zinc/59/79/71/976597971.db2.gz MJESIPLZNCHEJT-UHFFFAOYSA-N 2 0 279.428 1.511 10 0 CDAERP C[NH+](C)CCCC(=O)N1CCC(C)([NH2+]CC2CC2)CC1 ZINC001381128681 976686097 /nfs/dbraw/zinc/68/60/97/976686097.db2.gz SORAKBBKHSHFEC-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CCC(CC)C[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001391103179 976691943 /nfs/dbraw/zinc/69/19/43/976691943.db2.gz ZOYPIXZDFDNGBL-HNNXBMFYSA-N 2 0 283.460 1.812 10 0 CDAERP CC[C@H](C)C[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001399895993 976728913 /nfs/dbraw/zinc/72/89/13/976728913.db2.gz KUPYIZNNJXOXSP-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP O=C(NCC1([NH2+]CCF)CCC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001407783954 976766930 /nfs/dbraw/zinc/76/69/30/976766930.db2.gz IKYVNOLLDRCFMB-KBPBESRZSA-N 2 0 297.418 1.601 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C)C1C[NH+](CC2CCCC2)C1)[NH+](C)C ZINC001381804201 977032798 /nfs/dbraw/zinc/03/27/98/977032798.db2.gz JIPIPRAWGIKLBX-CJNGLKHVSA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@H](C)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001381867622 977061544 /nfs/dbraw/zinc/06/15/44/977061544.db2.gz CVHCERDEOHYEBR-UONOGXRCSA-N 2 0 283.460 1.811 10 0 CDAERP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCCF)CC1(C)C)[NH+](C)C ZINC001381879980 977066211 /nfs/dbraw/zinc/06/62/11/977066211.db2.gz UVJZRCDJJHSDQE-QWHCGFSZSA-N 2 0 287.423 1.513 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]C[C@@H]1CCCCO1 ZINC001403630128 977113787 /nfs/dbraw/zinc/11/37/87/977113787.db2.gz WIJVIQQEDBBYJV-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)CC[N@H+](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001403749270 977172305 /nfs/dbraw/zinc/17/23/05/977172305.db2.gz KNUYTENWGRGSIX-AWEZNQCLSA-N 2 0 271.449 1.667 10 0 CDAERP CC[NH2+]C[C@H](C)N(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001392138848 977231828 /nfs/dbraw/zinc/23/18/28/977231828.db2.gz QMDPWPNSWRDRGE-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)CCOC ZINC001403866579 977235156 /nfs/dbraw/zinc/23/51/56/977235156.db2.gz LGKYTCUAXIJRPG-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@H]1[C@H]([NH2+]Cc2nccs2)CCN1C(=O)CC[NH+](C)C ZINC001382288221 977237929 /nfs/dbraw/zinc/23/79/29/977237929.db2.gz PXNACSZYEVABQL-NWDGAFQWSA-N 2 0 296.440 1.174 10 0 CDAERP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C ZINC001382368465 977266781 /nfs/dbraw/zinc/26/67/81/977266781.db2.gz LDBAPZPPAMVDCL-ZIAGYGMSSA-N 2 0 299.459 1.190 10 0 CDAERP CN(CC[N@H+](C)CC1CCC1)C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001392321604 977406725 /nfs/dbraw/zinc/40/67/25/977406725.db2.gz LOKCZWIWGNXLJG-KRWDZBQOSA-N 2 0 293.455 1.663 10 0 CDAERP C[NH+](C)CCC(=O)NC1(C)CC[NH+](C/C=C\Cl)CC1 ZINC001393063612 977691442 /nfs/dbraw/zinc/69/14/42/977691442.db2.gz CIGPKCWTLVKUBV-YWEYNIOJSA-N 2 0 287.835 1.661 10 0 CDAERP CCC1([NH2+]CC(C)C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001393678072 977892298 /nfs/dbraw/zinc/89/22/98/977892298.db2.gz AJDAXXKBRXADSB-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH+](C)CC1CCC1 ZINC001394073860 978050855 /nfs/dbraw/zinc/05/08/55/978050855.db2.gz KJSSVNMEBUTNNA-UKRRQHHQSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H](CNC(=O)[C@@H](C)CC[NH+](C)C)C[NH+]1CCCC1 ZINC001626178875 1163399028 /nfs/dbraw/zinc/39/90/28/1163399028.db2.gz MTWRRIWDQVWJBO-KGLIPLIRSA-N 2 0 269.433 1.422 10 0 CDAERP CC(C)[NH2+][C@H](C)[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001674720217 1173996190 /nfs/dbraw/zinc/99/61/90/1173996190.db2.gz AAZLCWMXHKCQCX-VXGBXAGGSA-N 2 0 255.406 1.219 10 0 CDAERP CC(C)[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001674930680 1174039104 /nfs/dbraw/zinc/03/91/04/1174039104.db2.gz BFCPEXLDNAMBMH-JHJVBQTASA-N 2 0 255.406 1.172 10 0 CDAERP CC(C)CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001570018985 1170059921 /nfs/dbraw/zinc/05/99/21/1170059921.db2.gz LNFJTADAYMSUGS-HZPDHXFCSA-N 2 0 295.471 1.812 10 0 CDAERP CCCC[NH2+]CC1(O)CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001570427040 1170155345 /nfs/dbraw/zinc/15/53/45/1170155345.db2.gz HMMZDKZXDSRNRC-UHFFFAOYSA-N 2 0 299.459 1.070 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)C ZINC001571639476 1170504295 /nfs/dbraw/zinc/50/42/95/1170504295.db2.gz ORXQUWJKBBMDGH-GFCCVEGCSA-N 2 0 257.422 1.467 10 0 CDAERP CCO[C@@]1(C)C[C@H]1[NH2+]C1CCN(CCCC(=O)OC)CC1 ZINC000600196635 341984586 /nfs/dbraw/zinc/98/45/86/341984586.db2.gz CAQQTIDYJYMIFO-ZBFHGGJFSA-N 2 0 298.427 1.561 10 0 CDAERP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000650758752 398181862 /nfs/dbraw/zinc/18/18/62/398181862.db2.gz XAQXUXXRLMMYTR-XJKSGUPXSA-N 3 0 261.413 1.978 10 0 CDAERP CC(C)N1CC[N@@H+](C(C)C)C[C@H]1CC1=[NH+]CCN1 ZINC000039171738 342551171 /nfs/dbraw/zinc/55/11/71/342551171.db2.gz BMQWUJMDPSSNQC-CYBMUJFWSA-N 2 0 252.406 1.181 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)CC[N@@H+]1C ZINC000601380357 342558499 /nfs/dbraw/zinc/55/84/99/342558499.db2.gz UISKTRQUNBHLKD-RFQIPJPRSA-N 2 0 299.484 1.221 10 0 CDAERP Cc1ncc2c(n1)CC[C@H]([NH2+][C@H]1CN(C)C[C@@H]1C)C2 ZINC000531691392 361780574 /nfs/dbraw/zinc/78/05/74/361780574.db2.gz XGPUGTWEDSCDNU-XEGUGMAKSA-N 2 0 260.385 1.182 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCOC2CCOCC2)C[C@H]1C ZINC000625214184 342041949 /nfs/dbraw/zinc/04/19/49/342041949.db2.gz ULAMHWIDWMRZNU-CABCVRRESA-N 2 0 284.444 1.987 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)CC[C@H]2CCCC[NH+]2C)C[N@@H+]1C1CC1 ZINC000354649959 365606248 /nfs/dbraw/zinc/60/62/48/365606248.db2.gz LDUZBZAHKLUATR-RBSFLKMASA-N 2 0 293.455 1.992 10 0 CDAERP CC[N@H+](CC(=O)NC[C@H]1CC[NH+]1C(C)(C)C)C1CC1 ZINC000617011633 342606657 /nfs/dbraw/zinc/60/66/57/342606657.db2.gz JJJRZYXBAMWJRJ-CYBMUJFWSA-N 2 0 267.417 1.460 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000617014402 342607914 /nfs/dbraw/zinc/60/79/14/342607914.db2.gz ITFUNIMOWXJGPW-ZIAGYGMSSA-N 2 0 281.444 1.850 10 0 CDAERP C[NH+](C)CCOc1ccc(CC[NH2+]Cc2cn[nH]c2)cc1 ZINC000591721640 342643066 /nfs/dbraw/zinc/64/30/66/342643066.db2.gz GLCBKDWBNANFME-UHFFFAOYSA-N 2 0 288.395 1.682 10 0 CDAERP C[NH+]1CCC2(CC1)CN(CCC(=O)OC(C)(C)C)CCO2 ZINC000592183695 342679640 /nfs/dbraw/zinc/67/96/40/342679640.db2.gz VSOBRVSYGPUJFN-UHFFFAOYSA-N 2 0 298.427 1.515 10 0 CDAERP COc1ccccc1/C=C\C[NH2+]CCOCCC[NH3+] ZINC000629397866 361929114 /nfs/dbraw/zinc/92/91/14/361929114.db2.gz FCMITVAWPXXCQM-DAXSKMNVSA-N 2 0 264.369 1.663 10 0 CDAERP Cn1c(C[NH2+]CCOCCC[NH3+])nc2cc(Cl)ccc21 ZINC000629399210 361935401 /nfs/dbraw/zinc/93/54/01/361935401.db2.gz DBKDSXGWYINJAR-UHFFFAOYSA-N 2 0 296.802 1.682 10 0 CDAERP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]CCOCCC[NH3+] ZINC000629399220 361935824 /nfs/dbraw/zinc/93/58/24/361935824.db2.gz DHGXMTULBQSAEW-CYBMUJFWSA-N 2 0 290.411 1.839 10 0 CDAERP Cc1cc(C[NH2+]CCOCCC[NH3+])ccc1-n1cncn1 ZINC000629400515 361938024 /nfs/dbraw/zinc/93/80/24/361938024.db2.gz ZXDLLDBZHZDOKF-UHFFFAOYSA-N 2 0 289.383 1.031 10 0 CDAERP C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000440940679 361950166 /nfs/dbraw/zinc/95/01/66/361950166.db2.gz IBOIBKLNIFGTCK-STQMWFEESA-N 2 0 253.390 1.119 10 0 CDAERP CC(C)[NH2+]CCC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000131613817 342235513 /nfs/dbraw/zinc/23/55/13/342235513.db2.gz BOGQZAQBLGKKRB-UHFFFAOYSA-N 2 0 278.400 1.066 10 0 CDAERP COC(=O)c1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c[nH]1 ZINC000594522283 342917475 /nfs/dbraw/zinc/91/74/75/342917475.db2.gz OXTQMCJZDLQTJR-KLPPZKSPSA-N 2 0 265.357 1.231 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](C)C1 ZINC000594693172 342942678 /nfs/dbraw/zinc/94/26/78/342942678.db2.gz MZQRDFSTJHQENV-KGLIPLIRSA-N 2 0 267.417 1.319 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000594921857 342987456 /nfs/dbraw/zinc/98/74/56/342987456.db2.gz UTPQRXOYNPFZDI-RBSFLKMASA-N 2 0 282.428 1.896 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000594923467 342988011 /nfs/dbraw/zinc/98/80/11/342988011.db2.gz YIOFOOZORBTOOO-RAIGVLPGSA-N 2 0 254.374 1.115 10 0 CDAERP C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000404959939 349778434 /nfs/dbraw/zinc/77/84/34/349778434.db2.gz PCIBECYXAQUBFJ-AGIUHOORSA-N 2 0 253.390 1.057 10 0 CDAERP C[NH+](C)C[C@@H]1CCCCN1C(=O)C[C@H]1CCC[NH2+]C1 ZINC000405055914 349779140 /nfs/dbraw/zinc/77/91/40/349779140.db2.gz YGMSDKWVFBHWEH-KGLIPLIRSA-N 2 0 267.417 1.319 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000629514730 362130162 /nfs/dbraw/zinc/13/01/62/362130162.db2.gz TYHKTWRDRSOKSG-CVEARBPZSA-N 2 0 278.396 1.471 10 0 CDAERP CC(C)[NH2+]CCC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000645104891 362118530 /nfs/dbraw/zinc/11/85/30/362118530.db2.gz TZLMWOCSZLRERO-UONOGXRCSA-N 2 0 267.417 1.365 10 0 CDAERP [NH3+]C1(C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)CCOCC1 ZINC000629523709 362139783 /nfs/dbraw/zinc/13/97/83/362139783.db2.gz IFZWUZCITRDQKO-QLFBSQMISA-N 2 0 282.428 1.679 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000629529231 362154653 /nfs/dbraw/zinc/15/46/53/362154653.db2.gz WFMLDRCRTSCJMT-JTQLQIEISA-N 2 0 258.312 1.851 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000629529983 362162002 /nfs/dbraw/zinc/16/20/02/362162002.db2.gz RZHVTPREEGVAPX-KRWDZBQOSA-N 2 0 285.391 1.997 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000054292404 343791655 /nfs/dbraw/zinc/79/16/55/343791655.db2.gz BSWBAMOAYFRFTL-UONOGXRCSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)CC2([NH3+])CCCCC2)C1 ZINC000084183863 178818188 /nfs/dbraw/zinc/81/81/88/178818188.db2.gz DPGFQKSYPDVSBT-AWEZNQCLSA-N 2 0 281.444 1.885 10 0 CDAERP CC(C)C[N@H+](CCCC[C@@](C)(O)C[NH3+])CCN(C)C ZINC000085300689 179010039 /nfs/dbraw/zinc/01/00/39/179010039.db2.gz ITGKVAYWJMKPID-OAHLLOKOSA-N 2 0 273.465 1.386 10 0 CDAERP FC1(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)CC1 ZINC000571538934 362676641 /nfs/dbraw/zinc/67/66/41/362676641.db2.gz VUGDRNHAIJVCSU-ZDUSSCGKSA-N 2 0 256.365 1.533 10 0 CDAERP C[NH+](C)CCN(C(=O)[C@@H]1CCCC[C@@H]1[NH3+])C1CCCC1 ZINC000085369382 179039396 /nfs/dbraw/zinc/03/93/96/179039396.db2.gz GSSVEPSXERJHLV-CABCVRRESA-N 2 0 281.444 1.837 10 0 CDAERP [NH3+][C@@H]1COC[C@H]1C[NH2+]Cc1ccc(Br)s1 ZINC000085376317 179044428 /nfs/dbraw/zinc/04/44/28/179044428.db2.gz PJVNOTVMAUCVJP-VXNVDRBHSA-N 2 0 291.214 1.574 10 0 CDAERP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623442999 346757825 /nfs/dbraw/zinc/75/78/25/346757825.db2.gz LEEWQYJJRXLBMT-GJZGRUSLSA-N 3 0 285.476 1.806 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000449826164 362775063 /nfs/dbraw/zinc/77/50/63/362775063.db2.gz QVTXZLSOJATURP-HOTGVXAUSA-N 2 0 293.455 1.994 10 0 CDAERP CC(C)C(=O)NCCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623474277 347407786 /nfs/dbraw/zinc/40/77/86/347407786.db2.gz XAEADYWOZWSUSH-ZDUSSCGKSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086182681 179248073 /nfs/dbraw/zinc/24/80/73/179248073.db2.gz GTFNBTUIBGACPE-BPLDGKMQSA-N 2 0 265.445 1.789 10 0 CDAERP C[C@H]1C[NH2+][C@H](C(C)(C)C)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223155 179251769 /nfs/dbraw/zinc/25/17/69/179251769.db2.gz DWTXHZJNVWTQGQ-MJBXVCDLSA-N 2 0 253.434 1.647 10 0 CDAERP CC[C@@H]1C[NH2+]C(C)(C)CN1C[C@@H]1CCC[N@H+](C)C1 ZINC000086259283 179258538 /nfs/dbraw/zinc/25/85/38/179258538.db2.gz CEYXMDWMOGYBFC-ZIAGYGMSSA-N 2 0 253.434 1.791 10 0 CDAERP C[C@H]1C[N@H+](CCCN[C@H]2CC[NH+](C)C(C)(C)C2)CCCO1 ZINC000623507398 347608559 /nfs/dbraw/zinc/60/85/59/347608559.db2.gz HDZGTQGESWUCQB-HOTGVXAUSA-N 2 0 297.487 1.950 10 0 CDAERP [NH3+]C/C=C\CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000641862807 365948384 /nfs/dbraw/zinc/94/83/84/365948384.db2.gz SEQZPHOIOSKLDA-PYLYLYNFSA-N 2 0 280.416 1.161 10 0 CDAERP [NH3+]C/C=C/CNC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000641870027 365954794 /nfs/dbraw/zinc/95/47/94/365954794.db2.gz MSYVCBKNFOFSPV-SNAWJCMRSA-N 2 0 280.416 1.161 10 0 CDAERP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc3c(c2)oc(=O)n3C)C1 ZINC000352151881 362910959 /nfs/dbraw/zinc/91/09/59/362910959.db2.gz WOPJWBWYQOOYNG-ZDUSSCGKSA-N 2 0 289.379 1.563 10 0 CDAERP C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc(C[NH+](C)C)nc1 ZINC000615302188 348429826 /nfs/dbraw/zinc/42/98/26/348429826.db2.gz BYTZXVFINUAKSB-SWLSCSKDSA-N 2 0 290.411 1.308 10 0 CDAERP COc1c(CNC[C@@H]2CCCC[N@H+](C)C2)c(C)nn1C ZINC000623655674 349319648 /nfs/dbraw/zinc/31/96/48/349319648.db2.gz BLGIBTMBUBECOE-ZDUSSCGKSA-N 2 0 280.416 1.559 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H]2CCC[N@H+](C)C2)C1 ZINC000073812127 350047493 /nfs/dbraw/zinc/04/74/93/350047493.db2.gz ZHVROZAOBHKECX-UONOGXRCSA-N 2 0 282.432 1.206 10 0 CDAERP [NH3+]Cc1cc(C(=O)N2CCCc3cc(C[NH3+])ccc32)co1 ZINC000364607344 358455589 /nfs/dbraw/zinc/45/55/89/358455589.db2.gz YRCHIUHFDMIADX-UHFFFAOYSA-N 2 0 285.347 1.790 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000629536730 362950875 /nfs/dbraw/zinc/95/08/75/362950875.db2.gz HDBTYCRFVNVBPL-HNNXBMFYSA-N 2 0 263.385 1.878 10 0 CDAERP CCOC(=O)C[C@@H](O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000167009719 362953452 /nfs/dbraw/zinc/95/34/52/362953452.db2.gz MDJULBNUZYDSOR-OAHLLOKOSA-N 2 0 298.427 1.108 10 0 CDAERP COC[C@@H]([NH2+]CCOCCC[NH3+])c1ccc(Cl)cc1 ZINC000629540776 362963461 /nfs/dbraw/zinc/96/34/61/362963461.db2.gz XLUMWGUWECPOTB-CQSZACIVSA-N 2 0 286.803 1.983 10 0 CDAERP CC1(C)CC(C[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000629547115 362974240 /nfs/dbraw/zinc/97/42/40/362974240.db2.gz RMDMDHRQJWXUDL-UHFFFAOYSA-N 2 0 294.443 1.065 10 0 CDAERP Cn1c2cc(C[NH2+][C@@H]3CCCC[C@H]3C[NH3+])ccc2oc1=O ZINC000629547497 362974800 /nfs/dbraw/zinc/97/48/00/362974800.db2.gz KMONKGMWTZMIMP-QWHCGFSZSA-N 2 0 289.379 1.739 10 0 CDAERP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC[NH2+]1 ZINC000414706534 366008951 /nfs/dbraw/zinc/00/89/51/366008951.db2.gz YCVJLRIYDDXOGK-OWCLPIDISA-N 2 0 293.455 1.709 10 0 CDAERP C[C@H]([NH3+])CCNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000621825991 350794730 /nfs/dbraw/zinc/79/47/30/350794730.db2.gz SMEVFNIXKBGNAC-JTQLQIEISA-N 2 0 274.328 1.126 10 0 CDAERP O[C@@H]1CCN(CC[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)C1 ZINC000623758624 351270593 /nfs/dbraw/zinc/27/05/93/351270593.db2.gz JBOYXJPNPLUMHW-KLHDSHLOSA-N 2 0 282.428 1.238 10 0 CDAERP O[C@@H](C[NH2+][C@H]1CCOC2(CCCC2)C1)C[NH+]1CCCC1 ZINC000629572277 363027913 /nfs/dbraw/zinc/02/79/13/363027913.db2.gz YTDIXXMLVFIQKD-GJZGRUSLSA-N 2 0 282.428 1.525 10 0 CDAERP [NH3+]C[C@@H]1CCCN(C[C@@H]2CC[NH2+]C2)[C@@H]1C(F)(F)F ZINC000629582254 363046637 /nfs/dbraw/zinc/04/66/37/363046637.db2.gz RBZRISMBWHNCAH-VWYCJHECSA-N 2 0 265.323 1.198 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CC[C@@H]1CCCCO1)C2 ZINC000629592419 363102614 /nfs/dbraw/zinc/10/26/14/363102614.db2.gz CKKKOCAKNOSHSR-SOUVJXGZSA-N 2 0 252.402 1.877 10 0 CDAERP C[C@]1(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)C[C@H]2C[C@H]2C1 ZINC000629602219 363159516 /nfs/dbraw/zinc/15/95/16/363159516.db2.gz HUUASXPNBDITEM-BARDWOONSA-N 2 0 252.402 1.469 10 0 CDAERP C[N@@H+](Cc1ccccc1)C[C@H](O)CNC[C@@H]1CCC[NH+]1C ZINC000629611724 363201702 /nfs/dbraw/zinc/20/17/02/363201702.db2.gz CJWWTZRSCMPISQ-DLBZAZTESA-N 2 0 291.439 1.163 10 0 CDAERP [NH3+][C@@H]1CC[C@@H]2CN(c3cc(N4CCCC4)ncn3)C[C@H]12 ZINC000333924618 363225771 /nfs/dbraw/zinc/22/57/71/363225771.db2.gz TUZRVXVOKPTJMU-FRRDWIJNSA-N 2 0 273.384 1.250 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1Nc1cc(N2CCSCC2)ncn1 ZINC000333930508 363232147 /nfs/dbraw/zinc/23/21/47/363232147.db2.gz ZEYIINPYJLPGQW-NEPJUHHUSA-N 2 0 293.440 1.440 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000454625822 252356369 /nfs/dbraw/zinc/35/63/69/252356369.db2.gz UXWJOZMVKJPWIF-HZSPNIEDSA-N 2 0 282.432 1.062 10 0 CDAERP C[N@H+](CCCC[NH2+][C@H]1CCC(=O)NC1(C)C)C1CC1 ZINC000453390129 363298394 /nfs/dbraw/zinc/29/83/94/363298394.db2.gz CXZFETBZZJRHDW-ZDUSSCGKSA-N 2 0 267.417 1.508 10 0 CDAERP CC(C)[NH+]1CCC(N(C)C(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000232642155 140223570 /nfs/dbraw/zinc/22/35/70/140223570.db2.gz QXHNXBQDABUZMW-KBPBESRZSA-N 2 0 281.444 1.706 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CC[C@H](O)C(F)(F)F)CC1(C)C ZINC000628278931 363365859 /nfs/dbraw/zinc/36/58/59/363365859.db2.gz MTCYTSGVJKXUAS-ZJUUUORDSA-N 2 0 268.323 1.762 10 0 CDAERP COc1c(C[NH2+]CC2=CC[N@H+](C)CC2)c(C)nn1C ZINC000271888404 191392345 /nfs/dbraw/zinc/39/23/45/191392345.db2.gz NYVHFOXBYYWTEQ-UHFFFAOYSA-N 2 0 264.373 1.089 10 0 CDAERP CCC[C@H]([NH3+])C(=O)NC1CCN(c2ccccn2)CC1 ZINC000037008459 356306123 /nfs/dbraw/zinc/30/61/23/356306123.db2.gz PVAZDZOVTKLMEU-ZDUSSCGKSA-N 2 0 276.384 1.294 10 0 CDAERP C[NH+](C)[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1(C)C ZINC000636093711 363495036 /nfs/dbraw/zinc/49/50/36/363495036.db2.gz YPXDJLUIMUAYII-AVGNSLFASA-N 2 0 267.417 1.316 10 0 CDAERP COC[C@@H]1CC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000211973858 356581667 /nfs/dbraw/zinc/58/16/67/356581667.db2.gz GWBSZUSOOQAZLY-CQSZACIVSA-N 2 0 260.381 1.801 10 0 CDAERP CC(C)(C)[C@@H]([NH3+])CCNc1ccnn1C1C[NH2+]C1 ZINC000725258157 538452837 /nfs/dbraw/zinc/45/28/37/538452837.db2.gz JBLASIXVSJRFQS-NSHDSACASA-N 2 0 251.378 1.203 10 0 CDAERP C[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)CC1CCCC1 ZINC001660395311 1172208168 /nfs/dbraw/zinc/20/81/68/1172208168.db2.gz GRQCFQUWHQNWLK-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1cncs1 ZINC001660395172 1172209127 /nfs/dbraw/zinc/20/91/27/1172209127.db2.gz BBCDFUIZMLRSTA-GFCCVEGCSA-N 2 0 296.440 1.033 10 0 CDAERP [NH3+]CCCC[NH+]1CCN(CCCc2ccccc2)CC1 ZINC000019852856 356735904 /nfs/dbraw/zinc/73/59/04/356735904.db2.gz KAANMJJXMDCTFH-UHFFFAOYSA-N 2 0 275.440 1.976 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000070317018 356883544 /nfs/dbraw/zinc/88/35/44/356883544.db2.gz PJLOUKWPZWSJJJ-ZDUSSCGKSA-N 2 0 267.417 1.448 10 0 CDAERP CC(C)[NH+]1CCN(CCC[NH2+]C2(CCO)CCCC2)CC1 ZINC000643611476 356895677 /nfs/dbraw/zinc/89/56/77/356895677.db2.gz RWEOFYLQMXDWKN-UHFFFAOYSA-N 2 0 297.487 1.687 10 0 CDAERP COc1ccc(C[NH2+]CCCC[NH+](C)C)cc1O ZINC000045598389 357125693 /nfs/dbraw/zinc/12/56/93/357125693.db2.gz TWQHKZUBOSLBMT-UHFFFAOYSA-N 2 0 252.358 1.832 10 0 CDAERP CC1(C)[C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)[C@@H]2CCO[C@@H]21 ZINC000085635220 357219198 /nfs/dbraw/zinc/21/91/98/357219198.db2.gz MNLBCRMPOXCBJX-MHEUCROKSA-N 2 0 264.413 1.874 10 0 CDAERP C[NH+](C)C1CCC([NH2+]C[C@@H](O)C[C@](C)(O)C2CC2)CC1 ZINC000634716939 357427680 /nfs/dbraw/zinc/42/76/80/357427680.db2.gz BTZCOTMHGUKKCU-CKUJCDMFSA-N 2 0 284.444 1.361 10 0 CDAERP C[C@H]([NH2+]C[C@H](O)C[C@](C)(O)C1CC1)C(C)(C)C[NH+](C)C ZINC000634705983 357380636 /nfs/dbraw/zinc/38/06/36/357380636.db2.gz JAUUDCZIRUNZEA-BJJXKVORSA-N 2 0 286.460 1.464 10 0 CDAERP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CC1([NH3+])CCC1 ZINC000094446981 482786107 /nfs/dbraw/zinc/78/61/07/482786107.db2.gz BKIJSCFICNRZLF-QWHCGFSZSA-N 2 0 265.401 1.343 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000352741279 283317835 /nfs/dbraw/zinc/31/78/35/283317835.db2.gz WVFZDJAUEYKSGZ-UHFFFAOYSA-N 2 0 296.459 1.502 10 0 CDAERP CCC[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+](C)C ZINC000162375895 358842636 /nfs/dbraw/zinc/84/26/36/358842636.db2.gz XDMXALPBPXEBTL-HZSPNIEDSA-N 2 0 267.417 1.412 10 0 CDAERP CC[NH+](CC)CCN(CCOC)C[C@@]1(C)CC[NH2+]C1 ZINC000261902773 359083768 /nfs/dbraw/zinc/08/37/68/359083768.db2.gz WJZDATDFFRZCIB-HNNXBMFYSA-N 2 0 271.449 1.276 10 0 CDAERP C[C@@]1([NH3+])CCCC[C@H]1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261912523 359087186 /nfs/dbraw/zinc/08/71/86/359087186.db2.gz XTWNRLCJVNPNPV-KNCOVGOOSA-N 2 0 279.428 1.352 10 0 CDAERP C[C@@H]1CC[C@@H](O)C[N@@H+]1C[C@H](O)CN(C)Cc1ccccc1 ZINC000643254933 359244587 /nfs/dbraw/zinc/24/45/87/359244587.db2.gz SCSNAGOXALZLIV-DJIMGWMZSA-N 2 0 292.423 1.325 10 0 CDAERP Cc1c(C[NH2+]CCC2CC[NH+](C)CC2)cnn1C ZINC000160146068 237170260 /nfs/dbraw/zinc/17/02/60/237170260.db2.gz QBMDQEQLVZBHAN-UHFFFAOYSA-N 2 0 250.390 1.550 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc2c(c1)COC2 ZINC000422987836 359701435 /nfs/dbraw/zinc/70/14/35/359701435.db2.gz HLZVNQCLCPLHRW-HNNXBMFYSA-N 2 0 264.369 1.560 10 0 CDAERP CC[C@@H](C[NH2+][C@@H](CCC[NH3+])COC)N1CCCC1 ZINC000422967409 359725225 /nfs/dbraw/zinc/72/52/25/359725225.db2.gz SZXCKHGCMJKQNT-KBPBESRZSA-N 2 0 257.422 1.204 10 0 CDAERP CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000423393235 359785212 /nfs/dbraw/zinc/78/52/12/359785212.db2.gz MCPCCZBNNCEOPI-FRRDWIJNSA-N 2 0 255.406 1.221 10 0 CDAERP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423261555 359760767 /nfs/dbraw/zinc/76/07/67/359760767.db2.gz SLMWGTSIJTWXOC-IPYPFGDCSA-N 2 0 251.418 1.448 10 0 CDAERP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CNCCO1)CCCO2 ZINC000423520405 359839511 /nfs/dbraw/zinc/83/95/11/359839511.db2.gz KGUVBZYECUPBSF-HIFRSBDPSA-N 2 0 276.380 1.787 10 0 CDAERP CO[C@H](C)[C@@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423521819 359840410 /nfs/dbraw/zinc/84/04/10/359840410.db2.gz UBBCNEREXBMENZ-LMRVLLHPSA-N 2 0 269.433 1.216 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000336833567 359920665 /nfs/dbraw/zinc/92/06/65/359920665.db2.gz CPOBGALIPBGNGP-IAGOWNOFSA-N 2 0 295.471 1.515 10 0 CDAERP C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000335405125 360225315 /nfs/dbraw/zinc/22/53/15/360225315.db2.gz AQOABLJRSQMJTE-JSGCOSHPSA-N 2 0 265.401 1.249 10 0 CDAERP C[NH+](C)Cc1ccc(C(=O)N2CCC3(CC[NH2+]3)CC2)cc1 ZINC000335405699 360225431 /nfs/dbraw/zinc/22/54/31/360225431.db2.gz FYBDOTWLLIVBBH-UHFFFAOYSA-N 2 0 287.407 1.716 10 0 CDAERP COCC[N@H+](C)CCC[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000628202193 360241213 /nfs/dbraw/zinc/24/12/13/360241213.db2.gz KRYMGUWHKRLAIC-NSHDSACASA-N 2 0 264.360 1.978 10 0 CDAERP [NH3+][C@H](C(=O)N1CCC2(CC[NH2+]2)CC1)c1ccccc1 ZINC000335419545 360246601 /nfs/dbraw/zinc/24/66/01/360246601.db2.gz VBZYMFILWZEKBZ-ZDUSSCGKSA-N 2 0 259.353 1.041 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000337705261 360358013 /nfs/dbraw/zinc/35/80/13/360358013.db2.gz ZNSUGCMLEMZTBE-LBPRGKRZSA-N 2 0 265.401 1.071 10 0 CDAERP O=S1(=O)CCC[C@H]([NH2+][C@H]2CCN3CCCC[C@@H]23)CC1 ZINC000634952475 360546260 /nfs/dbraw/zinc/54/62/60/360546260.db2.gz AANDATRSCQSTDU-IHRRRGAJSA-N 2 0 286.441 1.170 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000626934394 360654336 /nfs/dbraw/zinc/65/43/36/360654336.db2.gz YGNGLVRTHOEWTO-YNEHKIRRSA-N 2 0 270.421 1.156 10 0 CDAERP C[C@H]1CC[C@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)C[NH2+]1 ZINC000626921886 360629413 /nfs/dbraw/zinc/62/94/13/360629413.db2.gz QGSMOXKNRLKVHG-KBPBESRZSA-N 2 0 296.459 1.691 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)C[NH2+]1 ZINC000626921887 360629525 /nfs/dbraw/zinc/62/95/25/360629525.db2.gz QGSMOXKNRLKVHG-KGLIPLIRSA-N 2 0 296.459 1.691 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000626947011 360685786 /nfs/dbraw/zinc/68/57/86/360685786.db2.gz IUAHBCKYDMUUDQ-APIJFGDWSA-N 2 0 296.459 1.547 10 0 CDAERP C[NH+](C)CC1CCC([NH2+]Cc2ccc(=O)[nH]c2)CC1 ZINC000631100111 360705290 /nfs/dbraw/zinc/70/52/90/360705290.db2.gz SWJSBXMABRXXKW-UHFFFAOYSA-N 2 0 263.385 1.997 10 0 CDAERP Cc1cnc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)o1 ZINC000639304248 361031259 /nfs/dbraw/zinc/03/12/59/361031259.db2.gz ROJISAOJTNBDMO-UHFFFAOYSA-N 2 0 293.411 1.964 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1C1CCCC1 ZINC000628966174 361362244 /nfs/dbraw/zinc/36/22/44/361362244.db2.gz XGLALTMTIDRHDK-CQSZACIVSA-N 2 0 267.417 1.461 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NC(C)(C)C[NH+](C)C ZINC000458349613 364155293 /nfs/dbraw/zinc/15/52/93/364155293.db2.gz XKADMRYXONJCOG-KBPBESRZSA-N 2 0 298.475 1.889 10 0 CDAERP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000122122689 370747328 /nfs/dbraw/zinc/74/73/28/370747328.db2.gz IMEOZIFBFGKQHJ-GJZGRUSLSA-N 2 0 298.475 1.748 10 0 CDAERP O=C1NCC[C@H]1[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000178914074 364957139 /nfs/dbraw/zinc/95/71/39/364957139.db2.gz HPGAXIRLHFHLIY-OAHLLOKOSA-N 2 0 279.428 1.463 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)C1(C)C ZINC000181559885 365031344 /nfs/dbraw/zinc/03/13/44/365031344.db2.gz FZTKWSGIPINOPP-SOUVJXGZSA-N 2 0 284.444 1.626 10 0 CDAERP CC[C@H](Cn1cncn1)[NH2+]CCC[NH+]1CCCC1 ZINC000353387215 365175740 /nfs/dbraw/zinc/17/57/40/365175740.db2.gz NTJFXQDAAIPNKG-CYBMUJFWSA-N 2 0 251.378 1.132 10 0 CDAERP Cc1nccn1CC[N@H+](C[C@H]1CCC(=O)N1)C(C)C ZINC000566665297 370785807 /nfs/dbraw/zinc/78/58/07/370785807.db2.gz LUVAPIAGIYDAQK-CYBMUJFWSA-N 2 0 264.373 1.181 10 0 CDAERP C[C@@H](NC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)[C@H](C)[NH3+] ZINC000417027043 296081086 /nfs/dbraw/zinc/08/10/86/296081086.db2.gz ZLVIWOMMDXAREW-SCRDCRAPSA-N 2 0 284.448 1.532 10 0 CDAERP CN(C)c1cc[nH+]cc1C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000353757828 365374642 /nfs/dbraw/zinc/37/46/42/365374642.db2.gz ZYGVBIQRNYLMLU-CQSZACIVSA-N 2 0 276.384 1.218 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNCc1cnc(N(C)C)n1C ZINC000414329450 241155857 /nfs/dbraw/zinc/15/58/57/241155857.db2.gz DCUOGNFYSHTRPL-KBPBESRZSA-N 2 0 293.459 1.839 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000136425107 482918196 /nfs/dbraw/zinc/91/81/96/482918196.db2.gz VMBBTPSPDXUCAO-LSDHHAIUSA-N 2 0 277.412 1.779 10 0 CDAERP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1ccc(CO)c(F)c1 ZINC000415091172 241557658 /nfs/dbraw/zinc/55/76/58/241557658.db2.gz PUGYETSPWRNTOS-BXUZGUMPSA-N 2 0 266.360 1.938 10 0 CDAERP CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000626997909 367219006 /nfs/dbraw/zinc/21/90/06/367219006.db2.gz FYROULJOOMZQGI-MGPQQGTHSA-N 2 0 282.432 1.301 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000357860147 367262110 /nfs/dbraw/zinc/26/21/10/367262110.db2.gz OGGYOVGNRBRUSA-GPANFISMSA-N 2 0 293.455 1.994 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000417232655 242370813 /nfs/dbraw/zinc/37/08/13/242370813.db2.gz QBDWUVZYQJPITF-STQMWFEESA-N 2 0 278.400 1.153 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C[NH2+]1 ZINC000627205733 367703282 /nfs/dbraw/zinc/70/32/82/367703282.db2.gz CVKCXCBQVKLYSN-VHDGCEQUSA-N 2 0 294.443 1.301 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C[NH2+]1 ZINC000627198146 367687809 /nfs/dbraw/zinc/68/78/09/367687809.db2.gz RTRRMKMKYLPFEI-RBSFLKMASA-N 2 0 294.443 1.397 10 0 CDAERP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627198363 367687854 /nfs/dbraw/zinc/68/78/54/367687854.db2.gz KOYHITDWGIAYQX-RDBSUJKOSA-N 2 0 282.432 1.109 10 0 CDAERP [NH3+][C@H](CNC(=O)NCCC[NH2+]C1CC1)c1ccccc1 ZINC000418290899 242903297 /nfs/dbraw/zinc/90/32/97/242903297.db2.gz UKWKXKJNSUQRTM-CQSZACIVSA-N 2 0 276.384 1.128 10 0 CDAERP [NH3+]C1(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)CCCCC1 ZINC000366626210 368368281 /nfs/dbraw/zinc/36/82/81/368368281.db2.gz AYQDUXBLJDWBGE-ZIAGYGMSSA-N 2 0 279.428 1.639 10 0 CDAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000418565064 243218537 /nfs/dbraw/zinc/21/85/37/243218537.db2.gz XTLPLKMAMAKJQC-ZFWWWQNUSA-N 2 0 296.459 1.500 10 0 CDAERP CCCN(CC[NH+]1CCCC1)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000418583037 243237786 /nfs/dbraw/zinc/23/77/86/243237786.db2.gz WHKBQWVUSMMUDB-GJZGRUSLSA-N 2 0 296.459 1.502 10 0 CDAERP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H](C)CCC[NH3+])CC2 ZINC000418683018 243337807 /nfs/dbraw/zinc/33/78/07/243337807.db2.gz FSLWBCPRWPAFKN-ZNMIVQPWSA-N 2 0 296.459 1.771 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)N[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000418701293 243353028 /nfs/dbraw/zinc/35/30/28/243353028.db2.gz PHGPUELNHYAONS-NEPJUHHUSA-N 2 0 270.421 1.238 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000418726071 243379302 /nfs/dbraw/zinc/37/93/02/243379302.db2.gz OIEAKRGGPWXTMJ-VXGBXAGGSA-N 2 0 282.388 1.089 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])NC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000567266623 370939772 /nfs/dbraw/zinc/93/97/72/370939772.db2.gz CMWBMMPKHQRNDE-UONOGXRCSA-N 2 0 292.427 1.325 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)C1 ZINC000567289502 370944638 /nfs/dbraw/zinc/94/46/38/370944638.db2.gz MDNJNTFQLMXIPD-ILXRZTDVSA-N 2 0 279.428 1.413 10 0 CDAERP CC[NH+](C/C=C\C[N@@H+](CC)[C@H]1CCOC1)[C@@H]1CCOC1 ZINC000361587975 368918375 /nfs/dbraw/zinc/91/83/75/368918375.db2.gz CWAYFIDRNLOALL-HNXFAEETSA-N 2 0 282.428 1.764 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCn2ccnc2)[C@H]2CCC[C@H]21 ZINC000367611334 369198928 /nfs/dbraw/zinc/19/89/28/369198928.db2.gz BRKXQIFLWSKIOB-QLFBSQMISA-N 2 0 262.401 1.736 10 0 CDAERP C[NH+]1CCC(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000367591021 369193953 /nfs/dbraw/zinc/19/39/53/369193953.db2.gz XPHCEIKEJWKQPA-XHSDSOJGSA-N 3 0 265.445 1.791 10 0 CDAERP CN(C)c1ncc(C[N@H+](C)CC[C@H]2CCC[NH2+]C2)cn1 ZINC000420377585 244170745 /nfs/dbraw/zinc/17/07/45/244170745.db2.gz SRADPFMLVNYXAH-CYBMUJFWSA-N 2 0 277.416 1.364 10 0 CDAERP CCCCNC(=O)CC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420384597 244182221 /nfs/dbraw/zinc/18/22/21/244182221.db2.gz UGZVATYZAYWEIJ-OAHLLOKOSA-N 2 0 267.417 1.368 10 0 CDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)CCC1C[NH2+]C1 ZINC000638300905 369286067 /nfs/dbraw/zinc/28/60/67/369286067.db2.gz HIANXTMVCLWYPL-CQSZACIVSA-N 2 0 289.423 1.623 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000368260444 369413993 /nfs/dbraw/zinc/41/39/93/369413993.db2.gz QSAMDNIONMQODJ-DOMZBBRYSA-N 2 0 287.423 1.655 10 0 CDAERP CN(C(=O)C(C)(C)C[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309767575 370957699 /nfs/dbraw/zinc/95/76/99/370957699.db2.gz GRRFMKBDQXAFRX-OAHLLOKOSA-N 2 0 289.423 1.704 10 0 CDAERP CN(CC(=O)NC1CCCCC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000118843173 369903832 /nfs/dbraw/zinc/90/38/32/369903832.db2.gz IOKGLILWUBINCB-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+]3CCC[C@H]3C2)CC[N@@H+]1C ZINC000630762908 369980538 /nfs/dbraw/zinc/98/05/38/369980538.db2.gz QCVGZTPJYHPLKP-ZQDZILKHSA-N 2 0 279.428 1.460 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)[N@H+](C)C1CC1 ZINC000246544936 370080466 /nfs/dbraw/zinc/08/04/66/370080466.db2.gz SOZGEVACIHKALR-UXOAXIEHSA-N 2 0 279.428 1.506 10 0 CDAERP CC[C@@](C)(O)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000249173650 370128010 /nfs/dbraw/zinc/12/80/10/370128010.db2.gz YARVNYFPINAIJU-DZGCQCFKSA-N 2 0 272.433 1.172 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)C[NH+]1CCCC1 ZINC000251137352 370199117 /nfs/dbraw/zinc/19/91/17/370199117.db2.gz VRHDNJIWMUFBRR-QXSJWSMHSA-N 2 0 293.455 1.755 10 0 CDAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCCCC[N@H+](C)C1CC1 ZINC000418267228 370373679 /nfs/dbraw/zinc/37/36/79/370373679.db2.gz OCVNTCMZOLYXIK-GXTWGEPZSA-N 2 0 282.432 1.158 10 0 CDAERP C[NH2+]CCc1ccccc1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000422534175 245097453 /nfs/dbraw/zinc/09/74/53/245097453.db2.gz AECSQVNLEGADDN-GASCZTMLSA-N 2 0 287.407 1.415 10 0 CDAERP C[NH+]1CCC(CC[NH2+][C@H](C2CC2)[C@H]2CNCCO2)CC1 ZINC000422734014 245193138 /nfs/dbraw/zinc/19/31/38/245193138.db2.gz BXQUULWYQUXQKQ-HZPDHXFCSA-N 2 0 281.444 1.075 10 0 CDAERP COC(=O)[C@@H](CC(C)C)[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000567515975 371017525 /nfs/dbraw/zinc/01/75/25/371017525.db2.gz PIXRUVPNQHTJLW-CHWSQXEVSA-N 2 0 279.384 1.797 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000414953754 371037072 /nfs/dbraw/zinc/03/70/72/371037072.db2.gz KBPDQTCXVDBACA-CZUORRHYSA-N 2 0 270.380 1.960 10 0 CDAERP O=C([C@H]1[NH2+]CCc2ccccc21)N1CCC2(CC[NH2+]2)CC1 ZINC000567637913 371076300 /nfs/dbraw/zinc/07/63/00/371076300.db2.gz FUROQNGEKQWBQL-HNNXBMFYSA-N 2 0 285.391 1.228 10 0 CDAERP CC(C)[NH+](CCN[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)C(C)C ZINC000422767715 245232590 /nfs/dbraw/zinc/23/25/90/245232590.db2.gz YUKLCGZQQKUICH-HOTGVXAUSA-N 2 0 283.460 1.462 10 0 CDAERP CC[C@@H](Cn1cncn1)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000340515367 371485138 /nfs/dbraw/zinc/48/51/38/371485138.db2.gz BEXDBMDRLORIIF-GJZGRUSLSA-N 2 0 279.432 1.911 10 0 CDAERP CC[C@@H](Cn1cncn1)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000340513396 371465965 /nfs/dbraw/zinc/46/59/65/371465965.db2.gz DAYPKXWIRLSZOE-ZDUSSCGKSA-N 2 0 265.405 1.378 10 0 CDAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C2CC[NH+](C3CC3)CC2)C1 ZINC000192708435 372041947 /nfs/dbraw/zinc/04/19/47/372041947.db2.gz VWMLFTIQGXRGLK-CJNGLKHVSA-N 2 0 293.455 1.706 10 0 CDAERP C[NH+]1CCC(CC[NH2+]Cc2cn3cccnc3n2)CC1 ZINC000298528109 372165461 /nfs/dbraw/zinc/16/54/61/372165461.db2.gz RYLPXKOFMBTPJT-UHFFFAOYSA-N 2 0 273.384 1.551 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000333446711 205327913 /nfs/dbraw/zinc/32/79/13/205327913.db2.gz WWLBDXALRWPJLX-RRFJBIMHSA-N 2 0 296.459 1.547 10 0 CDAERP CC[C@]1(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCC[NH2+]1 ZINC000122229935 373048233 /nfs/dbraw/zinc/04/82/33/373048233.db2.gz JUCXBCRQQUHWMY-NQKGRLOXSA-N 2 0 279.428 1.650 10 0 CDAERP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000383712676 373144495 /nfs/dbraw/zinc/14/44/95/373144495.db2.gz DVGVWFUTUQYRKM-CAOSSQGBSA-N 2 0 284.444 1.315 10 0 CDAERP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@@H](C)COC)CC1 ZINC000581766699 373240609 /nfs/dbraw/zinc/24/06/09/373240609.db2.gz JXRXDJJFVZOHBG-CQSZACIVSA-N 2 0 271.449 1.275 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000189954383 373306278 /nfs/dbraw/zinc/30/62/78/373306278.db2.gz XAXKFVJGRXJKCM-CQSZACIVSA-N 2 0 298.475 1.842 10 0 CDAERP CC(C)CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631840204 373789201 /nfs/dbraw/zinc/78/92/01/373789201.db2.gz ALVOMBPYBZDDHW-FRRDWIJNSA-N 2 0 255.406 1.064 10 0 CDAERP CC(C)N(C(=O)C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1)C(C)C ZINC000631843523 373895020 /nfs/dbraw/zinc/89/50/20/373895020.db2.gz OXPDKGISKPBMJU-STQMWFEESA-N 2 0 255.406 1.158 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CC(C)(C)[C@H]1CCCCO1 ZINC000643466652 373948435 /nfs/dbraw/zinc/94/84/35/373948435.db2.gz KNKBDMIVHZHLAH-UONOGXRCSA-N 2 0 272.433 1.925 10 0 CDAERP C[NH2+]CCC1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000418581585 374415888 /nfs/dbraw/zinc/41/58/88/374415888.db2.gz UXDUBQDSGQMAOI-GXTWGEPZSA-N 2 0 282.432 1.016 10 0 CDAERP CCC[NH+]1CCC([NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)CC1 ZINC000342806407 374593316 /nfs/dbraw/zinc/59/33/16/374593316.db2.gz QLVXFKRCQRPVHA-LSDHHAIUSA-N 2 0 286.460 1.608 10 0 CDAERP Cc1nc(N)nc(NCc2cccc(C[NH+]3CCCC3)c2)n1 ZINC000631055885 374758326 /nfs/dbraw/zinc/75/83/26/374758326.db2.gz HRGHEZYJHKGBGA-UHFFFAOYSA-N 2 0 298.394 1.222 10 0 CDAERP Cc1cc(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)on1 ZINC000631070271 374975748 /nfs/dbraw/zinc/97/57/48/374975748.db2.gz RYPNANORDGGRHU-ZDUSSCGKSA-N 2 0 278.400 1.241 10 0 CDAERP CC[NH+](CC)[C@H](C)CN[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000127637235 375071653 /nfs/dbraw/zinc/07/16/53/375071653.db2.gz ZBDRIAOXYRPJFL-BFHYXJOUSA-N 2 0 253.434 1.932 10 0 CDAERP CC[NH2+]Cc1ccccc1NC(=O)NCC[NH+](C)C ZINC000415910561 375477046 /nfs/dbraw/zinc/47/70/46/375477046.db2.gz BVLZHZYCVQSNLU-UHFFFAOYSA-N 2 0 264.373 1.479 10 0 CDAERP COC[C@H](CC1CCOCC1)[NH2+]CCC[NH+]1CCCC1 ZINC000657825059 542008033 /nfs/dbraw/zinc/00/80/33/542008033.db2.gz VRWBTLRZKYNRQB-INIZCTEOSA-N 2 0 284.444 1.894 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCC1([NH+](C)C)CCCC1 ZINC000416830808 375684659 /nfs/dbraw/zinc/68/46/59/375684659.db2.gz RXJJHHIYRRWDIC-OLZOCXBDSA-N 2 0 282.432 1.158 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H]1CCO ZINC000428459697 247305287 /nfs/dbraw/zinc/30/52/87/247305287.db2.gz ZPRFDDCXWYBBEJ-OAHLLOKOSA-N 2 0 286.379 1.923 10 0 CDAERP CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000194660363 375946860 /nfs/dbraw/zinc/94/68/60/375946860.db2.gz QNXIAGDKGXWLOG-AWEZNQCLSA-N 2 0 296.459 1.596 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000631453787 376267115 /nfs/dbraw/zinc/26/71/15/376267115.db2.gz PETZXCFHSHAVJG-OWCLPIDISA-N 2 0 293.455 1.661 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000638974538 376313190 /nfs/dbraw/zinc/31/31/90/376313190.db2.gz ACQWKBKZXHNTDI-KBPBESRZSA-N 2 0 281.444 1.837 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(CC(F)F)C2)[C@H]2CCC[C@@H]21 ZINC000417389671 376315549 /nfs/dbraw/zinc/31/55/49/376315549.db2.gz PWQMMDZWXOVWLV-MQYQWHSLSA-N 2 0 287.398 1.788 10 0 CDAERP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc3oc(=O)n(C)c3c2)C1 ZINC000631823829 376649361 /nfs/dbraw/zinc/64/93/61/376649361.db2.gz OSMDANHQUMBZPC-JQWIXIFHSA-N 2 0 275.352 1.301 10 0 CDAERP CC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)CC1CC1 ZINC000070012923 376745423 /nfs/dbraw/zinc/74/54/23/376745423.db2.gz IDKSJXFSVVXSBG-UHFFFAOYSA-N 2 0 279.428 1.461 10 0 CDAERP Cn1cncc1CCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631889009 376781967 /nfs/dbraw/zinc/78/19/67/376781967.db2.gz BKNHBMIDGKQXTO-DZGCQCFKSA-N 2 0 262.401 1.427 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3C[NH+](C)CC[C@H]32)CC[N@@H+]1C ZINC000631951023 376842581 /nfs/dbraw/zinc/84/25/81/376842581.db2.gz WTHKZQDATPUJEP-CAOSSQGBSA-N 2 0 293.455 1.659 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000417398495 376922700 /nfs/dbraw/zinc/92/27/00/376922700.db2.gz YFKIVYNRXVXWDG-CQSZACIVSA-N 2 0 282.432 1.160 10 0 CDAERP CC[N@H+](CCNC(=O)N1C[C@@H]2CCC[NH+]2C[C@H]1C)C1CC1 ZINC000247470149 377123700 /nfs/dbraw/zinc/12/37/00/377123700.db2.gz RQBGJHLOVRDKLZ-HIFRSBDPSA-N 2 0 294.443 1.349 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)N(C)C[C@H]2CCC[NH+](C)C2)C1 ZINC000247279425 377080867 /nfs/dbraw/zinc/08/08/67/377080867.db2.gz SBMZXXZTPHUSBJ-LSDHHAIUSA-N 2 0 296.459 1.454 10 0 CDAERP C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc4nccn4c3)CC[C@H]21 ZINC000247970881 377188956 /nfs/dbraw/zinc/18/89/56/377188956.db2.gz HIFHWVNYXFEDPS-DZGCQCFKSA-N 2 0 298.390 1.891 10 0 CDAERP CC(C)[NH+]1CCC(N(C)C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261746010 377894886 /nfs/dbraw/zinc/89/48/86/377894886.db2.gz IZSGMGTYMGFIGH-OAHLLOKOSA-N 2 0 253.434 1.791 10 0 CDAERP Cc1ccc(O)c(C[NH2+]CC2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000069347300 378012320 /nfs/dbraw/zinc/01/23/20/378012320.db2.gz UKEFUVADNUUVCA-ZDUSSCGKSA-N 2 0 293.411 1.278 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000633082223 378107339 /nfs/dbraw/zinc/10/73/39/378107339.db2.gz MVHPAVCIXNAHFW-UHFFFAOYSA-N 2 0 296.459 1.596 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425542310 378217422 /nfs/dbraw/zinc/21/74/22/378217422.db2.gz HBWYRLWZRXXRDH-STQMWFEESA-N 2 0 263.389 1.468 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CCCF ZINC001662314321 1172527628 /nfs/dbraw/zinc/52/76/28/1172527628.db2.gz JPVDTFWCUXGXDY-AGIUHOORSA-N 2 0 273.396 1.171 10 0 CDAERP C[C@@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC[NH2+]1 ZINC000417786607 378762060 /nfs/dbraw/zinc/76/20/60/378762060.db2.gz KLQUMOAYDCOQBB-RLAWYHOSSA-N 2 0 280.416 1.005 10 0 CDAERP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@](C)(O)CC)C1 ZINC000444593787 250150732 /nfs/dbraw/zinc/15/07/32/250150732.db2.gz HEDUESBDCUDTOS-LSDHHAIUSA-N 2 0 272.433 1.580 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@H]2CN(C)C[C@@H]2C)CC1 ZINC000344204553 379254281 /nfs/dbraw/zinc/25/42/81/379254281.db2.gz ADIXAZXRSZJZDF-ZFWWWQNUSA-N 3 0 253.434 1.648 10 0 CDAERP O=C(N1CCC2(CC[NH2+]2)CC1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000334583638 379419286 /nfs/dbraw/zinc/41/92/86/379419286.db2.gz KUJXEBKVBSSLFP-SFHVURJKSA-N 2 0 299.418 1.272 10 0 CDAERP C[C@@H](CNC(=O)NCC[N@@H+]1CCCC[C@H]1C)[NH+](C)C1CC1 ZINC000246204712 379474290 /nfs/dbraw/zinc/47/42/90/379474290.db2.gz MRSBOZIKKMGDRG-KGLIPLIRSA-N 2 0 296.459 1.643 10 0 CDAERP COC(=O)C1(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)CC1 ZINC000450452919 251290896 /nfs/dbraw/zinc/29/08/96/251290896.db2.gz NNTKSXCNJBJOTP-AWEZNQCLSA-N 2 0 280.412 1.603 10 0 CDAERP [NH3+]CCCCCCC(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186551307 140064436 /nfs/dbraw/zinc/06/44/36/140064436.db2.gz JWMRXSNCGXNYRN-ZDUSSCGKSA-N 2 0 267.417 1.639 10 0 CDAERP CC[C@@H]1CN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC[C@H]1[NH3+] ZINC000655970551 412983423 /nfs/dbraw/zinc/98/34/23/412983423.db2.gz HWNJWVKMACYAHK-YIYPIFLZSA-N 2 0 282.432 1.095 10 0 CDAERP O[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C12CCC2 ZINC000657707602 412992447 /nfs/dbraw/zinc/99/24/47/412992447.db2.gz IDDJKIDWRCORNZ-ZOBORPQBSA-N 2 0 250.386 1.506 10 0 CDAERP CC[NH+]1CCC(CC[NH2+][C@@H]2CCC(=O)NC2(C)C)CC1 ZINC000495071237 253683629 /nfs/dbraw/zinc/68/36/29/253683629.db2.gz OZKPQQBLLFIDHQ-CQSZACIVSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001663336279 1172674605 /nfs/dbraw/zinc/67/46/05/1172674605.db2.gz YZIFLQOECGGEMV-CHWSQXEVSA-N 2 0 255.406 1.032 10 0 CDAERP CC(C)(C)[NH2+]CCNC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662468102 413045204 /nfs/dbraw/zinc/04/52/04/413045204.db2.gz PDFQUWCDMLWSOE-CQSZACIVSA-N 2 0 275.396 1.725 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC(C)(C)[NH3+])[C@@H](C)C1 ZINC000418425659 285367453 /nfs/dbraw/zinc/36/74/53/285367453.db2.gz IUBGGYSOOAJMED-NWDGAFQWSA-N 2 0 270.421 1.095 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CC12CCSCC2 ZINC000423567218 285373270 /nfs/dbraw/zinc/37/32/70/285373270.db2.gz ZXGMRZGBKQFIJG-STQMWFEESA-N 2 0 272.458 1.863 10 0 CDAERP CC[NH+](CC)CCN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000119675854 390561899 /nfs/dbraw/zinc/56/18/99/390561899.db2.gz SOAZMWKZGHLEOM-OAHLLOKOSA-N 2 0 253.434 1.746 10 0 CDAERP CC(C)(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@]1(O)CCOC1 ZINC000647247605 390638144 /nfs/dbraw/zinc/63/81/44/390638144.db2.gz UHKKHIBKNCRSQM-IJEWVQPXSA-N 2 0 282.428 1.380 10 0 CDAERP CCC[C@H](C(=O)N1CCC([NH+]2CCCC2)CC1)[NH+](C)C ZINC000152459997 390666141 /nfs/dbraw/zinc/66/61/41/390666141.db2.gz CCPSTVDJGWNWKP-OAHLLOKOSA-N 2 0 281.444 1.804 10 0 CDAERP COc1ncncc1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000647213045 390876290 /nfs/dbraw/zinc/87/62/90/390876290.db2.gz JZUUMRGNEAVEJI-UHFFFAOYSA-N 2 0 278.400 1.841 10 0 CDAERP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648205662 390951731 /nfs/dbraw/zinc/95/17/31/390951731.db2.gz KWVISUKXKCVSNY-DKUMPPAJSA-N 2 0 291.439 1.698 10 0 CDAERP C[N@H+](C[C@H](O)C1CCCCC1)C[C@H]1CC[NH+](C)C1 ZINC000158447604 390932362 /nfs/dbraw/zinc/93/23/62/390932362.db2.gz MXQKCTKVDLUXJL-ZFWWWQNUSA-N 2 0 254.418 1.811 10 0 CDAERP O=c1ccccn1Cc1ccc(C[NH2+]C2CC[NH2+]CC2)cc1 ZINC000415075410 390983427 /nfs/dbraw/zinc/98/34/27/390983427.db2.gz FDROGRDUZKHFRT-UHFFFAOYSA-N 2 0 297.402 1.738 10 0 CDAERP c1nc2cnccn2c1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000647544559 390986214 /nfs/dbraw/zinc/98/62/14/390986214.db2.gz VQJLFFZLFRTYNZ-BETUJISGSA-N 2 0 271.368 1.161 10 0 CDAERP COc1ccc(CCN[C@H]2C[NH2+]C[C@@H](C)C2)cc1F ZINC000647549038 390992389 /nfs/dbraw/zinc/99/23/89/390992389.db2.gz GHNSXKWJVVAXRB-WCQYABFASA-N 2 0 266.360 1.964 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)NCCCC[NH3+])CC1 ZINC000417743479 391008434 /nfs/dbraw/zinc/00/84/34/391008434.db2.gz CRESZMIOFPOTEJ-UHFFFAOYSA-N 2 0 270.421 1.147 10 0 CDAERP CC[C@@H]1C[C@H]([NH2+]CCCC[NH+]2CCOCC2)CCO1 ZINC000648424459 391167306 /nfs/dbraw/zinc/16/73/06/391167306.db2.gz ZHJYSJHTHVXSGY-HUUCEWRRSA-N 2 0 270.417 1.646 10 0 CDAERP CC(C)([NH3+])CCC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000648104175 391335896 /nfs/dbraw/zinc/33/58/96/391335896.db2.gz OKJGZGBPAADJTH-OLZOCXBDSA-N 2 0 267.417 1.495 10 0 CDAERP CC(C)[N@H+](C)CCCNC(=O)c1c[nH+]ccc1N(C)C ZINC000273553830 391326961 /nfs/dbraw/zinc/32/69/61/391326961.db2.gz HWOLHWKWUMRCFK-UHFFFAOYSA-N 2 0 278.400 1.608 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)NCC[C@H]2CC[NH2+]C2)cc1 ZINC000418346624 391350371 /nfs/dbraw/zinc/35/03/71/391350371.db2.gz UVWXRROVNUOEFY-TZMCWYRMSA-N 2 0 290.411 1.505 10 0 CDAERP CCn1nncc1C[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000459288906 391358320 /nfs/dbraw/zinc/35/83/20/391358320.db2.gz AAPQWFTUPIJRJP-UHFFFAOYSA-N 2 0 279.432 1.852 10 0 CDAERP CC[C@H](C(=O)N1CCC[N@@H+](C2CC2)CC1)[NH+](C)C ZINC000178706464 391361946 /nfs/dbraw/zinc/36/19/46/391361946.db2.gz DPRGNDZWRYKDOB-CYBMUJFWSA-N 2 0 253.390 1.023 10 0 CDAERP C[C@@H](NC(=O)NCc1ccc(CC[NH+](C)C)cc1)[C@H](C)[NH3+] ZINC000418056552 391372584 /nfs/dbraw/zinc/37/25/84/391372584.db2.gz KJQUFHOFTPYMQY-QWHCGFSZSA-N 2 0 292.427 1.326 10 0 CDAERP CCn1nncc1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000418061171 391374514 /nfs/dbraw/zinc/37/45/14/391374514.db2.gz DHUCYLMGCSXDHC-CQSZACIVSA-N 2 0 277.416 1.462 10 0 CDAERP CS[C@@H]1CC[C@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000425356823 391484420 /nfs/dbraw/zinc/48/44/20/391484420.db2.gz MQQJAYDURXPLPJ-ZIAGYGMSSA-N 2 0 271.474 1.496 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)C1 ZINC000418584678 391520856 /nfs/dbraw/zinc/52/08/56/391520856.db2.gz CJWLXQCHSUWKGZ-HZSPNIEDSA-N 2 0 282.432 1.109 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000417827389 391491589 /nfs/dbraw/zinc/49/15/89/391491589.db2.gz FUHFQHQRNNLUAO-IUCAKERBSA-N 2 0 281.322 1.161 10 0 CDAERP CC(C)[N@H+](CC[C@H]1CCC[NH+]1C)C[C@@H]1CCC(=O)N1 ZINC000412076028 391580217 /nfs/dbraw/zinc/58/02/17/391580217.db2.gz KPBVZTSKOOOYJY-UONOGXRCSA-N 2 0 267.417 1.460 10 0 CDAERP COC[C@@H](C)C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000527365944 391654692 /nfs/dbraw/zinc/65/46/92/391654692.db2.gz YEKHWELMLALVEC-ZDUSSCGKSA-N 2 0 258.406 1.312 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000335396858 391704404 /nfs/dbraw/zinc/70/44/04/391704404.db2.gz VBQRVFZVASDHGT-HOCLYGCPSA-N 2 0 279.428 1.461 10 0 CDAERP C[C@H](C[NH2+]C[C@@H]1C[NH2+]CCCO1)Cc1ccccc1 ZINC000415028809 391729399 /nfs/dbraw/zinc/72/93/99/391729399.db2.gz AFMDFXAIJDBMSJ-HOCLYGCPSA-N 2 0 262.397 1.833 10 0 CDAERP C[C@@H]1C[C@H]([N@H+](C)CCN2C[C@H]3CC[C@@H](C2)O3)CCN1C ZINC000343317096 391769557 /nfs/dbraw/zinc/76/95/57/391769557.db2.gz UQIUXTDJUWMWMX-FPCVCCKLSA-N 2 0 281.444 1.264 10 0 CDAERP CC(C)[NH2+]CCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000248782325 391935285 /nfs/dbraw/zinc/93/52/85/391935285.db2.gz VMPSUPALZHVLDT-HOCLYGCPSA-N 2 0 265.445 1.933 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](CN[C@@H]2C[NH+](C)C[C@H]2C)C1 ZINC000344184429 391898109 /nfs/dbraw/zinc/89/81/09/391898109.db2.gz AKYZEXHGGIRVGX-QLFBSQMISA-N 2 0 253.434 1.647 10 0 CDAERP CCSCC[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000438212054 391898880 /nfs/dbraw/zinc/89/88/80/391898880.db2.gz IYARZBXXMJIEEN-ZDUSSCGKSA-N 2 0 259.463 1.213 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC000247486700 391900533 /nfs/dbraw/zinc/90/05/33/391900533.db2.gz TXHREFINZXSWIQ-STQMWFEESA-N 2 0 253.390 1.022 10 0 CDAERP CC[NH+]1CCC(NC(=O)C[N@H+]2CC(C)=C[C@H](C)C2)CC1 ZINC000430262637 391906956 /nfs/dbraw/zinc/90/69/56/391906956.db2.gz MLISSPSDGXLGQI-ZDUSSCGKSA-N 2 0 279.428 1.485 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649318661 392009298 /nfs/dbraw/zinc/00/92/98/392009298.db2.gz ARJFYHUUESXZMI-ITGHMWBKSA-N 2 0 265.401 1.116 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000646105734 392012199 /nfs/dbraw/zinc/01/21/99/392012199.db2.gz FOOMVLMVKLNDQN-ZBFHGGJFSA-N 2 0 289.423 1.847 10 0 CDAERP CC(C)(C)[C@H]([NH3+])C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000649319064 392013012 /nfs/dbraw/zinc/01/30/12/392013012.db2.gz DXOJZJLRKYTLQD-GFCCVEGCSA-N 2 0 273.340 1.579 10 0 CDAERP C[C@@H]1CC[N@H+](CCNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000649341950 392070747 /nfs/dbraw/zinc/07/07/47/392070747.db2.gz CELQJPDPBQMAQK-QLFBSQMISA-N 2 0 281.444 1.742 10 0 CDAERP CCOC(=O)[C@]1(COC)CCC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261778775 392022279 /nfs/dbraw/zinc/02/22/79/392022279.db2.gz NRFNXPBUDGOESG-HZPDHXFCSA-N 2 0 298.427 1.278 10 0 CDAERP CO[C@@H](C)C[N@H+](C[C@H](O)CN(C)C1CC1)C(C)C ZINC000336788954 392030797 /nfs/dbraw/zinc/03/07/97/392030797.db2.gz HZGKTQJLKPTMOK-GXTWGEPZSA-N 2 0 258.406 1.187 10 0 CDAERP c1ccc(C[N@H+]2CCC[C@H](CN[C@H]3CC[NH2+]C3)C2)cc1 ZINC000380947055 392192848 /nfs/dbraw/zinc/19/28/48/392192848.db2.gz PIUIWOPBKTUXDZ-SJORKVTESA-N 2 0 273.424 1.850 10 0 CDAERP C(C[NH+]1CCC(c2nnc3n2CCC3)CC1)[C@H]1CC[NH2+]C1 ZINC000649411826 392196037 /nfs/dbraw/zinc/19/60/37/392196037.db2.gz HYMSJKZMTJUQJY-CYBMUJFWSA-N 2 0 289.427 1.403 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000250505578 392227940 /nfs/dbraw/zinc/22/79/40/392227940.db2.gz NDHIYOOSMOJLDI-MCIONIFRSA-N 2 0 267.417 1.364 10 0 CDAERP CC1=CCN(CC[NH2+]C2CCC(C[NH3+])CC2)CC1 ZINC000423040937 392295322 /nfs/dbraw/zinc/29/53/22/392295322.db2.gz VOQOLFBAZBTCTL-UHFFFAOYSA-N 2 0 251.418 1.746 10 0 CDAERP CN(C(=O)N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000529362790 392362283 /nfs/dbraw/zinc/36/22/83/392362283.db2.gz UKOJCNXSIPODKK-ZIAGYGMSSA-N 2 0 292.427 1.149 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000629528661 392384397 /nfs/dbraw/zinc/38/43/97/392384397.db2.gz GFNONOWTSPZWGD-GFCCVEGCSA-N 2 0 254.378 1.351 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000629528709 392385577 /nfs/dbraw/zinc/38/55/77/392385577.db2.gz HIDKLLFLKAMWDE-AWEZNQCLSA-N 2 0 252.333 1.639 10 0 CDAERP C1C[C@H]([C@H]2CCC[C@H]([NH2+]C3CC[NH2+]CC3)C2)CO1 ZINC000423190559 392430352 /nfs/dbraw/zinc/43/03/52/392430352.db2.gz SPWHNRBTKTXZHI-YDHLFZDLSA-N 2 0 252.402 1.923 10 0 CDAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000645903582 392517814 /nfs/dbraw/zinc/51/78/14/392517814.db2.gz HRPKYSKMSDBUPD-RBSFLKMASA-N 2 0 296.459 1.310 10 0 CDAERP C[NH2+]C[C@H](C)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000645889446 392473778 /nfs/dbraw/zinc/47/37/78/392473778.db2.gz JOWQJNUJJUUUJF-JTQLQIEISA-N 2 0 259.313 1.061 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+]CCCCOc2ccccc2)CC1 ZINC000438188799 392545531 /nfs/dbraw/zinc/54/55/31/392545531.db2.gz KCEMUTUQCPTXJT-UHFFFAOYSA-N 2 0 292.423 1.892 10 0 CDAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000494957293 393138594 /nfs/dbraw/zinc/13/85/94/393138594.db2.gz JTYUURGFQIWLLQ-APIJFGDWSA-N 2 0 253.434 1.647 10 0 CDAERP CCn1cc(C[NH2+]Cc2ccc3c[nH+]cn3c2)cn1 ZINC000459664229 393290555 /nfs/dbraw/zinc/29/05/55/393290555.db2.gz ZXXDHEDDJPUXBW-UHFFFAOYSA-N 2 0 255.325 1.841 10 0 CDAERP C[C@@H]1CCC(C)(C)[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000452003659 393423234 /nfs/dbraw/zinc/42/32/34/393423234.db2.gz GKICPWXVJQMKAG-CYBMUJFWSA-N 2 0 293.455 1.992 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1ccc(C[NH3+])o1 ZINC000645951177 393427088 /nfs/dbraw/zinc/42/70/88/393427088.db2.gz HLTJQPYRZOGDAJ-RYUDHWBXSA-N 2 0 279.384 1.731 10 0 CDAERP C[C@@H]1CN(C2CC[NH+](CC3CC[NH2+]CC3)CC2)CCO1 ZINC000178979323 140010934 /nfs/dbraw/zinc/01/09/34/140010934.db2.gz OFUOOJZXWYNAMG-CQSZACIVSA-N 2 0 281.444 1.171 10 0 CDAERP Cc1cnc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)s1 ZINC000180477810 140016857 /nfs/dbraw/zinc/01/68/57/140016857.db2.gz WOMIZECJRXRNCH-LBPRGKRZSA-N 2 0 297.468 1.976 10 0 CDAERP C[N@H+](CCN1C[C@@H]2C[NH+](C)C[C@@H]2C1)Cc1ccc(F)cc1 ZINC000193598838 140147223 /nfs/dbraw/zinc/14/72/23/140147223.db2.gz ZQLZDVGORZDYSO-IYBDPMFKSA-N 2 0 291.414 1.751 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(N)=O)cc2)[C@@H](C)C1 ZINC000245416888 140266912 /nfs/dbraw/zinc/26/69/12/140266912.db2.gz FOBJKPVPCFGJAF-XJKSGUPXSA-N 2 0 289.423 1.948 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)C1CC1 ZINC000249994928 140300735 /nfs/dbraw/zinc/30/07/35/140300735.db2.gz PLBYPPSRMCYEHQ-YUTCNCBUSA-N 2 0 265.401 1.118 10 0 CDAERP O=C([C@@H]1CCCC[NH2+]1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000371235998 304318200 /nfs/dbraw/zinc/31/82/00/304318200.db2.gz NJWHIEOLLUISLW-MJBXVCDLSA-N 2 0 265.401 1.119 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000662526349 413097696 /nfs/dbraw/zinc/09/76/96/413097696.db2.gz DINPSCUYDLHVLE-FPCVCCKLSA-N 2 0 293.455 1.850 10 0 CDAERP COC[C@H](CC1CCOCC1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000658047245 413151599 /nfs/dbraw/zinc/15/15/99/413151599.db2.gz PMSUZUKIXYMCEO-HRCADAONSA-N 2 0 284.444 1.748 10 0 CDAERP O=C([C@@H]1CCC[NH2+]C1)N1CCC([NH+]2CCCC2)CC1 ZINC000038101707 304332450 /nfs/dbraw/zinc/33/24/50/304332450.db2.gz OSXOEPZUDDDVNX-CYBMUJFWSA-N 2 0 265.401 1.073 10 0 CDAERP C[NH+](C)CCN1CC[N@H+](CC23CCC(CC2)C3)CC1=O ZINC000649684998 397897304 /nfs/dbraw/zinc/89/73/04/397897304.db2.gz KEWBPLRNNPWXAW-UHFFFAOYSA-N 2 0 279.428 1.273 10 0 CDAERP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)[C@H]1C[C@H]1C ZINC000321971084 483486069 /nfs/dbraw/zinc/48/60/69/483486069.db2.gz ZZNLWFIKSHBTOE-MCIONIFRSA-N 2 0 253.434 1.647 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1nc(C(C)(C)[NH3+])no1 ZINC000094446117 147089326 /nfs/dbraw/zinc/08/93/26/147089326.db2.gz SSVIFXBHVYETTA-VXGBXAGGSA-N 2 0 293.415 1.322 10 0 CDAERP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)C1CC[NH2+]CC1 ZINC000334929772 150099128 /nfs/dbraw/zinc/09/91/28/150099128.db2.gz JEPSLDCWAYVWIO-UHFFFAOYSA-N 2 0 277.343 1.410 10 0 CDAERP C[C@@H](CC(=O)N1CC[NH+]2CCC1CC2)[C@H]1CCC[NH2+]C1 ZINC000335037821 150213371 /nfs/dbraw/zinc/21/33/71/150213371.db2.gz MQAJBVZLGRYSQE-KBPBESRZSA-N 2 0 279.428 1.319 10 0 CDAERP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CC[NH+]2CCC1CC2 ZINC000335039605 150215856 /nfs/dbraw/zinc/21/58/56/150215856.db2.gz ULJRLONCPYDLJN-LSDHHAIUSA-N 2 0 279.428 1.591 10 0 CDAERP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(C[NH3+])cc2)C1 ZINC000335049940 150230588 /nfs/dbraw/zinc/23/05/88/150230588.db2.gz ZVQKHIBXEOTENX-JKSUJKDBSA-N 2 0 287.407 1.702 10 0 CDAERP CN1CC[C@@H](NC(=O)C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000335055769 150238016 /nfs/dbraw/zinc/23/80/16/150238016.db2.gz YMQCBVDYZUDHHM-DGCLKSJQSA-N 2 0 285.750 1.299 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)NCC1([NH3+])CCCC1 ZINC000662647106 413246618 /nfs/dbraw/zinc/24/66/18/413246618.db2.gz NAEGJFFFAGRTQS-CYBMUJFWSA-N 2 0 267.417 1.639 10 0 CDAERP O=C(NC1CC[NH+](C2CC2)CC1)N1CC[NH+]2CCC1CC2 ZINC000335934211 151126581 /nfs/dbraw/zinc/12/65/81/151126581.db2.gz PUEUKAQSFNJEFJ-UHFFFAOYSA-N 2 0 292.427 1.103 10 0 CDAERP CCC1(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCOCC1 ZINC000336022457 151203846 /nfs/dbraw/zinc/20/38/46/151203846.db2.gz VYJONMFQPUZNAT-UONOGXRCSA-N 2 0 252.402 1.735 10 0 CDAERP C[C@]1(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)CC[NH2+]C1 ZINC000336111765 151277739 /nfs/dbraw/zinc/27/77/39/151277739.db2.gz BMGOYJXUCZCUGR-ZBFHGGJFSA-N 2 0 279.428 1.320 10 0 CDAERP C[N@@H+]1CC[C@]2(CCN(CCO[C@H]3CC3(F)F)C2)C1 ZINC000660616726 413298552 /nfs/dbraw/zinc/29/85/52/413298552.db2.gz OPZMDMSDBKGGEJ-RYUDHWBXSA-N 2 0 260.328 1.438 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)CC1([NH3+])CC1)c1ccc(F)cc1 ZINC000662680419 413299543 /nfs/dbraw/zinc/29/95/43/413299543.db2.gz UZDQZHWNPYQVSY-CYBMUJFWSA-N 2 0 279.359 1.426 10 0 CDAERP CC[C@@H]([NH3+])C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000662687549 413314870 /nfs/dbraw/zinc/31/48/70/413314870.db2.gz ZZLJJKPHQMMBOH-OLZOCXBDSA-N 2 0 263.341 1.023 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](O)C23CCC3)[C@@H]2CCC[C@H]21 ZINC000658251979 413317073 /nfs/dbraw/zinc/31/70/73/413317073.db2.gz POSUOCSKHARZAB-AHDPXTMNSA-N 2 0 264.413 1.752 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCn2ccnn2)[C@H]2CCC[C@H]21 ZINC000353682869 156010439 /nfs/dbraw/zinc/01/04/39/156010439.db2.gz PCSRLODOHCHGEK-HZSPNIEDSA-N 2 0 263.389 1.131 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2CCC(O)CC2)[C@@H]2CCC[C@H]21 ZINC000658281145 413333410 /nfs/dbraw/zinc/33/34/10/413333410.db2.gz BLYXKKJYPMGJTH-SVXVCFNTSA-N 2 0 266.429 2.000 10 0 CDAERP CC[C@@H]1C[C@@H](C[NH2+]CC2(O)CC[NH+](C)CC2)CCO1 ZINC000355674688 157179956 /nfs/dbraw/zinc/17/99/56/157179956.db2.gz RCHMPBDYRBYXML-UONOGXRCSA-N 2 0 270.417 1.238 10 0 CDAERP CC[NH+]1CCC([NH2+]CCN2C[C@@H]3CCCCN3C2=O)CC1 ZINC000658305594 413354768 /nfs/dbraw/zinc/35/47/68/413354768.db2.gz ASPUDANJXVBUIX-HNNXBMFYSA-N 2 0 294.443 1.350 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH+](C)C)CC1 ZINC000362500253 159161904 /nfs/dbraw/zinc/16/19/04/159161904.db2.gz TWJMPPFBFROGBB-HNNXBMFYSA-N 2 0 281.444 1.659 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000662730581 413397924 /nfs/dbraw/zinc/39/79/24/413397924.db2.gz JVIJWLPPLQYXOY-BXUZGUMPSA-N 2 0 263.385 1.810 10 0 CDAERP c1cn(CC[NH+]2CCC(Oc3cnccn3)CC2)cn1 ZINC000373294104 160189875 /nfs/dbraw/zinc/18/98/75/160189875.db2.gz QVVSWOLTAPTIKT-UHFFFAOYSA-N 2 0 273.340 1.217 10 0 CDAERP C[C@H](CCC[NH3+])NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000418683433 298395691 /nfs/dbraw/zinc/39/56/91/298395691.db2.gz BHOKZYHMJCIOQX-CABCVRRESA-N 2 0 296.459 1.774 10 0 CDAERP C[C@@]1(CNC(=O)C2([NH2+]C3CC3)CCC2)CCC[NH2+]C1 ZINC000662764763 413460764 /nfs/dbraw/zinc/46/07/64/413460764.db2.gz NYDUONBFEPQARN-CQSZACIVSA-N 2 0 265.401 1.167 10 0 CDAERP NC(=[NH2+])c1ccc(-c2nc3cc(C(N)=[NH2+])ccc3[nH]2)cc1 ZINC000005117209 170067554 /nfs/dbraw/zinc/06/75/54/170067554.db2.gz CZPXYHUXDSNUPW-UHFFFAOYSA-N 2 0 278.319 1.798 10 0 CDAERP CC[NH+]1CCN([C@H](C)C(=O)Nc2ccccc2C[NH3+])CC1 ZINC000022219229 171376662 /nfs/dbraw/zinc/37/66/62/171376662.db2.gz VTMWZQZUQNSNII-CYBMUJFWSA-N 2 0 290.411 1.110 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH2+]C ZINC000653214229 412141478 /nfs/dbraw/zinc/14/14/78/412141478.db2.gz MFRAYZPWEWAUNE-INIZCTEOSA-N 2 0 289.423 1.897 10 0 CDAERP CC[C@@]1(C(=O)NCc2ccccc2C[NH2+]C)CCC[NH2+]1 ZINC000653214042 412141507 /nfs/dbraw/zinc/14/15/07/412141507.db2.gz DPCZOYVDHQQMMN-INIZCTEOSA-N 2 0 275.396 1.554 10 0 CDAERP [NH3+]CC1(CCNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000653215401 412143637 /nfs/dbraw/zinc/14/36/37/412143637.db2.gz SYLDWVQHBHWXLM-UPJWGTAASA-N 2 0 265.401 1.152 10 0 CDAERP CC[NH+](CC)CC(=O)N1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000653240004 412159415 /nfs/dbraw/zinc/15/94/15/412159415.db2.gz IPPPRBHMEBTFEG-QWHCGFSZSA-N 2 0 255.406 1.304 10 0 CDAERP CC(C)([NH3+])c1cc(C(=O)N2CCCC[C@@H]2CC[NH3+])on1 ZINC000662777807 413481502 /nfs/dbraw/zinc/48/15/02/413481502.db2.gz CVNJYFXEQCLPOG-SNVBAGLBSA-N 2 0 280.372 1.212 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000664718385 413611522 /nfs/dbraw/zinc/61/15/22/413611522.db2.gz DBGDEUNYMSHPLJ-ZDUSSCGKSA-N 2 0 269.433 1.755 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC(CC[NH+](C)C)CC2)C1 ZINC000654782826 413705070 /nfs/dbraw/zinc/70/50/70/413705070.db2.gz VNTVFFQEKLXFBW-CQSZACIVSA-N 2 0 281.444 1.519 10 0 CDAERP C[C@H](NC(=O)[C@](C)([NH3+])c1ccccc1)c1nccn1C ZINC000662932805 413718432 /nfs/dbraw/zinc/71/84/32/413718432.db2.gz GHPDIWPJNHXJLG-XHDPSFHLSA-N 2 0 272.352 1.471 10 0 CDAERP CCN(C(=O)NCC[C@@H]1CCC[NH+](C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000665117351 413874036 /nfs/dbraw/zinc/87/40/36/413874036.db2.gz CQJBOTUMGLDMTQ-LSDHHAIUSA-N 2 0 296.459 1.454 10 0 CDAERP CCC[NH+](CCC)CCCNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659450227 413837595 /nfs/dbraw/zinc/83/75/95/413837595.db2.gz ZMLXIUWAQHEBON-UHFFFAOYSA-N 2 0 296.459 1.550 10 0 CDAERP O=C(NCCC[NH+]1CCCCC1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407373851 413945066 /nfs/dbraw/zinc/94/50/66/413945066.db2.gz NHKMZMWLGAGDNV-CABCVRRESA-N 2 0 279.428 1.509 10 0 CDAERP CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]CCN2CCCCC2)C1 ZINC000661215553 413896494 /nfs/dbraw/zinc/89/64/94/413896494.db2.gz NRFWLAPAHVIJQI-ARFHVFGLSA-N 2 0 284.444 1.628 10 0 CDAERP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000665272768 414005520 /nfs/dbraw/zinc/00/55/20/414005520.db2.gz KXABZEPXYWGLIC-JONQDZQNSA-N 2 0 276.428 1.991 10 0 CDAERP CCC[N@@H+]1CC[C@@H](NC(=O)NCCC[NH+](C)CC(C)C)C1 ZINC000661352708 414014621 /nfs/dbraw/zinc/01/46/21/414014621.db2.gz WTCOTXLEPGYASQ-OAHLLOKOSA-N 2 0 298.475 1.748 10 0 CDAERP CC1(C)[C@H]([NH2+]CC23CC(C2)C[NH2+]3)[C@H]2CCCO[C@@H]21 ZINC000665279086 414016026 /nfs/dbraw/zinc/01/60/26/414016026.db2.gz WLHPETWBDHIYSL-UNOFRPGUSA-N 2 0 250.386 1.532 10 0 CDAERP CO[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)[C@H]1CCOC1 ZINC000665234716 413957623 /nfs/dbraw/zinc/95/76/23/413957623.db2.gz JDWUIIMSNDHKLD-YIOUJQMASA-N 2 0 256.390 1.145 10 0 CDAERP COc1ccnc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1F ZINC000665267389 413999703 /nfs/dbraw/zinc/99/97/03/413999703.db2.gz VTJMZLOGRDEGPO-IJLUTSLNSA-N 2 0 279.359 1.707 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000659619781 414028693 /nfs/dbraw/zinc/02/86/93/414028693.db2.gz UMDVMIBEOJONSR-UKRRQHHQSA-N 2 0 296.459 1.486 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000655806555 414201398 /nfs/dbraw/zinc/20/13/98/414201398.db2.gz YLNFMVUXHJJUPI-BJHJDKERSA-N 2 0 293.377 1.943 10 0 CDAERP C[C@@H](CO)[C@@H](C)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657370311 414247154 /nfs/dbraw/zinc/24/71/54/414247154.db2.gz BQNGUSVXFCFRCS-NWDGAFQWSA-N 2 0 260.341 1.374 10 0 CDAERP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1cnn2c1CCC2 ZINC000657393319 414269299 /nfs/dbraw/zinc/26/92/99/414269299.db2.gz AJHUVMJAQUVWRE-FZMZJTMJSA-N 2 0 260.385 1.402 10 0 CDAERP C[C@H]([NH3+])[C@H]1CCCCN1Cc1nc2c(s1)C[NH2+]CC2 ZINC000663496104 414291429 /nfs/dbraw/zinc/29/14/29/414291429.db2.gz RMXGQOJJQFMUCC-CMPLNLGQSA-N 2 0 280.441 1.491 10 0 CDAERP C[C@H](C[C@H]1CCCCC[NH2+]1)NCC12CC(C1)C[NH2+]2 ZINC000663500528 414301405 /nfs/dbraw/zinc/30/14/05/414301405.db2.gz LAVCZJQZDCXZMD-FEWQNLEASA-N 2 0 251.418 1.639 10 0 CDAERP CC(C)[C@@H](CO)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657465514 414361998 /nfs/dbraw/zinc/36/19/98/414361998.db2.gz RFKXGWQRQQUBSN-CYBMUJFWSA-N 2 0 274.368 1.621 10 0 CDAERP O=C(C[N@@H+]1CC[C@@H]2C[C@@H]2C1)NC1CC[NH+](C2CC2)CC1 ZINC000661976279 414455677 /nfs/dbraw/zinc/45/56/77/414455677.db2.gz USSDANPODYQGGC-CHWSQXEVSA-N 2 0 277.412 1.071 10 0 CDAERP CN(c1nc(CN[C@@](C)(C[NH3+])C2CC2)cs1)C1CC1 ZINC000662248061 414583518 /nfs/dbraw/zinc/58/35/18/414583518.db2.gz RWGQGHLFHNIVIE-AWEZNQCLSA-N 2 0 280.441 1.959 10 0 CDAERP CC(C)NC(=O)[C@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000662317713 414636516 /nfs/dbraw/zinc/63/65/16/414636516.db2.gz QVNRRZUIZKLSEW-KBPBESRZSA-N 2 0 267.417 1.223 10 0 CDAERP C[N@H+](CCN1CC[NH2+]CC1)C[C@@H]1CCc2ccccc21 ZINC000662320196 414637374 /nfs/dbraw/zinc/63/73/74/414637374.db2.gz ALGPNZZQDOJSOJ-INIZCTEOSA-N 2 0 273.424 1.553 10 0 CDAERP CC[C@@H](C)[NH2+]CC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000040419982 174257255 /nfs/dbraw/zinc/25/72/55/174257255.db2.gz OJRHSIGQSYEADS-CYBMUJFWSA-N 2 0 269.433 1.755 10 0 CDAERP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCC[NH2+]1 ZINC000040430466 174259910 /nfs/dbraw/zinc/25/99/10/174259910.db2.gz ZVMXUNZZZMYHFY-CHWSQXEVSA-N 2 0 277.368 1.285 10 0 CDAERP Cc1nc(C)c([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)c(=O)[nH]1 ZINC000040623501 174355892 /nfs/dbraw/zinc/35/58/92/174355892.db2.gz BXLJYXQKBBGVGZ-BXUZGUMPSA-N 2 0 292.427 1.768 10 0 CDAERP C[NH+]1CCC(C[NH3+])(N2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000040693791 174377963 /nfs/dbraw/zinc/37/79/63/174377963.db2.gz VJAHDLLDALIYDX-UHFFFAOYSA-N 3 0 294.487 1.360 10 0 CDAERP C[C@H]([NH3+])[C@H](c1cccnc1)N(C)C1CC[NH+](C)CC1 ZINC000043345689 175016698 /nfs/dbraw/zinc/01/66/98/175016698.db2.gz ZQUXTXOIALPLMY-SWLSCSKDSA-N 2 0 262.401 1.496 10 0 CDAERP C[C@@H](C[C@H](C[NH3+])N1CC[NH+](C)CC1)c1ccccc1 ZINC000043534506 175062987 /nfs/dbraw/zinc/06/29/87/175062987.db2.gz VAEANKJYAMGLCY-GOEBONIOSA-N 2 0 261.413 1.755 10 0 CDAERP CC[NH2+][C@@H](c1ccc(OC)cc1)[C@H](C)N1CC[NH+](C)CC1 ZINC000043810811 175110364 /nfs/dbraw/zinc/11/03/64/175110364.db2.gz BENXQEJLYSCJCO-WMLDXEAASA-N 2 0 291.439 1.982 10 0 CDAERP CCC[NH2+][C@H]1CCOC[C@@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815471 175112526 /nfs/dbraw/zinc/11/25/26/175112526.db2.gz DRISCIFUQAUEMG-GJZGRUSLSA-N 2 0 269.433 1.170 10 0 CDAERP CC[NH2+][C@@H]1c2ccccc2OC[C@@H]1N1CCC[N@H+](C)CC1 ZINC000043818445 175113199 /nfs/dbraw/zinc/11/31/99/175113199.db2.gz SYBBMYVTAWNQEI-DOTOQJQBSA-N 2 0 289.423 1.736 10 0 CDAERP C[NH2+][C@H]1c2ccccc2OC[C@@H]1N1CCC([NH+](C)C)CC1 ZINC000043897352 175119795 /nfs/dbraw/zinc/11/97/95/175119795.db2.gz IBFQIAHSNLYYDA-RDJZCZTQSA-N 2 0 289.423 1.734 10 0 CDAERP CCC[NH2+][C@@H]1CCC[C@H]1N1CC[NH+](C(C)C)CC1 ZINC000043897173 175120135 /nfs/dbraw/zinc/12/01/35/175120135.db2.gz GQVIKENNCNZUBL-HUUCEWRRSA-N 2 0 253.434 1.933 10 0 CDAERP CC[NH2+][C@H]1CCCC[C@@H]1N1CC[NH+](CC2CC2)CC1 ZINC000043967965 175129152 /nfs/dbraw/zinc/12/91/52/175129152.db2.gz FLMFBOVUVARBPQ-HOTGVXAUSA-N 2 0 265.445 1.935 10 0 CDAERP C[NH2+][C@@H]1CCCC[C@@H]1N1CC[NH+](CC2CC2)CC1 ZINC000043967879 175129309 /nfs/dbraw/zinc/12/93/09/175129309.db2.gz RSVNFKVCJDDEGM-CABCVRRESA-N 2 0 251.418 1.545 10 0 CDAERP CC[NH2+][C@H]1CCC[C@H]1N(CCOC)[C@@H](C)COC ZINC000043975819 175132716 /nfs/dbraw/zinc/13/27/16/175132716.db2.gz PGJFJJIPGXJVNJ-MELADBBJSA-N 2 0 258.406 1.500 10 0 CDAERP [NH3+]CC1CC[NH+](CCn2c3ccccc3oc2=O)CC1 ZINC000044513687 175189165 /nfs/dbraw/zinc/18/91/65/175189165.db2.gz HOOCPWXQDKVLJE-UHFFFAOYSA-N 2 0 275.352 1.265 10 0 CDAERP CCCCNC(=O)[C@H](C)[NH2+]CC1CC[NH+](CC)CC1 ZINC000044518656 175190907 /nfs/dbraw/zinc/19/09/07/175190907.db2.gz MSLRUVCHRGHUSU-ZDUSSCGKSA-N 2 0 269.433 1.613 10 0 CDAERP CC[NH+]1CCC([C@H](C)[NH2+][C@H]2CCN(C3CC3)C2)CC1 ZINC000044685777 175231497 /nfs/dbraw/zinc/23/14/97/175231497.db2.gz JCMOHWLMNZKGOY-ZFWWWQNUSA-N 2 0 265.445 1.933 10 0 CDAERP CCC[NH2+]C1CCN([C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000044725406 175238141 /nfs/dbraw/zinc/23/81/41/175238141.db2.gz SMMLFUUPRPXJTO-HNNXBMFYSA-N 2 0 251.418 1.687 10 0 CDAERP CCC[C@H](C[NH3+])C(=O)N(CC[NH+](C)C)CC(C)C ZINC000044808135 175256813 /nfs/dbraw/zinc/25/68/13/175256813.db2.gz IINNQNFAJIQMAI-CYBMUJFWSA-N 2 0 257.422 1.408 10 0 CDAERP CCCNC(=O)CC[NH2+][C@@H](C)C1CC[NH+](CC)CC1 ZINC000045072514 175301660 /nfs/dbraw/zinc/30/16/60/175301660.db2.gz VNNVDHZGOTXOPV-ZDUSSCGKSA-N 2 0 269.433 1.613 10 0 CDAERP C[NH2+][C@@](C)(CCC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(N)=O ZINC000045419352 175378030 /nfs/dbraw/zinc/37/80/30/175378030.db2.gz JHJFCAPFEWXVJD-LZWOXQAQSA-N 2 0 281.444 1.742 10 0 CDAERP CC[C@@H]1C[C@H](C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)CCO1 ZINC000349802290 287304512 /nfs/dbraw/zinc/30/45/12/287304512.db2.gz NJGZRYCAXNNLFG-BRWVUGGUSA-N 2 0 297.487 1.807 10 0 CDAERP CCC[C@H]1C[C@H]([N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)CCO1 ZINC000070368208 175897718 /nfs/dbraw/zinc/89/77/18/175897718.db2.gz GXGPSSSABQQUTJ-ZNMIVQPWSA-N 2 0 297.443 1.121 10 0 CDAERP Cc1ccc(C[NH3+])cc1S(=O)(=O)N[C@@H](C)CC[NH+](C)C ZINC000070430934 175926491 /nfs/dbraw/zinc/92/64/91/175926491.db2.gz VCRPFAFADUGAMI-LBPRGKRZSA-N 2 0 299.440 1.072 10 0 CDAERP C[C@@H](C[NH+]1CCCC1)N1CCC[C@@H]([NH2+]C2CC2)C1=O ZINC000071033600 176024303 /nfs/dbraw/zinc/02/43/03/176024303.db2.gz ORLMNXGKLBABOV-GXTWGEPZSA-N 2 0 265.401 1.214 10 0 CDAERP CCC[NH2+][C@@H]1CCN([C@@H](C)C[NH+]2CCCC2)C1=O ZINC000071033576 176024309 /nfs/dbraw/zinc/02/43/09/176024309.db2.gz FMWSDTRHTCQAGT-QWHCGFSZSA-N 2 0 253.390 1.071 10 0 CDAERP CC[NH+](CC)CCN1CCC[C@@H]([NH2+]C(C)C)C1=O ZINC000071035495 176025524 /nfs/dbraw/zinc/02/55/24/176025524.db2.gz ILPGXVUYRRGORU-CYBMUJFWSA-N 2 0 255.406 1.317 10 0 CDAERP CCC[NH2+][C@H]1CCN(CCC[N@@H+]2CCCC[C@@H]2C)C1=O ZINC000071037919 176026342 /nfs/dbraw/zinc/02/63/42/176026342.db2.gz LBFFQMJJMLRDCE-GJZGRUSLSA-N 2 0 281.444 1.851 10 0 CDAERP C[N@H+](CCCC1CC[NH2+]CC1)C[C@@H]1CC[NH+](C)C1 ZINC000071190917 176068932 /nfs/dbraw/zinc/06/89/32/176068932.db2.gz FNMZXRBWLLQDOE-HNNXBMFYSA-N 3 0 253.434 1.650 10 0 CDAERP CC(C)[NH2+]Cc1cc(N(C)C[C@@H]2CC[N@H+](C)C2)ccn1 ZINC000071191632 176069710 /nfs/dbraw/zinc/06/97/10/176069710.db2.gz YOABMAULKMYQHH-CQSZACIVSA-N 2 0 276.428 1.968 10 0 CDAERP CC[C@H](C[NH2+]CC(C)C)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191997 176071681 /nfs/dbraw/zinc/07/16/81/176071681.db2.gz AGEJYHCLZFZHMY-HUUCEWRRSA-N 2 0 255.450 1.894 10 0 CDAERP C[C@H](C[NH2+]C[C@H]1CCCO1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192189 176073880 /nfs/dbraw/zinc/07/38/80/176073880.db2.gz QXNUSNFNOSODNU-RBSFLKMASA-N 2 0 269.433 1.027 10 0 CDAERP CC[NH2+][C@@H]1CCCN(C[C@@H](C)C[NH+]2CCCC2)C1 ZINC000071200141 176077221 /nfs/dbraw/zinc/07/72/21/176077221.db2.gz WHFITJPDPXNANU-LSDHHAIUSA-N 2 0 253.434 1.792 10 0 CDAERP C(CN1CCC[C@@H]([NH2+]C2CC2)C1)C[NH+]1CCCC1 ZINC000071200308 176077810 /nfs/dbraw/zinc/07/78/10/176077810.db2.gz OUKUBKJIMKAJAI-OAHLLOKOSA-N 2 0 251.418 1.689 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000071201499 176078356 /nfs/dbraw/zinc/07/83/56/176078356.db2.gz XUCRYTRNBFRQIF-HIFRSBDPSA-N 2 0 251.418 1.687 10 0 CDAERP CN(Cc1ccc(F)cc1C[NH3+])[C@H]1CCC[N@H+](C)C1 ZINC000071263627 176097097 /nfs/dbraw/zinc/09/70/97/176097097.db2.gz VULAGKQGTYJURK-HNNXBMFYSA-N 2 0 265.376 1.810 10 0 CDAERP NC(=[NH2+])c1cc(F)ccc1C[NH+]1CCC(CO)CC1 ZINC000071267618 176100842 /nfs/dbraw/zinc/10/08/42/176100842.db2.gz MMVXETCDASHYSN-UHFFFAOYSA-N 2 0 265.332 1.314 10 0 CDAERP CC[C@@](C)(C[NH2+]C)CN1CC[NH+](CC(C)(C)O)CC1 ZINC000071381757 176145625 /nfs/dbraw/zinc/14/56/25/176145625.db2.gz SLDGNTHBFYZUDJ-HNNXBMFYSA-N 2 0 271.449 1.011 10 0 CDAERP C[NH+](C)CCCC(=O)NC1(C[NH2+]CCF)CCCC1 ZINC001665944709 1173089710 /nfs/dbraw/zinc/08/97/10/1173089710.db2.gz SODIUGPOMRURSL-UHFFFAOYSA-N 2 0 273.396 1.316 10 0 CDAERP COc1ccc(C[NH2+]C[C@H]2CC[NH2+]C2)cc1OC ZINC000258847548 270308381 /nfs/dbraw/zinc/30/83/81/270308381.db2.gz HMABCIQHSUVDFL-LBPRGKRZSA-N 2 0 250.342 1.403 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C(N)=O)C2)[C@@H]2CCC[C@H]21 ZINC000517294895 260143811 /nfs/dbraw/zinc/14/38/11/260143811.db2.gz AETBXNUXNKTBIZ-ZUWCUPBKSA-N 2 0 265.401 1.103 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)cc1 ZINC000655416968 423776714 /nfs/dbraw/zinc/77/67/14/423776714.db2.gz BHTYJIKRRWJUOJ-XGWLTEMNSA-N 2 0 287.407 1.712 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659452392 423784999 /nfs/dbraw/zinc/78/49/99/423784999.db2.gz MBAXXHHWFIUTII-NOZYUVCASA-N 2 0 294.443 1.301 10 0 CDAERP CC(C)C[C@@H](C[NH3+])NCc1nc2c(s1)C[NH2+]CC2 ZINC000663494620 423887047 /nfs/dbraw/zinc/88/70/47/423887047.db2.gz PSVPQMGQVNRRIY-JTQLQIEISA-N 2 0 268.430 1.252 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000651935154 423919475 /nfs/dbraw/zinc/91/94/75/423919475.db2.gz HVIYGFJLYDTFJO-OAGGEKHMSA-N 2 0 284.363 1.985 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)N(CC)[C@H]1CC[NH+](CC)C1 ZINC000663940962 424067300 /nfs/dbraw/zinc/06/73/00/424067300.db2.gz HWWIJIWUGSUKKW-CABCVRRESA-N 2 0 298.475 1.842 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000652215500 424069432 /nfs/dbraw/zinc/06/94/32/424069432.db2.gz RZICQHBNOLAGSK-CQSZACIVSA-N 2 0 284.448 1.406 10 0 CDAERP CCC([NH3+])(CC)CNC(=O)NCc1ccccc1C[NH2+]C ZINC000652209323 424080471 /nfs/dbraw/zinc/08/04/71/424080471.db2.gz HNDFDJOYELQDNN-UHFFFAOYSA-N 2 0 292.427 1.723 10 0 CDAERP C[NH2+]C[C@H]1CCCN1C(=O)NCCC[N@H+](C)CC(C)C ZINC000652224840 424081632 /nfs/dbraw/zinc/08/16/32/424081632.db2.gz JCLZZLYXDKFRCD-CQSZACIVSA-N 2 0 284.448 1.358 10 0 CDAERP C[NH2+][C@@H]1CCCN(C(=O)NCCC[N@H+](C)CC(C)C)C1 ZINC000652225015 424082892 /nfs/dbraw/zinc/08/28/92/424082892.db2.gz NGBXKMALPVYJKQ-CQSZACIVSA-N 2 0 284.448 1.358 10 0 CDAERP CC[NH2+]CC1CCN(C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652231623 424102662 /nfs/dbraw/zinc/10/26/62/424102662.db2.gz ASBZFVLOSMCHHH-UHFFFAOYSA-N 2 0 282.432 1.147 10 0 CDAERP CC(C)(C)[NH2+]CCNC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662467616 424112909 /nfs/dbraw/zinc/11/29/09/424112909.db2.gz JMDRZCITXZLVIU-UHFFFAOYSA-N 2 0 294.399 1.260 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000662473156 424118075 /nfs/dbraw/zinc/11/80/75/424118075.db2.gz YBWCUMYQKUYVRQ-QLFBSQMISA-N 2 0 283.460 1.939 10 0 CDAERP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NCCC1(C[NH3+])CC1 ZINC000659559679 424148740 /nfs/dbraw/zinc/14/87/40/424148740.db2.gz PLOXFTQQTVEMNP-CQSZACIVSA-N 2 0 296.459 1.535 10 0 CDAERP C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@H]3CC[NH+]3C(C)(C)C)C[C@@H]21 ZINC000661408563 424327615 /nfs/dbraw/zinc/32/76/15/424327615.db2.gz LAZVFUZMYSZHKO-MCIONIFRSA-N 2 0 294.443 1.205 10 0 CDAERP CCC[C@H]1C[NH2+]CCN1C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659620256 424415092 /nfs/dbraw/zinc/41/50/92/424415092.db2.gz ZMWGWSJDDDSSBR-QWHCGFSZSA-N 2 0 270.421 1.143 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000659624248 424433446 /nfs/dbraw/zinc/43/34/46/424433446.db2.gz PUWZUZWAZFIBNM-BFHYXJOUSA-N 2 0 284.448 1.484 10 0 CDAERP COC[C@H](CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)OC ZINC000665234806 424470847 /nfs/dbraw/zinc/47/08/47/424470847.db2.gz KIWITIWFTLXUQM-XQLPTFJDSA-N 2 0 270.417 1.548 10 0 CDAERP CN1C(=O)c2ccccc2[C@@H]1CN[C@H]1CCC[C@@H]1[NH3+] ZINC000530224246 271167701 /nfs/dbraw/zinc/16/77/01/271167701.db2.gz LGYOXEYKJJMGJS-IHRRRGAJSA-N 2 0 259.353 1.283 10 0 CDAERP CCCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001668059355 1173363987 /nfs/dbraw/zinc/36/39/87/1173363987.db2.gz FGMOMUJGWKWPST-UKRRQHHQSA-N 2 0 281.444 1.613 10 0 CDAERP CC[N@H+](C)CCNC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000166289572 276069382 /nfs/dbraw/zinc/06/93/82/276069382.db2.gz JGPWIIXNYOGJGR-LBPRGKRZSA-N 2 0 255.406 1.080 10 0 CDAERP C[C@@H]1CN(C(=O)NC2CC([NH+]3CCCCC3)C2)[C@@H](C)C[NH2+]1 ZINC000335170527 287899579 /nfs/dbraw/zinc/89/95/79/287899579.db2.gz RKFZJPCQUYBQOB-DNDYEEKYSA-N 2 0 294.443 1.395 10 0 CDAERP COC(=O)[C@@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)C[C@H]1C ZINC000261999275 277091965 /nfs/dbraw/zinc/09/19/65/277091965.db2.gz LCZJAKXCLNJRFT-YRGRVCCFSA-N 2 0 254.374 1.117 10 0 CDAERP CC(C)(C)[NH+]1CCC(N[C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000422987775 277152125 /nfs/dbraw/zinc/15/21/25/277152125.db2.gz JCHRDFMPKAGDCW-JKSUJKDBSA-N 2 0 295.471 1.606 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCOC2)[C@H]2CCC[C@H]21 ZINC000353455182 277171594 /nfs/dbraw/zinc/17/15/94/277171594.db2.gz PQKQZHOXHRUNPS-LJISPDSOSA-N 2 0 252.402 1.875 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000333460191 277393433 /nfs/dbraw/zinc/39/34/33/277393433.db2.gz GGYUDGVTXISQCF-RBSFLKMASA-N 2 0 296.459 1.676 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261982651 277704357 /nfs/dbraw/zinc/70/43/57/277704357.db2.gz MGMIPCVXQOKARA-NFAWXSAZSA-N 2 0 297.443 1.119 10 0 CDAERP COc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000091542863 279286422 /nfs/dbraw/zinc/28/64/22/279286422.db2.gz DWBNFCNOJLFAMA-CHWSQXEVSA-N 2 0 291.395 1.823 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000245412702 279299715 /nfs/dbraw/zinc/29/97/15/279299715.db2.gz AVYSXZZTJJWEKG-FPCVCCKLSA-N 2 0 293.455 1.850 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000261653140 279300833 /nfs/dbraw/zinc/30/08/33/279300833.db2.gz UESGECGYLLDCHV-ZIAGYGMSSA-N 2 0 281.444 1.707 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH2+]Cc3ccccc32)C1 ZINC000250258834 279322431 /nfs/dbraw/zinc/32/24/31/279322431.db2.gz JKXZZTYIMXQMTM-HOCLYGCPSA-N 2 0 287.407 1.474 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000341106172 279357428 /nfs/dbraw/zinc/35/74/28/279357428.db2.gz GINMXKRHACTDQD-GJZGRUSLSA-N 2 0 298.475 1.889 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CC[C@H]1CCCC[NH+]1C ZINC000354821545 288126797 /nfs/dbraw/zinc/12/67/97/288126797.db2.gz XAQBQHGZYZVTSO-IIAWOOMASA-N 2 0 293.455 1.850 10 0 CDAERP [NH2+]=C(NO)[C@@H]1CCCCN1CC[NH+]1CCCCC1 ZINC000368629975 279551599 /nfs/dbraw/zinc/55/15/99/279551599.db2.gz AZQSEMQTAUBUEI-LBPRGKRZSA-N 2 0 254.378 1.283 10 0 CDAERP C[C@H]1C[NH2+]CCN1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000334959778 279905788 /nfs/dbraw/zinc/90/57/88/279905788.db2.gz VTEFGVGYJIMBFS-ZDUSSCGKSA-N 2 0 294.443 1.397 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000418584711 280104319 /nfs/dbraw/zinc/10/43/19/280104319.db2.gz XPSIFYNSZKVXBP-ZIAGYGMSSA-N 2 0 282.432 1.254 10 0 CDAERP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000246245477 280281018 /nfs/dbraw/zinc/28/10/18/280281018.db2.gz HEPPLDMHVOVQHX-TUVASFSCSA-N 2 0 281.444 1.739 10 0 CDAERP C[C@H](O)C[N@@H+]1CCN(CC[NH+]2CCC(C)CC2)C[C@H]1C ZINC000246826003 280305613 /nfs/dbraw/zinc/30/56/13/280305613.db2.gz SIAHTWLLUMDJQJ-CVEARBPZSA-N 2 0 283.460 1.105 10 0 CDAERP CO[C@@H](C)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000248420765 280356288 /nfs/dbraw/zinc/35/62/88/280356288.db2.gz LYTCZFOBUGYUKD-STQMWFEESA-N 2 0 258.406 1.046 10 0 CDAERP C[C@H](Cc1ccccc1)C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000415136728 280740924 /nfs/dbraw/zinc/74/09/24/280740924.db2.gz DHDXCHSQVNADJS-CQSZACIVSA-N 2 0 262.397 1.651 10 0 CDAERP CN(C(=O)[C@H]1CCC[C@@H]([NH3+])C1)C1CC[NH+](C)CC1 ZINC000055086209 288908888 /nfs/dbraw/zinc/90/88/88/288908888.db2.gz ORZSFQUNMWVLMG-NWDGAFQWSA-N 2 0 253.390 1.057 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C(N)=O)nc2)[C@H]2CCC[C@H]21 ZINC000552244551 290062139 /nfs/dbraw/zinc/06/21/39/290062139.db2.gz FCEKNCDNZHTNPH-VNHYZAJKSA-N 2 0 288.395 1.143 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)NC2CC[NH2+]CC2)CC1 ZINC000561152602 293055456 /nfs/dbraw/zinc/05/54/56/293055456.db2.gz MIFYRXROIFYONS-UHFFFAOYSA-N 2 0 282.432 1.160 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1C[C@H](OC(C)C)C1(C)C ZINC000423047144 293098022 /nfs/dbraw/zinc/09/80/22/293098022.db2.gz GOULNVOFJFYFDX-IHRRRGAJSA-N 2 0 272.433 1.922 10 0 CDAERP C[NH+](C)[C@@H]1CCCN(C(=O)c2c[nH+]ccc2N)CC1 ZINC000564993476 293484577 /nfs/dbraw/zinc/48/45/77/293484577.db2.gz YVTFXBGJUROUGZ-LLVKDONJSA-N 2 0 262.357 1.050 10 0 CDAERP COC[C@@H](C)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000569221619 294176985 /nfs/dbraw/zinc/17/69/85/294176985.db2.gz GFSHSYZTXRYWOM-YUTCNCBUSA-N 2 0 256.390 1.097 10 0 CDAERP CC1CCC(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CC1 ZINC000572702023 294674933 /nfs/dbraw/zinc/67/49/33/294674933.db2.gz ONPAWRLQYUUHFF-GPANFISMSA-N 2 0 283.460 1.011 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000573308159 294790939 /nfs/dbraw/zinc/79/09/39/294790939.db2.gz MWFGUKGMZJJEPK-IHRRRGAJSA-N 2 0 282.432 1.301 10 0 CDAERP C[C@@H](NCC[NH+]1CCCCCC1)[C@H]1CCC[NH2+]C1 ZINC000573315705 294792882 /nfs/dbraw/zinc/79/28/82/294792882.db2.gz URYMXKQTWRTNFD-CABCVRRESA-N 2 0 253.434 1.840 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C[N@@H+]1C1CC1 ZINC000574491578 295007508 /nfs/dbraw/zinc/00/75/08/295007508.db2.gz KPQBVSAQNGAUNK-CRWXNKLISA-N 2 0 279.428 1.458 10 0 CDAERP COc1ccccc1[C@@H]1C[NH2+]CCN1C[C@H]1CCC[NH2+]C1 ZINC000262160028 295393792 /nfs/dbraw/zinc/39/37/92/295393792.db2.gz GVFQAKVXWCJMSB-HOCLYGCPSA-N 2 0 289.423 1.641 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)[C@@H]2[NH2+]CCCC2(C)C)CC[NH2+]1 ZINC000417811127 297279878 /nfs/dbraw/zinc/27/98/78/297279878.db2.gz CZQLEQXCYAHPAD-WOPDTQHZSA-N 2 0 253.390 1.021 10 0 CDAERP C[C@H](C(=O)N[C@H]1C[NH2+]CCC1(F)F)[NH+]1CCCCCC1 ZINC000334654809 298192650 /nfs/dbraw/zinc/19/26/50/298192650.db2.gz QVHWSGKFJJKWFN-NEPJUHHUSA-N 2 0 289.370 1.364 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN(C)CCC[NH+](C)C ZINC000575956215 317045939 /nfs/dbraw/zinc/04/59/39/317045939.db2.gz OWKGCYJFLKIAFA-UHFFFAOYSA-N 2 0 287.411 1.959 10 0 CDAERP C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C[NH2+]CCCF ZINC001672305391 1173765200 /nfs/dbraw/zinc/76/52/00/1173765200.db2.gz GLRRGGIPNOMXOM-UONOGXRCSA-N 2 0 287.423 1.372 10 0 CDAERP CN(CCC[NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000577164627 317276051 /nfs/dbraw/zinc/27/60/51/317276051.db2.gz OVXROZQHRBWZIL-LSDHHAIUSA-N 2 0 290.411 1.422 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)[C@H](C)C1 ZINC000577624526 317370845 /nfs/dbraw/zinc/37/08/45/317370845.db2.gz MSVMOCTXTFAHNO-ZNMIVQPWSA-N 2 0 281.444 1.517 10 0 CDAERP CN(C)c1ncccc1CNC(=O)N(C)CCC[NH+](C)C ZINC000185369784 323389336 /nfs/dbraw/zinc/38/93/36/323389336.db2.gz WVINGQZRLDWZGQ-UHFFFAOYSA-N 2 0 293.415 1.241 10 0 CDAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000578996801 324077354 /nfs/dbraw/zinc/07/73/54/324077354.db2.gz HJJQUSRDIIHEAI-ILGZHXLLSA-N 2 0 279.428 1.589 10 0 CDAERP CN(CCC(=O)NCC1([NH+](C)C)CC1)c1cc[nH+]cc1 ZINC000579933483 324318142 /nfs/dbraw/zinc/31/81/42/324318142.db2.gz RGHQXBZWMGFCOG-UHFFFAOYSA-N 2 0 276.384 1.118 10 0 CDAERP C[C@@H](C[C@H]1COCCN1)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000580062824 324354455 /nfs/dbraw/zinc/35/44/55/324354455.db2.gz RZNMGYANVOREEG-JSGCOSHPSA-N 2 0 274.368 1.191 10 0 CDAERP C[C@@H](C[C@@H]1COCCN1)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000580062823 324354569 /nfs/dbraw/zinc/35/45/69/324354569.db2.gz RZNMGYANVOREEG-GXTWGEPZSA-N 2 0 274.368 1.191 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC000580092476 324369131 /nfs/dbraw/zinc/36/91/31/324369131.db2.gz HVSIEIZYXIRGJU-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H]([NH2+]Cc1ccc2c[nH+]cn2c1)C(C)(C)n1cncn1 ZINC000583552318 325196704 /nfs/dbraw/zinc/19/67/04/325196704.db2.gz UFUQSEIXWPRYPO-GFCCVEGCSA-N 2 0 284.367 1.839 10 0 CDAERP CC[NH+]1CCC(C[NH2+]Cc2nccnc2OC)CC1 ZINC000583605150 325206454 /nfs/dbraw/zinc/20/64/54/325206454.db2.gz OUAIMXJSRUMNRZ-UHFFFAOYSA-N 2 0 264.373 1.307 10 0 CDAERP C[C@@H](NCCC[NH+]1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000584285541 327217988 /nfs/dbraw/zinc/21/79/88/327217988.db2.gz CSYMIGAFAQBMQQ-HUUCEWRRSA-N 2 0 253.434 1.840 10 0 CDAERP CN(CC[NH2+]Cc1cncs1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001691437373 1159188046 /nfs/dbraw/zinc/18/80/46/1159188046.db2.gz ILAHBCPFDIOEHV-ZDUSSCGKSA-N 2 0 296.440 1.175 10 0 CDAERP C[NH+](C)C1(C(=O)NCCC[N@@H+](C)C/C=C/Cl)CCC1 ZINC001731246156 1159286361 /nfs/dbraw/zinc/28/63/61/1159286361.db2.gz STCBNJLPLVZJLQ-WEVVVXLNSA-N 2 0 287.835 1.661 10 0 CDAERP CC(C)=CC[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001670784303 1159792779 /nfs/dbraw/zinc/79/27/79/1159792779.db2.gz KVZWQEPJIAFJHU-HNNXBMFYSA-N 2 0 291.439 1.533 10 0 CDAERP CC[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]CC1CC1 ZINC001481884035 1159951960 /nfs/dbraw/zinc/95/19/60/1159951960.db2.gz ZLKLPOVGSHQKRD-CYBMUJFWSA-N 2 0 255.406 1.221 10 0 CDAERP COCC(C)(C)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668784880 482313532 /nfs/dbraw/zinc/31/35/32/482313532.db2.gz JZPNOMLEGJVJQH-AWEZNQCLSA-N 2 0 272.433 1.702 10 0 CDAERP c1[nH+]cn2cc(C[NH2+][C@@H]3CO[C@@H](C4CC4)C3)ccc12 ZINC000668234806 482218999 /nfs/dbraw/zinc/21/89/99/482218999.db2.gz VRGRRMHFUZOGIY-DZGCQCFKSA-N 2 0 257.337 1.991 10 0 CDAERP O=C(C[NH+]1CCC2(CC2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000677717458 482219257 /nfs/dbraw/zinc/21/92/57/482219257.db2.gz ULMOXRADEIIGPO-UHFFFAOYSA-N 2 0 291.439 1.605 10 0 CDAERP C[C@@H](CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@@H]1CCCO1 ZINC000668302763 482363015 /nfs/dbraw/zinc/36/30/15/482363015.db2.gz PATCIGMBVFPSOF-GJZGRUSLSA-N 2 0 299.459 1.143 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)c2ccccc2CC[NH3+])C[N@@H+]1C1CC1 ZINC000653123617 482419657 /nfs/dbraw/zinc/41/96/57/482419657.db2.gz AFDHDHLOCZYSKA-TZMCWYRMSA-N 2 0 287.407 1.543 10 0 CDAERP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)CC1 ZINC000661621435 482435717 /nfs/dbraw/zinc/43/57/17/482435717.db2.gz DXXQSNOVRHUQTL-FVQHAEBGSA-N 2 0 297.487 1.351 10 0 CDAERP C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652337173 482462741 /nfs/dbraw/zinc/46/27/41/482462741.db2.gz PCBOHISPCHVMQN-WFASDCNBSA-N 2 0 287.407 1.418 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)CC[NH2+]C2CC2)CC[N@@H+]1C ZINC000655449216 482494857 /nfs/dbraw/zinc/49/48/57/482494857.db2.gz PKXDEPFDROSYHT-DGCLKSJQSA-N 2 0 253.390 1.070 10 0 CDAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)CC1([NH3+])CCC1 ZINC000237025904 482634374 /nfs/dbraw/zinc/63/43/74/482634374.db2.gz HTIVPOUPSZFIET-HNNXBMFYSA-N 2 0 289.423 1.547 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+][C@H]2CCC[C@H](OC)C2)CC1 ZINC000684389102 482786992 /nfs/dbraw/zinc/78/69/92/482786992.db2.gz JVTNMJQIBKKNMF-HOTGVXAUSA-N 2 0 283.460 1.561 10 0 CDAERP C[C@H](C[NH2+][C@@H](C)CCCC[NH3+])N1C[C@@H](C)O[C@@H](C)C1 ZINC000656201341 482791058 /nfs/dbraw/zinc/79/10/58/482791058.db2.gz WALKDBQRJUKEGU-LJISPDSOSA-N 2 0 271.449 1.591 10 0 CDAERP CC(C)[C@H](C[NH2+][C@H]1CN(C)C[C@@H]1C)c1ccnn1C ZINC000682617880 482848420 /nfs/dbraw/zinc/84/84/20/482848420.db2.gz ZVYSTTNFQSPMJQ-IHRRRGAJSA-N 2 0 264.417 1.699 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000136379052 482915180 /nfs/dbraw/zinc/91/51/80/482915180.db2.gz LDMFKSFRNKOVSN-INIZCTEOSA-N 2 0 291.439 1.950 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000136426847 482918305 /nfs/dbraw/zinc/91/83/05/482918305.db2.gz NNMAXHIXUQJTJM-LSDHHAIUSA-N 2 0 277.412 1.779 10 0 CDAERP C[NH2+][C@H](C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000390740624 482922464 /nfs/dbraw/zinc/92/24/64/482922464.db2.gz LVPCZPRLVMVWJC-ZBFHGGJFSA-N 2 0 289.423 1.623 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NCc1ccc(C(=O)NC2CC2)cc1 ZINC000666860489 482954494 /nfs/dbraw/zinc/95/44/94/482954494.db2.gz HRDQAFJMHSOIHG-WBMJQRKESA-N 2 0 287.407 1.666 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(C(=O)NC2CC2)cc1 ZINC000666878519 482959935 /nfs/dbraw/zinc/95/99/35/482959935.db2.gz DYPSAMCXAIALPI-MLGOLLRUSA-N 2 0 287.407 1.666 10 0 CDAERP CC1(C)CC([NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)CC(C)(C)C1 ZINC000262093767 482970189 /nfs/dbraw/zinc/97/01/89/482970189.db2.gz HLMAAPJBEJEPDM-AAEUAGOBSA-N 2 0 254.418 1.761 10 0 CDAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657976262 483013114 /nfs/dbraw/zinc/01/31/14/483013114.db2.gz NJEDYKDHVOOLDJ-CABCVRRESA-N 2 0 281.444 1.314 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000250330251 483016079 /nfs/dbraw/zinc/01/60/79/483016079.db2.gz DHTBMLRBOSJBCK-ARFHVFGLSA-N 2 0 289.423 1.781 10 0 CDAERP C[C@@H]1C[N@H+](Cc2ccccc2-n2cncn2)C[C@@]1(C)C[NH3+] ZINC000666983189 483033964 /nfs/dbraw/zinc/03/39/64/483033964.db2.gz ZPVCYANXKNVCFX-CZUORRHYSA-N 2 0 285.395 1.684 10 0 CDAERP O=C1CC[C@@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)N1 ZINC000224154631 483049711 /nfs/dbraw/zinc/04/97/11/483049711.db2.gz VHMYLKSWHBLGTO-RFQIPJPRSA-N 2 0 265.401 1.165 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000251680031 483074868 /nfs/dbraw/zinc/07/48/68/483074868.db2.gz HTXVBXLADOCCJJ-XJFOESAGSA-N 2 0 265.401 1.057 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1C(=O)NCC[C@H]1C ZINC000685044939 483078355 /nfs/dbraw/zinc/07/83/55/483078355.db2.gz SPTNFBXDDYFWPR-ABAIWWIYSA-N 2 0 299.378 1.190 10 0 CDAERP c1cc(CN2CC[C@H]([NH+]3CCCC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667568800 483335599 /nfs/dbraw/zinc/33/55/99/483335599.db2.gz RKGHMGXUMDWOBU-INIZCTEOSA-N 2 0 297.406 1.937 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCN(C)C2)[C@H](C)C1 ZINC000675767413 483363780 /nfs/dbraw/zinc/36/37/80/483363780.db2.gz UKUCHPRDOPJGJU-IKGGRYGDSA-N 2 0 297.487 1.807 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)Cc2cnc3n2CCC3)[C@H](C)C1 ZINC000667666270 483375514 /nfs/dbraw/zinc/37/55/14/483375514.db2.gz HODIJRKNYVCSNF-UKRRQHHQSA-N 2 0 276.428 1.991 10 0 CDAERP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2CSC2)CC1 ZINC000679625988 483397372 /nfs/dbraw/zinc/39/73/72/483397372.db2.gz KIZQIFIZDFKFFE-KBPBESRZSA-N 2 0 270.442 1.459 10 0 CDAERP COCCN1CCC([NH2+][C@@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667814966 483445088 /nfs/dbraw/zinc/44/50/88/483445088.db2.gz GCGOCDZWVCVLCY-GJZGRUSLSA-N 2 0 268.401 1.254 10 0 CDAERP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)[C@@H]1C[C@H]1C ZINC000321971083 483484843 /nfs/dbraw/zinc/48/48/43/483484843.db2.gz ZZNLWFIKSHBTOE-HZSPNIEDSA-N 2 0 253.434 1.647 10 0 CDAERP C[N@@H+]1CCC[C@H](N2CC[NH+](CC[C@@H]3CCCCO3)CC2)C1 ZINC000680376890 483602272 /nfs/dbraw/zinc/60/22/72/483602272.db2.gz RKMXIYYZVWPTIQ-IRXDYDNUSA-N 2 0 295.471 1.657 10 0 CDAERP C[N@@H+]1CCC[C@@H](N2CC[NH+](CC3(C)CCC3)CC2)C1 ZINC000683698375 483614799 /nfs/dbraw/zinc/61/47/99/483614799.db2.gz RZKBLVBCNKPFTP-OAHLLOKOSA-N 2 0 265.445 1.888 10 0 CDAERP CC(C)[N@H+](CCCO)C[C@]1(C[NH2+]C(C)(C)C)CCOC1 ZINC000051285390 519644361 /nfs/dbraw/zinc/64/43/61/519644361.db2.gz MZWUJGHIOGNRCE-MRXNPFEDSA-N 2 0 286.460 1.874 10 0 CDAERP CC[NH2+]CC1(C[NH+]2CCC(CO)CC2)CCOCC1 ZINC000052180466 519912518 /nfs/dbraw/zinc/91/25/18/519912518.db2.gz SXGGWECOWNFRLI-UHFFFAOYSA-N 2 0 270.417 1.097 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000061273738 520063717 /nfs/dbraw/zinc/06/37/17/520063717.db2.gz OBJSNWBHYDEWDH-QWHCGFSZSA-N 2 0 257.422 1.467 10 0 CDAERP CC[NH2+][C@@H](CN1CC[NH+]([C@H](C)CC)CC1)C1CC1 ZINC000069075012 520100543 /nfs/dbraw/zinc/10/05/43/520100543.db2.gz YOEKORCUHHEYCX-HIFRSBDPSA-N 2 0 253.434 1.791 10 0 CDAERP CCCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CC)C1 ZINC001713722806 1178722129 /nfs/dbraw/zinc/72/21/29/1178722129.db2.gz UTVLOSNOJUEEAT-KBPBESRZSA-N 2 0 267.417 1.271 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001410185920 1161589281 /nfs/dbraw/zinc/58/92/81/1161589281.db2.gz QDVGFHWZHKAYJH-SYQHCUMBSA-N 2 0 285.407 1.313 10 0 CDAERP CCCCC[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001717497985 1180712428 /nfs/dbraw/zinc/71/24/28/1180712428.db2.gz KJEDYZCGRCLMTB-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@H](C[NH2+]C/C=C/Cl)C1CC1 ZINC001723353243 1181542916 /nfs/dbraw/zinc/54/29/16/1181542916.db2.gz LIPTYVCSOQRUFU-VUUYWXRKSA-N 2 0 285.819 1.319 10 0 CDAERP C[NH2+][C@@H]1CCCCC[C@@H]1N1CCN(CC[NH+](C)C)CC1 ZINC000061643836 522378484 /nfs/dbraw/zinc/37/84/84/522378484.db2.gz PMQDEZULVFWOIV-CVEARBPZSA-N 2 0 282.476 1.086 10 0 CDAERP CCCCC[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001731763338 1182555046 /nfs/dbraw/zinc/55/50/46/1182555046.db2.gz MNIFXCMMIIEQFE-KGLIPLIRSA-N 2 0 269.433 1.613 10 0 CDAERP CC(C)=CC[NH+](C)C[C@H](O)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001734547932 1183821154 /nfs/dbraw/zinc/82/11/54/1183821154.db2.gz ZHZYPAMNXUXXIS-HNNXBMFYSA-N 2 0 299.459 1.044 10 0 CDAERP C([NH2+]C1CC1)[C@H]1CC[C@@H](C[NH+]2CCN(C3CC3)CC2)O1 ZINC000052371403 518398557 /nfs/dbraw/zinc/39/85/57/518398557.db2.gz WDDZUVPHUURWQU-CVEARBPZSA-N 2 0 279.428 1.066 10 0 CDAERP C([NH2+]C1CC1)[C@H]1CC[C@H](C[N@@H+]2CCCOCC2)O1 ZINC000061935869 518398955 /nfs/dbraw/zinc/39/89/55/518398955.db2.gz UJIACGGQZCIAPP-ZIAGYGMSSA-N 2 0 254.374 1.008 10 0 CDAERP CC(C)[NH+]1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000055129264 519680451 /nfs/dbraw/zinc/68/04/51/519680451.db2.gz QCLXTROPYWUSKC-MJBXVCDLSA-N 2 0 267.417 1.303 10 0 CDAERP CC(C)C[NH+]1CCN(Cc2occc2C[NH3+])CC1 ZINC000055082652 519727079 /nfs/dbraw/zinc/72/70/79/519727079.db2.gz HYECJHQCQCFUOJ-UHFFFAOYSA-N 2 0 251.374 1.512 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CC[C@@H](C[NH+]2CCN(C)CC2)O1 ZINC000052379558 519745206 /nfs/dbraw/zinc/74/52/06/519745206.db2.gz HBQHOIQXWNNXBK-GJZGRUSLSA-N 2 0 269.433 1.027 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CC[C@H](C[N@@H+]2CCCN(C)CC2)O1 ZINC000052424384 519745341 /nfs/dbraw/zinc/74/53/41/519745341.db2.gz ISFONZCSVFBFQV-JKSUJKDBSA-N 2 0 283.460 1.417 10 0 CDAERP CC(C)C[NH2+]Cc1cc(CN2CCC[C@H]2C[NH+](C)C)on1 ZINC000061654436 519746798 /nfs/dbraw/zinc/74/67/98/519746798.db2.gz VVYUJPCRMAHVNZ-HNNXBMFYSA-N 2 0 294.443 1.946 10 0 CDAERP CC(C)[C@H]1CC[C@H](O)[C@H]([NH+]2CCN(CC[NH+](C)C)CC2)C1 ZINC000061652688 519826053 /nfs/dbraw/zinc/82/60/53/519826053.db2.gz BRVXNLMYYUILQK-BBWFWOEESA-N 2 0 297.487 1.351 10 0 CDAERP CCC[NH+]1CCN(C[C@H]2CC[C@@H](C[NH2+]C3CC3)O2)CC1 ZINC000052422043 519858571 /nfs/dbraw/zinc/85/85/71/519858571.db2.gz BVMIHFRZVREFRH-JKSUJKDBSA-N 2 0 281.444 1.314 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[NH+]3CCC2CC3)C1 ZINC000364925244 519862939 /nfs/dbraw/zinc/86/29/39/519862939.db2.gz YPYBXGGBGBLBAG-CQSZACIVSA-N 2 0 294.443 1.208 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000061267143 519963289 /nfs/dbraw/zinc/96/32/89/519963289.db2.gz NVASXFAGFAVHTO-NWDGAFQWSA-N 2 0 283.441 1.713 10 0 CDAERP CC[NH2+]Cc1ccc(N2CCC[C@H]2C[NH+](C)C)nn1 ZINC000061654237 519998370 /nfs/dbraw/zinc/99/83/70/519998370.db2.gz MRURERUGPXDGOY-ZDUSSCGKSA-N 2 0 263.389 1.117 10 0 CDAERP CC[NH2+]Cc1cn(CC[N@H+](C)[C@@H](C)CC(C)C)nn1 ZINC000052571926 520012384 /nfs/dbraw/zinc/01/23/84/520012384.db2.gz OUBOQJNOVBIFRZ-ZDUSSCGKSA-N 2 0 267.421 1.754 10 0 CDAERP CC[NH2+][C@@H]1c2ccccc2OC[C@H]1N1CC[C@H]([NH+](C)C)C1 ZINC000062964990 520125870 /nfs/dbraw/zinc/12/58/70/520125870.db2.gz GXJJLAXWLRSXPT-YSVLISHTSA-N 2 0 289.423 1.734 10 0 CDAERP CCCO[C@H]1CCC[N@H+](Cc2cccnc2C[NH3+])C1 ZINC000061656766 520285503 /nfs/dbraw/zinc/28/55/03/520285503.db2.gz YQWAMWNRHZWDOM-AWEZNQCLSA-N 2 0 263.385 1.931 10 0 CDAERP CCO[C@@H](C[NH3+])CC[NH+]1CCN(c2nccs2)CC1 ZINC000062740867 520309382 /nfs/dbraw/zinc/30/93/82/520309382.db2.gz DSLXZCYIKKUZEJ-GFCCVEGCSA-N 2 0 284.429 1.019 10 0 CDAERP CCO[C@H](C[NH3+])CC[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000062741162 520516387 /nfs/dbraw/zinc/51/63/87/520516387.db2.gz UHJUQHDKXJDRHD-JSGCOSHPSA-N 2 0 258.406 1.487 10 0 CDAERP CCC[C@@H](C)NC(=O)CN1CCC[N@H+](CCCC[NH3+])CC1 ZINC000049287654 520654667 /nfs/dbraw/zinc/65/46/67/520654667.db2.gz XXLKQLKPPUYTKO-OAHLLOKOSA-N 2 0 298.475 1.038 10 0 CDAERP CCC[C@@H]1CC[C@@H](O)[C@H]([NH+]2CCN(CC[NH+](C)C)CC2)C1 ZINC000061652697 520829099 /nfs/dbraw/zinc/82/90/99/520829099.db2.gz CXNSPQXYRFDWRO-BRWVUGGUSA-N 2 0 297.487 1.495 10 0 CDAERP CC[N@H+](CCOC)CC1(C[NH2+]CC(C)C)CCOCC1 ZINC000052183293 521135223 /nfs/dbraw/zinc/13/52/23/521135223.db2.gz NBNRXXPKADMOFX-UHFFFAOYSA-N 2 0 286.460 1.997 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000055090309 521548849 /nfs/dbraw/zinc/54/88/49/521548849.db2.gz AHLPCANLYFLGEU-KGLIPLIRSA-N 2 0 267.417 1.352 10 0 CDAERP CCC(CC)[N@H+](CCO)Cc1ccc[nH+]c1NN ZINC000052721408 521552828 /nfs/dbraw/zinc/55/28/28/521552828.db2.gz FNWBLVHXPUBYIO-UHFFFAOYSA-N 2 0 252.362 1.350 10 0 CDAERP CC[NH+]1CCC(N(C)Cc2csc(C[NH3+])n2)CC1 ZINC000052544015 521563381 /nfs/dbraw/zinc/56/33/81/521563381.db2.gz YBSBKJNECCQSKL-UHFFFAOYSA-N 2 0 268.430 1.518 10 0 CDAERP CCCN(CC[NH+](C)C)Cc1ccoc1C[NH2+]C ZINC000052544189 521658088 /nfs/dbraw/zinc/65/80/88/521658088.db2.gz YMKVGNZCFUGSAH-UHFFFAOYSA-N 2 0 253.390 1.773 10 0 CDAERP CCSCC[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000364852354 521708708 /nfs/dbraw/zinc/70/87/08/521708708.db2.gz HHMCYLIMIGJGAF-CYBMUJFWSA-N 2 0 272.458 1.830 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)C[C@@H]1CCCC[NH2+]1 ZINC000061652089 521829717 /nfs/dbraw/zinc/82/97/17/521829717.db2.gz VFFGSNDIRGWNJO-STQMWFEESA-N 2 0 253.390 1.071 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1CC(C)(C)C[NH2+]C1CC1 ZINC000061653539 521836990 /nfs/dbraw/zinc/83/69/90/521836990.db2.gz WJKKNDIQRIUEJA-AWEZNQCLSA-N 2 0 253.434 1.791 10 0 CDAERP C[NH2+]C(C)(C)C(=O)NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000061318441 521935505 /nfs/dbraw/zinc/93/55/05/521935505.db2.gz YVKXBZCWIHRIHH-LBPRGKRZSA-N 2 0 255.406 1.221 10 0 CDAERP C[NH2+]CC1(CN2CC[NH+](C3CCCC3)CC2)CCOCC1 ZINC000052198304 521968898 /nfs/dbraw/zinc/96/88/98/521968898.db2.gz ZDSXWSKCEMDCRY-UHFFFAOYSA-N 2 0 295.471 1.563 10 0 CDAERP C[NH2+]C[C@H]1CC[C@H](CN2CC[NH+](CC(C)C)CC2)O1 ZINC000055082780 522096717 /nfs/dbraw/zinc/09/67/17/522096717.db2.gz MWMNUMUCGAIAIR-HUUCEWRRSA-N 2 0 269.433 1.027 10 0 CDAERP C[NH2+][C@@H](C)C1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000068875144 522321496 /nfs/dbraw/zinc/32/14/96/522321496.db2.gz XGOFATKFOMRPRH-WCBMZHEXSA-N 2 0 254.296 1.230 10 0 CDAERP C[NH2+][C@H](C)c1cnc(N2CCC[N@H+](C)CC2)s1 ZINC000054899128 522452908 /nfs/dbraw/zinc/45/29/08/522452908.db2.gz CBAUHZZIOUYIFW-SNVBAGLBSA-N 2 0 254.403 1.565 10 0 CDAERP COC1CC[NH+](C[C@H]2CC[C@@H](C[NH2+]C(C)C)O2)CC1 ZINC000052455420 522704165 /nfs/dbraw/zinc/70/41/65/522704165.db2.gz HORMJSMXWUIALJ-LSDHHAIUSA-N 2 0 270.417 1.643 10 0 CDAERP COCC[N@@H+](Cc1cccnc1C[NH3+])CC(C)C ZINC000061656741 523763319 /nfs/dbraw/zinc/76/33/19/523763319.db2.gz KWBUYDVPWQSLEZ-UHFFFAOYSA-N 2 0 251.374 1.645 10 0 CDAERP C[NH+]1CCC(OC(=O)CCC2CC[NH2+]CC2)CC1 ZINC000050928838 523780579 /nfs/dbraw/zinc/78/05/79/523780579.db2.gz FGUXJDMAQPOGRL-UHFFFAOYSA-N 2 0 254.374 1.404 10 0 CDAERP C[NH+]1CCC(Oc2cccc(C[NH2+]C3CC3)n2)CC1 ZINC000051522068 523782681 /nfs/dbraw/zinc/78/26/81/523782681.db2.gz ZTARZCFSAIRGGO-UHFFFAOYSA-N 2 0 261.369 1.807 10 0 CDAERP CC[C@H](C)[NH+]1CCN(c2nc3ccccn3c2C[NH3+])CC1 ZINC000055068765 523961995 /nfs/dbraw/zinc/96/19/95/523961995.db2.gz FOYIEUKOOQWLHK-ZDUSSCGKSA-N 2 0 287.411 1.714 10 0 CDAERP CNC(=O)C1CC[NH+]([C@@H](CC[NH3+])c2ccccc2)CC1 ZINC000055015968 524050050 /nfs/dbraw/zinc/05/00/50/524050050.db2.gz OYXZZWDRNSKHMZ-HNNXBMFYSA-N 2 0 275.396 1.535 10 0 CDAERP C[NH+](C)CCCNC(=O)[C@H]1CCC[C@@H](CC[NH3+])C1 ZINC000055145854 524056330 /nfs/dbraw/zinc/05/63/30/524056330.db2.gz DUJWVCGLAMEUOA-STQMWFEESA-N 2 0 255.406 1.210 10 0 CDAERP C[C@H](CCC[NH2+]C1CC1)[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061654641 524142562 /nfs/dbraw/zinc/14/25/62/524142562.db2.gz JHANYOQARGYXDR-UKRRQHHQSA-N 2 0 253.434 1.933 10 0 CDAERP C[C@@H]1CCC[C@@H](C(=O)N2CC[NH+](C(C)(C)C)CC2)[C@@H]1[NH3+] ZINC000055141086 524265283 /nfs/dbraw/zinc/26/52/83/524265283.db2.gz CNGWCVXBHCGJCI-MGPQQGTHSA-N 2 0 281.444 1.693 10 0 CDAERP C[C@H](CNC(=O)C[C@@H]1CCC[NH2+]C1)C[NH+]1CCCCC1 ZINC000054308309 524386544 /nfs/dbraw/zinc/38/65/44/524386544.db2.gz WDLXRRLXTVHCAK-CABCVRRESA-N 2 0 281.444 1.614 10 0 CDAERP C[C@H](C[NH2+]C(C)(C)C)N1CC[NH+](CC2CC2)CC1 ZINC000052372404 524478415 /nfs/dbraw/zinc/47/84/15/524478415.db2.gz DQOMPCSIZMITBV-CYBMUJFWSA-N 2 0 253.434 1.791 10 0 CDAERP C[C@@H](C[NH+]1CCCC1)NC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000061612848 524590658 /nfs/dbraw/zinc/59/06/58/524590658.db2.gz WHUOTXIOKKOGCK-DZGCQCFKSA-N 2 0 275.396 1.329 10 0 CDAERP C[C@H]1C[C@H](C(=O)NCC[NH+]2CCCCC2)CC[C@@H]1[NH3+] ZINC000055138342 524868950 /nfs/dbraw/zinc/86/89/50/524868950.db2.gz BOBSJNAANPZCBD-MJBXVCDLSA-N 2 0 267.417 1.352 10 0 CDAERP Cc1nnc(N2CC[NH+](CC(C)C)CC2)c(C[NH3+])c1C ZINC000055076828 526358892 /nfs/dbraw/zinc/35/88/92/526358892.db2.gz IAQJQWFHISIVJF-UHFFFAOYSA-N 2 0 277.416 1.330 10 0 CDAERP Cc1nc(N2CCC[C@@H]2C[NH+](C)C)sc1C[NH3+] ZINC000061655577 526965578 /nfs/dbraw/zinc/96/55/78/526965578.db2.gz UCKARRUGGYGVJX-SNVBAGLBSA-N 2 0 254.403 1.441 10 0 CDAERP [NH3+]C[C@@H](C[N@@H+]1CCC[C@@H]1CCCO)c1ccccc1 ZINC000052758257 527202436 /nfs/dbraw/zinc/20/24/36/527202436.db2.gz CVZQBOVLJBVQMB-JKSUJKDBSA-N 2 0 262.397 1.966 10 0 CDAERP [NH3+]C[C@]1(N2CC[NH+](C3CC3)CC2)CCCc2ccccc21 ZINC000048991887 527243790 /nfs/dbraw/zinc/24/37/90/527243790.db2.gz PHNLGMKIZDNEGI-GOSISDBHSA-N 2 0 285.435 1.957 10 0 CDAERP [NH3+]Cc1ccoc1CN1CC[NH+](C2CCCC2)CC1 ZINC000052573499 527262436 /nfs/dbraw/zinc/26/24/36/527262436.db2.gz IEWBERLYENDJFD-UHFFFAOYSA-N 2 0 263.385 1.799 10 0 CDAERP [NH3+][C@@H]1CCC[C@H](C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000246204338 527356427 /nfs/dbraw/zinc/35/64/27/527356427.db2.gz FGACNBXWXNGJKK-QLFBSQMISA-N 2 0 279.428 1.448 10 0 CDAERP [NH3+][C@H]1CCC[C@H](CC(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000055132655 527406846 /nfs/dbraw/zinc/40/68/46/527406846.db2.gz URGYCPQDJQQZJB-GJZGRUSLSA-N 2 0 293.455 1.981 10 0 CDAERP Cc1nccn1CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000049331246 527426849 /nfs/dbraw/zinc/42/68/49/527426849.db2.gz UBFSHMNLLMRTLH-CABCVRRESA-N 2 0 262.401 1.656 10 0 CDAERP CC(C)[NH+](CCCNC(=O)N[C@H]1C[NH2+]CC[C@H]1C)C(C)C ZINC000417800053 528884122 /nfs/dbraw/zinc/88/41/22/528884122.db2.gz SHCKSAWDSBWOFK-CABCVRRESA-N 2 0 298.475 1.793 10 0 CDAERP CC(C)[NH+](CCCNC(=O)N[C@H]1CC[NH2+]C[C@H]1C)C(C)C ZINC000417796315 535054186 /nfs/dbraw/zinc/05/41/86/535054186.db2.gz OASPYNXTFJPVIM-CABCVRRESA-N 2 0 298.475 1.793 10 0 CDAERP CCn1cc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cn1 ZINC000121092732 536045205 /nfs/dbraw/zinc/04/52/05/536045205.db2.gz GNBKUHBIZJFLCH-AWEZNQCLSA-N 2 0 294.443 1.428 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCCCCO)CC1 ZINC000116399806 536355321 /nfs/dbraw/zinc/35/53/21/536355321.db2.gz GFZVCVKSOJZLNQ-MRXNPFEDSA-N 2 0 283.460 1.251 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](c1cccc(F)c1)N(C)C ZINC000422726820 536850232 /nfs/dbraw/zinc/85/02/32/536850232.db2.gz GAIYAOJJRXTABN-HOTGVXAUSA-N 2 0 297.418 1.772 10 0 CDAERP C[NH+](C)CC(=O)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000065288725 538227716 /nfs/dbraw/zinc/22/77/16/538227716.db2.gz QWFZASBRHDZRHR-CQSZACIVSA-N 2 0 267.417 1.415 10 0 CDAERP CC(C)(C)OC(=O)C1(C[NH3+])CC[NH+](C2CC2)CC1 ZINC000725243870 538445537 /nfs/dbraw/zinc/44/55/37/538445537.db2.gz AJBCBWLLMNXKDA-UHFFFAOYSA-N 2 0 254.374 1.531 10 0 CDAERP C[C@@H]1CN(C[C@H](O)C[N@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000730079338 574851813 /nfs/dbraw/zinc/85/18/13/574851813.db2.gz SMGWNTPOTWXMJO-NVXWUHKLSA-N 2 0 291.439 1.115 10 0 CDAERP Cc1nn(C)c2sc([C@H]3CC[C@@H](C[NH3+])C[NH2+]3)cc12 ZINC000757206417 574904902 /nfs/dbraw/zinc/90/49/02/574904902.db2.gz ADYXYFWVMUEQGN-GXSJLCMTSA-N 2 0 264.398 1.943 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CO[C@@H](C)[C@H]1C ZINC000926685839 617446926 /nfs/dbraw/zinc/44/69/26/617446926.db2.gz LZPKTKYGRZAHTQ-XGUBFFRZSA-N 2 0 271.449 1.271 10 0 CDAERP C[C@@H]1OC[C@@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)[C@@H]1C ZINC000926356413 617493822 /nfs/dbraw/zinc/49/38/22/617493822.db2.gz HWAFVAIGKYSHAA-HZSPNIEDSA-N 2 0 269.433 1.025 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCC(=O)Nc2ccccn2)C1 ZINC000925597968 617541520 /nfs/dbraw/zinc/54/15/20/617541520.db2.gz RRBFQCBMFXBUQN-CHWSQXEVSA-N 2 0 290.411 1.906 10 0 CDAERP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1CC[C@H](CO)CC1)[NH2+]2 ZINC000925614250 617559316 /nfs/dbraw/zinc/55/93/16/617559316.db2.gz HMCRUVXYHNANIE-LACSLYJWSA-N 2 0 252.402 1.656 10 0 CDAERP CC1(C)C[C@@H]([NH2+]C[C@@H]2COC3(CCOCC3)O2)C[C@@H]([NH3+])C1 ZINC000925628493 617576370 /nfs/dbraw/zinc/57/63/70/617576370.db2.gz HPKJDFVXZOSDHU-HZSPNIEDSA-N 2 0 298.427 1.404 10 0 CDAERP CC[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)[C@H]1CCOC1 ZINC000925842559 617875095 /nfs/dbraw/zinc/87/50/95/617875095.db2.gz AIRWCBAHOHMTMT-HOTGVXAUSA-N 2 0 283.460 1.467 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000933754019 617612160 /nfs/dbraw/zinc/61/21/60/617612160.db2.gz XTSREIWNHLQLRU-GUTXKFCHSA-N 2 0 265.401 1.058 10 0 CDAERP COCC[C@H](COC)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925677599 617645481 /nfs/dbraw/zinc/64/54/81/617645481.db2.gz VQLISHXBOHELNP-YNEHKIRRSA-N 2 0 258.406 1.534 10 0 CDAERP CC1(C)CO[C@H](CC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000925776379 617669077 /nfs/dbraw/zinc/66/90/77/617669077.db2.gz XVPFNYLGWKWVSL-KLHDSHLOSA-N 2 0 296.455 1.938 10 0 CDAERP C1CCC([C@@H]2C[NH2+]CC[C@H]2N[C@H]2CCC[NH2+]C2)C1 ZINC000925700838 617747102 /nfs/dbraw/zinc/74/71/02/617747102.db2.gz WUEVTRSYQDEELI-SOUVJXGZSA-N 2 0 251.418 1.496 10 0 CDAERP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc[nH]n3)C2)[C@@H]1C(C)C ZINC000888098042 617759644 /nfs/dbraw/zinc/75/96/44/617759644.db2.gz YFSFHKMEWRCXEX-WCVJEAGWSA-N 2 0 292.427 1.369 10 0 CDAERP CC1(C)[C@H]([NH2+]CCO[C@H]2CC2(F)F)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925712153 617811737 /nfs/dbraw/zinc/81/17/37/617811737.db2.gz PNXXXLJKBNUARR-NOOOWODRSA-N 2 0 274.355 1.777 10 0 CDAERP C[C@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000925833394 617858805 /nfs/dbraw/zinc/85/88/05/617858805.db2.gz HJSNMXUGHPEZET-QJPTWQEYSA-N 2 0 281.366 1.989 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000925835630 617864544 /nfs/dbraw/zinc/86/45/44/617864544.db2.gz UXZCVURUDOBCSH-VLEAKVRGSA-N 2 0 266.307 1.956 10 0 CDAERP Cc1cc(CC[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)nn1C ZINC000925836020 617865351 /nfs/dbraw/zinc/86/53/51/617865351.db2.gz ZEMHWEADBMCSGN-GXTWGEPZSA-N 2 0 264.417 1.767 10 0 CDAERP COC(=O)C1CC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923373201 618322693 /nfs/dbraw/zinc/32/26/93/618322693.db2.gz LUOCOAOQVSJMHG-LQDVMPOASA-N 2 0 280.412 1.792 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CCN(CCC[NH2+]C2CC2)C1 ZINC000923416486 618327790 /nfs/dbraw/zinc/32/77/90/618327790.db2.gz XJLMGZBONCBHST-HNNXBMFYSA-N 2 0 253.434 1.825 10 0 CDAERP CC(C)C[C@@H](C(N)=O)[N@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923424649 618328923 /nfs/dbraw/zinc/32/89/23/618328923.db2.gz AHGOZWUUUWRQNA-DKUMPPAJSA-N 2 0 281.444 1.739 10 0 CDAERP COCCC[NH+]1CCC([NH2+][C@@H]2CO[C@H](C)[C@H]2C)CC1 ZINC000924911300 618746771 /nfs/dbraw/zinc/74/67/71/618746771.db2.gz FMBBTKUQIIGNRQ-UMVBOHGHSA-N 2 0 270.417 1.500 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC[N@@H+]1C ZINC000928439182 619082949 /nfs/dbraw/zinc/08/29/49/619082949.db2.gz IEUZKOLNSAHHGF-VNQPRFMTSA-N 2 0 293.455 1.992 10 0 CDAERP COC(=O)[C@H]1[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1(F)F ZINC000894912786 619139704 /nfs/dbraw/zinc/13/97/04/619139704.db2.gz XQBNYIFQELUCLT-OLSMOAAXSA-N 2 0 288.338 1.256 10 0 CDAERP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000924628088 621596861 /nfs/dbraw/zinc/59/68/61/621596861.db2.gz HJZDEHMUYJOEDA-FICVDOATSA-N 2 0 283.460 1.273 10 0 CDAERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCOC23CCOCC3)C1 ZINC000924706947 621681471 /nfs/dbraw/zinc/68/14/71/621681471.db2.gz RWRXAERVZKIETG-ZIAGYGMSSA-N 2 0 268.401 1.256 10 0 CDAERP C[C@H](C(=O)N1CC([NH+]2CCCC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000898612463 621818993 /nfs/dbraw/zinc/81/89/93/621818993.db2.gz GNIDVNOEIMNREQ-HZSPNIEDSA-N 2 0 279.428 1.554 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC000898838331 621887901 /nfs/dbraw/zinc/88/79/01/621887901.db2.gz FFSKWLNLMCWNIY-OLZOCXBDSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C23CCC3)CC[N@@H+]1C ZINC000898830486 621890484 /nfs/dbraw/zinc/89/04/84/621890484.db2.gz FOAUEJBHVRAMCS-BYNSBNAKSA-N 2 0 293.455 1.706 10 0 CDAERP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C12CC[NH+](CC1)C2 ZINC000900354345 622902874 /nfs/dbraw/zinc/90/28/74/622902874.db2.gz YRZXBHFAPJWUGA-RBSFLKMASA-N 2 0 293.455 1.565 10 0 CDAERP O=C(N1CCC[C@@H]1C[NH+]1CCCCC1)C12CC[NH+](CC1)C2 ZINC000900542447 623225533 /nfs/dbraw/zinc/22/55/33/623225533.db2.gz VCHSWOVJPMXVIT-OAHLLOKOSA-N 2 0 291.439 1.559 10 0 CDAERP C[N@@H+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCCC[NH+]3C)C[C@]2(C)C1 ZINC000900751945 623413460 /nfs/dbraw/zinc/41/34/60/623413460.db2.gz VOOSFCAPIAHBIN-VYDXJSESSA-N 2 0 293.455 1.661 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000900803311 623506737 /nfs/dbraw/zinc/50/67/37/623506737.db2.gz ZJOXWVJXBCENBA-UONOGXRCSA-N 2 0 279.428 1.413 10 0 CDAERP CC(C)N(C)C(=O)C1CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903430777 625990078 /nfs/dbraw/zinc/99/00/78/625990078.db2.gz ATSPCUOJKANYBP-HIFRSBDPSA-N 2 0 281.444 1.421 10 0 CDAERP C[N@@H+](CC(=O)NCc1cccs1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903438659 625992198 /nfs/dbraw/zinc/99/21/98/625992198.db2.gz YIUJQFDOCCBLNG-NEPJUHHUSA-N 2 0 281.425 1.424 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(C2CCOCC2)CC1 ZINC000903460802 625995657 /nfs/dbraw/zinc/99/56/57/625995657.db2.gz ILLHGHIJUDVUGZ-CJNGLKHVSA-N 2 0 266.429 1.981 10 0 CDAERP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@H]2CCC[NH2+]2)cn1 ZINC000903463628 625996364 /nfs/dbraw/zinc/99/63/64/625996364.db2.gz HDCDMIWCMIMSJR-ZNMIVQPWSA-N 2 0 262.401 1.473 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN(c3ccc(Cl)cn3)CC2)C1 ZINC000903442653 625997048 /nfs/dbraw/zinc/99/70/48/625997048.db2.gz WHFGAUFMBIEVHU-GXTWGEPZSA-N 2 0 294.830 1.984 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000903442252 625997146 /nfs/dbraw/zinc/99/71/46/625997146.db2.gz MIIIBOHIRCCXME-UHDSXZAQSA-N 2 0 295.471 1.416 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000903444255 625997825 /nfs/dbraw/zinc/99/78/25/625997825.db2.gz RDBVCHKDCDRWMY-RRFJBIMHSA-N 3 0 251.418 1.532 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000903444588 625998425 /nfs/dbraw/zinc/99/84/25/625998425.db2.gz DELOXZQAWQIVFJ-KBMXLJTQSA-N 2 0 265.445 1.506 10 0 CDAERP COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903456750 626002441 /nfs/dbraw/zinc/00/24/41/626002441.db2.gz KOLJPQMFGNSMAJ-RGDJUOJXSA-N 2 0 266.385 1.115 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000903490857 626010600 /nfs/dbraw/zinc/01/06/00/626010600.db2.gz KLFMEMZHTHNNGF-BJJXKVORSA-N 2 0 292.354 1.538 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C[C@H](C)CC(C)C)C2 ZINC000903493577 626011105 /nfs/dbraw/zinc/01/11/05/626011105.db2.gz VTHGJUHGHBCZHB-CTASWTNQSA-N 2 0 282.428 1.881 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1nc(C)cs1)C2 ZINC000903493442 626011109 /nfs/dbraw/zinc/01/11/09/626011109.db2.gz RYRDKIMHIFJFKB-WDMOLILDSA-N 2 0 295.408 1.164 10 0 CDAERP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496521 626012077 /nfs/dbraw/zinc/01/20/77/626012077.db2.gz QSWMFGXRHQXJHD-QCODTGAPSA-N 2 0 295.471 1.987 10 0 CDAERP [NH3+][C@@H]1CN(CC[C@@H]2CCC[NH2+]C2)CC[C@H]1C(F)(F)F ZINC000903540383 626015943 /nfs/dbraw/zinc/01/59/43/626015943.db2.gz NNVGXDXVDRGEDA-QJPTWQEYSA-N 2 0 279.350 1.588 10 0 CDAERP [NH3+]CCOCC[N@@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000903565194 626021123 /nfs/dbraw/zinc/02/11/23/626021123.db2.gz FWOWDYSPRHBKGM-GFCCVEGCSA-N 2 0 269.414 1.373 10 0 CDAERP C([NH2+][C@H]1CCCC12CCOCC2)[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903757325 626088004 /nfs/dbraw/zinc/08/80/04/626088004.db2.gz CHADRSHSCCMABS-HRCADAONSA-N 2 0 294.439 1.694 10 0 CDAERP C([C@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CCCSC[C@@H]1C1CC1 ZINC000903827728 626105763 /nfs/dbraw/zinc/10/57/63/626105763.db2.gz VMXKLKCHAZMNHN-ZIAGYGMSSA-N 2 0 282.453 1.725 10 0 CDAERP COC(=O)[C@H](C)[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCC1 ZINC000903914518 626134288 /nfs/dbraw/zinc/13/42/88/626134288.db2.gz IMWMUWYIDHAXQP-FUDCBSFHSA-N 2 0 280.412 1.933 10 0 CDAERP CCS(=O)(=O)C[C@@H](C)[N@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903892888 626134575 /nfs/dbraw/zinc/13/45/75/626134575.db2.gz OJMYODHQIIUOFR-RLAWYHOSSA-N 2 0 288.457 1.272 10 0 CDAERP CSC[C@@H]1CCC[N@@H+]1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903897282 626136899 /nfs/dbraw/zinc/13/68/99/626136899.db2.gz GSMWYTDWVKAFNL-OLZOCXBDSA-N 2 0 295.456 1.530 10 0 CDAERP C[C@@H]1CC[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)CCS1 ZINC000903912941 626145275 /nfs/dbraw/zinc/14/52/75/626145275.db2.gz KOAPHOJUWBKFTQ-OLZOCXBDSA-N 2 0 295.456 1.530 10 0 CDAERP O=C1C[C@@]2(CC[N@H+](Cc3cccc4c3CC[NH2+]C4)C2)CN1 ZINC000903913348 626145338 /nfs/dbraw/zinc/14/53/38/626145338.db2.gz OPVSFVUNMXHJCE-KRWDZBQOSA-N 2 0 285.391 1.044 10 0 CDAERP CC1(C[NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)CCC1 ZINC000903924854 626148910 /nfs/dbraw/zinc/14/89/10/626148910.db2.gz ITQZVVZFQKCAHJ-GFCCVEGCSA-N 2 0 263.389 1.482 10 0 CDAERP Cc1c(C[C@H](C[NH3+])CN2CCCCC[C@H]([NH3+])C2)cnn1C ZINC000903935967 626153962 /nfs/dbraw/zinc/15/39/62/626153962.db2.gz WSSXYMWTUOQOSK-ZBFHGGJFSA-N 2 0 293.459 1.049 10 0 CDAERP CC(C)[C@@H](C[NH3+])CN1CCc2sc(C[NH3+])nc2C1 ZINC000903945434 626163490 /nfs/dbraw/zinc/16/34/90/626163490.db2.gz VABADBSPIARDGD-JTQLQIEISA-N 2 0 268.430 1.191 10 0 CDAERP CC(C)n1cc(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cn1 ZINC000903974508 626169191 /nfs/dbraw/zinc/16/91/91/626169191.db2.gz QACUUQLUGXWVQK-TZMCWYRMSA-N 2 0 250.390 1.799 10 0 CDAERP C[C@@H]1C[N@H+](Cc2ccc(-n3cncn3)cc2)C[C@H]1CC[NH3+] ZINC000903977550 626169873 /nfs/dbraw/zinc/16/98/73/626169873.db2.gz SUZROFMTJQYVAS-UKRRQHHQSA-N 2 0 285.395 1.684 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cccs1)C2 ZINC000903978611 626170029 /nfs/dbraw/zinc/17/00/29/626170029.db2.gz HVGLHPKFDSUMKT-WDMOLILDSA-N 2 0 280.393 1.460 10 0 CDAERP C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000903967416 626172134 /nfs/dbraw/zinc/17/21/34/626172134.db2.gz JHDUPZNRJRFLQC-APIJFGDWSA-N 2 0 253.434 1.742 10 0 CDAERP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)CC2 ZINC000903968324 626172770 /nfs/dbraw/zinc/17/27/70/626172770.db2.gz SRVZQCJEJSGCGU-UHOFOFEASA-N 2 0 274.408 1.998 10 0 CDAERP COC(=O)C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@H]1C ZINC000903986112 626173867 /nfs/dbraw/zinc/17/38/67/626173867.db2.gz FVERVKDFMBBOLM-DGCLKSJQSA-N 2 0 254.374 1.117 10 0 CDAERP CC(C)(C)[NH2+]CCNC(=[NH2+])NC[C@@H]1CCCS1 ZINC000905041412 626380530 /nfs/dbraw/zinc/38/05/30/626380530.db2.gz GBXMDTZSAXPADC-JTQLQIEISA-N 2 0 258.435 1.384 10 0 CDAERP CCCC[N@H+](C)CCNC(=[NH2+])NC[C@@H]1CCCS1 ZINC000905042666 626382155 /nfs/dbraw/zinc/38/21/55/626382155.db2.gz QISUDSIJAJGOGF-LBPRGKRZSA-N 2 0 272.462 1.728 10 0 CDAERP [NH2+]=C(NC[C@H]1CCCS1)NCC1CC[NH+](C2CC2)CC1 ZINC000905046744 626384789 /nfs/dbraw/zinc/38/47/89/626384789.db2.gz JAAZXNUTPBDNQP-CQSZACIVSA-N 2 0 296.484 1.870 10 0 CDAERP CN(C(=O)[C@@H]1CCCCCC[C@H]1[NH3+])c1cc(C[NH3+])ccn1 ZINC000906228960 627157746 /nfs/dbraw/zinc/15/77/46/627157746.db2.gz KVHBFWFJXABKJQ-ZIAGYGMSSA-N 2 0 290.411 1.801 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000909260876 628595255 /nfs/dbraw/zinc/59/52/55/628595255.db2.gz CODHHPQNLMKJDI-CYBMUJFWSA-N 2 0 265.401 1.025 10 0 CDAERP C[C@H](C(=O)N1CC[C@@H]([NH+]2CCC2)C1)[NH+]1CCCCCC1 ZINC000912915662 630284423 /nfs/dbraw/zinc/28/44/23/630284423.db2.gz IBVWJQPVLFJLGT-HUUCEWRRSA-N 2 0 279.428 1.558 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)CC[N@@H+]1C ZINC000913272842 630426093 /nfs/dbraw/zinc/42/60/93/630426093.db2.gz BLRGLJCBJDSNGE-RRCSTGOVSA-N 2 0 279.428 1.127 10 0 CDAERP O[C@H](C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)C1(O)CCCC1 ZINC000929698118 630708809 /nfs/dbraw/zinc/70/88/09/630708809.db2.gz YNESBXGPLRRXKI-HUUCEWRRSA-N 2 0 282.428 1.070 10 0 CDAERP CC[NH+](CC)C[C@H]1CCN(C[C@@H]2CCC3(COC3)O2)C1 ZINC000929749057 630730360 /nfs/dbraw/zinc/73/03/60/630730360.db2.gz NPSQRLCFZZPSNT-CABCVRRESA-N 2 0 282.428 1.598 10 0 CDAERP CC[NH+](CC)C[C@@H]1CCN(C[C@@H]2CCC3(COC3)O2)C1 ZINC000929749059 630730385 /nfs/dbraw/zinc/73/03/85/630730385.db2.gz NPSQRLCFZZPSNT-GJZGRUSLSA-N 2 0 282.428 1.598 10 0 CDAERP COCCC[N@H+](C)CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001690983348 1158513111 /nfs/dbraw/zinc/51/31/11/1158513111.db2.gz GLPRQESRMWIDKW-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)[NH2+]CCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001266741525 1158797667 /nfs/dbraw/zinc/79/76/67/1158797667.db2.gz XSYJZNXFSQETNE-KGLIPLIRSA-N 2 0 267.417 1.460 10 0 CDAERP CC(C)=CC[NH+]1CCC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001691112876 1158915544 /nfs/dbraw/zinc/91/55/44/1158915544.db2.gz MCSJQDKUZKEWHA-HNNXBMFYSA-N 2 0 281.444 1.873 10 0 CDAERP CCCCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001698823855 1159055085 /nfs/dbraw/zinc/05/50/85/1159055085.db2.gz KUOSLXRPSIGJRR-RRFJBIMHSA-N 2 0 283.460 1.953 10 0 CDAERP CCCCC[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001662415315 1158729798 /nfs/dbraw/zinc/72/97/98/1158729798.db2.gz SOHKUPNAUJZASH-STQMWFEESA-N 2 0 255.406 1.223 10 0 CDAERP c1nc2n(n1)[C@@H](C[N@@H+]1CCCC3(CC[NH2+]CC3)C1)CC2 ZINC001772531964 1158735119 /nfs/dbraw/zinc/73/51/19/1158735119.db2.gz SWGKEDTXEJDYFW-CYBMUJFWSA-N 2 0 275.400 1.231 10 0 CDAERP CC(C)[NH+]1CC(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001267701323 1159571246 /nfs/dbraw/zinc/57/12/46/1159571246.db2.gz PNBHFLACBQORAV-CHWSQXEVSA-N 2 0 267.417 1.316 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001269436744 1160058676 /nfs/dbraw/zinc/05/86/76/1160058676.db2.gz AMKOBPGUDUTHAU-GFCCVEGCSA-N 2 0 255.406 1.365 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001270066709 1160087220 /nfs/dbraw/zinc/08/72/20/1160087220.db2.gz MXUVTTWASUAUTE-HNNXBMFYSA-N 2 0 281.444 1.851 10 0 CDAERP O=C(CCC12CC(C1)C[NH2+]2)N1CC[NH+](C2CCCC2)CC1 ZINC000870862304 1165223144 /nfs/dbraw/zinc/22/31/44/1165223144.db2.gz JAWONHWLOJLIIY-UHFFFAOYSA-N 2 0 291.439 1.605 10 0 CDAERP O=C(CCC12CC(C1)C[NH2+]2)NC1CC[NH+](C2CC2)CC1 ZINC000870860381 1165223573 /nfs/dbraw/zinc/22/35/73/1165223573.db2.gz LDPIKLKUNRPHLE-UHFFFAOYSA-N 2 0 277.412 1.262 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC000870907396 1165231000 /nfs/dbraw/zinc/23/10/00/1165231000.db2.gz RQTCKMFNKDTNMH-JJRVBVJISA-N 2 0 291.439 1.591 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH2+]CC=C(Cl)Cl ZINC001275038151 1166655723 /nfs/dbraw/zinc/65/57/23/1166655723.db2.gz GUCLPSRKWHMHPA-SNVBAGLBSA-N 2 0 296.242 1.740 10 0 CDAERP CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC001645893425 1167557192 /nfs/dbraw/zinc/55/71/92/1167557192.db2.gz TYTVIWQJGRNRDI-KBPBESRZSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@@H]1CN(C(=O)C[NH2+]C(C)(C)C)CCN1c1cc[nH+]cc1 ZINC001647426555 1168679412 /nfs/dbraw/zinc/67/94/12/1168679412.db2.gz FFPBOHULFOTFSK-CYBMUJFWSA-N 2 0 290.411 1.507 10 0 CDAERP CCOCC[NH2+]CC1(NC(=O)[C@@H]2CCC[N@@H+]2C)CCCC1 ZINC001567995745 1169111565 /nfs/dbraw/zinc/11/15/65/1169111565.db2.gz ZSSMCWMDJQXHLT-AWEZNQCLSA-N 2 0 297.443 1.136 10 0 CDAERP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)C[NH2+]C/C=C/Cl ZINC001568176448 1169162298 /nfs/dbraw/zinc/16/22/98/1169162298.db2.gz UUGMTCWIHRBVHA-ZCRIDZFUSA-N 2 0 287.835 1.565 10 0 CDAERP C[C@@H]1C[C@@H]2CC[C@H](C(=O)NC[C@H](C3CC3)[NH+](C)C)C[N@@H+]2C1 ZINC001649284318 1169170289 /nfs/dbraw/zinc/17/02/89/1169170289.db2.gz MRGHBHMORYFWMB-SYAUCNOPSA-N 2 0 293.455 1.563 10 0 CDAERP CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001568338993 1169254167 /nfs/dbraw/zinc/25/41/67/1169254167.db2.gz LHQHDIVNOQNZBH-KGLIPLIRSA-N 2 0 269.433 1.469 10 0 CDAERP CCC[NH2+]CCN(CC)C(=O)C1([NH+](C)C)CCC1 ZINC001568747878 1169461527 /nfs/dbraw/zinc/46/15/27/1169461527.db2.gz TZCCBTPMRQHTPW-UHFFFAOYSA-N 2 0 255.406 1.319 10 0 CDAERP CCN(CC[NH2+]CC1CC1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001568754063 1169463213 /nfs/dbraw/zinc/46/32/13/1169463213.db2.gz MWRIGDYTLNCCGT-CQSZACIVSA-N 2 0 267.417 1.319 10 0 CDAERP CCOCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001569856464 1170018787 /nfs/dbraw/zinc/01/87/87/1170018787.db2.gz SYOMSGIDPXFJTK-CABCVRRESA-N 2 0 299.459 1.047 10 0 CDAERP COCC[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)CC1 ZINC001570185257 1170104424 /nfs/dbraw/zinc/10/44/24/1170104424.db2.gz IOHHCOQAXRPIAG-HNNXBMFYSA-N 2 0 299.459 1.335 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC[C@H](C)F)C1)[NH+](C)C ZINC001571129388 1170339392 /nfs/dbraw/zinc/33/93/92/1170339392.db2.gz GFTRPNXYVMOWEK-XDQVBPFNSA-N 2 0 287.423 1.559 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H](C[NH2+]CCC2CC2)C1 ZINC001571191949 1170343896 /nfs/dbraw/zinc/34/38/96/1170343896.db2.gz IHHJIXFPXNFUKZ-SHTZXODSSA-N 2 0 279.428 1.367 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001656237809 1171799347 /nfs/dbraw/zinc/79/93/47/1171799347.db2.gz PJMWDZNBTMCTTM-SHTZXODSSA-N 2 0 281.444 1.757 10 0 CDAERP C[NH+]1CCC(C(=O)N2CCC[C@H](C[NH2+]CCCF)C2)CC1 ZINC001661815631 1172451190 /nfs/dbraw/zinc/45/11/90/1172451190.db2.gz ZRMIHVQFDHZQDG-CQSZACIVSA-N 2 0 299.434 1.516 10 0 CDAERP CC[NH2+]CCN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001664186757 1172821202 /nfs/dbraw/zinc/82/12/02/1172821202.db2.gz SISCKJWYXUVCDZ-AWEZNQCLSA-N 2 0 273.396 1.267 10 0 CDAERP CC[C@H](F)C[NH2+]CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001664264005 1172830561 /nfs/dbraw/zinc/83/05/61/1172830561.db2.gz FKBMTNQOYYYBHA-AWEZNQCLSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001666482463 1173139220 /nfs/dbraw/zinc/13/92/20/1173139220.db2.gz PWGDDLYYSYSNQL-HUUCEWRRSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)OCCC[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001690298270 1175430651 /nfs/dbraw/zinc/43/06/51/1175430651.db2.gz FWBQGSHWUBIZGW-SHTZXODSSA-N 2 0 297.443 1.134 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]C/C=C/Cl)C1 ZINC001690418300 1175466246 /nfs/dbraw/zinc/46/62/46/1175466246.db2.gz OGZZFZZHOHTBIZ-HMJDLUCASA-N 2 0 299.846 1.661 10 0 CDAERP CC[C@@H](C)C[NH+]1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001692328179 1175737928 /nfs/dbraw/zinc/73/79/28/1175737928.db2.gz SOBZMCUQDBKWSA-CYBMUJFWSA-N 2 0 269.433 1.422 10 0 CDAERP CC[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CCCF ZINC001698599675 1175866213 /nfs/dbraw/zinc/86/62/13/1175866213.db2.gz FMWHRIBDPIOBND-KBPBESRZSA-N 2 0 285.407 1.172 10 0 CDAERP CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001698826669 1175951702 /nfs/dbraw/zinc/95/17/02/1175951702.db2.gz GQHLMNNVSPSJBX-MELADBBJSA-N 2 0 269.433 1.563 10 0 CDAERP C[C@H](C[NH2+]CCF)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001698840694 1175958052 /nfs/dbraw/zinc/95/80/52/1175958052.db2.gz BFWTVFVGEJYZFG-XQQFMLRXSA-N 2 0 273.396 1.123 10 0 CDAERP CC(C)[C@H](C(=O)NC/C=C\C[NH2+]CC1CC1)[NH+]1CCCC1 ZINC001699346382 1176284183 /nfs/dbraw/zinc/28/41/83/1176284183.db2.gz UEXQYMPUVYHMNR-MJSXRHKHSA-N 2 0 293.455 1.779 10 0 CDAERP C[C@H](C[NH2+]Cc1cccc(Cl)n1)NC(=O)CC[NH+](C)C ZINC001699377687 1176337962 /nfs/dbraw/zinc/33/79/62/1176337962.db2.gz YYFKYENVZDFSPK-LLVKDONJSA-N 2 0 298.818 1.281 10 0 CDAERP Cc1oncc1C[NH2+]CCCN(C)C(=O)C[N@@H+](C)C(C)C ZINC001699554546 1176473354 /nfs/dbraw/zinc/47/33/54/1176473354.db2.gz SPORBSXVSIAFFI-UHFFFAOYSA-N 2 0 296.415 1.261 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001699951192 1176694154 /nfs/dbraw/zinc/69/41/54/1176694154.db2.gz GGSXKGXMKPZSMI-HOTGVXAUSA-N 2 0 293.455 1.875 10 0 CDAERP CCCCC[NH2+][C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001700274341 1176827910 /nfs/dbraw/zinc/82/79/10/1176827910.db2.gz NNYXOQSEEFLXFX-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP CCOCC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001700318693 1176847893 /nfs/dbraw/zinc/84/78/93/1176847893.db2.gz VNFBOCLMJHPLLB-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@H](CCC[NH2+]CCF)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001700681279 1177071410 /nfs/dbraw/zinc/07/14/10/1177071410.db2.gz MFWLGKKEGIRDFW-OLZOCXBDSA-N 2 0 273.396 1.172 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001713360621 1178519376 /nfs/dbraw/zinc/51/93/76/1178519376.db2.gz MISGSIKBHWEWTA-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)C[C@H](C)C[NH2+]CCN(C)C(=O)C[NH+]1CCCC1 ZINC001713664547 1178701297 /nfs/dbraw/zinc/70/12/97/1178701297.db2.gz XRSPIDYAPRRJET-HNNXBMFYSA-N 2 0 283.460 1.812 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]C(C)C ZINC001714073922 1178960829 /nfs/dbraw/zinc/96/08/29/1178960829.db2.gz OYQLFSUDWUVELQ-ZIAGYGMSSA-N 2 0 267.417 1.221 10 0 CDAERP CCCC[NH2+]C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001714362206 1179104722 /nfs/dbraw/zinc/10/47/22/1179104722.db2.gz QQFUNJPAKBNVCR-CQSZACIVSA-N 2 0 269.433 1.566 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]CC[C@@H](C)F ZINC001714795875 1179400801 /nfs/dbraw/zinc/40/08/01/1179400801.db2.gz CEWYNMHDEZGRNV-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)OCC[NH2+]CCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001714796991 1179402896 /nfs/dbraw/zinc/40/28/96/1179402896.db2.gz JHANWNNRRBKRLN-GASCZTMLSA-N 2 0 299.459 1.332 10 0 CDAERP COCCC[NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001714804479 1179405176 /nfs/dbraw/zinc/40/51/76/1179405176.db2.gz VSWHKEPBOYLXDU-HNNXBMFYSA-N 2 0 299.459 1.191 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](CCO)C(C)C ZINC001714831850 1179413965 /nfs/dbraw/zinc/41/39/65/1179413965.db2.gz GIQFTAWSQMATGC-OAHLLOKOSA-N 2 0 299.459 1.070 10 0 CDAERP CC/C=C\CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001714990738 1179493997 /nfs/dbraw/zinc/49/39/97/1179493997.db2.gz SXVVPCHEULUPGW-XFCCUVRLSA-N 2 0 293.455 1.970 10 0 CDAERP CCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C)CC1 ZINC001714989516 1179494200 /nfs/dbraw/zinc/49/42/00/1179494200.db2.gz GCIUXTRVOPSMCS-HOTGVXAUSA-N 2 0 293.455 1.804 10 0 CDAERP CC/C=C/CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001714992455 1179496834 /nfs/dbraw/zinc/49/68/34/1179496834.db2.gz PDDFANKOTJKQOZ-GHNZZDGLSA-N 2 0 291.439 1.580 10 0 CDAERP C[C@@H](C[NH2+]CCC1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001715322306 1179623037 /nfs/dbraw/zinc/62/30/37/1179623037.db2.gz DUMUUZLGCXYPTH-JSGCOSHPSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@@H](C[NH2+]CC=C(Cl)Cl)N(C)C(=O)CC[NH+](C)C ZINC001715359414 1179641772 /nfs/dbraw/zinc/64/17/72/1179641772.db2.gz YBMAJXBQGOTHFU-JTQLQIEISA-N 2 0 296.242 1.694 10 0 CDAERP CCCC[NH2+]C/C=C\CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001715866616 1179882301 /nfs/dbraw/zinc/88/23/01/1179882301.db2.gz BNTFXFVPWCHSTB-GXMNPTEKSA-N 2 0 267.417 1.390 10 0 CDAERP CC(C)CCC[NH2+]C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001715954868 1179938960 /nfs/dbraw/zinc/93/89/60/1179938960.db2.gz IJZSELTVHPFICQ-CQSZACIVSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]CC[C@H](C)F ZINC001715962869 1179942830 /nfs/dbraw/zinc/94/28/30/1179942830.db2.gz QTJPNCNWUADCOM-NWDGAFQWSA-N 2 0 261.385 1.169 10 0 CDAERP CC/C=C\CC[NH2+]CC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001716187907 1180089452 /nfs/dbraw/zinc/08/94/52/1180089452.db2.gz SYTLLOIAUMIXBM-XVWMLYKFSA-N 2 0 293.455 1.923 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC/C=C/C[NH2+]CC1CC1 ZINC001716304207 1180148681 /nfs/dbraw/zinc/14/86/81/1180148681.db2.gz BCDYTLLXYFPJTF-XYBNCVKDSA-N 2 0 279.428 1.533 10 0 CDAERP CCC[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001716333655 1180159324 /nfs/dbraw/zinc/15/93/24/1180159324.db2.gz CENISQGBPDUXLW-YVACAVLKSA-N 2 0 281.444 1.780 10 0 CDAERP CC/C=C\CC[NH2+]C[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001716437682 1180209123 /nfs/dbraw/zinc/20/91/23/1180209123.db2.gz UKRSPSPLFMHQOC-KBSCQGNFSA-N 2 0 293.455 1.779 10 0 CDAERP CCCC[NH2+]C[C@@]1(C)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001716880985 1180451633 /nfs/dbraw/zinc/45/16/33/1180451633.db2.gz YKVHEQRATNFXBO-DOTOQJQBSA-N 2 0 295.471 1.957 10 0 CDAERP [NH3+][C@H]1CCCC[C@@H]1C(=O)NCCC[NH+]1CCCCCC1 ZINC000163611262 1180515107 /nfs/dbraw/zinc/51/51/07/1180515107.db2.gz VJXSQXCWNBUABW-GJZGRUSLSA-N 2 0 281.444 1.886 10 0 CDAERP CCCC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001717304644 1180611531 /nfs/dbraw/zinc/61/15/31/1180611531.db2.gz NMLTYRQHTVKNSC-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC1CC(C[NH2+]CCF)C1 ZINC001717386613 1180642409 /nfs/dbraw/zinc/64/24/09/1180642409.db2.gz MMVXVVSFMFPGLW-YMAMQOFZSA-N 2 0 299.434 1.561 10 0 CDAERP CCCC[N@H+](C)[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001717494812 1180708669 /nfs/dbraw/zinc/70/86/69/1180708669.db2.gz MHILLSGXNCYOJV-ZDUSSCGKSA-N 2 0 267.417 1.319 10 0 CDAERP CCC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001717660781 1180781051 /nfs/dbraw/zinc/78/10/51/1180781051.db2.gz CCAJUMNXLDHEQO-OLZOCXBDSA-N 2 0 255.406 1.365 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@H]2CC[C@@H](C[NH2+]CCCF)C2)CC1 ZINC001717879592 1180909049 /nfs/dbraw/zinc/90/90/49/1180909049.db2.gz QXUPHLIEEQUAGP-KGLIPLIRSA-N 2 0 299.434 1.562 10 0 CDAERP CC[NH+]1CCC([C@H](C)NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001717985641 1180957248 /nfs/dbraw/zinc/95/72/48/1180957248.db2.gz QHUFCVGMGAXPSW-ZDUSSCGKSA-N 2 0 269.433 1.563 10 0 CDAERP CC[C@@H](F)C[N@H+]1CC=C(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001718033128 1180976326 /nfs/dbraw/zinc/97/63/26/1180976326.db2.gz ZUMXQOHBOMVCAX-OAHLLOKOSA-N 2 0 297.418 1.579 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CCCF ZINC001723022185 1181511208 /nfs/dbraw/zinc/51/12/08/1181511208.db2.gz IMZQVHASVCHNKN-AWEZNQCLSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)CC[NH2+]CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001723174929 1181523356 /nfs/dbraw/zinc/52/33/56/1181523356.db2.gz AHEQPFJZTVFVJV-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP COCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001724565797 1181695844 /nfs/dbraw/zinc/69/58/44/1181695844.db2.gz ZGEZADTUMSLDPR-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)COCC[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001724939609 1181801151 /nfs/dbraw/zinc/80/11/51/1181801151.db2.gz BOYFEKPTUIYBPY-GJZGRUSLSA-N 2 0 299.459 1.047 10 0 CDAERP CC(C)COCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001724939613 1181801578 /nfs/dbraw/zinc/80/15/78/1181801578.db2.gz BOYFEKPTUIYBPY-LSDHHAIUSA-N 2 0 299.459 1.047 10 0 CDAERP CCC[NH2+]C1(C)CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001724961988 1181808875 /nfs/dbraw/zinc/80/88/75/1181808875.db2.gz POYXEAHAZBRXGL-UHFFFAOYSA-N 2 0 269.433 1.709 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CCC1 ZINC001725520613 1182034934 /nfs/dbraw/zinc/03/49/34/1182034934.db2.gz NRTJKJWFLPFISE-GXTWGEPZSA-N 2 0 267.417 1.175 10 0 CDAERP CC[N@H+](C)CCN(C(=O)[C@@H]1CC[NH+](C)C1)C(C)C ZINC001725734265 1182114882 /nfs/dbraw/zinc/11/48/82/1182114882.db2.gz ZBKUTADVRRVHHY-CYBMUJFWSA-N 2 0 255.406 1.127 10 0 CDAERP COC[C@@H](C)[N@H+](C)CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001731259417 1182279691 /nfs/dbraw/zinc/27/96/91/1182279691.db2.gz KSXKACYGHIHCFZ-CQSZACIVSA-N 2 0 299.459 1.334 10 0 CDAERP CC[N@@H+](CC=C(C)C)CCCNC(=O)C[NH+]1CCCC1 ZINC001731323946 1182317722 /nfs/dbraw/zinc/31/77/22/1182317722.db2.gz LOPMXOVVPUVRJR-UHFFFAOYSA-N 2 0 281.444 1.877 10 0 CDAERP CC(C)[NH2+][C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001731407045 1182367628 /nfs/dbraw/zinc/36/76/28/1182367628.db2.gz VJPJJSRXJRCIJY-JSGCOSHPSA-N 2 0 267.417 1.221 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001731631975 1182491485 /nfs/dbraw/zinc/49/14/85/1182491485.db2.gz AYNGNSPBQAMMFM-STQMWFEESA-N 2 0 255.406 1.079 10 0 CDAERP CCC[NH2+]C[C@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001731677725 1182514850 /nfs/dbraw/zinc/51/48/50/1182514850.db2.gz GLURNKRYSJGGFD-CQSZACIVSA-N 2 0 269.433 1.566 10 0 CDAERP CC(C)[C@H](C(=O)N(C)CC[NH2+]CCF)[NH+]1CCCCC1 ZINC001731988611 1182716095 /nfs/dbraw/zinc/71/60/95/1182716095.db2.gz YHGAIADBVILYBN-CQSZACIVSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)C[NH+]1CC(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001732137347 1182795547 /nfs/dbraw/zinc/79/55/47/1182795547.db2.gz GWEPERJLKMCWDD-CYBMUJFWSA-N 2 0 267.417 1.032 10 0 CDAERP CCC[N@@H+]1CC[C@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001732170895 1182828189 /nfs/dbraw/zinc/82/81/89/1182828189.db2.gz PTCHMSMQOFDZQQ-AWEZNQCLSA-N 2 0 269.433 1.661 10 0 CDAERP CCCC[NH2+][C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001732314298 1182903615 /nfs/dbraw/zinc/90/36/15/1182903615.db2.gz PNTMOOJOTCZZOD-SHTZXODSSA-N 2 0 293.455 1.899 10 0 CDAERP CCCCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001732344212 1182917032 /nfs/dbraw/zinc/91/70/32/1182917032.db2.gz UNQSXJYSIGWMBB-GOEBONIOSA-N 2 0 295.471 1.860 10 0 CDAERP CC(C)C[C@H](C[NH2+]CCF)NC(=O)Cc1ncc[nH]1 ZINC001732469883 1182981681 /nfs/dbraw/zinc/98/16/81/1182981681.db2.gz OPMSDDUDIPWACC-LLVKDONJSA-N 2 0 270.352 1.042 10 0 CDAERP COCCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001732497704 1182989854 /nfs/dbraw/zinc/98/98/54/1182989854.db2.gz DHVFERRCRUQGII-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001732709264 1183094408 /nfs/dbraw/zinc/09/44/08/1183094408.db2.gz UWOBQYIPPBCAKA-KBPBESRZSA-N 2 0 269.433 1.611 10 0 CDAERP CCN(CC[NH2+]CCF)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001732823255 1183141849 /nfs/dbraw/zinc/14/18/49/1183141849.db2.gz DVHBEOVLHSLUCY-UHFFFAOYSA-N 2 0 299.434 1.516 10 0 CDAERP CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001732909059 1183181084 /nfs/dbraw/zinc/18/10/84/1183181084.db2.gz QSCZPFLBZAOZRL-AFNCTOJWSA-N 2 0 267.417 1.531 10 0 CDAERP C[C@@H](C[NH2+]CCC1CC1)NC(=O)C1CC[NH+](C)CC1 ZINC001733011418 1183236314 /nfs/dbraw/zinc/23/63/14/1183236314.db2.gz AXRQQPUJJAQALZ-LBPRGKRZSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)[NH2+]CCCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001733107895 1183294400 /nfs/dbraw/zinc/29/44/00/1183294400.db2.gz XDYWANRHKQCOLH-GJZGRUSLSA-N 2 0 281.444 1.850 10 0 CDAERP Cc1conc1C[NH2+]CCCN(C)C(=O)C[N@@H+](C)C(C)C ZINC001733145795 1183307494 /nfs/dbraw/zinc/30/74/94/1183307494.db2.gz WHOZYVPDZZGKAN-UHFFFAOYSA-N 2 0 296.415 1.261 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001733212303 1183340970 /nfs/dbraw/zinc/34/09/70/1183340970.db2.gz WEVBQQGWRDKGMM-XTYCPRDBSA-N 2 0 293.455 1.873 10 0 CDAERP CCC[NH2+]C[C@]1(C)CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001733442572 1183433591 /nfs/dbraw/zinc/43/35/91/1183433591.db2.gz OHXHCNXMMBDXFL-HNNXBMFYSA-N 2 0 269.433 1.566 10 0 CDAERP CC[NH2+]CC[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001733675962 1183494303 /nfs/dbraw/zinc/49/43/03/1183494303.db2.gz JACKKLVGWFVHFV-ZDUSSCGKSA-N 2 0 255.406 1.175 10 0 CDAERP CCOCCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001733991537 1183605282 /nfs/dbraw/zinc/60/52/82/1183605282.db2.gz SNHSFPRFIOUTML-UONOGXRCSA-N 2 0 299.459 1.238 10 0 CDAERP CCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001734432264 1183777746 /nfs/dbraw/zinc/77/77/46/1183777746.db2.gz LWPPTRWRPSFOTA-ZIAGYGMSSA-N 2 0 267.417 1.461 10 0 CDAERP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)N[C@H]1CC[C@H]2C[NH+](C)C[C@@H]21 ZINC001772437096 1187231187 /nfs/dbraw/zinc/23/11/87/1187231187.db2.gz ONFLOWOFVQGHJM-AJNGGQMLSA-N 2 0 294.443 1.062 10 0 CDAERP C[NH+](C)CC[C@H](N[C@H]1C[C@@H]([NH3+])C12CCC2)c1cccnc1 ZINC000925828047 728764037 /nfs/dbraw/zinc/76/40/37/728764037.db2.gz UEOQCHPTIQWLFA-XHSDSOJGSA-N 2 0 288.439 1.934 10 0 CDAERP C[N@@H+]1CCN(C(=O)CC[NH2+]CC2CC2)CCC1(C)C ZINC000717165121 728772834 /nfs/dbraw/zinc/77/28/34/728772834.db2.gz LJSUOIFWPGEYDL-UHFFFAOYSA-N 2 0 267.417 1.319 10 0 CDAERP CC1(C)CC[C@H](CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)[NH2+]C1 ZINC000872308872 728779251 /nfs/dbraw/zinc/77/92/51/728779251.db2.gz KVOQEAXQXTWAJU-ZAZJYDDPSA-N 2 0 265.401 1.008 10 0 CDAERP C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)CCn1cccn1 ZINC000707407674 728781707 /nfs/dbraw/zinc/78/17/07/728781707.db2.gz COHKJSGJZAMZJO-GOOCMWNKSA-N 2 0 262.401 1.736 10 0 CDAERP CC1(C)C[C@@H]([NH2+]C[C@H]2CCCNC2=O)C[C@@H]([NH3+])C1 ZINC000925686399 728784204 /nfs/dbraw/zinc/78/42/04/728784204.db2.gz SUOPLHPOEYSYKE-UTUOFQBUSA-N 2 0 253.390 1.008 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC000119868481 1164509799 /nfs/dbraw/zinc/50/97/99/1164509799.db2.gz SNXOIQPWIMVXOZ-UHFFFAOYSA-N 2 0 281.444 1.707 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+][C@@H](CO)C[C@@H](O)c2ccccc2)C12CCC2 ZINC000925627054 728805597 /nfs/dbraw/zinc/80/55/97/728805597.db2.gz VWCWTWIYOLWJTF-FPCVCCKLSA-N 2 0 290.407 1.331 10 0 CDAERP CC[N@@H+]1CC[C@H](C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000710868818 728832758 /nfs/dbraw/zinc/83/27/58/728832758.db2.gz XUWDDXJUUSFABI-CYBMUJFWSA-N 2 0 297.443 1.785 10 0 CDAERP C[NH+](C)CC[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)c1cccnc1 ZINC000928827365 728846481 /nfs/dbraw/zinc/84/64/81/728846481.db2.gz AUBPRGOKZCCHEM-HUUCEWRRSA-N 2 0 290.411 1.285 10 0 CDAERP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925879725 728857208 /nfs/dbraw/zinc/85/72/08/728857208.db2.gz JFNOQSAPMPJPJI-UKMLZYKCSA-N 3 0 261.413 1.662 10 0 CDAERP [NH3+]CCCCCC[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872148802 728866940 /nfs/dbraw/zinc/86/69/40/728866940.db2.gz HKFUNLSFLXMOJC-MNOVXSKESA-N 3 0 267.339 1.575 10 0 CDAERP C[C@@H](NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1)c1cccs1 ZINC000723889972 728867506 /nfs/dbraw/zinc/86/75/06/728867506.db2.gz CCWYEQOSKVITGY-JHJVBQTASA-N 2 0 295.452 1.842 10 0 CDAERP COC/C(C)=C\CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000929694393 728878500 /nfs/dbraw/zinc/87/85/00/728878500.db2.gz AKEWKKUUIWBJGU-NUKWSGDCSA-N 2 0 252.402 1.997 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@@H](C)N1CCCCC1 ZINC000850059604 728882680 /nfs/dbraw/zinc/88/26/80/728882680.db2.gz KTPZIQCARDARQS-XJFOESAGSA-N 2 0 268.401 1.648 10 0 CDAERP C[NH+](C)C1(C)CCC([NH2+]C[C@H](O)CC(C)(C)O)CC1 ZINC000872228876 728885342 /nfs/dbraw/zinc/88/53/42/728885342.db2.gz MKULTLDNGQZQSF-JVWICGRDSA-N 2 0 272.433 1.361 10 0 CDAERP C[C@H]1CN(C(=O)CC[NH2+]C(C)(C)C)C[C@H]1[NH+](C)C ZINC000123785717 728890654 /nfs/dbraw/zinc/89/06/54/728890654.db2.gz OTNWNNXOKHJVJQ-NWDGAFQWSA-N 2 0 255.406 1.173 10 0 CDAERP CC[C@@H]1CCN(C(=[NH2+])NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000864456456 728891156 /nfs/dbraw/zinc/89/11/56/728891156.db2.gz JEKHMIBUGBDLMO-RDBSUJKOSA-N 2 0 280.416 1.106 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1nc2cc(F)ccc2n1C ZINC000817903660 728892492 /nfs/dbraw/zinc/89/24/92/728892492.db2.gz HOVRATOXBKZRKZ-LBPRGKRZSA-N 2 0 294.374 1.556 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H](O)CC(C)(C)C ZINC000925088729 728897864 /nfs/dbraw/zinc/89/78/64/728897864.db2.gz MLFAQJBJDPAFFT-WJLOJVBCSA-N 2 0 254.418 1.713 10 0 CDAERP C[NH+](C)CCCCCCCNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000851655089 728920872 /nfs/dbraw/zinc/92/08/72/728920872.db2.gz LTGWEHYMPLHATB-UHFFFAOYSA-N 2 0 296.459 1.550 10 0 CDAERP O=C(C1CC[NH+](C2CC2)CC1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000868034621 728928238 /nfs/dbraw/zinc/92/82/38/728928238.db2.gz GOAVSZLASYYONV-ZBFHGGJFSA-N 2 0 291.439 1.461 10 0 CDAERP C[NH+](C)CC1(O)CC[NH+](CCSc2ccncc2)CC1 ZINC000931480062 728927563 /nfs/dbraw/zinc/92/75/63/728927563.db2.gz KYJORHHUNGEHSK-UHFFFAOYSA-N 2 0 295.452 1.562 10 0 CDAERP CC[C@@H]1C[N@H+](CC)CCN1C(=O)N[C@@H]1CC[NH+](C)[C@H]1C ZINC000925344129 728933253 /nfs/dbraw/zinc/93/32/53/728933253.db2.gz YPXGMVUCTGQDKC-BFHYXJOUSA-N 2 0 282.432 1.205 10 0 CDAERP Cc1cccnc1NC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000866665424 728940800 /nfs/dbraw/zinc/94/08/00/728940800.db2.gz WLQQZSYYOXEGAG-CYBMUJFWSA-N 2 0 276.384 1.389 10 0 CDAERP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)C(C)(C)CO ZINC000925092758 728951672 /nfs/dbraw/zinc/95/16/72/728951672.db2.gz DKSRKGGIODOIEP-KGLIPLIRSA-N 2 0 284.444 1.484 10 0 CDAERP C[NH+](C)CC1(O)CC[NH+](CCCc2cccnc2)CC1 ZINC000931480414 728379825 /nfs/dbraw/zinc/37/98/25/728379825.db2.gz BJYQVBJSBKBLSE-UHFFFAOYSA-N 2 0 277.412 1.403 10 0 CDAERP CCOC[C@H](C)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925843291 728390048 /nfs/dbraw/zinc/39/00/48/728390048.db2.gz DPBGVPAZXJNLLT-AWEZNQCLSA-N 2 0 257.422 1.077 10 0 CDAERP C[N@@H+]1CCN(C(=O)c2cccc(C[NH3+])c2)CCC1(C)C ZINC000712690400 728397288 /nfs/dbraw/zinc/39/72/88/728397288.db2.gz QVMURDJDFJFYRN-UHFFFAOYSA-N 2 0 275.396 1.702 10 0 CDAERP C[C@@H]1[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC[N@@H+]1C ZINC000925321598 728434776 /nfs/dbraw/zinc/43/47/76/728434776.db2.gz NGEDBDSRVDLIJI-RBSFLKMASA-N 2 0 294.443 1.349 10 0 CDAERP C[NH+]1CCC2(CCC[N@H+](C[C@@H]3C[C@@H]4COC[C@H]4O3)C2)CC1 ZINC000930309989 728435828 /nfs/dbraw/zinc/43/58/28/728435828.db2.gz PTRCWOWDUJMDKI-OWCLPIDISA-N 2 0 294.439 1.598 10 0 CDAERP COC[C@H](C[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)C(C)C ZINC000721912872 728438217 /nfs/dbraw/zinc/43/82/17/728438217.db2.gz DTEOVNOKZNZNHE-SDDRHHMPSA-N 2 0 282.350 1.974 10 0 CDAERP COC1CCN(CC[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925543430 728456457 /nfs/dbraw/zinc/45/64/57/728456457.db2.gz SUKBQFOPKVFTEM-KBPBESRZSA-N 2 0 283.460 1.593 10 0 CDAERP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923513490 728462615 /nfs/dbraw/zinc/46/26/15/728462615.db2.gz AWFDWOWRKLWUPQ-KBUPBQIOSA-N 2 0 281.444 1.693 10 0 CDAERP CC1(C)[C@H](NC2CC[NH+](C3CC3)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925517515 728463848 /nfs/dbraw/zinc/46/38/48/728463848.db2.gz VUZNBTDXLFHSFQ-OWCLPIDISA-N 2 0 277.456 1.979 10 0 CDAERP CCc1noc(C)c1C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923500703 728467960 /nfs/dbraw/zinc/46/79/60/728467960.db2.gz WXMOXEHZDCJOKU-CMPLNLGQSA-N 2 0 251.374 1.962 10 0 CDAERP CCC[C@H](C(=O)OCC)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723887556 728475080 /nfs/dbraw/zinc/47/50/80/728475080.db2.gz UTJPDRVIHDSXMP-JHJVBQTASA-N 2 0 256.390 1.635 10 0 CDAERP COCCN1CCC([NH2+][C@@H](C2CCC2)[C@H]2CCOC2)CC1 ZINC000866510953 728478841 /nfs/dbraw/zinc/47/88/41/728478841.db2.gz RNEZPOZDLRSMIV-RDJZCZTQSA-N 2 0 296.455 1.892 10 0 CDAERP C[C@H](C(=O)N(C)c1ccccc1)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923504361 728480533 /nfs/dbraw/zinc/48/05/33/728480533.db2.gz QTTJHKJAXZHXLK-RBSFLKMASA-N 2 0 289.423 1.955 10 0 CDAERP CC[C@H]1CCN(C(=[NH2+])NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000864469255 728519393 /nfs/dbraw/zinc/51/93/93/728519393.db2.gz NUSQVCUZIDQYIT-RWMBFGLXSA-N 2 0 252.406 1.583 10 0 CDAERP OC1(CC[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CCOCC1 ZINC000925670533 728524436 /nfs/dbraw/zinc/52/44/36/728524436.db2.gz LWEFDHKIDWJTTL-JKSUJKDBSA-N 2 0 296.455 1.676 10 0 CDAERP C[NH2+]C1(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CCC1 ZINC000863922508 728543674 /nfs/dbraw/zinc/54/36/74/728543674.db2.gz UMSQYFGYZVRJHP-HNNXBMFYSA-N 2 0 285.407 1.457 10 0 CDAERP C[C@]1([C@H]2CCC[N@H+](CCC[NH2+]C3CC3)C2)COC(=O)N1 ZINC000923433066 728549568 /nfs/dbraw/zinc/54/95/68/728549568.db2.gz VWAUDHLBULDSJF-SWLSCSKDSA-N 2 0 281.400 1.339 10 0 CDAERP CC[C@@H](C)NC(=O)[C@@H](C)[N@H+](C)CCCCCC[NH3+] ZINC000710779822 728552451 /nfs/dbraw/zinc/55/24/51/728552451.db2.gz IRWWQVBKSXGLSZ-CHWSQXEVSA-N 2 0 257.422 1.741 10 0 CDAERP Cc1noc(C)c1C[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000852744534 728555247 /nfs/dbraw/zinc/55/52/47/728555247.db2.gz CVTWOPSLZPPMTB-LBPRGKRZSA-N 2 0 265.357 1.244 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)C2CC([NH3+])C2)CC1 ZINC000715239152 728557544 /nfs/dbraw/zinc/55/75/44/728557544.db2.gz PAAUQYWKOADUBO-UHFFFAOYSA-N 2 0 253.390 1.057 10 0 CDAERP CC[NH+](CC)CCCN1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872150968 728561856 /nfs/dbraw/zinc/56/18/56/728561856.db2.gz HTSSLDFEYXQEFN-VXGBXAGGSA-N 2 0 281.366 1.787 10 0 CDAERP C[C@H]1CN(C(=O)CC[NH2+]C(C)(C)C)C[C@@H]1[NH+](C)C ZINC000123785245 728585046 /nfs/dbraw/zinc/58/50/46/728585046.db2.gz OTNWNNXOKHJVJQ-RYUDHWBXSA-N 2 0 255.406 1.173 10 0 CDAERP Cc1noc(CCC[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)n1 ZINC000925591697 728982879 /nfs/dbraw/zinc/98/28/79/728982879.db2.gz CQFNJVQCJWJBIM-QWRGUYRKSA-N 2 0 250.346 1.170 10 0 CDAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)C=C2CC[NH2+]CC2)C1 ZINC000852870630 728985831 /nfs/dbraw/zinc/98/58/31/728985831.db2.gz WKBZPQORMSVHOX-AWEZNQCLSA-N 2 0 265.401 1.096 10 0 CDAERP O[C@@H](C[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2)C[NH+]1CCCC1 ZINC000924758412 728992837 /nfs/dbraw/zinc/99/28/37/728992837.db2.gz VLUKUPFXZANYQO-LJISPDSOSA-N 2 0 250.386 1.387 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@H](O)c2cc(F)ccc2F)C1 ZINC000848676784 729006836 /nfs/dbraw/zinc/00/68/36/729006836.db2.gz RTWWKAMLNVEJFM-NVBFEUDRSA-N 2 0 284.350 1.928 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000094440928 729010517 /nfs/dbraw/zinc/01/05/17/729010517.db2.gz DSGUVRBKOJKEDV-APIJFGDWSA-N 2 0 251.418 1.672 10 0 CDAERP C[C@@H](C1CC1)[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923305225 729032936 /nfs/dbraw/zinc/03/29/36/729032936.db2.gz LDWCSUKRZXDEIL-SMDDNHRTSA-N 2 0 250.386 1.628 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCCN2CCCC2=O)C1 ZINC000925517658 729083143 /nfs/dbraw/zinc/08/31/43/729083143.db2.gz XRBDHWIFQDMNMM-CHWSQXEVSA-N 2 0 267.417 1.495 10 0 CDAERP Clc1cccc(OCCN2CC[NH2+]CC[NH2+]CC2)c1 ZINC000923466560 729086080 /nfs/dbraw/zinc/08/60/80/729086080.db2.gz PXNBVYKIDTXQBV-UHFFFAOYSA-N 2 0 283.803 1.214 10 0 CDAERP C([C@@H]1C[C@@H]2COC[C@@H]2O1)N1CC[NH2+]CCC12CCC2 ZINC000724591578 729088136 /nfs/dbraw/zinc/08/81/36/729088136.db2.gz QPJUVEUPHAMSSJ-RDBSUJKOSA-N 2 0 266.385 1.008 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)Nc2ccc(Cl)cn2)CC[C@H]1C[NH3+] ZINC000923498341 729107066 /nfs/dbraw/zinc/10/70/66/729107066.db2.gz OFYDSKIKEXXKNQ-MNOVXSKESA-N 2 0 296.802 1.590 10 0 CDAERP Cn1ncc2cc(C[NH2+]CCCC[N@H+](C)C3CC3)cnc21 ZINC000865595093 729117536 /nfs/dbraw/zinc/11/75/36/729117536.db2.gz ACARZNLRFXYXTN-UHFFFAOYSA-N 2 0 287.411 1.932 10 0 CDAERP CCN(C)C(=O)CC[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866707035 729136518 /nfs/dbraw/zinc/13/65/18/729136518.db2.gz LHIRAXHAHGCQRY-HNNXBMFYSA-N 2 0 269.433 1.552 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)C=C1CC[NH2+]CC1)c1cccs1 ZINC000852854360 729139494 /nfs/dbraw/zinc/13/94/94/729139494.db2.gz GEMBFKKYTIMJRJ-ZDUSSCGKSA-N 2 0 293.436 1.777 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000870994850 729158831 /nfs/dbraw/zinc/15/88/31/729158831.db2.gz WJPJODKUFPHNMU-WFASDCNBSA-N 2 0 267.417 1.352 10 0 CDAERP C[N@H+](CCCCCC[NH3+])CCC(=O)Nc1cccnc1 ZINC000872155731 729189542 /nfs/dbraw/zinc/18/95/42/729189542.db2.gz VAUXPCQOMNAYIB-UHFFFAOYSA-N 2 0 278.400 1.861 10 0 CDAERP O[C@@H](C[NH2+]CC[C@@H]1CCCS1)C[NH+]1CCCC1 ZINC000715869280 729200545 /nfs/dbraw/zinc/20/05/45/729200545.db2.gz WQQWOASSISDNKN-STQMWFEESA-N 2 0 258.431 1.318 10 0 CDAERP CCN(C)c1ccccc1C[NH2+][C@@H](CCC[NH3+])COC ZINC000817902037 729278747 /nfs/dbraw/zinc/27/87/47/729278747.db2.gz HFDLGFHAFLSIOW-HNNXBMFYSA-N 2 0 279.428 1.986 10 0 CDAERP C[C@H](C[NH2+][C@H]1CCCc2cn[nH]c21)CN1CC[NH+](C)CC1 ZINC000857853125 729296175 /nfs/dbraw/zinc/29/61/75/729296175.db2.gz LOOYUOKVVWXVGI-HIFRSBDPSA-N 2 0 291.443 1.260 10 0 CDAERP C[C@H]1CC[C@H](NC(=O)NCc2ccc(CC[NH3+])cc2)C[NH2+]1 ZINC000861639926 729312913 /nfs/dbraw/zinc/31/29/13/729312913.db2.gz YOZKQFPCSLNSKQ-WFASDCNBSA-N 2 0 290.411 1.128 10 0 CDAERP C[C@H](CN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1)[N@H+](C)C1CC1 ZINC000925497373 729315113 /nfs/dbraw/zinc/31/51/13/729315113.db2.gz VXLOZOFGPXAWGQ-UPJWGTAASA-N 2 0 253.434 1.965 10 0 CDAERP C[C@H](CNC(=O)[C@@]1(C)CCCC[NH2+]1)[NH+]1CCCCC1 ZINC000133298006 729374984 /nfs/dbraw/zinc/37/49/84/729374984.db2.gz XQDWADCYJYAESP-UKRRQHHQSA-N 2 0 267.417 1.509 10 0 CDAERP Clc1ccc(Cl)c(CN2CC[NH2+]CC[NH2+]CC2)c1 ZINC000923460537 729378426 /nfs/dbraw/zinc/37/84/26/729378426.db2.gz FDWAHYSHJWZZAQ-UHFFFAOYSA-N 2 0 288.222 1.988 10 0 CDAERP C[NH+](C)CCOc1cccc(C[NH2+]C[C@@H](O)C2CC2)c1 ZINC000819011688 729384394 /nfs/dbraw/zinc/38/43/94/729384394.db2.gz WHQUZANIOXVITN-MRXNPFEDSA-N 2 0 278.396 1.488 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CCCCCN2CC[NH2+]CC2)CC[N@@H+]1C ZINC000925843616 729385760 /nfs/dbraw/zinc/38/57/60/729385760.db2.gz FYVXNAUKWVOVGE-HZPDHXFCSA-N 3 0 282.476 1.134 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](CO)c2ccccc2)C12CCC2 ZINC000925624564 729386895 /nfs/dbraw/zinc/38/68/95/729386895.db2.gz YCELJEDWCPECDO-KFWWJZLASA-N 2 0 260.381 1.622 10 0 CDAERP COC(=O)[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000931547125 729389107 /nfs/dbraw/zinc/38/91/07/729389107.db2.gz CAXCABWVAKZRTK-QKPAOTATSA-N 2 0 294.439 1.992 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H]1CCCN2CCSC[C@H]12)[NH+](C)C ZINC000928101981 729395993 /nfs/dbraw/zinc/39/59/93/729395993.db2.gz FWBXWNBKEGERBQ-MJBXVCDLSA-N 2 0 299.484 1.269 10 0 CDAERP CC1(C)[C@@H]([NH2+]CCN2CC=CCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925662925 729403948 /nfs/dbraw/zinc/40/39/48/729403948.db2.gz MGEDUILDKHFRRT-ILXRZTDVSA-N 2 0 263.429 1.615 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCCN2CCOCC2)C1 ZINC000925493556 729457673 /nfs/dbraw/zinc/45/76/73/729457673.db2.gz LHYISTFLYRXXLF-ZIAGYGMSSA-N 2 0 269.433 1.204 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000926787423 729472125 /nfs/dbraw/zinc/47/21/25/729472125.db2.gz XIYADVGLZAXVEJ-DEUXXTPCSA-N 2 0 262.397 1.340 10 0 CDAERP Cc1nccn1CC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925534767 729476392 /nfs/dbraw/zinc/47/63/92/729476392.db2.gz PEIODOGQZKQYNE-RDBSUJKOSA-N 2 0 262.401 1.558 10 0 CDAERP CC[C@H]1CCN(C(=[NH2+])NCC2CC[NH+](C)CC2)C1 ZINC000864455658 729495239 /nfs/dbraw/zinc/49/52/39/729495239.db2.gz AASBQAXOQATCPB-LBPRGKRZSA-N 2 0 252.406 1.584 10 0 CDAERP CC(C)CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723922116 729552210 /nfs/dbraw/zinc/55/22/10/729552210.db2.gz MUKOKKJQACMDFX-MGPQQGTHSA-N 2 0 269.433 1.454 10 0 CDAERP C[NH+](C)C1(C)CCC(NC(=O)NC[C@H]2CCC[N@@H+]2C)CC1 ZINC000868361927 729555246 /nfs/dbraw/zinc/55/52/46/729555246.db2.gz KRDGBYPFRBHTEL-NPCAHTBFSA-N 2 0 296.459 1.643 10 0 CDAERP CC(C)(C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)CS(C)(=O)=O ZINC000723882445 729565632 /nfs/dbraw/zinc/56/56/32/729565632.db2.gz JHLOKCIPIXLNMX-FRRDWIJNSA-N 2 0 288.457 1.035 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCc2ccccc2OC1 ZINC000423114073 729568576 /nfs/dbraw/zinc/56/85/76/729568576.db2.gz LGJBSOHJQYXAKG-GJZGRUSLSA-N 2 0 278.396 1.724 10 0 CDAERP C[N@H+](C[C@@H]1C[C@H]2COC[C@H]2O1)C1(C[NH3+])CCCCC1 ZINC000724588490 729579289 /nfs/dbraw/zinc/57/92/89/729579289.db2.gz CHIXFWSAZYPEDQ-MELADBBJSA-N 2 0 268.401 1.384 10 0 CDAERP COC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)[C@@H]1CCCO1 ZINC000925651805 729592109 /nfs/dbraw/zinc/59/21/09/729592109.db2.gz ABUJPOABRTZYPR-CRWXNKLISA-N 2 0 270.417 1.676 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000091544340 729592270 /nfs/dbraw/zinc/59/22/70/729592270.db2.gz ZIIIEHNCEKBBHU-LSDHHAIUSA-N 2 0 259.397 1.936 10 0 CDAERP C[C@H](C[NH2+][C@H]1CCCc2cn[nH]c21)N1CC[NH+](C)CC1 ZINC000857854309 729597644 /nfs/dbraw/zinc/59/76/44/729597644.db2.gz ZJRYVCQSKSCJJL-OCCSQVGLSA-N 2 0 277.416 1.013 10 0 CDAERP COC1(OC)CC[C@H]1NC1CC[NH+](C(C)C)CC1 ZINC000710935119 729611410 /nfs/dbraw/zinc/61/14/10/729611410.db2.gz YVQDNGMJIDCTJH-CYBMUJFWSA-N 2 0 256.390 1.600 10 0 CDAERP NC(=O)C1CC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000716775257 729617338 /nfs/dbraw/zinc/61/73/38/729617338.db2.gz OMZNCTWGWVDJOO-MYXTYHMWSA-N 2 0 265.401 1.151 10 0 CDAERP C[NH+]1CCC2(CCC[N@@H+]([C@H]3CCCNC3=O)C2)CC1 ZINC000799178610 729621653 /nfs/dbraw/zinc/62/16/53/729621653.db2.gz XLODLLAOBOIFAM-ZDUSSCGKSA-N 2 0 265.401 1.073 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](C)[C@@H]1C ZINC000928446051 729624146 /nfs/dbraw/zinc/62/41/46/729624146.db2.gz UGLKLRLTZFVVHB-FRRDWIJNSA-N 2 0 253.390 1.070 10 0 CDAERP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H](O)CC3CCCC3)C[C@]2(C)C1 ZINC000702319687 729635359 /nfs/dbraw/zinc/63/53/59/729635359.db2.gz WLCUEUACOGKRHS-PMPSAXMXSA-N 2 0 266.429 1.811 10 0 CDAERP COC(=O)c1cnc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)s1 ZINC000895188960 729672213 /nfs/dbraw/zinc/67/22/13/729672213.db2.gz UENUFYRIKGYCCH-AOOOYVTPSA-N 2 0 283.397 1.360 10 0 CDAERP CCC[NH+]1CCC([NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000866445939 729689420 /nfs/dbraw/zinc/68/94/20/729689420.db2.gz BNTZAVHTIQEVMF-RHMLRGBNSA-N 2 0 264.413 1.874 10 0 CDAERP O[C@H](C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)C1CC1 ZINC000838851969 729708829 /nfs/dbraw/zinc/70/88/29/729708829.db2.gz UVBCTMYGOAPSRW-HUUCEWRRSA-N 2 0 252.402 1.708 10 0 CDAERP O[C@@H](C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000819274129 729725601 /nfs/dbraw/zinc/72/56/01/729725601.db2.gz HKVSVKNVKBWLNU-WBVHZDCISA-N 2 0 274.408 1.869 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000722396586 729725918 /nfs/dbraw/zinc/72/59/18/729725918.db2.gz ROYRMEJHEUFLTA-HBNTYKKESA-N 2 0 284.322 1.440 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCSC(F)(F)F ZINC000231939352 729733807 /nfs/dbraw/zinc/73/38/07/729733807.db2.gz JXVQFJJRWKFFAV-MRVPVSSYSA-N 2 0 260.325 1.583 10 0 CDAERP C[NH+](C)C1(C)CC[NH+](C[C@H]2CCC[C@H](O)C2)CC1 ZINC000709790818 729733863 /nfs/dbraw/zinc/73/38/63/729733863.db2.gz QNHPQWFJANOCBN-KBPBESRZSA-N 2 0 254.418 1.954 10 0 CDAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C[C@H]([NH3+])C1CC1 ZINC000381071156 729842254 /nfs/dbraw/zinc/84/22/54/729842254.db2.gz PDTMJVZPMOFSCM-BBRMVZONSA-N 2 0 289.423 1.751 10 0 CDAERP CCC[NH+]1CCC(C[NH2+]C[C@H](O)c2ccc(F)cn2)CC1 ZINC000818989625 729843950 /nfs/dbraw/zinc/84/39/50/729843950.db2.gz AURSHYKEQSUQQP-INIZCTEOSA-N 2 0 295.402 1.966 10 0 CDAERP CN1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@@H]1CCC[C@@H](O)C1 ZINC000720366922 729844523 /nfs/dbraw/zinc/84/45/23/729844523.db2.gz MIFOUMCNUICSDN-APIJFGDWSA-N 2 0 252.402 1.706 10 0 CDAERP CCCCOCC[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923452068 729845661 /nfs/dbraw/zinc/84/56/61/729845661.db2.gz FGXULBWXZHDHJT-AWEZNQCLSA-N 2 0 270.417 1.633 10 0 CDAERP CC[C@@H]1CCN(C(=[NH2+])NC[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000864453684 729851846 /nfs/dbraw/zinc/85/18/46/729851846.db2.gz AVUNKNRSNVWNQT-HUUCEWRRSA-N 2 0 295.475 1.126 10 0 CDAERP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H](O)CCC1(O)CCC1)C2 ZINC000930600800 729852091 /nfs/dbraw/zinc/85/20/91/729852091.db2.gz BHZJFNFPCDPFIO-HOTGVXAUSA-N 2 0 296.455 1.460 10 0 CDAERP COC(=O)N1CCC([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000872254043 729852862 /nfs/dbraw/zinc/85/28/62/729852862.db2.gz PXBFYUVNHNMWOP-ZDUSSCGKSA-N 2 0 283.416 1.585 10 0 CDAERP [NH3+]C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@@H]1C(F)(F)F ZINC000872150128 729863230 /nfs/dbraw/zinc/86/32/30/729863230.db2.gz YNWGSCWYSQTSPD-MNOVXSKESA-N 3 0 265.323 1.055 10 0 CDAERP Cc1c(Cl)ccc2c1C[N@H+](CCOCC[NH3+])CC2 ZINC000866727048 729868633 /nfs/dbraw/zinc/86/86/33/729868633.db2.gz FAMBWMWBXHOEAV-UHFFFAOYSA-N 2 0 268.788 1.982 10 0 CDAERP CN(CCC[NH+](C)C)CCNC(=O)OCC(F)(F)F ZINC000849429257 729933422 /nfs/dbraw/zinc/93/34/22/729933422.db2.gz MACWZBGQJFAKDK-UHFFFAOYSA-N 2 0 285.310 1.158 10 0 CDAERP Cc1cnc([C@@H](C)[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)o1 ZINC000923451276 729942979 /nfs/dbraw/zinc/94/29/79/729942979.db2.gz KYFDOKNZYAKYFZ-CHWSQXEVSA-N 2 0 279.384 1.874 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)[C@@H]2CCC[C@@H]21 ZINC000848573541 729946136 /nfs/dbraw/zinc/94/61/36/729946136.db2.gz IGKDRSRCAUEFHM-QPSCCSFWSA-N 2 0 293.411 1.432 10 0 CDAERP CC(C)[C@@H]1C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCS1 ZINC000923314910 729969663 /nfs/dbraw/zinc/96/96/63/729969663.db2.gz NMBYXQOYHMVHOP-STQMWFEESA-N 2 0 270.442 1.438 10 0 CDAERP CN(C[C@H]1CCC[N@@H+]1C)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000926382519 729969774 /nfs/dbraw/zinc/96/97/74/729969774.db2.gz LMYISYHGECMVBT-HUUCEWRRSA-N 2 0 266.433 1.145 10 0 CDAERP COC1(OC)CC[C@@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000926569039 729969973 /nfs/dbraw/zinc/96/99/73/729969973.db2.gz WYAQZWNXEFKTDM-ZDUSSCGKSA-N 2 0 261.325 1.575 10 0 CDAERP COC[C@@](C)(CCO)[NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923318541 729971504 /nfs/dbraw/zinc/97/15/04/729971504.db2.gz MEAOHWUICMUDGZ-JALIKCBVSA-N 2 0 270.417 1.284 10 0 CDAERP CC[C@H]([NH2+]CCCN1CC[NH+](CC)CC1)[C@@H]1CCCOC1 ZINC000872024068 729975621 /nfs/dbraw/zinc/97/56/21/729975621.db2.gz YAZSVCLEMQFANF-SJORKVTESA-N 2 0 297.487 1.809 10 0 CDAERP CN(C)c1cccc(C[N@H+](C)C[C@H]2CC3(C[NH2+]C3)CO2)c1 ZINC000923372102 729978737 /nfs/dbraw/zinc/97/87/37/729978737.db2.gz DFGXFUCZIASECX-MRXNPFEDSA-N 2 0 289.423 1.563 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925554137 730008669 /nfs/dbraw/zinc/00/86/69/730008669.db2.gz YVKFJWNRFUGMLM-NZBFACKJSA-N 2 0 277.456 1.835 10 0 CDAERP CC[C@H](CN[C@@H]1C[C@@H]([NH3+])C12CCC2)[NH+]1CCCC1 ZINC000925606075 730045740 /nfs/dbraw/zinc/04/57/40/730045740.db2.gz LKDSPAAXEIFZKG-MGPQQGTHSA-N 2 0 251.418 1.720 10 0 CDAERP C[C@H]1[NH2+]CCC[C@@H]1NCC(C)(C)C(=O)N1CCCC1 ZINC000925719298 730049586 /nfs/dbraw/zinc/04/95/86/730049586.db2.gz QWDGYOBPIYOONU-OLZOCXBDSA-N 2 0 267.417 1.365 10 0 CDAERP C(CC[NH2+][C@@H]1CC[C@H]1C1CC1)CCN1CC[NH2+]CC1 ZINC000925845258 730054896 /nfs/dbraw/zinc/05/48/96/730054896.db2.gz FTFKEZFOCKWTFZ-JKSUJKDBSA-N 2 0 265.445 1.840 10 0 CDAERP CCN(CCC[NH+](CC)CC)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000925335820 730057474 /nfs/dbraw/zinc/05/74/74/730057474.db2.gz YMEKTVJHWXAOGP-HUUCEWRRSA-N 2 0 298.475 1.842 10 0 CDAERP CC(C)[N@@H+]1CCCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC1 ZINC000870881020 730077540 /nfs/dbraw/zinc/07/75/40/730077540.db2.gz YGJUDHYAKUEPDG-IPYPFGDCSA-N 2 0 265.401 1.057 10 0 CDAERP COC1CC([NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000668490453 730293491 /nfs/dbraw/zinc/29/34/91/730293491.db2.gz WGBDRDRFVDKXEA-AQFXKWCLSA-N 2 0 290.407 1.520 10 0 CDAERP CC(C)OCC[C@H](O)C[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000923422243 730305601 /nfs/dbraw/zinc/30/56/01/730305601.db2.gz JVIQXUZCIDKGIO-AWEZNQCLSA-N 2 0 270.417 1.380 10 0 CDAERP C[NH+](C)CCCNC(=S)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000849267273 730318721 /nfs/dbraw/zinc/31/87/21/730318721.db2.gz OVEAGTXBLMXEBF-GFCCVEGCSA-N 2 0 286.489 1.275 10 0 CDAERP C[C@@H](O)[C@@H](O)C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000865739034 730351618 /nfs/dbraw/zinc/35/16/18/730351618.db2.gz MPZRSMNGJOVCBK-ZBFHGGJFSA-N 2 0 294.439 1.476 10 0 CDAERP C[C@@H](C(=O)N1CCC([NH+](C)C)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000130174927 730370510 /nfs/dbraw/zinc/37/05/10/730370510.db2.gz JQTNTGVFRSAICA-CZUORRHYSA-N 2 0 289.423 1.875 10 0 CDAERP C[C@H](CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)[NH+]1CCCCC1 ZINC000713419510 730372249 /nfs/dbraw/zinc/37/22/49/730372249.db2.gz BWOVZCPVEBQDBG-CXTNEJHOSA-N 2 0 265.401 1.104 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000713049396 730382791 /nfs/dbraw/zinc/38/27/91/730382791.db2.gz HASCNXYTHBRNRI-IHRRRGAJSA-N 2 0 281.444 1.739 10 0 CDAERP C[C@H]([NH2+]CC[C@H]1OCCc2ccccc21)C1C[NH2+]C1 ZINC000925880757 730408330 /nfs/dbraw/zinc/40/83/30/730408330.db2.gz OFUXLRFFAKQBTM-BLLLJJGKSA-N 2 0 260.381 1.888 10 0 CDAERP CC[C@@H]1C[N@H+](C)CCCN1C(=O)[C@@H](C)CC[NH+](C)C ZINC001618488643 1165634076 /nfs/dbraw/zinc/63/40/76/1165634076.db2.gz LICAFNCMZMGMRZ-UONOGXRCSA-N 2 0 269.433 1.517 10 0 CDAERP CC[N@@H+]1CCN(C(=O)[C@@H](C)CC[NH+](C)C)[C@@H](C)C1 ZINC001449341110 967438288 /nfs/dbraw/zinc/43/82/88/967438288.db2.gz YGDKDUJIUCQTAN-STQMWFEESA-N 2 0 255.406 1.127 10 0 CDAERP CC(C)[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001571357495 1167591146 /nfs/dbraw/zinc/59/11/46/1167591146.db2.gz MGUIVJKYCVRCER-UONOGXRCSA-N 2 0 267.417 1.316 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001565587148 1168156197 /nfs/dbraw/zinc/15/61/97/1168156197.db2.gz RUYIWKFKRJOKCJ-RDBSUJKOSA-N 2 0 269.433 1.563 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2C[C@@H]([NH2+]CCCF)C2)C1 ZINC001565851445 1168184674 /nfs/dbraw/zinc/18/46/74/1168184674.db2.gz AZDAVGGUPUWBTL-MELADBBJSA-N 2 0 285.407 1.172 10 0 CDAERP COCC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001565938493 1168203519 /nfs/dbraw/zinc/20/35/19/1168203519.db2.gz JKYMADSCDWDTSX-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP CC[NH2+]CCCCCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001566004244 1168210780 /nfs/dbraw/zinc/21/07/80/1168210780.db2.gz CAGUYRFYRHVJLO-UHFFFAOYSA-N 2 0 283.460 1.957 10 0 CDAERP COCC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC1CCCCCC1 ZINC000092278026 894072351 /nfs/dbraw/zinc/07/23/51/894072351.db2.gz RPRUHBXFSQGPDJ-OAHLLOKOSA-N 2 0 296.459 1.724 10 0 CDAERP CCOCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001266467625 894994854 /nfs/dbraw/zinc/99/48/54/894994854.db2.gz AEGOOBIIIKDBCL-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@@H]([NH2+]CCCF)C1 ZINC001266690668 895838304 /nfs/dbraw/zinc/83/83/04/895838304.db2.gz OSZGEPHRTCDJHG-MJBXVCDLSA-N 2 0 285.407 1.457 10 0 CDAERP CC(C)[NH2+][C@H]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001266692802 895843362 /nfs/dbraw/zinc/84/33/62/895843362.db2.gz DFNFWVUNJJOEDB-HZSPNIEDSA-N 2 0 267.417 1.506 10 0 CDAERP Cc1ccc(C[NH2+]CCN(C)C(=O)CC[NH+](C)C)cc1 ZINC001266827030 896137826 /nfs/dbraw/zinc/13/78/26/896137826.db2.gz GBCXBRWBWVEQDP-UHFFFAOYSA-N 2 0 277.412 1.495 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)N2[C@H](C)CCC[C@H]2C)C[C@H]1CC[NH3+] ZINC000723886076 896252266 /nfs/dbraw/zinc/25/22/66/896252266.db2.gz GLNVOFQYHQSXSG-KBUPBQIOSA-N 2 0 281.444 1.693 10 0 CDAERP C[NH+](C)CCC(=O)NCC[N@H+](C)CC1CCCC1 ZINC001480908124 896482966 /nfs/dbraw/zinc/48/29/66/896482966.db2.gz PCXKYRRZTVIYDW-UHFFFAOYSA-N 2 0 255.406 1.176 10 0 CDAERP CC[C@@H](C(=O)NCC[N@H+](C)CC1=CCCCC1)[NH+](C)C ZINC001480914668 896610706 /nfs/dbraw/zinc/61/07/06/896610706.db2.gz WUIRWVNGQPWSOI-HNNXBMFYSA-N 2 0 281.444 1.875 10 0 CDAERP CCOCC[N@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001267110511 896817947 /nfs/dbraw/zinc/81/79/47/896817947.db2.gz DXIBNSLDXGBKCX-OAHLLOKOSA-N 2 0 299.459 1.288 10 0 CDAERP CCOCC[N@H+](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001267220076 897193410 /nfs/dbraw/zinc/19/34/10/897193410.db2.gz HIKMYYHVQQEHAW-HNNXBMFYSA-N 2 0 299.459 1.335 10 0 CDAERP CC(C)CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001481069328 898724999 /nfs/dbraw/zinc/72/49/99/898724999.db2.gz HQQRHQBDKIGXQT-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+](CCCF)C2)C1 ZINC001481111924 898879478 /nfs/dbraw/zinc/87/94/78/898879478.db2.gz LFYGETFLSLHNKP-KGLIPLIRSA-N 2 0 285.407 1.126 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001481123170 898934659 /nfs/dbraw/zinc/93/46/59/898934659.db2.gz OQIZYUMXXQEGQY-HOTGVXAUSA-N 2 0 295.471 1.812 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2C[NH+](CCCCCF)C2)C1 ZINC001267696628 899309877 /nfs/dbraw/zinc/30/98/77/899309877.db2.gz WVCVDFKJKYOSDD-AWEZNQCLSA-N 2 0 299.434 1.516 10 0 CDAERP CC(C)CC[NH+]1CC(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001267700405 899317380 /nfs/dbraw/zinc/31/73/80/899317380.db2.gz CCOXNYMIMRRPLG-UHFFFAOYSA-N 2 0 269.433 1.421 10 0 CDAERP COCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001267723040 899383695 /nfs/dbraw/zinc/38/36/95/899383695.db2.gz OYOINVWLQWDBSK-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CCC[NH2+]CC1(NC(=O)CCC[NH+](C)C)CCCC1 ZINC001267841349 899853799 /nfs/dbraw/zinc/85/37/99/899853799.db2.gz AZKPCTYDYUACOO-UHFFFAOYSA-N 2 0 269.433 1.757 10 0 CDAERP C[N@H+](CC(=O)N1CCC[C@@H]1C[NH2+]CCCF)C1CCC1 ZINC001267957717 900070982 /nfs/dbraw/zinc/07/09/82/900070982.db2.gz KBZMXIZFWCJKJV-CQSZACIVSA-N 2 0 285.407 1.411 10 0 CDAERP CCC[NH2+]C[C@@H](CC(C)C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001268114982 901327209 /nfs/dbraw/zinc/32/72/09/901327209.db2.gz LCAPGMGQNCOYKH-HUUCEWRRSA-N 2 0 283.460 1.859 10 0 CDAERP COCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001268158583 901443255 /nfs/dbraw/zinc/44/32/55/901443255.db2.gz GPKHFSGLRGQQLO-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CCCC[NH2+][C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001268224723 901601432 /nfs/dbraw/zinc/60/14/32/901601432.db2.gz WOFPWUVOECIBDN-GJZGRUSLSA-N 2 0 283.460 1.859 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](C[C@H]2CCCCO2)C1)[NH+](C)C ZINC001481690105 901800634 /nfs/dbraw/zinc/80/06/34/901800634.db2.gz IOIABERXRQSDRF-RRFJBIMHSA-N 2 0 297.443 1.086 10 0 CDAERP CCOCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001481740925 901986452 /nfs/dbraw/zinc/98/64/52/901986452.db2.gz VGMQEHCNHJDZTG-LSDHHAIUSA-N 2 0 299.459 1.142 10 0 CDAERP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1csc(C)c1 ZINC001481847750 902214342 /nfs/dbraw/zinc/21/43/42/902214342.db2.gz HEXONLYSBJOOFR-AWEZNQCLSA-N 2 0 297.468 1.993 10 0 CDAERP C[C@H](F)CC[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001268520940 902498944 /nfs/dbraw/zinc/49/89/44/902498944.db2.gz DXGKIMZLQJPIQF-HORCIZIBSA-N 2 0 271.380 1.091 10 0 CDAERP CCN1CC[C@@H]1C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001361909971 902922936 /nfs/dbraw/zinc/92/29/36/902922936.db2.gz WHBDGTJDYGNOPQ-ZIAGYGMSSA-N 2 0 281.444 1.707 10 0 CDAERP CCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001268701612 902989114 /nfs/dbraw/zinc/98/91/14/902989114.db2.gz YSVATGHYUMYNCA-KBPBESRZSA-N 2 0 269.433 1.613 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@H]2CCCC[C@@H]2C[NH2+]CCF)CCC1 ZINC001268763082 903098935 /nfs/dbraw/zinc/09/89/35/903098935.db2.gz CYRYEFZQERKJAB-KGLIPLIRSA-N 2 0 299.434 1.705 10 0 CDAERP CC[NH2+]CCCN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001268847133 903177834 /nfs/dbraw/zinc/17/78/34/903177834.db2.gz DDEACFRUJCYPCN-OAHLLOKOSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)=CCN1CC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001269327703 903697768 /nfs/dbraw/zinc/69/77/68/903697768.db2.gz YDAAOOCZRRIBQM-INIZCTEOSA-N 2 0 293.455 1.875 10 0 CDAERP CC(C)=CC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001269535650 903904268 /nfs/dbraw/zinc/90/42/68/903904268.db2.gz VCLIYNXHGXWQHU-ZDUSSCGKSA-N 2 0 265.401 1.143 10 0 CDAERP C[NH+](C)C1(C(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)CCCC1 ZINC001362710730 903987332 /nfs/dbraw/zinc/98/73/32/903987332.db2.gz CYCDPIQEWNDSPO-HZPDHXFCSA-N 2 0 293.455 1.661 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N1CCC2(CCC[N@@H+]2C)CC1 ZINC001362733675 904010182 /nfs/dbraw/zinc/01/01/82/904010182.db2.gz YNTHWBNDDPFEOC-AWEZNQCLSA-N 2 0 281.444 1.661 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCOCC)C[C@H]1C ZINC001269980576 904248273 /nfs/dbraw/zinc/24/82/73/904248273.db2.gz HBUFEWMCVBXABH-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CCC(C)C)[NH+](C)C ZINC001270164911 904409746 /nfs/dbraw/zinc/40/97/46/904409746.db2.gz GLYAOGZCCQGMGI-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH2+]CC1=CCCCC1 ZINC001270372084 904572165 /nfs/dbraw/zinc/57/21/65/904572165.db2.gz NTECCIRYJLBTBV-ZBFHGGJFSA-N 2 0 293.455 1.923 10 0 CDAERP C[C@H](C[NH2+]C/C=C/Cl)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482284449 904581758 /nfs/dbraw/zinc/58/17/58/904581758.db2.gz YEZOKPZMMHUSLE-AIIKUZRDSA-N 2 0 287.835 1.516 10 0 CDAERP CC/C=C/CC[NH+]1CC(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001567846537 1169015401 /nfs/dbraw/zinc/01/54/01/1169015401.db2.gz XOCWNHIBMUOSJV-MBVDDHJVSA-N 2 0 293.455 1.733 10 0 CDAERP Cc1ccnc(N)c1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000895034753 905162536 /nfs/dbraw/zinc/16/25/36/905162536.db2.gz VZWNKGITJWQGFL-UHFFFAOYSA-N 2 0 262.401 1.935 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)C(C)C ZINC001482370116 905220906 /nfs/dbraw/zinc/22/09/06/905220906.db2.gz RURWJGDNMBPMEJ-UONOGXRCSA-N 2 0 271.449 1.809 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCCF)[C@@H](C)C1 ZINC001482433944 905395201 /nfs/dbraw/zinc/39/52/01/905395201.db2.gz MJHNTRCQXDPUQL-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1[NH2+]CCCF ZINC001271447575 906410816 /nfs/dbraw/zinc/41/08/16/906410816.db2.gz LKAMJUZILFVTDL-KGLIPLIRSA-N 2 0 297.418 1.268 10 0 CDAERP CC(C)CCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001482899929 908465372 /nfs/dbraw/zinc/46/53/72/908465372.db2.gz YOVOTBQXIANIIY-GJZGRUSLSA-N 2 0 283.460 1.859 10 0 CDAERP CCCC[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C ZINC001482942022 908512739 /nfs/dbraw/zinc/51/27/39/908512739.db2.gz GAGDKWQGFLDMJC-CYBMUJFWSA-N 2 0 255.406 1.319 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC/C=C/C[NH2+]CC2CC2)C1 ZINC001483059739 909196500 /nfs/dbraw/zinc/19/65/00/909196500.db2.gz XIKJSPWLYHMAPL-IBUXWKBASA-N 2 0 265.401 1.000 10 0 CDAERP CC(C)(C)[NH2+]CCC(=O)N1CC([NH+]2CCCC2)C1 ZINC000697798980 909254679 /nfs/dbraw/zinc/25/46/79/909254679.db2.gz QDWWLAJZQKWAMM-UHFFFAOYSA-N 2 0 253.390 1.071 10 0 CDAERP CC(C)C[NH2+]C/C=C\CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001483082270 909301663 /nfs/dbraw/zinc/30/16/63/909301663.db2.gz NMXCZVUBOXYVAV-ZRUQZJFASA-N 2 0 267.417 1.246 10 0 CDAERP Cc1nocc1C[NH2+][C@H](C)[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001409365785 910336740 /nfs/dbraw/zinc/33/67/40/910336740.db2.gz ADOFOJANXVEWIC-VXGBXAGGSA-N 2 0 296.415 1.308 10 0 CDAERP CCCCC[N@H+](C)C[C@H](C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001483409305 911075094 /nfs/dbraw/zinc/07/50/94/911075094.db2.gz SDEVRDKOHBWFIN-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001483440988 911120070 /nfs/dbraw/zinc/12/00/70/911120070.db2.gz HLFSTBULHCJWMI-LSDHHAIUSA-N 2 0 283.460 1.859 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC)C1CC1 ZINC001483564315 911258019 /nfs/dbraw/zinc/25/80/19/911258019.db2.gz MHSIUDMEFURBED-KGLIPLIRSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@H](CC[NH2+]CC1CC(C)(C)C1)NC(=O)CC[NH+](C)C ZINC001497265375 911316554 /nfs/dbraw/zinc/31/65/54/911316554.db2.gz VDOUOQSDUHNJNR-CYBMUJFWSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@@H]1[C@H](NC(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC[NH+]1C ZINC000921383796 914914450 /nfs/dbraw/zinc/91/44/50/914914450.db2.gz CEDBGYVVBWBPEN-KZVDOYCCSA-N 2 0 280.416 1.003 10 0 CDAERP CCCCC[NH2+]C[C@@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001484111786 915438549 /nfs/dbraw/zinc/43/85/49/915438549.db2.gz KCOVYOSDSHFZIU-MRXNPFEDSA-N 2 0 283.460 1.957 10 0 CDAERP CC(=O)N1CCC([NH2+]CCCC[N@@H+](C)C2CC2)CC1 ZINC001178871846 915667064 /nfs/dbraw/zinc/66/70/64/915667064.db2.gz BJBCBRWWIJEIOH-UHFFFAOYSA-N 2 0 267.417 1.461 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]CCC[C@@H](C)O ZINC001493807308 915818707 /nfs/dbraw/zinc/81/87/07/915818707.db2.gz ZMGAGDMFTCQUBB-CABCVRRESA-N 2 0 299.459 1.070 10 0 CDAERP CCCC[NH2+]CC[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001484550274 915877589 /nfs/dbraw/zinc/87/75/89/915877589.db2.gz SCYDAWVITFVVJZ-OAHLLOKOSA-N 2 0 281.444 1.711 10 0 CDAERP C[C@H](F)CC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001484722881 916081664 /nfs/dbraw/zinc/08/16/64/916081664.db2.gz KDHOPTDGORJABT-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CN(CCC[N@H+](C)CCF)C(=O)C12CCC[NH+](CCC1)C2 ZINC001484747300 916134011 /nfs/dbraw/zinc/13/40/11/916134011.db2.gz PPGGSIOREQFHIA-UHFFFAOYSA-N 2 0 299.434 1.612 10 0 CDAERP CCCCC[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001484898287 916251986 /nfs/dbraw/zinc/25/19/86/916251986.db2.gz VQUMQUAJCZSZQR-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001485069280 916455133 /nfs/dbraw/zinc/45/51/33/916455133.db2.gz LMZLVBYDJRXUSK-CVEARBPZSA-N 2 0 295.471 1.907 10 0 CDAERP CC(C)=CC[NH2+]CC1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001485109875 916535175 /nfs/dbraw/zinc/53/51/75/916535175.db2.gz LQCZYUCXSXXUFJ-UHFFFAOYSA-N 2 0 279.428 1.533 10 0 CDAERP Cc1ncoc1C[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001485230404 916687191 /nfs/dbraw/zinc/68/71/91/916687191.db2.gz TWGFCJMFWGOJDY-RYUDHWBXSA-N 2 0 296.415 1.306 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@H]1C[C@H](C[NH2+]CC2CC2)C1 ZINC001485694632 917196111 /nfs/dbraw/zinc/19/61/11/917196111.db2.gz OVZLSBRWPLHALB-HDJSIYSDSA-N 2 0 267.417 1.223 10 0 CDAERP CCN1CC[C@@H]1C(=O)N[C@H](C)CC[NH+](CC)CC ZINC001181654450 917246399 /nfs/dbraw/zinc/24/63/99/917246399.db2.gz QYXOMYXFHVQTJP-CHWSQXEVSA-N 2 0 255.406 1.317 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)CCC[NH2+]C(C)C)[NH+](C)C ZINC001485745429 917254009 /nfs/dbraw/zinc/25/40/09/917254009.db2.gz UUQUNGWIGJTFIO-QWHCGFSZSA-N 2 0 257.422 1.610 10 0 CDAERP CC[NH2+][C@H](C)CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001485929692 920599135 /nfs/dbraw/zinc/59/91/35/920599135.db2.gz CGICXIOJLBGNBE-KGLIPLIRSA-N 2 0 269.433 1.707 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001486137383 920741625 /nfs/dbraw/zinc/74/16/25/920741625.db2.gz VEPPKWVYHJDYGP-KGLIPLIRSA-N 2 0 269.433 1.706 10 0 CDAERP CC(C)=CC[NH2+]CCOCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001486493068 921067893 /nfs/dbraw/zinc/06/78/93/921067893.db2.gz LUXVFAPPBDCTRT-HNNXBMFYSA-N 2 0 297.443 1.111 10 0 CDAERP CCC[N@H+]1CC=C(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001486519104 921095020 /nfs/dbraw/zinc/09/50/20/921095020.db2.gz HPKKVVYJAGCOEA-HNNXBMFYSA-N 2 0 281.444 1.731 10 0 CDAERP CCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001568319253 1169243653 /nfs/dbraw/zinc/24/36/53/1169243653.db2.gz LPTOFNFYTCGUFW-CHWSQXEVSA-N 2 0 255.406 1.175 10 0 CDAERP CN(C)C1(C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)CCC1 ZINC000710865330 923252550 /nfs/dbraw/zinc/25/25/50/923252550.db2.gz NDNBKAAVLXANIB-UHFFFAOYSA-N 2 0 297.443 1.927 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001490934394 936833936 /nfs/dbraw/zinc/83/39/36/936833936.db2.gz NGQBZLVWXFJEHH-SHTZXODSSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CCC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001491128689 936861060 /nfs/dbraw/zinc/86/10/60/936861060.db2.gz DAKPSZPXYMKDBC-CVEARBPZSA-N 2 0 295.471 1.957 10 0 CDAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1ccno1)CC2 ZINC000923450001 923841894 /nfs/dbraw/zinc/84/18/94/923841894.db2.gz SGYJQQPMMNKFNQ-GFCCVEGCSA-N 2 0 251.330 1.004 10 0 CDAERP C[C@@H](c1cnccn1)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923450198 923842893 /nfs/dbraw/zinc/84/28/93/923842893.db2.gz FHNOODSKIABRPL-QWHCGFSZSA-N 2 0 276.384 1.367 10 0 CDAERP CCCC[NH2+]C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001491184417 936870440 /nfs/dbraw/zinc/87/04/40/936870440.db2.gz KEGZFRAXIGPCFP-OAHLLOKOSA-N 2 0 281.444 1.711 10 0 CDAERP C[C@H](CC[NH2+]Cc1cscn1)NC(=O)C[NH+]1CCCC1 ZINC001273182537 923885246 /nfs/dbraw/zinc/88/52/46/923885246.db2.gz AKIQWFCMXVOJQA-GFCCVEGCSA-N 2 0 296.440 1.223 10 0 CDAERP C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]C/C=C\Cl ZINC001491486746 936923283 /nfs/dbraw/zinc/92/32/83/936923283.db2.gz OMGUUJGFOCFXFP-BJLPKZDCSA-N 2 0 287.835 1.708 10 0 CDAERP Cc1cc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CCC[N@@H+]2C)on1 ZINC001410352057 925558832 /nfs/dbraw/zinc/55/88/32/925558832.db2.gz RTHWRGWBNRWNSW-JSGCOSHPSA-N 2 0 294.399 1.014 10 0 CDAERP CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]C/C=C/Cl)[NH+](C)C ZINC001410395717 925596452 /nfs/dbraw/zinc/59/64/52/925596452.db2.gz PCIGMCVECAYQLE-IDDPWSFUSA-N 2 0 275.824 1.516 10 0 CDAERP C[C@@H](NC(=O)NCCCCCCC[NH+](C)C)[C@H](C)[NH3+] ZINC000841742655 937013126 /nfs/dbraw/zinc/01/31/26/937013126.db2.gz YZOXDXKNAMRJNF-QWHCGFSZSA-N 2 0 272.437 1.533 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH2+]CC(C)C ZINC001276404697 937019915 /nfs/dbraw/zinc/01/99/15/937019915.db2.gz KJDKULDKFHYDGN-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001488770126 926686778 /nfs/dbraw/zinc/68/67/78/926686778.db2.gz DOVCZOORZYYRIH-YUELXQCFSA-N 2 0 299.434 1.561 10 0 CDAERP COCC[N@@H+]1CC[C@@]2(NC(=O)CCC[NH+](C)C)CCC[C@H]12 ZINC001410887144 926730297 /nfs/dbraw/zinc/73/02/97/926730297.db2.gz CQOJFVLNQOEHIG-HOCLYGCPSA-N 2 0 297.443 1.088 10 0 CDAERP CC[N@@H+]1CC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001490549051 927210383 /nfs/dbraw/zinc/21/03/83/927210383.db2.gz VYIMWCWRQNRSHY-CHWSQXEVSA-N 2 0 253.390 1.071 10 0 CDAERP CC(C)C[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001490661437 927289236 /nfs/dbraw/zinc/28/92/36/927289236.db2.gz MWGKIUOFFICPEN-CVEARBPZSA-N 2 0 295.471 2.000 10 0 CDAERP Cc1cc([C@@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)n(C)n1 ZINC000850500792 927438813 /nfs/dbraw/zinc/43/88/13/927438813.db2.gz KAXPPFWVYLGGEB-LSDHHAIUSA-N 2 0 295.475 1.651 10 0 CDAERP C[C@H]([NH2+]C1CC1)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000852860824 927898117 /nfs/dbraw/zinc/89/81/17/927898117.db2.gz WDHXZJOIOIUROD-NHYWBVRUSA-N 2 0 289.379 1.427 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C[C@H]2CCCC[NH2+]C2)C1 ZINC000696989057 937275685 /nfs/dbraw/zinc/27/56/85/937275685.db2.gz JKJNAQSYNLPHAJ-LSDHHAIUSA-N 2 0 253.434 1.792 10 0 CDAERP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)C1CC(F)(F)C1 ZINC000862277013 929396576 /nfs/dbraw/zinc/39/65/76/929396576.db2.gz LQHLGDCBKDZWPR-NWDGAFQWSA-N 2 0 275.387 1.646 10 0 CDAERP COc1ccccc1[C@H](O)C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000817892055 930620662 /nfs/dbraw/zinc/62/06/62/930620662.db2.gz JMOBHFKIARFDDF-AEGPPILISA-N 2 0 278.396 1.836 10 0 CDAERP CC[C@H](F)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001274025876 931126379 /nfs/dbraw/zinc/12/63/79/931126379.db2.gz OAHBXZZBBDRQBD-WHJWBVKISA-N 2 0 299.434 1.869 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CCOC)C1 ZINC001319515682 931216510 /nfs/dbraw/zinc/21/65/10/931216510.db2.gz RRFHGCJXYWORBR-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CCOC)C1 ZINC001319827718 931488628 /nfs/dbraw/zinc/48/86/28/931488628.db2.gz SKQYVBIZFISOSH-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP CCN1CC[C@@H]1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001144154617 931673513 /nfs/dbraw/zinc/67/35/13/931673513.db2.gz FLZGOFGUYUIGKS-MELADBBJSA-N 2 0 265.401 1.214 10 0 CDAERP CC(C)=CC[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001275208861 931700135 /nfs/dbraw/zinc/70/01/35/931700135.db2.gz DJGZNLSVEFHYQW-YMAMQOFZSA-N 2 0 279.428 1.531 10 0 CDAERP COCCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001279193039 931816310 /nfs/dbraw/zinc/81/63/10/931816310.db2.gz IGIFNWIEFIPIJG-CABCVRRESA-N 2 0 299.459 1.047 10 0 CDAERP CCOCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1CC ZINC001275729030 931983103 /nfs/dbraw/zinc/98/31/03/931983103.db2.gz JHPFNTRPWNIAHZ-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1CC ZINC001275730637 931984015 /nfs/dbraw/zinc/98/40/15/931984015.db2.gz VTWMUGIPMGDDTC-QWHCGFSZSA-N 2 0 255.406 1.317 10 0 CDAERP C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001412593832 932537935 /nfs/dbraw/zinc/53/79/35/932537935.db2.gz KJZPJFVWEOJMCQ-KFWWJZLASA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925508262 932895720 /nfs/dbraw/zinc/89/57/20/932895720.db2.gz PSDWALHZZNQRAZ-QPSCCSFWSA-N 2 0 265.445 1.966 10 0 CDAERP CCn1cc(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)cn1 ZINC000925568973 932906838 /nfs/dbraw/zinc/90/68/38/932906838.db2.gz NJOCHSMNERIVNM-STQMWFEESA-N 2 0 250.390 1.899 10 0 CDAERP C[C@@](O)(C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)C(F)(F)F ZINC000925628735 932917610 /nfs/dbraw/zinc/91/76/10/932917610.db2.gz HYHOXZYLNQVNCS-WCABBAIRSA-N 2 0 268.323 1.795 10 0 CDAERP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925819686 932941825 /nfs/dbraw/zinc/94/18/25/932941825.db2.gz YFSCRNZYHKKZDK-CABCVRRESA-N 3 0 290.455 1.307 10 0 CDAERP C[C@H](CC1CC1)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925852237 932946006 /nfs/dbraw/zinc/94/60/06/932946006.db2.gz HKJZLOIYUPUQAI-YPMHNXCESA-N 2 0 266.385 1.450 10 0 CDAERP c1cn2c(n1)C[C@H]([NH2+][C@@H](C1CCC1)[C@H]1CCOC1)CC2 ZINC000926229692 932976677 /nfs/dbraw/zinc/97/66/77/932976677.db2.gz PRRQDUHNQUXHOM-LZWOXQAQSA-N 2 0 275.396 1.993 10 0 CDAERP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@@H]3C[C@@H]4COC[C@H]4O3)C2)C1 ZINC000930576990 933405532 /nfs/dbraw/zinc/40/55/32/933405532.db2.gz OPNSEYOXYWLQJD-QXSJWSMHSA-N 2 0 280.412 1.208 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)CC[NH2+]CC=C(C)C)[NH+](C)C ZINC001568646737 1169413765 /nfs/dbraw/zinc/41/37/65/1169413765.db2.gz SFSHDJSZHYIMPL-ZIAGYGMSSA-N 2 0 269.433 1.777 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)CCCCCF ZINC001329613034 940635114 /nfs/dbraw/zinc/63/51/14/940635114.db2.gz LCNZLHKJXBUNDH-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]CC2(CO)CCCCC2)C12CCC2 ZINC000405207661 940974313 /nfs/dbraw/zinc/97/43/13/940974313.db2.gz BBMJFMKTSRNOHR-OLZOCXBDSA-N 2 0 252.402 1.789 10 0 CDAERP CC[C@H](C)NC(=O)CC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405330403 940981853 /nfs/dbraw/zinc/98/18/53/940981853.db2.gz ZICPIEAKWBBYNH-SRVKXCTJSA-N 2 0 253.390 1.151 10 0 CDAERP CC(C)=CC[NH+]1CC([C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001330040791 941538895 /nfs/dbraw/zinc/53/88/95/941538895.db2.gz XKDHMZAVCRXDCC-CQSZACIVSA-N 2 0 293.455 1.731 10 0 CDAERP CC[N@@H+]1CC[C@@H]1C(=O)N1CCC2(CCC[NH+]2C)CC1 ZINC001546197544 970821171 /nfs/dbraw/zinc/82/11/71/970821171.db2.gz KTPPNQJTVINEBJ-CYBMUJFWSA-N 2 0 265.401 1.167 10 0 CDAERP CC(C)OCCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001277142178 942036678 /nfs/dbraw/zinc/03/66/78/942036678.db2.gz WBOYSZIIFUXRFW-CQSZACIVSA-N 2 0 297.443 1.134 10 0 CDAERP CC(C)[NH2+]CCC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001277343666 942398666 /nfs/dbraw/zinc/39/86/66/942398666.db2.gz WBTUBTXMNRBTCM-ZIAGYGMSSA-N 2 0 271.449 1.856 10 0 CDAERP CC[NH2+][C@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1C ZINC001281475916 942582049 /nfs/dbraw/zinc/58/20/49/942582049.db2.gz MXOVXNYMDYWNCA-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCCF ZINC001281852956 942625692 /nfs/dbraw/zinc/62/56/92/942625692.db2.gz HNJNPPLWGHGDGL-UONOGXRCSA-N 2 0 285.407 1.411 10 0 CDAERP CC[C@H](C(=O)NC1CC(C[NH2+]CC=C(C)C)C1)[NH+](C)C ZINC001282066196 942653558 /nfs/dbraw/zinc/65/35/58/942653558.db2.gz IDWNOXQECIJUQQ-YMAMQOFZSA-N 2 0 281.444 1.777 10 0 CDAERP CN(CC(C)(C)C[NH2+]CCCF)C(=O)Cn1ccnc1 ZINC001282346763 942692480 /nfs/dbraw/zinc/69/24/80/942692480.db2.gz VFLJLWSLBZKRAF-UHFFFAOYSA-N 2 0 284.379 1.317 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001362132735 970926059 /nfs/dbraw/zinc/92/60/59/970926059.db2.gz VRPXOGUUVFVQKG-XOUADPBQSA-N 2 0 293.455 1.706 10 0 CDAERP C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1C[NH+](CCCCCF)C1 ZINC001282693212 942740649 /nfs/dbraw/zinc/74/06/49/942740649.db2.gz MMQUBAJKLXFQTC-HIFRSBDPSA-N 2 0 299.434 1.657 10 0 CDAERP CC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001316622446 942756488 /nfs/dbraw/zinc/75/64/88/942756488.db2.gz AJVSMCSULLRRBK-KPWCQOOUSA-N 2 0 267.417 1.364 10 0 CDAERP CC[NH2+]CCCOCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001277608047 943124363 /nfs/dbraw/zinc/12/43/63/943124363.db2.gz CLQMDLLZRNJONG-HUUCEWRRSA-N 2 0 297.443 1.136 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCCF ZINC001277852310 943821118 /nfs/dbraw/zinc/82/11/18/943821118.db2.gz WVIMHIGFXLQNRB-LSDHHAIUSA-N 2 0 299.434 1.799 10 0 CDAERP CC(C)[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001263811898 943983506 /nfs/dbraw/zinc/98/35/06/943983506.db2.gz CCNLQKQYYUMJJZ-KGLIPLIRSA-N 2 0 267.417 1.269 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001265629866 944451556 /nfs/dbraw/zinc/45/15/56/944451556.db2.gz GRBMLUOACAWLBP-AWEZNQCLSA-N 2 0 269.433 1.566 10 0 CDAERP Cc1nc[nH]c1CC(=O)N1CCC[C@H]1C[NH2+]C/C=C\Cl ZINC001277990043 944532295 /nfs/dbraw/zinc/53/22/95/944532295.db2.gz IVOGSJDPOJUOBR-FHMRSRPSSA-N 2 0 296.802 1.594 10 0 CDAERP CC[C@@H](C)C[NH2+][C@@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001278017954 944592579 /nfs/dbraw/zinc/59/25/79/944592579.db2.gz RTMXJVKUWGUOMH-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001266006769 944625526 /nfs/dbraw/zinc/62/55/26/944625526.db2.gz PDOKCTUYPPJUJI-ZIAGYGMSSA-N 2 0 269.433 1.706 10 0 CDAERP CC(C)C[NH2+]CC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001261502652 946149133 /nfs/dbraw/zinc/14/91/33/946149133.db2.gz UIWSZFCWBFOQIZ-STQMWFEESA-N 2 0 255.406 1.173 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC001362381897 971212678 /nfs/dbraw/zinc/21/26/78/971212678.db2.gz CTIIKNRTBVAQAG-GDBMZVCRSA-N 2 0 295.471 1.953 10 0 CDAERP O=C(NC[C@H]1CC[C@@H]([NH2+]CCCF)C1)C12CC[NH+](CC1)C2 ZINC001479486841 971332690 /nfs/dbraw/zinc/33/26/90/971332690.db2.gz LIVBSEPQKLFWNG-UONOGXRCSA-N 2 0 297.418 1.316 10 0 CDAERP CCN1CC[C@@H]1C(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC001362508895 971353284 /nfs/dbraw/zinc/35/32/84/971353284.db2.gz MUIIVBWOAPSQOD-LSDHHAIUSA-N 2 0 293.386 1.639 10 0 CDAERP Cc1ncc(C[N@H+](C)CCCNC(=O)[C@H]2CCC[NH+]2C)o1 ZINC001479790242 971421898 /nfs/dbraw/zinc/42/18/98/971421898.db2.gz ZMGLUYPPNZOMLU-CQSZACIVSA-N 2 0 294.399 1.015 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)CCOC ZINC001479852618 971454007 /nfs/dbraw/zinc/45/40/07/971454007.db2.gz NBPHSLCYIVAGKZ-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C(C)(C)C ZINC001279021934 948609648 /nfs/dbraw/zinc/60/96/48/948609648.db2.gz RCFJZOQQGHUMJV-GFCCVEGCSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)CCC[NH2+]C[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001569019341 1169599697 /nfs/dbraw/zinc/59/96/97/1169599697.db2.gz UXAZSYUTCFNODZ-LSDHHAIUSA-N 2 0 283.460 1.859 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC[C@@H](C)F)C1 ZINC001480168355 971611309 /nfs/dbraw/zinc/61/13/09/971611309.db2.gz GMTZDAWRCRDBPE-JHJVBQTASA-N 2 0 273.396 1.313 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCC[NH+](CCF)C1 ZINC001480272418 971655940 /nfs/dbraw/zinc/65/59/40/971655940.db2.gz SKIHOVAKNNNEBS-CYBMUJFWSA-N 2 0 273.396 1.124 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)C1 ZINC001362917909 971727170 /nfs/dbraw/zinc/72/71/70/971727170.db2.gz VILYCDOGRGEYDV-HRCADAONSA-N 2 0 293.455 1.659 10 0 CDAERP CC[C@@H](C(=O)N1CC[C@H](C[NH2+]CCF)C1)[NH+](CC)CC ZINC001480663193 971828937 /nfs/dbraw/zinc/82/89/37/971828937.db2.gz FWHZERHQAQXUBA-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP CC[N@H+](CCNC(=O)C[NH+]1CCCC1)Cc1ccsc1 ZINC001493059246 971935251 /nfs/dbraw/zinc/93/52/51/971935251.db2.gz ZVTZMHDUMACCQT-UHFFFAOYSA-N 2 0 295.452 1.782 10 0 CDAERP CCC[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001324675631 953509442 /nfs/dbraw/zinc/50/94/42/953509442.db2.gz YISFVPGCJXAJAV-CQSZACIVSA-N 2 0 253.390 1.073 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@@]12CC[N@H+](C1)CCC2)[NH+]1CCCCC1 ZINC001363685771 953650968 /nfs/dbraw/zinc/65/09/68/953650968.db2.gz IXKDYENUYWEIEX-RDJZCZTQSA-N 2 0 293.455 1.851 10 0 CDAERP CCCCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001325779029 954071618 /nfs/dbraw/zinc/07/16/18/954071618.db2.gz OQALHDATZOAXOV-HRCADAONSA-N 2 0 293.455 1.519 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+](CC=C(C)C)C1 ZINC001493251553 971995986 /nfs/dbraw/zinc/99/59/86/971995986.db2.gz DZVWYEYIRMIEHY-HNNXBMFYSA-N 2 0 281.444 1.733 10 0 CDAERP CC(C)[C@H](C(=O)N1CC[C@@H](CC[NH2+]CC2CC2)C1)[NH+](C)C ZINC001326417771 954372426 /nfs/dbraw/zinc/37/24/26/954372426.db2.gz FEGZRUICBKMPSW-HZPDHXFCSA-N 2 0 295.471 1.811 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)NCCc2cn(C)cn2)CC[N@@H+]1C ZINC001364286474 954421773 /nfs/dbraw/zinc/42/17/73/954421773.db2.gz HNXNEAZEFUJERD-TZMCWYRMSA-N 2 0 293.415 1.087 10 0 CDAERP CC[C@@H](C)C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001493356809 972027566 /nfs/dbraw/zinc/02/75/66/972027566.db2.gz MCIRMEJTMLDGIA-HIFRSBDPSA-N 2 0 281.444 1.707 10 0 CDAERP CCC1([NH2+]CCCF)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001327437471 954878060 /nfs/dbraw/zinc/87/80/60/954878060.db2.gz ORABBAVZJWKQSG-AWEZNQCLSA-N 2 0 299.434 1.801 10 0 CDAERP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](C)CN2CCOCC2)C1 ZINC001364655749 954966564 /nfs/dbraw/zinc/96/65/64/954966564.db2.gz QNNKUTOACSSBBG-HOTGVXAUSA-N 2 0 283.460 1.228 10 0 CDAERP CC(C)C[C@@H](C)C[NH2+][C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001491675397 955384138 /nfs/dbraw/zinc/38/41/38/955384138.db2.gz TVSPMYMIPCSDBG-CABCVRRESA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)[NH2+]C1CCN(C[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001421612462 955433694 /nfs/dbraw/zinc/43/36/94/955433694.db2.gz FUJZITSLJOIHJC-OAHLLOKOSA-N 2 0 283.460 1.417 10 0 CDAERP Cc1ncsc1C[NH2+]CCN(C)C(=O)CCC[NH+](C)C ZINC001493674548 972097692 /nfs/dbraw/zinc/09/76/92/972097692.db2.gz DVCUHBIEAGFVEB-UHFFFAOYSA-N 2 0 298.456 1.341 10 0 CDAERP C[C@@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC1CC1 ZINC001492069380 955604245 /nfs/dbraw/zinc/60/42/45/955604245.db2.gz MXYBGIVNLZOKTB-JSGCOSHPSA-N 2 0 267.417 1.365 10 0 CDAERP Cc1cncc(C[NH2+][C@@H](C)CCNC(=O)CC[NH+](C)C)c1 ZINC001492078840 955639609 /nfs/dbraw/zinc/63/96/09/955639609.db2.gz XKWAMSICDQSGIC-AWEZNQCLSA-N 2 0 292.427 1.326 10 0 CDAERP Cc1cncc(C[NH2+][C@H](C)CCNC(=O)CC[NH+](C)C)c1 ZINC001492078841 955641323 /nfs/dbraw/zinc/64/13/23/955641323.db2.gz XKWAMSICDQSGIC-CQSZACIVSA-N 2 0 292.427 1.326 10 0 CDAERP CN(CC(C)(C)C[NH+](C)C)C(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001365148891 955648575 /nfs/dbraw/zinc/64/85/75/955648575.db2.gz WZGUJQKEMXWPHT-ZDUSSCGKSA-N 2 0 287.423 1.467 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1CC[N@H+](CCOC)CC1(C)C)[NH+](C)C ZINC001422086516 955739396 /nfs/dbraw/zinc/73/93/96/955739396.db2.gz YDJRSQPNVPWUJI-ZIAGYGMSSA-N 2 0 299.459 1.190 10 0 CDAERP Cc1cc(C[NH2+][C@@H](C)CCNC(=O)C[N@H+](C)C(C)C)on1 ZINC001422172419 955812955 /nfs/dbraw/zinc/81/29/55/955812955.db2.gz ZDMCFAYVSKVFQN-LBPRGKRZSA-N 2 0 296.415 1.308 10 0 CDAERP C[NH+](C)CCCC(=O)NCC[N@H+](C)CC1=CCCCC1 ZINC001492392773 955858043 /nfs/dbraw/zinc/85/80/43/955858043.db2.gz IRQLKZSDBOQOSM-UHFFFAOYSA-N 2 0 281.444 1.877 10 0 CDAERP C[C@H](NC(=O)C12CCC[NH+]1CCC2)[C@H](C)[NH2+]CC1CCC1 ZINC001422333524 955949566 /nfs/dbraw/zinc/94/95/66/955949566.db2.gz HIGLVRFKVOGYNZ-KBPBESRZSA-N 2 0 293.455 1.898 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@H]([NH+](C)CC)C1 ZINC001365384566 955984284 /nfs/dbraw/zinc/98/42/84/955984284.db2.gz JMLXOGVVNVXMQO-GJZGRUSLSA-N 2 0 296.459 1.596 10 0 CDAERP COCCC[NH2+][C@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001317274501 956013995 /nfs/dbraw/zinc/01/39/95/956013995.db2.gz FTFAHKRWNLJYKI-CQSZACIVSA-N 2 0 299.459 1.238 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)C1C[NH+](CCC2CC2)C1 ZINC001330050362 956251664 /nfs/dbraw/zinc/25/16/64/956251664.db2.gz ZGIOECQBTZFWMH-GFCCVEGCSA-N 2 0 267.417 1.175 10 0 CDAERP CC[C@@H](C)C[NH+]1CC([C@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001422729161 956293753 /nfs/dbraw/zinc/29/37/53/956293753.db2.gz GJRAWGBYXKKGKO-KGLIPLIRSA-N 2 0 295.471 1.811 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001366126908 956584713 /nfs/dbraw/zinc/58/47/13/956584713.db2.gz YFADZKLOSVPDBY-IHRRRGAJSA-N 2 0 285.407 1.313 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]CC1CCOCC1 ZINC001423168277 956641624 /nfs/dbraw/zinc/64/16/24/956641624.db2.gz FMRLADOGAPFKRJ-AWEZNQCLSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001330977402 956738671 /nfs/dbraw/zinc/73/86/71/956738671.db2.gz RETVGXQMGPXZAY-CABCVRRESA-N 2 0 283.460 1.859 10 0 CDAERP C[C@H]1CC[C@@H](C[N@H+](C)CCCNC(=O)C[NH+]2CCCC2)O1 ZINC001316865637 956768073 /nfs/dbraw/zinc/76/80/73/956768073.db2.gz ODRSGEBRRBBIGN-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]C/C=C/Cl)C2)CC[N@@H+]1C ZINC001366380182 956785154 /nfs/dbraw/zinc/78/51/54/956785154.db2.gz XTXUBRUXROIGEI-OULNBBSRSA-N 2 0 299.846 1.660 10 0 CDAERP C[NH+]1CCC(C(=O)N2CCC[C@@H](C[NH2+]CCF)C2)CC1 ZINC001317158645 956987978 /nfs/dbraw/zinc/98/79/78/956987978.db2.gz WDLREUJIDNZMAL-ZDUSSCGKSA-N 2 0 285.407 1.126 10 0 CDAERP CCC[N@H+](C)CC(=O)NCC[NH+](C)Cc1ccsc1 ZINC001366584567 956994120 /nfs/dbraw/zinc/99/41/20/956994120.db2.gz SKMGKJYZTLIVKZ-UHFFFAOYSA-N 2 0 283.441 1.638 10 0 CDAERP CC[C@@H](C(=O)NC[C@@H]([NH2+]CC=C(C)C)C1CC1)[NH+](C)C ZINC001317030497 957215835 /nfs/dbraw/zinc/21/58/35/957215835.db2.gz OTDKWYCSVOSQJV-CABCVRRESA-N 2 0 281.444 1.777 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N(C)[C@@H]1CC[N@H+](CC)C1 ZINC001367043601 957360896 /nfs/dbraw/zinc/36/08/96/957360896.db2.gz HPFJOTJMLWVZCF-CHWSQXEVSA-N 2 0 273.396 1.219 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001317248085 957378354 /nfs/dbraw/zinc/37/83/54/957378354.db2.gz XZJMWKJLBDEGRC-CHWSQXEVSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCCF ZINC001317260759 957388416 /nfs/dbraw/zinc/38/84/16/957388416.db2.gz VYLULFCIUNKCOU-KBPBESRZSA-N 2 0 287.423 1.561 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cnoc1C ZINC001367091739 957401650 /nfs/dbraw/zinc/40/16/50/957401650.db2.gz NGBHXBOERPMILU-KBPBESRZSA-N 2 0 294.399 1.062 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCCF)[C@H]2C1 ZINC001332148679 957451171 /nfs/dbraw/zinc/45/11/71/957451171.db2.gz SFYSYCASKUEKBJ-SOUVJXGZSA-N 2 0 299.434 1.514 10 0 CDAERP CC(C)CC[N@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001317458412 957491277 /nfs/dbraw/zinc/49/12/77/957491277.db2.gz CQOVTOHNCISYOH-UHFFFAOYSA-N 2 0 269.433 1.422 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC)CC1(C)C)[NH+](CC)CC ZINC001425298713 957510438 /nfs/dbraw/zinc/51/04/38/957510438.db2.gz AAVIUFBJVBLQIC-ZIAGYGMSSA-N 2 0 283.460 1.953 10 0 CDAERP CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001425347439 957517794 /nfs/dbraw/zinc/51/77/94/957517794.db2.gz VPERTHLHBCHHIT-YHUYYLMFSA-N 2 0 293.455 1.565 10 0 CDAERP CC[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001317636216 957614620 /nfs/dbraw/zinc/61/46/20/957614620.db2.gz LYNUTGIIGNXJTL-ZDUSSCGKSA-N 2 0 255.406 1.317 10 0 CDAERP CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001494683457 972287639 /nfs/dbraw/zinc/28/76/39/972287639.db2.gz FUFYNVOQUIHYCC-JYJNAYRXSA-N 2 0 293.455 1.804 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1cnc(C)o1 ZINC001367398860 957991577 /nfs/dbraw/zinc/99/15/77/957991577.db2.gz JMIANBYWFWBASF-GFCCVEGCSA-N 2 0 296.415 1.261 10 0 CDAERP C[C@H](C[NH2+]CC1CC(C)C1)NC(=O)C12CC[NH+](CC1)C2 ZINC001367707926 958236480 /nfs/dbraw/zinc/23/64/80/958236480.db2.gz UWBULMMVPXOTMK-ROKHWSDSSA-N 2 0 279.428 1.223 10 0 CDAERP CC(C)[N@H+]1CC=C(CNC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001333406751 958317583 /nfs/dbraw/zinc/31/75/83/958317583.db2.gz QERDRLVOARHMDO-CQSZACIVSA-N 2 0 279.428 1.485 10 0 CDAERP CC[NH2+]C[C@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001319124602 958384412 /nfs/dbraw/zinc/38/44/12/958384412.db2.gz PBSBNCCGNWRDOW-CYBMUJFWSA-N 2 0 255.406 1.319 10 0 CDAERP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]CCC(C)(C)C ZINC001319281028 958472628 /nfs/dbraw/zinc/47/26/28/958472628.db2.gz CARPWERVNUDZGV-AWEZNQCLSA-N 2 0 283.460 1.860 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)NC[C@H]1CC[N@@H+]1CC1CCC1 ZINC001367943316 958500781 /nfs/dbraw/zinc/50/07/81/958500781.db2.gz FPHDRHGIYVSHMN-CABCVRRESA-N 2 0 299.434 1.657 10 0 CDAERP C[C@H](F)CC[NH2+]C1(CNC(=O)C[N@H+](C)C2CCC2)CCC1 ZINC001368477341 958890069 /nfs/dbraw/zinc/89/00/69/958890069.db2.gz PRFFAZZAXWGIFC-ZDUSSCGKSA-N 2 0 299.434 1.847 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC2([NH2+]CCF)CCC2)C1 ZINC001368484972 958895665 /nfs/dbraw/zinc/89/56/65/958895665.db2.gz HXIVAOSJCQFWBK-KBPBESRZSA-N 2 0 299.434 1.705 10 0 CDAERP CC(C)OCCC[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001320080006 958924436 /nfs/dbraw/zinc/92/44/36/958924436.db2.gz DTFLNVIUMWCGOM-HNNXBMFYSA-N 2 0 299.459 1.143 10 0 CDAERP CC(C)[NH2+]C[C@H]1CCC[C@H]1NC(=O)CC[NH+](C)C ZINC001320165352 958981659 /nfs/dbraw/zinc/98/16/59/958981659.db2.gz NTHUPSMDEHPHNE-CHWSQXEVSA-N 2 0 255.406 1.221 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCCCC[C@@H]([NH2+]C[C@H](C)O)C1 ZINC001368749931 959102638 /nfs/dbraw/zinc/10/26/38/959102638.db2.gz PZNVIGGKBXVEPC-LSDHHAIUSA-N 2 0 299.459 1.070 10 0 CDAERP CC(C)CC[NH2+]CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001320547259 959233669 /nfs/dbraw/zinc/23/36/69/959233669.db2.gz DEPHSHDKXIDJPO-HUUCEWRRSA-N 2 0 283.460 1.859 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+]CCc2ccc(F)cc2)CC1 ZINC001320754107 959367719 /nfs/dbraw/zinc/36/77/19/959367719.db2.gz NPKMZKNMAQLOFZ-UHFFFAOYSA-N 2 0 266.360 1.415 10 0 CDAERP CC(C)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001369119402 959469466 /nfs/dbraw/zinc/46/94/66/959469466.db2.gz UWDHHZFHXVDLOQ-CQSZACIVSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cccnc1 ZINC001369229710 959553349 /nfs/dbraw/zinc/55/33/49/959553349.db2.gz AQJDWUGZVRPHRC-ZFWWWQNUSA-N 2 0 290.411 1.112 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@H](C)[NH2+]CC2CC2)C1 ZINC001369271857 959598929 /nfs/dbraw/zinc/59/89/29/959598929.db2.gz WMHDCTBAEJBRTM-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]CC[C@H](C)F ZINC001369314491 959624344 /nfs/dbraw/zinc/62/43/44/959624344.db2.gz QEOHVFRQPUNYDC-STQMWFEESA-N 2 0 275.412 1.511 10 0 CDAERP CC[C@H](F)C[NH2+]C/C=C/CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001321251534 959680339 /nfs/dbraw/zinc/68/03/39/959680339.db2.gz QXIWEQFPNMTOOZ-WEHDMVHDSA-N 2 0 285.407 1.338 10 0 CDAERP C[C@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001321616954 959870320 /nfs/dbraw/zinc/87/03/20/959870320.db2.gz JXXNGSFEAKTHDM-CHWSQXEVSA-N 2 0 269.433 1.611 10 0 CDAERP CCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1CCC ZINC001322167804 960118792 /nfs/dbraw/zinc/11/87/92/960118792.db2.gz GDBWNWVVPQMGGV-KBPBESRZSA-N 2 0 269.433 1.707 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCC(C)(C)C)C1)[NH+](C)C ZINC001370715006 960185229 /nfs/dbraw/zinc/18/52/29/960185229.db2.gz TUBSPXJGVIJFRU-MJBXVCDLSA-N 2 0 283.460 2.000 10 0 CDAERP COC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001370738698 960192967 /nfs/dbraw/zinc/19/29/67/960192967.db2.gz YORUQSHXWHBEAW-SOUVJXGZSA-N 2 0 297.443 1.134 10 0 CDAERP CC[C@H](C(=O)N(C)CCC[NH2+]Cc1cnc(C)o1)[NH+](C)C ZINC001322565953 960261511 /nfs/dbraw/zinc/26/15/11/960261511.db2.gz JOTKCRVVCMGQBK-CQSZACIVSA-N 2 0 296.415 1.261 10 0 CDAERP CCCC[NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001322830513 960336538 /nfs/dbraw/zinc/33/65/38/960336538.db2.gz ASIMFQBDZFHOIV-ZDUSSCGKSA-N 2 0 255.406 1.176 10 0 CDAERP CCC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001323001200 960400483 /nfs/dbraw/zinc/40/04/83/960400483.db2.gz WAGYKHJAAAVWSM-LSDHHAIUSA-N 2 0 281.444 1.754 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]C/C=C/Cl)C1CC1 ZINC001323046799 960419919 /nfs/dbraw/zinc/41/99/19/960419919.db2.gz JRQUOROKMRKRME-XBFYPFSCSA-N 2 0 285.819 1.318 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)CC[NH+]2CC[C@H](F)C2)CC[N@@H+]1C ZINC001433746909 960579097 /nfs/dbraw/zinc/57/90/97/960579097.db2.gz RFFKIQNGNOMJQI-AGIUHOORSA-N 2 0 271.380 1.019 10 0 CDAERP C[NH+](C)C1(CNC(=O)CC[N@@H+]2CC[C@H](F)C2)CCC1 ZINC001433914935 960758136 /nfs/dbraw/zinc/75/81/36/960758136.db2.gz GGQCNZCOACGYKJ-LBPRGKRZSA-N 2 0 271.380 1.021 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NCC[NH+](CC2CCCC2)C2CC2)C1 ZINC001418798136 961030987 /nfs/dbraw/zinc/03/09/87/961030987.db2.gz OXXGSQRNHRXIAI-HNNXBMFYSA-N 2 0 293.455 1.709 10 0 CDAERP CCCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC001418877954 961120281 /nfs/dbraw/zinc/12/02/81/961120281.db2.gz VWHVBWRRMAXXCB-HUUCEWRRSA-N 2 0 299.459 1.020 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001418880872 961128486 /nfs/dbraw/zinc/12/84/86/961128486.db2.gz AFBXDPWRPXPQEK-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001419589539 961842276 /nfs/dbraw/zinc/84/22/76/961842276.db2.gz FVHDEWKREGHNGH-CQSZACIVSA-N 2 0 281.444 1.851 10 0 CDAERP C[NH+](C)CCC(=O)N1CCCC[C@H]1[C@H]1CCC[N@@H+]1CCF ZINC001419624065 961883432 /nfs/dbraw/zinc/88/34/32/961883432.db2.gz IUTIXTDDAVJVHU-CABCVRRESA-N 2 0 299.434 1.753 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC1CC2(CCC2)C1 ZINC001419715453 962017371 /nfs/dbraw/zinc/01/73/71/962017371.db2.gz UKIATYNLMQDYIZ-ZFWWWQNUSA-N 2 0 293.455 1.755 10 0 CDAERP CC(C)[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC1CC1 ZINC001419889392 962204567 /nfs/dbraw/zinc/20/45/67/962204567.db2.gz NHMSMWUXUVWMKS-HUUCEWRRSA-N 2 0 281.444 1.611 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001436363851 962213536 /nfs/dbraw/zinc/21/35/36/962213536.db2.gz HGKMCHOWCVYJIE-MCIONIFRSA-N 2 0 297.418 1.315 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1cncc(F)c1 ZINC001419915529 962231378 /nfs/dbraw/zinc/23/13/78/962231378.db2.gz VKOJNQTVROMANY-LBPRGKRZSA-N 2 0 296.390 1.157 10 0 CDAERP CCC(CC)C[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001419987675 962335101 /nfs/dbraw/zinc/33/51/01/962335101.db2.gz GDIIANZQBNTUBY-OAHLLOKOSA-N 2 0 283.460 1.812 10 0 CDAERP CC[C@@H](C[NH+]1CCC(N(C)C(=O)CC[NH+](C)C)CC1)OC ZINC001436675436 962340049 /nfs/dbraw/zinc/34/00/49/962340049.db2.gz SLLSEJFRUXPGSX-HNNXBMFYSA-N 2 0 299.459 1.286 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001420018941 962381220 /nfs/dbraw/zinc/38/12/20/962381220.db2.gz SBRKRNFOUXFSSM-LSDHHAIUSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCC(F)(F)F ZINC001437131101 962663449 /nfs/dbraw/zinc/66/34/49/962663449.db2.gz NJCCIAGVVHZPJK-HBNTYKKESA-N 2 0 295.349 1.373 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+]CC1CC(C)(C)C1 ZINC001420359249 962789532 /nfs/dbraw/zinc/78/95/32/962789532.db2.gz HMZDLSYVQANDMU-CYBMUJFWSA-N 2 0 283.460 1.859 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CC[NH+](CCCF)C1 ZINC001437709767 963136074 /nfs/dbraw/zinc/13/60/74/963136074.db2.gz ASBWOBLLDCRRLW-CABCVRRESA-N 2 0 299.434 1.659 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]Cc1cccnc1)C1CC1 ZINC001420765303 963227433 /nfs/dbraw/zinc/22/74/33/963227433.db2.gz YLVSZOQSQBIKNT-OAHLLOKOSA-N 2 0 290.411 1.018 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001420851724 963304796 /nfs/dbraw/zinc/30/47/96/963304796.db2.gz JTELRCHXNAXMIE-GJZGRUSLSA-N 2 0 281.444 1.707 10 0 CDAERP CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001420885819 963330874 /nfs/dbraw/zinc/33/08/74/963330874.db2.gz IEEVEZAUMDJRGF-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001420981512 963402926 /nfs/dbraw/zinc/40/29/26/963402926.db2.gz LNHUGQFPHPBBHT-KBPBESRZSA-N 2 0 279.428 1.652 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N[C@@]2(C)CC[NH+](CCC3CC3)C2)C1 ZINC001421217011 963502933 /nfs/dbraw/zinc/50/29/33/963502933.db2.gz FXSADMLUJAWDJP-YOEHRIQHSA-N 2 0 293.455 1.709 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@]1(C)CC[NH+](CC[C@H](C)F)C1 ZINC001421217320 963504342 /nfs/dbraw/zinc/50/43/42/963504342.db2.gz GETVPHYSIYSDKR-DZGCQCFKSA-N 2 0 287.423 1.657 10 0 CDAERP CN(CC[N@H+](C)CC1CC1)C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001438919409 963599661 /nfs/dbraw/zinc/59/96/61/963599661.db2.gz GJTHUKQMVXCBPI-HZPDHXFCSA-N 2 0 293.455 1.804 10 0 CDAERP C[C@@H](F)CC[N@H+](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001439364715 963738999 /nfs/dbraw/zinc/73/89/99/963738999.db2.gz OBQNUARXJSUHPL-OLZOCXBDSA-N 2 0 287.423 1.513 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001439813022 963866675 /nfs/dbraw/zinc/86/66/75/963866675.db2.gz LPJBPXLJTKHVBJ-HIFRSBDPSA-N 2 0 281.444 1.613 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CCF)CC2 ZINC001440241671 963953880 /nfs/dbraw/zinc/95/38/80/963953880.db2.gz PJBBBFWVGWYBHO-UHFFFAOYSA-N 2 0 299.434 1.612 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H]([NH2+]CC1CCC1)C1CC1 ZINC001441287437 964450619 /nfs/dbraw/zinc/45/06/19/964450619.db2.gz ACOWZABSEXOVON-HNNXBMFYSA-N 2 0 281.444 1.611 10 0 CDAERP CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001441507634 964561251 /nfs/dbraw/zinc/56/12/51/964561251.db2.gz JMVMXRSLILCGQH-IYBDPMFKSA-N 2 0 289.423 1.418 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]C(C)C ZINC001441547910 964583214 /nfs/dbraw/zinc/58/32/14/964583214.db2.gz PTFGGXBKTVQRSG-HUUCEWRRSA-N 2 0 283.460 1.952 10 0 CDAERP CC(C)[NH2+]C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)(C)C ZINC001442191048 964905808 /nfs/dbraw/zinc/90/58/08/964905808.db2.gz XDMYBZPXDLBOQT-KGLIPLIRSA-N 2 0 283.460 1.857 10 0 CDAERP CC(C)OCC[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001442484928 965084692 /nfs/dbraw/zinc/08/46/92/965084692.db2.gz BDBVTNZEPOTALL-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001558103098 965232908 /nfs/dbraw/zinc/23/29/08/965232908.db2.gz OHJODPXNZTUBAW-BFHYXJOUSA-N 2 0 267.417 1.317 10 0 CDAERP CC[N@@H+]1CC[C@H](CCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001443267785 965419650 /nfs/dbraw/zinc/41/96/50/965419650.db2.gz RIIOWFRSQWDXQZ-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[NH+]1CC(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001443614262 965535830 /nfs/dbraw/zinc/53/58/30/965535830.db2.gz NCOUIZLJEUPNFW-MRXNPFEDSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)CC[NH+]1CC(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001443616076 965536451 /nfs/dbraw/zinc/53/64/51/965536451.db2.gz RQMARQXUAQZEPD-CQSZACIVSA-N 2 0 281.444 1.422 10 0 CDAERP CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC1CCC1 ZINC001444045690 965722008 /nfs/dbraw/zinc/72/20/08/965722008.db2.gz XURAFFYIHGGSJP-CQSZACIVSA-N 2 0 279.428 1.367 10 0 CDAERP O=C(CC[N@H+]1CC[C@H](F)C1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001444208494 965761144 /nfs/dbraw/zinc/76/11/44/965761144.db2.gz JLNRMUGDBVUBEY-GJZGRUSLSA-N 2 0 297.418 1.507 10 0 CDAERP CCC[NH2+][C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001444871241 965984675 /nfs/dbraw/zinc/98/46/75/965984675.db2.gz KMRVNSARCURMEE-CABCVRRESA-N 2 0 281.444 1.469 10 0 CDAERP CC(C)[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccccn1 ZINC001444899464 965995448 /nfs/dbraw/zinc/99/54/48/965995448.db2.gz HUUNIXRQESUVME-HNNXBMFYSA-N 2 0 292.427 1.264 10 0 CDAERP CC(C)[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]C[C@H]1CCCOC1 ZINC001444904405 965996612 /nfs/dbraw/zinc/99/66/12/965996612.db2.gz OUNRFUYSQHDUGI-HUUCEWRRSA-N 2 0 299.459 1.095 10 0 CDAERP CCC(CC)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CN(CC)CCO1 ZINC001445658097 966266566 /nfs/dbraw/zinc/26/65/66/966266566.db2.gz PTGIMRSRSIQJQH-ZFWWWQNUSA-N 2 0 299.459 1.238 10 0 CDAERP CC[C@@H](C)C[N@H+](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001445821762 966350320 /nfs/dbraw/zinc/35/03/20/966350320.db2.gz VPJBFQWYDNHUMR-ZIAGYGMSSA-N 2 0 283.460 1.811 10 0 CDAERP CO[C@H](C)C[NH2+]C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001447093682 966698426 /nfs/dbraw/zinc/69/84/26/966698426.db2.gz QGKAYETWDBGQRX-RBSFLKMASA-N 2 0 299.459 1.238 10 0 CDAERP CC(C)[N@H+](C)CCCNC(=O)[C@@H]1CC[C@@H]2C[C@@H](C)C[NH+]2C1 ZINC001350892553 966790143 /nfs/dbraw/zinc/79/01/43/966790143.db2.gz QJGSJPLOIQRRCP-BZUAXINKSA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(C)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001447569128 966819482 /nfs/dbraw/zinc/81/94/82/966819482.db2.gz MPZOZIIWKUBROZ-CQSZACIVSA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)CC[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001448089645 966994235 /nfs/dbraw/zinc/99/42/35/966994235.db2.gz DYTJBMMQPNSNAZ-LSDHHAIUSA-N 2 0 283.460 1.811 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@]12CCC[C@H]1[NH+](CC1CC1)CC2 ZINC001449012572 967335712 /nfs/dbraw/zinc/33/57/12/967335712.db2.gz KRCWRAJZFCVDIQ-NVXWUHKLSA-N 2 0 293.455 1.851 10 0 CDAERP COCCC[NH2+]C[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001480366550 967422596 /nfs/dbraw/zinc/42/25/96/967422596.db2.gz ABHASINWADRMND-HNNXBMFYSA-N 2 0 297.443 1.089 10 0 CDAERP C[C@H]1CN(C(=[NH2+])NCC[N@H+](C)C2CCCC2)CCO1 ZINC000849006311 969399297 /nfs/dbraw/zinc/39/92/97/969399297.db2.gz VIPYQUMVDXZEAQ-LBPRGKRZSA-N 2 0 268.405 1.106 10 0 CDAERP Cc1ncsc1CCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001473116775 969507649 /nfs/dbraw/zinc/50/76/49/969507649.db2.gz XDAFSNWHIRZARJ-TXEJJXNPSA-N 2 0 251.399 1.535 10 0 CDAERP O=C1CC[C@@H](C[NH+]2CCC(O)(C[NH+]3CCCCC3)CC2)O1 ZINC001460946943 969571850 /nfs/dbraw/zinc/57/18/50/969571850.db2.gz RAESHYMHTIZVAW-AWEZNQCLSA-N 2 0 296.411 1.005 10 0 CDAERP CC[N@H+](C)[C@@H]1CCN(C(=O)N[C@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC001413895645 969672175 /nfs/dbraw/zinc/67/21/75/969672175.db2.gz RKCYRTZXEXNKQF-UONOGXRCSA-N 2 0 296.459 1.595 10 0 CDAERP O=C(CC[N@H+]1CC[C@@H](F)C1)N1CCC([NH2+]C2CCC2)CC1 ZINC001472266448 970611048 /nfs/dbraw/zinc/61/10/48/970611048.db2.gz VKOPFNOEBFOKKS-CYBMUJFWSA-N 2 0 297.418 1.553 10 0 CDAERP CCC[NH2+]C[C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001495769602 972627847 /nfs/dbraw/zinc/62/78/47/972627847.db2.gz FBOYGFKJCIAIOF-CQSZACIVSA-N 2 0 269.433 1.470 10 0 CDAERP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C[NH2+]CC1CCC1 ZINC001495787650 972631905 /nfs/dbraw/zinc/63/19/05/972631905.db2.gz YZPIXNXBUMMFMS-UKRRQHHQSA-N 2 0 281.444 1.470 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+](CC2CCC2)C1 ZINC001569646157 1169950674 /nfs/dbraw/zinc/95/06/74/1169950674.db2.gz DZSNJSFDCIPEMY-HNNXBMFYSA-N 2 0 267.417 1.319 10 0 CDAERP CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CCCC[NH+](C)C ZINC001496484598 972937532 /nfs/dbraw/zinc/93/75/32/972937532.db2.gz CSVPLXYXKANSBQ-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP Cc1ncc(CN2CCC[C@H]2CNC(=O)CC[NH+](C)C)o1 ZINC001372560289 973021530 /nfs/dbraw/zinc/02/15/30/973021530.db2.gz WDVXGBXRHLKMER-ZDUSSCGKSA-N 2 0 294.399 1.015 10 0 CDAERP CCC[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)CC1CC1 ZINC001372743620 973105213 /nfs/dbraw/zinc/10/52/13/973105213.db2.gz WICCKHLVMPDCDZ-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCN(C)C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001496827060 973111076 /nfs/dbraw/zinc/11/10/76/973111076.db2.gz HEWUVRRWJOLLFG-HOCLYGCPSA-N 2 0 299.434 1.611 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CC[C@@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001373249239 973327012 /nfs/dbraw/zinc/32/70/12/973327012.db2.gz WQQPLWAILMLGSB-HUUCEWRRSA-N 2 0 299.434 1.659 10 0 CDAERP CCN(CC[NH2+]CCF)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001497407781 973335246 /nfs/dbraw/zinc/33/52/46/973335246.db2.gz OBUYWZSRWRZADE-ZIAGYGMSSA-N 2 0 285.407 1.411 10 0 CDAERP CCN(CC[NH2+]C[C@H]1CCCCO1)C(=O)C[NH+]1CCCC1 ZINC001497495647 973365932 /nfs/dbraw/zinc/36/59/32/973365932.db2.gz LAPTYTAXPIKXMZ-OAHLLOKOSA-N 2 0 297.443 1.089 10 0 CDAERP CC[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001497581074 973419891 /nfs/dbraw/zinc/41/98/91/973419891.db2.gz ZZHCNBOHXCRNHM-CFHLNLSMSA-N 2 0 253.390 1.141 10 0 CDAERP C[C@@H]1C[C@@H](C[NH2+]C/C=C\CNC(=O)CC[NH+](C)C)CCO1 ZINC001497673134 973459280 /nfs/dbraw/zinc/45/92/80/973459280.db2.gz FATOBLXDOFLGMV-NWRQEBOHSA-N 2 0 297.443 1.015 10 0 CDAERP C[NH+](C)CCC(=O)NCC1C[NH+](CC2CC3(CCC3)C2)C1 ZINC001373530925 973482472 /nfs/dbraw/zinc/48/24/72/973482472.db2.gz UVKWTVRGKODSLH-UHFFFAOYSA-N 2 0 293.455 1.566 10 0 CDAERP C[C@H](C[NH2+]CCC(F)(F)F)NC(=O)C[N@H+](C)C1CCC1 ZINC001497829924 973542555 /nfs/dbraw/zinc/54/25/55/973542555.db2.gz UZJWFQPOZRRSPS-SNVBAGLBSA-N 2 0 295.349 1.517 10 0 CDAERP CCC(CC)C[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001418046248 973546278 /nfs/dbraw/zinc/54/62/78/973546278.db2.gz KGXINSHJDLKKGD-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001373681966 973565784 /nfs/dbraw/zinc/56/57/84/973565784.db2.gz WGSNYBZRJLKIHL-UONOGXRCSA-N 2 0 287.423 1.609 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001418105775 973589357 /nfs/dbraw/zinc/58/93/57/973589357.db2.gz ZVDVYDNTECXEON-UPJWGTAASA-N 2 0 273.396 1.313 10 0 CDAERP CC[C@H](F)C[NH2+]CC1(NC(=O)Cc2c[nH]cn2)CCCC1 ZINC001373857527 973669909 /nfs/dbraw/zinc/66/99/09/973669909.db2.gz QUGRNVLSQNGOBQ-LBPRGKRZSA-N 2 0 296.390 1.719 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)N2CC([NH+]3CCCC3)C2)C1 ZINC001418407599 973803122 /nfs/dbraw/zinc/80/31/22/973803122.db2.gz WZAOAAPEDPBPJU-KBPBESRZSA-N 2 0 279.428 1.413 10 0 CDAERP CC[C@@H](C)C[N@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001498391516 973881548 /nfs/dbraw/zinc/88/15/48/973881548.db2.gz AFTCAGPSZDYLAF-OLZOCXBDSA-N 2 0 257.422 1.421 10 0 CDAERP CCC[NH2+]CCCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001498643961 974008311 /nfs/dbraw/zinc/00/83/11/974008311.db2.gz OQIWPQJJGUCMLC-ZDUSSCGKSA-N 2 0 257.422 1.421 10 0 CDAERP C[C@H](C[NH2+]Cc1ccsc1)NC(=O)C1([NH+](C)C)CCC1 ZINC001374773046 974111857 /nfs/dbraw/zinc/11/18/57/974111857.db2.gz UVAYSTLLZDQVRO-GFCCVEGCSA-N 2 0 295.452 1.827 10 0 CDAERP C[NH+](C)CCC(=O)NCC1([NH2+]Cc2ccc(F)cc2)CC1 ZINC001499336099 974238482 /nfs/dbraw/zinc/23/84/82/974238482.db2.gz KGXSZFIIPXFWRS-UHFFFAOYSA-N 2 0 293.386 1.516 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1CCCC1)C1CC1 ZINC001375216028 974294425 /nfs/dbraw/zinc/29/44/25/974294425.db2.gz NKBWYPHOJNYDEM-HOTGVXAUSA-N 2 0 293.455 1.755 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CCF)C1CCCC1 ZINC001500097348 974373191 /nfs/dbraw/zinc/37/31/91/974373191.db2.gz SZLXHRGQQWMYDD-CABCVRRESA-N 2 0 299.434 1.705 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]C[C@H](F)CC)CC1 ZINC001375425294 974378134 /nfs/dbraw/zinc/37/81/34/974378134.db2.gz OBTZZMSDPUIAJF-ZIAGYGMSSA-N 2 0 299.434 1.847 10 0 CDAERP CC[C@@H](C[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)C(C)C)OC ZINC001375471532 974396486 /nfs/dbraw/zinc/39/64/86/974396486.db2.gz LGDUONODVNISDW-CABCVRRESA-N 2 0 299.459 1.284 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@]1(C)CC[NH+](CC2CC2)C1 ZINC001500228484 974406788 /nfs/dbraw/zinc/40/67/88/974406788.db2.gz WLBZPDYOFNDUID-NVXWUHKLSA-N 2 0 293.455 1.851 10 0 CDAERP Cc1cncn1CC(=O)NC[C@H]1C[C@H]([NH2+]CC2CCC2)C1 ZINC001375539543 974417116 /nfs/dbraw/zinc/41/71/16/974417116.db2.gz UMMIJTNOHAWRJW-SHTZXODSSA-N 2 0 290.411 1.476 10 0 CDAERP CC(C)[NH2+]C[C@]1(C)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001500394012 974430981 /nfs/dbraw/zinc/43/09/81/974430981.db2.gz ROXPDYXBJMAKSR-HNNXBMFYSA-N 2 0 279.428 1.319 10 0 CDAERP CC[C@@H](C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C)OC ZINC001375672340 974450971 /nfs/dbraw/zinc/45/09/71/974450971.db2.gz TWGCMMQODRHNCF-ILXRZTDVSA-N 2 0 299.459 1.331 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N[C@]2(C)CC[NH+](CCCF)C2)C1 ZINC001375844323 974493605 /nfs/dbraw/zinc/49/36/05/974493605.db2.gz BNTGUFYDPNCVFA-UKRRQHHQSA-N 2 0 285.407 1.268 10 0 CDAERP COCC[N@@H+]1CCC[C@](C)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001375963435 974525404 /nfs/dbraw/zinc/52/54/04/974525404.db2.gz WKOQRJIZGNLMDP-MRXNPFEDSA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@H](F)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](C)C ZINC001376652635 974705045 /nfs/dbraw/zinc/70/50/45/974705045.db2.gz VQURYBRHGMWXAS-PDWCTOEPSA-N 2 0 285.407 1.121 10 0 CDAERP CC(C)CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001376722720 974744229 /nfs/dbraw/zinc/74/42/29/974744229.db2.gz WSIZZHJWHQUKNP-CABCVRRESA-N 2 0 283.460 2.000 10 0 CDAERP CCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001377007183 974851318 /nfs/dbraw/zinc/85/13/18/974851318.db2.gz XEAFUSOMFXMURE-CABCVRRESA-N 2 0 281.444 1.661 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001377019474 974855740 /nfs/dbraw/zinc/85/57/40/974855740.db2.gz AFZYRICVJOYNCZ-DZGCQCFKSA-N 2 0 281.444 1.469 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001377151651 974905925 /nfs/dbraw/zinc/90/59/25/974905925.db2.gz GTOHYFRVUXYGRZ-ZFWWWQNUSA-N 2 0 281.444 1.422 10 0 CDAERP Cc1ccncc1C[NH2+][C@H](C)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001505686954 974964041 /nfs/dbraw/zinc/96/40/41/974964041.db2.gz WZPMZPARAUPUST-ZIAGYGMSSA-N 2 0 292.427 1.325 10 0 CDAERP CCCC[NH2+][C@H](C)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001505754545 974982747 /nfs/dbraw/zinc/98/27/47/974982747.db2.gz UREXKEBPHPYKCG-OLZOCXBDSA-N 2 0 255.406 1.365 10 0 CDAERP COCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001506014917 975084911 /nfs/dbraw/zinc/08/49/11/975084911.db2.gz KZSMKXNMTUPLFV-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP CC[NH2+]CC(C)(C)CN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001377972791 975189663 /nfs/dbraw/zinc/18/96/63/975189663.db2.gz PZRQOQVETHTUJB-OKILXGFUSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[N@H+](C)CC1CC1 ZINC001378108290 975243792 /nfs/dbraw/zinc/24/37/92/975243792.db2.gz BDLNUTZCDCEEMV-ZDUSSCGKSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)C[NH2+]CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001506938379 975267212 /nfs/dbraw/zinc/26/72/12/975267212.db2.gz QHMQHYSSYIBGLE-GJZGRUSLSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC1CC(C)(C)C1 ZINC001507059397 975316210 /nfs/dbraw/zinc/31/62/10/975316210.db2.gz DGHGVACOQSHSEH-HIFRSBDPSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]C[C@H]1CCCCO1 ZINC001507154021 975356308 /nfs/dbraw/zinc/35/63/08/975356308.db2.gz LRVKEWZIAQGTEA-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@]12CCC[C@@H]1[N@H+](CCC1CC1)CC2 ZINC001507349092 975426464 /nfs/dbraw/zinc/42/64/64/975426464.db2.gz RDXAMEOTHLIPGM-DOTOQJQBSA-N 2 0 293.455 1.851 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@](C)(C[NH2+]CC1CCC1)C1CC1 ZINC001401010491 975436007 /nfs/dbraw/zinc/43/60/07/975436007.db2.gz YWPWKMZXQPGOHK-DOTOQJQBSA-N 2 0 293.455 1.755 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]([NH2+]CCCF)C(C)(C)C2)C1 ZINC001507450114 975475236 /nfs/dbraw/zinc/47/52/36/975475236.db2.gz PWJSHAWFZJOFAR-ZIAGYGMSSA-N 2 0 299.434 1.514 10 0 CDAERP CC(C)[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001397139277 975477822 /nfs/dbraw/zinc/47/78/22/975477822.db2.gz IGTYZSQEAKWTRJ-BIQWYFBQSA-N 2 0 281.444 1.752 10 0 CDAERP C[N@H+](CC(=O)NC1C[NH+](CCC(C)(C)C)C1)C1CCC1 ZINC001404762121 975478471 /nfs/dbraw/zinc/47/84/71/975478471.db2.gz ARIOKPHNHWTQPZ-UHFFFAOYSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccns1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001378856429 975517431 /nfs/dbraw/zinc/51/74/31/975517431.db2.gz VCCJTPBONAQQNP-RYUDHWBXSA-N 2 0 296.440 1.031 10 0 CDAERP CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccns1)[NH+](C)C ZINC001401251692 975546006 /nfs/dbraw/zinc/54/60/06/975546006.db2.gz JEKIOYOLYXHKRO-DGCLKSJQSA-N 2 0 298.456 1.420 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001388715663 975566791 /nfs/dbraw/zinc/56/67/91/975566791.db2.gz NBIUTCXQRHCYDS-XFIYOXNOSA-N 2 0 295.471 1.857 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001388720633 975568487 /nfs/dbraw/zinc/56/84/87/975568487.db2.gz HKVSQHMQVAPTHR-AAVRWANBSA-N 2 0 287.423 1.559 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H](C)C1CC[NH+](CCF)CC1 ZINC001508086587 975602217 /nfs/dbraw/zinc/60/22/17/975602217.db2.gz IVKNHRTYRXKIGG-ZDUSSCGKSA-N 2 0 287.423 1.514 10 0 CDAERP Cc1ccc(C[N@@H+](C)CCN(C)C(=O)CC[NH+](C)C)cc1 ZINC001401385549 975637971 /nfs/dbraw/zinc/63/79/71/975637971.db2.gz KGHQPMABULPIOT-UHFFFAOYSA-N 2 0 291.439 1.837 10 0 CDAERP Cc1ncccc1C[N@@H+](C)CCN(C)C(=O)CC[NH+](C)C ZINC001379098759 975661250 /nfs/dbraw/zinc/66/12/50/975661250.db2.gz VXGLQNPCAXNOPK-UHFFFAOYSA-N 2 0 292.427 1.232 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C ZINC001397791703 975720551 /nfs/dbraw/zinc/72/05/51/975720551.db2.gz HAQLVXRWIHTAEA-ZNMIVQPWSA-N 2 0 283.460 1.952 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)C[NH+](C)CCOC)C1 ZINC001401777892 975902106 /nfs/dbraw/zinc/90/21/06/975902106.db2.gz CMVDRVRLJHQSNG-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP O=C(NC[C@H]([NH2+]CCF)C1CC1)C12CCC[NH+](CCC1)C2 ZINC001398385936 975969236 /nfs/dbraw/zinc/96/92/36/975969236.db2.gz FVKBWKZTPVKHAB-AWEZNQCLSA-N 2 0 297.418 1.316 10 0 CDAERP CCC[N@@H+]1CC[C@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001379631978 975970921 /nfs/dbraw/zinc/97/09/21/975970921.db2.gz PUMATVNOXVIWNQ-RHSMWYFYSA-N 2 0 293.455 1.851 10 0 CDAERP CC[C@H](C(=O)NC[C@H]1CC[N@@H+]1CCC(C)(C)C)[NH+](C)C ZINC001401892173 975981481 /nfs/dbraw/zinc/98/14/81/975981481.db2.gz GXUMFSADHPBQLT-ZIAGYGMSSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1CCC1CC1 ZINC001379651165 975988733 /nfs/dbraw/zinc/98/87/33/975988733.db2.gz GLMBPWBLPLFYAF-UKRRQHHQSA-N 2 0 281.444 1.707 10 0 CDAERP C[N@H+](CCCF)C[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001398462059 975993406 /nfs/dbraw/zinc/99/34/06/975993406.db2.gz JBMZRZGOGPNLCP-LSDHHAIUSA-N 2 0 299.434 1.468 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC[C@H](C)F)C1 ZINC001389821252 976004548 /nfs/dbraw/zinc/00/45/48/976004548.db2.gz RQZHFXONTVOQBX-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]C/C=C/Cl)C(C)(C)C1 ZINC001379722003 976032231 /nfs/dbraw/zinc/03/22/31/976032231.db2.gz ZSUYRGBWLPMHTA-HOSRBBHYSA-N 2 0 287.835 1.517 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)C1C[NH+](CC2CCCC2)C1 ZINC001402040004 976092100 /nfs/dbraw/zinc/09/21/00/976092100.db2.gz NKKBJQNOUSKRHO-UHFFFAOYSA-N 2 0 281.444 1.661 10 0 CDAERP CC(C)CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001402099255 976122414 /nfs/dbraw/zinc/12/24/14/976122414.db2.gz JLDXBYGVCQUPEC-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+](C/C=C\Cl)C1 ZINC001402124669 976135274 /nfs/dbraw/zinc/13/52/74/976135274.db2.gz FQVACJFXSKPDOU-IRBQFCFKSA-N 2 0 273.808 1.271 10 0 CDAERP CC(C)[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001402156778 976152673 /nfs/dbraw/zinc/15/26/73/976152673.db2.gz DBBYHJLAKAUABS-GDBMZVCRSA-N 2 0 281.444 1.707 10 0 CDAERP CCC[N@H+](C)CCN(C(=O)[C@@H](CC)[NH+](C)C)C(C)C ZINC001380001397 976173908 /nfs/dbraw/zinc/17/39/08/976173908.db2.gz FNNYKESMDAMZHT-CQSZACIVSA-N 2 0 271.449 1.905 10 0 CDAERP C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+]CC1CCCC1 ZINC001390431959 976287028 /nfs/dbraw/zinc/28/70/28/976287028.db2.gz DNOZNJSEIDZHLZ-AWEZNQCLSA-N 2 0 293.455 1.899 10 0 CDAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccccc1 ZINC001390510274 976342865 /nfs/dbraw/zinc/34/28/65/976342865.db2.gz OQWGTNBENROQDA-CQSZACIVSA-N 2 0 287.407 1.377 10 0 CDAERP CC[C@H](F)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001402543950 976353036 /nfs/dbraw/zinc/35/30/36/976353036.db2.gz HRNMGRNVFWZQBX-STQMWFEESA-N 2 0 285.407 1.457 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001390530781 976353204 /nfs/dbraw/zinc/35/32/04/976353204.db2.gz DBFCUPDYNGIBAR-ZDUSSCGKSA-N 2 0 283.460 1.857 10 0 CDAERP C[C@H](C[N@@H+](C)CC[C@H](C)F)NC(=O)C12CC[NH+](CC1)C2 ZINC001406700783 976375745 /nfs/dbraw/zinc/37/57/45/976375745.db2.gz SYEAJEVUVUJMGU-QWHCGFSZSA-N 2 0 285.407 1.267 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]CC2CCC2)C1 ZINC001399231445 976390623 /nfs/dbraw/zinc/39/06/23/976390623.db2.gz ATJRXQHJHYKUEZ-OAHLLOKOSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC[C@@H](C)[NH2+]CC(C)C)CC[N@@H+]1C ZINC001390660328 976422870 /nfs/dbraw/zinc/42/28/70/976422870.db2.gz WEAYQGJTVMARPG-QLFBSQMISA-N 2 0 283.460 1.857 10 0 CDAERP CC(C)[NH+]1CCC2(CCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001407028860 976517957 /nfs/dbraw/zinc/51/79/57/976517957.db2.gz UJZWACQIEAYWMP-UHFFFAOYSA-N 2 0 281.444 1.661 10 0 CDAERP CC(C)C[C@@H](C)C[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001407050695 976529248 /nfs/dbraw/zinc/52/92/48/976529248.db2.gz AGMRQAXAJHQGBT-GDBMZVCRSA-N 2 0 295.471 1.905 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@H]1CCC[N@H+]1CCCF ZINC001391074942 976674391 /nfs/dbraw/zinc/67/43/91/976674391.db2.gz LIIGSKWLGDNETB-CYBMUJFWSA-N 2 0 271.380 1.022 10 0 CDAERP CC[C@H](C(=O)NCC[C@H](C)[NH2+]CCC(F)(F)F)[NH+](C)C ZINC001381197265 976715443 /nfs/dbraw/zinc/71/54/43/976715443.db2.gz UHXRFSACJZNOCT-WDEREUQCSA-N 2 0 297.365 1.763 10 0 CDAERP CC(C)CC[NH+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001407715603 976740064 /nfs/dbraw/zinc/74/00/64/976740064.db2.gz MRQTVZFVLNTPPK-UHFFFAOYSA-N 2 0 295.471 1.909 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001399919282 976747017 /nfs/dbraw/zinc/74/70/17/976747017.db2.gz WHIDDXCCWOMHLZ-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CCC1CCCC1 ZINC001403146047 976762521 /nfs/dbraw/zinc/76/25/21/976762521.db2.gz WDYMUAIGMYNZJV-CQSZACIVSA-N 2 0 281.444 1.757 10 0 CDAERP CC(C)(C(=O)NCC[C@H]1CC[N@H+](CCF)C1)[NH+]1CCCC1 ZINC001391320207 976810936 /nfs/dbraw/zinc/81/09/36/976810936.db2.gz PWLNPHGEKPWKEO-AWEZNQCLSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCCF)[C@H](C)C1 ZINC001408177103 976954623 /nfs/dbraw/zinc/95/46/23/976954623.db2.gz MUFKPFBUXGHMLB-ZIAGYGMSSA-N 2 0 287.423 1.655 10 0 CDAERP CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001403438060 976954933 /nfs/dbraw/zinc/95/49/33/976954933.db2.gz ZPICENCYUXJFFP-ZSOGYDGISA-N 2 0 281.444 1.278 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCC2CC2)CC1(C)C)[NH+](C)C ZINC001381851457 977051364 /nfs/dbraw/zinc/05/13/64/977051364.db2.gz FABQSTKQSMNGLD-HUUCEWRRSA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC1CCCC1 ZINC001391747353 977079501 /nfs/dbraw/zinc/07/95/01/977079501.db2.gz DTKLGOSIQUVVFF-HNNXBMFYSA-N 2 0 281.444 1.757 10 0 CDAERP COC[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001381963632 977102926 /nfs/dbraw/zinc/10/29/26/977102926.db2.gz SRRYZQAUKLSDBR-TUVASFSCSA-N 2 0 299.459 1.092 10 0 CDAERP CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccns1)[NH+](C)C ZINC001382092228 977162148 /nfs/dbraw/zinc/16/21/48/977162148.db2.gz FWVPZSVGXBSHEQ-DGCLKSJQSA-N 2 0 298.456 1.420 10 0 CDAERP C[C@@H]1[C@H]([NH2+]C/C=C/Cl)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001403776377 977186786 /nfs/dbraw/zinc/18/67/86/977186786.db2.gz VKUHVLKUWSXCIH-CIWFBCQASA-N 2 0 297.830 1.414 10 0 CDAERP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cncs1 ZINC001400853201 977225241 /nfs/dbraw/zinc/22/52/41/977225241.db2.gz LUXUPMLACJRPEU-NSHDSACASA-N 2 0 284.429 1.079 10 0 CDAERP Cc1ccccc1C[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+](C)C ZINC001392123177 977227206 /nfs/dbraw/zinc/22/72/06/977227206.db2.gz SBKAUONCHQCAKG-OAHLLOKOSA-N 2 0 291.439 1.883 10 0 CDAERP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cc(C)no1 ZINC001400937691 977251705 /nfs/dbraw/zinc/25/17/05/977251705.db2.gz XNFHLTDPEBFVLX-ZDUSSCGKSA-N 2 0 294.399 1.063 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)C1CC1 ZINC001404261037 977382711 /nfs/dbraw/zinc/38/27/11/977382711.db2.gz BSYJROZMLLDLIH-GJZGRUSLSA-N 2 0 279.428 1.604 10 0 CDAERP CN(CC[N@H+](C)CC1CC1)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001392318214 977407389 /nfs/dbraw/zinc/40/73/89/977407389.db2.gz HPYMJEQBOHTYLT-HOTGVXAUSA-N 2 0 295.471 1.907 10 0 CDAERP CCC(CC)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001392732116 977578071 /nfs/dbraw/zinc/57/80/71/977578071.db2.gz YXKAJMHNSKDNGC-ZFWWWQNUSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001392863242 977628711 /nfs/dbraw/zinc/62/87/11/977628711.db2.gz LFUCZJCZGZQWAJ-DZGCQCFKSA-N 2 0 299.434 1.657 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001392863245 977629635 /nfs/dbraw/zinc/62/96/35/977629635.db2.gz LFUCZJCZGZQWAJ-HIFRSBDPSA-N 2 0 299.434 1.657 10 0 CDAERP C[C@H](F)CC[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CCC1 ZINC001393546551 977831149 /nfs/dbraw/zinc/83/11/49/977831149.db2.gz SAJDMYJWMIXXEV-ZDUSSCGKSA-N 2 0 299.434 1.847 10 0 CDAERP CC[C@@H](C)C[N@H+](C)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001394073497 978050304 /nfs/dbraw/zinc/05/03/04/978050304.db2.gz KYBZLDJUMJDQHQ-ZIAGYGMSSA-N 2 0 283.460 1.953 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@@H]1[C@H]2C[NH+](CC[C@@H](C)F)C[C@H]21 ZINC001394323140 978133212 /nfs/dbraw/zinc/13/32/12/978133212.db2.gz PAPHCCIWJUXXPN-TUVASFSCSA-N 2 0 299.434 1.370 10 0 CDAERP CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001394349735 978138552 /nfs/dbraw/zinc/13/85/52/978138552.db2.gz WKSYYJCJJUNXMS-TUVASFSCSA-N 2 0 279.428 1.032 10 0 CDAERP CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1cc(C)no1)[NH+](C)C ZINC001394535075 978196072 /nfs/dbraw/zinc/19/60/72/978196072.db2.gz DRQVNUCHKOAWOY-GXTWGEPZSA-N 2 0 296.415 1.260 10 0 CDAERP C[C@@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]CC1CCCC1 ZINC001394540167 978198717 /nfs/dbraw/zinc/19/87/17/978198717.db2.gz PVNFAPPLDSDNLZ-AWEZNQCLSA-N 2 0 293.455 1.709 10 0 CDAERP C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]CC1CCCC1 ZINC001394540173 978198990 /nfs/dbraw/zinc/19/89/90/978198990.db2.gz PVNFAPPLDSDNLZ-CQSZACIVSA-N 2 0 293.455 1.709 10 0 CDAERP C[C@@H](CCC[NH2+]CC1CCC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001675869325 1174158750 /nfs/dbraw/zinc/15/87/50/1174158750.db2.gz RGVHXFALLPVSNJ-DZGCQCFKSA-N 2 0 281.444 1.755 10 0 CDAERP CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001675903430 1174163617 /nfs/dbraw/zinc/16/36/17/1174163617.db2.gz MRRKBMXBKSMGSQ-MELADBBJSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)C[NH+]1CC([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001570853621 1170300234 /nfs/dbraw/zinc/30/02/34/1170300234.db2.gz FINPPBLGQGWJBO-LBPRGKRZSA-N 2 0 255.406 1.031 10 0 CDAERP CC(C)=CC[NH+]1CC([C@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001570854111 1170301316 /nfs/dbraw/zinc/30/13/16/1170301316.db2.gz PGTGLVPUKMQIRA-GJZGRUSLSA-N 2 0 293.455 1.731 10 0 CDAERP CCCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001571484277 1170449410 /nfs/dbraw/zinc/44/94/10/1170449410.db2.gz CHLHQNHDRUQXEY-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP CCCC[NH+](CCCC)C[C@@H]1OC(=O)CC12C[NH2+]C2 ZINC000675075288 539085334 /nfs/dbraw/zinc/08/53/34/539085334.db2.gz KQGFCNYUZDOONO-ZDUSSCGKSA-N 2 0 268.401 1.794 10 0 CDAERP COC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000600175274 341982999 /nfs/dbraw/zinc/98/29/99/341982999.db2.gz SUDLIELOUSCEEU-IJLUTSLNSA-N 2 0 254.374 1.400 10 0 CDAERP CC(C)C[NH2+]C[C@H](O)CO[C@@H]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000675079989 539085875 /nfs/dbraw/zinc/08/58/75/539085875.db2.gz KMDPRMMJNNVBMA-LXTVHRRPSA-N 2 0 270.417 1.140 10 0 CDAERP C[C@H](CNC(=O)N[C@H]1CCC[N@H+](C)C1)[NH+]1CCCC[C@H]1C ZINC000618555375 349482732 /nfs/dbraw/zinc/48/27/32/349482732.db2.gz WAKKPOPXGKRMOJ-KFWWJZLASA-N 2 0 296.459 1.643 10 0 CDAERP [NH3+]CC1(CC[NH2+]C2CCN(Cc3ccccn3)CC2)CC1 ZINC000650743989 398173265 /nfs/dbraw/zinc/17/32/65/398173265.db2.gz CZODLFGSAYEVGX-UHFFFAOYSA-N 2 0 288.439 1.765 10 0 CDAERP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@@H]1CCCc2c1ccc(=O)n2C ZINC000650725249 398165002 /nfs/dbraw/zinc/16/50/02/398165002.db2.gz WYZPUBJEZMIYQP-UMVBOHGHSA-N 2 0 289.423 1.883 10 0 CDAERP CCO[C@@H](C[N@@H+]1CC[C@H](CN2CCOCC2)C1)C1CC1 ZINC000625183558 342038557 /nfs/dbraw/zinc/03/85/57/342038557.db2.gz NCKDOUFZHQHCQJ-ZBFHGGJFSA-N 2 0 282.428 1.456 10 0 CDAERP O=C(NC[C@@H]1CCC[NH2+]C1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000247038840 295665421 /nfs/dbraw/zinc/66/54/21/295665421.db2.gz SQZHCORFOKYIMZ-MQYQWHSLSA-N 2 0 265.401 1.023 10 0 CDAERP C[C@@H]1C[C@]2(C[N@@H+]1Cc1ccccc1)OC[C@H](C[NH3+])O2 ZINC000307180274 365639165 /nfs/dbraw/zinc/63/91/65/365639165.db2.gz LJGZHFWNKGXKED-SNPRPXQTSA-N 2 0 262.353 1.351 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CC1 ZINC000617008201 342604916 /nfs/dbraw/zinc/60/49/16/342604916.db2.gz DJGTVKDMURXAJC-UONOGXRCSA-N 2 0 279.428 1.602 10 0 CDAERP C[NH2+][C@@H](C)Cc1noc(CSC2CC[NH2+]CC2)n1 ZINC000592355454 342685138 /nfs/dbraw/zinc/68/51/38/342685138.db2.gz IKZUKTPGJBTTLB-VIFPVBQESA-N 2 0 270.402 1.205 10 0 CDAERP CCOC(=O)CC[N@H+](CC1CC1)C[C@]1(C)CC[NH2+]C1 ZINC000592431363 342691775 /nfs/dbraw/zinc/69/17/75/342691775.db2.gz XJPMIQKABUMOQI-OAHLLOKOSA-N 2 0 268.401 1.651 10 0 CDAERP COC(=O)C(C)(C)[C@H]1CCC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000592429264 342694912 /nfs/dbraw/zinc/69/49/12/342694912.db2.gz DFWWBVLOLJCXFS-BBRMVZONSA-N 2 0 282.428 1.897 10 0 CDAERP COC(=O)[C@@H](C)C[N@@H+](Cc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000592494361 342696659 /nfs/dbraw/zinc/69/66/59/342696659.db2.gz RIFAMNHUVUBDHU-HOCLYGCPSA-N 2 0 290.407 1.907 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000351670699 361854450 /nfs/dbraw/zinc/85/44/50/361854450.db2.gz JEPHGALRRDBLGH-ARFHVFGLSA-N 2 0 293.455 1.994 10 0 CDAERP C[C@@H](Cc1ccc(F)cc1)[NH2+]CC1([NH3+])CCOCC1 ZINC000629387206 361897802 /nfs/dbraw/zinc/89/78/02/361897802.db2.gz FROMXFQINTZZFH-LBPRGKRZSA-N 2 0 266.360 1.854 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)CC(=O)Nc1cccc(C)c1 ZINC000629391616 361917007 /nfs/dbraw/zinc/91/70/07/361917007.db2.gz BRPKWOJEURHIHZ-AWEZNQCLSA-N 2 0 293.411 1.538 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H]1CCc2ccc(OC)cc2C1 ZINC000629391784 361918644 /nfs/dbraw/zinc/91/86/44/361918644.db2.gz DJKMKELBCDJFRG-OAHLLOKOSA-N 2 0 278.396 1.378 10 0 CDAERP C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]CCOCCC[NH3+])C1 ZINC000629399514 361935739 /nfs/dbraw/zinc/93/57/39/361935739.db2.gz SOONDOQGMSNLKV-DOTOQJQBSA-N 2 0 291.439 1.777 10 0 CDAERP COC(=O)c1coc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000594611573 342927114 /nfs/dbraw/zinc/92/71/14/342927114.db2.gz AFIVFYHWJRFXBB-KLPPZKSPSA-N 2 0 266.341 1.496 10 0 CDAERP O=C([C@H]1C[C@H](F)C[NH2+]1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000188967231 342280427 /nfs/dbraw/zinc/28/04/27/342280427.db2.gz MHUBCQQSAHSHAE-DDHJSBNISA-N 2 0 295.402 1.162 10 0 CDAERP C[C@H](CSCCF)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000595007262 342989724 /nfs/dbraw/zinc/98/97/24/342989724.db2.gz LMGPTWHRZSBZBF-CYBMUJFWSA-N 2 0 291.480 1.693 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCCn1cncn1 ZINC000628213531 362109093 /nfs/dbraw/zinc/10/90/93/362109093.db2.gz NNLMPJVWCDOWFU-UHFFFAOYSA-N 2 0 297.366 1.347 10 0 CDAERP CC(C)[NH+](CCNc1nc(N)[nH+]c2c1CCCC2)C(C)C ZINC000645095739 362115581 /nfs/dbraw/zinc/11/55/81/362115581.db2.gz PSUDZHHYAJCDNR-UHFFFAOYSA-N 2 0 291.443 1.721 10 0 CDAERP CCCC[NH+]1CCC(N[C@H]2C[NH2+]C[C@H](C)C2)CC1 ZINC000401717150 412500941 /nfs/dbraw/zinc/50/09/41/412500941.db2.gz YQQRCUDFUNCPKN-UKRRQHHQSA-N 2 0 253.434 1.839 10 0 CDAERP COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000595894645 343182836 /nfs/dbraw/zinc/18/28/36/343182836.db2.gz YACBAAMFFOXOEE-HNNXBMFYSA-N 2 0 288.391 1.860 10 0 CDAERP CCO[C@H]1C[C@@H]([NH2+]CC2([NH3+])CCOCC2)C12CCCC2 ZINC000629522950 362142987 /nfs/dbraw/zinc/14/29/87/362142987.db2.gz CPWCZAZMNXBNPF-KGLIPLIRSA-N 2 0 282.428 1.822 10 0 CDAERP CCC(CC)[C@@H](CNC(=O)CC[C@@H](C)[NH3+])[NH+]1CCOCC1 ZINC000193294559 282235779 /nfs/dbraw/zinc/23/57/79/282235779.db2.gz YWOCHFZCMQBSHO-UKRRQHHQSA-N 2 0 299.459 1.367 10 0 CDAERP COC(=O)Cc1ccnc(N(C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000596127773 343237664 /nfs/dbraw/zinc/23/76/64/343237664.db2.gz ANMCZQMQVQLQOO-AWEZNQCLSA-N 2 0 291.395 1.575 10 0 CDAERP CCOc1ccccc1[C@@H](C)[NH2+]CCOCC[NH2+]C ZINC000629528945 362155528 /nfs/dbraw/zinc/15/55/28/362155528.db2.gz NSVPPLGODIAGDI-CYBMUJFWSA-N 2 0 266.385 1.972 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)Cc1ccccc1F ZINC000629530340 362159165 /nfs/dbraw/zinc/15/91/65/362159165.db2.gz DBIAIDOSZOQCRC-LBPRGKRZSA-N 2 0 254.349 1.582 10 0 CDAERP CCCN(C(=O)NC[C@@H](C)[NH+](CC)CC)[C@H]1CC[N@H+](C)C1 ZINC000645160457 362190225 /nfs/dbraw/zinc/19/02/25/362190225.db2.gz MJMKDXVXTOJFGC-CABCVRRESA-N 2 0 298.475 1.842 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC000635628197 362211154 /nfs/dbraw/zinc/21/11/54/362211154.db2.gz ZBAYNHUNONPJDW-JHJVBQTASA-N 2 0 276.384 1.456 10 0 CDAERP CC[NH+]1CCC(NC(=O)C[N@H+](C[C@@H](C)OC)C(C)C)CC1 ZINC000354875662 365745221 /nfs/dbraw/zinc/74/52/21/365745221.db2.gz DMJYRWPANQUXQF-CQSZACIVSA-N 2 0 299.459 1.332 10 0 CDAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000262330673 344697902 /nfs/dbraw/zinc/69/79/02/344697902.db2.gz XXXAKLDJUCGSSW-IHRRRGAJSA-N 2 0 267.417 1.304 10 0 CDAERP CCN(C(=O)Cn1cnc2c1CCCC2)[C@@H]1CC[N@H+](C)C1 ZINC000617552156 345846006 /nfs/dbraw/zinc/84/60/06/345846006.db2.gz IALCAUABPCRBKG-CYBMUJFWSA-N 2 0 290.411 1.315 10 0 CDAERP CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)[C@@H]1CC[N@H+](C)C1 ZINC000617554531 345849396 /nfs/dbraw/zinc/84/93/96/345849396.db2.gz DSROUERJBZYMEC-HUUCEWRRSA-N 2 0 281.444 1.804 10 0 CDAERP CCC[NH2+][C@@H](CO)CCN1CC[C@H]([NH+](CC)CC)C1 ZINC000085213380 178977112 /nfs/dbraw/zinc/97/71/12/178977112.db2.gz JJPGEEYFGAOREK-CABCVRRESA-N 2 0 271.449 1.153 10 0 CDAERP CCOC1CC[NH+](CCCC[C@](C)(O)C[NH3+])CC1 ZINC000085300521 179010473 /nfs/dbraw/zinc/01/04/73/179010473.db2.gz SEBGPFBKAUJBLK-AWEZNQCLSA-N 2 0 258.406 1.367 10 0 CDAERP C[N@@H+]1CC[C@@H](N[C@@H]2CC[NH+](CC3CC3)C2)CC1(C)C ZINC000623410196 346249665 /nfs/dbraw/zinc/24/96/65/346249665.db2.gz GCJYTDVSNJIAHC-HUUCEWRRSA-N 2 0 265.445 1.933 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CCC[C@@H]1[NH3+])C[NH+]1CCCCC1 ZINC000085369676 179039654 /nfs/dbraw/zinc/03/96/54/179039654.db2.gz IJZNSIOBKVZKLN-IHRRRGAJSA-N 2 0 267.417 1.352 10 0 CDAERP CC[NH+]1CCC(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000085369716 179039827 /nfs/dbraw/zinc/03/98/27/179039827.db2.gz JBYIATSEFCEULD-CHWSQXEVSA-N 2 0 253.390 1.104 10 0 CDAERP CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000623418417 346348389 /nfs/dbraw/zinc/34/83/89/346348389.db2.gz QHCXGNCCLRDLGH-RYUDHWBXSA-N 2 0 276.446 1.272 10 0 CDAERP C[C@H](C(=O)N(C)C)[N@@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403665 179053412 /nfs/dbraw/zinc/05/34/12/179053412.db2.gz QQDOCHJVFYMURZ-UKRRQHHQSA-N 2 0 281.444 1.707 10 0 CDAERP O[C@@H](C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)COCc1ccco1 ZINC000037904683 346370987 /nfs/dbraw/zinc/37/09/87/346370987.db2.gz BQGIJIPPSNNDKO-HIFRSBDPSA-N 2 0 294.395 1.231 10 0 CDAERP C[N@@H+]1CC[C@H](Cn2c3c(nc2C2CC2)C[NH2+]CC3)C1 ZINC000085570441 179096607 /nfs/dbraw/zinc/09/66/07/179096607.db2.gz QHUWMRQRHFWKPU-NSHDSACASA-N 2 0 260.385 1.358 10 0 CDAERP CC(C)Cc1nc2c(n1C[C@H](C)[NH+](C)C)CC[NH2+]C2 ZINC000085573126 179098054 /nfs/dbraw/zinc/09/80/54/179098054.db2.gz LHGVDXSTINZZOH-LBPRGKRZSA-N 2 0 264.417 1.677 10 0 CDAERP CCc1nc2c(n1C[C@H](C)[NH+]1CCCCC1)CC[NH2+]C2 ZINC000085573440 179098175 /nfs/dbraw/zinc/09/81/75/179098175.db2.gz ADWCHFMBYRUCDV-ZDUSSCGKSA-N 2 0 276.428 1.966 10 0 CDAERP COCCOCC[N@@H+]1CCC[NH2+][C@@](C)(C2CC2)C1 ZINC000085613207 179102304 /nfs/dbraw/zinc/10/23/04/179102304.db2.gz URHWRXRZERISHS-CQSZACIVSA-N 2 0 256.390 1.113 10 0 CDAERP CC1(C)[C@H]([NH2+]CCC[NH+]2CCCC2)[C@H]2CCO[C@@H]21 ZINC000085630468 179107773 /nfs/dbraw/zinc/10/77/73/179107773.db2.gz PUNHHFRGLOOJKB-MCIONIFRSA-N 2 0 252.402 1.875 10 0 CDAERP c1ccc([C@@H]2CN([C@@H]3C[NH+]4CCC3CC4)CC[NH2+]2)cc1 ZINC000086124907 179235272 /nfs/dbraw/zinc/23/52/72/179235272.db2.gz PXPAYBNSBBFILN-DLBZAZTESA-N 2 0 271.408 1.727 10 0 CDAERP C[NH+](C)CCCC[N@@H+]1CCN[C@@H](c2ccccc2)C1 ZINC000086146711 179238945 /nfs/dbraw/zinc/23/89/45/179238945.db2.gz KNLKWMSRALMADY-MRXNPFEDSA-N 2 0 261.413 1.975 10 0 CDAERP CC[C@H]1C[NH2+][C@H](C2CC2)CN1C[C@@H]1CCCC[N@@H+]1C ZINC000086259336 179258676 /nfs/dbraw/zinc/25/86/76/179258676.db2.gz RTMPJYOBKDSZTN-JYJNAYRXSA-N 2 0 265.445 1.933 10 0 CDAERP CCCC[N@H+](C)CC1CCN(C(=O)NC/C=C\C[NH3+])CC1 ZINC000641865660 365950472 /nfs/dbraw/zinc/95/04/72/365950472.db2.gz ZURBLVQZPPQNJK-WAYWQWQTSA-N 2 0 296.459 1.655 10 0 CDAERP C[C@@H](O)CC[N@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000450776299 362904209 /nfs/dbraw/zinc/90/42/09/362904209.db2.gz HKCBLBVXIZYLLW-NVXWUHKLSA-N 2 0 292.423 1.326 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000252571647 348422395 /nfs/dbraw/zinc/42/23/95/348422395.db2.gz BPZYNFNXVUHKHN-KGLIPLIRSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000068299086 349060776 /nfs/dbraw/zinc/06/07/76/349060776.db2.gz BPPCPUBZVIHRSW-ZDUSSCGKSA-N 2 0 279.428 1.604 10 0 CDAERP CN1C(=O)c2ccccc2[C@@H]1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000629537901 362953622 /nfs/dbraw/zinc/95/36/22/362953622.db2.gz MXMMDUMOENEZOL-CFAJVAMVSA-N 2 0 299.418 1.791 10 0 CDAERP COc1ccccc1[C@@H](C)[NH2+]CCOCCC[NH3+] ZINC000629539499 362956888 /nfs/dbraw/zinc/95/68/88/362956888.db2.gz MOOOVJUVONZTSV-GFCCVEGCSA-N 2 0 252.358 1.711 10 0 CDAERP Cc1ncc([C@H](C)[NH2+]CCOCCC[NH3+])c(C)n1 ZINC000629541540 362964929 /nfs/dbraw/zinc/96/49/29/362964929.db2.gz QLAWZAVYUOVJJN-JTQLQIEISA-N 2 0 252.362 1.109 10 0 CDAERP COc1ccsc1[C@H](C)[NH2+]CCOCCC[NH3+] ZINC000629541041 362963904 /nfs/dbraw/zinc/96/39/04/362963904.db2.gz WWOGDYPPGVEIIY-JTQLQIEISA-N 2 0 258.387 1.773 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621668280 350703933 /nfs/dbraw/zinc/70/39/33/350703933.db2.gz ACVMJMSJHUDECZ-CHWSQXEVSA-N 2 0 255.406 1.256 10 0 CDAERP CCn1nccc1CC[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000621776240 350772773 /nfs/dbraw/zinc/77/27/73/350772773.db2.gz GQYMSKSPGKIYFI-ZFWWWQNUSA-N 2 0 264.417 1.895 10 0 CDAERP CCn1nccc1CC[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000621776567 350773199 /nfs/dbraw/zinc/77/31/99/350773199.db2.gz OTTYWCRMKISNHY-QWHCGFSZSA-N 2 0 250.390 1.362 10 0 CDAERP FC1(F)C[C@@H]1CC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000622044211 350948935 /nfs/dbraw/zinc/94/89/35/350948935.db2.gz YQGTWZTZIOGHHT-WUHRBBMRSA-N 2 0 274.355 1.778 10 0 CDAERP COCCN1CCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000623886339 351318510 /nfs/dbraw/zinc/31/85/10/351318510.db2.gz ZFJAIROKBCCPGH-ZNMIVQPWSA-N 2 0 270.417 1.644 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)[C@@H]1CCc2ccccc2NC1=O ZINC000629571783 363026615 /nfs/dbraw/zinc/02/66/15/363026615.db2.gz JCSXRXGNASHJEU-OAHLLOKOSA-N 2 0 291.395 1.108 10 0 CDAERP O=C(NCc1cn2c(n1)CCCC2)N[C@@H]1CCCC[NH2+]C1 ZINC000333579588 363042706 /nfs/dbraw/zinc/04/27/06/363042706.db2.gz NMZDYEAYANBUHD-GFCCVEGCSA-N 2 0 291.399 1.161 10 0 CDAERP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cn[nH]c3)cc2)CC1 ZINC000624214945 351487416 /nfs/dbraw/zinc/48/74/16/351487416.db2.gz KXONCJXMEDMPCK-UHFFFAOYSA-N 2 0 299.422 1.447 10 0 CDAERP Cc1noc([C@@H]2OCC[C@@H]2[NH2+]CC[C@@H]2CCC[NH2+]C2)n1 ZINC000629590432 363059240 /nfs/dbraw/zinc/05/92/40/363059240.db2.gz ZRZVZRDQFBDEAL-RWMBFGLXSA-N 2 0 280.372 1.187 10 0 CDAERP C[C@@H](CC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+])[C@H]1CCC[NH2+]C1 ZINC000261748116 295827341 /nfs/dbraw/zinc/82/73/41/295827341.db2.gz IVDMHEXPWJLMQB-CBBWQLFWSA-N 2 0 281.444 1.598 10 0 CDAERP C[NH+](C)CC1(CNC(=O)N[C@@H]2CCCC[NH2+]C2)CCCC1 ZINC000333809787 363165102 /nfs/dbraw/zinc/16/51/02/363165102.db2.gz PKAHEIGBZIBZIR-CQSZACIVSA-N 2 0 296.459 1.550 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1c[nH]nc1C(C)(C)C ZINC000629652578 363251818 /nfs/dbraw/zinc/25/18/18/363251818.db2.gz IDDHOBZJCRHXDE-UHFFFAOYSA-N 2 0 268.405 1.375 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCCC[C@H]2CC[NH3+])CC[NH2+]1 ZINC000566250854 370660895 /nfs/dbraw/zinc/66/08/95/370660895.db2.gz FIOGMGKRYUKFTH-AVGNSLFASA-N 2 0 253.390 1.104 10 0 CDAERP C[C@H](C[NH2+]CC1([NH3+])CCOCC1)Cc1ccccc1 ZINC000629653936 363255101 /nfs/dbraw/zinc/25/51/01/363255101.db2.gz KFNXQGKAYMUYRB-AWEZNQCLSA-N 2 0 262.397 1.963 10 0 CDAERP CC(=O)[C@@](C)(O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000570037360 363308913 /nfs/dbraw/zinc/30/89/13/363308913.db2.gz RUODTUQEQZWDGJ-HNNXBMFYSA-N 2 0 270.417 1.379 10 0 CDAERP Cc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCCN(C)C2)c(C)c1 ZINC000644548232 366165713 /nfs/dbraw/zinc/16/57/13/366165713.db2.gz VVLXRUQRPVWCNK-HOTGVXAUSA-N 2 0 292.423 1.727 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+][C@@H]1Cc2ccccc2N(C)C1=O ZINC000665237060 412607015 /nfs/dbraw/zinc/60/70/15/412607015.db2.gz ZFWCIJPBVJWWEG-TZMCWYRMSA-N 2 0 275.396 1.681 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(C(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000634765539 358498839 /nfs/dbraw/zinc/49/88/39/358498839.db2.gz VQIUNYDJQRRMJN-DZKIICNBSA-N 2 0 279.428 1.319 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2(CO)CCOCC2)[C@H]2CCC[C@H]21 ZINC000375863217 283133963 /nfs/dbraw/zinc/13/39/63/283133963.db2.gz WATYIJDTRVOKIJ-QLFBSQMISA-N 2 0 282.428 1.238 10 0 CDAERP CO[C@H](C)C[N@H+](C[C@H](O)C[NH+](C)C(C)C)C(C)C ZINC000659945823 412626962 /nfs/dbraw/zinc/62/69/62/412626962.db2.gz CRONNFHWXUKCRJ-ZIAGYGMSSA-N 2 0 260.422 1.433 10 0 CDAERP C[N@@H+]1CC[C@]2(CCN(CC[C@@H]3CCCC[NH+]3C)C2)C1 ZINC000368352882 283170337 /nfs/dbraw/zinc/17/03/37/283170337.db2.gz YNHXHSUPQHTIHK-HOTGVXAUSA-N 2 0 265.445 1.888 10 0 CDAERP C[C@@H]1CN(C(=O)Nc2cccc(C[NH3+])c2)C[C@H]1[NH+](C)C ZINC000124472125 538451020 /nfs/dbraw/zinc/45/10/20/538451020.db2.gz DATATXVDZXSSJL-BXUZGUMPSA-N 2 0 276.384 1.559 10 0 CDAERP O=C([C@@H]1C[C@]12CCC[NH2+]C2)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000655450284 538476455 /nfs/dbraw/zinc/47/64/55/538476455.db2.gz IWBZTJPXPNDODW-AESZEHBQSA-N 2 0 291.439 1.367 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000634684942 356768594 /nfs/dbraw/zinc/76/85/94/356768594.db2.gz CKWKUVCTDGLAIL-GJZGRUSLSA-N 2 0 285.476 1.806 10 0 CDAERP C[C@H]([NH3+])CCC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000070317050 356883537 /nfs/dbraw/zinc/88/35/37/356883537.db2.gz OFAXMHGWCOQRSV-ZDUSSCGKSA-N 2 0 269.433 1.885 10 0 CDAERP CC(C)OC[C@H](O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000070194918 356865648 /nfs/dbraw/zinc/86/56/48/356865648.db2.gz MSTHRHFQMIKFIH-MRXNPFEDSA-N 2 0 284.444 1.580 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1CCC[C@H]([NH3+])C1)C1CCCC1 ZINC000071378485 356914939 /nfs/dbraw/zinc/91/49/39/356914939.db2.gz LDCSPQJBAXULIK-STQMWFEESA-N 2 0 267.417 1.495 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(N)=O)cc2)[C@H](C)C1 ZINC000081095186 358114960 /nfs/dbraw/zinc/11/49/60/358114960.db2.gz FOBJKPVPCFGJAF-CZUORRHYSA-N 2 0 289.423 1.948 10 0 CDAERP CC[C@@H]([NH2+]CCC1(C[NH3+])CC1)C1(C(=O)OC)CCC1 ZINC000593318699 358611493 /nfs/dbraw/zinc/61/14/93/358611493.db2.gz FMPXSNUJZZBXQW-GFCCVEGCSA-N 2 0 268.401 1.827 10 0 CDAERP CC(C)OC[C@@H](O)C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000062071518 358800489 /nfs/dbraw/zinc/80/04/89/358800489.db2.gz WVJZFEJCZNAGFV-KGLIPLIRSA-N 2 0 258.406 1.094 10 0 CDAERP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000236901376 358949432 /nfs/dbraw/zinc/94/94/32/358949432.db2.gz ROZATAWDNCTRAL-SOUVJXGZSA-N 2 0 281.444 1.694 10 0 CDAERP CC[N@@H+]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000335206134 359042387 /nfs/dbraw/zinc/04/23/87/359042387.db2.gz VMQVDNPPXOEGJT-CYBMUJFWSA-N 2 0 267.417 1.271 10 0 CDAERP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCC2(CC[NH2+]2)CC1 ZINC000335228264 359069380 /nfs/dbraw/zinc/06/93/80/359069380.db2.gz UAUIIHBYSWISSD-ZIAGYGMSSA-N 2 0 292.427 1.151 10 0 CDAERP CC(=O)NCCN(Cc1ccsc1)C[C@]1(C)CC[NH2+]C1 ZINC000261920030 359089595 /nfs/dbraw/zinc/08/95/95/359089595.db2.gz BMPKWYOSFZTPER-OAHLLOKOSA-N 2 0 295.452 1.686 10 0 CDAERP C[C@]1(CN2CC[C@H](C[NH+]3CCCC3)C2)CC[NH2+]C1 ZINC000261992723 359117161 /nfs/dbraw/zinc/11/71/61/359117161.db2.gz KKEJOZVAIYHODI-CABCVRRESA-N 2 0 251.418 1.404 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC1 ZINC000262481816 359173195 /nfs/dbraw/zinc/17/31/95/359173195.db2.gz ZOKVCYJCNZDFGY-XJKSGUPXSA-N 2 0 279.428 1.319 10 0 CDAERP C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000347714363 359543069 /nfs/dbraw/zinc/54/30/69/359543069.db2.gz DSOUSSWJHSMGIB-BBRMVZONSA-N 2 0 261.413 1.788 10 0 CDAERP C[NH+]1CCC(CC(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC000297013214 200061538 /nfs/dbraw/zinc/06/15/38/200061538.db2.gz ATLJQPUXQOWZBT-UHFFFAOYSA-N 2 0 286.379 1.682 10 0 CDAERP C[C@@H]1C[C@H]([N@H+](C)CCc2cnn(C)c2)CCN1C ZINC000336708719 359751812 /nfs/dbraw/zinc/75/18/12/359751812.db2.gz LMXNHFORCGZHQV-TZMCWYRMSA-N 2 0 250.390 1.377 10 0 CDAERP CC[C@H]1CCC[C@@H]1[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000348158810 359863440 /nfs/dbraw/zinc/86/34/40/359863440.db2.gz IIGLZUPIYMJBKZ-BBRMVZONSA-N 2 0 293.455 1.898 10 0 CDAERP C[C@@H]1C[N@@H+](C2CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC2)CCO1 ZINC000237500190 359864360 /nfs/dbraw/zinc/86/43/60/359864360.db2.gz CKFLJHAAQKYMBR-TZMCWYRMSA-N 2 0 297.443 1.072 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000348154650 359859136 /nfs/dbraw/zinc/85/91/36/359859136.db2.gz AUCHOPZSWFSFFH-JKSUJKDBSA-N 2 0 293.455 1.805 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C[C@@H](O)C[NH+](C)C2CC2)[C@@H](C)C1 ZINC000336841753 359908568 /nfs/dbraw/zinc/90/85/68/359908568.db2.gz SHKPSJSKHOXNEV-BPUTZDHNSA-N 2 0 283.460 1.104 10 0 CDAERP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CCOCC[NH+](C)C)C[C@H]2C1 ZINC000424278292 359988830 /nfs/dbraw/zinc/98/88/30/359988830.db2.gz ICQGOPMEEYHGQC-NMWPEEMBSA-N 2 0 270.417 1.358 10 0 CDAERP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@@]2(C)CCCS2)CC1 ZINC000380919997 360158376 /nfs/dbraw/zinc/15/83/76/360158376.db2.gz LMSSDNZIWDUTFY-OAHLLOKOSA-N 2 0 285.501 1.888 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH2+]CCc2nc(C)no2)[C@H](C)C1 ZINC000089517845 360180759 /nfs/dbraw/zinc/18/07/59/360180759.db2.gz KLPIQSVRRIAFSH-ZYHUDNBSSA-N 2 0 252.362 1.240 10 0 CDAERP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000335494589 360264842 /nfs/dbraw/zinc/26/48/42/360264842.db2.gz AQOBWQOLBLYRCP-ZIAGYGMSSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCC[NH+]1CCC1 ZINC000337706273 360359935 /nfs/dbraw/zinc/35/99/35/360359935.db2.gz XVFFHGYEDMSTBA-OKILXGFUSA-N 2 0 282.432 1.254 10 0 CDAERP COC(=O)[C@@H](C)C[N@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000515491270 360507482 /nfs/dbraw/zinc/50/74/82/360507482.db2.gz ZSFIGRUGYBEKFY-LBPRGKRZSA-N 2 0 276.380 1.573 10 0 CDAERP [NH3+][C@H]1CCC[C@H](C(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000262181451 360550454 /nfs/dbraw/zinc/55/04/54/360550454.db2.gz ITDOSHGOCAGQNE-STQMWFEESA-N 2 0 265.401 1.201 10 0 CDAERP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000335608798 360586967 /nfs/dbraw/zinc/58/69/67/360586967.db2.gz JNGRMRJABRMEMJ-OCCSQVGLSA-N 2 0 276.428 1.777 10 0 CDAERP O=C([C@@H]1Cc2ccccc2C[NH2+]1)N1CCC2(CC[NH2+]2)CC1 ZINC000335632991 360611776 /nfs/dbraw/zinc/61/17/76/360611776.db2.gz VEWCLAQCRMOJHN-HNNXBMFYSA-N 2 0 285.391 1.055 10 0 CDAERP CC1CC[NH+](CCNC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000626935029 360654182 /nfs/dbraw/zinc/65/41/82/360654182.db2.gz VIFFYNKGEPOLBA-KGLIPLIRSA-N 2 0 282.432 1.158 10 0 CDAERP C[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)[C@H]1CCC[NH2+]C1 ZINC000635010491 360654371 /nfs/dbraw/zinc/65/43/71/360654371.db2.gz MOMIDRXHMSDWPF-KBPBESRZSA-N 3 0 273.424 1.810 10 0 CDAERP C[C@H]1C[C@H](O)C[N@@H+]1Cc1cc(-n2ccnc2)cs1 ZINC000335726574 360853390 /nfs/dbraw/zinc/85/33/90/360853390.db2.gz SIHYVIMXJKUQSE-JQWIXIFHSA-N 2 0 263.366 1.889 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000335832623 360971629 /nfs/dbraw/zinc/97/16/29/360971629.db2.gz UXDZQZKVHMBDMA-OAHLLOKOSA-N 2 0 293.455 1.853 10 0 CDAERP CCN1CC[C@H]([N@H+](C)C[C@@H]2CCS(=O)(=O)C2)[C@H](C)C1 ZINC000434481810 361330308 /nfs/dbraw/zinc/33/03/08/361330308.db2.gz HXLYFIKEVOPXGA-RDBSUJKOSA-N 2 0 288.457 1.083 10 0 CDAERP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)C(C)(C)C)CC[C@H]21 ZINC000167627653 363968511 /nfs/dbraw/zinc/96/85/11/363968511.db2.gz XAHRWOFQEHTWDH-MCIONIFRSA-N 2 0 254.418 1.810 10 0 CDAERP C[NH+](C)C1CCC(Nc2nc(N)[nH+]c3c2CCCC3)CC1 ZINC000645261001 364048064 /nfs/dbraw/zinc/04/80/64/364048064.db2.gz LBABJDZCCGNGKD-UHFFFAOYSA-N 2 0 289.427 1.475 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000457708776 364101724 /nfs/dbraw/zinc/10/17/24/364101724.db2.gz MDMJXXGDPRICRN-HUUCEWRRSA-N 2 0 298.475 1.748 10 0 CDAERP COc1ccc(F)c(C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)c1 ZINC000293717190 370764756 /nfs/dbraw/zinc/76/47/56/370764756.db2.gz YEQVFTBWJMXXIX-CYBMUJFWSA-N 2 0 295.402 1.560 10 0 CDAERP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CCC[C@@H](O)C3)CC[C@H]21 ZINC000381715418 482896281 /nfs/dbraw/zinc/89/62/81/482896281.db2.gz KDDZXIYTBWKOFK-KLHDSHLOSA-N 2 0 266.429 1.954 10 0 CDAERP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)[C@H]1C[C@H]1C ZINC000414122020 241076359 /nfs/dbraw/zinc/07/63/59/241076359.db2.gz NRKBZFGHGNPERI-TUVASFSCSA-N 2 0 254.418 1.857 10 0 CDAERP COc1cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc2c1OCCO2 ZINC000414834031 367093896 /nfs/dbraw/zinc/09/38/96/367093896.db2.gz SJCDLIYVSQCKJD-GFCCVEGCSA-N 2 0 292.379 1.556 10 0 CDAERP CC(C)CN(C(=O)C[N@@H+]1CC[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000516783250 367183484 /nfs/dbraw/zinc/18/34/84/367183484.db2.gz CJHRGCXEJSQDNV-HNNXBMFYSA-N 2 0 295.471 1.907 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)C[NH2+]1 ZINC000627019596 367243214 /nfs/dbraw/zinc/24/32/14/367243214.db2.gz JEKRJQQAMVUBDK-KGLIPLIRSA-N 2 0 296.459 1.548 10 0 CDAERP Cc1cc(-n2ccnc2)ccc1C[NH+]1CCN(C)CC1 ZINC000191917468 367316744 /nfs/dbraw/zinc/31/67/44/367316744.db2.gz MWZBBLZBAASJAA-UHFFFAOYSA-N 2 0 270.380 1.928 10 0 CDAERP C[NH2+]C(C)(C)CNC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415975002 241818707 /nfs/dbraw/zinc/81/87/07/241818707.db2.gz LSNXGUISZYRDHE-UHFFFAOYSA-N 2 0 250.346 1.265 10 0 CDAERP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627117755 367481835 /nfs/dbraw/zinc/48/18/35/367481835.db2.gz WQGKEJDQNRBJCW-KKUMJFAQSA-N 2 0 296.459 1.547 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCC1([NH+](C)C)CCCC1 ZINC000416827048 242172494 /nfs/dbraw/zinc/17/24/94/242172494.db2.gz NGANNBPPRCTDCH-CHWSQXEVSA-N 2 0 282.432 1.158 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000234726763 367620247 /nfs/dbraw/zinc/62/02/47/367620247.db2.gz UHTSQCQIPGIXBA-LSDHHAIUSA-N 3 0 271.449 1.452 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000417012877 242269510 /nfs/dbraw/zinc/26/95/10/242269510.db2.gz XVFYLIUNZZUNCK-YNEHKIRRSA-N 2 0 270.421 1.014 10 0 CDAERP C[C@H](CNC(=O)N1CC[C@H]([NH3+])[C@@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000417016614 242270869 /nfs/dbraw/zinc/27/08/69/242270869.db2.gz ODCNOZVLHPEWKL-MQYQWHSLSA-N 2 0 282.432 1.238 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000417046167 242290103 /nfs/dbraw/zinc/29/01/03/242290103.db2.gz PABOHBACTKFUSV-ILXRZTDVSA-N 2 0 296.459 1.772 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000417210910 242358179 /nfs/dbraw/zinc/35/81/79/242358179.db2.gz FJUITDSGQBAKNL-BHPKHCPMSA-N 2 0 284.448 1.532 10 0 CDAERP CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627208266 367706040 /nfs/dbraw/zinc/70/60/40/367706040.db2.gz UKDHDCHNIVHLFH-HUUCEWRRSA-N 2 0 296.459 1.644 10 0 CDAERP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627203711 367697342 /nfs/dbraw/zinc/69/73/42/367697342.db2.gz PLMAIAGRRBUIRB-LSDHHAIUSA-N 2 0 296.459 1.644 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)N(C)CCC[NH+]2CCCC2)C[NH2+]1 ZINC000627203750 367697492 /nfs/dbraw/zinc/69/74/92/367697492.db2.gz QDESTZBIZQOCLG-ZIAGYGMSSA-N 2 0 282.432 1.254 10 0 CDAERP CCC[NH+]1CCC(NC(=O)C2=CC[C@H]([NH3+])C2)CC1 ZINC000638053440 367855958 /nfs/dbraw/zinc/85/59/58/367855958.db2.gz APQDKTZGGZZDJM-LBPRGKRZSA-N 2 0 251.374 1.025 10 0 CDAERP COc1ccccc1/C=C/C[NH2+]CCN1CC[NH2+]CC1 ZINC000414862252 367819294 /nfs/dbraw/zinc/81/92/94/367819294.db2.gz HCJBDIAGSMMWMS-GQCTYLIASA-N 2 0 275.396 1.203 10 0 CDAERP COc1cc(C)nc(CN[C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000414861379 367825834 /nfs/dbraw/zinc/82/58/34/367825834.db2.gz WMNLRMDLTBEFPP-STQMWFEESA-N 2 0 263.385 1.876 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H]2CCC[NH2+]C2)cc1 ZINC000418384502 243011645 /nfs/dbraw/zinc/01/16/45/243011645.db2.gz OVDGTTIUOPBXDP-FZMZJTMJSA-N 2 0 276.384 1.258 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)NC2CCC([NH3+])CC2)cc1 ZINC000418391430 243020402 /nfs/dbraw/zinc/02/04/02/243020402.db2.gz UZGFHMNXKXDESG-QGLTVNCISA-N 2 0 290.411 1.775 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC([NH3+])(CC)CC)[C@@H](C)C1 ZINC000418422154 243057280 /nfs/dbraw/zinc/05/72/80/243057280.db2.gz CLYIJQFACTVAHH-KBPBESRZSA-N 2 0 298.475 1.876 10 0 CDAERP C[NH+](C)CC(C)(C)NC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418453748 243096865 /nfs/dbraw/zinc/09/68/65/243096865.db2.gz PMAOHZUYEAJVNU-CYBMUJFWSA-N 2 0 278.400 1.326 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000418548088 243201884 /nfs/dbraw/zinc/20/18/84/243201884.db2.gz JQDFVZYROLYOTP-KFWWJZLASA-N 2 0 294.443 1.112 10 0 CDAERP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418553264 243205619 /nfs/dbraw/zinc/20/56/19/243205619.db2.gz STGDPDJPMRRFDJ-MJBXVCDLSA-N 2 0 282.432 1.110 10 0 CDAERP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000250834294 284052172 /nfs/dbraw/zinc/05/21/72/284052172.db2.gz KHROXDQOEUOZJL-UXOAXIEHSA-N 2 0 277.412 1.260 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC[N@@H+]1C ZINC000418533342 243187407 /nfs/dbraw/zinc/18/74/07/243187407.db2.gz DKEQIVVODOGCJH-FMKPAKJESA-N 2 0 296.459 1.500 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)C[C@H]1C ZINC000418541379 243194785 /nfs/dbraw/zinc/19/47/85/243194785.db2.gz DTAVZLJAOCAOPM-APIJFGDWSA-N 2 0 296.459 1.499 10 0 CDAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000418569301 243223297 /nfs/dbraw/zinc/22/32/97/243223297.db2.gz HVZYKNCHHZFULT-DFKRWLTFSA-N 2 0 294.443 1.251 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638121896 368512589 /nfs/dbraw/zinc/51/25/89/368512589.db2.gz NKBYULCKHUCBCX-XBFCOCLRSA-N 2 0 263.385 1.119 10 0 CDAERP CC[NH2+][C@H](C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000638121227 368513867 /nfs/dbraw/zinc/51/38/67/368513867.db2.gz FJSUXRUTMTZZOQ-ODWCKFRGSA-N 2 0 253.390 1.116 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)NC(C)(C)CCC[NH+](C)C ZINC000418696282 243347606 /nfs/dbraw/zinc/34/76/06/243347606.db2.gz KPPAPOASQXCBJD-QWRGUYRKSA-N 2 0 258.410 1.142 10 0 CDAERP c1ccc(C[N@H+]2C[C@@H]3C[NH+]([C@H]4CCOC4)C[C@@H]3C2)cc1 ZINC000286267937 368756000 /nfs/dbraw/zinc/75/60/00/368756000.db2.gz TWTSOROBLKQFDK-BBWFWOEESA-N 2 0 272.392 1.839 10 0 CDAERP C[C@H](NC(=O)N(C)CCC[NH+](C)C)C1=CC[N@H+](C)CC1 ZINC000542758697 368816749 /nfs/dbraw/zinc/81/67/49/368816749.db2.gz HPGRFEQQDODPAW-ZDUSSCGKSA-N 2 0 282.432 1.230 10 0 CDAERP C[C@H]1C[C@H](NC(=O)N(C)CCC[NH+](C)C)CC[N@@H+]1C ZINC000543674837 368946317 /nfs/dbraw/zinc/94/63/17/368946317.db2.gz LBEBCKWPDCNVKG-QWHCGFSZSA-N 2 0 270.421 1.062 10 0 CDAERP C[C@H]1C[C@@H](C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)CC[NH2+]1 ZINC000368009583 369321038 /nfs/dbraw/zinc/32/10/38/369321038.db2.gz OGLVDFUWEJTGPU-GUBZILKMSA-N 2 0 294.424 1.286 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCCCC2)CC[N@@H+]1C ZINC000630741961 369956191 /nfs/dbraw/zinc/95/61/91/369956191.db2.gz BSUBWGPTGLSLJQ-UONOGXRCSA-N 2 0 267.417 1.319 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000139493279 370080691 /nfs/dbraw/zinc/08/06/91/370080691.db2.gz WABXKIVOAQHOFI-AWEZNQCLSA-N 2 0 280.416 1.007 10 0 CDAERP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000250835264 370194157 /nfs/dbraw/zinc/19/41/57/370194157.db2.gz KQQRKMYSCOJYJC-QCODTGAPSA-N 2 0 291.439 1.650 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000418196860 370287373 /nfs/dbraw/zinc/28/73/73/370287373.db2.gz IKEXEOOTBKWAKR-ZNMIVQPWSA-N 2 0 296.459 1.500 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NCC[NH+](C)C2CCCC2)C1 ZINC000565183360 370374197 /nfs/dbraw/zinc/37/41/97/370374197.db2.gz WULVYYLXTQYNIK-ZDUSSCGKSA-N 2 0 267.417 1.319 10 0 CDAERP Cc1c(Cl)c(C[NH2+][C@@H](C)CCCC[NH3+])nn1C ZINC000422555682 245110959 /nfs/dbraw/zinc/11/09/59/245110959.db2.gz QTBMXNOWCHWDBE-VIFPVBQESA-N 2 0 258.797 1.989 10 0 CDAERP [NH3+]CC1(CC(=O)N2CCC(c3c[nH]cn3)CC2)CC1 ZINC000566190348 370639681 /nfs/dbraw/zinc/63/96/81/370639681.db2.gz SMUAGRZFYPDJRE-UHFFFAOYSA-N 2 0 262.357 1.245 10 0 CDAERP [NH3+]C[C@H]1CC[C@H](Cn2cc3c(n2)[C@H]([NH3+])CCC3)CC1 ZINC000566103409 370609999 /nfs/dbraw/zinc/60/99/99/370609999.db2.gz MSANIRFHQYBOQW-YRGRVCCFSA-N 2 0 262.401 1.984 10 0 CDAERP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000422733623 245192716 /nfs/dbraw/zinc/19/27/16/245192716.db2.gz BOVZGHUGKUYSCO-VNQPRFMTSA-N 2 0 262.397 1.568 10 0 CDAERP COc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1F ZINC000414960478 371075480 /nfs/dbraw/zinc/07/54/80/371075480.db2.gz QVNYJDYSTYDTDY-GWCFXTLKSA-N 2 0 252.333 1.922 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCN1c2ccccc2C[C@@H]1C ZINC000422765868 245230229 /nfs/dbraw/zinc/23/02/29/245230229.db2.gz PMQSOLFJVIEQFX-HOCLYGCPSA-N 2 0 291.439 1.781 10 0 CDAERP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000422785330 245253152 /nfs/dbraw/zinc/25/31/52/245253152.db2.gz QVVAWKASOPJZDG-IIAWOOMASA-N 2 0 291.443 1.367 10 0 CDAERP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCc1ccc(-n2cccn2)cc1 ZINC000422818289 245295260 /nfs/dbraw/zinc/29/52/60/245295260.db2.gz FZXOZVPYHWCIBD-HOTGVXAUSA-N 2 0 270.380 1.884 10 0 CDAERP CCC[C@@H](C)C[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414985495 371481812 /nfs/dbraw/zinc/48/18/12/371481812.db2.gz MWXRPGIXGMBIGH-VXGBXAGGSA-N 2 0 281.366 1.848 10 0 CDAERP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000573441937 371544080 /nfs/dbraw/zinc/54/40/80/371544080.db2.gz PUEHUVLNGYWQKY-ABXWRUBCSA-N 2 0 265.401 1.118 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)NCC[NH+](C)C(C)C)C1 ZINC000171164436 371715900 /nfs/dbraw/zinc/71/59/00/371715900.db2.gz DLXIUPVMFLQKCD-CYBMUJFWSA-N 2 0 270.421 1.110 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1nccn1CC ZINC000296565229 371820039 /nfs/dbraw/zinc/82/00/39/371820039.db2.gz GXZZFPQPUVJDPD-GFCCVEGCSA-N 2 0 281.404 1.433 10 0 CDAERP C[NH2+]CCCNC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000418316198 372093129 /nfs/dbraw/zinc/09/31/29/372093129.db2.gz ZHBMLCLWRBYTLL-UHFFFAOYSA-N 2 0 294.443 1.049 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC[NH+](C2CC2)CC1 ZINC000171076559 372166080 /nfs/dbraw/zinc/16/60/80/372166080.db2.gz KTRUKWPXEVHRBU-AWEZNQCLSA-N 2 0 296.459 1.596 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)Cn1cnc2c1CCCC2 ZINC000577993305 372207374 /nfs/dbraw/zinc/20/73/74/372207374.db2.gz ZWSYRWMKOSKITG-ZDUSSCGKSA-N 2 0 292.427 1.607 10 0 CDAERP CC(C)[NH+](CCNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)C(C)C ZINC000171897488 372208104 /nfs/dbraw/zinc/20/81/04/372208104.db2.gz TWSIQASRALKGOX-HNNXBMFYSA-N 2 0 296.459 1.595 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[C@H]([NH3+])C[C@H]1C ZINC000578202555 372344594 /nfs/dbraw/zinc/34/45/94/372344594.db2.gz WYNCGYGSNUYACD-DOMZBBRYSA-N 2 0 285.395 1.887 10 0 CDAERP CCOc1ncccc1C[NH2+][C@@H](CCC[NH3+])COC ZINC000422961169 245438907 /nfs/dbraw/zinc/43/89/07/245438907.db2.gz AYCWSBQQRFBTCD-ZDUSSCGKSA-N 2 0 267.373 1.324 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000333205102 205115494 /nfs/dbraw/zinc/11/54/94/205115494.db2.gz YTZNEGKBQKOORO-ZNMIVQPWSA-N 2 0 281.444 1.060 10 0 CDAERP [NH3+]C[C@@H](NC(=O)N1CCC2(CC[NH2+]2)CC1)C1CCCC1 ZINC000333246559 205150562 /nfs/dbraw/zinc/15/05/62/205150562.db2.gz FVOJWCFLFICJTC-CYBMUJFWSA-N 2 0 280.416 1.041 10 0 CDAERP C[NH+](C)C1CCC(NC(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000333282543 205183232 /nfs/dbraw/zinc/18/32/32/205183232.db2.gz MSVZUCKEFQSTKQ-ROKHWSDSSA-N 2 0 282.432 1.301 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)C1CC1 ZINC000340726065 373065174 /nfs/dbraw/zinc/06/51/74/373065174.db2.gz GFZFLSKRMQKKHJ-TZMCWYRMSA-N 2 0 267.417 1.460 10 0 CDAERP COCC[C@@H](CO)[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000341551762 373786137 /nfs/dbraw/zinc/78/61/37/373786137.db2.gz GCYALIQOIUYWLL-AWEZNQCLSA-N 2 0 290.367 1.063 10 0 CDAERP COc1ccc(CN2C[C@H](C)[C@@H](C[NH3+])C2)cc1F ZINC000631844575 373938067 /nfs/dbraw/zinc/93/80/67/373938067.db2.gz YGWYERKMISTWPR-JQWIXIFHSA-N 2 0 252.333 1.861 10 0 CDAERP CC(C)([NH3+])C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000040921543 374316710 /nfs/dbraw/zinc/31/67/10/374316710.db2.gz ZPTMQTPYQFNDQX-UHFFFAOYSA-N 2 0 261.369 1.958 10 0 CDAERP CC[NH2+][C@H](C)CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000418603514 374420567 /nfs/dbraw/zinc/42/05/67/374420567.db2.gz OSQKNYJWFGFIDO-FRRDWIJNSA-N 2 0 270.421 1.109 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)[C@H](C)C1 ZINC000418628462 374462757 /nfs/dbraw/zinc/46/27/57/374462757.db2.gz VLMXFXBUUHLWQB-BARDWOONSA-N 2 0 296.459 1.499 10 0 CDAERP Cc1cn2c(n1)C[C@H](C(=O)N(C)C[C@@H]1CCC[N@@H+]1C)CC2 ZINC000627796384 375688247 /nfs/dbraw/zinc/68/82/47/375688247.db2.gz QHMPGNBKIWEMJC-KGLIPLIRSA-N 2 0 290.411 1.307 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000417002306 375712383 /nfs/dbraw/zinc/71/23/83/375712383.db2.gz GDGXGZOKCIKEDX-HZSPNIEDSA-N 2 0 284.448 1.628 10 0 CDAERP C[N@@H+]1CC[C@H]2CN(C(=[NH2+])NCc3ccccc3)C[C@H]2C1 ZINC000306843451 375799911 /nfs/dbraw/zinc/79/99/11/375799911.db2.gz GJNBZAIOWMPYRU-LSDHHAIUSA-N 2 0 272.396 1.594 10 0 CDAERP [NH3+]CCCCC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000070202768 375835742 /nfs/dbraw/zinc/83/57/42/375835742.db2.gz RIPGDOWYIMZVET-UHFFFAOYSA-N 2 0 267.417 1.450 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000194660378 375946752 /nfs/dbraw/zinc/94/67/52/375946752.db2.gz QNXIAGDKGXWLOG-CQSZACIVSA-N 2 0 296.459 1.596 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)C[C@H]([NH3+])C(C)C)CC1 ZINC000638975284 376326076 /nfs/dbraw/zinc/32/60/76/376326076.db2.gz IYUFCJSUGXQMQM-ZDUSSCGKSA-N 2 0 269.433 1.693 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000246321491 376625939 /nfs/dbraw/zinc/62/59/39/376625939.db2.gz MYYHUTKHZGYSQY-RBSFLKMASA-N 2 0 298.475 1.698 10 0 CDAERP COc1ccc([C@H](C[NH3+])CN2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000631836548 376684360 /nfs/dbraw/zinc/68/43/60/376684360.db2.gz BHDBCNNQCXCEKU-BPLDGKMQSA-N 2 0 277.412 1.264 10 0 CDAERP CCN1CC[C@H]([N@H+](C)C[C@@H](C)CS(C)(=O)=O)[C@@H](C)C1 ZINC000246626752 376961446 /nfs/dbraw/zinc/96/14/46/376961446.db2.gz SMTDKQFMADLZBS-RDBSUJKOSA-N 2 0 290.473 1.329 10 0 CDAERP CC(C)n1cncc1CN1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000425368169 376969255 /nfs/dbraw/zinc/96/92/55/376969255.db2.gz JJWQOUYKQOJAEQ-OKILXGFUSA-N 2 0 280.416 1.351 10 0 CDAERP CC[N@H+](CCNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)C1CC1 ZINC000417436295 377101606 /nfs/dbraw/zinc/10/16/06/377101606.db2.gz ZTJKKVCWWRNSOR-MRXNPFEDSA-N 2 0 294.443 1.256 10 0 CDAERP CC[NH+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000247594423 377157027 /nfs/dbraw/zinc/15/70/27/377157027.db2.gz RXHUKYLESLBRHH-LSDHHAIUSA-N 2 0 296.459 1.644 10 0 CDAERP O[C@H](C[N@@H+]1CC[C@@H](CNc2ccccn2)C1)C(F)(F)F ZINC000248550919 377247528 /nfs/dbraw/zinc/24/75/28/377247528.db2.gz GMEPSJXPZPSDBW-WDEREUQCSA-N 2 0 289.301 1.739 10 0 CDAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000416794548 300000191 /nfs/dbraw/zinc/00/01/91/300000191.db2.gz PVGIFSBHPISESP-AAEUAGOBSA-N 2 0 296.459 1.593 10 0 CDAERP O=C(N[C@H]1CCCC[NH2+]C1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000334926557 377694595 /nfs/dbraw/zinc/69/45/95/377694595.db2.gz DWIMCLDNYGZKLG-UONOGXRCSA-N 2 0 280.416 1.008 10 0 CDAERP O=C(CC[N@@H+]1CCc2cccc(F)c2C1)N1CC[NH2+]CC1 ZINC000334967694 377742324 /nfs/dbraw/zinc/74/23/24/377742324.db2.gz JCMKIJGUCFGYBY-UHFFFAOYSA-N 2 0 291.370 1.006 10 0 CDAERP O=C(c1ccc2c(c1)C[NH2+]C2)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000632860051 377938182 /nfs/dbraw/zinc/93/81/82/377938182.db2.gz DXFNNDXZUFNVSQ-GDBMZVCRSA-N 2 0 285.391 1.504 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)NCC[N@H+](C)C(C)C)CC1 ZINC000632984421 378027181 /nfs/dbraw/zinc/02/71/81/378027181.db2.gz BCVFYLDBOKAAHL-UHFFFAOYSA-N 2 0 298.475 1.842 10 0 CDAERP CC(C)[C@H](O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662324253 412893513 /nfs/dbraw/zinc/89/35/13/412893513.db2.gz STHRLBPUCXGMDR-UONOGXRCSA-N 2 0 258.406 1.046 10 0 CDAERP CO[C@H](C[NH+]1CCC([NH2+]C(C)C)CC1)[C@@H]1CCOC1 ZINC000660063776 412901965 /nfs/dbraw/zinc/90/19/65/412901965.db2.gz HINYFEKCLJWBKM-UKRRQHHQSA-N 2 0 270.417 1.500 10 0 CDAERP CC[NH+]1CCC(CNC(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000054292199 483129993 /nfs/dbraw/zinc/12/99/93/483129993.db2.gz QIPWTGXOJDLWDC-CQSZACIVSA-N 2 0 267.417 1.224 10 0 CDAERP [NH3+]Cc1ccc(-c2noc([C@@H](F)[C@H]3CC[NH2+]C3)n2)cc1 ZINC000634558407 379672022 /nfs/dbraw/zinc/67/20/22/379672022.db2.gz XOHWBLPNLNWRPK-RYUDHWBXSA-N 2 0 276.315 1.815 10 0 CDAERP C[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657598109 412929120 /nfs/dbraw/zinc/92/91/20/412929120.db2.gz YIHGIVKGWYCBBG-JQFCIGGWSA-N 2 0 290.407 1.520 10 0 CDAERP C[C@@H](NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@H]1CCC[NH2+]C1 ZINC000655961871 412965415 /nfs/dbraw/zinc/96/54/15/412965415.db2.gz AZHDAJIYDKZFEH-MQYQWHSLSA-N 2 0 282.432 1.014 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H]2O)[C@@H](C)C1 ZINC000453391242 252309574 /nfs/dbraw/zinc/30/95/74/252309574.db2.gz SWSNAMILJUBXNX-LUKYLMHMSA-N 2 0 298.471 1.874 10 0 CDAERP Cc1nc(NCCC[NH+](C(C)C)C(C)C)nc(N(C)C)n1 ZINC000490081647 253028309 /nfs/dbraw/zinc/02/83/09/253028309.db2.gz ABRPMFFNEDWWIR-UHFFFAOYSA-N 2 0 294.447 1.589 10 0 CDAERP COC[C@@H](CC1CCOCC1)[NH2+]CCC[NH+](C)C ZINC000657818273 413044360 /nfs/dbraw/zinc/04/43/60/413044360.db2.gz RUUDKEPLQHJRJM-CQSZACIVSA-N 2 0 258.406 1.359 10 0 CDAERP CC1([NH3+])CCN(C(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000646991746 390344678 /nfs/dbraw/zinc/34/46/78/390344678.db2.gz MOUHNJFGJRFSNZ-QWHCGFSZSA-N 2 0 267.417 1.624 10 0 CDAERP O[C@H](C[NH2+]CC1([C@H]2CCCCO2)CCC1)C[NH+]1CCCC1 ZINC000634727789 390618669 /nfs/dbraw/zinc/61/86/69/390618669.db2.gz FMVARURROUKUSA-HZPDHXFCSA-N 2 0 296.455 1.772 10 0 CDAERP C[C@@]1(C[N@@H+]2CC[C@@]3(C2)c2ccccc2NC3=O)CC[NH2+]C1 ZINC000647538781 390687464 /nfs/dbraw/zinc/68/74/64/390687464.db2.gz HNEHJBBRHVHBGD-IAGOWNOFSA-N 2 0 285.391 1.582 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC23CC[NH2+]CC3)[C@@H](C)C1 ZINC000236827513 285391953 /nfs/dbraw/zinc/39/19/53/285391953.db2.gz NDOWNQCNCHVZFE-KKUMJFAQSA-N 2 0 293.455 1.565 10 0 CDAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3[NH2+]CCCC3(C)C)CC[C@@H]21 ZINC000261595870 390829124 /nfs/dbraw/zinc/82/91/24/390829124.db2.gz IKHWLDJFXFWTHL-QLFBSQMISA-N 2 0 293.455 1.707 10 0 CDAERP O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000648180722 390941007 /nfs/dbraw/zinc/94/10/07/390941007.db2.gz MPEBWNGKHLFZFW-YJNKXOJESA-N 2 0 291.439 1.698 10 0 CDAERP CSCCCC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000531118799 390915013 /nfs/dbraw/zinc/91/50/13/390915013.db2.gz BNKMKAKDQQLMPW-UHFFFAOYSA-N 2 0 275.462 1.081 10 0 CDAERP C[NH+](C)Cc1cc(CN[C@@H]2CC[NH2+]C2)ccc1F ZINC000415113821 391027319 /nfs/dbraw/zinc/02/73/19/391027319.db2.gz SRSYCCAYGMREKC-CYBMUJFWSA-N 2 0 251.349 1.339 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)NC[C@H](C)C[NH2+]C)CC1 ZINC000417753568 391032197 /nfs/dbraw/zinc/03/21/97/391032197.db2.gz UITOGXAIXYCDKZ-CYBMUJFWSA-N 2 0 284.448 1.263 10 0 CDAERP C[C@@H]1C[N@@H+]([C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@@]1(C)C[NH3+] ZINC000647547812 390995535 /nfs/dbraw/zinc/99/55/35/390995535.db2.gz GCQXKHQWYIEOSI-KJWHEZOQSA-N 3 0 251.418 1.291 10 0 CDAERP CC(C)C[C@@H]([NH3+])CN1CCc2ccccc2[C@@H]1C[NH3+] ZINC000647553052 391002277 /nfs/dbraw/zinc/00/22/77/391002277.db2.gz XJEUZTONSDFIBV-ZBFHGGJFSA-N 2 0 261.413 1.918 10 0 CDAERP CNC(=O)C(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000368620286 391036921 /nfs/dbraw/zinc/03/69/21/391036921.db2.gz XWBQIJJWSGFZKF-YNEHKIRRSA-N 2 0 267.417 1.221 10 0 CDAERP C[NH2+]CCCN(C)Cc1cnc2nc(C)cc(C)n12 ZINC000415134557 391047465 /nfs/dbraw/zinc/04/74/65/391047465.db2.gz OVUBYCSGBYDAQS-UHFFFAOYSA-N 2 0 261.373 1.387 10 0 CDAERP COC[C@H](C)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648071992 391089464 /nfs/dbraw/zinc/08/94/64/391089464.db2.gz FWCCVONGRUYDHE-CYBMUJFWSA-N 2 0 256.390 1.066 10 0 CDAERP Cc1cn2cc(NC(=O)[C@@H]3CCCN3C)ccc2n1 ZINC000264051651 391131236 /nfs/dbraw/zinc/13/12/36/391131236.db2.gz TTYDHRVBYXRJKC-LBPRGKRZSA-N 2 0 258.325 1.675 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)CN1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000647970728 391334455 /nfs/dbraw/zinc/33/44/55/391334455.db2.gz BYVIZFUFQCFLFR-KKUMJFAQSA-N 2 0 286.460 1.416 10 0 CDAERP CC(C)C[C@@H]([NH3+])CN1CCC[C@H]1C(=O)NC1CC1 ZINC000414669541 391336937 /nfs/dbraw/zinc/33/69/37/391336937.db2.gz BOURNKFJXULMGN-YPMHNXCESA-N 2 0 253.390 1.103 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)CC[N@@H+]1C ZINC000648104469 391337758 /nfs/dbraw/zinc/33/77/58/391337758.db2.gz AKPBHNHEEMULKG-LXTVHRRPSA-N 2 0 279.428 1.317 10 0 CDAERP C[C@@H](Nc1cnn(-c2cc[nH+]cc2)c1)[C@H]1CCC[NH2+]1 ZINC000643469461 391479860 /nfs/dbraw/zinc/47/98/60/391479860.db2.gz XIRDHHBKWHURKK-BXUZGUMPSA-N 2 0 257.341 1.820 10 0 CDAERP C[C@]1(F)C[NH2+]CCN(CCCC2CC[NH2+]CC2)C1 ZINC000647982035 391539256 /nfs/dbraw/zinc/53/92/56/391539256.db2.gz SPYUNRDNFQJGCM-AWEZNQCLSA-N 2 0 257.397 1.400 10 0 CDAERP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1=O ZINC000358195871 391542589 /nfs/dbraw/zinc/54/25/89/391542589.db2.gz CYAMLCSMNCHNMZ-KHMAMNHCSA-N 2 0 277.412 1.212 10 0 CDAERP c1nc(C2CC2)ncc1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647793725 391637190 /nfs/dbraw/zinc/63/71/90/391637190.db2.gz GEEQJEJRQAOLGQ-HRCADAONSA-N 2 0 286.423 1.874 10 0 CDAERP CO[C@H](CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(F)(F)F ZINC000647794719 391639681 /nfs/dbraw/zinc/63/96/81/391639681.db2.gz BPDBUNXLJMEXFD-WRWGMCAJSA-N 2 0 280.334 1.932 10 0 CDAERP C[C@H](CC[NH3+])NC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000417534065 391640813 /nfs/dbraw/zinc/64/08/13/391640813.db2.gz NSXMUUMZXMYGDY-UPJWGTAASA-N 2 0 270.421 1.286 10 0 CDAERP CC1=CC[N@H+](CCNC(=O)CN2CC(C)(C)C2)CC1 ZINC000519715062 391688874 /nfs/dbraw/zinc/68/88/74/391688874.db2.gz UZRGGDLSJCOMPP-UHFFFAOYSA-N 2 0 265.401 1.096 10 0 CDAERP C[C@@H](NCc1cc2c(cc1OC(F)F)OCO2)[C@H](C)[NH3+] ZINC000415014765 391724492 /nfs/dbraw/zinc/72/44/92/391724492.db2.gz XKKQFZHXMUAUDQ-JGVFFNPUSA-N 2 0 288.294 1.842 10 0 CDAERP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])cc1 ZINC000415017347 391725350 /nfs/dbraw/zinc/72/53/50/391725350.db2.gz PTYCEJQXOCKGSA-QJPTWQEYSA-N 2 0 279.384 1.738 10 0 CDAERP CC[NH2+][C@H](C)CNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000418125973 391752950 /nfs/dbraw/zinc/75/29/50/391752950.db2.gz KLRPQQKDDNSQKC-IYXRBSQSSA-N 2 0 282.432 1.301 10 0 CDAERP CCc1nccn1[C@@H](C)CC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000647811327 391798311 /nfs/dbraw/zinc/79/83/11/391798311.db2.gz NPNPJWOPYMXQQC-QWHCGFSZSA-N 2 0 280.416 1.886 10 0 CDAERP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CN1CC(C)(C)C1 ZINC000515888391 391798984 /nfs/dbraw/zinc/79/89/84/391798984.db2.gz WUXLNOYTRGHUOX-QLFBSQMISA-N 2 0 295.471 1.811 10 0 CDAERP CC1(C)C[NH2+][C@H]1C(=O)NCC1([NH3+])CCCCCC1 ZINC000647652566 391807662 /nfs/dbraw/zinc/80/76/62/391807662.db2.gz BUBHCVADOQUWMW-NSHDSACASA-N 2 0 253.390 1.152 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](CN[C@@H]2C[NH+](C)C[C@H]2C)C1 ZINC000344184430 391898080 /nfs/dbraw/zinc/89/80/80/391898080.db2.gz AKYZEXHGGIRVGX-RBSFLKMASA-N 2 0 253.434 1.647 10 0 CDAERP C[NH+]1CCC2(CC1)C[N@@H+]([C@@H]1C=CCCC1)CCO2 ZINC000646104735 392012667 /nfs/dbraw/zinc/01/26/67/392012667.db2.gz WQKDPOQDUAFMJB-CQSZACIVSA-N 2 0 250.386 1.892 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCCSCC2)CC1 ZINC000657835222 413051416 /nfs/dbraw/zinc/05/14/16/413051416.db2.gz DODFCCHUJUQBJI-CABCVRRESA-N 2 0 285.501 1.888 10 0 CDAERP CC[C@@H]1C[C@H](C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)CCO1 ZINC000261976362 392027920 /nfs/dbraw/zinc/02/79/20/392027920.db2.gz ISKYHALIKINECC-KFWWJZLASA-N 2 0 252.402 1.877 10 0 CDAERP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)c1cnn(C)c1 ZINC000163220370 392039662 /nfs/dbraw/zinc/03/96/62/392039662.db2.gz LZNIIJZJONCDMR-TZMCWYRMSA-N 2 0 250.390 1.803 10 0 CDAERP CC[NH+]1CCN(CC(C)(C)[NH2+]CCC[C@@H]2CCOC2)CC1 ZINC000645926033 392059151 /nfs/dbraw/zinc/05/91/51/392059151.db2.gz DUJDKRFAVWIVLB-MRXNPFEDSA-N 2 0 297.487 1.809 10 0 CDAERP C[C@H]1C[C@@H](N(C)C(=O)CCC(C)(C)[NH3+])CC[N@@H+]1C ZINC000649340939 392067670 /nfs/dbraw/zinc/06/76/70/392067670.db2.gz BGFQNGSJTMEKDD-RYUDHWBXSA-N 2 0 255.406 1.445 10 0 CDAERP CC(C)(C)[C@H](O)C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000336807488 392092839 /nfs/dbraw/zinc/09/28/39/392092839.db2.gz KKRLOWPPBDRNAL-ZIAGYGMSSA-N 2 0 270.417 1.048 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000649373465 392126258 /nfs/dbraw/zinc/12/62/58/392126258.db2.gz ZYKCCCNJZABHQZ-OAHLLOKOSA-N 2 0 293.455 1.898 10 0 CDAERP C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CC3)C2)CC1 ZINC000646245140 392203693 /nfs/dbraw/zinc/20/36/93/392203693.db2.gz DSEDRRHYYKMHQS-HNNXBMFYSA-N 2 0 291.439 1.558 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@@](C)(O)C1CCCCC1 ZINC000423069961 392314979 /nfs/dbraw/zinc/31/49/79/392314979.db2.gz FMDWKFCHTDKRQI-QCEMKRCNSA-N 2 0 284.444 1.660 10 0 CDAERP CC[C@H](NC[C@@H]1CCC[N@@H+]1CCOC)[C@@H]1CCC[NH2+]1 ZINC000422710585 392251600 /nfs/dbraw/zinc/25/16/00/392251600.db2.gz LNKKUSNAVXGHCM-KKUMJFAQSA-N 2 0 269.433 1.217 10 0 CDAERP Cc1nn(C)c(C)c1CCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423018918 392277714 /nfs/dbraw/zinc/27/77/14/392277714.db2.gz SKFUXRBRDWTANP-DOMZBBRYSA-N 2 0 264.417 1.700 10 0 CDAERP Cc1nc(N(C)C)nc(N(C)C[C@@H]2CCC[N@H+](C)C2)n1 ZINC000488386065 392347244 /nfs/dbraw/zinc/34/72/44/392347244.db2.gz DZOAHBUQLKYDOS-GFCCVEGCSA-N 2 0 278.404 1.024 10 0 CDAERP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H](CO)c1cccnc1 ZINC000423126752 392365707 /nfs/dbraw/zinc/36/57/07/392365707.db2.gz OTFDFTPMAPBXCT-JCGIZDLHSA-N 2 0 299.418 1.706 10 0 CDAERP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CC(F)(F)CN ZINC000568153709 392375605 /nfs/dbraw/zinc/37/56/05/392375605.db2.gz SWOZTAMCBWNNJE-TUAOUCFPSA-N 2 0 291.386 1.453 10 0 CDAERP C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000423146650 392385516 /nfs/dbraw/zinc/38/55/16/392385516.db2.gz PVDGGUPCCXVQIQ-ZACQAIPSSA-N 2 0 297.487 1.734 10 0 CDAERP OCCN1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423149557 392389221 /nfs/dbraw/zinc/38/92/21/392389221.db2.gz XTXSMFFIBBYHNP-QBPKDAKJSA-N 2 0 295.471 1.344 10 0 CDAERP COc1ccc([C@@H](NCC2C[NH2+]C2)[C@H]2CCC[NH2+]2)cc1 ZINC000423339229 392526462 /nfs/dbraw/zinc/52/64/62/392526462.db2.gz ZJUPBYSLNFCRSU-HZPDHXFCSA-N 2 0 275.396 1.297 10 0 CDAERP C[NH2+]CCNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000423249144 392470808 /nfs/dbraw/zinc/47/08/08/392470808.db2.gz RRAAJNUUQMIONZ-HNNXBMFYSA-N 2 0 275.440 1.891 10 0 CDAERP C[C@@H]1CCC[C@H]([NH+]2CCC(NCCC[NH3+])CC2)C1 ZINC000437787203 392490499 /nfs/dbraw/zinc/49/04/99/392490499.db2.gz KHVCXXPNMHOKDH-HIFRSBDPSA-N 2 0 253.434 1.968 10 0 CDAERP CC[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)C1(C(=O)OC)CCC1 ZINC000423399020 392551363 /nfs/dbraw/zinc/55/13/63/392551363.db2.gz PHTHWSDGFCUMFG-AVGNSLFASA-N 2 0 268.401 1.696 10 0 CDAERP C[NH+](C)C1CCC([NH2+][C@H](C2CC2)[C@H]2CNCCO2)CC1 ZINC000423549235 392589197 /nfs/dbraw/zinc/58/91/97/392589197.db2.gz NDKQGORDQDTHRW-QDIHITRGSA-N 2 0 281.444 1.216 10 0 CDAERP COC[C@H](C)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000527116610 392722848 /nfs/dbraw/zinc/72/28/48/392722848.db2.gz LLLZLINPNYVRGZ-OAGGEKHMSA-N 2 0 283.460 1.227 10 0 CDAERP C[N@@H+]1CCC[C@H]2CN(C(=O)CN3CC(C)(C)C3)CC[C@@H]21 ZINC000517171690 392846848 /nfs/dbraw/zinc/84/68/48/392846848.db2.gz DXFPMHMETYVYOF-KBPBESRZSA-N 2 0 279.428 1.271 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000188892867 393002992 /nfs/dbraw/zinc/00/29/92/393002992.db2.gz HYULMRVAJAGKNP-CQSZACIVSA-N 2 0 284.448 1.454 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC2CC[NH2+]CC2)[C@@H](C)C1 ZINC000521842628 393074041 /nfs/dbraw/zinc/07/40/41/393074041.db2.gz BZTOMNPOOCWIDD-DZGCQCFKSA-N 2 0 296.459 1.358 10 0 CDAERP CCOC1CCC([NH2+]C[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000657847511 413059297 /nfs/dbraw/zinc/05/92/97/413059297.db2.gz VGZZBWNOEDQTDL-HWOWSKLDSA-N 2 0 284.444 1.771 10 0 CDAERP C[C@H](C[NH2+][C@@H]1COC2(CCC2)C1)CN1CC[NH+](C)CC1 ZINC000657870835 413065094 /nfs/dbraw/zinc/06/50/94/413065094.db2.gz QSCYUTDQEWYSHJ-CABCVRRESA-N 2 0 281.444 1.171 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCCSCC2)CC1 ZINC000657891008 413074412 /nfs/dbraw/zinc/07/44/12/413074412.db2.gz YDSBOFZWKNXFPI-GFCCVEGCSA-N 2 0 258.431 1.318 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1)C[NH+]1CCCCC1 ZINC000218922230 140167064 /nfs/dbraw/zinc/16/70/64/140167064.db2.gz BJQTWJNKUIGZJY-QLFBSQMISA-N 2 0 281.444 1.742 10 0 CDAERP [NH3+]CCN(CCc1ccccc1)C(=O)c1coc(C[NH3+])c1 ZINC000261680749 140374826 /nfs/dbraw/zinc/37/48/26/140374826.db2.gz HINBMBTWJQIYAD-UHFFFAOYSA-N 2 0 287.363 1.382 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)CC[NH2+]1 ZINC000662591088 413156615 /nfs/dbraw/zinc/15/66/15/413156615.db2.gz PPIRSYARTIJHQF-BPUTZDHNSA-N 2 0 293.455 1.613 10 0 CDAERP CO[C@H](C[N@@H+]1CCC[C@H](CN2CCOCC2)C1)C1CCC1 ZINC000660486220 413160493 /nfs/dbraw/zinc/16/04/93/413160493.db2.gz ZJHAOEFRZYNBAL-NVXWUHKLSA-N 2 0 296.455 1.846 10 0 CDAERP C[C@H]1C[C@@H](NC(=O)NCCC[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000417871515 397645792 /nfs/dbraw/zinc/64/57/92/397645792.db2.gz JYDWFMSXPKEHRE-DZGCQCFKSA-N 2 0 290.411 1.297 10 0 CDAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCC1([NH3+])CCCCCC1 ZINC000418284342 397673349 /nfs/dbraw/zinc/67/33/49/397673349.db2.gz MLTBHTGMOSWACT-QWHCGFSZSA-N 2 0 282.432 1.335 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](OC)[C@H]2CCOC2)[C@@H](C)C1 ZINC000658074244 413173280 /nfs/dbraw/zinc/17/32/80/413173280.db2.gz SAEZBNFFPDXYEJ-AJNGGQMLSA-N 2 0 270.417 1.358 10 0 CDAERP C[C@H]([NH2+]C[C@@H](O)CN1CCCCC1)[C@@H]1CCCCO1 ZINC000381740517 397750358 /nfs/dbraw/zinc/75/03/58/397750358.db2.gz ZARDNLZOPHJXGH-ZNMIVQPWSA-N 2 0 270.417 1.380 10 0 CDAERP CCCCOC[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300298479 398087855 /nfs/dbraw/zinc/08/78/55/398087855.db2.gz MJMACMPGFNGAJN-SOUVJXGZSA-N 2 0 270.417 1.380 10 0 CDAERP C[NH+](C)CCN(C(=O)C1CCC([NH3+])CC1)C1CCCC1 ZINC000037825076 398112451 /nfs/dbraw/zinc/11/24/51/398112451.db2.gz GCQZFINCAIHHKQ-UHFFFAOYSA-N 2 0 281.444 1.837 10 0 CDAERP COC1([C@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)CCOCC1 ZINC000453202079 292145151 /nfs/dbraw/zinc/14/51/51/292145151.db2.gz YFKVLRSIAGZDEZ-AWEZNQCLSA-N 2 0 284.444 1.892 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]C[C@H](F)CC ZINC001663968593 1172795781 /nfs/dbraw/zinc/79/57/81/1172795781.db2.gz UJCGROVYFAMNPE-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP CN1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CCC1=O ZINC000093491735 147055577 /nfs/dbraw/zinc/05/55/77/147055577.db2.gz ZCGSNSMXAIQJDT-APIJFGDWSA-N 2 0 279.428 1.508 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000097093125 147121057 /nfs/dbraw/zinc/12/10/57/147121057.db2.gz PKBKVXOCLSVGSJ-NEPJUHHUSA-N 2 0 253.390 1.057 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N1CCC[NH+](C2CC2)CC1 ZINC000175762196 148007086 /nfs/dbraw/zinc/00/70/86/148007086.db2.gz SAKAEGWPUJLRRH-UHFFFAOYSA-N 2 0 296.459 1.598 10 0 CDAERP Cn1ccnc1C[C@H]1CCC[N@H+](CCCn2ccnc2)C1 ZINC000179628678 148125644 /nfs/dbraw/zinc/12/56/44/148125644.db2.gz IEKQFNSMRKFNCS-OAHLLOKOSA-N 3 0 287.411 1.961 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000193305432 148620064 /nfs/dbraw/zinc/62/00/64/148620064.db2.gz UZRZYTIGRXSWCZ-QWHCGFSZSA-N 2 0 253.390 1.201 10 0 CDAERP c1[nH]nc2cc(C[N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)ccc12 ZINC000262063091 149007483 /nfs/dbraw/zinc/00/74/83/149007483.db2.gz RHRHVKJSYOBEMT-OAHLLOKOSA-N 2 0 256.353 1.748 10 0 CDAERP C[C@]1(C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)CC[NH2+]C1 ZINC000262100141 149017944 /nfs/dbraw/zinc/01/79/44/149017944.db2.gz VMUIPBLFPNXDMK-ZBFHGGJFSA-N 2 0 279.428 1.224 10 0 CDAERP CC[NH2+][C@H](C)CNC(=O)c1ccccc1OCC[NH+](C)C ZINC000262433954 149065054 /nfs/dbraw/zinc/06/50/54/149065054.db2.gz FSIMGDCGFJUWGO-CYBMUJFWSA-N 2 0 293.411 1.355 10 0 CDAERP Cc1ccc([C@@H](CNC(=O)NCCC[NH3+])[NH+]2CCCC2)o1 ZINC000417415547 292199614 /nfs/dbraw/zinc/19/96/14/292199614.db2.gz FZIIARNMEJDGLL-CYBMUJFWSA-N 2 0 294.399 1.373 10 0 CDAERP Cc1csc(=O)n1CC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000335891705 151087400 /nfs/dbraw/zinc/08/74/00/151087400.db2.gz DGZRBVBHKSLUTG-UHFFFAOYSA-N 2 0 281.425 1.294 10 0 CDAERP [NH3+]C1(CC(=O)NCCC[NH+]2CCCCCC2)CC1 ZINC000662663336 413269279 /nfs/dbraw/zinc/26/92/79/413269279.db2.gz DOBBFXNKZGCCCL-UHFFFAOYSA-N 2 0 253.390 1.250 10 0 CDAERP Cc1c(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cnn1C ZINC000404426598 413280895 /nfs/dbraw/zinc/28/08/95/413280895.db2.gz LWMDTULPRYUHOI-BXUZGUMPSA-N 2 0 250.390 1.678 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@H](C)CO ZINC000349298684 154083549 /nfs/dbraw/zinc/08/35/49/154083549.db2.gz PQGUFCJTDJZJIJ-LLVKDONJSA-N 2 0 260.341 1.388 10 0 CDAERP CC[NH+]1CCC([NH2+]CC[C@@H](O)C(F)(F)F)CC1 ZINC000349312405 154086064 /nfs/dbraw/zinc/08/60/64/154086064.db2.gz FBFNDZRPFRIOPJ-SNVBAGLBSA-N 2 0 254.296 1.374 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NCC1([NH+](C)C)CCC1 ZINC000349911838 154268028 /nfs/dbraw/zinc/26/80/28/154268028.db2.gz OXCXDRBJVGQLLX-CYBMUJFWSA-N 2 0 284.448 1.500 10 0 CDAERP C[C@H](CNC(=O)CC1([NH3+])CC1)[N@@H+]1CCCC[C@H]1C ZINC000662678890 413296660 /nfs/dbraw/zinc/29/66/60/413296660.db2.gz JPPCQDTXWVQJBM-VXGBXAGGSA-N 2 0 253.390 1.247 10 0 CDAERP C[NH+](C)CCCCNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662682914 413306920 /nfs/dbraw/zinc/30/69/20/413306920.db2.gz LTXOHTIVAXHXBA-UHFFFAOYSA-N 2 0 253.390 1.106 10 0 CDAERP C[C@@H](CNC(=O)C1([NH3+])CC2(CCC2)C1)C[NH+]1CCCC1 ZINC000662688422 413314479 /nfs/dbraw/zinc/31/44/79/413314479.db2.gz PBNVBNCHUXAWGB-ZDUSSCGKSA-N 2 0 279.428 1.496 10 0 CDAERP C[N@H+](Cc1cn([C@@H]2CC[NH2+]C2)nn1)C1CCCCC1 ZINC000656467268 413320611 /nfs/dbraw/zinc/32/06/11/413320611.db2.gz NXQXKMPVYAGMMT-CQSZACIVSA-N 2 0 263.389 1.577 10 0 CDAERP C[N@H+](Cc1cn([C@H]2CC[NH2+]C2)nn1)C1CCCCC1 ZINC000656467266 413322296 /nfs/dbraw/zinc/32/22/96/413322296.db2.gz NXQXKMPVYAGMMT-AWEZNQCLSA-N 2 0 263.389 1.577 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)CC[C@@H]2CCCC[NH+]2C)CC[N@@H+]1C ZINC000354067186 156251331 /nfs/dbraw/zinc/25/13/31/156251331.db2.gz ZJUSKNRCXPXUSR-ILXRZTDVSA-N 2 0 281.444 1.850 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654469729 413324880 /nfs/dbraw/zinc/32/48/80/413324880.db2.gz GILGDWRBYAMYDH-OKILXGFUSA-N 2 0 284.448 1.358 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cc(C(C)(C)[NH3+])no2)C1 ZINC000662694451 413327517 /nfs/dbraw/zinc/32/75/17/413327517.db2.gz WTBZXVKKCGQBBI-LLVKDONJSA-N 2 0 294.399 1.329 10 0 CDAERP CCC[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C)[C@H]3CCC[C@@H]32)C1 ZINC000658285744 413334912 /nfs/dbraw/zinc/33/49/12/413334912.db2.gz NMBZDSLLVBLFRL-JJXSEGSLSA-N 2 0 265.445 1.933 10 0 CDAERP C[C@@H](C[N@H+](C)CC(=O)N1CC[NH2+]CC1)C(C)(C)C ZINC000310847505 413366155 /nfs/dbraw/zinc/36/61/55/413366155.db2.gz PXJODCLBWPIVQO-LBPRGKRZSA-N 2 0 255.406 1.032 10 0 CDAERP COc1cccc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)n1 ZINC000361917935 159017050 /nfs/dbraw/zinc/01/70/50/159017050.db2.gz BVHVXZOSAQZJAJ-VNHYZAJKSA-N 2 0 277.412 1.951 10 0 CDAERP CC(=O)CC[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000363797595 159339912 /nfs/dbraw/zinc/33/99/12/159339912.db2.gz VIZDJWVGJJTHAZ-UHFFFAOYSA-N 2 0 281.444 1.315 10 0 CDAERP C[C@H]1C[C@@H](C(=O)Nc2cnc3c(c2)C[NH2+]CC3)CC[NH2+]1 ZINC000373513859 160207057 /nfs/dbraw/zinc/20/70/57/160207057.db2.gz HHMYYCLMJVPYGU-QWRGUYRKSA-N 2 0 274.368 1.054 10 0 CDAERP CCO[C@H](CC[NH+](C)C)CNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662749868 413427342 /nfs/dbraw/zinc/42/73/42/413427342.db2.gz NMFOPPNMROWYEO-CYBMUJFWSA-N 2 0 297.443 1.121 10 0 CDAERP C[C@@H](NC(=O)N(CC[NH+](C)C)CC1CCCCC1)[C@H](C)[NH3+] ZINC000418692035 286948057 /nfs/dbraw/zinc/94/80/57/286948057.db2.gz FJEBXEMHCYFRGT-UONOGXRCSA-N 2 0 298.475 1.876 10 0 CDAERP C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000405007902 413447814 /nfs/dbraw/zinc/44/78/14/413447814.db2.gz CCPKMLAXUJPFRP-RDBSUJKOSA-N 2 0 267.417 1.304 10 0 CDAERP CC1(C)CC[NH2+][C@@H]1C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000662760655 413448383 /nfs/dbraw/zinc/44/83/83/413448383.db2.gz HXCJHRYCEJYWER-MELADBBJSA-N 2 0 279.428 1.365 10 0 CDAERP C[NH2+][C@H]1CCCN(C(=O)[C@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000261777877 165051468 /nfs/dbraw/zinc/05/14/68/165051468.db2.gz SBROOCOQYXJPQZ-UONOGXRCSA-N 2 0 279.359 1.078 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000653214203 412141642 /nfs/dbraw/zinc/14/16/42/412141642.db2.gz LFLOZFYGSGKGFI-CYBMUJFWSA-N 2 0 261.369 1.020 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000653175881 412114657 /nfs/dbraw/zinc/11/46/57/412114657.db2.gz DYYFRAKRHWWTNR-UHFFFAOYSA-N 2 0 289.423 1.998 10 0 CDAERP [NH3+]CC1(CCNC(=O)[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000653222663 412148418 /nfs/dbraw/zinc/14/84/18/412148418.db2.gz KREBDOSJZRCUCR-CYBMUJFWSA-N 2 0 267.417 1.529 10 0 CDAERP O=C(N1CCC2(CC[NH2+]C2)CC1)C1([NH2+]C2CC2)CCC1 ZINC000662777809 413481657 /nfs/dbraw/zinc/48/16/57/413481657.db2.gz DGKHOFLIHHTMHX-UHFFFAOYSA-N 2 0 277.412 1.263 10 0 CDAERP C[NH+](C)CC(C)(C)NC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000656614346 413496199 /nfs/dbraw/zinc/49/61/99/413496199.db2.gz YFROEJNOGLNCIF-MRXNPFEDSA-N 2 0 293.455 1.409 10 0 CDAERP c1cc([C@H]2C[NH2+]CCO2)ccc1NCC1CC[NH2+]CC1 ZINC000656791364 413674673 /nfs/dbraw/zinc/67/46/73/413674673.db2.gz DMDYGFRDBOSJJM-MRXNPFEDSA-N 2 0 275.396 1.759 10 0 CDAERP O=C(NCC12CC(C1)C[NH2+]2)NC1CC([NH+]2CCCCC2)C1 ZINC000659490115 413877811 /nfs/dbraw/zinc/87/78/11/413877811.db2.gz OXGHAJNYIJRMRT-UHFFFAOYSA-N 2 0 292.427 1.055 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000659435020 413817720 /nfs/dbraw/zinc/81/77/20/413817720.db2.gz UOSQQJXFGWULCX-RRFJBIMHSA-N 2 0 298.475 1.779 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@H](C)CCCC[NH3+] ZINC000659544559 413951442 /nfs/dbraw/zinc/95/14/42/413951442.db2.gz CQWRUXABMCBMQW-VXGBXAGGSA-N 2 0 258.410 1.177 10 0 CDAERP C[C@@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@@H](C)c1ccccn1 ZINC000665232059 413957914 /nfs/dbraw/zinc/95/79/14/413957914.db2.gz FDNCHUYCNVNMQO-GUIRCDHDSA-N 2 0 263.385 1.527 10 0 CDAERP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC000665235120 413964579 /nfs/dbraw/zinc/96/45/79/413964579.db2.gz QCERTXGQYUUOEQ-CHWSQXEVSA-N 2 0 288.457 1.179 10 0 CDAERP C[NH2+]C[C@H](C)NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000659646973 414055638 /nfs/dbraw/zinc/05/56/38/414055638.db2.gz RCYDQZVCAVZSRP-KBPBESRZSA-N 2 0 282.432 1.254 10 0 CDAERP C[C@H](CCC(F)(F)F)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665293298 414033811 /nfs/dbraw/zinc/03/38/11/414033811.db2.gz XNDDMZVOHCZBGW-SSDOTTSWSA-N 2 0 278.278 1.462 10 0 CDAERP COCCOCCC[NH2+][C@H](C)[C@H]1CCC[N@H+](C)C1 ZINC000037221548 173040056 /nfs/dbraw/zinc/04/00/56/173040056.db2.gz IUTLGPNGBPANDU-KGLIPLIRSA-N 2 0 258.406 1.359 10 0 CDAERP CC(C)[C@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)N(C)C ZINC000037221300 173040716 /nfs/dbraw/zinc/04/07/16/173040716.db2.gz JGXLCGRAKCQGSV-HIFRSBDPSA-N 2 0 255.450 1.893 10 0 CDAERP C[C@@H]1CCCC[C@@H]1NC(=O)NCCN(C)CCC[NH+](C)C ZINC000663414406 414236217 /nfs/dbraw/zinc/23/62/17/414236217.db2.gz CNXPBZYMIWNMJN-CABCVRRESA-N 2 0 298.475 1.748 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cnc(N3CCCC3)nc2)C1 ZINC000655826572 414237357 /nfs/dbraw/zinc/23/73/57/414237357.db2.gz JHBPQQFFRVGNKE-OTVXOJSOSA-N 2 0 289.427 1.507 10 0 CDAERP CC[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cnn(C)c1 ZINC000655805446 414198155 /nfs/dbraw/zinc/19/81/55/414198155.db2.gz HIZSKXGRAWCSQG-YUTCNCBUSA-N 2 0 250.390 1.801 10 0 CDAERP CC[C@@H](C)[NH2+]CC(=O)Nc1c[nH+]ccc1N(C)C ZINC000037617331 173566367 /nfs/dbraw/zinc/56/63/67/173566367.db2.gz FZQFEQQMITYGTB-SNVBAGLBSA-N 2 0 250.346 1.474 10 0 CDAERP CC1(C)NC(=O)CC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663464149 414272903 /nfs/dbraw/zinc/27/29/03/414272903.db2.gz CRASODQECDXBJE-CABCVRRESA-N 2 0 293.455 1.755 10 0 CDAERP CC[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CO1 ZINC000657399981 414286456 /nfs/dbraw/zinc/28/64/56/414286456.db2.gz KHTSMMTYYXTVEQ-YLFCFFPRSA-N 2 0 296.455 1.911 10 0 CDAERP CC[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CO1 ZINC000657399979 414286873 /nfs/dbraw/zinc/28/68/73/414286873.db2.gz KHTSMMTYYXTVEQ-VVLHAWIVSA-N 2 0 296.455 1.911 10 0 CDAERP C[C@@H]([NH3+])[C@H]1CCCCN1Cc1nc2c(s1)C[NH2+]CC2 ZINC000663496107 414293139 /nfs/dbraw/zinc/29/31/39/414293139.db2.gz RMXGQOJJQFMUCC-ZYHUDNBSSA-N 2 0 280.441 1.491 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CC[NH+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000661702342 414294318 /nfs/dbraw/zinc/29/43/18/414294318.db2.gz PQLSTPDPPNPZTJ-RBSFLKMASA-N 2 0 252.402 1.829 10 0 CDAERP C[C@]1(C[N@H+](CCN2CCOCC2)CC2CC2)CC[NH2+]C1 ZINC000663501512 414301574 /nfs/dbraw/zinc/30/15/74/414301574.db2.gz WZZLGPFGLMIZTB-INIZCTEOSA-N 2 0 281.444 1.030 10 0 CDAERP CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657420874 414307313 /nfs/dbraw/zinc/30/73/13/414307313.db2.gz BZXKTLNJXKCXHB-HUUCEWRRSA-N 2 0 299.378 1.272 10 0 CDAERP O[C@@H]1CC[C@H](C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657445824 414340621 /nfs/dbraw/zinc/34/06/21/414340621.db2.gz LEPUKXZXADJGMD-SWLSCSKDSA-N 2 0 272.352 1.518 10 0 CDAERP C[C@H]1C[N@H+](CCCNCc2cnn3c2CCC3)CCCO1 ZINC000657447179 414346055 /nfs/dbraw/zinc/34/60/55/414346055.db2.gz BQPQDOIZSUZFON-AWEZNQCLSA-N 2 0 292.427 1.420 10 0 CDAERP CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657439768 414329346 /nfs/dbraw/zinc/32/93/46/414329346.db2.gz FWRNDRDTCAADCI-ZIAGYGMSSA-N 2 0 272.352 1.516 10 0 CDAERP CO[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCOC1 ZINC000657540022 414425573 /nfs/dbraw/zinc/42/55/73/414425573.db2.gz FXGZJFJOOOKITN-GBJTYRQASA-N 2 0 268.401 1.254 10 0 CDAERP C[N@@H+](Cc1ccsc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249272 414586279 /nfs/dbraw/zinc/58/62/79/414586279.db2.gz RUHPVCGJSWORKO-LBPRGKRZSA-N 2 0 252.383 1.701 10 0 CDAERP C[C@@H](O)C[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CCCCC1 ZINC000662258415 414595047 /nfs/dbraw/zinc/59/50/47/414595047.db2.gz UMXQATNIJMOLKD-UKRRQHHQSA-N 2 0 282.428 1.523 10 0 CDAERP COC[C@@H](C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1)OC ZINC000662296128 414621263 /nfs/dbraw/zinc/62/12/63/414621263.db2.gz XWLWRJLADCNIEH-LSDHHAIUSA-N 2 0 270.417 1.359 10 0 CDAERP C[C@@]12COC[C@]1(C)C[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC000662303310 414626856 /nfs/dbraw/zinc/62/68/56/414626856.db2.gz VTMLLNDGGOSTKX-GASCZTMLSA-N 2 0 252.402 1.735 10 0 CDAERP CCCN(Cc1cccc2c1CC[NH2+]C2)[C@H]1CC[NH2+]C1 ZINC000662247547 414582682 /nfs/dbraw/zinc/58/26/82/414582682.db2.gz XGCVLMBUJGRFQT-INIZCTEOSA-N 3 0 273.424 1.906 10 0 CDAERP CC(C)NC(=O)[C@@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000662318364 414634859 /nfs/dbraw/zinc/63/48/59/414634859.db2.gz ZCXISBFHEMAGBX-OAHLLOKOSA-N 2 0 281.444 1.613 10 0 CDAERP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@@H]2CCCO2)CCO1 ZINC000662318665 414635935 /nfs/dbraw/zinc/63/59/35/414635935.db2.gz DDSSOXCTWSQGDP-KGLIPLIRSA-N 2 0 256.390 1.208 10 0 CDAERP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@H]2CCCOC2)CCO1 ZINC000662318928 414637302 /nfs/dbraw/zinc/63/73/02/414637302.db2.gz BJAGNRZEMRCRMN-HUUCEWRRSA-N 2 0 270.417 1.456 10 0 CDAERP C[C@H](CNC(=O)c1ccc(C[NH3+])cc1)[NH+]1CCCCC1 ZINC000038029433 174020278 /nfs/dbraw/zinc/02/02/78/174020278.db2.gz OGTWWDMDGAFCGO-CYBMUJFWSA-N 2 0 275.396 1.750 10 0 CDAERP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@H](O)C(C)(C)C)CCO1 ZINC000662322160 414639528 /nfs/dbraw/zinc/63/95/28/414639528.db2.gz FXKGJJRJGWHAGZ-KGLIPLIRSA-N 2 0 272.433 1.436 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)C2([NH3+])CCCCC2)C1 ZINC000040503620 174300316 /nfs/dbraw/zinc/30/03/16/174300316.db2.gz OVHYVUQYSSCWSU-LBPRGKRZSA-N 2 0 253.390 1.249 10 0 CDAERP O[C@@H](C[NH2+]C1CC1)CN1CCC([NH+]2CCCCC2)CC1 ZINC000040693901 174377653 /nfs/dbraw/zinc/37/76/53/174377653.db2.gz HRRWPZPMSQWAIK-INIZCTEOSA-N 2 0 281.444 1.050 10 0 CDAERP [NH3+]C1(C(=O)NCC[NH+]2CCCCCC2)CCCC1 ZINC000040768238 174398586 /nfs/dbraw/zinc/39/85/86/174398586.db2.gz RJASSLWQDUXNAQ-UHFFFAOYSA-N 2 0 253.390 1.250 10 0 CDAERP [NH3+]CC1(N2CCO[C@H]3CCCC[C@@H]32)CCSCC1 ZINC000043424867 175040225 /nfs/dbraw/zinc/04/02/25/175040225.db2.gz OFUIUPCKMAUHTR-STQMWFEESA-N 2 0 270.442 1.854 10 0 CDAERP C[NH2+]CCC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000043600347 175077598 /nfs/dbraw/zinc/07/75/98/175077598.db2.gz SNYXKUXQCDPDEK-UHFFFAOYSA-N 2 0 261.369 1.830 10 0 CDAERP C[NH2+][C@H](CN1CCC[N@H+](C)CC1)c1ccccc1C ZINC000043818145 175112796 /nfs/dbraw/zinc/11/27/96/175112796.db2.gz ZVRFOCXHQFCFIR-MRXNPFEDSA-N 2 0 261.413 1.893 10 0 CDAERP C[NH2+][C@H]1c2ccccc2C[C@@H]1N1CC[NH+](CC2CC2)CC1 ZINC000043967865 175128986 /nfs/dbraw/zinc/12/89/86/175128986.db2.gz SXIQEICWXHPOLA-ROUUACIJSA-N 2 0 285.435 1.899 10 0 CDAERP CCC[NH2+][C@H]1CCOC[C@@H]1N1CCC(C[NH+](C)C)CC1 ZINC000043970817 175132015 /nfs/dbraw/zinc/13/20/15/175132015.db2.gz BKQGGYYXQCMOGQ-HOTGVXAUSA-N 2 0 283.460 1.417 10 0 CDAERP C[NH+]1CCC(NC(=O)C2(C[NH3+])CCCCCC2)CC1 ZINC000044762596 175246681 /nfs/dbraw/zinc/24/66/81/175246681.db2.gz QAVUNIFIEKZBFR-UHFFFAOYSA-N 2 0 267.417 1.496 10 0 CDAERP CC(C)(C)[NH+]1CCN(C(=O)C2(C[NH3+])CCCCC2)CC1 ZINC000044763330 175247530 /nfs/dbraw/zinc/24/75/30/175247530.db2.gz XMTGOZLBDBELOD-UHFFFAOYSA-N 2 0 281.444 1.838 10 0 CDAERP CN(C(=O)[C@@H](C[NH3+])Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000044793726 175254237 /nfs/dbraw/zinc/25/42/37/175254237.db2.gz ZNOBOEKSYSNTSC-OAHLLOKOSA-N 2 0 289.423 1.357 10 0 CDAERP CC[NH2+][C@@](C)(CCCC[N@@H+]1CCC[C@@H]1C)C(N)=O ZINC000045367797 175363220 /nfs/dbraw/zinc/36/32/20/175363220.db2.gz NSOVYNXIQMIZNV-JSGCOSHPSA-N 2 0 255.406 1.495 10 0 CDAERP CCC[NH+]1CCN(CCCC[C@@](C)([NH3+])C(=O)OC)CC1 ZINC000045373888 175365316 /nfs/dbraw/zinc/36/53/16/175365316.db2.gz LOSYSBFNWCDFKH-OAHLLOKOSA-N 2 0 285.432 1.075 10 0 CDAERP CC[NH2+][C@@](C)(CCC[NH+]1CCC(C)CC1)C(N)=O ZINC000045374976 175365915 /nfs/dbraw/zinc/36/59/15/175365915.db2.gz FQVIOMWQOPQTSL-AWEZNQCLSA-N 2 0 255.406 1.352 10 0 CDAERP C[NH2+][C@@](C)(CCC[N@H+](C)C1CCCCC1)C(N)=O ZINC000045379141 175368613 /nfs/dbraw/zinc/36/86/13/175368613.db2.gz XCXRTORYHUAYAL-AWEZNQCLSA-N 2 0 255.406 1.495 10 0 CDAERP COC(=O)[C@@](C)([NH3+])CCC[N@H+](CCN(C)C)CC(C)C ZINC000045420909 175380298 /nfs/dbraw/zinc/38/02/98/175380298.db2.gz OZVLFKHDGLVAEB-HNNXBMFYSA-N 2 0 287.448 1.177 10 0 CDAERP C[C@H](O)C[NH+]1CCC(C[NH2+]CCc2ccccc2)CC1 ZINC000069923278 175862479 /nfs/dbraw/zinc/86/24/79/175862479.db2.gz QECDCHJHKMWJPA-HNNXBMFYSA-N 2 0 276.424 1.912 10 0 CDAERP CC[NH+]1CCC(N(C)C[C@@](CO)([NH2+]C2CC2)C2CC2)CC1 ZINC000070514538 175963762 /nfs/dbraw/zinc/96/37/62/175963762.db2.gz QBHMQGCXZLBEAX-KRWDZBQOSA-N 2 0 295.471 1.296 10 0 CDAERP CCC[NH2+][C@@H]1CCN(C[C@@H](C)C[NH+]2CCCC2)C1=O ZINC000071031241 176022508 /nfs/dbraw/zinc/02/25/08/176022508.db2.gz DABIDODERVOMFN-UONOGXRCSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)[NH2+][C@H]1CCN(CC(C)(C)C[NH+](C)C)C1=O ZINC000071036129 176025603 /nfs/dbraw/zinc/02/56/03/176025603.db2.gz POASENMJLNPNFJ-LBPRGKRZSA-N 2 0 255.406 1.173 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)N1CC[C@@H]([NH2+]C2CC2)C1=O ZINC000071037360 176026195 /nfs/dbraw/zinc/02/61/95/176026195.db2.gz SSEQKWRIHSDQOM-TZMCWYRMSA-N 2 0 265.401 1.214 10 0 CDAERP C[C@H]1CCC[C@](C[NH3+])(N(C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071188579 176063496 /nfs/dbraw/zinc/06/34/96/176063496.db2.gz WOKYQHIYZKTTQN-ZNMIVQPWSA-N 2 0 253.434 1.778 10 0 CDAERP CC[C@@]1(C(=O)N(C)C[C@H]2CC[N@H+](C)C2)CCC[NH2+]C1 ZINC000071189602 176065236 /nfs/dbraw/zinc/06/52/36/176065236.db2.gz MGPHVXVMAAQHII-DZGCQCFKSA-N 2 0 267.417 1.176 10 0 CDAERP C[NH2+][C@H]1CCCC[C@H]1CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191393 176069662 /nfs/dbraw/zinc/06/96/62/176069662.db2.gz NGMSZCLOIDADHE-ILXRZTDVSA-N 2 0 253.434 1.648 10 0 CDAERP CC(C)[NH2+]C[C@]1(CN(C)C[C@@H]2CC[N@H+](C)C2)CCOC1 ZINC000071191468 176069700 /nfs/dbraw/zinc/06/97/00/176069700.db2.gz HHFQRVVVQYBISV-CVEARBPZSA-N 2 0 283.460 1.275 10 0 CDAERP CN(C[C@H]1CC[N@H+](C)C1)c1ncc(C[NH3+])cc1Cl ZINC000071191770 176071774 /nfs/dbraw/zinc/07/17/74/176071774.db2.gz HZNLVVGRQQRSJA-JTQLQIEISA-N 2 0 268.792 1.582 10 0 CDAERP CC(C)[NH2+][C@H]1CCN(C[C@@H](C)[NH+]2CCCCC2)C1 ZINC000071201175 176077707 /nfs/dbraw/zinc/07/77/07/176077707.db2.gz TXQOTBJXNPRUFH-CABCVRRESA-N 2 0 253.434 1.933 10 0 CDAERP CCC[NH+]1CCC(N2CC[C@H]([NH2+]C3CC3)C2)CC1 ZINC000071201392 176078236 /nfs/dbraw/zinc/07/82/36/176078236.db2.gz BXGHFTYFFJWWNB-AWEZNQCLSA-N 2 0 251.418 1.687 10 0 CDAERP C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(F)cc1C[NH3+] ZINC000071263444 176096745 /nfs/dbraw/zinc/09/67/45/176096745.db2.gz TYHRHUCNSIHCCH-JQWIXIFHSA-N 2 0 279.359 1.370 10 0 CDAERP CC[NH2+]C[C@@](C)(CC)CN1CC[NH+](CC(C)(C)O)CC1 ZINC000071381787 176145734 /nfs/dbraw/zinc/14/57/34/176145734.db2.gz DGYVAFLGZXQXHF-MRXNPFEDSA-N 2 0 285.476 1.401 10 0 CDAERP CC[NH2+]CC1(CN2CC[NH+](CC(C)(C)O)CC2)CCCC1 ZINC000071381820 176145800 /nfs/dbraw/zinc/14/58/00/176145800.db2.gz WHGLNDWAELEYRS-UHFFFAOYSA-N 2 0 297.487 1.545 10 0 CDAERP CC[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]C(C)C ZINC001665845102 1173072974 /nfs/dbraw/zinc/07/29/74/1173072974.db2.gz XEDYQDGODJQFOJ-OLZOCXBDSA-N 2 0 255.406 1.221 10 0 CDAERP CC(C)[C@H](C[NH2+][C@H](C)[C@@H]1C[C@H]1C)N1CC[NH+](C)CC1 ZINC000321754608 270330608 /nfs/dbraw/zinc/33/06/08/270330608.db2.gz BNQSKRICKKBYTQ-FPCVCCKLSA-N 2 0 267.461 1.893 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCCC1(F)F ZINC000390581914 262223143 /nfs/dbraw/zinc/22/31/43/262223143.db2.gz DUOFYPIVYFHJPW-QWRGUYRKSA-N 2 0 250.333 1.765 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@H](C)N(C)C(=O)CC[NH+](C)C ZINC001666982897 1173215912 /nfs/dbraw/zinc/21/59/12/1173215912.db2.gz ODMFXQFUJVXYPA-RYUDHWBXSA-N 2 0 261.385 1.123 10 0 CDAERP C[C@@H](CNC(=O)N1CC2CC1(C[NH3+])C2)C[NH+]1CCCCC1 ZINC000659440024 423775919 /nfs/dbraw/zinc/77/59/19/423775919.db2.gz KYJRDXGSOUTOEV-HLIUYOAVSA-N 2 0 294.443 1.241 10 0 CDAERP CC1CC[NH+](C[C@H]2CCCN(C[C@H]3C[NH2+]CCO3)C2)CC1 ZINC000662259702 423805029 /nfs/dbraw/zinc/80/50/29/423805029.db2.gz AFAFOMZSVCRVQY-IAGOWNOFSA-N 2 0 295.471 1.419 10 0 CDAERP [NH3+]CCC1CCN(C(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000653256636 423808250 /nfs/dbraw/zinc/80/82/50/423808250.db2.gz QAJJCZPPAGTOGW-HNNXBMFYSA-N 2 0 293.386 1.455 10 0 CDAERP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCO[C@H]2CC2(F)F)CC1 ZINC000662274497 423838697 /nfs/dbraw/zinc/83/86/97/423838697.db2.gz USVPMHHIQBWDHJ-AGIUHOORSA-N 2 0 290.354 1.239 10 0 CDAERP NC(=O)[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000651939877 423941348 /nfs/dbraw/zinc/94/13/48/423941348.db2.gz TVPBMDOSAHNCSO-XBXGTLAGSA-N 2 0 279.428 1.637 10 0 CDAERP CC(C)NC(=O)[C@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000662316074 423947175 /nfs/dbraw/zinc/94/71/75/423947175.db2.gz IEEGCFXOPQZDOR-GJZGRUSLSA-N 2 0 281.444 1.613 10 0 CDAERP O=C(NCCC1CC[NH2+]CC1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000653267240 423962518 /nfs/dbraw/zinc/96/25/18/423962518.db2.gz MXYNIRZLIQSXCJ-KFWWJZLASA-N 2 0 279.428 1.413 10 0 CDAERP CC(C)Cn1ccnc1CNC(=O)NCCC1(C[NH3+])CC1 ZINC000652158091 423979404 /nfs/dbraw/zinc/97/94/04/423979404.db2.gz SFCXDXPQBVTHGQ-UHFFFAOYSA-N 2 0 293.415 1.467 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1ccc(C[NH3+])cc1F ZINC000652216034 424067949 /nfs/dbraw/zinc/06/79/49/424067949.db2.gz HIWMXMVOEYSDKJ-YGRLFVJLSA-N 2 0 294.374 1.082 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000652215532 424068169 /nfs/dbraw/zinc/06/81/69/424068169.db2.gz TUONVHLKZLXXJU-OAHLLOKOSA-N 2 0 290.411 1.347 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000652216784 424073553 /nfs/dbraw/zinc/07/35/53/424073553.db2.gz GKRLKFNRRYVXEW-UONOGXRCSA-N 2 0 284.448 1.262 10 0 CDAERP C[NH2+]C[C@H]1CCCN(C(=O)NCCC[N@H+](C)CC(C)C)C1 ZINC000652225149 424086977 /nfs/dbraw/zinc/08/69/77/424086977.db2.gz RNIOCAPABRWEFH-OAHLLOKOSA-N 2 0 298.475 1.605 10 0 CDAERP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCCC1(C[NH3+])CC1 ZINC000652234308 424107704 /nfs/dbraw/zinc/10/77/04/424107704.db2.gz ZMFAHMDJKVYLCJ-ZIAGYGMSSA-N 2 0 294.443 1.384 10 0 CDAERP [NH3+]CC1(CCNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000652243286 424113638 /nfs/dbraw/zinc/11/36/38/424113638.db2.gz LSDVMEDSJDIUEG-CQSZACIVSA-N 2 0 294.443 1.385 10 0 CDAERP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCCC1(C[NH3+])CC1 ZINC000652240378 424120969 /nfs/dbraw/zinc/12/09/69/424120969.db2.gz YSXFTMGCXIBRHM-STQMWFEESA-N 2 0 282.432 1.097 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000652222597 424101490 /nfs/dbraw/zinc/10/14/90/424101490.db2.gz SMTGQBLUUIALLY-OAHLLOKOSA-N 2 0 298.475 1.796 10 0 CDAERP CCC[C@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662592355 424209821 /nfs/dbraw/zinc/20/98/21/424209821.db2.gz JBGZJZNYYPXGDP-NEPJUHHUSA-N 2 0 255.406 1.350 10 0 CDAERP O=C(NCCC1CC[NH2+]CC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000652314146 424221016 /nfs/dbraw/zinc/22/10/16/424221016.db2.gz WJGUZUIGYJVOQI-OAHLLOKOSA-N 2 0 292.427 1.032 10 0 CDAERP O=C(NCC[NH2+]C1CCCCCC1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653053619 424177108 /nfs/dbraw/zinc/17/71/08/424177108.db2.gz VZJAXDSHLVTDEC-CVEARBPZSA-N 2 0 293.455 1.946 10 0 CDAERP COCCOCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652362377 424312717 /nfs/dbraw/zinc/31/27/17/424312717.db2.gz FQYIHHUVZWCQKR-ZNMIVQPWSA-N 2 0 286.416 1.010 10 0 CDAERP CCC[NH2+][C@@H](C)C(=O)NC(C)(C)C[N@H+](C)CCC ZINC000664718770 424326077 /nfs/dbraw/zinc/32/60/77/424326077.db2.gz JVPKOLDQAUWWDE-LBPRGKRZSA-N 2 0 257.422 1.611 10 0 CDAERP C[C@H](CCCC[NH3+])NC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653141976 424364303 /nfs/dbraw/zinc/36/43/03/424364303.db2.gz VPMFWRHSTCMRJD-KGYLQXTDSA-N 2 0 253.390 1.151 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+][C@H]2CC[C@@H](C)SC2)CC1 ZINC000655689203 424394435 /nfs/dbraw/zinc/39/44/35/424394435.db2.gz YRVIMXKISYMGIA-CABCVRRESA-N 2 0 285.501 1.888 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC[C@@H]([NH3+])C(C)C)C[C@H]1C ZINC000659620186 424414395 /nfs/dbraw/zinc/41/43/95/424414395.db2.gz BZGSQXWCJLSHPP-RBSFLKMASA-N 2 0 298.475 1.874 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N(CC[NH+](C)C)C(C)C ZINC000659622952 424421835 /nfs/dbraw/zinc/42/18/35/424421835.db2.gz XSXZIEKYQBQNED-CYBMUJFWSA-N 2 0 272.437 1.341 10 0 CDAERP [NH3+]C[C@H]1CCCc2ccc(C(=O)NCC[NH2+]C3CC3)cc21 ZINC000659294118 424497144 /nfs/dbraw/zinc/49/71/44/424497144.db2.gz HJHUDCCGURAZAZ-CQSZACIVSA-N 2 0 287.407 1.547 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000189245488 270275742 /nfs/dbraw/zinc/27/57/42/270275742.db2.gz OCXUBJWHJUPFOM-IRXDYDNUSA-N 2 0 295.471 1.657 10 0 CDAERP CC(C)(C)[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000324631921 270331798 /nfs/dbraw/zinc/33/17/98/270331798.db2.gz UBMXQGSBFLWQQD-XJFOESAGSA-N 2 0 254.418 1.904 10 0 CDAERP c1cc2c(cc1N[C@H]1CCC[NH2+]CC1)OCC[NH2+]C2 ZINC000530247070 271181835 /nfs/dbraw/zinc/18/18/35/271181835.db2.gz OEWAXAIPSQJROR-ZDUSSCGKSA-N 2 0 261.369 1.723 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[NH+](C2CC2)CC1 ZINC000171480969 276157997 /nfs/dbraw/zinc/15/79/97/276157997.db2.gz HVBYCQJEELLOCZ-HNNXBMFYSA-N 2 0 279.428 1.558 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC000341404419 277032083 /nfs/dbraw/zinc/03/20/83/277032083.db2.gz NKDKOLPOQPQRQA-ARFHVFGLSA-N 2 0 296.455 1.628 10 0 CDAERP COC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000449505679 277085088 /nfs/dbraw/zinc/08/50/88/277085088.db2.gz BMXBJDBHUKNVPA-BARDWOONSA-N 2 0 280.412 1.935 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2CCOCC2)[C@H]2CCC[C@H]21 ZINC000367517483 277170551 /nfs/dbraw/zinc/17/05/51/277170551.db2.gz BKXKSBLCJIHHJZ-QLFBSQMISA-N 2 0 252.402 1.875 10 0 CDAERP CC(C)C(=O)N1CC[NH+](C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000334883299 277331790 /nfs/dbraw/zinc/33/17/90/277331790.db2.gz VSRQEEKWTPWRQS-UONOGXRCSA-N 2 0 267.417 1.175 10 0 CDAERP CC(C)C[NH+]1CCC(N[C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000422820086 277386139 /nfs/dbraw/zinc/38/61/39/277386139.db2.gz OTEAWGDZDKCMFD-IRXDYDNUSA-N 2 0 295.471 1.463 10 0 CDAERP CC(C)[NH+]1CCC([NH2+][C@@H]2CCC(=O)NC2(C)C)CC1 ZINC000334238483 277584969 /nfs/dbraw/zinc/58/49/69/277584969.db2.gz SVDLDDFRZFMRBM-CYBMUJFWSA-N 2 0 267.417 1.506 10 0 CDAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000422922723 278216548 /nfs/dbraw/zinc/21/65/48/278216548.db2.gz UFBVOPVQNVBYQT-LJIZCISZSA-N 2 0 293.455 1.896 10 0 CDAERP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)[C@H]1C[C@H]1C ZINC000414122006 278257380 /nfs/dbraw/zinc/25/73/80/278257380.db2.gz NRKBZFGHGNPERI-BARDWOONSA-N 2 0 254.418 1.857 10 0 CDAERP C[C@H](O)CCC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000354742702 278286998 /nfs/dbraw/zinc/28/69/98/278286998.db2.gz YYCDESPMIIXXAT-GBJTYRQASA-N 2 0 270.417 1.331 10 0 CDAERP CC[NH+](CC)CCCN[C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422739132 279099847 /nfs/dbraw/zinc/09/98/47/279099847.db2.gz ZXHMKVSTCZPTMZ-CABCVRRESA-N 2 0 269.433 1.075 10 0 CDAERP CC(C)C[C@H](C[NH3+])C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000236758270 279134058 /nfs/dbraw/zinc/13/40/58/279134058.db2.gz NFYBWFJPNXYVLH-MJBXVCDLSA-N 2 0 269.433 1.549 10 0 CDAERP CC(C)N(C)C(=O)[C@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000335721028 279343222 /nfs/dbraw/zinc/34/32/22/279343222.db2.gz JWGGXTDUGLJNEX-ZDUSSCGKSA-N 2 0 267.417 1.317 10 0 CDAERP CC(C)[N@H+](C)CC1CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000227798527 280106835 /nfs/dbraw/zinc/10/68/35/280106835.db2.gz LMEJYNMBSUILDK-HUUCEWRRSA-N 2 0 281.444 1.693 10 0 CDAERP CCC[NH+]1CCC(C[NH2+]C[C@H](O)CCOC(C)C)CC1 ZINC000516862077 280952002 /nfs/dbraw/zinc/95/20/02/280952002.db2.gz HKEJGFBZCAGBAH-MRXNPFEDSA-N 2 0 286.460 1.874 10 0 CDAERP Cc1cc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)ccn1 ZINC000527702225 281171893 /nfs/dbraw/zinc/17/18/93/281171893.db2.gz BHRIZQSOAFWOQN-UHFFFAOYSA-N 2 0 276.428 1.506 10 0 CDAERP CC1(C)CN(C(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])CC[C@@H]1[NH3+] ZINC000261718942 281193112 /nfs/dbraw/zinc/19/31/12/281193112.db2.gz CFNTWJFHSXUGMX-SLEUVZQESA-N 2 0 267.417 1.480 10 0 CDAERP CCN(CC[NH2+]CC1CC1)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001668533119 1173423901 /nfs/dbraw/zinc/42/39/01/1173423901.db2.gz ITHYSDMBZLKKDW-ZFWWWQNUSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)[C@@H]1C ZINC000423376555 288759870 /nfs/dbraw/zinc/75/98/70/288759870.db2.gz AVLFXQHHMICONM-WISYIIOYSA-N 2 0 279.350 1.457 10 0 CDAERP CN(C(=O)NCC1([NH+](C)C)CCC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000446618888 289046520 /nfs/dbraw/zinc/04/65/20/289046520.db2.gz YJAIHVNYYXEXHR-AWEZNQCLSA-N 2 0 294.443 1.349 10 0 CDAERP C[NH+]1CCC(C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)CC1 ZINC000186494883 289869113 /nfs/dbraw/zinc/86/91/13/289869113.db2.gz YLTOQHDAGMZNEW-ZDUSSCGKSA-N 2 0 265.401 1.071 10 0 CDAERP C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1)C1C[NH2+]C1 ZINC000423025700 290016219 /nfs/dbraw/zinc/01/62/19/290016219.db2.gz PDJZTTYHXGXTAB-AMKSKSKJSA-N 2 0 295.377 1.908 10 0 CDAERP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccc2c(c1)OCC(=O)N2 ZINC000333303419 290020203 /nfs/dbraw/zinc/02/02/03/290020203.db2.gz QLKLYKOTINTJQC-GMXVVIOVSA-N 2 0 289.379 1.666 10 0 CDAERP C[C@H](O)CCC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000354742705 290070540 /nfs/dbraw/zinc/07/05/40/290070540.db2.gz YYCDESPMIIXXAT-LJISPDSOSA-N 2 0 270.417 1.331 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCn3ccnc3C2)[C@H]2CCC[C@H]21 ZINC000353669904 290224493 /nfs/dbraw/zinc/22/44/93/290224493.db2.gz KGJBARRJCRBYBF-APIJFGDWSA-N 2 0 274.412 1.660 10 0 CDAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000561170959 293057246 /nfs/dbraw/zinc/05/72/46/293057246.db2.gz YJDLCPQKDGTPDN-HUUCEWRRSA-N 2 0 281.444 1.566 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC000561225659 293066983 /nfs/dbraw/zinc/06/69/83/293066983.db2.gz NLGRLDLTCUIFJM-OLZOCXBDSA-N 2 0 255.406 1.175 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H](CN)C1CCCCC1 ZINC000423260168 293097395 /nfs/dbraw/zinc/09/73/95/293097395.db2.gz GTJBFLLNHFRIDH-UONOGXRCSA-N 2 0 257.422 1.238 10 0 CDAERP [NH3+]Cc1ccc(-c2noc([C@@H]3CCO[C@H]3C[NH3+])n2)cc1 ZINC000563117951 293280128 /nfs/dbraw/zinc/28/01/28/293280128.db2.gz DGVYYXKCYUWFPB-NEPJUHHUSA-N 2 0 274.324 1.027 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)CCCC[NH+](C)C)CC[N@@H+]1C ZINC000568820979 294104825 /nfs/dbraw/zinc/10/48/25/294104825.db2.gz VSEJDZUMJZNAJH-KGLIPLIRSA-N 2 0 269.433 1.659 10 0 CDAERP C[NH2+]C[C@H]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000571762161 294500975 /nfs/dbraw/zinc/50/09/75/294500975.db2.gz BAEPHKLJXPAPPX-GFCCVEGCSA-N 2 0 276.384 1.219 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000417028465 298565984 /nfs/dbraw/zinc/56/59/84/298565984.db2.gz OFZCPGXWVJOOEA-QLFBSQMISA-N 2 0 294.443 1.254 10 0 CDAERP C[C@H]1CN(C(=O)NC2CCC(C[NH+](C)C)CC2)CC[C@H]1[NH3+] ZINC000334923328 300137745 /nfs/dbraw/zinc/13/77/45/300137745.db2.gz HBTWJHXHTPVAIZ-VXGQWTEUSA-N 2 0 296.459 1.486 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC3(CC[NH2+]CC3)CC2)CC[NH2+]1 ZINC000335748424 300397901 /nfs/dbraw/zinc/39/79/01/300397901.db2.gz MXBSOMMCGQYEDO-KBPBESRZSA-N 2 0 279.428 1.367 10 0 CDAERP [NH3+][C@H]1CC[C@@H](C(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000336600668 303488786 /nfs/dbraw/zinc/48/87/86/303488786.db2.gz NUULGOPYEVCMEN-OLZOCXBDSA-N 2 0 265.401 1.106 10 0 CDAERP CN(C(=O)CC1CC[NH2+]CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000566206602 316514863 /nfs/dbraw/zinc/51/48/63/316514863.db2.gz TXSTYKZBQHQGMG-PBWFPOADSA-N 2 0 265.401 1.118 10 0 CDAERP CC[C@@H]1C[C@@H](CN(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC000566705594 316661696 /nfs/dbraw/zinc/66/16/96/316661696.db2.gz LPODUVUFUXCLCX-JKSUJKDBSA-N 2 0 285.476 1.617 10 0 CDAERP Cc1cnn(CC[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000575854947 317025771 /nfs/dbraw/zinc/02/57/71/317025771.db2.gz WMGDVEUVKRAXKS-HOTGVXAUSA-N 2 0 292.427 1.410 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc(CO)c(F)c2)C1 ZINC000575935098 317043568 /nfs/dbraw/zinc/04/35/68/317043568.db2.gz FPRVPRLCYKUYPJ-CHWSQXEVSA-N 2 0 252.333 1.678 10 0 CDAERP Cn1cc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c(C(F)(F)F)n1 ZINC000576648579 317181315 /nfs/dbraw/zinc/18/13/15/317181315.db2.gz PXQUPAXERAEWCO-UWVGGRQHSA-N 2 0 276.306 1.798 10 0 CDAERP [NH3+]C[C@H](NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000577368029 317314778 /nfs/dbraw/zinc/31/47/78/317314778.db2.gz MWQJUDCLHXXDIU-GJZGRUSLSA-N 2 0 294.443 1.430 10 0 CDAERP CC[NH+]1CCC(CC[NH2+][C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000183031454 323315319 /nfs/dbraw/zinc/31/53/19/323315319.db2.gz HRPYTEKBRMHYNE-CQSZACIVSA-N 2 0 288.457 1.275 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=O)N(C)CCC[NH+](C)C)C1 ZINC000184573516 323367046 /nfs/dbraw/zinc/36/70/46/323367046.db2.gz JSQLVIOQKGKSIV-CQSZACIVSA-N 2 0 284.448 1.311 10 0 CDAERP C[C@H](CNC(=O)N(C)CCC[NH+](C)C)C[NH+]1CCCCC1 ZINC000185575515 323392184 /nfs/dbraw/zinc/39/21/84/323392184.db2.gz ZBTZQNDAMWXOPR-OAHLLOKOSA-N 2 0 298.475 1.702 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC000578763164 324018884 /nfs/dbraw/zinc/01/88/84/324018884.db2.gz OCETYSBFRPWKOO-INMHGKMJSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000579267014 324146733 /nfs/dbraw/zinc/14/67/33/324146733.db2.gz XMOMQFDJVWWOLQ-UONOGXRCSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC(C)(C)C[NH+]2CCCC2)C1 ZINC000582616137 325010854 /nfs/dbraw/zinc/01/08/54/325010854.db2.gz ILYFPUCWEMXQLJ-ZDUSSCGKSA-N 2 0 267.417 1.319 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000583309793 325148904 /nfs/dbraw/zinc/14/89/04/325148904.db2.gz YVQKKWRAYKXSGK-SWLSCSKDSA-N 2 0 285.395 1.806 10 0 CDAERP C[NH+](C)CCC(=O)NC1C[NH+](CCC(C)(C)C)C1 ZINC001692228260 1175708027 /nfs/dbraw/zinc/70/80/27/1175708027.db2.gz YIJCKHMZCDBRGP-UHFFFAOYSA-N 2 0 255.406 1.175 10 0 CDAERP C[C@H](O)CCC[NH2+]C[C@H](C)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001270985148 1160234631 /nfs/dbraw/zinc/23/46/31/1160234631.db2.gz FSKRSUFACABQBA-KBPBESRZSA-N 2 0 299.459 1.068 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)[C@H]2CCCC[C@@H]2[NH3+])CC[N@@H+]1C ZINC000251724694 1160572653 /nfs/dbraw/zinc/57/26/53/1160572653.db2.gz CDARHIOVRRYLAN-NDBYEHHHSA-N 2 0 253.390 1.103 10 0 CDAERP C[NH+](C)C[C@@H](NC(=O)CC[NH2+]C1CC1)c1ccccc1 ZINC000040809224 482349624 /nfs/dbraw/zinc/34/96/24/482349624.db2.gz HILPDMOROJBTMY-OAHLLOKOSA-N 2 0 275.396 1.548 10 0 CDAERP Cn1cncc1CCC[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000314562918 482423723 /nfs/dbraw/zinc/42/37/23/482423723.db2.gz MAYSEDMHKULXHS-ZDUSSCGKSA-N 2 0 250.390 1.427 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000669514114 482534527 /nfs/dbraw/zinc/53/45/27/482534527.db2.gz XCEAMRUMLPJVSD-YUELXQCFSA-N 2 0 275.396 1.581 10 0 CDAERP CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC[C@@H]1[NH3+] ZINC000669515837 482537977 /nfs/dbraw/zinc/53/79/77/482537977.db2.gz FOXFLLCITOIEPA-FQKPHLNHSA-N 2 0 279.428 1.493 10 0 CDAERP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000673425324 482738521 /nfs/dbraw/zinc/73/85/21/482738521.db2.gz UILRTUWISXYLRA-TZMCWYRMSA-N 2 0 276.384 1.360 10 0 CDAERP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCC[C@H](OC)C2)CC1 ZINC000684368620 482776983 /nfs/dbraw/zinc/77/69/83/482776983.db2.gz BWYYGSCPCURPEB-SJORKVTESA-N 2 0 297.487 1.951 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000684390678 482788069 /nfs/dbraw/zinc/78/80/69/482788069.db2.gz KRHQXQIWFIHTJK-RRFJBIMHSA-N 2 0 272.433 1.890 10 0 CDAERP [NH3+]C/C=C/CNC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000669578460 482794432 /nfs/dbraw/zinc/79/44/32/482794432.db2.gz JYZLWYOCMURKMS-MBVDDHJVSA-N 2 0 294.443 1.598 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000669403159 482886821 /nfs/dbraw/zinc/88/68/21/482886821.db2.gz MPUPTBVOQNVFFK-MGPQQGTHSA-N 2 0 282.432 1.145 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000136423295 482918291 /nfs/dbraw/zinc/91/82/91/482918291.db2.gz MRQFWJXZACFYJS-STQMWFEESA-N 2 0 255.406 1.206 10 0 CDAERP CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089462297 483088572 /nfs/dbraw/zinc/08/85/72/483088572.db2.gz VWURDXHUMSELPC-KBPBESRZSA-N 2 0 267.417 1.162 10 0 CDAERP C[C@@H](CC[NH3+])NC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000667148674 483110685 /nfs/dbraw/zinc/11/06/85/483110685.db2.gz MNTUNWBFORXADE-JTQLQIEISA-N 2 0 274.328 1.126 10 0 CDAERP Cc1nc(C)c(C[NH+]2CCC(OCC[NH+](C)C)CC2)o1 ZINC000685564180 483162457 /nfs/dbraw/zinc/16/24/57/483162457.db2.gz XYYLNPWLTBZTKG-UHFFFAOYSA-N 2 0 281.400 1.834 10 0 CDAERP [NH3+]CCC[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000415083327 483300151 /nfs/dbraw/zinc/30/01/51/483300151.db2.gz PSBDZJNYOMXCKY-UHFFFAOYSA-N 2 0 271.364 1.335 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000136384055 483400703 /nfs/dbraw/zinc/40/07/03/483400703.db2.gz NHEJEOSPTBQHMI-AWEZNQCLSA-N 2 0 269.433 1.691 10 0 CDAERP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CO[C@H](C4CC4)C3)C2)CC1 ZINC000667860308 483462942 /nfs/dbraw/zinc/46/29/42/483462942.db2.gz LUCSTUPTURXEQH-ZOBUZTSGSA-N 2 0 293.455 1.312 10 0 CDAERP C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)CC1(CO)CC1 ZINC000668031735 483539718 /nfs/dbraw/zinc/53/97/18/483539718.db2.gz FXVIOZPHQKAIRI-UHFFFAOYSA-N 2 0 272.352 1.472 10 0 CDAERP C[NH+](C)CCCCC(=O)N1C[C@@H]2C[N@@H+](CCF)CC[C@@H]2C1 ZINC001691582178 1160706851 /nfs/dbraw/zinc/70/68/51/1160706851.db2.gz UEHFYYBPJQHUPK-CABCVRRESA-N 2 0 299.434 1.468 10 0 CDAERP CC(C)(C)[NH+]1CCN(C(=O)[C@H]2CCC[C@H](C[NH3+])C2)CC1 ZINC000055163070 518710026 /nfs/dbraw/zinc/71/00/26/518710026.db2.gz FRWFMUYPBUCMTA-KBPBESRZSA-N 2 0 281.444 1.694 10 0 CDAERP CCOCC[NH2+][C@@H]1CCCCCN(C(=O)CC[NH+](C)C)C1 ZINC001691629950 1160774029 /nfs/dbraw/zinc/77/40/29/1160774029.db2.gz ZCRXWAUJMSNBEP-OAHLLOKOSA-N 2 0 299.459 1.335 10 0 CDAERP CCC[NH2+]CCCC[N@H+](CCOC)[C@H](C)COC ZINC000052572252 519912570 /nfs/dbraw/zinc/91/25/70/519912570.db2.gz QLTWEZHWZQUFPA-CQSZACIVSA-N 2 0 260.422 1.750 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@H](C[N@@H+]2CCOCC2(C)C)O1 ZINC000052546187 519927019 /nfs/dbraw/zinc/92/70/19/519927019.db2.gz JQMKFWZMKUWDNG-UONOGXRCSA-N 2 0 270.417 1.644 10 0 CDAERP CC[NH2+][C@@H](C)Cc1nc(CC[NH+](CC)CC)no1 ZINC000061212870 520072960 /nfs/dbraw/zinc/07/29/60/520072960.db2.gz IJCYSEZKORUMHM-NSHDSACASA-N 2 0 254.378 1.494 10 0 CDAERP CCC[NH2+]CC[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001272599481 1161150420 /nfs/dbraw/zinc/15/04/20/1161150420.db2.gz TWTMIWAUFFHYGV-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP CC[NH2+][C@H]1CCCC[C@H]1N1CCC[C@@H]1C[NH+](C)C ZINC000061643601 520213443 /nfs/dbraw/zinc/21/34/43/520213443.db2.gz MKJHFLCFGMGVBF-QLFBSQMISA-N 2 0 253.434 1.933 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2cn[nH]c2)[C@H](C)C1 ZINC000459377987 1161159561 /nfs/dbraw/zinc/15/95/61/1161159561.db2.gz NTXAPSALVLIGSU-TZMCWYRMSA-N 2 0 250.390 1.614 10 0 CDAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC1(C)CC[NH+](CCF)CC1 ZINC001483976404 1161244087 /nfs/dbraw/zinc/24/40/87/1161244087.db2.gz KBMXNHPVZNAZPH-KBPBESRZSA-N 2 0 299.434 1.799 10 0 CDAERP CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001671737055 1161394332 /nfs/dbraw/zinc/39/43/32/1161394332.db2.gz WOZMBEDOFPFSJS-WBVHZDCISA-N 2 0 293.455 1.566 10 0 CDAERP C[NH2+]C[C@H]1CC[C@@H](CN2CC[NH+](C(C)(C)C)CC2)O1 ZINC000052571685 522093161 /nfs/dbraw/zinc/09/31/61/522093161.db2.gz USLYMHNXRBNQSI-KGLIPLIRSA-N 2 0 269.433 1.170 10 0 CDAERP CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C ZINC001724650231 1181715884 /nfs/dbraw/zinc/71/58/84/1181715884.db2.gz BBDLGFBGLVDYEV-STQMWFEESA-N 2 0 253.390 1.023 10 0 CDAERP CC(C)[NH+](CCNC(=O)[C@@H]1CC[C@@H](C)[C@@H]([NH3+])C1)C(C)C ZINC000055124990 519647512 /nfs/dbraw/zinc/64/75/12/519647512.db2.gz UJGOIYRXJKKVDA-KFWWJZLASA-N 2 0 283.460 1.985 10 0 CDAERP CC(C)[NH+](CCNC(=O)[C@H]1CCCC[C@@H]1[NH3+])C(C)C ZINC000055086548 519647696 /nfs/dbraw/zinc/64/76/96/519647696.db2.gz BMKICVMLOXKEBT-KBPBESRZSA-N 2 0 269.433 1.739 10 0 CDAERP CC(C)[N@H+](CCO)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052198017 519649438 /nfs/dbraw/zinc/64/94/38/519649438.db2.gz FAXDZZBKALRTHD-UHFFFAOYSA-N 2 0 270.417 1.238 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000055134787 519715673 /nfs/dbraw/zinc/71/56/73/519715673.db2.gz ZIRUGYZSOBCQKH-LSDHHAIUSA-N 2 0 283.460 1.940 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)C2(C[NH3+])CCCCC2)CC1 ZINC000055085652 519723662 /nfs/dbraw/zinc/72/36/62/519723662.db2.gz PQKYPNBWSAYQFP-UHFFFAOYSA-N 2 0 281.444 1.696 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000055082570 519724999 /nfs/dbraw/zinc/72/49/99/519724999.db2.gz IDXLSHQVJOLBMX-KGLIPLIRSA-N 2 0 267.417 1.175 10 0 CDAERP CC(C)C[NH+]1CCN(Cc2cccnc2C(N)=[NH2+])CC1 ZINC000061658419 519727014 /nfs/dbraw/zinc/72/70/14/519727014.db2.gz OHAAUIWGKFXYDH-UHFFFAOYSA-N 2 0 275.400 1.139 10 0 CDAERP CC(C)C[NH+]1CCN([C@@H](C[NH3+])Cc2ccccc2)CC1 ZINC000055078279 519727458 /nfs/dbraw/zinc/72/74/58/519727458.db2.gz SRDNENQHPGEBAV-QGZVFWFLSA-N 2 0 275.440 1.830 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc(NN)[nH+]c1 ZINC000051113590 519775711 /nfs/dbraw/zinc/77/57/11/519775711.db2.gz PBUIBNWFFAGTKE-LBPRGKRZSA-N 2 0 279.388 1.073 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)C1([NH3+])CCCCC1 ZINC000049221050 519793115 /nfs/dbraw/zinc/79/31/15/519793115.db2.gz HOJJSDIPXZGUAZ-GFCCVEGCSA-N 2 0 255.406 1.350 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)CC1CCC([NH3+])CC1 ZINC000055139164 519793243 /nfs/dbraw/zinc/79/32/43/519793243.db2.gz WGHJEQXUBSAWCT-JXQTWKCFSA-N 2 0 269.433 1.596 10 0 CDAERP CCC[NH+]1CCC(NC(=O)C[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000055141548 519844875 /nfs/dbraw/zinc/84/48/75/519844875.db2.gz IKCPQRXGJKYWNY-KBPBESRZSA-N 2 0 281.444 1.885 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@H]2CCC[C@H]([NH3+])[C@@H]2C)CC1 ZINC000055141532 519846246 /nfs/dbraw/zinc/84/62/46/519846246.db2.gz KKGFNULSFYGRFS-SNPRPXQTSA-N 2 0 281.444 1.741 10 0 CDAERP CCC[NH+]1CCN(C(=O)C[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000055124553 519856117 /nfs/dbraw/zinc/85/61/17/519856117.db2.gz MBQYRFCUJHNISF-ZIAGYGMSSA-N 2 0 267.417 1.448 10 0 CDAERP CCC[NH+]1CCN(CC[NH2+]Cc2ccccc2)CC1 ZINC000053344729 519858832 /nfs/dbraw/zinc/85/88/32/519858832.db2.gz IUKUSQDXDDEBFB-UHFFFAOYSA-N 2 0 261.413 1.804 10 0 CDAERP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](CC)Cn2cncn2)C1 ZINC000353421801 519864057 /nfs/dbraw/zinc/86/40/57/519864057.db2.gz AUJZMTHWEUGKBU-ZIAGYGMSSA-N 2 0 265.405 1.378 10 0 CDAERP CCC[NH2+]CC1(C[N@@H+]2CCC[C@@H]2CO)CCOCC1 ZINC000052183308 519910652 /nfs/dbraw/zinc/91/06/52/519910652.db2.gz UCPOIAVSZGDHMK-CQSZACIVSA-N 2 0 270.417 1.240 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000061267027 519935870 /nfs/dbraw/zinc/93/58/70/519935870.db2.gz YWRDDEZOPDZHBU-KGLIPLIRSA-N 2 0 293.411 1.778 10 0 CDAERP CCC[NH2+]C[C@H]1CCN(CC[NH+]2CCCCC2)C1 ZINC000053033068 519936359 /nfs/dbraw/zinc/93/63/59/519936359.db2.gz PJDIEHZOJVGQBA-OAHLLOKOSA-N 2 0 253.434 1.794 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC000061267652 519960129 /nfs/dbraw/zinc/96/01/29/519960129.db2.gz AEABRBISPFMEAK-LBPRGKRZSA-N 2 0 255.406 1.175 10 0 CDAERP CCC[NH2+][C@@](C)(CCC[NH+]1CCC(COC)CC1)C(N)=O ZINC000069507458 520034768 /nfs/dbraw/zinc/03/47/68/520034768.db2.gz GTDXJHRDQHAERT-INIZCTEOSA-N 2 0 299.459 1.369 10 0 CDAERP CCC[NH2+][C@](C)(C[C@@H](C)N(C)C1CC[NH+](C)CC1)C(N)=O ZINC000068621248 520109964 /nfs/dbraw/zinc/10/99/64/520109964.db2.gz OCBZIEUCSCMPRP-CZUORRHYSA-N 2 0 298.475 1.035 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000061273558 520166180 /nfs/dbraw/zinc/16/61/80/520166180.db2.gz CGWRFNSVRTZGKG-UKRRQHHQSA-N 2 0 277.412 1.794 10 0 CDAERP CC[N@H+](C)CCNC(=O)Nc1cccc([C@H](C)[NH3+])c1 ZINC000054129423 520235036 /nfs/dbraw/zinc/23/50/36/520235036.db2.gz ZGCQWIZZOMFKJW-NSHDSACASA-N 2 0 264.373 1.780 10 0 CDAERP CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261731491 534501379 /nfs/dbraw/zinc/50/13/79/534501379.db2.gz HIHZXAPYMYSQDC-YOEHRIQHSA-N 2 0 295.471 1.860 10 0 CDAERP CC[NH+](CC)CCCNC(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050940031 520611949 /nfs/dbraw/zinc/61/19/49/520611949.db2.gz RJYYKIQUBXPCRL-AWEZNQCLSA-N 2 0 269.433 1.757 10 0 CDAERP CC[NH+](CC)CCCNC(=O)c1c[nH+]c(NN)c(Cl)c1 ZINC000051096471 520620209 /nfs/dbraw/zinc/62/02/09/520620209.db2.gz ZWBKSRIOHKCBCO-UHFFFAOYSA-N 2 0 299.806 1.482 10 0 CDAERP CC[NH+](CC)C[C@@H](C)N1[C@@H]2CC[C@H]1CC([NH2+]C)C2 ZINC000054629261 520714348 /nfs/dbraw/zinc/71/43/48/520714348.db2.gz BGXPJHKDTCXVNT-FFHGMXDLSA-N 2 0 253.434 1.932 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000337333755 520857666 /nfs/dbraw/zinc/85/76/66/520857666.db2.gz ZKRWHJNEUMBKBO-ILXRZTDVSA-N 2 0 296.459 1.643 10 0 CDAERP CC[N@H+](CCOC)CCOc1ccccc1C[NH2+]C ZINC000052542704 521136185 /nfs/dbraw/zinc/13/61/85/521136185.db2.gz LFHFNZNSVNTXCK-UHFFFAOYSA-N 2 0 266.385 1.753 10 0 CDAERP CCOC(=O)[C@@](C)(N)C[C@@H](C)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000068646409 521153827 /nfs/dbraw/zinc/15/38/27/521153827.db2.gz GRQMRFKNBVHRQU-CJNGLKHVSA-N 2 0 299.459 1.319 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000055090313 521548841 /nfs/dbraw/zinc/54/88/41/521548841.db2.gz AHLPCANLYFLGEU-ZIAGYGMSSA-N 2 0 267.417 1.352 10 0 CDAERP CC[NH+]1CCC(C[NH3+])(N2CC[NH+](CC(C)C)CC2)CC1 ZINC000055078453 521549197 /nfs/dbraw/zinc/54/91/97/521549197.db2.gz FPPYDRGZFIVOND-UHFFFAOYSA-N 3 0 282.476 1.073 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]([NH3+])CC[C@@H]2C)CC1 ZINC000055129389 521555302 /nfs/dbraw/zinc/55/53/02/521555302.db2.gz GVDGRHZYIAJBMA-GZBFAFLISA-N 2 0 281.444 1.693 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000061611460 521555915 /nfs/dbraw/zinc/55/59/15/521555915.db2.gz NWNHOCGZQOIDGQ-MRXNPFEDSA-N 2 0 289.423 1.672 10 0 CDAERP CC[NH+]1CCN(C[C@H]2CC[C@@H](C[NH2+]C(C)C)O2)CC1 ZINC000052422502 521687164 /nfs/dbraw/zinc/68/71/64/521687164.db2.gz ZUJPGLHOALYYDR-LSDHHAIUSA-N 2 0 269.433 1.170 10 0 CDAERP C[NH+](C)CCOc1cc(C(N)=[NH2+])c2ccccc2n1 ZINC000068798289 521794144 /nfs/dbraw/zinc/79/41/44/521794144.db2.gz OUYOETXOPMUZNH-UHFFFAOYSA-N 2 0 258.325 1.459 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1c1ccnc(C[NH2+]C2CC2)c1 ZINC000061654178 521876215 /nfs/dbraw/zinc/87/62/15/521876215.db2.gz LATSGSXSEAJGBS-MRXNPFEDSA-N 2 0 274.412 1.864 10 0 CDAERP C[NH2+]C[C@H](c1ccccc1)N1CCC[C@@H]1C[NH+](C)C ZINC000061654576 522077697 /nfs/dbraw/zinc/07/76/97/522077697.db2.gz FDOGEHUDYQWACV-HZPDHXFCSA-N 2 0 261.413 1.973 10 0 CDAERP C[NH2+]C[C@H]1CC[C@H](C[NH+]2CCC(C[NH+](C)C)CC2)O1 ZINC000052515429 522095784 /nfs/dbraw/zinc/09/57/84/522095784.db2.gz ZEADAIHSPPCBAX-HUUCEWRRSA-N 3 0 269.433 1.027 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(CC[NH2+]C[C@H]2CCCO2)CC1 ZINC000055075584 522121993 /nfs/dbraw/zinc/12/19/93/522121993.db2.gz AARFJWNHAUNADU-HUUCEWRRSA-N 2 0 269.433 1.171 10 0 CDAERP C[NH2+]Cc1cccnc1N1CC[NH+](CC(C)C)CC1 ZINC000055082450 522139750 /nfs/dbraw/zinc/13/97/50/522139750.db2.gz FLJMXOHPARXLBP-UHFFFAOYSA-N 2 0 262.401 1.579 10 0 CDAERP C[NH2+]Cc1cn(CC[N@H+](C)[C@H](C)C(C)(C)C)nn1 ZINC000052504441 522142200 /nfs/dbraw/zinc/14/22/00/522142200.db2.gz LBDLJCTUUJLLLT-LLVKDONJSA-N 2 0 253.394 1.364 10 0 CDAERP C[NH2+]Cc1cn(CC[N@@H+]2CCC[C@@H]2C2CCCC2)nn1 ZINC000052517610 522141635 /nfs/dbraw/zinc/14/16/35/522141635.db2.gz LGUKLHKFJWFQID-OAHLLOKOSA-N 2 0 277.416 1.652 10 0 CDAERP CC[C@@H](CC[NH3+])[N@@H+]1CCCN(C(=O)C2CCOCC2)CC1 ZINC000061670902 522497206 /nfs/dbraw/zinc/49/72/06/522497206.db2.gz NNAHUKVAMQUDIY-HNNXBMFYSA-N 2 0 297.443 1.075 10 0 CDAERP C[N@H+](CCC[NH+]1CCCC1)C[C@H](O)CC(F)(F)F ZINC000337281737 522748893 /nfs/dbraw/zinc/74/88/93/522748893.db2.gz WPVPUSZRKNKNMP-LLVKDONJSA-N 2 0 268.323 1.717 10 0 CDAERP CN(C[C@@](C)([NH3+])c1ccccc1)C1CC[NH+](C)CC1 ZINC000052883232 523085894 /nfs/dbraw/zinc/08/58/94/523085894.db2.gz WLHOZJPZCJNTJG-MRXNPFEDSA-N 2 0 261.413 1.887 10 0 CDAERP COCCC[N@H+](C)C[C@H]1CC[C@@H](C[NH2+]C(C)C)O1 ZINC000062036066 523230043 /nfs/dbraw/zinc/23/00/43/523230043.db2.gz APLMABMTBAYFPY-UONOGXRCSA-N 2 0 258.406 1.500 10 0 CDAERP COCC[N@H+](C)C[C@@H]1CC[C@H](C[NH2+]C(C)(C)C)O1 ZINC000052572944 523621306 /nfs/dbraw/zinc/62/13/06/523621306.db2.gz OEROXBUPQSSJHN-OLZOCXBDSA-N 2 0 258.406 1.500 10 0 CDAERP COCC[N@H+](CCC[C@@H]1CCC[NH2+]1)[C@@H](C)COC ZINC000052764524 523695876 /nfs/dbraw/zinc/69/58/76/523695876.db2.gz LQCDULJXJNCXEN-KBPBESRZSA-N 2 0 258.406 1.502 10 0 CDAERP C[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@H](CC[NH3+])C2)CC1 ZINC000055162869 523764017 /nfs/dbraw/zinc/76/40/17/523764017.db2.gz OBXBSEXUSKJPEX-UKRRQHHQSA-N 2 0 281.444 1.600 10 0 CDAERP C[NH+](C)CC1CC[NH+](Cc2ccc(C[NH3+])o2)CC1 ZINC000052515310 524049496 /nfs/dbraw/zinc/04/94/96/524049496.db2.gz OUAMTSSTYTXJIY-UHFFFAOYSA-N 3 0 251.374 1.512 10 0 CDAERP C[C@H](CC[NH+](C)C)[NH2+]C[C@@H](O)COC1CCCC1 ZINC000049557146 524162214 /nfs/dbraw/zinc/16/22/14/524162214.db2.gz NNVPXEPCPSUUHK-CHWSQXEVSA-N 2 0 258.406 1.236 10 0 CDAERP C[C@@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000055134939 524301425 /nfs/dbraw/zinc/30/14/25/524301425.db2.gz QQBHIJGUUVXWMO-BPLDGKMQSA-N 2 0 281.444 1.550 10 0 CDAERP C[C@H]1CC[C@@H](C(=O)NCCC[NH+]2CCCC2)C[C@@H]1[NH3+] ZINC000062073336 524333327 /nfs/dbraw/zinc/33/33/27/524333327.db2.gz CKVHTPJVYWNVOT-MJBXVCDLSA-N 2 0 267.417 1.352 10 0 CDAERP C[C@@H]1CCC[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2C)[C@@H]1[NH3+] ZINC000055138649 524345926 /nfs/dbraw/zinc/34/59/26/524345926.db2.gz AGFWLNLKEYSWQF-ZOBORPQBSA-N 2 0 267.417 1.350 10 0 CDAERP C[C@@H](CCC[NH2+]C1CC1)[N@H+](C)C1CCN(C)CC1 ZINC000052419886 524458761 /nfs/dbraw/zinc/45/87/61/524458761.db2.gz XSYYVKUTLSREID-ZDUSSCGKSA-N 2 0 253.434 1.933 10 0 CDAERP C[C@H]1C[C@H](C(=O)N2CC[NH+](C(C)(C)C)CC2)CC[C@@H]1[NH3+] ZINC000055141061 524867611 /nfs/dbraw/zinc/86/76/11/524867611.db2.gz DKMIENXAINESFO-MJBXVCDLSA-N 2 0 281.444 1.693 10 0 CDAERP C[C@@H]1C[C@@H](C(=O)N2CCC([NH+](C)C)CC2)CC[C@@H]1[NH3+] ZINC000055128194 525181946 /nfs/dbraw/zinc/18/19/46/525181946.db2.gz AZONKGHUNFIMAJ-DYEKYZERSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@@H]1C[C@@H](C(=O)NCC[NH+]2CCCCC2)CC[C@@H]1[NH3+] ZINC000055138344 525187321 /nfs/dbraw/zinc/18/73/21/525187321.db2.gz BOBSJNAANPZCBD-RDBSUJKOSA-N 2 0 267.417 1.352 10 0 CDAERP C[C@@H]1C[C@@H]([NH3+])CC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000055138544 525248173 /nfs/dbraw/zinc/24/81/73/525248173.db2.gz KLMHQPFKFQHLMZ-RFGFWPKPSA-N 2 0 267.417 1.208 10 0 CDAERP Cc1ccccc1[C@H](C[NH3+])N1CCN(CC[NH+](C)C)CC1 ZINC000061642441 525424368 /nfs/dbraw/zinc/42/43/68/525424368.db2.gz JUPVLFOEQKOPCB-KRWDZBQOSA-N 2 0 290.455 1.174 10 0 CDAERP Cc1ccc([C@H]([C@@H](C)[NH3+])N2CCN(CC[NH+](C)C)CC2)o1 ZINC000061642332 525979224 /nfs/dbraw/zinc/97/92/24/525979224.db2.gz LMKAXHSCCMHKHB-ZBFHGGJFSA-N 2 0 294.443 1.156 10 0 CDAERP NC(=[NH2+])c1ccc(Cl)cc1N1CC[NH+](C2CC2)CC1 ZINC000062788888 526822267 /nfs/dbraw/zinc/82/22/67/526822267.db2.gz GBWXEPZKOLNNPY-UHFFFAOYSA-N 2 0 278.787 1.908 10 0 CDAERP [NH3+]CC1CCC(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]23)CC1 ZINC000055162648 527165231 /nfs/dbraw/zinc/16/52/31/527165231.db2.gz GTAGMISLLROLOC-HOAMVYINSA-N 2 0 265.401 1.104 10 0 CDAERP Cc1nccc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC000054790779 527337995 /nfs/dbraw/zinc/33/79/95/527337995.db2.gz WNWRFZCHHKAQTP-LQDVMPOASA-N 2 0 260.385 1.747 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H](CC(=O)N[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000055123570 527350039 /nfs/dbraw/zinc/35/00/39/527350039.db2.gz VFLBUQNXJBWKSX-MRVWCRGKSA-N 2 0 265.401 1.104 10 0 CDAERP Cn1ccnc1CC[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000052206237 527429206 /nfs/dbraw/zinc/42/92/06/527429206.db2.gz DFNZHVDTFKAIKN-ZDUSSCGKSA-N 2 0 250.390 1.427 10 0 CDAERP OC1(C[N@@H+]2CCc3sccc3C2)CC[NH2+]CC1 ZINC000051016245 527509030 /nfs/dbraw/zinc/50/90/30/527509030.db2.gz BBAJRTNAUYRAQJ-UHFFFAOYSA-N 2 0 252.383 1.221 10 0 CDAERP Cc1nn(C)c(N2CCC[C@@H]2C[NH+](C)C)c1C[NH2+]C(C)C ZINC000061646053 527676245 /nfs/dbraw/zinc/67/62/45/527676245.db2.gz YAKNYZYFKHWYEU-CQSZACIVSA-N 2 0 293.459 1.757 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)C1 ZINC000418602340 535256777 /nfs/dbraw/zinc/25/67/77/535256777.db2.gz VIPJVISMPBQZHZ-QLFBSQMISA-N 2 0 296.459 1.358 10 0 CDAERP CC1CC[NH+](CCCNC(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000091540527 535280313 /nfs/dbraw/zinc/28/03/13/535280313.db2.gz KUCOLPDOOXDSDK-KGLIPLIRSA-N 2 0 267.417 1.352 10 0 CDAERP CCOC(=O)C[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)C1CCC1 ZINC000414757183 535668112 /nfs/dbraw/zinc/66/81/12/535668112.db2.gz SCLLZMZRYPZBEO-CHWSQXEVSA-N 2 0 268.401 1.792 10 0 CDAERP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422535462 536351792 /nfs/dbraw/zinc/35/17/92/536351792.db2.gz CNKIZPQXNMMMQS-LBPRGKRZSA-N 2 0 267.417 1.365 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H](C)N1CCC[C@H](C)C1 ZINC000422859773 536850633 /nfs/dbraw/zinc/85/06/33/536850633.db2.gz KJIFDUCMNBTABE-KKUMJFAQSA-N 2 0 271.449 1.450 10 0 CDAERP CC(C)[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001691757994 1174454366 /nfs/dbraw/zinc/45/43/66/1174454366.db2.gz PNXYYLQEYOUMIN-BETUJISGSA-N 2 0 255.406 1.219 10 0 CDAERP CC(C)C[C@H]([NH2+][C@@H]1CC[C@H]1C1CC1)C(=O)NCC[NH+](C)C ZINC000348367359 538287205 /nfs/dbraw/zinc/28/72/05/538287205.db2.gz CHSNTPHJGHDXMO-XHSDSOJGSA-N 2 0 295.471 1.857 10 0 CDAERP C[NH+](C)CCN(C(=O)[C@@H]1CC[C@@H]([NH3+])C1)C1CCCC1 ZINC000091548377 538421992 /nfs/dbraw/zinc/42/19/92/538421992.db2.gz CFFRBNZXQPYKMN-CHWSQXEVSA-N 2 0 267.417 1.447 10 0 CDAERP CCCCCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](C)C1 ZINC000732276844 575085917 /nfs/dbraw/zinc/08/59/17/575085917.db2.gz TVIWNCYXWQVVQQ-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP CC(C)CN1CCO[C@H](C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925512258 617416718 /nfs/dbraw/zinc/41/67/18/617416718.db2.gz BSKNOOPCTUDXCV-OWCLPIDISA-N 2 0 297.487 1.839 10 0 CDAERP C[C@@H]1C[C@H](N[C@H]2C[C@H]([NH3+])CC(C)(C)C2)CC[N@@H+]1C ZINC000925514456 617420839 /nfs/dbraw/zinc/42/08/39/617420839.db2.gz FNIAVOONFJPFMH-RQJABVFESA-N 2 0 253.434 1.965 10 0 CDAERP CC1(C)C[C@@H]([NH2+]CCCOC[C@@H]2CCOC2)C[C@@H]([NH3+])C1 ZINC000925523871 617440377 /nfs/dbraw/zinc/44/03/77/617440377.db2.gz VRBUOEKQTJTHDA-ZNMIVQPWSA-N 2 0 284.444 1.925 10 0 CDAERP C[C@@H]1C[C@H](N[C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C[N@@H+]1C1CC1 ZINC000925541723 617484572 /nfs/dbraw/zinc/48/45/72/617484572.db2.gz MBOVHKHGXMONLW-XHXGSEDSSA-N 2 0 277.456 1.978 10 0 CDAERP Cc1nc2n(n1)C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)CC2 ZINC000925575348 617522916 /nfs/dbraw/zinc/52/29/16/617522916.db2.gz FTBWFJVLZXEFPK-UPJWGTAASA-N 2 0 277.416 1.397 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCS(=O)(=O)CC2CC2)C1 ZINC000925582506 617530342 /nfs/dbraw/zinc/53/03/42/617530342.db2.gz GGDLYGGREWARKD-CHWSQXEVSA-N 2 0 288.457 1.307 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2cnc(C3CC3)nc2)C12CCC2 ZINC000925625232 617572007 /nfs/dbraw/zinc/57/20/07/617572007.db2.gz GZJDESZUPIZULF-ZIAGYGMSSA-N 2 0 272.396 1.756 10 0 CDAERP CCO[C@H](CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)C[NH+](C)C ZINC000925841451 617872088 /nfs/dbraw/zinc/87/20/88/617872088.db2.gz RFACTEABTINCLO-KBXIAJHMSA-N 2 0 283.460 1.319 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925648940 617592123 /nfs/dbraw/zinc/59/21/23/617592123.db2.gz ZXQFAKRSAXGPTC-LSDHHAIUSA-N 3 0 285.476 1.840 10 0 CDAERP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)C(=O)N1CCCC1 ZINC000925654445 617596804 /nfs/dbraw/zinc/59/68/04/617596804.db2.gz MNDZOXWWOZJJSX-AVGNSLFASA-N 2 0 267.417 1.493 10 0 CDAERP CC(C)(C)[C@@H](O)C[C@H](CO)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925664824 617615660 /nfs/dbraw/zinc/61/56/60/617615660.db2.gz BEMGPOQZMADPIF-RQJABVFESA-N 2 0 286.460 1.640 10 0 CDAERP CC1(C)C[C@@H]([NH2+][C@@H]2C[C@@H]3CCCCN3C2=O)C[C@@H]([NH3+])C1 ZINC000925693903 617708075 /nfs/dbraw/zinc/70/80/75/617708075.db2.gz NFCDZXKXHZODPA-ZOBORPQBSA-N 2 0 279.428 1.635 10 0 CDAERP C[C@@H]1C[C@H]([N@@H+]2C[C@@]3(C)CN(C)C[C@@]3(C)C2)CCO1 ZINC000931317985 617713998 /nfs/dbraw/zinc/71/39/98/617713998.db2.gz QXCQHIPDGLRUPR-TUVASFSCSA-N 2 0 252.402 1.828 10 0 CDAERP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1cncc(F)c1 ZINC000925808713 617749609 /nfs/dbraw/zinc/74/96/09/617749609.db2.gz DLJWQBPJTBANOD-LLVKDONJSA-N 2 0 266.364 1.294 10 0 CDAERP CCCC[C@H](COC)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925814718 617764217 /nfs/dbraw/zinc/76/42/17/617764217.db2.gz LKEOMQUZLQTLKR-CQSZACIVSA-N 2 0 257.422 1.204 10 0 CDAERP Cn1nnc2c1CC[C@H]([NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)C2 ZINC000925714725 617827302 /nfs/dbraw/zinc/82/73/02/617827302.db2.gz VQLLGHCOSFXEPV-SRVKXCTJSA-N 2 0 277.416 1.168 10 0 CDAERP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000925829880 617848684 /nfs/dbraw/zinc/84/86/84/617848684.db2.gz APCLEZOGZOGBFB-FBDQPXRJSA-N 2 0 266.307 1.527 10 0 CDAERP CCO[C@H](CN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1)C[NH+](C)C ZINC000925842485 617873613 /nfs/dbraw/zinc/87/36/13/617873613.db2.gz XNHWSPHLHKKNFP-ZACQAIPSSA-N 2 0 297.487 1.711 10 0 CDAERP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CN3C[C@@H]2CCC3)C1 ZINC000926574104 618098829 /nfs/dbraw/zinc/09/88/29/618098829.db2.gz SBYFLFGXYVZUMC-QLFBSQMISA-N 2 0 251.418 1.402 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CC[C@@H]2CCCS2(=O)=O)C1 ZINC000925762027 618123220 /nfs/dbraw/zinc/12/32/20/618123220.db2.gz GEZBZTQIVQVLDM-UPJWGTAASA-N 2 0 288.457 1.449 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccnc(-c2ccccn2)n1 ZINC000925762748 618130169 /nfs/dbraw/zinc/13/01/69/618130169.db2.gz NSQOVILWEDCPHV-TZMCWYRMSA-N 2 0 283.379 1.756 10 0 CDAERP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc(O)cc(F)c1 ZINC000924995632 618571706 /nfs/dbraw/zinc/57/17/06/618571706.db2.gz ZIPWWFURYPKSDE-STQMWFEESA-N 2 0 295.402 1.818 10 0 CDAERP Cc1cc([C@H]([NH3+])CC(=O)NC2CC[NH2+]CC2)cc(Cl)n1 ZINC000832212454 618640435 /nfs/dbraw/zinc/64/04/35/618640435.db2.gz CHSIAONPMWXNGB-GFCCVEGCSA-N 2 0 296.802 1.302 10 0 CDAERP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccns1 ZINC000925040117 618825496 /nfs/dbraw/zinc/82/54/96/618825496.db2.gz GXXFIZDGGZKBJW-QWHCGFSZSA-N 2 0 294.468 1.962 10 0 CDAERP CC(C)C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)C1CCOCC1 ZINC000902813628 625465521 /nfs/dbraw/zinc/46/55/21/625465521.db2.gz FCHVUUMBLGFNHE-MRXNPFEDSA-N 2 0 298.471 1.874 10 0 CDAERP C[C@H]1[C@@H](NC(=O)N2CCC(CC[NH+](C)C)CC2)CC[N@@H+]1C ZINC000925320853 621528537 /nfs/dbraw/zinc/52/85/37/621528537.db2.gz NUAZMGOOSJILDF-ZFWWWQNUSA-N 2 0 296.459 1.452 10 0 CDAERP C[C@H]1[C@@H](NC(=O)N(C)[C@@H]2CC[NH+](C)[C@H](C)C2)CC[N@@H+]1C ZINC000925322407 621534434 /nfs/dbraw/zinc/53/44/34/621534434.db2.gz FOCDMLWWLMMRLD-RQJABVFESA-N 2 0 282.432 1.203 10 0 CDAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=[NH2+])N[C@H](C)C2CC2)C1 ZINC000899263886 622127452 /nfs/dbraw/zinc/12/74/52/622127452.db2.gz UDIXMFHJONRBTA-OCCSQVGLSA-N 2 0 282.432 1.256 10 0 CDAERP COCC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H](C)C1CC1 ZINC000899265065 622129245 /nfs/dbraw/zinc/12/92/45/622129245.db2.gz SCVHWJJCXHKJQL-DGCLKSJQSA-N 2 0 268.405 1.010 10 0 CDAERP C[C@H](NC(=[NH2+])NCC1([NH+](C)C)CCCC1)C1CC1 ZINC000899263698 622135296 /nfs/dbraw/zinc/13/52/96/622135296.db2.gz JYNJINMCUPTJNW-NSHDSACASA-N 2 0 252.406 1.773 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H](C)C1CC1 ZINC000899271743 622136475 /nfs/dbraw/zinc/13/64/75/622136475.db2.gz MLNFOJSNSGMIFI-AAEUAGOBSA-N 2 0 252.406 1.773 10 0 CDAERP C[NH+](C)C1(CNC(=O)C23CC[NH+](CC2)C3)CCCC1 ZINC000900229163 622830010 /nfs/dbraw/zinc/83/00/10/622830010.db2.gz WQBGSUMLRXDZKG-UHFFFAOYSA-N 2 0 265.401 1.073 10 0 CDAERP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)[NH+](C)C ZINC000901232044 624022573 /nfs/dbraw/zinc/02/25/73/624022573.db2.gz ACORKRMMPCTGRR-PMPSAXMXSA-N 2 0 289.423 1.888 10 0 CDAERP C1CC1[C@@H]1COC[C@@H]1[NH2+][C@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000902516038 624913437 /nfs/dbraw/zinc/91/34/37/624913437.db2.gz CBRMYZUBWSXOHJ-QXKUPLGCSA-N 2 0 280.412 1.158 10 0 CDAERP C(CC[NH2+][C@@H]1CCO[C@]12CCOC2)CC[NH+]1CCCC1 ZINC000903177050 625879546 /nfs/dbraw/zinc/87/95/46/625879546.db2.gz GYUBMYHHJWRIEF-CVEARBPZSA-N 2 0 282.428 1.790 10 0 CDAERP CC(C)C(=O)NC[C@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903433269 625990814 /nfs/dbraw/zinc/99/08/14/625990814.db2.gz XUNKYKFCEWAHFH-KFWWJZLASA-N 2 0 281.444 1.598 10 0 CDAERP Cn1cc(C[C@H]2CCC[C@H]2[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cn1 ZINC000903463647 625996228 /nfs/dbraw/zinc/99/62/28/625996228.db2.gz HTYVYYJYPXMYFV-DMRZNYOFSA-N 2 0 276.428 1.848 10 0 CDAERP COCc1ncc2c(n1)CC[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C2 ZINC000903477262 626005348 /nfs/dbraw/zinc/00/53/48/626005348.db2.gz WQZOLCMKQVUUOF-YPMHNXCESA-N 2 0 276.384 1.109 10 0 CDAERP C[C@@H]1C[N@@H+]([C@@H]2CCc3ccccc3NC2=O)C[C@H]1CC[NH3+] ZINC000903498754 626008913 /nfs/dbraw/zinc/00/89/13/626008913.db2.gz CVDOHAGMRVHZSG-XNRPHZJLSA-N 2 0 287.407 1.857 10 0 CDAERP Cc1nc([C@H]2CC[N@H+](CC[C@H]3CC[NH2+]C3)C2)no1 ZINC000903490813 626010748 /nfs/dbraw/zinc/01/07/48/626010748.db2.gz JIAJPFJJFYJAFY-NEPJUHHUSA-N 2 0 250.346 1.167 10 0 CDAERP CCO[C@@H](C)c1noc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)n1 ZINC000903496971 626012086 /nfs/dbraw/zinc/01/20/86/626012086.db2.gz LMHIMWLPBOCSEG-GRYCIOLGSA-N 2 0 282.388 1.584 10 0 CDAERP C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496518 626012196 /nfs/dbraw/zinc/01/21/96/626012196.db2.gz QSWMFGXRHQXJHD-IBEHDNSVSA-N 2 0 295.471 1.987 10 0 CDAERP CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](CC[C@H]3CC[NH2+]C3)C[C@@H]21 ZINC000903563401 626020075 /nfs/dbraw/zinc/02/00/75/626020075.db2.gz BFLAFXZYGCCNCZ-YIYPIFLZSA-N 2 0 266.385 1.117 10 0 CDAERP Cc1c(C[C@H](C[NH3+])CN2CCCC[C@@H]2[C@@H](C)[NH3+])cnn1C ZINC000903874325 626128522 /nfs/dbraw/zinc/12/85/22/626128522.db2.gz YAVFFDUOUPFXEC-XNRPHZJLSA-N 2 0 293.459 1.048 10 0 CDAERP CC[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)C[C@H]1CCOC1 ZINC000903883903 626132303 /nfs/dbraw/zinc/13/23/03/626132303.db2.gz LQRPQQRBQCQEIV-ZIAGYGMSSA-N 2 0 293.415 1.061 10 0 CDAERP COC(=O)[C@@H]1CC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000903883947 626132616 /nfs/dbraw/zinc/13/26/16/626132616.db2.gz MUZQJRVHNFUAPD-CQSZACIVSA-N 2 0 274.364 1.327 10 0 CDAERP C[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H](CO)C(C)(C)C ZINC000903897701 626137134 /nfs/dbraw/zinc/13/71/34/626137134.db2.gz IRLRPDHPKDIVNA-WTUNAVPPSA-N 2 0 254.418 1.856 10 0 CDAERP c1nnn([C@@H]2CCC[NH2+]C2)c1C[NH2+]CCc1ccccc1 ZINC000903922875 626148292 /nfs/dbraw/zinc/14/82/92/626148292.db2.gz GKKFYHUKPXRDPN-OAHLLOKOSA-N 2 0 285.395 1.535 10 0 CDAERP c1nnn([C@@H]2CCC[NH2+]C2)c1C[NH2+]CC1CCCCC1 ZINC000903928194 626149554 /nfs/dbraw/zinc/14/95/54/626149554.db2.gz XIXFFLYUEINASJ-CQSZACIVSA-N 2 0 277.416 1.873 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1c1nc(CC2CC[NH2+]CC2)no1 ZINC000905312934 626743697 /nfs/dbraw/zinc/74/36/97/626743697.db2.gz HBSHERJLVRVTHA-GXSJLCMTSA-N 2 0 250.346 1.077 10 0 CDAERP CN(CC[N@H+](C)C1CC1)C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC000907447593 627677178 /nfs/dbraw/zinc/67/71/78/627677178.db2.gz IPDKBMITZPVAJQ-HUUCEWRRSA-N 2 0 279.428 1.556 10 0 CDAERP C[NH+](C)[C@H](CC(=O)NC1CC([NH+](C)C)C1)c1ccccc1 ZINC000908010346 627971822 /nfs/dbraw/zinc/97/18/22/627971822.db2.gz WHTWSRHEOUOQFN-UYSNPLJNSA-N 2 0 289.423 1.888 10 0 CDAERP CC[N@@H+]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](C)C1 ZINC000910264195 628935756 /nfs/dbraw/zinc/93/57/56/628935756.db2.gz BYEJYDRTJYOYNX-KBPBESRZSA-N 2 0 267.417 1.271 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)C[C@]1(O)CCC[NH+](C)C1 ZINC000912718754 630166647 /nfs/dbraw/zinc/16/66/47/630166647.db2.gz AKNFUKZOWFSETM-MRXNPFEDSA-N 2 0 299.459 1.070 10 0 CDAERP CC1CC[NH+](CC(=O)N2CC[C@H]([NH+]3CCC3)C2)CC1 ZINC000912913143 630281140 /nfs/dbraw/zinc/28/11/40/630281140.db2.gz HOUMKTMYXPLDQM-AWEZNQCLSA-N 2 0 265.401 1.025 10 0 CDAERP CC[NH+](CC)CC(=O)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000913282531 630433462 /nfs/dbraw/zinc/43/34/62/630433462.db2.gz HXRBJRSIHCAECD-GASCZTMLSA-N 2 0 267.417 1.128 10 0 CDAERP C[NH+](C)C1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000913398104 630466462 /nfs/dbraw/zinc/46/64/62/630466462.db2.gz UBHYIKSXTPVFCD-CYBMUJFWSA-N 2 0 267.417 1.413 10 0 CDAERP C[C@@H]1[C@H](NC(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)CC[N@@H+]1C ZINC000914151312 631070065 /nfs/dbraw/zinc/07/00/65/631070065.db2.gz ZWKNUPNAFZVSKV-AAVRWANBSA-N 2 0 280.416 1.005 10 0 CDAERP CC(=O)NCCCCC[N@@H+](C)CCCn1ccnc1C ZINC000930061097 632516564 /nfs/dbraw/zinc/51/65/64/632516564.db2.gz PZOKJFLQQLRSLP-UHFFFAOYSA-N 2 0 280.416 1.820 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@H]1CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001691054931 1158846817 /nfs/dbraw/zinc/84/68/17/1158846817.db2.gz DRPMXKKCTMIJER-HNNXBMFYSA-N 2 0 293.455 1.827 10 0 CDAERP C[NH+](C)C1(C(=O)NC[C@H]2C[C@H]([NH2+]CCCF)C2)CCC1 ZINC001691149843 1158933655 /nfs/dbraw/zinc/93/36/55/1158933655.db2.gz ZSIWNQLWADLUDR-JOCQHMNTSA-N 2 0 285.407 1.315 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001690340712 1175443816 /nfs/dbraw/zinc/44/38/16/1175443816.db2.gz ARGSKCMQYPRNOL-XJFOESAGSA-N 2 0 290.411 1.940 10 0 CDAERP COCC[NH2+]CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001268402324 1159925979 /nfs/dbraw/zinc/92/59/79/1159925979.db2.gz GNOBSORZJWPCNZ-HUUCEWRRSA-N 2 0 299.459 1.382 10 0 CDAERP CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001280095399 1160075777 /nfs/dbraw/zinc/07/57/77/1160075777.db2.gz QGVARGRNUJSUEN-CHWSQXEVSA-N 2 0 255.406 1.175 10 0 CDAERP C[NH+](C)C[C@@H]1CN(c2ncccc2Cl)C[C@H]1C[NH+](C)C ZINC000866011355 1164721382 /nfs/dbraw/zinc/72/13/82/1164721382.db2.gz DESRVMNXDHEZJC-CHWSQXEVSA-N 2 0 296.846 1.911 10 0 CDAERP Cc1ccnc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000866012310 1164721890 /nfs/dbraw/zinc/72/18/90/1164721890.db2.gz XQQMNQUCBOQQDD-HUUCEWRRSA-N 2 0 276.428 1.566 10 0 CDAERP C[C@@H](NC(=O)CC[N@@H+]1CC[C@H](F)C1)C1=CC[NH+](C)CC1 ZINC001632701614 1166369944 /nfs/dbraw/zinc/36/99/44/1166369944.db2.gz OOIBWPGGQXWJRA-OCCSQVGLSA-N 2 0 283.391 1.187 10 0 CDAERP CC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001640213826 1167007235 /nfs/dbraw/zinc/00/72/35/1167007235.db2.gz MDHLWSDQZJDTJR-KBPBESRZSA-N 2 0 267.417 1.176 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC=C(C)C)[C@@H]1C ZINC001691747990 1167354314 /nfs/dbraw/zinc/35/43/14/1167354314.db2.gz JEXIEUJVZUOBLN-CABCVRRESA-N 2 0 281.444 1.873 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H](C)CC[NH+](C)C ZINC001565563265 1168155098 /nfs/dbraw/zinc/15/50/98/1168155098.db2.gz ZFKDGBLVSNCKGR-OLZOCXBDSA-N 2 0 257.422 1.421 10 0 CDAERP COCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCCN2C)C1 ZINC001567764397 1168957522 /nfs/dbraw/zinc/95/75/22/1168957522.db2.gz ZNOQJQFELUSJGS-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CC/C=C/CC[NH2+]C[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001568203184 1169175442 /nfs/dbraw/zinc/17/54/42/1169175442.db2.gz YSEYEPDBNIWYTL-RGDDUWESSA-N 2 0 293.455 1.780 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001649891500 1169472444 /nfs/dbraw/zinc/47/24/44/1169472444.db2.gz LUKWZQVOTPAFQU-FQIARQCESA-N 2 0 274.355 1.762 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001568999147 1169587263 /nfs/dbraw/zinc/58/72/63/1169587263.db2.gz KXTWUDYSZHPVFO-IJLUTSLNSA-N 2 0 261.385 1.169 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)C1C[NH+](CC(C)C)C1 ZINC001569504702 1169903420 /nfs/dbraw/zinc/90/34/20/1169903420.db2.gz SXPYGFSQKXTJPO-UHFFFAOYSA-N 2 0 255.406 1.127 10 0 CDAERP CC(C)OCC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001569847762 1170016295 /nfs/dbraw/zinc/01/62/95/1170016295.db2.gz XLXYRNQNWCEWBQ-GJZGRUSLSA-N 2 0 299.459 1.047 10 0 CDAERP CC[NH2+]CCC[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001571271117 1170357440 /nfs/dbraw/zinc/35/74/40/1170357440.db2.gz QOJRAJNYKKHTJH-GFCCVEGCSA-N 2 0 255.406 1.365 10 0 CDAERP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[NH2+]CCF ZINC001656447969 1171825444 /nfs/dbraw/zinc/82/54/44/1171825444.db2.gz KYEPKEXEFWLUFT-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP Cc1c(C(=O)N(C)CC[NH2+]CC2CC2)ccc2c[nH+]cn21 ZINC001664036069 1172803155 /nfs/dbraw/zinc/80/31/55/1172803155.db2.gz ANWHPEBXXDGNJK-UHFFFAOYSA-N 2 0 286.379 1.714 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001666903417 1173205333 /nfs/dbraw/zinc/20/53/33/1173205333.db2.gz SDCMCVKETXXUMW-GOEBONIOSA-N 2 0 295.471 1.811 10 0 CDAERP CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001666977715 1173215373 /nfs/dbraw/zinc/21/53/73/1173215373.db2.gz WGCGBYMAZIBWBH-XQQFMLRXSA-N 2 0 255.406 1.173 10 0 CDAERP CCN(CC[NH2+]Cc1nc(C)cs1)C(=O)CC[NH+](C)C ZINC001668542811 1173426039 /nfs/dbraw/zinc/42/60/39/1173426039.db2.gz YKSSAJAYYXWLSB-UHFFFAOYSA-N 2 0 298.456 1.341 10 0 CDAERP CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001676782581 1174271838 /nfs/dbraw/zinc/27/18/38/1174271838.db2.gz HNAYYNOUJMQKCB-LSDHHAIUSA-N 2 0 281.444 1.851 10 0 CDAERP CCOCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001690464193 1175477556 /nfs/dbraw/zinc/47/75/56/1175477556.db2.gz RIVFHUVMQLVBIF-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CCC[NH2+][C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001690586577 1175514288 /nfs/dbraw/zinc/51/42/88/1175514288.db2.gz GBAKNLRVZDVCNY-CHWSQXEVSA-N 2 0 255.406 1.365 10 0 CDAERP CC/C=C/CC[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001690755587 1175565679 /nfs/dbraw/zinc/56/56/79/1175565679.db2.gz IQPGKHLOBMIUNY-QDLOVBKTSA-N 2 0 293.455 1.877 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC(CC[NH2+]CCF)CC2)C1 ZINC001698703068 1175898729 /nfs/dbraw/zinc/89/87/29/1175898729.db2.gz FBVDGXKFGRCHAV-CQSZACIVSA-N 2 0 299.434 1.516 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CCC(CC[NH2+]CCF)CC2)C1 ZINC001698703066 1175899135 /nfs/dbraw/zinc/89/91/35/1175899135.db2.gz FBVDGXKFGRCHAV-AWEZNQCLSA-N 2 0 299.434 1.516 10 0 CDAERP C[C@@H](C[NH2+]CCF)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001698840693 1175958590 /nfs/dbraw/zinc/95/85/90/1175958590.db2.gz BFWTVFVGEJYZFG-AVGNSLFASA-N 2 0 273.396 1.123 10 0 CDAERP C[C@@H](CC[NH2+]CCF)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001699147018 1176111470 /nfs/dbraw/zinc/11/14/70/1176111470.db2.gz CNHLMXHFJZNMGF-ZDUSSCGKSA-N 2 0 299.434 1.562 10 0 CDAERP CC[C@@H](F)C[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001699294973 1176202900 /nfs/dbraw/zinc/20/29/00/1176202900.db2.gz DMRSFSRZJFYXPX-CYSUXKILSA-N 2 0 299.434 1.727 10 0 CDAERP C[C@H](C[NH2+]CC1=CCCCC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001699355621 1176306210 /nfs/dbraw/zinc/30/62/10/1176306210.db2.gz BXJDMCJMZIRNOI-HIFRSBDPSA-N 2 0 279.428 1.675 10 0 CDAERP C[C@H](C[NH2+]C/C=C/Cl)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001699362679 1176316739 /nfs/dbraw/zinc/31/67/39/1176316739.db2.gz FPQWNIYXMIRBEP-GNFOSSQUSA-N 2 0 285.819 1.175 10 0 CDAERP CC(C)[NH2+]CCCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001699550533 1176471820 /nfs/dbraw/zinc/47/18/20/1176471820.db2.gz FYHPENWAJRVRMC-OKILXGFUSA-N 2 0 269.433 1.706 10 0 CDAERP CC[C@H](C(=O)NC[C@H]1CC[N@@H+]1CC1CCC1)[NH+](C)C ZINC001699629876 1176527470 /nfs/dbraw/zinc/52/74/70/1176527470.db2.gz XJZMBKRLZADISB-ZIAGYGMSSA-N 2 0 267.417 1.317 10 0 CDAERP CC(C)[NH2+]C1(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001699670447 1176562644 /nfs/dbraw/zinc/56/26/44/1176562644.db2.gz JLADSMSNCMYCJA-STQMWFEESA-N 2 0 267.417 1.506 10 0 CDAERP CCCCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001700276528 1176829845 /nfs/dbraw/zinc/82/98/45/1176829845.db2.gz HIDSOHQENKSYAB-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC2CC(C[NH2+]C/C=C\Cl)C2)C1 ZINC001700397826 1176904682 /nfs/dbraw/zinc/90/46/82/1176904682.db2.gz RDDZMSYJGDZMDG-FTMLYGMXSA-N 2 0 299.846 1.565 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@@H]1[C@H]2C[NH+](C(C)C)C[C@H]21 ZINC001700594120 1177029822 /nfs/dbraw/zinc/02/98/22/1177029822.db2.gz YKVCOHUHVTZFCO-ZSOGYDGISA-N 2 0 267.417 1.031 10 0 CDAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CCCF ZINC001700750490 1177113934 /nfs/dbraw/zinc/11/39/34/1177113934.db2.gz ALYZSHHDLBOILI-KBPBESRZSA-N 2 0 287.423 1.655 10 0 CDAERP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]C/C=C/Cl ZINC001700766280 1177121791 /nfs/dbraw/zinc/12/17/91/1177121791.db2.gz FVKUQAPICKOXHB-OKPNEXGHSA-N 2 0 261.797 1.127 10 0 CDAERP CC[C@@H](F)C[N@H+](C)CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001707419534 1178033045 /nfs/dbraw/zinc/03/30/45/1178033045.db2.gz XFMKPGIXANPEJU-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@H]([NH2+]CCCF)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001707445317 1178047893 /nfs/dbraw/zinc/04/78/93/1178047893.db2.gz UBLDDQHGKHPYQP-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP [NH3+][C@H]1CCCC[C@@H]1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159842484 1178249448 /nfs/dbraw/zinc/24/94/48/1178249448.db2.gz MTYMGSPNRJEELH-GJZGRUSLSA-N 2 0 279.428 1.495 10 0 CDAERP CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001712998015 1178291974 /nfs/dbraw/zinc/29/19/74/1178291974.db2.gz BGWIRDHWCUCTBJ-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP COCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001713147235 1178395452 /nfs/dbraw/zinc/39/54/52/1178395452.db2.gz CMQHVQYGHTZKOY-GJZGRUSLSA-N 2 0 297.443 1.086 10 0 CDAERP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]([NH2+]CC2CCC2)C1 ZINC001713173257 1178412575 /nfs/dbraw/zinc/41/25/75/1178412575.db2.gz VBAMBAKFSPILIR-SHTZXODSSA-N 2 0 281.444 1.755 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001713175465 1178413566 /nfs/dbraw/zinc/41/35/66/1178413566.db2.gz DESURRUZHSPIAY-SHTZXODSSA-N 2 0 281.444 1.899 10 0 CDAERP CC(C)CCC[NH2+][C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001713311088 1178489085 /nfs/dbraw/zinc/48/90/85/1178489085.db2.gz INHIUWWKLGWPOH-HOCLYGCPSA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CCNC(=O)CC[NH+](C)C ZINC001713416319 1178549184 /nfs/dbraw/zinc/54/91/84/1178549184.db2.gz SKNHJEIEBPFIMC-CYBMUJFWSA-N 2 0 255.406 1.389 10 0 CDAERP CC(C)CCC[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001713477358 1178592340 /nfs/dbraw/zinc/59/23/40/1178592340.db2.gz MOFBTJAFWZXQPV-AWEZNQCLSA-N 2 0 269.433 1.422 10 0 CDAERP CCCCC[N@@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001714043629 1178943590 /nfs/dbraw/zinc/94/35/90/1178943590.db2.gz XPEGIXSTPKORAA-OAHLLOKOSA-N 2 0 283.460 1.957 10 0 CDAERP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CCF ZINC001714391828 1179120852 /nfs/dbraw/zinc/12/08/52/1179120852.db2.gz WQNKRWMJUSXAEH-STQMWFEESA-N 2 0 273.396 1.171 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C[NH2+]CCC1CC1 ZINC001714423003 1179132973 /nfs/dbraw/zinc/13/29/73/1179132973.db2.gz NBCUXDJVKJAMAN-YCPHGPKFSA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)[C@H](C(=O)NC[C@H](C)C[NH2+]CCF)[NH+]1CCCC1 ZINC001714452291 1179145895 /nfs/dbraw/zinc/14/58/95/1179145895.db2.gz HTCAZRAGCUMAAO-ZIAGYGMSSA-N 2 0 287.423 1.418 10 0 CDAERP CC[NH2+]C[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001714454967 1179146522 /nfs/dbraw/zinc/14/65/22/1179146522.db2.gz VLUCAMVJULEUAL-ZIAGYGMSSA-N 2 0 269.433 1.469 10 0 CDAERP CC(C)[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001714750183 1179374419 /nfs/dbraw/zinc/37/44/19/1179374419.db2.gz BSLXNCGBADUPTR-STQMWFEESA-N 2 0 255.406 1.173 10 0 CDAERP C[C@@H](C[NH2+]CCC1CC1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001714750993 1179376196 /nfs/dbraw/zinc/37/61/96/1179376196.db2.gz PGRSOBWSCUORBB-KGLIPLIRSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@H](C)C[NH2+]CCN(C)C(=O)[C@H](C)Cc1c[nH]cn1 ZINC001714767244 1179387055 /nfs/dbraw/zinc/38/70/55/1179387055.db2.gz KPOHVVZEFBUOHB-QWHCGFSZSA-N 2 0 280.416 1.682 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]CCOC(C)C ZINC001714798806 1179402490 /nfs/dbraw/zinc/40/24/90/1179402490.db2.gz WHOWPERDCQPBPH-OAHLLOKOSA-N 2 0 299.459 1.334 10 0 CDAERP CCOCCC[NH2+]C[C@@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001715354274 1179639504 /nfs/dbraw/zinc/63/95/04/1179639504.db2.gz MCYKOAOJRVAKAD-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001715729015 1179782890 /nfs/dbraw/zinc/78/28/90/1179782890.db2.gz LGYMZQHSBZRPIX-KGLIPLIRSA-N 2 0 269.433 1.325 10 0 CDAERP CCN(CC[NH2+]CCC1CC1)C(=O)CC1CC[NH+](C)CC1 ZINC001715762650 1179795078 /nfs/dbraw/zinc/79/50/78/1179795078.db2.gz MSTYSOUFXUOSGL-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CC1CC(C[NH2+]C/C=C/CNC(=O)C[NH+]2CCCC2)C1 ZINC001715908075 1179907559 /nfs/dbraw/zinc/90/75/59/1179907559.db2.gz LIOUIZBBFYIWTB-NSCUHMNNSA-N 2 0 279.428 1.390 10 0 CDAERP C[C@H](C[NH2+]CC[C@H]1CCCO1)NC(=O)C1([NH+](C)C)CCC1 ZINC001715934006 1179927779 /nfs/dbraw/zinc/92/77/79/1179927779.db2.gz VMEGRHVQUAHUMG-ZIAGYGMSSA-N 2 0 297.443 1.134 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]CCCF)CC[N@@H+]1C ZINC001715975364 1179957373 /nfs/dbraw/zinc/95/73/73/1179957373.db2.gz ASGZTXQIWNZLFR-RWMBFGLXSA-N 2 0 273.396 1.171 10 0 CDAERP CC(C)CCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CN(C)CCO1 ZINC001716128877 1180060017 /nfs/dbraw/zinc/06/00/17/1180060017.db2.gz RKCWGFZESDYIMX-LSDHHAIUSA-N 2 0 299.459 1.238 10 0 CDAERP CCN(CC[NH2+]CCC1CC1)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001716235575 1180113889 /nfs/dbraw/zinc/11/38/89/1180113889.db2.gz PEQANUCASMTQOJ-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP CC[NH2+]C1(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001716701093 1180377081 /nfs/dbraw/zinc/37/70/81/1180377081.db2.gz WTWONBBNVKFVEK-RYUDHWBXSA-N 2 0 253.390 1.118 10 0 CDAERP CCC[NH2+]C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CCO1 ZINC001717173036 1180561052 /nfs/dbraw/zinc/56/10/52/1180561052.db2.gz ULQLPUWAHTUOMF-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CCCC[NH2+]CC1(NC(=O)[C@@H](CC)[NH+](C)C)CCOCC1 ZINC001717267868 1180595018 /nfs/dbraw/zinc/59/50/18/1180595018.db2.gz DRCAVEVHAHKPMV-CQSZACIVSA-N 2 0 299.459 1.382 10 0 CDAERP CC(C)OCCC[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001717285801 1180604544 /nfs/dbraw/zinc/60/45/44/1180604544.db2.gz KCPQDWGURPRMQX-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP Cn1cncc1CC(=O)NC1CC(C[NH2+]C/C=C\Cl)C1 ZINC001717393636 1180645112 /nfs/dbraw/zinc/64/51/12/1180645112.db2.gz GMYBNKXIRPKDQP-IHWYPQMZSA-N 2 0 296.802 1.200 10 0 CDAERP CCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001717473636 1180694224 /nfs/dbraw/zinc/69/42/24/1180694224.db2.gz UYMJQVLYCMOLKI-JSGCOSHPSA-N 2 0 267.417 1.175 10 0 CDAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH+](C)CC1CC1 ZINC001717487274 1180702852 /nfs/dbraw/zinc/70/28/52/1180702852.db2.gz HNRPXVGITBBOOM-QWHCGFSZSA-N 2 0 267.417 1.175 10 0 CDAERP CCC[NH2+]CCCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001723204610 1181525539 /nfs/dbraw/zinc/52/55/39/1181525539.db2.gz SUWYRIMRNPWSHW-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H](C[NH2+]CCF)C1CC1)[NH+](C)C ZINC001723342697 1181541211 /nfs/dbraw/zinc/54/12/11/1181541211.db2.gz JUBGHMGDOXDFHN-OLZOCXBDSA-N 2 0 273.396 1.027 10 0 CDAERP CC(C)=CC[NH+](C)[C@@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001725180958 1181909240 /nfs/dbraw/zinc/90/92/40/1181909240.db2.gz MXLDOHFMPQBFNI-CABCVRRESA-N 2 0 281.444 1.731 10 0 CDAERP CC(C)OCCC[NH2+][C@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001725582508 1182060964 /nfs/dbraw/zinc/06/09/64/1182060964.db2.gz BJALPYWDRRWKDA-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP CCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@H+](C)CCC)C1 ZINC001725603301 1182070010 /nfs/dbraw/zinc/07/00/10/1182070010.db2.gz ZOGAFHDMXRPYLQ-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001731467348 1182400464 /nfs/dbraw/zinc/40/04/64/1182400464.db2.gz HMZQBHFHXONKSN-UONOGXRCSA-N 2 0 267.417 1.271 10 0 CDAERP CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001731557560 1182448127 /nfs/dbraw/zinc/44/81/27/1182448127.db2.gz GNUXYJJEQJEJOR-ZIAGYGMSSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)=CC[N@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001731772692 1182568230 /nfs/dbraw/zinc/56/82/30/1182568230.db2.gz LFKWMVFAWZFTGP-UHFFFAOYSA-N 2 0 267.417 1.485 10 0 CDAERP CCOCC[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001731786277 1182577194 /nfs/dbraw/zinc/57/71/94/1182577194.db2.gz PATUDSKGXCDTIR-OAHLLOKOSA-N 2 0 299.459 1.334 10 0 CDAERP CC/C=C/CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001731838754 1182617733 /nfs/dbraw/zinc/61/77/33/1182617733.db2.gz UKIOIUNDURXEPY-CGFBPQRUSA-N 2 0 293.455 1.875 10 0 CDAERP CCOCC[NH2+]CCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001731960430 1182700149 /nfs/dbraw/zinc/70/01/49/1182700149.db2.gz GXFCOGHPQRGQPV-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CN(CC[NH2+]CCC1CCCCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001731984795 1182714255 /nfs/dbraw/zinc/71/42/55/1182714255.db2.gz ZEFPWHZDIBRYFZ-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)[N@H+](CCO)CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001732015527 1182727392 /nfs/dbraw/zinc/72/73/92/1182727392.db2.gz AELCAONSKREEJN-GJZGRUSLSA-N 2 0 299.459 1.068 10 0 CDAERP CC[N@H+](C)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001732087280 1182758251 /nfs/dbraw/zinc/75/82/51/1182758251.db2.gz KMQZPEMZZIWUAA-UHFFFAOYSA-N 2 0 255.406 1.128 10 0 CDAERP CCC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001732199858 1182853106 /nfs/dbraw/zinc/85/31/06/1182853106.db2.gz SBYSPIHQFWJERV-UONOGXRCSA-N 2 0 269.433 1.754 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)[NH2+]CCCF ZINC001732221532 1182867014 /nfs/dbraw/zinc/86/70/14/1182867014.db2.gz KDDKHUXYPXALAJ-KGLIPLIRSA-N 2 0 287.423 1.705 10 0 CDAERP CCC[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001732448884 1182970647 /nfs/dbraw/zinc/97/06/47/1182970647.db2.gz PZTMSFPWYXCYMS-CQSZACIVSA-N 2 0 269.433 1.565 10 0 CDAERP CCCC[N@H+](C)CCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001732594245 1183036409 /nfs/dbraw/zinc/03/64/09/1183036409.db2.gz HMFVJVATPFFTFX-AWEZNQCLSA-N 2 0 269.433 1.519 10 0 CDAERP C[C@H](CC[NH2+]C/C=C\Cl)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001732728767 1183101808 /nfs/dbraw/zinc/10/18/08/1183101808.db2.gz MNGJBFOCVUSKCU-WKSPHBBESA-N 2 0 287.835 1.565 10 0 CDAERP CCC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001732783513 1183124576 /nfs/dbraw/zinc/12/45/76/1183124576.db2.gz KBRWUNXFXUBJOP-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP O=C(NC/C=C\C[NH2+]CCC1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001732851908 1183157886 /nfs/dbraw/zinc/15/78/86/1183157886.db2.gz XQCOCVOCZGVLAG-AIMAZDRCSA-N 2 0 291.439 1.390 10 0 CDAERP CC[C@@H](C)C[NH2+]C/C=C/CNC(=O)C12CCC[NH+]1CCC2 ZINC001732873574 1183166525 /nfs/dbraw/zinc/16/65/25/1183166525.db2.gz LWOLMBFOUGRMFE-MBVDDHJVSA-N 2 0 293.455 1.923 10 0 CDAERP CC[C@@H](F)C[NH2+]C/C=C\CNC(=O)C1CC[NH+](C)CC1 ZINC001732895952 1183175102 /nfs/dbraw/zinc/17/51/02/1183175102.db2.gz WWNFFUALOCLWFJ-ZRUQZJFASA-N 2 0 285.407 1.338 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001732957673 1183205413 /nfs/dbraw/zinc/20/54/13/1183205413.db2.gz HTQRQLGRELLQOZ-CYBMUJFWSA-N 2 0 267.417 1.531 10 0 CDAERP CN(CCC[NH2+]CC1CC(C)(C)C1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001733093491 1183287773 /nfs/dbraw/zinc/28/77/73/1183287773.db2.gz WTZWGYQLNLUECD-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC ZINC001734039953 1183630143 /nfs/dbraw/zinc/63/01/43/1183630143.db2.gz UWZOLQPMTZYVST-OLZOCXBDSA-N 2 0 255.406 1.317 10 0 CDAERP CC(C)[NH2+]CCC[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001734258310 1183706716 /nfs/dbraw/zinc/70/67/16/1183706716.db2.gz CIXMWDWPLKQZNC-ZIAGYGMSSA-N 2 0 269.433 1.611 10 0 CDAERP CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001734331628 1183735713 /nfs/dbraw/zinc/73/57/13/1183735713.db2.gz OUPJCUPQODYADW-UONOGXRCSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)C[NH2+][C@H](C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001734345030 1183740420 /nfs/dbraw/zinc/74/04/20/1183740420.db2.gz RVASIWUNHOBAEE-UONOGXRCSA-N 2 0 269.433 1.421 10 0 CDAERP CN(Cc1ccccc1)C[C@H](O)C[N@H+](C)C[C@@H]1CCOC1 ZINC000304767201 1186632451 /nfs/dbraw/zinc/63/24/51/1186632451.db2.gz VYDCVZMUEREASM-IRXDYDNUSA-N 2 0 292.423 1.448 10 0 CDAERP CCN1CCC([N@H+](C)CC2CCC(O)CC2)CC1 ZINC000311127478 1186681361 /nfs/dbraw/zinc/68/13/61/1186681361.db2.gz QAEDWCGHDCCSED-UHFFFAOYSA-N 2 0 254.418 1.954 10 0 CDAERP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H](O)CCC2(O)CCC2)CC1 ZINC001771952297 1186977935 /nfs/dbraw/zinc/97/79/35/1186977935.db2.gz QOIZAJWHIWWESQ-CABCVRRESA-N 2 0 284.444 1.459 10 0 CDAERP CCC[NH+]1CCN(C(=O)[C@@H](C)CC[NH+](C)C)CC1 ZINC001143746499 1164243620 /nfs/dbraw/zinc/24/36/20/1164243620.db2.gz FANNMJXMBMXMJZ-ZDUSSCGKSA-N 2 0 255.406 1.128 10 0 CDAERP C[C@H]1C[C@@H]1NC(=[NH2+])NCCC[NH+]1CCC(C)CC1 ZINC000864450732 1164543121 /nfs/dbraw/zinc/54/31/21/1164543121.db2.gz SBAOQIVYIJNVEL-STQMWFEESA-N 2 0 252.406 1.631 10 0 CDAERP [NH3+]CCCCCC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000843508392 730420944 /nfs/dbraw/zinc/42/09/44/730420944.db2.gz RWEIFPJTDSYPJU-HNNXBMFYSA-N 2 0 275.396 1.590 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)[C@H]2C[C@]23CCC[NH2+]C3)C1 ZINC000870989118 730422554 /nfs/dbraw/zinc/42/25/54/730422554.db2.gz FMCMRPOGNBRHJL-COXVUDFISA-N 2 0 293.455 1.600 10 0 CDAERP C(CC[NH+]1CCOCC1)C[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000921538673 730430447 /nfs/dbraw/zinc/43/04/47/730430447.db2.gz WQMTVZOFOGEENP-GVDBMIGSSA-N 2 0 296.455 1.894 10 0 CDAERP C[C@@H]1CN(C(=[NH2+])NC[C@@H](C2CCCCC2)[NH+](C)C)CCO1 ZINC000848987160 730443210 /nfs/dbraw/zinc/44/32/10/730443210.db2.gz RSZQRHGZGUNSJJ-HIFRSBDPSA-N 2 0 296.459 1.742 10 0 CDAERP C[NH+](C)C1(CNC(=O)C[C@@H](N)C(F)F)CCCCC1 ZINC000724750807 730446181 /nfs/dbraw/zinc/44/61/81/730446181.db2.gz GFTOIUWJWYARKG-SNVBAGLBSA-N 2 0 277.359 1.350 10 0 CDAERP [NH3+]CCCCCCn1cc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000849137592 730450045 /nfs/dbraw/zinc/45/00/45/730450045.db2.gz UVPVGXTUFHMTQY-ZDUSSCGKSA-N 2 0 265.405 1.339 10 0 CDAERP C[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)CN1CC[NH+](C)CC1 ZINC000925493859 730455347 /nfs/dbraw/zinc/45/53/47/730455347.db2.gz ZWKNTIJZIXFENM-OAGGEKHMSA-N 3 0 296.503 1.366 10 0 CDAERP O=C1C[C@H](CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)CN1 ZINC000922779676 730462186 /nfs/dbraw/zinc/46/21/86/730462186.db2.gz YTFGHFIFRXULSD-AWEZNQCLSA-N 2 0 293.455 1.899 10 0 CDAERP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H]2CCC3(COC3)O2)C1 ZINC000929778965 730466169 /nfs/dbraw/zinc/46/61/69/730466169.db2.gz LMLLWTMNLBNEFJ-CABCVRRESA-N 2 0 282.428 1.598 10 0 CDAERP C[C@@H]1C[NH+]=C(NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)N1 ZINC000849046004 730470565 /nfs/dbraw/zinc/47/05/65/730470565.db2.gz LVHIOSLZXXOHDX-YUELXQCFSA-N 2 0 272.396 1.269 10 0 CDAERP CO[C@H](CN1CCC[C@H]([NH2+]CCO)C1)C1CCCCC1 ZINC000923410162 730470836 /nfs/dbraw/zinc/47/08/36/730470836.db2.gz ZFNVNRUSWBCIOQ-JKSUJKDBSA-N 2 0 284.444 1.628 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[NH+](C)[C@H]2C)C1 ZINC000925327303 730581713 /nfs/dbraw/zinc/58/17/13/730581713.db2.gz OUTUHIMELLGQMJ-KKUMJFAQSA-N 2 0 296.459 1.452 10 0 CDAERP Cc1c[nH+]ccc1N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709845859 730600340 /nfs/dbraw/zinc/60/03/40/730600340.db2.gz KBCWKPVZAYKNQZ-NXEZZACHSA-N 2 0 259.275 1.963 10 0 CDAERP C[C@@H]1C[N@H+](Cc2nc(-c3ccccn3)no2)CC[C@@H]1C[NH3+] ZINC000923498834 730601932 /nfs/dbraw/zinc/60/19/32/730601932.db2.gz IRZDMNXIYYIENE-VXGBXAGGSA-N 2 0 287.367 1.548 10 0 CDAERP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C[C@@H]1CC[NH2+]C1 ZINC000094447195 730662869 /nfs/dbraw/zinc/66/28/69/730662869.db2.gz KFPLACDDGBTRMU-MELADBBJSA-N 2 0 265.401 1.071 10 0 CDAERP C([C@H]1CC2(CCC2)CO1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000872142721 730669050 /nfs/dbraw/zinc/66/90/50/730669050.db2.gz BHQBNZJDWOJCGM-UKRRQHHQSA-N 2 0 250.386 1.631 10 0 CDAERP CN1C[C@H](CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1=O ZINC000925813540 730687166 /nfs/dbraw/zinc/68/71/66/730687166.db2.gz UXYIZFBGKJQDTH-QKPAOTATSA-N 2 0 293.455 1.755 10 0 CDAERP CCOC[C@@H](O)C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923509202 730724614 /nfs/dbraw/zinc/72/46/14/730724614.db2.gz YMYATHDBJQXKHI-ZBFHGGJFSA-N 2 0 284.444 1.486 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000925575421 730762770 /nfs/dbraw/zinc/76/27/70/730762770.db2.gz GNUMRIOGOAARGL-IOUZAIRSSA-N 2 0 296.480 1.971 10 0 CDAERP CC[N@H+](CC(=O)NC1CCC(C)([NH+](C)C)CC1)C1CC1 ZINC000871361284 730773272 /nfs/dbraw/zinc/77/32/72/730773272.db2.gz IDDYUDFYFVNBNF-UHFFFAOYSA-N 2 0 281.444 1.850 10 0 CDAERP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000424028211 730858419 /nfs/dbraw/zinc/85/84/19/730858419.db2.gz NOMPEZPHTJPLJK-LZWOXQAQSA-N 2 0 279.428 1.639 10 0 CDAERP COc1ccccc1[C@H](O)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000848718158 730861450 /nfs/dbraw/zinc/86/14/50/730861450.db2.gz YUIAMKOJXUVROL-OUCADQQQSA-N 2 0 264.369 1.588 10 0 CDAERP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)C=C1CC[NH2+]CC1 ZINC000852895236 730873319 /nfs/dbraw/zinc/87/33/19/730873319.db2.gz VBRHYFOHUJCPDR-INIZCTEOSA-N 2 0 285.391 1.381 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000381049290 730877087 /nfs/dbraw/zinc/87/70/87/730877087.db2.gz JSZSUIVMTXZDHM-RCZWDNKTSA-N 2 0 265.445 1.549 10 0 CDAERP CN1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H](O)CCC1(O)CCC1 ZINC000931620517 730902579 /nfs/dbraw/zinc/90/25/79/730902579.db2.gz GMNXAYHIOKWMME-RRFJBIMHSA-N 2 0 282.428 1.211 10 0 CDAERP C[C@H]1C[C@H]1NC(=[NH2+])NCC(C)(C)C[NH+]1CCCC1 ZINC000864464472 730935284 /nfs/dbraw/zinc/93/52/84/730935284.db2.gz CZRQBLYZBYCBGY-NWDGAFQWSA-N 2 0 252.406 1.631 10 0 CDAERP CC[C@H]1C[N@H+](CCc2ccc(C(N)=O)cc2)CC[C@H]1[NH3+] ZINC000866663971 730954901 /nfs/dbraw/zinc/95/49/01/730954901.db2.gz QEOLLYUXIQZTSM-DZGCQCFKSA-N 2 0 275.396 1.387 10 0 CDAERP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCOC(F)(F)C(F)(F)F ZINC000720308795 731010275 /nfs/dbraw/zinc/01/02/75/731010275.db2.gz MMPVTTQTZLGCRL-SFYZADRCSA-N 2 0 276.249 1.875 10 0 CDAERP [NH3+][C@@H]1CN(CCC[NH2+]C2CC2)C[C@H]1c1ccccc1F ZINC000923377049 731017199 /nfs/dbraw/zinc/01/71/99/731017199.db2.gz FGPAUSLCUKKTIC-GOEBONIOSA-N 2 0 277.387 1.694 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000870927211 731033731 /nfs/dbraw/zinc/03/37/31/731033731.db2.gz WDAGJAXMLJINLU-XYMADENCSA-N 2 0 277.412 1.247 10 0 CDAERP COC(=O)c1cc(C[NH2+][C@H](C)C[C@H](C)[NH3+])n(C)c1C ZINC000925769743 731033947 /nfs/dbraw/zinc/03/39/47/731033947.db2.gz PZDMZKKRTAMOPU-VHSXEESVSA-N 2 0 267.373 1.336 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CC(=O)NC2CCCC2)C1 ZINC000925594418 731063928 /nfs/dbraw/zinc/06/39/28/731063928.db2.gz BWCIHJZXHQAROT-AAEUAGOBSA-N 2 0 267.417 1.541 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCO[C@@H]2CC2(F)F)C1 ZINC000925707963 731086004 /nfs/dbraw/zinc/08/60/04/731086004.db2.gz AOWQHMCXCDMDAK-GMTAPVOTSA-N 2 0 262.344 1.906 10 0 CDAERP CN1C[C@H](CC[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])CC1=O ZINC000925807820 731091804 /nfs/dbraw/zinc/09/18/04/731091804.db2.gz DDYWMAOQLBEYCL-FRRDWIJNSA-N 2 0 253.390 1.104 10 0 CDAERP COCC[N@H+](C)CCC[NH2+][C@H](C1CC1)[C@H]1CCCOC1 ZINC000924653306 731133083 /nfs/dbraw/zinc/13/30/83/731133083.db2.gz IRGVHTGVCGLFII-JKSUJKDBSA-N 2 0 284.444 1.750 10 0 CDAERP C[NH+]1CCC(C[NH2+]C/C=C/CNC(=O)OC(C)(C)C)CC1 ZINC000227759874 731171924 /nfs/dbraw/zinc/17/19/24/731171924.db2.gz LWYRHJDADCQXQH-AATRIKPKSA-N 2 0 297.443 1.999 10 0 CDAERP C[NH+](C)C1(C)CCC([NH2+]CC2(O)CCOCC2)CC1 ZINC000715205617 731205191 /nfs/dbraw/zinc/20/51/91/731205191.db2.gz QIXALYPEEHWYGK-UHFFFAOYSA-N 2 0 270.417 1.380 10 0 CDAERP CCN1C[C@H](CN2CC[C@H](C[N@H+](C)CC)C2)OC1=O ZINC000846811069 731227858 /nfs/dbraw/zinc/22/78/58/731227858.db2.gz HJJMMJVZFKTCOG-OLZOCXBDSA-N 2 0 269.389 1.101 10 0 CDAERP CN(C(=O)CC1([NH3+])CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000852866586 731232580 /nfs/dbraw/zinc/23/25/80/731232580.db2.gz YUPNXSQCGJDDKO-UHFFFAOYSA-N 2 0 291.395 1.471 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C1CCC1)[C@H]1CCCO1 ZINC000866263644 731234198 /nfs/dbraw/zinc/23/41/98/731234198.db2.gz RMPRBVVEIHRCHE-DJIMGWMZSA-N 2 0 295.471 1.560 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CC(n3ccnc3)C2)C1 ZINC000810404238 731241299 /nfs/dbraw/zinc/24/12/99/731241299.db2.gz KIVKDVAZKXLXKR-OAHLLOKOSA-N 2 0 294.374 1.479 10 0 CDAERP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000716631008 731269695 /nfs/dbraw/zinc/26/96/95/731269695.db2.gz AYEJIHFXOUTNFD-NIFZNCRKSA-N 2 0 252.402 1.325 10 0 CDAERP [NH3+]C[C@H](NC(=O)CCC12CC(C1)C[NH2+]2)C1CCCCC1 ZINC000870936465 731297477 /nfs/dbraw/zinc/29/74/77/731297477.db2.gz JSDPGULXQBMJPW-UGWHAMFMSA-N 2 0 279.428 1.542 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000854229733 731341127 /nfs/dbraw/zinc/34/11/27/731341127.db2.gz VQVBLNUKZNHZBG-NWBUJAPZSA-N 2 0 290.354 1.143 10 0 CDAERP CCCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923498196 731369770 /nfs/dbraw/zinc/36/97/70/731369770.db2.gz JYBGSXPHYFJHFA-HZSPNIEDSA-N 2 0 269.433 1.598 10 0 CDAERP CC(C)(C[NH3+])C1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000714445634 731371376 /nfs/dbraw/zinc/37/13/76/731371376.db2.gz IGXJFIXGZGUETR-UHFFFAOYSA-N 2 0 267.417 1.306 10 0 CDAERP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NCC(C)(C)[NH+](C)C ZINC000713113093 731376521 /nfs/dbraw/zinc/37/65/21/731376521.db2.gz QCTIZFJFUCEXDQ-LLVKDONJSA-N 2 0 257.422 1.452 10 0 CDAERP CCOC(=O)C1=CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000863542261 731376535 /nfs/dbraw/zinc/37/65/35/731376535.db2.gz CEQIPYBTBNVXDA-HZSPNIEDSA-N 2 0 266.385 1.745 10 0 CDAERP C[NH+](C)CCCOC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000803859696 731378838 /nfs/dbraw/zinc/37/88/38/731378838.db2.gz ULFGSBAQKCTFTG-CYBMUJFWSA-N 2 0 256.390 1.746 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)NCCCC[NH+](C)C2CC2)CC[N@@H+]1C ZINC000922812034 731388285 /nfs/dbraw/zinc/38/82/85/731388285.db2.gz WHUOCQABEOLHIJ-OCCSQVGLSA-N 2 0 282.432 1.253 10 0 CDAERP CCCCO[C@@H]1C[C@@H]([NH2+]CCN2CCC([NH3+])CC2)C1(C)C ZINC000925816216 731399746 /nfs/dbraw/zinc/39/97/46/731399746.db2.gz WYCMYNPJWJPWQR-HZPDHXFCSA-N 2 0 297.487 1.983 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(C)nc1Cl ZINC000925767646 731433103 /nfs/dbraw/zinc/43/31/03/731433103.db2.gz XCKLGPJJDXXODG-GFCCVEGCSA-N 2 0 271.792 1.887 10 0 CDAERP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)c2ccc(F)cn2)C1 ZINC000818980816 731441154 /nfs/dbraw/zinc/44/11/54/731441154.db2.gz OJUFJYNWNHZTJO-DOMZBBRYSA-N 2 0 281.375 1.576 10 0 CDAERP CC1=CCN(CC(=O)NC[C@H](C)[N@H+]2CC=C(C)CC2)CC1 ZINC000930093914 731515326 /nfs/dbraw/zinc/51/53/26/731515326.db2.gz GFUIBEYEYSTEES-INIZCTEOSA-N 2 0 291.439 1.795 10 0 CDAERP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCc1cc(N)cc[nH+]1 ZINC000925769127 731530319 /nfs/dbraw/zinc/53/03/19/731530319.db2.gz YNPLXFCUOHBODY-LRDDRELGSA-N 2 0 270.380 1.712 10 0 CDAERP [NH3+][C@H](C[C@H]1CCC[N@@H+]([C@@H]2CCOC2=O)C1)C1CCCC1 ZINC000872157226 731563534 /nfs/dbraw/zinc/56/35/34/731563534.db2.gz NTLVLMJZVGVGNX-BPLDGKMQSA-N 2 0 280.412 1.922 10 0 CDAERP CC[C@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000925836399 731589034 /nfs/dbraw/zinc/58/90/34/731589034.db2.gz KBISNTXPVQFVOE-SDDRHHMPSA-N 2 0 281.366 1.989 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCCn2ccnc2)C1 ZINC000925494350 731602575 /nfs/dbraw/zinc/60/25/75/731602575.db2.gz OCYOGKHLGSKPMO-QWHCGFSZSA-N 2 0 250.390 1.769 10 0 CDAERP C[NH+](C)CC1(CN[C@H]2C[C@H]([NH3+])C23CCC3)CCCC1 ZINC000925639020 731614939 /nfs/dbraw/zinc/61/49/39/731614939.db2.gz ISAYLDLTLMISDG-KBPBESRZSA-N 2 0 265.445 1.968 10 0 CDAERP COC[C@H]([NH2+]CCN1CCC([NH3+])CC1)C1CCCC1 ZINC000925813050 731637202 /nfs/dbraw/zinc/63/72/02/731637202.db2.gz RLBOBNGDHKUQLX-HNNXBMFYSA-N 2 0 269.433 1.204 10 0 CDAERP CC(C)[C@H](C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1)[C@H](C)[NH3+] ZINC000870994754 731648221 /nfs/dbraw/zinc/64/82/21/731648221.db2.gz UTSBGMVTIAGCCB-XEZPLFJOSA-N 2 0 283.460 1.829 10 0 CDAERP C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)C1 ZINC000923498406 731686635 /nfs/dbraw/zinc/68/66/35/731686635.db2.gz HSUAFLMDZXRXOR-MCIONIFRSA-N 2 0 267.417 1.162 10 0 CDAERP CC1([NH+]2CCC2)CCC([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000925860644 731721511 /nfs/dbraw/zinc/72/15/11/731721511.db2.gz IZHWUWAKRVDHFK-FWHBKBRVSA-N 3 0 289.467 1.979 10 0 CDAERP COCCOCC[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923504766 731761760 /nfs/dbraw/zinc/76/17/60/731761760.db2.gz DPNISJYBISSRDB-OAHLLOKOSA-N 2 0 284.444 1.751 10 0 CDAERP C[C@H](CNC(=[NH2+])NCC1CCC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000849049864 731765271 /nfs/dbraw/zinc/76/52/71/731765271.db2.gz VXXQYPIFPXQOSJ-UPJWGTAASA-N 2 0 282.432 1.398 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000870954699 731789840 /nfs/dbraw/zinc/78/98/40/731789840.db2.gz FQCHPMGQDIHZCJ-QDEZUTFSSA-N 2 0 291.439 1.637 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000713054152 731797223 /nfs/dbraw/zinc/79/72/23/731797223.db2.gz XZNDTVIZLPXFQH-RDBSUJKOSA-N 2 0 281.444 1.739 10 0 CDAERP CC(C)C[C@@H](CCO)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925525859 731814521 /nfs/dbraw/zinc/81/45/21/731814521.db2.gz FJXPAQXFNQUKEP-KGLIPLIRSA-N 2 0 254.418 1.905 10 0 CDAERP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000870896736 731820851 /nfs/dbraw/zinc/82/08/51/731820851.db2.gz ZGCZDOKLUPKOJM-AIANPOQGSA-N 2 0 291.439 1.304 10 0 CDAERP CO[C@H]1C[C@@H](C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)C1 ZINC000872144878 731846980 /nfs/dbraw/zinc/84/69/80/731846980.db2.gz KVLWODXVZLMYQK-SLBVQIDZSA-N 2 0 282.428 1.630 10 0 CDAERP O=C(CC[C@@H]1CCC[NH2+]1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000261624359 731857654 /nfs/dbraw/zinc/85/76/54/731857654.db2.gz VDJGBZMHPNOOGA-KBPBESRZSA-N 2 0 265.401 1.215 10 0 CDAERP CC[C@@H]1CCN(C(=[NH2+])NC[C@H](C)[N@H+](C)C2CC2)C1 ZINC000864456498 731922247 /nfs/dbraw/zinc/92/22/47/731922247.db2.gz HRQQLENCDSAKER-NWDGAFQWSA-N 2 0 252.406 1.725 10 0 CDAERP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1cc2n(n1)CCC2 ZINC000925797732 731930220 /nfs/dbraw/zinc/93/02/20/731930220.db2.gz VLTILJCJYPHBBD-JHJVBQTASA-N 2 0 262.401 1.726 10 0 CDAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)CCC34CC(C3)C[NH2+]4)CC[C@H]21 ZINC000870905953 731935314 /nfs/dbraw/zinc/93/53/14/731935314.db2.gz AZXFJDHTMZDEKN-GYMHETDLSA-N 2 0 291.439 1.461 10 0 CDAERP C[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)CC1CCCCC1 ZINC000923301236 732002195 /nfs/dbraw/zinc/00/21/95/732002195.db2.gz QUPWMHMCKQWRSE-CQSZACIVSA-N 2 0 252.402 1.877 10 0 CDAERP C[C@H]1C[C@@H]1NC(=[NH2+])NCC[N@H+](C)C1CCCCC1 ZINC000864451753 732011186 /nfs/dbraw/zinc/01/11/86/732011186.db2.gz JPOMISNZVREKFI-AAEUAGOBSA-N 2 0 252.406 1.773 10 0 CDAERP O=C1O[C@@H](C[NH2+][C@H]2CCCC23CCC3)CC12CC[NH2+]CC2 ZINC000925852069 732032198 /nfs/dbraw/zinc/03/21/98/732032198.db2.gz ZTEFIAJOYCCDMQ-KGLIPLIRSA-N 2 0 292.423 1.984 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000925779509 732071549 /nfs/dbraw/zinc/07/15/49/732071549.db2.gz JYQWPKYJIRDIDI-KJWHEZOQSA-N 2 0 251.418 1.495 10 0 CDAERP C[C@@H](C(=O)NC1CCCCC1)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723892087 732082869 /nfs/dbraw/zinc/08/28/69/732082869.db2.gz UUHBBVGAZXQGCX-HZSPNIEDSA-N 2 0 281.444 1.741 10 0 CDAERP Cc1noc(CCC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)n1 ZINC000925591700 732095519 /nfs/dbraw/zinc/09/55/19/732095519.db2.gz CQFNJVQCJWJBIM-WDEREUQCSA-N 2 0 250.346 1.170 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1C[NH2+]CC1(C)C)C[NH+]1CCCC1 ZINC000711270128 732102573 /nfs/dbraw/zinc/10/25/73/732102573.db2.gz BGOPRYOWUFSSCM-STQMWFEESA-N 2 0 267.417 1.080 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CCC[C@@H]2CCOC2=O)CN1C1CC1 ZINC000872112510 732111087 /nfs/dbraw/zinc/11/10/87/732111087.db2.gz CMJYFACXTIGJPA-JHJVBQTASA-N 2 0 266.385 1.545 10 0 CDAERP C[NH+](C)C[C@@H]1CN(C(=O)/C=C\C(C)(C)C)C[C@H]1C[NH+](C)C ZINC000870022527 732116782 /nfs/dbraw/zinc/11/67/82/732116782.db2.gz UDRARCHYYTVMHS-SFRZCGLPSA-N 2 0 295.471 1.787 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870973411 732124599 /nfs/dbraw/zinc/12/45/99/732124599.db2.gz VFVNCNYTBQELGZ-QKPAOTATSA-N 2 0 293.455 1.898 10 0 CDAERP CC[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@H]1CCCOC1 ZINC000872042222 732155641 /nfs/dbraw/zinc/15/56/41/732155641.db2.gz ZRIQKCJERQGBEW-DOTOQJQBSA-N 2 0 297.487 1.807 10 0 CDAERP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925848449 732160824 /nfs/dbraw/zinc/16/08/24/732160824.db2.gz ATJIRFIHDZVUJF-AGIUHOORSA-N 2 0 266.385 1.450 10 0 CDAERP CN(C(=O)CCCCC[NH3+])[C@H]1C[NH+]2CCC1CC2 ZINC000381174174 732175212 /nfs/dbraw/zinc/17/52/12/732175212.db2.gz MUBXRIFDTMZURC-ZDUSSCGKSA-N 2 0 253.390 1.058 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CC[NH+](C)[C@@H]1C ZINC000922466774 732187047 /nfs/dbraw/zinc/18/70/47/732187047.db2.gz QKYOKOHXVNFDLI-RDBSUJKOSA-N 2 0 282.432 1.253 10 0 CDAERP [NH3+]CCCCCC[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000846218194 732190988 /nfs/dbraw/zinc/19/09/88/732190988.db2.gz SXNLEQDCQDMFNZ-OAHLLOKOSA-N 2 0 297.443 1.076 10 0 CDAERP O[C@@H]1CCCC[C@H]1[NH+]1CCC(N2CCCOCC2)CC1 ZINC000931291607 732200072 /nfs/dbraw/zinc/20/00/72/732200072.db2.gz YEYKFEQVUUSONX-HZPDHXFCSA-N 2 0 282.428 1.477 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)C=C1CC[NH2+]CC1)c1ccccc1 ZINC000852855207 732201792 /nfs/dbraw/zinc/20/17/92/732201792.db2.gz WPTDFISLEGUBFQ-MRXNPFEDSA-N 2 0 287.407 1.715 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000925717979 732235575 /nfs/dbraw/zinc/23/55/75/732235575.db2.gz MHYYVAQXENVGGG-BFHYXJOUSA-N 2 0 256.390 1.147 10 0 CDAERP C[NH+](C)Cc1cccc(C[NH2+][C@H]2CN3C[C@@H]2CCC3)c1 ZINC000924610125 732247517 /nfs/dbraw/zinc/24/75/17/732247517.db2.gz XTNSXVCYMGEWRB-IRXDYDNUSA-N 2 0 273.424 1.932 10 0 CDAERP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)C1(C(=O)OC)CCC1 ZINC000925782623 732247884 /nfs/dbraw/zinc/24/78/84/732247884.db2.gz ABMVOBBUBXVTRR-FRRDWIJNSA-N 2 0 268.401 1.553 10 0 CDAERP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCc2ccc(C(N)=O)cc2)C1 ZINC000866659069 732257959 /nfs/dbraw/zinc/25/79/59/732257959.db2.gz HCXZWHVPLQOFCR-IUODEOHRSA-N 2 0 275.396 1.387 10 0 CDAERP CC[C@H]1CCN(C(=[NH2+])NCC2CC[NH+](CC)CC2)C1 ZINC000864457101 732268140 /nfs/dbraw/zinc/26/81/40/732268140.db2.gz QOHBUKOYNJSYPQ-ZDUSSCGKSA-N 2 0 266.433 1.975 10 0 CDAERP CC[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)[C@@H]1CCOC1 ZINC000925856108 732274348 /nfs/dbraw/zinc/27/43/48/732274348.db2.gz WJCOVZQQDWDIQW-MCIONIFRSA-N 2 0 296.411 1.076 10 0 CDAERP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925845447 732277244 /nfs/dbraw/zinc/27/72/44/732277244.db2.gz HDECPWARXUAPRZ-HOTGVXAUSA-N 3 0 282.476 1.312 10 0 CDAERP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C[C@@H]21 ZINC000834307638 732287894 /nfs/dbraw/zinc/28/78/94/732287894.db2.gz CNUOAFZUWFIEQV-DVOMOZLQSA-N 2 0 297.418 1.361 10 0 CDAERP Cc1cccc(C[N@H+](C)C[C@H]2CC3(C[NH2+]C3)CO2)c1 ZINC000923303533 732334845 /nfs/dbraw/zinc/33/48/45/732334845.db2.gz FQBDYBRGADFJAA-OAHLLOKOSA-N 2 0 260.381 1.805 10 0 CDAERP OC[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)[C@@H]1CCOC1 ZINC000925658719 732357980 /nfs/dbraw/zinc/35/79/80/732357980.db2.gz ZDHLYSNZFBGUBV-LTIDMASMSA-N 2 0 296.455 1.389 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N(C)C1CCC([NH3+])CC1 ZINC000851677112 732392536 /nfs/dbraw/zinc/39/25/36/732392536.db2.gz CYIIAPHGGOOYTO-WXRRBKDZSA-N 2 0 270.421 1.271 10 0 CDAERP Cn1nc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1Cl ZINC000706138058 732393673 /nfs/dbraw/zinc/39/36/73/732393673.db2.gz WYVZHEWESUDYKE-PHIMTYICSA-N 2 0 268.792 1.505 10 0 CDAERP [NH3+][C@H]1C[C@H]([NH2+]C[C@H](O)c2ccc(F)cc2)C12CCC2 ZINC000925651418 732476287 /nfs/dbraw/zinc/47/62/87/732476287.db2.gz CHZSNQOTYCBTMT-IHRRRGAJSA-N 2 0 264.344 1.719 10 0 CDAERP COC[C@H]([NH2+][C@@H](C)CCCC[NH3+])[C@H]1CCCOC1 ZINC000925781254 732553858 /nfs/dbraw/zinc/55/38/58/732553858.db2.gz XPQUFHAPJKBVMV-IHRRRGAJSA-N 2 0 258.406 1.535 10 0 CDAERP C[C@@H]1CN(CC[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)CCO1 ZINC000866708503 732589158 /nfs/dbraw/zinc/58/91/58/732589158.db2.gz QQXOSTDIEIXMHM-ZBFHGGJFSA-N 2 0 283.460 1.404 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852861418 732605823 /nfs/dbraw/zinc/60/58/23/732605823.db2.gz VCFKNEQEQMLEBB-UHFFFAOYSA-N 2 0 279.428 1.629 10 0 CDAERP COCCC[C@@H](C)[NH2+]C[C@@H]1CCN1C1CCOCC1 ZINC000927105461 732699159 /nfs/dbraw/zinc/69/91/59/732699159.db2.gz FOZLKRSJMRLHDK-HIFRSBDPSA-N 2 0 270.417 1.644 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(N(C)C(C)=O)cc1 ZINC000863542055 732715326 /nfs/dbraw/zinc/71/53/26/732715326.db2.gz DZSKSTHINHTHJW-HNNXBMFYSA-N 2 0 293.411 1.513 10 0 CDAERP C(CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)CCN1CC[NH2+]CC1 ZINC000925842323 732730708 /nfs/dbraw/zinc/73/07/08/732730708.db2.gz LONNFXLMBTYRQZ-GVDBMIGSSA-N 3 0 294.487 1.040 10 0 CDAERP COC[C@H](C[NH2+][C@H]1CCCN2CCCC[C@@H]12)OC ZINC000926120738 732766745 /nfs/dbraw/zinc/76/67/45/732766745.db2.gz HZRLVCILBPWXOD-IHRRRGAJSA-N 2 0 256.390 1.254 10 0 CDAERP C[C@@H](CNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH+]1CCC(C)CC1 ZINC000895938280 732782469 /nfs/dbraw/zinc/78/24/69/732782469.db2.gz ZSWWHUNAYFZKNA-RDJZCZTQSA-N 2 0 293.455 1.709 10 0 CDAERP C[C@H]1C[C@@H](C[N@@H+]2CCc3cc(Cl)nnc3C2)CC[NH2+]1 ZINC000843130108 732792679 /nfs/dbraw/zinc/79/26/79/732792679.db2.gz XHOZBGWDMAMADY-QWRGUYRKSA-N 2 0 280.803 1.876 10 0 CDAERP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000925777226 732840684 /nfs/dbraw/zinc/84/06/84/732840684.db2.gz OSPUQHAVWLVZGU-AEGPPILISA-N 2 0 297.393 1.779 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C[C@H]2CCC[NH+]2C)[C@@H](C)C1 ZINC000929999012 732860816 /nfs/dbraw/zinc/86/08/16/732860816.db2.gz HWDAOCQUABGVID-RRFJBIMHSA-N 2 0 253.434 1.743 10 0 CDAERP C[NH+](C)CC1(O)CC[NH+](CCCC(C)(F)F)CC1 ZINC000718701982 732967532 /nfs/dbraw/zinc/96/75/32/732967532.db2.gz HMYYXNNCJVSZEM-UHFFFAOYSA-N 2 0 264.360 1.810 10 0 CDAERP C[NH+]1CCN(C[C@H](O)C[NH2+]CC2CCC3(CC3)CC2)CC1 ZINC000872224084 732990556 /nfs/dbraw/zinc/99/05/56/732990556.db2.gz UQQRZDSZLGXJQP-MRXNPFEDSA-N 2 0 295.471 1.155 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000828942781 733006473 /nfs/dbraw/zinc/00/64/73/733006473.db2.gz AXRSPXZHVJCDDP-BZPMIXESSA-N 2 0 271.380 1.067 10 0 CDAERP CCN1CC[NH+](CCCC[NH2+][C@@H](C)C(C)(C)CO)CC1 ZINC000924663118 733019634 /nfs/dbraw/zinc/01/96/34/733019634.db2.gz YFJBAIOZRHNDJG-HNNXBMFYSA-N 2 0 285.476 1.401 10 0 CDAERP Cc1noc(C)c1CCC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000863550717 733026370 /nfs/dbraw/zinc/02/63/70/733026370.db2.gz DOKOIAQTBVZCLZ-CQSZACIVSA-N 2 0 281.400 1.270 10 0 CDAERP CC1CC[NH+](CCC[NH2+]C[C@H](O)CC(C)(C)O)CC1 ZINC000871969450 733029392 /nfs/dbraw/zinc/02/93/92/733029392.db2.gz WMKIFFVBBMDBNC-CQSZACIVSA-N 2 0 272.433 1.220 10 0 CDAERP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CC[C@H]([NH3+])C1 ZINC000394349677 733046189 /nfs/dbraw/zinc/04/61/89/733046189.db2.gz FLBFJESAIJTGBR-BARDWOONSA-N 2 0 251.418 1.672 10 0 CDAERP C[N@@H+]1CCC[C@@H](CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000810369263 733046495 /nfs/dbraw/zinc/04/64/95/733046495.db2.gz QASMXMRMOCUAMD-BBRMVZONSA-N 2 0 299.434 1.657 10 0 CDAERP C[NH+](C)CCOCC[NH2+][C@H](C1CCC1)[C@H]1CCCO1 ZINC000866349116 733057120 /nfs/dbraw/zinc/05/71/20/733057120.db2.gz XUHIEVDPAVBPJF-HUUCEWRRSA-N 2 0 270.417 1.502 10 0 CDAERP Fc1cccc([C@H]2CC[N@@H+]2C[C@H]2CC3(C[NH2+]C3)CO2)c1 ZINC000923316014 733095102 /nfs/dbraw/zinc/09/51/02/733095102.db2.gz CLXKTNSXRKBAQO-HUUCEWRRSA-N 2 0 276.355 1.951 10 0 CDAERP C[C@@H]1C[C@@H](C[N@@H+]2CCN(C)c3ncccc3C2)CC[NH2+]1 ZINC000872257301 733125681 /nfs/dbraw/zinc/12/56/81/733125681.db2.gz DTERZQXIUNHKAN-KGLIPLIRSA-N 2 0 274.412 1.722 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000237510002 733157726 /nfs/dbraw/zinc/15/77/26/733157726.db2.gz RINCUKOPWUAJAA-BFHYXJOUSA-N 2 0 267.417 1.495 10 0 CDAERP CCC[C@H](C)C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872256568 1165404747 /nfs/dbraw/zinc/40/47/47/1165404747.db2.gz XGALUHXENMPPAI-FQUUOJAGSA-N 2 0 281.400 1.290 10 0 CDAERP CC(C)(C)[NH2+]CCC(=O)NCCCCc1cc[nH+]c(N)c1 ZINC001637967431 1166808226 /nfs/dbraw/zinc/80/82/26/1166808226.db2.gz GRWNLQXZBZULAC-UHFFFAOYSA-N 2 0 292.427 1.881 10 0 CDAERP CC(C)CC[NH2+]C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001567148163 1168047056 /nfs/dbraw/zinc/04/70/56/1168047056.db2.gz OOXOLRNIOAOEEF-HOTGVXAUSA-N 2 0 295.471 1.812 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1CCCCCF ZINC001566083052 1168232250 /nfs/dbraw/zinc/23/22/50/1168232250.db2.gz YLRFWJOIHBDQBR-ILXRZTDVSA-N 2 0 299.434 1.799 10 0 CDAERP CCOCC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001566611171 1168355535 /nfs/dbraw/zinc/35/55/35/1168355535.db2.gz YMYIDXZMDMVWLY-OAHLLOKOSA-N 2 0 297.443 1.040 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CCN1C/C=C/Cl ZINC001483657085 912361642 /nfs/dbraw/zinc/36/16/42/912361642.db2.gz BRFBKYDQVDQRGR-DPHCIQCQSA-N 2 0 299.846 1.804 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001483670710 912489589 /nfs/dbraw/zinc/48/95/89/912489589.db2.gz QHKGBZGJVBSCMG-ZIAGYGMSSA-N 2 0 299.434 1.799 10 0 CDAERP CC(C)[C@H](C(=O)NCC[N@H+](C)C(C)C)[NH+]1CCCC1 ZINC001266362870 894569705 /nfs/dbraw/zinc/56/97/05/894569705.db2.gz YDTGQKRYWJUGMZ-CQSZACIVSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)[C@@H](C(=O)NCC[N@H+](C)C(C)C)[NH+]1CCCC1 ZINC001266362869 894570307 /nfs/dbraw/zinc/57/03/07/894570307.db2.gz YDTGQKRYWJUGMZ-AWEZNQCLSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)=CC[NH+]1CCC[C@@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001266482870 895034260 /nfs/dbraw/zinc/03/42/60/895034260.db2.gz KGLBZHMNZZDNLN-JKSUJKDBSA-N 2 0 293.455 1.875 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001266526379 895230356 /nfs/dbraw/zinc/23/03/56/895230356.db2.gz UTJYYZHWBDQPTH-CGFBPQRUSA-N 2 0 293.455 1.875 10 0 CDAERP CC[C@@H](C)C[NH2+]CCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001567510920 1168822252 /nfs/dbraw/zinc/82/22/52/1168822252.db2.gz KYVLMUCLDNAFBG-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H](F)CC[NH2+]CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001266702229 895861831 /nfs/dbraw/zinc/86/18/31/895861831.db2.gz UJOQIWPRCVAZTH-GXTWGEPZSA-N 2 0 285.407 1.124 10 0 CDAERP CC(C)(C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])CS(C)(=O)=O ZINC000723880134 896244281 /nfs/dbraw/zinc/24/42/81/896244281.db2.gz XQCXBENRKCAUKF-NEPJUHHUSA-N 2 0 276.446 1.164 10 0 CDAERP CC(C)CC[NH2+]CCN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001266927399 896365322 /nfs/dbraw/zinc/36/53/22/896365322.db2.gz AUHBRQPOFKCUAQ-UHFFFAOYSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001267243392 897307781 /nfs/dbraw/zinc/30/77/81/897307781.db2.gz WURIPGUQABTDNF-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP CC[C@H](F)C[NH2+]CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001567590703 1168871149 /nfs/dbraw/zinc/87/11/49/1168871149.db2.gz JDMLBINSSLQMIP-STQMWFEESA-N 2 0 273.396 1.124 10 0 CDAERP CN(CC[NH2+]Cc1ccsc1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001267391231 897851967 /nfs/dbraw/zinc/85/19/67/897851967.db2.gz CTKLZVFLWLEYTH-CQSZACIVSA-N 2 0 295.452 1.780 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CCC(C)(C)C ZINC001480945850 898060860 /nfs/dbraw/zinc/06/08/60/898060860.db2.gz DMEZQSUEEZAIFN-CYBMUJFWSA-N 2 0 269.433 1.422 10 0 CDAERP CN(CC[NH2+]Cc1cccc(F)c1)C(=O)C[NH+]1CCCC1 ZINC001267470080 898078596 /nfs/dbraw/zinc/07/85/96/898078596.db2.gz STOFGJWKKSQLIJ-UHFFFAOYSA-N 2 0 293.386 1.470 10 0 CDAERP CN(CC[N@H+](C)CC[C@H]1CCCCO1)C(=O)CC[NH+](C)C ZINC001420004058 898959368 /nfs/dbraw/zinc/95/93/68/898959368.db2.gz GOLCFPRKAZCGCD-OAHLLOKOSA-N 2 0 299.459 1.288 10 0 CDAERP CC/C=C/CC[NH+]1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001267692015 899292938 /nfs/dbraw/zinc/29/29/38/899292938.db2.gz YZIKURUFDJPVQJ-SNAWJCMRSA-N 2 0 293.455 1.733 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]CCC1CC1 ZINC001481228504 899509947 /nfs/dbraw/zinc/50/99/47/899509947.db2.gz GICYYXKYUBXEFN-OAHLLOKOSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H]1C[N@H+](CCC[NH+]2CCCCC2)CC[C@H]1C[NH3+] ZINC000695513946 899520175 /nfs/dbraw/zinc/52/01/75/899520175.db2.gz NIQIQEAFLLXGTR-GJZGRUSLSA-N 3 0 253.434 1.779 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@](C)(C[NH2+]CCC1CC1)C1CC1 ZINC001267847790 899865792 /nfs/dbraw/zinc/86/57/92/899865792.db2.gz CAQUDFDFHKCQHP-DOTOQJQBSA-N 2 0 293.455 1.755 10 0 CDAERP CC(C)[C@H](C(=O)N(C)CC[NH2+]CC[C@H](C)F)[NH+](C)C ZINC001481277524 899924700 /nfs/dbraw/zinc/92/47/00/899924700.db2.gz RYIFQRBTFNYULY-QWHCGFSZSA-N 2 0 275.412 1.369 10 0 CDAERP CC[NH2+]Cc1ccc(CNC(=O)CC[NH+](C)C)cc1 ZINC001267939338 900012879 /nfs/dbraw/zinc/01/28/79/900012879.db2.gz SQCLKIYGDVKVHF-UHFFFAOYSA-N 2 0 263.385 1.364 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H]1C[NH2+]CCCF ZINC001267957634 900069504 /nfs/dbraw/zinc/06/95/04/900069504.db2.gz GRWXHLIOGJXPSE-HUUCEWRRSA-N 2 0 299.434 1.801 10 0 CDAERP Cc1nccn1CCCC[N@@H+]1CC[C@]2(CCOC2=O)C1 ZINC001177001916 914428086 /nfs/dbraw/zinc/42/80/86/914428086.db2.gz HSCAPDFFNGWVIH-HNNXBMFYSA-N 2 0 277.368 1.611 10 0 CDAERP C[C@@H]1[C@H](C(=O)NCC[C@@H]2CC[NH+](CC3CC3)C2)CC[N@@H+]1C ZINC001481430698 900645245 /nfs/dbraw/zinc/64/52/45/900645245.db2.gz CPSXFZWBPAMORM-FVQBIDKESA-N 2 0 293.455 1.565 10 0 CDAERP CC(C)[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CCF)[NH+]1CCCC1 ZINC001268099121 901283407 /nfs/dbraw/zinc/28/34/07/901283407.db2.gz YMEGUCVWYLBXEG-UONOGXRCSA-N 2 0 287.423 1.513 10 0 CDAERP CCC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001268204280 901564825 /nfs/dbraw/zinc/56/48/25/901564825.db2.gz HTQONIIAWHTGRH-OLZOCXBDSA-N 2 0 255.406 1.221 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001481703430 901845062 /nfs/dbraw/zinc/84/50/62/901845062.db2.gz IXHKGNRMISAKMS-KFWWJZLASA-N 2 0 283.460 1.809 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)CC[NH2+]C/C=C/Cl)[NH+](C)C ZINC001268376413 901958617 /nfs/dbraw/zinc/95/86/17/901958617.db2.gz XRAQGNIHVXAUOR-RQDOONKYSA-N 2 0 275.824 1.564 10 0 CDAERP Cc1conc1C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268393676 901986579 /nfs/dbraw/zinc/98/65/79/901986579.db2.gz WIIVHJWANQUIIG-TZMCWYRMSA-N 2 0 294.399 1.062 10 0 CDAERP CC[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CCF ZINC001481854792 902228796 /nfs/dbraw/zinc/22/87/96/902228796.db2.gz GNZPUIOTWYJTHE-UONOGXRCSA-N 2 0 287.423 1.705 10 0 CDAERP CCC[NH2+]CC[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001481982411 902431824 /nfs/dbraw/zinc/43/18/24/902431824.db2.gz KVAROJWLNDNBTL-OAHLLOKOSA-N 2 0 295.471 1.957 10 0 CDAERP CC[NH2+]CCC1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001482005010 902454020 /nfs/dbraw/zinc/45/40/20/902454020.db2.gz ZJDQLQCWNCASGH-OAHLLOKOSA-N 2 0 283.460 1.811 10 0 CDAERP CCCC[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001268556512 902556512 /nfs/dbraw/zinc/55/65/12/902556512.db2.gz POEIHQILVYYKAC-LMVHVUTASA-N 2 0 267.417 1.533 10 0 CDAERP Cc1c(C(=O)NC/C=C\C[NH2+]CC2CC2)ccc2c[nH+]cn21 ZINC001268559900 902565028 /nfs/dbraw/zinc/56/50/28/902565028.db2.gz UHLKSUBYNRDYBN-IHWYPQMZSA-N 2 0 298.390 1.928 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH+](C)CCCOC)CC[N@@H+]1C ZINC001268732010 903052317 /nfs/dbraw/zinc/05/23/17/903052317.db2.gz SOFUUTYLJNUKBA-SOUVJXGZSA-N 2 0 299.459 1.190 10 0 CDAERP CCC[NH2+][C@H](CC)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001269471027 903841000 /nfs/dbraw/zinc/84/10/00/903841000.db2.gz FBHNNBMHIBCPAD-QWHCGFSZSA-N 2 0 255.406 1.223 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2([NH2+]CCCF)CC2)C1 ZINC001269474229 903842210 /nfs/dbraw/zinc/84/22/10/903842210.db2.gz ASKYYLAAOHIISM-CQSZACIVSA-N 2 0 299.434 1.706 10 0 CDAERP CCCCC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001567833529 1169004245 /nfs/dbraw/zinc/00/42/45/1169004245.db2.gz SBGXVKNQEXWDLW-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCCOC)C[C@@H]1C ZINC001269973910 904243115 /nfs/dbraw/zinc/24/31/15/904243115.db2.gz VIQFRWYMFFUKFW-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CCC(C)C)[NH+](C)C ZINC001270164910 904410725 /nfs/dbraw/zinc/41/07/25/904410725.db2.gz GLYAOGZCCQGMGI-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H]([NH2+]CC1CC1)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001422448227 904451330 /nfs/dbraw/zinc/45/13/30/904451330.db2.gz MIUHEDXOOTUUBM-KGLIPLIRSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001270922795 905451350 /nfs/dbraw/zinc/45/13/50/905451350.db2.gz XABAPOAPWDIMNJ-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP COCC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001271450277 906433150 /nfs/dbraw/zinc/43/31/50/906433150.db2.gz UZXGQQLAFNKCSL-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]CCOC ZINC001271748887 906770529 /nfs/dbraw/zinc/77/05/29/906770529.db2.gz BQRVXHPQODWIPG-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP CCC(CC)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482899588 908465200 /nfs/dbraw/zinc/46/52/00/908465200.db2.gz SCVAYFSKMSZQLA-UKRRQHHQSA-N 2 0 283.460 1.859 10 0 CDAERP CC[NH2+]CCN(CC)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001482950420 908537332 /nfs/dbraw/zinc/53/73/32/908537332.db2.gz QNOUBHVJUICHRL-HNNXBMFYSA-N 2 0 287.423 1.657 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062985527 1169093384 /nfs/dbraw/zinc/09/33/84/1169093384.db2.gz WCHKXFGKWKRHHD-BFHYXJOUSA-N 2 0 265.401 1.201 10 0 CDAERP CC(C)C[NH2+]C/C=C\CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001483082269 909299668 /nfs/dbraw/zinc/29/96/68/909299668.db2.gz NMXCZVUBOXYVAV-WSNITJDQSA-N 2 0 267.417 1.246 10 0 CDAERP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NCC[C@H](C)[NH+](C)C ZINC000713010362 909602060 /nfs/dbraw/zinc/60/20/60/909602060.db2.gz QTKJBGGXTQKWOQ-NWDGAFQWSA-N 2 0 257.422 1.452 10 0 CDAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CCC1CC1 ZINC001483127887 909676965 /nfs/dbraw/zinc/67/69/65/909676965.db2.gz ZGGVUFKAVJRFNW-UKRRQHHQSA-N 2 0 281.444 1.754 10 0 CDAERP CC[C@H](F)C[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001507090639 910735331 /nfs/dbraw/zinc/73/53/31/910735331.db2.gz RIVKWPMTOSIFET-OLZOCXBDSA-N 2 0 287.423 1.655 10 0 CDAERP CC[C@H](F)C[NH2+]CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001483470159 911159162 /nfs/dbraw/zinc/15/91/62/911159162.db2.gz LVRXNJIQNNSRFP-ZDUSSCGKSA-N 2 0 287.423 1.657 10 0 CDAERP CC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]1[NH2+]CCOC ZINC001483627536 911991368 /nfs/dbraw/zinc/99/13/68/911991368.db2.gz XXXOEIQUKDZTPQ-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001484399578 915719665 /nfs/dbraw/zinc/71/96/65/915719665.db2.gz NVRYCRPRCBCJMX-INIZCTEOSA-N 2 0 289.423 1.719 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC(CC)([NH2+]CCOC)CC1 ZINC001484819568 916191256 /nfs/dbraw/zinc/19/12/56/916191256.db2.gz RAHLKVZPXQZOQE-UHFFFAOYSA-N 2 0 299.459 1.335 10 0 CDAERP CC[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001485146926 916585364 /nfs/dbraw/zinc/58/53/64/916585364.db2.gz KLVWIQWTQMSONY-OLZOCXBDSA-N 2 0 269.433 1.754 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)CCC1CC1 ZINC001485343431 916860173 /nfs/dbraw/zinc/86/01/73/916860173.db2.gz DNALJZNJNKRCNG-DZKIICNBSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@@H](F)CC[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001485384478 916919280 /nfs/dbraw/zinc/91/92/80/916919280.db2.gz VSUNLELYJOXHBJ-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001406394117 919329070 /nfs/dbraw/zinc/32/90/70/919329070.db2.gz AAVVXYAPSIMIPO-JHJVBQTASA-N 2 0 275.412 1.415 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001490890386 936655652 /nfs/dbraw/zinc/65/56/52/936655652.db2.gz VKDUILMTQDVEQS-KBUPBQIOSA-N 2 0 279.428 1.530 10 0 CDAERP CC(C)C[NH2+][C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC1(C)C ZINC001486239818 920836430 /nfs/dbraw/zinc/83/64/30/920836430.db2.gz FRDQFTWAMCSJPR-AWEZNQCLSA-N 2 0 295.471 1.811 10 0 CDAERP CCC[NH2+]C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C(C)(C)C ZINC001486402583 920986888 /nfs/dbraw/zinc/98/68/88/920986888.db2.gz HFHPGMLCRXCRMN-CHWSQXEVSA-N 2 0 271.449 1.857 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]CCF)C2CCCCC2)C1 ZINC001568349414 1169256476 /nfs/dbraw/zinc/25/64/76/1169256476.db2.gz VQUHXALHKMJZID-GJZGRUSLSA-N 2 0 299.434 1.562 10 0 CDAERP [NH3+]Cc1nc2c(s1)CCN(C[C@H]1CCSC1)C2 ZINC000710112933 923237646 /nfs/dbraw/zinc/23/76/46/923237646.db2.gz MNXFJRVJYXLDEL-SECBINFHSA-N 2 0 269.439 1.713 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC[C@@H](C)F)C1 ZINC001491071277 936851010 /nfs/dbraw/zinc/85/10/10/936851010.db2.gz YFKKWVFYLBCMRQ-UPJWGTAASA-N 2 0 273.396 1.313 10 0 CDAERP C[C@@H]1CC2(C[N@@H+]1C[C@H](O)C(F)(F)F)CC[NH2+]CC2 ZINC000923384062 923794022 /nfs/dbraw/zinc/79/40/22/923794022.db2.gz RLDXDAMFFBOIEI-ZJUUUORDSA-N 2 0 266.307 1.374 10 0 CDAERP CC/C=C\CC[NH+]1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001494583896 923828111 /nfs/dbraw/zinc/82/81/11/923828111.db2.gz CRJTYTFDIATMRF-WAYWQWQTSA-N 2 0 293.455 1.733 10 0 CDAERP C[C@@H]1CC[C@@H](C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)O1 ZINC000923443590 923831760 /nfs/dbraw/zinc/83/17/60/923831760.db2.gz GCKHERYTGDVTNL-RDBSUJKOSA-N 2 0 268.401 1.384 10 0 CDAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](C[C@@H](O)CC1CCCC1)CC2 ZINC000923438670 923833809 /nfs/dbraw/zinc/83/38/09/923833809.db2.gz BJBLJSQDVXPBMD-HOTGVXAUSA-N 2 0 296.455 1.757 10 0 CDAERP C[C@H](c1cccc(Cl)c1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923459136 923842575 /nfs/dbraw/zinc/84/25/75/923842575.db2.gz AMGUCWLVKYWDDW-GFCCVEGCSA-N 2 0 267.804 1.896 10 0 CDAERP CC(C)[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CCF)C1)[NH+](C)C ZINC001491184048 936869949 /nfs/dbraw/zinc/86/99/49/936869949.db2.gz DQGRUDZFRAIJDF-KBPBESRZSA-N 2 0 287.423 1.370 10 0 CDAERP CC[C@H](C)[C@H](C)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC001196293375 924868246 /nfs/dbraw/zinc/86/82/46/924868246.db2.gz JZZLDFDQRDJWMQ-YDHLFZDLSA-N 2 0 254.418 1.952 10 0 CDAERP C[C@H](CNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)[NH+]1CCCCC1 ZINC000841725333 937012568 /nfs/dbraw/zinc/01/25/68/937012568.db2.gz MHXNPJTWGSCSFU-MGPQQGTHSA-N 2 0 282.432 1.158 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001488683853 926647537 /nfs/dbraw/zinc/64/75/37/926647537.db2.gz OGZSRRKMLKAXGB-UONOGXRCSA-N 2 0 267.417 1.269 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)CN1C(=O)CC[NH+](C)C ZINC001410841571 926658134 /nfs/dbraw/zinc/65/81/34/926658134.db2.gz BYHBRYWCXHMOSU-DZGCQCFKSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)=CC[NH+]1CC[C@@H]1CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001488699478 926671534 /nfs/dbraw/zinc/67/15/34/926671534.db2.gz QLXIOMUPSPGEFG-OAHLLOKOSA-N 2 0 281.444 1.826 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CC1CC(C)C1 ZINC001489132196 926800787 /nfs/dbraw/zinc/80/07/87/926800787.db2.gz HAPJGGIVRFTTCZ-SSHXOBKSSA-N 2 0 295.471 1.953 10 0 CDAERP CCCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1C ZINC001489270717 926861981 /nfs/dbraw/zinc/86/19/81/926861981.db2.gz AMIMZWAYKLXMEU-HIFRSBDPSA-N 2 0 281.444 1.850 10 0 CDAERP CC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C(F)(F)F ZINC001411015491 926892495 /nfs/dbraw/zinc/89/24/95/926892495.db2.gz LTOQNKNTFMJAEH-QWRGUYRKSA-N 2 0 295.349 1.185 10 0 CDAERP C[N@@H+](C/C=C\Cl)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001490233665 927043942 /nfs/dbraw/zinc/04/39/42/927043942.db2.gz PLCXZSNTQXJLMY-DJFZKKHWSA-N 2 0 273.808 1.271 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001490579977 927238551 /nfs/dbraw/zinc/23/85/51/927238551.db2.gz MQWGGBSFUCBECM-CQSZACIVSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCCCCF)C1 ZINC001490580393 927239549 /nfs/dbraw/zinc/23/95/49/927239549.db2.gz ZFSSGGBLOSFCRC-AWEZNQCLSA-N 2 0 287.423 1.657 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CCF)C1CC1 ZINC001490670801 927276381 /nfs/dbraw/zinc/27/63/81/927276381.db2.gz GQCIGOPRJZOGSR-UONOGXRCSA-N 2 0 285.407 1.315 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C[NH+](C)CCF)C2)C1 ZINC001490771277 927336320 /nfs/dbraw/zinc/33/63/20/927336320.db2.gz HKZPZQGRHMLBON-GJZGRUSLSA-N 2 0 299.434 1.468 10 0 CDAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CSC(C)(C)C ZINC000103210949 928027287 /nfs/dbraw/zinc/02/72/87/928027287.db2.gz IFGDSSNMBBMHAH-UHFFFAOYSA-N 2 0 289.489 1.470 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000854014509 928142397 /nfs/dbraw/zinc/14/23/97/928142397.db2.gz XYYQXXUFQAXNHU-LLVKDONJSA-N 2 0 255.406 1.364 10 0 CDAERP [NH3+]CCCCCC[N@@H+]1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000863558316 929570043 /nfs/dbraw/zinc/57/00/43/929570043.db2.gz YZYGCJSAMICYKS-ZDUSSCGKSA-N 2 0 264.373 1.838 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)C[C@@H](O)c1ccccc1 ZINC000817906248 930625413 /nfs/dbraw/zinc/62/54/13/930625413.db2.gz ZBGOXGIPDJWZKM-CWRNSKLLSA-N 2 0 280.412 1.842 10 0 CDAERP CC(C)OC(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000817912492 930629074 /nfs/dbraw/zinc/62/90/74/930629074.db2.gz PWQQVOJUDBZPNK-TZMCWYRMSA-N 2 0 283.416 1.713 10 0 CDAERP CC(C)=CC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001274037429 931135260 /nfs/dbraw/zinc/13/52/60/931135260.db2.gz QSZQQHXWJNRUCH-JBZXTQMFSA-N 2 0 279.428 1.555 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC1CC1 ZINC001274154883 931206151 /nfs/dbraw/zinc/20/61/51/931206151.db2.gz XNVVAQAJTBMTGV-QGZUEGPWSA-N 2 0 293.455 1.779 10 0 CDAERP CC(C)[NH2+]C/C=C/CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001274195642 931228643 /nfs/dbraw/zinc/22/86/43/931228643.db2.gz RMLAHKVRLGSPDE-ONEGZZNKSA-N 2 0 299.378 1.551 10 0 CDAERP CC(C)[NH2+]C/C=C/CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001274367593 931494291 /nfs/dbraw/zinc/49/42/91/931494291.db2.gz CKVIGRIKJVYBJD-MOEXGYKKSA-N 2 0 299.434 1.869 10 0 CDAERP C[C@H](C[NH2+]CCF)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001274753451 931568609 /nfs/dbraw/zinc/56/86/09/931568609.db2.gz SZHCNHGTUJQGHE-ZIAGYGMSSA-N 2 0 299.434 1.705 10 0 CDAERP C[N@@H+]1CCC[C@@H]2CN(C[C@H]3CN(C4CC4)C(=O)O3)CC[C@@H]21 ZINC000844303409 931575200 /nfs/dbraw/zinc/57/52/00/931575200.db2.gz HWDSWLBMCNAHBA-SNPRPXQTSA-N 2 0 293.411 1.386 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)CC1CC([NH3+])C1 ZINC000718048982 931578326 /nfs/dbraw/zinc/57/83/26/931578326.db2.gz CQSYCJMWXCHQFU-HIFPTAJRSA-N 2 0 253.390 1.104 10 0 CDAERP CC/C=C\CC[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001274906683 931606600 /nfs/dbraw/zinc/60/66/00/931606600.db2.gz JZWYLUHKZPWRLA-GEXIGZQTSA-N 2 0 281.444 1.779 10 0 CDAERP C[C@@H](C[NH2+]CCCF)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001275257902 931716398 /nfs/dbraw/zinc/71/63/98/931716398.db2.gz CULPHPHMBRCRCB-LBPRGKRZSA-N 2 0 273.396 1.315 10 0 CDAERP CCCC[NH2+]CC1CC(NC(=O)Cn2ccnc2C)C1 ZINC001275323587 931735322 /nfs/dbraw/zinc/73/53/22/931735322.db2.gz IUOZDASZBUVFJO-UHFFFAOYSA-N 2 0 278.400 1.476 10 0 CDAERP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](CCC(F)(F)F)C1 ZINC001494847630 931741264 /nfs/dbraw/zinc/74/12/64/931741264.db2.gz NRVRURMAQHCBKB-LLVKDONJSA-N 2 0 295.349 1.423 10 0 CDAERP CC(C)[NH+](CCNC(=O)CC[N@@H+]1CC[C@@H](F)C1)C(C)C ZINC001411610970 931914850 /nfs/dbraw/zinc/91/48/50/931914850.db2.gz IAWSWXIRPXGDRQ-CQSZACIVSA-N 2 0 287.423 1.655 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC001411616499 931918406 /nfs/dbraw/zinc/91/84/06/931918406.db2.gz IXMBHMZQJHEKOM-CJNGLKHVSA-N 2 0 293.455 1.850 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)CCCCCF ZINC001275793578 932041862 /nfs/dbraw/zinc/04/18/62/932041862.db2.gz UUOUJKGKWQIRDW-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP CC1(C)[C@H]([NH2+]C[C@@H](O)Cc2ccccc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925499677 932419944 /nfs/dbraw/zinc/41/99/44/932419944.db2.gz SIMJHWBJHDELDR-VVLHAWIVSA-N 2 0 288.435 1.956 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H](C)N1CCCCC1 ZINC000234790884 932591914 /nfs/dbraw/zinc/59/19/14/932591914.db2.gz IHCLZRXYCHAYRW-KBPBESRZSA-N 3 0 257.422 1.204 10 0 CDAERP CC[C@H](C[C@@](C)(O)CC)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000924994018 932841704 /nfs/dbraw/zinc/84/17/04/932841704.db2.gz RMCQGCBKAZSKJY-XHSDSOJGSA-N 2 0 285.476 1.542 10 0 CDAERP CNC(=O)C1CCC([NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925618807 932915792 /nfs/dbraw/zinc/91/57/92/932915792.db2.gz YJLSZCJPYPTBAZ-GNRIBBGQSA-N 2 0 281.444 1.787 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCCN2CCSC[C@H]12 ZINC000925826960 932943523 /nfs/dbraw/zinc/94/35/23/932943523.db2.gz PHROCBOWJJVCRB-WUHRBBMRSA-N 2 0 257.447 1.282 10 0 CDAERP O=C1O[C@H](C[NH2+][C@H](C2CC2)C2CCC2)CC12CC[NH2+]CC2 ZINC000925849259 932945237 /nfs/dbraw/zinc/94/52/37/932945237.db2.gz NRZLNJQOGRBYNB-GJZGRUSLSA-N 2 0 292.423 1.840 10 0 CDAERP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)CCC2(O)CCC2)C1 ZINC000929778029 933267943 /nfs/dbraw/zinc/26/79/43/933267943.db2.gz HUQBLKHSSYJGMT-CVEARBPZSA-N 2 0 298.471 1.706 10 0 CDAERP CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001412794504 934363334 /nfs/dbraw/zinc/36/33/34/934363334.db2.gz WHNTWLXIAYFNFI-PMPSAXMXSA-N 2 0 293.455 1.802 10 0 CDAERP Cc1conc1C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001568613380 1169398890 /nfs/dbraw/zinc/39/88/90/1169398890.db2.gz WIIVHJWANQUIIG-OCCSQVGLSA-N 2 0 294.399 1.062 10 0 CDAERP CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001277218130 942186487 /nfs/dbraw/zinc/18/64/87/942186487.db2.gz PBCHEFFKKKCNTC-STQMWFEESA-N 2 0 255.406 1.365 10 0 CDAERP CCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001281484578 942584585 /nfs/dbraw/zinc/58/45/85/942584585.db2.gz FDRGKHNQBIZYKL-CYBMUJFWSA-N 2 0 267.417 1.461 10 0 CDAERP O=C(CC[NH+]1CCCCC1)NC1CC(C[NH2+]CCCF)C1 ZINC001282083898 942657772 /nfs/dbraw/zinc/65/77/72/942657772.db2.gz IUSHUPNGABKFFM-UHFFFAOYSA-N 2 0 299.434 1.706 10 0 CDAERP C[C@@H](CCC[NH2+]CC1CCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001283262133 942868081 /nfs/dbraw/zinc/86/80/81/942868081.db2.gz UINZGESKFNQDLH-AWEZNQCLSA-N 2 0 293.455 1.757 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001283630992 942952583 /nfs/dbraw/zinc/95/25/83/942952583.db2.gz HXMPJGVHSDAZIJ-UONOGXRCSA-N 2 0 269.433 1.563 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(C(=O)C2([NH+](C)C)CCCC2)C1 ZINC001362195354 971001466 /nfs/dbraw/zinc/00/14/66/971001466.db2.gz XLGJRGRQKUWYFF-AWEZNQCLSA-N 2 0 281.444 1.804 10 0 CDAERP COCC[NH2+]C[C@@H]1CCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001277874864 943935000 /nfs/dbraw/zinc/93/50/00/943935000.db2.gz UMZWINHLUGBASU-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CC/C=C\CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001264410314 944129130 /nfs/dbraw/zinc/12/91/30/944129130.db2.gz MUFARGOSKROUNL-BKBHSOPASA-N 2 0 293.455 1.779 10 0 CDAERP CC1CC(C[N@H+](C)CCCNC(=O)C[NH+]2CCCC2)C1 ZINC001265068458 944221381 /nfs/dbraw/zinc/22/13/81/944221381.db2.gz LBCZHPSSONCYDY-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001265543188 944423573 /nfs/dbraw/zinc/42/35/73/944423573.db2.gz FXEUJBVIALILRH-QLFBSQMISA-N 2 0 281.444 1.898 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001265624208 944450197 /nfs/dbraw/zinc/45/01/97/944450197.db2.gz NQTGJYKRXRJITG-CVEARBPZSA-N 2 0 295.471 1.957 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@H](C[NH2+]CCCF)C1 ZINC001265633325 944451151 /nfs/dbraw/zinc/45/11/51/944451151.db2.gz SKMGJXBLWYVIOB-CQSZACIVSA-N 2 0 287.423 1.516 10 0 CDAERP CCCCC[NH2+]C[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001277982491 944489655 /nfs/dbraw/zinc/48/96/55/944489655.db2.gz VHPJYBWTWHPDNJ-OAHLLOKOSA-N 2 0 293.455 1.853 10 0 CDAERP CCC[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001265909858 944569699 /nfs/dbraw/zinc/56/96/99/944569699.db2.gz HMKGEDABXNMJHE-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCF)C1 ZINC001265977146 944611980 /nfs/dbraw/zinc/61/19/80/944611980.db2.gz UXJDLPNIFNTPNM-KBPBESRZSA-N 2 0 285.407 1.267 10 0 CDAERP CCC[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001266169257 944730655 /nfs/dbraw/zinc/73/06/55/944730655.db2.gz VUGNCNITXYEUKS-UHFFFAOYSA-N 2 0 279.428 1.463 10 0 CDAERP CCCCC[NH2+]C1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001279280866 944791516 /nfs/dbraw/zinc/79/15/16/944791516.db2.gz URHYVOJTTZVOHH-UHFFFAOYSA-N 2 0 269.433 1.707 10 0 CDAERP [NH3+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC001261493044 946143011 /nfs/dbraw/zinc/14/30/11/946143011.db2.gz HMSMZFHHDDKPCW-XUXIUFHCSA-N 2 0 267.417 1.385 10 0 CDAERP CC[C@@H](C(=O)NC/C=C/C[NH2+]C/C=C/Cl)[NH+](C)C ZINC001568920307 1169547654 /nfs/dbraw/zinc/54/76/54/1169547654.db2.gz SGCNNVFGIPHTRD-GZURTZSOSA-N 2 0 273.808 1.341 10 0 CDAERP CN(C[C@H]1CC[N@@H+]1CC1CCC1)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001479260142 971278757 /nfs/dbraw/zinc/27/87/57/971278757.db2.gz GOVHJSMVDMTXJR-HZPDHXFCSA-N 2 0 293.455 1.661 10 0 CDAERP CCC[N@H+](C)CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001479771473 971408652 /nfs/dbraw/zinc/40/86/52/971408652.db2.gz OCSMCNGLSXFEPP-AWEZNQCLSA-N 2 0 267.417 1.176 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH+](C)CCCF)C1 ZINC001479797042 971423994 /nfs/dbraw/zinc/42/39/94/971423994.db2.gz QIDDKYBPJGGFNZ-CYBMUJFWSA-N 2 0 273.396 1.126 10 0 CDAERP C[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)CC1CCC1 ZINC001479812107 971433290 /nfs/dbraw/zinc/43/32/90/971433290.db2.gz GQEOOKCFIBNTHE-AWEZNQCLSA-N 2 0 267.417 1.176 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)C[NH2+]CCF)C1 ZINC001569013459 1169595283 /nfs/dbraw/zinc/59/52/83/1169595283.db2.gz OSTAJISJNQIIGN-CHWSQXEVSA-N 2 0 273.396 1.172 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001479964503 971512993 /nfs/dbraw/zinc/51/29/93/971512993.db2.gz XZEXKUHHYQZISJ-CYSIVNQBSA-N 2 0 281.444 1.873 10 0 CDAERP CC[C@@H](C(=O)N1CC[C@](C)(C[NH2+]CCCF)C1)[NH+](C)C ZINC001278572890 950213013 /nfs/dbraw/zinc/21/30/13/950213013.db2.gz RDACZYYOACJDTD-DZGCQCFKSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@@H](C[NH+](C)C)NC(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC001362848581 971664174 /nfs/dbraw/zinc/66/41/74/971664174.db2.gz OZKQFXMCUNDOKB-LBPRGKRZSA-N 2 0 279.384 1.555 10 0 CDAERP C[NH+](C)C1(C(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)CCCC1 ZINC001362872281 971683328 /nfs/dbraw/zinc/68/33/28/971683328.db2.gz ZZVSSCXVOYQVIP-MRXNPFEDSA-N 2 0 293.455 1.805 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N2CCCC[C@@H]2C[NH2+]CCCF)C1 ZINC001480364901 971689856 /nfs/dbraw/zinc/68/98/56/971689856.db2.gz JBKRCKOPHQBLAV-HUUCEWRRSA-N 2 0 299.434 1.659 10 0 CDAERP CC[NH2+]C[C@@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001480366100 971689978 /nfs/dbraw/zinc/68/99/78/971689978.db2.gz SDWNJAAUEVMHDR-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP CCCC[NH2+]C1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001480411586 971706838 /nfs/dbraw/zinc/70/68/38/971706838.db2.gz QRRIKFPPFCMLAG-NFOMZHRRSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccns1 ZINC001480753987 971863338 /nfs/dbraw/zinc/86/33/38/971863338.db2.gz OSHMTPPKHXGXFP-AAEUAGOBSA-N 2 0 296.440 1.222 10 0 CDAERP CC(C)[C@H](C(=O)N1CC[C@](C)(C[NH2+]CCF)C1)[NH+](C)C ZINC001324781740 953573019 /nfs/dbraw/zinc/57/30/19/953573019.db2.gz AJKQRFSCMTWQDK-UKRRQHHQSA-N 2 0 287.423 1.370 10 0 CDAERP Cc1cc([C@@H]([NH3+])CC(=O)NCCCC[NH3+])cc(Cl)n1 ZINC001326374551 954348061 /nfs/dbraw/zinc/34/80/61/954348061.db2.gz AOTJAYJDMLIUNG-NSHDSACASA-N 2 0 284.791 1.288 10 0 CDAERP C[C@H]1CC[C@@H]1NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001364294787 954433540 /nfs/dbraw/zinc/43/35/40/954433540.db2.gz WXWXQBQMZHVHRK-YJNKXOJESA-N 2 0 296.459 1.166 10 0 CDAERP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001363244644 972015073 /nfs/dbraw/zinc/01/50/73/972015073.db2.gz FTXUHHBINNPWGQ-CABCVRRESA-N 2 0 299.434 1.657 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC001295174850 954623374 /nfs/dbraw/zinc/62/33/74/954623374.db2.gz NUWVHYNFRAHYLN-JHJVBQTASA-N 2 0 255.406 1.125 10 0 CDAERP CC(C)CCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001327033064 954670692 /nfs/dbraw/zinc/67/06/92/954670692.db2.gz ATGUXQAQOVOTPC-OAHLLOKOSA-N 2 0 299.459 1.191 10 0 CDAERP CC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)CCO1 ZINC001327082339 954695334 /nfs/dbraw/zinc/69/53/34/954695334.db2.gz RRKWJOVYEPPXRT-OAHLLOKOSA-N 2 0 297.443 1.089 10 0 CDAERP CC[C@@H](O)C[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001363308987 972074503 /nfs/dbraw/zinc/07/45/03/972074503.db2.gz DIMQKFGPAULNJA-CQSZACIVSA-N 2 0 270.417 1.070 10 0 CDAERP COCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)C(C)C ZINC001421641845 955448609 /nfs/dbraw/zinc/44/86/09/955448609.db2.gz SXMOJYCCGHAEGK-HUUCEWRRSA-N 2 0 297.443 1.038 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001421944023 955665550 /nfs/dbraw/zinc/66/55/50/955665550.db2.gz WKTJLPQODFGAFA-ZNMIVQPWSA-N 2 0 283.460 1.809 10 0 CDAERP C[C@H](NC(=O)CC[NH+]1CCCCC1)[C@H](C)[NH2+]CC1CC1 ZINC001422448222 956015237 /nfs/dbraw/zinc/01/52/37/956015237.db2.gz MIUHEDXOOTUUBM-KBPBESRZSA-N 2 0 281.444 1.755 10 0 CDAERP Cc1ncc(C[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C2CCC2)o1 ZINC001422503901 956101209 /nfs/dbraw/zinc/10/12/09/956101209.db2.gz CYMOBJNWQIAGIJ-LLVKDONJSA-N 2 0 294.399 1.062 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)CCC1CC1 ZINC001422505222 956102013 /nfs/dbraw/zinc/10/20/13/956102013.db2.gz DVYFLWXZUIGFJT-GZBFAFLISA-N 2 0 281.444 1.563 10 0 CDAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[N@H+](C)CC1CCC1 ZINC001422588547 956176687 /nfs/dbraw/zinc/17/66/87/956176687.db2.gz RCKIDGWILNLBJD-ZDUSSCGKSA-N 2 0 279.428 1.319 10 0 CDAERP CCCC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001494021087 972164479 /nfs/dbraw/zinc/16/44/79/972164479.db2.gz OIXWRXNYCMSUQA-OWCLPIDISA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2CCC(=O)O2)[C@@H](C)C1 ZINC001330548025 956473440 /nfs/dbraw/zinc/47/34/40/956473440.db2.gz VABLXSKHGRYALB-XQQFMLRXSA-N 2 0 254.374 1.354 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001365971055 956476205 /nfs/dbraw/zinc/47/62/05/956476205.db2.gz MBXCAHAHUGBLNM-CABCVRRESA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H]([NH2+]C1(CNC(=O)CC[NH+](C)C)CC1)c1ccccc1 ZINC001423273541 956699545 /nfs/dbraw/zinc/69/95/45/956699545.db2.gz JMCQGKKDPYUAFQ-CQSZACIVSA-N 2 0 289.423 1.938 10 0 CDAERP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]C/C=C/Cl ZINC001366346904 956763086 /nfs/dbraw/zinc/76/30/86/956763086.db2.gz PSOAPXXZQHGIHC-CHULQOHASA-N 2 0 273.808 1.175 10 0 CDAERP CC[C@H](C(=O)N1CC[C@](C)(C[NH2+]CC2CCC2)C1)[NH+](C)C ZINC001423630195 956911938 /nfs/dbraw/zinc/91/19/38/956911938.db2.gz GNYJASSDBZDRKF-NVXWUHKLSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]([NH2+]CC=C(C)C)C1CC1)[NH+](C)C ZINC001317030508 956934006 /nfs/dbraw/zinc/93/40/06/956934006.db2.gz OTDKWYCSVOSQJV-HUUCEWRRSA-N 2 0 281.444 1.777 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCC1)[NH+](C)C ZINC001366671349 957101207 /nfs/dbraw/zinc/10/12/07/957101207.db2.gz NYBTWRPXPPLQFF-LSDHHAIUSA-N 2 0 281.444 1.707 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CCF)C1 ZINC001366832347 957210244 /nfs/dbraw/zinc/21/02/44/957210244.db2.gz FHQISNWBFOFFLT-KGLIPLIRSA-N 2 0 285.407 1.268 10 0 CDAERP C[NH+](C)C1(C(=O)NCC2C[NH+](CCC3CC3)C2)CCC1 ZINC001494559962 972256605 /nfs/dbraw/zinc/25/66/05/972256605.db2.gz WNVFNJJAMCGJNI-UHFFFAOYSA-N 2 0 279.428 1.319 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC001367033598 957354723 /nfs/dbraw/zinc/35/47/23/957354723.db2.gz SDLQALHNFYYAOC-OAHLLOKOSA-N 2 0 293.386 1.468 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001367059459 957374921 /nfs/dbraw/zinc/37/49/21/957374921.db2.gz NHUBUPYAZHNKQC-CVEARBPZSA-N 2 0 295.471 1.907 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001367061820 957377741 /nfs/dbraw/zinc/37/77/41/957377741.db2.gz WJPXTKOMSARDBH-CABCVRRESA-N 2 0 283.460 1.905 10 0 CDAERP CC(C)=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001332028464 957406668 /nfs/dbraw/zinc/40/66/68/957406668.db2.gz OESVWWBYDVAWDC-ZIAGYGMSSA-N 2 0 267.417 1.483 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CCNC(=O)C[NH+]1CCCC1 ZINC001317414282 957461348 /nfs/dbraw/zinc/46/13/48/957461348.db2.gz PMYGBTJNVSYLFI-ZDUSSCGKSA-N 2 0 255.406 1.223 10 0 CDAERP CC(C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001425417836 957528742 /nfs/dbraw/zinc/52/87/42/957528742.db2.gz XMDIBCZYFKBNSI-JYJNAYRXSA-N 2 0 295.471 2.000 10 0 CDAERP CC(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001425492370 957542919 /nfs/dbraw/zinc/54/29/19/957542919.db2.gz KOBGEJBAKRGGCT-GDBMZVCRSA-N 2 0 295.471 1.811 10 0 CDAERP Cc1ncc(C[NH2+]CCN(C)C(=O)C2([NH+](C)C)CCC2)o1 ZINC001317595483 957589241 /nfs/dbraw/zinc/58/92/41/957589241.db2.gz DTJKMVDZHQVWGB-UHFFFAOYSA-N 2 0 294.399 1.015 10 0 CDAERP CC(C)[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)CC1CC1 ZINC001317708601 957644452 /nfs/dbraw/zinc/64/44/52/957644452.db2.gz IWKDGQTYZFNDSJ-HNNXBMFYSA-N 2 0 281.444 1.565 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCCOC ZINC001317746375 957652392 /nfs/dbraw/zinc/65/23/92/957652392.db2.gz GPQIMORLQKOCPF-GASCZTMLSA-N 2 0 297.443 1.040 10 0 CDAERP CCN1CCO[C@@H](C(=O)N[C@@H](C[NH2+]C(C)C)C(C)(C)C)C1 ZINC001426163418 957815849 /nfs/dbraw/zinc/81/58/49/957815849.db2.gz JORFWFOKUYSTOG-KGLIPLIRSA-N 2 0 299.459 1.236 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CC2CC2)C1 ZINC001367456894 958027665 /nfs/dbraw/zinc/02/76/65/958027665.db2.gz WPHNESCSTBGUFJ-ZBFHGGJFSA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](CCCO)C1)[NH+](CC)CC ZINC001494852391 972323701 /nfs/dbraw/zinc/32/37/01/972323701.db2.gz AEEDLDSBYVNOOP-HUUCEWRRSA-N 2 0 299.459 1.022 10 0 CDAERP CCCC[NH2+][C@@H](CC)CNC(=O)C1CC[NH+](C)CC1 ZINC001318569913 958175947 /nfs/dbraw/zinc/17/59/47/958175947.db2.gz XCAIKODHCOBHAV-AWEZNQCLSA-N 2 0 269.433 1.613 10 0 CDAERP C[C@H](C[NH2+]Cc1ccns1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001367707167 958236756 /nfs/dbraw/zinc/23/67/56/958236756.db2.gz QAFZKMBMTFVMEN-NEPJUHHUSA-N 2 0 296.440 1.079 10 0 CDAERP CCC(CC)C[NH2+]C[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001367771127 958319528 /nfs/dbraw/zinc/31/95/28/958319528.db2.gz KUUNNWNGMZQFGO-ZFWWWQNUSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@H](C[N@H+](C)CCC1CC1)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001367829153 958408933 /nfs/dbraw/zinc/40/89/33/958408933.db2.gz FNBSENUZMMXRDI-YCPHGPKFSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@@H](F)CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001368001210 958569477 /nfs/dbraw/zinc/56/94/77/958569477.db2.gz CXRKRQCABZGNDP-JHJVBQTASA-N 2 0 285.407 1.313 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+](C)C(C)C ZINC001368127219 958654313 /nfs/dbraw/zinc/65/43/13/958654313.db2.gz ZQWWEEDOPGTGND-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CC1CC(C)(C)C1 ZINC001495048347 972389607 /nfs/dbraw/zinc/38/96/07/972389607.db2.gz BYYWAMQFZLSLJA-CQSZACIVSA-N 2 0 283.460 1.859 10 0 CDAERP CC[C@@H](C(=O)N1CCC(CC)([NH2+]C[C@H](C)O)CC1)[NH+](C)C ZINC001368597635 958989918 /nfs/dbraw/zinc/98/99/18/958989918.db2.gz HQTOXPJILFYRJR-KBPBESRZSA-N 2 0 299.459 1.068 10 0 CDAERP CC[C@@H](C)C[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001368670675 959025975 /nfs/dbraw/zinc/02/59/75/959025975.db2.gz MAGHTWKBHONSMC-CABCVRRESA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](F)CC[NH2+]C1(C)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001368667761 959026011 /nfs/dbraw/zinc/02/60/11/959026011.db2.gz DCDPYILOXSJVEG-AWEZNQCLSA-N 2 0 299.434 1.801 10 0 CDAERP CCCC[NH2+]C[C@@H](O)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001320283460 959050271 /nfs/dbraw/zinc/05/02/71/959050271.db2.gz NOKDPWDFHANCCF-LSDHHAIUSA-N 2 0 299.459 1.118 10 0 CDAERP Cc1n[nH]c(=O)c(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)c1C ZINC001334390211 959079146 /nfs/dbraw/zinc/07/91/46/959079146.db2.gz MARYYWLFEZGNFA-RYUDHWBXSA-N 2 0 262.357 1.159 10 0 CDAERP O[C@@H]1CCC[C@@H](C[NH2+][C@H]2CC[NH2+]C23CCCC3)C1 ZINC001334389471 959079633 /nfs/dbraw/zinc/07/96/33/959079633.db2.gz HMRHMLJWFVXBOK-MCIONIFRSA-N 2 0 252.402 1.802 10 0 CDAERP CCC[NH2+]C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1CC1 ZINC001569320656 1169764713 /nfs/dbraw/zinc/76/47/13/1169764713.db2.gz YETVPKQTZIQRCU-OLZOCXBDSA-N 2 0 255.406 1.221 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)C1C[NH+](CC[C@H](C)F)C1 ZINC001369165331 959496479 /nfs/dbraw/zinc/49/64/79/959496479.db2.gz QFTWXUGONLEFEY-STQMWFEESA-N 2 0 287.423 1.513 10 0 CDAERP CC[NH2+]CC1(NC(=O)[C@@H]2CCCC[N@@H+]2C)CCCC1 ZINC001495182301 972434669 /nfs/dbraw/zinc/43/46/69/972434669.db2.gz UWFBYGUYHLJJMI-ZDUSSCGKSA-N 2 0 267.417 1.509 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@@H]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001369178912 959507244 /nfs/dbraw/zinc/50/72/44/959507244.db2.gz GJGPMWRZJJUHAI-TUVASFSCSA-N 2 0 283.460 1.857 10 0 CDAERP CC[C@H](C(=O)NC/C=C/C[NH2+]C[C@H]1CCCOC1)[NH+](C)C ZINC001321107900 959598065 /nfs/dbraw/zinc/59/80/65/959598065.db2.gz BZOOHDBRVKBAQC-XEVLESSRSA-N 2 0 297.443 1.015 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC/C=C\C[NH2+]Cc1cccnc1 ZINC001321418561 959775098 /nfs/dbraw/zinc/77/50/98/959775098.db2.gz DUXPKUSBLFTPGO-PLNGDYQASA-N 2 0 290.411 1.184 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC/C=C\C[NH2+]CCC(F)(F)F ZINC001321420074 959777954 /nfs/dbraw/zinc/77/79/54/959777954.db2.gz RHSRCUCDERZPFK-PLNGDYQASA-N 2 0 295.349 1.541 10 0 CDAERP Cc1oncc1CN1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001369845953 959891593 /nfs/dbraw/zinc/89/15/93/959891593.db2.gz VRJLZAIYWFBNKZ-CQSZACIVSA-N 2 0 294.399 1.015 10 0 CDAERP CC(C)CC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001370405768 960084594 /nfs/dbraw/zinc/08/45/94/960084594.db2.gz RNEZCWAFRCAWSK-GJZGRUSLSA-N 2 0 281.444 1.565 10 0 CDAERP COCC[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001322722281 960305616 /nfs/dbraw/zinc/30/56/16/960305616.db2.gz BXGBDIAZMFRKFT-OAHLLOKOSA-N 2 0 299.459 1.334 10 0 CDAERP CC[C@H](C)C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001418763421 960994953 /nfs/dbraw/zinc/99/49/53/960994953.db2.gz LDDLWSLRIAKXMU-SQWLQELKSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CCCF)[NH+](C)C ZINC001324264121 961268679 /nfs/dbraw/zinc/26/86/79/961268679.db2.gz QWIWNOTWHJRLGY-KBPBESRZSA-N 2 0 287.423 1.513 10 0 CDAERP C[C@@H](F)CC[NH+]1CC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001419034690 961286675 /nfs/dbraw/zinc/28/66/75/961286675.db2.gz GKHSKBJNNUJPOL-OLZOCXBDSA-N 2 0 285.407 1.124 10 0 CDAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1nccs1 ZINC001419279455 961576841 /nfs/dbraw/zinc/57/68/41/961576841.db2.gz GTWGDDPLBLYRBG-RYUDHWBXSA-N 2 0 296.440 1.079 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ocnc2C)C1)[NH+](C)C ZINC001419413713 961673585 /nfs/dbraw/zinc/67/35/85/961673585.db2.gz QLCLFLMBQLYZBW-AVGNSLFASA-N 2 0 294.399 1.060 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001419479581 961748226 /nfs/dbraw/zinc/74/82/26/961748226.db2.gz QSSJHMQUOXWGNO-ZIAGYGMSSA-N 2 0 299.434 1.705 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+]Cc1cscn1 ZINC001419542736 961800207 /nfs/dbraw/zinc/80/02/07/961800207.db2.gz UHZIKXDBFWJTKN-LBPRGKRZSA-N 2 0 298.456 1.325 10 0 CDAERP CCC(CC)C[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001419987672 962330839 /nfs/dbraw/zinc/33/08/39/962330839.db2.gz GDIIANZQBNTUBY-HNNXBMFYSA-N 2 0 283.460 1.812 10 0 CDAERP C[N@@H+]1C[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C(C)(C)C1 ZINC001420015770 962370971 /nfs/dbraw/zinc/37/09/71/962370971.db2.gz OQAKIKPCAYXZKN-LRDDRELGSA-N 2 0 299.434 1.655 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]([NH2+]C/C=C\Cl)C1 ZINC001436926206 962500868 /nfs/dbraw/zinc/50/08/68/962500868.db2.gz CDIWHQGKIDTKMW-JFTFRDNBSA-N 2 0 271.792 1.072 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)CCC1CC1 ZINC001420314323 962726230 /nfs/dbraw/zinc/72/62/30/962726230.db2.gz OPFNNUMYQYETAJ-HOTGVXAUSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@H](CCNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC[C@H](C)F ZINC001437383061 962853404 /nfs/dbraw/zinc/85/34/04/962853404.db2.gz QMICDQSFDZAREL-QWHCGFSZSA-N 2 0 287.423 1.703 10 0 CDAERP COCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001420673182 963175744 /nfs/dbraw/zinc/17/57/44/963175744.db2.gz HCDMYEGLIZGTMP-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)CC(C)C ZINC001420688057 963178330 /nfs/dbraw/zinc/17/83/30/963178330.db2.gz XUZPVWQHVUMWDN-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001437915652 963236946 /nfs/dbraw/zinc/23/69/46/963236946.db2.gz HEUQPLUQMWBQKD-BZUAXINKSA-N 2 0 295.471 1.811 10 0 CDAERP C[C@H](F)CC[NH+]1CC(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001438131516 963334660 /nfs/dbraw/zinc/33/46/60/963334660.db2.gz XCQDOIRXBKPSKD-LBPRGKRZSA-N 2 0 285.407 1.267 10 0 CDAERP CC[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]Cc1ocnc1C ZINC001438380891 963437196 /nfs/dbraw/zinc/43/71/96/963437196.db2.gz YFUDCGJYRNMLKG-CYBMUJFWSA-N 2 0 296.415 1.308 10 0 CDAERP CC(C)[NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CCCC1 ZINC001421165362 963481635 /nfs/dbraw/zinc/48/16/35/963481635.db2.gz CICZXMLCXNEHEV-HNNXBMFYSA-N 2 0 293.455 1.755 10 0 CDAERP C[C@H](C[NH2+]Cc1ccsc1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001438635909 963508719 /nfs/dbraw/zinc/50/87/19/963508719.db2.gz MHUNXRMEJSFGKG-TZMCWYRMSA-N 2 0 295.452 1.779 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CC1CC1 ZINC001421450087 963612642 /nfs/dbraw/zinc/61/26/42/963612642.db2.gz IYTLRHJXRURMMN-AEGPPILISA-N 2 0 281.444 1.611 10 0 CDAERP CC[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001439683376 963838065 /nfs/dbraw/zinc/83/80/65/963838065.db2.gz JDZGNPNPIMVGQN-INIZCTEOSA-N 2 0 295.471 1.907 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001439813035 963866691 /nfs/dbraw/zinc/86/66/91/963866691.db2.gz LPJBPXLJTKHVBJ-ZFWWWQNUSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001440305987 963978957 /nfs/dbraw/zinc/97/89/57/963978957.db2.gz PYBWFIYHVKBOHB-ZQDZILKHSA-N 2 0 299.434 1.561 10 0 CDAERP CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[NH+](C)C)C2)CC1 ZINC001440416547 964028722 /nfs/dbraw/zinc/02/87/22/964028722.db2.gz MENTUGNHMGSRKZ-CQSZACIVSA-N 2 0 281.444 1.661 10 0 CDAERP CC(C)[NH+](C)CC(=O)N1CCCC[C@H]1C[N@@H+](C)C[C@@H](C)O ZINC001440522749 964101627 /nfs/dbraw/zinc/10/16/27/964101627.db2.gz ZQXDFQKWRGZUCR-CABCVRRESA-N 2 0 299.459 1.020 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCC1 ZINC001440733843 964148708 /nfs/dbraw/zinc/14/87/08/964148708.db2.gz JKLVPVMJVTYEPK-OAHLLOKOSA-N 2 0 281.444 1.661 10 0 CDAERP CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001440836346 964202903 /nfs/dbraw/zinc/20/29/03/964202903.db2.gz MMGWQDAMUNRSPU-QWHCGFSZSA-N 2 0 271.449 1.857 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccccn1 ZINC001440858483 964214078 /nfs/dbraw/zinc/21/40/78/964214078.db2.gz UXFNEFNXVIFBTO-UONOGXRCSA-N 2 0 292.427 1.406 10 0 CDAERP CC[C@@H](C[NH+]1CC([C@H](C)NC(=O)C[N@H+](C)C(C)C)C1)OC ZINC001441205787 964411844 /nfs/dbraw/zinc/41/18/44/964411844.db2.gz JPYJTKVEYQSNRQ-ZFWWWQNUSA-N 2 0 299.459 1.188 10 0 CDAERP C[N@H+](CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CC2)C1)CC(C)(C)C ZINC001441514667 964564863 /nfs/dbraw/zinc/56/48/63/964564863.db2.gz YQFDLOOLDWIDQR-OKILXGFUSA-N 2 0 281.444 1.611 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001441520596 964570508 /nfs/dbraw/zinc/57/05/08/964570508.db2.gz DXPMCHRZUUGHLM-KFWWJZLASA-N 2 0 299.434 1.703 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001441634255 964627956 /nfs/dbraw/zinc/62/79/56/964627956.db2.gz VXTGINUWZHOOLQ-CABCVRRESA-N 2 0 281.444 1.851 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]C/C=C/Cl ZINC001441816765 964731672 /nfs/dbraw/zinc/73/16/72/964731672.db2.gz FETSOSSXEMMVLL-QXAKWMLCSA-N 2 0 273.808 1.173 10 0 CDAERP CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]21 ZINC001441883124 964765119 /nfs/dbraw/zinc/76/51/19/964765119.db2.gz VKKVNPNBPAVGTB-SOUVJXGZSA-N 2 0 281.444 1.563 10 0 CDAERP C[C@H](CNC(=O)CCC[NH+](C)C)[NH2+]Cc1ccsc1 ZINC001441943897 964800972 /nfs/dbraw/zinc/80/09/72/964800972.db2.gz PSHXIBISMXDXRW-GFCCVEGCSA-N 2 0 283.441 1.684 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+](Cc2ccns2)C1 ZINC001442885114 965258224 /nfs/dbraw/zinc/25/82/24/965258224.db2.gz DNAFEEFFFVEKCD-GFCCVEGCSA-N 2 0 296.440 1.033 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NCC[NH+](CC2CC2)C2CC2)C1 ZINC001443044099 965328818 /nfs/dbraw/zinc/32/88/18/965328818.db2.gz MNMVFALMGWLYCQ-CQSZACIVSA-N 2 0 279.428 1.319 10 0 CDAERP CCCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CCCF)C1 ZINC001443179071 965382575 /nfs/dbraw/zinc/38/25/75/965382575.db2.gz SBFRIHLBRRFXPK-CABCVRRESA-N 2 0 299.434 1.753 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001444513101 965857371 /nfs/dbraw/zinc/85/73/71/965857371.db2.gz WHCZFRAMBPTWII-HZSPNIEDSA-N 2 0 269.433 1.515 10 0 CDAERP CCC[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001446291176 966505697 /nfs/dbraw/zinc/50/56/97/966505697.db2.gz AVJZNZYUSUHILB-CQSZACIVSA-N 2 0 281.444 1.755 10 0 CDAERP CO[C@H]1C[C@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC001350956108 966811280 /nfs/dbraw/zinc/81/12/80/966811280.db2.gz LZFLPJIEYHGZDG-KJWHEZOQSA-N 2 0 268.401 1.158 10 0 CDAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]C/C=C/Cl ZINC001447542947 966813227 /nfs/dbraw/zinc/81/32/27/966813227.db2.gz NFKLMLCNNVSNCD-XCOQAZTISA-N 2 0 273.808 1.127 10 0 CDAERP CCN1CC[C@H]1C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC001539000037 967077748 /nfs/dbraw/zinc/07/77/48/967077748.db2.gz NCEMKPQKOKGKMA-HNNXBMFYSA-N 2 0 281.444 1.851 10 0 CDAERP O=C(CC[N@H+]1CC[C@H](F)C1)NCCC[NH+]1CCCC1 ZINC001539096502 967081197 /nfs/dbraw/zinc/08/11/97/967081197.db2.gz FGGBHTBGRKRKDU-ZDUSSCGKSA-N 2 0 271.380 1.022 10 0 CDAERP CC[C@@H](C)C[NH2+][C@@H](C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001448669935 967201001 /nfs/dbraw/zinc/20/10/01/967201001.db2.gz WSOJJOYUQDKVRK-KGLIPLIRSA-N 2 0 283.460 1.953 10 0 CDAERP CC[NH2+][C@H](C)CN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001448732752 967232864 /nfs/dbraw/zinc/23/28/64/967232864.db2.gz ZISYLQVVJDSEFD-DOMZBBRYSA-N 2 0 287.423 1.655 10 0 CDAERP CC[N@@H+]1CC[C@]2(NC(=O)CCCn3ccnc3)CCC[C@H]12 ZINC001449011683 967331342 /nfs/dbraw/zinc/33/13/42/967331342.db2.gz JTUQQBGYSVFBPA-GOEBONIOSA-N 2 0 290.411 1.796 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]CC2CC2)C(C)(C)C)C1 ZINC001449325571 967433494 /nfs/dbraw/zinc/43/34/94/967433494.db2.gz NZORKTSHCYNIKT-KBPBESRZSA-N 2 0 281.444 1.469 10 0 CDAERP Cc1cc(C[NH2+][C@@H](C)CNC(=O)CC[NH+](C)C)cs1 ZINC001480530731 968116563 /nfs/dbraw/zinc/11/65/63/968116563.db2.gz NCSSOVFJHCLPQM-NSHDSACASA-N 2 0 283.441 1.603 10 0 CDAERP FC(F)(F)c1c[nH+]ccc1N1CC([NH2+][C@H]2CCOC2)C1 ZINC001472888676 968970181 /nfs/dbraw/zinc/97/01/81/968970181.db2.gz LFHJBIXILMXMCU-VIFPVBQESA-N 2 0 287.285 1.668 10 0 CDAERP CC[NH+](CC)CC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001529415076 969040296 /nfs/dbraw/zinc/04/02/96/969040296.db2.gz LNCXUVZJBWBMSQ-QWHCGFSZSA-N 2 0 255.406 1.175 10 0 CDAERP CC[NH+]1CCC(CNC(=O)C2([NH+](C)C)CCCC2)CC1 ZINC001464417982 969787649 /nfs/dbraw/zinc/78/76/49/969787649.db2.gz CVJXCCSGUSRXLY-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC2=[NH+]CCCCN2)C1 ZINC000849215329 969916727 /nfs/dbraw/zinc/91/67/27/969916727.db2.gz CPHPBOFFOHTIAD-OKILXGFUSA-N 2 0 266.433 1.683 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2C[C@H]3C[NH+](C)C[C@@]3(C)C2)CC[N@@H+]1C ZINC001361689411 970425298 /nfs/dbraw/zinc/42/52/98/970425298.db2.gz RJSHUGUQYLDKFB-AYDFFVQHSA-N 2 0 279.428 1.127 10 0 CDAERP CCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001361740288 970481250 /nfs/dbraw/zinc/48/12/50/970481250.db2.gz AQNYEDIMTIZNHO-OAHLLOKOSA-N 2 0 281.444 1.661 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001361951732 970709387 /nfs/dbraw/zinc/70/93/87/970709387.db2.gz IXBUKBAYJZWGMH-KFWWJZLASA-N 2 0 281.444 1.565 10 0 CDAERP CC[NH2+]CC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001497241059 973257526 /nfs/dbraw/zinc/25/75/26/973257526.db2.gz KRVMIOPVWFJQNP-GFCCVEGCSA-N 2 0 255.406 1.365 10 0 CDAERP Cc1cnc([C@@H](C)[NH2+]CC[C@H](C)NC(=O)CC[NH+](C)C)o1 ZINC001497266176 973267951 /nfs/dbraw/zinc/26/79/51/973267951.db2.gz XHSGQVQMQQXGCP-WCQYABFASA-N 2 0 296.415 1.480 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001373278761 973343658 /nfs/dbraw/zinc/34/36/58/973343658.db2.gz FVOPXJBEGLJKMA-HRCADAONSA-N 2 0 295.471 1.907 10 0 CDAERP COCC[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@H]1C ZINC001417854802 973419403 /nfs/dbraw/zinc/41/94/03/973419403.db2.gz RBNAZANOXAKLBN-ILXRZTDVSA-N 2 0 297.443 1.086 10 0 CDAERP CCC[NH2+]C/C=C/CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001497586519 973421562 /nfs/dbraw/zinc/42/15/62/973421562.db2.gz WGXOYYZPSGLWDG-RDFMZFSFSA-N 2 0 265.401 1.000 10 0 CDAERP CC(C)CC[NH+]1CC(CNC(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001373541942 973484676 /nfs/dbraw/zinc/48/46/76/973484676.db2.gz ACJFQDIHGGJYSF-CYBMUJFWSA-N 2 0 292.427 1.682 10 0 CDAERP Cc1ccncc1C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001418044764 973546832 /nfs/dbraw/zinc/54/68/32/973546832.db2.gz YXEPQXPPFAJWJM-HNNXBMFYSA-N 2 0 290.411 1.032 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001418149502 973610170 /nfs/dbraw/zinc/61/01/70/973610170.db2.gz YKYJZZJLGBZPOO-HNNXBMFYSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@H](CNC(=O)CCC[NH+](C)C)[NH2+]Cc1cncc(F)c1 ZINC001418262415 973703145 /nfs/dbraw/zinc/70/31/45/973703145.db2.gz FPVOUTFFAODHOS-GFCCVEGCSA-N 2 0 296.390 1.157 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)[NH2+]CCF)C1 ZINC001418262731 973706951 /nfs/dbraw/zinc/70/69/51/973706951.db2.gz BQKPBVLRCPBEFQ-QWHCGFSZSA-N 2 0 273.396 1.172 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]C/C=C/c1ccccc1 ZINC001418269364 973712723 /nfs/dbraw/zinc/71/27/23/973712723.db2.gz QJIYBVSMCABMBH-VSGCLNPGSA-N 2 0 289.423 1.746 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC=C(C)C ZINC001498197546 973736097 /nfs/dbraw/zinc/73/60/97/973736097.db2.gz PFRVDODBMOWGKA-LSDHHAIUSA-N 2 0 281.444 1.921 10 0 CDAERP CC[C@@H](C)C[NH+]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001374298027 973881845 /nfs/dbraw/zinc/88/18/45/973881845.db2.gz GKUCUIXOEAMTMN-ZBFHGGJFSA-N 2 0 293.455 1.519 10 0 CDAERP CC(C)C[N@H+](C)C[C@@H](C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001498427355 973906449 /nfs/dbraw/zinc/90/64/49/973906449.db2.gz WDNCRAKXHRUDSS-ZIAGYGMSSA-N 2 0 269.433 1.421 10 0 CDAERP CC(C)[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001498760566 974051723 /nfs/dbraw/zinc/05/17/23/974051723.db2.gz OELMFBVIFVYBOD-LSDHHAIUSA-N 2 0 281.444 1.752 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(C)C)C1 ZINC001374927028 974181764 /nfs/dbraw/zinc/18/17/64/974181764.db2.gz HXFZXENPBGXNFQ-LSDHHAIUSA-N 2 0 283.460 1.859 10 0 CDAERP CN(C(=O)CCC[NH+]1CCCCC1)C1C[NH+](CC2CC2)C1 ZINC001499793027 974304274 /nfs/dbraw/zinc/30/42/74/974304274.db2.gz YNBLEEBKZVEBAX-UHFFFAOYSA-N 2 0 293.455 1.805 10 0 CDAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC2)C1 ZINC001375512290 974409081 /nfs/dbraw/zinc/40/90/81/974409081.db2.gz BBMQSTYLFLUXTP-DARAHFNDSA-N 2 0 293.455 1.754 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@](C)(NC(=O)Cc2cncn2C)C1 ZINC001375845026 974493588 /nfs/dbraw/zinc/49/35/88/974493588.db2.gz DCYVJAMPXMXNEM-INIZCTEOSA-N 2 0 292.427 1.589 10 0 CDAERP CC(C)[NH2+]C[C@H]1CC[C@H](CNC(=O)CC[NH+](C)C)CC1 ZINC001501187116 974545790 /nfs/dbraw/zinc/54/57/90/974545790.db2.gz XSWAAPYTHYXGTL-SHTZXODSSA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C ZINC001501400077 974579140 /nfs/dbraw/zinc/57/91/40/974579140.db2.gz OQRPARKTVCGRFT-HOTGVXAUSA-N 2 0 293.455 1.970 10 0 CDAERP CC(C)[NH2+]CC[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001501619347 974608989 /nfs/dbraw/zinc/60/89/89/974608989.db2.gz SYIFCGCUEROFDH-LSDHHAIUSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)C[NH2+][C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001376227234 974609845 /nfs/dbraw/zinc/60/98/45/974609845.db2.gz XZZISUNEGJTTHO-JKSUJKDBSA-N 2 0 293.455 1.469 10 0 CDAERP CC[N@@H+]1CCC[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001376507587 974678076 /nfs/dbraw/zinc/67/80/76/974678076.db2.gz GQNGQUGZAGCDBL-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001376593099 974694060 /nfs/dbraw/zinc/69/40/60/974694060.db2.gz YAOXRGUHCFVGLI-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@H](C[NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1)OC ZINC001376780407 974763453 /nfs/dbraw/zinc/76/34/53/974763453.db2.gz AVKPMTJKIYNCFT-UONOGXRCSA-N 2 0 299.459 1.380 10 0 CDAERP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CC1CCCC1 ZINC001376804675 974777345 /nfs/dbraw/zinc/77/73/45/974777345.db2.gz DLIAXNUMSVRMKT-CYBMUJFWSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)[C@@H](CC)[NH+](C)C)CCC1 ZINC001376808121 974778194 /nfs/dbraw/zinc/77/81/94/974778194.db2.gz GRPHWWISBWJLKO-CHWSQXEVSA-N 2 0 287.423 1.703 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H]([N@H+](C)C/C=C/Cl)C1 ZINC001376981734 974838424 /nfs/dbraw/zinc/83/84/24/974838424.db2.gz RNIBGHRTQJUVEP-OQHXTRMZSA-N 2 0 287.835 1.613 10 0 CDAERP COCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001505605520 974934493 /nfs/dbraw/zinc/93/44/93/974934493.db2.gz GILJJSVCHWWPBH-UONOGXRCSA-N 2 0 299.459 1.380 10 0 CDAERP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@H](C)[NH2+]C/C=C/Cl ZINC001505621276 974939841 /nfs/dbraw/zinc/93/98/41/974939841.db2.gz FOWFGQJTNQLUFZ-GJEJFBSKSA-N 2 0 287.835 1.706 10 0 CDAERP Cc1c(C(=O)N[C@H](C)[C@H](C)[NH2+]CCF)ccc2c[nH+]cn21 ZINC001505640832 974947495 /nfs/dbraw/zinc/94/74/95/974947495.db2.gz KQYNKSBNVNRWFN-WDEREUQCSA-N 2 0 292.358 1.709 10 0 CDAERP CC(C)CC[N@H+](C)CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001377259508 974948051 /nfs/dbraw/zinc/94/80/51/974948051.db2.gz CCSNPOYFJVHBOC-HNNXBMFYSA-N 2 0 299.459 1.049 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC([C@@H](C)[NH2+]CC2CC2)CC1 ZINC001377616033 975088597 /nfs/dbraw/zinc/08/85/97/975088597.db2.gz ZJYURFHVZKWVTC-CQSZACIVSA-N 2 0 295.471 1.953 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CCC2CC2)CC1(C)C ZINC001506748784 975217146 /nfs/dbraw/zinc/21/71/46/975217146.db2.gz LXUVCIYMKNUUAZ-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C[NH2+]CCF)C1CC1 ZINC001507013846 975295537 /nfs/dbraw/zinc/29/55/37/975295537.db2.gz ZTOMEYRYHWBPOA-LSDHHAIUSA-N 2 0 299.434 1.657 10 0 CDAERP O=C(N[C@@H]1CC[C@@H](C[NH2+]CCF)C1)C12CCC[NH+]1CCC2 ZINC001507400098 975454282 /nfs/dbraw/zinc/45/42/82/975454282.db2.gz CHEKDKFNURIJHM-ZIAGYGMSSA-N 2 0 297.418 1.459 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@H]1C[C@H]([NH2+]CC2CC2)C1 ZINC001397138124 975476346 /nfs/dbraw/zinc/47/63/46/975476346.db2.gz BBMQSTYLFLUXTP-UCNSEENLSA-N 2 0 293.455 1.754 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC1CC1 ZINC001378786347 975492525 /nfs/dbraw/zinc/49/25/25/975492525.db2.gz IVXSDHGVBQRKQK-ZBFHGGJFSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)[NH+]1CC(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001404908040 975536278 /nfs/dbraw/zinc/53/62/78/975536278.db2.gz PZMLGDMEULXGHQ-MRXNPFEDSA-N 2 0 299.434 1.655 10 0 CDAERP CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CCC(C)C)C1)[NH+](C)C ZINC001388684190 975551758 /nfs/dbraw/zinc/55/17/58/975551758.db2.gz AXEXXLKWDSSTPJ-ZNMIVQPWSA-N 2 0 283.460 1.857 10 0 CDAERP CN(CC[N@H+](C)CCCF)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001401388205 975638017 /nfs/dbraw/zinc/63/80/17/975638017.db2.gz VPOQYQWBGZDUCK-UHFFFAOYSA-N 2 0 287.423 1.611 10 0 CDAERP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]Cc1ccccc1 ZINC001379332089 975770718 /nfs/dbraw/zinc/77/07/18/975770718.db2.gz YGXRFKPCQMVFIU-HNNXBMFYSA-N 2 0 289.423 1.719 10 0 CDAERP Cc1cccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001401672115 975781946 /nfs/dbraw/zinc/78/19/46/975781946.db2.gz WQPCWBCWUJZYHQ-GDBMZVCRSA-N 2 0 289.423 1.541 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccccc1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001401674346 975785258 /nfs/dbraw/zinc/78/52/58/975785258.db2.gz NVQCNOQAWGXGDO-ZFWWWQNUSA-N 2 0 275.396 1.375 10 0 CDAERP C[C@H](F)CC[N@@H+]1CCC[C@@H](NC(=O)CCn2ccnc2)C1 ZINC001389383601 975798401 /nfs/dbraw/zinc/79/84/01/975798401.db2.gz ZMCVAIKPEAZQRH-UONOGXRCSA-N 2 0 296.390 1.602 10 0 CDAERP C[C@@H](CC(=O)N[C@H]1CCC[N@H+](CCCF)C1)n1ccnc1 ZINC001389387274 975800953 /nfs/dbraw/zinc/80/09/53/975800953.db2.gz XWPXNBVRLHRXEW-KBPBESRZSA-N 2 0 296.390 1.774 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1CCN(Cc2ocnc2C)C1)[NH+](C)C ZINC001389509203 975879629 /nfs/dbraw/zinc/87/96/29/975879629.db2.gz KUYTUZYZIPZKON-CHWSQXEVSA-N 2 0 294.399 1.014 10 0 CDAERP CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ocnc1C)[NH+](C)C ZINC001405904686 975931126 /nfs/dbraw/zinc/93/11/26/975931126.db2.gz SEAQKVMZNDRCAZ-YPMHNXCESA-N 2 0 296.415 1.260 10 0 CDAERP C[C@@H](C[NH2+]CC1CCCCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001379583926 975936430 /nfs/dbraw/zinc/93/64/30/975936430.db2.gz XBZYODIUKTWLMR-AWEZNQCLSA-N 2 0 293.455 1.757 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001398344486 975954195 /nfs/dbraw/zinc/95/41/95/975954195.db2.gz WGQSBWPLEVSHSK-CABCVRRESA-N 2 0 283.460 1.809 10 0 CDAERP CCC[N@@H+]1CC[C@@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001379631973 975970284 /nfs/dbraw/zinc/97/02/84/975970284.db2.gz PUMATVNOXVIWNQ-PBHICJAKSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@@H](F)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001389757588 975974402 /nfs/dbraw/zinc/97/44/02/975974402.db2.gz IRYOFVRSTVZCKS-MCIONIFRSA-N 2 0 285.407 1.361 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001379679045 976005243 /nfs/dbraw/zinc/00/52/43/976005243.db2.gz ABEBKBSPSIGUBG-CABCVRRESA-N 2 0 283.460 1.857 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+]2CC2CCC2)C1 ZINC001401924534 976012594 /nfs/dbraw/zinc/01/25/94/976012594.db2.gz UHXFEAGDRSYCAR-ZFWWWQNUSA-N 2 0 279.428 1.319 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]C/C=C/Cl)CCN1C(=O)C[NH+]1CCCC1 ZINC001402063465 976103958 /nfs/dbraw/zinc/10/39/58/976103958.db2.gz PENAJWYUICNEDR-HXINVUTJSA-N 2 0 299.846 1.804 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001380272849 976324429 /nfs/dbraw/zinc/32/44/29/976324429.db2.gz QAGQZVQSNKRJBW-ZFWWWQNUSA-N 2 0 299.434 1.799 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001380272846 976325608 /nfs/dbraw/zinc/32/56/08/976325608.db2.gz QAGQZVQSNKRJBW-HIFRSBDPSA-N 2 0 299.434 1.799 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC2)C1 ZINC001402571620 976370827 /nfs/dbraw/zinc/37/08/27/976370827.db2.gz GEMGHBUOLLFBAT-QLFBSQMISA-N 2 0 299.434 1.703 10 0 CDAERP CC[C@H](C(=O)N1CC[C@H]([NH2+]CC2CC2)C1)[NH+](CC)CC ZINC001399188264 976377119 /nfs/dbraw/zinc/37/71/19/976377119.db2.gz YKIVRCSOHKYNJH-LSDHHAIUSA-N 2 0 281.444 1.707 10 0 CDAERP CO[C@H](C)C[N@H+](C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001492879805 976386852 /nfs/dbraw/zinc/38/68/52/976386852.db2.gz XDSIJCLVCRPJOI-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CC[NH+]1CC1CCC1 ZINC001406840291 976435016 /nfs/dbraw/zinc/43/50/16/976435016.db2.gz HEXBKMXYYRRUPJ-JKSUJKDBSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC1CC(C)C1 ZINC001399416089 976474080 /nfs/dbraw/zinc/47/40/80/976474080.db2.gz NKRQVHSFBRPEMF-SLTAFYQDSA-N 2 0 293.455 1.613 10 0 CDAERP CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](F)C[NH+](CC)CC ZINC001380836732 976568425 /nfs/dbraw/zinc/56/84/25/976568425.db2.gz VRVJKOUGBXDRAA-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP Cc1ccccc1C[N@@H+](C)CCNC(=O)CC[NH+](C)C ZINC001399570506 976575821 /nfs/dbraw/zinc/57/58/21/976575821.db2.gz NOUBGQZDSOTZHM-UHFFFAOYSA-N 2 0 277.412 1.495 10 0 CDAERP C[C@@H]1CC[C@H](C[N@H+](C)CCCN(C)C(=O)CC[NH+](C)C)O1 ZINC001380968886 976634113 /nfs/dbraw/zinc/63/41/13/976634113.db2.gz GKNJNMUUGUSMCC-HUUCEWRRSA-N 2 0 299.459 1.286 10 0 CDAERP Cc1ncsc1C[NH2+][C@H](C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001403026467 976668742 /nfs/dbraw/zinc/66/87/42/976668742.db2.gz ABACIYXDWJQCEL-MNOVXSKESA-N 2 0 298.456 1.386 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cc(C2CC2)no1 ZINC001403043769 976677657 /nfs/dbraw/zinc/67/76/57/976677657.db2.gz JGLFNBAJNDZGLW-LLVKDONJSA-N 2 0 294.399 1.098 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001399866262 976707045 /nfs/dbraw/zinc/70/70/45/976707045.db2.gz JIVBZBCQMRFGCE-ZIAGYGMSSA-N 2 0 299.434 1.657 10 0 CDAERP CCC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C[C@H](C)CC ZINC001399939902 976761044 /nfs/dbraw/zinc/76/10/44/976761044.db2.gz IWDITOSFGBLRJT-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)[NH2+]C/C=C/Cl ZINC001381437442 976822684 /nfs/dbraw/zinc/82/26/84/976822684.db2.gz KTTLLBCFOKVLFT-CXILLOQGSA-N 2 0 285.819 1.318 10 0 CDAERP CC(C)CCC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001391379919 976852670 /nfs/dbraw/zinc/85/26/70/976852670.db2.gz GJWRLJYRXYLNNY-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](C[C@H]2CCCCO2)C1 ZINC001391620768 976996297 /nfs/dbraw/zinc/99/62/97/976996297.db2.gz MJUOGXLIMXVSRV-HUUCEWRRSA-N 2 0 297.443 1.040 10 0 CDAERP C[NH+](C)CCCC(=O)NC1C[NH+](CC2CC(C)(C)C2)C1 ZINC001400389479 977017462 /nfs/dbraw/zinc/01/74/62/977017462.db2.gz BSDCMFDGYRSARM-UHFFFAOYSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001382123981 977176682 /nfs/dbraw/zinc/17/66/82/977176682.db2.gz QLAUJUSIIVJEGD-AWEZNQCLSA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]C/C=C\Cl ZINC001400914403 977242383 /nfs/dbraw/zinc/24/23/83/977242383.db2.gz FCDYOQIXQARFEJ-XEGQIGPUSA-N 2 0 273.808 1.175 10 0 CDAERP CC[N@H+](CCNC(=O)CC[NH+](C)C)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001403907828 977253376 /nfs/dbraw/zinc/25/33/76/977253376.db2.gz NTMMRSPFFSWUNG-OWCLPIDISA-N 2 0 295.471 1.812 10 0 CDAERP CC(C)N(CC[N@H+](C)CCO)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001403950471 977278821 /nfs/dbraw/zinc/27/88/21/977278821.db2.gz WTEQCOCZNQBNHX-HUUCEWRRSA-N 2 0 299.459 1.020 10 0 CDAERP CC(C)[NH+]1CCC([C@H](C)NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001403990648 977297490 /nfs/dbraw/zinc/29/74/90/977297490.db2.gz YYXLWRBMPFQBRI-AWEZNQCLSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@H]1CC[C@H](C[N@H+](C)CCN(C)C(=O)C[NH+]2CCCC2)O1 ZINC001392327981 977410867 /nfs/dbraw/zinc/41/08/67/977410867.db2.gz YGAVTHIBRPEMAY-LSDHHAIUSA-N 2 0 297.443 1.040 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001392813425 977605064 /nfs/dbraw/zinc/60/50/64/977605064.db2.gz REGVXBGZTXHQQL-HIFRSBDPSA-N 2 0 281.444 1.613 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1CCC1CCCC1 ZINC001392853541 977625849 /nfs/dbraw/zinc/62/58/49/977625849.db2.gz LCADRNGFJUQFCZ-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@@]1(C[NH2+]CC2CC2)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001393167070 977722332 /nfs/dbraw/zinc/72/23/32/977722332.db2.gz NABIBZDHTZMHKY-INIZCTEOSA-N 2 0 279.428 1.320 10 0 CDAERP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[N@H+](CC[C@@H](C)F)C[C@@H]2C1 ZINC001393420436 977783872 /nfs/dbraw/zinc/78/38/72/977783872.db2.gz XDPVIOGIEPCSJA-KFWWJZLASA-N 2 0 299.434 1.465 10 0 CDAERP CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001394349736 978137538 /nfs/dbraw/zinc/13/75/38/978137538.db2.gz WKSYYJCJJUNXMS-ZQDZILKHSA-N 2 0 279.428 1.032 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC3CC3)[C@@H]2C1 ZINC001394688647 978230174 /nfs/dbraw/zinc/23/01/74/978230174.db2.gz MRVGVCNUNKWBMM-ARFHVFGLSA-N 2 0 293.455 1.565 10 0 CDAERP CC/C=C/CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001674257938 1173928256 /nfs/dbraw/zinc/92/82/56/1173928256.db2.gz GFSWLKWMFXVLKN-ICWYTKJFSA-N 2 0 281.444 1.779 10 0 CDAERP CC(C)C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H]1C ZINC001676679685 1174254711 /nfs/dbraw/zinc/25/47/11/1174254711.db2.gz CSBOEWMZAOCIFD-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]C/C=C\Cl)C2)C1 ZINC001571192755 1170344733 /nfs/dbraw/zinc/34/47/33/1170344733.db2.gz PQGXQCINPDZAFF-ROWREWPHSA-N 2 0 285.819 1.175 10 0 CDAERP CCn1cc(C[NH2+]Cc2ccccc2C[NH2+]C)cn1 ZINC000650719700 398159433 /nfs/dbraw/zinc/15/94/33/398159433.db2.gz ZXOXQURWJOJACN-UHFFFAOYSA-N 2 0 258.369 1.912 10 0 CDAERP COc1ccc2c(c1)[C@H]([NH3+])CC1(CC[NH+](C)CC1)O2 ZINC000082509423 178076117 /nfs/dbraw/zinc/07/61/17/178076117.db2.gz LHYJAGIHFPZENJ-CYBMUJFWSA-N 2 0 262.353 1.942 10 0 CDAERP COC(=O)c1ccccc1CN1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601326455 342553827 /nfs/dbraw/zinc/55/38/27/342553827.db2.gz NAXRKMGGWGWREW-DGCLKSJQSA-N 2 0 262.353 1.500 10 0 CDAERP COC(=O)c1cccc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000601327344 342554226 /nfs/dbraw/zinc/55/42/26/342554226.db2.gz UAZSMJMASAEOSB-FZMZJTMJSA-N 2 0 262.353 1.500 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCOC2CCOCC2)[C@@H](C)C1 ZINC000625257172 342057985 /nfs/dbraw/zinc/05/79/85/342057985.db2.gz XJUBBLFWIQBTSP-GOEBONIOSA-N 2 0 284.444 1.844 10 0 CDAERP C[C@H](CNC(=O)[C@@]1(C)CCCC[NH2+]1)[NH+]1CCCC1 ZINC000133607834 342069060 /nfs/dbraw/zinc/06/90/60/342069060.db2.gz WCISRMQCRYSBKI-TZMCWYRMSA-N 2 0 253.390 1.119 10 0 CDAERP C[N@@H+]1CCCC12CCN(CCOC1CCOCC1)CC2 ZINC000625288669 342078042 /nfs/dbraw/zinc/07/80/42/342078042.db2.gz QVJCASWXIXSOBA-UHFFFAOYSA-N 2 0 282.428 1.742 10 0 CDAERP CC[NH+](CC)CC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000617013482 342604723 /nfs/dbraw/zinc/60/47/23/342604723.db2.gz VFXKJPYPWOABSL-LBPRGKRZSA-N 2 0 255.406 1.317 10 0 CDAERP CC[N@H+](CC(=O)NC[C@@H]1CC[NH+]1C(C)(C)C)C1CC1 ZINC000617011634 342606769 /nfs/dbraw/zinc/60/67/69/342606769.db2.gz JJJRZYXBAMWJRJ-ZDUSSCGKSA-N 2 0 267.417 1.460 10 0 CDAERP [NH3+]CCN1CC[NH2+]C[C@H]1c1cncc2ccccc21 ZINC000616636977 342122029 /nfs/dbraw/zinc/12/20/29/342122029.db2.gz ZJSLKPPVVUQAIH-HNNXBMFYSA-N 2 0 256.353 1.140 10 0 CDAERP CCOC(=O)c1ccc([C@@H]2CCCN2CC[NH3+])cc1 ZINC000616608448 361833513 /nfs/dbraw/zinc/83/35/13/361833513.db2.gz VPMVZWSDRZTJHU-AWEZNQCLSA-N 2 0 262.353 1.959 10 0 CDAERP CCSCC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592181076 342679175 /nfs/dbraw/zinc/67/91/75/342679175.db2.gz BRLZJKLZSPUQKL-UHFFFAOYSA-N 2 0 258.431 1.536 10 0 CDAERP CC(C)[C@@H]1C[C@@H]([NH2+]CC2([NH3+])CCOCC2)CCO1 ZINC000629389244 361893811 /nfs/dbraw/zinc/89/38/11/361893811.db2.gz XBKKYGTVWWUCDZ-STQMWFEESA-N 2 0 256.390 1.288 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](C)C[C@@H]2C(C)C)C1 ZINC000157386672 342194355 /nfs/dbraw/zinc/19/43/55/342194355.db2.gz YVVUUKCYWBKNNH-LSDHHAIUSA-N 2 0 296.459 1.452 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)Cc1ccccc1OC ZINC000629391591 361917149 /nfs/dbraw/zinc/91/71/49/361917149.db2.gz BDIIWWSPAOBUET-ZDUSSCGKSA-N 2 0 266.385 1.452 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](C)N1CCC(C)CC1 ZINC000422781468 536595143 /nfs/dbraw/zinc/59/51/43/536595143.db2.gz KSPJQXQRESRKKJ-HUUCEWRRSA-N 2 0 271.449 1.450 10 0 CDAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCOCc3ccccc3)C[C@@H]12 ZINC000309761318 539079692 /nfs/dbraw/zinc/07/96/92/539079692.db2.gz DQLUJEQPTYESQC-ARFHVFGLSA-N 2 0 260.381 1.872 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000127373790 342352686 /nfs/dbraw/zinc/35/26/86/342352686.db2.gz OEYLLRLELDQJBL-OAHLLOKOSA-N 2 0 277.412 1.746 10 0 CDAERP C(C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)OC1CCOCC1 ZINC000629516920 362133120 /nfs/dbraw/zinc/13/31/20/362133120.db2.gz UNPSTMKFVABTEV-GDBMZVCRSA-N 2 0 282.428 1.646 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+]CCOCC[NH2+]C)C12CCC2 ZINC000629529520 362157679 /nfs/dbraw/zinc/15/76/79/362157679.db2.gz GBFIUNVNSXQLLD-QWHCGFSZSA-N 2 0 256.390 1.160 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)c1cnn(C(C)C)c1C ZINC000629530848 362159813 /nfs/dbraw/zinc/15/98/13/362159813.db2.gz SRMUASSRCBVGAE-GFCCVEGCSA-N 2 0 268.405 1.659 10 0 CDAERP C[C@]1(C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CCCS1 ZINC000628214387 362182136 /nfs/dbraw/zinc/18/21/36/362182136.db2.gz VIZBFTPBXRDJMX-UKRRQHHQSA-N 2 0 299.484 1.449 10 0 CDAERP [NH3+]CCCC[NH2+]C[C@@H](O)COc1cccc2ccccc21 ZINC000168448343 342445213 /nfs/dbraw/zinc/44/52/13/342445213.db2.gz UOAQVVSCHDZLRN-OAHLLOKOSA-N 2 0 288.391 1.908 10 0 CDAERP CC[C@H](SC)C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000597941368 343673672 /nfs/dbraw/zinc/67/36/72/343673672.db2.gz ABXIXPXXQYKJCL-STQMWFEESA-N 2 0 289.489 1.516 10 0 CDAERP C[C@@H](C(=O)N1CCC[C@H]1C[NH+](C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000411914197 362295920 /nfs/dbraw/zinc/29/59/20/362295920.db2.gz SUMGAVNVBHGEJK-XGUBFFRZSA-N 2 0 281.444 1.800 10 0 CDAERP CCOC(=O)[C@@H]1CN(Cc2ccccc2)CC12C[NH2+]C2 ZINC000396679079 344341838 /nfs/dbraw/zinc/34/18/38/344341838.db2.gz DFEQDFBEHDNAEZ-AWEZNQCLSA-N 2 0 274.364 1.271 10 0 CDAERP CS[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C[C@H]1[NH+](C)C ZINC000602131335 344356832 /nfs/dbraw/zinc/35/68/32/344356832.db2.gz MFNBLWFFONZETK-FPQZTECRSA-N 2 0 294.424 1.017 10 0 CDAERP C[C@H]([NH2+]C(C)(C)CNC(=O)C1C[NH2+]C1)c1ccccc1 ZINC000263261158 362405167 /nfs/dbraw/zinc/40/51/67/362405167.db2.gz GKDFGGZABJQDKB-LBPRGKRZSA-N 2 0 275.396 1.451 10 0 CDAERP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000262668816 344696572 /nfs/dbraw/zinc/69/65/72/344696572.db2.gz LZZUUYXTBRTKGF-ZNMIVQPWSA-N 2 0 281.444 1.837 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000262667371 344696640 /nfs/dbraw/zinc/69/66/40/344696640.db2.gz PYRAVQNJSAEDHR-QLFBSQMISA-N 2 0 281.444 1.885 10 0 CDAERP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000606370131 344997957 /nfs/dbraw/zinc/99/79/57/344997957.db2.gz FYPBANJDNLQKKS-UONOGXRCSA-N 2 0 265.401 1.166 10 0 CDAERP CCCC[N@H+](C)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000052869583 345306777 /nfs/dbraw/zinc/30/67/77/345306777.db2.gz FNCRHRDTTMOGLA-HNNXBMFYSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CCC[NH+](C)C ZINC000538317056 282402336 /nfs/dbraw/zinc/40/23/36/282402336.db2.gz XNYLSQZQEGSKII-CHWSQXEVSA-N 2 0 255.406 1.269 10 0 CDAERP CCN(C(=O)C[NH+]1[C@H](C)CC[C@H]1C)[C@@H]1CC[N@H+](C)C1 ZINC000617554693 345850464 /nfs/dbraw/zinc/85/04/64/345850464.db2.gz HWOJTCVFVJROIM-MGPQQGTHSA-N 2 0 267.417 1.412 10 0 CDAERP CCN(C(=O)C1C[NH+](C2CCCCC2)C1)[C@H]1CC[N@H+](C)C1 ZINC000617561865 345856499 /nfs/dbraw/zinc/85/64/99/345856499.db2.gz VMKZUSYURHIGBH-INIZCTEOSA-N 2 0 293.455 1.804 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000563092217 293270559 /nfs/dbraw/zinc/27/05/59/293270559.db2.gz IQJMVVUVAHMTBJ-MRFVTOPCSA-N 2 0 284.448 1.532 10 0 CDAERP Cc1noc(CC[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)n1 ZINC000623405139 346182063 /nfs/dbraw/zinc/18/20/63/346182063.db2.gz ZWDKMCRRQWFVHH-LLVKDONJSA-N 2 0 252.362 1.383 10 0 CDAERP COc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085361231 179033028 /nfs/dbraw/zinc/03/30/28/179033028.db2.gz YXEALVYHOPXHJJ-STQMWFEESA-N 2 0 291.395 1.823 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000085368807 179038697 /nfs/dbraw/zinc/03/86/97/179038697.db2.gz PMMGVMWLOICUOY-ZIAGYGMSSA-N 2 0 265.401 1.058 10 0 CDAERP CCNC(=O)CC[N@@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403762 179053220 /nfs/dbraw/zinc/05/32/20/179053220.db2.gz NTZZHWMNFFJIOZ-OAHLLOKOSA-N 2 0 281.444 1.757 10 0 CDAERP CC(C)OC[C@@H](O)C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000584586415 346374637 /nfs/dbraw/zinc/37/46/37/346374637.db2.gz XHHUHOHJGZGFEO-AWEZNQCLSA-N 2 0 272.433 1.484 10 0 CDAERP CCc1nc2c(n1[C@@H]1CCC[N@@H+](CC)C1)CC[NH2+]C2 ZINC000085572782 179098768 /nfs/dbraw/zinc/09/87/68/179098768.db2.gz VMPPFXPEFMTHCO-GFCCVEGCSA-N 2 0 262.401 1.748 10 0 CDAERP C[C@@H]1C[N@@H+](CC[C@@H]2CSCC[NH2+]2)C[C@H](C)S1 ZINC000085616469 179103915 /nfs/dbraw/zinc/10/39/15/179103915.db2.gz WBRSNYMJJYOMLP-GRYCIOLGSA-N 2 0 260.472 1.907 10 0 CDAERP CCCCOC[C@H](O)C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000227889417 346533588 /nfs/dbraw/zinc/53/35/88/346533588.db2.gz LHFOAULZMMVJBL-UKRRQHHQSA-N 2 0 270.417 1.238 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCc3c[nH]nc3C2)CC1(C)C ZINC000623446626 346761968 /nfs/dbraw/zinc/76/19/68/346761968.db2.gz LFTVOJALZBSVMC-CHWSQXEVSA-N 2 0 262.401 1.729 10 0 CDAERP CCC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623449771 346767017 /nfs/dbraw/zinc/76/70/17/346767017.db2.gz KUWZSIKLJBHPIY-STQMWFEESA-N 2 0 267.417 1.460 10 0 CDAERP CC[N@@H+]1CC[C@H](CN2C[C@H](C(C)C)[NH2+]C[C@@H]2C)C1 ZINC000086171835 179243193 /nfs/dbraw/zinc/24/31/93/179243193.db2.gz WWLAFSGJTSBBSA-SOUVJXGZSA-N 2 0 253.434 1.647 10 0 CDAERP CC[C@H](C)[C@@H]1CN(C[C@@H]2CCCC[N@@H+]2C)CC[NH2+]1 ZINC000086145810 179238973 /nfs/dbraw/zinc/23/89/73/179238973.db2.gz VVIUTLUWCLVLDA-KKUMJFAQSA-N 2 0 253.434 1.791 10 0 CDAERP C[C@@H]1C[NH2+][C@](C)(C2CC2)CN1C[C@@H]1CCC[N@H+](C)C1 ZINC000086259215 179258173 /nfs/dbraw/zinc/25/81/73/179258173.db2.gz INUFBLDPMYLASF-FMKPAKJESA-N 2 0 265.445 1.791 10 0 CDAERP COCC[C@@H](COC)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623528457 347617038 /nfs/dbraw/zinc/61/70/38/347617038.db2.gz NTPYVXZAILVSII-OLZOCXBDSA-N 2 0 258.406 1.500 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC(F)(F)[C@H]2O)CC1(C)C ZINC000623550933 347628539 /nfs/dbraw/zinc/62/85/39/347628539.db2.gz DORXSJOQWSZRCB-TUAOUCFPSA-N 2 0 276.371 1.998 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CCC2(O)CCOCC2)CC1(C)C ZINC000623521090 347614070 /nfs/dbraw/zinc/61/40/70/347614070.db2.gz IGMRCDCOLWSPKC-CYBMUJFWSA-N 2 0 270.417 1.380 10 0 CDAERP C(NC1=[NH+]CCCN1)[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000068041920 349045536 /nfs/dbraw/zinc/04/55/36/349045536.db2.gz ZLGRRKBVPFHUMR-OAHLLOKOSA-N 2 0 278.444 1.970 10 0 CDAERP C[C@@H](C(=O)N(C)CC1C[NH+](C)C1)[NH+]1CCCCCC1 ZINC000618194224 349397984 /nfs/dbraw/zinc/39/79/84/349397984.db2.gz VFEHUYIFQZOOHB-ZDUSSCGKSA-N 2 0 267.417 1.271 10 0 CDAERP Cc1cn2ccc(NC(=O)C[N@H+]3CC[C@@H](C)C3)cc2n1 ZINC000620650658 350302783 /nfs/dbraw/zinc/30/27/83/350302783.db2.gz BRYSQAPQIQXRDD-LLVKDONJSA-N 2 0 272.352 1.923 10 0 CDAERP C[C@H]([NH2+]CCOCCC[NH3+])c1ccc(Cl)cn1 ZINC000629538867 362955498 /nfs/dbraw/zinc/95/54/98/362955498.db2.gz OEPCYXVOLAOUPJ-JTQLQIEISA-N 2 0 257.765 1.751 10 0 CDAERP Cn1c2cc(C[NH2+][C@H]3CCC[C@@H]([NH3+])C3)ccc2oc1=O ZINC000629538627 362955311 /nfs/dbraw/zinc/95/53/11/362955311.db2.gz NVZGNGUCNKMQSB-NEPJUHHUSA-N 2 0 275.352 1.491 10 0 CDAERP COc1cncc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)n1 ZINC000629543463 362962065 /nfs/dbraw/zinc/96/20/65/362962065.db2.gz CAABJSLCRZDVAW-AWEZNQCLSA-N 2 0 290.411 1.697 10 0 CDAERP Cc1noc([C@@H]2OCC[C@@H]2[NH2+]C2CCC(C[NH3+])CC2)n1 ZINC000629544879 362969772 /nfs/dbraw/zinc/96/97/72/362969772.db2.gz GDFWMQDTERYMOE-IFWUJCSASA-N 2 0 280.372 1.315 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)N[C@H]2CCCC[NH2+]C2)C[N@@H+]1C1CC1 ZINC000333418709 362989837 /nfs/dbraw/zinc/98/98/37/362989837.db2.gz SFCYXQBHVCMMNL-AGIUHOORSA-N 2 0 280.416 1.053 10 0 CDAERP O[C@@H](C[NH2+]CCc1cc(F)ccc1F)C[NH+]1CCCC1 ZINC000629562580 363009712 /nfs/dbraw/zinc/00/97/12/363009712.db2.gz BCISBHLHAIZHKI-AWEZNQCLSA-N 2 0 284.350 1.554 10 0 CDAERP C[NH2+]CCOCCN(C)Cc1cc(F)ccc1F ZINC000629570041 363022793 /nfs/dbraw/zinc/02/27/93/363022793.db2.gz SYGWMHBNCBXONN-UHFFFAOYSA-N 2 0 258.312 1.633 10 0 CDAERP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)[C@H]1CCCCO1 ZINC000623859360 351301760 /nfs/dbraw/zinc/30/17/60/351301760.db2.gz KSVVFRYVWVNYPE-HUUCEWRRSA-N 2 0 283.460 1.560 10 0 CDAERP CO[C@H](CC[NH2+]C[C@H](O)C[NH+]1CCCC1)C(F)(F)F ZINC000629576786 363035628 /nfs/dbraw/zinc/03/56/28/363035628.db2.gz PGQUMMNJBJBQHU-WDEREUQCSA-N 2 0 284.322 1.000 10 0 CDAERP O=C(N[C@@H]1CCCC[NH2+]C1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000333682883 363096838 /nfs/dbraw/zinc/09/68/38/363096838.db2.gz OZZZHLZYQCUFMM-HUUCEWRRSA-N 2 0 294.443 1.160 10 0 CDAERP C[N@H+](C[C@H](O)CNC[C@H]1CC[NH+]1C1CCCCC1)C1CC1 ZINC000629601200 363156774 /nfs/dbraw/zinc/15/67/74/363156774.db2.gz AVNSNODIFPWSEV-IAGOWNOFSA-N 2 0 295.471 1.438 10 0 CDAERP C[C@]1(C[NH2+]C[C@H](O)C[NH+]2CCCC2)C[C@H]2C[C@H]2C1 ZINC000629602223 363159543 /nfs/dbraw/zinc/15/95/43/363159543.db2.gz HUUASXPNBDITEM-LJISPDSOSA-N 2 0 252.402 1.469 10 0 CDAERP CCOc1ccc(C[N@H+](C)CCOCC[NH2+]C)cc1 ZINC000629653085 363252662 /nfs/dbraw/zinc/25/26/62/363252662.db2.gz MUYQINMHHCHGDK-UHFFFAOYSA-N 2 0 266.385 1.753 10 0 CDAERP C1=C(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)COCC1 ZINC000629651438 363256455 /nfs/dbraw/zinc/25/64/55/363256455.db2.gz GJDZQFCACZRHTD-GJZGRUSLSA-N 2 0 250.386 1.797 10 0 CDAERP C[C@@H](C[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)Cc1ccccc1 ZINC000629654498 363257669 /nfs/dbraw/zinc/25/76/69/363257669.db2.gz YFYULVNBSOIMGE-GFCCVEGCSA-N 2 0 286.379 1.609 10 0 CDAERP C[NH+]1CCC(CC[NH2+]C[C@@H](O)C[C@](C)(O)C2CC2)CC1 ZINC000634703098 357374158 /nfs/dbraw/zinc/37/41/58/357374158.db2.gz PVFUOOHLBVSXRO-HOTGVXAUSA-N 2 0 284.444 1.220 10 0 CDAERP CC(C)C(=O)NCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000367614253 357327932 /nfs/dbraw/zinc/32/79/32/357327932.db2.gz GBLDWVJHGGZEEA-RRFJBIMHSA-N 2 0 281.444 1.611 10 0 CDAERP CC[NH+](CC)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C[NH3+] ZINC000058041249 357375721 /nfs/dbraw/zinc/37/57/21/357375721.db2.gz XYPBNUADZAVHOL-RYUDHWBXSA-N 2 0 271.405 1.522 10 0 CDAERP CCCC[NH+]1CCC([NH2+]C[C@H](O)C[C@](C)(O)C2CC2)CC1 ZINC000634703868 357376953 /nfs/dbraw/zinc/37/69/53/357376953.db2.gz CEKGYMPNQKWHJC-SJORKVTESA-N 2 0 298.471 1.753 10 0 CDAERP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)[C@H]1C[C@]12CC[NH2+]C2 ZINC000261821489 295945511 /nfs/dbraw/zinc/94/55/11/295945511.db2.gz XZMCHPGKSZCKFN-WBMJQRKESA-N 2 0 289.354 1.410 10 0 CDAERP C[C@@H](CNC(=O)c1c[nH+]ccc1N(C)C)[N@H+](C)C1CC1 ZINC000183557341 357462900 /nfs/dbraw/zinc/46/29/00/357462900.db2.gz CACWCWHFRCUYHR-NSHDSACASA-N 2 0 276.384 1.360 10 0 CDAERP C[C@@H](C[NH2+][C@@H]1CCCC12CC2)CN1CC[NH+](C)CC1 ZINC000580330782 357525233 /nfs/dbraw/zinc/52/52/33/357525233.db2.gz UUNNUELOHSBHMP-LSDHHAIUSA-N 2 0 265.445 1.792 10 0 CDAERP CSCCC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000364207649 358084019 /nfs/dbraw/zinc/08/40/19/358084019.db2.gz OTTIRZMRGAOHKQ-LBPRGKRZSA-N 2 0 285.457 1.024 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1ccccc1CC[NH3+])C2 ZINC000634742613 358190917 /nfs/dbraw/zinc/19/09/17/358190917.db2.gz RDRLUCJXGXDASK-CALCHBBNSA-N 2 0 287.407 1.259 10 0 CDAERP C=Cn1cc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cn1 ZINC000193903492 358330653 /nfs/dbraw/zinc/33/06/53/358330653.db2.gz DUSHIUQKWNQOFK-CQSZACIVSA-N 2 0 292.427 1.508 10 0 CDAERP CCC[N@H+](C[C@H]1CCCCO1)C[C@@](C)(O)C[NH2+]C ZINC000569583079 358644275 /nfs/dbraw/zinc/64/42/75/358644275.db2.gz IYTUHBARFNKJJV-KGLIPLIRSA-N 2 0 258.406 1.238 10 0 CDAERP C[NH+]1CCC(CNC(=O)c2ccccc2CC[NH3+])CC1 ZINC000070552823 358969701 /nfs/dbraw/zinc/96/97/01/358969701.db2.gz SEFMGWPUYVGEJY-UHFFFAOYSA-N 2 0 275.396 1.259 10 0 CDAERP CCC[C@H](C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1)[NH+](C)C ZINC000162287840 359094751 /nfs/dbraw/zinc/09/47/51/359094751.db2.gz FOPQNAKCSYNCJJ-RRFJBIMHSA-N 2 0 283.460 1.953 10 0 CDAERP [NH3+]Cc1ccc(-c2noc([C@H]3CCC[NH2+]C3)n2)cc1 ZINC000261948480 359099961 /nfs/dbraw/zinc/09/99/61/359099961.db2.gz FSBQLDXCNLHJNZ-LBPRGKRZSA-N 2 0 258.325 1.662 10 0 CDAERP C[C@]1(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)CC[NH2+]C1 ZINC000262000943 359119424 /nfs/dbraw/zinc/11/94/24/359119424.db2.gz LGTXBGZOBABYIB-KRWDZBQOSA-N 2 0 293.455 1.711 10 0 CDAERP C[C@H]1CN(Cc2cc(-n3ccnc3)cs2)C[C@@H]1[NH3+] ZINC000262026895 359124293 /nfs/dbraw/zinc/12/42/93/359124293.db2.gz NQFLMQSBTQUUFE-GWCFXTLKSA-N 2 0 262.382 1.713 10 0 CDAERP C[N@@H+]1C[C@]23C[NH+](CC4(C)COC4)C[C@@]2(C1)CCCC3 ZINC001660700384 1172258714 /nfs/dbraw/zinc/25/87/14/1172258714.db2.gz HPHMWZOHLXBQJF-IYBDPMFKSA-N 2 0 264.413 1.831 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1C[C@@H]1Cc1ccccc1 ZINC000422920135 359676536 /nfs/dbraw/zinc/67/65/36/359676536.db2.gz LONSGSGWSNHTDW-JYJNAYRXSA-N 2 0 262.397 1.961 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000422987545 359701609 /nfs/dbraw/zinc/70/16/09/359701609.db2.gz GLOOLLUSOIHANR-AWEZNQCLSA-N 2 0 280.416 1.842 10 0 CDAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423459155 359798863 /nfs/dbraw/zinc/79/88/63/359798863.db2.gz RFKBMQSDVCDOJY-PFPDTZPXSA-N 2 0 285.435 1.704 10 0 CDAERP O=C(N1CC[C@H]2CC[C@@H](C1)[NH2+]2)C12CCC[NH+](CCC1)C2 ZINC000637859087 366543086 /nfs/dbraw/zinc/54/30/86/366543086.db2.gz RFXBBGTUQLAPEY-KGLIPLIRSA-N 2 0 277.412 1.215 10 0 CDAERP COC1(C[NH2+]Cc2ccc3c[nH+]cn3c2)CCOCC1 ZINC000297587435 200234902 /nfs/dbraw/zinc/23/49/02/200234902.db2.gz SMYZWEWIOVLMPS-UHFFFAOYSA-N 2 0 275.352 1.620 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCCc2nc(C)no2)[C@@H](C)C1 ZINC000336821703 359880072 /nfs/dbraw/zinc/88/00/72/359880072.db2.gz IXYUODMIDXMUAO-JSGCOSHPSA-N 2 0 280.416 1.973 10 0 CDAERP CC[NH+](CC)CC1CC[NH+]([C@@H]2CCN(C3CC3)C2=O)CC1 ZINC000336842613 359909719 /nfs/dbraw/zinc/90/97/19/359909719.db2.gz SQUWKRODSAOXNE-MRXNPFEDSA-N 2 0 293.455 1.804 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CC2(C)COC2)CC1 ZINC000336825580 359893931 /nfs/dbraw/zinc/89/39/31/359893931.db2.gz ZFCVMUUWLJYAQV-HNNXBMFYSA-N 2 0 281.444 1.125 10 0 CDAERP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)CC3(O)CCC3)CC[C@@H]21 ZINC000528403261 359948836 /nfs/dbraw/zinc/94/88/36/359948836.db2.gz CKVBDPHBASQROF-KFWWJZLASA-N 2 0 282.428 1.069 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)c2cccnc2)[C@@H](C)C1 ZINC000348239604 359967849 /nfs/dbraw/zinc/96/78/49/359967849.db2.gz BMFUZQZGFPBRPQ-IMJJTQAJSA-N 2 0 277.412 1.477 10 0 CDAERP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cn4cccnc4n3)C2)CC1 ZINC000298168197 200350780 /nfs/dbraw/zinc/35/07/80/200350780.db2.gz TYJUTUYMSARLLC-OAHLLOKOSA-N 2 0 299.422 1.893 10 0 CDAERP C[C@@H]1CN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CC[NH2+]1 ZINC000335395377 360149937 /nfs/dbraw/zinc/14/99/37/360149937.db2.gz KSXFRGZUFGAZCR-OLZOCXBDSA-N 2 0 253.390 1.071 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000085390534 360112922 /nfs/dbraw/zinc/11/29/22/360112922.db2.gz MYYHUTKHZGYSQY-RRFJBIMHSA-N 2 0 298.475 1.698 10 0 CDAERP [NH3+]C[C@@H]1c2ccccc2CCN1C[C@@H]1CCC[NH2+]C1 ZINC000335448089 360194961 /nfs/dbraw/zinc/19/49/61/360194961.db2.gz METJFUMHQIUPAM-CZUORRHYSA-N 2 0 259.397 1.544 10 0 CDAERP CCNC(=O)N1CC[C@@H]([NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)C1 ZINC000090411715 360212776 /nfs/dbraw/zinc/21/27/76/360212776.db2.gz JYRLAZGRXVQLQO-FQUUOJAGSA-N 2 0 282.432 1.109 10 0 CDAERP COCC[N@H+](C)CCCNCc1oc(C)nc1C ZINC000628202440 360241447 /nfs/dbraw/zinc/24/14/47/360241447.db2.gz ULOFFUAWIDYHFW-UHFFFAOYSA-N 2 0 255.362 1.349 10 0 CDAERP [NH3+]C1(CNC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CCCCCC1 ZINC000515004939 360419286 /nfs/dbraw/zinc/41/92/86/360419286.db2.gz PKKXYZZNAPGYGV-OAHLLOKOSA-N 2 0 294.443 1.433 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000515653155 360529233 /nfs/dbraw/zinc/52/92/33/360529233.db2.gz WJANFWKYBRWMKO-KWBADKCTSA-N 2 0 267.348 1.110 10 0 CDAERP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2CC[C@H]2C2CCC2)C1 ZINC000337986111 360603420 /nfs/dbraw/zinc/60/34/20/360603420.db2.gz HOKWMNODFIINQN-OWCLPIDISA-N 2 0 293.455 1.742 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000626935144 360654089 /nfs/dbraw/zinc/65/40/89/360654089.db2.gz YBZONIJESDDOLR-MGPQQGTHSA-N 2 0 282.432 1.301 10 0 CDAERP c1ccc(C[NH+]2CCN(CC34CC(C3)C[NH2+]4)CC2)cc1 ZINC000634995772 360623353 /nfs/dbraw/zinc/62/33/53/360623353.db2.gz OKYPCUFHRHSGLS-UHFFFAOYSA-N 2 0 271.408 1.556 10 0 CDAERP CC(C)[NH+](CCNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)C(C)C ZINC000626919854 360635420 /nfs/dbraw/zinc/63/54/20/360635420.db2.gz NMQFWCYLZYHVBC-KGLIPLIRSA-N 2 0 284.448 1.545 10 0 CDAERP C[C@H](CNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)C[NH+]1CCCCC1 ZINC000626943370 360670963 /nfs/dbraw/zinc/67/09/63/360670963.db2.gz CMUPALNMJWUIBF-RBSFLKMASA-N 2 0 296.459 1.548 10 0 CDAERP CCOCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001660837811 1172285771 /nfs/dbraw/zinc/28/57/71/1172285771.db2.gz FHUSGQGPKVHNFQ-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCCC[NH+](C)C ZINC000673840515 482852019 /nfs/dbraw/zinc/85/20/19/482852019.db2.gz JFSHPBUOJSDTHO-CQSZACIVSA-N 2 0 269.433 1.661 10 0 CDAERP CC[C@@H](O)C[NH+]1CCN(Cc2cccc3nccn32)CC1 ZINC000180163442 189240808 /nfs/dbraw/zinc/24/08/08/189240808.db2.gz OWYHBZRGFKRWAJ-OAHLLOKOSA-N 2 0 288.395 1.223 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+]Cc2conc2C)CC1 ZINC000339182946 361337969 /nfs/dbraw/zinc/33/79/69/361337969.db2.gz NBJKCARCYSWZSZ-UHFFFAOYSA-N 2 0 266.389 1.100 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1COc2ccccc2O1)[C@@H]1CC[NH2+]C1 ZINC000400732727 239483620 /nfs/dbraw/zinc/48/36/20/239483620.db2.gz RCDIKRSEGKBPPK-YNEHKIRRSA-N 2 0 262.353 1.414 10 0 CDAERP CC(C)([NH3+])CCC(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000632862005 364541481 /nfs/dbraw/zinc/54/14/81/364541481.db2.gz QHHFWPJIXBXBQG-VXGBXAGGSA-N 2 0 253.390 1.104 10 0 CDAERP COC(=O)c1cc(C[NH2+][C@@H]2CCc3nc[nH]c3C2)c[nH]1 ZINC000353242676 365084531 /nfs/dbraw/zinc/08/45/31/365084531.db2.gz OEYRGUCPQODEAS-SNVBAGLBSA-N 2 0 274.324 1.172 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)CCc1ncc[nH]1 ZINC000353430808 365200583 /nfs/dbraw/zinc/20/05/83/365200583.db2.gz JRNAUQHWIXVDRY-STQMWFEESA-N 2 0 278.400 1.721 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627042389 367293056 /nfs/dbraw/zinc/29/30/56/367293056.db2.gz ZTCRRMHRHCSQSX-MELADBBJSA-N 2 0 284.448 1.547 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000627078635 367375745 /nfs/dbraw/zinc/37/57/45/367375745.db2.gz RYGCRSQJHKLFHY-MELADBBJSA-N 2 0 276.384 1.126 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)NC[C@@H]([NH3+])c2ccccc2)C[NH2+]1 ZINC000627078747 367376745 /nfs/dbraw/zinc/37/67/45/367376745.db2.gz ULECKWNKEYEPRM-KWCYVHTRSA-N 2 0 276.384 1.126 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)NC[C@@H]([NH3+])c2ccccc2)C[NH2+]1 ZINC000627078749 367376865 /nfs/dbraw/zinc/37/68/65/367376865.db2.gz ULECKWNKEYEPRM-MRVWCRGKSA-N 2 0 276.384 1.126 10 0 CDAERP CC1=CC[N@H+](CCNC(=O)N[C@H]2CC[NH+](C3CC3)C2)CC1 ZINC000358185745 367498900 /nfs/dbraw/zinc/49/89/00/367498900.db2.gz HZNVVCIHHRHTGU-AWEZNQCLSA-N 2 0 292.427 1.174 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)NC2CCC([NH+](C)C)CC2)C[NH2+]1 ZINC000627106687 367452914 /nfs/dbraw/zinc/45/29/14/367452914.db2.gz SYRZNHXDISNQQI-ZIHBUVQPSA-N 2 0 282.432 1.299 10 0 CDAERP C[C@H]([NH2+][C@H]1CN(C)C[C@H]1C)c1ccc(-n2ccnn2)cc1 ZINC000358218730 367517104 /nfs/dbraw/zinc/51/71/04/367517104.db2.gz IECIBCABNCUTJH-WWGRRREGSA-N 2 0 285.395 1.868 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000416800744 242144945 /nfs/dbraw/zinc/14/49/45/242144945.db2.gz GBTZPEBTEQNLDY-QEJZJMRPSA-N 2 0 290.411 1.420 10 0 CDAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCCC[NH+]1CCCCC1 ZINC000416872570 242200142 /nfs/dbraw/zinc/20/01/42/242200142.db2.gz MAYKXRZZFZZHHI-UONOGXRCSA-N 2 0 282.432 1.160 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000417232653 242370168 /nfs/dbraw/zinc/37/01/68/242370168.db2.gz QBDWUVZYQJPITF-OLZOCXBDSA-N 2 0 278.400 1.153 10 0 CDAERP [NH3+]CCCNC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000417115901 242324214 /nfs/dbraw/zinc/32/42/14/242324214.db2.gz PGFRWBHGGRVNQK-HNNXBMFYSA-N 2 0 290.411 1.299 10 0 CDAERP CCC(C)(C)[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000358425927 367674383 /nfs/dbraw/zinc/67/43/83/367674383.db2.gz KXXMKSQPUDFMLV-UHFFFAOYSA-N 2 0 281.444 1.850 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C[NH2+]1 ZINC000627199971 367691175 /nfs/dbraw/zinc/69/11/75/367691175.db2.gz HHASPSGHJVMVNN-QLFBSQMISA-N 2 0 294.443 1.254 10 0 CDAERP COCCN(C)c1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cn1 ZINC000414943651 370873896 /nfs/dbraw/zinc/87/38/96/370873896.db2.gz OEIHSTOVPZZJKI-DZGCQCFKSA-N 2 0 292.427 1.252 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000627240649 367805925 /nfs/dbraw/zinc/80/59/25/367805925.db2.gz UOFKRDQKLRJAGL-MELADBBJSA-N 2 0 282.432 1.110 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COC(C)C)[C@H](C)C1 ZINC000305144818 370891899 /nfs/dbraw/zinc/89/18/99/370891899.db2.gz NEFXZOOVFDWVEG-KFWWJZLASA-N 2 0 272.433 1.434 10 0 CDAERP O=C([C@H]1CCC[NH2+]C1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000169816103 296110911 /nfs/dbraw/zinc/11/09/11/296110911.db2.gz NYHAYUDJWDKPND-LSDHHAIUSA-N 2 0 273.380 1.159 10 0 CDAERP CC(C)[NH+](C/C=C/C[N@@H+](C[C@@H](C)O)C(C)C)C[C@H](C)O ZINC000340148686 367993260 /nfs/dbraw/zinc/99/32/60/367993260.db2.gz AKBSJNGOPGODBR-COAGQGPPSA-N 2 0 286.460 1.725 10 0 CDAERP O=C(NCc1ccc2c(c1)C[NH2+]C2)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000249069525 284006034 /nfs/dbraw/zinc/00/60/34/284006034.db2.gz KLRPXOIGCACGGG-XYPHTWIQSA-N 2 0 299.418 1.827 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2CCC[NH2+]C2)cc1 ZINC000418384501 243011994 /nfs/dbraw/zinc/01/19/94/243011994.db2.gz OVDGTTIUOPBXDP-BXUZGUMPSA-N 2 0 276.384 1.258 10 0 CDAERP CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418447186 243088746 /nfs/dbraw/zinc/08/87/46/243088746.db2.gz INMQFESYTRSPKG-KBPBESRZSA-N 2 0 278.400 1.359 10 0 CDAERP [NH3+]C[C@@H]1CC[C@H](NC(=O)NC[C@H]([NH3+])c2ccccc2)C1 ZINC000418457401 243102375 /nfs/dbraw/zinc/10/23/75/243102375.db2.gz VNONSBAYBQUAGM-XBFCOCLRSA-N 2 0 276.384 1.113 10 0 CDAERP C[C@@H](C[NH3+])NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418610712 243275108 /nfs/dbraw/zinc/27/51/08/243275108.db2.gz GIVKJIKWRAPWBH-ZFWWWQNUSA-N 2 0 290.411 1.250 10 0 CDAERP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000417084244 284067020 /nfs/dbraw/zinc/06/70/20/284067020.db2.gz VTCRXTVAOPAIAX-KBXIAJHMSA-N 2 0 292.427 1.149 10 0 CDAERP C[NH+](C)CCCC[NH2+]C1CCN(CC(F)F)CC1 ZINC000361323271 368748651 /nfs/dbraw/zinc/74/86/51/368748651.db2.gz FKSXCDMULHVWBG-UHFFFAOYSA-N 2 0 263.376 1.647 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](C3CC3)CC2)CC[N@@H+]1C ZINC000630626722 369463473 /nfs/dbraw/zinc/46/34/73/369463473.db2.gz KYZIDNZUYIQPLE-LSDHHAIUSA-N 2 0 279.428 1.460 10 0 CDAERP CCOC[C@H](O)C[NH2+]Cc1ccc(CC[NH+](C)C)cc1 ZINC000565416659 370442061 /nfs/dbraw/zinc/44/20/61/370442061.db2.gz ASVCUUFNKRKPSW-MRXNPFEDSA-N 2 0 280.412 1.278 10 0 CDAERP CC[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC000572393638 294614928 /nfs/dbraw/zinc/61/49/28/294614928.db2.gz RJLLOXGWGMXYSN-OWCLPIDISA-N 2 0 283.460 1.153 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCN1CCC[C@H](C)C1 ZINC000422860949 245343127 /nfs/dbraw/zinc/34/31/27/245343127.db2.gz NHVYVOBXOBPVBH-KBPBESRZSA-N 2 0 257.422 1.062 10 0 CDAERP COc1ccccc1N1CC[C@@H]([NH2+][C@H](C)C2C[NH2+]C2)C1 ZINC000422879159 245363655 /nfs/dbraw/zinc/36/36/55/245363655.db2.gz UTSVSOYYMMMPKO-TZMCWYRMSA-N 2 0 275.396 1.471 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)C[NH+](C)[C@@H]2CCSC2)CC[N@@H+]1C ZINC000164256454 371305754 /nfs/dbraw/zinc/30/57/54/371305754.db2.gz XNMJVKREMTXFIP-HZSPNIEDSA-N 2 0 299.484 1.365 10 0 CDAERP CN(C)c1cc[nH+]cc1C(=O)N(C)CCC[NH+](C)C ZINC000572805585 371306891 /nfs/dbraw/zinc/30/68/91/371306891.db2.gz YRUYFACOZURUDJ-UHFFFAOYSA-N 2 0 264.373 1.171 10 0 CDAERP CC[C@H](Cn1cncn1)[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000340515368 371484952 /nfs/dbraw/zinc/48/49/52/371484952.db2.gz BEXDBMDRLORIIF-HUUCEWRRSA-N 2 0 279.432 1.911 10 0 CDAERP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)CC[C@H]1CC[NH2+]C1 ZINC000575060972 371722443 /nfs/dbraw/zinc/72/24/43/371722443.db2.gz SWHCLAOVQVEMCZ-XJKSGUPXSA-N 2 0 287.407 1.461 10 0 CDAERP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000335536788 371813347 /nfs/dbraw/zinc/81/33/47/371813347.db2.gz SAFLKYUJPFAKGA-FZMZJTMJSA-N 2 0 265.401 1.118 10 0 CDAERP CC[N@H+](CCNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)C1CC1 ZINC000174577318 372607495 /nfs/dbraw/zinc/60/74/95/372607495.db2.gz MHUBPYUDWUQCLU-OAHLLOKOSA-N 2 0 292.427 1.126 10 0 CDAERP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000580842987 372712893 /nfs/dbraw/zinc/71/28/93/372712893.db2.gz WGIGJUOTIOJYAQ-UONOGXRCSA-N 2 0 281.444 1.517 10 0 CDAERP Cc1cn2cc(NC(=O)N[C@@H]3CCCC[NH2+]C3)ccc2n1 ZINC000333121245 205046494 /nfs/dbraw/zinc/04/64/94/205046494.db2.gz IFEZDIWVACERPY-GFCCVEGCSA-N 2 0 287.367 1.906 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C1(C(=O)Nc2ccccc2)CC1 ZINC000423062571 245532534 /nfs/dbraw/zinc/53/25/34/245532534.db2.gz NDLLEMAONDSINW-AWEZNQCLSA-N 2 0 291.395 1.501 10 0 CDAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000333392283 205280741 /nfs/dbraw/zinc/28/07/41/205280741.db2.gz OXYHWRJLNMMIOJ-KBXIAJHMSA-N 2 0 296.459 1.402 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)CC[N@@H+]1C ZINC000341185631 373450385 /nfs/dbraw/zinc/45/03/85/373450385.db2.gz BOLIZSVLZNAYLZ-KFWWJZLASA-N 2 0 292.427 1.125 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000341470559 373739219 /nfs/dbraw/zinc/73/92/19/373739219.db2.gz YJESVLDDRAMKRY-RBSFLKMASA-N 2 0 296.459 1.643 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CC(C)(C)[C@@H]1CCCCO1 ZINC000643466651 373947363 /nfs/dbraw/zinc/94/73/63/373947363.db2.gz KNKBDMIVHZHLAH-KGLIPLIRSA-N 2 0 272.433 1.925 10 0 CDAERP CN(C)c1cc[nH+]cc1C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000423743030 246019304 /nfs/dbraw/zinc/01/93/04/246019304.db2.gz LNYRHQWIFKLDQX-SNVBAGLBSA-N 2 0 290.289 1.157 10 0 CDAERP [NH3+]CC1(CCNC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000652232022 541924233 /nfs/dbraw/zinc/92/42/33/541924233.db2.gz ODVZRUTVMSJNIY-ZIAGYGMSSA-N 2 0 294.443 1.147 10 0 CDAERP C[C@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C[NH3+] ZINC000424000784 246280833 /nfs/dbraw/zinc/28/08/33/246280833.db2.gz OPRSELWAMGEEDV-RYUDHWBXSA-N 2 0 276.384 1.205 10 0 CDAERP CC(C)[NH+]1CCC([NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)CC1 ZINC000342815018 374601890 /nfs/dbraw/zinc/60/18/90/374601890.db2.gz ONSQKUOGJOZEDC-LSDHHAIUSA-N 2 0 286.460 1.607 10 0 CDAERP CC(C)n1ncnc1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000226347583 375313582 /nfs/dbraw/zinc/31/35/82/375313582.db2.gz SJRKPIPLLGVKPB-UHFFFAOYSA-N 2 0 265.405 1.681 10 0 CDAERP C[NH2+]C(C)(C)CNC(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000415980059 375507912 /nfs/dbraw/zinc/50/79/12/375507912.db2.gz YKLUNPKJHIGXLU-UHFFFAOYSA-N 2 0 292.383 1.288 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000417323690 375779841 /nfs/dbraw/zinc/77/98/41/375779841.db2.gz YOSJEYOFMANYNL-HIFRSBDPSA-N 2 0 282.432 1.112 10 0 CDAERP C[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2Cc3ccccc3[C@@H]2O)C1 ZINC000245856663 376255301 /nfs/dbraw/zinc/25/53/01/376255301.db2.gz NSHFARILAWURGR-RCBQFDQVSA-N 2 0 260.381 1.528 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000638979294 376333896 /nfs/dbraw/zinc/33/38/96/376333896.db2.gz AIGZAGVWFLBOFB-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246534224 376939316 /nfs/dbraw/zinc/93/93/16/376939316.db2.gz XXHAGFZQZLUTQU-RRFJBIMHSA-N 2 0 298.475 1.841 10 0 CDAERP CC[N@H+](CCNC(=O)N[C@H]1C[NH2+]CC[C@H]1C)C(C)C ZINC000417453953 377242748 /nfs/dbraw/zinc/24/27/48/377242748.db2.gz BOJYWDKYGRWNMQ-OLZOCXBDSA-N 2 0 270.421 1.014 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH+](C)C)CC[N@@H+]1C ZINC000632300999 377264689 /nfs/dbraw/zinc/26/46/89/377264689.db2.gz JUNJFILTZHZTSE-QWHCGFSZSA-N 2 0 255.406 1.127 10 0 CDAERP C[C@@H]1CN(C(=O)NC2CCC(C[NH+](C)C)CC2)CC[C@H]1[NH3+] ZINC000334923329 377691506 /nfs/dbraw/zinc/69/15/06/377691506.db2.gz HBTWJHXHTPVAIZ-XSCHDIRWSA-N 2 0 296.459 1.486 10 0 CDAERP CCC[C@H](C(=O)N1CCC[C@H]([NH+](C)C)C1)[NH+](C)C ZINC000161966112 377808058 /nfs/dbraw/zinc/80/80/58/377808058.db2.gz OQCRPHSEKMZKBS-QWHCGFSZSA-N 2 0 255.406 1.269 10 0 CDAERP C[NH2+]CCCNC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000417537559 377903885 /nfs/dbraw/zinc/90/38/85/377903885.db2.gz SSIOLXFPANSORJ-BETUJISGSA-N 2 0 270.421 1.158 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000417609898 378135203 /nfs/dbraw/zinc/13/52/03/378135203.db2.gz MEFYLVHGMTZZRL-AWEZNQCLSA-N 2 0 282.432 1.254 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000193302681 378288709 /nfs/dbraw/zinc/28/87/09/378288709.db2.gz BJPZDOVZMSPYSB-UONOGXRCSA-N 2 0 267.417 1.591 10 0 CDAERP Cc1nc(F)ccc1C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000278562525 194045236 /nfs/dbraw/zinc/04/52/36/194045236.db2.gz WHVDASUCIWYUIV-UHFFFAOYSA-N 2 0 295.402 1.854 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccc(CO)o1 ZINC000657574567 412907157 /nfs/dbraw/zinc/90/71/57/412907157.db2.gz ZWZDAFLGCDCXCL-ZDUSSCGKSA-N 2 0 283.416 1.134 10 0 CDAERP CC(C)[C@H]1CN(C(=O)C[C@@H](C)C2CC[NH2+]CC2)CC[N@@H+]1C ZINC000634300801 379360027 /nfs/dbraw/zinc/36/00/27/379360027.db2.gz MCOLHNMVOLKJKH-GDBMZVCRSA-N 2 0 295.471 1.811 10 0 CDAERP C[N@H+](CCNC(=O)N[C@H](C[NH3+])C(F)(F)F)C1CCCC1 ZINC000655916717 412923626 /nfs/dbraw/zinc/92/36/26/412923626.db2.gz HEWIRWVBWMIUOK-SNVBAGLBSA-N 2 0 296.337 1.050 10 0 CDAERP C1CC2(C1)C[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)CO2 ZINC000657630258 412952556 /nfs/dbraw/zinc/95/25/56/412952556.db2.gz AFGOQDCMYOEXSS-MELADBBJSA-N 2 0 250.386 1.914 10 0 CDAERP CC(C)[NH2+]CCCNC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662409549 412978167 /nfs/dbraw/zinc/97/81/67/412978167.db2.gz BJOGJCZAQMXZTH-UHFFFAOYSA-N 2 0 294.399 1.260 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662437751 413017876 /nfs/dbraw/zinc/01/78/76/413017876.db2.gz STTZSQZUUSEADE-HNNXBMFYSA-N 2 0 275.396 1.677 10 0 CDAERP CCO[C@@H]1CN(C(=O)CC[C@H]2CCCC[N@@H+]2C)C[C@H]1C[NH3+] ZINC000653349168 413021611 /nfs/dbraw/zinc/02/16/11/413021611.db2.gz CGKBOLFSPAIBDN-RBSFLKMASA-N 2 0 297.443 1.073 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(c2cccc(C(N)=[NH2+])n2)C1 ZINC000081621319 177832853 /nfs/dbraw/zinc/83/28/53/177832853.db2.gz GZMRDYWKEXDPCI-LLVKDONJSA-N 2 0 261.373 1.286 10 0 CDAERP [NH3+]Cc1ccc(-c2noc(C[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000647158891 390604126 /nfs/dbraw/zinc/60/41/26/390604126.db2.gz TYUOQMDYQPIQKN-NSHDSACASA-N 2 0 258.325 1.347 10 0 CDAERP CN(C(=O)[C@H]1CCC[NH+]1C1CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000426307975 390871578 /nfs/dbraw/zinc/87/15/78/390871578.db2.gz UIWPRPNDICNPET-HUUCEWRRSA-N 2 0 277.412 1.308 10 0 CDAERP C[C@H]([NH2+]CC(C)(C)[C@@]1(O)CCOC1)C1CC[NH+](C)CC1 ZINC000647341663 390943399 /nfs/dbraw/zinc/94/33/99/390943399.db2.gz ZMJKOGBRCYFZBD-XJKSGUPXSA-N 2 0 284.444 1.484 10 0 CDAERP C[C@H]([NH2+]CC(C)(C)[C@]1(O)CCOC1)C1CC[NH+](C)CC1 ZINC000647341660 390943459 /nfs/dbraw/zinc/94/34/59/390943459.db2.gz ZMJKOGBRCYFZBD-BBRMVZONSA-N 2 0 284.444 1.484 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CC2)CC[N@@H+]1C ZINC000426793815 390909321 /nfs/dbraw/zinc/90/93/21/390909321.db2.gz OYZGRKMRTFENLU-YUELXQCFSA-N 2 0 279.428 1.554 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N[C@@H](C[NH3+])CC(C)C)CC1 ZINC000417751346 391026101 /nfs/dbraw/zinc/02/61/01/391026101.db2.gz PEODDNSFMVRXCO-OAHLLOKOSA-N 2 0 298.475 1.781 10 0 CDAERP C(C1CC[NH2+]CC1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647479722 390966846 /nfs/dbraw/zinc/96/68/46/390966846.db2.gz QZEYLWLQSLSBHY-HUUCEWRRSA-N 3 0 251.418 1.450 10 0 CDAERP C[C@@H](Cc1ccccc1)C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000415102250 391028658 /nfs/dbraw/zinc/02/86/58/391028658.db2.gz DGTXYTAQYLCSIG-HOCLYGCPSA-N 2 0 262.397 1.915 10 0 CDAERP C[N@@H+]1CCC[C@H](CNC(=O)NCC[NH3+])[C@@H]1c1cccs1 ZINC000417732253 390993369 /nfs/dbraw/zinc/99/33/69/390993369.db2.gz GYDNWVYHPQPQEG-DGCLKSJQSA-N 2 0 296.440 1.389 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)N[C@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000417946692 391008432 /nfs/dbraw/zinc/00/84/32/391008432.db2.gz ZFJZFURMTBFRNN-SHWKFHJASA-N 2 0 296.459 1.533 10 0 CDAERP CN(C)C(=O)[C@@H](Cc1ccccc1)[NH2+]C1CCC([NH3+])CC1 ZINC000415089163 391011717 /nfs/dbraw/zinc/01/17/17/391011717.db2.gz NAGMLELUMLMZKA-UYSNPLJNSA-N 2 0 289.423 1.545 10 0 CDAERP Cc1cc(C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)ccn1 ZINC000527653574 391086771 /nfs/dbraw/zinc/08/67/71/391086771.db2.gz MTQSEVOUICCKHP-CQSZACIVSA-N 2 0 262.401 1.116 10 0 CDAERP COc1nccnc1C[NH2+]CCC1CC[NH+](C)CC1 ZINC000294909928 533279956 /nfs/dbraw/zinc/27/99/56/533279956.db2.gz CAOSCKFPAZTIGY-UHFFFAOYSA-N 2 0 264.373 1.307 10 0 CDAERP NC(=O)C[C@H]1CCCC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000647882672 391139144 /nfs/dbraw/zinc/13/91/44/391139144.db2.gz LORUFHILYAWWJL-CQSZACIVSA-N 2 0 267.417 1.496 10 0 CDAERP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](C)O[C@@H](C)[C@H]2C)CC1 ZINC000337449386 391152910 /nfs/dbraw/zinc/15/29/10/391152910.db2.gz DMSWJPKXLVJPPI-ZACQAIPSSA-N 2 0 297.487 1.900 10 0 CDAERP C(C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)[C@@H]1CCC[NH2+]C1 ZINC000647903036 391199158 /nfs/dbraw/zinc/19/91/58/391199158.db2.gz FEWDQXMJRGNBSS-XHSDSOJGSA-N 3 0 265.445 1.840 10 0 CDAERP Cc1noc(CCC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)n1 ZINC000647903209 391199599 /nfs/dbraw/zinc/19/95/99/391199599.db2.gz GXPXFPJCSNJJGQ-KBPBESRZSA-N 2 0 278.400 1.775 10 0 CDAERP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCCC[NH3+])C1 ZINC000418314229 391302273 /nfs/dbraw/zinc/30/22/73/391302273.db2.gz RWFQBGJXOXZIDR-GJZGRUSLSA-N 2 0 296.459 1.631 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000417025683 391340563 /nfs/dbraw/zinc/34/05/63/391340563.db2.gz NECGYQZRLCAMEV-RQJABVFESA-N 2 0 284.448 1.389 10 0 CDAERP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353528062 391394890 /nfs/dbraw/zinc/39/48/90/391394890.db2.gz FZTYEYREDQKFGM-SBJFKYEJSA-N 2 0 254.418 1.856 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(C(C)(C)C)C2)[C@H]2CCC[C@H]21 ZINC000353632236 391397826 /nfs/dbraw/zinc/39/78/26/391397826.db2.gz ONNOWDZKZWIDBJ-APIJFGDWSA-N 2 0 293.455 1.848 10 0 CDAERP CC1=C[C@H](C)C[C@H](C[NH2+]C[C@@](C)(O)C[NH+](C)C)C1 ZINC000227935306 391401975 /nfs/dbraw/zinc/40/19/75/391401975.db2.gz ICXBAWZQNZTTQY-AEGPPILISA-N 2 0 254.418 1.881 10 0 CDAERP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000527800165 391514951 /nfs/dbraw/zinc/51/49/51/391514951.db2.gz WRRAIXGJBYZMPQ-CABCVRRESA-N 2 0 275.396 1.849 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000418735335 391534912 /nfs/dbraw/zinc/53/49/12/391534912.db2.gz XCUJNPAZIMCCOB-RYUDHWBXSA-N 2 0 270.421 1.143 10 0 CDAERP OC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccsc1 ZINC000647795674 391642964 /nfs/dbraw/zinc/64/29/64/391642964.db2.gz SWTHRSZPNKBAOE-DEQVHRJGSA-N 2 0 266.410 1.759 10 0 CDAERP CCc1nn(C)c(CC)c1C[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415059728 391740118 /nfs/dbraw/zinc/74/01/18/391740118.db2.gz YSFHKIBVCYAQQP-MLGOLLRUSA-N 2 0 278.444 1.962 10 0 CDAERP CC[C@@H]1C[C@@H](C[NH2+]C[C@@H]2C[NH2+]CCCO2)CCO1 ZINC000415051573 391726781 /nfs/dbraw/zinc/72/67/81/391726781.db2.gz ZXUYJWUNLBSDIW-MJBXVCDLSA-N 2 0 256.390 1.160 10 0 CDAERP CC[NH2+]CCNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000417664558 391727307 /nfs/dbraw/zinc/72/73/07/391727307.db2.gz WUKKZRQONJBPEW-UHFFFAOYSA-N 2 0 296.390 1.296 10 0 CDAERP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)COC1CCC([NH3+])CC1 ZINC000647650108 391787814 /nfs/dbraw/zinc/78/78/14/391787814.db2.gz IVRYGHZQTBVHFM-GFJIZPEISA-N 2 0 283.416 1.001 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000418190329 391796114 /nfs/dbraw/zinc/79/61/14/391796114.db2.gz WBJNLXOVPOWBNI-QLFBSQMISA-N 2 0 294.443 1.254 10 0 CDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H]2CCCO2)CC1 ZINC000247079583 391895246 /nfs/dbraw/zinc/89/52/46/391895246.db2.gz GYDKRGLCWSDWDY-UKRRQHHQSA-N 2 0 270.417 1.190 10 0 CDAERP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000452368462 391995368 /nfs/dbraw/zinc/99/53/68/391995368.db2.gz COWQEMKUOAGXOK-UONOGXRCSA-N 2 0 299.459 1.116 10 0 CDAERP C[C@H]1C[NH2+]CCN1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000334915303 391976354 /nfs/dbraw/zinc/97/63/54/391976354.db2.gz FEOJDGQMTVFGCQ-NSHDSACASA-N 2 0 282.432 1.299 10 0 CDAERP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc2c(c1)sc(=O)n2C ZINC000261785889 392022162 /nfs/dbraw/zinc/02/21/62/392022162.db2.gz FTZPVYHZQAYWEN-ZYHUDNBSSA-N 2 0 291.420 1.769 10 0 CDAERP Cc1cc([C@@H]2CCC[N@H+](C[C@@]3(C)CC[NH2+]C3)C2)[nH]n1 ZINC000261998019 392029463 /nfs/dbraw/zinc/02/94/63/392029463.db2.gz KYRMNAAMZUTFPC-HIFRSBDPSA-N 2 0 262.401 1.897 10 0 CDAERP CCC[N@H+](C)CC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000457976348 392309859 /nfs/dbraw/zinc/30/98/59/392309859.db2.gz ORUAJRVJWJEBEO-UHFFFAOYSA-N 2 0 260.341 1.292 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H](CO)Cc1cccc(C)c1 ZINC000423071452 392317142 /nfs/dbraw/zinc/31/71/42/392317142.db2.gz OGJWMUVCBBCLNU-HZPDHXFCSA-N 2 0 280.412 1.242 10 0 CDAERP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CC[C@@H](OC)C2)CC[NH2+]CC1 ZINC000423076761 392320450 /nfs/dbraw/zinc/32/04/50/392320450.db2.gz ZQJMVEOXAWGZCW-MELADBBJSA-N 2 0 298.427 1.465 10 0 CDAERP CNC(=O)C[C@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccccc1 ZINC000423093398 392337245 /nfs/dbraw/zinc/33/72/45/392337245.db2.gz HIPNNRUYCBTPAN-ZFWWWQNUSA-N 2 0 277.412 1.971 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H]1CCc2c1cccc2OC ZINC000629528692 392385517 /nfs/dbraw/zinc/38/55/17/392385517.db2.gz GVUKTGCDEAUOTF-CQSZACIVSA-N 2 0 264.369 1.508 10 0 CDAERP CCO[C@H](C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)C1CC1 ZINC000629532795 392391644 /nfs/dbraw/zinc/39/16/44/392391644.db2.gz TVOFPDZBZHFRAZ-OAGGEKHMSA-N 2 0 282.428 1.630 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CCO[C@@H](C(C)C)C1 ZINC000423154674 392393560 /nfs/dbraw/zinc/39/35/60/392393560.db2.gz PHPZNXGNLATHSS-SOUVJXGZSA-N 2 0 272.433 1.781 10 0 CDAERP COc1cccc(NC(=O)C[C@H](C)[NH2+]CCC[NH3+])c1 ZINC000437770165 392488677 /nfs/dbraw/zinc/48/86/77/392488677.db2.gz CFUBFFYKBPZQCB-NSHDSACASA-N 2 0 265.357 1.351 10 0 CDAERP CCC([NH3+])(CC)CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000423291710 392490642 /nfs/dbraw/zinc/49/06/42/392490642.db2.gz JOTRHBJVFLYYAV-MGPQQGTHSA-N 2 0 253.434 1.966 10 0 CDAERP C[NH+](C)CC(C)(C)NC(=O)Cn1cnc2c1CCCC2 ZINC000574376756 392581084 /nfs/dbraw/zinc/58/10/84/392581084.db2.gz CMXGMUMHDQZPGX-UHFFFAOYSA-N 2 0 278.400 1.218 10 0 CDAERP C[C@H](C[NH2+][C@@H](C)Cc1ccoc1)N1CC[NH+](C)CC1 ZINC000449134786 392665290 /nfs/dbraw/zinc/66/52/90/392665290.db2.gz LJRBPFJUPFFTCV-UONOGXRCSA-N 2 0 265.401 1.436 10 0 CDAERP CCC[NH+]1CCC(C[NH2+]Cc2ccnc(OC)n2)CC1 ZINC000449130254 392663439 /nfs/dbraw/zinc/66/34/39/392663439.db2.gz GFWGXAWLCYUMJH-UHFFFAOYSA-N 2 0 278.400 1.697 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCCSCC2)CC1 ZINC000657836130 413054817 /nfs/dbraw/zinc/05/48/17/413054817.db2.gz YQKBBKDBPRBFAH-OAHLLOKOSA-N 2 0 285.501 1.889 10 0 CDAERP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C(C)(C)C(F)F ZINC000657845963 413055614 /nfs/dbraw/zinc/05/56/14/413055614.db2.gz MNOQITJPWFNVGO-GHMZBOCLSA-N 2 0 264.360 1.713 10 0 CDAERP C[C@H](O)CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000450890209 392985690 /nfs/dbraw/zinc/98/56/90/392985690.db2.gz UQBVWEFPTXZMFR-BHYGNILZSA-N 2 0 274.408 1.821 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CCN2CCC([NH+](C)C)CC2)[C@H]1C ZINC000495077513 393172062 /nfs/dbraw/zinc/17/20/62/393172062.db2.gz DWNUDPNFTJHMRI-VNHYZAJKSA-N 2 0 253.434 1.647 10 0 CDAERP CC[C@@H]1[C@H](CO)CC[NH+]1CCC[N@H+]1CC[C@H](CO)[C@@H]1CC ZINC000451248726 393176162 /nfs/dbraw/zinc/17/61/62/393176162.db2.gz BDRYCPIIQIAHMF-ZYGGUILKSA-N 2 0 298.471 1.562 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2C[C@@H](C)[C@@H]2C)CC1 ZINC000494923089 393131223 /nfs/dbraw/zinc/13/12/23/393131223.db2.gz MMWRBGCCNRYVSL-APIJFGDWSA-N 2 0 253.434 1.647 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000645951184 393426778 /nfs/dbraw/zinc/42/67/78/393426778.db2.gz HNSHQPXEOGCCAZ-XQQFMLRXSA-N 2 0 267.417 1.364 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)N(CC)[C@@H]1CC[NH+](C)C1 ZINC000664094980 413075764 /nfs/dbraw/zinc/07/57/64/413075764.db2.gz GZPWHPNPMFZLFM-CQSZACIVSA-N 2 0 284.448 1.454 10 0 CDAERP C[NH+](C)[C@H]1CCN(C(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000229409216 140201006 /nfs/dbraw/zinc/20/10/06/140201006.db2.gz ZRTBJQFPIOMGFN-ZDUSSCGKSA-N 2 0 267.417 1.448 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCc2ccccc2C1 ZINC000234809042 140232059 /nfs/dbraw/zinc/23/20/59/140232059.db2.gz UPBKHAVJIKKDSY-CVEARBPZSA-N 2 0 262.397 1.887 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1cccc2c1OCO2 ZINC000234795275 140232274 /nfs/dbraw/zinc/23/22/74/140232274.db2.gz RRNAKJGTFKKXNX-LBPRGKRZSA-N 2 0 266.341 1.259 10 0 CDAERP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCCSCC2)CC1 ZINC000657899371 413078137 /nfs/dbraw/zinc/07/81/37/413078137.db2.gz UJCVQUBQZOECPE-AWEZNQCLSA-N 2 0 285.501 1.888 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C[NH3+])c2ccccc2)C1 ZINC000245381759 140264445 /nfs/dbraw/zinc/26/44/45/140264445.db2.gz FGGDTQHEBOMESC-LSDHHAIUSA-N 2 0 275.396 1.329 10 0 CDAERP COCC[N@@H+]1CCN(CC[C@H]2CCC[NH+]2C)C[C@H]1C ZINC000245711623 140276274 /nfs/dbraw/zinc/27/62/74/140276274.db2.gz ZLGXVBWZJSVIHL-HUUCEWRRSA-N 2 0 269.433 1.123 10 0 CDAERP COc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1OC ZINC000261656196 140370873 /nfs/dbraw/zinc/37/08/73/140370873.db2.gz YSSBMYHUYIFOLR-AAEUAGOBSA-N 2 0 264.369 1.791 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C[C@@]2(C)CC[NH2+]C2)[C@@H](C)C1 ZINC000261736571 140382926 /nfs/dbraw/zinc/38/29/26/140382926.db2.gz HZJRONQCYBGVDM-KKUMJFAQSA-N 3 0 253.434 1.648 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261762518 140386282 /nfs/dbraw/zinc/38/62/82/140386282.db2.gz FIRLZCFCXICPTE-UKRRQHHQSA-N 2 0 297.443 1.121 10 0 CDAERP CCCC(=O)NC[C@H]1CCC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261954903 140410415 /nfs/dbraw/zinc/41/04/15/140410415.db2.gz GOPVADVDTFYZSC-ZBFHGGJFSA-N 2 0 281.444 1.614 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@H](C)CC[NH+](C)C)CC1 ZINC001583201731 1172746766 /nfs/dbraw/zinc/74/67/66/1172746766.db2.gz FORNSJWCLWOEGZ-CYBMUJFWSA-N 2 0 269.433 1.422 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000662558700 413124587 /nfs/dbraw/zinc/12/45/87/413124587.db2.gz IZZGKAUFMADRHD-HNNXBMFYSA-N 2 0 293.411 1.116 10 0 CDAERP CCN(C(=O)N[C@H]1CC[NH+](CC2CC2)C1)[C@@H]1CC[N@H+](C)C1 ZINC000664184812 413129607 /nfs/dbraw/zinc/12/96/07/413129607.db2.gz ZJIDSNHHTXHISO-LSDHHAIUSA-N 2 0 294.443 1.206 10 0 CDAERP C[C@@H]1CN(C(=O)C[C@H]2[NH2+]Cc3ccccc32)C[C@@]1(C)C[NH3+] ZINC000662575179 413144020 /nfs/dbraw/zinc/14/40/20/413144020.db2.gz SCANFALYARIMOS-SRCQZFHVSA-N 2 0 287.407 1.664 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000662593674 413160175 /nfs/dbraw/zinc/16/01/75/413160175.db2.gz PYMTZKFNDZAJRR-ZIAGYGMSSA-N 2 0 281.444 1.613 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](OC)[C@H]2CCOC2)[C@H](C)C1 ZINC000658074246 413174431 /nfs/dbraw/zinc/17/44/31/413174431.db2.gz SAEZBNFFPDXYEJ-QPSCCSFWSA-N 2 0 270.417 1.358 10 0 CDAERP COC(=O)CC1(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)CC1 ZINC000420402085 397702716 /nfs/dbraw/zinc/70/27/16/397702716.db2.gz QBUZKAOVFXHDJX-ZIAGYGMSSA-N 2 0 280.412 1.794 10 0 CDAERP [NH3+]C[C@@H](c1nc([C@H]2CCC[NH2+]2)no1)c1ccc(F)cc1 ZINC000647147989 397874205 /nfs/dbraw/zinc/87/42/05/397874205.db2.gz CSYNRKPHOJQQIC-VXGBXAGGSA-N 2 0 276.315 1.724 10 0 CDAERP CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H]1CCCOC1 ZINC000649755410 397934950 /nfs/dbraw/zinc/93/49/50/397934950.db2.gz NKQWOPYGUWDFFC-KRWDZBQOSA-N 2 0 297.487 1.903 10 0 CDAERP CN(Cc1ccccc1)C[C@H](O)C[N@H+](C)CC(C)(C)CO ZINC000649803961 397966110 /nfs/dbraw/zinc/96/61/10/397966110.db2.gz FOXYBWRIPVSSBM-INIZCTEOSA-N 2 0 294.439 1.430 10 0 CDAERP C[NH+](C)CCN1CC[N@H+](CCC(C)(C)C)CC1=O ZINC000649685134 397897498 /nfs/dbraw/zinc/89/74/98/397897498.db2.gz PPYGSUZHUNXDDB-UHFFFAOYSA-N 2 0 255.406 1.128 10 0 CDAERP C[C@H]([NH2+]C[C@H]1CCCCN1CCO)C1CC[NH+](C)CC1 ZINC000651381411 397969011 /nfs/dbraw/zinc/96/90/11/397969011.db2.gz DBCDPLLUACRKBV-GOEBONIOSA-N 2 0 283.460 1.153 10 0 CDAERP COC[C@H](CC[NH2+]C1CC[NH+](C(C)C)CC1)OC ZINC000658083736 413183110 /nfs/dbraw/zinc/18/31/10/413183110.db2.gz BDVCKLPQOAEWCI-AWEZNQCLSA-N 2 0 258.406 1.500 10 0 CDAERP Cc1[nH+]ccc(NCCN(C)CCC[NH+](C)C)c1Cl ZINC000664247602 413188434 /nfs/dbraw/zinc/18/84/34/413188434.db2.gz CXAUPYPVKJXESQ-UHFFFAOYSA-N 2 0 284.835 1.761 10 0 CDAERP CC[N@H+](CC(=O)NC1CCC(C[NH+](C)C)CC1)C1CC1 ZINC000154202072 289197680 /nfs/dbraw/zinc/19/76/80/289197680.db2.gz CRBDJRIYKGOIFZ-UHFFFAOYSA-N 2 0 281.444 1.707 10 0 CDAERP Cn1ccnc1[C@H]1CCC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262016461 149000675 /nfs/dbraw/zinc/00/06/75/149000675.db2.gz MTEKXGAHYQEVRC-DZGCQCFKSA-N 2 0 262.401 1.599 10 0 CDAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1csc2ccccc12 ZINC000262090858 149014399 /nfs/dbraw/zinc/01/43/99/149014399.db2.gz GVIZGBHOEKCGOS-GXFFZTMASA-N 2 0 262.378 1.571 10 0 CDAERP C[C@H](C(=O)NCC1([NH3+])CCCCCC1)C1C[NH2+]C1 ZINC000262207660 149034630 /nfs/dbraw/zinc/03/46/30/149034630.db2.gz NTHSSPQSPHFTES-NSHDSACASA-N 2 0 253.390 1.010 10 0 CDAERP C[C@@H]1CCC[N@H+](CCNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000262658158 149091646 /nfs/dbraw/zinc/09/16/46/149091646.db2.gz DSMKNNZTEJSGBP-QXSJWSMHSA-N 2 0 293.455 1.755 10 0 CDAERP C(NC1=[NH+]CCCN1)[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000262827683 149119392 /nfs/dbraw/zinc/11/93/92/149119392.db2.gz QSLJSEZOBXIASU-CQSZACIVSA-N 2 0 264.417 1.722 10 0 CDAERP Cc1cnn(CC[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c1 ZINC000404281029 413236479 /nfs/dbraw/zinc/23/64/79/413236479.db2.gz DYTPOPTYHOHOGV-KGLIPLIRSA-N 2 0 250.390 1.641 10 0 CDAERP C[C@@H]1C[C@H](NCc2ccc3c[nH+]cn3c2)CC[N@@H+]1C ZINC000334865392 150007824 /nfs/dbraw/zinc/00/78/24/150007824.db2.gz ANQHGARNZIIWTP-TZMCWYRMSA-N 2 0 258.369 1.907 10 0 CDAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000335039176 150215120 /nfs/dbraw/zinc/21/51/20/150215120.db2.gz CYVIVDINBOFFOV-GXFFZTMASA-N 2 0 258.325 1.062 10 0 CDAERP COc1ccc([C@@H](N[C@@H]2CCC[NH2+]C2)[C@H]2CCC[NH2+]2)cc1 ZINC000423358841 286359965 /nfs/dbraw/zinc/35/99/65/286359965.db2.gz OAHPBUHAWDPFTE-DJIMGWMZSA-N 2 0 289.423 1.830 10 0 CDAERP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)C[NH+]1CCCC1 ZINC000347030181 153385389 /nfs/dbraw/zinc/38/53/89/153385389.db2.gz BCOGZXIOQKUALB-CQSZACIVSA-N 2 0 281.444 1.566 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662683429 413307725 /nfs/dbraw/zinc/30/77/25/413307725.db2.gz ZGAUXMFZCAOBPS-GFCCVEGCSA-N 2 0 265.401 1.119 10 0 CDAERP CC(C)[C@@H]([NH3+])C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000662685923 413309759 /nfs/dbraw/zinc/30/97/59/413309759.db2.gz IMPZGIYHDHCIRQ-ZIAGYGMSSA-N 2 0 277.368 1.269 10 0 CDAERP COc1ccccc1N1CCC([NH2+][C@@H](C)C2C[NH2+]C2)CC1 ZINC000422828432 286500684 /nfs/dbraw/zinc/50/06/84/286500684.db2.gz AYRBHQNYGWGTIV-ZDUSSCGKSA-N 2 0 289.423 1.862 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]CCc2cncc(C)n2)[C@H](C)C1 ZINC000658260802 413323819 /nfs/dbraw/zinc/32/38/19/413323819.db2.gz FLLAIURAEMJCQI-DOMZBBRYSA-N 2 0 262.401 1.647 10 0 CDAERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H](CC(=O)OC)[C@@H]2C)C1 ZINC000354166580 156302753 /nfs/dbraw/zinc/30/27/53/156302753.db2.gz UNFQUXFKFNOBCM-GBJTYRQASA-N 2 0 282.428 1.896 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N(C)CC[NH+](C)C ZINC000356115441 157360126 /nfs/dbraw/zinc/36/01/26/157360126.db2.gz TZEJTDBXEDDAMY-ZIAGYGMSSA-N 2 0 284.448 1.452 10 0 CDAERP C[NH+](C)CCCCNC(=O)CC1CC[NH+](C)CC1 ZINC000362763646 159232543 /nfs/dbraw/zinc/23/25/43/159232543.db2.gz UWSBXHUMCIDLAP-UHFFFAOYSA-N 2 0 255.406 1.176 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000662730559 413396482 /nfs/dbraw/zinc/39/64/82/413396482.db2.gz JDLULBRHAWUPOJ-CFVMTHIKSA-N 2 0 277.412 1.812 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000662730931 413397160 /nfs/dbraw/zinc/39/71/60/413397160.db2.gz VKDGHPRGRHOGTA-MGPQQGTHSA-N 2 0 269.433 1.774 10 0 CDAERP CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662734985 413404620 /nfs/dbraw/zinc/40/46/20/413404620.db2.gz UTCIJBRSEJBHDE-NSHDSACASA-N 2 0 294.399 1.473 10 0 CDAERP CCC[C@H]1C[NH2+]CCN1C(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662765276 413459794 /nfs/dbraw/zinc/45/97/94/413459794.db2.gz RTEJFDAUPBFJKL-JTQLQIEISA-N 2 0 280.372 1.083 10 0 CDAERP O=C(N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C1([NH2+]C2CC2)CCC1 ZINC000662769129 413466581 /nfs/dbraw/zinc/46/65/81/413466581.db2.gz CDNRQWLUQGNDJQ-BETUJISGSA-N 2 0 263.385 1.014 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653114242 411818145 /nfs/dbraw/zinc/81/81/45/411818145.db2.gz AYIJTNVLXSJGQZ-ZIAGYGMSSA-N 2 0 267.417 1.365 10 0 CDAERP COc1cc(C[NH2+]CCCN2CC[NH+](C)CC2)ccc1O ZINC000020128303 171014634 /nfs/dbraw/zinc/01/46/34/171014634.db2.gz NCHQUBSIGLPDTJ-UHFFFAOYSA-N 2 0 293.411 1.128 10 0 CDAERP CC[NH+]1CCN([C@@H](C)C(=O)Nc2ccccc2C[NH3+])CC1 ZINC000022219226 171376922 /nfs/dbraw/zinc/37/69/22/171376922.db2.gz VTMWZQZUQNSNII-ZDUSSCGKSA-N 2 0 290.411 1.110 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000653210547 412140843 /nfs/dbraw/zinc/14/08/43/412140843.db2.gz AHMNPRQDCKBYQS-QGZVFWFLSA-N 2 0 297.402 1.592 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC000653176112 412116311 /nfs/dbraw/zinc/11/63/11/412116311.db2.gz KKGKAIILUISUJK-KBPBESRZSA-N 2 0 269.433 1.469 10 0 CDAERP COCC[C@@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000656679650 413526676 /nfs/dbraw/zinc/52/66/76/413526676.db2.gz YZOSXFVFIVAGGB-CQSZACIVSA-N 2 0 284.444 1.892 10 0 CDAERP CC[C@@H]1C[N@H+](CC)CCN1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654663465 413557372 /nfs/dbraw/zinc/55/73/72/413557372.db2.gz POBAEUZPFOUFTL-KFWWJZLASA-N 2 0 296.459 1.452 10 0 CDAERP CC[C@H](C)[C@H]([NH3+])C(=O)N(C)C1CC[NH+](CC)CC1 ZINC000036135369 172457887 /nfs/dbraw/zinc/45/78/87/172457887.db2.gz KYXDWAHUCNKJGY-AAEUAGOBSA-N 2 0 255.406 1.303 10 0 CDAERP CN1c2ccccc2C[C@H]([NH2+]CC2CC[NH2+]CC2)C1=O ZINC000656787938 413668012 /nfs/dbraw/zinc/66/80/12/413668012.db2.gz ZXHDANDBFCVPSK-AWEZNQCLSA-N 2 0 273.380 1.163 10 0 CDAERP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H](CCF)C2)C1 ZINC000656792187 413673086 /nfs/dbraw/zinc/67/30/86/413673086.db2.gz PMGZRYOLHQXGDF-KGLIPLIRSA-N 2 0 285.407 1.255 10 0 CDAERP [NH3+]C1(C(=O)NCCC[C@@H]2CCC[NH2+]2)CC2(CCC2)C1 ZINC000659310405 413700307 /nfs/dbraw/zinc/70/03/07/413700307.db2.gz APMRSSUYQZXJPZ-LBPRGKRZSA-N 2 0 265.401 1.296 10 0 CDAERP CC(C)[NH2+]CC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659364246 413748347 /nfs/dbraw/zinc/74/83/47/413748347.db2.gz KNUCOYTXUOLGJC-AWEZNQCLSA-N 2 0 277.368 1.284 10 0 CDAERP [NH3+][C@@H]1CN(C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC[C@H]1F ZINC000659388806 413775372 /nfs/dbraw/zinc/77/53/72/413775372.db2.gz MXXPEAROBWVDJB-FDYHWXHSSA-N 2 0 271.380 1.182 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000659435018 413818212 /nfs/dbraw/zinc/81/82/12/413818212.db2.gz UOSQQJXFGWULCX-QLFBSQMISA-N 2 0 298.475 1.779 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000659452702 413839393 /nfs/dbraw/zinc/83/93/93/413839393.db2.gz OILXCZGCAVVLNL-RBSFLKMASA-N 2 0 298.475 1.922 10 0 CDAERP COC[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)C1CCOCC1 ZINC000661160795 413848413 /nfs/dbraw/zinc/84/84/13/413848413.db2.gz NNMKPIILPQFGIY-HZPDHXFCSA-N 2 0 284.444 1.892 10 0 CDAERP CC[NH2+]CCCNC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659505265 413896946 /nfs/dbraw/zinc/89/69/46/413896946.db2.gz KRPQSNUZWHBLJY-OAHLLOKOSA-N 2 0 296.459 1.407 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)C2CC2)CC1 ZINC000665285615 414024462 /nfs/dbraw/zinc/02/44/62/414024462.db2.gz ROYCAKJMLQRHEE-LBPRGKRZSA-N 2 0 267.417 1.365 10 0 CDAERP CC[N@@H+]1C[C@H](C)N(C(=O)NCC[C@@H]([NH3+])C(C)C)C[C@@H]1C ZINC000659622217 414032267 /nfs/dbraw/zinc/03/22/67/414032267.db2.gz ONBRNMDBNYXHNX-MELADBBJSA-N 2 0 284.448 1.484 10 0 CDAERP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C2CCC2)CC1 ZINC000661373370 414034195 /nfs/dbraw/zinc/03/41/95/414034195.db2.gz BJZSOLJPVRWMGH-OAHLLOKOSA-N 2 0 254.418 1.811 10 0 CDAERP CC(C)C1CC([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000665293377 414034788 /nfs/dbraw/zinc/03/47/88/414034788.db2.gz ZTACTUQHKPEOSE-UHFFFAOYSA-N 2 0 250.346 1.165 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000659624101 414035309 /nfs/dbraw/zinc/03/53/09/414035309.db2.gz ORIWXHDSRUWJJC-ZIAGYGMSSA-N 2 0 282.432 1.238 10 0 CDAERP CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]C2CCC(O)CC2)C1 ZINC000037209793 173031734 /nfs/dbraw/zinc/03/17/34/173031734.db2.gz OLJWUSQXQSSXAN-LMRVLLHPSA-N 2 0 254.418 2.000 10 0 CDAERP CC[NH+]1CCC([C@@H](C)[NH2+]C2CCC(O)CC2)CC1 ZINC000037209786 173032247 /nfs/dbraw/zinc/03/22/47/173032247.db2.gz YUGYXZGVUWFKLK-LRVUVFPRSA-N 2 0 254.418 2.000 10 0 CDAERP C[C@@H]1CN(C(=O)NC[C@H]2CC[NH+]2C(C)(C)C)C[C@H](C)[N@H+]1C ZINC000661406702 414059808 /nfs/dbraw/zinc/05/98/08/414059808.db2.gz FXYQFAZMEZWUMN-HZSPNIEDSA-N 2 0 296.459 1.593 10 0 CDAERP c1nc2n(c1C[NH2+]CCCC[NH+]1CCOCC1)CCC2 ZINC000657312166 414152310 /nfs/dbraw/zinc/15/23/10/414152310.db2.gz DQKZUWGFSKZHOJ-UHFFFAOYSA-N 3 0 278.400 1.031 10 0 CDAERP Cn1ncc(C(F)(F)F)c1C[NH2+]CCCC[NH+](C)C ZINC000657334622 414173821 /nfs/dbraw/zinc/17/38/21/414173821.db2.gz FRETVBCUUOVYLG-UHFFFAOYSA-N 2 0 278.322 1.870 10 0 CDAERP COCCOCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657328741 414178237 /nfs/dbraw/zinc/17/82/37/414178237.db2.gz DOPKMXPVCZQFNF-UHFFFAOYSA-N 2 0 276.340 1.020 10 0 CDAERP CCN(C(=O)NCC[NH+](C(C)C)C(C)C)[C@H]1CC[N@H+](C)C1 ZINC000663420472 414244183 /nfs/dbraw/zinc/24/41/83/414244183.db2.gz OHMNQGJZQIPKBL-HNNXBMFYSA-N 2 0 298.475 1.841 10 0 CDAERP CO[C@@H](C[NH+]1CCC([N@H+](C)CCCO)CC1)C1CCC1 ZINC000659930180 414276153 /nfs/dbraw/zinc/27/61/53/414276153.db2.gz BOFKJLHYLQJGIV-INIZCTEOSA-N 2 0 284.444 1.580 10 0 CDAERP CCC[NH+](CCC)CCCC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663488158 414286213 /nfs/dbraw/zinc/28/62/13/414286213.db2.gz POVDIDHGKZNYID-UHFFFAOYSA-N 2 0 297.443 1.089 10 0 CDAERP C(C[NH2+]Cc1nc2c(s1)C[NH2+]CC2)C[C@@H]1CCC[NH2+]1 ZINC000663496014 414294172 /nfs/dbraw/zinc/29/41/72/414294172.db2.gz CAAPIFGQFGZXGE-LLVKDONJSA-N 3 0 280.441 1.411 10 0 CDAERP COc1cccc2c1CC[C@@H]([NH2+]CC13CC(C1)C[NH2+]3)C2 ZINC000663501081 414300863 /nfs/dbraw/zinc/30/08/63/414300863.db2.gz RQWYAKNBIKCEGB-KDJCLPLCSA-N 2 0 272.392 1.894 10 0 CDAERP C[C@@H](CCO)CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657477109 414374290 /nfs/dbraw/zinc/37/42/90/414374290.db2.gz QODRMYPWKNCIPY-CYBMUJFWSA-N 2 0 274.368 1.766 10 0 CDAERP c1nc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)co1 ZINC000657537493 414421849 /nfs/dbraw/zinc/42/18/49/414421849.db2.gz MSFGDIOXBAJQRX-UHFFFAOYSA-N 2 0 279.384 1.655 10 0 CDAERP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000662273062 414604311 /nfs/dbraw/zinc/60/43/11/414604311.db2.gz RWMDGISWZFGVBT-WCVJEAGWSA-N 2 0 293.455 1.742 10 0 CDAERP c1cn(C[C@@H]2CC[N@@H+](CCCC3CC[NH2+]CC3)C2)nn1 ZINC000662296886 414621574 /nfs/dbraw/zinc/62/15/74/414621574.db2.gz VSKVZQHHIUAGAZ-OAHLLOKOSA-N 2 0 277.416 1.380 10 0 CDAERP C(C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)OC[C@H]1CCCO1 ZINC000662297223 414621803 /nfs/dbraw/zinc/62/18/03/414621803.db2.gz OPLCYXXXJHBFEE-DLBZAZTESA-N 2 0 296.455 1.894 10 0 CDAERP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@@H]2C[NH2+]C[C@H]2O)CC1 ZINC000263116851 287288651 /nfs/dbraw/zinc/28/86/51/287288651.db2.gz ARESTBLURMRBKL-YQFWSFKMSA-N 2 0 295.471 1.199 10 0 CDAERP CC[C@@H](C)[NH2+]CC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000038101767 174117697 /nfs/dbraw/zinc/11/76/97/174117697.db2.gz JPVJDDDRKRAESO-CYBMUJFWSA-N 2 0 267.417 1.461 10 0 CDAERP Cc1ccc([C@@H](C)[N@@H+]2CCC[C@@H]2C(=O)N2CC[NH2+]CC2)o1 ZINC000040508153 174303409 /nfs/dbraw/zinc/30/34/09/174303409.db2.gz GISCUTXKGQYCPP-ZIAGYGMSSA-N 2 0 291.395 1.545 10 0 CDAERP CC(C)C[C@H](CNC(=O)C1CCC([NH3+])CC1)[NH+](C)C ZINC000040831374 174413391 /nfs/dbraw/zinc/41/33/91/174413391.db2.gz CJWGDKDMZHJFDZ-JXQTWKCFSA-N 2 0 269.433 1.596 10 0 CDAERP C[C@@H]1CCC[C@H](C(=O)N2CCC(C[NH+](C)C)CC2)[NH2+]1 ZINC000042388318 174705257 /nfs/dbraw/zinc/70/52/57/174705257.db2.gz NZLMJMFNSOUKSZ-TZMCWYRMSA-N 2 0 267.417 1.317 10 0 CDAERP CC[C@H]([NH3+])[C@H](c1ccccn1)N1CC[NH+](C(C)C)CC1 ZINC000043339419 175013576 /nfs/dbraw/zinc/01/35/76/175013576.db2.gz FMTZUFHVIGOBLN-GOEBONIOSA-N 2 0 276.428 1.886 10 0 CDAERP C[C@@H]([NH3+])[C@@H](c1ccccn1)N1CC[NH+](C(C)(C)C)CC1 ZINC000043340020 175013828 /nfs/dbraw/zinc/01/38/28/175013828.db2.gz HTIHYWPWIWSVNV-HIFRSBDPSA-N 2 0 276.428 1.886 10 0 CDAERP C[C@@H]([NH3+])[C@H](N1CCC([NH+](C)C)CC1)C(F)(F)F ZINC000043377608 175029941 /nfs/dbraw/zinc/02/99/41/175029941.db2.gz VDYFTGKXWBXXQR-SCZZXKLOSA-N 2 0 253.312 1.291 10 0 CDAERP CC[C@@H]([NH3+])[C@@H](N(C)C1CC[NH+](C)CC1)C(F)(F)F ZINC000043376461 175030182 /nfs/dbraw/zinc/03/01/82/175030182.db2.gz ORMMADQZFCVWIM-GHMZBOCLSA-N 2 0 267.339 1.681 10 0 CDAERP O=C(CC[C@@H]1CCC[NH2+]C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000043589536 175073557 /nfs/dbraw/zinc/07/35/57/175073557.db2.gz NCNFTGNOAINNDE-UONOGXRCSA-N 2 0 265.401 1.073 10 0 CDAERP CCC[NH2+][C@H]1CCOC[C@@H]1N1CC[NH+](CCC)CC1 ZINC000043805676 175107605 /nfs/dbraw/zinc/10/76/05/175107605.db2.gz GRUPQJILRJAXDL-GJZGRUSLSA-N 2 0 269.433 1.171 10 0 CDAERP C[NH2+][C@H]1CCCCC[C@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815190 175111518 /nfs/dbraw/zinc/11/15/18/175111518.db2.gz YXIZLKIQQNGYKN-LSDHHAIUSA-N 2 0 253.434 1.933 10 0 CDAERP C[NH2+][C@@H]1CCCCC[C@@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815187 175111659 /nfs/dbraw/zinc/11/16/59/175111659.db2.gz YXIZLKIQQNGYKN-CABCVRRESA-N 2 0 253.434 1.933 10 0 CDAERP C[NH2+][C@@H](CN1CCC[N@H+](C)CC1)c1ccccc1C ZINC000043818147 175112875 /nfs/dbraw/zinc/11/28/75/175112875.db2.gz ZVRFOCXHQFCFIR-INIZCTEOSA-N 2 0 261.413 1.893 10 0 CDAERP CCC[NH+]1CCN([C@@H](c2ccco2)[C@@H](C)[NH3+])CC1 ZINC000044419000 175173461 /nfs/dbraw/zinc/17/34/61/175173461.db2.gz FROUEXDJKOCGNS-TZMCWYRMSA-N 2 0 251.374 1.696 10 0 CDAERP CC[C@H](C)[NH2+]CC(=O)NCC1CC[NH+](CC)CC1 ZINC000044526775 175191886 /nfs/dbraw/zinc/19/18/86/175191886.db2.gz JGGFAKGPTXNBTB-LBPRGKRZSA-N 2 0 255.406 1.223 10 0 CDAERP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1N[C@@H]1CC[NH+](C2CC2)C1 ZINC000044686085 175231993 /nfs/dbraw/zinc/23/19/93/175231993.db2.gz YSJDBNYRHASELA-COMQUAJESA-N 2 0 251.418 1.541 10 0 CDAERP C[NH+](C)CC(C)(C)CNC(=O)C1(C[NH3+])CCCCC1 ZINC000044762102 175246487 /nfs/dbraw/zinc/24/64/87/175246487.db2.gz QUHLZQRSXLRWAY-UHFFFAOYSA-N 2 0 269.433 1.600 10 0 CDAERP CCC[C@@H](C[NH3+])C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000044806140 175256657 /nfs/dbraw/zinc/25/66/57/175256657.db2.gz IIPHFGBRRDVBNU-STQMWFEESA-N 2 0 255.406 1.352 10 0 CDAERP CCC[NH2+][C@](C)(CCC[N@@H+]1CCC[C@@H]1C)C(N)=O ZINC000045367948 175362830 /nfs/dbraw/zinc/36/28/30/175362830.db2.gz HQNUOFMELSLFEN-GXTWGEPZSA-N 2 0 255.406 1.495 10 0 CDAERP CC[N@H+](CCCC[C@@](C)([NH2+]C)C(N)=O)CC(C)C ZINC000045381695 175370137 /nfs/dbraw/zinc/37/01/37/175370137.db2.gz HQZQFJQCYSECIA-CQSZACIVSA-N 2 0 257.422 1.598 10 0 CDAERP CC[N@H+](CCCC[C@@](C)([NH3+])C(N)=O)C1CCCC1 ZINC000045390467 175374956 /nfs/dbraw/zinc/37/49/56/175374956.db2.gz IPJYLJZNWKEGSJ-CQSZACIVSA-N 2 0 255.406 1.624 10 0 CDAERP C[N@H+](CCCC[C@](C)([NH2+]C1CC1)C(N)=O)C1CCOCC1 ZINC000045394958 175376380 /nfs/dbraw/zinc/37/63/80/175376380.db2.gz AGYRZYQLDLMEDH-INIZCTEOSA-N 2 0 297.443 1.264 10 0 CDAERP CCC[NH2+][C@](C)(CCC[N@H+](C)C1CCOCC1)C(N)=O ZINC000045418530 175377149 /nfs/dbraw/zinc/37/71/49/175377149.db2.gz BFMRDRQNZGRURE-OAHLLOKOSA-N 2 0 285.432 1.121 10 0 CDAERP CCC[NH2+][C@](C)(CCC[NH+]1CCC(OCC)CC1)C(N)=O ZINC000045420152 175378496 /nfs/dbraw/zinc/37/84/96/175378496.db2.gz PFWUSAQPNYRWSY-MRXNPFEDSA-N 2 0 299.459 1.511 10 0 CDAERP CCC[NH2+][C@@H]1CCCN(C[C@H]2CCC[N@@H+]2CC)C1=O ZINC000071032767 176023627 /nfs/dbraw/zinc/02/36/27/176023627.db2.gz LKYAJTFEZMNEEL-ZIAGYGMSSA-N 2 0 267.417 1.461 10 0 CDAERP CC[NH+](CC)C[C@H](C)N1CC[C@H]([NH2+]C(C)C)C1=O ZINC000071034705 176024822 /nfs/dbraw/zinc/02/48/22/176024822.db2.gz UTAIMKCHNAXIQZ-STQMWFEESA-N 2 0 255.406 1.316 10 0 CDAERP CCC[NH2+][C@H]1CCCN(CC(C)(C)C[NH+](C)C)C1=O ZINC000071036136 176025495 /nfs/dbraw/zinc/02/54/95/176025495.db2.gz LBBFAOPKMQZJIG-ZDUSSCGKSA-N 2 0 269.433 1.565 10 0 CDAERP CC[NH+](CC)CCC[C@@H](C)N1CC[C@H]([NH2+]C2CC2)C1=O ZINC000071038070 176026546 /nfs/dbraw/zinc/02/65/46/176026546.db2.gz YPFLXFBNKHXYTG-HIFRSBDPSA-N 2 0 281.444 1.850 10 0 CDAERP CC(C)[NH2+][C@H]1CCN(CC[N@H+](C)C2CCCC2)C1=O ZINC000071043692 176029713 /nfs/dbraw/zinc/02/97/13/176029713.db2.gz NWRMCGOZIOKIHX-AWEZNQCLSA-N 2 0 267.417 1.460 10 0 CDAERP Cc1[nH]c2ccccc2c1C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071149014 176044440 /nfs/dbraw/zinc/04/44/40/176044440.db2.gz HZSVRWJJDAYIIR-UHFFFAOYSA-N 2 0 286.423 1.813 10 0 CDAERP [NH3+]Cc1cnc(O[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000071178503 176055704 /nfs/dbraw/zinc/05/57/04/176055704.db2.gz JSPOQXMXZRCAAL-HNNXBMFYSA-N 2 0 284.363 1.589 10 0 CDAERP C[C@H](C(=O)Nc1cccc(N)c1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071187681 176060609 /nfs/dbraw/zinc/06/06/09/176060609.db2.gz YQCKHRDMTOBKDO-CHWSQXEVSA-N 2 0 290.411 1.479 10 0 CDAERP CC[C@H]([NH3+])[C@@H](c1ccco1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071187984 176061805 /nfs/dbraw/zinc/06/18/05/176061805.db2.gz XIXURHCYCORPRV-IPYPFGDCSA-N 2 0 265.401 1.942 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)[C@@H](CC[NH3+])c1ccccc1 ZINC000071188237 176062575 /nfs/dbraw/zinc/06/25/75/176062575.db2.gz BDOQWSVXIKUKFK-ZBFHGGJFSA-N 2 0 261.413 1.960 10 0 CDAERP CN(C[C@H]1CC[N@H+](C)C1)[C@@H](C[NH3+])c1cc(F)ccc1F ZINC000071188336 176062693 /nfs/dbraw/zinc/06/26/93/176062693.db2.gz DJLBOFKMULZSEZ-NHYWBVRUSA-N 2 0 283.366 1.848 10 0 CDAERP C[N@H+](CCC[C@@H]1CCCC[NH2+]1)C[C@@H]1CC[NH+](C)C1 ZINC000071190921 176068135 /nfs/dbraw/zinc/06/81/35/176068135.db2.gz FASJDYKYJNDWII-GJZGRUSLSA-N 3 0 253.434 1.792 10 0 CDAERP CC[NH2+][C@H]1CCN(CCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000071198146 176077124 /nfs/dbraw/zinc/07/71/24/176077124.db2.gz MCQWRVIVXZZSOI-GJZGRUSLSA-N 2 0 253.434 1.935 10 0 CDAERP C[N@@H+]1CCCN(Cc2ccc(F)cc2C[NH3+])CC1 ZINC000071250094 176095057 /nfs/dbraw/zinc/09/50/57/176095057.db2.gz CKLOBFZOYUVDKX-UHFFFAOYSA-N 2 0 251.349 1.422 10 0 CDAERP C[N@@H+](Cc1ccc(F)cc1C(N)=[NH2+])CC1CC[NH+](C)CC1 ZINC000071268061 176101822 /nfs/dbraw/zinc/10/18/22/176101822.db2.gz QOGCGHHMCIGYCD-UHFFFAOYSA-N 3 0 292.402 1.883 10 0 CDAERP C[C@H]1CCC[NH2+][C@H]1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000071379410 176143733 /nfs/dbraw/zinc/14/37/33/176143733.db2.gz WZOSGGHGQPJOBG-GXTWGEPZSA-N 2 0 267.417 1.365 10 0 CDAERP CCC[NH+]1CCN([C@]2(C[NH3+])CCO[C@](C)(CC)C2)CC1 ZINC000078621217 177361959 /nfs/dbraw/zinc/36/19/59/177361959.db2.gz ADMMAPQJCVLLTP-HZPDHXFCSA-N 2 0 283.460 1.691 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC1(C[NH2+]CCCF)CCCC1 ZINC001665968681 1173094324 /nfs/dbraw/zinc/09/43/24/1173094324.db2.gz KDNBDYPNGCCZON-UHFFFAOYSA-N 2 0 287.423 1.705 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001666418045 1173134630 /nfs/dbraw/zinc/13/46/30/1173134630.db2.gz XBBZZKADFMLUNG-CABCVRRESA-N 2 0 281.444 1.850 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000659504861 423821722 /nfs/dbraw/zinc/82/17/22/423821722.db2.gz BZRVVZJMDLWCDW-AWEZNQCLSA-N 2 0 296.459 1.822 10 0 CDAERP FC1(F)C[C@H]1OCC[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000662273628 423833101 /nfs/dbraw/zinc/83/31/01/423833101.db2.gz PVUGKGCTIBMQFK-QWHCGFSZSA-N 2 0 274.355 1.732 10 0 CDAERP [NH3+]CCCNC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659510337 423835238 /nfs/dbraw/zinc/83/52/38/423835238.db2.gz OAVCTTWNJMMVIT-GFCCVEGCSA-N 2 0 268.405 1.041 10 0 CDAERP CC(C)CC[C@@H](O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662322719 423953687 /nfs/dbraw/zinc/95/36/87/423953687.db2.gz IMCSMXIQAROLHO-CVEARBPZSA-N 2 0 286.460 1.826 10 0 CDAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CC3CC2(C)C3)CC1 ZINC000662385050 424024282 /nfs/dbraw/zinc/02/42/82/424024282.db2.gz GZXBMZXCTVFWIK-UHFFFAOYSA-N 2 0 265.445 1.887 10 0 CDAERP CN(Cc1ccc2c(c1)C[NH2+]CC2)[C@@H](C[NH3+])C(F)(F)F ZINC000662331581 423966916 /nfs/dbraw/zinc/96/69/16/423966916.db2.gz NUBBJTSUQKZTGC-ZDUSSCGKSA-N 2 0 287.329 1.654 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)NC[C@@H]([NH3+])C(C)C ZINC000652206294 424029989 /nfs/dbraw/zinc/02/99/89/424029989.db2.gz CXUZKPCSFHIJRS-CQSZACIVSA-N 2 0 278.400 1.189 10 0 CDAERP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H](C[NH3+])C(F)(F)F)cc1 ZINC000655518578 424202790 /nfs/dbraw/zinc/20/27/90/424202790.db2.gz HKMDKHHCTZOPHB-XVKPBYJWSA-N 2 0 275.274 1.326 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@@H+](CCN2C[C@@H](C)[NH+](CCO)C[C@H]2C)C1 ZINC000660825002 424255324 /nfs/dbraw/zinc/25/53/24/424255324.db2.gz RTQVLYHFPWDRJS-YYIAUSFCSA-N 2 0 297.487 1.351 10 0 CDAERP O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1([NH2+]C2CC2)CCC1 ZINC000662681407 424305814 /nfs/dbraw/zinc/30/58/14/424305814.db2.gz GOKDKQGAQHHBEB-UONOGXRCSA-N 2 0 277.412 1.404 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653150528 424379809 /nfs/dbraw/zinc/37/98/09/424379809.db2.gz FAAPTGQIQHYMAE-CFVMTHIKSA-N 2 0 281.444 1.754 10 0 CDAERP C[NH2+][C@@H](C)C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000309717860 424344255 /nfs/dbraw/zinc/34/42/55/424344255.db2.gz LIVARAKFGGHUGD-STQMWFEESA-N 2 0 263.385 1.231 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000659618571 424412591 /nfs/dbraw/zinc/41/25/91/424412591.db2.gz CZUKTEJEYIGTPS-RBSFLKMASA-N 2 0 296.459 1.628 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000659617951 424413187 /nfs/dbraw/zinc/41/31/87/424413187.db2.gz BWDNYNIGXOXXMM-REWJHTLYSA-N 2 0 282.432 1.129 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)CN1CCC(C)CC1 ZINC000665273279 424486963 /nfs/dbraw/zinc/48/69/63/424486963.db2.gz SWCOQZMBVHCSRB-GJZGRUSLSA-N 2 0 271.449 1.450 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@](C)([NH3+])c2ccccc2)C1 ZINC000655489186 424506411 /nfs/dbraw/zinc/50/64/11/424506411.db2.gz MXBTWKJLDBLUOC-IVMMDQJWSA-N 2 0 275.396 1.317 10 0 CDAERP C[C@H](CC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1CCC[NH2+]C1 ZINC000655488514 424507179 /nfs/dbraw/zinc/50/71/79/424507179.db2.gz CEAKEUCEIUZENU-TUVASFSCSA-N 2 0 281.444 1.469 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000655489684 424507246 /nfs/dbraw/zinc/50/72/46/424507246.db2.gz ZGSXPYXFQOEMPV-AHDPXTMNSA-N 2 0 279.428 1.364 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C1CC1 ZINC000652523475 424522458 /nfs/dbraw/zinc/52/24/58/424522458.db2.gz QZEFOMHKLDTNKF-HNNXBMFYSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H](C[NH2+][C@H]1CC[C@@H](C)SC1)CN1CC[NH+](C)CC1 ZINC000655709433 424461489 /nfs/dbraw/zinc/46/14/89/424461489.db2.gz ZUKUBLLZISKOFW-KFWWJZLASA-N 2 0 285.501 1.744 10 0 CDAERP CCN(C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@H]1CC[N@H+](CC)C1 ZINC000665255068 424474763 /nfs/dbraw/zinc/47/47/63/424474763.db2.gz HZODYIDZTRWNNH-SOUVJXGZSA-N 2 0 296.459 1.452 10 0 CDAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]CCCF ZINC001667197045 1173243780 /nfs/dbraw/zinc/24/37/80/1173243780.db2.gz GFWIJPPGENJUSX-CHWSQXEVSA-N 2 0 273.396 1.124 10 0 CDAERP CCC[NH+]1CCC(NC(=O)N[C@@H]2CC[NH2+][C@H]2CC)CC1 ZINC000529314696 270921700 /nfs/dbraw/zinc/92/17/00/270921700.db2.gz WGRZXFXQBHPQMF-UONOGXRCSA-N 2 0 282.432 1.301 10 0 CDAERP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H](n1cccn1)C(F)(F)F ZINC000530208665 271150946 /nfs/dbraw/zinc/15/09/46/271150946.db2.gz GOEGBAZRWZWOBS-UTUOFQBUSA-N 2 0 290.333 1.964 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@H](n1cccn1)C(F)(F)F ZINC000530210423 271152649 /nfs/dbraw/zinc/15/26/49/271152649.db2.gz KHQBKJIIQPCZIM-AXFHLTTASA-N 2 0 276.306 1.704 10 0 CDAERP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000530215789 271157196 /nfs/dbraw/zinc/15/71/96/271157196.db2.gz IZZDHJHJWZLRHL-CWRNSKLLSA-N 2 0 273.424 1.819 10 0 CDAERP CC(C)(C[NH2+]C1CCC(C[NH3+])CC1)C(=O)N1CCCC1 ZINC000530224637 271166967 /nfs/dbraw/zinc/16/69/67/271166967.db2.gz SBROYBGLIVDQSW-UHFFFAOYSA-N 2 0 281.444 1.742 10 0 CDAERP COC[C@@H](C)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530247967 271183763 /nfs/dbraw/zinc/18/37/63/271183763.db2.gz FLSIICWXACOTKW-DZGCQCFKSA-N 2 0 270.417 1.359 10 0 CDAERP CN1CC[C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1=O ZINC000424186559 277163413 /nfs/dbraw/zinc/16/34/13/277163413.db2.gz IKGNQWZFFYXXMM-MELADBBJSA-N 2 0 265.401 1.071 10 0 CDAERP C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH2+]C2)[C@@H]1c1ccccc1 ZINC000333652257 277167244 /nfs/dbraw/zinc/16/72/44/277167244.db2.gz VZOUWMOXBOBLDE-ILXRZTDVSA-N 2 0 288.395 1.093 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000418714477 277598947 /nfs/dbraw/zinc/59/89/47/277598947.db2.gz YPLAHRCGNGUORV-ZIAGYGMSSA-N 2 0 296.459 1.630 10 0 CDAERP CC(C)[NH+]1CCN(CCC[NH2+][C@@](C)(CO)C(C)C)CC1 ZINC000352878119 277611056 /nfs/dbraw/zinc/61/10/56/277611056.db2.gz CTTPSZVCHJIEDK-INIZCTEOSA-N 2 0 285.476 1.399 10 0 CDAERP C(CN1CC[NH2+]CC1)[NH2+][C@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000423210141 277716945 /nfs/dbraw/zinc/71/69/45/277716945.db2.gz VXXGFSUIQADFGO-XHSDSOJGSA-N 2 0 281.444 1.077 10 0 CDAERP CC(C)(C)C1CCC([NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000263319163 278301800 /nfs/dbraw/zinc/30/18/00/278301800.db2.gz ZYXVQZROINRHOY-ABXWRUBCSA-N 2 0 254.418 1.761 10 0 CDAERP C[C@@H]([NH2+]CC1(O)CCOCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347922487 278340926 /nfs/dbraw/zinc/34/09/26/278340926.db2.gz CSXLNCCQLIFEJK-CABCVRRESA-N 2 0 296.455 1.771 10 0 CDAERP CC(C)C[C@H](CN[C@@H](C1CC1)[C@H]1C[NH2+]CCO1)[NH+](C)C ZINC000422815443 279164231 /nfs/dbraw/zinc/16/42/31/279164231.db2.gz BRYYFRLHRWYIJX-OAGGEKHMSA-N 2 0 283.460 1.319 10 0 CDAERP O=C1C[C@H](c2ccccc2)[N@H+](CC[C@@H]2CC[NH2+]C2)CCN1 ZINC000420323428 280273645 /nfs/dbraw/zinc/27/36/45/280273645.db2.gz UGLMBPJPPFKTEP-GOEBONIOSA-N 2 0 287.407 1.549 10 0 CDAERP Cc1cc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)ccn1 ZINC000527693653 281170557 /nfs/dbraw/zinc/17/05/57/281170557.db2.gz UPVZWTHTNHKVRO-AWEZNQCLSA-N 2 0 276.428 1.506 10 0 CDAERP O[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCCO1 ZINC000527757401 281177846 /nfs/dbraw/zinc/17/78/46/281177846.db2.gz OZKJEFPGGNRJNP-IRXDYDNUSA-N 2 0 296.455 1.913 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000251714887 288303747 /nfs/dbraw/zinc/30/37/47/288303747.db2.gz JPLDCHVKLVOACT-JKJDWNRSSA-N 2 0 291.439 1.602 10 0 CDAERP Cc1ccccc1[C@H]([C@H](C)NC(=O)NCCC[NH3+])[NH+](C)C ZINC000418174499 281388381 /nfs/dbraw/zinc/38/83/81/281388381.db2.gz FARRYJNRCDLACT-ZFWWWQNUSA-N 2 0 292.427 1.634 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000418597803 288324222 /nfs/dbraw/zinc/32/42/22/288324222.db2.gz PZBYSDXYLZKYKX-RBSFLKMASA-N 2 0 294.443 1.254 10 0 CDAERP CC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1CCC1 ZINC000532581178 282001798 /nfs/dbraw/zinc/00/17/98/282001798.db2.gz ZHDRKTSCWUZEJE-UHFFFAOYSA-N 2 0 279.428 1.604 10 0 CDAERP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000356213858 282006583 /nfs/dbraw/zinc/00/65/83/282006583.db2.gz KEXPSQMVGLHCAT-QWHCGFSZSA-N 2 0 269.433 1.706 10 0 CDAERP C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CCC3(C2)CC[NH2+]CC3)C1 ZINC000334938384 289318934 /nfs/dbraw/zinc/31/89/34/289318934.db2.gz SNAZWBXVAWQHPN-ZIAGYGMSSA-N 2 0 294.443 1.254 10 0 CDAERP CC(C)[C@@H]1C[C@@H]1C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000548185859 289855456 /nfs/dbraw/zinc/85/54/56/289855456.db2.gz QKSCLOWWDVIBEP-KBPBESRZSA-N 2 0 269.433 1.230 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC000553461123 290120661 /nfs/dbraw/zinc/12/06/61/290120661.db2.gz IJOMIVSPFZVFBP-HUUCEWRRSA-N 2 0 281.444 1.709 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000553498550 290122416 /nfs/dbraw/zinc/12/24/16/290122416.db2.gz QCXREILJNGXUBE-KGLIPLIRSA-N 2 0 267.417 1.271 10 0 CDAERP C[C@@H](NCC[N@H+](C)C1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000556951992 290318394 /nfs/dbraw/zinc/31/83/94/290318394.db2.gz LLVJDQKSCMAPHE-KGLIPLIRSA-N 2 0 253.434 1.839 10 0 CDAERP Cc1n[nH]c(C)c1CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000334311552 293004721 /nfs/dbraw/zinc/00/47/21/293004721.db2.gz GRFKJLXUHJJACY-GXFFZTMASA-N 2 0 250.390 1.941 10 0 CDAERP CCC[NH+]1CCC(C[NH2+]C[C@H](O)CSC)CC1 ZINC000562988407 293236139 /nfs/dbraw/zinc/23/61/39/293236139.db2.gz ZEOWMWNQZCANGN-ZDUSSCGKSA-N 2 0 260.447 1.422 10 0 CDAERP [NH3+]CCCCC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000563098302 293273240 /nfs/dbraw/zinc/27/32/40/293273240.db2.gz RTKITJHFWBLORC-UHFFFAOYSA-N 2 0 253.390 1.249 10 0 CDAERP CC(C)(C)[C@H]([NH3+])C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000564579873 293375514 /nfs/dbraw/zinc/37/55/14/293375514.db2.gz FVLUZFKFOQLGEJ-IQLKVPPVSA-N 2 0 253.390 1.090 10 0 CDAERP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000567266624 293749123 /nfs/dbraw/zinc/74/91/23/293749123.db2.gz CMWBMMPKHQRNDE-ZIAGYGMSSA-N 2 0 292.427 1.325 10 0 CDAERP CCC(C)(C)NC(=O)[C@@H](C)N1CC2CCC1(C[NH3+])CC2 ZINC000569000933 294139766 /nfs/dbraw/zinc/13/97/66/294139766.db2.gz QTRYLNCQVSMHBU-VEAWUBTESA-N 2 0 281.444 1.883 10 0 CDAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CCC[C@H](F)C1 ZINC000570389992 294228406 /nfs/dbraw/zinc/22/84/06/294228406.db2.gz IHYKLTYQXBKGNZ-KGLIPLIRSA-N 2 0 287.423 1.467 10 0 CDAERP CCC[N@@H+]1CC[C@H](CN[C@@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000570832411 294319103 /nfs/dbraw/zinc/31/91/03/294319103.db2.gz RTVIZOBSTYWLBL-ZNMIVQPWSA-N 2 0 253.434 1.696 10 0 CDAERP C[NH+](C)CCCCC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000574892257 295071442 /nfs/dbraw/zinc/07/14/42/295071442.db2.gz YYCSMJSNEZLNOC-UHFFFAOYSA-N 2 0 281.444 1.851 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N2CCC[N@@H+](C3CC3)CC2)cc1 ZINC000178747576 295277713 /nfs/dbraw/zinc/27/77/13/295277713.db2.gz TXRFOQDGQUYBEF-UHFFFAOYSA-N 2 0 273.380 1.456 10 0 CDAERP [NH3+][C@H](C(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1)C1CCC1 ZINC000333341578 295327045 /nfs/dbraw/zinc/32/70/45/295327045.db2.gz YEYQLCCDJBEFQH-MJBXVCDLSA-N 2 0 265.401 1.104 10 0 CDAERP C[C@H](C[NH3+])CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000418490558 298525217 /nfs/dbraw/zinc/52/52/17/298525217.db2.gz NEXDOWHEGKJFAS-KGLIPLIRSA-N 2 0 282.432 1.241 10 0 CDAERP C[C@H](CN[C@@H](C)[C@@H]1CC[NH2+]C1)C[NH+]1CCCCC1 ZINC000400422975 298778274 /nfs/dbraw/zinc/77/82/74/298778274.db2.gz XQLHWTDVXFOONU-QLFBSQMISA-N 2 0 253.434 1.696 10 0 CDAERP C[C@H](C[NH2+]CC1=CCCCC1)NC(=O)CCC[NH+](C)C ZINC001669384713 1173543509 /nfs/dbraw/zinc/54/35/09/1173543509.db2.gz JZEFIZCSEAIVLW-CQSZACIVSA-N 2 0 281.444 1.923 10 0 CDAERP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCCC23CCC3)C1 ZINC000334819607 303365460 /nfs/dbraw/zinc/36/54/60/303365460.db2.gz UWWPPTSDOQOYER-CYBMUJFWSA-N 2 0 265.401 1.202 10 0 CDAERP CCC[NH2+]CCCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001670353296 1173674612 /nfs/dbraw/zinc/67/46/12/1173674612.db2.gz UWRVEMZKPGZWIX-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000566857510 316692654 /nfs/dbraw/zinc/69/26/54/316692654.db2.gz RTKABSBQZLFXCY-CYDGBPFRSA-N 2 0 255.406 1.526 10 0 CDAERP CN(CC(C)(C)C[NH3+])C(=O)c1ccccc1CC[NH3+] ZINC000577407428 317326116 /nfs/dbraw/zinc/32/61/16/317326116.db2.gz IZPVSCOISZPVKA-UHFFFAOYSA-N 2 0 263.385 1.245 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCO[C@@H](C[NH2+]CCC(C)C)C1 ZINC001673328118 1173845438 /nfs/dbraw/zinc/84/54/38/1173845438.db2.gz YQMSDSFREPEDLG-HNNXBMFYSA-N 2 0 299.459 1.191 10 0 CDAERP Cc1oncc1C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000181689509 323243021 /nfs/dbraw/zinc/24/30/21/323243021.db2.gz UYKALXZJJWEWGF-LBPRGKRZSA-N 2 0 281.400 1.508 10 0 CDAERP O=C(NC1CC([NH+]2CCCCC2)C1)C1CC[NH2+]CC1 ZINC000581883310 324851365 /nfs/dbraw/zinc/85/13/65/324851365.db2.gz XMTNVQCJZLALQU-UHFFFAOYSA-N 2 0 265.401 1.119 10 0 CDAERP C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1=CC[NH+](C)CC1 ZINC000583880669 325260320 /nfs/dbraw/zinc/26/03/20/325260320.db2.gz GGJWSSKYYBWAFT-CHWSQXEVSA-N 2 0 265.401 1.095 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001267220742 1159186313 /nfs/dbraw/zinc/18/63/13/1159186313.db2.gz FFCXIHLKDUWQJS-ZIAGYGMSSA-N 2 0 267.417 1.460 10 0 CDAERP C[C@H]1[C@H](NC2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000261543131 334196105 /nfs/dbraw/zinc/19/61/05/334196105.db2.gz HMTOXWPCESLGBE-WMLDXEAASA-N 2 0 273.424 1.991 10 0 CDAERP CCC[N@@H+]1CC[C@@H](N(CC)C(=O)C[NH+]2CCCC2)C1 ZINC001481781880 1159945726 /nfs/dbraw/zinc/94/57/26/1159945726.db2.gz IYHAYSTVIJASMC-CQSZACIVSA-N 2 0 267.417 1.415 10 0 CDAERP CCN(CC[NH2+]CCC1CCCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001732811079 1160259500 /nfs/dbraw/zinc/25/95/00/1160259500.db2.gz SGXKKSNIDJZPFY-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP CC1(C)CC(NC(=O)NC/C=C/C[NH3+])CC(C)(C)[NH2+]1 ZINC000668511525 482465953 /nfs/dbraw/zinc/46/59/53/482465953.db2.gz KQXDKHPRPIFCQT-AATRIKPKSA-N 2 0 268.405 1.110 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001272081025 1160574051 /nfs/dbraw/zinc/57/40/51/1160574051.db2.gz WNIAIXMAQBPPFI-UONOGXRCSA-N 2 0 269.433 1.517 10 0 CDAERP CN(C)c1cc[nH+]cc1C(=O)N(C)CCCC[NH+](C)C ZINC000680581296 482512990 /nfs/dbraw/zinc/51/29/90/482512990.db2.gz RIMICQPPYCHLQQ-UHFFFAOYSA-N 2 0 278.400 1.561 10 0 CDAERP CC(C)CC[NH+]1CCC(CNC(=O)NC/C=C/C[NH3+])CC1 ZINC000669522682 482573389 /nfs/dbraw/zinc/57/33/89/482573389.db2.gz LMQNIFTWOTWPAX-ONEGZZNKSA-N 2 0 296.459 1.559 10 0 CDAERP C[C@@H]([NH2+]C1CCN(C(=O)C(C)(C)C)CC1)[C@@H]1CC[NH2+]C1 ZINC000400721482 482598690 /nfs/dbraw/zinc/59/86/90/482598690.db2.gz OPZMGZLBVWLSKT-CHWSQXEVSA-N 2 0 281.444 1.611 10 0 CDAERP CCn1cnnc1CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000671752400 482644812 /nfs/dbraw/zinc/64/48/12/482644812.db2.gz VAGSMICJFFYZRP-BFHYXJOUSA-N 2 0 277.416 1.303 10 0 CDAERP CCC[NH2+][C@H]1C[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001691533710 1160583223 /nfs/dbraw/zinc/58/32/23/1160583223.db2.gz CNBSRVRYWLHLAW-MGPQQGTHSA-N 2 0 267.417 1.223 10 0 CDAERP CCn1nccc1CC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000670081546 482732042 /nfs/dbraw/zinc/73/20/42/482732042.db2.gz CVNGDBVOVHBXOT-UHFFFAOYSA-N 2 0 285.395 1.663 10 0 CDAERP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC/C=C/C[NH3+])C1 ZINC000669365996 482747333 /nfs/dbraw/zinc/74/73/33/482747333.db2.gz AXPCXGFELPLCDB-LRPXVYOUSA-N 2 0 296.459 1.559 10 0 CDAERP CO[C@@H]1CCC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000684383523 482784429 /nfs/dbraw/zinc/78/44/29/482784429.db2.gz BYCLFASRPWBUOD-HZMVEIRTSA-N 2 0 296.455 1.911 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000517899236 482799131 /nfs/dbraw/zinc/79/91/31/482799131.db2.gz BZLZGOFNZXMDQG-INIZCTEOSA-N 2 0 296.459 1.503 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC[N@@H+]1C ZINC000261833143 482933852 /nfs/dbraw/zinc/93/38/52/482933852.db2.gz UIDZKZKKCLSFJP-AAVRWANBSA-N 2 0 267.417 1.303 10 0 CDAERP C[NH+](C)[C@H](CC(=O)N[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000667950221 482969591 /nfs/dbraw/zinc/96/95/91/482969591.db2.gz FEXOIYYUAYYLNB-JKSUJKDBSA-N 2 0 289.423 1.890 10 0 CDAERP O=C1c2ccccc2C(=O)N1CC[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666954311 483017403 /nfs/dbraw/zinc/01/74/03/483017403.db2.gz UIBGAVAPOHYBDS-AWEZNQCLSA-N 2 0 299.374 1.014 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089451257 483076022 /nfs/dbraw/zinc/07/60/22/483076022.db2.gz RXJYMWGRRBEEDS-MGPQQGTHSA-N 2 0 267.417 1.352 10 0 CDAERP CC(C)[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089455918 483080173 /nfs/dbraw/zinc/08/01/73/483080173.db2.gz QFAYREHMNBMHQB-DZGCQCFKSA-N 2 0 281.444 1.693 10 0 CDAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N[C@@H]1CCC[NH2+]C1 ZINC000667148676 483111016 /nfs/dbraw/zinc/11/10/16/483111016.db2.gz MOZIQOPSWHNWNS-LLVKDONJSA-N 2 0 286.339 1.141 10 0 CDAERP C[N@H+](CC1(F)CC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457269 483131880 /nfs/dbraw/zinc/13/18/80/483131880.db2.gz RIXRYRBHSOYWHN-CQSZACIVSA-N 2 0 269.408 1.589 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)Nc1cccc(C[NH3+])c1 ZINC000667732879 483405585 /nfs/dbraw/zinc/40/55/85/483405585.db2.gz VEBUMSKIUIRJIS-GFCCVEGCSA-N 2 0 278.400 1.997 10 0 CDAERP COCCN1CCC([NH2+][C@@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667814968 483445365 /nfs/dbraw/zinc/44/53/65/483445365.db2.gz GCGOCDZWVCVLCY-LSDHHAIUSA-N 2 0 268.401 1.254 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCC[NH+](C)C2)[C@@H](C)C1 ZINC000676539545 483524626 /nfs/dbraw/zinc/52/46/26/483524626.db2.gz BKBMSUXJZNOFIA-KKUMJFAQSA-N 2 0 296.459 1.452 10 0 CDAERP C[NH+]1CCC2(CCC[N@@H+]2Cc2cnn3c2CCC3)CC1 ZINC000668027234 483535557 /nfs/dbraw/zinc/53/55/57/483535557.db2.gz GFBAKBRLJASCBK-UHFFFAOYSA-N 2 0 274.412 1.890 10 0 CDAERP CC(C)[NH+]1CCC(N(C)C(=O)[C@H](C)C2C[NH2+]C2)CC1 ZINC000164188335 519669708 /nfs/dbraw/zinc/66/97/08/519669708.db2.gz FGMROBVEUBGIDS-GFCCVEGCSA-N 2 0 267.417 1.173 10 0 CDAERP CC[NH2+]CC1(CN2CCC[C@@H]2C[NH+](C)C)CCOCC1 ZINC000061653712 519912767 /nfs/dbraw/zinc/91/27/67/519912767.db2.gz ICLCJWUQRDHRJC-OAHLLOKOSA-N 2 0 283.460 1.419 10 0 CDAERP CC[NH+](CC)[C@@H](C)CNC(=O)N(CC[NH+](C)C)C(C)C ZINC000157562788 520823780 /nfs/dbraw/zinc/82/37/80/520823780.db2.gz XTWAASUQVOPFOM-AWEZNQCLSA-N 2 0 286.464 1.698 10 0 CDAERP CC[N@H+](CCOC)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052183285 521134493 /nfs/dbraw/zinc/13/44/93/521134493.db2.gz JBKCWIFQSFOGHW-UHFFFAOYSA-N 2 0 272.433 1.750 10 0 CDAERP CCOC(=O)[C@@](C)([NH3+])CCCN1CC[NH+](CC(C)C)CC1 ZINC000055081153 521152542 /nfs/dbraw/zinc/15/25/42/521152542.db2.gz DINWLGPHBAFEAB-INIZCTEOSA-N 2 0 299.459 1.321 10 0 CDAERP COC(=O)c1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923500027 1161545402 /nfs/dbraw/zinc/54/54/02/1161545402.db2.gz UJLGDLYNYZUBRJ-DOMZBBRYSA-N 2 0 276.380 1.890 10 0 CDAERP C[NH+](C)CCN1CC[NH+](CC2(CO)CCCCC2)CC1 ZINC000061654091 521765892 /nfs/dbraw/zinc/76/58/92/521765892.db2.gz YFJMSKJAKGCOPV-UHFFFAOYSA-N 2 0 283.460 1.108 10 0 CDAERP C[NH2+]C(C)(C)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000061318238 521937552 /nfs/dbraw/zinc/93/75/52/521937552.db2.gz XQHMUDKZBZFRGN-DOMZBBRYSA-N 2 0 269.433 1.611 10 0 CDAERP C[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)CCc2ccccn2)O1 ZINC000052423954 522058170 /nfs/dbraw/zinc/05/81/70/522058170.db2.gz UHKUQYXLIHEQJS-GJZGRUSLSA-N 2 0 263.385 1.323 10 0 CDAERP C[NH2+]Cc1cc(CN2CCC([NH+](C)C)CC2)oc1C ZINC000052477623 522108130 /nfs/dbraw/zinc/10/81/30/522108130.db2.gz KPDMRKLHPVDOCB-UHFFFAOYSA-N 2 0 265.401 1.833 10 0 CDAERP C[NH2+]Cc1cnc(N(C)[C@@H]2CCC[N@H+](C)C2)s1 ZINC000054905559 522146008 /nfs/dbraw/zinc/14/60/08/522146008.db2.gz HWNSPVXVLFQGSC-SNVBAGLBSA-N 2 0 254.403 1.393 10 0 CDAERP CCc1nc(N2CCC[C@@H]2C[NH+](C)C)sc1C[NH2+]C ZINC000061655603 522384734 /nfs/dbraw/zinc/38/47/34/522384734.db2.gz ZZMJYWZHTKGYSS-LLVKDONJSA-N 2 0 282.457 1.955 10 0 CDAERP CC(C)(C)[NH2+]CC1(C[N@@H+]2CCC[C@@H](CO)C2)CCOCC1 ZINC000052180498 518752896 /nfs/dbraw/zinc/75/28/96/518752896.db2.gz VMMDWQZFZYYUJY-OAHLLOKOSA-N 2 0 298.471 1.876 10 0 CDAERP CC(C)C[C@H]([NH3+])C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000236652875 519365046 /nfs/dbraw/zinc/36/50/46/519365046.db2.gz RLOUOBAVPAUPTD-ZFWWWQNUSA-N 2 0 297.443 1.072 10 0 CDAERP CC(C)[N@H+](C)CCCCNC(=O)[C@H]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC000055139075 519614931 /nfs/dbraw/zinc/61/49/31/519614931.db2.gz SMCKKMYDYNJYBT-ILXRZTDVSA-N 2 0 283.460 1.987 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)[C@@H]2[NH2+]CCC[C@@H]2C)CC1 ZINC000055082589 519725007 /nfs/dbraw/zinc/72/50/07/519725007.db2.gz WNHBSFCOTQHNMP-UONOGXRCSA-N 2 0 267.417 1.175 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CC[C@@H](C[N@@H+]2CCC[C@@H]2CN(C)C)O1 ZINC000061654526 519746556 /nfs/dbraw/zinc/74/65/56/519746556.db2.gz JZUWXZXRJOAIHT-ZACQAIPSSA-N 2 0 297.487 1.806 10 0 CDAERP CC(C)OCCN1CC[NH+](CCCCC[NH3+])CC1 ZINC000049259260 519766128 /nfs/dbraw/zinc/76/61/28/519766128.db2.gz VPJMTSPEZFZNAZ-UHFFFAOYSA-N 2 0 257.422 1.158 10 0 CDAERP CCC[NH+]1CCN(c2nc(C)c(C[NH2+]C)s2)CC1 ZINC000054968972 519860306 /nfs/dbraw/zinc/86/03/06/519860306.db2.gz SPADPVDTULJQGD-UHFFFAOYSA-N 2 0 268.430 1.703 10 0 CDAERP CCOCCC[NH2+]C[C@H](C)N1CC[NH+]([C@H](C)CC)CC1 ZINC000055075251 519897093 /nfs/dbraw/zinc/89/70/93/519897093.db2.gz XZTFZFRRKNDXCL-CVEARBPZSA-N 2 0 285.476 1.807 10 0 CDAERP CCC[NH2+]CC[C@H](C)[N@H+](CCOC)[C@@H](C)COC ZINC000052572458 519919265 /nfs/dbraw/zinc/91/92/65/519919265.db2.gz JZHJOEYKJVMWNO-KBPBESRZSA-N 2 0 260.422 1.748 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@@H](CN2CC[NH+](CC(C)C)CC2)O1 ZINC000055082811 519938100 /nfs/dbraw/zinc/93/81/00/519938100.db2.gz PFBSAKRCARYZFC-SJORKVTESA-N 2 0 297.487 1.807 10 0 CDAERP CCC[NH2+]Cc1cc(N2CC[C@H]([NH+](C)C)C2)ccn1 ZINC000062971201 519948406 /nfs/dbraw/zinc/94/84/06/519948406.db2.gz JYHZNHJKGRTWLA-HNNXBMFYSA-N 2 0 262.401 1.722 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000061266107 519960204 /nfs/dbraw/zinc/96/02/04/519960204.db2.gz FLMOXOFGOSLHNU-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[NH2+]Cc1nc(COCC[NH+](C)C)cs1 ZINC000052669354 519967895 /nfs/dbraw/zinc/96/78/95/519967895.db2.gz ZRRYGGRZQSJEQU-UHFFFAOYSA-N 2 0 257.403 1.721 10 0 CDAERP CC[NH2+]Cc1c(C)nn(C)c1N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055068733 519983874 /nfs/dbraw/zinc/98/38/74/519983874.db2.gz RMZIFJHYMJNFMM-ZDUSSCGKSA-N 2 0 293.459 1.759 10 0 CDAERP CC[NH2+]Cc1cccc(N2CC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000062971380 520003458 /nfs/dbraw/zinc/00/34/58/520003458.db2.gz PXOYXMFCFWDDKN-OAHLLOKOSA-N 2 0 274.412 1.866 10 0 CDAERP CC[NH2+]Cc1cnc(N2CC[NH+](C(C)C)CC2)s1 ZINC000054903667 520015386 /nfs/dbraw/zinc/01/53/86/520015386.db2.gz MUSICVMXCRPUML-UHFFFAOYSA-N 2 0 268.430 1.783 10 0 CDAERP CC[NH2+][C@@H](C)C1CC[NH+](CCCC(=O)NC)CC1 ZINC000068815708 520060773 /nfs/dbraw/zinc/06/07/73/520060773.db2.gz HNMATJIODNKLHA-LBPRGKRZSA-N 2 0 255.406 1.223 10 0 CDAERP CCC[NH2+][C@](C)(C[C@@H](C)N1CCC([NH+](C)C)CC1)C(N)=O ZINC000068625311 520111819 /nfs/dbraw/zinc/11/18/19/520111819.db2.gz RFAINWPIUPKOPF-CZUORRHYSA-N 2 0 298.475 1.035 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000061272676 520164209 /nfs/dbraw/zinc/16/42/09/520164209.db2.gz LZXRZGBJZQPEQJ-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CC[NH2+][C@H](CN(C)C1CC[NH+](CC)CC1)C1CC1 ZINC000069074559 520196320 /nfs/dbraw/zinc/19/63/20/520196320.db2.gz RLIYHKGHTZRMLU-OAHLLOKOSA-N 2 0 253.434 1.791 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@H]1CCC[C@H](C)[C@@H]1[NH3+] ZINC000055123411 520617774 /nfs/dbraw/zinc/61/77/74/520617774.db2.gz WIGKJZSKCJYOFW-IHRRRGAJSA-N 2 0 269.433 1.598 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)[C@@]1(CC)CCC[NH2+]C1 ZINC000062860582 520733800 /nfs/dbraw/zinc/73/38/00/520733800.db2.gz XWPSLCUMIDIKTK-ZFWWWQNUSA-N 2 0 269.433 1.613 10 0 CDAERP CCC[C@@]1(C(=O)N(C)CC[NH+]2CCCC2)CCC[NH2+]C1 ZINC000063052728 520940813 /nfs/dbraw/zinc/94/08/13/520940813.db2.gz DLKKJYZPEFCQKH-MRXNPFEDSA-N 2 0 281.444 1.711 10 0 CDAERP CCC[C@@]1(C(=O)N[C@H]2C[NH+]3CCC2CC3)CCC[NH2+]C1 ZINC000062852537 520943290 /nfs/dbraw/zinc/94/32/90/520943290.db2.gz DWXZCIMVQCEMHR-GOEBONIOSA-N 2 0 279.428 1.367 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)[C@H]2[C@@H](C)CCC[C@@H]2[NH3+])CC1 ZINC000055129404 521556426 /nfs/dbraw/zinc/55/64/26/521556426.db2.gz YRLTVEYVCWBUPY-QEJZJMRPSA-N 2 0 281.444 1.693 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@H]1CCC[C@H]([NH3+])[C@@H]1C ZINC000055139749 521655671 /nfs/dbraw/zinc/65/56/71/521655671.db2.gz NFVXMHIKIRDDCG-RDBSUJKOSA-N 2 0 269.433 1.550 10 0 CDAERP CC[NH+]1CCN([C@H](C[NH3+])c2ccc(F)c(C)c2)CC1 ZINC000050545872 521695019 /nfs/dbraw/zinc/69/50/19/521695019.db2.gz BMCIPVSCJZEKRX-OAHLLOKOSA-N 2 0 265.376 1.771 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1[C@@H](C[NH3+])c1cccs1 ZINC000061642084 521843324 /nfs/dbraw/zinc/84/33/24/521843324.db2.gz NTBIPQQILIHVGX-RYUDHWBXSA-N 2 0 253.415 1.774 10 0 CDAERP C[NH2+]C[C@H]1CC[C@@H](CN2CC[NH+](CC(C)C)CC2)O1 ZINC000055082776 522093372 /nfs/dbraw/zinc/09/33/72/522093372.db2.gz MWMNUMUCGAIAIR-CABCVRRESA-N 2 0 269.433 1.027 10 0 CDAERP C[NH2+]Cc1cc(C[N@H+](CCOC)[C@@H](C)COC)c(C)o1 ZINC000052572443 522107117 /nfs/dbraw/zinc/10/71/17/522107117.db2.gz IQPOOCRCVJLXOI-LBPRGKRZSA-N 2 0 284.400 1.791 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(CCCC[C@@](C)([NH3+])C(=O)OC)CC1 ZINC000055071075 522117390 /nfs/dbraw/zinc/11/73/90/522117390.db2.gz XYWUKNRWQKWVAG-GDBMZVCRSA-N 2 0 299.459 1.463 10 0 CDAERP C[NH2+]Cc1sc(N2CC[NH+](C(C)C)CC2)nc1C ZINC000054997429 522167972 /nfs/dbraw/zinc/16/79/72/522167972.db2.gz JESRBTURIFONGG-UHFFFAOYSA-N 2 0 268.430 1.701 10 0 CDAERP C[NH2+][C@H](C)c1cnc(N2CCC[C@@H]2C[NH+](C)C)s1 ZINC000061655468 522454774 /nfs/dbraw/zinc/45/47/74/522454774.db2.gz GCRCWBVLYNTPHX-GHMZBOCLSA-N 2 0 268.430 1.954 10 0 CDAERP CC[C@@H](CC[NH3+])[N@@H+]1CCCN(c2nccn2C)CC1 ZINC000050605379 522496575 /nfs/dbraw/zinc/49/65/75/522496575.db2.gz OWGQCSXHTQVFRY-ZDUSSCGKSA-N 2 0 265.405 1.060 10 0 CDAERP C[N@H+](CC1(C[NH2+]C2CC2)CCOCC1)[C@@H]1CCSC1 ZINC000052181493 522592712 /nfs/dbraw/zinc/59/27/12/522592712.db2.gz UZRWWMDSUROLTK-CQSZACIVSA-N 2 0 284.469 1.973 10 0 CDAERP CN(CC[NH+]1CCCC1)C[C@](C)([NH3+])c1ccccc1 ZINC000063054418 522830149 /nfs/dbraw/zinc/83/01/49/522830149.db2.gz RMBLOXXNQQLQAK-INIZCTEOSA-N 2 0 261.413 1.888 10 0 CDAERP C[N@H+](CCN1CCC[NH2+]CC1)Cc1ccsc1 ZINC000061275012 522830994 /nfs/dbraw/zinc/83/09/94/522830994.db2.gz UCWLFCAQZDWMLC-UHFFFAOYSA-N 2 0 253.415 1.475 10 0 CDAERP C[NH+]1CCC(CNC(=O)[C@H]2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000055162876 523762651 /nfs/dbraw/zinc/76/26/51/523762651.db2.gz OBXBSEXUSKJPEX-ZFWWWQNUSA-N 2 0 281.444 1.600 10 0 CDAERP C[NH+]1CCCC[C@H]1CCNC[C@@H]1CCC[N@@H+](C)C1 ZINC000052206134 523815082 /nfs/dbraw/zinc/81/50/82/523815082.db2.gz ZEAODRZVKDYCMZ-GJZGRUSLSA-N 2 0 253.434 1.792 10 0 CDAERP CN(C(=O)[C@@H]1CCCC[C@H]1[NH3+])C1CC[NH+](C)CC1 ZINC000055086200 523895756 /nfs/dbraw/zinc/89/57/56/523895756.db2.gz BCSFBTNCPPMCMH-CHWSQXEVSA-N 2 0 253.390 1.057 10 0 CDAERP C[NH+]1CCN(CC[NH2+][C@@H]2CCCc3sccc32)CC1 ZINC000061328229 523903487 /nfs/dbraw/zinc/90/34/87/523903487.db2.gz HXIFCUCCVJORBT-CQSZACIVSA-N 2 0 279.453 1.963 10 0 CDAERP CC[C@H](C)[NH+]1CCN([C@]2(C[NH3+])CCSC2)CC1 ZINC000055064659 523959798 /nfs/dbraw/zinc/95/97/98/523959798.db2.gz LBYPIDOEJDTGSM-STQMWFEESA-N 2 0 257.447 1.237 10 0 CDAERP CC[C@H](C)[NH+]1CCN(c2ncccc2C[NH2+]C)CC1 ZINC000055073339 523962078 /nfs/dbraw/zinc/96/20/78/523962078.db2.gz UKQFLDGZCXCQNF-ZDUSSCGKSA-N 2 0 262.401 1.722 10 0 CDAERP C[NH+](C)CC1CCN(Cc2csc(C[NH3+])n2)CC1 ZINC000052515345 524049868 /nfs/dbraw/zinc/04/98/68/524049868.db2.gz QWLDPPDQFCQQKJ-UHFFFAOYSA-N 2 0 268.430 1.375 10 0 CDAERP C[C@@H](CC(=O)NCC[C@H]1CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC000237443013 524371267 /nfs/dbraw/zinc/37/12/67/524371267.db2.gz KNBIJAHRZRQILP-UONOGXRCSA-N 2 0 281.444 1.518 10 0 CDAERP C[C@@H](CCC[NH2+]C1CC1)[NH+]1CCC([NH+](C)C)CC1 ZINC000052477739 524458661 /nfs/dbraw/zinc/45/86/61/524458661.db2.gz MNVZSXJQHCKMHL-ZDUSSCGKSA-N 3 0 253.434 1.933 10 0 CDAERP C[C@@H](C[NH+]1CCCC1)NC(=O)C1CCC(C[NH3+])CC1 ZINC000055162990 524589945 /nfs/dbraw/zinc/58/99/45/524589945.db2.gz OTFRQYHSDAXUCH-HSBZDZAISA-N 2 0 267.417 1.352 10 0 CDAERP Cc1cc(C[NH2+]CCN2CC[NH+](C)CC2)ccc1F ZINC000050545543 524756441 /nfs/dbraw/zinc/75/64/41/524756441.db2.gz IUKWRJRDSXJXNW-UHFFFAOYSA-N 2 0 265.376 1.471 10 0 CDAERP C[C@@H]([NH3+])c1cnc(N(C)C2CC[NH+](C)CC2)s1 ZINC000054864027 525031756 /nfs/dbraw/zinc/03/17/56/525031756.db2.gz RDHHLIUUEOLPNO-SECBINFHSA-N 2 0 254.403 1.693 10 0 CDAERP C[C@@H]1C[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2C)CC[C@@H]1[NH3+] ZINC000055138627 525363169 /nfs/dbraw/zinc/36/31/69/525363169.db2.gz TZJNLVAYLAMYDK-MQYQWHSLSA-N 2 0 267.417 1.350 10 0 CDAERP Cc1nocc1C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000353541155 526688591 /nfs/dbraw/zinc/68/85/91/526688591.db2.gz HFTDVBDBGHXSGF-UHFFFAOYSA-N 2 0 268.405 1.298 10 0 CDAERP O=C(c1ccc2c(c1)C[NH2+]C2)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000156709386 526723546 /nfs/dbraw/zinc/72/35/46/526723546.db2.gz BTXBFZPXNBTCHA-HNNXBMFYSA-N 2 0 271.364 1.210 10 0 CDAERP [NH3+]Cc1cc(CN2CCC[N@@H+]3CCC[C@@H]3C2)ccn1 ZINC000068750554 527246741 /nfs/dbraw/zinc/24/67/41/527246741.db2.gz OKYZSCNFUXQDSR-OAHLLOKOSA-N 2 0 260.385 1.210 10 0 CDAERP [NH3+]Cc1cnc(N2CCC[N@@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000062942221 527261619 /nfs/dbraw/zinc/26/16/19/527261619.db2.gz QCNPKOZKXIEWFC-GFCCVEGCSA-N 2 0 280.803 1.868 10 0 CDAERP Cc1nccc(N2CC[NH+](CCCCC[NH3+])CC2)n1 ZINC000054935427 527346519 /nfs/dbraw/zinc/34/65/19/527346519.db2.gz RDIRJYQCOHKBRF-UHFFFAOYSA-N 2 0 263.389 1.036 10 0 CDAERP CC(C)n1ccc(C[C@@H](C)[NH2+]CCCN2CC[NH2+]CC2)n1 ZINC000414777806 535092508 /nfs/dbraw/zinc/09/25/08/535092508.db2.gz HLHXENHWIJNVLV-OAHLLOKOSA-N 2 0 293.459 1.280 10 0 CDAERP CC[NH+](CC)[C@@H](C)CNC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000187796196 535643592 /nfs/dbraw/zinc/64/35/92/535643592.db2.gz DMDSXZFKVSXYBU-KBPBESRZSA-N 2 0 284.448 1.310 10 0 CDAERP CC(C)(C)[NH2+]CCCNc1ccnn1C1C[NH2+]C1 ZINC000725258218 538452860 /nfs/dbraw/zinc/45/28/60/538452860.db2.gz LESZXWSXHZFSRB-UHFFFAOYSA-N 2 0 251.378 1.218 10 0 CDAERP C[NH+](C)CCOCC[NH2+]Cc1cccc2cnccc21 ZINC000231676257 538522535 /nfs/dbraw/zinc/52/25/35/538522535.db2.gz QZRQGIYJCGWEAX-UHFFFAOYSA-N 2 0 273.380 1.903 10 0 CDAERP CC(C)[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)N1CCOCC1 ZINC000925514590 617421526 /nfs/dbraw/zinc/42/15/26/617421526.db2.gz AGSCYULRMAQGNR-SOUVJXGZSA-N 2 0 281.444 1.203 10 0 CDAERP C[NH+]1CCN(CCC[NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)CC1 ZINC000924577166 617525973 /nfs/dbraw/zinc/52/59/73/617525973.db2.gz DEPZIDVKZXEFFT-ARFHVFGLSA-N 2 0 263.429 1.568 10 0 CDAERP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925614382 617559510 /nfs/dbraw/zinc/55/95/10/617559510.db2.gz INAJJUFPONORIU-WVWOOGAGSA-N 2 0 264.369 1.951 10 0 CDAERP C[C@H]1CCC[N@@H+]1CCN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925624167 617570976 /nfs/dbraw/zinc/57/09/76/617570976.db2.gz VYFNXMKURHOKJF-LJISPDSOSA-N 2 0 265.445 1.837 10 0 CDAERP Cc1noc([C@@H]2OCC[C@@H]2[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)n1 ZINC000925719827 617844150 /nfs/dbraw/zinc/84/41/50/617844150.db2.gz USZJEOGAYZIDMO-QNWHQSFQSA-N 2 0 294.399 1.704 10 0 CDAERP C[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)[C@H]1CCCO1 ZINC000925842701 617875118 /nfs/dbraw/zinc/87/51/18/617875118.db2.gz BXXNYULDSPZNGW-LSDHHAIUSA-N 2 0 269.433 1.219 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000925726410 617961299 /nfs/dbraw/zinc/96/12/99/617961299.db2.gz SMHBOJANRVWYJE-QLWWQQBISA-N 2 0 262.397 1.515 10 0 CDAERP CCNC(=O)C1(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CCC1 ZINC000925650301 617593483 /nfs/dbraw/zinc/59/34/83/617593483.db2.gz NLOFMWBHZICWQN-QWHCGFSZSA-N 2 0 281.444 1.788 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C ZINC000925772509 617644826 /nfs/dbraw/zinc/64/48/26/617644826.db2.gz IITJRDHIBNRBSL-IAAUBURFSA-N 2 0 252.402 1.620 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](O)c2c(F)cccc2F)C12CCC2 ZINC000925773533 617653432 /nfs/dbraw/zinc/65/34/32/617653432.db2.gz ZHUQDADAMBVXBH-YNEHKIRRSA-N 2 0 282.334 1.858 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)C(C)(C)n1cncn1 ZINC000925775975 617668232 /nfs/dbraw/zinc/66/82/32/617668232.db2.gz IUVIPAZWGWZXRS-QWRGUYRKSA-N 2 0 287.358 1.236 10 0 CDAERP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cccc(-n2cnnn2)c1 ZINC000925788656 617714113 /nfs/dbraw/zinc/71/41/13/617714113.db2.gz ABZGSPMDWRBWKZ-BZPMIXESSA-N 2 0 286.383 1.168 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H](NC[C@]2(C)CCC[NH2+]C2)C1 ZINC000925699154 617738010 /nfs/dbraw/zinc/73/80/10/617738010.db2.gz NDLQVXDSUNCBLM-UMVBOHGHSA-N 2 0 253.434 1.872 10 0 CDAERP C[C@@H](C[NH+]1CCC(C)CC1)N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925708198 617797824 /nfs/dbraw/zinc/79/78/24/617797824.db2.gz QTWAELQMPUZXGD-SOUVJXGZSA-N 2 0 265.445 1.966 10 0 CDAERP C1CC2(C1)C[C@H](N[C@@H]1CC[NH2+]C13CCCC3)CC[NH2+]2 ZINC000925711415 617808064 /nfs/dbraw/zinc/80/80/64/617808064.db2.gz YYQVNXVWRWPADP-ZIAGYGMSSA-N 2 0 263.429 1.925 10 0 CDAERP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC000925826927 617837602 /nfs/dbraw/zinc/83/76/02/617837602.db2.gz QLECCHYUWFMYFN-KGLIPLIRSA-N 2 0 282.428 1.286 10 0 CDAERP Cc1noc([C@@H]2OCC[C@@H]2[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)n1 ZINC000925719826 617843877 /nfs/dbraw/zinc/84/38/77/617843877.db2.gz USZJEOGAYZIDMO-MROQNXINSA-N 2 0 294.399 1.704 10 0 CDAERP C([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000925830267 617848578 /nfs/dbraw/zinc/84/85/78/617848578.db2.gz CEBYIAWGWDJBNN-YTLBIWTGSA-N 2 0 294.439 1.691 10 0 CDAERP COC[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)C1CCOCC1 ZINC000925881687 617966162 /nfs/dbraw/zinc/96/61/62/617966162.db2.gz DNEFTMJCVQOLPC-XBFCOCLRSA-N 2 0 256.390 1.145 10 0 CDAERP Cn1nnc2c1C[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)CC2 ZINC000925892437 617986258 /nfs/dbraw/zinc/98/62/58/617986258.db2.gz AYGWXDPNUPGYEX-LSDHHAIUSA-N 2 0 299.422 1.742 10 0 CDAERP Cn1cc(CC[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)c2cccnc21 ZINC000925728471 617986549 /nfs/dbraw/zinc/98/65/49/617986549.db2.gz VNZXPTQVDBEDCV-GJZGRUSLSA-N 2 0 284.407 1.975 10 0 CDAERP C[N@H+](C[C@@H]1C[C@@H]2COC[C@H]2O1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000930459108 618167407 /nfs/dbraw/zinc/16/74/07/618167407.db2.gz DIAAFWFLNNYBSU-YNYPDQIPSA-N 2 0 280.412 1.347 10 0 CDAERP [NH3+][C@H]1C[C@H]([NH2+]CCn2cnc3ccccc32)C12CCC2 ZINC000925507841 618195054 /nfs/dbraw/zinc/19/50/54/618195054.db2.gz NRUQNQFZVLZNHM-GJZGRUSLSA-N 2 0 270.380 1.896 10 0 CDAERP COC(=O)[C@H]1CC12CC[NH+](CCC[NH2+]C1CC1)CC2 ZINC000923373504 618322943 /nfs/dbraw/zinc/32/29/43/618322943.db2.gz QIBITUXGZJFTJL-CYBMUJFWSA-N 2 0 266.385 1.404 10 0 CDAERP COC(=O)[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+]C2)[C@H]([C@H]2CCCO2)C1 ZINC000923555259 618344071 /nfs/dbraw/zinc/34/40/71/618344071.db2.gz SCTQFIOVTZKJIF-APIJFGDWSA-N 2 0 296.411 1.029 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2cnnn2C)CC1 ZINC000924956724 618400384 /nfs/dbraw/zinc/40/03/84/618400384.db2.gz YETZARABLFUHEH-LBPRGKRZSA-N 2 0 265.405 1.588 10 0 CDAERP CC(C)[C@H]1COCC[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000924965230 618474378 /nfs/dbraw/zinc/47/43/78/618474378.db2.gz XGYUUYOYYRDFCU-CABCVRRESA-N 2 0 254.418 1.979 10 0 CDAERP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCOC23CCOCC3)C1 ZINC000925009450 618764007 /nfs/dbraw/zinc/76/40/07/618764007.db2.gz HJYPCKUOGHIJMB-UONOGXRCSA-N 2 0 268.401 1.256 10 0 CDAERP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000928434463 619076188 /nfs/dbraw/zinc/07/61/88/619076188.db2.gz DTVPPJBTQQSURQ-UTUOFQBUSA-N 2 0 255.406 1.362 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)c2cnn(-c3ccncc3)c2)CC[N@@H+]1C ZINC000928438386 619080932 /nfs/dbraw/zinc/08/09/32/619080932.db2.gz ZPSBEWFWLXIXRQ-RISCZKNCSA-N 2 0 285.351 1.090 10 0 CDAERP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C1 ZINC000902796559 625418318 /nfs/dbraw/zinc/41/83/18/625418318.db2.gz PCFYIKBDTFYSPM-OSLXHZNNSA-N 2 0 264.413 1.731 10 0 CDAERP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000925333199 621580394 /nfs/dbraw/zinc/58/03/94/621580394.db2.gz UQKNJZKOQZOVPD-GZBFAFLISA-N 2 0 296.459 1.451 10 0 CDAERP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccns1 ZINC000924628087 621597372 /nfs/dbraw/zinc/59/73/72/621597372.db2.gz HHMQFTXVFIOMLP-LBPRGKRZSA-N 2 0 282.457 1.820 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCO[C@@H]2CCOC2)[C@@H]2CCC[C@@H]21 ZINC000927082244 621691244 /nfs/dbraw/zinc/69/12/44/621691244.db2.gz VYDVCFTYGVWGFD-QPSCCSFWSA-N 2 0 268.401 1.254 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C12CCC2 ZINC000898832075 621891658 /nfs/dbraw/zinc/89/16/58/621891658.db2.gz VYAWJONSGONAMI-CABCVRRESA-N 2 0 298.390 1.937 10 0 CDAERP CCN1CC[NH+](C[C@@H](C)CNC(=[NH2+])N[C@@H](C)C2CC2)CC1 ZINC000899264278 622128212 /nfs/dbraw/zinc/12/82/12/622128212.db2.gz AEEFKQFKKREGFE-KBPBESRZSA-N 2 0 295.475 1.172 10 0 CDAERP C[C@@H](NC(=[NH2+])NC[C@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000899266355 622130685 /nfs/dbraw/zinc/13/06/85/622130685.db2.gz SHUQRNHUTRGDPD-GHMZBOCLSA-N 2 0 250.390 1.383 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])N[C@H](C)C1CC1 ZINC000899267878 622145541 /nfs/dbraw/zinc/14/55/41/622145541.db2.gz WZFULOJBUOSYRI-YPMHNXCESA-N 2 0 252.406 1.773 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)C[NH+]1CCCC1 ZINC000900273395 622860120 /nfs/dbraw/zinc/86/01/20/622860120.db2.gz XSXACHRKHWJGBK-BZUAXINKSA-N 2 0 293.455 1.851 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC000900524257 623156236 /nfs/dbraw/zinc/15/62/36/623156236.db2.gz XYWFJPWJEBJZQT-RRFJBIMHSA-N 2 0 281.444 1.850 10 0 CDAERP C(C[NH2+][C@H]1CCO[C@@]12CCOC2)C[NH+]1CCCCC1 ZINC000903060201 625810650 /nfs/dbraw/zinc/81/06/50/625810650.db2.gz SYZGOVTULYWVAF-LSDHHAIUSA-N 2 0 268.401 1.400 10 0 CDAERP C(CC[NH2+][C@@H]1CCO[C@@]12CCOC2)CC[NH+]1CCCC1 ZINC000903177052 625879822 /nfs/dbraw/zinc/87/98/22/625879822.db2.gz GYUBMYHHJWRIEF-HZPDHXFCSA-N 2 0 282.428 1.790 10 0 CDAERP CN1C[C@@H](CC[NH2+]C2CC[NH+](CC3CC3)CC2)CC1=O ZINC000903220346 625916884 /nfs/dbraw/zinc/91/68/84/625916884.db2.gz UWHMVBAORAHXMD-AWEZNQCLSA-N 2 0 279.428 1.319 10 0 CDAERP C[C@@H]1[C@@H](NC2CC[NH+](C(C)(C)C)CC2)CC[N@@H+]1C ZINC000903302182 625961215 /nfs/dbraw/zinc/96/12/15/625961215.db2.gz ZJLRROQYUTYRTK-OCCSQVGLSA-N 2 0 253.434 1.932 10 0 CDAERP Cc1ccc(NC(=O)C[N@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000903426812 625988982 /nfs/dbraw/zinc/98/89/82/625988982.db2.gz OMMNGGXZAJGADY-KGLIPLIRSA-N 2 0 275.396 1.993 10 0 CDAERP NC(=O)[C@H]1c2ccccc2CC[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC000903433314 625990839 /nfs/dbraw/zinc/99/08/39/625990839.db2.gz ZNBRNZBYUJYCPN-NJZAAPMLSA-N 2 0 273.380 1.199 10 0 CDAERP CCCNC(=O)[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903434489 625991056 /nfs/dbraw/zinc/99/10/56/625991056.db2.gz FUTHXMCOIQGJLE-RDBSUJKOSA-N 2 0 267.417 1.080 10 0 CDAERP C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CCN(c2ccccc2)C1=O ZINC000903434482 625991319 /nfs/dbraw/zinc/99/13/19/625991319.db2.gz FPEKIEZSSLELBN-YCPHGPKFSA-N 2 0 287.407 1.851 10 0 CDAERP COCCCOC1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903439105 625991995 /nfs/dbraw/zinc/99/19/95/625991995.db2.gz DKRHZOUZCQFNFM-KGLIPLIRSA-N 2 0 270.417 1.631 10 0 CDAERP Cc1cccc(C[NH+]2CCN(C[C@@H]3C[NH2+]C[C@H]3C)CC2)c1 ZINC000903441519 625992885 /nfs/dbraw/zinc/99/28/85/625992885.db2.gz WBIDSCWRUFNXNW-AEFFLSMTSA-N 2 0 287.451 1.968 10 0 CDAERP CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903458871 625994584 /nfs/dbraw/zinc/99/45/84/625994584.db2.gz MESVMVVOHMEJOQ-BARDWOONSA-N 2 0 297.443 1.689 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000903459520 625995140 /nfs/dbraw/zinc/99/51/40/625995140.db2.gz UZMPHRXYSBQVAJ-IWCQGFGOSA-N 2 0 273.424 1.877 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN(CCC[NH3+])CC1CCCC1 ZINC000903452513 626000679 /nfs/dbraw/zinc/00/06/79/626000679.db2.gz OIJBDJHNEATBOA-HIFRSBDPSA-N 2 0 253.434 1.683 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000903453776 626001391 /nfs/dbraw/zinc/00/13/91/626001391.db2.gz LCXNTUZVRPTBAF-NWANDNLSSA-N 3 0 251.418 1.578 10 0 CDAERP COC(=O)[C@H](c1ccccc1F)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903498784 626008664 /nfs/dbraw/zinc/00/86/64/626008664.db2.gz DTEMGAYIZDOJAQ-JMSVASOKSA-N 2 0 294.370 1.957 10 0 CDAERP CC(C)([NH3+])c1noc(CN[C@H]2CC[NH2+]C23CCCC3)n1 ZINC000903487500 626009994 /nfs/dbraw/zinc/00/99/94/626009994.db2.gz DLOSGKRRRMOODO-JTQLQIEISA-N 2 0 279.388 1.028 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ccc(C)nc1)C2 ZINC000903494552 626011284 /nfs/dbraw/zinc/01/12/84/626011284.db2.gz JNTPIDGHYZTIFB-LZWOXQAQSA-N 2 0 289.379 1.102 10 0 CDAERP C[C@@H]1C[N@H+](Cc2noc3c2CCCC3)C[C@H]1CC[NH3+] ZINC000903496772 626012235 /nfs/dbraw/zinc/01/22/35/626012235.db2.gz CGVGPFZDRNUKNX-VXGBXAGGSA-N 2 0 263.385 1.970 10 0 CDAERP C[C@@]1([C@@H]2CCC[N@H+](CCCCCC[NH3+])C2)COC(=O)N1 ZINC000903561754 626019654 /nfs/dbraw/zinc/01/96/54/626019654.db2.gz MFWUXDJPLGDVHX-HIFRSBDPSA-N 2 0 283.416 1.716 10 0 CDAERP CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](C[C@H]3CCC[NH2+]C3)C[C@@H]21 ZINC000903563407 626020387 /nfs/dbraw/zinc/02/03/87/626020387.db2.gz BMQMSEZNZGHBCG-RFQIPJPRSA-N 2 0 266.385 1.117 10 0 CDAERP C[NH2+]CCN(C[C@H](C[NH3+])c1ccc(OC)cc1)C(C)C ZINC000903573810 626028996 /nfs/dbraw/zinc/02/89/96/626028996.db2.gz LJNBVNLBJDCTAR-HNNXBMFYSA-N 2 0 279.428 1.667 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCSC[C@@H]2C)cnn1C ZINC000903892057 626127155 /nfs/dbraw/zinc/12/71/55/626127155.db2.gz GGSLAJPEGZSRLG-AAEUAGOBSA-N 2 0 282.457 1.283 10 0 CDAERP C[C@@H](C1CC1)[N@H+](C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903884128 626132393 /nfs/dbraw/zinc/13/23/93/626132393.db2.gz SIZDQFRFTYIJFN-AAEUAGOBSA-N 2 0 263.389 1.433 10 0 CDAERP CC(C)C[N@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000903884030 626132619 /nfs/dbraw/zinc/13/26/19/626132619.db2.gz PRGRLSRUGQDQGG-CQSZACIVSA-N 2 0 277.416 1.823 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])CN2C[C@H](C)OC(C)(C)C2)cnn1C ZINC000903919031 626146538 /nfs/dbraw/zinc/14/65/38/626146538.db2.gz KMNKHFCQAYYLMR-JSGCOSHPSA-N 2 0 294.443 1.345 10 0 CDAERP CC[NH+](CC)CCCNCc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903928387 626149774 /nfs/dbraw/zinc/14/97/74/626149774.db2.gz YJVJBJZMMFFYNI-CQSZACIVSA-N 2 0 294.447 1.024 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[NH2+][C@@]23C[C@@H]2COC3(C)C)cnn1C ZINC000903935105 626153288 /nfs/dbraw/zinc/15/32/88/626153288.db2.gz MXNQAMPTZSHDMH-XPKDYRNWSA-N 2 0 292.427 1.003 10 0 CDAERP CC1(C)C[C@H](O)C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903938048 626155585 /nfs/dbraw/zinc/15/55/85/626155585.db2.gz YIBOXYOYHGEDMC-GSPSYOTPSA-N 2 0 252.402 1.610 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CCN(C[C@@H]([NH3+])CC(F)F)C1 ZINC000903938059 626155943 /nfs/dbraw/zinc/15/59/43/626155943.db2.gz YSOAGNCWTXAVMV-GXFFZTMASA-N 2 0 263.376 1.666 10 0 CDAERP C[C@@H]1C[C@@H](C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)CC[NH2+]1 ZINC000903958249 626158159 /nfs/dbraw/zinc/15/81/59/626158159.db2.gz XVWQZIVPFXZLRQ-GRYCIOLGSA-N 3 0 261.360 1.209 10 0 CDAERP Nc1cc[nH+]c(CNC2CC[NH+](CC3CC3)CC2)c1 ZINC000903950150 626164443 /nfs/dbraw/zinc/16/44/43/626164443.db2.gz IVYVJMSPAKVAFC-UHFFFAOYSA-N 2 0 260.385 1.628 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)C[C@H]1C ZINC000903968235 626172573 /nfs/dbraw/zinc/17/25/73/626172573.db2.gz RWLWHPOBVPMTCK-UXXRCYHCSA-N 2 0 282.428 1.799 10 0 CDAERP C1C[C@H]2CC(c3noc([C@@H]4[C@@H]5CC[NH2+]C[C@@H]54)n3)C[C@@H]1[NH2+]2 ZINC000905311458 626743031 /nfs/dbraw/zinc/74/30/31/626743031.db2.gz ZWDQVOXKLKKOHX-SNSJFSNWSA-N 2 0 274.368 1.391 10 0 CDAERP [NH3+]C1(c2nc(CC3CC[NH2+]CC3)no2)CCCCC1 ZINC000905316771 626745607 /nfs/dbraw/zinc/74/56/07/626745607.db2.gz DCGHYJPZDLBIBK-UHFFFAOYSA-N 2 0 264.373 1.730 10 0 CDAERP c1ccc2c(c1)C[NH2+]C[C@@H]2c1nc(CC2CC[NH2+]CC2)no1 ZINC000905308515 626758029 /nfs/dbraw/zinc/75/80/29/626758029.db2.gz KZAZYNXHRUXSIY-HNNXBMFYSA-N 2 0 298.390 1.847 10 0 CDAERP C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)[C@@H]2C1 ZINC000911301740 629230953 /nfs/dbraw/zinc/23/09/53/629230953.db2.gz FBUFVKVNEPRXAU-CAOSSQGBSA-N 2 0 291.439 1.556 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCn3cncc32)C1 ZINC000912585521 630079826 /nfs/dbraw/zinc/07/98/26/630079826.db2.gz XRWMRONGSOYWFY-QWHCGFSZSA-N 2 0 276.384 1.566 10 0 CDAERP C[C@H](C(=O)N1[C@@H](CC[NH+](C)C)CCC[C@@H]1C)[NH+](C)C ZINC000912648038 630125025 /nfs/dbraw/zinc/12/50/25/630125025.db2.gz CSLYYJVKRJCAJW-BFHYXJOUSA-N 2 0 269.433 1.658 10 0 CDAERP C[C@H](C(=O)N1CC[C@@H]([NH+]2CCC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000912917906 630286328 /nfs/dbraw/zinc/28/63/28/630286328.db2.gz PSMJYAYJUMTUBT-LXTVHRRPSA-N 2 0 279.428 1.554 10 0 CDAERP CCC(C)(C)[NH2+][C@H](C)C(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000913280945 630424401 /nfs/dbraw/zinc/42/44/01/630424401.db2.gz ISFDNJGKQDRBJJ-COXVUDFISA-N 2 0 295.471 1.953 10 0 CDAERP CCC(C)(C)[NH2+][C@H](C)C(=O)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000913280948 630424403 /nfs/dbraw/zinc/42/44/03/630424403.db2.gz ISFDNJGKQDRBJJ-XYPHTWIQSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC000913881164 630862791 /nfs/dbraw/zinc/86/27/91/630862791.db2.gz NUZRJPNPHXVULN-JSGCOSHPSA-N 2 0 282.432 1.251 10 0 CDAERP CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC000913990455 630942782 /nfs/dbraw/zinc/94/27/82/630942782.db2.gz MAQSVUXQBNQMRO-ZFWWWQNUSA-N 2 0 296.459 1.499 10 0 CDAERP CC(C)=CC[N@@H+](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001266314113 1158485374 /nfs/dbraw/zinc/48/53/74/1158485374.db2.gz SJZKLCLRQYDOMU-UHFFFAOYSA-N 2 0 267.417 1.342 10 0 CDAERP COCCC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001700184051 1158930135 /nfs/dbraw/zinc/93/01/35/1158930135.db2.gz IMVSEOILAWMWFO-HNNXBMFYSA-N 2 0 297.443 1.089 10 0 CDAERP CCCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001266994145 1159073478 /nfs/dbraw/zinc/07/34/78/1159073478.db2.gz JVBZGDQEEBHGNJ-KGLIPLIRSA-N 2 0 269.433 1.755 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001670712880 1158715402 /nfs/dbraw/zinc/71/54/02/1158715402.db2.gz DPWIGJJANUJCFE-FZZYSBJUSA-N 2 0 293.455 1.875 10 0 CDAERP CCOCCC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001267281807 1159234510 /nfs/dbraw/zinc/23/45/10/1159234510.db2.gz LXMGDZWLCLEGRK-OAHLLOKOSA-N 2 0 297.443 1.089 10 0 CDAERP CCCC[NH2+]C/C=C\CNC(=O)C1CC[NH+](C)CC1 ZINC001497673117 1159951740 /nfs/dbraw/zinc/95/17/40/1159951740.db2.gz DSOIZYQNLHPEBE-WAYWQWQTSA-N 2 0 267.417 1.390 10 0 CDAERP CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001268556917 1159969663 /nfs/dbraw/zinc/96/96/63/1159969663.db2.gz PSKVLBIBSPXZDO-YJQVQVLHSA-N 2 0 279.428 1.675 10 0 CDAERP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@H](O)C2CC2)cc1 ZINC000809750924 1163085465 /nfs/dbraw/zinc/08/54/65/1163085465.db2.gz BWLVTMPITZHFEE-INIZCTEOSA-N 2 0 262.397 1.951 10 0 CDAERP O=C(NCCC[NH+]1CCCC1)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000227232398 1161420475 /nfs/dbraw/zinc/42/04/75/1161420475.db2.gz NEWVNFJBOWZJSK-JYJNAYRXSA-N 2 0 293.455 1.899 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+]1CCC[C@@H](C)C1 ZINC000468105594 1164337529 /nfs/dbraw/zinc/33/75/29/1164337529.db2.gz BMEKDSGWROGGTP-UGUYLWEFSA-N 2 0 295.471 1.953 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cn(C3CC3)cn2)CC1 ZINC000865414177 1164643107 /nfs/dbraw/zinc/64/31/07/1164643107.db2.gz LRVGTNVUIBYMOC-CQSZACIVSA-N 2 0 291.443 1.334 10 0 CDAERP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](CCC2CCC2)C1 ZINC000866711359 1164813700 /nfs/dbraw/zinc/81/37/00/1164813700.db2.gz IZWMAGYXUXQJDA-MELADBBJSA-N 2 0 279.384 1.044 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000872306694 1165414138 /nfs/dbraw/zinc/41/41/38/1165414138.db2.gz SKPNZWIWLGTIKP-LJIGWXMPSA-N 2 0 291.439 1.352 10 0 CDAERP [NH3+]C[C@H]1CCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)c2ccccc21 ZINC000872311784 1165415181 /nfs/dbraw/zinc/41/51/81/1165415181.db2.gz AODNFAJSLJCCCM-FJZAXULXSA-N 2 0 285.391 1.593 10 0 CDAERP COC[C@@H](C[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1)C(C)C ZINC001620628458 1165659693 /nfs/dbraw/zinc/65/96/93/1165659693.db2.gz NWFUZUMNDNVFKQ-KFWWJZLASA-N 2 0 254.418 1.789 10 0 CDAERP C[NH+](C)C(C)(C)CNC(=O)C1([NH+](C)C)CCCC1 ZINC001623904496 1165802893 /nfs/dbraw/zinc/80/28/93/1165802893.db2.gz NCQXVFSYRKFGKR-UHFFFAOYSA-N 2 0 255.406 1.317 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC001630756343 1166229586 /nfs/dbraw/zinc/22/95/86/1166229586.db2.gz XSNDIWUYCMDQER-CHWSQXEVSA-N 2 0 267.417 1.175 10 0 CDAERP C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001640222579 1167007064 /nfs/dbraw/zinc/00/70/64/1167007064.db2.gz NEJTUXSTGLFDIX-YNEHKIRRSA-N 2 0 255.406 1.173 10 0 CDAERP CC[C@@H](F)C[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001566456210 1168284302 /nfs/dbraw/zinc/28/43/02/1168284302.db2.gz CXCHEUKLVQSMCQ-MGPQQGTHSA-N 2 0 287.423 1.513 10 0 CDAERP CCCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001566682515 1168387323 /nfs/dbraw/zinc/38/73/23/1168387323.db2.gz CEYIMNDLZLFQFE-ZDUSSCGKSA-N 2 0 255.406 1.317 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NC[C@@]23CC[NH+](C2)CCC3)CC[N@@H+]1C ZINC001649326433 1169202994 /nfs/dbraw/zinc/20/29/94/1169202994.db2.gz FFVRFRPIIBBIGU-OFQRWUPVSA-N 2 0 279.428 1.319 10 0 CDAERP CCN(CC[NH2+]CC1CC(C)C1)C(=O)C12CC[NH+](CC1)C2 ZINC001568791214 1169476222 /nfs/dbraw/zinc/47/62/22/1169476222.db2.gz AKWZPNPOLKAASL-UHFFFAOYSA-N 2 0 293.455 1.566 10 0 CDAERP CC(C)CC[NH2+]CC1CC(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001570572065 1170193088 /nfs/dbraw/zinc/19/30/88/1170193088.db2.gz ROUUXEZDVGBVGN-FHERZECASA-N 2 0 295.471 1.859 10 0 CDAERP CCCCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001571388722 1170405676 /nfs/dbraw/zinc/40/56/76/1170405676.db2.gz WMXNJIKNCVOSKM-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CCCC1CCC1 ZINC001662387216 1172540098 /nfs/dbraw/zinc/54/00/98/1172540098.db2.gz ALWHXDDBSIEWTJ-CQSZACIVSA-N 2 0 293.455 1.757 10 0 CDAERP O=C(NC/C=C\C[NH2+]CCF)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001668883130 1173475994 /nfs/dbraw/zinc/47/59/94/1173475994.db2.gz NQDVNHHMVGPCOI-FGXVQYDJSA-N 2 0 283.391 1.235 10 0 CDAERP COCC[NH2+]C/C=C\CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001669075571 1173502645 /nfs/dbraw/zinc/50/26/45/1173502645.db2.gz UULKGVVWNJRMRE-IYKSTZQJSA-N 2 0 297.443 1.159 10 0 CDAERP CCCCC[NH2+]C/C=C\CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001669160874 1173511757 /nfs/dbraw/zinc/51/17/57/1173511757.db2.gz CPAVSQLMMIHZHB-OSJSJHBBSA-N 2 0 293.455 1.925 10 0 CDAERP CC(C)(C(=O)N1CCC[C@H](C[NH2+]CCF)C1)[NH+]1CCCC1 ZINC001690418138 1175466177 /nfs/dbraw/zinc/46/61/77/1175466177.db2.gz LBCDFPALZCEVJG-CQSZACIVSA-N 2 0 299.434 1.659 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC2CCC([NH2+]CCCF)CC2)C1 ZINC001690542773 1175490937 /nfs/dbraw/zinc/49/09/37/1175490937.db2.gz CFKFMMDZLQEBBZ-WLYUNCDWSA-N 2 0 299.434 1.705 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]CCCF)CC[N@@H+]1C ZINC001690577934 1175510285 /nfs/dbraw/zinc/51/02/85/1175510285.db2.gz WPOXIYMYRWBOIT-FRRDWIJNSA-N 2 0 273.396 1.171 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1CCCOC ZINC001691954835 1175656926 /nfs/dbraw/zinc/65/69/26/1175656926.db2.gz XOAVAKMDWVCRAF-RRFJBIMHSA-N 2 0 297.443 1.086 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CCCCC[C@H]([NH2+]CCCF)C2)C1 ZINC001692334846 1175739576 /nfs/dbraw/zinc/73/95/76/1175739576.db2.gz ZRAFQQUIVQWYMF-CABCVRRESA-N 2 0 299.434 1.659 10 0 CDAERP CCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H]1C ZINC001692348149 1175745966 /nfs/dbraw/zinc/74/59/66/1175745966.db2.gz LJOJGNQLRRLQHZ-ILXRZTDVSA-N 2 0 281.444 1.850 10 0 CDAERP CCCCC[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001698845703 1175960796 /nfs/dbraw/zinc/96/07/96/1175960796.db2.gz NLTQDICQRSNZJQ-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)CC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001698983020 1176006755 /nfs/dbraw/zinc/00/67/55/1176006755.db2.gz DHZHSELOENQXCU-AWEZNQCLSA-N 2 0 269.433 1.517 10 0 CDAERP CC(C)[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001699302843 1176209572 /nfs/dbraw/zinc/20/95/72/1176209572.db2.gz PKOPQVFBVBQDQL-BEVHLOIGSA-N 2 0 267.417 1.387 10 0 CDAERP C[C@@H](C[NH2+]CCC(F)(F)F)NC(=O)C[NH+]1CCCC1 ZINC001699431518 1176390680 /nfs/dbraw/zinc/39/06/80/1176390680.db2.gz MEJYGRQRXVXGIB-JTQLQIEISA-N 2 0 281.322 1.129 10 0 CDAERP CCC[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001699513604 1176456157 /nfs/dbraw/zinc/45/61/57/1176456157.db2.gz ZXLGNQCWLPTQSF-CHWSQXEVSA-N 2 0 255.406 1.175 10 0 CDAERP O=C(N[C@@H](C[NH2+]CCCF)C1CC1)[C@@]12CC[N@H+](C1)CCC2 ZINC001699597738 1176494126 /nfs/dbraw/zinc/49/41/26/1176494126.db2.gz CDORLGLMXNUANM-HOCLYGCPSA-N 2 0 297.418 1.316 10 0 CDAERP CCCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001700090210 1176744185 /nfs/dbraw/zinc/74/41/85/1176744185.db2.gz XPAKWDLSFTVKKN-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CCOCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001700318691 1176846177 /nfs/dbraw/zinc/84/61/77/1176846177.db2.gz VNFBOCLMJHPLLB-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001700420340 1176918833 /nfs/dbraw/zinc/91/88/33/1176918833.db2.gz YFOUDBGFZSBDNP-NWDGAFQWSA-N 2 0 255.406 1.221 10 0 CDAERP C[NH+](C)CC1(C(=O)NC2(C[NH2+]CCF)CCCCC2)CC1 ZINC001700513051 1176989605 /nfs/dbraw/zinc/98/96/05/1176989605.db2.gz PBLXSPJZGJMJOX-UHFFFAOYSA-N 2 0 299.434 1.706 10 0 CDAERP CC[NH2+][C@H]1CN(C(=O)CCCC[NH+](C)C)CC1(C)C ZINC001700943916 1177203697 /nfs/dbraw/zinc/20/36/97/1177203697.db2.gz BVIHUYAFGYJCKI-ZDUSSCGKSA-N 2 0 269.433 1.565 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCCF)C(C)(C)C ZINC001700983102 1177224802 /nfs/dbraw/zinc/22/48/02/1177224802.db2.gz GFGFZGOXWYXEFQ-QWHCGFSZSA-N 2 0 287.423 1.561 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001713362861 1178520725 /nfs/dbraw/zinc/52/07/25/1178520725.db2.gz HUMNLKPNZDSCJX-UONOGXRCSA-N 2 0 267.417 1.176 10 0 CDAERP CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001713363220 1178520945 /nfs/dbraw/zinc/52/09/45/1178520945.db2.gz OZIKISDJURXEFV-XETQRACLSA-N 2 0 293.455 1.733 10 0 CDAERP CC[C@H](C(=O)N(C)CC[NH2+]CC1CCCC1)[NH+](C)C ZINC001713655467 1178698204 /nfs/dbraw/zinc/69/82/04/1178698204.db2.gz FMPSWVFYDPHKSQ-CQSZACIVSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CCCCCF)C2)CC[N@@H+]1C ZINC001713901012 1178831425 /nfs/dbraw/zinc/83/14/25/1178831425.db2.gz JKRNVUSZKWISRW-UKRRQHHQSA-N 2 0 299.434 1.514 10 0 CDAERP CC/C=C/CC[NH2+][C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001714242075 1179041928 /nfs/dbraw/zinc/04/19/28/1179041928.db2.gz UXYVZZNSWZUGSM-UZYOAWRESA-N 2 0 281.444 1.921 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]CCF)cc1 ZINC001714317781 1179082662 /nfs/dbraw/zinc/08/26/62/1179082662.db2.gz MIPQBGJZQYBREC-HNNXBMFYSA-N 2 0 293.386 1.456 10 0 CDAERP CC(C)[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001714487873 1179166349 /nfs/dbraw/zinc/16/63/49/1179166349.db2.gz XSISUQAFYIQASA-IHRRRGAJSA-N 2 0 269.433 1.610 10 0 CDAERP COCCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001715025374 1179516996 /nfs/dbraw/zinc/51/69/96/1179516996.db2.gz HIGLEGUTNSKQDH-LSDHHAIUSA-N 2 0 297.443 1.040 10 0 CDAERP CC(C)C[NH2+]CC[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001715151401 1179565246 /nfs/dbraw/zinc/56/52/46/1179565246.db2.gz JNLFHPTUWASMCF-HNNXBMFYSA-N 2 0 283.460 1.812 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC(CC[NH2+]CC2CC2)CC1 ZINC001715179947 1179569980 /nfs/dbraw/zinc/56/99/80/1179569980.db2.gz QULYKLCWCLKRHB-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001715367704 1179644820 /nfs/dbraw/zinc/64/48/20/1179644820.db2.gz XOFWIYBWPPDAHS-CABCVRRESA-N 2 0 281.444 1.731 10 0 CDAERP CCCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001715605855 1179731098 /nfs/dbraw/zinc/73/10/98/1179731098.db2.gz QFBRJOMRJZENEZ-GJZGRUSLSA-N 2 0 299.459 1.116 10 0 CDAERP C[C@@H](CC[NH2+]CC1CC1)NC(=O)C1([NH+](C)C)CCC1 ZINC001715656906 1179754308 /nfs/dbraw/zinc/75/43/08/1179754308.db2.gz RPGWGAUNIUFOHE-LBPRGKRZSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@@H](CC[NH2+]C/C=C/Cl)NC(=O)C1CC[NH+](C)CC1 ZINC001715679499 1179762607 /nfs/dbraw/zinc/76/26/07/1179762607.db2.gz OCQDCRSOYSRDIJ-QBODLPLBSA-N 2 0 287.835 1.565 10 0 CDAERP CCCCC[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001715734673 1179785215 /nfs/dbraw/zinc/78/52/15/1179785215.db2.gz ILUVAKGFUHOXNC-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP CCN(CC[NH2+]CC[C@H](C)F)C(=O)C12CC[NH+](CC1)C2 ZINC001715768384 1179797963 /nfs/dbraw/zinc/79/79/63/1179797963.db2.gz UOBSAHMHTRFBSW-ZDUSSCGKSA-N 2 0 285.407 1.268 10 0 CDAERP CC[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001716008846 1179979575 /nfs/dbraw/zinc/97/95/75/1179979575.db2.gz KRDLSKJYDLJHSA-STQMWFEESA-N 2 0 255.406 1.221 10 0 CDAERP CC(C)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001716293544 1180145982 /nfs/dbraw/zinc/14/59/82/1180145982.db2.gz GXNXFMDZFCXQPL-NFAHFFEMSA-N 2 0 281.444 1.777 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NC/C=C\C[NH2+]CC2CC(C)(C)C2)C1 ZINC001716376322 1180174198 /nfs/dbraw/zinc/17/41/98/1180174198.db2.gz WQTLGZKSOWQMKB-FOSCPCJNSA-N 2 0 293.455 1.636 10 0 CDAERP C[C@H](C[NH2+]CC=C(Cl)Cl)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001716407352 1180189681 /nfs/dbraw/zinc/18/96/81/1180189681.db2.gz IMMPLZZCGOZSLR-NXEZZACHSA-N 2 0 294.226 1.494 10 0 CDAERP CC(C)=CC[NH+](C)[C@@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001717475979 1180696376 /nfs/dbraw/zinc/69/63/76/1180696376.db2.gz HMRWGPLOVYGYJZ-AWEZNQCLSA-N 2 0 281.444 1.873 10 0 CDAERP COCCC[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001717839283 1180889374 /nfs/dbraw/zinc/88/93/74/1180889374.db2.gz FQMWKYHKVARLFT-GDBMZVCRSA-N 2 0 297.443 1.088 10 0 CDAERP CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2cncc2C)C1 ZINC001717876272 1180907701 /nfs/dbraw/zinc/90/77/01/1180907701.db2.gz AXYUQUIAQCCLRN-GJZGRUSLSA-N 2 0 292.427 1.866 10 0 CDAERP CC[NH+](CC)CCCCNC(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000165108045 1180945491 /nfs/dbraw/zinc/94/54/91/1180945491.db2.gz SFAQKZKRTNPGJM-UONOGXRCSA-N 2 0 269.433 1.742 10 0 CDAERP CC[C@@H](C(=O)N(C)CCC[NH2+]Cc1ccccc1)[NH+](C)C ZINC001723123360 1181519663 /nfs/dbraw/zinc/51/96/63/1181519663.db2.gz NVLXAJHGDCSZQO-INIZCTEOSA-N 2 0 291.439 1.965 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]C/C=C/Cl)C1CC1 ZINC001723321906 1181537305 /nfs/dbraw/zinc/53/73/05/1181537305.db2.gz BYDDTLDKMIIJKH-RFHLNLMPSA-N 2 0 299.846 1.708 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001723594796 1181590359 /nfs/dbraw/zinc/59/03/59/1181590359.db2.gz IFGYASLUFBRCKV-AWEZNQCLSA-N 2 0 281.444 1.899 10 0 CDAERP C[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]CCC2CC2)CC1 ZINC001723975276 1181627093 /nfs/dbraw/zinc/62/70/93/1181627093.db2.gz URVDMGAPJUITAO-INIZCTEOSA-N 2 0 293.455 1.709 10 0 CDAERP COCCC[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001724851604 1181774604 /nfs/dbraw/zinc/77/46/04/1181774604.db2.gz NREKSWVNKWHHCY-HUUCEWRRSA-N 2 0 299.459 1.143 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC1CCC1 ZINC001725125099 1181873853 /nfs/dbraw/zinc/87/38/53/1181873853.db2.gz PYDROIKWGPNNES-OLZOCXBDSA-N 2 0 269.433 1.611 10 0 CDAERP CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001725450137 1182005627 /nfs/dbraw/zinc/00/56/27/1182005627.db2.gz ADQVYEAHQPHLMI-OAHLLOKOSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]CCCF ZINC001725526102 1182036995 /nfs/dbraw/zinc/03/69/95/1182036995.db2.gz UVIDFOUNGLDNEJ-LBPRGKRZSA-N 2 0 261.385 1.123 10 0 CDAERP CCCCC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC001725575638 1182056642 /nfs/dbraw/zinc/05/66/42/1182056642.db2.gz PPBPALLQFBIDTF-CABCVRRESA-N 2 0 293.455 1.851 10 0 CDAERP CCC[N@H+](C)CC(=O)NCC1=CC[NH+](CC2CC2)CC1 ZINC001725833531 1182146329 /nfs/dbraw/zinc/14/63/29/1182146329.db2.gz LMUBXNVJNHOWTN-UHFFFAOYSA-N 2 0 279.428 1.487 10 0 CDAERP CCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001731436787 1182383414 /nfs/dbraw/zinc/38/34/14/1182383414.db2.gz ZLIQKORWFXVRBF-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001731490712 1182417766 /nfs/dbraw/zinc/41/77/66/1182417766.db2.gz QZMJNOYCVDUAHF-BETUJISGSA-N 2 0 265.401 1.119 10 0 CDAERP C[C@H](O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001731543511 1182444163 /nfs/dbraw/zinc/44/41/63/1182444163.db2.gz SNJFPWFXUCJSRX-LSDHHAIUSA-N 2 0 299.459 1.070 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CC1CC1 ZINC001731744297 1182546773 /nfs/dbraw/zinc/54/67/73/1182546773.db2.gz GXQGWLXDZFCUIY-CVEARBPZSA-N 2 0 293.455 1.851 10 0 CDAERP CC[C@H](C)C[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001731831721 1182614759 /nfs/dbraw/zinc/61/47/59/1182614759.db2.gz TWWBTJQDICDODP-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP CN(CC[NH2+]CCCC1CCC1)C(=O)C12CC[NH+](CC1)C2 ZINC001731974624 1182709065 /nfs/dbraw/zinc/70/90/65/1182709065.db2.gz FUOFAMYCPJEOPE-UHFFFAOYSA-N 2 0 293.455 1.711 10 0 CDAERP CCCC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001732495891 1182990005 /nfs/dbraw/zinc/99/00/05/1182990005.db2.gz OQNRGQFANSPDKM-LSDHHAIUSA-N 2 0 293.455 1.709 10 0 CDAERP CCOCC[NH2+][C@@H](CNC(=O)C1CC[NH+](C)CC1)C(C)C ZINC001732565914 1183012859 /nfs/dbraw/zinc/01/28/59/1183012859.db2.gz IGFFZUMPUGTCRP-HNNXBMFYSA-N 2 0 299.459 1.095 10 0 CDAERP CCCCC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001732570922 1183015664 /nfs/dbraw/zinc/01/56/64/1183015664.db2.gz SWQBGUUUVYLYQN-GJZGRUSLSA-N 2 0 283.460 1.859 10 0 CDAERP CC[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001732800540 1183130356 /nfs/dbraw/zinc/13/03/56/1183130356.db2.gz YWEFKWVIYIAWLZ-AWEZNQCLSA-N 2 0 269.433 1.707 10 0 CDAERP CCC[NH2+]C[C@@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001732957871 1183204758 /nfs/dbraw/zinc/20/47/58/1183204758.db2.gz QVVNIMNFUDGMPI-LLVKDONJSA-N 2 0 283.441 1.928 10 0 CDAERP CCCC[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001733560141 1183466465 /nfs/dbraw/zinc/46/64/65/1183466465.db2.gz JGVMQMVZLDERQB-GJZGRUSLSA-N 2 0 293.455 1.566 10 0 CDAERP CCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001733649119 1183490015 /nfs/dbraw/zinc/49/00/15/1183490015.db2.gz RIQKXWLJMNNLAF-GOEBONIOSA-N 2 0 293.455 1.566 10 0 CDAERP CC(C)=CC[NH2+]CC[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001733679290 1183495951 /nfs/dbraw/zinc/49/59/51/1183495951.db2.gz XRIDWVBOQGBSGA-MRXNPFEDSA-N 2 0 293.455 1.877 10 0 CDAERP COCCC[NH2+][C@H](C)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001733993739 1183606139 /nfs/dbraw/zinc/60/61/39/1183606139.db2.gz FCIMNTGZJJWGIM-KGLIPLIRSA-N 2 0 299.459 1.238 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]C/C=C/Cl)C1 ZINC001734218516 1183695484 /nfs/dbraw/zinc/69/54/84/1183695484.db2.gz LRHYGUZOGYGELI-SKTRJTJASA-N 2 0 287.835 1.565 10 0 CDAERP CC(C)OCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001734427726 1183776492 /nfs/dbraw/zinc/77/64/92/1183776492.db2.gz JRVGQYNJBGQWDD-CABCVRRESA-N 2 0 299.459 1.331 10 0 CDAERP CC(C)C[NH2+]CC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC001771783299 1186870732 /nfs/dbraw/zinc/87/07/32/1186870732.db2.gz IUCKIELLKOAJCF-HNNXBMFYSA-N 2 0 281.444 1.470 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+]1CCC[C@H](C)C1 ZINC000468105593 1164337688 /nfs/dbraw/zinc/33/76/88/1164337688.db2.gz BMEKDSGWROGGTP-JONQDZQNSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2)CC[C@H]1C[NH3+] ZINC000923495370 735297348 /nfs/dbraw/zinc/29/73/48/735297348.db2.gz BGSFQULRBGMWHE-KBPBESRZSA-N 2 0 275.396 1.932 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000232799857 735304258 /nfs/dbraw/zinc/30/42/58/735304258.db2.gz KTKPXYYFOJNSLO-HUUCEWRRSA-N 2 0 293.455 1.851 10 0 CDAERP C[NH+](C)CCOc1ccccc1CNC(=[NH2+])NC1CC1 ZINC000848998306 735304630 /nfs/dbraw/zinc/30/46/30/735304630.db2.gz SVCXUCLMRHHLIJ-UHFFFAOYSA-N 2 0 276.384 1.403 10 0 CDAERP Cn1nnc2c1C[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)CC2 ZINC000922992459 735317459 /nfs/dbraw/zinc/31/74/59/735317459.db2.gz PTBSKSLTDQTYNZ-RYUDHWBXSA-N 2 0 277.416 1.135 10 0 CDAERP CN1C(=O)c2ccccc2[C@@H]1C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925716111 735350033 /nfs/dbraw/zinc/35/00/33/735350033.db2.gz BBHZUBJQUPRCIT-RRFJBIMHSA-N 2 0 285.391 1.673 10 0 CDAERP C[C@H]1C[N@H+](CCCC2CC[NH2+]CC2)CC[C@@H]1C[NH3+] ZINC000923496049 735365438 /nfs/dbraw/zinc/36/54/38/735365438.db2.gz ZDGHJYJUECDTIS-DZGCQCFKSA-N 3 0 253.434 1.683 10 0 CDAERP O=C1CCC2=C(CC[N@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)N1 ZINC000923386485 735415298 /nfs/dbraw/zinc/41/52/98/735415298.db2.gz GQVJTPFCCVGGIK-LQDVMPOASA-N 2 0 289.423 1.777 10 0 CDAERP CCCCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000706036778 735429565 /nfs/dbraw/zinc/42/95/65/735429565.db2.gz ZKOYJMLUICVWHG-ZIAGYGMSSA-N 2 0 284.448 1.167 10 0 CDAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](C[C@H](O)CC(F)(F)F)CC2 ZINC000923440602 735461703 /nfs/dbraw/zinc/46/17/03/735461703.db2.gz JBBCGKVQYRWJTJ-GHMZBOCLSA-N 2 0 296.333 1.130 10 0 CDAERP CCc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)[nH]n1 ZINC000796762999 735497133 /nfs/dbraw/zinc/49/71/33/735497133.db2.gz RJLZRPYFQXLVIF-KFWWJZLASA-N 2 0 262.401 1.935 10 0 CDAERP CCO[C@@H](C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)C1CC1 ZINC000863544324 735504776 /nfs/dbraw/zinc/50/47/76/735504776.db2.gz QQBUIZNEUYFHHU-LSDHHAIUSA-N 2 0 252.402 1.877 10 0 CDAERP Cc1cc([C@@H]([NH3+])CC(=O)N2CC[NH2+][C@H](C)C2)cc(Cl)n1 ZINC000841848352 735506387 /nfs/dbraw/zinc/50/63/87/735506387.db2.gz GBWBXVFPHNMUSZ-PWSUYJOCSA-N 2 0 296.802 1.254 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)CCC23CC(C2)C[NH2+]3)cc1 ZINC000870937658 735780191 /nfs/dbraw/zinc/78/01/91/735780191.db2.gz PFWXQHYJWFLCTL-RFSCMCKOSA-N 2 0 287.407 1.855 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000926536946 735822234 /nfs/dbraw/zinc/82/22/34/735822234.db2.gz CTIGSCCHRRQBCB-UUWGUWTESA-N 2 0 252.402 1.467 10 0 CDAERP CN1C[C@H](CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1=O ZINC000925813538 735845778 /nfs/dbraw/zinc/84/57/78/735845778.db2.gz UXYIZFBGKJQDTH-KLHDSHLOSA-N 2 0 293.455 1.755 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CC(C)(C)CO1 ZINC000926823908 735893006 /nfs/dbraw/zinc/89/30/06/735893006.db2.gz VHCGKZPYICVUIK-RBKKPWLPSA-N 2 0 252.402 1.731 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000226394753 735925586 /nfs/dbraw/zinc/92/55/86/735925586.db2.gz BDCBJZWYYYRCRD-XQQFMLRXSA-N 2 0 253.390 1.104 10 0 CDAERP CCO[C@@H](CC[NH+](C)C)CNC(=[NH2+])N1CC[C@@H](CC)C1 ZINC000864459185 736050858 /nfs/dbraw/zinc/05/08/58/736050858.db2.gz CKIVQKGGAXGKOI-KGLIPLIRSA-N 2 0 284.448 1.599 10 0 CDAERP C[C@H](C[NH2+][C@H](C1CC1)[C@@H]1CCCOC1)C[NH+](C)C ZINC000926469914 736069600 /nfs/dbraw/zinc/06/96/00/736069600.db2.gz IBLPGHBHYCNYGY-BPLDGKMQSA-N 2 0 254.418 1.979 10 0 CDAERP C[C@@H]1C[C@@H](NC[C@]23CCC[C@H]2[NH2+]CC3)C[N@@H+]1C1CC1 ZINC000925845667 736099459 /nfs/dbraw/zinc/09/94/59/736099459.db2.gz ZOSXGAWDZIVXLZ-RRCSTGOVSA-N 2 0 263.429 1.733 10 0 CDAERP COCCC[N@H+](C)CCN[C@@H](C)c1cn2c(n1)CCCC2 ZINC000925144483 736168730 /nfs/dbraw/zinc/16/87/30/736168730.db2.gz PRLCALQXYSZVED-AWEZNQCLSA-N 2 0 294.443 1.838 10 0 CDAERP CC[C@H](C[C@@](C)(O)CC)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000924755363 736175960 /nfs/dbraw/zinc/17/59/60/736175960.db2.gz IOUFEALIPJKITR-ILXRZTDVSA-N 2 0 272.433 1.362 10 0 CDAERP C(C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1)O[C@@H]1CCOC1 ZINC000923428651 736204753 /nfs/dbraw/zinc/20/47/53/736204753.db2.gz PXBDQKBIWRYBAN-CABCVRRESA-N 2 0 268.401 1.258 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1COC2(CCC2)C1 ZINC000926696427 736212993 /nfs/dbraw/zinc/21/29/93/736212993.db2.gz QLYYTHZODFNDJI-RBKKPWLPSA-N 2 0 250.386 1.628 10 0 CDAERP CCCCCC[N@H+](C)CC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000844192700 736270331 /nfs/dbraw/zinc/27/03/31/736270331.db2.gz LSSYRAWTJAPXJE-HNNXBMFYSA-N 2 0 281.444 1.851 10 0 CDAERP [NH3+]C[C@@H]1CCCc2ccc(C(=O)NC[C@H]3C[C@H]([NH3+])C3)cc21 ZINC000870972532 736274606 /nfs/dbraw/zinc/27/46/06/736274606.db2.gz JYONIVVQWUQAQZ-CQDKDKBSSA-N 2 0 287.407 1.532 10 0 CDAERP C[C@@H]1COC[C@@H](C)C1[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000924647340 736337512 /nfs/dbraw/zinc/33/75/12/736337512.db2.gz JINVHJZCNXMCFU-JHJVBQTASA-N 2 0 252.402 1.731 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)C1CCCCC1 ZINC000872274525 733234362 /nfs/dbraw/zinc/23/43/62/733234362.db2.gz ALVJGXMEJWOPLT-DLTWYDFYSA-N 2 0 293.455 1.741 10 0 CDAERP CCc1cc(=O)[nH]c(C[N@H+](C)CCCCCC[NH3+])n1 ZINC000872155768 733251232 /nfs/dbraw/zinc/25/12/32/733251232.db2.gz WIPKIICOBJRPMG-UHFFFAOYSA-N 2 0 266.389 1.696 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@H]2CCCN[C@@H]2C)CC1 ZINC000925490462 733258047 /nfs/dbraw/zinc/25/80/47/733258047.db2.gz BTHYWANJRBSXMC-HIFRSBDPSA-N 2 0 253.434 1.839 10 0 CDAERP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925513716 733296377 /nfs/dbraw/zinc/29/63/77/733296377.db2.gz ALGDAFHZOCJHQN-VQISRLSMSA-N 2 0 276.428 1.827 10 0 CDAERP FC(F)(F)[C@@H]1C[C@H]1C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925831678 733324384 /nfs/dbraw/zinc/32/43/84/733324384.db2.gz LLPUKPBLGJLUJQ-CCURFHNNSA-N 2 0 260.303 1.771 10 0 CDAERP CCCCNC(=O)[C@H](C)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923453524 733346862 /nfs/dbraw/zinc/34/68/62/733346862.db2.gz NIGWPALZYMQJSU-KBPBESRZSA-N 2 0 297.443 1.121 10 0 CDAERP CC(C)(C[NH2+][C@H]1CCCC[C@H]1C[NH3+])CS(C)(=O)=O ZINC000723880136 733359314 /nfs/dbraw/zinc/35/93/14/733359314.db2.gz XQCXBENRKCAUKF-RYUDHWBXSA-N 2 0 276.446 1.164 10 0 CDAERP C[C@H](C[NH2+][C@H](C1CCC1)[C@@H]1CCCO1)N1CC[NH+](C)CC1 ZINC000866262011 733404809 /nfs/dbraw/zinc/40/48/09/733404809.db2.gz ZDBWDXPJNKJHEE-HYVNUMGLSA-N 2 0 295.471 1.560 10 0 CDAERP NC(=O)c1ccc(CC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000866717507 733406812 /nfs/dbraw/zinc/40/68/12/733406812.db2.gz GUALSCVKIGFLGO-JKSUJKDBSA-N 2 0 287.407 1.402 10 0 CDAERP CC1(C)[C@@H]([NH3+])C[C@@H]1c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871801363 733411143 /nfs/dbraw/zinc/41/11/43/733411143.db2.gz RFKVSBPSIYEPLA-FGLXMSFASA-N 2 0 276.384 1.908 10 0 CDAERP CC(=O)N1CCC(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC1 ZINC000925499282 733446565 /nfs/dbraw/zinc/44/65/65/733446565.db2.gz NXUOCNDTUAPQME-PMPSAXMXSA-N 2 0 293.455 1.611 10 0 CDAERP O[C@H](C[NH2+]C[C@H]1CCC2(CCC2)CO1)C[NH+]1CCCC1 ZINC000716531319 733461914 /nfs/dbraw/zinc/46/19/14/733461914.db2.gz BXZRSLMWTYWSQT-HUUCEWRRSA-N 2 0 282.428 1.382 10 0 CDAERP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)C(C)(C)CO)CC1 ZINC000924666798 733475405 /nfs/dbraw/zinc/47/54/05/733475405.db2.gz DPRRRZUZTPBOQF-KBPBESRZSA-N 2 0 271.449 1.009 10 0 CDAERP C[C@@H]([NH3+])CN(C)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000861565646 733480034 /nfs/dbraw/zinc/48/00/34/733480034.db2.gz YSIYDESXXJHFCK-HIFRSBDPSA-N 2 0 292.427 1.148 10 0 CDAERP NC(=O)CC[N@H+](CCC[NH2+]C1CC1)Cc1ccccc1 ZINC000923302107 733504716 /nfs/dbraw/zinc/50/47/16/733504716.db2.gz RGZFGKVZAZDTKR-UHFFFAOYSA-N 2 0 275.396 1.506 10 0 CDAERP CCOC[C@@H](O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000381284876 733550498 /nfs/dbraw/zinc/55/04/98/733550498.db2.gz HYEHAWQLURRACK-PMPSAXMXSA-N 2 0 278.396 1.058 10 0 CDAERP Cc1noc(CCC[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)n1 ZINC000923494126 733551045 /nfs/dbraw/zinc/55/10/45/733551045.db2.gz KNYNIRHKWTXQQK-CMPLNLGQSA-N 2 0 252.362 1.227 10 0 CDAERP COC[C@H](C[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)C(C)C ZINC000721912874 733584070 /nfs/dbraw/zinc/58/40/70/733584070.db2.gz DTEOVNOKZNZNHE-WOPDTQHZSA-N 2 0 282.350 1.974 10 0 CDAERP CC1(C)[C@H]([NH2+]CCOC[C@@H]2CCCO2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925498976 733669521 /nfs/dbraw/zinc/66/95/21/733669521.db2.gz UPVKIUZFCZTYPB-LJISPDSOSA-N 2 0 282.428 1.548 10 0 CDAERP CCn1cc(CC[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cn1 ZINC000857087219 733671153 /nfs/dbraw/zinc/67/11/53/733671153.db2.gz PTMJTWBOQKVVNT-OAHLLOKOSA-N 2 0 262.401 1.521 10 0 CDAERP OCC1(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CCOCC1 ZINC000925618938 733744750 /nfs/dbraw/zinc/74/47/50/733744750.db2.gz XFIQOKMPIHDCPB-HOTGVXAUSA-N 2 0 296.455 1.533 10 0 CDAERP C[NH2+]C[C@H](C)C(=O)N1c2ccccc2[C@@H]([NH3+])C1(C)C ZINC000867988400 733764801 /nfs/dbraw/zinc/76/48/01/733764801.db2.gz LGTCZWZTVDWFLY-GXFFZTMASA-N 2 0 261.369 1.667 10 0 CDAERP CNC(=O)CCOC1CC[NH+](CCCCCC[NH3+])CC1 ZINC000846219019 733764871 /nfs/dbraw/zinc/76/48/71/733764871.db2.gz CVKBGDBNHJUQMB-UHFFFAOYSA-N 2 0 285.432 1.123 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=S)NCCC[NH+](C)C ZINC000853045042 733816749 /nfs/dbraw/zinc/81/67/49/733816749.db2.gz QQVGODSTQAKWTR-UHFFFAOYSA-N 2 0 288.505 1.523 10 0 CDAERP C[NH+](C)C[C@H](NC(=O)[C@@H]([NH3+])CC1CC1)c1ccccc1 ZINC000312426222 733817547 /nfs/dbraw/zinc/81/75/47/733817547.db2.gz SXFIYJXSMSOGAH-GJZGRUSLSA-N 2 0 275.396 1.533 10 0 CDAERP CC(C)(C)N1CC[C@@H]([NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1=O ZINC000925708176 733824744 /nfs/dbraw/zinc/82/47/44/733824744.db2.gz GKBJHKCWQMWDAD-FRRDWIJNSA-N 2 0 281.444 1.881 10 0 CDAERP C[NH2+]CC1CC[NH+](C[C@H]2CC3(CCC3)CO2)CC1 ZINC000872141829 733833578 /nfs/dbraw/zinc/83/35/78/733833578.db2.gz VHEOMLWOOMAAAS-CQSZACIVSA-N 2 0 252.402 1.877 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC=C(C(=O)OC)C2)[C@H](C)C1 ZINC000858474384 733847174 /nfs/dbraw/zinc/84/71/74/733847174.db2.gz AVOJDJJDDUIRTJ-BNOWGMLFSA-N 2 0 266.385 1.568 10 0 CDAERP CO[C@](C)(CO)C[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000926662941 733853638 /nfs/dbraw/zinc/85/36/38/733853638.db2.gz OSMZKFMPNCYUSH-HNNXBMFYSA-N 2 0 272.433 1.484 10 0 CDAERP [NH3+][C@H]1C[C@H](c2nc(-c3ccn4c[nH+]cc4c3)no2)C1 ZINC000854155518 733884389 /nfs/dbraw/zinc/88/43/89/733884389.db2.gz VJTUPKFCYMWSSF-MGCOHNPYSA-N 2 0 255.281 1.589 10 0 CDAERP CCn1cc(CC[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cn1 ZINC000923492165 733889280 /nfs/dbraw/zinc/88/92/80/733889280.db2.gz WSDJSJHLVGLGME-GXTWGEPZSA-N 2 0 250.390 1.362 10 0 CDAERP CCC[C@](C)([NH3+])C(=O)N1C[C@H]2CCCCN2C[C@H]1C ZINC000251342428 733891554 /nfs/dbraw/zinc/89/15/54/733891554.db2.gz PCFKMWOTSRVBCZ-NFAWXSAZSA-N 2 0 267.417 1.589 10 0 CDAERP C[C@H]([NH3+])c1ccc(CN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)cc1 ZINC000925701008 733947252 /nfs/dbraw/zinc/94/72/52/733947252.db2.gz YTCWKMTXGQZWHJ-QVILVFIQSA-N 2 0 271.408 1.792 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)[C@H]([NH3+])CC(F)F)C1 ZINC000870994118 734004148 /nfs/dbraw/zinc/00/41/48/734004148.db2.gz NHNGEUJBZNXMTA-RNCFNFMXSA-N 2 0 277.359 1.192 10 0 CDAERP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925841136 734013560 /nfs/dbraw/zinc/01/35/60/734013560.db2.gz FLUWRPCSZBFFMW-FVQBIDKESA-N 2 0 274.412 1.919 10 0 CDAERP O[C@H](C[NH2+]C[C@H]1CCC2(CCC2)O1)C[NH+]1CCCC1 ZINC000711479675 734025256 /nfs/dbraw/zinc/02/52/56/734025256.db2.gz XIRHXRFZXBEZFI-ZIAGYGMSSA-N 2 0 268.401 1.134 10 0 CDAERP CC(=O)NC1CCC([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000858120716 734051123 /nfs/dbraw/zinc/05/11/23/734051123.db2.gz KIPYCBHNHMDGKY-YMAMQOFZSA-N 2 0 281.444 1.896 10 0 CDAERP CCc1cc(=O)[nH]c(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)n1 ZINC000923500709 734070609 /nfs/dbraw/zinc/07/06/09/734070609.db2.gz XAYURSVRSOHCKW-QWRGUYRKSA-N 2 0 264.373 1.161 10 0 CDAERP CCCCOC[C@H](O)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000227911703 734087147 /nfs/dbraw/zinc/08/71/47/734087147.db2.gz SJMYVWYKINBBPA-HZSPNIEDSA-N 2 0 258.406 1.081 10 0 CDAERP COCCCCC[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872147429 734094685 /nfs/dbraw/zinc/09/46/85/734094685.db2.gz AMLLCEXEHDZTFU-MNOVXSKESA-N 2 0 268.323 1.872 10 0 CDAERP Cc1ccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)c(N(C)C)n1 ZINC000930503451 734108429 /nfs/dbraw/zinc/10/84/29/734108429.db2.gz BNVORHRKMHIWFJ-VXGBXAGGSA-N 2 0 291.399 1.670 10 0 CDAERP COC(=O)C1(C[N@@H+]2C[C@@]3(C)CN(C)C[C@@]3(C)C2)CC1 ZINC000931314026 734122529 /nfs/dbraw/zinc/12/25/29/734122529.db2.gz INCXKGUIFAKDIZ-OKILXGFUSA-N 2 0 266.385 1.213 10 0 CDAERP C[C@@H](c1cccc(O)c1)[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923313715 734125343 /nfs/dbraw/zinc/12/53/43/734125343.db2.gz XFHAMLGXTMWKHY-SWLSCSKDSA-N 2 0 276.380 1.764 10 0 CDAERP CSC1(CNC(=[NH2+])NCCC2CC2)CC[NH+](C)CC1 ZINC000864466962 734136541 /nfs/dbraw/zinc/13/65/41/734136541.db2.gz OHDAVHZQHXGCDQ-UHFFFAOYSA-N 2 0 284.473 1.728 10 0 CDAERP C[C@@H]1C[N@H+](C[C@@H](O)CCc2ccccc2)C[C@H]1C[NH3+] ZINC000923411601 734142532 /nfs/dbraw/zinc/14/25/32/734142532.db2.gz NYPRPUXIPYXKSM-BMFZPTHFSA-N 2 0 262.397 1.507 10 0 CDAERP C[NH2+]CCC1CC[NH+](C[C@@H]2C[C@H]3COC[C@@H]3O2)CC1 ZINC000724578336 734153521 /nfs/dbraw/zinc/15/35/21/734153521.db2.gz PKEOGGCXYHGAKJ-KKUMJFAQSA-N 2 0 268.401 1.112 10 0 CDAERP CCc1csc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC000866010224 734167082 /nfs/dbraw/zinc/16/70/82/734167082.db2.gz IDTXXXSVXJKQGO-CHWSQXEVSA-N 2 0 296.484 1.881 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)NCCC2CCCCC2)CC[C@H]1C[NH3+] ZINC000923500276 734203380 /nfs/dbraw/zinc/20/33/80/734203380.db2.gz WFOWNKBWVTUDLM-ZBFHGGJFSA-N 2 0 295.471 1.990 10 0 CDAERP C[C@@H]1CC2(CC([NH2+][C@@H]3CCc4nc[nH]c4C3)C2)CO1 ZINC000926450642 734228125 /nfs/dbraw/zinc/22/81/25/734228125.db2.gz PPONAMBNGSUACR-GNSQRIDDSA-N 2 0 261.369 1.814 10 0 CDAERP C[C@H]1C[C@@H](NC(=O)CCC23CC(C2)C[NH2+]3)C[N@@H+]1C1CC1 ZINC000870928355 734254144 /nfs/dbraw/zinc/25/41/44/734254144.db2.gz FDWLYBGTCFIMLQ-OPXGVBIBSA-N 2 0 277.412 1.260 10 0 CDAERP NC(=O)C[C@@H]1CCCC[N@@H+]1CCCCCCC[NH3+] ZINC000842472127 734260710 /nfs/dbraw/zinc/26/07/10/734260710.db2.gz RRUQNSOYOHBJBX-ZDUSSCGKSA-N 2 0 255.406 1.626 10 0 CDAERP C([C@@H]1C[C@@H]2COC[C@H]2O1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000929277882 734263267 /nfs/dbraw/zinc/26/32/67/734263267.db2.gz XAPRGGPCTGOITE-IXDOHACOSA-N 2 0 294.439 1.598 10 0 CDAERP CO[C@H]1C[C@@H](C[N@@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)C1 ZINC000721951229 734281530 /nfs/dbraw/zinc/28/15/30/734281530.db2.gz BEHUWYODUXNOKM-ZNSHCXBVSA-N 2 0 266.307 1.480 10 0 CDAERP O[C@@H](C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1)C1(O)CCCC1 ZINC000929991820 734286850 /nfs/dbraw/zinc/28/68/50/734286850.db2.gz JZLKXHRAOJYHSK-OLZOCXBDSA-N 2 0 279.384 1.255 10 0 CDAERP C[C@@]12CN(C(=O)C3([NH3+])CC3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702120352 734331835 /nfs/dbraw/zinc/33/18/35/734331835.db2.gz KBUKHQZYQPNANY-DOTOQJQBSA-N 2 0 299.418 1.458 10 0 CDAERP C[C@]1(C(F)(F)F)CC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000709637164 734387918 /nfs/dbraw/zinc/38/79/18/734387918.db2.gz BPBCVGHFKUGXHP-NSHDSACASA-N 2 0 265.323 1.166 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2ccc(F)cn2)C1 ZINC000819151784 734392720 /nfs/dbraw/zinc/39/27/20/734392720.db2.gz FAHOBUSNCRSJRN-CZUORRHYSA-N 2 0 295.402 1.822 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000828942784 734402048 /nfs/dbraw/zinc/40/20/48/734402048.db2.gz AXRSPXZHVJCDDP-YRGRVCCFSA-N 2 0 271.380 1.067 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH+]2CCCC2)CC[N@@H+]1C ZINC000865176837 734419866 /nfs/dbraw/zinc/41/98/66/734419866.db2.gz ZQTVXAOWIILXKL-MELADBBJSA-N 2 0 267.417 1.317 10 0 CDAERP CCn1ncc(CNCc2ccc(F)c(C[NH+](C)C)c2)n1 ZINC000838954944 734477598 /nfs/dbraw/zinc/47/75/98/734477598.db2.gz IAMNOFTVXHHHSX-UHFFFAOYSA-N 2 0 291.374 1.789 10 0 CDAERP C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)C1CC[NH+](C)CC1 ZINC000925845681 734479083 /nfs/dbraw/zinc/47/90/83/734479083.db2.gz ZTKKXBRLHIOGAC-FVQBIDKESA-N 3 0 265.445 1.839 10 0 CDAERP C[NH2+]CCCN1C[C@H](C[C@H]2COCC[NH2+]2)c2ccccc21 ZINC000923544006 734495594 /nfs/dbraw/zinc/49/55/94/734495594.db2.gz YCJLSIAEBAXKHL-GJZGRUSLSA-N 2 0 289.423 1.578 10 0 CDAERP CC[N@@H+]1CC[C@@H](C[NH2+]C2CCC(CNC(C)=O)CC2)C1 ZINC000865417686 734544193 /nfs/dbraw/zinc/54/41/93/734544193.db2.gz TVHQNOZDIFGPMU-PCKAHOCUSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@@H](C(=O)NCC(F)(F)F)[N@H+](C)CCCCCC[NH3+] ZINC000710835860 734552009 /nfs/dbraw/zinc/55/20/09/734552009.db2.gz BNLDSZXJCZZBIL-JTQLQIEISA-N 2 0 283.338 1.504 10 0 CDAERP CC[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)C1CCC1 ZINC000925849894 734626835 /nfs/dbraw/zinc/62/68/35/734626835.db2.gz RPECJNIOACIVNI-KGLIPLIRSA-N 2 0 280.412 1.840 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](C(C)(C)O)C1 ZINC000721863593 734737104 /nfs/dbraw/zinc/73/71/04/734737104.db2.gz PPMLUUQHQRJKFR-ZIAGYGMSSA-N 2 0 254.418 1.954 10 0 CDAERP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC000866706871 734738643 /nfs/dbraw/zinc/73/86/43/734738643.db2.gz FREKGSAWPURUHN-QLFBSQMISA-N 2 0 293.411 1.434 10 0 CDAERP CCC[C@H]1C[NH2+]CCN1C(=O)CCC12CC(C1)C[NH2+]2 ZINC000870939058 734748259 /nfs/dbraw/zinc/74/82/59/734748259.db2.gz JRTMGFQYUIYKHA-OWYJLGKBSA-N 2 0 265.401 1.119 10 0 CDAERP C[NH+](C)CC1(O)CC[NH+](C[C@@H]2CCC(F)(F)C2)CC1 ZINC000710666428 734750770 /nfs/dbraw/zinc/75/07/70/734750770.db2.gz ZOJPRQYBFMOBLY-GFCCVEGCSA-N 2 0 276.371 1.810 10 0 CDAERP C(C[C@@H]1CCSC1)[NH2+][C@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000873236330 734791446 /nfs/dbraw/zinc/79/14/46/734791446.db2.gz WHQYNIUUIOBAMI-QPSCCSFWSA-N 2 0 284.469 1.876 10 0 CDAERP C[C@@H]1C[N@H+](CCCc2cncn2C)CC[C@H]1C[NH3+] ZINC000923488111 734790538 /nfs/dbraw/zinc/79/05/38/734790538.db2.gz DKHGEOQIEMBXLH-OLZOCXBDSA-N 2 0 250.390 1.269 10 0 CDAERP CCCCOC(=O)CC[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000846226653 734812724 /nfs/dbraw/zinc/81/27/24/734812724.db2.gz SMWGPNLRYAZUMP-CHWSQXEVSA-N 2 0 272.389 1.015 10 0 CDAERP CN(C)c1cc(CN2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)ccn1 ZINC000931311629 734819614 /nfs/dbraw/zinc/81/96/14/734819614.db2.gz OKXINDLRYNVXON-CALCHBBNSA-N 2 0 288.439 1.921 10 0 CDAERP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1cn(C)nn1 ZINC000715886578 734824451 /nfs/dbraw/zinc/82/44/51/734824451.db2.gz WRZRVBKBVXBXGZ-QWRGUYRKSA-N 2 0 251.378 1.196 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)CCCCC[NH3+])cc1 ZINC000832815011 734827334 /nfs/dbraw/zinc/82/73/34/734827334.db2.gz KXMLZVQAOWCFII-GFCCVEGCSA-N 2 0 263.385 1.842 10 0 CDAERP CN(C)[C@H](CC[NH2+][C@H]1CCC[C@H]([NH3+])C1)C(F)(F)F ZINC000925836754 734827654 /nfs/dbraw/zinc/82/76/54/734827654.db2.gz MJNJAESSJRKFQN-GARJFASQSA-N 2 0 267.339 1.729 10 0 CDAERP C[NH+]1CCC(C[NH2+][C@H]2CCCN3CCSC[C@@H]23)CC1 ZINC000718457148 734836816 /nfs/dbraw/zinc/83/68/16/734836816.db2.gz LTFAAIXDKZRFNK-GJZGRUSLSA-N 2 0 283.485 1.498 10 0 CDAERP CC[C@@H]1CCC[C@H](C)[N@@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878996014 734845997 /nfs/dbraw/zinc/84/59/97/734845997.db2.gz XONWVZXLEHWSDT-DZGCQCFKSA-N 2 0 281.444 1.850 10 0 CDAERP C[C@@H]1C[C@H](NC[C@]23CCC[C@H]2[NH2+]CC3)C[N@@H+]1C1CC1 ZINC000925845666 734894522 /nfs/dbraw/zinc/89/45/22/734894522.db2.gz ZOSXGAWDZIVXLZ-OCVGTWLNSA-N 2 0 263.429 1.733 10 0 CDAERP CC[C@@H]1CCN(C(=[NH2+])NC[C@H]2CCC[N@H+](C)C2)C1 ZINC000864457235 734894952 /nfs/dbraw/zinc/89/49/52/734894952.db2.gz BUGSWKJIXPWVAN-CHWSQXEVSA-N 2 0 252.406 1.584 10 0 CDAERP C[C@H](CNC(=O)CCC12CC(C1)C[NH2+]2)[N@H+](C)C1CC1 ZINC000870880765 734920105 /nfs/dbraw/zinc/92/01/05/734920105.db2.gz NYJVLJTUQNYOMY-XIKARTHZSA-N 2 0 265.401 1.118 10 0 CDAERP Cc1cc([C@H]([NH3+])CC(=O)NC[C@H](C)[NH+](C)C)cc(Cl)n1 ZINC000831871400 734920247 /nfs/dbraw/zinc/92/02/47/734920247.db2.gz XKLWMHGDWSFCAE-CMPLNLGQSA-N 2 0 298.818 1.500 10 0 CDAERP Cc1ccccc1NC(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000227765869 734930779 /nfs/dbraw/zinc/93/07/79/734930779.db2.gz CWOQCRQBJAGZHD-UONOGXRCSA-N 2 0 275.396 1.850 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cn(C)nc1Cl ZINC000856771408 734934868 /nfs/dbraw/zinc/93/48/68/734934868.db2.gz FMQXPFGPBBWQJM-GFCCVEGCSA-N 2 0 288.823 1.520 10 0 CDAERP C[C@@H]1[C@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)CC[N@@H+]1C ZINC000922177801 734948664 /nfs/dbraw/zinc/94/86/64/734948664.db2.gz JYXWYQKOOSNWFT-ZIAGYGMSSA-N 2 0 296.459 1.500 10 0 CDAERP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(F)nc2C)CC1 ZINC000785418070 734963339 /nfs/dbraw/zinc/96/33/39/734963339.db2.gz QXAMJKBKDHYFFS-ZDUSSCGKSA-N 2 0 294.418 1.645 10 0 CDAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@@H]3COc4ccccc4O3)C[C@@H]12 ZINC000312615474 734976214 /nfs/dbraw/zinc/97/62/14/734976214.db2.gz AKFUHGWSYWAPAS-AAVRWANBSA-N 2 0 274.364 1.496 10 0 CDAERP Cc1nnc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)s1 ZINC000866011953 734993304 /nfs/dbraw/zinc/99/33/04/734993304.db2.gz NFZXDWRCZGUPEU-VXGBXAGGSA-N 2 0 283.445 1.022 10 0 CDAERP C(c1nc2c(s1)C[NH2+]CC2)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000853246507 735003026 /nfs/dbraw/zinc/00/30/26/735003026.db2.gz LXXDAHFRNILJPG-UHFFFAOYSA-N 3 0 292.452 1.364 10 0 CDAERP C[C@@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)C1CC[NH2+]CC1 ZINC000925728585 735012899 /nfs/dbraw/zinc/01/28/99/735012899.db2.gz LEDLCUKQMUSOEE-KWCYVHTRSA-N 3 0 253.434 1.870 10 0 CDAERP COC[C@H]([NH2+][C@@H]1CNCC2(CCOCC2)C1)C(C)C ZINC000925800084 735031797 /nfs/dbraw/zinc/03/17/97/735031797.db2.gz WMKYTYJQPRZLDO-KBPBESRZSA-N 2 0 270.417 1.406 10 0 CDAERP CCOC(=O)C1=CC[C@@H]([NH2+][C@@H](C)CCCC[NH3+])C1 ZINC000863544464 735038983 /nfs/dbraw/zinc/03/89/83/735038983.db2.gz UYDMPCIWFQPRKZ-WCQYABFASA-N 2 0 254.374 1.745 10 0 CDAERP C[C@H]1[C@H](NC(=O)N2CCCC23CC[NH+](C)CC3)CC[N@@H+]1C ZINC000925339097 735042404 /nfs/dbraw/zinc/04/24/04/735042404.db2.gz VZRPVIXQBWFLAD-UONOGXRCSA-N 2 0 294.443 1.349 10 0 CDAERP C[NH+]1CCC(C)(CNC(=[NH2+])NC[C@@H]2CCCO2)CC1 ZINC000849016567 735093514 /nfs/dbraw/zinc/09/35/14/735093514.db2.gz RZFFPLGZFFCMKS-LBPRGKRZSA-N 2 0 268.405 1.011 10 0 CDAERP C[NH+](C)CCC[NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC000865397731 735097118 /nfs/dbraw/zinc/09/71/18/735097118.db2.gz KSHHHRWEBWYXNX-UHFFFAOYSA-N 2 0 297.443 1.927 10 0 CDAERP [NH3+]CC1CC[NH+](C[C@@H]2CC[C@H](C(F)(F)F)O2)CC1 ZINC000721445635 735113549 /nfs/dbraw/zinc/11/35/49/735113549.db2.gz PVKBKSXQOXUJRG-WDEREUQCSA-N 2 0 266.307 1.767 10 0 CDAERP O[C@H](C[NH2+][C@@H]1CCOC12CCCCC2)C[NH+]1CCCC1 ZINC000924757998 735175768 /nfs/dbraw/zinc/17/57/68/735175768.db2.gz RXDFAMCWKCCBND-HUUCEWRRSA-N 2 0 282.428 1.525 10 0 CDAERP c1c(CN2CCC3(CC[NH2+]3)CC2)sc2c1C[NH2+]CC2 ZINC000873213597 735177277 /nfs/dbraw/zinc/17/72/77/735177277.db2.gz IPIRCAJSASFVKW-UHFFFAOYSA-N 2 0 277.437 1.722 10 0 CDAERP COC(=O)N1CCC([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000858107898 735179031 /nfs/dbraw/zinc/17/90/31/735179031.db2.gz LTCHOYMHKALUSR-ZDUSSCGKSA-N 2 0 283.416 1.680 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)C=C1CC[NH2+]CC1 ZINC000852869388 735186778 /nfs/dbraw/zinc/18/67/78/735186778.db2.gz FBELCISGGZHADA-UHFFFAOYSA-N 2 0 253.390 1.144 10 0 CDAERP C[C@@H](CCc1cccnc1)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000866264300 735188048 /nfs/dbraw/zinc/18/80/48/735188048.db2.gz XWXNAMQMSAXBDE-HOTGVXAUSA-N 2 0 290.455 1.628 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925648937 735194507 /nfs/dbraw/zinc/19/45/07/735194507.db2.gz ZXQFAKRSAXGPTC-CABCVRRESA-N 3 0 285.476 1.840 10 0 CDAERP C[C@@H]1CN([C@@H](C(N)=O)c2ccc(F)cc2)CC[C@H]1C[NH3+] ZINC000923495377 735239115 /nfs/dbraw/zinc/23/91/15/735239115.db2.gz BHYVBJDATRJOHH-SCDSUCTJSA-N 2 0 279.359 1.269 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCc1cccc2c1OCCO2 ZINC000925873541 735244345 /nfs/dbraw/zinc/24/43/45/735244345.db2.gz BGERECUYSZVIGG-KBPBESRZSA-N 2 0 276.380 1.717 10 0 CDAERP COCC[C@H]1CCC[C@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925810713 735246465 /nfs/dbraw/zinc/24/64/65/735246465.db2.gz FQTUVYXBOIGFQU-UKRRQHHQSA-N 2 0 269.433 1.204 10 0 CDAERP C[C@]1(CNC(=O)CCC23CC(C2)C[NH2+]3)CCC[NH2+]C1 ZINC000870939214 735254925 /nfs/dbraw/zinc/25/49/25/735254925.db2.gz MUXXZJXSMWWHKT-BLZCZZARSA-N 2 0 265.401 1.025 10 0 CDAERP CC(C)CN(C(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1)C1CC1 ZINC000923501924 735572990 /nfs/dbraw/zinc/57/29/90/735572990.db2.gz XBOFTXPNBLRAAA-KBPBESRZSA-N 2 0 281.444 1.550 10 0 CDAERP CCOCCOCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000923328747 735630357 /nfs/dbraw/zinc/63/03/57/735630357.db2.gz NJLWBZWWQAHKPH-GJZGRUSLSA-N 2 0 270.417 1.504 10 0 CDAERP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H]2CCC3(COC3)O2)C1 ZINC000929762119 735647320 /nfs/dbraw/zinc/64/73/20/735647320.db2.gz CPADIEYHOSTRPO-HZPDHXFCSA-N 2 0 294.439 1.598 10 0 CDAERP CC[C@H]1C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCS1 ZINC000923318305 735675929 /nfs/dbraw/zinc/67/59/29/735675929.db2.gz YTMQJODBRXVECF-RYUDHWBXSA-N 2 0 256.415 1.192 10 0 CDAERP OCC1([NH2+]CC2CC2)CC[NH+](CC2(O)CCCCC2)CC1 ZINC000844334959 735842294 /nfs/dbraw/zinc/84/22/94/735842294.db2.gz MMZQUAZYLDZLKC-UHFFFAOYSA-N 2 0 296.455 1.508 10 0 CDAERP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccnnc1 ZINC000924629659 735844017 /nfs/dbraw/zinc/84/40/17/735844017.db2.gz RDFHOGPIMMUJFJ-ZDUSSCGKSA-N 2 0 277.416 1.153 10 0 CDAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCOC1CCOCC1 ZINC000925877616 735981727 /nfs/dbraw/zinc/98/17/27/735981727.db2.gz KLJUAJOKEJWZIH-LBPRGKRZSA-N 2 0 293.411 1.695 10 0 CDAERP C[NH2+]C[C@@](C)(O)C[N@@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000863557150 735984770 /nfs/dbraw/zinc/98/47/70/735984770.db2.gz KBKIRWDZYBQODK-MWDXBVQZSA-N 2 0 274.408 1.692 10 0 CDAERP [NH3+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000870972368 736039191 /nfs/dbraw/zinc/03/91/91/736039191.db2.gz ZCLDVOLYUXNBDI-LPWJVIDDSA-N 2 0 253.390 1.138 10 0 CDAERP C[NH+](C)C1CCC([NH2+]C[C@H](O)c2ccc(F)cn2)CC1 ZINC000819374289 736078002 /nfs/dbraw/zinc/07/80/02/736078002.db2.gz KDNSQFDSMMNQBO-PIMMBPRGSA-N 2 0 281.375 1.717 10 0 CDAERP [NH3+][C@H]1C[C@@H]([NH2+]CC2(CF)CCOCC2)C12CCC2 ZINC000925683577 736084577 /nfs/dbraw/zinc/08/45/77/736084577.db2.gz SRNVWKATDRILML-NWDGAFQWSA-N 2 0 256.365 1.612 10 0 CDAERP C[C@@]1(CN[C@H]2CC[NH2+]C2)CC[N@H+](Cc2ccccc2)C1 ZINC000309741349 736160885 /nfs/dbraw/zinc/16/08/85/736160885.db2.gz RWOLQOLLPJHUSD-IRXDYDNUSA-N 2 0 273.424 1.850 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCOc2cccnc2)C1 ZINC000925488781 736166000 /nfs/dbraw/zinc/16/60/00/736166000.db2.gz LJMSPWSSKDYAQI-CHWSQXEVSA-N 2 0 263.385 1.956 10 0 CDAERP COC(=O)C1=CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000863543223 736202301 /nfs/dbraw/zinc/20/23/01/736202301.db2.gz XCRLDSZRHIGALS-LJISPDSOSA-N 2 0 278.396 1.759 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)CCC[NH2+]C2CC2)[C@H](C)C1 ZINC000923324552 736316006 /nfs/dbraw/zinc/31/60/06/736316006.db2.gz HVRMUODKGRYDIO-UKRRQHHQSA-N 2 0 253.434 1.791 10 0 CDAERP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccnc(F)c2)CC1 ZINC000858097760 736333015 /nfs/dbraw/zinc/33/30/15/736333015.db2.gz YEQZQKSTMGTVJS-ZDUSSCGKSA-N 2 0 280.391 1.336 10 0 CDAERP [NH3+]CC1CCC([NH2+]CC[C@H]2CCCS2(=O)=O)CC1 ZINC001646284658 1167746241 /nfs/dbraw/zinc/74/62/41/1167746241.db2.gz BCMXTZZAEQJSQR-WXRRBKDZSA-N 2 0 274.430 1.061 10 0 CDAERP C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCC(C)(C)[NH+](C)C)C[N@@H+]2C1 ZINC001646929717 1168262158 /nfs/dbraw/zinc/26/21/58/1168262158.db2.gz AMOMROPKDQMJFE-MGPQQGTHSA-N 2 0 281.444 1.563 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CC12CC[NH+](CC)CC2)[NH+](C)C ZINC001566690113 1168386507 /nfs/dbraw/zinc/38/65/07/1168386507.db2.gz ZNQHNSGIJIAWCF-OLZOCXBDSA-N 2 0 267.417 1.317 10 0 CDAERP CC[NH2+][C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001566717874 1168399748 /nfs/dbraw/zinc/39/97/48/1168399748.db2.gz XVFGPCGTWYTLDW-CYBMUJFWSA-N 2 0 267.417 1.365 10 0 CDAERP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC=C(C)C)C1)[NH+](C)C ZINC001566777042 1168416900 /nfs/dbraw/zinc/41/69/00/1168416900.db2.gz YFFSTZZKDZAJLU-KBPBESRZSA-N 2 0 267.417 1.483 10 0 CDAERP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001567102684 1168561602 /nfs/dbraw/zinc/56/16/02/1168561602.db2.gz AXFNMNDBLVSBND-LFAOLKIESA-N 2 0 281.444 1.875 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001483689419 912760029 /nfs/dbraw/zinc/76/00/29/912760029.db2.gz QPGOACQBONRTDI-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP CC[C@@H](C)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001493546266 913252946 /nfs/dbraw/zinc/25/29/46/913252946.db2.gz NZRWZTOGGBUAER-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP C[N@H+](CC1CC[NH+](C)CC1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699302232 913694436 /nfs/dbraw/zinc/69/44/36/913694436.db2.gz SKYGELAOLZMHSH-MQVJKMGUSA-N 3 0 265.445 1.791 10 0 CDAERP C[N@H+](CCNC(=O)CCc1c[nH]cn1)CC1CC(C)(C)C1 ZINC001480872237 894759725 /nfs/dbraw/zinc/75/97/25/894759725.db2.gz RBDWEJIPFGVGDC-UHFFFAOYSA-N 2 0 292.427 1.827 10 0 CDAERP Cc1cc(C[NH2+]CCN(C)C(=O)C[N@H+](C)C2CCC2)on1 ZINC001567509175 1168822392 /nfs/dbraw/zinc/82/23/92/1168822392.db2.gz VNWRVUMVYRSLLY-UHFFFAOYSA-N 2 0 294.399 1.015 10 0 CDAERP CC[NH2+][C@@H](C)CNC(=O)CCCC[NH+]1CCCC1 ZINC001266996727 896518297 /nfs/dbraw/zinc/51/82/97/896518297.db2.gz TXYPILGUDLNJFP-ZDUSSCGKSA-N 2 0 255.406 1.367 10 0 CDAERP CCC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001267057845 896652503 /nfs/dbraw/zinc/65/25/03/896652503.db2.gz LRTUZAGZYUMGBT-KGLIPLIRSA-N 2 0 267.417 1.176 10 0 CDAERP CN(CC[NH2+]CC1CCCCCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001567604887 1168883005 /nfs/dbraw/zinc/88/30/05/1168883005.db2.gz OUFACIBGTWWAGN-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001481083057 898767189 /nfs/dbraw/zinc/76/71/89/898767189.db2.gz HWROHZRMAXZYLL-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCCCF)C1 ZINC001267610205 898918359 /nfs/dbraw/zinc/91/83/59/898918359.db2.gz SHSNHMGRCAZGKT-CABCVRRESA-N 2 0 299.434 1.801 10 0 CDAERP C[C@H](F)CC[N@H+](CCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001481197153 899115742 /nfs/dbraw/zinc/11/57/42/899115742.db2.gz VEMHYQGCAXMHQG-ZDUSSCGKSA-N 2 0 285.407 1.411 10 0 CDAERP CC[NH2+]CC[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001267886863 899941584 /nfs/dbraw/zinc/94/15/84/899941584.db2.gz XBNAZVYGWSDHGR-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NCC[C@@H]2CC[NH+](CCCF)C2)C1 ZINC001481455574 900725565 /nfs/dbraw/zinc/72/55/65/900725565.db2.gz BEFCZTSHAGHSFK-CABCVRRESA-N 2 0 299.434 1.516 10 0 CDAERP CCCC[NH2+][C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C(C)C ZINC001268224722 901602837 /nfs/dbraw/zinc/60/28/37/901602837.db2.gz WOFPWUVOECIBDN-CABCVRRESA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)CCc2c[nH]cn2)C1 ZINC001481728651 901957509 /nfs/dbraw/zinc/95/75/09/901957509.db2.gz YWKANGDZCJSFSY-OAHLLOKOSA-N 2 0 292.427 1.921 10 0 CDAERP CO[C@H](C)C[NH2+]CC[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001268378892 901961158 /nfs/dbraw/zinc/96/11/58/901961158.db2.gz CALMIBZBRDWTMY-UONOGXRCSA-N 2 0 297.443 1.134 10 0 CDAERP CCN(CC[NH2+]CC1CC1)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001268500231 902409450 /nfs/dbraw/zinc/40/94/50/902409450.db2.gz SWQITJPEIYFOIT-MRXNPFEDSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)OCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001482114022 902658236 /nfs/dbraw/zinc/65/82/36/902658236.db2.gz WWVHVZNMZLKKOH-HUUCEWRRSA-N 2 0 299.459 1.238 10 0 CDAERP CC[C@@H](C)C[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001483763021 914680900 /nfs/dbraw/zinc/68/09/00/914680900.db2.gz SIMLZDIFIGMBRU-CYBMUJFWSA-N 2 0 281.444 1.613 10 0 CDAERP CCCC[NH2+]C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001269109190 903431999 /nfs/dbraw/zinc/43/19/99/903431999.db2.gz FSTIFLOVIVRVTA-OAHLLOKOSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCF)CC1 ZINC001269442390 903809081 /nfs/dbraw/zinc/80/90/81/903809081.db2.gz DXGAEARRQALJHB-AWEZNQCLSA-N 2 0 299.434 1.705 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CCC[C@@H]1C[NH2+]CCC1CC1 ZINC001270308921 904521979 /nfs/dbraw/zinc/52/19/79/904521979.db2.gz OMEAIYJGWAKSCZ-OAHLLOKOSA-N 2 0 279.428 1.463 10 0 CDAERP CC(C)OCC[NH2+]C[C@@H](C)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001482291712 904670988 /nfs/dbraw/zinc/67/09/88/904670988.db2.gz ICBZACNNEVYQEV-CQSZACIVSA-N 2 0 299.459 1.332 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CC)C1 ZINC001482322924 905001018 /nfs/dbraw/zinc/00/10/18/905001018.db2.gz FSMIRLABGSFWLY-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP CCOCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001270830225 905115522 /nfs/dbraw/zinc/11/55/22/905115522.db2.gz PPUCSRYXXWEYJA-GDBMZVCRSA-N 2 0 299.459 1.191 10 0 CDAERP CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CN(CC)CCO1 ZINC001271607190 906543382 /nfs/dbraw/zinc/54/33/82/906543382.db2.gz CAYSRAYMKMBRDF-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CCC1CC1 ZINC001482565099 907146406 /nfs/dbraw/zinc/14/64/06/907146406.db2.gz IUFMLGTUVGVZEZ-HZPDHXFCSA-N 2 0 295.471 1.859 10 0 CDAERP CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001567914686 1169066406 /nfs/dbraw/zinc/06/64/06/1169066406.db2.gz XAVSFPWMZVIFEG-CHWSQXEVSA-N 2 0 255.406 1.269 10 0 CDAERP COCC[N@H+](C)CCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001482606742 907882350 /nfs/dbraw/zinc/88/23/50/907882350.db2.gz VARXXHXFADNJEV-LSDHHAIUSA-N 2 0 297.443 1.040 10 0 CDAERP COCC[N@H+](C)CCN(C)C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001482606741 907885619 /nfs/dbraw/zinc/88/56/19/907885619.db2.gz VARXXHXFADNJEV-HUUCEWRRSA-N 2 0 297.443 1.040 10 0 CDAERP Cc1oncc1C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001482817585 908404644 /nfs/dbraw/zinc/40/46/44/908404644.db2.gz YVFRSLAHKOGLLN-FZMZJTMJSA-N 2 0 294.399 1.062 10 0 CDAERP CC(C)[NH2+]CC[C@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001482840889 908418655 /nfs/dbraw/zinc/41/86/55/908418655.db2.gz ABVNGWFGKFLGGR-KBPBESRZSA-N 2 0 269.433 1.754 10 0 CDAERP CC[N@H+](C)C[C@H](O)C[NH2+]C1(CO)CCCCCCC1 ZINC000713437118 909624040 /nfs/dbraw/zinc/62/40/40/909624040.db2.gz QXSMVHGUKQZWFT-CQSZACIVSA-N 2 0 272.433 1.364 10 0 CDAERP C[C@H](C[NH2+]C[C@H]1CCC(F)(F)C1)NC(=O)CC[NH+](C)C ZINC001483162826 909892120 /nfs/dbraw/zinc/89/21/20/909892120.db2.gz PIMRLJGNPSXGDV-NEPJUHHUSA-N 2 0 291.386 1.468 10 0 CDAERP CC(C)CCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001483228529 910301357 /nfs/dbraw/zinc/30/13/57/910301357.db2.gz RVYZSHNBFOJOAK-RRFJBIMHSA-N 2 0 283.460 1.857 10 0 CDAERP C[C@H](CC[NH2+]CCCF)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001273017636 921565952 /nfs/dbraw/zinc/56/59/52/921565952.db2.gz CNSHYBAEOXSJHY-QWHCGFSZSA-N 2 0 273.396 1.172 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001483254876 910743486 /nfs/dbraw/zinc/74/34/86/910743486.db2.gz AYNGVTCRWCRGIB-FRRDWIJNSA-N 2 0 255.406 1.221 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001483259841 910750728 /nfs/dbraw/zinc/75/07/28/910750728.db2.gz QNMJIFNNKATBKP-QPSCCSFWSA-N 2 0 283.460 1.857 10 0 CDAERP CO[C@@H](C)C[NH2+]CC[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001568066268 1169131485 /nfs/dbraw/zinc/13/14/85/1169131485.db2.gz LDGSDEZSYIPHPL-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+]CC1CC(C)C1)C1CC1 ZINC001483606150 911312970 /nfs/dbraw/zinc/31/29/70/911312970.db2.gz AVRCYHNEOMOGQK-ZBCRRDGASA-N 2 0 295.471 1.857 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1CC[C@@H](CC[NH2+]CC)C1 ZINC001484550540 915876688 /nfs/dbraw/zinc/87/66/88/915876688.db2.gz USVNHAWOAZQLQF-CQSZACIVSA-N 2 0 269.433 1.566 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](CC[NH2+]CC3CC3)C2)C1 ZINC001484549697 915877803 /nfs/dbraw/zinc/87/78/03/915877803.db2.gz KZBJEENUTRWPPH-HUUCEWRRSA-N 2 0 279.428 1.176 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H](C)[NH2+]CCC(F)(F)F ZINC001485205390 916671575 /nfs/dbraw/zinc/67/15/75/916671575.db2.gz BJDJGSBEEVYHBP-GHMZBOCLSA-N 2 0 297.365 1.763 10 0 CDAERP CC(C)C[NH2+][C@H](C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001485213111 916677022 /nfs/dbraw/zinc/67/70/22/916677022.db2.gz ASQFBZCPICLGBM-OLZOCXBDSA-N 2 0 267.417 1.221 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)N(C)Cc1cnc(C)o1)[NH+](C)C ZINC001485317910 916798319 /nfs/dbraw/zinc/79/83/19/916798319.db2.gz CRHGOZZPSCSUSP-SMDDNHRTSA-N 2 0 296.415 1.260 10 0 CDAERP CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001493961238 916942734 /nfs/dbraw/zinc/94/27/34/916942734.db2.gz NMXNWMNVTIOCFH-CQSZACIVSA-N 2 0 269.433 1.659 10 0 CDAERP C[C@H](O)C[NH2+]CC1(NC(=O)CCC[NH+](C)C)CCCCC1 ZINC001485454784 916980405 /nfs/dbraw/zinc/98/04/05/916980405.db2.gz LWNFAUQIJVKBJF-AWEZNQCLSA-N 2 0 299.459 1.118 10 0 CDAERP CC(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001485613921 917136417 /nfs/dbraw/zinc/13/64/17/917136417.db2.gz DIOCHOFIJNAQJD-QKDCVEJESA-N 2 0 281.444 1.278 10 0 CDAERP CC(C)[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001485811550 917490319 /nfs/dbraw/zinc/49/03/19/917490319.db2.gz OIGDMIIKQHIOLD-JKSUJKDBSA-N 2 0 293.455 1.563 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CCF)C1 ZINC001485911035 920565067 /nfs/dbraw/zinc/56/50/67/920565067.db2.gz DXLFPMTTXZFYAD-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001485918444 920575376 /nfs/dbraw/zinc/57/53/76/920575376.db2.gz BAICXUDYLNLOKO-LSDHHAIUSA-N 2 0 283.460 1.975 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2cnc[nH]2)C1 ZINC001486124519 920732256 /nfs/dbraw/zinc/73/22/56/920732256.db2.gz QPYOAWXFMDYDTJ-JSGCOSHPSA-N 2 0 278.400 1.577 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@@H]1CC[C@@H]2C[NH+](C)C[C@H]12 ZINC001649361695 1169241135 /nfs/dbraw/zinc/24/11/35/1169241135.db2.gz WEISXMYJOODMLR-QKGCVVFFSA-N 2 0 279.428 1.316 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]CCF)C2CCCCC2)C1 ZINC001568349416 1169257309 /nfs/dbraw/zinc/25/73/09/1169257309.db2.gz VQUHXALHKMJZID-LSDHHAIUSA-N 2 0 299.434 1.562 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001491004168 936841071 /nfs/dbraw/zinc/84/10/71/936841071.db2.gz ZVINYDOCZOSCSW-HZSPNIEDSA-N 2 0 267.417 1.364 10 0 CDAERP C[NH+](C)CC1(C(=O)N2CCC[C@@H](C[NH2+]CCF)C2)CC1 ZINC001491170822 936868444 /nfs/dbraw/zinc/86/84/44/936868444.db2.gz RQKWVINZJBXLIN-ZDUSSCGKSA-N 2 0 285.407 1.126 10 0 CDAERP Cc1cc(C[NH3+])cc(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC001118270694 924091344 /nfs/dbraw/zinc/09/13/44/924091344.db2.gz NHUAOBMENQRIAT-KBPBESRZSA-N 2 0 261.369 1.910 10 0 CDAERP CC[NH2+]CC[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001568392830 1169271099 /nfs/dbraw/zinc/27/10/99/1169271099.db2.gz XQXZJEZLYJOBMI-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC001141937535 936956192 /nfs/dbraw/zinc/95/61/92/936956192.db2.gz CPTCXTJPCXQAAW-WCQYABFASA-N 2 0 255.406 1.031 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001488648709 926637059 /nfs/dbraw/zinc/63/70/59/926637059.db2.gz SWTMQXWMNCIFLK-LGZALOBFSA-N 2 0 293.455 1.970 10 0 CDAERP C=C/C=C\CC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC001143146131 937124997 /nfs/dbraw/zinc/12/49/97/937124997.db2.gz YOJDWMPXVRMYBM-PTZVLDCSSA-N 2 0 293.455 1.993 10 0 CDAERP C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)CC1CCCC1 ZINC001490164852 927001647 /nfs/dbraw/zinc/00/16/47/927001647.db2.gz OQKQTPDJUSTXCB-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP Cc1nccn1CC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693697131 937250188 /nfs/dbraw/zinc/25/01/88/937250188.db2.gz PEIODOGQZKQYNE-HZSPNIEDSA-N 2 0 262.401 1.558 10 0 CDAERP CCC[N@H+](C)CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001568491663 1169323476 /nfs/dbraw/zinc/32/34/76/1169323476.db2.gz QVWZXHRWRCSBLB-UHFFFAOYSA-N 2 0 269.433 1.661 10 0 CDAERP CC[NH+](CC)CCCNC(=O)C1([NH+](C)C)CCCC1 ZINC001135319167 930143790 /nfs/dbraw/zinc/14/37/90/930143790.db2.gz JMTAQRPHGMHZFX-UHFFFAOYSA-N 2 0 269.433 1.709 10 0 CDAERP CCCC[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001274286839 931488007 /nfs/dbraw/zinc/48/80/07/931488007.db2.gz CHQPBMXFRYAMCW-KGLIPLIRSA-N 2 0 267.417 1.319 10 0 CDAERP COCCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001274320028 931490519 /nfs/dbraw/zinc/49/05/19/931490519.db2.gz HEUYIYDBRSXUCN-CQSZACIVSA-N 2 0 297.443 1.088 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC/C=C/C[NH2+]CCCF)C1 ZINC001274499882 931504465 /nfs/dbraw/zinc/50/44/65/931504465.db2.gz YPRZOUOHKHFYSR-NMONBKHDSA-N 2 0 299.434 1.728 10 0 CDAERP CCCCC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001274762678 931571391 /nfs/dbraw/zinc/57/13/91/931571391.db2.gz DCOUTSREEUIPEB-UONOGXRCSA-N 2 0 269.433 1.755 10 0 CDAERP CCC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001279172999 931620670 /nfs/dbraw/zinc/62/06/70/931620670.db2.gz XKXCSORTQNBLIF-HOTGVXAUSA-N 2 0 295.471 1.812 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N[C@H](C)CC[NH+](C)C)C1 ZINC001144220881 931708334 /nfs/dbraw/zinc/70/83/34/931708334.db2.gz SWGGRIQYOISGSY-KGLIPLIRSA-N 2 0 269.433 1.563 10 0 CDAERP CC/C=C\CC[NH2+]C[C@H](C)NC(=O)Cn1cncc1C ZINC001275238697 931710536 /nfs/dbraw/zinc/71/05/36/931710536.db2.gz XEBBAQGXBQZCFO-SZZPACECSA-N 2 0 278.400 1.642 10 0 CDAERP CC(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001326305091 932174969 /nfs/dbraw/zinc/17/49/69/932174969.db2.gz SFBJWJIZQWDVAX-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH2+]CCCCC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000719672733 932192317 /nfs/dbraw/zinc/19/23/17/932192317.db2.gz OOLPYHIYAMCATD-UHFFFAOYSA-N 2 0 291.439 1.967 10 0 CDAERP C[NH2+]CCCCC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000719726810 932244942 /nfs/dbraw/zinc/24/49/42/932244942.db2.gz AXIAVYXZRVHYII-CHWSQXEVSA-N 2 0 255.406 1.365 10 0 CDAERP C[NH+]1C[C@@]2(C)CN(CC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC000931309107 933536672 /nfs/dbraw/zinc/53/66/72/933536672.db2.gz WGTNYYAWJHOLGE-HOTGVXAUSA-N 2 0 265.445 1.746 10 0 CDAERP C[NH+]1CCC[C@@H]1CN1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000931315665 933539830 /nfs/dbraw/zinc/53/98/30/933539830.db2.gz ZAVGKPPZJZRTNZ-KFWWJZLASA-N 2 0 251.418 1.354 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCN1CC[NH+](CCCCCO)CC1 ZINC000931496144 933575178 /nfs/dbraw/zinc/57/51/78/933575178.db2.gz JVCDSEJOCSIQHP-INIZCTEOSA-N 2 0 283.460 1.251 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001412916462 935090428 /nfs/dbraw/zinc/09/04/28/935090428.db2.gz AWDCRZDMJFGKED-SOUVJXGZSA-N 2 0 299.459 1.142 10 0 CDAERP CC[C@H](C)C[NH2+]CC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001568699043 1169436272 /nfs/dbraw/zinc/43/62/72/1169436272.db2.gz LIQUQVPCYHTVGK-KBPBESRZSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)[NH+](CCN[C@@H]1C[C@H]([NH3+])C12CCC2)C(C)C ZINC000405307181 940980853 /nfs/dbraw/zinc/98/08/53/940980853.db2.gz MUELCRXXPUPJNO-UONOGXRCSA-N 2 0 253.434 1.965 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC2CC[NH+](C)CC2)C1 ZINC001362013954 970775816 /nfs/dbraw/zinc/77/58/16/970775816.db2.gz ZLZSFLXVEBVQJJ-LSDHHAIUSA-N 2 0 281.444 1.565 10 0 CDAERP C[NH+](C)CC1CCN(C(=O)CC[N@@H+]2CC[C@H](F)C2)CC1 ZINC001362097226 970882902 /nfs/dbraw/zinc/88/29/02/970882902.db2.gz RZCCBRNYRKNTEF-AWEZNQCLSA-N 2 0 285.407 1.221 10 0 CDAERP CC(C)C[NH2+]CCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001277356398 942418735 /nfs/dbraw/zinc/41/87/35/942418735.db2.gz RMCZGUGGPFRWQX-KBPBESRZSA-N 2 0 269.433 1.469 10 0 CDAERP CCCCC[NH2+]C[C@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CCO1 ZINC001280658441 942471824 /nfs/dbraw/zinc/47/18/24/942471824.db2.gz CLXBKTTTWPHTFG-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP CCCC[NH2+]CCN(CC)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001568791942 1169477362 /nfs/dbraw/zinc/47/73/62/1169477362.db2.gz ZSOSHEGZAWJKDP-AWEZNQCLSA-N 2 0 269.433 1.566 10 0 CDAERP CCCC[NH2+][C@@H](C)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001283629122 942952414 /nfs/dbraw/zinc/95/24/14/942952414.db2.gz FLIUJIFIJSTPSD-AWEZNQCLSA-N 2 0 281.444 1.851 10 0 CDAERP CC[N@@H+]1CCC[C@@H](CNC(=O)C2([NH+](C)C)CCCC2)C1 ZINC001362166696 970969331 /nfs/dbraw/zinc/96/93/31/970969331.db2.gz HUXOHDCIZOWSBG-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP CC1CC(C[NH+]2CC(N(C)C(=O)CCCC[NH+](C)C)C2)C1 ZINC001277686048 943335546 /nfs/dbraw/zinc/33/55/46/943335546.db2.gz ALPOJEDUVAJMBM-UHFFFAOYSA-N 2 0 295.471 1.907 10 0 CDAERP CCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H](C)C1 ZINC001277784930 943585218 /nfs/dbraw/zinc/58/52/18/943585218.db2.gz BZFFSGBXBCFNQD-KBPBESRZSA-N 2 0 269.433 1.706 10 0 CDAERP COCC[NH2+][C@H](C)CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001277981192 944447339 /nfs/dbraw/zinc/44/73/39/944447339.db2.gz XWGUNMLYNSSYAG-CQSZACIVSA-N 2 0 299.459 1.190 10 0 CDAERP CCCCCC[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001265864689 944546937 /nfs/dbraw/zinc/54/69/37/944546937.db2.gz VOTZOYMMZGWDKE-KBPBESRZSA-N 2 0 269.433 1.613 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CCC2CC2)C1 ZINC001266027126 944640736 /nfs/dbraw/zinc/64/07/36/944640736.db2.gz ZCSMXZPQOSDMRH-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC2CCC2)[C@@H]1C ZINC001479723761 971385205 /nfs/dbraw/zinc/38/52/05/971385205.db2.gz QCODPFTYGJALQH-HIFRSBDPSA-N 2 0 281.444 1.707 10 0 CDAERP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCF)C2 ZINC001278958572 948398392 /nfs/dbraw/zinc/39/83/92/948398392.db2.gz HSIITVVVHXVGLD-ZNMIVQPWSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CCF)C1 ZINC001278491845 948709248 /nfs/dbraw/zinc/70/92/48/948709248.db2.gz VMYBAWCCTLXNLM-HOCLYGCPSA-N 2 0 299.434 1.657 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]CC1CC1)C1CC1 ZINC001480028127 971544274 /nfs/dbraw/zinc/54/42/74/971544274.db2.gz JODVDEPYUQKUNY-LSDHHAIUSA-N 2 0 279.428 1.365 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001480227863 971637176 /nfs/dbraw/zinc/63/71/76/971637176.db2.gz OEXGPQMYFWQHQG-UPJWGTAASA-N 2 0 278.400 1.625 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001480231371 971640703 /nfs/dbraw/zinc/64/07/03/971640703.db2.gz CVYJARDAQWYODW-BETUJISGSA-N 2 0 255.406 1.365 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CCC[C@H](C[NH2+]C/C=C\Cl)C1 ZINC001480303619 971663198 /nfs/dbraw/zinc/66/31/98/971663198.db2.gz GNMROLCHNSITFW-KXQLTZBTSA-N 2 0 299.846 1.663 10 0 CDAERP CC[C@@H](C)C[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001480359475 971686159 /nfs/dbraw/zinc/68/61/59/971686159.db2.gz CYYSGJLDYWNANE-OWCLPIDISA-N 2 0 295.471 1.907 10 0 CDAERP C[NH+](C)CCCC(C)(C)NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC001363015945 971816507 /nfs/dbraw/zinc/81/65/07/971816507.db2.gz NCYIPPWJTNKNRE-ZIAGYGMSSA-N 2 0 299.459 1.068 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001363109442 971895004 /nfs/dbraw/zinc/89/50/04/971895004.db2.gz NXKQCSFAUITMIQ-KKUMJFAQSA-N 2 0 283.460 1.953 10 0 CDAERP OC1CCC(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC001324400858 953372058 /nfs/dbraw/zinc/37/20/58/953372058.db2.gz FVRRUSKREDOXAM-PCKAHOCUSA-N 2 0 266.429 1.955 10 0 CDAERP CC[C@H](C(=O)N[C@]1(C)CC[N@H+](CC(C)C)C1)[NH+](C)C ZINC001324661500 953502505 /nfs/dbraw/zinc/50/25/05/953502505.db2.gz NTESAWBMSSVYFV-UKRRQHHQSA-N 2 0 269.433 1.563 10 0 CDAERP C[C@H](C(=O)N[C@H]1C[N@H+](C)CC1(C)C)[NH+]1CCCCCC1 ZINC001363623095 953563332 /nfs/dbraw/zinc/56/33/32/953563332.db2.gz XWXRHHSOOZTASL-KGLIPLIRSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[C@H](C(=O)N1CC[C@@](C)(C[NH2+]CCF)C1)[NH+](C)C ZINC001324781739 953573141 /nfs/dbraw/zinc/57/31/41/953573141.db2.gz AJKQRFSCMTWQDK-HIFRSBDPSA-N 2 0 287.423 1.370 10 0 CDAERP CC[C@@H](C[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1)OC ZINC001363854889 953922004 /nfs/dbraw/zinc/92/20/04/953922004.db2.gz XJIRFFUVQFLQNZ-HNNXBMFYSA-N 2 0 284.444 1.724 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001364024290 954136663 /nfs/dbraw/zinc/13/66/63/954136663.db2.gz JCTXZFHOMSJJDT-RBSFLKMASA-N 2 0 281.444 1.707 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC ZINC001325917887 954139542 /nfs/dbraw/zinc/13/95/42/954139542.db2.gz COCCIOZLFOCTMG-KBPBESRZSA-N 2 0 267.417 1.413 10 0 CDAERP CC[N@@H+]1CCN(C(=O)NC[C@H]2CC[NH+]2C(C)(C)C)[C@@H](C)C1 ZINC001364315254 954456804 /nfs/dbraw/zinc/45/68/04/954456804.db2.gz MPDTXTPJBNTPMG-UONOGXRCSA-N 2 0 296.459 1.595 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH+]2CC=CCC2)C1 ZINC001297293363 954999259 /nfs/dbraw/zinc/99/92/59/954999259.db2.gz IKZFLZUKLVHFQU-OAHLLOKOSA-N 2 0 279.428 1.485 10 0 CDAERP CCOCC[NH2+]C1(C)CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001328040080 955169210 /nfs/dbraw/zinc/16/92/10/955169210.db2.gz XJXPAUHPWHAGFU-UHFFFAOYSA-N 2 0 299.459 1.335 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)[C@H]3CCCC[C@H]3[NH3+])C[C@H]21 ZINC001328491686 955310863 /nfs/dbraw/zinc/31/08/63/955310863.db2.gz ITTUEWOLWMOTAU-ODXJTPSBSA-N 2 0 265.401 1.090 10 0 CDAERP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCC[C@@]3(CCOC3)O2)C1 ZINC001421552560 955406222 /nfs/dbraw/zinc/40/62/22/955406222.db2.gz ABIJDXIBXMBLEG-ULQDDVLXSA-N 2 0 296.455 1.988 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](CCC(C)C)C[C@@H]2C1 ZINC001421581597 955418128 /nfs/dbraw/zinc/41/81/28/955418128.db2.gz YXWBQOTXOMBTSR-IYBDPMFKSA-N 2 0 295.471 1.765 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC2(C1)CC[NH+](C(C)C)CC2 ZINC001421680046 955473843 /nfs/dbraw/zinc/47/38/43/955473843.db2.gz HYFZDPKMCKLBDZ-UHFFFAOYSA-N 2 0 281.444 1.661 10 0 CDAERP COCC[NH2+][C@@H]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001491874700 955486799 /nfs/dbraw/zinc/48/67/99/955486799.db2.gz QCQCXKKRCPXSGA-KGLIPLIRSA-N 2 0 297.443 1.134 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@@H]1CCC[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001491894226 955495186 /nfs/dbraw/zinc/49/51/86/955495186.db2.gz NHTVASSFNWCFOK-HMJDLUCASA-N 2 0 299.846 1.852 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)CC[NH2+]CCC(F)(F)F ZINC001493751804 972109583 /nfs/dbraw/zinc/10/95/83/972109583.db2.gz DJSIRZPYJSWUDK-UHFFFAOYSA-N 2 0 283.338 1.329 10 0 CDAERP CCC[N@H+](C)CCC(=O)NC1(CO)CC[NH+](C(C)C)CC1 ZINC001422199169 955836418 /nfs/dbraw/zinc/83/64/18/955836418.db2.gz VXGUCYOQJSIUDX-UHFFFAOYSA-N 2 0 299.459 1.070 10 0 CDAERP CCCC[NH+]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001365625382 956243900 /nfs/dbraw/zinc/24/39/00/956243900.db2.gz DHZHOXMLZHQRGF-OAHLLOKOSA-N 2 0 279.428 1.273 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccns1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001422735347 956296788 /nfs/dbraw/zinc/29/67/88/956296788.db2.gz QAFZKMBMTFVMEN-NWDGAFQWSA-N 2 0 296.440 1.079 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[N@H+](CC2CCC2)CC1(C)C)[NH+](C)C ZINC001422783440 956347126 /nfs/dbraw/zinc/34/71/26/956347126.db2.gz AFDKSTWCCWZLQJ-GJZGRUSLSA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001365834720 956396505 /nfs/dbraw/zinc/39/65/05/956396505.db2.gz QHTFFKYQQXDMEK-SYQHCUMBSA-N 2 0 285.407 1.313 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CCOC2CCC2)C1)[NH+](C)C ZINC001365986200 956493824 /nfs/dbraw/zinc/49/38/24/956493824.db2.gz OLKDYLXOMIXYMT-DZGCQCFKSA-N 2 0 297.443 1.086 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]([NH2+]CC2CCC2)C2CC2)C1 ZINC001366063288 956541509 /nfs/dbraw/zinc/54/15/09/956541509.db2.gz NHJTVMAWVRMMSL-GOEBONIOSA-N 2 0 293.455 1.613 10 0 CDAERP Cc1nocc1C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001366105067 956563481 /nfs/dbraw/zinc/56/34/81/956563481.db2.gz ZOOHMRPIVUVNLK-AWEZNQCLSA-N 2 0 294.399 1.014 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001423104546 956589763 /nfs/dbraw/zinc/58/97/63/956589763.db2.gz NDOYHIKYOFZZIH-AWEZNQCLSA-N 2 0 283.460 1.811 10 0 CDAERP CCC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001330823319 956652029 /nfs/dbraw/zinc/65/20/29/956652029.db2.gz WCNKZHKCMWJHSJ-DZGCQCFKSA-N 2 0 281.444 1.613 10 0 CDAERP CCC(CC)C[N@@H+]1CC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001423185015 956652527 /nfs/dbraw/zinc/65/25/27/956652527.db2.gz ZWZFJIZEACVPNQ-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC[C@@H](C)F)CC1 ZINC001423307210 956714789 /nfs/dbraw/zinc/71/47/89/956714789.db2.gz KLSCHBBTZVUOSX-ZIAGYGMSSA-N 2 0 299.434 1.847 10 0 CDAERP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+]Cc1ccccc1F ZINC001366487146 956868283 /nfs/dbraw/zinc/86/82/83/956868283.db2.gz LVLWTPWZLHJNCD-CYBMUJFWSA-N 2 0 295.402 1.762 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N[C@H](C[NH2+]CC2CC2)C(C)(C)C)C1 ZINC001423609978 956903510 /nfs/dbraw/zinc/90/35/10/956903510.db2.gz AKLDDXAXTHZLCB-HUUCEWRRSA-N 2 0 295.471 1.859 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C[NH2+]CCF)C1CC1 ZINC001331358280 956989751 /nfs/dbraw/zinc/98/97/51/956989751.db2.gz BIEMEILDBVOGQK-LSDHHAIUSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001331407728 957028942 /nfs/dbraw/zinc/02/89/42/957028942.db2.gz SZZSYHDAXRWWHO-KGLIPLIRSA-N 2 0 267.417 1.483 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCCF ZINC001424055462 957101188 /nfs/dbraw/zinc/10/11/88/957101188.db2.gz SYBDYMRXLSCFLR-CABCVRRESA-N 2 0 299.434 1.753 10 0 CDAERP CC[C@H](F)C[NH2+]C1(CNC(=O)CC[NH+](C)C)CCC1 ZINC001424196458 957151694 /nfs/dbraw/zinc/15/16/94/957151694.db2.gz KIIOGDCHJJKKID-LBPRGKRZSA-N 2 0 273.396 1.315 10 0 CDAERP CCCCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001317105916 957273644 /nfs/dbraw/zinc/27/36/44/957273644.db2.gz ZCDVUVPXTQITSW-ZNMIVQPWSA-N 2 0 297.443 1.134 10 0 CDAERP [NH3+]C[C@H](NC(=O)[C@H]1CCCC[C@H]1[NH3+])C1CCCC1 ZINC001331889239 957316972 /nfs/dbraw/zinc/31/69/72/957316972.db2.gz NZWKZCCHJPBQQI-XQQFMLRXSA-N 2 0 253.390 1.138 10 0 CDAERP CC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](CCCF)C1)[NH+](C)C ZINC001367050381 957371313 /nfs/dbraw/zinc/37/13/13/957371313.db2.gz NERNJTRKZYWWBA-CHWSQXEVSA-N 2 0 273.396 1.219 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001367058834 957373696 /nfs/dbraw/zinc/37/36/96/957373696.db2.gz LILKWYJESYIEKR-STQMWFEESA-N 2 0 273.396 1.219 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)CC[C@@H]1CCCO1 ZINC001425075541 957464753 /nfs/dbraw/zinc/46/47/53/957464753.db2.gz FIZSPDMCDKTIKU-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)CC)C[C@@H]2C1 ZINC001425385175 957523450 /nfs/dbraw/zinc/52/34/50/957523450.db2.gz UQTQMMLADXLEIN-ARFHVFGLSA-N 2 0 295.471 1.955 10 0 CDAERP CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001425584460 957574767 /nfs/dbraw/zinc/57/47/67/957574767.db2.gz XXIKRZKMDFEFQB-UKRRQHHQSA-N 2 0 281.444 1.850 10 0 CDAERP C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)[NH2+]CC1CCCC1 ZINC001425633221 957587892 /nfs/dbraw/zinc/58/78/92/957587892.db2.gz RLMKLTGDICYIQM-AWEZNQCLSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[NH+]1CCC(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001367212863 957847729 /nfs/dbraw/zinc/84/77/29/957847729.db2.gz HQBJYOFOUPOGOC-UHFFFAOYSA-N 2 0 293.455 1.711 10 0 CDAERP CN(C(=O)CC[NH+](C)C)C1CC([NH2+]C/C=C/Cl)C1 ZINC001426220255 957849470 /nfs/dbraw/zinc/84/94/70/957849470.db2.gz VISGNFMATKAKTK-GQCTYLIASA-N 2 0 273.808 1.270 10 0 CDAERP CCCCC[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001318146569 957944194 /nfs/dbraw/zinc/94/41/94/957944194.db2.gz SBGXVKNQEXWDLW-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](CCCCCF)C2)C1 ZINC001318172425 957955337 /nfs/dbraw/zinc/95/53/37/957955337.db2.gz AJACSQLLBXNJQU-CQSZACIVSA-N 2 0 285.407 1.126 10 0 CDAERP CC[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC(C)C ZINC001318570797 958176880 /nfs/dbraw/zinc/17/68/80/958176880.db2.gz RLZFEJHZFNXLDJ-KGLIPLIRSA-N 2 0 269.433 1.469 10 0 CDAERP CCC[NH2+][C@@H](CC)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001318594555 958190629 /nfs/dbraw/zinc/19/06/29/958190629.db2.gz IUORPLFNJKKOFC-STQMWFEESA-N 2 0 255.406 1.223 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH2+]C(C)(C)C)[C@@H](C)C1 ZINC001318688628 958220590 /nfs/dbraw/zinc/22/05/90/958220590.db2.gz LHXOGDRELPYLJS-QWHCGFSZSA-N 2 0 269.433 1.563 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@](C)(C[NH2+]CCCF)C1CC1 ZINC001318689211 958231362 /nfs/dbraw/zinc/23/13/62/958231362.db2.gz WQVPQTZNROGKIX-DZGCQCFKSA-N 2 0 285.407 1.315 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H]2C[NH2+]CCCF)C1 ZINC001319124415 958383634 /nfs/dbraw/zinc/38/36/34/958383634.db2.gz LNWZRRYEXLICTP-UONOGXRCSA-N 2 0 285.407 1.268 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C[NH2+]CCF ZINC001319195096 958426632 /nfs/dbraw/zinc/42/66/32/958426632.db2.gz FJHHFJMUYISXAO-ZFWWWQNUSA-N 2 0 299.434 1.705 10 0 CDAERP CC(C)[C@H](C(=O)N[C@@H](C)C[N@H+](C)C(C)C)[NH+]1CCCC1 ZINC001367862327 958440185 /nfs/dbraw/zinc/44/01/85/958440185.db2.gz NXVYIJSXVYXHPW-LSDHHAIUSA-N 2 0 283.460 1.952 10 0 CDAERP COCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001319486796 958588610 /nfs/dbraw/zinc/58/86/10/958588610.db2.gz RQOVAYOQXGJFNY-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP CN(C[C@@H]1CC[N@@H+]1CCCF)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001368431582 958840267 /nfs/dbraw/zinc/84/02/67/958840267.db2.gz KBPNQJSSJGFEIA-KBPBESRZSA-N 2 0 285.407 1.221 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001368460729 958868257 /nfs/dbraw/zinc/86/82/57/958868257.db2.gz XUBZBNSJLQCELE-BZUAXINKSA-N 2 0 295.471 1.953 10 0 CDAERP CCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001368606196 958992486 /nfs/dbraw/zinc/99/24/86/958992486.db2.gz MWYXTIPCNKWDQJ-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1CC ZINC001368680776 959036562 /nfs/dbraw/zinc/03/65/62/959036562.db2.gz JAPZPUAOPLUHIR-LSDHHAIUSA-N 2 0 281.444 1.850 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@@H](C[NH2+]C/C=C\Cl)C2CC2)CC1 ZINC001569317446 1169763134 /nfs/dbraw/zinc/76/31/34/1169763134.db2.gz YVEJVEBMMBNUQW-SYAFZNNESA-N 2 0 299.846 1.565 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(C)C ZINC001495109524 972411358 /nfs/dbraw/zinc/41/13/58/972411358.db2.gz VKCJVJFDIQKIKC-QWHCGFSZSA-N 2 0 255.406 1.079 10 0 CDAERP CC[C@H](C(=O)N(CC)CC[NH2+]Cc1ocnc1C)[NH+](C)C ZINC001320900983 959448744 /nfs/dbraw/zinc/44/87/44/959448744.db2.gz JRLNZLJNTZVGOL-CYBMUJFWSA-N 2 0 296.415 1.261 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@@H]1[C@H]2C[NH+](CCC(C)C)C[C@H]21 ZINC001369142518 959482139 /nfs/dbraw/zinc/48/21/39/959482139.db2.gz WCVTXNCKGVABDN-PHZGNYQRSA-N 2 0 295.471 1.668 10 0 CDAERP CC(C)[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCC1CC1 ZINC001369201277 959526943 /nfs/dbraw/zinc/52/69/43/959526943.db2.gz ZYONQSZUKHQVGM-JKSUJKDBSA-N 2 0 295.471 1.859 10 0 CDAERP CC[C@@H](F)C[NH2+][C@@H](C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001369253353 959583125 /nfs/dbraw/zinc/58/31/25/959583125.db2.gz XVFYNXQUWXOUQH-QWHCGFSZSA-N 2 0 287.423 1.655 10 0 CDAERP Cc1cc(C[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)[C@H]2C)on1 ZINC001369388482 959656587 /nfs/dbraw/zinc/65/65/87/959656587.db2.gz HVCKOLJHCBEMBP-GXTWGEPZSA-N 2 0 294.399 1.014 10 0 CDAERP Cc1ncoc1C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001369395511 959663437 /nfs/dbraw/zinc/66/34/37/959663437.db2.gz RAXOGXSLNNDHNF-QWHCGFSZSA-N 2 0 294.399 1.014 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001370458102 960114151 /nfs/dbraw/zinc/11/41/51/960114151.db2.gz NLVYEZLPNXAMHP-YYFQZIEXSA-N 2 0 299.434 1.702 10 0 CDAERP CCC[NH2+]CC[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001495389217 972484708 /nfs/dbraw/zinc/48/47/08/972484708.db2.gz WINMBKHKIYSQOF-HOTGVXAUSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC001433625265 960464409 /nfs/dbraw/zinc/46/44/09/960464409.db2.gz IHWOHLWXJWKBPV-HNNXBMFYSA-N 2 0 293.455 1.707 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+]2CCCCCF)C1 ZINC001323303056 960628907 /nfs/dbraw/zinc/62/89/07/960628907.db2.gz RDMOQUUUPHUSIY-HUUCEWRRSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001371474230 972524277 /nfs/dbraw/zinc/52/42/77/972524277.db2.gz MCKJORSGKVGCHZ-HUUCEWRRSA-N 2 0 283.460 2.000 10 0 CDAERP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C[C@H]21 ZINC001433983782 960842778 /nfs/dbraw/zinc/84/27/78/960842778.db2.gz JWCKYOYFCRXZKO-ZSAUSMIDSA-N 2 0 279.428 1.125 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001418701210 960923248 /nfs/dbraw/zinc/92/32/48/960923248.db2.gz VTMCAUKPUGMPER-HNNXBMFYSA-N 2 0 283.460 1.811 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@@H+]1CCF ZINC001418745070 960969866 /nfs/dbraw/zinc/96/98/66/960969866.db2.gz GYDSQEFXRXLTNR-YJNKXOJESA-N 2 0 297.418 1.076 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@@H]1C[C@H]([NH+](C)C)C1(C)C ZINC001434117761 961001826 /nfs/dbraw/zinc/00/18/26/961001826.db2.gz BMEADFIRZZIXNR-RQJABVFESA-N 2 0 281.444 1.704 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CC[C@H](C)F)C1 ZINC001418959444 961193075 /nfs/dbraw/zinc/19/30/75/961193075.db2.gz VIBYZRDAEJROKI-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@H](F)CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001419094970 961365680 /nfs/dbraw/zinc/36/56/80/961365680.db2.gz OQMPCJRNZSCUMR-UONOGXRCSA-N 2 0 299.434 1.799 10 0 CDAERP O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@H]([NH2+]C/C=C\Cl)C1 ZINC001419367323 961635480 /nfs/dbraw/zinc/63/54/80/961635480.db2.gz AFYZZRLVIQPEGL-TYEPVZGHSA-N 2 0 297.830 1.271 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001419512080 961779573 /nfs/dbraw/zinc/77/95/73/961779573.db2.gz QQJYZLCUKWWBTF-RWMBFGLXSA-N 2 0 273.396 1.313 10 0 CDAERP Cc1ncoc1C[NH2+]C[C@@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001419546686 961807198 /nfs/dbraw/zinc/80/71/98/961807198.db2.gz ZXCNCMICWXXIGN-GFCCVEGCSA-N 2 0 296.415 1.165 10 0 CDAERP C[C@@H](F)CC[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001420050207 962419791 /nfs/dbraw/zinc/41/97/91/962419791.db2.gz MVQLBGWWBCNAGZ-HUUCEWRRSA-N 2 0 299.434 1.753 10 0 CDAERP C[C@H](C[NH2+]CC1CC2(CCC2)C1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001420275088 962666070 /nfs/dbraw/zinc/66/60/70/962666070.db2.gz XZKMAOWQBCVIJU-UKRRQHHQSA-N 2 0 293.455 1.755 10 0 CDAERP CC[NH2+][C@@H]1CCC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001437326863 962802568 /nfs/dbraw/zinc/80/25/68/962802568.db2.gz IVSNFZIACKFDFM-KGLIPLIRSA-N 2 0 297.443 1.134 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001420377623 962813899 /nfs/dbraw/zinc/81/38/99/962813899.db2.gz QQJYEQWBNWQBPI-CABCVRRESA-N 2 0 283.460 1.857 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NCC[NH+](CCC(C)(C)C)C2CC2)C1 ZINC001437817741 963196874 /nfs/dbraw/zinc/19/68/74/963196874.db2.gz HWNCAEWJURQDAB-AWEZNQCLSA-N 2 0 295.471 1.955 10 0 CDAERP CCCN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](CCC)C1 ZINC001420822235 963274928 /nfs/dbraw/zinc/27/49/28/963274928.db2.gz DEKHAWUZQZDSNM-HNNXBMFYSA-N 2 0 281.444 1.805 10 0 CDAERP C[N@H+](CCC1CC1)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001437992741 963276431 /nfs/dbraw/zinc/27/64/31/963276431.db2.gz SFZORALPAWWRFH-CVEARBPZSA-N 2 0 293.455 1.519 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001420882235 963329558 /nfs/dbraw/zinc/32/95/58/963329558.db2.gz AXNHRJMUGBTIRA-CQSZACIVSA-N 2 0 279.428 1.319 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001420888674 963331404 /nfs/dbraw/zinc/33/14/04/963331404.db2.gz UMCBVYUUTLDERH-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)[NH+](C)CC(=O)N(C)[C@@H]1CC[N@@H+](CC[C@H](C)F)C1 ZINC001438253251 963386767 /nfs/dbraw/zinc/38/67/67/963386767.db2.gz IRLBNHKLXPMWCR-UONOGXRCSA-N 2 0 287.423 1.607 10 0 CDAERP CC[C@@H](CNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH2+]CC(C)C ZINC001438359051 963430437 /nfs/dbraw/zinc/43/04/37/963430437.db2.gz OQUYOTSCTYTCSX-HOCLYGCPSA-N 2 0 281.444 1.613 10 0 CDAERP Cc1ccc(C[NH+]2CC(CNC(=O)CC[NH+](C)C)C2)cc1 ZINC001421170434 963482725 /nfs/dbraw/zinc/48/27/25/963482725.db2.gz KBZCXNCZALNOKI-UHFFFAOYSA-N 2 0 289.423 1.495 10 0 CDAERP C[C@H](F)CC[NH2+]C1(CNC(=O)CC[NH+](C)C)CCCC1 ZINC001438604948 963494713 /nfs/dbraw/zinc/49/47/13/963494713.db2.gz ANJHHUIAAHTAAN-ZDUSSCGKSA-N 2 0 287.423 1.705 10 0 CDAERP C[C@@H](C[N@H+](C)CC1CC2(CCC2)C1)NC(=O)CC[NH+](C)C ZINC001439365981 963739479 /nfs/dbraw/zinc/73/94/79/963739479.db2.gz RBPATDAUTOMFMT-AWEZNQCLSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]CCC(F)(F)F)C1 ZINC001440349620 963990626 /nfs/dbraw/zinc/99/06/26/963990626.db2.gz HAPAVAIEDZDOLY-XYPYZODXSA-N 2 0 295.349 1.375 10 0 CDAERP CN(CCC[N@H+](C)Cc1ccsc1)C(=O)CC[NH+](C)C ZINC001440457937 964057105 /nfs/dbraw/zinc/05/71/05/964057105.db2.gz DTGFYSQLCZVVTI-UHFFFAOYSA-N 2 0 297.468 1.980 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H]1C[N@H+](C)CC1CCC1 ZINC001440733841 964150474 /nfs/dbraw/zinc/15/04/74/964150474.db2.gz JKLVPVMJVTYEPK-HNNXBMFYSA-N 2 0 281.444 1.661 10 0 CDAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)CC1CC(C)(C)C1 ZINC001441022090 964329830 /nfs/dbraw/zinc/32/98/30/964329830.db2.gz JLTMCBGPBKXTTP-AWEZNQCLSA-N 2 0 295.471 1.955 10 0 CDAERP CO[C@H](C)C[NH2+]CC1(NC(=O)CC[NH+](C)C)CCCCC1 ZINC001441102650 964365629 /nfs/dbraw/zinc/36/56/29/964365629.db2.gz LNUFRVFKLYUANG-CQSZACIVSA-N 2 0 299.459 1.382 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]C/C=C/Cl)CC1 ZINC001441728385 964667339 /nfs/dbraw/zinc/66/73/39/964667339.db2.gz CQUAKRWJONLAOO-NLVDTCAJSA-N 2 0 299.846 1.850 10 0 CDAERP Cc1ccncc1C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001441789803 964714491 /nfs/dbraw/zinc/71/44/91/964714491.db2.gz QKTVPFQKOXHUOJ-ZFWWWQNUSA-N 2 0 290.411 1.079 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001441844073 964740987 /nfs/dbraw/zinc/74/09/87/964740987.db2.gz QLWJSASRXPNGJN-VXGBXAGGSA-N 2 0 273.396 1.313 10 0 CDAERP CC(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001442851353 965250346 /nfs/dbraw/zinc/25/03/46/965250346.db2.gz TUDHEYXPMWEAOC-OAHLLOKOSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)CC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001442851351 965250854 /nfs/dbraw/zinc/25/08/54/965250854.db2.gz TUDHEYXPMWEAOC-HNNXBMFYSA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@H](C)C[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001443329925 965442949 /nfs/dbraw/zinc/44/29/49/965442949.db2.gz CZKSATVFCJPWMX-HOTGVXAUSA-N 2 0 295.471 1.909 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001443850390 965632895 /nfs/dbraw/zinc/63/28/95/965632895.db2.gz DLPLUXISOCBWOS-CABCVRRESA-N 2 0 283.460 1.907 10 0 CDAERP CC1CC(C[NH+]2CCC(N(C)C(=O)CC[NH+](C)C)CC2)C1 ZINC001479891897 965749905 /nfs/dbraw/zinc/74/99/05/965749905.db2.gz GXLJPQDVZDVMSN-UHFFFAOYSA-N 2 0 295.471 1.907 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001444171387 965752660 /nfs/dbraw/zinc/75/26/60/965752660.db2.gz CVXUVLPYHSLVDY-LXTVHRRPSA-N 2 0 299.434 1.703 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)C[NH2+]CC2CC2)CC[N@@H+]1C ZINC001444315337 965792833 /nfs/dbraw/zinc/79/28/33/965792833.db2.gz XUPPHJGRYHMRPW-VHDGCEQUSA-N 2 0 281.444 1.469 10 0 CDAERP CC[NH+](CC)CC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001348341208 965941604 /nfs/dbraw/zinc/94/16/04/965941604.db2.gz ZZJQGGVUSVPACA-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@H]1C[C@@H](C[N@H+](C)CCN(C)C(=O)CC[NH+](C)C)CCO1 ZINC001445024921 966064476 /nfs/dbraw/zinc/06/44/76/966064476.db2.gz GBLQQJRAUNHFHG-GJZGRUSLSA-N 2 0 299.459 1.143 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH+](C)CC1CC(C)C1 ZINC001445090951 966096994 /nfs/dbraw/zinc/09/69/94/966096994.db2.gz YWMDCIWAUWVKAE-UHFFFAOYSA-N 2 0 283.460 1.763 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001445612285 966255817 /nfs/dbraw/zinc/25/58/17/966255817.db2.gz KJSFVLYFJJQONX-AAEUAGOBSA-N 2 0 273.396 1.171 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001445612293 966256202 /nfs/dbraw/zinc/25/62/02/966256202.db2.gz KJSFVLYFJJQONX-WCQYABFASA-N 2 0 273.396 1.171 10 0 CDAERP C[NH2+]Cc1cccc(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC001349361556 966326789 /nfs/dbraw/zinc/32/67/89/966326789.db2.gz BVNYTKKUAPRTHG-KBPBESRZSA-N 2 0 261.369 1.862 10 0 CDAERP Cc1nc[nH]c1CC(=O)N[C@@H](C)C[N@@H+](C)CC[C@@H](C)F ZINC001445847483 966363976 /nfs/dbraw/zinc/36/39/76/966363976.db2.gz ATMYFJMCQYOQTJ-MNOVXSKESA-N 2 0 284.379 1.445 10 0 CDAERP CO[C@H](C)C[N@H+](C)CCCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001447371699 966769780 /nfs/dbraw/zinc/76/97/80/966769780.db2.gz UVTPFVQGKDPEDP-CABCVRRESA-N 2 0 299.459 1.143 10 0 CDAERP CC(C)CC[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001447932223 966933768 /nfs/dbraw/zinc/93/37/68/966933768.db2.gz LYWYPQZJJZVVPK-ZIAGYGMSSA-N 2 0 271.449 1.856 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001480306412 967365174 /nfs/dbraw/zinc/36/51/74/967365174.db2.gz ZNKNFWZOOFXPTD-GJZGRUSLSA-N 2 0 281.444 1.422 10 0 CDAERP CO[C@H](C)C[N@H+](C)CCN(C(=O)[C@@H]1CC[NH+](C)C1)C(C)C ZINC001449280759 967417872 /nfs/dbraw/zinc/41/78/72/967417872.db2.gz PTDTUWDFMVWBBQ-HUUCEWRRSA-N 2 0 299.459 1.142 10 0 CDAERP CO[C@H](C)C[N@H+](C)CCN(C(=O)[C@H]1CC[NH+](C)C1)C(C)C ZINC001449280750 967418451 /nfs/dbraw/zinc/41/84/51/967418451.db2.gz PTDTUWDFMVWBBQ-CABCVRRESA-N 2 0 299.459 1.142 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)[NH2+]C(C)C)C1 ZINC001480520367 968073159 /nfs/dbraw/zinc/07/31/59/968073159.db2.gz BAOUJIGWGWWSOM-UONOGXRCSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NC[C@H]2C[NH+]3CCC2CC3)CC[N@@H+]1C ZINC001456757362 969041628 /nfs/dbraw/zinc/04/16/28/969041628.db2.gz IIHXSIWGJYGXCX-QEJZJMRPSA-N 2 0 279.428 1.175 10 0 CDAERP C[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CCC1 ZINC001457819877 969225368 /nfs/dbraw/zinc/22/53/68/969225368.db2.gz KLNBQALQJJSSLY-OLZOCXBDSA-N 2 0 267.417 1.365 10 0 CDAERP C[N@H+](CCCNC(=[NH2+])NC[C@@H]1CCCO1)C1CCCCC1 ZINC000848987807 969382189 /nfs/dbraw/zinc/38/21/89/969382189.db2.gz CSJRCOMWCQRUCN-HNNXBMFYSA-N 2 0 296.459 1.934 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC001469558369 970255210 /nfs/dbraw/zinc/25/52/10/970255210.db2.gz RKWSGGZFJCGUPD-KFWWJZLASA-N 2 0 281.444 1.563 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC001470105297 970289728 /nfs/dbraw/zinc/28/97/28/970289728.db2.gz GMSXFHBIKIZOKT-CABCVRRESA-N 2 0 283.460 1.811 10 0 CDAERP CC1CC[NH+](CCNC(=O)CC[N@@H+]2CC[C@@H](F)C2)CC1 ZINC001361804124 970548961 /nfs/dbraw/zinc/54/89/61/970548961.db2.gz OBCIQGNFAAAWHG-CQSZACIVSA-N 2 0 285.407 1.268 10 0 CDAERP C[N@H+](CC(=O)N1CCC[C@@H]1C[NH2+]CCC1CC1)C1CCC1 ZINC001495562245 972540464 /nfs/dbraw/zinc/54/04/64/972540464.db2.gz OOKKOCOOFURRFS-MRXNPFEDSA-N 2 0 293.455 1.851 10 0 CDAERP CC(C)C[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001371765951 972631536 /nfs/dbraw/zinc/63/15/36/972631536.db2.gz XCCZRGCUJAUKGH-HUUCEWRRSA-N 2 0 283.460 2.000 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1CCC[N@@H+]1CC1CC1 ZINC001372511985 972990745 /nfs/dbraw/zinc/99/07/45/972990745.db2.gz QRJPSUSCYXGXPD-GJZGRUSLSA-N 2 0 299.434 1.657 10 0 CDAERP C[C@@H](CC[NH2+]CC1CC1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001497269037 973269866 /nfs/dbraw/zinc/26/98/66/973269866.db2.gz SUVYNXYMFWSKSS-ZDUSSCGKSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NCc1ccc2c[nH+]cn2c1 ZINC001417907038 973468261 /nfs/dbraw/zinc/46/82/61/973468261.db2.gz AESSLZXJSWKUAR-LBPRGKRZSA-N 2 0 274.368 1.538 10 0 CDAERP COCCC[NH2+]C[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001497926690 973579673 /nfs/dbraw/zinc/57/96/73/973579673.db2.gz JFJCGVWCIJKXRF-CABCVRRESA-N 2 0 299.459 1.382 10 0 CDAERP CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)[NH2+]CC1CCOCC1 ZINC001373763120 973629721 /nfs/dbraw/zinc/62/97/21/973629721.db2.gz OTPXPSFNBRQIPN-HUUCEWRRSA-N 2 0 299.459 1.238 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1cnccc1C)[NH+](C)C ZINC001418234338 973685600 /nfs/dbraw/zinc/68/56/00/973685600.db2.gz IGUPVYANBGTAJK-UKRRQHHQSA-N 2 0 292.427 1.325 10 0 CDAERP CC(C)[NH2+][C@H](C)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001418277414 973720915 /nfs/dbraw/zinc/72/09/15/973720915.db2.gz WBBCMXYODQBPNL-IUODEOHRSA-N 2 0 287.423 1.702 10 0 CDAERP C[N@H+](CCNC(=O)CC1CC[NH+](C)CC1)CC1CCCC1 ZINC001418500437 973907156 /nfs/dbraw/zinc/90/71/56/973907156.db2.gz DLDSLTYMMZFSRQ-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CCC(CC)C[NH2+]C[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001374810453 974134745 /nfs/dbraw/zinc/13/47/45/974134745.db2.gz LGCQTLCPJRIZQL-ZIAGYGMSSA-N 2 0 283.460 1.859 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCCF)[C@@H]1CC)[NH+](C)C ZINC001375605543 974430564 /nfs/dbraw/zinc/43/05/64/974430564.db2.gz DPIHZXBFZVTIIH-MJBXVCDLSA-N 2 0 287.423 1.655 10 0 CDAERP CC(C)C[NH+]1CC(N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001375687057 974454654 /nfs/dbraw/zinc/45/46/54/974454654.db2.gz JEXMSMZDCDASTQ-AWEZNQCLSA-N 2 0 281.444 1.659 10 0 CDAERP CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001501651062 974617601 /nfs/dbraw/zinc/61/76/01/974617601.db2.gz LHOGBQWPWOYKSQ-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP CCC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001502017544 974674665 /nfs/dbraw/zinc/67/46/65/974674665.db2.gz NSIJVXJUGNWYOQ-ZDUSSCGKSA-N 2 0 267.417 1.367 10 0 CDAERP CC(C)=CC[N@@H+](C)CCCN(C)C(=O)CC[NH+](C)C ZINC001502371219 974728736 /nfs/dbraw/zinc/72/87/36/974728736.db2.gz DEPMGINRMGMLKV-UHFFFAOYSA-N 2 0 269.433 1.685 10 0 CDAERP C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+]CCCF ZINC001502745039 974774619 /nfs/dbraw/zinc/77/46/19/974774619.db2.gz OKEIGRLTYRFADM-DZGCQCFKSA-N 2 0 299.434 1.514 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H]([N@H+](C)C/C=C/Cl)C1 ZINC001376981726 974839153 /nfs/dbraw/zinc/83/91/53/974839153.db2.gz RNIBGHRTQJUVEP-LJLILKBBSA-N 2 0 287.835 1.613 10 0 CDAERP CC[C@H](C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001377406480 975009641 /nfs/dbraw/zinc/00/96/41/975009641.db2.gz XEIWRTABVXDVDR-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001377456737 975034586 /nfs/dbraw/zinc/03/45/86/975034586.db2.gz BOUMRZMAYFIOGI-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+](C[C@H](F)CC)C1 ZINC001377462398 975037757 /nfs/dbraw/zinc/03/77/57/975037757.db2.gz QBGCTSNPCMJVKG-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP Cc1cc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)on1 ZINC001377913140 975172754 /nfs/dbraw/zinc/17/27/54/975172754.db2.gz OURFTURADZIOQL-CHWSQXEVSA-N 2 0 296.415 1.306 10 0 CDAERP CC(C)[NH+]1CC([C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001506655934 975198152 /nfs/dbraw/zinc/19/81/52/975198152.db2.gz PKJZLVJOAGVXQK-CHWSQXEVSA-N 2 0 267.417 1.173 10 0 CDAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+](C)CC1CCCC1 ZINC001378148407 975261181 /nfs/dbraw/zinc/26/11/81/975261181.db2.gz VLDGRSRWLHTDNJ-HUUCEWRRSA-N 2 0 295.471 1.955 10 0 CDAERP CCCC[NH2+][C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001506992913 975287196 /nfs/dbraw/zinc/28/71/96/975287196.db2.gz VOEDLBYHZNPARD-LSDHHAIUSA-N 2 0 283.460 1.859 10 0 CDAERP CC[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]C/C=C/Cl ZINC001378316430 975328734 /nfs/dbraw/zinc/32/87/34/975328734.db2.gz KFECLHWYTDLZOX-LOWFTVKWSA-N 2 0 287.835 1.565 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CN(C)C(=O)CCC[NH+](C)C ZINC001507114505 975341790 /nfs/dbraw/zinc/34/17/90/975341790.db2.gz IOVIIQJRYHSODT-AWEZNQCLSA-N 2 0 269.433 1.731 10 0 CDAERP CCCCCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001507152605 975356792 /nfs/dbraw/zinc/35/67/92/975356792.db2.gz DLDNBLLLNYMPME-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]CC[C@@H]1CCOC1 ZINC001507163742 975358683 /nfs/dbraw/zinc/35/86/83/975358683.db2.gz VQDCOQHRJCRALK-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)=CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001507290657 975400490 /nfs/dbraw/zinc/40/04/90/975400490.db2.gz PBEVSEKCGYABGH-GOEBONIOSA-N 2 0 293.455 1.873 10 0 CDAERP CO[C@H](C)C[NH2+]C[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001378584630 975405295 /nfs/dbraw/zinc/40/52/95/975405295.db2.gz GDKNMRKTLQCXJR-UONOGXRCSA-N 2 0 299.459 1.238 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@H]1CC[NH+](CCCF)C1 ZINC001404506204 975411503 /nfs/dbraw/zinc/41/15/03/975411503.db2.gz WOZCMXYTFZGUFY-LSDHHAIUSA-N 2 0 299.434 1.659 10 0 CDAERP Cc1cc(C[NH2+][C@H]2C[C@H](C)N(C(=O)CC[NH+](C)C)C2)on1 ZINC001507318607 975413408 /nfs/dbraw/zinc/41/34/08/975413408.db2.gz IZKMJNYZLPSQJN-STQMWFEESA-N 2 0 294.399 1.014 10 0 CDAERP CC[C@@H](C(=O)N[C@@]12CCC[C@@H]1[N@H+](CCCF)CC2)[NH+](C)C ZINC001507350243 975426599 /nfs/dbraw/zinc/42/65/99/975426599.db2.gz LAKPXBOALUQOFQ-OFQRWUPVSA-N 2 0 299.434 1.799 10 0 CDAERP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CC2)CC1(C)C)[NH+](C)C ZINC001378656861 975432087 /nfs/dbraw/zinc/43/20/87/975432087.db2.gz VWVRSSHCBPOXKB-UONOGXRCSA-N 2 0 281.444 1.563 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N[C@](C)(C[NH2+]CC2CC2)C2CC2)C1 ZINC001401027338 975437220 /nfs/dbraw/zinc/43/72/20/975437220.db2.gz RBRMRAHGCLXTKK-RHSMWYFYSA-N 2 0 293.455 1.613 10 0 CDAERP CN(C[C@@H]1CC[N@@H+]1CCC1CC1)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001397037987 975444106 /nfs/dbraw/zinc/44/41/06/975444106.db2.gz DTOYIFAKLOJFAD-CVEARBPZSA-N 2 0 293.455 1.661 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]([NH2+]C/C=C/Cl)C2)C1 ZINC001404647288 975447933 /nfs/dbraw/zinc/44/79/33/975447933.db2.gz ZPGCLUYLHLFEKX-PXHZSSHCSA-N 2 0 299.846 1.661 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC2CCC2)CC[N@@H+]1C ZINC001401105585 975468561 /nfs/dbraw/zinc/46/85/61/975468561.db2.gz KHFQZPKRVKVYEZ-CWRNSKLLSA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]CCF)C1 ZINC001507428355 975468837 /nfs/dbraw/zinc/46/88/37/975468837.db2.gz PGDCUUKUDACJFB-QWHCGFSZSA-N 2 0 273.396 1.171 10 0 CDAERP Cc1cc(C[NH2+]C[C@@H](C)CNC(=O)CC[NH+](C)C)cs1 ZINC001401127929 975477001 /nfs/dbraw/zinc/47/70/01/975477001.db2.gz NWNDSKCHBSNZMO-GFCCVEGCSA-N 2 0 297.468 1.850 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CC1CC1 ZINC001378786344 975492938 /nfs/dbraw/zinc/49/29/38/975492938.db2.gz IVXSDHGVBQRKQK-GDBMZVCRSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@@H](F)CC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001388555229 975505958 /nfs/dbraw/zinc/50/59/58/975505958.db2.gz GJDDHTKVVSKJGH-MGPQQGTHSA-N 2 0 287.423 1.513 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1cccnc1 ZINC001401267793 975554994 /nfs/dbraw/zinc/55/49/94/975554994.db2.gz VXVSDVXHANJLMQ-CQSZACIVSA-N 2 0 292.427 1.358 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)C1CC[NH+](CC2CCC2)CC1 ZINC001508065264 975598177 /nfs/dbraw/zinc/59/81/77/975598177.db2.gz SVNCWNXEUXUXEE-CQSZACIVSA-N 2 0 295.471 1.955 10 0 CDAERP CN(C(=O)C1(C[NH+](C)C)CC1)C1CC([NH2+]CCCF)C1 ZINC001508129151 975616548 /nfs/dbraw/zinc/61/65/48/975616548.db2.gz UEPSEECVYVKYPK-UHFFFAOYSA-N 2 0 285.407 1.267 10 0 CDAERP COC[C@@H](C)[N@H+](C)CCN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001379065508 975634787 /nfs/dbraw/zinc/63/47/87/975634787.db2.gz OLEPEFZTGWHHSD-CABCVRRESA-N 2 0 299.459 1.286 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2nccs2)C1 ZINC001397633548 975663467 /nfs/dbraw/zinc/66/34/67/975663467.db2.gz RVVJVFNMPSMUMQ-TXEJJXNPSA-N 2 0 296.440 1.079 10 0 CDAERP CC[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[NH2+]Cc1cncs1 ZINC001405358980 975725157 /nfs/dbraw/zinc/72/51/57/975725157.db2.gz QZGFLWLZKSPFIU-AAEUAGOBSA-N 2 0 298.456 1.468 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccns1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001401681803 975792909 /nfs/dbraw/zinc/79/29/09/975792909.db2.gz RFYXWORFJIWZPH-DMDPSCGWSA-N 2 0 296.440 1.078 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CC12CC[NH+](CC1CC1)CC2)[NH+](C)C ZINC001389518356 975884831 /nfs/dbraw/zinc/88/48/31/975884831.db2.gz BCQVYYVXBHMRTE-CABCVRRESA-N 2 0 293.455 1.707 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccsc1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001379550624 975919836 /nfs/dbraw/zinc/91/98/36/975919836.db2.gz JBROWIIDKMHZEU-STQMWFEESA-N 2 0 295.452 1.684 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccsc1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001379550613 975920726 /nfs/dbraw/zinc/92/07/26/975920726.db2.gz JBROWIIDKMHZEU-OLZOCXBDSA-N 2 0 295.452 1.684 10 0 CDAERP Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)CC[NH+](C)C)c1 ZINC001401907573 975992955 /nfs/dbraw/zinc/99/29/55/975992955.db2.gz UCBBRQOUOOLWPA-INIZCTEOSA-N 2 0 289.423 1.637 10 0 CDAERP C[C@H]([NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1)c1ccccc1 ZINC001398524960 976017269 /nfs/dbraw/zinc/01/72/69/976017269.db2.gz OPPLZXUTLBJWMT-HOCLYGCPSA-N 2 0 289.423 1.890 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H](C)OC)C1 ZINC001390022768 976088852 /nfs/dbraw/zinc/08/88/52/976088852.db2.gz AEDUUMZOPOPKTC-KBXIAJHMSA-N 2 0 297.443 1.133 10 0 CDAERP C[C@H](NC(=O)C[NH+]1CCCC1)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC001398802269 976154813 /nfs/dbraw/zinc/15/48/13/976154813.db2.gz ZXHNMJLFJZAVBS-HOCLYGCPSA-N 2 0 293.455 1.709 10 0 CDAERP O=C(C[NH+]1CCCC1)NC1CCC([NH2+]C/C=C/Cl)CC1 ZINC001398852286 976176679 /nfs/dbraw/zinc/17/66/79/976176679.db2.gz QNYOCTZANXLRRN-FPYGCLRLSA-N 2 0 299.846 1.852 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1CC12CC[NH+](C(C)C)CC2)[NH+](C)C ZINC001402250355 976200350 /nfs/dbraw/zinc/20/03/50/976200350.db2.gz WUNAIEHPTIAGQH-ZIAGYGMSSA-N 2 0 281.444 1.706 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CC1)C2 ZINC001402400587 976267314 /nfs/dbraw/zinc/26/73/14/976267314.db2.gz GIQNXAWFJQDKSE-KKUMJFAQSA-N 2 0 279.428 1.317 10 0 CDAERP C[C@H](C[N@H+](C)Cc1ccsc1)NC(=O)[C@@H]1CCC[NH+]1C ZINC001406588726 976282201 /nfs/dbraw/zinc/28/22/01/976282201.db2.gz WGEFEYVWEIUAEW-OCCSQVGLSA-N 2 0 295.452 1.779 10 0 CDAERP Cc1ncc(C[NH2+][C@H]2CCN(C(=O)CCC[NH+](C)C)C2)o1 ZINC001402445737 976286836 /nfs/dbraw/zinc/28/68/36/976286836.db2.gz UGTZUXAXPKFDJG-ZDUSSCGKSA-N 2 0 294.399 1.015 10 0 CDAERP CC1CC(C[NH+]2CC(N(C)C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001380229574 976300451 /nfs/dbraw/zinc/30/04/51/976300451.db2.gz KUADYEHSEUKHEA-UHFFFAOYSA-N 2 0 293.455 1.659 10 0 CDAERP CC(C)CCC[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001380227568 976301365 /nfs/dbraw/zinc/30/13/65/976301365.db2.gz RACRRWVSGCMJAA-GDBMZVCRSA-N 2 0 295.471 1.905 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CC(C)C)C1 ZINC001390606550 976387949 /nfs/dbraw/zinc/38/79/49/976387949.db2.gz RJFBEMRPJSKTBS-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@]1(C)CC[NH+](CCCF)C1 ZINC001380393362 976406158 /nfs/dbraw/zinc/40/61/58/976406158.db2.gz QCVPOKZCLNUHKO-CQSZACIVSA-N 2 0 273.396 1.267 10 0 CDAERP CCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001402755889 976466148 /nfs/dbraw/zinc/46/61/48/976466148.db2.gz RHXDFZKRQARRSS-HUUCEWRRSA-N 2 0 281.444 1.709 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]C/C=C\Cl)CC1 ZINC001402776611 976477890 /nfs/dbraw/zinc/47/78/90/976477890.db2.gz YSCNSOUDWZLWAL-IBSXUBTNSA-N 2 0 299.846 1.804 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC([C@@H]2CC[N@H+](CCF)C2)CC1 ZINC001406999418 976509674 /nfs/dbraw/zinc/50/96/74/976509674.db2.gz CGSDFWGQLMWNIE-OAHLLOKOSA-N 2 0 299.434 1.468 10 0 CDAERP CC(C)C[C@H](C)C[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001407050733 976529569 /nfs/dbraw/zinc/52/95/69/976529569.db2.gz AGMRQAXAJHQGBT-GOEBONIOSA-N 2 0 295.471 1.905 10 0 CDAERP CC(C)[NH+](C)CC(=O)N[C@]1(C)CC[N@@H+](CC[C@@H](C)F)C1 ZINC001407218754 976608051 /nfs/dbraw/zinc/60/80/51/976608051.db2.gz WTJZVBDAHOXUMS-UKRRQHHQSA-N 2 0 287.423 1.655 10 0 CDAERP C[C@H]1CC[C@@H](C[N@H+](C)CCCN(C)C(=O)CC[NH+](C)C)O1 ZINC001380968884 976633691 /nfs/dbraw/zinc/63/36/91/976633691.db2.gz GKNJNMUUGUSMCC-GJZGRUSLSA-N 2 0 299.459 1.286 10 0 CDAERP CC[C@H](F)C[N@H+](CC)CCNC(=O)C1CC[NH+](C)CC1 ZINC001399749449 976669244 /nfs/dbraw/zinc/66/92/44/976669244.db2.gz GAJKKOKHHFSCHT-AWEZNQCLSA-N 2 0 287.423 1.514 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)CCC1CC1 ZINC001399751243 976670146 /nfs/dbraw/zinc/67/01/46/976670146.db2.gz NDURBOUAIKQYMZ-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(F)cc1 ZINC001403057174 976686373 /nfs/dbraw/zinc/68/63/73/976686373.db2.gz YOJMQDOZQSLNRW-GFCCVEGCSA-N 2 0 281.375 1.372 10 0 CDAERP C[NH+](C)CCC(=O)NCC[N@H+](C[C@H]1CCCCO1)C1CC1 ZINC001391174555 976745105 /nfs/dbraw/zinc/74/51/05/976745105.db2.gz KCQCGEFHMQKWLS-OAHLLOKOSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)CC1CC1 ZINC001403140143 976754602 /nfs/dbraw/zinc/75/46/02/976754602.db2.gz DQDIWCBFMMFRJC-GOEBONIOSA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@H](F)C[NH2+]CC1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001381334854 976764247 /nfs/dbraw/zinc/76/42/47/976764247.db2.gz ILQGPNHZPYVEEX-MOKVOYLWSA-N 2 0 285.407 1.315 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001403196465 976807117 /nfs/dbraw/zinc/80/71/17/976807117.db2.gz SPJGDDKPWHUSRP-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ocnc1C ZINC001381449218 976832907 /nfs/dbraw/zinc/83/29/07/976832907.db2.gz YDFGFSVVOGQSMJ-NWDGAFQWSA-N 2 0 296.415 1.308 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](C[C@@H]2CCCCO2)C1 ZINC001391398451 976859715 /nfs/dbraw/zinc/85/97/15/976859715.db2.gz CNZCNFPSJFNSAZ-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@@H](F)CN1CC([C@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001403323154 976881393 /nfs/dbraw/zinc/88/13/93/976881393.db2.gz YHVACFPUQRMINR-GXTWGEPZSA-N 2 0 287.423 1.513 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001403435950 976952635 /nfs/dbraw/zinc/95/26/35/976952635.db2.gz HQBNWASOTCZYTA-IIAWOOMASA-N 2 0 295.471 1.859 10 0 CDAERP C[C@@H](CCNC(=O)CC[NH+](C)C)[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001408215010 976967528 /nfs/dbraw/zinc/96/75/28/976967528.db2.gz FUOAPRWWWJSNFZ-UONOGXRCSA-N 2 0 299.459 1.238 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)NC1C[NH+](CC2CCCC2)C1 ZINC001400348334 976998341 /nfs/dbraw/zinc/99/83/41/976998341.db2.gz IHDBWAGADPKXRB-HNNXBMFYSA-N 2 0 299.434 1.657 10 0 CDAERP CCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@H+](C[C@@H](C)OC)C1 ZINC001391653838 977015926 /nfs/dbraw/zinc/01/59/26/977015926.db2.gz DBWJSSJUCPVMAS-HUUCEWRRSA-N 2 0 299.459 1.284 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCC(C)(C)C ZINC001403527136 977030177 /nfs/dbraw/zinc/03/01/77/977030177.db2.gz NZVVAOZUIZUAGX-KBPBESRZSA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[NH2+]CCF ZINC001391696818 977049932 /nfs/dbraw/zinc/04/99/32/977049932.db2.gz TXGBLZSRIFIWMI-CHWSQXEVSA-N 2 0 273.396 1.313 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N(C)C[C@@H](C)[NH2+]C(C)C ZINC001403558521 977061937 /nfs/dbraw/zinc/06/19/37/977061937.db2.gz RLEGQPXJLUNPNP-OLZOCXBDSA-N 2 0 275.412 1.511 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]CC)C1 ZINC001569851940 1170013485 /nfs/dbraw/zinc/01/34/85/1170013485.db2.gz BZFUEAXUUIWOBL-STQMWFEESA-N 2 0 255.406 1.032 10 0 CDAERP CN(C(=O)CC[NH+](C)C)[C@H]1CCN(Cc2ccns2)C1 ZINC001400708550 977149117 /nfs/dbraw/zinc/14/91/17/977149117.db2.gz OBDRKDFJPVBGKL-LBPRGKRZSA-N 2 0 296.440 1.128 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC[N@@H+](C)CCC2CC2)C1 ZINC001403736438 977167573 /nfs/dbraw/zinc/16/75/73/977167573.db2.gz QBVVOUQCDUOHDY-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)CC(C)C ZINC001403880028 977242108 /nfs/dbraw/zinc/24/21/08/977242108.db2.gz RNDKNKDQIHSLBZ-GJZGRUSLSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001382313568 977245968 /nfs/dbraw/zinc/24/59/68/977245968.db2.gz NOGZIXBUAFTOCQ-HUUCEWRRSA-N 2 0 281.444 1.707 10 0 CDAERP COC[C@@H](C)[NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C ZINC001382368458 977266790 /nfs/dbraw/zinc/26/67/90/977266790.db2.gz LDBAPZPPAMVDCL-KGLIPLIRSA-N 2 0 299.459 1.190 10 0 CDAERP Cc1cncc(C[NH2+]C[C@@H](C)NC(=O)C[NH+]2CCCC2)c1 ZINC001392529237 977473188 /nfs/dbraw/zinc/47/31/88/977473188.db2.gz GZFMHPUOENZKQJ-CQSZACIVSA-N 2 0 290.411 1.080 10 0 CDAERP Cc1ccccc1C[NH2+][C@@H](C)CCNC(=O)CC[NH+](C)C ZINC001393815915 977926586 /nfs/dbraw/zinc/92/65/86/977926586.db2.gz RGKOVYZZLQXYOA-HNNXBMFYSA-N 2 0 291.439 1.931 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC1CCOCC1 ZINC001394006745 978003599 /nfs/dbraw/zinc/00/35/99/978003599.db2.gz YOADXLURCBADMP-KGLIPLIRSA-N 2 0 299.459 1.238 10 0 CDAERP CC(C)=CC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001674926417 1174036930 /nfs/dbraw/zinc/03/69/30/1174036930.db2.gz ZOBIWMBWGJFTLM-ZBFHGGJFSA-N 2 0 293.455 1.731 10 0 CDAERP CCCC[C@@H](C[NH2+]CCC)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001675216737 1174084153 /nfs/dbraw/zinc/08/41/53/1174084153.db2.gz AWFDAAVWDPWVFS-UONOGXRCSA-N 2 0 269.433 1.755 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[NH+]1CCCC1 ZINC001676273951 1174198847 /nfs/dbraw/zinc/19/88/47/1174198847.db2.gz TYMUNDOHFMNUGD-INIZCTEOSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001676401368 1174220378 /nfs/dbraw/zinc/22/03/78/1174220378.db2.gz LLMDTVBWVZWCCK-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@@H](C(=O)N1CCC(CC)([NH2+]CCOC)CC1)[NH+](C)C ZINC001570263257 1170123911 /nfs/dbraw/zinc/12/39/11/1170123911.db2.gz IBEOUNIOSGLFLO-AWEZNQCLSA-N 2 0 299.459 1.334 10 0 CDAERP CCCC[NH2+][C@H](C)[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001570653572 1170224018 /nfs/dbraw/zinc/22/40/18/1170224018.db2.gz SVBATJPEQVGCPJ-OLZOCXBDSA-N 2 0 257.422 1.610 10 0 CDAERP CC(C)=CC[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001570733641 1170260619 /nfs/dbraw/zinc/26/06/19/1170260619.db2.gz DMHVXGRZPQJRKK-ZDUSSCGKSA-N 2 0 255.406 1.341 10 0 CDAERP CC[NH2+]CCC[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001571308436 1170363326 /nfs/dbraw/zinc/36/33/26/1170363326.db2.gz NGVNJEQGNKZEBF-CYBMUJFWSA-N 2 0 271.449 1.859 10 0 CDAERP CCCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001571597055 1170487368 /nfs/dbraw/zinc/48/73/68/1170487368.db2.gz FBDILJAWRRKQPK-LSDHHAIUSA-N 2 0 299.459 1.070 10 0 CDAERP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000165012511 342492858 /nfs/dbraw/zinc/49/28/58/342492858.db2.gz LAJCUAFUQHFBMW-SOUVJXGZSA-N 2 0 281.444 1.470 10 0 CDAERP COCCOc1ccccc1C[NH2+]CCC1(C[NH3+])CC1 ZINC000650712732 398155566 /nfs/dbraw/zinc/15/55/66/398155566.db2.gz RMELZDGAJXCZMV-UHFFFAOYSA-N 2 0 278.396 1.930 10 0 CDAERP Cn1ncc(Br)c1C[NH2+]CCC1(C[NH3+])CC1 ZINC000650713819 398156304 /nfs/dbraw/zinc/15/63/04/398156304.db2.gz DAFIOUPPXZCSQI-UHFFFAOYSA-N 2 0 287.205 1.401 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CCCc2c1ccc(=O)n2C ZINC000650764585 398184205 /nfs/dbraw/zinc/18/42/05/398184205.db2.gz DWZMZFLZEHSLJI-DMDPSCGWSA-N 2 0 263.385 1.478 10 0 CDAERP CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@H](C[NH3+])CC1 ZINC000616600147 361775265 /nfs/dbraw/zinc/77/52/65/361775265.db2.gz DUVMLJIIAXHLDR-LBPRGKRZSA-N 2 0 271.405 1.572 10 0 CDAERP COc1cncc(CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)n1 ZINC000625209237 342041099 /nfs/dbraw/zinc/04/10/99/342041099.db2.gz GDUMJUIDZLJJBT-AWEZNQCLSA-N 2 0 290.411 1.649 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)c2c[nH+]ccc2N)C1 ZINC000127374750 342066477 /nfs/dbraw/zinc/06/64/77/342066477.db2.gz WPBHDCPHKSRSPF-LLVKDONJSA-N 2 0 262.357 1.124 10 0 CDAERP C[C@H]1CN2CCCC[C@@H]2CN1C(=O)C1([NH3+])CCCCC1 ZINC000094447041 342063671 /nfs/dbraw/zinc/06/36/71/342063671.db2.gz WNWMYFCRKVXIJE-UONOGXRCSA-N 2 0 279.428 1.733 10 0 CDAERP Cc1ccc(O)c(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)n1 ZINC000274421927 365660892 /nfs/dbraw/zinc/66/08/92/365660892.db2.gz HOIJBWLBZRAFGP-ZDUSSCGKSA-N 2 0 292.427 1.211 10 0 CDAERP COC(=O)[C@@H]1CCCCC[N@@H+]1CCc1cncn1C ZINC000590955726 342610962 /nfs/dbraw/zinc/61/09/62/342610962.db2.gz DZHOYFFWPSLFQG-ZDUSSCGKSA-N 2 0 265.357 1.380 10 0 CDAERP [NH3+]C[C@@H]1C[NH2+]C[C@@H]1c1cccc(Br)c1 ZINC000096884153 185120071 /nfs/dbraw/zinc/12/00/71/185120071.db2.gz YNGRAFMVUIPXJE-MWLCHTKSSA-N 2 0 255.159 1.711 10 0 CDAERP C[C@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)C1CC[NH+](C)CC1 ZINC000624343024 342157749 /nfs/dbraw/zinc/15/77/49/342157749.db2.gz NTKMZFRQBLGIRD-SWLSCSKDSA-N 2 0 279.428 1.460 10 0 CDAERP CCO[C@@H](C[NH2+]C(C)(C)CN1CC[NH+](CC)CC1)C1CC1 ZINC000625463103 342171065 /nfs/dbraw/zinc/17/10/65/342171065.db2.gz AIIHWNGKDQURRF-INIZCTEOSA-N 2 0 297.487 1.807 10 0 CDAERP [NH3+]C1(C[NH2+]Cc2cccc(-n3cccn3)c2)CCOCC1 ZINC000629388019 361904701 /nfs/dbraw/zinc/90/47/01/361904701.db2.gz MDXBGWSGSNLVSB-UHFFFAOYSA-N 2 0 286.379 1.470 10 0 CDAERP CC(C)COC[C@@H](O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366497894 361914218 /nfs/dbraw/zinc/91/42/18/361914218.db2.gz PJMGFQIMUQJBPN-LSDHHAIUSA-N 2 0 270.417 1.048 10 0 CDAERP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(F)c2cccnc12 ZINC000263138908 361923852 /nfs/dbraw/zinc/92/38/52/361923852.db2.gz CEVCQDHZXZCNAE-FZMZJTMJSA-N 2 0 275.327 1.044 10 0 CDAERP COc1ccc(C[NH2+]CCOCCC[NH3+])c(F)c1 ZINC000629400853 361939159 /nfs/dbraw/zinc/93/91/59/361939159.db2.gz LRBPLCTZIITOBG-UHFFFAOYSA-N 2 0 256.321 1.289 10 0 CDAERP CN1CCC([N@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000093678036 539035687 /nfs/dbraw/zinc/03/56/87/539035687.db2.gz VLCGHHNOAKZPCS-GOOCMWNKSA-N 2 0 265.445 1.933 10 0 CDAERP CC(C)(C[NH3+])[C@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC000669377524 539072112 /nfs/dbraw/zinc/07/21/12/539072112.db2.gz SAISUEVLPFMZPT-INIZCTEOSA-N 2 0 262.397 1.998 10 0 CDAERP CC[NH+]1CCC(CC[NH2+][C@H](C)[C@H]2C[C@@H]2C(=O)OC)CC1 ZINC000594927857 342973734 /nfs/dbraw/zinc/97/37/34/342973734.db2.gz ADADFUOOJFKYSM-YUELXQCFSA-N 2 0 282.428 1.896 10 0 CDAERP CC[NH+]1CCC(CC[NH2+][C@H](C)[C@@H]2C[C@H]2C(=O)OC)CC1 ZINC000594927856 342974040 /nfs/dbraw/zinc/97/40/40/342974040.db2.gz ADADFUOOJFKYSM-VHDGCEQUSA-N 2 0 282.428 1.896 10 0 CDAERP [NH3+]C1(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CCOCC1 ZINC000629521220 362136157 /nfs/dbraw/zinc/13/61/57/362136157.db2.gz OFPQHQLTQHPKOG-QLFBSQMISA-N 2 0 281.444 1.395 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCOC3CCOCC3)C[C@H]21 ZINC000629519747 362138941 /nfs/dbraw/zinc/13/89/41/362138941.db2.gz QNHKMBYXAMAZEJ-NWANDNLSSA-N 2 0 268.401 1.241 10 0 CDAERP CC1(C)[C@H]([NH2+]CC2([NH3+])CCOCC2)[C@@H]2CCCO[C@@H]21 ZINC000629523492 362139937 /nfs/dbraw/zinc/13/99/37/362139937.db2.gz HPBKJJJFGLTEFG-XQQFMLRXSA-N 2 0 268.401 1.288 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)c1ccc(F)cc1F ZINC000629528819 362155380 /nfs/dbraw/zinc/15/53/80/362155380.db2.gz KIVDYVRQIOBQBV-SNVBAGLBSA-N 2 0 258.312 1.851 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)c1ccccc1N(C)C ZINC000629529640 362159126 /nfs/dbraw/zinc/15/91/26/362159126.db2.gz JGLMTDZJKPNHAM-CYBMUJFWSA-N 2 0 265.401 1.639 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000629530805 362160628 /nfs/dbraw/zinc/16/06/28/362160628.db2.gz RSIAKLFXAIFRQA-ZDUSSCGKSA-N 2 0 293.411 1.275 10 0 CDAERP CN1CCOC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000629532437 362166263 /nfs/dbraw/zinc/16/62/63/362166263.db2.gz AOHZCQKXRZVHLI-ZJIFWQFVSA-N 2 0 281.444 1.217 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000629529984 362161824 /nfs/dbraw/zinc/16/18/24/362161824.db2.gz RZHVTPREEGVAPX-QGZVFWFLSA-N 2 0 285.391 1.997 10 0 CDAERP C[C@H]([NH3+])C1CCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000247129001 343967319 /nfs/dbraw/zinc/96/73/19/343967319.db2.gz NKUYDIFTRLDHHL-WCFLWFBJSA-N 2 0 253.390 1.090 10 0 CDAERP CCCCCCCC[NH2+]CCN(CC[NH3+])CC[NH3+] ZINC000059257833 344883606 /nfs/dbraw/zinc/88/36/06/344883606.db2.gz IMYOWMCGXDBBDI-UHFFFAOYSA-N 3 0 258.454 1.156 10 0 CDAERP C[N@H+](C[C@H](O)Cc1ccccc1)C[C@H]1CCc2nccn2C1 ZINC000328653042 345422122 /nfs/dbraw/zinc/42/21/22/345422122.db2.gz WSHLJZKGFROIKP-IAGOWNOFSA-N 2 0 299.418 1.981 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN([C@@H](C)C[C@@](C)(CO)[NH2+]C)C1 ZINC000085213405 178977684 /nfs/dbraw/zinc/97/76/84/178977684.db2.gz XJKIUBZTPQKCJI-ZNMIVQPWSA-N 2 0 271.449 1.152 10 0 CDAERP CCC[NH2+][C@](C)(CO)C[C@@H](C)N1CC[C@H]([NH+](C)C)C1 ZINC000085213698 178978139 /nfs/dbraw/zinc/97/81/39/178978139.db2.gz ARNDAYRCYFMRAD-ILXRZTDVSA-N 2 0 271.449 1.152 10 0 CDAERP CC[N@@H+]1CC[C@@H](CN[C@@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623361412 346089923 /nfs/dbraw/zinc/08/99/23/346089923.db2.gz ALCZHHMIPRKKGL-UONOGXRCSA-N 2 0 253.434 1.791 10 0 CDAERP C[C@@H](CN1CCCC1=O)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623364162 346092139 /nfs/dbraw/zinc/09/21/39/346092139.db2.gz WGBKOTWLEAEQBD-STQMWFEESA-N 2 0 267.417 1.460 10 0 CDAERP C[NH+](C)CCN(C(=O)[C@H]1CCCC[C@H]1[NH3+])C1CCCC1 ZINC000085369385 179039256 /nfs/dbraw/zinc/03/92/56/179039256.db2.gz GSSVEPSXERJHLV-LSDHHAIUSA-N 2 0 281.444 1.837 10 0 CDAERP C[NH+](C)C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1[NH3+])c1ccccc1 ZINC000085370820 179040550 /nfs/dbraw/zinc/04/05/50/179040550.db2.gz XCMPYJLPWKGTKH-PMPSAXMXSA-N 2 0 289.423 1.923 10 0 CDAERP CS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000085376823 179044772 /nfs/dbraw/zinc/04/47/72/179044772.db2.gz VQDGZNVIMMDWPF-GXTWGEPZSA-N 2 0 282.409 1.307 10 0 CDAERP C[N@@H+]1CCC[C@H](Cn2c3c(nc2C2CC2)C[NH2+]CC3)C1 ZINC000085572763 179097675 /nfs/dbraw/zinc/09/76/75/179097675.db2.gz ZQXNMYWFFZNJAB-LBPRGKRZSA-N 2 0 274.412 1.748 10 0 CDAERP CCc1nc2c(n1C[C@@H](C)[NH+]1CCCCC1)CC[NH2+]C2 ZINC000085573439 179098565 /nfs/dbraw/zinc/09/85/65/179098565.db2.gz ADWCHFMBYRUCDV-CYBMUJFWSA-N 2 0 276.428 1.966 10 0 CDAERP Cc1nccn1CC[N@H+]1C[C@H](C(C)C)[NH2+]CC[C@@H]1C ZINC000085618087 179103820 /nfs/dbraw/zinc/10/38/20/179103820.db2.gz IWRIJKCQZPSNOV-DZGCQCFKSA-N 2 0 264.417 1.900 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCC[C@H](O)C2)CC1(C)C ZINC000623429171 346593390 /nfs/dbraw/zinc/59/33/90/346593390.db2.gz PUZQFKSKTUELPR-IHRRRGAJSA-N 2 0 254.418 2.000 10 0 CDAERP CCSCC[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000611191073 346685783 /nfs/dbraw/zinc/68/57/83/346685783.db2.gz GNAJPGXOURLGPR-OAHLLOKOSA-N 2 0 285.501 1.840 10 0 CDAERP CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414684213 365877757 /nfs/dbraw/zinc/87/77/57/365877757.db2.gz CUSCZWFHSVSNPG-ILXRZTDVSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H](CC[NH+](C)C)N1CC[NH2+]C2(CCCCC2)C1 ZINC000086144729 179237893 /nfs/dbraw/zinc/23/78/93/179237893.db2.gz AGPWLORCVJBICZ-CQSZACIVSA-N 2 0 253.434 1.935 10 0 CDAERP C[C@@H]1C[NH2+]C2(CCCC2)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086223990 179253122 /nfs/dbraw/zinc/25/31/22/179253122.db2.gz HEHZHCCJQDUIDC-ZIAGYGMSSA-N 2 0 251.418 1.687 10 0 CDAERP CC(C)[C@@H]1C[NH2+][C@@H](C2CC2)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086223948 179253821 /nfs/dbraw/zinc/25/38/21/179253821.db2.gz XPMAGWLNCNZVSU-OAGGEKHMSA-N 2 0 265.445 1.789 10 0 CDAERP Cc1cccc2c1C[C@H]([NH2+][C@H]1CN(C)C[C@@H]1C)CO2 ZINC000623608135 347656201 /nfs/dbraw/zinc/65/62/01/347656201.db2.gz YMAYSSAJDHFGQY-YDHLFZDLSA-N 2 0 260.381 1.838 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000641937765 365982045 /nfs/dbraw/zinc/98/20/45/365982045.db2.gz HDMPHKPFDCPLIU-XPCVCDNBSA-N 2 0 294.443 1.380 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000629547177 362973593 /nfs/dbraw/zinc/97/35/93/362973593.db2.gz RSPBHHUBNFFZRJ-SBJFKYEJSA-N 2 0 251.418 1.637 10 0 CDAERP CCn1nccc1CC[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000621776859 350773035 /nfs/dbraw/zinc/77/30/35/350773035.db2.gz YKNBGJPUQBBPET-HUUCEWRRSA-N 2 0 276.428 1.767 10 0 CDAERP CCn1nccc1CC[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000621776855 350773323 /nfs/dbraw/zinc/77/33/23/350773323.db2.gz YJFZIZNIFYAWTD-CYBMUJFWSA-N 2 0 250.390 1.423 10 0 CDAERP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NC/C=C/C[NH3+] ZINC000629558918 363001105 /nfs/dbraw/zinc/00/11/05/363001105.db2.gz YABAGAFIPIFPHF-XGACYXMMSA-N 2 0 282.432 1.311 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000629570226 363016523 /nfs/dbraw/zinc/01/65/23/363016523.db2.gz AIRCGMWILWFOOF-UHFFFAOYSA-N 2 0 288.338 1.956 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH2+]C(C)C)[C@H](C)C1 ZINC000569744766 363023310 /nfs/dbraw/zinc/02/33/10/363023310.db2.gz LLLROFSVOMAVOK-CHWSQXEVSA-N 2 0 255.406 1.173 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1ccc(-n2cccn2)cc1 ZINC000629572286 363028007 /nfs/dbraw/zinc/02/80/07/363028007.db2.gz ZCKWLKBTXFXMCS-UHFFFAOYSA-N 2 0 288.395 1.540 10 0 CDAERP C[N@H+](Cc1cccc2c1CC[NH2+]C2)[C@H]1C[C@@H](C(N)=O)C1 ZINC000629581432 363043822 /nfs/dbraw/zinc/04/38/22/363043822.db2.gz ARKCZARIJDZPDR-OKILXGFUSA-N 2 0 273.380 1.028 10 0 CDAERP CCC[NH2+]CCNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000418493525 535162779 /nfs/dbraw/zinc/16/27/79/535162779.db2.gz YMDXPBIEIRTLPE-OAHLLOKOSA-N 2 0 296.459 1.646 10 0 CDAERP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@H]1CC1(C)C ZINC000487328202 366039813 /nfs/dbraw/zinc/03/98/13/366039813.db2.gz UUAXWNKRUDYYIH-BFHYXJOUSA-N 2 0 281.444 1.598 10 0 CDAERP CC1(C)C[NH2+]CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000634763234 358466364 /nfs/dbraw/zinc/46/63/64/358466364.db2.gz RLPGCAIXNPDYPZ-CYBMUJFWSA-N 2 0 286.379 1.842 10 0 CDAERP CC[C@H](C)[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000355339771 366078550 /nfs/dbraw/zinc/07/85/50/366078550.db2.gz GOAVGGWSATUJEV-LBPRGKRZSA-N 2 0 267.417 1.460 10 0 CDAERP O[C@H](C[NH2+][C@@H]1C[C@H]1c1ccccc1)C[NH+]1CCCC1 ZINC000250821371 366103831 /nfs/dbraw/zinc/10/38/31/366103831.db2.gz SNANKNXCEZNHJK-OWCLPIDISA-N 2 0 260.381 1.589 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1c[nH]nc1-c1ccsc1 ZINC000629653145 363253460 /nfs/dbraw/zinc/25/34/60/363253460.db2.gz GCCFIAFIQKRPDP-UHFFFAOYSA-N 2 0 294.424 1.806 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)C[C@@H]1CCOc2ccccc21 ZINC000629653678 363255169 /nfs/dbraw/zinc/25/51/69/363255169.db2.gz MCUKKPTVOPGIIL-AWEZNQCLSA-N 2 0 278.396 1.721 10 0 CDAERP CN1CCC[C@H]([NH2+]C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000644548287 366165513 /nfs/dbraw/zinc/16/55/13/366165513.db2.gz ZKHZACPZTUJQDZ-LSDHHAIUSA-N 2 0 282.815 1.927 10 0 CDAERP CCCN(C(=O)[C@H]1CCC[C@H]([NH3+])C1)C1CC[NH2+]CC1 ZINC000236823061 283035832 /nfs/dbraw/zinc/03/58/32/283035832.db2.gz DGRIOWUROFDUSS-STQMWFEESA-N 2 0 267.417 1.495 10 0 CDAERP CC1CC[NH+](CCCCNC(=O)NCCC[NH3+])CC1 ZINC000417032466 535277651 /nfs/dbraw/zinc/27/76/51/535277651.db2.gz QKTGJMRANGMLHQ-UHFFFAOYSA-N 2 0 270.421 1.147 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCN2CC=CCC2)[C@H]2CCC[C@H]21 ZINC000367639146 283135564 /nfs/dbraw/zinc/13/55/64/283135564.db2.gz SZLHOVZEVWGRIC-OWCLPIDISA-N 2 0 263.429 1.711 10 0 CDAERP CCOC(=O)C[N@H+](C[C@H]1CC[NH2+][C@H](C)C1)C1CCC1 ZINC000414757184 366253863 /nfs/dbraw/zinc/25/38/63/366253863.db2.gz SCLLZMZRYPZBEO-OLZOCXBDSA-N 2 0 268.401 1.792 10 0 CDAERP CC[N@H+](C)CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001660351958 1172202471 /nfs/dbraw/zinc/20/24/71/1172202471.db2.gz JMOTZKANBTWEAT-UHFFFAOYSA-N 2 0 269.433 1.565 10 0 CDAERP CO[C@H](C[N@H+](C)CC[C@@H]1CCCC[NH+]1C)[C@H]1CCOC1 ZINC000659960356 412641824 /nfs/dbraw/zinc/64/18/24/412641824.db2.gz IIMWLPDBWFQWMQ-HRCADAONSA-N 2 0 284.444 1.844 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC1(O)Cc2ccccc2C1 ZINC000564825593 357280104 /nfs/dbraw/zinc/28/01/04/357280104.db2.gz VAFDXMYQVLXBIB-JKSUJKDBSA-N 2 0 274.408 1.623 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000091543720 357717585 /nfs/dbraw/zinc/71/75/85/357717585.db2.gz IPXVVMNIZHGBTQ-OLZOCXBDSA-N 2 0 267.417 1.447 10 0 CDAERP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634744364 358193124 /nfs/dbraw/zinc/19/31/24/358193124.db2.gz WDRKGZQLUSUCHK-VBNZEHGJSA-N 2 0 281.444 1.469 10 0 CDAERP CC[N@@H+]1CC[C@@H](CNCc2c(Cl)cnn2C)C1 ZINC000130551997 358313673 /nfs/dbraw/zinc/31/36/73/358313673.db2.gz PKKMEHIYVRBUFG-JTQLQIEISA-N 2 0 256.781 1.505 10 0 CDAERP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCC2(C[NH3+])CC2)[C@H]1C ZINC000593318238 358611197 /nfs/dbraw/zinc/61/11/97/358611197.db2.gz BVTCFGDENSRDKB-AVGNSLFASA-N 2 0 268.401 1.683 10 0 CDAERP C[NH+](C)C1CCC(NC(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000643233210 358873667 /nfs/dbraw/zinc/87/36/67/358873667.db2.gz JCGXYWSXQRWQMD-MOKVOYLWSA-N 2 0 282.432 1.253 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccccc1CC[NH3+] ZINC000070551929 358968681 /nfs/dbraw/zinc/96/86/81/358968681.db2.gz FCOFKPPWJXBDEX-OAHLLOKOSA-N 2 0 291.439 1.894 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N1CCC([NH3+])CC1 ZINC000335211911 359048406 /nfs/dbraw/zinc/04/84/06/359048406.db2.gz ZTOCIADVIWGQLE-STQMWFEESA-N 2 0 282.432 1.382 10 0 CDAERP CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](CC2CC[NH2+]CC2)C1 ZINC000261868642 359072618 /nfs/dbraw/zinc/07/26/18/359072618.db2.gz VAPBYMPEUZPVKY-QWHCGFSZSA-N 2 0 280.372 1.139 10 0 CDAERP C[C@]1(c2nc(-c3ccc(C[NH3+])cc3)no2)CC[NH2+]C1 ZINC000261964629 359106411 /nfs/dbraw/zinc/10/64/11/359106411.db2.gz HQXVOWWBFZHVOR-AWEZNQCLSA-N 2 0 258.325 1.446 10 0 CDAERP C[C@]1(C[NH+]2CCC(c3nnc4ccccn43)CC2)CC[NH2+]C1 ZINC000261984021 359113177 /nfs/dbraw/zinc/11/31/77/359113177.db2.gz JMFXXLIBULNMOO-KRWDZBQOSA-N 2 0 299.422 1.908 10 0 CDAERP C[C@@H]1CN(Cc2cc(-n3ccnc3)cs2)C[C@@H]1[NH3+] ZINC000262026901 359124159 /nfs/dbraw/zinc/12/41/59/359124159.db2.gz NQFLMQSBTQUUFE-MFKMUULPSA-N 2 0 262.382 1.713 10 0 CDAERP CCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)CCOCC1 ZINC000262029113 359124373 /nfs/dbraw/zinc/12/43/73/359124373.db2.gz XJGDNEAQXZIABC-XHSDSOJGSA-N 2 0 296.455 1.940 10 0 CDAERP C[C@]1(CN2CCCC[C@@H]([NH+]3CCCC3)C2)CC[NH2+]C1 ZINC000262074224 359133280 /nfs/dbraw/zinc/13/32/80/359133280.db2.gz SJQJWVYATKFZIX-CVEARBPZSA-N 2 0 265.445 1.936 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262430559 359166171 /nfs/dbraw/zinc/16/61/71/359166171.db2.gz JFPSFTPBKXJCDL-BJJPWKGXSA-N 2 0 265.401 1.151 10 0 CDAERP C[C@@H](CN(C)Cc1ccccc1)[NH2+][C@H]1CCCNC(=O)C1 ZINC000309925568 359316545 /nfs/dbraw/zinc/31/65/45/359316545.db2.gz XFWBVAVZRATKPF-HOCLYGCPSA-N 2 0 289.423 1.765 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000347362106 359324867 /nfs/dbraw/zinc/32/48/67/359324867.db2.gz PZUMACVNSFFVOR-HOTGVXAUSA-N 2 0 293.455 1.994 10 0 CDAERP CN(CC[N@H+](C)CC[C@@H]1CCCCO1)C1CC[NH+](C)CC1 ZINC000347478414 359418190 /nfs/dbraw/zinc/41/81/90/359418190.db2.gz AGWXTFCKWUBIOQ-KRWDZBQOSA-N 2 0 297.487 1.903 10 0 CDAERP C[NH+]1CCC(CC[NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)CC1 ZINC000422734013 359652460 /nfs/dbraw/zinc/65/24/60/359652460.db2.gz BXQUULWYQUXQKQ-HOTGVXAUSA-N 2 0 281.444 1.075 10 0 CDAERP CCC[NH+]1CCC(N[C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000422793778 359658435 /nfs/dbraw/zinc/65/84/35/359658435.db2.gz YHJFEDPZZGLZAT-CVEARBPZSA-N 2 0 281.444 1.217 10 0 CDAERP C[C@H](CN[C@H](C1CC1)[C@H]1C[NH2+]CCO1)[N@@H+]1CCC[C@@H](C)C1 ZINC000422866458 359664586 /nfs/dbraw/zinc/66/45/86/359664586.db2.gz QHDHBSCONHABTI-MUIFIZLQSA-N 2 0 295.471 1.463 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)C(=O)NCc1ccccc1 ZINC000422925788 359678642 /nfs/dbraw/zinc/67/86/42/359678642.db2.gz BSQSBPKVOGYMFA-UKRRQHHQSA-N 2 0 293.411 1.035 10 0 CDAERP C[C@H]1[NH2+]CCC[C@H]1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000333619154 291193178 /nfs/dbraw/zinc/19/31/78/291193178.db2.gz RKGNMFKXQKDWDU-VAQLIOGMSA-N 2 0 294.443 1.441 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCC[C@H]1CCCC[C@H]1O ZINC000422995755 359704928 /nfs/dbraw/zinc/70/49/28/359704928.db2.gz YYXJMZKNDNNEKU-QLFBSQMISA-N 2 0 272.433 1.661 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])[C@H]1n1cccn1 ZINC000423143479 359754477 /nfs/dbraw/zinc/75/44/77/359754477.db2.gz DFCZWKWYDDVGES-MEBFFEOJSA-N 2 0 266.389 1.317 10 0 CDAERP FC1(F)CC[NH2+]C[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000423474870 359809372 /nfs/dbraw/zinc/80/93/72/359809372.db2.gz HTTFGEIWDVRYKO-UTUOFQBUSA-N 2 0 259.344 1.200 10 0 CDAERP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)[C@@H]1C[C@H]1C ZINC000423502591 359827184 /nfs/dbraw/zinc/82/71/84/359827184.db2.gz CZGMOHDRSGFUJT-AKZYDZMLSA-N 2 0 265.445 1.837 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+][C@@H]2CC[C@@H]2C(C)(C)C)CC1 ZINC000348102893 359836233 /nfs/dbraw/zinc/83/62/33/359836233.db2.gz BAUOFYYVOFABOH-QWHCGFSZSA-N 2 0 254.418 1.857 10 0 CDAERP CC[C@H](C(=O)N1CC[NH+]2CCC1CC2)[NH+](CC)CC ZINC000348175179 359873443 /nfs/dbraw/zinc/87/34/43/359873443.db2.gz WVCMTXCWINBFDK-CQSZACIVSA-N 2 0 267.417 1.413 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+]([C@H](C)CC)CC1 ZINC000456542696 363707249 /nfs/dbraw/zinc/70/72/49/363707249.db2.gz DXNGTJVLBKZLJK-HUUCEWRRSA-N 2 0 281.444 1.804 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C)[C@@H](C)[C@@H]1C ZINC000356904599 366624336 /nfs/dbraw/zinc/62/43/36/366624336.db2.gz QRFGDDNUFKJLRW-MELADBBJSA-N 2 0 267.417 1.412 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](C)CC1 ZINC000356917937 366631470 /nfs/dbraw/zinc/63/14/70/366631470.db2.gz OZMGESBXRHMQAV-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP C[NH2+]CC1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000063165785 360071683 /nfs/dbraw/zinc/07/16/83/360071683.db2.gz RADIHXOSGGAFIU-UHFFFAOYSA-N 2 0 267.417 1.367 10 0 CDAERP COCC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000566405921 360087484 /nfs/dbraw/zinc/08/74/84/360087484.db2.gz IXUXBWPQGONPRK-GOEBONIOSA-N 2 0 297.443 1.121 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000335443355 360188464 /nfs/dbraw/zinc/18/84/64/360188464.db2.gz GXTSWOQPTCXVEB-OAHLLOKOSA-N 2 0 293.455 1.853 10 0 CDAERP C[C@H](CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[S@](C)=O ZINC000090514076 360216638 /nfs/dbraw/zinc/21/66/38/360216638.db2.gz FXKCWMKIAWYCHI-HPTBWKMGSA-N 2 0 258.431 1.360 10 0 CDAERP C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@]1(C)C[NH3+] ZINC000335543025 360355811 /nfs/dbraw/zinc/35/58/11/360355811.db2.gz KUNPFVAGFXDWEY-IAQYHMDHSA-N 2 0 272.352 1.391 10 0 CDAERP [NH3+]C[C@H]1c2ccccc2CCN1CC[C@H]1CCC[NH2+]C1 ZINC000515301089 360470832 /nfs/dbraw/zinc/47/08/32/360470832.db2.gz NCFQNKIERNXLQI-PBHICJAKSA-N 2 0 273.424 1.934 10 0 CDAERP O=C(N[C@@H]1CCC[NH2+]C1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000335610219 360545094 /nfs/dbraw/zinc/54/50/94/360545094.db2.gz TUQGCACIEKSCAE-HUUCEWRRSA-N 2 0 294.443 1.398 10 0 CDAERP CCOC(=O)CC[C@H](O)C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000572475980 360622244 /nfs/dbraw/zinc/62/22/44/360622244.db2.gz BKYHJSIIUHSELH-NRXISQOPSA-N 2 0 298.427 1.297 10 0 CDAERP CC(C)[NH+](CCNC(=O)N[C@@H]1CC[NH2+][C@H]1C)C(C)C ZINC000626919633 360634780 /nfs/dbraw/zinc/63/47/80/360634780.db2.gz IUYYNQJGYZOTSD-QWHCGFSZSA-N 2 0 270.421 1.155 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H]1CCC[NH+]1C ZINC000113604311 360638290 /nfs/dbraw/zinc/63/82/90/360638290.db2.gz YQKRJPXMVGKTOW-CABCVRRESA-N 2 0 296.459 1.644 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1)[N@H+](C)C1CC1 ZINC000226398797 360701696 /nfs/dbraw/zinc/70/16/96/360701696.db2.gz HNCCFKKARMPPKD-GRYCIOLGSA-N 2 0 253.390 1.103 10 0 CDAERP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)CCO1 ZINC000429016016 360738037 /nfs/dbraw/zinc/73/80/37/360738037.db2.gz AJHDMFPCWWSQMB-ILXRZTDVSA-N 2 0 252.402 1.829 10 0 CDAERP CN(C(=O)c1ccc2c(c1)C[NH2+]C2)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000335727944 360855729 /nfs/dbraw/zinc/85/57/29/360855729.db2.gz MNTGBASRCZFJCS-MRXNPFEDSA-N 2 0 285.391 1.599 10 0 CDAERP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)C1 ZINC000334494839 296025418 /nfs/dbraw/zinc/02/54/18/296025418.db2.gz KVOAKAOHKTVBPM-MLGOLLRUSA-N 2 0 287.407 1.184 10 0 CDAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000643539777 361256479 /nfs/dbraw/zinc/25/64/79/361256479.db2.gz IEJANRFPWBBBBW-DCAQKATOSA-N 2 0 260.345 1.049 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000643539778 361256514 /nfs/dbraw/zinc/25/65/14/361256514.db2.gz IEJANRFPWBBBBW-MXWKQRLJSA-N 2 0 260.345 1.049 10 0 CDAERP C[C@@H](CNC(=O)C[C@H]1CCC[NH2+]C1)C[NH+]1CCCCC1 ZINC000054308310 361380919 /nfs/dbraw/zinc/38/09/19/361380919.db2.gz WDLXRRLXTVHCAK-LSDHHAIUSA-N 2 0 281.444 1.614 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000653829198 412725769 /nfs/dbraw/zinc/72/57/69/412725769.db2.gz CSAYYFWNXDBQIZ-OWCLPIDISA-N 2 0 281.444 1.000 10 0 CDAERP C[C@]1(C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)CCCS1 ZINC000311238518 361718952 /nfs/dbraw/zinc/71/89/52/361718952.db2.gz VFVORWIRCFUMFF-ZIAGYGMSSA-N 2 0 272.458 1.709 10 0 CDAERP CC[NH2+]Cc1ccccc1NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000644097302 363870116 /nfs/dbraw/zinc/87/01/16/363870116.db2.gz MBZQYZLOZWTZHU-GFCCVEGCSA-N 2 0 297.349 1.979 10 0 CDAERP OCCN1CCCC[C@H]1C[NH2+][C@H]1CCCc2ncccc21 ZINC000631635683 363992855 /nfs/dbraw/zinc/99/28/55/363992855.db2.gz XGPIPIAUQAKBIL-YOEHRIQHSA-N 2 0 289.423 1.895 10 0 CDAERP C[NH2+]C[C@@H]1CCCN(C(=O)c2ccccc2CC[NH3+])C1 ZINC000566404699 370704058 /nfs/dbraw/zinc/70/40/58/370704058.db2.gz RCFWLVNXCUIKHK-ZDUSSCGKSA-N 2 0 275.396 1.259 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCC12CC2 ZINC000566501529 370752177 /nfs/dbraw/zinc/75/21/77/370752177.db2.gz XXKZWQRFPVBIGG-KGLIPLIRSA-N 2 0 251.418 1.545 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000248897317 364342767 /nfs/dbraw/zinc/34/27/67/364342767.db2.gz XZXYPAJUUORYOY-AVGNSLFASA-N 2 0 255.406 1.350 10 0 CDAERP CC[C@@](C)(O)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683709 364420277 /nfs/dbraw/zinc/42/02/77/364420277.db2.gz MHTYZGQXRILMDZ-OAHLLOKOSA-N 2 0 263.385 1.755 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)CCC[NH+](C)C ZINC000186161135 364526448 /nfs/dbraw/zinc/52/64/48/364526448.db2.gz CMUPDDRFYAMQFX-CQSZACIVSA-N 2 0 284.448 1.454 10 0 CDAERP COc1cc(Br)ccc1[C@H]([NH3+])CC[NH3+] ZINC000575438808 364991605 /nfs/dbraw/zinc/99/16/05/364991605.db2.gz AQHIPSOEQHMYRD-SECBINFHSA-N 2 0 259.147 1.806 10 0 CDAERP COC[C@H](C)C[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000188296398 365172089 /nfs/dbraw/zinc/17/20/89/365172089.db2.gz DDBONAUNWZCEML-CYBMUJFWSA-N 2 0 281.400 1.394 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCOCC2CC2)[C@H]2CCC[C@H]21 ZINC000353405893 365186924 /nfs/dbraw/zinc/18/69/24/365186924.db2.gz SHJLFYSQNSIOGQ-QLFBSQMISA-N 2 0 252.402 1.875 10 0 CDAERP C[C@H]([NH2+]Cc1ccccc1-n1cccn1)[C@@H]1CC[NH2+]C1 ZINC000400392238 366953160 /nfs/dbraw/zinc/95/31/60/366953160.db2.gz IQVMWQVDZGAVSH-UONOGXRCSA-N 2 0 270.380 1.960 10 0 CDAERP C[C@@H]1C[C@H](C[NH+]2CCN(c3cccc(O)c3)CC2)CC[NH2+]1 ZINC000414682703 241319275 /nfs/dbraw/zinc/31/92/75/241319275.db2.gz RTTSGRSYDGBKGY-HUUCEWRRSA-N 2 0 289.423 1.902 10 0 CDAERP C(C[NH2+][C@H]1CCCC[C@H]1C1CC1)CN1CC[NH2+]CC1 ZINC000414778387 241382390 /nfs/dbraw/zinc/38/23/90/241382390.db2.gz IAMBYGXFVKTUJY-HOTGVXAUSA-N 2 0 265.445 1.840 10 0 CDAERP c1ccc(OCCCC[NH2+]CCCN2CC[NH2+]CC2)cc1 ZINC000414779400 241382729 /nfs/dbraw/zinc/38/27/29/241382729.db2.gz JOYLVPRPXFFZQP-UHFFFAOYSA-N 2 0 291.439 1.731 10 0 CDAERP CC(C)C(=O)NCC[N@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000566978472 370853976 /nfs/dbraw/zinc/85/39/76/370853976.db2.gz MJEZQKOKIBYYEA-UHFFFAOYSA-N 2 0 289.423 1.536 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000627001818 367223806 /nfs/dbraw/zinc/22/38/06/367223806.db2.gz MPWVRDGZYRRCQU-GFJIZPEISA-N 2 0 282.432 1.156 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1[NH2+]CCCC1(C)C)[N@H+](C)C1CC1 ZINC000219943098 367276309 /nfs/dbraw/zinc/27/63/09/367276309.db2.gz AXKJZUZWSNNKMK-YPMHNXCESA-N 2 0 267.417 1.364 10 0 CDAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CC[C@@H]([NH3+])C3)CC[C@H]21 ZINC000227333433 367394258 /nfs/dbraw/zinc/39/42/58/367394258.db2.gz IBFSGZPHTMOGHG-AAVRWANBSA-N 2 0 265.401 1.057 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)NCc2ccc3c(c2)C[NH2+]C3)C[NH2+]1 ZINC000627086725 367407573 /nfs/dbraw/zinc/40/75/73/367407573.db2.gz CKARMQNJYQKVKC-ABAIWWIYSA-N 2 0 288.395 1.230 10 0 CDAERP O=C(NCCC[C@@H]1CCC[NH2+]1)N[C@H]1CC[NH2+]C12CCC2 ZINC000627100728 367439498 /nfs/dbraw/zinc/43/94/98/367439498.db2.gz PEOKFICHOJOJTC-STQMWFEESA-N 2 0 280.416 1.102 10 0 CDAERP CC1=CC[N@H+](CCNC(=O)NC[C@H](C)[NH+](C)C2CC2)CC1 ZINC000358180993 367495787 /nfs/dbraw/zinc/49/57/87/367495787.db2.gz BULAGKYZOJSIHG-AWEZNQCLSA-N 2 0 294.443 1.420 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CCC2CCS(=O)(=O)CC2)CC[N@@H+]1C ZINC000358296141 367581387 /nfs/dbraw/zinc/58/13/87/367581387.db2.gz DRBPAJJPCWEWDL-OCCSQVGLSA-N 2 0 288.457 1.274 10 0 CDAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000416822908 242167947 /nfs/dbraw/zinc/16/79/47/242167947.db2.gz GMNKCSKWLGACIS-UONOGXRCSA-N 2 0 296.459 1.548 10 0 CDAERP [NH3+]CCCNC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000416830954 242173682 /nfs/dbraw/zinc/17/36/82/242173682.db2.gz VJVPATUNFCZYOO-UHFFFAOYSA-N 2 0 296.459 1.823 10 0 CDAERP C[C@@H]1[C@H]([NH3+])CCN1C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000416888350 242212414 /nfs/dbraw/zinc/21/24/14/242212414.db2.gz OQXVSAOXZFITHA-IUODEOHRSA-N 2 0 290.411 1.379 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000416999338 242258077 /nfs/dbraw/zinc/25/80/77/242258077.db2.gz CASRJYTVPCUWAZ-UPJWGTAASA-N 2 0 270.421 1.156 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000417050783 242292768 /nfs/dbraw/zinc/29/27/68/242292768.db2.gz XUEYFVLUOGRGKL-MGPQQGTHSA-N 2 0 284.448 1.533 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000417390142 242451401 /nfs/dbraw/zinc/45/14/01/242451401.db2.gz JRDMMHHWJGSMGQ-UKRRQHHQSA-N 2 0 296.459 1.548 10 0 CDAERP C[C@H]1CC[C@@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C[NH2+]1 ZINC000627200892 367694340 /nfs/dbraw/zinc/69/43/40/367694340.db2.gz VDFCFFXVRMQDBP-DGAVXFQQSA-N 2 0 280.416 1.005 10 0 CDAERP CCC(C)(C)[NH+]1CCN(C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627210463 367710471 /nfs/dbraw/zinc/71/04/71/367710471.db2.gz QIFHGAQXBRZIMT-KGLIPLIRSA-N 2 0 296.459 1.643 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000627242359 367810304 /nfs/dbraw/zinc/81/03/04/367810304.db2.gz RMBRVEIJOOCTBA-DZGCQCFKSA-N 2 0 296.459 1.500 10 0 CDAERP COC(=O)[C@@H](C)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000282219166 367778657 /nfs/dbraw/zinc/77/86/57/367778657.db2.gz YOJZGVFQSHOQBT-OLZOCXBDSA-N 2 0 291.395 1.960 10 0 CDAERP O=C(CCC1C[NH2+]C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000638065668 367957725 /nfs/dbraw/zinc/95/77/25/367957725.db2.gz BWLUHOMUVLLKAN-UHFFFAOYSA-N 2 0 279.428 1.320 10 0 CDAERP C[C@H](CCCC[NH3+])NC(=O)NCC1([NH3+])CCCCCC1 ZINC000418280655 242887118 /nfs/dbraw/zinc/88/71/18/242887118.db2.gz BLFAQXHMSKAKQD-CYBMUJFWSA-N 2 0 284.448 1.855 10 0 CDAERP CC[C@H]1[C@H](C)CC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000360451574 368298892 /nfs/dbraw/zinc/29/88/92/368298892.db2.gz HJMANICTMRCWKZ-CJNGLKHVSA-N 2 0 293.455 1.850 10 0 CDAERP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]C[C@H](O)CC1CCCC1 ZINC000564210613 368358373 /nfs/dbraw/zinc/35/83/73/368358373.db2.gz GNTJGPURMVAZKU-DLBZAZTESA-N 2 0 298.471 1.754 10 0 CDAERP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)C1 ZINC000418446389 243087565 /nfs/dbraw/zinc/08/75/65/243087565.db2.gz IBVWDXGSFVDKFI-AEGPPILISA-N 2 0 290.411 1.455 10 0 CDAERP C[C@@H]1CCN(C(=O)NC[C@H]([NH3+])c2ccccc2)C[C@@H]1C[NH3+] ZINC000418449410 243092405 /nfs/dbraw/zinc/09/24/05/243092405.db2.gz KEFYICWIEYTCBX-SNPRPXQTSA-N 2 0 290.411 1.313 10 0 CDAERP C[C@H](CNC(=O)CCC1C[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000638114556 368470668 /nfs/dbraw/zinc/47/06/68/368470668.db2.gz XGWFMGDFVAFKFY-CQSZACIVSA-N 2 0 289.423 1.623 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000418586679 243243164 /nfs/dbraw/zinc/24/31/64/243243164.db2.gz ZXOIGNXUVDPSFG-CHWSQXEVSA-N 2 0 282.432 1.110 10 0 CDAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NC(C)(C)CCC[NH+](C)C ZINC000418598185 243257287 /nfs/dbraw/zinc/25/72/87/243257287.db2.gz QJMQSEAMABXEPH-STQMWFEESA-N 2 0 284.448 1.404 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)CCCC[NH3+])[C@H](C)C1 ZINC000418668658 243325867 /nfs/dbraw/zinc/32/58/67/243325867.db2.gz GVFFROPLNGAOFY-ILXRZTDVSA-N 2 0 298.475 1.876 10 0 CDAERP CCN(CCC[NH+]1CCCC1)C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000418695339 243348672 /nfs/dbraw/zinc/34/86/72/243348672.db2.gz JIRUMDQWIRMULJ-CHWSQXEVSA-N 2 0 270.421 1.240 10 0 CDAERP O=C([C@H]1CC[NH2+]1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000335823128 296123900 /nfs/dbraw/zinc/12/39/00/296123900.db2.gz HWVAQZZLGKAFCT-LSDHHAIUSA-N 2 0 279.428 1.463 10 0 CDAERP CC1([NH3+])CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000638195338 368656743 /nfs/dbraw/zinc/65/67/43/368656743.db2.gz FNWUOYQMQRHGPZ-UHFFFAOYSA-N 2 0 265.401 1.202 10 0 CDAERP CC[C@@H]1CN(CC[C@H]2CCC[N@@H+]2C)C[C@]2(CCOC2)O1 ZINC000361507346 368859531 /nfs/dbraw/zinc/85/95/31/368859531.db2.gz DPQXTONTZWXDCZ-OAGGEKHMSA-N 2 0 282.428 1.741 10 0 CDAERP CN(C(=O)C1=CC[C@@H]([NH3+])C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638271875 369053634 /nfs/dbraw/zinc/05/36/34/369053634.db2.gz FDHCXYPECIXDMY-IAGOWNOFSA-N 2 0 299.418 1.767 10 0 CDAERP Cn1cc(C[N@H+](C)CC[C@@H]2CC[NH2+]C2)c(C(F)(F)F)n1 ZINC000420376363 244171224 /nfs/dbraw/zinc/17/12/24/244171224.db2.gz QQEMKXYTUWZVIK-JTQLQIEISA-N 2 0 290.333 1.870 10 0 CDAERP C[N@H+](CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C1CC1 ZINC000368104920 369360377 /nfs/dbraw/zinc/36/03/77/369360377.db2.gz LRANCVWSDRTOAB-OAHLLOKOSA-N 2 0 285.407 1.409 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+][C@H]2CCCc3n[nH]cc32)CC1 ZINC000368617589 369538838 /nfs/dbraw/zinc/53/88/38/369538838.db2.gz XRVDMCGWKWWIMF-HNNXBMFYSA-N 2 0 291.443 1.404 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000249749500 370182061 /nfs/dbraw/zinc/18/20/61/370182061.db2.gz BNYQPJIFQDRHRB-KGLIPLIRSA-N 2 0 294.443 1.254 10 0 CDAERP C[NH2+]CCCC(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000371283547 370240201 /nfs/dbraw/zinc/24/02/01/370240201.db2.gz LEAJKIXVTKANOQ-UHFFFAOYSA-N 2 0 261.369 1.424 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000418196859 370286897 /nfs/dbraw/zinc/28/68/97/370286897.db2.gz IKEXEOOTBKWAKR-SOUVJXGZSA-N 2 0 296.459 1.500 10 0 CDAERP C[C@H](CCC[NH3+])NC(=O)NCC1([NH3+])CCCCCC1 ZINC000418282555 370450971 /nfs/dbraw/zinc/45/09/71/370450971.db2.gz HMHRACAEBYERJG-GFCCVEGCSA-N 2 0 270.421 1.465 10 0 CDAERP C[C@H](CN[C@H](C)c1c[nH+]ccc1N)C[NH+]1CCCC1 ZINC000422724882 245180539 /nfs/dbraw/zinc/18/05/39/245180539.db2.gz WXEQICVUZAWXCG-CHWSQXEVSA-N 2 0 262.401 1.877 10 0 CDAERP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1N1CCOCC1 ZINC000414965771 371104444 /nfs/dbraw/zinc/10/44/44/371104444.db2.gz VXZNKJFNFOZFDU-HOCLYGCPSA-N 2 0 289.423 1.611 10 0 CDAERP CCc1nc(CC[NH2+][C@H](CCC[NH3+])COC)cs1 ZINC000422899226 245383317 /nfs/dbraw/zinc/38/33/17/245383317.db2.gz HCXFYUSXQFSDFA-LLVKDONJSA-N 2 0 271.430 1.592 10 0 CDAERP CC(C)[NH+](CCNC(=O)N1CC[NH+]2CCC1CC2)C(C)C ZINC000376785993 371336422 /nfs/dbraw/zinc/33/64/22/371336422.db2.gz BIIIAQRLLBXWPT-UHFFFAOYSA-N 2 0 296.459 1.595 10 0 CDAERP CCN1CC[C@@H]([NH2+]Cc2ccc(C(=O)NC)cc2)C1 ZINC000336903381 371573447 /nfs/dbraw/zinc/57/34/47/371573447.db2.gz VDXZPOLXFCPBLZ-CQSZACIVSA-N 2 0 261.369 1.230 10 0 CDAERP C[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000573739273 371643167 /nfs/dbraw/zinc/64/31/67/371643167.db2.gz IMDQLRYGPLJQFZ-AAEUAGOBSA-N 2 0 264.373 1.141 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1COc2ccccc2O1 ZINC000336819342 371646556 /nfs/dbraw/zinc/64/65/56/371646556.db2.gz ZISIWIIYIBTSEO-STQMWFEESA-N 2 0 264.369 1.934 10 0 CDAERP [NH3+]Cc1ccc(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)cc1 ZINC000378400734 371949328 /nfs/dbraw/zinc/94/93/28/371949328.db2.gz IXQIMECRJWBEOO-UHFFFAOYSA-N 2 0 282.347 1.438 10 0 CDAERP C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)C1CC[NH+](C2CC2)CC1 ZINC000192784635 372049049 /nfs/dbraw/zinc/04/90/49/372049049.db2.gz OFRCVRGAOGDTIO-STQMWFEESA-N 2 0 279.428 1.412 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000173832003 372540504 /nfs/dbraw/zinc/54/05/04/372540504.db2.gz OVUOTJZBZGRFAM-ZIAGYGMSSA-N 2 0 284.448 1.500 10 0 CDAERP CC[N@H+](CCNC(=O)N(C)C[C@H]1CCC[NH+]1CC)C1CC1 ZINC000177488635 372867864 /nfs/dbraw/zinc/86/78/64/372867864.db2.gz UNBTXXPOTKECSB-OAHLLOKOSA-N 2 0 296.459 1.596 10 0 CDAERP C[C@@H]1CC[C@H]([NH2+]C2CCC([NH3+])CC2)[C@@H](n2cncn2)C1 ZINC000333285730 205184841 /nfs/dbraw/zinc/18/48/41/205184841.db2.gz NFZQQDZDJINEIM-UWMJVVDFSA-N 2 0 277.416 1.867 10 0 CDAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000333392285 205281665 /nfs/dbraw/zinc/28/16/65/205281665.db2.gz OXYHWRJLNMMIOJ-QPSCCSFWSA-N 2 0 296.459 1.402 10 0 CDAERP CC[C@@H](C(=O)N1CCC[N@@H+](C2CC2)CC1)[NH+](C)C ZINC000178706456 372982713 /nfs/dbraw/zinc/98/27/13/372982713.db2.gz DPRGNDZWRYKDOB-ZDUSSCGKSA-N 2 0 253.390 1.023 10 0 CDAERP C[C@H](CCNC(=O)N[C@@H]1CCCC[NH2+]C1)[NH+]1CCCCC1 ZINC000333528544 205408079 /nfs/dbraw/zinc/40/80/79/205408079.db2.gz HPZUBWBKCYYFNJ-HUUCEWRRSA-N 2 0 296.459 1.692 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)NCC[NH+](C)C2CC2)CC[N@@H+]1C ZINC000341112766 373309020 /nfs/dbraw/zinc/30/90/20/373309020.db2.gz APPKDZSGLJYWAG-OCCSQVGLSA-N 2 0 282.432 1.205 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1C ZINC000341200968 373470911 /nfs/dbraw/zinc/47/09/11/373470911.db2.gz LMIJIKORYAYRBJ-UMVBOHGHSA-N 2 0 294.443 1.347 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H](C[NH2+]CCF)C1 ZINC001661794556 1172447663 /nfs/dbraw/zinc/44/76/63/1172447663.db2.gz ZILMJZLIDOJFLD-LSDHHAIUSA-N 2 0 299.434 1.659 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000582011757 373537623 /nfs/dbraw/zinc/53/76/23/373537623.db2.gz MKDNXOPONRZMOV-UONOGXRCSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)[NH2+]CCN1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000193442959 373747702 /nfs/dbraw/zinc/74/77/02/373747702.db2.gz SJAIRINUTKZOJI-HNNXBMFYSA-N 2 0 269.433 1.029 10 0 CDAERP C[C@@H](C[C@@H]1COCC[NH2+]1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000643469284 374011497 /nfs/dbraw/zinc/01/14/97/374011497.db2.gz HCJSNCYAXYGSCG-QWHCGFSZSA-N 2 0 287.367 1.446 10 0 CDAERP CC(C)C[C@H](C[NH3+])NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000418411468 374376288 /nfs/dbraw/zinc/37/62/88/374376288.db2.gz FTEBUVLOQJKPKE-ZIAGYGMSSA-N 2 0 280.416 1.016 10 0 CDAERP CCn1ccnc1CN1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000106383624 374434178 /nfs/dbraw/zinc/43/41/78/374434178.db2.gz QRKQDZBIEOFDAZ-AWEZNQCLSA-N 2 0 292.427 1.588 10 0 CDAERP C[C@@H](CCC[NH3+])NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000418683436 374478646 /nfs/dbraw/zinc/47/86/46/374478646.db2.gz BHOKZYHMJCIOQX-GJZGRUSLSA-N 2 0 296.459 1.774 10 0 CDAERP CC[NH+](CC)CCN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000119741899 374567152 /nfs/dbraw/zinc/56/71/52/374567152.db2.gz AMSMLDWDZBSEEJ-CABCVRRESA-N 2 0 253.434 1.744 10 0 CDAERP CC(C)n1cncc1C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000424145218 246354692 /nfs/dbraw/zinc/35/46/92/246354692.db2.gz NBPWERRGPORRMS-UHFFFAOYSA-N 2 0 293.459 1.580 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC([NH+](C)C)CC1 ZINC000334402622 375269796 /nfs/dbraw/zinc/26/97/96/375269796.db2.gz ZSANQEXHNHNBHU-BETUJISGSA-N 2 0 267.417 1.412 10 0 CDAERP C[NH2+]Cc1cccc(NC(=O)NC[C@@H]2CCC[N@@H+]2C)c1 ZINC000415925195 375492615 /nfs/dbraw/zinc/49/26/15/375492615.db2.gz ZVUJCCBPUBDDBU-AWEZNQCLSA-N 2 0 276.384 1.622 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000416000742 375519385 /nfs/dbraw/zinc/51/93/85/375519385.db2.gz YVMMGHNKPGPFHF-ZJUUUORDSA-N 2 0 298.353 1.296 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000417239772 375740233 /nfs/dbraw/zinc/74/02/33/375740233.db2.gz OMMRHBRBLUTYCK-IHRRRGAJSA-N 2 0 296.459 1.628 10 0 CDAERP C[C@@H]1C[C@@H](N2CCC[C@H]([NH3+])C2=O)C[N@@H+]1Cc1ccccc1 ZINC000306565712 375770274 /nfs/dbraw/zinc/77/02/74/375770274.db2.gz FSQADVFZDYCFOP-BMFZPTHFSA-N 2 0 287.407 1.599 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)N[C@H](C)CC[NH3+])CC1 ZINC000418523917 284580709 /nfs/dbraw/zinc/58/07/09/284580709.db2.gz KTBGOEZBGHPUSF-CYBMUJFWSA-N 2 0 284.448 1.487 10 0 CDAERP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc3oc(=O)n(C)c3c2)C1 ZINC000631821632 376641935 /nfs/dbraw/zinc/64/19/35/376641935.db2.gz DPIFGWUHRGSKFT-AAEUAGOBSA-N 2 0 289.379 1.691 10 0 CDAERP CC[NH+](CC)CCCCNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000236845383 284584302 /nfs/dbraw/zinc/58/43/02/284584302.db2.gz OTSVYTANSCCOKW-KBPBESRZSA-N 2 0 269.433 1.742 10 0 CDAERP NC(=O)c1ccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631888211 376782126 /nfs/dbraw/zinc/78/21/26/376782126.db2.gz XJOARYOKSUDGPT-GJZGRUSLSA-N 2 0 273.380 1.359 10 0 CDAERP CCN1CC[C@H]([N@H+](C)C[C@H](C)CS(C)(=O)=O)[C@@H](C)C1 ZINC000246626731 376960303 /nfs/dbraw/zinc/96/03/03/376960303.db2.gz SMTDKQFMADLZBS-IHRRRGAJSA-N 2 0 290.473 1.329 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417443782 377147364 /nfs/dbraw/zinc/14/73/64/377147364.db2.gz AYOAKFDOYONSES-SOUVJXGZSA-N 2 0 296.459 1.358 10 0 CDAERP C[C@@H](CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)[N@H+](C)C1CC1 ZINC000417550285 377973372 /nfs/dbraw/zinc/97/33/72/377973372.db2.gz KWCKDOPISHVLKL-FZMZJTMJSA-N 2 0 280.416 1.005 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](C)C[C@H]2CC)CC[N@@H+]1C ZINC000633216097 378217137 /nfs/dbraw/zinc/21/71/37/378217137.db2.gz HDMIXKQFDDINSE-HZSPNIEDSA-N 2 0 267.417 1.269 10 0 CDAERP C[C@@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@H](C)C[NH2+]1 ZINC000417779572 378722686 /nfs/dbraw/zinc/72/26/86/378722686.db2.gz BJNPUIXWRCXYBN-MLQJFRMTSA-N 2 0 294.443 1.394 10 0 CDAERP CC[C@H](C)C[NH2+][C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001662387494 1172540571 /nfs/dbraw/zinc/54/05/71/1172540571.db2.gz FMRJDVFLWREQIT-STQMWFEESA-N 2 0 267.417 1.223 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCCCCF ZINC001662414536 1172545524 /nfs/dbraw/zinc/54/55/24/1172545524.db2.gz BCXUXRLHINGTKR-CHWSQXEVSA-N 2 0 273.396 1.172 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CCC[NH+](C)C1 ZINC000634133444 379069440 /nfs/dbraw/zinc/06/94/40/379069440.db2.gz HXEKMIQBUOTZHX-STQMWFEESA-N 2 0 270.421 1.109 10 0 CDAERP CCN1CCO[C@H](C(=O)N2CCC(CC)([NH+](C)C)CC2)C1 ZINC000634122225 379061130 /nfs/dbraw/zinc/06/11/30/379061130.db2.gz SRQDDBLBNOSSIW-AWEZNQCLSA-N 2 0 297.443 1.040 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccco1 ZINC000657573411 412904093 /nfs/dbraw/zinc/90/40/93/412904093.db2.gz LXBSUJDGUSVCMM-ZDUSSCGKSA-N 2 0 253.390 1.641 10 0 CDAERP CC(C)CCC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662148360 412904657 /nfs/dbraw/zinc/90/46/57/412904657.db2.gz JWHVFMZDRWJFQR-OAHLLOKOSA-N 2 0 254.418 1.954 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000662339329 412906386 /nfs/dbraw/zinc/90/63/86/412906386.db2.gz WOPPACSOLLUREY-JYJNAYRXSA-N 2 0 295.471 1.988 10 0 CDAERP C[C@@H]1CC2(CN1C(=O)c1ccc(C[NH3+])cc1)CC[NH2+]CC2 ZINC000335274587 296294327 /nfs/dbraw/zinc/29/43/27/296294327.db2.gz CULNTDDDVLWUAD-CYBMUJFWSA-N 2 0 287.407 1.750 10 0 CDAERP CC(C)n1ccc(C[C@@H](C)[NH2+]CCOCC[NH+](C)C)n1 ZINC000447591794 250391303 /nfs/dbraw/zinc/39/13/03/250391303.db2.gz JAVXWDNODSIRDK-CQSZACIVSA-N 2 0 282.432 1.563 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CCCC[NH2+]2)CC[N@@H+]1C ZINC000634260375 379260193 /nfs/dbraw/zinc/26/01/93/379260193.db2.gz RLCWOTYMNBLASP-MGPQQGTHSA-N 2 0 282.432 1.253 10 0 CDAERP CCN(C(=O)N[C@H](C)CC[NH+](C)C)[C@@H]1CC[N@H+](CC)C1 ZINC000663849577 412911523 /nfs/dbraw/zinc/91/15/23/412911523.db2.gz KWLKLMHDGVFLOW-ZIAGYGMSSA-N 2 0 284.448 1.452 10 0 CDAERP CC(C)C[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H]1C)C(=O)NCC[NH+](C)C ZINC000451150104 251621733 /nfs/dbraw/zinc/62/17/33/251621733.db2.gz RQJNGAMIOUZVKK-TUVASFSCSA-N 2 0 299.459 1.234 10 0 CDAERP C[C@]1(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CC[NH2+]C1 ZINC000659367749 412957579 /nfs/dbraw/zinc/95/75/79/412957579.db2.gz NLSFNAMEMRAJIF-HOCLYGCPSA-N 2 0 289.379 1.286 10 0 CDAERP CCC[NH2+][C@](C)(CO)CCN1CC[NH+](CCC)CC1 ZINC000085217517 184605718 /nfs/dbraw/zinc/60/57/18/184605718.db2.gz DZPXVCZZBCNEGZ-HNNXBMFYSA-N 2 0 271.449 1.155 10 0 CDAERP COCC[N@@H+]1CCC[C@@H]1CN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422702544 285028229 /nfs/dbraw/zinc/02/82/29/285028229.db2.gz KYVCVGQPOPBJIS-ZNMIVQPWSA-N 2 0 269.433 1.217 10 0 CDAERP COCCN1CCC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000422711245 285030513 /nfs/dbraw/zinc/03/05/13/285030513.db2.gz MLGDMMFPAUFVPB-KFWWJZLASA-N 2 0 269.433 1.204 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CC12CC2 ZINC000421757363 285247758 /nfs/dbraw/zinc/24/77/58/285247758.db2.gz MVYOYOWEGCRTTQ-HUUCEWRRSA-N 2 0 293.455 1.661 10 0 CDAERP CN(C)C(=O)[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000656127169 413040467 /nfs/dbraw/zinc/04/04/67/413040467.db2.gz RLQOMFOPCRKCPW-VNQPRFMTSA-N 2 0 289.423 1.746 10 0 CDAERP CC1(C)C[NH2+][C@@H]1C(=O)N(CC[NH3+])CCc1ccccc1 ZINC000648132480 390161940 /nfs/dbraw/zinc/16/19/40/390161940.db2.gz VKGZJFRQEQBPTG-CQSZACIVSA-N 2 0 275.396 1.014 10 0 CDAERP CC(C)C[C@H]([NH3+])C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000236684444 390918730 /nfs/dbraw/zinc/91/87/30/390918730.db2.gz UUDBXLUXTAMADG-OLZOCXBDSA-N 2 0 255.406 1.350 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2=CCCOC2)[C@H]2CCC[C@@H]21 ZINC000367904947 391007384 /nfs/dbraw/zinc/00/73/84/391007384.db2.gz SMDIDXHFYSLWSE-ILXRZTDVSA-N 2 0 250.386 1.796 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2(C)OCCO2)[C@H]2CCC[C@@H]21 ZINC000368610513 391036713 /nfs/dbraw/zinc/03/67/13/391036713.db2.gz ALASMYOKKDUGTF-AGIUHOORSA-N 2 0 254.374 1.212 10 0 CDAERP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527665214 391088346 /nfs/dbraw/zinc/08/83/46/391088346.db2.gz MDTKNRCDUXEHAT-XBFCOCLRSA-N 2 0 252.402 1.467 10 0 CDAERP CN(C(=O)NCC[C@H]1CCC[NH2+]C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000418345956 391348272 /nfs/dbraw/zinc/34/82/72/391348272.db2.gz MAFRUNJIKDLSNN-HIFRSBDPSA-N 2 0 294.443 1.254 10 0 CDAERP CC(C)COC[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353515933 391395061 /nfs/dbraw/zinc/39/50/61/391395061.db2.gz IOPYPUJAUWCAKI-FPCVCCKLSA-N 2 0 284.444 1.482 10 0 CDAERP COCCC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000111230923 391395459 /nfs/dbraw/zinc/39/54/59/391395459.db2.gz YVAUWJSZPJELKG-OAHLLOKOSA-N 2 0 269.433 1.125 10 0 CDAERP CS[C@@H]1CC[C@@H]1[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000425333767 391468004 /nfs/dbraw/zinc/46/80/04/391468004.db2.gz FQLJUDLEWNGCGN-MELADBBJSA-N 2 0 271.474 1.496 10 0 CDAERP Cc1noc([C@@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC000647980233 391475726 /nfs/dbraw/zinc/47/57/26/391475726.db2.gz PMKSRGAGVFZUPL-JLLWLGSASA-N 2 0 250.346 1.370 10 0 CDAERP Cn1cnc(CCC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)n1 ZINC000647801152 391664351 /nfs/dbraw/zinc/66/43/51/391664351.db2.gz PPQXPQLGRQKNQD-ZIAGYGMSSA-N 2 0 271.368 1.482 10 0 CDAERP COC(=O)c1ccc(Cl)c(CN[C@@H](C)[C@@H](C)[NH3+])c1 ZINC000415018269 391725382 /nfs/dbraw/zinc/72/53/82/391725382.db2.gz QMFXASUHZMJKHM-BDAKNGLRSA-N 2 0 270.760 1.952 10 0 CDAERP CC(C)[C@H](C[NH2+][C@@H]1COC2(CCC2)C1)N1CC[NH+](C)CC1 ZINC000657834831 413050295 /nfs/dbraw/zinc/05/02/95/413050295.db2.gz VPQNSBOCHGPPRU-HOTGVXAUSA-N 2 0 295.471 1.560 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)CCC(C)(C)[NH3+])cc1 ZINC000647853612 391861196 /nfs/dbraw/zinc/86/11/96/391861196.db2.gz HGLQSLNMFGCGQN-LLVKDONJSA-N 2 0 263.385 1.840 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)CCC(C)(C)[NH3+] ZINC000649293562 391903526 /nfs/dbraw/zinc/90/35/26/391903526.db2.gz XXZXBURAZCDDQV-LBPRGKRZSA-N 2 0 255.406 1.495 10 0 CDAERP [NH3+]C[C@H]1c2ccccc2CCN1CCC1CC[NH2+]CC1 ZINC000567896411 391983803 /nfs/dbraw/zinc/98/38/03/391983803.db2.gz JHWPCXVFPPQDAW-KRWDZBQOSA-N 2 0 273.424 1.934 10 0 CDAERP C[C@@]1(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC[NH2+]C1 ZINC000649319243 392011349 /nfs/dbraw/zinc/01/13/49/392011349.db2.gz RTKNWCBCKMBIBG-CQSZACIVSA-N 2 0 271.324 1.205 10 0 CDAERP CC[C@H](Cn1cncn1)[NH2+]CCC1CC[NH+](C)CC1 ZINC000438829127 391968662 /nfs/dbraw/zinc/96/86/62/391968662.db2.gz JIOBZQWBUYIMMD-CQSZACIVSA-N 2 0 265.405 1.378 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000250505581 392227902 /nfs/dbraw/zinc/22/79/02/392227902.db2.gz NDHIYOOSMOJLDI-MJBXVCDLSA-N 2 0 267.417 1.364 10 0 CDAERP CC1(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CCC1 ZINC000422924463 392271969 /nfs/dbraw/zinc/27/19/69/392271969.db2.gz YLRFPLZYPQGFGN-HZSPNIEDSA-N 2 0 252.402 1.923 10 0 CDAERP Cc1cc(N2CCC[C@H]([NH2+][C@H](C)CCCC[NH3+])C2)n(C)n1 ZINC000423075625 392320510 /nfs/dbraw/zinc/32/05/10/392320510.db2.gz OZNZSWKPXQRZQH-HIFRSBDPSA-N 2 0 293.459 1.804 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCN1CCCC(C)(C)C1 ZINC000423076011 392320930 /nfs/dbraw/zinc/32/09/30/392320930.db2.gz PWPSPKDHQOGTNJ-CQSZACIVSA-N 2 0 271.449 1.452 10 0 CDAERP [NH3+]C[C@H]1CC[C@H](CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000529337001 392340228 /nfs/dbraw/zinc/34/02/28/392340228.db2.gz HOCAFZALEVECRV-MGPQQGTHSA-N 2 0 294.443 1.335 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000423103646 392346177 /nfs/dbraw/zinc/34/61/77/392346177.db2.gz XSGUFIGIACBMCX-RFGFWPKPSA-N 2 0 268.401 1.825 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCN(c2ccccc2F)C1 ZINC000423137333 392375717 /nfs/dbraw/zinc/37/57/17/392375717.db2.gz WCUGHJPHBPGZIO-KBPBESRZSA-N 2 0 295.402 1.748 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1COc2c(C)cccc2C1 ZINC000423141854 392381933 /nfs/dbraw/zinc/38/19/33/392381933.db2.gz SANSIYKQOWWRSJ-GJZGRUSLSA-N 2 0 278.396 1.642 10 0 CDAERP C[NH2+]CCN[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000423224608 392454807 /nfs/dbraw/zinc/45/48/07/392454807.db2.gz JMXDZXKLSREUGO-HOCLYGCPSA-N 2 0 261.413 1.706 10 0 CDAERP [NH3+]C1(CC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CCC1 ZINC000645889438 392474079 /nfs/dbraw/zinc/47/40/79/392474079.db2.gz JCYAOVBCBUKDRJ-UHFFFAOYSA-N 2 0 271.324 1.477 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)NCC[NH2+]C1CC1 ZINC000646686666 392653901 /nfs/dbraw/zinc/65/39/01/392653901.db2.gz RJTQQCZESUGCDT-CYBMUJFWSA-N 2 0 253.390 1.119 10 0 CDAERP CC(C)[C@H](C(=O)N(C)CCC[NH+](C)C)[NH+]1CCCCC1 ZINC000540516061 392774380 /nfs/dbraw/zinc/77/43/80/392774380.db2.gz MAZDCFDUHAVWDM-OAHLLOKOSA-N 2 0 283.460 1.907 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N(C)CC[C@H]2CCCC[NH+]2C)C1 ZINC000517392409 392884659 /nfs/dbraw/zinc/88/46/59/392884659.db2.gz ZFEYBPQRWLDJSK-LSDHHAIUSA-N 2 0 281.444 1.661 10 0 CDAERP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000548748118 393363534 /nfs/dbraw/zinc/36/35/34/393363534.db2.gz VRIRLZDRTLPZRT-AJNGGQMLSA-N 2 0 281.444 1.515 10 0 CDAERP C[NH+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000193557567 393377000 /nfs/dbraw/zinc/37/70/00/393377000.db2.gz NYNRNOIIKGBBJE-UHFFFAOYSA-N 2 0 275.396 1.460 10 0 CDAERP [NH3+][C@@H](CC(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1)c1ccccc1 ZINC000186562117 140064223 /nfs/dbraw/zinc/06/42/23/140064223.db2.gz PQSMVVINXKSGJB-HOCLYGCPSA-N 2 0 287.407 1.820 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(F)c(F)c1 ZINC000234794251 140232121 /nfs/dbraw/zinc/23/21/21/140232121.db2.gz VTMHOSQNDVITGI-NSHDSACASA-N 2 0 258.312 1.808 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N1CC[NH+]2CCCC[C@H]2C1 ZINC000245426220 140266031 /nfs/dbraw/zinc/26/60/31/140266031.db2.gz FSLKUXBFIKYKSS-HNNXBMFYSA-N 2 0 296.459 1.598 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000251852835 140314521 /nfs/dbraw/zinc/31/45/21/140314521.db2.gz RPTDAADFDFWCBG-IPYPFGDCSA-N 2 0 265.401 1.071 10 0 CDAERP C[C@H](NC(=O)C1C[NH2+]C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261549137 140344865 /nfs/dbraw/zinc/34/48/65/140344865.db2.gz OFUSOYGKPUAHFD-ZFWWWQNUSA-N 2 0 287.407 1.233 10 0 CDAERP CCC[N@H+](C)CC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000261682766 140374576 /nfs/dbraw/zinc/37/45/76/140374576.db2.gz HOCSXZCYNGRERR-UHFFFAOYSA-N 2 0 279.359 1.752 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C[N@@H+]1C1CC1 ZINC000261825240 140395695 /nfs/dbraw/zinc/39/56/95/140395695.db2.gz OIPKKGDIPVLHAS-HKUMRIAESA-N 2 0 265.401 1.103 10 0 CDAERP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)[C@@H](C)OC)CC[NH2+]CC1 ZINC000423143280 285666329 /nfs/dbraw/zinc/66/63/29/285666329.db2.gz WVCNROWXHRMPTN-UPJWGTAASA-N 2 0 286.416 1.321 10 0 CDAERP C[C@H](NC(=O)NCC[N@@H+]1CCC[C@@H](C)C1)c1nccn1C ZINC000660395082 413097794 /nfs/dbraw/zinc/09/77/94/413097794.db2.gz GRUHBIQNAZKQQA-OLZOCXBDSA-N 2 0 293.415 1.512 10 0 CDAERP CO[C@](C)(CO)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000656266107 413146656 /nfs/dbraw/zinc/14/66/56/413146656.db2.gz CJKNVONXPYNNKC-HNNXBMFYSA-N 2 0 279.384 1.037 10 0 CDAERP O=C(C[NH2+]CC1CC1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662595358 413165849 /nfs/dbraw/zinc/16/58/49/413165849.db2.gz WICIZJGPWZFRTG-HNNXBMFYSA-N 2 0 279.428 1.224 10 0 CDAERP CCc1cccc(CNC[C@H](O)C[N@H+](C)C2CC2)c1 ZINC000649487378 397769196 /nfs/dbraw/zinc/76/91/96/397769196.db2.gz BPBSXYOGPHMYHL-INIZCTEOSA-N 2 0 262.397 1.794 10 0 CDAERP C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1C)[NH+]1[C@H](C)CC[C@H]1C ZINC000101657473 397811079 /nfs/dbraw/zinc/81/10/79/397811079.db2.gz DTWWBLLDZXAAOT-MQYQWHSLSA-N 2 0 267.417 1.458 10 0 CDAERP Cc1cc(C)n(CC[N@@H+](C)[C@H]2CCC[NH2+]CC2)n1 ZINC000395310488 397862952 /nfs/dbraw/zinc/86/29/52/397862952.db2.gz GTQPXAYRAMKJEZ-AWEZNQCLSA-N 2 0 250.390 1.574 10 0 CDAERP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(Cn2cnnc2)CC1 ZINC000649785527 397955333 /nfs/dbraw/zinc/95/53/33/397955333.db2.gz JEQUMVFBTVHHNV-HNNXBMFYSA-N 2 0 277.416 1.474 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)C1CCC([NH3+])CC1)c1ccccc1 ZINC000040802827 397899315 /nfs/dbraw/zinc/89/93/15/397899315.db2.gz LQERNMSQALZWSK-UYSNPLJNSA-N 2 0 289.423 1.923 10 0 CDAERP [NH3+]C1CCC(C(=O)N2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000037826957 398113216 /nfs/dbraw/zinc/11/32/16/398113216.db2.gz UNCKWPNHNDWFQV-UHFFFAOYSA-N 2 0 293.455 1.981 10 0 CDAERP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)[C@@H]1CCOC1 ZINC000658105875 413204610 /nfs/dbraw/zinc/20/46/10/413204610.db2.gz FFJHGCIRQGQPSK-RRFJBIMHSA-N 2 0 271.449 1.273 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1COC(C)(C)C1 ZINC000658106133 413207032 /nfs/dbraw/zinc/20/70/32/413207032.db2.gz FXFYDLQECJWQTI-UONOGXRCSA-N 2 0 271.449 1.416 10 0 CDAERP C[C@@H](Cn1ccnc1)NC(=O)c1cc(-n2ccnc2)ccn1 ZINC000352405024 155165967 /nfs/dbraw/zinc/16/59/67/155165967.db2.gz KMMVPMAKHWBQCL-LBPRGKRZSA-N 2 0 296.334 1.282 10 0 CDAERP Cc1nn(C)cc1C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000179514975 148117098 /nfs/dbraw/zinc/11/70/98/148117098.db2.gz WMCLPLHQTJQLPI-ZDUSSCGKSA-N 2 0 294.443 1.253 10 0 CDAERP C[C@@H](NCCC[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309906158 149190019 /nfs/dbraw/zinc/19/00/19/149190019.db2.gz KINMFIVCXUNOJP-GDBMZVCRSA-N 2 0 261.413 1.835 10 0 CDAERP COCC[C@H](COC)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000314278769 149252341 /nfs/dbraw/zinc/25/23/41/149252341.db2.gz JPIHVNMQSZKNFO-OAHLLOKOSA-N 2 0 293.411 1.692 10 0 CDAERP C[NH+](C)C[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC000680359098 483594282 /nfs/dbraw/zinc/59/42/82/483594282.db2.gz HYUXCJJBIQBYGT-OAHLLOKOSA-N 2 0 281.444 1.661 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc2c(c1)ncn2C ZINC000334859334 150001700 /nfs/dbraw/zinc/00/17/00/150001700.db2.gz YQNSZCQBOPNXPS-DGCLKSJQSA-N 2 0 258.369 1.661 10 0 CDAERP CC[C@@H](C(=O)N(C)CC[NH2+]CC=C(C)C)[NH+](C)C ZINC001664314306 1172837832 /nfs/dbraw/zinc/83/78/32/1172837832.db2.gz YWIMZCPOWTVTSP-ZDUSSCGKSA-N 2 0 255.406 1.341 10 0 CDAERP C[NH+](C)[C@H]1CCCN(C(=O)[C@@](C)([NH3+])c2ccccc2)CC1 ZINC000335052275 150232310 /nfs/dbraw/zinc/23/23/10/150232310.db2.gz MXOVXYQSLUITOG-RDJZCZTQSA-N 2 0 289.423 1.803 10 0 CDAERP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)C1(CO)CC1 ZINC000658155785 413247375 /nfs/dbraw/zinc/24/73/75/413247375.db2.gz QWSXZPOYGGGQDJ-IGQOVBAYSA-N 2 0 252.402 1.610 10 0 CDAERP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CCC(C[NH+]2CCCC2)CC1 ZINC000335823661 151051260 /nfs/dbraw/zinc/05/12/60/151051260.db2.gz PCGSJGAVMYTTIG-RDJZCZTQSA-N 2 0 291.439 1.320 10 0 CDAERP C[C@@H]1CCCCN1C(=O)C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000335884970 151081692 /nfs/dbraw/zinc/08/16/92/151081692.db2.gz SORCGZJXXZFLHJ-CYBMUJFWSA-N 2 0 290.411 1.990 10 0 CDAERP O=C([C@@H]1C[NH2+]Cc2ccccc21)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000335464802 304370126 /nfs/dbraw/zinc/37/01/26/304370126.db2.gz MRSPGJLIVIPYJZ-GOEBONIOSA-N 2 0 285.391 1.226 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCCC[NH+](C)C ZINC000346141750 153068801 /nfs/dbraw/zinc/06/88/01/153068801.db2.gz ZQTRDEBHNQQTIZ-BETUJISGSA-N 2 0 255.406 1.317 10 0 CDAERP CC1CC[NH+](CCCNC(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000662672656 413288647 /nfs/dbraw/zinc/28/86/47/413288647.db2.gz UPVOHURMJXNJMR-UHFFFAOYSA-N 2 0 293.455 1.899 10 0 CDAERP CC[C@H]1C[C@H](C[N@H+](C)CCCN2CC[NH+](C)CC2)CCO1 ZINC000349292614 154082408 /nfs/dbraw/zinc/08/24/08/154082408.db2.gz CZEQZUSKAFDSNF-SJORKVTESA-N 2 0 297.487 1.761 10 0 CDAERP CC(C)OCC[C@H](O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000349904687 154265467 /nfs/dbraw/zinc/26/54/67/154265467.db2.gz CVDZYVNWDLLCMX-KRWDZBQOSA-N 2 0 298.471 1.970 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1CCC ZINC000350044039 154311878 /nfs/dbraw/zinc/31/18/78/154311878.db2.gz XZAUMRLUNMUIAA-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP CCC[NH+](CCC)CCCNC(=O)N(C)CC1C[NH+](C)C1 ZINC000660620824 413305731 /nfs/dbraw/zinc/30/57/31/413305731.db2.gz GDAYSDQYBRVFQZ-UHFFFAOYSA-N 2 0 298.475 1.702 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654457373 413309634 /nfs/dbraw/zinc/30/96/34/413309634.db2.gz JAAJCSZWYVNGHL-MELADBBJSA-N 2 0 282.432 1.110 10 0 CDAERP CC(C)C[C@H]([NH3+])C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000662688428 413314008 /nfs/dbraw/zinc/31/40/08/413314008.db2.gz PDGZXVYWYGBPFV-GJZGRUSLSA-N 2 0 291.395 1.659 10 0 CDAERP C[C@H](CNC(=O)C1([NH2+]C2CC2)CCC1)C[NH+]1CCCC1 ZINC000662687642 413314373 /nfs/dbraw/zinc/31/43/73/413314373.db2.gz IQEYEAXKNSKSLD-CYBMUJFWSA-N 2 0 279.428 1.509 10 0 CDAERP Cc1ccncc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000353936053 156169520 /nfs/dbraw/zinc/16/95/20/156169520.db2.gz ZSCQQMZVMYMZSP-UHFFFAOYSA-N 2 0 263.385 1.592 10 0 CDAERP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CC2([NH3+])CC2)C1 ZINC000662696134 413331483 /nfs/dbraw/zinc/33/14/83/413331483.db2.gz UBOKEFCCNVLRLH-LBPRGKRZSA-N 2 0 267.417 1.495 10 0 CDAERP C[C@H](C(=O)N1CC[NH+]2CCC1CC2)[NH+]1[C@H](C)CC[C@H]1C ZINC000373728041 160223904 /nfs/dbraw/zinc/22/39/04/160223904.db2.gz MPLACOXIBDVTIT-MGPQQGTHSA-N 2 0 279.428 1.554 10 0 CDAERP C(CC[NH+]1C[C@H]2CC[C@@H](C1)O2)CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000374095673 160253694 /nfs/dbraw/zinc/25/36/94/160253694.db2.gz VHQIVVIJBZMYRF-WNKDZCFJSA-N 2 0 294.439 1.883 10 0 CDAERP [NH3+]C1(CC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000662747422 413422218 /nfs/dbraw/zinc/42/22/18/413422218.db2.gz XLVUAGZUNVOKPE-CYBMUJFWSA-N 2 0 265.401 1.202 10 0 CDAERP C[C@H](C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[C@H]([NH3+])c1ccccc1 ZINC000662748310 413424719 /nfs/dbraw/zinc/42/47/19/413424719.db2.gz PJLGLSKWDCEMOT-ASEORRQLSA-N 2 0 279.359 1.220 10 0 CDAERP Cc1nocc1C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000353506189 165078659 /nfs/dbraw/zinc/07/86/59/165078659.db2.gz XAUYGAPKRANNPP-UHFFFAOYSA-N 2 0 292.427 1.442 10 0 CDAERP CC[NH2+]CCCC[NH2+]CCCC[NH2+]CCCC[NH2+]CC ZINC000005650422 170124256 /nfs/dbraw/zinc/12/42/56/170124256.db2.gz QXOCYGPVDXDFLC-UHFFFAOYSA-N 4 0 286.508 1.725 10 0 investigational CDAERP CCC[NH+]1CCN([C@H](C[NH3+])c2ccccc2OC)CC1 ZINC000020179556 171044473 /nfs/dbraw/zinc/04/44/73/171044473.db2.gz NEYVSYPJGUOATG-OAHLLOKOSA-N 2 0 277.412 1.723 10 0 CDAERP C(C[NH2+][C@@H]1CN2CCC1CC2)C[NH+]1CCCCC1 ZINC000020441452 171205055 /nfs/dbraw/zinc/20/50/55/171205055.db2.gz VXGMDVOVUUBQDB-OAHLLOKOSA-N 2 0 251.418 1.546 10 0 CDAERP [NH3+]Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2CCO)cc1 ZINC000022209792 171373003 /nfs/dbraw/zinc/37/30/03/171373003.db2.gz FHJZFJRCBWWXKP-HNNXBMFYSA-N 2 0 291.395 1.321 10 0 CDAERP CC[NH+]1CCN([C@@H](C[NH3+])c2ccc(F)cc2F)CC1 ZINC000022219500 171377203 /nfs/dbraw/zinc/37/72/03/171377203.db2.gz RPICFRAZJBJRIL-AWEZNQCLSA-N 2 0 269.339 1.602 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000653214055 412141436 /nfs/dbraw/zinc/14/14/36/412141436.db2.gz FBVBYDGNVWZDCL-GDBMZVCRSA-N 2 0 273.380 1.022 10 0 CDAERP C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCCC1(C[NH3+])CC1 ZINC000653221452 412148334 /nfs/dbraw/zinc/14/83/34/412148334.db2.gz XKCRGBSPQIXVOG-YPMHNXCESA-N 2 0 253.390 1.139 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)[C@@H]2[NH2+]CCC2(C)C)CC1 ZINC000662787965 413499893 /nfs/dbraw/zinc/49/98/93/413499893.db2.gz DKFCHXCUDKONQP-RUXDESIVSA-N 2 0 281.444 1.611 10 0 CDAERP CN(CC[N@H+](C)C1CC1)C(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662802436 413521994 /nfs/dbraw/zinc/52/19/94/413521994.db2.gz PJIQBFOOHOODLI-UHFFFAOYSA-N 2 0 265.401 1.201 10 0 CDAERP [NH3+]Cc1cccc(OCC[NH+]2CCSCC2)c1 ZINC000035725285 172380081 /nfs/dbraw/zinc/38/00/81/172380081.db2.gz NRDNIRBREDBYAR-UHFFFAOYSA-N 2 0 252.383 1.573 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662852893 413611201 /nfs/dbraw/zinc/61/12/01/413611201.db2.gz NGELUZAXRGPBTQ-CYBMUJFWSA-N 2 0 279.428 1.650 10 0 CDAERP CC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000312754595 413693901 /nfs/dbraw/zinc/69/39/01/413693901.db2.gz MYXFJORPXZMLJF-ZJIFWQFVSA-N 2 0 284.444 1.315 10 0 CDAERP CCC(CC)(C[NH3+])C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662973775 413764325 /nfs/dbraw/zinc/76/43/25/413764325.db2.gz VXWDOYXLEMRYMY-AWEZNQCLSA-N 2 0 299.459 1.321 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000659467537 413857542 /nfs/dbraw/zinc/85/75/42/413857542.db2.gz NYRBDZIRWKKDRG-CHWSQXEVSA-N 2 0 286.464 1.635 10 0 CDAERP CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]CCCc2cncn2C)C1 ZINC000661215443 413896996 /nfs/dbraw/zinc/89/69/96/413896996.db2.gz GHEZUJHMVAPADI-NUEKZKHPSA-N 2 0 295.427 1.508 10 0 CDAERP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)C1 ZINC000665279367 414016551 /nfs/dbraw/zinc/01/65/51/414016551.db2.gz BBCLXPDNGVMFNU-IOSBVQAASA-N 2 0 274.412 1.788 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000659553017 413961405 /nfs/dbraw/zinc/96/14/05/413961405.db2.gz UGNLZIFBQGHPIR-QWHCGFSZSA-N 2 0 270.421 1.191 10 0 CDAERP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC000665235121 413964287 /nfs/dbraw/zinc/96/42/87/413964287.db2.gz QCERTXGQYUUOEQ-OLZOCXBDSA-N 2 0 288.457 1.179 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCc1cnccc1C ZINC000665238925 413966943 /nfs/dbraw/zinc/96/69/43/413966943.db2.gz HRYZSBYXFSDQFE-AWEZNQCLSA-N 2 0 251.374 1.276 10 0 CDAERP Cc1ccncc1CC[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000665239660 413968474 /nfs/dbraw/zinc/96/84/74/413968474.db2.gz WTBCKEXIEJIEKX-NWANDNLSSA-N 2 0 263.385 1.274 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)NCC1([NH3+])CCCC1 ZINC000659561075 413971460 /nfs/dbraw/zinc/97/14/60/413971460.db2.gz UQVUPEKYGOKSAH-UHFFFAOYSA-N 2 0 290.411 1.477 10 0 CDAERP COc1cc2[nH+]ccc(N[C@H](C)[C@@H](C)[NH3+])c2cc1OC ZINC000663242830 414080966 /nfs/dbraw/zinc/08/09/66/414080966.db2.gz VAIJNSAHWZTAGL-NXEZZACHSA-N 2 0 275.352 1.822 10 0 CDAERP CN(C(=O)CC[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000663284837 414122993 /nfs/dbraw/zinc/12/29/93/414122993.db2.gz IRBHZILFZBKGOZ-FZNQNYSPSA-N 2 0 289.423 1.969 10 0 CDAERP COCc1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)o1 ZINC000655827551 414237481 /nfs/dbraw/zinc/23/74/81/414237481.db2.gz TXISVGAWFBRMFQ-TXEJJXNPSA-N 2 0 252.358 1.856 10 0 CDAERP Cn1cc(CC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)cn1 ZINC000657317674 414162809 /nfs/dbraw/zinc/16/28/09/414162809.db2.gz FMECHVLOYKMTEQ-UHFFFAOYSA-N 2 0 282.351 1.333 10 0 CDAERP CCC(O)(CC)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657337493 414195819 /nfs/dbraw/zinc/19/58/19/414195819.db2.gz XDADXNAPIGSVOH-UHFFFAOYSA-N 2 0 274.368 1.908 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C2CCN(c3ccccn3)CC2)C1 ZINC000655805929 414197354 /nfs/dbraw/zinc/19/73/54/414197354.db2.gz NQRDRWAEVVRFCW-FZNQNYSPSA-N 2 0 288.439 1.980 10 0 CDAERP CC[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CO1 ZINC000657398532 414286018 /nfs/dbraw/zinc/28/60/18/414286018.db2.gz CTQTUTCFHBUARP-FZKCQIBNSA-N 2 0 282.428 1.521 10 0 CDAERP CCN(C(=O)NCCC[NH+]1CCCCC1)[C@H]1CC[N@H+](C)C1 ZINC000663499752 414298384 /nfs/dbraw/zinc/29/83/84/414298384.db2.gz LYBJETCCYPMGDF-HNNXBMFYSA-N 2 0 296.459 1.598 10 0 CDAERP CC[C@@H](C)C[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000663505148 414306774 /nfs/dbraw/zinc/30/67/74/414306774.db2.gz FUKRTHJKTRQMIC-CYBMUJFWSA-N 2 0 269.433 1.613 10 0 CDAERP O[C@@H]1CCC[C@H]1[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657488663 414387105 /nfs/dbraw/zinc/38/71/05/414387105.db2.gz FXQMEDKRPKUEEC-ZIAGYGMSSA-N 2 0 258.325 1.270 10 0 CDAERP Cn1ncc(C(F)(F)F)c1C[NH2+]CCOCC[NH+](C)C ZINC000657439026 414330325 /nfs/dbraw/zinc/33/03/25/414330325.db2.gz ZCWUPWUXCDOTII-UHFFFAOYSA-N 2 0 294.321 1.107 10 0 CDAERP OCC1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCCC1 ZINC000657438366 414334371 /nfs/dbraw/zinc/33/43/71/414334371.db2.gz JOTGKFBCWBYMRS-UHFFFAOYSA-N 2 0 286.379 1.910 10 0 CDAERP C(C[NH+]1CC[C@@H]2COC[C@@H]2C1)C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662036190 414481634 /nfs/dbraw/zinc/48/16/34/414481634.db2.gz RBNNYPRSDPNSKL-VQHPVUNQSA-N 2 0 294.439 1.313 10 0 CDAERP Cc1cccc(C[N@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662250962 414584634 /nfs/dbraw/zinc/58/46/34/414584634.db2.gz UFFYFEVTOYESSB-OAHLLOKOSA-N 2 0 260.381 1.948 10 0 CDAERP C[N@@H+](Cc1cccc(O)c1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662250209 414585378 /nfs/dbraw/zinc/58/53/78/414585378.db2.gz AQHWDIWDXOGIHX-AWEZNQCLSA-N 2 0 262.353 1.345 10 0 CDAERP C[C@H](O)C[N@@H+](Cc1ccccc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662251568 414586215 /nfs/dbraw/zinc/58/62/15/414586215.db2.gz FRFAWDTYRJYLAH-GOEBONIOSA-N 2 0 290.407 1.390 10 0 CDAERP CC[N@@H+](Cc1ccccn1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662263672 414599820 /nfs/dbraw/zinc/59/98/20/414599820.db2.gz PDORBVYFLFCJGP-CQSZACIVSA-N 2 0 261.369 1.425 10 0 CDAERP NC[C@@H]([NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1)C1CCCCC1 ZINC000662276646 414607627 /nfs/dbraw/zinc/60/76/27/414607627.db2.gz KUNBXRMEQGUIIP-UONOGXRCSA-N 2 0 267.417 1.005 10 0 CDAERP CCC[NH+]1CCC([C@H](C)[NH2+]C[C@@H]2COCCO2)CC1 ZINC000038060787 174071576 /nfs/dbraw/zinc/07/15/76/174071576.db2.gz PSLBFEWMHIBNTO-DZGCQCFKSA-N 2 0 270.417 1.502 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)CC1CC[NH2+]CC1 ZINC000038075172 174085398 /nfs/dbraw/zinc/08/53/98/174085398.db2.gz HRMINNTXKYZVAN-AWEZNQCLSA-N 2 0 269.433 1.469 10 0 CDAERP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@@H](O)C(C)(C)C)CCO1 ZINC000662322166 414640733 /nfs/dbraw/zinc/64/07/33/414640733.db2.gz FXKGJJRJGWHAGZ-ZIAGYGMSSA-N 2 0 272.433 1.436 10 0 CDAERP CN(C)c1cc[nH+]cc1NC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000040462551 174271386 /nfs/dbraw/zinc/27/13/86/174271386.db2.gz KLGAUVDHZMQPGQ-LLVKDONJSA-N 2 0 250.346 1.460 10 0 CDAERP O=C([C@H]1CCC[N@@H+]1CCc1ccccc1)N1CC[NH2+]CC1 ZINC000040508079 174302677 /nfs/dbraw/zinc/30/26/77/174302677.db2.gz VILINXBKMCUEEX-MRXNPFEDSA-N 2 0 287.407 1.125 10 0 CDAERP CO[C@@H]1C[NH2+][C@@H](CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000040637325 174361885 /nfs/dbraw/zinc/36/18/85/174361885.db2.gz UNNFLYJHPYLYLL-SJORKVTESA-N 2 0 289.423 1.181 10 0 CDAERP [NH3+]C[C@@H](C1CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000040693729 174377764 /nfs/dbraw/zinc/37/77/64/174377764.db2.gz VRVWCPWEXFRCBO-HNNXBMFYSA-N 2 0 251.418 1.674 10 0 CDAERP C[C@@H]([NH3+])[C@@H](c1ccccn1)N1CC[NH+](CC2CC2)CC1 ZINC000043340183 175014311 /nfs/dbraw/zinc/01/43/11/175014311.db2.gz QYIBVWXFKQCKSX-CJNGLKHVSA-N 2 0 274.412 1.498 10 0 CDAERP CCC[NH+]1CCN([C@H](c2cccnc2)[C@@H]([NH3+])CC)CC1 ZINC000043345652 175016994 /nfs/dbraw/zinc/01/69/94/175016994.db2.gz GTBQUAFORVSNSB-JKSUJKDBSA-N 2 0 276.428 1.888 10 0 CDAERP CC[NH+]1CCN([C@H](C)[C@@H]([NH2+]C)c2ccccc2)CC1 ZINC000043805718 175107667 /nfs/dbraw/zinc/10/76/67/175107667.db2.gz FIGFSGZZCDSDQR-GDBMZVCRSA-N 2 0 261.413 1.973 10 0 CDAERP C[NH2+][C@@H](c1ccc(C)cc1)[C@H](C)N1CC[NH+](C)CC1 ZINC000043810522 175109620 /nfs/dbraw/zinc/10/96/20/175109620.db2.gz OJVPKMQTCVFFKF-GOEBONIOSA-N 2 0 261.413 1.891 10 0 CDAERP C[NH2+][C@H](c1ccccc1)[C@@H](C)N1CCC[N@H+](C)CC1 ZINC000043818037 175112784 /nfs/dbraw/zinc/11/27/84/175112784.db2.gz ISYKBPCABAHLMV-ZBFHGGJFSA-N 2 0 261.413 1.973 10 0 CDAERP C[NH2+][C@H](C)[C@H](C)N1CCC([NH+]2CCCCC2)CC1 ZINC000043907799 175123523 /nfs/dbraw/zinc/12/35/23/175123523.db2.gz SUZJPGCPJMEXCG-KGLIPLIRSA-N 2 0 253.434 1.933 10 0 CDAERP C[NH2+][C@H]1CCCC[C@H]1N1CCC(C[NH+](C)C)CC1 ZINC000043970634 175131941 /nfs/dbraw/zinc/13/19/41/175131941.db2.gz KUCNCAYXUXNXNG-LSDHHAIUSA-N 2 0 253.434 1.791 10 0 CDAERP CC[NH2+][C@H]1CCOC[C@@H]1N(CC[NH+](C)C)CC(C)C ZINC000043982290 175134163 /nfs/dbraw/zinc/13/41/63/175134163.db2.gz PRBAPXMQOKCLFI-GJZGRUSLSA-N 2 0 271.449 1.273 10 0 CDAERP CCC[NH+]1CCN([C@H](c2cccnc2)[C@@H](C)[NH3+])CC1 ZINC000044419031 175173383 /nfs/dbraw/zinc/17/33/83/175173383.db2.gz ZQZIEPLRCVXRMH-HIFRSBDPSA-N 2 0 262.401 1.498 10 0 CDAERP C[NH+]1CCC(C[NH2+]C[C@H](O)COCc2cccs2)CC1 ZINC000044518256 175191167 /nfs/dbraw/zinc/19/11/67/175191167.db2.gz MMDDUMHVPZTOEE-AWEZNQCLSA-N 2 0 298.452 1.557 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CNC(=O)C1(C[NH3+])CCCCC1 ZINC000044764408 175248702 /nfs/dbraw/zinc/24/87/02/175248702.db2.gz FTWRFWXJTJZRBL-ZDUSSCGKSA-N 2 0 267.417 1.496 10 0 CDAERP CCCC(C[NH3+])(CCC)C(=O)N[C@H]1C[NH+]2CCC1CC2 ZINC000044794303 175254113 /nfs/dbraw/zinc/25/41/13/175254113.db2.gz HAKQKDZMJDZLGP-AWEZNQCLSA-N 2 0 281.444 1.742 10 0 CDAERP CC[NH2+][C@@](C)(CCCC[N@@H+]1CCCC[C@@H]1C)C(N)=O ZINC000045376083 175366160 /nfs/dbraw/zinc/36/61/60/175366160.db2.gz VUWPJPVPGBIGSP-ZFWWWQNUSA-N 2 0 269.433 1.885 10 0 CDAERP CCC[NH2+][C@@](C)(CCCC[NH+](CC)CC)C(N)=O ZINC000045375859 175366631 /nfs/dbraw/zinc/36/66/31/175366631.db2.gz TXPPBTMXCSIORJ-AWEZNQCLSA-N 2 0 257.422 1.742 10 0 CDAERP C[C@](CCCC[NH+]1CCCC1)([NH2+]C1CC1)C(N)=O ZINC000045375316 175366671 /nfs/dbraw/zinc/36/66/71/175366671.db2.gz HCGCQXMOPVJMST-CQSZACIVSA-N 2 0 253.390 1.249 10 0 CDAERP CCC[N@H+](CC)CCCC[C@](C)([NH2+]C1CC1)C(N)=O ZINC000045386984 175373121 /nfs/dbraw/zinc/37/31/21/175373121.db2.gz JKBFUCUACILXHH-HNNXBMFYSA-N 2 0 269.433 1.885 10 0 CDAERP COC1CC[NH+](CCCC[C@@](C)([NH2+]C2CC2)C(N)=O)CC1 ZINC000045389059 175374221 /nfs/dbraw/zinc/37/42/21/175374221.db2.gz FDDYFSZBDQMFOU-MRXNPFEDSA-N 2 0 297.443 1.264 10 0 CDAERP CC[N@H+](CCCC[C@](C)([NH3+])C(N)=O)C1CCCC1 ZINC000045390463 175374758 /nfs/dbraw/zinc/37/47/58/175374758.db2.gz IPJYLJZNWKEGSJ-AWEZNQCLSA-N 2 0 255.406 1.624 10 0 CDAERP CC(C)[NH2+][C@](C)(CCCN1CC[NH+](C(C)C)CC1)C(N)=O ZINC000045393946 175376267 /nfs/dbraw/zinc/37/62/67/175376267.db2.gz XCYLNZLHOLKFCP-MRXNPFEDSA-N 2 0 298.475 1.035 10 0 CDAERP CCC[NH2+][C@](C)(CCCC[N@@H+]1CCOC(C)(C)C1)C(N)=O ZINC000045418697 175377317 /nfs/dbraw/zinc/37/73/17/175377317.db2.gz LDYWHPWQTAPIES-MRXNPFEDSA-N 2 0 299.459 1.511 10 0 CDAERP CC(C)[NH2+][C@@H]1CCCN(C[C@@H]2CC[N@@H+](C(C)C)C2)C1=O ZINC000071035257 176024913 /nfs/dbraw/zinc/02/49/13/176024913.db2.gz LXKCLKVKCAGNLR-HUUCEWRRSA-N 2 0 281.444 1.706 10 0 CDAERP CC(C)[NH2+][C@H]1CCN([C@@H](C)C[NH+]2CCCCC2)C1=O ZINC000071037353 176025951 /nfs/dbraw/zinc/02/59/51/176025951.db2.gz ZPANOVXBHWZXRP-KBPBESRZSA-N 2 0 267.417 1.460 10 0 CDAERP CC[C@H](c1ccc(O)cc1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071148838 176044482 /nfs/dbraw/zinc/04/44/82/176044482.db2.gz JLVGCOKRDABKJN-MRXNPFEDSA-N 2 0 277.412 1.680 10 0 CDAERP CN1CC[C@H]([N@H+](CCC[NH3+])C2CCCCC2)C1=O ZINC000071183288 176058694 /nfs/dbraw/zinc/05/86/94/176058694.db2.gz ALLAWTLPDGWYCU-ZDUSSCGKSA-N 2 0 253.390 1.201 10 0 CDAERP Cc1c(N)cccc1NC(=O)CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071187670 176060803 /nfs/dbraw/zinc/06/08/03/176060803.db2.gz QMEMZXYRUZXHRF-CYBMUJFWSA-N 2 0 290.411 1.399 10 0 CDAERP CCC[NH2+][C@H]1CCCN([C@@H](C)C[NH+]2CCCC2)C1 ZINC000071201235 176077516 /nfs/dbraw/zinc/07/75/16/176077516.db2.gz WGFOJXRDIASFPR-GJZGRUSLSA-N 2 0 253.434 1.935 10 0 CDAERP C[NH+]1CCC(CN2CCC[C@@H]([NH2+]C3CC3)C2)CC1 ZINC000071201207 176077548 /nfs/dbraw/zinc/07/75/48/176077548.db2.gz CZWIBPNSADSULU-OAHLLOKOSA-N 2 0 251.418 1.545 10 0 CDAERP COCC[N@H+](CCC[NH+]1CCCC1)CCC(N)=S ZINC000071225577 176088876 /nfs/dbraw/zinc/08/88/76/176088876.db2.gz QNFVMAOLVUKFCV-UHFFFAOYSA-N 2 0 273.446 1.097 10 0 CDAERP C[N@H+](CCN[C@H]1CC[NH+](C2CC2)C1)C1CCCC1 ZINC000071377124 176141985 /nfs/dbraw/zinc/14/19/85/176141985.db2.gz UXPKGKYCKCPYRM-ZDUSSCGKSA-N 2 0 251.418 1.687 10 0 CDAERP C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000237536395 287347860 /nfs/dbraw/zinc/34/78/60/287347860.db2.gz CMJWRJWUQLREJM-RBSFLKMASA-N 2 0 281.444 1.742 10 0 CDAERP CC[NH2+]CC[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001666152951 1173114543 /nfs/dbraw/zinc/11/45/43/1173114543.db2.gz WQGZYPDHIGODJF-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000417926671 227192847 /nfs/dbraw/zinc/19/28/47/227192847.db2.gz DVBUHJQZGNAKDS-RUXDESIVSA-N 2 0 282.432 1.158 10 0 CDAERP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000422785329 287619512 /nfs/dbraw/zinc/61/95/12/287619512.db2.gz QVVAWKASOPJZDG-FMKPAKJESA-N 2 0 291.443 1.367 10 0 CDAERP CCC[NH+]1CCC(NC(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000659458900 423787889 /nfs/dbraw/zinc/78/78/89/423787889.db2.gz AQMGNANAAYPSCB-CQSZACIVSA-N 2 0 284.448 1.533 10 0 CDAERP FC1(F)C[C@@H]1OCC[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000662273578 423835168 /nfs/dbraw/zinc/83/51/68/423835168.db2.gz OQHBBBZHNIKISL-XQQFMLRXSA-N 2 0 274.355 1.732 10 0 CDAERP c1ccc2c(c1)OCC[C@@H]2C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663497592 423889845 /nfs/dbraw/zinc/88/98/45/423889845.db2.gz HXBZGVKIOPAIAV-MFOWVQHXSA-N 2 0 258.365 1.894 10 0 CDAERP Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]CC[C@H]2CC[NH2+]C2)cn1 ZINC000662309620 423941004 /nfs/dbraw/zinc/94/10/04/423941004.db2.gz BASQAJYTIFFQMM-VNQPRFMTSA-N 2 0 276.428 1.721 10 0 CDAERP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2C[C@@H](C(N)=O)C2)CC1 ZINC000651939720 423942854 /nfs/dbraw/zinc/94/28/54/423942854.db2.gz OGDJBDWBJCPIJP-WMHQRMGPSA-N 2 0 293.455 1.883 10 0 CDAERP C[NH+](C)CCC[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000662327442 423962268 /nfs/dbraw/zinc/96/22/68/423962268.db2.gz OLQOFUCMDWDZRW-LSDHHAIUSA-N 3 0 269.433 1.029 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000652225152 424087549 /nfs/dbraw/zinc/08/75/49/424087549.db2.gz RQAMAJVFOWRALH-GJZGRUSLSA-N 2 0 298.475 1.876 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000652206230 424030869 /nfs/dbraw/zinc/03/08/69/424030869.db2.gz AKQPMLUBWBBPJR-CYBMUJFWSA-N 2 0 270.421 1.016 10 0 CDAERP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCC1(C[NH3+])CC1 ZINC000652237898 424103401 /nfs/dbraw/zinc/10/34/01/424103401.db2.gz JMYARJMTMMMAKM-CYBMUJFWSA-N 2 0 296.459 1.487 10 0 CDAERP CCC(C)(C)[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000655269495 424202606 /nfs/dbraw/zinc/20/26/06/424202606.db2.gz NKNATZOTPRCAJC-AWEZNQCLSA-N 2 0 281.444 1.661 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000662558065 424171954 /nfs/dbraw/zinc/17/19/54/424171954.db2.gz SMBRHBWZSNNYDB-RWMBFGLXSA-N 2 0 255.406 1.112 10 0 CDAERP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653055185 424179032 /nfs/dbraw/zinc/17/90/32/424179032.db2.gz UTUUTRZAKQRQTG-MGPQQGTHSA-N 2 0 267.417 1.349 10 0 CDAERP CN(C(=O)NCC1([NH3+])CCCC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000659571941 424235033 /nfs/dbraw/zinc/23/50/33/424235033.db2.gz NZSSKICOUMCADI-ZDUSSCGKSA-N 2 0 280.416 1.136 10 0 CDAERP C[C@@H]1CN(C(=O)CC[C@H]2CCCC[N@@H+]2C)C[C@@]1(C)C[NH3+] ZINC000518977137 265270685 /nfs/dbraw/zinc/27/06/85/265270685.db2.gz BJFYQCFJIRRCNF-IIAWOOMASA-N 2 0 281.444 1.694 10 0 CDAERP CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)C1 ZINC000661406530 424326716 /nfs/dbraw/zinc/32/67/16/424326716.db2.gz JOOKMLFWSCFMBH-KGLIPLIRSA-N 2 0 296.459 1.643 10 0 CDAERP C[C@H]1CC[C@H]([NH2+]CCCN2CC[NH+](C)CC2)CS1 ZINC000655693647 424407132 /nfs/dbraw/zinc/40/71/32/424407132.db2.gz GHTMGWZLTSNJEF-KBPBESRZSA-N 2 0 271.474 1.498 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N(C)CCC[NH+]1CCCC1 ZINC000659620707 424417670 /nfs/dbraw/zinc/41/76/70/424417670.db2.gz OSHPNVAIWIHYPE-CQSZACIVSA-N 2 0 284.448 1.487 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000519696426 265535823 /nfs/dbraw/zinc/53/58/23/265535823.db2.gz VAPCXKWPNIOSDA-UHFFFAOYSA-N 2 0 296.459 1.454 10 0 CDAERP C[C@H]1CC[C@H]([NH2+]CCCN2CCC[N@H+](C)CC2)CS1 ZINC000655714364 424485435 /nfs/dbraw/zinc/48/54/35/424485435.db2.gz BQJXVLKQQQWANJ-GJZGRUSLSA-N 2 0 285.501 1.888 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2C[C@@H](C)O[C@H]2C)CC1 ZINC000665289009 424497628 /nfs/dbraw/zinc/49/76/28/424497628.db2.gz CXCNBTLJXBFGME-VNHYZAJKSA-N 2 0 297.443 1.133 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000659295237 424506049 /nfs/dbraw/zinc/50/60/49/424506049.db2.gz VNRSAFAFPQCVNC-GWCFXTLKSA-N 2 0 265.357 1.397 10 0 CDAERP C[N@@H+]1CC[C@H](NCC2([NH3+])CCCC2)[C@@H]2CCC[C@H]21 ZINC000665247256 424472429 /nfs/dbraw/zinc/47/24/29/424472429.db2.gz YPJFTPYOAOUOML-MELADBBJSA-N 2 0 251.418 1.720 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](CO)CCF ZINC000652020443 424592856 /nfs/dbraw/zinc/59/28/56/424592856.db2.gz YDMKEUPEMWPQCW-CYBMUJFWSA-N 2 0 278.331 1.386 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000662926119 424562125 /nfs/dbraw/zinc/56/21/25/424562125.db2.gz WPLFRCNGHUFRMS-CABCVRRESA-N 2 0 275.396 1.363 10 0 CDAERP CCC(C)(C)NC(=O)CN1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397360365 270348937 /nfs/dbraw/zinc/34/89/37/270348937.db2.gz LQFUQYJLHZKIGX-XQQFMLRXSA-N 2 0 269.433 1.596 10 0 CDAERP CC1(CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC[NH2+]CC1 ZINC000248374128 275895863 /nfs/dbraw/zinc/89/58/63/275895863.db2.gz NYABLQRFNSQQQP-MCIONIFRSA-N 2 0 279.428 1.413 10 0 CDAERP CC[N@@H+]1CCC[C@H](N[C@@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000250194502 276178784 /nfs/dbraw/zinc/17/87/84/276178784.db2.gz ARVRHSQVVLRISB-ILXRZTDVSA-N 2 0 251.418 1.687 10 0 CDAERP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)C[C@H]1C ZINC000418605687 276246177 /nfs/dbraw/zinc/24/61/77/276246177.db2.gz YXMIDPVXABQMCY-RFQIPJPRSA-N 2 0 282.432 1.109 10 0 CDAERP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](C)CC[C@H]2C)CC1 ZINC000362480658 276359473 /nfs/dbraw/zinc/35/94/73/276359473.db2.gz ULSXCOLSVFMQCP-UONOGXRCSA-N 2 0 281.444 1.707 10 0 CDAERP CC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000252458055 276360080 /nfs/dbraw/zinc/36/00/80/276360080.db2.gz HTTKOSPJYLPBHF-CFVMTHIKSA-N 2 0 279.428 1.508 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2CCNC(=O)CC2)[C@H](C)C1 ZINC000450555461 276399587 /nfs/dbraw/zinc/39/95/87/276399587.db2.gz AYSSWSQDDXFIEN-KFWWJZLASA-N 2 0 281.444 1.565 10 0 CDAERP C[N@@H+]1CC[C@H](NC(=O)NCCC[NH3+])[C@@H]1c1ccccc1 ZINC000417945227 277166531 /nfs/dbraw/zinc/16/65/31/277166531.db2.gz QLEIQEMFLAPLPC-KBPBESRZSA-N 2 0 276.384 1.080 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCOC2)[C@@H]2CCC[C@H]21 ZINC000353455384 277171667 /nfs/dbraw/zinc/17/16/67/277171667.db2.gz PQKQZHOXHRUNPS-ZQDZILKHSA-N 2 0 252.402 1.875 10 0 CDAERP CC(C)=CC[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000071871585 277324383 /nfs/dbraw/zinc/32/43/83/277324383.db2.gz YIQRDKAZTTVCTP-CQSZACIVSA-N 2 0 254.418 1.977 10 0 CDAERP CC(C)[C@@H]([NH3+])C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000037826158 277748429 /nfs/dbraw/zinc/74/84/29/277748429.db2.gz MILBJKGUFVYSQJ-CQSZACIVSA-N 2 0 267.417 1.304 10 0 CDAERP Cc1nc2ccccc2n1CC[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400434947 279129928 /nfs/dbraw/zinc/12/99/28/279129928.db2.gz MKJAUXHPSSQKQH-TZMCWYRMSA-N 2 0 272.396 1.932 10 0 CDAERP CC[NH+](CC)[C@@H](C)CNC(=O)C[N@H+](CC)C1CC1 ZINC000135953613 279142609 /nfs/dbraw/zinc/14/26/09/279142609.db2.gz WVDHOTXEVHZRLR-LBPRGKRZSA-N 2 0 255.406 1.317 10 0 CDAERP CC(C)C[C@H]([NH3+])C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424368927 279178981 /nfs/dbraw/zinc/17/89/81/279178981.db2.gz ATYYZZATKVYAHQ-KGLIPLIRSA-N 3 0 253.434 1.824 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000167590633 279180128 /nfs/dbraw/zinc/18/01/28/279180128.db2.gz PQTHEGBHZASJFD-QLFBSQMISA-N 2 0 253.434 1.776 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000220926162 279180236 /nfs/dbraw/zinc/18/02/36/279180236.db2.gz PQTHEGBHZASJFD-SOUVJXGZSA-N 2 0 253.434 1.776 10 0 CDAERP C[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)C(C)(C)C[NH+](C)C ZINC000119522197 279365656 /nfs/dbraw/zinc/36/56/56/279365656.db2.gz VOJBOOFWBBZZEO-OLZOCXBDSA-N 2 0 284.448 1.356 10 0 CDAERP C[C@H](Cc1ccoc1)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000449094234 279383788 /nfs/dbraw/zinc/38/37/88/279383788.db2.gz REUSMHDNQMSDQP-OCCSQVGLSA-N 2 0 252.358 1.257 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NC[C@H]2[NH2+]CCc3ccccc32)CC[NH2+]1 ZINC000262422638 279942608 /nfs/dbraw/zinc/94/26/08/279942608.db2.gz RZWKGNYIOSLTBZ-DUVNUKRYSA-N 2 0 287.407 1.378 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N(C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000245661404 280226351 /nfs/dbraw/zinc/22/63/51/280226351.db2.gz DFTJQKWNJNPSOY-ZNMIVQPWSA-N 2 0 298.475 1.841 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000246004180 280246016 /nfs/dbraw/zinc/24/60/16/280246016.db2.gz GMBBNCQGWNVXDH-QWHCGFSZSA-N 2 0 270.421 1.062 10 0 CDAERP CC(C)[C@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000195554305 280273189 /nfs/dbraw/zinc/27/31/89/280273189.db2.gz RNNGHFRRNGDDKR-RDBSUJKOSA-N 2 0 267.417 1.443 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN[C@H]1C[NH2+]CC[C@H]1C ZINC000518339183 281017916 /nfs/dbraw/zinc/01/79/16/281017916.db2.gz QMOTYGBWOBJXAT-WBMJQRKESA-N 2 0 285.395 1.663 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261878391 288301366 /nfs/dbraw/zinc/30/13/66/288301366.db2.gz YRTJQIHIXSEAEQ-XJFOESAGSA-N 2 0 265.401 1.199 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262924704 288322631 /nfs/dbraw/zinc/32/26/31/288322631.db2.gz ZRZWKCNERXNILX-RGDJUOJXSA-N 2 0 265.401 1.021 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000334887715 288324252 /nfs/dbraw/zinc/32/42/52/288324252.db2.gz IBUKNBCABUQHFU-TZMCWYRMSA-N 2 0 296.459 1.547 10 0 CDAERP C[NH+](C)C[C@@](C)(O)C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000376590833 289206293 /nfs/dbraw/zinc/20/62/93/289206293.db2.gz QSUVJVVHSNCPMS-KGLIPLIRSA-N 2 0 270.417 1.238 10 0 CDAERP C[NH+](C)C[C@](C)(O)C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000376590835 289222951 /nfs/dbraw/zinc/22/29/51/289222951.db2.gz QSUVJVVHSNCPMS-ZIAGYGMSSA-N 2 0 270.417 1.238 10 0 CDAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000367520800 289483743 /nfs/dbraw/zinc/48/37/43/289483743.db2.gz ZEKCIBDNJQMCNL-HIFRSBDPSA-N 2 0 291.443 1.403 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH+]2CCCC[C@H]2C)C1 ZINC000553210050 290103161 /nfs/dbraw/zinc/10/31/61/290103161.db2.gz KVHZHCDCHDXQQH-HUUCEWRRSA-N 2 0 281.444 1.709 10 0 CDAERP CN1CCO[C@H](C[N@H+](CC2CC2)C[C@H]2CCC[NH2+]C2)C1 ZINC000262052634 290108346 /nfs/dbraw/zinc/10/83/46/290108346.db2.gz ZSPNAASRYBMCIR-HOTGVXAUSA-N 2 0 281.444 1.029 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C2CCC([NH3+])CC2)[C@H]2CCC[C@H]21 ZINC000423234065 290214495 /nfs/dbraw/zinc/21/44/95/290214495.db2.gz PADYSKZOJCVLDL-IPOFZDNWSA-N 3 0 251.418 1.719 10 0 CDAERP C[C@H]1CCCCN1CC[NH2+]C1CCC(C[NH3+])CC1 ZINC000422866314 290388924 /nfs/dbraw/zinc/38/89/24/290388924.db2.gz QDWIUSLPTNFZSR-NFOMZHRRSA-N 2 0 253.434 1.968 10 0 CDAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C[NH+]1CCCCC1 ZINC000561170958 293057330 /nfs/dbraw/zinc/05/73/30/293057330.db2.gz YJDLCPQKDGTPDN-GJZGRUSLSA-N 2 0 281.444 1.566 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H](CCO)C1CCCCC1 ZINC000422989649 293097760 /nfs/dbraw/zinc/09/77/60/293097760.db2.gz AZKFLVQQTXHBIR-LSDHHAIUSA-N 2 0 272.433 1.661 10 0 CDAERP [NH3+]C[C@@H](NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)C1CCCC1 ZINC000562816259 293204149 /nfs/dbraw/zinc/20/41/49/293204149.db2.gz IWFOCVKBPWSJKA-QLFBSQMISA-N 2 0 294.443 1.145 10 0 CDAERP COC[C@]1(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CCC[NH2+]1 ZINC000423412783 293294464 /nfs/dbraw/zinc/29/44/64/293294464.db2.gz IODJDQPUTJSKNE-KLHDSHLOSA-N 2 0 281.444 1.217 10 0 CDAERP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1cc2c(s1)CCC2 ZINC000564822169 293422388 /nfs/dbraw/zinc/42/23/88/293422388.db2.gz GROYETBCXDDGPF-NSHDSACASA-N 2 0 293.436 1.319 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000565150375 293531905 /nfs/dbraw/zinc/53/19/05/293531905.db2.gz JJBTWZKXTRGIHH-MFOWVQHXSA-N 2 0 279.428 1.495 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CCc3ccccc3[C@H]2CN)CC[NH2+]1 ZINC000574916697 295076670 /nfs/dbraw/zinc/07/66/70/295076670.db2.gz BUQRUJZNDYNOML-CKEIUWERSA-N 2 0 273.424 1.933 10 0 CDAERP C[C@H](CNC(=O)N[C@H]1CC[NH2+]C[C@H]1C)[NH+]1CCC(C)CC1 ZINC000417312882 298739627 /nfs/dbraw/zinc/73/96/27/298739627.db2.gz OMHHUGNPOICCOX-KFWWJZLASA-N 2 0 296.459 1.404 10 0 CDAERP CC(C)C[NH2+]C/C=C\CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001669149521 1173510620 /nfs/dbraw/zinc/51/06/20/1173510620.db2.gz BHQHEYRUWZVITN-WBTMPAOCSA-N 2 0 269.433 1.491 10 0 CDAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000336103571 300003731 /nfs/dbraw/zinc/00/37/31/300003731.db2.gz KDMADWPFVQPNFR-IINYFYTJSA-N 2 0 259.353 1.018 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH2+]1 ZINC000262403844 300396266 /nfs/dbraw/zinc/39/62/66/300396266.db2.gz OMQDTIUQEKXRCO-XDQVBPFNSA-N 2 0 267.417 1.316 10 0 CDAERP C[C@H](C[NH2+]C/C=C/Cl)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001669377303 1173542397 /nfs/dbraw/zinc/54/23/97/1173542397.db2.gz UKGXRTVOXKUGRZ-BAEOLTKYSA-N 2 0 273.808 1.318 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N2CCC3(CC[NH2+]CC3)CC2)cc1 ZINC000335293310 303430989 /nfs/dbraw/zinc/43/09/89/303430989.db2.gz VBTWBSZRESSOFU-UHFFFAOYSA-N 2 0 287.407 1.751 10 0 CDAERP CC(C)CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001669925724 1173632757 /nfs/dbraw/zinc/63/27/57/1173632757.db2.gz UWRPSRHMASKRTE-KBPBESRZSA-N 2 0 269.433 1.421 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000566293235 316544983 /nfs/dbraw/zinc/54/49/83/316544983.db2.gz KCLOMKPIXNHIQH-IIAWOOMASA-N 2 0 279.428 1.461 10 0 CDAERP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)CC[NH2+]1 ZINC000576040654 317062671 /nfs/dbraw/zinc/06/26/71/317062671.db2.gz NFMHWDWYENCINF-QLFBSQMISA-N 3 0 251.418 1.450 10 0 CDAERP [NH3+]Cc1cc(C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])ccn1 ZINC000576041430 317063262 /nfs/dbraw/zinc/06/32/62/317063262.db2.gz DCYKBVAIRWEZNA-INIZCTEOSA-N 2 0 296.374 1.239 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000576373745 317128485 /nfs/dbraw/zinc/12/84/85/317128485.db2.gz RHHZIIFOXXEMCS-IHRRRGAJSA-N 2 0 282.432 1.158 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CC)C1 ZINC001672326741 1173766217 /nfs/dbraw/zinc/76/62/17/1173766217.db2.gz DPZRIHLURYAUJC-KGLIPLIRSA-N 2 0 269.433 1.422 10 0 CDAERP C[C@H]([NH3+])[C@H](C)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000577382205 317319287 /nfs/dbraw/zinc/31/92/87/317319287.db2.gz FANVRUHALRIBJD-CAVOSLQRSA-N 2 0 275.396 1.568 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CCCC[C@@H]1C[NH2+]C/C=C/Cl ZINC001673131424 1173827581 /nfs/dbraw/zinc/82/75/81/1173827581.db2.gz JNCGNYKNOPCUEX-HZRUHFOJSA-N 2 0 299.846 1.805 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCCn2ccnc2)[C@H](C)C1 ZINC000182926041 323308109 /nfs/dbraw/zinc/30/81/09/323308109.db2.gz BXFPQSVWJSYBGX-HUUCEWRRSA-N 2 0 264.417 1.935 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)NCCC[NH+]1CCCCC1 ZINC000185261547 323386734 /nfs/dbraw/zinc/38/67/34/323386734.db2.gz NVMLOPUIMJWUPI-UHFFFAOYSA-N 2 0 284.448 1.456 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)C1 ZINC000583702316 325226587 /nfs/dbraw/zinc/22/65/87/325226587.db2.gz PUBHSWNFBBQCSF-QWHCGFSZSA-N 2 0 276.384 1.458 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])NC(=O)NCC1([NH3+])CCCCCC1 ZINC000584230514 327070346 /nfs/dbraw/zinc/07/03/46/327070346.db2.gz JSEISXXFJVIUKR-NWDGAFQWSA-N 2 0 270.421 1.463 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]CC[C@@H](C)F ZINC001671373639 1159661261 /nfs/dbraw/zinc/66/12/61/1159661261.db2.gz QNGGFTXVICDVNB-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCCCCF)CC1 ZINC001670807109 1160168741 /nfs/dbraw/zinc/16/87/41/1160168741.db2.gz CMAACDKQHFQUOD-CQSZACIVSA-N 2 0 299.434 1.849 10 0 CDAERP CN(C(=O)CC1([NH3+])CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000398205202 482243673 /nfs/dbraw/zinc/24/36/73/482243673.db2.gz XUGONABGKHHOEV-HNNXBMFYSA-N 2 0 287.407 1.601 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]CCC2(CO)CCC2)[C@H](C)C1 ZINC000652038600 482436024 /nfs/dbraw/zinc/43/60/24/482436024.db2.gz YTBCCHOSJBIZPP-KGLIPLIRSA-N 2 0 254.418 1.859 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000652291654 482459027 /nfs/dbraw/zinc/45/90/27/482459027.db2.gz BHNTVMDIQKAGNX-OLZOCXBDSA-N 2 0 290.411 1.285 10 0 CDAERP O=C(NCC1CC[NH+](C2CC2)CC1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653160662 482465613 /nfs/dbraw/zinc/46/56/13/482465613.db2.gz QZAJHYOTDCESON-HOTGVXAUSA-N 2 0 291.439 1.508 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000669513398 482529999 /nfs/dbraw/zinc/52/99/99/482529999.db2.gz KFEVPAJHHJKXQS-AWEZNQCLSA-N 2 0 288.395 1.444 10 0 CDAERP CC[C@H](C[NH+]1CCCC1)NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000669529883 482598668 /nfs/dbraw/zinc/59/86/68/482598668.db2.gz HRUJBXIAYBLDEF-UKRRQHHQSA-N 2 0 294.443 1.397 10 0 CDAERP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC/C=C\C[NH3+])C1 ZINC000669365995 482747088 /nfs/dbraw/zinc/74/70/88/482747088.db2.gz AXPCXGFELPLCDB-LPUOJRKPSA-N 2 0 296.459 1.559 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000669403356 482888375 /nfs/dbraw/zinc/88/83/75/482888375.db2.gz WVHPXRSUXIJKHY-GJZGRUSLSA-N 2 0 294.443 1.254 10 0 CDAERP COc1cc(C[NH2+][C@H]2CCC[NH2+]CC2)cc2c1OCCO2 ZINC000666855432 482952169 /nfs/dbraw/zinc/95/21/69/482952169.db2.gz RGWNQMKMUGJSCD-ZDUSSCGKSA-N 2 0 292.379 1.698 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)N[C@H]1CC[NH+](CCC)C1 ZINC000666920121 482985565 /nfs/dbraw/zinc/98/55/65/482985565.db2.gz NRRSNVKXMGJBNW-AWEZNQCLSA-N 2 0 298.475 1.890 10 0 CDAERP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1COC2(CCC2)C1 ZINC000657976266 483012401 /nfs/dbraw/zinc/01/24/01/483012401.db2.gz NJEDYKDHVOOLDJ-LSDHHAIUSA-N 2 0 281.444 1.314 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N[C@@H]2CCC[NH2+]CC2)CC1 ZINC000669432863 483051741 /nfs/dbraw/zinc/05/17/41/483051741.db2.gz BGXWFJXHNFXZMQ-OAHLLOKOSA-N 2 0 296.459 1.550 10 0 CDAERP C[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089460079 483085375 /nfs/dbraw/zinc/08/53/75/483085375.db2.gz QOHXJFXPLQMTMD-CJNGLKHVSA-N 2 0 289.423 1.739 10 0 CDAERP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC/C=C\C[NH3+] ZINC000669470440 483185962 /nfs/dbraw/zinc/18/59/62/483185962.db2.gz HGLVGBGZBZTWKB-GXMNPTEKSA-N 2 0 282.432 1.455 10 0 CDAERP C[C@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)C1CC[NH+](C)CC1 ZINC000685662424 483205340 /nfs/dbraw/zinc/20/53/40/483205340.db2.gz RAWFHPQQNUUWLH-WCQYABFASA-N 2 0 262.401 1.587 10 0 CDAERP CN(CCC[NH+](C)C)CCNC(=O)NC1CC(C)(C)C1 ZINC000667314175 483208187 /nfs/dbraw/zinc/20/81/87/483208187.db2.gz LWCNOQCDEMXUIZ-UHFFFAOYSA-N 2 0 284.448 1.358 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1C ZINC000682421789 483222513 /nfs/dbraw/zinc/22/25/13/483222513.db2.gz WFNSINIICXQLQK-QLFBSQMISA-N 2 0 281.444 1.517 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCN2C(=O)c3ccccc3C2=O)C1 ZINC000414923243 483294629 /nfs/dbraw/zinc/29/46/29/483294629.db2.gz IBKDTFTVHKCLKQ-VXGBXAGGSA-N 2 0 287.363 1.142 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCN(C)C2)[C@@H](C)C1 ZINC000675767742 483363703 /nfs/dbraw/zinc/36/37/03/483363703.db2.gz UKUCHPRDOPJGJU-ULQDDVLXSA-N 2 0 297.487 1.807 10 0 CDAERP CC(C)(C)[NH+]1CCN(Cc2cc(C[NH3+])co2)CC1 ZINC000052571655 518710802 /nfs/dbraw/zinc/71/08/02/518710802.db2.gz VUAZFONJCHMDKK-UHFFFAOYSA-N 2 0 251.374 1.654 10 0 CDAERP CC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001691764916 1160797290 /nfs/dbraw/zinc/79/72/90/1160797290.db2.gz HTLNFRWFROVEHQ-KGLIPLIRSA-N 2 0 267.417 1.461 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)[C@H]1C[C@H]([NH3+])CC[C@@H]1C ZINC000055134767 519716484 /nfs/dbraw/zinc/71/64/84/519716484.db2.gz ALDQSADAZVQCJC-ZNMIVQPWSA-N 2 0 283.460 1.796 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CC[C@@H](CN2CCC([NH+](C)C)CC2)O1 ZINC000052477796 519723828 /nfs/dbraw/zinc/72/38/28/519723828.db2.gz YRTRFTXHKKPGDL-HOTGVXAUSA-N 2 0 283.460 1.558 10 0 CDAERP CCC[NH2+]C[C@H]1CCN(CC(C)(C)C[NH+](C)C)C1 ZINC000053010833 519936125 /nfs/dbraw/zinc/93/61/25/519936125.db2.gz XRNHXLYYASDZPO-CQSZACIVSA-N 2 0 255.450 1.896 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@H](CN2CCC([NH+](C)C)CC2)O1 ZINC000052477780 519981149 /nfs/dbraw/zinc/98/11/49/519981149.db2.gz DKARFKDRIWEPAP-HUUCEWRRSA-N 2 0 269.433 1.170 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000061273733 520166066 /nfs/dbraw/zinc/16/60/66/520166066.db2.gz FUXXHBWYGUMCTN-KGLIPLIRSA-N 2 0 269.433 1.611 10 0 CDAERP CC[NH2+][C@](C)(C[C@@H](C)N1CC[NH+](C(C)(C)C)CC1)C(N)=O ZINC000068636450 520235574 /nfs/dbraw/zinc/23/55/74/520235574.db2.gz DHXXLZFCLIEGCK-CZUORRHYSA-N 2 0 298.475 1.035 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@H]([NH3+])[C@@H]2C)CC1 ZINC000055140040 521548564 /nfs/dbraw/zinc/54/85/64/521548564.db2.gz VRICISLLEHKBJZ-YUELXQCFSA-N 2 0 281.444 1.598 10 0 CDAERP CC(C)=CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001715736960 1179784507 /nfs/dbraw/zinc/78/45/07/1179784507.db2.gz VVEIXCLQTHIQOT-HUUCEWRRSA-N 2 0 281.444 1.777 10 0 CDAERP C[C@@H](C[NH2+]CCC1=CCCCC1)NC(=O)CC[NH+](C)C ZINC001715993471 1179970432 /nfs/dbraw/zinc/97/04/32/1179970432.db2.gz VUBXCVZPMKVXDO-AWEZNQCLSA-N 2 0 281.444 1.923 10 0 CDAERP C[NH2+]C[C@H]1CC[C@@H](C[N@H+](CCOC)CC(C)C)O1 ZINC000052508687 522094644 /nfs/dbraw/zinc/09/46/44/522094644.db2.gz HOVHKYCEXJNGQP-KGLIPLIRSA-N 2 0 258.406 1.358 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(CC[NH2+][C@@H](C)COC)CC1 ZINC000055075560 522121522 /nfs/dbraw/zinc/12/15/22/522121522.db2.gz ZPLVJWDCHXNHHN-UONOGXRCSA-N 2 0 257.422 1.027 10 0 CDAERP CC(C)[N@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001731421153 1182374347 /nfs/dbraw/zinc/37/43/47/1182374347.db2.gz FCBYADPADLBOQJ-AWEZNQCLSA-N 2 0 269.433 1.517 10 0 CDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000417987692 534027242 /nfs/dbraw/zinc/02/72/42/534027242.db2.gz RLDWKBMAIGIYMN-RDBSUJKOSA-N 2 0 292.427 1.542 10 0 CDAERP C(CC1CC[NH2+]CC1)C[NH+]1CCN(C2CC2)CC1 ZINC000050953339 518383579 /nfs/dbraw/zinc/38/35/79/518383579.db2.gz KNCJDADDASGJKG-UHFFFAOYSA-N 2 0 251.418 1.546 10 0 CDAERP CC(C)[N@H+](C)CCCCNC(=O)[C@H]1C[C@@H]([NH3+])CC[C@@H]1C ZINC000055139113 519616943 /nfs/dbraw/zinc/61/69/43/519616943.db2.gz CSFYQJJTBHUUQC-KKUMJFAQSA-N 2 0 283.460 1.987 10 0 CDAERP CC(C)[NH+](CCNC(=O)[C@@H]1[NH2+]CCC[C@@H]1C)C(C)C ZINC000051790910 519647547 /nfs/dbraw/zinc/64/75/47/519647547.db2.gz FXUCJFJNLDXNQA-UONOGXRCSA-N 2 0 269.433 1.610 10 0 CDAERP CC(C)[NH2+]CC1(CN2CC[NH+](C3CC3)CC2)CCOCC1 ZINC000052198074 519719628 /nfs/dbraw/zinc/71/96/28/519719628.db2.gz GVPYXVPJUQBNEY-UHFFFAOYSA-N 2 0 295.471 1.561 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000055160919 519724185 /nfs/dbraw/zinc/72/41/85/519724185.db2.gz WKPGLFISMMSNPB-JKSUJKDBSA-N 2 0 295.471 1.942 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)[C@H]2[NH2+]CCC[C@@H]2C)CC1 ZINC000055082583 519724870 /nfs/dbraw/zinc/72/48/70/519724870.db2.gz WNHBSFCOTQHNMP-KBPBESRZSA-N 2 0 267.417 1.175 10 0 CDAERP CC(C)C[NH+]1CCN([C@@H]2Cc3ccccc3[C@@H]2[NH3+])CC1 ZINC000055079021 519727790 /nfs/dbraw/zinc/72/77/90/519727790.db2.gz YWKGAKAWNHBBSK-SJORKVTESA-N 2 0 273.424 1.885 10 0 CDAERP CC(C)C[NH+]1CCN([C@H](C[NH3+])c2ccccn2)CC1 ZINC000055077041 519727956 /nfs/dbraw/zinc/72/79/56/519727956.db2.gz LODBELTYIYDPCJ-OAHLLOKOSA-N 2 0 262.401 1.355 10 0 CDAERP CC(C)C[NH+]1CCN([C@H](c2cccnc2)[C@@H](C)[NH3+])CC1 ZINC000055077465 519728153 /nfs/dbraw/zinc/72/81/53/519728153.db2.gz WSIBRQBSLXSQFG-ZBFHGGJFSA-N 2 0 276.428 1.744 10 0 CDAERP CC(C)C[NH+]1CCN([C@@H]2COc3ccccc3[C@H]2[NH3+])CC1 ZINC000055078882 519728172 /nfs/dbraw/zinc/72/81/72/519728172.db2.gz OQCDPCCNBPYAAK-NVXWUHKLSA-N 2 0 289.423 1.721 10 0 CDAERP CC(C)[NH2+][C@@](C)(C[C@H](C)N1CC[N@H+](C)C(C)(C)C1)C(N)=O ZINC000068646875 519736441 /nfs/dbraw/zinc/73/64/41/519736441.db2.gz JGIVFDZCMOQXFK-BBRMVZONSA-N 2 0 298.475 1.033 10 0 CDAERP CC(C)[NH2+][C@](C)(C[C@@H](C)N(C)CC[NH+]1CCCC1)C(N)=O ZINC000068646292 519739810 /nfs/dbraw/zinc/73/98/10/519739810.db2.gz CLSSJSGEOKRODJ-GDBMZVCRSA-N 2 0 298.475 1.035 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@H]([NH3+])c1ccccc1 ZINC000049220398 519793416 /nfs/dbraw/zinc/79/34/16/519793416.db2.gz KTBUIGGGGMLEKF-ZIAGYGMSSA-N 2 0 263.385 1.389 10 0 CDAERP CC(C)[C@H](CN(C)C)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000049197565 519814717 /nfs/dbraw/zinc/81/47/17/519814717.db2.gz WATJRQNLENDMTI-HIFRSBDPSA-N 2 0 255.450 1.893 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000236770986 519842966 /nfs/dbraw/zinc/84/29/66/519842966.db2.gz ZLZAGPTXEJUQFQ-ZIAGYGMSSA-N 2 0 267.417 1.352 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000055090764 519845767 /nfs/dbraw/zinc/84/57/67/519845767.db2.gz BLUTXVGFAIFYOD-ZIAGYGMSSA-N 2 0 267.417 1.495 10 0 CDAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C[C@@H]1CC[N@H+](C)C1 ZINC000054628302 519911325 /nfs/dbraw/zinc/91/13/25/519911325.db2.gz HZYHFSSRXPGDJB-FFHGMXDLSA-N 2 0 251.418 1.543 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000061267004 519935211 /nfs/dbraw/zinc/93/52/11/519935211.db2.gz OOUTXAGZSYHDBV-CYBMUJFWSA-N 2 0 269.433 1.613 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000061230360 519965031 /nfs/dbraw/zinc/96/50/31/519965031.db2.gz MHSORKJCNBWRCU-QWHCGFSZSA-N 2 0 255.406 1.223 10 0 CDAERP CC[NH2+]Cc1occc1CN1CCC[N@H+](C)CC1 ZINC000052424217 520030277 /nfs/dbraw/zinc/03/02/77/520030277.db2.gz JTZHDWUGCGQWRB-UHFFFAOYSA-N 2 0 251.374 1.527 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000061273679 520165557 /nfs/dbraw/zinc/16/55/57/520165557.db2.gz NWUCYQGUYLONSR-NEPJUHHUSA-N 2 0 283.441 1.855 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000061273578 520165974 /nfs/dbraw/zinc/16/59/74/520165974.db2.gz VXBHVXRDNAOCJJ-KGLIPLIRSA-N 2 0 293.411 1.921 10 0 CDAERP CC[NH2+][C@H](C)Cc1nc(CC[NH+](CC)CC)no1 ZINC000061212871 520173903 /nfs/dbraw/zinc/17/39/03/520173903.db2.gz IJCYSEZKORUMHM-LLVKDONJSA-N 2 0 254.378 1.494 10 0 CDAERP CC[NH2+][C@H]1COc2cc(OCC[NH+](C)C)ccc21 ZINC000062804908 520222141 /nfs/dbraw/zinc/22/21/41/520222141.db2.gz IMXIVRPMPDDSNP-ZDUSSCGKSA-N 2 0 250.342 1.670 10 0 CDAERP CC[NH+](CC)CCCNC(=O)CC1CCC([NH3+])CC1 ZINC000055123404 520612374 /nfs/dbraw/zinc/61/23/74/520612374.db2.gz QLAGPCHYTPQBAS-UHFFFAOYSA-N 2 0 269.433 1.742 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC[C@H](O)C[NH+](CC)CC ZINC000045704369 520719471 /nfs/dbraw/zinc/71/94/71/520719471.db2.gz YEFFJBPBADASHA-KGLIPLIRSA-N 2 0 259.438 1.009 10 0 CDAERP CCC[C@H](C)[C@H](C[NH3+])N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062940286 521066000 /nfs/dbraw/zinc/06/60/00/521066000.db2.gz RRSNUGIRMBKAAI-ZNMIVQPWSA-N 2 0 253.434 1.920 10 0 CDAERP CC[N@H+](C[C@H]1CCCO1)CC1(C[NH3+])CCOCC1 ZINC000052182557 521269031 /nfs/dbraw/zinc/26/90/31/521269031.db2.gz OKGYDGWWHLPMDI-CYBMUJFWSA-N 2 0 256.390 1.243 10 0 CDAERP CCC(CC)[N@H+](CCO)Cc1cc[nH+]c(NN)c1 ZINC000052721432 521552358 /nfs/dbraw/zinc/55/23/58/521552358.db2.gz PSSNRYHORHPKRZ-UHFFFAOYSA-N 2 0 252.362 1.350 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000061611459 521556852 /nfs/dbraw/zinc/55/68/52/521556852.db2.gz NWNHOCGZQOIDGQ-INIZCTEOSA-N 2 0 289.423 1.672 10 0 CDAERP CC[NH+]1CCN([C@H](C[NH3+])c2cc(F)c(F)c(F)c2)CC1 ZINC000062709485 521695042 /nfs/dbraw/zinc/69/50/42/521695042.db2.gz KCXBOEGQWLWXBT-CYBMUJFWSA-N 2 0 287.329 1.741 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1CCOc1ccccc1C[NH3+] ZINC000061642518 521867574 /nfs/dbraw/zinc/86/75/74/521867574.db2.gz YOWWDUPEVUQYOF-OAHLLOKOSA-N 2 0 277.412 1.550 10 0 CDAERP C[NH2+]C(C)(C)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000061317720 521933415 /nfs/dbraw/zinc/93/34/15/521933415.db2.gz GHNBHYOXNKFZAN-UHFFFAOYSA-N 2 0 267.417 1.319 10 0 CDAERP C[NH2+]CC[C@@H](C)N1CCC([NH+]2CCCCC2)CC1 ZINC000052484205 522017205 /nfs/dbraw/zinc/01/72/05/522017205.db2.gz TWYSRWIMMKDDMZ-CQSZACIVSA-N 2 0 253.434 1.935 10 0 CDAERP C[NH+](C)[C@@H]1CCN(c2cc(C(N)=[NH2+])c3ccccc3n2)C1 ZINC000068798042 522051777 /nfs/dbraw/zinc/05/17/77/522051777.db2.gz BLJNUSSUPFJSOF-LLVKDONJSA-N 2 0 283.379 1.659 10 0 CDAERP CC[C@@H](C)[N@H+](CC)CCn1cc(C[NH2+]C(C)C)nn1 ZINC000052451256 522086110 /nfs/dbraw/zinc/08/61/10/522086110.db2.gz XBAZFDIWTBPMHH-CYBMUJFWSA-N 2 0 267.421 1.897 10 0 CDAERP C[NH2+]Cc1c(C)nn(CCC[NH+]2CCCC2)c1C ZINC000049333976 522101673 /nfs/dbraw/zinc/10/16/73/522101673.db2.gz QTMMYDJTFKQHEK-UHFFFAOYSA-N 2 0 250.390 1.705 10 0 CDAERP C[NH2+]Cc1cc(COC2CC[NH+](C)CC2)c(C)o1 ZINC000052596904 522110597 /nfs/dbraw/zinc/11/05/97/522110597.db2.gz AMMKZPWZKBZUHS-UHFFFAOYSA-N 2 0 252.358 1.918 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(CC[NH2+]C[C@H]2CCOC2)CC1 ZINC000055075457 522121158 /nfs/dbraw/zinc/12/11/58/522121158.db2.gz DQAGOBXHNLCBHO-HUUCEWRRSA-N 2 0 269.433 1.029 10 0 CDAERP C[NH2+]Cc1ccccc1C[N@H+](CCCOC)CCOC ZINC000052543317 522135077 /nfs/dbraw/zinc/13/50/77/522135077.db2.gz IBPZKOVHFLPLQD-UHFFFAOYSA-N 2 0 280.412 1.891 10 0 CDAERP C[NH2+]Cc1cn(CC[N@@H+]2CCc3sccc3[C@@H]2C)nn1 ZINC000052505451 522141865 /nfs/dbraw/zinc/14/18/65/522141865.db2.gz WLYKWKVXSOXQLB-NSHDSACASA-N 2 0 291.424 1.678 10 0 CDAERP C[NH2+]Cc1cn(CC[N@H+](Cc2cccs2)C(C)C)nn1 ZINC000052544989 522143286 /nfs/dbraw/zinc/14/32/86/522143286.db2.gz RUGOIEBSYILITP-UHFFFAOYSA-N 2 0 293.440 1.970 10 0 CDAERP CC[C@H](C[NH2+]C1CC1)N1CCC(C[NH+](C)C)CC1 ZINC000052515234 522192777 /nfs/dbraw/zinc/19/27/77/522192777.db2.gz LYOHMKZZFCRBAG-OAHLLOKOSA-N 2 0 253.434 1.791 10 0 CDAERP C[NH2+][C@@H](C)c1cnc(N2CCN(CC[NH+](C)C)CC2)s1 ZINC000061655493 522337323 /nfs/dbraw/zinc/33/73/23/522337323.db2.gz FNGIRQHNAXNPIM-LBPRGKRZSA-N 2 0 297.472 1.107 10 0 CDAERP C[NH2+][C@@H]1CCCC[C@H]1CN1CCC([NH+](C)C)CC1 ZINC000053858190 522377890 /nfs/dbraw/zinc/37/78/90/522377890.db2.gz IXGKOPFQFIAXPW-DZGCQCFKSA-N 2 0 253.434 1.791 10 0 CDAERP C[NH2+][C@@H]1CCCCCC[C@H]1N1CCN(CC[NH+](C)C)CC1 ZINC000061643846 522378510 /nfs/dbraw/zinc/37/85/10/522378510.db2.gz GUEAEHOVUSYHEY-IAGOWNOFSA-N 2 0 296.503 1.476 10 0 CDAERP CC[C@@H](CC[NH3+])N1CC[NH+](CCOCCC(C)C)CC1 ZINC000049265228 522497683 /nfs/dbraw/zinc/49/76/83/522497683.db2.gz AMLYCWIBVCJALT-INIZCTEOSA-N 2 0 285.476 1.794 10 0 CDAERP CC[C@@H]([NH2+]C)[C@H](C)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062979555 522805671 /nfs/dbraw/zinc/80/56/71/522805671.db2.gz VKFRETJORBWXSG-SOUVJXGZSA-N 2 0 253.434 1.933 10 0 CDAERP CC[C@@H]1CN([C@@H]2C[NH2+]Cc3ccccc32)CC[N@@H+]1C ZINC000069267581 523466767 /nfs/dbraw/zinc/46/67/67/523466767.db2.gz HINCOXDQOLSZLO-GDBMZVCRSA-N 2 0 259.397 1.857 10 0 CDAERP COCC[NH+](CCOC)C[C@@H]1C[C@H](C(C)C)CC[C@@H]1[NH3+] ZINC000054560425 523717115 /nfs/dbraw/zinc/71/71/15/523717115.db2.gz GVQMSXGMXANAJC-PMPSAXMXSA-N 2 0 286.460 1.981 10 0 CDAERP C[NH+]1CCC(CCNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000157222407 523760498 /nfs/dbraw/zinc/76/04/98/523760498.db2.gz BHDSOUNWISUBNB-JYJNAYRXSA-N 2 0 293.455 1.755 10 0 CDAERP C[NH+](C)C1CCN(Cc2[nH+]c(NN)ccc2Cl)CC1 ZINC000061630952 524040447 /nfs/dbraw/zinc/04/04/47/524040447.db2.gz LAFDJJVPDPQATF-UHFFFAOYSA-N 2 0 283.807 1.547 10 0 CDAERP C[NH+](C)CCCOC[C@@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1 ZINC000052672658 524057997 /nfs/dbraw/zinc/05/79/97/524057997.db2.gz UIVRZQJJXKWYCN-KBPBESRZSA-N 2 0 272.433 1.890 10 0 CDAERP C[C@H]1CC[C@@H](C(=O)N2CC[NH+](C3CCCC3)CC2)C[C@@H]1[NH3+] ZINC000055132585 524330782 /nfs/dbraw/zinc/33/07/82/524330782.db2.gz ODEPPUZQZKREOG-LZWOXQAQSA-N 2 0 293.455 1.837 10 0 CDAERP C[C@@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000055134936 524391031 /nfs/dbraw/zinc/39/10/31/524391031.db2.gz QQBHIJGUUVXWMO-VHDGCEQUSA-N 2 0 281.444 1.550 10 0 CDAERP C[C@H](C[NH2+]C1CCCCC1)N1CC[C@H]([NH+](C)C)C1 ZINC000062974152 524482788 /nfs/dbraw/zinc/48/27/88/524482788.db2.gz NEEYLPXFZUBVKT-HIFRSBDPSA-N 2 0 253.434 1.933 10 0 CDAERP C[C@@H]([NH3+])[C@@H](c1cccs1)N1CCN(CC[NH+](C)C)CC1 ZINC000061642400 525006261 /nfs/dbraw/zinc/00/62/61/525006261.db2.gz RKROKLISHJMVGO-HIFRSBDPSA-N 2 0 296.484 1.316 10 0 CDAERP C[C@@H]([NH3+])[C@@H](c1ccccc1)N1CCN(CC[NH+](C)C)CC1 ZINC000061642350 525006925 /nfs/dbraw/zinc/00/69/25/525006925.db2.gz ZKJAUZBOBOUUFX-WBVHZDCISA-N 2 0 290.455 1.254 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCC[C@@H]1C(=O)NCC[NH+]1CCCCCC1 ZINC000055136234 525088688 /nfs/dbraw/zinc/08/86/88/525088688.db2.gz CBCDYRZFCIIYMC-ILXRZTDVSA-N 2 0 281.444 1.742 10 0 CDAERP C[C@@H]1C[C@H](C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)CC[C@@H]1[NH3+] ZINC000055131520 525358951 /nfs/dbraw/zinc/35/89/51/525358951.db2.gz FTIUWLLBPYIVKI-SYQHCUMBSA-N 2 0 267.417 1.303 10 0 CDAERP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C(F)(F)F ZINC000236566905 526280330 /nfs/dbraw/zinc/28/03/30/526280330.db2.gz LHZJQCYFFAIAFV-LMLFDSFASA-N 2 0 266.307 1.420 10 0 CDAERP O=C(CCC1CC[NH2+]CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000050946916 526409799 /nfs/dbraw/zinc/40/97/99/526409799.db2.gz HNZYMLWGNJQKRG-CQSZACIVSA-N 2 0 265.401 1.073 10 0 CDAERP [NH3+]C[C@H](N1CC[C@@H]([NH+]2CCCC2)C1)C(F)(F)F ZINC000062977375 527226092 /nfs/dbraw/zinc/22/60/92/527226092.db2.gz VIUMTIGNFQWWNI-ZJUUUORDSA-N 2 0 251.296 1.046 10 0 CDAERP [NH3+][C@H]1CCCC[C@H]1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000055088884 527395909 /nfs/dbraw/zinc/39/59/09/527395909.db2.gz GSMHJZSSATXMHK-CVEARBPZSA-N 2 0 293.455 1.981 10 0 CDAERP Cc1nccn1CCN1CCC[N@H+](CCCCC[NH3+])CC1 ZINC000049329613 527427826 /nfs/dbraw/zinc/42/78/26/527427826.db2.gz IWBOGRSXZCEAJO-UHFFFAOYSA-N 2 0 293.459 1.328 10 0 CDAERP O[C@@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)C(F)(F)F ZINC000068877472 527647265 /nfs/dbraw/zinc/64/72/65/527647265.db2.gz WYPVFNXWWZSXKI-LBPRGKRZSA-N 2 0 280.334 1.717 10 0 CDAERP C[NH2+][C@@H]1CCCN(C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000418473293 536358062 /nfs/dbraw/zinc/35/80/62/536358062.db2.gz XMBNQJOJQJFOMV-IUODEOHRSA-N 2 0 290.411 1.600 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000261575677 536374099 /nfs/dbraw/zinc/37/40/99/536374099.db2.gz ZWNOCPLMXZAXKS-MQYQWHSLSA-N 2 0 265.401 1.118 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(F)cc1F ZINC000234730549 536596774 /nfs/dbraw/zinc/59/67/74/536596774.db2.gz RDWWJYSJWQUPSU-GFCCVEGCSA-N 2 0 258.312 1.808 10 0 CDAERP CC(C)[N@H+](C)CC1CC[NH+](CC2(O)CCC2)CC1 ZINC000531562131 545544873 /nfs/dbraw/zinc/54/48/73/545544873.db2.gz LYXRVINJTQZWOG-UHFFFAOYSA-N 2 0 254.418 1.954 10 0 CDAERP C[NH+](C)CCCN1CCC[C@]12C[NH+]1CCC2CC1 ZINC000757127713 575932167 /nfs/dbraw/zinc/93/21/67/575932167.db2.gz HVMGTMONDAGNLT-OAHLLOKOSA-N 2 0 251.418 1.498 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](CC[C@H]2CCOC2=O)CC1 ZINC000753845358 576862024 /nfs/dbraw/zinc/86/20/24/576862024.db2.gz PJLDDRRKXXFJJZ-HNNXBMFYSA-N 2 0 282.428 1.993 10 0 CDAERP CCCCCC[C@@H](C)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000840732836 620674856 /nfs/dbraw/zinc/67/48/56/620674856.db2.gz ITRNQDHICSSTJL-CVEARBPZSA-N 2 0 285.476 1.543 10 0 CDAERP COCCC[N@H+](C)CCN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925514794 617421552 /nfs/dbraw/zinc/42/15/52/617421552.db2.gz FVZNMUWFOJXNGO-QLFBSQMISA-N 2 0 283.460 1.321 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCc2nnc3ccccn32)C1 ZINC000925511514 617415307 /nfs/dbraw/zinc/41/53/07/617415307.db2.gz ODUFXSDMTOQAMI-QWHCGFSZSA-N 2 0 287.411 1.767 10 0 CDAERP [NH3+][C@H]1C[C@@H]([NH2+]CCc2nnc3n2CCCCC3)C12CCC2 ZINC000925533677 617467538 /nfs/dbraw/zinc/46/75/38/617467538.db2.gz OCFVKHHVJYJHMO-QWHCGFSZSA-N 2 0 289.427 1.407 10 0 CDAERP COC(=O)N1CCC[C@H]([NH2+][C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925565606 617514403 /nfs/dbraw/zinc/51/44/03/617514403.db2.gz VCUHZWWRDNZNSR-SRVKXCTJSA-N 2 0 267.373 1.077 10 0 CDAERP C[C@H](Cn1cccn1)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925582462 617530323 /nfs/dbraw/zinc/53/03/23/617530323.db2.gz FLNONUXYHVUGIV-UPJWGTAASA-N 2 0 250.390 1.767 10 0 CDAERP CN(C)[C@H](CC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)C(F)(F)F ZINC000925837087 617866902 /nfs/dbraw/zinc/86/69/02/617866902.db2.gz NNPZSKSUYGFQKI-HBNTYKKESA-N 2 0 279.350 1.729 10 0 CDAERP Cn1cc(C[NH2+]CC2CC[NH+](C)CC2)c(Cl)n1 ZINC000856769748 617674055 /nfs/dbraw/zinc/67/40/55/617674055.db2.gz ZSWWMHYXBDTXME-UHFFFAOYSA-N 2 0 256.781 1.505 10 0 CDAERP C(C[C@H]1CC[NH2+]C1)[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000925694671 617713565 /nfs/dbraw/zinc/71/35/65/617713565.db2.gz RVYUKNSAYPCFGL-KBUPBQIOSA-N 2 0 252.402 1.781 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000925796933 617724997 /nfs/dbraw/zinc/72/49/97/617724997.db2.gz MIVVXDOHFKCSNM-AAVRWANBSA-N 2 0 288.457 1.177 10 0 CDAERP CC1(C)[C@H]([NH2+]C[C@H]2CCCC[C@@H]2O)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925696463 617729432 /nfs/dbraw/zinc/72/94/32/617729432.db2.gz XCTMRCBSZXSKBI-NIFZNCRKSA-N 2 0 266.429 1.904 10 0 CDAERP C[C@@H]([NH2+]Cc1c[nH]c(=O)c2ccccc12)C1C[NH2+]C1 ZINC000925812270 617756683 /nfs/dbraw/zinc/75/66/83/617756683.db2.gz KYOYNIIKZRRHRW-SNVBAGLBSA-N 2 0 257.337 1.638 10 0 CDAERP CO[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)[C@@H]1CCOC1 ZINC000925714135 617823222 /nfs/dbraw/zinc/82/32/22/617823222.db2.gz OKSMLQCQMGTXRH-YYIAUSFCSA-N 2 0 296.455 1.796 10 0 CDAERP CC(C)[C@@H](C)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925856489 617895561 /nfs/dbraw/zinc/89/55/61/617895561.db2.gz QZWKLSZJYRRMMS-VXGBXAGGSA-N 2 0 254.374 1.306 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000925875458 617946156 /nfs/dbraw/zinc/94/61/56/617946156.db2.gz HOKHYUKWENAOJX-DMOGRIERSA-N 2 0 280.334 1.939 10 0 CDAERP C[C@@H](C1CC1)[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000782182253 618055720 /nfs/dbraw/zinc/05/57/20/618055720.db2.gz AVHSKOZATAFXJG-ZDUSSCGKSA-N 2 0 265.401 1.025 10 0 CDAERP CC(C)CC[C@H](O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000923427118 618332958 /nfs/dbraw/zinc/33/29/58/618332958.db2.gz RNJPOBQFVRXMLL-GRYCIOLGSA-N 2 0 282.350 1.853 10 0 CDAERP C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2)C[C@H]1CC[NH3+] ZINC000923427560 618335341 /nfs/dbraw/zinc/33/53/41/618335341.db2.gz BTUAAEJYRQAZPZ-RBSFLKMASA-N 2 0 278.396 1.343 10 0 CDAERP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000925040675 618825885 /nfs/dbraw/zinc/82/58/85/618825885.db2.gz KGPMUQOKHNJMMS-DLTWYDFYSA-N 2 0 295.471 1.416 10 0 CDAERP COC(=O)[C@@H]1[C@H](C[NH2+]CC2(N(C)C)CCC2)C1(F)F ZINC000894532689 618945170 /nfs/dbraw/zinc/94/51/70/618945170.db2.gz DNXFHTMSLBLGAO-UWVGGRQHSA-N 2 0 276.327 1.115 10 0 CDAERP Cc1ccnc(N)c1C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000894786382 619060037 /nfs/dbraw/zinc/06/00/37/619060037.db2.gz HEYNYCFUXAYXOI-UHFFFAOYSA-N 2 0 293.459 1.288 10 0 CDAERP COC(=O)[C@@H]1[C@H](C[NH2+]C(C)(C)CCC[NH+](C)C)C1(F)F ZINC000894904147 619136306 /nfs/dbraw/zinc/13/63/06/619136306.db2.gz FCRVFVXJGKDMPF-QWRGUYRKSA-N 2 0 292.370 1.751 10 0 CDAERP COC(=O)[C@H]1[C@@H](C[NH2+]C(C)(C)CCC[NH+](C)C)C1(F)F ZINC000894904144 619136363 /nfs/dbraw/zinc/13/63/63/619136363.db2.gz FCRVFVXJGKDMPF-GHMZBOCLSA-N 2 0 292.370 1.751 10 0 CDAERP CC[C@@H](C[C@@](C)(O)CC)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000925111337 619321608 /nfs/dbraw/zinc/32/16/08/619321608.db2.gz CCPPBIYMBBCYBN-KBPBESRZSA-N 2 0 272.433 1.362 10 0 CDAERP C[C@H]1C[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000896624667 620165025 /nfs/dbraw/zinc/16/50/25/620165025.db2.gz WQFMDBBRCPXHRH-YNEHKIRRSA-N 2 0 253.390 1.022 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000925312102 620982697 /nfs/dbraw/zinc/98/26/97/620982697.db2.gz GJASVXGNIBRCPM-ZIAGYGMSSA-N 2 0 282.432 1.062 10 0 CDAERP CCO[C@H](CN[C@@H]1CC[N@H+](C)[C@H](C)C1)C[NH+](C)C ZINC000926959408 621631605 /nfs/dbraw/zinc/63/16/05/621631605.db2.gz BSDIZDFQLLIBJV-MGPQQGTHSA-N 2 0 257.422 1.025 10 0 CDAERP C[C@H]([NH2+]CC[C@@H]1CNC(=O)C1)c1cccc(C[NH+](C)C)c1 ZINC000926979924 621640570 /nfs/dbraw/zinc/64/05/70/621640570.db2.gz MWWNWAUIYDJQHS-KBPBESRZSA-N 2 0 289.423 1.925 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@H](C)C1CC1 ZINC000899271744 622136484 /nfs/dbraw/zinc/13/64/84/622136484.db2.gz MLNFOJSNSGMIFI-YPMHNXCESA-N 2 0 252.406 1.773 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC000900209086 622805162 /nfs/dbraw/zinc/80/51/62/622805162.db2.gz OOZVMJBDJALZMH-BZUAXINKSA-N 2 0 293.455 1.994 10 0 CDAERP C[NH+](C)Cc1ccc(NC(=O)C23CC[NH+](CC2)C3)cc1F ZINC000900953169 623674866 /nfs/dbraw/zinc/67/48/66/623674866.db2.gz VZEVGULZRMGILM-UHFFFAOYSA-N 2 0 291.370 1.922 10 0 CDAERP CCCn1cc([C@@H](C)[NH2+][C@@H]2CCn3ccnc3C2)nn1 ZINC000902964141 625707957 /nfs/dbraw/zinc/70/79/57/625707957.db2.gz SZDBDDOPIWPQHL-VXGBXAGGSA-N 2 0 274.372 1.550 10 0 CDAERP C[C@H]1[C@@H](NC2CC[NH+](CC3CC3)CC2)CC[N@@H+]1C ZINC000903302218 625961184 /nfs/dbraw/zinc/96/11/84/625961184.db2.gz ZZTRGCRAYCRDRF-WFASDCNBSA-N 2 0 251.418 1.543 10 0 CDAERP OC1(C2(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)CCOCC1 ZINC000903349965 625975958 /nfs/dbraw/zinc/97/59/58/625975958.db2.gz NAKJDPRBAZPUSP-CABCVRRESA-N 2 0 294.439 1.525 10 0 CDAERP CCCCNC(=O)[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903434532 625991230 /nfs/dbraw/zinc/99/12/30/625991230.db2.gz HLHQWZCAYCJMSJ-KFWWJZLASA-N 2 0 281.444 1.742 10 0 CDAERP CC[C@@H]1C[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)[C@H](CC)CN1C(C)=O ZINC000903440138 625992428 /nfs/dbraw/zinc/99/24/28/625992428.db2.gz UMDLIFYUNBNWML-SLBVQIDZSA-N 2 0 281.444 1.563 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN(Cc3cccs3)CC2)C1 ZINC000903441496 625993042 /nfs/dbraw/zinc/99/30/42/625993042.db2.gz VGYDQUQVLZVMJB-UONOGXRCSA-N 2 0 279.453 1.993 10 0 CDAERP C[C@H]1CC2(C[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1)CC[NH2+]CC2 ZINC000903459591 625994991 /nfs/dbraw/zinc/99/49/91/625994991.db2.gz LTDKLPPAHRZAMV-MJBXVCDLSA-N 3 0 251.418 1.578 10 0 CDAERP Cc1nc(CN2CC[NH+](C[C@@H]3CC[C@H]([NH3+])C3)CC2)cs1 ZINC000903442651 625997261 /nfs/dbraw/zinc/99/72/61/625997261.db2.gz WEOZPBFHYQSCJC-KGLIPLIRSA-N 2 0 294.468 1.697 10 0 CDAERP Cc1nnc([C@@H]2CCC[N@H+](C[C@@H]3CC[C@H]([NH3+])C3)C2)[nH]1 ZINC000903444931 625998396 /nfs/dbraw/zinc/99/83/96/625998396.db2.gz FJTIHFAXMCJPQB-UPJWGTAASA-N 2 0 263.389 1.420 10 0 CDAERP N[C@@H]1C[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)C[C@H]1c1ccccc1 ZINC000903451772 626000834 /nfs/dbraw/zinc/00/08/34/626000834.db2.gz DATSINZOIOFLRX-DRPJVOAASA-N 2 0 259.397 1.541 10 0 CDAERP CCOC(=O)[C@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903455550 626002367 /nfs/dbraw/zinc/00/23/67/626002367.db2.gz ZTBMDAFZDNPNBT-AGIUHOORSA-N 2 0 254.374 1.389 10 0 CDAERP COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903456747 626002376 /nfs/dbraw/zinc/00/23/76/626002376.db2.gz KOLJPQMFGNSMAJ-DGTMBMJNSA-N 2 0 266.385 1.115 10 0 CDAERP CNC(=O)C[N@@H+](Cc1ccccc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903475902 626004862 /nfs/dbraw/zinc/00/48/62/626004862.db2.gz GXLBPWMZRLBUJF-CABCVRRESA-N 2 0 275.396 1.362 10 0 CDAERP CS(=O)(=O)CCCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903482199 626006140 /nfs/dbraw/zinc/00/61/40/626006140.db2.gz ZEFZAVNBIULSAI-LBPRGKRZSA-N 2 0 274.430 1.076 10 0 CDAERP C[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCN1c1cc[nH+]cc1 ZINC000903482954 626006870 /nfs/dbraw/zinc/00/68/70/626006870.db2.gz ZZKFQZQUPFBVAX-KFWWJZLASA-N 3 0 274.412 1.720 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ccc(C)cc1)C2 ZINC000903490950 626010605 /nfs/dbraw/zinc/01/06/05/626010605.db2.gz OIOJWECBLNFYJG-UXLLHSPISA-N 2 0 288.391 1.707 10 0 CDAERP C[C@H](C(=O)N1CCC(C)CC1)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496280 626012182 /nfs/dbraw/zinc/01/21/82/626012182.db2.gz HVMPSLLSIYAAJD-RBSFLKMASA-N 2 0 281.444 1.550 10 0 CDAERP Cn1nccc1[C@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000903566625 626021776 /nfs/dbraw/zinc/02/17/76/626021776.db2.gz WRXYWVAXBIQHBH-DZGCQCFKSA-N 2 0 262.401 1.947 10 0 CDAERP CC(C)(C)C[N@H+](CCO)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903890916 626124709 /nfs/dbraw/zinc/12/47/09/626124709.db2.gz HYXVKKDUDVJDIY-ZDUSSCGKSA-N 2 0 295.431 1.043 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCS[C@H](C)C2)cnn1C ZINC000903890898 626124882 /nfs/dbraw/zinc/12/48/82/626124882.db2.gz HQRUBOWOMUAVFZ-YPMHNXCESA-N 2 0 282.457 1.283 10 0 CDAERP CCC[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)C1CC1 ZINC000903879734 626130726 /nfs/dbraw/zinc/13/07/26/626130726.db2.gz IEPZGVSEDRCSMT-ZDUSSCGKSA-N 2 0 263.389 1.577 10 0 CDAERP c1nnn([C@@H]2CCC[NH2+]C2)c1C[NH+](CC1CC1)CC1CC1 ZINC000903894964 626135986 /nfs/dbraw/zinc/13/59/86/626135986.db2.gz IVWRJEZLHLFYFD-OAHLLOKOSA-N 2 0 289.427 1.825 10 0 CDAERP C[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)[C@H](CO)C(C)(C)C ZINC000903897276 626136715 /nfs/dbraw/zinc/13/67/15/626136715.db2.gz GRMFQYXBEYQAOM-GXTWGEPZSA-N 2 0 295.431 1.041 10 0 CDAERP CC[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)CC1CCC1 ZINC000903908916 626142885 /nfs/dbraw/zinc/14/28/85/626142885.db2.gz PVKFXRJQDNVPBA-CQSZACIVSA-N 2 0 277.416 1.825 10 0 CDAERP C[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H](C)N1CCOCC1 ZINC000903922858 626147604 /nfs/dbraw/zinc/14/76/04/626147604.db2.gz GGHVWZLBTWFWSH-MGLUKCQKSA-N 2 0 281.444 1.216 10 0 CDAERP CC(C)OCC(C)(C)[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903929170 626149533 /nfs/dbraw/zinc/14/95/33/626149533.db2.gz BHNMYDCAWAYIKQ-CYBMUJFWSA-N 2 0 295.431 1.496 10 0 CDAERP O=C1CCC2=C(CC[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)N1 ZINC000903932620 626152567 /nfs/dbraw/zinc/15/25/67/626152567.db2.gz UAEHDGQPNYFRBJ-QXMXGUDHSA-N 2 0 275.396 1.387 10 0 CDAERP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]C[C@@H]1CCSC1 ZINC000903956717 626167439 /nfs/dbraw/zinc/16/74/39/626167439.db2.gz NFAFYUJYNRDFAR-VHSXEESVSA-N 2 0 250.358 1.574 10 0 CDAERP COCC(C)(C)C[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903955854 626167013 /nfs/dbraw/zinc/16/70/13/626167013.db2.gz BFFWSHVAROCXMC-JTQLQIEISA-N 2 0 250.333 1.493 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cn2cccc(F)c2n1 ZINC000903973363 626168744 /nfs/dbraw/zinc/16/87/44/626168744.db2.gz APCFURHTNPAPEK-VXGBXAGGSA-N 2 0 276.359 1.809 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1scnc1C)C2 ZINC000903979139 626170198 /nfs/dbraw/zinc/17/01/98/626170198.db2.gz WMFFFVOMBOLXOR-WDMOLILDSA-N 2 0 295.408 1.164 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)C[C@H]1C ZINC000903963541 626171079 /nfs/dbraw/zinc/17/10/79/626171079.db2.gz ARDXOYJFRLLIIR-DHGKCCLASA-N 2 0 268.401 1.552 10 0 CDAERP Cc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)ccc1-n1cncn1 ZINC000903965179 626171879 /nfs/dbraw/zinc/17/18/79/626171879.db2.gz ZDBLINWTHUCSDO-HIFRSBDPSA-N 2 0 285.395 1.521 10 0 CDAERP CON1CC[C@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)C1=O ZINC000905004325 626372563 /nfs/dbraw/zinc/37/25/63/626372563.db2.gz HDUZORMGTLLXCY-RYUDHWBXSA-N 2 0 271.405 1.105 10 0 CDAERP C[C@@H](CNC(=[NH2+])NC[C@H]1CCCS1)C[NH+](C)C ZINC000905049842 626386407 /nfs/dbraw/zinc/38/64/07/626386407.db2.gz RQXSXCAOWUGLTB-WDEREUQCSA-N 2 0 258.435 1.194 10 0 CDAERP NC1(c2noc([C@@H]3CCC[N@H+](Cc4cccnc4)C3)n2)CC1 ZINC000905318171 626746313 /nfs/dbraw/zinc/74/63/13/626746313.db2.gz DNDXKNWIJFEIDS-CYBMUJFWSA-N 2 0 299.378 1.792 10 0 CDAERP C(=C\[C@H]1CCC[NH2+]C1)\c1nc(CC2CC[NH2+]CC2)no1 ZINC000905307995 626757722 /nfs/dbraw/zinc/75/77/22/626757722.db2.gz DBRPRGYTNFJHRA-DHCBQETCSA-N 2 0 276.384 1.625 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@@H]2C[NH+](C)C)C1 ZINC000906522606 627303911 /nfs/dbraw/zinc/30/39/11/627303911.db2.gz CGCFSTUXNAOIFE-HUUCEWRRSA-N 2 0 281.444 1.661 10 0 CDAERP CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC000907447591 627677457 /nfs/dbraw/zinc/67/74/57/627677457.db2.gz IPDKBMITZPVAJQ-CABCVRRESA-N 2 0 279.428 1.556 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC000908304318 628134186 /nfs/dbraw/zinc/13/41/86/628134186.db2.gz ARUVMQXSUFDOGV-ZDUSSCGKSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@]1(NC(=O)CCCC[NH+]2CCCC2)C[NH+]2CCC1CC2 ZINC000912378755 629951734 /nfs/dbraw/zinc/95/17/34/629951734.db2.gz KALVEPNOLDAKTN-KRWDZBQOSA-N 2 0 293.455 1.853 10 0 CDAERP CC[C@@H](C(=O)N[C@@H]1C[C@H]([NH+](C)C)C12CCC2)[NH+](C)C ZINC000912600119 630085063 /nfs/dbraw/zinc/08/50/63/630085063.db2.gz CAKOALGWCZUACS-XQQFMLRXSA-N 2 0 267.417 1.316 10 0 CDAERP C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)[C@@H]1CCC[N@@H+]1C ZINC000912649165 630126402 /nfs/dbraw/zinc/12/64/02/630126402.db2.gz PRUDPIBLKIVYSF-KFWWJZLASA-N 2 0 281.444 1.802 10 0 CDAERP C[NH+](C)C1(C(=O)N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)CCC1 ZINC000913278493 630421990 /nfs/dbraw/zinc/42/19/90/630421990.db2.gz HFNZWAJUSVOHQR-GJZGRUSLSA-N 2 0 279.428 1.271 10 0 CDAERP CC[C@H](C(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1)[NH+](CC)CC ZINC000913287932 630436018 /nfs/dbraw/zinc/43/60/18/630436018.db2.gz KRVOAVOGDKMFBW-PVAVHDDUSA-N 2 0 295.471 1.907 10 0 CDAERP C[NH+](C)C1(C)CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000913394440 630470121 /nfs/dbraw/zinc/47/01/21/630470121.db2.gz WQYQHXIAYFMCTM-UHFFFAOYSA-N 2 0 281.444 1.661 10 0 CDAERP COC/C(C)=C/C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000930059251 632502021 /nfs/dbraw/zinc/50/20/21/632502021.db2.gz BRUGEIXHVHFILD-MYSFTUOFSA-N 2 0 282.428 1.763 10 0 CDAERP CCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC000920506261 632798087 /nfs/dbraw/zinc/79/80/87/632798087.db2.gz GKCQAVRUIVIXDU-GXTWGEPZSA-N 2 0 282.432 1.253 10 0 CDAERP CCCC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001670470466 1158614323 /nfs/dbraw/zinc/61/43/23/1158614323.db2.gz UNEBJWVHWYMMIP-YUELXQCFSA-N 2 0 281.444 1.611 10 0 CDAERP CCCC[N@@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001266760826 1158806607 /nfs/dbraw/zinc/80/66/07/1158806607.db2.gz NGWWNFVZMQIBDN-CQSZACIVSA-N 2 0 269.433 1.566 10 0 CDAERP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@H](C)[NH2+]CCCF ZINC001725087719 1159027154 /nfs/dbraw/zinc/02/71/54/1159027154.db2.gz HXCHBMDKJYEAQM-NWDGAFQWSA-N 2 0 273.396 1.313 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCOCC)C1 ZINC001267743187 1159585607 /nfs/dbraw/zinc/58/56/07/1159585607.db2.gz MZLQMRUYSLWULQ-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@H](C(=O)N(C)CCC[NH2+]Cc1ccccc1)[NH+](C)C ZINC001268800437 1160017487 /nfs/dbraw/zinc/01/74/87/1160017487.db2.gz NVLXAJHGDCSZQO-MRXNPFEDSA-N 2 0 291.439 1.965 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC(C[NH+](C)C)CC2)CC[N@@H+]1C ZINC000336016548 1161589873 /nfs/dbraw/zinc/58/98/73/1161589873.db2.gz POFMNMZCEVLNHM-ZFWWWQNUSA-N 2 0 281.444 1.517 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC000468086761 1164338399 /nfs/dbraw/zinc/33/83/99/1164338399.db2.gz OLEDRBAQKKPDLP-JYJNAYRXSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000468090379 1164338448 /nfs/dbraw/zinc/33/84/48/1164338448.db2.gz UDEKQQOXLZJLRQ-KKUMJFAQSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001627988252 1166030384 /nfs/dbraw/zinc/03/03/84/1166030384.db2.gz WHCYLEIGTHANPG-MELADBBJSA-N 2 0 269.433 1.563 10 0 CDAERP CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)CC[NH+](C)C)C1 ZINC001542407930 1167934803 /nfs/dbraw/zinc/93/48/03/1167934803.db2.gz WOPKJCBUXCRCQG-KBPBESRZSA-N 2 0 269.433 1.422 10 0 CDAERP CC[N@H+](C)CCCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001566463364 1168286913 /nfs/dbraw/zinc/28/69/13/1168286913.db2.gz UGRQNLPVJAGVGN-ZDUSSCGKSA-N 2 0 255.406 1.319 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCC2CC2)C1 ZINC001566779240 1168417114 /nfs/dbraw/zinc/41/71/14/1168417114.db2.gz QKKWWFVTNVSEJP-AWEZNQCLSA-N 2 0 267.417 1.317 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N1CC[C@H](C[NH2+]CC[C@@H](C)F)C1 ZINC001567155894 1168599798 /nfs/dbraw/zinc/59/97/98/1168599798.db2.gz ZTBPMYSLJULGOZ-ZIAGYGMSSA-N 2 0 287.423 1.513 10 0 CDAERP CC(C)[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001567154788 1168600577 /nfs/dbraw/zinc/60/05/77/1168600577.db2.gz JGCBFUKVKSPFJG-CYBMUJFWSA-N 2 0 255.406 1.173 10 0 CDAERP CC[C@@H](C)C[NH+]1CC(CNC(=O)CC[N@H+](C)CC)C1 ZINC001567844011 1169012464 /nfs/dbraw/zinc/01/24/64/1169012464.db2.gz AVJQDTSVUBRFMX-CYBMUJFWSA-N 2 0 269.433 1.422 10 0 CDAERP CC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)C(C)C ZINC001568470190 1169303349 /nfs/dbraw/zinc/30/33/49/1169303349.db2.gz JIRYUXQGCXDRNZ-ZIAGYGMSSA-N 2 0 269.433 1.611 10 0 CDAERP CCC[NH2+]C/C=C\CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001568919443 1169547423 /nfs/dbraw/zinc/54/74/23/1169547423.db2.gz AXKFSPIJCZCGLO-DSYXLKISSA-N 2 0 253.390 1.000 10 0 CDAERP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]CC[C@@H]1CCCO1)[NH+](C)C ZINC001569078812 1169632931 /nfs/dbraw/zinc/63/29/31/1169632931.db2.gz CJUMXHHYSODIGS-SOUVJXGZSA-N 2 0 299.459 1.236 10 0 CDAERP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]CCC2CC2)C2CC2)CC[N@@H+]1C ZINC001569303634 1169755446 /nfs/dbraw/zinc/75/54/46/1169755446.db2.gz UHKOKMLTWXBPCW-WQVCFCJDSA-N 2 0 293.455 1.611 10 0 CDAERP CC(C)[C@H](C(=O)NC1CC(C[NH2+]CCCF)C1)[NH+](C)C ZINC001570572100 1170193048 /nfs/dbraw/zinc/19/30/48/1170193048.db2.gz STRAGGQJVGIDRI-JXQTWKCFSA-N 2 0 287.423 1.417 10 0 CDAERP CC(C)OCC[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001571563740 1170478542 /nfs/dbraw/zinc/47/85/42/1170478542.db2.gz PQBIJKASEAHXDD-AWEZNQCLSA-N 2 0 299.459 1.190 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001661435122 1172390038 /nfs/dbraw/zinc/39/00/38/1172390038.db2.gz HLUKOQBXLBLVPK-HDJSIYSDSA-N 2 0 281.444 1.898 10 0 CDAERP CC(C)=CC[NH+]1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001665324230 1172979815 /nfs/dbraw/zinc/97/98/15/1172979815.db2.gz KGKNENJNFJKKAM-UHFFFAOYSA-N 2 0 267.417 1.342 10 0 CDAERP CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001667217872 1173246421 /nfs/dbraw/zinc/24/64/21/1173246421.db2.gz VQSNSAFBKNDDPP-STQMWFEESA-N 2 0 255.406 1.173 10 0 CDAERP CC[C@@H](F)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001668982474 1173487394 /nfs/dbraw/zinc/48/73/94/1173487394.db2.gz GVYOIZVMNCHUDB-QJTIAFMVSA-N 2 0 285.407 1.481 10 0 CDAERP CCCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001669207366 1173516576 /nfs/dbraw/zinc/51/65/76/1173516576.db2.gz MFVJTNNFXCULFT-LZNQSLFOSA-N 2 0 281.444 1.923 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C)C[N@H+](C)CC=C(C)C)[NH+](C)C ZINC001669882085 1173624227 /nfs/dbraw/zinc/62/42/27/1173624227.db2.gz AICROUPKVQTHNT-KGLIPLIRSA-N 2 0 269.433 1.729 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCOC2CCC2)C1)[NH+](C)C ZINC001690363635 1175450464 /nfs/dbraw/zinc/45/04/64/1175450464.db2.gz WWCSAAYAHFMBEE-VNHYZAJKSA-N 2 0 297.443 1.133 10 0 CDAERP CC/C=C/CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001698553651 1175836717 /nfs/dbraw/zinc/83/67/17/1175836717.db2.gz RJGVCGZXPIQIHN-LQYUOIDQSA-N 2 0 281.444 1.875 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CCC[C@H](CC[NH2+]CCF)C2)CC[N@@H+]1C ZINC001698670769 1175892514 /nfs/dbraw/zinc/89/25/14/1175892514.db2.gz IPBPZEKSANDFLO-RBSFLKMASA-N 2 0 299.434 1.514 10 0 CDAERP C[NH+](C)CCCC(=O)N1CCC[C@H](CC[NH2+]CCF)C1 ZINC001698678774 1175894450 /nfs/dbraw/zinc/89/44/50/1175894450.db2.gz DQEXWDPSTPBYOM-CQSZACIVSA-N 2 0 287.423 1.516 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CCC(CC[NH2+]CCF)CC2)C1 ZINC001698702178 1175897395 /nfs/dbraw/zinc/89/73/95/1175897395.db2.gz HNRPXYQCPVZKKJ-AWEZNQCLSA-N 2 0 285.407 1.126 10 0 CDAERP CC/C=C\CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001698858826 1175966260 /nfs/dbraw/zinc/96/62/60/1175966260.db2.gz FMVIYRUDCAFGNE-NHQLZKDQSA-N 2 0 281.444 1.731 10 0 CDAERP CC(C)[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CC1CCC1 ZINC001698972060 1176001344 /nfs/dbraw/zinc/00/13/44/1176001344.db2.gz MHPXGZYHJIMQLQ-CQSZACIVSA-N 2 0 269.433 1.469 10 0 CDAERP CCCC[NH2+]C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001699388691 1176349626 /nfs/dbraw/zinc/34/96/26/1176349626.db2.gz VUFFJBLLFOVNAG-CQSZACIVSA-N 2 0 269.433 1.757 10 0 CDAERP CN(CCC[NH2+]Cc1ccc(F)cn1)C(=O)CC[NH+](C)C ZINC001699532631 1176466576 /nfs/dbraw/zinc/46/65/76/1176466576.db2.gz YFHMZCHBHDTQEE-UHFFFAOYSA-N 2 0 296.390 1.111 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]2C[NH2+]C/C=C\Cl)C1 ZINC001699765298 1176613695 /nfs/dbraw/zinc/61/36/95/1176613695.db2.gz GGWCZJAQGQUSRV-MEJFOKSDSA-N 2 0 285.819 1.271 10 0 CDAERP CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001699953670 1176695049 /nfs/dbraw/zinc/69/50/49/1176695049.db2.gz WCJGSMLWPHHCDP-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CCCC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001699966232 1176700492 /nfs/dbraw/zinc/70/04/92/1176700492.db2.gz AWWBCGXYGGCBOJ-KGLIPLIRSA-N 2 0 269.433 1.422 10 0 CDAERP CCCCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001700086765 1176743486 /nfs/dbraw/zinc/74/34/86/1176743486.db2.gz DKHCPZDTUHLRJB-CVEARBPZSA-N 2 0 295.471 1.957 10 0 CDAERP CC/C=C/CC[NH2+]C1(CNC(=O)Cc2ncc[nH]2)CCC1 ZINC001700142153 1176768401 /nfs/dbraw/zinc/76/84/01/1176768401.db2.gz VOAJIBQMSOCCFP-ONEGZZNKSA-N 2 0 290.411 1.937 10 0 CDAERP CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001700468317 1176958777 /nfs/dbraw/zinc/95/87/77/1176958777.db2.gz YRJGYKZRQXMNQH-UONOGXRCSA-N 2 0 269.433 1.563 10 0 CDAERP CC[C@H](F)C[N@H+]1CC=C(CNC(=O)CC[NH+](C)CC)CC1 ZINC001701059529 1177260274 /nfs/dbraw/zinc/26/02/74/1177260274.db2.gz FERJBKNCADBUFZ-HNNXBMFYSA-N 2 0 299.434 1.825 10 0 CDAERP CCCC[N@H+]1CC=C(CNC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001701058251 1177261966 /nfs/dbraw/zinc/26/19/66/1177261966.db2.gz SUQLRXXQTWJADI-HNNXBMFYSA-N 2 0 293.455 1.877 10 0 CDAERP Cc1noc(C)c1C[N@@H+](C)CCCNC(=O)CC[NH+](C)C ZINC001707402806 1178021275 /nfs/dbraw/zinc/02/12/75/1178021275.db2.gz SKBVIUZACHHHHO-UHFFFAOYSA-N 2 0 296.415 1.181 10 0 CDAERP CC[N@@H+]1CC[C@H](CNCc2ccc(O)c(F)c2)C1 ZINC000232422216 1178190990 /nfs/dbraw/zinc/19/09/90/1178190990.db2.gz VTVOQULCBYJPGZ-GFCCVEGCSA-N 2 0 252.333 1.963 10 0 CDAERP CC[NH+]1CCC(C[NH2+]CCS(=O)(=O)C(C)C)CC1 ZINC000233505208 1178208074 /nfs/dbraw/zinc/20/80/74/1178208074.db2.gz GBDQDJDDRRDCOQ-UHFFFAOYSA-N 2 0 276.446 1.131 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001713319899 1178494962 /nfs/dbraw/zinc/49/49/62/1178494962.db2.gz JOISFTCDLLKJQJ-UONOGXRCSA-N 2 0 267.417 1.531 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCCC(C)(C)C ZINC001713339351 1178507975 /nfs/dbraw/zinc/50/79/75/1178507975.db2.gz HGAKZJQRYLZMGT-KBPBESRZSA-N 2 0 283.460 1.859 10 0 CDAERP CCCC[NH2+][C@H](CC)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001714074693 1178961468 /nfs/dbraw/zinc/96/14/68/1178961468.db2.gz SCKYOTZXOQGEMF-CABCVRRESA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@H](C[NH2+]CCCF)C1)[NH+](C)C ZINC001714087188 1178966591 /nfs/dbraw/zinc/96/65/91/1178966591.db2.gz WBMGZNQMHSYECT-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001714444712 1179142339 /nfs/dbraw/zinc/14/23/39/1179142339.db2.gz ZACWEKLWWRMFSA-AWEZNQCLSA-N 2 0 281.444 1.470 10 0 CDAERP CC(C)=CC[N@@H+](C)CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001714571742 1179226168 /nfs/dbraw/zinc/22/61/68/1179226168.db2.gz HADGBIVBNXRSSW-HUUCEWRRSA-N 2 0 281.444 1.873 10 0 CDAERP CCC/C=C\CCN1CC(NC(=O)Cn2ccnc2C)C1 ZINC001714960290 1179477275 /nfs/dbraw/zinc/47/72/75/1179477275.db2.gz YFBFIQCIGFSYJR-WAYWQWQTSA-N 2 0 290.411 1.738 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N[C@@](C)(C[NH2+]CCCF)C2CC2)C1 ZINC001715115738 1179557215 /nfs/dbraw/zinc/55/72/15/1179557215.db2.gz HLOCKNUGEGMBRT-BBRMVZONSA-N 2 0 299.434 1.562 10 0 CDAERP CC(C)C[C@@H](C[NH2+]CCF)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001715391958 1179654893 /nfs/dbraw/zinc/65/48/93/1179654893.db2.gz KZVJCIXRQSUWSI-KBPBESRZSA-N 2 0 287.423 1.418 10 0 CDAERP CCN(CC[NH2+]CCC(C)C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001715736048 1179785264 /nfs/dbraw/zinc/78/52/64/1179785264.db2.gz ZOOGPCWYQUZWKB-MRXNPFEDSA-N 2 0 295.471 1.812 10 0 CDAERP C[C@H](C[NH2+]CCC(C)(C)C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001715954790 1179939243 /nfs/dbraw/zinc/93/92/43/1179939243.db2.gz MPFJJAJMTRUYGW-ZIAGYGMSSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@@H](C[NH2+]C/C=C/Cl)NC(=O)C1([NH+](C)C)CCC1 ZINC001715979646 1179959879 /nfs/dbraw/zinc/95/98/79/1179959879.db2.gz RILLVFNHNPZPEL-BWNDKRECSA-N 2 0 273.808 1.318 10 0 CDAERP C[C@@H](C[NH2+]C/C=C\Cl)NC(=O)C1([NH+](C)C)CCC1 ZINC001715979649 1179960687 /nfs/dbraw/zinc/96/06/87/1179960687.db2.gz RILLVFNHNPZPEL-OFSNVTPPSA-N 2 0 273.808 1.318 10 0 CDAERP C[C@@H](C[NH2+]C/C=C\Cl)NC(=O)C1(C[NH+](C)C)CC1 ZINC001715991748 1179969087 /nfs/dbraw/zinc/96/90/87/1179969087.db2.gz BERDMOMAAWYQQS-IBHLPDHGSA-N 2 0 273.808 1.175 10 0 CDAERP O=C(CC[NH+]1CCCCC1)NC/C=C\C[NH2+]C/C=C\Cl ZINC001716380211 1180174145 /nfs/dbraw/zinc/17/41/45/1180174145.db2.gz YQHBNZVNBZQQLX-RMFUBFLQSA-N 2 0 299.846 1.877 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C[NH2+]C/C=C\Cl)[NH+](C)C ZINC001716443343 1180213103 /nfs/dbraw/zinc/21/31/03/1180213103.db2.gz QIAGOJYNJMFZQW-QIAMSNJGSA-N 2 0 261.797 1.173 10 0 CDAERP CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001716485063 1180246709 /nfs/dbraw/zinc/24/67/09/1180246709.db2.gz NIVKRFFASODFAS-UONOGXRCSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@H](C)NC(=O)C[NH+](C)C(C)C ZINC001716508377 1180262122 /nfs/dbraw/zinc/26/21/22/1180262122.db2.gz LBQHSKDUOAAMHG-AWEZNQCLSA-N 2 0 269.433 1.729 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CC[NH+](C)C ZINC001716517847 1180264635 /nfs/dbraw/zinc/26/46/35/1180264635.db2.gz IAYHNZLAYXMDID-KBPBESRZSA-N 2 0 269.433 1.611 10 0 CDAERP CC[C@@H](C)C[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001716541700 1180278086 /nfs/dbraw/zinc/27/80/86/1180278086.db2.gz FJRARVPYGMQALW-RBSFLKMASA-N 2 0 283.460 1.811 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCC1CC1)C1CC1 ZINC001716606964 1180302227 /nfs/dbraw/zinc/30/22/27/1180302227.db2.gz ZIBMKKXUWDSHFK-GJZGRUSLSA-N 2 0 279.428 1.365 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1CC ZINC001716637837 1180316693 /nfs/dbraw/zinc/31/66/93/1180316693.db2.gz TZSSVLVPFFUPDO-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001717106596 1180532821 /nfs/dbraw/zinc/53/28/21/1180532821.db2.gz QGVARGRNUJSUEN-OLZOCXBDSA-N 2 0 255.406 1.175 10 0 CDAERP CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCCOC)CC1)[NH+](C)C ZINC001717199827 1180570222 /nfs/dbraw/zinc/57/02/22/1180570222.db2.gz UHMCYACMGCECFV-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP COCCC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@H]1C ZINC001717338553 1180621948 /nfs/dbraw/zinc/62/19/48/1180621948.db2.gz WHDPVTKPOGFZDG-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP CCC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C(C)(C)C1 ZINC001717584788 1180750958 /nfs/dbraw/zinc/75/09/58/1180750958.db2.gz CSNCFDFCKBKRNN-QWHCGFSZSA-N 2 0 269.433 1.563 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCF)C1 ZINC001717641297 1180769715 /nfs/dbraw/zinc/76/97/15/1180769715.db2.gz DCTRSCJEMGNIBC-IHRRRGAJSA-N 2 0 285.407 1.315 10 0 CDAERP CC1CC(C[NH2+]CCCN(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001723114551 1181519580 /nfs/dbraw/zinc/51/95/80/1181519580.db2.gz OGWAWXVKHPHEGO-UHFFFAOYSA-N 2 0 295.471 1.812 10 0 CDAERP C[C@@H](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CCCO ZINC001725008562 1181822877 /nfs/dbraw/zinc/82/28/77/1181822877.db2.gz UUZXKHLJMZJTGS-GJZGRUSLSA-N 2 0 299.459 1.118 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]CC1CCC1 ZINC001725106910 1181864628 /nfs/dbraw/zinc/86/46/28/1181864628.db2.gz KDMIUOMGXRVWFW-NWDGAFQWSA-N 2 0 255.406 1.221 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001725368756 1181977087 /nfs/dbraw/zinc/97/70/87/1181977087.db2.gz XPSPUMWLUJKIBW-SHTZXODSSA-N 2 0 293.455 1.613 10 0 CDAERP CCOCC[N@H+](C)CCN(C(=O)[C@H]1CC[NH+](C)C1)C(C)C ZINC001725733054 1182115406 /nfs/dbraw/zinc/11/54/06/1182115406.db2.gz MZJYPSIFEIMAEB-HNNXBMFYSA-N 2 0 299.459 1.143 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)CC[NH+]1CCCCC1 ZINC001731286320 1182295997 /nfs/dbraw/zinc/29/59/97/1182295997.db2.gz KDYUZNKYRXAGRP-UHFFFAOYSA-N 2 0 283.460 1.957 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)CC1CCC1 ZINC001731322440 1182317174 /nfs/dbraw/zinc/31/71/74/1182317174.db2.gz OZQMGPCMKLGYKD-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP CC/C=C\CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC001731562796 1182449486 /nfs/dbraw/zinc/44/94/86/1182449486.db2.gz DPQJRLPGQFJPIS-AIZYXWRMSA-N 2 0 291.439 1.483 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]CC2CC2)CC[N@@H+]1C ZINC001731594415 1182469514 /nfs/dbraw/zinc/46/95/14/1182469514.db2.gz NTYZVDYZCRQABA-KWCYVHTRSA-N 2 0 267.417 1.221 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccccc1 ZINC001731614462 1182480488 /nfs/dbraw/zinc/48/04/88/1182480488.db2.gz IULFKEOPDOFXBU-CYBMUJFWSA-N 2 0 263.385 1.233 10 0 CDAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CCCC1CCC1 ZINC001731637669 1182495573 /nfs/dbraw/zinc/49/55/73/1182495573.db2.gz RVOBXVHEMPYPRT-AWEZNQCLSA-N 2 0 281.444 1.757 10 0 CDAERP CC[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001731960396 1182700604 /nfs/dbraw/zinc/70/06/04/1182700604.db2.gz FSSJGHFFEXYMCZ-OLZOCXBDSA-N 2 0 253.390 1.071 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001732327337 1182907131 /nfs/dbraw/zinc/90/71/31/1182907131.db2.gz CUQDJYVZBFYDIG-BZUAXINKSA-N 2 0 293.455 1.873 10 0 CDAERP Cc1cc(C[NH2+]CC[C@@H](C)NC(=O)C[N@H+](C)C(C)C)on1 ZINC001732753670 1183109436 /nfs/dbraw/zinc/10/94/36/1183109436.db2.gz HHHTXIWXHUEVJU-GFCCVEGCSA-N 2 0 296.415 1.308 10 0 CDAERP CC(C)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001732753771 1183109844 /nfs/dbraw/zinc/10/98/44/1183109844.db2.gz OGSDTMPCBOTVTF-OLZOCXBDSA-N 2 0 255.406 1.079 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CCC1CCCC1 ZINC001732836596 1183150934 /nfs/dbraw/zinc/15/09/34/1183150934.db2.gz TWMNGBDMKRDEFK-AWFCHZOYSA-N 2 0 293.455 1.923 10 0 CDAERP CC[C@H](C)C[NH2+]C/C=C/CNC(=O)C12CC[NH+](CC1)C2 ZINC001732924534 1183186235 /nfs/dbraw/zinc/18/62/35/1183186235.db2.gz UMQZSAHXTVAMQW-NNTXTVRGSA-N 2 0 279.428 1.390 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C[NH2+]CC[C@@H](C)F)[NH+](C)C ZINC001732960464 1183205838 /nfs/dbraw/zinc/20/58/38/1183205838.db2.gz USOYLUUXBFFDJS-IJLUTSLNSA-N 2 0 261.385 1.169 10 0 CDAERP C[C@H](C[NH2+]C/C=C\Cl)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001732960453 1183206024 /nfs/dbraw/zinc/20/60/24/1183206024.db2.gz UKGXRTVOXKUGRZ-LWSHCTJVSA-N 2 0 273.808 1.318 10 0 CDAERP COCCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@@H]1C ZINC001734393796 1183760669 /nfs/dbraw/zinc/76/06/69/1183760669.db2.gz HCCAQLUIIDNHIX-HIFRSBDPSA-N 2 0 297.443 1.086 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407336386 1186620322 /nfs/dbraw/zinc/62/03/22/1186620322.db2.gz UPYASYFQNWGONG-RDBSUJKOSA-N 2 0 265.401 1.118 10 0 CDAERP CCc1ccccc1C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000397586635 1187293336 /nfs/dbraw/zinc/29/33/36/1187293336.db2.gz JOUJZMIBGXWLGA-UHFFFAOYSA-N 2 0 262.397 1.795 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=[NH2+])N1CC[C@H](CC)C1 ZINC000864458453 1164546387 /nfs/dbraw/zinc/54/63/87/1164546387.db2.gz ZGKYLRVLBPAPMV-OLZOCXBDSA-N 2 0 254.422 1.973 10 0 CDAERP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC1 ZINC000870947638 738423660 /nfs/dbraw/zinc/42/36/60/738423660.db2.gz GPTNMXQMESYXAI-OEUWWYETSA-N 2 0 291.439 1.350 10 0 CDAERP C[NH+](C)CC1CCC([NH2+]C[C@@H](O)c2ccccn2)CC1 ZINC000853102148 736458580 /nfs/dbraw/zinc/45/85/80/736458580.db2.gz GKQCYUUWWKRMPF-ZBCRRDGASA-N 2 0 277.412 1.825 10 0 CDAERP c1cn(CCC[NH2+][C@H](c2ncccn2)C2CC2)cn1 ZINC000932356686 736589198 /nfs/dbraw/zinc/58/91/98/736589198.db2.gz KYJCYROIUKEOPS-ZDUSSCGKSA-N 2 0 257.341 1.804 10 0 CDAERP [NH3+][C@@H]1CCC[C@H](c2nc([C@@H]3CN4CCC[C@@H]4CO3)no2)C1 ZINC000091685802 736603399 /nfs/dbraw/zinc/60/33/99/736603399.db2.gz NDKJJEOHSIZGTK-LOWDOPEQSA-N 2 0 292.383 1.590 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1c1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000823168382 736604655 /nfs/dbraw/zinc/60/46/55/736604655.db2.gz UEALEWJGDURUCG-JOYOIKCWSA-N 2 0 269.308 1.850 10 0 CDAERP C[NH+](C)Cc1ccc(NC(=O)C[C@H]2CC[NH2+]C2)cc1F ZINC000844189552 736663231 /nfs/dbraw/zinc/66/32/31/736663231.db2.gz NXHNVDXQVRZNIG-LLVKDONJSA-N 2 0 279.359 1.825 10 0 CDAERP C[C@@H]1CN(C(=[NH2+])NCCC[N@H+](C)C2CCCCC2)CCO1 ZINC000848987935 736695435 /nfs/dbraw/zinc/69/54/35/736695435.db2.gz QPWMQZYGPLUYLB-CQSZACIVSA-N 2 0 296.459 1.886 10 0 CDAERP C[C@@H]([NH2+]CC[C@]1(O)CCOC1)c1cccc(C[NH+](C)C)c1 ZINC000926648501 736716756 /nfs/dbraw/zinc/71/67/56/736716756.db2.gz GROJOUSSCMSOHW-PBHICJAKSA-N 2 0 292.423 1.940 10 0 CDAERP C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)O[C@@H]1CCOC1 ZINC000923359830 736722807 /nfs/dbraw/zinc/72/28/07/736722807.db2.gz VSQYRELNRCOKNV-OWCLPIDISA-N 2 0 282.428 1.504 10 0 CDAERP C[C@](O)(C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)c1ccco1 ZINC000850159152 736793042 /nfs/dbraw/zinc/79/30/42/736793042.db2.gz BUMLXGIBBNQPLP-INIZCTEOSA-N 2 0 298.346 1.858 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(C)(C)C[NH3+])C1 ZINC000870991705 736829047 /nfs/dbraw/zinc/82/90/47/736829047.db2.gz GRJUNDZXEYZILJ-AWEZNQCLSA-N 2 0 255.406 1.195 10 0 CDAERP CCOC(=O)[C@@H]1C[C@H]1C[NH+]1CCC(n2ccnc2)CC1 ZINC000929804776 737001237 /nfs/dbraw/zinc/00/12/37/737001237.db2.gz YHBLYTBKMGCYBH-GXTWGEPZSA-N 2 0 277.368 1.719 10 0 CDAERP C[NH+](C)C1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000036192243 736923015 /nfs/dbraw/zinc/92/30/15/736923015.db2.gz ROJBNCAXGJJXHL-OAHLLOKOSA-N 2 0 275.396 1.629 10 0 CDAERP [NH3+]C[C@H]1CN(CCC[NH2+]C2CC2)CC[C@@H]1C(F)(F)F ZINC000923401502 736923642 /nfs/dbraw/zinc/92/36/42/736923642.db2.gz OQDGTRDCTCYTHL-JQWIXIFHSA-N 2 0 279.350 1.588 10 0 CDAERP CC1CC[NH+](CCN[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925549616 736932128 /nfs/dbraw/zinc/93/21/28/736932128.db2.gz YTYLAUYFUSHJFM-AWEZNQCLSA-N 2 0 251.418 1.593 10 0 CDAERP Cc1cc([C@H]([NH3+])CC(=O)NC[C@H]([NH3+])C2CC2)cc(Cl)n1 ZINC000834408945 736954089 /nfs/dbraw/zinc/95/40/89/736954089.db2.gz YILAOLLCHRXQJG-NEPJUHHUSA-N 2 0 296.802 1.287 10 0 CDAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CCCS2)C[C@H]1C[NH+](C)C ZINC000870022220 737053574 /nfs/dbraw/zinc/05/35/74/737053574.db2.gz YZNWVVBZEHUUJU-MGPQQGTHSA-N 2 0 299.484 1.080 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000851657919 737062409 /nfs/dbraw/zinc/06/24/09/737062409.db2.gz QMWOCLUCHQBHEN-MGPQQGTHSA-N 2 0 284.448 1.532 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+]CC[C@@H]1CCCS1(=O)=O ZINC000714358033 737068353 /nfs/dbraw/zinc/06/83/53/737068353.db2.gz SPXRHYOFCIIJJO-NEPJUHHUSA-N 2 0 262.419 1.061 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000844191943 737087040 /nfs/dbraw/zinc/08/70/40/737087040.db2.gz ULIOPEPCRUBEIJ-CYBMUJFWSA-N 2 0 290.411 1.504 10 0 CDAERP CNC(=O)NC[C@H]1CCCC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000866685396 1164807424 /nfs/dbraw/zinc/80/74/24/1164807424.db2.gz KTNBQXNSWIPVIO-OAHLLOKOSA-N 2 0 296.459 1.550 10 0 CDAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261896137 737180759 /nfs/dbraw/zinc/18/07/59/737180759.db2.gz WASNFSKSMDUTEJ-JZAZDWQXSA-N 2 0 279.428 1.601 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)C[NH+](C)C ZINC000723639652 737197384 /nfs/dbraw/zinc/19/73/84/737197384.db2.gz SYPFXZWCFVTTFT-KBUPBQIOSA-N 2 0 254.418 1.979 10 0 CDAERP C[C@@H]1OCC[C@H]1[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925887044 737266860 /nfs/dbraw/zinc/26/68/60/737266860.db2.gz QAAWOBOBUNOSDH-ARLBYUKCSA-N 2 0 260.381 1.813 10 0 CDAERP COC1(OC)CC[C@@H]1[NH2+]CCCCn1ccnc1C ZINC000925134368 737318795 /nfs/dbraw/zinc/31/87/95/737318795.db2.gz QBRNEKDFURWCSA-ZDUSSCGKSA-N 2 0 267.373 1.713 10 0 CDAERP CC(C)[C@H](O)C1(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000925636411 737413699 /nfs/dbraw/zinc/41/36/99/737413699.db2.gz RXCGUXJUNMIGAO-AGIUHOORSA-N 2 0 252.402 1.643 10 0 CDAERP C[C@H]([NH3+])CN(C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000861615247 737480701 /nfs/dbraw/zinc/48/07/01/737480701.db2.gz INMYIYWXCONZDM-AEGPPILISA-N 2 0 290.411 1.420 10 0 CDAERP CCS(=O)(=O)CCC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925693687 737517659 /nfs/dbraw/zinc/51/76/59/737517659.db2.gz UKFJJDWGJIMCMH-NWDGAFQWSA-N 2 0 276.446 1.307 10 0 CDAERP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000923414292 737526851 /nfs/dbraw/zinc/52/68/51/737526851.db2.gz LDFTVERBLFOTHQ-AVGNSLFASA-N 2 0 268.426 1.050 10 0 CDAERP Cn1nc2c(c1C[NH2+]CC1(C)CC[NH+](C)CC1)COCC2 ZINC000921978731 737571329 /nfs/dbraw/zinc/57/13/29/737571329.db2.gz WEWRCUPSCLUVSM-UHFFFAOYSA-N 2 0 292.427 1.314 10 0 CDAERP CC(=O)NCC1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000865416972 737608041 /nfs/dbraw/zinc/60/80/41/737608041.db2.gz SMZMQMOXSNMCCT-BHUNQDJPSA-N 2 0 293.455 1.898 10 0 CDAERP Cn1ncc(CCC[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)n1 ZINC000925678789 737668705 /nfs/dbraw/zinc/66/87/05/737668705.db2.gz XDUAQSHFCPOTKE-DGCLKSJQSA-N 2 0 265.405 1.243 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](CC(=O)N2CCCCC2)C1 ZINC000866703594 737721325 /nfs/dbraw/zinc/72/13/25/737721325.db2.gz MGJOOXVWEZUYRC-MRXNPFEDSA-N 2 0 281.444 1.696 10 0 CDAERP CO[C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)C12CCC2 ZINC000453090881 737752004 /nfs/dbraw/zinc/75/20/04/737752004.db2.gz LBRKYDVIHOECCI-SOUVJXGZSA-N 2 0 282.428 1.380 10 0 CDAERP CC1(C)[C@@H]([NH3+])c2ccccc2N1C[C@@H]1C[NH2+]CCO1 ZINC000866700848 737753405 /nfs/dbraw/zinc/75/34/05/737753405.db2.gz ABYAQQVXDLBSOD-FZMZJTMJSA-N 2 0 261.369 1.273 10 0 CDAERP C1=C[C@@H](C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)[C@H]2CO[C@@H]1C2 ZINC000925829112 737756612 /nfs/dbraw/zinc/75/66/12/737756612.db2.gz BLGFADJERQJTKB-FHULIHMCSA-N 2 0 292.423 1.324 10 0 CDAERP C[C@@H]1C[NH+](C[C@H]2CCCN2CCC[NH2+]C2CC2)C[C@@H](C)O1 ZINC000923322975 737766987 /nfs/dbraw/zinc/76/69/87/737766987.db2.gz UDNBBXNCHDTWRC-BFYDXBDKSA-N 2 0 295.471 1.702 10 0 CDAERP [NH3+]CCCCCC[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000846224480 737873669 /nfs/dbraw/zinc/87/36/69/737873669.db2.gz YDWHKMRFUWNGGG-CYBMUJFWSA-N 2 0 263.389 1.482 10 0 CDAERP Cc1cc(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)ccn1 ZINC000923442911 737848162 /nfs/dbraw/zinc/84/81/62/737848162.db2.gz CPVIJORGDNXFLC-HNNXBMFYSA-N 2 0 275.396 1.720 10 0 CDAERP C1CCC([C@H]2C[NH2+]CC[C@H]2[NH2+][C@H]2CCCOC2)C1 ZINC000925671310 737890689 /nfs/dbraw/zinc/89/06/89/737890689.db2.gz BZFRCKLNXWHIMT-RRFJBIMHSA-N 2 0 252.402 1.923 10 0 CDAERP C[N@@H+]1CCN(C(=O)c2csc(CC[NH3+])n2)CCC1(C)C ZINC000712607126 737891056 /nfs/dbraw/zinc/89/10/56/737891056.db2.gz YPVLCSBTTBGQEA-UHFFFAOYSA-N 2 0 296.440 1.201 10 0 CDAERP Cc1nc(F)ccc1C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000785421928 737897294 /nfs/dbraw/zinc/89/72/94/737897294.db2.gz IUTOWWGMLLQONX-UHFFFAOYSA-N 2 0 294.418 1.645 10 0 CDAERP C[NH2+]Cc1cccc(NC(=O)COC2CC[NH+](C)CC2)c1 ZINC000927768524 737924331 /nfs/dbraw/zinc/92/43/31/737924331.db2.gz SUVIXOONSQJETN-UHFFFAOYSA-N 2 0 291.395 1.455 10 0 CDAERP Cn1nccc1CCN1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000931315560 737942628 /nfs/dbraw/zinc/94/26/28/737942628.db2.gz XNKILOHRSYBAAX-GASCZTMLSA-N 2 0 262.401 1.236 10 0 CDAERP C[C@@H](C(=O)Nc1ccccc1)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923504898 738523014 /nfs/dbraw/zinc/52/30/14/738523014.db2.gz VZXVIYIGEBSCFC-HZSPNIEDSA-N 2 0 275.396 1.930 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857872808 738018854 /nfs/dbraw/zinc/01/88/54/738018854.db2.gz QERKJOGANBRZLY-ZFWWWQNUSA-N 2 0 293.459 1.649 10 0 CDAERP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)[C@@H]1CCCOC1 ZINC000723967548 738019459 /nfs/dbraw/zinc/01/94/59/738019459.db2.gz CRXSUJUFNXJDDD-KFWWJZLASA-N 2 0 270.417 1.238 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC000925506406 738042989 /nfs/dbraw/zinc/04/29/89/738042989.db2.gz RAAFIDXVZDWBLN-UONOGXRCSA-N 2 0 275.396 1.781 10 0 CDAERP CCCCOC[C@@H](O)CN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000702461952 738067819 /nfs/dbraw/zinc/06/78/19/738067819.db2.gz STJJNQQVQMHQDB-SOUVJXGZSA-N 2 0 270.417 1.095 10 0 CDAERP CCC1([NH+](C)C)CC[NH+](CCC(OC)OC)CC1 ZINC000715251008 738269179 /nfs/dbraw/zinc/26/91/79/738269179.db2.gz RBXCNCVAXJKVGD-UHFFFAOYSA-N 2 0 258.406 1.802 10 0 CDAERP C1CC([NH+]2CCC(N[C@@H]3C[N@@H+]4C[C@@H]3CCC4)CC2)C1 ZINC000924841888 738276783 /nfs/dbraw/zinc/27/67/83/738276783.db2.gz FLUSPGHHTHGZLE-XJKSGUPXSA-N 2 0 263.429 1.687 10 0 CDAERP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccnnc1 ZINC000925240835 738296443 /nfs/dbraw/zinc/29/64/43/738296443.db2.gz LHRGNUZCFHQIPX-JSGCOSHPSA-N 2 0 266.389 1.484 10 0 CDAERP CC1(C)CC[NH2+]CCN1C(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000872301158 738392093 /nfs/dbraw/zinc/39/20/93/738392093.db2.gz PXYCBBZCARVDNW-URWSZGRFSA-N 2 0 265.401 1.143 10 0 CDAERP Cc1ccccc1C[C@@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925808189 738314096 /nfs/dbraw/zinc/31/40/96/738314096.db2.gz AQLWWRPNUMCRSA-OAHLLOKOSA-N 2 0 275.440 1.939 10 0 CDAERP C[C@@H](N[C@@H]1C[NH2+]C[C@H]1C)c1ccc(-n2cncn2)cc1 ZINC000925783496 738331120 /nfs/dbraw/zinc/33/11/20/738331120.db2.gz CULIXRQGIFQCCO-LALPHHSUSA-N 2 0 271.368 1.526 10 0 CDAERP Cn1nnc2c1C[C@H]([NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)CC2 ZINC000925892931 738347909 /nfs/dbraw/zinc/34/79/09/738347909.db2.gz IABSNJWAKROUOQ-XJFOESAGSA-N 2 0 289.427 1.183 10 0 CDAERP C[C@H](O)c1ncc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)s1 ZINC000848563111 738362586 /nfs/dbraw/zinc/36/25/86/738362586.db2.gz OTZUPIHCCAJAAU-GARJFASQSA-N 2 0 269.414 1.626 10 0 CDAERP C[C@H](Cc1cnccn1)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858115060 738368972 /nfs/dbraw/zinc/36/89/72/738368972.db2.gz BITOHUYRMOZJHF-OLZOCXBDSA-N 2 0 262.401 1.870 10 0 CDAERP CC1(C)C[C@@H]([NH2+]C[C@H](O)COCC2CC2)C[C@@H]([NH3+])C1 ZINC000925616775 738372322 /nfs/dbraw/zinc/37/23/22/738372322.db2.gz NVQWUJWXYURPMD-RDBSUJKOSA-N 2 0 270.417 1.270 10 0 CDAERP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cc[nH]c(=O)c1 ZINC000922157605 738549453 /nfs/dbraw/zinc/54/94/53/738549453.db2.gz CETIGYCYLGHWKM-UHFFFAOYSA-N 2 0 251.374 1.997 10 0 CDAERP C(C[C@@H]1CC[NH2+]C1)c1nc([C@@H]2CN3CCC[C@@H]3CO2)no1 ZINC000134618398 738575563 /nfs/dbraw/zinc/57/55/63/738575563.db2.gz VDNHFMAYBRZALW-UPJWGTAASA-N 2 0 292.383 1.147 10 0 CDAERP [NH2+]=C(NCc1ccc2c[nH+]cn2c1)N1CCCCC1 ZINC000849040256 738585285 /nfs/dbraw/zinc/58/52/85/738585285.db2.gz OQTPBCUHCUYRJA-UHFFFAOYSA-N 2 0 257.341 1.845 10 0 CDAERP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CCC[NH2+]CC2)CC1 ZINC000715520907 738594145 /nfs/dbraw/zinc/59/41/45/738594145.db2.gz XACWORJLRNNRAV-WLYUNCDWSA-N 3 0 253.434 1.981 10 0 CDAERP COCC[N@H+](C)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000924653239 738646287 /nfs/dbraw/zinc/64/62/87/738646287.db2.gz IDJQWBIBXOWMDM-AGUYFDCRSA-N 2 0 272.458 1.971 10 0 CDAERP Cn1ccc(CC[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)n1 ZINC000925639157 738677701 /nfs/dbraw/zinc/67/77/01/738677701.db2.gz KESBCBILNYCIHQ-AAEUAGOBSA-N 2 0 250.390 1.458 10 0 CDAERP Cn1c(CNC[C@@H]2CCCC[N@H+](C)C2)cnc1Cl ZINC000858246205 738689510 /nfs/dbraw/zinc/68/95/10/738689510.db2.gz XOCUCBOEIJQHAH-NSHDSACASA-N 2 0 270.808 1.895 10 0 CDAERP Cn1cc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)c(Br)n1 ZINC000714086917 738697607 /nfs/dbraw/zinc/69/76/07/738697607.db2.gz NJGQXQWIIJLKQQ-SECBINFHSA-N 2 0 287.205 1.353 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715076376 738730742 /nfs/dbraw/zinc/73/07/42/738730742.db2.gz AMKPMVARTADJGU-WOPDTQHZSA-N 2 0 289.370 1.207 10 0 CDAERP CC(C)CC[NH+]1CCC([NH2+]C[C@@H](O)[C@@H]2CCCO2)CC1 ZINC000926748987 738770106 /nfs/dbraw/zinc/77/01/06/738770106.db2.gz JLSSSWBSTCLZRW-CVEARBPZSA-N 2 0 284.444 1.626 10 0 CDAERP CN(C(=O)[C@]12C[NH2+]C[C@H]1CCCC2)C1CC[NH+](C)CC1 ZINC000715365575 738781202 /nfs/dbraw/zinc/78/12/02/738781202.db2.gz INCRJHWYWXHDJC-CZUORRHYSA-N 2 0 279.428 1.319 10 0 CDAERP C[C@H](CN[C@H]1CC[NH2+]C12CCC2)[NH+]1CCC(C)CC1 ZINC000925512128 738798424 /nfs/dbraw/zinc/79/84/24/738798424.db2.gz ZVBRXQBRBMPONO-CABCVRRESA-N 2 0 265.445 1.981 10 0 CDAERP NC(=O)Cc1cccc2c1CC[N@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000866684056 738810667 /nfs/dbraw/zinc/81/06/67/738810667.db2.gz HRKQDROYNRRIJL-CYBMUJFWSA-N 2 0 287.407 1.072 10 0 CDAERP CC1(C)OC[C@@H](CCN2CCc3[nH+]ccc(N)c3C2)O1 ZINC000931516484 738814942 /nfs/dbraw/zinc/81/49/42/738814942.db2.gz VGNPKTMLSSYERC-LLVKDONJSA-N 2 0 277.368 1.564 10 0 CDAERP C[C@H]1CC[N@H+](CCc2ccc(C(N)=O)cc2)C[C@H]1C[NH3+] ZINC000866666502 738823195 /nfs/dbraw/zinc/82/31/95/738823195.db2.gz QVLZDXNOTYRSDK-SWLSCSKDSA-N 2 0 275.396 1.245 10 0 CDAERP C[NH+](C)CC[C@H](N[C@H]1CCC[C@@H]1[NH3+])c1cccnc1 ZINC000925826768 738854388 /nfs/dbraw/zinc/85/43/88/738854388.db2.gz JLFYYQIXRVENGX-KKUMJFAQSA-N 2 0 262.401 1.544 10 0 CDAERP C[NH+](C)CCN1CCC([NH2+]Cc2cn(C3CC3)cn2)CC1 ZINC000865411112 738862876 /nfs/dbraw/zinc/86/28/76/738862876.db2.gz AWZHCIQGAJPUNO-UHFFFAOYSA-N 2 0 291.443 1.334 10 0 CDAERP O=C(CCN1CCC[C@H]2[NH2+]CC[C@H]21)NCC1CCCCC1 ZINC000866725081 738878350 /nfs/dbraw/zinc/87/83/50/738878350.db2.gz OGCLHKSQBHIJBE-HZPDHXFCSA-N 2 0 293.455 1.899 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC1 ZINC000713419707 739198086 /nfs/dbraw/zinc/19/80/86/739198086.db2.gz LDTBUJUJIUUSGF-XUJVJEKNSA-N 2 0 265.401 1.104 10 0 CDAERP C[C@H]([NH2+]C1CC1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000828421278 739153829 /nfs/dbraw/zinc/15/38/29/739153829.db2.gz OYXJDRVHYBMHOX-JTQLQIEISA-N 2 0 271.324 1.346 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)[C@@H]([NH3+])CC(F)F)C1 ZINC000870994119 739187818 /nfs/dbraw/zinc/18/78/18/739187818.db2.gz NHNGEUJBZNXMTA-TVQRCGJNSA-N 2 0 277.359 1.192 10 0 CDAERP C[C@H]1C[NH+](CCN2CCC(C)([NH+](C)C)CC2)C[C@H](C)O1 ZINC000931354982 736402500 /nfs/dbraw/zinc/40/25/00/736402500.db2.gz NAEDZCCTEYCUAK-GJZGRUSLSA-N 2 0 283.460 1.512 10 0 CDAERP C[N@@H+]1C[C@@H]2C[NH+](CC[C@@H](O)c3ccccc3)C[C@]2(C)C1 ZINC000702253644 736447145 /nfs/dbraw/zinc/44/71/45/736447145.db2.gz NTFDMVCAQNRXFA-ZACQAIPSSA-N 2 0 274.408 1.994 10 0 CDAERP Cn1ccc([C@H]2CCCN(CCC[NH2+]C3CC3)C2)n1 ZINC000923433029 736563654 /nfs/dbraw/zinc/56/36/54/736563654.db2.gz UQHLSBRPKWRHLG-ZDUSSCGKSA-N 2 0 262.401 1.742 10 0 CDAERP CC[C@H]([NH2+]CC1(C2(O)CCOCC2)CC1)[C@@H]1CCC[NH2+]1 ZINC000925826604 736595404 /nfs/dbraw/zinc/59/54/04/736595404.db2.gz OAJOCOOWVMFWAV-KBPBESRZSA-N 2 0 282.428 1.428 10 0 CDAERP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000926200608 736684552 /nfs/dbraw/zinc/68/45/52/736684552.db2.gz IFYGZNMDWYPUPB-NJINODPHSA-N 2 0 295.471 1.560 10 0 CDAERP Cc1cc(C)n(CC[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000386919415 736888322 /nfs/dbraw/zinc/88/83/22/736888322.db2.gz RGALMUWYSAULCW-RISCZKNCSA-N 2 0 250.390 1.417 10 0 CDAERP COC[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])C(C)C ZINC000925873215 736891109 /nfs/dbraw/zinc/89/11/09/736891109.db2.gz GQEKLSXAFXEUBM-IGQOVBAYSA-N 2 0 258.406 1.247 10 0 CDAERP C[NH+](C)[C@H](CNC(=[NH2+])NC[C@@H]1CCCO1)C1CCCCC1 ZINC000066245339 738937393 /nfs/dbraw/zinc/93/73/93/738937393.db2.gz CECAFDPFECDMLQ-LSDHHAIUSA-N 2 0 296.459 1.580 10 0 CDAERP [NH3+]C[C@H]1CN(CCSC(F)(F)F)CCCO1 ZINC000313341745 736921059 /nfs/dbraw/zinc/92/10/59/736921059.db2.gz FXTNDCCGEOCJDC-QMMMGPOBSA-N 2 0 258.309 1.289 10 0 CDAERP CC1CC[NH+](CCCCNC(=[NH2+])N2CCO[C@@H](C)C2)CC1 ZINC000848989134 736986213 /nfs/dbraw/zinc/98/62/13/736986213.db2.gz AHUPFPSSIBSJGK-HNNXBMFYSA-N 2 0 296.459 1.744 10 0 CDAERP C[C@H](CN1CCCC1=O)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925501908 737014683 /nfs/dbraw/zinc/01/46/83/737014683.db2.gz CTFRQBDCUIVANC-FRRDWIJNSA-N 2 0 267.417 1.493 10 0 CDAERP C[C@@H](N[C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000925884049 737026332 /nfs/dbraw/zinc/02/63/32/737026332.db2.gz QPPXHOHGHGMRQW-SIXLDLHFSA-N 2 0 273.424 1.776 10 0 CDAERP C[C@@H](CNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C)[NH+]1CCCCC1 ZINC000841726884 737045617 /nfs/dbraw/zinc/04/56/17/737045617.db2.gz VSQMYJPJNWFIIQ-HZSPNIEDSA-N 2 0 282.432 1.158 10 0 CDAERP C[NH2+]C[C@@H](C)NC(=O)C[C@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000852920438 737105778 /nfs/dbraw/zinc/10/57/78/737105778.db2.gz BOKFBHNWZBDAKN-KOLCDFICSA-N 2 0 284.791 1.157 10 0 CDAERP CC(C)C[C@H]([NH3+])C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000870997134 737112749 /nfs/dbraw/zinc/11/27/49/737112749.db2.gz PHPOAOINAQRICP-SWLSCSKDSA-N 2 0 269.433 1.583 10 0 CDAERP [NH3+]C1CCC([NH2+][C@@H]2CCCN3CCSC[C@H]23)CC1 ZINC000718348963 737115293 /nfs/dbraw/zinc/11/52/93/737115293.db2.gz DGVVLMMCGWYCQV-NWINJMCUSA-N 2 0 269.458 1.426 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)C2CC2)[C@@H](C)C1 ZINC000838934435 737146851 /nfs/dbraw/zinc/14/68/51/737146851.db2.gz VRJLMVPNKVGEDM-CWRNSKLLSA-N 2 0 284.444 1.484 10 0 CDAERP Cc1nn(C)c(Cl)c1CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000310870214 737161015 /nfs/dbraw/zinc/16/10/15/737161015.db2.gz TZSRGJYPLWEHIZ-DLOVCJGASA-N 2 0 268.792 1.551 10 0 CDAERP O[C@@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)C1(O)CCCC1 ZINC000929719028 737328739 /nfs/dbraw/zinc/32/87/39/737328739.db2.gz LSIGGILFFHKGDF-HOTGVXAUSA-N 2 0 296.455 1.460 10 0 CDAERP CCO[C@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)CN(C)C ZINC000926965757 737426648 /nfs/dbraw/zinc/42/66/48/737426648.db2.gz UDOGVGVTMQJRNH-DZGCQCFKSA-N 2 0 271.449 1.273 10 0 CDAERP COC(=O)CCCC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709866583 737588521 /nfs/dbraw/zinc/58/85/21/737588521.db2.gz BPAJUXZJQDDNJU-AWEZNQCLSA-N 2 0 254.374 1.405 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCOc2cccnc2)[C@H]2CCC[C@H]21 ZINC000796763032 737672760 /nfs/dbraw/zinc/67/27/60/737672760.db2.gz RQUSNYYUDHQZNN-OWCLPIDISA-N 2 0 275.396 1.923 10 0 CDAERP Cn1nnc2c1C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H]3CCC[C@H]31)CC2 ZINC000927148936 737715613 /nfs/dbraw/zinc/71/56/13/737715613.db2.gz YUOPTVPWSGMCST-OSFYFWSMSA-N 2 0 289.427 1.135 10 0 CDAERP CCN(CC(F)(F)F)C(=O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000866660433 737720057 /nfs/dbraw/zinc/72/00/57/737720057.db2.gz FPPZLRFVUOKSOB-UHFFFAOYSA-N 2 0 295.349 1.599 10 0 CDAERP Cc1cnc(Cl)c(C[NH2+]CCCN2CC[NH+](C)CC2)c1 ZINC000921505055 737863354 /nfs/dbraw/zinc/86/33/54/737863354.db2.gz FZRFETJSOGCNSA-UHFFFAOYSA-N 2 0 296.846 1.771 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)C1CCCCC1 ZINC000872274524 737912374 /nfs/dbraw/zinc/91/23/74/737912374.db2.gz ALVJGXMEJWOPLT-AESZEHBQSA-N 2 0 293.455 1.741 10 0 CDAERP CC(C)[C@H]1CN(C(=O)N[C@@H]2CC[NH+](C)[C@H]2C)CC[N@@H+]1C ZINC000925358206 737934004 /nfs/dbraw/zinc/93/40/04/737934004.db2.gz ZBTMQRSAJCIQAC-BFHYXJOUSA-N 2 0 282.432 1.061 10 0 CDAERP CC1(C)[C@H](N[C@H]2CC[N@H+](CC3CC3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925555883 737937536 /nfs/dbraw/zinc/93/75/36/737937536.db2.gz IGOSDCWNWLYGLS-XUWVNRHRSA-N 2 0 277.456 1.837 10 0 CDAERP CC1CC[NH+](CCCNC(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000091540536 737982041 /nfs/dbraw/zinc/98/20/41/737982041.db2.gz KUCOLPDOOXDSDK-UONOGXRCSA-N 2 0 267.417 1.352 10 0 CDAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@@H]3CC[C@H](C(F)(F)F)O3)C[C@@H]12 ZINC000721439420 737982881 /nfs/dbraw/zinc/98/28/81/737982881.db2.gz AKHVQNSOGVYMGO-IYKVGLELSA-N 2 0 278.318 1.765 10 0 CDAERP C[C@@H]1COC[C@@H](C)C1[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000924956948 738220652 /nfs/dbraw/zinc/22/06/52/738220652.db2.gz CLDWBWFRBBOBQE-HUUCEWRRSA-N 2 0 297.487 1.521 10 0 CDAERP C(C[NH+]1CCC(N2CCCOCC2)CC1)[C@@H]1CCCO1 ZINC000931287852 738397684 /nfs/dbraw/zinc/39/76/84/738397684.db2.gz VEDSZXMUAAQZJE-INIZCTEOSA-N 2 0 282.428 1.742 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CC[NH+](C)C(C)(C)CC2)CC[N@@H+]1C ZINC000871157011 739018713 /nfs/dbraw/zinc/01/87/13/739018713.db2.gz RTIOEUIKDIYWIV-KBPBESRZSA-N 2 0 281.444 1.659 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)CC1 ZINC000928077758 739038689 /nfs/dbraw/zinc/03/86/89/739038689.db2.gz IFGNJDUTTJUJJA-QWHCGFSZSA-N 2 0 297.468 1.024 10 0 CDAERP CCCCNC(=O)[C@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923311118 739041323 /nfs/dbraw/zinc/04/13/23/739041323.db2.gz RHJMCRPWARHRMB-AWEZNQCLSA-N 2 0 281.444 1.757 10 0 CDAERP O=C1O[C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CN1C1CC1 ZINC000848568920 739067131 /nfs/dbraw/zinc/06/71/31/739067131.db2.gz AQHKWLOPYUWOER-IACUBPJLSA-N 2 0 279.384 1.186 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]CCCNC(=O)c2cccs2)C12CCC2 ZINC000925600294 739113209 /nfs/dbraw/zinc/11/32/09/739113209.db2.gz VAWREVVTAIINHL-CHWSQXEVSA-N 2 0 293.436 1.728 10 0 CDAERP C[NH+]1CCC(CC(=O)N2CC[N@H+](C)C(C)(C)CC2)CC1 ZINC000871156370 1165270566 /nfs/dbraw/zinc/27/05/66/1165270566.db2.gz YKJYCMFSDOXPSK-UHFFFAOYSA-N 2 0 281.444 1.661 10 0 CDAERP Cc1ccc(NCCNC(=O)C[N@H+]2CC[C@H](C)C2)nc1 ZINC001635554761 1166597303 /nfs/dbraw/zinc/59/73/03/1166597303.db2.gz WFYDBEQTDQLNAP-ZDUSSCGKSA-N 2 0 276.384 1.260 10 0 CDAERP C[C@H](CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)[N@H+](C)C1CC1 ZINC000925496645 1166734115 /nfs/dbraw/zinc/73/41/15/1166734115.db2.gz ROTCPDQSMOADOS-RZFFKMDDSA-N 2 0 265.445 1.835 10 0 CDAERP CCOCC[NH2+]CCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001567589834 1168064909 /nfs/dbraw/zinc/06/49/09/1168064909.db2.gz PIEZWNZRKOSTCX-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NCCC[NH+](CC2CC2)C2CC2)C1 ZINC001566600622 1168350983 /nfs/dbraw/zinc/35/09/83/1168350983.db2.gz GXIHULHONQZXFJ-HNNXBMFYSA-N 2 0 293.455 1.709 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC001647231971 1168474139 /nfs/dbraw/zinc/47/41/39/1168474139.db2.gz OGVCMRWLTOVWHD-ZIAGYGMSSA-N 2 0 273.380 1.788 10 0 CDAERP CCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001567045677 1168529366 /nfs/dbraw/zinc/52/93/66/1168529366.db2.gz IEKDDZBAADOXQP-UONOGXRCSA-N 2 0 269.433 1.613 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001266533425 895255910 /nfs/dbraw/zinc/25/59/10/895255910.db2.gz JQOLPOAZWZONCX-AWEZNQCLSA-N 2 0 267.417 1.176 10 0 CDAERP CC[NH2+][C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001266599267 895504545 /nfs/dbraw/zinc/50/45/45/895504545.db2.gz DUDSVJFZCFFWGM-AVGNSLFASA-N 2 0 253.390 1.118 10 0 CDAERP CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C(C)C)[C@H]1CCCOC1 ZINC000723969346 896307061 /nfs/dbraw/zinc/30/70/61/896307061.db2.gz PDSYEAFLWABBRG-KKUMJFAQSA-N 2 0 272.433 1.482 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NC2CCC([NH2+]CCCF)CC2)C1 ZINC001266916008 896333582 /nfs/dbraw/zinc/33/35/82/896333582.db2.gz JIGSXJWLRVHWHB-IYXRBSQSSA-N 2 0 285.407 1.315 10 0 CDAERP CCC[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001266994770 896514844 /nfs/dbraw/zinc/51/48/44/896514844.db2.gz PBWWGTZBIDYPRW-KGLIPLIRSA-N 2 0 269.433 1.611 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H](C[NH2+]CCCF)C2)C1 ZINC001267064051 896667923 /nfs/dbraw/zinc/66/79/23/896667923.db2.gz CDRNPQJUMPPXOT-KBPBESRZSA-N 2 0 285.407 1.126 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CC[C@@H](C[NH2+]CC2CCC2)C1 ZINC001267066906 896676082 /nfs/dbraw/zinc/67/60/82/896676082.db2.gz LNBSKOMDXNRXLY-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001418642083 897088960 /nfs/dbraw/zinc/08/89/60/897088960.db2.gz SGCZJLYCPWAJFZ-LSDHHAIUSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@@H](C(=O)N1CCC([C@@H](C)[NH2+]CCOC)CC1)[NH+](C)C ZINC001267492134 898147466 /nfs/dbraw/zinc/14/74/66/898147466.db2.gz FOYJEYMCPQPUOA-HIFRSBDPSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001267725855 899401033 /nfs/dbraw/zinc/40/10/33/899401033.db2.gz GVWOUYDNBUVFGU-KBPBESRZSA-N 2 0 267.417 1.460 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](CC[NH2+]CC2CC2)C1 ZINC001272651295 914357078 /nfs/dbraw/zinc/35/70/78/914357078.db2.gz CVHKJAIZSNEBSC-OAHLLOKOSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CC=C(C)C ZINC001267806778 899778703 /nfs/dbraw/zinc/77/87/03/899778703.db2.gz ZVRABRSNBLNIRA-HZPDHXFCSA-N 2 0 293.455 1.779 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]Cc2ccccc2)C1 ZINC001481279520 899957162 /nfs/dbraw/zinc/95/71/62/899957162.db2.gz IGVWNMPJAPYDLT-OAHLLOKOSA-N 2 0 289.423 1.576 10 0 CDAERP Cc1c(C(=O)NC[C@@H](C)C[NH2+]CCF)ccc2c[nH+]cn21 ZINC001267992028 900215129 /nfs/dbraw/zinc/21/51/29/900215129.db2.gz CYADZAAWXKMWSZ-NSHDSACASA-N 2 0 292.358 1.568 10 0 CDAERP CCC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001481372965 900505554 /nfs/dbraw/zinc/50/55/54/900505554.db2.gz SQQXHMIZGYEUSI-JKSUJKDBSA-N 2 0 289.423 1.795 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC001481390237 900536609 /nfs/dbraw/zinc/53/66/09/900536609.db2.gz IYPWICWUSYYGMU-OKILXGFUSA-N 2 0 267.417 1.410 10 0 CDAERP CCC[NH2+]C[C@H](CC(C)C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001268114978 901326770 /nfs/dbraw/zinc/32/67/70/901326770.db2.gz LCAPGMGQNCOYKH-CABCVRRESA-N 2 0 283.460 1.859 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711350203 901427777 /nfs/dbraw/zinc/42/77/77/901427777.db2.gz HTGOCJQVLZTFGK-NEPJUHHUSA-N 2 0 255.406 1.079 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001481696111 901820603 /nfs/dbraw/zinc/82/06/03/901820603.db2.gz BEQBZEYVBGJTPI-NWRQEBOHSA-N 2 0 279.428 1.485 10 0 CDAERP CC[C@H](C(=O)N(CC)CC[NH2+]Cc1cnc(C)o1)[NH+](C)C ZINC001268492422 902374879 /nfs/dbraw/zinc/37/48/79/902374879.db2.gz DWIATPPNCZTSOQ-CQSZACIVSA-N 2 0 296.415 1.261 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC1CCCCC1 ZINC001268522440 902502106 /nfs/dbraw/zinc/50/21/06/902502106.db2.gz LGCZDBSPFHJGSD-OGZRUICASA-N 2 0 293.455 1.923 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC/C=C\C[NH2+]C(C)C)CC[N@@H+]1C ZINC001268541479 902535131 /nfs/dbraw/zinc/53/51/31/902535131.db2.gz FGPUIKBEBMHIBZ-LAYDCRAFSA-N 2 0 267.417 1.387 10 0 CDAERP C[NH+](C)CCCC(=O)N1CCC[C@@H]1C[NH2+]C/C=C/Cl ZINC001482061778 902575481 /nfs/dbraw/zinc/57/54/81/902575481.db2.gz WSOHTAZZCIOACA-OQHXTRMZSA-N 2 0 287.835 1.661 10 0 CDAERP CC(C)C[NH2+]CCCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001268824534 903159415 /nfs/dbraw/zinc/15/94/15/903159415.db2.gz IKVCWURGRNWQOR-UHFFFAOYSA-N 2 0 269.433 1.422 10 0 CDAERP CC/C=C\CCN1CCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001482198070 903234011 /nfs/dbraw/zinc/23/40/11/903234011.db2.gz HMVPGDMSCAKKNL-IYKSTZQJSA-N 2 0 297.443 1.111 10 0 CDAERP CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001269755322 904088587 /nfs/dbraw/zinc/08/85/87/904088587.db2.gz LUIAZMXXRZEPEH-HUUCEWRRSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CCCF)CC[N@@H+]1C ZINC001482287618 904617276 /nfs/dbraw/zinc/61/72/76/904617276.db2.gz DIEBVHLHXSMGRK-HZSPNIEDSA-N 2 0 287.423 1.513 10 0 CDAERP CCOCCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001482435429 905403288 /nfs/dbraw/zinc/40/32/88/905403288.db2.gz QFQWDIOSXAXTOR-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@@H](C[NH2+]CCF)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001271101235 905651066 /nfs/dbraw/zinc/65/10/66/905651066.db2.gz LODWGMISMVKMRX-LBPRGKRZSA-N 2 0 275.412 1.370 10 0 CDAERP C[C@@H]([NH2+]CCCF)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001271654106 906572894 /nfs/dbraw/zinc/57/28/94/906572894.db2.gz BHUTVZGHWAPIOT-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)CC(F)F ZINC000849045907 906795145 /nfs/dbraw/zinc/79/51/45/906795145.db2.gz RLHUMMXBIHRIGD-WDEREUQCSA-N 2 0 276.375 1.876 10 0 CDAERP CC(C)[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CCC1CC1 ZINC001482565097 907145887 /nfs/dbraw/zinc/14/58/87/907145887.db2.gz IUFMLGTUVGVZEZ-HOTGVXAUSA-N 2 0 295.471 1.859 10 0 CDAERP CO[C@H](C)C[N@@H+]1CCC[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001423691994 907717083 /nfs/dbraw/zinc/71/70/83/907717083.db2.gz BCCFBKTWPRHTEX-ZBFHGGJFSA-N 2 0 299.459 1.191 10 0 CDAERP CC[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001482930045 908498961 /nfs/dbraw/zinc/49/89/61/908498961.db2.gz BTLITMJHFKLTKQ-OAHLLOKOSA-N 2 0 281.444 1.851 10 0 CDAERP CCN(CC[NH2+]CCCF)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001482950653 908537144 /nfs/dbraw/zinc/53/71/44/908537144.db2.gz ZBQJJDCBVLTTRX-CYBMUJFWSA-N 2 0 273.396 1.126 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001483138453 909784047 /nfs/dbraw/zinc/78/40/47/909784047.db2.gz YABUMVFDNBACFL-NEPJUHHUSA-N 2 0 273.396 1.313 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cccnc1 ZINC001409450368 910409844 /nfs/dbraw/zinc/40/98/44/910409844.db2.gz DLTKXGYCZOGKEL-ZIAGYGMSSA-N 2 0 292.427 1.405 10 0 CDAERP C[N@H+](CCOCC[NH3+])C[C@H]1CCC2(CCC2)CO1 ZINC000716335973 910629363 /nfs/dbraw/zinc/62/93/63/910629363.db2.gz RRTCEOKCDLDJDF-CYBMUJFWSA-N 2 0 256.390 1.243 10 0 CDAERP COCC[NH2+][C@H](C)CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001507129536 910787923 /nfs/dbraw/zinc/78/79/23/910787923.db2.gz JJIDRTQMOFXELT-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)[NH2+]CC[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001484542184 915871731 /nfs/dbraw/zinc/87/17/31/915871731.db2.gz DEMUTHCZTZBUJD-ZIAGYGMSSA-N 2 0 292.427 1.825 10 0 CDAERP CC/C=C/CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001272688331 916027715 /nfs/dbraw/zinc/02/77/15/916027715.db2.gz JHVZKGUQJVWNKQ-ICWYTKJFSA-N 2 0 281.444 1.921 10 0 CDAERP CC(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001485230629 916687568 /nfs/dbraw/zinc/68/75/68/916687568.db2.gz WRGMJIBSVOLARX-STQMWFEESA-N 2 0 257.422 1.465 10 0 CDAERP C[C@H](F)CC[N@H+](C)[C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001485312379 916796806 /nfs/dbraw/zinc/79/68/06/916796806.db2.gz ICTGOVGZHSJOHJ-STQMWFEESA-N 2 0 287.423 1.655 10 0 CDAERP CC(C)=CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001485732358 917246141 /nfs/dbraw/zinc/24/61/41/917246141.db2.gz GJDMPFQXLINAAC-HUUCEWRRSA-N 2 0 281.444 1.921 10 0 CDAERP CCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001272781563 919271188 /nfs/dbraw/zinc/27/11/88/919271188.db2.gz HVNHMLMQZKRXIO-OCCSQVGLSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@@H]1[C@H]([NH2+]CCCF)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001486085273 920685655 /nfs/dbraw/zinc/68/56/55/920685655.db2.gz PGEMBIZKNPXUCQ-TZMCWYRMSA-N 2 0 285.407 1.267 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001486219065 920828780 /nfs/dbraw/zinc/82/87/80/920828780.db2.gz QMQYEMUKMMATEG-ZIAGYGMSSA-N 2 0 269.433 1.613 10 0 CDAERP CC[C@H](F)C[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001273554634 920888987 /nfs/dbraw/zinc/88/89/87/920888987.db2.gz NGGSAPQJMBTXHV-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC([NH2+]CCCF)C1 ZINC001486458295 921034692 /nfs/dbraw/zinc/03/46/92/921034692.db2.gz XICXCGXPIYFAEO-BPCQOVAHSA-N 2 0 271.380 1.019 10 0 CDAERP CCC[NH2+]C[C@H](C)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001568313061 1169239048 /nfs/dbraw/zinc/23/90/48/1169239048.db2.gz VCSPMDBAQPFQDH-STQMWFEESA-N 2 0 255.406 1.175 10 0 CDAERP CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001490982836 936837579 /nfs/dbraw/zinc/83/75/79/936837579.db2.gz MSGASOBGVSXFPH-LSDHHAIUSA-N 2 0 293.455 1.661 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCCF)C1)[NH+]1CCCC1 ZINC001491083836 936852655 /nfs/dbraw/zinc/85/26/55/936852655.db2.gz WUZYIYKAZJSKJC-ZNMIVQPWSA-N 2 0 299.434 1.703 10 0 CDAERP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCO[C@@H]1CCOC1 ZINC000923328575 923741228 /nfs/dbraw/zinc/74/12/28/923741228.db2.gz AMQHNYSRZKJNRN-WTUNAVPPSA-N 2 0 254.374 1.136 10 0 CDAERP [NH3+]CC(C[NH3+])NC[C@H]1CCC[C@H](c2ccccc2)O1 ZINC000923356957 923778433 /nfs/dbraw/zinc/77/84/33/923778433.db2.gz RJWTWOIEPYRCED-HUUCEWRRSA-N 2 0 263.385 1.172 10 0 CDAERP COc1cccc([C@@H](C)[NH2+]C[C@H]2CC3(C[NH2+]C3)CO2)c1 ZINC000923388603 923803566 /nfs/dbraw/zinc/80/35/66/923803566.db2.gz PZEWHDMQHDJMJG-IUODEOHRSA-N 2 0 276.380 1.724 10 0 CDAERP C[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1CC[NH3+] ZINC000923432201 923828339 /nfs/dbraw/zinc/82/83/39/923828339.db2.gz XOVJJXKGQLLMKJ-BMFZPTHFSA-N 2 0 262.397 1.507 10 0 CDAERP C[C@H]1C[N@H+](Cc2noc3c2CCCC3)CC[C@H]1C[NH3+] ZINC000923496930 923882032 /nfs/dbraw/zinc/88/20/32/923882032.db2.gz KJVQPTIFFIYSBY-RYUDHWBXSA-N 2 0 263.385 1.970 10 0 CDAERP C[C@@H]1C[N@H+](Cc2cn(-c3ccccc3)nn2)CC[C@@H]1C[NH3+] ZINC000923500835 923885264 /nfs/dbraw/zinc/88/52/64/923885264.db2.gz YJWXOFWJEVWYBK-ZIAGYGMSSA-N 2 0 285.395 1.684 10 0 CDAERP COCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001649459292 1169263146 /nfs/dbraw/zinc/26/31/46/1169263146.db2.gz MKAASNAYEFWFGJ-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@H]([NH3+])C1CCN(C(=O)[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC001118260098 924058631 /nfs/dbraw/zinc/05/86/31/924058631.db2.gz BWINBKZDCZKEJF-DRZSPHRISA-N 2 0 253.390 1.090 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001491506627 936926708 /nfs/dbraw/zinc/92/67/08/936926708.db2.gz TWRVOGPVOWVQBB-STQMWFEESA-N 2 0 255.406 1.221 10 0 CDAERP CN(C(=O)[C@@H]1CCCC[C@H]1[NH3+])c1cc(C[NH3+])ccn1 ZINC001119621671 925440616 /nfs/dbraw/zinc/44/06/16/925440616.db2.gz OTZPKPHQIZCBBT-VXGBXAGGSA-N 2 0 262.357 1.021 10 0 CDAERP C[C@@H]1[C@H]([NH2+]C/C=C\Cl)CCN1C(=O)C[NH+]1CCCC1 ZINC001410877447 926720735 /nfs/dbraw/zinc/72/07/35/926720735.db2.gz YXTCIIXRRHUKQG-FSMZVQOTSA-N 2 0 285.819 1.414 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CCC(F)(F)F)CN1C(=O)CC[NH+](C)C ZINC001410882664 926726409 /nfs/dbraw/zinc/72/64/09/926726409.db2.gz ZRTMCWWDVJDIOG-MNOVXSKESA-N 2 0 295.349 1.470 10 0 CDAERP O[C@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccccn1 ZINC000851727786 927612076 /nfs/dbraw/zinc/61/20/76/927612076.db2.gz XIWCACHHVJTPMJ-QGZVFWFLSA-N 2 0 289.423 1.923 10 0 CDAERP CC[NH+](CC)C[C@H](C)N[C@H]1CC[NH2+]C12CCCC2 ZINC000925488907 928402188 /nfs/dbraw/zinc/40/21/88/928402188.db2.gz WBBFEGUNILLLGN-KBPBESRZSA-N 2 0 253.434 1.981 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000861602598 929312772 /nfs/dbraw/zinc/31/27/72/929312772.db2.gz LBUCZEPPXWNRLJ-ZOBORPQBSA-N 2 0 282.432 1.299 10 0 CDAERP CCOC(=O)C(F)(F)[C@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)C1 ZINC000863488601 929559528 /nfs/dbraw/zinc/55/95/28/929559528.db2.gz YEHVQWJLXHYPLL-FIQHERPVSA-N 2 0 290.354 1.694 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CCC[N@H+](C)CC2)C1 ZINC001135486776 930221326 /nfs/dbraw/zinc/22/13/26/930221326.db2.gz GPQNOFFIMOJUCL-ZIAGYGMSSA-N 2 0 267.417 1.271 10 0 CDAERP Cc1nocc1C[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001441644270 930409224 /nfs/dbraw/zinc/40/92/24/930409224.db2.gz AAUKYHGCSOEGQE-GFCCVEGCSA-N 2 0 296.415 1.260 10 0 CDAERP COc1ccccc1[C@H](O)C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000817894419 930622050 /nfs/dbraw/zinc/62/20/50/930622050.db2.gz YRKIIIZAHWWCQZ-GMXVVIOVSA-N 2 0 252.358 1.444 10 0 CDAERP CC(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001275468351 931813259 /nfs/dbraw/zinc/81/32/59/931813259.db2.gz ALQJOSCLTDSRRS-CHWSQXEVSA-N 2 0 257.422 1.467 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCCC(=O)NC)[C@@H](C)C1 ZINC001118365072 937620457 /nfs/dbraw/zinc/62/04/57/937620457.db2.gz DTCFIRTVHCIXEW-QWHCGFSZSA-N 2 0 255.406 1.175 10 0 CDAERP CCC(CC)(C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)C(=O)OC ZINC000925647790 932921222 /nfs/dbraw/zinc/92/12/22/932921222.db2.gz HHALJXYCBRLQCY-NEPJUHHUSA-N 2 0 268.401 1.825 10 0 CDAERP C(C[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)CN1CC[NH2+]CC1 ZINC000925695672 932928689 /nfs/dbraw/zinc/92/86/89/932928689.db2.gz XYXSPLWFYWPKMI-BZUAXINKSA-N 2 0 281.444 1.077 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925786446 932939633 /nfs/dbraw/zinc/93/96/33/932939633.db2.gz ORTAMPZNUBYYKD-OEAJRASXSA-N 2 0 265.445 1.600 10 0 CDAERP CC1(C)CC[C@H]1[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925852422 932945880 /nfs/dbraw/zinc/94/58/80/932945880.db2.gz UNCIHUVTZSOPTE-NWDGAFQWSA-N 2 0 266.385 1.450 10 0 CDAERP CCc1onc(C)c1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000925890781 932950254 /nfs/dbraw/zinc/95/02/54/932950254.db2.gz RJCLYNNHILAQOX-OASPWFOLSA-N 2 0 267.373 1.387 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000926684876 933013710 /nfs/dbraw/zinc/01/37/10/933013710.db2.gz IAPKZEMYZAGOCF-JUVOFCAFSA-N 2 0 297.487 1.806 10 0 CDAERP C[NH+]1CCC(CCNC(=[NH2+])NC[C@H]2CCCS2)CC1 ZINC001119555484 937732287 /nfs/dbraw/zinc/73/22/87/937732287.db2.gz OTWFFKGSHOMAEW-CYBMUJFWSA-N 2 0 284.473 1.728 10 0 CDAERP COC(CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)OC ZINC000686609533 934177185 /nfs/dbraw/zinc/17/71/85/934177185.db2.gz NVRGRDJQJRBTBQ-QWHCGFSZSA-N 2 0 256.390 1.412 10 0 CDAERP CS[C@@H]1CN(C(=O)[C@H](C)CC[NH+](C)C)C[C@@H]1[NH+](C)C ZINC001412782983 934353252 /nfs/dbraw/zinc/35/32/52/934353252.db2.gz MJQRIUPGDQRSCE-FRRDWIJNSA-N 2 0 287.473 1.078 10 0 CDAERP CN(CCC[NH2+]CC1CCCC1)C(=O)C12CC[NH+](CC1)C2 ZINC001276334077 935017517 /nfs/dbraw/zinc/01/75/17/935017517.db2.gz ZALWVWKZXHBJCW-UHFFFAOYSA-N 2 0 293.455 1.711 10 0 CDAERP CC(C)=CC[NH2+]CC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001568698213 1169435786 /nfs/dbraw/zinc/43/57/86/1169435786.db2.gz AUPNHPYYKQMCKU-GJZGRUSLSA-N 2 0 281.444 1.779 10 0 CDAERP C[C@H](NC(=O)C[NH+]1CCCC1)C1C[NH+](CCCCCF)C1 ZINC001276462155 939763240 /nfs/dbraw/zinc/76/32/40/939763240.db2.gz XUZSGHOMCYXSLO-AWEZNQCLSA-N 2 0 299.434 1.659 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]C/C=C\Cl)C1CC1 ZINC001276649051 940599509 /nfs/dbraw/zinc/59/95/09/940599509.db2.gz WIFWBDHUQVBYOY-AUXFESMGSA-N 2 0 273.808 1.175 10 0 CDAERP Cc1cc(C)n(CCC[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)n1 ZINC000405344373 940983841 /nfs/dbraw/zinc/98/38/41/940983841.db2.gz KDSAHHIMZHDKEZ-KGLIPLIRSA-N 2 0 262.401 1.750 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH+](C)C2CC2)C1 ZINC001362019498 970783192 /nfs/dbraw/zinc/78/31/92/970783192.db2.gz KJJDDTUBJMPMRG-KGLIPLIRSA-N 2 0 281.444 1.706 10 0 CDAERP CCC[N@@H+]1CC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001276956523 941731077 /nfs/dbraw/zinc/73/10/77/941731077.db2.gz NJYZROUBIQPXPL-ZDUSSCGKSA-N 2 0 255.406 1.319 10 0 CDAERP CCCCC[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001277060950 941893216 /nfs/dbraw/zinc/89/32/16/941893216.db2.gz VMIAKRVZXMDSBD-OAHLLOKOSA-N 2 0 293.455 1.757 10 0 CDAERP C[NH+](C)CCn1ccc(NC(=O)C2([NH+](C)C)CCCC2)n1 ZINC001362091279 970875905 /nfs/dbraw/zinc/87/59/05/970875905.db2.gz VQHZLLIHGYZCLH-UHFFFAOYSA-N 2 0 293.415 1.258 10 0 CDAERP CCC[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001568800976 1169481347 /nfs/dbraw/zinc/48/13/47/1169481347.db2.gz YBPANZOZAMIUFU-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP C[C@@H](CCC[NH2+]CC1CC1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001283241113 942865689 /nfs/dbraw/zinc/86/56/89/942865689.db2.gz YJQSCDQLSFQIHH-KGLIPLIRSA-N 2 0 281.444 1.613 10 0 CDAERP CCCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001283651088 942959516 /nfs/dbraw/zinc/95/95/16/942959516.db2.gz BSGIVMTULCIVPT-KBPBESRZSA-N 2 0 269.433 1.707 10 0 CDAERP CC[NH2+][C@H](CCNC(=O)C[N@H+](C)C1CCC1)C(C)C ZINC001277576415 943026834 /nfs/dbraw/zinc/02/68/34/943026834.db2.gz DONCDKRRWREGTD-CQSZACIVSA-N 2 0 269.433 1.611 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)N2CC[N@H+](C)CC2(C)C)C1 ZINC001362159951 970959268 /nfs/dbraw/zinc/95/92/68/970959268.db2.gz GCNYFRBWHAQIBC-KBPBESRZSA-N 2 0 281.444 1.659 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CCCF)C(C)(C)C1 ZINC001284336248 943149996 /nfs/dbraw/zinc/14/99/96/943149996.db2.gz RNFCWBBHFXYSHD-ZDUSSCGKSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001277621519 943154335 /nfs/dbraw/zinc/15/43/35/943154335.db2.gz BPWXFRDIPFFOFU-CVEARBPZSA-N 2 0 293.455 1.873 10 0 CDAERP CN(C(=O)C[NH+]1CCCC1)[C@@H](C[NH2+]C/C=C\Cl)C1CC1 ZINC001277725702 943421613 /nfs/dbraw/zinc/42/16/13/943421613.db2.gz AYOAESLNBJOZHT-ZBKLQPJUSA-N 2 0 299.846 1.661 10 0 CDAERP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[NH2+]CC1CC1 ZINC001264517923 944144735 /nfs/dbraw/zinc/14/47/35/944144735.db2.gz MWZKUMZTWIMHEH-GDBMZVCRSA-N 2 0 295.471 1.955 10 0 CDAERP COCCC[N@@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001265217234 944282890 /nfs/dbraw/zinc/28/28/90/944282890.db2.gz SOZDALQKKFPFMW-CQSZACIVSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)C[C@@H](CNC(=O)CC[N@@H+]1CC[C@H](F)C1)[NH+](C)C ZINC001362250067 971072642 /nfs/dbraw/zinc/07/26/42/971072642.db2.gz SXXRJUPIDNRRKL-KBPBESRZSA-N 2 0 287.423 1.513 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001265566393 944431965 /nfs/dbraw/zinc/43/19/65/944431965.db2.gz GPOBJFYUJLKOCO-FQUUOJAGSA-N 2 0 269.433 1.610 10 0 CDAERP CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CCF)[NH+](C)C ZINC001265681445 944467521 /nfs/dbraw/zinc/46/75/21/944467521.db2.gz AJJQEYOKPQIDTA-STQMWFEESA-N 2 0 273.396 1.267 10 0 CDAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CCC1CC1 ZINC001265824452 944525341 /nfs/dbraw/zinc/52/53/41/944525341.db2.gz WTRPZHWCXSGGSZ-STQMWFEESA-N 2 0 267.417 1.223 10 0 CDAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC1CCC1 ZINC001265824568 944525684 /nfs/dbraw/zinc/52/56/84/944525684.db2.gz YXAYDHFEKUDSPY-OLZOCXBDSA-N 2 0 267.417 1.223 10 0 CDAERP CCCCCC[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001265864690 944548276 /nfs/dbraw/zinc/54/82/76/944548276.db2.gz VOTZOYMMZGWDKE-KGLIPLIRSA-N 2 0 269.433 1.613 10 0 CDAERP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC1=CCCCC1 ZINC001278017346 944590515 /nfs/dbraw/zinc/59/05/15/944590515.db2.gz JLCKILOSZUURRG-GDBMZVCRSA-N 2 0 293.455 1.875 10 0 CDAERP CCC[N@H+](C)CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001265954424 944593783 /nfs/dbraw/zinc/59/37/83/944593783.db2.gz QTRDQLJUQQTSET-CYBMUJFWSA-N 2 0 255.406 1.176 10 0 CDAERP CC/C=C\CC[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001279321341 944794598 /nfs/dbraw/zinc/79/45/98/944794598.db2.gz BOHWRHKRBIPZMB-QLZPWUABSA-N 2 0 293.455 1.873 10 0 CDAERP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]CCC(C)(C)C ZINC001491562609 944821532 /nfs/dbraw/zinc/82/15/32/944821532.db2.gz AWKGXGQZONBHKV-ZDUSSCGKSA-N 2 0 283.460 1.859 10 0 CDAERP CCC[NH2+]C/C=C\CNC(=O)C1([NH+](C)C)CCC1 ZINC001568863649 1169524051 /nfs/dbraw/zinc/52/40/51/1169524051.db2.gz YJQLGWCGPKHYJV-WAYWQWQTSA-N 2 0 253.390 1.143 10 0 CDAERP C[NH+](C)C1(C(=O)NCC2(C)CC[NH+](C)CC2)CCCC1 ZINC001362311608 971144903 /nfs/dbraw/zinc/14/49/03/971144903.db2.gz OTLOTNDKRQONAK-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@H](C(=O)NC/C=C\C[NH2+]Cc1conc1C)[NH+](C)C ZINC001568870279 1169527092 /nfs/dbraw/zinc/52/70/92/1169527092.db2.gz AJFMNVDCUVVYIL-LMVHVUTASA-N 2 0 294.399 1.085 10 0 CDAERP C[NH+](C)CCC(=O)NC/C=C/C[NH2+]Cc1cccc(F)c1 ZINC001568911876 1169546185 /nfs/dbraw/zinc/54/61/85/1169546185.db2.gz IFDPQKAGXKBSKM-ONEGZZNKSA-N 2 0 293.386 1.539 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001479263941 971277736 /nfs/dbraw/zinc/27/77/36/971277736.db2.gz IHGHWAUWXOGPQV-OAHLLOKOSA-N 2 0 279.428 1.581 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001479727962 971384979 /nfs/dbraw/zinc/38/49/79/971384979.db2.gz VGABHGWYILURBJ-OAGGEKHMSA-N 2 0 295.471 1.953 10 0 CDAERP C[N@H+](CCF)CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001479775585 971411447 /nfs/dbraw/zinc/41/14/47/971411447.db2.gz BJLMNQSLWDMOKW-OAHLLOKOSA-N 2 0 299.434 1.801 10 0 CDAERP CC[N@@H+]1CC[C@H]1C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC001362822334 971645991 /nfs/dbraw/zinc/64/59/91/971645991.db2.gz FOXLPRLBARVMRZ-GJZGRUSLSA-N 2 0 279.428 1.271 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001480436762 971727032 /nfs/dbraw/zinc/72/70/32/971727032.db2.gz WZAIFBUOVBCXNL-CHWSQXEVSA-N 2 0 253.390 1.141 10 0 CDAERP CCC(CC)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001480436600 971727075 /nfs/dbraw/zinc/72/70/75/971727075.db2.gz UCANXNUJRVNIJB-OCCSQVGLSA-N 2 0 269.433 1.611 10 0 CDAERP CC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC1(C)C ZINC001278666495 951282032 /nfs/dbraw/zinc/28/20/32/951282032.db2.gz CSXVUMFNBPQEDK-GFCCVEGCSA-N 2 0 267.417 1.175 10 0 CDAERP CCCCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001480487176 971751585 /nfs/dbraw/zinc/75/15/85/971751585.db2.gz SVAGZAKFGQEKQC-UONOGXRCSA-N 2 0 269.433 1.755 10 0 CDAERP CCCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)CC1(C)C ZINC001278685146 951689099 /nfs/dbraw/zinc/68/90/99/951689099.db2.gz SNFMOBYDDACXLE-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CC1CC(C)(C)C1 ZINC001493059028 971935034 /nfs/dbraw/zinc/93/50/34/971935034.db2.gz URCDWBVJBBTPIZ-HNNXBMFYSA-N 2 0 295.471 1.812 10 0 CDAERP CC(=O)N1CCC([NH2+]Cc2ccc3c[nH+]cn3c2)CC1 ZINC001363884364 953969074 /nfs/dbraw/zinc/96/90/74/953969074.db2.gz HALQCBOPYFOXBA-UHFFFAOYSA-N 2 0 272.352 1.435 10 0 CDAERP C[NH2+][C@@H](C)CCNC(=O)C[C@@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC001326001909 954178659 /nfs/dbraw/zinc/17/86/59/954178659.db2.gz RYPLVJYAXNBVAN-JOYOIKCWSA-N 2 0 298.818 1.548 10 0 CDAERP CC(C)C[NH2+]CC[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001326363050 954339972 /nfs/dbraw/zinc/33/99/72/954339972.db2.gz DXZDLDQWHXOIND-CVEARBPZSA-N 2 0 295.471 1.812 10 0 CDAERP C[NH+](C)CCC[C@H]1C[N@H+](CC23CC(C)(C2)OC3)CCO1 ZINC001364481207 954666708 /nfs/dbraw/zinc/66/67/08/954666708.db2.gz JMRFNDXRJXZJQU-FHERZECASA-N 2 0 282.428 1.598 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC(CC)([NH2+]CC)CC1 ZINC001327488272 954902869 /nfs/dbraw/zinc/90/28/69/954902869.db2.gz FHBUAKNBIYZNQE-UHFFFAOYSA-N 2 0 269.433 1.709 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001328344042 955270764 /nfs/dbraw/zinc/27/07/64/955270764.db2.gz UFWSONDXFKWVMU-HOCLYGCPSA-N 2 0 293.455 1.779 10 0 CDAERP C[C@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH2+]CCF ZINC001491579530 955296703 /nfs/dbraw/zinc/29/67/03/955296703.db2.gz MIFZEWHEBNSAAF-RISCZKNCSA-N 2 0 291.386 1.263 10 0 CDAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC1CCCC1 ZINC001491578615 955297128 /nfs/dbraw/zinc/29/71/28/955297128.db2.gz FWABYILNQIYODL-KBPBESRZSA-N 2 0 281.444 1.613 10 0 CDAERP CO[C@H](C)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001493614089 972089169 /nfs/dbraw/zinc/08/91/69/972089169.db2.gz UBIXFHFSZIVANL-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCC[C@]3(CCOC3)O2)C1 ZINC001421552557 955405970 /nfs/dbraw/zinc/40/59/70/955405970.db2.gz ABIJDXIBXMBLEG-GVDBMIGSSA-N 2 0 296.455 1.988 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@@H](C[NH2+]C/C=C\Cl)C1 ZINC001491832736 955457569 /nfs/dbraw/zinc/45/75/69/955457569.db2.gz SWSADPKNYTTZOS-RYBZSIHZSA-N 2 0 273.808 1.129 10 0 CDAERP C[C@H](F)CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CCC1 ZINC001421754846 955525480 /nfs/dbraw/zinc/52/54/80/955525480.db2.gz UDDNBLVIYIFMFD-UONOGXRCSA-N 2 0 299.434 1.847 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NC2CC(C[NH2+]CCCCCF)C2)C1 ZINC001328953750 955577673 /nfs/dbraw/zinc/57/76/73/955577673.db2.gz AWAJMCMBSPFCMA-SLTAFYQDSA-N 2 0 299.434 1.562 10 0 CDAERP CC/C=C/CC[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001492068172 955605416 /nfs/dbraw/zinc/60/54/16/955605416.db2.gz VXVGKOXLARCJMM-XEVLESSRSA-N 2 0 281.444 1.921 10 0 CDAERP Cc1cnc(C[NH2+][C@H](C)CCNC(=O)C[NH+]2CCCC2)o1 ZINC001492128554 955641471 /nfs/dbraw/zinc/64/14/71/955641471.db2.gz XDBBVFHDVWXTPD-GFCCVEGCSA-N 2 0 294.399 1.063 10 0 CDAERP CCC[NH2+]C1(C)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001422054446 955722576 /nfs/dbraw/zinc/72/25/76/955722576.db2.gz QTBIOYMQLUSSHC-HNNXBMFYSA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH+](C)CC[C@H]1CCOC1 ZINC001422227624 955868208 /nfs/dbraw/zinc/86/82/08/955868208.db2.gz CAEAPJRCYNXUPS-HNNXBMFYSA-N 2 0 299.459 1.143 10 0 CDAERP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]C/C(Cl)=C\Cl ZINC001422396440 955983536 /nfs/dbraw/zinc/98/35/36/955983536.db2.gz WJDKUGSRDWQHBR-FUYRDSRRSA-N 2 0 296.242 1.740 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@H](C[NH2+]CCC2CCCC2)C1 ZINC001317333275 956185329 /nfs/dbraw/zinc/18/53/29/956185329.db2.gz CMNNFEIRMQOHSS-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP CC[NH2+]CC1(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCCCC1 ZINC001422676650 956248143 /nfs/dbraw/zinc/24/81/43/956248143.db2.gz NBBGFHBXUZIWGM-OAHLLOKOSA-N 2 0 293.455 1.757 10 0 CDAERP C[NH+](C)CCC(=O)NCCC[N@H+](C)CC1CC(F)(F)C1 ZINC001316845372 956255868 /nfs/dbraw/zinc/25/58/68/956255868.db2.gz HHUUPFFENLQCAR-UHFFFAOYSA-N 2 0 291.386 1.422 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@H]1C[N@H+](CCCF)CC1(C)C ZINC001422792259 956356697 /nfs/dbraw/zinc/35/66/97/956356697.db2.gz WKUIHXWXMWKKML-ZDUSSCGKSA-N 2 0 287.423 1.514 10 0 CDAERP CN(C[C@H]1CC[N@@H+]1CCC1CC1)C(=O)C[NH+]1CCCC1 ZINC001365799276 956371032 /nfs/dbraw/zinc/37/10/32/956371032.db2.gz AXQYQQCLWNTTRD-OAHLLOKOSA-N 2 0 279.428 1.415 10 0 CDAERP CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CC2)C1)[NH+](C)C ZINC001365825183 956388268 /nfs/dbraw/zinc/38/82/68/956388268.db2.gz GGNAUMMSHLWPJO-XHSDSOJGSA-N 2 0 295.471 1.857 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001365851499 956407491 /nfs/dbraw/zinc/40/74/91/956407491.db2.gz ODYHFEUABZDZGW-KKUMJFAQSA-N 2 0 281.444 1.469 10 0 CDAERP CC(C)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001422873752 956418403 /nfs/dbraw/zinc/41/84/03/956418403.db2.gz PQONOQABPHISIN-KKUMJFAQSA-N 2 0 283.460 1.809 10 0 CDAERP CC(C)C[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001422907816 956443233 /nfs/dbraw/zinc/44/32/33/956443233.db2.gz XSGQARHXBNBVDD-WKILWMFISA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)CCC[N@H+](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001422929270 956458169 /nfs/dbraw/zinc/45/81/69/956458169.db2.gz RRNHEMCNIGGBMU-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001366120564 956578828 /nfs/dbraw/zinc/57/88/28/956578828.db2.gz MYKPISRWSBJAHU-JHJVBQTASA-N 2 0 285.407 1.313 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001317478263 956635218 /nfs/dbraw/zinc/63/52/18/956635218.db2.gz DRPCTMXPUXVYKF-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CCCC[N@H+]1CCCF ZINC001366204063 956635349 /nfs/dbraw/zinc/63/53/49/956635349.db2.gz CDNRCIYDXWRYFY-AWEZNQCLSA-N 2 0 285.407 1.413 10 0 CDAERP CCCC[N@H+](C)CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001316859276 956647212 /nfs/dbraw/zinc/64/72/12/956647212.db2.gz MYYGPLYXAQSUEK-AWEZNQCLSA-N 2 0 269.433 1.566 10 0 CDAERP CC[C@H](F)C[NH2+][C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001366284713 956711087 /nfs/dbraw/zinc/71/10/87/956711087.db2.gz FHILNDRJTVOSBS-KBPBESRZSA-N 2 0 299.434 1.705 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC[C@H](C)F)CC1 ZINC001423307209 956716024 /nfs/dbraw/zinc/71/60/24/956716024.db2.gz KLSCHBBTZVUOSX-UONOGXRCSA-N 2 0 299.434 1.847 10 0 CDAERP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1cncs1 ZINC001366320248 956739517 /nfs/dbraw/zinc/73/95/17/956739517.db2.gz FAHMVGKGXFITFH-NSHDSACASA-N 2 0 296.440 1.079 10 0 CDAERP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]C/C=C\Cl ZINC001366346905 956762315 /nfs/dbraw/zinc/76/23/15/956762315.db2.gz PSOAPXXZQHGIHC-MEPZIYLKSA-N 2 0 273.808 1.175 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+](CCC(F)(F)F)C1 ZINC001423576945 956875116 /nfs/dbraw/zinc/87/51/16/956875116.db2.gz CLRXGVGCKLJKBP-LBPRGKRZSA-N 2 0 295.349 1.471 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001366527123 956922851 /nfs/dbraw/zinc/92/28/51/956922851.db2.gz KMTUKEKXVMWKNN-SOUVJXGZSA-N 2 0 283.460 1.811 10 0 CDAERP CC[N@H+](CCNC(=O)C12CCC[NH+](CCC1)C2)CC1CC1 ZINC001366611897 957038258 /nfs/dbraw/zinc/03/82/58/957038258.db2.gz GJMKATLBJXPMPL-UHFFFAOYSA-N 2 0 293.455 1.711 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001316823913 957049966 /nfs/dbraw/zinc/04/99/66/957049966.db2.gz KXTKQPRZFOSACW-GOEBONIOSA-N 2 0 295.471 1.812 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCCF ZINC001424055465 957102047 /nfs/dbraw/zinc/10/20/47/957102047.db2.gz SYBDYMRXLSCFLR-GJZGRUSLSA-N 2 0 299.434 1.753 10 0 CDAERP COCCC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001316934338 957134715 /nfs/dbraw/zinc/13/47/15/957134715.db2.gz UZWYTJIATQFELG-OAHLLOKOSA-N 2 0 297.443 1.040 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001316947860 957144225 /nfs/dbraw/zinc/14/42/25/957144225.db2.gz OQAHAHWXWLMVBI-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP C[NH2+]CCOCCN(C)Cc1nc2c(s1)C[C@H](C)CC2 ZINC001331763287 957248222 /nfs/dbraw/zinc/24/82/22/957248222.db2.gz WLNIAPIXYBUVHK-GFCCVEGCSA-N 2 0 297.468 1.936 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001317085129 957258160 /nfs/dbraw/zinc/25/81/60/957258160.db2.gz FJJICWNMYPCLRE-IHRRRGAJSA-N 2 0 267.417 1.508 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CCC[N@H+](CC2CC(C)C2)C1)[NH+](C)C ZINC001366903892 957262120 /nfs/dbraw/zinc/26/21/20/957262120.db2.gz HXBOOXOSZJTUAK-SSHXOBKSSA-N 2 0 295.471 1.953 10 0 CDAERP COCCC[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001317127543 957291182 /nfs/dbraw/zinc/29/11/82/957291182.db2.gz IGLMHTIBEAWJDO-GASCZTMLSA-N 2 0 297.443 1.136 10 0 CDAERP CCOCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001317180092 957327119 /nfs/dbraw/zinc/32/71/19/957327119.db2.gz IHPJVEMTWGFKQL-OAHLLOKOSA-N 2 0 297.443 1.089 10 0 CDAERP Cc1cccnc1C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001367032212 957356490 /nfs/dbraw/zinc/35/64/90/957356490.db2.gz IMLRAINMUVUTRL-CQSZACIVSA-N 2 0 290.411 1.032 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCCC1CCC1 ZINC001317228796 957359610 /nfs/dbraw/zinc/35/96/10/957359610.db2.gz KLOXRXGDLIHRTF-UKRRQHHQSA-N 2 0 281.444 1.755 10 0 CDAERP Cc1c(C(=O)NC[C@@H](C)[NH2+]CCCF)ccc2c[nH+]cn21 ZINC001317260125 957386439 /nfs/dbraw/zinc/38/64/39/957386439.db2.gz NZSYJQGLPMLADP-LLVKDONJSA-N 2 0 292.358 1.710 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CCC2CC2)C1 ZINC001317312342 957417288 /nfs/dbraw/zinc/41/72/88/957417288.db2.gz GTAFVIATICSUIG-LSDHHAIUSA-N 2 0 279.428 1.319 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)CC1CCCCC1 ZINC001425077365 957464410 /nfs/dbraw/zinc/46/44/10/957464410.db2.gz QFJWYXJYFDYWEV-GDBMZVCRSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](F)CC[NH+]1CC([C@@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001425246447 957499483 /nfs/dbraw/zinc/49/94/83/957499483.db2.gz CDWXNPZKPWUILJ-CHWSQXEVSA-N 2 0 287.423 1.513 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCCF ZINC001317604399 957593490 /nfs/dbraw/zinc/59/34/90/957593490.db2.gz VMQUJLNECUOSEO-AWEZNQCLSA-N 2 0 287.423 1.514 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)[NH2+]C(C)C ZINC001367113515 957684462 /nfs/dbraw/zinc/68/44/62/957684462.db2.gz JEPHSPUPEXASRU-HUUCEWRRSA-N 2 0 283.460 2.000 10 0 CDAERP O=C(NCCC1CC[NH+](CCF)CC1)C12CC[NH+](CC1)C2 ZINC001367215247 957847651 /nfs/dbraw/zinc/84/76/51/957847651.db2.gz TZZZBQOCXWCVLP-UHFFFAOYSA-N 2 0 297.418 1.270 10 0 CDAERP C[NH2+]C[C@H](C)CN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC001332876132 957907500 /nfs/dbraw/zinc/90/75/00/957907500.db2.gz CUSGWRNVXUMIAO-NWANDNLSSA-N 2 0 253.434 1.600 10 0 CDAERP CCC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001332899714 957925822 /nfs/dbraw/zinc/92/58/22/957925822.db2.gz QWUMRBKOURXYSM-STQMWFEESA-N 2 0 269.433 1.469 10 0 CDAERP C[C@H](C[NH2+]CC1CCCC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001367359900 957966474 /nfs/dbraw/zinc/96/64/74/957966474.db2.gz PHNPFHUATNXOBO-HIFRSBDPSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H](C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)n1ccnc1 ZINC001318211520 957974709 /nfs/dbraw/zinc/97/47/09/957974709.db2.gz ILMDRQBPAYQCMF-LLVKDONJSA-N 2 0 282.307 1.664 10 0 CDAERP C[C@H](C[N@H+](C)CCC1CCCC1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001367860076 958439856 /nfs/dbraw/zinc/43/98/56/958439856.db2.gz WLVQITFQFYYLPQ-GDBMZVCRSA-N 2 0 295.471 1.955 10 0 CDAERP O=C(NCC1([NH2+]CC2CC2)CC1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001368024797 958584719 /nfs/dbraw/zinc/58/47/19/958584719.db2.gz DCJPBKYUJCDATK-LSDHHAIUSA-N 2 0 291.439 1.652 10 0 CDAERP COCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001319608922 958652667 /nfs/dbraw/zinc/65/26/67/958652667.db2.gz LCDASMUNNWGHDZ-QLFBSQMISA-N 2 0 299.459 1.094 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CC)[NH2+]CC1CC1 ZINC001494988805 972366189 /nfs/dbraw/zinc/36/61/89/972366189.db2.gz MKSKPSGMRGZAKM-LSDHHAIUSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001319694516 958691254 /nfs/dbraw/zinc/69/12/54/958691254.db2.gz GSJKNUGNBDBLTQ-OLZOCXBDSA-N 2 0 255.406 1.173 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@]1(C)CC[NH+](CC[C@@H](C)F)C1 ZINC001368185762 958692882 /nfs/dbraw/zinc/69/28/82/958692882.db2.gz YMDXIYUVVZTLRE-HIFRSBDPSA-N 2 0 287.423 1.657 10 0 CDAERP CC[C@H](C(=O)NC[C@H]1C[N@H+](CC)CCC1(F)F)[NH+](C)C ZINC001368255976 958730937 /nfs/dbraw/zinc/73/09/37/958730937.db2.gz WXHDRZSYQKMETC-NWDGAFQWSA-N 2 0 291.386 1.420 10 0 CDAERP CC(C)[NH+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CC3)C2)CC1 ZINC001368418112 958827289 /nfs/dbraw/zinc/82/72/89/958827289.db2.gz DFEYZGJAEKWKTF-UHFFFAOYSA-N 2 0 293.455 1.661 10 0 CDAERP Cc1cncc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001371145928 972389906 /nfs/dbraw/zinc/38/99/06/972389906.db2.gz YJTIGIYVTDULMF-ZFWWWQNUSA-N 2 0 290.411 1.079 10 0 CDAERP CC[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]CCCF ZINC001495080991 972399518 /nfs/dbraw/zinc/39/95/18/972399518.db2.gz UWHZWJHAVFQHNR-AWEZNQCLSA-N 2 0 287.423 1.562 10 0 CDAERP C[C@@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]C/C=C/Cl ZINC001368743602 959097680 /nfs/dbraw/zinc/09/76/80/959097680.db2.gz NLWBICLXOXXMSI-QSLRECBCSA-N 2 0 285.819 1.319 10 0 CDAERP CCN(CC[NH2+]Cc1cncs1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001320694056 959334450 /nfs/dbraw/zinc/33/44/50/959334450.db2.gz ACLLWOWPBSWHHQ-ZDUSSCGKSA-N 2 0 296.440 1.175 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001369233863 959555553 /nfs/dbraw/zinc/55/55/53/959555553.db2.gz WQVBLBGUGAXHBV-ZBFHGGJFSA-N 2 0 295.471 1.811 10 0 CDAERP CC[C@@H](C(=O)NC1(C2CC[NH+](CC)CC2)CC1)[NH+](C)C ZINC001369582714 959774562 /nfs/dbraw/zinc/77/45/62/959774562.db2.gz GASXJRKKBRDAJT-AWEZNQCLSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@H](F)C[NH2+][C@@H](CNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001370169084 960015623 /nfs/dbraw/zinc/01/56/23/960015623.db2.gz PHZRCHHTRUNIBB-KBPBESRZSA-N 2 0 299.434 1.703 10 0 CDAERP CC(C)C[NH2+][C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001370257296 960032979 /nfs/dbraw/zinc/03/29/79/960032979.db2.gz QIIWNXBCSZHOEA-UKRRQHHQSA-N 2 0 281.444 1.469 10 0 CDAERP CO[C@@H](C)C[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001370904672 960230999 /nfs/dbraw/zinc/23/09/99/960230999.db2.gz BNOBAFFVKLLVQJ-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP COC[C@H](C)[NH2+]CCCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001322640598 960284749 /nfs/dbraw/zinc/28/47/49/960284749.db2.gz KDIPDVPEVZCFIG-AWEZNQCLSA-N 2 0 299.459 1.334 10 0 CDAERP CC[C@@H](C(=O)N(C)CCC[NH2+]Cc1cc(C)no1)[NH+](C)C ZINC001322700900 960299399 /nfs/dbraw/zinc/29/93/99/960299399.db2.gz QSNFBVDDWXADSU-AWEZNQCLSA-N 2 0 296.415 1.261 10 0 CDAERP CN(CCC[NH2+]CC1CC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001322793964 960325776 /nfs/dbraw/zinc/32/57/76/960325776.db2.gz ZGRJYBFONWXCQB-CQSZACIVSA-N 2 0 267.417 1.176 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@H](C[NH2+]CCCF)C2CC2)C1 ZINC001323095182 960447276 /nfs/dbraw/zinc/44/72/76/960447276.db2.gz WCBFIALOPRQENM-GXTWGEPZSA-N 2 0 285.407 1.172 10 0 CDAERP Cc1ncccc1C[NH2+][C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001371465446 972523401 /nfs/dbraw/zinc/52/34/01/972523401.db2.gz BLXKVSCPQRJZRI-ZDUSSCGKSA-N 2 0 290.411 1.080 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC001434117765 960998972 /nfs/dbraw/zinc/99/89/72/960998972.db2.gz BMEADFIRZZIXNR-XJFOESAGSA-N 2 0 281.444 1.704 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC2CCC(C)([NH+](C)C)CC2)C1 ZINC001434300547 961148260 /nfs/dbraw/zinc/14/82/60/961148260.db2.gz FLUMDIMJHRIDLM-HLIUYOAVSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001324222690 961242015 /nfs/dbraw/zinc/24/20/15/961242015.db2.gz RHHOEAGUJFXQQI-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccsc1 ZINC001419183047 961482919 /nfs/dbraw/zinc/48/29/19/961482919.db2.gz UVIJXBJYUVUOJE-KGLIPLIRSA-N 2 0 295.452 1.827 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@@H+](CCN2C[C@H]3C[NH+](C)C[C@@]3(C)C2)C1 ZINC001434492642 961532679 /nfs/dbraw/zinc/53/26/79/961532679.db2.gz NJQZSBPQESDINY-TWMKSMIVSA-N 2 0 279.472 1.848 10 0 CDAERP CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)[NH2+]CCF ZINC001419268009 961569519 /nfs/dbraw/zinc/56/95/19/961569519.db2.gz GTHIESRDOWFCRC-KBPBESRZSA-N 2 0 287.423 1.561 10 0 CDAERP CCC(CC)C[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001419369871 961636195 /nfs/dbraw/zinc/63/61/95/961636195.db2.gz RBCLJBQEDSOWFD-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CC1CCCC1 ZINC001436481568 962281556 /nfs/dbraw/zinc/28/15/56/962281556.db2.gz NWDZMUSEIUMEOJ-HIFRSBDPSA-N 2 0 281.444 1.707 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001436976442 962537578 /nfs/dbraw/zinc/53/75/78/962537578.db2.gz ILJHIZAACMHVAV-ILBVTBSISA-N 2 0 299.846 1.850 10 0 CDAERP CCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001437145000 962676640 /nfs/dbraw/zinc/67/66/40/962676640.db2.gz JUAMFRTXOAKCCF-HIFRSBDPSA-N 2 0 281.444 1.898 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1ccc(F)cn1)[NH+](C)C ZINC001420306077 962712314 /nfs/dbraw/zinc/71/23/14/962712314.db2.gz FZILMZUGYMYKNN-BXUZGUMPSA-N 2 0 296.390 1.155 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC1CC1 ZINC001437427532 962877413 /nfs/dbraw/zinc/87/74/13/962877413.db2.gz KWTOCAPDWQLENV-HIFRSBDPSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H](CNC(=O)CN1CC=CCC1)[N@H+]1CC=CCC1 ZINC001340762634 963111218 /nfs/dbraw/zinc/11/12/18/963111218.db2.gz SJDATCWCILDGGT-CQSZACIVSA-N 2 0 263.385 1.015 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)CC(C)C ZINC001420688060 963179288 /nfs/dbraw/zinc/17/92/88/963179288.db2.gz XUZPVWQHVUMWDN-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C1CC1 ZINC001420748338 963219740 /nfs/dbraw/zinc/21/97/40/963219740.db2.gz JSBLVIMEHLGFHG-CABCVRRESA-N 2 0 281.444 1.611 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]CC1CCCC1 ZINC001438554058 963484082 /nfs/dbraw/zinc/48/40/82/963484082.db2.gz YWBDVYPLSVJZQD-UKRRQHHQSA-N 2 0 281.444 1.470 10 0 CDAERP CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)C[NH+]2CCCC2)C1 ZINC001421356919 963567032 /nfs/dbraw/zinc/56/70/32/963567032.db2.gz FMTWHNGQUSIQBD-OAHLLOKOSA-N 2 0 281.444 1.805 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001439126168 963647908 /nfs/dbraw/zinc/64/79/08/963647908.db2.gz UKBIZKGCAYZWET-CHWSQXEVSA-N 2 0 285.407 1.457 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1cnc(C)s1)[NH+](C)C ZINC001439257016 963691753 /nfs/dbraw/zinc/69/17/53/963691753.db2.gz ZUDDAGGINXOENB-GWCFXTLKSA-N 2 0 298.456 1.386 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]CC1CC(C)(C)C1 ZINC001439284386 963698455 /nfs/dbraw/zinc/69/84/55/963698455.db2.gz HWKLVDMVXGEKSZ-ZDUSSCGKSA-N 2 0 283.460 1.857 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccsc1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001439283482 963698578 /nfs/dbraw/zinc/69/85/78/963698578.db2.gz SHFWRDLSFYFKFR-AAEUAGOBSA-N 2 0 281.425 1.294 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]C/C=C/Cl)CC2)CC[N@@H+]1C ZINC001439610110 963821229 /nfs/dbraw/zinc/82/12/29/963821229.db2.gz ZKFDOHBNKNGSDP-JDRGJFMNSA-N 2 0 299.846 1.708 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001440257596 963959842 /nfs/dbraw/zinc/95/98/42/963959842.db2.gz WJWJXCIGFWETBX-HUUCEWRRSA-N 2 0 295.471 1.907 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCF)[C@@H](C)C1 ZINC001440654156 964127680 /nfs/dbraw/zinc/12/76/80/964127680.db2.gz TWIRHHHTHJBYDA-QWHCGFSZSA-N 2 0 273.396 1.265 10 0 CDAERP C[C@@H](NC(=O)C12CCC[NH+]1CCC2)[C@H](C)[NH2+]CC1CC1 ZINC001440801007 964187961 /nfs/dbraw/zinc/18/79/61/964187961.db2.gz DQLUOOFLTWKOEB-QWHCGFSZSA-N 2 0 279.428 1.508 10 0 CDAERP C[C@@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)[C@@H](C)[NH2+]CCO ZINC001440799398 964188800 /nfs/dbraw/zinc/18/88/00/964188800.db2.gz BWGUDQQPYGEABP-CHWSQXEVSA-N 2 0 299.459 1.115 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001441415774 964504350 /nfs/dbraw/zinc/50/43/50/964504350.db2.gz NUJQUJGFEZFSOC-XUXIUFHCSA-N 2 0 285.407 1.313 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]C/C=C/Cl)[C@H]1C ZINC001441830482 964736478 /nfs/dbraw/zinc/73/64/78/964736478.db2.gz XNJVNZVDDLSYCU-JOVKLMRISA-N 2 0 287.835 1.658 10 0 CDAERP CC[C@H](F)C[NH2+][C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001441844069 964746768 /nfs/dbraw/zinc/74/67/68/964746768.db2.gz QLWJSASRXPNGJN-NEPJUHHUSA-N 2 0 273.396 1.313 10 0 CDAERP C[C@@H](c1ccc(F)cc1)[N@H+](C)CCNC(=O)CC[NH+](C)C ZINC001442503770 965091928 /nfs/dbraw/zinc/09/19/28/965091928.db2.gz PAHDHMSCLBPCRK-ZDUSSCGKSA-N 2 0 295.402 1.886 10 0 CDAERP C[C@H](F)CC[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001443335996 965445924 /nfs/dbraw/zinc/44/59/24/965445924.db2.gz PNTSQLDIVZRKAH-UONOGXRCSA-N 2 0 287.423 1.467 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001444247962 965767492 /nfs/dbraw/zinc/76/74/92/965767492.db2.gz UWFRQMSAFQJOKQ-JKSUJKDBSA-N 2 0 295.471 1.909 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)CCc1ccc(F)cc1F ZINC001348447143 965998147 /nfs/dbraw/zinc/99/81/47/965998147.db2.gz NMHWVJWTAMRFKE-UHFFFAOYSA-N 2 0 272.339 1.675 10 0 CDAERP CC1(CNC(=O)[C@H]2CCCC[C@@H]2[NH3+])CC[NH2+]CC1 ZINC001349398086 966335731 /nfs/dbraw/zinc/33/57/31/966335731.db2.gz DPLMRNYHHOJUEW-RYUDHWBXSA-N 2 0 253.390 1.010 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001446439393 966543789 /nfs/dbraw/zinc/54/37/89/966543789.db2.gz HHRIPDRPEKHUCH-HOTGVXAUSA-N 2 0 293.455 1.565 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001446552530 966579993 /nfs/dbraw/zinc/57/99/93/966579993.db2.gz CCAMSDMHFACWBO-OCCSQVGLSA-N 2 0 273.396 1.267 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001447762511 966865952 /nfs/dbraw/zinc/86/59/52/966865952.db2.gz WGLSQPSGJNAIIS-HZPDHXFCSA-N 2 0 293.455 1.661 10 0 CDAERP C[N@H+](C/C=C\Cl)C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001447767384 966867432 /nfs/dbraw/zinc/86/74/32/966867432.db2.gz IJYZNTHYMCWXOO-VSKVDJIOSA-N 2 0 299.846 1.758 10 0 CDAERP C[C@@H]([NH2+]CC1CCC1)[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001447867225 966909465 /nfs/dbraw/zinc/90/94/65/966909465.db2.gz MSTOYEPHVLGPIO-OLZOCXBDSA-N 2 0 281.444 1.754 10 0 CDAERP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]CC1CCCC1 ZINC001448785162 967254760 /nfs/dbraw/zinc/25/47/60/967254760.db2.gz NFZYFEHRWHJQLW-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C[NH2+]CC2CC2)C1 ZINC001480307887 967358917 /nfs/dbraw/zinc/35/89/17/967358917.db2.gz XEHUHNLBNLDLDF-HNNXBMFYSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C1CC[NH+](CCF)CC1)[NH+](C)C ZINC001449364970 967443676 /nfs/dbraw/zinc/44/36/76/967443676.db2.gz BJUNWAWLWOHHSV-GXTWGEPZSA-N 2 0 287.423 1.513 10 0 CDAERP C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CCF)CC1 ZINC001449374087 967446696 /nfs/dbraw/zinc/44/66/96/967446696.db2.gz PQYINXULQAKQOM-KBPBESRZSA-N 2 0 299.434 1.514 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC001450262060 967664938 /nfs/dbraw/zinc/66/49/38/967664938.db2.gz NRJMANHKTVIQDB-AGIUHOORSA-N 2 0 255.406 1.125 10 0 CDAERP O=C(CCCC[NH+]1CCCC1)NC[C@H]1C[NH+]2CCC1CC2 ZINC001456759853 969042201 /nfs/dbraw/zinc/04/22/01/969042201.db2.gz NMZFEBIFXQSCFB-INIZCTEOSA-N 2 0 293.455 1.711 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC001464196722 969776087 /nfs/dbraw/zinc/77/60/87/969776087.db2.gz KAKTUENHMOPZJL-KFWWJZLASA-N 2 0 283.460 1.953 10 0 CDAERP COCCN(CC[NH+](C)C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001464996109 969837582 /nfs/dbraw/zinc/83/75/82/969837582.db2.gz RYFBCPYXNNSEOR-CABCVRRESA-N 2 0 299.459 1.143 10 0 CDAERP CC[C@H](C[NH+](C)C)OC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001516657168 969946743 /nfs/dbraw/zinc/94/67/43/969946743.db2.gz NZHXIGUZXYJLKK-CHWSQXEVSA-N 2 0 256.390 1.743 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC001466489688 969962204 /nfs/dbraw/zinc/96/22/04/969962204.db2.gz QVVRMQDVLTZEEV-FRRDWIJNSA-N 2 0 255.406 1.125 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001361935637 970692112 /nfs/dbraw/zinc/69/21/12/970692112.db2.gz HSZLWPOSYKMWRT-AWEZNQCLSA-N 2 0 283.460 1.907 10 0 CDAERP CC(C)[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001496432844 972920614 /nfs/dbraw/zinc/92/06/14/972920614.db2.gz ZYQKPZNMBYHOHF-CABCVRRESA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@H]([NH2+]CCF)C(C)C)CC[N@@H+]1C ZINC001496560052 972971069 /nfs/dbraw/zinc/97/10/69/972971069.db2.gz AVDPLOTYXDSCLV-MELADBBJSA-N 2 0 287.423 1.417 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@H]1CCC[N@@H+]1CC1CCCC1 ZINC001372562151 973021118 /nfs/dbraw/zinc/02/11/18/973021118.db2.gz BMIZVNXZDLXRET-MRXNPFEDSA-N 2 0 293.455 1.853 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CCC[NH+]2CCC2CC2)C1 ZINC001372569103 973023329 /nfs/dbraw/zinc/02/33/29/973023329.db2.gz MXFYOZJAZNYNAH-JKSUJKDBSA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)[N@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)C1CC1 ZINC001372905415 973192498 /nfs/dbraw/zinc/19/24/98/973192498.db2.gz MBYBXZANAMFUDH-ZIAGYGMSSA-N 2 0 281.444 1.848 10 0 CDAERP C[C@H](CC[NH2+]Cc1nccs1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001497324322 973288507 /nfs/dbraw/zinc/28/85/07/973288507.db2.gz UMGFZQAITZINPJ-VXGBXAGGSA-N 2 0 296.440 1.079 10 0 CDAERP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001417796624 973390636 /nfs/dbraw/zinc/39/06/36/973390636.db2.gz XUQOWOUQLWGMMS-RBSFLKMASA-N 2 0 283.460 1.952 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]([NH2+]CC1CC1)C1CC1 ZINC001417985920 973513133 /nfs/dbraw/zinc/51/31/33/973513133.db2.gz LHMSQVYYIZGOOE-CVEARBPZSA-N 2 0 293.455 1.755 10 0 CDAERP C[C@H](C[NH2+]CC1=CCCCC1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001497909833 973574114 /nfs/dbraw/zinc/57/41/14/973574114.db2.gz DJTBKWZTNFOTGP-LSDHHAIUSA-N 2 0 293.455 1.923 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC[C@H]2CCCO2)C1 ZINC001418109193 973591080 /nfs/dbraw/zinc/59/10/80/973591080.db2.gz PJJCIQJWYTUYJM-QLFBSQMISA-N 2 0 297.443 1.134 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)COC)C1 ZINC001418115047 973595063 /nfs/dbraw/zinc/59/50/63/973595063.db2.gz YEFLPGCUIAUITK-APIJFGDWSA-N 2 0 297.443 1.133 10 0 CDAERP CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001418138282 973605798 /nfs/dbraw/zinc/60/57/98/973605798.db2.gz IOCMSZPCWGYWRE-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H](C[NH2+]CC1CC(F)(F)C1)NC(=O)CC[NH+](C)C ZINC001498105859 973684060 /nfs/dbraw/zinc/68/40/60/973684060.db2.gz PSZIIDDGXWHGIP-JTQLQIEISA-N 2 0 277.359 1.078 10 0 CDAERP Cc1ccccc1C[NH2+]C[C@H](C)CNC(=O)CC[NH+](C)C ZINC001374075861 973767344 /nfs/dbraw/zinc/76/73/44/973767344.db2.gz QSQOLUKUGUOKOC-AWEZNQCLSA-N 2 0 291.439 1.789 10 0 CDAERP Cc1csc(C[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+](C)C)n1 ZINC001374277801 973872930 /nfs/dbraw/zinc/87/29/30/973872930.db2.gz QXEXNVBUNDLKNC-GFCCVEGCSA-N 2 0 298.456 1.340 10 0 CDAERP C[C@H](C(=O)N[C@H](C[NH2+]CCF)C1CC1)[NH+]1CCCCCC1 ZINC001498832893 974072761 /nfs/dbraw/zinc/07/27/61/974072761.db2.gz QIQXAVURTULDMV-UKRRQHHQSA-N 2 0 299.434 1.705 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001374981711 974199724 /nfs/dbraw/zinc/19/97/24/974199724.db2.gz JLPICXAJGAJGPC-UONOGXRCSA-N 2 0 287.423 1.705 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1([NH2+]CCF)CC1 ZINC001499254287 974223425 /nfs/dbraw/zinc/22/34/25/974223425.db2.gz MFVUCKCZOYTWKS-GFCCVEGCSA-N 2 0 271.380 1.069 10 0 CDAERP CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001499573604 974268768 /nfs/dbraw/zinc/26/87/68/974268768.db2.gz FVOMNZXFFQXWAD-MRXNPFEDSA-N 2 0 281.444 1.663 10 0 CDAERP CCCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CN(C)CCO1 ZINC001499884380 974323563 /nfs/dbraw/zinc/32/35/63/974323563.db2.gz WYFYOVZNZVUTEI-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CCCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CN(C)CCO1 ZINC001499884379 974324503 /nfs/dbraw/zinc/32/45/03/974324503.db2.gz WYFYOVZNZVUTEI-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001375375997 974358505 /nfs/dbraw/zinc/35/85/05/974358505.db2.gz PUSGVOQYSLTLTM-HZPDHXFCSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC2)C1 ZINC001375512295 974409452 /nfs/dbraw/zinc/40/94/52/974409452.db2.gz BBMQSTYLFLUXTP-XOUADPBQSA-N 2 0 293.455 1.754 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001376068371 974551133 /nfs/dbraw/zinc/55/11/33/974551133.db2.gz GHVJDUJAICTGFZ-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CCF)C1 ZINC001501649878 974617976 /nfs/dbraw/zinc/61/79/76/974617976.db2.gz AMAPFAOILRRNIU-GJZGRUSLSA-N 2 0 299.434 1.659 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CCC[NH+](CCF)C1 ZINC001376511268 974678266 /nfs/dbraw/zinc/67/82/66/974678266.db2.gz PSHJWTIEUXZPTP-HUUCEWRRSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]2C[NH+](CCCF)C[C@H]21 ZINC001376529107 974681950 /nfs/dbraw/zinc/68/19/50/974681950.db2.gz ILYCODREBHFOJV-LSDHHAIUSA-N 2 0 299.434 1.609 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001376609526 974695567 /nfs/dbraw/zinc/69/55/67/974695567.db2.gz KYJHLOKACLXPGA-GJZGRUSLSA-N 2 0 299.434 1.801 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC1CC2(CCC2)C1 ZINC001376787194 974768055 /nfs/dbraw/zinc/76/80/55/974768055.db2.gz UKIATYNLMQDYIZ-DZGCQCFKSA-N 2 0 293.455 1.755 10 0 CDAERP CC[C@H](F)C[NH2+]C1(CNC(=O)[C@H](CC)[NH+](C)C)CCC1 ZINC001376808136 974777409 /nfs/dbraw/zinc/77/74/09/974777409.db2.gz GRPHWWISBWJLKO-STQMWFEESA-N 2 0 287.423 1.703 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H]([N@H+](C)C/C=C\Cl)C1 ZINC001376981740 974838505 /nfs/dbraw/zinc/83/85/05/974838505.db2.gz RNIBGHRTQJUVEP-UJZCVKTISA-N 2 0 287.835 1.613 10 0 CDAERP CC(C)C[NH2+][C@H](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001377019478 974855744 /nfs/dbraw/zinc/85/57/44/974855744.db2.gz AFZYRICVJOYNCZ-UKRRQHHQSA-N 2 0 281.444 1.469 10 0 CDAERP CC(C)[NH2+][C@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001505686987 974963443 /nfs/dbraw/zinc/96/34/43/974963443.db2.gz XMVOHIKDEWTKBJ-NEPJUHHUSA-N 2 0 255.406 1.219 10 0 CDAERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]Cc1ccns1 ZINC001505754389 974981987 /nfs/dbraw/zinc/98/19/87/974981987.db2.gz RTGQYDZCDVLEJQ-NWDGAFQWSA-N 2 0 296.440 1.222 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)[N@H+](C)CCCF)[NH+](C)C ZINC001505943668 975053518 /nfs/dbraw/zinc/05/35/18/975053518.db2.gz MBAAXXXDGJWAPF-NWDGAFQWSA-N 2 0 261.385 1.123 10 0 CDAERP COCC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001377547287 975071464 /nfs/dbraw/zinc/07/14/64/975071464.db2.gz VKPXNGLKUFDARZ-UHFFFAOYSA-N 2 0 297.443 1.088 10 0 CDAERP C[NH+](C)CCC(=O)NCC[N@H+](CCC(C)(C)C)C1CC1 ZINC001377545460 975071667 /nfs/dbraw/zinc/07/16/67/975071667.db2.gz HMJYQMNEGGQICG-UHFFFAOYSA-N 2 0 283.460 1.955 10 0 CDAERP C[N@H+](CCCF)C[C@H]1CCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001377683761 975111167 /nfs/dbraw/zinc/11/11/67/975111167.db2.gz JHSASEPPWDYNLI-HUUCEWRRSA-N 2 0 299.434 1.611 10 0 CDAERP CC(C)C[NH+]1CC([C@H](C)NC(=O)CCCC[NH+](C)C)C1 ZINC001506662865 975199332 /nfs/dbraw/zinc/19/93/32/975199332.db2.gz HICLVOSJDQPZDC-AWEZNQCLSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001378040604 975215996 /nfs/dbraw/zinc/21/59/96/975215996.db2.gz IVURPDQEZNBFNM-GDBMZVCRSA-N 2 0 295.471 1.811 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC([N@H+](C)CC2CCC2)CC1 ZINC001506962283 975276610 /nfs/dbraw/zinc/27/66/10/975276610.db2.gz XAALMWYJDWZELA-UHFFFAOYSA-N 2 0 281.444 1.661 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C[NH2+]CC1CC1)C1CC1 ZINC001507034502 975301537 /nfs/dbraw/zinc/30/15/37/975301537.db2.gz FFMSYHSKUXUMNL-OAHLLOKOSA-N 2 0 281.444 1.563 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cncs1 ZINC001378341277 975334460 /nfs/dbraw/zinc/33/44/60/975334460.db2.gz LXDAFMXIHMGBAK-NEPJUHHUSA-N 2 0 296.440 1.079 10 0 CDAERP C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1C[NH+](CCCF)C1 ZINC001378533894 975380289 /nfs/dbraw/zinc/38/02/89/975380289.db2.gz BGRGDQAMYFHNFL-OLZOCXBDSA-N 2 0 285.407 1.124 10 0 CDAERP CC(C)C[NH2+]C[C@](C)(NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001401023440 975437303 /nfs/dbraw/zinc/43/73/03/975437303.db2.gz KDJUCQWULJUARO-PBHICJAKSA-N 2 0 295.471 1.859 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001397081375 975455856 /nfs/dbraw/zinc/45/58/56/975455856.db2.gz PGFYRRWPZUDSRS-BYNSBNAKSA-N 2 0 299.434 1.561 10 0 CDAERP O=C(NC[C@H]1C[C@@H]([NH2+]C/C=C/Cl)C1)C12CC[NH+](CC1)C2 ZINC001397094549 975459637 /nfs/dbraw/zinc/45/96/37/975459637.db2.gz HSZLAURVOMNQIG-VRNIZTMPSA-N 2 0 297.830 1.319 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001397093135 975459962 /nfs/dbraw/zinc/45/99/62/975459962.db2.gz AZOXGGRANNUQIG-MCIONIFRSA-N 2 0 285.407 1.315 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH2+]CC1CC(C)(C)C1 ZINC001401108858 975467884 /nfs/dbraw/zinc/46/78/84/975467884.db2.gz XSXPCHIPHDMVSE-HIFRSBDPSA-N 2 0 295.471 1.859 10 0 CDAERP CCC[N@@H+]1CCC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001404725229 975469859 /nfs/dbraw/zinc/46/98/59/975469859.db2.gz XBOXENMLAVPYGX-GJZGRUSLSA-N 2 0 281.444 1.851 10 0 CDAERP CCCC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC1(C)C ZINC001507443335 975473133 /nfs/dbraw/zinc/47/31/33/975473133.db2.gz OMOBPPQNETYSIX-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@H]1C[C@H]([NH2+]C/C=C\Cl)C1 ZINC001397145417 975476563 /nfs/dbraw/zinc/47/65/63/975476563.db2.gz JXVWJCVOZKWERN-YSEVBGJFSA-N 2 0 285.819 1.319 10 0 CDAERP Cc1noc(C)c1C[NH2+]C[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001401128204 975476475 /nfs/dbraw/zinc/47/64/75/975476475.db2.gz OVOUCTFNFMTJQM-LLVKDONJSA-N 2 0 296.415 1.085 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001388736810 975575413 /nfs/dbraw/zinc/57/54/13/975575413.db2.gz RXLZKWXRYVUVOA-FZKCQIBNSA-N 2 0 295.471 1.859 10 0 CDAERP CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001379018255 975598747 /nfs/dbraw/zinc/59/87/47/975598747.db2.gz DWRWHPNDIMOWKU-CABCVRRESA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@H]21 ZINC001401460078 975671169 /nfs/dbraw/zinc/67/11/69/975671169.db2.gz CQLWCMHZMRUFES-JKSUJKDBSA-N 2 0 295.471 1.905 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]C/C=C\Cl ZINC001379130639 975682174 /nfs/dbraw/zinc/68/21/74/975682174.db2.gz LCZXVTRGQQQYCD-AXSLOVRESA-N 2 0 287.835 1.516 10 0 CDAERP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ncccc1C ZINC001405300045 975707446 /nfs/dbraw/zinc/70/74/46/975707446.db2.gz WYCUEYYCNMEMAH-AWEZNQCLSA-N 2 0 292.427 1.326 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001401693872 975803745 /nfs/dbraw/zinc/80/37/45/975803745.db2.gz UKBIZKGCAYZWET-QWHCGFSZSA-N 2 0 285.407 1.457 10 0 CDAERP C[C@H](C[NH2+]CC1CC1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001379383824 975812309 /nfs/dbraw/zinc/81/23/09/975812309.db2.gz QQBZEVIGOXBIBD-CJNGLKHVSA-N 2 0 293.455 1.898 10 0 CDAERP C[C@H](C[NH2+]CC1CCC1)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001379459339 975851511 /nfs/dbraw/zinc/85/15/11/975851511.db2.gz JLTWIHDGXHBVMH-CJNGLKHVSA-N 2 0 279.428 1.367 10 0 CDAERP C[C@H](C[NH2+]C[C@H]1CC(C)(C)CO1)N(C)C(=O)CC[NH+](C)C ZINC001405845694 975905068 /nfs/dbraw/zinc/90/50/68/975905068.db2.gz BVJSHVRLTIWGPV-ZIAGYGMSSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)C[C@H](C[NH2+]C(C)C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001405937795 975942838 /nfs/dbraw/zinc/94/28/38/975942838.db2.gz RUWOPZWPRQORGR-LSDHHAIUSA-N 2 0 283.460 1.857 10 0 CDAERP C[C@@H](C[N@H+](C)CCC1CC1)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001379733671 976040937 /nfs/dbraw/zinc/04/09/37/976040937.db2.gz OXCWZLSTSNWGNT-ZFWWWQNUSA-N 2 0 281.444 1.707 10 0 CDAERP CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001401980029 976054925 /nfs/dbraw/zinc/05/49/25/976054925.db2.gz VDWFYKGYHUAFDF-ZIAGYGMSSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@H](F)C[NH2+]C1(CNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001401978542 976055854 /nfs/dbraw/zinc/05/58/54/976055854.db2.gz ZQLXWTKSDQGFIH-RYUDHWBXSA-N 2 0 273.396 1.313 10 0 CDAERP CC(C)CC[NH+]1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001402048161 976095830 /nfs/dbraw/zinc/09/58/30/976095830.db2.gz WEMBODZODUSVMY-UHFFFAOYSA-N 2 0 283.460 1.907 10 0 CDAERP C[C@@H](F)CC[NH+]1CCC(C)(NC(=O)CC[NH+](C)C)CC1 ZINC001402075446 976111288 /nfs/dbraw/zinc/11/12/88/976111288.db2.gz FMBZCVGPQSDUAQ-CYBMUJFWSA-N 2 0 287.423 1.657 10 0 CDAERP COC[C@H](C)[NH2+]C[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001390112102 976123063 /nfs/dbraw/zinc/12/30/63/976123063.db2.gz WHFGAMPUKHHIHB-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@@]1(C)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001402187081 976168405 /nfs/dbraw/zinc/16/84/05/976168405.db2.gz FNDGZOCZXWSXQG-GOEBONIOSA-N 2 0 299.434 1.659 10 0 CDAERP C[C@H](NC(=O)CC[NH+](C)C)C1CC[NH+](CC2CC2)CC1 ZINC001380146200 976260876 /nfs/dbraw/zinc/26/08/76/976260876.db2.gz XFHHOFGOEIPCDD-ZDUSSCGKSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@@H](C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C)OC ZINC001402401904 976271133 /nfs/dbraw/zinc/27/11/33/976271133.db2.gz QSILJOYVRBSINS-ZNMIVQPWSA-N 2 0 297.443 1.038 10 0 CDAERP Cc1oncc1C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001390403364 976279953 /nfs/dbraw/zinc/27/99/53/976279953.db2.gz XBJGIGLLGADFOZ-FZMZJTMJSA-N 2 0 294.399 1.062 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001402660834 976428477 /nfs/dbraw/zinc/42/84/77/976428477.db2.gz KVTKOVFLGSQXFV-CABCVRRESA-N 2 0 283.460 1.765 10 0 CDAERP CC[C@H](C(=O)NCC[C@H](C)[NH2+]C/C=C\Cl)[NH+](C)C ZINC001390674300 976431513 /nfs/dbraw/zinc/43/15/13/976431513.db2.gz XMSWQUDLEBIBMP-CNNCQTGTSA-N 2 0 275.824 1.564 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001402785169 976481084 /nfs/dbraw/zinc/48/10/84/976481084.db2.gz YGOYJRZZVNNZJD-UONOGXRCSA-N 2 0 299.434 1.657 10 0 CDAERP C[C@@H](F)CC[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001406957854 976493208 /nfs/dbraw/zinc/49/32/08/976493208.db2.gz MFGZAZHJFYXCCW-QWHCGFSZSA-N 2 0 285.407 1.315 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001407021585 976515364 /nfs/dbraw/zinc/51/53/64/976515364.db2.gz AAHDGVIOVPGFTR-GOEBONIOSA-N 2 0 299.434 1.611 10 0 CDAERP CCC[N@H+](C)CC(=O)NCC[NH+](C)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001390851648 976558464 /nfs/dbraw/zinc/55/84/64/976558464.db2.gz ZCLJEPCEZCUYED-OAGGEKHMSA-N 2 0 295.471 1.812 10 0 CDAERP CC[C@H](C[N@@H+]1CC[C@@](C)(NC(=O)C[NH+](C)C(C)C)C1)OC ZINC001407205990 976601597 /nfs/dbraw/zinc/60/15/97/976601597.db2.gz JYPDDDSIVZPDEI-GDBMZVCRSA-N 2 0 299.459 1.332 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]C/C=C\Cl ZINC001402997867 976651572 /nfs/dbraw/zinc/65/15/72/976651572.db2.gz FIGSTQLFUREBCB-UXFRKABBSA-N 2 0 275.824 1.564 10 0 CDAERP CC[NH+](CC)CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001399728559 976661634 /nfs/dbraw/zinc/66/16/34/976661634.db2.gz FSRMWQUTLYBVNI-UHFFFAOYSA-N 2 0 287.367 1.339 10 0 CDAERP CC(C)CC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001381101210 976673385 /nfs/dbraw/zinc/67/33/85/976673385.db2.gz INAFQMKKWHFCAG-LSDHHAIUSA-N 2 0 295.471 1.811 10 0 CDAERP C[C@@H]([NH2+]CCC(F)(F)F)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001403039964 976673639 /nfs/dbraw/zinc/67/36/39/976673639.db2.gz JZTXSTAJQUIOSQ-MNOVXSKESA-N 2 0 297.365 1.763 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CCC2CC2)[C@@H](C)C1 ZINC001381123328 976682847 /nfs/dbraw/zinc/68/28/47/976682847.db2.gz LNHUVDGNTLKJFW-ZFWWWQNUSA-N 2 0 281.444 1.565 10 0 CDAERP CCCC[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001391097289 976691799 /nfs/dbraw/zinc/69/17/99/976691799.db2.gz AQHCOOAIMIRDCL-HUUCEWRRSA-N 2 0 281.444 1.566 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001403076446 976695606 /nfs/dbraw/zinc/69/56/06/976695606.db2.gz VROKAOLTDBSWKR-ZIAGYGMSSA-N 2 0 299.459 1.238 10 0 CDAERP C[C@H]([NH2+]CCCF)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001569820122 1170005734 /nfs/dbraw/zinc/00/57/34/1170005734.db2.gz PYZPFRMMWNLTMC-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)[C@H](CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCF ZINC001403236575 976830158 /nfs/dbraw/zinc/83/01/58/976830158.db2.gz HHTNQQQCCWNRMV-KBPBESRZSA-N 2 0 287.423 1.513 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)Cc1ccsc1 ZINC001381502836 976871731 /nfs/dbraw/zinc/87/17/31/976871731.db2.gz QUKZPTNHBOJBTG-OCCSQVGLSA-N 2 0 295.452 1.779 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H](C)C1C[NH+](CC[C@H](C)F)C1 ZINC001403328897 976883361 /nfs/dbraw/zinc/88/33/61/976883361.db2.gz NPVHZHMCCHVQSJ-QWHCGFSZSA-N 2 0 287.423 1.513 10 0 CDAERP CC[C@H](C)C[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001381867617 977060157 /nfs/dbraw/zinc/06/01/57/977060157.db2.gz CVHCERDEOHYEBR-KBPBESRZSA-N 2 0 283.460 1.811 10 0 CDAERP CO[C@@H](C)C[N@@H+]1C[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001381868360 977061597 /nfs/dbraw/zinc/06/15/97/977061597.db2.gz FMJUWFOWCNFEQM-KBPBESRZSA-N 2 0 299.459 1.190 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N(C)C[C@@H](C)[NH2+]C(C)C ZINC001403558517 977063719 /nfs/dbraw/zinc/06/37/19/977063719.db2.gz RLEGQPXJLUNPNP-CHWSQXEVSA-N 2 0 275.412 1.511 10 0 CDAERP CC(C)[NH2+]CCC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001391813817 977105525 /nfs/dbraw/zinc/10/55/25/977105525.db2.gz GBIWQCLJIYZOJK-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]21 ZINC001403775146 977184292 /nfs/dbraw/zinc/18/42/92/977184292.db2.gz WEADZVMMMHLLIX-BZUAXINKSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC1CCCC1 ZINC001400833535 977217930 /nfs/dbraw/zinc/21/79/30/977217930.db2.gz RMMAPIDVILQPEM-HUUCEWRRSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC1CCC1 ZINC001392251221 977280741 /nfs/dbraw/zinc/28/07/41/977280741.db2.gz UPQUJZQCLCUTHZ-HZPDHXFCSA-N 2 0 295.471 1.859 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCN(C)C(=O)CCn1ccnc1 ZINC001392292083 977388770 /nfs/dbraw/zinc/38/87/70/977388770.db2.gz DYUVVTKUWZRABN-AWEZNQCLSA-N 2 0 280.416 1.710 10 0 CDAERP CN(CC[N@H+](C)CC1CC(C)(C)C1)C(=O)CC[NH+](C)C ZINC001392306784 977399481 /nfs/dbraw/zinc/39/94/81/977399481.db2.gz ZCPNJRRIMPFSDI-UHFFFAOYSA-N 2 0 283.460 1.765 10 0 CDAERP CC[C@H](F)C[N@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001392692341 977551142 /nfs/dbraw/zinc/55/11/42/977551142.db2.gz ZPUZUVRQZXBXJQ-OCCSQVGLSA-N 2 0 287.423 1.513 10 0 CDAERP CCC(CC)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001392732110 977577417 /nfs/dbraw/zinc/57/74/17/977577417.db2.gz YXKAJMHNSKDNGC-HIFRSBDPSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1CC1CC(C)(C)C1 ZINC001392870337 977631083 /nfs/dbraw/zinc/63/10/83/977631083.db2.gz CILBXBOJPNCVDT-OAHLLOKOSA-N 2 0 295.471 1.953 10 0 CDAERP COCC[NH+]1CCC(C)(CNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001393187718 977727445 /nfs/dbraw/zinc/72/74/45/977727445.db2.gz SNDBKAZFERJKOX-UHFFFAOYSA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@H](C(=O)NC[C@]1(C)CCC[N@H+](CC2CC2)C1)[NH+](C)C ZINC001393210284 977731675 /nfs/dbraw/zinc/73/16/75/977731675.db2.gz WLPCNIKKUOXCIN-WBVHZDCISA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)CCC(C)(C)C ZINC001394102587 978067630 /nfs/dbraw/zinc/06/76/30/978067630.db2.gz SUQLBTFDNJYNCZ-ZIAGYGMSSA-N 2 0 283.460 1.953 10 0 CDAERP CC[NH2+]CC1(NC(=O)C23CC[NH+](CC2)C3)CCCCC1 ZINC001394193133 978100298 /nfs/dbraw/zinc/10/02/98/978100298.db2.gz GPKHJWQHDKXPMO-UHFFFAOYSA-N 2 0 279.428 1.511 10 0 CDAERP CCC[NH+]1CC([C@H](C)NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001394224916 978111719 /nfs/dbraw/zinc/11/17/19/978111719.db2.gz OUEQCTBHAQBBHM-GXTWGEPZSA-N 2 0 287.423 1.513 10 0 CDAERP CC(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001394356328 978139960 /nfs/dbraw/zinc/13/99/60/978139960.db2.gz GKVHQEUMUJCQAS-JYJNAYRXSA-N 2 0 295.471 2.000 10 0 CDAERP CCCC[NH2+][C@@H](C)[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001674747659 1174003106 /nfs/dbraw/zinc/00/31/06/1174003106.db2.gz JMNKKXJBTAKLGZ-KBPBESRZSA-N 2 0 299.459 1.380 10 0 CDAERP CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001676487212 1174232309 /nfs/dbraw/zinc/23/23/09/1174232309.db2.gz AHBFJQNVQWPCSL-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP CCOCC[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001676815776 1174276648 /nfs/dbraw/zinc/27/66/48/1174276648.db2.gz NZVQHOFOQNUWHE-HOCLYGCPSA-N 2 0 297.443 1.088 10 0 CDAERP CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001570886690 1170308519 /nfs/dbraw/zinc/30/85/19/1170308519.db2.gz NHYFGKICRWHVER-INIZCTEOSA-N 2 0 297.443 1.042 10 0 CDAERP C[C@H](CCC[NH2+]CCC1CC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001571324942 1170366301 /nfs/dbraw/zinc/36/63/01/1170366301.db2.gz QQFJQMFVUXEUBO-UKRRQHHQSA-N 2 0 281.444 1.613 10 0 CDAERP COCC[NH2+]C1CC(N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001571665747 1170515363 /nfs/dbraw/zinc/51/53/63/1170515363.db2.gz JEDJGPCLOZSWEB-UHFFFAOYSA-N 2 0 297.443 1.088 10 0 CDAERP C[NH+](C)CCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000122455411 282085420 /nfs/dbraw/zinc/08/54/20/282085420.db2.gz JCTYEYNPVUVIOW-ZNMIVQPWSA-N 2 0 254.418 1.954 10 0 CDAERP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000650757891 398181047 /nfs/dbraw/zinc/18/10/47/398181047.db2.gz DDZCVQILAOXTKT-AWEZNQCLSA-N 2 0 282.409 1.073 10 0 CDAERP c1c[nH]c([C@@H]2CCC[N@@H+](CCOC3CCOCC3)C2)n1 ZINC000625251632 342050433 /nfs/dbraw/zinc/05/04/33/342050433.db2.gz FEZRNMWDMZNIOD-CYBMUJFWSA-N 2 0 279.384 1.785 10 0 CDAERP Cc1ccc(OC[C@H](O)C[NH2+][C@H](C)CC[NH+](C)C)cc1 ZINC000049557493 342056528 /nfs/dbraw/zinc/05/65/28/342056528.db2.gz SQBKEXBESLXNNT-HUUCEWRRSA-N 2 0 280.412 1.665 10 0 CDAERP [NH3+]CCN1CC[NH2+]C[C@@H]1c1nccc2ccccc21 ZINC000616603150 361815971 /nfs/dbraw/zinc/81/59/71/361815971.db2.gz FITZSWCMCPJFEC-CQSZACIVSA-N 2 0 256.353 1.140 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)NC[C@@H](C)[NH+](C)C1CC1 ZINC000650847411 398243188 /nfs/dbraw/zinc/24/31/88/398243188.db2.gz VJINTCZSJHMRCN-CQSZACIVSA-N 2 0 298.475 1.746 10 0 CDAERP COC(=O)c1ccc(CN2CC[C@H]([NH3+])C[C@H]2C)nc1 ZINC000131937041 342069384 /nfs/dbraw/zinc/06/93/84/342069384.db2.gz WZFVQRNDIBEFQD-PWSUYJOCSA-N 2 0 263.341 1.180 10 0 CDAERP C[NH2+][C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379679700 342140463 /nfs/dbraw/zinc/14/04/63/342140463.db2.gz JTJAGSVQSDBUFN-LZWOXQAQSA-N 2 0 289.423 1.764 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCc2ccc(C[NH3+])cc2)CC[NH2+]1 ZINC000572485659 361833495 /nfs/dbraw/zinc/83/34/95/361833495.db2.gz ZVKBEPVJLJRWIW-FZMZJTMJSA-N 2 0 261.369 1.150 10 0 CDAERP CCO[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[N@@H+]2C)[C@@H]1SC ZINC000592172955 342678837 /nfs/dbraw/zinc/67/88/37/342678837.db2.gz MRDYXAREJBPCEX-DGAVXFQQSA-N 2 0 272.458 1.969 10 0 CDAERP Cc1nccn1CCCC[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593100955 342767449 /nfs/dbraw/zinc/76/74/49/342767449.db2.gz QEIKYWFHWWKDOP-LXIYXOSZSA-N 2 0 267.398 1.177 10 0 CDAERP [NH3+]C1(C[NH2+]C[C@@H]2CCOc3ccccc32)CCOCC1 ZINC000629387432 361899084 /nfs/dbraw/zinc/89/90/84/361899084.db2.gz GUTRCQKRRDWLFE-ZDUSSCGKSA-N 2 0 276.380 1.650 10 0 CDAERP C[C@H](CC(=O)Nc1ccccc1)[NH2+]CCOCCC[NH3+] ZINC000629398084 361929858 /nfs/dbraw/zinc/92/98/58/361929858.db2.gz LSNRWVZLRLIXEN-CYBMUJFWSA-N 2 0 279.384 1.359 10 0 CDAERP [NH3+]CCCOCC[NH2+]C/C=C/c1ccc(F)cc1 ZINC000629399462 361935465 /nfs/dbraw/zinc/93/54/65/361935465.db2.gz HCSYKRAONMNFME-HNQUOIGGSA-N 2 0 252.333 1.794 10 0 CDAERP Cn1cc(C[NH2+]CCOCCC[NH3+])c(C(C)(C)C)n1 ZINC000629400774 361939500 /nfs/dbraw/zinc/93/95/00/361939500.db2.gz KTJWHXSWTLYFFA-UHFFFAOYSA-N 2 0 268.405 1.173 10 0 CDAERP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000353503735 539097999 /nfs/dbraw/zinc/09/79/99/539097999.db2.gz PDOHSJKHLSXFHY-ILXRZTDVSA-N 2 0 253.434 1.647 10 0 CDAERP CCC[NH+]1CCC(NC[C@H]2CCC[N@@H+]2CCOC)CC1 ZINC000163264099 539122199 /nfs/dbraw/zinc/12/21/99/539122199.db2.gz FJEGFGNTCYPZBO-MRXNPFEDSA-N 2 0 283.460 1.561 10 0 CDAERP CC(C)C(=O)N1CCC([NH2+][C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000037142573 539141850 /nfs/dbraw/zinc/14/18/50/539141850.db2.gz JUYZEZVNKZMJNK-CQSZACIVSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@H](CSCCF)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000595009049 342989674 /nfs/dbraw/zinc/98/96/74/342989674.db2.gz YFEAJJSGDNNLPQ-CQSZACIVSA-N 2 0 291.480 1.695 10 0 CDAERP Cn1ncc(C(F)(F)F)c1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000629513959 362128926 /nfs/dbraw/zinc/12/89/26/362128926.db2.gz NOFFMJPZALDSDK-PSASIEDQSA-N 2 0 276.306 1.656 10 0 CDAERP COC[C@@H]1C[N@H+](C)CC12CC[NH+](Cc1cccnc1)CC2 ZINC000169789846 362141398 /nfs/dbraw/zinc/14/13/98/362141398.db2.gz QWSHLLXCRGZQDG-INIZCTEOSA-N 2 0 289.423 1.872 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)C1CC[NH+](C)CC1 ZINC000081257915 342365813 /nfs/dbraw/zinc/36/58/13/342365813.db2.gz LJYDOCOBOMNDMW-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP CC1(C)[C@H]([NH2+]CC2([NH3+])CCOCC2)[C@@H]2CCCO[C@H]21 ZINC000629523494 362139866 /nfs/dbraw/zinc/13/98/66/362139866.db2.gz HPBKJJJFGLTEFG-YNEHKIRRSA-N 2 0 268.401 1.288 10 0 CDAERP [NH3+]C1(C[NH2+][C@@H]2CCCC23CCOCC3)CCOCC1 ZINC000629519920 362140293 /nfs/dbraw/zinc/14/02/93/362140293.db2.gz IWJMKMFRHRZFSC-CYBMUJFWSA-N 2 0 268.401 1.433 10 0 CDAERP CS[C@H]1CC[C@H]1[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000597181549 343477518 /nfs/dbraw/zinc/47/75/18/343477518.db2.gz AJQIAVQDHQBNHH-MJBXVCDLSA-N 2 0 273.490 1.742 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000250513103 344045837 /nfs/dbraw/zinc/04/58/37/344045837.db2.gz PJJBAFYPEZBYMP-WCVJEAGWSA-N 2 0 293.455 1.754 10 0 CDAERP C[C@@H](C(=O)N1CCC([NH+](C)C)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000101640687 362415601 /nfs/dbraw/zinc/41/56/01/362415601.db2.gz ZVHCBIWXNWXIBK-MCIONIFRSA-N 2 0 281.444 1.800 10 0 CDAERP CN[C@]1([NH3+])C=CC(O/C=C\[C@@]2([NH2+]C)C=CC=CC2)=CC1 ZINC000255003922 362472883 /nfs/dbraw/zinc/47/28/83/362472883.db2.gz GRCLUTCSFVJFGE-RBXSHCMTSA-N 2 0 273.380 1.709 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000262651482 344696676 /nfs/dbraw/zinc/69/66/76/344696676.db2.gz AJQIFIWVCNDZGT-RDBSUJKOSA-N 2 0 267.417 1.208 10 0 CDAERP C[NH2+]CC1CCN(C(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000237350007 345162049 /nfs/dbraw/zinc/16/20/49/345162049.db2.gz ICCCECDGSLBXCA-UHFFFAOYSA-N 2 0 261.369 1.217 10 0 CDAERP CC[N@H+](CCCO)C[C@H](O)CN(C)Cc1ccccc1 ZINC000608510365 345781242 /nfs/dbraw/zinc/78/12/42/345781242.db2.gz GLSBGADGIVIVLE-MRXNPFEDSA-N 2 0 280.412 1.184 10 0 CDAERP C[NH+](C)CCCNC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000623366739 346098259 /nfs/dbraw/zinc/09/82/59/346098259.db2.gz HJAYEFIQLFCTFM-OAHLLOKOSA-N 2 0 296.459 1.644 10 0 CDAERP C[C@@](O)(C[NH3+])CCCN1CC[NH+](C2CCCC2)CC1 ZINC000085302347 179010992 /nfs/dbraw/zinc/01/09/92/179010992.db2.gz VOCWTAZQVJTQQT-HNNXBMFYSA-N 2 0 269.433 1.037 10 0 CDAERP C[C@@](O)(C[NH3+])CCC[NH+]1CCc2ccccc2CC1 ZINC000085302019 179011086 /nfs/dbraw/zinc/01/10/86/179011086.db2.gz HMOAPNQKEGLRDD-INIZCTEOSA-N 2 0 262.397 1.577 10 0 CDAERP O=C(CC[N@@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1)NC1CC1 ZINC000085403561 179053232 /nfs/dbraw/zinc/05/32/32/179053232.db2.gz LVPNTSSXYATCAV-MRXNPFEDSA-N 2 0 293.455 1.899 10 0 CDAERP CCCCOC[C@H](O)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000227894992 346533842 /nfs/dbraw/zinc/53/38/42/346533842.db2.gz QXSQJMCKVMWPHF-MELADBBJSA-N 2 0 258.406 1.236 10 0 CDAERP C[C@H](CO[C@@H]1CCOC1)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623443525 346757539 /nfs/dbraw/zinc/75/75/39/346757539.db2.gz DCIQMQKITSRHRV-HZSPNIEDSA-N 2 0 270.417 1.643 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC000635940029 362788493 /nfs/dbraw/zinc/78/84/93/362788493.db2.gz HOHZOIBEPIDHCD-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@@]1(NC(=O)NC2CC([NH+]3CCCCC3)C2)CC[NH2+]C1 ZINC000612902577 347323811 /nfs/dbraw/zinc/32/38/11/347323811.db2.gz CEJADJURJVMKCZ-SSDMNJCBSA-N 2 0 280.416 1.055 10 0 CDAERP CC[C@](C[NH3+])(C1CC1)N1CC[NH+](CC(C)C)CC1 ZINC000086120671 179234827 /nfs/dbraw/zinc/23/48/27/179234827.db2.gz SSYXEDLIWGHHRR-HNNXBMFYSA-N 2 0 253.434 1.778 10 0 CDAERP CCC[C@H]1CN(CC2CC[NH+](CC)CC2)CC[NH2+]1 ZINC000086145721 179238662 /nfs/dbraw/zinc/23/86/62/179238662.db2.gz UITXDRVPUMPCRZ-HNNXBMFYSA-N 2 0 253.434 1.792 10 0 CDAERP CC(C)[C@@H]1C[NH2+][C@H](C)CN1C[C@@H]1CCCC[N@@H+]1C ZINC000086173763 179244766 /nfs/dbraw/zinc/24/47/66/179244766.db2.gz SCDZTSXZRRUXDW-ILXRZTDVSA-N 2 0 253.434 1.789 10 0 CDAERP C[N@@H+]1CCC[C@@H](CN2CC[NH2+]C[C@@H]2c2ccccc2)C1 ZINC000086177556 179246713 /nfs/dbraw/zinc/24/67/13/179246713.db2.gz JDYJYIWMBWLXNM-NVXWUHKLSA-N 2 0 273.424 1.975 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CN1CC[NH2+]C2(CCCC2)C1 ZINC000086145801 179239047 /nfs/dbraw/zinc/23/90/47/179239047.db2.gz IZVJWUWVXZAWHR-CQSZACIVSA-N 2 0 251.418 1.689 10 0 CDAERP C[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086223994 179253073 /nfs/dbraw/zinc/25/30/73/179253073.db2.gz HCDLHRRRKPVDAP-MGPQQGTHSA-N 2 0 253.434 1.789 10 0 CDAERP C[C@H]1C[NH2+][C@@H](C2CC2)CN1C[C@@H]1CCCC[N@@H+]1C ZINC000086259370 179257683 /nfs/dbraw/zinc/25/76/83/179257683.db2.gz AIQCKLDTLDYWQT-AEGPPILISA-N 2 0 251.418 1.543 10 0 CDAERP CN(CCC(=O)N[C@@H]1CCC[C@H]1[NH+](C)C)c1cc[nH+]cc1 ZINC000613663306 347863881 /nfs/dbraw/zinc/86/38/81/347863881.db2.gz WLRAYANBTZTPAK-HUUCEWRRSA-N 2 0 290.411 1.507 10 0 CDAERP CC(C)n1ccc(C[C@H](C)[NH2+]CC2=CC[NH2+]CC2)n1 ZINC000423349162 535091568 /nfs/dbraw/zinc/09/15/68/535091568.db2.gz VVHQWUQYRPZYFO-ZDUSSCGKSA-N 2 0 262.401 1.904 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@H](c1ncc[nH]1)C1CCCCC1 ZINC000629537177 362952494 /nfs/dbraw/zinc/95/24/94/362952494.db2.gz IGXLTCNGLPYWFH-AWEZNQCLSA-N 2 0 280.416 1.986 10 0 CDAERP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cnc(C)o1 ZINC000628234422 362965388 /nfs/dbraw/zinc/96/53/88/362965388.db2.gz ZRTRXUGWAWWKNQ-LBPRGKRZSA-N 2 0 255.362 1.429 10 0 CDAERP O=C(CC[C@H]1CCC[NH2+]C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000621655587 350693210 /nfs/dbraw/zinc/69/32/10/350693210.db2.gz SINMMJGEZIOJBA-MCIONIFRSA-N 2 0 265.401 1.119 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000629548408 362976495 /nfs/dbraw/zinc/97/64/95/362976495.db2.gz ZKUZRMKEILWAGC-XZDPQHSOSA-N 2 0 259.397 1.820 10 0 CDAERP CN(CC[NH+](C)C)c1ncccc1C[NH2+]C(C)(C)C ZINC000111239047 186374911 /nfs/dbraw/zinc/37/49/11/186374911.db2.gz GFYAYGNBJPTCQK-UHFFFAOYSA-N 2 0 264.417 1.968 10 0 CDAERP C[NH+](C)CC(C)(C)NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000622098698 350994292 /nfs/dbraw/zinc/99/42/92/350994292.db2.gz NPMIBYQLEPOFNH-ZDUSSCGKSA-N 2 0 269.433 1.707 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)[C@H]1CCN(C2CCCCC2)C1=O ZINC000629572367 363026809 /nfs/dbraw/zinc/02/68/09/363026809.db2.gz RDDXPXDBOKZIRQ-HNNXBMFYSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3C[C@H](C(N)=O)C3)CC2)C1 ZINC000624130752 351432368 /nfs/dbraw/zinc/43/23/68/351432368.db2.gz YONHWPKQFCTBQI-SDADXPQNSA-N 2 0 293.455 1.883 10 0 CDAERP [NH3+]C1CCC(Nc2ccc(N3CC[NH2+]CC3)cn2)CC1 ZINC000333876024 363200928 /nfs/dbraw/zinc/20/09/28/363200928.db2.gz VHUASKXVZLDKMZ-UHFFFAOYSA-N 2 0 275.400 1.173 10 0 CDAERP FC(F)(F)[C@@H](C[NH2+][C@H]1CCCSC1)N1CC[NH2+]CC1 ZINC000414993290 282910536 /nfs/dbraw/zinc/91/05/36/282910536.db2.gz UIQWCESSBSYSBZ-WDEREUQCSA-N 2 0 297.390 1.308 10 0 CDAERP COC(=O)CC[N@H+](CC(C)C)C[C@H]([NH3+])CC(C)C ZINC000414701852 291020656 /nfs/dbraw/zinc/02/06/56/291020656.db2.gz KYOWDLMRTFYUDU-CYBMUJFWSA-N 2 0 258.406 1.881 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)CC1 ZINC000634763942 358497826 /nfs/dbraw/zinc/49/78/26/358497826.db2.gz HOGYCSUXUAMWED-BBRMVZONSA-N 2 0 279.428 1.367 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](O)C2(C)C)[C@@H]2CCC[C@H]21 ZINC000353671073 283142146 /nfs/dbraw/zinc/14/21/46/283142146.db2.gz JJLVZWLJYKLCIG-QNSTZXKLSA-N 2 0 252.402 1.608 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000036192200 356230265 /nfs/dbraw/zinc/23/02/65/356230265.db2.gz LSLFDTFUDKNIJJ-INIZCTEOSA-N 2 0 287.407 1.254 10 0 CDAERP CCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000627615863 356245622 /nfs/dbraw/zinc/24/56/22/356245622.db2.gz RMVMDFKQCHHIJN-CYBMUJFWSA-N 2 0 267.417 1.271 10 0 CDAERP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634764884 358501731 /nfs/dbraw/zinc/50/17/31/358501731.db2.gz FCRPPFDCVHMMRI-NHIYQJMISA-N 2 0 277.412 1.119 10 0 CDAERP COC[C@H](C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)OC ZINC000659947410 412626710 /nfs/dbraw/zinc/62/67/10/412626710.db2.gz KXCRWKDBMACRQE-KGLIPLIRSA-N 2 0 256.390 1.066 10 0 CDAERP CC[NH+](CC)CC(=O)N[C@@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC000636090606 363480057 /nfs/dbraw/zinc/48/00/57/363480057.db2.gz LLKJDLGCSNMSDQ-VXGBXAGGSA-N 2 0 255.406 1.173 10 0 CDAERP COC(=O)[C@H]1CCC[N@@H+](C2CCC3(C[C@@H]3[NH3+])CC2)C1 ZINC000725271070 538461592 /nfs/dbraw/zinc/46/15/92/538461592.db2.gz WHCSOWNOJXLOAE-SDFYHXNISA-N 2 0 266.385 1.531 10 0 CDAERP C[NH+](C)CCCCC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000560498835 290498262 /nfs/dbraw/zinc/49/82/62/290498262.db2.gz REZOTKHXMFZNDN-UHFFFAOYSA-N 2 0 274.368 1.682 10 0 CDAERP CCC[NH+](CCC)CCCNC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000417467501 283213224 /nfs/dbraw/zinc/21/32/24/283213224.db2.gz MBXJBOIQIVPUFY-OLZOCXBDSA-N 2 0 272.437 1.533 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Cn1ccnc1 ZINC000558643829 357846362 /nfs/dbraw/zinc/84/63/62/357846362.db2.gz AYYGWSIAOIRJQW-STQMWFEESA-N 2 0 264.373 1.120 10 0 CDAERP CN(C)c1cc[nH+]cc1C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277297114 366393790 /nfs/dbraw/zinc/39/37/90/366393790.db2.gz OSGYUQIBZBQKNX-CYBMUJFWSA-N 2 0 290.411 1.704 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NCC1([NH3+])CCCCCC1 ZINC000418288608 370664272 /nfs/dbraw/zinc/66/42/72/370664272.db2.gz WOBRAPXXISGGEE-UONOGXRCSA-N 2 0 296.459 1.855 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)NCCC[NH+]1CCCC1 ZINC000070551778 358968488 /nfs/dbraw/zinc/96/84/88/358968488.db2.gz NXGUQWWYSMGKDZ-UHFFFAOYSA-N 2 0 275.396 1.404 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000236905548 358949254 /nfs/dbraw/zinc/94/92/54/358949254.db2.gz NLRHAMHFAWGMPF-DGAVXFQQSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@@]1(C[NH+]2CCC(O[C@@H]3CCOC3)CC2)CC[NH2+]C1 ZINC000261907077 359084580 /nfs/dbraw/zinc/08/45/80/359084580.db2.gz XHDLLBAYUAPDSZ-HUUCEWRRSA-N 2 0 268.401 1.256 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC000636156304 363645757 /nfs/dbraw/zinc/64/57/57/363645757.db2.gz OAQVLXKXQOMWMI-ZIAGYGMSSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@H]([NH2+]CCC[NH3+])c1ccc(NC(=O)NC2CC2)cc1 ZINC000423175035 299291486 /nfs/dbraw/zinc/29/14/86/299291486.db2.gz CPZLRZGTRCKNOK-NSHDSACASA-N 2 0 276.384 1.970 10 0 CDAERP c1ccc(C[N@H+]2CCCC[C@H]2CN[C@H]2CC[NH2+]C2)cc1 ZINC000379642795 359637758 /nfs/dbraw/zinc/63/77/58/359637758.db2.gz ZXUOSQVPUAMANT-IRXDYDNUSA-N 2 0 273.424 1.993 10 0 CDAERP C[C@@H]1C[C@@H](C)N(Cc2nnc(C3CCC3)n2C)C[C@H]1C[NH3+] ZINC000422625486 359648647 /nfs/dbraw/zinc/64/86/47/359648647.db2.gz BVJXFIKRZKVHFF-YRGRVCCFSA-N 2 0 291.443 1.888 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(OC(C)C)nc1 ZINC000422978366 359694192 /nfs/dbraw/zinc/69/41/92/359694192.db2.gz ZDYDUNXWTNUYSE-AWEZNQCLSA-N 2 0 281.400 1.712 10 0 CDAERP C[C@H]1[NH2+]CCN(C(=O)NC2CC([NH+]3CCCCC3)C2)[C@H]1C ZINC000334941022 291193933 /nfs/dbraw/zinc/19/39/33/291193933.db2.gz NHSFJFRIGWXRRH-DNDYEEKYSA-N 2 0 294.443 1.395 10 0 CDAERP OCCN1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423149556 359753583 /nfs/dbraw/zinc/75/35/83/359753583.db2.gz XTXSMFFIBBYHNP-LTIDMASMSA-N 2 0 295.471 1.344 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H](O)CC1 ZINC000560629640 359898986 /nfs/dbraw/zinc/89/89/86/359898986.db2.gz PZJRBXFTJABWCA-INIZCTEOSA-N 2 0 286.379 1.923 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000062940227 360020617 /nfs/dbraw/zinc/02/06/17/360020617.db2.gz SIGMNMWROHSXGP-OAHLLOKOSA-N 2 0 273.380 1.456 10 0 CDAERP CC[C@]1(C(=O)NC[C@H](c2cccs2)[NH+](C)C)CC[NH2+]C1 ZINC000062899760 360028378 /nfs/dbraw/zinc/02/83/78/360028378.db2.gz VXJPNFFZETWVFJ-DOMZBBRYSA-N 2 0 295.452 1.857 10 0 CDAERP Cc1cc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)on1 ZINC000631091052 360209528 /nfs/dbraw/zinc/20/95/28/360209528.db2.gz MZESJHGZAUCPCW-UHFFFAOYSA-N 2 0 267.373 1.308 10 0 CDAERP O=C(C[C@@H]1CCC[NH2+]C1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000054308215 360453427 /nfs/dbraw/zinc/45/34/27/360453427.db2.gz XWXLBHDDRBDHAX-LSDHHAIUSA-N 2 0 279.428 1.463 10 0 CDAERP C[C@]([NH3+])(C(=O)N1CCC2(CC[NH2+]2)CC1)c1ccccc1 ZINC000335632157 360610565 /nfs/dbraw/zinc/61/05/65/360610565.db2.gz SSGGNMQQPVRKPY-OAHLLOKOSA-N 2 0 273.380 1.215 10 0 CDAERP C(N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C12CC(C1)C[NH2+]2 ZINC000634992980 360627205 /nfs/dbraw/zinc/62/72/05/360627205.db2.gz IDZAEODIGGWGGN-BYLPVYNFSA-N 2 0 275.440 1.687 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000626941221 360672711 /nfs/dbraw/zinc/67/27/11/360672711.db2.gz ZTRUTEUZLFOCOX-RFQIPJPRSA-N 2 0 280.416 1.053 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000626952042 360696824 /nfs/dbraw/zinc/69/68/24/360696824.db2.gz MYVFZTMBAGRPGO-RWMBFGLXSA-N 2 0 270.421 1.156 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000626952040 360696887 /nfs/dbraw/zinc/69/68/87/360696887.db2.gz MYVFZTMBAGRPGO-AVGNSLFASA-N 2 0 270.421 1.156 10 0 CDAERP CCO[C@@H]1C[N@H+](CCCOCc2ccccc2)C[C@H]1C[NH3+] ZINC000405795237 412713954 /nfs/dbraw/zinc/71/39/54/412713954.db2.gz PYXKSUIHJVVUIO-IAGOWNOFSA-N 2 0 292.423 1.889 10 0 CDAERP [NH3+][C@H](C[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1)C1CC1 ZINC000423327359 283618782 /nfs/dbraw/zinc/61/87/82/283618782.db2.gz RJNRMJRAPYVXGT-BYNSBNAKSA-N 2 0 252.402 1.909 10 0 CDAERP CO[C@@H](C)[C@H](C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000366212219 361168760 /nfs/dbraw/zinc/16/87/60/361168760.db2.gz VVELFHMWSRVKAS-HOTGVXAUSA-N 2 0 297.487 1.950 10 0 CDAERP C[C@H](CC(N)=O)[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000267230970 363770269 /nfs/dbraw/zinc/77/02/69/363770269.db2.gz KXMXBOSUPOZSRC-SNVBAGLBSA-N 2 0 267.348 1.241 10 0 CDAERP C[N@H+]1CC=C(CNC(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000519593527 361364417 /nfs/dbraw/zinc/36/44/17/361364417.db2.gz YIGAXQBOMGZBMR-UHFFFAOYSA-N 2 0 294.443 1.599 10 0 CDAERP CC[N@@H+]1CC[C@H]2OCCN(CCCn3ccnc3C)[C@H]2C1 ZINC000339386016 361474284 /nfs/dbraw/zinc/47/42/84/361474284.db2.gz CMJYHYWTBDPUQC-JKSUJKDBSA-N 2 0 292.427 1.377 10 0 CDAERP CN(C(=O)CC[C@@H]1CCC[NH2+]C1)[C@@H]1C[NH+]2CCC1CC2 ZINC000312476361 361499456 /nfs/dbraw/zinc/49/94/56/361499456.db2.gz XZGKBMQAXRWXBQ-DZGCQCFKSA-N 2 0 279.428 1.319 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000262862423 364058240 /nfs/dbraw/zinc/05/82/40/364058240.db2.gz UGJJHFYJLJVBHX-DOMZBBRYSA-N 2 0 275.396 1.476 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCN(C(=O)CC[C@H](C)[NH3+])C1 ZINC000248894177 364340970 /nfs/dbraw/zinc/34/09/70/364340970.db2.gz XDLYIMYDPWFNQI-QWHCGFSZSA-N 2 0 255.406 1.304 10 0 CDAERP C[N@H+](C[C@H](O)CN1CCOCC12CCCCC2)C1CC1 ZINC000451813421 364304005 /nfs/dbraw/zinc/30/40/05/364304005.db2.gz ITOHLCVKSSLDMP-HNNXBMFYSA-N 2 0 282.428 1.477 10 0 CDAERP COC[C@H](C)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000187196971 364716992 /nfs/dbraw/zinc/71/69/92/364716992.db2.gz DSLSUDFEBYMPGT-HZPDHXFCSA-N 2 0 283.460 1.371 10 0 CDAERP C[C@H]([NH3+])[C@H]1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000582240502 364816551 /nfs/dbraw/zinc/81/65/51/364816551.db2.gz UAMGAROJMNKOAL-IHRRRGAJSA-N 2 0 267.417 1.447 10 0 CDAERP O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CCC2(CC[NH2+]C2)CC1 ZINC000261731482 296069093 /nfs/dbraw/zinc/06/90/93/296069093.db2.gz HRUCMCVRVQOKRC-ZNMIVQPWSA-N 2 0 291.439 1.509 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)N1CC[NH+](C)CC1 ZINC000353499428 365258729 /nfs/dbraw/zinc/25/87/29/365258729.db2.gz UETDRABFRAVGFN-YYIAUSFCSA-N 3 0 294.487 1.085 10 0 CDAERP C[C@H](CCCC[NH3+])NC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000516569209 366873377 /nfs/dbraw/zinc/87/33/77/366873377.db2.gz BIKXVATTYWDUEB-NFFDBFGFSA-N 2 0 297.443 1.153 10 0 CDAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2cn[nH]c2)[C@@H](C)C1 ZINC000353622733 365338836 /nfs/dbraw/zinc/33/88/36/365338836.db2.gz NEDFQOZRCBTEIW-GOEBONIOSA-N 2 0 294.443 1.679 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CC[C@H]1CCC[NH2+]C1 ZINC000251876774 366980364 /nfs/dbraw/zinc/98/03/64/366980364.db2.gz ULHCNYTURCEJIT-OAGGEKHMSA-N 2 0 293.455 1.851 10 0 CDAERP CCOC(=O)C[N@H+](C[C@H]1CC[NH2+][C@@H](C)C1)C1CCC1 ZINC000414757186 241370397 /nfs/dbraw/zinc/37/03/97/241370397.db2.gz SCLLZMZRYPZBEO-STQMWFEESA-N 2 0 268.401 1.792 10 0 CDAERP FC(F)(F)CN1CCC([NH2+]CC[C@H]2CCC[NH2+]C2)CC1 ZINC000414839297 367155109 /nfs/dbraw/zinc/15/51/09/367155109.db2.gz MDQXTWJQDHYLIN-GFCCVEGCSA-N 2 0 293.377 1.992 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000626992073 367189313 /nfs/dbraw/zinc/18/93/13/367189313.db2.gz OZFSOWOAVRNQJZ-QWHCGFSZSA-N 2 0 270.421 1.158 10 0 CDAERP CCN1CC[NH+](CCCC[NH2+]Cc2cnccc2C)CC1 ZINC000280007276 367225732 /nfs/dbraw/zinc/22/57/32/367225732.db2.gz SDZSSKJSOJJNLY-UHFFFAOYSA-N 2 0 290.455 1.897 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000627089714 367411252 /nfs/dbraw/zinc/41/12/52/367411252.db2.gz YMBIDGGQCQSOQW-HNNXBMFYSA-N 2 0 288.395 1.183 10 0 CDAERP CCN(CC[NH3+])C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000627078535 367374179 /nfs/dbraw/zinc/37/41/79/367374179.db2.gz BCSSAMKNVAXERE-LLVKDONJSA-N 2 0 264.373 1.197 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000627161153 367591085 /nfs/dbraw/zinc/59/10/85/367591085.db2.gz QNNPKKVOSZTHAQ-APIJFGDWSA-N 2 0 294.443 1.395 10 0 CDAERP Cn1c2ccc(CNC[C@H]3CCC[NH2+]3)cc2sc1=O ZINC000414852872 367654179 /nfs/dbraw/zinc/65/41/79/367654179.db2.gz WQXVCORWLOXTFS-LLVKDONJSA-N 2 0 277.393 1.442 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627197276 367686651 /nfs/dbraw/zinc/68/66/51/367686651.db2.gz ZUNIYKTVTLTHIB-UONOGXRCSA-N 2 0 284.448 1.356 10 0 CDAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000627201249 367694083 /nfs/dbraw/zinc/69/40/83/367694083.db2.gz YIANWUQBUFEGLZ-HZSPNIEDSA-N 2 0 282.432 1.110 10 0 CDAERP CC[NH+](CC)CCC[C@H](C)NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638047362 367776822 /nfs/dbraw/zinc/77/68/22/367776822.db2.gz FMTQZTLCQKXZPR-GXTWGEPZSA-N 2 0 267.417 1.661 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000627240100 367804540 /nfs/dbraw/zinc/80/45/40/367804540.db2.gz QCEPQCYMFPHSKU-RRFJBIMHSA-N 2 0 294.443 1.397 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)CC2(O)CCC2)C[C@H]1C ZINC000528396765 367824041 /nfs/dbraw/zinc/82/40/41/367824041.db2.gz PTDFXMZXYQYAMS-QLFBSQMISA-N 2 0 284.444 1.457 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638071831 368035026 /nfs/dbraw/zinc/03/50/26/368035026.db2.gz NFIVVOVLLXMIGG-CHWSQXEVSA-N 2 0 253.390 1.126 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1 ZINC000418461321 243105622 /nfs/dbraw/zinc/10/56/22/243105622.db2.gz LPNQDNMAGLPSMV-AGIUHOORSA-N 2 0 290.411 1.598 10 0 CDAERP CCCN(CC[NH+]1CCCC1)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000418596289 243255877 /nfs/dbraw/zinc/25/58/77/243255877.db2.gz ORYCPNIQYQVLEB-CABCVRRESA-N 2 0 296.459 1.502 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)C2=CC[C@@H]([NH3+])C2)CC1 ZINC000638270089 369022171 /nfs/dbraw/zinc/02/21/71/369022171.db2.gz AIOKIIVRHRVSHV-GFCCVEGCSA-N 2 0 251.374 1.023 10 0 CDAERP CO[C@@](C)(CO)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000655784365 412777304 /nfs/dbraw/zinc/77/73/04/412777304.db2.gz BPMMWWXRBJWRPU-MRXNPFEDSA-N 2 0 284.444 1.771 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH+]2CCC[C@@H](C)C2)CC[N@@H+]1C ZINC000630812528 370034728 /nfs/dbraw/zinc/03/47/28/370034728.db2.gz YGZARLBYJUAZBU-FXUDXRNXSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)[NH+](CCNC(=O)N1CC[C@@H]([NH+](C)C)C1)C(C)C ZINC000170862103 369983626 /nfs/dbraw/zinc/98/36/26/369983626.db2.gz ZKTOIHLQHLGJCB-CQSZACIVSA-N 2 0 284.448 1.451 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000248888642 370110385 /nfs/dbraw/zinc/11/03/85/370110385.db2.gz VOMTYVYVYXRXBC-OFQRWUPVSA-N 2 0 289.423 1.893 10 0 CDAERP [NH3+]CCCCCCC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371232432 370218990 /nfs/dbraw/zinc/21/89/90/370218990.db2.gz SFYYHSKJGVPMCX-GJZGRUSLSA-N 2 0 281.444 1.886 10 0 CDAERP O=c1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)nc2ccccn12 ZINC000389798756 370245129 /nfs/dbraw/zinc/24/51/29/370245129.db2.gz IWEJXSBUVXNBNX-OKILXGFUSA-N 2 0 298.390 1.126 10 0 CDAERP COC[C@H](C)C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000249962715 370189653 /nfs/dbraw/zinc/18/96/53/370189653.db2.gz WOCYYVMRMWBFEZ-RHSMWYFYSA-N 2 0 292.423 1.625 10 0 CDAERP CSCC[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000371345823 370267967 /nfs/dbraw/zinc/26/79/67/370267967.db2.gz SQPVWLRNDZGMCZ-UHFFFAOYSA-N 2 0 285.501 1.840 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000564949527 370307424 /nfs/dbraw/zinc/30/74/24/370307424.db2.gz XJBZOMYFIJPTCZ-ZFWWWQNUSA-N 2 0 267.417 1.448 10 0 CDAERP CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccccc2CC[NH3+])C1 ZINC000565151790 370361350 /nfs/dbraw/zinc/36/13/50/370361350.db2.gz QCKFOOSJORWWAM-CQSZACIVSA-N 2 0 289.423 1.602 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1COc2c(cccc2OC)C1 ZINC000643452084 370446653 /nfs/dbraw/zinc/44/66/53/370446653.db2.gz XMMITPFVNREEJJ-KGLIPLIRSA-N 2 0 294.395 1.342 10 0 CDAERP CCC[NH+]1CCC([NH2+]CCn2cc(C)cn2)CC1 ZINC000121061316 370482820 /nfs/dbraw/zinc/48/28/20/370482820.db2.gz IZAMCRCLBWFQRL-UHFFFAOYSA-N 2 0 250.390 1.656 10 0 CDAERP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](C3CCCC3)CC2)C1 ZINC000122719321 371022322 /nfs/dbraw/zinc/02/23/22/371022322.db2.gz HQXAEDJYFGYCCQ-KRWDZBQOSA-N 2 0 295.471 1.656 10 0 CDAERP COC(=O)c1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000414964985 371103338 /nfs/dbraw/zinc/10/33/38/371103338.db2.gz VEVQONRKTKNBKC-SMDDNHRTSA-N 2 0 262.353 1.561 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC000569256704 371250233 /nfs/dbraw/zinc/25/02/33/371250233.db2.gz LXNJFRPUBUNWJT-CQSZACIVSA-N 2 0 281.444 1.661 10 0 CDAERP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)COC1CCC([NH3+])CC1 ZINC000572958137 371360252 /nfs/dbraw/zinc/36/02/52/371360252.db2.gz JWAVPLAJMRZMIA-PPWQZUPISA-N 2 0 297.443 1.072 10 0 CDAERP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000575116101 371744148 /nfs/dbraw/zinc/74/41/48/371744148.db2.gz IQEKCFNDPNOIBN-RBSFLKMASA-N 2 0 293.455 1.707 10 0 CDAERP C[C@H](CNC(=O)N1CCC[N@@H+](C2CC2)CC1)[NH+](C)C1CC1 ZINC000171696505 372213073 /nfs/dbraw/zinc/21/30/73/372213073.db2.gz MHOUCYJLMAOMJZ-CYBMUJFWSA-N 2 0 294.443 1.349 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000578357149 372420791 /nfs/dbraw/zinc/42/07/91/372420791.db2.gz XYTVHYNGKCFBOX-QWRGUYRKSA-N 2 0 277.359 1.350 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000173500186 372490172 /nfs/dbraw/zinc/49/01/72/372490172.db2.gz CRWKGHCRPRJPJC-HUUCEWRRSA-N 2 0 294.443 1.350 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCC[C@H]1CCCC[C@@H]1O ZINC000422995752 245477628 /nfs/dbraw/zinc/47/76/28/245477628.db2.gz YYXJMZKNDNNEKU-ILXRZTDVSA-N 2 0 272.433 1.661 10 0 CDAERP C[C@@H](C(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1)C1C[NH2+]C1 ZINC000367608567 372650100 /nfs/dbraw/zinc/65/01/00/372650100.db2.gz RUWHVVZIJJUCCU-UKRRQHHQSA-N 2 0 279.428 1.319 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CC[C@H]([NH3+])[C@@H]2C)C1 ZINC000333442267 205324414 /nfs/dbraw/zinc/32/44/14/205324414.db2.gz WHBUIYBMOSFWKX-MJBXVCDLSA-N 2 0 282.432 1.095 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000581499254 373046500 /nfs/dbraw/zinc/04/65/00/373046500.db2.gz YUKDPZYHEMVXOU-MELADBBJSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@]1(C(=O)N2CC3CCC2(C[NH3+])CC3)CCC[NH2+]C1 ZINC000581555686 373091919 /nfs/dbraw/zinc/09/19/19/373091919.db2.gz PRKXFBWQKMZQOQ-BLZCZZARSA-N 2 0 265.401 1.106 10 0 CDAERP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062973110 373207805 /nfs/dbraw/zinc/20/78/05/373207805.db2.gz KXRMVCHWJKLJKW-RWMBFGLXSA-N 2 0 253.390 1.057 10 0 CDAERP CC(C)[NH2+]CCN1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000191472814 373495879 /nfs/dbraw/zinc/49/58/79/373495879.db2.gz FOLFGBHDNXZMLH-IYBDPMFKSA-N 2 0 297.487 1.806 10 0 CDAERP CCC1([NH+](C)C)CCN(C[C@H](O)C[N@H+](C)C(C)C)CC1 ZINC000640015980 373992460 /nfs/dbraw/zinc/99/24/60/373992460.db2.gz PVUVDKDWFLPAPA-OAHLLOKOSA-N 2 0 285.476 1.494 10 0 CDAERP OCC[NH2+]C1CC[NH+](C[C@H]2CCC(F)(F)C2)CC1 ZINC000631862079 374062268 /nfs/dbraw/zinc/06/22/68/374062268.db2.gz LDOKAVQSRGODIF-NSHDSACASA-N 2 0 262.344 1.468 10 0 CDAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000418544684 374407522 /nfs/dbraw/zinc/40/75/22/374407522.db2.gz HMSVOYUSEVXJNQ-KBXIAJHMSA-N 2 0 294.443 1.253 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000418554855 374408808 /nfs/dbraw/zinc/40/88/08/374408808.db2.gz DIBVHTDHHQTGPP-ILXRZTDVSA-N 2 0 296.459 1.500 10 0 CDAERP COc1ccc(C[C@@H](C)[NH2+]CCC[NH3+])cc1OC ZINC000037713496 374595851 /nfs/dbraw/zinc/59/58/51/374595851.db2.gz CPHQEFGULFWCHH-LLVKDONJSA-N 2 0 252.358 1.573 10 0 CDAERP Cc1ccc(O)c(C[NH2+]C[C@H]2CCc3nccn3C2)n1 ZINC000328626562 374724397 /nfs/dbraw/zinc/72/43/97/374724397.db2.gz FFHKWZFDBZBQIW-GFCCVEGCSA-N 2 0 272.352 1.644 10 0 CDAERP Cc1nccn1CCCC[NH+]1CCC(n2cncn2)CC1 ZINC000125490717 374940176 /nfs/dbraw/zinc/94/01/76/374940176.db2.gz ZUUFJBMUMYQHAW-UHFFFAOYSA-N 2 0 288.399 1.900 10 0 CDAERP Cc1cc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)on1 ZINC000631076443 375047092 /nfs/dbraw/zinc/04/70/92/375047092.db2.gz YZPQEUCEPRNFSH-OKILXGFUSA-N 2 0 281.400 1.962 10 0 CDAERP Cc1cn2c(n1)C[C@@H](C(=O)N[C@H](C)C[N@H+](C)C(C)C)CC2 ZINC000627395472 375254229 /nfs/dbraw/zinc/25/42/29/375254229.db2.gz KTRJDASLOGLGDR-OCCSQVGLSA-N 2 0 292.427 1.599 10 0 CDAERP Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2ccnn2C)C1 ZINC000130424789 375290095 /nfs/dbraw/zinc/29/00/95/375290095.db2.gz VYRVFKWXWYVMJG-ZDUSSCGKSA-N 2 0 273.384 1.608 10 0 CDAERP C[NH2+]Cc1ccc(NC(=O)NCC(C)(C)[NH2+]C)cc1 ZINC000415983888 375511413 /nfs/dbraw/zinc/51/14/13/375511413.db2.gz OKHDFDARQIVLGR-UHFFFAOYSA-N 2 0 264.373 1.526 10 0 CDAERP O[C@H](Cn1cccn1)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000051907936 375588943 /nfs/dbraw/zinc/58/89/43/375588943.db2.gz UHYGWASFAHMSBE-INIZCTEOSA-N 2 0 292.427 1.052 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000417006702 375715032 /nfs/dbraw/zinc/71/50/32/375715032.db2.gz KCEJSCDFSRQUPH-UPJWGTAASA-N 2 0 270.421 1.095 10 0 CDAERP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCC[NH3+] ZINC000417253264 375742049 /nfs/dbraw/zinc/74/20/49/375742049.db2.gz LGXFLTRBYDELHV-FRRDWIJNSA-N 2 0 270.421 1.001 10 0 CDAERP [NH3+]CC[C@@H]([NH3+])c1cccc(I)c1 ZINC000306610386 375775758 /nfs/dbraw/zinc/77/57/58/375775758.db2.gz KXWJOMMEELKNKI-SECBINFHSA-N 2 0 276.121 1.640 10 0 CDAERP C[N@@H+]1CC[C@@H]2CN(C(=[NH2+])NCc3ccccc3)C[C@H]2C1 ZINC000306843450 375798999 /nfs/dbraw/zinc/79/89/99/375798999.db2.gz GJNBZAIOWMPYRU-HUUCEWRRSA-N 2 0 272.396 1.594 10 0 CDAERP C[N@@H+]1CC[C@]2(CCN(C(=[NH2+])NCc3ccccc3)C2)C1 ZINC000307716568 375871990 /nfs/dbraw/zinc/87/19/90/375871990.db2.gz HZKPLWJRXAEFIK-INIZCTEOSA-N 2 0 272.396 1.739 10 0 CDAERP CC[C@@H](C(N)=O)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062034242 375868463 /nfs/dbraw/zinc/86/84/63/375868463.db2.gz YGPQWNAWUATVCV-ZDUSSCGKSA-N 2 0 253.390 1.058 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000638976233 376323300 /nfs/dbraw/zinc/32/33/00/376323300.db2.gz VYCGZYZZWICXDH-CYBMUJFWSA-N 2 0 267.417 1.461 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@@H]([NH3+])C2CCC2)CC1 ZINC000638980904 376339205 /nfs/dbraw/zinc/33/92/05/376339205.db2.gz OXMSABWJIAYMKG-ZDUSSCGKSA-N 2 0 267.417 1.447 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000417387550 376304282 /nfs/dbraw/zinc/30/42/82/376304282.db2.gz HDDDCPZBRBORHI-HIFRSBDPSA-N 2 0 296.459 1.406 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](C[C@H]2C[C@@H](O)C2)CC1 ZINC000420907308 376460687 /nfs/dbraw/zinc/46/06/87/376460687.db2.gz VAMHJNVDFJVEHO-GASCZTMLSA-N 2 0 254.418 1.811 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000417395092 376553030 /nfs/dbraw/zinc/55/30/30/376553030.db2.gz TYNIQRGYKHJEGH-ZDUSSCGKSA-N 2 0 282.432 1.112 10 0 CDAERP CNC(=O)c1ccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631888049 376782520 /nfs/dbraw/zinc/78/25/20/376782520.db2.gz SQWIFXPJLDGAEY-HOTGVXAUSA-N 2 0 287.407 1.620 10 0 CDAERP CC[NH+](CC)CCCNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247302398 377087721 /nfs/dbraw/zinc/08/77/21/377087721.db2.gz LLSMRDIGWDLQKT-HUUCEWRRSA-N 2 0 298.475 1.746 10 0 CDAERP [NH3+][C@H]1CCCC[C@H]1NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000248874618 377343768 /nfs/dbraw/zinc/34/37/68/377343768.db2.gz LUGMLCCGICCWCR-YEKKKDRXSA-N 2 0 265.401 1.293 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000660587523 412874959 /nfs/dbraw/zinc/87/49/59/412874959.db2.gz SWPACTMNWBTINB-CYBMUJFWSA-N 2 0 284.448 1.499 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)[NH2+]C/C=C\Cl)[NH+](C)C ZINC001662255100 1172517716 /nfs/dbraw/zinc/51/77/16/1172517716.db2.gz DXQUUAPBUNAPDS-QIAMSNJGSA-N 2 0 261.797 1.173 10 0 CDAERP C[C@H]1CC[N@H+](Cc2ccc3c[nH]nc3c2)C[C@@H]1C[NH3+] ZINC000334820780 377656042 /nfs/dbraw/zinc/65/60/42/377656042.db2.gz MTKPXMNRQAOFBF-FZMZJTMJSA-N 2 0 258.369 1.980 10 0 CDAERP O=C(CC[N@@H+]1CCCC2(CCCC2)C1)N1CC[NH2+]CC1 ZINC000334967850 377741705 /nfs/dbraw/zinc/74/17/05/377741705.db2.gz KWNUDNAZYBNFFH-UHFFFAOYSA-N 2 0 279.428 1.465 10 0 CDAERP C[C@H]1C[C@@H]([NH3+])CN1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000632916775 377977187 /nfs/dbraw/zinc/97/71/87/377977187.db2.gz PIWBSOZIXJLVIS-WDEREUQCSA-N 2 0 286.339 1.221 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@H]1CC ZINC000633130125 378135374 /nfs/dbraw/zinc/13/53/74/378135374.db2.gz FGNLMFWIPVPUQJ-KFWWJZLASA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)N[C@H](C)C1([NH+]2CCOCC2)CCCC1 ZINC000193320013 378273941 /nfs/dbraw/zinc/27/39/41/378273941.db2.gz SVIIMFRZUXRSOZ-ZIAGYGMSSA-N 2 0 297.443 1.264 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000193295045 378286796 /nfs/dbraw/zinc/28/67/96/378286796.db2.gz FXXJLVVDPZJSRX-AWEZNQCLSA-N 2 0 281.444 1.838 10 0 CDAERP Cc1nccn1CCCC[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425553063 378483565 /nfs/dbraw/zinc/48/35/65/378483565.db2.gz STEWGAZMVMJADB-CYBMUJFWSA-N 2 0 274.372 1.579 10 0 CDAERP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3nc[nH]c3C2)[C@H]1C ZINC000353235863 378740978 /nfs/dbraw/zinc/74/09/78/378740978.db2.gz CIFNJVRYDRICHV-CYDGBPFRSA-N 2 0 291.395 1.834 10 0 CDAERP C[N@H+](CC1CCCC1)CC1CC[NH+](CCO)CC1 ZINC000069742500 378704357 /nfs/dbraw/zinc/70/43/57/378704357.db2.gz WNKKUKJAXCYTPG-UHFFFAOYSA-N 2 0 254.418 1.813 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCC[NH+](C)C1 ZINC000634133554 379069052 /nfs/dbraw/zinc/06/90/52/379069052.db2.gz MZQYOEDOHHKZRA-KGLIPLIRSA-N 2 0 284.448 1.500 10 0 CDAERP C[C@@H]1CC2(CCC2)C[N@@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000334820013 296293097 /nfs/dbraw/zinc/29/30/97/296293097.db2.gz XCLPLRXPNAVTEI-ZIAGYGMSSA-N 2 0 279.428 1.448 10 0 CDAERP Cc1ncsc1C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000657574555 412907730 /nfs/dbraw/zinc/90/77/30/412907730.db2.gz ZIYNBDFNJTUUEE-LBPRGKRZSA-N 2 0 284.473 1.813 10 0 CDAERP CC[N@H+](C)C[C@H](O)C[NH2+]C1(COC)CCCCC1 ZINC000662339388 412907758 /nfs/dbraw/zinc/90/77/58/412907758.db2.gz GWANAGXFAROWIX-CYBMUJFWSA-N 2 0 258.406 1.238 10 0 CDAERP CC(C)[C@H]1CN(C(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)CC[N@@H+]1C ZINC000634301096 379359669 /nfs/dbraw/zinc/35/96/69/379359669.db2.gz WMGHWJKHMNDLSX-OWCLPIDISA-N 2 0 295.471 1.811 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](C[C@@H](C)S(C)(=O)=O)CC1 ZINC000450260286 251198472 /nfs/dbraw/zinc/19/84/72/251198472.db2.gz BLIAWHABFLHLJL-CYBMUJFWSA-N 2 0 290.473 1.473 10 0 CDAERP CCC(C)(C)[NH+]1CCN(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000655966746 412979451 /nfs/dbraw/zinc/97/94/51/412979451.db2.gz GLQSZJMTNPYMLA-ZIAGYGMSSA-N 2 0 296.459 1.500 10 0 CDAERP C[C@H](O)c1ncc(C[NH2+]CCCC[NH+](C)C)s1 ZINC000289319258 197295889 /nfs/dbraw/zinc/29/58/89/197295889.db2.gz SVESKLRUTBQFMN-JTQLQIEISA-N 2 0 257.403 1.628 10 0 CDAERP C[C@@H]1CCCN(C(=O)c2ccc(C[NH3+])cc2)[C@H]1C[NH3+] ZINC000131911605 296380703 /nfs/dbraw/zinc/38/07/03/296380703.db2.gz MCTPFQCSNZVCDL-RISCZKNCSA-N 2 0 261.369 1.345 10 0 CDAERP CC(C)(C)[NH+]1CCC(NC(=O)[C@@H]2CCCCC[NH2+]2)CC1 ZINC000080995680 177751191 /nfs/dbraw/zinc/75/11/91/177751191.db2.gz SARFIPVTSXTZIN-AWEZNQCLSA-N 2 0 281.444 1.898 10 0 CDAERP C[C@H](C[NH3+])N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398163570 390244573 /nfs/dbraw/zinc/24/45/73/390244573.db2.gz GJFGAFBFOMUGNW-FMKPAKJESA-N 2 0 261.413 1.834 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000422777860 285374038 /nfs/dbraw/zinc/37/40/38/285374038.db2.gz GKLGSWBWIANERQ-DGAVXFQQSA-N 2 0 270.417 1.534 10 0 CDAERP C[N@@H+]1C[C@@H](C[NH2+][C@@H]2CCOC2)[C@H](c2ccccc2)C1 ZINC000647248776 390656441 /nfs/dbraw/zinc/65/64/41/390656441.db2.gz BXIOJHSXXOTGPF-OAGGEKHMSA-N 2 0 260.381 1.710 10 0 CDAERP C[C@@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCCCCC1 ZINC000237468489 390837782 /nfs/dbraw/zinc/83/77/82/390837782.db2.gz KYMYUTJCOFENQS-LSVZVQIISA-N 2 0 293.455 1.992 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000648210185 390952882 /nfs/dbraw/zinc/95/28/82/390952882.db2.gz LXMHXZNPVOXFPA-FRRDWIJNSA-N 2 0 265.401 1.165 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000156146332 390921297 /nfs/dbraw/zinc/92/12/97/390921297.db2.gz ZUFBRAFRIVNNGP-HOTGVXAUSA-N 2 0 293.455 1.946 10 0 CDAERP Cc1nn(C)c(C)c1CC[NH2+]C[C@H]([NH3+])CC(C)C ZINC000415091751 391013623 /nfs/dbraw/zinc/01/36/23/391013623.db2.gz ZWFMHYJZLTVDMN-CYBMUJFWSA-N 2 0 252.406 1.542 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N(C)C[C@H]2CCC[NH+](C)C2)C1 ZINC000520605539 391015490 /nfs/dbraw/zinc/01/54/90/391015490.db2.gz BGPMFLSKKBVVFE-KBPBESRZSA-N 2 0 267.417 1.128 10 0 CDAERP C[N@H+](CCCCOc1ccccc1)CCN1CC[NH2+]CC1 ZINC000647492426 390969498 /nfs/dbraw/zinc/96/94/98/390969498.db2.gz GBXKHBUMXRUIPD-UHFFFAOYSA-N 2 0 291.439 1.683 10 0 CDAERP CC[NH2+]CCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000417949651 391049038 /nfs/dbraw/zinc/04/90/38/391049038.db2.gz VLSABBBZVSUZSO-CABCVRRESA-N 2 0 290.411 1.341 10 0 CDAERP C[N@H+](CCCC1CC[NH2+]CC1)C[C@H]1CCS(=O)(=O)C1 ZINC000647886607 391148782 /nfs/dbraw/zinc/14/87/82/391148782.db2.gz APSNLXOWDCTTAZ-CQSZACIVSA-N 2 0 288.457 1.133 10 0 CDAERP C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)[C@H]1CC[NH2+]C1 ZINC000647903509 391200332 /nfs/dbraw/zinc/20/03/32/391200332.db2.gz KXTFIEJOTFOLHJ-ILXRZTDVSA-N 3 0 251.418 1.450 10 0 CDAERP CC(C)([NH3+])CCC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000648104177 391335967 /nfs/dbraw/zinc/33/59/67/391335967.db2.gz OKJGZGBPAADJTH-STQMWFEESA-N 2 0 267.417 1.495 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)C[C@H](C)O1 ZINC000648433412 391319193 /nfs/dbraw/zinc/31/91/93/391319193.db2.gz FQKAFYWEQAKARV-XGUBFFRZSA-N 2 0 270.417 1.379 10 0 CDAERP Cc1nc(F)ccc1C[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000278323951 391381043 /nfs/dbraw/zinc/38/10/43/391381043.db2.gz FGAZZQWSYBLWCE-LBPRGKRZSA-N 2 0 280.391 1.255 10 0 CDAERP CC(C)n1cncc1CN1CCC([N@H+](C)CCCO)CC1 ZINC000425335799 391469353 /nfs/dbraw/zinc/46/93/53/391469353.db2.gz JKVAMKABMVXREG-UHFFFAOYSA-N 2 0 294.443 1.743 10 0 CDAERP C[C@@H]1CN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)C[C@@]1(C)C[NH3+] ZINC000417833913 391501370 /nfs/dbraw/zinc/50/13/70/391501370.db2.gz JPXZHUNWKSQUPJ-SRCQZFHVSA-N 2 0 287.407 1.144 10 0 CDAERP CC(C)[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353525267 391626368 /nfs/dbraw/zinc/62/63/68/391626368.db2.gz XLZNPGCGXKJMKE-LJISPDSOSA-N 2 0 254.418 1.856 10 0 CDAERP CN(CCC[NH+]1CCCC1)[C@@H]1CCN(C(C)(C)C)C1=O ZINC000425442656 391577183 /nfs/dbraw/zinc/57/71/83/391577183.db2.gz KAEAKZMBBPFPDR-CQSZACIVSA-N 2 0 281.444 1.804 10 0 CDAERP CC(C)[C@@H]([NH3+])CNC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000417532717 391639992 /nfs/dbraw/zinc/63/99/92/391639992.db2.gz LPAFORUUNCGCMB-MJBXVCDLSA-N 2 0 284.448 1.532 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000417533525 391640819 /nfs/dbraw/zinc/64/08/19/391640819.db2.gz MWFGUKGMZJJEPK-HZSPNIEDSA-N 2 0 282.432 1.301 10 0 CDAERP CO[C@H](C)C[N@H+](C)[C@H]1CCC[NH+](C[C@@H](C)OC)CC1 ZINC000360206677 391647225 /nfs/dbraw/zinc/64/72/25/391647225.db2.gz BIVMCDOZTADOFY-KFWWJZLASA-N 2 0 272.433 1.843 10 0 CDAERP COCC1(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647801106 391664710 /nfs/dbraw/zinc/66/47/10/391664710.db2.gz NXFMMLCQCJHCKO-MGPQQGTHSA-N 2 0 252.402 1.781 10 0 CDAERP COc1ccc(C[C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])cc1OC ZINC000415011467 391722359 /nfs/dbraw/zinc/72/23/59/391722359.db2.gz HWUBUCMQBUNGLA-SDDRHHMPSA-N 2 0 266.385 1.960 10 0 CDAERP COc1c(O)cccc1C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415045033 391736445 /nfs/dbraw/zinc/73/64/45/391736445.db2.gz SXMHGILLRILLSE-CMPLNLGQSA-N 2 0 250.342 1.618 10 0 CDAERP Cc1ncsc1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415053210 391737347 /nfs/dbraw/zinc/73/73/47/391737347.db2.gz MAUDRKGIJQMSEJ-UHFFFAOYSA-N 2 0 294.468 1.758 10 0 CDAERP CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418197844 391797783 /nfs/dbraw/zinc/79/77/83/391797783.db2.gz KANMKMJYXWNAAQ-ZFWWWQNUSA-N 2 0 292.427 1.714 10 0 CDAERP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1c[nH+]ccc1N(C)C ZINC000647831111 391812737 /nfs/dbraw/zinc/81/27/37/391812737.db2.gz GTVHKRAQVSQFTK-DGCLKSJQSA-N 2 0 276.384 1.312 10 0 CDAERP [NH3+]C1(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CCCCC1 ZINC000649319305 392010791 /nfs/dbraw/zinc/01/07/91/392010791.db2.gz WPBFNHOFTJXIAM-UHFFFAOYSA-N 2 0 285.351 1.867 10 0 CDAERP CCC[C@](C)([NH3+])C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000262589395 392047280 /nfs/dbraw/zinc/04/72/80/392047280.db2.gz UHWCJNLQOBJBTO-HIFRSBDPSA-N 2 0 269.433 1.741 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422004626 392172485 /nfs/dbraw/zinc/17/24/85/392172485.db2.gz HAMUYLRDWXAPAU-YMAMQOFZSA-N 2 0 281.444 1.850 10 0 CDAERP CC[N@@H+]1CC[C@H](CN[C@H](Cc2ccccc2)[C@H](C)[NH3+])C1 ZINC000422689184 392249499 /nfs/dbraw/zinc/24/94/99/392249499.db2.gz DULYDXIHLGKPLU-USXIJHARSA-N 2 0 275.440 1.876 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000423021612 392279080 /nfs/dbraw/zinc/27/90/80/392279080.db2.gz CNUXBVKNYIAKPZ-BYNSBNAKSA-N 2 0 282.428 1.678 10 0 CDAERP Cc1cc(N2CCC[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])C2)n(C)n1 ZINC000423076673 392321391 /nfs/dbraw/zinc/32/13/91/392321391.db2.gz RQWOHYOXGHNTRR-BZPMIXESSA-N 2 0 279.432 1.413 10 0 CDAERP CC(C)(CN[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)C[NH+]1CCCC1 ZINC000423084087 392329651 /nfs/dbraw/zinc/32/96/51/392329651.db2.gz ZSUBHMBPJHYLPO-HOTGVXAUSA-N 2 0 295.471 1.465 10 0 CDAERP CC[NH+](CC)[C@H](C)CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423082926 392329904 /nfs/dbraw/zinc/32/99/04/392329904.db2.gz FGQADKJULXIOIN-FXUDXRNXSA-N 2 0 283.460 1.463 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H]1CCc2ccc(OC)cc21 ZINC000629528488 392384481 /nfs/dbraw/zinc/38/44/81/392384481.db2.gz AEXQCFCHISAWFS-OAHLLOKOSA-N 2 0 264.369 1.508 10 0 CDAERP CCc1nc2c(s1)[C@@H]([NH2+]CCOCC[NH2+]C)CCC2 ZINC000629528705 392385206 /nfs/dbraw/zinc/38/52/06/392385206.db2.gz HCLGSXXGGXPWJR-NSHDSACASA-N 2 0 283.441 1.909 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCCc1ncccc1C ZINC000423149784 392389846 /nfs/dbraw/zinc/38/98/46/392389846.db2.gz HZXYWYSWGLLFIW-CQSZACIVSA-N 2 0 265.401 1.666 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000423182313 392421111 /nfs/dbraw/zinc/42/11/11/392421111.db2.gz LNFPNPZSQMDSKV-CABCVRRESA-N 2 0 295.402 1.748 10 0 CDAERP C[C@@H]1C[C@@H](NC[C@@H]([NH3+])c2ccccc2)C[N@@H+]1C1CC1 ZINC000423237006 392462185 /nfs/dbraw/zinc/46/21/85/392462185.db2.gz HUAKSABYVPSYIA-XNRPHZJLSA-N 2 0 259.397 1.901 10 0 CDAERP CC[C@@H](Cn1cncn1)[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000423290458 392490791 /nfs/dbraw/zinc/49/07/91/392490791.db2.gz DBNQQKKHMGGUCR-DOMZBBRYSA-N 2 0 273.384 1.866 10 0 CDAERP CCCC[C@H](C[NH3+])N[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000423295587 392492938 /nfs/dbraw/zinc/49/29/38/392492938.db2.gz FJOQLKBCIUCXNI-LXTVHRRPSA-N 2 0 253.434 1.966 10 0 CDAERP c1ccc([C@H](C[C@H]2CCOC2)[NH2+]CC2C[NH2+]C2)cc1 ZINC000423299799 392496774 /nfs/dbraw/zinc/49/67/74/392496774.db2.gz COYMATCAPQZVCX-CJNGLKHVSA-N 2 0 260.381 1.963 10 0 CDAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1 ZINC000423481964 392579258 /nfs/dbraw/zinc/57/92/58/392579258.db2.gz XBSYGKZPYDPSQI-SRVKXCTJSA-N 2 0 259.357 1.654 10 0 CDAERP CC[C@H]1CCCCN1CC[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000495079708 393172968 /nfs/dbraw/zinc/17/29/68/393172968.db2.gz OYUWOCBRIDRLGV-KBPBESRZSA-N 2 0 281.444 1.898 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+]Cc1cn2cccnc2n1 ZINC000459493451 393194470 /nfs/dbraw/zinc/19/44/70/393194470.db2.gz YHHGZXBUWKYKQT-UHFFFAOYSA-N 2 0 291.399 1.177 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@@H](O)Cc2ccccc2)C1 ZINC000656153252 413060869 /nfs/dbraw/zinc/06/08/69/413060869.db2.gz IHQDOJSYFDXHHZ-XHSDSOJGSA-N 2 0 262.397 1.520 10 0 CDAERP O=C(CCC1CC[NH2+]CC1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186495824 140063010 /nfs/dbraw/zinc/06/30/10/140063010.db2.gz AFSGJDVIUUQBLG-AWEZNQCLSA-N 2 0 279.428 1.509 10 0 CDAERP Cc1nc2ccccc2n1CC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195333981 140153684 /nfs/dbraw/zinc/15/36/84/140153684.db2.gz LMDYAZXRNGVNPP-AWEZNQCLSA-N 2 0 298.390 1.651 10 0 CDAERP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000225019637 140174626 /nfs/dbraw/zinc/17/46/26/140174626.db2.gz ADSKZQXKLXJSHZ-SDADXPQNSA-N 2 0 291.439 1.508 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]2CN(CC(=O)NC3CCCCC3)C[C@@H]21 ZINC000230045936 140206817 /nfs/dbraw/zinc/20/68/17/140206817.db2.gz TZWISIXFYMDAJT-VHDGCEQUSA-N 2 0 279.428 1.495 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC([NH+]3CCCCC3)CC2)CC[NH2+]1 ZINC000235717439 140238053 /nfs/dbraw/zinc/23/80/53/140238053.db2.gz MXYZRBOUPMKDAO-GJZGRUSLSA-N 2 0 293.455 1.851 10 0 CDAERP [NH3+]C1(CNC(=O)CC2CC[NH2+]CC2)CCCCCC1 ZINC000237817627 140258759 /nfs/dbraw/zinc/25/87/59/140258759.db2.gz GAMCQSUIGWMBBD-UHFFFAOYSA-N 2 0 267.417 1.544 10 0 CDAERP C(CN1CC[N@@H+]2CCCC[C@@H]2C1)C[NH+]1CCCC1 ZINC000245706207 140276227 /nfs/dbraw/zinc/27/62/27/140276227.db2.gz YOSAEEKXYPKDBA-OAHLLOKOSA-N 2 0 251.418 1.642 10 0 CDAERP O=C(NCC[NH+]1CCCCC1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000250826801 140306509 /nfs/dbraw/zinc/30/65/09/140306509.db2.gz HSDNUVMHABMTRJ-ZNMIVQPWSA-N 2 0 279.428 1.509 10 0 CDAERP CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000684378076 483317236 /nfs/dbraw/zinc/31/72/36/483317236.db2.gz YCCTYYDUTDJSAQ-SOUVJXGZSA-N 2 0 269.433 1.170 10 0 CDAERP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H]2COC3(CCC3)C2)CC1 ZINC000657924831 413092110 /nfs/dbraw/zinc/09/21/10/413092110.db2.gz HZBGCKXZOVHKIC-OWCLPIDISA-N 2 0 294.439 1.665 10 0 CDAERP CC[C@H]([NH2+]C)C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000662530458 413100571 /nfs/dbraw/zinc/10/05/71/413100571.db2.gz ATDWWZJFSZAJNE-AGIUHOORSA-N 2 0 253.390 1.070 10 0 CDAERP C[C@H](CO)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000679537142 483381050 /nfs/dbraw/zinc/38/10/50/483381050.db2.gz CTZRKBLYLXCLDN-HNNXBMFYSA-N 2 0 284.444 1.439 10 0 CDAERP Cc1cc(NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc[nH+]1 ZINC000664234796 413163589 /nfs/dbraw/zinc/16/35/89/413163589.db2.gz BAQWOZVKAIVGPV-SFHVURJKSA-N 2 0 297.402 1.991 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(Cn2cnnc2)CC1 ZINC000649788478 397956988 /nfs/dbraw/zinc/95/69/88/397956988.db2.gz XFFREMHFCOHBGL-INIZCTEOSA-N 2 0 291.443 1.865 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000390757011 397979463 /nfs/dbraw/zinc/97/94/63/397979463.db2.gz WXLNBAGSMLQDDU-GOEBONIOSA-N 2 0 291.439 1.997 10 0 CDAERP COCc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)o1 ZINC000382711676 398074315 /nfs/dbraw/zinc/07/43/15/398074315.db2.gz FFYNFSAZKPLNDQ-LEWSCRJBSA-N 2 0 250.342 1.595 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)CC[C@H]1CCC[NH2+]1 ZINC000386651296 398077414 /nfs/dbraw/zinc/07/74/14/398077414.db2.gz SYFVMBNTNAITRT-CYBMUJFWSA-N 2 0 255.406 1.319 10 0 CDAERP [NH3+]Cc1ccc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000094462999 147088382 /nfs/dbraw/zinc/08/83/82/147088382.db2.gz HSTBZZXSMLEAOP-CQSZACIVSA-N 2 0 274.368 1.457 10 0 CDAERP CC(C)[NH+](CCNC(=O)[C@H]1CC[C@@H]([NH3+])C1)C(C)C ZINC000097092045 147120796 /nfs/dbraw/zinc/12/07/96/147120796.db2.gz FFAJPCROLAVQSW-QWHCGFSZSA-N 2 0 255.406 1.349 10 0 CDAERP O[C@H](C[NH2+]C[C@@H]1CC=CCC1)C[NH+]1CCCCC1 ZINC000120035121 147329126 /nfs/dbraw/zinc/32/91/26/147329126.db2.gz DGYUWVADHIMFLU-HUUCEWRRSA-N 2 0 252.402 1.779 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000654385477 413208993 /nfs/dbraw/zinc/20/89/93/413208993.db2.gz KIEBMHYITQOLKJ-LXTVHRRPSA-N 2 0 294.443 1.253 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](CCOCCOC)CC1 ZINC000352428823 155183050 /nfs/dbraw/zinc/18/30/50/155183050.db2.gz ULDGUGNYQKEMHZ-UHFFFAOYSA-N 2 0 272.433 1.703 10 0 CDAERP CC[NH+](CC)CCN1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000179291665 148104464 /nfs/dbraw/zinc/10/44/64/148104464.db2.gz VIRMKCSBIYVWHE-QGZVFWFLSA-N 2 0 296.503 1.430 10 0 CDAERP CO[C@H](C)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000182157313 148244550 /nfs/dbraw/zinc/24/45/50/148244550.db2.gz HCHCWJXGKPVIFA-HUUCEWRRSA-N 2 0 269.433 1.123 10 0 CDAERP C[C@H](CC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000248038135 148842022 /nfs/dbraw/zinc/84/20/22/148842022.db2.gz SEVLHORCHPIKOE-FPCVCCKLSA-N 2 0 293.455 1.707 10 0 CDAERP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@@H](O)C3CCCCC3)C2)C1 ZINC000311878079 149222610 /nfs/dbraw/zinc/22/26/10/149222610.db2.gz XVMGOTVEUHVQOR-HZPDHXFCSA-N 2 0 266.429 1.955 10 0 CDAERP C[C@H](C(=O)N(C)C1CCCCC1)N1CCC2(CC[NH2+]2)CC1 ZINC000335016740 150190027 /nfs/dbraw/zinc/19/00/27/150190027.db2.gz HWKCDHLTOGKVGX-CQSZACIVSA-N 2 0 293.455 1.994 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000335031674 150206580 /nfs/dbraw/zinc/20/65/80/150206580.db2.gz KCMOEGILPHKHHZ-GJZGRUSLSA-N 2 0 293.455 1.709 10 0 CDAERP O=C(N1CC[NH+]2CCC1CC2)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000335045489 150223317 /nfs/dbraw/zinc/22/33/17/150223317.db2.gz AAQLOPIIRLKOED-SFHVURJKSA-N 2 0 299.418 1.224 10 0 CDAERP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NCC1([NH3+])CCCC1 ZINC000662649806 413251148 /nfs/dbraw/zinc/25/11/48/413251148.db2.gz SKQRVTVPDAZYCL-QWHCGFSZSA-N 2 0 267.417 1.672 10 0 CDAERP C[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC[NH2+]1 ZINC000335885566 151081425 /nfs/dbraw/zinc/08/14/25/151081425.db2.gz RUZMHUSTVIJCLW-AAEUAGOBSA-N 2 0 273.380 1.659 10 0 CDAERP Cc1ccc([C@H](CNC(=O)NCCC[NH3+])[NH+]2CCCC2)o1 ZINC000417415548 292252398 /nfs/dbraw/zinc/25/23/98/292252398.db2.gz FZIIARNMEJDGLL-ZDUSSCGKSA-N 2 0 294.399 1.373 10 0 CDAERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)NC(C)(C)C)C1 ZINC000350288068 154360717 /nfs/dbraw/zinc/36/07/17/154360717.db2.gz QRYQNGWKUAOAHP-CQSZACIVSA-N 2 0 299.459 1.334 10 0 CDAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662692366 413322428 /nfs/dbraw/zinc/32/24/28/413322428.db2.gz WQRHMORQHYXUAQ-RBSFLKMASA-N 2 0 275.396 1.013 10 0 CDAERP [NH3+]C1(CC(=O)NC2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000662699116 413337176 /nfs/dbraw/zinc/33/71/76/413337176.db2.gz WKHLMAGCZOPKNX-UHFFFAOYSA-N 2 0 279.428 1.639 10 0 CDAERP CO[C@H](C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1)C1CC1 ZINC000660665581 413352951 /nfs/dbraw/zinc/35/29/51/413352951.db2.gz WSKFTABDKBAIBQ-HUUCEWRRSA-N 2 0 252.402 1.829 10 0 CDAERP c1ncn(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000330174661 304864811 /nfs/dbraw/zinc/86/48/11/304864811.db2.gz IKUFGAJFHLKGHW-MELADBBJSA-N 2 0 263.389 1.179 10 0 CDAERP Cc1ccccc1[C@H]([NH3+])C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662730534 413395010 /nfs/dbraw/zinc/39/50/10/413395010.db2.gz IJLSZQREIQDJSF-KGLIPLIRSA-N 2 0 263.385 1.484 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CC[NH2+]C1(CO)Cc2ccccc2C1 ZINC000372425271 160120059 /nfs/dbraw/zinc/12/00/59/160120059.db2.gz LYLUAIFTLYXAGZ-MRXNPFEDSA-N 2 0 274.408 1.590 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333932434 286832026 /nfs/dbraw/zinc/83/20/26/286832026.db2.gz GUVDFDGTUOZKBZ-UONOGXRCSA-N 2 0 282.432 1.302 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000312917766 298392106 /nfs/dbraw/zinc/39/21/06/298392106.db2.gz LXSNKLJCEZTRNO-NEPJUHHUSA-N 2 0 299.440 1.502 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001665659682 1173034267 /nfs/dbraw/zinc/03/42/67/1173034267.db2.gz PWQSFAZFGQEMCA-UONOGXRCSA-N 2 0 269.433 1.517 10 0 CDAERP CC1(C)C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCS1 ZINC000662255892 411633666 /nfs/dbraw/zinc/63/36/66/411633666.db2.gz SFASMQCPIRJOLR-LLVKDONJSA-N 2 0 256.415 1.335 10 0 CDAERP CN([C@H](C[NH3+])c1ccc(F)c(F)c1)C1CC[NH+](C)CC1 ZINC000022211514 171373986 /nfs/dbraw/zinc/37/39/86/171373986.db2.gz YKHFEWNSNRCRCM-OAHLLOKOSA-N 2 0 283.366 1.991 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000653214204 412142303 /nfs/dbraw/zinc/14/23/03/412142303.db2.gz LFLOZFYGSGKGFI-ZDUSSCGKSA-N 2 0 261.369 1.020 10 0 CDAERP CC1(C)CC[NH2+][C@H]1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000662775584 413476458 /nfs/dbraw/zinc/47/64/58/413476458.db2.gz CMUOLCYQNLRMRP-AWEZNQCLSA-N 2 0 291.370 1.798 10 0 CDAERP O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)C1([NH2+]C2CC2)CCC1 ZINC000662819447 413542789 /nfs/dbraw/zinc/54/27/89/413542789.db2.gz FXHMSNCYGMPCBE-CYBMUJFWSA-N 2 0 277.412 1.452 10 0 CDAERP CN(CC[NH+]1CCCCC1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654664700 413562138 /nfs/dbraw/zinc/56/21/38/413562138.db2.gz MMUWUJQKZRBBHS-GASCZTMLSA-N 2 0 296.459 1.454 10 0 CDAERP CCO[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2)C[C@H]1C[NH3+] ZINC000405430679 413584723 /nfs/dbraw/zinc/58/47/23/413584723.db2.gz HTDUQIAAQVLQHP-UKRRQHHQSA-N 2 0 291.395 1.311 10 0 CDAERP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCCC[NH3+])cc1 ZINC000656789938 413668777 /nfs/dbraw/zinc/66/87/77/413668777.db2.gz DSIYAWGSIHDJCM-HOTGVXAUSA-N 2 0 277.412 1.469 10 0 CDAERP c1cc([C@H]2C[NH2+]CCO2)ccc1N[C@@H]1CCC[NH2+]C1 ZINC000656791721 413673717 /nfs/dbraw/zinc/67/37/17/413673717.db2.gz GRFSIOLIJRMWFO-HUUCEWRRSA-N 2 0 261.369 1.511 10 0 CDAERP Cc1ccc(NC(=O)[C@@H]([NH3+])COC(C)C)c(C[NH+](C)C)c1 ZINC000659285840 413678520 /nfs/dbraw/zinc/67/85/20/413678520.db2.gz SAUGWSJCCZZIGN-AWEZNQCLSA-N 2 0 293.411 1.747 10 0 CDAERP [NH3+]C1(CC(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CCC1 ZINC000659371217 413756301 /nfs/dbraw/zinc/75/63/01/413756301.db2.gz ZTTOYIKSPQCARB-CQSZACIVSA-N 2 0 289.379 1.558 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000659450912 413837094 /nfs/dbraw/zinc/83/70/94/413837094.db2.gz HVHAKNOABBGFOP-WCQYABFASA-N 2 0 270.421 1.142 10 0 CDAERP CC[NH2+]CCNC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659515201 413911140 /nfs/dbraw/zinc/91/11/40/413911140.db2.gz QVHQQXAZMWLVCN-AWEZNQCLSA-N 2 0 282.432 1.017 10 0 CDAERP Cc1ccncc1CC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000665239794 413967763 /nfs/dbraw/zinc/96/77/63/413967763.db2.gz ZGFWXWBOPDVHKG-GVDBMIGSSA-N 2 0 289.423 1.679 10 0 CDAERP C[C@@H](C[NH2+]CCN1CC[NH+](C)CC1)c1ccccc1 ZINC000037496809 173235965 /nfs/dbraw/zinc/23/59/65/173235965.db2.gz YGNGFNIFASCWJT-HNNXBMFYSA-N 2 0 261.413 1.627 10 0 CDAERP Cn1nnc2cc(C[NH2+]C[C@H]3C[C@@H]([NH+](C)C)C3)ccc21 ZINC000655826010 414232223 /nfs/dbraw/zinc/23/22/23/414232223.db2.gz CCESBJULMANFOV-BETUJISGSA-N 2 0 273.384 1.398 10 0 CDAERP O[C@@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)C1CC1 ZINC000657368556 414235150 /nfs/dbraw/zinc/23/51/50/414235150.db2.gz SNSRTPHRZCOULH-AWEZNQCLSA-N 2 0 258.325 1.128 10 0 CDAERP COc1cc(C)nc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000655827643 414236728 /nfs/dbraw/zinc/23/67/28/414236728.db2.gz VYIIHMKSQOLJII-XBXGTLAGSA-N 2 0 263.385 1.828 10 0 CDAERP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cc2n(n1)CCC2 ZINC000655804365 414198121 /nfs/dbraw/zinc/19/81/21/414198121.db2.gz WRMYZCNCKOQNGY-SGMGOOAPSA-N 2 0 262.401 1.820 10 0 CDAERP CC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cnn(C)c1 ZINC000655805445 414198903 /nfs/dbraw/zinc/19/89/03/414198903.db2.gz HIZSKXGRAWCSQG-KWCYVHTRSA-N 2 0 250.390 1.801 10 0 CDAERP c1cc(C[NH2+][C@H]2CCc3c[nH]nc3C2)n(-c2cc[nH+]cc2)n1 ZINC000657394986 414281090 /nfs/dbraw/zinc/28/10/90/414281090.db2.gz YDTKBGTYPYTCOF-ZDUSSCGKSA-N 2 0 294.362 1.638 10 0 CDAERP CO[C@H](C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)[C@@H]1CCOC1 ZINC000659947692 414290676 /nfs/dbraw/zinc/29/06/76/414290676.db2.gz MMIPEUYOGYXQHX-BZUAXINKSA-N 2 0 282.428 1.456 10 0 CDAERP [NH3+]C[C@@H](NCc1nc2c(s1)C[NH2+]CC2)C1CCCC1 ZINC000663499261 414299134 /nfs/dbraw/zinc/29/91/34/414299134.db2.gz VOGQMOPMPZJNGA-GFCCVEGCSA-N 2 0 280.441 1.396 10 0 CDAERP CC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)C1CC1 ZINC000661757130 414339412 /nfs/dbraw/zinc/33/94/12/414339412.db2.gz ALEGEWGEMJBULL-OAHLLOKOSA-N 2 0 279.428 1.508 10 0 CDAERP OC1(CC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCC1 ZINC000657460122 414358627 /nfs/dbraw/zinc/35/86/27/414358627.db2.gz RPFWBKSHFZJTSF-UHFFFAOYSA-N 2 0 272.352 1.662 10 0 CDAERP C[NH+](C)CC(C)(C)C[NH2+]C[C@@H](O)COC1CCCCC1 ZINC000037847754 173802715 /nfs/dbraw/zinc/80/27/15/173802715.db2.gz RTHOMVORTOKYSP-CQSZACIVSA-N 2 0 286.460 1.874 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CNC(=O)N(CC)[C@H]2CC[NH+](C)C2)C1 ZINC000663787846 414462574 /nfs/dbraw/zinc/46/25/74/414462574.db2.gz LXWVEZHILFSMKZ-GJZGRUSLSA-N 2 0 296.459 1.454 10 0 CDAERP O[C@@H]1CC[N@@H+](C2CC[NH+](CC[C@@H]3CCCCO3)CC2)C1 ZINC000662149741 414537654 /nfs/dbraw/zinc/53/76/54/414537654.db2.gz QFBSIXIXRBSALK-CVEARBPZSA-N 2 0 282.428 1.477 10 0 CDAERP CC[NH+](CC)CCCN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662152178 414539716 /nfs/dbraw/zinc/53/97/16/414539716.db2.gz QFMQLBYBHYVQKC-MRXNPFEDSA-N 2 0 283.460 1.249 10 0 CDAERP C[N@H+](CCc1cccs1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662256866 414591560 /nfs/dbraw/zinc/59/15/60/414591560.db2.gz LYFNLTDFRHNBPU-LBPRGKRZSA-N 2 0 266.410 1.743 10 0 CDAERP C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662257928 414592512 /nfs/dbraw/zinc/59/25/12/414592512.db2.gz HCADQIHXYGERPP-IIAWOOMASA-N 2 0 296.455 1.674 10 0 CDAERP FC(F)(F)C[C@H]1C[N@H+](CC2CC[NH2+]CC2)CCO1 ZINC000662231382 414578137 /nfs/dbraw/zinc/57/81/37/414578137.db2.gz OFYOQEIIEAETOP-NSHDSACASA-N 2 0 266.307 1.639 10 0 CDAERP C[NH+](C)CCC[C@H]1C[N@H+](CC2CC[NH2+]CC2)CCO1 ZINC000662232153 414578188 /nfs/dbraw/zinc/57/81/88/414578188.db2.gz WMQYOSXVHAOVMR-HNNXBMFYSA-N 3 0 269.433 1.029 10 0 CDAERP CO[C@H](CN1CCO[C@H]([C@H](C)[NH3+])C1)C1CCCCC1 ZINC000662247599 414583180 /nfs/dbraw/zinc/58/31/80/414583180.db2.gz GPUXWPWVGFEHKK-AEGPPILISA-N 2 0 270.417 1.630 10 0 CDAERP c1cnc2c(n1)CC[N@@H+](CCCC1CC[NH2+]CC1)C2 ZINC000662314914 414634290 /nfs/dbraw/zinc/63/42/90/414634290.db2.gz BTPPJFWEOQNQBG-UHFFFAOYSA-N 2 0 260.385 1.615 10 0 CDAERP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)N2CC[NH2+]CC2)CC(C)(C)C1 ZINC000038031109 174024420 /nfs/dbraw/zinc/02/44/20/174024420.db2.gz XEPUBJWXVLGINA-ZIAGYGMSSA-N 2 0 281.444 1.565 10 0 CDAERP Cc1cc(C)cc(C[NH+]2CCN(CCC[NH3+])CC2)c1 ZINC000038076709 174087356 /nfs/dbraw/zinc/08/73/56/174087356.db2.gz TUQXDMSSWAFGBT-UHFFFAOYSA-N 2 0 261.413 1.770 10 0 CDAERP CC[NH+]1CCC(N[C@@H](C)[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000038098042 174112720 /nfs/dbraw/zinc/11/27/20/174112720.db2.gz WZFLQCMUXAMPIU-UONOGXRCSA-N 2 0 253.434 1.791 10 0 CDAERP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)CCO1 ZINC000662322882 414640993 /nfs/dbraw/zinc/64/09/93/414640993.db2.gz JCKIBTPDCVMXSU-PMPSAXMXSA-N 2 0 284.444 1.844 10 0 CDAERP O=C([C@@H]1CCC[N@@H+]1CCc1ccccc1)N1CC[NH2+]CC1 ZINC000040508080 174302839 /nfs/dbraw/zinc/30/28/39/174302839.db2.gz VILINXBKMCUEEX-INIZCTEOSA-N 2 0 287.407 1.125 10 0 CDAERP CCC1CCC([N@@H+]2CCC[C@H]2C(=O)N2CC[NH2+]CC2)CC1 ZINC000040508063 174303067 /nfs/dbraw/zinc/30/30/67/174303067.db2.gz TWTKFWQZQGVRHL-GPANFISMSA-N 2 0 293.455 1.851 10 0 CDAERP CC[C@H](C)[NH2+]CC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000040624571 174356559 /nfs/dbraw/zinc/35/65/59/174356559.db2.gz OINHGFTYCOKRDR-STQMWFEESA-N 2 0 255.406 1.221 10 0 CDAERP CC(C)(C)NNc1[nH+]cnc(Nc2cc[nH+]cc2)c1N ZINC000040687648 174375812 /nfs/dbraw/zinc/37/58/12/174375812.db2.gz UMXHAGKFZUOTDX-UHFFFAOYSA-N 2 0 273.344 1.912 10 0 CDAERP CC[NH+](CC)CCn1cc(N[C@@H]2CCC[NH2+]C2)cn1 ZINC000043327297 175008941 /nfs/dbraw/zinc/00/89/41/175008941.db2.gz BMOCVTGFHIUBAJ-CYBMUJFWSA-N 2 0 265.405 1.389 10 0 CDAERP C[C@H]([NH3+])[C@@H](c1ccccn1)N1CC[NH+](C(C)(C)C)CC1 ZINC000043340018 175013647 /nfs/dbraw/zinc/01/36/47/175013647.db2.gz HTIHYWPWIWSVNV-ZFWWWQNUSA-N 2 0 276.428 1.886 10 0 CDAERP CC(C)CN(CC[NH+](C)C)[C@@H](C[NH3+])c1ccncc1 ZINC000043354815 175022509 /nfs/dbraw/zinc/02/25/09/175022509.db2.gz FRAOTMSSNNGSBE-HNNXBMFYSA-N 2 0 264.417 1.601 10 0 CDAERP CC(C)CN(CC[NH+](C)C)[C@H](c1ccncc1)[C@@H](C)[NH3+] ZINC000043354818 175022668 /nfs/dbraw/zinc/02/26/68/175022668.db2.gz JOKJXKQMQJTCKL-ZBFHGGJFSA-N 2 0 278.444 1.990 10 0 CDAERP CCCCNC(=O)[C@H](C)[N@H+](CCC[NH3+])CC(C)C ZINC000043417348 175038078 /nfs/dbraw/zinc/03/80/78/175038078.db2.gz VHZZLTIJEZXJGB-ZDUSSCGKSA-N 2 0 257.422 1.598 10 0 CDAERP CC[NH2+][C@H]1c2ccccc2C[C@H]1N1CCC[N@H+](C)CC1 ZINC000043818384 175112845 /nfs/dbraw/zinc/11/28/45/175112845.db2.gz KDEPEGBUIPBCMD-SJORKVTESA-N 2 0 273.424 1.899 10 0 CDAERP C[NH2+][C@H]1c2ccccc2CC[C@H]1N1CCC[N@H+](C)CC1 ZINC000043818253 175112981 /nfs/dbraw/zinc/11/29/81/175112981.db2.gz HBVRAQUJXZCJEF-SJORKVTESA-N 2 0 273.424 1.899 10 0 CDAERP CC[NH2+][C@H]1CCCC[C@H]1N1CCC([NH+](C)C)CC1 ZINC000043897479 175120387 /nfs/dbraw/zinc/12/03/87/175120387.db2.gz SDDANGIKWLCNCE-LSDHHAIUSA-N 2 0 253.434 1.933 10 0 CDAERP CCC[NH+]1CCN([C@@H](c2ccncc2)[C@@H](C)[NH3+])CC1 ZINC000044419049 175173845 /nfs/dbraw/zinc/17/38/45/175173845.db2.gz OVGMBZUZHFPUPZ-UKRRQHHQSA-N 2 0 262.401 1.498 10 0 CDAERP [NH3+]CC1CC[NH+](Cc2cc(=O)oc3cc(O)ccc23)CC1 ZINC000044514197 175189189 /nfs/dbraw/zinc/18/91/89/175189189.db2.gz KZRFDAAJMMBCBK-UHFFFAOYSA-N 2 0 288.347 1.669 10 0 CDAERP CCC[NH2+]CC(=O)N[C@H](C)CCC[NH+](CC)CC ZINC000044646704 175223202 /nfs/dbraw/zinc/22/32/02/175223202.db2.gz KMEMYRHDKGVSTK-CYBMUJFWSA-N 2 0 257.422 1.613 10 0 CDAERP C[NH+]1CCC(NC(=O)[C@H](C[NH3+])Cc2ccccc2)CC1 ZINC000044800962 175255797 /nfs/dbraw/zinc/25/57/97/175255797.db2.gz ZWNQHTKSOTXANF-AWEZNQCLSA-N 2 0 275.396 1.014 10 0 CDAERP CCCC(C[NH3+])(CCC)C(=O)NCC(C)(C)[NH+](C)C ZINC000044808271 175256901 /nfs/dbraw/zinc/25/69/01/175256901.db2.gz CAARVJOUTSZQDV-UHFFFAOYSA-N 2 0 271.449 1.988 10 0 CDAERP C[NH+](C)C(C)(C)CNC(=O)[C@H](C[NH3+])Cc1ccccc1 ZINC000044808278 175256944 /nfs/dbraw/zinc/25/69/44/175256944.db2.gz BPBDOTCXGTVRNX-AWEZNQCLSA-N 2 0 277.412 1.260 10 0 CDAERP CCC[C@@H](C[NH3+])C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000044995397 175287250 /nfs/dbraw/zinc/28/72/50/175287250.db2.gz WPMGQLHYMOWFHQ-OLZOCXBDSA-N 2 0 255.406 1.352 10 0 CDAERP COCC[C@](C)(C[NH3+])N1CCC([NH+]2CCCCC2)CC1 ZINC000045043376 175294755 /nfs/dbraw/zinc/29/47/55/175294755.db2.gz HVVRSNAKLCJODE-MRXNPFEDSA-N 2 0 283.460 1.691 10 0 CDAERP Cc1nn(C)c(C)c1[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C)C1 ZINC000045171425 175320974 /nfs/dbraw/zinc/32/09/74/175320974.db2.gz NWEITENULLEIOT-MFKMUULPSA-N 2 0 250.390 1.639 10 0 CDAERP CCC[NH2+][C@](C)(CCC[NH+]1CCCCCC1)C(N)=O ZINC000045377549 175367011 /nfs/dbraw/zinc/36/70/11/175367011.db2.gz AAOFYEZUQRFOTI-OAHLLOKOSA-N 2 0 269.433 1.886 10 0 CDAERP CC[NH2+][C@@H]1CCCN(CC[NH+]2CCCCC2)C1=O ZINC000071032244 176022805 /nfs/dbraw/zinc/02/28/05/176022805.db2.gz WPVDKVNETMXXIB-CYBMUJFWSA-N 2 0 253.390 1.073 10 0 CDAERP CCC[NH+]1CCC(N2CCC[C@H]([NH2+]C)C2=O)CC1 ZINC000071032027 176022995 /nfs/dbraw/zinc/02/29/95/176022995.db2.gz DESXQWTYVCGLSF-ZDUSSCGKSA-N 2 0 253.390 1.071 10 0 CDAERP C[NH2+][C@H]1CCCN([C@@H](CC(C)C)C[NH+](C)C)C1=O ZINC000071031984 176023133 /nfs/dbraw/zinc/02/31/33/176023133.db2.gz QTXGBZGJRWZZSR-STQMWFEESA-N 2 0 255.406 1.173 10 0 CDAERP CC[NH2+][C@H]1CCCN(CC[NH+]2CCCCC2)C1=O ZINC000071032245 176023432 /nfs/dbraw/zinc/02/34/32/176023432.db2.gz WPVDKVNETMXXIB-ZDUSSCGKSA-N 2 0 253.390 1.073 10 0 CDAERP CC(C)[NH2+][C@H]1CCCN([C@@H](C[NH+](C)C)C(C)C)C1=O ZINC000071034292 176024477 /nfs/dbraw/zinc/02/44/77/176024477.db2.gz UWFJOBXJGLRTPB-KBPBESRZSA-N 2 0 269.433 1.562 10 0 CDAERP CCC[NH2+][C@H]1CCN([C@@H](C)C[NH+]2CCCCC2)C1=O ZINC000071037383 176025721 /nfs/dbraw/zinc/02/57/21/176025721.db2.gz ZHJNKOBTZVLVCY-KBPBESRZSA-N 2 0 267.417 1.461 10 0 CDAERP CCC[NH2+][C@@H](C)C1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000071182592 176057610 /nfs/dbraw/zinc/05/76/10/176057610.db2.gz JGWJWWDKHVURFL-GXTWGEPZSA-N 2 0 267.417 1.317 10 0 CDAERP CCC(CC)(C[NH3+])C(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189100 176064297 /nfs/dbraw/zinc/06/42/97/176064297.db2.gz NDWTWBURVPMBRT-GFCCVEGCSA-N 2 0 255.406 1.162 10 0 CDAERP CCC[NH2+]Cc1c(C)nn(C)c1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071190049 176065905 /nfs/dbraw/zinc/06/59/05/176065905.db2.gz UWKNYFXAWXDVCB-CQSZACIVSA-N 2 0 293.459 1.616 10 0 CDAERP C[N@H+](C[C@@H]1CC[NH+](C)C1)C[C@@](C)(CO)c1ccccc1 ZINC000071191551 176070477 /nfs/dbraw/zinc/07/04/77/176070477.db2.gz WCOVOWJWOVNBCH-WBVHZDCISA-N 2 0 276.424 1.820 10 0 CDAERP C[C@@H](C[NH2+]C[C@@H]1CCCO1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192186 176073291 /nfs/dbraw/zinc/07/32/91/176073291.db2.gz QXNUSNFNOSODNU-ZNMIVQPWSA-N 2 0 269.433 1.027 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000071193266 176075058 /nfs/dbraw/zinc/07/50/58/176075058.db2.gz DNMNBPPIUZUZDE-RDBSUJKOSA-N 2 0 267.417 1.304 10 0 CDAERP C[NH2+][C@@H]1CCCN(C[C@@H](c2cccc(OC)c2)[NH+](C)C)C1 ZINC000071198486 176077352 /nfs/dbraw/zinc/07/73/52/176077352.db2.gz ZXHUDMPKRVLSMR-WBVHZDCISA-N 2 0 291.439 1.982 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CN1CCC[C@H]([NH2+]C2CC2)C1 ZINC000071200681 176077953 /nfs/dbraw/zinc/07/79/53/176077953.db2.gz TXSFRRBDNSTNAN-LSDHHAIUSA-N 2 0 251.418 1.687 10 0 CDAERP CC[NH+]1CCN(Cc2ccc(F)cc2C(N)=[NH2+])CC1 ZINC000071267596 176100894 /nfs/dbraw/zinc/10/08/94/176100894.db2.gz HXYWYSXZSDOIHN-UHFFFAOYSA-N 2 0 264.348 1.247 10 0 CDAERP C[NH2+]CCCCCC[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000071290021 176110744 /nfs/dbraw/zinc/11/07/44/176110744.db2.gz IBFVMDAERAKGQK-OAHLLOKOSA-N 2 0 269.433 1.173 10 0 CDAERP C[C@@H]1C[C@@H]([NH3+])CC[C@@H]1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000071380174 176144408 /nfs/dbraw/zinc/14/44/08/176144408.db2.gz HSGHSVURKNIPFH-IPYPFGDCSA-N 2 0 281.444 1.741 10 0 CDAERP C[C@H]([NH3+])[C@@H](c1cccs1)N1CC[NH+](CC(C)(C)O)CC1 ZINC000071380220 176144587 /nfs/dbraw/zinc/14/45/87/176144587.db2.gz SMDGXNQGUOGMNU-JSGCOSHPSA-N 2 0 297.468 1.525 10 0 CDAERP Cc1ccc([C@H]([C@H](C)[NH3+])N2CC[NH+](CC(C)(C)O)CC2)o1 ZINC000071380309 176144854 /nfs/dbraw/zinc/14/48/54/176144854.db2.gz VZSKHBWGSCSOQI-ZFWWWQNUSA-N 2 0 295.427 1.365 10 0 CDAERP CN(CCC[NH+](C)C)c1nc2ccccc2cc1C(N)=[NH2+] ZINC000071390242 176148318 /nfs/dbraw/zinc/14/83/18/176148318.db2.gz ZJFMHNNWIAYKMW-UHFFFAOYSA-N 2 0 285.395 1.907 10 0 CDAERP COc1ccc(CC[N@@H+]2CCO[C@H](CC[NH3+])C2)cc1 ZINC000071597002 176220464 /nfs/dbraw/zinc/22/04/64/176220464.db2.gz PWGVVEPGJJJARB-OAHLLOKOSA-N 2 0 264.369 1.287 10 0 CDAERP CCN1CC[NH+](C[C@@H](CC[NH3+])c2cccn2C)CC1 ZINC000076680393 177058350 /nfs/dbraw/zinc/05/83/50/177058350.db2.gz RUJUPZCBTJUTKB-CQSZACIVSA-N 2 0 264.417 1.095 10 0 CDAERP CCC[C@H](CC[NH3+])CCC(=O)N[C@@H](C)CC[NH+](C)C ZINC000079240758 177454191 /nfs/dbraw/zinc/45/41/91/177454191.db2.gz XJCSZKJKAPOUDV-KBPBESRZSA-N 2 0 271.449 1.988 10 0 CDAERP CC(C)(C[NH3+])C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000518181122 260351407 /nfs/dbraw/zinc/35/14/07/260351407.db2.gz WUMGEJFWUWDVOW-UHFFFAOYSA-N 2 0 253.390 1.104 10 0 CDAERP Cc1cc(NC[C@@H]2C[NH2+]CCCO2)c2ccccc2[nH+]1 ZINC000390216164 262158399 /nfs/dbraw/zinc/15/83/99/262158399.db2.gz MKMZTUZOALUPKZ-ZDUSSCGKSA-N 2 0 271.364 1.756 10 0 CDAERP CC[C@@H](CC(F)F)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000662237357 423771642 /nfs/dbraw/zinc/77/16/42/423771642.db2.gz ITXJGIKPFNGQFV-NSHDSACASA-N 2 0 277.359 1.031 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001666988478 1173218218 /nfs/dbraw/zinc/21/82/18/1173218218.db2.gz YOZDHYOFJIGOMF-HUUCEWRRSA-N 2 0 283.460 1.975 10 0 CDAERP C[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C[C@H]1CCCCO1 ZINC000662251362 423795305 /nfs/dbraw/zinc/79/53/05/423795305.db2.gz AQNVNNBIVSHIRG-CHWSQXEVSA-N 2 0 254.374 1.008 10 0 CDAERP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C[C@H]2C[NH2+]CCO2)C1 ZINC000662261698 423806490 /nfs/dbraw/zinc/80/64/90/423806490.db2.gz ABXOPSHYZUSOCT-IAGOWNOFSA-N 2 0 289.423 1.181 10 0 CDAERP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cn(C)nc1-c1ccncc1 ZINC000663499426 423889924 /nfs/dbraw/zinc/88/99/24/423889924.db2.gz ZWIYPEAQUBWHEK-OAHLLOKOSA-N 2 0 287.411 1.945 10 0 CDAERP C[C@@H]1C[C@H](C)[N@H+](CCO[C@@H]2CC2(F)F)C[C@H]1C[NH3+] ZINC000662282642 423880423 /nfs/dbraw/zinc/88/04/23/423880423.db2.gz IHHMIUXMSRLSOE-WRWGMCAJSA-N 2 0 262.344 1.716 10 0 CDAERP CCC[C@H](C)C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000651891181 423857513 /nfs/dbraw/zinc/85/75/13/423857513.db2.gz KUKJOYMNMKEPQZ-ZDUSSCGKSA-N 2 0 255.406 1.128 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662310974 423945616 /nfs/dbraw/zinc/94/56/16/423945616.db2.gz XDKKVBAOAJSCQK-YESZJQIVSA-N 2 0 296.455 1.580 10 0 CDAERP C[NH+](C)CCC[C@H]1C[N@H+](CCC2(O)CCC2)CCO1 ZINC000662326353 423958719 /nfs/dbraw/zinc/95/87/19/423958719.db2.gz SBBFCKVFLDGTMQ-AWEZNQCLSA-N 2 0 270.417 1.334 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000652214837 424069463 /nfs/dbraw/zinc/06/94/63/424069463.db2.gz UIIFGCPFMYYCQX-KGLIPLIRSA-N 2 0 284.448 1.262 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000652202155 424050083 /nfs/dbraw/zinc/05/00/83/424050083.db2.gz BFSOLXJGJNBULW-ZDUSSCGKSA-N 2 0 290.411 1.205 10 0 CDAERP COCCOCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000070481618 424143181 /nfs/dbraw/zinc/14/31/81/424143181.db2.gz KRCDRPYOLFPSKG-KGLIPLIRSA-N 2 0 256.390 1.113 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000652223250 424101348 /nfs/dbraw/zinc/10/13/48/424101348.db2.gz AQEMPDXNGPYCRI-OLZOCXBDSA-N 2 0 272.437 1.389 10 0 CDAERP C[C@]12COC[C@@H]1C[N@H+](CCC[NH+]1CCCCC1)C2 ZINC000661698379 424184138 /nfs/dbraw/zinc/18/41/38/424184138.db2.gz BCICYIHLUJEWHK-GJZGRUSLSA-N 2 0 252.402 1.831 10 0 CDAERP C[C@@H](CCNc1nc(N)[nH+]c2c1CCCC2)[NH+](C)C ZINC000664243885 424189627 /nfs/dbraw/zinc/18/96/27/424189627.db2.gz GUWGCAFSCLJDPS-JTQLQIEISA-N 2 0 263.389 1.690 10 0 CDAERP CCC[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662592363 424211180 /nfs/dbraw/zinc/21/11/80/424211180.db2.gz JBGZJZNYYPXGDP-VXGBXAGGSA-N 2 0 255.406 1.350 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000662558064 424171485 /nfs/dbraw/zinc/17/14/85/424171485.db2.gz SMBRHBWZSNNYDB-FRRDWIJNSA-N 2 0 255.406 1.112 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000653054166 424177321 /nfs/dbraw/zinc/17/73/21/424177321.db2.gz AWGBQWMVAJGLOK-SWLSCSKDSA-N 2 0 275.396 1.712 10 0 CDAERP c1nncn1CC1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000652353522 424286170 /nfs/dbraw/zinc/28/61/70/424286170.db2.gz OFABZEKGFVEKLM-AWEZNQCLSA-N 2 0 277.416 1.380 10 0 CDAERP C[C@@H](C[NH2+]CCF)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001667059144 1173227789 /nfs/dbraw/zinc/22/77/89/1173227789.db2.gz NXYPQKWTLOWALY-ZDUSSCGKSA-N 2 0 273.396 1.268 10 0 CDAERP COCCC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652363398 424313731 /nfs/dbraw/zinc/31/37/31/424313731.db2.gz DALFQOJDNSFJPD-BFHYXJOUSA-N 2 0 256.390 1.384 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653150527 424379859 /nfs/dbraw/zinc/37/98/59/424379859.db2.gz FAAPTGQIQHYMAE-AEGPPILISA-N 2 0 281.444 1.754 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000660865128 424418931 /nfs/dbraw/zinc/41/89/31/424418931.db2.gz DZMGOIUZOCHYAO-AWEZNQCLSA-N 2 0 298.475 1.890 10 0 CDAERP N[C@H](C(=O)N1CC[NH+]2CCC1CC2)c1ccc(F)cc1F ZINC000662793074 424483386 /nfs/dbraw/zinc/48/33/86/424483386.db2.gz USTYBOOYLZNQCK-AWEZNQCLSA-N 2 0 295.333 1.271 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]([NH3+])CC2CCCCC2)C1 ZINC000655488962 424504394 /nfs/dbraw/zinc/50/43/94/424504394.db2.gz KBBUBKPXIVJWEP-QLFBSQMISA-N 2 0 281.444 1.741 10 0 CDAERP C[C@H](CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)[NH+](C)C ZINC000662858680 424532839 /nfs/dbraw/zinc/53/28/39/424532839.db2.gz HJPZTRASGVFXIY-RFGFWPKPSA-N 2 0 267.417 1.364 10 0 CDAERP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000051692690 424547619 /nfs/dbraw/zinc/54/76/19/424547619.db2.gz YKJTVTYRKKDRFS-OIKLOGQESA-N 2 0 274.368 1.777 10 0 CDAERP CCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001667238561 1173248744 /nfs/dbraw/zinc/24/87/44/1173248744.db2.gz MTDJQMYQKQNUBD-HUUCEWRRSA-N 2 0 281.444 1.851 10 0 CDAERP CCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001667238562 1173249255 /nfs/dbraw/zinc/24/92/55/1173249255.db2.gz MTDJQMYQKQNUBD-LSDHHAIUSA-N 2 0 281.444 1.851 10 0 CDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C1(C)C[NH2+]C1 ZINC000399223208 270370824 /nfs/dbraw/zinc/37/08/24/270370824.db2.gz WTKBWNGVXDOINL-CYBMUJFWSA-N 2 0 275.396 1.233 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000516058794 270457795 /nfs/dbraw/zinc/45/77/95/270457795.db2.gz OKINBIQCQAFYDT-CYBMUJFWSA-N 2 0 285.432 1.073 10 0 CDAERP C[C@]1(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])COc2ccccc2O1 ZINC000530208660 271151255 /nfs/dbraw/zinc/15/12/55/271151255.db2.gz GOBIEUQVMVTGGC-ZENOOKHLSA-N 2 0 276.380 1.934 10 0 CDAERP CC(C)(C[NH2+][C@H]1CCCCC[C@H]1[NH3+])C(=O)N1CCCC1 ZINC000530223659 271165390 /nfs/dbraw/zinc/16/53/90/271165390.db2.gz OKDKAAJJMSRUKM-KGLIPLIRSA-N 2 0 281.444 1.885 10 0 CDAERP CC(C)c1ccc(CC[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000263180851 273562561 /nfs/dbraw/zinc/56/25/61/273562561.db2.gz GSTFTHODMBNRBQ-HOTGVXAUSA-N 2 0 262.397 1.522 10 0 CDAERP CC[NH+](CC)CCC[N@@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000451305680 276096731 /nfs/dbraw/zinc/09/67/31/276096731.db2.gz QRWIYCLQOLQPQR-OAGGEKHMSA-N 2 0 284.444 1.580 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000417832198 276106552 /nfs/dbraw/zinc/10/65/52/276106552.db2.gz KXFHCCXSMDFYLD-CHWSQXEVSA-N 2 0 267.417 1.398 10 0 CDAERP C[C@@H](F)CC[NH2+]CC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001668280093 1173391580 /nfs/dbraw/zinc/39/15/80/1173391580.db2.gz ZINLKZBYOXUBSI-CHWSQXEVSA-N 2 0 285.407 1.315 10 0 CDAERP CC(C)c1ccc([C@H]([NH3+])CNC(=O)C2C[NH2+]C2)cc1 ZINC000262266042 278049156 /nfs/dbraw/zinc/04/91/56/278049156.db2.gz SBSXZDUUYIUXQQ-CQSZACIVSA-N 2 0 261.369 1.145 10 0 CDAERP CC(=O)NC1CCC([N@H+](C)C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261929101 278087262 /nfs/dbraw/zinc/08/72/62/278087262.db2.gz CNVKYLUBPULSCW-YMAMQOFZSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@@]1(CN2CC[NH+](CC3CCOCC3)CC2)CC[NH2+]C1 ZINC000262012393 278121917 /nfs/dbraw/zinc/12/19/17/278121917.db2.gz MJVLVHAYIPPHBR-MRXNPFEDSA-N 2 0 281.444 1.030 10 0 CDAERP CS[C@@H]1CC[C@H]1[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000425363866 278147502 /nfs/dbraw/zinc/14/75/02/278147502.db2.gz WXAQHWSIVSVDPZ-JHJVBQTASA-N 2 0 285.457 1.057 10 0 CDAERP C[C@H]([NH3+])C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000157968894 278223944 /nfs/dbraw/zinc/22/39/44/278223944.db2.gz NUVQGNBVFCNLGH-HSBZDZAISA-N 2 0 267.417 1.493 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000261558553 278311302 /nfs/dbraw/zinc/31/13/02/278311302.db2.gz YKKBPDYFZMRTOM-ZIAGYGMSSA-N 2 0 261.413 1.976 10 0 CDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000261539198 279283086 /nfs/dbraw/zinc/28/30/86/279283086.db2.gz BUROCNLNFHBISM-BMFZPTHFSA-N 2 0 289.423 1.751 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000418200773 279379074 /nfs/dbraw/zinc/37/90/74/279379074.db2.gz QPRIKDXLZIFVBD-MELADBBJSA-N 2 0 282.432 1.251 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[C@@H]2C[NH3+])[C@@H](C)C1 ZINC000261817825 279397216 /nfs/dbraw/zinc/39/72/16/279397216.db2.gz SLBRDMCHQLRBEL-GBJTYRQASA-N 2 0 281.444 1.550 10 0 CDAERP CCO[C@@H]1C[C@@H]([NH2+]CCC[NH+](C)C)C12CCOCC2 ZINC000186200313 279928790 /nfs/dbraw/zinc/92/87/90/279928790.db2.gz JBJUWPXJZBFSHC-ZIAGYGMSSA-N 2 0 270.417 1.502 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+](CC(C)C)CC2)C1 ZINC000194172539 280026463 /nfs/dbraw/zinc/02/64/63/280026463.db2.gz KLACUUUEVBEGRX-OAHLLOKOSA-N 2 0 296.459 1.454 10 0 CDAERP CC[NH+]1CCC[C@H](N[C@@H]2CC[N@@H+](CC)C[C@H]2C)C1 ZINC000246976913 280313358 /nfs/dbraw/zinc/31/33/58/280313358.db2.gz JKNWLRCJLCZQHK-QLFBSQMISA-N 2 0 253.434 1.791 10 0 CDAERP O[C@H](CN1CC[C@H](C[NH+]2CCCC2)C1)C(F)(F)F ZINC000248579477 280365888 /nfs/dbraw/zinc/36/58/88/280365888.db2.gz OGWIGWBVCJNMKL-GHMZBOCLSA-N 2 0 266.307 1.327 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCC1CC[NH2+]CC1 ZINC000094460024 288301392 /nfs/dbraw/zinc/30/13/92/288301392.db2.gz ZGFOSIYJGLWNPV-UKRRQHHQSA-N 2 0 279.428 1.461 10 0 CDAERP CC[C@H]1C[C@H](C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CCO1 ZINC000426005321 281237930 /nfs/dbraw/zinc/23/79/30/281237930.db2.gz RWLGPKUNTGYGSC-KBXIAJHMSA-N 2 0 252.402 1.685 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000414943369 288322887 /nfs/dbraw/zinc/32/28/87/288322887.db2.gz NSMNLHIZBGKRHS-GZBLMMOJSA-N 2 0 251.418 1.495 10 0 CDAERP CCN(CC[NH2+]CC1CCC1)C(=O)CC[NH+](C)C ZINC001668542519 1173426464 /nfs/dbraw/zinc/42/64/64/1173426464.db2.gz QDKJMKSBJBVDEZ-UHFFFAOYSA-N 2 0 255.406 1.176 10 0 CDAERP C[NH+](C)C1(CNC(=O)[C@@H]2CCC[C@H]2[NH3+])CCCCC1 ZINC000085370710 282040053 /nfs/dbraw/zinc/04/00/53/282040053.db2.gz NDGQRYYXELFMMR-CHWSQXEVSA-N 2 0 267.417 1.495 10 0 CDAERP C[NH+](C)C1(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CCCCC1 ZINC000089459334 289054651 /nfs/dbraw/zinc/05/46/51/289054651.db2.gz KLSFTSPDAFUJDD-ZIAGYGMSSA-N 2 0 281.444 1.742 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CCCC[NH3+] ZINC000094446984 289061184 /nfs/dbraw/zinc/06/11/84/289061184.db2.gz LNFHMKXDAMPESG-CHWSQXEVSA-N 2 0 253.390 1.201 10 0 CDAERP C[C@H](C[NH2+][C@@H](C)[C@@H]1CC1(C)C)CN1CC[NH+](C)CC1 ZINC000487324209 289689110 /nfs/dbraw/zinc/68/91/10/289689110.db2.gz TVXHCFAWIUWLPT-ILXRZTDVSA-N 2 0 267.461 1.894 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NCC2([NH+](C)C)CCCC2)C1 ZINC000557524762 290350266 /nfs/dbraw/zinc/35/02/66/290350266.db2.gz LYBPARKWXWUPSQ-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000423021615 293097696 /nfs/dbraw/zinc/09/76/96/293097696.db2.gz CNUXBVKNYIAKPZ-YJNKXOJESA-N 2 0 282.428 1.678 10 0 CDAERP CC(C)CC1(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CC1 ZINC000565476519 293619077 /nfs/dbraw/zinc/61/90/77/293619077.db2.gz QZSXAGVHZNEHTN-OAHLLOKOSA-N 2 0 283.460 1.011 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000565833759 293693443 /nfs/dbraw/zinc/69/34/43/293693443.db2.gz QZOVRJVMWWELFP-SOUVJXGZSA-N 2 0 253.434 1.966 10 0 CDAERP CCC[NH2+][C@@H](C)C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000569014021 294142935 /nfs/dbraw/zinc/14/29/35/294142935.db2.gz IFIQIXCJWGPWLE-DCBWTQNWSA-N 2 0 253.390 1.104 10 0 CDAERP C[C@@H](NC[C@@H](O)C[NH+]1CCCC1)c1cn2ccccc2n1 ZINC000570224999 294199388 /nfs/dbraw/zinc/19/93/88/294199388.db2.gz JSJSTEGWRWEKKZ-ZIAGYGMSSA-N 2 0 288.395 1.442 10 0 CDAERP COc1ccccc1[C@H]1C[NH2+]CCN1C[C@@H]1CCC[NH2+]C1 ZINC000262160024 295413051 /nfs/dbraw/zinc/41/30/51/295413051.db2.gz GVFQAKVXWCJMSB-GDBMZVCRSA-N 2 0 289.423 1.641 10 0 CDAERP O=C(NCC[C@H]1CCC[NH2+]1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000418556221 295654370 /nfs/dbraw/zinc/65/43/70/295654370.db2.gz XPWFPWPHEMHTJI-LSDHHAIUSA-N 2 0 294.443 1.256 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000418622902 297106016 /nfs/dbraw/zinc/10/60/16/297106016.db2.gz VPAWOLHZCFTACN-KBXIAJHMSA-N 2 0 294.443 1.110 10 0 CDAERP O=C(N[C@H]1CCCC[NH2+]C1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000333467930 303949666 /nfs/dbraw/zinc/94/96/66/303949666.db2.gz ALKCUMBTPOGBBD-AWEZNQCLSA-N 2 0 294.443 1.304 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@H](C)NC(=O)CCc1cncn1C ZINC001669728725 1173590136 /nfs/dbraw/zinc/59/01/36/1173590136.db2.gz NXSBPLZJBOYPTG-RYUDHWBXSA-N 2 0 284.379 1.195 10 0 CDAERP CCCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001669750466 1173594069 /nfs/dbraw/zinc/59/40/69/1173594069.db2.gz LARPGOGCHKSLHN-UONOGXRCSA-N 2 0 269.433 1.755 10 0 CDAERP CO[C@H](C)C[NH2+]CCCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001670201192 1173662607 /nfs/dbraw/zinc/66/26/07/1173662607.db2.gz QBGSIJLDSZMANM-CQSZACIVSA-N 2 0 299.459 1.334 10 0 CDAERP CC[NH2+]C[C@]1(C)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001671785878 1173712871 /nfs/dbraw/zinc/71/28/71/1173712871.db2.gz ZHWAFTPQWQVWNT-ZFWWWQNUSA-N 2 0 267.417 1.176 10 0 CDAERP C[C@@H](C[C@@H]1COCC[NH2+]1)NCC1([NH3+])CCCCCC1 ZINC000566088325 316470943 /nfs/dbraw/zinc/47/09/43/316470943.db2.gz RIWAUNXEPICFIE-UONOGXRCSA-N 2 0 269.433 1.395 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1[NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000576695451 317187714 /nfs/dbraw/zinc/18/77/14/317187714.db2.gz SGTXUAFXBMYNEG-LXTVHRRPSA-N 2 0 279.428 1.637 10 0 CDAERP C[C@@H](CCNC(=O)N1CC[C@@H]([NH+](C)C)C1)[NH+]1CCCCC1 ZINC000182662088 323292359 /nfs/dbraw/zinc/29/23/59/323292359.db2.gz VUDJJPFWWNKHNV-LSDHHAIUSA-N 2 0 296.459 1.596 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000578759486 324017103 /nfs/dbraw/zinc/01/71/03/324017103.db2.gz PTSGVGUCWRBJGH-AWEZNQCLSA-N 2 0 275.396 1.450 10 0 CDAERP CC[C@@H]1C[N@H+](CC)CCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC000579978648 324337396 /nfs/dbraw/zinc/33/73/96/324337396.db2.gz YJHPMKSROKSBGK-ZIAGYGMSSA-N 2 0 267.417 1.271 10 0 CDAERP [NH3+]CC12CCC(CC1)CN2C(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000584120805 327044127 /nfs/dbraw/zinc/04/41/27/327044127.db2.gz YYCUJNWRZIGGNV-MNQCNDSGSA-N 2 0 299.418 1.603 10 0 CDAERP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)CC[NH2+]C1CC1 ZINC000584479935 329499469 /nfs/dbraw/zinc/49/94/69/329499469.db2.gz MINPVILTNQXBAN-OAHLLOKOSA-N 2 0 273.380 1.213 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001713300077 1159751191 /nfs/dbraw/zinc/75/11/91/1159751191.db2.gz GPZSNMOXXLAMFY-STQMWFEESA-N 2 0 255.406 1.221 10 0 CDAERP CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001481972330 1159959430 /nfs/dbraw/zinc/95/94/30/1159959430.db2.gz LUIAZMXXRZEPEH-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001482118665 1159983909 /nfs/dbraw/zinc/98/39/09/1159983909.db2.gz ZRNRUHONVWTYJD-ZIAGYGMSSA-N 2 0 299.434 1.705 10 0 CDAERP CC[C@H](C(=O)N(C)CCC[NH2+]C[C@@H]1CCCCO1)[NH+](C)C ZINC001268799881 1160017322 /nfs/dbraw/zinc/01/73/22/1160017322.db2.gz HGVZDLGSFYMQOD-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP CN(Cc1ccnn1-c1cc[nH+]cc1)C[C@H]1CCC[N@@H+]1C ZINC000668245237 482251304 /nfs/dbraw/zinc/25/13/04/482251304.db2.gz XJJFZDMQCUVBHQ-OAHLLOKOSA-N 2 0 285.395 1.793 10 0 CDAERP c1cn(C[C@@H]2CC[N@H+](Cc3cccc4nccn43)C2)nn1 ZINC000668453285 482443517 /nfs/dbraw/zinc/44/35/17/482443517.db2.gz QZJWYEFRBWIIEX-CYBMUJFWSA-N 2 0 282.351 1.448 10 0 CDAERP C[N@@H+](Cc1cc(-n2ccnc2)cs1)C[C@@H]1COCCO1 ZINC000668545082 482473469 /nfs/dbraw/zinc/47/34/69/482473469.db2.gz LVBDESSBNQEUKC-CYBMUJFWSA-N 2 0 293.392 1.781 10 0 CDAERP [NH3+]CC1(O)CC[NH+](CCSc2ccc(F)cc2)CC1 ZINC000397074858 482499519 /nfs/dbraw/zinc/49/95/19/482499519.db2.gz NYCLOWLGRREOPT-UHFFFAOYSA-N 2 0 284.400 1.703 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)Nc1cccc(C[NH3+])c1 ZINC000669508323 482512425 /nfs/dbraw/zinc/51/24/25/482512425.db2.gz FSEJXVRRYDPSCD-ZDUSSCGKSA-N 2 0 261.369 1.862 10 0 CDAERP [NH3+]C[C@H](C(=O)NC[C@@H]1CCCC[NH2+]1)c1ccc(F)cc1 ZINC000669509633 482515096 /nfs/dbraw/zinc/51/50/96/482515096.db2.gz KAKKPGMQOCPGSS-KBPBESRZSA-N 2 0 279.359 1.126 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000669514597 482535688 /nfs/dbraw/zinc/53/56/88/482535688.db2.gz SCOWTPHYFJPBLX-RYUDHWBXSA-N 2 0 253.390 1.023 10 0 CDAERP C[C@H]1CC[NH2+][C@H](C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)C1 ZINC000669518338 482546053 /nfs/dbraw/zinc/54/60/53/482546053.db2.gz NRLZNONQTTWZHL-HZMBPMFUSA-N 2 0 291.370 1.798 10 0 CDAERP CC[C@H](C[NH+]1CCCC1)NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000669529882 482598785 /nfs/dbraw/zinc/59/87/85/482598785.db2.gz HRUJBXIAYBLDEF-HIFRSBDPSA-N 2 0 294.443 1.397 10 0 CDAERP CNC(=O)c1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000334181856 482709389 /nfs/dbraw/zinc/70/93/89/482709389.db2.gz DKKVGLZJZIOKPV-KRWDZBQOSA-N 2 0 287.407 1.622 10 0 CDAERP C[C@H](CC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)C1CC[NH2+]CC1 ZINC000334267571 482715912 /nfs/dbraw/zinc/71/59/12/482715912.db2.gz NVIDPQLJILQTGD-PBHICJAKSA-N 2 0 293.455 1.614 10 0 CDAERP [NH3+]Cc1ccc(C(=O)NCCC[NH2+]Cc2cccnc2)o1 ZINC000237908526 482784238 /nfs/dbraw/zinc/78/42/38/482784238.db2.gz FYDZCYRBGQXVOK-UHFFFAOYSA-N 2 0 288.351 1.043 10 0 CDAERP COc1cc(C)c(C[NH2+][C@@H]2CCC[NH2+]CC2)c(C)n1 ZINC000666856569 482952351 /nfs/dbraw/zinc/95/23/51/482952351.db2.gz QWDZGSMRHOZDOZ-CYBMUJFWSA-N 2 0 263.385 1.939 10 0 CDAERP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC/C=C\C[NH3+] ZINC000669409516 482956144 /nfs/dbraw/zinc/95/61/44/482956144.db2.gz JIICMXRQTBUUCZ-RVFNEKRJSA-N 2 0 282.432 1.167 10 0 CDAERP C[C@@H]1CN(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC[NH2+]1 ZINC000667148657 483110269 /nfs/dbraw/zinc/11/02/69/483110269.db2.gz LGIPVCNAYVTSKX-LLVKDONJSA-N 2 0 286.339 1.093 10 0 CDAERP Cc1nc2cc(NC(=O)C[C@H]3CC[NH2+]C3)ccc2[nH]1 ZINC000089742900 483128761 /nfs/dbraw/zinc/12/87/61/483128761.db2.gz WTCZPDYLWWDRIC-SNVBAGLBSA-N 2 0 258.325 1.809 10 0 CDAERP C[NH2+]C(C)(C)CNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000678894068 483213174 /nfs/dbraw/zinc/21/31/74/483213174.db2.gz UGYWPMTZIUKHIU-UHFFFAOYSA-N 2 0 288.355 1.387 10 0 CDAERP COCCC[NH+]1CCC([NH2+][C@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667827016 483452059 /nfs/dbraw/zinc/45/20/59/483452059.db2.gz LSOUUYKCBSZXRT-CVEARBPZSA-N 2 0 282.428 1.644 10 0 CDAERP C(C[NH+]1CCC12CCOCC2)C[N@@H+]1CCC12CCOCC2 ZINC000683525507 483566793 /nfs/dbraw/zinc/56/67/93/483566793.db2.gz ZUVLGDDTDGTDCT-UHFFFAOYSA-N 2 0 294.439 1.886 10 0 CDAERP CCN(CC[NH2+]CC[C@H](C)F)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001482944468 1160650459 /nfs/dbraw/zinc/65/04/59/1160650459.db2.gz GAUAFJAYPFTEFY-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)OCC[N@H+]1CC=C(CNC(=O)CC[NH+](C)C)CC1 ZINC001677598271 1174377592 /nfs/dbraw/zinc/37/75/92/1174377592.db2.gz ANBCUEVNSXMJHK-UHFFFAOYSA-N 2 0 297.443 1.111 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)CC[NH2+]Cc1csc(C)c1 ZINC001691566712 1160701658 /nfs/dbraw/zinc/70/16/58/1160701658.db2.gz AYVVSQMJEGXTKU-UHFFFAOYSA-N 2 0 297.468 1.946 10 0 CDAERP C([NH2+]C1CC1)[C@@H]1CC[C@H](C[NH+]2CCSCC2)O1 ZINC000052443288 518398172 /nfs/dbraw/zinc/39/81/72/518398172.db2.gz YMBDDIJSBUWEQS-QWHCGFSZSA-N 2 0 256.415 1.335 10 0 CDAERP CC(C)[NH2+][C@](C)(C[C@@H](C)N1CCC[C@@H]1C[NH+](C)C)C(N)=O ZINC000068642847 519739944 /nfs/dbraw/zinc/73/99/44/519739944.db2.gz VZBXDUKDVCOEBA-IIAWOOMASA-N 2 0 298.475 1.033 10 0 CDAERP CC(C)C[NH2+]CCC[C@@H](C)[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061654962 519743619 /nfs/dbraw/zinc/74/36/19/519743619.db2.gz ZTFIPEQMTIXTGJ-QGZVFWFLSA-N 3 0 298.519 1.580 10 0 CDAERP CC(C)C[NH2+]CC[C@@H](C)N1CC[NH+](C2CC2)CC1 ZINC000052371444 519744258 /nfs/dbraw/zinc/74/42/58/519744258.db2.gz JGAWMFIFTNTCLW-CQSZACIVSA-N 2 0 253.434 1.791 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000049220751 519793284 /nfs/dbraw/zinc/79/32/84/519793284.db2.gz KTBUIGGGGMLEKF-KGLIPLIRSA-N 2 0 263.385 1.389 10 0 CDAERP CCC[NH2+]CC1(C[N@H+](C)CCOC)CCOCC1 ZINC000052197720 519910175 /nfs/dbraw/zinc/91/01/75/519910175.db2.gz WJHFIBOYIYDREY-UHFFFAOYSA-N 2 0 258.406 1.361 10 0 CDAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCCN(C)C1 ZINC000054628672 519911046 /nfs/dbraw/zinc/91/10/46/519911046.db2.gz RKFHHDYPXCRUKN-JALIKCBVSA-N 2 0 251.418 1.686 10 0 CDAERP CC[NH2+]CCC[C@H](C)[N@H+](CCCOC)CCOC ZINC000052543277 519920094 /nfs/dbraw/zinc/92/00/94/519920094.db2.gz OABGRYXYUDMLNF-AWEZNQCLSA-N 2 0 260.422 1.750 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@@H](COCC[NH+]2CCCC2)O1 ZINC000052670450 519953432 /nfs/dbraw/zinc/95/34/32/519953432.db2.gz MHXJPBRQMZKYLB-KBPBESRZSA-N 2 0 256.390 1.256 10 0 CDAERP CC[NH+](CC)CCc1nc(C)cc(C[C@@H](C)[NH3+])n1 ZINC000054835340 520711078 /nfs/dbraw/zinc/71/10/78/520711078.db2.gz MULDETGRABAYES-LLVKDONJSA-N 2 0 250.390 1.559 10 0 CDAERP CC[NH+]1CCN(c2cc(Cl)ccc2C(N)=[NH2+])CC1 ZINC000062788770 521696181 /nfs/dbraw/zinc/69/61/81/521696181.db2.gz XMGRMPYDBAGVIY-UHFFFAOYSA-N 2 0 266.776 1.766 10 0 CDAERP C[NH+](C)CCN1CCN(C[C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000061653802 521764638 /nfs/dbraw/zinc/76/46/38/521764638.db2.gz IRXFJZAUGFZOPX-JKSUJKDBSA-N 2 0 282.476 1.073 10 0 CDAERP C(CN1CCC([NH+]2CCCCC2)CC1)[NH2+]C1CCOCC1 ZINC000062767751 518386792 /nfs/dbraw/zinc/38/67/92/518386792.db2.gz BLHLWVWGARIAEG-UHFFFAOYSA-N 2 0 295.471 1.705 10 0 CDAERP CC(C)(C)[NH2+]CC1(C[N@@H+]2CCC[C@H](O)C2)CCOCC1 ZINC000052197496 518753650 /nfs/dbraw/zinc/75/36/50/518753650.db2.gz NVTUZSWHWZHSGA-AWEZNQCLSA-N 2 0 284.444 1.628 10 0 CDAERP CC(C)(C)[NH2+]C[C@H]1CCN([C@@H]2C[NH+]3CCC2CC3)C1 ZINC000053012382 518762652 /nfs/dbraw/zinc/76/26/52/518762652.db2.gz JQTBVUOOFRICHO-UKRRQHHQSA-N 2 0 265.445 1.791 10 0 CDAERP CC(C)[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C)[C@@H]([NH3+])C2)CC1 ZINC000055129195 519680148 /nfs/dbraw/zinc/68/01/48/519680148.db2.gz TVXUZPIJFGIWSI-RDBSUJKOSA-N 2 0 267.417 1.303 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)[C@H]1CC[C@H]([NH3+])C[C@@H]1C ZINC000055134799 519716115 /nfs/dbraw/zinc/71/61/15/519716115.db2.gz GGKXBXSKMLPTQW-KKUMJFAQSA-N 2 0 283.460 1.796 10 0 CDAERP CC(C)C[N@H+](CCN(C)C)C[C@@H]1CC[C@H](C[NH3+])O1 ZINC000052503350 519716308 /nfs/dbraw/zinc/71/63/08/519716308.db2.gz GEPRYUSEGRVPJY-KGLIPLIRSA-N 2 0 257.422 1.012 10 0 CDAERP CC(C)C[NH+](CCn1cc(C[NH3+])nn1)CC(C)C ZINC000052484961 519717412 /nfs/dbraw/zinc/71/74/12/519717412.db2.gz AWNUJKOOMPBGCA-UHFFFAOYSA-N 2 0 253.394 1.351 10 0 CDAERP CC(C)[NH2+]C[C@H]1CC[C@H](C[NH+]2CCSCC2)O1 ZINC000052443285 519725620 /nfs/dbraw/zinc/72/56/20/519725620.db2.gz FTRSFLXWOKZVEX-CHWSQXEVSA-N 2 0 258.431 1.581 10 0 CDAERP CC(C)[NH2+]C[C@H]1CC[C@H](C[N@H+](C)C[C@@H]2CCCO2)O1 ZINC000052541064 519725757 /nfs/dbraw/zinc/72/57/57/519725757.db2.gz YPSSRCDKCRAVBC-QLFBSQMISA-N 2 0 270.417 1.643 10 0 CDAERP CC(C)C[NH2+]C[C@]1(CN2CCC[C@@H]2C[NH+](C)C)CCOC1 ZINC000061653488 519746655 /nfs/dbraw/zinc/74/66/55/519746655.db2.gz MJLCFGZLWSDDMC-SJORKVTESA-N 2 0 297.487 1.665 10 0 CDAERP CC(C)[C@@H](CNC(=O)CC[C@H]1CCCC[NH2+]1)[NH+](C)C ZINC000050950053 519794441 /nfs/dbraw/zinc/79/44/41/519794441.db2.gz MUWNCSBHDWMSJA-ZIAGYGMSSA-N 2 0 269.433 1.611 10 0 CDAERP CCC[NH+]1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000055124598 519856496 /nfs/dbraw/zinc/85/64/96/519856496.db2.gz ZKUTYSVGRWYETF-MELADBBJSA-N 2 0 267.417 1.304 10 0 CDAERP CC[NH2+]CCC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000061296973 519916214 /nfs/dbraw/zinc/91/62/14/519916214.db2.gz FQNFNINZYZANCB-CYBMUJFWSA-N 2 0 255.406 1.224 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@@H](CN2CCC([NH+](C)C)CC2)O1 ZINC000052477791 519938250 /nfs/dbraw/zinc/93/82/50/519938250.db2.gz CMLXSXDNCQOCMA-CVEARBPZSA-N 2 0 283.460 1.560 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@H](C[N@H+](CCC)CCN(C)C)O1 ZINC000052544260 519938420 /nfs/dbraw/zinc/93/84/20/519938420.db2.gz CMMJECBNQCOHMR-HZPDHXFCSA-N 2 0 285.476 1.807 10 0 CDAERP CC[NH2+]Cc1ccc(CN2CCC[C@@H]2C[NH+](C)C)o1 ZINC000061654487 519996255 /nfs/dbraw/zinc/99/62/55/519996255.db2.gz KDAIJQNEVSCOSN-CYBMUJFWSA-N 2 0 265.401 1.915 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000061272288 520061479 /nfs/dbraw/zinc/06/14/79/520061479.db2.gz RRVOLPHIIPHVPI-QWHCGFSZSA-N 2 0 253.390 1.071 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000061273557 520065312 /nfs/dbraw/zinc/06/53/12/520065312.db2.gz CGWRFNSVRTZGKG-DZGCQCFKSA-N 2 0 277.412 1.794 10 0 CDAERP CCC[NH2+][C@H]1CCC[C@H]1CN1CCN(CC[NH+](C)C)CC1 ZINC000061653773 520095078 /nfs/dbraw/zinc/09/50/78/520095078.db2.gz BHGUINGFDBCQOM-IRXDYDNUSA-N 2 0 296.503 1.334 10 0 CDAERP CC[NH+](CC)CCNC(=O)[C@H]1CC[C@H]([NH3+])C[C@@H]1C ZINC000055123019 520679938 /nfs/dbraw/zinc/67/99/38/520679938.db2.gz DFNAKPFSLCURBB-AVGNSLFASA-N 2 0 255.406 1.208 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)[C@H](C[NH3+])Cc1ccccc1 ZINC000045708890 520732990 /nfs/dbraw/zinc/73/29/90/520732990.db2.gz LPCLIJMTSYFMRR-HOCLYGCPSA-N 2 0 291.439 1.651 10 0 CDAERP CC[NH+](CC)C[C@H](O)CN[C@H](CC(C)C)C[NH+](C)C ZINC000049555621 520737479 /nfs/dbraw/zinc/73/74/79/520737479.db2.gz DIUDDXHLSLPARW-HUUCEWRRSA-N 2 0 273.465 1.255 10 0 CDAERP CCC[C@H](C)NC(=O)CN1CCC[N@H+](CCCC[NH3+])CC1 ZINC000049287657 521045588 /nfs/dbraw/zinc/04/55/88/521045588.db2.gz XXLKQLKPPUYTKO-HNNXBMFYSA-N 2 0 298.475 1.038 10 0 CDAERP CC[N@H+](CCO)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052182124 521098309 /nfs/dbraw/zinc/09/83/09/521098309.db2.gz RCNNPIQLCWIVBK-UHFFFAOYSA-N 2 0 258.406 1.095 10 0 CDAERP CC[NH+]1CCC(N(C)Cc2ccnc(C[NH3+])c2)CC1 ZINC000068750262 521565125 /nfs/dbraw/zinc/56/51/25/521565125.db2.gz XHDPRXREAUFPHF-UHFFFAOYSA-N 2 0 262.401 1.456 10 0 CDAERP CC[NH+]1CCN([C@H]2C[C@@H](C(C)C)CC[C@@H]2[NH3+])CC1 ZINC000054554512 521695870 /nfs/dbraw/zinc/69/58/70/521695870.db2.gz FFKKGXHJQLAHKU-KKUMJFAQSA-N 2 0 253.434 1.776 10 0 CDAERP C[NH+](C)CCN1CCN([C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000061642423 521768438 /nfs/dbraw/zinc/76/84/38/521768438.db2.gz KZGGPQULZUDTPL-MRXNPFEDSA-N 2 0 294.418 1.005 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000061645149 521831796 /nfs/dbraw/zinc/83/17/96/521831796.db2.gz PCEWFBZZRVPPHK-HOCLYGCPSA-N 2 0 275.396 1.413 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1c1ccc(C[NH2+]C2CC2)cn1 ZINC000061654226 521843112 /nfs/dbraw/zinc/84/31/12/521843112.db2.gz FXBUNHZMWASQBH-HNNXBMFYSA-N 2 0 274.412 1.864 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)COc1ccccc1C[NH3+] ZINC000061642261 521861195 /nfs/dbraw/zinc/86/11/95/521861195.db2.gz PSDYUEYTAWQIFL-CQSZACIVSA-N 2 0 291.395 1.077 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1CC[NH2+]Cc1ccco1 ZINC000061655183 521869661 /nfs/dbraw/zinc/86/96/61/521869661.db2.gz AUFBSUVHSPJBKY-CYBMUJFWSA-N 2 0 251.374 1.395 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1c1ccc(Cl)c(C[NH3+])n1 ZINC000061654326 521873753 /nfs/dbraw/zinc/87/37/53/521873753.db2.gz PGDOQXYRMSUNFQ-SNVBAGLBSA-N 2 0 268.792 1.724 10 0 CDAERP C[NH2+]C(C)(C)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000061318286 521935628 /nfs/dbraw/zinc/93/56/28/521935628.db2.gz QEFNXBDRNBJDNI-ZDUSSCGKSA-N 2 0 263.385 1.404 10 0 CDAERP C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C[C@@H]1CCC[N@H+](C)C1 ZINC000054602480 521953359 /nfs/dbraw/zinc/95/33/59/521953359.db2.gz OQIKZTYIAIMWOC-WZYMTQMTSA-N 2 0 265.445 1.933 10 0 CDAERP C[NH2+]CC(C)(C)CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000062970644 521966034 /nfs/dbraw/zinc/96/60/34/521966034.db2.gz GQGRKVJZSRMTCT-CQSZACIVSA-N 2 0 253.434 1.792 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)[C@@H](C[NH3+])C(C)C)CC1 ZINC000055071294 522112742 /nfs/dbraw/zinc/11/27/42/522112742.db2.gz XEUMOUFPJSAJAD-OLZOCXBDSA-N 2 0 255.406 1.160 10 0 CDAERP CC[C@@H](C)[NH+]1CCN([C@@]2(C[NH3+])CCCSC2)CC1 ZINC000061590317 522132482 /nfs/dbraw/zinc/13/24/82/522132482.db2.gz OUHIKTCMJRIQIG-ZIAGYGMSSA-N 2 0 271.474 1.627 10 0 CDAERP C[NH2+][C@H](CN1CCN(CC[NH+](C)C)CC1)c1ccccc1 ZINC000061643863 522467630 /nfs/dbraw/zinc/46/76/30/522467630.db2.gz VYUKHHFNFWSNKL-QGZVFWFLSA-N 2 0 290.455 1.126 10 0 CDAERP C[NH2+][C@H]1CCOC[C@@H]1N1CCC(C[NH+]2CCCC2)CC1 ZINC000062051821 522505112 /nfs/dbraw/zinc/50/51/12/522505112.db2.gz BOYQKAIYIGREPA-HOTGVXAUSA-N 2 0 281.444 1.171 10 0 CDAERP C[NH+]1CCC(CCNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000157221595 523759917 /nfs/dbraw/zinc/75/99/17/523759917.db2.gz ODCGORDWONVKFP-UONOGXRCSA-N 2 0 267.417 1.352 10 0 CDAERP C[NH+]1CCN([C@@H](C[NH3+])c2ccc3ncccc3c2)CC1 ZINC000069502178 523916228 /nfs/dbraw/zinc/91/62/28/523916228.db2.gz CNQNCZJVXPJYTC-INIZCTEOSA-N 2 0 270.380 1.482 10 0 CDAERP CC[C@H](C)[NH+]1CCN(Cc2ccoc2C[NH2+]C)CC1 ZINC000055073664 523957153 /nfs/dbraw/zinc/95/71/53/523957153.db2.gz CUQJSXOVIFKJJJ-ZDUSSCGKSA-N 2 0 265.401 1.915 10 0 CDAERP CC[C@H](C)[NH+]1CCN(c2cnc(C(C)C)nc2C[NH3+])CC1 ZINC000055073600 523961036 /nfs/dbraw/zinc/96/10/36/523961036.db2.gz SGVLCKBCTNXNTB-ZDUSSCGKSA-N 2 0 291.443 1.979 10 0 CDAERP C[NH+](C)C1CCN(Cc2csc(C[NH3+])n2)CC1 ZINC000052477691 524040017 /nfs/dbraw/zinc/04/00/17/524040017.db2.gz IFKSXSHZNBQCEK-UHFFFAOYSA-N 2 0 254.403 1.128 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000055087430 524038310 /nfs/dbraw/zinc/03/83/10/524038310.db2.gz WCWKMQFPVVPTIO-CHWSQXEVSA-N 2 0 253.390 1.057 10 0 CDAERP C[NH+](C)CC(C)(C)CNC(=O)C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000055125312 524045742 /nfs/dbraw/zinc/04/57/42/524045742.db2.gz PTPSUIMROMWDMZ-OLZOCXBDSA-N 2 0 269.433 1.598 10 0 CDAERP C[NH+](C)CCCOc1cccc(Cl)c1C(N)=[NH2+] ZINC000052907599 524058233 /nfs/dbraw/zinc/05/82/33/524058233.db2.gz AMRCLIALTDZZNM-UHFFFAOYSA-N 2 0 255.749 1.955 10 0 CDAERP C[C@H](CC[NH2+]C(C)(C)C)N1CCN(CC[NH+](C)C)CC1 ZINC000061655029 524193568 /nfs/dbraw/zinc/19/35/68/524193568.db2.gz BCTVIWRQVZXLAA-OAHLLOKOSA-N 2 0 284.492 1.332 10 0 CDAERP C[C@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000055131579 524204625 /nfs/dbraw/zinc/20/46/25/524204625.db2.gz UKFLYQIJBYCROY-RFQIPJPRSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@@H]1CCC[N@H+](CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000339262855 524226132 /nfs/dbraw/zinc/22/61/32/524226132.db2.gz HNRCHRPSEOVMHX-ILXRZTDVSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000055090909 524331806 /nfs/dbraw/zinc/33/18/06/524331806.db2.gz BJTJPXALMJKUHU-RDBSUJKOSA-N 2 0 267.417 1.495 10 0 CDAERP C[C@@H]1CCC[C@H](C(=O)N2CC[NH+](C3CCCC3)CC2)[C@@H]1[NH3+] ZINC000055132620 524344400 /nfs/dbraw/zinc/34/44/00/524344400.db2.gz IYHLCHTVZSGOEM-VNQPRFMTSA-N 2 0 293.455 1.837 10 0 CDAERP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]1[C@@H](C)CCC[C@@H]1[NH3+] ZINC000055140869 524470733 /nfs/dbraw/zinc/47/07/33/524470733.db2.gz XYSFWWIRFLZDBB-ZDEQEGDKSA-N 2 0 255.406 1.206 10 0 CDAERP C[C@@H](CC[NH2+]C1CC1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515498 524499672 /nfs/dbraw/zinc/49/96/72/524499672.db2.gz FXPRDSUCMVASKO-ZDUSSCGKSA-N 3 0 253.434 1.791 10 0 CDAERP C[C@@H]1CC[C@H]1NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000358294022 524713122 /nfs/dbraw/zinc/71/31/22/524713122.db2.gz WRNYTCDJKQSWIN-HUUCEWRRSA-N 2 0 298.475 1.700 10 0 CDAERP C[C@]([NH3+])(C(=O)NCC[NH+]1CCCCCC1)c1ccccc1 ZINC000052882639 525144368 /nfs/dbraw/zinc/14/43/68/525144368.db2.gz CQGOSJYCKWMMBD-QGZVFWFLSA-N 2 0 289.423 1.853 10 0 CDAERP C[C@@]([NH3+])(C(=O)N[C@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC000052881186 525748118 /nfs/dbraw/zinc/74/81/18/525748118.db2.gz ILKNOZIYLWLFNG-HOCLYGCPSA-N 2 0 273.380 1.071 10 0 CDAERP Cc1ccc([C@@H](C[NH3+])N2CCN(CC[NH+](C)C)CC2)cc1 ZINC000061642353 525757504 /nfs/dbraw/zinc/75/75/04/525757504.db2.gz RJLFRZDEWYGNQS-QGZVFWFLSA-N 2 0 290.455 1.174 10 0 CDAERP C[NH2+]C[C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)C1 ZINC000262279108 536454068 /nfs/dbraw/zinc/45/40/68/536454068.db2.gz WUCAGDXAOFTUTM-OFQRWUPVSA-N 2 0 279.428 1.224 10 0 CDAERP Cc1nc(N(C)[C@@H]2CCC[N@H+](C)C2)sc1C[NH3+] ZINC000054998273 526951572 /nfs/dbraw/zinc/95/15/72/526951572.db2.gz JXVCMYDKPWIQKT-SNVBAGLBSA-N 2 0 254.403 1.441 10 0 CDAERP [NH3+]C1CCC(CCC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]23)CC1 ZINC000055139289 527139727 /nfs/dbraw/zinc/13/97/27/527139727.db2.gz IEGTTXYYTVYNIB-CVSAEHQPSA-N 2 0 279.428 1.637 10 0 CDAERP [NH3+]Cc1cc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)co1 ZINC000188076446 527245403 /nfs/dbraw/zinc/24/54/03/527245403.db2.gz ILIROZKSQNTMJV-UHFFFAOYSA-N 2 0 291.395 1.686 10 0 CDAERP [NH3+]Cc1ncccc1CN1CCC([NH+]2CCCCC2)CC1 ZINC000061656657 527265190 /nfs/dbraw/zinc/26/51/90/527265190.db2.gz QMYKCJWJDPWRSL-UHFFFAOYSA-N 2 0 288.439 1.991 10 0 CDAERP Cc1ncc(C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cn1 ZINC000339284809 527270653 /nfs/dbraw/zinc/27/06/53/527270653.db2.gz TZLUEVDFTQWOKI-INIZCTEOSA-N 2 0 291.443 1.147 10 0 CDAERP CCCN(C(=O)NC[C@@H](C)[NH+](CC)CC)[C@H]1CC[NH2+]C1 ZINC000417010311 535219021 /nfs/dbraw/zinc/21/90/21/535219021.db2.gz PAJOLSDRELUKGD-KGLIPLIRSA-N 2 0 284.448 1.500 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCc1cccc(F)c1 ZINC000234721059 536594548 /nfs/dbraw/zinc/59/45/48/536594548.db2.gz DFJBKWPQLGONTO-CQSZACIVSA-N 2 0 254.349 1.712 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000422741820 536850570 /nfs/dbraw/zinc/85/05/70/536850570.db2.gz PDARSBQNGMIMBA-CABCVRRESA-N 3 0 271.449 1.450 10 0 CDAERP COC(=O)[C@H]1C[NH2+]CC12CC[NH+](CC(C)C)CC2 ZINC000757184871 574901672 /nfs/dbraw/zinc/90/16/72/574901672.db2.gz NEDVPHCEMQESOH-GFCCVEGCSA-N 2 0 254.374 1.117 10 0 CDAERP Cc1nn(C)c2sc([C@@H]3C[NH2+]CC[C@@H]3[NH3+])cc12 ZINC000757215894 574907512 /nfs/dbraw/zinc/90/75/12/574907512.db2.gz OJELUPQABGHRJM-ZJUUUORDSA-N 2 0 250.371 1.347 10 0 CDAERP Cc1nn(C)c2sc([C@@H]3C[NH2+]CC[C@H]3[NH3+])cc12 ZINC000757215880 574907605 /nfs/dbraw/zinc/90/76/05/574907605.db2.gz OJELUPQABGHRJM-NXEZZACHSA-N 2 0 250.371 1.347 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)CC[NH+]2CCCC2)[C@H](C)C1 ZINC000760864266 576518603 /nfs/dbraw/zinc/51/86/03/576518603.db2.gz YDHHOSAOVXGGGF-CABCVRRESA-N 2 0 253.434 1.744 10 0 CDAERP COC(=O)/C(C)=C\CN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000748825933 576928150 /nfs/dbraw/zinc/92/81/50/576928150.db2.gz ZVTJMTMAVPKQDG-IIEJUSTOSA-N 2 0 280.412 1.769 10 0 CDAERP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cn[nH]c2)C[C@@H](C)O1 ZINC000749915769 576968027 /nfs/dbraw/zinc/96/80/27/576968027.db2.gz PTLHLUUNZKVDIP-CHWSQXEVSA-N 2 0 266.389 1.389 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCCF)C2)CC[N@@H+]1C ZINC001688910262 1175063762 /nfs/dbraw/zinc/06/37/62/1175063762.db2.gz XBOFXWRDEMHSRW-ZQDZILKHSA-N 2 0 299.434 1.561 10 0 CDAERP C[NH+](C)C1(CNC(=O)[C@H]2CCCC[C@@H]2[NH3+])CCCC1 ZINC000125656859 1175403098 /nfs/dbraw/zinc/40/30/98/1175403098.db2.gz YKELAEQGBNUDIS-STQMWFEESA-N 2 0 267.417 1.495 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000926687519 617447972 /nfs/dbraw/zinc/44/79/72/617447972.db2.gz ZCBRTAGKTCAFCT-KBPBESRZSA-N 2 0 294.443 1.710 10 0 CDAERP CCCCOCCOCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925527713 617454621 /nfs/dbraw/zinc/45/46/21/617454621.db2.gz WQZVKPNFIZCEDY-UONOGXRCSA-N 2 0 270.417 1.679 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925540956 617481673 /nfs/dbraw/zinc/48/16/73/617481673.db2.gz JLARFHRUOYDTKW-QLFBSQMISA-N 3 0 285.476 1.839 10 0 CDAERP COCCOCCCC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925541336 617483427 /nfs/dbraw/zinc/48/34/27/617483427.db2.gz KXBWCXXDOHPYMM-KGLIPLIRSA-N 2 0 272.433 1.925 10 0 CDAERP C[C@H]1COC[C@H](C)C1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000926358461 617498874 /nfs/dbraw/zinc/49/88/74/617498874.db2.gz ZDLYZEINDSDDLB-KBPBESRZSA-N 2 0 283.460 1.273 10 0 CDAERP C(C[NH2+][C@H]1CC[NH2+]C12CCC2)COC1CCOCC1 ZINC000925569890 617518588 /nfs/dbraw/zinc/51/85/88/617518588.db2.gz AXLPAFHVHASMPE-AWEZNQCLSA-N 2 0 268.401 1.446 10 0 CDAERP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)C(=O)NC(C)(C)C ZINC000925600655 617543715 /nfs/dbraw/zinc/54/37/15/617543715.db2.gz HXDBEINIMHQBOO-TUAOUCFPSA-N 2 0 269.433 1.785 10 0 CDAERP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)C(=O)NC(C)(C)C ZINC000925600653 617543992 /nfs/dbraw/zinc/54/39/92/617543992.db2.gz HXDBEINIMHQBOO-SDDRHHMPSA-N 2 0 269.433 1.785 10 0 CDAERP C[C@@](O)(C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)C1CC1 ZINC000925609509 617553871 /nfs/dbraw/zinc/55/38/71/617553871.db2.gz VDXPWDJWDKVGJN-QVHKTLOISA-N 2 0 252.402 1.514 10 0 CDAERP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@H](CCO)c1ccco1)[NH2+]2 ZINC000925639861 617584225 /nfs/dbraw/zinc/58/42/25/617584225.db2.gz DZBWNRHSQLSKDE-XVIXHAIJSA-N 2 0 264.369 1.822 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925669933 617627655 /nfs/dbraw/zinc/62/76/55/617627655.db2.gz ZDZSMCIDNDMWFC-RDBSUJKOSA-N 2 0 253.434 1.966 10 0 CDAERP CCOCCOCC[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000931682997 617641307 /nfs/dbraw/zinc/64/13/07/617641307.db2.gz CVPUYOLUIRNQEC-HNNXBMFYSA-N 2 0 293.411 1.645 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000925799454 617730510 /nfs/dbraw/zinc/73/05/10/617730510.db2.gz VBKGILWIPMTXLA-MRVWCRGKSA-N 2 0 262.401 1.706 10 0 CDAERP COCC1(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)CC[NH2+]CC1 ZINC000925700867 617746766 /nfs/dbraw/zinc/74/67/66/617746766.db2.gz SZHMAKXWBBFTNK-CQSZACIVSA-N 3 0 281.444 1.267 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1nccc2c1CCCC2 ZINC000925808026 617748144 /nfs/dbraw/zinc/74/81/44/617748144.db2.gz XDUCAMRIDJNLCO-AWEZNQCLSA-N 2 0 277.412 1.804 10 0 CDAERP Cc1cc([C@@H](C)[NH2+]CCN2CCC([NH3+])CC2)no1 ZINC000925810213 617752189 /nfs/dbraw/zinc/75/21/89/617752189.db2.gz CSFPEKSPAKLZEE-LLVKDONJSA-N 2 0 252.362 1.057 10 0 CDAERP Cc1cccc2c1CC[C@H]2[NH2+]CCN1CCC([NH3+])CC1 ZINC000925810480 617752841 /nfs/dbraw/zinc/75/28/41/617752841.db2.gz OFBIRXPUIZPJHE-QGZVFWFLSA-N 2 0 273.424 1.995 10 0 CDAERP CCO[C@@H]1C[C@@H]([NH2+]CCN2CCC([NH3+])CC2)C1(CC)CC ZINC000925813892 617761719 /nfs/dbraw/zinc/76/17/19/617761719.db2.gz DGZBMHOTVAYHAD-HZPDHXFCSA-N 2 0 297.487 1.983 10 0 CDAERP C[C@H](CC1CCCC1)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925814323 617763057 /nfs/dbraw/zinc/76/30/57/617763057.db2.gz HTENJZGBGUFKRD-CYBMUJFWSA-N 2 0 253.434 1.968 10 0 CDAERP CO[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)[C@@H]1CCOC1 ZINC000925714133 617822844 /nfs/dbraw/zinc/82/28/44/617822844.db2.gz OKSMLQCQMGTXRH-QBPKDAKJSA-N 2 0 296.455 1.796 10 0 CDAERP C[C@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000925833363 617858876 /nfs/dbraw/zinc/85/88/76/617858876.db2.gz HIEXRLSWPBQICP-DCAQKATOSA-N 2 0 267.339 1.599 10 0 CDAERP CCO[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C[NH+](C)C ZINC000925839030 617870607 /nfs/dbraw/zinc/87/06/07/617870607.db2.gz OVDQBNOWSDUDSF-QKPAOTATSA-N 2 0 283.460 1.463 10 0 CDAERP CC[C@H](NC[C@]12CCC[C@H]1[NH2+]CC2)[C@@H]1CCC[NH2+]1 ZINC000925841031 617872866 /nfs/dbraw/zinc/87/28/66/617872866.db2.gz YGZPVGNJBYDIFV-BYNSBNAKSA-N 2 0 251.418 1.639 10 0 CDAERP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925848907 617885884 /nfs/dbraw/zinc/88/58/84/617885884.db2.gz GDLDGDYAJHNSIB-IHRRRGAJSA-N 2 0 280.412 1.696 10 0 CDAERP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@]1(C(F)(F)F)CCCN1 ZINC000925856605 617895168 /nfs/dbraw/zinc/89/51/68/617895168.db2.gz RHAIEWGWSPOFMI-UTUOFQBUSA-N 2 0 279.350 1.649 10 0 CDAERP C[C@@H](NCCc1cccc2c1OCCO2)[C@H]1CCC[NH2+]1 ZINC000925874036 617941028 /nfs/dbraw/zinc/94/10/28/617941028.db2.gz GSEYDHVOKVBMNT-TZMCWYRMSA-N 2 0 276.380 1.730 10 0 CDAERP COC[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(C)C ZINC000925874668 617942271 /nfs/dbraw/zinc/94/22/71/617942271.db2.gz UFBCDKPFZFPWMK-CBBWQLFWSA-N 2 0 254.418 1.883 10 0 CDAERP CCC[C@H](CCO)[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925726129 617956399 /nfs/dbraw/zinc/95/63/99/617956399.db2.gz ZCMCGDXQPZXHDO-MQYQWHSLSA-N 2 0 254.418 1.904 10 0 CDAERP CC1(C)CC[C@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)OC1 ZINC000925734025 618052435 /nfs/dbraw/zinc/05/24/35/618052435.db2.gz ZKNXGUSYXPPZAX-LVQVYYBASA-N 2 0 296.455 1.938 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]CCn2cnc3ccccc32)C12CCC2 ZINC000925507840 618195482 /nfs/dbraw/zinc/19/54/82/618195482.db2.gz NRUQNQFZVLZNHM-CABCVRRESA-N 2 0 270.380 1.896 10 0 CDAERP O=C1NCC[C@@H]2CCC[N@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@H]12 ZINC000923427772 618335002 /nfs/dbraw/zinc/33/50/02/618335002.db2.gz VRYVQRXNSNVQFJ-PSAQHYCVSA-N 2 0 291.439 1.508 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@H](C)C[C@@H]2CCC(=O)N2)CC1 ZINC000924956409 618397584 /nfs/dbraw/zinc/39/75/84/618397584.db2.gz WDINIWWIUPKSNI-HIFRSBDPSA-N 2 0 281.444 1.755 10 0 CDAERP CN(C)C[C@@H](O)C[NH2+]C1CC(Sc2ccccc2)C1 ZINC000924993962 618566960 /nfs/dbraw/zinc/56/69/60/618566960.db2.gz NPNZMBSIZRXUOR-OWYJLGKBSA-N 2 0 280.437 1.822 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C1CCC1)[C@H]1CCOC1 ZINC000924995430 618570015 /nfs/dbraw/zinc/57/00/15/618570015.db2.gz YYWCAEGIUUJFNZ-PVAVHDDUSA-N 2 0 295.471 1.417 10 0 CDAERP C[C@@H]1COC[C@@H](C)C1[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000925040676 618825967 /nfs/dbraw/zinc/82/59/67/618825967.db2.gz KGPMUQOKHNJMMS-KFWWJZLASA-N 2 0 295.471 1.416 10 0 CDAERP CC(C)C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C1CCOCC1 ZINC000902763721 625298357 /nfs/dbraw/zinc/29/83/57/625298357.db2.gz XZXOLCBBXTZBRG-SJORKVTESA-N 2 0 298.471 1.874 10 0 CDAERP COCC[N@H+](C)CCC[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902745781 625309892 /nfs/dbraw/zinc/30/98/92/625309892.db2.gz VKYMYIRKKWZBQC-RFBLXINOSA-N 2 0 282.428 1.358 10 0 CDAERP C[C@H](CCNCc1ccnn1-c1cc[nH+]cc1)[NH+](C)C ZINC000895293283 619525822 /nfs/dbraw/zinc/52/58/22/619525822.db2.gz YBSRYQUJXWQZFY-CYBMUJFWSA-N 2 0 273.384 1.697 10 0 CDAERP CN(CC[NH+]1CCCC1)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC000896155930 620008839 /nfs/dbraw/zinc/00/88/39/620008839.db2.gz QYIUYSSNTZTSLT-HNNXBMFYSA-N 2 0 265.401 1.027 10 0 CDAERP C[NH+]1CCC(C[NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)CC1 ZINC000902792528 625407408 /nfs/dbraw/zinc/40/74/08/625407408.db2.gz BJEFFDOYWSFAMC-RFBLXINOSA-N 2 0 264.413 1.731 10 0 CDAERP C[NH+](C)C1CC(NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC000897667604 621061131 /nfs/dbraw/zinc/06/11/31/621061131.db2.gz QRBPIPMTIZNRHF-UHFFFAOYSA-N 2 0 255.406 1.173 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+]1C(C)(C)C ZINC000898269085 621442094 /nfs/dbraw/zinc/44/20/94/621442094.db2.gz RHWHFSQXRZOUTD-AWEZNQCLSA-N 2 0 283.460 1.953 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(-n2ccnc2)nc1 ZINC000924623966 621587338 /nfs/dbraw/zinc/58/73/38/621587338.db2.gz GBOJTRAZWXLGIX-FKEKPDDDSA-N 2 0 297.406 1.697 10 0 CDAERP C[C@H](NC(=[NH2+])NCC1([NH+](C)C)CCOCC1)C1CC1 ZINC000899267930 622145535 /nfs/dbraw/zinc/14/55/35/622145535.db2.gz YXXGNTOUNJCFCM-NSHDSACASA-N 2 0 268.405 1.010 10 0 CDAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[N@@H+]1CCCC[C@H]1C ZINC000900198604 622786413 /nfs/dbraw/zinc/78/64/13/622786413.db2.gz HKFJSISQDWGRRL-KGLIPLIRSA-N 2 0 279.428 1.461 10 0 CDAERP CN1CC[C@](O)(C[NH2+][C@@H]2CCC[C@H](C3CCOCC3)C2)C1 ZINC000902954120 625689169 /nfs/dbraw/zinc/68/91/69/625689169.db2.gz QQQTVYRPTWMSOO-BBWFWOEESA-N 2 0 296.455 1.628 10 0 CDAERP C1CCC([C@H]2C[NH2+]CC[C@H]2N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC000902469655 624862886 /nfs/dbraw/zinc/86/28/86/624862886.db2.gz ZTKJJKWQHGANMP-DGXTUMSLSA-N 2 0 263.429 1.637 10 0 CDAERP CO[C@@]1(C[NH2+]C2CC[NH+](CC3CC3)CC2)CCSC1 ZINC000903309771 625969847 /nfs/dbraw/zinc/96/98/47/625969847.db2.gz HNAXQJIWKWYKEH-OAHLLOKOSA-N 2 0 284.469 1.973 10 0 CDAERP CO[C@]1(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CCSC1 ZINC000903317361 625970516 /nfs/dbraw/zinc/97/05/16/625970516.db2.gz SWIZSJJJEQMVTE-JSGCOSHPSA-N 2 0 272.458 1.971 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000903433290 625990965 /nfs/dbraw/zinc/99/09/65/625990965.db2.gz YQLJWAJPHPJAHY-YCPHGPKFSA-N 2 0 282.428 1.502 10 0 CDAERP CCO[C@@H]1C[C@H](O)C12CC[NH+](C[C@@H]1C[NH2+]C[C@H]1C)CC2 ZINC000903438967 625992345 /nfs/dbraw/zinc/99/23/45/625992345.db2.gz AAKQRHUJLBKTCE-CBBWQLFWSA-N 2 0 282.428 1.094 10 0 CDAERP CC(C)[NH+]1CCC([N@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903442723 625997480 /nfs/dbraw/zinc/99/74/80/625997480.db2.gz ZWINGUWESANRJM-KGLIPLIRSA-N 3 0 253.434 1.918 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000903453729 626001448 /nfs/dbraw/zinc/00/14/48/626001448.db2.gz JZDBPVWNUXKVGS-SNPRPXQTSA-N 3 0 251.418 1.306 10 0 CDAERP CC(=O)NC[C@H]1CCCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903474907 626005067 /nfs/dbraw/zinc/00/50/67/626005067.db2.gz UEQPRVGQQYMGLH-HZSPNIEDSA-N 2 0 253.390 1.104 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](C[C@H](OC)C1CCC1)C2 ZINC000903494359 626011322 /nfs/dbraw/zinc/01/13/22/626011322.db2.gz DSFDYIGASHQFCE-FQLMCAECSA-N 2 0 296.411 1.014 10 0 CDAERP CCOCCCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903508607 626012296 /nfs/dbraw/zinc/01/22/96/626012296.db2.gz NXPWPRZSLSTOIG-IYBDPMFKSA-N 2 0 281.444 1.314 10 0 CDAERP C[NH2+]C[C@@H]1CCCCN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000903529208 626017853 /nfs/dbraw/zinc/01/78/53/626017853.db2.gz OYCYMGNTYJYZKT-KRWDZBQOSA-N 2 0 273.424 1.906 10 0 CDAERP C(C1CC1)[NH+](CC1CC1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903728465 626066429 /nfs/dbraw/zinc/06/64/29/626066429.db2.gz BZERJTFSOGFXDC-HZPDHXFCSA-N 2 0 264.413 1.877 10 0 CDAERP C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)OC1CCSCC1 ZINC000903745935 626071038 /nfs/dbraw/zinc/07/10/38/626071038.db2.gz CKJJHBHXUYBTOF-TXEJJXNPSA-N 2 0 256.415 1.050 10 0 CDAERP C(OC1CC[NH+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1)C1CC1 ZINC000903733656 626075194 /nfs/dbraw/zinc/07/51/94/626075194.db2.gz LYVCSNUDCAQSDS-IAGOWNOFSA-N 2 0 294.439 1.646 10 0 CDAERP C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)OC1CCSCC1 ZINC000903781147 626092122 /nfs/dbraw/zinc/09/21/22/626092122.db2.gz OWZSQBPPWSUAPZ-ZFWWWQNUSA-N 2 0 284.469 1.973 10 0 CDAERP C(C1CC1)[C@@H]1COCC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903788284 626094920 /nfs/dbraw/zinc/09/49/20/626094920.db2.gz HOCVWJCHQKESRH-HZPDHXFCSA-N 2 0 294.439 1.646 10 0 CDAERP c1nnn([C@@H]2CCC[NH2+]C2)c1C[NH+]1CCCCCCC1 ZINC000903873200 626127473 /nfs/dbraw/zinc/12/74/73/626127473.db2.gz MMHKGPXAPRBUOC-CQSZACIVSA-N 2 0 277.416 1.969 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCC[C@H](C)C2)cnn1C ZINC000903873638 626127868 /nfs/dbraw/zinc/12/78/68/626127868.db2.gz WCSGBHGBVJLXSR-GXTWGEPZSA-N 2 0 264.417 1.578 10 0 CDAERP CC[N@H+](C[C@H](C[NH3+])Cc1cnn(C)c1C)C[C@H]1CCOC1 ZINC000903883977 626132187 /nfs/dbraw/zinc/13/21/87/626132187.db2.gz NOLTWWVJRZZZCL-CABCVRRESA-N 2 0 294.443 1.204 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@H+](CC2CC2)C(C)C)cnn1C ZINC000903885303 626132999 /nfs/dbraw/zinc/13/29/99/626132999.db2.gz KSSIPNALPJUYNA-HNNXBMFYSA-N 2 0 278.444 1.966 10 0 CDAERP COC(=O)CC1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903886348 626133370 /nfs/dbraw/zinc/13/33/70/626133370.db2.gz PXPPIKFCVQHSLR-GOOCMWNKSA-N 2 0 280.412 1.792 10 0 CDAERP COC(=O)C[C@H]1CCC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903895386 626135698 /nfs/dbraw/zinc/13/56/98/626135698.db2.gz NANAXMYMUOSEPN-WTUNAVPPSA-N 2 0 266.385 1.545 10 0 CDAERP CC(=O)N1CC[C@H](C[N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903899539 626138173 /nfs/dbraw/zinc/13/81/73/626138173.db2.gz TVCBZTUKIKUOOK-WZYMTQMTSA-N 2 0 279.428 1.317 10 0 CDAERP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCCC2(C1)OCCO2 ZINC000903901925 626138870 /nfs/dbraw/zinc/13/88/70/626138870.db2.gz AYRBVLLDTJJNRT-AGUYFDCRSA-N 2 0 266.385 1.356 10 0 CDAERP COC[C@](C)(CC(=O)OC)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903905232 626140702 /nfs/dbraw/zinc/14/07/02/626140702.db2.gz BHJOKGTZZLPIQZ-FLTXBFBQSA-N 2 0 284.400 1.075 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[NH2+][C@@H](C)c2ccccn2)cnn1C ZINC000903924972 626148898 /nfs/dbraw/zinc/14/88/98/626148898.db2.gz ANUBXPJDPKMCSV-JSGCOSHPSA-N 2 0 287.411 1.592 10 0 CDAERP CC(C)C[C@@H]([NH3+])CN1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000903937261 626155489 /nfs/dbraw/zinc/15/54/89/626155489.db2.gz GOAJRDXHMDYLME-HUUCEWRRSA-N 2 0 276.428 1.966 10 0 CDAERP [NH3+]CCc1ccc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000903917882 626156814 /nfs/dbraw/zinc/15/68/14/626156814.db2.gz OFTGTKOUXCNGTO-ALOPSCKCSA-N 3 0 273.424 1.808 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cc2c(s1)CC[NH2+]C2 ZINC000903979159 626170324 /nfs/dbraw/zinc/17/03/24/626170324.db2.gz XECODJWBMYZOHM-VXGBXAGGSA-N 3 0 279.453 1.729 10 0 CDAERP CCOC(=O)C(F)(F)[C@H]1CC[C@@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903964938 626171870 /nfs/dbraw/zinc/17/18/70/626171870.db2.gz YFTWZJJMVISNJQ-WRWGMCAJSA-N 2 0 290.354 1.551 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000903966782 626172229 /nfs/dbraw/zinc/17/22/29/626172229.db2.gz CADHPYMJLCKFFG-XLNGHYISSA-N 2 0 273.424 1.925 10 0 CDAERP C(N1CCC([C@H]2CCC[NH2+]CC2)CC1)C12CC(C1)C[NH2+]2 ZINC000904416776 626286639 /nfs/dbraw/zinc/28/66/39/626286639.db2.gz RNYAQUWQTGLLOZ-CKDBGZEDSA-N 2 0 277.456 1.840 10 0 CDAERP CC1(C)CCC[N@@H+]1CCNC(=[NH2+])NC[C@@H]1CCCS1 ZINC000905042769 626382126 /nfs/dbraw/zinc/38/21/26/626382126.db2.gz HDLBMQCSPGXUHU-LBPRGKRZSA-N 2 0 284.473 1.870 10 0 CDAERP C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000908194362 628064282 /nfs/dbraw/zinc/06/42/82/628064282.db2.gz ACOINDHRARTSAU-AVGNSLFASA-N 2 0 253.390 1.070 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)CNc1ccccn1 ZINC000912282880 629891470 /nfs/dbraw/zinc/89/14/70/629891470.db2.gz FWCXJEFEMCSXDO-LBPRGKRZSA-N 2 0 276.384 1.483 10 0 CDAERP C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)Cn1ccnc1 ZINC000912650493 630127165 /nfs/dbraw/zinc/12/71/65/630127165.db2.gz MQKZBBRVURYFBN-KGLIPLIRSA-N 2 0 278.400 1.604 10 0 CDAERP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]C[C@H](O)C2CC2)C1 ZINC000840745873 630692934 /nfs/dbraw/zinc/69/29/34/630692934.db2.gz PYTIFPZRWOEWET-NFAWXSAZSA-N 2 0 254.418 1.715 10 0 CDAERP C([C@@H]1CC[N@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)C1)[NH+]1CCCC1 ZINC000929695167 630708255 /nfs/dbraw/zinc/70/82/55/630708255.db2.gz GCDGXTREPXHJNG-XUWVNRHRSA-N 2 0 280.412 1.208 10 0 CDAERP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)CCC1(O)CCC1 ZINC000929723600 630712634 /nfs/dbraw/zinc/71/26/34/630712634.db2.gz UWQYUEFUPOCKDL-JKSUJKDBSA-N 2 0 298.471 1.849 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NC23CC[NH+](CC2)C3)C1 ZINC000913634661 630721037 /nfs/dbraw/zinc/72/10/37/630721037.db2.gz YMJTWIICYFWEPN-OAHLLOKOSA-N 2 0 283.391 1.163 10 0 CDAERP CC(C)[C@H]1CN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC[N@@H+]1C ZINC000913761635 630747072 /nfs/dbraw/zinc/74/70/72/630747072.db2.gz ULCFQIXAAXWKGH-OWCLPIDISA-N 2 0 293.455 1.802 10 0 CDAERP Cc1nc(C)c(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)[nH]1 ZINC000929781276 630947539 /nfs/dbraw/zinc/94/75/39/630947539.db2.gz IFXATRNISOTAKK-MFKMUULPSA-N 2 0 250.390 1.941 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NCC1([NH+](C)C)CC1 ZINC000914068786 631003538 /nfs/dbraw/zinc/00/35/38/631003538.db2.gz PXWDJTBOMFSLQD-GFCCVEGCSA-N 2 0 270.421 1.110 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)N[C@H]1CC[NH+](C)[C@@H]1C ZINC000918210517 632344099 /nfs/dbraw/zinc/34/40/99/632344099.db2.gz VFLVHMOEEAISLC-OLZOCXBDSA-N 2 0 270.421 1.110 10 0 CDAERP Cc1cnc(Cl)c(C[NH2+][C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000921704172 633215053 /nfs/dbraw/zinc/21/50/53/633215053.db2.gz IIDUPCVRZLHZFA-CYBMUJFWSA-N 2 0 296.846 1.769 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1c2c(nn1C)CCC2 ZINC000921828522 633324101 /nfs/dbraw/zinc/32/41/01/633324101.db2.gz WEYUQNJQEKQYJA-CYBMUJFWSA-N 2 0 294.443 1.355 10 0 CDAERP CC[N@H+](C)CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001690988348 1158515706 /nfs/dbraw/zinc/51/57/06/1158515706.db2.gz GZBRPGGKEWCNQN-STQMWFEESA-N 2 0 255.406 1.175 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)OC(=O)COC1CC[NH+](C)CC1 ZINC001649246088 1158774662 /nfs/dbraw/zinc/77/46/62/1158774662.db2.gz SEAHUVROEORJSN-CQSZACIVSA-N 2 0 286.416 1.227 10 0 CDAERP CC[C@@H](C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C)OC ZINC001691316817 1159013930 /nfs/dbraw/zinc/01/39/30/1159013930.db2.gz CZFQYRNVCUCLJA-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP COCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001690343534 1175445259 /nfs/dbraw/zinc/44/52/59/1175445259.db2.gz VZTDFWMDYLQPLN-QLFBSQMISA-N 2 0 297.443 1.134 10 0 CDAERP CCC[NH2+]C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C1CC1 ZINC001670539683 1158633983 /nfs/dbraw/zinc/63/39/83/1158633983.db2.gz ROKXPTXRHMHAOI-OAHLLOKOSA-N 2 0 281.444 1.613 10 0 CDAERP c1nnc([C@@H]2CCC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)n1C1CC1 ZINC001772532097 1158735980 /nfs/dbraw/zinc/73/59/80/1158735980.db2.gz SHNBQKYZIPKUAH-UONOGXRCSA-N 2 0 289.427 1.792 10 0 CDAERP [NH3+]CCCCNC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2[NH2+]1 ZINC000250838328 1159302489 /nfs/dbraw/zinc/30/24/89/1159302489.db2.gz LJABSDWAGNQVRZ-UPJWGTAASA-N 2 0 253.390 1.152 10 0 CDAERP CN(CC[NH2+]CCC1CC1)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001691555799 1160698989 /nfs/dbraw/zinc/69/89/89/1160698989.db2.gz KIWKCPGIPJFUJS-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+]1CCC[C@@H](C)C1 ZINC000344208087 1164339913 /nfs/dbraw/zinc/33/99/13/1164339913.db2.gz BMEKDSGWROGGTP-QXSJWSMHSA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870889290 1165227186 /nfs/dbraw/zinc/22/71/86/1165227186.db2.gz ZMNAWBSZPNVOCX-OSFYFWSMSA-N 2 0 265.401 1.104 10 0 CDAERP CC[NH+](CC)CC[C@H](C)NC(=O)c1cc(CN(C)C)on1 ZINC001647015537 1168350529 /nfs/dbraw/zinc/35/05/29/1168350529.db2.gz QCIPFDCANDMQIY-LBPRGKRZSA-N 2 0 296.415 1.586 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001566808577 1168429895 /nfs/dbraw/zinc/42/98/95/1168429895.db2.gz WTJGFKWHSMZWRU-HDJSIYSDSA-N 2 0 297.443 1.134 10 0 CDAERP [NH3+][C@H]1CCCC[C@H]1C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC001647231965 1168473950 /nfs/dbraw/zinc/47/39/50/1168473950.db2.gz OGVCMRWLTOVWHD-KGLIPLIRSA-N 2 0 273.380 1.788 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCC[C@@H]1[NH3+])c1ccsc1 ZINC001647249053 1168491040 /nfs/dbraw/zinc/49/10/40/1168491040.db2.gz OOXDQCPCZCEHQG-HZSPNIEDSA-N 2 0 295.452 1.985 10 0 CDAERP CC[C@@H](F)C[NH2+]CCN(CC)C(=O)C[NH+]1CCCC1 ZINC001568797864 1169479170 /nfs/dbraw/zinc/47/91/70/1169479170.db2.gz OKLSMZCEYMGBAT-CYBMUJFWSA-N 2 0 273.396 1.268 10 0 CDAERP CC1CC(C[NH2+]C/C=C/CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001568920223 1169548502 /nfs/dbraw/zinc/54/85/02/1169548502.db2.gz QROFWVJSNPRGFA-DYDMKBKYSA-N 2 0 293.455 1.636 10 0 CDAERP CCCC[NH2+]C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001569061952 1169625196 /nfs/dbraw/zinc/62/51/96/1169625196.db2.gz SMOOHLSIUCXRJQ-LBPRGKRZSA-N 2 0 255.406 1.365 10 0 CDAERP C[C@@H](C[NH2+]CCC1CCCC1)NC(=O)CC[NH+](C)C ZINC001569077960 1169633213 /nfs/dbraw/zinc/63/32/13/1169633213.db2.gz QKWQGZREWHMFFX-ZDUSSCGKSA-N 2 0 269.433 1.613 10 0 CDAERP CC(C)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001569447225 1169883639 /nfs/dbraw/zinc/88/36/39/1169883639.db2.gz UWMVOXOPVKYZCJ-KGLIPLIRSA-N 2 0 267.417 1.412 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@@H](C[NH2+]CCC2CC2)C1 ZINC001569851383 1170016952 /nfs/dbraw/zinc/01/69/52/1170016952.db2.gz VDELBOKTKICDIR-HOCLYGCPSA-N 2 0 295.471 1.812 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@H](CC[NH2+]CC2CCC2)C1 ZINC001570013961 1170060504 /nfs/dbraw/zinc/06/05/04/1170060504.db2.gz VBONGPIERGVGLV-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP CCCC[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001571418773 1170420414 /nfs/dbraw/zinc/42/04/14/1170420414.db2.gz DYJHLYXJMSKBAO-CYBMUJFWSA-N 2 0 257.422 1.563 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H](C[NH2+]CCF)C1 ZINC001661794552 1172447953 /nfs/dbraw/zinc/44/79/53/1172447953.db2.gz ZILMJZLIDOJFLD-GJZGRUSLSA-N 2 0 299.434 1.659 10 0 CDAERP CC/C=C/CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)[NH+](C)C ZINC001662048851 1172479487 /nfs/dbraw/zinc/47/94/87/1172479487.db2.gz VOYWYBDAFHQJMV-KLOCTTPYSA-N 2 0 293.455 1.729 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CC[C@@H](C[NH2+]CCC2CC2)C1 ZINC001662723396 1172586277 /nfs/dbraw/zinc/58/62/77/1172586277.db2.gz SXCYWPSLUBBKQK-HNNXBMFYSA-N 2 0 279.428 1.320 10 0 CDAERP CCC[NH2+]C[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001662728431 1172586738 /nfs/dbraw/zinc/58/67/38/1172586738.db2.gz OPKQYXLCGHHNGP-OAHLLOKOSA-N 2 0 281.444 1.711 10 0 CDAERP CC[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC(C)C ZINC001665872049 1173078200 /nfs/dbraw/zinc/07/82/00/1173078200.db2.gz NQKZWRMGQRHOCC-KGLIPLIRSA-N 2 0 269.433 1.469 10 0 CDAERP CC(C)=CC[NH2+]CCCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001670223226 1173664569 /nfs/dbraw/zinc/66/45/69/1173664569.db2.gz FRQZZNIRNAIRKE-UHFFFAOYSA-N 2 0 281.444 1.733 10 0 CDAERP CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001689052578 1175086233 /nfs/dbraw/zinc/08/62/33/1175086233.db2.gz OANFZOUWSMXQEW-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP CCOCCC[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001690231171 1175409627 /nfs/dbraw/zinc/40/96/27/1175409627.db2.gz HSHFKCBTYJADDU-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP CCC/C=C/CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001690560081 1175501264 /nfs/dbraw/zinc/50/12/64/1175501264.db2.gz PGGSMFBWPHGIKW-CNBITHIKSA-N 2 0 281.444 1.921 10 0 CDAERP CCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001692377177 1175756486 /nfs/dbraw/zinc/75/64/86/1175756486.db2.gz XAIUDPSTNIXORP-PMPSAXMXSA-N 2 0 293.455 1.804 10 0 CDAERP CCC[NH2+]C[C@@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001698769899 1175925799 /nfs/dbraw/zinc/92/57/99/1175925799.db2.gz BEXNJRIXVRQVOC-CQSZACIVSA-N 2 0 295.471 1.860 10 0 CDAERP C[C@@H](C[NH2+]CCCF)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001698853671 1175965035 /nfs/dbraw/zinc/96/50/35/1175965035.db2.gz UZMAQRXKJYXHCZ-STQMWFEESA-N 2 0 273.396 1.267 10 0 CDAERP C[C@H](C[NH2+]C/C=C/Cl)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001698861025 1175967973 /nfs/dbraw/zinc/96/79/73/1175967973.db2.gz RQZXLKXVGZGTSH-WBIIUDBISA-N 2 0 273.808 1.127 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001698890068 1175978132 /nfs/dbraw/zinc/97/81/32/1175978132.db2.gz CSSWRMAWMQRRTA-GJZGRUSLSA-N 2 0 295.471 1.955 10 0 CDAERP CC[NH2+]C/C=C/CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001699270000 1176190071 /nfs/dbraw/zinc/19/00/71/1176190071.db2.gz CNXNQWPULHOTPM-IHVVCDCBSA-N 2 0 253.390 1.143 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]CC[C@@H]1CCOC1)[NH+](C)C ZINC001699366465 1176322765 /nfs/dbraw/zinc/32/27/65/1176322765.db2.gz LTPYYAQRSPAQCU-KFWWJZLASA-N 2 0 299.459 1.094 10 0 CDAERP CCCCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001700086768 1176743063 /nfs/dbraw/zinc/74/30/63/1176743063.db2.gz DKHCPZDTUHLRJB-JKSUJKDBSA-N 2 0 295.471 1.957 10 0 CDAERP CCCCC[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001700644713 1177052374 /nfs/dbraw/zinc/05/23/74/1177052374.db2.gz QYLCFNYTKNZSIO-SHTZXODSSA-N 2 0 281.444 1.757 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001700644704 1177053620 /nfs/dbraw/zinc/05/36/20/1177053620.db2.gz ZYYGKZNAYKDMPA-JYJNAYRXSA-N 2 0 293.455 1.779 10 0 CDAERP COCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]1C ZINC001700822744 1177150317 /nfs/dbraw/zinc/15/03/17/1177150317.db2.gz KMHYCPIRCXTKFG-ZIAGYGMSSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)C(C)C ZINC001707386889 1178010786 /nfs/dbraw/zinc/01/07/86/1178010786.db2.gz IHEIJRMPBSBWFQ-HNNXBMFYSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H]([NH2+]CCCF)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001707445312 1178048267 /nfs/dbraw/zinc/04/82/67/1178048267.db2.gz UBLDDQHGKHPYQP-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001713205414 1178428450 /nfs/dbraw/zinc/42/84/50/1178428450.db2.gz JEQFKFJFBKRLJG-XQQFMLRXSA-N 2 0 255.406 1.219 10 0 CDAERP CCCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001713245067 1178449519 /nfs/dbraw/zinc/44/95/19/1178449519.db2.gz CBXDWXQZWMXUDS-HUUCEWRRSA-N 2 0 281.444 1.566 10 0 CDAERP CCCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001713362860 1178520889 /nfs/dbraw/zinc/52/08/89/1178520889.db2.gz HUMNLKPNZDSCJX-KGLIPLIRSA-N 2 0 267.417 1.176 10 0 CDAERP CC(C)CC[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001713477427 1178592368 /nfs/dbraw/zinc/59/23/68/1178592368.db2.gz OZRCRJMDEQXEKY-ZDUSSCGKSA-N 2 0 255.406 1.032 10 0 CDAERP CN(CC[NH2+]Cc1ccccc1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001713605361 1178678565 /nfs/dbraw/zinc/67/85/65/1178678565.db2.gz JYWCEUMKAUFNIV-MRXNPFEDSA-N 2 0 289.423 1.719 10 0 CDAERP Cc1nc(C[NH2+]CCN(C)C(=O)CC[NH+](C)C)sc1C ZINC001713630336 1178689286 /nfs/dbraw/zinc/68/92/86/1178689286.db2.gz NDOXNDQTWHEZRA-UHFFFAOYSA-N 2 0 298.456 1.260 10 0 CDAERP CN(CC[NH2+]C/C=C\Cl)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001713643242 1178693134 /nfs/dbraw/zinc/69/31/34/1178693134.db2.gz FHBDHFGKGMCCOI-AKMKWWRZSA-N 2 0 299.846 1.804 10 0 CDAERP CN(CC[NH2+]CC1=CCCCC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001713654600 1178698004 /nfs/dbraw/zinc/69/80/04/1178698004.db2.gz HRLWFQJPWKRVPV-INIZCTEOSA-N 2 0 293.455 1.877 10 0 CDAERP CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001714105558 1178976224 /nfs/dbraw/zinc/97/62/24/1178976224.db2.gz AJLYOVWOUZLPGC-UONOGXRCSA-N 2 0 269.433 1.754 10 0 CDAERP CCCC[NH2+][C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001714269852 1179057997 /nfs/dbraw/zinc/05/79/97/1179057997.db2.gz ZLLCGZIPVRKWTN-LBPRGKRZSA-N 2 0 255.406 1.223 10 0 CDAERP CCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001714397793 1179123157 /nfs/dbraw/zinc/12/31/57/1179123157.db2.gz RMQBQLHIUZBPAY-UONOGXRCSA-N 2 0 269.433 1.613 10 0 CDAERP COCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCCC1 ZINC001714490798 1179167840 /nfs/dbraw/zinc/16/78/40/1179167840.db2.gz TUQCAWYHPFLDHU-AWEZNQCLSA-N 2 0 297.443 1.136 10 0 CDAERP CC/C=C\CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001714674438 1179316380 /nfs/dbraw/zinc/31/63/80/1179316380.db2.gz GHEGKILHDXVRSC-FOSCPCJNSA-N 2 0 293.455 1.875 10 0 CDAERP CC[NH+]1CC(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001714980937 1179488383 /nfs/dbraw/zinc/48/83/83/1179488383.db2.gz FNPXOQFBMYQGGY-UHFFFAOYSA-N 2 0 267.417 1.320 10 0 CDAERP CC/C=C\CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001714992457 1179496051 /nfs/dbraw/zinc/49/60/51/1179496051.db2.gz PDDFANKOTJKQOZ-LFULFBTMSA-N 2 0 291.439 1.580 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001715031028 1179519047 /nfs/dbraw/zinc/51/90/47/1179519047.db2.gz LVVSYMOEJSULAD-DWTRPJMMSA-N 2 0 293.455 1.971 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C[NH2+]C/C=C\Cl ZINC001715232034 1179588739 /nfs/dbraw/zinc/58/87/39/1179588739.db2.gz OPAVCOKLLWNEIZ-AEXSIOFHSA-N 2 0 299.846 1.423 10 0 CDAERP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CCCF ZINC001715233422 1179589029 /nfs/dbraw/zinc/58/90/29/1179589029.db2.gz ZYGDFHNUQSJQNE-KGLIPLIRSA-N 2 0 287.423 1.561 10 0 CDAERP C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C[NH2+]CCF ZINC001715399187 1179657381 /nfs/dbraw/zinc/65/73/81/1179657381.db2.gz IBNHWCDUXUDWHE-ZFWWWQNUSA-N 2 0 299.434 1.514 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]CCOC)C(C)C ZINC001715508457 1179688372 /nfs/dbraw/zinc/68/83/72/1179688372.db2.gz VLKISYMUZOVCDC-LSDHHAIUSA-N 2 0 299.459 1.238 10 0 CDAERP COCCC[N@H+](C)CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001715539894 1179709585 /nfs/dbraw/zinc/70/95/85/1179709585.db2.gz PZOOTQDBQVNCCS-GASCZTMLSA-N 2 0 299.459 1.286 10 0 CDAERP C[C@H](CC[NH2+]CC1CCC1)NC(=O)C[N@H+](C)C1CCC1 ZINC001715658052 1179755568 /nfs/dbraw/zinc/75/55/68/1179755568.db2.gz UXSWGUJHANUGSQ-CYBMUJFWSA-N 2 0 281.444 1.755 10 0 CDAERP CCCC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001715725802 1179780270 /nfs/dbraw/zinc/78/02/70/1179780270.db2.gz DVYANRSNSBGJHQ-KGLIPLIRSA-N 2 0 269.433 1.469 10 0 CDAERP CCN(CC[NH2+]CCCF)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001715738199 1179786208 /nfs/dbraw/zinc/78/62/08/1179786208.db2.gz FESJUCMYWHQDIP-VXGBXAGGSA-N 2 0 282.363 1.311 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CCF ZINC001715824919 1179851917 /nfs/dbraw/zinc/85/19/17/1179851917.db2.gz NXOZXCUEHJIYBX-OOPCZODUSA-N 2 0 271.380 1.092 10 0 CDAERP CC[C@H](C)C[NH2+]CC[C@@H](C)NC(=O)Cc1c[nH]cn1 ZINC001716177043 1180083074 /nfs/dbraw/zinc/08/30/74/1180083074.db2.gz SZSNUXZSOTVEBK-NWDGAFQWSA-N 2 0 266.389 1.483 10 0 CDAERP C[C@H](CC[NH2+]CCC(C)(C)C)NC(=O)Cc1c[nH]cn1 ZINC001716176754 1180083583 /nfs/dbraw/zinc/08/35/83/1180083583.db2.gz OZGMIJIUXYOALS-GFCCVEGCSA-N 2 0 280.416 1.873 10 0 CDAERP CC[NH2+]CCN(CC)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001716223793 1180109398 /nfs/dbraw/zinc/10/93/98/1180109398.db2.gz DSWWDURDVFIZQF-KGLIPLIRSA-N 2 0 267.417 1.461 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC/C=C\C[NH2+]CC1CC1 ZINC001716304206 1180148541 /nfs/dbraw/zinc/14/85/41/1180148541.db2.gz BCDYTLLXYFPJTF-MPNWYJEXSA-N 2 0 279.428 1.533 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC/C=C\C[NH2+]C[C@H]1CC[C@@H](C)O1 ZINC001716379838 1180174346 /nfs/dbraw/zinc/17/43/46/1180174346.db2.gz VQVPNQCGVHCZIG-JBZXTQMFSA-N 2 0 297.443 1.156 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001716449348 1180216710 /nfs/dbraw/zinc/21/67/10/1180216710.db2.gz IZPIJEBIDHIVCO-RDBSUJKOSA-N 2 0 269.433 1.611 10 0 CDAERP CC[C@H](C)C[NH2+]CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001716585278 1180294139 /nfs/dbraw/zinc/29/41/39/1180294139.db2.gz IIIQEKNDIBEJOC-AWEZNQCLSA-N 2 0 269.433 1.566 10 0 CDAERP CCC[NH2+]CC(C)(C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001717457756 1180679442 /nfs/dbraw/zinc/67/94/42/1180679442.db2.gz RLEMZCXWTMRXRB-UHFFFAOYSA-N 2 0 283.460 1.812 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CC2CCC2)CN1C(=O)CC[NH+](C)C ZINC001717821723 1180878599 /nfs/dbraw/zinc/87/85/99/1180878599.db2.gz JEUFQZBCVNYSMM-OCCSQVGLSA-N 2 0 267.417 1.317 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)C1CC1 ZINC001723356805 1181543603 /nfs/dbraw/zinc/54/36/03/1181543603.db2.gz TWXMVHSVXUOPMS-ZIAGYGMSSA-N 2 0 267.417 1.365 10 0 CDAERP CCOCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1CC ZINC001723379146 1181544789 /nfs/dbraw/zinc/54/47/89/1181544789.db2.gz ROTQHMLEZSUELF-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001723906587 1181622805 /nfs/dbraw/zinc/62/28/05/1181622805.db2.gz TUGJMAARQWPGPD-LSDHHAIUSA-N 2 0 281.444 1.851 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001723981776 1181627512 /nfs/dbraw/zinc/62/75/12/1181627512.db2.gz NVILRPWBSYKYQO-GJZGRUSLSA-N 2 0 281.444 1.851 10 0 CDAERP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C[NH2+]CCCF ZINC001724611288 1181703991 /nfs/dbraw/zinc/70/39/91/1181703991.db2.gz YQGCOWALFBVYLQ-KBPBESRZSA-N 2 0 285.407 1.126 10 0 CDAERP C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@H](C)[NH2+]CCCF ZINC001725125934 1181875179 /nfs/dbraw/zinc/87/51/79/1181875179.db2.gz DBNRAAIFEJJGLZ-STQMWFEESA-N 2 0 287.423 1.703 10 0 CDAERP CC(C)[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001725127893 1181875447 /nfs/dbraw/zinc/87/54/47/1181875447.db2.gz GNLUSANHTWVMLJ-QWHCGFSZSA-N 2 0 269.433 1.752 10 0 CDAERP CC[N@H+](C)[C@@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001725174267 1181905806 /nfs/dbraw/zinc/90/58/06/1181905806.db2.gz SVSNCKDWLDVQHP-STQMWFEESA-N 2 0 255.406 1.317 10 0 CDAERP CC(C)[N@@H+]1C[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001725293192 1181953599 /nfs/dbraw/zinc/95/35/99/1181953599.db2.gz YODDTQRXAWSQRF-ZDUSSCGKSA-N 2 0 269.433 1.563 10 0 CDAERP CCCC[NH2+]C[C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001725356608 1181970435 /nfs/dbraw/zinc/97/04/35/1181970435.db2.gz CSEHTRJAWMIFGX-SHTZXODSSA-N 2 0 293.455 1.899 10 0 CDAERP COCC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001725400596 1181989005 /nfs/dbraw/zinc/98/90/05/1181989005.db2.gz JKTRPRFCAUQCGD-ILXRZTDVSA-N 2 0 299.459 1.238 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC ZINC001725494981 1182023487 /nfs/dbraw/zinc/02/34/87/1182023487.db2.gz ZOFGECRKSRBLDG-CHWSQXEVSA-N 2 0 255.406 1.317 10 0 CDAERP CC(C)[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001725501302 1182025687 /nfs/dbraw/zinc/02/56/87/1182025687.db2.gz IHSFCSOHZXBQQF-IHRRRGAJSA-N 2 0 269.433 1.562 10 0 CDAERP CC(C)OCC[NH2+][C@H](C)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001725514534 1182032662 /nfs/dbraw/zinc/03/26/62/1182032662.db2.gz KHXPZSWFDXREHL-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP CCCC[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001731232766 1182264380 /nfs/dbraw/zinc/26/43/80/1182264380.db2.gz UBVQHKXUNCZEIT-ZDUSSCGKSA-N 2 0 255.406 1.319 10 0 CDAERP CN(CC[NH2+]Cc1cccc(F)c1)C(=O)CC[NH+](C)C ZINC001731950248 1182694144 /nfs/dbraw/zinc/69/41/44/1182694144.db2.gz RZGYMAFMBLLDEI-UHFFFAOYSA-N 2 0 281.375 1.325 10 0 CDAERP CCOCC[N@@H+]1CC[C@H](N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001732164553 1182824106 /nfs/dbraw/zinc/82/41/06/1182824106.db2.gz DNBCGPJFAFNEJQ-AWEZNQCLSA-N 2 0 297.443 1.040 10 0 CDAERP C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)C[NH2+]CCCF ZINC001732360305 1182926616 /nfs/dbraw/zinc/92/66/16/1182926616.db2.gz JRBKMNOFINMFFM-CQSZACIVSA-N 2 0 287.423 1.420 10 0 CDAERP C[C@H](C[NH2+]CCCF)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001732448074 1182970629 /nfs/dbraw/zinc/97/06/29/1182970629.db2.gz MNRQYSDHMAMHQI-CQSZACIVSA-N 2 0 287.423 1.514 10 0 CDAERP CC[N@H+](C)CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001732588919 1183031709 /nfs/dbraw/zinc/03/17/09/1183031709.db2.gz VVQOOUAJSNFHJH-UHFFFAOYSA-N 2 0 255.406 1.271 10 0 CDAERP CC[C@H](C)C[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001732774312 1183120791 /nfs/dbraw/zinc/12/07/91/1183120791.db2.gz YPDZXEGLVLMESL-RRFJBIMHSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CCF ZINC001732873257 1183166671 /nfs/dbraw/zinc/16/66/71/1183166671.db2.gz JWCCZJVYBKVFSI-NQHOJNORSA-N 2 0 285.407 1.338 10 0 CDAERP C[NH+](C)Cc1ccc(C(=O)NC/C=C\C[NH2+]CCF)cc1 ZINC001732914911 1183182255 /nfs/dbraw/zinc/18/22/55/1183182255.db2.gz SVZRCBFTVMYNFK-ARJAWSKDSA-N 2 0 293.386 1.593 10 0 CDAERP CCCCC[N@@H+]1CC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001733228593 1183354253 /nfs/dbraw/zinc/35/42/53/1183354253.db2.gz FLYTURPZOUERCH-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP CCCCC[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)CC)C[C@H]2C1 ZINC001733576866 1183470791 /nfs/dbraw/zinc/47/07/91/1183470791.db2.gz CZXISUDCANHRQL-IYBDPMFKSA-N 2 0 295.471 1.909 10 0 CDAERP CCCC[C@H](C[NH2+]CCF)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001734093530 1183655106 /nfs/dbraw/zinc/65/51/06/1183655106.db2.gz LXUBYCHXJCWNNC-CABCVRRESA-N 2 0 299.434 1.562 10 0 CDAERP CC(C)=CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001734602644 1183842858 /nfs/dbraw/zinc/84/28/58/1183842858.db2.gz LEFXRVZKCSZXBJ-WLYUNCDWSA-N 2 0 279.428 1.483 10 0 CDAERP Cc1cccc([C@H]([NH2+]CC(=O)N2CC[NH2+]CC2)C(C)C)c1 ZINC001771826194 1184765956 /nfs/dbraw/zinc/76/59/56/1184765956.db2.gz NBDWGGZUYLRSOP-QGZVFWFLSA-N 2 0 289.423 1.714 10 0 CDAERP C[N@@H+]1CC[C@@]2(CC[NH+](CC3CCC(O)CC3)C2)C1 ZINC000311089534 1186681720 /nfs/dbraw/zinc/68/17/20/1186681720.db2.gz NQDUVRFZEBNCDM-YMAMQOFZSA-N 2 0 252.402 1.565 10 0 CDAERP CC[NH+](CC)C1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC001771932183 1186963738 /nfs/dbraw/zinc/96/37/38/1186963738.db2.gz OISWJBVIERHNMB-DZGCQCFKSA-N 2 0 296.459 1.595 10 0 CDAERP C[NH+](C)C1(C)CCC([NH2+]C[C@@H]2CCC[NH2+]C2)CC1 ZINC000715518065 739269904 /nfs/dbraw/zinc/26/99/04/739269904.db2.gz JEUUGMKITRIOFR-WLYUNCDWSA-N 3 0 253.434 1.839 10 0 CDAERP C[C@H]1[C@H](NC(=O)N2CCC[NH+](C(C)(C)C)CC2)CC[N@@H+]1C ZINC000925316422 739297126 /nfs/dbraw/zinc/29/71/26/739297126.db2.gz KNRHHBQZKVFISO-UONOGXRCSA-N 2 0 296.459 1.595 10 0 CDAERP CC1CCN(C(=O)C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)CC1 ZINC000923511168 739514140 /nfs/dbraw/zinc/51/41/40/739514140.db2.gz ZZHHCOICNQNWKP-KBPBESRZSA-N 2 0 267.417 1.162 10 0 CDAERP CCNC(=O)C(C)(C)C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925607395 739790579 /nfs/dbraw/zinc/79/05/79/739790579.db2.gz PEVRNAFRMSBSKJ-CABCVRRESA-N 2 0 295.471 1.907 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C2(C[NH3+])CCCC2)C1 ZINC000870994920 739805735 /nfs/dbraw/zinc/80/57/35/739805735.db2.gz YFEMUKYRAXNDRZ-INIZCTEOSA-N 2 0 281.444 1.729 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CCC3(COC3)O2)[C@H](C)C1 ZINC000929999681 739813776 /nfs/dbraw/zinc/81/37/76/739813776.db2.gz KKMIOIRXQOEEEA-ILXRZTDVSA-N 2 0 282.428 1.597 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)C(C)(C)[C@H]([NH3+])C(C)C ZINC000712992766 739832407 /nfs/dbraw/zinc/83/24/07/739832407.db2.gz ZVIUVQCWQYTCLT-CYBMUJFWSA-N 2 0 271.449 1.796 10 0 CDAERP C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC000923410059 739863998 /nfs/dbraw/zinc/86/39/98/739863998.db2.gz DRYZQZZDTUAEDH-YRGRVCCFSA-N 2 0 298.814 1.606 10 0 CDAERP COC(=O)c1cc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)oc1C ZINC000723887864 739930323 /nfs/dbraw/zinc/93/03/23/739930323.db2.gz ZEKVIQMEEGXEGD-ZYHUDNBSSA-N 2 0 280.368 1.791 10 0 CDAERP C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000831970249 739954713 /nfs/dbraw/zinc/95/47/13/739954713.db2.gz AUIQMOBEYIQTFH-ILXRZTDVSA-N 2 0 281.444 1.885 10 0 CDAERP COC(C)(OC)c1cccc2c1[C@@H]([NH3+])CC[C@H]2[NH3+] ZINC000575624125 740099592 /nfs/dbraw/zinc/09/95/92/740099592.db2.gz IYKGGXJIWXQGKT-NEPJUHHUSA-N 2 0 250.342 1.946 10 0 CDAERP CCCC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000848998826 740218662 /nfs/dbraw/zinc/21/86/62/740218662.db2.gz ANRZURUXRAIALL-GJZGRUSLSA-N 2 0 296.459 1.886 10 0 CDAERP C[C@H](C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2)N1C[C@@H](C)O[C@@H](C)C1 ZINC000925701512 740221525 /nfs/dbraw/zinc/22/15/25/740221525.db2.gz APOKMCPMGLNNEE-MRLBHPIUSA-N 2 0 281.444 1.344 10 0 CDAERP c1ccc2c(c1)CCC[N@@H+](C[C@H]1CC3(C[NH2+]C3)CO1)C2 ZINC000923311222 740230309 /nfs/dbraw/zinc/23/03/09/740230309.db2.gz IHTHPVMZWIXHND-MRXNPFEDSA-N 2 0 272.392 1.813 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000925669006 740246342 /nfs/dbraw/zinc/24/63/42/740246342.db2.gz NKJZAIURQVVZKQ-BBKRWKNMSA-N 2 0 260.385 1.373 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925703055 740310558 /nfs/dbraw/zinc/31/05/58/740310558.db2.gz SIPJTRCUEQDETM-MJBXVCDLSA-N 2 0 251.418 1.591 10 0 CDAERP Cc1cccc(CNC(=O)C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC000923496141 740317040 /nfs/dbraw/zinc/31/70/40/740317040.db2.gz HDGAJFVHCGUWMC-GDBMZVCRSA-N 2 0 289.423 1.528 10 0 CDAERP C[C@](O)(CN1C[C@H]2C[NH2+]C[C@H]2C1)C(F)(F)C(F)(F)F ZINC000724037161 740343963 /nfs/dbraw/zinc/34/39/63/740343963.db2.gz SFSVORCMTOYSMP-YIZRAAEISA-N 2 0 288.260 1.086 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCCNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000848989463 740348344 /nfs/dbraw/zinc/34/83/44/740348344.db2.gz SMPMACCWCWUXKZ-CABCVRRESA-N 2 0 296.459 1.934 10 0 CDAERP [NH3+][C@H]1C[C@H]([NH2+]CC2(CF)CCOCC2)C12CCC2 ZINC000925683578 740367535 /nfs/dbraw/zinc/36/75/35/740367535.db2.gz SRNVWKATDRILML-RYUDHWBXSA-N 2 0 256.365 1.612 10 0 CDAERP CC(C)(C[NH3+])C1CC[NH+](CCCCS(C)(=O)=O)CC1 ZINC000714407636 740412260 /nfs/dbraw/zinc/41/22/60/740412260.db2.gz YFMMIFQXAGQRCL-UHFFFAOYSA-N 2 0 290.473 1.508 10 0 CDAERP C[C@H](C[NH2+][C@@H](C)c1cc(O)cc(F)c1)N1CC[NH+](C)CC1 ZINC000924966640 740443382 /nfs/dbraw/zinc/44/33/82/740443382.db2.gz SVFMBUNKKIFGHL-OLZOCXBDSA-N 2 0 295.402 1.818 10 0 CDAERP CC(C)(C)CC[NH+]1CCN(C(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852860237 740510064 /nfs/dbraw/zinc/51/00/64/740510064.db2.gz AALUBCYRATUZJJ-UHFFFAOYSA-N 2 0 293.455 1.877 10 0 CDAERP C[NH2+]CC1CC[NH+](C[C@@H]2CC[C@H](C3CC3)O2)CC1 ZINC000715518366 740565021 /nfs/dbraw/zinc/56/50/21/740565021.db2.gz KAGDZILCKHYNRQ-LSDHHAIUSA-N 2 0 252.402 1.875 10 0 CDAERP C[N@@H+]1CCN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)CCC1(C)C ZINC000717380062 740638439 /nfs/dbraw/zinc/63/84/39/740638439.db2.gz ARVHBKQAGXPTEI-NSHDSACASA-N 2 0 289.370 1.174 10 0 CDAERP CN(C)C(=O)CCC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925588359 740644134 /nfs/dbraw/zinc/64/41/34/740644134.db2.gz WAUOPUBTEHBRPP-CABCVRRESA-N 2 0 281.444 1.613 10 0 CDAERP CCO[C@H](CN[C@@H]1CC[NH2+]C12CCCC2)C[NH+](C)C ZINC000925837317 740810217 /nfs/dbraw/zinc/81/02/17/740810217.db2.gz GAMOEHPJTKDXAS-ZIAGYGMSSA-N 2 0 269.433 1.217 10 0 CDAERP C[C@@H]([NH2+][C@@H](C)c1cn(C)nn1)C1CC[NH+](C)CC1 ZINC000715886575 740841492 /nfs/dbraw/zinc/84/14/92/740841492.db2.gz WRZRVBKBVXBXGZ-MNOVXSKESA-N 2 0 251.378 1.196 10 0 CDAERP CSC1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923410419 740877678 /nfs/dbraw/zinc/87/76/78/740877678.db2.gz HJLLLCNNHRWPNW-NSHDSACASA-N 2 0 256.415 1.192 10 0 CDAERP O[C@@H](C[NH2+]C[C@H]1CCC2(CCC2)CO1)C[NH+]1CCCC1 ZINC000716531322 740881759 /nfs/dbraw/zinc/88/17/59/740881759.db2.gz BXZRSLMWTYWSQT-LSDHHAIUSA-N 2 0 282.428 1.382 10 0 CDAERP CC(C)OC(=O)N1CCC([NH2+][C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000817912478 740888508 /nfs/dbraw/zinc/88/85/08/740888508.db2.gz PWQQVOJUDBZPNK-JSGCOSHPSA-N 2 0 283.416 1.713 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)NC2CCCCCC2)CC[C@H]1C[NH3+] ZINC000251659043 740959890 /nfs/dbraw/zinc/95/98/90/740959890.db2.gz GTQARQXZPLAPTD-KGLIPLIRSA-N 2 0 281.444 1.742 10 0 CDAERP CCN(C(=O)NC[C@H](C)[NH+]1CCCCC1)[C@H]1CC[N@H+](C)C1 ZINC000853465988 741004778 /nfs/dbraw/zinc/00/47/78/741004778.db2.gz PEDWPWOKOSPRDD-GJZGRUSLSA-N 2 0 296.459 1.596 10 0 CDAERP CC1(C)C[C@@H](NC[C@@H]2CCC[N@@H+]2CCCO)C[C@@H]([NH3+])C1 ZINC000925679523 741026188 /nfs/dbraw/zinc/02/61/88/741026188.db2.gz JEOXAYWPEZDRSP-ILXRZTDVSA-N 2 0 283.460 1.329 10 0 CDAERP Cc1ccccc1NC(=O)[C@@H](C)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923513027 741149153 /nfs/dbraw/zinc/14/91/53/741149153.db2.gz BGIDRPZFXPHEEK-MGPQQGTHSA-N 2 0 275.396 1.849 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C[C@H]2CN(C3CC3)C(=O)O2)C1 ZINC000844299104 741195202 /nfs/dbraw/zinc/19/52/02/741195202.db2.gz BVWASKIVNNYLHJ-ZFWWWQNUSA-N 2 0 295.427 1.633 10 0 CDAERP COCC[N@H+](C)CCCN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925541073 741205282 /nfs/dbraw/zinc/20/52/82/741205282.db2.gz AEUXGYDYNHZPFQ-SJORKVTESA-N 2 0 297.487 1.713 10 0 CDAERP C(CC[NH2+][C@@H]1CC[NH2+]C12CCCC2)CCN1CC[NH2+]CC1 ZINC000925842903 741223238 /nfs/dbraw/zinc/22/32/38/741223238.db2.gz OKBFAMUQFXVHGM-MRXNPFEDSA-N 3 0 294.487 1.326 10 0 CDAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872282463 741105520 /nfs/dbraw/zinc/10/55/20/741105520.db2.gz LALIWKNMBPOGFN-KFWWJZLASA-N 2 0 297.443 1.121 10 0 CDAERP C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000926566597 741113418 /nfs/dbraw/zinc/11/34/18/741113418.db2.gz JQISSKRLIPTYAC-AAEUAGOBSA-N 2 0 272.352 1.481 10 0 CDAERP [NH2+]=C(NCCCC[NH+]1CCOCC1)NCCC1CC1 ZINC000864452313 741312822 /nfs/dbraw/zinc/31/28/22/741312822.db2.gz MNCSEAVTYHHKNL-UHFFFAOYSA-N 2 0 268.405 1.013 10 0 CDAERP C[N@H+](CCN1CC[NH2+]CC1)C[C@H]1CCCC(C)(C)O1 ZINC000714379638 741316321 /nfs/dbraw/zinc/31/63/21/741316321.db2.gz ABJBRVKWTBFWNQ-CQSZACIVSA-N 2 0 269.433 1.171 10 0 CDAERP CC(C)[C@H]1COCC[C@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000926665317 741316712 /nfs/dbraw/zinc/31/67/12/741316712.db2.gz CEIHMOJKLAPBQN-LXTVHRRPSA-N 2 0 254.418 1.977 10 0 CDAERP O=C1OCC[C@@H]1CCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925730089 741317532 /nfs/dbraw/zinc/31/75/32/741317532.db2.gz MZMXQUPVTUUXHJ-STQMWFEESA-N 2 0 266.385 1.594 10 0 CDAERP CC[C@@H]1CCN(C(=[NH2+])NCC2CC[NH+](CC)CC2)C1 ZINC000864457100 741320752 /nfs/dbraw/zinc/32/07/52/741320752.db2.gz QOHBUKOYNJSYPQ-CYBMUJFWSA-N 2 0 266.433 1.975 10 0 CDAERP CN(CCC[NH+](C)C)CCNC(=O)c1cccnc1Cl ZINC000855417279 741373599 /nfs/dbraw/zinc/37/35/99/741373599.db2.gz WRAIFLQWNLUCRO-UHFFFAOYSA-N 2 0 298.818 1.348 10 0 CDAERP CN(CC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)CC(F)F ZINC000925725160 741280213 /nfs/dbraw/zinc/28/02/13/741280213.db2.gz QSSIJAKKJVVSJC-MNOVXSKESA-N 2 0 263.376 1.679 10 0 CDAERP Cc1ncc(C[N@H+](C)C[C@H]2CC3(C[NH2+]C3)CO2)s1 ZINC000923323295 741283784 /nfs/dbraw/zinc/28/37/84/741283784.db2.gz XHXWNTGIYVSKIK-LLVKDONJSA-N 2 0 267.398 1.262 10 0 CDAERP Cn1nccc1CCN1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931284076 741396250 /nfs/dbraw/zinc/39/62/50/741396250.db2.gz NNFJPHMPYVZJDF-UHFFFAOYSA-N 2 0 292.427 1.149 10 0 CDAERP C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000925827134 741491766 /nfs/dbraw/zinc/49/17/66/741491766.db2.gz MFIABDJQTPRWKC-BPUTZDHNSA-N 2 0 276.428 1.805 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NCC(C)(C)[NH+](C)C ZINC000713113096 741492347 /nfs/dbraw/zinc/49/23/47/741492347.db2.gz QCTIZFJFUCEXDQ-NSHDSACASA-N 2 0 257.422 1.452 10 0 CDAERP [NH3+]Cc1cccc(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000831682617 741511254 /nfs/dbraw/zinc/51/12/54/741511254.db2.gz CXDFVIQOFIYPCG-INIZCTEOSA-N 2 0 273.380 1.361 10 0 CDAERP Cn1ncc(CCCN[C@@H]2CC[NH2+]C23CCCC3)n1 ZINC000925677052 741605121 /nfs/dbraw/zinc/60/51/21/741605121.db2.gz NBSPMAMGYGAKFV-CYBMUJFWSA-N 2 0 263.389 1.012 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@@H](NCCC[NH+]2CCC(O)CC2)C1 ZINC000925500038 741607282 /nfs/dbraw/zinc/60/72/82/741607282.db2.gz CEWWVGDMFFCLIF-UONOGXRCSA-N 3 0 283.460 1.329 10 0 CDAERP C[N@H+](C[C@@H](O)CC(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000307941287 741685213 /nfs/dbraw/zinc/68/52/13/741685213.db2.gz OJRQPNVUCZVKHF-IXMYILBSSA-N 2 0 266.307 1.515 10 0 CDAERP COCC[N@H+](CC[C@@H]1CCC[NH2+]C1)CC1CC[NH+](C)CC1 ZINC000866673631 741750840 /nfs/dbraw/zinc/75/08/40/741750840.db2.gz YRGPCEIMXYYVDD-INIZCTEOSA-N 3 0 297.487 1.666 10 0 CDAERP CC[NH2+]Cc1ccccc1NC(=O)C[C@H]([NH3+])C1CC1 ZINC000841846437 741817006 /nfs/dbraw/zinc/81/70/06/741817006.db2.gz UAEUNKLXAFANKR-ZDUSSCGKSA-N 2 0 261.369 1.862 10 0 CDAERP CCCCCC[N@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000848293249 741869019 /nfs/dbraw/zinc/86/90/19/741869019.db2.gz DHVXSTVEOHHCKU-GASCZTMLSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC[N@@H+]1C ZINC000810439883 741929457 /nfs/dbraw/zinc/92/94/57/741929457.db2.gz ZIQHWSGFRIIWNS-XJKCOSOUSA-N 2 0 299.434 1.798 10 0 CDAERP C[NH+](C)C[C@@H]1CN(C(=O)C2=CCCCC2)C[C@H]1C[NH+](C)C ZINC000870019296 741999757 /nfs/dbraw/zinc/99/97/57/741999757.db2.gz CRGBQOPKZSTMJU-HZPDHXFCSA-N 2 0 293.455 1.685 10 0 CDAERP C[N@@H+]1CC[C@]2(CCN(CCc3ccns3)C2)C1 ZINC000930556352 742067486 /nfs/dbraw/zinc/06/74/86/742067486.db2.gz VTEPZDIGWNXREY-ZDUSSCGKSA-N 2 0 251.399 1.713 10 0 CDAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)C(C)(C)CO)CC1 ZINC000924947866 742081503 /nfs/dbraw/zinc/08/15/03/742081503.db2.gz BMLNEKUKVQVKTD-CABCVRRESA-N 2 0 285.476 1.257 10 0 CDAERP CC[C@@H]1CC[C@H](C)[N@H+](C[C@@H](O)CN2CCCC2)C1 ZINC000312879700 741977807 /nfs/dbraw/zinc/97/78/07/741977807.db2.gz NPNLVROHQYHWJI-ZNMIVQPWSA-N 2 0 254.418 1.954 10 0 CDAERP O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000424022120 742300850 /nfs/dbraw/zinc/30/08/50/742300850.db2.gz CNNOBTHHSPCKLZ-YXWQFLTLSA-N 2 0 277.412 1.262 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)N2CCCC[C@@H]2C)CC[C@H]1C[NH3+] ZINC000923503161 742336524 /nfs/dbraw/zinc/33/65/24/742336524.db2.gz HEOMWMNTRBDYFD-RDBSUJKOSA-N 2 0 267.417 1.304 10 0 CDAERP CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCCCCC[NH3+] ZINC000866685114 742340941 /nfs/dbraw/zinc/34/09/41/742340941.db2.gz BTWPYDJBRWHUIA-ZDUSSCGKSA-N 2 0 270.421 1.289 10 0 CDAERP C[C@@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C1CCC1 ZINC000870017847 742393234 /nfs/dbraw/zinc/39/32/34/742393234.db2.gz SLJIDAKRKYUUFL-FVQBIDKESA-N 2 0 295.471 1.620 10 0 CDAERP Cc1cc([C@@H]([NH3+])CC(=O)N[C@@H](C)CCC[NH3+])cc(Cl)n1 ZINC000834813021 739257122 /nfs/dbraw/zinc/25/71/22/739257122.db2.gz BOLGLMKJQYTVOR-CABZTGNLSA-N 2 0 298.818 1.677 10 0 CDAERP Cc1cnccc1CN1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720806156 739359905 /nfs/dbraw/zinc/35/99/05/739359905.db2.gz PBJDGQQNYAXIGG-RYUDHWBXSA-N 2 0 273.302 1.959 10 0 CDAERP C[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)[C@@H]1CCCOC1 ZINC000925844410 739369382 /nfs/dbraw/zinc/36/93/82/739369382.db2.gz LDMBWGQGFKRVAA-JKSUJKDBSA-N 2 0 283.460 1.467 10 0 CDAERP COCC[NH2+]CC(=O)N1c2ccccc2[C@H]([NH3+])C1(C)C ZINC000867988332 739479979 /nfs/dbraw/zinc/47/99/79/739479979.db2.gz KDOPCCDSXHSSHY-AWEZNQCLSA-N 2 0 277.368 1.048 10 0 CDAERP C[C@@H](CCc1cccnc1)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000866259928 739505406 /nfs/dbraw/zinc/50/54/06/739505406.db2.gz IEXJXSZOSZTLFW-HOTGVXAUSA-N 2 0 290.455 1.628 10 0 CDAERP [NH3+]CCCCCCC(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000846681812 739510251 /nfs/dbraw/zinc/51/02/51/739510251.db2.gz XOUUMUPURQNMBL-UHFFFAOYSA-N 2 0 267.417 1.626 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)CCCCC[NH3+])CC1 ZINC000155494269 739555032 /nfs/dbraw/zinc/55/50/32/739555032.db2.gz AKIRJNYNKOLJEX-UHFFFAOYSA-N 2 0 269.433 1.744 10 0 CDAERP C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccncc1 ZINC000925849616 739582085 /nfs/dbraw/zinc/58/20/85/739582085.db2.gz DMMIUCUBZYUFRP-GXTWGEPZSA-N 2 0 289.379 1.418 10 0 CDAERP C[NH+](C)CCCNC(=S)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000863231049 739617797 /nfs/dbraw/zinc/61/77/97/739617797.db2.gz XZRSJQMUMFVOHE-CQSZACIVSA-N 2 0 298.500 1.419 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@H]1C(=O)NC1CCC([NH3+])CC1 ZINC000089398000 739733934 /nfs/dbraw/zinc/73/39/34/739733934.db2.gz VYDBGUCZKPULDK-YWPUVAFDSA-N 2 0 253.390 1.138 10 0 CDAERP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715145343 739804061 /nfs/dbraw/zinc/80/40/61/739804061.db2.gz ZUAPBEAOSSIXOI-SRVKXCTJSA-N 2 0 291.386 1.453 10 0 CDAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCc2nnn(C)c2C1 ZINC000925892821 739910851 /nfs/dbraw/zinc/91/08/51/739910851.db2.gz FTOODXRBWQUEFH-MCIONIFRSA-N 2 0 291.443 1.573 10 0 CDAERP Cc1c(C[N@H+](C)CCCN2CC[NH+](C)CC2)ccnc1F ZINC000862367637 739932650 /nfs/dbraw/zinc/93/26/50/739932650.db2.gz PUIMUOQRLIANSL-UHFFFAOYSA-N 2 0 294.418 1.598 10 0 CDAERP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1cc(CO)on1 ZINC000926687426 740019531 /nfs/dbraw/zinc/01/95/31/740019531.db2.gz YAMPLKMVWDABHL-QWHCGFSZSA-N 2 0 298.431 1.090 10 0 CDAERP CC[NH+]1CCN(C[C@H](C)C[NH2+]CC2(O)CCCCC2)CC1 ZINC000819058359 740046973 /nfs/dbraw/zinc/04/69/73/740046973.db2.gz IYKJRYNDZFIMSQ-MRXNPFEDSA-N 2 0 297.487 1.545 10 0 CDAERP C[N@@H+]1C[C@@H]2CN(CC3(Br)CC3)C[C@]2(C)C1 ZINC000933734108 740052523 /nfs/dbraw/zinc/05/25/23/740052523.db2.gz OSILVOCYUJIISZ-MNOVXSKESA-N 2 0 273.218 1.797 10 0 CDAERP Cc1c(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)cnn1C ZINC000925612293 740206069 /nfs/dbraw/zinc/20/60/69/740206069.db2.gz RBDVFTQGUMPPSW-OLZOCXBDSA-N 2 0 250.390 1.724 10 0 CDAERP C[C@@H](CN[C@H]1C[N@@H+]2C[C@@H]1CCC2)C[NH+]1CCCCC1 ZINC000924720926 740210104 /nfs/dbraw/zinc/21/01/04/740210104.db2.gz KSVSPFAGPNDCND-JYJNAYRXSA-N 2 0 265.445 1.792 10 0 CDAERP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)[C@@H]1CCC[NH2+]C1 ZINC000925696316 740216878 /nfs/dbraw/zinc/21/68/78/740216878.db2.gz ZEXIUOPFXMAULD-RFQIPJPRSA-N 3 0 253.434 1.870 10 0 CDAERP C[S@](=O)CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000798194280 740252713 /nfs/dbraw/zinc/25/27/13/740252713.db2.gz ZBYURMCNPMWRPQ-KRWDZBQOSA-N 2 0 258.431 1.173 10 0 CDAERP COc1ccccc1NC(=O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000091847492 740262003 /nfs/dbraw/zinc/26/20/03/740262003.db2.gz SYHJOHWIFBOZKU-UHFFFAOYSA-N 2 0 291.395 1.835 10 0 CDAERP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000724586893 740300807 /nfs/dbraw/zinc/30/08/07/740300807.db2.gz WIKWAPDWYFHQGQ-ONWWLPHZSA-N 2 0 266.385 1.135 10 0 CDAERP C[C@@H]([NH2+]CCc1ccnn1-c1ccccc1)C1C[NH2+]C1 ZINC000925804805 740302632 /nfs/dbraw/zinc/30/26/32/740302632.db2.gz MOLHDASYQCBRMG-CYBMUJFWSA-N 2 0 270.380 1.612 10 0 CDAERP CC(C)C[C@@H](CNC(=[NH2+])N1CCO[C@@H](C)C1)[NH+]1CCCC1 ZINC000848984070 740312059 /nfs/dbraw/zinc/31/20/59/740312059.db2.gz KBEMETVCZUAJHH-GJZGRUSLSA-N 2 0 296.459 1.742 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CN(C3CC3)C(=O)O2)[C@@H](C)C1 ZINC000848569457 740381356 /nfs/dbraw/zinc/38/13/56/740381356.db2.gz ALKANYWQRGSXIE-UBHSHLNASA-N 2 0 281.400 1.290 10 0 CDAERP CC(C)OC(=O)N1CCC([NH2+][C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000817911368 740433524 /nfs/dbraw/zinc/43/35/24/740433524.db2.gz KQUWDWVSIFWWOT-STQMWFEESA-N 2 0 269.389 1.465 10 0 CDAERP C[C@@H]1CC[C@H](N[C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C[NH2+]1 ZINC000925720168 740685255 /nfs/dbraw/zinc/68/52/55/740685255.db2.gz XINVZOJUMYGHOT-BJJPWKGXSA-N 2 0 251.418 1.493 10 0 CDAERP C[C@@H]1C[N@H+](CCC[NH2+]CC2(O)CCCCC2)CCCO1 ZINC000819265153 740710995 /nfs/dbraw/zinc/71/09/95/740710995.db2.gz LKZZLNABCHHPSQ-OAHLLOKOSA-N 2 0 284.444 1.772 10 0 CDAERP CC[C@@H]1CCN(C(=[NH2+])N[C@@H]2CCn3ccnc3C2)C1 ZINC000864463868 740758879 /nfs/dbraw/zinc/75/88/79/740758879.db2.gz LWPQVUHZESFTMF-VXGBXAGGSA-N 2 0 261.373 1.454 10 0 CDAERP C[C@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)[NH+]1CCCCC1 ZINC000848594941 740817648 /nfs/dbraw/zinc/81/76/48/740817648.db2.gz HOXGOVILOMRSRL-ZJUUUORDSA-N 2 0 296.337 1.050 10 0 CDAERP CCC[NH2+]CCNC(=O)C[C@@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000841849366 740867639 /nfs/dbraw/zinc/86/76/39/740867639.db2.gz OTCMLFAYTNADKF-GFCCVEGCSA-N 2 0 298.818 1.549 10 0 CDAERP CC[C@@H]1CCN(C(=[NH2+])NCCCN(C)CC[NH+](C)C)C1 ZINC000864467840 741032888 /nfs/dbraw/zinc/03/28/88/741032888.db2.gz ASLKLYAXEKGGAC-CQSZACIVSA-N 2 0 283.464 1.126 10 0 CDAERP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CC[N@H+](C)C(C)(C)CC2)C1 ZINC000712680056 741085884 /nfs/dbraw/zinc/08/58/84/741085884.db2.gz ZHSNKBWENRFJSP-CHWSQXEVSA-N 2 0 267.417 1.317 10 0 CDAERP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@H]2CC3CCC2CC3)C1 ZINC000924963062 741086964 /nfs/dbraw/zinc/08/69/64/741086964.db2.gz DGMUROJBAWHNLB-CKUJCDMFSA-N 2 0 293.455 1.742 10 0 CDAERP O=C1[C@@H]([N@@H+]2CCC3(C2)CC[NH2+]CC3)CCN1C1CCC1 ZINC000866660492 741207194 /nfs/dbraw/zinc/20/71/94/741207194.db2.gz JJWODIAYJOXPTQ-AWEZNQCLSA-N 2 0 277.412 1.215 10 0 CDAERP [NH3+]CCCCCCCN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000843379078 741208091 /nfs/dbraw/zinc/20/80/91/741208091.db2.gz TYXKYXCBENBODN-MRXNPFEDSA-N 2 0 276.428 1.937 10 0 CDAERP CCO[C@H](CN[C@H]1CC[NH2+]C12CCCC2)C[NH+](C)C ZINC000925837313 741267529 /nfs/dbraw/zinc/26/75/29/741267529.db2.gz GAMOEHPJTKDXAS-KGLIPLIRSA-N 2 0 269.433 1.217 10 0 CDAERP C[N@@H+]1C[C@@H]2CN(Cc3cnc(N)s3)C[C@]2(C)C1 ZINC000702418902 741293649 /nfs/dbraw/zinc/29/36/49/741293649.db2.gz IBDHICCXYVUHKG-SKDRFNHKSA-N 2 0 252.387 1.109 10 0 CDAERP C[C@@H](C(=O)N1CCCCCC1)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723886923 741349339 /nfs/dbraw/zinc/34/93/39/741349339.db2.gz OCOVGVMNDCIJDP-QLFBSQMISA-N 2 0 281.444 1.694 10 0 CDAERP C[C@H]([NH2+]CC1(O)CCCCC1)C1=CC[N@H+](C)CC1 ZINC000819219929 741389609 /nfs/dbraw/zinc/38/96/09/741389609.db2.gz INHZOTCLLWAICN-ZDUSSCGKSA-N 2 0 252.402 1.922 10 0 CDAERP CC1(C)[C@@H]([NH2+]C[C@H](CO)Cc2ccco2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925475356 741444038 /nfs/dbraw/zinc/44/40/38/741444038.db2.gz MBGSDCIFUMHEBL-OJLVUWQFSA-N 2 0 292.423 1.797 10 0 CDAERP C[C@@H](O)[C@H](C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000808424849 741521918 /nfs/dbraw/zinc/52/19/18/741521918.db2.gz BAJBNNCYEDEPBJ-QWHCGFSZSA-N 2 0 266.385 1.486 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000925538080 741562072 /nfs/dbraw/zinc/56/20/72/741562072.db2.gz QRFWGEJZGOMIMO-ZIAGYGMSSA-N 2 0 251.418 1.735 10 0 CDAERP C[C@@H]1CN(C(=[NH2+])NCCCC[N@H+]2CCC[C@H](C)C2)CCO1 ZINC000848989902 741572601 /nfs/dbraw/zinc/57/26/01/741572601.db2.gz KFBYVLPALCIKMQ-LSDHHAIUSA-N 2 0 296.459 1.744 10 0 CDAERP C[C@@H]1C[N@H+](CCCNC(=[NH2+])NC2CCCCC2)CCCO1 ZINC000849022805 741696137 /nfs/dbraw/zinc/69/61/37/741696137.db2.gz YWLYPQKTFQLISA-CQSZACIVSA-N 2 0 296.459 1.934 10 0 CDAERP C[C@H](Cc1cccs1)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925809981 741755048 /nfs/dbraw/zinc/75/50/48/741755048.db2.gz MBTBHAVRNOKAFG-GFCCVEGCSA-N 2 0 267.442 1.692 10 0 CDAERP CCC[C@@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723920897 741758302 /nfs/dbraw/zinc/75/83/02/741758302.db2.gz AUBKNVXMSMOMRP-YIYPIFLZSA-N 2 0 269.433 1.596 10 0 CDAERP CC1(C)CCC[N@H+](CCNC2=[NH+]CCCCN2)C1 ZINC000849216469 741805655 /nfs/dbraw/zinc/80/56/55/741805655.db2.gz IEMZJYCZSODVIV-UHFFFAOYSA-N 2 0 252.406 1.437 10 0 CDAERP C[N@H+](CCC[NH2+]C[C@H](O)C1CC1)Cc1ccccc1 ZINC000818943710 741807043 /nfs/dbraw/zinc/80/70/43/741807043.db2.gz YJTAPMAKOIBUIP-INIZCTEOSA-N 2 0 262.397 1.869 10 0 CDAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CCCCCCO)CC2 ZINC000923453469 741897061 /nfs/dbraw/zinc/89/70/61/741897061.db2.gz MUPIFBLRKMJCIY-AWEZNQCLSA-N 2 0 270.417 1.369 10 0 CDAERP C[NH+](C)CCN1C(=O)C[C@@H]([NH+]2CCCCCCCC2)C1=O ZINC000821781459 741956280 /nfs/dbraw/zinc/95/62/80/741956280.db2.gz RJEZGINSXGHEGR-CQSZACIVSA-N 2 0 295.427 1.332 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000852865220 741995452 /nfs/dbraw/zinc/99/54/52/741995452.db2.gz VUAYMRXHJULSQS-UHFFFAOYSA-N 2 0 283.335 1.516 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CN(C3CC3)C(=O)O2)[C@H](C)C1 ZINC000848569458 741998162 /nfs/dbraw/zinc/99/81/62/741998162.db2.gz ALKANYWQRGSXIE-XBFCOCLRSA-N 2 0 281.400 1.290 10 0 CDAERP C[N@@H+]1CC[C@@H]2CN(C(=O)CCCCC[NH3+])CC[C@H]21 ZINC000870981764 742011993 /nfs/dbraw/zinc/01/19/93/742011993.db2.gz JYQCHQBARJCVJQ-CHWSQXEVSA-N 2 0 253.390 1.058 10 0 CDAERP CC[NH+](CC)CCCN1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923533483 742042455 /nfs/dbraw/zinc/04/24/55/742042455.db2.gz LVDQBHBPIGNMGG-OAHLLOKOSA-N 2 0 253.434 1.936 10 0 CDAERP [NH3+][C@H]1C[C@H]([NH2+]C2CCC3(CC2)OCCO3)C12CCC2 ZINC000715589493 742098568 /nfs/dbraw/zinc/09/85/68/742098568.db2.gz QXXHSXBBEMDWPN-STQMWFEESA-N 2 0 266.385 1.532 10 0 CDAERP CC1(C)[C@H](NC[C@H]2CCC[NH2+]C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925691670 742125150 /nfs/dbraw/zinc/12/51/50/742125150.db2.gz JKXIENFNQPHVLZ-RFQIPJPRSA-N 2 0 251.418 1.352 10 0 CDAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](C[C@@H]1C[C@H]3CCC[C@@H]3O1)CC2 ZINC000923445596 742178445 /nfs/dbraw/zinc/17/84/45/742178445.db2.gz KQQPMARCRXCMCJ-UGUYLWEFSA-N 2 0 294.439 1.774 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)N[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000925341004 742204652 /nfs/dbraw/zinc/20/46/52/742204652.db2.gz LREOVJJZLCSELH-MGPQQGTHSA-N 2 0 282.432 1.203 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)NCC[NH2+]C1CCCCCC1 ZINC000852799001 742268038 /nfs/dbraw/zinc/26/80/38/742268038.db2.gz PPOZFDPGSZTVQW-UHFFFAOYSA-N 2 0 279.428 1.725 10 0 CDAERP CC(=O)NCC1CCC([NH2+]CCN2CC[C@H](C)C2)CC1 ZINC000865480175 742304451 /nfs/dbraw/zinc/30/44/51/742304451.db2.gz WJRFQWKDXSMUEP-JEYLPNPQSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@H]([NH3+])CN(C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000861615250 742305128 /nfs/dbraw/zinc/30/51/28/742305128.db2.gz INMYIYWXCONZDM-QEJZJMRPSA-N 2 0 290.411 1.420 10 0 CDAERP CC(C)N1CC[C@H]([NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)C1=O ZINC000925601703 742345716 /nfs/dbraw/zinc/34/57/16/742345716.db2.gz NDPHJCZQNZPBNM-AVGNSLFASA-N 2 0 267.417 1.491 10 0 CDAERP CC1(C)OC[C@@H]2C[C@@]21[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000864049943 742348918 /nfs/dbraw/zinc/34/89/18/742348918.db2.gz PEQFBNPVQYECCJ-WMLDXEAASA-N 2 0 272.392 1.989 10 0 CDAERP C[C@@H]1CC[C@@H](C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000870021573 742369732 /nfs/dbraw/zinc/36/97/32/742369732.db2.gz IGHXJLPKIUKQBJ-KLHDSHLOSA-N 2 0 295.471 1.620 10 0 CDAERP CC[NH+]1CCC([NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000848571348 742371930 /nfs/dbraw/zinc/37/19/30/742371930.db2.gz QRPDMPYQNSUJET-CYBMUJFWSA-N 2 0 267.373 1.044 10 0 CDAERP C[N@H+](CCCCCC[NH3+])CC(=O)Nc1ccon1 ZINC000872155680 742452749 /nfs/dbraw/zinc/45/27/49/742452749.db2.gz YJLQBGNHIAHPMP-UHFFFAOYSA-N 2 0 254.334 1.064 10 0 CDAERP Nc1cccc(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)c1 ZINC000923451545 742570019 /nfs/dbraw/zinc/57/00/19/742570019.db2.gz OFPMQCBLAKXGQU-OAHLLOKOSA-N 2 0 275.396 1.599 10 0 CDAERP Cc1cn(C)nc1CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000723971199 742604493 /nfs/dbraw/zinc/60/44/93/742604493.db2.gz MTJBZUPXJBAQHB-KGLIPLIRSA-N 2 0 262.401 1.693 10 0 CDAERP CCCC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCO1 ZINC000848998277 742632236 /nfs/dbraw/zinc/63/22/36/742632236.db2.gz NYIIFORBBZVYCN-HUUCEWRRSA-N 2 0 296.459 1.934 10 0 CDAERP CCC[C@H](O)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000927014298 742643515 /nfs/dbraw/zinc/64/35/15/742643515.db2.gz BXCZORDUYQCLAY-BYNSBNAKSA-N 2 0 254.418 2.000 10 0 CDAERP [NH3+]CCCCCC[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923451897 742651368 /nfs/dbraw/zinc/65/13/68/742651368.db2.gz NRJAUKIPYNLILA-AWEZNQCLSA-N 3 0 269.433 1.335 10 0 CDAERP CCS(=O)(=O)C1(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925705888 742666288 /nfs/dbraw/zinc/66/62/88/742666288.db2.gz ITLVQKRUJZZQBF-NEPJUHHUSA-N 2 0 288.457 1.449 10 0 CDAERP O[C@H](C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)C1(O)CCC1 ZINC000930060526 742678517 /nfs/dbraw/zinc/67/85/17/742678517.db2.gz KQQJTIURMQNCJE-VNQPRFMTSA-N 2 0 294.439 1.211 10 0 CDAERP CC(C)CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870025760 742710481 /nfs/dbraw/zinc/71/04/81/742710481.db2.gz XIGXROWHZNKSEZ-ZIAGYGMSSA-N 2 0 269.433 1.230 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262320804 742732801 /nfs/dbraw/zinc/73/28/01/742732801.db2.gz COGXKJGMMFAPON-XQQFMLRXSA-N 2 0 255.406 1.221 10 0 CDAERP CC[NH+]1CCC(C[NH2+]Cc2cnn(CCF)c2)CC1 ZINC000921686839 742730726 /nfs/dbraw/zinc/73/07/26/742730726.db2.gz PSUPWUFTNVWOLJ-UHFFFAOYSA-N 2 0 268.380 1.674 10 0 CDAERP CC(=O)NCCCCCN1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000931548210 742751452 /nfs/dbraw/zinc/75/14/52/742751452.db2.gz VNBHFODGTSPETD-CABCVRRESA-N 2 0 267.417 1.319 10 0 CDAERP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)C1 ZINC000863488602 742785369 /nfs/dbraw/zinc/78/53/69/742785369.db2.gz YEHVQWJLXHYPLL-IRCOFANPSA-N 2 0 290.354 1.694 10 0 CDAERP COCC[N@H+](C)CCCN[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925543232 742801143 /nfs/dbraw/zinc/80/11/43/742801143.db2.gz LPDRQDBXFNXNRC-KBPBESRZSA-N 2 0 271.449 1.450 10 0 CDAERP COC(=O)N1CCC([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000848559413 742807818 /nfs/dbraw/zinc/80/78/18/742807818.db2.gz WJEBRCCUHWRGFE-BJHJDKERSA-N 2 0 269.389 1.147 10 0 CDAERP COC1(OC)CC[C@H]1[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000924957654 742816454 /nfs/dbraw/zinc/81/64/54/742816454.db2.gz GUYJNQCNVHPWLS-OAHLLOKOSA-N 2 0 299.459 1.001 10 0 CDAERP CCCC[N@H+](C[C@@H](O)CO)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034120 742816720 /nfs/dbraw/zinc/81/67/20/742816720.db2.gz OFLBKESKRCENBB-CQSZACIVSA-N 2 0 286.460 1.751 10 0 CDAERP CCOC(=O)CCCC[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923496552 742822694 /nfs/dbraw/zinc/82/26/94/742822694.db2.gz HNZPRRQOXJOYOX-QWHCGFSZSA-N 2 0 256.390 1.637 10 0 CDAERP [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc(Cl)cn3)C[C@@H]12 ZINC000703861342 742824940 /nfs/dbraw/zinc/82/49/40/742824940.db2.gz TZAWHNJMGSLTNV-ZWKOPEQDSA-N 2 0 251.761 1.904 10 0 CDAERP C[C@H]([NH3+])C1CCN(C(=O)CCC23CC(C2)C[NH2+]3)CC1 ZINC000870934844 1165236130 /nfs/dbraw/zinc/23/61/30/1165236130.db2.gz GQFZVUQPTVJIBX-BZUNDVKYSA-N 2 0 265.401 1.104 10 0 CDAERP CC(C)[C@H]([NH3+])C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000870994725 1165250963 /nfs/dbraw/zinc/25/09/63/1165250963.db2.gz ULFVOXYOVDRBOH-FZMZJTMJSA-N 2 0 255.406 1.193 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC2=CC[N@H+](C)CC2)C1 ZINC001632710334 1166370206 /nfs/dbraw/zinc/37/02/06/1166370206.db2.gz OWEQIRHGLWLOGD-CABCVRRESA-N 2 0 279.428 1.485 10 0 CDAERP C[NH+](C)C[C@H]1CCN(C(=O)NCCCC[N@H+](C)C2CC2)C1 ZINC001635961966 1166636431 /nfs/dbraw/zinc/63/64/31/1166636431.db2.gz SIHZRTPJAXPDPO-CQSZACIVSA-N 2 0 296.459 1.454 10 0 CDAERP CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CC[N@H+](C)CC ZINC001565942190 1168203769 /nfs/dbraw/zinc/20/37/69/1168203769.db2.gz WDXOCSTZTGJQTE-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)=CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001566713129 1168398156 /nfs/dbraw/zinc/39/81/56/1168398156.db2.gz XBVKELNZERZZFP-FVQBIDKESA-N 2 0 293.455 1.777 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001483675765 912589334 /nfs/dbraw/zinc/58/93/34/912589334.db2.gz HAKIFMDIHSIISQ-KGLIPLIRSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001483675764 912590054 /nfs/dbraw/zinc/59/00/54/912590054.db2.gz HAKIFMDIHSIISQ-KBPBESRZSA-N 2 0 281.444 1.565 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001266244552 893900566 /nfs/dbraw/zinc/90/05/66/893900566.db2.gz RMAZCDHQWRSHEF-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000167660427 894022704 /nfs/dbraw/zinc/02/27/04/894022704.db2.gz WORDQWFTLJIGAX-MGPQQGTHSA-N 2 0 265.401 1.104 10 0 CDAERP CC[N@H+](C)CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001266288982 894166850 /nfs/dbraw/zinc/16/68/50/894166850.db2.gz XIHOAQRTGSFGNW-OLZOCXBDSA-N 2 0 253.390 1.071 10 0 CDAERP CCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001266565602 895383176 /nfs/dbraw/zinc/38/31/76/895383176.db2.gz GCLQPZDDMZDPQF-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@@H](F)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001266699756 895857843 /nfs/dbraw/zinc/85/78/43/895857843.db2.gz NZKKZFGKAWCPTC-KGLIPLIRSA-N 2 0 287.423 1.655 10 0 CDAERP CC(C)CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001283101862 895917473 /nfs/dbraw/zinc/91/74/73/895917473.db2.gz ATUONGCNPAMRRC-JYJNAYRXSA-N 2 0 295.471 1.859 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH2+]CCF ZINC001266880968 896273077 /nfs/dbraw/zinc/27/30/77/896273077.db2.gz QWEFYQLSNLXYMY-CYBMUJFWSA-N 2 0 273.396 1.268 10 0 CDAERP C[NH+]1CCN(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)S3)CC1 ZINC000403655394 896582640 /nfs/dbraw/zinc/58/26/40/896582640.db2.gz IUYKGGMSQHRTGM-GOOCMWNKSA-N 2 0 283.485 1.640 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@H]1CCC[C@@H]([NH2+]CCCF)C1 ZINC001267092405 896757711 /nfs/dbraw/zinc/75/77/11/896757711.db2.gz AZBDLLPVKPSFRK-KGLIPLIRSA-N 2 0 285.407 1.459 10 0 CDAERP CN(CC[NH2+]CC1CC(C)(C)C1)C(=O)CC[NH+](C)C ZINC001567555288 1168852443 /nfs/dbraw/zinc/85/24/43/1168852443.db2.gz GJVLWCNDXQJUEE-UHFFFAOYSA-N 2 0 269.433 1.422 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]CC2=CCCCC2)C1 ZINC001567560361 1168855715 /nfs/dbraw/zinc/85/57/15/1168855715.db2.gz ASXFJOATZMCWSX-HNNXBMFYSA-N 2 0 293.455 1.877 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001267307895 897553281 /nfs/dbraw/zinc/55/32/81/897553281.db2.gz XYGXVKIMZNTPQX-HOTGVXAUSA-N 2 0 295.471 1.957 10 0 CDAERP CCCCC[NH2+]CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001267455915 897931893 /nfs/dbraw/zinc/93/18/93/897931893.db2.gz HAZUXBUMRZEOCY-CQSZACIVSA-N 2 0 269.433 1.566 10 0 CDAERP CC[C@@H](C(=O)NCC1C[NH+](CCC(C)C)C1)[NH+](C)C ZINC001267696319 899309190 /nfs/dbraw/zinc/30/91/90/899309190.db2.gz SCSWRTXNYFIFOS-AWEZNQCLSA-N 2 0 269.433 1.421 10 0 CDAERP Cc1cccnc1C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001481216192 899404549 /nfs/dbraw/zinc/40/45/49/899404549.db2.gz UJQLRIUCUVNTHX-HNNXBMFYSA-N 2 0 290.411 1.032 10 0 CDAERP CC[C@@H](C(=O)N(C)CC[NH2+]Cc1cccnc1C)[NH+](C)C ZINC001481281698 900017163 /nfs/dbraw/zinc/01/71/63/900017163.db2.gz XOJSWDRJTLMAJN-HNNXBMFYSA-N 2 0 292.427 1.278 10 0 CDAERP COCC[NH2+]C[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001267987209 900198096 /nfs/dbraw/zinc/19/80/96/900198096.db2.gz SJMVQSHRHIZJME-AWEZNQCLSA-N 2 0 299.459 1.239 10 0 CDAERP CCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](CC[C@H](C)F)C1 ZINC001421374537 900346180 /nfs/dbraw/zinc/34/61/80/900346180.db2.gz RQNBYUFWPYVUMN-UONOGXRCSA-N 2 0 287.423 1.609 10 0 CDAERP C[NH+](C)CCC(=O)NCC1C[NH+](CCCC2CCC2)C1 ZINC001481642617 901584576 /nfs/dbraw/zinc/58/45/76/901584576.db2.gz MDIVLVWQCOPJBJ-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001481695344 901821799 /nfs/dbraw/zinc/82/17/99/901821799.db2.gz WJNFNMPLGAGEBL-ZDUSSCGKSA-N 2 0 255.406 1.317 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CC[NH+](CCCCCF)C2)C1 ZINC001481708221 901871019 /nfs/dbraw/zinc/87/10/19/901871019.db2.gz PGNDQUVLKUEKAF-LSDHHAIUSA-N 2 0 299.434 1.659 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CCC1CC1 ZINC001481812678 902166821 /nfs/dbraw/zinc/16/68/21/902166821.db2.gz RGKOZICLJLBJCB-HZPDHXFCSA-N 2 0 293.455 1.613 10 0 CDAERP CC(C)=CC[NH2+]CC1(NC(=O)Cc2c[nH]cn2)CCCC1 ZINC001481907416 902298587 /nfs/dbraw/zinc/29/85/87/902298587.db2.gz NZRZEUPVTKOXBT-UHFFFAOYSA-N 2 0 290.411 1.937 10 0 CDAERP CCCC[NH2+]C/C=C\CNC(=O)[C@H]1CCc2nccn2C1 ZINC001268559175 902561466 /nfs/dbraw/zinc/56/14/66/902561466.db2.gz BSGAHRUTTBRGDQ-WSNITJDQSA-N 2 0 290.411 1.508 10 0 CDAERP C[C@@H](C(=O)NC/C=C\C[NH2+]CCCF)[NH+]1CCCCCC1 ZINC001268597641 902792803 /nfs/dbraw/zinc/79/28/03/902792803.db2.gz TXCOWSADJKFVGG-XVWMLYKFSA-N 2 0 299.434 1.873 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+]Cc2ccccc2)C1 ZINC001268625367 902839463 /nfs/dbraw/zinc/83/94/63/902839463.db2.gz GYDCAJUVLAKTDM-KJPDOMRESA-N 2 0 287.407 1.400 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C)C[NH2+]CCc1ccns1)[NH+](C)C ZINC001268670325 902925866 /nfs/dbraw/zinc/92/58/66/902925866.db2.gz YMHOFCLKJFHLGA-YPMHNXCESA-N 2 0 298.456 1.120 10 0 CDAERP O=C(N[C@@H](C[NH2+]C/C=C/Cl)C1CC1)C12CC[NH+](CC1)C2 ZINC001269134618 903461441 /nfs/dbraw/zinc/46/14/41/903461441.db2.gz BYXFSBDYCPTNTA-VXYHDWQYSA-N 2 0 297.830 1.319 10 0 CDAERP CC[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC=C(C)C ZINC001269412801 903789945 /nfs/dbraw/zinc/78/99/45/903789945.db2.gz LPOYFRAYLKEONV-AWEZNQCLSA-N 2 0 281.444 1.921 10 0 CDAERP CC/C=C\CC[NH+]1CC(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001567841083 1169008990 /nfs/dbraw/zinc/00/89/90/1169008990.db2.gz OIIDOGMBQXOVLX-XVWMLYKFSA-N 2 0 293.455 1.733 10 0 CDAERP C[N@@H+]1CCN(C(=O)[C@@H]2CCCC[C@H]2[NH3+])CCC1(C)C ZINC000712678862 904546534 /nfs/dbraw/zinc/54/65/34/904546534.db2.gz PNDOYASXJREPPI-CHWSQXEVSA-N 2 0 267.417 1.447 10 0 CDAERP CC[C@@H](C(=O)N1CC[C@](C)(C[NH2+]CCF)C1)[NH+](C)C ZINC001270797158 905045077 /nfs/dbraw/zinc/04/50/77/905045077.db2.gz MPQGPFQBOKOYKX-GXTWGEPZSA-N 2 0 273.396 1.124 10 0 CDAERP CCC[NH2+]C[C@@]1(C)CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001270830556 905115551 /nfs/dbraw/zinc/11/55/51/905115551.db2.gz SIYATVWELZFNMI-MRXNPFEDSA-N 2 0 283.460 1.957 10 0 CDAERP CCCC[NH2+]C[C@@H](C)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482354602 905178856 /nfs/dbraw/zinc/17/88/56/905178856.db2.gz RLICSGGBHIXIMG-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)OCC[NH2+]CC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001272993401 921346510 /nfs/dbraw/zinc/34/65/10/921346510.db2.gz IAQBKTDNABXAEE-AWEZNQCLSA-N 2 0 299.459 1.238 10 0 CDAERP Cc1ccccc1C[NH2+]CC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001482867595 908447945 /nfs/dbraw/zinc/44/79/45/908447945.db2.gz JOVJXUXJGLIVDB-OAHLLOKOSA-N 2 0 291.439 1.931 10 0 CDAERP C[C@@H](CC[NH2+]C[C@@H]1CCCCO1)NC(=O)Cc1c[nH]cn1 ZINC001482874489 908453684 /nfs/dbraw/zinc/45/36/84/908453684.db2.gz YFGANFJRNNXSGP-JSGCOSHPSA-N 2 0 294.399 1.006 10 0 CDAERP CCN(CC[NH2+]CC1CC1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001482931551 908499709 /nfs/dbraw/zinc/49/97/09/908499709.db2.gz TVLFADCBIHUMBB-JKSUJKDBSA-N 2 0 293.455 1.851 10 0 CDAERP CCN(CC[NH2+]CC1=CCCCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001482967246 908551230 /nfs/dbraw/zinc/55/12/30/908551230.db2.gz OVVIRXXWPSTUJV-INIZCTEOSA-N 2 0 293.455 1.877 10 0 CDAERP C[NH+](C)Cc1ccsc1C(=O)NC/C=C/C[NH2+]CCF ZINC001483015034 908691923 /nfs/dbraw/zinc/69/19/23/908691923.db2.gz CJCJNBHAHRCWEF-ONEGZZNKSA-N 2 0 299.415 1.655 10 0 CDAERP CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[C@@H]([NH3+])C(C)C)C1 ZINC000713050607 909601695 /nfs/dbraw/zinc/60/16/95/909601695.db2.gz KMCMKTCLBOABLW-OLZOCXBDSA-N 2 0 269.433 1.596 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001483138454 909784879 /nfs/dbraw/zinc/78/48/79/909784879.db2.gz YABUMVFDNBACFL-VXGBXAGGSA-N 2 0 273.396 1.313 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC1CC1 ZINC001425689114 910383190 /nfs/dbraw/zinc/38/31/90/910383190.db2.gz BJAJOGZBWQEJOJ-UKRRQHHQSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H](C[NH2+]CC1CC(F)(F)C1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001483293249 910806636 /nfs/dbraw/zinc/80/66/36/910806636.db2.gz APRJAADUFFKIGW-CMPLNLGQSA-N 2 0 289.370 1.078 10 0 CDAERP CC(C)[NH+](C)CC(=O)N[C@H](C)C[N@H+](C)CC[C@@H]1CCOC1 ZINC001483422149 911094428 /nfs/dbraw/zinc/09/44/28/911094428.db2.gz VBJIKYSPVSLWKP-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]C/C=C/Cl)C1CC1 ZINC001483569605 911275050 /nfs/dbraw/zinc/27/50/50/911275050.db2.gz BYDDTLDKMIIJKH-CCRJBVLDSA-N 2 0 299.846 1.708 10 0 CDAERP CC[NH2+]C[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1C ZINC001484385728 915710573 /nfs/dbraw/zinc/71/05/73/915710573.db2.gz OKYFSUSRCMKGQN-HOTGVXAUSA-N 2 0 295.471 1.957 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](C/C=C\Cl)CC1 ZINC001484723116 916084190 /nfs/dbraw/zinc/08/41/90/916084190.db2.gz LVLAVWHHHHXXJF-IBSXUBTNSA-N 2 0 287.835 1.661 10 0 CDAERP CCOCCC[NH2+]C1(C)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001484920617 916277072 /nfs/dbraw/zinc/27/70/72/916277072.db2.gz FHJNEWORTAWWBH-UHFFFAOYSA-N 2 0 299.459 1.335 10 0 CDAERP CC/C=C/CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001485289245 916764887 /nfs/dbraw/zinc/76/48/87/916764887.db2.gz SNOSTWFUTAADRF-CNBITHIKSA-N 2 0 297.443 1.110 10 0 CDAERP CCCC[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001493571436 916818685 /nfs/dbraw/zinc/81/86/85/916818685.db2.gz VUUFUSWHHLENFG-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP CCCC[C@@H](C[NH2+]CC)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001485470827 916999746 /nfs/dbraw/zinc/99/97/46/916999746.db2.gz SIIJJQBCLCHZIT-HOCLYGCPSA-N 2 0 281.444 1.757 10 0 CDAERP CC(C)C[NH+]1CC([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001485537350 917067732 /nfs/dbraw/zinc/06/77/32/917067732.db2.gz KNCHWVIATTYUOX-CYBMUJFWSA-N 2 0 267.417 1.175 10 0 CDAERP C[C@H](C[NH2+]CC1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001568273278 1169216784 /nfs/dbraw/zinc/21/67/84/1169216784.db2.gz KGDAFKXCBVFRIU-YRGRVCCFSA-N 2 0 267.417 1.173 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CCF ZINC001568282277 1169222459 /nfs/dbraw/zinc/22/24/59/1169222459.db2.gz GMBDTYHTSZCCEN-ZIAGYGMSSA-N 2 0 287.423 1.513 10 0 CDAERP COCCC[NH2+][C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001490901972 936679184 /nfs/dbraw/zinc/67/91/84/936679184.db2.gz IRGOVHNXQHAEHW-RBSFLKMASA-N 2 0 297.443 1.134 10 0 CDAERP CCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001486137384 920741090 /nfs/dbraw/zinc/74/10/90/920741090.db2.gz VEPPKWVYHJDYGP-UONOGXRCSA-N 2 0 269.433 1.706 10 0 CDAERP CC(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001491028727 936843735 /nfs/dbraw/zinc/84/37/35/936843735.db2.gz OGDLGNMRPQOLMT-MJBXVCDLSA-N 2 0 269.433 1.465 10 0 CDAERP C(C[NH2+]C1CC1)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000923411709 923817929 /nfs/dbraw/zinc/81/79/29/923817929.db2.gz SJCIUEZAJBBVJA-MRXNPFEDSA-N 3 0 281.444 1.219 10 0 CDAERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@H](O)C2CC2)C1 ZINC000838861884 936891550 /nfs/dbraw/zinc/89/15/50/936891550.db2.gz AHKLKIPJPJHSBW-CABCVRRESA-N 2 0 270.417 1.190 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H](C[NH2+]CC2CC2)C2CC2)C1 ZINC001410308966 925511782 /nfs/dbraw/zinc/51/17/82/925511782.db2.gz KOVIGLLGUPOKAS-CJNGLKHVSA-N 2 0 293.455 1.565 10 0 CDAERP CC[NH2+]C1(CC)CCN(C(=O)Cc2cnc[nH]2)CC1 ZINC001273788846 925881906 /nfs/dbraw/zinc/88/19/06/925881906.db2.gz ASZWOLHMGFUMDS-UHFFFAOYSA-N 2 0 264.373 1.333 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]C[C@H](F)CC)C1 ZINC001442146758 937041648 /nfs/dbraw/zinc/04/16/48/937041648.db2.gz DTQCGXNLVCXPTH-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP CCN(C(=O)C[NH+]1CC[C@H](C)C1)[C@H]1CC[N@H+](CC2CC2)C1 ZINC001494910263 926081217 /nfs/dbraw/zinc/08/12/17/926081217.db2.gz MFPBHDLICLEHRS-HOCLYGCPSA-N 2 0 293.455 1.661 10 0 CDAERP CCC[NH2+][C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001491549276 937112615 /nfs/dbraw/zinc/11/26/15/937112615.db2.gz SRSAIMBATBAKQM-GFCCVEGCSA-N 2 0 255.406 1.365 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC[C@H]2CCCO2)C1 ZINC001490580370 927241850 /nfs/dbraw/zinc/24/18/50/927241850.db2.gz YCYKPNHTXDWCPF-LSDHHAIUSA-N 2 0 297.443 1.086 10 0 CDAERP CCCC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001490679340 927278648 /nfs/dbraw/zinc/27/86/48/927278648.db2.gz KDYGSMRGJNICCZ-HUUCEWRRSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C=C2CC[NH2+]CC2)C1 ZINC000852862801 927899095 /nfs/dbraw/zinc/89/90/95/927899095.db2.gz GXTVWRBAHRZBEB-OAHLLOKOSA-N 2 0 279.428 1.533 10 0 CDAERP CCOCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001318414058 930375790 /nfs/dbraw/zinc/37/57/90/930375790.db2.gz RMDBQGPJZXXOOS-GJZGRUSLSA-N 2 0 297.443 1.040 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NC/C=C\C[NH2+]CC2CCC2)CC[N@@H+]1C ZINC001274310086 931489802 /nfs/dbraw/zinc/48/98/02/931489802.db2.gz LMCRUEHHKVLFGJ-XJNRFOTBSA-N 2 0 293.455 1.779 10 0 CDAERP C[NH+]1CCC(C(=O)NC/C=C\C[NH2+]C/C=C\Cl)CC1 ZINC001274330718 931491233 /nfs/dbraw/zinc/49/12/33/931491233.db2.gz GBESVYARADYESO-JXPISWCDSA-N 2 0 285.819 1.343 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001274803296 931580599 /nfs/dbraw/zinc/58/05/99/931580599.db2.gz CPVRLPUCEQVQRK-OAHLLOKOSA-N 2 0 293.455 1.923 10 0 CDAERP CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001275434026 931789312 /nfs/dbraw/zinc/78/93/12/931789312.db2.gz QWTMPOOFEWXYJC-NWDGAFQWSA-N 2 0 253.390 1.118 10 0 CDAERP C[C@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H](C)[NH2+]CC1CC1 ZINC001275472214 931815265 /nfs/dbraw/zinc/81/52/65/931815265.db2.gz VXHAXNYCNDULJX-RYUDHWBXSA-N 2 0 267.417 1.221 10 0 CDAERP CCC[NH2+]CC(C)(C)CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001275676318 931950088 /nfs/dbraw/zinc/95/00/88/931950088.db2.gz CXTZZETUGRXHGM-UHFFFAOYSA-N 2 0 283.460 1.955 10 0 CDAERP CCOCC[N@H+](C)[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001275944475 932158281 /nfs/dbraw/zinc/15/82/81/932158281.db2.gz GPQVTIOQRSDCAX-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP CN(CC1C[NH+](C)C1)C(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC001412326921 932377867 /nfs/dbraw/zinc/37/78/67/932377867.db2.gz YQXHJZNMKCINOE-UHFFFAOYSA-N 2 0 291.395 1.509 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001412497007 932456507 /nfs/dbraw/zinc/45/65/07/932456507.db2.gz CZPWFFLDEXRDOQ-HZPDHXFCSA-N 2 0 293.455 1.659 10 0 CDAERP CC(C)C[N@H+](C[C@@H](O)[C@@H](C)O)CC1CC[NH+](C)CC1 ZINC000931564652 933588617 /nfs/dbraw/zinc/58/86/17/933588617.db2.gz MLKIGGDBXBQLOB-UKRRQHHQSA-N 2 0 272.433 1.028 10 0 CDAERP Cc1ccccc1[C@H](O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000686008642 933762423 /nfs/dbraw/zinc/76/24/23/933762423.db2.gz AFFOIIWPJPHOBB-GOEBONIOSA-N 2 0 262.397 1.912 10 0 CDAERP Cc1coc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)c1 ZINC000718095660 934764562 /nfs/dbraw/zinc/76/45/62/934764562.db2.gz XABLZJGLOBKVNO-UHFFFAOYSA-N 2 0 265.401 1.704 10 0 CDAERP C[N@@H+]1C[C@]23C[NH+](CCC4OCCCO4)C[C@@]2(C1)CCCC3 ZINC001413094802 935900420 /nfs/dbraw/zinc/90/04/20/935900420.db2.gz KJDGKLFZRIYYKG-CALCHBBNSA-N 2 0 294.439 1.947 10 0 CDAERP CC/C=C\CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001276552719 940281803 /nfs/dbraw/zinc/28/18/03/940281803.db2.gz MQERORMSUVJQMZ-XETQRACLSA-N 2 0 293.455 1.921 10 0 CDAERP CCC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001276589676 940393293 /nfs/dbraw/zinc/39/32/93/940393293.db2.gz RVBFTJQPUHNRRV-BNOWGMLFSA-N 2 0 267.417 1.221 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(CC)CC[NH2+]C(C)C)CC[N@@H+]1C ZINC001568743476 1169458749 /nfs/dbraw/zinc/45/87/49/1169458749.db2.gz SDPCZZMSAZEFBT-UONOGXRCSA-N 2 0 269.433 1.563 10 0 CDAERP C[NH+](C)CCC1CCN(C(=O)C(C)(C)c2cnc[nH]2)CC1 ZINC001362044478 970812431 /nfs/dbraw/zinc/81/24/31/970812431.db2.gz YSDHLXGAPFCOMP-UHFFFAOYSA-N 2 0 292.427 1.878 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1CCC(C)C ZINC001276963695 941742358 /nfs/dbraw/zinc/74/23/58/941742358.db2.gz LHSGGLTXIMFLLA-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001283900693 943023191 /nfs/dbraw/zinc/02/31/91/943023191.db2.gz WVVODRQSLDHTLV-MFHOCJEASA-N 2 0 281.444 1.873 10 0 CDAERP CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001277663017 943266138 /nfs/dbraw/zinc/26/61/38/943266138.db2.gz REVBQPXOCCMFGN-KGLIPLIRSA-N 2 0 269.433 1.563 10 0 CDAERP CC[C@@H](C(=O)NCC1=CC[N@H+](C[C@H](C)OC)CC1)[NH+](C)C ZINC001284956443 943300128 /nfs/dbraw/zinc/30/01/28/943300128.db2.gz DMBDEWPLVCPHAN-ZFWWWQNUSA-N 2 0 297.443 1.110 10 0 CDAERP CCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001277784931 943584948 /nfs/dbraw/zinc/58/49/48/943584948.db2.gz BZFFSGBXBCFNQD-KGLIPLIRSA-N 2 0 269.433 1.706 10 0 CDAERP C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[NH2+]CC1CC1 ZINC001264517925 944145326 /nfs/dbraw/zinc/14/53/26/944145326.db2.gz MWZKUMZTWIMHEH-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP CCOCC[NH+]1CCC(N(C)C(=O)CCC[NH+](C)C)CC1 ZINC001265195720 944267902 /nfs/dbraw/zinc/26/79/02/944267902.db2.gz KDTWADSZUJJBAD-UHFFFAOYSA-N 2 0 299.459 1.288 10 0 CDAERP CCCCC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001265232780 944290647 /nfs/dbraw/zinc/29/06/47/944290647.db2.gz FTSDJRWAAGIILN-HNNXBMFYSA-N 2 0 281.444 1.853 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001265301499 944333895 /nfs/dbraw/zinc/33/38/95/944333895.db2.gz LUXNDLXZIHPGOT-CHWSQXEVSA-N 2 0 255.406 1.175 10 0 CDAERP CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001265595139 944439858 /nfs/dbraw/zinc/43/98/58/944439858.db2.gz SWEJQZQVJLDJJW-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N2CCCC[C@@H]2C[NH2+]CCF)C1 ZINC001265687569 944470050 /nfs/dbraw/zinc/47/00/50/944470050.db2.gz CFHYZIJRSBSACN-ZIAGYGMSSA-N 2 0 285.407 1.268 10 0 CDAERP CCCC[NH2+]C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001277996637 944540336 /nfs/dbraw/zinc/54/03/36/944540336.db2.gz CGFVHLZPPSBWEQ-CQSZACIVSA-N 2 0 267.417 1.463 10 0 CDAERP CC[C@@H](C)C[NH2+][C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001265863349 944545771 /nfs/dbraw/zinc/54/57/71/944545771.db2.gz AZALKRUTHXZROW-OLZOCXBDSA-N 2 0 255.406 1.223 10 0 CDAERP CC[C@H](C(=O)N1CC[C@H]([NH2+]CCCF)C1)[NH+](CC)CC ZINC001265928880 944578496 /nfs/dbraw/zinc/57/84/96/944578496.db2.gz VAHORBAGWCWHDL-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CC[C@H]([NH2+]C/C=C/Cl)C1 ZINC001265941577 944588508 /nfs/dbraw/zinc/58/85/08/944588508.db2.gz CVSHDZLGVZYFBB-LJLILKBBSA-N 2 0 287.835 1.661 10 0 CDAERP C[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)CCC(C)(C)C ZINC001265971259 944607377 /nfs/dbraw/zinc/60/73/77/944607377.db2.gz GKLZTCGEVMWJBJ-AWEZNQCLSA-N 2 0 283.460 1.812 10 0 CDAERP C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC001362307428 971140566 /nfs/dbraw/zinc/14/05/66/971140566.db2.gz DEVCLLBAQQUGMR-MJBXVCDLSA-N 2 0 283.460 1.809 10 0 CDAERP CC[N@@H+]1CCC[C@@H](CN[C@H]2C[NH+]3C[C@@H]2CCC3)C1 ZINC001262198160 946514064 /nfs/dbraw/zinc/51/40/64/946514064.db2.gz HETWFJRXMHYXFP-KKUMJFAQSA-N 2 0 251.418 1.402 10 0 CDAERP CN(C[C@H]1CC[N@@H+]1CC[C@H]1CCCO1)C(=O)CC[NH+](C)C ZINC001479241638 971273095 /nfs/dbraw/zinc/27/30/95/971273095.db2.gz FAXZJUKARUHIPI-HUUCEWRRSA-N 2 0 297.443 1.040 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001479308495 971295773 /nfs/dbraw/zinc/29/57/73/971295773.db2.gz VUYLRZMOXSGFHF-GASCZTMLSA-N 2 0 293.455 1.899 10 0 CDAERP CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001479474552 971330047 /nfs/dbraw/zinc/33/00/47/971330047.db2.gz BHONTAJOJMPVSP-MJBXVCDLSA-N 2 0 269.433 1.611 10 0 CDAERP CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1OCC ZINC001479542247 971339755 /nfs/dbraw/zinc/33/97/55/971339755.db2.gz LVUPUEOWHKCSRM-QLFBSQMISA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@@H](C(=O)NCCC[N@H+](C)C[C@H]1CCCCO1)[NH+](C)C ZINC001479808072 971431575 /nfs/dbraw/zinc/43/15/75/971431575.db2.gz OZMIRSZVHSUOLR-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCC[N@@H+](C)CC2CC2)C1 ZINC001479808705 971431721 /nfs/dbraw/zinc/43/17/21/971431721.db2.gz MIROHYDSXGANPE-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP C[N@H+](CCCNC(=O)C[NH+]1CCCC1)C[C@@H]1CCCCO1 ZINC001479812946 971434823 /nfs/dbraw/zinc/43/48/23/971434823.db2.gz UGLQRCCXXGJJJI-HNNXBMFYSA-N 2 0 297.443 1.089 10 0 CDAERP COCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[NH+]2CCCCC2)C1 ZINC001278424698 947887326 /nfs/dbraw/zinc/88/73/26/947887326.db2.gz VGPLAIDIVKWAAQ-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CCC[N@@H+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001479955768 971506100 /nfs/dbraw/zinc/50/61/00/971506100.db2.gz FBKZBNIZALGGIC-KGLIPLIRSA-N 2 0 267.417 1.461 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C1)[NH+](C)C ZINC001480158546 971607201 /nfs/dbraw/zinc/60/72/01/971607201.db2.gz SJODNUOTLPDUMM-KKUMJFAQSA-N 2 0 295.471 2.000 10 0 CDAERP CC(C)[NH2+]C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001569065084 1169625945 /nfs/dbraw/zinc/62/59/45/1169625945.db2.gz SNEAYRONLWYDFH-ZDUSSCGKSA-N 2 0 267.417 1.365 10 0 CDAERP CCOCC[N@@H+]1CCC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001480272488 971656131 /nfs/dbraw/zinc/65/61/31/971656131.db2.gz UFUZCJMWHQKUHO-HNNXBMFYSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001480367573 971689916 /nfs/dbraw/zinc/68/99/16/971689916.db2.gz MVPLTXYXMCYAOB-GJZGRUSLSA-N 2 0 281.444 1.565 10 0 CDAERP CCCCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001480487174 971752056 /nfs/dbraw/zinc/75/20/56/971752056.db2.gz SVAGZAKFGQEKQC-KBPBESRZSA-N 2 0 269.433 1.755 10 0 CDAERP COCC[NH2+][C@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1(C)C ZINC001278684819 951684737 /nfs/dbraw/zinc/68/47/37/951684737.db2.gz MBDJCQRDOCALQT-UONOGXRCSA-N 2 0 299.459 1.046 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1F ZINC001480590634 971797581 /nfs/dbraw/zinc/79/75/81/971797581.db2.gz QQOCSEFFGCXURE-JSGCOSHPSA-N 2 0 293.386 1.372 10 0 CDAERP COCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001480616249 971810337 /nfs/dbraw/zinc/81/03/37/971810337.db2.gz JQMHSWXVKFDUQN-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP O=C(CCC[NH+]1CCCC1)N1CC[C@H](C[NH2+]CCCF)C1 ZINC001480680456 971836050 /nfs/dbraw/zinc/83/60/50/971836050.db2.gz MBAABMBPEKYWOE-OAHLLOKOSA-N 2 0 299.434 1.660 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001493231082 971990311 /nfs/dbraw/zinc/99/03/11/971990311.db2.gz UDQYHKFQBKKIKY-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2CCC([NH+]3CCC3)CC2)C1 ZINC001363289500 972056386 /nfs/dbraw/zinc/05/63/86/972056386.db2.gz YYZKPGVBORZHJV-ZBFHGGJFSA-N 2 0 293.455 1.804 10 0 CDAERP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H]2C[C@H]3COC[C@@H]3O2)CC1 ZINC001335941328 955089408 /nfs/dbraw/zinc/08/94/08/955089408.db2.gz GOBUCSUCGUJCAP-XGUBFFRZSA-N 2 0 268.401 1.206 10 0 CDAERP CC[C@@H]1CN(C(=O)CC[N@@H+]2CC[C@@H](F)C2)C[C@H](C)[NH2+]1 ZINC001363315448 972080913 /nfs/dbraw/zinc/08/09/13/972080913.db2.gz IQIGSTWGMJOZPV-YNEHKIRRSA-N 2 0 271.380 1.019 10 0 CDAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC1CC(C)C1 ZINC001491672505 955379872 /nfs/dbraw/zinc/37/98/72/955379872.db2.gz AXGPZVGYWWYSOM-MOKVOYLWSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)[NH2+]CC1(NC(=O)C[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001421531021 955395093 /nfs/dbraw/zinc/39/50/93/955395093.db2.gz FIVFARRNWAYSKM-CQSZACIVSA-N 2 0 281.444 1.755 10 0 CDAERP CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001421536740 955399857 /nfs/dbraw/zinc/39/98/57/955399857.db2.gz DNGNLCHAKHVZIC-JONQDZQNSA-N 2 0 293.455 1.707 10 0 CDAERP CC(C)[NH2+]CC[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001421591175 955424186 /nfs/dbraw/zinc/42/41/86/955424186.db2.gz YXMSGQREMPWXGF-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCC ZINC001421637083 955445720 /nfs/dbraw/zinc/44/57/20/955445720.db2.gz NIGQZOSZJVHALG-HUUCEWRRSA-N 2 0 281.444 1.804 10 0 CDAERP CCC[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001492031629 955620788 /nfs/dbraw/zinc/62/07/88/955620788.db2.gz PYWICGOOISTSCZ-ZIAGYGMSSA-N 2 0 269.433 1.755 10 0 CDAERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@@H](C)[NH2+]CCCO ZINC001329032344 955641544 /nfs/dbraw/zinc/64/15/44/955641544.db2.gz FCTRMRLUNLNVDV-ZIAGYGMSSA-N 2 0 299.459 1.116 10 0 CDAERP C[NH+]1CCC2(CCN2C(=O)CC[N@@H+]2CC[C@H](F)C2)CC1 ZINC001365150566 955649920 /nfs/dbraw/zinc/64/99/20/955649920.db2.gz ORVQNEPLZJKWSB-ZDUSSCGKSA-N 2 0 283.391 1.117 10 0 CDAERP CC(C)C[NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001422135918 955765609 /nfs/dbraw/zinc/76/56/09/955765609.db2.gz RGPJWEMCDZQRBG-AWEZNQCLSA-N 2 0 281.444 1.469 10 0 CDAERP CO[C@@H](C)C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C(C)C ZINC001493858006 972127395 /nfs/dbraw/zinc/12/73/95/972127395.db2.gz MWLMBYLIGSJZCV-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP CC/C=C/CC[N@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001492425312 955878125 /nfs/dbraw/zinc/87/81/25/955878125.db2.gz ZCJDWLVENNYOOU-LLYBFZRZSA-N 2 0 281.444 1.733 10 0 CDAERP C[C@H]1CN(C[C@H](O)C[N@H+](C)C2CC2)CC[NH+]1C1CCCC1 ZINC001422255573 955898285 /nfs/dbraw/zinc/89/82/85/955898285.db2.gz XFVSYEUUAALCKU-WMLDXEAASA-N 2 0 295.471 1.390 10 0 CDAERP CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001422860635 956410764 /nfs/dbraw/zinc/41/07/64/956410764.db2.gz ZPRJEPHSGNQRIA-QKDCVEJESA-N 2 0 281.444 1.422 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CC[C@@H](C[NH2+]C/C=C\Cl)C1 ZINC001480680525 956499783 /nfs/dbraw/zinc/49/97/83/956499783.db2.gz VAOMHSBWZUXXSE-DXTPNHAXSA-N 2 0 285.819 1.273 10 0 CDAERP Cc1ccccc1C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001366098298 956559703 /nfs/dbraw/zinc/55/97/03/956559703.db2.gz OCXLCRFOXQODJQ-INIZCTEOSA-N 2 0 289.423 1.637 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC[C@H](C)F)C1)[NH+](C)C ZINC001366114634 956575439 /nfs/dbraw/zinc/57/54/39/956575439.db2.gz ADHMAXGSNKILGI-ZDEQEGDKSA-N 2 0 273.396 1.312 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCC(C)(C)C)C2)C1 ZINC001330700747 956575671 /nfs/dbraw/zinc/57/56/71/956575671.db2.gz UVJRMTFLODWMNT-RBSFLKMASA-N 2 0 295.471 1.859 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCC(C)(C)C)C2)C1 ZINC001366165957 956614149 /nfs/dbraw/zinc/61/41/49/956614149.db2.gz QBDKGRKRMSBFOR-MCIONIFRSA-N 2 0 281.444 1.611 10 0 CDAERP COC[C@@H](C)[NH2+]C1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001366245732 956661831 /nfs/dbraw/zinc/66/18/31/956661831.db2.gz VYFLONVQIQPPKA-WLYUNCDWSA-N 2 0 297.443 1.134 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCF)[C@H]2C1 ZINC001423349632 956734696 /nfs/dbraw/zinc/73/46/96/956734696.db2.gz ASYGQOLFLQBXCS-KKUMJFAQSA-N 2 0 299.434 1.513 10 0 CDAERP CC(C)C[C@@H](C)C[NH+]1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001423435691 956783628 /nfs/dbraw/zinc/78/36/28/956783628.db2.gz JMVHJRKKCXADMJ-OAHLLOKOSA-N 2 0 295.471 1.907 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001366380838 956784381 /nfs/dbraw/zinc/78/43/81/956784381.db2.gz BJXYKRSPIKOHMC-STQMWFEESA-N 2 0 285.407 1.409 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001316899351 956882139 /nfs/dbraw/zinc/88/21/39/956882139.db2.gz KVEOEKMDBBVPCL-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+](Cc2cccnc2)C1 ZINC001423595602 956888997 /nfs/dbraw/zinc/88/89/97/956888997.db2.gz YGWACXDEEWKSET-MRXNPFEDSA-N 2 0 290.411 1.114 10 0 CDAERP CC(C)[N@H+](C)CCOCCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001316763306 957003082 /nfs/dbraw/zinc/00/30/82/957003082.db2.gz NGCVAZUNTAXQJV-HUUCEWRRSA-N 2 0 299.459 1.142 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1CCC[N@H+](CC2CC2)C1)[NH+](C)C ZINC001316942770 957141711 /nfs/dbraw/zinc/14/17/11/957141711.db2.gz FOLGWEHPDZZEJY-ZIAGYGMSSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@H](CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]CCCO ZINC001331576479 957148167 /nfs/dbraw/zinc/14/81/67/957148167.db2.gz OYAHRVSMVLMVCX-HUUCEWRRSA-N 2 0 299.459 1.070 10 0 CDAERP O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@@H]([NH2+]CCCF)C1 ZINC001317128088 957290431 /nfs/dbraw/zinc/29/04/31/957290431.db2.gz MJKJCANREPGGFX-OKILXGFUSA-N 2 0 285.407 1.459 10 0 CDAERP CC[C@@H](C(=O)NC[C@H](C)[NH2+]CCC(C)C)[NH+](C)C ZINC001317266439 957391177 /nfs/dbraw/zinc/39/11/77/957391177.db2.gz WRSYOGGNGMLSFO-STQMWFEESA-N 2 0 257.422 1.467 10 0 CDAERP C[C@@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)[NH2+]CCCF ZINC001317274903 957398212 /nfs/dbraw/zinc/39/82/12/957398212.db2.gz HKIMUDRWGLFQCQ-ZDUSSCGKSA-N 2 0 299.434 1.562 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001317502985 957516524 /nfs/dbraw/zinc/51/65/24/957516524.db2.gz VQQXLMVWKPGCPI-KBPBESRZSA-N 2 0 267.417 1.461 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001317531706 957535189 /nfs/dbraw/zinc/53/51/89/957535189.db2.gz CDVBKYFSRORURK-UONOGXRCSA-N 2 0 267.417 1.176 10 0 CDAERP CCC[N@@H+](CC=C(C)C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001317538497 957537221 /nfs/dbraw/zinc/53/72/21/957537221.db2.gz KRHVIDDIWWDGJA-HNNXBMFYSA-N 2 0 281.444 1.875 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CC)C(C)(C)C1 ZINC001332437923 957565782 /nfs/dbraw/zinc/56/57/82/957565782.db2.gz OMZSRUBEYKLKHQ-GFCCVEGCSA-N 2 0 255.406 1.175 10 0 CDAERP CC[C@@H](F)C[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001317597509 957590693 /nfs/dbraw/zinc/59/06/93/957590693.db2.gz HWNGSGAPPIKMHR-IJLUTSLNSA-N 2 0 282.363 1.309 10 0 CDAERP CC(C)=CC[NH2+]CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001317656182 957626038 /nfs/dbraw/zinc/62/60/38/957626038.db2.gz WEZURBKJCVOOOL-CQSZACIVSA-N 2 0 267.417 1.342 10 0 CDAERP CCCC[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001317654148 957626118 /nfs/dbraw/zinc/62/61/18/957626118.db2.gz IMCWJNMBNMAZBL-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP COCC[N@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)C(C)C ZINC001426164208 957816642 /nfs/dbraw/zinc/81/66/42/957816642.db2.gz GTYZHNFIAKONAT-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP C[NH2+]C[C@H](C)CN[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC001332876135 957908777 /nfs/dbraw/zinc/90/87/77/957908777.db2.gz CUSGWRNVXUMIAO-QEJZJMRPSA-N 2 0 253.434 1.600 10 0 CDAERP CO[C@@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001318445228 958107124 /nfs/dbraw/zinc/10/71/24/958107124.db2.gz KMHRYIVEXKMHMV-LSDHHAIUSA-N 2 0 299.459 1.286 10 0 CDAERP CN(CC[N@H+](C)CC1CC1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001367537959 958118389 /nfs/dbraw/zinc/11/83/89/958118389.db2.gz RADVWFNLMYJQHC-UHFFFAOYSA-N 2 0 281.444 1.661 10 0 CDAERP CCc1ccc2c(c1)CCN(C[C@H](O)C[N@@H+](C)CC)C2 ZINC001414064902 958340698 /nfs/dbraw/zinc/34/06/98/958340698.db2.gz YEKMMUAAZWWMIC-QGZVFWFLSA-N 2 0 276.424 1.920 10 0 CDAERP CC(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CCC1CC1)[NH+](C)C ZINC001319106963 958377226 /nfs/dbraw/zinc/37/72/26/958377226.db2.gz PVZAOAVKHLDMPS-HZPDHXFCSA-N 2 0 295.471 1.953 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C[NH2+]CC)C2CC2)C1 ZINC001367905383 958470947 /nfs/dbraw/zinc/47/09/47/958470947.db2.gz KSEXZHVAPYWOGR-CABCVRRESA-N 2 0 281.444 1.613 10 0 CDAERP CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001319749385 958710106 /nfs/dbraw/zinc/71/01/06/958710106.db2.gz FHGGGMPLMDEYMD-CVEARBPZSA-N 2 0 293.455 1.709 10 0 CDAERP CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001319862390 958757618 /nfs/dbraw/zinc/75/76/18/958757618.db2.gz GCBWVBHAUCZVNA-CABCVRRESA-N 2 0 293.455 1.709 10 0 CDAERP CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001368642534 959013443 /nfs/dbraw/zinc/01/34/43/959013443.db2.gz YSJQFJCKPUXNLX-MJBXVCDLSA-N 2 0 287.423 1.561 10 0 CDAERP CC[NH2+]CC[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001320586744 959260139 /nfs/dbraw/zinc/26/01/39/959260139.db2.gz HBLSAMQBQRPVQV-ZDUSSCGKSA-N 2 0 255.406 1.223 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCC(F)(F)F ZINC001371237407 972428451 /nfs/dbraw/zinc/42/84/51/972428451.db2.gz MDMKKDZKTAVZJR-MNOVXSKESA-N 2 0 295.349 1.517 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001369156180 959489364 /nfs/dbraw/zinc/48/93/64/959489364.db2.gz RWVMXRXIIBGLQF-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1cncs1)[NH+](C)C ZINC001369258859 959585955 /nfs/dbraw/zinc/58/59/55/959585955.db2.gz HCUNAKUTFADHBC-DGCLKSJQSA-N 2 0 298.456 1.420 10 0 CDAERP CC(C)=CC[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001321207998 959656980 /nfs/dbraw/zinc/65/69/80/959656980.db2.gz ISIWVIWXOVWYPB-XFCCUVRLSA-N 2 0 293.455 1.945 10 0 CDAERP CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@@H]21 ZINC001369422668 959679866 /nfs/dbraw/zinc/67/98/66/959679866.db2.gz PYUJMYUWHVXMCS-OWCLPIDISA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1CC1CCC1 ZINC001369425832 959679978 /nfs/dbraw/zinc/67/99/78/959679978.db2.gz LIBYCYBVPKIXRW-DZGCQCFKSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@H](F)C[NH2+]C/C=C/CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001321334678 959728578 /nfs/dbraw/zinc/72/85/78/959728578.db2.gz CALVCXVZBRBRLX-WEHDMVHDSA-N 2 0 285.407 1.338 10 0 CDAERP C[C@H](C[NH2+]CCCF)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001321628379 959880107 /nfs/dbraw/zinc/88/01/07/959880107.db2.gz VRGWWWDVCHDXPP-AGIUHOORSA-N 2 0 273.396 1.171 10 0 CDAERP C[C@@H](C[NH2+]CCCF)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001322023237 960058105 /nfs/dbraw/zinc/05/81/05/960058105.db2.gz FOKTUAGIMODWID-ZDUSSCGKSA-N 2 0 295.402 1.816 10 0 CDAERP CCC(CC)C[NH2+]CCCN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001322452647 960226609 /nfs/dbraw/zinc/22/66/09/960226609.db2.gz QLSHBDYIEZEOEG-HNNXBMFYSA-N 2 0 299.459 1.191 10 0 CDAERP CO[C@@H](C)C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001322505496 960242842 /nfs/dbraw/zinc/24/28/42/960242842.db2.gz KXPQCLXZHDXKKQ-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)=CC[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001322511971 960246053 /nfs/dbraw/zinc/24/60/53/960246053.db2.gz OAVXXFUTZBDYER-HUUCEWRRSA-N 2 0 281.444 1.731 10 0 CDAERP CC/C=C\CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001323047102 960420085 /nfs/dbraw/zinc/42/00/85/960420085.db2.gz MQERORMSUVJQMZ-KSLSASGISA-N 2 0 293.455 1.921 10 0 CDAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC1CC(C)(C)C1 ZINC001371418273 972511155 /nfs/dbraw/zinc/51/11/55/972511155.db2.gz LURXIOCXSOEGOQ-ZDUSSCGKSA-N 2 0 293.455 1.613 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1cncc(F)c1)[NH+](C)C ZINC001371416529 972510157 /nfs/dbraw/zinc/51/01/57/972510157.db2.gz IFDMKAIIRMNBOE-BXUZGUMPSA-N 2 0 296.390 1.155 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)CC1 ZINC001433744886 960576442 /nfs/dbraw/zinc/57/64/42/960576442.db2.gz GOSHZFHEGMMPNR-MRXNPFEDSA-N 2 0 295.471 1.907 10 0 CDAERP C[C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCCC2)C[N@@H+]1C1CC1 ZINC001433807296 960637747 /nfs/dbraw/zinc/63/77/47/960637747.db2.gz MSBMITXDBAAVOR-QWHCGFSZSA-N 2 0 279.428 1.602 10 0 CDAERP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C[C@H]21 ZINC001433983779 960841597 /nfs/dbraw/zinc/84/15/97/960841597.db2.gz JWCKYOYFCRXZKO-BTFPBAQTSA-N 2 0 279.428 1.125 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CC[NH+](CC2CC2)C1 ZINC001418656197 960861303 /nfs/dbraw/zinc/86/13/03/960861303.db2.gz GQRUCZVWMLIIIT-JKSUJKDBSA-N 2 0 293.455 1.709 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CCCF)CCN1C(=O)CCC[NH+](C)C ZINC001324082752 961157814 /nfs/dbraw/zinc/15/78/14/961157814.db2.gz SQTSEISBJWRVJK-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H]1C[NH2+]CCF ZINC001324175134 961215492 /nfs/dbraw/zinc/21/54/92/961215492.db2.gz KNHBYASJPSAIHS-UONOGXRCSA-N 2 0 285.407 1.411 10 0 CDAERP Cc1cccc(C[N@H+]2CC[C@H](NC(=O)CC[NH+](C)C)C2)c1 ZINC001419062839 961330052 /nfs/dbraw/zinc/33/00/52/961330052.db2.gz HLYCPLJCZNWEPO-INIZCTEOSA-N 2 0 289.423 1.637 10 0 CDAERP CC[C@H](C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C(C)C)C1)OC ZINC001419127612 961404768 /nfs/dbraw/zinc/40/47/68/961404768.db2.gz MVRLWMIIKLMIDX-LSDHHAIUSA-N 2 0 299.459 1.284 10 0 CDAERP C[N@H+](C[C@H](O)CN1CCC[C@@H](c2ccncn2)C1)C1CC1 ZINC001434456493 961429630 /nfs/dbraw/zinc/42/96/30/961429630.db2.gz DMNFRHKLZKPFPP-HIFRSBDPSA-N 2 0 290.411 1.111 10 0 CDAERP CC[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCF)[NH+](C)C ZINC001419451805 961721971 /nfs/dbraw/zinc/72/19/71/961721971.db2.gz YQXIOGJLNKZOSB-GSPSYOTPSA-N 2 0 285.407 1.408 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCCO2)C1 ZINC001419488276 961755346 /nfs/dbraw/zinc/75/53/46/961755346.db2.gz FXDIORBSIZBCJR-ZNMIVQPWSA-N 2 0 297.443 1.134 10 0 CDAERP C[C@H](C[NH2+]CC1CCC1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001419731761 962051379 /nfs/dbraw/zinc/05/13/79/962051379.db2.gz DLUBAPRVFLNMPY-CYBMUJFWSA-N 2 0 279.428 1.319 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccsc1 ZINC001419737612 962052663 /nfs/dbraw/zinc/05/26/63/962052663.db2.gz IUADQFCXKMQDBV-YRGRVCCFSA-N 2 0 295.452 1.683 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001436349485 962203764 /nfs/dbraw/zinc/20/37/64/962203764.db2.gz UEUMBPKNYVLELT-LVQVYYBASA-N 2 0 295.471 1.857 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001436458738 962269030 /nfs/dbraw/zinc/26/90/30/962269030.db2.gz LAHHQCUWHXNUJL-ILXRZTDVSA-N 2 0 299.434 1.467 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001436488925 962278220 /nfs/dbraw/zinc/27/82/20/962278220.db2.gz JBRBAMGOQKIYPV-CABCVRRESA-N 2 0 281.444 1.851 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCC2CC2)[C@@H]1C ZINC001436484075 962284012 /nfs/dbraw/zinc/28/40/12/962284012.db2.gz LLSFUNIGGPRHRS-HIFRSBDPSA-N 2 0 281.444 1.707 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001419987775 962334065 /nfs/dbraw/zinc/33/40/65/962334065.db2.gz FOHQBJZJZYGTRI-KKUMJFAQSA-N 2 0 281.444 1.707 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCCC(C)C)C1 ZINC001436741057 962380985 /nfs/dbraw/zinc/38/09/85/962380985.db2.gz HVNIDHYMEFXQIO-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP Cc1csc(C[NH2+][C@H](C)CCNC(=O)CC[NH+](C)C)n1 ZINC001420123774 962487198 /nfs/dbraw/zinc/48/71/98/962487198.db2.gz DARVVWPQDYMWIW-LLVKDONJSA-N 2 0 298.456 1.388 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCF)C1)[NH+]1CCCC1 ZINC001436975604 962536954 /nfs/dbraw/zinc/53/69/54/962536954.db2.gz GGFXLKSRGAAWOE-HZSPNIEDSA-N 2 0 285.407 1.313 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)CCC1CC1 ZINC001420314330 962726177 /nfs/dbraw/zinc/72/61/77/962726177.db2.gz OPFNNUMYQYETAJ-HZPDHXFCSA-N 2 0 293.455 1.851 10 0 CDAERP C[N@H+](C/C=C\Cl)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001437356726 962827018 /nfs/dbraw/zinc/82/70/18/962827018.db2.gz IEXMEOLXXGEZLK-VSKVDJIOSA-N 2 0 299.846 1.758 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+](CC)CC(C)C)CC[N@@H+]1C ZINC001420389048 962838715 /nfs/dbraw/zinc/83/87/15/962838715.db2.gz ZUEBACOAVDADSD-LSDHHAIUSA-N 2 0 283.460 1.811 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1cncc(F)c1)[NH+](C)C ZINC001420435119 962905524 /nfs/dbraw/zinc/90/55/24/962905524.db2.gz SXVGEDNCPCWRQV-SMDDNHRTSA-N 2 0 296.390 1.155 10 0 CDAERP CCC[N@H+](CCNC(=O)[C@@]12CC[NH+](C1)CCC2)CC1CC1 ZINC001420620744 963129231 /nfs/dbraw/zinc/12/92/31/963129231.db2.gz MJZMEXXCXTYODH-KRWDZBQOSA-N 2 0 293.455 1.711 10 0 CDAERP C[C@H](C(=O)NC[C@H]1CC[N@@H+]1CCCF)[NH+]1CCCCCC1 ZINC001420871144 963318671 /nfs/dbraw/zinc/31/86/71/963318671.db2.gz PWGURGCSVSNSEL-HUUCEWRRSA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)[NH2+]CC[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001438762485 963544129 /nfs/dbraw/zinc/54/41/29/963544129.db2.gz ICKISNGLGISMIR-OAHLLOKOSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccc(F)cc1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001439194225 963670749 /nfs/dbraw/zinc/67/07/49/963670749.db2.gz FMDYZUWTQNCYHF-WFASDCNBSA-N 2 0 293.386 1.514 10 0 CDAERP C[C@@H](F)CC[N@H+](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001439328818 963723378 /nfs/dbraw/zinc/72/33/78/963723378.db2.gz CQXFRIJGOXBINH-CHWSQXEVSA-N 2 0 287.423 1.655 10 0 CDAERP CC[C@@H](C)C[N@H+](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001439368237 963741294 /nfs/dbraw/zinc/74/12/94/963741294.db2.gz WYCUJFOARXWYOY-KGLIPLIRSA-N 2 0 283.460 1.811 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](CCF)C3)CCC1 ZINC001440097908 963926185 /nfs/dbraw/zinc/92/61/85/963926185.db2.gz KCRTVNLOMQYGBS-MJBXVCDLSA-N 2 0 297.418 1.409 10 0 CDAERP CC[C@@H](F)C[N@H+]1C[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C1 ZINC001440151903 963934985 /nfs/dbraw/zinc/93/49/85/963934985.db2.gz UIKLZGFPZICLLE-QLFBSQMISA-N 2 0 299.434 1.467 10 0 CDAERP CC[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CCC1 ZINC001440312446 963981598 /nfs/dbraw/zinc/98/15/98/963981598.db2.gz IEGYGBCDTYZIGK-UONOGXRCSA-N 2 0 279.428 1.652 10 0 CDAERP CCC(CC)C[NH2+]CC1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001440758954 964161966 /nfs/dbraw/zinc/16/19/66/964161966.db2.gz BYGRSOYDNXUMMX-PCKAHOCUSA-N 2 0 295.471 1.859 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccccn1 ZINC001440858479 964214341 /nfs/dbraw/zinc/21/43/41/964214341.db2.gz UXFNEFNXVIFBTO-KBPBESRZSA-N 2 0 292.427 1.406 10 0 CDAERP CCC[N@@H+]1CCO[C@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001441226582 964425165 /nfs/dbraw/zinc/42/51/65/964425165.db2.gz MDYAKJFQSSWLJL-MRXNPFEDSA-N 2 0 297.443 1.040 10 0 CDAERP CC[C@@H](C)C[NH+]1CC([C@H](C)NC(=O)CC[N@H+](C)CC)C1 ZINC001441222559 964425624 /nfs/dbraw/zinc/42/56/24/964425624.db2.gz ZOGOOHWMSWBEJX-KGLIPLIRSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001441296753 964455035 /nfs/dbraw/zinc/45/50/35/964455035.db2.gz QPJSKVBPPZCMDT-HZPDHXFCSA-N 2 0 295.471 1.765 10 0 CDAERP C[C@H]([NH2+]CC1CC1)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001443124600 965361856 /nfs/dbraw/zinc/36/18/56/965361856.db2.gz PZUPPBYQGTZFGX-ZDUSSCGKSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001444326939 965796097 /nfs/dbraw/zinc/79/60/97/965796097.db2.gz QSZXJWNWCKFXJQ-OLZOCXBDSA-N 2 0 287.423 1.561 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](CCCF)C[C@@H]2C1 ZINC001446992330 966675161 /nfs/dbraw/zinc/67/51/61/966675161.db2.gz XCZCXKHZZHUVSM-OKILXGFUSA-N 2 0 285.407 1.076 10 0 CDAERP CO[C@H](C)C[N@H+](C)CCCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001447371704 966770227 /nfs/dbraw/zinc/77/02/27/966770227.db2.gz UVTPFVQGKDPEDP-HUUCEWRRSA-N 2 0 299.459 1.143 10 0 CDAERP CC[C@H](C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C)OC ZINC001447668895 966845155 /nfs/dbraw/zinc/84/51/55/966845155.db2.gz LGMUXRDPHJCLOT-ZNMIVQPWSA-N 2 0 299.459 1.380 10 0 CDAERP CCC[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@H]12 ZINC001449003980 967331605 /nfs/dbraw/zinc/33/16/05/967331605.db2.gz AJNPAXBLQXAWIZ-GOEBONIOSA-N 2 0 281.444 1.850 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@]12CCC[C@@H]1[NH+](CC1CC1)CC2 ZINC001449012569 967334623 /nfs/dbraw/zinc/33/46/23/967334623.db2.gz KRCWRAJZFCVDIQ-DOTOQJQBSA-N 2 0 293.455 1.851 10 0 CDAERP CN(CCCC[NH+](C)C)C(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001544335848 967355693 /nfs/dbraw/zinc/35/56/93/967355693.db2.gz JUDIBIOMYXCYKF-CYBMUJFWSA-N 2 0 273.396 1.221 10 0 CDAERP CC(C)[N@@H+]1CCCN(C(=O)CC[NH+]2CC[C@@H](F)C2)CC1 ZINC001464765610 969814763 /nfs/dbraw/zinc/81/47/63/969814763.db2.gz CESFZCORLOSDFV-CQSZACIVSA-N 2 0 285.407 1.363 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001465027079 969841508 /nfs/dbraw/zinc/84/15/08/969841508.db2.gz AGWDSSPQEFLJAB-GXTWGEPZSA-N 2 0 267.417 1.175 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC[NH+]2CC=CC2)C1 ZINC001465329998 969866183 /nfs/dbraw/zinc/86/61/83/969866183.db2.gz BNKVINWIKMGCMR-ZIAGYGMSSA-N 2 0 265.401 1.095 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC001361799448 970542438 /nfs/dbraw/zinc/54/24/38/970542438.db2.gz UPAPJLIIIZCJPC-CABCVRRESA-N 2 0 299.459 1.143 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC001361844916 970597354 /nfs/dbraw/zinc/59/73/54/970597354.db2.gz LSWMKIOMAADMJP-ZJIFWQFVSA-N 2 0 293.455 1.850 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001495670708 972588166 /nfs/dbraw/zinc/58/81/66/972588166.db2.gz WGQNXXCMFCIVAW-RRFJBIMHSA-N 2 0 283.460 1.715 10 0 CDAERP C[C@H](C[NH2+]Cc1ccns1)N(C)C(=O)CC[NH+](C)C ZINC001496151039 972819001 /nfs/dbraw/zinc/81/90/01/972819001.db2.gz UJJLKIACBHQFCD-LLVKDONJSA-N 2 0 284.429 1.031 10 0 CDAERP CCC(CC)C[N@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001372181100 972837053 /nfs/dbraw/zinc/83/70/53/972837053.db2.gz ANIJCHVFCHHXFN-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP C[C@H](C[NH2+]CC1CCCC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001496230158 972848422 /nfs/dbraw/zinc/84/84/22/972848422.db2.gz RGZLFMSNJXIJLZ-UKRRQHHQSA-N 2 0 281.444 1.565 10 0 CDAERP CC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)CCC(C)C ZINC001372467011 972964892 /nfs/dbraw/zinc/96/48/92/972964892.db2.gz OVUHXYABVVNJFV-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP C[C@H](CC[NH2+]CC1CC1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001497189106 973236482 /nfs/dbraw/zinc/23/64/82/973236482.db2.gz QWVHUMUQWMCMJM-IUODEOHRSA-N 2 0 279.428 1.223 10 0 CDAERP CC(C)[NH+](C)CC(=O)N(C)C[C@@H]1CC[N@H+]1CC[C@@H](C)F ZINC001417758611 973367708 /nfs/dbraw/zinc/36/77/08/973367708.db2.gz FDTWAXDBQUYHBK-KGLIPLIRSA-N 2 0 287.423 1.607 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001417849841 973416131 /nfs/dbraw/zinc/41/61/31/973416131.db2.gz QIAYIFOIHHOEPZ-KFWWJZLASA-N 2 0 295.471 1.953 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]C/C=C\Cl)C1CC1 ZINC001417987210 973517228 /nfs/dbraw/zinc/51/72/28/973517228.db2.gz XDBRUNGRDJGQMB-CWIKABRRSA-N 2 0 299.846 1.708 10 0 CDAERP CC(C)[NH+](C)CC(=O)N(C)[C@H]1CC[N@@H+](CCC[C@H](C)O)C1 ZINC001373694291 973570104 /nfs/dbraw/zinc/57/01/04/973570104.db2.gz GDFNRUCQMBUZTD-GJZGRUSLSA-N 2 0 299.459 1.020 10 0 CDAERP O=C(CCC[NH+]1CCCCC1)N[C@H]1C[C@@H]([NH2+]CC2CC2)C1 ZINC001418112742 973591599 /nfs/dbraw/zinc/59/15/99/973591599.db2.gz RZMDFJREHLZFSD-IYBDPMFKSA-N 2 0 293.455 1.899 10 0 CDAERP CC(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001418115037 973594014 /nfs/dbraw/zinc/59/40/14/973594014.db2.gz XZMWNNNHKMPCGH-XHSDSOJGSA-N 2 0 295.471 2.000 10 0 CDAERP CO[C@@H](C)C[N@@H+]1CCC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001418140038 973606140 /nfs/dbraw/zinc/60/61/40/973606140.db2.gz TUCAVBRGLYSHKC-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@@H](C[NH2+]CC1CCCC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001498020971 973623520 /nfs/dbraw/zinc/62/35/20/973623520.db2.gz AGVQTHLOJBTHTK-GXTWGEPZSA-N 2 0 267.417 1.365 10 0 CDAERP CC[C@H](F)C[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001373863703 973670853 /nfs/dbraw/zinc/67/08/53/973670853.db2.gz ZIERUPSYOLQJGK-KBPBESRZSA-N 2 0 299.434 1.705 10 0 CDAERP CCc1nocc1C[NH2+][C@H](C)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001418238330 973687692 /nfs/dbraw/zinc/68/76/92/973687692.db2.gz RSZDSVIZMNXLER-BXUZGUMPSA-N 2 0 296.415 1.172 10 0 CDAERP C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CCF ZINC001418283181 973725732 /nfs/dbraw/zinc/72/57/32/973725732.db2.gz VTIOPNBLIRBNRZ-STQMWFEESA-N 2 0 273.396 1.315 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+]C/C(Cl)=C\Cl ZINC001374080481 973766869 /nfs/dbraw/zinc/76/68/69/973766869.db2.gz XWNUJDHHEDNESU-OTXQMUPVSA-N 2 0 296.242 1.599 10 0 CDAERP C[C@@H](F)CC[N@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001498393297 973879518 /nfs/dbraw/zinc/87/95/18/973879518.db2.gz IEHNPGNOFWWEMZ-VXGBXAGGSA-N 2 0 261.385 1.123 10 0 CDAERP CC(C)C[N@H+](C)C[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001498419067 973897289 /nfs/dbraw/zinc/89/72/89/973897289.db2.gz UONOJWUJPOCPRD-AWEZNQCLSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@H](C[N@H+](C)C[C@@H]1CCCCO1)NC(=O)C[NH+]1CCCC1 ZINC001498454272 973925105 /nfs/dbraw/zinc/92/51/05/973925105.db2.gz BOLXPCJDSXSYEH-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@@H]1CN(C(=O)C2C[NH+](C3CCCCC3)C2)C[C@H](C)[NH2+]1 ZINC001418562475 973967673 /nfs/dbraw/zinc/96/76/73/973967673.db2.gz LOJSYUSGDSGHBM-DZGCQCFKSA-N 2 0 293.455 1.850 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001499057148 974172804 /nfs/dbraw/zinc/17/28/04/974172804.db2.gz NEYQJMHBJRBFQL-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H](C[N@H+](C)CC1CC1)NC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001375146172 974275836 /nfs/dbraw/zinc/27/58/36/974275836.db2.gz VGYPIDGAOPJCOZ-BBRMVZONSA-N 2 0 279.428 1.319 10 0 CDAERP CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]CC1CCC1 ZINC001375279955 974313023 /nfs/dbraw/zinc/31/30/23/974313023.db2.gz DNMHIYUAOSGYFJ-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@@H](C[NH2+]CCF)C1CCCC1 ZINC001500125627 974378141 /nfs/dbraw/zinc/37/81/41/974378141.db2.gz JFDXEROSKRPKGH-AWEZNQCLSA-N 2 0 285.407 1.316 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCC2([NH2+]C/C=C/Cl)CC2)CC[N@@H+]1C ZINC001375475261 974397781 /nfs/dbraw/zinc/39/77/81/974397781.db2.gz IUFNLADRBYWFHW-NHTCQFRESA-N 2 0 299.846 1.708 10 0 CDAERP CCC[N@@H+]1CC[C@@](C)(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001500228756 974406043 /nfs/dbraw/zinc/40/60/43/974406043.db2.gz YXURVTZPWKYIDY-GOEBONIOSA-N 2 0 281.444 1.851 10 0 CDAERP CC[C@@H](C(=O)N[C@@]1(C)CC[N@H+](CCOC)C1)[NH+](CC)CC ZINC001500258409 974412475 /nfs/dbraw/zinc/41/24/75/974412475.db2.gz SIOGDFGKABZQSD-HOCLYGCPSA-N 2 0 299.459 1.334 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001375544466 974418132 /nfs/dbraw/zinc/41/81/32/974418132.db2.gz SVVFCOKBJVAPAZ-FZKCQIBNSA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)[NH2+][C@@H]1CC[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001375578470 974429288 /nfs/dbraw/zinc/42/92/88/974429288.db2.gz UTXPQBNOHIZOBM-UONOGXRCSA-N 2 0 281.444 1.754 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1CCCF ZINC001375658999 974446923 /nfs/dbraw/zinc/44/69/23/974446923.db2.gz KLPBETZPYGAKAB-OCCSQVGLSA-N 2 0 285.407 1.409 10 0 CDAERP CC(C)C[NH2+]C1(CNC(=O)C[N@H+](C)C(C)C)CCOCC1 ZINC001375985056 974528887 /nfs/dbraw/zinc/52/88/87/974528887.db2.gz XEBJNIPPNLHVMC-UHFFFAOYSA-N 2 0 299.459 1.238 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001376127290 974573817 /nfs/dbraw/zinc/57/38/17/974573817.db2.gz GMQWYQQTTMMFFF-HUUCEWRRSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C ZINC001501400078 974577963 /nfs/dbraw/zinc/57/79/63/974577963.db2.gz OQRPARKTVCGRFT-HZPDHXFCSA-N 2 0 293.455 1.970 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCC(F)(F)F)C1 ZINC001376320193 974629967 /nfs/dbraw/zinc/62/99/67/974629967.db2.gz LVEMIFABQGERAS-QWRGUYRKSA-N 2 0 293.333 1.224 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]([NH2+]C/C=C\Cl)C2)C1 ZINC001376334814 974632770 /nfs/dbraw/zinc/63/27/70/974632770.db2.gz AFXCQFGHVFUCBV-UVCYKKNVSA-N 2 0 285.819 1.271 10 0 CDAERP CC[C@H](F)C[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CCC1 ZINC001376775764 974763527 /nfs/dbraw/zinc/76/35/27/974763527.db2.gz RPJOEILYOVYQTD-KBPBESRZSA-N 2 0 299.434 1.705 10 0 CDAERP CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]CCF)[NH+]1CCCCC1 ZINC001376883675 974802530 /nfs/dbraw/zinc/80/25/30/974802530.db2.gz RWXTZFDUZZIRTH-ZIAGYGMSSA-N 2 0 287.423 1.561 10 0 CDAERP CCC[NH2+]CC1CC(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001505502004 974895461 /nfs/dbraw/zinc/89/54/61/974895461.db2.gz TXBDLBJLTPRFJO-YMAMQOFZSA-N 2 0 281.444 1.755 10 0 CDAERP C[N@H+](CCNC(=O)CC[C@H]1CCC[NH+]1C)CC1CCC1 ZINC001377174102 974913623 /nfs/dbraw/zinc/91/36/23/974913623.db2.gz RSLYXTMPFAXXIJ-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)CC1CC1 ZINC001505921964 975044164 /nfs/dbraw/zinc/04/41/64/975044164.db2.gz CZHGZZNIVKICKG-YRGRVCCFSA-N 2 0 267.417 1.173 10 0 CDAERP CO[C@H](C)C[NH2+]C[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001377615655 975088868 /nfs/dbraw/zinc/08/88/68/975088868.db2.gz LGCGAXNQKAOGRP-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP COC[C@H](C)[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)C(C)C ZINC001377680297 975109805 /nfs/dbraw/zinc/10/98/05/975109805.db2.gz TYKZVGJFFDBPCP-LSDHHAIUSA-N 2 0 299.459 1.284 10 0 CDAERP C[N@H+](CCCF)C[C@H]1CCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001377683765 975111592 /nfs/dbraw/zinc/11/15/92/975111592.db2.gz JHSASEPPWDYNLI-LSDHHAIUSA-N 2 0 299.434 1.611 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CCCCC[NH+]2CCF)C1 ZINC001506577936 975181612 /nfs/dbraw/zinc/18/16/12/975181612.db2.gz DPWWFSGXRJROJU-LSDHHAIUSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)CCC[NH+]1CC(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001378025699 975211944 /nfs/dbraw/zinc/21/19/44/975211944.db2.gz WRXWPIGEDLOBOO-UHFFFAOYSA-N 2 0 283.460 1.811 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@H]1C[N@H+](CCC2CC2)CC1(C)C ZINC001506748779 975217158 /nfs/dbraw/zinc/21/71/58/975217158.db2.gz LXUVCIYMKNUUAZ-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001404405105 975382109 /nfs/dbraw/zinc/38/21/09/975382109.db2.gz NHFZXYKTFDOYIE-GDBMZVCRSA-N 2 0 295.471 1.811 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+]CC1CC(C)(C)C1 ZINC001378599537 975410151 /nfs/dbraw/zinc/41/01/51/975410151.db2.gz IQQDVEJASGGPMA-ZDUSSCGKSA-N 2 0 283.460 1.716 10 0 CDAERP CC[NH2+][C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC1(C)C ZINC001507445710 975472852 /nfs/dbraw/zinc/47/28/52/975472852.db2.gz HTOJIHJUNVPJSF-ZDUSSCGKSA-N 2 0 283.460 1.811 10 0 CDAERP Cc1cc(C[NH2+]C[C@H](C)CNC(=O)CC[NH+](C)C)cs1 ZINC001401127943 975476619 /nfs/dbraw/zinc/47/66/19/975476619.db2.gz NWNDSKCHBSNZMO-LBPRGKRZSA-N 2 0 297.468 1.850 10 0 CDAERP CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1cncs1)[NH+](C)C ZINC001378777152 975490723 /nfs/dbraw/zinc/49/07/23/975490723.db2.gz LHLMEFAWFDEWTB-WCQYABFASA-N 2 0 298.456 1.420 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC1CC1 ZINC001378786346 975492075 /nfs/dbraw/zinc/49/20/75/975492075.db2.gz IVXSDHGVBQRKQK-HOCLYGCPSA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001378810752 975500013 /nfs/dbraw/zinc/50/00/13/975500013.db2.gz LKRQTYQUJVGPEX-KBPBESRZSA-N 2 0 283.460 1.811 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)[C@H](C)CNCc1nocc1C ZINC001378835867 975512092 /nfs/dbraw/zinc/51/20/92/975512092.db2.gz RLNYGINQSDMONY-CYBMUJFWSA-N 2 0 296.415 1.261 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1C[C@H]([NH2+]CCF)C1 ZINC001388720300 975568463 /nfs/dbraw/zinc/56/84/63/975568463.db2.gz KGAZDVUHQCSWAO-MGPQQGTHSA-N 2 0 285.407 1.315 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]CCCF)C(C)(C)C)C1 ZINC001508024395 975577808 /nfs/dbraw/zinc/57/78/08/975577808.db2.gz FOFZSHUEKDSGOH-QWHCGFSZSA-N 2 0 287.423 1.418 10 0 CDAERP C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1C[NH2+]CC1CCC1 ZINC001401310995 975578036 /nfs/dbraw/zinc/57/80/36/975578036.db2.gz MOBAOQARLSIRQJ-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC[C@@H](C)F ZINC001401349231 975603419 /nfs/dbraw/zinc/60/34/19/975603419.db2.gz KPYGYBVGNUNFNL-KGLIPLIRSA-N 2 0 287.423 1.561 10 0 CDAERP CO[C@H](C)C[N@H+](C)CCN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001379065616 975634550 /nfs/dbraw/zinc/63/45/50/975634550.db2.gz PJJLSFWWUCVGRU-CABCVRRESA-N 2 0 299.459 1.286 10 0 CDAERP CCC[N@H+]1CC=C(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001508214181 975642421 /nfs/dbraw/zinc/64/24/21/975642421.db2.gz WDOUMOHQACHQHL-UHFFFAOYSA-N 2 0 279.428 1.487 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001397670331 975675867 /nfs/dbraw/zinc/67/58/67/975675867.db2.gz ANQOEAOLRVWXAV-BZUAXINKSA-N 2 0 295.471 1.859 10 0 CDAERP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccns1 ZINC001405291998 975707736 /nfs/dbraw/zinc/70/77/36/975707736.db2.gz UKFAMYPBRZYNKC-LLVKDONJSA-N 2 0 284.429 1.079 10 0 CDAERP Cc1ncc(C[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)o1 ZINC001401629317 975751024 /nfs/dbraw/zinc/75/10/24/975751024.db2.gz XQTBJTLUPDYUTR-RISCZKNCSA-N 2 0 296.415 1.164 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001389376857 975796891 /nfs/dbraw/zinc/79/68/91/975796891.db2.gz QLQCLUCJHKLQBW-GJZGRUSLSA-N 2 0 281.444 1.850 10 0 CDAERP Cc1cc(C[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C(C)C)cs1 ZINC001401725893 975833407 /nfs/dbraw/zinc/83/34/07/975833407.db2.gz YKUZSFTVFUAJGR-LBPRGKRZSA-N 2 0 297.468 1.991 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1cnc(C)s1 ZINC001379594300 975942224 /nfs/dbraw/zinc/94/22/24/975942224.db2.gz FCHBLWAMBDWHPU-NSHDSACASA-N 2 0 298.456 1.388 10 0 CDAERP O=C(NC[C@@H]([NH2+]CCF)C1CC1)C12CCC[NH+](CCC1)C2 ZINC001398385943 975967563 /nfs/dbraw/zinc/96/75/63/975967563.db2.gz FVKBWKZTPVKHAB-CQSZACIVSA-N 2 0 297.418 1.316 10 0 CDAERP CC[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001398458574 975995041 /nfs/dbraw/zinc/99/50/41/975995041.db2.gz ZFOFYBFGCUPGLL-LSDHHAIUSA-N 2 0 281.444 1.611 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001398527628 976018825 /nfs/dbraw/zinc/01/88/25/976018825.db2.gz ARXYYQSSURYDNU-DGXTUMSLSA-N 2 0 295.471 2.000 10 0 CDAERP C[C@H](F)CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001401953899 976038086 /nfs/dbraw/zinc/03/80/86/976038086.db2.gz WUXUIULUBOCDGQ-QWHCGFSZSA-N 2 0 285.407 1.457 10 0 CDAERP O=C(NCC1([NH2+]CC2CC2)CC1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001401953220 976039290 /nfs/dbraw/zinc/03/92/90/976039290.db2.gz ISQSKWGURUFTFV-LSDHHAIUSA-N 2 0 291.439 1.652 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CC[NH+](CCC2CC2)C1 ZINC001402178169 976163602 /nfs/dbraw/zinc/16/36/02/976163602.db2.gz PFXHNBJXPDYRSY-CVEARBPZSA-N 2 0 293.455 1.851 10 0 CDAERP CC(C)C[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001406641954 976326405 /nfs/dbraw/zinc/32/64/05/976326405.db2.gz CNYWSIBAWSOKIO-CQSZACIVSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001402548541 976355350 /nfs/dbraw/zinc/35/53/50/976355350.db2.gz IUASOMCWKKBMDI-SHTZXODSSA-N 2 0 295.471 2.000 10 0 CDAERP Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)C2)cc1 ZINC001399187723 976376818 /nfs/dbraw/zinc/37/68/18/976376818.db2.gz UUDOXERGIHNKLO-INIZCTEOSA-N 2 0 289.423 1.637 10 0 CDAERP Cc1ncoc1C[N@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001380364068 976385819 /nfs/dbraw/zinc/38/58/19/976385819.db2.gz YBDFYQPOLYHGTD-OAHLLOKOSA-N 2 0 294.399 1.015 10 0 CDAERP CCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001390625630 976396253 /nfs/dbraw/zinc/39/62/53/976396253.db2.gz SPIZMHCHPGUHBR-GJZGRUSLSA-N 2 0 297.443 1.040 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001399315271 976436821 /nfs/dbraw/zinc/43/68/21/976436821.db2.gz NUVJVWRNYDOPRP-RRFJBIMHSA-N 2 0 283.460 1.857 10 0 CDAERP CC[C@H](F)C[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001402785155 976480215 /nfs/dbraw/zinc/48/02/15/976480215.db2.gz YGOYJRZZVNNZJD-KBPBESRZSA-N 2 0 299.434 1.657 10 0 CDAERP CC1([NH2+]CCC2CC2)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001402784919 976480672 /nfs/dbraw/zinc/48/06/72/976480672.db2.gz XPAHPQSJDQODCK-UHFFFAOYSA-N 2 0 293.455 1.853 10 0 CDAERP C[C@H](NC(=O)CC[NH+](C)C)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC001402795127 976482913 /nfs/dbraw/zinc/48/29/13/976482913.db2.gz VSUYJYYIRPRCIU-ZFWWWQNUSA-N 2 0 281.444 1.565 10 0 CDAERP CCCC[N@H+](C)CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001380983939 976637539 /nfs/dbraw/zinc/63/75/39/976637539.db2.gz YGPFEIRQCTXCSL-UHFFFAOYSA-N 2 0 281.444 1.663 10 0 CDAERP CC[NH2+][C@H](C)[C@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001403001868 976653994 /nfs/dbraw/zinc/65/39/94/976653994.db2.gz SVJSIBQVGHTTHV-MNOVXSKESA-N 2 0 283.441 1.926 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CC1)C2 ZINC001407467531 976671746 /nfs/dbraw/zinc/67/17/46/976671746.db2.gz BPUIIRWUAOOONV-JYJNAYRXSA-N 2 0 293.455 1.707 10 0 CDAERP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]C/C=C\Cl ZINC001381124483 976682903 /nfs/dbraw/zinc/68/29/03/976682903.db2.gz RNOZQZAVRUQFAY-UVCYKKNVSA-N 2 0 297.830 1.271 10 0 CDAERP CC[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001407525304 976686843 /nfs/dbraw/zinc/68/68/43/976686843.db2.gz AGJPAEGMZHOKHA-CVEARBPZSA-N 2 0 295.471 1.957 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+](CC2CCCC2)C1 ZINC001391107823 976694735 /nfs/dbraw/zinc/69/47/35/976694735.db2.gz BJFCAWFXILFWJG-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1ccccc1F ZINC001403170648 976785309 /nfs/dbraw/zinc/78/53/09/976785309.db2.gz SXYIUIQZOSLFTR-CYBMUJFWSA-N 2 0 295.402 1.760 10 0 CDAERP C[C@@H](NC(=O)CCC[NH+]1CCCC1)[C@@H](C)[NH2+]CCF ZINC001381443294 976827951 /nfs/dbraw/zinc/82/79/51/976827951.db2.gz DXKRWTGZEAUMOP-CHWSQXEVSA-N 2 0 273.396 1.315 10 0 CDAERP CCC[N@H+](C)CCC(=O)NC1C[NH+](CCC(C)(C)C)C1 ZINC001400431721 977034012 /nfs/dbraw/zinc/03/40/12/977034012.db2.gz OYGZZYJJLNZLAM-UHFFFAOYSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC[C@H](C)F ZINC001391747867 977082420 /nfs/dbraw/zinc/08/24/20/977082420.db2.gz HVUIKKOODNLQLW-QWHCGFSZSA-N 2 0 273.396 1.315 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccsc1 ZINC001391866562 977121356 /nfs/dbraw/zinc/12/13/56/977121356.db2.gz TZKQNJCUAXKNEU-CQSZACIVSA-N 2 0 295.452 1.780 10 0 CDAERP C[C@H]1[C@H]([NH2+]Cc2ccccn2)CCN1C(=O)CC[NH+](C)C ZINC001403749843 977175136 /nfs/dbraw/zinc/17/51/36/977175136.db2.gz RRDFZHPTTNPRMX-DZGCQCFKSA-N 2 0 290.411 1.112 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]Cc2ccsc2)CN1C(=O)CC[NH+](C)C ZINC001403756303 977176427 /nfs/dbraw/zinc/17/64/27/977176427.db2.gz WWFZGVOJJULHOE-GXTWGEPZSA-N 2 0 295.452 1.779 10 0 CDAERP CCCC[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001403790187 977193511 /nfs/dbraw/zinc/19/35/11/977193511.db2.gz JJKJIGFRCZXSEN-GOEBONIOSA-N 2 0 281.444 1.851 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1cccnc1 ZINC001382170663 977200020 /nfs/dbraw/zinc/20/00/20/977200020.db2.gz YWPPTCGFNHKNDI-AWEZNQCLSA-N 2 0 292.427 1.358 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H](C)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001392072579 977210834 /nfs/dbraw/zinc/21/08/34/977210834.db2.gz LQOLRWOMQOIZMS-KGLIPLIRSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]C/C=C/Cl)CN1C(=O)C12CC[NH+](CC1)C2 ZINC001382310734 977246606 /nfs/dbraw/zinc/24/66/06/977246606.db2.gz HGPMTYMEBFZJQQ-MHDDQSTRSA-N 2 0 297.830 1.414 10 0 CDAERP COCC[N@H+](C)CCN(C(=O)C[NH+]1CC[C@H](C)C1)C(C)C ZINC001403931413 977269728 /nfs/dbraw/zinc/26/97/28/977269728.db2.gz GIWKNIALWLQZPV-HNNXBMFYSA-N 2 0 299.459 1.143 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C(C)(C)C ZINC001382526097 977302901 /nfs/dbraw/zinc/30/29/01/977302901.db2.gz XYUMSBLNFPXNJN-BFHYXJOUSA-N 2 0 283.460 1.857 10 0 CDAERP C[C@H](C[NH2+]Cc1cncs1)NC(=O)CCC[NH+](C)C ZINC001392507118 977462856 /nfs/dbraw/zinc/46/28/56/977462856.db2.gz PQRBYGNGALXDQD-LLVKDONJSA-N 2 0 284.429 1.079 10 0 CDAERP CC[NH+]1CCC(C)(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001393079213 977694540 /nfs/dbraw/zinc/69/45/40/977694540.db2.gz JGTIQFBQUFMVMI-KBPBESRZSA-N 2 0 281.444 1.850 10 0 CDAERP CCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001393876821 977943654 /nfs/dbraw/zinc/94/36/54/977943654.db2.gz YCWUJJWPJURLRX-CABCVRRESA-N 2 0 281.444 1.804 10 0 CDAERP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CCC(F)(F)F ZINC001394518961 978190517 /nfs/dbraw/zinc/19/05/17/978190517.db2.gz LQANGLVSWVVKIM-JTQLQIEISA-N 2 0 283.338 1.327 10 0 CDAERP CCCCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001674257991 1173928294 /nfs/dbraw/zinc/92/82/94/1173928294.db2.gz MNIFXCMMIIEQFE-UONOGXRCSA-N 2 0 269.433 1.613 10 0 CDAERP CCCCC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001675467335 1174117177 /nfs/dbraw/zinc/11/71/77/1174117177.db2.gz DUJROBZPHWSXQI-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H](CCC[NH2+]CCF)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001675946627 1174167533 /nfs/dbraw/zinc/16/75/33/1174167533.db2.gz AIXAFYVTXIDLFR-ZDUSSCGKSA-N 2 0 287.423 1.705 10 0 CDAERP CCCCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001571379991 1170396981 /nfs/dbraw/zinc/39/69/81/1170396981.db2.gz GVVXQSHXWDMDAS-KBPBESRZSA-N 2 0 269.433 1.707 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]CCCF)C(C)(C)C1 ZINC001571554079 1170475432 /nfs/dbraw/zinc/47/54/32/1170475432.db2.gz CRNUQLCKJRCCRW-OLZOCXBDSA-N 2 0 285.407 1.267 10 0 CDAERP CC(C)(C)OC(=O)N1CC(c2c[nH+]ccc2N)=C[C@H]([NH3+])C1 ZINC000675078282 539085668 /nfs/dbraw/zinc/08/56/68/539085668.db2.gz OSYUEOAQOXSIAX-NSHDSACASA-N 2 0 290.367 1.456 10 0 CDAERP C[NH+](C)CCCNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000348338707 282086946 /nfs/dbraw/zinc/08/69/46/282086946.db2.gz LPPNRLDNDMQQNT-CYBMUJFWSA-N 2 0 255.406 1.319 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H]1CCC[NH+](C)C1 ZINC000601270418 342547711 /nfs/dbraw/zinc/54/77/11/342547711.db2.gz QPOVKMCTRBVOFR-KBPBESRZSA-N 2 0 282.432 1.254 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCC1(C[NH3+])CC1 ZINC000650713475 398156751 /nfs/dbraw/zinc/15/67/51/398156751.db2.gz TZPYKAHCPANMCM-UHFFFAOYSA-N 3 0 285.395 1.794 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CC2CCCC2)CC[N@@H+]1C ZINC000232133834 342002503 /nfs/dbraw/zinc/00/25/03/342002503.db2.gz SOWCATULPLQSDR-SNPRPXQTSA-N 2 0 254.418 2.000 10 0 CDAERP CCOC(=O)CCCCN1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601335691 342555254 /nfs/dbraw/zinc/55/52/54/342555254.db2.gz XDVYJAWBIXNUHR-UONOGXRCSA-N 2 0 268.401 1.794 10 0 CDAERP C[NH+](C)CCC1CC[NH+](CCOC2CCOCC2)CC1 ZINC000625100225 342030860 /nfs/dbraw/zinc/03/08/60/342030860.db2.gz AJPIDISPPVMCAD-UHFFFAOYSA-N 2 0 284.444 1.846 10 0 CDAERP C[C@@H]1C[C@@H]([N@H+](C)CCOC2CCOCC2)CCN1C ZINC000625214973 342041722 /nfs/dbraw/zinc/04/17/22/342041722.db2.gz XUHJKLQKWQLYAC-KGLIPLIRSA-N 2 0 270.417 1.597 10 0 CDAERP CC(C)NC(=O)CC[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590786310 342597065 /nfs/dbraw/zinc/59/70/65/342597065.db2.gz PIPMFUPQOKGQOG-UHFFFAOYSA-N 2 0 283.460 1.953 10 0 CDAERP [NH3+]CCN1CC[NH2+][C@@H](c2ccc3cnccc3c2)C1 ZINC000616657013 342124638 /nfs/dbraw/zinc/12/46/38/342124638.db2.gz XEKCKVLVLYIDOH-OAHLLOKOSA-N 2 0 256.353 1.140 10 0 CDAERP CCOC(=O)C1([C@@H](C)[NH2+]CC[C@H]2CCCO2)CC[NH2+]CC1 ZINC000591569431 342637283 /nfs/dbraw/zinc/63/72/83/342637283.db2.gz PWANMVVCBLMZGO-ZIAGYGMSSA-N 2 0 298.427 1.467 10 0 CDAERP C(SC1CC[NH2+]CC1)c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000592357336 342688482 /nfs/dbraw/zinc/68/84/82/342688482.db2.gz XKDDFUZXOBBJNO-JTQLQIEISA-N 2 0 268.386 1.479 10 0 CDAERP COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000592494356 342696695 /nfs/dbraw/zinc/69/66/95/342696695.db2.gz RIFAMNHUVUBDHU-GDBMZVCRSA-N 2 0 290.407 1.907 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000440843126 361935803 /nfs/dbraw/zinc/93/58/03/361935803.db2.gz MJLMUAQKEMAUJU-WLYUNCDWSA-N 2 0 298.475 1.746 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCC[C@H]1CCCCO1 ZINC000423032989 536594391 /nfs/dbraw/zinc/59/43/91/536594391.db2.gz FXFKRRKWTSPVIK-ZIAGYGMSSA-N 2 0 258.406 1.679 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCOc1ccccc1 ZINC000234719343 536594857 /nfs/dbraw/zinc/59/48/57/536594857.db2.gz VCVOSQYITGPWBH-CYBMUJFWSA-N 2 0 252.358 1.409 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](c1ccc(C)cc1)N(C)C ZINC000422794163 536594900 /nfs/dbraw/zinc/59/49/00/536594900.db2.gz YRGGFLUZIJCXFT-SJORKVTESA-N 2 0 293.455 1.941 10 0 CDAERP CCC[C@H](C(=O)NCC[N@H+](C)Cc1ccccc1)[NH+](C)C ZINC000138214422 361977355 /nfs/dbraw/zinc/97/73/55/361977355.db2.gz LRNLFVKHKRVVEN-MRXNPFEDSA-N 2 0 291.439 1.965 10 0 CDAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCOCc3ccccc3)C[C@H]12 ZINC000309761320 539079662 /nfs/dbraw/zinc/07/96/62/539079662.db2.gz DQLUJEQPTYESQC-HRCADAONSA-N 2 0 260.381 1.872 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]C[C@H](O)CC2CCCC2)CC[N@@H+]1C ZINC000300072639 342254981 /nfs/dbraw/zinc/25/49/81/342254981.db2.gz SOWCATULPLQSDR-BPLDGKMQSA-N 2 0 254.418 2.000 10 0 CDAERP C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(Cc2cncnc2)C1 ZINC000190472746 539153988 /nfs/dbraw/zinc/15/39/88/539153988.db2.gz GELHZGJLBMUDCK-INIZCTEOSA-N 2 0 297.406 1.826 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000594926625 342973535 /nfs/dbraw/zinc/97/35/35/342973535.db2.gz UUFBLEQYRUBLTE-GBJTYRQASA-N 2 0 282.428 1.896 10 0 CDAERP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000594937502 342977961 /nfs/dbraw/zinc/97/79/61/342977961.db2.gz PGQSPTHLGXZSIQ-NNZPWHBESA-N 2 0 280.412 1.791 10 0 CDAERP C[C@@H](C[S@@](C)=O)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000594944295 342980029 /nfs/dbraw/zinc/98/00/29/342980029.db2.gz SUYQKRHVNSCXBN-JEOXALJRSA-N 2 0 278.381 1.124 10 0 CDAERP C[C@H](CSCCF)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000595004864 342995567 /nfs/dbraw/zinc/99/55/67/342995567.db2.gz UXRGYJUKABTIIF-CYBMUJFWSA-N 2 0 277.453 1.305 10 0 CDAERP C[C@@]1(C[NH2+]CCC[NH+]2CCC(O)CC2)CCCS1 ZINC000628209059 362028992 /nfs/dbraw/zinc/02/89/92/362028992.db2.gz NGMKZLZYNMQHMV-AWEZNQCLSA-N 2 0 272.458 1.709 10 0 CDAERP CCCC[NH+]1CCC(N[C@@H]2C[NH2+]C[C@@H](C)C2)CC1 ZINC000401717151 412501015 /nfs/dbraw/zinc/50/10/15/412501015.db2.gz YQQRCUDFUNCPKN-ZFWWWQNUSA-N 2 0 253.434 1.839 10 0 CDAERP CSCC[C@H]([NH3+])C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595935039 343184858 /nfs/dbraw/zinc/18/48/58/343184858.db2.gz QVWREGFXJCCDCG-KGLIPLIRSA-N 2 0 299.484 1.305 10 0 CDAERP COC(=O)C(C)(C)CCN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595864575 343175511 /nfs/dbraw/zinc/17/55/11/343175511.db2.gz SNUMKGRPHMWJLN-CQSZACIVSA-N 2 0 298.427 1.107 10 0 CDAERP CCC[C@H](C)CCC[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000629508675 362120416 /nfs/dbraw/zinc/12/04/16/362120416.db2.gz YUFLZUBNOLANRJ-AWEZNQCLSA-N 2 0 269.433 1.566 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)c1cccc(NC(C)=O)c1 ZINC000629528967 362155480 /nfs/dbraw/zinc/15/54/80/362155480.db2.gz ODJKBVCBSGKFQX-GFCCVEGCSA-N 2 0 279.384 1.532 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H]1CCc2cc(F)c(OC)cc21 ZINC000629530751 362160620 /nfs/dbraw/zinc/16/06/20/362160620.db2.gz QDFJFPIOKFLRRO-CQSZACIVSA-N 2 0 282.359 1.647 10 0 CDAERP CSC1(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)CCC1 ZINC000597237390 343490764 /nfs/dbraw/zinc/49/07/64/343490764.db2.gz ZNGARMHEHKOMFD-AWEZNQCLSA-N 2 0 284.469 1.803 10 0 CDAERP COC(=O)c1oc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1C ZINC000597157667 343462972 /nfs/dbraw/zinc/46/29/72/343462972.db2.gz QNRWBYDZJHVPGF-TXEJJXNPSA-N 2 0 280.368 1.804 10 0 CDAERP CC[C@@H](SC)C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000597941356 343673783 /nfs/dbraw/zinc/67/37/83/343673783.db2.gz ABXIXPXXQYKJCL-QWHCGFSZSA-N 2 0 289.489 1.516 10 0 CDAERP COC(=O)CCCC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000599426061 344054158 /nfs/dbraw/zinc/05/41/58/344054158.db2.gz WIBZLPADIITKMM-AWEZNQCLSA-N 2 0 254.374 1.357 10 0 CDAERP CC(C)(C)[C@@H](O)C[C@H](CO)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000571389062 362486546 /nfs/dbraw/zinc/48/65/46/362486546.db2.gz TTWHAEMFBYTDLR-CVEARBPZSA-N 2 0 298.471 1.608 10 0 CDAERP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000079510572 362645147 /nfs/dbraw/zinc/64/51/47/362645147.db2.gz OHVSJTVDKKZKMD-HIFRSBDPSA-N 2 0 269.433 1.755 10 0 CDAERP CN1Cc2ccccc2[C@H]([NH2+]C2CCC(C[NH3+])CC2)C1=O ZINC000623240268 345743503 /nfs/dbraw/zinc/74/35/03/345743503.db2.gz FWYQMXDPTZDDBE-PXCJXSSVSA-N 2 0 287.407 1.807 10 0 CDAERP CCN(C(=O)[C@@H]1CCc2cnc(C)n2C1)[C@@H]1CC[N@H+](C)C1 ZINC000617551693 345844865 /nfs/dbraw/zinc/84/48/65/345844865.db2.gz XELCVNNGIXCIDW-UKRRQHHQSA-N 2 0 290.411 1.307 10 0 CDAERP CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)[C@H]1CC[N@H+](C)C1 ZINC000617554529 345849552 /nfs/dbraw/zinc/84/95/52/345849552.db2.gz DSROUERJBZYMEC-CABCVRRESA-N 2 0 281.444 1.804 10 0 CDAERP C[C@H](CCNC(=O)C1(C[NH+](C)C)CCCCC1)[NH+](C)C ZINC000617756917 345955730 /nfs/dbraw/zinc/95/57/30/345955730.db2.gz QZHPBUWVPLWOAK-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)C[N@@H+]1CCO[C@@H](CN[C@@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623340486 346069116 /nfs/dbraw/zinc/06/91/16/346069116.db2.gz KHQPGKTYTUPPHF-CVEARBPZSA-N 2 0 297.487 1.806 10 0 CDAERP C[C@@](O)(C[NH3+])CCC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000085300365 179010662 /nfs/dbraw/zinc/01/06/62/179010662.db2.gz LWAPSLUGLUPZOQ-ZNMIVQPWSA-N 2 0 254.418 1.988 10 0 CDAERP [NH3+]C[C@H](O)CC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000085304345 179010914 /nfs/dbraw/zinc/01/09/14/179010914.db2.gz GLWJYQYRVZOVEG-MRXNPFEDSA-N 2 0 262.397 1.651 10 0 CDAERP C[N@H+](CCCC[C@](C)(O)C[NH3+])CCc1ccccn1 ZINC000085304024 179011197 /nfs/dbraw/zinc/01/11/97/179011197.db2.gz OPNJZIMYWSMAGQ-HNNXBMFYSA-N 2 0 265.401 1.436 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[C@@H]1[NH3+])c1cccs1 ZINC000085370951 179041055 /nfs/dbraw/zinc/04/10/55/179041055.db2.gz RSBUCUGOFPAARW-SDDRHHMPSA-N 2 0 281.425 1.594 10 0 CDAERP CCC[NH+]1CCC([NH2+][C@@H](CC)[C@H](O)C(F)F)CC1 ZINC000449421594 362704907 /nfs/dbraw/zinc/70/49/07/362704907.db2.gz JCCFPWZIEJOXPM-RYUDHWBXSA-N 2 0 264.360 1.855 10 0 CDAERP C[C@H]([NH2+]CCC(=O)N1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000584774386 346429037 /nfs/dbraw/zinc/42/90/37/346429037.db2.gz PUBMZGKLOFBRDB-KBPBESRZSA-N 2 0 267.417 1.367 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000449519988 362742439 /nfs/dbraw/zinc/74/24/39/362742439.db2.gz DRJXVOPKJMIDET-PBHICJAKSA-N 2 0 297.406 1.712 10 0 CDAERP CCc1nc2c(n1C[C@@H]1CCC[N@H+]1CC)CC[NH2+]C2 ZINC000085568643 179094845 /nfs/dbraw/zinc/09/48/45/179094845.db2.gz KLMULSXYWIEAAZ-LBPRGKRZSA-N 2 0 262.401 1.576 10 0 CDAERP CO[C@H]1C[NH2+][C@@H](C(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000226693675 346521476 /nfs/dbraw/zinc/52/14/76/346521476.db2.gz WOQYHKRLUZTZJK-HUUCEWRRSA-N 2 0 297.443 1.134 10 0 CDAERP Clc1ccc(C[NH2+]CC[C@@H]2C[NH2+]CCO2)s1 ZINC000085621626 179105699 /nfs/dbraw/zinc/10/56/99/179105699.db2.gz QMTJTTZODVBZCT-SECBINFHSA-N 2 0 260.790 1.870 10 0 CDAERP C[C@@H](NCCN[C@@H](C)[C@H]1CCCC[NH2+]1)[C@H]1CCCC[NH2+]1 ZINC000584614448 346499901 /nfs/dbraw/zinc/49/99/01/346499901.db2.gz MRBNUDJZFRQZGS-QKPAOTATSA-N 2 0 282.476 1.227 10 0 CDAERP C[NH+]1CCN(CC[NH2+][C@H]2[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000085674497 179112043 /nfs/dbraw/zinc/11/20/43/179112043.db2.gz PLRNFDVUDJQAJN-ILXRZTDVSA-N 2 0 281.444 1.027 10 0 CDAERP CC[C@H](C)[C@@H]1CN([C@@H]2C[NH+]3CCC2CC3)CC[NH2+]1 ZINC000086124854 179235783 /nfs/dbraw/zinc/23/57/83/179235783.db2.gz NZRBEKUQZVJOKT-AEGPPILISA-N 2 0 251.418 1.401 10 0 CDAERP CC[N@@H+]1CC[C@H](CN2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000086141859 179236826 /nfs/dbraw/zinc/23/68/26/179236826.db2.gz JCONXEFZCRGGQR-RDJZCZTQSA-N 2 0 273.424 1.975 10 0 CDAERP [NH3+]CC[C@H]([NH3+])c1cc(I)ccc1F ZINC000306832582 362843360 /nfs/dbraw/zinc/84/33/60/362843360.db2.gz MIWOIHHABDRTKH-VIFPVBQESA-N 2 0 294.111 1.779 10 0 CDAERP C[NH+]1CCC(CN2CC[NH2+]C[C@@H]2c2ccccc2)CC1 ZINC000086177545 179247047 /nfs/dbraw/zinc/24/70/47/179247047.db2.gz XYAGCCGSIPZTME-QGZVFWFLSA-N 2 0 273.424 1.975 10 0 CDAERP C[C@@H]1C[NH2+]C2(CCCC2)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086182664 179247679 /nfs/dbraw/zinc/24/76/79/179247679.db2.gz URYZIWCAGOMPKK-UKRRQHHQSA-N 2 0 263.429 1.687 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+][C@H](CCO)C2CCOCC2)CC1(C)C ZINC000623492865 347602823 /nfs/dbraw/zinc/60/28/23/347602823.db2.gz MMBGOSWOYCQMJR-HUUCEWRRSA-N 2 0 284.444 1.626 10 0 CDAERP C[N@@H+]1CC[C@H](N[C@H]2CCC[NH+](CCCO)C2)CC1(C)C ZINC000623535749 347620380 /nfs/dbraw/zinc/62/03/80/347620380.db2.gz DPPMVNRSALEYRM-GJZGRUSLSA-N 2 0 283.460 1.296 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H](CO)C2)CC1(C)C ZINC000623551682 347628665 /nfs/dbraw/zinc/62/86/65/347628665.db2.gz CHBRWZSYBXVALT-RDBSUJKOSA-N 2 0 254.418 2.000 10 0 CDAERP Cc1cncn1CC(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000623510861 347610538 /nfs/dbraw/zinc/61/05/38/347610538.db2.gz OIFWGSVBZAFREC-ZDUSSCGKSA-N 2 0 278.400 1.572 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NCC23CCC[NH+]2CCC3)C1 ZINC000614224527 348044701 /nfs/dbraw/zinc/04/47/01/348044701.db2.gz VYWGTBLMXZIFDW-ZDUSSCGKSA-N 2 0 265.401 1.073 10 0 CDAERP CC[N@H+](C)[C@H](C(=O)N(C)CC1C[NH+](C)C1)c1ccccc1 ZINC000618193962 349397804 /nfs/dbraw/zinc/39/78/04/349397804.db2.gz KKYCGQRXGUXPGA-INIZCTEOSA-N 2 0 289.423 1.699 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000629536089 362949860 /nfs/dbraw/zinc/94/98/60/362949860.db2.gz DZJCZSYDFYFRPU-RRFJBIMHSA-N 3 0 269.433 1.252 10 0 CDAERP C(C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)OC1CCOCC1 ZINC000629537290 362951982 /nfs/dbraw/zinc/95/19/82/362951982.db2.gz OATSPEYGWIBKCS-HNNXBMFYSA-N 2 0 268.401 1.258 10 0 CDAERP COc1cncc(C[NH+]2CCC(CC[NH3+])CC2)n1 ZINC000629546767 362973911 /nfs/dbraw/zinc/97/39/11/362973911.db2.gz HLBIOWAQPVIDKS-UHFFFAOYSA-N 2 0 250.346 1.046 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000629548404 362976619 /nfs/dbraw/zinc/97/66/19/362976619.db2.gz ZKUZRMKEILWAGC-LCGIIJARSA-N 2 0 259.397 1.820 10 0 CDAERP Cn1c2cc(C[NH2+][C@H]3CCC[C@H]3C[NH3+])ccc2oc1=O ZINC000629548225 362974745 /nfs/dbraw/zinc/97/47/45/362974745.db2.gz MOHMFCRDDFKEAE-RYUDHWBXSA-N 2 0 275.352 1.349 10 0 CDAERP CCn1nccc1CC[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000621776239 350773272 /nfs/dbraw/zinc/77/32/72/350773272.db2.gz GQYMSKSPGKIYFI-UKRRQHHQSA-N 2 0 264.417 1.895 10 0 CDAERP O=S1(=O)Cc2ccccc2[C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)C1 ZINC000621778775 350775541 /nfs/dbraw/zinc/77/55/41/350775541.db2.gz VACJZDIGVPOSFP-DOMZBBRYSA-N 2 0 294.420 1.245 10 0 CDAERP Cc1nsc(N2CCCN(C[C@H]([NH3+])CC(C)C)CC2)n1 ZINC000414712939 366015426 /nfs/dbraw/zinc/01/54/26/366015426.db2.gz VAGVKGOJQYLWDK-CYBMUJFWSA-N 2 0 297.472 1.732 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1cc(OC)ccc1F ZINC000622043423 350949153 /nfs/dbraw/zinc/94/91/53/350949153.db2.gz ANPIZMMYTKQWMZ-LBPRGKRZSA-N 2 0 270.348 1.678 10 0 CDAERP FC1(F)C[C@@H]1CC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000622044212 350949193 /nfs/dbraw/zinc/94/91/93/350949193.db2.gz YQGTWZTZIOGHHT-ZDEQEGDKSA-N 2 0 274.355 1.778 10 0 CDAERP COC[C@H](C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)OC ZINC000629564096 363014237 /nfs/dbraw/zinc/01/42/37/363014237.db2.gz RLPIFKGSDQRRMK-OUAUKWLOSA-N 2 0 284.322 1.107 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)CCCc1ccccc1 ZINC000629569330 363020986 /nfs/dbraw/zinc/02/09/86/363020986.db2.gz ZRNXVPQPTGTQRP-UHFFFAOYSA-N 2 0 250.386 1.787 10 0 CDAERP O[C@H](C[NH2+]C[C@@H]1CC12CCSCC2)C[NH+]1CCCC1 ZINC000629580178 363032732 /nfs/dbraw/zinc/03/27/32/363032732.db2.gz NZNOOZAQBUOAKS-UONOGXRCSA-N 2 0 284.469 1.566 10 0 CDAERP CC1(C)[C@H](C[NH2+]C[C@H](O)C[NH+]2CCCC2)C1(F)F ZINC000629585256 363051787 /nfs/dbraw/zinc/05/17/87/363051787.db2.gz ORLKQTAYZZSLQQ-QWRGUYRKSA-N 2 0 262.344 1.324 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCCC1CC[NH+](C)CC1 ZINC000333650698 363078124 /nfs/dbraw/zinc/07/81/24/363078124.db2.gz VRGLOSJHNVCLCP-TZMCWYRMSA-N 2 0 282.432 1.016 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000487415038 366051717 /nfs/dbraw/zinc/05/17/17/366051717.db2.gz OXTXZLRZNZDYGP-RRFJBIMHSA-N 2 0 281.444 1.850 10 0 CDAERP COC[C@@]1(C)C[N@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000629594347 363113969 /nfs/dbraw/zinc/11/39/69/363113969.db2.gz AKVBFVQWLHSHCC-UONOGXRCSA-N 2 0 256.390 1.113 10 0 CDAERP [NH3+]C1(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CCCCCC1 ZINC000557210597 290336113 /nfs/dbraw/zinc/33/61/13/290336113.db2.gz BUYMRYPMMOIKRF-KGLIPLIRSA-N 2 0 294.443 1.574 10 0 CDAERP CC[C@H](C(=O)NCc1ccc([C@H](C)[NH3+])cc1)[NH+](C)C ZINC000629612092 363203514 /nfs/dbraw/zinc/20/35/14/363203514.db2.gz RZCCWFBWLXOAJJ-SMDDNHRTSA-N 2 0 263.385 1.663 10 0 CDAERP CCOc1ccccc1C[N@H+](C)CCOCC[NH2+]C ZINC000629652574 363251654 /nfs/dbraw/zinc/25/16/54/363251654.db2.gz HZJWKURAJRDXLC-UHFFFAOYSA-N 2 0 266.385 1.753 10 0 CDAERP Cc1cc(CNc2c[nH+]ccc2N2CC[NH+](C)CC2)on1 ZINC000631107311 363273661 /nfs/dbraw/zinc/27/36/61/363273661.db2.gz VVCFNKJIXGMVLR-UHFFFAOYSA-N 2 0 287.367 1.742 10 0 CDAERP C[NH+]1CCC(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000336405052 356167854 /nfs/dbraw/zinc/16/78/54/356167854.db2.gz MOUMROUHGYBUDI-GOOCMWNKSA-N 2 0 279.428 1.460 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000634765904 358503542 /nfs/dbraw/zinc/50/35/42/358503542.db2.gz JEEQYKOBHICKBW-YCPHGPKFSA-N 2 0 279.428 1.223 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000417815462 283169129 /nfs/dbraw/zinc/16/91/29/283169129.db2.gz OOTOQEQHBUHMMI-KBPBESRZSA-N 2 0 282.432 1.112 10 0 CDAERP CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000090411780 538441862 /nfs/dbraw/zinc/44/18/62/538441862.db2.gz CDZYJKITMKDPKA-JSGCOSHPSA-N 2 0 282.432 1.110 10 0 CDAERP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C2C[NH2+]C2)C1 ZINC000263296870 291114320 /nfs/dbraw/zinc/11/43/20/291114320.db2.gz MMRNUGJYAJSKFW-STQMWFEESA-N 2 0 267.417 1.080 10 0 CDAERP [NH3+][C@H]1CCC[C@@H]([NH2+]CCC2CCS(=O)(=O)CC2)C1 ZINC000584064382 356867808 /nfs/dbraw/zinc/86/78/08/356867808.db2.gz ZLORUYCVPIIXSZ-QWHCGFSZSA-N 2 0 274.430 1.061 10 0 CDAERP C[NH2+][C@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000081557354 357030054 /nfs/dbraw/zinc/03/00/54/357030054.db2.gz ZLFLKMDDAUATEB-UKRRQHHQSA-N 2 0 275.396 1.375 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000417388103 283318068 /nfs/dbraw/zinc/31/80/68/283318068.db2.gz ICNJTTOSRLTFGL-VXGBXAGGSA-N 2 0 270.421 1.143 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2C[C@H](C)[NH+](C)C[C@@H]2C)CC[N@@H+]1C ZINC000632253928 358198232 /nfs/dbraw/zinc/19/82/32/358198232.db2.gz GFGZLZRANGQXRN-XDQVBPFNSA-N 2 0 267.417 1.268 10 0 CDAERP COC[C@@H](C)[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195296574 358425870 /nfs/dbraw/zinc/42/58/70/358425870.db2.gz FGNOWESVQKWLBC-GDBMZVCRSA-N 2 0 277.412 1.870 10 0 CDAERP c1ccc(CN2CC[C@H]([NH2+][C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000133674482 358623919 /nfs/dbraw/zinc/62/39/19/358623919.db2.gz USGYYYWBDXDWKA-SJORKVTESA-N 2 0 273.424 1.993 10 0 CDAERP C[NH2+][C@H](CCO)C1CC[NH+](Cc2ccccc2)CC1 ZINC000095075729 358674389 /nfs/dbraw/zinc/67/43/89/358674389.db2.gz CXKSLZBMNOGNDC-MRXNPFEDSA-N 2 0 262.397 1.869 10 0 CDAERP Cc1cccc2ncc(CN3CC[C@@H]4C[N@@H+](C)C[C@H]43)n21 ZINC000644838205 358908614 /nfs/dbraw/zinc/90/86/14/358908614.db2.gz AVKIIBORUKMXBT-UKRRQHHQSA-N 2 0 270.380 1.779 10 0 CDAERP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000261927218 359092494 /nfs/dbraw/zinc/09/24/94/359092494.db2.gz LGSPMEKNMMVWHL-LMLQULGWSA-N 2 0 293.455 1.216 10 0 CDAERP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCc1nnc2ccccn21 ZINC000057653169 359104887 /nfs/dbraw/zinc/10/48/87/359104887.db2.gz BAWRKQALHLTCPZ-JHJVBQTASA-N 2 0 273.384 1.548 10 0 CDAERP C[C@H](CNC(=O)C1(C[NH3+])CCOCC1)[N@@H+]1CCCC[C@H]1C ZINC000262072685 359132782 /nfs/dbraw/zinc/13/27/82/359132782.db2.gz BTGDOOUUTFCJBT-ZIAGYGMSSA-N 2 0 297.443 1.121 10 0 CDAERP Cn1cc(C[C@H]2CC[N@H+](C[C@@]3(C)CC[NH2+]C3)C2)cn1 ZINC000572363922 359150881 /nfs/dbraw/zinc/15/08/81/359150881.db2.gz LRQCMASGRNTZFG-HIFRSBDPSA-N 2 0 262.401 1.284 10 0 CDAERP O=C([C@@H]1CCCC[NH2+]1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000037826150 359233897 /nfs/dbraw/zinc/23/38/97/359233897.db2.gz BQZQRKYMOHUDTG-HNNXBMFYSA-N 2 0 279.428 1.463 10 0 CDAERP C[C@@H]([NH3+])C[C@H](C)NC(=O)c1ccccc1OCC[NH+](C)C ZINC000566296089 359392857 /nfs/dbraw/zinc/39/28/57/359392857.db2.gz PBSCTFGZZOPKBS-OLZOCXBDSA-N 2 0 293.411 1.483 10 0 CDAERP CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000563605685 316340775 /nfs/dbraw/zinc/34/07/75/316340775.db2.gz JDBVGSPMWALRFD-CHWSQXEVSA-N 2 0 284.448 1.484 10 0 CDAERP CC(C)[NH+]1CCC(N[C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000422991129 359702670 /nfs/dbraw/zinc/70/26/70/359702670.db2.gz OFZQJGHXJRTXNF-JKSUJKDBSA-N 2 0 281.444 1.216 10 0 CDAERP CCc1ccc([C@@H](CN2CCOCC2)[NH2+]CCC[NH3+])cc1 ZINC000423186578 359756419 /nfs/dbraw/zinc/75/64/19/359756419.db2.gz KMEVZLXGMHLTFL-QGZVFWFLSA-N 2 0 291.439 1.561 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](COC)c1ccc(C)o1 ZINC000423009447 359738410 /nfs/dbraw/zinc/73/84/10/359738410.db2.gz VPVCHQDXQXFUHS-STQMWFEESA-N 2 0 270.373 1.619 10 0 CDAERP COC[C@]1(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)CCC[NH2+]1 ZINC000423417689 359777456 /nfs/dbraw/zinc/77/74/56/359777456.db2.gz SRWJAMHGFIKGQC-RBSFLKMASA-N 2 0 252.402 1.923 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N[C@H]1CCC[NH+](C)C1 ZINC000673771741 482836733 /nfs/dbraw/zinc/83/67/33/482836733.db2.gz MHQFZXPWNIVAOF-ZDUSSCGKSA-N 2 0 270.421 1.112 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N2CCc3ccccc3[C@H]2C[NH3+])o1 ZINC000335430719 360170127 /nfs/dbraw/zinc/17/01/27/360170127.db2.gz UKOOACOAMOEKCW-CQSZACIVSA-N 2 0 285.347 1.437 10 0 CDAERP CCNC(=O)N1CC[C@@H]([NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)C1 ZINC000090410055 360212305 /nfs/dbraw/zinc/21/23/05/360212305.db2.gz LUVCIMRLAIPTTR-BFHYXJOUSA-N 2 0 282.432 1.110 10 0 CDAERP C[C@H]1C[NH2+]CCN1C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000335407680 360229031 /nfs/dbraw/zinc/22/90/31/360229031.db2.gz URJKCNHGWQKPJN-QWHCGFSZSA-N 2 0 253.390 1.071 10 0 CDAERP C[C@H]1CN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CC[NH2+]1 ZINC000335409750 360232192 /nfs/dbraw/zinc/23/21/92/360232192.db2.gz KSXFRGZUFGAZCR-QWHCGFSZSA-N 2 0 253.390 1.071 10 0 CDAERP C[NH+](C)CCn1cccc1[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000011848797 360347762 /nfs/dbraw/zinc/34/77/62/360347762.db2.gz NBZQBSDJJRLQJN-HNNXBMFYSA-N 2 0 273.380 1.998 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)NCCC[NH+]2CCCCC2)C[NH2+]1 ZINC000626925981 360642630 /nfs/dbraw/zinc/64/26/30/360642630.db2.gz VVSRAFKGOVZFHF-ZIAGYGMSSA-N 2 0 282.432 1.302 10 0 CDAERP C[C@H](CNC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000626934584 360653946 /nfs/dbraw/zinc/65/39/46/360653946.db2.gz JAMZFGNAADDZLL-LXTVHRRPSA-N 2 0 296.459 1.547 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H](C)C[NH+](CC)CC ZINC000626951627 360695577 /nfs/dbraw/zinc/69/55/77/360695577.db2.gz CQSSBFFCLDLFEP-FRRDWIJNSA-N 2 0 270.421 1.156 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000349115575 360728619 /nfs/dbraw/zinc/72/86/19/360728619.db2.gz DFLHKHVORPGZHA-OAHLLOKOSA-N 2 0 281.444 1.661 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)C[N@@H+]1C1CC1 ZINC000417859522 360784963 /nfs/dbraw/zinc/78/49/63/360784963.db2.gz RZMBKVYDLNGUIE-OSFYFWSMSA-N 2 0 292.427 1.005 10 0 CDAERP O=C(NCC[NH+]1CCCCC1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000635307436 361096781 /nfs/dbraw/zinc/09/67/81/361096781.db2.gz MHXNRYAMCQVFGC-VXGBXAGGSA-N 2 0 262.357 1.115 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000389156134 361125473 /nfs/dbraw/zinc/12/54/73/361125473.db2.gz XJBBQNJELKQDTC-ZFWWWQNUSA-N 2 0 271.449 1.007 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000456687189 363756094 /nfs/dbraw/zinc/75/60/94/363756094.db2.gz WFLMZWSCSKLSAI-INIZCTEOSA-N 2 0 293.455 1.994 10 0 CDAERP CC[N@H+](CC(=O)NC[C@H]1CC[NH+]1C1CCCC1)C1CC1 ZINC000628975156 361369503 /nfs/dbraw/zinc/36/95/03/361369503.db2.gz QGIIOOIWOBRHLQ-OAHLLOKOSA-N 2 0 279.428 1.604 10 0 CDAERP C[C@@H](NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)[C@H](C)[NH3+] ZINC000418712100 296054595 /nfs/dbraw/zinc/05/45/95/296054595.db2.gz WTCJBPYCVXCZIV-XQQFMLRXSA-N 2 0 270.421 1.238 10 0 CDAERP C[C@@H](CCNC(=O)N1CC[C@H]([NH3+])[C@@H]1C)[NH+]1CCCCC1 ZINC000418002759 364210245 /nfs/dbraw/zinc/21/02/45/364210245.db2.gz MJQRWSPFUDPKFX-IHRRRGAJSA-N 2 0 282.432 1.382 10 0 CDAERP CCC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000353407523 365187531 /nfs/dbraw/zinc/18/75/31/365187531.db2.gz WQCUPNKTZABIQX-XQLPTFJDSA-N 2 0 279.428 1.460 10 0 CDAERP CCCC[C@H](C[NH3+])NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000566786999 370813884 /nfs/dbraw/zinc/81/38/84/370813884.db2.gz MAQUBSMCKLNPHK-HIFRSBDPSA-N 2 0 282.432 1.289 10 0 CDAERP CSC[C@H](CCO)[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353520510 365272942 /nfs/dbraw/zinc/27/29/42/365272942.db2.gz PEKOMAKYMDPEJK-REWJHTLYSA-N 2 0 272.458 1.563 10 0 CDAERP CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)CC)[C@@H]1CCCCO1 ZINC000653873634 412743724 /nfs/dbraw/zinc/74/37/24/412743724.db2.gz SWBBFMXJAJAJAW-RDBSUJKOSA-N 2 0 258.406 1.236 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)C2CCOCC2)[C@@H]2CCC[C@H]21 ZINC000353633023 365344541 /nfs/dbraw/zinc/34/45/41/365344541.db2.gz RMRQSPCHFPHIQX-JONQDZQNSA-N 2 0 282.428 1.236 10 0 CDAERP CC(C)[C@H](CN[C@@H](C)[C@@H]1CC[NH2+]C1)[NH+]1CCCC1 ZINC000400327047 366949233 /nfs/dbraw/zinc/94/92/33/366949233.db2.gz AQNGOIVSUKUHFW-ZNMIVQPWSA-N 2 0 253.434 1.694 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2O)[C@H](C)C1 ZINC000414141875 241085851 /nfs/dbraw/zinc/08/58/51/241085851.db2.gz HVFPBYABALEHNV-QKPAOTATSA-N 2 0 284.444 1.626 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000626966532 367101859 /nfs/dbraw/zinc/10/18/59/367101859.db2.gz WRZIXLCFNQEVEF-FRRDWIJNSA-N 2 0 270.421 1.156 10 0 CDAERP C[C@H](CNC(=O)N[C@H]1CC[NH2+]C12CCC2)[N@H+](C)C1CC1 ZINC000626970695 367107026 /nfs/dbraw/zinc/10/70/26/367107026.db2.gz TVDJCQCZSVGUAP-YPMHNXCESA-N 2 0 280.416 1.053 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000626998560 367220500 /nfs/dbraw/zinc/22/05/00/367220500.db2.gz POBDIPPOSINYLF-MELADBBJSA-N 2 0 282.432 1.014 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000626997051 367217774 /nfs/dbraw/zinc/21/77/74/367217774.db2.gz MSILXGAWJNPYFI-UVLXDEKHSA-N 2 0 280.416 1.051 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)N[C@@H]1CCCC[C@H]1C[NH3+])C2 ZINC000627078746 367375919 /nfs/dbraw/zinc/37/59/19/367375919.db2.gz RKNZYPQWAJSZPD-LQKXBSAESA-N 2 0 294.443 1.145 10 0 CDAERP C[C@H]1CC[C@@H](NC(=O)NC2CCC([NH+](C)C)CC2)C[NH2+]1 ZINC000627106685 367452609 /nfs/dbraw/zinc/45/26/09/367452609.db2.gz SYRZNHXDISNQQI-RJZJGCCBSA-N 2 0 282.432 1.299 10 0 CDAERP C[NH+](C)C[C@](C)(O)C[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000228829113 367454327 /nfs/dbraw/zinc/45/43/27/367454327.db2.gz JKHICPKXUHSBOZ-AVVWSFFYSA-N 2 0 280.387 1.974 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000416801913 242147702 /nfs/dbraw/zinc/14/77/02/242147702.db2.gz HGHTUGQJIXJJHL-OBJOEFQTSA-N 2 0 278.400 1.324 10 0 CDAERP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NCCC[NH3+])C1 ZINC000417023796 242276804 /nfs/dbraw/zinc/27/68/04/242276804.db2.gz LSIOATHXDVXWHZ-STQMWFEESA-N 2 0 270.421 1.002 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C[NH2+]1 ZINC000627200895 367693607 /nfs/dbraw/zinc/69/36/07/367693607.db2.gz VDFCFFXVRMQDBP-SYQHCUMBSA-N 2 0 280.416 1.005 10 0 CDAERP C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000414859175 367746106 /nfs/dbraw/zinc/74/61/06/367746106.db2.gz AOXYTPUKNQZXOR-UAGQMJEPSA-N 2 0 273.424 1.673 10 0 CDAERP C[NH2+]CCC1CCN(C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627210583 367711182 /nfs/dbraw/zinc/71/11/82/367711182.db2.gz RSTADLIOYVJYLU-TZMCWYRMSA-N 2 0 282.432 1.158 10 0 CDAERP COC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000449505683 284000542 /nfs/dbraw/zinc/00/05/42/284000542.db2.gz BMXBJDBHUKNVPA-YJNKXOJESA-N 2 0 280.412 1.935 10 0 CDAERP COC[C@@H](CC(C)C)[NH2+]CCCC[NH+]1CCOCC1 ZINC000359927494 368027106 /nfs/dbraw/zinc/02/71/06/368027106.db2.gz WBEVDIWKHUZLDA-OAHLLOKOSA-N 2 0 272.433 1.750 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC([NH3+])(CC)CC)[C@H](C)C1 ZINC000418422157 243057234 /nfs/dbraw/zinc/05/72/34/243057234.db2.gz CLYIJQFACTVAHH-ZIAGYGMSSA-N 2 0 298.475 1.876 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)NCC2([NH3+])CCC2)cc1 ZINC000418455109 243100117 /nfs/dbraw/zinc/10/01/17/243100117.db2.gz CXEMJVQLNNLISL-NSHDSACASA-N 2 0 276.384 1.387 10 0 CDAERP [NH3+][C@H](CNC(=O)N1CCC(C[NH+]2CCCC2)CC1)C1CC1 ZINC000418498927 243147221 /nfs/dbraw/zinc/14/72/21/243147221.db2.gz NCQMHGATKURWFR-OAHLLOKOSA-N 2 0 294.443 1.241 10 0 CDAERP CCCN(CC[NH+]1CCCC1)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000418596291 243255591 /nfs/dbraw/zinc/25/55/91/243255591.db2.gz ORYCPNIQYQVLEB-GJZGRUSLSA-N 2 0 296.459 1.502 10 0 CDAERP C[C@@H](CCC[NH3+])NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000567268656 370939131 /nfs/dbraw/zinc/93/91/31/370939131.db2.gz NQTMRUILYDQBLB-QWHCGFSZSA-N 2 0 255.406 1.495 10 0 CDAERP CC[NH+]1CCC(NC(=O)C[N@H+](C(C)C)[C@@H]2CCOC2)CC1 ZINC000361415633 368809946 /nfs/dbraw/zinc/80/99/46/368809946.db2.gz PLHPHFZCXGOJSA-OAHLLOKOSA-N 2 0 297.443 1.086 10 0 CDAERP O[C@@H](C[NH2+]Cc1cnc2n1CCCC2)C(F)(F)F ZINC000577502779 317342561 /nfs/dbraw/zinc/34/25/61/317342561.db2.gz HHGKBUJBQAWENT-VIFPVBQESA-N 2 0 263.263 1.232 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000368238557 369407006 /nfs/dbraw/zinc/40/70/06/369407006.db2.gz BOEGUJZYLJHVTA-SWLSCSKDSA-N 2 0 285.407 1.409 10 0 CDAERP COC[C@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)C1CCOCC1 ZINC000368689057 369565122 /nfs/dbraw/zinc/56/51/22/369565122.db2.gz RZRXKKPVPBIOLW-DOMZBBRYSA-N 2 0 279.384 1.298 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000418122451 369941116 /nfs/dbraw/zinc/94/11/16/369941116.db2.gz XWCIAYWECNKOFK-TZMCWYRMSA-N 2 0 282.432 1.253 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C2CC2)[NH+](C)C)CC[N@@H+]1C ZINC000630779544 369999248 /nfs/dbraw/zinc/99/92/48/369999248.db2.gz AOHHGOHMAGGKCR-BFHYXJOUSA-N 2 0 267.417 1.173 10 0 CDAERP [NH3+]Cc1ccc(C(=O)NCC2([NH3+])CCCCCC2)cc1 ZINC000370713760 370135024 /nfs/dbraw/zinc/13/50/24/370135024.db2.gz YESNSYVRFMTMAA-UHFFFAOYSA-N 2 0 275.396 1.927 10 0 CDAERP C[C@@H](CNC1=[NH+]CCCN1)N(C)Cc1ccccc1 ZINC000262345987 370371949 /nfs/dbraw/zinc/37/19/49/370371949.db2.gz ZZJPXLHPNNDUTH-ZDUSSCGKSA-N 2 0 260.385 1.446 10 0 CDAERP C[NH2+][C@H](C)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390734799 370554763 /nfs/dbraw/zinc/55/47/63/370554763.db2.gz GYSARPKGBDVQFX-UKRRQHHQSA-N 2 0 275.396 1.375 10 0 CDAERP Cc1c(Cl)c(C[NH2+]CC2(C)CC[NH2+]CC2)nn1C ZINC000422553784 245108977 /nfs/dbraw/zinc/10/89/77/245108977.db2.gz KPXOLYSBDCWUQV-UHFFFAOYSA-N 2 0 270.808 1.861 10 0 CDAERP CC[C@H](C)NC(=O)CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000566089529 370605250 /nfs/dbraw/zinc/60/52/50/370605250.db2.gz LLSLTHPGGKIRDE-YNEHKIRRSA-N 2 0 255.406 1.269 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(c2ccccc2)C1=O ZINC000422698007 245157197 /nfs/dbraw/zinc/15/71/97/245157197.db2.gz XGENDTAKIWOSGT-DZGCQCFKSA-N 2 0 291.395 1.135 10 0 CDAERP CC[NH+]1CCC(CC[NH2+][C@@H](CCC[NH3+])COC)CC1 ZINC000422792168 245263017 /nfs/dbraw/zinc/26/30/17/245263017.db2.gz VQVBZIMSWPBSAB-HNNXBMFYSA-N 3 0 271.449 1.452 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000414969641 371121453 /nfs/dbraw/zinc/12/14/53/371121453.db2.gz ZNEGBAAHZIPASZ-CZUORRHYSA-N 2 0 270.380 1.960 10 0 CDAERP CCCN(C(=O)CC[C@@H]1CCCC[N@@H+]1C)[C@H]1CC[NH2+]C1 ZINC000567829522 371164012 /nfs/dbraw/zinc/16/40/12/371164012.db2.gz YRCPCUKJBHZOTA-GJZGRUSLSA-N 2 0 281.444 1.851 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)NC1CC[NH2+]CC1 ZINC000573719400 371631500 /nfs/dbraw/zinc/63/15/00/371631500.db2.gz MUKSKYJMSIASPJ-CYBMUJFWSA-N 2 0 253.390 1.119 10 0 CDAERP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1ccccc1CC[NH3+] ZINC000575418956 371839394 /nfs/dbraw/zinc/83/93/94/371839394.db2.gz PGRYCPSRINCOPL-CQSZACIVSA-N 2 0 289.423 1.602 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001661652914 1172422344 /nfs/dbraw/zinc/42/23/44/1172422344.db2.gz FLTBDHKRXGMLKX-MJBXVCDLSA-N 2 0 269.433 1.754 10 0 CDAERP CCN(CCC[NH+](CC)CC)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000578246192 372366903 /nfs/dbraw/zinc/36/69/03/372366903.db2.gz KSQYLCRKHBBLMX-HNNXBMFYSA-N 2 0 283.460 1.909 10 0 CDAERP [NH3+]CC1CCC([NH2+]C2CCC([NH+]3CCNCC3)CC2)CC1 ZINC000333161447 205082957 /nfs/dbraw/zinc/08/29/57/205082957.db2.gz OBEGFUPTRXTGNO-UHFFFAOYSA-N 3 0 294.487 1.310 10 0 CDAERP C[NH2+][C@H](C)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000382762512 373074117 /nfs/dbraw/zinc/07/41/17/373074117.db2.gz LRTYTZDDWPHPST-GDBMZVCRSA-N 2 0 289.423 1.575 10 0 CDAERP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062942805 373205493 /nfs/dbraw/zinc/20/54/93/373205493.db2.gz PCMTWLVEDHISJU-XQQFMLRXSA-N 2 0 253.390 1.057 10 0 CDAERP O=C1[C@H]([NH+]2CCC([C@H]3CCC[NH2+]3)CC2)CCN1C1CCC1 ZINC000631827210 373714435 /nfs/dbraw/zinc/71/44/35/373714435.db2.gz IIWOBPFJPSFUDY-HZPDHXFCSA-N 2 0 291.439 1.604 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NC[C@@H]1CCC[NH+]1C ZINC000341470561 373738756 /nfs/dbraw/zinc/73/87/56/373738756.db2.gz YJESVLDDRAMKRY-ZNMIVQPWSA-N 2 0 296.459 1.643 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652232264 541924291 /nfs/dbraw/zinc/92/42/91/541924291.db2.gz VIZWDCRZDVHKLN-ZDUSSCGKSA-N 2 0 282.432 1.240 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(n2cncn2)CC1 ZINC000125059432 374884218 /nfs/dbraw/zinc/88/42/18/374884218.db2.gz AFKYVASZFISYGH-CYBMUJFWSA-N 2 0 263.389 1.399 10 0 CDAERP C[NH+](C)[C@@H](CC(=O)NC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000416163967 375574032 /nfs/dbraw/zinc/57/40/32/375574032.db2.gz ZRMHZBFZERGTEV-HOTGVXAUSA-N 2 0 289.423 1.890 10 0 CDAERP CC[C@@]1(C(=O)NCC2([NH3+])CCCCCC2)CCC[NH2+]1 ZINC000134366153 375630144 /nfs/dbraw/zinc/63/01/44/375630144.db2.gz KXFVMSLLERSWKW-HNNXBMFYSA-N 2 0 267.417 1.687 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000417006704 375714177 /nfs/dbraw/zinc/71/41/77/375714177.db2.gz KCEJSCDFSRQUPH-YNEHKIRRSA-N 2 0 270.421 1.095 10 0 CDAERP C[C@@H](CNC(=O)NCCC[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000417339444 375787718 /nfs/dbraw/zinc/78/77/18/375787718.db2.gz LBKRKFNJROLWAW-ZDUSSCGKSA-N 2 0 290.411 1.081 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCc1ccc(F)cc1F ZINC000574442797 294999874 /nfs/dbraw/zinc/99/98/74/294999874.db2.gz DLSIPEFYUXMGMU-ZDUSSCGKSA-N 2 0 272.339 1.851 10 0 CDAERP CC[NH2+][C@H](C)C(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000638979344 376340986 /nfs/dbraw/zinc/34/09/86/376340986.db2.gz BJNBQELISASPKW-GFCCVEGCSA-N 2 0 255.406 1.317 10 0 CDAERP C(CN1C[C@H]2CCC[C@@H](C1)[NH2+]2)C[NH+]1CCCCC1 ZINC000420405840 376349047 /nfs/dbraw/zinc/34/90/47/376349047.db2.gz UDIMVTTUIXTMTA-GASCZTMLSA-N 2 0 251.418 1.689 10 0 CDAERP CC(C)(C)[NH+]1CCC([NH2+]CC[C@@H](O)C(F)F)CC1 ZINC000631697616 376474268 /nfs/dbraw/zinc/47/42/68/376474268.db2.gz NQAYVOKNOLDZIE-LLVKDONJSA-N 2 0 264.360 1.855 10 0 CDAERP C[C@@H](NC(=O)[C@H](C)N1CC[C@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000631823943 376649590 /nfs/dbraw/zinc/64/95/90/376649590.db2.gz RDWXLLFSESROIP-FQLMCAECSA-N 2 0 289.423 1.921 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N[C@@H]1C[NH+](C(C)C)C[C@H]1C ZINC000247478947 377125746 /nfs/dbraw/zinc/12/57/46/377125746.db2.gz VYJINJHIJQJWOE-HUUCEWRRSA-N 2 0 298.475 1.746 10 0 CDAERP CC[NH+](CC)CC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247502696 377137783 /nfs/dbraw/zinc/13/77/83/377137783.db2.gz VFDQXEHPDBZAPA-OLZOCXBDSA-N 2 0 253.390 1.023 10 0 CDAERP CCC[NH+](CCC)CCCNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000417470117 377374380 /nfs/dbraw/zinc/37/43/80/377374380.db2.gz RLRCZHNRSPVJAI-HUUCEWRRSA-N 2 0 298.475 1.796 10 0 CDAERP CC[NH+](CC)CCC[N@@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000249033553 377382142 /nfs/dbraw/zinc/38/21/42/377382142.db2.gz MCJVKQRZAYPUBN-CHWSQXEVSA-N 2 0 255.406 1.304 10 0 CDAERP C[C@H]1[C@H]([NH3+])CCN1C(=O)NCC1([NH3+])CCCCCC1 ZINC000334936623 377706596 /nfs/dbraw/zinc/70/65/96/377706596.db2.gz SBCSHCXQJRINSN-NWDGAFQWSA-N 2 0 268.405 1.169 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)CC2([NH+](C)C)CCC2)CC[N@@H+]1C ZINC000632686912 377744512 /nfs/dbraw/zinc/74/45/12/377744512.db2.gz UXZXLXJEZIDREC-UONOGXRCSA-N 2 0 281.444 1.659 10 0 CDAERP CC[NH+](CC)C[C@@H]1CCN(C(=O)CC[C@@H](C)[NH3+])C1 ZINC000193320293 378275158 /nfs/dbraw/zinc/27/51/58/378275158.db2.gz URMZIUPNQBBQAF-OLZOCXBDSA-N 2 0 255.406 1.304 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)[C@@H](C)C[NH2+]C)CC1 ZINC000165866210 378592018 /nfs/dbraw/zinc/59/20/18/378592018.db2.gz MMJSGVBDPHRMSP-LBPRGKRZSA-N 2 0 255.406 1.080 10 0 CDAERP COCC1(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)CCC1 ZINC000662324808 412894145 /nfs/dbraw/zinc/89/41/45/412894145.db2.gz YHWUSVVAMHZTOJ-HNNXBMFYSA-N 2 0 284.444 1.846 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000343827013 379003366 /nfs/dbraw/zinc/00/33/66/379003366.db2.gz CMIGDZTZHVIQBL-ZIAGYGMSSA-N 2 0 267.417 1.413 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000634133555 379068768 /nfs/dbraw/zinc/06/87/68/379068768.db2.gz MZQYOEDOHHKZRA-UONOGXRCSA-N 2 0 284.448 1.500 10 0 CDAERP CN(C(=O)NC[C@@H]1CCCC[NH2+]1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000634268633 379275709 /nfs/dbraw/zinc/27/57/09/379275709.db2.gz BJEKCFYDDKNQDX-GXTWGEPZSA-N 2 0 280.416 1.007 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](CN[C@H]2C[NH+](C)C[C@H]2C)C1 ZINC000344184428 379308301 /nfs/dbraw/zinc/30/83/01/379308301.db2.gz AKYZEXHGGIRVGX-KFWWJZLASA-N 2 0 253.434 1.647 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000344331812 379489490 /nfs/dbraw/zinc/48/94/90/379489490.db2.gz BHQSRQMAPLTATF-UHFFFAOYSA-N 3 0 297.406 1.927 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417009178 284801171 /nfs/dbraw/zinc/80/11/71/284801171.db2.gz NCEBCSWLUHNGNX-MCIONIFRSA-N 2 0 282.432 1.253 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](C)C1(CO)CC1 ZINC000657607937 412931581 /nfs/dbraw/zinc/93/15/81/412931581.db2.gz OUHLDOARXVNIHI-CYBMUJFWSA-N 2 0 286.379 1.826 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000662388645 412949327 /nfs/dbraw/zinc/94/93/27/412949327.db2.gz PFSNPFOJAIFMAG-HNNXBMFYSA-N 2 0 299.459 1.367 10 0 CDAERP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C[C@H]1CC[NH2+]C1 ZINC000662406959 412974595 /nfs/dbraw/zinc/97/45/95/412974595.db2.gz OBAQKTAHZRZRRG-KBUPBQIOSA-N 2 0 281.444 1.469 10 0 CDAERP CCC(C)(C)[NH+]1CCN(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000655966743 412979695 /nfs/dbraw/zinc/97/96/95/412979695.db2.gz GLQSZJMTNPYMLA-KBPBESRZSA-N 2 0 296.459 1.500 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000655970630 412983605 /nfs/dbraw/zinc/98/36/05/412983605.db2.gz WARKAFWKVULFPM-QMIVOQANSA-N 2 0 294.443 1.014 10 0 CDAERP CCCN(C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@H]1CC[NH2+]C1 ZINC000655970788 412984190 /nfs/dbraw/zinc/98/41/90/412984190.db2.gz MEPOFQHLKFIGQG-MELADBBJSA-N 2 0 282.432 1.110 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)CN1CCC[C@H](OC(F)F)C1 ZINC000660233600 413001937 /nfs/dbraw/zinc/00/19/37/413001937.db2.gz CHBFJAXINRPVCC-RYUDHWBXSA-N 2 0 280.359 1.391 10 0 CDAERP C[NH+](C)Cc1ccc(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc1 ZINC000646920570 390290370 /nfs/dbraw/zinc/29/03/70/390290370.db2.gz RXWYEDIEMDYYIF-CVEARBPZSA-N 2 0 287.407 1.524 10 0 CDAERP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000647034932 390370146 /nfs/dbraw/zinc/37/01/46/390370146.db2.gz KLHMXYLNQJIQKW-MJBXVCDLSA-N 2 0 285.407 1.409 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[C@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000418545848 285387549 /nfs/dbraw/zinc/38/75/49/285387549.db2.gz GUXLUDZECMMIEK-KFWWJZLASA-N 2 0 296.459 1.500 10 0 CDAERP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)C[NH2+]CC1CC1 ZINC000648198309 390949906 /nfs/dbraw/zinc/94/99/06/390949906.db2.gz MALISPOETCZJEU-HNNXBMFYSA-N 2 0 273.380 1.071 10 0 CDAERP O=C(CCC1CC[NH2+]CC1)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000648209966 390952653 /nfs/dbraw/zinc/95/26/53/390952653.db2.gz GLGGCYVBYLCXIY-CQSZACIVSA-N 2 0 279.428 1.557 10 0 CDAERP COc1ccccc1/C=C/C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647492811 390969547 /nfs/dbraw/zinc/96/95/47/390969547.db2.gz AYQLTTKZUCYXKA-FNORWQNLSA-N 2 0 289.423 1.545 10 0 CDAERP CCc1nn(C)cc1CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000647541517 390982949 /nfs/dbraw/zinc/98/29/49/390982949.db2.gz PYCVMOBFPSFSNR-OAHLLOKOSA-N 2 0 262.401 1.558 10 0 CDAERP CC(C)Cn1ccnc1CN[C@@H]1C[NH2+]C[C@H](C)C1 ZINC000647551482 390996881 /nfs/dbraw/zinc/99/68/81/390996881.db2.gz PRXHMUVCTYCFTD-OLZOCXBDSA-N 2 0 250.390 1.627 10 0 CDAERP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@H](Nc3ncccn3)C2)CC[NH2+]1 ZINC000647552665 390997957 /nfs/dbraw/zinc/99/79/57/390997957.db2.gz QAGONJUQPDHZFY-RDBSUJKOSA-N 2 0 275.400 1.351 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC1CCC(F)CC1 ZINC000647804014 391066979 /nfs/dbraw/zinc/06/69/79/391066979.db2.gz HURLLHIGWIJNEN-ASUPZPJHSA-N 2 0 258.381 1.857 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000567910628 391130221 /nfs/dbraw/zinc/13/02/21/391130221.db2.gz AEMVRAJQAQJZSI-YNEHKIRRSA-N 2 0 253.390 1.057 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCC[NH2+]C2CC2)[C@H](C)C1 ZINC000418290160 391172659 /nfs/dbraw/zinc/17/26/59/391172659.db2.gz ZRHSBACGYKKKAE-UKRRQHHQSA-N 2 0 296.459 1.500 10 0 CDAERP C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)C1CC[NH2+]CC1 ZINC000647902768 391199406 /nfs/dbraw/zinc/19/94/06/391199406.db2.gz BZAFXYOVHLYYKG-JKSUJKDBSA-N 3 0 265.445 1.840 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000417826548 391491541 /nfs/dbraw/zinc/49/15/41/391491541.db2.gz MZHVDADMCNJBPT-BPLDGKMQSA-N 2 0 289.423 1.827 10 0 CDAERP COCCN1CCC[C@@H]1C[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000356907512 391493609 /nfs/dbraw/zinc/49/36/09/391493609.db2.gz XGJNSHLLLKMATL-SOUVJXGZSA-N 2 0 270.417 1.502 10 0 CDAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2COC2)[C@@H](C)C1 ZINC000528025901 391583805 /nfs/dbraw/zinc/58/38/05/391583805.db2.gz PHTQBAXRXAVOOF-DZGCQCFKSA-N 2 0 270.417 1.359 10 0 CDAERP C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CC1COC1 ZINC000528027406 391585264 /nfs/dbraw/zinc/58/52/64/391585264.db2.gz SIUDTTLMFMVZCQ-XJKSGUPXSA-N 2 0 275.396 1.528 10 0 CDAERP c1nc2c([nH]1)C[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@H]3C1)CC2 ZINC000647798803 391660868 /nfs/dbraw/zinc/66/08/68/391660868.db2.gz XQLJVXDPARLDQE-FDYHWXHSSA-N 2 0 260.385 1.245 10 0 CDAERP CC(=O)c1ccc2c(c1)CC[N@@H+](C[C@H]1CC[NH2+]C1)CC2 ZINC000647990899 391672606 /nfs/dbraw/zinc/67/26/06/391672606.db2.gz UBOSZOIQLCIJFR-AWEZNQCLSA-N 2 0 272.392 1.899 10 0 CDAERP CC[C@@H]1C[C@H](C[NH2+]C[C@H]2C[NH2+]CCCO2)CCO1 ZINC000415051572 391726554 /nfs/dbraw/zinc/72/65/54/391726554.db2.gz ZXUYJWUNLBSDIW-MGPQQGTHSA-N 2 0 256.390 1.160 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000418202843 391805138 /nfs/dbraw/zinc/80/51/38/391805138.db2.gz NVKKXCOHZOZGKX-RRFJBIMHSA-N 2 0 296.459 1.500 10 0 CDAERP C[NH+](C)C1(CNC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CCC1 ZINC000334949603 391997261 /nfs/dbraw/zinc/99/72/61/391997261.db2.gz AQNLDGNLNCDUGQ-BETUJISGSA-N 2 0 280.416 1.007 10 0 CDAERP C[C@@H]1CCC[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000334875334 391968550 /nfs/dbraw/zinc/96/85/50/391968550.db2.gz RHDGSDWJYZOFLE-ZIAGYGMSSA-N 2 0 267.417 1.306 10 0 CDAERP CC(C)[C@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000336785474 392058486 /nfs/dbraw/zinc/05/84/86/392058486.db2.gz DRTPNQXEHPCKAV-LSDHHAIUSA-N 2 0 254.418 1.811 10 0 CDAERP C[N@@H+]1CCC[C@H](N2CC[NH+](CCC[C@H]3CCOC3)CC2)C1 ZINC000645828416 392181032 /nfs/dbraw/zinc/18/10/32/392181032.db2.gz QDCOTVGKPCOCJP-IRXDYDNUSA-N 2 0 295.471 1.515 10 0 CDAERP C[N@H+](CCCC1CC[NH2+]CC1)[C@H]1CCN(C2CC2)C1 ZINC000649412536 392196712 /nfs/dbraw/zinc/19/67/12/392196712.db2.gz RJFRMYRBZDNYHM-INIZCTEOSA-N 2 0 265.445 1.935 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000252445775 392248322 /nfs/dbraw/zinc/24/83/22/392248322.db2.gz FTQOQZGWPAWOSF-OAGGEKHMSA-N 2 0 293.455 1.707 10 0 CDAERP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCn1ccnn1 ZINC000423031492 392287591 /nfs/dbraw/zinc/28/75/91/392287591.db2.gz LCBITGRGXNZTBM-DZGCQCFKSA-N 2 0 273.384 1.216 10 0 CDAERP C[C@H](CCN[C@H](C1CC1)[C@@H]1C[NH2+]CCO1)[NH+]1CCCCC1 ZINC000423033612 392289790 /nfs/dbraw/zinc/28/97/90/392289790.db2.gz OTBRHHNUOQCQET-HYVNUMGLSA-N 2 0 295.471 1.608 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H](C)c1nc(C)cs1 ZINC000423036847 392291072 /nfs/dbraw/zinc/29/10/72/392291072.db2.gz LWFLSKYDSMHOPY-JQWIXIFHSA-N 2 0 271.430 1.899 10 0 CDAERP C[C@H]1COCC[C@H]1[NH2+]C/C=C/C[NH2+][C@H]1CCOC[C@H]1C ZINC000433148195 392358968 /nfs/dbraw/zinc/35/89/68/392358968.db2.gz QIGZRZWGAUOZEF-RWGICRFRSA-N 2 0 282.428 1.572 10 0 CDAERP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)[C@H](C)OC)CC[NH2+]CC1 ZINC000423143277 392380682 /nfs/dbraw/zinc/38/06/82/392380682.db2.gz WVCNROWXHRMPTN-AGIUHOORSA-N 2 0 286.416 1.321 10 0 CDAERP COCCOc1ccc([C@H](C)[NH2+]CCC[NH3+])cc1OC ZINC000423175132 392415505 /nfs/dbraw/zinc/41/55/05/392415505.db2.gz DDLYKKMTMUQSLR-LBPRGKRZSA-N 2 0 282.384 1.720 10 0 CDAERP CC[C@@H]([NH2+]CCC[NH3+])c1ccccc1OCC(=O)N(C)C ZINC000423176865 392417055 /nfs/dbraw/zinc/41/70/55/392417055.db2.gz IDLSNENIOVRYSG-CQSZACIVSA-N 2 0 293.411 1.543 10 0 CDAERP [NH3+]CC1(CC(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000646469496 392468471 /nfs/dbraw/zinc/46/84/71/392468471.db2.gz BWOVZZQLEYIZCF-UHFFFAOYSA-N 2 0 265.401 1.249 10 0 CDAERP C[NH2+]CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423225504 392455322 /nfs/dbraw/zinc/45/53/22/392455322.db2.gz NARAQXGFTHWTTF-BJWYYQGGSA-N 2 0 273.424 1.991 10 0 CDAERP Cn1ccc([C@@H]([NH2+]CCCC[NH3+])c2ccc(F)cc2)n1 ZINC000423325265 392549767 /nfs/dbraw/zinc/54/97/67/392549767.db2.gz LHSFPSCKONZCLZ-HNNXBMFYSA-N 2 0 276.359 1.977 10 0 CDAERP C[C@H](Cc1ccoc1)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000449134787 392665421 /nfs/dbraw/zinc/66/54/21/392665421.db2.gz LJRBPFJUPFFTCV-ZIAGYGMSSA-N 2 0 265.401 1.436 10 0 CDAERP CC(C)[NH+]1CCC([NH2+][C@H]2CCC(=O)N[C@@H]2C)CC1 ZINC000336448104 392626997 /nfs/dbraw/zinc/62/69/97/392626997.db2.gz IVYFXSQDDZDDFC-YPMHNXCESA-N 2 0 253.390 1.116 10 0 CDAERP Cn1ncc(Cl)c1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000130518264 392911983 /nfs/dbraw/zinc/91/19/83/392911983.db2.gz ZIOGCMCYSPIMHC-UHFFFAOYSA-N 2 0 286.807 1.276 10 0 CDAERP [NH3+][C@@H]1CCC[C@H](C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C1 ZINC000218912334 392977605 /nfs/dbraw/zinc/97/76/05/392977605.db2.gz DDSZGSQPSYMIOR-BFHYXJOUSA-N 2 0 265.401 1.201 10 0 CDAERP Cn1cncc1CC[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000459357896 393112029 /nfs/dbraw/zinc/11/20/29/393112029.db2.gz MLBJXGVEXSHMRS-HNNXBMFYSA-N 2 0 276.428 1.626 10 0 CDAERP CC1CC[NH+](CCC[NH2+][C@@H]2CCC(=O)NC2(C)C)CC1 ZINC000494876337 393118912 /nfs/dbraw/zinc/11/89/12/393118912.db2.gz DLIDZUYNROPNHU-CQSZACIVSA-N 2 0 281.444 1.755 10 0 CDAERP CC1(C)NC(=O)CC[C@@H]1[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000494883270 393121010 /nfs/dbraw/zinc/12/10/10/393121010.db2.gz OTFGUWUDCGRRSP-YPMHNXCESA-N 2 0 265.401 1.118 10 0 CDAERP CC[C@@H]1[C@H](CO)CC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000451264008 393186319 /nfs/dbraw/zinc/18/63/19/393186319.db2.gz ZTZHVGKOTBDBDS-DLBZAZTESA-N 2 0 297.487 1.495 10 0 CDAERP CCN(C(=O)NC[C@@H]1CCCC[NH+]1CC)[C@H]1CC[N@H+](C)C1 ZINC000664074751 413062376 /nfs/dbraw/zinc/06/23/76/413062376.db2.gz XFVCUDOQNHVKPS-GJZGRUSLSA-N 2 0 296.459 1.596 10 0 CDAERP C[C@@H](C[NH2+][C@@H]1COC2(CCC2)C1)CN1CC[NH+](C)CC1 ZINC000657870837 413064503 /nfs/dbraw/zinc/06/45/03/413064503.db2.gz QSCYUTDQEWYSHJ-GJZGRUSLSA-N 2 0 281.444 1.171 10 0 CDAERP Cc1n[nH]cc1CCC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000089145967 139670989 /nfs/dbraw/zinc/67/09/89/139670989.db2.gz QCUAXJPSUDFUJK-GXTWGEPZSA-N 2 0 250.390 1.758 10 0 CDAERP C[C@@H](C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1)[NH+]1CCCCCC1 ZINC000186561924 140064390 /nfs/dbraw/zinc/06/43/90/140064390.db2.gz UBPHFPNMLBPSAQ-GJZGRUSLSA-N 2 0 293.455 1.994 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@H](C[NH+](C)C)C2)C1 ZINC000187800070 140083790 /nfs/dbraw/zinc/08/37/90/140083790.db2.gz XLBWWHPAFVREKO-ZIAGYGMSSA-N 2 0 282.432 1.064 10 0 CDAERP C[C@@H](CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1)[S@@](C)=O ZINC000229791867 140203511 /nfs/dbraw/zinc/20/35/11/140203511.db2.gz ZHVLDSKAQRZDSV-RNODOKPDSA-N 2 0 295.452 1.797 10 0 CDAERP C[C@H](CC(=O)N[C@@H]1C[NH2+]CC[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000249530642 140295703 /nfs/dbraw/zinc/29/57/03/140295703.db2.gz AXRGYIAXTOEFAH-YIYPIFLZSA-N 2 0 267.417 1.126 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)C1CCCC1 ZINC000250023522 140300723 /nfs/dbraw/zinc/30/07/23/140300723.db2.gz ZDJHCZHAZHUUGM-IMJJTQAJSA-N 2 0 293.455 1.898 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000261726009 140381732 /nfs/dbraw/zinc/38/17/32/140381732.db2.gz KRHXIEFHXBHRIG-GJZGRUSLSA-N 2 0 281.444 1.885 10 0 CDAERP COc1cc(CN2CC[C@](C)(C[NH3+])C2)cc2c1OCCO2 ZINC000261813648 140392531 /nfs/dbraw/zinc/39/25/31/140392531.db2.gz OXWOBHIKZLQVBJ-MRXNPFEDSA-N 2 0 292.379 1.637 10 0 CDAERP O=C(CC[C@@H]1CC[NH2+]C1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000261824158 140394895 /nfs/dbraw/zinc/39/48/95/140394895.db2.gz MTUWASAQJKTNMW-ZBFHGGJFSA-N 2 0 293.455 1.757 10 0 CDAERP [NH3+]C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1c1ccccc1 ZINC000261861114 140399947 /nfs/dbraw/zinc/39/99/47/140399947.db2.gz WHROLBWVOBPGOC-CVEARBPZSA-N 2 0 287.407 1.283 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+](CC=C(C)C)C1 ZINC001663633213 1172737310 /nfs/dbraw/zinc/73/73/10/1172737310.db2.gz CDIUKQSMLLGIQA-OAHLLOKOSA-N 2 0 281.444 1.733 10 0 CDAERP COCCC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)C1CC1 ZINC001663730471 1172752825 /nfs/dbraw/zinc/75/28/25/1172752825.db2.gz KBUNPWOJBAGDCD-OAHLLOKOSA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@@H](C(=O)NCC[N@H+](CC=C(C)C)C1CC1)[NH+](C)C ZINC001663768756 1172759518 /nfs/dbraw/zinc/75/95/18/1172759518.db2.gz KXLZEYYIVJGQED-HNNXBMFYSA-N 2 0 281.444 1.873 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662593104 413160019 /nfs/dbraw/zinc/16/00/19/413160019.db2.gz LKGJWWMLLPWYGZ-CHWSQXEVSA-N 2 0 269.433 1.596 10 0 CDAERP CC(C)(C)N1CC[C@@H]1C[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000658061966 413165311 /nfs/dbraw/zinc/16/53/11/413165311.db2.gz QCLQZFIADNPHSM-NEPJUHHUSA-N 2 0 267.417 1.506 10 0 CDAERP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)[C@H]1CCOC1 ZINC000658073599 413174875 /nfs/dbraw/zinc/17/48/75/413174875.db2.gz YGNIRSCQZIWAFP-UYJHQMFVSA-N 2 0 282.428 1.500 10 0 CDAERP CO[C@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000658073976 413174913 /nfs/dbraw/zinc/17/49/13/413174913.db2.gz QPQRUAXZBZHSGK-VHDGCEQUSA-N 2 0 270.417 1.358 10 0 CDAERP CO[C@@H](C[NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@H]1CCOC1 ZINC000658074261 413174693 /nfs/dbraw/zinc/17/46/93/413174693.db2.gz SCJXZBYFIIJKNK-ZFWWWQNUSA-N 2 0 284.444 1.890 10 0 CDAERP COCc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)o1 ZINC000382711669 397848770 /nfs/dbraw/zinc/84/87/70/397848770.db2.gz FFYNFSAZKPLNDQ-BPNCWPANSA-N 2 0 250.342 1.595 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N(C)C[C@H]1CCC[NH+]1C ZINC000651196561 397875444 /nfs/dbraw/zinc/87/54/44/397875444.db2.gz FQJOZFDPEJJRHA-OAHLLOKOSA-N 2 0 298.475 1.700 10 0 CDAERP CC[C@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)[C@H](O)C(F)F ZINC000651399647 397986321 /nfs/dbraw/zinc/98/63/21/397986321.db2.gz XHCGQEOLSHLZKV-USWWRNFRSA-N 2 0 264.360 1.711 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000251728368 297090984 /nfs/dbraw/zinc/09/09/84/297090984.db2.gz KFPLACDDGBTRMU-MCIONIFRSA-N 2 0 265.401 1.071 10 0 CDAERP COC1([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)CCOCC1 ZINC000453246506 292136030 /nfs/dbraw/zinc/13/60/30/292136030.db2.gz VGQUOSHUKXQFQX-QWHCGFSZSA-N 2 0 258.406 1.358 10 0 CDAERP O[C@]1(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCOC1 ZINC000404206543 413201752 /nfs/dbraw/zinc/20/17/52/413201752.db2.gz NORHBGSGJCATKW-MRXNPFEDSA-N 2 0 291.395 1.182 10 0 CDAERP CCC[NH+]1CCC([NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000094370356 147087041 /nfs/dbraw/zinc/08/70/41/147087041.db2.gz PYJQVZILSJFERO-CVEARBPZSA-N 2 0 282.428 1.789 10 0 CDAERP CCC[NH+]1CCC([NH2+][C@@H]2CCO[C@]3(CCOC3)C2)CC1 ZINC000094370354 147087296 /nfs/dbraw/zinc/08/72/96/147087296.db2.gz PYJQVZILSJFERO-HZPDHXFCSA-N 2 0 282.428 1.789 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)NCC[N@H+](C)C(C)C)CC1 ZINC000102016094 147146850 /nfs/dbraw/zinc/14/68/50/147146850.db2.gz LMAASAMMLGMAFJ-UHFFFAOYSA-N 2 0 298.475 1.748 10 0 CDAERP CC[C@H](C(=O)N(C)CC[NH2+]Cc1ncccc1C)[NH+](C)C ZINC001664008189 1172801224 /nfs/dbraw/zinc/80/12/24/1172801224.db2.gz DFICQWZKDVUTAS-OAHLLOKOSA-N 2 0 292.427 1.278 10 0 CDAERP C[C@@H](NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)C(C)(C)C[NH+](C)C ZINC000176092113 148023210 /nfs/dbraw/zinc/02/32/10/148023210.db2.gz VOOHYTCFEKLZKH-ZIAGYGMSSA-N 2 0 296.459 1.452 10 0 CDAERP CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H]2CCC[NH+](CC)C2)C1 ZINC000177861934 148043709 /nfs/dbraw/zinc/04/37/09/148043709.db2.gz AZUWNQFFFDVOTN-CABCVRRESA-N 2 0 296.459 1.454 10 0 CDAERP CC[C@@]1(C(=O)N2CCC[N@@H+](C3CC3)CC2)CCC[NH2+]1 ZINC000184159076 148335989 /nfs/dbraw/zinc/33/59/89/148335989.db2.gz PASVNCOPCADRNT-HNNXBMFYSA-N 2 0 265.401 1.215 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)CC[C@@H](C)[NH3+])CC1 ZINC000193303311 148619997 /nfs/dbraw/zinc/61/99/97/148619997.db2.gz YYYCDCOUESIPIW-GFCCVEGCSA-N 2 0 255.406 1.352 10 0 CDAERP CN(CC[NH2+]Cc1cncs1)C(=O)CCC[NH+](C)C ZINC001664147273 1172818241 /nfs/dbraw/zinc/81/82/41/1172818241.db2.gz ZEOYCVWHQOUCLN-UHFFFAOYSA-N 2 0 284.429 1.033 10 0 CDAERP O[C@H]1C[NH2+]C[C@H]1CNCc1ccccc1OC(F)(F)F ZINC000262087824 149013242 /nfs/dbraw/zinc/01/32/42/149013242.db2.gz GHNWYNPFUHFPKB-MNOVXSKESA-N 2 0 290.285 1.255 10 0 CDAERP CC(C)[C@H](C(=O)N(C)CC[NH2+]Cc1ccccn1)[NH+](C)C ZINC001664321717 1172839789 /nfs/dbraw/zinc/83/97/89/1172839789.db2.gz WNLBJCHIISATSB-OAHLLOKOSA-N 2 0 292.427 1.216 10 0 CDAERP C[NH+]1CCC(CC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000335856514 151078400 /nfs/dbraw/zinc/07/84/00/151078400.db2.gz MYYONSCHTINNLR-MQVJKMGUSA-N 2 0 293.455 1.850 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CCC[N@H+](C)CC1 ZINC000336167058 151328404 /nfs/dbraw/zinc/32/84/04/151328404.db2.gz AIUNKLVAJWTBKE-HUUCEWRRSA-N 2 0 296.459 1.596 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000343827006 152317245 /nfs/dbraw/zinc/31/72/45/152317245.db2.gz CMIGDZTZHVIQBL-KBPBESRZSA-N 2 0 267.417 1.413 10 0 CDAERP O=C(C[N@@H+]1CC[C@@H](C2CC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000344037144 152398989 /nfs/dbraw/zinc/39/89/89/152398989.db2.gz STQAWRGCDZUNKC-CQSZACIVSA-N 2 0 291.439 1.461 10 0 CDAERP CC[C@H]1C[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C[C@H]1O ZINC000346169683 153080938 /nfs/dbraw/zinc/08/09/38/153080938.db2.gz MOHQPTIXINXARO-XJKSGUPXSA-N 2 0 286.379 1.778 10 0 CDAERP COCC[N@@H+]1CC[C@H](N(CCC[NH3+])c2cccc(F)c2)C1 ZINC000346365132 153156221 /nfs/dbraw/zinc/15/62/21/153156221.db2.gz OIULFLBUXCUAQE-INIZCTEOSA-N 2 0 295.402 1.702 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C)CC1 ZINC000349080254 154046753 /nfs/dbraw/zinc/04/67/53/154046753.db2.gz KEOGAJLHXCHAEO-ZDUSSCGKSA-N 2 0 253.390 1.071 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@@H](C)CO ZINC000349298685 154083179 /nfs/dbraw/zinc/08/31/79/154083179.db2.gz PQGUFCJTDJZJIJ-NSHDSACASA-N 2 0 260.341 1.388 10 0 CDAERP C/C=C/C[C@H](CO)[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000349853759 154241222 /nfs/dbraw/zinc/24/12/22/154241222.db2.gz SWUHUQFAYPVFFI-NHZBNJEXSA-N 2 0 286.379 1.992 10 0 CDAERP C[NH+](C)CCCCNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662681707 413304320 /nfs/dbraw/zinc/30/43/20/413304320.db2.gz BXJDJKKKKIQOFC-UHFFFAOYSA-N 2 0 253.390 1.119 10 0 CDAERP C[C@@H]1CCC[N@H+](CCNC(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662681262 413303373 /nfs/dbraw/zinc/30/33/73/413303373.db2.gz XWAIHAGUMIITKR-CYBMUJFWSA-N 2 0 279.428 1.509 10 0 CDAERP COc1c(C[NH2+]C2CCC([NH+](C)C)CC2)c(C)nn1C ZINC000353685262 156011851 /nfs/dbraw/zinc/01/18/51/156011851.db2.gz UJLQZWFRLCOWOR-UHFFFAOYSA-N 2 0 280.416 1.700 10 0 CDAERP [NH3+]C1(CC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CC1 ZINC000662692458 413322823 /nfs/dbraw/zinc/32/28/23/413322823.db2.gz XGPZNIGVSSBDAC-UHFFFAOYSA-N 2 0 293.455 1.982 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C[C@@H](O)C(F)(F)F)C[C@@H]1C ZINC000358969635 158086555 /nfs/dbraw/zinc/08/65/55/158086555.db2.gz IMYBLSPORAJKED-GARJFASQSA-N 2 0 268.323 1.714 10 0 CDAERP C[N@H+](CCNC(=O)C1([NH2+]C2CC2)CCC1)C1CCCC1 ZINC000662721088 413382117 /nfs/dbraw/zinc/38/21/17/413382117.db2.gz QAXVRWNBTWBYKF-UHFFFAOYSA-N 2 0 279.428 1.652 10 0 CDAERP CC[NH+](CC)CCCNC(=O)CC1CC[NH+](C)CC1 ZINC000362379762 159135493 /nfs/dbraw/zinc/13/54/93/159135493.db2.gz UQKJXOIMRWOCFM-UHFFFAOYSA-N 2 0 269.433 1.566 10 0 CDAERP Cc1nc2ccccc2n1CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000372906963 160157137 /nfs/dbraw/zinc/15/71/37/160157137.db2.gz VDXUAJNSXWLHNV-OKILXGFUSA-N 2 0 298.390 1.698 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)C2([NH2+]C3CC3)CCC2)CC[N@@H+]1C ZINC000662746649 413419652 /nfs/dbraw/zinc/41/96/52/413419652.db2.gz VLLJTEMAPFVLFZ-TZMCWYRMSA-N 2 0 279.428 1.602 10 0 CDAERP COc1cc(C[NH3+])cc(Cl)c1OCC[NH+](C)C ZINC000011895117 170456334 /nfs/dbraw/zinc/45/63/34/170456334.db2.gz LLOXKSIPRJMSOC-UHFFFAOYSA-N 2 0 258.749 1.748 10 0 CDAERP CCC[NH+]1CCN([C@@H](C[NH3+])c2ccccc2OC)CC1 ZINC000020179554 171044610 /nfs/dbraw/zinc/04/46/10/171044610.db2.gz NEYVSYPJGUOATG-HNNXBMFYSA-N 2 0 277.412 1.723 10 0 CDAERP C[NH+]1CCN([C@@H](C[NH3+])c2ccc(C(F)(F)F)cc2)CC1 ZINC000022213750 171375066 /nfs/dbraw/zinc/37/50/66/171375066.db2.gz WEHGOCKWCOSGAR-ZDUSSCGKSA-N 2 0 287.329 1.953 10 0 CDAERP CC[NH+]1CCN([C@@H](C[NH3+])c2c(F)cccc2F)CC1 ZINC000022221608 171378405 /nfs/dbraw/zinc/37/84/05/171378405.db2.gz NOWDRDVKBINGHH-ZDUSSCGKSA-N 2 0 269.339 1.602 10 0 CDAERP C[NH2+]Cc1ccc(NC(=O)c2cc(C(C)(C)[NH3+])no2)cc1 ZINC000662781144 413489059 /nfs/dbraw/zinc/48/90/59/413489059.db2.gz APIHLBUNAVROPZ-UHFFFAOYSA-N 2 0 288.351 1.840 10 0 CDAERP CC[C@H]1C[N@H+](CC)CCN1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654663466 413558854 /nfs/dbraw/zinc/55/88/54/413558854.db2.gz POBAEUZPFOUFTL-SOUVJXGZSA-N 2 0 296.459 1.452 10 0 CDAERP CCO[C@@H]1CN(CC(=O)N2[C@H](C)CCC[C@H]2C)C[C@H]1C[NH3+] ZINC000405613004 413639334 /nfs/dbraw/zinc/63/93/34/413639334.db2.gz SVLUDZPHPPRTGX-KBUPBQIOSA-N 2 0 297.443 1.072 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H](Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)C1 ZINC000656793892 413661635 /nfs/dbraw/zinc/66/16/35/413661635.db2.gz WHXHKNKANGHVQA-MAZHCROVSA-N 2 0 275.396 1.757 10 0 CDAERP C[C@@H]1CCCN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)[C@@H]1CCC[NH3+] ZINC000662893074 413670191 /nfs/dbraw/zinc/67/01/91/413670191.db2.gz JNSPJUGLLIWLFN-CBBWQLFWSA-N 2 0 281.444 1.741 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000662851903 413607023 /nfs/dbraw/zinc/60/70/23/413607023.db2.gz FIIRVNMLZDIRHT-OLZOCXBDSA-N 2 0 281.444 1.754 10 0 CDAERP [NH3+][C@@H]1CN(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC[C@H]1F ZINC000659487298 413878253 /nfs/dbraw/zinc/87/82/53/413878253.db2.gz WOCUJRIVXSKVDH-BFHYXJOUSA-N 2 0 298.406 1.084 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407271339 413917018 /nfs/dbraw/zinc/91/70/18/413917018.db2.gz PMKCZKJPDNHYBP-UBHSHLNASA-N 2 0 267.417 1.364 10 0 CDAERP CC1CC[NH+](CCCNC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC000407360473 413941346 /nfs/dbraw/zinc/94/13/46/413941346.db2.gz HFMIHPGFZAXICT-HOTGVXAUSA-N 2 0 293.455 1.755 10 0 CDAERP CCOCCC[N@@H+]1CC[C@@H](NCC23CC(C2)C[NH2+]3)[C@H](C)C1 ZINC000665277741 414014125 /nfs/dbraw/zinc/01/41/25/414014125.db2.gz KKQZFTJRESDEKG-KZYLPZIUSA-N 2 0 295.471 1.465 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1ccccn1 ZINC000665232379 413959944 /nfs/dbraw/zinc/95/99/44/413959944.db2.gz LZEGGOBEOYIXON-MUIFIZLQSA-N 2 0 289.423 1.932 10 0 CDAERP C[C@@H]1C[N@H+](C)C[C@H]1N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665254144 413978549 /nfs/dbraw/zinc/97/85/49/413978549.db2.gz IQQJEVFZNKNBMI-BASLNEPJSA-N 2 0 291.414 1.811 10 0 CDAERP C[C@]1(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CC1(F)F ZINC000665267415 414000811 /nfs/dbraw/zinc/00/08/11/414000811.db2.gz WGOSVCNXEYKAGN-YVECIDJPSA-N 2 0 274.355 1.778 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)[C@H]2C[C@@H]2C)CC1 ZINC000665289636 414025476 /nfs/dbraw/zinc/02/54/76/414025476.db2.gz SYRCRGPUALTRBQ-GUTXKFCHSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665292855 414034382 /nfs/dbraw/zinc/03/43/82/414034382.db2.gz KVOUMMCMJZBCHV-GLQYFDAESA-N 2 0 298.390 1.923 10 0 CDAERP C[C@H](C(=O)N(C)C)[N@H+](CCC[NH3+])C1CCCCCC1 ZINC000037299934 173104965 /nfs/dbraw/zinc/10/49/65/173104965.db2.gz WQILPSFRNZDBBR-CYBMUJFWSA-N 2 0 269.433 1.837 10 0 CDAERP COc1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1O ZINC000655826120 414220370 /nfs/dbraw/zinc/22/03/70/414220370.db2.gz QNBOXKQODIRTNK-BETUJISGSA-N 2 0 264.369 1.831 10 0 CDAERP CCn1nc(C)c(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1C ZINC000655826011 414229600 /nfs/dbraw/zinc/22/96/00/414229600.db2.gz CCUIGOCKLDRCHC-OKILXGFUSA-N 2 0 264.417 1.950 10 0 CDAERP COCCN1CC[C@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000663344626 414167938 /nfs/dbraw/zinc/16/79/38/414167938.db2.gz CVAUGSFJWIUEHA-SJORKVTESA-N 2 0 295.471 1.419 10 0 CDAERP CCN(C(=O)NCC[NH+]1CCC[C@@H](C)C1)[C@H]1CC[N@H+](C)C1 ZINC000663628690 414379838 /nfs/dbraw/zinc/37/98/38/414379838.db2.gz HSAZCDGKPCPMKD-CABCVRRESA-N 2 0 296.459 1.454 10 0 CDAERP CCN(C(=O)N[C@H](C)C[NH+]1CCCCC1)[C@H]1CC[N@H+](C)C1 ZINC000663640650 414385311 /nfs/dbraw/zinc/38/53/11/414385311.db2.gz GFLLQHOYTFEBNN-CABCVRRESA-N 2 0 296.459 1.596 10 0 CDAERP COC[C@@H](C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)OC ZINC000662275009 414607021 /nfs/dbraw/zinc/60/70/21/414607021.db2.gz PGXHYKDGTTWZQS-ZIAGYGMSSA-N 2 0 256.390 1.112 10 0 CDAERP CC(C)[N@H+](CCc1nccs1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662280173 414611773 /nfs/dbraw/zinc/61/17/73/414611773.db2.gz YFOBYUXPTCFKLG-CYBMUJFWSA-N 2 0 295.452 1.917 10 0 CDAERP COC[C@H](C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1)OC ZINC000662282953 414614144 /nfs/dbraw/zinc/61/41/44/414614144.db2.gz FLRYCRYAFDDAPI-BARDWOONSA-N 2 0 286.416 1.009 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCN1CCc2c(cccc2C(N)=O)C1 ZINC000662298581 414623616 /nfs/dbraw/zinc/62/36/16/414623616.db2.gz OGVIMRPPURLKQE-CQSZACIVSA-N 2 0 287.407 1.628 10 0 CDAERP CN(c1nc(CN[C@](C)(C[NH3+])C2CC2)cs1)C1CC1 ZINC000662248062 414582939 /nfs/dbraw/zinc/58/29/39/414582939.db2.gz RWGQGHLFHNIVIE-CQSZACIVSA-N 2 0 280.441 1.959 10 0 CDAERP O=C1CCCN1c1ccc(C[NH2+]C2CC[NH2+]CC2)cc1 ZINC000038040683 174041119 /nfs/dbraw/zinc/04/11/19/174041119.db2.gz KSFPJZYFPHSEIP-UHFFFAOYSA-N 2 0 273.380 1.655 10 0 CDAERP Cc1ccccc1C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508047 174302578 /nfs/dbraw/zinc/30/25/78/174302578.db2.gz YZGQRWZKPAWJGW-INIZCTEOSA-N 2 0 287.407 1.391 10 0 CDAERP C[C@H]([NH3+])[C@H](c1ccco1)N(C)C1CC[NH+](C)CC1 ZINC000043334450 175010421 /nfs/dbraw/zinc/01/04/21/175010421.db2.gz ZZTXJBFZUVDHKD-SMDDNHRTSA-N 2 0 251.374 1.694 10 0 CDAERP CC[C@H]([NH3+])[C@@H](c1ccncc1)N1CC[NH+](CC)CC1 ZINC000043353011 175020418 /nfs/dbraw/zinc/02/04/18/175020418.db2.gz RMQTUIHIPAXPBL-LSDHHAIUSA-N 2 0 262.401 1.498 10 0 CDAERP CC(C)(C)[NH+]1CCN([C@@H](C[NH3+])c2ccncc2)CC1 ZINC000043354125 175021539 /nfs/dbraw/zinc/02/15/39/175021539.db2.gz HRHUXJZRDJBSMR-AWEZNQCLSA-N 2 0 262.401 1.498 10 0 CDAERP CC[C@@H]([NH3+])[C@@H](N1CCC(C[NH+](C)C)CC1)C(F)(F)F ZINC000043378704 175030836 /nfs/dbraw/zinc/03/08/36/175030836.db2.gz CAXNUMYWXJPORU-VXGBXAGGSA-N 2 0 281.366 1.928 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)CC[C@@H]2CCC[NH2+]C2)C1 ZINC000043590922 175074079 /nfs/dbraw/zinc/07/40/79/175074079.db2.gz ALJJPRCANXSHKL-UONOGXRCSA-N 2 0 267.417 1.367 10 0 CDAERP CC(C)[C@H](CNC(=O)[C@H]1[NH2+]CCc2ccccc21)[NH+](C)C ZINC000043595769 175076588 /nfs/dbraw/zinc/07/65/88/175076588.db2.gz YODSFAPDLYBELZ-HOTGVXAUSA-N 2 0 289.423 1.576 10 0 CDAERP CC[NH+]1CCN([C@@H](C)[C@H]([NH2+]C)c2ccccc2)CC1 ZINC000043805712 175107678 /nfs/dbraw/zinc/10/76/78/175107678.db2.gz FIGFSGZZCDSDQR-HOCLYGCPSA-N 2 0 261.413 1.973 10 0 CDAERP CC[NH2+][C@@H]1c2ccccc2C[C@H]1N1CC[NH+](C)CC1 ZINC000043810760 175110472 /nfs/dbraw/zinc/11/04/72/175110472.db2.gz DSBHRXZNPJHSSJ-HZPDHXFCSA-N 2 0 259.397 1.509 10 0 CDAERP C[NH2+][C@H](CN1CC[NH+](C2CC2)CC1)c1ccccc1OC ZINC000043967530 175128576 /nfs/dbraw/zinc/12/85/76/175128576.db2.gz XTHQJYYSOFUADL-MRXNPFEDSA-N 2 0 289.423 1.736 10 0 CDAERP CCC[NH2+][C@@H]1CCOC[C@H]1N1CC[NH+](CC2CC2)CC1 ZINC000043968024 175129250 /nfs/dbraw/zinc/12/92/50/175129250.db2.gz BSSYRGVJYNUYJG-HZPDHXFCSA-N 2 0 281.444 1.171 10 0 CDAERP CCC(CC)N1C(=O)C[C@@H]([NH2+]CC2CC[NH+](C)CC2)C1=O ZINC000044517970 175190709 /nfs/dbraw/zinc/19/07/09/175190709.db2.gz XISIUBGADGZCQX-CQSZACIVSA-N 2 0 295.427 1.234 10 0 CDAERP CCOC(=O)[C@H](C)C[NH2+]CC1CC[NH+](CC)CC1 ZINC000044518509 175191141 /nfs/dbraw/zinc/19/11/41/175191141.db2.gz ANATVTROJMLDRL-GFCCVEGCSA-N 2 0 256.390 1.507 10 0 CDAERP CCCNC(=O)CC[NH2+][C@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000045072635 175302140 /nfs/dbraw/zinc/30/21/40/175302140.db2.gz CHQRHPHHJVYCSM-AVGNSLFASA-N 2 0 255.406 1.221 10 0 CDAERP C[NH2+][C@@](C)(CCCC[NH+]1CCCCCC1)C(N)=O ZINC000045377450 175366787 /nfs/dbraw/zinc/36/67/87/175366787.db2.gz HHDKMNMNLHLDRU-AWEZNQCLSA-N 2 0 255.406 1.496 10 0 CDAERP CC(C)[NH2+][C@](C)(CCC[NH+]1CCCCCC1)C(N)=O ZINC000045377559 175367230 /nfs/dbraw/zinc/36/72/30/175367230.db2.gz GIZOHTILVAKSQA-OAHLLOKOSA-N 2 0 269.433 1.885 10 0 CDAERP CCC[NH2+][C@@](C)(CCCC[N@H+](C)C(C)C)C(N)=O ZINC000045377993 175367785 /nfs/dbraw/zinc/36/77/85/175367785.db2.gz UWJUETOEFRJNJQ-AWEZNQCLSA-N 2 0 257.422 1.741 10 0 CDAERP CCC[NH2+][C@@](C)(CCCC[N@H+](C)CCC)C(N)=O ZINC000045382207 175369670 /nfs/dbraw/zinc/36/96/70/175369670.db2.gz AYRJSNKCGVVTLH-AWEZNQCLSA-N 2 0 257.422 1.742 10 0 CDAERP CC[N@H+](CCC[C@@](C)([NH2+]C1CC1)C(N)=O)CC(C)C ZINC000045381903 175369835 /nfs/dbraw/zinc/36/98/35/175369835.db2.gz VMZNBYSXPRWAFV-OAHLLOKOSA-N 2 0 269.433 1.741 10 0 CDAERP COC1CC[NH+](CCC[C@](C)([NH2+]C(C)C)C(N)=O)CC1 ZINC000045389199 175373832 /nfs/dbraw/zinc/37/38/32/175373832.db2.gz JEMWWKXDAUZKDG-HNNXBMFYSA-N 2 0 285.432 1.119 10 0 CDAERP CCCCC[N@H+](C)CCCC[C@](C)([NH2+]C)C(N)=O ZINC000045387968 175374114 /nfs/dbraw/zinc/37/41/14/175374114.db2.gz WFGBXKMICTTXBB-AWEZNQCLSA-N 2 0 257.422 1.742 10 0 CDAERP Cc1cccc(C[NH2+]CC2CC[NH+](CCO)CC2)c1 ZINC000069418140 175828691 /nfs/dbraw/zinc/82/86/91/175828691.db2.gz KFXYWXJOBITPCB-UHFFFAOYSA-N 2 0 262.397 1.789 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000070489004 175955153 /nfs/dbraw/zinc/95/51/53/175955153.db2.gz HZXWQTXOAYQSIZ-ZBFHGGJFSA-N 2 0 265.445 1.935 10 0 CDAERP CCC[NH2+][C@H]1CCN(C[C@@H](C)C[NH+]2CCCC2)C1=O ZINC000071031242 176022668 /nfs/dbraw/zinc/02/26/68/176022668.db2.gz DABIDODERVOMFN-KBPBESRZSA-N 2 0 267.417 1.319 10 0 CDAERP C[NH2+][C@H]1CCCN([C@H](CC(C)C)C[NH+](C)C)C1=O ZINC000071031986 176023052 /nfs/dbraw/zinc/02/30/52/176023052.db2.gz QTXGBZGJRWZZSR-OLZOCXBDSA-N 2 0 255.406 1.173 10 0 CDAERP CC(C)[N@H+](C)CCCCN1CCC[C@H]([NH2+]C2CC2)C1=O ZINC000071034908 176024608 /nfs/dbraw/zinc/02/46/08/176024608.db2.gz MAYLJKVOCSJYML-HNNXBMFYSA-N 2 0 281.444 1.850 10 0 CDAERP CC[NH+](CC)[C@H](CN1CC[C@H]([NH2+]C)C1=O)c1ccccc1 ZINC000071037606 176026772 /nfs/dbraw/zinc/02/67/72/176026772.db2.gz VXOVZECDVUAGPL-JKSUJKDBSA-N 2 0 289.423 1.890 10 0 CDAERP COc1ccc([C@H]([NH3+])[C@H](C)N(C)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000071188720 176063342 /nfs/dbraw/zinc/06/33/42/176063342.db2.gz HGGMEIFKANIBPK-JJRVBVJISA-N 2 0 291.439 1.967 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)[C@@H](C[NH3+])c1ccc(F)c(F)c1 ZINC000071188615 176063764 /nfs/dbraw/zinc/06/37/64/176063764.db2.gz MQYSXHZIUHFOTE-ABAIWWIYSA-N 2 0 283.366 1.848 10 0 CDAERP CCC[C@]1(C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)CCC[NH2+]C1 ZINC000071189611 176065277 /nfs/dbraw/zinc/06/52/77/176065277.db2.gz HCWLEUJTXBEOIL-ZBFHGGJFSA-N 2 0 281.444 1.566 10 0 CDAERP Cc1cc(C)c(CO)c(N(C)C[C@@H]2CC[N@H+](C)C2)[nH+]1 ZINC000071190285 176066970 /nfs/dbraw/zinc/06/69/70/176066970.db2.gz KMJMSBWPIQNHRF-CYBMUJFWSA-N 2 0 263.385 1.579 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)C[C@@H]2CC[NH+](C)C2)O1 ZINC000071192048 176073750 /nfs/dbraw/zinc/07/37/50/176073750.db2.gz BMCLZPUZAYUWSV-ILXRZTDVSA-N 3 0 269.433 1.027 10 0 CDAERP CC(C)[NH2+][C@H]1CCN(CC[N@H+](C)C2CCCC2)C1 ZINC000071199886 176077207 /nfs/dbraw/zinc/07/72/07/176077207.db2.gz OPFGGRLJORVEIN-AWEZNQCLSA-N 2 0 253.434 1.933 10 0 CDAERP CC[NH2+][C@@H]1CCCN([C@@H](C)C[NH+]2CCCCC2)C1 ZINC000071201494 176078264 /nfs/dbraw/zinc/07/82/64/176078264.db2.gz NMDUGQYEHDVAEW-LSDHHAIUSA-N 2 0 253.434 1.935 10 0 CDAERP CCOC(=O)CCCCC[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071293467 176111565 /nfs/dbraw/zinc/11/15/65/176111565.db2.gz GNSHAQBIMYKQGG-AWEZNQCLSA-N 2 0 270.417 1.993 10 0 CDAERP C[N@H+](CCNC[C@H]1CCC[NH+](C)C1)C1CCCC1 ZINC000071377082 176141908 /nfs/dbraw/zinc/14/19/08/176141908.db2.gz VWGVDQGLNNWFEX-CQSZACIVSA-N 2 0 253.434 1.792 10 0 CDAERP CC(C)(O)C[NH+]1CCN([C@H](C[NH3+])c2cccc(F)c2)CC1 ZINC000071380110 176144374 /nfs/dbraw/zinc/14/43/74/176144374.db2.gz JWVHFVXBLDYHBW-OAHLLOKOSA-N 2 0 295.402 1.214 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)NC1(C[NH2+]CCF)CCCC1 ZINC001665940234 1173088931 /nfs/dbraw/zinc/08/89/31/1173088931.db2.gz ONNVRFBTBPKCHT-ZDUSSCGKSA-N 2 0 285.407 1.459 10 0 CDAERP O=C(CC[NH2+]C1CC1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000517245920 260130752 /nfs/dbraw/zinc/13/07/52/260130752.db2.gz FTAJMHWVDSYPQT-TZMCWYRMSA-N 2 0 265.401 1.119 10 0 CDAERP CC(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001666902394 1173204646 /nfs/dbraw/zinc/20/46/46/1173204646.db2.gz HVOUBIKHFXKXMP-BFHYXJOUSA-N 2 0 269.433 1.419 10 0 CDAERP C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000659473776 423797686 /nfs/dbraw/zinc/79/76/86/423797686.db2.gz MSZQGXWEDVBWLL-NWANDNLSSA-N 2 0 290.411 1.339 10 0 CDAERP C[N@H+](CC1CC1)C[C@H]1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662261741 423803492 /nfs/dbraw/zinc/80/34/92/423803492.db2.gz AKQBSVNXHXWDMN-CVEARBPZSA-N 2 0 293.455 1.171 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](C[C@H]2CNCCO2)CC1 ZINC000662260561 423805235 /nfs/dbraw/zinc/80/52/35/423805235.db2.gz MGZOCLBHQKHNFM-OAHLLOKOSA-N 2 0 269.433 1.029 10 0 CDAERP O=C(CC[NH2+]C1CC1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000655450228 423876223 /nfs/dbraw/zinc/87/62/23/423876223.db2.gz GYRZEDVAGULBSZ-JSGCOSHPSA-N 2 0 265.401 1.119 10 0 CDAERP COC1(C[NH2+]CCC[N@H+](C)CC(C)C)CCOCC1 ZINC000651866005 423828920 /nfs/dbraw/zinc/82/89/20/423828920.db2.gz QAXHZKHRSBDXMO-UHFFFAOYSA-N 2 0 272.433 1.750 10 0 CDAERP CC[NH+](CC)CC(=O)N1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000653260738 423839980 /nfs/dbraw/zinc/83/99/80/423839980.db2.gz KMHWUDGHZDCGON-RBSFLKMASA-N 2 0 297.443 1.216 10 0 CDAERP Oc1ccc2c(c1)C[N@@H+](CC[C@@H]1CC[NH2+]C1)CCO2 ZINC000662315161 423946954 /nfs/dbraw/zinc/94/69/54/423946954.db2.gz COPVBJKODNEQNH-LBPRGKRZSA-N 2 0 262.353 1.586 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)N(CC)[C@H]1CC[NH+](C)C1 ZINC000663941168 424065030 /nfs/dbraw/zinc/06/50/30/424065030.db2.gz JYHUCAXVVZFBOA-KGLIPLIRSA-N 2 0 284.448 1.452 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000652216785 424072053 /nfs/dbraw/zinc/07/20/53/424072053.db2.gz GKRLKFNRRYVXEW-ZIAGYGMSSA-N 2 0 284.448 1.262 10 0 CDAERP CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[NH+]1CCCCC1 ZINC000655246528 424079808 /nfs/dbraw/zinc/07/98/08/424079808.db2.gz KOIPUKMEMXJIKR-OWCLPIDISA-N 2 0 295.471 1.953 10 0 CDAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652240402 424120745 /nfs/dbraw/zinc/12/07/45/424120745.db2.gz ZPAIKEFVWYRMGM-ZDUSSCGKSA-N 2 0 282.432 1.099 10 0 CDAERP CCN(C(=O)N[C@@H]1CC[NH+](C)[C@H](C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000664216246 424182769 /nfs/dbraw/zinc/18/27/69/424182769.db2.gz GAIITWGDNUVLPT-MGPQQGTHSA-N 2 0 282.432 1.205 10 0 CDAERP C[C@@H](CCNC(=O)NC1CCC(C[NH+](C)C)CC1)[NH+](C)C ZINC000664506396 424278621 /nfs/dbraw/zinc/27/86/21/424278621.db2.gz XAIHURZSLXZEDT-NFOMZHRRSA-N 2 0 298.475 1.746 10 0 CDAERP CC(C)S(=O)(=O)CCCN1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000652354757 424298977 /nfs/dbraw/zinc/29/89/77/424298977.db2.gz HJPDEHKGHUWFSC-KBPBESRZSA-N 2 0 290.473 1.649 10 0 CDAERP O=C(NCCC[C@@H]1CCC[NH2+]1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653145728 424373918 /nfs/dbraw/zinc/37/39/18/424373918.db2.gz HKLOXNUKIMLTCH-IHRRRGAJSA-N 2 0 265.401 1.165 10 0 CDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000309703387 424329279 /nfs/dbraw/zinc/32/92/79/424329279.db2.gz GWHXMURMRKJOHD-IJEWVQPXSA-N 2 0 289.423 1.621 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000665272899 424483633 /nfs/dbraw/zinc/48/36/33/424483633.db2.gz NFTUXXYEFYRWSE-NZBPQXDJSA-N 2 0 264.417 1.847 10 0 CDAERP CC(C)[C@H]([NH3+])CCN[C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000665283539 424495064 /nfs/dbraw/zinc/49/50/64/424495064.db2.gz PMUILFORQWFZFM-IMJJTQAJSA-N 2 0 263.429 1.908 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cnc(C(F)(F)F)nc1 ZINC000665235699 424470952 /nfs/dbraw/zinc/47/09/52/424470952.db2.gz YUHREDSIGFISIJ-JGVFFNPUSA-N 2 0 262.279 1.711 10 0 CDAERP C(C[C@@H]1CCCOC1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000530211044 271153325 /nfs/dbraw/zinc/15/33/25/271153325.db2.gz LYAJITSMDNCUBK-ZQDZILKHSA-N 2 0 252.402 1.781 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000252413103 275940763 /nfs/dbraw/zinc/94/07/63/275940763.db2.gz OTQGFJRPWSIKHQ-IMJJTQAJSA-N 2 0 293.455 1.896 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000417240136 276013753 /nfs/dbraw/zinc/01/37/53/276013753.db2.gz PEPIKKYNEOSNIK-KFWWJZLASA-N 2 0 294.443 1.254 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)C[NH+](C)C)[C@H](C)C1 ZINC000358525339 276222654 /nfs/dbraw/zinc/22/26/54/276222654.db2.gz NVRBALSFKOKJMQ-RDBSUJKOSA-N 2 0 284.448 1.308 10 0 CDAERP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353624222 277008429 /nfs/dbraw/zinc/00/84/29/277008429.db2.gz SZCZFUQJMNSJSB-UXXRCYHCSA-N 2 0 279.428 1.364 10 0 CDAERP COCCN1CCC[C@@H]1C[NH2+][C@H](C)CCCC[NH3+] ZINC000422700241 277221997 /nfs/dbraw/zinc/22/19/97/277221997.db2.gz GCMNMNGLDLMPER-ZIAGYGMSSA-N 2 0 257.422 1.204 10 0 CDAERP CC[NH+](CC)CC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000371232632 279087189 /nfs/dbraw/zinc/08/71/89/279087189.db2.gz TYTGUGZMWXPILK-UONOGXRCSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000453315131 279248892 /nfs/dbraw/zinc/24/88/92/279248892.db2.gz IWZYWSKWJOQUFG-XJFOESAGSA-N 2 0 254.418 1.998 10 0 CDAERP CCC[C@H](C(=O)NCC[NH+]1CCC(C)CC1)[NH+](C)C ZINC000135998167 279831134 /nfs/dbraw/zinc/83/11/34/279831134.db2.gz FPASEQRFYNICGP-CQSZACIVSA-N 2 0 269.433 1.565 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000220943115 280093223 /nfs/dbraw/zinc/09/32/23/280093223.db2.gz MPROGKCBYXHLNT-TZMCWYRMSA-N 2 0 253.390 1.071 10 0 CDAERP O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000249380378 280111071 /nfs/dbraw/zinc/11/10/71/280111071.db2.gz QFNDJEYJWNIYMZ-XQLPTFJDSA-N 2 0 277.412 1.214 10 0 CDAERP CCOC(=O)CCC[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000245442986 280209090 /nfs/dbraw/zinc/20/90/90/280209090.db2.gz WSWMBYJCRCOLKN-KBPBESRZSA-N 2 0 270.417 1.992 10 0 CDAERP CCC[C@H](C(=O)NCC[N@H+](C)[C@H](C)CC)[NH+](C)C ZINC000245760517 280231682 /nfs/dbraw/zinc/23/16/82/280231682.db2.gz IKKRNNLCJIGGMC-CHWSQXEVSA-N 2 0 257.422 1.563 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)C1(C)C ZINC000245849044 280234608 /nfs/dbraw/zinc/23/46/08/280234608.db2.gz FZTKWSGIPINOPP-QLFBSQMISA-N 2 0 284.444 1.626 10 0 CDAERP CC[N@@H+]1CC[C@H](NC[C@H](O)C[NH+]2CCCCC2)[C@@H](C)C1 ZINC000246871116 280307279 /nfs/dbraw/zinc/30/72/79/280307279.db2.gz DKTNBOMJQSGOGU-JYJNAYRXSA-N 2 0 283.460 1.153 10 0 CDAERP CC[C@H]1CN(CCC[NH+](CC)CC)CC[N@@H+]1C[C@H](C)O ZINC000248944362 288287274 /nfs/dbraw/zinc/28/72/74/288287274.db2.gz CCBCXROHZJJEKS-HOTGVXAUSA-N 2 0 285.476 1.495 10 0 CDAERP C[C@@H]([NH2+]C[C@@H]1CCCCN1CCO)[C@@H]1C[C@H]1C1CC1 ZINC000527713113 281175172 /nfs/dbraw/zinc/17/51/72/281175172.db2.gz KISGUXBCHFUQBB-OEAJRASXSA-N 2 0 266.429 1.857 10 0 CDAERP CC1(C)CN(C(=O)[C@H]2[NH2+]CCCC2(C)C)CC[C@H]1[NH3+] ZINC000334934301 281215960 /nfs/dbraw/zinc/21/59/60/281215960.db2.gz YJNOFIMNNVHOBC-VXGBXAGGSA-N 2 0 267.417 1.350 10 0 CDAERP C[NH+](C)C1(CN[C@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CCOCC1 ZINC000375863037 282045761 /nfs/dbraw/zinc/04/57/61/282045761.db2.gz VGMQNVFLTUDDKD-HRCADAONSA-N 2 0 295.471 1.560 10 0 CDAERP CCC[C@@H](C(=O)N[C@H](CC(C)C)C[NH+](C)C)[NH+](C)C ZINC000152911174 289150119 /nfs/dbraw/zinc/15/01/19/289150119.db2.gz VAAFSUYFPLZSMQ-KGLIPLIRSA-N 2 0 271.449 1.809 10 0 CDAERP C[NH+]1CCC(C)(CNC(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000333888047 289873437 /nfs/dbraw/zinc/87/34/37/289873437.db2.gz XNIPVLHMHOAESI-CYBMUJFWSA-N 2 0 282.432 1.160 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)[C@@H]2CCC[C@@H]21 ZINC000423550458 290224205 /nfs/dbraw/zinc/22/42/05/290224205.db2.gz SVMZCPWCESVPBA-DZTUFKMZSA-N 3 0 277.456 1.837 10 0 CDAERP CC[N@@H+]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H](C)C1 ZINC000557527243 290350181 /nfs/dbraw/zinc/35/01/81/290350181.db2.gz UNRUJDVTBKGVDV-MJBXVCDLSA-N 2 0 267.417 1.269 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCCC[NH2+]Cc2cccnc2)CC[NH2+]1 ZINC000563106156 293276279 /nfs/dbraw/zinc/27/62/79/293276279.db2.gz YQBHXLTWMWZSRN-ZFWWWQNUSA-N 2 0 290.411 1.066 10 0 CDAERP O=C(NC1CC([NH+]2CCCCC2)C1)N[C@@H]1CCC[NH2+]C1 ZINC000564551865 293370220 /nfs/dbraw/zinc/37/02/20/293370220.db2.gz CQIUWXYEIHTJDT-IYXRBSQSSA-N 2 0 280.416 1.055 10 0 CDAERP CNC(=O)C1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000565093890 293519691 /nfs/dbraw/zinc/51/96/91/293519691.db2.gz SKOMMQKZGZUKHY-UHFFFAOYSA-N 2 0 287.407 1.290 10 0 CDAERP CCC([NH3+])(CC)CNC(=O)c1ccccc1CC[NH3+] ZINC000568148111 293956999 /nfs/dbraw/zinc/95/69/99/293956999.db2.gz KBLXMNBSWGPGKD-UHFFFAOYSA-N 2 0 263.385 1.435 10 0 CDAERP C[C@H]([NH3+])C1CC[NH+](Cc2cc(-c3cnn(C)c3)no2)CC1 ZINC000568392719 294027150 /nfs/dbraw/zinc/02/71/50/294027150.db2.gz ZGURSTFNSOOZNL-NSHDSACASA-N 2 0 289.383 1.634 10 0 CDAERP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CC1(O)Cc2ccccc2C1 ZINC000570709431 294293706 /nfs/dbraw/zinc/29/37/06/294293706.db2.gz XNUUMXAXYSWPEE-JKSUJKDBSA-N 2 0 274.408 1.766 10 0 CDAERP OCC1([NH2+]CC2CC2)CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC000570727101 294297488 /nfs/dbraw/zinc/29/74/88/294297488.db2.gz KSIUFCAIXVYDHV-INIZCTEOSA-N 2 0 296.455 1.772 10 0 CDAERP C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)[C@H]1CCC[NH2+]C1 ZINC000572464090 294626271 /nfs/dbraw/zinc/62/62/71/294626271.db2.gz GAMFWDNNUOLMJG-LXFSFDBISA-N 2 0 264.413 1.922 10 0 CDAERP COc1ccc([C@H](NCCC[NH3+])[C@@H]2CCC[NH2+]2)cc1 ZINC000423197192 295244820 /nfs/dbraw/zinc/24/48/20/295244820.db2.gz YHRKMFPYHOFOJU-GJZGRUSLSA-N 2 0 263.385 1.427 10 0 CDAERP [NH3+]C[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)C1CCCCC1 ZINC000262444290 295263641 /nfs/dbraw/zinc/26/36/41/295263641.db2.gz ORJXNNBVJFZHJL-FZKCQIBNSA-N 2 0 293.455 1.931 10 0 CDAERP [NH3+][C@H]1CCC[C@@H]1C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000178751992 295336764 /nfs/dbraw/zinc/33/67/64/295336764.db2.gz UGLKNGZIWRVZTA-GJZGRUSLSA-N 2 0 279.428 1.591 10 0 CDAERP [NH3+][C@H]1CCC[C@H]1C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000085375088 295338762 /nfs/dbraw/zinc/33/87/62/295338762.db2.gz LRGSXXKIQAFLHI-MJBXVCDLSA-N 2 0 265.401 1.201 10 0 CDAERP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cc1 ZINC000263140655 301741653 /nfs/dbraw/zinc/74/16/53/301741653.db2.gz CGUQFCYFZZYAIX-LTIDMASMSA-N 2 0 274.408 1.801 10 0 CDAERP O=C(NC1CC[NH2+]CC1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000334925632 303744983 /nfs/dbraw/zinc/74/49/83/303744983.db2.gz NYFIQHVTYCMOPW-HNNXBMFYSA-N 2 0 294.443 1.398 10 0 CDAERP Cc1ncc(C[NH2+]CCCN(C)C(=O)CC[NH+](C)C)s1 ZINC001670232711 1173665178 /nfs/dbraw/zinc/66/51/78/1173665178.db2.gz APSVFGMBDLMORQ-UHFFFAOYSA-N 2 0 298.456 1.341 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N(CC[NH+](C)C)Cc2ccco2)C1 ZINC000563558169 316331325 /nfs/dbraw/zinc/33/13/25/316331325.db2.gz SONGXVUZQXENEY-AWEZNQCLSA-N 2 0 293.411 1.512 10 0 CDAERP C[C@H](NC(=O)c1ccc(C[NH3+])cc1)[C@H]1CCC[NH2+]C1 ZINC000571918923 316940769 /nfs/dbraw/zinc/94/07/69/316940769.db2.gz RLSXZKWDDQXIAV-FZMZJTMJSA-N 2 0 261.369 1.263 10 0 CDAERP C[C@@H]1CCC[C@H](C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)[C@H]1C ZINC000575916915 317038061 /nfs/dbraw/zinc/03/80/61/317038061.db2.gz BEHSSRBZIPZMDT-YYIAUSFCSA-N 2 0 297.487 1.257 10 0 CDAERP CCC[C@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)C(C)(C)C ZINC000576227812 317100236 /nfs/dbraw/zinc/10/02/36/317100236.db2.gz BJEHWKQETDDSSC-CABCVRRESA-N 2 0 285.476 1.399 10 0 CDAERP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H]2CCCC23CC3)C1 ZINC000576362137 317127224 /nfs/dbraw/zinc/12/72/24/317127224.db2.gz UXGWEAGXYPSDAG-KGLIPLIRSA-N 2 0 279.428 1.496 10 0 CDAERP C[NH2+]CC1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000576516711 317153528 /nfs/dbraw/zinc/15/35/28/317153528.db2.gz RAQMQTANTWHKMV-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)[NH2+]CCc1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000581429042 324742603 /nfs/dbraw/zinc/74/26/03/324742603.db2.gz RLQHCYZNRLOSNY-UHFFFAOYSA-N 2 0 260.341 1.736 10 0 CDAERP CCCCCC[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001673898518 1173895601 /nfs/dbraw/zinc/89/56/01/1173895601.db2.gz QXGZAFYGOPZQTP-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC[C@@H](O)C[N@H+](C)C1CC1 ZINC000583020335 325089871 /nfs/dbraw/zinc/08/98/71/325089871.db2.gz VCRNEVTURZJVIO-IIAWOOMASA-N 2 0 283.460 1.294 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](NC(=O)CN2CC(C)(C)C2)C1 ZINC000583640512 325214194 /nfs/dbraw/zinc/21/41/94/325214194.db2.gz MVWMYRZGSUSKPT-CYBMUJFWSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@@H](CC[NH2+]CCF)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001699110321 1176096981 /nfs/dbraw/zinc/09/69/81/1176096981.db2.gz PTBYFECFOVZNFM-QWHCGFSZSA-N 2 0 273.396 1.315 10 0 CDAERP CCCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001271206887 1160312234 /nfs/dbraw/zinc/31/22/34/1160312234.db2.gz KESKHONGCHVAGD-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001280440866 1160486430 /nfs/dbraw/zinc/48/64/30/1160486430.db2.gz KZNLYLZJVJTJHB-RBSFLKMASA-N 2 0 281.444 1.707 10 0 CDAERP CCCC[N@H+](C)CC1CCN(C(=O)CC2([NH3+])CC2)CC1 ZINC000398169608 482244671 /nfs/dbraw/zinc/24/46/71/482244671.db2.gz KTGAMRMCEKXGDZ-UHFFFAOYSA-N 2 0 281.444 1.838 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000652291655 482459056 /nfs/dbraw/zinc/45/90/56/482459056.db2.gz BHNTVMDIQKAGNX-QWHCGFSZSA-N 2 0 290.411 1.285 10 0 CDAERP C[C@H]1C[C@@H](N(C)C(=O)CC[NH2+]C2CC2)CC[N@@H+]1C ZINC000655449215 482494889 /nfs/dbraw/zinc/49/48/89/482494889.db2.gz PKXDEPFDROSYHT-AAEUAGOBSA-N 2 0 253.390 1.070 10 0 CDAERP CN1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000671742432 482541665 /nfs/dbraw/zinc/54/16/65/482541665.db2.gz PDLDHXAMAAXZIX-XQLPTFJDSA-N 2 0 251.418 1.543 10 0 CDAERP C[NH+](C)C[C@H](NC(=O)C[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000054308674 482549938 /nfs/dbraw/zinc/54/99/38/482549938.db2.gz FCKFPRRZVDAOPO-HOCLYGCPSA-N 2 0 289.423 1.795 10 0 CDAERP COCC[N@H+](C)CCC[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000684369464 482777275 /nfs/dbraw/zinc/77/72/75/482777275.db2.gz PLVMPSBRLKNMEW-UONOGXRCSA-N 2 0 258.406 1.502 10 0 CDAERP CO[C@@H]1CCC[C@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC000684380420 482783336 /nfs/dbraw/zinc/78/33/36/482783336.db2.gz MYNFTFOXDADXTK-HRCADAONSA-N 2 0 284.444 1.771 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000684395783 482791098 /nfs/dbraw/zinc/79/10/98/482791098.db2.gz GEFYEBQUTYNKOF-HUUCEWRRSA-N 2 0 272.433 1.892 10 0 CDAERP CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000669403208 482886640 /nfs/dbraw/zinc/88/66/40/482886640.db2.gz OPYGCGJBVYIHCT-QWHCGFSZSA-N 2 0 270.421 1.095 10 0 CDAERP CC[NH2+]CC1CCN(C(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000669403364 482888184 /nfs/dbraw/zinc/88/81/84/482888184.db2.gz XDHIMJPNQYWHFE-AWEZNQCLSA-N 2 0 282.432 1.112 10 0 CDAERP COCCC[NH+]1CCC([NH2+][C@H]2COC3(CCC3)C2)CC1 ZINC000657866820 482906182 /nfs/dbraw/zinc/90/61/82/482906182.db2.gz NPGGKXGLGPVVAH-OAHLLOKOSA-N 2 0 282.428 1.789 10 0 CDAERP C[NH2+][C@H](C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000390740623 482922224 /nfs/dbraw/zinc/92/22/24/482922224.db2.gz LVPCZPRLVMVWJC-GDBMZVCRSA-N 2 0 289.423 1.623 10 0 CDAERP Cc1cc(C)n2c(C[NH2+][C@H]3CC34CC[NH2+]CC4)cnc2n1 ZINC000666952152 483016676 /nfs/dbraw/zinc/01/66/76/483016676.db2.gz HWUWLSVHVNWRML-AWEZNQCLSA-N 2 0 285.395 1.578 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666954273 483017580 /nfs/dbraw/zinc/01/75/80/483017580.db2.gz SVLSRFSAKCUMJX-INIZCTEOSA-N 3 0 297.406 1.807 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH2+]Cc3ccccc32)C1 ZINC000250570076 483018715 /nfs/dbraw/zinc/01/87/15/483018715.db2.gz DTUWXTHENAACOT-HIFRSBDPSA-N 2 0 273.380 1.084 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089453802 483078843 /nfs/dbraw/zinc/07/88/43/483078843.db2.gz DUFQYGNRZOVUKN-JSGCOSHPSA-N 2 0 267.417 1.350 10 0 CDAERP O=C(NC[C@H]1CCC[NH2+]1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000667148670 483110444 /nfs/dbraw/zinc/11/04/44/483110444.db2.gz MCOHJXWSDWINFX-LLVKDONJSA-N 2 0 286.339 1.141 10 0 CDAERP CCC[NH+]1CCC([NH2+][C@H]2CCN(C(=O)NCC)C2)CC1 ZINC000678773347 483161883 /nfs/dbraw/zinc/16/18/83/483161883.db2.gz XYEKYLGAEBXSNA-AWEZNQCLSA-N 2 0 282.432 1.254 10 0 CDAERP CN(CCC(=O)N[C@@H]1CCC[N@H+](C)C1)c1cc[nH+]cc1 ZINC000679409766 483360686 /nfs/dbraw/zinc/36/06/86/483360686.db2.gz QXSNUHFXGPJKTO-CYBMUJFWSA-N 2 0 276.384 1.118 10 0 CDAERP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667777082 483420479 /nfs/dbraw/zinc/42/04/79/483420479.db2.gz NJEVSTZNDBGHDN-CABCVRRESA-N 2 0 281.444 1.170 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667785161 483426298 /nfs/dbraw/zinc/42/62/98/483426298.db2.gz IKUGQZCVZYATKK-VNQPRFMTSA-N 2 0 281.444 1.170 10 0 CDAERP COC1(C[C@@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)CCC1 ZINC000683228091 483450981 /nfs/dbraw/zinc/45/09/81/483450981.db2.gz SJRMISCGMYZGLU-MRXNPFEDSA-N 2 0 297.487 1.951 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CO[C@@H](C2CC2)C1)CN1CC[NH+](C)CC1 ZINC000667851574 483459819 /nfs/dbraw/zinc/45/98/19/483459819.db2.gz SDAHUTRMZQIJMI-VNQPRFMTSA-N 2 0 281.444 1.027 10 0 CDAERP C[N@@H+]1CCC[C@H](N2CC[NH+](CC[C@H]3CCCCO3)CC2)C1 ZINC000680376888 483602408 /nfs/dbraw/zinc/60/24/08/483602408.db2.gz RKMXIYYZVWPTIQ-DLBZAZTESA-N 2 0 295.471 1.657 10 0 CDAERP CN(CC[NH2+]CCCC(C)(C)C)C(=O)C[NH+]1CCCC1 ZINC001691603093 1160715027 /nfs/dbraw/zinc/71/50/27/1160715027.db2.gz RDMGPFHMGJDCTB-UHFFFAOYSA-N 2 0 283.460 1.957 10 0 CDAERP CC(C)[NH2+]C[C@H]1CC[C@H](C[N@H+](C)[C@@H]2CCSC2)O1 ZINC000052453589 519725851 /nfs/dbraw/zinc/72/58/51/519725851.db2.gz CKLZDCJPLDTDIL-MGPQQGTHSA-N 2 0 272.458 1.969 10 0 CDAERP CC(C)[NH2+]Cc1cn(CC[N@H+](C)CC(C)(C)C)nn1 ZINC000052570123 519728776 /nfs/dbraw/zinc/72/87/76/519728776.db2.gz CZPPONNGPNOBKE-UHFFFAOYSA-N 2 0 267.421 1.754 10 0 CDAERP CC(C)C[NH2+]C[C@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000055075879 519745719 /nfs/dbraw/zinc/74/57/19/519745719.db2.gz XAJPLXAAWUURJL-HNNXBMFYSA-N 2 0 255.450 1.894 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000049227440 519793359 /nfs/dbraw/zinc/79/33/59/519793359.db2.gz CMFFUIPLDMITSA-CQSZACIVSA-N 2 0 278.400 1.853 10 0 CDAERP CCC[NH2+]CC1(C[N@@H+]2CCC[C@@H](O)C2)CCOCC1 ZINC000052197482 519909519 /nfs/dbraw/zinc/90/95/19/519909519.db2.gz GAFMWBAIVAUFOP-CQSZACIVSA-N 2 0 270.417 1.240 10 0 CDAERP CC(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001733351939 1161301136 /nfs/dbraw/zinc/30/11/36/1161301136.db2.gz PWGDDLYYSYSNQL-GJZGRUSLSA-N 2 0 281.444 1.565 10 0 CDAERP CCC[C@H](C)[N@H+](C)CCn1cc(C[NH2+]C(C)C)nn1 ZINC000052480665 521034859 /nfs/dbraw/zinc/03/48/59/521034859.db2.gz JVAJDDXDISZYIT-ZDUSSCGKSA-N 2 0 267.421 1.897 10 0 CDAERP C[C@@H](C[NH3+])NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000417937723 533803935 /nfs/dbraw/zinc/80/39/35/533803935.db2.gz IRTWAGGMBFJONX-IACUBPJLSA-N 2 0 276.384 1.078 10 0 CDAERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC2CCC(O)CC2)C1 ZINC001771779374 1161956837 /nfs/dbraw/zinc/95/68/37/1161956837.db2.gz FBFAMAUEFHVPJW-OFLPRAFFSA-N 2 0 298.471 1.970 10 0 CDAERP CC(C)(C)[NH2+]C[C@H]1CC[C@H](C[NH+]2CCN(C3CC3)CC2)O1 ZINC000052371405 518762223 /nfs/dbraw/zinc/76/22/23/518762223.db2.gz JVUCWMGSTDJABJ-HZPDHXFCSA-N 2 0 295.471 1.702 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)CC1CCC([NH3+])CC1 ZINC000055138064 519334587 /nfs/dbraw/zinc/33/45/87/519334587.db2.gz IKNJBXYDJVKUSK-YMAMQOFZSA-N 2 0 283.460 1.987 10 0 CDAERP CC(C)CCOCC[NH+]1CCN(CCC[NH3+])CC1 ZINC000049265198 519666042 /nfs/dbraw/zinc/66/60/42/519666042.db2.gz ORGVHINSPVOJLQ-UHFFFAOYSA-N 2 0 257.422 1.016 10 0 CDAERP CC(C)OCCN1CCC[N@H+](CCCCC[NH3+])CC1 ZINC000049259262 519765735 /nfs/dbraw/zinc/76/57/35/519765735.db2.gz QGBMDGVGDHWKME-UHFFFAOYSA-N 2 0 271.449 1.548 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)C[C@@H]1CCCC[NH2+]1 ZINC000049560237 519775267 /nfs/dbraw/zinc/77/52/67/519775267.db2.gz LSWJDPPVGHJBGB-KBPBESRZSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055089804 519775467 /nfs/dbraw/zinc/77/54/67/519775467.db2.gz PTQWMEBKMVFEGO-MJBXVCDLSA-N 2 0 269.433 1.596 10 0 CDAERP CCC[NH+]1CCN(C(=O)[C@H]2[C@H](C)CCC[C@@H]2[NH3+])CC1 ZINC000055124585 519856419 /nfs/dbraw/zinc/85/64/19/519856419.db2.gz IEAXZNXIPVREPS-RDBSUJKOSA-N 2 0 267.417 1.304 10 0 CDAERP CCCC1(C(=O)N2CCC[C@H]2C[NH+](C)C)CC[NH2+]CC1 ZINC000062850430 519887540 /nfs/dbraw/zinc/88/75/40/519887540.db2.gz NAJJRADROBKNJL-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)N(CC[NH+](C)C)CC(C)C ZINC000061296578 519903813 /nfs/dbraw/zinc/90/38/13/519903813.db2.gz XVGWGBBCVOCMNJ-UHFFFAOYSA-N 2 0 257.422 1.421 10 0 CDAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)Cn1ccnc1 ZINC000054629516 519910979 /nfs/dbraw/zinc/91/09/79/519910979.db2.gz BMGLUZATHHNBBE-AVOUXACISA-N 2 0 262.401 1.877 10 0 CDAERP CC[NH2+]CC1(C[N@H+](C)C2CCOCC2)CCOCC1 ZINC000052181918 519911861 /nfs/dbraw/zinc/91/18/61/519911861.db2.gz QAOLKYZQLXBIQN-UHFFFAOYSA-N 2 0 270.417 1.504 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)NCCC[NH+]1CCCCC1 ZINC000061229006 519934032 /nfs/dbraw/zinc/93/40/32/519934032.db2.gz SWTJTVSXPLRDRF-CYBMUJFWSA-N 2 0 255.406 1.224 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000061265992 519959136 /nfs/dbraw/zinc/95/91/36/519959136.db2.gz NVKKJJCHWKSTST-ZDUSSCGKSA-N 2 0 269.433 1.565 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)C[C@@H]2CCCCO2)O1 ZINC000052507618 519977013 /nfs/dbraw/zinc/97/70/13/519977013.db2.gz PMDOWUBYCOGJFM-ILXRZTDVSA-N 2 0 270.417 1.644 10 0 CDAERP CC[NH2+]Cc1cnc(N2CCC[N@H+](C)CC2)s1 ZINC000054899092 520015488 /nfs/dbraw/zinc/01/54/88/520015488.db2.gz KJTVAHFBBOLXHI-UHFFFAOYSA-N 2 0 254.403 1.395 10 0 CDAERP CC[NH2+]Cc1occc1C[N@H+](CCOC)[C@@H](C)COC ZINC000052572346 520031376 /nfs/dbraw/zinc/03/13/76/520031376.db2.gz CJJNTIZMTCSDQP-ZDUSSCGKSA-N 2 0 284.400 1.872 10 0 CDAERP CCC[NH2+][C@@](C)(C[C@@H](C)N1CC[N@H+](C)C(C)(C)C1)C(N)=O ZINC000068646841 520042331 /nfs/dbraw/zinc/04/23/31/520042331.db2.gz KVZMQQMBZXNGQJ-CJNGLKHVSA-N 2 0 298.475 1.035 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000061270792 520067428 /nfs/dbraw/zinc/06/74/28/520067428.db2.gz JTUSEJVLHIVLTN-GOEBONIOSA-N 2 0 289.423 1.765 10 0 CDAERP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N1CC[C@H]([NH+](C)C)C1 ZINC000062965125 520122363 /nfs/dbraw/zinc/12/23/63/520122363.db2.gz DOGQPSAWUVOLBC-XQLPTFJDSA-N 2 0 253.434 1.789 10 0 CDAERP CCO[C@@H](C[NH3+])CCN1CC[NH+]([C@H](C)CC)CC1 ZINC000062741263 520309861 /nfs/dbraw/zinc/30/98/61/520309861.db2.gz KBIXCFXJDWDCCC-ZIAGYGMSSA-N 2 0 257.422 1.156 10 0 CDAERP CC[NH+](CC)CCCN1CC[C@@H](C[NH2+]C2CC2)C1 ZINC000053012704 520610131 /nfs/dbraw/zinc/61/01/31/520610131.db2.gz GPVOARWGGXOKEO-AWEZNQCLSA-N 2 0 253.434 1.792 10 0 CDAERP CCOC(=O)N1CCC([N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)CC1 ZINC000054627741 520925263 /nfs/dbraw/zinc/92/52/63/520925263.db2.gz IXHPRJJARVQTPF-QXMXGUDHSA-N 2 0 281.400 1.561 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000236852448 521547464 /nfs/dbraw/zinc/54/74/64/521547464.db2.gz XADHJIGAOKEAAR-KBPBESRZSA-N 2 0 267.417 1.352 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000055162829 521550008 /nfs/dbraw/zinc/55/00/08/521550008.db2.gz BUESEWWJPFOLMC-HUUCEWRRSA-N 2 0 281.444 1.600 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@H]2[C@H](C)CCC[C@@H]2[NH3+])CC1 ZINC000055140066 521551006 /nfs/dbraw/zinc/55/10/06/521551006.db2.gz DONPGZZTVCCOMI-SNPRPXQTSA-N 2 0 281.444 1.598 10 0 CDAERP CCOC1CC[NH+](C[C@@H]2CC[C@H](C[NH2+]C3CC3)O2)CC1 ZINC000052484091 521655924 /nfs/dbraw/zinc/65/59/24/521655924.db2.gz PXYKSDBVDWMLNV-CVEARBPZSA-N 2 0 282.428 1.787 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)c1c[nH+]c(NN)c(Cl)c1 ZINC000051117369 521656627 /nfs/dbraw/zinc/65/66/27/521656627.db2.gz PPZJPYQBHLYEJB-UHFFFAOYSA-N 2 0 299.806 1.434 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)c2coc(C[NH3+])c2)[C@H](C)C1 ZINC000188234059 521719959 /nfs/dbraw/zinc/71/99/59/521719959.db2.gz KOFXVYMBUIRBFA-RISCZKNCSA-N 2 0 279.384 1.541 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)CCC1CCC([NH3+])CC1 ZINC000061656212 521827914 /nfs/dbraw/zinc/82/79/14/521827914.db2.gz VYPDZPADXJKEHR-NRXISQOPSA-N 2 0 281.444 1.837 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1CC(=O)Nc1cccc(C[NH3+])c1 ZINC000061642610 521835051 /nfs/dbraw/zinc/83/50/51/521835051.db2.gz QOKBQCMAMIEFBX-HNNXBMFYSA-N 2 0 290.411 1.110 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1CCOc1ccc(C[NH3+])cc1 ZINC000061642490 521837306 /nfs/dbraw/zinc/83/73/06/521837306.db2.gz VAXYBXCEFOINBJ-HNNXBMFYSA-N 2 0 277.412 1.550 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1CCC[NH2+]C1CCCC1 ZINC000061655074 521837748 /nfs/dbraw/zinc/83/77/48/521837748.db2.gz IYJMVWLRMJFLKV-HNNXBMFYSA-N 2 0 253.434 1.935 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(CC[C@](C)([NH2+]C(C)C)C(N)=O)CC1 ZINC000055070594 522121830 /nfs/dbraw/zinc/12/18/30/522121830.db2.gz IAPWFVAGGACEPV-ZBFHGGJFSA-N 2 0 298.475 1.035 10 0 CDAERP C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061654537 522134981 /nfs/dbraw/zinc/13/49/81/522134981.db2.gz JSVGAQYOWLUGBY-MRXNPFEDSA-N 2 0 261.413 1.932 10 0 CDAERP C[NH2+]Cc1cn(CC[N@H+](C)C2CCCCCC2)nn1 ZINC000052482063 522143034 /nfs/dbraw/zinc/14/30/34/522143034.db2.gz GTCSQKSUUIOFSN-UHFFFAOYSA-N 2 0 265.405 1.652 10 0 CDAERP CC[C@@H]([NH3+])[C@@H](c1cnn(C)c1)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055063676 522651593 /nfs/dbraw/zinc/65/15/93/522651593.db2.gz JOMNYKUUPYRESQ-NUEKZKHPSA-N 2 0 293.459 1.615 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)C[C@@H]2CCCC[NH2+]2)CC1 ZINC000055082462 523948446 /nfs/dbraw/zinc/94/84/46/523948446.db2.gz WAHOUCMZFDCBIA-KBPBESRZSA-N 2 0 267.417 1.461 10 0 CDAERP COCC[NH2+]Cc1ccc(OC)cc1OCC[NH+](C)C ZINC000062733267 523953483 /nfs/dbraw/zinc/95/34/83/523953483.db2.gz IIVDGGSKSHRLQW-UHFFFAOYSA-N 2 0 282.384 1.372 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C[C@H]2CCC[C@@H]2[NH2+]C)CC1 ZINC000055072387 523955603 /nfs/dbraw/zinc/95/56/03/523955603.db2.gz FOLJPPUCDRSWKM-ZNMIVQPWSA-N 2 0 253.434 1.791 10 0 CDAERP CC[C@H](C)[NH+]1CCN([C@@]2(C[NH3+])CC[N@@H+](C(C)C)C2)CC1 ZINC000055064459 523958138 /nfs/dbraw/zinc/95/81/38/523958138.db2.gz QNMRKERDYUZBGE-JKSUJKDBSA-N 3 0 282.476 1.214 10 0 CDAERP C[N@H+]1[C@@H]2CC[C@H]1CC(C[NH3+])(N1Cc3ccccc3C1)C2 ZINC000050910712 524031406 /nfs/dbraw/zinc/03/14/06/524031406.db2.gz URKLWDBYLAVTCE-SJPCQFCGSA-N 2 0 271.408 1.956 10 0 CDAERP C[NH+](C)C1CC[NH+](CCC[C@H]2CCCC[NH2+]2)CC1 ZINC000050952742 524039698 /nfs/dbraw/zinc/03/96/98/524039698.db2.gz FZGKXMWXWOALCR-CQSZACIVSA-N 3 0 253.434 1.935 10 0 CDAERP C[NH+](C)CCCCNC(=O)[C@H]1CCC[C@H](C[NH3+])C1 ZINC000055162582 524052387 /nfs/dbraw/zinc/05/23/87/524052387.db2.gz XQNSMGLBIUDZSS-STQMWFEESA-N 2 0 255.406 1.210 10 0 CDAERP C[C@H](CCC[NH2+]C(C)(C)C)[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061654961 524142614 /nfs/dbraw/zinc/14/26/14/524142614.db2.gz ROIWLUUIHAROGN-MRXNPFEDSA-N 3 0 298.519 1.722 10 0 CDAERP C[C@H](CN1CCOCC1)[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000052206009 524357271 /nfs/dbraw/zinc/35/72/71/524357271.db2.gz BGGUIFJWBSRHCD-CABCVRRESA-N 2 0 269.433 1.171 10 0 CDAERP C[C@@H]1CCC[C@H]([N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000063178637 524392019 /nfs/dbraw/zinc/39/20/19/524392019.db2.gz NSWBKTIQLGOFHM-RDBSUJKOSA-N 2 0 267.417 1.352 10 0 CDAERP C[C@@H](C[NH+]1CCCC1)NC(=O)[C@@H]1[C@@H](C)CCC[C@@H]1[NH3+] ZINC000055140725 524589822 /nfs/dbraw/zinc/58/98/22/524589822.db2.gz ZGXWWQGUURHBEP-XDQVBPFNSA-N 2 0 267.417 1.350 10 0 CDAERP C[C@@H](C[NH+]1CCCC1)NC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000061612844 524590478 /nfs/dbraw/zinc/59/04/78/524590478.db2.gz WHUOTXIOKKOGCK-ZFWWWQNUSA-N 2 0 275.396 1.329 10 0 CDAERP C[C@@H]1CC[C@@H]([NH3+])C[C@@H]1C(=O)NCC(C)(C)C[NH+](C)C ZINC000055125306 524601706 /nfs/dbraw/zinc/60/17/06/524601706.db2.gz RPUZDFFEYSBIFC-UPJWGTAASA-N 2 0 269.433 1.454 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cccc(CC[NH3+])c1 ZINC000053662576 524604242 /nfs/dbraw/zinc/60/42/42/524604242.db2.gz TXJLQAFLAAHQLT-AWEZNQCLSA-N 2 0 289.423 1.792 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@H]1CCC[C@@H](C)[NH2+]1 ZINC000049502506 524604378 /nfs/dbraw/zinc/60/43/78/524604378.db2.gz PHAZQVKNQZCXBF-HZSPNIEDSA-N 2 0 267.417 1.508 10 0 CDAERP C[C@@H]1CC[C@H](C)[C@@](C[NH3+])(N2CCN(CC[NH+](C)C)CC2)C1 ZINC000068629322 524658599 /nfs/dbraw/zinc/65/85/99/524658599.db2.gz PVBWPKUPRDZPPN-IXDOHACOSA-N 2 0 296.503 1.319 10 0 CDAERP C[C@@H]([NH3+])[C@H](c1ccco1)N1CCC[C@@H]1C[NH+](C)C ZINC000061642089 525017741 /nfs/dbraw/zinc/01/77/41/525017741.db2.gz ITKVUUHXKQONBR-YRGRVCCFSA-N 2 0 251.374 1.694 10 0 CDAERP COc1cccc(N2CC[NH+]([C@H](C)C[C@@H](C)[NH3+])CC2)c1 ZINC000068654190 526157681 /nfs/dbraw/zinc/15/76/81/526157681.db2.gz UYPJDCMLRKJWSQ-ZIAGYGMSSA-N 2 0 277.412 1.943 10 0 CDAERP [NH3+]C1CCC(CCC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]23)CC1 ZINC000055139293 527139223 /nfs/dbraw/zinc/13/92/23/527139223.db2.gz IEGTTXYYTVYNIB-WUCCLRPBSA-N 2 0 279.428 1.637 10 0 CDAERP [NH3+]CC1CCC(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000055163038 527165046 /nfs/dbraw/zinc/16/50/46/527165046.db2.gz SZCXCLKYVRPUQP-WUCCLRPBSA-N 2 0 279.428 1.495 10 0 CDAERP [NH3+]CC[C@@H](c1ccccc1)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000062978174 527190385 /nfs/dbraw/zinc/19/03/85/527190385.db2.gz RYLKVAOTSFYCHT-IRXDYDNUSA-N 2 0 289.423 1.483 10 0 CDAERP [NH3+]Cc1cc(CN2CC[C@@H]([NH+]3CCCC3)C2)ccn1 ZINC000068750588 527246760 /nfs/dbraw/zinc/24/67/60/527246760.db2.gz GDDRODPGAJSTFK-OAHLLOKOSA-N 2 0 260.385 1.210 10 0 CDAERP [NH3+][C@@H](CN1CCC(C[NH+]2CCCC2)CC1)C1CC1 ZINC000069075189 527330553 /nfs/dbraw/zinc/33/05/53/527330553.db2.gz SYVCTLCGYLMDKL-HNNXBMFYSA-N 2 0 251.418 1.532 10 0 CDAERP [NH3+][C@H]1CCCC[C@@H]1CC(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC000055123540 527396468 /nfs/dbraw/zinc/39/64/68/527396468.db2.gz XXFGJZPQHYRZBH-HZSPNIEDSA-N 2 0 265.401 1.104 10 0 CDAERP [NH3+][C@H]1CCC[C@H](CC(=O)NCC[NH+]2CCCC2)C1 ZINC000055131683 527406554 /nfs/dbraw/zinc/40/65/54/527406554.db2.gz NQFYOGMGJLPHOH-STQMWFEESA-N 2 0 253.390 1.106 10 0 CDAERP OC1(C[N@@H+]2CCC[C@H]2C2CCCC2)CC[NH2+]CC1 ZINC000051016371 527506968 /nfs/dbraw/zinc/50/69/68/527506968.db2.gz MDBUMXIMMREJEM-AWEZNQCLSA-N 2 0 252.402 1.756 10 0 CDAERP O[C@@H]1CCCC[C@@H]1[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000119288398 527668770 /nfs/dbraw/zinc/66/87/70/527668770.db2.gz RRBGKQCEFNRKRB-QLFBSQMISA-N 2 0 252.402 1.708 10 0 CDAERP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)CCO)CC1 ZINC000305740057 528249210 /nfs/dbraw/zinc/24/92/10/528249210.db2.gz YFLKCZDGKSIIAJ-UHFFFAOYSA-N 2 0 291.439 1.643 10 0 CDAERP CC(C)n1ccc(C[C@@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)n1 ZINC000414827620 535092310 /nfs/dbraw/zinc/09/23/10/535092310.db2.gz HMZXGLAGJOZILE-ZIAGYGMSSA-N 2 0 264.417 1.984 10 0 CDAERP C[NH+](C)CCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000245656993 535884872 /nfs/dbraw/zinc/88/48/72/535884872.db2.gz DYTACVPVNFWIKT-HUUCEWRRSA-N 2 0 290.411 1.293 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CC1([C@@H](O)C(C)C)CC1 ZINC000423013822 536593748 /nfs/dbraw/zinc/59/37/48/536593748.db2.gz GWRARPOFCNMAAB-OLZOCXBDSA-N 2 0 258.406 1.127 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](C)N(C)c1ccccc1 ZINC000422870604 536596355 /nfs/dbraw/zinc/59/63/55/536596355.db2.gz ZAGBNWOQPDWGBD-LSDHHAIUSA-N 2 0 279.428 1.855 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000423092461 536850660 /nfs/dbraw/zinc/85/06/60/536850660.db2.gz BYWCVNFWSOIWJS-MNOVXSKESA-N 2 0 250.333 1.765 10 0 CDAERP COC[C@H](C)C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000668488893 538434453 /nfs/dbraw/zinc/43/44/53/538434453.db2.gz HAXXOJIYFVXTPP-PBHICJAKSA-N 2 0 292.423 1.625 10 0 CDAERP [NH3+]CCCCCCCNc1ccnn1C1C[NH2+]C1 ZINC000725258489 538452916 /nfs/dbraw/zinc/45/29/16/538452916.db2.gz QLXHWLBZBBBGEJ-UHFFFAOYSA-N 2 0 251.378 1.349 10 0 CDAERP CC(C)[C@@H](CNc1ccnn1C1C[NH2+]C1)[C@@H](C)[NH3+] ZINC000725258626 538452945 /nfs/dbraw/zinc/45/29/45/538452945.db2.gz VIMDRCDIWODUIC-ZYHUDNBSSA-N 2 0 251.378 1.059 10 0 CDAERP CCCCCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000732276845 575085820 /nfs/dbraw/zinc/08/58/20/575085820.db2.gz TVIWNCYXWQVVQQ-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP CCOC(=O)[C@H]1C[NH2+]CC12CC(C)(C)[NH2+]C(C)(C)C2 ZINC000757184536 577034347 /nfs/dbraw/zinc/03/43/47/577034347.db2.gz LIQHQZYCOKXKCF-LLVKDONJSA-N 2 0 268.401 1.696 10 0 CDAERP CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H]1C ZINC001689318346 1175144245 /nfs/dbraw/zinc/14/42/45/1175144245.db2.gz FVKBEQCIKXISBL-OLZOCXBDSA-N 2 0 269.433 1.563 10 0 CDAERP CC[C@@H](C)C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001690014934 1175344992 /nfs/dbraw/zinc/34/49/92/1175344992.db2.gz VDXBMRBIZCTVKG-HUUCEWRRSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C(=O)NCC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925510163 617409625 /nfs/dbraw/zinc/40/96/25/617409625.db2.gz SZKUCNASDNNASS-NWDGAFQWSA-N 2 0 255.406 1.254 10 0 CDAERP [NH3+][C@H]1C[C@H]([NH2+]CC2(CCO)CCCC2)C12CCC2 ZINC000925526047 617448636 /nfs/dbraw/zinc/44/86/36/617448636.db2.gz HDSVREPQQKDZGD-STQMWFEESA-N 2 0 252.402 1.789 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC(C)(C)[C@]1(O)CCCOC1 ZINC000926722454 617470148 /nfs/dbraw/zinc/47/01/48/617470148.db2.gz SCBSREKDWFDYLF-MYSGWJLTSA-N 2 0 296.455 1.484 10 0 CDAERP C[C@@H]1CCC[N@@H+]1CCN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925624356 617571018 /nfs/dbraw/zinc/57/10/18/617571018.db2.gz WENVKFMRUTXPOO-MGPQQGTHSA-N 2 0 253.434 1.966 10 0 CDAERP Cc1cc(CC[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)nn1C ZINC000925836023 617865485 /nfs/dbraw/zinc/86/54/85/617865485.db2.gz ZEMHWEADBMCSGN-TZMCWYRMSA-N 2 0 264.417 1.767 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H](NC[C@H]2CCC[N@@H+]2CCCO)C1 ZINC000925679526 617650189 /nfs/dbraw/zinc/65/01/89/617650189.db2.gz JEOXAYWPEZDRSP-RBSFLKMASA-N 2 0 283.460 1.329 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC[C@@H]1CC(C)(C)CO1 ZINC000925775415 617665715 /nfs/dbraw/zinc/66/57/15/617665715.db2.gz QEQXHLUPUUGBDH-RFQIPJPRSA-N 2 0 270.417 1.534 10 0 CDAERP CC[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)C(=O)NC ZINC000925685217 617673215 /nfs/dbraw/zinc/67/32/15/617673215.db2.gz KXLPSURPWQWIMT-ZIAGYGMSSA-N 2 0 263.385 1.581 10 0 CDAERP COC[C@H](N[C@H](C)[C@@H]1CCC[NH2+]1)[C@@H]1CCCOC1 ZINC000925781414 617692289 /nfs/dbraw/zinc/69/22/89/617692289.db2.gz YLXLDNJIFCLZEV-MQYQWHSLSA-N 2 0 256.390 1.158 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925783046 617700365 /nfs/dbraw/zinc/70/03/65/617700365.db2.gz BQUAGSRWFHHXSR-XHJNMGKDSA-N 2 0 251.418 1.208 10 0 CDAERP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(F)cn1 ZINC000925814886 617766776 /nfs/dbraw/zinc/76/67/76/617766776.db2.gz MRAJHJSTSYKOJH-LLVKDONJSA-N 2 0 266.364 1.294 10 0 CDAERP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925816070 617771637 /nfs/dbraw/zinc/77/16/37/617771637.db2.gz DFHIMDVITCKKHC-HOCLYGCPSA-N 3 0 282.476 1.310 10 0 CDAERP COC[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C1CCOCC1 ZINC000925707832 617797555 /nfs/dbraw/zinc/79/75/55/617797555.db2.gz PNAZDLBEKBWUIL-VNAATALASA-N 2 0 280.412 1.014 10 0 CDAERP C(N[C@H]1CC[NH2+]C12CCC2)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000925715576 617832143 /nfs/dbraw/zinc/83/21/43/617832143.db2.gz FBRSDALHZBDLAT-CVEARBPZSA-N 2 0 277.456 1.983 10 0 CDAERP Cc1cc(CC[NH2+][C@H]2CCCCC[C@H]2[NH3+])nn1C ZINC000925833847 617859766 /nfs/dbraw/zinc/85/97/66/617859766.db2.gz KVKDLHQFDKSDLJ-KGLIPLIRSA-N 2 0 250.390 1.521 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]CCN2CCc3ccccc32)C12CCC2 ZINC000925838084 617868930 /nfs/dbraw/zinc/86/89/30/617868930.db2.gz VNFLQQMJRYPULT-CVEARBPZSA-N 2 0 271.408 1.909 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)C1CCOCC1 ZINC000925849417 617886686 /nfs/dbraw/zinc/88/66/86/617886686.db2.gz CQODBMQJOCVZGT-JSGCOSHPSA-N 2 0 296.411 1.076 10 0 CDAERP COC(=O)C1=CC[C@H]([NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925724192 617900328 /nfs/dbraw/zinc/90/03/28/617900328.db2.gz WXQOMYJPAFEGPJ-TUAOUCFPSA-N 2 0 250.342 1.108 10 0 CDAERP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+][C@@H]1CCS[C@H](C)C1 ZINC000925861461 617901500 /nfs/dbraw/zinc/90/15/00/617901500.db2.gz PXVHTWZDLRHMQV-NZEXEKPDSA-N 2 0 258.431 1.612 10 0 CDAERP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccnc(-c2ccccn2)n1 ZINC000925762746 618129988 /nfs/dbraw/zinc/12/99/88/618129988.db2.gz NSQOVILWEDCPHV-OCCSQVGLSA-N 2 0 283.379 1.756 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC000925504162 618163500 /nfs/dbraw/zinc/16/35/00/618163500.db2.gz MKRBFSXBDQWCQC-VXGBXAGGSA-N 2 0 253.390 1.008 10 0 CDAERP C[C@H](CN1CCCC1=O)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925504930 618173422 /nfs/dbraw/zinc/17/34/22/618173422.db2.gz MXFDTKAYCQSNIM-FVQBIDKESA-N 2 0 293.455 1.755 10 0 CDAERP C[C@H](C[NH2+]C1CC2(C1)CO[C@H](C)C2)N1CC[NH+](C)CC1 ZINC000924963963 618459787 /nfs/dbraw/zinc/45/97/87/618459787.db2.gz HVRAVYVDYBALFK-WXLSXGNJSA-N 2 0 281.444 1.170 10 0 CDAERP C[C@H]([NH2+]C[C@H]1CCCC[C@H]1O)C1CC[NH+](C)CC1 ZINC000251563957 620820274 /nfs/dbraw/zinc/82/02/74/620820274.db2.gz MNDQZMPJAMLEGL-NWANDNLSSA-N 2 0 254.418 1.857 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000896112683 619987812 /nfs/dbraw/zinc/98/78/12/619987812.db2.gz WCQIHWIXYVIBRD-STQMWFEESA-N 2 0 267.417 1.412 10 0 CDAERP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902839171 625492434 /nfs/dbraw/zinc/49/24/34/625492434.db2.gz NRAJIQQFBJMTRE-OVYBAWALSA-N 2 0 296.455 1.746 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC000925322298 621534472 /nfs/dbraw/zinc/53/44/72/621534472.db2.gz PBJHPGNPVCNZLG-DZGCQCFKSA-N 2 0 296.459 1.595 10 0 CDAERP CC(C)[C@@H](C[NH2+][C@@H](C)C(C)(C)CO)N1CC[NH+](C)CC1 ZINC000924631709 621611036 /nfs/dbraw/zinc/61/10/36/621611036.db2.gz OJFQUZYDAKYOGS-LSDHHAIUSA-N 2 0 285.476 1.255 10 0 CDAERP C[C@H](C(=O)N1CC([NH+]2CCCC2)C1)[NH+]1CCCCCC1 ZINC000898608787 621816864 /nfs/dbraw/zinc/81/68/64/621816864.db2.gz FPLIFCYWMIGAJR-CQSZACIVSA-N 2 0 279.428 1.558 10 0 CDAERP CC(C)[C@H](CNC(=[NH2+])N[C@H](C)C1CC1)N1CC[NH+](C)CC1 ZINC000899266914 622127404 /nfs/dbraw/zinc/12/74/04/622127404.db2.gz ZAWCDTAGTKNLPB-HIFRSBDPSA-N 2 0 295.475 1.171 10 0 CDAERP CCN1CC[NH+](CCCCNC(=[NH2+])N[C@H](C)C2CC2)CC1 ZINC000899266690 622130767 /nfs/dbraw/zinc/13/07/67/622130767.db2.gz UKBLKUZFCBLBEG-CQSZACIVSA-N 2 0 295.475 1.317 10 0 CDAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C12CC[NH+](CC1)C2 ZINC000900519847 623182844 /nfs/dbraw/zinc/18/28/44/623182844.db2.gz MQFWMVXTUNSWGR-UHFFFAOYSA-N 2 0 283.335 1.302 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)C1CCCC1 ZINC000900589523 623266275 /nfs/dbraw/zinc/26/62/75/623266275.db2.gz XPMWZMCNDFTPOW-HOTGVXAUSA-N 2 0 293.455 1.994 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000900884985 623606602 /nfs/dbraw/zinc/60/66/02/623606602.db2.gz DSYAMJCQNKUBEC-ZDUSSCGKSA-N 2 0 265.401 1.025 10 0 CDAERP C([NH2+][C@H]1CCO[C@@]12CCOC2)[C@H]1CCN1C1CCCCC1 ZINC000903205378 625898323 /nfs/dbraw/zinc/89/83/23/625898323.db2.gz HQQMUZFXGQHPLC-IXDOHACOSA-N 2 0 294.439 1.931 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCNC(=O)[C@@H]2c2ccccc2)C1 ZINC000903433062 625990701 /nfs/dbraw/zinc/99/07/01/625990701.db2.gz SOOSRTNAUILYJV-CFVMTHIKSA-N 2 0 273.380 1.287 10 0 CDAERP COC[C@@H](C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1)C(C)C ZINC000903459761 625995518 /nfs/dbraw/zinc/99/55/18/625995518.db2.gz ZEHXXFXYIPTEPU-HIFRSBDPSA-N 2 0 295.431 1.292 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CC[NH+](CCC(C)(C)C)CC1 ZINC000903442657 625997056 /nfs/dbraw/zinc/99/70/56/625997056.db2.gz WNJDLFDEASDPEB-CABCVRRESA-N 2 0 267.461 1.896 10 0 CDAERP Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903446535 625999281 /nfs/dbraw/zinc/99/92/81/625999281.db2.gz YBJBJHLCBRITDO-IPYPFGDCSA-N 2 0 262.401 1.993 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CCN(Cc2cnns2)C1 ZINC000903476108 626004893 /nfs/dbraw/zinc/00/48/93/626004893.db2.gz NNZLOVITVYVLKY-GFCCVEGCSA-N 2 0 254.403 1.735 10 0 CDAERP Cc1nc([C@H]2CC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)no1 ZINC000903490815 626010590 /nfs/dbraw/zinc/01/05/90/626010590.db2.gz JIAJPFJJFYJAFY-RYUDHWBXSA-N 2 0 250.346 1.167 10 0 CDAERP C[C@@H](C(=O)N(C)c1ccccc1)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903494357 626011328 /nfs/dbraw/zinc/01/13/28/626011328.db2.gz DQCTVRLOVHKFBM-QLFBSQMISA-N 2 0 289.423 1.955 10 0 CDAERP C=C/C=C/CC[N@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903494886 626011337 /nfs/dbraw/zinc/01/13/37/626011337.db2.gz OWZVCQOPPXIDSL-UVDPRHOXSA-N 2 0 264.369 1.331 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)Nc2ccc(F)cc2F)C[C@H]1CC[NH3+] ZINC000903495153 626011777 /nfs/dbraw/zinc/01/17/77/626011777.db2.gz XMQSZZJSOYJTAL-GHMZBOCLSA-N 2 0 297.349 1.820 10 0 CDAERP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000903769154 626086236 /nfs/dbraw/zinc/08/62/36/626086236.db2.gz YRVYHQLVEANWAP-IXDOHACOSA-N 2 0 294.439 1.789 10 0 CDAERP C([C@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1CCCSC[C@@H]1C1CC1 ZINC000903827491 626105422 /nfs/dbraw/zinc/10/54/22/626105422.db2.gz ULCBRVSTXXIYKP-ZIAGYGMSSA-N 2 0 282.453 1.582 10 0 CDAERP C([C@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1CCCSC[C@H]1C1CC1 ZINC000903827489 626105640 /nfs/dbraw/zinc/10/56/40/626105640.db2.gz ULCBRVSTXXIYKP-KGLIPLIRSA-N 2 0 282.453 1.582 10 0 CDAERP CC[N@H+](C[C@H](C[NH3+])Cc1cnn(C)c1C)CC1CC1 ZINC000903891525 626124694 /nfs/dbraw/zinc/12/46/94/626124694.db2.gz BPWGFOFQJKJSNB-AWEZNQCLSA-N 2 0 264.417 1.578 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@H+](C)C[C@@H]2CCCOC2)cnn1C ZINC000903890512 626125082 /nfs/dbraw/zinc/12/50/82/626125082.db2.gz DCXQKVLBTLPBED-LSDHHAIUSA-N 2 0 294.443 1.204 10 0 CDAERP CC(C)[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)CC1CC1 ZINC000903885595 626132727 /nfs/dbraw/zinc/13/27/27/626132727.db2.gz MPEICSAFOACEAR-CQSZACIVSA-N 2 0 277.416 1.823 10 0 CDAERP CC[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)CC(C)C ZINC000903887091 626133943 /nfs/dbraw/zinc/13/39/43/626133943.db2.gz YOWGVYCBBLLJPZ-ZDUSSCGKSA-N 2 0 265.405 1.681 10 0 CDAERP C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903892657 626134776 /nfs/dbraw/zinc/13/47/76/626134776.db2.gz KXORFMUEWGUKLS-WSOGJNRSSA-N 2 0 288.457 1.270 10 0 CDAERP C[C@@H](CN1CCOCC1)[N@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903911023 626144281 /nfs/dbraw/zinc/14/42/81/626144281.db2.gz VELRKWNBXPINQI-HNSVSWJLSA-N 2 0 281.444 1.170 10 0 CDAERP COC[C@H]([NH2+][C@H](C)C[C@H]1CCC[NH2+]1)[C@H]1CCCOC1 ZINC000903959392 626159632 /nfs/dbraw/zinc/15/96/32/626159632.db2.gz HGCWVXZGXMNNCB-BARDWOONSA-N 2 0 270.417 1.548 10 0 CDAERP CCC1([NH3+])CC[NH+](C2CCN(C(=O)OC)CC2)CC1 ZINC000903948968 626163823 /nfs/dbraw/zinc/16/38/23/626163823.db2.gz WSRJPZVOGIEXSD-UHFFFAOYSA-N 2 0 269.389 1.421 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000903964119 626170882 /nfs/dbraw/zinc/17/08/82/626170882.db2.gz MFWUQOULZPIOHQ-CRAIPNDOSA-N 2 0 287.451 1.891 10 0 CDAERP CC(=O)Nc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000903964300 626171563 /nfs/dbraw/zinc/17/15/63/626171563.db2.gz IKQSRAKSKGTJPZ-RISCZKNCSA-N 2 0 261.369 1.590 10 0 CDAERP Cc1cccn2cc(Cc3noc([C@@H]4C[C@@H]4C[NH3+])n3)nc12 ZINC000904092820 626194634 /nfs/dbraw/zinc/19/46/34/626194634.db2.gz ZXPRDBCHTRIISI-ZYHUDNBSSA-N 2 0 283.335 1.679 10 0 CDAERP c1csc(C[C@@H]2CCN(CC34CC(C3)C[NH2+]4)C2)n1 ZINC000904468398 626303336 /nfs/dbraw/zinc/30/33/36/626303336.db2.gz BPROEBAUYCSBKK-DCBWTQNWSA-N 2 0 263.410 1.760 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCS1 ZINC000905042344 626381835 /nfs/dbraw/zinc/38/18/35/626381835.db2.gz OKKGXCBULPWGLL-STQMWFEESA-N 2 0 284.473 1.870 10 0 CDAERP [NH3+]Cc1cc(-c2nc(CC3CC[NH2+]CC3)no2)ccn1 ZINC000905313670 626744066 /nfs/dbraw/zinc/74/40/66/626744066.db2.gz MNRVTBYZVDZWFF-UHFFFAOYSA-N 2 0 273.340 1.132 10 0 CDAERP [NH3+]Cc1ccc(-c2nc(CC3CC[NH2+]CC3)no2)o1 ZINC000905318264 626746103 /nfs/dbraw/zinc/74/61/03/626746103.db2.gz PMNWPMWNJORYGJ-UHFFFAOYSA-N 2 0 262.313 1.330 10 0 CDAERP C[C@@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH+]1CCCCC1 ZINC000907340407 627604048 /nfs/dbraw/zinc/60/40/48/627604048.db2.gz KDWHLHFWTGRQAS-AWEZNQCLSA-N 2 0 279.428 1.463 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)C[C@@]1(O)CCC[NH+](C)C1 ZINC000908249322 628093915 /nfs/dbraw/zinc/09/39/15/628093915.db2.gz GUUBABOVDCZECM-HOCLYGCPSA-N 2 0 299.459 1.070 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)N(C)OC)C1 ZINC000788024499 628794484 /nfs/dbraw/zinc/79/44/84/628794484.db2.gz XQHNKKHNSICLAL-ZDUSSCGKSA-N 2 0 271.405 1.060 10 0 CDAERP C[C@H](C(=O)N[C@]1(C)C[NH+]2CCC1CC2)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000912379615 629952256 /nfs/dbraw/zinc/95/22/56/629952256.db2.gz OGCKXZXJRDOWRM-UMPJEAMMSA-N 2 0 293.455 1.848 10 0 CDAERP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C12CC[NH+](CC1)C2 ZINC000912521676 630057081 /nfs/dbraw/zinc/05/70/81/630057081.db2.gz FEHIVRGBIUIUKP-AWEZNQCLSA-N 2 0 279.428 1.319 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CCn3cncc32)C1 ZINC000912585537 630079123 /nfs/dbraw/zinc/07/91/23/630079123.db2.gz XRWMRONGSOYWFY-STQMWFEESA-N 2 0 276.384 1.566 10 0 CDAERP C/C(Cl)=C\C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000913436411 630480133 /nfs/dbraw/zinc/48/01/33/630480133.db2.gz ICXIVHTUBWTACO-WXYBXBMJSA-N 2 0 287.835 1.327 10 0 CDAERP O=C(NC12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000913634259 630720400 /nfs/dbraw/zinc/72/04/00/630720400.db2.gz ILTMOOSZBCZHKV-MRXNPFEDSA-N 2 0 299.418 1.473 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H]1CC[NH+](C)[C@@H]1C ZINC000914341897 631355612 /nfs/dbraw/zinc/35/56/12/631355612.db2.gz UMDZFBKQGYJQJX-BARDWOONSA-N 2 0 296.459 1.499 10 0 CDAERP C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)Cc1cnc[nH]1 ZINC000914441168 631479752 /nfs/dbraw/zinc/47/97/52/631479752.db2.gz DIKZIIUYQWEKBH-GXTWGEPZSA-N 2 0 278.400 1.674 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000915717038 631803967 /nfs/dbraw/zinc/80/39/67/631803967.db2.gz LPNQNYOVWFICDQ-UKRRQHHQSA-N 2 0 296.459 1.643 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CC[NH+](C)[C@H]1C ZINC000917899718 632294951 /nfs/dbraw/zinc/29/49/51/632294951.db2.gz XYXMFLTWHJPEET-MJBXVCDLSA-N 2 0 282.432 1.253 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)N[C@@H]1CC[NH+](C)[C@H]1C ZINC000918210518 632343437 /nfs/dbraw/zinc/34/34/37/632343437.db2.gz VFLVHMOEEAISLC-QWHCGFSZSA-N 2 0 270.421 1.110 10 0 CDAERP Cc1ncc(C[NH2+]CCN(C)C(=O)CCC[NH+](C)C)s1 ZINC001266820259 1158861968 /nfs/dbraw/zinc/86/19/68/1158861968.db2.gz SUMOOBCZNLNMJG-UHFFFAOYSA-N 2 0 298.456 1.341 10 0 CDAERP CC(C)=CC[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001691112879 1158915585 /nfs/dbraw/zinc/91/55/85/1158915585.db2.gz MCSJQDKUZKEWHA-OAHLLOKOSA-N 2 0 281.444 1.873 10 0 CDAERP CCC[NH2+]C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001670543530 1158634326 /nfs/dbraw/zinc/63/43/26/1158634326.db2.gz CONOBLWKUHZQAG-OCCSQVGLSA-N 2 0 267.417 1.223 10 0 CDAERP CN(CC[NH2+]CC1CC1)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001691387732 1159046599 /nfs/dbraw/zinc/04/65/99/1159046599.db2.gz PKQRKPOAOCHQRM-UHFFFAOYSA-N 2 0 299.378 1.339 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001731632444 1159318277 /nfs/dbraw/zinc/31/82/77/1159318277.db2.gz IGJRJFIQUSNQIP-KGLIPLIRSA-N 2 0 267.417 1.389 10 0 CDAERP CCC(CC)C[NH2+]CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001481302158 1159646390 /nfs/dbraw/zinc/64/63/90/1159646390.db2.gz IWFCHYHZIHHSJM-HNNXBMFYSA-N 2 0 283.460 1.812 10 0 CDAERP CC(C)C[C@@H](C[NH2+]C(C)C)NC(=O)CC[NH+](C)C ZINC001482395019 1160199402 /nfs/dbraw/zinc/19/94/02/1160199402.db2.gz ZWSCLMGLXZTHLN-ZDUSSCGKSA-N 2 0 257.422 1.467 10 0 CDAERP CC(C)[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CCC1CC1)[NH+](C)C ZINC001483934743 1161242649 /nfs/dbraw/zinc/24/26/49/1161242649.db2.gz PVZAOAVKHLDMPS-HOTGVXAUSA-N 2 0 295.471 1.953 10 0 CDAERP C(C[N@@H+]1CC[C@@H]2COC[C@@H]2C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000690318708 1161491817 /nfs/dbraw/zinc/49/18/17/1161491817.db2.gz YFAXZHPXVJPJLN-BMRXWSCTSA-N 2 0 264.413 1.875 10 0 CDAERP CC1(C)CC[NH2+]CCN1C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000872299971 1165413288 /nfs/dbraw/zinc/41/32/88/1165413288.db2.gz FRHCUAAUUVDWOO-TXEJJXNPSA-N 2 0 253.390 1.104 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NCC1([NH+](C)C)CCCC1 ZINC001624689583 1165859907 /nfs/dbraw/zinc/85/99/07/1165859907.db2.gz IWVZTMLGMAJUJU-CYBMUJFWSA-N 2 0 269.433 1.565 10 0 CDAERP CCCC[NH2+][C@@H](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001274741623 1166646155 /nfs/dbraw/zinc/64/61/55/1166646155.db2.gz QQSRIRUVXVGFOC-AWEZNQCLSA-N 2 0 281.444 1.899 10 0 CDAERP C[C@H](C(=O)N[C@@H]1CC[C@H]2C[NH+](C)C[C@H]21)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001647008266 1168345228 /nfs/dbraw/zinc/34/52/28/1168345228.db2.gz GRALQGKKBSORAX-ZTYXSZCMSA-N 2 0 293.455 1.704 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001566813697 1168431517 /nfs/dbraw/zinc/43/15/17/1168431517.db2.gz LBRFTFMOWTYJRR-SHTZXODSSA-N 2 0 281.444 1.899 10 0 CDAERP CCC[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001568300525 1169230622 /nfs/dbraw/zinc/23/06/22/1169230622.db2.gz SDNRBVKDIIHDCP-STQMWFEESA-N 2 0 255.406 1.175 10 0 CDAERP CC(C)C[NH+]1CC([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001570853620 1170300599 /nfs/dbraw/zinc/30/05/99/1170300599.db2.gz FINPPBLGQGWJBO-GFCCVEGCSA-N 2 0 255.406 1.031 10 0 CDAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(F)=C1CCCC1 ZINC001654335537 1171605346 /nfs/dbraw/zinc/60/53/46/1171605346.db2.gz MWRVTXQOWOBQAC-UHFFFAOYSA-N 2 0 285.407 1.736 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001661947794 1172470479 /nfs/dbraw/zinc/47/04/79/1172470479.db2.gz XWHBVJCTHWPJFZ-ZDUSSCGKSA-N 2 0 255.406 1.319 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CCF ZINC001666574364 1173155169 /nfs/dbraw/zinc/15/51/69/1173155169.db2.gz XBXVPCRDBJPFDT-ZIAGYGMSSA-N 2 0 287.423 1.418 10 0 CDAERP C[C@H](CC[NH2+]CCCF)NC(=O)C[NH+]1CCC(C)CC1 ZINC001668254333 1173387488 /nfs/dbraw/zinc/38/74/88/1173387488.db2.gz MRMOZGHVXJGMRU-CQSZACIVSA-N 2 0 287.423 1.562 10 0 CDAERP CC[C@H](C(=O)N(CC)CC[NH2+]C[C@H]1CCCOC1)[NH+](C)C ZINC001668619557 1173432392 /nfs/dbraw/zinc/43/23/92/1173432392.db2.gz NENQDJHGHXTEBD-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCCF ZINC001673092090 1173826204 /nfs/dbraw/zinc/82/62/04/1173826204.db2.gz HNJNPPLWGHGDGL-KGLIPLIRSA-N 2 0 285.407 1.411 10 0 CDAERP CC(C)CC[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001673898395 1173895198 /nfs/dbraw/zinc/89/51/98/1173895198.db2.gz POYXCGHTHTUDGR-KGLIPLIRSA-N 2 0 269.433 1.421 10 0 CDAERP CC[N@H+](C)CCC(=O)NC1CC(C[NH2+]C/C=C/Cl)C1 ZINC001674595287 1173965413 /nfs/dbraw/zinc/96/54/13/1173965413.db2.gz LRHYGUZOGYGELI-GQCTYLIASA-N 2 0 287.835 1.565 10 0 CDAERP CC[NH2+][C@H](C)[C@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001674781339 1174009850 /nfs/dbraw/zinc/00/98/50/1174009850.db2.gz WBELEANHHUJBNC-KGLIPLIRSA-N 2 0 269.433 1.755 10 0 CDAERP CCCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001675565213 1174127548 /nfs/dbraw/zinc/12/75/48/1174127548.db2.gz WTVLRPAZGPDOFW-PHZGNYQRSA-N 2 0 295.471 1.811 10 0 CDAERP CC[N@H+](CCF)CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001689965165 1175324062 /nfs/dbraw/zinc/32/40/62/1175324062.db2.gz KBFYBJIGWGZNLD-CYBMUJFWSA-N 2 0 273.396 1.126 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@@H]2C1 ZINC001692289510 1175725636 /nfs/dbraw/zinc/72/56/36/1175725636.db2.gz SQUAWISXODYCHY-CVEARBPZSA-N 2 0 295.471 1.907 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001698844580 1175960784 /nfs/dbraw/zinc/96/07/84/1175960784.db2.gz DSQXMLSBIFKQGF-GJZGRUSLSA-N 2 0 283.460 1.811 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CCF ZINC001698910385 1175983006 /nfs/dbraw/zinc/98/30/06/1175983006.db2.gz YIEAOKQJNSWBTG-KBPBESRZSA-N 2 0 285.407 1.411 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+]CC2CCCCC2)C1 ZINC001699342168 1176270181 /nfs/dbraw/zinc/27/01/81/1176270181.db2.gz FBLCVMMHIMYARZ-KJPDOMRESA-N 2 0 293.455 1.780 10 0 CDAERP O=C(NCC1([NH2+]CCCF)CCC1)[C@@]12CC[N@H+](C1)CCC2 ZINC001700140959 1176768772 /nfs/dbraw/zinc/76/87/72/1176768772.db2.gz UMAQWJPRFVXTGB-HNNXBMFYSA-N 2 0 297.418 1.460 10 0 CDAERP CCCC[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001701029001 1177245632 /nfs/dbraw/zinc/24/56/32/1177245632.db2.gz IAAPQKNJOXSNCI-HSBZDZAISA-N 2 0 267.417 1.317 10 0 CDAERP C[N@H+](CCF)CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001707409187 1178026967 /nfs/dbraw/zinc/02/69/67/1178026967.db2.gz VBOZILWXZWQKMK-KGLIPLIRSA-N 2 0 285.407 1.411 10 0 CDAERP CC[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001712947406 1178259616 /nfs/dbraw/zinc/25/96/16/1178259616.db2.gz XJCNCOJOZDFZMP-CYBMUJFWSA-N 2 0 255.406 1.317 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC(C)C)C1 ZINC001713204789 1178431257 /nfs/dbraw/zinc/43/12/57/1178431257.db2.gz IJDUHLQJDIQLET-BETUJISGSA-N 2 0 255.406 1.221 10 0 CDAERP CC(C)=CC[NH+]1CC(CNC(=O)C[C@H](C)n2ccnc2)C1 ZINC001713919646 1178844844 /nfs/dbraw/zinc/84/48/44/1178844844.db2.gz VGTIAXDLUXFGIW-AWEZNQCLSA-N 2 0 290.411 1.848 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCCF)C1 ZINC001713961434 1178892928 /nfs/dbraw/zinc/89/29/28/1178892928.db2.gz VGDZKGHRSPSAPJ-KKUMJFAQSA-N 2 0 299.434 1.846 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001714362254 1179105138 /nfs/dbraw/zinc/10/51/38/1179105138.db2.gz RSEXKPMIUIRBEY-ZIAGYGMSSA-N 2 0 299.434 1.514 10 0 CDAERP C[C@H](C[NH2+]CCCF)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001714668282 1179312784 /nfs/dbraw/zinc/31/27/84/1179312784.db2.gz LRYMXUOXUMAGEY-CQSZACIVSA-N 2 0 299.434 1.659 10 0 CDAERP CC/C=C/CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001714674440 1179315867 /nfs/dbraw/zinc/31/58/67/1179315867.db2.gz GHEGKILHDXVRSC-MBVDDHJVSA-N 2 0 293.455 1.875 10 0 CDAERP C[C@H](C[NH2+]CCC(F)(F)F)N(C)C(=O)CCC[NH+](C)C ZINC001714741829 1179368414 /nfs/dbraw/zinc/36/84/14/1179368414.db2.gz CSRBQNLPZVGNTB-LLVKDONJSA-N 2 0 297.365 1.717 10 0 CDAERP CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001715002669 1179501093 /nfs/dbraw/zinc/50/10/93/1179501093.db2.gz DBZVXQMSAQHDNV-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP COCCC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001715024755 1179517115 /nfs/dbraw/zinc/51/71/15/1179517115.db2.gz QSTUZVKUPPVMEF-OAHLLOKOSA-N 2 0 297.443 1.040 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001715235236 1179590541 /nfs/dbraw/zinc/59/05/41/1179590541.db2.gz YTXZZJQSNQBFES-AWEZNQCLSA-N 2 0 281.444 1.779 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001715270383 1179603307 /nfs/dbraw/zinc/60/33/07/1179603307.db2.gz IUHRCNZYCDOUET-CQSZACIVSA-N 2 0 267.417 1.390 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001715371340 1179647336 /nfs/dbraw/zinc/64/73/36/1179647336.db2.gz GTTLNLIKQLWESJ-HUUCEWRRSA-N 2 0 281.444 1.731 10 0 CDAERP CCC[NH2+]CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001715683735 1179763789 /nfs/dbraw/zinc/76/37/89/1179763789.db2.gz OSNGGVMFTQEILW-QWHCGFSZSA-N 2 0 255.406 1.223 10 0 CDAERP C[N@H+](CC(=O)NC/C=C/C[NH2+]CC1CCC1)C1CCC1 ZINC001715827679 1179854605 /nfs/dbraw/zinc/85/46/05/1179854605.db2.gz QHKMBNJONWEYEB-NSCUHMNNSA-N 2 0 279.428 1.533 10 0 CDAERP CCOCC[N@H+](C)CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001715921545 1179917141 /nfs/dbraw/zinc/91/71/41/1179917141.db2.gz DZIFVOKIHOMRJS-UHFFFAOYSA-N 2 0 299.459 1.288 10 0 CDAERP CCOCCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001715944941 1179933297 /nfs/dbraw/zinc/93/32/97/1179933297.db2.gz LVQJXZGBPLSHFO-ILXRZTDVSA-N 2 0 299.459 1.238 10 0 CDAERP CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001716454611 1180219176 /nfs/dbraw/zinc/21/91/76/1180219176.db2.gz HHPOBDRUIDNYFC-STQMWFEESA-N 2 0 255.406 1.364 10 0 CDAERP CC(C)[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001716975122 1180488291 /nfs/dbraw/zinc/48/82/91/1180488291.db2.gz JBSZLWQJOBRQCN-KBPBESRZSA-N 2 0 269.433 1.562 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@H](CC[NH2+]C/C=C\Cl)C1 ZINC001717098080 1180530438 /nfs/dbraw/zinc/53/04/38/1180530438.db2.gz ZTTMKSYPSOAPKV-QTEJZOKPSA-N 2 0 287.835 1.519 10 0 CDAERP CC[NH2+]CC[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001717106597 1180532681 /nfs/dbraw/zinc/53/26/81/1180532681.db2.gz QGVARGRNUJSUEN-STQMWFEESA-N 2 0 255.406 1.175 10 0 CDAERP CCCC[NH2+][C@H](C)[C@H]1CN(C(=O)CC[N@H+](C)CC)CCO1 ZINC001717618635 1180761408 /nfs/dbraw/zinc/76/14/08/1180761408.db2.gz KYXVWDASBZJZBA-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@@H](CCC[NH2+]CCC1CC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001717660780 1180782165 /nfs/dbraw/zinc/78/21/65/1180782165.db2.gz CBECTXOVLNBOFD-ZFWWWQNUSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@H+](C)CCC1CC1 ZINC001722917588 1181493367 /nfs/dbraw/zinc/49/33/67/1181493367.db2.gz VOTJSFRDROJERT-ZDUSSCGKSA-N 2 0 269.433 1.563 10 0 CDAERP CC[NH2+]CCCN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001723197572 1181525651 /nfs/dbraw/zinc/52/56/51/1181525651.db2.gz XMRKEONSNHDXBF-UHFFFAOYSA-N 2 0 269.433 1.711 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001725359287 1181972152 /nfs/dbraw/zinc/97/21/52/1181972152.db2.gz PXFDULFUPJJEQS-TUVASFSCSA-N 2 0 299.434 1.703 10 0 CDAERP CCOCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C ZINC001725614964 1182072306 /nfs/dbraw/zinc/07/23/06/1182072306.db2.gz AZHBJNARSZQQJF-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001731600173 1182472614 /nfs/dbraw/zinc/47/26/14/1182472614.db2.gz TTWOWRVDMQLOFW-UONOGXRCSA-N 2 0 269.433 1.611 10 0 CDAERP CC[N@H+](C)CCNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001731777669 1182570558 /nfs/dbraw/zinc/57/05/58/1182570558.db2.gz JIGUVDVOXXEKOO-UHFFFAOYSA-N 2 0 269.433 1.707 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001731791432 1182582975 /nfs/dbraw/zinc/58/29/75/1182582975.db2.gz CRHDMPDUOXVOQB-KBPBESRZSA-N 2 0 269.433 1.422 10 0 CDAERP CC(C)CC[NH2+]CCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001731987098 1182716013 /nfs/dbraw/zinc/71/60/13/1182716013.db2.gz YAMLDAKWXVBWQW-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](CC[NH2+]CCF)C2)C1 ZINC001732282870 1182893862 /nfs/dbraw/zinc/89/38/62/1182893862.db2.gz BWQQSOWSAUEMRH-KBPBESRZSA-N 2 0 285.407 1.126 10 0 CDAERP CC[C@H](C)C[NH2+]C/C=C\CNC(=O)C12CC[NH+](CC1)C2 ZINC001732924535 1183186791 /nfs/dbraw/zinc/18/67/91/1183186791.db2.gz UMQZSAHXTVAMQW-WSNITJDQSA-N 2 0 279.428 1.390 10 0 CDAERP CC(C)C[N@H+](C)C[C@H](C)NC(=O)C[NH+](C)C(C)C ZINC001733068016 1183275107 /nfs/dbraw/zinc/27/51/07/1183275107.db2.gz UFHHLWLKOUGRFI-ZDUSSCGKSA-N 2 0 257.422 1.419 10 0 CDAERP CN(CCC[NH2+]CC1CCC1)C(=O)C12CC[NH+](CC1)C2 ZINC001733142637 1183305760 /nfs/dbraw/zinc/30/57/60/1183305760.db2.gz FUPPZVZGJFMRNH-UHFFFAOYSA-N 2 0 279.428 1.320 10 0 CDAERP CCC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001733649121 1183490010 /nfs/dbraw/zinc/49/00/10/1183490010.db2.gz RIQKXWLJMNNLAF-HOCLYGCPSA-N 2 0 293.455 1.566 10 0 CDAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]CCC1CC1 ZINC001733851724 1183550440 /nfs/dbraw/zinc/55/04/40/1183550440.db2.gz ODURDLBJKWSREH-JSGCOSHPSA-N 2 0 267.417 1.175 10 0 CDAERP CC(C)C[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001733855595 1183551120 /nfs/dbraw/zinc/55/11/20/1183551120.db2.gz ALTFMLHWPPLSJD-LSDHHAIUSA-N 2 0 283.460 1.811 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H]([NH2+]CCCF)C1 ZINC001733857136 1183552546 /nfs/dbraw/zinc/55/25/46/1183552546.db2.gz HOBDTSFJHJKKKM-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP CCCC[NH2+]CCC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001734260937 1183706689 /nfs/dbraw/zinc/70/66/89/1183706689.db2.gz LTLZZYZQSGPBAR-AWEZNQCLSA-N 2 0 281.444 1.757 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407336374 1186620663 /nfs/dbraw/zinc/62/06/63/1186620663.db2.gz UPYASYFQNWGONG-HZSPNIEDSA-N 2 0 265.401 1.118 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]([NH+](C)C)CC2)CC[N@@H+]1C ZINC000365618600 1187258489 /nfs/dbraw/zinc/25/84/89/1187258489.db2.gz HRAZEGIDWHBLRY-SOUVJXGZSA-N 2 0 281.444 1.659 10 0 CDAERP C[NH+]1CCC(C)(C[NH2+]C[C@H](O)C(F)(F)F)CC1 ZINC000226348207 1164260658 /nfs/dbraw/zinc/26/06/58/1164260658.db2.gz OAAMJILFIKFLCB-VIFPVBQESA-N 2 0 254.296 1.231 10 0 CDAERP C[C@H](CN1CC[C@](C[NH3+])(C(C)(C)C)C1)CS(C)(=O)=O ZINC000866706676 1164811034 /nfs/dbraw/zinc/81/10/34/1164811034.db2.gz PYHOUBMFALMUPJ-TZMCWYRMSA-N 2 0 290.473 1.364 10 0 CDAERP CN(C(=O)[C@H]1CCC[C@H]([NH3+])C1)C1CC[NH+](C)CC1 ZINC000055086205 745029731 /nfs/dbraw/zinc/02/97/31/745029731.db2.gz ORZSFQUNMWVLMG-RYUDHWBXSA-N 2 0 253.390 1.057 10 0 CDAERP [NH3+][C@H]1CCC[C@H]1[NH2+]CCc1cccc2c1OCCO2 ZINC000925873744 742866557 /nfs/dbraw/zinc/86/65/57/742866557.db2.gz CWRYQJINHCILAJ-QWHCGFSZSA-N 2 0 262.353 1.470 10 0 CDAERP CN(C)[C@@H](CNC1=[NH+]CCCCN1)c1ccc(F)cc1 ZINC000849215530 742927863 /nfs/dbraw/zinc/92/78/63/742927863.db2.gz PAYWUFVUBMKVOU-AWEZNQCLSA-N 2 0 278.375 1.757 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000722391448 742943112 /nfs/dbraw/zinc/94/31/12/742943112.db2.gz KPTGDPFGIRTYHX-VLEAKVRGSA-N 2 0 266.307 1.813 10 0 CDAERP C[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1ccnn1C ZINC000925845775 742987045 /nfs/dbraw/zinc/98/70/45/742987045.db2.gz IUROVJCRIURATN-AWEZNQCLSA-N 2 0 279.432 1.146 10 0 CDAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CC23CCC3)C[C@H]1C[NH+](C)C ZINC000870020336 743034044 /nfs/dbraw/zinc/03/40/44/743034044.db2.gz MRCZMNYLTIEUNE-KFWWJZLASA-N 2 0 293.455 1.374 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2COC(C)(C)O2)[C@H](C)C1 ZINC000851846828 743065624 /nfs/dbraw/zinc/06/56/24/743065624.db2.gz JBERVSONHAMWLE-MCIONIFRSA-N 2 0 270.417 1.800 10 0 CDAERP CCO[C@@H]1C[N@H+](C[C@@H](O)CCC(C)C)C[C@H]1C[NH3+] ZINC000923386922 743229164 /nfs/dbraw/zinc/22/91/64/743229164.db2.gz LCNYNMOMYVZYFF-HZSPNIEDSA-N 2 0 258.406 1.079 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC000925827473 743319991 /nfs/dbraw/zinc/31/99/91/743319991.db2.gz UHERFXDETJMQTG-NWDGAFQWSA-N 2 0 256.390 1.024 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)C1 ZINC000925880122 743328326 /nfs/dbraw/zinc/32/83/26/743328326.db2.gz OIPGFTNKHMGODB-XPABHHOTSA-N 2 0 252.402 1.909 10 0 CDAERP Cc1nc(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)oc1C ZINC000923452131 743337647 /nfs/dbraw/zinc/33/76/47/743337647.db2.gz RWBCLYAOPHBHNO-ZDUSSCGKSA-N 2 0 279.384 1.621 10 0 CDAERP O=C(N1CC[C@@H]([NH+]2CCCC2)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC000896104145 743346806 /nfs/dbraw/zinc/34/68/06/743346806.db2.gz CVWJVQQTUOYXFC-ZBFHGGJFSA-N 2 0 277.412 1.169 10 0 CDAERP C[NH+](C)C[C@H]1CCCCN1C(=O)C=C1CC[NH2+]CC1 ZINC000852883026 743350998 /nfs/dbraw/zinc/35/09/98/743350998.db2.gz DLXVPGBYXONSLS-CQSZACIVSA-N 2 0 265.401 1.239 10 0 CDAERP CC1([NH+]2CCCCC2)CCN(C[C@@H]2C[NH2+]CCO2)CC1 ZINC000872146552 743354943 /nfs/dbraw/zinc/35/49/43/743354943.db2.gz QTTMPUIJQRXGIS-HNNXBMFYSA-N 2 0 281.444 1.315 10 0 CDAERP CC[C@H](C)[N@H+](C)CCN[C@H]1CC[NH2+]C12CCCC2 ZINC000925577232 743505620 /nfs/dbraw/zinc/50/56/20/743505620.db2.gz MVIMVNLEFFESTR-KBPBESRZSA-N 2 0 253.434 1.981 10 0 CDAERP CC[N@@H+]1CC[C@H]1CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC000922157711 743508421 /nfs/dbraw/zinc/50/84/21/743508421.db2.gz CXRDWCZXOIEJSG-AWEZNQCLSA-N 2 0 276.384 1.118 10 0 CDAERP COC/C(C)=C/CN1CCC([N@H+](C)CCCO)CC1 ZINC000929656820 743552403 /nfs/dbraw/zinc/55/24/03/743552403.db2.gz IAIUQGVIPKOXFC-LHHJGKSTSA-N 2 0 270.417 1.358 10 0 CDAERP Cc1ccc(O)c(CN2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)n1 ZINC000720872140 743599222 /nfs/dbraw/zinc/59/92/22/743599222.db2.gz OXSFSQTYSYJOFZ-NXEZZACHSA-N 2 0 289.301 1.665 10 0 CDAERP c1[nH]nc2cc(C[NH2+][C@@H]3CC34CC[NH2+]CC4)ccc12 ZINC000841080918 744966112 /nfs/dbraw/zinc/96/61/12/744966112.db2.gz WYSDBHNUQSLXBW-CQSZACIVSA-N 2 0 256.353 1.795 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000111273057 744969625 /nfs/dbraw/zinc/96/96/25/744969625.db2.gz XGMKAQOUJJQZFQ-WBVHZDCISA-N 2 0 273.424 1.660 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC[N@@H+]1C ZINC000928430925 745075036 /nfs/dbraw/zinc/07/50/36/745075036.db2.gz ACYBNHUTLXOQQC-CJNGLKHVSA-N 2 0 289.423 1.613 10 0 CDAERP Cc1csc(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)n1 ZINC000923451225 745173280 /nfs/dbraw/zinc/17/32/80/745173280.db2.gz KPXGWNSMFBLOCV-LBPRGKRZSA-N 2 0 281.425 1.781 10 0 CDAERP CC(C)[C@H](O)C1(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000925636414 745203214 /nfs/dbraw/zinc/20/32/14/745203214.db2.gz RXCGUXJUNMIGAO-UPJWGTAASA-N 2 0 252.402 1.643 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000720880152 745226887 /nfs/dbraw/zinc/22/68/87/745226887.db2.gz NBBRBAAFVLOFHF-SOUVJXGZSA-N 2 0 281.444 1.693 10 0 CDAERP CC[C@H]1CN(C(=O)CCCCCC[NH3+])CC[N@@H+]1C[C@@H](C)O ZINC000167996207 745263843 /nfs/dbraw/zinc/26/38/43/745263843.db2.gz JXLDITYEEPYBRI-CABCVRRESA-N 2 0 299.459 1.199 10 0 CDAERP Cc1cc([C@H]([NH3+])CC(=O)N(C)C2CC([NH3+])C2)cc(Cl)n1 ZINC000841852626 745270455 /nfs/dbraw/zinc/27/04/55/745270455.db2.gz NJKWBGGLSFEPAS-HTAVTVPLSA-N 2 0 296.802 1.381 10 0 CDAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](C[C@@H]1CC[C@@H](C3CC3)O1)CC2 ZINC000923447618 745301578 /nfs/dbraw/zinc/30/15/78/745301578.db2.gz UXKWATVNHPUGMP-JYJNAYRXSA-N 2 0 294.439 1.774 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N1CCC([NH2+]CC2CC2)CC1 ZINC000852798720 745344574 /nfs/dbraw/zinc/34/45/74/745344574.db2.gz NCVHMVLNVWZTEX-UHFFFAOYSA-N 2 0 277.412 1.287 10 0 CDAERP C[C@H]1C[NH2+]C[C@@H](Nc2ccc3c(c2)C[NH2+]CCO3)C1 ZINC000843126396 745376000 /nfs/dbraw/zinc/37/60/00/745376000.db2.gz PZGQGEOLSMDVHC-RISCZKNCSA-N 2 0 261.369 1.579 10 0 CDAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCCCC[NH3+] ZINC000246552973 745388350 /nfs/dbraw/zinc/38/83/50/745388350.db2.gz RAZCWPLYDRBLKJ-STQMWFEESA-N 2 0 253.390 1.201 10 0 CDAERP C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+](C)CCCCCC[NH3+])C1 ZINC000710693096 745422812 /nfs/dbraw/zinc/42/28/12/745422812.db2.gz KGIAXRKYCQZKAB-HUUCEWRRSA-N 2 0 283.460 1.942 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+][C@@H]2CC[C@H](C(N)=O)C2)C1 ZINC000925688574 745431346 /nfs/dbraw/zinc/43/13/46/745431346.db2.gz FALGDPPYGATAQN-NNYUYHANSA-N 2 0 253.390 1.136 10 0 CDAERP C[C@H](N[C@@H](CC[NH+](C)C)c1cccnc1)[C@@H]1CCC[NH2+]1 ZINC000925825578 745485977 /nfs/dbraw/zinc/48/59/77/745485977.db2.gz AQYBAKVMSFPEPD-BPUTZDHNSA-N 2 0 276.428 1.805 10 0 CDAERP COc1cccc(NC(=O)C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000251589171 745517908 /nfs/dbraw/zinc/51/79/08/745517908.db2.gz CRSIHUBTKMMUKH-OLZOCXBDSA-N 2 0 291.395 1.550 10 0 CDAERP O=C1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CN1CC1CC1 ZINC000716770734 745542025 /nfs/dbraw/zinc/54/20/25/745542025.db2.gz BTDMTDSPDHFYGB-ILXRZTDVSA-N 2 0 277.412 1.214 10 0 CDAERP O[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000261987213 745614407 /nfs/dbraw/zinc/61/44/07/745614407.db2.gz SGBOFYMODWKSLI-DGADGQDISA-N 2 0 282.428 1.284 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000724343866 745679109 /nfs/dbraw/zinc/67/91/09/745679109.db2.gz UQBZLTCNYMYFPO-WYTNZGFTSA-N 2 0 286.441 1.202 10 0 CDAERP COCC[NH2+]C1CCN(C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000923390838 745701562 /nfs/dbraw/zinc/70/15/62/745701562.db2.gz YLPKNPZCPZXZOY-MRXNPFEDSA-N 2 0 296.386 1.560 10 0 CDAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711247380 745780527 /nfs/dbraw/zinc/78/05/27/745780527.db2.gz KQKWWAVVZGDFFI-HZSPNIEDSA-N 2 0 279.428 1.317 10 0 CDAERP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000712996131 745798258 /nfs/dbraw/zinc/79/82/58/745798258.db2.gz LWBHUENRUOGSMC-CHWSQXEVSA-N 2 0 283.460 1.985 10 0 CDAERP C[NH+]1C[C@]2(C)CN(CC[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000931315849 745804176 /nfs/dbraw/zinc/80/41/76/745804176.db2.gz CBTKVYVXCFCORH-HUUCEWRRSA-N 2 0 251.418 1.356 10 0 CDAERP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000925787468 745830929 /nfs/dbraw/zinc/83/09/29/745830929.db2.gz SYYRTSCYCHBJSU-LUYZLQTOSA-N 2 0 261.413 1.390 10 0 CDAERP Cc1nccnc1C[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714501493 745848072 /nfs/dbraw/zinc/84/80/72/745848072.db2.gz VPLKMCQPLZITSY-UHFFFAOYSA-N 2 0 262.401 1.982 10 0 CDAERP CC1(C)C[C@@H]([NH2+]CCC[C@H]2CCOC2=O)C[C@@H]([NH3+])C1 ZINC000925731579 745848773 /nfs/dbraw/zinc/84/87/73/745848773.db2.gz UJPNNBPQTVFORT-XQQFMLRXSA-N 2 0 268.401 1.825 10 0 CDAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCCCCCCC[NH+](C)C ZINC000841742694 745849479 /nfs/dbraw/zinc/84/94/79/745849479.db2.gz ZZINHBGRCFERPF-LSDHHAIUSA-N 2 0 298.475 1.796 10 0 CDAERP c1nc(C2CC2)ncc1CCN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925626472 745870768 /nfs/dbraw/zinc/87/07/68/745870768.db2.gz QKWQWORMTJBMEV-RFBLXINOSA-N 2 0 284.407 1.483 10 0 CDAERP CCCCNC(=O)CC[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705535 745888694 /nfs/dbraw/zinc/88/86/94/745888694.db2.gz BXIYNGNBQYBOTA-INIZCTEOSA-N 2 0 283.460 1.990 10 0 CDAERP CC(=O)NCCCCC[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000929326940 745889750 /nfs/dbraw/zinc/88/97/50/745889750.db2.gz BYPCNEKNGVLAAK-UHFFFAOYSA-N 2 0 283.460 1.957 10 0 CDAERP C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2Cl)C[C@H]1C[NH3+] ZINC000923410017 745955945 /nfs/dbraw/zinc/95/59/45/745955945.db2.gz DFZVGNBRTVUBTK-UPJWGTAASA-N 2 0 298.814 1.606 10 0 CDAERP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925814944 746093204 /nfs/dbraw/zinc/09/32/04/746093204.db2.gz NOIOCYGURHFWLF-CXAGYDPISA-N 2 0 273.424 1.933 10 0 CDAERP CCCCOC[C@H](O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000715063999 746097293 /nfs/dbraw/zinc/09/72/93/746097293.db2.gz UPOSWVFSWVBPKK-RBSFLKMASA-N 2 0 270.417 1.238 10 0 CDAERP CC(C)C[N@H+](CC1CC[NH+](C)CC1)C[C@@H]1CNCCO1 ZINC000866718326 746106990 /nfs/dbraw/zinc/10/69/90/746106990.db2.gz ZWQJCMWNBUBTLK-INIZCTEOSA-N 2 0 283.460 1.275 10 0 CDAERP C[NH+](C)CCOCC[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000723617333 746295048 /nfs/dbraw/zinc/29/50/48/746295048.db2.gz ZQTUNLGGHHPSAJ-RRFJBIMHSA-N 2 0 270.417 1.359 10 0 CDAERP CN1CCC([NH2+][C@H]2CCCN3CCSC[C@@H]23)CC1 ZINC000718355776 746331526 /nfs/dbraw/zinc/33/15/26/746331526.db2.gz XEDCOTWCECVQRH-KBPBESRZSA-N 2 0 269.458 1.250 10 0 CDAERP O[C@H](C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000709827264 746332981 /nfs/dbraw/zinc/33/29/81/746332981.db2.gz JHZLBAPJRAPMEO-CVEARBPZSA-N 2 0 260.381 1.796 10 0 CDAERP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000926200606 746380964 /nfs/dbraw/zinc/38/09/64/746380964.db2.gz IFYGZNMDWYPUPB-JUVOFCAFSA-N 2 0 295.471 1.560 10 0 CDAERP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)[C@H]1CN(C)CCO1 ZINC000925616579 746677527 /nfs/dbraw/zinc/67/75/27/746677527.db2.gz NMAQBMGQRATIBY-IGQOVBAYSA-N 2 0 269.433 1.201 10 0 CDAERP C[C@@H](c1ncccn1)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923441467 746679972 /nfs/dbraw/zinc/67/99/72/746679972.db2.gz LPEWAPVVLJZNLX-QWHCGFSZSA-N 2 0 276.384 1.367 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)CC[NH2+]CC2CC2)CC1 ZINC000870910247 746680516 /nfs/dbraw/zinc/68/05/16/746680516.db2.gz MMHKEJQEKGOVCP-UHFFFAOYSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC[NH2+]C(C)(C)C ZINC000094459900 746755803 /nfs/dbraw/zinc/75/58/03/746755803.db2.gz WNZCEIHWNQNLBX-CHWSQXEVSA-N 2 0 267.417 1.460 10 0 CDAERP C[NH+]1CCC(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000094370850 746761392 /nfs/dbraw/zinc/76/13/92/746761392.db2.gz AMNPLRHLAGVLQW-CABCVRRESA-N 2 0 268.401 1.256 10 0 CDAERP Cc1nsc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC000866011374 746766675 /nfs/dbraw/zinc/76/66/75/746766675.db2.gz DNBJJFKVRTWPHI-VXGBXAGGSA-N 2 0 283.445 1.022 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](N[C@H]2C[N@@H+]3C[C@@H]2CCC3)C1 ZINC000925223499 746794226 /nfs/dbraw/zinc/79/42/26/746794226.db2.gz VZYOCOXYSCRCKR-YJNKXOJESA-N 2 0 251.418 1.543 10 0 CDAERP [NH3+]CC(C[NH3+])NCc1ccc(Br)c(F)c1F ZINC000923359061 746811813 /nfs/dbraw/zinc/81/18/13/746811813.db2.gz KRAUCVQFFSEHAC-UHFFFAOYSA-N 2 0 294.143 1.103 10 0 CDAERP CCC[NH+]1CCC([NH2+]CC[C@@H]2CC(=O)N(C)C2)CC1 ZINC000723589402 746806372 /nfs/dbraw/zinc/80/63/72/746806372.db2.gz HGEMISNLQRBSOU-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](CN[C@H]2C[NH+]3C[C@@H]2CCC3)C1 ZINC000924959605 746808775 /nfs/dbraw/zinc/80/87/75/746808775.db2.gz KFFSMZWOUICAIX-JYJNAYRXSA-N 2 0 265.445 1.791 10 0 CDAERP CO[C@H]1C[C@H](C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])C1 ZINC000925734943 746822208 /nfs/dbraw/zinc/82/22/08/746822208.db2.gz DEJWDKAJXPHUFB-TUUVXOQKSA-N 2 0 262.397 1.960 10 0 CDAERP Cc1cc([C@@H]([NH3+])CC(=O)N[C@@]2(C)CC[NH2+]C2)cc(Cl)n1 ZINC000852929261 746823582 /nfs/dbraw/zinc/82/35/82/746823582.db2.gz YWZRGUJGURWKEW-FZMZJTMJSA-N 2 0 296.802 1.302 10 0 CDAERP C[C@H]([NH2+]C[C@@]1(C(F)(F)F)CCCN1)C1CC[NH+](C)CC1 ZINC000925854320 746829842 /nfs/dbraw/zinc/82/98/42/746829842.db2.gz DLCKKDWERRMOJE-WCQYABFASA-N 2 0 293.377 1.991 10 0 CDAERP [NH3+]CC1(CCNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC000846691773 746848583 /nfs/dbraw/zinc/84/85/83/746848583.db2.gz LYJUNLHOVHFGDQ-UHFFFAOYSA-N 2 0 267.417 1.498 10 0 CDAERP Fc1c(Cl)cccc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000923459708 746857434 /nfs/dbraw/zinc/85/74/34/746857434.db2.gz MGKLOJCPGPQXCL-UHFFFAOYSA-N 2 0 271.767 1.474 10 0 CDAERP CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC000925329737 746857970 /nfs/dbraw/zinc/85/79/70/746857970.db2.gz QAXODBOAWNTVOQ-GXTWGEPZSA-N 2 0 282.432 1.251 10 0 CDAERP C[C@@H]1C[C@H]1NC(=[NH2+])NCC1([NH+]2CCSCC2)CCCC1 ZINC000864454552 746870400 /nfs/dbraw/zinc/87/04/00/746870400.db2.gz ODUOENITHQQPDZ-CHWSQXEVSA-N 2 0 296.484 1.870 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)CC1 ZINC000721566397 746871920 /nfs/dbraw/zinc/87/19/20/746871920.db2.gz GDDJGLWSEOLRTJ-KGLIPLIRSA-N 2 0 284.444 1.626 10 0 CDAERP CC[C@@](C)(O)C[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880258955 746888135 /nfs/dbraw/zinc/88/81/35/746888135.db2.gz FFBPOPXVBMRWCP-UKRRQHHQSA-N 2 0 263.385 1.753 10 0 CDAERP C[C@@H]1C[C@@H](N[C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC[N@@H+]1C ZINC000925514439 746888974 /nfs/dbraw/zinc/88/89/74/746888974.db2.gz FKNNGKUKQDQIIJ-SEBNEYGDSA-N 2 0 265.445 1.835 10 0 CDAERP C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC(=O)NC(C)(C)C ZINC000923303135 746892357 /nfs/dbraw/zinc/89/23/57/746892357.db2.gz ZLBAKIWQQMKBAB-AGUYFDCRSA-N 2 0 281.444 1.754 10 0 CDAERP CC[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)C1CC1 ZINC000925851097 746893245 /nfs/dbraw/zinc/89/32/45/746893245.db2.gz LNEDHMAAJVJQOH-QWHCGFSZSA-N 2 0 266.385 1.450 10 0 CDAERP CN(CCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)CC[NH+](C)C ZINC000858196772 746894258 /nfs/dbraw/zinc/89/42/58/746894258.db2.gz XYSQLFGYSWFSHU-OAHLLOKOSA-N 2 0 284.492 1.332 10 0 CDAERP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cccnc1-n1ccnc1 ZINC000817898524 746908471 /nfs/dbraw/zinc/90/84/71/746908471.db2.gz HXAUZFAWHQACRC-NEPJUHHUSA-N 2 0 259.357 1.483 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)C=C1CC[NH2+]CC1 ZINC000852865258 746911156 /nfs/dbraw/zinc/91/11/56/746911156.db2.gz XNDKYDBEWBIKGU-AWEZNQCLSA-N 2 0 265.401 1.287 10 0 CDAERP C[C@H]1CN(Cc2ccc(S(C)(=O)=O)cc2)CC[C@@H]1C[NH3+] ZINC000923498533 746913156 /nfs/dbraw/zinc/91/31/56/746913156.db2.gz OMQRGQHPETUKFK-GXTWGEPZSA-N 2 0 296.436 1.507 10 0 CDAERP CC(C)C[C@@H](CNC(=O)[C@@H]1C[NH2+]CC1(C)C)[NH+](C)C ZINC000711347206 747009176 /nfs/dbraw/zinc/00/91/76/747009176.db2.gz OLRFNANVOBDEOD-STQMWFEESA-N 2 0 269.433 1.325 10 0 CDAERP CCO[C@H](CNC(=O)Nc1ccc(C[NH3+])cc1)C[NH+](C)C ZINC000926157628 747042262 /nfs/dbraw/zinc/04/22/62/747042262.db2.gz CQEBJRLNDFGOFF-CQSZACIVSA-N 2 0 294.399 1.234 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000866703959 747046667 /nfs/dbraw/zinc/04/66/67/747046667.db2.gz QOOUWAIMWAXXRB-UKRRQHHQSA-N 2 0 253.434 1.683 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC(OC)OC)C1 ZINC000851797209 747102109 /nfs/dbraw/zinc/10/21/09/747102109.db2.gz IBXKCCMDQAIKIV-ZDUSSCGKSA-N 2 0 258.406 1.659 10 0 CDAERP [NH3+][C@H]1C[C@H]([NH2+]CCCNC(=O)C2CCC2)C12CCC2 ZINC000925578030 747155166 /nfs/dbraw/zinc/15/51/66/747155166.db2.gz YUXXYHZGARMIIX-STQMWFEESA-N 2 0 265.401 1.152 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)C1CC[NH+](C)CC1 ZINC000926942008 747246486 /nfs/dbraw/zinc/24/64/86/747246486.db2.gz LFKPIZNPORRAEU-HNKHHVNMSA-N 2 0 264.413 1.897 10 0 CDAERP C[N@H+](C[C@@H]1C[C@@H]2COC[C@@H]2O1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000724579404 747340973 /nfs/dbraw/zinc/34/09/73/747340973.db2.gz SRVVKTQOIBTUQM-VKFDKNKNSA-N 2 0 266.385 1.005 10 0 CDAERP Cn1cnc(CCC[NH2+][C@@H](CCC[NH3+])c2ccccc2)n1 ZINC000925705643 747399992 /nfs/dbraw/zinc/39/99/92/747399992.db2.gz LRUGNQMQEOJGOJ-HNNXBMFYSA-N 2 0 287.411 1.818 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)N2[C@@H](C)CCC[C@@H]2C)C[C@H]1CC[NH3+] ZINC000723886074 747437405 /nfs/dbraw/zinc/43/74/05/747437405.db2.gz GLNVOFQYHQSXSG-CBBWQLFWSA-N 2 0 281.444 1.693 10 0 CDAERP Cn1cnc(CC[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)c1 ZINC000925689293 747445209 /nfs/dbraw/zinc/44/52/09/747445209.db2.gz CGIJWIAOJLLTSW-RDBSUJKOSA-N 2 0 262.401 1.329 10 0 CDAERP C[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)C1CCCC1 ZINC000925852950 747458975 /nfs/dbraw/zinc/45/89/75/747458975.db2.gz IXAYNJYWTKGFNG-OCCSQVGLSA-N 2 0 280.412 1.840 10 0 CDAERP COCCC[N@H+](C)CCN[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925520818 747547909 /nfs/dbraw/zinc/54/79/09/747547909.db2.gz YIIIMVGONJDJQF-IRXDYDNUSA-N 2 0 297.487 1.713 10 0 CDAERP CCC[C@H](O)CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000927014474 747576402 /nfs/dbraw/zinc/57/64/02/747576402.db2.gz BXCZORDUYQCLAY-XQLPTFJDSA-N 2 0 254.418 2.000 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+][C@@H](CC(N)=O)C2CCOCC2)CC1(C)C ZINC000858154665 747579029 /nfs/dbraw/zinc/57/90/29/747579029.db2.gz OLNGODRITDDXRX-KGLIPLIRSA-N 2 0 297.443 1.119 10 0 CDAERP CO[C@H](CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C(F)(F)F ZINC000925646202 747785403 /nfs/dbraw/zinc/78/54/03/747785403.db2.gz UGFRJZJKBMJWDO-NCKSRDSBSA-N 2 0 278.318 1.540 10 0 CDAERP Cc1ccc([C@H](O)C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1 ZINC000923428758 747800681 /nfs/dbraw/zinc/80/06/81/747800681.db2.gz ZGUIWJCMOCFFAM-ARFHVFGLSA-N 2 0 260.381 1.570 10 0 CDAERP CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)NCCCCCC[NH3+] ZINC000843512757 747843171 /nfs/dbraw/zinc/84/31/71/747843171.db2.gz PMONMFOFENPZAL-IOASZLSFSA-N 2 0 297.443 1.154 10 0 CDAERP C[C@H](O)C[N@@H+](Cc1ccccc1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923306800 747852393 /nfs/dbraw/zinc/85/23/93/747852393.db2.gz QDWNIRPPAPPUSV-HOCLYGCPSA-N 2 0 290.407 1.248 10 0 CDAERP Cc1c[nH+]ccc1N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720870656 747870463 /nfs/dbraw/zinc/87/04/63/747870463.db2.gz KBCWKPVZAYKNQZ-UWVGGRQHSA-N 2 0 259.275 1.963 10 0 CDAERP CC1CC[NH+](CCCC[NH2+]C[C@@H](O)C2CC2)CC1 ZINC000818959136 747873006 /nfs/dbraw/zinc/87/30/06/747873006.db2.gz DPFNVJXWWSVDHF-OAHLLOKOSA-N 2 0 254.418 1.859 10 0 CDAERP COCC[N@H+](CC[C@H]1CC[NH2+]C1)CC1CC[NH+](C)CC1 ZINC000866673259 747874807 /nfs/dbraw/zinc/87/48/07/747874807.db2.gz SBRYKYXORUPMFR-OAHLLOKOSA-N 3 0 283.460 1.276 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)CN1C1CC1 ZINC000925798730 747875653 /nfs/dbraw/zinc/87/56/53/747875653.db2.gz RGOWTPPLQOYCGG-SYQHCUMBSA-N 3 0 251.418 1.447 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@]1(C)CCCCO1 ZINC000927013108 748029417 /nfs/dbraw/zinc/02/94/17/748029417.db2.gz JNCFXEAUFURPQO-IZGVIRRGSA-N 2 0 252.402 1.875 10 0 CDAERP Cn1c(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cnc1Cl ZINC000848526098 748042756 /nfs/dbraw/zinc/04/27/56/748042756.db2.gz XOBMZTIPWURJCW-UHFFFAOYSA-N 2 0 299.850 1.189 10 0 CDAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CC(=O)N(CC2CC2)C1 ZINC000925770242 748052300 /nfs/dbraw/zinc/05/23/00/748052300.db2.gz ICTVKTBIAIXIPO-KBMXLJTQSA-N 2 0 293.455 1.898 10 0 CDAERP CC1(C)C[C@@H]([NH2+]C[C@H](CO)[C@@H]2CCOC2)C[C@@H]([NH3+])C1 ZINC000925654279 748057861 /nfs/dbraw/zinc/05/78/61/748057861.db2.gz FSKOSZHAXDHZCD-SYQHCUMBSA-N 2 0 270.417 1.127 10 0 CDAERP CC1(C)CCC[C@@](CO)([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000859616650 748103288 /nfs/dbraw/zinc/10/32/88/748103288.db2.gz ZGXSSOMBZFBEAP-GOEBONIOSA-N 2 0 284.444 1.364 10 0 CDAERP C[C@@H]1C[N@H+](Cc2ccc3oc(=O)n(C)c3c2)CC[C@@H]1C[NH3+] ZINC000923489280 748155983 /nfs/dbraw/zinc/15/59/83/748155983.db2.gz IJYCIYLXTLMESA-DGCLKSJQSA-N 2 0 289.379 1.548 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CN2C[C@@H]1CCC2)N1CCC[C@@H](C)C1 ZINC000924666995 748169421 /nfs/dbraw/zinc/16/94/21/748169421.db2.gz HSBOSSJQBINRAR-LVQVYYBASA-N 2 0 265.445 1.791 10 0 CDAERP Cc1cc(C)cc(OCCN2CC[NH2+]CC[NH2+]CC2)c1 ZINC000923463569 748187372 /nfs/dbraw/zinc/18/73/72/748187372.db2.gz FUFGYTDIQBSUIY-UHFFFAOYSA-N 2 0 277.412 1.177 10 0 CDAERP COC(=O)c1cccc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC000923499534 748204051 /nfs/dbraw/zinc/20/40/51/748204051.db2.gz SFBQMKSOVKNOKI-IUODEOHRSA-N 2 0 276.380 1.890 10 0 CDAERP CN(CC[N@H+](C)CC1(O)CCCCC1)C1CC[NH+](C)CC1 ZINC000305687427 748206935 /nfs/dbraw/zinc/20/69/35/748206935.db2.gz QHCNALACCHGGEI-UHFFFAOYSA-N 2 0 297.487 1.639 10 0 CDAERP C[C@H](CC[NH+](C)C)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848927733 748209287 /nfs/dbraw/zinc/20/92/87/748209287.db2.gz MDPLOQMYLCVTQZ-KFWWJZLASA-N 2 0 253.434 1.933 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)C[C@@H]([NH3+])C2CC2)CC1 ZINC000715181526 748273378 /nfs/dbraw/zinc/27/33/78/748273378.db2.gz QFPSQHLYEXZKQS-CYBMUJFWSA-N 2 0 267.417 1.447 10 0 CDAERP C=C/C=C\CC[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923446704 748288111 /nfs/dbraw/zinc/28/81/11/748288111.db2.gz NHMIHWDWRDGHDM-NQHOJNORSA-N 2 0 250.386 1.949 10 0 CDAERP CC1(C)[C@@H](NCC2([NH3+])CCCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925708791 748301053 /nfs/dbraw/zinc/30/10/53/748301053.db2.gz DHPLEYGAKLUDMB-AGIUHOORSA-N 2 0 251.418 1.624 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000722396576 748332374 /nfs/dbraw/zinc/33/23/74/748332374.db2.gz ROYRMEJHEUFLTA-AXFHLTTASA-N 2 0 284.322 1.440 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCC2CC[NH+](CC3CC3)CC2)C1 ZINC000872306718 748388952 /nfs/dbraw/zinc/38/89/52/748388952.db2.gz UCUPAGDNMFUHBF-ZMSDIMECSA-N 2 0 291.439 1.352 10 0 CDAERP C[C@H](N[C@@H]1C[NH2+]CCC1(F)F)C1CC[NH+](C)CC1 ZINC000817980345 748395288 /nfs/dbraw/zinc/39/52/88/748395288.db2.gz KYBCZKZDHQJTSL-CMPLNLGQSA-N 2 0 261.360 1.304 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)CO1)C1C[NH2+]C1 ZINC000925736736 748469007 /nfs/dbraw/zinc/46/90/07/748469007.db2.gz ODQDDPIDTMVZIY-JSGCOSHPSA-N 2 0 268.401 1.160 10 0 CDAERP COC1CC(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000703817466 748469503 /nfs/dbraw/zinc/46/95/03/748469503.db2.gz GCIPDLXFWOHTQV-ZALBZXLWSA-N 2 0 252.402 1.875 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@]1(O)CCCc2ccccc21 ZINC000817914826 748487167 /nfs/dbraw/zinc/48/71/67/748487167.db2.gz YZBMDZFGFSTZHL-WBVHZDCISA-N 2 0 292.423 1.554 10 0 CDAERP C[NH+]1C[C@]2(C)CN(CC[NH+]3CCCCC3)C[C@@]2(C)C1 ZINC000931309109 748586382 /nfs/dbraw/zinc/58/63/82/748586382.db2.gz WGTNYYAWJHOLGE-HZPDHXFCSA-N 2 0 265.445 1.746 10 0 CDAERP CN1C[C@]2(C)C[N@@H+]([C@@H]3CCN(C(C)(C)C)C3=O)C[C@]2(C)C1 ZINC000931315965 748619182 /nfs/dbraw/zinc/61/91/82/748619182.db2.gz DZUGCJYEHXWIOS-XYPHTWIQSA-N 2 0 293.455 1.659 10 0 CDAERP C[N@@H+]1CCC[C@@H](CNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000810369266 748645653 /nfs/dbraw/zinc/64/56/53/748645653.db2.gz QASMXMRMOCUAMD-XJKSGUPXSA-N 2 0 299.434 1.657 10 0 CDAERP Cc1cc([C@@H](C)[NH2+]CCCCCN2CC[NH2+]CC2)no1 ZINC000925846147 748656289 /nfs/dbraw/zinc/65/62/89/748656289.db2.gz KRQYGOVPHRCHAF-CQSZACIVSA-N 2 0 280.416 1.709 10 0 CDAERP C([C@@H]1C[C@@H]2COC[C@@H]2O1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000724582712 748675939 /nfs/dbraw/zinc/67/59/39/748675939.db2.gz DBBBYERBZWSFII-UGUYLWEFSA-N 2 0 280.412 1.254 10 0 CDAERP C[NH+]1CCC([C@@H]2CC[N@H+](CN3C(=O)[C@@H]4CCC[C@@H]43)C2)CC1 ZINC000840038089 748805063 /nfs/dbraw/zinc/80/50/63/748805063.db2.gz SZLVHAYNYHFUCU-OAGGEKHMSA-N 2 0 291.439 1.619 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CCC(C)(C)CO1 ZINC000711241115 748806634 /nfs/dbraw/zinc/80/66/34/748806634.db2.gz WLPHXPVSNHHMOW-QWHCGFSZSA-N 2 0 258.406 1.535 10 0 CDAERP C[C@@H]1C[C@H](C)[N@H+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)C[C@@H]1C[NH3+] ZINC000724588877 748820791 /nfs/dbraw/zinc/82/07/91/748820791.db2.gz DIFMSGXNNRWDSH-QZOBBIQNSA-N 2 0 268.401 1.096 10 0 CDAERP CC1CC[NH+](CCCCNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC1 ZINC000870867592 748844561 /nfs/dbraw/zinc/84/45/61/748844561.db2.gz RPUNTEOSXVVHOO-VYDXJSESSA-N 2 0 293.455 1.742 10 0 CDAERP C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923513555 748854355 /nfs/dbraw/zinc/85/43/55/748854355.db2.gz JBTJJQJLCYXNNN-XLWJZTARSA-N 2 0 281.444 1.406 10 0 CDAERP C[C@@H](CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)[NH+]1CCC(C)CC1 ZINC000870874435 748879068 /nfs/dbraw/zinc/87/90/68/748879068.db2.gz BIHOUGPJXBHGQQ-FQLMCAECSA-N 2 0 279.428 1.350 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000711277936 748943463 /nfs/dbraw/zinc/94/34/63/748943463.db2.gz CUUQFVCGSIYIJU-ZDUSSCGKSA-N 2 0 267.417 1.223 10 0 CDAERP C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)OC1CC1 ZINC000929277382 748969210 /nfs/dbraw/zinc/96/92/10/748969210.db2.gz UKDORFOSVARZNO-UHFFFAOYSA-N 2 0 252.402 1.973 10 0 CDAERP CO[C@]1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CCSC1 ZINC000719312199 749056815 /nfs/dbraw/zinc/05/68/15/749056815.db2.gz BRDICUINJCKRPA-XQQFMLRXSA-N 2 0 258.431 1.581 10 0 CDAERP C[NH+](C)C1(C)CCC([NH2+]C[C@H](O)C(F)(F)F)CC1 ZINC000715584333 749071866 /nfs/dbraw/zinc/07/18/66/749071866.db2.gz HDTNMKITACDCGB-YVNMAJEFSA-N 2 0 268.323 1.762 10 0 CDAERP C[N@H+](CCOc1ccc(F)cc1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923302636 749072779 /nfs/dbraw/zinc/07/27/79/749072779.db2.gz YQWZRYUEHQDFSE-HNNXBMFYSA-N 2 0 294.370 1.515 10 0 CDAERP [NH3+]Cc1ccc(CNC(=O)C=C2CC[NH2+]CC2)cc1 ZINC000852895503 749105814 /nfs/dbraw/zinc/10/58/14/749105814.db2.gz ZKJOWMGQRBOIAV-UHFFFAOYSA-N 2 0 259.353 1.071 10 0 CDAERP Fc1ccc2c(c1)[C@@H](N1CC[NH2+]CC[NH2+]CC1)CCC2 ZINC000923460896 749117431 /nfs/dbraw/zinc/11/74/31/749117431.db2.gz XJSKCOBAEWSLGO-INIZCTEOSA-N 2 0 277.387 1.698 10 0 CDAERP C[NH+](C)C[C@](C)(O)C[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000721572969 749178112 /nfs/dbraw/zinc/17/81/12/749178112.db2.gz VJTJTBYAGCCMPB-GZBFAFLISA-N 2 0 272.433 1.482 10 0 CDAERP CC(C)[C@H]1CN(C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])CC[N@@H+]1C ZINC000872310569 749234657 /nfs/dbraw/zinc/23/46/57/749234657.db2.gz FFIOILMFGPYWIA-QLFBSQMISA-N 2 0 281.444 1.693 10 0 CDAERP O[C@H](C[NH2+]C[C@@H]1CCC12CCOCC2)C[NH+]1CCCC1 ZINC000872228658 749340453 /nfs/dbraw/zinc/34/04/53/749340453.db2.gz IRHDVZBCSLYPBQ-LSDHHAIUSA-N 2 0 282.428 1.240 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCNc2ccccn2)C1 ZINC000925624415 749342497 /nfs/dbraw/zinc/34/24/97/749342497.db2.gz XCMYNYMWNSDCNA-QWHCGFSZSA-N 2 0 262.401 1.989 10 0 CDAERP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H]2CCC3(COC3)O2)C1 ZINC000929762114 749365128 /nfs/dbraw/zinc/36/51/28/749365128.db2.gz CPADIEYHOSTRPO-CVEARBPZSA-N 2 0 294.439 1.598 10 0 CDAERP CC(C)[NH2+][C@H](CCN(C)C(=O)CC[NH+](C)C)C(C)C ZINC001506492007 975164850 /nfs/dbraw/zinc/16/48/50/975164850.db2.gz VORPMVKAOHPHDY-CQSZACIVSA-N 2 0 271.449 1.809 10 0 CDAERP CC[NH+](CC)CC[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001646947804 1168279824 /nfs/dbraw/zinc/27/98/24/1168279824.db2.gz ANVQXYRJERNICR-BFHYXJOUSA-N 2 0 284.448 1.499 10 0 CDAERP CC[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001567082435 1168552777 /nfs/dbraw/zinc/55/27/77/1168552777.db2.gz OOJXEJMWFJEZBQ-UONOGXRCSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001567198998 1168616805 /nfs/dbraw/zinc/61/68/05/1168616805.db2.gz RSCDFZUEJNBUHJ-CYBMUJFWSA-N 2 0 255.406 1.269 10 0 CDAERP Cc1nccn1CCC[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000699625127 914052460 /nfs/dbraw/zinc/05/24/60/914052460.db2.gz VLGWHNJSFIWMOJ-JSGCOSHPSA-N 2 0 250.390 1.498 10 0 CDAERP CC[C@H](C[NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCC1)OC ZINC001567542191 1168840510 /nfs/dbraw/zinc/84/05/10/1168840510.db2.gz RJZBOOXMFKJXJF-CQSZACIVSA-N 2 0 299.459 1.334 10 0 CDAERP CCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001267006703 896537827 /nfs/dbraw/zinc/53/78/27/896537827.db2.gz QMSBNOFLRQJHBT-UONOGXRCSA-N 2 0 267.417 1.461 10 0 CDAERP Cc1cccc(N2CC[NH+](C[C@H]3C[C@@H]([NH3+])C3)CC2)c1 ZINC000693559515 896644566 /nfs/dbraw/zinc/64/45/66/896644566.db2.gz MZIBQDRZQIVYMI-GASCZTMLSA-N 2 0 259.397 1.854 10 0 CDAERP CC(C)C[NH2+]CCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001267456018 897932350 /nfs/dbraw/zinc/93/23/50/897932350.db2.gz JWRDFSJUIROFSX-LSDHHAIUSA-N 2 0 283.460 1.811 10 0 CDAERP CC/C=C\CC[NH+]1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001267692013 899292843 /nfs/dbraw/zinc/29/28/43/899292843.db2.gz YZIKURUFDJPVQJ-PLNGDYQASA-N 2 0 293.455 1.733 10 0 CDAERP C[NH+](C)CC1(C(=O)NC2(C[NH2+]CCF)CCCC2)CC1 ZINC001267842385 899853498 /nfs/dbraw/zinc/85/34/98/899853498.db2.gz RVYDDXQJIZRYJV-UHFFFAOYSA-N 2 0 285.407 1.316 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@](C)(C[NH2+]CCC1CC1)C1CC1 ZINC001267847793 899866573 /nfs/dbraw/zinc/86/65/73/899866573.db2.gz CAQUDFDFHKCQHP-WBVHZDCISA-N 2 0 293.455 1.755 10 0 CDAERP CC[NH2+]CCC1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001267921142 899976942 /nfs/dbraw/zinc/97/69/42/899976942.db2.gz JGAVNLVJNXFBFY-UHFFFAOYSA-N 2 0 269.433 1.565 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)CC[NH2+]Cc1cccnc1C ZINC001481296834 900225945 /nfs/dbraw/zinc/22/59/45/900225945.db2.gz DRMTYIXXKAAPMC-UHFFFAOYSA-N 2 0 292.427 1.280 10 0 CDAERP CCC[NH2+]CC1CC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001282057427 901363631 /nfs/dbraw/zinc/36/36/31/901363631.db2.gz LJOXACNZJGJLGE-IYXRBSQSSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)C[NH2+]CC[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001268162591 901456840 /nfs/dbraw/zinc/45/68/40/901456840.db2.gz KODYVIHAIYPQER-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@H]1C[NH2+]CCF ZINC001268196981 901552970 /nfs/dbraw/zinc/55/29/70/901552970.db2.gz VSVJDWOKKMHFRV-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)CC[NH+]1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001481642111 901577708 /nfs/dbraw/zinc/57/77/08/901577708.db2.gz AYOXGBZZPUEZNA-UHFFFAOYSA-N 2 0 255.406 1.032 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1CCN(Cc2cnc(C)o2)C1 ZINC001481708999 901870580 /nfs/dbraw/zinc/87/05/80/901870580.db2.gz SHXUDASRQLJLII-CYBMUJFWSA-N 2 0 294.399 1.015 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001567764340 1168958399 /nfs/dbraw/zinc/95/83/99/1168958399.db2.gz UFSYPJLUKBJOMH-KGLIPLIRSA-N 2 0 267.417 1.461 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@](C)(C[NH2+]CC1CC1)C1CC1 ZINC001481940625 902381305 /nfs/dbraw/zinc/38/13/05/902381305.db2.gz JAEMZDNNPBHIEQ-HNNXBMFYSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)[NH2+]C/C=C\CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001268557838 902562448 /nfs/dbraw/zinc/56/24/48/902562448.db2.gz UXFBXAPRHZTVNM-WAYWQWQTSA-N 2 0 297.443 1.015 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NC/C=C/C[NH2+]CCCF)CC[N@@H+]1C ZINC001268580409 902664960 /nfs/dbraw/zinc/66/49/60/902664960.db2.gz AYFXWHNFLJHNAC-NVFZZLLCSA-N 2 0 285.407 1.338 10 0 CDAERP CC(C)[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001268601618 902807018 /nfs/dbraw/zinc/80/70/18/902807018.db2.gz DCQWTKACNKDSOX-CGXNLCPXSA-N 2 0 279.428 1.674 10 0 CDAERP C[C@H](F)CC[NH2+]CCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001268915017 903241962 /nfs/dbraw/zinc/24/19/62/903241962.db2.gz HMQDIHWWXZUBBO-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001269428248 903800261 /nfs/dbraw/zinc/80/02/61/903800261.db2.gz ITDRYMROZUADNM-ZDUSSCGKSA-N 2 0 267.417 1.508 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001270113022 904368319 /nfs/dbraw/zinc/36/83/19/904368319.db2.gz NACLTJPXUWBVAQ-KGLIPLIRSA-N 2 0 267.417 1.461 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]CCC1CC1)[NH+](C)C ZINC001270166409 904409891 /nfs/dbraw/zinc/40/98/91/904409891.db2.gz WBPQSCCDNHIZDS-LSDHHAIUSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H](C[NH2+]CC[C@H](C)F)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001482293806 904692595 /nfs/dbraw/zinc/69/25/95/904692595.db2.gz ZZLGIHITDAZYKR-QWHCGFSZSA-N 2 0 287.423 1.655 10 0 CDAERP C[C@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)C[NH2+]CCF ZINC001270558186 904728133 /nfs/dbraw/zinc/72/81/33/904728133.db2.gz BHKAHEXNQUGKLI-ZDUSSCGKSA-N 2 0 299.434 1.420 10 0 CDAERP C[C@@]1(C[NH2+]CCF)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001270726095 904991034 /nfs/dbraw/zinc/99/10/34/904991034.db2.gz AKCZCFHJKKRGCV-HOCLYGCPSA-N 2 0 297.418 1.126 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@](C)(C[NH2+]CCC2CC2)C1 ZINC001270823850 905101209 /nfs/dbraw/zinc/10/12/09/905101209.db2.gz QWMXFQBRUYIQTR-QGZVFWFLSA-N 2 0 295.471 1.957 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC1CC1 ZINC001482370354 905221136 /nfs/dbraw/zinc/22/11/36/905221136.db2.gz VNMZEBZVMJLQNF-HIFRSBDPSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001482439953 905424230 /nfs/dbraw/zinc/42/42/30/905424230.db2.gz YCXNRCCCZJIBIV-UONOGXRCSA-N 2 0 269.433 1.562 10 0 CDAERP CC(C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCC1CC1 ZINC001482518495 906750789 /nfs/dbraw/zinc/75/07/89/906750789.db2.gz PVQYLQICVJQGSO-CABCVRRESA-N 2 0 281.444 1.611 10 0 CDAERP C[C@H](F)CC[NH2+]CC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001272992630 921340249 /nfs/dbraw/zinc/34/02/49/921340249.db2.gz CNJRLMDAZUMURI-STQMWFEESA-N 2 0 287.423 1.561 10 0 CDAERP CCC[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001482596720 907779758 /nfs/dbraw/zinc/77/97/58/907779758.db2.gz DBPFRCLKAWPFDV-UONOGXRCSA-N 2 0 269.433 1.517 10 0 CDAERP CCN(CC[NH2+]C(C)C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001482947449 908531848 /nfs/dbraw/zinc/53/18/48/908531848.db2.gz OOBLJBKKQWUDAS-KBPBESRZSA-N 2 0 269.433 1.563 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2CCCC[C@@H]2[NH3+])C1 ZINC000062985484 1169092840 /nfs/dbraw/zinc/09/28/40/1169092840.db2.gz LAGYSRNPPYSRTH-RDBSUJKOSA-N 2 0 267.417 1.447 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC/C=C/C[NH2+]CC2CCCC2)C1 ZINC001483057767 909186875 /nfs/dbraw/zinc/18/68/75/909186875.db2.gz DWOHWCYDYRDILK-MBVDDHJVSA-N 2 0 293.455 1.780 10 0 CDAERP C[C@@H](CNC1=[NH+]CCCCN1)C[NH+]1CCCCC1 ZINC000697725994 909211614 /nfs/dbraw/zinc/21/16/14/909211614.db2.gz YNFBAHGGGVWNCC-ZDUSSCGKSA-N 2 0 252.406 1.437 10 0 CDAERP Cc1cc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[NH+](C)C)sn1 ZINC001409409495 910375724 /nfs/dbraw/zinc/37/57/24/910375724.db2.gz OGNAZGCSNPUYBK-NWDGAFQWSA-N 2 0 298.456 1.386 10 0 CDAERP C[C@H](C[N@H+](C)CCC(F)(F)F)NC(=O)C[NH+]1CCCC1 ZINC001483422810 911099338 /nfs/dbraw/zinc/09/93/38/911099338.db2.gz VYGLKBLPRTXBTJ-LLVKDONJSA-N 2 0 295.349 1.471 10 0 CDAERP CN(CCC[NH2+]CC1CC1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001483474391 911166676 /nfs/dbraw/zinc/16/66/76/911166676.db2.gz JOZKCTGSJWMTLS-CQSZACIVSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH2+]CC1CC(C)C1)C1CC1 ZINC001483606149 911311993 /nfs/dbraw/zinc/31/19/93/911311993.db2.gz AVRCYHNEOMOGQK-XUJLQICISA-N 2 0 295.471 1.857 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001484071627 915387347 /nfs/dbraw/zinc/38/73/47/915387347.db2.gz LWTXDVSYWQULDO-DZGCQCFKSA-N 2 0 285.407 1.411 10 0 CDAERP CC(C)=CC[NH2+]C[C@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001484111021 915439817 /nfs/dbraw/zinc/43/98/17/915439817.db2.gz UPCGFXDDOYSIOS-INIZCTEOSA-N 2 0 281.444 1.733 10 0 CDAERP CC[C@H](C[NH2+]C1(C)CCN(C(=O)CC[NH+](C)C)CC1)OC ZINC001484921371 916275792 /nfs/dbraw/zinc/27/57/92/916275792.db2.gz SHXCDFXONOXDCM-CQSZACIVSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001485213112 916676361 /nfs/dbraw/zinc/67/63/61/916676361.db2.gz ASQFBZCPICLGBM-QWHCGFSZSA-N 2 0 267.417 1.221 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CCCF ZINC001568208198 1169177690 /nfs/dbraw/zinc/17/76/90/1169177690.db2.gz MOWQYABNFAKRJQ-UONOGXRCSA-N 2 0 287.423 1.562 10 0 CDAERP CCN(C(=O)C[NH+]1CC[C@H](C)C1)[C@@H]1CC[N@H+](CCCF)C1 ZINC001367070965 918159228 /nfs/dbraw/zinc/15/92/28/918159228.db2.gz KXPVAFYZKUWZLP-LSDHHAIUSA-N 2 0 299.434 1.611 10 0 CDAERP CC(C)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001485914217 920573578 /nfs/dbraw/zinc/57/35/78/920573578.db2.gz JDNUQVNSPOEOES-ILXRZTDVSA-N 2 0 283.460 1.809 10 0 CDAERP CC/C=C/CC[NH2+][C@@H](C)CN(C)C(=O)Cn1cncc1C ZINC001485900014 920588532 /nfs/dbraw/zinc/58/85/32/920588532.db2.gz MRARJAQROZNVGD-UZYOAWRESA-N 2 0 292.427 1.984 10 0 CDAERP CC/C=C/CC[NH2+][C@H](C)CN(C)C(=O)Cn1cncc1C ZINC001485900012 920588794 /nfs/dbraw/zinc/58/87/94/920588794.db2.gz MRARJAQROZNVGD-PSKZRQQASA-N 2 0 292.427 1.984 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC(C)C ZINC001485960726 920628026 /nfs/dbraw/zinc/62/80/26/920628026.db2.gz KYEGBSWFQTUKJV-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)[C@@H](CC)[NH+](C)C)CCC1 ZINC001273105753 921995794 /nfs/dbraw/zinc/99/57/94/921995794.db2.gz FBBRSISLHDWUGV-CYBMUJFWSA-N 2 0 269.433 1.755 10 0 CDAERP CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CCC[C@@H](C)O)C1)[NH+](C)C ZINC001494239681 923344814 /nfs/dbraw/zinc/34/48/14/923344814.db2.gz FWRLFSAKQIXOHO-ILXRZTDVSA-N 2 0 299.459 1.068 10 0 CDAERP CC[NH+](CC)CCC[NH2+][C@@H](CC(=O)OC)C1CC1 ZINC001193251027 923566228 /nfs/dbraw/zinc/56/62/28/923566228.db2.gz TXBUBBMLEUVHIW-ZDUSSCGKSA-N 2 0 256.390 1.650 10 0 CDAERP CC[N@@H+](Cc1cccs1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923301673 923725226 /nfs/dbraw/zinc/72/52/26/923725226.db2.gz JYTVBCLBYVUFBK-LBPRGKRZSA-N 2 0 266.410 1.949 10 0 CDAERP C(C[NH2+]C1CC1)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000923364068 923778670 /nfs/dbraw/zinc/77/86/70/923778670.db2.gz GRWVMANCAUIYGE-HNNXBMFYSA-N 3 0 251.418 1.593 10 0 CDAERP CCCCc1nc(CN2CC[NH2+]CC[NH2+]CC2)cs1 ZINC000923463383 923851149 /nfs/dbraw/zinc/85/11/49/923851149.db2.gz RMJNXRJPSNUAMZ-UHFFFAOYSA-N 2 0 282.457 1.481 10 0 CDAERP C[C@H](CC[NH2+]Cc1nccs1)NC(=O)C[NH+]1CCCC1 ZINC001273182702 923893035 /nfs/dbraw/zinc/89/30/35/923893035.db2.gz CCSMHLLIQREZLZ-GFCCVEGCSA-N 2 0 296.440 1.223 10 0 CDAERP CC[C@H](C)[C@H](C)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC001196293373 924868950 /nfs/dbraw/zinc/86/89/50/924868950.db2.gz JZZLDFDQRDJWMQ-KCQAQPDRSA-N 2 0 254.418 1.952 10 0 CDAERP CC(C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001488879307 926748579 /nfs/dbraw/zinc/74/85/79/926748579.db2.gz ADDKSNNJNSEPCE-BZUAXINKSA-N 2 0 295.471 2.000 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)CC)CC[N@@H+]1CCF ZINC001489139771 926811714 /nfs/dbraw/zinc/81/17/14/926811714.db2.gz WKSPKNMFIBZSLT-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP CC[N@H+](CCCNC(=O)Cc1[nH]cnc1C)CC(C)C ZINC001490356232 927153922 /nfs/dbraw/zinc/15/39/22/927153922.db2.gz CPGDIONXGZDNQW-UHFFFAOYSA-N 2 0 280.416 1.745 10 0 CDAERP CC[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)CC1CC1 ZINC001490355594 927155220 /nfs/dbraw/zinc/15/52/20/927155220.db2.gz OBUYBUDXXZRNLV-UHFFFAOYSA-N 2 0 279.428 1.320 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]([NH2+]CC)C2CC2)C1 ZINC001490700151 927310646 /nfs/dbraw/zinc/31/06/46/927310646.db2.gz PIENDQHPIIWKCJ-CABCVRRESA-N 2 0 281.444 1.613 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(C[C@H]2CCCC[NH2+]C2)C1 ZINC000696989054 937275821 /nfs/dbraw/zinc/27/58/21/937275821.db2.gz JKJNAQSYNLPHAJ-GJZGRUSLSA-N 2 0 253.434 1.792 10 0 CDAERP CC[C@H](C(=O)NC/C=C\C[NH2+]Cc1ccns1)[NH+](C)C ZINC001274125962 931184883 /nfs/dbraw/zinc/18/48/83/931184883.db2.gz WFJGFSDCTBXPJT-CFHLNLSMSA-N 2 0 296.440 1.245 10 0 CDAERP CC(C)[NH2+]C/C=C\CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001274367594 931494416 /nfs/dbraw/zinc/49/44/16/931494416.db2.gz CKVIGRIKJVYBJD-MWWKQMNYSA-N 2 0 299.434 1.869 10 0 CDAERP C[C@H](C[NH2+]CC[C@H](C)F)NC(=O)C1([NH+](C)C)CCC1 ZINC001274787588 931578169 /nfs/dbraw/zinc/57/81/69/931578169.db2.gz PCVUIZDRTAZBQU-NWDGAFQWSA-N 2 0 273.396 1.313 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]CC[C@@H](C)F)[NH+](C)C ZINC001275190422 931693770 /nfs/dbraw/zinc/69/37/70/931693770.db2.gz TUQJVRXWTHGLFY-AGIUHOORSA-N 2 0 275.412 1.415 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC=C(C)C ZINC001275530433 931858453 /nfs/dbraw/zinc/85/84/53/931858453.db2.gz VWHZNMVEPVJXCA-KGLIPLIRSA-N 2 0 269.433 1.777 10 0 CDAERP CCC[NH+]1CCC(NC(=O)C2([NH+](C)C)CCCC2)CC1 ZINC001412370956 932393593 /nfs/dbraw/zinc/39/35/93/932393593.db2.gz IXEVJPIUKOIKJL-UHFFFAOYSA-N 2 0 281.444 1.851 10 0 CDAERP CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC001118205838 937602811 /nfs/dbraw/zinc/60/28/11/937602811.db2.gz SRFPQALKVTYIJP-CHWSQXEVSA-N 2 0 253.390 1.057 10 0 CDAERP CCC[NH+]1CCC([N@H+](C)C[C@@H]2C[C@@H]3COC[C@H]3O2)CC1 ZINC000929776989 933267792 /nfs/dbraw/zinc/26/77/92/933267792.db2.gz DZMCASOLTUNAMW-VNQPRFMTSA-N 2 0 282.428 1.597 10 0 CDAERP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000162065810 935659587 /nfs/dbraw/zinc/65/95/87/935659587.db2.gz SMQMWNJIIWSGGE-XQQFMLRXSA-N 2 0 255.406 1.336 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(CC[NH3+])cc1 ZINC000226083647 935886734 /nfs/dbraw/zinc/88/67/34/935886734.db2.gz FQJDHALGPKZUFN-AWEZNQCLSA-N 2 0 261.369 1.012 10 0 CDAERP C[C@@H](CC[NH2+]CCCF)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001568632973 1169409169 /nfs/dbraw/zinc/40/91/69/1169409169.db2.gz USNTWXLFEBNDQC-JSGCOSHPSA-N 2 0 285.407 1.172 10 0 CDAERP Cc1oncc1C[NH2+]CC[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001568710066 1169440722 /nfs/dbraw/zinc/44/07/22/1169440722.db2.gz IDCKNOHYQFAHDS-LBPRGKRZSA-N 2 0 294.399 1.063 10 0 CDAERP Cc1cc(C[NH2+]CC[C@H](C)NC(=O)C[N@H+](C)C(C)C)no1 ZINC001568714005 1169442866 /nfs/dbraw/zinc/44/28/66/1169442866.db2.gz MNVSNWVMSHCSME-LBPRGKRZSA-N 2 0 296.415 1.308 10 0 CDAERP CN(CC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)Cc1ccccc1 ZINC000405392487 940986075 /nfs/dbraw/zinc/98/60/75/940986075.db2.gz HEQPZDMYHYWRIE-HZPDHXFCSA-N 2 0 273.424 1.978 10 0 CDAERP COCC[N@H+](CC1CC[NH+](C)CC1)C[C@@H]1CCCC[C@H]1O ZINC001473703156 970836189 /nfs/dbraw/zinc/83/61/89/970836189.db2.gz YFEJQRNWQDWXKO-DLBZAZTESA-N 2 0 298.471 1.828 10 0 CDAERP C[C@H](CCC[NH2+]CCF)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001277217230 942185274 /nfs/dbraw/zinc/18/52/74/942185274.db2.gz IBQSLHGPPPMANT-OLZOCXBDSA-N 2 0 273.396 1.315 10 0 CDAERP CCC[NH2+]CC[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001280072274 942416570 /nfs/dbraw/zinc/41/65/70/942416570.db2.gz CQBFFGQAJVQBAF-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCCC2CC[NH+](C)CC2)C1 ZINC001362112065 970901119 /nfs/dbraw/zinc/90/11/19/970901119.db2.gz LMCAZDHMYMJFHH-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP CCCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001281672340 942607364 /nfs/dbraw/zinc/60/73/64/942607364.db2.gz AKTPJLWWJVOFIR-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP C[C@@H](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CCCF ZINC001281714265 942613343 /nfs/dbraw/zinc/61/33/43/942613343.db2.gz RBTIYFQKKUDDIO-GXTWGEPZSA-N 2 0 285.407 1.172 10 0 CDAERP COCCC[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001282478816 942720726 /nfs/dbraw/zinc/72/07/26/942720726.db2.gz QZVSLFTZZKXXCQ-OAHLLOKOSA-N 2 0 299.459 1.191 10 0 CDAERP CC[NH+]1CCC([C@@H](C)NC(=O)C[NH+]2CCCC2)CC1 ZINC001284702883 943246205 /nfs/dbraw/zinc/24/62/05/943246205.db2.gz ZASZWAFMAXGCTK-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001649926235 1169503755 /nfs/dbraw/zinc/50/37/55/1169503755.db2.gz MKUJFTUHDNJWLQ-QWHCGFSZSA-N 2 0 282.432 1.253 10 0 CDAERP CC[N@H+](C)CCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001265058415 944218010 /nfs/dbraw/zinc/21/80/10/944218010.db2.gz TXVZHSNEYPWEOD-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP COCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001265301452 944332372 /nfs/dbraw/zinc/33/23/72/944332372.db2.gz KYKSOFDQNAACIB-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]([NH2+]CCCF)C2CC2)C1 ZINC001265370220 944362669 /nfs/dbraw/zinc/36/26/69/944362669.db2.gz MZTZXPJEFIJQHU-JSGCOSHPSA-N 2 0 285.407 1.172 10 0 CDAERP COCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001265553597 944427995 /nfs/dbraw/zinc/42/79/95/944427995.db2.gz VZTDFWMDYLQPLN-ZNMIVQPWSA-N 2 0 297.443 1.134 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CC2)C1 ZINC001265572637 944433282 /nfs/dbraw/zinc/43/32/82/944433282.db2.gz KNRYMIRGLDFNMP-OKILXGFUSA-N 2 0 267.417 1.364 10 0 CDAERP C[C@@H](O)CCC[NH2+]C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001265681637 944468404 /nfs/dbraw/zinc/46/84/04/944468404.db2.gz DRVQYCTUGNRZFN-HUUCEWRRSA-N 2 0 299.459 1.070 10 0 CDAERP CC(C)OCC[NH2+][C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001265794620 944511398 /nfs/dbraw/zinc/51/13/98/944511398.db2.gz SPDAHLSBGUEZRX-CQSZACIVSA-N 2 0 297.443 1.134 10 0 CDAERP CC(C)CC[NH2+][C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001265823389 944526827 /nfs/dbraw/zinc/52/68/27/944526827.db2.gz HBJSAUUZNWYKSS-ZIAGYGMSSA-N 2 0 269.433 1.469 10 0 CDAERP C[C@@H](O)C[N@H+](C)[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001266116687 944689941 /nfs/dbraw/zinc/68/99/41/944689941.db2.gz LYLRUESGEXWPMF-HUUCEWRRSA-N 2 0 299.459 1.022 10 0 CDAERP CC(C)OCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H]1C ZINC001278323761 946149977 /nfs/dbraw/zinc/14/99/77/946149977.db2.gz AOMRAMPBAHTJLF-HUUCEWRRSA-N 2 0 297.443 1.086 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC[N@@H+]1C ZINC001362388279 971218220 /nfs/dbraw/zinc/21/82/20/971218220.db2.gz DAJVOKKWLVDCSM-YDHLFZDLSA-N 2 0 299.484 1.270 10 0 CDAERP C[NH+](C)C1(C(=O)NC2CC[NH+](C3CCC3)CC2)CCCC1 ZINC001362447570 971284066 /nfs/dbraw/zinc/28/40/66/971284066.db2.gz BHTJFLRTDUCZSY-UHFFFAOYSA-N 2 0 293.455 1.994 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCCCCF)C1 ZINC001479284027 971288050 /nfs/dbraw/zinc/28/80/50/971288050.db2.gz BLWDPGULEHMALR-ZNMIVQPWSA-N 2 0 299.434 1.705 10 0 CDAERP CC[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCC[NH+](C(C)C)C1 ZINC001362486683 971329589 /nfs/dbraw/zinc/32/95/89/971329589.db2.gz LCKNCKOJSXDDBS-GJZGRUSLSA-N 2 0 281.444 1.659 10 0 CDAERP CCC[NH2+]C/C=C/CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001568968719 1169568077 /nfs/dbraw/zinc/56/80/77/1169568077.db2.gz AGEFIQSRWKPJRD-DLPZHFSESA-N 2 0 267.417 1.531 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC001362612411 971456357 /nfs/dbraw/zinc/45/63/57/971456357.db2.gz NTMHIGFNHLXVHH-ZBFHGGJFSA-N 2 0 295.471 1.765 10 0 CDAERP CC(C)CNC(=O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC001257445013 948600774 /nfs/dbraw/zinc/60/07/74/948600774.db2.gz SMNGUXUZDUIEJW-BFHYXJOUSA-N 2 0 267.417 1.221 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001479964505 971513593 /nfs/dbraw/zinc/51/35/93/971513593.db2.gz XZEXKUHHYQZISJ-JSMHICHCSA-N 2 0 281.444 1.873 10 0 CDAERP C[NH+](C)[C@@H]1C[C@H](NC(=O)CC[N@@H+]2CC[C@H](F)C2)C1(C)C ZINC001362827246 971648544 /nfs/dbraw/zinc/64/85/44/971648544.db2.gz MMYUAADDSVIYKA-RWMBFGLXSA-N 2 0 285.407 1.265 10 0 CDAERP C[NH+]1CCC(C(=O)NC2CCC([NH2+]CCCF)CC2)CC1 ZINC001480407778 971707417 /nfs/dbraw/zinc/70/74/17/971707417.db2.gz HCBUNVMMBZBOKW-UHFFFAOYSA-N 2 0 299.434 1.705 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)[NH2+]CCC1CCOCC1)[NH+](C)C ZINC001480487025 971751947 /nfs/dbraw/zinc/75/19/47/971751947.db2.gz QZXMQZZIYLTMMP-UKRRQHHQSA-N 2 0 299.459 1.238 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001278677985 951604160 /nfs/dbraw/zinc/60/41/60/951604160.db2.gz MUYJRLMDQPYZKF-HNNXBMFYSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001480623187 971813071 /nfs/dbraw/zinc/81/30/71/971813071.db2.gz XHHPCYAOBSRPEO-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@H](C(=O)N1CC[C@H](C[NH2+]CC=C(C)C)C1)[NH+](C)C ZINC001480674503 971835243 /nfs/dbraw/zinc/83/52/43/971835243.db2.gz REKZPKHNHABABS-HUUCEWRRSA-N 2 0 281.444 1.731 10 0 CDAERP CC[C@H](C[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1)OC ZINC001480683882 971836521 /nfs/dbraw/zinc/83/65/21/971836521.db2.gz TUDMDRKOUKIFLE-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@@H](C[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1)OC ZINC001480683879 971836817 /nfs/dbraw/zinc/83/68/17/971836817.db2.gz TUDMDRKOUKIFLE-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001363182311 971952122 /nfs/dbraw/zinc/95/21/22/971952122.db2.gz BHIOLASEQAUOHS-SOUVJXGZSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]C/C=C/Cl ZINC001325562548 953963670 /nfs/dbraw/zinc/96/36/70/953963670.db2.gz UDTVAIKVWNYFMX-PBYRWIMMSA-N 2 0 287.835 1.375 10 0 CDAERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C[NH2+]CC1CC1 ZINC001325584020 953973398 /nfs/dbraw/zinc/97/33/98/953973398.db2.gz YMOJKSBQQYBNNG-HOCLYGCPSA-N 2 0 295.471 1.812 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001364348534 954486469 /nfs/dbraw/zinc/48/64/69/954486469.db2.gz PVWXTTLUPMRYEX-HZPDHXFCSA-N 2 0 283.460 1.371 10 0 CDAERP C[N@@H+]1C[C@]23C[NH+](CC[C@@H]4CCOC4=O)C[C@@]2(C1)CCCC3 ZINC001363311138 972075610 /nfs/dbraw/zinc/07/56/10/972075610.db2.gz JORATXLMFKUVLX-OIISXLGYSA-N 2 0 292.423 1.747 10 0 CDAERP CC(C)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001493613878 972089775 /nfs/dbraw/zinc/08/97/75/972089775.db2.gz QGJPGTKAQGAKOH-HNNXBMFYSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC1CC(F)(F)C1 ZINC001491673268 955379953 /nfs/dbraw/zinc/37/99/53/955379953.db2.gz LFHKVEBIJQJSGY-PWSUYJOCSA-N 2 0 289.370 1.078 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCC(C)(C)C ZINC001491674846 955385034 /nfs/dbraw/zinc/38/50/34/955385034.db2.gz XDHOXFIKCODRHB-CHWSQXEVSA-N 2 0 269.433 1.469 10 0 CDAERP C[N@H+](CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[NH+](CCF)C2)C1CCC1 ZINC001421516143 955385701 /nfs/dbraw/zinc/38/57/01/955385701.db2.gz RYKBJLBWALPXFS-YDHLFZDLSA-N 2 0 297.418 1.409 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001491848001 955467150 /nfs/dbraw/zinc/46/71/50/955467150.db2.gz OUFVRTJHMYAJKH-ZIAGYGMSSA-N 2 0 297.418 1.268 10 0 CDAERP CC(C)=CC[NH2+][C@@H]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001491887440 955492185 /nfs/dbraw/zinc/49/21/85/955492185.db2.gz YDECCDBCOPWPAZ-CABCVRRESA-N 2 0 281.444 1.921 10 0 CDAERP C[C@H](F)CC[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CCC1 ZINC001421765859 955532324 /nfs/dbraw/zinc/53/23/24/955532324.db2.gz KLIVFFBVOYNQBY-KBPBESRZSA-N 2 0 299.434 1.705 10 0 CDAERP CC(C)CC[NH2+]CC1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001328942389 955567743 /nfs/dbraw/zinc/56/77/43/955567743.db2.gz XPJDZMYTJICGCQ-FHERZECASA-N 2 0 295.471 1.859 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1cncs1 ZINC001421983555 955687726 /nfs/dbraw/zinc/68/77/26/955687726.db2.gz FRLOLJNHBUBYCO-GFCCVEGCSA-N 2 0 298.456 1.421 10 0 CDAERP C[N@@H+]1C[C@]23C[NH+](CCc4cn[nH]c4)C[C@@]2(C1)CCCC3 ZINC001365347455 955937836 /nfs/dbraw/zinc/93/78/36/955937836.db2.gz PHJVCNYVQYSVQC-IYBDPMFKSA-N 2 0 274.412 1.760 10 0 CDAERP CC(C)=CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001329523046 955967922 /nfs/dbraw/zinc/96/79/22/955967922.db2.gz JBOPTLLSACLSLE-CABCVRRESA-N 2 0 281.444 1.873 10 0 CDAERP C[NH+](C)CC1(C(=O)NCCC[N@H+](C)CC2CCCC2)CC1 ZINC001316844855 956244931 /nfs/dbraw/zinc/24/49/31/956244931.db2.gz FEDUPSSRVPDNKP-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001365806581 956379214 /nfs/dbraw/zinc/37/92/14/956379214.db2.gz IBAUDZWFPNNVHC-ZNMIVQPWSA-N 2 0 281.444 1.611 10 0 CDAERP CC[C@@H](C)C[N@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001422945757 956465924 /nfs/dbraw/zinc/46/59/24/956465924.db2.gz HMYLHDMVOKMCLH-CABCVRRESA-N 2 0 295.471 1.907 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC2CC(C)C2)C1 ZINC001366008061 956506262 /nfs/dbraw/zinc/50/62/62/956506262.db2.gz ZGQQBIMIKFILBE-YMAMQOFZSA-N 2 0 281.444 1.563 10 0 CDAERP CC[C@]1(C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)CC[NH2+]C1 ZINC001330647504 956539820 /nfs/dbraw/zinc/53/98/20/956539820.db2.gz FIHZMDZBTWYZHO-HIFRSBDPSA-N 2 0 267.417 1.175 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@H]2C[C@@H]([NH2+]CCC3CC3)C2)CC1 ZINC001366153364 956606712 /nfs/dbraw/zinc/60/67/12/956606712.db2.gz CZJPQEAWTNAMRR-OKILXGFUSA-N 2 0 279.428 1.365 10 0 CDAERP C[C@@H]1CC[C@@H](C[N@H+](C)CCCNC(=O)C[NH+]2CCCC2)O1 ZINC001316865636 956767282 /nfs/dbraw/zinc/76/72/82/956767282.db2.gz ODRSGEBRRBBIGN-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCC1CC1 ZINC001366365776 956773055 /nfs/dbraw/zinc/77/30/55/956773055.db2.gz KXNCEGDSMBYLIL-ZFWWWQNUSA-N 2 0 281.444 1.755 10 0 CDAERP CC[N@H+](C)CCOCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001331134383 956841905 /nfs/dbraw/zinc/84/19/05/956841905.db2.gz VTRCPBUBEZKSPJ-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)CC[NH2+]C1CC(N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001423698866 956947114 /nfs/dbraw/zinc/94/71/14/956947114.db2.gz XKUHRYMVAFEMDB-QQFBHYJXSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@@H]1CCC[C@H](CC[NH+]2CC(NC(=O)CC[NH+](C)C)C2)C1 ZINC001494441083 972233413 /nfs/dbraw/zinc/23/34/13/972233413.db2.gz FXRYEYKNQAUMAO-HUUCEWRRSA-N 2 0 295.471 1.955 10 0 CDAERP COCCC[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001316844685 957071462 /nfs/dbraw/zinc/07/14/62/957071462.db2.gz BMEWZKJCBDEQBY-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC[NH+](C)CC1CC1 ZINC001316871735 957080965 /nfs/dbraw/zinc/08/09/65/957080965.db2.gz ZWIISERXMRJDBN-OKILXGFUSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CCF)CC1 ZINC001424254793 957172971 /nfs/dbraw/zinc/17/29/71/957172971.db2.gz ASUZRQCFUDCXOO-CYBMUJFWSA-N 2 0 273.396 1.267 10 0 CDAERP CCCC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001366848726 957222275 /nfs/dbraw/zinc/22/22/75/957222275.db2.gz BHGQHPYZXXOXKI-CABCVRRESA-N 2 0 281.444 1.566 10 0 CDAERP CCCCOCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001317084069 957259081 /nfs/dbraw/zinc/25/90/81/957259081.db2.gz ZCDVUVPXTQITSW-RBSFLKMASA-N 2 0 297.443 1.134 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](CC[C@H](C)F)C1 ZINC001366913577 957267092 /nfs/dbraw/zinc/26/70/92/957267092.db2.gz XDMUEJFCFVAUOK-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@@H](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CCC1CC1 ZINC001424573562 957278903 /nfs/dbraw/zinc/27/89/03/957278903.db2.gz CVBBCFVPYCSJLV-XJKSGUPXSA-N 2 0 293.455 1.613 10 0 CDAERP [NH3+][C@@H]1CC=C(c2nc([C@@H]3C[NH+]4CCC3CC4)no2)C1 ZINC001331845957 957295784 /nfs/dbraw/zinc/29/57/84/957295784.db2.gz ARZGRNKPZSWKJU-VXGBXAGGSA-N 2 0 260.341 1.383 10 0 CDAERP CN(CC(C)(C)C[NH2+]C[C@@H]1CCOC1)C(=O)CC[NH+](C)C ZINC001424883234 957391512 /nfs/dbraw/zinc/39/15/12/957391512.db2.gz HWHHQSMEZOTRPY-AWEZNQCLSA-N 2 0 299.459 1.049 10 0 CDAERP CC[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@H]12 ZINC001332116034 957439089 /nfs/dbraw/zinc/43/90/89/957439089.db2.gz GSUPOVBSZZTIOU-ZFWWWQNUSA-N 2 0 267.417 1.460 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCCF)[C@H]2C1 ZINC001332148677 957451164 /nfs/dbraw/zinc/45/11/64/957451164.db2.gz SFYSYCASKUEKBJ-KKUMJFAQSA-N 2 0 299.434 1.514 10 0 CDAERP C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC1CCC1 ZINC001317414794 957460837 /nfs/dbraw/zinc/46/08/37/957460837.db2.gz YOICIYGYISPPSI-JSGCOSHPSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@H]2C[NH+](CCF)C[C@@H]2C1 ZINC001425385930 957523311 /nfs/dbraw/zinc/52/33/11/957523311.db2.gz WOGXNZYAAGJBPG-SOUVJXGZSA-N 2 0 299.434 1.513 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001425492377 957542639 /nfs/dbraw/zinc/54/26/39/957542639.db2.gz KOBGEJBAKRGGCT-ZBFHGGJFSA-N 2 0 295.471 1.811 10 0 CDAERP C[C@@H]1COCCN1CC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC001332419276 957556087 /nfs/dbraw/zinc/55/60/87/957556087.db2.gz BRGWZBJPCOOZOJ-RDBSUJKOSA-N 2 0 269.433 1.203 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCF ZINC001425559615 957568542 /nfs/dbraw/zinc/56/85/42/957568542.db2.gz MWNSGQQPEUNEOV-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP Cc1ccc(F)cc1C[NH2+]CCN(C)C(=O)CC[NH+](C)C ZINC001317623722 957606862 /nfs/dbraw/zinc/60/68/62/957606862.db2.gz OCKXADJNLPPVNR-UHFFFAOYSA-N 2 0 295.402 1.634 10 0 CDAERP C[C@H]1[C@H]([NH2+]CCC(C)(C)C)CCN1C(=O)CC[NH+](C)C ZINC001425881429 957632484 /nfs/dbraw/zinc/63/24/84/957632484.db2.gz KFHDGSZGUCSARU-UONOGXRCSA-N 2 0 283.460 1.953 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@]23CCC[C@H]2[N@H+](CCF)CC3)CC1 ZINC001425925334 957644938 /nfs/dbraw/zinc/64/49/38/957644938.db2.gz UZDZBIFIKATFHZ-CJNGLKHVSA-N 2 0 297.418 1.411 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CCF ZINC001367161310 957818933 /nfs/dbraw/zinc/81/89/33/957818933.db2.gz FPEGDIRTWCOXFN-RWMBFGLXSA-N 2 0 273.396 1.171 10 0 CDAERP C[NH2+]C[C@H](C)CN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC001332876130 957908586 /nfs/dbraw/zinc/90/85/86/957908586.db2.gz CUSGWRNVXUMIAO-CFVMTHIKSA-N 2 0 253.434 1.600 10 0 CDAERP CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]C(C)C)[NH+](CC)CC ZINC001367375887 957977119 /nfs/dbraw/zinc/97/71/19/957977119.db2.gz ASFGPMDHASGIKQ-KBPBESRZSA-N 2 0 271.449 1.952 10 0 CDAERP CC/C=C\CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001318216380 957980892 /nfs/dbraw/zinc/98/08/92/957980892.db2.gz NQJMDLWZWVOZKO-LUNKNMTDSA-N 2 0 279.428 1.580 10 0 CDAERP C[NH+](C)[C@@H]1CCCN(Cc2cnn(CCF)c2)CC1 ZINC001332990603 957998676 /nfs/dbraw/zinc/99/86/76/957998676.db2.gz LXOXNMFMAWNJAW-CQSZACIVSA-N 2 0 268.380 1.769 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CCCCC1 ZINC001367451498 958019644 /nfs/dbraw/zinc/01/96/44/958019644.db2.gz WEQFLPWLFKTUNR-LSDHHAIUSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CCC1CC1 ZINC001367500227 958065377 /nfs/dbraw/zinc/06/53/77/958065377.db2.gz YMSGMTUPCKRRDD-HNNXBMFYSA-N 2 0 281.444 1.613 10 0 CDAERP CN(CC[N@H+](C)Cc1ccccc1)C(=O)C[NH+]1CCCC1 ZINC001367553663 958132139 /nfs/dbraw/zinc/13/21/39/958132139.db2.gz QHMLBPZOKIHKDC-UHFFFAOYSA-N 2 0 289.423 1.673 10 0 CDAERP CCC[NH2+]C[C@](C)(NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001318699611 958235025 /nfs/dbraw/zinc/23/50/25/958235025.db2.gz XOCSUIXNIPGXKA-XPKDYRNWSA-N 2 0 281.444 1.611 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1nc(C)cs1)[NH+](C)C ZINC001367741727 958286415 /nfs/dbraw/zinc/28/64/15/958286415.db2.gz SQTGPNJYBAQWGA-CMPLNLGQSA-N 2 0 298.456 1.386 10 0 CDAERP C[C@H](C[N@H+](C)CC1CC(C)(C)C1)NC(=O)C[NH+]1CCCC1 ZINC001367856099 958434272 /nfs/dbraw/zinc/43/42/72/958434272.db2.gz LYKMOELPCWIMKD-CQSZACIVSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001319487019 958589509 /nfs/dbraw/zinc/58/95/09/958589509.db2.gz UDWQPOTXNDGFHR-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP COCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001319540804 958618903 /nfs/dbraw/zinc/61/89/03/958618903.db2.gz NPBSSWFQPKJALR-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP CCCCC[NH2+]C[C@@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001319561604 958631186 /nfs/dbraw/zinc/63/11/86/958631186.db2.gz XYMFIKUHFQPFMZ-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP CC[N@H+](C)CCC(=O)NCC1([NH2+]CC(C)C)CCOCC1 ZINC001368238931 958725164 /nfs/dbraw/zinc/72/51/64/958725164.db2.gz XZSGZYUAKRSTBB-UHFFFAOYSA-N 2 0 299.459 1.239 10 0 CDAERP C[C@H](NC(=[NH2+])NCCC1CC[NH+](C)CC1)C1CC1 ZINC001334364593 959057987 /nfs/dbraw/zinc/05/79/87/959057987.db2.gz IKVKGQLYBFRHGL-NSHDSACASA-N 2 0 252.406 1.631 10 0 CDAERP C[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]C/C=C\Cl ZINC001368710120 959070711 /nfs/dbraw/zinc/07/07/11/959070711.db2.gz ROIIFYKTCSPAFM-OCWOOEOGSA-N 2 0 273.808 1.318 10 0 CDAERP CC[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccccn1)[NH+](C)C ZINC001368725136 959083872 /nfs/dbraw/zinc/08/38/72/959083872.db2.gz YRZZWZKJVQDCNT-DZGCQCFKSA-N 2 0 292.427 1.406 10 0 CDAERP CO[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1C ZINC001368766534 959113290 /nfs/dbraw/zinc/11/32/90/959113290.db2.gz HJDPIVYTRQLUPI-MJBXVCDLSA-N 2 0 297.443 1.085 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@H]1C ZINC001368797938 959136842 /nfs/dbraw/zinc/13/68/42/959136842.db2.gz YRSHGOTUJKYYGL-RDBSUJKOSA-N 2 0 287.423 1.655 10 0 CDAERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]Cc1cccnc1 ZINC001368914915 959247508 /nfs/dbraw/zinc/24/75/08/959247508.db2.gz OWDUFDZTHCTHON-UONOGXRCSA-N 2 0 290.411 1.160 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1[C@H]2C[N@H+](C(C)C)C[C@H]21 ZINC001369130608 959477117 /nfs/dbraw/zinc/47/71/17/959477117.db2.gz JWCCBUXRBJKTGJ-APIJFGDWSA-N 2 0 299.434 1.369 10 0 CDAERP C[C@@H](F)CC[NH2+]C/C=C\CNC(=O)C1([NH+](C)C)CCC1 ZINC001321092726 959585717 /nfs/dbraw/zinc/58/57/17/959585717.db2.gz RVGOJLKMOORHRC-DSYXLKISSA-N 2 0 285.407 1.481 10 0 CDAERP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CCC(C)(C)C ZINC001369277918 959601393 /nfs/dbraw/zinc/60/13/93/959601393.db2.gz PNZWAPZQJCISRU-CYBMUJFWSA-N 2 0 271.449 1.811 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001369412581 959670546 /nfs/dbraw/zinc/67/05/46/959670546.db2.gz NANDXHTZBHYNCE-DZKIICNBSA-N 2 0 299.434 1.799 10 0 CDAERP C[NH+]1CCC(C(=O)N[C@@](C)(C[NH2+]CCCF)C2CC2)CC1 ZINC001495275836 972461158 /nfs/dbraw/zinc/46/11/58/972461158.db2.gz CRYXUMCAUZGIOB-INIZCTEOSA-N 2 0 299.434 1.562 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)NC(=O)Cc1[nH]cnc1C ZINC001321724368 959922078 /nfs/dbraw/zinc/92/20/78/959922078.db2.gz YJAKUGUXDXRLNJ-LLVKDONJSA-N 2 0 264.373 1.321 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CCCF ZINC001321757103 959935875 /nfs/dbraw/zinc/93/58/75/959935875.db2.gz VUSCKHJCDVDNNJ-CHWSQXEVSA-N 2 0 273.396 1.315 10 0 CDAERP C[C@@H](C[NH2+]CCCC(C)(C)C)NC(=O)CC[NH+](C)C ZINC001321969658 960037648 /nfs/dbraw/zinc/03/76/48/960037648.db2.gz WMHBSPPLBLOAOH-ZDUSSCGKSA-N 2 0 271.449 1.859 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CCCOC ZINC001322306316 960176126 /nfs/dbraw/zinc/17/61/26/960176126.db2.gz JNMKFSOQKFTMJN-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCC[NH+](C)C2)C1 ZINC001433669140 960501842 /nfs/dbraw/zinc/50/18/42/960501842.db2.gz FFRIIOBYZUBUMG-LSDHHAIUSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)CC[NH+]2CC[C@H](F)C2)CC[N@@H+]1C ZINC001433746912 960578420 /nfs/dbraw/zinc/57/84/20/960578420.db2.gz RFFKIQNGNOMJQI-FRRDWIJNSA-N 2 0 271.380 1.019 10 0 CDAERP CCCCC[N@@H+]1CC[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001323301809 960627563 /nfs/dbraw/zinc/62/75/63/960627563.db2.gz KZGNKHZRMGYVDJ-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001418700527 960921229 /nfs/dbraw/zinc/92/12/29/960921229.db2.gz HKVSQHMQVAPTHR-XUXIUFHCSA-N 2 0 287.423 1.559 10 0 CDAERP CCC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C[C@H](F)CC ZINC001418706448 960928586 /nfs/dbraw/zinc/92/85/86/960928586.db2.gz AINHBRGMITUKKF-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)NC(=O)CC[NH+]1CC[C@@H](F)C1 ZINC001434102013 960980142 /nfs/dbraw/zinc/98/01/42/960980142.db2.gz ZXSGLDUQHINGJS-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP CCCCC[NH+]1CC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001324002778 961103890 /nfs/dbraw/zinc/10/38/90/961103890.db2.gz AQCRMCRFWLJFOC-AWEZNQCLSA-N 2 0 281.444 1.661 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@]12CC[NH+](C1)CCC2 ZINC001434306575 961151726 /nfs/dbraw/zinc/15/17/26/961151726.db2.gz BLZJSVFPEIFHGS-HOCLYGCPSA-N 2 0 279.428 1.461 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001419279788 961577611 /nfs/dbraw/zinc/57/76/11/961577611.db2.gz DLHZVHDBOQTUQH-CZUORRHYSA-N 2 0 295.471 1.859 10 0 CDAERP C[C@H]([NH2+]CCF)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001436668863 962332632 /nfs/dbraw/zinc/33/26/32/962332632.db2.gz NUUHHXZLHBFYNR-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001420018929 962380858 /nfs/dbraw/zinc/38/08/58/962380858.db2.gz SBRKRNFOUXFSSM-CABCVRRESA-N 2 0 283.460 1.811 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]([NH2+]CCF)C2CC2)C1 ZINC001436811195 962429962 /nfs/dbraw/zinc/42/99/62/962429962.db2.gz MMOXLWSJBBQDQP-LSDHHAIUSA-N 2 0 299.434 1.562 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2)C1 ZINC001436882963 962473133 /nfs/dbraw/zinc/47/31/33/962473133.db2.gz HUQFXDCADNRIRL-INIZCTEOSA-N 2 0 289.423 1.717 10 0 CDAERP CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001436946731 962518960 /nfs/dbraw/zinc/51/89/60/962518960.db2.gz UGWWHDWWSSLLLI-GJZGRUSLSA-N 2 0 281.444 1.659 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001436954898 962526095 /nfs/dbraw/zinc/52/60/95/962526095.db2.gz QIUVOOGXPHTAEZ-KBXIAJHMSA-N 2 0 299.434 1.846 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CC1CCC(C)CC1 ZINC001437195285 962721099 /nfs/dbraw/zinc/72/10/99/962721099.db2.gz BMVFBLJHOPFKBT-SLTAFYQDSA-N 2 0 283.460 1.859 10 0 CDAERP CC[N@H+](CCNC(=O)CC[NH+](C)C)Cc1cccnc1C ZINC001420425141 962895106 /nfs/dbraw/zinc/89/51/06/962895106.db2.gz KVJVKRWRRSVTRO-UHFFFAOYSA-N 2 0 292.427 1.280 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)CC1CCC1 ZINC001437483475 962949685 /nfs/dbraw/zinc/94/96/85/962949685.db2.gz IKPUUIBEUCNEFD-HZPDHXFCSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC001437723887 963146290 /nfs/dbraw/zinc/14/62/90/963146290.db2.gz FQCTULSHQNBUMZ-DZGCQCFKSA-N 2 0 279.428 1.176 10 0 CDAERP CCC[N@H+](CCNC(=O)C[NH+]1CCCC1)CC1CC(C)C1 ZINC001437771510 963171982 /nfs/dbraw/zinc/17/19/82/963171982.db2.gz YSESZTUPGNQDFD-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+]2CCCC(C)(C)C)C1 ZINC001420903591 963343622 /nfs/dbraw/zinc/34/36/22/963343622.db2.gz MPZBTMOAWGEVGQ-CABCVRRESA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[NH+](C)CC(=O)N(C)[C@@H]1CC[N@@H+](CC[C@@H](C)F)C1 ZINC001438253257 963386120 /nfs/dbraw/zinc/38/61/20/963386120.db2.gz IRLBNHKLXPMWCR-ZIAGYGMSSA-N 2 0 287.423 1.607 10 0 CDAERP C[C@H](C[N@H+](C)CCC1CC1)NC(=O)[C@H]1CCCC[NH+]1C ZINC001439341116 963730159 /nfs/dbraw/zinc/73/01/59/963730159.db2.gz OXCWZLSTSNWGNT-UKRRQHHQSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]CCC1CC1 ZINC001439514963 963781566 /nfs/dbraw/zinc/78/15/66/963781566.db2.gz NOHKTGWLGFSZPV-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]CC1CC(C)C1 ZINC001439783074 963858333 /nfs/dbraw/zinc/85/83/33/963858333.db2.gz OWNKJRRTVKKOCL-GPANFISMSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)C[NH2+][C@H]1C[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001440313654 963981401 /nfs/dbraw/zinc/98/14/01/963981401.db2.gz QOVRRNNDJWWOLJ-SOUVJXGZSA-N 2 0 281.444 1.469 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccns1 ZINC001440852003 964211157 /nfs/dbraw/zinc/21/11/57/964211157.db2.gz FZGKTMWLEDTSKE-VXGBXAGGSA-N 2 0 298.456 1.466 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)Cc1ccc(F)cc1 ZINC001440962772 964295605 /nfs/dbraw/zinc/29/56/05/964295605.db2.gz MXZUQQGELSNSCJ-CYBMUJFWSA-N 2 0 295.402 1.714 10 0 CDAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH+](C)CC1CCC1 ZINC001440970269 964303278 /nfs/dbraw/zinc/30/32/78/964303278.db2.gz MYMKMDWVEZVEQG-KBPBESRZSA-N 2 0 281.444 1.565 10 0 CDAERP CO[C@@H](C)C[N@@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001441264823 964439446 /nfs/dbraw/zinc/43/94/46/964439446.db2.gz CIHFZXSOHGSJAK-KBPBESRZSA-N 2 0 299.459 1.188 10 0 CDAERP C[NH+](C)C1(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCCF)C[C@H]32)CCC1 ZINC001441303191 964457454 /nfs/dbraw/zinc/45/74/54/964457454.db2.gz KUNIWXCPCQFMJC-ZSOGYDGISA-N 2 0 297.418 1.124 10 0 CDAERP Cc1ncc(C[NH2+][C@H](C)CNC(=O)C[N@H+](C)C2CCC2)o1 ZINC001441838951 964743974 /nfs/dbraw/zinc/74/39/74/964743974.db2.gz HAUVJJZNXBYPPT-LLVKDONJSA-N 2 0 294.399 1.062 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001442897182 965267089 /nfs/dbraw/zinc/26/70/89/965267089.db2.gz WRHZVQXERZQWFM-CHWSQXEVSA-N 2 0 273.396 1.124 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001569415547 1169870396 /nfs/dbraw/zinc/87/03/96/1169870396.db2.gz JIYNUDXIFYOWHU-UHFFFAOYSA-N 2 0 267.417 1.367 10 0 CDAERP CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001443749463 965592841 /nfs/dbraw/zinc/59/28/41/965592841.db2.gz HPSOHZZTVUXRRQ-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cncc(C)c1 ZINC001443988937 965697710 /nfs/dbraw/zinc/69/77/10/965697710.db2.gz UORLAIOTJPPPOR-HNNXBMFYSA-N 2 0 292.427 1.326 10 0 CDAERP Cc1c([C@H](C)[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cnn1C ZINC001350646236 966724417 /nfs/dbraw/zinc/72/44/17/966724417.db2.gz DKWQERCRNVERAA-HLVVYCRESA-N 2 0 262.401 1.910 10 0 CDAERP CC[C@H](F)C[NH2+][C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001448765895 967245085 /nfs/dbraw/zinc/24/50/85/967245085.db2.gz DOBKFJRMLCHLCZ-STQMWFEESA-N 2 0 285.407 1.267 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H](C)CC[NH+](C)C)C1CC1 ZINC001542802085 967247416 /nfs/dbraw/zinc/24/74/16/967247416.db2.gz JEMAITYDDQZBJC-GFCCVEGCSA-N 2 0 255.406 1.175 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H](C)C1CC[NH+](C(C)C)CC1 ZINC001449352733 967439767 /nfs/dbraw/zinc/43/97/67/967439767.db2.gz NMSGQYISOMHSHW-CQSZACIVSA-N 2 0 283.460 1.953 10 0 CDAERP CCN1CC[C@H]1C(=O)NCCCC[N@H+](C)C1CC1 ZINC001451007313 967868826 /nfs/dbraw/zinc/86/88/26/967868826.db2.gz ZFEKNBMLQDDZAV-ZDUSSCGKSA-N 2 0 253.390 1.071 10 0 CDAERP C[C@H](C(=O)N[C@H]1C[NH+](C)CC1(C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001456161323 968878810 /nfs/dbraw/zinc/87/88/10/968878810.db2.gz XFDXALLPEGWFCU-RQJABVFESA-N 2 0 281.444 1.704 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)Nc1ccc2c[nH+]cn2c1 ZINC001456441743 968973876 /nfs/dbraw/zinc/97/38/76/968973876.db2.gz LESWATGOFAOJOK-LLVKDONJSA-N 2 0 260.341 1.861 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@H](C)O)[C@@H](C)C1 ZINC001473408454 969765394 /nfs/dbraw/zinc/76/53/94/969765394.db2.gz IOEXKGQVEIMBTO-XGUBFFRZSA-N 2 0 272.433 1.482 10 0 CDAERP C[NH+](C)CC1(CNC2=[NH+]CCCCN2)CCCC1 ZINC000849217786 969917290 /nfs/dbraw/zinc/91/72/90/969917290.db2.gz OZNLIHRMXUTSPS-UHFFFAOYSA-N 2 0 252.406 1.437 10 0 CDAERP O=C(C[NH+]1CCCC1)NCC12CCC[NH+](CCC1)C2 ZINC001521752078 970350087 /nfs/dbraw/zinc/35/00/87/970350087.db2.gz DCMSZRVXOOCYLT-UHFFFAOYSA-N 2 0 265.401 1.074 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001522661715 970530567 /nfs/dbraw/zinc/53/05/67/970530567.db2.gz GMPYZVRLOUMPJC-UHFFFAOYSA-N 2 0 269.433 1.706 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)NC[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001361825334 970573217 /nfs/dbraw/zinc/57/32/17/970573217.db2.gz JUEJTKJJACGCQR-INIZCTEOSA-N 2 0 295.471 1.811 10 0 CDAERP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H](C)CC[NH+](C)C ZINC001361964724 970723202 /nfs/dbraw/zinc/72/32/02/970723202.db2.gz ACPWJVGYZNWIOO-QLFBSQMISA-N 2 0 283.460 1.811 10 0 CDAERP CC[C@@H](C(=O)NC[C@H]1CN(CC=C(C)C)CCO1)[NH+](C)C ZINC001495873747 972680243 /nfs/dbraw/zinc/68/02/43/972680243.db2.gz ZTYMZYMLZUIXJO-GJZGRUSLSA-N 2 0 297.443 1.110 10 0 CDAERP CC(C)[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001496129506 972806082 /nfs/dbraw/zinc/80/60/82/972806082.db2.gz GISWETUGPROKPA-ZDUSSCGKSA-N 2 0 269.433 1.706 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H]([NH2+]CCF)C(C)C)CC[N@@H+]1C ZINC001496560050 972971869 /nfs/dbraw/zinc/97/18/69/972971869.db2.gz AVDPLOTYXDSCLV-BFHYXJOUSA-N 2 0 287.423 1.417 10 0 CDAERP O=C(CCC[NH+]1CCCC1)N[C@@H]1CCC[C@H]1C[NH2+]CCF ZINC001496920788 973145772 /nfs/dbraw/zinc/14/57/72/973145772.db2.gz ZBTFERWISOWDEZ-LSDHHAIUSA-N 2 0 299.434 1.706 10 0 CDAERP C[C@@H](CC[NH2+]CCCO)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001497189698 973237016 /nfs/dbraw/zinc/23/70/16/973237016.db2.gz YYRASLGZANIEIF-AWEZNQCLSA-N 2 0 299.459 1.118 10 0 CDAERP CC(C)C[NH2+]CC[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001497204696 973242426 /nfs/dbraw/zinc/24/24/26/973242426.db2.gz FIZHDFIJDCLHNA-ZDUSSCGKSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)N2CC[C@H](C[NH+](C)C)C2)CC1 ZINC001417710043 973314846 /nfs/dbraw/zinc/31/48/46/973314846.db2.gz XHUUPRYYONMPML-OAHLLOKOSA-N 2 0 295.471 1.765 10 0 CDAERP CCCC[N@@H+]1CC[C@@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001373235494 973317228 /nfs/dbraw/zinc/31/72/28/973317228.db2.gz KGXODDVMNAWBRB-OAHLLOKOSA-N 2 0 293.455 1.711 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001417798620 973394345 /nfs/dbraw/zinc/39/43/45/973394345.db2.gz CISXNXKTVZPKMP-YIYPIFLZSA-N 2 0 285.407 1.171 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CCC[N@H+](CCC2CC2)C1)[NH+](C)C ZINC001373402807 973416147 /nfs/dbraw/zinc/41/61/47/973416147.db2.gz MYLHRVHTZSCFBY-LSDHHAIUSA-N 2 0 281.444 1.707 10 0 CDAERP C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+]1CC[C@@H](F)C1)C2 ZINC001417871337 973433807 /nfs/dbraw/zinc/43/38/07/973433807.db2.gz XDLDVEFWXQTOMQ-GDBMZVCRSA-N 2 0 297.418 1.365 10 0 CDAERP C[C@H]([NH2+]C/C=C/CNC(=O)CC[NH+](C)C)c1ccccc1 ZINC001497672185 973459348 /nfs/dbraw/zinc/45/93/48/973459348.db2.gz AULIVJAZHISIMS-KIUWMYQTSA-N 2 0 289.423 1.961 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+]Cc1ccsc1 ZINC001497954426 973589414 /nfs/dbraw/zinc/58/94/14/973589414.db2.gz CGCITBMOMOTUHL-GFCCVEGCSA-N 2 0 283.441 1.684 10 0 CDAERP CC1CC[NH+](CC(=O)N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)CC1 ZINC001418159844 973615155 /nfs/dbraw/zinc/61/51/55/973615155.db2.gz BIVTZMHOGLAKMB-UONOGXRCSA-N 2 0 281.444 1.563 10 0 CDAERP C[C@@H](C[NH2+]Cc1cccnc1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001498117585 973693016 /nfs/dbraw/zinc/69/30/16/973693016.db2.gz FGJFQUQVIYFYMA-KBPBESRZSA-N 2 0 290.411 1.018 10 0 CDAERP C[C@@H](C[NH2+]C[C@H]1CCOC1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001498118632 973693418 /nfs/dbraw/zinc/69/34/18/973693418.db2.gz UHGPJCAEQXUBBG-UONOGXRCSA-N 2 0 299.459 1.095 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CCF ZINC001418282149 973724130 /nfs/dbraw/zinc/72/41/30/973724130.db2.gz RCWWGFUGQHOJKJ-QWHCGFSZSA-N 2 0 273.396 1.313 10 0 CDAERP C[C@@H](C[NH2+]CCCCCF)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001498190706 973734739 /nfs/dbraw/zinc/73/47/39/973734739.db2.gz SLWJHBKHQODSRO-STQMWFEESA-N 2 0 273.396 1.172 10 0 CDAERP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]C/C=C/Cl ZINC001418433637 973821575 /nfs/dbraw/zinc/82/15/75/973821575.db2.gz SJYKKTYAMAHPJA-FVOPLDGLSA-N 2 0 273.808 1.319 10 0 CDAERP C[C@H](C[NH2+]Cc1cncs1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001374205377 973831079 /nfs/dbraw/zinc/83/10/79/973831079.db2.gz HLNOJRIONMQXBW-YPMHNXCESA-N 2 0 296.440 1.174 10 0 CDAERP CC(C)C[N@H+](C)CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001418507017 973911276 /nfs/dbraw/zinc/91/12/76/973911276.db2.gz UDDZGAFOOKTIIE-GJZGRUSLSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1C[NH2+]CC1CC1 ZINC001374395112 973919200 /nfs/dbraw/zinc/91/92/00/973919200.db2.gz JFLALAMPAODNGZ-ZFWWWQNUSA-N 2 0 281.444 1.565 10 0 CDAERP Cc1ncc(CN(C)C[C@H](C)NC(=O)C[NH+]2CCCC2)o1 ZINC001498455447 973924926 /nfs/dbraw/zinc/92/49/26/973924926.db2.gz ICBKSWDPYYTCRI-LBPRGKRZSA-N 2 0 294.399 1.015 10 0 CDAERP CCC[NH2+]CCCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001498587710 973990420 /nfs/dbraw/zinc/99/04/20/973990420.db2.gz SRYNPISOCFRKAA-GJZGRUSLSA-N 2 0 281.444 1.851 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH2+]CCF ZINC001498657110 974012918 /nfs/dbraw/zinc/01/29/18/974012918.db2.gz FHDNICWULVYCNC-ZDUSSCGKSA-N 2 0 273.396 1.268 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@]2(CC[N@H+](C/C=C/Cl)C2)C1 ZINC001499611467 974273916 /nfs/dbraw/zinc/27/39/16/974273916.db2.gz ZZJHQKJYVMDFGT-MIOHMZDASA-N 2 0 299.846 1.615 10 0 CDAERP CC(C)C[C@H](C)C[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001499792642 974304636 /nfs/dbraw/zinc/30/46/36/974304636.db2.gz QRLGCTRCAQPDTM-LSDHHAIUSA-N 2 0 295.471 1.763 10 0 CDAERP COCCC[NH2+]C[C@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001499899948 974328966 /nfs/dbraw/zinc/32/89/66/974328966.db2.gz BPFNRIUMRIEZJD-CQSZACIVSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001375660359 974447818 /nfs/dbraw/zinc/44/78/18/974447818.db2.gz PKJRZUXTVHCQOR-XQQFMLRXSA-N 2 0 273.396 1.265 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]CC2CC2)C2CCCC2)C1 ZINC001375794494 974478711 /nfs/dbraw/zinc/47/87/11/974478711.db2.gz YGEGGFBHNZRVRN-HOTGVXAUSA-N 2 0 293.455 1.613 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC001376061051 974546329 /nfs/dbraw/zinc/54/63/29/974546329.db2.gz NPJIZNDSMMWJFE-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP CC(C)[NH2+]CC[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001501637812 974613928 /nfs/dbraw/zinc/61/39/28/974613928.db2.gz PYGGCHNKEGTTIL-HUUCEWRRSA-N 2 0 281.444 1.565 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CCF)C1 ZINC001501649880 974617643 /nfs/dbraw/zinc/61/76/43/974617643.db2.gz AMAPFAOILRRNIU-HUUCEWRRSA-N 2 0 299.434 1.659 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](C)CC)C[C@H]21)[NH+](C)C ZINC001376644077 974704923 /nfs/dbraw/zinc/70/49/23/974704923.db2.gz WWXZVWNMTCKDAW-VQJWOFKYSA-N 2 0 281.444 1.419 10 0 CDAERP CCC[NH2+][C@@H](C)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001376797146 974772853 /nfs/dbraw/zinc/77/28/53/974772853.db2.gz DQTQFYJIMXJMFW-WFASDCNBSA-N 2 0 287.423 1.703 10 0 CDAERP C[N@H+](CCCF)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C ZINC001505435915 974879601 /nfs/dbraw/zinc/87/96/01/974879601.db2.gz RBVOJKFKVMXHQH-LSDHHAIUSA-N 2 0 299.434 1.753 10 0 CDAERP Cc1oncc1C[NH2+][C@H](C)CCNC(=O)C[N@H+](C)C(C)C ZINC001377106613 974885404 /nfs/dbraw/zinc/88/54/04/974885404.db2.gz GTHRHEOFXNDIMJ-GFCCVEGCSA-N 2 0 296.415 1.308 10 0 CDAERP CCC[NH2+]CC1CC(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001505502003 974895884 /nfs/dbraw/zinc/89/58/84/974895884.db2.gz TXBDLBJLTPRFJO-NRXISQOPSA-N 2 0 281.444 1.755 10 0 CDAERP CC1CC(C[N@H+](C)CCNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001377172197 974912541 /nfs/dbraw/zinc/91/25/41/974912541.db2.gz FLULWAZKFXYJJT-NWINJMCUSA-N 2 0 290.411 1.607 10 0 CDAERP CC(C)[C@H](C(=O)NCC[N@H+](C)CC1CCCC1)[NH+](C)C ZINC001377252407 974945986 /nfs/dbraw/zinc/94/59/86/974945986.db2.gz COXHRCLJEHRKFY-OAHLLOKOSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)=CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001505848221 975000846 /nfs/dbraw/zinc/00/08/46/975000846.db2.gz MWSWITCMXPVCHL-OAHLLOKOSA-N 2 0 295.471 1.979 10 0 CDAERP CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001505848224 975001016 /nfs/dbraw/zinc/00/10/16/975001016.db2.gz NAUCDKVGAXDVHD-CYBMUJFWSA-N 2 0 269.433 1.422 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)[NH2+]Cc1nccs1 ZINC001377849001 975155620 /nfs/dbraw/zinc/15/56/20/975155620.db2.gz MDEISVURKYZNMO-GHMZBOCLSA-N 2 0 284.429 1.078 10 0 CDAERP CC(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001377872542 975162163 /nfs/dbraw/zinc/16/21/63/975162163.db2.gz MHTQIKQANMRBSU-ZIAGYGMSSA-N 2 0 299.459 1.236 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]CC2CC2)CC1 ZINC001377879244 975164528 /nfs/dbraw/zinc/16/45/28/975164528.db2.gz URWIENJBTRVGBD-UONOGXRCSA-N 2 0 295.471 2.000 10 0 CDAERP CC[C@@H](F)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001506750523 975216108 /nfs/dbraw/zinc/21/61/08/975216108.db2.gz ZPKCDJAMTROHKH-CHWSQXEVSA-N 2 0 287.423 1.513 10 0 CDAERP CC[C@H](F)C[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001506750528 975216665 /nfs/dbraw/zinc/21/66/65/975216665.db2.gz ZPKCDJAMTROHKH-STQMWFEESA-N 2 0 287.423 1.513 10 0 CDAERP CC(C)OCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001378165765 975268347 /nfs/dbraw/zinc/26/83/47/975268347.db2.gz VLWRDPJESLLEMM-GJZGRUSLSA-N 2 0 297.443 1.038 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001507018653 975297369 /nfs/dbraw/zinc/29/73/69/975297369.db2.gz LFBGEJYAZBHLQG-CVEARBPZSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+]CC1CC2(CCC2)C1 ZINC001378602523 975412691 /nfs/dbraw/zinc/41/26/91/975412691.db2.gz PPRSMGGPIHTWQL-CQSZACIVSA-N 2 0 295.471 1.860 10 0 CDAERP C[C@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1CCCF ZINC001507383340 975428924 /nfs/dbraw/zinc/42/89/24/975428924.db2.gz OEWPEKVZBQDPQK-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[NH+](CC)C[C@H]2C1 ZINC001378781181 975489013 /nfs/dbraw/zinc/48/90/13/975489013.db2.gz KAEKCZCEXSHPDC-RBSFLKMASA-N 2 0 281.444 1.565 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@H]1C ZINC001388821066 975608532 /nfs/dbraw/zinc/60/85/32/975608532.db2.gz HWLRWGHLTHSRIB-MCIONIFRSA-N 2 0 287.423 1.655 10 0 CDAERP CC[NH2+]C1CC(N(C)C(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001508138357 975619068 /nfs/dbraw/zinc/61/90/68/975619068.db2.gz RYYBRJYCBVDRKP-ZBOXLXRLSA-N 2 0 264.373 1.187 10 0 CDAERP CC(C)CC[NH2+]C1CC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001508139717 975619410 /nfs/dbraw/zinc/61/94/10/975619410.db2.gz CZTQPZQXZDNCIJ-FHERZECASA-N 2 0 295.471 1.953 10 0 CDAERP CCCC[N@H+]1CC=C(CNC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001508227396 975646734 /nfs/dbraw/zinc/64/67/34/975646734.db2.gz LXAQNAYRDXQIKN-INIZCTEOSA-N 2 0 293.455 1.877 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)CCc2c[nH]cn2)C1 ZINC001397611552 975652437 /nfs/dbraw/zinc/65/24/37/975652437.db2.gz QRJBSYNCXFGNFD-OTVXOJSOSA-N 2 0 292.427 1.873 10 0 CDAERP CC(C)[C@H](C(=O)N(C)CC[N@H+](C)CC[C@H](C)F)[NH+](C)C ZINC001379115025 975673711 /nfs/dbraw/zinc/67/37/11/975673711.db2.gz BVRIMVWIVFIWSO-UONOGXRCSA-N 2 0 289.439 1.711 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001401636031 975753263 /nfs/dbraw/zinc/75/32/63/975753263.db2.gz CPEVLSFGLXJITD-OLZOCXBDSA-N 2 0 287.423 1.703 10 0 CDAERP CC(C)[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001405479350 975754113 /nfs/dbraw/zinc/75/41/13/975754113.db2.gz JDSKPQBWPFFQSR-BZUAXINKSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001379359899 975798087 /nfs/dbraw/zinc/79/80/87/975798087.db2.gz SFPPNXXMAVDLIJ-UMVBOHGHSA-N 2 0 295.471 1.857 10 0 CDAERP Cc1cccc(C[NH2+]C[C@@H](C)NC(=O)C[NH+]2CCCC2)c1 ZINC001379463232 975855275 /nfs/dbraw/zinc/85/52/75/975855275.db2.gz YRVDQONISBCZTE-OAHLLOKOSA-N 2 0 289.423 1.685 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]C/C=C/Cl)C1CC1 ZINC001389673515 975948772 /nfs/dbraw/zinc/94/87/72/975948772.db2.gz XDBRUNGRDJGQMB-RFHLNLMPSA-N 2 0 299.846 1.708 10 0 CDAERP CC(C)[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001401853412 975953180 /nfs/dbraw/zinc/95/31/80/975953180.db2.gz WGKHHZLGXJACCI-AEGPPILISA-N 2 0 281.444 1.610 10 0 CDAERP CC(C)C[NH2+][C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001406021034 975971783 /nfs/dbraw/zinc/97/17/83/975971783.db2.gz QSUOTYWUDZKHBV-JKSUJKDBSA-N 2 0 295.471 1.715 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001401917144 976003147 /nfs/dbraw/zinc/00/31/47/976003147.db2.gz KRNWKKHZMNQRKT-HUUCEWRRSA-N 2 0 281.444 1.565 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC001379694805 976014720 /nfs/dbraw/zinc/01/47/20/976014720.db2.gz ZCBBHPYCYRRSHZ-CHWSQXEVSA-N 2 0 275.412 1.511 10 0 CDAERP CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001401980025 976056268 /nfs/dbraw/zinc/05/62/68/976056268.db2.gz VDWFYKGYHUAFDF-KGLIPLIRSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001389971208 976068841 /nfs/dbraw/zinc/06/88/41/976068841.db2.gz IZDUJEJZTLKOJC-MHEUCROKSA-N 2 0 297.418 1.313 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC[C@H](C)F)C1 ZINC001390003258 976081291 /nfs/dbraw/zinc/08/12/91/976081291.db2.gz GMTZDAWRCRDBPE-RWMBFGLXSA-N 2 0 273.396 1.313 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC1CCC([NH2+]CCF)CC1 ZINC001398840404 976168277 /nfs/dbraw/zinc/16/82/77/976168277.db2.gz SLDYEQRQRLXFNE-YMAMQOFZSA-N 2 0 299.434 1.847 10 0 CDAERP CCC[NH2+][C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001402291006 976219485 /nfs/dbraw/zinc/21/94/85/976219485.db2.gz AJXIGGARVPEMRQ-LSDHHAIUSA-N 2 0 279.428 1.223 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(F)cc1 ZINC001390309796 976221948 /nfs/dbraw/zinc/22/19/48/976221948.db2.gz MFZFGVXHJFUWGU-WFASDCNBSA-N 2 0 293.386 1.514 10 0 CDAERP CC(C)C[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001380072665 976231404 /nfs/dbraw/zinc/23/14/04/976231404.db2.gz DSMSSJGYUIVQQX-ZDUSSCGKSA-N 2 0 271.449 1.715 10 0 CDAERP C[C@@H](C[NH2+]CC1CCC1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001406522095 976235490 /nfs/dbraw/zinc/23/54/90/976235490.db2.gz XCLDYJIFIFXTQP-ZDUSSCGKSA-N 2 0 281.444 1.755 10 0 CDAERP CC[N@H+](C)CCC(=O)NC1(C2CC[NH+](CC)CC2)CC1 ZINC001380183537 976280399 /nfs/dbraw/zinc/28/03/99/976280399.db2.gz KIFOJOHZAYBXJJ-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1ccsc1 ZINC001390410482 976282350 /nfs/dbraw/zinc/28/23/50/976282350.db2.gz YVRQINOQYRUSML-GFCCVEGCSA-N 2 0 295.452 1.827 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001402463331 976294825 /nfs/dbraw/zinc/29/48/25/976294825.db2.gz PZTDMVKQVVFETG-OLZOCXBDSA-N 2 0 283.391 1.021 10 0 CDAERP Cc1ccc(F)cc1C[NH2+][C@@H](C)CNC(=O)CC[NH+](C)C ZINC001399039558 976303070 /nfs/dbraw/zinc/30/30/70/976303070.db2.gz RTYNCZMMOBISJY-ZDUSSCGKSA-N 2 0 295.402 1.680 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001380272848 976324275 /nfs/dbraw/zinc/32/42/75/976324275.db2.gz QAGQZVQSNKRJBW-UKRRQHHQSA-N 2 0 299.434 1.799 10 0 CDAERP CN(CCC[N@H+](C)C[C@@H]1CCCCO1)C(=O)CC[NH+](C)C ZINC001402648661 976422994 /nfs/dbraw/zinc/42/29/94/976422994.db2.gz JEZVVUVVLDLOMT-HNNXBMFYSA-N 2 0 299.459 1.288 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@]2(CC[N@H+](CCF)C2)C1 ZINC001402705552 976447402 /nfs/dbraw/zinc/44/74/02/976447402.db2.gz CNGQYNVSYTXNPS-HNNXBMFYSA-N 2 0 285.407 1.222 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC[C@@H](C)[NH2+]C/C=C\Cl ZINC001390730083 976459525 /nfs/dbraw/zinc/45/95/25/976459525.db2.gz LBHXJSWDUYJCKK-SMYYYNMVSA-N 2 0 275.824 1.564 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)C1C[NH+](CC2CC(C)C2)C1 ZINC001407080960 976542230 /nfs/dbraw/zinc/54/22/30/976542230.db2.gz LNARKQKBVPHAKI-UHFFFAOYSA-N 2 0 281.444 1.517 10 0 CDAERP CC[C@H](C)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001380935269 976609455 /nfs/dbraw/zinc/60/94/55/976609455.db2.gz SNYUXSPBBLRARD-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001380935274 976611748 /nfs/dbraw/zinc/61/17/48/976611748.db2.gz SNYUXSPBBLRARD-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP Cc1cc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C)sn1 ZINC001403020181 976666718 /nfs/dbraw/zinc/66/67/18/976666718.db2.gz YFQGOCXUXYNEBS-DGCLKSJQSA-N 2 0 296.440 1.140 10 0 CDAERP CCC(CC)C[N@H+](CC)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001399805496 976684307 /nfs/dbraw/zinc/68/43/07/976684307.db2.gz AVXAZAGPFHMZEL-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]CC1CCCC1)[NH+](C)C ZINC001403057144 976686066 /nfs/dbraw/zinc/68/60/66/976686066.db2.gz YNSCTNNGNNGMSM-DZGCQCFKSA-N 2 0 283.460 1.857 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001399866254 976707071 /nfs/dbraw/zinc/70/70/71/976707071.db2.gz JIVBZBCQMRFGCE-KGLIPLIRSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]C/C=C/Cl)C1 ZINC001403164549 976774093 /nfs/dbraw/zinc/77/40/93/976774093.db2.gz ZGSYMFPGRGCNSQ-QFVHEQCKSA-N 2 0 299.846 1.802 10 0 CDAERP CO[C@H](C)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001391370279 976842823 /nfs/dbraw/zinc/84/28/23/976842823.db2.gz BBKCDGWJHJAQPD-ILXRZTDVSA-N 2 0 297.443 1.086 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001400105769 976854005 /nfs/dbraw/zinc/85/40/05/976854005.db2.gz RUUQWRUTJYTKEU-GASCZTMLSA-N 2 0 279.428 1.413 10 0 CDAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1nccs1 ZINC001408099334 976912245 /nfs/dbraw/zinc/91/22/45/976912245.db2.gz RARBTAVEAZGFSZ-NWDGAFQWSA-N 2 0 296.440 1.031 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@H]1C ZINC001408171571 976951614 /nfs/dbraw/zinc/95/16/14/976951614.db2.gz IJZJYCVWHWEQEO-CABCVRRESA-N 2 0 283.460 1.952 10 0 CDAERP CC(C)[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](C(C)C)C[C@H]21)[NH+](C)C ZINC001381884553 977067889 /nfs/dbraw/zinc/06/78/89/977067889.db2.gz ADHRIEWROBOMHG-XQLPTFJDSA-N 2 0 281.444 1.275 10 0 CDAERP C[N@H+](CC(=O)N[C@H]1C[C@H](C[NH2+]CC2CCC2)C1)C1CCC1 ZINC001381961622 977100414 /nfs/dbraw/zinc/10/04/14/977100414.db2.gz IPGLAGRURJHIPY-SHTZXODSSA-N 2 0 293.455 1.755 10 0 CDAERP CCN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001400756666 977173271 /nfs/dbraw/zinc/17/32/71/977173271.db2.gz BVQRATHKEAEMPC-LSDHHAIUSA-N 2 0 281.444 1.659 10 0 CDAERP C[NH+](C)CC1(C(=O)N2C[C@@H]([NH2+]CC3CC3)C(C)(C)C2)CC1 ZINC001382371756 977267087 /nfs/dbraw/zinc/26/70/87/977267087.db2.gz WZDUAIXHECUUIE-CQSZACIVSA-N 2 0 293.455 1.565 10 0 CDAERP CC(C)[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CCF ZINC001392233324 977275483 /nfs/dbraw/zinc/27/54/83/977275483.db2.gz LTGASVNCTKFSAT-MELADBBJSA-N 2 0 287.423 1.417 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1CCC1)C1CC1 ZINC001392776445 977592413 /nfs/dbraw/zinc/59/24/13/977592413.db2.gz ZAADAMOLCUSOQS-GJZGRUSLSA-N 2 0 279.428 1.365 10 0 CDAERP CC(C)[C@H](C(=O)NCC1([NH2+]CC[C@@H](C)F)CC1)[NH+](C)C ZINC001392929658 977656177 /nfs/dbraw/zinc/65/61/77/977656177.db2.gz WFZLSWZZKWJGOZ-CHWSQXEVSA-N 2 0 287.423 1.559 10 0 CDAERP CC(C)[NH+](C)CC(=O)N[C@@]1(C)CC[N@@H+](CCC[C@H](C)O)C1 ZINC001393125611 977712547 /nfs/dbraw/zinc/71/25/47/977712547.db2.gz MNPCERYHSXWUFB-HOCLYGCPSA-N 2 0 299.459 1.068 10 0 CDAERP CC(C)[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+](C)C)C2 ZINC001393692685 977897151 /nfs/dbraw/zinc/89/71/51/977897151.db2.gz SEBJHTZSXPIXLH-INIZCTEOSA-N 2 0 281.444 1.661 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)[N@H+](C)CC1CCOCC1)[NH+](C)C ZINC001394131422 978082940 /nfs/dbraw/zinc/08/29/40/978082940.db2.gz YQRYSLUIUNVRTI-DZGCQCFKSA-N 2 0 299.459 1.190 10 0 CDAERP CCCC[NH2+]C[C@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CCO1 ZINC001570151494 1170095855 /nfs/dbraw/zinc/09/58/55/1170095855.db2.gz OADPGMKUAAADDR-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP CCC[NH2+]C[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001571152119 1170340738 /nfs/dbraw/zinc/34/07/38/1170340738.db2.gz FSUFGZHSKXZFMJ-JOCQHMNTSA-N 2 0 267.417 1.223 10 0 CDAERP CC[C@@H]1CN(C(=O)[C@H]2CCc3nc[nH]c3C2)C[C@H](C)[NH2+]1 ZINC000620904854 342464417 /nfs/dbraw/zinc/46/44/17/342464417.db2.gz QMTUPRPDASKMFQ-SDDRHHMPSA-N 2 0 276.384 1.114 10 0 CDAERP CCC(CC)[NH2+]C[C@H](O)CO[C@@H]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000675080755 539085905 /nfs/dbraw/zinc/08/59/05/539085905.db2.gz VKPACULMDKNVFG-ARLBYUKCSA-N 2 0 284.444 1.673 10 0 CDAERP [NH3+]CC1(CC[NH2+]C2CCN(Cc3ccncc3)CC2)CC1 ZINC000650713104 398155486 /nfs/dbraw/zinc/15/54/86/398155486.db2.gz GIJGGZMSIHXLEI-UHFFFAOYSA-N 2 0 288.439 1.765 10 0 CDAERP CC(C)(C)n1cc(C[NH2+]CCC2(C[NH3+])CC2)nn1 ZINC000650713743 398156274 /nfs/dbraw/zinc/15/62/74/398156274.db2.gz AAKKEKAUHCYQKY-UHFFFAOYSA-N 2 0 251.378 1.252 10 0 CDAERP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCC1(C[NH3+])CC1 ZINC000650747906 398174130 /nfs/dbraw/zinc/17/41/30/398174130.db2.gz KDWYGXMQGNRUOW-DZGCQCFKSA-N 3 0 261.413 1.664 10 0 CDAERP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000624941078 342023003 /nfs/dbraw/zinc/02/30/03/342023003.db2.gz MWWKPVYXPDPDCA-SOUVJXGZSA-N 2 0 294.443 1.349 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-c2c[nH]cn2)cc1 ZINC000631284446 361795499 /nfs/dbraw/zinc/79/54/99/361795499.db2.gz KANIYUMVKPPQSE-AWEZNQCLSA-N 2 0 284.363 1.901 10 0 CDAERP CC(C)[NH2+][C@@H]1CCc2c(ccc(=O)n2CC[NH+](C)C)C1 ZINC000096067609 185085270 /nfs/dbraw/zinc/08/52/70/185085270.db2.gz BBXRTZBVTVMUDV-CQSZACIVSA-N 2 0 277.412 1.265 10 0 CDAERP [NH3+]CCN1CC[NH2+]C[C@H]1c1ccc2ccccc2n1 ZINC000616635699 342121294 /nfs/dbraw/zinc/12/12/94/342121294.db2.gz KHRUNJMKWTUQIK-HNNXBMFYSA-N 2 0 256.353 1.140 10 0 CDAERP CC(C)OC(=O)CC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592183081 342679453 /nfs/dbraw/zinc/67/94/53/342679453.db2.gz RAPUBCUSUOJHOO-UHFFFAOYSA-N 2 0 284.400 1.125 10 0 CDAERP CC(C)SCC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592184227 342679906 /nfs/dbraw/zinc/67/99/06/342679906.db2.gz HECLUSPIVJAELU-UHFFFAOYSA-N 2 0 272.458 1.925 10 0 CDAERP c1ccc(C[N@H+]2CC=C([C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000409430176 342168571 /nfs/dbraw/zinc/16/85/71/342168571.db2.gz FTVWQLHKWQFBQT-INIZCTEOSA-N 2 0 258.365 1.807 10 0 CDAERP [NH3+]C1(C[NH2+]C2CCC3(CCOCC3)CC2)CCOCC1 ZINC000629389447 361894016 /nfs/dbraw/zinc/89/40/16/361894016.db2.gz XRJMWRCSOJUFHK-UHFFFAOYSA-N 2 0 282.428 1.823 10 0 CDAERP c1ccc(C[N@@H+]2CCO[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000096949601 185138607 /nfs/dbraw/zinc/13/86/07/185138607.db2.gz MKAJNZIPMZMORI-HZPDHXFCSA-N 2 0 260.381 1.887 10 0 CDAERP Cc1nc2ccccn2c1C[NH2+]CCOCCC[NH3+] ZINC000629398869 361918421 /nfs/dbraw/zinc/91/84/21/361918421.db2.gz ZTQFGBYCADIWLA-UHFFFAOYSA-N 2 0 262.357 1.098 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000629399019 361921915 /nfs/dbraw/zinc/92/19/15/361921915.db2.gz ANJKRUPXSLFCJH-AWEZNQCLSA-N 2 0 268.788 1.762 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](C)N(C)c1ccccc1 ZINC000422870603 536595230 /nfs/dbraw/zinc/59/52/30/536595230.db2.gz ZAGBNWOQPDWGBD-HUUCEWRRSA-N 2 0 279.428 1.855 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCCC[NH+]1C ZINC000599311297 344004257 /nfs/dbraw/zinc/00/42/57/344004257.db2.gz LOIBYKQOFSVGLW-UONOGXRCSA-N 2 0 267.417 1.461 10 0 CDAERP C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000629400328 361937972 /nfs/dbraw/zinc/93/79/72/361937972.db2.gz UGDKURXVBPBLOU-RDJZCZTQSA-N 2 0 291.439 1.462 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)NCCC1(C[NH3+])CC1 ZINC000652140498 539036583 /nfs/dbraw/zinc/03/65/83/539036583.db2.gz RJRVWYAHAQZBHM-LBPRGKRZSA-N 2 0 270.421 1.145 10 0 CDAERP CC[C@H](C[NH3+])[C@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC000669376902 539071940 /nfs/dbraw/zinc/07/19/40/539071940.db2.gz AVEIGRIFHCNJDI-CVEARBPZSA-N 2 0 262.397 1.998 10 0 CDAERP COC(=O)c1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cn1C ZINC000594513621 342913073 /nfs/dbraw/zinc/91/30/73/342913073.db2.gz MCHWRAUNLFWDOK-BJHJDKERSA-N 2 0 279.384 1.242 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H]1CCC[NH+](C)C1 ZINC000619363922 349680058 /nfs/dbraw/zinc/68/00/58/349680058.db2.gz CHBSTVQCMLNLRJ-ILXRZTDVSA-N 2 0 296.459 1.500 10 0 CDAERP CC[NH+]1CCC(CC[NH2+][C@H](C)[C@@H]2C[C@@H]2C(=O)OC)CC1 ZINC000594927855 342973838 /nfs/dbraw/zinc/97/38/38/342973838.db2.gz ADADFUOOJFKYSM-SNPRPXQTSA-N 2 0 282.428 1.896 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)C1 ZINC000262034876 282194714 /nfs/dbraw/zinc/19/47/14/282194714.db2.gz XUQXCOGRDXNWNH-MZBWOGCUSA-N 2 0 295.471 1.606 10 0 CDAERP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000594951152 342982153 /nfs/dbraw/zinc/98/21/53/342982153.db2.gz RXXIKQPMIWRAKD-FDZXDKCCSA-N 2 0 268.401 1.646 10 0 CDAERP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C[C@]1(C)CC[NH2+]C1 ZINC000261977791 282215554 /nfs/dbraw/zinc/21/55/54/282215554.db2.gz IWGGVBRGAGPDKR-LVQVYYBASA-N 2 0 281.444 1.170 10 0 CDAERP CN(C)c1nccc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000077488982 342329047 /nfs/dbraw/zinc/32/90/47/342329047.db2.gz CTKVPMXKYXGMSE-CYBMUJFWSA-N 2 0 275.400 1.607 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCCC2(CC2)CC1 ZINC000626115383 342357340 /nfs/dbraw/zinc/35/73/40/342357340.db2.gz RLFHWQYEMVKVHN-AWEZNQCLSA-N 2 0 254.418 1.954 10 0 CDAERP CSCC[C@@H]([NH3+])C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595936914 343202202 /nfs/dbraw/zinc/20/22/02/343202202.db2.gz QVWREGFXJCCDCG-UONOGXRCSA-N 2 0 299.484 1.305 10 0 CDAERP CCOC(=O)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595900254 343186727 /nfs/dbraw/zinc/18/67/27/343186727.db2.gz CMAVRKAMBUGCRX-ZDUSSCGKSA-N 2 0 254.374 1.261 10 0 CDAERP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CC1([NH3+])CCOCC1 ZINC000629518669 362137240 /nfs/dbraw/zinc/13/72/40/362137240.db2.gz ATPLHLFPHTXHAJ-UKRRQHHQSA-N 2 0 278.396 1.860 10 0 CDAERP CCn1ccnc1[C@H](C)NCC1([NH3+])CCOCC1 ZINC000629519778 362139039 /nfs/dbraw/zinc/13/90/39/362139039.db2.gz HJGHYORIWUQWLX-NSHDSACASA-N 2 0 252.362 1.062 10 0 CDAERP CCO[C@@H]1C[C@@H]([NH2+]CCOCC[NH2+]C)C12CCC2 ZINC000629529518 362157369 /nfs/dbraw/zinc/15/73/69/362157369.db2.gz GBFIUNVNSXQLLD-CHWSQXEVSA-N 2 0 256.390 1.160 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H]1C[C@@H](OCC(C)C)C1(C)C ZINC000629529570 362157657 /nfs/dbraw/zinc/15/76/57/362157657.db2.gz HGJNTAIJNNDAQV-ZIAGYGMSSA-N 2 0 272.433 1.652 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000629531772 362163017 /nfs/dbraw/zinc/16/30/17/362163017.db2.gz XQKIPLVDNAVEGD-SOUVJXGZSA-N 3 0 269.433 1.123 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000257732469 344382529 /nfs/dbraw/zinc/38/25/29/344382529.db2.gz VFURBSHQORDKLL-KBPBESRZSA-N 2 0 267.417 1.367 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000623066318 344643930 /nfs/dbraw/zinc/64/39/30/344643930.db2.gz DSQHCPAFYTZZJC-GHMZBOCLSA-N 2 0 264.373 1.605 10 0 CDAERP CC(C)(CO)[NH2+]CCCCCC[NH2+]C(C)(C)CO ZINC000216674901 344825391 /nfs/dbraw/zinc/82/53/91/344825391.db2.gz MWIKRLIMEUDWEH-UHFFFAOYSA-N 2 0 260.422 1.268 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[NH+](C(C)(C)C)C2)CC[N@@H+]1C ZINC000617344843 345177112 /nfs/dbraw/zinc/17/71/12/345177112.db2.gz QOGPIXNXFRMPEY-IHRRRGAJSA-N 2 0 281.444 1.706 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079512209 362643959 /nfs/dbraw/zinc/64/39/59/362643959.db2.gz ZOGOBMSUWHQJPJ-GXTWGEPZSA-N 2 0 253.390 1.119 10 0 CDAERP CCN(C(=O)[C@H](C)Cc1c[nH]cn1)[C@H]1CC[N@H+](C)C1 ZINC000617561648 345855695 /nfs/dbraw/zinc/85/56/95/345855695.db2.gz PQTTUICAYRJLEK-YPMHNXCESA-N 2 0 264.373 1.141 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000623339326 346068570 /nfs/dbraw/zinc/06/85/70/346068570.db2.gz UTKKNAGUBIDCHP-ZIAGYGMSSA-N 2 0 253.434 1.933 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)COc2ccccc2)CC1(C)C ZINC000623351636 346079090 /nfs/dbraw/zinc/07/90/90/346079090.db2.gz YSXYUAMFSVZRNM-LSDHHAIUSA-N 2 0 292.423 1.889 10 0 CDAERP Cn1cc(CC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cn1 ZINC000623364900 346094462 /nfs/dbraw/zinc/09/44/62/346094462.db2.gz ZDPDIAMTKWXXJY-CYBMUJFWSA-N 2 0 250.390 1.425 10 0 CDAERP C[N@H+](CCCC[C@@](C)(O)C[NH3+])CCc1ccncc1 ZINC000085300456 179010188 /nfs/dbraw/zinc/01/01/88/179010188.db2.gz GJJVQACIYHTYBK-OAHLLOKOSA-N 2 0 265.401 1.436 10 0 CDAERP [NH3+][C@H]1CCC[C@@H]1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000085369457 179039316 /nfs/dbraw/zinc/03/93/16/179039316.db2.gz YBHIXYVZEDPHIJ-GJZGRUSLSA-N 2 0 279.428 1.448 10 0 CDAERP CCC[C@H]([NH3+])C(=O)Nc1cc(C[NH+](C)C)ccc1OC ZINC000037018581 346350328 /nfs/dbraw/zinc/35/03/28/346350328.db2.gz XXNDERDSTKYGAC-LBPRGKRZSA-N 2 0 279.384 1.823 10 0 CDAERP CNC(=O)CC[N@@H+]1CCCCC[C@H]1C1CC[NH2+]CC1 ZINC000085403682 179053168 /nfs/dbraw/zinc/05/31/68/179053168.db2.gz RWPRMBMVBLHNLY-AWEZNQCLSA-N 2 0 267.417 1.367 10 0 CDAERP Cc1c(C[N@@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)cnn1C ZINC000571622939 362707234 /nfs/dbraw/zinc/70/72/34/362707234.db2.gz GMXQKSANGAPAOL-WCQYABFASA-N 2 0 250.390 1.548 10 0 CDAERP O[C@@H](C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)COCc1ccco1 ZINC000037904681 346371269 /nfs/dbraw/zinc/37/12/69/346371269.db2.gz BQGIJIPPSNNDKO-ZFWWWQNUSA-N 2 0 294.395 1.231 10 0 CDAERP CC[NH+](CC)C[C@@H](C)n1c(C)nc2c1CC[NH2+]C2 ZINC000085573196 179098475 /nfs/dbraw/zinc/09/84/75/179098475.db2.gz ODRYJPUPOJKCQR-LLVKDONJSA-N 2 0 250.390 1.740 10 0 CDAERP CC[NH+]1CCC(Cn2c(C)nc3c2CC[NH2+]C3)CC1 ZINC000085573304 179098781 /nfs/dbraw/zinc/09/87/81/179098781.db2.gz CFPIXZSMNKBBNP-UHFFFAOYSA-N 2 0 262.401 1.569 10 0 CDAERP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2C[NH2+]C2)C1 ZINC000263307743 362763887 /nfs/dbraw/zinc/76/38/87/362763887.db2.gz ORQZZYCFDKJABX-LBPRGKRZSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)C2C[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000263328965 362775961 /nfs/dbraw/zinc/77/59/61/362775961.db2.gz UFYPEVFMFBNGBR-CZUORRHYSA-N 2 0 287.407 1.375 10 0 CDAERP CCC[C@H]1CN(C2CC[NH+](CCC)CC2)CC[NH2+]1 ZINC000086144528 179237394 /nfs/dbraw/zinc/23/73/94/179237394.db2.gz MZKIPAIEQMETQL-AWEZNQCLSA-N 2 0 253.434 1.935 10 0 CDAERP C[NH+](C)[C@H](CNC1=[NH+]CCCN1)C1CCCCC1 ZINC000066245353 347479271 /nfs/dbraw/zinc/47/92/71/347479271.db2.gz JJJMJEFGQOJFTC-CYBMUJFWSA-N 2 0 252.406 1.436 10 0 CDAERP CC[C@H]1C[NH2+][C@](C)(CC)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086223967 179253042 /nfs/dbraw/zinc/25/30/42/179253042.db2.gz FLRMFUXBCFLKAO-RRFJBIMHSA-N 2 0 253.434 1.933 10 0 CDAERP CC[NH+]1CCC(C[N@@H+]2C[C@@H](C3CC3)NC[C@@H]2C)CC1 ZINC000086259184 179258531 /nfs/dbraw/zinc/25/85/31/179258531.db2.gz XEYVTPMZDFBUAP-BBRMVZONSA-N 2 0 265.445 1.791 10 0 CDAERP COC[C@@](C)(O)CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623535848 347620061 /nfs/dbraw/zinc/62/00/61/347620061.db2.gz GWQJPIXJJBBFSQ-OCCSQVGLSA-N 2 0 258.406 1.236 10 0 CDAERP C[NH+]1CCC(C)(CNC(=O)[C@H]2CCc3nc[nH]c3C2)CC1 ZINC000613350479 347695776 /nfs/dbraw/zinc/69/57/76/347695776.db2.gz KJZOKXVCVAEEGP-LBPRGKRZSA-N 2 0 290.411 1.363 10 0 CDAERP C[NH+](C)CCN(Cc1ccsc1)C(=O)NC/C=C\C[NH3+] ZINC000641862775 365947993 /nfs/dbraw/zinc/94/79/93/365947993.db2.gz RLGWJIWWFBGYED-ARJAWSKDSA-N 2 0 296.440 1.336 10 0 CDAERP CC(C)(C)CC[NH+]1CCN(C(=O)NC/C=C\C[NH3+])CC1 ZINC000641864292 365951178 /nfs/dbraw/zinc/95/11/78/365951178.db2.gz BLWJYZBZHLLMAP-PLNGDYQASA-N 2 0 282.432 1.265 10 0 CDAERP C[C@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000042244436 348720823 /nfs/dbraw/zinc/72/08/23/348720823.db2.gz KQFYBOBRXRDURU-ZDUSSCGKSA-N 2 0 279.428 1.461 10 0 CDAERP C(C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)OC1CCOCC1 ZINC000629537291 362952194 /nfs/dbraw/zinc/95/21/94/362952194.db2.gz OATSPEYGWIBKCS-OAHLLOKOSA-N 2 0 268.401 1.258 10 0 CDAERP Cc1c([C@@H](C)[NH2+]CCOCCC[NH3+])cnn1C(C)(C)C ZINC000629541424 362964801 /nfs/dbraw/zinc/96/48/01/362964801.db2.gz ZPAILJUEEAGSLN-GFCCVEGCSA-N 2 0 282.432 1.963 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000629541272 362965231 /nfs/dbraw/zinc/96/52/31/362965231.db2.gz YQOYYOLFRGQYDL-AWEZNQCLSA-N 2 0 270.323 1.907 10 0 CDAERP Cc1ccc(O)c(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)n1 ZINC000112716567 350590057 /nfs/dbraw/zinc/59/00/57/350590057.db2.gz USYKQOMYUTVASC-UHFFFAOYSA-N 2 0 292.427 1.211 10 0 CDAERP O=C(CC[C@@H]1CCC[NH2+]C1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000621658483 350696888 /nfs/dbraw/zinc/69/68/88/350696888.db2.gz JOHLGXDRXZDPMA-SOUVJXGZSA-N 2 0 279.428 1.224 10 0 CDAERP CCOCCC[N@@H+]1CC[C@@H](N[C@@H]2CC[NH2+][C@H]2C)[C@H](C)C1 ZINC000629548880 362976321 /nfs/dbraw/zinc/97/63/21/362976321.db2.gz RPSVWKHWFSZKLI-QKPAOTATSA-N 2 0 283.460 1.463 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000111269920 186384212 /nfs/dbraw/zinc/38/42/12/186384212.db2.gz YIAUOHWDENNCEG-UKRRQHHQSA-N 2 0 279.428 1.176 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)CCO[C@@H]1CCCC[C@H]1C ZINC000629571263 363020124 /nfs/dbraw/zinc/02/01/24/363020124.db2.gz KBVDHIHFJNDPPZ-HUUCEWRRSA-N 2 0 272.433 1.750 10 0 CDAERP CC(C)NC(=[NH2+])N(C(N)=[NH2+])c1ccc(Cl)cc1 ZINC000005421180 363064025 /nfs/dbraw/zinc/06/40/25/363064025.db2.gz BPQTVKNCZAUUSB-UHFFFAOYSA-N 2 0 253.737 1.973 10 0 CDAERP O=C(N[C@@H]1CCCC[NH2+]C1)N1CCC([NH2+]CC2CC2)CC1 ZINC000333677745 363095049 /nfs/dbraw/zinc/09/50/49/363095049.db2.gz OHIYUYVBJRBLHO-OAHLLOKOSA-N 2 0 294.443 1.302 10 0 CDAERP CCO[C@@H](C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)C1CC1 ZINC000629592351 363102771 /nfs/dbraw/zinc/10/27/71/363102771.db2.gz ATOBXLSSUGCLST-SOUVJXGZSA-N 2 0 252.402 1.733 10 0 CDAERP C[C@H](CNC(=O)N[C@@H]1CCCC[NH2+]C1)[NH+]1CCC(C)CC1 ZINC000333717988 363116429 /nfs/dbraw/zinc/11/64/29/363116429.db2.gz GFXSDXDEYBJSJU-HUUCEWRRSA-N 2 0 296.459 1.548 10 0 CDAERP CC[NH+](CC)[C@H](CNC(=O)[C@H](C)[NH3+])c1ccco1 ZINC000157248855 188305614 /nfs/dbraw/zinc/30/56/14/188305614.db2.gz CVDPEEAPZGTVRT-WDEREUQCSA-N 2 0 253.346 1.126 10 0 CDAERP c1nc2n(n1)[C@H](C[N@@H+]1CC[C@H](C[NH+]3CCCCC3)C1)CC2 ZINC000639496710 363229473 /nfs/dbraw/zinc/22/94/73/363229473.db2.gz HIDKWRJUWWDOFH-CABCVRRESA-N 2 0 289.427 1.573 10 0 CDAERP C[C@H]1CN(C(=O)[C@H]2CC[NH2+]2)CCN1Cc1ccccc1 ZINC000396393316 366092230 /nfs/dbraw/zinc/09/22/30/366092230.db2.gz RTTPICXWXNECRM-DZGCQCFKSA-N 2 0 273.380 1.081 10 0 CDAERP C[C@@H](CNC(=O)N[C@H]1CCCC[NH2+]C1)C[NH+]1CCCCC1 ZINC000333939599 363241483 /nfs/dbraw/zinc/24/14/83/363241483.db2.gz NHWLDDBUUNWOGM-GJZGRUSLSA-N 2 0 296.459 1.550 10 0 CDAERP CCC[N@H+](C)CCCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001660190558 1172172650 /nfs/dbraw/zinc/17/26/50/1172172650.db2.gz PDKWETLNCOHLNY-LSDHHAIUSA-N 2 0 281.444 1.851 10 0 CDAERP CN1CCC[C@H]([NH2+]C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000644548285 366166203 /nfs/dbraw/zinc/16/62/03/366166203.db2.gz ZKHZACPZTUJQDZ-GJZGRUSLSA-N 2 0 282.815 1.927 10 0 CDAERP CC1(C)C[NH2+]CC[C@@H](NC(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000634764499 358499664 /nfs/dbraw/zinc/49/96/64/358499664.db2.gz USIITBXBPTYRSO-CYBMUJFWSA-N 2 0 279.428 1.556 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)[C@H]2CCC[C@@H]21 ZINC000423488312 283135577 /nfs/dbraw/zinc/13/55/77/283135577.db2.gz VGOFZGVVPYYBMK-FZKCQIBNSA-N 3 0 265.445 1.981 10 0 CDAERP C[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000037267549 356381534 /nfs/dbraw/zinc/38/15/34/356381534.db2.gz YAHUWRAMVHPPHA-UBHSHLNASA-N 2 0 265.401 1.118 10 0 CDAERP C[C@@H](CNC(=O)[C@]12CCC[C@H]1C[NH2+]C2)C[NH+]1CCCC1 ZINC000634765977 358503486 /nfs/dbraw/zinc/50/34/86/358503486.db2.gz MJKRAIWNGLPIIA-DZKIICNBSA-N 2 0 279.428 1.224 10 0 CDAERP CC(C)(C)OC(=O)C1(C[NH3+])CC[NH+](CC2CC2)CC1 ZINC000725244939 538446167 /nfs/dbraw/zinc/44/61/67/538446167.db2.gz OFXLAYZEHDFRGG-UHFFFAOYSA-N 2 0 268.401 1.779 10 0 CDAERP CC(C)(C)C[NH2+]CCNc1ccnn1C1C[NH2+]C1 ZINC000725258099 538452786 /nfs/dbraw/zinc/45/27/86/538452786.db2.gz GNHLBSOZSODELO-UHFFFAOYSA-N 2 0 251.378 1.075 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000091543202 357717282 /nfs/dbraw/zinc/71/72/82/357717282.db2.gz WKSWYZQITCBPTF-LSDHHAIUSA-N 2 0 281.444 1.694 10 0 CDAERP O[C@@H](C[NH2+]CC1([C@@H]2CCCCO2)CCC1)C[NH+]1CCCC1 ZINC000634727788 357767654 /nfs/dbraw/zinc/76/76/54/357767654.db2.gz FMVARURROUKUSA-HOTGVXAUSA-N 2 0 296.455 1.772 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000684395781 482791348 /nfs/dbraw/zinc/79/13/48/482791348.db2.gz GEFYEBQUTYNKOF-CABCVRRESA-N 2 0 272.433 1.892 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@@H]([NH3+])Cc1ccccc1)C2 ZINC000634749978 358234357 /nfs/dbraw/zinc/23/43/57/358234357.db2.gz JYWMYXPVIQNSEV-BHYGNILZSA-N 2 0 287.407 1.014 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@H]1[NH2+]CCc3ccccc31)C2 ZINC000634749796 358236402 /nfs/dbraw/zinc/23/64/02/358236402.db2.gz FWEUMWJIWVNTKB-RYQLBKOJSA-N 2 0 299.418 1.331 10 0 CDAERP CCCNC(=O)[C@H]1CCC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261884112 359076669 /nfs/dbraw/zinc/07/66/69/359076669.db2.gz RMUYEYWHVBJSDH-DZGCQCFKSA-N 2 0 267.417 1.224 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1)N(C)C1CC1 ZINC000262047185 359130621 /nfs/dbraw/zinc/13/06/21/359130621.db2.gz ZERPRJISWSEINX-SLBVQIDZSA-N 2 0 281.444 1.216 10 0 CDAERP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccc(S(N)(=O)=O)cc1 ZINC000045663932 359159964 /nfs/dbraw/zinc/15/99/64/359159964.db2.gz GUZUYIQSEYENDF-LBPRGKRZSA-N 2 0 299.440 1.326 10 0 CDAERP C[NH+]1CCC([C@@H]2CCN(C(=O)C3CC[NH2+]CC3)C2)CC1 ZINC000262536491 359176924 /nfs/dbraw/zinc/17/69/24/359176924.db2.gz JXBGIODDWZQYLE-OAHLLOKOSA-N 2 0 279.428 1.176 10 0 CDAERP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000263107218 359231035 /nfs/dbraw/zinc/23/10/35/359231035.db2.gz AARIJFDRQSRHST-LZWOXQAQSA-N 2 0 279.428 1.591 10 0 CDAERP C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)[C@@H]1CCC[NH2+]C1 ZINC000572464091 359542034 /nfs/dbraw/zinc/54/20/34/359542034.db2.gz GAMFWDNNUOLMJG-XPABHHOTSA-N 2 0 264.413 1.922 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H]1CCCC[N@@H+]1CC ZINC000111816650 359644882 /nfs/dbraw/zinc/64/48/82/359644882.db2.gz QQPZUZSOVOOROY-HUUCEWRRSA-N 2 0 298.475 1.890 10 0 CDAERP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2COCC2(C)C)CC[NH2+]CC1 ZINC000423167827 359755698 /nfs/dbraw/zinc/75/56/98/359755698.db2.gz XHPWWYSPKIKSOH-QWHCGFSZSA-N 2 0 298.427 1.322 10 0 CDAERP Cn1cc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c(C(F)(F)F)n1 ZINC000422967274 359724518 /nfs/dbraw/zinc/72/45/18/359724518.db2.gz OUPSSLIPWHKIHL-PSASIEDQSA-N 2 0 276.306 1.656 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](CCOCCO)CC1 ZINC000336736996 359811064 /nfs/dbraw/zinc/81/10/64/359811064.db2.gz ZFTFWMISRHDDFD-UHFFFAOYSA-N 2 0 258.406 1.049 10 0 CDAERP CC[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)[C@@H]1CCOC1 ZINC000423508008 359829463 /nfs/dbraw/zinc/82/94/63/359829463.db2.gz KIQJBJGNPGYOTM-VXLLPVPCSA-N 2 0 295.471 1.608 10 0 CDAERP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cccnc1 ZINC000423511095 359832320 /nfs/dbraw/zinc/83/23/20/359832320.db2.gz NECVCCQFIZWWGB-ODIFPOPNSA-N 2 0 288.439 1.949 10 0 CDAERP C[C@@]([NH3+])(C(=O)N1CC[NH2+]C(C)(C)C1)c1ccccc1 ZINC000335627414 360602643 /nfs/dbraw/zinc/60/26/43/360602643.db2.gz RCNVQTNWTFGGKH-HNNXBMFYSA-N 2 0 261.369 1.071 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)NCCC[NH+]2CCCCC2)C[NH2+]1 ZINC000626925979 360643036 /nfs/dbraw/zinc/64/30/36/360643036.db2.gz VVSRAFKGOVZFHF-KGLIPLIRSA-N 2 0 282.432 1.302 10 0 CDAERP CCOCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001660826676 1172282096 /nfs/dbraw/zinc/28/20/96/1172282096.db2.gz WSDUXJROFHJJRW-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP O=C(NC1CC[NH2+]CC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000335654078 360672888 /nfs/dbraw/zinc/67/28/88/360672888.db2.gz RCEYLCAKJBHYLO-UHFFFAOYSA-N 2 0 294.443 1.256 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(C)c1ncnc(N)c1Cl ZINC000233478954 360844265 /nfs/dbraw/zinc/84/42/65/360844265.db2.gz MWGQWOZUEZEVGG-VIFPVBQESA-N 2 0 269.780 1.633 10 0 CDAERP COC1(C[C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)CCC1 ZINC000429515093 360845019 /nfs/dbraw/zinc/84/50/19/360845019.db2.gz ATLRNIYLZUCNLP-UONOGXRCSA-N 2 0 270.417 1.380 10 0 CDAERP CCC[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)[NH+](C)C ZINC000157725475 360972173 /nfs/dbraw/zinc/97/21/73/360972173.db2.gz UAPDRUQIKXVWKJ-QLFBSQMISA-N 2 0 281.444 1.659 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000431503881 360992534 /nfs/dbraw/zinc/99/25/34/360992534.db2.gz CAZPHFKVMINXSG-OAHLLOKOSA-N 2 0 293.455 1.994 10 0 CDAERP CN(C[C@H](O)C[NH2+][C@@H]1C[C@H]1c1ccccc1)C1CC1 ZINC000389068815 360986687 /nfs/dbraw/zinc/98/66/87/360986687.db2.gz VUSRPXVNNIDSPZ-OWCLPIDISA-N 2 0 260.381 1.587 10 0 CDAERP CC[N@H+](CCNC(=O)CC[C@@H]1CCCC[NH+]1C)C1CC1 ZINC000431799181 361049860 /nfs/dbraw/zinc/04/98/60/361049860.db2.gz HORRUPLGARAWNQ-AWEZNQCLSA-N 2 0 281.444 1.851 10 0 CDAERP CCc1ncc(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)s1 ZINC000336565743 363752324 /nfs/dbraw/zinc/75/23/24/363752324.db2.gz CCBVEDIEHIRVKX-PWSUYJOCSA-N 2 0 251.399 1.889 10 0 CDAERP O=C1CN(Cc2ccc3c(c2)C[NH2+]CC3)[C@@H]2CCCC[C@H]2N1 ZINC000566351125 370691046 /nfs/dbraw/zinc/69/10/46/370691046.db2.gz MAKGYHPKZBBJJM-IAGOWNOFSA-N 2 0 299.418 1.575 10 0 CDAERP CC(C)[NH+]1CCC(N(C)C(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000054307808 361380731 /nfs/dbraw/zinc/38/07/31/361380731.db2.gz DPMQGRDSOFVHJU-CQSZACIVSA-N 2 0 281.444 1.707 10 0 CDAERP CN(CC[NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000417938684 361426660 /nfs/dbraw/zinc/42/66/60/361426660.db2.gz JMQFXNVKDCKQAU-UONOGXRCSA-N 2 0 276.384 1.032 10 0 CDAERP C[C@H]([N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1)C1(C)CC1 ZINC000437541312 361677378 /nfs/dbraw/zinc/67/73/78/361677378.db2.gz BTTWHJDGXZAVIZ-ZDUSSCGKSA-N 2 0 293.455 1.850 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000351488450 361709665 /nfs/dbraw/zinc/70/96/65/361709665.db2.gz VPYRMNDNAPYLTO-CABCVRRESA-N 2 0 293.455 1.851 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(C)CCC[NH+](C)C)C1 ZINC000186433491 364573694 /nfs/dbraw/zinc/57/36/94/364573694.db2.gz RPXWRINBEYDFKH-OAHLLOKOSA-N 2 0 298.475 1.557 10 0 CDAERP Cn1cc(N2CCC[C@H]([NH2+][C@H]3CCC[C@H]([NH3+])C3)C2)cn1 ZINC000580212595 364913038 /nfs/dbraw/zinc/91/30/38/364913038.db2.gz RRBMNLRHQZSGIP-IHRRRGAJSA-N 2 0 277.416 1.248 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](C)[C@H]2CCC[C@H]21 ZINC000353448783 365214153 /nfs/dbraw/zinc/21/41/53/365214153.db2.gz PLHTVSKHVYEELG-QXSJWSMHSA-N 2 0 265.445 1.933 10 0 CDAERP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C)[C@@H]3CCC[C@@H]32)CC[N@@H+]1C ZINC000353530282 365280852 /nfs/dbraw/zinc/28/08/52/365280852.db2.gz LQAULQVZAYSSHA-OXGONZEZSA-N 2 0 265.445 1.932 10 0 CDAERP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)CC1CCCC1 ZINC000516563356 366870245 /nfs/dbraw/zinc/87/02/45/366870245.db2.gz GHVRIBSPAFMXDL-HOCLYGCPSA-N 2 0 283.460 1.153 10 0 CDAERP C[N@H+](CCN1CC[NH2+]CC1)C[C@@H]1CCC(F)(F)C1 ZINC000305926279 365500678 /nfs/dbraw/zinc/50/06/78/365500678.db2.gz CPZQYPSKPAJGRS-GFCCVEGCSA-N 2 0 261.360 1.259 10 0 CDAERP C[C@H](C[NH2+][C@H](C)[C@@H]1C[C@H]1C)CN1CC[NH+](C)CC1 ZINC000414073475 241056054 /nfs/dbraw/zinc/05/60/54/241056054.db2.gz MCWWJJALTKBFCQ-KBUPBQIOSA-N 2 0 253.434 1.504 10 0 CDAERP Cc1ccncc1N1CC[NH+](C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414752673 241367306 /nfs/dbraw/zinc/36/73/06/241367306.db2.gz LBVMAHLFEDVLHQ-HZPDHXFCSA-N 2 0 288.439 1.900 10 0 CDAERP CCN(CC[NH3+])C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000626973464 367115617 /nfs/dbraw/zinc/11/56/17/367115617.db2.gz WBMWLZRGLUDHSU-CHWSQXEVSA-N 2 0 270.421 1.240 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C[NH2+]1 ZINC000626979960 367124417 /nfs/dbraw/zinc/12/44/17/367124417.db2.gz NKJIHHYWENAFHO-HZSPNIEDSA-N 2 0 298.475 1.793 10 0 CDAERP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000626982366 367130786 /nfs/dbraw/zinc/13/07/86/367130786.db2.gz FKBYNJJMGJEBKX-MELADBBJSA-N 2 0 282.432 1.301 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)C[NH2+]1 ZINC000627019598 367243182 /nfs/dbraw/zinc/24/31/82/367243182.db2.gz JEKRJQQAMVUBDK-ZIAGYGMSSA-N 2 0 296.459 1.548 10 0 CDAERP C[C@H]1CC[C@@H](NC(=O)NC2CC[NH+](C3CCC3)CC2)C[NH2+]1 ZINC000627054795 367312073 /nfs/dbraw/zinc/31/20/73/367312073.db2.gz JERHXBNURWRBBD-GXTWGEPZSA-N 2 0 294.443 1.443 10 0 CDAERP C[C@@H]1CCC[C@](CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)([NH+](C)C)C1 ZINC000227798620 367428447 /nfs/dbraw/zinc/42/84/47/367428447.db2.gz KGCZFRXCLCEEIK-KQTLUZQSSA-N 2 0 281.444 1.741 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000627079395 367375715 /nfs/dbraw/zinc/37/57/15/367375715.db2.gz HWMGVFTXLGKAME-JMSVASOKSA-N 2 0 290.411 1.646 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000418109940 367375871 /nfs/dbraw/zinc/37/58/71/367375871.db2.gz VESVGUNYGVKHTQ-JHJVBQTASA-N 2 0 270.421 1.109 10 0 CDAERP C([NH2+][C@@H]1CO[C@@H](C2CC2)C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000667781603 482925652 /nfs/dbraw/zinc/92/56/52/482925652.db2.gz OCPLDMIOTYPSQS-CORIIIEPSA-N 2 0 250.386 1.628 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000627169070 367604360 /nfs/dbraw/zinc/60/43/60/367604360.db2.gz NLUUJKQRYOGJPC-QLFBSQMISA-N 2 0 294.443 1.397 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000417009902 242267509 /nfs/dbraw/zinc/26/75/09/242267509.db2.gz OADBPFJJYSWBAR-HZSPNIEDSA-N 2 0 284.448 1.486 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000417025192 242278053 /nfs/dbraw/zinc/27/80/53/242278053.db2.gz XVDUEDQNDMXXOH-OLZOCXBDSA-N 2 0 284.448 1.676 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)C[C@H]1C ZINC000627199891 367690345 /nfs/dbraw/zinc/69/03/45/367690345.db2.gz FPXZSYIJZPNXPD-YJNKXOJESA-N 2 0 296.459 1.641 10 0 CDAERP CC[NH+](CC)CC[C@@H](CO)NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000567060967 370871213 /nfs/dbraw/zinc/87/12/13/370871213.db2.gz HXXNZHGSBXINOJ-ZNMIVQPWSA-N 2 0 299.459 1.068 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000627238096 367799836 /nfs/dbraw/zinc/79/98/36/367799836.db2.gz AHEWPHSSIDAZFW-SOUVJXGZSA-N 2 0 294.443 1.397 10 0 CDAERP C[NH+](C)C[C@@H](NC(=O)C1=CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000638052868 367810058 /nfs/dbraw/zinc/81/00/58/367810058.db2.gz BRQPWQKZDWBLLJ-HUUCEWRRSA-N 2 0 273.380 1.453 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)CC2(O)CCC2)C[C@@H]1C ZINC000528396763 367825351 /nfs/dbraw/zinc/82/53/51/367825351.db2.gz PTDFXMZXYQYAMS-KKUMJFAQSA-N 2 0 284.444 1.457 10 0 CDAERP COc1cc(C)nc(CN[C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000414861374 367825506 /nfs/dbraw/zinc/82/55/06/367825506.db2.gz WMNLRMDLTBEFPP-CHWSQXEVSA-N 2 0 263.385 1.876 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[NH+]2C2CCCC2)CC[N@@H+]1C ZINC000530028867 368123613 /nfs/dbraw/zinc/12/36/13/368123613.db2.gz RUWYFUPRPQDXFQ-OFQRWUPVSA-N 2 0 293.455 1.850 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC000283879242 368412875 /nfs/dbraw/zinc/41/28/75/368412875.db2.gz JJNVVFUXQWAUJK-AWEZNQCLSA-N 2 0 272.352 1.501 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000418548089 243202022 /nfs/dbraw/zinc/20/20/22/243202022.db2.gz JQDFVZYROLYOTP-QLFBSQMISA-N 2 0 294.443 1.112 10 0 CDAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NC(C)(C)CCC[NH+](C)C ZINC000418568237 243221626 /nfs/dbraw/zinc/22/16/26/243221626.db2.gz HANBSHJNZJACOV-QWHCGFSZSA-N 2 0 284.448 1.404 10 0 CDAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000418575946 243228706 /nfs/dbraw/zinc/22/87/06/243228706.db2.gz NRQJQCQPAGOQAD-DZGCQCFKSA-N 2 0 296.459 1.358 10 0 CDAERP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000418730833 243384778 /nfs/dbraw/zinc/38/47/78/243384778.db2.gz SMJQKEANDPBOKD-KGLIPLIRSA-N 2 0 284.448 1.630 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCCF)C1 ZINC001661321565 1172369808 /nfs/dbraw/zinc/36/98/08/1172369808.db2.gz SIYGFEJUZRZDKP-QWHCGFSZSA-N 2 0 271.380 1.021 10 0 CDAERP CO[C@@H]1CN(CCC[NH+]2CCCCC2)[C@](C)(C[NH3+])C1 ZINC000630368247 368805844 /nfs/dbraw/zinc/80/58/44/368805844.db2.gz PUDKAOCOEUZUKS-GJZGRUSLSA-N 2 0 269.433 1.301 10 0 CDAERP O=C1C[C@@H](c2ccccc2)[N@H+](CC[C@H]2CC[NH2+]C2)CCN1 ZINC000420323430 244082981 /nfs/dbraw/zinc/08/29/81/244082981.db2.gz UGLMBPJPPFKTEP-ZBFHGGJFSA-N 2 0 287.407 1.549 10 0 CDAERP C(C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)OCC1CC1 ZINC000420404345 244205169 /nfs/dbraw/zinc/20/51/69/244205169.db2.gz RWSUGHONFZZKPI-GJZGRUSLSA-N 2 0 252.402 1.877 10 0 CDAERP CC[NH2+][C@@H](C)C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000638302577 369306401 /nfs/dbraw/zinc/30/64/01/369306401.db2.gz RVVMBESSEHGJPG-KBPBESRZSA-N 2 0 277.412 1.621 10 0 CDAERP C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000414946910 370957509 /nfs/dbraw/zinc/95/75/09/370957509.db2.gz UYSZDWVCAKVUKL-RBSFLKMASA-N 2 0 281.444 1.755 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000135264190 369657445 /nfs/dbraw/zinc/65/74/45/369657445.db2.gz NFRMHAVIXBNIBC-HUUCEWRRSA-N 2 0 273.380 1.502 10 0 CDAERP COc1nccnc1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421372649 244675039 /nfs/dbraw/zinc/67/50/39/244675039.db2.gz LGCLZPCDDIECLF-UHFFFAOYSA-N 2 0 264.373 1.448 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCCC[C@@H]2C)CC[N@@H+]1C ZINC000630743190 369959084 /nfs/dbraw/zinc/95/90/84/369959084.db2.gz PCGGBPCULJACQJ-SOUVJXGZSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H](C(=O)N1CC[C@H]([NH+](C)C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000170860096 369965949 /nfs/dbraw/zinc/96/59/49/369965949.db2.gz AJIOEZTVSIWSRQ-CRWXNKLISA-N 2 0 267.417 1.410 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000418231051 370310629 /nfs/dbraw/zinc/31/06/29/370310629.db2.gz FPAMVHXVPMAARJ-TUAOUCFPSA-N 2 0 291.399 1.084 10 0 CDAERP CCC([NH3+])(CC)CNC(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000418230667 370310660 /nfs/dbraw/zinc/31/06/60/370310660.db2.gz FIVYWVAUVSUBTO-SNVBAGLBSA-N 2 0 279.388 1.084 10 0 CDAERP CC(C)(C[NH3+])NC(=O)NCC1([NH3+])CCCCCC1 ZINC000418283349 370462965 /nfs/dbraw/zinc/46/29/65/370462965.db2.gz KFQNSYBGQJGXOF-UHFFFAOYSA-N 2 0 256.394 1.075 10 0 CDAERP COC[C@@H](C)C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000565860784 370551539 /nfs/dbraw/zinc/55/15/39/370551539.db2.gz PKZDFSJKIKGDCM-HNNXBMFYSA-N 2 0 283.460 1.228 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCO[C@H]1CCCC[C@H]1C ZINC000422705398 245163655 /nfs/dbraw/zinc/16/36/55/245163655.db2.gz BTJGXAPLWBBDLD-ILXRZTDVSA-N 2 0 272.433 1.925 10 0 CDAERP COCCN1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000375847408 371000216 /nfs/dbraw/zinc/00/02/16/371000216.db2.gz AWBVXHMXOKHXLI-BBWFWOEESA-N 2 0 295.471 1.560 10 0 CDAERP [NH3+]CC[C@@H]1CCCCN1C(=O)COC1CCC([NH3+])CC1 ZINC000567472550 371002041 /nfs/dbraw/zinc/00/20/41/371002041.db2.gz GSBPCCJWBGYKJB-MOKVOYLWSA-N 2 0 283.416 1.003 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCN[C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422774494 245240681 /nfs/dbraw/zinc/24/06/81/245240681.db2.gz XEZPSHPFIYROSC-OIISXLGYSA-N 2 0 295.471 1.608 10 0 CDAERP C(CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)C[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000376619133 371288822 /nfs/dbraw/zinc/28/88/22/371288822.db2.gz NSTJVZGOZZTCAH-GEEKYZPCSA-N 2 0 280.412 1.493 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)NCC[NH+](C)C2CCCC2)C1 ZINC000171654622 372179055 /nfs/dbraw/zinc/17/90/55/372179055.db2.gz NWEFLYKSTSUEDT-AWEZNQCLSA-N 2 0 296.459 1.644 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[NH+](C3CC3)C[C@@H]2C)CC[N@@H+]1C ZINC000631770642 372395164 /nfs/dbraw/zinc/39/51/64/372395164.db2.gz JRVGHDMRSVAWSX-CYUUQNCZSA-N 2 0 279.428 1.316 10 0 CDAERP C[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)[N@H+](C)C1CC1 ZINC000174735920 372621150 /nfs/dbraw/zinc/62/11/50/372621150.db2.gz YYBOFCUIJWVDBT-DZGCQCFKSA-N 2 0 292.427 1.125 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044683755 373030547 /nfs/dbraw/zinc/03/05/47/373030547.db2.gz RVPHOKCIRPGXIB-ZDUSSCGKSA-N 2 0 259.353 1.112 10 0 CDAERP CC(C)[C@H](C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)[C@@H](C)[NH3+] ZINC000581879134 373296296 /nfs/dbraw/zinc/29/62/96/373296296.db2.gz NQMPPAPKUDNYBX-KBXIAJHMSA-N 2 0 281.444 1.549 10 0 CDAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000333635137 205529502 /nfs/dbraw/zinc/52/95/02/205529502.db2.gz TTXXVOMRYNQVLB-SWLSCSKDSA-N 2 0 294.443 1.158 10 0 CDAERP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1CC[NH2+]C[C@H]1C ZINC000423405429 245791082 /nfs/dbraw/zinc/79/10/82/245791082.db2.gz TXZBAVTWRDTWQE-VRKREXBASA-N 2 0 261.413 1.533 10 0 CDAERP Cc1nccn1CCCN(C)Cc1nnnn1C(C)(C)C ZINC000341297420 373486269 /nfs/dbraw/zinc/48/62/69/373486269.db2.gz XVTSQDNPJVJFGE-UHFFFAOYSA-N 2 0 291.403 1.455 10 0 CDAERP C[C@H](CNC(=O)c1ccc(C[NH+](C)C)nc1)C[NH+](C)C ZINC000341307148 373589383 /nfs/dbraw/zinc/58/93/83/373589383.db2.gz FSBVJIABUJAKED-GFCCVEGCSA-N 2 0 278.400 1.071 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1cc(C)nc(C)c1 ZINC000423567204 245911915 /nfs/dbraw/zinc/91/19/15/245911915.db2.gz ZXBFDAAWZTUIKP-AWEZNQCLSA-N 2 0 251.374 1.542 10 0 CDAERP C[C@@H](CNC(=O)c1ccccc1CC[NH3+])[N@H+](C)C1CC1 ZINC000219966008 373861084 /nfs/dbraw/zinc/86/10/84/373861084.db2.gz NOQYLIOXHISCKR-LBPRGKRZSA-N 2 0 275.396 1.400 10 0 CDAERP COc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CCC[NH2+]C1 ZINC000037018560 373983911 /nfs/dbraw/zinc/98/39/11/373983911.db2.gz IUQUWXVGARZNTE-ZDUSSCGKSA-N 2 0 291.395 1.695 10 0 CDAERP CN(CC(C)(C)C[NH3+])C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418458908 374395672 /nfs/dbraw/zinc/39/56/72/374395672.db2.gz XQUMQNKUBUDEMD-CYBMUJFWSA-N 2 0 278.400 1.313 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000418554860 374408911 /nfs/dbraw/zinc/40/89/11/374408911.db2.gz DIBVHTDHHQTGPP-RBSFLKMASA-N 2 0 296.459 1.500 10 0 CDAERP CC[NH+](CC)CC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000112919023 374507445 /nfs/dbraw/zinc/50/74/45/374507445.db2.gz IABSGLXJIOKZFO-UHFFFAOYSA-N 2 0 281.444 1.663 10 0 CDAERP C[C@H]1C[C@H](NC(=O)N2CC[NH+]3CCC2CC3)C[N@@H+]1C1CC1 ZINC000334318096 374888987 /nfs/dbraw/zinc/88/89/87/374888987.db2.gz RNCNLCNISCYNFO-STQMWFEESA-N 2 0 292.427 1.101 10 0 CDAERP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000417253697 375743328 /nfs/dbraw/zinc/74/33/28/375743328.db2.gz LVJLTQHBYXCKGV-SEBNEYGDSA-N 2 0 296.459 1.484 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000638980906 376339054 /nfs/dbraw/zinc/33/90/54/376339054.db2.gz PAAUQYWKOADUBO-HAQNSBGRSA-N 2 0 253.390 1.057 10 0 CDAERP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631841046 376694676 /nfs/dbraw/zinc/69/46/76/376694676.db2.gz HOOUPYWTKZSQPX-WOPDTQHZSA-N 2 0 255.406 1.206 10 0 CDAERP C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000246895229 377010984 /nfs/dbraw/zinc/01/09/84/377010984.db2.gz JGEBMRWMYYKKSD-JHJVBQTASA-N 2 0 253.390 1.057 10 0 CDAERP CCC[NH+](CCC)CCCNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000417470116 377374564 /nfs/dbraw/zinc/37/45/64/377374564.db2.gz RLRCZHNRSPVJAI-GJZGRUSLSA-N 2 0 298.475 1.796 10 0 CDAERP CC[N@H+](CCNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)C1CC1 ZINC000417485731 377516142 /nfs/dbraw/zinc/51/61/42/377516142.db2.gz LUDNPAVQTBNWHP-AWEZNQCLSA-N 2 0 280.416 1.007 10 0 CDAERP C[C@H]1CN(C(=O)NC2CCC(C[NH+](C)C)CC2)CC[C@@H]1[NH3+] ZINC000334923326 377691239 /nfs/dbraw/zinc/69/12/39/377691239.db2.gz HBTWJHXHTPVAIZ-PPWQZUPISA-N 2 0 296.459 1.486 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](CO)CC[NH+](CC)CC ZINC000572059249 377677716 /nfs/dbraw/zinc/67/77/16/377677716.db2.gz YVNIPMSOADBWJA-GJZGRUSLSA-N 2 0 299.459 1.070 10 0 CDAERP O=C1C[C@@H](c2ccccc2)[N@H+](C[C@H]2CCC[NH2+]C2)CCN1 ZINC000335013496 377803795 /nfs/dbraw/zinc/80/37/95/377803795.db2.gz WYMSNVZECNXDCK-HOCLYGCPSA-N 2 0 287.407 1.549 10 0 CDAERP CCC[C@@H](C(=O)N1CCC[C@@H]([NH+](C)C)C1)[NH+](C)C ZINC000161966236 377808714 /nfs/dbraw/zinc/80/87/14/377808714.db2.gz OQCRPHSEKMZKBS-OLZOCXBDSA-N 2 0 255.406 1.269 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000417541498 377937061 /nfs/dbraw/zinc/93/70/61/377937061.db2.gz YLDBXAFFRPWAJT-APIJFGDWSA-N 2 0 296.459 1.547 10 0 CDAERP O=C(c1ccc2c[nH+]cn2c1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000632863789 377941250 /nfs/dbraw/zinc/94/12/50/377941250.db2.gz JRESHQOBUOPNOU-SWLSCSKDSA-N 2 0 284.363 1.548 10 0 CDAERP CC(C)[C@H]1CN(C(=O)COC2CCC([NH3+])CC2)CC[N@@H+]1C ZINC000634300541 379357098 /nfs/dbraw/zinc/35/70/98/379357098.db2.gz BZNMQBFTSPVPHG-YMAMQOFZSA-N 2 0 297.443 1.072 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000334590281 379463398 /nfs/dbraw/zinc/46/33/98/379463398.db2.gz CCOLDFUXMFXONS-JSGCOSHPSA-N 2 0 267.417 1.221 10 0 CDAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cn[nH]c3)cc2)C1 ZINC000657593654 412920391 /nfs/dbraw/zinc/92/03/91/412920391.db2.gz BEQGQMZIYUURQQ-INIZCTEOSA-N 2 0 286.379 1.266 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655926130 412945723 /nfs/dbraw/zinc/94/57/23/412945723.db2.gz CEHNWPMFUGGGHX-NXEZZACHSA-N 2 0 298.353 1.296 10 0 CDAERP C[N@H+](CCC[C@](C)([NH3+])CO)CCc1ccccn1 ZINC000085216680 184605841 /nfs/dbraw/zinc/60/58/41/184605841.db2.gz FGQYINSBHLAOLC-AWEZNQCLSA-N 2 0 251.374 1.046 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000655967079 412978937 /nfs/dbraw/zinc/97/89/37/412978937.db2.gz LVZWWEATIICDEJ-JNCCQOAMSA-N 2 0 296.459 1.391 10 0 CDAERP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000261762957 296386353 /nfs/dbraw/zinc/38/63/53/296386353.db2.gz NPASHOGFUSAMNX-RBSFLKMASA-N 2 0 295.471 1.988 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)CC1C[NH2+]C1)c1cccs1 ZINC000081765671 177854689 /nfs/dbraw/zinc/85/46/89/177854689.db2.gz POTRVRFCWPFNLG-LLVKDONJSA-N 2 0 267.398 1.077 10 0 CDAERP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)C(F)F ZINC000236566885 285355755 /nfs/dbraw/zinc/35/57/55/285355755.db2.gz OPPJZHDPSMNYMY-WRWGMCAJSA-N 2 0 262.344 1.513 10 0 CDAERP CC1([NH3+])CCN(C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000646991744 390344228 /nfs/dbraw/zinc/34/42/28/390344228.db2.gz MOUHNJFGJRFSNZ-CHWSQXEVSA-N 2 0 267.417 1.624 10 0 CDAERP COC[C@H](CCC[NH3+])NCC[NH2+]C1CCCCCC1 ZINC000423287271 285373268 /nfs/dbraw/zinc/37/32/68/285373268.db2.gz LESAYTIFKPDXQF-HNNXBMFYSA-N 2 0 271.449 1.642 10 0 CDAERP O=C([C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000647060568 390384038 /nfs/dbraw/zinc/38/40/38/390384038.db2.gz GSTKDEDNWXXXEW-XUWVNRHRSA-N 2 0 291.439 1.080 10 0 CDAERP O[C@H]1C[NH2+]C[C@H]1C[NH2+]CCSCc1ccccc1 ZINC000263294209 390537024 /nfs/dbraw/zinc/53/70/24/390537024.db2.gz WCTAKXBRENYDQL-KGLIPLIRSA-N 2 0 266.410 1.090 10 0 CDAERP CCC[NH+](CCC)CCCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000236991868 390601303 /nfs/dbraw/zinc/60/13/03/390601303.db2.gz LZEVLAJQDRXDON-ZIAGYGMSSA-N 2 0 269.433 1.742 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000237677861 390867119 /nfs/dbraw/zinc/86/71/19/390867119.db2.gz JNCICQRMUKRTPN-CHWSQXEVSA-N 2 0 285.457 1.072 10 0 CDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccco2)CC1 ZINC000121081366 390879998 /nfs/dbraw/zinc/87/99/98/390879998.db2.gz PACJOJNWLLAPHI-CYBMUJFWSA-N 2 0 266.385 1.804 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)[C@]2(O)CCOC2)[C@@H]2CCC[C@H]21 ZINC000647341976 390943702 /nfs/dbraw/zinc/94/37/02/390943702.db2.gz FYAQBTHPYSCYAN-MPTYRVRUSA-N 2 0 296.455 1.626 10 0 CDAERP C[NH+](C)Cc1ccc(C(=O)NC[C@H](C2CC2)[NH+](C)C)cn1 ZINC000448752205 390926954 /nfs/dbraw/zinc/92/69/54/390926954.db2.gz ULMAXMWXEJVQOU-OAHLLOKOSA-N 2 0 290.411 1.213 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)NCCC[NH2+]C2CC2)CC1 ZINC000417753479 391032261 /nfs/dbraw/zinc/03/22/61/391032261.db2.gz SZTPJUJLLLZUMN-UHFFFAOYSA-N 2 0 296.459 1.550 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)[C@@H](C)[C@H]1C ZINC000419369023 391064582 /nfs/dbraw/zinc/06/45/82/391064582.db2.gz GUHVYWNZYBBMPV-RDBSUJKOSA-N 2 0 293.455 1.706 10 0 CDAERP CC[N@@H+]1CC[C@@H](C[NH2+]C2CCC(C(=O)OC)CC2)C1 ZINC000192439559 391075491 /nfs/dbraw/zinc/07/54/91/391075491.db2.gz HPZJKEIPBCJWDQ-HSBZDZAISA-N 2 0 268.401 1.650 10 0 CDAERP C[C@H](C[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1)N1CC[NH+](C)CC1 ZINC000527654575 391086996 /nfs/dbraw/zinc/08/69/96/391086996.db2.gz RZQBYSIRUUTASW-VDERGJSUSA-N 2 0 265.445 1.647 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1CCC[N@H+](CC)C1)[NH+](CC)CC ZINC000345320322 391132211 /nfs/dbraw/zinc/13/22/11/391132211.db2.gz PBYSLAMSAHNNGE-KBPBESRZSA-N 2 0 269.433 1.707 10 0 CDAERP CCC(=O)N[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414689710 391343720 /nfs/dbraw/zinc/34/37/20/391343720.db2.gz GOGMGPUATVSBHR-BFHYXJOUSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000417325995 391352418 /nfs/dbraw/zinc/35/24/18/391352418.db2.gz JZJWQDKROBAIAT-CBBWQLFWSA-N 2 0 296.459 1.404 10 0 CDAERP CC(C)[C@@H](O)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000366588501 391399176 /nfs/dbraw/zinc/39/91/76/391399176.db2.gz CDFOGZTYRZLSFC-WFVVYAPDSA-N 2 0 295.471 1.246 10 0 CDAERP C[C@@H]1CN(C(=O)CCC2CC[NH2+]CC2)C[C@@]1(C)C[NH3+] ZINC000417849437 391518883 /nfs/dbraw/zinc/51/88/83/391518883.db2.gz WMUWATQZESPEQF-IUODEOHRSA-N 2 0 267.417 1.210 10 0 CDAERP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CC[C@@H]1CCCOC1 ZINC000527924765 391549552 /nfs/dbraw/zinc/54/95/52/391549552.db2.gz HNZHNGGJRMVLBY-VNHYZAJKSA-N 2 0 252.402 1.875 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000417832199 391500603 /nfs/dbraw/zinc/50/06/03/391500603.db2.gz KXFHCCXSMDFYLD-OLZOCXBDSA-N 2 0 267.417 1.398 10 0 CDAERP CC(C)[N@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000126953487 391592653 /nfs/dbraw/zinc/59/26/53/391592653.db2.gz RLZKISMHKWOONU-GJZGRUSLSA-N 2 0 281.444 1.563 10 0 CDAERP C1C([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1[NH+]1CCCCC1 ZINC000647796819 391648232 /nfs/dbraw/zinc/64/82/32/391648232.db2.gz OGUNJNPUUFEZIW-KWJBXHGQSA-N 3 0 277.456 1.981 10 0 CDAERP CC[C@H]1[C@H](CO)CC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000451264015 391650716 /nfs/dbraw/zinc/65/07/16/391650716.db2.gz ZTZHVGKOTBDBDS-IRXDYDNUSA-N 2 0 297.487 1.495 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)[C@H](C)[NH3+])C1 ZINC000417550802 391656493 /nfs/dbraw/zinc/65/64/93/391656493.db2.gz MISUXCMSUZJKNB-AVGNSLFASA-N 2 0 270.421 1.142 10 0 CDAERP CCN(CCC[NH+](C)C)c1ccnc(N2CCOCC2)n1 ZINC000425255740 391658282 /nfs/dbraw/zinc/65/82/82/391658282.db2.gz NYKVSUTXOIAJGA-UHFFFAOYSA-N 2 0 293.415 1.091 10 0 CDAERP [NH3+]CCCNC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000417653198 391719679 /nfs/dbraw/zinc/71/96/79/391719679.db2.gz QJHCFBIEHVIKLR-HNNXBMFYSA-N 2 0 290.411 1.299 10 0 CDAERP C([NH2+]C1CCC([NH+]2CCNCC2)CC1)[C@@H]1CCCOC1 ZINC000415048290 391736912 /nfs/dbraw/zinc/73/69/12/391736912.db2.gz GBRDMTLQHWXCGK-FHERZECASA-N 2 0 281.444 1.219 10 0 CDAERP CCN(C)c1ccc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cn1 ZINC000415055508 391738005 /nfs/dbraw/zinc/73/80/05/391738005.db2.gz NDWXMZZCNINEAX-CZUORRHYSA-N 2 0 276.428 1.954 10 0 CDAERP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000649294181 391906544 /nfs/dbraw/zinc/90/65/44/391906544.db2.gz BDZFTIQZUBKXTK-KFWWJZLASA-N 2 0 277.412 1.071 10 0 CDAERP C[C@H]1CC[NH2+]CC[C@@H]1NC1CC([NH+]2CCCCC2)C1 ZINC000335020905 392008480 /nfs/dbraw/zinc/00/84/80/392008480.db2.gz CUEUXGSBNPKKLW-LBDPXKHJSA-N 2 0 265.445 1.981 10 0 CDAERP C[NH+]1CCC2(CC1)C[N@H+](CCOc1ccccc1)CCO2 ZINC000646103603 392010952 /nfs/dbraw/zinc/01/09/52/392010952.db2.gz YNKZFFDDWWKDAZ-UHFFFAOYSA-N 2 0 290.407 1.862 10 0 CDAERP CC(C)[C@H](C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[C@@H](C)[NH3+] ZINC000649319205 392012427 /nfs/dbraw/zinc/01/24/27/392012427.db2.gz OKRNPMGKBSHPLA-RISCZKNCSA-N 2 0 287.367 1.825 10 0 CDAERP CC(C)(C)[C@@H](O)C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000336807486 392092560 /nfs/dbraw/zinc/09/25/60/392092560.db2.gz KKRLOWPPBDRNAL-KGLIPLIRSA-N 2 0 270.417 1.048 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1CC[NH2+]C12CCCC2)[NH+](CC)CC ZINC000649373027 392124946 /nfs/dbraw/zinc/12/49/46/392124946.db2.gz NRIVRSCKWZDJHX-KBPBESRZSA-N 2 0 281.444 1.898 10 0 CDAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCC1CC[NH2+]CC1 ZINC000251936960 392244789 /nfs/dbraw/zinc/24/47/89/392244789.db2.gz ZGFOSIYJGLWNPV-ZFWWWQNUSA-N 2 0 279.428 1.461 10 0 CDAERP Cc1nc(N(C)C)nc(N2CCC(C[NH+](C)C)CC2)n1 ZINC000488381435 392346906 /nfs/dbraw/zinc/34/69/06/392346906.db2.gz BUXJWWNQGGXHDL-UHFFFAOYSA-N 2 0 278.404 1.024 10 0 CDAERP C1C[C@@H]([C@H]2CCCC[C@H]2[NH2+]C2CC[NH2+]CC2)CO1 ZINC000423179622 392419338 /nfs/dbraw/zinc/41/93/38/392419338.db2.gz HPPUEIZHUGQSPF-BPLDGKMQSA-N 2 0 252.402 1.923 10 0 CDAERP [NH3+][C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000423231951 392459246 /nfs/dbraw/zinc/45/92/46/392459246.db2.gz BKDFPAJFHSUIBT-HRCADAONSA-N 2 0 259.397 1.903 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC[C@H](O)C(F)F ZINC000631216708 392404044 /nfs/dbraw/zinc/40/40/44/392404044.db2.gz QYRQCJZAFPUEMC-ZDUSSCGKSA-N 2 0 296.321 1.681 10 0 CDAERP CC(C)[C@H]1CN(C(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC[NH2+]1 ZINC000646327510 392527087 /nfs/dbraw/zinc/52/70/87/392527087.db2.gz CTPGJOYDUDIEBZ-SOUVJXGZSA-N 2 0 281.444 1.741 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+][C@@H](C)Cc2ccoc2)CC1 ZINC000449221991 392715968 /nfs/dbraw/zinc/71/59/68/392715968.db2.gz VDPUZTKVDIDUKF-HNNXBMFYSA-N 2 0 279.428 1.828 10 0 CDAERP C[C@@H]1CN(C)C[C@@H]1[NH2+]CC(C)(C)C1(O)CCCC1 ZINC000449735273 392890393 /nfs/dbraw/zinc/89/03/93/392890393.db2.gz GVVNJJUAZNBLOT-OLZOCXBDSA-N 2 0 254.418 1.857 10 0 CDAERP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000195127805 393066024 /nfs/dbraw/zinc/06/60/24/393066024.db2.gz BVSMQZLXNSKHHS-QWHCGFSZSA-N 2 0 270.421 1.110 10 0 CDAERP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2C[C@@H](C)[C@@H]2C)CC1 ZINC000495054608 393166087 /nfs/dbraw/zinc/16/60/87/393166087.db2.gz VLWIQXYPRPMHCF-HZSPNIEDSA-N 2 0 254.418 1.856 10 0 CDAERP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[C@H]1C)CN1CC[NH+](C)CC1 ZINC000495077642 393172474 /nfs/dbraw/zinc/17/24/74/393172474.db2.gz GAPCYBKFMMGQBD-KBUPBQIOSA-N 2 0 253.434 1.504 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000494874986 393119507 /nfs/dbraw/zinc/11/95/07/393119507.db2.gz AUSSSVOBTAMHOJ-UONOGXRCSA-N 2 0 281.444 1.898 10 0 CDAERP CC[C@@H]([NH2+]C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000662484610 413057494 /nfs/dbraw/zinc/05/74/94/413057494.db2.gz NBKMJFKIMQTVNI-HZSPNIEDSA-N 2 0 267.417 1.458 10 0 CDAERP COCCN1CCC[C@H]1C[NH2+]C1CCC(NC(C)=O)CC1 ZINC000132843764 393141965 /nfs/dbraw/zinc/14/19/65/393141965.db2.gz FEWZMUMXPVORMT-GPANFISMSA-N 2 0 297.443 1.134 10 0 CDAERP C[NH2+]CCCC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000251855565 140314758 /nfs/dbraw/zinc/31/47/58/140314758.db2.gz RYEPZGJUJOBNBX-OLZOCXBDSA-N 2 0 253.390 1.071 10 0 CDAERP CC[C@H](C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)[NH+](CC)CC ZINC000261652899 140369549 /nfs/dbraw/zinc/36/95/49/140369549.db2.gz BMHWAOJPGKEOKW-QLFBSQMISA-N 2 0 281.444 1.565 10 0 CDAERP CN(C)C(=O)c1ccc(CN2CC[C@H]([NH3+])C(C)(C)C2)[nH]1 ZINC000261711569 140378392 /nfs/dbraw/zinc/37/83/92/140378392.db2.gz MOMUUJQYRWGKDM-ZDUSSCGKSA-N 2 0 278.400 1.276 10 0 CDAERP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000261764853 140387097 /nfs/dbraw/zinc/38/70/97/140387097.db2.gz FLZYDSSPADUIMB-MJBXVCDLSA-N 2 0 297.443 1.119 10 0 CDAERP NCc1nc(CN2CCC[C@@H]2c2ccccc2)no1 ZINC000261847210 140397504 /nfs/dbraw/zinc/39/75/04/140397504.db2.gz VADHBTAHIAVYGX-GFCCVEGCSA-N 2 0 258.325 1.865 10 0 CDAERP [NH3+][C@H](CNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+])C1CC1 ZINC000261974582 140413546 /nfs/dbraw/zinc/41/35/46/140413546.db2.gz VDTWSDDRXOVYNO-RWMBFGLXSA-N 2 0 253.390 1.138 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(OCCCO)CC1 ZINC000675501700 483321542 /nfs/dbraw/zinc/32/15/42/483321542.db2.gz FWIKBKXHFUVKSO-HNNXBMFYSA-N 2 0 284.444 1.724 10 0 CDAERP C[C@H]([NH2+]CCOCC[NH+](C)C)C(C)(C)C(F)F ZINC000657987502 413122222 /nfs/dbraw/zinc/12/22/22/413122222.db2.gz PSOFNYJBCADFAP-JTQLQIEISA-N 2 0 252.349 1.834 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)C1CCC([NH3+])CC1 ZINC000037626671 398097502 /nfs/dbraw/zinc/09/75/02/398097502.db2.gz WNULGHSGEGASBP-JXQTWKCFSA-N 2 0 269.433 1.596 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)C2CCC([NH3+])CC2)CC1 ZINC000037821728 398112333 /nfs/dbraw/zinc/11/23/33/398112333.db2.gz WWZFSYZTHYJKQY-UHFFFAOYSA-N 2 0 267.417 1.304 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000658110046 413210335 /nfs/dbraw/zinc/21/03/35/413210335.db2.gz ZOHSRCHEFZCGGM-KKUMJFAQSA-N 2 0 293.459 1.751 10 0 CDAERP [NH3+][C@H]1CCC[C@@H](C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000178707583 148077912 /nfs/dbraw/zinc/07/79/12/148077912.db2.gz WAQZMIVPLPVRRY-KGLIPLIRSA-N 2 0 279.428 1.495 10 0 CDAERP CC[C@@H](C)C[NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001664112009 1172811107 /nfs/dbraw/zinc/81/11/07/1172811107.db2.gz ZLLFQAVPNYDOMQ-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP CCOCC[N@@H+]1CCN(C[C@]2(C)CC[NH2+]C2)C[C@@H]1CC ZINC000262066094 149007003 /nfs/dbraw/zinc/00/70/03/149007003.db2.gz RRJKHTYGYMANDO-JKSUJKDBSA-N 2 0 283.460 1.419 10 0 CDAERP [NH3+]C[C@H](NC(=O)[C@H]1CCC[C@@H]([NH3+])C1)C1CCCCC1 ZINC000262614036 149083226 /nfs/dbraw/zinc/08/32/26/149083226.db2.gz ZRKQIJJLOIYDQM-MJBXVCDLSA-N 2 0 267.417 1.528 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)[C@@](C)([NH3+])CCC)CC1 ZINC000262705076 149100393 /nfs/dbraw/zinc/10/03/93/149100393.db2.gz LKOUBHSNZBFGHW-HNNXBMFYSA-N 2 0 269.433 1.742 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)CC[NH2+]Cc1ccsc1 ZINC001664289386 1172836084 /nfs/dbraw/zinc/83/60/84/1172836084.db2.gz APSSKGDXFSALFO-UHFFFAOYSA-N 2 0 283.441 1.638 10 0 CDAERP O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CCC(C[NH+]2CCCC2)CC1 ZINC000335823659 151051666 /nfs/dbraw/zinc/05/16/66/151051666.db2.gz PCGSJGAVMYTTIG-DOTOQJQBSA-N 2 0 291.439 1.320 10 0 CDAERP C[C@H]1C[N@H+](C)C[C@@H]1NCCC[NH+]1CCc2ccccc2C1 ZINC000343192645 152063586 /nfs/dbraw/zinc/06/35/86/152063586.db2.gz NRBLDFRBEUPONY-YJBOKZPZSA-N 2 0 287.451 1.975 10 0 CDAERP CCc1ccc([C@@H](CNC(=O)CC2([NH3+])CC2)[NH+](C)C)cc1 ZINC000662662912 413270123 /nfs/dbraw/zinc/27/01/23/413270123.db2.gz KRKRQKIIIKDDNX-OAHLLOKOSA-N 2 0 289.423 1.849 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCCC[NH+](C)C ZINC000346141752 153068605 /nfs/dbraw/zinc/06/86/05/153068605.db2.gz ZQTRDEBHNQQTIZ-CHWSQXEVSA-N 2 0 255.406 1.317 10 0 CDAERP COCC[N@@H+]1CC[C@@H](NC2CC[NH+](C3CCC3)CC2)C1 ZINC000346172550 153082996 /nfs/dbraw/zinc/08/29/96/153082996.db2.gz JMAPGIRBPNAKBG-OAHLLOKOSA-N 2 0 281.444 1.314 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CC[NH2+]1 ZINC000662669453 413280806 /nfs/dbraw/zinc/28/08/06/413280806.db2.gz ZLBDRQFJYGZDHF-KKUMJFAQSA-N 2 0 293.455 1.898 10 0 CDAERP CC1CC[NH+](CCCNC(=O)C2([NH3+])CC3(CCC3)C2)CC1 ZINC000662671077 413285159 /nfs/dbraw/zinc/28/51/59/413285159.db2.gz LFAOZUZOVQZJMX-UHFFFAOYSA-N 2 0 293.455 1.886 10 0 CDAERP [NH3+][C@H](Cc1cn([C@@H]2CCC[NH2+]C2)nn1)c1ccccc1 ZINC000656466991 413322289 /nfs/dbraw/zinc/32/22/89/413322289.db2.gz IMMHETDLBDJCIJ-HUUCEWRRSA-N 2 0 271.368 1.445 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC(C)(C)C[NH+](C)C ZINC000354307286 156378804 /nfs/dbraw/zinc/37/88/04/156378804.db2.gz ZBBJXWILCXUZFT-ZDUSSCGKSA-N 2 0 269.433 1.565 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]CC2CCC(O)CC2)[C@@H](C)C1 ZINC000658283277 413335251 /nfs/dbraw/zinc/33/52/51/413335251.db2.gz FCEIPYKBXNNHNG-PPWQZUPISA-N 2 0 254.418 1.857 10 0 CDAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C1([NH2+]C2CC2)CCC1 ZINC000662711056 413364055 /nfs/dbraw/zinc/36/40/55/413364055.db2.gz KKLVRUZSNAHCPR-UHFFFAOYSA-N 2 0 297.362 1.881 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@H]1C[NH+](C)C)[NH+](CC)CC ZINC000359791544 158378957 /nfs/dbraw/zinc/37/89/57/158378957.db2.gz HHKSIWPIYNQHNQ-UONOGXRCSA-N 2 0 269.433 1.659 10 0 CDAERP CCN(C(=O)NCCC[NH+]1CCCC1)[C@@H]1CC[N@H+](CC)C1 ZINC000656545671 413420667 /nfs/dbraw/zinc/42/06/67/413420667.db2.gz OYNARSFHKYWGKY-OAHLLOKOSA-N 2 0 296.459 1.598 10 0 CDAERP Cc1cccnc1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000404944291 413432280 /nfs/dbraw/zinc/43/22/80/413432280.db2.gz OKTCZTPHUFJJLA-RBSFLKMASA-N 2 0 259.397 1.910 10 0 CDAERP O=C(N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)C1([NH2+]C2CC2)CCC1 ZINC000662759247 413446207 /nfs/dbraw/zinc/44/62/07/413446207.db2.gz BPCBGJKOPIGXJR-ZFWWWQNUSA-N 2 0 291.439 1.652 10 0 CDAERP C[C@@H](O)CC[N@H+](C)[C@H]1CCC[NH+](CC[C@H](C)O)CC1 ZINC000411405127 287078499 /nfs/dbraw/zinc/07/84/99/287078499.db2.gz YLSXGTJEFKCDJW-ILXRZTDVSA-N 2 0 272.433 1.315 10 0 CDAERP C[C@H](CNC(=O)N[C@@H](C)[C@H](C)[NH3+])C[NH+]1CCCCC1 ZINC000417171054 298730363 /nfs/dbraw/zinc/73/03/63/298730363.db2.gz DFWHFFPTGNNKBA-AGIUHOORSA-N 2 0 270.421 1.143 10 0 CDAERP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000662255090 411634644 /nfs/dbraw/zinc/63/46/44/411634644.db2.gz CQKAQELHXITKCC-GJZGRUSLSA-N 2 0 280.412 1.400 10 0 CDAERP C[N@@H+]1CCCN(Cc2ccc(C[NH3+])cc2F)CC1 ZINC000020217537 171079711 /nfs/dbraw/zinc/07/97/11/171079711.db2.gz BGYGNZCLCQXKNX-UHFFFAOYSA-N 2 0 251.349 1.422 10 0 CDAERP CC[C@H]1CCCC[N@@H+]1CCCCN1CC[NH2+]CC1 ZINC000020270298 171126020 /nfs/dbraw/zinc/12/60/20/171126020.db2.gz KHYREQIHGZBABM-HNNXBMFYSA-N 2 0 253.434 1.936 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(C[NH3+])cc1 ZINC000022155953 171362318 /nfs/dbraw/zinc/36/23/18/171362318.db2.gz GEWKZJCQNYZNDY-LBPRGKRZSA-N 2 0 261.369 1.958 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)c1c[nH+]ccc1N ZINC000653176149 412116395 /nfs/dbraw/zinc/11/63/95/412116395.db2.gz LAVYFMZADJUVDB-UHFFFAOYSA-N 2 0 264.373 1.202 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)NCCC1(C[NH3+])CC1 ZINC000653222421 412150682 /nfs/dbraw/zinc/15/06/82/412150682.db2.gz ARNKLYRMYAJVBE-NSHDSACASA-N 2 0 253.390 1.010 10 0 CDAERP CC[C@@H]([NH2+]C)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000662776866 413482516 /nfs/dbraw/zinc/48/25/16/413482516.db2.gz PXTCUIGMXWHZSO-LLVKDONJSA-N 2 0 265.332 1.408 10 0 CDAERP O=C(NCCC[C@@H]1CCC[NH2+]1)C1([NH2+]C2CC2)CCC1 ZINC000662786390 413497876 /nfs/dbraw/zinc/49/78/76/413497876.db2.gz WCZMNJKAIOPZMO-LBPRGKRZSA-N 2 0 265.401 1.310 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662791324 413508834 /nfs/dbraw/zinc/50/88/34/413508834.db2.gz JMRIQVAFTXLWMH-NSHDSACASA-N 2 0 296.415 1.719 10 0 CDAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)C3([NH2+]C4CC4)CCC3)CC[C@H]21 ZINC000662803836 413522531 /nfs/dbraw/zinc/52/25/31/413522531.db2.gz MMZZYAXOVHSTOJ-UKRRQHHQSA-N 2 0 291.439 1.604 10 0 CDAERP CCO[C@@H]1CN([C@H](C)C(=O)N2CCCCCC2)C[C@H]1C[NH3+] ZINC000405583623 413634295 /nfs/dbraw/zinc/63/42/95/413634295.db2.gz KXQDXXDIRKNZTP-RBSFLKMASA-N 2 0 297.443 1.073 10 0 CDAERP CN(Cc1ccc2c(c1)sc(=O)n2C)CC(C)(C)[NH3+] ZINC000656785421 413660473 /nfs/dbraw/zinc/66/04/73/413660473.db2.gz OPERDAMMGILHFU-UHFFFAOYSA-N 2 0 279.409 1.769 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H](Nc2ccc([C@H]3C[NH2+]CCO3)cc2)C1 ZINC000656793889 413660960 /nfs/dbraw/zinc/66/09/60/413660960.db2.gz WHXHKNKANGHVQA-APHBMKBZSA-N 2 0 275.396 1.757 10 0 CDAERP CC[C@@H](C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[NH+](CC)CC ZINC000662945939 413725897 /nfs/dbraw/zinc/72/58/97/413725897.db2.gz YANLSQVQQHFZGP-UTUOFQBUSA-N 2 0 259.369 1.005 10 0 CDAERP CC[NH+]1CCC(NC(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000659427725 413807612 /nfs/dbraw/zinc/80/76/12/413807612.db2.gz SAMOJCQHVHHFCR-CYBMUJFWSA-N 2 0 270.421 1.143 10 0 CDAERP CC1(C)C[NH2+][C@H]1C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659366449 413750158 /nfs/dbraw/zinc/75/01/58/413750158.db2.gz KBUUMNGBWBNSRM-KGLIPLIRSA-N 2 0 289.379 1.284 10 0 CDAERP [NH3+][C@@H](CCC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1ccccc1 ZINC000659388373 413772334 /nfs/dbraw/zinc/77/23/34/413772334.db2.gz DRJOXQPZODWWCS-HZSPNIEDSA-N 2 0 279.359 1.364 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCN(c3ccccn3)C2)C1 ZINC000654951158 413839289 /nfs/dbraw/zinc/83/92/89/413839289.db2.gz LQMWXPXQVSEHTC-ZIAGYGMSSA-N 2 0 288.395 1.118 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659494602 413884682 /nfs/dbraw/zinc/88/46/82/413884682.db2.gz YOBFFCBVEUMULA-UONOGXRCSA-N 2 0 286.464 1.779 10 0 CDAERP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407284338 413915508 /nfs/dbraw/zinc/91/55/08/413915508.db2.gz VRXPKNGVKVZLCC-OLZOCXBDSA-N 2 0 267.417 1.221 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1)C[NH+]1CCCCC1 ZINC000407366801 413946239 /nfs/dbraw/zinc/94/62/39/413946239.db2.gz KETNFPIPLWSLNA-BMFZPTHFSA-N 2 0 293.455 1.755 10 0 CDAERP CN(CC1C[NH+](C)C1)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000661297211 413967358 /nfs/dbraw/zinc/96/73/58/413967358.db2.gz HVBBRSLTIYKPDR-UHFFFAOYSA-N 2 0 282.432 1.064 10 0 CDAERP CCCN(CC[NH+](CC)CC)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659615227 414022549 /nfs/dbraw/zinc/02/25/49/414022549.db2.gz KAPZGKRTHFVPJF-UHFFFAOYSA-N 2 0 296.459 1.502 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000659621855 414031755 /nfs/dbraw/zinc/03/17/55/414031755.db2.gz KMEHZDOGASAVAO-ZNMIVQPWSA-N 2 0 296.459 1.486 10 0 CDAERP C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)[C@@H]1CC1(C)C ZINC000665292851 414034683 /nfs/dbraw/zinc/03/46/83/414034683.db2.gz KUNKGEOXLOYKGT-SCZZXKLOSA-N 2 0 250.346 1.165 10 0 CDAERP CCN(C)C(=O)C[N@H+](CCC[NH3+])C1CCCCCC1 ZINC000037223149 173044129 /nfs/dbraw/zinc/04/41/29/173044129.db2.gz CHBFGSWOILFCEU-UHFFFAOYSA-N 2 0 269.433 1.838 10 0 CDAERP CCNC(=O)[C@@H](C)[N@H+](CCC[NH3+])C1CCCCCC1 ZINC000037299896 173105819 /nfs/dbraw/zinc/10/58/19/173105819.db2.gz AKDGUJYSWXOEEQ-CYBMUJFWSA-N 2 0 269.433 1.885 10 0 CDAERP COc1cccc(C[NH2+]CCN2CC[NH+](C)CC2)c1 ZINC000037496746 173235849 /nfs/dbraw/zinc/23/58/49/173235849.db2.gz WGYGDULBHKVMKD-UHFFFAOYSA-N 2 0 263.385 1.032 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)NC(C)(C)C[NH+]2CCCC2)C1 ZINC000655131660 414076282 /nfs/dbraw/zinc/07/62/82/414076282.db2.gz IURYWKCLAZULCF-CYBMUJFWSA-N 2 0 282.432 1.254 10 0 CDAERP CCCN(C(=O)CN1CC(C)(C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000655157688 414127657 /nfs/dbraw/zinc/12/76/57/414127657.db2.gz ICHKUQQYZNLGJL-CYBMUJFWSA-N 2 0 267.417 1.271 10 0 CDAERP CC[C@H]1C[N@H+](C)CCN1C(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000665356286 414095647 /nfs/dbraw/zinc/09/56/47/414095647.db2.gz LNRACKFQQZDUQB-UONOGXRCSA-N 2 0 296.459 1.595 10 0 CDAERP C[NH+](C)CC1CC[NH+](CCO[C@@H]2CC2(F)F)CC1 ZINC000659845128 414174505 /nfs/dbraw/zinc/17/45/05/414174505.db2.gz QWFSUNNBDVJGDH-GFCCVEGCSA-N 2 0 262.344 1.684 10 0 CDAERP COC[C@H](C[NH+]1CCC(CC[NH+](C)C)CC1)OC ZINC000659853611 414186607 /nfs/dbraw/zinc/18/66/07/414186607.db2.gz UNIFWIKHVWHJOR-AWEZNQCLSA-N 2 0 258.406 1.312 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC000655802419 414196196 /nfs/dbraw/zinc/19/61/96/414196196.db2.gz AZWYIVTUXBUNID-UAGQMJEPSA-N 2 0 295.471 1.560 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000655804915 414197157 /nfs/dbraw/zinc/19/71/57/414197157.db2.gz FXGIHBDHYRGCAX-ZQDZILKHSA-N 3 0 251.418 1.543 10 0 CDAERP O[C@H](C[NH2+]CC1CC[NH+](CC2CC2)CC1)C(F)(F)F ZINC000663375934 414198079 /nfs/dbraw/zinc/19/80/79/414198079.db2.gz XTOJRKGEFWMPRG-GFCCVEGCSA-N 2 0 280.334 1.621 10 0 CDAERP CC[C@@H]1C[C@@H]([NH2+]C[C@H](C)CN2CC[NH+](CC)CC2)CO1 ZINC000657347811 414206427 /nfs/dbraw/zinc/20/64/27/414206427.db2.gz YBUJADLKRYEYJV-ARFHVFGLSA-N 2 0 283.460 1.417 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CCc3c(cccc3C(N)=O)C2)CC[NH2+]1 ZINC000663512559 414316502 /nfs/dbraw/zinc/31/65/02/414316502.db2.gz GGWRMEPDIHAURL-CHWSQXEVSA-N 2 0 287.407 1.532 10 0 CDAERP C[C@H]1CCCN(Cc2nc3c(s2)C[NH2+]CC3)[C@H]1CC[NH3+] ZINC000663495792 414291785 /nfs/dbraw/zinc/29/17/85/414291785.db2.gz BBOXEFGEQLDKDX-AAEUAGOBSA-N 2 0 294.468 1.738 10 0 CDAERP C[C@@H]1C[C@H](C)N(Cc2nc3c(s2)C[NH2+]CC3)C[C@@H]1C[NH3+] ZINC000663496266 414293356 /nfs/dbraw/zinc/29/33/56/414293356.db2.gz FMVNSBXQMILUCQ-WOPDTQHZSA-N 2 0 294.468 1.594 10 0 CDAERP COc1cc(C[NH2+]CC[C@@H]([NH3+])C(C)C)cc2c1OCO2 ZINC000663498612 414296931 /nfs/dbraw/zinc/29/69/31/414296931.db2.gz QJQKRKPBKFGOHF-GFCCVEGCSA-N 2 0 280.368 1.887 10 0 CDAERP CC[C@H]1C[C@@H]([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)CO1 ZINC000657419579 414312906 /nfs/dbraw/zinc/31/29/06/414312906.db2.gz NPFKPWSATVWSAD-ILXRZTDVSA-N 2 0 299.459 1.236 10 0 CDAERP C(C[NH+]1CC[C@H]2COC[C@@H]2C1)C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662036191 414482153 /nfs/dbraw/zinc/48/21/53/414482153.db2.gz RBNNYPRSDPNSKL-YVSFHVDLSA-N 2 0 294.439 1.313 10 0 CDAERP C[C@H](C1CC1)[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662252730 414587633 /nfs/dbraw/zinc/58/76/33/414587633.db2.gz SNCPTHNJAIROOZ-BXUZGUMPSA-N 2 0 250.386 1.770 10 0 CDAERP C[C@@H]1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C[C@H](C)S1 ZINC000662255441 414589988 /nfs/dbraw/zinc/58/99/88/414589988.db2.gz YOZPPLWZVTUYLU-GRYCIOLGSA-N 2 0 256.415 1.333 10 0 CDAERP CC[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C[C@@H]1CCCO1 ZINC000662254678 414590582 /nfs/dbraw/zinc/59/05/82/414590582.db2.gz SNADJRXJQJRGBM-QWHCGFSZSA-N 2 0 254.374 1.008 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCO[C@@H]3CC3(F)F)C[C@H]21 ZINC000662264418 414598794 /nfs/dbraw/zinc/59/87/94/414598794.db2.gz CYNBSLOHVHYYKK-DDHJBXDOSA-N 2 0 260.328 1.470 10 0 CDAERP COC[C@H](C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)OC ZINC000662275008 414606879 /nfs/dbraw/zinc/60/68/79/414606879.db2.gz PGXHYKDGTTWZQS-UONOGXRCSA-N 2 0 256.390 1.112 10 0 CDAERP [NH3+]CCN(CCc1ccccc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662274643 414607920 /nfs/dbraw/zinc/60/79/20/414607920.db2.gz YPZMSFNGNJNZDV-INIZCTEOSA-N 2 0 289.423 1.011 10 0 CDAERP c1cc(C2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)ccn1 ZINC000662277524 414610375 /nfs/dbraw/zinc/61/03/75/414610375.db2.gz RBZKZLHUEHNICT-MRXNPFEDSA-N 2 0 287.407 1.782 10 0 CDAERP C[C@@H]1CC2(C[N@@H+]1CCO[C@H]1CC1(F)F)CC[NH2+]CC2 ZINC000662283048 414613710 /nfs/dbraw/zinc/61/37/10/414613710.db2.gz KCEBQCGYZSBWFC-NEPJUHHUSA-N 2 0 274.355 1.875 10 0 CDAERP CC1(C)CCCC[C@H]1C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000662242070 414581208 /nfs/dbraw/zinc/58/12/08/414581208.db2.gz BFJGWCIQIMXAOR-GJZGRUSLSA-N 2 0 295.471 1.990 10 0 CDAERP C[C@@H]1CCC[N@H+](CCN2CCCC2=O)[C@@H]1CCC[NH3+] ZINC000662315857 414635823 /nfs/dbraw/zinc/63/58/23/414635823.db2.gz UGFLZOZHIXISHZ-ZIAGYGMSSA-N 2 0 267.417 1.448 10 0 CDAERP CC[NH+]1CCC(N[C@@H](C)[C@H]2CCC[N@H+](C)C2)CC1 ZINC000038098044 174112923 /nfs/dbraw/zinc/11/29/23/174112923.db2.gz WZFLQCMUXAMPIU-KBPBESRZSA-N 2 0 253.434 1.791 10 0 CDAERP C[NH+](C)CCC[C@H]1C[N@H+](CC[C@@H]2CCCO2)CCO1 ZINC000662322939 414640812 /nfs/dbraw/zinc/64/08/12/414640812.db2.gz JRKJSBUDUGLVRB-GJZGRUSLSA-N 2 0 270.417 1.598 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1N1CC[NH+](Cc2ccccc2)CC1 ZINC000040431788 174260121 /nfs/dbraw/zinc/26/01/21/174260121.db2.gz HWQDJUYUPMSPFL-HZPDHXFCSA-N 2 0 259.397 1.684 10 0 CDAERP CC(C)Oc1cccc([C@H](C[NH3+])N2CC[NH+](C)CC2)c1 ZINC000040640866 174364259 /nfs/dbraw/zinc/36/42/59/174364259.db2.gz XAHZTKUAMRAHJE-INIZCTEOSA-N 2 0 277.412 1.721 10 0 CDAERP Cc1cc(N2CCC[N@H+](CCCCC[NH3+])CC2)ncn1 ZINC000040726888 174387589 /nfs/dbraw/zinc/38/75/89/174387589.db2.gz LWSOSTQWKBCMSG-UHFFFAOYSA-N 2 0 277.416 1.426 10 0 CDAERP CC[NH+]1CCC(N(C)[C@H](C[NH3+])Cc2ccccc2)CC1 ZINC000042615703 174829517 /nfs/dbraw/zinc/82/95/17/174829517.db2.gz CQEIIVAGZSLDPE-KRWDZBQOSA-N 2 0 275.440 1.973 10 0 CDAERP CCN([C@H](C)COC)C1(C[NH3+])CC[NH+](CC)CC1 ZINC000042743563 174863333 /nfs/dbraw/zinc/86/33/33/174863333.db2.gz MDMZYNZASSSIHV-CYBMUJFWSA-N 2 0 257.422 1.156 10 0 CDAERP C[C@@H]([NH3+])[C@@H](c1ccco1)N1CC[NH+](CC2CC2)CC1 ZINC000043335796 175011578 /nfs/dbraw/zinc/01/15/78/175011578.db2.gz CZFUFGWRDRXNQK-DOMZBBRYSA-N 2 0 263.385 1.696 10 0 CDAERP CC[C@H]([NH3+])[C@@H](c1ccncc1)N1CCC([NH+](C)C)CC1 ZINC000043353691 175021081 /nfs/dbraw/zinc/02/10/81/175021081.db2.gz YRZNFKJFXMBVBR-JKSUJKDBSA-N 2 0 276.428 1.886 10 0 CDAERP [NH3+]C[C@@H](c1ccncc1)N1CC[NH+](CC2CC2)CC1 ZINC000043354230 175021193 /nfs/dbraw/zinc/02/11/93/175021193.db2.gz YLZHJWOKTYPZHV-HNNXBMFYSA-N 2 0 260.385 1.109 10 0 CDAERP CC[C@H]([NH3+])[C@H](N1CCC([NH+](C)C)CC1)C(F)(F)F ZINC000043377613 175030268 /nfs/dbraw/zinc/03/02/68/175030268.db2.gz ZMAAYYFDUPHGNE-QWRGUYRKSA-N 2 0 267.339 1.681 10 0 CDAERP CC[NH+]1CCN(C[C@H]([NH2+]C)c2ccccc2C)CC1 ZINC000043805816 175107788 /nfs/dbraw/zinc/10/77/88/175107788.db2.gz UMFGIECZYMJHNN-INIZCTEOSA-N 2 0 261.413 1.893 10 0 CDAERP CCC[NH+]1CCN([C@@H]2Cc3ccccc3[C@H]2[NH2+]C)CC1 ZINC000043805324 175107869 /nfs/dbraw/zinc/10/78/69/175107869.db2.gz OYZXHROYQYAZEK-IAGOWNOFSA-N 2 0 273.424 1.899 10 0 CDAERP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N1CC[NH+](CC)CC1 ZINC000043805975 175108474 /nfs/dbraw/zinc/10/84/74/175108474.db2.gz QFZHZFYCSGKXSL-KKUMJFAQSA-N 2 0 253.434 1.791 10 0 CDAERP C[NH2+][C@H]1c2ccccc2OC[C@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815253 175111844 /nfs/dbraw/zinc/11/18/44/175111844.db2.gz OPEVAOMTYKGYKC-WBVHZDCISA-N 2 0 289.423 1.734 10 0 CDAERP CC[NH+]1CCC(CNC(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000044515148 175189923 /nfs/dbraw/zinc/18/99/23/175189923.db2.gz LRWOMEGJLUZUSI-UHFFFAOYSA-N 2 0 275.396 1.607 10 0 CDAERP CCC[NH2+]CC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000044650622 175224400 /nfs/dbraw/zinc/22/44/00/175224400.db2.gz SXSITCGAZXABOL-ZDUSSCGKSA-N 2 0 253.390 1.073 10 0 CDAERP CC[C@@H](C[NH3+])C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000044798747 175255186 /nfs/dbraw/zinc/25/51/86/175255186.db2.gz QDPOCSIUENMPMH-STQMWFEESA-N 2 0 255.406 1.352 10 0 CDAERP C[NH2+][C@H](C)c1cccc(S(=O)(=O)NC[C@H](C)[NH+](C)C)c1 ZINC000045110254 175310147 /nfs/dbraw/zinc/31/01/47/175310147.db2.gz ZHQCBUWQCZQYLN-NWDGAFQWSA-N 2 0 299.440 1.195 10 0 CDAERP CC[NH2+][C@@](C)(CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(N)=O ZINC000045376899 175367126 /nfs/dbraw/zinc/36/71/26/175367126.db2.gz XGNFHMPAEFZHKD-GUTXKFCHSA-N 2 0 285.432 1.119 10 0 CDAERP CCC[N@H+](CCCC[C@@](C)([NH2+]C)C(N)=O)C1CC1 ZINC000045387435 175372605 /nfs/dbraw/zinc/37/26/05/175372605.db2.gz ILBMBXCHMQOMNK-CQSZACIVSA-N 2 0 255.406 1.495 10 0 CDAERP CC[NH2+][C@@](C)(CCCC[N@H+](CC)[C@@H](C)COC)C(N)=O ZINC000045421117 175379756 /nfs/dbraw/zinc/37/97/56/175379756.db2.gz GVINMSKIGLOFDA-ZFWWWQNUSA-N 2 0 287.448 1.367 10 0 CDAERP CCC[NH2+][C@](CO)(CN(C)C1CC[NH+](CC)CC1)C1CC1 ZINC000070514507 175962811 /nfs/dbraw/zinc/96/28/11/175962811.db2.gz KKHSHRGXEIZTFS-KRWDZBQOSA-N 2 0 297.487 1.543 10 0 CDAERP C[C@@H](C[C@@](C)(O)C[NH3+])N1CCC([NH+]2CCCCC2)CC1 ZINC000070521395 175966514 /nfs/dbraw/zinc/96/65/14/175966514.db2.gz BVSLIJVAXBKXNY-GOEBONIOSA-N 2 0 283.460 1.425 10 0 CDAERP [NH3+][C@H]1CCC[C@@H](C(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000070576518 175992080 /nfs/dbraw/zinc/99/20/80/175992080.db2.gz HCTLPYMHUQOQSK-KGLIPLIRSA-N 2 0 265.401 1.058 10 0 CDAERP C[C@@H](CN1CC[C@@H]([NH2+]C2CC2)C1=O)C[NH+]1CCCC1 ZINC000071031228 176022584 /nfs/dbraw/zinc/02/25/84/176022584.db2.gz JHTXBUZVNHSMIQ-TZMCWYRMSA-N 2 0 265.401 1.071 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)N1CCC[C@H]([NH2+]C2CC2)C1=O ZINC000071032017 176022822 /nfs/dbraw/zinc/02/28/22/176022822.db2.gz HTPYWTODASIVIN-CABCVRRESA-N 2 0 281.444 1.706 10 0 CDAERP CCC[NH2+][C@@H]1CCN([C@@H](CC(C)C)C[NH+](C)C)C1=O ZINC000071032003 176023187 /nfs/dbraw/zinc/02/31/87/176023187.db2.gz KIZQJLCKWPBSGD-UONOGXRCSA-N 2 0 269.433 1.563 10 0 CDAERP CCC[NH2+][C@@H]1CCCN([C@@H](C)C[NH+](CC)CC)C1=O ZINC000071034721 176024728 /nfs/dbraw/zinc/02/47/28/176024728.db2.gz IGRALQHDDVZBDI-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP CCC[NH2+][C@H]1CCCN(C[C@@H]2CC[N@@H+](C(C)C)C2)C1=O ZINC000071035244 176024733 /nfs/dbraw/zinc/02/47/33/176024733.db2.gz IZCUDHWENLNFDH-CABCVRRESA-N 2 0 281.444 1.707 10 0 CDAERP C[NH2+][C@H]1CCN(CCC[N@H+](C)Cc2ccccc2)C1=O ZINC000071037930 176026660 /nfs/dbraw/zinc/02/66/60/176026660.db2.gz GEZBLGFDJTUNAV-HNNXBMFYSA-N 2 0 275.396 1.329 10 0 CDAERP C[NH2+][C@@H]1CCN(C[C@@H](c2cccc(OC)c2)[NH+](C)C)C1=O ZINC000071038306 176027291 /nfs/dbraw/zinc/02/72/91/176027291.db2.gz FBAGTMMUZMRXAU-CABCVRRESA-N 2 0 291.395 1.118 10 0 CDAERP CC[NH2+][C@H]1CCCN(CC[N@H+](C)C2CCCC2)C1=O ZINC000071043715 176029887 /nfs/dbraw/zinc/02/98/87/176029887.db2.gz JSANCLRWZVLYHF-AWEZNQCLSA-N 2 0 267.417 1.461 10 0 CDAERP CC[C@@H]([NH3+])[C@H](c1ccncc1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071187905 176062006 /nfs/dbraw/zinc/06/20/06/176062006.db2.gz ZSSMSDIRKXANSQ-BMFZPTHFSA-N 2 0 276.428 1.744 10 0 CDAERP COc1ccc([C@H](C[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)cc1C ZINC000071188353 176062627 /nfs/dbraw/zinc/06/26/27/176062627.db2.gz HEWIADCQDIXLKQ-ZBFHGGJFSA-N 2 0 291.439 1.887 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)C1(C[NH3+])Cc2ccccc2C1 ZINC000071188343 176062980 /nfs/dbraw/zinc/06/29/80/176062980.db2.gz WFRMEMNFGGYERN-CQSZACIVSA-N 2 0 273.424 1.366 10 0 CDAERP CN[C@@](C)(CCCC[N@H+](C)C[C@@H]1CC[NH+](C)C1)C(=O)OC ZINC000071190855 176068071 /nfs/dbraw/zinc/06/80/71/176068071.db2.gz AQSRDMVFZXXSLH-HOCLYGCPSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[NH2+]Cc1cc(CN(C)C[C@@H]2CC[N@H+](C)C2)on1 ZINC000071191906 176071113 /nfs/dbraw/zinc/07/11/13/176071113.db2.gz LVUYMBPLDLSQLH-CYBMUJFWSA-N 2 0 280.416 1.558 10 0 CDAERP CC(C)[NH2+][C@H]1CCN(C[C@@H](C)C[NH+]2CCCC2)C1 ZINC000071200144 176077237 /nfs/dbraw/zinc/07/72/37/176077237.db2.gz BEOQJYOXAWBBQO-GJZGRUSLSA-N 2 0 253.434 1.791 10 0 CDAERP C[C@@H]1C[N@H+](Cc2ccc(F)cc2C(N)=[NH2+])CCCO1 ZINC000071268025 176101660 /nfs/dbraw/zinc/10/16/60/176101660.db2.gz GJJMVWHCVUFIPG-SNVBAGLBSA-N 2 0 265.332 1.721 10 0 CDAERP CC(C)(O)C[NH+]1CCN([C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000071381593 176145649 /nfs/dbraw/zinc/14/56/49/176145649.db2.gz QPWZXVXEZKKJPE-KBPBESRZSA-N 2 0 269.433 1.035 10 0 CDAERP CCCCc1ccc([C@H]([NH3+])CN2CC[NH2+]CC2)cc1 ZINC000071588191 176216011 /nfs/dbraw/zinc/21/60/11/176216011.db2.gz KXUWQNNJNQYVLB-MRXNPFEDSA-N 2 0 261.413 1.934 10 0 CDAERP CCCCc1ccc([C@@H]([NH3+])CN2CC[NH2+]CC2)cc1 ZINC000071588192 176216295 /nfs/dbraw/zinc/21/62/95/176216295.db2.gz KXUWQNNJNQYVLB-INIZCTEOSA-N 2 0 261.413 1.934 10 0 CDAERP C[C@@H]1C[N@@H+](C2CCN(CC[NH+]3CCCCC3)CC2)CCO1 ZINC000077172911 177229892 /nfs/dbraw/zinc/22/98/92/177229892.db2.gz SIRRWXBSJBXZPV-MRXNPFEDSA-N 2 0 295.471 1.657 10 0 CDAERP CC(C)C[C@H](CNC(=O)C[NH2+]C(C)(C)C)[NH+](C)C ZINC000078742950 177380409 /nfs/dbraw/zinc/38/04/09/177380409.db2.gz AJVRYYPWBFXILP-GFCCVEGCSA-N 2 0 257.422 1.467 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(C(=O)CC[C@H](C)CC[NH3+])C1 ZINC000079192771 177442135 /nfs/dbraw/zinc/44/21/35/177442135.db2.gz GDESAJIXSUEURP-KBPBESRZSA-N 2 0 269.433 1.694 10 0 CDAERP COC(=O)c1ccc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1 ZINC000312686422 260190997 /nfs/dbraw/zinc/19/09/97/260190997.db2.gz PYESAMFHPWUBMV-MLGOLLRUSA-N 2 0 276.380 1.890 10 0 CDAERP CC[N@H+](CCc1nccs1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662278347 423864294 /nfs/dbraw/zinc/86/42/94/423864294.db2.gz GBSZNIGVOCBXIN-GFCCVEGCSA-N 2 0 281.425 1.529 10 0 CDAERP CCC[C@@H](C)C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000651891180 423859763 /nfs/dbraw/zinc/85/97/63/423859763.db2.gz KUKJOYMNMKEPQZ-CYBMUJFWSA-N 2 0 255.406 1.128 10 0 CDAERP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662310975 423946016 /nfs/dbraw/zinc/94/60/16/423946016.db2.gz XDKKVBAOAJSCQK-ZACQAIPSSA-N 2 0 296.455 1.580 10 0 CDAERP COC1(CC[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)CCC1 ZINC000662326732 423961096 /nfs/dbraw/zinc/96/10/96/423961096.db2.gz ZPOWPSNGGWEMOF-OAHLLOKOSA-N 2 0 284.444 1.988 10 0 CDAERP CO[C@@H](C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1)C1CCC1 ZINC000662326347 423963031 /nfs/dbraw/zinc/96/30/31/423963031.db2.gz RYBJDWGGFYGPDH-HOTGVXAUSA-N 2 0 284.444 1.844 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000652215881 424069279 /nfs/dbraw/zinc/06/92/79/424069279.db2.gz BUILEUOHXZOOTL-SWLSCSKDSA-N 2 0 290.411 1.203 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655246928 424092870 /nfs/dbraw/zinc/09/28/70/424092870.db2.gz PZHZUKBWVMMKEO-KPWCQOOUSA-N 2 0 267.417 1.316 10 0 CDAERP [NH3+]CC1(CCNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000652241863 424122038 /nfs/dbraw/zinc/12/20/38/424122038.db2.gz CUALECAXKUWFQC-AWEZNQCLSA-N 2 0 294.443 1.385 10 0 CDAERP C[C@H]([NH3+])c1ccc(C(=O)N[C@H](C[NH3+])C(F)(F)F)cc1 ZINC000655517863 424201474 /nfs/dbraw/zinc/20/14/74/424201474.db2.gz HKMDKHHCTZOPHB-OIBJUYFYSA-N 2 0 275.274 1.326 10 0 CDAERP CN(CC[NH+]1CCCCC1)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000653273633 424208563 /nfs/dbraw/zinc/20/85/63/424208563.db2.gz JNXGGDLSOOJXHY-PMPSAXMXSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@]12COC[C@@H]1C[NH+](CCC[N@H+]1C[C@H]3COC[C@]3(C)C1)C2 ZINC000661697368 424164361 /nfs/dbraw/zinc/16/43/61/424164361.db2.gz BHMPEROXDUZWMN-QAETUUGQSA-N 2 0 294.439 1.313 10 0 CDAERP CNC(=O)[C@@H]1CCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000652338262 424257881 /nfs/dbraw/zinc/25/78/81/424257881.db2.gz OTBAWGFKCFGZQE-OAHLLOKOSA-N 2 0 287.407 1.290 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653116613 424300699 /nfs/dbraw/zinc/30/06/99/424300699.db2.gz MTWDKLCRGNORQL-OCVGTWLNSA-N 2 0 293.455 1.896 10 0 CDAERP CN(C(=O)[C@H]1CCC[NH2+]CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000653117322 424300745 /nfs/dbraw/zinc/30/07/45/424300745.db2.gz IPAJBISSIDVALY-JSGCOSHPSA-N 2 0 265.401 1.071 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000653117745 424302621 /nfs/dbraw/zinc/30/26/21/424302621.db2.gz VAEKBARWQHCIHA-OAHLLOKOSA-N 2 0 287.407 1.402 10 0 CDAERP COCCCC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652363091 424313020 /nfs/dbraw/zinc/31/30/20/424313020.db2.gz XPCUENRSRAJRGK-RBSFLKMASA-N 2 0 270.417 1.774 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662715645 424367633 /nfs/dbraw/zinc/36/76/33/424367633.db2.gz OJWASEUGRIIRJB-NSHDSACASA-N 2 0 294.399 1.473 10 0 CDAERP C[C@H]1CCN(C(=O)C2([NH2+]C3CC3)CCC2)C[C@@H]1C[NH3+] ZINC000662813176 424503298 /nfs/dbraw/zinc/50/32/98/424503298.db2.gz IBVNPUXNBAGJBZ-RYUDHWBXSA-N 2 0 265.401 1.104 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000655489127 424503603 /nfs/dbraw/zinc/50/36/03/424503603.db2.gz MJIWZSBIMXQMRJ-FRRDWIJNSA-N 2 0 267.417 1.221 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655489549 424507254 /nfs/dbraw/zinc/50/72/54/424507254.db2.gz TZGCBDGIAWCXPQ-UXXRCYHCSA-N 2 0 297.443 1.118 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000662851566 424526766 /nfs/dbraw/zinc/52/67/66/424526766.db2.gz BRFOJRUXGDGSMG-RWMBFGLXSA-N 2 0 267.417 1.350 10 0 CDAERP [NH3+][C@@H](C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1cccc(Cl)c1 ZINC000662943776 424565611 /nfs/dbraw/zinc/56/56/11/424565611.db2.gz CMOWSAJJBIDRTF-IJLUTSLNSA-N 2 0 285.750 1.238 10 0 CDAERP C[C@@H]1C[NH+](CCC[NH+]2C[C@H](C)C(O)[C@@H](C)C2)C[C@@H](C)C1O ZINC000661628446 424640556 /nfs/dbraw/zinc/64/05/56/424640556.db2.gz UHGLUKPPVSCJFZ-VLRMEEEOSA-N 2 0 298.471 1.274 10 0 CDAERP CCCC[NH2+][C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)C ZINC001667494277 1173276046 /nfs/dbraw/zinc/27/60/46/1173276046.db2.gz UXQNMGWKAVKHLM-CABCVRRESA-N 2 0 283.460 1.859 10 0 CDAERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@@H](C)COC)C1 ZINC000527115906 270667301 /nfs/dbraw/zinc/66/73/01/270667301.db2.gz CERUEFAIKUCFPW-HUUCEWRRSA-N 2 0 272.433 1.702 10 0 CDAERP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])C(=O)N1CCCC1 ZINC000530222317 271163314 /nfs/dbraw/zinc/16/33/14/271163314.db2.gz IRWWLIMAVBVKQU-CHWSQXEVSA-N 2 0 267.417 1.352 10 0 CDAERP COCCCC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530239711 271177149 /nfs/dbraw/zinc/17/71/49/271177149.db2.gz HEALPJRFEFGIOX-HNNXBMFYSA-N 2 0 270.417 1.504 10 0 CDAERP CC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001667634533 1173303865 /nfs/dbraw/zinc/30/38/65/1173303865.db2.gz PKQLJIKGJKHTLS-KBPBESRZSA-N 2 0 267.417 1.413 10 0 CDAERP C[C@H](CC[NH2+]CC1CC(C)(C)C1)NC(=O)Cc1c[nH]cn1 ZINC001668224131 1173383735 /nfs/dbraw/zinc/38/37/35/1173383735.db2.gz LYQVGLSCTXGSPH-GFCCVEGCSA-N 2 0 292.427 1.873 10 0 CDAERP C(C[NH2+][C@@H]1CCCC[C@H]1C1CC1)CN1CC[NH2+]CC1 ZINC000414778393 276811081 /nfs/dbraw/zinc/81/10/81/276811081.db2.gz IAMBYGXFVKTUJY-JKSUJKDBSA-N 2 0 265.445 1.840 10 0 CDAERP CC(=O)[C@](C)(O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000347736054 277100542 /nfs/dbraw/zinc/10/05/42/277100542.db2.gz NRNVVSSPWHRFHI-OAHLLOKOSA-N 2 0 268.401 1.134 10 0 CDAERP CC(C)n1cncc1C[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000424144820 278140427 /nfs/dbraw/zinc/14/04/27/278140427.db2.gz MDHYWOUZRHCILC-AWEZNQCLSA-N 2 0 279.432 1.190 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000232947890 278223092 /nfs/dbraw/zinc/22/30/92/278223092.db2.gz WYXSVHIHKDDZLV-AAEUAGOBSA-N 2 0 265.401 1.118 10 0 CDAERP C[C@@H](NCC[N@H+](C)C1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000422701800 278346700 /nfs/dbraw/zinc/34/67/00/278346700.db2.gz JJWUBDOLGZDXLV-HIFRSBDPSA-N 2 0 253.434 1.981 10 0 CDAERP CC1CCC([NH+]2CCN(C(=O)[C@H]3CC[C@@H]([NH3+])C3)CC2)CC1 ZINC000236788890 278522477 /nfs/dbraw/zinc/52/24/77/278522477.db2.gz WJFFOCRZDPJTFN-PWUWZPNHSA-N 2 0 293.455 1.837 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000352411461 279159952 /nfs/dbraw/zinc/15/99/52/279159952.db2.gz WPWHBKZWQXLVRP-OCCSQVGLSA-N 2 0 267.417 1.460 10 0 CDAERP CC[NH+]1CCC(CC[NH2+][C@@H]2CNCC[C@H]2C)CC1 ZINC000422786453 279257113 /nfs/dbraw/zinc/25/71/13/279257113.db2.gz OVIFQFVRJOOLJK-UKRRQHHQSA-N 2 0 253.434 1.696 10 0 CDAERP CC(C)[C@@H](CNC(=O)CC[C@H](C)[NH3+])[NH+]1CCC(C)CC1 ZINC000193298467 279839667 /nfs/dbraw/zinc/83/96/67/279839667.db2.gz NFKWUKBXTNWKII-LSDHHAIUSA-N 2 0 283.460 1.987 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000417707746 280253370 /nfs/dbraw/zinc/25/33/70/280253370.db2.gz VKWZOHMFUKULAP-KFWWJZLASA-N 2 0 296.459 1.548 10 0 CDAERP C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000246935972 280311208 /nfs/dbraw/zinc/31/12/08/280311208.db2.gz HHXVRMPUOOIWQS-MGPQQGTHSA-N 2 0 282.432 1.205 10 0 CDAERP CC[C@H]([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C(=O)NC ZINC000423168937 280957681 /nfs/dbraw/zinc/95/76/81/280957681.db2.gz VMBPFAWZIVAABH-ZDEQEGDKSA-N 2 0 253.390 1.021 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC000519788484 281036439 /nfs/dbraw/zinc/03/64/39/281036439.db2.gz FCCFGFACOCDLIF-CYBMUJFWSA-N 2 0 255.406 1.176 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CC1CC[NH2+]CC1 ZINC000251537162 288295651 /nfs/dbraw/zinc/29/56/51/288295651.db2.gz AOPDBDQEKGQXRJ-HIFRSBDPSA-N 2 0 279.428 1.461 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000261627147 288310983 /nfs/dbraw/zinc/31/09/83/288310983.db2.gz HHSJTBAFXXVIDR-VNQPRFMTSA-N 2 0 293.455 1.979 10 0 CDAERP CC[C@](C)(O)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374073881 281291154 /nfs/dbraw/zinc/29/11/54/281291154.db2.gz FPZBXZCGICCELT-AWEZNQCLSA-N 2 0 254.418 1.955 10 0 CDAERP Cc1ncc(CNc2c[nH+]ccc2N2CC[NH+](C)CC2)cn1 ZINC000532828446 282053001 /nfs/dbraw/zinc/05/30/01/282053001.db2.gz INXXXRFKZAKCFD-UHFFFAOYSA-N 2 0 298.394 1.544 10 0 CDAERP C[C@@]1(CN2CCC[C@H]([NH+]3CCCC3)C2)CC[NH2+]C1 ZINC000261969987 289164671 /nfs/dbraw/zinc/16/46/71/289164671.db2.gz IDJBSCLSQVDBPQ-LSDHHAIUSA-N 2 0 251.418 1.546 10 0 CDAERP CC(C)[NH+](CCC[NH2+]C1CCN(C(N)=O)CC1)C(C)C ZINC000155816298 289251588 /nfs/dbraw/zinc/25/15/88/289251588.db2.gz GKNNPAQBFLEQTN-UHFFFAOYSA-N 2 0 284.448 1.628 10 0 CDAERP CN(CCC(=O)N1CCC[C@H]([NH+](C)C)C1)c1cc[nH+]cc1 ZINC000542785460 289561575 /nfs/dbraw/zinc/56/15/75/289561575.db2.gz SWNJQSHJXSAPHV-HNNXBMFYSA-N 2 0 290.411 1.461 10 0 CDAERP C[C@H](O)C[N@@H+]1CCN(CCC[NH+]2CCCCC2)C[C@H]1C ZINC000249460161 290112798 /nfs/dbraw/zinc/11/27/98/290112798.db2.gz QNHAATQFHGABLE-CVEARBPZSA-N 2 0 283.460 1.249 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000557489299 290348230 /nfs/dbraw/zinc/34/82/30/290348230.db2.gz QHUWZEVNLBAIGE-AWEZNQCLSA-N 2 0 279.428 1.415 10 0 CDAERP CCC[C@H](C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1)[NH+](C)C ZINC000161804348 292813261 /nfs/dbraw/zinc/81/32/61/292813261.db2.gz FJUCNOYSDAGSNO-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP [NH3+]C[C@H](C(=O)N1CCC[C@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000562804968 293199411 /nfs/dbraw/zinc/19/94/11/293199411.db2.gz MZLWAFKTVCCSNP-RISCZKNCSA-N 2 0 279.359 1.065 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000562807566 293200634 /nfs/dbraw/zinc/20/06/34/293200634.db2.gz UHUUXFCVVOLSDH-SHARSMKWSA-N 2 0 296.459 1.548 10 0 CDAERP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccc(Cl)c(F)c1 ZINC000562956385 293225623 /nfs/dbraw/zinc/22/56/23/293225623.db2.gz YHVPQCBCIVHZLD-JTQLQIEISA-N 2 0 299.777 1.562 10 0 CDAERP C[N@@H+]1CCC[C@H](CNC(=O)[C@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000563198365 293307381 /nfs/dbraw/zinc/30/73/81/293307381.db2.gz UKBDEICMBKKLQC-IUODEOHRSA-N 2 0 293.386 1.326 10 0 CDAERP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCCC23CC3)CC1(C)C ZINC000568276510 294007788 /nfs/dbraw/zinc/00/77/88/294007788.db2.gz MFPRCMNUZDJLJV-CQSZACIVSA-N 2 0 265.445 1.935 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000568392202 294027471 /nfs/dbraw/zinc/02/74/71/294027471.db2.gz LEONUFUZSKPTCT-IUODEOHRSA-N 2 0 275.396 1.476 10 0 CDAERP COC(C)(C)CC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000570335998 294218928 /nfs/dbraw/zinc/21/89/28/294218928.db2.gz RBQSAOROAFVCBG-UHFFFAOYSA-N 2 0 284.444 1.628 10 0 CDAERP C[NH+]1CCN(c2cc[nH+]cc2NCc2cocn2)CC1 ZINC000575239273 295095154 /nfs/dbraw/zinc/09/51/54/295095154.db2.gz SZNZBBPHRGNFJJ-UHFFFAOYSA-N 2 0 273.340 1.434 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000091545085 295321868 /nfs/dbraw/zinc/32/18/68/295321868.db2.gz WFSNNWRBZQRKIQ-QWHCGFSZSA-N 2 0 265.401 1.201 10 0 CDAERP CC[C@@H](F)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001668982471 1173488033 /nfs/dbraw/zinc/48/80/33/1173488033.db2.gz GVYOIZVMNCHUDB-IHDARNGBSA-N 2 0 285.407 1.481 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000251778782 297097773 /nfs/dbraw/zinc/09/77/73/297097773.db2.gz MUYYTVXNJZSGBZ-MCIONIFRSA-N 2 0 265.401 1.071 10 0 CDAERP C[C@@]1(CN2CC[NH+](C3CCCC3)CC2)CC[NH2+]C1 ZINC000062912372 297893358 /nfs/dbraw/zinc/89/33/58/297893358.db2.gz IHUFSGZLKWBQBB-OAHLLOKOSA-N 2 0 251.418 1.546 10 0 CDAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC1(C[NH3+])CCCCC1 ZINC000185359625 300312516 /nfs/dbraw/zinc/31/25/16/300312516.db2.gz GMYUWSBRPCEHDI-LSDHHAIUSA-N 2 0 293.455 1.981 10 0 CDAERP CC[NH2+]CCCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001670130871 1173655933 /nfs/dbraw/zinc/65/59/33/1173655933.db2.gz PPEWDVCPIKQYHK-CYBMUJFWSA-N 2 0 255.406 1.319 10 0 CDAERP CC(C)CCC[NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001670345042 1173673675 /nfs/dbraw/zinc/67/36/75/1173673675.db2.gz NMQKNKWSWBUZFJ-HNNXBMFYSA-N 2 0 283.460 1.812 10 0 CDAERP CCCC[C@H](C[NH3+])NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000563625207 316346152 /nfs/dbraw/zinc/34/61/52/316346152.db2.gz UKALYGSCVGLXPT-ZIAGYGMSSA-N 2 0 269.433 1.885 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000576955506 317238803 /nfs/dbraw/zinc/23/88/03/317238803.db2.gz GWWFMGCDFSWMPH-CYBMUJFWSA-N 2 0 279.428 1.319 10 0 CDAERP C[C@H](CCNC(=O)N1CC[C@@H]([NH+](C)C)C1)[NH+]1CCCCC1 ZINC000182662107 323292274 /nfs/dbraw/zinc/29/22/74/323292274.db2.gz VUDJJPFWWNKHNV-HUUCEWRRSA-N 2 0 296.459 1.596 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000182830342 323303800 /nfs/dbraw/zinc/30/38/00/323303800.db2.gz SPSVNDXCVHKWRL-CQSZACIVSA-N 2 0 288.457 1.275 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000578488830 323944474 /nfs/dbraw/zinc/94/44/74/323944474.db2.gz VSGMDWHAJKUBOM-AWEZNQCLSA-N 2 0 282.432 1.160 10 0 CDAERP CC(C)[C@H]([NH3+])CNC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000583320768 325151154 /nfs/dbraw/zinc/15/11/54/325151154.db2.gz MZSOJJPQWXUKCB-HUUCEWRRSA-N 2 0 290.411 1.237 10 0 CDAERP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000583439285 325174991 /nfs/dbraw/zinc/17/49/91/325174991.db2.gz ILSMUGUSUKCXRJ-GUTXKFCHSA-N 2 0 281.444 1.563 10 0 CDAERP CN1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@H](c2ccccc2)C1 ZINC000693559784 1159101557 /nfs/dbraw/zinc/10/15/57/1159101557.db2.gz QBMXRWVXRXODPL-IMJJTQAJSA-N 2 0 259.397 1.712 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000584171434 327056951 /nfs/dbraw/zinc/05/69/51/327056951.db2.gz YNMRATVMDFHVEC-QLFBSQMISA-N 2 0 281.444 1.742 10 0 CDAERP C[NH+](C)CC1CCN(C(=O)COC2CCC([NH3+])CC2)CC1 ZINC000584349323 328685168 /nfs/dbraw/zinc/68/51/68/328685168.db2.gz OJAYTSVUUKINSB-UHFFFAOYSA-N 2 0 297.443 1.073 10 0 CDAERP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)CC[NH2+]C1CC1 ZINC000584479934 329499482 /nfs/dbraw/zinc/49/94/82/329499482.db2.gz MINPVILTNQXBAN-HNNXBMFYSA-N 2 0 273.380 1.213 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)CC2([NH3+])CC2)CC1 ZINC000398078187 482242893 /nfs/dbraw/zinc/24/28/93/482242893.db2.gz MNMCBUPEQFTNTL-UHFFFAOYSA-N 2 0 267.417 1.448 10 0 CDAERP CC(C)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001482476851 1160296529 /nfs/dbraw/zinc/29/65/29/1160296529.db2.gz YEWYCUOKMWZKPF-CABCVRRESA-N 2 0 283.460 1.811 10 0 CDAERP C[N@H+](C[C@H](O)C[NH3+])C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000662276265 482235347 /nfs/dbraw/zinc/23/53/47/482235347.db2.gz IIICNHBCWHCGOM-FVQBIDKESA-N 2 0 262.397 1.822 10 0 CDAERP c1cc(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)n(-c2cc[nH+]cc2)n1 ZINC000668705798 482505146 /nfs/dbraw/zinc/50/51/46/482505146.db2.gz NGPRGWNDSQRAIQ-ZIAGYGMSSA-N 2 0 284.363 1.736 10 0 CDAERP [NH3+][C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1cccc(Cl)c1 ZINC000669514787 482535272 /nfs/dbraw/zinc/53/52/72/482535272.db2.gz IHRXNLOLRMHOBR-HZSPNIEDSA-N 2 0 293.798 1.693 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000417010333 482561944 /nfs/dbraw/zinc/56/19/44/482561944.db2.gz PCWPDIPFFUZONA-AGIUHOORSA-N 2 0 270.421 1.286 10 0 CDAERP CCCN(CC[NH+](CC)CC)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000680878230 482603145 /nfs/dbraw/zinc/60/31/45/482603145.db2.gz ZGVXPEAHRYCBRN-HNNXBMFYSA-N 2 0 298.475 1.844 10 0 CDAERP C[C@H](NC(=O)NC/C=C/C[NH3+])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000669556025 482675372 /nfs/dbraw/zinc/67/53/72/482675372.db2.gz VHMPJORCGFALQR-AZBIDPCXSA-N 2 0 294.443 1.454 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)C(F)(F)F)[C@@H]2CCC[C@@H]21 ZINC000671762340 482783917 /nfs/dbraw/zinc/78/39/17/482783917.db2.gz OAEQJFBWTREDNH-XWLWVQCSSA-N 2 0 266.307 1.372 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1CCC[N@H+](C)C1)[NH+](CC)CC ZINC000673662848 482805213 /nfs/dbraw/zinc/80/52/13/482805213.db2.gz STYDOSRBEREXQF-STQMWFEESA-N 2 0 255.406 1.317 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](C[NH3+])C2CCCCC2)C1 ZINC000669403005 482886940 /nfs/dbraw/zinc/88/69/40/482886940.db2.gz DSAZZWHTBKBERE-KGLIPLIRSA-N 2 0 282.432 1.287 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCc2nc[nH]c2C1)C[NH+]1CCCC1 ZINC000666757172 482898531 /nfs/dbraw/zinc/89/85/31/482898531.db2.gz ZDGHPAVLRRHJHV-OLZOCXBDSA-N 2 0 290.411 1.363 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000136298094 482907930 /nfs/dbraw/zinc/90/79/30/482907930.db2.gz MVBWEBZGDSTRMS-KGLIPLIRSA-N 2 0 269.433 1.741 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000136423257 482918243 /nfs/dbraw/zinc/91/82/43/482918243.db2.gz MRQFWJXZACFYJS-QWHCGFSZSA-N 2 0 255.406 1.206 10 0 CDAERP [NH3+]C[C@@H](C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000336466470 482918533 /nfs/dbraw/zinc/91/85/33/482918533.db2.gz GYVPEGVGAQUZEX-WBVHZDCISA-N 2 0 287.407 1.331 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000136460205 482919375 /nfs/dbraw/zinc/91/93/75/482919375.db2.gz MCLCWBMNBAUQKJ-CHWSQXEVSA-N 2 0 253.390 1.057 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000261970888 482953622 /nfs/dbraw/zinc/95/36/22/482953622.db2.gz MSNXVYYEDQUYTK-BYCMXARLSA-N 2 0 275.396 1.840 10 0 CDAERP CC1(C)CC([NH2+]C[C@H]2C[NH2+]C[C@@H]2O)CC(C)(C)C1 ZINC000262093775 482970265 /nfs/dbraw/zinc/97/02/65/482970265.db2.gz HLMAAPJBEJEPDM-YPMHNXCESA-N 2 0 254.418 1.761 10 0 CDAERP [NH3+]C1(CNC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CCCCCC1 ZINC000353179135 482974933 /nfs/dbraw/zinc/97/49/33/482974933.db2.gz BLJCTWKEHQQTSW-LSDHHAIUSA-N 2 0 293.455 1.790 10 0 CDAERP CN(CCC[NH+]1CCCC1)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000684890853 483011065 /nfs/dbraw/zinc/01/10/65/483011065.db2.gz YYLJYGAFEKHQJR-AWEZNQCLSA-N 2 0 282.432 1.208 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1CCC[C@H]1C[NH3+])C1CCCC1 ZINC000250022931 483012164 /nfs/dbraw/zinc/01/21/64/483012164.db2.gz YRYYYCZKKDOWKC-GXTWGEPZSA-N 2 0 267.417 1.352 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250641293 483021607 /nfs/dbraw/zinc/02/16/07/483021607.db2.gz HJCOAAYWNIEKOO-CRWXNKLISA-N 2 0 265.401 1.104 10 0 CDAERP C[N@@H+]1CCN(CC[NH2+][C@H]2CO[C@@H](C3CC3)C2)CC1(C)C ZINC000668103358 483071502 /nfs/dbraw/zinc/07/15/02/483071502.db2.gz JBOKKUOJAMVYDP-HUUCEWRRSA-N 2 0 281.444 1.170 10 0 CDAERP c1n[nH]cc1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000678500928 483098805 /nfs/dbraw/zinc/09/88/05/483098805.db2.gz YSJMWMJRBQOEMF-UHFFFAOYSA-N 2 0 271.368 1.811 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)C(C)(C)c1c[nH]cn1 ZINC000683918949 483141493 /nfs/dbraw/zinc/14/14/93/483141493.db2.gz CBSKSQFTCRWARQ-LLVKDONJSA-N 2 0 266.389 1.534 10 0 CDAERP CCN1CC[NH+](CCCC[NH2+][C@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667783894 483425320 /nfs/dbraw/zinc/42/53/20/483425320.db2.gz AKDSVCMWXVSXHL-SJORKVTESA-N 2 0 295.471 1.561 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](C)C(C)(C)O ZINC000680118477 483541224 /nfs/dbraw/zinc/54/12/24/483541224.db2.gz RZJHEFPSAQHHAP-GFCCVEGCSA-N 2 0 274.368 1.825 10 0 CDAERP C[N@H+](CCCCCO)Cc1ccnn1-c1cc[nH+]cc1 ZINC000668083661 483556266 /nfs/dbraw/zinc/55/62/66/483556266.db2.gz PWWPPTLBBHDVQO-UHFFFAOYSA-N 2 0 274.368 1.862 10 0 CDAERP CN(CC[N@H+](C)CC1=CCCCC1)C(=O)C[NH+]1CCCC1 ZINC001272172860 1160663428 /nfs/dbraw/zinc/66/34/28/1160663428.db2.gz QTLVKTCSZDNTRW-UHFFFAOYSA-N 2 0 293.455 1.973 10 0 CDAERP CC(C)[NH2+]C[C@H]1CC[C@@H](C[N@@H+]2CCOCC2(C)C)O1 ZINC000052546194 519725910 /nfs/dbraw/zinc/72/59/10/519725910.db2.gz RHWSYQXYAHCNJT-KGLIPLIRSA-N 2 0 270.417 1.643 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@H](C[N@H+](CCOC)C2CC2)O1 ZINC000052542510 519955745 /nfs/dbraw/zinc/95/57/45/519955745.db2.gz FYDJOODULWVYSV-UONOGXRCSA-N 2 0 256.390 1.254 10 0 CDAERP CCC[NH2+][C@@H](CN1CCN(CC[NH+](C)C)CC1)C(C)(C)C ZINC000061644028 520007976 /nfs/dbraw/zinc/00/79/76/520007976.db2.gz QRPCEQMQMBTJPG-INIZCTEOSA-N 2 0 298.519 1.580 10 0 CDAERP CC[NH2+]Cc1cn(CC[N@H+](C)C[C@H](C)CC)nn1 ZINC000052454169 520012258 /nfs/dbraw/zinc/01/22/58/520012258.db2.gz PKXKSJWSPZDETE-GFCCVEGCSA-N 2 0 253.394 1.366 10 0 CDAERP CCC[NH2+][C@@](C)(CCCC[N@H+](C)[C@@H](C)COC)C(N)=O ZINC000045421417 520034085 /nfs/dbraw/zinc/03/40/85/520034085.db2.gz VSQPAMMRTMMXQU-ZFWWWQNUSA-N 2 0 287.448 1.367 10 0 CDAERP CCC[NH2+][C@H](C)C1CC[NH+](C[C@@H](O)COC(C)C)CC1 ZINC000070099166 520061888 /nfs/dbraw/zinc/06/18/88/520061888.db2.gz AHEMOUUPABXALQ-GDBMZVCRSA-N 2 0 286.460 1.872 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000061271660 520164912 /nfs/dbraw/zinc/16/49/12/520164912.db2.gz JKNSHWAHQVQFBK-GFCCVEGCSA-N 2 0 269.433 1.754 10 0 CDAERP CC[NH+]1CCC(NC(=O)CC[C@@H]2CCCC[NH2+]2)CC1 ZINC000050948458 521570810 /nfs/dbraw/zinc/57/08/10/521570810.db2.gz XKNPYZKWVHVRHP-ZDUSSCGKSA-N 2 0 267.417 1.509 10 0 CDAERP C[C@@H](C[NH2+]C/C=C/Cl)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001715991254 1179968667 /nfs/dbraw/zinc/96/86/67/1179968667.db2.gz LDNBWJPAWAVLSJ-CHOLDYGZSA-N 2 0 287.835 1.564 10 0 CDAERP CCC[NH2+]CCN(CC)C(=O)C[NH+]1CCC(C)CC1 ZINC001716246275 1180117404 /nfs/dbraw/zinc/11/74/04/1180117404.db2.gz ZTEYSYFIYKKLDC-UHFFFAOYSA-N 2 0 269.433 1.566 10 0 CDAERP CCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001732412891 1182950806 /nfs/dbraw/zinc/95/08/06/1182950806.db2.gz USXMVRHLJBHVHH-OLZOCXBDSA-N 2 0 255.406 1.317 10 0 CDAERP CC(C)(C)[NH+]1CCN(C[C@H]2CC[C@@H](C[NH2+]C3CC3)O2)CC1 ZINC000052571704 518711388 /nfs/dbraw/zinc/71/13/88/518711388.db2.gz JBTJHRBVADAEKW-JKSUJKDBSA-N 2 0 295.471 1.702 10 0 CDAERP CC(C)(C)[C@H]([NH3+])CCN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062942075 518961144 /nfs/dbraw/zinc/96/11/44/518961144.db2.gz VMJDWLNQRBVMLE-ZIAGYGMSSA-N 2 0 253.434 1.920 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cccc(C[NH3+])c1 ZINC000049551587 519339397 /nfs/dbraw/zinc/33/93/97/519339397.db2.gz UZFAALYBRSATEY-OAHLLOKOSA-N 2 0 277.412 1.851 10 0 CDAERP CC(C)[N@H+](CCn1cc(C[NH2+]C2CC2)nn1)CC1CC1 ZINC000052345786 519651247 /nfs/dbraw/zinc/65/12/47/519651247.db2.gz FOMNGSHHBXDUPV-UHFFFAOYSA-N 2 0 277.416 1.651 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2[C@@H](C)CCC[C@@H]2[NH3+])C1 ZINC000055136609 519685392 /nfs/dbraw/zinc/68/53/92/519685392.db2.gz PMQMJHFSNITLDU-ZQDZILKHSA-N 2 0 281.444 1.596 10 0 CDAERP CC(C)CN(CC[NH+](C)C)CC1(C[NH3+])CCOCC1 ZINC000052182295 519716258 /nfs/dbraw/zinc/71/62/58/519716258.db2.gz IPZATQBZCOJZFR-UHFFFAOYSA-N 2 0 271.449 1.262 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)[C@H]2CCC[C@H](C[NH3+])C2)CC1 ZINC000055160903 519724695 /nfs/dbraw/zinc/72/46/95/519724695.db2.gz QKJGMYMCFMWEPA-GJZGRUSLSA-N 2 0 281.444 1.552 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000055082572 519725016 /nfs/dbraw/zinc/72/50/16/519725016.db2.gz IDXLSHQVJOLBMX-KBPBESRZSA-N 2 0 267.417 1.175 10 0 CDAERP CC(C)C[NH+]1CCN(C[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000055082068 519726505 /nfs/dbraw/zinc/72/65/05/519726505.db2.gz ZWTRMIRZNFEXAG-CABCVRRESA-N 2 0 253.434 1.778 10 0 CDAERP CC(C)C[NH+]1CCN(Cc2cccnc2C[NH3+])CC1 ZINC000061656952 519727233 /nfs/dbraw/zinc/72/72/33/519727233.db2.gz VKJBQDCTFWPOTD-UHFFFAOYSA-N 2 0 262.401 1.314 10 0 CDAERP CC(C)C[NH+]1CCN([C@H](c2ccncc2)[C@@H](C)[NH3+])CC1 ZINC000055077496 519728469 /nfs/dbraw/zinc/72/84/69/519728469.db2.gz RDODXKGOFVOJPM-ZBFHGGJFSA-N 2 0 276.428 1.744 10 0 CDAERP CC(C)C[NH+]1CCN([C@H](c2cnn(C)c2)[C@@H](C)[NH3+])CC1 ZINC000055077020 519728561 /nfs/dbraw/zinc/72/85/61/519728561.db2.gz OFYCIKGWTKXYQH-HIFRSBDPSA-N 2 0 279.432 1.082 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)CCC1CC[NH2+]CC1 ZINC000050951196 519793223 /nfs/dbraw/zinc/79/32/23/519793223.db2.gz DWSPSEAVZZGKKB-CQSZACIVSA-N 2 0 269.433 1.469 10 0 CDAERP CC(C)[C@@H](CNC(=O)[C@@H]1CC12CC[NH2+]CC2)[NH+](C)C ZINC000070255205 519794590 /nfs/dbraw/zinc/79/45/90/519794590.db2.gz CNIFTODWBPSUOG-QWHCGFSZSA-N 2 0 267.417 1.079 10 0 CDAERP CCC[NH+]1CCC(C[NH3+])(N(C)CC[NH+]2CCCC2)CC1 ZINC000063051303 519842079 /nfs/dbraw/zinc/84/20/79/519842079.db2.gz UALQUUAQJZOUMV-UHFFFAOYSA-N 3 0 282.476 1.217 10 0 CDAERP CCC[NH+]1CCN(C[C@]2(C[NH2+]C(C)C)CCOC2)CC1 ZINC000051207530 519858525 /nfs/dbraw/zinc/85/85/25/519858525.db2.gz ZWUHGPRUYAGCIR-MRXNPFEDSA-N 2 0 283.460 1.419 10 0 CDAERP CCC[NH+]1CCN(Cc2ccccc2C[NH2+]C)CC1 ZINC000052422075 519859358 /nfs/dbraw/zinc/85/93/58/519859358.db2.gz VLTQGCIFTKZGFE-UHFFFAOYSA-N 2 0 261.413 1.934 10 0 CDAERP CCC[NH+]1CCN(c2nc(C)c(C[NH3+])s2)CC1 ZINC000054968968 519860229 /nfs/dbraw/zinc/86/02/29/519860229.db2.gz IIZZAWVHHWCSKP-UHFFFAOYSA-N 2 0 254.403 1.442 10 0 CDAERP CCCNC(=O)CC[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000052206209 519872717 /nfs/dbraw/zinc/87/27/17/519872717.db2.gz VYSNVVLXIISPEW-ZDUSSCGKSA-N 2 0 255.406 1.367 10 0 CDAERP CCOCCC[NH2+]CCN1CC[NH+](CC(C)C)CC1 ZINC000055075735 519896624 /nfs/dbraw/zinc/89/66/24/519896624.db2.gz OXAJCUYMYRPAQD-UHFFFAOYSA-N 2 0 271.449 1.276 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000061287147 519905191 /nfs/dbraw/zinc/90/51/91/519905191.db2.gz GQDPUQPFMMEOOB-ZDUSSCGKSA-N 2 0 269.433 1.755 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000061290015 519905504 /nfs/dbraw/zinc/90/55/04/519905504.db2.gz SMPIYEUSDVLYDW-LBPRGKRZSA-N 2 0 257.422 1.467 10 0 CDAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC[N@H+](C)C(C)C ZINC000054628595 519910816 /nfs/dbraw/zinc/91/08/16/519910816.db2.gz PYXXJJNUKCOAFI-GOOCMWNKSA-N 2 0 253.434 1.932 10 0 CDAERP CC[NH2+]CCC(=O)NC[C@H](C(CC)CC)[NH+](C)C ZINC000061298639 519916364 /nfs/dbraw/zinc/91/63/64/519916364.db2.gz LZVXMDPWOKIXHQ-CYBMUJFWSA-N 2 0 257.422 1.469 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000061266379 519933515 /nfs/dbraw/zinc/93/35/15/519933515.db2.gz LMSDFSKIYVNTFV-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)NCC1CC[NH+](CC)CC1 ZINC000061267936 519934318 /nfs/dbraw/zinc/93/43/18/519934318.db2.gz WAISDHRTENIJMG-GFCCVEGCSA-N 2 0 255.406 1.080 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000061266988 519935963 /nfs/dbraw/zinc/93/59/63/519935963.db2.gz NOOXLBUZHIRJAM-CYBMUJFWSA-N 2 0 255.406 1.080 10 0 CDAERP CC[NH2+]C[C@@H](C)N1CCC([NH+]2CCCCC2)CC1 ZINC000052484160 519942599 /nfs/dbraw/zinc/94/25/99/519942599.db2.gz PYHKOJGMWFFPTO-CQSZACIVSA-N 2 0 253.434 1.935 10 0 CDAERP CCC[NH2+]Cc1cn(CCOCC[NH+](CC)CC)nn1 ZINC000052671861 519962681 /nfs/dbraw/zinc/96/26/81/519962681.db2.gz KEKYYEZAAMNFBK-UHFFFAOYSA-N 2 0 283.420 1.136 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)C[C@@H]2CCCO2)O1 ZINC000052541058 519976999 /nfs/dbraw/zinc/97/69/99/519976999.db2.gz CPCMVOSDFQRDMZ-RDBSUJKOSA-N 2 0 256.390 1.254 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@@H](C[NH+]2CCC(C[NH+](C)C)CC2)O1 ZINC000052515442 519977070 /nfs/dbraw/zinc/97/70/70/519977070.db2.gz GIDBAYYOUOOEIT-CVEARBPZSA-N 3 0 283.460 1.417 10 0 CDAERP CC[NH2+][C@@H](C)C1CC[NH+](C[C@H](O)COC(C)C)CC1 ZINC000070099159 520059694 /nfs/dbraw/zinc/05/96/94/520059694.db2.gz KBAIQHKUORIPET-ZFWWWQNUSA-N 2 0 272.433 1.482 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000061272749 520060118 /nfs/dbraw/zinc/06/01/18/520060118.db2.gz GMMBYJRRDFZBNF-ZDUSSCGKSA-N 2 0 269.433 1.707 10 0 CDAERP CC[NH2+][C@H](CN(C)CC1CC[NH+](C)CC1)C1CC1 ZINC000069075588 520196645 /nfs/dbraw/zinc/19/66/45/520196645.db2.gz YOXBZENCKFRLBZ-OAHLLOKOSA-N 2 0 253.434 1.648 10 0 CDAERP CCCC[N@H+](C)CCn1cc(C[NH2+]CCC)nn1 ZINC000052417990 520411904 /nfs/dbraw/zinc/41/19/04/520411904.db2.gz YGGANYBKSKOEOC-UHFFFAOYSA-N 2 0 253.394 1.510 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)CC1CCC([NH3+])CC1 ZINC000055139395 520714751 /nfs/dbraw/zinc/71/47/51/520714751.db2.gz DJTSVWXFBZMYMB-IYXRBSQSSA-N 2 0 269.433 1.741 10 0 CDAERP CCC[C@@H]([NH2+]C)[C@H](CC)N1CCN(CC[NH+](C)C)CC1 ZINC000061643996 520768614 /nfs/dbraw/zinc/76/86/14/520768614.db2.gz MISMKVGADYEVDS-CVEARBPZSA-N 2 0 284.492 1.332 10 0 CDAERP CCCCOCCOC[C@@H](O)C[NH2+][C@@H](C)CC[NH+](C)C ZINC000049557216 520789535 /nfs/dbraw/zinc/78/95/35/520789535.db2.gz PONKUMDVVAXVRW-GJZGRUSLSA-N 2 0 290.448 1.110 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(Cc2cc(C)c(C[NH3+])o2)C1 ZINC000062972224 520874119 /nfs/dbraw/zinc/87/41/19/520874119.db2.gz AXNPKSAOGBCHHA-ZDUSSCGKSA-N 2 0 265.401 1.963 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(Cc2ccnc(C(N)=[NH2+])c2)C1 ZINC000068761968 520874176 /nfs/dbraw/zinc/87/41/76/520874176.db2.gz OFVOBGIKTWTFCS-ZDUSSCGKSA-N 2 0 275.400 1.282 10 0 CDAERP CC1CCC([NH2+]CCN2CCN(CC[NH+](C)C)CC2)CC1 ZINC000061655386 520952604 /nfs/dbraw/zinc/95/26/04/520952604.db2.gz AIOVVXXRVMQFEA-UHFFFAOYSA-N 2 0 296.503 1.334 10 0 CDAERP CC1CC[NH+](CCCCNC(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000236697010 521003506 /nfs/dbraw/zinc/00/35/06/521003506.db2.gz BNCBFHAYULBBLQ-CABCVRRESA-N 2 0 281.444 1.742 10 0 CDAERP CCC[C@]1(C(=O)NC[C@@H](C(C)C)[NH+](C)C)CC[NH2+]C1 ZINC000062899667 521298598 /nfs/dbraw/zinc/29/85/98/521298598.db2.gz YOQGQOZJNUMYLO-ZFWWWQNUSA-N 2 0 269.433 1.469 10 0 CDAERP CCOC(=O)[C@](C)(C[C@@H](C)[N@H+](C)C[C@@H]1CC[NH+](C)C1)NC ZINC000068646559 521321672 /nfs/dbraw/zinc/32/16/72/521321672.db2.gz XTSCAOYNOTWRBG-FMKPAKJESA-N 2 0 299.459 1.190 10 0 CDAERP CCOC(=O)[C@](C)(N)C[C@H](C)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000068646411 521329528 /nfs/dbraw/zinc/32/95/28/521329528.db2.gz GRQMRFKNBVHRQU-XJKSGUPXSA-N 2 0 299.459 1.319 10 0 CDAERP CC[NH+]1CCN(C[C@@H]2CC[C@H](C[NH2+]C(C)C)O2)CC1 ZINC000052422497 521685601 /nfs/dbraw/zinc/68/56/01/521685601.db2.gz ZUJPGLHOALYYDR-CABCVRRESA-N 2 0 269.433 1.170 10 0 CDAERP CC[NH+]1CCN([C@@H](CC(N)=[NH2+])c2ccccc2)CC1 ZINC000055022556 521692136 /nfs/dbraw/zinc/69/21/36/521692136.db2.gz JBPWCDFGMNVXBQ-AWEZNQCLSA-N 2 0 260.385 1.691 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000061644929 521832864 /nfs/dbraw/zinc/83/28/64/521832864.db2.gz FLAXLICTZPSQSO-GOEBONIOSA-N 2 0 287.407 1.426 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)Nc1cccc(C[NH3+])c1 ZINC000061653598 521833487 /nfs/dbraw/zinc/83/34/87/521833487.db2.gz KTDMUMFZQYRDDH-AWEZNQCLSA-N 2 0 276.384 1.703 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)c1cccc(C[NH3+])c1 ZINC000061642266 521835385 /nfs/dbraw/zinc/83/53/85/521835385.db2.gz MCMKZFGIMLGHHO-AWEZNQCLSA-N 2 0 261.369 1.312 10 0 CDAERP C[NH2+]C(C)(C)C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000061317717 521933339 /nfs/dbraw/zinc/93/33/39/521933339.db2.gz MOXKVWSCFUPUQK-UHFFFAOYSA-N 2 0 269.433 1.563 10 0 CDAERP COCC[C@H]([NH3+])C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000052792636 521947106 /nfs/dbraw/zinc/94/71/06/521947106.db2.gz XPJWBAUJNPEOCM-ZDUSSCGKSA-N 2 0 265.357 1.051 10 0 CDAERP C[NH2+]C[C@@H]1CC[C@H](COCC[C@@H]2CCC[N@@H+]2C)O1 ZINC000052673614 522061620 /nfs/dbraw/zinc/06/16/20/522061620.db2.gz OWKBBZTXRMAVRW-MELADBBJSA-N 2 0 256.390 1.254 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000055077698 522112826 /nfs/dbraw/zinc/11/28/26/522112826.db2.gz GHHIOECHSOXJNX-VXGBXAGGSA-N 2 0 255.406 1.303 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000055077873 522112246 /nfs/dbraw/zinc/11/22/46/522112246.db2.gz ADVBHAVSZNKZDJ-FXUDXRNXSA-N 2 0 293.455 1.850 10 0 CDAERP C[NH2+]Cc1ccc(C[NH+](CCOC)CCOC)cc1 ZINC000052571472 522118298 /nfs/dbraw/zinc/11/82/98/522118298.db2.gz OSSWXXWVLVXBJO-UHFFFAOYSA-N 2 0 266.385 1.501 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C[C@@]2(C[NH2+]C)CCOC2)CC1 ZINC000055071757 522124839 /nfs/dbraw/zinc/12/48/39/522124839.db2.gz PHIPDQUFDLWIBJ-CABCVRRESA-N 2 0 269.433 1.029 10 0 CDAERP CC[C@H](CC[NH3+])N1CC[NH+](CCOCCC(C)C)CC1 ZINC000049265229 522128337 /nfs/dbraw/zinc/12/83/37/522128337.db2.gz AMLYCWIBVCJALT-MRXNPFEDSA-N 2 0 285.476 1.794 10 0 CDAERP C[NH2+]Cc1sc(N2CCC[N@H+](C)CC2)nc1C ZINC000054968947 522167923 /nfs/dbraw/zinc/16/79/23/522167923.db2.gz SMCLZHUAOABJRD-UHFFFAOYSA-N 2 0 254.403 1.313 10 0 CDAERP C[NH2+][C@@H]1CCCC[C@H]1CN1CC[NH+](C(C)C)CC1 ZINC000053858278 522377447 /nfs/dbraw/zinc/37/74/47/522377447.db2.gz VIOHBYKQHRJRLI-LSDHHAIUSA-N 2 0 253.434 1.791 10 0 CDAERP C[NH2+][C@H](CN(C)CC[NH+]1CCCC1)c1ccc(OC)cc1 ZINC000063051593 522466274 /nfs/dbraw/zinc/46/62/74/522466274.db2.gz CYYCZXHOPHKOKB-QGZVFWFLSA-N 2 0 291.439 1.983 10 0 CDAERP CN[C@](C)(C[C@@H](C)[N@H+](C)CC1CC[NH+](C)CC1)C(=O)OC ZINC000068646437 522519051 /nfs/dbraw/zinc/51/90/51/522519051.db2.gz PVVMSZMOFHSGLN-CZUORRHYSA-N 2 0 299.459 1.190 10 0 CDAERP C[N@@H+](Cc1ccnc(C(N)=[NH2+])c1)CC1CC[NH+](C)CC1 ZINC000068761996 523451051 /nfs/dbraw/zinc/45/10/51/523451051.db2.gz CSXFLQNFMYIERB-UHFFFAOYSA-N 3 0 275.400 1.139 10 0 CDAERP CC[C@@](C)(C[NH3+])CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062970637 523640047 /nfs/dbraw/zinc/64/00/47/523640047.db2.gz VFJGLKYQJZLTPP-GJZGRUSLSA-N 2 0 253.434 1.922 10 0 CDAERP CC[C@@]1(C(=O)N2CC[NH+](CCC(C)C)CC2)CC[NH2+]C1 ZINC000062896282 523691099 /nfs/dbraw/zinc/69/10/99/523691099.db2.gz XVCRLZFYDZLZSW-MRXNPFEDSA-N 2 0 281.444 1.566 10 0 CDAERP C[NH+]1CCC(NC(=O)[C@H]2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000055146968 523774885 /nfs/dbraw/zinc/77/48/85/523774885.db2.gz REKRILJEDMRMFB-STQMWFEESA-N 2 0 267.417 1.352 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)CC2CCC([NH3+])CC2)C1 ZINC000055136292 523842749 /nfs/dbraw/zinc/84/27/49/523842749.db2.gz XOLKVQQUOFOYMD-BPCQOVAHSA-N 2 0 253.390 1.104 10 0 CDAERP C[NH+]1CCN(CC[NH2+]Cc2c[nH]c3ccccc23)CC1 ZINC000049933430 523903796 /nfs/dbraw/zinc/90/37/96/523903796.db2.gz OBUZVIJTVQVDHM-UHFFFAOYSA-N 2 0 272.396 1.505 10 0 CDAERP CC[C@H](C)[NH+]1CCN([C@]2(C[NH3+])CCCSC2)CC1 ZINC000061590316 523959059 /nfs/dbraw/zinc/95/90/59/523959059.db2.gz OUHIKTCMJRIQIG-KBPBESRZSA-N 2 0 271.474 1.627 10 0 CDAERP C[N@H+]1[C@@H]2CC[C@H]1CC(C[NH2+][C@@H]1CCCS(=O)(=O)C1)C2 ZINC000069137230 524031159 /nfs/dbraw/zinc/03/11/59/524031159.db2.gz JJVFJTUBEMSRGI-CPIKKWJDSA-N 2 0 286.441 1.026 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@@H]2CCC[C@H](C[NH3+])C2)CC1 ZINC000055147407 524038867 /nfs/dbraw/zinc/03/88/67/524038867.db2.gz BKEXHADCPCTMPW-QWHCGFSZSA-N 2 0 267.417 1.304 10 0 CDAERP C[NH+](C)CC1CCN(Cc2[nH+]c(NN)ccc2Cl)CC1 ZINC000061631468 524049506 /nfs/dbraw/zinc/04/95/06/524049506.db2.gz PSZBQDGGXKHPDQ-UHFFFAOYSA-N 2 0 297.834 1.794 10 0 CDAERP Cc1cc(C)c(C(N)=[NH2+])c(N2CC[NH+](C3CC3)CC2)n1 ZINC000048993897 524218434 /nfs/dbraw/zinc/21/84/34/524218434.db2.gz XOCWBLZUMGDCFF-UHFFFAOYSA-N 2 0 273.384 1.267 10 0 CDAERP C[C@@H]1CCC[C@H](C(=O)N2CC[NH+](C3CCCC3)CC2)[NH2+]1 ZINC000052063212 524344831 /nfs/dbraw/zinc/34/48/31/524344831.db2.gz QEFWELMUHHAFSN-UKRRQHHQSA-N 2 0 279.428 1.604 10 0 CDAERP C[C@H]1CC[C@@H]([NH3+])C[C@@H]1C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000055131573 524360071 /nfs/dbraw/zinc/36/00/71/524360071.db2.gz KOOAGPATEBVBFW-DGAVXFQQSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@H]1CC[C@@H]([NH3+])C[C@@H]1C(=O)N1CCC([NH+](C)C)CC1 ZINC000055128227 524361473 /nfs/dbraw/zinc/36/14/73/524361473.db2.gz HKAXEQLLGYYICP-SCRDCRAPSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@H](C[NH2+]C1CCCC1)N1CCC[C@@H]1C[NH+](C)C ZINC000061655058 524480631 /nfs/dbraw/zinc/48/06/31/524480631.db2.gz SEUIOFZWMAUDLJ-UKRRQHHQSA-N 2 0 253.434 1.933 10 0 CDAERP C[C@@H](C[NH+]1CCCC1)NC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000052882855 524590301 /nfs/dbraw/zinc/59/03/01/524590301.db2.gz BONWDIUWPLGMMH-XJKSGUPXSA-N 2 0 275.396 1.461 10 0 CDAERP C[C@@H]1CC[C@H](C(=O)NCC2CC[NH+](C)CC2)C[C@@H]1[NH3+] ZINC000055140157 524633780 /nfs/dbraw/zinc/63/37/80/524633780.db2.gz WVLXAWMHSXJFGC-XBFCOCLRSA-N 2 0 267.417 1.208 10 0 CDAERP C[C@@H]([NH3+])c1cnc(N(C)[C@@H]2CCC[N@H+](C)C2)s1 ZINC000054896339 525031538 /nfs/dbraw/zinc/03/15/38/525031538.db2.gz DVZQVROAEGIGMH-NXEZZACHSA-N 2 0 254.403 1.693 10 0 CDAERP Cc1c(N)cccc1C[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061642294 525819418 /nfs/dbraw/zinc/81/94/18/525819418.db2.gz VECCTTMFLLZGOB-UHFFFAOYSA-N 2 0 276.428 1.256 10 0 CDAERP C[C@H](CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000156066400 526229195 /nfs/dbraw/zinc/22/91/95/526229195.db2.gz RJVZZXUQQBYKCG-RBSFLKMASA-N 2 0 279.428 1.319 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(NN)[nH+]c1 ZINC000051092087 526247991 /nfs/dbraw/zinc/24/79/91/526247991.db2.gz KCZTYHLZQARWHE-LBPRGKRZSA-N 2 0 291.399 1.362 10 0 CDAERP O=C(CC[C@H]1CCCC[NH2+]1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000050946936 526564226 /nfs/dbraw/zinc/56/42/26/526564226.db2.gz FVPMLKAZTCFBTQ-HUUCEWRRSA-N 2 0 279.428 1.605 10 0 CDAERP Cc1nocc1C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000339246161 526689408 /nfs/dbraw/zinc/68/94/08/526689408.db2.gz AJUZYRGGUSLEMX-CQSZACIVSA-N 2 0 267.373 1.310 10 0 CDAERP Cc1oc(C[NH3+])cc1CN1CCC[C@@H]1C[NH+](C)C ZINC000061654602 526768887 /nfs/dbraw/zinc/76/88/87/526768887.db2.gz LEXDSIIUSZJKRP-CYBMUJFWSA-N 2 0 251.374 1.573 10 0 CDAERP NC(=[NH2+])c1ncccc1C[N@@H+]1CCCSCC1 ZINC000061658137 526824663 /nfs/dbraw/zinc/82/46/63/526824663.db2.gz RTMOLKTYINDKTK-UHFFFAOYSA-N 2 0 250.371 1.305 10 0 CDAERP Cc1nc(N2CC[NH+](C3CCCC3)CC2)sc1C[NH3+] ZINC000054998311 526968419 /nfs/dbraw/zinc/96/84/19/526968419.db2.gz BTDMJRPNEOIMBH-UHFFFAOYSA-N 2 0 280.441 1.975 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1Cc2ccccc2O1 ZINC000054628389 527146543 /nfs/dbraw/zinc/14/65/43/527146543.db2.gz SOGDDHOZLPRREF-DKUMPPAJSA-N 2 0 258.365 1.944 10 0 CDAERP [NH3+]Cc1ccnc(N2CC[NH+](C3CCCC3)CC2)c1 ZINC000052048820 527262800 /nfs/dbraw/zinc/26/28/00/527262800.db2.gz JEFXJCONOBIAIB-UHFFFAOYSA-N 2 0 260.385 1.605 10 0 CDAERP [NH3+][C@H]1CCC[C@@H](C(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000062034735 527402375 /nfs/dbraw/zinc/40/23/75/527402375.db2.gz NWNKIPSENVWFAS-CVEARBPZSA-N 2 0 293.455 1.838 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)C1 ZINC000417241504 534954392 /nfs/dbraw/zinc/95/43/92/534954392.db2.gz RQNYQTHCUSYYRW-MGPQQGTHSA-N 2 0 282.432 1.016 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000250212991 535565938 /nfs/dbraw/zinc/56/59/38/535565938.db2.gz CVIOJPJTBGGAJB-KBXIAJHMSA-N 2 0 279.428 1.508 10 0 CDAERP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261679484 536406192 /nfs/dbraw/zinc/40/61/92/536406192.db2.gz GVAVMWHJKRHFCM-RBSFLKMASA-N 2 0 281.444 1.694 10 0 CDAERP C[N@H+](C[C@@H](O)CC1CCCC1)C[C@@H]1CC[NH+](C)C1 ZINC000232144586 536417325 /nfs/dbraw/zinc/41/73/25/536417325.db2.gz LTQOBVYYFOMLAA-CABCVRRESA-N 2 0 254.418 1.811 10 0 CDAERP Cc1nn(C)c2sc([C@@H]3[NH2+]C[C@H](C)C[C@H]3N)cc12 ZINC000757212936 574906604 /nfs/dbraw/zinc/90/66/04/574906604.db2.gz KDUQLAKXLPXIKL-NYRNMGCKSA-N 2 0 264.398 1.941 10 0 CDAERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C/C=C(/C)C(=O)OC)C1 ZINC000748823495 576928082 /nfs/dbraw/zinc/92/80/82/576928082.db2.gz AKGSZGVJKBBHTQ-XIEDVDOYSA-N 2 0 298.427 1.538 10 0 CDAERP C[NH2+]C[C@@H]1CCC[N@H+](C[C@H]2CC3(CCC3)CO2)C1 ZINC000872142374 620694519 /nfs/dbraw/zinc/69/45/19/620694519.db2.gz ROBLGBVYBQDFNL-UONOGXRCSA-N 2 0 252.402 1.877 10 0 CDAERP C(CC[NH+]1CCOCC1)C[NH2+]C1CCSCC1 ZINC000125944449 1175422634 /nfs/dbraw/zinc/42/26/34/1175422634.db2.gz QANGDODDORQPAD-UHFFFAOYSA-N 2 0 258.431 1.584 10 0 CDAERP CC1(C)[C@H]([NH2+]CCOC[C@H]2CCOC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925567122 617515316 /nfs/dbraw/zinc/51/53/16/617515316.db2.gz NKHQHIHMOSJPJY-LJISPDSOSA-N 2 0 282.428 1.406 10 0 CDAERP CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925612688 617557272 /nfs/dbraw/zinc/55/72/72/617557272.db2.gz TWMUBWIGIDRQOE-ZGKBOVNRSA-N 2 0 286.485 1.857 10 0 CDAERP CC(C)[C@H](O)C(C)(C)C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925626889 617573118 /nfs/dbraw/zinc/57/31/18/617573118.db2.gz UWASXROILSTIEI-AVGNSLFASA-N 2 0 254.418 1.889 10 0 CDAERP C1C(N[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1[NH+]1CCCCC1 ZINC000925663116 617608492 /nfs/dbraw/zinc/60/84/92/617608492.db2.gz PMWIUSXCEKKLDA-GNXILFMQSA-N 2 0 275.440 1.589 10 0 CDAERP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC[C@@H]1CC(=O)N(C)C1 ZINC000925807842 617748760 /nfs/dbraw/zinc/74/87/60/617748760.db2.gz DMKDMYWTQNFEHO-NUEKZKHPSA-N 2 0 289.423 1.403 10 0 CDAERP CC1(C)[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925708686 617799538 /nfs/dbraw/zinc/79/95/38/617799538.db2.gz SFCJFDQCAYCHLN-NHOPFSRNSA-N 3 0 277.456 1.741 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2N[C@@H]1C[NH2+]CCC1(F)F ZINC000925710892 617805455 /nfs/dbraw/zinc/80/54/55/617805455.db2.gz QTEIZSLOUGNIBX-TZMBILIQSA-N 2 0 259.344 1.089 10 0 CDAERP OC1(C2(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)CCOCC1 ZINC000925825559 617807902 /nfs/dbraw/zinc/80/79/02/617807902.db2.gz GOKZVKHPXVLZJL-QLFBSQMISA-N 2 0 294.439 1.286 10 0 CDAERP C1=C[C@@H](C[NH2+][C@H]2CC[NH2+]C23CCCC3)[C@H]2CO[C@@H]1C2 ZINC000925830055 617848478 /nfs/dbraw/zinc/84/84/78/617848478.db2.gz IFWVCYHFHHIWIB-XGUBFFRZSA-N 2 0 262.397 1.842 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000925835626 617864431 /nfs/dbraw/zinc/86/44/31/617864431.db2.gz UWBHMJLRKWWVMN-SDDRHHMPSA-N 2 0 298.349 1.830 10 0 CDAERP FC(F)(F)[C@]1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCCN1 ZINC000925857275 617895625 /nfs/dbraw/zinc/89/56/25/617895625.db2.gz SKIAXIZSRUAYOO-WUHRBBMRSA-N 2 0 291.361 1.649 10 0 CDAERP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000925765343 618144823 /nfs/dbraw/zinc/14/48/23/618144823.db2.gz MWKHMAGPIRLWLU-CTTWBBHYSA-N 2 0 252.402 1.907 10 0 CDAERP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@@H](O)CCc1ccccc1)C2 ZINC000923424640 618328413 /nfs/dbraw/zinc/32/84/13/618328413.db2.gz HKVYLAOBDNKPIW-YESZJQIVSA-N 2 0 274.408 1.521 10 0 CDAERP COC(=O)CC[C@@H]1CCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923425221 618331176 /nfs/dbraw/zinc/33/11/76/618331176.db2.gz KCLOVCHQNOIMOH-KBPBESRZSA-N 2 0 296.411 1.030 10 0 CDAERP O[C@H](C[NH2+]C1C[C@H]2CCC[C@@H]2C1)C[NH+]1CCCC1 ZINC000902762944 625298451 /nfs/dbraw/zinc/29/84/51/625298451.db2.gz RUDFKSLDMZHETC-UMVBOHGHSA-N 2 0 252.402 1.611 10 0 CDAERP C([NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000902742151 625301979 /nfs/dbraw/zinc/30/19/79/625301979.db2.gz KSJAWNDIYMVBBA-SQNOXXGPSA-N 2 0 276.424 1.874 10 0 CDAERP C[C@H]1[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[N@@H+]1C ZINC000928441564 619085846 /nfs/dbraw/zinc/08/58/46/619085846.db2.gz SNGNLWPXJUKMEG-UONOGXRCSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)OC ZINC000895127016 619322280 /nfs/dbraw/zinc/32/22/80/619322280.db2.gz DATSPJGTZQBISO-JHJVBQTASA-N 2 0 254.374 1.402 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000897956477 621244909 /nfs/dbraw/zinc/24/49/09/621244909.db2.gz NMNWCKFYOLUTCB-AWEZNQCLSA-N 2 0 286.379 1.823 10 0 CDAERP CC(C)(CNC(=O)[C@H]1CCC[N@@H+]1C1CC1)n1ccnc1 ZINC000898907216 621946240 /nfs/dbraw/zinc/94/62/40/621946240.db2.gz NVNDFAQEXVQIOM-CYBMUJFWSA-N 2 0 276.384 1.361 10 0 CDAERP COCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@H](C)C1CC1 ZINC000899265167 622128821 /nfs/dbraw/zinc/12/88/21/622128821.db2.gz SCVHWJJCXHKJQL-YPMHNXCESA-N 2 0 268.405 1.010 10 0 CDAERP C[C@@H](NC(=[NH2+])NCC[NH+]1CCC(C)CC1)C1CC1 ZINC000899266052 622130420 /nfs/dbraw/zinc/13/04/20/622130420.db2.gz OXASTCDBHXPDLL-GFCCVEGCSA-N 2 0 252.406 1.631 10 0 CDAERP C([NH2+][C@@H]1CCO[C@@]12CCOC2)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000903064252 625812345 /nfs/dbraw/zinc/81/23/45/625812345.db2.gz ALAYOYBAMJEJPZ-BPLDGKMQSA-N 2 0 266.385 1.008 10 0 CDAERP C(C1CC1)[NH+]1CCC([NH2+][C@H]2CCO[C@]23CCOC3)CC1 ZINC000903074657 625837781 /nfs/dbraw/zinc/83/77/81/625837781.db2.gz OUCYPWVDHZJTML-HOTGVXAUSA-N 2 0 280.412 1.398 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]CC2(C3(O)CCOCC3)CC2)[C@@H](C)C1 ZINC000903350759 625976138 /nfs/dbraw/zinc/97/61/38/625976138.db2.gz YNSBIJVIZCDVRH-GJZGRUSLSA-N 2 0 296.455 1.628 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000903461073 625996058 /nfs/dbraw/zinc/99/60/58/625996058.db2.gz OJZGVTURDIQHOI-OLMNGRFOSA-N 3 0 281.444 1.060 10 0 CDAERP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903445989 625998957 /nfs/dbraw/zinc/99/89/57/625998957.db2.gz QKYLFHFPURAAFM-PMPSAXMXSA-N 3 0 283.460 1.275 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN(Cc3ccccn3)CC2)C1 ZINC000903445936 625999017 /nfs/dbraw/zinc/99/90/17/625999017.db2.gz OHFXBNFQXABOKA-LSDHHAIUSA-N 2 0 274.412 1.327 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000903454027 626001702 /nfs/dbraw/zinc/00/17/02/626001702.db2.gz RVPHAOVPMJLAHL-BARDWOONSA-N 2 0 251.418 1.448 10 0 CDAERP COC(=O)[C@H]1CC12CC[NH+](C[C@@H]1CC[C@H]([NH3+])C1)CC2 ZINC000903455360 626002045 /nfs/dbraw/zinc/00/20/45/626002045.db2.gz VOBOTVMYSPVXBH-FRRDWIJNSA-N 2 0 266.385 1.389 10 0 CDAERP CC[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCN1CC(F)F ZINC000903457258 626002554 /nfs/dbraw/zinc/00/25/54/626002554.db2.gz PFALQCNQKCLUTJ-AGIUHOORSA-N 2 0 275.387 1.775 10 0 CDAERP CO[C@@H]1CC[C@H]2OCC[N@H+](C[C@@H]3CC[C@H]([NH3+])C3)[C@@H]2C1 ZINC000903457448 626002807 /nfs/dbraw/zinc/00/28/07/626002807.db2.gz STENIEPRADMMCQ-XLWJZTARSA-N 2 0 268.401 1.382 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000903475827 626004929 /nfs/dbraw/zinc/00/49/29/626004929.db2.gz FAVDGPCMAFAVEC-IPYPFGDCSA-N 2 0 253.434 1.539 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@@H](C)c1ncc(C)o1)C2 ZINC000903492871 626011085 /nfs/dbraw/zinc/01/10/85/626011085.db2.gz JZTXHNVDFOGOQI-OHTBPHCPSA-N 2 0 293.367 1.256 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)NCCC(C)(C)C)C[C@H]1CC[NH3+] ZINC000903497490 626011879 /nfs/dbraw/zinc/01/18/79/626011879.db2.gz ZWDJQEWCILTPRC-CHWSQXEVSA-N 2 0 269.433 1.456 10 0 CDAERP C[C@H](C(=O)NC1CCC(C)CC1)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496497 626011932 /nfs/dbraw/zinc/01/19/32/626011932.db2.gz PSVHOVCMPQSBIP-ZHGALXRWSA-N 2 0 295.471 1.987 10 0 CDAERP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCO[C@@H](C)CC2)cc1 ZINC000903570272 626028374 /nfs/dbraw/zinc/02/83/74/626028374.db2.gz YHLONRRIDXGZDE-DZGCQCFKSA-N 2 0 278.396 1.848 10 0 CDAERP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000903725253 626065394 /nfs/dbraw/zinc/06/53/94/626065394.db2.gz YJYUZPCFKAWEKA-IMJJTQAJSA-N 2 0 280.412 1.256 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])CN(C)CC[C@@H]([NH3+])C(C)C)cnn1C ZINC000903874010 626127618 /nfs/dbraw/zinc/12/76/18/626127618.db2.gz QKPQZOFEUBRZSQ-GOEBONIOSA-N 2 0 295.475 1.151 10 0 CDAERP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000903874061 626127887 /nfs/dbraw/zinc/12/78/87/626127887.db2.gz RJVUXZOVUKELAZ-MUOSFQKXSA-N 3 0 277.456 1.981 10 0 CDAERP CC[C@H](C)C[N@H+](C)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903886452 626133752 /nfs/dbraw/zinc/13/37/52/626133752.db2.gz SSQQFDJLGNWQOU-GXTWGEPZSA-N 2 0 266.433 1.824 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCC3(CCC3)C2)cnn1C ZINC000903897067 626136192 /nfs/dbraw/zinc/13/61/92/626136192.db2.gz YRBMOORJKFXHPI-CQSZACIVSA-N 2 0 276.428 1.722 10 0 CDAERP C[C@@H]1CSCC[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903912502 626144654 /nfs/dbraw/zinc/14/46/54/626144654.db2.gz FWTOPIJTQPWZPM-STQMWFEESA-N 2 0 295.456 1.388 10 0 CDAERP [NH3+]CC1(CC[NH2+]Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000903931173 626151415 /nfs/dbraw/zinc/15/14/15/626151415.db2.gz ADKQHSFPYQXRTJ-UHFFFAOYSA-N 3 0 259.397 1.551 10 0 CDAERP [NH3+][C@@H](C[NH2+][C@H]1CNc2ccccc2C1)CC(F)F ZINC000903931198 626151828 /nfs/dbraw/zinc/15/18/28/626151828.db2.gz ARBHQJYWKHGAHD-GHMZBOCLSA-N 2 0 255.312 1.595 10 0 CDAERP C1=C(CN[C@@H]2C[NH2+]CC3(CCOCC3)C2)COCC1 ZINC000903969684 626167396 /nfs/dbraw/zinc/16/73/96/626167396.db2.gz JAZQYRALMLKSFE-AWEZNQCLSA-N 2 0 266.385 1.081 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1c[nH]nc1-c1cccnc1 ZINC000903974871 626169263 /nfs/dbraw/zinc/16/92/63/626169263.db2.gz USTKBLZIDAVHSQ-CHWSQXEVSA-N 2 0 285.395 1.807 10 0 CDAERP C[C@@H]1CCC[N@H+](CCNC(=[NH2+])NC[C@H]2CCCS2)C1 ZINC000905041602 626380874 /nfs/dbraw/zinc/38/08/74/626380874.db2.gz LEXWEBXXRKZLIX-CHWSQXEVSA-N 2 0 284.473 1.728 10 0 CDAERP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1CC[NH+](C)C)[NH+](C)C ZINC000912648043 630125302 /nfs/dbraw/zinc/12/53/02/630125302.db2.gz CSLYYJVKRJCAJW-MGPQQGTHSA-N 2 0 269.433 1.658 10 0 CDAERP Cc1nccn1CC(=O)N1[C@H](C)CCC[C@H]1CC[NH+](C)C ZINC000912649764 630126446 /nfs/dbraw/zinc/12/64/46/630126446.db2.gz ZHTMEKYDIHQHHN-HIFRSBDPSA-N 2 0 292.427 1.913 10 0 CDAERP O=C(NC12CC[NH+](CC1)C2)C1C[NH+](C2CCCCC2)C1 ZINC000913634906 630721254 /nfs/dbraw/zinc/72/12/54/630721254.db2.gz JHBJVCNCOGADON-UHFFFAOYSA-N 2 0 277.412 1.215 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N[C@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC000915679093 631792206 /nfs/dbraw/zinc/79/22/06/631792206.db2.gz VNISQKNYGPMGSS-ZFWWWQNUSA-N 2 0 296.459 1.500 10 0 CDAERP Cc1nccn1CCC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925473668 632686119 /nfs/dbraw/zinc/68/61/19/632686119.db2.gz NZOKUEPJCLQTDO-QLFBSQMISA-N 2 0 276.428 1.948 10 0 CDAERP CC1(C)C[C@@H]([NH2+]C[C@H](CO)Cc2ccco2)C[C@@H]([NH3+])C1 ZINC000925479420 632759747 /nfs/dbraw/zinc/75/97/47/632759747.db2.gz YWVULXVDHXDWCL-MCIONIFRSA-N 2 0 280.412 1.926 10 0 CDAERP COCC[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001671332577 1158612429 /nfs/dbraw/zinc/61/24/29/1158612429.db2.gz BNESINPXDGVSCV-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP C[NH+](C)C1(C(=O)N2CCC[C@H](C[NH2+]CCCF)C2)CCC1 ZINC001266791243 1158830248 /nfs/dbraw/zinc/83/02/48/1158830248.db2.gz XAFPIFUNEHIXOO-CQSZACIVSA-N 2 0 299.434 1.659 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CC1CCCC1 ZINC001731795477 1159341954 /nfs/dbraw/zinc/34/19/54/1159341954.db2.gz RBPVBVFMQOKQDI-AWEZNQCLSA-N 2 0 267.417 1.176 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001482598814 1160536991 /nfs/dbraw/zinc/53/69/91/1160536991.db2.gz LXOIUSXRECYAQJ-HOCLYGCPSA-N 2 0 295.471 1.765 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(CC)CC[NH2+]CC2CCC2)CC[N@@H+]1C ZINC001482924312 1160646101 /nfs/dbraw/zinc/64/61/01/1160646101.db2.gz DOJOUDGNFFFSKS-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@@H+]1CC[C@@]2(NC(=O)[C@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001410890120 1161960632 /nfs/dbraw/zinc/96/06/32/1161960632.db2.gz DSAKSDXTOXCPJV-LZWOXQAQSA-N 2 0 281.444 1.850 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000344162588 1164339245 /nfs/dbraw/zinc/33/92/45/1164339245.db2.gz AHQJSBOHRVZPEM-IHRRRGAJSA-N 2 0 269.433 1.563 10 0 CDAERP COCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001490801893 1164862659 /nfs/dbraw/zinc/86/26/59/1164862659.db2.gz ZVXVXSSLZNECMQ-GASCZTMLSA-N 2 0 297.443 1.040 10 0 CDAERP CC1(C)[C@H]([NH3+])c2ccccc2N1C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000867987193 1164894285 /nfs/dbraw/zinc/89/42/85/1164894285.db2.gz ISEUVBKUGVHYAH-CJNGLKHVSA-N 2 0 273.380 1.811 10 0 CDAERP CC[C@H](C)[C@H](C)[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC001619575992 1165648233 /nfs/dbraw/zinc/64/82/33/1165648233.db2.gz IBDSWDXPJTZFBK-STQMWFEESA-N 2 0 255.406 1.127 10 0 CDAERP C[C@H](CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)[NH+](C)C ZINC001632580835 1166360353 /nfs/dbraw/zinc/36/03/53/1166360353.db2.gz IOFQBGMKFBDWIG-MGPQQGTHSA-N 2 0 269.433 1.563 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NCC1(C)CC[NH+](C)CC1 ZINC001637025672 1166718274 /nfs/dbraw/zinc/71/82/74/1166718274.db2.gz YKRVOYDTNHZBIS-ZDUSSCGKSA-N 2 0 269.433 1.422 10 0 CDAERP O=C1[C@@H]([N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)CCN1C1CC1 ZINC001645954177 1167586651 /nfs/dbraw/zinc/58/66/51/1167586651.db2.gz WFFOTXWATYMZFG-ZBFHGGJFSA-N 2 0 291.439 1.461 10 0 CDAERP CCOCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001566813401 1168431876 /nfs/dbraw/zinc/43/18/76/1168431876.db2.gz AUTGTJQXPOLKKI-KKUMJFAQSA-N 2 0 297.443 1.134 10 0 CDAERP CCC(C)(C)[NH+]1CCN(C(=O)[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC001649872596 1169454441 /nfs/dbraw/zinc/45/44/41/1169454441.db2.gz PQUVFOYJPCZPRP-KBPBESRZSA-N 2 0 281.444 1.837 10 0 CDAERP CCN(CC[NH2+]CCOC)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001568751584 1169462414 /nfs/dbraw/zinc/46/24/14/1169462414.db2.gz PYEWKUNWLSUPJN-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)[NH2+]C/C=C\CNC(=O)CCC[NH+]1CCCCC1 ZINC001568966549 1169565812 /nfs/dbraw/zinc/56/58/12/1169565812.db2.gz XYGRISXAGLIPMQ-PLNGDYQASA-N 2 0 281.444 1.923 10 0 CDAERP C[C@@H](C[NH2+]CCF)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001569058565 1169623454 /nfs/dbraw/zinc/62/34/54/1169623454.db2.gz KNTHRMLLEHGCEU-LBPRGKRZSA-N 2 0 273.396 1.315 10 0 CDAERP CC[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001570633574 1170217487 /nfs/dbraw/zinc/21/74/87/1170217487.db2.gz INWJPISJNKEGTA-RYUDHWBXSA-N 2 0 257.422 1.467 10 0 CDAERP CCC[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001571465612 1170440648 /nfs/dbraw/zinc/44/06/48/1170440648.db2.gz IAYLHCRHNYJPBG-KGLIPLIRSA-N 2 0 269.433 1.707 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)C ZINC001571639477 1170504819 /nfs/dbraw/zinc/50/48/19/1170504819.db2.gz ORXQUWJKBBMDGH-LBPRGKRZSA-N 2 0 257.422 1.467 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCCNc2cc[nH+]cc2)C1 ZINC001650724773 1171252917 /nfs/dbraw/zinc/25/29/17/1171252917.db2.gz BXGVCCGIJCESOQ-UKRRQHHQSA-N 2 0 290.411 1.152 10 0 CDAERP CC(C)[NH2+][C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001661183065 1172349618 /nfs/dbraw/zinc/34/96/18/1172349618.db2.gz QWXXJJRSSWNHOA-GXTWGEPZSA-N 2 0 267.417 1.221 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H](C)[NH2+]C(C)C ZINC001662233597 1172511838 /nfs/dbraw/zinc/51/18/38/1172511838.db2.gz BBAKPNCXZVUXRS-VXGBXAGGSA-N 2 0 261.385 1.169 10 0 CDAERP CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]CCC(F)(F)F)[NH+](C)C ZINC001666933290 1173208812 /nfs/dbraw/zinc/20/88/12/1173208812.db2.gz PTUSDWYYXPAPMC-GHMZBOCLSA-N 2 0 297.365 1.716 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CCF ZINC001668083182 1173366492 /nfs/dbraw/zinc/36/64/92/1173366492.db2.gz XEZWNJGPOKCWEY-STQMWFEESA-N 2 0 273.396 1.315 10 0 CDAERP CC(C)=CC[NH2+]C/C=C/CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001669151022 1173509954 /nfs/dbraw/zinc/50/99/54/1173509954.db2.gz MTBHHDCWDIKOHM-KIUWMYQTSA-N 2 0 281.444 1.801 10 0 CDAERP CC(C)=CC[NH2+]C/C=C\CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001669151023 1173510381 /nfs/dbraw/zinc/51/03/81/1173510381.db2.gz MTBHHDCWDIKOHM-LZNQSLFOSA-N 2 0 281.444 1.801 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCO[C@H](C[NH2+]CCC(C)C)C1 ZINC001673328119 1173845166 /nfs/dbraw/zinc/84/51/66/1173845166.db2.gz YQMSDSFREPEDLG-OAHLLOKOSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)=CC[N@@H+]1CC[C@@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001691924153 1175652233 /nfs/dbraw/zinc/65/22/33/1175652233.db2.gz HRYNWXPIDHFXAQ-MRXNPFEDSA-N 2 0 293.455 1.877 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@](C)(C[NH2+]C/C=C\Cl)C1CC1 ZINC001698648920 1175886718 /nfs/dbraw/zinc/88/67/18/1175886718.db2.gz LRJNJFCHAYIYED-BPELZBTASA-N 2 0 299.846 1.708 10 0 CDAERP CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001698922797 1175985280 /nfs/dbraw/zinc/98/52/80/1175985280.db2.gz IDDZELAAJLUSNA-ZIAGYGMSSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)OCC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001698962506 1175998232 /nfs/dbraw/zinc/99/82/32/1175998232.db2.gz UWQVRSMWOLFTFL-GJZGRUSLSA-N 2 0 299.459 1.236 10 0 CDAERP CC[N@H+](C)CCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001698990613 1176018103 /nfs/dbraw/zinc/01/81/03/1176018103.db2.gz CLTPNSMOSRORSU-UONOGXRCSA-N 2 0 267.417 1.413 10 0 CDAERP CC[C@H](F)C[NH2+]C/C=C\CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001699257848 1176184109 /nfs/dbraw/zinc/18/41/09/1176184109.db2.gz FCBCFXITZZYWOA-VUBDOFJKSA-N 2 0 297.418 1.338 10 0 CDAERP CN(CCC[NH2+]Cc1ccns1)C(=O)C[NH+]1CCCC1 ZINC001699550837 1176472062 /nfs/dbraw/zinc/47/20/62/1176472062.db2.gz LZIANVHDAMXEHA-UHFFFAOYSA-N 2 0 296.440 1.177 10 0 CDAERP CC(C)[NH+]1CCC(C)(NC(=O)C[NH+]2CCCC2)CC1 ZINC001699775412 1176617235 /nfs/dbraw/zinc/61/72/35/1176617235.db2.gz STYIARMLYFXNPR-UHFFFAOYSA-N 2 0 267.417 1.461 10 0 CDAERP CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001700643948 1177052467 /nfs/dbraw/zinc/05/24/67/1177052467.db2.gz IGNOAHBUOLAMAC-IHRRRGAJSA-N 2 0 267.417 1.223 10 0 CDAERP CC[C@H](C(=O)N(C)C1CC([NH2+]CC(C)C)C1)[NH+](C)C ZINC001701019741 1177242709 /nfs/dbraw/zinc/24/27/09/1177242709.db2.gz PEDUHEUVLHJVIG-JXQTWKCFSA-N 2 0 269.433 1.562 10 0 CDAERP CC[C@@H](C(=O)NCC1=CC[N@H+](CC2CC2)CC1)[NH+](C)C ZINC001701057180 1177259911 /nfs/dbraw/zinc/25/99/11/1177259911.db2.gz CLHHNUKFHXOMAJ-HNNXBMFYSA-N 2 0 279.428 1.485 10 0 CDAERP CC[NH2+]CCCCCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001707186073 1177962412 /nfs/dbraw/zinc/96/24/12/1177962412.db2.gz FKOSRUSODBWREP-CQSZACIVSA-N 2 0 269.433 1.566 10 0 CDAERP C[N@H+](CCCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)CC1CC1 ZINC001707385105 1178010464 /nfs/dbraw/zinc/01/04/64/1178010464.db2.gz HIXCWIYEODIVMY-JKSUJKDBSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH+](C)C/C=C/Cl)C1 ZINC001707408835 1178027362 /nfs/dbraw/zinc/02/73/62/1178027362.db2.gz NGCXJKRPJJGWKJ-VUUYWXRKSA-N 2 0 287.835 1.519 10 0 CDAERP CC(C)[N@H+](C)CCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001707417518 1178030623 /nfs/dbraw/zinc/03/06/23/1178030623.db2.gz HZKOAZSSAWOUCT-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)COCC[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001713310960 1178488416 /nfs/dbraw/zinc/48/84/16/1178488416.db2.gz GJEVRHUZDSYMSI-RBSFLKMASA-N 2 0 299.459 1.094 10 0 CDAERP CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001713351995 1178515505 /nfs/dbraw/zinc/51/55/05/1178515505.db2.gz OYPOSPYPPMAGEV-HZPDHXFCSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]CC1CC(C)C1 ZINC001713590960 1178672862 /nfs/dbraw/zinc/67/28/62/1178672862.db2.gz WIPGZYFBEXVCQY-UYSNPLJNSA-N 2 0 295.471 1.953 10 0 CDAERP CCCCCC[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001713663723 1178701796 /nfs/dbraw/zinc/70/17/96/1178701796.db2.gz QAXSYCMRTHUPKS-AWEZNQCLSA-N 2 0 269.433 1.566 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCCF)C1CC1 ZINC001713866743 1178800009 /nfs/dbraw/zinc/80/00/09/1178800009.db2.gz UCVJTCBXTNGEDH-CABCVRRESA-N 2 0 299.434 1.703 10 0 CDAERP O=C(NC[C@@H]([NH2+]CCCF)C1CC1)[C@@]12CC[N@H+](C1)CCC2 ZINC001713882347 1178814379 /nfs/dbraw/zinc/81/43/79/1178814379.db2.gz WPUZXOYVGPCWHQ-ZBFHGGJFSA-N 2 0 297.418 1.316 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCCF)C1 ZINC001713985386 1178909952 /nfs/dbraw/zinc/90/99/52/1178909952.db2.gz MUECZQONBRAPPS-HZSPNIEDSA-N 2 0 285.407 1.456 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001714235528 1179038293 /nfs/dbraw/zinc/03/82/93/1179038293.db2.gz JYJYOIMWZYPLJR-KBPBESRZSA-N 2 0 269.433 1.610 10 0 CDAERP CCC[NH2+]CCC1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001714291540 1179069136 /nfs/dbraw/zinc/06/91/36/1179069136.db2.gz VOGCGPIGJGRGQS-UHFFFAOYSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001714390575 1179120016 /nfs/dbraw/zinc/12/00/16/1179120016.db2.gz GUMFTYXRFHQOLO-RBSFLKMASA-N 2 0 281.444 1.635 10 0 CDAERP CN(CC[NH2+]C[C@@H]1CCC(F)(F)C1)C(=O)CC[NH+](C)C ZINC001714751687 1179375898 /nfs/dbraw/zinc/37/58/98/1179375898.db2.gz IUDRXXVVKCUNOJ-GFCCVEGCSA-N 2 0 291.386 1.422 10 0 CDAERP CC[NH2+][C@H](CC)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001715075867 1179541931 /nfs/dbraw/zinc/54/19/31/1179541931.db2.gz PPQOGBIWXFATJA-ZIAGYGMSSA-N 2 0 269.433 1.755 10 0 CDAERP C[C@@](C[NH2+]C/C=C/Cl)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001715121742 1179558844 /nfs/dbraw/zinc/55/88/44/1179558844.db2.gz BWCKFMWVEKZGIL-SZTZYQKNSA-N 2 0 299.846 1.709 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCCF)CC1 ZINC001715182523 1179571001 /nfs/dbraw/zinc/57/10/01/1179571001.db2.gz JSGQKLOTYYUOCC-KKUMJFAQSA-N 2 0 299.434 1.847 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001715266997 1179602026 /nfs/dbraw/zinc/60/20/26/1179602026.db2.gz CURVJDVTQPPIEQ-OLZOCXBDSA-N 2 0 285.407 1.172 10 0 CDAERP CCOCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001715351334 1179638527 /nfs/dbraw/zinc/63/85/27/1179638527.db2.gz CTMJMMXUBUDEHJ-KKUMJFAQSA-N 2 0 299.459 1.190 10 0 CDAERP CCN(CC[NH2+]CC(C)C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001715756752 1179793068 /nfs/dbraw/zinc/79/30/68/1179793068.db2.gz IITVIYKTKNJREV-AWEZNQCLSA-N 2 0 269.433 1.422 10 0 CDAERP CC(C)CC[NH2+]C/C=C\CNC(=O)C12CCC[NH+]1CCC2 ZINC001715835584 1179858801 /nfs/dbraw/zinc/85/88/01/1179858801.db2.gz BHATYULGAZDGDN-ARJAWSKDSA-N 2 0 293.455 1.923 10 0 CDAERP CC(C)OCC[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001715834661 1179859517 /nfs/dbraw/zinc/85/95/17/1179859517.db2.gz MUIFLMDNWZKURI-IYKSTZQJSA-N 2 0 297.443 1.158 10 0 CDAERP CC(C)C[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001715870232 1179885910 /nfs/dbraw/zinc/88/59/10/1179885910.db2.gz VSERGSOZZGRODU-LUNKNMTDSA-N 2 0 281.444 1.635 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC/C=C/C[NH2+]C[C@H]1CCCCO1 ZINC001715913048 1179910152 /nfs/dbraw/zinc/91/01/52/1179910152.db2.gz MZRFVOCNEOUGFO-LLYBFZRZSA-N 2 0 297.443 1.158 10 0 CDAERP CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001715931064 1179924249 /nfs/dbraw/zinc/92/42/49/1179924249.db2.gz AHZNNQFHKJKZRG-OCCSQVGLSA-N 2 0 267.417 1.508 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCC1CC1)C1CC1 ZINC001716606963 1180301727 /nfs/dbraw/zinc/30/17/27/1180301727.db2.gz ZIBMKKXUWDSHFK-CABCVRRESA-N 2 0 279.428 1.365 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C[NH2+]CCCF)C2CC2)CC[N@@H+]1C ZINC001716611033 1180305085 /nfs/dbraw/zinc/30/50/85/1180305085.db2.gz BGROYMKUUSHPMF-RRFJBIMHSA-N 2 0 299.434 1.561 10 0 CDAERP CC(C)[C@@H](C(=O)NCC1([NH2+]CCCF)CC1)[NH+](C)C ZINC001716684200 1180368282 /nfs/dbraw/zinc/36/82/82/1180368282.db2.gz HADQUCFXSVUSEP-LBPRGKRZSA-N 2 0 273.396 1.171 10 0 CDAERP CCC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001716691845 1180373146 /nfs/dbraw/zinc/37/31/46/1180373146.db2.gz WIYFDZVWQPVTAJ-STQMWFEESA-N 2 0 267.417 1.365 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCCF ZINC001716774283 1180409347 /nfs/dbraw/zinc/40/93/47/1180409347.db2.gz IBEHNWYBNJILOW-STQMWFEESA-N 2 0 271.380 1.021 10 0 CDAERP CC(C)C[NH2+][C@H](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001716968839 1180485515 /nfs/dbraw/zinc/48/55/15/1180485515.db2.gz GBCHXHGWHGHPDV-KGLIPLIRSA-N 2 0 269.433 1.421 10 0 CDAERP CC(C)OCCC[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001717285802 1180604405 /nfs/dbraw/zinc/60/44/05/1180604405.db2.gz KCPQDWGURPRMQX-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C1C[NH+](CC)C1)[NH+](CC)CC ZINC001717555444 1180738892 /nfs/dbraw/zinc/73/88/92/1180738892.db2.gz AKOGRILCDZTKIT-GXTWGEPZSA-N 2 0 269.433 1.563 10 0 CDAERP CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001724654082 1181716914 /nfs/dbraw/zinc/71/69/14/1181716914.db2.gz IXZLTINYKCFFHX-ZIAGYGMSSA-N 2 0 267.417 1.413 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CCC1 ZINC001724785982 1181753281 /nfs/dbraw/zinc/75/32/81/1181753281.db2.gz LSQRQCJAGXWXFL-OAHLLOKOSA-N 2 0 293.455 1.757 10 0 CDAERP C[N@H+](CC(=O)N[C@H]1C[C@H](C[NH2+]CCC2CC2)C1)C1CCC1 ZINC001725360034 1181972220 /nfs/dbraw/zinc/97/22/20/1181972220.db2.gz KSEQOUNJEWONEA-SHTZXODSSA-N 2 0 293.455 1.755 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCCCCF)C2)C1 ZINC001725370911 1181977547 /nfs/dbraw/zinc/97/75/47/1181977547.db2.gz AWAJMCMBSPFCMA-KKUMJFAQSA-N 2 0 299.434 1.562 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001731319088 1182315877 /nfs/dbraw/zinc/31/58/77/1182315877.db2.gz AMJCSGDBCBWUDY-GJZGRUSLSA-N 2 0 281.444 1.851 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001731452794 1182395731 /nfs/dbraw/zinc/39/57/31/1182395731.db2.gz SYYWLFLJCHWMRB-JOCQHMNTSA-N 2 0 253.390 1.141 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001731791433 1182583386 /nfs/dbraw/zinc/58/33/86/1182583386.db2.gz CRHDMPDUOXVOQB-KGLIPLIRSA-N 2 0 269.433 1.422 10 0 CDAERP CCOCC[N@H+](CC)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001731807125 1182597055 /nfs/dbraw/zinc/59/70/55/1182597055.db2.gz NFSNSAWQAKROBS-UHFFFAOYSA-N 2 0 297.443 1.089 10 0 CDAERP CC[N@H+](CCNC(=O)CC[NH+](C)C)CC1CCC1 ZINC001731809507 1182598635 /nfs/dbraw/zinc/59/86/35/1182598635.db2.gz KBCDMSXUPXACPP-UHFFFAOYSA-N 2 0 255.406 1.176 10 0 CDAERP CC[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC=C(C)C ZINC001732210023 1182858247 /nfs/dbraw/zinc/85/82/47/1182858247.db2.gz DUWYHYPFDAMJNM-GJZGRUSLSA-N 2 0 281.444 1.779 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NC2(C[NH2+]CCCF)CCCC2)C1 ZINC001732237395 1182875332 /nfs/dbraw/zinc/87/53/32/1182875332.db2.gz JCXMBQQQEYONPZ-ZDUSSCGKSA-N 2 0 285.407 1.316 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCCF)CC2)C1 ZINC001732313041 1182903285 /nfs/dbraw/zinc/90/32/85/1182903285.db2.gz JIGSXJWLRVHWHB-IHRRRGAJSA-N 2 0 285.407 1.315 10 0 CDAERP C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@@H]1C[NH2+]CCF ZINC001732549192 1183004186 /nfs/dbraw/zinc/00/41/86/1183004186.db2.gz VDUYYYGCODTXET-ZIAGYGMSSA-N 2 0 285.407 1.268 10 0 CDAERP CC(C)C[NH2+]C/C=C\CNC(=O)CC[NH+]1CCCCC1 ZINC001732938729 1183191900 /nfs/dbraw/zinc/19/19/00/1183191900.db2.gz DXEVKQOBURYIQC-PLNGDYQASA-N 2 0 281.444 1.780 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CCF)C2CC2)CC1 ZINC001733185990 1183323118 /nfs/dbraw/zinc/32/31/18/1183323118.db2.gz BMOJFGOVPPWEPV-HNNXBMFYSA-N 2 0 299.434 1.561 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@H](CC[NH2+]CC2CC2)C1 ZINC001733675339 1183494466 /nfs/dbraw/zinc/49/44/66/1183494466.db2.gz ZYYGOLMCYVVKJQ-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)[NH+](C)CC)C1 ZINC001734050814 1183635600 /nfs/dbraw/zinc/63/56/00/1183635600.db2.gz HRFXVFRFEMIJMU-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C[NH2+]CCF)C1CC1 ZINC001734307624 1183722325 /nfs/dbraw/zinc/72/23/25/1183722325.db2.gz AZAHWNWSHXRMEA-ZDUSSCGKSA-N 2 0 273.396 1.123 10 0 CDAERP CCCCC[NH2+][C@@H](C)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001734351783 1183743925 /nfs/dbraw/zinc/74/39/25/1183743925.db2.gz UAULXVXUHGSNMO-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[N@H+]1CC=C(CNC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001734625586 1183851217 /nfs/dbraw/zinc/85/12/17/1183851217.db2.gz KUNNQSILKGFWTL-OAHLLOKOSA-N 2 0 299.434 1.825 10 0 CDAERP C[C@@H]([NH2+][C@H]1CC[C@@H](C)C[C@H]1n1cncn1)[C@H](C)[NH3+] ZINC000423463168 1186727666 /nfs/dbraw/zinc/72/76/66/1186727666.db2.gz LFCSBRFKJWDJBB-RXGFPQBGSA-N 2 0 251.378 1.333 10 0 CDAERP [NH3+]Cc1ccccc1CNC(=O)C1([NH2+]C2CC2)CCC1 ZINC001771780817 1186870668 /nfs/dbraw/zinc/87/06/68/1186870668.db2.gz GFEOVIBXICRYAI-UHFFFAOYSA-N 2 0 273.380 1.436 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CCN(CC(=O)NC2CCCC2)C1 ZINC000866704460 1164812089 /nfs/dbraw/zinc/81/20/89/1164812089.db2.gz UPMKHQROOJYPAT-MRXNPFEDSA-N 2 0 281.444 1.742 10 0 CDAERP C(C[NH2+]C1CC1)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000923358873 751379415 /nfs/dbraw/zinc/37/94/15/751379415.db2.gz MBDJFNLQHIXBRX-GJZGRUSLSA-N 3 0 265.445 1.840 10 0 CDAERP CNC(=O)CCC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925599595 751396600 /nfs/dbraw/zinc/39/66/00/751396600.db2.gz CAQMHQIQGNZALU-KGLIPLIRSA-N 2 0 267.417 1.271 10 0 CDAERP [NH2+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NC1CCCCC1 ZINC000052047345 751445814 /nfs/dbraw/zinc/44/58/14/751445814.db2.gz PAFYOGDJEBNLKE-LBPRGKRZSA-N 2 0 264.417 1.917 10 0 CDAERP CC(C)C1CC([NH2+]C[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000232551260 751456635 /nfs/dbraw/zinc/45/66/35/751456635.db2.gz ZRTNXUCPZTTYCW-CVSAEHQPSA-N 2 0 252.402 1.874 10 0 CDAERP C[C@H](Cc1cnccn1)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925842672 751581735 /nfs/dbraw/zinc/58/17/35/751581735.db2.gz BIIJGFSCUQSTFK-OAHLLOKOSA-N 2 0 291.443 1.073 10 0 CDAERP CCC[NH+]1CCC(CNC2=[NH+]CCCN2C)CC1 ZINC000848996319 751762099 /nfs/dbraw/zinc/76/20/99/751762099.db2.gz TWWFOUDKLGAGOJ-UHFFFAOYSA-N 2 0 252.406 1.390 10 0 CDAERP CCC(=CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)CC ZINC000870020238 1165133440 /nfs/dbraw/zinc/13/34/40/1165133440.db2.gz JFRWTNYDOKCBJD-HZPDHXFCSA-N 2 0 295.471 1.931 10 0 CDAERP C[C@H](O)C[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925636645 751804537 /nfs/dbraw/zinc/80/45/37/751804537.db2.gz ZGVANNNHLXEIFP-JURCDPSOSA-N 2 0 254.418 1.904 10 0 CDAERP CC[C@@H](c1ccc(F)cc1F)N1CC[NH2+]CC[NH2+]CC1 ZINC000923461990 751814698 /nfs/dbraw/zinc/81/46/98/751814698.db2.gz ZPHBALVTNOGCQO-HNNXBMFYSA-N 2 0 283.366 1.911 10 0 CDAERP C[C@H]1CCC[N@H+](CCc2ccc(C(N)=O)cc2)[C@H]1CC[NH3+] ZINC000866667606 751857208 /nfs/dbraw/zinc/85/72/08/751857208.db2.gz RYOWUVXRQMAQRS-BBRMVZONSA-N 2 0 289.423 1.777 10 0 CDAERP CC(C)C[C@H](CCO)C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925527648 751857539 /nfs/dbraw/zinc/85/75/39/751857539.db2.gz PHNVUXHLSCYJQZ-IHRRRGAJSA-N 2 0 254.418 1.891 10 0 CDAERP C1C[C@H]2C[C@H]([NH2+][C@H]3CCCC[NH2+]C3)CC[C@@H]2CO1 ZINC000925709232 751877232 /nfs/dbraw/zinc/87/72/32/751877232.db2.gz VASLAVPFRSWTNA-YJNKXOJESA-N 2 0 252.402 1.923 10 0 CDAERP C[C@@H]1C[N@@H+]([C@H](C(=O)N(C)C)c2ccccc2)CC[C@@H]1C[NH3+] ZINC000923498258 751882123 /nfs/dbraw/zinc/88/21/23/751882123.db2.gz GVXUPMHYMTXXHA-BMFZPTHFSA-N 2 0 289.423 1.733 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)C[C@@H](O)c1ccc(F)cc1F ZINC000923403056 751888230 /nfs/dbraw/zinc/88/82/30/751888230.db2.gz MYVDPBUSVIITAP-CQSZACIVSA-N 2 0 288.338 1.166 10 0 CDAERP C[N@@H+](Cc1ccccc1F)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923297190 751909671 /nfs/dbraw/zinc/90/96/71/751909671.db2.gz GWXXCZXUHSKDIZ-ZDUSSCGKSA-N 2 0 264.344 1.636 10 0 CDAERP C[NH+](C)CC1(O)CC[NH+](CCc2ccns2)CC1 ZINC000719863333 751978694 /nfs/dbraw/zinc/97/86/94/751978694.db2.gz AOMNLGSQOAPVNB-UHFFFAOYSA-N 2 0 269.414 1.074 10 0 CDAERP FC(F)(F)COCC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000261930842 752013679 /nfs/dbraw/zinc/01/36/79/752013679.db2.gz LQAYNXGHUXGRFX-IJLUTSLNSA-N 2 0 296.333 1.312 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713360072 752015453 /nfs/dbraw/zinc/01/54/53/752015453.db2.gz CSODRRCKFWRSAY-OSFYFWSMSA-N 2 0 267.417 1.206 10 0 CDAERP CC[C@H](C[C@](C)(O)CC)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000925216982 752029293 /nfs/dbraw/zinc/02/92/93/752029293.db2.gz VDNALBIEQWXOTM-NVXWUHKLSA-N 2 0 299.503 1.932 10 0 CDAERP Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923492375 752055280 /nfs/dbraw/zinc/05/52/80/752055280.db2.gz NZJASVOUUOANAX-HRCADAONSA-N 2 0 292.423 1.651 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000863543918 752069884 /nfs/dbraw/zinc/06/98/84/752069884.db2.gz GSGKDJUJEGOLAP-QWRGUYRKSA-N 2 0 268.323 1.933 10 0 CDAERP CC(C)[C@H]([NH3+])CC[N@H+](C)CCc1ccc(C(N)=O)cc1 ZINC000866660428 752072798 /nfs/dbraw/zinc/07/27/98/752072798.db2.gz FNNYCASHWGNYTB-OAHLLOKOSA-N 2 0 277.412 1.633 10 0 CDAERP COC(=O)C1=CC[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000858471975 752083779 /nfs/dbraw/zinc/08/37/79/752083779.db2.gz FMCROISJTWJCSS-HNNXBMFYSA-N 2 0 278.396 1.712 10 0 CDAERP [NH3+]C[C@H]1CC[C@H](CNC(=O)CCC23CC(C2)C[NH2+]3)CC1 ZINC000870943822 752180455 /nfs/dbraw/zinc/18/04/55/752180455.db2.gz WHOUAZQVUAMZBH-MLCUULIWSA-N 2 0 279.428 1.400 10 0 CDAERP COc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)cc1C#N ZINC000314340300 752285260 /nfs/dbraw/zinc/28/52/60/752285260.db2.gz OWAOZNBFEQJEEG-GOEBONIOSA-N 2 0 285.391 1.950 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@]1(O)CCc2ccccc21 ZINC000925611901 749368594 /nfs/dbraw/zinc/36/85/94/749368594.db2.gz PXVPSIMVLMSYJJ-HLVPYZJISA-N 2 0 286.419 1.750 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000866709342 749378872 /nfs/dbraw/zinc/37/88/72/749378872.db2.gz WMCGZSAAGPNJHO-UKRRQHHQSA-N 3 0 253.434 1.683 10 0 CDAERP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCCS(=O)(=O)C2)C[C@@H]([NH3+])C1 ZINC000925670950 749391844 /nfs/dbraw/zinc/39/18/44/749391844.db2.gz BEBUTYVTNIIUOV-XQQFMLRXSA-N 2 0 288.457 1.307 10 0 CDAERP COC1CC(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000925714771 749445874 /nfs/dbraw/zinc/44/58/74/749445874.db2.gz WKKXFSWTVMQSBC-MJOYPGEDSA-N 2 0 250.386 1.388 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1C[C@H](C)n2ncnc21 ZINC000926686533 749469650 /nfs/dbraw/zinc/46/96/50/749469650.db2.gz QCLRIDQETPXYDI-IHRRRGAJSA-N 2 0 294.447 1.146 10 0 CDAERP C[C@@H]1[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCN1C ZINC000719599390 749534084 /nfs/dbraw/zinc/53/40/84/749534084.db2.gz LAARNFGJMIFPRS-CZUORRHYSA-N 2 0 274.412 1.733 10 0 CDAERP CC(C)([NH3+])c1noc(CN2CC[C@H]3CSC[C@H]3C2)n1 ZINC000866704886 749542788 /nfs/dbraw/zinc/54/27/88/749542788.db2.gz ZQOIHSHLUWMTGZ-VHSXEESVSA-N 2 0 282.413 1.448 10 0 CDAERP CC(C)NC(=O)[C@@H]1CCC[N@H+](CCCCCC[NH3+])C1 ZINC000852761050 749574239 /nfs/dbraw/zinc/57/42/39/749574239.db2.gz PQUJZTJVYSPYMG-CQSZACIVSA-N 2 0 269.433 1.742 10 0 CDAERP C[NH+](C)CCCC[NH2+]Cc1cccc2[nH]c(=O)oc21 ZINC000921616258 749586518 /nfs/dbraw/zinc/58/65/18/749586518.db2.gz DVRSOOJZDSEMCH-UHFFFAOYSA-N 2 0 263.341 1.965 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CC1([C@H](O)c2ccccc2)CC1 ZINC000817916200 749589800 /nfs/dbraw/zinc/58/98/00/749589800.db2.gz BMBBZYPWFLJOSE-JKSUJKDBSA-N 2 0 292.423 1.844 10 0 CDAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](C[C@@H]1CCC3(CCC3)O1)CC2 ZINC000923445657 749622624 /nfs/dbraw/zinc/62/26/24/749622624.db2.gz KVJHSVWKKALAAC-LSDHHAIUSA-N 2 0 294.439 1.918 10 0 CDAERP CC(C)[C@H](C[NH2+]CC1(O)CCCCC1)N1CC[NH+](C)CC1 ZINC000819062430 749642721 /nfs/dbraw/zinc/64/27/21/749642721.db2.gz PSZKGEXXOWNTDG-INIZCTEOSA-N 2 0 297.487 1.543 10 0 CDAERP C[N@@H+]1CCC[C@H](CN[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925557561 749711506 /nfs/dbraw/zinc/71/15/06/749711506.db2.gz PKUCWLAGWQASGB-MGPQQGTHSA-N 2 0 253.434 1.824 10 0 CDAERP CC[C@@H]1CCN(C(=[NH2+])NC[C@@H]2CCC[N@@H+]2CCOC)C1 ZINC000864456528 749740099 /nfs/dbraw/zinc/74/00/99/749740099.db2.gz IDRLHNWICPVCIB-KGLIPLIRSA-N 2 0 282.432 1.353 10 0 CDAERP CC[C@@H](C[C@@H](C)O)[NH2+]Cc1ncc(CN(C)C)s1 ZINC000865874062 749802471 /nfs/dbraw/zinc/80/24/71/749802471.db2.gz QGFVGTMULWADSE-MNOVXSKESA-N 2 0 271.430 1.844 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC1CCC([NH3+])CC1 ZINC000713042833 749819873 /nfs/dbraw/zinc/81/98/73/749819873.db2.gz KFODWCHNGYCJFI-MCIGGMRASA-N 2 0 255.406 1.382 10 0 CDAERP C[C@@H](CNC(=O)CCC12CC(C1)C[NH2+]2)C[NH+]1CCCCC1 ZINC000870870439 749837393 /nfs/dbraw/zinc/83/73/93/749837393.db2.gz VWXPFSKWHKYFNX-UQPPLGOBSA-N 2 0 293.455 1.757 10 0 CDAERP CCCCNC(=S)NCCN(C)CCC[NH+](C)C ZINC000849280192 749850625 /nfs/dbraw/zinc/85/06/25/749850625.db2.gz QFCGPNJCOXFDFX-UHFFFAOYSA-N 2 0 274.478 1.134 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000233450178 749859993 /nfs/dbraw/zinc/85/99/93/749859993.db2.gz JKZCPCRHOFCILJ-KGLIPLIRSA-N 2 0 281.444 1.707 10 0 CDAERP CC(=O)N1CCC[C@@H](C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000925662451 749870357 /nfs/dbraw/zinc/87/03/57/749870357.db2.gz IHBMCJYIGRGVSW-FZKCQIBNSA-N 2 0 293.455 1.611 10 0 CDAERP CSC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000923391948 749889008 /nfs/dbraw/zinc/88/90/08/749889008.db2.gz HCKKOQBMKXEWGB-AAVRWANBSA-N 2 0 288.457 1.071 10 0 CDAERP C[C@@H](Cn1ccnc1)[NH2+]C[C@H](O)c1cc(F)ccc1F ZINC000049235220 749909911 /nfs/dbraw/zinc/90/99/11/749909911.db2.gz OSCAKXAQNQUJMV-HZMBPMFUSA-N 2 0 281.306 1.873 10 0 CDAERP C[C@@H]1CN(Cc2noc(C(C)(C)C)n2)C[C@H]1CC[NH3+] ZINC000723893588 749967100 /nfs/dbraw/zinc/96/71/00/749967100.db2.gz CASXYSJYPNQBJH-GHMZBOCLSA-N 2 0 266.389 1.784 10 0 CDAERP COC(=O)c1ccc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000923500029 749969671 /nfs/dbraw/zinc/96/96/71/749969671.db2.gz UJLGDLYNYZUBRJ-SWLSCSKDSA-N 2 0 276.380 1.890 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000715573390 750027190 /nfs/dbraw/zinc/02/71/90/750027190.db2.gz VFXINFDHRUOROG-FQLMCAECSA-N 2 0 279.428 1.365 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NC[C@@H]2CCC[N@@H+]2C)C1 ZINC000175999007 750127145 /nfs/dbraw/zinc/12/71/45/750127145.db2.gz ZHWPKOJGNYHSIZ-RDBSUJKOSA-N 2 0 282.432 1.253 10 0 CDAERP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cccnc1-n1ccnc1 ZINC000817898208 750235255 /nfs/dbraw/zinc/23/52/55/750235255.db2.gz FVWQRMGVSUBFBW-HIFRSBDPSA-N 2 0 285.395 1.874 10 0 CDAERP C[C@H](CC[NH2+]C[C@H](O)CC(C)(C)O)[NH+]1CCCCC1 ZINC000872206117 750250192 /nfs/dbraw/zinc/25/01/92/750250192.db2.gz OKXPWJNYIFZQNN-ZIAGYGMSSA-N 2 0 272.433 1.362 10 0 CDAERP CCN(C(=O)NCC[NH+](CC)C(C)C)[C@@H]1CC[N@H+](C)C1 ZINC000853641468 750423958 /nfs/dbraw/zinc/42/39/58/750423958.db2.gz NDJXFARZWMJJBY-CQSZACIVSA-N 2 0 284.448 1.452 10 0 CDAERP COC/C(C)=C\C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000930575760 750455037 /nfs/dbraw/zinc/45/50/37/750455037.db2.gz DMPFPYHNBTULNQ-NUKWSGDCSA-N 2 0 252.402 1.997 10 0 CDAERP C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)[C@H]1CCC[NH2+]1 ZINC000715573363 750459707 /nfs/dbraw/zinc/45/97/07/750459707.db2.gz QFJAMSCRIITDTR-FGZQJIAISA-N 3 0 253.434 1.979 10 0 CDAERP C[N@@H+]1CCCN(CCC[NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)CC1 ZINC000924965248 750494124 /nfs/dbraw/zinc/49/41/24/750494124.db2.gz IAHUMKJLHLPYLA-BBWFWOEESA-N 2 0 277.456 1.958 10 0 CDAERP COC(=O)c1sccc1C[NH2+]CCCC[NH+](C)C ZINC000386229882 750592157 /nfs/dbraw/zinc/59/21/57/750592157.db2.gz PRJVGIXZSOUZIE-UHFFFAOYSA-N 2 0 270.398 1.966 10 0 CDAERP FC(F)(F)[C@@H]1CC[C@@H](C[NH2+][C@H]2CCC[NH2+]CC2)O1 ZINC000722392650 750630101 /nfs/dbraw/zinc/63/01/01/750630101.db2.gz WHIRVCXKQKIGHK-DCAQKATOSA-N 2 0 266.307 1.828 10 0 CDAERP CC/C=C\CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875635782 750657579 /nfs/dbraw/zinc/65/75/79/750657579.db2.gz GXLBBVJAVHGFRZ-AZJURWTESA-N 2 0 296.459 1.333 10 0 CDAERP C[C@H](CN1CCOCC1)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925549394 750706350 /nfs/dbraw/zinc/70/63/50/750706350.db2.gz GVZYPVJZKQXEML-RDBSUJKOSA-N 2 0 269.433 1.203 10 0 CDAERP Cc1nc(F)ccc1C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000850354314 750711481 /nfs/dbraw/zinc/71/14/81/750711481.db2.gz YQUGDACTRVSMGU-ZDUSSCGKSA-N 2 0 296.434 1.891 10 0 CDAERP C[NH+](C)CC1CC[NH+](CN2C[C@@H]3CCC[C@@H]3C2=O)CC1 ZINC000839998171 750736447 /nfs/dbraw/zinc/73/64/47/750736447.db2.gz HBWLXUGASBYLBU-GJZGRUSLSA-N 2 0 279.428 1.476 10 0 CDAERP CCC[N@H+](C[C@H]1CCCCO1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923311582 750740325 /nfs/dbraw/zinc/74/03/25/750740325.db2.gz PICUOZUPEFXJTG-CRWXNKLISA-N 2 0 256.390 1.118 10 0 CDAERP Cc1nccn1C[C@@H]1CCC[N@H+]1CN1C[C@H](C)CC1=O ZINC000176080903 750809417 /nfs/dbraw/zinc/80/94/17/750809417.db2.gz JRGXIQQHYFGLOE-OCCSQVGLSA-N 2 0 276.384 1.482 10 0 CDAERP [NH3+][C@H](CC1CC1)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000312470569 750826271 /nfs/dbraw/zinc/82/62/71/750826271.db2.gz AFTBUWXHYIAVCC-OAHLLOKOSA-N 2 0 279.428 1.448 10 0 CDAERP COCC[N@H+](C)CCC[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000921522998 750830533 /nfs/dbraw/zinc/83/05/33/750830533.db2.gz CWSCBXCYJHXJIZ-BZUAXINKSA-N 2 0 284.444 1.750 10 0 CDAERP CCC[C@@H](C)NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000708140234 750841558 /nfs/dbraw/zinc/84/15/58/750841558.db2.gz HBSQUCZGBLGERX-FVCCEPFGSA-N 2 0 255.406 1.206 10 0 CDAERP O=C(CCC12CC(C1)C[NH2+]2)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000870919834 750861582 /nfs/dbraw/zinc/86/15/82/750861582.db2.gz JGOIWWOIWWUVOZ-VEAWUBTESA-N 2 0 277.412 1.119 10 0 CDAERP CC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)OCCCO1 ZINC000843341038 750878828 /nfs/dbraw/zinc/87/88/28/750878828.db2.gz YCXMXQMURKDAHB-YNEHKIRRSA-N 2 0 254.374 1.117 10 0 CDAERP Cn1nnc2c1C[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)CC2 ZINC000925892932 750915240 /nfs/dbraw/zinc/91/52/40/750915240.db2.gz IABSNJWAKROUOQ-YIYPIFLZSA-N 2 0 289.427 1.183 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)C1 ZINC000925768164 751003605 /nfs/dbraw/zinc/00/36/05/751003605.db2.gz IQPGCJJEHQJISC-DDHJBXDOSA-N 2 0 274.430 1.058 10 0 CDAERP C[N@H+](CCCNC(=[NH2+])NC1CC1)C1CCCCC1 ZINC000052042666 751016933 /nfs/dbraw/zinc/01/69/33/751016933.db2.gz CKJRQPSOTIEJRM-UHFFFAOYSA-N 2 0 252.406 1.917 10 0 CDAERP CN(C[C@@H](O)C[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F)C1CC1 ZINC000879672655 751058112 /nfs/dbraw/zinc/05/81/12/751058112.db2.gz RGUYKRKGTGTLPF-YNEHKIRRSA-N 2 0 292.345 1.928 10 0 CDAERP CC1(C)[C@@H]([NH2+]CC2(N3CCOCC3)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925653354 751083204 /nfs/dbraw/zinc/08/32/04/751083204.db2.gz XHKSNHDHZWNWAE-ILXRZTDVSA-N 2 0 293.455 1.217 10 0 CDAERP CC1(C)CC[NH2+]CCN1C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000872299970 751083669 /nfs/dbraw/zinc/08/36/69/751083669.db2.gz FRHCUAAUUVDWOO-HAQNSBGRSA-N 2 0 253.390 1.104 10 0 CDAERP C[NH+](C)C1(C)CCC(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000871360154 751102781 /nfs/dbraw/zinc/10/27/81/751102781.db2.gz JWAJBMCZJKPZIM-GNHJJJEISA-N 2 0 293.455 1.992 10 0 CDAERP C[C@@H]([NH3+])C[C@H](C)[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC000925827472 751125558 /nfs/dbraw/zinc/12/55/58/751125558.db2.gz UHERFXDETJMQTG-NEPJUHHUSA-N 2 0 256.390 1.024 10 0 CDAERP C(CNC1=[NH+]CCCCN1)C[NH+]1CCCCCC1 ZINC000849215124 751181470 /nfs/dbraw/zinc/18/14/70/751181470.db2.gz PBZQNRVXVKFLCU-UHFFFAOYSA-N 2 0 252.406 1.582 10 0 CDAERP C[N@H+](CCC1CCOCC1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923314145 751325596 /nfs/dbraw/zinc/32/55/96/751325596.db2.gz QMEDFPYEXRKPAR-CQSZACIVSA-N 2 0 268.401 1.113 10 0 CDAERP COCCN(C)CC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925575958 751333818 /nfs/dbraw/zinc/33/38/18/751333818.db2.gz HWAYCKAVUKPRAH-CVEARBPZSA-N 2 0 283.460 1.323 10 0 CDAERP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C=C2CC[NH2+]CC2)C1 ZINC000852884130 752341150 /nfs/dbraw/zinc/34/11/50/752341150.db2.gz FNBJZAZDUFXGSM-GJZGRUSLSA-N 2 0 277.412 1.239 10 0 CDAERP C[NH+](C)CC[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)c1cccnc1 ZINC000928827362 752382175 /nfs/dbraw/zinc/38/21/75/752382175.db2.gz AUBPRGOKZCCHEM-CABCVRRESA-N 2 0 290.411 1.285 10 0 CDAERP C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000923398656 752740619 /nfs/dbraw/zinc/74/06/19/752740619.db2.gz LBVWUXCRMOCQJT-DKUMPPAJSA-N 3 0 263.429 1.781 10 0 CDAERP [NH3+][C@@H]1C[C@@H](N[C@H]2CC(=O)N(CC3CC3)C2)c2ccccc21 ZINC000925772957 752760498 /nfs/dbraw/zinc/76/04/98/752760498.db2.gz VPDCQTHCMPZNOH-APHBMKBZSA-N 2 0 285.391 1.732 10 0 CDAERP CC(C)(C)C[N@H+](CCCO)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923311226 752810143 /nfs/dbraw/zinc/81/01/43/752810143.db2.gz IJZUBZNZPNQTCA-ZDUSSCGKSA-N 2 0 270.417 1.095 10 0 CDAERP CC1(C)CC[C@H](C[NH2+]C[C@@H](O)C[NH+]2CCCC2)OC1 ZINC000711312410 752907909 /nfs/dbraw/zinc/90/79/09/752907909.db2.gz VRWBIGQKDPOVKJ-ZIAGYGMSSA-N 2 0 270.417 1.238 10 0 CDAERP CO[C@]1(C[NH2+][C@H](C)C2CC[NH+](C)CC2)CCSC1 ZINC000719232576 752923172 /nfs/dbraw/zinc/92/31/72/752923172.db2.gz ZLTUGGHNJKRGBV-OCCSQVGLSA-N 2 0 272.458 1.828 10 0 CDAERP COC(=O)[C@@]1(F)CC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923390263 752956777 /nfs/dbraw/zinc/95/67/77/752956777.db2.gz VCEYKBAXKYMELZ-VYHDIPPYSA-N 2 0 284.375 1.494 10 0 CDAERP [NH3+]C[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@@H]1C(F)(F)F ZINC000720837811 752967212 /nfs/dbraw/zinc/96/72/12/752967212.db2.gz HGWHCGLNOFQGSD-MXWKQRLJSA-N 2 0 266.307 1.625 10 0 CDAERP C[N@H+](CCN1CC[NH2+]CC1)C[C@@H]1CCCC(C)(C)O1 ZINC000714379637 753002581 /nfs/dbraw/zinc/00/25/81/753002581.db2.gz ABJBRVKWTBFWNQ-AWEZNQCLSA-N 2 0 269.433 1.171 10 0 CDAERP CC1(C)C[C@@H]([NH2+]CCCN2CCCCC2=O)C[C@@H]([NH3+])C1 ZINC000925549991 753006340 /nfs/dbraw/zinc/00/63/40/753006340.db2.gz OSBJJZSYTGTYSH-KGLIPLIRSA-N 2 0 281.444 1.885 10 0 CDAERP C[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1ccc(F)cn1 ZINC000925844838 753055332 /nfs/dbraw/zinc/05/53/32/753055332.db2.gz MUUHGQIYJUZHCU-CQSZACIVSA-N 2 0 294.418 1.947 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000861602595 753073423 /nfs/dbraw/zinc/07/34/23/753073423.db2.gz LBUCZEPPXWNRLJ-RFQIPJPRSA-N 2 0 282.432 1.299 10 0 CDAERP O=C(CCC12CC(C1)C[NH2+]2)NCc1ccc2c(c1)C[NH2+]C2 ZINC000870940629 753083549 /nfs/dbraw/zinc/08/35/49/753083549.db2.gz MLAUYADQHXMWLO-UHFFFAOYSA-N 2 0 285.391 1.438 10 0 CDAERP CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923497190 753096512 /nfs/dbraw/zinc/09/65/12/753096512.db2.gz GVTHYHZEVXZPGD-AVGNSLFASA-N 2 0 255.406 1.208 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=[NH2+])N2CCCCCC2)C1 ZINC000849048585 753250467 /nfs/dbraw/zinc/25/04/67/753250467.db2.gz JGMCOOZQWJXADE-BETUJISGSA-N 2 0 252.406 1.727 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCCN3CCSC[C@@H]23)C12CCC2 ZINC000720476247 753300443 /nfs/dbraw/zinc/30/04/43/753300443.db2.gz PXWQAGZMPHOVID-RQJABVFESA-N 2 0 281.469 1.426 10 0 CDAERP CC1(C)[C@H]([NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925724364 753301858 /nfs/dbraw/zinc/30/18/58/753301858.db2.gz AHLGEWAZYLEAEN-WBKSAWNFSA-N 2 0 276.424 1.776 10 0 CDAERP O=C1O[C@H](C[NH2+][C@@H]2CC[C@@H]2C2CC2)CC12CC[NH2+]CC2 ZINC000925851876 753323555 /nfs/dbraw/zinc/32/35/55/753323555.db2.gz SVZMUGYAFPNIRO-BFHYXJOUSA-N 2 0 278.396 1.450 10 0 CDAERP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)[C@H]1CCC[NH2+]C1 ZINC000925696318 753325472 /nfs/dbraw/zinc/32/54/72/753325472.db2.gz ZEXIUOPFXMAULD-XDQVBPFNSA-N 3 0 253.434 1.870 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CN(C2CC2)C(=O)O1 ZINC000848721202 753329018 /nfs/dbraw/zinc/32/90/18/753329018.db2.gz JCKZPUXGNGDLQB-WCFLWFBJSA-N 2 0 267.373 1.077 10 0 CDAERP CC[C@H]1CCN(C(=[NH2+])NCCC[N@H+](C)C(C)C)C1 ZINC000864450652 753348154 /nfs/dbraw/zinc/34/81/54/753348154.db2.gz AWQLNTJYOOQPGX-ZDUSSCGKSA-N 2 0 254.422 1.973 10 0 CDAERP CC(C)OC(=O)N1CCC([NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000848719598 753458110 /nfs/dbraw/zinc/45/81/10/753458110.db2.gz LANUOSSWHSJAHA-OCCSQVGLSA-N 2 0 283.416 1.855 10 0 CDAERP CCCCCCNC(=O)CN1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000866716444 753545362 /nfs/dbraw/zinc/54/53/62/753545362.db2.gz OIYJMVJPELJZOO-HUUCEWRRSA-N 2 0 281.444 1.757 10 0 CDAERP C[NH+](C)C1(C)CCC([NH2+]C[C@H](O)Cn2cccn2)CC1 ZINC000715540888 753550583 /nfs/dbraw/zinc/55/05/83/753550583.db2.gz SVEXEDLDDDBGKO-SLTAFYQDSA-N 2 0 280.416 1.097 10 0 CDAERP CCOc1ccc(C[N@H+](C)C[C@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC000923297868 753566292 /nfs/dbraw/zinc/56/62/92/753566292.db2.gz FVMGETUSEPMWOC-MRXNPFEDSA-N 2 0 290.407 1.896 10 0 CDAERP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000862278080 753622791 /nfs/dbraw/zinc/62/27/91/753622791.db2.gz SITDBEMKCYQDMF-RYUDHWBXSA-N 2 0 275.387 1.646 10 0 CDAERP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925842722 753658796 /nfs/dbraw/zinc/65/87/96/753658796.db2.gz BVQYZLCNEBVTBW-JKSUJKDBSA-N 3 0 282.476 1.040 10 0 CDAERP CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000872144037 753698459 /nfs/dbraw/zinc/69/84/59/753698459.db2.gz AKMSSZHQIVCVBZ-RBZJEDDUSA-N 2 0 282.428 1.630 10 0 CDAERP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000923307606 753820392 /nfs/dbraw/zinc/82/03/92/753820392.db2.gz VWHJAIQQYTVQTK-RRFJBIMHSA-N 2 0 296.459 1.499 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001275039641 1166654757 /nfs/dbraw/zinc/65/47/57/1166654757.db2.gz VTPQOWADSWKKKX-CHWSQXEVSA-N 2 0 257.422 1.467 10 0 CDAERP CC[NH+]1CCC(C[NH2+]C[C@H]2CCCCN2C)CC1 ZINC000054243706 1166927183 /nfs/dbraw/zinc/92/71/83/1166927183.db2.gz GXPCZBWYNQQMQP-OAHLLOKOSA-N 2 0 253.434 1.792 10 0 CDAERP CC[N@H+](C)CCC(=O)N(CC[NH+](C)C(C)C)C(C)C ZINC001382502852 977293758 /nfs/dbraw/zinc/29/37/58/977293758.db2.gz PFIHKRRFILCGDO-UHFFFAOYSA-N 2 0 271.449 1.905 10 0 CDAERP CCCCC[NH2+][C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001567050592 1168044425 /nfs/dbraw/zinc/04/44/25/1168044425.db2.gz CZOPFNTWSXWERM-CYBMUJFWSA-N 2 0 269.433 1.613 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001567140406 1168046596 /nfs/dbraw/zinc/04/65/96/1168046596.db2.gz LIEUICSFRNFXIH-GJZGRUSLSA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@H]1CN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001565831514 1168179031 /nfs/dbraw/zinc/17/90/31/1168179031.db2.gz IKPRUWYLXHAKRK-HOTGVXAUSA-N 2 0 293.455 1.827 10 0 CDAERP CC[C@H](F)C[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001566516752 1168317306 /nfs/dbraw/zinc/31/73/06/1168317306.db2.gz WYRWBNGXQVSNQD-STQMWFEESA-N 2 0 273.396 1.124 10 0 CDAERP Cc1cncc(CC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)n1 ZINC001647284155 1168524303 /nfs/dbraw/zinc/52/43/03/1168524303.db2.gz QVIJIDPJNDTKJS-ARFHVFGLSA-N 2 0 290.411 1.074 10 0 CDAERP O=C(N[C@H]1CCC[C@H]1C[NH2+]CCF)C12CCC[NH+]1CCC2 ZINC001272280730 912617698 /nfs/dbraw/zinc/61/76/98/912617698.db2.gz MGGVNJDMGBEUAY-KBPBESRZSA-N 2 0 297.418 1.459 10 0 CDAERP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1CC([NH2+]CCCF)C1 ZINC001279229316 896100091 /nfs/dbraw/zinc/10/00/91/896100091.db2.gz MWVYJEWMJBSSIB-NRXISQOPSA-N 2 0 297.418 1.267 10 0 CDAERP CCCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001267041964 896621527 /nfs/dbraw/zinc/62/15/27/896621527.db2.gz UYSUXJRDBKUKRG-OWCLPIDISA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC[NH+](CC2CC2)C1 ZINC001267310211 897560025 /nfs/dbraw/zinc/56/00/25/897560025.db2.gz SRKKILYAJWJIRM-AWEZNQCLSA-N 2 0 267.417 1.175 10 0 CDAERP CN(CC[NH2+]Cc1cccnc1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001267392011 897851450 /nfs/dbraw/zinc/85/14/50/897851450.db2.gz YVSUGIWXBFWREU-OAHLLOKOSA-N 2 0 290.411 1.114 10 0 CDAERP CCCC[NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001267429268 897894023 /nfs/dbraw/zinc/89/40/23/897894023.db2.gz VNHJBTRCSXNXPU-CYBMUJFWSA-N 2 0 255.406 1.176 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)CC[NH2+]Cc1ncccc1C ZINC001567593738 1168879724 /nfs/dbraw/zinc/87/97/24/1168879724.db2.gz RIEOJNBJHZIZIF-UHFFFAOYSA-N 2 0 292.427 1.280 10 0 CDAERP CN(CC[NH2+]C/C=C/Cl)C(=O)CC[NH+]1CCCCC1 ZINC001267473675 898095700 /nfs/dbraw/zinc/09/57/00/898095700.db2.gz IHLZQCPUKPJXIZ-FNORWQNLSA-N 2 0 287.835 1.663 10 0 CDAERP C[NH+]1CCC(OCC(=O)OCCC[NH+]2CCCC2)CC1 ZINC000923789365 898698517 /nfs/dbraw/zinc/69/85/17/898698517.db2.gz VSCZEPSRYDVMCK-UHFFFAOYSA-N 2 0 284.400 1.126 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001481112972 898883122 /nfs/dbraw/zinc/88/31/22/898883122.db2.gz UWZALPGXMPHJKQ-KBPBESRZSA-N 2 0 267.417 1.176 10 0 CDAERP CC[C@H](C)C[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001481196672 899112399 /nfs/dbraw/zinc/11/23/99/899112399.db2.gz NJTROCJDPVDFCD-KBPBESRZSA-N 2 0 281.444 1.565 10 0 CDAERP CCC[NH2+]C[C@](C)(NC(=O)CC[NH+](C)C)C1CC1 ZINC001267858479 899884444 /nfs/dbraw/zinc/88/44/44/899884444.db2.gz RFBPZBOLEUZFQA-AWEZNQCLSA-N 2 0 255.406 1.223 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NCC[C@H]2CC[NH+](CCC3CC3)C2)C1 ZINC001481464359 900798761 /nfs/dbraw/zinc/79/87/61/900798761.db2.gz JXURLSJHMUTXDZ-HOTGVXAUSA-N 2 0 293.455 1.566 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccsc1 ZINC001481875314 902249495 /nfs/dbraw/zinc/24/94/95/902249495.db2.gz NCGMNAUFBXBANM-KGLIPLIRSA-N 2 0 295.452 1.684 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]([NH2+]CC)C(C)C)C1 ZINC001422115524 902298207 /nfs/dbraw/zinc/29/82/07/902298207.db2.gz CWNABNTYMLXMKF-GJZGRUSLSA-N 2 0 283.460 1.859 10 0 CDAERP O=C(CCn1ccnc1)N[C@H]1CC[C@H]([NH2+]CCCF)CC1 ZINC001482020083 902476580 /nfs/dbraw/zinc/47/65/80/902476580.db2.gz GFTBYGAPZZDMAK-HDJSIYSDSA-N 2 0 296.390 1.650 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC1CCCCC1 ZINC001268522441 902503135 /nfs/dbraw/zinc/50/31/35/902503135.db2.gz LGCZDBSPFHJGSD-SQRWCISFSA-N 2 0 293.455 1.923 10 0 CDAERP CC(C)[NH2+]C[C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001482100311 902644005 /nfs/dbraw/zinc/64/40/05/902644005.db2.gz CKLZHHXHAUAMGC-TZMCWYRMSA-N 2 0 267.417 1.079 10 0 CDAERP CC/C=C/CC[NH2+]C[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001268704566 902989338 /nfs/dbraw/zinc/98/93/38/902989338.db2.gz IUVLQDBKJIZODF-MUHKLVGJSA-N 2 0 281.444 1.779 10 0 CDAERP CCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001268731872 903050833 /nfs/dbraw/zinc/05/08/33/903050833.db2.gz RMBAEBVOBXZZFU-YNEHKIRRSA-N 2 0 255.406 1.173 10 0 CDAERP CC[NH2+]CCCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001268915348 903241265 /nfs/dbraw/zinc/24/12/65/903241265.db2.gz LFCNTLOVAWUJFC-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP C[NH+](C)C1(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CCCC1 ZINC001362166232 903277347 /nfs/dbraw/zinc/27/73/47/903277347.db2.gz WWIJTNSRDJNRFR-OAHLLOKOSA-N 2 0 293.455 1.948 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]CCCF)C1CC1 ZINC001269148921 903481439 /nfs/dbraw/zinc/48/14/39/903481439.db2.gz LYRPMPOMIQTEAJ-HUUCEWRRSA-N 2 0 299.434 1.705 10 0 CDAERP CCC[NH2+]C[C@@](C)(NC(=O)[C@H](CC)[NH+](C)C)C1CC1 ZINC001269634142 903997645 /nfs/dbraw/zinc/99/76/45/903997645.db2.gz LAQCTJKYRKJDEH-DZGCQCFKSA-N 2 0 269.433 1.611 10 0 CDAERP CC[NH2+]CC[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001269746657 904082481 /nfs/dbraw/zinc/08/24/81/904082481.db2.gz HIUAAAIEXPHVBD-OAHLLOKOSA-N 2 0 293.455 1.853 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001362874516 904119876 /nfs/dbraw/zinc/11/98/76/904119876.db2.gz QEJPGDHVDYMKRO-RBSFLKMASA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[C@H](C(=O)N1CCC[C@H]1C[NH2+]CCF)[NH+]1CCCC1 ZINC001270193526 904429845 /nfs/dbraw/zinc/42/98/45/904429845.db2.gz LFCDWHZFHSQSBF-LSDHHAIUSA-N 2 0 299.434 1.657 10 0 CDAERP C[C@@H]1[C@H](NC(=O)NCC2(C[NH+](C)C)CCCC2)CC[N@@H+]1C ZINC000921965851 921211467 /nfs/dbraw/zinc/21/14/67/921211467.db2.gz RVMMZMRHGVPNJT-ZIAGYGMSSA-N 2 0 296.459 1.500 10 0 CDAERP COCCC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001271428454 906339068 /nfs/dbraw/zinc/33/90/68/906339068.db2.gz WEBQHGRITFYWQQ-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP COCCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001271428456 906340338 /nfs/dbraw/zinc/34/03/38/906340338.db2.gz WEBQHGRITFYWQQ-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1[NH2+]CCCF ZINC001271447576 906410588 /nfs/dbraw/zinc/41/05/88/906410588.db2.gz LKAMJUZILFVTDL-UONOGXRCSA-N 2 0 297.418 1.268 10 0 CDAERP CC(C)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001271609448 906549020 /nfs/dbraw/zinc/54/90/20/906549020.db2.gz PEJSZIQFUJAVKR-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]C/C=C/Cl ZINC001482518177 906746598 /nfs/dbraw/zinc/74/65/98/906746598.db2.gz NLTJTQRUHRCGDE-YTDWTQRBSA-N 2 0 287.835 1.564 10 0 CDAERP CC(C)[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CCF ZINC001482535842 906911294 /nfs/dbraw/zinc/91/12/94/906911294.db2.gz GRSMHKPCYZMCEH-UONOGXRCSA-N 2 0 287.423 1.561 10 0 CDAERP CCN(CC[NH2+]CC1CC1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001482931549 908501360 /nfs/dbraw/zinc/50/13/60/908501360.db2.gz TVLFADCBIHUMBB-HOTGVXAUSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@@H]([NH2+]CC1CCOCC1)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001409380153 910351443 /nfs/dbraw/zinc/35/14/43/910351443.db2.gz FCPRWFYYDHPMLV-KGLIPLIRSA-N 2 0 299.459 1.238 10 0 CDAERP CO[C@H](C)C[NH2+]CC[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001568066267 1169131596 /nfs/dbraw/zinc/13/15/96/1169131596.db2.gz LDGSDEZSYIPHPL-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001568075617 1169132628 /nfs/dbraw/zinc/13/26/28/1169132628.db2.gz FDSIAIONJHBIRR-GJZGRUSLSA-N 2 0 281.444 1.566 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]C/C=C\Cl)C1CC1 ZINC001483569626 911275640 /nfs/dbraw/zinc/27/56/40/911275640.db2.gz BYDDTLDKMIIJKH-FXGKEJOTSA-N 2 0 299.846 1.708 10 0 CDAERP CC(C)[NH2+]C[C@H](NC(=O)C[N@H+](C)C(C)C)C1CC1 ZINC001483606268 911311818 /nfs/dbraw/zinc/31/18/18/911311818.db2.gz BZHCFYOXOUVPIU-ZDUSSCGKSA-N 2 0 255.406 1.219 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH+](C)C)C1 ZINC001434355217 915014733 /nfs/dbraw/zinc/01/47/33/915014733.db2.gz KRMJFJLHVLXGFT-LSDHHAIUSA-N 2 0 281.444 1.661 10 0 CDAERP CCCCCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001483791536 915069698 /nfs/dbraw/zinc/06/96/98/915069698.db2.gz XDJKCDPNSKPPKN-CQSZACIVSA-N 2 0 281.444 1.757 10 0 CDAERP CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001483847113 915105751 /nfs/dbraw/zinc/10/57/51/915105751.db2.gz JBPGDDIWFFUXFW-MRXNPFEDSA-N 2 0 281.444 1.661 10 0 CDAERP C1C[C@@H]2C[C@H]([NH2+][C@H]3CCC4(C3)OCCO4)CC[N@@H+]2C1 ZINC001178337087 915347648 /nfs/dbraw/zinc/34/76/48/915347648.db2.gz XTCMYKNVBCLWBA-HZSPNIEDSA-N 2 0 266.385 1.498 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)OCc1ccc(N)nc1 ZINC000922724409 921776089 /nfs/dbraw/zinc/77/60/89/921776089.db2.gz BWBOXADPWKGZML-CYBMUJFWSA-N 2 0 277.368 1.972 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1CC[C@H](CC[NH2+]CC)C1 ZINC001484550539 915876339 /nfs/dbraw/zinc/87/63/39/915876339.db2.gz USVNHAWOAZQLQF-AWEZNQCLSA-N 2 0 269.433 1.566 10 0 CDAERP CC(C)C[NH2+]CC1(NC(=O)C[N@H+](C)C(C)C)CCOCC1 ZINC001484873185 916218887 /nfs/dbraw/zinc/21/88/87/916218887.db2.gz WTHYCPWACKTJHU-UHFFFAOYSA-N 2 0 299.459 1.238 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[NH2+]CCCF)CC[N@@H+]1C ZINC001485037505 916417335 /nfs/dbraw/zinc/41/73/35/916417335.db2.gz DLJHPYXHGKYPCS-QLFBSQMISA-N 2 0 299.434 1.657 10 0 CDAERP C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)NCCC[NH+]3CCCC3)[C@H]2C1 ZINC001123475350 936168222 /nfs/dbraw/zinc/16/82/22/936168222.db2.gz GNSXDWIVFGMIGX-SOUVJXGZSA-N 2 0 294.443 1.112 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@H](C)[NH2+]CC(C)C ZINC001485209220 916672723 /nfs/dbraw/zinc/67/27/23/916672723.db2.gz VAQFUWRFBONBQJ-QWHCGFSZSA-N 2 0 257.422 1.467 10 0 CDAERP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH+](C)CCCF ZINC001485372936 916925510 /nfs/dbraw/zinc/92/55/10/916925510.db2.gz GPSLRLFSHQXFLH-OLZOCXBDSA-N 2 0 273.396 1.124 10 0 CDAERP COCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001485585975 917109803 /nfs/dbraw/zinc/10/98/03/917109803.db2.gz OFIQVYWQKVQDLZ-CQSZACIVSA-N 2 0 299.459 1.190 10 0 CDAERP CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001485694054 917195794 /nfs/dbraw/zinc/19/57/94/917195794.db2.gz VXZUOZGUEJSSJT-KKUMJFAQSA-N 2 0 281.444 1.755 10 0 CDAERP CN(C(=O)[C@H]1CCCC[N@@H+]1C)[C@H](C[NH2+]CCCF)C1CC1 ZINC001485815638 917653733 /nfs/dbraw/zinc/65/37/33/917653733.db2.gz MWVNPNYSTRTCEN-HUUCEWRRSA-N 2 0 299.434 1.657 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000832501782 936583679 /nfs/dbraw/zinc/58/36/79/936583679.db2.gz AHYYYDNDQXBCRF-XJKCOSOUSA-N 2 0 299.434 1.798 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCCF)C[C@@H]1C ZINC001486129349 920735284 /nfs/dbraw/zinc/73/52/84/920735284.db2.gz LRNVWVZMGLVQBP-STQMWFEESA-N 2 0 273.396 1.267 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@]12CCC[C@@H]1[N@H+](CC1CCC1)CC2 ZINC001486145735 920751919 /nfs/dbraw/zinc/75/19/19/920751919.db2.gz FVWNBEYARTVOEN-DOTOQJQBSA-N 2 0 293.455 1.851 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]CCC1CC1)C(C)(C)C ZINC001486408182 920982291 /nfs/dbraw/zinc/98/22/91/920982291.db2.gz AMFOXJGJLAHGGN-CQSZACIVSA-N 2 0 283.460 1.859 10 0 CDAERP CCCC[NH2+]C1CC(N(C)C(=O)CCC[NH+](C)C)C1 ZINC001486475184 921049850 /nfs/dbraw/zinc/04/98/50/921049850.db2.gz CEBWMHFHGZDFTD-UHFFFAOYSA-N 2 0 269.433 1.707 10 0 CDAERP CC[C@H](C[NH2+]C1CC(N(C)C(=O)C[NH+]2CCCC2)C1)OC ZINC001486482523 921059908 /nfs/dbraw/zinc/05/99/08/921059908.db2.gz HJUNFOALSSNPDL-YMAMQOFZSA-N 2 0 297.443 1.086 10 0 CDAERP CCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001671243658 1169256392 /nfs/dbraw/zinc/25/63/92/1169256392.db2.gz DRJICZWFXPGGAV-OLZOCXBDSA-N 2 0 255.406 1.317 10 0 CDAERP COC1(OC)CC[C@@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000710931142 923259498 /nfs/dbraw/zinc/25/94/98/923259498.db2.gz HYQABCBHPWYWLV-LBPRGKRZSA-N 2 0 256.390 1.459 10 0 CDAERP Fc1cccc2c1C[N@H+](C[C@@H]1CC3(C[NH2+]C3)CO1)CC2 ZINC000923372695 923796493 /nfs/dbraw/zinc/79/64/93/923796493.db2.gz JAJRTOFJYIAIFP-ZDUSSCGKSA-N 2 0 276.355 1.562 10 0 CDAERP O=C1CC[C@@H]2C[N@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[C@H]2N1 ZINC000923389526 923802034 /nfs/dbraw/zinc/80/20/34/923802034.db2.gz CPDADFFTIJEXMI-KMVIYXDESA-N 2 0 291.439 1.508 10 0 CDAERP O[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000923413055 923818648 /nfs/dbraw/zinc/81/86/48/923818648.db2.gz BCMGSVBMMQJXTG-GVDBMIGSSA-N 2 0 274.408 1.664 10 0 CDAERP CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001568385254 1169269806 /nfs/dbraw/zinc/26/98/06/1169269806.db2.gz CFMFIOOOMFHLIQ-RBSFLKMASA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001488848602 926719030 /nfs/dbraw/zinc/71/90/30/926719030.db2.gz DLTGVNMIMMFVBN-SHTZXODSSA-N 2 0 281.444 1.779 10 0 CDAERP c1ncn(-c2ccccc2C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)n1 ZINC000843117277 937113665 /nfs/dbraw/zinc/11/36/65/937113665.db2.gz ODPSZHOUOUQRAF-KRWDZBQOSA-N 2 0 297.406 1.843 10 0 CDAERP C[N@H+](CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CC1CC1 ZINC001490194844 927032538 /nfs/dbraw/zinc/03/25/38/927032538.db2.gz CCILZOUYLXZWKK-OAHLLOKOSA-N 2 0 279.428 1.176 10 0 CDAERP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)C1CC[NH+](CCF)CC1 ZINC001411234919 927282627 /nfs/dbraw/zinc/28/26/27/927282627.db2.gz JWKYERSRMBGEQO-CYBMUJFWSA-N 2 0 299.434 1.657 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001490760343 927333693 /nfs/dbraw/zinc/33/36/93/927333693.db2.gz ZBBQGYKGKUTOQW-OWCLPIDISA-N 2 0 295.471 1.907 10 0 CDAERP C[NH2+]C[C@H]1CCCCN1CCC[NH+]1CCCCC1 ZINC000695544421 937266127 /nfs/dbraw/zinc/26/61/27/937266127.db2.gz KSUKVUPSBOWDDX-OAHLLOKOSA-N 2 0 253.434 1.936 10 0 CDAERP CCN(CC)[C@@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000699301583 937301848 /nfs/dbraw/zinc/30/18/48/937301848.db2.gz PAKLSVNFBVJLLU-WTXIUTQJSA-N 2 0 265.445 1.933 10 0 CDAERP C[NH+]1CCC(C[NH2+][C@@H]2CCCc3[nH]c(=O)ccc32)CC1 ZINC000128769515 929776904 /nfs/dbraw/zinc/77/69/04/929776904.db2.gz HVQSLPYVNNAOMN-CQSZACIVSA-N 2 0 275.396 1.684 10 0 CDAERP COc1ccccc1[C@H](O)C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000817894418 930621449 /nfs/dbraw/zinc/62/14/49/930621449.db2.gz YRKIIIZAHWWCQZ-DMDPSCGWSA-N 2 0 252.358 1.444 10 0 CDAERP CCN(C)c1ccccc1C[NH2+][C@H](CCC[NH3+])COC ZINC000817902038 930623907 /nfs/dbraw/zinc/62/39/07/930623907.db2.gz HFDLGFHAFLSIOW-OAHLLOKOSA-N 2 0 279.428 1.986 10 0 CDAERP CC(C)=CC[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001274280756 931487337 /nfs/dbraw/zinc/48/73/37/931487337.db2.gz OOZQDPLNKFGXRK-CABCVRRESA-N 2 0 291.439 1.485 10 0 CDAERP COCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001274498453 931504420 /nfs/dbraw/zinc/50/44/20/931504420.db2.gz LMRAKSLPSMGDST-ZYDHHDLOSA-N 2 0 297.443 1.015 10 0 CDAERP CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001411703450 931969680 /nfs/dbraw/zinc/96/96/80/931969680.db2.gz QEWLUHMBIIJGMH-OWCLPIDISA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC001411748469 931993169 /nfs/dbraw/zinc/99/31/69/931993169.db2.gz ZWMJWEXXVTZVHK-AWEZNQCLSA-N 2 0 295.471 1.953 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+]Cc1cnc(C)o1 ZINC001448767751 932226973 /nfs/dbraw/zinc/22/69/73/932226973.db2.gz VHGLRMGTBBMUSX-GFCCVEGCSA-N 2 0 296.415 1.261 10 0 CDAERP C[C@H](CCNC(=O)C1([NH+](C)C)CCCC1)[NH+](C)C ZINC001146891624 932344940 /nfs/dbraw/zinc/34/49/40/932344940.db2.gz SUXFHZYTVUMWLL-GFCCVEGCSA-N 2 0 255.406 1.317 10 0 CDAERP CN(CCC[NH2+]CC1CC1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001276071351 932491016 /nfs/dbraw/zinc/49/10/16/932491016.db2.gz RJEKXFXXQMGGHP-HZPDHXFCSA-N 2 0 293.455 1.851 10 0 CDAERP CC1(C)[C@@H]([NH2+]CCSCCCO)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925609321 932914345 /nfs/dbraw/zinc/91/43/45/932914345.db2.gz SKEPXIVVSWUHAA-AGIUHOORSA-N 2 0 272.458 1.468 10 0 CDAERP CC[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1cnn(C)c1 ZINC000925794384 932938661 /nfs/dbraw/zinc/93/86/61/932938661.db2.gz DVANGJGFVQGNTQ-YRGRVCCFSA-N 2 0 250.390 1.706 10 0 CDAERP CC1CC[NH+](CCN2CCc3[nH+]ccc(N)c3C2)CC1 ZINC000931514561 933580268 /nfs/dbraw/zinc/58/02/68/933580268.db2.gz BDHBLNYWVRZHHF-UHFFFAOYSA-N 2 0 274.412 1.754 10 0 CDAERP C[N@@H+]1C[C@@H]2C[NH+](CCC3CCOCC3)C[C@]2(C)C1 ZINC000933734510 933853495 /nfs/dbraw/zinc/85/34/95/933853495.db2.gz UUYYACNBKHRKCQ-CABCVRRESA-N 2 0 252.402 1.687 10 0 CDAERP CC(=O)NCCCCC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC001119852812 937760214 /nfs/dbraw/zinc/76/02/14/937760214.db2.gz WUFFUCBNEWASLT-HNNXBMFYSA-N 2 0 269.433 1.709 10 0 CDAERP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001490857589 934570938 /nfs/dbraw/zinc/57/09/38/934570938.db2.gz PRLGLLJWKZMAKV-QDNWOOLPSA-N 2 0 293.455 1.875 10 0 CDAERP CO[C@H]1CCC[C@H]([NH2+]CCCN2CC[NH+](C)CC2)CC1 ZINC000718757388 934831660 /nfs/dbraw/zinc/83/16/60/934831660.db2.gz YVMTYFXLHDOGIL-HOTGVXAUSA-N 2 0 283.460 1.561 10 0 CDAERP CCCC[NH2+]C[C@H](NC(=O)Cn1cncc1C)C1CC1 ZINC001276626860 940453078 /nfs/dbraw/zinc/45/30/78/940453078.db2.gz MXPFYSKVQPPHHE-AWEZNQCLSA-N 2 0 278.400 1.476 10 0 CDAERP C[C@@H]1[C@@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)CO[C@H]1C ZINC000405554398 940991156 /nfs/dbraw/zinc/99/11/56/940991156.db2.gz CAOADNGORZNQNX-IHRRRGAJSA-N 2 0 269.433 1.025 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH2+]CCCF)CCC2)C1 ZINC001280534194 942458907 /nfs/dbraw/zinc/45/89/07/942458907.db2.gz RNKDNRKUEJOXDY-ZDUSSCGKSA-N 2 0 285.407 1.316 10 0 CDAERP CCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001280683111 942473662 /nfs/dbraw/zinc/47/36/62/942473662.db2.gz PFJRUTPKMYECDL-OAHLLOKOSA-N 2 0 297.443 1.089 10 0 CDAERP CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001282143253 942668117 /nfs/dbraw/zinc/66/81/17/942668117.db2.gz SEJIBBXMYBSUDY-NWDGAFQWSA-N 2 0 255.406 1.364 10 0 CDAERP COCCCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001282411555 942708769 /nfs/dbraw/zinc/70/87/69/942708769.db2.gz KANIYRSHMXSVKZ-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]C(C)C)C1 ZINC001283090730 942819839 /nfs/dbraw/zinc/81/98/39/942819839.db2.gz CRQOHRVYHKOVDO-JOCQHMNTSA-N 2 0 255.406 1.221 10 0 CDAERP CC(C)=CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001283278059 942870337 /nfs/dbraw/zinc/87/03/37/942870337.db2.gz HIZPCRXWYSPWGR-LSDHHAIUSA-N 2 0 281.444 1.779 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]CC2CC2)CN1C(=O)CCCC[NH+](C)C ZINC001284027455 943053593 /nfs/dbraw/zinc/05/35/93/943053593.db2.gz VMLUJGSCJMUOOR-DZGCQCFKSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N(C)C[C@H]2CCC[NH+](C)C2)CC[N@@H+]1C ZINC001362159301 970959913 /nfs/dbraw/zinc/95/99/13/970959913.db2.gz WLLUPAZPJIFCRX-KKUMJFAQSA-N 2 0 281.444 1.517 10 0 CDAERP CC/C=C/CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001263879104 944018068 /nfs/dbraw/zinc/01/80/68/944018068.db2.gz MUFARGOSKROUNL-GHNZZDGLSA-N 2 0 293.455 1.779 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCCCC[C@H]([NH2+]CCOC)C1 ZINC001264683394 944163781 /nfs/dbraw/zinc/16/37/81/944163781.db2.gz CHRALSUACFKPEZ-HNNXBMFYSA-N 2 0 299.459 1.335 10 0 CDAERP CC(C)=CC[N@@H+](C)CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001265061195 944217091 /nfs/dbraw/zinc/21/70/91/944217091.db2.gz HXUDHQWCFSZQGO-OAHLLOKOSA-N 2 0 283.460 1.977 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCCNC(=O)C[NH+]1CCCC1 ZINC001265068226 944220041 /nfs/dbraw/zinc/22/00/41/944220041.db2.gz BLTKZWZTAHFGRV-AWEZNQCLSA-N 2 0 269.433 1.566 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)C1CC1 ZINC001265177430 944262469 /nfs/dbraw/zinc/26/24/69/944262469.db2.gz SCTSDIWIEVHLHK-JKSUJKDBSA-N 2 0 293.455 1.994 10 0 CDAERP O=C(CCCC[NH+]1CCCC1)N[C@H]1CC[N@@H+](CCCF)C1 ZINC001265319639 944342214 /nfs/dbraw/zinc/34/22/14/944342214.db2.gz OYHRQUJGINBYCW-HNNXBMFYSA-N 2 0 299.434 1.803 10 0 CDAERP CCOCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001265613085 944447264 /nfs/dbraw/zinc/44/72/64/944447264.db2.gz IDYUNVUVUWKEDQ-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001265636261 944453274 /nfs/dbraw/zinc/45/32/74/944453274.db2.gz GOVCSTZNKAANDR-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@@H](C(=O)NC[C@@H](C)[NH2+]CC1=CCCCC1)[NH+](C)C ZINC001265827790 944528945 /nfs/dbraw/zinc/52/89/45/944528945.db2.gz YCFDNABBQPYDDX-HIFRSBDPSA-N 2 0 281.444 1.921 10 0 CDAERP C[NH+](CC(=O)NCCC[N@@H+](C)CC1CCC1)C1CCC1 ZINC001265862888 944546256 /nfs/dbraw/zinc/54/62/56/944546256.db2.gz KOGJVASOMGJWGW-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP C[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCC1)CC1CC1 ZINC001265902290 944564473 /nfs/dbraw/zinc/56/44/73/944564473.db2.gz LKZWGOPJRJSCIA-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@@H](C[N@H+](C)CCCNC(=O)C1CC[NH+](C)CC1)OC ZINC001265917127 944572400 /nfs/dbraw/zinc/57/24/00/944572400.db2.gz CZBRBDWSTLDAJJ-HNNXBMFYSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[NH2+]C[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001265986740 944616930 /nfs/dbraw/zinc/61/69/30/944616930.db2.gz LRYBZMCYAYQVOK-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](C[NH2+]CCCCCF)C2)C1 ZINC001266036790 944645375 /nfs/dbraw/zinc/64/53/75/944645375.db2.gz DJJYNWMHETWKGB-HUUCEWRRSA-N 2 0 299.434 1.516 10 0 CDAERP CC(C)=CC[N@@H+](C)CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001280883870 944645636 /nfs/dbraw/zinc/64/56/36/944645636.db2.gz PWGNGUVHGCADFI-UHFFFAOYSA-N 2 0 281.444 1.829 10 0 CDAERP O=C(NCCC[N@@H+](CCF)C1CC1)C12CCC[NH+]1CCC2 ZINC001266145198 944714052 /nfs/dbraw/zinc/71/40/52/944714052.db2.gz MPNYBSJCEHZDBB-UHFFFAOYSA-N 2 0 297.418 1.555 10 0 CDAERP COCCC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001279248830 944789292 /nfs/dbraw/zinc/78/92/92/944789292.db2.gz CSSZRUYHNOAWLX-YMAMQOFZSA-N 2 0 297.443 1.086 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCCC(=O)N(C)C)[C@@H](C)C1 ZINC001261544051 946165948 /nfs/dbraw/zinc/16/59/48/946165948.db2.gz FQCQIQYWASBEPJ-KBPBESRZSA-N 2 0 269.433 1.517 10 0 CDAERP CN(C[C@@H]1CC[N@@H+]1CC1CCC1)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001479260141 971277170 /nfs/dbraw/zinc/27/71/70/971277170.db2.gz GOVHJSMVDMTXJR-HOTGVXAUSA-N 2 0 293.455 1.661 10 0 CDAERP CN(C[C@@H]1CC[N@@H+]1CC1CCC1)C(=O)C[NH+]1CCCC1 ZINC001479272529 971281469 /nfs/dbraw/zinc/28/14/69/971281469.db2.gz VTVFWOWLSSFRTK-HNNXBMFYSA-N 2 0 279.428 1.415 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCCF)[C@@H]1CC ZINC001479645705 971356737 /nfs/dbraw/zinc/35/67/37/971356737.db2.gz WTXPHMULKHLFOI-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001362535825 971380095 /nfs/dbraw/zinc/38/00/95/971380095.db2.gz QXXHPUPDMLSOMD-KBUPBQIOSA-N 2 0 281.444 1.706 10 0 CDAERP C[C@@H](C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)C[NH+](C)C ZINC000724096306 948628448 /nfs/dbraw/zinc/62/84/48/948628448.db2.gz JCJMQDFRNCVLCZ-IUCAKERBSA-N 2 0 292.292 1.722 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001362667195 971504299 /nfs/dbraw/zinc/50/42/99/971504299.db2.gz QHTHDSZKOBNYSQ-LSDHHAIUSA-N 2 0 283.460 1.907 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC12CC[NH+](CC1CC1)CC2 ZINC001479988423 971525444 /nfs/dbraw/zinc/52/54/44/971525444.db2.gz PNRUGVMMNIODEO-OAHLLOKOSA-N 2 0 293.455 1.707 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCC(C)C)C2)CC[N@@H+]1C ZINC001480139576 971598871 /nfs/dbraw/zinc/59/88/71/971598871.db2.gz XFAPYMPGQYCACW-YHUYYLMFSA-N 2 0 295.471 2.000 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H](F)CC)C1 ZINC001480206694 971629045 /nfs/dbraw/zinc/62/90/45/971629045.db2.gz IMTMNDALGUREIF-APIJFGDWSA-N 2 0 299.434 1.846 10 0 CDAERP COCC[NH2+]C[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001569065917 1169626360 /nfs/dbraw/zinc/62/63/60/1169626360.db2.gz ASSMYDWMKFHYLC-ZDUSSCGKSA-N 2 0 299.459 1.380 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001480301026 971663220 /nfs/dbraw/zinc/66/32/20/971663220.db2.gz SRIMJQGDGCRJDI-JKSUJKDBSA-N 2 0 295.471 1.812 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001569081555 1169634278 /nfs/dbraw/zinc/63/42/78/1169634278.db2.gz QFJNRETXYFJLRW-AVGNSLFASA-N 2 0 257.422 1.467 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1cncs1 ZINC001480518575 971764528 /nfs/dbraw/zinc/76/45/28/971764528.db2.gz PTYDMCZATUPBJI-AAEUAGOBSA-N 2 0 296.440 1.222 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)C[NH+](C)[C@@H]1CCC[C@H]1O ZINC001362962817 971766345 /nfs/dbraw/zinc/76/63/45/971766345.db2.gz NGGDDFWUUSMNDF-RBSFLKMASA-N 2 0 299.459 1.068 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+]CC1=CCCCC1 ZINC001480565470 971786917 /nfs/dbraw/zinc/78/69/17/971786917.db2.gz MWPFGOFJDAZEQZ-CQSZACIVSA-N 2 0 281.444 1.923 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001480645882 971823351 /nfs/dbraw/zinc/82/33/51/971823351.db2.gz MKLOQQJWKLBSBY-BZUAXINKSA-N 2 0 293.455 1.731 10 0 CDAERP CCN(CCNC(=O)C[NH+]1CCCC1)Cc1cc(C)no1 ZINC001493058908 971934931 /nfs/dbraw/zinc/93/49/31/971934931.db2.gz SSUDKGXBIJQRDU-UHFFFAOYSA-N 2 0 294.399 1.017 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CCC(C)(C)C ZINC001493058974 971935639 /nfs/dbraw/zinc/93/56/39/971935639.db2.gz UBPWPMYYUKNXOP-CQSZACIVSA-N 2 0 283.460 1.812 10 0 CDAERP COCCN(C)C[C@H](O)C[N@@H+]1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001363843306 953901695 /nfs/dbraw/zinc/90/16/95/953901695.db2.gz WBBIZSOZQGVDLP-ULQDDVLXSA-N 2 0 296.455 1.436 10 0 CDAERP CCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001325475306 953919318 /nfs/dbraw/zinc/91/93/18/953919318.db2.gz LLEOOBPZTWYQON-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@H]2CC[C@H](C[NH2+]CCF)CC2)CCC1 ZINC001326520602 954417859 /nfs/dbraw/zinc/41/78/59/954417859.db2.gz CANIBQQAKBUWKD-HDJSIYSDSA-N 2 0 299.434 1.705 10 0 CDAERP COC(=O)c1cccc(C[NH2+]CCCC[NH+](C)C)c1 ZINC001326894950 954605176 /nfs/dbraw/zinc/60/51/76/954605176.db2.gz MGYCIFIGVUNUNE-UHFFFAOYSA-N 2 0 264.369 1.905 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cccc3c[nH]nc32)C1 ZINC001327679155 954995209 /nfs/dbraw/zinc/99/52/09/954995209.db2.gz DOKNCJKLMOINNO-VDISTLRHSA-N 2 0 258.369 1.993 10 0 CDAERP CN(C)C(=O)CCC[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001363306459 972072949 /nfs/dbraw/zinc/07/29/49/972072949.db2.gz AISORDPWHRFBLE-CALCHBBNSA-N 2 0 293.455 1.663 10 0 CDAERP C[NH+](C)CCC(=O)NCCC1CC[NH+](CCF)CC1 ZINC001421638009 955443786 /nfs/dbraw/zinc/44/37/86/955443786.db2.gz NWGOKJFIJZZQKL-UHFFFAOYSA-N 2 0 273.396 1.126 10 0 CDAERP O=C(N1CC[C@@H](C[NH2+]C/C=C/Cl)C1)C12CC[NH+](CC1)C2 ZINC001491847762 955467469 /nfs/dbraw/zinc/46/74/69/955467469.db2.gz LHHGTHLHBOEBDK-CCRVJLMDSA-N 2 0 297.830 1.273 10 0 CDAERP CC(C)=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001491887442 955492144 /nfs/dbraw/zinc/49/21/44/955492144.db2.gz YDECCDBCOPWPAZ-HUUCEWRRSA-N 2 0 281.444 1.921 10 0 CDAERP CN(CC[NH+]1CCCCC1)C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC001328846204 955510187 /nfs/dbraw/zinc/51/01/87/955510187.db2.gz LUSSGWGBAKHNKE-KBPBESRZSA-N 2 0 267.417 1.448 10 0 CDAERP CC(C)C[C@H](C[NH2+]C(C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001421995642 955689507 /nfs/dbraw/zinc/68/95/07/955689507.db2.gz BBLVWFJHDQLTDL-RBSFLKMASA-N 2 0 283.460 1.856 10 0 CDAERP CC(C)[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CC1CCCC1 ZINC001422125727 955758039 /nfs/dbraw/zinc/75/80/39/955758039.db2.gz XHTLXKJCPAKCMN-OAHLLOKOSA-N 2 0 283.460 1.859 10 0 CDAERP C([C@H]1C[C@@]12CCOC2)[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001365328747 955902391 /nfs/dbraw/zinc/90/23/91/955902391.db2.gz INWDCNYQVYBTMK-RHSMWYFYSA-N 2 0 294.439 1.646 10 0 CDAERP CC[C@H](C)C[N@H+](C)C[C@H](C)NC(=O)Cn1cncc1C ZINC001422850795 956404089 /nfs/dbraw/zinc/40/40/89/956404089.db2.gz YRMNQIVFLPLNNS-STQMWFEESA-N 2 0 280.416 1.674 10 0 CDAERP CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001422869373 956412462 /nfs/dbraw/zinc/41/24/62/956412462.db2.gz WTHICDBSSLTRHR-QKDCVEJESA-N 2 0 279.428 1.176 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H]([NH2+]CC2CC2)C2CC2)CC[N@@H+]1C ZINC001366028767 956519743 /nfs/dbraw/zinc/51/97/43/956519743.db2.gz BKCKPQSWIZBEPH-ARFHVFGLSA-N 2 0 293.455 1.611 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001366136962 956590761 /nfs/dbraw/zinc/59/07/61/956590761.db2.gz UVOKRJYMUWSKGK-AVGNSLFASA-N 2 0 283.391 1.067 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001366194839 956632831 /nfs/dbraw/zinc/63/28/31/956632831.db2.gz BYSYPCGDQIYHLT-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001423356663 956734831 /nfs/dbraw/zinc/73/48/31/956734831.db2.gz IDFSFUCEKOKJKQ-SOUVJXGZSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC1CC1 ZINC001366324614 956745690 /nfs/dbraw/zinc/74/56/90/956745690.db2.gz BKHJZYYKNGCEDM-UKRRQHHQSA-N 2 0 281.444 1.754 10 0 CDAERP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@@H](C)c1ccccc1 ZINC001366360987 956770163 /nfs/dbraw/zinc/77/01/63/956770163.db2.gz WKQBZUCWAJHCHN-CABCVRRESA-N 2 0 289.423 1.938 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]C/C=C\Cl ZINC001366370878 956777576 /nfs/dbraw/zinc/77/75/76/956777576.db2.gz YGHXVEZGHIRBNW-SVSNBYFCSA-N 2 0 287.835 1.708 10 0 CDAERP COCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+](C)C ZINC001316703851 956922812 /nfs/dbraw/zinc/92/28/12/956922812.db2.gz LDDRZVCKXCQGDD-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP CC[NH+]1CCC([C@@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001423654538 956923176 /nfs/dbraw/zinc/92/31/76/956923176.db2.gz WDCUPFBEZUNJHO-UONOGXRCSA-N 2 0 281.444 1.565 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC[N@@H+](C)CC2CC2)C1 ZINC001366587470 956998421 /nfs/dbraw/zinc/99/84/21/956998421.db2.gz XCUFYLKLXAMPKQ-GJZGRUSLSA-N 2 0 281.444 1.565 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)CCC(C)C ZINC001366612297 957036248 /nfs/dbraw/zinc/03/62/48/957036248.db2.gz AWUZCTYUARHXBK-INIZCTEOSA-N 2 0 295.471 1.812 10 0 CDAERP CCCC[N@H+]1C[C@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@H]2C1 ZINC001424000068 957069389 /nfs/dbraw/zinc/06/93/89/957069389.db2.gz ZLDUGBAPSDWTKC-GASCZTMLSA-N 2 0 281.444 1.517 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1CCC[N@H+](CC(C)C)C1)[NH+](C)C ZINC001316942649 957141541 /nfs/dbraw/zinc/14/15/41/957141541.db2.gz CPUWIICXZLCADI-ZIAGYGMSSA-N 2 0 269.433 1.563 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCCCCF)C1 ZINC001316982717 957180629 /nfs/dbraw/zinc/18/06/29/957180629.db2.gz PBCVPKAKDOLNIH-HUUCEWRRSA-N 2 0 299.434 1.801 10 0 CDAERP CC/C=C/CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC001317214162 957344721 /nfs/dbraw/zinc/34/47/21/957344721.db2.gz NNWHZKOBMFAFHL-DYSDUBFHSA-N 2 0 291.439 1.341 10 0 CDAERP CCCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H]1C ZINC001331944607 957352981 /nfs/dbraw/zinc/35/29/81/957352981.db2.gz RZVJYDQFKZLTGM-UONOGXRCSA-N 2 0 269.433 1.706 10 0 CDAERP CC[C@@H](C(=O)NC[C@H](C)[NH2+]CC=C(C)C)[NH+](C)C ZINC001317264678 957389174 /nfs/dbraw/zinc/38/91/74/957389174.db2.gz OFKLQLAOEMUXSR-STQMWFEESA-N 2 0 255.406 1.387 10 0 CDAERP COCCCC[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001317265846 957391277 /nfs/dbraw/zinc/39/12/77/957391277.db2.gz PODTZZFLYIBCCB-KKUMJFAQSA-N 2 0 299.459 1.238 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)CC1CCCCC1 ZINC001425077375 957464218 /nfs/dbraw/zinc/46/42/18/957464218.db2.gz QFJWYXJYFDYWEV-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP CC/C=C/CC[N@H+](C)CCNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001317468880 957498431 /nfs/dbraw/zinc/49/84/31/957498431.db2.gz HTTZQHMMVGLWPL-BDUNBXCCSA-N 2 0 293.455 1.877 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001425389610 957526260 /nfs/dbraw/zinc/52/62/60/957526260.db2.gz HVGUMYJWUYNBOI-AJNGGQMLSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]CC1CC(C)C1 ZINC001425693821 957602019 /nfs/dbraw/zinc/60/20/19/957602019.db2.gz KBKLSQFHSVCKMM-SHARSMKWSA-N 2 0 283.460 1.809 10 0 CDAERP CCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]1CC[N@H+](CC)C1 ZINC001317761761 957655381 /nfs/dbraw/zinc/65/53/81/957655381.db2.gz OZRWWPALPORGKY-ZIAGYGMSSA-N 2 0 269.433 1.659 10 0 CDAERP COCC[N@H+](CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C(C)C ZINC001426164206 957814378 /nfs/dbraw/zinc/81/43/78/957814378.db2.gz GTYZHNFIAKONAT-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CCCCCF)C1)[NH+](C)C ZINC001318260285 958003656 /nfs/dbraw/zinc/00/36/56/958003656.db2.gz BXYGNIFSKXQVFL-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP CC[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC1CC1 ZINC001318570596 958175818 /nfs/dbraw/zinc/17/58/18/958175818.db2.gz PPHHEXSQSDURIG-JSGCOSHPSA-N 2 0 267.417 1.223 10 0 CDAERP Cc1cc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)on1 ZINC001367741075 958288699 /nfs/dbraw/zinc/28/86/99/958288699.db2.gz PYGVMTGXFYOUTG-JSGCOSHPSA-N 2 0 294.399 1.062 10 0 CDAERP CC[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001319512530 958602478 /nfs/dbraw/zinc/60/24/78/958602478.db2.gz VNXIQYUAQQUSLA-LBPRGKRZSA-N 2 0 255.406 1.317 10 0 CDAERP CC(C)COCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001319574947 958637842 /nfs/dbraw/zinc/63/78/42/958637842.db2.gz QQBGVYYKBHOCDN-CABCVRRESA-N 2 0 299.459 1.047 10 0 CDAERP CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001319593028 958643473 /nfs/dbraw/zinc/64/34/73/958643473.db2.gz LOLBQDCUOHCKNT-KGLIPLIRSA-N 2 0 269.433 1.563 10 0 CDAERP CCCC[NH+]1CCC(C)(NC(=O)C[NH+]2CCCC2)CC1 ZINC001368129439 958655918 /nfs/dbraw/zinc/65/59/18/958655918.db2.gz RABOJYHWPQMBNS-UHFFFAOYSA-N 2 0 281.444 1.853 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CCC[N@H+](CC(C)C)CC1)[NH+](C)C ZINC001368534319 958936964 /nfs/dbraw/zinc/93/69/64/958936964.db2.gz RKFKQZMJCRJMPL-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cnccc1C ZINC001495050749 972389909 /nfs/dbraw/zinc/38/99/09/972389909.db2.gz PWQBQRPRPRXMMO-HNNXBMFYSA-N 2 0 292.427 1.326 10 0 CDAERP CO[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001368678381 959032312 /nfs/dbraw/zinc/03/23/12/959032312.db2.gz ZPVUERWJJGSYDJ-KBPBESRZSA-N 2 0 299.459 1.190 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC1CC1 ZINC001320441330 959176988 /nfs/dbraw/zinc/17/69/88/959176988.db2.gz ZIQYHOTTYMLIAM-ZFWWWQNUSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1nocc1C)[NH+](C)C ZINC001320465123 959187166 /nfs/dbraw/zinc/18/71/66/959187166.db2.gz XDRIJAHISCMSMB-TZMCWYRMSA-N 2 0 296.415 1.308 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC(C)C ZINC001369008903 959398083 /nfs/dbraw/zinc/39/80/83/959398083.db2.gz RUTYBJGRIJCOFM-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001369155134 959489453 /nfs/dbraw/zinc/48/94/53/959489453.db2.gz FUJAQLNRFOZBIA-ARFHVFGLSA-N 2 0 295.471 1.953 10 0 CDAERP Cc1cc(C[N@H+]2CC[C@H](NC(=O)CC[NH+](C)C)C2)cs1 ZINC001370011233 959955724 /nfs/dbraw/zinc/95/57/24/959955724.db2.gz CLHORKMBRMKDON-AWEZNQCLSA-N 2 0 295.452 1.699 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCCF ZINC001321906809 960011286 /nfs/dbraw/zinc/01/12/86/960011286.db2.gz JLOYUEMOHZOOPE-KBPBESRZSA-N 2 0 287.423 1.561 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]C/C=C\Cl)C2)C1 ZINC001370685095 960183436 /nfs/dbraw/zinc/18/34/36/960183436.db2.gz YVNIAGFXXHLVQF-VUPNNOLJSA-N 2 0 285.819 1.318 10 0 CDAERP CCC[NH2+]CCC1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001495430011 972498359 /nfs/dbraw/zinc/49/83/59/972498359.db2.gz DBCRBNZGEKFHKK-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001323095178 960446590 /nfs/dbraw/zinc/44/65/90/960446590.db2.gz WANPMJRQWPBGBL-OCCSQVGLSA-N 2 0 297.418 1.315 10 0 CDAERP CC(C)[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001323441157 960737639 /nfs/dbraw/zinc/73/76/39/960737639.db2.gz GPPPSXCRKQLEFI-CYBMUJFWSA-N 2 0 267.417 1.506 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]3C[NH+](C)C[C@H]32)C1 ZINC001434025593 960899531 /nfs/dbraw/zinc/89/95/31/960899531.db2.gz ZPQHQIULYFZEHQ-SOUVJXGZSA-N 2 0 279.428 1.269 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001418912330 961152785 /nfs/dbraw/zinc/15/27/85/961152785.db2.gz JANYJQXPAJQCKR-CABCVRRESA-N 2 0 281.444 1.565 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001324225000 961246075 /nfs/dbraw/zinc/24/60/75/961246075.db2.gz GAISCRSOAZELSS-KBPBESRZSA-N 2 0 267.417 1.319 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)N2CCC23CC[NH+](C)CC3)C1 ZINC001434416364 961336274 /nfs/dbraw/zinc/33/62/74/961336274.db2.gz VMQYJNXNEKWRKB-GJZGRUSLSA-N 2 0 293.455 1.804 10 0 CDAERP C[C@@H]([NH2+]CCF)[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001419081949 961350851 /nfs/dbraw/zinc/35/08/51/961350851.db2.gz PVARNKHZZRAVIP-KGLIPLIRSA-N 2 0 297.418 1.411 10 0 CDAERP CCC[N@@H+]1CC[C@H](N(C)C(=O)COC2CC[NH+](C)CC2)C1 ZINC001419107778 961379782 /nfs/dbraw/zinc/37/97/82/961379782.db2.gz JYCNUMHGDNSSQD-AWEZNQCLSA-N 2 0 297.443 1.040 10 0 CDAERP CC[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]C/C=C\Cl ZINC001419236599 961539895 /nfs/dbraw/zinc/53/98/95/961539895.db2.gz BGCXBPMTOBQUBA-NMTKSXOJSA-N 2 0 287.835 1.565 10 0 CDAERP CCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001419614176 961865702 /nfs/dbraw/zinc/86/57/02/961865702.db2.gz DIZPCIJAVSPAOO-HUUCEWRRSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@@H](C[NH2+]Cc1nccs1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001419654947 961930425 /nfs/dbraw/zinc/93/04/25/961930425.db2.gz QYAMYUTVLZLKLX-RYUDHWBXSA-N 2 0 296.440 1.174 10 0 CDAERP C[C@@H]([NH2+]CCF)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001419829419 962138831 /nfs/dbraw/zinc/13/88/31/962138831.db2.gz LREDSFLYTDEORK-CHWSQXEVSA-N 2 0 273.396 1.124 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]C/C=C/Cl ZINC001419842877 962152414 /nfs/dbraw/zinc/15/24/14/962152414.db2.gz UHNAWGDEJVSGBQ-CHOLDYGZSA-N 2 0 287.835 1.564 10 0 CDAERP CO[C@H](C)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1C ZINC001436479649 962282300 /nfs/dbraw/zinc/28/23/00/962282300.db2.gz CEVDXTFKLJBFST-NFAWXSAZSA-N 2 0 297.443 1.085 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1CC[N@H+](CC)[C@@H]1C ZINC001436480597 962282882 /nfs/dbraw/zinc/28/28/82/962282882.db2.gz JPMJIDQICADCQW-AGIUHOORSA-N 2 0 273.396 1.265 10 0 CDAERP CC[C@H](C[NH+]1CCC(N(C)C(=O)CC[NH+](C)C)CC1)OC ZINC001436675437 962340849 /nfs/dbraw/zinc/34/08/49/962340849.db2.gz SLLSEJFRUXPGSX-OAHLLOKOSA-N 2 0 299.459 1.286 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CC[NH+](C)CC1CC1 ZINC001420061432 962437114 /nfs/dbraw/zinc/43/71/14/962437114.db2.gz LFFDYZZNXQHGIH-OKILXGFUSA-N 2 0 281.444 1.659 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001436891605 962482836 /nfs/dbraw/zinc/48/28/36/962482836.db2.gz UYXVRHNEQIBRQW-CYDGBPFRSA-N 2 0 271.380 1.066 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC001436933965 962504789 /nfs/dbraw/zinc/50/47/89/962504789.db2.gz GMYHIEHVWGYWCY-KKUMJFAQSA-N 2 0 297.443 1.133 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@H]2C[C@@H]([NH2+]C/C=C\Cl)C2)CC1 ZINC001436968128 962532699 /nfs/dbraw/zinc/53/26/99/962532699.db2.gz ZYTGQILLRHPYIE-KHQOXSAWSA-N 2 0 285.819 1.318 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1C[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001436976485 962540004 /nfs/dbraw/zinc/54/00/04/962540004.db2.gz IPLVDJCAWQVGEI-RSJSSEIJSA-N 2 0 299.846 1.849 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001437419524 962875257 /nfs/dbraw/zinc/87/52/57/962875257.db2.gz UFIJPDOQFSDCRG-CHWSQXEVSA-N 2 0 285.407 1.315 10 0 CDAERP CC(C)(C(=O)NCC[N@H+](CCCF)C1CC1)[NH+]1CCCC1 ZINC001420667317 963171599 /nfs/dbraw/zinc/17/15/99/963171599.db2.gz HMFRLUVPZPCOPN-UHFFFAOYSA-N 2 0 299.434 1.801 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NCC[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC001437945422 963247722 /nfs/dbraw/zinc/24/77/22/963247722.db2.gz IGDFHQJZXOAUBU-HZPDHXFCSA-N 2 0 293.455 1.566 10 0 CDAERP CC[C@H](C(=O)NC[C@H](CC)[NH2+]Cc1ocnc1C)[NH+](C)C ZINC001438320581 963418639 /nfs/dbraw/zinc/41/86/39/963418639.db2.gz VEFRKCZJADSGMO-QWHCGFSZSA-N 2 0 296.415 1.308 10 0 CDAERP CC[C@@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH2+]CCO ZINC001438336926 963421657 /nfs/dbraw/zinc/42/16/57/963421657.db2.gz WZYXOENEDVRPOE-ZDUSSCGKSA-N 2 0 299.459 1.116 10 0 CDAERP CC[C@@H](F)C[NH2+][C@@H](CC)CNC(=O)C12CC[NH+](CC1)C2 ZINC001438372472 963433296 /nfs/dbraw/zinc/43/32/96/963433296.db2.gz GQGGSCFSVMLLDX-OLZOCXBDSA-N 2 0 285.407 1.315 10 0 CDAERP CO[C@@H](C)C[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001438904348 963596036 /nfs/dbraw/zinc/59/60/36/963596036.db2.gz VTNCBAADKSWHJR-KKUMJFAQSA-N 2 0 299.459 1.142 10 0 CDAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CC[N@H+](C)CCCF ZINC001438944180 963609169 /nfs/dbraw/zinc/60/91/69/963609169.db2.gz GLSVJRRSBGHUOV-KBPBESRZSA-N 2 0 287.423 1.609 10 0 CDAERP C[C@@H](C[N@H+](C)CC1CCCCC1)NC(=O)CC[NH+](C)C ZINC001439360582 963735520 /nfs/dbraw/zinc/73/55/20/963735520.db2.gz FCJKQCBRGQCDLO-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[C@H](CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC1CC1 ZINC001441091894 964358487 /nfs/dbraw/zinc/35/84/87/964358487.db2.gz OYBAFGYHMFPRSP-HOTGVXAUSA-N 2 0 295.471 1.811 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CCCF)C1)[NH+]1CCCC1 ZINC001441129556 964379666 /nfs/dbraw/zinc/37/96/66/964379666.db2.gz RFOKCANAAWJOJV-LSDHHAIUSA-N 2 0 299.434 1.657 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CCC2CC2)C(C)(C)C1 ZINC001441941785 964798556 /nfs/dbraw/zinc/79/85/56/964798556.db2.gz YVMRYMSDAWQSTA-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)CN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001442044458 964844485 /nfs/dbraw/zinc/84/44/85/964844485.db2.gz CELUUFXDNOQNAQ-CABCVRRESA-N 2 0 299.459 1.020 10 0 CDAERP COCC[N@H+](C)CCN(C(=O)[C@@H]1CCCC[NH+]1C)C(C)C ZINC001442117419 964873310 /nfs/dbraw/zinc/87/33/10/964873310.db2.gz LORYXXGTSFWTAK-HNNXBMFYSA-N 2 0 299.459 1.286 10 0 CDAERP CC(C)[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)(C)C ZINC001442155102 964893604 /nfs/dbraw/zinc/89/36/04/964893604.db2.gz ZIHQPEPOISCNQC-MGPQQGTHSA-N 2 0 283.460 1.856 10 0 CDAERP CC(C)CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001442995382 965312216 /nfs/dbraw/zinc/31/22/16/965312216.db2.gz NXSMJJKWZOKXKV-GDBMZVCRSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC[C@H]1CC[NH+](CCCF)C1 ZINC001443276032 965424915 /nfs/dbraw/zinc/42/49/15/965424915.db2.gz VHWWJSJZTJCJOZ-AWEZNQCLSA-N 2 0 287.423 1.514 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001443318483 965438736 /nfs/dbraw/zinc/43/87/36/965438736.db2.gz GBYFNLGXTQDWIS-XHSDSOJGSA-N 2 0 295.471 1.907 10 0 CDAERP C[C@@H](F)CC[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001443336007 965444428 /nfs/dbraw/zinc/44/44/28/965444428.db2.gz PNTSQLDIVZRKAH-ZIAGYGMSSA-N 2 0 287.423 1.467 10 0 CDAERP C[NH+](C)CCC1CCN(C(=O)CC[N@@H+]2CC[C@H](F)C2)CC1 ZINC001443456804 965476282 /nfs/dbraw/zinc/47/62/82/965476282.db2.gz FLJQSFJCRTXLEE-HNNXBMFYSA-N 2 0 299.434 1.611 10 0 CDAERP CC[N@@H+]1CC[C@H]1C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC001443457296 965476828 /nfs/dbraw/zinc/47/68/28/965476828.db2.gz GPQKQNISEKMPET-AWEZNQCLSA-N 2 0 267.417 1.271 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)[C@H]1CC[NH+](CCC(C)C)C1 ZINC001443829855 965625301 /nfs/dbraw/zinc/62/53/01/965625301.db2.gz CEFKXSBGXWQGEM-HNNXBMFYSA-N 2 0 283.460 1.907 10 0 CDAERP CC[NH2+]CC1(NC(=O)[C@@]23CC[N@H+](C2)CCC3)CCCC1 ZINC001444089495 965732278 /nfs/dbraw/zinc/73/22/78/965732278.db2.gz OYCQGHMAGYXPND-HNNXBMFYSA-N 2 0 279.428 1.511 10 0 CDAERP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C)cc1F ZINC001445427971 966193220 /nfs/dbraw/zinc/19/32/20/966193220.db2.gz SBDXMHKYSRMEIQ-CYBMUJFWSA-N 2 0 295.402 1.680 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)CC1 ZINC001446974239 966670620 /nfs/dbraw/zinc/67/06/20/966670620.db2.gz ZKRGZIGDZLTIDU-CABCVRRESA-N 2 0 295.471 1.905 10 0 CDAERP CC(C)OCC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001447293668 966742865 /nfs/dbraw/zinc/74/28/65/966742865.db2.gz CRCPCPSPGBWHMQ-HNNXBMFYSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)[N@H+](C)CCCNC(=O)[C@H]1CC[C@@H]2C[C@@H](C)C[NH+]2C1 ZINC001350892555 966790013 /nfs/dbraw/zinc/79/00/13/966790013.db2.gz QJGSJPLOIQRRCP-OWCLPIDISA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H](C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001448669944 967200718 /nfs/dbraw/zinc/20/07/18/967200718.db2.gz WSOJJOYUQDKVRK-ZIAGYGMSSA-N 2 0 283.460 1.953 10 0 CDAERP CCCC[NH+]1CC(N(C)C(=O)CC[N@H+](C)CCC)C1 ZINC001569503990 1169903545 /nfs/dbraw/zinc/90/35/45/1169903545.db2.gz CJWVZEUOACWYQJ-UHFFFAOYSA-N 2 0 269.433 1.661 10 0 CDAERP CC[C@@H](C(=O)N[C@]12CCC[C@@H]1[N@H+](CC1CC1)CC2)[NH+](C)C ZINC001449016577 967333962 /nfs/dbraw/zinc/33/39/62/967333962.db2.gz SCBPAWDOKOHDBD-ZOBUZTSGSA-N 2 0 293.455 1.850 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)C1CC([NH2+]CC[C@H](C)F)C1 ZINC001449405546 967454138 /nfs/dbraw/zinc/45/41/38/967454138.db2.gz WRKOCIOAWOJGMS-HSBZDZAISA-N 2 0 287.423 1.655 10 0 CDAERP COCC[C@@H](C)[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001460932536 969567696 /nfs/dbraw/zinc/56/76/96/969567696.db2.gz DDLDEKFHKFQUFR-OAHLLOKOSA-N 2 0 284.444 1.724 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12)[NH+](C)C ZINC001522676904 970533721 /nfs/dbraw/zinc/53/37/21/970533721.db2.gz HVZYAILNSILCPZ-RQJABVFESA-N 2 0 267.417 1.029 10 0 CDAERP C[C@H](CNC(=O)CC[N@@H+]1CC[C@H](F)C1)C[NH+]1CCCCC1 ZINC001361839792 970590135 /nfs/dbraw/zinc/59/01/35/970590135.db2.gz OREKQYGPPJNMDW-CABCVRRESA-N 2 0 299.434 1.659 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC001361844900 970597033 /nfs/dbraw/zinc/59/70/33/970597033.db2.gz LSWMKIOMAADMJP-JJXSEGSLSA-N 2 0 293.455 1.850 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH2+]CCC(F)(F)F ZINC001495660004 972582902 /nfs/dbraw/zinc/58/29/02/972582902.db2.gz MHGJCESVPLLHGZ-QWRGUYRKSA-N 2 0 295.349 1.375 10 0 CDAERP CCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001495667525 972587292 /nfs/dbraw/zinc/58/72/92/972587292.db2.gz IXEKLPHRFGABCQ-YNEHKIRRSA-N 2 0 255.406 1.079 10 0 CDAERP C[C@@H](c1ccccc1)[N@H+](C)CCNC(=O)CC[NH+](C)C ZINC001372146707 972814615 /nfs/dbraw/zinc/81/46/15/972814615.db2.gz AKVIMUVEXCNNME-AWEZNQCLSA-N 2 0 277.412 1.747 10 0 CDAERP CCOCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001569651623 1169952407 /nfs/dbraw/zinc/95/24/07/1169952407.db2.gz TXQUZBUPIYFTPS-GOEBONIOSA-N 2 0 299.459 1.334 10 0 CDAERP COCC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001496817180 973108755 /nfs/dbraw/zinc/10/87/55/973108755.db2.gz UDBXAEUNEJJXAP-LSDHHAIUSA-N 2 0 299.459 1.143 10 0 CDAERP CN(C[C@@H]1CC[N@@H+]1CCCF)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001417742234 973351399 /nfs/dbraw/zinc/35/13/99/973351399.db2.gz PCJGKGKFOKZUHX-AWEZNQCLSA-N 2 0 299.434 1.753 10 0 CDAERP CC(C)CC[N@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001373317639 973362764 /nfs/dbraw/zinc/36/27/64/973362764.db2.gz UOBBGXBKPPBOCT-MRXNPFEDSA-N 2 0 295.471 1.909 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC001417809634 973397312 /nfs/dbraw/zinc/39/73/12/973397312.db2.gz AKCLKVGNXUKCGV-QLFBSQMISA-N 2 0 281.444 1.659 10 0 CDAERP CCC[NH+](CCO)[C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001417829551 973406844 /nfs/dbraw/zinc/40/68/44/973406844.db2.gz JEJTUYWFLMOUFF-HNNXBMFYSA-N 2 0 299.459 1.024 10 0 CDAERP C[C@@H](F)CC[NH2+]C/C=C\CNC(=O)CC1CC[NH+](C)CC1 ZINC001497690573 973466641 /nfs/dbraw/zinc/46/66/41/973466641.db2.gz HBGDLTWWAIONRV-VQTKUKTRSA-N 2 0 299.434 1.728 10 0 CDAERP CC(C)OCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001417913801 973471064 /nfs/dbraw/zinc/47/10/64/973471064.db2.gz BZFZCTOFVAOSLT-OAHLLOKOSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)OCC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001417913800 973472131 /nfs/dbraw/zinc/47/21/31/973472131.db2.gz BZFZCTOFVAOSLT-HNNXBMFYSA-N 2 0 297.443 1.088 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC/C=C/C[NH2+]CCC2CC2)C1 ZINC001497732695 973482340 /nfs/dbraw/zinc/48/23/40/973482340.db2.gz SRSVLPCWOKJPNN-FAAWYNLUSA-N 2 0 279.428 1.390 10 0 CDAERP C[C@H](C[NH2+]CCC1CC1)NC(=O)C1CC[NH+](C)CC1 ZINC001497898547 973569536 /nfs/dbraw/zinc/56/95/36/973569536.db2.gz AXRQQPUJJAQALZ-GFCCVEGCSA-N 2 0 267.417 1.223 10 0 CDAERP C[NH+](C)CCCC(=O)N1CCC[C@H]2C[N@H+](CCF)CC[C@H]21 ZINC001418084047 973572684 /nfs/dbraw/zinc/57/26/84/973572684.db2.gz WEBDNYPIMVLWMH-LSDHHAIUSA-N 2 0 299.434 1.611 10 0 CDAERP C[C@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)C12CC[NH+](CC1)C2 ZINC001497963311 973592526 /nfs/dbraw/zinc/59/25/26/973592526.db2.gz SPMKXCXWBWTALZ-CYBMUJFWSA-N 2 0 293.455 1.613 10 0 CDAERP CC[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CCC1CC1 ZINC001373819143 973657886 /nfs/dbraw/zinc/65/78/86/973657886.db2.gz DAJYJCIYVUTZTI-HUUCEWRRSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]Cc1nccs1 ZINC001373834817 973663764 /nfs/dbraw/zinc/66/37/64/973663764.db2.gz JOGSNOYNYNRQDR-GFCCVEGCSA-N 2 0 298.456 1.468 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC1CCC1 ZINC001418231809 973682504 /nfs/dbraw/zinc/68/25/04/973682504.db2.gz XTVSDEHWOUEXMB-HIFRSBDPSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1coc(C)n1)[NH+](C)C ZINC001374081702 973769248 /nfs/dbraw/zinc/76/92/48/973769248.db2.gz VGZLHJVCDYFKQZ-FZMZJTMJSA-N 2 0 296.415 1.165 10 0 CDAERP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccns1 ZINC001418433292 973820673 /nfs/dbraw/zinc/82/06/73/973820673.db2.gz PGDVMCZPKIZBCZ-VXGBXAGGSA-N 2 0 296.440 1.079 10 0 CDAERP CN(CCC[NH2+]CCF)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001498659103 974013423 /nfs/dbraw/zinc/01/34/23/974013423.db2.gz UMGOBFYAXGDOQB-UHFFFAOYSA-N 2 0 295.402 1.769 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC1CCC1 ZINC001374981096 974200137 /nfs/dbraw/zinc/20/01/37/974200137.db2.gz HBDOSXZMYPLKRJ-ZFWWWQNUSA-N 2 0 281.444 1.755 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC2CC2)CC1 ZINC001499183925 974207684 /nfs/dbraw/zinc/20/76/84/974207684.db2.gz NAGDGWTXFOPVGK-ZDUSSCGKSA-N 2 0 265.401 1.119 10 0 CDAERP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC[C@H](C)F)CC1 ZINC001499225514 974218571 /nfs/dbraw/zinc/21/85/71/974218571.db2.gz DOIBPXFFVYXTQG-KBPBESRZSA-N 2 0 299.434 1.846 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1([NH2+]CCF)CC1 ZINC001499254294 974223847 /nfs/dbraw/zinc/22/38/47/974223847.db2.gz MFVUCKCZOYTWKS-LBPRGKRZSA-N 2 0 271.380 1.069 10 0 CDAERP Cc1ccccc1C[NH2+]C1(CNC(=O)CC[NH+](C)C)CC1 ZINC001499336482 974238897 /nfs/dbraw/zinc/23/88/97/974238897.db2.gz VFLYWKHGMCFAFQ-UHFFFAOYSA-N 2 0 289.423 1.685 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+]2CCC(C)(C)C)C1 ZINC001375347001 974347315 /nfs/dbraw/zinc/34/73/15/974347315.db2.gz MNUHVHBGXRTFMA-CABCVRRESA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H]1CCN1C/C=C/Cl ZINC001375484553 974402921 /nfs/dbraw/zinc/40/29/21/974402921.db2.gz QMXKGUXOCSAFKF-IYNGYCSASA-N 2 0 287.835 1.612 10 0 CDAERP C[C@H]([NH2+]CCCF)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001501066760 974526500 /nfs/dbraw/zinc/52/65/00/974526500.db2.gz JLQWVQKAHUIXLK-DZGCQCFKSA-N 2 0 299.434 1.514 10 0 CDAERP CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001501569446 974601723 /nfs/dbraw/zinc/60/17/23/974601723.db2.gz YGEYZMVBIKYNEF-RBSFLKMASA-N 2 0 281.444 1.565 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001376291649 974622575 /nfs/dbraw/zinc/62/25/75/974622575.db2.gz JBCZEZMZHGVDLB-HUUCEWRRSA-N 2 0 283.460 1.907 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1C[C@H]([NH2+]C/C=C/Cl)C1 ZINC001376405539 974652893 /nfs/dbraw/zinc/65/28/93/974652893.db2.gz IPLVDJCAWQVGEI-BFEZERJQSA-N 2 0 299.846 1.849 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001376479757 974671451 /nfs/dbraw/zinc/67/14/51/974671451.db2.gz SKLISOIPQFGMEO-XDQVBPFNSA-N 2 0 285.407 1.313 10 0 CDAERP CO[C@@H](C)C[NH2+]C1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001376672112 974707707 /nfs/dbraw/zinc/70/77/07/974707707.db2.gz UQBWFVCRYIZWRK-NFOMZHRRSA-N 2 0 297.443 1.134 10 0 CDAERP C[C@@H](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]C/C=C\Cl ZINC001503200495 974815771 /nfs/dbraw/zinc/81/57/71/974815771.db2.gz YTHPRNWYFZSYEZ-ABHGAVNNSA-N 2 0 299.846 1.565 10 0 CDAERP CC[C@@H](C)C[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001376979095 974825777 /nfs/dbraw/zinc/82/57/77/974825777.db2.gz NHFMXUNUJGGSHD-CABCVRRESA-N 2 0 283.460 1.907 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001505410692 974863857 /nfs/dbraw/zinc/86/38/57/974863857.db2.gz PKDPDWXUXBQNDK-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccccc1 ZINC001377109483 974886212 /nfs/dbraw/zinc/88/62/12/974886212.db2.gz NCGBHUULLGDBHO-OAHLLOKOSA-N 2 0 289.423 1.767 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CCF)C1 ZINC001505497423 974895604 /nfs/dbraw/zinc/89/56/04/974895604.db2.gz HNWOLNQNWNXURV-RUXDESIVSA-N 2 0 285.407 1.313 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC(C[NH2+]C/C=C/Cl)C1 ZINC001505512337 974898591 /nfs/dbraw/zinc/89/85/91/974898591.db2.gz PWXZBLRKIUJRAZ-IWHMDFBKSA-N 2 0 285.819 1.318 10 0 CDAERP C[N@H+](CCNC(=O)CC[C@H]1CCC[NH+]1C)CCC1CC1 ZINC001377173514 974914342 /nfs/dbraw/zinc/91/43/42/974914342.db2.gz MVJVDQOMVAHJKQ-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP C[N@H+](CCCF)CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001377231239 974936729 /nfs/dbraw/zinc/93/67/29/974936729.db2.gz WARQIAJQSKJTAK-UONOGXRCSA-N 2 0 285.407 1.411 10 0 CDAERP CC[N@H+](C)CCC(=O)NCC[NH+](C)C[C@H]1CCO[C@@H](C)C1 ZINC001377239797 974942287 /nfs/dbraw/zinc/94/22/87/974942287.db2.gz CFLNMBDFHFLJQD-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)C[C@H](C)C[N@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001377262659 974949148 /nfs/dbraw/zinc/94/91/48/974949148.db2.gz XLYMFCNLAPMUHX-HNNXBMFYSA-N 2 0 283.460 1.812 10 0 CDAERP CCc1nocc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001505684396 974963120 /nfs/dbraw/zinc/96/31/20/974963120.db2.gz AWLKDBMLXHIXGA-NWDGAFQWSA-N 2 0 296.415 1.172 10 0 CDAERP Cc1ncc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@@H+](C)C(C)C)o1 ZINC001505760832 974985420 /nfs/dbraw/zinc/98/54/20/974985420.db2.gz PIFMLNVRPXUQSR-RYUDHWBXSA-N 2 0 296.415 1.306 10 0 CDAERP CC(C)CCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001506057258 975101938 /nfs/dbraw/zinc/10/19/38/975101938.db2.gz XZKINUIZISTIOY-LSDHHAIUSA-N 2 0 283.460 1.811 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001377833222 975150945 /nfs/dbraw/zinc/15/09/45/975150945.db2.gz MRHCPKXZVUGWRH-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP CC[NH2+]CC(C)(C)CN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001377972759 975189947 /nfs/dbraw/zinc/18/99/47/975189947.db2.gz PZRQOQVETHTUJB-KBPBESRZSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001506802872 975225274 /nfs/dbraw/zinc/22/52/74/975225274.db2.gz JRLNWTSCABLVIP-PHZGNYQRSA-N 2 0 295.471 1.668 10 0 CDAERP C[C@H](C(=O)NC[C@H](C)[N@H+](C)CCCO)[NH+]1CCCCCC1 ZINC001378151148 975262610 /nfs/dbraw/zinc/26/26/10/975262610.db2.gz HWCIQUSJDILYFV-LSDHHAIUSA-N 2 0 299.459 1.070 10 0 CDAERP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccccc1F ZINC001378307256 975326743 /nfs/dbraw/zinc/32/67/43/975326743.db2.gz XXQPGSBCTYYFJH-AWEZNQCLSA-N 2 0 295.402 1.762 10 0 CDAERP COC[C@@H](C)[N@H+](C)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001404624337 975441165 /nfs/dbraw/zinc/44/11/65/975441165.db2.gz YGMNIZCJSGGIQZ-CQSZACIVSA-N 2 0 299.459 1.143 10 0 CDAERP CC[C@H](F)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001378893482 975531822 /nfs/dbraw/zinc/53/18/22/975531822.db2.gz DYOZDTWTYQYHNM-ZFWWWQNUSA-N 2 0 299.434 1.752 10 0 CDAERP CC[C@H](F)C[N@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001378893474 975533345 /nfs/dbraw/zinc/53/33/45/975533345.db2.gz DYOZDTWTYQYHNM-DZGCQCFKSA-N 2 0 299.434 1.752 10 0 CDAERP C[C@H](F)CC[NH+]1CC(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001404953073 975552138 /nfs/dbraw/zinc/55/21/38/975552138.db2.gz VPOBZRZWFGPHEH-AWEZNQCLSA-N 2 0 299.434 1.659 10 0 CDAERP CCC[N@H+](C)CCC(=O)NCC1=CC[NH+](C(C)C)CC1 ZINC001508229613 975645863 /nfs/dbraw/zinc/64/58/63/975645863.db2.gz NWOMHNBWEMUSBB-UHFFFAOYSA-N 2 0 281.444 1.875 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001405593581 975780387 /nfs/dbraw/zinc/78/03/87/975780387.db2.gz NJJBYDGCEXEKRX-LSDHHAIUSA-N 2 0 293.455 1.709 10 0 CDAERP C[C@@H](C[NH2+]Cc1cncc(F)c1)NC(=O)CCC[NH+](C)C ZINC001401703368 975812248 /nfs/dbraw/zinc/81/22/48/975812248.db2.gz VVGZKAMQIYCBMX-LBPRGKRZSA-N 2 0 296.390 1.157 10 0 CDAERP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@H+](C)CC1CCOCC1 ZINC001401815334 975932858 /nfs/dbraw/zinc/93/28/58/975932858.db2.gz CPKSCQDEFSIKSG-AWEZNQCLSA-N 2 0 299.459 1.190 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@]12CCC[C@@H]1[N@H+](CCF)CC2 ZINC001379625578 975964429 /nfs/dbraw/zinc/96/44/29/975964429.db2.gz LSOQRQCQVYKITK-GXTWGEPZSA-N 2 0 271.380 1.021 10 0 CDAERP CC(C)[NH2+][C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001398392438 975967759 /nfs/dbraw/zinc/96/77/59/975967759.db2.gz KPYUAVSEPBKXEC-GJZGRUSLSA-N 2 0 281.444 1.754 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cccnc2)C1 ZINC001389823968 976003541 /nfs/dbraw/zinc/00/35/41/976003541.db2.gz FKMSHMKLEZKFEE-HNNXBMFYSA-N 2 0 290.411 1.112 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001379686981 976008817 /nfs/dbraw/zinc/00/88/17/976008817.db2.gz HKLKCAOSDRPXCQ-GJZGRUSLSA-N 2 0 293.455 1.613 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC[C@@H](C)F)C1 ZINC001398534524 976022783 /nfs/dbraw/zinc/02/27/83/976022783.db2.gz GKZQBRSEORLGBF-KBUPBQIOSA-N 2 0 299.434 1.846 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2nocc2C)C1 ZINC001389898840 976038111 /nfs/dbraw/zinc/03/81/11/976038111.db2.gz KOXCJHFKDXTQTB-JOCQHMNTSA-N 2 0 294.399 1.062 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]1CCC[N@H+](CCC2CC2)C1)[NH+](C)C ZINC001398696756 976113047 /nfs/dbraw/zinc/11/30/47/976113047.db2.gz MJDJAORMOCVTGK-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP Cc1ncc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)s1 ZINC001406458041 976200199 /nfs/dbraw/zinc/20/01/99/976200199.db2.gz XCNXTHMNERYKKF-GWCFXTLKSA-N 2 0 296.440 1.140 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NC[C@H]([NH2+]CC2CC2)C2CC2)CC[N@@H+]1C ZINC001402341964 976243765 /nfs/dbraw/zinc/24/37/65/976243765.db2.gz SFKYPVKMGZZYNK-RCBQFDQVSA-N 2 0 293.455 1.611 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCCN(C)C/C=C\Cl ZINC001492878725 976295696 /nfs/dbraw/zinc/29/56/96/976295696.db2.gz MFEUVOPSJFTQPV-WAYWQWQTSA-N 2 0 261.797 1.127 10 0 CDAERP CC(C)CC[NH2+][C@H](C)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001399111576 976343919 /nfs/dbraw/zinc/34/39/19/976343919.db2.gz LPLNZWFOMVNPKZ-HUUCEWRRSA-N 2 0 299.459 1.095 10 0 CDAERP C[NH+](C)CCC(=O)NCC1([NH2+]Cc2ccccc2)CCC1 ZINC001402575016 976373006 /nfs/dbraw/zinc/37/30/06/976373006.db2.gz LZPLITZVHSNZFF-UHFFFAOYSA-N 2 0 289.423 1.767 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001399244360 976393865 /nfs/dbraw/zinc/39/38/65/976393865.db2.gz ZTONIYLONOOZIE-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)CC[C@@H](C)F)CC[N@@H+]1C ZINC001390766712 976491677 /nfs/dbraw/zinc/49/16/77/976491677.db2.gz OWLDXWLOXREZMB-HZSPNIEDSA-N 2 0 287.423 1.513 10 0 CDAERP Cc1nc[nH]c1CC(=O)NCC[N@@H+](C)CC1CC(C)(C)C1 ZINC001390851532 976559541 /nfs/dbraw/zinc/55/95/41/976559541.db2.gz VQXIFNIPRQLAAR-UHFFFAOYSA-N 2 0 292.427 1.745 10 0 CDAERP CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001407535333 976690877 /nfs/dbraw/zinc/69/08/77/976690877.db2.gz LYTJGNJLOUQTEJ-LSDHHAIUSA-N 2 0 281.444 1.566 10 0 CDAERP Cc1cc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)cs1 ZINC001403134837 976751833 /nfs/dbraw/zinc/75/18/33/976751833.db2.gz JICRZIZAJOFFBD-FZMZJTMJSA-N 2 0 295.452 1.603 10 0 CDAERP CC(C)CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001391196470 976755177 /nfs/dbraw/zinc/75/51/77/976755177.db2.gz JOYPFQAHOIZYFU-AWEZNQCLSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001399938436 976760980 /nfs/dbraw/zinc/76/09/80/976760980.db2.gz ZQVXTNXFNLSERX-ZIAGYGMSSA-N 2 0 299.434 1.514 10 0 CDAERP C[C@H](F)CC[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001391381454 976849991 /nfs/dbraw/zinc/84/99/91/976849991.db2.gz WUZQHZIHQQSTNO-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+]CCC(F)(F)F ZINC001403434612 976952018 /nfs/dbraw/zinc/95/20/18/976952018.db2.gz QCMORFLMARQUBM-SNVBAGLBSA-N 2 0 283.338 1.375 10 0 CDAERP C[C@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]C/C=C\Cl ZINC001403466953 976968278 /nfs/dbraw/zinc/96/82/78/976968278.db2.gz NLWBICLXOXXMSI-DBGMKRSLSA-N 2 0 285.819 1.319 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)NC1C[NH+](CC2CCCC2)C1 ZINC001400348341 976998011 /nfs/dbraw/zinc/99/80/11/976998011.db2.gz IHDBWAGADPKXRB-OAHLLOKOSA-N 2 0 299.434 1.657 10 0 CDAERP CC[C@@H](C)C[NH+]1CC([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001381821460 977040968 /nfs/dbraw/zinc/04/09/68/977040968.db2.gz SNJHIBWQQBWHBP-KGLIPLIRSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[NH2+]CCF ZINC001391696842 977051179 /nfs/dbraw/zinc/05/11/79/977051179.db2.gz TXGBLZSRIFIWMI-QWHCGFSZSA-N 2 0 273.396 1.313 10 0 CDAERP CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1cnoc1C)[NH+](C)C ZINC001403568277 977070001 /nfs/dbraw/zinc/07/00/01/977070001.db2.gz KQMMMBXYASDTEV-BXUZGUMPSA-N 2 0 296.415 1.260 10 0 CDAERP CC[C@@H](F)C[NH2+]CC1(NC(=O)[C@@H]2CCC[N@@H+]2C)CCCC1 ZINC001391760200 977089830 /nfs/dbraw/zinc/08/98/30/977089830.db2.gz ASARZSMBUSDHDZ-KGLIPLIRSA-N 2 0 299.434 1.847 10 0 CDAERP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]C/C=C\Cl ZINC001382053988 977139681 /nfs/dbraw/zinc/13/96/81/977139681.db2.gz CTPQEMGJCIOUIH-OXTPZFROSA-N 2 0 273.808 1.270 10 0 CDAERP C[NH+](CC(=O)NCC[N@@H+](C)C[C@H]1CCOC1)CC(C)(C)C ZINC001403686282 977141750 /nfs/dbraw/zinc/14/17/50/977141750.db2.gz NCCOMXPRBGYXSD-CQSZACIVSA-N 2 0 299.459 1.049 10 0 CDAERP CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]C[C@H]1CCCOC1 ZINC001400931689 977248734 /nfs/dbraw/zinc/24/87/34/977248734.db2.gz ZBTQWILFVGXYEW-CABCVRRESA-N 2 0 299.459 1.238 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCC[NH+]2C/C=C/Cl)C1 ZINC001404028442 977312322 /nfs/dbraw/zinc/31/23/22/977312322.db2.gz VNEPZNNRXFUELD-IVDJAJHCSA-N 2 0 299.846 1.661 10 0 CDAERP C[C@@]1(C[NH2+]CC2CC2)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001393167521 977723843 /nfs/dbraw/zinc/72/38/43/977723843.db2.gz YVLZRMLCGRDRPR-INIZCTEOSA-N 2 0 291.439 1.320 10 0 CDAERP CC(C)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001393957626 977983909 /nfs/dbraw/zinc/98/39/09/977983909.db2.gz ZNXDHKDOPUWMPA-UONOGXRCSA-N 2 0 281.444 1.754 10 0 CDAERP C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1C[NH+](CC2CC2)C1 ZINC001394244196 978114170 /nfs/dbraw/zinc/11/41/70/978114170.db2.gz MAXYGYOEUGGTQH-ZDUSSCGKSA-N 2 0 293.455 1.707 10 0 CDAERP CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1cccnc1)[NH+](C)C ZINC001394496005 978182710 /nfs/dbraw/zinc/18/27/10/978182710.db2.gz MVUFKGSHCXSCMH-UKRRQHHQSA-N 2 0 292.427 1.358 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]([NH2+]C/C=C/Cl)C(C)(C)C2)C1 ZINC001394717715 978238584 /nfs/dbraw/zinc/23/85/84/978238584.db2.gz SCCKUMAQXGPKJD-VFQZCJPISA-N 2 0 299.846 1.517 10 0 CDAERP CC(C)=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001675539396 1174124953 /nfs/dbraw/zinc/12/49/53/1174124953.db2.gz OYOYBAHZZGODRY-PHZGNYQRSA-N 2 0 293.455 1.588 10 0 CDAERP CC(C)[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001676368711 1174214644 /nfs/dbraw/zinc/21/46/44/1174214644.db2.gz JLJOZSOQCWRHCY-STQMWFEESA-N 2 0 255.406 1.316 10 0 CDAERP CCCCC[NH2+][C@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001676481634 1174231018 /nfs/dbraw/zinc/23/10/18/1174231018.db2.gz UIXWJNYTNIEDOU-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP CCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1(C)C ZINC001677023815 1174309533 /nfs/dbraw/zinc/30/95/33/1174309533.db2.gz PMTTUHFTWNESPE-LSDHHAIUSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001571153265 1170342149 /nfs/dbraw/zinc/34/21/49/1170342149.db2.gz ZGWAAEDDZIQCOG-IHRRRGAJSA-N 2 0 269.433 1.469 10 0 CDAERP [NH3+]C1CCC([NH3+])(c2ncc(Br)cn2)CC1 ZINC000675072930 539085245 /nfs/dbraw/zinc/08/52/45/539085245.db2.gz DSFMSJNGUNJLRG-UHFFFAOYSA-N 2 0 271.162 1.294 10 0 CDAERP C[C@H]1CCC[N@H+](CCNC(=O)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000618555329 349480243 /nfs/dbraw/zinc/48/02/43/349480243.db2.gz UBBTWJQVSGZSLP-UONOGXRCSA-N 2 0 282.432 1.112 10 0 CDAERP CC[NH2+]Cc1ccccc1NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000124575181 187144175 /nfs/dbraw/zinc/14/41/75/187144175.db2.gz LIBXNNAPNJXXLY-ZDUSSCGKSA-N 2 0 261.369 1.877 10 0 CDAERP CN(CCC[NH3+])C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000561190807 293060433 /nfs/dbraw/zinc/06/04/33/293060433.db2.gz AHWUCGXQTLKAFQ-UHFFFAOYSA-N 2 0 270.421 1.097 10 0 CDAERP Cc1nn(C)c2ncc(C[NH2+]CCC3(C[NH3+])CC3)cc12 ZINC000650712812 398155569 /nfs/dbraw/zinc/15/55/69/398155569.db2.gz VVGBMIQWCOIPPM-UHFFFAOYSA-N 2 0 273.384 1.495 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCC2(C[NH3+])CC2)[C@H]2CCC[C@@H]21 ZINC000650746961 398173649 /nfs/dbraw/zinc/17/36/49/398173649.db2.gz OKVRPKNDTJZKIK-RDBSUJKOSA-N 3 0 251.418 1.578 10 0 CDAERP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C1CC1)[C@@H]1CNCCO1 ZINC000650756138 398179273 /nfs/dbraw/zinc/17/92/73/398179273.db2.gz VHWCWZZCZVWAIS-IRXDYDNUSA-N 2 0 289.423 1.263 10 0 CDAERP [NH3+]CCCN1CC[NH+]([C@@H]2CCc3ccccc32)CC1 ZINC000039172160 342551202 /nfs/dbraw/zinc/55/12/02/342551202.db2.gz NLBPXMUQWMEGRD-MRXNPFEDSA-N 2 0 259.397 1.640 10 0 CDAERP COC[C@H](C)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000650723594 398162762 /nfs/dbraw/zinc/16/27/62/398162762.db2.gz QNLLVLHFUQOCFQ-BARDWOONSA-N 2 0 270.417 1.630 10 0 CDAERP CC(C)OC(=O)CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601334734 342555198 /nfs/dbraw/zinc/55/51/98/342555198.db2.gz MZIUSEHTFIEJJK-CHWSQXEVSA-N 2 0 254.374 1.402 10 0 CDAERP CC[C@H](Cn1cncn1)[NH2+]CCC1CC[NH2+]CC1 ZINC000650763048 398184682 /nfs/dbraw/zinc/18/46/82/398184682.db2.gz PORJSPJJEOPDCP-CYBMUJFWSA-N 2 0 251.378 1.036 10 0 CDAERP CC(C)[NH+](CCNC(=O)[C@@]1(C)CCCC[NH2+]1)C(C)C ZINC000136193680 342071565 /nfs/dbraw/zinc/07/15/65/342071565.db2.gz WAFQFAQKKVJYDX-OAHLLOKOSA-N 2 0 269.433 1.754 10 0 CDAERP [NH3+]CCN1CC[NH2+][C@@H](c2cccc3cccnc32)C1 ZINC000616656899 342124750 /nfs/dbraw/zinc/12/47/50/342124750.db2.gz UVJYGWHQYIKOMJ-CQSZACIVSA-N 2 0 256.353 1.140 10 0 CDAERP CCOC(=O)CC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000592479416 342699442 /nfs/dbraw/zinc/69/94/42/342699442.db2.gz XKIIURJHZAJEOH-QWHCGFSZSA-N 2 0 254.374 1.404 10 0 CDAERP CCC(CC)[C@H](CNC(=O)C[C@@H](C[NH3+])OC)[NH+]1CCCC1 ZINC000262916839 361885230 /nfs/dbraw/zinc/88/52/30/361885230.db2.gz RJDHHSJTEYTRBH-GJZGRUSLSA-N 2 0 299.459 1.367 10 0 CDAERP [NH3+]C1(C[NH2+]Cc2cccc3c2CCC3)CCOCC1 ZINC000629389434 361894912 /nfs/dbraw/zinc/89/49/12/361894912.db2.gz MXVATCCAKDFKLS-UHFFFAOYSA-N 2 0 260.381 1.773 10 0 CDAERP C[C@H](CC(=O)Nc1ccccc1)[NH2+]CC1([NH3+])CCOCC1 ZINC000629387654 361902048 /nfs/dbraw/zinc/90/20/48/361902048.db2.gz KSHOTYIFBQWATN-CYBMUJFWSA-N 2 0 291.395 1.501 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000629397911 361929292 /nfs/dbraw/zinc/92/92/92/361929292.db2.gz GQTZNULWZJHJFS-UHFFFAOYSA-N 2 0 274.368 1.532 10 0 CDAERP CCC[C@@H](C(=O)NC[C@H]1CC[N@H+](CC)C1)[NH+](C)C ZINC000137586543 361939253 /nfs/dbraw/zinc/93/92/53/361939253.db2.gz HCLSGGLEJFFRBW-OLZOCXBDSA-N 2 0 255.406 1.175 10 0 CDAERP C[C@@H]([NH3+])C[C@H](C)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000567383272 361956199 /nfs/dbraw/zinc/95/61/99/361956199.db2.gz VGDQZEAXCGEQNI-UCEQBCCISA-N 2 0 268.405 1.037 10 0 CDAERP C[NH2+]CCOCC[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000629404859 361946907 /nfs/dbraw/zinc/94/69/07/361946907.db2.gz RQDRMKURAIHKCL-RDJZCZTQSA-N 3 0 297.487 1.855 10 0 CDAERP CCOC(=O)c1cccc([C@@H]2CCN(CC[NH3+])C2)c1 ZINC000616614371 361950460 /nfs/dbraw/zinc/95/04/60/361950460.db2.gz LJVXAEYHDMKDAC-CQSZACIVSA-N 2 0 262.353 1.611 10 0 CDAERP O[C@@H](C[NH2+]C(C1CC1)C1CC1)C[NH+]1CCCCC1 ZINC000151265621 539073336 /nfs/dbraw/zinc/07/33/36/539073336.db2.gz ZPNIGSGXQLPKBF-AWEZNQCLSA-N 2 0 252.402 1.611 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000594926604 342973588 /nfs/dbraw/zinc/97/35/88/342973588.db2.gz UJXFKDYQMRAWAD-REWJHTLYSA-N 2 0 268.401 1.506 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000594946990 342981102 /nfs/dbraw/zinc/98/11/02/342981102.db2.gz VPRYXPLQFBOTQB-MRVWCRGKSA-N 2 0 268.401 1.648 10 0 CDAERP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000594922971 342988004 /nfs/dbraw/zinc/98/80/04/342988004.db2.gz COPRZLPABIXHKQ-BYCMXARLSA-N 2 0 280.412 1.648 10 0 CDAERP COC(=O)c1cnoc1CN1CCC(c2ncc[nH]2)CC1 ZINC000351878956 362034696 /nfs/dbraw/zinc/03/46/96/362034696.db2.gz UBCKNBDLTMJKRR-UHFFFAOYSA-N 2 0 290.323 1.564 10 0 CDAERP CC1CC[NH+](CC(=O)NCCCC[NH+](C)C)CC1 ZINC000354860253 365734850 /nfs/dbraw/zinc/73/48/50/365734850.db2.gz DYPKHEJYMROGTH-UHFFFAOYSA-N 2 0 255.406 1.176 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H](n1cccn1)C(F)(F)F ZINC000629514606 362130555 /nfs/dbraw/zinc/13/05/55/362130555.db2.gz MCGJYWGGYDPTIH-LPEHRKFASA-N 2 0 264.295 1.702 10 0 CDAERP C[N@H+](CCOC1CCOCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000629516449 362132872 /nfs/dbraw/zinc/13/28/72/362132872.db2.gz GCQLXEOAAQZBBU-PBWFPOADSA-N 2 0 268.401 1.397 10 0 CDAERP [NH3+]C1(CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CCOCC1 ZINC000629521223 362136264 /nfs/dbraw/zinc/13/62/64/362136264.db2.gz OFPQHQLTQHPKOG-SOUVJXGZSA-N 2 0 281.444 1.395 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000629530258 362158881 /nfs/dbraw/zinc/15/88/81/362158881.db2.gz AXPMPKCBSZMWMK-UONOGXRCSA-N 2 0 280.416 1.272 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc(OC)c(O)c1 ZINC000629530803 362160264 /nfs/dbraw/zinc/16/02/64/362160264.db2.gz RSHYALWUFCACNH-NSHDSACASA-N 2 0 268.357 1.287 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](c1cccnc1)C(C)C ZINC000629529976 362161660 /nfs/dbraw/zinc/16/16/60/362161660.db2.gz RVJVASVTSXIRGQ-CQSZACIVSA-N 2 0 251.374 1.604 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000629529930 362162017 /nfs/dbraw/zinc/16/20/17/362162017.db2.gz QRNYBYDXYPLJPD-MRXNPFEDSA-N 2 0 262.397 1.833 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccccc1CC[NH3+] ZINC000251704291 344053666 /nfs/dbraw/zinc/05/36/66/344053666.db2.gz JBSIJNHKVPRGHB-HIFRSBDPSA-N 2 0 287.407 1.497 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H](C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)C1 ZINC000249134622 362345877 /nfs/dbraw/zinc/34/58/77/362345877.db2.gz UESOBKZPHSOEKD-JHJVBQTASA-N 2 0 265.401 1.247 10 0 CDAERP C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000404959944 345335788 /nfs/dbraw/zinc/33/57/88/345335788.db2.gz PCIBECYXAQUBFJ-AVGNSLFASA-N 2 0 253.390 1.057 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000607280547 345335838 /nfs/dbraw/zinc/33/58/38/345335838.db2.gz WKCTWVRIMLEFDP-CHWSQXEVSA-N 2 0 293.415 1.256 10 0 CDAERP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]CCSCc1ccccc1 ZINC000263294212 362662129 /nfs/dbraw/zinc/66/21/29/362662129.db2.gz WCTAKXBRENYDQL-ZIAGYGMSSA-N 2 0 266.410 1.090 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(C(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000079521444 362660882 /nfs/dbraw/zinc/66/08/82/362660882.db2.gz UGQWNFJDDFEKTC-GXTWGEPZSA-N 2 0 253.390 1.071 10 0 CDAERP CN1Cc2ccccc2[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000623240761 345743417 /nfs/dbraw/zinc/74/34/17/345743417.db2.gz VEFRSIWWNRFFNG-MMTVNHQJSA-N 2 0 299.418 1.677 10 0 CDAERP CC[N@H+](CCCO)C[C@@H](O)CN(C)Cc1ccccc1 ZINC000608510364 345781179 /nfs/dbraw/zinc/78/11/79/345781179.db2.gz GLSBGADGIVIVLE-INIZCTEOSA-N 2 0 280.412 1.184 10 0 CDAERP CC(C)[NH2+][C@@](CO)(CN(C)CCC[NH+](C)C)C1CC1 ZINC000085212163 178974716 /nfs/dbraw/zinc/97/47/16/178974716.db2.gz ZTGBRLIFSJHJKE-OAHLLOKOSA-N 2 0 271.449 1.009 10 0 CDAERP C[C@H](C[C@](C)(O)C[NH3+])[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000085300350 179010480 /nfs/dbraw/zinc/01/04/80/179010480.db2.gz QPVNHZZFBXFJKJ-BARDWOONSA-N 2 0 254.418 1.987 10 0 CDAERP C[C@H](C[C@](C)(O)C[NH3+])N1CC[NH+](C2CCCC2)CC1 ZINC000085302331 179010964 /nfs/dbraw/zinc/01/09/64/179010964.db2.gz LQFNEHOJCMLHBU-HIFRSBDPSA-N 2 0 269.433 1.035 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000085359743 179031727 /nfs/dbraw/zinc/03/17/27/179031727.db2.gz XXUWDFRIJQXIBZ-HUUCEWRRSA-N 2 0 281.444 1.885 10 0 CDAERP CC1CC[NH+](CCCNC(=O)[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000085371331 179041150 /nfs/dbraw/zinc/04/11/50/179041150.db2.gz WEGDATRYFGIIDV-KBPBESRZSA-N 2 0 267.417 1.352 10 0 CDAERP CCc1nc2c(n1[C@H](C)C[NH+]1CCCC1)CC[NH2+]C2 ZINC000085573494 179097901 /nfs/dbraw/zinc/09/79/01/179097901.db2.gz AOJBBNIHPOPROJ-GFCCVEGCSA-N 2 0 262.401 1.748 10 0 CDAERP CC[N@H+](C)CCn1c2c(nc1C(C)C)C[NH2+]CC2 ZINC000085571010 179096627 /nfs/dbraw/zinc/09/66/27/179096627.db2.gz KLGIBACRVUZSAF-UHFFFAOYSA-N 2 0 250.390 1.604 10 0 CDAERP [NH3+]C[C@H]1c2ccccc2CCN1CC[C@@H]1CC[NH2+]C1 ZINC000566245915 370657740 /nfs/dbraw/zinc/65/77/40/370657740.db2.gz ZDYMYPZJTVBACV-BBRMVZONSA-N 2 0 259.397 1.544 10 0 CDAERP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623494987 347604114 /nfs/dbraw/zinc/60/41/14/347604114.db2.gz MAFMPAICNWZFNV-HOTGVXAUSA-N 3 0 296.503 1.475 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCn3ccnc3C2)CC1(C)C ZINC000623497015 347605190 /nfs/dbraw/zinc/60/51/90/347605190.db2.gz UAJURPLMLHFBRB-OLZOCXBDSA-N 2 0 262.401 1.660 10 0 CDAERP CO[C@@H]1COCC[C@H]1C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623538139 347621593 /nfs/dbraw/zinc/62/15/93/347621593.db2.gz YJUTVBXSMJOVSG-BFHYXJOUSA-N 2 0 270.417 1.500 10 0 CDAERP COC[C@H](CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)OC ZINC000623563404 347634351 /nfs/dbraw/zinc/63/43/51/347634351.db2.gz XIRIJCYXHDXVQK-STQMWFEESA-N 2 0 258.406 1.500 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000623584952 347647204 /nfs/dbraw/zinc/64/72/04/347647204.db2.gz YJESVLDDRAMKRY-SOUVJXGZSA-N 2 0 296.459 1.643 10 0 CDAERP O=C(NCc1ccc2c[nH+]cn2c1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000636016503 362892826 /nfs/dbraw/zinc/89/28/26/362892826.db2.gz PNXXBYCUHPAJQS-CHWSQXEVSA-N 2 0 281.319 1.477 10 0 CDAERP C[C@H]1CN(CC[N@H+](C)Cc2ccccc2)CC[NH+]1CCO ZINC000450780983 362908508 /nfs/dbraw/zinc/90/85/08/362908508.db2.gz RNMOUXBVDSQVOZ-INIZCTEOSA-N 2 0 291.439 1.117 10 0 CDAERP CC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1CCCC1 ZINC000064508655 348943066 /nfs/dbraw/zinc/94/30/66/348943066.db2.gz ARIBECLPRJISKK-UHFFFAOYSA-N 2 0 293.455 1.994 10 0 CDAERP CC(C)[C@H]([NH2+]CCOCCC[NH3+])c1cccnc1 ZINC000629535986 362949674 /nfs/dbraw/zinc/94/96/74/362949674.db2.gz DXXFCIPKGIGYRE-AWEZNQCLSA-N 2 0 251.374 1.734 10 0 CDAERP CC[N@@H+]1CCN([C@@H](C[NH3+])c2ccc(F)cc2)C[C@@H]1C ZINC000107904086 186196380 /nfs/dbraw/zinc/19/63/80/186196380.db2.gz SBXHQQFQEASEDU-WFASDCNBSA-N 2 0 265.376 1.852 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+]Cc2cnc(C)o2)CC1 ZINC000628232888 362963401 /nfs/dbraw/zinc/96/34/01/362963401.db2.gz SXLASTOIXRJORA-UHFFFAOYSA-N 2 0 266.389 1.100 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)CC1 ZINC000337408542 282712784 /nfs/dbraw/zinc/71/27/84/282712784.db2.gz VOXGMIFEXPRAGW-MCIONIFRSA-N 2 0 252.402 1.611 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])[NH2+]CC(C)(C)C(=O)N1CCCC1 ZINC000629545093 362970492 /nfs/dbraw/zinc/97/04/92/362970492.db2.gz BFCDZJKSVDEWKF-NWDGAFQWSA-N 2 0 255.406 1.350 10 0 CDAERP [NH3+]CC12CCC(CC1)CN2C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621668094 350703492 /nfs/dbraw/zinc/70/34/92/350703492.db2.gz UOPVVMPRFFWITH-HLIUYOAVSA-N 2 0 279.428 1.496 10 0 CDAERP COc1cncc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000629548794 362976840 /nfs/dbraw/zinc/97/68/40/362976840.db2.gz YMRIKBRUDFDOLS-AWEZNQCLSA-N 2 0 290.411 1.697 10 0 CDAERP COc1ccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cn1 ZINC000621775676 350772349 /nfs/dbraw/zinc/77/23/49/350772349.db2.gz WOKJCPYUCPIIFL-HNNXBMFYSA-N 2 0 275.396 1.912 10 0 CDAERP CN1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000629550242 362984185 /nfs/dbraw/zinc/98/41/85/362984185.db2.gz KKSZOYQVQYTHOI-CAOSSQGBSA-N 2 0 265.445 1.981 10 0 CDAERP O=C1[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCN1C1CCC1 ZINC000629556762 362986368 /nfs/dbraw/zinc/98/63/68/362986368.db2.gz YKNGQEJVSIGWAW-KYEXWDHISA-N 2 0 277.412 1.118 10 0 CDAERP CC(C)(C[NH2+]C[C@@H](O)C[NH+]1CCCC1)[C@@H]1CCCCO1 ZINC000629567604 363018242 /nfs/dbraw/zinc/01/82/42/363018242.db2.gz PQANWGZGRLRPRT-CABCVRRESA-N 2 0 284.444 1.628 10 0 CDAERP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[C@@H]1CCCCO1 ZINC000623921414 351330833 /nfs/dbraw/zinc/33/08/33/351330833.db2.gz WPHRFVUIPAVDEE-ORQFMDKSSA-N 2 0 296.455 1.911 10 0 CDAERP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[C@@H]1CCCCO1 ZINC000623921417 351331171 /nfs/dbraw/zinc/33/11/71/351331171.db2.gz WPHRFVUIPAVDEE-SVGFKBNWSA-N 2 0 296.455 1.911 10 0 CDAERP CN1CCC[C@H]1C[NH2+]Cc1ccc2c(c1)nnn2C ZINC000623785764 351276589 /nfs/dbraw/zinc/27/65/89/351276589.db2.gz IOMQMKRNNRIEJS-LBPRGKRZSA-N 2 0 259.357 1.152 10 0 CDAERP [NH3+][C@@H]1CC=C(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC000637798030 366053935 /nfs/dbraw/zinc/05/39/35/366053935.db2.gz FCFOVIPFYUDHJY-QGZVFWFLSA-N 2 0 299.418 1.768 10 0 CDAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC[C@@H]2CCCC2(C)C)CC1 ZINC000629604810 363166622 /nfs/dbraw/zinc/16/66/22/363166622.db2.gz YYLJYBSXQBFELP-HOTGVXAUSA-N 2 0 297.487 1.401 10 0 CDAERP O[C@@H](C[NH2+]C[C@@H]1CCCC12CC2)C[NH+]1CCCC1 ZINC000629618252 363211827 /nfs/dbraw/zinc/21/18/27/363211827.db2.gz KUYWWLQXLPBMQM-KBPBESRZSA-N 2 0 252.402 1.613 10 0 CDAERP CCn1nc(C[NH2+]CCOCCC[NH3+])c2ccccc21 ZINC000629677728 363327693 /nfs/dbraw/zinc/32/76/93/363327693.db2.gz FLQUTSJIRDHQJL-UHFFFAOYSA-N 2 0 276.384 1.511 10 0 CDAERP C[C@@H](C[NH+](C)C)NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000358506705 295882248 /nfs/dbraw/zinc/88/22/48/295882248.db2.gz TULQAKMRNGCPDH-LSDHHAIUSA-N 2 0 296.459 1.596 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000336342685 363407232 /nfs/dbraw/zinc/40/72/32/363407232.db2.gz UAJMMJSBYHXARP-QMTHXVAHSA-N 2 0 259.353 1.018 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)[C@H]2CCC[C@H]21 ZINC000423253852 283137033 /nfs/dbraw/zinc/13/70/33/283137033.db2.gz WONRIVYZGQMASD-LJISPDSOSA-N 3 0 251.418 1.448 10 0 CDAERP COC[C@H]1CC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000211973938 356581837 /nfs/dbraw/zinc/58/18/37/356581837.db2.gz GWBSZUSOOQAZLY-AWEZNQCLSA-N 2 0 260.381 1.801 10 0 CDAERP CCOC(=O)[C@H]1CCC[N@@H+](C2CCC3(C[C@@H]3[NH3+])CC2)C1 ZINC000725271251 538461734 /nfs/dbraw/zinc/46/17/34/538461734.db2.gz ZPGSMGCLAFJFMU-REWIBIJMSA-N 2 0 280.412 1.922 10 0 CDAERP CC(C)C(=O)Nc1ncc(CN2CC[C@H]([NH3+])[C@H](C)C2)s1 ZINC000725272658 538463769 /nfs/dbraw/zinc/46/37/69/538463769.db2.gz SQLYICGIHRCFMO-PWSUYJOCSA-N 2 0 296.440 1.907 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)CC1 ZINC000636115329 363547963 /nfs/dbraw/zinc/54/79/63/363547963.db2.gz LZKCKVKICAVCGG-VXGBXAGGSA-N 2 0 267.417 1.173 10 0 CDAERP CC(C)[NH+](CCNC(=O)c1c[nH+]ccc1N(C)C)C(C)C ZINC000186393198 357645549 /nfs/dbraw/zinc/64/55/49/357645549.db2.gz QBFDCWPXXLPQFL-UHFFFAOYSA-N 2 0 292.427 1.996 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000094647893 482798968 /nfs/dbraw/zinc/79/89/68/482798968.db2.gz IXXBSOLMWUWJJI-OCCSQVGLSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@@H]1CCCCCC[C@H]1[NH3+])C2 ZINC000634750201 358234467 /nfs/dbraw/zinc/23/44/67/358234467.db2.gz PMNKPUAKSATBKD-SRABZTEZSA-N 2 0 293.455 1.742 10 0 CDAERP CC1(C)C[NH2+]CC[C@H](NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000634752115 358258315 /nfs/dbraw/zinc/25/83/15/358258315.db2.gz FKVUCFIIZOTFGN-BARDWOONSA-N 2 0 293.455 1.802 10 0 CDAERP C[C@H]1C[C@@H](N(C)C(=O)COC2CCC([NH3+])CC2)CC[N@@H+]1C ZINC000564929670 358311822 /nfs/dbraw/zinc/31/18/22/358311822.db2.gz QDAIPFOVRHNRPQ-LQULJDIASA-N 2 0 297.443 1.214 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)[C@]23CCC[C@H]2C[NH2+]C3)CC1 ZINC000634762831 358447057 /nfs/dbraw/zinc/44/70/57/358447057.db2.gz HWKHSCZOEFDRDH-HOCLYGCPSA-N 2 0 279.428 1.176 10 0 CDAERP CC[NH+](CC)[C@@H](C)CNC(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000195639343 358449396 /nfs/dbraw/zinc/44/93/96/358449396.db2.gz JMVLYEABNDSCAH-CABCVRRESA-N 2 0 298.475 1.748 10 0 CDAERP CN(C(=O)COC1CCC([NH3+])CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000566206603 358564839 /nfs/dbraw/zinc/56/48/39/358564839.db2.gz UGQAONKBZDZRAR-OTHKPKEBSA-N 2 0 295.427 1.014 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2ccco2)CC1 ZINC000093146658 358588025 /nfs/dbraw/zinc/58/80/25/358588025.db2.gz BBQUYJWRWZXFDE-HNNXBMFYSA-N 2 0 277.412 1.882 10 0 CDAERP CCc1ccc(N2C(=[NH2+])NC(=[NH2+])NC2(C)C)cc1N ZINC000029219414 359044221 /nfs/dbraw/zinc/04/42/21/359044221.db2.gz YQYHVLTYDHBBAF-UHFFFAOYSA-N 2 0 260.345 1.017 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000261920934 359089433 /nfs/dbraw/zinc/08/94/33/359089433.db2.gz IYTRARABKHRXGT-ZIAGYGMSSA-N 2 0 279.428 1.367 10 0 CDAERP Fc1cccc(F)c1N1CC[C@H](N[C@H]2CCC[NH2+]C2)C1 ZINC000335252970 359136517 /nfs/dbraw/zinc/13/65/17/359136517.db2.gz UKZIPSJINKEBEZ-RYUDHWBXSA-N 2 0 281.350 1.885 10 0 CDAERP C[C@@H]1C[NH2+]C[C@@H](NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000401891068 412680292 /nfs/dbraw/zinc/68/02/92/412680292.db2.gz XMZNXAHHVUPAQZ-BPUTZDHNSA-N 2 0 261.413 1.877 10 0 CDAERP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000347521466 359410745 /nfs/dbraw/zinc/41/07/45/359410745.db2.gz LTFGKIUBPKNZCE-HUUCEWRRSA-N 2 0 295.471 1.955 10 0 CDAERP Cn1cncc1CC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000347756480 359614614 /nfs/dbraw/zinc/61/46/14/359614614.db2.gz NSCXWKCXKZKZLW-UHFFFAOYSA-N 2 0 292.427 1.007 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000422744484 359657484 /nfs/dbraw/zinc/65/74/84/359657484.db2.gz SZSYJJALABIONI-GJZGRUSLSA-N 3 0 253.434 1.825 10 0 CDAERP CC(C)C[NH+]1CCC(N[C@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000422819998 359659298 /nfs/dbraw/zinc/65/92/98/359659298.db2.gz OTEAWGDZDKCMFD-IAGOWNOFSA-N 2 0 295.471 1.463 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCN[C@H]1CCC[C@@H]1C[NH3+] ZINC000422887079 359666952 /nfs/dbraw/zinc/66/69/52/359666952.db2.gz JZBQSYZGYVLNHR-BARDWOONSA-N 2 0 253.434 1.966 10 0 CDAERP CC(C)[NH+](CCCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)C(C)C ZINC000417800059 359861870 /nfs/dbraw/zinc/86/18/70/359861870.db2.gz SHCKSAWDSBWOFK-LSDHHAIUSA-N 2 0 298.475 1.793 10 0 CDAERP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H]2CCOC2)C1 ZINC000348373125 360033385 /nfs/dbraw/zinc/03/33/85/360033385.db2.gz VXRSDRUDWDMRFY-UONOGXRCSA-N 2 0 256.390 1.208 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[N@H+](C)CC1 ZINC000337333749 360074532 /nfs/dbraw/zinc/07/45/32/360074532.db2.gz ZKGOLTLMJRYNSA-CYBMUJFWSA-N 2 0 270.421 1.064 10 0 CDAERP C[NH+](C)Cc1cccc(C(=O)N2CCC3(CC[NH2+]3)CC2)c1 ZINC000335405702 360225193 /nfs/dbraw/zinc/22/51/93/360225193.db2.gz FYKFLOMZVXNXED-UHFFFAOYSA-N 2 0 287.407 1.716 10 0 CDAERP C[NH+](C)C[C@@H](c1ccc(O)cc1)C1(O)CC[NH2+]CC1 ZINC000034891781 360543444 /nfs/dbraw/zinc/54/34/44/360543444.db2.gz JYUWWTSYRNPXRT-AWEZNQCLSA-N 2 0 264.369 1.152 10 0 CDAERP C[C@H]1C[C@@H](N(C)C(=O)NCC2([NH3+])CCCCC2)CC[N@@H+]1C ZINC000335609481 360587849 /nfs/dbraw/zinc/58/78/49/360587849.db2.gz XDYXKTKKBPGYME-KBPBESRZSA-N 2 0 296.459 1.772 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000626935700 360653144 /nfs/dbraw/zinc/65/31/44/360653144.db2.gz MVIIDQWBUHUYOD-QLFBSQMISA-N 2 0 296.459 1.691 10 0 CDAERP C[NH2+]CCC1CCN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000417814140 360775620 /nfs/dbraw/zinc/77/56/20/360775620.db2.gz RSUXVTMWKQZFIE-AWEZNQCLSA-N 2 0 281.444 1.613 10 0 CDAERP CCCCC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001660841349 1172288362 /nfs/dbraw/zinc/28/83/62/1172288362.db2.gz AZJDVNRXZAFWFR-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000416870618 296026286 /nfs/dbraw/zinc/02/62/86/296026286.db2.gz IPWPBRFVKLHNAM-OLZOCXBDSA-N 2 0 270.421 1.143 10 0 CDAERP C[N@@H+]1CC[C@H](N[C@@H]2CCC[NH2+]CC2)[C@H]2CCC[C@@H]21 ZINC000643522269 361014956 /nfs/dbraw/zinc/01/49/56/361014956.db2.gz KSMVUWHACJKEBI-KBXIAJHMSA-N 2 0 251.418 1.591 10 0 CDAERP C[NH+]1CCC(CC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000336571601 363759943 /nfs/dbraw/zinc/75/99/43/363759943.db2.gz MIUVDDLXJIICOU-CABCVRRESA-N 2 0 279.428 1.461 10 0 CDAERP CC(C)(C)[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC000635450138 361383097 /nfs/dbraw/zinc/38/30/97/361383097.db2.gz PEENAPVACFXFML-CHWSQXEVSA-N 2 0 290.411 1.846 10 0 CDAERP C[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000168519611 361400457 /nfs/dbraw/zinc/40/04/57/361400457.db2.gz MCROZEKQFHBRJV-DZKIICNBSA-N 2 0 289.423 1.703 10 0 CDAERP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000568511882 294049964 /nfs/dbraw/zinc/04/99/64/294049964.db2.gz ZNTKXUKUTMNXJM-QNWHQSFQSA-N 2 0 253.390 1.103 10 0 CDAERP NC(=O)N1CCC([NH2+]CCCCC[NH+]2CCCC2)CC1 ZINC000339499569 361559807 /nfs/dbraw/zinc/55/98/07/361559807.db2.gz FZQLLUUPJWKATM-UHFFFAOYSA-N 2 0 282.432 1.385 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000644145057 364001524 /nfs/dbraw/zinc/00/15/24/364001524.db2.gz XDEGIQDFPYAUKC-NWDGAFQWSA-N 2 0 265.401 1.023 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)CCN2CCCC2=O)[C@H](C)C1 ZINC000174776256 364272203 /nfs/dbraw/zinc/27/22/03/364272203.db2.gz QRNCITOFFPRIMJ-KGLIPLIRSA-N 2 0 267.417 1.271 10 0 CDAERP C[C@@H](CNC(=O)N1CCC(c2ncc[nH]2)CC1)[NH+](C)C ZINC000455436904 252393155 /nfs/dbraw/zinc/39/31/55/252393155.db2.gz VFFNHRCKGVWVPP-NSHDSACASA-N 2 0 279.388 1.249 10 0 CDAERP C[C@H]1C[C@H](NC(=O)N(C)CCC[NH+](C)C)C[N@@H+]1C1CC1 ZINC000186414918 364579136 /nfs/dbraw/zinc/57/91/36/364579136.db2.gz TUYUNSBNZCFEIA-STQMWFEESA-N 2 0 282.432 1.205 10 0 CDAERP CCN1CC[C@H]([NH2+]C[C@@H](O)COc2ccc(F)cc2)C1 ZINC000389471098 364885764 /nfs/dbraw/zinc/88/57/64/364885764.db2.gz UWGNPGMJLOUHBD-UONOGXRCSA-N 2 0 282.359 1.249 10 0 CDAERP C[C@]1(CN2CC[C@H]([NH+]3CCCCC3)C2)CC[NH2+]C1 ZINC000110371264 364922979 /nfs/dbraw/zinc/92/29/79/364922979.db2.gz XUENKSVZLFTVGZ-GJZGRUSLSA-N 2 0 251.418 1.546 10 0 CDAERP CCCC[C@@H](C[NH3+])NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000566787001 370812474 /nfs/dbraw/zinc/81/24/74/370812474.db2.gz MAQUBSMCKLNPHK-ZFWWWQNUSA-N 2 0 282.432 1.289 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1conc1C ZINC000353498445 365258418 /nfs/dbraw/zinc/25/84/18/365258418.db2.gz AHURLKUGCPQVIU-INIZCTEOSA-N 2 0 294.443 1.831 10 0 CDAERP CN(C)c1ccncc1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000353659764 365364280 /nfs/dbraw/zinc/36/42/80/365364280.db2.gz QSTKDXFYHLZZPI-DZGCQCFKSA-N 2 0 288.395 1.504 10 0 CDAERP CC[NH+](CC)[C@@H](C)CNC(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000249757981 365339824 /nfs/dbraw/zinc/33/98/24/365339824.db2.gz IWLFANAXEFQXJY-UONOGXRCSA-N 2 0 284.448 1.500 10 0 CDAERP CCc1cc(N2CC[N@H+](CCOC)[C@@H](CC)C2)nc(C)n1 ZINC000272924359 365443752 /nfs/dbraw/zinc/44/37/52/365443752.db2.gz UHDZITFJMKPLHE-HNNXBMFYSA-N 2 0 292.427 1.894 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000626982681 367132046 /nfs/dbraw/zinc/13/20/46/367132046.db2.gz OZRXMIZDJUBKJC-RRFJBIMHSA-N 2 0 296.459 1.691 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)NCCC2CC[NH+](C)CC2)C[NH2+]1 ZINC000626968815 367104115 /nfs/dbraw/zinc/10/41/15/367104115.db2.gz LOLPQVVXPTUTNO-TZMCWYRMSA-N 2 0 282.432 1.158 10 0 CDAERP C[N@H+](CCNC(=O)N[C@@H]1CC[NH2+]C12CCC2)C1CCCC1 ZINC000626970730 367109272 /nfs/dbraw/zinc/10/92/72/367109272.db2.gz REZBKDFYBXJZMY-CQSZACIVSA-N 2 0 294.443 1.445 10 0 CDAERP [NH3+][C@@H]1CCC[C@H](NC2CC([NH+]3CCCCC3)C2)C1 ZINC000566867021 370831939 /nfs/dbraw/zinc/83/19/39/370831939.db2.gz SMVYWDGUMCWOCT-DNDYEEKYSA-N 2 0 251.418 1.863 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCC[NH+](C(C)C)C(C)C ZINC000626992654 367190267 /nfs/dbraw/zinc/19/02/67/367190267.db2.gz ZJHIMHTUKPEIFU-LSDHHAIUSA-N 2 0 298.475 1.935 10 0 CDAERP CCCC[C@H](C[NH3+])NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627080834 367380938 /nfs/dbraw/zinc/38/09/38/367380938.db2.gz SXXWMIKXCLCODE-YUELXQCFSA-N 2 0 282.432 1.145 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000627087166 367407943 /nfs/dbraw/zinc/40/79/43/367407943.db2.gz HFNBPIKHROTLIB-LSDHHAIUSA-N 2 0 288.395 1.230 10 0 CDAERP CC(C)[NH+](CCNC(=O)N[C@H]1C[NH2+]CC[C@H]1C)C(C)C ZINC000416804407 242148420 /nfs/dbraw/zinc/14/84/20/242148420.db2.gz JYBGRFNKRKMAJE-KGLIPLIRSA-N 2 0 284.448 1.402 10 0 CDAERP CC1CC[NH+](CCNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)CC1 ZINC000417017271 242270242 /nfs/dbraw/zinc/27/02/42/242270242.db2.gz OUUYONJDOBDKDA-HNNXBMFYSA-N 2 0 294.443 1.254 10 0 CDAERP C[C@H](CNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000417019790 242273383 /nfs/dbraw/zinc/27/33/83/242273383.db2.gz RFEBJUMNYIUOSK-KBUPBQIOSA-N 2 0 296.459 1.404 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N(C)CC2([NH+](C)C)CCC2)C[NH2+]1 ZINC000627204736 367699492 /nfs/dbraw/zinc/69/94/92/367699492.db2.gz ZZPGBMNEFOHRHN-OLZOCXBDSA-N 2 0 282.432 1.253 10 0 CDAERP Cc1cncn1CC(=O)NCCc1cn2cccc(C)c2n1 ZINC000528742070 367967151 /nfs/dbraw/zinc/96/71/51/367967151.db2.gz KPXWXCYNISAYJL-UHFFFAOYSA-N 2 0 297.362 1.507 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@H]([NH3+])CCC(C)C)C1 ZINC000638079474 368127216 /nfs/dbraw/zinc/12/72/16/368127216.db2.gz FPOSRJFEPPQDOL-QWHCGFSZSA-N 2 0 255.406 1.350 10 0 CDAERP C[C@@]1(CNC(=O)NCC2([NH3+])CCCCCC2)CCC[NH2+]C1 ZINC000418282543 242890866 /nfs/dbraw/zinc/89/08/66/242890866.db2.gz HHYJDMNONNJQBR-OAHLLOKOSA-N 2 0 296.459 1.727 10 0 CDAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCC1([NH3+])CCCCCC1 ZINC000418284344 242894348 /nfs/dbraw/zinc/89/43/48/242894348.db2.gz MLTBHTGMOSWACT-STQMWFEESA-N 2 0 282.432 1.335 10 0 CDAERP CC(C)C[C@H](C[NH3+])NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418449323 243092386 /nfs/dbraw/zinc/09/23/86/243092386.db2.gz SPYQSXAYJFUBGB-RBKKPWLPSA-N 2 0 282.432 1.284 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)NCC[NH+](C)C)cc1 ZINC000418469923 243116011 /nfs/dbraw/zinc/11/60/11/243116011.db2.gz BRLYVWDGGALEDX-NSHDSACASA-N 2 0 264.373 1.067 10 0 CDAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000418584343 243239314 /nfs/dbraw/zinc/23/93/14/243239314.db2.gz XHYBVPGPOVOKOX-ZFWWWQNUSA-N 2 0 296.459 1.535 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418579622 243233566 /nfs/dbraw/zinc/23/35/66/243233566.db2.gz RRJNRPZNHZMBJX-SYQHCUMBSA-N 2 0 282.432 1.049 10 0 CDAERP COC(=O)[C@@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C[C@H]1C ZINC000261654397 284059865 /nfs/dbraw/zinc/05/98/65/284059865.db2.gz BHFDEGAUQSCNGX-JHJVBQTASA-N 2 0 254.374 1.117 10 0 CDAERP CC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C[C@H](C)OC ZINC000361558412 368893707 /nfs/dbraw/zinc/89/37/07/368893707.db2.gz HOCPORXBZDJJJS-ZDUSSCGKSA-N 2 0 297.443 1.086 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)N(C)CCC[NH+](C)C)CC[N@@H+]1C ZINC000543674827 368946215 /nfs/dbraw/zinc/94/62/15/368946215.db2.gz LBEBCKWPDCNVKG-CHWSQXEVSA-N 2 0 270.421 1.062 10 0 CDAERP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000362902705 369122906 /nfs/dbraw/zinc/12/29/06/369122906.db2.gz ZEJBZEFDJCJFJO-SWLSCSKDSA-N 2 0 279.428 1.317 10 0 CDAERP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)n(C)n1 ZINC000367630898 369202990 /nfs/dbraw/zinc/20/29/90/369202990.db2.gz DDVVBOWLOUEKHH-KFWWJZLASA-N 2 0 262.401 1.691 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC1CC[NH+](C)CC1 ZINC000079205614 369811747 /nfs/dbraw/zinc/81/17/47/369811747.db2.gz LSKRFXDWLQGZTP-CQSZACIVSA-N 2 0 284.448 1.356 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353526947 369969442 /nfs/dbraw/zinc/96/94/42/369969442.db2.gz BVRXQXALOFZEBI-TWMKSMIVSA-N 2 0 297.487 1.806 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000139241853 370065125 /nfs/dbraw/zinc/06/51/25/370065125.db2.gz FLEVEXBOHYYOED-ZDUSSCGKSA-N 2 0 296.459 1.689 10 0 CDAERP C[NH+](C)Cc1cccc(NC(=O)NC[C@@H]2CCC[N@@H+]2C)c1 ZINC000139594155 370084433 /nfs/dbraw/zinc/08/44/33/370084433.db2.gz IGBUNRTVMWHOHX-HNNXBMFYSA-N 2 0 290.411 1.964 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000252392786 370204563 /nfs/dbraw/zinc/20/45/63/370204563.db2.gz WXKOUTHLMGTZHZ-WCVJEAGWSA-N 2 0 293.455 1.898 10 0 CDAERP C[N@H+](CCC[NH3+])Cc1cc(-n2ccnc2)cs1 ZINC000564968966 370313025 /nfs/dbraw/zinc/31/30/25/370313025.db2.gz MLYGHOGVMATUCI-UHFFFAOYSA-N 2 0 250.371 1.714 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)CC[NH2+]C1CC1 ZINC000565212507 370391047 /nfs/dbraw/zinc/39/10/47/370391047.db2.gz BGXBPQFXUSYKEF-STQMWFEESA-N 2 0 267.417 1.508 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)NCCC[NH2+]C2CC2)cc1 ZINC000418285552 370499264 /nfs/dbraw/zinc/49/92/64/370499264.db2.gz FZDNUYQBDYDJSB-LBPRGKRZSA-N 2 0 290.411 1.648 10 0 CDAERP CC[C@@H]1C[C@H](C[NH+]2CCC([NH2+]CCOC)CC2)CCO1 ZINC000565837064 370548285 /nfs/dbraw/zinc/54/82/85/370548285.db2.gz KRKGKSIVXCYKLX-GDBMZVCRSA-N 2 0 284.444 1.892 10 0 CDAERP CC[C@@H](C(=O)N(C)C[C@H]1CCC[N@@H+]1CC)[NH+](C)C ZINC000121767908 370636675 /nfs/dbraw/zinc/63/66/75/370636675.db2.gz WMMYFZQYGRIAQF-OLZOCXBDSA-N 2 0 255.406 1.269 10 0 CDAERP CC[NH+](CC)CCCN[C@H](C)c1c[nH+]ccc1N ZINC000422739083 245200432 /nfs/dbraw/zinc/20/04/32/245200432.db2.gz ZVKKJEAFMDORBV-GFCCVEGCSA-N 2 0 250.390 1.877 10 0 CDAERP Cc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)ccc1-n1cncn1 ZINC000414964340 371094686 /nfs/dbraw/zinc/09/46/86/371094686.db2.gz UWVPGNLECAWLTM-DZGCQCFKSA-N 2 0 285.395 1.663 10 0 CDAERP O=C(N[C@@H]1CCC[NH2+]CC1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000376384013 371196807 /nfs/dbraw/zinc/19/68/07/371196807.db2.gz HPUUBOVBQJSJFQ-MQYQWHSLSA-N 2 0 265.401 1.165 10 0 CDAERP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)COC1CCC([NH3+])CC1 ZINC000572958138 371361063 /nfs/dbraw/zinc/36/10/63/371361063.db2.gz JWAVPLAJMRZMIA-URGYJCLVSA-N 2 0 297.443 1.072 10 0 CDAERP CC(C)[NH2+]CCCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000572958718 371361454 /nfs/dbraw/zinc/36/14/54/371361454.db2.gz FWQPOLOEPZEBTK-HEHGZKQESA-N 2 0 297.443 1.023 10 0 CDAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H]2CCC[NH+]2C)C1 ZINC000123301283 371386881 /nfs/dbraw/zinc/38/68/81/371386881.db2.gz WKIRNSJCSTUJIK-RDBSUJKOSA-N 2 0 282.432 1.109 10 0 CDAERP C[NH+](C)[C@@H]1CCCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000377736634 371672408 /nfs/dbraw/zinc/67/24/08/371672408.db2.gz KJPUTKWUZPTMNX-CJNGLKHVSA-N 2 0 299.434 1.752 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000377767124 371687233 /nfs/dbraw/zinc/68/72/33/371687233.db2.gz YWKVJKYTSQREGN-INIZCTEOSA-N 2 0 299.434 1.752 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCNC(=O)c1ccccc1 ZINC000422912431 245398471 /nfs/dbraw/zinc/39/84/71/245398471.db2.gz NDZBWAYAHJZDDC-KBPBESRZSA-N 2 0 261.369 1.133 10 0 CDAERP C[NH+](C)Cc1ccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000171279142 372155099 /nfs/dbraw/zinc/15/50/99/372155099.db2.gz JHBYAPRBSCDVCU-MRXNPFEDSA-N 2 0 287.407 1.668 10 0 CDAERP C[NH+](C)Cc1cccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000172618488 372410901 /nfs/dbraw/zinc/41/09/01/372410901.db2.gz FHHWISHCIJUVPX-INIZCTEOSA-N 2 0 287.407 1.668 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+]C[C@H](CO)c1ccccc1 ZINC000423007321 245491477 /nfs/dbraw/zinc/49/14/77/245491477.db2.gz QGBQHQCXAYSTKL-UKRRQHHQSA-N 2 0 250.386 1.870 10 0 CDAERP CC1(C)CN(CC(=O)N2CCC[C@H](c3ncc[nH]3)C2)C1 ZINC000581080202 372821333 /nfs/dbraw/zinc/82/13/33/372821333.db2.gz MCTFRAVPQIQCHS-LBPRGKRZSA-N 2 0 276.384 1.458 10 0 CDAERP c1nc2c([nH]1)C[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)CC2 ZINC000353631903 372877030 /nfs/dbraw/zinc/87/70/30/372877030.db2.gz QYBPZMRWYXWAHX-AGIUHOORSA-N 2 0 260.385 1.483 10 0 CDAERP C[NH2+][C@H](C)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000382762515 373074344 /nfs/dbraw/zinc/07/43/44/373074344.db2.gz LRTYTZDDWPHPST-ZBFHGGJFSA-N 2 0 289.423 1.575 10 0 CDAERP O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)N1CC[NH+]2CCC1CC2 ZINC000341196312 373463776 /nfs/dbraw/zinc/46/37/76/373463776.db2.gz STXBZXXSMUOGMN-GJZGRUSLSA-N 2 0 292.427 1.103 10 0 CDAERP C[C@@H]1CCC[N@H+](C[C@@H]2CCc3ncnn32)[C@@H]1CCC[NH3+] ZINC000631829663 373720593 /nfs/dbraw/zinc/72/05/93/373720593.db2.gz XBANMRLVPGCSMI-HZSPNIEDSA-N 2 0 277.416 1.605 10 0 CDAERP CCC1([NH+]2CCCC2)CC[NH+](C[C@@]2(O)CCCOC2)CC1 ZINC000639987706 373904042 /nfs/dbraw/zinc/90/40/42/373904042.db2.gz NPDFCSXOLSUUAP-KRWDZBQOSA-N 2 0 296.455 1.868 10 0 CDAERP CC1CC[NH+](CC(=O)N2CCC[C@@H](C[NH2+]CCF)C2)CC1 ZINC001661826929 1172450455 /nfs/dbraw/zinc/45/04/55/1172450455.db2.gz GBZBCACBCWXUOQ-HNNXBMFYSA-N 2 0 299.434 1.516 10 0 CDAERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC2(O)CCC2)C1 ZINC000342370574 374153729 /nfs/dbraw/zinc/15/37/29/374153729.db2.gz DWQTYJHEMHXWSR-CQSZACIVSA-N 2 0 270.417 1.334 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)C2CCOCC2)CC1(C)C ZINC000623426394 374343296 /nfs/dbraw/zinc/34/32/96/374343296.db2.gz MDIYLPDZCDTFJX-UONOGXRCSA-N 2 0 270.417 1.236 10 0 CDAERP [NH3+]CC1(CCNC(=O)N2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000652232030 541924547 /nfs/dbraw/zinc/92/45/47/541924547.db2.gz OIMYZDDJTBTBSB-UHFFFAOYSA-N 2 0 294.443 1.291 10 0 CDAERP CC[NH2+]CC1CCN(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000418585567 374417899 /nfs/dbraw/zinc/41/78/99/374417899.db2.gz YPJIDPOZSDDCDG-OCCSQVGLSA-N 2 0 282.432 1.016 10 0 CDAERP CC(C)[N@H+](C)C[C@@H](O)CN1CC[C@H](C(F)F)C1 ZINC000660148237 412822314 /nfs/dbraw/zinc/82/23/14/412822314.db2.gz TXLZEWPZMHNSEM-WDEREUQCSA-N 2 0 250.333 1.275 10 0 CDAERP C(CN1CCC[C@H]2C[NH2+]CC[C@H]21)C[NH+]1CCCCC1 ZINC000631889440 374598276 /nfs/dbraw/zinc/59/82/76/374598276.db2.gz GGOXNPMNEKGQKG-JKSUJKDBSA-N 2 0 265.445 1.936 10 0 CDAERP C[C@@H]1C[N@H+](C)C[C@H]1Nc1cccc(OCC[NH+](C)C)c1 ZINC000342902397 374716714 /nfs/dbraw/zinc/71/67/14/374716714.db2.gz NZNFMPLUJPVADD-CZUORRHYSA-N 2 0 277.412 1.989 10 0 CDAERP CC[C@H](COC)[NH2+][C@@H]1CCO[C@@H](c2cncn2C)C1 ZINC000328626646 374724386 /nfs/dbraw/zinc/72/43/86/374724386.db2.gz FHVFGDIMWVWCTF-YRGRVCCFSA-N 2 0 267.373 1.655 10 0 CDAERP C[C@@H](C[NH+](C)C)NC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000342912769 374725074 /nfs/dbraw/zinc/72/50/74/374725074.db2.gz RLPDMYRHLGEZJY-STQMWFEESA-N 2 0 270.421 1.110 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000342953184 374765466 /nfs/dbraw/zinc/76/54/66/374765466.db2.gz WKSUVGSQVMRWSS-DZGCQCFKSA-N 2 0 279.428 1.461 10 0 CDAERP Cc1nc(N)nc(NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000631060601 374829773 /nfs/dbraw/zinc/82/97/73/374829773.db2.gz MOEFDBMNUPTLDB-TXEJJXNPSA-N 2 0 292.431 1.184 10 0 CDAERP COC[C@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000126435493 375001563 /nfs/dbraw/zinc/00/15/63/375001563.db2.gz YQNAFBMHYSMREX-HZPDHXFCSA-N 2 0 284.444 1.438 10 0 CDAERP CC(C)[C@H](CN[C@H]1CCC[NH2+]CC1)[NH+]1CCCC1 ZINC000128921130 375163724 /nfs/dbraw/zinc/16/37/24/375163724.db2.gz CWERFXPDSRVYDW-GJZGRUSLSA-N 2 0 253.434 1.839 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CC[NH+]2CCC1CC2 ZINC000334420278 375344273 /nfs/dbraw/zinc/34/42/73/375344273.db2.gz SVLOKJZSSSFSFF-AWEZNQCLSA-N 2 0 294.443 1.350 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000417013237 375716528 /nfs/dbraw/zinc/71/65/28/375716528.db2.gz YLRJBWYGAWFSEM-ZIAGYGMSSA-N 2 0 284.448 1.358 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(CCO)CC2)[C@@H](C)C1 ZINC000427982466 247223127 /nfs/dbraw/zinc/22/31/27/247223127.db2.gz RGZPGGBTTMOMOF-HOTGVXAUSA-N 2 0 298.471 1.876 10 0 CDAERP CCC[C@H](O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062034426 375868288 /nfs/dbraw/zinc/86/82/88/375868288.db2.gz OYLDZUNTGYDBLC-HNNXBMFYSA-N 2 0 254.418 1.955 10 0 CDAERP CCc1cc(N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)cc[nH+]1 ZINC000418993555 376075437 /nfs/dbraw/zinc/07/54/37/376075437.db2.gz HBJOAYACOBKVDA-CHWSQXEVSA-N 2 0 263.385 1.535 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCCCNc2ccccn2)CC[N@@H+]1C ZINC000631373423 376166930 /nfs/dbraw/zinc/16/69/30/376166930.db2.gz YMLMFHZROOKRMR-UONOGXRCSA-N 2 0 290.411 1.730 10 0 CDAERP O[C@@H]1CCCC[C@@H]1[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000245637407 376124535 /nfs/dbraw/zinc/12/45/35/376124535.db2.gz RRBGKQCEFNRKRB-SOUVJXGZSA-N 2 0 252.402 1.708 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C2CN(c3ccncn3)C2)[C@H]2CCC[C@H]21 ZINC000631748108 376541517 /nfs/dbraw/zinc/54/15/17/376541517.db2.gz XBXBEGTYOJRZBY-QLFBSQMISA-N 2 0 287.411 1.128 10 0 CDAERP C[C@@H](NC(=O)[C@H](C)N1CC[C@@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000631823944 376649917 /nfs/dbraw/zinc/64/99/17/376649917.db2.gz RDWXLLFSESROIP-KNCOVGOOSA-N 2 0 289.423 1.921 10 0 CDAERP O[C@H](CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C(F)(F)F ZINC000248388558 377237835 /nfs/dbraw/zinc/23/78/35/377237835.db2.gz FCXZAWLOZUWGNJ-RAIGVLPGSA-N 2 0 292.345 1.858 10 0 CDAERP CC[N@H+](CCNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)C(C)C ZINC000417465723 377334509 /nfs/dbraw/zinc/33/45/09/377334509.db2.gz SRXNEGMEPBZSTI-KBPBESRZSA-N 2 0 282.432 1.110 10 0 CDAERP C[N@H+](CCNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)C1CCCC1 ZINC000417508102 377700575 /nfs/dbraw/zinc/70/05/75/377700575.db2.gz OUTNZUHZPOAOAN-UKRRQHHQSA-N 2 0 294.443 1.254 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC23CCC[NH+]2CCC3)CC[N@@H+]1C ZINC000632801458 377872868 /nfs/dbraw/zinc/87/28/68/377872868.db2.gz ZQNMNTPCJRBPAJ-UONOGXRCSA-N 2 0 279.428 1.461 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000193316114 378273640 /nfs/dbraw/zinc/27/36/40/378273640.db2.gz QIIOUMBOHYZVSO-SHARSMKWSA-N 2 0 281.444 1.837 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000193299556 378286546 /nfs/dbraw/zinc/28/65/46/378286546.db2.gz XKIFBOLVNIOIOP-UONOGXRCSA-N 2 0 269.433 1.742 10 0 CDAERP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@H]2CC)C1 ZINC000633642936 378633419 /nfs/dbraw/zinc/63/34/19/378633419.db2.gz WOJAHELQEVVINI-MCIONIFRSA-N 2 0 267.417 1.317 10 0 CDAERP CCn1cncc1CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000417770467 378677580 /nfs/dbraw/zinc/67/75/80/378677580.db2.gz CAYHCEFPFGBPJC-OLZOCXBDSA-N 2 0 250.390 1.818 10 0 CDAERP C[C@@H](CCCC[NH3+])NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000417782977 378742478 /nfs/dbraw/zinc/74/24/78/378742478.db2.gz GQBJSRIUPRLQBY-AVOUXACISA-N 2 0 296.459 1.818 10 0 CDAERP COc1ccc([C@@H](C[NH3+])CN2CC[C@@H](F)[C@H]([NH3+])C2)cc1 ZINC000662326381 412896341 /nfs/dbraw/zinc/89/63/41/412896341.db2.gz SOSFYNUJVBIBLC-NWANDNLSSA-N 2 0 281.375 1.109 10 0 CDAERP CO[C@H](C[NH+]1CCC([NH2+]C(C)C)CC1)[C@H]1CCOC1 ZINC000660063774 412901704 /nfs/dbraw/zinc/90/17/04/412901704.db2.gz HINYFEKCLJWBKM-DZGCQCFKSA-N 2 0 270.417 1.500 10 0 CDAERP CC[C@@H]1C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)CCO1 ZINC000657572795 412904045 /nfs/dbraw/zinc/90/40/45/412904045.db2.gz GQCLOGBTNGLSLL-HRCADAONSA-N 2 0 285.476 1.806 10 0 CDAERP C[N@H+](CCc1ccncc1)CC1CC[NH+](CCO)CC1 ZINC000069923676 379230083 /nfs/dbraw/zinc/23/00/83/379230083.db2.gz AGMZUHJWWQIWSU-UHFFFAOYSA-N 2 0 277.412 1.260 10 0 CDAERP CC(C)[C@@H](C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1)[C@@H](C)[NH3+] ZINC000634301000 379354897 /nfs/dbraw/zinc/35/48/97/379354897.db2.gz TWEKKWTZZOSRQN-MGPQQGTHSA-N 2 0 269.433 1.404 10 0 CDAERP C[C@H](CCN[C@H]1C[N@H+](C)C[C@H]1C)[NH+]1CCCCC1 ZINC000344294987 379431007 /nfs/dbraw/zinc/43/10/07/379431007.db2.gz LFVSREWHYDEDEG-KFWWJZLASA-N 2 0 253.434 1.791 10 0 CDAERP C[C@H]1[NH2+]CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H]1C ZINC000417796071 379590809 /nfs/dbraw/zinc/59/08/09/379590809.db2.gz RKZFXTUDUJVUTB-MLQJFRMTSA-N 2 0 294.443 1.394 10 0 CDAERP COCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001662679767 1172579376 /nfs/dbraw/zinc/57/93/76/1172579376.db2.gz ATXFJABCXYCVPM-LSDHHAIUSA-N 2 0 299.459 1.047 10 0 CDAERP CC[NH2+]CC1CC[NH+](Cc2ccc(C(=O)OC)cn2)CC1 ZINC000094764382 535460000 /nfs/dbraw/zinc/46/00/00/535460000.db2.gz SHECYBOXGIDBML-UHFFFAOYSA-N 2 0 291.395 1.690 10 0 CDAERP CC[C@H]([NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)C(=O)NC ZINC000449779244 251016682 /nfs/dbraw/zinc/01/66/82/251016682.db2.gz SULSUPZNDXLGKI-AWEZNQCLSA-N 2 0 287.367 1.190 10 0 CDAERP CCC[NH+]1CCC([N@H+](C)CC2(C(=O)OC)CC2)CC1 ZINC000450468246 251298795 /nfs/dbraw/zinc/29/87/95/251298795.db2.gz NPQQYTSRWOGJAV-UHFFFAOYSA-N 2 0 268.401 1.746 10 0 CDAERP C[NH2+]Cc1ccccc1NC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662398183 412961480 /nfs/dbraw/zinc/96/14/80/412961480.db2.gz BDFLVBGQBGYZJU-UHFFFAOYSA-N 2 0 288.351 1.840 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)C1CCC([NH3+])CC1 ZINC000041680041 184550869 /nfs/dbraw/zinc/55/08/69/184550869.db2.gz SCMDRIGYPPGGJG-PNESKVBLSA-N 2 0 255.406 1.350 10 0 CDAERP COCC[N@@H+]1CCC[C@@H]1CN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000422703258 285029443 /nfs/dbraw/zinc/02/94/43/285029443.db2.gz HHTDNKQPFHDCDE-RBSFLKMASA-N 2 0 269.433 1.347 10 0 CDAERP CCC(CC)(C[NH3+])NC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662417110 412988853 /nfs/dbraw/zinc/98/88/53/412988853.db2.gz MOWXQYOIRGHQMG-UHFFFAOYSA-N 2 0 268.361 1.116 10 0 CDAERP CC(C)([NH3+])c1cc(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])on1 ZINC000662423045 412998544 /nfs/dbraw/zinc/99/85/44/412998544.db2.gz MMTKAINBYSGTBE-UWVGGRQHSA-N 2 0 280.372 1.116 10 0 CDAERP CC(C)([NH3+])c1cc(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])on1 ZINC000662423047 412999896 /nfs/dbraw/zinc/99/98/96/412999896.db2.gz MMTKAINBYSGTBE-VHSXEESVSA-N 2 0 280.372 1.116 10 0 CDAERP CCCC[C@H](C[NH3+])NC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662428965 413009892 /nfs/dbraw/zinc/00/98/92/413009892.db2.gz MCKRREXLNKYQGB-HIFRSBDPSA-N 2 0 275.396 1.855 10 0 CDAERP CCC[NH+]1CCC(C(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000236767909 256853049 /nfs/dbraw/zinc/85/30/49/256853049.db2.gz JVNJGTBHAGYTMB-GXTWGEPZSA-N 2 0 267.417 1.447 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@]1(C)CO ZINC000530548589 390237937 /nfs/dbraw/zinc/23/79/37/390237937.db2.gz VFWVOKGBNWYYHF-INIZCTEOSA-N 2 0 286.379 1.923 10 0 CDAERP CC(C)[C@H](C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21)[NH+]1CCCCC1 ZINC000646925968 390294699 /nfs/dbraw/zinc/29/46/99/390294699.db2.gz XPYWZRCPUWGICZ-OWCLPIDISA-N 2 0 293.455 1.659 10 0 CDAERP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1CCOC2(CCSCC2)C1 ZINC000358318119 390570012 /nfs/dbraw/zinc/57/00/12/390570012.db2.gz LYDGZVWWZVKOLF-RDBSUJKOSA-N 2 0 284.469 1.971 10 0 CDAERP C[C@@]1(C[NH+]2CCC([C@@H]3CCOC3)CC2)CC[NH2+]C1 ZINC000647539103 390686227 /nfs/dbraw/zinc/68/62/27/390686227.db2.gz WWSVEKVBSOBEFE-HUUCEWRRSA-N 2 0 252.402 1.735 10 0 CDAERP [NH3+][C@H](CC(=O)N[C@H]1CC[NH2+]C12CCCC2)c1ccccc1 ZINC000648210309 390952965 /nfs/dbraw/zinc/95/29/65/390952965.db2.gz PFPVELCFGCINOU-CABCVRRESA-N 2 0 287.407 1.867 10 0 CDAERP C[NH+]1CCN(c2ccc(C[NH2+]CC3(F)CC3)cn2)CC1 ZINC000527513662 391028299 /nfs/dbraw/zinc/02/82/99/391028299.db2.gz YFUSVVALKLMPKL-UHFFFAOYSA-N 2 0 278.375 1.425 10 0 CDAERP C[C@@H]1C[N@@H+]([C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C[C@@]1(C)C[NH3+] ZINC000647547811 390995469 /nfs/dbraw/zinc/99/54/69/390995469.db2.gz GCQXKHQWYIEOSI-GZBLMMOJSA-N 3 0 251.418 1.291 10 0 CDAERP CN(C)CC[NH+]1CCC(C[NH2+]CC2(F)CC2)CC1 ZINC000527226993 391009580 /nfs/dbraw/zinc/00/95/80/391009580.db2.gz LUSXLOODODFXGK-UHFFFAOYSA-N 2 0 257.397 1.352 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N2CC[C@H]([NH3+])[C@H](C)C2)CC1 ZINC000417753565 391032360 /nfs/dbraw/zinc/03/23/60/391032360.db2.gz UIFXOZJGCRKVKG-HIFRSBDPSA-N 2 0 296.459 1.487 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@@H]1CN1C[C@@H](C)[NH+](CCO)C[C@@H]1C ZINC000419330031 391051939 /nfs/dbraw/zinc/05/19/39/391051939.db2.gz FYBWDZAVAMCYST-IXDOHACOSA-N 2 0 297.487 1.636 10 0 CDAERP C[C@@H]1CC[C@]2(CC[N@H+](C[C@H](O)CN(C)C3CC3)C2)C1 ZINC000351616867 391084821 /nfs/dbraw/zinc/08/48/21/391084821.db2.gz ARDBXVVWRFYNPZ-BMFZPTHFSA-N 2 0 266.429 1.954 10 0 CDAERP CC[C@@](C)(O)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374073882 391144073 /nfs/dbraw/zinc/14/40/73/391144073.db2.gz FPZBXZCGICCELT-CQSZACIVSA-N 2 0 254.418 1.955 10 0 CDAERP CCC(=O)N[C@@H]1CCC[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414689712 391343631 /nfs/dbraw/zinc/34/36/31/391343631.db2.gz GOGMGPUATVSBHR-MELADBBJSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000335433699 391431143 /nfs/dbraw/zinc/43/11/43/391431143.db2.gz AETQUMZMDYZTOU-CHWSQXEVSA-N 2 0 282.432 1.382 10 0 CDAERP O[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)Cc1ccccc1 ZINC000647786429 391452784 /nfs/dbraw/zinc/45/27/84/391452784.db2.gz OXOZZSNGWZEAAE-VQHPVUNQSA-N 2 0 274.408 1.568 10 0 CDAERP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000417529754 391642299 /nfs/dbraw/zinc/64/22/99/391642299.db2.gz HBCUKPAAQVPDDS-BYNSBNAKSA-N 2 0 296.459 1.628 10 0 CDAERP COCC1(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647801102 391664735 /nfs/dbraw/zinc/66/47/35/391664735.db2.gz NXFMMLCQCJHCKO-BFHYXJOUSA-N 2 0 252.402 1.781 10 0 CDAERP CC(C)[C@H]([NH3+])C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088164316 391692029 /nfs/dbraw/zinc/69/20/29/391692029.db2.gz DATXARLSVCOJIV-WVMKXHBISA-N 2 0 253.390 1.101 10 0 CDAERP CS[C@@H]1CC[C@@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000519705279 391692830 /nfs/dbraw/zinc/69/28/30/391692830.db2.gz BEAFGTMNBZPNAZ-UONOGXRCSA-N 2 0 271.474 1.498 10 0 CDAERP c1cnc(N[C@@H]2CC[N@@H+](CCCC3CC[NH2+]CC3)C2)nc1 ZINC000647995218 391739046 /nfs/dbraw/zinc/73/90/46/391739046.db2.gz GORAZXNYKKCTDG-OAHLLOKOSA-N 2 0 289.427 1.743 10 0 CDAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](N[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000246282926 391845809 /nfs/dbraw/zinc/84/58/09/391845809.db2.gz TWYFHEJZMSZCBQ-KBXIAJHMSA-N 2 0 253.434 1.787 10 0 CDAERP CCSCC[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000438212053 391899029 /nfs/dbraw/zinc/89/90/29/391899029.db2.gz IYARZBXXMJIEEN-CYBMUJFWSA-N 2 0 259.463 1.213 10 0 CDAERP CC(C)[C@@H](C[NH2+][C@H]1COC2(CCC2)C1)N1CC[NH+](C)CC1 ZINC000657834834 413051786 /nfs/dbraw/zinc/05/17/86/413051786.db2.gz VPQNSBOCHGPPRU-HZPDHXFCSA-N 2 0 295.471 1.560 10 0 CDAERP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC1(CCO)CC1 ZINC000423065284 392312422 /nfs/dbraw/zinc/31/24/22/392312422.db2.gz TVJIMFZROLWPSJ-DZGCQCFKSA-N 2 0 262.397 1.697 10 0 CDAERP C[C@H](NCC[N@@H+]1CCCC[C@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000422855810 392267421 /nfs/dbraw/zinc/26/74/21/392267421.db2.gz FFZXINMSMVSLJU-ILXRZTDVSA-N 2 0 253.434 1.981 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H](C)c1ncc(C)s1 ZINC000423042632 392295516 /nfs/dbraw/zinc/29/55/16/392295516.db2.gz ZVBOARFNWIYWAH-JQWIXIFHSA-N 2 0 271.430 1.899 10 0 CDAERP C[C@@H](NC1CC([NH+]2CCCCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000423092199 392336821 /nfs/dbraw/zinc/33/68/21/392336821.db2.gz AXLURCUFHYNSMX-URGYJCLVSA-N 2 0 251.418 1.733 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000423097019 392340929 /nfs/dbraw/zinc/34/09/29/392340929.db2.gz AARBERYHEOALKO-CQSZACIVSA-N 2 0 276.384 1.449 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000629528710 392384797 /nfs/dbraw/zinc/38/47/97/392384797.db2.gz HIDKLLFLKAMWDE-CQSZACIVSA-N 2 0 252.333 1.639 10 0 CDAERP Cc1cn2cc(NC(=O)[C@H]3CC[NH2+][C@H]3C)ccc2n1 ZINC000645879932 392451496 /nfs/dbraw/zinc/45/14/96/392451496.db2.gz XWQRLQKKMAJNEG-JQWIXIFHSA-N 2 0 258.325 1.579 10 0 CDAERP [NH3+]C[C@@H](C(=O)NC1CCC([NH3+])CC1)c1ccc(F)cc1 ZINC000646664707 392634200 /nfs/dbraw/zinc/63/42/00/392634200.db2.gz POXGPCHYENDZNO-JXQTWKCFSA-N 2 0 279.359 1.254 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000517029003 392818428 /nfs/dbraw/zinc/81/84/28/392818428.db2.gz UUDLBIDNZCATKI-OLZOCXBDSA-N 2 0 284.448 1.533 10 0 CDAERP O[C@H](C[NH2+][C@@H]1CCCSCC1)C[NH+]1CCCC1 ZINC000657843390 413055763 /nfs/dbraw/zinc/05/57/63/413055763.db2.gz CGEDZOWQFAODSU-CHWSQXEVSA-N 2 0 258.431 1.318 10 0 CDAERP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc3[nH]cnc3c2)C1 ZINC000521826789 393068525 /nfs/dbraw/zinc/06/85/25/393068525.db2.gz XGBDOHRJIPHWNP-ZDUSSCGKSA-N 2 0 258.369 1.994 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)[C@H]1C ZINC000495080902 393172781 /nfs/dbraw/zinc/17/27/81/393172781.db2.gz SQHSOYMOZCYNHA-RQJABVFESA-N 2 0 267.417 1.208 10 0 CDAERP COCC[N@@H+]1CCC[C@H]1CNC1CC[NH+](C2CC2)CC1 ZINC000459408865 393146936 /nfs/dbraw/zinc/14/69/36/393146936.db2.gz QSRCVHMPRNRCLA-INIZCTEOSA-N 2 0 281.444 1.314 10 0 CDAERP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NCC[NH+]1CCCC1 ZINC000649280465 393312697 /nfs/dbraw/zinc/31/26/97/393312697.db2.gz XXEHSHXZZVCAFI-KBPBESRZSA-N 2 0 267.417 1.496 10 0 CDAERP [NH3+]CC1(CC(=O)N2CC[N@@H+]3CCC[C@H]3C2)CCCCC1 ZINC000185350039 140038761 /nfs/dbraw/zinc/03/87/61/140038761.db2.gz APTUFPQTVYAKEF-AWEZNQCLSA-N 2 0 279.428 1.592 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000222041404 140170639 /nfs/dbraw/zinc/17/06/39/140170639.db2.gz SOIKINSOKOHOAY-KGLIPLIRSA-N 2 0 269.433 1.742 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]2CN(CC(=O)Nc3ccccc3F)C[C@@H]21 ZINC000230048535 140206560 /nfs/dbraw/zinc/20/65/60/140206560.db2.gz VZTOEBSSCSYBFS-SGMGOOAPSA-N 2 0 291.370 1.823 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000234782833 140231344 /nfs/dbraw/zinc/23/13/44/140231344.db2.gz XFBITVPKZQOHOW-HNNXBMFYSA-N 3 0 271.449 1.452 10 0 CDAERP C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H](C)[NH3+] ZINC000261550036 140344642 /nfs/dbraw/zinc/34/46/42/140344642.db2.gz PDTJAULRIAYZNV-IJEWVQPXSA-N 2 0 289.423 1.703 10 0 CDAERP CCOC(=O)C1CCC([NH2+][C@@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000261574853 140353889 /nfs/dbraw/zinc/35/38/89/140353889.db2.gz BGHRLXHXTVNAAU-BLYZHGLHSA-N 2 0 268.401 1.696 10 0 CDAERP Cc1cnn(CCN2CCC([NH2+]CC3CC3)CC2)c1 ZINC000261627341 140365998 /nfs/dbraw/zinc/36/59/98/140365998.db2.gz VJYRGHMEOPHMSU-UHFFFAOYSA-N 2 0 262.401 1.656 10 0 CDAERP C[C@]1(C[N@@H+]2CCC[C@H](C3OCCO3)C2)CC[NH2+]C1 ZINC000261707446 140379156 /nfs/dbraw/zinc/37/91/56/140379156.db2.gz DCHNSJKMSXSMBU-JSGCOSHPSA-N 2 0 254.374 1.071 10 0 CDAERP C[NH+](C)CCCNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662523629 413093817 /nfs/dbraw/zinc/09/38/17/413093817.db2.gz PGDCDJPVORYSBP-OAHLLOKOSA-N 2 0 289.423 1.747 10 0 CDAERP C[C@@H](C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656200430 413097994 /nfs/dbraw/zinc/09/79/94/413097994.db2.gz PIBZVYRULHSJQC-DGADGQDISA-N 2 0 283.460 1.462 10 0 CDAERP CC[NH+](CC)CC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662588065 413154157 /nfs/dbraw/zinc/15/41/57/413154157.db2.gz AOBNGUKYNHESLV-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)CC[NH2+]1 ZINC000662589773 413158423 /nfs/dbraw/zinc/15/84/23/413158423.db2.gz DTEKULRSPDEKSF-MJBXVCDLSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000662594834 413165468 /nfs/dbraw/zinc/16/54/68/413165468.db2.gz WODZRCUHTZDVST-CHWSQXEVSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662594071 413167113 /nfs/dbraw/zinc/16/71/13/413167113.db2.gz RBCQWFVWUHRIOW-FRRDWIJNSA-N 2 0 267.417 1.079 10 0 CDAERP CO[C@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000658073974 413173209 /nfs/dbraw/zinc/17/32/09/413173209.db2.gz QPQRUAXZBZHSGK-BPLDGKMQSA-N 2 0 270.417 1.358 10 0 CDAERP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)o1 ZINC000647001065 397804989 /nfs/dbraw/zinc/80/49/89/397804989.db2.gz BXDBUMOOSYLTAI-JSGCOSHPSA-N 2 0 293.411 1.849 10 0 CDAERP Cc1cc2n(n1)C[C@H](C[NH2+]C1CCN(C3CC3)CC1)CN2 ZINC000058341605 398004157 /nfs/dbraw/zinc/00/41/57/398004157.db2.gz VJRYJMFVDGBVDB-CYBMUJFWSA-N 2 0 289.427 1.450 10 0 CDAERP [NH3+]C1CCC(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000037649695 398100087 /nfs/dbraw/zinc/10/00/87/398100087.db2.gz GBMHSIVBKBMHCK-HIFPTAJRSA-N 2 0 265.401 1.104 10 0 CDAERP CC(C)(C)[NH+]1CCC([NH2+][C@H](CO)C2CCC2)CC1 ZINC000658086739 413185289 /nfs/dbraw/zinc/18/52/89/413185289.db2.gz FHSHNKGOCFLSCF-CQSZACIVSA-N 2 0 254.418 2.000 10 0 CDAERP CN(CC[NH2+]CC1CCC1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001663992933 1172797232 /nfs/dbraw/zinc/79/72/32/1172797232.db2.gz PIJJEMNNEDPJIS-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP CCSCC[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000119418581 147317635 /nfs/dbraw/zinc/31/76/35/147317635.db2.gz SUZVCWFFIRSTOH-HNNXBMFYSA-N 2 0 285.501 1.841 10 0 CDAERP CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658135609 413225621 /nfs/dbraw/zinc/22/56/21/413225621.db2.gz ABBSYBTYPPIEBE-CKEIUWERSA-N 2 0 292.423 1.766 10 0 CDAERP Cc1cncc(C[NH2+]CCN(C)C(=O)CCC[NH+](C)C)c1 ZINC001664146257 1172817226 /nfs/dbraw/zinc/81/72/26/1172817226.db2.gz JCEBGFCLYUSLES-UHFFFAOYSA-N 2 0 292.427 1.280 10 0 CDAERP C[NH+](C)C1(CNC(=O)[C@@H]([NH3+])C2CCOCC2)CCCCC1 ZINC000262122834 149023221 /nfs/dbraw/zinc/02/32/21/149023221.db2.gz WHPSQNWYFCJXPD-AWEZNQCLSA-N 2 0 297.443 1.121 10 0 CDAERP c1ccc(C[N@H+]2CCC[C@@H]2CNC2=[NH+]CCCN2)cc1 ZINC000262206716 149034674 /nfs/dbraw/zinc/03/46/74/149034674.db2.gz JDNUVUWRRVVPHX-OAHLLOKOSA-N 2 0 272.396 1.590 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC000262427374 149062510 /nfs/dbraw/zinc/06/25/10/149062510.db2.gz RGPXUWNPZCRMOU-KKUMJFAQSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@H](NC(=O)[C@H]1CC[NH2+][C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000262471775 149067598 /nfs/dbraw/zinc/06/75/98/149067598.db2.gz WXGHBLNNLDDFSX-AVGNSLFASA-N 2 0 269.433 1.467 10 0 CDAERP [NH3+]CCCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000262658763 149091319 /nfs/dbraw/zinc/09/13/19/149091319.db2.gz WDTWJIWEHYHCBO-UHFFFAOYSA-N 2 0 275.396 1.638 10 0 CDAERP C[C@@H]1CC[NH2+][C@H](C(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000335136780 150327436 /nfs/dbraw/zinc/32/74/36/150327436.db2.gz YECNKLPGUBYUAM-OLZOCXBDSA-N 2 0 267.417 1.542 10 0 CDAERP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NCC1([NH3+])CCCC1 ZINC000662649796 413250771 /nfs/dbraw/zinc/25/07/71/413250771.db2.gz SKQRVTVPDAZYCL-CHWSQXEVSA-N 2 0 267.417 1.672 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000346197192 153093221 /nfs/dbraw/zinc/09/32/21/153093221.db2.gz DSDALPXSLVYDID-WMLDXEAASA-N 2 0 297.406 1.760 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000346984807 153367972 /nfs/dbraw/zinc/36/79/72/153367972.db2.gz QYLHTOPXRZJIRV-NFAWXSAZSA-N 2 0 279.428 1.412 10 0 CDAERP O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCC2(CC[NH2+]2)CC1 ZINC000422545954 304388766 /nfs/dbraw/zinc/38/87/66/304388766.db2.gz YGXLWZTUZPYUEU-IHRRRGAJSA-N 2 0 277.412 1.262 10 0 CDAERP C[NH+](C)CCOCC[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000349238317 154072844 /nfs/dbraw/zinc/07/28/44/154072844.db2.gz CIIOPUBWNUADRR-UHFFFAOYSA-N 2 0 294.424 1.602 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CC(OC)C2)[C@@H](C)C1 ZINC000349725289 154197693 /nfs/dbraw/zinc/19/76/93/154197693.db2.gz WXPXJULHUXGXBV-LBDPXKHJSA-N 2 0 284.444 1.890 10 0 CDAERP [NH3+]C1(CC(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000662675497 413292215 /nfs/dbraw/zinc/29/22/15/413292215.db2.gz PIMYGHOXWANGEC-UHFFFAOYSA-N 2 0 265.401 1.391 10 0 CDAERP CC(C)[N@H+](C)CC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000662688147 413313961 /nfs/dbraw/zinc/31/39/61/413313961.db2.gz NDUOPLLBGXGCGQ-HNNXBMFYSA-N 2 0 291.395 1.626 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](O)C23CCC3)[C@H]2CCC[C@@H]21 ZINC000658251980 413317718 /nfs/dbraw/zinc/31/77/18/413317718.db2.gz POSUOCSKHARZAB-FQKPHLNHSA-N 2 0 264.413 1.752 10 0 CDAERP CCSCC[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000355665886 157174777 /nfs/dbraw/zinc/17/47/77/157174777.db2.gz XMCOBXZQSYSADN-UHFFFAOYSA-N 2 0 281.425 1.965 10 0 CDAERP C[C@H](CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCC[NH2+]C1 ZINC000129420766 413354746 /nfs/dbraw/zinc/35/47/46/413354746.db2.gz IFYNGSUGQOCDAR-ARJVPZMDSA-N 2 0 279.428 1.411 10 0 CDAERP c1cc(C[NH+]2CCC(CNC3=[NH+]CCCN3)CC2)ccn1 ZINC000656508482 413363974 /nfs/dbraw/zinc/36/39/74/413363974.db2.gz HQQUXIGAFDIJHE-UHFFFAOYSA-N 2 0 287.411 1.233 10 0 CDAERP C[C@H]1C[C@H]([NH2+]CC2(O)CCC(F)(F)CC2)CC[N@@H+]1C ZINC000658323797 413370072 /nfs/dbraw/zinc/37/00/72/413370072.db2.gz WHBMXQYKMUWXDY-NWDGAFQWSA-N 2 0 276.371 1.999 10 0 CDAERP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662717595 413375949 /nfs/dbraw/zinc/37/59/49/413375949.db2.gz APALFAIJDXIKIC-FMPXUHTOSA-N 2 0 265.401 1.152 10 0 CDAERP O=C(CC[C@@H]1CC[NH2+]C1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000361969146 159027106 /nfs/dbraw/zinc/02/71/06/159027106.db2.gz WIGIDUBMZIKQKC-RBSFLKMASA-N 2 0 279.428 1.367 10 0 CDAERP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000371559765 160026194 /nfs/dbraw/zinc/02/61/94/160026194.db2.gz KSTIFODMPYTVND-XUWVNRHRSA-N 2 0 287.407 1.216 10 0 CDAERP CSCCC[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000020200496 171063746 /nfs/dbraw/zinc/06/37/46/171063746.db2.gz BWZXEPXNAXYSNC-UHFFFAOYSA-N 2 0 259.463 1.355 10 0 CDAERP C[N@H+]1[C@@H]2CC[C@H]1CC(NCCC[NH+]1CCCC1)C2 ZINC000020523991 171236643 /nfs/dbraw/zinc/23/66/43/171236643.db2.gz LKFFCJVKMHLJTL-GOOCMWNKSA-N 2 0 251.418 1.687 10 0 CDAERP CC[NH+]1CCN([C@@H](C[NH3+])c2ccc(F)c(F)c2)CC1 ZINC000022163269 171364662 /nfs/dbraw/zinc/36/46/62/171364662.db2.gz ZYHCENPRDJRYRD-AWEZNQCLSA-N 2 0 269.339 1.602 10 0 CDAERP C[NH2+]CCc1ccccc1C(=O)NCCC1(C[NH3+])CC1 ZINC000653222839 412147428 /nfs/dbraw/zinc/14/74/28/412147428.db2.gz QXUZDAUTZBWZQU-UHFFFAOYSA-N 2 0 275.396 1.307 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)CC2([NH3+])CC2)C1 ZINC000662789024 413499416 /nfs/dbraw/zinc/49/94/16/413499416.db2.gz ZKXOWJPCFPFCOP-MCIONIFRSA-N 2 0 279.428 1.732 10 0 CDAERP [NH3+]C1(CC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000662794616 413511239 /nfs/dbraw/zinc/51/12/39/413511239.db2.gz OYMMNBJSNCVPAM-UHFFFAOYSA-N 2 0 288.395 1.296 10 0 CDAERP CCN(C(=O)N[C@H]1CCc2[nH]cnc2C1)[C@H]1CC[N@H+](C)C1 ZINC000664926103 413735513 /nfs/dbraw/zinc/73/55/13/413735513.db2.gz FWACTWOPLOCDLA-RYUDHWBXSA-N 2 0 291.399 1.003 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)CC[NH2+]1 ZINC000663005864 413805612 /nfs/dbraw/zinc/80/56/12/413805612.db2.gz YVYCUYRXYDCVGG-IMJJTQAJSA-N 2 0 293.455 1.613 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000659487258 413876849 /nfs/dbraw/zinc/87/68/49/413876849.db2.gz VAPAHGGXEYDAIW-LSDHHAIUSA-N 2 0 296.459 1.676 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407271975 413915467 /nfs/dbraw/zinc/91/54/67/413915467.db2.gz PUNNGHCDQQFHNA-KBPBESRZSA-N 2 0 267.417 1.317 10 0 CDAERP O=C(NCCC[NH+]1CCCC1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407318633 413929131 /nfs/dbraw/zinc/92/91/31/413929131.db2.gz QHZBCWSFTCVGHV-KGLIPLIRSA-N 2 0 265.401 1.119 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000659533392 413934983 /nfs/dbraw/zinc/93/49/83/413934983.db2.gz KJZRSZZSFLRLDH-OAHLLOKOSA-N 2 0 290.411 1.462 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000659511074 413909108 /nfs/dbraw/zinc/90/91/08/413909108.db2.gz NZLQORUVJUHKRB-YNEHKIRRSA-N 2 0 270.421 1.047 10 0 CDAERP CC[NH2+]CCNC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659515202 413910564 /nfs/dbraw/zinc/91/05/64/413910564.db2.gz QVHQQXAZMWLVCN-CQSZACIVSA-N 2 0 282.432 1.017 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000665233279 413958368 /nfs/dbraw/zinc/95/83/68/413958368.db2.gz CYEUNDPQCZICJY-OAHLLOKOSA-N 3 0 297.487 1.985 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC2([NH3+])CCCC2)[C@@H](C)C1 ZINC000659572946 413985523 /nfs/dbraw/zinc/98/55/23/413985523.db2.gz JLDTZGYHYFTNCC-KBPBESRZSA-N 2 0 296.459 1.630 10 0 CDAERP NC(=[NH2+])NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000663234747 414070869 /nfs/dbraw/zinc/07/08/69/414070869.db2.gz WAUNSWFATIRFHE-AWEZNQCLSA-N 2 0 272.396 1.772 10 0 CDAERP COCCCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657312448 414155218 /nfs/dbraw/zinc/15/52/18/414155218.db2.gz IZACIXGSIARTCQ-UHFFFAOYSA-N 2 0 260.341 1.784 10 0 CDAERP CCC[C@@H](O)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657358106 414229541 /nfs/dbraw/zinc/22/95/41/414229541.db2.gz BALNHFCWPDIQSW-CQSZACIVSA-N 2 0 260.341 1.518 10 0 CDAERP Cc1cc(C)n2c(C[NH2+]C[C@H]3C[C@@H]([NH+](C)C)C3)cnc2n1 ZINC000655827701 414236566 /nfs/dbraw/zinc/23/65/66/414236566.db2.gz YJAWHCAJXIFBCB-OKILXGFUSA-N 2 0 287.411 1.776 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC000655826499 414237255 /nfs/dbraw/zinc/23/72/55/414237255.db2.gz GNLVFPLVMVXLKN-XBXGTLAGSA-N 2 0 261.369 1.215 10 0 CDAERP Cc1nccn1CC[NH2+]Cc1c(C2CCC2)cnn1C ZINC000657338523 414194728 /nfs/dbraw/zinc/19/47/28/414194728.db2.gz ZTMXJGUXLQGGFV-UHFFFAOYSA-N 2 0 273.384 1.982 10 0 CDAERP Cc1nccn1CC[NH2+]Cc1c(C(F)(F)F)cnn1C ZINC000657337904 414196881 /nfs/dbraw/zinc/19/68/81/414196881.db2.gz LLGUSRNCLIZYRZ-UHFFFAOYSA-N 2 0 287.289 1.734 10 0 CDAERP O[C@H]1CCC[C@@H]1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657377177 414256368 /nfs/dbraw/zinc/25/63/68/414256368.db2.gz AWVFLWOPGJZKEL-DOMZBBRYSA-N 2 0 272.352 1.518 10 0 CDAERP CC[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CO1 ZINC000657398533 414285897 /nfs/dbraw/zinc/28/58/97/414285897.db2.gz CTQTUTCFHBUARP-JJXSEGSLSA-N 2 0 282.428 1.521 10 0 CDAERP CC1([NH3+])CCN(Cc2nc3c(s2)C[NH2+]CC3)CC1 ZINC000663495463 414292743 /nfs/dbraw/zinc/29/27/43/414292743.db2.gz YCPMNSCPPXQBNC-UHFFFAOYSA-N 2 0 266.414 1.102 10 0 CDAERP COc1ccc(C[NH2+]CC[C@@H]([NH3+])C(C)C)cc1O ZINC000663498911 414296843 /nfs/dbraw/zinc/29/68/43/414296843.db2.gz TTZBHOBGYSWAOK-GFCCVEGCSA-N 2 0 252.358 1.864 10 0 CDAERP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000661776064 414360793 /nfs/dbraw/zinc/36/07/93/414360793.db2.gz XPBLVZKFKDQISK-BZUAXINKSA-N 2 0 294.443 1.034 10 0 CDAERP CC[C@@H]1C[C@H]([NH2+][C@H](C)CCN2CC[NH+](C)CC2)CO1 ZINC000657438899 414328890 /nfs/dbraw/zinc/32/88/90/414328890.db2.gz QOUGEGCJSZHSBA-QLFBSQMISA-N 2 0 269.433 1.170 10 0 CDAERP CC[N@H+](CC(=O)N(C)C)Cc1cccc2c1CC[NH2+]C2 ZINC000662250930 414586163 /nfs/dbraw/zinc/58/61/63/414586163.db2.gz SOFNWLOEOJIYOP-UHFFFAOYSA-N 2 0 275.396 1.242 10 0 CDAERP C[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@@H](CCO)c1ccccc1 ZINC000662254033 414587232 /nfs/dbraw/zinc/58/72/32/414587232.db2.gz DLXAGWGVZSWJMC-HOTGVXAUSA-N 2 0 290.407 1.563 10 0 CDAERP C[N@H+](CCc1ccc(F)cc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662252462 414587947 /nfs/dbraw/zinc/58/79/47/414587947.db2.gz MIFXSVZGHIJSIS-HNNXBMFYSA-N 2 0 278.371 1.821 10 0 CDAERP C(C1CCCCC1)[NH+]1CCN(C[C@H]2C[NH2+]CCO2)CC1 ZINC000662261304 414596741 /nfs/dbraw/zinc/59/67/41/414596741.db2.gz XEWSLTAHOOGJOM-MRXNPFEDSA-N 2 0 281.444 1.173 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662263014 414599166 /nfs/dbraw/zinc/59/91/66/414599166.db2.gz KBKZWYDLADROLQ-CABCVRRESA-N 2 0 281.444 1.171 10 0 CDAERP CCn1cc(C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C(C)C)cn1 ZINC000662285873 414616945 /nfs/dbraw/zinc/61/69/45/414616945.db2.gz OELGSRQKGLSKKV-HNNXBMFYSA-N 2 0 292.427 1.634 10 0 CDAERP FC(F)COCC[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294622 414620013 /nfs/dbraw/zinc/62/00/13/414620013.db2.gz RIYUDVFNJZBWFF-CYBMUJFWSA-N 2 0 276.371 1.980 10 0 CDAERP COCC1([N@H+](C)Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662299831 414626130 /nfs/dbraw/zinc/62/61/30/414626130.db2.gz YBBYZDQQQNSJQT-UHFFFAOYSA-N 2 0 260.381 1.943 10 0 CDAERP CCc1nnc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])n1C ZINC000662317893 414635292 /nfs/dbraw/zinc/63/52/92/414635292.db2.gz VEPOQBQPGMNGAP-CHWSQXEVSA-N 2 0 279.432 1.717 10 0 CDAERP CCCC[C@@H]([NH3+])C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000038029537 174020380 /nfs/dbraw/zinc/02/03/80/174020380.db2.gz FQTLWWNMUVRFDN-CHWSQXEVSA-N 2 0 255.406 1.495 10 0 CDAERP CC[C@H](c1ccc(F)cc1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038030942 174023518 /nfs/dbraw/zinc/02/35/18/174023518.db2.gz MDAHCHJRIFUOCW-OAHLLOKOSA-N 2 0 293.386 1.640 10 0 CDAERP Cc1ccccc1C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508046 174303036 /nfs/dbraw/zinc/30/30/36/174303036.db2.gz YZGQRWZKPAWJGW-MRXNPFEDSA-N 2 0 287.407 1.391 10 0 CDAERP Cc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)c(=O)[nH]1 ZINC000040623498 174356061 /nfs/dbraw/zinc/35/60/61/174356061.db2.gz BXLJYXQKBBGVGZ-FZMZJTMJSA-N 2 0 292.427 1.768 10 0 CDAERP CC[C@H]([NH3+])[C@H](c1cnn(C)c1)N1CCC([NH+](C)C)CC1 ZINC000043127790 174979192 /nfs/dbraw/zinc/97/91/92/174979192.db2.gz BAPVXICJVFDTAR-GJZGRUSLSA-N 2 0 279.432 1.225 10 0 CDAERP CC[C@@H]([NH3+])[C@H](c1ccccn1)N1CCC[N@H+](C)CC1 ZINC000043338996 175013264 /nfs/dbraw/zinc/01/32/64/175013264.db2.gz HFOXYEVTTIKJOO-UKRRQHHQSA-N 2 0 262.401 1.498 10 0 CDAERP CC[C@@H]([NH3+])[C@@H](c1cccnc1)N1CC[NH+](CC)CC1 ZINC000043345664 175017077 /nfs/dbraw/zinc/01/70/77/175017077.db2.gz XNIOHJKVKXDVIX-HUUCEWRRSA-N 2 0 262.401 1.498 10 0 CDAERP CC[C@@H]([NH3+])[C@@H](c1cccnc1)N1CC[NH+](C(C)C)CC1 ZINC000043346788 175017343 /nfs/dbraw/zinc/01/73/43/175017343.db2.gz UZMYMXLLMJNOIN-HZPDHXFCSA-N 2 0 276.428 1.886 10 0 CDAERP CCC[NH+]1CCN(C[C@H]([NH2+]C)c2cccc(OC)c2)CC1 ZINC000043805330 175107413 /nfs/dbraw/zinc/10/74/13/175107413.db2.gz APYHCJKMGYNXEE-KRWDZBQOSA-N 2 0 291.439 1.983 10 0 CDAERP C[NH2+][C@H]1c2ccccc2CCC[C@H]1N1CC[NH+](C)CC1 ZINC000043810349 175109765 /nfs/dbraw/zinc/10/97/65/175109765.db2.gz UCTXROGJKZEPFF-SJORKVTESA-N 2 0 273.424 1.899 10 0 CDAERP C[NH2+][C@@H](CN(C)C1CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000043815219 175111448 /nfs/dbraw/zinc/11/14/48/175111448.db2.gz PHLVEWFNPGZXRZ-KRWDZBQOSA-N 2 0 291.439 1.982 10 0 CDAERP CCC[NH2+][C@@H]1CCCC[C@@H]1N1CCC[N@H+](C)CC1 ZINC000043818587 175113617 /nfs/dbraw/zinc/11/36/17/175113617.db2.gz HAFKGAOHOLYXNA-CABCVRRESA-N 2 0 253.434 1.935 10 0 CDAERP CC[C@@H]1CCC[N@@H+]1[C@@H]1CC2(CC[C@@H]1[NH2+]C)OCCO2 ZINC000043904259 175122722 /nfs/dbraw/zinc/12/27/22/175122722.db2.gz XVOHARYYEKVFEO-HZSPNIEDSA-N 2 0 268.401 1.744 10 0 CDAERP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N1CC[NH+](C2CC2)CC1 ZINC000043967671 175128820 /nfs/dbraw/zinc/12/88/20/175128820.db2.gz MUVZEGWDXOYQPM-BPUTZDHNSA-N 2 0 265.445 1.933 10 0 CDAERP CC[NH2+][C@@H]1CCCC[C@@H]1N1CC[NH+](C2CC2)CC1 ZINC000043967724 175129315 /nfs/dbraw/zinc/12/93/15/175129315.db2.gz WTMGTIBMSOJHCR-CABCVRRESA-N 2 0 251.418 1.687 10 0 CDAERP CC[NH2+][C@@H]1CCC[C@@H]1N(CCOC)[C@@H](C)COC ZINC000043975804 175132607 /nfs/dbraw/zinc/13/26/07/175132607.db2.gz PGJFJJIPGXJVNJ-MJBXVCDLSA-N 2 0 258.406 1.500 10 0 CDAERP C[NH+](C)CC1CC[NH+]([C@H]2COc3ccccc3[C@@H]2O)CC1 ZINC000044169765 175148642 /nfs/dbraw/zinc/14/86/42/175148642.db2.gz RHPRRNVPXYGNRQ-RDJZCZTQSA-N 2 0 290.407 1.755 10 0 CDAERP Cc1ccccc1[C@H](C)NC(=O)C[NH+]1CCC(C[NH3+])CC1 ZINC000044514203 175189075 /nfs/dbraw/zinc/18/90/75/175189075.db2.gz SNTIELNCUCKAAF-AWEZNQCLSA-N 2 0 289.423 1.843 10 0 CDAERP CC[NH+]1CCC(C[NH2+]C[C@@H](O)COC2CCCC2)CC1 ZINC000044518525 175190899 /nfs/dbraw/zinc/19/08/99/175190899.db2.gz ZUNDCTTURKCDRE-OAHLLOKOSA-N 2 0 284.444 1.628 10 0 CDAERP C[C@H](C[NH+]1CCCC1)NC(=O)C1(C[NH3+])CCCC1 ZINC000044763640 175247635 /nfs/dbraw/zinc/24/76/35/175247635.db2.gz KAJAKXASZQRPOU-GFCCVEGCSA-N 2 0 253.390 1.106 10 0 CDAERP CN(CC(C)(C)C)C1(C[NH3+])C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000045070777 175301230 /nfs/dbraw/zinc/30/12/30/175301230.db2.gz MYZMQTMJTVLCPV-NNQSOWQGSA-N 2 0 253.434 1.918 10 0 CDAERP CC(C)[NH2+][C@@](C)(CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(N)=O ZINC000045376915 175366798 /nfs/dbraw/zinc/36/67/98/175366798.db2.gz RTMTVIVGRDRNMB-LZWOXQAQSA-N 2 0 299.459 1.508 10 0 CDAERP CC(C)[NH2+][C@@](C)(CCCC[N@H+](C)C1CC1)C(N)=O ZINC000045383240 175370719 /nfs/dbraw/zinc/37/07/19/175370719.db2.gz KFKXAKJLZQQFSR-AWEZNQCLSA-N 2 0 255.406 1.493 10 0 CDAERP CC[C@@H]1C[C@@](C[NH3+])(N2CC[C@H]([NH+]3CCCCC3)C2)CCO1 ZINC000070366336 175895744 /nfs/dbraw/zinc/89/57/44/175895744.db2.gz IKGKCLCSOHPSMH-BBWFWOEESA-N 2 0 295.471 1.833 10 0 CDAERP CC[NH+]1CCC(N(C)C[C@](CO)([NH2+]C2CC2)C2CC2)CC1 ZINC000070514537 175963703 /nfs/dbraw/zinc/96/37/03/175963703.db2.gz QBHMQGCXZLBEAX-QGZVFWFLSA-N 2 0 295.471 1.296 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C[C@@](O)(C[NH3+])c2ccccc2)CC1 ZINC000070521518 175967091 /nfs/dbraw/zinc/96/70/91/175967091.db2.gz WGGJFSMGCBIYHD-RDJZCZTQSA-N 2 0 291.439 1.249 10 0 CDAERP C[NH+](C)C(C)(C)CN1CCC[C@H]([NH2+]C2CC2)C1=O ZINC000071031578 176022875 /nfs/dbraw/zinc/02/28/75/176022875.db2.gz WVWXNFARACQNHX-LBPRGKRZSA-N 2 0 253.390 1.070 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)N1CCC[C@H]([NH2+]C(C)C)C1=O ZINC000071032012 176023032 /nfs/dbraw/zinc/02/30/32/176023032.db2.gz POHSYDBXDGXRGC-GJZGRUSLSA-N 2 0 283.460 1.952 10 0 CDAERP CC[NH2+][C@H]1CCCN([C@H](C[NH+](C)C)C(C)C)C1=O ZINC000071034287 176024449 /nfs/dbraw/zinc/02/44/49/176024449.db2.gz XEZJAACNUOGWGC-QWHCGFSZSA-N 2 0 255.406 1.173 10 0 CDAERP CC[NH2+][C@@H]1CCCN([C@H](C[NH+](C)C)C(C)C)C1=O ZINC000071034285 176024457 /nfs/dbraw/zinc/02/44/57/176024457.db2.gz XEZJAACNUOGWGC-CHWSQXEVSA-N 2 0 255.406 1.173 10 0 CDAERP CCC[NH2+][C@@H]1CCCN(CC2CC[NH+](CC)CC2)C1=O ZINC000071036464 176025761 /nfs/dbraw/zinc/02/57/61/176025761.db2.gz YMYAGXNVNPLNNA-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP COc1ccc([C@H]([C@H](C)[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000071187868 176062205 /nfs/dbraw/zinc/06/22/05/176062205.db2.gz GMCRDEAOHNWVRQ-VBQJREDUSA-N 2 0 291.439 1.967 10 0 CDAERP CCOC(=O)[C@](C)(CCC[N@H+](C)C[C@@H]1CC[NH+](C)C1)NC ZINC000071190919 176068632 /nfs/dbraw/zinc/06/86/32/176068632.db2.gz LQUHQTWSNHFTBJ-HOCLYGCPSA-N 2 0 299.459 1.191 10 0 CDAERP C[NH2+]Cc1nc(N(C)C[C@H]2CC[N@H+](C)C2)ccc1Cl ZINC000071191787 176071673 /nfs/dbraw/zinc/07/16/73/176071673.db2.gz DFIBCBVLEYFWQN-NSHDSACASA-N 2 0 282.819 1.842 10 0 CDAERP CC(C)C[NH2+]CCCC[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191888 176071755 /nfs/dbraw/zinc/07/17/55/176071755.db2.gz IITZZRXIWOYWIU-HNNXBMFYSA-N 3 0 255.450 1.896 10 0 CDAERP CN(CC[NH2+]CCc1cccs1)C[C@@H]1CC[N@H+](C)C1 ZINC000071192231 176073351 /nfs/dbraw/zinc/07/33/51/176073351.db2.gz DUODWVJZJLEZTJ-CQSZACIVSA-N 2 0 281.469 1.764 10 0 CDAERP CC(C)[NH2+][C@H]1CCCN([C@@H]2C[NH+]3CCC2CC3)C1 ZINC000071197098 176076926 /nfs/dbraw/zinc/07/69/26/176076926.db2.gz IPKPQEQWVPZBHR-LSDHHAIUSA-N 2 0 251.418 1.543 10 0 CDAERP CCC[NH2+][C@H]1CCCN(C[C@@H]2CC[N@H+](CC)C2)C1 ZINC000071199239 176077072 /nfs/dbraw/zinc/07/70/72/176077072.db2.gz APLKSGPXANPCEN-CABCVRRESA-N 2 0 253.434 1.792 10 0 CDAERP CC[NH+]1CCC(CN2CCC[C@@H]([NH2+]C3CC3)C2)CC1 ZINC000071200997 176077601 /nfs/dbraw/zinc/07/76/01/176077601.db2.gz HCCJVDKVMRIWRI-MRXNPFEDSA-N 2 0 265.445 1.935 10 0 CDAERP Cn1c(C[NH3+])nnc1SCC[C@@H]1CCCC[N@@H+]1C ZINC000071374041 176138883 /nfs/dbraw/zinc/13/88/83/176138883.db2.gz QCSKHUVARWETAG-JTQLQIEISA-N 2 0 269.418 1.240 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](NCC[NH+](C)C2CCCC2)C1 ZINC000071377150 176142416 /nfs/dbraw/zinc/14/24/16/176142416.db2.gz MTHKFBCTKXGZAV-CQSZACIVSA-N 2 0 253.434 1.933 10 0 CDAERP CC[NH2+][C@H]1CCCC[C@H]1CN1CC[NH+](CC(C)(C)O)CC1 ZINC000071381808 176145385 /nfs/dbraw/zinc/14/53/85/176145385.db2.gz PQLWDSGYHQTUCW-HOTGVXAUSA-N 2 0 297.487 1.543 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000417527145 287390201 /nfs/dbraw/zinc/39/02/01/287390201.db2.gz DFJIWICQTFLIHU-MCIONIFRSA-N 2 0 282.432 1.240 10 0 CDAERP CC[C@H](C(=O)N1CCC(CC[NH2+]CC2CC2)CC1)[NH+](C)C ZINC001666256320 1173122024 /nfs/dbraw/zinc/12/20/24/1173122024.db2.gz IVYOPSDHEGUFGS-MRXNPFEDSA-N 2 0 295.471 1.955 10 0 CDAERP COCC[NH2+]C[C@@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001666629450 1173164231 /nfs/dbraw/zinc/16/42/31/1173164231.db2.gz IFFDTSAQQKXHAF-HUUCEWRRSA-N 2 0 299.459 1.239 10 0 CDAERP c1ccc(C[N@H+]2CCC[C@H]2CN[C@H]2CC[NH2+]C2)cc1 ZINC000390581794 262223213 /nfs/dbraw/zinc/22/32/13/262223213.db2.gz JGEJVEKILAQMEN-HOTGVXAUSA-N 2 0 259.397 1.603 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655446789 423864719 /nfs/dbraw/zinc/86/47/19/423864719.db2.gz AZZSKFVKYUOTJW-IVSAIRAKSA-N 2 0 293.455 1.755 10 0 CDAERP O=C([C@H]1C[C@]12CCC[NH2+]C2)N1CCC(c2c[nH]cn2)CC1 ZINC000655448573 423873840 /nfs/dbraw/zinc/87/38/40/423873840.db2.gz PXGDAYZEYQUPDQ-CJNGLKHVSA-N 2 0 288.395 1.505 10 0 CDAERP CO[C@H](C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)C1CCCCC1 ZINC000662272593 423829550 /nfs/dbraw/zinc/82/95/50/423829550.db2.gz GWTNQWKXCAPZHE-DLBZAZTESA-N 2 0 295.471 1.561 10 0 CDAERP CN(C)C(=O)N(C)[C@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000662318412 423951744 /nfs/dbraw/zinc/95/17/44/423951744.db2.gz ZSIWLFDGEWGSBQ-KBPBESRZSA-N 2 0 282.432 1.064 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)NCC[NH2+]C1CC1 ZINC000652203747 424060254 /nfs/dbraw/zinc/06/02/54/424060254.db2.gz WSIIVQKXEUDRPV-UHFFFAOYSA-N 2 0 270.421 1.016 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000652215854 424069162 /nfs/dbraw/zinc/06/91/62/424069162.db2.gz BDCYUZRHVBKLBY-GJZGRUSLSA-N 2 0 290.411 1.475 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000652216996 424074688 /nfs/dbraw/zinc/07/46/88/424074688.db2.gz LPRARTUQNUSLEZ-KGLIPLIRSA-N 2 0 284.448 1.404 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000652224980 424081510 /nfs/dbraw/zinc/08/15/10/424081510.db2.gz MPGYSYNZQACYEO-KBPBESRZSA-N 2 0 284.448 1.356 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000652224723 424081746 /nfs/dbraw/zinc/08/17/46/424081746.db2.gz GQDFDOQYRJQQCS-CABCVRRESA-N 2 0 296.459 1.358 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000652225324 424087045 /nfs/dbraw/zinc/08/70/45/424087045.db2.gz WEFKIVSXHMGACB-LSDHHAIUSA-N 2 0 298.475 1.591 10 0 CDAERP [NH3+]C[C@H](NC(=O)NCCC1(C[NH3+])CC1)C1CCCCC1 ZINC000652205795 424028952 /nfs/dbraw/zinc/02/89/52/424028952.db2.gz KKUFZFYOCVTNKZ-ZDUSSCGKSA-N 2 0 282.432 1.322 10 0 CDAERP C[C@@H](C[NH2+]C[C@@]1(C)CCCS1)CN1CC[NH+](C)CC1 ZINC000628213364 424185818 /nfs/dbraw/zinc/18/58/18/424185818.db2.gz IDYVQKAREBLKNI-LSDHHAIUSA-N 2 0 285.501 1.745 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653115672 424294717 /nfs/dbraw/zinc/29/47/17/424294717.db2.gz WURCITDFTDOQRH-HBNTYKKESA-N 2 0 295.349 1.231 10 0 CDAERP O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652338311 424258681 /nfs/dbraw/zinc/25/86/81/424258681.db2.gz SOJLWMAYFJLSQG-CVEARBPZSA-N 2 0 285.391 1.185 10 0 CDAERP C[C@H](CCNC(=O)[C@H](C[NH3+])c1ccc(F)cc1)[NH+](C)C ZINC000662633657 424260918 /nfs/dbraw/zinc/26/09/18/424260918.db2.gz NBCHYCMAHGQVHF-BXUZGUMPSA-N 2 0 281.375 1.324 10 0 CDAERP CCO[C@@H]1C[N@H+](CCOc2cccc(CC)c2)C[C@H]1C[NH3+] ZINC000652358212 424306454 /nfs/dbraw/zinc/30/64/54/424306454.db2.gz LYEVIWGSUSYNOE-NVXWUHKLSA-N 2 0 292.423 1.923 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000659617948 424413016 /nfs/dbraw/zinc/41/30/16/424413016.db2.gz BWDNYNIGXOXXMM-DGAVXFQQSA-N 2 0 282.432 1.129 10 0 CDAERP C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000400953421 424417554 /nfs/dbraw/zinc/41/75/54/424417554.db2.gz YRBTULWUXVBITF-TZMCWYRMSA-N 2 0 267.417 1.352 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000659624253 424433417 /nfs/dbraw/zinc/43/34/17/424433417.db2.gz PUWZUZWAZFIBNM-MGPQQGTHSA-N 2 0 284.448 1.484 10 0 CDAERP Cc1ccccc1[C@@H]([NH3+])C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655489256 424506836 /nfs/dbraw/zinc/50/68/36/424506836.db2.gz NHDJUGBTNHPPHK-VNHYZAJKSA-N 2 0 275.396 1.451 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2ccccc2CC[NH3+])C1 ZINC000655489568 424507396 /nfs/dbraw/zinc/50/73/96/424507396.db2.gz UPXFAXBRTVBSBR-XBXGTLAGSA-N 2 0 275.396 1.258 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2C[NH2+]Cc3ccccc32)C1 ZINC000655488896 424508884 /nfs/dbraw/zinc/50/88/84/424508884.db2.gz IKAMPBWKLCBMSG-IVMMDQJWSA-N 2 0 287.407 1.330 10 0 CDAERP CO[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)[C@@H]1CCOC1 ZINC000665235693 424469876 /nfs/dbraw/zinc/46/98/76/424469876.db2.gz YSRBPMGCAUGBKS-RAEVTNRLSA-N 2 0 276.380 1.772 10 0 CDAERP O=C(N[C@@H]1CC[NH2+]C12CCCC2)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655482859 424479670 /nfs/dbraw/zinc/47/96/70/424479670.db2.gz ORFWYHUWEQUJHR-GUTXKFCHSA-N 2 0 277.412 1.167 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000071401034 424554659 /nfs/dbraw/zinc/55/46/59/424554659.db2.gz DRSYCJNYRGNSGI-CABCVRRESA-N 2 0 275.396 1.677 10 0 CDAERP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@](O)(C2CC2)C1 ZINC000661626087 424622160 /nfs/dbraw/zinc/62/21/60/424622160.db2.gz LROIAVFSKIHMQQ-LSDHHAIUSA-N 2 0 252.402 1.708 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+]Cc1nn(C)cc1Br ZINC000393337606 270337082 /nfs/dbraw/zinc/33/70/82/270337082.db2.gz LRHVTKDPDKTJAV-SECBINFHSA-N 2 0 289.221 1.790 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(CO)ccc3F)C[C@@H]21 ZINC000530217856 271159846 /nfs/dbraw/zinc/15/98/46/271159846.db2.gz INFOYYXYAAGWIM-IVMMDQJWSA-N 2 0 278.371 1.877 10 0 CDAERP CC(C)(C[NH2+][C@H]1CCC[C@@H]1C[NH3+])C(=O)N1CCCC1 ZINC000530222318 271162839 /nfs/dbraw/zinc/16/28/39/271162839.db2.gz IRWWLIMAVBVKQU-OLZOCXBDSA-N 2 0 267.417 1.352 10 0 CDAERP CCOCC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530236929 271176860 /nfs/dbraw/zinc/17/68/60/271176860.db2.gz AGARPXIPOGYEFP-CQSZACIVSA-N 2 0 256.390 1.113 10 0 CDAERP COCC[N@@H+]1CCC[C@@H]1CN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422717635 274027590 /nfs/dbraw/zinc/02/75/90/274027590.db2.gz VVWCQYPPWSUWIC-COXVUDFISA-N 2 0 289.423 1.832 10 0 CDAERP CC[N@H+](C)Cc1cccc(CNC(=O)[C@H](C)C2C[NH2+]C2)c1 ZINC000262409593 276075802 /nfs/dbraw/zinc/07/58/02/276075802.db2.gz QKYSWBDVMIDSER-CYBMUJFWSA-N 2 0 289.423 1.610 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCCC(=O)OC)[C@H](C)C1 ZINC000175719199 276224985 /nfs/dbraw/zinc/22/49/85/276224985.db2.gz OQFNYYCEATXXPR-OLZOCXBDSA-N 2 0 256.390 1.602 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](C)N1CCC[C@H](C)C1 ZINC000422859774 277259966 /nfs/dbraw/zinc/25/99/66/277259966.db2.gz KJIFDUCMNBTABE-ZNMIVQPWSA-N 2 0 271.449 1.450 10 0 CDAERP COC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000126577845 277264458 /nfs/dbraw/zinc/26/44/58/277264458.db2.gz XDRBJPSKACFVIB-JKSUJKDBSA-N 2 0 284.444 1.582 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000333167802 277393477 /nfs/dbraw/zinc/39/34/77/277393477.db2.gz HQHSFMMMLGFNJW-UONOGXRCSA-N 2 0 282.432 1.158 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@H]([NH3+])[C@@H]2C)C1 ZINC000417913144 277395859 /nfs/dbraw/zinc/39/58/59/277395859.db2.gz PKJUGJITCFJEIX-ZNMIVQPWSA-N 2 0 296.459 1.486 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1cccc(C(F)(F)F)n1 ZINC000423156618 277563839 /nfs/dbraw/zinc/56/38/39/277563839.db2.gz LICXZLLHMVJGMC-LLVKDONJSA-N 2 0 291.317 1.944 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]CCCF ZINC001668320702 1173396220 /nfs/dbraw/zinc/39/62/20/1173396220.db2.gz SOUCLTWMTDMEDD-UONOGXRCSA-N 2 0 287.423 1.705 10 0 CDAERP CC(C)[C@H](O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000124064423 277923971 /nfs/dbraw/zinc/92/39/71/277923971.db2.gz NYYKDCPNDBPPSR-OAHLLOKOSA-N 2 0 254.418 1.811 10 0 CDAERP C[C@@H](C(N)=O)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177483328 278217679 /nfs/dbraw/zinc/21/76/79/278217679.db2.gz LKBXHGDFEYUOHK-MJBXVCDLSA-N 2 0 297.443 1.072 10 0 CDAERP C[C@@H](C[NH+](C)C)NC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000416236562 278237475 /nfs/dbraw/zinc/23/74/75/278237475.db2.gz ZSNBKGYLHSZLME-AWEZNQCLSA-N 2 0 289.423 1.501 10 0 CDAERP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)[C@H]1C[C@H]1C ZINC000423502595 278253800 /nfs/dbraw/zinc/25/38/00/278253800.db2.gz CZGMOHDRSGFUJT-HRMROMONSA-N 2 0 265.445 1.837 10 0 CDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H]2CC[C@H](C)O2)CC1 ZINC000248965752 278289445 /nfs/dbraw/zinc/28/94/45/278289445.db2.gz QSOXVRYXWBESHN-DZKIICNBSA-N 2 0 284.444 1.579 10 0 CDAERP CC(C)(C)OC(=O)N(CC[NH3+])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000058040458 278377767 /nfs/dbraw/zinc/37/77/67/278377767.db2.gz UWEPLGZIPDOMMX-LBPRGKRZSA-N 2 0 269.389 1.419 10 0 CDAERP CC[NH+](CC)CCCNC(=O)c1c[nH+]ccc1N(C)C ZINC000186288781 279099950 /nfs/dbraw/zinc/09/99/50/279099950.db2.gz RVOUXUFBSOBOAE-UHFFFAOYSA-N 2 0 278.400 1.609 10 0 CDAERP CC[NH+](CC)CCN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000119642290 279104162 /nfs/dbraw/zinc/10/41/62/279104162.db2.gz KUSLEOHKXMMUCU-KRWDZBQOSA-N 2 0 296.503 1.430 10 0 CDAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCC23CCOCC3)C1 ZINC000368515847 279396120 /nfs/dbraw/zinc/39/61/20/279396120.db2.gz AEUWEOJYNQLKPB-KBPBESRZSA-N 2 0 252.402 1.877 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000195127815 280070991 /nfs/dbraw/zinc/07/09/91/280070991.db2.gz BVSMQZLXNSKHHS-CHWSQXEVSA-N 2 0 270.421 1.110 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000245203132 280203328 /nfs/dbraw/zinc/20/33/28/280203328.db2.gz ZQSWSBCMCQJXBZ-KBXIAJHMSA-N 2 0 281.444 1.848 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)N(C)[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000246204194 280263246 /nfs/dbraw/zinc/26/32/46/280263246.db2.gz NCQOAQDMDUEQTC-ILXRZTDVSA-N 2 0 296.459 1.595 10 0 CDAERP CN(C(=O)[C@@H]1CCCCCC[C@H]1[NH3+])[C@@H]1CC[NH2+]C1 ZINC000247441348 280333834 /nfs/dbraw/zinc/33/38/34/280333834.db2.gz WXGWLRFCWHWRHS-JHJVBQTASA-N 2 0 253.390 1.104 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)NC1CC[NH+](C)CC1 ZINC000334589715 288290392 /nfs/dbraw/zinc/29/03/92/288290392.db2.gz NSSDFASBHJDWQN-UKRRQHHQSA-N 2 0 294.443 1.349 10 0 CDAERP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000356314109 282010692 /nfs/dbraw/zinc/01/06/92/282010692.db2.gz ZDXATHBHDUWTEE-KBPBESRZSA-N 2 0 299.459 1.380 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)NC2(C)CC[NH2+]CC2)CC1 ZINC000417941765 289101857 /nfs/dbraw/zinc/10/18/57/289101857.db2.gz SICGZXJQVYRVJU-UHFFFAOYSA-N 2 0 296.459 1.548 10 0 CDAERP CC[C@@H]1CN(CC[NH+]2CCC(C)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000153802386 289182085 /nfs/dbraw/zinc/18/20/85/289182085.db2.gz LAQICDQKROPGPV-IAGOWNOFSA-N 2 0 297.487 1.495 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)CC[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC000351970798 289352325 /nfs/dbraw/zinc/35/23/25/289352325.db2.gz JJFHEBFBHJWNGP-HUUCEWRRSA-N 2 0 281.444 1.707 10 0 CDAERP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000234328834 289568567 /nfs/dbraw/zinc/56/85/67/289568567.db2.gz QDMXAXYKWOSRDN-AWEZNQCLSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000261769513 290020036 /nfs/dbraw/zinc/02/00/36/290020036.db2.gz OLJWPNYHIFVRTF-JBLDHEPKSA-N 2 0 274.368 1.505 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000557213463 290336828 /nfs/dbraw/zinc/33/68/28/290336828.db2.gz ZCDXYSOWZHIYJW-MGPQQGTHSA-N 2 0 282.432 1.016 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H](CCO)c1ccccc1 ZINC000422983394 293097275 /nfs/dbraw/zinc/09/72/75/293097275.db2.gz ZGMODTCKZXCPKG-LSDHHAIUSA-N 2 0 266.385 1.454 10 0 CDAERP COC[C@]1(C[NH2+][C@H]2CC[C@H]2C2CCC2)CCC[NH2+]1 ZINC000423417692 293295800 /nfs/dbraw/zinc/29/58/00/293295800.db2.gz SRWJAMHGFIKGQC-SOUVJXGZSA-N 2 0 252.402 1.923 10 0 CDAERP O=C1C[C@H]([C@@H]2CCCC[N@@H+]2CCC2CC[NH2+]CC2)CN1 ZINC000570802274 294310910 /nfs/dbraw/zinc/31/09/10/294310910.db2.gz CWFMZAHFEXWNEI-GJZGRUSLSA-N 2 0 279.428 1.367 10 0 CDAERP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262380189 297095577 /nfs/dbraw/zinc/09/55/77/297095577.db2.gz NQSWAVBJAVWVNF-RFQIPJPRSA-N 2 0 265.401 1.070 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH2+]CC1CCOCC1 ZINC001670357293 1173674695 /nfs/dbraw/zinc/67/46/95/1173674695.db2.gz AJBVCPFZIJUBSC-UHFFFAOYSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000569458029 316784407 /nfs/dbraw/zinc/78/44/07/316784407.db2.gz DRUBLRFEEQIUFR-AJNGGQMLSA-N 2 0 279.428 1.365 10 0 CDAERP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@@H]2CCCC[C@H]2C[NH3+])CC1=O ZINC000577214633 317287269 /nfs/dbraw/zinc/28/72/69/317287269.db2.gz TVMUTQNPVSJQJK-ITGHMWBKSA-N 2 0 265.401 1.103 10 0 CDAERP C[C@H]([NH3+])[C@H](C)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000577382211 317319793 /nfs/dbraw/zinc/31/97/93/317319793.db2.gz FANVRUHALRIBJD-LMRQPLJMSA-N 2 0 275.396 1.568 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001672335232 1173767512 /nfs/dbraw/zinc/76/75/12/1173767512.db2.gz WIQYIZCEGZLZFW-JKSUJKDBSA-N 2 0 293.455 1.733 10 0 CDAERP CCC1([NH2+]CCCF)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001673624504 1173874095 /nfs/dbraw/zinc/87/40/95/1173874095.db2.gz BCPGOHRMBXZADR-AWEZNQCLSA-N 2 0 299.434 1.659 10 0 CDAERP C[C@H]1C[C@H](N(C)C(=O)c2ccccc2CC[NH3+])CC[N@@H+]1C ZINC000582972598 325081282 /nfs/dbraw/zinc/08/12/82/325081282.db2.gz UZQLXNHTHWVEQR-DZGCQCFKSA-N 2 0 289.423 1.743 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001267048261 1159099326 /nfs/dbraw/zinc/09/93/26/1159099326.db2.gz VINXCOLQVMZXKM-CVEARBPZSA-N 2 0 293.455 1.875 10 0 CDAERP C[C@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)[C@@H]1CCC[C@@H](C)C1 ZINC000584154214 327051413 /nfs/dbraw/zinc/05/14/13/327051413.db2.gz AJBVXNAFIMUIQE-YYIAUSFCSA-N 2 0 297.487 1.399 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCCOC ZINC001698861317 1159131783 /nfs/dbraw/zinc/13/17/83/1159131783.db2.gz OUXUBNYVTMRLEC-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001725647539 1159261201 /nfs/dbraw/zinc/26/12/01/1159261201.db2.gz XLOHPZGLUHJBRQ-KGLIPLIRSA-N 2 0 281.444 1.755 10 0 CDAERP C[NH+](C)CC1(C(=O)N2CC[C@@H](C[NH2+]C/C=C/Cl)C2)CC1 ZINC001731667147 1159324262 /nfs/dbraw/zinc/32/42/62/1159324262.db2.gz JQRVRYZNAQZJNB-MXPWBENCSA-N 2 0 299.846 1.519 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N(C)CC[NH2+]CC2CCC2)CC[N@@H+]1C ZINC001267418340 1159372766 /nfs/dbraw/zinc/37/27/66/1159372766.db2.gz GKSURENQNJIYPY-ZFWWWQNUSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]CCC(F)(F)F ZINC001267998792 1159643259 /nfs/dbraw/zinc/64/32/59/1159643259.db2.gz MHGJCESVPLLHGZ-GHMZBOCLSA-N 2 0 295.349 1.375 10 0 CDAERP CC[C@@H](CNC(=O)[C@H](C)Cc1c[nH]cn1)[NH2+]CCF ZINC001481858121 1159950945 /nfs/dbraw/zinc/95/09/45/1159950945.db2.gz QSIDOPZBKGKRNT-MNOVXSKESA-N 2 0 270.352 1.042 10 0 CDAERP CC[C@H](CNC(=O)[C@H](C)Cc1c[nH]cn1)[NH2+]CCF ZINC001481858120 1159951385 /nfs/dbraw/zinc/95/13/85/1159951385.db2.gz QSIDOPZBKGKRNT-GHMZBOCLSA-N 2 0 270.352 1.042 10 0 CDAERP COCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001482058013 1159971109 /nfs/dbraw/zinc/97/11/09/1159971109.db2.gz ADQKZGGEBGMTCV-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP CN(C)c1nc2c(s1)C[N@H+](CCCn1ccnc1)CC2 ZINC001422188865 1159992521 /nfs/dbraw/zinc/99/25/21/1159992521.db2.gz JDINGFRZPPVUKP-UHFFFAOYSA-N 2 0 291.424 1.854 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]CCF ZINC001732707277 1160194840 /nfs/dbraw/zinc/19/48/40/1160194840.db2.gz DMSOWUCKNDMKNC-ZIAGYGMSSA-N 2 0 287.423 1.561 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)C[C@@H]([NH3+])c2ccccc2)C1 ZINC000226708338 482468255 /nfs/dbraw/zinc/46/82/55/482468255.db2.gz BYGLAPVIEOKDBF-UONOGXRCSA-N 2 0 261.369 1.287 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N(C)C1CC[NH2+]CC1 ZINC000652291661 482459039 /nfs/dbraw/zinc/45/90/39/482459039.db2.gz BYYLBKGYWNMXAN-UHFFFAOYSA-N 2 0 290.411 1.299 10 0 CDAERP CC1([NH3+])CCN(C(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000669514463 482533975 /nfs/dbraw/zinc/53/39/75/482533975.db2.gz FDRVVFPUFKUSAR-ZDUSSCGKSA-N 2 0 279.359 1.208 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)NCC[NH2+]C2CC2)CC1 ZINC000669540671 482624563 /nfs/dbraw/zinc/62/45/63/482624563.db2.gz BDEBHUJTBPFHJU-UHFFFAOYSA-N 2 0 282.432 1.158 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1cccc(C)c1OC ZINC000656201138 482791379 /nfs/dbraw/zinc/79/13/79/482791379.db2.gz SWAPGZCFSLDWAW-CQSZACIVSA-N 2 0 266.385 1.847 10 0 CDAERP C[NH+](C)CCOc1cc(C[NH2+]Cc2cn[nH]c2)ccn1 ZINC000677811669 482792084 /nfs/dbraw/zinc/79/20/84/482792084.db2.gz ISDWRGZZVJANLD-UHFFFAOYSA-N 2 0 275.356 1.035 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)NC[C@H]([NH3+])c2ccccc2)C1 ZINC000669403407 482888501 /nfs/dbraw/zinc/88/85/01/482888501.db2.gz ZUCXIJZZZORPMX-KBPBESRZSA-N 2 0 276.384 1.080 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCC[NH+](C)C2)C[C@H]1C ZINC000674028822 482926062 /nfs/dbraw/zinc/92/60/62/482926062.db2.gz LPUNWSVJGWMGAR-ILXRZTDVSA-N 2 0 296.459 1.595 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000088288676 482932016 /nfs/dbraw/zinc/93/20/16/482932016.db2.gz JBWOTRIZDLSBMG-UONOGXRCSA-N 2 0 269.433 1.550 10 0 CDAERP CC1(C[NH2+]Cc2cn3cccc(F)c3n2)CC[NH2+]CC1 ZINC000666840411 482946782 /nfs/dbraw/zinc/94/67/82/482946782.db2.gz HSOXFNCIYJJOKU-UHFFFAOYSA-N 2 0 276.359 1.953 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[C@H]1C[NH3+])c1cccs1 ZINC000250349866 483016253 /nfs/dbraw/zinc/01/62/53/483016253.db2.gz TVDJETRKPPWJMG-RWMBFGLXSA-N 2 0 295.452 1.842 10 0 CDAERP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CC[NH+]2CCC1CC2 ZINC000672942970 483051268 /nfs/dbraw/zinc/05/12/68/483051268.db2.gz WMAHTYIRYGEDQZ-CQSZACIVSA-N 2 0 294.443 1.350 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1C(=O)NCC[C@@H]1C ZINC000685044944 483078326 /nfs/dbraw/zinc/07/83/26/483078326.db2.gz SPTNFBXDDYFWPR-NHYWBVRUSA-N 2 0 299.378 1.190 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089460923 483087510 /nfs/dbraw/zinc/08/75/10/483087510.db2.gz KJVKVEPGRMHPSD-KBPBESRZSA-N 2 0 267.417 1.210 10 0 CDAERP C[NH2+][C@H](C)C(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000054074814 483096558 /nfs/dbraw/zinc/09/65/58/483096558.db2.gz JECPLYIVTSMNHF-CYBMUJFWSA-N 2 0 263.385 1.185 10 0 CDAERP C[C@H](CC[NH3+])NC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000667148675 483110915 /nfs/dbraw/zinc/11/09/15/483110915.db2.gz MNTUNWBFORXADE-SNVBAGLBSA-N 2 0 274.328 1.126 10 0 CDAERP C[NH+](C)CCOc1ccccc1C[NH2+]C1CSC1 ZINC000679840230 483159527 /nfs/dbraw/zinc/15/95/27/483159527.db2.gz APOSSXKCUJBWNU-UHFFFAOYSA-N 2 0 266.410 1.832 10 0 CDAERP Cc1nc(N[C@H]2C[N@H+](C)Cc3ccccc32)nc(N(C)C)n1 ZINC000534530839 483272618 /nfs/dbraw/zinc/27/26/18/483272618.db2.gz QWWSWMYPCUYMBM-AWEZNQCLSA-N 2 0 298.394 1.267 10 0 CDAERP c1cc(N2CCN(CCC[NH2+]C3CSC3)CC2)cc[nH+]1 ZINC000679626054 483397390 /nfs/dbraw/zinc/39/73/90/483397390.db2.gz PHDLLMGBFQPTTG-UHFFFAOYSA-N 2 0 292.452 1.299 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)C[C@H]([NH3+])C(C)C)CC1 ZINC000136402948 483401278 /nfs/dbraw/zinc/40/12/78/483401278.db2.gz YXTUGQCEEZOONT-ZDUSSCGKSA-N 2 0 255.406 1.160 10 0 CDAERP C[NH+](C)CC1(CNC(=O)N[C@@H]2CCC[N@H+](C)C2)CCCC1 ZINC000680555702 483660432 /nfs/dbraw/zinc/66/04/32/483660432.db2.gz WUMMTBHYTMLDAD-CQSZACIVSA-N 2 0 296.459 1.502 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+]CC1CC(F)(F)C1 ZINC001691622932 1160721150 /nfs/dbraw/zinc/72/11/50/1160721150.db2.gz FAGUKYLKWFUNPX-UHFFFAOYSA-N 2 0 291.386 1.420 10 0 CDAERP CC(C)C[NH+]1CCN(CC[NH2+][C@H](C)C2CC2)CC1 ZINC000055075753 519726081 /nfs/dbraw/zinc/72/60/81/519726081.db2.gz KIVDHGXCWPSJDR-CQSZACIVSA-N 2 0 253.434 1.648 10 0 CDAERP CC(C)[NH2+][C@@](C)(C[C@H](C)N1C[C@@H](C)OC(C)(C)C1)C(N)=O ZINC000068639206 519736618 /nfs/dbraw/zinc/73/66/18/519736618.db2.gz VNOAAJAMTMVXOV-ZENOOKHLSA-N 2 0 299.459 1.506 10 0 CDAERP CC(C)[NH2+][C@](C)(C[C@@H](C)N(C)[C@@H]1CCC[N@H+](C)C1)C(N)=O ZINC000068642454 519739848 /nfs/dbraw/zinc/73/98/48/519739848.db2.gz XUFMOIBHZKALJO-IIAWOOMASA-N 2 0 298.475 1.033 10 0 CDAERP CC(C)C[NH2+]CC1(C[N@H+](CCO)C(C)C)CCOCC1 ZINC000052198022 519742707 /nfs/dbraw/zinc/74/27/07/519742707.db2.gz DAVUBZZMLMUYJA-UHFFFAOYSA-N 2 0 286.460 1.732 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)NCC[NH+]1CCC(C)CC1 ZINC000061273544 520165676 /nfs/dbraw/zinc/16/56/76/520165676.db2.gz SUSIDAJQKLZZMP-CYBMUJFWSA-N 2 0 255.406 1.223 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001483929773 1161241314 /nfs/dbraw/zinc/24/13/14/1161241314.db2.gz OHQUTHHHWALVKI-HUUCEWRRSA-N 2 0 279.428 1.319 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC1(C)CC[NH+](CCF)CC1 ZINC001483977244 1161244556 /nfs/dbraw/zinc/24/45/56/1161244556.db2.gz WJYMERDRDCTRTM-UHFFFAOYSA-N 2 0 273.396 1.267 10 0 CDAERP CCCCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001733399699 1161342048 /nfs/dbraw/zinc/34/20/48/1161342048.db2.gz URONVNVPVOTCSD-HOCLYGCPSA-N 2 0 281.444 1.851 10 0 CDAERP C[NH+](C)CCN1CC[NH+](C[C@H]2CCCCC[C@@H]2O)CC1 ZINC000061654127 521764929 /nfs/dbraw/zinc/76/49/29/521764929.db2.gz FQXCEFYDSAVZHP-CVEARBPZSA-N 2 0 283.460 1.107 10 0 CDAERP CC[C@@H](C)[NH+]1CCN([C@H](C[NH3+])c2ccco2)CC1 ZINC000055063990 522132678 /nfs/dbraw/zinc/13/26/78/522132678.db2.gz XKFSSELOSZBKPA-CHWSQXEVSA-N 2 0 251.374 1.696 10 0 CDAERP CC(C)=CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001717497872 1180712397 /nfs/dbraw/zinc/71/23/97/1180712397.db2.gz JLNXIYXOYCVLIV-ZIAGYGMSSA-N 2 0 267.417 1.341 10 0 CDAERP CC[NH+]1CCC(N2CCC[N@H+](CC[C@H](C)O)CC2)CC1 ZINC000425477491 517655569 /nfs/dbraw/zinc/65/55/69/517655569.db2.gz OHANJMBKPRUMJG-HNNXBMFYSA-N 2 0 283.460 1.249 10 0 CDAERP CC(C)(C)[NH+]1CCN(Cc2cccnc2C[NH3+])CC1 ZINC000061656695 518712987 /nfs/dbraw/zinc/71/29/87/518712987.db2.gz DMCKMDCCEORNNL-UHFFFAOYSA-N 2 0 262.401 1.456 10 0 CDAERP CC(C)C[C@@H](C[NH2+]CC1CC[NH+](C)CC1)N1CCOCC1 ZINC000054240289 519211545 /nfs/dbraw/zinc/21/15/45/519211545.db2.gz JGXOEBPDONJWTL-KRWDZBQOSA-N 2 0 297.487 1.665 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)CCC1CCC([NH3+])CC1 ZINC000055131950 519619739 /nfs/dbraw/zinc/61/97/39/519619739.db2.gz OCUHGPWCDKYHLP-UHFFFAOYSA-N 2 0 269.433 1.741 10 0 CDAERP CC(C)CC[NH2+]CCN1CC[NH+](CC2CC2)CC1 ZINC000053447098 519662637 /nfs/dbraw/zinc/66/26/37/519662637.db2.gz BXUYZYYGMLWBSI-UHFFFAOYSA-N 2 0 253.434 1.650 10 0 CDAERP CC(C)[NH+]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])CC[C@@H]2C)CC1 ZINC000055129240 519680190 /nfs/dbraw/zinc/68/01/90/519680190.db2.gz MXWUXANTMWZMNH-IHRRRGAJSA-N 2 0 267.417 1.303 10 0 CDAERP CC(C)[N@@H+]1CC[C@](C[NH3+])(N2Cc3ccccc3C2)C1 ZINC000050910585 519690403 /nfs/dbraw/zinc/69/04/03/519690403.db2.gz REMGPDQJWKDNNL-MRXNPFEDSA-N 2 0 259.397 1.814 10 0 CDAERP CC(C)[NH2+]C[C@@H](C)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515256 519722784 /nfs/dbraw/zinc/72/27/84/519722784.db2.gz SMTIZYSJKRFVQR-CQSZACIVSA-N 3 0 255.450 1.894 10 0 CDAERP CC(C)[NH2+]C[C@@]1(C[N@@H+]2CCC[C@@H]2CCCO)CCOC1 ZINC000052763419 519724300 /nfs/dbraw/zinc/72/43/00/519724300.db2.gz QGCJQCIYRYHARZ-HZPDHXFCSA-N 2 0 284.444 1.628 10 0 CDAERP CC(C)C[NH+]1CCN(C2(C[NH3+])CCCCC2)CC1 ZINC000055078294 519725382 /nfs/dbraw/zinc/72/53/82/519725382.db2.gz FYYVMLOFOGQTCD-UHFFFAOYSA-N 2 0 253.434 1.922 10 0 CDAERP CC(C)C[NH+]1CCN(CC[NH2+][C@H](C)[C@H]2CCCO2)CC1 ZINC000055076048 519726214 /nfs/dbraw/zinc/72/62/14/519726214.db2.gz LIRSDCNMPJGKQD-HZPDHXFCSA-N 2 0 283.460 1.417 10 0 CDAERP CC(C)C[NH+]1CCN([C@@H]2Cc3ccccc3[C@H]2[NH3+])CC1 ZINC000055079025 519727879 /nfs/dbraw/zinc/72/78/79/519727879.db2.gz YWKGAKAWNHBBSK-IAGOWNOFSA-N 2 0 273.424 1.885 10 0 CDAERP CC(C)[NH2+]Cc1cccnc1N1CC[C@H]([NH+](C)C)C1 ZINC000062971179 519727931 /nfs/dbraw/zinc/72/79/31/519727931.db2.gz VLXCMHUXTWXSNJ-AWEZNQCLSA-N 2 0 262.401 1.720 10 0 CDAERP CC(C)C[NH+]1CCN([C@@H]2COc3ccccc3[C@@H]2[NH3+])CC1 ZINC000055078876 519728186 /nfs/dbraw/zinc/72/81/86/519728186.db2.gz OQCDPCCNBPYAAK-WBVHZDCISA-N 2 0 289.423 1.721 10 0 CDAERP CC(C)C[NH+]1CCN(c2ccc(C(N)=[NH2+])cn2)CC1 ZINC000055079645 519728285 /nfs/dbraw/zinc/72/82/85/519728285.db2.gz YSTSKAQYHRUIPB-UHFFFAOYSA-N 2 0 261.373 1.144 10 0 CDAERP CC(C)[NH2+]Cc1cn(CC[NH+]2CCCCCC2)nn1 ZINC000052381939 519728433 /nfs/dbraw/zinc/72/84/33/519728433.db2.gz BKPSVVYNTLQBFZ-UHFFFAOYSA-N 2 0 265.405 1.652 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CC[C@@H](COCCC[NH+](C)C)O1 ZINC000052672668 519745330 /nfs/dbraw/zinc/74/53/30/519745330.db2.gz MMOONOFGIDZPJB-GJZGRUSLSA-N 2 0 272.433 1.748 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CC[C@H](C[N@@H+]2CCC[C@@H]2CN(C)C)O1 ZINC000061654524 519746513 /nfs/dbraw/zinc/74/65/13/519746513.db2.gz JZUWXZXRJOAIHT-BRWVUGGUSA-N 2 0 297.487 1.806 10 0 CDAERP CC(C)[C@@H](CNC(=O)[C@@]1(C)CCC[NH2+]C1)[NH+]1CCCC1 ZINC000062859274 519794613 /nfs/dbraw/zinc/79/46/13/519794613.db2.gz QYTVFDCPFRMEFZ-ZBFHGGJFSA-N 2 0 281.444 1.613 10 0 CDAERP CCC[NH+]1CCN(C(=O)C[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000055124590 519855876 /nfs/dbraw/zinc/85/58/76/519855876.db2.gz YOIVOLSEDWOODM-KGLIPLIRSA-N 2 0 267.417 1.448 10 0 CDAERP CCC[NH+]1CCN(C(=O)C[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000055124549 519856185 /nfs/dbraw/zinc/85/61/85/519856185.db2.gz MBQYRFCUJHNISF-KGLIPLIRSA-N 2 0 267.417 1.448 10 0 CDAERP CCC[NH+]1CCN(C(=O)[C@H]2CCC[C@H](C[NH3+])C2)CC1 ZINC000055146071 519856358 /nfs/dbraw/zinc/85/63/58/519856358.db2.gz SVYWAZVOJJWKKZ-KBPBESRZSA-N 2 0 267.417 1.306 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000061296977 519905014 /nfs/dbraw/zinc/90/50/14/519905014.db2.gz XJVDEPYDJMAHKZ-CYBMUJFWSA-N 2 0 269.433 1.613 10 0 CDAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC[NH+]1CCCC1 ZINC000054628586 519910507 /nfs/dbraw/zinc/91/05/07/519910507.db2.gz BBUMUBPFRJMIKJ-GOOCMWNKSA-N 2 0 251.418 1.687 10 0 CDAERP CC[NH2+]CCC(=O)NCc1ccccc1C[NH+](C)C ZINC000061298839 519916710 /nfs/dbraw/zinc/91/67/10/519916710.db2.gz HBEYAYGYJFCDDN-UHFFFAOYSA-N 2 0 263.385 1.364 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@H](C[N@@H+]2CCCN(C)CC2)O1 ZINC000052424363 519926899 /nfs/dbraw/zinc/92/68/99/519926899.db2.gz HUSCEMFNBROQKD-LSDHHAIUSA-N 2 0 269.433 1.171 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@@H](CN2CC[NH+](C(C)C)CC2)O1 ZINC000052480119 519952851 /nfs/dbraw/zinc/95/28/51/519952851.db2.gz FPKREXYMYFQCEN-GJZGRUSLSA-N 2 0 269.433 1.170 10 0 CDAERP CC[NH2+]C[C@@]1(C[N@@H+]2CCC[C@@H]2CCCO)CCOC1 ZINC000052763415 519957515 /nfs/dbraw/zinc/95/75/15/519957515.db2.gz IOEGWWPNXHTKPA-HUUCEWRRSA-N 2 0 270.417 1.240 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)N(C)C1CC[NH+](CC)CC1 ZINC000061229957 519959324 /nfs/dbraw/zinc/95/93/24/519959324.db2.gz BHRHCCLCZVSNBF-LBPRGKRZSA-N 2 0 255.406 1.175 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@@H+]2C[C@@H](C)OC[C@@H]2CC)O1 ZINC000052571184 519980249 /nfs/dbraw/zinc/98/02/49/519980249.db2.gz VBARCJKJJDFPFY-BARDWOONSA-N 2 0 270.417 1.643 10 0 CDAERP CC[NH2+]C[C@]1(CN2CC[NH+](CC(C)C)CC2)CCOC1 ZINC000055081714 519982882 /nfs/dbraw/zinc/98/28/82/519982882.db2.gz NILAIMRVHWCGSN-INIZCTEOSA-N 2 0 283.460 1.276 10 0 CDAERP CC[NH2+][C@@H]1CCCC[C@H]1C[NH+](CCOC)CCOC ZINC000053859494 520116105 /nfs/dbraw/zinc/11/61/05/520116105.db2.gz PUXRACFEQIMGGA-LSDHHAIUSA-N 2 0 272.433 1.750 10 0 CDAERP CCO[C@@H](C[NH3+])CC[N@H+](CC)Cc1ccncc1 ZINC000062741067 520308002 /nfs/dbraw/zinc/30/80/02/520308002.db2.gz PJTKIHKCRSDDFM-CQSZACIVSA-N 2 0 251.374 1.657 10 0 CDAERP CC[NH+](CC)CCNC(=O)[C@@H]1CC[C@H](C)[C@H]([NH3+])C1 ZINC000055122954 520678440 /nfs/dbraw/zinc/67/84/40/520678440.db2.gz JBNTZHCCWDKTJS-YNEHKIRRSA-N 2 0 255.406 1.208 10 0 CDAERP CC[NH+](CC)CCNC(=O)[C@@H]1C[C@@H]([NH3+])CC[C@@H]1C ZINC000055122998 520681365 /nfs/dbraw/zinc/68/13/65/520681365.db2.gz IYGWYDNJMQZANG-RWMBFGLXSA-N 2 0 255.406 1.208 10 0 CDAERP CC[NH+](CC)CCc1nccc(C[NH2+]CCOC)n1 ZINC000054792571 520714175 /nfs/dbraw/zinc/71/41/75/520714175.db2.gz UMJOKHPPPZSFSI-UHFFFAOYSA-N 2 0 266.389 1.097 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@H]2CCC[C@H](C)[C@@H]2[NH3+])CC1 ZINC000055140050 521550701 /nfs/dbraw/zinc/55/07/01/521550701.db2.gz SVMROQLMHIMAQY-QEJZJMRPSA-N 2 0 281.444 1.598 10 0 CDAERP C[NH+](C)CCN1CCN(c2cccc(Cl)c2C[NH3+])CC1 ZINC000061641619 521767993 /nfs/dbraw/zinc/76/79/93/521767993.db2.gz WGKHQKUDTPKKKX-UHFFFAOYSA-N 2 0 296.846 1.482 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000061653596 521832458 /nfs/dbraw/zinc/83/24/58/521832458.db2.gz QJVWSPXQJPTPRO-AWEZNQCLSA-N 2 0 276.384 1.703 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000061652385 521838615 /nfs/dbraw/zinc/83/86/15/521838615.db2.gz RXBRGLQSVKNTPZ-IRXDYDNUSA-N 2 0 273.424 1.727 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1Cc1[nH+]c(NN)ccc1Cl ZINC000061653316 521841632 /nfs/dbraw/zinc/84/16/32/521841632.db2.gz UGPHZKCCODWJSE-JTQLQIEISA-N 2 0 283.807 1.547 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)C1(C[NH3+])CCCCCC1 ZINC000061644060 521861649 /nfs/dbraw/zinc/86/16/49/521861649.db2.gz AUZOVZWBQMSLGP-CQSZACIVSA-N 2 0 281.444 1.838 10 0 CDAERP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@@H]1COCCO1 ZINC000054602330 521954851 /nfs/dbraw/zinc/95/48/51/521954851.db2.gz VMHVKUWMAAXAGH-WTUNAVPPSA-N 2 0 254.374 1.007 10 0 CDAERP C[NH2+]CC1(C[N@H+](CCCO)C(C)C)CCOCC1 ZINC000052198103 521968493 /nfs/dbraw/zinc/96/84/93/521968493.db2.gz YHDAITREADVWFK-UHFFFAOYSA-N 2 0 258.406 1.095 10 0 CDAERP C[NH2+]CCN(C)C1CC[NH+](CCc2ccccc2)CC1 ZINC000070303446 522005015 /nfs/dbraw/zinc/00/50/15/522005015.db2.gz MCNFEKCDFMVYPE-UHFFFAOYSA-N 2 0 275.440 1.845 10 0 CDAERP C[NH2+]Cc1cccc(OCCN2CCC[C@@H]2C[NH+](C)C)c1 ZINC000061654439 522133012 /nfs/dbraw/zinc/13/30/12/522133012.db2.gz PZNOAQPNVHOPCO-MRXNPFEDSA-N 2 0 291.439 1.811 10 0 CDAERP C[NH2+]Cc1cccc(OCCN2CCC[C@H]2C[NH+](C)C)c1 ZINC000061654440 522134724 /nfs/dbraw/zinc/13/47/24/522134724.db2.gz PZNOAQPNVHOPCO-INIZCTEOSA-N 2 0 291.439 1.811 10 0 CDAERP C[NH2+]Cc1cn(CC[N@H+](CC(C)C)C2CC2)nn1 ZINC000052515766 522141790 /nfs/dbraw/zinc/14/17/90/522141790.db2.gz QHSVFXLUUHMEEZ-UHFFFAOYSA-N 2 0 251.378 1.118 10 0 CDAERP CC[C@H]1CCC(=O)[C@@H](C[NH+]2CCN(CC[NH+](C)C)CC2)C1 ZINC000061653426 522991961 /nfs/dbraw/zinc/99/19/61/522991961.db2.gz XUCUQNKCAXOFPK-JKSUJKDBSA-N 2 0 295.471 1.561 10 0 CDAERP COCC[N@H+](C[C@H](C)C[NH2+]C(C)(C)C)[C@@H](C)COC ZINC000052572301 523730888 /nfs/dbraw/zinc/73/08/88/523730888.db2.gz HVKWOEYPEHBIOH-KGLIPLIRSA-N 2 0 274.449 1.994 10 0 CDAERP COCC[N@H+](C[C@H](C)C[NH2+]C(C)C)[C@@H](C)COC ZINC000052572296 523732894 /nfs/dbraw/zinc/73/28/94/523732894.db2.gz VQAVIQPSBAQMIQ-KGLIPLIRSA-N 2 0 260.422 1.604 10 0 CDAERP COCC[N@H+](Cc1ccnc(C[NH3+])c1)[C@H](C)C1CC1 ZINC000068750255 523768429 /nfs/dbraw/zinc/76/84/29/523768429.db2.gz SAROFNHHPVFAOC-GFCCVEGCSA-N 2 0 263.385 1.787 10 0 CDAERP C[NH+]1CCC(OC(=O)[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000061609956 523781241 /nfs/dbraw/zinc/78/12/41/523781241.db2.gz MQLRGORDUMQIES-AWEZNQCLSA-N 2 0 262.353 1.366 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)c2cccn2C2CC[NH2+]CC2)C1 ZINC000054443646 523844452 /nfs/dbraw/zinc/84/44/52/523844452.db2.gz DKZVOHMWNLRHGH-ZDUSSCGKSA-N 2 0 290.411 1.237 10 0 CDAERP C[NH+]1CCN(CC[NH2+][C@H]2CCCC[C@H]2C(F)(F)F)CC1 ZINC000069392400 523903514 /nfs/dbraw/zinc/90/35/14/523903514.db2.gz GZCCLCUZDGADFY-OLZOCXBDSA-N 2 0 293.377 1.945 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)c1c[nH+]ccc1N(C)C ZINC000183509724 523920079 /nfs/dbraw/zinc/92/00/79/523920079.db2.gz LKVKMKBNMAJAGF-LBPRGKRZSA-N 2 0 278.400 1.608 10 0 CDAERP C[NH+]1CCN(c2cc(C(N)=[NH2+])c3ccccc3n2)CC1 ZINC000068797542 523921943 /nfs/dbraw/zinc/92/19/43/523921943.db2.gz AWWFNPFLLCDUAL-UHFFFAOYSA-N 2 0 269.352 1.271 10 0 CDAERP CC[C@H](C)[N@H+](CCOC)CC1(C[NH3+])CCOCC1 ZINC000052183569 523939191 /nfs/dbraw/zinc/93/91/91/523939191.db2.gz HYQOQHLDOSWIER-ZDUSSCGKSA-N 2 0 258.406 1.489 10 0 CDAERP COCC[NH2+]Cc1cnc(N2CCC[C@@H]2C[NH+](C)C)s1 ZINC000061655462 523957173 /nfs/dbraw/zinc/95/71/73/523957173.db2.gz BWTOCLDEKVSEGS-GFCCVEGCSA-N 2 0 298.456 1.410 10 0 CDAERP CC[C@H](C)[NH+]1CCN(c2ncc(C[NH2+]C)s2)CC1 ZINC000055076194 523961345 /nfs/dbraw/zinc/96/13/45/523961345.db2.gz PKNVTQKRQHXLAC-NSHDSACASA-N 2 0 268.430 1.783 10 0 CDAERP CC[C@H](C)[NH+]1CCN(c2nc3sccn3c2C[NH3+])CC1 ZINC000055068756 523962007 /nfs/dbraw/zinc/96/20/07/523962007.db2.gz JFUWUVIEZGQPSH-NSHDSACASA-N 2 0 293.440 1.775 10 0 CDAERP CC[C@H](C)NC(=O)CC[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]C)C2 ZINC000054629538 523963630 /nfs/dbraw/zinc/96/36/30/523963630.db2.gz XHVKHXLPGGVVSR-FUDCBSFHSA-N 2 0 267.417 1.506 10 0 CDAERP C[NH+](C)CCCCNC(=O)C1CCC(C[NH3+])CC1 ZINC000055162588 524052463 /nfs/dbraw/zinc/05/24/63/524052463.db2.gz HHVDUAHELFNLLL-UHFFFAOYSA-N 2 0 255.406 1.210 10 0 CDAERP C[NH+](C)CCCNC(=O)CCC1CCC([NH3+])CC1 ZINC000055123791 524056602 /nfs/dbraw/zinc/05/66/02/524056602.db2.gz HNSTUUOPQRCHSB-UHFFFAOYSA-N 2 0 255.406 1.352 10 0 CDAERP C[C@@H](C(=O)N1CCCc2cc(C[NH3+])ccc21)[C@H](C)[NH3+] ZINC000364782411 524122440 /nfs/dbraw/zinc/12/24/40/524122440.db2.gz HVNOOFXFPHMHOQ-MNOVXSKESA-N 2 0 261.369 1.408 10 0 CDAERP C[C@H](CC[NH+](C)C)NS(=O)(=O)c1cccc([C@H](C)[NH3+])c1 ZINC000049560568 524165743 /nfs/dbraw/zinc/16/57/43/524165743.db2.gz DWCUKZYCYKJSAO-NEPJUHHUSA-N 2 0 299.440 1.325 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)C[C@H]1CCCC[NH2+]1 ZINC000049502513 524329482 /nfs/dbraw/zinc/32/94/82/524329482.db2.gz JTWGIASLLMICHJ-ZIAGYGMSSA-N 2 0 267.417 1.509 10 0 CDAERP C[C@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000061656199 524414988 /nfs/dbraw/zinc/41/49/88/524414988.db2.gz NAEHVNZJHRXBNQ-FQUUOJAGSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@@H](C[NH3+])C[N@@H+]1CCCN(c2ncnc3c2CCC3)CC1 ZINC000061276306 524582418 /nfs/dbraw/zinc/58/24/18/524582418.db2.gz GFVLPDYSMUNBLH-ZDUSSCGKSA-N 2 0 289.427 1.072 10 0 CDAERP C[C@@H](C[NH3+])CN1CC[NH+](CCCOc2ccccc2)CC1 ZINC000061815638 524584121 /nfs/dbraw/zinc/58/41/21/524584121.db2.gz ZDZBGNJCCSZSOZ-INIZCTEOSA-N 2 0 291.439 1.668 10 0 CDAERP C[C@@H]1CC[C@@H](C[NH3+])[C@H]([N@@H+]2CCC[C@@H]2CN(C)C)C1 ZINC000061642533 524590354 /nfs/dbraw/zinc/59/03/54/524590354.db2.gz VGMOBCXZYCLBBJ-LXTVHRRPSA-N 2 0 253.434 1.776 10 0 CDAERP C[C@@H]1C[C@@H]([NH3+])CC[C@@H]1C(=O)N1CCC([NH+](C)C)CC1 ZINC000055128249 525247865 /nfs/dbraw/zinc/24/78/65/525247865.db2.gz LVCCRJGXEIPNFX-DYEKYZERSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@H]([NH2+]CCN1CCC[C@@H]1C[NH+](C)C)c1ccco1 ZINC000061655094 525352521 /nfs/dbraw/zinc/35/25/21/525352521.db2.gz PHMIQOCNIXQQOP-UONOGXRCSA-N 2 0 265.401 1.956 10 0 CDAERP COc1cccc(C[N@H+](C)CC2(C[NH3+])CCOCC2)c1 ZINC000052198193 525911877 /nfs/dbraw/zinc/91/18/77/525911877.db2.gz IKWIZFCITNCIRU-UHFFFAOYSA-N 2 0 278.396 1.883 10 0 CDAERP Cc1ccc(C(N)=[NH2+])c(N2CCC[C@@H]2C[NH+](C)C)c1 ZINC000061644630 526012393 /nfs/dbraw/zinc/01/23/93/526012393.db2.gz PTILNQQCZNRSLL-GFCCVEGCSA-N 2 0 260.385 1.809 10 0 CDAERP c1csc(N2CC[NH+](CCC[C@H]3CCC[NH2+]3)CC2)n1 ZINC000052764573 526583666 /nfs/dbraw/zinc/58/36/66/526583666.db2.gz MUMXWLPHWLAAEZ-CYBMUJFWSA-N 2 0 280.441 1.797 10 0 CDAERP NC(=O)C[N@H+](CCC[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000052764507 526881796 /nfs/dbraw/zinc/88/17/96/526881796.db2.gz VDKMOMJTNAPSGW-GFCCVEGCSA-N 2 0 253.390 1.249 10 0 CDAERP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)[C@H]1CCC[NH2+]1 ZINC000246539643 527045402 /nfs/dbraw/zinc/04/54/02/527045402.db2.gz JMPNNHCNHHZHHA-UONOGXRCSA-N 2 0 265.401 1.119 10 0 CDAERP [NH3+]CC1CCC(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]23)CC1 ZINC000055162644 527165318 /nfs/dbraw/zinc/16/53/18/527165318.db2.gz GTAGMISLLROLOC-PQAZSJQKSA-N 2 0 265.401 1.104 10 0 CDAERP [NH3+]CCCC[NH+]1CCN(C(=O)CC[C@H]2CCCCO2)CC1 ZINC000069383450 527176338 /nfs/dbraw/zinc/17/63/38/527176338.db2.gz OAADEYJGUXVNHI-OAHLLOKOSA-N 2 0 297.443 1.219 10 0 CDAERP [NH3+]CCNC(=O)C[NH+]1CCC2(CCCCC2)CC1 ZINC000061818683 527185702 /nfs/dbraw/zinc/18/57/02/527185702.db2.gz FKDXPFJTNNAFJR-UHFFFAOYSA-N 2 0 253.390 1.108 10 0 CDAERP NC(=O)CC1CC[NH+]([C@H](CC[NH3+])c2ccccc2)CC1 ZINC000055017027 527193519 /nfs/dbraw/zinc/19/35/19/527193519.db2.gz HOKNSRTXGBYOFE-OAHLLOKOSA-N 2 0 275.396 1.664 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H](C(=O)NCC[NH+]2CCCCCC2)C1 ZINC000055161890 527235855 /nfs/dbraw/zinc/23/58/55/527235855.db2.gz WXHFUOMNFVXMOA-GJZGRUSLSA-N 2 0 281.444 1.744 10 0 CDAERP NNc1[nH+]cccc1C[N@H+](CCO)C1CCCC1 ZINC000052720717 527287563 /nfs/dbraw/zinc/28/75/63/527287563.db2.gz PVTMXQFMZYTYLI-UHFFFAOYSA-N 2 0 250.346 1.104 10 0 CDAERP [NH3+][C@H]1CCC[C@@H](CC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000055140957 527402950 /nfs/dbraw/zinc/40/29/50/527402950.db2.gz NTDFMKMXWYXFNX-BARDWOONSA-N 2 0 279.428 1.637 10 0 CDAERP OC1(C[N@H+](Cc2cccs2)C2CC2)CC[NH2+]CC1 ZINC000051016333 527507249 /nfs/dbraw/zinc/50/72/49/527507249.db2.gz IFXDFJNCKFRQDK-UHFFFAOYSA-N 2 0 266.410 1.827 10 0 CDAERP OCC[N@H+](CC1(C[NH2+]C2CC2)CCOCC1)C1CCCC1 ZINC000052183185 527547772 /nfs/dbraw/zinc/54/77/72/527547772.db2.gz JGNLRDNZYVBHCM-UHFFFAOYSA-N 2 0 296.455 1.772 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(OC)cc1 ZINC000234730871 536596515 /nfs/dbraw/zinc/59/65/15/536596515.db2.gz NGWSZQWXCCHESP-CYBMUJFWSA-N 2 0 252.358 1.539 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccoc2)CC1 ZINC000727466202 574584217 /nfs/dbraw/zinc/58/42/17/574584217.db2.gz ZGKHFLFNOIVDEJ-CYBMUJFWSA-N 2 0 251.374 1.395 10 0 CDAERP Cc1nn(C)c2sc([C@H]3C[C@H]([NH3+])CC[NH2+]3)cc12 ZINC000757216044 574908150 /nfs/dbraw/zinc/90/81/50/574908150.db2.gz PDGLVJIFXLNWJD-PSASIEDQSA-N 2 0 250.371 1.695 10 0 CDAERP CC[N@H+](C)CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001689869142 1175290827 /nfs/dbraw/zinc/29/08/27/1175290827.db2.gz BWJAYIGUUAVIAR-UHFFFAOYSA-N 2 0 255.406 1.176 10 0 CDAERP CC[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)CC1CC1 ZINC001689955006 1175321434 /nfs/dbraw/zinc/32/14/34/1175321434.db2.gz RYQXCIGABPAIOW-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@H+](CCCF)C1 ZINC001690108764 1175377092 /nfs/dbraw/zinc/37/70/92/1175377092.db2.gz QBYCQNLIVQLAKM-CYBMUJFWSA-N 2 0 273.396 1.268 10 0 CDAERP CC1(C)[C@@H]([NH2+]CCCOC[C@@H]2CCCO2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925521867 617434208 /nfs/dbraw/zinc/43/42/08/617434208.db2.gz WVXYUFVDYAGQNI-FZKCQIBNSA-N 2 0 296.455 1.938 10 0 CDAERP C[NH+](C)[C@@]1(CN[C@@H]2CC[NH2+]C23CCC3)CCSC1 ZINC000925532771 617466551 /nfs/dbraw/zinc/46/65/51/617466551.db2.gz YHMHWZPSDPDNPY-CHWSQXEVSA-N 2 0 269.458 1.298 10 0 CDAERP COc1ccc([C@H](O)C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925538900 617477095 /nfs/dbraw/zinc/47/70/95/617477095.db2.gz UNBRSNLNNJQCOR-RBSFLKMASA-N 2 0 276.380 1.588 10 0 CDAERP CC[C@H]([NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)C(=O)N1CCOCC1 ZINC000925542940 617486824 /nfs/dbraw/zinc/48/68/24/617486824.db2.gz SAMDQUSHLUHCCL-IHRRRGAJSA-N 2 0 297.443 1.119 10 0 CDAERP COC(=O)N1CCC[C@H]([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925565605 617514504 /nfs/dbraw/zinc/51/45/04/617514504.db2.gz VCUHZWWRDNZNSR-SDDRHHMPSA-N 2 0 267.373 1.077 10 0 CDAERP CC1(C)C[C@@H]([NH2+][C@@H]2CCc3n[nH]cc3C2)C[C@@H]([NH3+])C1 ZINC000925583202 617531719 /nfs/dbraw/zinc/53/17/19/617531719.db2.gz KJNKKRAKXVISLG-UPJWGTAASA-N 2 0 262.401 1.763 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000925822804 617795340 /nfs/dbraw/zinc/79/53/40/617795340.db2.gz OMEMDOXSKNQUNG-UKRRQHHQSA-N 2 0 263.385 1.876 10 0 CDAERP C[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)C(C)(C)C ZINC000925857387 617896546 /nfs/dbraw/zinc/89/65/46/617896546.db2.gz ZOJADXVDPXVRPE-VXGBXAGGSA-N 2 0 268.401 1.696 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CC2(S(C)(=O)=O)CCC2)C1 ZINC000925661314 617606359 /nfs/dbraw/zinc/60/63/59/617606359.db2.gz DALCVAIKLIVYFP-VXGBXAGGSA-N 2 0 288.457 1.449 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2ccc3c[nH]nc3c2)C12CCC2 ZINC000925665361 617616149 /nfs/dbraw/zinc/61/61/49/617616149.db2.gz DPQJCTNUHJRBHT-HUUCEWRRSA-N 2 0 270.380 1.965 10 0 CDAERP C[NH+](C)CCOCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccn1 ZINC000926252493 617630589 /nfs/dbraw/zinc/63/05/89/617630589.db2.gz FEKSIBXWRCMKAK-NVXWUHKLSA-N 2 0 291.439 1.961 10 0 CDAERP CN1C[C@H](CC[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1=O ZINC000925812713 617757414 /nfs/dbraw/zinc/75/74/14/617757414.db2.gz NFMPRBSHULCGAL-JHJVBQTASA-N 2 0 267.417 1.350 10 0 CDAERP Cc1cc(CC[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)nn1C ZINC000925836022 617865225 /nfs/dbraw/zinc/86/52/25/617865225.db2.gz ZEMHWEADBMCSGN-OCCSQVGLSA-N 2 0 264.417 1.767 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])[NH2+]CC[C@H](N(C)C)C(F)(F)F ZINC000925837767 617867814 /nfs/dbraw/zinc/86/78/14/617867814.db2.gz SNBCXMRGDDDIFS-AEJSXWLSSA-N 2 0 255.328 1.584 10 0 CDAERP C[C@H]1C[C@H]([NH2+]CCCCCN2CC[NH2+]CC2)CC[N@@H+]1C ZINC000925843617 617876478 /nfs/dbraw/zinc/87/64/78/617876478.db2.gz FYVXNAUKWVOVGE-JKSUJKDBSA-N 3 0 282.476 1.134 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CCCCCN2CC[NH2+]CC2)c2nccn21 ZINC000925845006 617879237 /nfs/dbraw/zinc/87/92/37/617879237.db2.gz DPKYJCPKGVKEJY-HUUCEWRRSA-N 2 0 291.443 1.554 10 0 CDAERP C[C@H]1CCNC[C@@H]1[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925883327 617967597 /nfs/dbraw/zinc/96/75/97/617967597.db2.gz XWGFHWLTOQARKN-QSPRXWTASA-N 2 0 273.424 1.633 10 0 CDAERP C(C[NH2+]C1CC1)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000923363115 618322546 /nfs/dbraw/zinc/32/25/46/618322546.db2.gz UILYMBLEQHYQLC-UONOGXRCSA-N 3 0 251.418 1.450 10 0 CDAERP C[C@H](N[C@H]1C[C@H]([NH3+])C[C@@H]1O)c1ccc(C(F)(F)F)nc1 ZINC000923427667 618335743 /nfs/dbraw/zinc/33/57/43/618335743.db2.gz USKZYHDBUCMTAA-ASXGKARISA-N 2 0 289.301 1.602 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C1CCC1)[C@H]1CCOC1 ZINC000924995422 618570416 /nfs/dbraw/zinc/57/04/16/618570416.db2.gz YYWCAEGIUUJFNZ-HYVNUMGLSA-N 2 0 295.471 1.417 10 0 CDAERP Cc1cc([C@@H]([NH3+])CC(=O)NC2CC[NH2+]CC2)cc(Cl)n1 ZINC000832212459 618640450 /nfs/dbraw/zinc/64/04/50/618640450.db2.gz CHSIAONPMWXNGB-LBPRGKRZSA-N 2 0 296.802 1.302 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCC[NH+]1CCC[C@H]1CO ZINC000925022327 618794398 /nfs/dbraw/zinc/79/43/98/618794398.db2.gz GSOQLGYAPDJZID-TVXGVJEUSA-N 3 0 295.471 1.153 10 0 CDAERP C([NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000902742149 625301371 /nfs/dbraw/zinc/30/13/71/625301371.db2.gz KSJAWNDIYMVBBA-OLTDLULHSA-N 2 0 276.424 1.874 10 0 CDAERP C[C@@H]1[C@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[N@@H+]1C ZINC000928439360 619082693 /nfs/dbraw/zinc/08/26/93/619082693.db2.gz NTWYWFAFBDOTBR-UKRRQHHQSA-N 2 0 281.444 1.850 10 0 CDAERP C([NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)[C@H]1CN2CCC[C@@H]2CO1 ZINC000902793085 625407125 /nfs/dbraw/zinc/40/71/25/625407125.db2.gz FKHASMIHBYLLRN-DVHVHUQNSA-N 2 0 292.423 1.253 10 0 CDAERP CC[C@H]1CCN(C(=[NH2+])NCC[N@@H+]2CC[C@H](C)C2)C1 ZINC000864455905 620923549 /nfs/dbraw/zinc/92/35/49/620923549.db2.gz APQLESGWMLUPLU-STQMWFEESA-N 2 0 252.406 1.584 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])NCCC1CC1 ZINC000864458523 620926146 /nfs/dbraw/zinc/92/61/46/620926146.db2.gz MRGPNSLPQCJGSQ-ZDUSSCGKSA-N 2 0 252.406 1.775 10 0 CDAERP C([C@@H]1CCCO1)N1CCC([NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC000897814513 621116653 /nfs/dbraw/zinc/11/66/53/621116653.db2.gz VEWKAHQOJNKQJP-NEXGVSGLSA-N 2 0 292.423 1.395 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)CC1 ZINC000902814840 625468115 /nfs/dbraw/zinc/46/81/15/625468115.db2.gz REPNYBARZVRCIQ-BTTYYORXSA-N 2 0 252.402 1.611 10 0 CDAERP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000925333204 621580811 /nfs/dbraw/zinc/58/08/11/621580811.db2.gz UQKNJZKOQZOVPD-UMVBOHGHSA-N 2 0 296.459 1.451 10 0 CDAERP CC(C)[C@H](C[NH2+]C1[C@@H](C)COC[C@@H]1C)N1CC[NH+](C)CC1 ZINC000924631375 621610643 /nfs/dbraw/zinc/61/06/43/621610643.db2.gz MIUKWJVISILPQL-JYJNAYRXSA-N 2 0 297.487 1.519 10 0 CDAERP C[NH+]1CCC(OCC(=O)OCC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000923794336 621616932 /nfs/dbraw/zinc/61/69/32/621616932.db2.gz PFIXMVYGWNJGRQ-AWEZNQCLSA-N 2 0 298.427 1.515 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccns2)CC1 ZINC000924667469 621645370 /nfs/dbraw/zinc/64/53/70/621645370.db2.gz KEYNEMMTORLATJ-OLZOCXBDSA-N 2 0 282.457 1.820 10 0 CDAERP C[NH+](C)C[C@](C)(O)C[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1 ZINC000902886387 625576699 /nfs/dbraw/zinc/57/66/99/625576699.db2.gz NQTRCSKUBARGGH-YESZJQIVSA-N 2 0 298.471 1.874 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000900959072 623726310 /nfs/dbraw/zinc/72/63/10/623726310.db2.gz UFSSNEZXLRBWGZ-CHWSQXEVSA-N 2 0 265.401 1.071 10 0 CDAERP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC000901255803 624073111 /nfs/dbraw/zinc/07/31/11/624073111.db2.gz KBVSIRGTFAPNFH-ZDUSSCGKSA-N 2 0 279.428 1.271 10 0 CDAERP C([NH2+][C@@H]1CCO[C@@]12CCOC2)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000903064253 625812638 /nfs/dbraw/zinc/81/26/38/625812638.db2.gz ALAYOYBAMJEJPZ-NWANDNLSSA-N 2 0 266.385 1.008 10 0 CDAERP c1[nH+]cn2cc(C[NH2+][C@@H]3CCO[C@]34CCOC4)ccc12 ZINC000903184424 625883336 /nfs/dbraw/zinc/88/33/36/625883336.db2.gz XROYWXCEHPCSKM-CABCVRRESA-N 2 0 273.336 1.372 10 0 CDAERP CCCC(=O)NC1CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903431489 625990027 /nfs/dbraw/zinc/99/00/27/625990027.db2.gz WJJPBPOLRQRTNI-OLZOCXBDSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCc2ccc(O)cc2CC1 ZINC000903432570 625990397 /nfs/dbraw/zinc/99/03/97/625990397.db2.gz FCOYYZOKRJUWQU-DOMZBBRYSA-N 2 0 260.381 1.648 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000903442445 625997224 /nfs/dbraw/zinc/99/72/24/625997224.db2.gz QXPCCKDVCOPIAP-OCCSQVGLSA-N 2 0 289.427 1.259 10 0 CDAERP [NH3+]CCC[N@@H+](Cc1ccccc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903449866 626000086 /nfs/dbraw/zinc/00/00/86/626000086.db2.gz JRGUOAADATXDQG-CVEARBPZSA-N 3 0 261.413 1.965 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000903455490 626001909 /nfs/dbraw/zinc/00/19/09/626001909.db2.gz WSEOZJIEOKUWNH-XBFCOCLRSA-N 2 0 289.427 1.717 10 0 CDAERP CO[C@@H]1CC[C@@H]2OCC[N@H+](C[C@@H]3CC[C@H]([NH3+])C3)[C@@H]2C1 ZINC000903457445 626002773 /nfs/dbraw/zinc/00/27/73/626002773.db2.gz STENIEPRADMMCQ-KHMAMNHCSA-N 2 0 268.401 1.382 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000903474224 626004600 /nfs/dbraw/zinc/00/46/00/626004600.db2.gz JHRREHZUIJELKG-WISYIIOYSA-N 2 0 279.350 1.301 10 0 CDAERP CC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903474908 626004866 /nfs/dbraw/zinc/00/48/66/626004866.db2.gz UEQPRVGQQYMGLH-RDBSUJKOSA-N 2 0 253.390 1.104 10 0 CDAERP C([C@@H]1C[C@@H]2COC[C@@H]2O1)[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000903713184 626069410 /nfs/dbraw/zinc/06/94/10/626069410.db2.gz HQEWIHWOEQBYHF-UGFHNGPFSA-N 2 0 266.385 1.007 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCC[C@H](C)CC2)cnn1C ZINC000903890185 626124326 /nfs/dbraw/zinc/12/43/26/626124326.db2.gz YYSLVHOCIQRNMW-ZFWWWQNUSA-N 2 0 278.444 1.968 10 0 CDAERP CSCC[C@H](C)[N@H+](C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903897443 626137065 /nfs/dbraw/zinc/13/70/65/626137065.db2.gz ZARMGUGAHOILEG-STQMWFEESA-N 2 0 297.472 1.776 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CC[C@@H](C(C)C)C2)cnn1C ZINC000903898925 626137638 /nfs/dbraw/zinc/13/76/38/626137638.db2.gz PNJUUFCGTHWOEU-LSDHHAIUSA-N 2 0 278.444 1.824 10 0 CDAERP C[N@H+](CCC1CC1)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903900034 626138230 /nfs/dbraw/zinc/13/82/30/626138230.db2.gz YGTWWVVSWDLSOY-CYBMUJFWSA-N 2 0 263.389 1.435 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[NH2+]Cc2cccs2)cnn1C ZINC000903919542 626146676 /nfs/dbraw/zinc/14/66/76/626146676.db2.gz DOOIMSLHSWSCHF-GFCCVEGCSA-N 2 0 278.425 1.697 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@H](C3CCC3)C2)cnn1C ZINC000903930019 626151183 /nfs/dbraw/zinc/15/11/83/626151183.db2.gz QELJNORSDUCKGQ-ZBFHGGJFSA-N 2 0 290.455 1.968 10 0 CDAERP CC(C)(C)[NH2+]CCN1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903959737 626159970 /nfs/dbraw/zinc/15/99/70/626159970.db2.gz NEZSIAQZESYCEV-HNNXBMFYSA-N 2 0 253.434 1.840 10 0 CDAERP C[C@]1(C[NH+]2CCC(Nc3ccccn3)CC2)CC[NH2+]C1 ZINC000903960427 626160285 /nfs/dbraw/zinc/16/02/85/626160285.db2.gz JVDIPFSYBFWQSS-INIZCTEOSA-N 2 0 274.412 1.958 10 0 CDAERP C[C@]1(CN2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)CC[NH2+]C1 ZINC000903983076 626167778 /nfs/dbraw/zinc/16/77/78/626167778.db2.gz BGDGEEDENUMIOV-VWYCJHECSA-N 2 0 265.323 1.198 10 0 CDAERP Cc1c(Cl)c(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)nn1C ZINC000903977733 626169822 /nfs/dbraw/zinc/16/98/22/626169822.db2.gz AJXNJIDWYNZQKZ-MWLCHTKSSA-N 2 0 270.808 1.799 10 0 CDAERP C[C@@H](O)c1ncc(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)s1 ZINC000903979082 626170317 /nfs/dbraw/zinc/17/03/17/626170317.db2.gz VBLXPXWSVQIQEB-GMTAPVOTSA-N 2 0 269.414 1.532 10 0 CDAERP C(C[C@H]1CCC[NH2+]C1)c1nc(CC2CC[NH2+]CC2)no1 ZINC000905308456 626757521 /nfs/dbraw/zinc/75/75/21/626757521.db2.gz KGBFWHIIKCEPMJ-CYBMUJFWSA-N 2 0 278.400 1.544 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)C2(O)CCCC2)C[C@H]1C ZINC000905934760 627049882 /nfs/dbraw/zinc/04/98/82/627049882.db2.gz RAILOEGSUTZTBQ-ILXRZTDVSA-N 2 0 284.444 1.457 10 0 CDAERP C[NH+](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000906630144 627360608 /nfs/dbraw/zinc/36/06/08/627360608.db2.gz XXAUSNJLTNWZCM-UHFFFAOYSA-N 2 0 281.444 1.804 10 0 CDAERP CCN(CCC[NH+](CC)CC)C(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000907663639 627772380 /nfs/dbraw/zinc/77/23/80/627772380.db2.gz KKDIIWVPAFLYOT-GDBMZVCRSA-N 2 0 299.459 1.022 10 0 CDAERP C[C@@H](C[NH+](C)C)NC(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000908196415 628065003 /nfs/dbraw/zinc/06/50/03/628065003.db2.gz XHTZPSPCFDYXGN-LBPRGKRZSA-N 2 0 288.395 1.971 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]3C[NH+](C)C[C@@H]32)C1 ZINC000908345398 628146373 /nfs/dbraw/zinc/14/63/73/628146373.db2.gz CMOKWWDBWPQLRK-KKUMJFAQSA-N 2 0 279.428 1.271 10 0 CDAERP CC[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H](C)C1 ZINC000910281160 628955650 /nfs/dbraw/zinc/95/56/50/628955650.db2.gz VLEJLXAFPRUJGW-ZNMIVQPWSA-N 2 0 281.444 1.659 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)CNc1ccccn1 ZINC000912282879 629891282 /nfs/dbraw/zinc/89/12/82/629891282.db2.gz FWCXJEFEMCSXDO-GFCCVEGCSA-N 2 0 276.384 1.483 10 0 CDAERP CCN(C(=O)CNc1ccccn1)[C@H]1CC[N@H+](CC)C1 ZINC000912399696 629985430 /nfs/dbraw/zinc/98/54/30/629985430.db2.gz FDEKNFQJLJIHKT-ZDUSSCGKSA-N 2 0 276.384 1.436 10 0 CDAERP O=C(C1CC[NH+](C2CC2)CC1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912909775 630277018 /nfs/dbraw/zinc/27/70/18/630277018.db2.gz VCQQAUNKRFGPTP-OAHLLOKOSA-N 2 0 277.412 1.167 10 0 CDAERP CN(CCC(=O)N1[C@@H]2CC[C@H]1C[N@@H+](C)C2)c1cc[nH+]cc1 ZINC000913535520 630530002 /nfs/dbraw/zinc/53/00/02/630530002.db2.gz LVMAOJZDNWBDFR-GASCZTMLSA-N 2 0 288.395 1.213 10 0 CDAERP C[NH+](C)CCc1ccc(C(=O)NC23CC[NH+](CC2)C3)cc1 ZINC000913634331 630720635 /nfs/dbraw/zinc/72/06/35/630720635.db2.gz LOJVSNLHJDIWQA-UHFFFAOYSA-N 2 0 287.407 1.369 10 0 CDAERP C[C@H]1[C@H](NC(=O)NCC[NH+]2CCC[C@@H](C)C2)CC[N@@H+]1C ZINC000914076040 631011666 /nfs/dbraw/zinc/01/16/66/631011666.db2.gz OHWAZXYZYVGQMJ-HZSPNIEDSA-N 2 0 282.432 1.110 10 0 CDAERP CC[NH+]1CCC(CNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC000916031981 631897202 /nfs/dbraw/zinc/89/72/02/631897202.db2.gz IFCJNZFHIMFYTL-GXTWGEPZSA-N 2 0 282.432 1.110 10 0 CDAERP CC[N@H+](CCNC(=O)N[C@H]1CC[NH+](C)[C@H]1C)C(C)C ZINC000916165188 631931098 /nfs/dbraw/zinc/93/10/98/631931098.db2.gz PPBQJBYMKVBMNG-STQMWFEESA-N 2 0 270.421 1.109 10 0 CDAERP c1cc(NCC2([NH+]3CCOCC3)CCCCC2)cc[nH+]1 ZINC001772525266 1158612617 /nfs/dbraw/zinc/61/26/17/1158612617.db2.gz DGVMBBCYIGVCLG-UHFFFAOYSA-N 2 0 275.396 1.951 10 0 CDAERP CC[C@H](C(=O)N(C)CC[NH2+]CC[C@@H](C)F)[NH+](C)C ZINC001266741390 1158797207 /nfs/dbraw/zinc/79/72/07/1158797207.db2.gz SCKMCKSDLRFOQF-VXGBXAGGSA-N 2 0 261.385 1.123 10 0 CDAERP CCCC[N@H+](C)CCCN(C)C(=O)Cn1ccnc1 ZINC001700195602 1158934909 /nfs/dbraw/zinc/93/49/09/1158934909.db2.gz TUGMAJINWZTWJJ-UHFFFAOYSA-N 2 0 266.389 1.464 10 0 CDAERP Cc1oncc1C[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001691365415 1159040246 /nfs/dbraw/zinc/04/02/46/1159040246.db2.gz ZUOUXKJQEWBLQD-CQSZACIVSA-N 2 0 294.399 1.015 10 0 CDAERP c1ccc(C[C@@H]2CC[N@@H+](C[C@H]3CC4(C[NH2+]C4)CO3)C2)cc1 ZINC001772526440 1158639438 /nfs/dbraw/zinc/63/94/38/1158639438.db2.gz IIUPGZYBRJPDPU-DLBZAZTESA-N 2 0 286.419 1.930 10 0 CDAERP CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482282730 1160104829 /nfs/dbraw/zinc/10/48/29/1160104829.db2.gz DBRTWOGKIUISQL-YNEHKIRRSA-N 2 0 255.406 1.173 10 0 CDAERP CC(C)=CC[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)C(C)C ZINC001732570396 1160724253 /nfs/dbraw/zinc/72/42/53/1160724253.db2.gz LKPSUHDIJOPENK-OAHLLOKOSA-N 2 0 281.444 1.779 10 0 CDAERP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870955393 1165240407 /nfs/dbraw/zinc/24/04/07/1165240407.db2.gz WOLNGRODXNZAQC-NYTXWWLZSA-N 2 0 279.428 1.350 10 0 CDAERP Cc1csc([C@@H]2CC[N@H+](CCN3CC[NH2+]CC3)C2)n1 ZINC000872147084 1165385565 /nfs/dbraw/zinc/38/55/65/1165385565.db2.gz CXYSTDGDNPAOFV-CYBMUJFWSA-N 2 0 280.441 1.146 10 0 CDAERP C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001640222578 1167006689 /nfs/dbraw/zinc/00/66/89/1167006689.db2.gz NEJTUXSTGLFDIX-XQQFMLRXSA-N 2 0 255.406 1.173 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC23CC[NH+](CC2)C3)C1 ZINC001643505677 1167253544 /nfs/dbraw/zinc/25/35/44/1167253544.db2.gz YSGBGRHXBUNVQD-QWHCGFSZSA-N 2 0 265.401 1.071 10 0 CDAERP C([C@H]1CCC[NH2+]C1)[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC001647272768 1168511613 /nfs/dbraw/zinc/51/16/13/1168511613.db2.gz AEDWVZMQTVOZSP-ZDUSSCGKSA-N 2 0 289.427 1.403 10 0 CDAERP CC(C[NH+]1CCOCC[C@@H]1C)C[N@@H+]1CCOCC[C@@H]1C ZINC001647451009 1168711506 /nfs/dbraw/zinc/71/15/06/1168711506.db2.gz ZWZVRCPZLQMWPG-HOTGVXAUSA-N 2 0 284.444 1.844 10 0 CDAERP CC(C)CC[NH2+]CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001569209978 1169722507 /nfs/dbraw/zinc/72/25/07/1169722507.db2.gz NEKIODFGQYBDRP-UHFFFAOYSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[NH2+]C[C@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001570091890 1170076823 /nfs/dbraw/zinc/07/68/23/1170076823.db2.gz PKDPDWXUXBQNDK-HUUCEWRRSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[NH2+]CC1CC(NC(=O)C[N@H+](C)CCC)C1 ZINC001570578225 1170194599 /nfs/dbraw/zinc/19/45/99/1170194599.db2.gz KISIQHKFIBLNQX-UHFFFAOYSA-N 2 0 255.406 1.223 10 0 CDAERP CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C(C)(C)C1 ZINC001570896454 1170313362 /nfs/dbraw/zinc/31/33/62/1170313362.db2.gz CSNCFDFCKBKRNN-CHWSQXEVSA-N 2 0 269.433 1.563 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCCCCF ZINC001662225327 1172511394 /nfs/dbraw/zinc/51/13/94/1172511394.db2.gz QFKZRWRKRABVJI-MGPQQGTHSA-N 2 0 287.423 1.561 10 0 CDAERP CCOCC[NH2+][C@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001662377583 1172538730 /nfs/dbraw/zinc/53/87/30/1172538730.db2.gz LKOLFCNYSHKELC-CQSZACIVSA-N 2 0 299.459 1.238 10 0 CDAERP O=C(NC/C=C/C[NH2+]CCCF)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001668883686 1173475630 /nfs/dbraw/zinc/47/56/30/1173475630.db2.gz RTPGOMPBSCVLCT-TZARZLCXSA-N 2 0 297.418 1.625 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)NC/C=C/C[NH2+]CCCF)CC1 ZINC001669118136 1173507877 /nfs/dbraw/zinc/50/78/77/1173507877.db2.gz HJROEURBDPGMAX-ONEGZZNKSA-N 2 0 299.434 1.728 10 0 CDAERP CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001689014134 1175084519 /nfs/dbraw/zinc/08/45/19/1175084519.db2.gz HVXRXZQCFMLJSM-MELADBBJSA-N 2 0 267.417 1.223 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]C/C=C\Cl)C1 ZINC001690730891 1175557178 /nfs/dbraw/zinc/55/71/78/1175557178.db2.gz VVNQHVLDSVJUDT-KUTPXYQMSA-N 2 0 299.846 1.661 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1CCCF ZINC001692224208 1175705497 /nfs/dbraw/zinc/70/54/97/1175705497.db2.gz QBKKEEDVKSHJDQ-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001692236844 1175709695 /nfs/dbraw/zinc/70/96/95/1175709695.db2.gz RDXBMDHBCPKZLB-KGLIPLIRSA-N 2 0 267.417 1.461 10 0 CDAERP FC(F)(F)CCC[NH2+]C[C@H]1CN2CCC[C@H]2CO1 ZINC000133775156 1175807541 /nfs/dbraw/zinc/80/75/41/1175807541.db2.gz JFQNVUPGIFTYTK-QWRGUYRKSA-N 2 0 266.307 1.782 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[NH2+]CCCF ZINC001698597818 1175865366 /nfs/dbraw/zinc/86/53/66/1175865366.db2.gz TWUDZAFDMICDLS-KGLIPLIRSA-N 2 0 287.423 1.703 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)CC[NH2+]C/C=C/Cl ZINC001699158599 1176116358 /nfs/dbraw/zinc/11/63/58/1176116358.db2.gz HARWAONRANLKMN-PZBABLGHSA-N 2 0 275.824 1.564 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)CC[NH2+]C/C=C\Cl ZINC001699158598 1176116818 /nfs/dbraw/zinc/11/68/18/1176116818.db2.gz HARWAONRANLKMN-HWPRWLFBSA-N 2 0 275.824 1.564 10 0 CDAERP CCN(CC[NH2+]CC=C(C)C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001699216524 1176144276 /nfs/dbraw/zinc/14/42/76/1176144276.db2.gz JYMLCLJVRYHEDS-CQSZACIVSA-N 2 0 267.417 1.342 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CCF)C1 ZINC001700063266 1176736429 /nfs/dbraw/zinc/73/64/29/1176736429.db2.gz YVTDIBHMFFDTAQ-LSDHHAIUSA-N 2 0 299.434 1.657 10 0 CDAERP CCOCC[N@@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001700180709 1176784222 /nfs/dbraw/zinc/78/42/22/1176784222.db2.gz GZSLXKBZWKBRDZ-HNNXBMFYSA-N 2 0 299.459 1.335 10 0 CDAERP C[C@@H]1[C@H](C(=O)NC2CC(C[NH2+]CCC3CC3)C2)CC[N@@H+]1C ZINC001700373519 1176881091 /nfs/dbraw/zinc/88/10/91/1176881091.db2.gz QKCIOMOIXJUHPC-TWRYWWQQSA-N 2 0 293.455 1.611 10 0 CDAERP CCC[N@H+](C)CC(=O)NC1CC(C[NH2+]C/C=C/Cl)C1 ZINC001700382291 1176886827 /nfs/dbraw/zinc/88/68/27/1176886827.db2.gz YRXBCGVFWJRIPK-SNAWJCMRSA-N 2 0 287.835 1.565 10 0 CDAERP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]C/C=C/Cl ZINC001700415568 1176915630 /nfs/dbraw/zinc/91/56/30/1176915630.db2.gz ABTFAVCBYHOLQI-BZCKNUJPSA-N 2 0 261.797 1.173 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCCOC)CC1(C)C ZINC001700577954 1177023313 /nfs/dbraw/zinc/02/33/13/1177023313.db2.gz GZWCAOAJKMNPBE-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)[N@H+](C)CCOCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001700708033 1177084109 /nfs/dbraw/zinc/08/41/09/1177084109.db2.gz SGLYDBZGOCATNY-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000220654489 1177912249 /nfs/dbraw/zinc/91/22/49/1177912249.db2.gz WCHKXFGKWKRHHD-MGPQQGTHSA-N 2 0 265.401 1.201 10 0 CDAERP CCC[N@H+](C)CCOCCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001707227078 1177974466 /nfs/dbraw/zinc/97/44/66/1177974466.db2.gz PPIISGIVLQXGKY-HUUCEWRRSA-N 2 0 299.459 1.143 10 0 CDAERP CC1CC(C[N@H+](C)CCCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001707377016 1178004614 /nfs/dbraw/zinc/00/46/14/1178004614.db2.gz VFZUMPIOILTGJR-GYTBAZASSA-N 2 0 295.471 1.811 10 0 CDAERP C[N@H+](CCF)CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001707386879 1178010504 /nfs/dbraw/zinc/01/05/04/1178010504.db2.gz TUQDQCIUQSCVAV-UHFFFAOYSA-N 2 0 285.407 1.270 10 0 CDAERP CCCCC[NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001713881449 1178813239 /nfs/dbraw/zinc/81/32/39/1178813239.db2.gz DYEAYEFWHBAHGZ-OAHLLOKOSA-N 2 0 293.455 1.757 10 0 CDAERP CC(C)=CC[N@@H+]1CCC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001714048818 1178946715 /nfs/dbraw/zinc/94/67/15/1178946715.db2.gz QPBPFGSHCNJZMQ-MRXNPFEDSA-N 2 0 293.455 1.877 10 0 CDAERP C[NH+](C)CC1(C(=O)NC2(C[NH2+]CCCF)CCCC2)CC1 ZINC001714140552 1178989548 /nfs/dbraw/zinc/98/95/48/1178989548.db2.gz OBHZBTDPSCBRLN-UHFFFAOYSA-N 2 0 299.434 1.706 10 0 CDAERP CCCCC[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001714483033 1179164028 /nfs/dbraw/zinc/16/40/28/1179164028.db2.gz ADZDKJQCIMJNRH-OAHLLOKOSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]CC2CCC2)CC[N@@H+]1C ZINC001714706698 1179348418 /nfs/dbraw/zinc/34/84/18/1179348418.db2.gz MEPMLNMFKQMSMG-TZMCWYRMSA-N 2 0 267.417 1.175 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CC[NH2+]C[C@@H](C)OC)C1 ZINC001714749843 1179374315 /nfs/dbraw/zinc/37/43/15/1179374315.db2.gz RDTBZPXJBJSVIY-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP CN(CC[NH2+]Cc1ccsc1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001714779349 1179393174 /nfs/dbraw/zinc/39/31/74/1179393174.db2.gz DCVGZULABZSCSV-ZDUSSCGKSA-N 2 0 295.452 1.638 10 0 CDAERP CC(C)=CC[N@@H+]1CC[C@H](CCNC(=O)Cn2ccnc2)C1 ZINC001714884480 1179436821 /nfs/dbraw/zinc/43/68/21/1179436821.db2.gz MZEUJKRONYIPTM-HNNXBMFYSA-N 2 0 290.411 1.678 10 0 CDAERP CCC[NH2+]C[C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001715232358 1179588929 /nfs/dbraw/zinc/58/89/29/1179588929.db2.gz BKRNQAVMPARLRK-LBPRGKRZSA-N 2 0 255.406 1.223 10 0 CDAERP CC[NH2+]C/C=C/CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001715880615 1179894471 /nfs/dbraw/zinc/89/44/71/1179894471.db2.gz YQWUDBWMAQXMNR-PSKZRQQASA-N 2 0 267.417 1.533 10 0 CDAERP CC(C)CCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001715969114 1179949266 /nfs/dbraw/zinc/94/92/66/1179949266.db2.gz GMXVDNPDVDMCAX-UONOGXRCSA-N 2 0 269.433 1.611 10 0 CDAERP CCOCC[NH2+]C[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001715998404 1179974031 /nfs/dbraw/zinc/97/40/31/1179974031.db2.gz KLGFDYGOOPQSKN-GJZGRUSLSA-N 2 0 299.459 1.382 10 0 CDAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CCCF ZINC001715998368 1179974405 /nfs/dbraw/zinc/97/44/05/1179974405.db2.gz JKGNBLBZLLNFMV-UONOGXRCSA-N 2 0 287.423 1.703 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]CCCF)CC1 ZINC001716068453 1180030425 /nfs/dbraw/zinc/03/04/25/1180030425.db2.gz ZYXWOLVAMIPLGU-KGLIPLIRSA-N 2 0 299.434 1.562 10 0 CDAERP CCN(CC[NH2+]CC1CC1)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001716255823 1180122136 /nfs/dbraw/zinc/12/21/36/1180122136.db2.gz FIOZOBDRIAEXHF-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@H](C)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001716277736 1180137859 /nfs/dbraw/zinc/13/78/59/1180137859.db2.gz SYWLFQBXNCJJGZ-BEVHLOIGSA-N 2 0 267.417 1.389 10 0 CDAERP C[C@@H]1C[C@H](C[NH2+]CCCN(C)C(=O)CC[NH+](C)C)CCO1 ZINC001716565199 1180286719 /nfs/dbraw/zinc/28/67/19/1180286719.db2.gz YNWVMGSJSGSXBY-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP CCCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H](C)C1 ZINC001716765064 1180405926 /nfs/dbraw/zinc/40/59/26/1180405926.db2.gz SQYXWJZWNODNKG-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)(C(=O)N1CCC[C@H]1C[NH2+]CCF)[NH+]1CCCCC1 ZINC001716777288 1180410445 /nfs/dbraw/zinc/41/04/45/1180410445.db2.gz FWOHITMRVDXHBX-AWEZNQCLSA-N 2 0 299.434 1.801 10 0 CDAERP CC[C@@H](C(=O)N1CCO[C@@H](C[NH2+]CC=C(C)C)C1)[NH+](C)C ZINC001717183794 1180564430 /nfs/dbraw/zinc/56/44/30/1180564430.db2.gz RANLEROAQYWFIJ-GJZGRUSLSA-N 2 0 297.443 1.110 10 0 CDAERP CC[C@@H](F)C[NH2+]CCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001723022905 1181510341 /nfs/dbraw/zinc/51/03/41/1181510341.db2.gz MCUUWDFJACSPEC-HUUCEWRRSA-N 2 0 299.434 1.514 10 0 CDAERP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C[NH2+]CCF ZINC001724609813 1181703766 /nfs/dbraw/zinc/70/37/66/1181703766.db2.gz SIFYBDDGMSAMCR-CABCVRRESA-N 2 0 299.434 1.516 10 0 CDAERP CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001724709905 1181731496 /nfs/dbraw/zinc/73/14/96/1181731496.db2.gz GOKJCWUXKWJNTG-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)[C@@H](C)[NH2+]CC1CC1 ZINC001725094524 1181856545 /nfs/dbraw/zinc/85/65/45/1181856545.db2.gz PSXDQLDMPNKTOS-VXGBXAGGSA-N 2 0 267.417 1.364 10 0 CDAERP CC(C)OCC[NH2+][C@@H](C)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001725514540 1182032458 /nfs/dbraw/zinc/03/24/58/1182032458.db2.gz KHXPZSWFDXREHL-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP COCC[NH2+]C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001725754069 1182121443 /nfs/dbraw/zinc/12/14/43/1182121443.db2.gz ZAVAFLCQULAOBQ-ZIAGYGMSSA-N 2 0 299.459 1.095 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001731530412 1182437466 /nfs/dbraw/zinc/43/74/66/1182437466.db2.gz IQLKMQUGSSFSTF-HNNXBMFYSA-N 2 0 283.460 1.957 10 0 CDAERP CC/C=C\CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001731838757 1182617552 /nfs/dbraw/zinc/61/75/52/1182617552.db2.gz UKIOIUNDURXEPY-XETQRACLSA-N 2 0 293.455 1.875 10 0 CDAERP CC1CCC(C[NH2+]CCN(C)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001731899803 1182665538 /nfs/dbraw/zinc/66/55/38/1182665538.db2.gz ZGFXPLNJLUCUAC-GPANFISMSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C[NH2+]CCC1CC1 ZINC001732366266 1182928665 /nfs/dbraw/zinc/92/86/65/1182928665.db2.gz NCIUOQGZVKQABI-DZGCQCFKSA-N 2 0 281.444 1.470 10 0 CDAERP COCCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001732497701 1182989529 /nfs/dbraw/zinc/98/95/29/1182989529.db2.gz DHVFERRCRUQGII-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@@H](F)C[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001732854433 1183159334 /nfs/dbraw/zinc/15/93/34/1183159334.db2.gz ZHGQBOQMRNZMMS-ANIPRKEASA-N 2 0 299.434 1.727 10 0 CDAERP CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001733053319 1183265387 /nfs/dbraw/zinc/26/53/87/1183265387.db2.gz JEUPKGUTKPHRRA-KGLIPLIRSA-N 2 0 269.433 1.706 10 0 CDAERP CCC[NH2+]CC1CC(NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001733959680 1183584636 /nfs/dbraw/zinc/58/46/36/1183584636.db2.gz IIUPBZVOLQNMNV-YMAMQOFZSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H](CCC[NH2+]CC1CC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001734236952 1183701380 /nfs/dbraw/zinc/70/13/80/1183701380.db2.gz GKYZSXXHTGXKRM-UMVBOHGHSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]CCF)C(C)(C)C)CC[N@@H+]1C ZINC001734561320 1183826109 /nfs/dbraw/zinc/82/61/09/1183826109.db2.gz OTZRUEMKXHDDRH-UPJWGTAASA-N 2 0 287.423 1.417 10 0 CDAERP CC[C@H](C(=O)NCC1=CC[N@H+](CC)CC1)[NH+](CC)CC ZINC001734632489 1183855335 /nfs/dbraw/zinc/85/53/35/1183855335.db2.gz FWWVFFFHGBCCGU-OAHLLOKOSA-N 2 0 281.444 1.875 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407336382 1186620832 /nfs/dbraw/zinc/62/08/32/1186620832.db2.gz UPYASYFQNWGONG-MGPQQGTHSA-N 2 0 265.401 1.118 10 0 CDAERP CC[C@H](C)C[N@H+](C)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001425090663 957467190 /nfs/dbraw/zinc/46/71/90/957467190.db2.gz WODSCEQLFZIGEP-UONOGXRCSA-N 2 0 271.449 1.809 10 0 CDAERP C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)[C@H]1CC1(C)C ZINC000925853519 753839829 /nfs/dbraw/zinc/83/98/29/753839829.db2.gz ZLFHODAHAIYWKW-YNEHKIRRSA-N 2 0 280.412 1.696 10 0 CDAERP C[C@H]1C[N@H+](CC(=O)NCc2ccccc2)CC[C@@H]1C[NH3+] ZINC000165319086 753843138 /nfs/dbraw/zinc/84/31/38/753843138.db2.gz DBFIKEHUUFLTRB-DZGCQCFKSA-N 2 0 275.396 1.220 10 0 CDAERP C[NH+](C)CCc1ccc(NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)cc1 ZINC000870880694 753847309 /nfs/dbraw/zinc/84/73/09/753847309.db2.gz JWFXGULACZWFCE-KEYYUXOJSA-N 2 0 287.407 1.857 10 0 CDAERP CC(C)C[C@H](CNC(=[NH2+])NC[C@@H]1CCCO1)[NH+]1CCCC1 ZINC000066245070 753892858 /nfs/dbraw/zinc/89/28/58/753892858.db2.gz IMHSYOKVIDXIGG-CABCVRRESA-N 2 0 296.459 1.580 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1(C)CC(F)(F)C1 ZINC000925733545 753912768 /nfs/dbraw/zinc/91/27/68/753912768.db2.gz JLLPWCORKBWSMC-GARJFASQSA-N 2 0 262.344 1.764 10 0 CDAERP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CN3C[C@@H]2CCC3)C[C@@H](C)O1 ZINC000925441270 753937112 /nfs/dbraw/zinc/93/71/12/753937112.db2.gz YYCDLLCISJGHAB-WCXIOVBPSA-N 2 0 295.471 1.560 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CNC2=[NH+]CCCCN2)C1 ZINC000849217724 753937263 /nfs/dbraw/zinc/93/72/63/753937263.db2.gz NHMVVPYQNCALCB-CYBMUJFWSA-N 2 0 252.406 1.293 10 0 CDAERP C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000864055092 753970811 /nfs/dbraw/zinc/97/08/11/753970811.db2.gz IAMAWJQZCDHCFI-MELADBBJSA-N 2 0 273.424 1.903 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C2CCC(C)(O)CC2)C1 ZINC000703017862 754017600 /nfs/dbraw/zinc/01/76/00/754017600.db2.gz MNZVLOOCFDPSOD-NFOMZHRRSA-N 2 0 254.418 2.000 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cc(C)n(C)n2)[C@H](C)C1 ZINC000926916063 754051168 /nfs/dbraw/zinc/05/11/68/754051168.db2.gz UPWFWLMDNZDRCV-IUODEOHRSA-N 2 0 264.417 1.591 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+][C@@H](CCO)Cc2ccccc2)C12CCC2 ZINC000925661993 754070644 /nfs/dbraw/zinc/07/06/44/754070644.db2.gz GJXFSRGRTLAVEB-XHSDSOJGSA-N 2 0 274.408 1.840 10 0 CDAERP Cc1nn(C)c(Cl)c1CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000310870222 754150203 /nfs/dbraw/zinc/15/02/03/754150203.db2.gz TZSRGJYPLWEHIZ-ZMLRMANQSA-N 2 0 268.792 1.551 10 0 CDAERP CN(C(=O)[C@@H]1[NH2+]CCCC1(C)C)C1CC[NH+](C)CC1 ZINC000234320535 754199175 /nfs/dbraw/zinc/19/91/75/754199175.db2.gz HIMBFSGAXDYUNE-ZDUSSCGKSA-N 2 0 267.417 1.317 10 0 CDAERP [NH3+]CCCCCC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000037812711 754213917 /nfs/dbraw/zinc/21/39/17/754213917.db2.gz IKWRFWRSHBOAEZ-ZDUSSCGKSA-N 2 0 253.390 1.202 10 0 CDAERP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)c2ccccn2)CC1 ZINC000853097325 754224507 /nfs/dbraw/zinc/22/45/07/754224507.db2.gz BVMORBKOPYWXQU-MRXNPFEDSA-N 2 0 277.412 1.827 10 0 CDAERP Cc1nn(C)cc1[C@@H](C)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925799891 754249536 /nfs/dbraw/zinc/24/95/36/754249536.db2.gz PALALWPQEDGDHO-NQBHXWOUSA-N 2 0 250.390 1.625 10 0 CDAERP Cc1nc2c(o1)CCC[C@H]2[NH2+]CCCN1CC[NH+](C)CC1 ZINC000924578629 754304774 /nfs/dbraw/zinc/30/47/74/754304774.db2.gz OCPNOXCMFXFABT-CQSZACIVSA-N 2 0 292.427 1.588 10 0 CDAERP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000925834060 754308480 /nfs/dbraw/zinc/30/84/80/754308480.db2.gz VVTYUOLOXFNOER-ITGHMWBKSA-N 2 0 254.374 1.040 10 0 CDAERP CCOC(=O)[C@@]1(F)C[N@H+](CC[C@@H]2CC[NH2+]C2)CC12CCC2 ZINC000852754952 754357783 /nfs/dbraw/zinc/35/77/83/754357783.db2.gz QWIVHUPYUPUPBC-BBRMVZONSA-N 2 0 298.402 1.743 10 0 CDAERP CC(C)([NH3+])c1noc(CN2CC[C@](C[NH3+])(C(C)(C)C)C2)n1 ZINC000866702878 754408257 /nfs/dbraw/zinc/40/82/57/754408257.db2.gz HQOYFFKVMGEHTE-OAHLLOKOSA-N 2 0 295.431 1.460 10 0 CDAERP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000925335771 754446198 /nfs/dbraw/zinc/44/61/98/754446198.db2.gz YHDMZFZIVDXCDM-LSDHHAIUSA-N 2 0 296.459 1.596 10 0 CDAERP C[C@@H]1CN(Cc2nccn2C(F)F)CC[C@@H]1C[NH3+] ZINC000923502750 754467525 /nfs/dbraw/zinc/46/75/25/754467525.db2.gz ZEDKRDXOVKTULK-NXEZZACHSA-N 2 0 258.316 1.695 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000713381293 754471727 /nfs/dbraw/zinc/47/17/27/754471727.db2.gz KVJZTCYAUOWCIK-ZAZJYDDPSA-N 2 0 265.401 1.103 10 0 CDAERP C[C@@H]1CC[N@H+](C[C@@H]2CC[C@@H](C3CC3)O2)C[C@@H]1C[NH3+] ZINC000715507335 754484208 /nfs/dbraw/zinc/48/42/08/754484208.db2.gz GIMHPRLDIKLXMH-UNQGMJICSA-N 2 0 252.402 1.861 10 0 CDAERP COC(=O)c1cccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000923499533 754491210 /nfs/dbraw/zinc/49/12/10/754491210.db2.gz SFBQMKSOVKNOKI-DOMZBBRYSA-N 2 0 276.380 1.890 10 0 CDAERP CCOCCOCC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925875741 754498242 /nfs/dbraw/zinc/49/82/42/754498242.db2.gz VSSGYSZNJLGSPR-CHWSQXEVSA-N 2 0 258.406 1.535 10 0 CDAERP C[C@H](CO[C@@H]1CCOC1)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925542272 754640594 /nfs/dbraw/zinc/64/05/94/754640594.db2.gz YLEMSGHCKQXPMC-NDBYEHHHSA-N 2 0 254.374 1.040 10 0 CDAERP C[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2)C[C@H]1CC[NH3+] ZINC000923432209 754651670 /nfs/dbraw/zinc/65/16/70/754651670.db2.gz XXLMBTCTABPFOD-KYOSRNDESA-N 2 0 266.360 1.776 10 0 CDAERP CC[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccncc1 ZINC000925816371 754671226 /nfs/dbraw/zinc/67/12/26/754671226.db2.gz FSELFKFBFJZBII-OAHLLOKOSA-N 2 0 262.401 1.545 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000715407062 754694670 /nfs/dbraw/zinc/69/46/70/754694670.db2.gz ZCZDJLLNDWRPMV-KBPBESRZSA-N 2 0 256.390 1.112 10 0 CDAERP C[NH+](C)C1CCC([NH2+][C@@H]2CCOC23CCOCC3)CC1 ZINC000926603122 754785458 /nfs/dbraw/zinc/78/54/58/754785458.db2.gz ANWFWCQNFYBLSQ-YMAMQOFZSA-N 2 0 282.428 1.787 10 0 CDAERP C[C@@H]([NH2+][C@H]1CC(=O)N(CC2CC2)C1)C1CC[NH+](C)CC1 ZINC000716771335 754825493 /nfs/dbraw/zinc/82/54/93/754825493.db2.gz CCCSRRNSRKEUJT-DOMZBBRYSA-N 2 0 279.428 1.317 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]C2CC(CC(N)=O)C2)C1 ZINC000925824354 754879435 /nfs/dbraw/zinc/87/94/35/754879435.db2.gz SBMRQMHFDPNMTL-ADPBJBESSA-N 2 0 253.390 1.136 10 0 CDAERP Cn1nnc2c1C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)CC2 ZINC000927149537 754888458 /nfs/dbraw/zinc/88/84/58/754888458.db2.gz HFRNVQTWMICIJV-CYBMUJFWSA-N 2 0 291.443 1.525 10 0 CDAERP COc1c(C)cc(C[NH2+]CCOCC[NH+](C)C)cc1C ZINC000779432229 754931509 /nfs/dbraw/zinc/93/15/09/754931509.db2.gz PMYFXEJMTWYSSY-UHFFFAOYSA-N 2 0 280.412 1.980 10 0 CDAERP C[N@@H+]1CCN(C(=O)c2ccnc(C[NH3+])c2)CCC1(C)C ZINC000712684020 754938267 /nfs/dbraw/zinc/93/82/67/754938267.db2.gz CYNQVAODEKBFFB-UHFFFAOYSA-N 2 0 276.384 1.097 10 0 CDAERP CO[C@@H]1CC[C@@H]2OCCN(CCC[NH2+]C3CC3)[C@H]2C1 ZINC000923373566 754966965 /nfs/dbraw/zinc/96/69/65/754966965.db2.gz PCSQJOMEFLWXTJ-ILXRZTDVSA-N 2 0 268.401 1.397 10 0 CDAERP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000718382422 755018577 /nfs/dbraw/zinc/01/85/77/755018577.db2.gz NBMRMUQGZFZRBW-ARFHVFGLSA-N 2 0 284.444 1.771 10 0 CDAERP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923420278 755061447 /nfs/dbraw/zinc/06/14/47/755061447.db2.gz HKKAQMBIKVLGQF-ZLMOABSSSA-N 3 0 251.418 1.623 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCN(CCc2nnc(C)o2)C1 ZINC000929779891 755077310 /nfs/dbraw/zinc/07/73/10/755077310.db2.gz MMFRBTFKDOZUDJ-CYBMUJFWSA-N 2 0 266.389 1.584 10 0 CDAERP [NH3+]CC12CCC(CC1)N2C(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872310220 755165330 /nfs/dbraw/zinc/16/53/30/755165330.db2.gz RYKFDPISOFQRQX-ICRTXTNUSA-N 2 0 265.401 1.376 10 0 CDAERP C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925881705 755219919 /nfs/dbraw/zinc/21/99/19/755219919.db2.gz DSDFGDONBUBGHR-MCIONIFRSA-N 2 0 296.436 1.566 10 0 CDAERP CC[NH2+]CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309744712 755275751 /nfs/dbraw/zinc/27/57/51/755275751.db2.gz XDXVAKMLXYIKST-HNNXBMFYSA-N 2 0 275.396 1.329 10 0 CDAERP CCN1C[C@@H](CN(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)OC1=O ZINC000846828598 755355858 /nfs/dbraw/zinc/35/58/58/755355858.db2.gz MEYKTTJQLDKFRP-MJBXVCDLSA-N 2 0 283.416 1.489 10 0 CDAERP C[C@H]([NH2+]C[C@H](O)C1CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000838929235 755359741 /nfs/dbraw/zinc/35/97/41/755359741.db2.gz FRDJCZHSDLKWFI-BJJXKVORSA-N 2 0 266.429 2.000 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000895188903 755436203 /nfs/dbraw/zinc/43/62/03/755436203.db2.gz RMFPNDAKDSETAJ-XBXGTLAGSA-N 2 0 297.443 1.783 10 0 CDAERP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)[C@@H]1CCCOC1 ZINC000925782659 755492618 /nfs/dbraw/zinc/49/26/18/755492618.db2.gz MLKYRVCJFXXNMU-QJPTWQEYSA-N 2 0 262.344 1.636 10 0 CDAERP C([C@@H]1CC2(CCC2)CO1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000872142722 755564164 /nfs/dbraw/zinc/56/41/64/755564164.db2.gz BHQBNZJDWOJCGM-ZFWWWQNUSA-N 2 0 250.386 1.631 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCCN3CCSC[C@H]23)C12CCC2 ZINC000720476252 755658078 /nfs/dbraw/zinc/65/80/78/755658078.db2.gz PXWQAGZMPHOVID-SYQHCUMBSA-N 2 0 281.469 1.426 10 0 CDAERP CC(C)CN(C(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1)C1CC1 ZINC000923501925 755730312 /nfs/dbraw/zinc/73/03/12/755730312.db2.gz XBOFTXPNBLRAAA-KGLIPLIRSA-N 2 0 281.444 1.550 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC000854223570 755831723 /nfs/dbraw/zinc/83/17/23/755831723.db2.gz SFAHOBRZQBRFNA-SECBINFHSA-N 2 0 290.351 1.071 10 0 CDAERP C(C[N@@H+]1CCOC[C@@H]1CC1CC1)C1CC[NH2+]CC1 ZINC000923556836 755834390 /nfs/dbraw/zinc/83/43/90/755834390.db2.gz YEKLALGLZVVOGC-HNNXBMFYSA-N 2 0 252.402 1.877 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCC(OC)OC)[C@H](C)C1 ZINC000851847227 755848940 /nfs/dbraw/zinc/84/89/40/755848940.db2.gz RCHCQQISHVFCJY-OLZOCXBDSA-N 2 0 258.406 1.658 10 0 CDAERP CC[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@@H]1CCCOC1 ZINC000872037067 755849223 /nfs/dbraw/zinc/84/92/23/755849223.db2.gz AIKYKWWBRULJFS-KGLIPLIRSA-N 2 0 270.417 1.238 10 0 CDAERP CC[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)[C@H]1CCCOC1 ZINC000872034656 755854841 /nfs/dbraw/zinc/85/48/41/755854841.db2.gz QCWVDFZFLVZNCQ-PMPSAXMXSA-N 2 0 283.460 1.417 10 0 CDAERP C[N@H+](CCO[C@@H]1CCOC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000724927016 755863240 /nfs/dbraw/zinc/86/32/40/755863240.db2.gz VXBKXDUMYJYUCE-QNMSZWNNSA-N 2 0 254.374 1.007 10 0 CDAERP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC000925825476 755915797 /nfs/dbraw/zinc/91/57/97/755915797.db2.gz FAYGLCAWERMPQT-UONOGXRCSA-N 2 0 282.428 1.558 10 0 CDAERP C[NH+](C)CC1CC[NH+](C[C@@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000844277202 755919454 /nfs/dbraw/zinc/91/94/54/755919454.db2.gz KAGXIWDICFVCCP-CQSZACIVSA-N 2 0 281.400 1.243 10 0 CDAERP COCc1nc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cs1 ZINC000723903570 755933674 /nfs/dbraw/zinc/93/36/74/755933674.db2.gz XPYAVBJXAKCLAE-GHMZBOCLSA-N 2 0 269.414 1.706 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H](C)[C@@H](O)c1cccc(F)c1 ZINC000817919498 755939664 /nfs/dbraw/zinc/93/96/64/755939664.db2.gz RXABFUNNCWUEOK-BYCMXARLSA-N 2 0 284.375 1.591 10 0 CDAERP C[C@@H]1C[C@@H]1NC(=[NH2+])NCC1CC[NH+](C2CC2)CC1 ZINC000864464754 755949870 /nfs/dbraw/zinc/94/98/70/755949870.db2.gz HAGHHYAUYFUBSD-MFKMUULPSA-N 2 0 250.390 1.383 10 0 CDAERP C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2Cl)C[C@H]1C[NH3+] ZINC000923410016 755994321 /nfs/dbraw/zinc/99/43/21/755994321.db2.gz DFZVGNBRTVUBTK-JHJVBQTASA-N 2 0 298.814 1.606 10 0 CDAERP c1cnn(CCN2CCC([N@@H+]3CCCOCC3)CC2)c1 ZINC000931285110 756016606 /nfs/dbraw/zinc/01/66/06/756016606.db2.gz FWOVETSRRYTJQK-UHFFFAOYSA-N 2 0 278.400 1.070 10 0 CDAERP CC[C@@H](C[NH+]1CCCC1)NC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870887540 756034460 /nfs/dbraw/zinc/03/44/60/756034460.db2.gz CYTQYYAKRIUJBK-BBBYJDLNSA-N 2 0 279.428 1.509 10 0 CDAERP CC1(C)CN(CCC(=O)Nc2ccccc2F)C[C@@H]1[NH3+] ZINC000720820084 756041614 /nfs/dbraw/zinc/04/16/14/756041614.db2.gz UBALYLQCEPNOPZ-ZDUSSCGKSA-N 2 0 279.359 1.823 10 0 CDAERP C[NH+](C)CC[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)c1cccnc1 ZINC000928827364 756082887 /nfs/dbraw/zinc/08/28/87/756082887.db2.gz AUBPRGOKZCCHEM-GJZGRUSLSA-N 2 0 290.411 1.285 10 0 CDAERP C[C@@H]1C[C@H](C)[N@H+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)C[C@H]1C[NH3+] ZINC000724588876 756116578 /nfs/dbraw/zinc/11/65/78/756116578.db2.gz DIFMSGXNNRWDSH-QLKXBERHSA-N 2 0 268.401 1.096 10 0 CDAERP COC[C@@H](C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1)C(C)C ZINC000931067872 756184051 /nfs/dbraw/zinc/18/40/51/756184051.db2.gz UCDOAIWBQBHNTO-GDBMZVCRSA-N 2 0 284.444 1.436 10 0 CDAERP [NH3+]Cc1ccc(-c2nc([C@H]3C[N@@H+]4CCC[C@H]4CO3)no2)o1 ZINC000250082451 756208876 /nfs/dbraw/zinc/20/88/76/756208876.db2.gz JMGJSQVJVWDUKI-JOYOIKCWSA-N 2 0 290.323 1.324 10 0 CDAERP CCN(CC)C(=O)CCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925597843 756318468 /nfs/dbraw/zinc/31/84/68/756318468.db2.gz OJDGVCSCRYPYNY-QWHCGFSZSA-N 2 0 267.417 1.495 10 0 CDAERP [NH3+][C@H]1C[C@H]([NH2+]CCOc2ncccc2Cl)C12CCC2 ZINC000925585892 756328110 /nfs/dbraw/zinc/32/81/10/756328110.db2.gz AYHOJBRETRINAO-RYUDHWBXSA-N 2 0 281.787 1.973 10 0 CDAERP [NH3+]C[C@@]1(c2ccccc2)C[C@H](N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925882633 756336855 /nfs/dbraw/zinc/33/68/55/756336855.db2.gz SKCDHYRZVYTJAI-ZACQAIPSSA-N 2 0 285.435 1.920 10 0 CDAERP C[C@H]1C[N@H+](CC(=O)Nc2cc(F)cc(F)c2)CC[C@H]1C[NH3+] ZINC000923499108 756357786 /nfs/dbraw/zinc/35/77/86/756357786.db2.gz JWAVIBCCYJTKPP-QWRGUYRKSA-N 2 0 297.349 1.820 10 0 CDAERP CC[C@H]1CCN(C(=[NH2+])NC[C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000864455061 756534086 /nfs/dbraw/zinc/53/40/86/756534086.db2.gz FNDOJTFHENNIEK-KBPBESRZSA-N 2 0 266.433 1.973 10 0 CDAERP CN1CC[N@H+](CCCCCC[NH3+])Cc2cccnc21 ZINC000866727175 756552690 /nfs/dbraw/zinc/55/26/90/756552690.db2.gz GOKBPEWPYUBCFL-UHFFFAOYSA-N 2 0 262.401 1.853 10 0 CDAERP CCCCOC[C@H](O)C[NH+]1CCC(C[NH2+]C)CC1 ZINC000227910359 756602158 /nfs/dbraw/zinc/60/21/58/756602158.db2.gz NOVJAOTXLHPDOU-CQSZACIVSA-N 2 0 258.406 1.095 10 0 CDAERP CC(C)[C@H](C)NC(=O)C[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714488435 756642471 /nfs/dbraw/zinc/64/24/71/756642471.db2.gz YFLXBMNTXSLONT-ZDUSSCGKSA-N 2 0 283.460 1.844 10 0 CDAERP C[NH+](C)C[C@@H]1CN(c2nnc(C3CC3)o2)C[C@H]1C[NH+](C)C ZINC000866012228 756651200 /nfs/dbraw/zinc/65/12/00/756651200.db2.gz UUHWKQMPIMNWKF-CHWSQXEVSA-N 2 0 293.415 1.123 10 0 CDAERP C[C@@H](NC(=O)N(C)Cc1ccc(C[NH+](C)C)cc1)[C@H](C)[NH3+] ZINC000842007249 756677851 /nfs/dbraw/zinc/67/78/51/756677851.db2.gz SAKJHEFSWPMIFC-QWHCGFSZSA-N 2 0 292.427 1.625 10 0 CDAERP c1cn(CCC[N@@H+]2CC[C@H]3CSC[C@@H]3C2)cn1 ZINC000879562995 756709540 /nfs/dbraw/zinc/70/95/40/756709540.db2.gz PKWZUNBRESQADC-STQMWFEESA-N 2 0 251.399 1.958 10 0 CDAERP COC(=O)c1cc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)ccc1C ZINC000872144201 756773108 /nfs/dbraw/zinc/77/31/08/756773108.db2.gz XOAPSAMILVCVAZ-OCCSQVGLSA-N 2 0 276.380 1.951 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000713009071 756776594 /nfs/dbraw/zinc/77/65/94/756776594.db2.gz NGCJCAPJAIEBOW-KGLIPLIRSA-N 2 0 283.460 1.844 10 0 CDAERP COC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)[C@@H]1CCCO1 ZINC000925653784 756801754 /nfs/dbraw/zinc/80/17/54/756801754.db2.gz OAQODPZZPKQRFV-ZDEQEGDKSA-N 2 0 254.374 1.040 10 0 CDAERP C[C@@]1(CN2CC[N@@H+]3CCCC[C@H]3C2)CCC[NH2+]C1 ZINC000250785800 756803469 /nfs/dbraw/zinc/80/34/69/756803469.db2.gz GBHHVFYMGGHMOU-LSDHHAIUSA-N 2 0 251.418 1.546 10 0 CDAERP COC[C@H]([NH2+][C@@H](C)CCCC[NH3+])[C@@H]1CCCOC1 ZINC000925781258 756807168 /nfs/dbraw/zinc/80/71/68/756807168.db2.gz XPQUFHAPJKBVMV-MJBXVCDLSA-N 2 0 258.406 1.535 10 0 CDAERP CC[C@H]1CCN(C(=[NH2+])NCCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000864465403 756814205 /nfs/dbraw/zinc/81/42/05/756814205.db2.gz VWHGRMROKQILQT-CABCVRRESA-N 2 0 296.459 1.744 10 0 CDAERP C[NH+](C)C1(C)CCC([NH2+]Cc2cnc3n2CCOC3)CC1 ZINC000922317183 756828529 /nfs/dbraw/zinc/82/85/29/756828529.db2.gz DRRYNQHPGWQLDF-UHFFFAOYSA-N 2 0 292.427 1.766 10 0 CDAERP C[C@@H](NC[C@@H]1C[NH2+]CCC1(F)F)c1c[nH+]ccc1N ZINC000925779306 756829261 /nfs/dbraw/zinc/82/92/61/756829261.db2.gz WTBUPIBIBOTRIZ-ZJUUUORDSA-N 2 0 270.327 1.390 10 0 CDAERP C[C@H]1C[C@H]([NH2+]CCOC2CCOCC2)CC[N@@H+]1C ZINC000701396708 756839014 /nfs/dbraw/zinc/83/90/14/756839014.db2.gz XKSFRQXUUXUXNU-QWHCGFSZSA-N 2 0 256.390 1.254 10 0 CDAERP Nc1cc[nH+]c(CN[C@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000925766736 756846847 /nfs/dbraw/zinc/84/68/47/756846847.db2.gz LRINBCYEFHFLQU-GJZGRUSLSA-N 2 0 254.337 1.898 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)C2CC2)C1 ZINC000819182121 756848287 /nfs/dbraw/zinc/84/82/87/756848287.db2.gz IWRUEQXJYVAPDA-DZGCQCFKSA-N 2 0 254.418 1.715 10 0 CDAERP COC[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+])C(C)C ZINC000925873218 756853440 /nfs/dbraw/zinc/85/34/40/756853440.db2.gz GQEKLSXAFXEUBM-ZOBORPQBSA-N 2 0 258.406 1.247 10 0 CDAERP c1ccc([C@@H]2CC[C@H](CN3CC[NH2+]CC[NH2+]CC3)O2)cc1 ZINC000923459979 756870128 /nfs/dbraw/zinc/87/01/28/756870128.db2.gz IUHSQMRAGSYNHR-SJORKVTESA-N 2 0 289.423 1.402 10 0 CDAERP C[C@@H](CCc1cccnc1)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000866218895 756890765 /nfs/dbraw/zinc/89/07/65/756890765.db2.gz AUKIJJRWIPQSJW-INIZCTEOSA-N 2 0 290.455 1.630 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@@H]1CCCCC[C@@H]1[NH3+])C2 ZINC000872262953 756897277 /nfs/dbraw/zinc/89/72/77/756897277.db2.gz GOIBEFKJJJTYTL-CLWVCHIJSA-N 2 0 279.428 1.352 10 0 CDAERP CCC[NH+](CCC)CCCNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870880690 756957082 /nfs/dbraw/zinc/95/70/82/756957082.db2.gz JQNXJTQVOKBEHD-YCPHGPKFSA-N 2 0 281.444 1.742 10 0 CDAERP CN(CCC[NH2+][C@H]1CCCSC1)CC[NH+](C)C ZINC000857784231 757021003 /nfs/dbraw/zinc/02/10/03/757021003.db2.gz SLDDPFQOWQVTNC-ZDUSSCGKSA-N 2 0 259.463 1.355 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)CC2([NH3+])CCC2)C1 ZINC000870993788 757021440 /nfs/dbraw/zinc/02/14/40/757021440.db2.gz MLHQRQFAJSPVRT-CQSZACIVSA-N 2 0 267.417 1.481 10 0 CDAERP CN(C)c1nccc(N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)n1 ZINC000720462919 757041702 /nfs/dbraw/zinc/04/17/02/757041702.db2.gz MTHBJIBCJWXMEE-NEPJUHHUSA-N 2 0 293.440 1.534 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](CCOC[C@@H]2CCCO2)C1 ZINC000866707065 757071356 /nfs/dbraw/zinc/07/13/56/757071356.db2.gz SFRLRTJPEOUEJK-HOCLYGCPSA-N 2 0 284.444 1.879 10 0 CDAERP CCOC(=O)C1=CC[C@H]([NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)C1 ZINC000858504329 757111516 /nfs/dbraw/zinc/11/15/16/757111516.db2.gz POBJSXNXIAIRDR-QEJZJMRPSA-N 2 0 280.412 1.958 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000868622152 757251752 /nfs/dbraw/zinc/25/17/52/757251752.db2.gz AZTXTMIEKVMOBF-RRFJBIMHSA-N 2 0 296.459 1.451 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)CC[C@@H]2CCC[NH2+]C2)C1 ZINC000870988248 757279205 /nfs/dbraw/zinc/27/92/05/757279205.db2.gz KGNXYODAASZIRI-YOEHRIQHSA-N 2 0 295.471 1.990 10 0 CDAERP COC[C@@H](C[NH+]1CCC(CO)([NH2+]CC2CC2)CC1)C(C)C ZINC000930672995 757292189 /nfs/dbraw/zinc/29/21/89/757292189.db2.gz FEFPUGNXCBVAHS-MRXNPFEDSA-N 2 0 298.471 1.732 10 0 CDAERP C[N@H+](Cc1ccc2cc[nH]c2c1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923415496 757336767 /nfs/dbraw/zinc/33/67/67/757336767.db2.gz SKDQYBSANCKBIO-QEJZJMRPSA-N 2 0 259.353 1.450 10 0 CDAERP C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705260 757500078 /nfs/dbraw/zinc/50/00/78/757500078.db2.gz WEVORHMFUWEJFY-XHDPSFHLSA-N 2 0 267.417 1.350 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCc1cccc2c1OCCO2 ZINC000925873741 757743769 /nfs/dbraw/zinc/74/37/69/757743769.db2.gz CWRYQJINHCILAJ-CHWSQXEVSA-N 2 0 262.353 1.470 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CC[NH+]3CCC2CC3)C1 ZINC000811386897 757806399 /nfs/dbraw/zinc/80/63/99/757806399.db2.gz SKXWAUSKPVAHDX-INIZCTEOSA-N 2 0 297.418 1.506 10 0 CDAERP CC[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)[C@@H]1CCCOC1 ZINC000872068852 757815200 /nfs/dbraw/zinc/81/52/00/757815200.db2.gz JCSOTJDZDJAXRU-CVEARBPZSA-N 2 0 297.487 1.807 10 0 CDAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](C[C@H]1CCCCO1)CC2 ZINC000923444153 757823623 /nfs/dbraw/zinc/82/36/23/757823623.db2.gz HJHZTTBTNULTBD-KGLIPLIRSA-N 2 0 268.401 1.385 10 0 CDAERP Cc1nc(F)ccc1C[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000785418460 758087873 /nfs/dbraw/zinc/08/78/73/758087873.db2.gz WTXZXAAEEKMGLF-UHFFFAOYSA-N 2 0 294.418 1.646 10 0 CDAERP [NH3+]CCCCCCC(=O)N1CC[NH+]2CCC1CC2 ZINC000722783069 758382094 /nfs/dbraw/zinc/38/20/94/758382094.db2.gz LGHCQZIKHKSVKB-UHFFFAOYSA-N 2 0 253.390 1.202 10 0 CDAERP Cc1cccc(NCC[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)n1 ZINC000925578222 758399801 /nfs/dbraw/zinc/39/98/01/758399801.db2.gz ATJKEBNOSZWZMA-OLZOCXBDSA-N 2 0 260.385 1.661 10 0 CDAERP CC(C)N1CC[C@H]([NH+]2C[C@]3(C)CN(C)C[C@@]3(C)C2)C1=O ZINC000931306934 758449068 /nfs/dbraw/zinc/44/90/68/758449068.db2.gz CZGZEDQIQGZSPO-BPUTZDHNSA-N 2 0 279.428 1.269 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000852872415 758449775 /nfs/dbraw/zinc/44/97/75/758449775.db2.gz GSCDONBGAGMUHR-UHFFFAOYSA-N 2 0 286.379 1.040 10 0 CDAERP CCc1onc(C)c1C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923490989 758549113 /nfs/dbraw/zinc/54/91/13/758549113.db2.gz GPWNDIBIPRMVKK-PWSUYJOCSA-N 2 0 251.374 1.962 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+][C@@H]2CC[C@H](C(N)=O)C2)C1 ZINC000925688578 758573295 /nfs/dbraw/zinc/57/32/95/758573295.db2.gz FALGDPPYGATAQN-YFKTTZPYSA-N 2 0 253.390 1.136 10 0 CDAERP c1cnc(N[C@H]2CCN(CCC[NH2+]C3CC3)C2)nc1 ZINC000923385185 758593535 /nfs/dbraw/zinc/59/35/35/758593535.db2.gz WVPWMTXBTMOCNV-ZDUSSCGKSA-N 2 0 261.373 1.105 10 0 CDAERP CCOC(=O)N1CC[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925643018 758618548 /nfs/dbraw/zinc/61/85/48/758618548.db2.gz VADZCZXWRYXTMV-QJPTWQEYSA-N 2 0 267.373 1.077 10 0 CDAERP C[C@@H](N[C@H]1C[NH2+]CC2(CCOCC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000925792513 758651936 /nfs/dbraw/zinc/65/19/36/758651936.db2.gz AFYMDYJPJNVVJW-KFWWJZLASA-N 2 0 281.444 1.265 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@](C)(O)c1ccccc1 ZINC000817914056 758778000 /nfs/dbraw/zinc/77/80/00/758778000.db2.gz TUQGDCHMZYLEHO-HUUCEWRRSA-N 2 0 266.385 1.238 10 0 CDAERP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000929812286 758807776 /nfs/dbraw/zinc/80/77/76/758807776.db2.gz GKZBNNXWNFWJDR-QRJUGERDSA-N 2 0 280.412 1.349 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)Nc2cccc(F)c2)CC[C@@H]1C[NH3+] ZINC000165316846 758822682 /nfs/dbraw/zinc/82/26/82/758822682.db2.gz VIJHERRNSCYOCN-VXGBXAGGSA-N 2 0 279.359 1.681 10 0 CDAERP CCOC(=O)CCCC[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923450723 758831620 /nfs/dbraw/zinc/83/16/20/758831620.db2.gz IIAQJVRKTDBLAF-CQSZACIVSA-N 2 0 298.427 1.550 10 0 CDAERP C[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)N1C[C@@H](C)O[C@@H](C)C1 ZINC000925701515 758832365 /nfs/dbraw/zinc/83/23/65/758832365.db2.gz APOKMCPMGLNNEE-UXXRCYHCSA-N 2 0 281.444 1.344 10 0 CDAERP COCC[NH2+][C@H](C)[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001570642391 1167580180 /nfs/dbraw/zinc/58/01/80/1167580180.db2.gz TYALUUOUQNQRPK-ZIAGYGMSSA-N 2 0 299.459 1.236 10 0 CDAERP CC(C)=CC[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001567274729 1168049067 /nfs/dbraw/zinc/04/90/67/1168049067.db2.gz HXXSFLAEZRENIX-ZDUSSCGKSA-N 2 0 253.390 1.095 10 0 CDAERP C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@H](C[NH2+]CCCF)C1 ZINC001565961443 1168205157 /nfs/dbraw/zinc/20/51/57/1168205157.db2.gz WAFRVBHQMXJFSD-ILXRZTDVSA-N 2 0 299.434 1.657 10 0 CDAERP CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CC=C(C)C)[NH+](C)C ZINC001567379378 1168720133 /nfs/dbraw/zinc/72/01/33/1168720133.db2.gz UEFYUQSIXRUZTH-CABCVRRESA-N 2 0 281.444 1.873 10 0 CDAERP C[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C[C@H]1CCCOC1 ZINC000699284152 913677930 /nfs/dbraw/zinc/67/79/30/913677930.db2.gz YXHMPMYWNIOKGH-FFHGMXDLSA-N 2 0 252.402 1.875 10 0 CDAERP CC/C=C\CC[N@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001480872866 894799483 /nfs/dbraw/zinc/79/94/83/894799483.db2.gz GEBSUBGVOXJXFC-SREVYHEPSA-N 2 0 281.444 1.875 10 0 CDAERP CC[C@H](C)C[NH2+]CCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001567510923 1168821376 /nfs/dbraw/zinc/82/13/76/1168821376.db2.gz KYVLMUCLDNAFBG-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)CCC[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001567517871 1168828419 /nfs/dbraw/zinc/82/84/19/1168828419.db2.gz PXTWKOBFILRTIK-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CC/C=C\CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)CC ZINC001266904848 896315633 /nfs/dbraw/zinc/31/56/33/896315633.db2.gz QBEPKMVQSYLJGC-DBKWNLEQSA-N 2 0 293.455 1.731 10 0 CDAERP CCC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001267057847 896651626 /nfs/dbraw/zinc/65/16/26/896651626.db2.gz LRTUZAGZYUMGBT-ZIAGYGMSSA-N 2 0 267.417 1.176 10 0 CDAERP CCCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001283534809 897602646 /nfs/dbraw/zinc/60/26/46/897602646.db2.gz ZLGPLSVKELWATP-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](C)C[NH2+]CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001267423294 897882789 /nfs/dbraw/zinc/88/27/89/897882789.db2.gz ZMFJMTPLDFNPDC-ZDUSSCGKSA-N 2 0 269.433 1.422 10 0 CDAERP CC(C)C[NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001267428732 897894773 /nfs/dbraw/zinc/89/47/73/897894773.db2.gz ABCOQGGITUQHGQ-ZDUSSCGKSA-N 2 0 255.406 1.032 10 0 CDAERP CCc1nocc1C[NH2+]CCN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001267456623 897935448 /nfs/dbraw/zinc/93/54/48/897935448.db2.gz DJBKTPADMZYTOW-CQSZACIVSA-N 2 0 296.415 1.125 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NCCN(C/C=C\Cl)C2CC2)C1 ZINC001481194074 899105310 /nfs/dbraw/zinc/10/53/10/899105310.db2.gz BRFMHYDEKLPRLH-IUAZIXFQSA-N 2 0 299.846 1.661 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N[C@](C)(C[NH2+]CCC2CC2)C2CC2)C1 ZINC001267865710 899904778 /nfs/dbraw/zinc/90/47/78/899904778.db2.gz YPOBFMZFOCXCGG-WMLDXEAASA-N 2 0 293.455 1.613 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]CCC(F)(F)F ZINC001268013807 900294247 /nfs/dbraw/zinc/29/42/47/900294247.db2.gz FKUFLSXLPBLTHW-WDEREUQCSA-N 2 0 295.349 1.232 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C)CC[NH2+]CCC(F)(F)F)[NH+](C)C ZINC001268417518 902032564 /nfs/dbraw/zinc/03/25/64/902032564.db2.gz ZTJVZGDLONBZTC-MNOVXSKESA-N 2 0 297.365 1.763 10 0 CDAERP CC[C@H](C(=O)N1CCC(CC[NH2+]CCF)CC1)[NH+](C)C ZINC001482000384 902456808 /nfs/dbraw/zinc/45/68/08/902456808.db2.gz OJMAVGNDFZUKBR-CQSZACIVSA-N 2 0 287.423 1.514 10 0 CDAERP CCCC[NH2+]C[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001482139175 902755948 /nfs/dbraw/zinc/75/59/48/902755948.db2.gz PMNCGGIXNZDHBS-ZDUSSCGKSA-N 2 0 269.433 1.470 10 0 CDAERP CCC/C=C\CC[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001268906048 903230061 /nfs/dbraw/zinc/23/00/61/903230061.db2.gz JMSHIECAKMCINI-OGZRUICASA-N 2 0 293.455 1.733 10 0 CDAERP CN(CCC[NH2+]C/C=C/Cl)C(=O)C[NH+]1CCCC1 ZINC001268950086 903260169 /nfs/dbraw/zinc/26/01/69/903260169.db2.gz KYLAFODXCLNIMU-GQCTYLIASA-N 2 0 273.808 1.273 10 0 CDAERP COCCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001269981533 904247901 /nfs/dbraw/zinc/24/79/01/904247901.db2.gz NKQRLFZDZNYQSO-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)C[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000796723191 904659383 /nfs/dbraw/zinc/65/93/83/904659383.db2.gz KNRKFTNHFPKUTQ-GBJTYRQASA-N 2 0 254.418 1.856 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)N(C)CC2C[NH+](C)C2)CC1 ZINC001363855118 904898426 /nfs/dbraw/zinc/89/84/26/904898426.db2.gz ADUPUSKWLIJANT-UHFFFAOYSA-N 2 0 281.444 1.374 10 0 CDAERP CCCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001482432239 905386605 /nfs/dbraw/zinc/38/66/05/905386605.db2.gz FLOLKLAIKPQUOM-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001482439951 905422516 /nfs/dbraw/zinc/42/25/16/905422516.db2.gz YCXNRCCCZJIBIV-KBPBESRZSA-N 2 0 269.433 1.562 10 0 CDAERP CC(C)(C[NH2+]C[C@@H](O)C[NH+]1CCCC1)C(C)(F)F ZINC000696614304 905434950 /nfs/dbraw/zinc/43/49/50/905434950.db2.gz JFCFFUAFHRQRKP-LLVKDONJSA-N 2 0 264.360 1.714 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CC1 ZINC001567866257 1169028095 /nfs/dbraw/zinc/02/80/95/1169028095.db2.gz IPTWIJNYLIUVPV-KBPBESRZSA-N 2 0 265.401 1.022 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001271091880 905637821 /nfs/dbraw/zinc/63/78/21/905637821.db2.gz GNQIGGYIWNVABR-STQMWFEESA-N 2 0 287.423 1.513 10 0 CDAERP CC(C)C[NH2+]CC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001273001733 921405081 /nfs/dbraw/zinc/40/50/81/921405081.db2.gz MBRJADMJLMTYKX-UONOGXRCSA-N 2 0 271.449 1.713 10 0 CDAERP CC[C@H](C)C[NH2+]CC[C@H](C)NC(=O)Cn1cncc1C ZINC001482853665 908430038 /nfs/dbraw/zinc/43/00/38/908430038.db2.gz QBLMMTKZPNCHLV-STQMWFEESA-N 2 0 280.416 1.722 10 0 CDAERP C[C@H](CC[NH2+]CCC(F)(F)F)NC(=O)C[NH+]1CCCC1 ZINC001482898580 908462667 /nfs/dbraw/zinc/46/26/67/908462667.db2.gz FWHOTTOASDLZSX-LLVKDONJSA-N 2 0 295.349 1.519 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCOC1CCC1 ZINC001567951602 1169090761 /nfs/dbraw/zinc/09/07/61/1169090761.db2.gz ATTDYIBYBIVOMV-HIFRSBDPSA-N 2 0 297.443 1.134 10 0 CDAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCCF ZINC001483127167 909668385 /nfs/dbraw/zinc/66/83/85/909668385.db2.gz KDQPOXJSDZCPPO-OLZOCXBDSA-N 2 0 273.396 1.313 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001483161260 909882587 /nfs/dbraw/zinc/88/25/87/909882587.db2.gz ACONQSCTZNBBKM-CYBMUJFWSA-N 2 0 267.417 1.389 10 0 CDAERP CC[NH+](CC)CCC[N@@H+]1CC[C@]2(CCOC2=O)C1 ZINC001648657532 1169145993 /nfs/dbraw/zinc/14/59/93/1169145993.db2.gz IEIGXLXNEXZQIA-AWEZNQCLSA-N 2 0 254.374 1.357 10 0 CDAERP CC(C)=CC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001483784253 915060133 /nfs/dbraw/zinc/06/01/33/915060133.db2.gz RELKUVNBNABXAA-AWEZNQCLSA-N 2 0 279.428 1.533 10 0 CDAERP CC(C)CCC[NH+]1CC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001483885872 915152746 /nfs/dbraw/zinc/15/27/46/915152746.db2.gz QQGMPRQGDOGKHJ-HNNXBMFYSA-N 2 0 295.471 1.907 10 0 CDAERP C[C@H]1C[C@H]([NH2+]CCF)CCN1C(=O)CCCC[NH+](C)C ZINC001483915846 915188148 /nfs/dbraw/zinc/18/81/48/915188148.db2.gz IOPGKYOBFPHSCF-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@@H](O)CCC[NH+]1CCC(C)(NC(=O)CC[NH+](C)C)CC1 ZINC001483970563 915244679 /nfs/dbraw/zinc/24/46/79/915244679.db2.gz CVUHAEQMKXJIBJ-CQSZACIVSA-N 2 0 299.459 1.070 10 0 CDAERP C[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)[NH2+]CC1CC1 ZINC001484993847 916379246 /nfs/dbraw/zinc/37/92/46/916379246.db2.gz MMDSAXINQDKYDZ-CYZMBNFOSA-N 2 0 276.384 1.408 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C3CCCC3)[C@H](C)C2)C1 ZINC001413563325 936184010 /nfs/dbraw/zinc/18/40/10/936184010.db2.gz SKXZQCYWHMUUOT-HUUCEWRRSA-N 2 0 293.455 1.804 10 0 CDAERP C[C@H](CCC[NH2+]C/C=C/Cl)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001485714709 917208892 /nfs/dbraw/zinc/20/88/92/917208892.db2.gz LJHRKVVYRLZTNL-IURQOMBCSA-N 2 0 287.835 1.708 10 0 CDAERP C[C@H](CCC[NH2+]CCCF)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001485732564 917226057 /nfs/dbraw/zinc/22/60/57/917226057.db2.gz JZHFTYAYUPSFOO-CHWSQXEVSA-N 2 0 273.396 1.315 10 0 CDAERP CCOCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001568273702 1169216094 /nfs/dbraw/zinc/21/60/94/1169216094.db2.gz PAOXUBVMXPYVHI-QLFBSQMISA-N 2 0 299.459 1.190 10 0 CDAERP CCOCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001486134608 920741690 /nfs/dbraw/zinc/74/16/90/920741690.db2.gz LXENWBYFQMQADG-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP C[N@H+](CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CCF)C1)C1CCC1 ZINC001486200831 920805667 /nfs/dbraw/zinc/80/56/67/920805667.db2.gz AJZDURBEDROSKQ-CHWSQXEVSA-N 2 0 285.407 1.315 10 0 CDAERP CC(C)C[NH2+]C1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001486475483 921051647 /nfs/dbraw/zinc/05/16/47/921051647.db2.gz OWTOLQCAZREIQA-UHFFFAOYSA-N 2 0 255.406 1.173 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC001141251312 936835575 /nfs/dbraw/zinc/83/55/75/936835575.db2.gz ZMCWRXYQPZVSJF-LBPRGKRZSA-N 2 0 267.417 1.317 10 0 CDAERP CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001490982146 936837588 /nfs/dbraw/zinc/83/75/88/936837588.db2.gz KWMJPVRYSGQIQE-CABCVRRESA-N 2 0 281.444 1.661 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001491025451 936844053 /nfs/dbraw/zinc/84/40/53/936844053.db2.gz HLUKOQBXLBLVPK-OKILXGFUSA-N 2 0 281.444 1.898 10 0 CDAERP CC(=O)NCC1CCC([NH2+]CCC[NH+]2CCCC2)CC1 ZINC001118986989 924975055 /nfs/dbraw/zinc/97/50/55/924975055.db2.gz PHZDURFCFJJDBR-UHFFFAOYSA-N 2 0 281.444 1.757 10 0 CDAERP O=C(NCCC[NH+]1CCCC1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001119594322 925415829 /nfs/dbraw/zinc/41/58/29/925415829.db2.gz RBEAKQJNLFHLQA-LSDHHAIUSA-N 2 0 279.428 1.605 10 0 CDAERP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]C(C)C ZINC001495005259 926630413 /nfs/dbraw/zinc/63/04/13/926630413.db2.gz JXGGWBFFWGMCTB-QWHCGFSZSA-N 2 0 255.406 1.364 10 0 CDAERP COC[C@@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001488967596 926762658 /nfs/dbraw/zinc/76/26/58/926762658.db2.gz JKDUWEQZOJCRQA-QLFBSQMISA-N 2 0 299.459 1.236 10 0 CDAERP C[NH+](C)CCC(=O)NCCC[N@H+](C)Cc1ccsc1 ZINC001490245221 927054428 /nfs/dbraw/zinc/05/44/28/927054428.db2.gz NLTAKXMTNSPEHL-UHFFFAOYSA-N 2 0 283.441 1.638 10 0 CDAERP CCOCC[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)C(C)C ZINC001275175010 931689816 /nfs/dbraw/zinc/68/98/16/931689816.db2.gz CZXWRPNCDCFFCR-HNNXBMFYSA-N 2 0 299.459 1.286 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]CC=C(Cl)Cl ZINC001275458741 931805262 /nfs/dbraw/zinc/80/52/62/931805262.db2.gz GUCLPSRKWHMHPA-JTQLQIEISA-N 2 0 296.242 1.740 10 0 CDAERP CC[NH2+]C[C@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001275467729 931810930 /nfs/dbraw/zinc/81/09/30/931810930.db2.gz NMSCTXVOQIZBLU-ZDUSSCGKSA-N 2 0 255.406 1.367 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC001411601230 931909281 /nfs/dbraw/zinc/90/92/81/931909281.db2.gz CXPUXNZMEYDGJM-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H]1[C@H](C(=O)N(C)CCC[NH2+]CCCF)CC[N@@H+]1C ZINC001276007208 932228155 /nfs/dbraw/zinc/22/81/55/932228155.db2.gz MGMVJMFVPVOQBC-CHWSQXEVSA-N 2 0 273.396 1.124 10 0 CDAERP C([NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)[C@@H]1CCOC1 ZINC001119630886 937741733 /nfs/dbraw/zinc/74/17/33/937741733.db2.gz KBDZOROBDDKICM-AEGPPILISA-N 2 0 252.402 1.781 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(C(=O)C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000722568883 945124199 /nfs/dbraw/zinc/12/41/99/945124199.db2.gz PUMGFXIKNGCLQF-MCIONIFRSA-N 2 0 267.417 1.175 10 0 CDAERP C[C@@H](CC[NH2+]CCCF)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001568633299 1169408945 /nfs/dbraw/zinc/40/89/45/1169408945.db2.gz CEDZNRCOCMLVHS-YNEHKIRRSA-N 2 0 273.396 1.171 10 0 CDAERP CC(C)[NH2+]CC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001568678289 1169427971 /nfs/dbraw/zinc/42/79/71/1169427971.db2.gz NZQBEYXEEBVTDV-STQMWFEESA-N 2 0 255.406 1.221 10 0 CDAERP [NH3+][C@@H]1C[C@H](NCCC[NH+]2CCCCC2)C12CCC2 ZINC000405354782 940985285 /nfs/dbraw/zinc/98/52/85/940985285.db2.gz QICWZNNMPBZXRV-KGLIPLIRSA-N 2 0 251.418 1.722 10 0 CDAERP Cc1ncsc1CC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405411049 940987287 /nfs/dbraw/zinc/98/72/87/940987287.db2.gz NBABKMIUYQOMGU-RYUDHWBXSA-N 2 0 251.399 1.854 10 0 CDAERP CC[C@H](C[NH2+]CCN(CC)C(=O)C1CC[NH+](C)CC1)OC ZINC001568771940 1169470145 /nfs/dbraw/zinc/47/01/45/1169470145.db2.gz BDZKJIZPCGVLFD-OAHLLOKOSA-N 2 0 299.459 1.191 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCCC2CC[NH+](C)CC2)C1 ZINC001362112052 970900350 /nfs/dbraw/zinc/90/03/50/970900350.db2.gz LMCAZDHMYMJFHH-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001362132714 970924087 /nfs/dbraw/zinc/92/40/87/970924087.db2.gz VRPXOGUUVFVQKG-CLWVCHIJSA-N 2 0 293.455 1.706 10 0 CDAERP CCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001282737613 942746722 /nfs/dbraw/zinc/74/67/22/942746722.db2.gz NDSYDIMLEVISLH-TZMCWYRMSA-N 2 0 269.433 1.563 10 0 CDAERP CN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)[C@H]1CCC[N@H+](C)C1 ZINC001362178099 970982863 /nfs/dbraw/zinc/98/28/63/970982863.db2.gz OZRXQZKTFJBUCO-ZNMIVQPWSA-N 2 0 281.444 1.659 10 0 CDAERP COCC[NH2+]C[C@H]1CCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001277874869 943935417 /nfs/dbraw/zinc/93/54/17/943935417.db2.gz UMZWINHLUGBASU-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)CC[NH+]3CC[C@@H](F)C3)CC[C@H]21 ZINC001362230509 971043590 /nfs/dbraw/zinc/04/35/90/971043590.db2.gz UJUZLDPXMZZKGH-RBSFLKMASA-N 2 0 297.418 1.363 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H]1C[NH2+]CC[C@@H]1CCCO1 ZINC001277932512 944100654 /nfs/dbraw/zinc/10/06/54/944100654.db2.gz HJBIIMCDNZUCRA-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)[N@H+](C)CCOCCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001264667605 944160063 /nfs/dbraw/zinc/16/00/63/944160063.db2.gz HKKLLWVTFLKLLT-HNNXBMFYSA-N 2 0 299.459 1.143 10 0 CDAERP CC[C@H](C(=O)N1CCCCC[C@H]([NH2+]CCCO)C1)[NH+](C)C ZINC001264677425 944162160 /nfs/dbraw/zinc/16/21/60/944162160.db2.gz ARSLWBJOBQOKST-LSDHHAIUSA-N 2 0 299.459 1.070 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)C1CC1 ZINC001265177427 944261871 /nfs/dbraw/zinc/26/18/71/944261871.db2.gz SCTSDIWIEVHLHK-CVEARBPZSA-N 2 0 293.455 1.994 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001265302044 944335148 /nfs/dbraw/zinc/33/51/48/944335148.db2.gz WQBBJNGERZFOTJ-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP CCC[NH2+]C[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001265679772 944467455 /nfs/dbraw/zinc/46/74/55/944467455.db2.gz HYMHKPTWHIIHPV-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+]CC1CCCC1 ZINC001265849569 944539731 /nfs/dbraw/zinc/53/97/31/944539731.db2.gz ZPVDBEVQDUMZDZ-ZDUSSCGKSA-N 2 0 269.433 1.613 10 0 CDAERP C[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)CC1CC(C)(C)C1 ZINC001265971274 944606224 /nfs/dbraw/zinc/60/62/24/944606224.db2.gz HASMGWUPJTZOSZ-HNNXBMFYSA-N 2 0 295.471 1.812 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@@H](C[NH2+]CCC2CC2)C1 ZINC001266012709 944628013 /nfs/dbraw/zinc/62/80/13/944628013.db2.gz JAWLBTIZWKLFMP-AWEZNQCLSA-N 2 0 267.417 1.176 10 0 CDAERP CC(C)[NH2+]C/C=C\CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001568870838 1169528049 /nfs/dbraw/zinc/52/80/49/1169528049.db2.gz GSRPAZCEYLJYLS-ARJAWSKDSA-N 2 0 279.428 1.533 10 0 CDAERP CC(C)C[NH2+]CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001261502651 946148966 /nfs/dbraw/zinc/14/89/66/946148966.db2.gz UIWSZFCWBFOQIZ-QWHCGFSZSA-N 2 0 255.406 1.173 10 0 CDAERP CC1(C)C[C@@H]([NH2+][C@@H]2CCCC[C@H]2C[NH3+])C[C@@H]([NH3+])C1 ZINC001262202186 946517041 /nfs/dbraw/zinc/51/70/41/946517041.db2.gz PBZHAZFIQWPASM-RFQIPJPRSA-N 3 0 253.434 2.000 10 0 CDAERP CC(C)=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001278399257 947559564 /nfs/dbraw/zinc/55/95/64/947559564.db2.gz WBTPKASLAUJCII-GDBMZVCRSA-N 2 0 293.455 1.873 10 0 CDAERP CC(C)C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001479867191 971461517 /nfs/dbraw/zinc/46/15/17/971461517.db2.gz XGFWWHSSXKMLRR-HNNXBMFYSA-N 2 0 281.444 1.707 10 0 CDAERP Cc1c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)ccc2c[nH+]cn21 ZINC001650039429 1169638185 /nfs/dbraw/zinc/63/81/85/1169638185.db2.gz MIGCNYWZMQRHHX-BXUZGUMPSA-N 2 0 272.352 1.465 10 0 CDAERP C[C@@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH2+]CCF ZINC001480489907 971753507 /nfs/dbraw/zinc/75/35/07/971753507.db2.gz CWNBOCQFURVTNX-LBPRGKRZSA-N 2 0 287.423 1.703 10 0 CDAERP CC[NH2+]C[C@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001480663748 971830404 /nfs/dbraw/zinc/83/04/04/971830404.db2.gz MPHRHVNUBRSXRA-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001363038591 971836595 /nfs/dbraw/zinc/83/65/95/971836595.db2.gz OGQYXQXEYFCABM-CABCVRRESA-N 2 0 295.471 1.907 10 0 CDAERP CC[N@@H+]1C[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)C(C)(C)C1 ZINC001363651250 953606340 /nfs/dbraw/zinc/60/63/40/953606340.db2.gz JYGIUAYTYITECG-ZNMIVQPWSA-N 2 0 293.455 1.850 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCN(c2cc[nH+]cc2)C1 ZINC001363726778 953706431 /nfs/dbraw/zinc/70/64/31/953706431.db2.gz MPIWONLWOFGXGC-ZFWWWQNUSA-N 2 0 288.395 1.118 10 0 CDAERP C[NH+](C)CCCC1CC[NH+](C[C@H](O)C(C)(C)O)CC1 ZINC001363213448 971985169 /nfs/dbraw/zinc/98/51/69/971985169.db2.gz VRZKYFMOOCNICH-AWEZNQCLSA-N 2 0 272.433 1.172 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001493232009 971989820 /nfs/dbraw/zinc/98/98/20/971989820.db2.gz ZHISVYQBSWMNGR-KBPBESRZSA-N 2 0 299.434 1.514 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H](C)CC[NH+](C)C)C(C)C ZINC001292978391 954279499 /nfs/dbraw/zinc/27/94/99/954279499.db2.gz RYTKWYTVSQTUQQ-ZDUSSCGKSA-N 2 0 257.422 1.421 10 0 CDAERP CC[N@@H+]1CC[C@H]1C(=O)N(C)CCC[NH+]1CCCC1 ZINC001297026331 954939449 /nfs/dbraw/zinc/93/94/49/954939449.db2.gz PTWVUQYEXAFYPA-ZDUSSCGKSA-N 2 0 253.390 1.025 10 0 CDAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC1CCCC1 ZINC001491578618 955296417 /nfs/dbraw/zinc/29/64/17/955296417.db2.gz FWABYILNQIYODL-ZIAGYGMSSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001491579008 955297238 /nfs/dbraw/zinc/29/72/38/955297238.db2.gz IMXLURLNKHMCAC-CHWSQXEVSA-N 2 0 289.439 1.807 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)CC[NH2+]CCC1CC1)[NH+](C)C ZINC001493586088 972084307 /nfs/dbraw/zinc/08/43/07/972084307.db2.gz DYGUHSJDHHILFR-AWEZNQCLSA-N 2 0 269.433 1.421 10 0 CDAERP CCC[NH2+]C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001491850261 955466651 /nfs/dbraw/zinc/46/66/51/955466651.db2.gz SACRAIOYQZNZIW-AWEZNQCLSA-N 2 0 269.433 1.566 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH2+]Cc1cncs1 ZINC001421676424 955471557 /nfs/dbraw/zinc/47/15/57/955471557.db2.gz NVGAOJYZKPOOPY-AAEUAGOBSA-N 2 0 296.440 1.079 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1nocc1C)[NH+](C)C ZINC001421762440 955532363 /nfs/dbraw/zinc/53/23/63/955532363.db2.gz ZLKBZWYJKCKADL-BXUZGUMPSA-N 2 0 296.415 1.165 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccsc1 ZINC001421765169 955534464 /nfs/dbraw/zinc/53/44/64/955534464.db2.gz FABSVNQZENUFID-JSGCOSHPSA-N 2 0 295.452 1.542 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CCC(C)C)CCO1 ZINC001421805822 955557084 /nfs/dbraw/zinc/55/70/84/955557084.db2.gz ZYWQLHZTHHSJBO-OAHLLOKOSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NCC[C@@H](C)[NH2+]Cc1cccnc1 ZINC001492128989 955639744 /nfs/dbraw/zinc/63/97/44/955639744.db2.gz KTSIFJHYPGEBMK-CQSZACIVSA-N 2 0 292.427 1.406 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001492144373 955652792 /nfs/dbraw/zinc/65/27/92/955652792.db2.gz WMDBXLPMONXBGV-KGLIPLIRSA-N 2 0 267.417 1.461 10 0 CDAERP CC(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001329113142 955695032 /nfs/dbraw/zinc/69/50/32/955695032.db2.gz WCKJEUSIJVEVMG-STQMWFEESA-N 2 0 269.433 1.467 10 0 CDAERP CC[N@H+](C)[C@@H]1CCN(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)C1 ZINC001365444642 956042270 /nfs/dbraw/zinc/04/22/70/956042270.db2.gz JVSPDRSJNRSNLN-LSDHHAIUSA-N 2 0 298.475 1.698 10 0 CDAERP CCC[N@@H+]1CCCC[C@H]1C(=O)NCCC1(C[NH3+])CC1 ZINC001329758193 956100389 /nfs/dbraw/zinc/10/03/89/956100389.db2.gz FAPTXOWKURJDJU-ZDUSSCGKSA-N 2 0 267.417 1.496 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001422660992 956237793 /nfs/dbraw/zinc/23/77/93/956237793.db2.gz NTVNHKFCVJNYEY-NWDGAFQWSA-N 2 0 273.396 1.313 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001494073383 972172271 /nfs/dbraw/zinc/17/22/71/972172271.db2.gz JCFRUGSKJBJUJA-HNNXBMFYSA-N 2 0 293.455 1.566 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)C1C[NH+](C[C@@H](C)CC)C1 ZINC001422756311 956312969 /nfs/dbraw/zinc/31/29/69/956312969.db2.gz QRFGJNSQYOYYCA-KBPBESRZSA-N 2 0 283.460 1.811 10 0 CDAERP CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)[C@@H]21 ZINC001365878298 956420174 /nfs/dbraw/zinc/42/01/74/956420174.db2.gz UKSAELNDHYFSON-BPLDGKMQSA-N 2 0 281.444 1.563 10 0 CDAERP CC[C@@H](C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)C1)OC ZINC001365946580 956465817 /nfs/dbraw/zinc/46/58/17/956465817.db2.gz AZWGKZABGARRDN-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1CC[N@H+](CCOC2CCC2)C1)[NH+](C)C ZINC001365986203 956492249 /nfs/dbraw/zinc/49/22/49/956492249.db2.gz OLKDYLXOMIXYMT-UKRRQHHQSA-N 2 0 297.443 1.086 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001365995448 956495626 /nfs/dbraw/zinc/49/56/26/956495626.db2.gz LKEAYYVCVYRJAF-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001366004153 956504898 /nfs/dbraw/zinc/50/48/98/956504898.db2.gz ORCUSJBLPIMLDC-GJZGRUSLSA-N 2 0 299.434 1.801 10 0 CDAERP C[C@@H]1[C@H](C(=O)NC[C@@H]([NH2+]C/C=C/Cl)C2CC2)CC[N@@H+]1C ZINC001366031021 956523011 /nfs/dbraw/zinc/52/30/11/956523011.db2.gz HCJZIAITJLLYJK-OCCXRSBESA-N 2 0 299.846 1.564 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H]2C[N@H+](CC3CC3)CC[C@@H]21 ZINC001366141686 956598025 /nfs/dbraw/zinc/59/80/25/956598025.db2.gz FBTGEWCBXXSTLW-CVEARBPZSA-N 2 0 293.455 1.661 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@@H]1[NH+](CCCF)CC2 ZINC001423366932 956741383 /nfs/dbraw/zinc/74/13/83/956741383.db2.gz KZAQLSNJACVFNU-HOCLYGCPSA-N 2 0 299.434 1.801 10 0 CDAERP CC[N@H+](C)CCOCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001331157687 956858102 /nfs/dbraw/zinc/85/81/02/956858102.db2.gz FXJGYLXBPIQEAF-UHFFFAOYSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@](C)(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001423588243 956884108 /nfs/dbraw/zinc/88/41/08/956884108.db2.gz PEMOSXVNNAAVDK-NVXWUHKLSA-N 2 0 295.471 1.955 10 0 CDAERP COCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001316882557 957089065 /nfs/dbraw/zinc/08/90/65/957089065.db2.gz ZPWQFIRDOBSEKY-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001424037034 957092858 /nfs/dbraw/zinc/09/28/58/957092858.db2.gz GFYWWNKDGUIGKQ-LSDHHAIUSA-N 2 0 281.444 1.804 10 0 CDAERP CC[C@H](F)C[N@H+](CC)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001316898567 957107188 /nfs/dbraw/zinc/10/71/88/957107188.db2.gz XVKLEEUUOKRUJX-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCC(C)C)C1)[NH+](C)C ZINC001316992077 957188946 /nfs/dbraw/zinc/18/89/46/957188946.db2.gz WRCFEYCKWOOKIZ-KBPBESRZSA-N 2 0 269.433 1.563 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001316990116 957189140 /nfs/dbraw/zinc/18/91/40/957189140.db2.gz DWLAOADYDKIWJV-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CN(CCC[N@H+](C)CCCF)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001424296116 957192913 /nfs/dbraw/zinc/19/29/13/957192913.db2.gz JHRUKGFZJJQZQO-OAHLLOKOSA-N 2 0 299.434 1.468 10 0 CDAERP CCCC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001317026020 957211413 /nfs/dbraw/zinc/21/14/13/957211413.db2.gz KWLONQNJYAWPIZ-ZIAGYGMSSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)=CC[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001317179061 957327224 /nfs/dbraw/zinc/32/72/24/957327224.db2.gz PPZXYWIMNALJHU-OAHLLOKOSA-N 2 0 281.444 1.875 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001317193765 957334857 /nfs/dbraw/zinc/33/48/57/957334857.db2.gz UYDHMRYTNOTWRW-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@@H]1[C@@H]([NH2+]CCCF)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001331927817 957340478 /nfs/dbraw/zinc/34/04/78/957340478.db2.gz GWPBBDREAGAKJQ-OLZOCXBDSA-N 2 0 283.391 1.021 10 0 CDAERP CN(CC[NH2+]Cc1ccc(Cl)cc1)C(=O)CC[NH+](C)C ZINC001317623283 957604964 /nfs/dbraw/zinc/60/49/64/957604964.db2.gz JCTLVVDVTCKICH-UHFFFAOYSA-N 2 0 297.830 1.840 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)CC[NH2+]Cc1cncs1 ZINC001317650771 957623069 /nfs/dbraw/zinc/62/30/69/957623069.db2.gz SVGLVRWZXJCGKI-UHFFFAOYSA-N 2 0 284.429 1.033 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+]Cc1ccns1 ZINC001317663429 957623809 /nfs/dbraw/zinc/62/38/09/957623809.db2.gz DINKQFSUFYGTDZ-UHFFFAOYSA-N 2 0 284.429 1.031 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]C/C=C\Cl)CN1C(=O)C[NH+]1CCCC1 ZINC001425914350 957640179 /nfs/dbraw/zinc/64/01/79/957640179.db2.gz MEOOSNJUJYZXDH-DIABFLQPSA-N 2 0 285.819 1.414 10 0 CDAERP CC(C)OCCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001494739233 972299791 /nfs/dbraw/zinc/29/97/91/972299791.db2.gz LUIDMWPWTOYBSD-HNNXBMFYSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]CCF)CCCC1 ZINC001367327740 957932999 /nfs/dbraw/zinc/93/29/99/957932999.db2.gz BTBDLUSJFFITGN-UHFFFAOYSA-N 2 0 273.396 1.315 10 0 CDAERP CN(CC[N@H+](C)Cc1ccsc1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001367549367 958126300 /nfs/dbraw/zinc/12/63/00/958126300.db2.gz CXKBSGIBLGUPJE-AWEZNQCLSA-N 2 0 295.452 1.590 10 0 CDAERP CCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001318483020 958128091 /nfs/dbraw/zinc/12/80/91/958128091.db2.gz ONSYDEGRELAQSB-CQSZACIVSA-N 2 0 267.417 1.271 10 0 CDAERP C[C@H](F)CC[N@H+]1CC=C(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001333449037 958344755 /nfs/dbraw/zinc/34/47/55/958344755.db2.gz XWUPHDMAJANTCB-AWEZNQCLSA-N 2 0 297.418 1.579 10 0 CDAERP C[C@H](C[N@H+](C)CC1CC(C)C1)NC(=O)C[NH+]1CCCC1 ZINC001367855417 958436415 /nfs/dbraw/zinc/43/64/15/958436415.db2.gz KPFZOOQPQGJBJV-SHARSMKWSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]C(C)C)CC1 ZINC001368005567 958572710 /nfs/dbraw/zinc/57/27/10/958572710.db2.gz MTXQJFPJUGBCPI-CQSZACIVSA-N 2 0 281.444 1.754 10 0 CDAERP COC[C@H](C)[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001368004363 958573575 /nfs/dbraw/zinc/57/35/75/958573575.db2.gz UPZKREGLYBYVTP-KBPBESRZSA-N 2 0 297.443 1.134 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCF)C[C@@H]1C ZINC001368102794 958639635 /nfs/dbraw/zinc/63/96/35/958639635.db2.gz HUMOMNGOZSHVTA-STQMWFEESA-N 2 0 273.396 1.265 10 0 CDAERP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1[NH2+]CCCF ZINC001319694109 958689964 /nfs/dbraw/zinc/68/99/64/958689964.db2.gz FTDAKSVNITYYEA-UKRRQHHQSA-N 2 0 299.434 1.514 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001319709192 958695136 /nfs/dbraw/zinc/69/51/36/958695136.db2.gz BOEARAZVUGJZNY-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H](C)[C@@H]1C[NH2+]CCF ZINC001319865221 958758013 /nfs/dbraw/zinc/75/80/13/958758013.db2.gz RQOHLJAZIACGON-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001319862392 958759483 /nfs/dbraw/zinc/75/94/83/958759483.db2.gz GCBWVBHAUCZVNA-HUUCEWRRSA-N 2 0 293.455 1.709 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001368497753 958902686 /nfs/dbraw/zinc/90/26/86/958902686.db2.gz KVABJTKVCIKQGF-APIJFGDWSA-N 2 0 299.434 1.703 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@H]1C[C@@H]([NH2+]CC2CCC2)C1 ZINC001368534949 958941121 /nfs/dbraw/zinc/94/11/21/958941121.db2.gz GAXOTISRBXNAAL-GASCZTMLSA-N 2 0 279.428 1.367 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001368747143 959099924 /nfs/dbraw/zinc/09/99/24/959099924.db2.gz FDQZJJVIWJYYHV-GJZGRUSLSA-N 2 0 299.459 1.095 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H](C)CC[NH2+]CC1CC1)[NH+](C)C ZINC001320615518 959276057 /nfs/dbraw/zinc/27/60/57/959276057.db2.gz UFLDNHCDULKMDH-TZMCWYRMSA-N 2 0 269.433 1.467 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C1C[NH+](CC2CC2)C1)[NH+](CC)CC ZINC001369093605 959449682 /nfs/dbraw/zinc/44/96/82/959449682.db2.gz NRXMQFBCPYDZCD-CZUORRHYSA-N 2 0 295.471 1.953 10 0 CDAERP CCC(CC)C[NH+]1CC([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001369103460 959457372 /nfs/dbraw/zinc/45/73/72/959457372.db2.gz WSXOKXYYWUXBEV-CQSZACIVSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3CCC3)C[C@H]21)[NH+](C)C ZINC001369136449 959478227 /nfs/dbraw/zinc/47/82/27/959478227.db2.gz USKOHWCULHWEIS-LVQVYYBASA-N 2 0 293.455 1.421 10 0 CDAERP CC(C)C[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C(C)(C)C ZINC001369549939 959752737 /nfs/dbraw/zinc/75/27/37/959752737.db2.gz GRKHPUHJPJGGIP-AWEZNQCLSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@@H](C[NH2+]CC[C@H]1CCCO1)NC(=O)C1([NH+](C)C)CCC1 ZINC001321871101 959994981 /nfs/dbraw/zinc/99/49/81/959994981.db2.gz VMEGRHVQUAHUMG-UONOGXRCSA-N 2 0 297.443 1.134 10 0 CDAERP C[C@@H](C[NH2+]CCCCCF)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001321899175 960009420 /nfs/dbraw/zinc/00/94/20/960009420.db2.gz WWBKNFWOPDCHPC-UONOGXRCSA-N 2 0 287.423 1.705 10 0 CDAERP CC(C)C[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001370197866 960021850 /nfs/dbraw/zinc/02/18/50/960021850.db2.gz GLMPVBJYTWSXTL-LSDHHAIUSA-N 2 0 281.444 1.611 10 0 CDAERP Cc1nc[nH]c1CC(=O)N[C@@H](C)C[NH2+]CC[C@H](C)F ZINC001322060838 960071052 /nfs/dbraw/zinc/07/10/52/960071052.db2.gz XKJRJWXSLBLXOV-UWVGGRQHSA-N 2 0 270.352 1.103 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001370640023 960170835 /nfs/dbraw/zinc/17/08/35/960170835.db2.gz FOZCUJNSYIKOMU-HNKHHVNMSA-N 2 0 293.455 1.611 10 0 CDAERP CC(C)[C@H](C(=O)N(C)CCC[NH2+]C/C=C\Cl)[NH+](C)C ZINC001322683250 960296421 /nfs/dbraw/zinc/29/64/21/960296421.db2.gz PXZUFYGHWKGQQN-FWPCIQOSSA-N 2 0 289.851 1.763 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]CC1CCC1)C1CC1 ZINC001323068725 960430380 /nfs/dbraw/zinc/43/03/80/960430380.db2.gz WPONAKIKEQKLML-AWEZNQCLSA-N 2 0 267.417 1.223 10 0 CDAERP O=C(NCC1([NH2+]CCCF)CC1)[C@@H]1CCn2cncc2C1 ZINC001323479964 960761106 /nfs/dbraw/zinc/76/11/06/960761106.db2.gz ONEFSTTXYVCBHE-GFCCVEGCSA-N 2 0 294.374 1.044 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001418642075 960838142 /nfs/dbraw/zinc/83/81/42/960838142.db2.gz SGCZJLYCPWAJFZ-HUUCEWRRSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001418664409 960874473 /nfs/dbraw/zinc/87/44/73/960874473.db2.gz XQONXMFHEBXLEK-KBXIAJHMSA-N 2 0 299.434 1.561 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC001434022147 960897849 /nfs/dbraw/zinc/89/78/49/960897849.db2.gz KMIUEWUWHDTDSN-JKSUJKDBSA-N 2 0 293.455 1.517 10 0 CDAERP CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001418836040 961080682 /nfs/dbraw/zinc/08/06/82/961080682.db2.gz VTONKFSONCJTCA-ZFWWWQNUSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC2CCC(C)([NH+](C)C)CC2)C1 ZINC001434300549 961149428 /nfs/dbraw/zinc/14/94/28/961149428.db2.gz FLUMDIMJHRIDLM-VQCLRJIVSA-N 2 0 281.444 1.707 10 0 CDAERP CCN1CC[C@@H]1C(=O)N1CC[N@H+](C2CCCC2)[C@H](C)C1 ZINC001434362146 961206584 /nfs/dbraw/zinc/20/65/84/961206584.db2.gz VPQYDJMRUGLGJV-UKRRQHHQSA-N 2 0 279.428 1.556 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CCC23CC[NH+](C)CC3)C1 ZINC001434416366 961334475 /nfs/dbraw/zinc/33/44/75/961334475.db2.gz VMQYJNXNEKWRKB-HUUCEWRRSA-N 2 0 293.455 1.804 10 0 CDAERP CN(C(=O)CC[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CC2CC2)C1 ZINC001419110989 961386873 /nfs/dbraw/zinc/38/68/73/961386873.db2.gz HKBWJWLNKNIPCR-HOTGVXAUSA-N 2 0 293.455 1.804 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001419373545 961640791 /nfs/dbraw/zinc/64/07/91/961640791.db2.gz UKDXLEZYWIGENO-AJNGGQMLSA-N 2 0 299.434 1.846 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1([NH2+]CCF)CCCC1 ZINC001419610878 961868081 /nfs/dbraw/zinc/86/80/81/961868081.db2.gz AXKUNENLWAFIGH-AWEZNQCLSA-N 2 0 299.434 1.849 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC2(C[NH+](CC3CC3)C2)CC1 ZINC001419631387 961893212 /nfs/dbraw/zinc/89/32/12/961893212.db2.gz BUKJAVASSPIGTD-UHFFFAOYSA-N 2 0 293.455 1.661 10 0 CDAERP C[C@@H]([NH2+]CCF)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001419829422 962137197 /nfs/dbraw/zinc/13/71/97/962137197.db2.gz LREDSFLYTDEORK-OLZOCXBDSA-N 2 0 273.396 1.124 10 0 CDAERP C[N@H+](CCF)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001436841041 962452399 /nfs/dbraw/zinc/45/23/99/962452399.db2.gz MBJBUZIBTQLTLJ-LSDHHAIUSA-N 2 0 299.434 1.611 10 0 CDAERP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]C/C=C/Cl ZINC001420086219 962460621 /nfs/dbraw/zinc/46/06/21/962460621.db2.gz ZSNIHPBMBUAJBU-KXFQEILRSA-N 2 0 287.835 1.564 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H]1CCC[NH+](C(C)C)C1 ZINC001437059066 962581786 /nfs/dbraw/zinc/58/17/86/962581786.db2.gz MLQMRYZBIWUVMG-GJZGRUSLSA-N 2 0 283.460 1.952 10 0 CDAERP Cc1ncoc1C[NH2+][C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001437145005 962676933 /nfs/dbraw/zinc/67/69/33/962676933.db2.gz JUKCRNXBQJLLFC-LLVKDONJSA-N 2 0 294.399 1.062 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1cc(C)ns1)[NH+](C)C ZINC001437175396 962699098 /nfs/dbraw/zinc/69/90/98/962699098.db2.gz VQDZYVNWNMJPKN-WCQYABFASA-N 2 0 298.456 1.386 10 0 CDAERP C[C@H](C[NH2+]CC1CCCC1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001420314223 962722742 /nfs/dbraw/zinc/72/27/42/962722742.db2.gz QEELIRXSMYGXBF-UKRRQHHQSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001437942357 963248262 /nfs/dbraw/zinc/24/82/62/963248262.db2.gz KZBWNCGJNWTOMQ-JYJNAYRXSA-N 2 0 295.471 1.953 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@@H](C[N@H+](C)CCC2CC2)C1 ZINC001420950214 963382199 /nfs/dbraw/zinc/38/21/99/963382199.db2.gz WGRIEVZQIVEVMD-HNNXBMFYSA-N 2 0 281.444 1.519 10 0 CDAERP CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]Cc1cccnc1 ZINC001438376207 963436304 /nfs/dbraw/zinc/43/63/04/963436304.db2.gz NDUYTMSMJOZOSN-HNNXBMFYSA-N 2 0 292.427 1.406 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001421316432 963550247 /nfs/dbraw/zinc/55/02/47/963550247.db2.gz ZZPCTQNSWQGGKV-OAHLLOKOSA-N 2 0 295.471 1.907 10 0 CDAERP CCCC[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@@H]21 ZINC001438955458 963611454 /nfs/dbraw/zinc/61/14/54/963611454.db2.gz VXQWZGJRTRAQRF-GJZGRUSLSA-N 2 0 281.444 1.661 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CC1CC1 ZINC001439344209 963732081 /nfs/dbraw/zinc/73/20/81/963732081.db2.gz BPLPSCUKYRBNQL-ZBFHGGJFSA-N 2 0 295.471 1.953 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC ZINC001439819752 963866870 /nfs/dbraw/zinc/86/68/70/963866870.db2.gz GETHSNNSEOTFNQ-QLFBSQMISA-N 2 0 299.434 1.752 10 0 CDAERP CC(C)[C@@H](C(=O)NCC1([NH2+]CCF)CCC1)[NH+]1CCCC1 ZINC001440357641 963999369 /nfs/dbraw/zinc/99/93/69/963999369.db2.gz UFSXMMRDETWDCB-AWEZNQCLSA-N 2 0 299.434 1.705 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001569383098 1169833345 /nfs/dbraw/zinc/83/33/45/1169833345.db2.gz KSEOKHHKCOABOQ-JZIMQPMSSA-N 2 0 279.428 1.629 10 0 CDAERP COC[C@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+](C)C ZINC001440423586 964037614 /nfs/dbraw/zinc/03/76/14/964037614.db2.gz VKALTAMKURDUMG-ILXRZTDVSA-N 2 0 299.459 1.190 10 0 CDAERP CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CC[NH+](C)C ZINC001440717962 964143245 /nfs/dbraw/zinc/14/32/45/964143245.db2.gz AAFCDYMEQJXCJU-GDBMZVCRSA-N 2 0 275.396 1.330 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1ccsc1 ZINC001440849014 964206135 /nfs/dbraw/zinc/20/61/35/964206135.db2.gz ZKXHDLYOHWEQOX-NWDGAFQWSA-N 2 0 283.441 1.683 10 0 CDAERP CC(C)OCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001440938449 964273443 /nfs/dbraw/zinc/27/34/43/964273443.db2.gz VCIZLFYTIHNHHW-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)[C@H](CCN(C)C(=O)C[NH+]1CCCC1)[NH2+]CCF ZINC001441095464 964358856 /nfs/dbraw/zinc/35/88/56/964358856.db2.gz XYUPKLOQBIWOHP-AWEZNQCLSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1C[NH+](CCC2CC2)C1 ZINC001441202143 964417441 /nfs/dbraw/zinc/41/74/41/964417441.db2.gz HKZMBHOWMZSPKQ-DZGCQCFKSA-N 2 0 293.455 1.565 10 0 CDAERP C[N@H+](CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CC2)C1)C1CCC1 ZINC001441485382 964541182 /nfs/dbraw/zinc/54/11/82/964541182.db2.gz FRQFYBFQJPSXNL-OKILXGFUSA-N 2 0 279.428 1.508 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccccn1)[NH+](C)C ZINC001441856205 964752331 /nfs/dbraw/zinc/75/23/31/964752331.db2.gz QGZFGHDBJBSXCD-TZMCWYRMSA-N 2 0 278.400 1.016 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]CC1CCC1)C(C)(C)C ZINC001442193238 964905845 /nfs/dbraw/zinc/90/58/45/964905845.db2.gz YBCSGYZNEQMZEV-CQSZACIVSA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)[NH2+][C@H](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001442257502 964961726 /nfs/dbraw/zinc/96/17/26/964961726.db2.gz NSURAZAKVVNJRA-CQSZACIVSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CCF)C1 ZINC001443219940 965404262 /nfs/dbraw/zinc/40/42/62/965404262.db2.gz NUVQYSNZXTYXDU-GJZGRUSLSA-N 2 0 299.434 1.657 10 0 CDAERP CNc1cc(CNC(=O)NCC2=CC[N@H+](C)CC2)ccn1 ZINC001347187784 965412260 /nfs/dbraw/zinc/41/22/60/965412260.db2.gz RFEHCVWPNHSDEO-UHFFFAOYSA-N 2 0 289.383 1.184 10 0 CDAERP CC(C)[N@@H+]1CCCN(C(=O)[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC001349487899 966364892 /nfs/dbraw/zinc/36/48/92/966364892.db2.gz UMDMOHQLEHBKHT-UONOGXRCSA-N 2 0 267.417 1.447 10 0 CDAERP CC[C@H](F)C[N@H+](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001445860686 966368666 /nfs/dbraw/zinc/36/86/66/966368666.db2.gz YXBVAROQOFYHOM-OLZOCXBDSA-N 2 0 285.407 1.267 10 0 CDAERP C[C@@H](C[N@H+](C)CC1CCC1)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001445859818 966369289 /nfs/dbraw/zinc/36/92/89/966369289.db2.gz YNOHZGSBZBHXIZ-ZFWWWQNUSA-N 2 0 281.444 1.565 10 0 CDAERP CC[N@@H+]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C[C@H]1C ZINC001446192692 966481484 /nfs/dbraw/zinc/48/14/84/966481484.db2.gz IGDQFEZIWLZFSJ-MJBXVCDLSA-N 2 0 267.417 1.269 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@@](C)(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001446524549 966570102 /nfs/dbraw/zinc/57/01/02/966570102.db2.gz HVVMVXPFGULBCJ-CZUORRHYSA-N 2 0 299.434 1.799 10 0 CDAERP CC[C@H](C(=O)N[C@@]1(C)CC[N@H+](CCCO)C1)[NH+](CC)CC ZINC001446560053 966584704 /nfs/dbraw/zinc/58/47/04/966584704.db2.gz LMCGYVAHZXVNQJ-ZBFHGGJFSA-N 2 0 299.459 1.070 10 0 CDAERP CC[N@@H+]1CC[C@](C)(NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001446565324 966584976 /nfs/dbraw/zinc/58/49/76/966584976.db2.gz RTHZUJLFTKVBQW-HOTGVXAUSA-N 2 0 299.434 1.799 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2C/C=C/Cl ZINC001447153420 966709355 /nfs/dbraw/zinc/70/93/55/966709355.db2.gz JJNPJGWBLLPGIT-CCRJBVLDSA-N 2 0 299.846 1.756 10 0 CDAERP CC(C)CC[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001447543012 966814327 /nfs/dbraw/zinc/81/43/27/966814327.db2.gz SJKVYUGNAGOAFK-GJZGRUSLSA-N 2 0 293.455 1.565 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CC(C)(C)C[NH2+]CC1CC1 ZINC001447985172 966949597 /nfs/dbraw/zinc/94/95/97/966949597.db2.gz BRVBMHQSKIMQOD-UHFFFAOYSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@@H](F)CC[NH+]1CC([C@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001448303570 967068379 /nfs/dbraw/zinc/06/83/79/967068379.db2.gz KHFYPJKHCPLDBC-OLZOCXBDSA-N 2 0 299.434 1.655 10 0 CDAERP CC(C)[NH+]1CCN(C(=O)[C@@H](C)CC[NH+](C)C)CC1 ZINC001543059267 967263098 /nfs/dbraw/zinc/26/30/98/967263098.db2.gz XSSVGQDLHBDORO-ZDUSSCGKSA-N 2 0 255.406 1.127 10 0 CDAERP Cc1oncc1C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001448979835 967322006 /nfs/dbraw/zinc/32/20/06/967322006.db2.gz KDNMXGYIJRGHTB-BXUZGUMPSA-N 2 0 294.399 1.014 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)[NH2+]C(C)C)[NH+](CC)CC ZINC001480532840 968124938 /nfs/dbraw/zinc/12/49/38/968124938.db2.gz IQERUSRKWUZCAT-CHWSQXEVSA-N 2 0 257.422 1.610 10 0 CDAERP C[C@H](CCNC(=O)c1ccc(C[NH+]2CCCC2)o1)[NH+](C)C ZINC001453168272 968256865 /nfs/dbraw/zinc/25/68/65/968256865.db2.gz OZYAEXNTPOIFIM-CYBMUJFWSA-N 2 0 293.411 1.945 10 0 CDAERP C[NH+](C)C1(C(=O)N2CC[N@H+](C)C(C)(C)CC2)CCCC1 ZINC001454270063 968455144 /nfs/dbraw/zinc/45/51/44/968455144.db2.gz VNTOKUWMHBFOJN-UHFFFAOYSA-N 2 0 281.444 1.804 10 0 CDAERP C[NH+](C)CCn1cc(NC(=O)C2([NH+](C)C)CCCC2)cn1 ZINC001469524304 970253507 /nfs/dbraw/zinc/25/35/07/970253507.db2.gz QODKQCFGLKHGCR-UHFFFAOYSA-N 2 0 293.415 1.258 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001361764545 970506208 /nfs/dbraw/zinc/50/62/08/970506208.db2.gz JTFRDKDQTWEGRS-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001371635811 972573710 /nfs/dbraw/zinc/57/37/10/972573710.db2.gz LTVGGCWCQNRXIK-BJLPKZDCSA-N 2 0 287.835 1.708 10 0 CDAERP CC[C@H](C[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1)OC ZINC001371699258 972599195 /nfs/dbraw/zinc/59/91/95/972599195.db2.gz YDOLXNOGGPDNIX-LSDHHAIUSA-N 2 0 299.459 1.286 10 0 CDAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]Cc1cccnc1 ZINC001495810126 972647190 /nfs/dbraw/zinc/64/71/90/972647190.db2.gz VPRNWIUXEOTCLY-CQSZACIVSA-N 2 0 290.411 1.019 10 0 CDAERP C[C@@H](C[NH2+]C/C=C/Cl)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001496083099 972787360 /nfs/dbraw/zinc/78/73/60/972787360.db2.gz UVZUIHDNMVHLEB-LZGFCCKTSA-N 2 0 287.835 1.660 10 0 CDAERP C[C@@H](C[NH2+]CC1CCC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001496228867 972848402 /nfs/dbraw/zinc/84/84/02/972848402.db2.gz DGYHTVIOGFYNJM-GXTWGEPZSA-N 2 0 267.417 1.175 10 0 CDAERP C[C@@H](C[NH2+]CC1CCCC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001496230156 972849562 /nfs/dbraw/zinc/84/95/62/972849562.db2.gz RGZLFMSNJXIJLZ-DZGCQCFKSA-N 2 0 281.444 1.565 10 0 CDAERP CC[N@H+](CCCF)CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001372430431 972955090 /nfs/dbraw/zinc/95/50/90/972955090.db2.gz QNZDBPNNTJCIPW-HUUCEWRRSA-N 2 0 299.434 1.801 10 0 CDAERP CC[N@@H+]1CC[C@](C)(NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001569654417 1169955578 /nfs/dbraw/zinc/95/55/78/1169955578.db2.gz HUUSXVOJRVCSLB-INIZCTEOSA-N 2 0 281.444 1.853 10 0 CDAERP C[C@@H](CC[NH2+]CC1CC1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001497189108 973236239 /nfs/dbraw/zinc/23/62/39/973236239.db2.gz QWVHUMUQWMCMJM-WFASDCNBSA-N 2 0 279.428 1.223 10 0 CDAERP CC(C)C[N@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001373292250 973350414 /nfs/dbraw/zinc/35/04/14/973350414.db2.gz KIXXIWJHQKCPIZ-JKSUJKDBSA-N 2 0 295.471 1.765 10 0 CDAERP CC[C@@H](C(=O)NC/C=C/C[NH2+]C[C@H]1CCCOC1)[NH+](C)C ZINC001497677878 973461479 /nfs/dbraw/zinc/46/14/79/973461479.db2.gz BZOOHDBRVKBAQC-MUHKLVGJSA-N 2 0 297.443 1.015 10 0 CDAERP CC[C@@H](F)C[NH2+]C1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001418192651 973637725 /nfs/dbraw/zinc/63/77/25/973637725.db2.gz WMWQNANOIDSZAL-WLYUNCDWSA-N 2 0 299.434 1.847 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CCC(C)(C)C ZINC001418226793 973680808 /nfs/dbraw/zinc/68/08/08/973680808.db2.gz MHEWGVLDGSSSFL-ZFWWWQNUSA-N 2 0 295.471 1.859 10 0 CDAERP C[C@@H](C[NH2+]Cc1cccc(F)c1)NC(=O)CC[NH+](C)C ZINC001498104620 973685169 /nfs/dbraw/zinc/68/51/69/973685169.db2.gz GRCYRHONCIGPHO-LBPRGKRZSA-N 2 0 281.375 1.372 10 0 CDAERP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1ccsc1 ZINC001418271082 973716055 /nfs/dbraw/zinc/71/60/55/973716055.db2.gz OTSHRBULFAXPIK-LBPRGKRZSA-N 2 0 295.452 1.684 10 0 CDAERP CCC/C=C/CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001498190683 973733503 /nfs/dbraw/zinc/73/35/03/973733503.db2.gz RLTVDOMXWWPWRX-MFHOCJEASA-N 2 0 281.444 1.779 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC=C(C)C ZINC001498197545 973736941 /nfs/dbraw/zinc/73/69/41/973736941.db2.gz PFRVDODBMOWGKA-GJZGRUSLSA-N 2 0 281.444 1.921 10 0 CDAERP C[NH+](C)CCC(=O)NCC1([NH2+]CC2CCC2)CCCC1 ZINC001374176831 973806703 /nfs/dbraw/zinc/80/67/03/973806703.db2.gz UECBSCRQVDUHNV-UHFFFAOYSA-N 2 0 281.444 1.757 10 0 CDAERP CCC(CC)C[N@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001418462627 973868906 /nfs/dbraw/zinc/86/89/06/973868906.db2.gz UAVKDCPCSUNZED-INIZCTEOSA-N 2 0 295.471 1.812 10 0 CDAERP CC(C)[NH2+]C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001498780163 974059921 /nfs/dbraw/zinc/05/99/21/974059921.db2.gz YZHQWISIWNTPNW-OAHLLOKOSA-N 2 0 293.455 1.755 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001498873734 974090046 /nfs/dbraw/zinc/09/00/46/974090046.db2.gz JNTVGBAGQPVTLF-LSDHHAIUSA-N 2 0 281.444 1.611 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001374897296 974170844 /nfs/dbraw/zinc/17/08/44/974170844.db2.gz CSPSKZYMXIAUGE-RDBSUJKOSA-N 2 0 271.449 1.713 10 0 CDAERP Cc1cc(C[NH2+]C[C@H](C)NC(=O)C[NH+]2CCCC2)cs1 ZINC001374977927 974198298 /nfs/dbraw/zinc/19/82/98/974198298.db2.gz SRETUVRMDVCSCR-LBPRGKRZSA-N 2 0 295.452 1.747 10 0 CDAERP C[NH+](C)CCC(=O)NCC1([NH2+]CC2CCCCC2)CC1 ZINC001499341496 974240659 /nfs/dbraw/zinc/24/06/59/974240659.db2.gz SUGIDZJAIJOMBE-UHFFFAOYSA-N 2 0 281.444 1.757 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001499351441 974241526 /nfs/dbraw/zinc/24/15/26/974241526.db2.gz AVTRRLKXHHATGE-CHWSQXEVSA-N 2 0 285.407 1.315 10 0 CDAERP CC1CC[NH+](CC(=O)NCC2([NH2+]CCCF)CC2)CC1 ZINC001499399409 974247526 /nfs/dbraw/zinc/24/75/26/974247526.db2.gz XGNRRROCSGWTBU-UHFFFAOYSA-N 2 0 285.407 1.316 10 0 CDAERP C[C@@H](C[N@H+](C)CCC(C)(C)C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001375153597 974278139 /nfs/dbraw/zinc/27/81/39/974278139.db2.gz GIURVOYIYSBRGZ-KBPBESRZSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001375510575 974408131 /nfs/dbraw/zinc/40/81/31/974408131.db2.gz IUYYUBGAWSKSJM-SIDSAAMKSA-N 2 0 287.835 1.564 10 0 CDAERP CCCC[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001500291000 974415978 /nfs/dbraw/zinc/41/59/78/974415978.db2.gz YSNQFNFVYZILGR-OAHLLOKOSA-N 2 0 267.417 1.463 10 0 CDAERP CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001375552110 974420395 /nfs/dbraw/zinc/42/03/95/974420395.db2.gz WZNUTNZZBYNELR-XJKCOSOUSA-N 2 0 299.434 1.703 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001501118652 974536445 /nfs/dbraw/zinc/53/64/45/974536445.db2.gz PHSJVCCOLRMBTK-CABCVRRESA-N 2 0 295.471 1.811 10 0 CDAERP CC(C)[NH2+][C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001376219771 974606667 /nfs/dbraw/zinc/60/66/67/974606667.db2.gz UHFDZYDAXDYHEH-HNNXBMFYSA-N 2 0 293.455 1.755 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(C)no2)C1 ZINC001376496163 974676323 /nfs/dbraw/zinc/67/63/23/974676323.db2.gz XPUBMMMNEBFUKL-BETUJISGSA-N 2 0 294.399 1.062 10 0 CDAERP CC(C)=CC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001502025823 974677860 /nfs/dbraw/zinc/67/78/60/974677860.db2.gz FVRSWGOZDTXLEE-AWEZNQCLSA-N 2 0 279.428 1.533 10 0 CDAERP CCC[NH2+]C1(C)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001502797356 974786292 /nfs/dbraw/zinc/78/62/92/974786292.db2.gz JTHOVIZJZXMZOG-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccccc2F)C1 ZINC001376916518 974817478 /nfs/dbraw/zinc/81/74/78/974817478.db2.gz ZNSTZDKACWTVPE-AWEZNQCLSA-N 2 0 293.386 1.468 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)NCC[NH+](CC1CC1)C1CC1 ZINC001377532233 975067363 /nfs/dbraw/zinc/06/73/63/975067363.db2.gz AVOVUQXOEHUIDJ-HNNXBMFYSA-N 2 0 293.455 1.851 10 0 CDAERP CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001377623768 975090802 /nfs/dbraw/zinc/09/08/02/975090802.db2.gz UYLCPRPSKBFFOL-UKRRQHHQSA-N 2 0 283.460 1.953 10 0 CDAERP CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001506828623 975229673 /nfs/dbraw/zinc/22/96/73/975229673.db2.gz IASAMTKYKCTHAZ-QKDCVEJESA-N 2 0 281.444 1.421 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001378122025 975250383 /nfs/dbraw/zinc/25/03/83/975250383.db2.gz YJKDKVBPYUHEBY-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCCC(C)C)C1 ZINC001378138007 975255939 /nfs/dbraw/zinc/25/59/39/975255939.db2.gz HVNIDHYMEFXQIO-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH+](C)CC1CCCC1 ZINC001378148392 975261346 /nfs/dbraw/zinc/26/13/46/975261346.db2.gz VLDGRSRWLHTDNJ-GJZGRUSLSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]C(C)C)[NH+](CC)CC ZINC001507121433 975345440 /nfs/dbraw/zinc/34/54/40/975345440.db2.gz ZIZDGECQJGAXPL-UONOGXRCSA-N 2 0 271.449 1.952 10 0 CDAERP CC(C)C[NH2+]C[C@@](C)(NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001401023443 975438133 /nfs/dbraw/zinc/43/81/33/975438133.db2.gz KDJUCQWULJUARO-WMLDXEAASA-N 2 0 295.471 1.859 10 0 CDAERP CO[C@@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001378850758 975517045 /nfs/dbraw/zinc/51/70/45/975517045.db2.gz FAYJBDRUKRBSNB-ZQDZILKHSA-N 2 0 299.459 1.092 10 0 CDAERP CC(C)C[NH2+]C[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001378868731 975524006 /nfs/dbraw/zinc/52/40/06/975524006.db2.gz IFVVSXSCWBNILV-KKUMJFAQSA-N 2 0 281.444 1.469 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1C[NH+](CC2CC2)C1 ZINC001404894538 975531405 /nfs/dbraw/zinc/53/14/05/975531405.db2.gz XTQKCSZNUCKTIM-HNNXBMFYSA-N 2 0 279.428 1.319 10 0 CDAERP CC(C)[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001401265385 975553676 /nfs/dbraw/zinc/55/36/76/975553676.db2.gz GNRYLHSEAXLYDI-LSDHHAIUSA-N 2 0 283.460 1.952 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001508016382 975574605 /nfs/dbraw/zinc/57/46/05/975574605.db2.gz SILJZZRRSJVJQR-CHWSQXEVSA-N 2 0 289.439 1.807 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]CC)C1CC1 ZINC001379020521 975599490 /nfs/dbraw/zinc/59/94/90/975599490.db2.gz KZJKSXLYPSMXGV-GJZGRUSLSA-N 2 0 281.444 1.707 10 0 CDAERP C[NH+](C)C1(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCF)C2)CCC1 ZINC001397671501 975674791 /nfs/dbraw/zinc/67/47/91/975674791.db2.gz BWYWIPQOGIYBEZ-QWHCGFSZSA-N 2 0 285.407 1.315 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)[NH2+]CC1CCC1 ZINC001405260357 975692621 /nfs/dbraw/zinc/69/26/21/975692621.db2.gz SLCPKPHNCSWCTL-BFHYXJOUSA-N 2 0 290.411 1.798 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@H]21 ZINC001379169445 975702110 /nfs/dbraw/zinc/70/21/10/975702110.db2.gz RLHIWBPXCPCXEO-JKSUJKDBSA-N 2 0 295.471 1.907 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1cncs1 ZINC001401658326 975767247 /nfs/dbraw/zinc/76/72/47/975767247.db2.gz DNFIGKJXBYYXKY-LLVKDONJSA-N 2 0 284.429 1.079 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1CC12CC[NH+](CC1CC1)CC2)[NH+](C)C ZINC001389518366 975885477 /nfs/dbraw/zinc/88/54/77/975885477.db2.gz BCQVYYVXBHMRTE-HUUCEWRRSA-N 2 0 293.455 1.707 10 0 CDAERP CC(C)[C@H](C(=O)NC[C@@H]([NH2+]CCF)C1CC1)[NH+]1CCCC1 ZINC001389684237 975952174 /nfs/dbraw/zinc/95/21/74/975952174.db2.gz HOVJBYHXRQLSMR-HUUCEWRRSA-N 2 0 299.434 1.561 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]([NH2+]CCC(C)(C)C)C1CC1 ZINC001398432191 975979759 /nfs/dbraw/zinc/97/97/59/975979759.db2.gz GBBIMMOEKZJXRJ-CQSZACIVSA-N 2 0 283.460 1.859 10 0 CDAERP Cc1cccc(C[NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)C2)c1 ZINC001389796735 975992186 /nfs/dbraw/zinc/99/21/86/975992186.db2.gz HMMICIBYCHIEOQ-INIZCTEOSA-N 2 0 289.423 1.637 10 0 CDAERP CC[C@H](C(=O)NC[C@H]1CC[N@@H+]1CC1CC1)[NH+](CC)CC ZINC001401907247 975992555 /nfs/dbraw/zinc/99/25/55/975992555.db2.gz SGVQMNSGAJWINQ-HUUCEWRRSA-N 2 0 281.444 1.707 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H](C)OC)C1 ZINC001390022763 976090576 /nfs/dbraw/zinc/09/05/76/976090576.db2.gz AEDUUMZOPOPKTC-BYNSBNAKSA-N 2 0 297.443 1.133 10 0 CDAERP Cc1oncc1C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001390403368 976278726 /nfs/dbraw/zinc/27/87/26/976278726.db2.gz XBJGIGLLGADFOZ-RISCZKNCSA-N 2 0 294.399 1.062 10 0 CDAERP C[C@H](CCNC(=O)C12CCC[NH+]1CCC2)[NH2+]CC[C@H](C)F ZINC001390680422 976432856 /nfs/dbraw/zinc/43/28/56/976432856.db2.gz ROUPFMVVRQHQPN-UONOGXRCSA-N 2 0 299.434 1.847 10 0 CDAERP CC[C@H](C(=O)N[C@]1(C)CC[N@H+](CCOC(C)C)C1)[NH+](C)C ZINC001407204261 976602469 /nfs/dbraw/zinc/60/24/69/976602469.db2.gz KTJUWVWFQOVJRG-GDBMZVCRSA-N 2 0 299.459 1.332 10 0 CDAERP CC[C@@H](C[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)C(C)C)C1)OC ZINC001407206012 976603733 /nfs/dbraw/zinc/60/37/33/976603733.db2.gz JYPDDDSIVZPDEI-HOCLYGCPSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)[NH+](C)CC(=O)N[C@@]1(C)CC[N@@H+](CC[C@H](C)F)C1 ZINC001407218757 976607239 /nfs/dbraw/zinc/60/72/39/976607239.db2.gz WTJZVBDAHOXUMS-ZFWWWQNUSA-N 2 0 287.423 1.655 10 0 CDAERP COC[C@@H](C)[NH2+][C@@H](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001381202321 976717460 /nfs/dbraw/zinc/71/74/60/976717460.db2.gz ZUZUPYIBCASPMB-UONOGXRCSA-N 2 0 299.459 1.380 10 0 CDAERP C[C@@H](NC(=O)C12CCC[NH+]1CCC2)[C@H](C)[NH2+]C/C=C/Cl ZINC001381391000 976798968 /nfs/dbraw/zinc/79/89/68/976798968.db2.gz CPEMMLXLAWSESL-DGYDABPTSA-N 2 0 299.846 1.850 10 0 CDAERP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)CCC(F)(F)F ZINC001403204643 976810632 /nfs/dbraw/zinc/81/06/32/976810632.db2.gz QGHRNROMNTTXQC-LLVKDONJSA-N 2 0 295.349 1.471 10 0 CDAERP C[C@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)[NH2+]C/C=C/Cl ZINC001381437445 976824226 /nfs/dbraw/zinc/82/42/26/976824226.db2.gz KTTLLBCFOKVLFT-NDYVEPOPSA-N 2 0 285.819 1.318 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ocnc1C ZINC001381449210 976832187 /nfs/dbraw/zinc/83/21/87/976832187.db2.gz YDFGFSVVOGQSMJ-NEPJUHHUSA-N 2 0 296.415 1.308 10 0 CDAERP C[NH+](C)CCC(=O)NCC[C@@H]1CC[N@H+](C/C=C/Cl)C1 ZINC001400181217 976912863 /nfs/dbraw/zinc/91/28/63/976912863.db2.gz XSJFJJSGSPQTCN-LPZVBRGNSA-N 2 0 287.835 1.519 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NCC[C@@H]2CC[NH+](CC3CCC3)C2)C1 ZINC001400181332 976915313 /nfs/dbraw/zinc/91/53/13/976915313.db2.gz DZZBDMANTXVOBX-HZPDHXFCSA-N 2 0 293.455 1.566 10 0 CDAERP C[C@@H](F)CC[NH+]1CC(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001400503228 977064933 /nfs/dbraw/zinc/06/49/33/977064933.db2.gz NVHWZWZBLWKKMV-UKRRQHHQSA-N 2 0 299.434 1.657 10 0 CDAERP C[C@H](c1ccccc1)[NH+]1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001400531350 977080908 /nfs/dbraw/zinc/08/09/08/977080908.db2.gz WNTCBXNBRPUBNK-CQSZACIVSA-N 2 0 289.423 1.747 10 0 CDAERP CCN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCCF)C1 ZINC001400757129 977172825 /nfs/dbraw/zinc/17/28/25/977172825.db2.gz DAIFZXGVOGPYNT-GJZGRUSLSA-N 2 0 299.434 1.611 10 0 CDAERP C[C@@H](C[NH2+]CC1CCC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001392095101 977219334 /nfs/dbraw/zinc/21/93/34/977219334.db2.gz ZQBOWNIKVZESHL-ZFWWWQNUSA-N 2 0 281.444 1.707 10 0 CDAERP Cc1nocc1C[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001382311848 977246198 /nfs/dbraw/zinc/24/61/98/977246198.db2.gz JIPIHPMOLOUUTH-RISCZKNCSA-N 2 0 294.399 1.014 10 0 CDAERP CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]21 ZINC001382326386 977251173 /nfs/dbraw/zinc/25/11/73/977251173.db2.gz GUFNUOYMAMFMBH-BZUAXINKSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@H](F)CC[NH2+]C1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001382587989 977312859 /nfs/dbraw/zinc/31/28/59/977312859.db2.gz AOZQNQMZFFRSIH-HSBZDZAISA-N 2 0 285.407 1.409 10 0 CDAERP CCOCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001569856466 1170019701 /nfs/dbraw/zinc/01/97/01/1170019701.db2.gz SYOMSGIDPXFJTK-LSDHHAIUSA-N 2 0 299.459 1.047 10 0 CDAERP Cc1ccncc1C[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001392615965 977504332 /nfs/dbraw/zinc/50/43/32/977504332.db2.gz DOQAQHITPJLLMF-AWEZNQCLSA-N 2 0 292.427 1.325 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH+](C)CCCF)CC[N@@H+]1C ZINC001392638154 977520501 /nfs/dbraw/zinc/52/05/01/977520501.db2.gz AOPKJZBHYVVSGG-HZSPNIEDSA-N 2 0 287.423 1.513 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N[C@]2(C)CC[NH+](C/C=C\Cl)C2)C1 ZINC001393118669 977712591 /nfs/dbraw/zinc/71/25/91/977712591.db2.gz MYHCHXCXUOMJFN-DFCLBCNGSA-N 2 0 299.846 1.661 10 0 CDAERP C[C@]1(C[NH2+]CC2CC2)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001393167078 977723727 /nfs/dbraw/zinc/72/37/27/977723727.db2.gz NABIBZDHTZMHKY-MRXNPFEDSA-N 2 0 279.428 1.320 10 0 CDAERP CC(C)[C@@H](C(=O)NC1CC(C[NH2+]CC2CC2)C1)[NH+](C)C ZINC001393909008 977958401 /nfs/dbraw/zinc/95/84/01/977958401.db2.gz PSQFZUJXQACTOM-NRXISQOPSA-N 2 0 281.444 1.467 10 0 CDAERP C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)[NH2+]C/C=C/Cl ZINC001393979421 977996003 /nfs/dbraw/zinc/99/60/03/977996003.db2.gz UYGHZIZQANBUDG-BLWPOKMGSA-N 2 0 287.835 1.564 10 0 CDAERP CC(C)[NH+]1CC([C@@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001394231999 978113026 /nfs/dbraw/zinc/11/30/26/978113026.db2.gz VLRQJAFNVRUOML-UKRRQHHQSA-N 2 0 281.444 1.706 10 0 CDAERP CCCC[N@@H+]1C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C(C)(C)C1 ZINC001394312187 978130307 /nfs/dbraw/zinc/13/03/07/978130307.db2.gz TTYZCHYYUPUHTF-KGLIPLIRSA-N 2 0 283.460 1.953 10 0 CDAERP CC1CC(C[N@H+](C)C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001394390150 978150060 /nfs/dbraw/zinc/15/00/60/978150060.db2.gz IFGLFBHLBZCBLM-UHFFFAOYSA-N 2 0 295.471 1.907 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001394499423 978184600 /nfs/dbraw/zinc/18/46/00/978184600.db2.gz IAMLJHKEOQTSQV-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@@H](C)[NH2+]CC1CC1 ZINC001674722677 1173998251 /nfs/dbraw/zinc/99/82/51/1173998251.db2.gz QDZNNWGIFLJQEN-VXGBXAGGSA-N 2 0 267.417 1.221 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC001595810795 1174218270 /nfs/dbraw/zinc/21/82/70/1174218270.db2.gz UMHNTEZRFQPPQD-KBPBESRZSA-N 2 0 269.433 1.422 10 0 CDAERP CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001569986644 1170053745 /nfs/dbraw/zinc/05/37/45/1170053745.db2.gz KDTXHCMERRGCBC-UONOGXRCSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)[C@@H]1CCCCO1 ZINC000623862371 342492588 /nfs/dbraw/zinc/49/25/88/342492588.db2.gz SBQQSPTYTZVBER-HOTGVXAUSA-N 2 0 283.460 1.561 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000300518484 342551273 /nfs/dbraw/zinc/55/12/73/342551273.db2.gz GIJHWAFBCLRCAS-ZIAGYGMSSA-N 2 0 281.444 1.611 10 0 CDAERP COC(=O)CC1(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)CC1 ZINC000601333176 342554911 /nfs/dbraw/zinc/55/49/11/342554911.db2.gz BVOAJQMKDBLXEV-CHWSQXEVSA-N 2 0 266.385 1.404 10 0 CDAERP Cc1cc(C(F)(F)F)cc(NCC[N@@H+]2CC[C@H](O)C2)n1 ZINC000624780066 342015263 /nfs/dbraw/zinc/01/52/63/342015263.db2.gz YBSOYHPTEHIMQY-NSHDSACASA-N 2 0 289.301 1.309 10 0 CDAERP CN(CCOC1CCOCC1)CC[C@@H]1CCCC[N@@H+]1C ZINC000625188996 342039295 /nfs/dbraw/zinc/03/92/95/342039295.db2.gz IXZJNZBRALTCEL-HNNXBMFYSA-N 2 0 284.444 1.988 10 0 CDAERP C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(C[NH3+])cc2)C1 ZINC000237199791 342058692 /nfs/dbraw/zinc/05/86/92/342058692.db2.gz UTHVMIJUBJGNQC-ZDUSSCGKSA-N 2 0 261.369 1.217 10 0 CDAERP C[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000617013318 342604728 /nfs/dbraw/zinc/60/47/28/342604728.db2.gz QXCZYAWTYSQNBG-ZDUSSCGKSA-N 2 0 267.417 1.317 10 0 CDAERP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3[NH2+]CCc4ccccc43)C[C@H]12 ZINC000248591360 343995639 /nfs/dbraw/zinc/99/56/39/343995639.db2.gz HETUNUAEAMBSGU-BVUBDWEXSA-N 2 0 285.391 1.069 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000591455296 342633101 /nfs/dbraw/zinc/63/31/01/342633101.db2.gz QZKXNVVMEPFKKL-LLVKDONJSA-N 2 0 271.324 1.158 10 0 CDAERP C[N@@H+]1CCC[C@H]1CN[C@H]1CC[NH+](C)[C@@H]2CCC[C@H]21 ZINC000624272114 342145016 /nfs/dbraw/zinc/14/50/16/342145016.db2.gz ZDYXUSTXOZYHOG-ZQDZILKHSA-N 2 0 251.418 1.543 10 0 CDAERP CN(CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)CC(F)F ZINC000624328505 342154636 /nfs/dbraw/zinc/15/46/36/342154636.db2.gz UWLYQBWMPHUJTF-XQQFMLRXSA-N 2 0 275.387 1.646 10 0 CDAERP COC(=O)c1ccc(CN2CC[C@]3(C2)CCC[NH2+]C3)[nH]1 ZINC000592432598 342691569 /nfs/dbraw/zinc/69/15/69/342691569.db2.gz CIJMPMMJZDCBTL-OAHLLOKOSA-N 2 0 277.368 1.377 10 0 CDAERP CCC(CC)[C@@H](CNC(=O)C[C@@H](C[NH3+])OC)[NH+]1CCCC1 ZINC000262916842 361885091 /nfs/dbraw/zinc/88/50/91/361885091.db2.gz RJDHHSJTEYTRBH-LSDHHAIUSA-N 2 0 299.459 1.367 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC1CC[NH+](Cc2ccncc2)CC1 ZINC000629390110 361894152 /nfs/dbraw/zinc/89/41/52/361894152.db2.gz JRVNOMSWDSNAKL-DLBZAZTESA-N 2 0 288.439 1.776 10 0 CDAERP C[C@H](Cc1ccc(F)cc1)[NH2+]CC1([NH3+])CCOCC1 ZINC000629387205 361897383 /nfs/dbraw/zinc/89/73/83/361897383.db2.gz FROMXFQINTZZFH-GFCCVEGCSA-N 2 0 266.360 1.854 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](c1ccccc1)N(C)C ZINC000234791291 293095788 /nfs/dbraw/zinc/09/57/88/293095788.db2.gz UJNRQKVKPLDAKS-HOTGVXAUSA-N 2 0 279.428 1.633 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC1CCN(c2ccccn2)CC1 ZINC000629406393 361945338 /nfs/dbraw/zinc/94/53/38/361945338.db2.gz MVLKQRBXSCKAFD-GXTWGEPZSA-N 3 0 260.385 1.390 10 0 CDAERP C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000237059935 290640437 /nfs/dbraw/zinc/64/04/37/290640437.db2.gz UBINSUYUNAEGGV-KKUMJFAQSA-N 2 0 279.428 1.365 10 0 CDAERP Cc1ccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)cn1 ZINC000415060336 539091816 /nfs/dbraw/zinc/09/18/16/539091816.db2.gz WIRSVMTXARUOLE-UHFFFAOYSA-N 2 0 288.439 1.696 10 0 CDAERP COC(=O)c1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)n(C)c1C ZINC000594512474 342912487 /nfs/dbraw/zinc/91/24/87/342912487.db2.gz IRQMILKCYVTUPP-BETUJISGSA-N 2 0 293.411 1.550 10 0 CDAERP COC(=O)CCCC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000600754955 342247585 /nfs/dbraw/zinc/24/75/85/342247585.db2.gz NOWGIXPCRDMSIX-OAHLLOKOSA-N 2 0 298.427 1.420 10 0 CDAERP CC(C)[C@@H](C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)[NH+](C)C ZINC000645108211 362121943 /nfs/dbraw/zinc/12/19/43/362121943.db2.gz GWHQJNAGXRSUNJ-KKUMJFAQSA-N 2 0 281.444 1.563 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@]1(C)COc2ccccc2O1 ZINC000629515951 362124901 /nfs/dbraw/zinc/12/49/01/362124901.db2.gz WUDFNTZSYWRUBF-BBRMVZONSA-N 2 0 294.395 1.560 10 0 CDAERP C[C@@H](Cc1ccccc1F)[NH2+]CC1([NH3+])CCOCC1 ZINC000629521477 362136124 /nfs/dbraw/zinc/13/61/24/362136124.db2.gz RDZBXAZNTQKSEF-LBPRGKRZSA-N 2 0 266.360 1.854 10 0 CDAERP CCOc1ccccc1[C@H](C)[NH2+]CCOCC[NH2+]C ZINC000629528946 362154887 /nfs/dbraw/zinc/15/48/87/362154887.db2.gz NSVPPLGODIAGDI-ZDUSSCGKSA-N 2 0 266.385 1.972 10 0 CDAERP CC(C)[NH2+][C@@H]1CCCN(c2nc(N)[nH+]c3c2CCCC3)C1 ZINC000645146803 362156590 /nfs/dbraw/zinc/15/65/90/362156590.db2.gz UGFGWMBOBNIVEB-GFCCVEGCSA-N 2 0 289.427 1.735 10 0 CDAERP COc1cncc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)n1 ZINC000629529444 362157341 /nfs/dbraw/zinc/15/73/41/362157341.db2.gz CQNRXNCUKXHKJB-NSHDSACASA-N 2 0 250.346 1.046 10 0 CDAERP COc1cncc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)n1 ZINC000629529443 362157559 /nfs/dbraw/zinc/15/75/59/362157559.db2.gz CQNRXNCUKXHKJB-LLVKDONJSA-N 2 0 250.346 1.046 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc(OC)cc1C ZINC000629531742 362163363 /nfs/dbraw/zinc/16/33/63/362163363.db2.gz WKOJCPMPEGOMGE-ZDUSSCGKSA-N 2 0 266.385 1.890 10 0 CDAERP [NH3+]CCCC[NH2+]C[C@H](O)COc1cccc2ccccc21 ZINC000168448447 342445237 /nfs/dbraw/zinc/44/52/37/342445237.db2.gz UOAQVVSCHDZLRN-HNNXBMFYSA-N 2 0 288.391 1.908 10 0 CDAERP [NH3+][C@H](CCC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000250818794 344050925 /nfs/dbraw/zinc/05/09/25/344050925.db2.gz QKNIWPAFDNNBDH-JKSUJKDBSA-N 2 0 287.407 1.773 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000571301470 362350119 /nfs/dbraw/zinc/35/01/19/362350119.db2.gz UITJAJCFMITJPP-HNNXBMFYSA-N 2 0 296.459 1.407 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000606371249 344997942 /nfs/dbraw/zinc/99/79/42/344997942.db2.gz DKOHCDIOWNHZPN-INIZCTEOSA-N 2 0 293.455 1.805 10 0 CDAERP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)[C@H]1CCCCO1 ZINC000623888795 345616788 /nfs/dbraw/zinc/61/67/88/345616788.db2.gz UXUWTLUBWACSLB-JKSUJKDBSA-N 2 0 283.460 1.561 10 0 CDAERP C[N@@H+]1CC[C@H](NCCC[NH+]2CCCC2)CC1(C)C ZINC000623342843 346070900 /nfs/dbraw/zinc/07/09/00/346070900.db2.gz RDXGCSBHTQYLGV-AWEZNQCLSA-N 2 0 253.434 1.935 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CCNC(=O)c2ccco2)CC1(C)C ZINC000623345892 346073201 /nfs/dbraw/zinc/07/32/01/346073201.db2.gz ZJPSZPLFIDZBOG-GFCCVEGCSA-N 2 0 279.384 1.472 10 0 CDAERP C[C@H]1CN(CC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CCO1 ZINC000623403888 346171436 /nfs/dbraw/zinc/17/14/36/346171436.db2.gz KMULWEUDNMVNQF-UONOGXRCSA-N 2 0 269.433 1.170 10 0 CDAERP C[C@@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)N1CC[NH+](C)CC1 ZINC000623404172 346172033 /nfs/dbraw/zinc/17/20/33/346172033.db2.gz SCGAVIYNZHQRPS-LSDHHAIUSA-N 3 0 282.476 1.085 10 0 CDAERP CN(C)C(=O)C[N@@H+]1CCCCC[C@H]1C1CC[NH2+]CC1 ZINC000085403502 179053379 /nfs/dbraw/zinc/05/33/79/179053379.db2.gz BDCVCJVYFHNURV-AWEZNQCLSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)N1CC[C@H](N[C@@H]2CC[N@H+](C)C(C)(C)C2)C1=O ZINC000623419913 346412475 /nfs/dbraw/zinc/41/24/75/346412475.db2.gz BHHAXRNXUIHMPG-OLZOCXBDSA-N 2 0 267.417 1.458 10 0 CDAERP CC(C)c1nc2c(n1C[C@@H]1CCC[N@H+](C)C1)CC[NH2+]C2 ZINC000085572774 179097877 /nfs/dbraw/zinc/09/78/77/179097877.db2.gz WUMSZICNUVCPNS-CYBMUJFWSA-N 2 0 276.428 1.994 10 0 CDAERP CC[C@@H](C)[C@@H]1C[N@H+](CCn2ccnc2C)CCC[NH2+]1 ZINC000085609261 179101723 /nfs/dbraw/zinc/10/17/23/179101723.db2.gz AASMNVDVJZVYOR-HIFRSBDPSA-N 2 0 264.417 1.902 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCOC[C@@H]2CCOC2)CC1(C)C ZINC000623428314 346581767 /nfs/dbraw/zinc/58/17/67/346581767.db2.gz GNVIBEZNVJQEQN-GJZGRUSLSA-N 2 0 284.444 1.892 10 0 CDAERP CCC[NH2+][C@H](CCO)CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000085923002 179201492 /nfs/dbraw/zinc/20/14/92/179201492.db2.gz NGTIUJLXFSLWFY-CVEARBPZSA-N 2 0 283.460 1.297 10 0 CDAERP C[NH+](C)CCCCN1CC[NH2+]C[C@H]1c1ccccc1 ZINC000086177628 179246429 /nfs/dbraw/zinc/24/64/29/179246429.db2.gz OWCVJURFISGHTC-INIZCTEOSA-N 2 0 261.413 1.975 10 0 CDAERP CC(C)[C@@H]1CN(C[C@@H]2C[N@H+](C)CCN2C)[C@@H](C(C)C)C[NH2+]1 ZINC000086175923 179247063 /nfs/dbraw/zinc/24/70/63/179247063.db2.gz PKYGLMWBORKMGU-YESZJQIVSA-N 2 0 296.503 1.187 10 0 CDAERP CC[C@@H]1C[NH2+][C@H](C2CC2)CN1C1CC[NH+](C)CC1 ZINC000086217827 179250061 /nfs/dbraw/zinc/25/00/61/179250061.db2.gz VTYKEBBUOXCLRG-HIFRSBDPSA-N 2 0 251.418 1.543 10 0 CDAERP CC(=O)N1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623575531 347640709 /nfs/dbraw/zinc/64/07/09/347640709.db2.gz FGAFBKXWIQIWGN-CHWSQXEVSA-N 2 0 253.390 1.070 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCN2CC=CCC2)CC1(C)C ZINC000623511168 347611453 /nfs/dbraw/zinc/61/14/53/347611453.db2.gz CLQOEQWMUXWFQR-AWEZNQCLSA-N 2 0 251.418 1.711 10 0 CDAERP CC(C)[C@H](C(=O)N1CCC2(C1)CC[NH+](C)CC2)[NH+](C)C ZINC000614962969 348287485 /nfs/dbraw/zinc/28/74/85/348287485.db2.gz DGKAPBAXVWHPOB-CQSZACIVSA-N 2 0 281.444 1.517 10 0 CDAERP CC[C@@H]1CN(C(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)C[C@H](C)[NH2+]1 ZINC000620904486 350374710 /nfs/dbraw/zinc/37/47/10/350374710.db2.gz OBIKGMWJFPCPIJ-YYFQZIEXSA-N 2 0 281.444 1.847 10 0 CDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccccn2)CC1 ZINC000105915435 186089636 /nfs/dbraw/zinc/08/96/36/186089636.db2.gz NEWHMBNQIRNDLP-AWEZNQCLSA-N 2 0 277.412 1.606 10 0 CDAERP C[C@@H]([NH2+]CCOCCC[NH3+])c1ccc2c(c1)OCCO2 ZINC000629541782 362965478 /nfs/dbraw/zinc/96/54/78/362965478.db2.gz VVEOYNCPWKJQLZ-GFCCVEGCSA-N 2 0 280.368 1.474 10 0 CDAERP Cc1nc(C)c([C@@H](C)[NH2+]CCOCCC[NH3+])s1 ZINC000629542271 362966355 /nfs/dbraw/zinc/96/63/55/362966355.db2.gz XOENTCGYIJHITB-SECBINFHSA-N 2 0 257.403 1.776 10 0 CDAERP C[NH2+]CCOCCN(C)CCC[NH+]1CCCCC1 ZINC000629571967 363026695 /nfs/dbraw/zinc/02/66/95/363026695.db2.gz KWGVWILXJZKOQF-UHFFFAOYSA-N 2 0 257.422 1.030 10 0 CDAERP CC(C)[NH+]1CCN(CCC[NH2+][C@H]2COCC2(C)C)CC1 ZINC000451816102 363133791 /nfs/dbraw/zinc/13/37/91/363133791.db2.gz XYRVZHWNQWHICD-HNNXBMFYSA-N 2 0 283.460 1.417 10 0 CDAERP C[C@@H]([NH3+])C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000157643399 188329616 /nfs/dbraw/zinc/32/96/16/188329616.db2.gz MDHLUPXNPPDDOB-CYBMUJFWSA-N 2 0 291.395 1.837 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1C ZINC000631239100 363304612 /nfs/dbraw/zinc/30/46/12/363304612.db2.gz RLDXITJKUOCBFI-QLFBSQMISA-N 2 0 279.428 1.412 10 0 CDAERP CCOc1ccc(C[NH2+]CCOCCC[NH3+])cc1F ZINC000629679713 363329849 /nfs/dbraw/zinc/32/98/49/363329849.db2.gz NCESLNDSTCAFIO-UHFFFAOYSA-N 2 0 270.348 1.679 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1ccc(Cl)cc1F ZINC000629681927 363330780 /nfs/dbraw/zinc/33/07/80/363330780.db2.gz VNYTWZJXVOEBRX-UHFFFAOYSA-N 2 0 260.740 1.934 10 0 CDAERP CC(C)[NH+]1CCC(N(C)C(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000336312823 363345519 /nfs/dbraw/zinc/34/55/19/363345519.db2.gz WCWZLDUQOLCHAE-WCQYABFASA-N 2 0 271.380 1.018 10 0 CDAERP CCC[NH+]1CCC(C[NH2+]C[C@H](O)COCC(C)C)CC1 ZINC000644533232 366162322 /nfs/dbraw/zinc/16/23/22/366162322.db2.gz IGSLSYUCPHIGOE-INIZCTEOSA-N 2 0 286.460 1.732 10 0 CDAERP Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CCCN(C)C2)c(C)c1 ZINC000644548234 366166034 /nfs/dbraw/zinc/16/60/34/366166034.db2.gz VVLXRUQRPVWCNK-JKSUJKDBSA-N 2 0 292.423 1.727 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCOCC(F)F)[C@@H]2CCC[C@@H]21 ZINC000367539201 283136416 /nfs/dbraw/zinc/13/64/16/283136416.db2.gz XLXMSZFGZQLHKM-SRVKXCTJSA-N 2 0 262.344 1.731 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCN2CCOCC2)[C@H]2CCC[C@@H]21 ZINC000367612098 283135484 /nfs/dbraw/zinc/13/54/84/283135484.db2.gz CSTRIKPTHCZASH-PMPSAXMXSA-N 2 0 281.444 1.171 10 0 CDAERP CC(C)[N@@H+]1CCCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000336277098 356125611 /nfs/dbraw/zinc/12/56/11/356125611.db2.gz XYRLEYYJXWIKJM-KBPBESRZSA-N 2 0 267.417 1.447 10 0 CDAERP C[C@@H]1C[NH2+]CCN1C1CCC(C)([NH+]2CCOCC2)CC1 ZINC000725262928 538455239 /nfs/dbraw/zinc/45/52/39/538455239.db2.gz SZNCTARCHPLPNU-QQFBHYJXSA-N 2 0 281.444 1.314 10 0 CDAERP CC[NH2+]CCCCCNc1ccnn1C1C[NH2+]C1 ZINC000725260513 538454136 /nfs/dbraw/zinc/45/41/36/538454136.db2.gz VOLZEDANDGJTPW-UHFFFAOYSA-N 2 0 251.378 1.219 10 0 CDAERP C[C@H]([NH2+]C[C@@H](O)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000132197096 538772043 /nfs/dbraw/zinc/77/20/43/538772043.db2.gz FZRQYAMJFGLJBA-YOEHRIQHSA-N 2 0 276.424 1.910 10 0 CDAERP CC[NH+]1CCC(C[NH2+]C[C@@H](O)C[C@@](C)(O)C2CC2)CC1 ZINC000634700530 357370708 /nfs/dbraw/zinc/37/07/08/357370708.db2.gz BBOQJQQKTXIFTR-JKSUJKDBSA-N 2 0 284.444 1.220 10 0 CDAERP C[C@H]1C[C@H](N(C)C(=O)NCC2([NH3+])CCCCC2)CC[N@@H+]1C ZINC000335609483 291125173 /nfs/dbraw/zinc/12/51/73/291125173.db2.gz XDYXKTKKBPGYME-UONOGXRCSA-N 2 0 296.459 1.772 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000347060998 283338323 /nfs/dbraw/zinc/33/83/23/283338323.db2.gz YHUYCCSRJDTNFD-GJZGRUSLSA-N 2 0 281.444 1.804 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[NH+](C)C[C@H]2C)CC[N@@H+]1C ZINC000632253929 358198407 /nfs/dbraw/zinc/19/84/07/358198407.db2.gz GFGZLZRANGQXRN-YIYPIFLZSA-N 2 0 267.417 1.268 10 0 CDAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H]3CN(C)C[C@H]32)CC1 ZINC000644730043 366442026 /nfs/dbraw/zinc/44/20/26/366442026.db2.gz UCBUPZNYMRUINB-DLBZAZTESA-N 2 0 294.487 1.038 10 0 CDAERP CC[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)CC)CC1 ZINC000113655938 366444793 /nfs/dbraw/zinc/44/47/93/366444793.db2.gz QFGGTXXJVGSEHI-UHFFFAOYSA-N 2 0 269.433 1.613 10 0 CDAERP O=C(C[C@H]1CCC[NH2+]C1)N1CC[NH+](C2CCCC2)CC1 ZINC000054292934 358710938 /nfs/dbraw/zinc/71/09/38/358710938.db2.gz DEOHZPGPLPVXKI-CQSZACIVSA-N 2 0 279.428 1.463 10 0 CDAERP O=C(C[C@H]1CCC[NH2+]C1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062973193 358814281 /nfs/dbraw/zinc/81/42/81/358814281.db2.gz OZIWLODSXFQYMF-ZIAGYGMSSA-N 2 0 265.401 1.073 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H](NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000401891074 412679438 /nfs/dbraw/zinc/67/94/38/412679438.db2.gz XMZNXAHHVUPAQZ-NUEKZKHPSA-N 2 0 261.413 1.877 10 0 CDAERP CSCC[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000119720302 359070890 /nfs/dbraw/zinc/07/08/90/359070890.db2.gz KDFIJYGVCPXCJS-UHFFFAOYSA-N 2 0 259.463 1.307 10 0 CDAERP Fc1cccc(F)c1N1CC[C@@H](N[C@@H]2CC[NH2+]C2)C1 ZINC000335251173 359112522 /nfs/dbraw/zinc/11/25/22/359112522.db2.gz MXRBDLSWBHTNDV-GHMZBOCLSA-N 2 0 267.323 1.495 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000347061003 359140461 /nfs/dbraw/zinc/14/04/61/359140461.db2.gz YHUYCCSRJDTNFD-HUUCEWRRSA-N 2 0 281.444 1.804 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262436156 359169306 /nfs/dbraw/zinc/16/93/06/359169306.db2.gz SHASEZSQXJEEFY-SOUVJXGZSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000262535703 359176814 /nfs/dbraw/zinc/17/68/14/359176814.db2.gz JRNHFVNGLWHIQF-QEJZJMRPSA-N 2 0 281.444 1.550 10 0 CDAERP CC(C)[C@@H](O)C[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001660702081 1172259367 /nfs/dbraw/zinc/25/93/67/1172259367.db2.gz YWFCAEXXHLITDW-HRCADAONSA-N 2 0 266.429 1.811 10 0 CDAERP CC(C)[NH+](CCCN[C@H](C1CC1)[C@H]1C[NH2+]CCO1)C(C)C ZINC000423000904 359710034 /nfs/dbraw/zinc/71/00/34/359710034.db2.gz CWTPZNLQHXVDGF-IAGOWNOFSA-N 2 0 297.487 1.852 10 0 CDAERP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)NCC1([NH3+])CCCCCC1 ZINC000418288606 370666479 /nfs/dbraw/zinc/66/64/79/370666479.db2.gz WOBRAPXXISGGEE-KGLIPLIRSA-N 2 0 296.459 1.855 10 0 CDAERP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H]2CCOC2)C1 ZINC000348373124 360033251 /nfs/dbraw/zinc/03/32/51/360033251.db2.gz VXRSDRUDWDMRFY-KGLIPLIRSA-N 2 0 256.390 1.208 10 0 CDAERP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000335426783 283525753 /nfs/dbraw/zinc/52/57/53/283525753.db2.gz ANNHEIJQEKRDSQ-CVEARBPZSA-N 2 0 299.418 1.461 10 0 CDAERP C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1[NH3+] ZINC000335379304 360128844 /nfs/dbraw/zinc/12/88/44/360128844.db2.gz IPJJVEFONVCXRT-RISCZKNCSA-N 2 0 261.369 1.167 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000335458155 360208940 /nfs/dbraw/zinc/20/89/40/360208940.db2.gz SKBDTDQFGJRESC-HNNXBMFYSA-N 2 0 293.455 1.853 10 0 CDAERP O=C(C[C@@H]1CSCC[NH2+]1)Nc1ccc2c(c1)C[NH2+]C2 ZINC000335497612 360269255 /nfs/dbraw/zinc/26/92/55/360269255.db2.gz YQLARNJDHBHNIA-CYBMUJFWSA-N 2 0 277.393 1.323 10 0 CDAERP CCOCCC[N@@H+]1CC[C@@H](NC[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC000154554574 360366046 /nfs/dbraw/zinc/36/60/46/360366046.db2.gz UIEDJTSIIBGESY-IXDOHACOSA-N 2 0 297.487 1.807 10 0 CDAERP C[NH2+]C[C@@H]1CCCN1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000417930991 283555128 /nfs/dbraw/zinc/55/51/28/283555128.db2.gz KSXFPEDNJGERIZ-NRXISQOPSA-N 2 0 296.459 1.500 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000335599588 360500814 /nfs/dbraw/zinc/50/08/14/360500814.db2.gz UHPIFBSYEWIPCA-ZDUSSCGKSA-N 2 0 267.417 1.461 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]C2CCC(NC(C)=O)CC2)[C@H](C)C1 ZINC000348758243 360569021 /nfs/dbraw/zinc/56/90/21/360569021.db2.gz ZWYZWICVQYCSNL-KKOFPSKJSA-N 2 0 281.444 1.754 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000626935137 360654491 /nfs/dbraw/zinc/65/44/91/360654491.db2.gz YAKZIVRFTOOXOR-APIJFGDWSA-N 2 0 296.459 1.404 10 0 CDAERP C([C@H]1CCN(CC23CC(C2)C[NH2+]3)C1)[NH+]1CCCCC1 ZINC000634992799 360625553 /nfs/dbraw/zinc/62/55/53/360625553.db2.gz BEEFYJJEFWALHT-QQFBHYJXSA-N 2 0 263.429 1.546 10 0 CDAERP C[C@@H]1C[N@H+](Cc2cn(C)nc2C(C)(C)C)C[C@H]1C[NH3+] ZINC000634998213 360635178 /nfs/dbraw/zinc/63/51/78/360635178.db2.gz CFLGESFZYIPTDP-VXGBXAGGSA-N 2 0 264.417 1.744 10 0 CDAERP CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000246245153 360821110 /nfs/dbraw/zinc/82/11/10/360821110.db2.gz HBFSGDIWPCHHTG-XHSDSOJGSA-N 2 0 293.455 1.755 10 0 CDAERP C[NH+](C)CCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000179220684 189178480 /nfs/dbraw/zinc/17/84/80/189178480.db2.gz DYTACVPVNFWIKT-CABCVRRESA-N 2 0 290.411 1.293 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000564726266 360899175 /nfs/dbraw/zinc/89/91/75/360899175.db2.gz MLTGZNQIWBVRRL-STQMWFEESA-N 2 0 253.390 1.104 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000631645106 361072631 /nfs/dbraw/zinc/07/26/31/361072631.db2.gz WLYQTNRITIKVOH-ZQNQSHIBSA-N 2 0 264.413 1.874 10 0 CDAERP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)COC(C)(C)C)CC[C@H]21 ZINC000158574502 361292232 /nfs/dbraw/zinc/29/22/32/361292232.db2.gz MGBQRRQJGLVKQH-QLFBSQMISA-N 2 0 284.444 1.579 10 0 CDAERP COC(=O)[C@H](CC(C)C)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339434230 361496192 /nfs/dbraw/zinc/49/61/92/361496192.db2.gz QXXRARRMFVPWGH-HOCLYGCPSA-N 2 0 282.428 1.992 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000333852943 291279327 /nfs/dbraw/zinc/27/93/27/291279327.db2.gz XREGQFAWJBWNSZ-UBHSHLNASA-N 2 0 280.416 1.134 10 0 CDAERP CC[NH+](CC)CCC[N@@H+]1C[C@H]2COCC[C@@]2(C(=O)OC)C1 ZINC000366471577 361702577 /nfs/dbraw/zinc/70/25/77/361702577.db2.gz VKKVSJFSYMLMCA-GOEBONIOSA-N 2 0 298.427 1.230 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000185997325 363834819 /nfs/dbraw/zinc/83/48/19/363834819.db2.gz DSZDQJXDBJLBTE-UHFFFAOYSA-N 2 0 284.448 1.454 10 0 CDAERP CC[C@H](Cn1cncn1)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000353382682 363940685 /nfs/dbraw/zinc/94/06/85/363940685.db2.gz IMXZZFJKLAAQNI-MRXNPFEDSA-N 2 0 287.411 1.908 10 0 CDAERP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](C)[C@@H]2CCCO2)CC1 ZINC000193007836 364118597 /nfs/dbraw/zinc/11/85/97/364118597.db2.gz UKHQEAOBVFGDTH-HOTGVXAUSA-N 2 0 283.460 1.560 10 0 CDAERP C[C@@H](O)CCNc1ncnc2c1cnn2-c1ccncc1 ZINC000269880039 364365903 /nfs/dbraw/zinc/36/59/03/364365903.db2.gz YIWQELRHUWVLND-SNVBAGLBSA-N 2 0 284.323 1.393 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)[C@H]2CCC[C@H]21 ZINC000643349445 364846747 /nfs/dbraw/zinc/84/67/47/364846747.db2.gz LINNONPRDSZRFO-DGXTUMSLSA-N 2 0 293.455 1.741 10 0 CDAERP C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1C)[NH+]1CCCCCC1 ZINC000175709862 367105261 /nfs/dbraw/zinc/10/52/61/367105261.db2.gz JNJJFWJFWWFJEN-KBPBESRZSA-N 2 0 267.417 1.461 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000626987202 367152884 /nfs/dbraw/zinc/15/28/84/367152884.db2.gz AABWGWZWSAKGTF-ZFWWWQNUSA-N 2 0 296.459 1.548 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000566862698 370830557 /nfs/dbraw/zinc/83/05/57/370830557.db2.gz QFNNFNLBUURTMW-AAEUAGOBSA-N 2 0 261.369 1.045 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)NCC2(C[NH+](C)C)CCCC2)C[NH2+]1 ZINC000627013028 367236040 /nfs/dbraw/zinc/23/60/40/367236040.db2.gz BWNQCEUYNMCJED-KGLIPLIRSA-N 2 0 296.459 1.548 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000627023213 367246390 /nfs/dbraw/zinc/24/63/90/367246390.db2.gz NUZJCUMVVLIYMI-XQQFMLRXSA-N 2 0 282.432 1.156 10 0 CDAERP CC(=O)N1CCN(Cc2ccc(-n3ccnc3)cc2C)CC1 ZINC000191908176 367315777 /nfs/dbraw/zinc/31/57/77/367315777.db2.gz SBPDABBRYNRWFO-UHFFFAOYSA-N 2 0 298.390 1.845 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)N[C@@H](C[NH3+])C1CCCC1)C2 ZINC000627087794 367416149 /nfs/dbraw/zinc/41/61/49/367416149.db2.gz CFCOJHORIVLVMN-CWRNSKLLSA-N 2 0 294.443 1.145 10 0 CDAERP C(C[C@H]1CCO1)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000637988041 367563937 /nfs/dbraw/zinc/56/39/37/367563937.db2.gz NMVWQTPZAIVCAP-KRWDZBQOSA-N 2 0 296.455 1.990 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000416834608 242176436 /nfs/dbraw/zinc/17/64/36/242176436.db2.gz YNOKDELRZWEZON-VXGBXAGGSA-N 2 0 270.421 1.286 10 0 CDAERP C[C@@H](NC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)[C@H](C)[NH3+] ZINC000416841834 242179592 /nfs/dbraw/zinc/17/95/92/242179592.db2.gz MOUIVOJKQHIQFQ-GUTXKFCHSA-N 2 0 292.427 1.194 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC000627164467 367595177 /nfs/dbraw/zinc/59/51/77/367595177.db2.gz NUSOCEIDKSBHQZ-RFQIPJPRSA-N 2 0 282.432 1.251 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000417009198 242265231 /nfs/dbraw/zinc/26/52/31/242265231.db2.gz NEOJQGIJQOZICE-ZIAGYGMSSA-N 2 0 284.448 1.487 10 0 CDAERP C[C@H](CNC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)C[NH+]1CCCC1 ZINC000417163952 242341925 /nfs/dbraw/zinc/34/19/25/242341925.db2.gz TUELQUIVZDPWDY-HZSPNIEDSA-N 2 0 282.432 1.016 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[NH2+]1 ZINC000627197679 367685853 /nfs/dbraw/zinc/68/58/53/367685853.db2.gz FFIBZONKSCNUCN-RFGFWPKPSA-N 2 0 282.432 1.251 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000627201181 367693685 /nfs/dbraw/zinc/69/36/85/367693685.db2.gz YCNHSXFRVUFNMG-BFHYXJOUSA-N 2 0 282.432 1.253 10 0 CDAERP C[C@@H]1C[C@@H](C[NH2+]CCCNCc2cccnc2)CC[NH2+]1 ZINC000414857306 367713107 /nfs/dbraw/zinc/71/31/07/367713107.db2.gz COWQQZVUYIBSBX-CABCVRRESA-N 2 0 276.428 1.539 10 0 CDAERP [NH3+][C@@H]1CC=C(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000638051816 367814424 /nfs/dbraw/zinc/81/44/24/367814424.db2.gz RZFHOMXALDYKRX-HZPDHXFCSA-N 2 0 285.391 1.425 10 0 CDAERP CCCC[C@@H](C[NH3+])NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418444049 243083666 /nfs/dbraw/zinc/08/36/66/243083666.db2.gz LYFNUMRCXIJDNU-WJLOJVBCSA-N 2 0 282.432 1.428 10 0 CDAERP [NH3+]C[C@H](NC(=O)NC[C@H]([NH3+])c1ccccc1)C1CCCC1 ZINC000418449817 243092640 /nfs/dbraw/zinc/09/26/40/243092640.db2.gz KTNAQRJMOIFPBD-GJZGRUSLSA-N 2 0 290.411 1.503 10 0 CDAERP [NH3+]C[C@@H]1CC[C@H](NC(=O)NC[C@@H]([NH3+])c2ccccc2)C1 ZINC000418457399 243102195 /nfs/dbraw/zinc/10/21/95/243102195.db2.gz VNONSBAYBQUAGM-KWCYVHTRSA-N 2 0 276.384 1.113 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)NCC1([NH3+])CCCCC1 ZINC000261945839 482950878 /nfs/dbraw/zinc/95/08/78/482950878.db2.gz FURCPMZTCGYPFR-VXGBXAGGSA-N 2 0 253.390 1.139 10 0 CDAERP CC[NH+]1CCC(CNC(=O)c2ccccc2CC[NH3+])CC1 ZINC000070552825 368745631 /nfs/dbraw/zinc/74/56/31/368745631.db2.gz XVZOTMSYGIOONW-UHFFFAOYSA-N 2 0 289.423 1.650 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000543641300 368942868 /nfs/dbraw/zinc/94/28/68/368942868.db2.gz MLNKRBGKABFGRC-ZIAGYGMSSA-N 2 0 282.432 1.206 10 0 CDAERP [NH3+]Cc1ccc(-n2cc([C@H]([NH3+])C3CCOCC3)nn2)cc1 ZINC000630593215 369345327 /nfs/dbraw/zinc/34/53/27/369345327.db2.gz BKJSLMVIGVJBNV-OAHLLOKOSA-N 2 0 287.367 1.152 10 0 CDAERP C[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)[NH+](C)C1CC1 ZINC000353506225 369426265 /nfs/dbraw/zinc/42/62/65/369426265.db2.gz XFUIYJBXUZEBFE-DTZQCDIJSA-N 2 0 265.445 1.932 10 0 CDAERP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000368428455 369473637 /nfs/dbraw/zinc/47/36/37/369473637.db2.gz FYYZLXKSSUCQCH-CRWXNKLISA-N 2 0 267.417 1.350 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)C1CC(O)C1 ZINC000546962672 369476017 /nfs/dbraw/zinc/47/60/17/369476017.db2.gz CQPMXYQUBUZILI-UHFFFAOYSA-N 2 0 272.352 1.531 10 0 CDAERP [NH3+]CC1(CCNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000638388350 369632591 /nfs/dbraw/zinc/63/25/91/369632591.db2.gz UYFDZQQCZCOCFM-UHFFFAOYSA-N 2 0 265.401 1.108 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638401161 369752258 /nfs/dbraw/zinc/75/22/58/369752258.db2.gz POMPUKSNUIDBML-YPMHNXCESA-N 2 0 265.401 1.271 10 0 CDAERP Cn1ccnc1CN[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000289936587 369725027 /nfs/dbraw/zinc/72/50/27/369725027.db2.gz ATRCTNMEMZDDPY-CQSZACIVSA-N 2 0 276.359 1.952 10 0 CDAERP C[NH+](C)[C@@H]1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000170861655 369964917 /nfs/dbraw/zinc/96/49/17/369964917.db2.gz UZHRRSJHGVQORL-CYBMUJFWSA-N 2 0 296.459 1.641 10 0 CDAERP CO[C@H](C)[C@@H](C)[NH2+]Cc1cccnc1-n1ccnc1 ZINC000370669999 370121950 /nfs/dbraw/zinc/12/19/50/370121950.db2.gz UOCKFCOYMNYENW-VXGBXAGGSA-N 2 0 260.341 1.780 10 0 CDAERP COC[C@@H](C)C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000249962724 370189256 /nfs/dbraw/zinc/18/92/56/370189256.db2.gz WOCYYVMRMWBFEZ-WMLDXEAASA-N 2 0 292.423 1.625 10 0 CDAERP CC[C@H]1C[C@@H](C[NH+]2CCC([NH2+]CCOC)CC2)CCO1 ZINC000565837066 370548495 /nfs/dbraw/zinc/54/84/95/370548495.db2.gz KRKGKSIVXCYKLX-HOCLYGCPSA-N 2 0 284.444 1.892 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCc1ccc(F)c(F)c1 ZINC000566088773 370603853 /nfs/dbraw/zinc/60/38/53/370603853.db2.gz LMULXHCDNDNDBN-LBPRGKRZSA-N 2 0 272.339 1.851 10 0 CDAERP FC(F)(F)COCCC[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422631144 245142787 /nfs/dbraw/zinc/14/27/87/245142787.db2.gz FAFGVZNJVPQYCS-UHFFFAOYSA-N 2 0 266.307 1.783 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)CN1CCC[C@@H](C)C1 ZINC000422750448 245211687 /nfs/dbraw/zinc/21/16/87/245211687.db2.gz AUDBNTQZPCMXOZ-ILXRZTDVSA-N 2 0 271.449 1.450 10 0 CDAERP CC[C@@H](Cn1cncn1)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000340466850 371064114 /nfs/dbraw/zinc/06/41/14/371064114.db2.gz NRICZFABEXEBPM-KGLIPLIRSA-N 2 0 265.405 1.378 10 0 CDAERP C[C@@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)C1C[NH2+]C1 ZINC000422760162 245221694 /nfs/dbraw/zinc/22/16/94/245221694.db2.gz GFZVBDGKFDACRX-CQSZACIVSA-N 2 0 289.423 1.216 10 0 CDAERP CC(C)COC[C@@H](O)C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000567687523 371100117 /nfs/dbraw/zinc/10/01/17/371100117.db2.gz QQNQATFXVOXOOY-GPANFISMSA-N 2 0 286.460 1.730 10 0 CDAERP COc1cc(C)c(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)c(C)n1 ZINC000414968266 371115868 /nfs/dbraw/zinc/11/58/68/371115868.db2.gz YKAMLBBCPQRYPK-BXUZGUMPSA-N 2 0 263.385 1.795 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NCCCC[NH+]2CCC(C)CC2)C1 ZINC000573826072 371672106 /nfs/dbraw/zinc/67/21/06/371672106.db2.gz XQENLSTVDDQHPQ-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)N(C)CC2CC[NH+](C)CC2)C1 ZINC000171430725 372186933 /nfs/dbraw/zinc/18/69/33/372186933.db2.gz IBFIXHWOHWJMCW-HNNXBMFYSA-N 2 0 296.459 1.454 10 0 CDAERP CSCC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000172751738 372418759 /nfs/dbraw/zinc/41/87/59/372418759.db2.gz LNEZJHFPIGWHTN-UHFFFAOYSA-N 2 0 299.484 1.416 10 0 CDAERP CC[N@H+](CCNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)C1CC1 ZINC000174577304 372607520 /nfs/dbraw/zinc/60/75/20/372607520.db2.gz MHUBPYUDWUQCLU-HNNXBMFYSA-N 2 0 292.427 1.126 10 0 CDAERP OC[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000423005012 245485213 /nfs/dbraw/zinc/48/52/13/245485213.db2.gz LLDKNZJFSNIKJZ-JZWPEALZSA-N 2 0 260.381 1.635 10 0 CDAERP CNC(=O)C[C@@H]([NH2+][C@H](C)CCCC[NH3+])c1ccccc1 ZINC000423093397 245565267 /nfs/dbraw/zinc/56/52/67/245565267.db2.gz HIPNNRUYCBTPAN-UKRRQHHQSA-N 2 0 277.412 1.971 10 0 CDAERP C[C@H]1CCC[N@H+](CCNC(=O)NC[C@@H]2CCC[NH+]2C)C1 ZINC000195128051 372938366 /nfs/dbraw/zinc/93/83/66/372938366.db2.gz DORNFEJKISGRDF-KBPBESRZSA-N 2 0 282.432 1.112 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000333396823 205285108 /nfs/dbraw/zinc/28/51/08/205285108.db2.gz PKZDZCAHCDQZII-MJBXVCDLSA-N 2 0 282.432 1.238 10 0 CDAERP CO[C@@H](C)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000182066626 373019873 /nfs/dbraw/zinc/01/98/73/373019873.db2.gz BOHXGAHZOHMNJJ-ZDUSSCGKSA-N 2 0 256.390 1.066 10 0 CDAERP C[NH2+][C@H](C)C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000382720656 373069027 /nfs/dbraw/zinc/06/90/27/373069027.db2.gz MFCLUFYOFDZELA-HUUCEWRRSA-N 2 0 289.423 1.717 10 0 CDAERP CC(C)[NH+]1CCN(CCCN2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000631834702 373739987 /nfs/dbraw/zinc/73/99/87/373739987.db2.gz DFPWFFGZKYLAQK-QGZVFWFLSA-N 2 0 296.503 1.606 10 0 CDAERP O=C([C@@H]1CCC[NH2+]C1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000169816104 284477927 /nfs/dbraw/zinc/47/79/27/284477927.db2.gz NYHAYUDJWDKPND-CABCVRRESA-N 2 0 273.380 1.159 10 0 CDAERP CC[C@H](C(=O)N[C@H](CC(C)C)C[NH+](C)C)[NH+](C)C ZINC000126569191 375009419 /nfs/dbraw/zinc/00/94/19/375009419.db2.gz DQCVHEHAKQMIPY-CHWSQXEVSA-N 2 0 257.422 1.419 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)C[N@H+](C)C(C)C ZINC000126817781 375026385 /nfs/dbraw/zinc/02/63/85/375026385.db2.gz BROQNMGYPKBWSA-ZDUSSCGKSA-N 2 0 257.422 1.419 10 0 CDAERP Cn1nccc1CC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000300065861 375297273 /nfs/dbraw/zinc/29/72/73/375297273.db2.gz IMGZKXBBYYSAJW-UKRRQHHQSA-N 2 0 262.401 1.427 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC([NH+](C)C)CC1 ZINC000334402623 375269347 /nfs/dbraw/zinc/26/93/47/375269347.db2.gz ZSANQEXHNHNBHU-CHWSQXEVSA-N 2 0 267.417 1.412 10 0 CDAERP Cc1cn2c(n1)C[C@H](C(=O)NC(C)(C)C[NH+](C)C)CC2 ZINC000627705411 375532279 /nfs/dbraw/zinc/53/22/79/375532279.db2.gz RQNIKABQJJBDON-GFCCVEGCSA-N 2 0 278.400 1.210 10 0 CDAERP Cc1cn2c(n1)C[C@H](C(=O)N(C)C[C@H]1CCC[N@@H+]1C)CC2 ZINC000627796386 375688802 /nfs/dbraw/zinc/68/88/02/375688802.db2.gz QHMPGNBKIWEMJC-ZIAGYGMSSA-N 2 0 290.411 1.307 10 0 CDAERP CC[NH+](CC)[C@@H](CNC(=O)NCCC[NH3+])c1ccco1 ZINC000417318442 375778508 /nfs/dbraw/zinc/77/85/08/375778508.db2.gz YYKPONNKKFXWHZ-LBPRGKRZSA-N 2 0 282.388 1.311 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1COc2cc(F)cc(F)c21 ZINC000643480642 376023010 /nfs/dbraw/zinc/02/30/10/376023010.db2.gz KKBZRHSKCSBEHV-CMPLNLGQSA-N 2 0 286.322 1.742 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)NC[C@H](C)C[NH2+]C)CC1 ZINC000417390009 376315320 /nfs/dbraw/zinc/31/53/20/376315320.db2.gz KXKXJTUBUIQATC-CYBMUJFWSA-N 2 0 284.448 1.263 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)C[NH2+]CC2CC2)CC1 ZINC000638975209 376325868 /nfs/dbraw/zinc/32/58/68/376325868.db2.gz GLZABSNFZYEUKA-UHFFFAOYSA-N 2 0 267.417 1.319 10 0 CDAERP CCOC(=O)CC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420392089 376345919 /nfs/dbraw/zinc/34/59/19/376345919.db2.gz IYCSHBUJRGLRMB-QWHCGFSZSA-N 2 0 254.374 1.404 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)NCC2([NH3+])CCCCCC2)CC[N@@H+]1C ZINC000334603513 376477202 /nfs/dbraw/zinc/47/72/02/376477202.db2.gz LQKLAJNOHIDAHK-KGLIPLIRSA-N 2 0 296.459 1.820 10 0 CDAERP COc1ccc([C@H](C[NH3+])CN2CCCCC[C@@H]([NH3+])C2)cc1 ZINC000631834827 376678771 /nfs/dbraw/zinc/67/87/71/376678771.db2.gz GJPAAGGUYRLNMS-HZPDHXFCSA-N 2 0 291.439 1.941 10 0 CDAERP CC[NH+](CC)CC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000068095258 376705939 /nfs/dbraw/zinc/70/59/39/376705939.db2.gz ZHPWPOSDBRVXED-AWEZNQCLSA-N 2 0 297.443 1.040 10 0 CDAERP COc1cc(C[C@@H](C)[NH2+][C@H]2CCc3nc[nH]c3C2)ccn1 ZINC000639192076 377397612 /nfs/dbraw/zinc/39/76/12/377397612.db2.gz OYMJBXVTZAYEMO-YPMHNXCESA-N 2 0 286.379 1.891 10 0 CDAERP O=C1C(C[NH2+]CCN2CCCC2)=CC2=CC=C[C@H]3CCN1[C@H]23 ZINC000039287515 377426579 /nfs/dbraw/zinc/42/65/79/377426579.db2.gz OKEFDLLYRVTRRX-YOEHRIQHSA-N 2 0 299.418 1.325 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CC=C(C)CC2)CC[N@@H+]1C ZINC000632472479 377507413 /nfs/dbraw/zinc/50/74/13/377507413.db2.gz SXHGETVUCWHESV-LSDHHAIUSA-N 2 0 279.428 1.485 10 0 CDAERP O=C(N[C@H]1CC[NH2+]C1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000334932791 377696403 /nfs/dbraw/zinc/69/64/03/377696403.db2.gz YECJXMHRZSPPRE-KBPBESRZSA-N 2 0 280.416 1.008 10 0 CDAERP CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000131979455 377704134 /nfs/dbraw/zinc/70/41/34/377704134.db2.gz HBFSGDIWPCHHTG-JYJNAYRXSA-N 2 0 293.455 1.755 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000252441997 377679286 /nfs/dbraw/zinc/67/92/86/377679286.db2.gz FYVYZQWKSDCYGT-CABCVRRESA-N 2 0 294.443 1.350 10 0 CDAERP C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000334949060 377773688 /nfs/dbraw/zinc/77/36/88/377773688.db2.gz COVJQMXGHCAKNG-OLZOCXBDSA-N 2 0 267.417 1.223 10 0 CDAERP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261754032 377898233 /nfs/dbraw/zinc/89/82/33/377898233.db2.gz LJIOEKJRUDYSGI-CABCVRRESA-N 2 0 297.443 1.073 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000633084273 378110730 /nfs/dbraw/zinc/11/07/30/378110730.db2.gz HCBYUIAVBKNSRM-AWEZNQCLSA-N 2 0 298.475 1.842 10 0 CDAERP CC[NH+](CC)C[C@H](C)N[C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261954484 284725504 /nfs/dbraw/zinc/72/55/04/284725504.db2.gz OUQUNAZAHIOOKQ-ZJIFWQFVSA-N 2 0 283.460 1.463 10 0 CDAERP Cc1nc(F)ccc1C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000278541691 194034198 /nfs/dbraw/zinc/03/41/98/194034198.db2.gz TYJDNXMKVXVIPW-OAHLLOKOSA-N 2 0 295.402 1.856 10 0 CDAERP C[NH+](C)CCC[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000662327274 412899932 /nfs/dbraw/zinc/89/99/32/412899932.db2.gz LWNOUMKJMPUUNZ-HUUCEWRRSA-N 2 0 269.433 1.029 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C[C@H]1CCSC1 ZINC000657572845 412904530 /nfs/dbraw/zinc/90/45/30/412904530.db2.gz HYRAWHCTEGXTMS-UONOGXRCSA-N 2 0 273.490 1.601 10 0 CDAERP Cc1ccncc1C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000657573730 412907643 /nfs/dbraw/zinc/90/76/43/412907643.db2.gz RLQFZOLYFOIOQQ-HNNXBMFYSA-N 2 0 278.444 1.752 10 0 CDAERP C[C@@H]1CC2(C[N@@H+]1CC(=O)NC(C)(C)C)CC[NH2+]CC2 ZINC000335275623 296294166 /nfs/dbraw/zinc/29/41/66/296294166.db2.gz FCHLWCQPLJMVPS-GFCCVEGCSA-N 2 0 267.417 1.365 10 0 CDAERP CN(C(=O)NC[C@H]1CCCC[NH2+]1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000634268640 379276109 /nfs/dbraw/zinc/27/61/09/379276109.db2.gz BJEKCFYDDKNQDX-TZMCWYRMSA-N 2 0 280.416 1.007 10 0 CDAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000333547082 300002749 /nfs/dbraw/zinc/00/27/49/300002749.db2.gz JWKPJNDFJGTROG-LUGNKYPNSA-N 2 0 294.443 1.299 10 0 CDAERP CC(C)[N@@H+]1CCCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655915670 412923025 /nfs/dbraw/zinc/92/30/25/412923025.db2.gz PKSFCMLVKCOZOE-JTQLQIEISA-N 2 0 296.337 1.002 10 0 CDAERP CC[NH2+]CCCNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662399172 412963115 /nfs/dbraw/zinc/96/31/15/412963115.db2.gz JBBFOOUIDVCJPP-HNNXBMFYSA-N 2 0 289.423 1.795 10 0 CDAERP COC[C@@H](CN1CCC2(CCC[N@@H+]2C)CC1)OC ZINC000660167558 412974987 /nfs/dbraw/zinc/97/49/87/412974987.db2.gz TZWZBEJRWFIRTG-CYBMUJFWSA-N 2 0 256.390 1.208 10 0 CDAERP CCCN(C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)C1CC[NH2+]CC1 ZINC000655971264 412984223 /nfs/dbraw/zinc/98/42/23/412984223.db2.gz YKNHPARZMXBYTB-OTVXOJSOSA-N 2 0 296.459 1.500 10 0 CDAERP COC[C@H](C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)OC ZINC000660257248 413022065 /nfs/dbraw/zinc/02/20/65/413022065.db2.gz QTJSBRCBDWEKQV-DZKIICNBSA-N 2 0 284.444 1.890 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)[C@](C)([NH3+])c2ccccc2)C1 ZINC000052882621 413040790 /nfs/dbraw/zinc/04/07/90/413040790.db2.gz MJEMXUVVEUXMKN-DZGCQCFKSA-N 2 0 261.369 1.071 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000647055970 390381482 /nfs/dbraw/zinc/38/14/82/390381482.db2.gz MPIKRYOWJZDHRF-KGLIPLIRSA-N 2 0 279.428 1.509 10 0 CDAERP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2CCCC(C)(C)C2)CC1 ZINC000573914704 390660515 /nfs/dbraw/zinc/66/05/15/390660515.db2.gz PQHQCQGAGXTXSV-GJZGRUSLSA-N 2 0 283.460 1.153 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)C2([NH3+])CCCCC2)CC[N@@H+]1C ZINC000237564324 390855186 /nfs/dbraw/zinc/85/51/86/390855186.db2.gz VOEVVFRPITZTAG-OLZOCXBDSA-N 2 0 267.417 1.589 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[C@@H]2C[NH3+])[C@H](C)C1 ZINC000261817831 285392619 /nfs/dbraw/zinc/39/26/19/285392619.db2.gz SLBRDMCHQLRBEL-TUVASFSCSA-N 2 0 281.444 1.550 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000403647736 390952429 /nfs/dbraw/zinc/95/24/29/390952429.db2.gz IYXUHPIRDAGAPO-MCIONIFRSA-N 2 0 252.402 1.469 10 0 CDAERP O=C(N[C@@H]1CC[NH2+]C12CCCC2)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000648209759 390952751 /nfs/dbraw/zinc/95/27/51/390952751.db2.gz BKWGUDTWSNXHKL-RRFJBIMHSA-N 2 0 291.439 1.413 10 0 CDAERP O=C(N[C@H]1CC[NH2+]C12CCCC2)[C@@H]1C[NH2+]CCC1(F)F ZINC000648210497 390952993 /nfs/dbraw/zinc/95/29/93/390952993.db2.gz SYYIKFRFDCEXNR-QWRGUYRKSA-N 2 0 287.354 1.022 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C[C@]2(C)CC[NH2+]C2)C[C@@H]1C ZINC000261998258 285397085 /nfs/dbraw/zinc/39/70/85/285397085.db2.gz LBUSHBAYCVQILE-SOUVJXGZSA-N 2 0 253.434 1.791 10 0 CDAERP C[N@H+](C[C@H](O)CC(F)(F)F)C[C@H]1CC[NH+](C)C1 ZINC000307932107 391024857 /nfs/dbraw/zinc/02/48/57/391024857.db2.gz FKQQLWGCSRDZKW-VHSXEESVSA-N 2 0 254.296 1.183 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(C(C)(C)C)C2)[C@@H]2CCC[C@H]21 ZINC000353632237 391059555 /nfs/dbraw/zinc/05/95/55/391059555.db2.gz ONNOWDZKZWIDBJ-CBBWQLFWSA-N 2 0 293.455 1.848 10 0 CDAERP COC[C@@](C)(CCO)[NH2+]CCCC1CC[NH2+]CC1 ZINC000647892200 391170794 /nfs/dbraw/zinc/17/07/94/391170794.db2.gz AZGZZZFEYYHZOI-CQSZACIVSA-N 2 0 258.406 1.143 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)Nc1ccccc1CC[NH+](C)C ZINC000415559306 391174071 /nfs/dbraw/zinc/17/40/71/391174071.db2.gz FEXQYRSVGLNURO-RYUDHWBXSA-N 2 0 278.400 1.648 10 0 CDAERP CN(C(=O)C1CC[NH+](C2CC2)CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000338823440 391225736 /nfs/dbraw/zinc/22/57/36/391225736.db2.gz WHKVFALTECNSKR-INIZCTEOSA-N 2 0 291.439 1.556 10 0 CDAERP CC(C)[C@H](Cn1cccn1)[NH2+]CCCC[NH+](C)C ZINC000306067504 391248813 /nfs/dbraw/zinc/24/88/13/391248813.db2.gz YPPHRVAQZNNNBR-AWEZNQCLSA-N 2 0 252.406 1.839 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)C[C@H](C)O1 ZINC000648433413 391319256 /nfs/dbraw/zinc/31/92/56/391319256.db2.gz FQKAFYWEQAKARV-YJNKXOJESA-N 2 0 270.417 1.379 10 0 CDAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000418062043 391375094 /nfs/dbraw/zinc/37/50/94/391375094.db2.gz FURLRNZLKBZFMK-KBPBESRZSA-N 2 0 296.459 1.406 10 0 CDAERP C[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1)[C@H]([NH3+])c1ccccc1 ZINC000417839358 391503920 /nfs/dbraw/zinc/50/39/20/391503920.db2.gz NRVYAWUJINIILK-LNCBFAARSA-N 2 0 289.423 1.766 10 0 CDAERP COC(=O)[C@@H]1CSCC[N@H+](CCn2ccnc2C)C1 ZINC000412086715 391590141 /nfs/dbraw/zinc/59/01/41/391590141.db2.gz VLBBGOFYSDMZKY-LBPRGKRZSA-N 2 0 283.397 1.030 10 0 CDAERP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCN(C)C(=O)C1 ZINC000424326074 391672937 /nfs/dbraw/zinc/67/29/37/391672937.db2.gz NECLUYNBPZQORC-SYQHCUMBSA-N 2 0 267.417 1.173 10 0 CDAERP CNC(=O)c1ccc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1 ZINC000415050904 391725822 /nfs/dbraw/zinc/72/58/22/391725822.db2.gz DVDIYQKSEYUXGZ-MLGOLLRUSA-N 2 0 275.396 1.463 10 0 CDAERP C[C@H]1C[N@H+](C)C[C@@H]1NC1CC[NH+](CC2CC2)CC1 ZINC000341875861 130102997 /nfs/dbraw/zinc/10/29/97/130102997.db2.gz DINPUPORNGCWOM-WFASDCNBSA-N 2 0 251.418 1.401 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000418202845 391804721 /nfs/dbraw/zinc/80/47/21/391804721.db2.gz NVKKXCOHZOZGKX-SOUVJXGZSA-N 2 0 296.459 1.500 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)NCCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000418191960 391794812 /nfs/dbraw/zinc/79/48/12/391794812.db2.gz LTNTZTDOGBXQEU-HIFRSBDPSA-N 2 0 290.411 1.297 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000418202254 391810509 /nfs/dbraw/zinc/81/05/09/391810509.db2.gz MSUXSINOUMVFMI-AVGNSLFASA-N 2 0 270.421 1.238 10 0 CDAERP CC[NH2+]Cc1ccccc1NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000647664515 391830708 /nfs/dbraw/zinc/83/07/08/391830708.db2.gz DNWANBONWOGKGF-IMRBUKKESA-N 2 0 259.353 1.200 10 0 CDAERP CC[C@H](C[NH+]1CCCC1)NC(=O)COC1CCC([NH3+])CC1 ZINC000646012540 391900133 /nfs/dbraw/zinc/90/01/33/391900133.db2.gz RORDEECYKBGSKY-SHARSMKWSA-N 2 0 297.443 1.264 10 0 CDAERP C[C@H]([NH2+]CCN(C)Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400380784 391959482 /nfs/dbraw/zinc/95/94/82/391959482.db2.gz KEAXFZPHHJDQNK-GOEBONIOSA-N 2 0 261.413 1.706 10 0 CDAERP C([NH2+][C@@H](C1CC1)[C@H]1CNCCO1)C1CC[NH+](C2CC2)CC1 ZINC000423091719 392337453 /nfs/dbraw/zinc/33/74/53/392337453.db2.gz YJRACUGMUZAZLR-SJORKVTESA-N 2 0 293.455 1.217 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1CC(=O)Nc1c[nH+]ccc1-n1ccnc1 ZINC000261737221 131165588 /nfs/dbraw/zinc/16/55/88/131165588.db2.gz LMTMWKZMFDWVCJ-NWDGAFQWSA-N 2 0 285.351 1.723 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](CO)C1CCCCC1 ZINC000423135890 392373917 /nfs/dbraw/zinc/37/39/17/392373917.db2.gz OMPCDEXVCXCRLY-HUUCEWRRSA-N 2 0 272.433 1.519 10 0 CDAERP COc1ncccc1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423140320 392379214 /nfs/dbraw/zinc/37/92/14/392379214.db2.gz MKIUCHIPZNFVSC-PBWFPOADSA-N 2 0 261.369 1.505 10 0 CDAERP c1ccc([C@H]2CC[C@@H]([NH2+]CCN3CC[NH2+]CC3)C2)cc1 ZINC000423202698 392439678 /nfs/dbraw/zinc/43/96/78/392439678.db2.gz LBDAHGKBSXOJLS-DLBZAZTESA-N 2 0 273.424 1.818 10 0 CDAERP COc1ccc([C@@H](NCCCC[NH3+])[C@@H]2CCC[NH2+]2)cc1 ZINC000423330009 392517897 /nfs/dbraw/zinc/51/78/97/392517897.db2.gz PJJSHAAVVACJMO-JKSUJKDBSA-N 2 0 277.412 1.817 10 0 CDAERP COc1ccc([C@@H](NCCCC[NH3+])[C@H]2CCC[NH2+]2)cc1 ZINC000423330008 392518259 /nfs/dbraw/zinc/51/82/59/392518259.db2.gz PJJSHAAVVACJMO-HZPDHXFCSA-N 2 0 277.412 1.817 10 0 CDAERP [NH3+][C@H](C[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)C1CC1 ZINC000423336050 392523815 /nfs/dbraw/zinc/52/38/15/392523815.db2.gz XSRYHZUTFVNSKE-KBUPBQIOSA-N 2 0 252.402 1.909 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423401378 392553048 /nfs/dbraw/zinc/55/30/48/392553048.db2.gz QVYRCVSOHYLFSX-IBEHDNSVSA-N 2 0 265.445 1.885 10 0 CDAERP c1cc(C[NH2+][C@H](C2CC2)[C@H]2CNCCO2)cc2c1C[NH2+]C2 ZINC000423386624 392571002 /nfs/dbraw/zinc/57/10/02/392571002.db2.gz MBMBQKZRRPMGHP-IAGOWNOFSA-N 2 0 287.407 1.146 10 0 CDAERP CCC[C@H](C(=O)N(C)C[C@H]1CCC[N@@H+]1CC)[NH+](C)C ZINC000127230298 392608519 /nfs/dbraw/zinc/60/85/19/392608519.db2.gz MTFFXPGUDFFVQC-ZIAGYGMSSA-N 2 0 269.433 1.659 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CC[C@H](C[NH3+])C1 ZINC000646670336 392641544 /nfs/dbraw/zinc/64/15/44/392641544.db2.gz XGTRLYKTRADCOO-CHWSQXEVSA-N 2 0 253.390 1.058 10 0 CDAERP C[C@@H](Cc1ccoc1)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000449219987 392715369 /nfs/dbraw/zinc/71/53/69/392715369.db2.gz BQEWDWBBYDSMNT-AWEZNQCLSA-N 2 0 279.428 1.826 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N(C)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000517392406 392885103 /nfs/dbraw/zinc/88/51/03/392885103.db2.gz ZFEYBPQRWLDJSK-GJZGRUSLSA-N 2 0 281.444 1.661 10 0 CDAERP O[C@@H](C[NH2+][C@H]1CCCSCC1)C[NH+]1CCCCC1 ZINC000657843900 413055673 /nfs/dbraw/zinc/05/56/73/413055673.db2.gz FEQHKQKTIDFEPN-KBPBESRZSA-N 2 0 272.458 1.709 10 0 CDAERP CC[NH+]1CCC(NC(=O)CN2CCC[C@@](C)(F)C2)CC1 ZINC000451122382 393109381 /nfs/dbraw/zinc/10/93/81/393109381.db2.gz QWUJFBDEEBSOPL-OAHLLOKOSA-N 2 0 285.407 1.411 10 0 CDAERP CC[C@@H]1CCCCN1CC[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000495079711 393173042 /nfs/dbraw/zinc/17/30/42/393173042.db2.gz OYUWOCBRIDRLGV-ZIAGYGMSSA-N 2 0 281.444 1.898 10 0 CDAERP O[C@@H]1C[C@H]([C@@H]2CCCOC2)[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000451297693 393208368 /nfs/dbraw/zinc/20/83/68/393208368.db2.gz DAGCVJYLKWRFQX-BRWVUGGUSA-N 2 0 296.455 1.724 10 0 CDAERP C[C@@H](CNC(=O)N(C)CC1C[NH+](C)C1)[N@@H+]1CCCC[C@H]1C ZINC000660343741 413071211 /nfs/dbraw/zinc/07/12/11/413071211.db2.gz ZOCMFGKGZALNHL-KGLIPLIRSA-N 2 0 296.459 1.452 10 0 CDAERP CCCCC[N@@H+]1CCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001663536684 1172718631 /nfs/dbraw/zinc/71/86/31/1172718631.db2.gz DUSLAFRNOCSVHI-OAHLLOKOSA-N 2 0 293.455 1.853 10 0 CDAERP CC[NH+]1CCN(c2ccc(CCC[NH2+]C)cc2)CC1 ZINC000082296762 135005223 /nfs/dbraw/zinc/00/52/23/135005223.db2.gz WABDSPRICIEHES-UHFFFAOYSA-N 2 0 261.413 1.981 10 0 CDAERP CC[C@@]1(C(=O)N2CCC([NH+](C)C)CC2)CCC[NH2+]1 ZINC000128782770 139811502 /nfs/dbraw/zinc/81/15/02/139811502.db2.gz AMJMZDZIHRIERR-AWEZNQCLSA-N 2 0 253.390 1.071 10 0 CDAERP C[C@H](NC(=O)c1c[nH+]ccc1N(C)C)C(C)(C)C[NH+](C)C ZINC000183585286 140027964 /nfs/dbraw/zinc/02/79/64/140027964.db2.gz BPIGEPGIVXGNBL-LBPRGKRZSA-N 2 0 292.427 1.854 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000234746683 140231133 /nfs/dbraw/zinc/23/11/33/140231133.db2.gz GNAIZHBBEXHVGQ-IAGOWNOFSA-N 2 0 291.439 1.604 10 0 CDAERP C(C[C@@H]1CCOC1)[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000261574276 140352718 /nfs/dbraw/zinc/35/27/18/140352718.db2.gz MRAYFRDMIWDWDT-TUVASFSCSA-N 2 0 252.402 1.923 10 0 CDAERP [NH3+]C1CCC([NH2+]CCn2cc(Br)cn2)CC1 ZINC000261585817 140357033 /nfs/dbraw/zinc/35/70/33/140357033.db2.gz QQMFFXUMJOAIJI-UHFFFAOYSA-N 2 0 287.205 1.505 10 0 CDAERP CN(Cc1ccc2c(c1)OCO2)C[C@]1(C)CC[NH2+]C1 ZINC000261744127 140383239 /nfs/dbraw/zinc/38/32/39/140383239.db2.gz ITECMZIYGFEWDD-OAHLLOKOSA-N 2 0 262.353 1.847 10 0 CDAERP [NH3+][C@H](C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccccc1 ZINC000261742162 140384064 /nfs/dbraw/zinc/38/40/64/140384064.db2.gz INPDMNXNMYKMJV-ZNMIVQPWSA-N 2 0 273.380 1.144 10 0 CDAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656199778 413096835 /nfs/dbraw/zinc/09/68/35/413096835.db2.gz CZHCAAXAIBDGDV-CORIIIEPSA-N 3 0 276.428 1.840 10 0 CDAERP COC[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)C1CCOCC1 ZINC000658098140 413195940 /nfs/dbraw/zinc/19/59/40/413195940.db2.gz XWVIMGNCLJDYGJ-XJKSGUPXSA-N 2 0 284.444 1.748 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000176207853 148027508 /nfs/dbraw/zinc/02/75/08/148027508.db2.gz JTYMIHFSGVQNHI-CABCVRRESA-N 2 0 298.475 1.842 10 0 CDAERP COC(=O)[C@]1(C)CC[N@H+](CCC[NH+]2CCCC2)C1 ZINC000179218470 148099443 /nfs/dbraw/zinc/09/94/43/148099443.db2.gz AMBPUEILHLJDIS-CQSZACIVSA-N 2 0 254.374 1.357 10 0 CDAERP C(CN1CC[N@@H+]2CCCC[C@H]2C1)C[NH+]1CCCC1 ZINC000179249390 148101495 /nfs/dbraw/zinc/10/14/95/148101495.db2.gz YOSAEEKXYPKDBA-HNNXBMFYSA-N 2 0 251.418 1.642 10 0 CDAERP C[C@@]1(CN2CCO[C@H](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000262078234 149011312 /nfs/dbraw/zinc/01/13/12/149011312.db2.gz SUAAGFGWPIVWGZ-IAGOWNOFSA-N 2 0 274.408 1.930 10 0 CDAERP Cc1cnc(CCN(C)C[C@]2(C)CC[NH2+]C2)s1 ZINC000262082624 149012319 /nfs/dbraw/zinc/01/23/19/149012319.db2.gz TZKUFJAHNAQCAM-CYBMUJFWSA-N 2 0 253.415 1.925 10 0 CDAERP CC1(C)CN(C(=O)C2([NH3+])CCCCC2)CC[C@H]1[NH3+] ZINC000335093843 150281705 /nfs/dbraw/zinc/28/17/05/150281705.db2.gz HHMMORSWMCOQQA-LLVKDONJSA-N 2 0 253.390 1.234 10 0 CDAERP C[NH+]1CCC(NC(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000335272737 150483859 /nfs/dbraw/zinc/48/38/59/150483859.db2.gz PYXJVGPQCPRGGK-UHFFFAOYSA-N 2 0 282.432 1.432 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000654406086 413248488 /nfs/dbraw/zinc/24/84/88/413248488.db2.gz ZLWRXGVWCSEUTM-AWEZNQCLSA-N 2 0 288.395 1.072 10 0 CDAERP CCc1ccc([C@H](CNC(=O)CC2([NH3+])CC2)[NH+](C)C)cc1 ZINC000662662911 413269510 /nfs/dbraw/zinc/26/95/10/413269510.db2.gz KRKRQKIIIKDDNX-HNNXBMFYSA-N 2 0 289.423 1.849 10 0 CDAERP CCC(CC)[C@H](CNC(=O)CC1([NH3+])CC1)[NH+]1CCOCC1 ZINC000662672598 413288822 /nfs/dbraw/zinc/28/88/22/413288822.db2.gz CFIZHFGISQLTJX-AWEZNQCLSA-N 2 0 297.443 1.121 10 0 CDAERP CCO[C@@H]1C[C@H](O)C12CC[NH+](C[C@@]1(C)CC[NH2+]C1)CC2 ZINC000261897222 286410586 /nfs/dbraw/zinc/41/05/86/286410586.db2.gz VFMQGIDJCFDNAV-ZNMIVQPWSA-N 2 0 282.428 1.238 10 0 CDAERP CC[C@H]1C[C@@H](C[N@H+](C)CCCN2CC[NH+](C)CC2)CCO1 ZINC000349292613 154082755 /nfs/dbraw/zinc/08/27/55/154082755.db2.gz CZEQZUSKAFDSNF-IRXDYDNUSA-N 2 0 297.487 1.761 10 0 CDAERP Cc1ccc(O)c(C[N@H+](C)CCCN2CC[NH+](C)CC2)n1 ZINC000349295474 154083822 /nfs/dbraw/zinc/08/38/22/154083822.db2.gz JQTHNEGYTQBLKI-UHFFFAOYSA-N 2 0 292.427 1.165 10 0 CDAERP COC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)C1CCOCC1 ZINC000658239040 413304138 /nfs/dbraw/zinc/30/41/38/413304138.db2.gz SWJZBNLZSOQWSU-LSDHHAIUSA-N 2 0 270.417 1.502 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC[N@@H+]1C ZINC000654458351 413309400 /nfs/dbraw/zinc/30/94/00/413309400.db2.gz GIUFJERQDHMFRQ-MQYQWHSLSA-N 2 0 282.432 1.109 10 0 CDAERP CC(C)[NH+]1CCC([NH2+][C@H]2C[C@H](O)C23CCC3)CC1 ZINC000658250817 413313516 /nfs/dbraw/zinc/31/35/16/413313516.db2.gz DIAUWXKPPMPNHJ-KBPBESRZSA-N 2 0 252.402 1.752 10 0 CDAERP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C[C@H]1CC[NH2+]C1 ZINC000662693265 413328377 /nfs/dbraw/zinc/32/83/77/413328377.db2.gz IIRYXDKXSHLTMO-UONOGXRCSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@@H](NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)C(C)(C)C[NH+](C)C ZINC000654482297 413339550 /nfs/dbraw/zinc/33/95/50/413339550.db2.gz HEDJXWGCQIADKX-MCIONIFRSA-N 2 0 298.475 1.602 10 0 CDAERP C[C@@H](Cn1cccn1)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000355609994 157143329 /nfs/dbraw/zinc/14/33/29/157143329.db2.gz QTXSAERZQFVQMA-NFOMZHRRSA-N 2 0 262.401 1.878 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)CC2([NH3+])CC2)C1 ZINC000662702159 413349248 /nfs/dbraw/zinc/34/92/48/413349248.db2.gz XOVBQGPHGDNRCB-LBPRGKRZSA-N 2 0 253.390 1.104 10 0 CDAERP CCCC[N@H+](C)CC1CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC000362502547 159162463 /nfs/dbraw/zinc/16/24/63/159162463.db2.gz LRFKCKHATHSQQV-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000662731001 413395128 /nfs/dbraw/zinc/39/51/28/413395128.db2.gz WCVQYNBHRBMNFG-ZIAGYGMSSA-N 2 0 281.375 1.358 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000362878862 159259972 /nfs/dbraw/zinc/25/99/72/159259972.db2.gz YEKRLJZCUTYKQO-LSDHHAIUSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)(C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[C@@H]([NH3+])c1ccccc1 ZINC000662750606 413427623 /nfs/dbraw/zinc/42/76/23/413427623.db2.gz UVKJSWMVBWUZSH-MCIONIFRSA-N 2 0 293.386 1.610 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C3([NH2+]C4CC4)CCC3)C[C@H]21 ZINC000662766910 413463056 /nfs/dbraw/zinc/46/30/56/413463056.db2.gz PUWRAZYHRYFMEO-IACUBPJLSA-N 2 0 277.412 1.247 10 0 CDAERP C[C@H]1C[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC[N@@H+]1C ZINC000284442977 196056362 /nfs/dbraw/zinc/05/63/62/196056362.db2.gz UYMWXFFMNROGCX-GXTWGEPZSA-N 2 0 286.379 1.889 10 0 CDAERP CC(C)[NH+]1CCC(C[NH3+])(N(C)CCc2ccccn2)CC1 ZINC000019844018 170892183 /nfs/dbraw/zinc/89/21/83/170892183.db2.gz DDVMCIPTMFMWRG-UHFFFAOYSA-N 2 0 290.455 1.758 10 0 CDAERP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)C(=O)NCCOC ZINC000020315916 171145975 /nfs/dbraw/zinc/14/59/75/171145975.db2.gz TXIPFKFNSXRZIP-KGLIPLIRSA-N 2 0 287.448 1.238 10 0 CDAERP C[N@H+]1[C@@H]2CC[C@H]1CC(C[NH3+])(N1CCCCCC1)C2 ZINC000020524092 171237290 /nfs/dbraw/zinc/23/72/90/171237290.db2.gz LORWNDVJAUDXFU-YIONKMFJSA-N 2 0 251.418 1.817 10 0 CDAERP C[C@H](C(=O)Nc1ccccc1C[NH3+])[NH+]1CCCCC1 ZINC000022221470 171378453 /nfs/dbraw/zinc/37/84/53/171378453.db2.gz KECYVQYEHSXPHQ-GFCCVEGCSA-N 2 0 261.369 1.958 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000653210940 412140397 /nfs/dbraw/zinc/14/03/97/412140397.db2.gz MEDOQJLYWLTGOZ-CYBMUJFWSA-N 2 0 263.385 1.396 10 0 CDAERP [NH3+]CC1(CCNC(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000653215915 412142074 /nfs/dbraw/zinc/14/20/74/412142074.db2.gz ILHFIQOFZAWXLE-CQSZACIVSA-N 2 0 275.396 1.712 10 0 CDAERP C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)N[C@@H]1CCC[NH+](C)C1)C2 ZINC000653169314 412106371 /nfs/dbraw/zinc/10/63/71/412106371.db2.gz KRVCEGRYTRKWKQ-RLAWYHOSSA-N 2 0 280.416 1.005 10 0 CDAERP CN(C)c1cc[nH+]cc1C(=O)NCCC1(C[NH3+])CC1 ZINC000653221818 412146092 /nfs/dbraw/zinc/14/60/92/412146092.db2.gz FXXHMTAXRBKQSX-UHFFFAOYSA-N 2 0 262.357 1.006 10 0 CDAERP C[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000660820702 413519499 /nfs/dbraw/zinc/51/94/99/413519499.db2.gz FSYGOZNMBSLBGY-ZDUSSCGKSA-N 2 0 282.432 1.253 10 0 CDAERP CCO[C@@H]1C[N@H+](CCCCC2CCOCC2)C[C@H]1C[NH3+] ZINC000405215699 413522281 /nfs/dbraw/zinc/52/22/81/413522281.db2.gz NGLZUDOHYBNRQF-HZPDHXFCSA-N 2 0 284.444 1.879 10 0 CDAERP CC(C)([NH3+])c1cc(C(=O)N2CCC(CC[NH3+])CC2)on1 ZINC000662832074 413563826 /nfs/dbraw/zinc/56/38/26/413563826.db2.gz ULJRRIOYDFJYAG-UHFFFAOYSA-N 2 0 280.372 1.069 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000662845536 413597425 /nfs/dbraw/zinc/59/74/25/413597425.db2.gz JFVAWNNHSSQCJC-SWLSCSKDSA-N 2 0 267.417 1.365 10 0 CDAERP CC[NH+](CC)CCN(CCOC)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000654733945 413653625 /nfs/dbraw/zinc/65/36/25/413653625.db2.gz FVJKYEXLTLDNBH-OAHLLOKOSA-N 2 0 299.459 1.145 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000662852498 413606968 /nfs/dbraw/zinc/60/69/68/413606968.db2.gz KWWZLSAASWSJON-QPSCCSFWSA-N 2 0 293.455 1.896 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000659523422 413921191 /nfs/dbraw/zinc/92/11/91/413921191.db2.gz LJJDDZCTQXLDOW-IUODEOHRSA-N 2 0 292.427 1.879 10 0 CDAERP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)[C@H]1CCOC1 ZINC000665234620 413957058 /nfs/dbraw/zinc/95/70/58/413957058.db2.gz HFKZQCNUKVETIQ-UYJHQMFVSA-N 2 0 282.428 1.548 10 0 CDAERP C[C@H]1CC(CNC(=O)N2CCN(C)C[C@H]2C[NH3+])C[C@H](C)C1 ZINC000659566513 413976969 /nfs/dbraw/zinc/97/69/69/413976969.db2.gz LAXPLHXIZBGKNS-UMVBOHGHSA-N 2 0 296.459 1.343 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H](N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C1 ZINC000665252561 413980796 /nfs/dbraw/zinc/98/07/96/413980796.db2.gz SOBLRJUKXPQGLN-QBPKDAKJSA-N 2 0 273.424 1.992 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](OC)C1CCCCC1 ZINC000665283599 414020011 /nfs/dbraw/zinc/02/00/11/414020011.db2.gz QKPWXNUZCCNYLV-HUUCEWRRSA-N 2 0 272.433 1.925 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000661362410 414023813 /nfs/dbraw/zinc/02/38/13/414023813.db2.gz VANFFJCUJYMIBF-MCIONIFRSA-N 2 0 296.459 1.499 10 0 CDAERP C[NH+](C)CCN(C(=O)NCC12CC(C1)C[NH2+]2)C1CCCC1 ZINC000659618018 414026276 /nfs/dbraw/zinc/02/62/76/414026276.db2.gz YAQDNJPCMXLCHU-UHFFFAOYSA-N 2 0 294.443 1.254 10 0 CDAERP CCC[NH2+]C1CCN([C@H]2C[NH+]3CCC2CC3)CC1 ZINC000037241469 173057950 /nfs/dbraw/zinc/05/79/50/173057950.db2.gz BOJMRJMXHQCPRI-HNNXBMFYSA-N 2 0 251.418 1.545 10 0 CDAERP CCC[NH+]1CCC(C[NH3+])(N2CCC(OC)CC2)CC1 ZINC000037265947 173075306 /nfs/dbraw/zinc/07/53/06/173075306.db2.gz HVIDOAVJZZMUTN-UHFFFAOYSA-N 2 0 269.433 1.301 10 0 CDAERP C[NH+]1CCN(CC[NH2+]Cc2ccc(F)cc2)CC1 ZINC000037496732 173235820 /nfs/dbraw/zinc/23/58/20/173235820.db2.gz QPZJZDKRMYCXCY-UHFFFAOYSA-N 2 0 251.349 1.163 10 0 CDAERP CC[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCOCC2)CO1 ZINC000657312239 414153922 /nfs/dbraw/zinc/15/39/22/414153922.db2.gz GHHGEZBRYDKRNT-ZIAGYGMSSA-N 2 0 256.390 1.256 10 0 CDAERP CC[C@@H]1C[C@H]([NH2+]CCCC[NH+]2CCN(CC)CC2)CO1 ZINC000657307473 414158701 /nfs/dbraw/zinc/15/87/01/414158701.db2.gz GSBWNSCZMMAYFA-JKSUJKDBSA-N 2 0 283.460 1.561 10 0 CDAERP CN(CC[NH+](C)C)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000665363737 414114831 /nfs/dbraw/zinc/11/48/31/414114831.db2.gz BBXGULRKLKVESG-LBPRGKRZSA-N 2 0 270.421 1.062 10 0 CDAERP C[NH+](C)CCCNC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000663408914 414230317 /nfs/dbraw/zinc/23/03/17/414230317.db2.gz HXCBCYFJBPIBLS-GFCCVEGCSA-N 2 0 270.421 1.110 10 0 CDAERP CCN(CC)C(=O)[C@@H]1CCCN1C[C@@H](O)C[N@H+](C)C(C)C ZINC000659858743 414190014 /nfs/dbraw/zinc/19/00/14/414190014.db2.gz YHGIOPOHYRVZJW-GJZGRUSLSA-N 2 0 299.459 1.020 10 0 CDAERP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655806440 414199281 /nfs/dbraw/zinc/19/92/81/414199281.db2.gz VWTGPKUECVLBPQ-SCRDCRAPSA-N 2 0 262.401 1.727 10 0 CDAERP CC(C)C[C@@H]([NH3+])CN1CCO[C@H](CCC[NH+](C)C)C1 ZINC000663513104 414316089 /nfs/dbraw/zinc/31/60/89/414316089.db2.gz IGSSTSKCVSDQRR-HUUCEWRRSA-N 2 0 271.449 1.402 10 0 CDAERP CC[C@H]1C[C@@H]([NH2+]CCOCC[NH+](CC)CC)CO1 ZINC000657432519 414316736 /nfs/dbraw/zinc/31/67/36/414316736.db2.gz GNSBEGCVPBNIAW-KGLIPLIRSA-N 2 0 258.406 1.502 10 0 CDAERP C[C@@H]1C[C@@H](C[N@@H+]2CCc3c(cccc3C(N)=O)C2)CC[NH2+]1 ZINC000663512560 414318119 /nfs/dbraw/zinc/31/81/19/414318119.db2.gz GGWRMEPDIHAURL-OLZOCXBDSA-N 2 0 287.407 1.532 10 0 CDAERP NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662253322 414586673 /nfs/dbraw/zinc/58/66/73/414586673.db2.gz IXCJJMIWCCDXOD-HNNXBMFYSA-N 2 0 287.407 1.562 10 0 CDAERP Cc1ncc(C[N@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)s1 ZINC000662261087 414597214 /nfs/dbraw/zinc/59/72/14/414597214.db2.gz STTXUUYBTJWVCN-LLVKDONJSA-N 2 0 267.398 1.404 10 0 CDAERP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000662273060 414604736 /nfs/dbraw/zinc/60/47/36/414604736.db2.gz RWMDGISWZFGVBT-QXSJWSMHSA-N 2 0 293.455 1.742 10 0 CDAERP CC(C)(C)[C@H](Cn1ccnc1)[NH2+]C1CC[NH2+]CC1 ZINC000038041415 174041730 /nfs/dbraw/zinc/04/17/30/174041730.db2.gz NRUKKBWDACFPGM-ZDUSSCGKSA-N 2 0 250.390 1.639 10 0 CDAERP C[NH2+]C[C@@H]1CCCN(C2CC[NH+](C(C)C)CC2)C1 ZINC000040591880 174347636 /nfs/dbraw/zinc/34/76/36/174347636.db2.gz UKOQJWIQDAGDEE-AWEZNQCLSA-N 2 0 253.434 1.791 10 0 CDAERP CC[C@H]([NH3+])[C@@H](c1cccnc1)N(C)C1CC[NH+](C)CC1 ZINC000043345692 175017132 /nfs/dbraw/zinc/01/71/32/175017132.db2.gz VCVNRFFRUCBMTC-JKSUJKDBSA-N 2 0 276.428 1.886 10 0 CDAERP CC[C@@H]([NH3+])[C@H](c1ccncc1)N1CCC([NH+](C)C)CC1 ZINC000043353694 175020858 /nfs/dbraw/zinc/02/08/58/175020858.db2.gz YRZNFKJFXMBVBR-CVEARBPZSA-N 2 0 276.428 1.886 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCOc1nc2c(cc1C(N)=[NH2+])CCC2 ZINC000043407163 175037059 /nfs/dbraw/zinc/03/70/59/175037059.db2.gz RXXOXKIUOJWQOJ-GFCCVEGCSA-N 2 0 288.395 1.717 10 0 CDAERP CCC[NH2+][C@H]1CCCC[C@H]1N1CC[NH+](CC)CC1 ZINC000043806244 175108078 /nfs/dbraw/zinc/10/80/78/175108078.db2.gz FKQDTIZYJXCUDU-LSDHHAIUSA-N 2 0 253.434 1.935 10 0 CDAERP C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000043810452 175109779 /nfs/dbraw/zinc/10/97/79/175109779.db2.gz XFAGXJZTGBYIBF-HNNXBMFYSA-N 2 0 263.385 1.203 10 0 CDAERP C[NH2+][C@H](c1ccc(C)cc1)[C@@H](C)N1CC[NH+](C)CC1 ZINC000043810521 175109867 /nfs/dbraw/zinc/10/98/67/175109867.db2.gz OJVPKMQTCVFFKF-ZBFHGGJFSA-N 2 0 261.413 1.891 10 0 CDAERP CCC[NH2+][C@@H]1CCOC[C@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815472 175112159 /nfs/dbraw/zinc/11/21/59/175112159.db2.gz DRISCIFUQAUEMG-HUUCEWRRSA-N 2 0 269.433 1.170 10 0 CDAERP C[NH+](C)CC1CC[NH+]([C@@H]2COc3ccccc3[C@H]2O)CC1 ZINC000044169769 175148588 /nfs/dbraw/zinc/14/85/88/175148588.db2.gz RHPRRNVPXYGNRQ-NVXWUHKLSA-N 2 0 290.407 1.755 10 0 CDAERP CCC[NH+]1CCN([C@H](c2ccncc2)[C@H]([NH3+])CC)CC1 ZINC000044419066 175173551 /nfs/dbraw/zinc/17/35/51/175173551.db2.gz SVYAFANGDPXIQC-HZPDHXFCSA-N 2 0 276.428 1.888 10 0 CDAERP [NH3+]CC1CC[NH+](Cc2nc3ccccc3[nH]c2=O)CC1 ZINC000044513450 175188996 /nfs/dbraw/zinc/18/89/96/175188996.db2.gz MVVWYUAAOULBGG-UHFFFAOYSA-N 2 0 272.352 1.094 10 0 CDAERP COc1ccccc1NC(=O)CC[NH+]1CCC(C[NH3+])CC1 ZINC000044514271 175189651 /nfs/dbraw/zinc/18/96/51/175189651.db2.gz GZKOAWFVMVZAGH-UHFFFAOYSA-N 2 0 291.395 1.695 10 0 CDAERP C[C@@H]1C[NH2+][C@@H](C)CCN(C[C@@H]2CCCC[N@@H+]2C)C1 ZINC000044564229 175207253 /nfs/dbraw/zinc/20/72/53/175207253.db2.gz URQICHZHHBYKOE-ILXRZTDVSA-N 2 0 253.434 1.791 10 0 CDAERP CC[NH+]1CCC(C[NH3+])(N(C)Cc2csc(C)n2)CC1 ZINC000044608954 175215965 /nfs/dbraw/zinc/21/59/65/175215965.db2.gz IEAPUDSQHGGRGG-UHFFFAOYSA-N 2 0 282.457 1.697 10 0 CDAERP CCC[NH+]1CCC([C@@H](C)[NH2+]CCOCCOC)CC1 ZINC000044694066 175235066 /nfs/dbraw/zinc/23/50/66/175235066.db2.gz GVQLYVZFNXCTLX-CQSZACIVSA-N 2 0 272.433 1.750 10 0 CDAERP CCC[C@@H](C[NH3+])C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC000044804544 175256101 /nfs/dbraw/zinc/25/61/01/175256101.db2.gz LFIGMNVFLOGQOO-LBPRGKRZSA-N 2 0 255.406 1.304 10 0 CDAERP CCC[NH2+][C@](C)(CCC[NH+]1CCC(C)CC1)C(N)=O ZINC000045375003 175365663 /nfs/dbraw/zinc/36/56/63/175365663.db2.gz SDVWOZWCUUOOOS-OAHLLOKOSA-N 2 0 269.433 1.742 10 0 CDAERP C[NH2+][C@@](C)(CCC[N@H+]1[C@H](C)CCC[C@@H]1C)C(N)=O ZINC000045379707 175369422 /nfs/dbraw/zinc/36/94/22/175369422.db2.gz GIOBAALRJANQJR-SCRDCRAPSA-N 2 0 255.406 1.493 10 0 CDAERP C[NH2+][C@](C)(CCC[NH+](CC(C)C)CC(C)C)C(N)=O ZINC000045420420 175378659 /nfs/dbraw/zinc/37/86/59/175378659.db2.gz CTLUWVNSVQXOOR-OAHLLOKOSA-N 2 0 271.449 1.844 10 0 CDAERP CCOC(=O)[C@](C)([NH3+])CCC[N@H+](C)C[C@@H]1CCCCO1 ZINC000045421243 175379681 /nfs/dbraw/zinc/37/96/81/175379681.db2.gz CTQMSWOKZUZHBM-DZGCQCFKSA-N 2 0 286.416 1.548 10 0 CDAERP CC(C)(C)OC(=O)N1C[C@H](C[NH3+])[C@H]([NH+]2CCCCC2)C1 ZINC000058041298 175606358 /nfs/dbraw/zinc/60/63/58/175606358.db2.gz YAAFBUZCEHDXRW-QWHCGFSZSA-N 2 0 283.416 1.667 10 0 CDAERP CCC[C@@]1(C(=O)NCC(C)(C)C[NH+](C)C)CC[NH2+]C1 ZINC000062888062 175676717 /nfs/dbraw/zinc/67/67/17/175676717.db2.gz NXGFBDWVZCUDKK-OAHLLOKOSA-N 2 0 269.433 1.470 10 0 CDAERP C[NH+](C)CCN(C(=O)[C@H]1CCC[C@H]([NH3+])C1)C1CCCC1 ZINC000070576738 175992280 /nfs/dbraw/zinc/99/22/80/175992280.db2.gz ZXPXFQYJJUIQER-KBPBESRZSA-N 2 0 281.444 1.837 10 0 CDAERP CC(C)[NH2+][C@@H]1CCCN(C[C@@H](C)C[NH+]2CCCC2)C1=O ZINC000071031249 176022362 /nfs/dbraw/zinc/02/23/62/176022362.db2.gz DBGCVUFTAQXBGC-LSDHHAIUSA-N 2 0 281.444 1.707 10 0 CDAERP CCC[NH2+][C@@H]1CCCN(C[C@H](C)C[NH+]2CCCC2)C1=O ZINC000071031235 176022365 /nfs/dbraw/zinc/02/23/65/176022365.db2.gz REDHOUNHVKMSOH-HUUCEWRRSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)N1CC[C@@H]([NH2+]C(C)C)C1=O ZINC000071031972 176023165 /nfs/dbraw/zinc/02/31/65/176023165.db2.gz HXMKIWFYNDTOHZ-UONOGXRCSA-N 2 0 269.433 1.562 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)N1CCC[C@@H]([NH2+]C(C)C)C1=O ZINC000071032015 176023260 /nfs/dbraw/zinc/02/32/60/176023260.db2.gz POHSYDBXDGXRGC-HUUCEWRRSA-N 2 0 283.460 1.952 10 0 CDAERP CCC[NH2+][C@@H]1CCCN(C[C@@H]2CCC[N@H+](C)C2)C1=O ZINC000071032339 176023660 /nfs/dbraw/zinc/02/36/60/176023660.db2.gz ZJGGWWKGJMTKLI-ZIAGYGMSSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)[NH2+][C@H]1CCN(C[C@H]2CC[N@@H+](C(C)C)C2)C1=O ZINC000071035236 176024730 /nfs/dbraw/zinc/02/47/30/176024730.db2.gz DZWPDDQUELPTCS-KBPBESRZSA-N 2 0 267.417 1.316 10 0 CDAERP CC[NH2+][C@H]1CCCN([C@H](C)C[NH+](CC)CC)C1=O ZINC000071034746 176024954 /nfs/dbraw/zinc/02/49/54/176024954.db2.gz QCCJBXNZFKXADM-OLZOCXBDSA-N 2 0 255.406 1.317 10 0 CDAERP CC[NH+](CC)CCN1CCC[C@@H]([NH2+]C2CC2)C1=O ZINC000071035498 176025258 /nfs/dbraw/zinc/02/52/58/176025258.db2.gz UJWPLLIAUZZAQI-CYBMUJFWSA-N 2 0 253.390 1.071 10 0 CDAERP Cc1cc(C[N@H+](C)CCN2CC[NH2+]CC2)cc(C)c1O ZINC000071148662 176044451 /nfs/dbraw/zinc/04/44/51/176044451.db2.gz FCHFQDPNWIBWME-UHFFFAOYSA-N 2 0 277.412 1.346 10 0 CDAERP COc1ccccc1[C@@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071148884 176044711 /nfs/dbraw/zinc/04/47/11/176044711.db2.gz QMHBGVSKWOAYQR-CQSZACIVSA-N 2 0 277.412 1.593 10 0 CDAERP CCOc1ccccc1[C@@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071148865 176044837 /nfs/dbraw/zinc/04/48/37/176044837.db2.gz UTFDXCYZRIFGFQ-OAHLLOKOSA-N 2 0 291.439 1.983 10 0 CDAERP CCOc1cccc([C@H](C[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000071188351 176062904 /nfs/dbraw/zinc/06/29/04/176062904.db2.gz XCRXAOJLQYIFBC-PBHICJAKSA-N 2 0 291.439 1.969 10 0 CDAERP C[C@@H]1CCC[C@](C[NH3+])(N(C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071188578 176063461 /nfs/dbraw/zinc/06/34/61/176063461.db2.gz WOKYQHIYZKTTQN-KFWWJZLASA-N 2 0 253.434 1.778 10 0 CDAERP CC[NH2+][C@H]1CCCC[C@@H]1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188821 176063567 /nfs/dbraw/zinc/06/35/67/176063567.db2.gz DWPFUQWCSKHMGE-ILXRZTDVSA-N 2 0 253.434 1.791 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000071189590 176065584 /nfs/dbraw/zinc/06/55/84/176065584.db2.gz GQPTXAJHGTUBGO-CZUORRHYSA-N 2 0 287.407 1.111 10 0 CDAERP CC[N@@H+]1CC[C@@H](CN2CCC[C@H]([NH2+]C(C)C)C2)C1 ZINC000071199237 176077354 /nfs/dbraw/zinc/07/73/54/176077354.db2.gz ZICUVRWLMRLLMO-CABCVRRESA-N 2 0 253.434 1.791 10 0 CDAERP CC[NH+](CC)C[C@@H](C)N1CCC[C@H]([NH2+]C2CC2)C1 ZINC000071200874 176077608 /nfs/dbraw/zinc/07/76/08/176077608.db2.gz JRNAGTXBRWGXJI-HIFRSBDPSA-N 2 0 253.434 1.933 10 0 CDAERP CCC[NH2+][C@@H]1CCCN(CCC[NH+]2CCCC2)C1 ZINC000071200303 176077649 /nfs/dbraw/zinc/07/76/49/176077649.db2.gz NAKOPBVFSGXGPY-OAHLLOKOSA-N 2 0 253.434 1.936 10 0 CDAERP CCC[N@H+](CC(=O)N(C)C)Cc1ccc(F)cc1C[NH3+] ZINC000071263434 176096851 /nfs/dbraw/zinc/09/68/51/176096851.db2.gz PNOSSGQRXBOALS-UHFFFAOYSA-N 2 0 281.375 1.585 10 0 CDAERP CCCN([C@H]1CC[NH2+]C1)C1CC[NH+](C(C)C)CC1 ZINC000071314678 176120903 /nfs/dbraw/zinc/12/09/03/176120903.db2.gz RRKMGJTYQYSOPS-HNNXBMFYSA-N 2 0 253.434 1.933 10 0 CDAERP CCn1c(C[NH3+])nnc1SCC[NH+](CC)CC ZINC000071374649 176139777 /nfs/dbraw/zinc/13/97/77/176139777.db2.gz PLMXAAHRHJMAHR-UHFFFAOYSA-N 2 0 257.407 1.191 10 0 CDAERP COC[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000071905398 176296214 /nfs/dbraw/zinc/29/62/14/176296214.db2.gz MONGLGSQUFTSFX-OAGGEKHMSA-N 2 0 284.444 1.580 10 0 CDAERP C[C@H](C(=O)N(C)CCC[NH+](C)C)[NH+]1[C@H](C)CC[C@H]1C ZINC000548048169 289834864 /nfs/dbraw/zinc/83/48/64/289834864.db2.gz YJYDFLVKWSXQDG-MGPQQGTHSA-N 2 0 269.433 1.658 10 0 CDAERP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000179394194 260046004 /nfs/dbraw/zinc/04/60/04/260046004.db2.gz BOQDPENGRMGJQH-INIZCTEOSA-N 2 0 293.455 1.805 10 0 CDAERP C[NH+](C)[C@H]1CCCN(C(=O)c2ccccc2CC[NH3+])CC1 ZINC000518787696 262173074 /nfs/dbraw/zinc/17/30/74/262173074.db2.gz WPLGAJSTCJXSDS-HNNXBMFYSA-N 2 0 289.423 1.744 10 0 CDAERP COC[C@H](C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)OC ZINC000662263649 423809263 /nfs/dbraw/zinc/80/92/63/423809263.db2.gz CIINFNKBIMOUAP-RDBSUJKOSA-N 2 0 256.390 1.112 10 0 CDAERP CC(C)C[C@H](C[NH3+])NCc1nc2c(s1)C[NH2+]CC2 ZINC000663494622 423885955 /nfs/dbraw/zinc/88/59/55/423885955.db2.gz PSVPQMGQVNRRIY-SNVBAGLBSA-N 2 0 268.430 1.252 10 0 CDAERP COC[C@@H](C[N@H+](CCC[NH3+])CC1CCCC1)OC ZINC000662273543 423833698 /nfs/dbraw/zinc/83/36/98/423833698.db2.gz OEOSGSHUTCMYFJ-CQSZACIVSA-N 2 0 258.406 1.489 10 0 CDAERP CO[C@H](C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)C1CCCC1 ZINC000662274833 423837470 /nfs/dbraw/zinc/83/74/70/423837470.db2.gz XNYOZCCXOLYNFK-RRFJBIMHSA-N 2 0 252.402 1.875 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655445978 423859022 /nfs/dbraw/zinc/85/90/22/423859022.db2.gz WFFQOFKCBSJBGS-DOTOQJQBSA-N 2 0 293.455 1.614 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CC[C@@H](C)C2)CC1 ZINC000663507150 423900627 /nfs/dbraw/zinc/90/06/27/423900627.db2.gz YVAFMSUWPURDQH-UKRRQHHQSA-N 2 0 281.444 1.755 10 0 CDAERP C[NH+](C)CCC[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000662327418 423963448 /nfs/dbraw/zinc/96/34/48/423963448.db2.gz OLQOFUCMDWDZRW-HUUCEWRRSA-N 3 0 269.433 1.029 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@H](C)CC[NH3+] ZINC000652211853 424061510 /nfs/dbraw/zinc/06/15/10/424061510.db2.gz MYGZIIKIVFKNMN-GFCCVEGCSA-N 2 0 258.410 1.001 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000652215972 424069112 /nfs/dbraw/zinc/06/91/12/424069112.db2.gz FGCZCWNMSHJKNA-KGLIPLIRSA-N 2 0 284.448 1.533 10 0 CDAERP CC1(C)CCC[N@H+](CCNC(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652236332 424112004 /nfs/dbraw/zinc/11/20/04/424112004.db2.gz IEICPLNCYWACGO-UHFFFAOYSA-N 2 0 296.459 1.537 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000653109737 424273706 /nfs/dbraw/zinc/27/37/06/424273706.db2.gz LCZMBYSILJXMON-CQSZACIVSA-N 2 0 281.444 1.757 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001667054632 1173227268 /nfs/dbraw/zinc/22/72/68/1173227268.db2.gz QYVDUFWFEMEKBS-STQMWFEESA-N 2 0 273.396 1.267 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662681331 424308201 /nfs/dbraw/zinc/30/82/01/424308201.db2.gz YUUGJNDNTRBGTO-QWHCGFSZSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000660845046 424334772 /nfs/dbraw/zinc/33/47/72/424334772.db2.gz ZWSLNUQXVQYLTM-TZMCWYRMSA-N 2 0 294.443 1.395 10 0 CDAERP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cc2n(n1)CCCC2 ZINC000655746015 424365778 /nfs/dbraw/zinc/36/57/78/424365778.db2.gz KXQYXMXNDKXZNA-INIZCTEOSA-N 2 0 294.443 1.666 10 0 CDAERP CC[N@@H+]1CCCN(C(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000659621695 424417097 /nfs/dbraw/zinc/41/70/97/424417097.db2.gz JMOFMTGRLRZUHA-CYBMUJFWSA-N 2 0 270.421 1.097 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)CC1 ZINC000665289008 424497908 /nfs/dbraw/zinc/49/79/08/424497908.db2.gz CXCNBTLJXBFGME-UMVBOHGHSA-N 2 0 297.443 1.133 10 0 CDAERP COC[C@H](CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)OC ZINC000665234807 424470116 /nfs/dbraw/zinc/47/01/16/424470116.db2.gz KIWITIWFTLXUQM-YJNKXOJESA-N 2 0 270.417 1.548 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCC[NH+]3CCCC[C@H]23)C1 ZINC000655349141 424473068 /nfs/dbraw/zinc/47/30/68/424473068.db2.gz KKALKHNWGSOHRA-RBSFLKMASA-N 2 0 279.428 1.461 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000662851560 424526260 /nfs/dbraw/zinc/52/62/60/424526260.db2.gz BRFOJRUXGDGSMG-FRRDWIJNSA-N 2 0 267.417 1.350 10 0 CDAERP CC1(C)C[NH2+][C@H]1c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000647158841 424592503 /nfs/dbraw/zinc/59/25/03/424592503.db2.gz LULNJBUFEMHOJJ-NSHDSACASA-N 2 0 258.325 1.866 10 0 CDAERP CCC[NH2+]C[C@@H](CC(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001667111959 1173235929 /nfs/dbraw/zinc/23/59/29/1173235929.db2.gz IMDFYAQDCHWMPY-CQSZACIVSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)=CC[N@@H+](C)CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001667567104 1173291762 /nfs/dbraw/zinc/29/17/62/1173291762.db2.gz ZUVLEIOCFHWIKV-INIZCTEOSA-N 2 0 293.455 1.685 10 0 CDAERP C[C@H](CC(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1)[C@@H]1CCC[NH2+]C1 ZINC000515060398 270425724 /nfs/dbraw/zinc/42/57/24/270425724.db2.gz XJSFGFDMRGCZQS-IXYNUQLISA-N 2 0 281.444 1.456 10 0 CDAERP CN1C(=O)c2ccccc2[C@@H]1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000530222112 271164110 /nfs/dbraw/zinc/16/41/10/271164110.db2.gz FUQKHKALLMTNDL-JMSVASOKSA-N 2 0 273.380 1.673 10 0 CDAERP CC(C)C[C@@H]([NH3+])CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530249815 271183896 /nfs/dbraw/zinc/18/38/96/271183896.db2.gz YZQNRTRDXJNHFX-CVEARBPZSA-N 2 0 283.460 1.450 10 0 CDAERP CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001668059878 1173363437 /nfs/dbraw/zinc/36/34/37/1173363437.db2.gz KRRIVMFUFZOQCX-OLZOCXBDSA-N 2 0 255.406 1.364 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000349077429 276010384 /nfs/dbraw/zinc/01/03/84/276010384.db2.gz FBDDDVRJJHSVPZ-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CCC[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C)[NH+](C)C ZINC000120519627 276038542 /nfs/dbraw/zinc/03/85/42/276038542.db2.gz SPTVGBCIMZXQTF-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP CC1CC[NH+](CC(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)CC1 ZINC000360666455 276195517 /nfs/dbraw/zinc/19/55/17/276195517.db2.gz ZJOKRORSSGOODC-CVEARBPZSA-N 2 0 293.455 1.709 10 0 CDAERP C[NH+]1CCC(C[NH3+])(N2CCN(c3ccccc3)CC2)CC1 ZINC000019361012 277026399 /nfs/dbraw/zinc/02/63/99/277026399.db2.gz BSFDQZRAPFJXQW-UHFFFAOYSA-N 2 0 288.439 1.232 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](C)c1ncc(C)s1 ZINC000423042633 277259907 /nfs/dbraw/zinc/25/99/07/277259907.db2.gz ZVBOARFNWIYWAH-PWSUYJOCSA-N 2 0 271.430 1.899 10 0 CDAERP CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000333900506 277385217 /nfs/dbraw/zinc/38/52/17/277385217.db2.gz ISUPKWFKGHRHTF-HNNXBMFYSA-N 2 0 296.459 1.548 10 0 CDAERP C[C@@H](CC[NH2+]Cc1cncs1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001668309359 1173394544 /nfs/dbraw/zinc/39/45/44/1173394544.db2.gz HUIUETDHRCDORV-RYUDHWBXSA-N 2 0 296.440 1.079 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000055090772 278804700 /nfs/dbraw/zinc/80/47/00/278804700.db2.gz FZDRVFKDJNFPKY-STQMWFEESA-N 2 0 267.417 1.495 10 0 CDAERP CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000416937775 278868774 /nfs/dbraw/zinc/86/87/74/278868774.db2.gz JPUAUUKACBQNDW-DZGCQCFKSA-N 2 0 296.459 1.404 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000233450544 279151486 /nfs/dbraw/zinc/15/14/86/279151486.db2.gz JKZCPCRHOFCILJ-ZIAGYGMSSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418193928 279381031 /nfs/dbraw/zinc/38/10/31/279381031.db2.gz CTBHMRGCBWMIEF-WDEREUQCSA-N 2 0 292.374 1.012 10 0 CDAERP CC(C)C[C@H]([NH2+]Cc1ccn(C)c1)C(=O)NCC[NH+](C)C ZINC000128007636 279551816 /nfs/dbraw/zinc/55/18/16/279551816.db2.gz SELOTTAAHNQCDC-HNNXBMFYSA-N 2 0 294.443 1.207 10 0 CDAERP CC[C@@H](NC[C@@H]1CCC[N@@H+]1CCOC)[C@@H]1CCC[NH2+]1 ZINC000422710586 280189416 /nfs/dbraw/zinc/18/94/16/280189416.db2.gz LNKKUSNAVXGHCM-ZNMIVQPWSA-N 2 0 269.433 1.217 10 0 CDAERP CC[C@H]1C[C@H](C[NH2+]CC2(COC)CC[NH2+]CC2)CCO1 ZINC000414976216 281237677 /nfs/dbraw/zinc/23/76/77/281237677.db2.gz PBKDBIKRVZWPDU-CABCVRRESA-N 2 0 284.444 1.797 10 0 CDAERP CCN(CC[NH2+]C[C@H](C)OC)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001668652232 1173435431 /nfs/dbraw/zinc/43/54/31/1173435431.db2.gz JXANSTMZSAGKPQ-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP C[NH+](C)C(C)(C)CNC(=O)CC1CC[NH+](C)CC1 ZINC000362460901 289035419 /nfs/dbraw/zinc/03/54/19/289035419.db2.gz PAAHOVGVMMTOQH-UHFFFAOYSA-N 2 0 255.406 1.175 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)C[NH+]2[C@@H](C)C[C@@H]2C)CC1 ZINC000547769980 289805606 /nfs/dbraw/zinc/80/56/06/289805606.db2.gz KXBYMZVHAZZNQW-STQMWFEESA-N 2 0 267.417 1.458 10 0 CDAERP C[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H]2[NH3+])(N2CCCCC2)CC1 ZINC000422796390 289880166 /nfs/dbraw/zinc/88/01/66/289880166.db2.gz YJWDYIFXTCGOEH-HOTGVXAUSA-N 3 0 294.487 1.406 10 0 CDAERP C[N@@H+]1CCN(C[C@@]2(C)CC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000226894053 290046229 /nfs/dbraw/zinc/04/62/29/290046229.db2.gz NEPIJANKIDIFPY-IRXDYDNUSA-N 2 0 273.424 1.975 10 0 CDAERP Cc1n[nH]c(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)n1 ZINC000552280381 290063839 /nfs/dbraw/zinc/06/38/39/290063839.db2.gz FOWSWQRZVUGBFH-UPJWGTAASA-N 2 0 263.389 1.118 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000562814626 293203604 /nfs/dbraw/zinc/20/36/04/293203604.db2.gz OLKASDOSEWUMSL-OFQRWUPVSA-N 2 0 294.443 1.289 10 0 CDAERP COC[C@](C)(O)CC[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000449383485 293261295 /nfs/dbraw/zinc/26/12/95/293261295.db2.gz HQJIYUIAMRRQME-OAHLLOKOSA-N 2 0 272.433 1.626 10 0 CDAERP C[NH2+]C1CCN(C(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000563101122 293275132 /nfs/dbraw/zinc/27/51/32/293275132.db2.gz XGTCSIFJDQRJMT-STQMWFEESA-N 2 0 267.417 1.223 10 0 CDAERP c1cnc(N[C@@H]2CC[N@@H+](CCC3CC[NH2+]CC3)C2)nc1 ZINC000563154853 293292698 /nfs/dbraw/zinc/29/26/98/293292698.db2.gz YKXQYIJSSPTREE-CQSZACIVSA-N 2 0 275.400 1.353 10 0 CDAERP CC(C)[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000563205443 293310370 /nfs/dbraw/zinc/31/03/70/293310370.db2.gz GBEOSARIVITFEH-OAGGEKHMSA-N 2 0 293.455 1.850 10 0 CDAERP COCc1cccc(C[NH2+][C@H](CCC[NH3+])COC)c1 ZINC000234731482 293311269 /nfs/dbraw/zinc/31/12/69/293311269.db2.gz NFMMZDQBZZHMJA-OAHLLOKOSA-N 2 0 266.385 1.677 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000568392201 294027174 /nfs/dbraw/zinc/02/71/74/294027174.db2.gz LEONUFUZSKPTCT-DOMZBBRYSA-N 2 0 275.396 1.476 10 0 CDAERP C[C@H]1C[C@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C[C@@H](C)C1 ZINC000568751087 294093740 /nfs/dbraw/zinc/09/37/40/294093740.db2.gz XRCBOTZUVYMSHM-JJXSEGSLSA-N 2 0 283.460 1.009 10 0 CDAERP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CC1(O)Cc2ccccc2C1 ZINC000570709428 294293578 /nfs/dbraw/zinc/29/35/78/294293578.db2.gz XNUUMXAXYSWPEE-CVEARBPZSA-N 2 0 274.408 1.766 10 0 CDAERP C[NH2+][C@H](C)Cc1noc([C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)n1 ZINC000574571824 295020915 /nfs/dbraw/zinc/02/09/15/295020915.db2.gz PUDSDKRYBJLHCK-WYUUTHIRSA-N 2 0 264.373 1.813 10 0 CDAERP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CC1(CF)CCOCC1 ZINC000423146893 295268368 /nfs/dbraw/zinc/26/83/68/295268368.db2.gz BOYRIIYPBHISMA-CHWSQXEVSA-N 2 0 258.381 1.860 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1CC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000261812533 295315249 /nfs/dbraw/zinc/31/52/49/295315249.db2.gz SAKVTPSEFMUFRK-KCQAQPDRSA-N 2 0 279.428 1.637 10 0 CDAERP [NH3+][C@H](CC1CCCCC1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000261800727 295330098 /nfs/dbraw/zinc/33/00/98/295330098.db2.gz RJYNSBPLTSOVHJ-HUUCEWRRSA-N 2 0 279.428 1.591 10 0 CDAERP C[C@@]1(C(=O)NC2CC([NH+]3CCCCC3)C2)CC[NH2+]C1 ZINC000335481310 297867038 /nfs/dbraw/zinc/86/70/38/297867038.db2.gz VNMMUTJBZSBUEI-SSDMNJCBSA-N 2 0 265.401 1.119 10 0 CDAERP C[C@H](C(=O)N1CCC2(CC[NH2+]2)CC1)[NH+]1CCCCCC1 ZINC000335605452 298010501 /nfs/dbraw/zinc/01/05/01/298010501.db2.gz RRMXLICPEMDOSO-CQSZACIVSA-N 2 0 279.428 1.605 10 0 CDAERP C[C@H](CCCC[NH3+])NC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000417818147 298389919 /nfs/dbraw/zinc/38/99/19/298389919.db2.gz ALOILTDYOYMERK-NEPJUHHUSA-N 2 0 255.406 1.398 10 0 CDAERP C[C@H]1[NH2+]CCC[C@H]1NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262326711 300575626 /nfs/dbraw/zinc/57/56/26/300575626.db2.gz GCMONNWUIWZIKM-QVHKTLOISA-N 2 0 265.401 1.023 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000261642935 303425450 /nfs/dbraw/zinc/42/54/50/303425450.db2.gz AVOZIMKFGLMYRR-QLFBSQMISA-N 2 0 279.428 1.210 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]CCF ZINC001670271560 1173668006 /nfs/dbraw/zinc/66/80/06/1173668006.db2.gz OFWHHZCZOQCZGP-CQSZACIVSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)CC[NH2+]C[C@]1(C)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001671810380 1173714381 /nfs/dbraw/zinc/71/43/81/1173714381.db2.gz PCJQZHFSBQZYTR-KRWDZBQOSA-N 2 0 295.471 1.957 10 0 CDAERP C[NH2+]C1CCN(C(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000179137341 315970198 /nfs/dbraw/zinc/97/01/98/315970198.db2.gz AVMNOPDZGSBVBJ-SWLSCSKDSA-N 2 0 275.396 1.533 10 0 CDAERP CC(C)[NH2+]CCCNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000583133882 325112686 /nfs/dbraw/zinc/11/26/86/325112686.db2.gz WHYOZFPRBDYAFZ-UHFFFAOYSA-N 2 0 296.459 1.691 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CC3CCC2(C[NH3+])CC3)CC[NH2+]1 ZINC000583571967 325201678 /nfs/dbraw/zinc/20/16/78/325201678.db2.gz IYZVAWWOKDMSND-SDFYHXNISA-N 2 0 265.401 1.104 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000583872028 325256715 /nfs/dbraw/zinc/25/67/15/325256715.db2.gz MFJRYRBKZWJIHY-VXGBXAGGSA-N 3 0 273.384 1.791 10 0 CDAERP Cn1nc2c(c1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)CCCC2 ZINC000584123660 327045955 /nfs/dbraw/zinc/04/59/55/327045955.db2.gz DNAVXYKLXDUTLX-VXGBXAGGSA-N 2 0 262.401 1.658 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000584238844 327093143 /nfs/dbraw/zinc/09/31/43/327093143.db2.gz BVUWIHXGCOCMEL-CYBMUJFWSA-N 2 0 275.396 1.389 10 0 CDAERP CCN(CC[NH2+]CC[C@@H](C)F)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001699213749 1159334454 /nfs/dbraw/zinc/33/44/54/1159334454.db2.gz AMKNPJJWEIRUOA-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP CCC[N@H+](C)C[C@H](C)NC(=O)CC[C@H]1CCC[NH+]1C ZINC001699454324 1176419512 /nfs/dbraw/zinc/41/95/12/1176419512.db2.gz ORUGZIXLXOJLOZ-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)[NH2+][C@@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001714244262 1159756216 /nfs/dbraw/zinc/75/62/16/1159756216.db2.gz QPHQDLXVYCHRBB-STQMWFEESA-N 2 0 255.406 1.364 10 0 CDAERP CCN(CC[NH2+]CCF)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001268474040 1159952868 /nfs/dbraw/zinc/95/28/68/1159952868.db2.gz LEDHZVQKDPXRDY-STQMWFEESA-N 2 0 273.396 1.124 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001670797265 1159984732 /nfs/dbraw/zinc/98/47/32/1159984732.db2.gz CHXIZXOQSVBCIF-UHFFFAOYSA-N 2 0 267.417 1.509 10 0 CDAERP CC(C)COCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001270922214 1160230555 /nfs/dbraw/zinc/23/05/55/1160230555.db2.gz SGCQQUAWKUYWMD-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP O[C@H]1CC[N@@H+](C2CC[NH+](C[C@H]3CCSC3)CC2)C1 ZINC000668739869 482222618 /nfs/dbraw/zinc/22/26/18/482222618.db2.gz OZFHGNAADJESKS-OCCSQVGLSA-N 2 0 270.442 1.271 10 0 CDAERP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CO[C@@H](C3CC3)C2)C1 ZINC000668236377 482224428 /nfs/dbraw/zinc/22/44/28/482224428.db2.gz JHTWBUQQJSZACU-VHDGCEQUSA-N 2 0 252.402 1.875 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000246209696 482285245 /nfs/dbraw/zinc/28/52/45/482285245.db2.gz FTAZDMCNEWTPIZ-CFVMTHIKSA-N 2 0 273.380 1.117 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)c2ncnn21 ZINC000668469336 482448658 /nfs/dbraw/zinc/44/86/58/482448658.db2.gz UTQSUGTULBBVAE-IUODEOHRSA-N 2 0 298.394 1.938 10 0 CDAERP NC(=O)C[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)C1CCCC1 ZINC000652337030 482462509 /nfs/dbraw/zinc/46/25/09/482462509.db2.gz BLUCHTXIXSMQQL-UHFFFAOYSA-N 2 0 287.407 1.562 10 0 CDAERP O[C@@H]1C[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C12CCC2 ZINC000668622902 482492699 /nfs/dbraw/zinc/49/26/99/482492699.db2.gz GCTGWKDEOCNKFA-JKSUJKDBSA-N 2 0 287.407 1.944 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000669514596 482535916 /nfs/dbraw/zinc/53/59/16/482535916.db2.gz SCOWTPHYFJPBLX-NWDGAFQWSA-N 2 0 253.390 1.023 10 0 CDAERP C[NH+](C)C[C@H](NC(=O)C[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000054308676 482550874 /nfs/dbraw/zinc/55/08/74/482550874.db2.gz FCKFPRRZVDAOPO-ZBFHGGJFSA-N 2 0 289.423 1.795 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)CC1([NH3+])CCC1 ZINC000164991381 482557637 /nfs/dbraw/zinc/55/76/37/482557637.db2.gz OIYYLFVKBKKYBD-GFCCVEGCSA-N 2 0 253.390 1.249 10 0 CDAERP CO[C@H]1CCC[C@@H]([NH2+]CCCC[NH+]2CCN(C)CC2)C1 ZINC000684368882 482776755 /nfs/dbraw/zinc/77/67/55/482776755.db2.gz FUTFMWFEOQIVGK-CVEARBPZSA-N 2 0 283.460 1.561 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000673703346 482822118 /nfs/dbraw/zinc/82/21/18/482822118.db2.gz OUJZKITWFYSZCI-HUUCEWRRSA-N 2 0 294.443 1.208 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)CN1C[C@H]2CCCC[NH+]2C[C@@H]1C ZINC000380714754 482870817 /nfs/dbraw/zinc/87/08/17/482870817.db2.gz PXIDZIZQYUBUKC-XHSDSOJGSA-N 2 0 283.460 1.246 10 0 CDAERP CNC(=O)[C@H](C)C[N@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667692380 482904397 /nfs/dbraw/zinc/90/43/97/482904397.db2.gz FYDBYQNCRXNFGQ-GFCCVEGCSA-N 2 0 287.367 1.081 10 0 CDAERP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1C[C@H]1C ZINC000666089950 482905690 /nfs/dbraw/zinc/90/56/90/482905690.db2.gz BPBDSGZMBICENF-CTASWTNQSA-N 2 0 265.445 1.789 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C[N@@H+]1C1CC1 ZINC000261825248 482933670 /nfs/dbraw/zinc/93/36/70/482933670.db2.gz OIPKKGDIPVLHAS-NRWUCQMLSA-N 2 0 265.401 1.103 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261886291 482944103 /nfs/dbraw/zinc/94/41/03/482944103.db2.gz ZTGBIOUOGUZDLI-MELADBBJSA-N 2 0 267.417 1.495 10 0 CDAERP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cn3cccc(F)c3n2)C1 ZINC000666963140 483023077 /nfs/dbraw/zinc/02/30/77/483023077.db2.gz XBPNSFJFFYRODD-QWRGUYRKSA-N 2 0 262.332 1.690 10 0 CDAERP [NH3+][C@H]1CCC[C@@H]([NH2+]CCN2C(=O)c3ccccc3C2=O)C1 ZINC000414923240 483294351 /nfs/dbraw/zinc/29/43/51/483294351.db2.gz IBKDTFTVHKCLKQ-NWDGAFQWSA-N 2 0 287.363 1.142 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(OCCCO)CC1 ZINC000675501701 483321617 /nfs/dbraw/zinc/32/16/17/483321617.db2.gz FWIKBKXHFUVKSO-OAHLLOKOSA-N 2 0 284.444 1.724 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(C)C2)[C@H](C)C1 ZINC000675767744 483364030 /nfs/dbraw/zinc/36/40/30/483364030.db2.gz UKUCHPRDOPJGJU-ZACQAIPSSA-N 2 0 297.487 1.807 10 0 CDAERP C[C@H](O)CC[N@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667649325 483364484 /nfs/dbraw/zinc/36/44/84/483364484.db2.gz PWSFOXBITOLRKJ-LBPRGKRZSA-N 2 0 260.341 1.470 10 0 CDAERP C[NH+](C)C1CCN(CC[NH2+][C@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667935200 483484525 /nfs/dbraw/zinc/48/45/25/483484525.db2.gz GOHDEAJFSDVXRL-ZBFHGGJFSA-N 2 0 281.444 1.170 10 0 CDAERP CC(C)C[N@H+](C)CCOCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001691606716 1160716498 /nfs/dbraw/zinc/71/64/98/1160716498.db2.gz PNWNZSJIRXYQPZ-HNNXBMFYSA-N 2 0 299.459 1.001 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001409352691 1160818353 /nfs/dbraw/zinc/81/83/53/1160818353.db2.gz HKDREUKNLWXAME-UONOGXRCSA-N 2 0 283.460 2.000 10 0 CDAERP CC(C)[NH2+]Cc1occc1CN1CC[NH+](C)CC1 ZINC000052379354 519730301 /nfs/dbraw/zinc/73/03/01/519730301.db2.gz ZRJZLFVETNHFOK-UHFFFAOYSA-N 2 0 251.374 1.525 10 0 CDAERP CC[C@@H](C)C[N@H+](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001483348271 1160909015 /nfs/dbraw/zinc/90/90/15/1160909015.db2.gz WIXKRIDOTLDEIW-KGLIPLIRSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000049220591 519814244 /nfs/dbraw/zinc/81/42/44/519814244.db2.gz YSJKNGGFYREOCH-GJZGRUSLSA-N 2 0 277.412 1.259 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)NCC1CC[NH+](CC)CC1 ZINC000061299192 519905073 /nfs/dbraw/zinc/90/50/73/519905073.db2.gz WOMDQGPHUHCVAD-UHFFFAOYSA-N 2 0 255.406 1.223 10 0 CDAERP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C[C@@H](C)[NH+](C)C ZINC000054602621 519910297 /nfs/dbraw/zinc/91/02/97/519910297.db2.gz BIBBGPSWSMJGMM-FFHGMXDLSA-N 2 0 253.434 1.932 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000061267224 519936379 /nfs/dbraw/zinc/93/63/79/519936379.db2.gz ITORSEPEPYFUHY-OLZOCXBDSA-N 2 0 257.422 1.325 10 0 CDAERP CC[NH2+]Cc1cc(C)nc(CC[NH+](CC)CC)n1 ZINC000054831205 519988031 /nfs/dbraw/zinc/98/80/31/519988031.db2.gz RVMPSWBDCHQKLV-UHFFFAOYSA-N 2 0 250.390 1.779 10 0 CDAERP CC[NH2+]Cc1cnc(N(C)[C@H]2CCC[N@H+](C)C2)s1 ZINC000054905565 520016211 /nfs/dbraw/zinc/01/62/11/520016211.db2.gz HNSMRIJGQZSXQN-NSHDSACASA-N 2 0 268.430 1.783 10 0 CDAERP CC[NH2+]Cc1nc(CN2CCC[N@H+](C)CC2)cs1 ZINC000052424028 520021768 /nfs/dbraw/zinc/02/17/68/520021768.db2.gz OTJILWYSYZLDEU-UHFFFAOYSA-N 2 0 268.430 1.390 10 0 CDAERP CC[NH2+][C@@](C)(CCCC[N@@H+]1CCC[C@@H]1CN(C)C)C(N)=O ZINC000061653053 520130183 /nfs/dbraw/zinc/13/01/83/520130183.db2.gz OVTMMJZDWPXNDP-ZBFHGGJFSA-N 2 0 298.475 1.036 10 0 CDAERP CCO[C@H](C[NH3+])CC[N@H+](C)Cc1ccccc1OC ZINC000062741012 520516291 /nfs/dbraw/zinc/51/62/91/520516291.db2.gz XIEVKIJOHNTJGB-AWEZNQCLSA-N 2 0 266.385 1.881 10 0 CDAERP CC[NH+](CC)CCc1nc(C)c(CC[NH2+]C)c(C)n1 ZINC000054838012 520711481 /nfs/dbraw/zinc/71/14/81/520711481.db2.gz HIVUROGUMUZWCP-UHFFFAOYSA-N 2 0 264.417 1.740 10 0 CDAERP C[C@H](CCC[NH2+]C/C=C\Cl)NC(=O)C[NH+]1CCCC1 ZINC001485748876 1161283139 /nfs/dbraw/zinc/28/31/39/1161283139.db2.gz PRBYCGVBHJVEGZ-SCXUMTSISA-N 2 0 287.835 1.709 10 0 CDAERP C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1[NH2+]CCCF ZINC001673911195 1161405857 /nfs/dbraw/zinc/40/58/57/1161405857.db2.gz KVDKVCJDLWBYQE-GJZGRUSLSA-N 2 0 299.434 1.514 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)[C@@H]2[C@@H](C)CCC[C@@H]2[NH3+])CC1 ZINC000055129401 521556679 /nfs/dbraw/zinc/55/66/79/521556679.db2.gz YRLTVEYVCWBUPY-AEGPPILISA-N 2 0 281.444 1.693 10 0 CDAERP CCOCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001671280813 1161497750 /nfs/dbraw/zinc/49/77/50/1161497750.db2.gz HKGWKGQTASYCAQ-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP C[NH+](C)CCN1CC[NH+](C[C@H]2CCCCCC2=O)CC1 ZINC000061653431 521764062 /nfs/dbraw/zinc/76/40/62/521764062.db2.gz WFYIHUAKPWIKFL-OAHLLOKOSA-N 2 0 281.444 1.315 10 0 CDAERP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCCF ZINC001715729133 1179781866 /nfs/dbraw/zinc/78/18/66/1179781866.db2.gz MOQCSHQXSYTJFX-OLZOCXBDSA-N 2 0 273.396 1.028 10 0 CDAERP C[NH2+]Cc1cc(CN2CCC[N@H+](C)CC2)oc1C ZINC000052424179 522106448 /nfs/dbraw/zinc/10/64/48/522106448.db2.gz FORHIBZHOVYDOD-UHFFFAOYSA-N 2 0 251.374 1.445 10 0 CDAERP C[NH2+]Cc1cccc(C[N@H+](C)Cc2cnn(C)c2)c1 ZINC000052570316 522128579 /nfs/dbraw/zinc/12/85/79/522128579.db2.gz BRPYESVMKVMRDS-UHFFFAOYSA-N 2 0 258.369 1.772 10 0 CDAERP CCc1nc(N2CCC[C@H]2C[NH+](C)C)sc1C[NH3+] ZINC000061655582 522384722 /nfs/dbraw/zinc/38/47/22/522384722.db2.gz RCJPKPSXSUBHQB-JTQLQIEISA-N 2 0 268.430 1.695 10 0 CDAERP CC[C@@H](C[NH2+]C1CC1)N1CCC(C[NH+](C)C)CC1 ZINC000052515230 522545244 /nfs/dbraw/zinc/54/52/44/522545244.db2.gz LYOHMKZZFCRBAG-HNNXBMFYSA-N 2 0 253.434 1.791 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001771779851 1161957557 /nfs/dbraw/zinc/95/75/57/1161957557.db2.gz VIYMQFPIUGXBSW-UONOGXRCSA-N 2 0 282.432 1.240 10 0 CDAERP Cc1ncsc1C[NH2+]CCCN(C)C(=O)CC[NH+](C)C ZINC001733123970 1183298658 /nfs/dbraw/zinc/29/86/58/1183298658.db2.gz PTCGEOYULMILQX-UHFFFAOYSA-N 2 0 298.456 1.341 10 0 CDAERP C1CN([C@@H]2CCCC[NH2+]C2)C[C@H]1[NH+]1CCCCC1 ZINC000062974708 518580230 /nfs/dbraw/zinc/58/02/30/518580230.db2.gz LQWRVKDPNUMWMH-CABCVRRESA-N 2 0 251.418 1.689 10 0 CDAERP CC(C)(C)[NH2+]CC1(C[N@@H+]2CC[C@@H](O)C2)CCOCC1 ZINC000061712123 518753853 /nfs/dbraw/zinc/75/38/53/518753853.db2.gz BBSPVEFHMKRUSW-CYBMUJFWSA-N 2 0 270.417 1.238 10 0 CDAERP CC(C)CN(CC[NH+](C)C)c1ccnc(C(N)=S)c1 ZINC000061813155 519716671 /nfs/dbraw/zinc/71/66/71/519716671.db2.gz PRLIKDBPJRVLEL-UHFFFAOYSA-N 2 0 280.441 1.740 10 0 CDAERP CC(C)CN(CC[NH+](C)C)Cc1ccoc1C[NH3+] ZINC000052503335 519716974 /nfs/dbraw/zinc/71/69/74/519716974.db2.gz YMFADCUKDYCPIY-UHFFFAOYSA-N 2 0 253.390 1.758 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)[C@@H]2[NH2+]CCC[C@H]2C)CC1 ZINC000055082586 519724736 /nfs/dbraw/zinc/72/47/36/519724736.db2.gz WNHBSFCOTQHNMP-ZIAGYGMSSA-N 2 0 267.417 1.175 10 0 CDAERP CC(C)[NH2+][C@@](C)(C[C@@H](C)N(C)C1CC[NH+](C)CC1)C(N)=O ZINC000068621373 519736023 /nfs/dbraw/zinc/73/60/23/519736023.db2.gz HULZXVZPNVYDFT-CJNGLKHVSA-N 2 0 298.475 1.033 10 0 CDAERP CC(C)[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]C1)[NH+]1CCCC1 ZINC000054308738 519794373 /nfs/dbraw/zinc/79/43/73/519794373.db2.gz BQAHKXYKDLWGFP-LSDHHAIUSA-N 2 0 281.444 1.613 10 0 CDAERP CCC1(C[NH2+][C@@H]2CCN(C3CC3)C2)CC[NH2+]CC1 ZINC000062851059 519843231 /nfs/dbraw/zinc/84/32/31/519843231.db2.gz FNXZRZWTNXRZEA-CYBMUJFWSA-N 2 0 251.418 1.593 10 0 CDAERP CCC[NH+]1CCN(C(=O)[C@@H]2CCC[C@H](C[NH3+])C2)CC1 ZINC000055146070 519856524 /nfs/dbraw/zinc/85/65/24/519856524.db2.gz SVYWAZVOJJWKKZ-UONOGXRCSA-N 2 0 267.417 1.306 10 0 CDAERP CC[NH2+]CC1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000068890152 519914783 /nfs/dbraw/zinc/91/47/83/519914783.db2.gz PSSRAZLFAWLGLW-SNVBAGLBSA-N 2 0 254.296 1.231 10 0 CDAERP CCC[NH2+]Cc1nccn1CCC[NH+]1CCCC1 ZINC000051005120 519967339 /nfs/dbraw/zinc/96/73/39/519967339.db2.gz YLJNYMLFGCWXRH-UHFFFAOYSA-N 2 0 250.390 1.869 10 0 CDAERP CC[NH2+]C[C@H](c1ccccc1)N1CC[NH+](CC)CC1 ZINC000052422554 519975719 /nfs/dbraw/zinc/97/57/19/519975719.db2.gz AVHVQWFSMPRUMT-MRXNPFEDSA-N 2 0 261.413 1.975 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@@H](CN2CC[NH+](C3CCCC3)CC2)O1 ZINC000052573549 519979339 /nfs/dbraw/zinc/97/93/39/519979339.db2.gz PQMQGUDRNYWOBT-SJORKVTESA-N 2 0 295.471 1.704 10 0 CDAERP CCC[NH2+][C@@H](CN(C)C1CC[NH+](C)CC1)C1CC1 ZINC000069073543 520006211 /nfs/dbraw/zinc/00/62/11/520006211.db2.gz SNYRTMWOWLYEFR-HNNXBMFYSA-N 2 0 253.434 1.791 10 0 CDAERP CCC[NH2+][C@@](C)(CCN1CC[C@H]([NH+](CC)CC)C1)C(N)=O ZINC000062968953 520037452 /nfs/dbraw/zinc/03/74/52/520037452.db2.gz UVPBOJQZHNRYDF-HOCLYGCPSA-N 2 0 298.475 1.036 10 0 CDAERP CC[NH2+][C@@H](C)C1CC[NH+](C[C@@H](O)COCC)CC1 ZINC000069274293 520060210 /nfs/dbraw/zinc/06/02/10/520060210.db2.gz VZTFFEBAAYZBAJ-GXTWGEPZSA-N 2 0 258.406 1.094 10 0 CDAERP CC[NH2+][C@@](C)(CCC[N@H+](C)CC(C)(C)C)C(N)=O ZINC000045423857 520129654 /nfs/dbraw/zinc/12/96/54/520129654.db2.gz ZOFYUEPAFNABSZ-AWEZNQCLSA-N 2 0 257.422 1.598 10 0 CDAERP CC[NH2+][C@@](C)(C[C@@H](C)N1CC[NH+](C(C)(C)C)CC1)C(N)=O ZINC000068636447 520139730 /nfs/dbraw/zinc/13/97/30/520139730.db2.gz DHXXLZFCLIEGCK-CJNGLKHVSA-N 2 0 298.475 1.035 10 0 CDAERP CCOC[C@H](O)C[NH+]1CCC(C[NH2+]C(C)C)CC1 ZINC000069280293 520154993 /nfs/dbraw/zinc/15/49/93/520154993.db2.gz JCCQSOOVNDQCKH-CQSZACIVSA-N 2 0 258.406 1.094 10 0 CDAERP CC[NH2+][C@](C)(C[C@@H](C)N1CC[C@H]([NH+](CC)CC)C1)C(N)=O ZINC000068645623 520235104 /nfs/dbraw/zinc/23/51/04/520235104.db2.gz XQGZPGORIUNNID-IJEWVQPXSA-N 2 0 298.475 1.035 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)COc1ccc(C[NH3+])cc1 ZINC000045663170 520730077 /nfs/dbraw/zinc/73/00/77/520730077.db2.gz LZVJSTUOHSIBGL-ZDUSSCGKSA-N 2 0 293.411 1.371 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NCC[NH+]1CCC(C)CC1 ZINC000337326223 520853695 /nfs/dbraw/zinc/85/36/95/520853695.db2.gz OWLNMXNXDAEUBG-OAHLLOKOSA-N 2 0 298.475 1.748 10 0 CDAERP CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)[NH2+]C)c1ccccc1 ZINC000054071541 520864126 /nfs/dbraw/zinc/86/41/26/520864126.db2.gz POHQALDJGWHITO-UKRRQHHQSA-N 2 0 277.412 1.794 10 0 CDAERP CCC[C@H]([NH2+]C)[C@@H](CC)N1CCN(CC[NH+](C)C)CC1 ZINC000061643993 521154331 /nfs/dbraw/zinc/15/43/31/521154331.db2.gz MISMKVGADYEVDS-JKSUJKDBSA-N 2 0 284.492 1.332 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@H]2[C@@H](C)CCC[C@@H]2[NH3+])CC1 ZINC000055140070 521551115 /nfs/dbraw/zinc/55/11/15/521551115.db2.gz DONPGZZTVCCOMI-QEJZJMRPSA-N 2 0 281.444 1.598 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@@H]([NH3+])[C@@H]2C)CC1 ZINC000055129378 521555642 /nfs/dbraw/zinc/55/56/42/521555642.db2.gz MLFQVMUTUPKPKS-VHDGCEQUSA-N 2 0 281.444 1.693 10 0 CDAERP CC[NH+]1CCC(N(C)Cc2cc(C[NH3+])no2)CC1 ZINC000052544019 521564287 /nfs/dbraw/zinc/56/42/87/521564287.db2.gz OLBRMMVSLUSAHW-UHFFFAOYSA-N 2 0 252.362 1.049 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)CC[C@@H]2CCCC[NH2+]2)C1 ZINC000050949655 521643511 /nfs/dbraw/zinc/64/35/11/521643511.db2.gz FOAJJEXLCZTIFJ-KBPBESRZSA-N 2 0 267.417 1.509 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1Cc1ccc(C[NH3+])cc1F ZINC000061642639 521841359 /nfs/dbraw/zinc/84/13/59/521841359.db2.gz DJTUFWKJCRDRMT-AWEZNQCLSA-N 2 0 265.376 1.810 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1CC[NH2+]C(C1CC1)C1CC1 ZINC000061655195 521868243 /nfs/dbraw/zinc/86/82/43/521868243.db2.gz ZBJQZSNAKIVHGG-OAHLLOKOSA-N 2 0 265.445 1.791 10 0 CDAERP C[NH+](C)Cc1ccc(C(=O)N2CCC[C@H]([NH+](C)C)C2)cn1 ZINC000339270127 521896662 /nfs/dbraw/zinc/89/66/62/521896662.db2.gz GGERSRLSEGMWIQ-HNNXBMFYSA-N 2 0 290.411 1.309 10 0 CDAERP C[NH2+]C[C@H](c1ccccc1)N1CCN(CC[NH+](C)C)CC1 ZINC000061654912 522078659 /nfs/dbraw/zinc/07/86/59/522078659.db2.gz AXPACEZIHSODKR-QGZVFWFLSA-N 2 0 290.455 1.126 10 0 CDAERP C[NH2+]Cc1c(N2CCC[C@@H]2C[NH+](C)C)nc2sccn12 ZINC000061646080 522101395 /nfs/dbraw/zinc/10/13/95/522101395.db2.gz KUIODGBGWGXKDL-LLVKDONJSA-N 2 0 293.440 1.646 10 0 CDAERP C[NH2+]Cc1ccc(C[N@H+](CCCOC)CCOC)cc1 ZINC000052543295 522117237 /nfs/dbraw/zinc/11/72/37/522117237.db2.gz ZRUOHOOOFNZXHU-UHFFFAOYSA-N 2 0 280.412 1.891 10 0 CDAERP CC[C@H](C[NH2+]C1CC1)N(C)C1CC[NH+](CC)CC1 ZINC000052543962 522192068 /nfs/dbraw/zinc/19/20/68/522192068.db2.gz ICRGZWFBIAZMSK-CQSZACIVSA-N 2 0 253.434 1.933 10 0 CDAERP Cn1cc(C[N@H+](C)CCC[C@@H]2CCCC[NH2+]2)cn1 ZINC000050953326 522787218 /nfs/dbraw/zinc/78/72/18/522787218.db2.gz TUMZORMZGXAFMN-AWEZNQCLSA-N 2 0 250.390 1.774 10 0 CDAERP COCCC[N@H+](CCOC)C[C@@H](C)C[NH2+]CC(C)C ZINC000052543224 523254134 /nfs/dbraw/zinc/25/41/34/523254134.db2.gz ITQSHHMBAKMVRS-HNNXBMFYSA-N 2 0 274.449 1.853 10 0 CDAERP COCCC[N@H+](CCOC)Cc1cc(C[NH3+])oc1C ZINC000052543261 523256372 /nfs/dbraw/zinc/25/63/72/523256372.db2.gz VSLLCFZSBOBXSJ-UHFFFAOYSA-N 2 0 270.373 1.532 10 0 CDAERP COCC[N@H+](C)CCNC(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000061400670 523596552 /nfs/dbraw/zinc/59/65/52/523596552.db2.gz FXVPPRNUMZGHEN-GFCCVEGCSA-N 2 0 294.399 1.406 10 0 CDAERP COCC[NH+](CCOC)[C@@H](CC[NH3+])c1ccccc1 ZINC000055016107 523723843 /nfs/dbraw/zinc/72/38/43/523723843.db2.gz QOOOYOBOJARLSJ-HNNXBMFYSA-N 2 0 266.385 1.671 10 0 CDAERP C[NH+]1CCC(CNC(=O)CC[C@@H]2CCCC[NH2+]2)CC1 ZINC000050951708 523760966 /nfs/dbraw/zinc/76/09/66/523760966.db2.gz CPXQDFXTFJBNCI-AWEZNQCLSA-N 2 0 267.417 1.367 10 0 CDAERP C[NH+]1CCC(C[NH2+]CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000052206126 523764744 /nfs/dbraw/zinc/76/47/44/523764744.db2.gz ULMJAPGNTAMWRL-OAHLLOKOSA-N 3 0 253.434 1.792 10 0 CDAERP C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000055146966 523775665 /nfs/dbraw/zinc/77/56/65/523775665.db2.gz REKRILJEDMRMFB-QWHCGFSZSA-N 2 0 267.417 1.352 10 0 CDAERP COCC[N@H+]([C@@H](C)CC[NH2+]C1CC1)[C@@H](C)COC ZINC000052572461 523781323 /nfs/dbraw/zinc/78/13/23/523781323.db2.gz ZFISUCDDOQWNFD-STQMWFEESA-N 2 0 258.406 1.500 10 0 CDAERP CN(C(=O)CCC1CCC([NH3+])CC1)[C@@H]1CCC[N@H+](C)C1 ZINC000055131594 523796556 /nfs/dbraw/zinc/79/65/56/523796556.db2.gz BSXLKLHGOZYLGC-YMAMQOFZSA-N 2 0 281.444 1.837 10 0 CDAERP C[NH+]1CCN(Cc2ccoc2C[NH2+]C(C)(C)C)CC1 ZINC000052379590 523910814 /nfs/dbraw/zinc/91/08/14/523910814.db2.gz XMPLGUQJHZEBNX-UHFFFAOYSA-N 2 0 265.401 1.915 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C[C@H](C)C[NH2+]C2CC2)CC1 ZINC000055074735 523955902 /nfs/dbraw/zinc/95/59/02/523955902.db2.gz OZMGPHANBWUSEB-KGLIPLIRSA-N 2 0 253.434 1.791 10 0 CDAERP C[NH+](C)C1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000050952738 524039587 /nfs/dbraw/zinc/03/95/87/524039587.db2.gz NHZLDCIORZMYIN-UHFFFAOYSA-N 3 0 253.434 1.792 10 0 CDAERP COc1cccc([C@@H](C[NH3+])N(C)CC[NH+]2CCCC2)c1 ZINC000063050720 524094743 /nfs/dbraw/zinc/09/47/43/524094743.db2.gz RXRATQAWIHLMOE-MRXNPFEDSA-N 2 0 277.412 1.723 10 0 CDAERP C[C@H](CC[NH+](C)C)[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000049557320 524164216 /nfs/dbraw/zinc/16/42/16/524164216.db2.gz KFQMRTJLNCHMCF-RISCZKNCSA-N 2 0 254.349 1.789 10 0 CDAERP C[C@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000055123278 524201725 /nfs/dbraw/zinc/20/17/25/524201725.db2.gz JEEVNJLTZQXQKX-FPMFFAJLSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@H]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH+](C)C)C[C@@H]1[NH3+] ZINC000061656178 524330230 /nfs/dbraw/zinc/33/02/30/524330230.db2.gz XKJUTQBIHMOEBO-DGAVXFQQSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@H]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH+](C)C)C[C@@H]1[NH3+] ZINC000061656176 524378585 /nfs/dbraw/zinc/37/85/85/524378585.db2.gz XKJUTQBIHMOEBO-FQUUOJAGSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@@H]([NH3+])[C@@H](c1ccsc1)N1CCN(CC[NH+](C)C)CC1 ZINC000061642404 525007196 /nfs/dbraw/zinc/00/71/96/525007196.db2.gz IPPJAZOBYDGLQS-HIFRSBDPSA-N 2 0 296.484 1.316 10 0 CDAERP C[C@@H]1C[NH2+]CCC[N@H+](C[C@@H]2Cc3ccccc3O2)C1 ZINC000051087213 525089239 /nfs/dbraw/zinc/08/92/39/525089239.db2.gz JEHCPYAXHUSZOF-HIFRSBDPSA-N 2 0 260.381 1.922 10 0 CDAERP Cc1ccccc1[C@H](O)C[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061652711 525431027 /nfs/dbraw/zinc/43/10/27/525431027.db2.gz MXUBHJHNGSEHED-QGZVFWFLSA-N 2 0 291.439 1.208 10 0 CDAERP C[C@H]1CCCC[C@]1(C[NH3+])N1CCC[C@@H]1C[NH+](C)C ZINC000061643039 526263119 /nfs/dbraw/zinc/26/31/19/526263119.db2.gz JYFDUCLXFHDOTG-RRFJBIMHSA-N 2 0 253.434 1.920 10 0 CDAERP O=C(CC[C@H]1CCCC[NH2+]1)NCC[NH+]1CCCCCC1 ZINC000050949822 526564500 /nfs/dbraw/zinc/56/45/00/526564500.db2.gz OJWDABRBGIDPIY-OAHLLOKOSA-N 2 0 281.444 1.901 10 0 CDAERP O=C(C[N@@H+]1CC[C@H](c2ccccc2)C1)N1CCC[NH2+]CC1 ZINC000050599385 526806942 /nfs/dbraw/zinc/80/69/42/526806942.db2.gz HMPZCGDZDSDJAS-INIZCTEOSA-N 2 0 287.407 1.298 10 0 CDAERP NC(=[NH2+])c1ncccc1C[N@H+](CCO)C1CCCC1 ZINC000061658266 526824288 /nfs/dbraw/zinc/82/42/88/526824288.db2.gz OCKHBQKRHVJWDE-UHFFFAOYSA-N 2 0 262.357 1.103 10 0 CDAERP Cc1nn(C)c(N2CCC[C@@H]2C[NH+](C)C)c1C[NH2+]C1CC1 ZINC000061646055 527675844 /nfs/dbraw/zinc/67/58/44/527675844.db2.gz NWXHFZWVWDZROU-CQSZACIVSA-N 2 0 291.443 1.511 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)[C@@H](C)[NH3+])C1 ZINC000418705955 535257205 /nfs/dbraw/zinc/25/72/05/535257205.db2.gz SCBQHECMCZHMRJ-UPJWGTAASA-N 2 0 270.421 1.095 10 0 CDAERP CCC[C@H](C(=O)N1CC[C@@H](C[NH+](C)C)C1)[NH+](C)C ZINC000179572714 535579850 /nfs/dbraw/zinc/57/98/50/535579850.db2.gz PETUOTBDKAYVEH-QWHCGFSZSA-N 2 0 255.406 1.127 10 0 CDAERP CCCn1cc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)cn1 ZINC000219864461 535608467 /nfs/dbraw/zinc/60/84/67/535608467.db2.gz HQZIKUYAOSOKQR-GFCCVEGCSA-N 2 0 250.390 1.852 10 0 CDAERP CC[C@H](NC[C@H]1CCC[N@@H+]1CCOC)[C@@H]1CCC[NH2+]1 ZINC000422710583 535913027 /nfs/dbraw/zinc/91/30/27/535913027.db2.gz LNKKUSNAVXGHCM-ILXRZTDVSA-N 2 0 269.433 1.217 10 0 CDAERP CC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)C1(C(=O)OC)CCC1 ZINC000423399023 535939683 /nfs/dbraw/zinc/93/96/83/535939683.db2.gz PHTHWSDGFCUMFG-XQQFMLRXSA-N 2 0 268.401 1.696 10 0 CDAERP C[N@H+](C[C@@H](O)C1CCCCC1)C[C@@H]1CC[NH+](C)C1 ZINC000229047707 536417241 /nfs/dbraw/zinc/41/72/41/536417241.db2.gz MXQKCTKVDLUXJL-UKRRQHHQSA-N 2 0 254.418 1.811 10 0 CDAERP CCN1CCO[C@@H](C[NH2+]C2CC[NH+](C(C)C)CC2)C1 ZINC000167503179 538174555 /nfs/dbraw/zinc/17/45/55/538174555.db2.gz XSXIDOFLNVLCDT-HNNXBMFYSA-N 2 0 269.433 1.170 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N(C)C2CC[NH+](C)CC2)C1 ZINC000096628117 1174575768 /nfs/dbraw/zinc/57/57/68/1174575768.db2.gz LXHYJPRMJWCHOO-AWEZNQCLSA-N 2 0 281.444 1.659 10 0 CDAERP C[N@@H+]1CCC[C@]2(C[NH2+]C[C@@H]2C(=O)OC(C)(C)C)CC1 ZINC000757184552 574901633 /nfs/dbraw/zinc/90/16/33/574901633.db2.gz LQBBNANVNASNPN-IUODEOHRSA-N 2 0 268.401 1.650 10 0 CDAERP Cc1cc(=O)[nH]c(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)n1 ZINC000766991146 576151955 /nfs/dbraw/zinc/15/19/55/576151955.db2.gz WYTHTXKWNOHAPS-QWHCGFSZSA-N 2 0 276.384 1.407 10 0 CDAERP CCc1nc(C[NH2+]CCCN2CC[NH+](C)CC2)cs1 ZINC000124299837 1175317430 /nfs/dbraw/zinc/31/74/30/1175317430.db2.gz LVIOJMNWUBBZQX-UHFFFAOYSA-N 2 0 282.457 1.433 10 0 CDAERP C(C[NH2+][C@@H]1CCCN2CCCC[C@H]12)CN1CCOCC1 ZINC000924535899 617409212 /nfs/dbraw/zinc/40/92/12/617409212.db2.gz ZOAGJWYPEVZFIC-HZPDHXFCSA-N 2 0 281.444 1.315 10 0 CDAERP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000926202941 617514820 /nfs/dbraw/zinc/51/48/20/617514820.db2.gz OEOLDGLVAUOPKF-NXOAAHMSSA-N 2 0 277.456 1.957 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCSCCCO)C1 ZINC000925608037 617550633 /nfs/dbraw/zinc/55/06/33/617550633.db2.gz DYCAMXNZYNJNNL-VXGBXAGGSA-N 2 0 260.447 1.598 10 0 CDAERP C[C@](O)(C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)c1cccs1 ZINC000925614679 617559636 /nfs/dbraw/zinc/55/96/36/617559636.db2.gz ZYWGMJVKWJXRTP-WZRBSPASSA-N 2 0 266.410 1.815 10 0 CDAERP Cc1ccc([C@H](O)C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)o1 ZINC000925622809 617569213 /nfs/dbraw/zinc/56/92/13/617569213.db2.gz NADNWXPEJCEILK-RTXFEEFZSA-N 2 0 250.342 1.481 10 0 CDAERP Cc1ccccc1C[C@H](CO)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925643738 617586677 /nfs/dbraw/zinc/58/66/77/617586677.db2.gz HAWOLRYKYWWANF-BZUAXINKSA-N 2 0 274.408 1.758 10 0 CDAERP O=C1C[C@H](CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CN1 ZINC000925841233 617873210 /nfs/dbraw/zinc/87/32/10/617873210.db2.gz ZSCRMUKIWFUUBB-FQUUOJAGSA-N 2 0 265.401 1.023 10 0 CDAERP C[NH+](C)C1(CN[C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCC1 ZINC000925646553 617590531 /nfs/dbraw/zinc/59/05/31/617590531.db2.gz YTTIRAWGJXUNEV-RDBSUJKOSA-N 2 0 265.445 1.837 10 0 CDAERP CCn1cccc(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)c1=O ZINC000925654748 617597257 /nfs/dbraw/zinc/59/72/57/617597257.db2.gz CKQWXQIZSANMBB-ZIAGYGMSSA-N 2 0 277.412 1.864 10 0 CDAERP Cc1nc(C[NH3+])ccc1[C@H](C)NCc1cc(N)cc[nH+]1 ZINC000925767847 617618231 /nfs/dbraw/zinc/61/82/31/617618231.db2.gz QPUASQFLIOUNLN-JTQLQIEISA-N 2 0 271.368 1.677 10 0 CDAERP CC1(C)[C@@H]([NH2+]CCC2(O)CCOCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925670088 617628094 /nfs/dbraw/zinc/62/80/94/617628094.db2.gz HUQJBJWVZAUHNO-RDBSUJKOSA-N 2 0 282.428 1.284 10 0 CDAERP COC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCCOC1 ZINC000925776900 617671890 /nfs/dbraw/zinc/67/18/90/617671890.db2.gz ACVGOPOCFOIBHW-DFKRWLTFSA-N 2 0 268.401 1.301 10 0 CDAERP Cc1cc(C)n(CCN2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)n1 ZINC000931307958 617700385 /nfs/dbraw/zinc/70/03/85/617700385.db2.gz QJADNVHRLSNCFS-HZPDHXFCSA-N 2 0 276.428 1.774 10 0 CDAERP C[N@@H+]1C[C@@]2(C)CN(C[C@@H](O)c3ccccn3)C[C@@]2(C)C1 ZINC000931319691 617716940 /nfs/dbraw/zinc/71/69/40/617716940.db2.gz YQZXKGULTLKSKT-OAGGEKHMSA-N 2 0 275.396 1.389 10 0 CDAERP CS(=O)(=O)C1CCC(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000925803069 617738487 /nfs/dbraw/zinc/73/84/87/617738487.db2.gz VCGZBGNUOMPBQL-HHTDUIENSA-N 2 0 288.457 1.307 10 0 CDAERP COc1ccsc1[C@@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925812973 617757718 /nfs/dbraw/zinc/75/77/18/617757718.db2.gz QMZHSVBKBDIRNL-LLVKDONJSA-N 2 0 283.441 1.830 10 0 CDAERP C[C@@H](CC1CCCC1)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925814324 617762854 /nfs/dbraw/zinc/76/28/54/617762854.db2.gz HTENJZGBGUFKRD-ZDUSSCGKSA-N 2 0 253.434 1.968 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000925827590 617841025 /nfs/dbraw/zinc/84/10/25/617841025.db2.gz AFRQWGDRKZAMEV-TUAOUCFPSA-N 2 0 298.349 1.830 10 0 CDAERP C[NH+](C)CC[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1cccnc1 ZINC000925828747 617845595 /nfs/dbraw/zinc/84/55/95/617845595.db2.gz ZNALSPSZRWPFNS-XHSDSOJGSA-N 2 0 276.428 1.934 10 0 CDAERP Cn1nc(C(F)(F)F)cc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000925835903 617865041 /nfs/dbraw/zinc/86/50/41/617865041.db2.gz VATCCXRZJYEQAZ-WCBMZHEXSA-N 2 0 276.306 1.656 10 0 CDAERP C[C@H](NC[C@]12CCC[C@H]1[NH2+]CC2)[C@H]1CCCC[NH2+]1 ZINC000925838786 617869649 /nfs/dbraw/zinc/86/96/49/617869649.db2.gz OCDHYTPUCRZBAS-GBJTYRQASA-N 2 0 251.418 1.639 10 0 CDAERP CCO[C@H](CN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1)C[NH+](C)C ZINC000925842484 617874027 /nfs/dbraw/zinc/87/40/27/617874027.db2.gz XNHWSPHLHKKNFP-IXDOHACOSA-N 2 0 297.487 1.711 10 0 CDAERP C(CC[NH2+]C(C1CC1)C1CC1)CCN1CC[NH2+]CC1 ZINC000925845427 617879750 /nfs/dbraw/zinc/87/97/50/617879750.db2.gz OYUUCLWHBDLLJS-UHFFFAOYSA-N 2 0 265.445 1.840 10 0 CDAERP CC[C@H](C[C@](C)(O)CC)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000924953213 618384879 /nfs/dbraw/zinc/38/48/79/618384879.db2.gz QKYQAMNDDFWEAX-BRWVUGGUSA-N 2 0 299.503 1.789 10 0 CDAERP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCOC12CCCCC2 ZINC000924989831 618551031 /nfs/dbraw/zinc/55/10/31/618551031.db2.gz DSBHPBNWNDPQLQ-HOTGVXAUSA-N 2 0 295.471 1.704 10 0 CDAERP C[C@@H]1OC[C@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)[C@@H]1C ZINC000925024978 618800331 /nfs/dbraw/zinc/80/03/31/618800331.db2.gz YWMOOZYDFAEZOO-BARDWOONSA-N 2 0 270.417 1.236 10 0 CDAERP Cn1cc(CN(c2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)nn1 ZINC000895110936 619299976 /nfs/dbraw/zinc/29/99/76/619299976.db2.gz DHKIZTLKJCEUNO-MQMHXKEQSA-N 2 0 286.383 1.487 10 0 CDAERP CC(=O)NCC1CCC([NH2+]CC[C@H](C)[NH+](C)C)CC1 ZINC000895290328 619523207 /nfs/dbraw/zinc/52/32/07/619523207.db2.gz GXRMETQAMHYMMC-GRTSSRMGSA-N 2 0 269.433 1.611 10 0 CDAERP Cc1cnc(F)cc1C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000896682486 620191386 /nfs/dbraw/zinc/19/13/86/620191386.db2.gz UQVZSZYJTATRDB-UHFFFAOYSA-N 2 0 296.390 1.095 10 0 CDAERP C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@@H]1c1ccccc1 ZINC000897240732 620436764 /nfs/dbraw/zinc/43/67/64/620436764.db2.gz OSVIPFDWEJDYKA-JYJNAYRXSA-N 2 0 287.407 1.642 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC(C)(C)CCCO ZINC000925300688 620956275 /nfs/dbraw/zinc/95/62/75/620956275.db2.gz ODPFOYVJJKORHL-PBWFPOADSA-N 2 0 254.418 1.715 10 0 CDAERP Cc1cc(N2CC[NH+](Cc3ccccc3)CC2)nc(N)[nH+]1 ZINC000026417444 621012587 /nfs/dbraw/zinc/01/25/87/621012587.db2.gz CFSFOMWWLWYILJ-UHFFFAOYSA-N 2 0 283.379 1.689 10 0 CDAERP C[C@@H](NC(=[NH2+])NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)C1CC1 ZINC000899263828 622135315 /nfs/dbraw/zinc/13/53/15/622135315.db2.gz QFOAOMWNCLDAPA-JHJVBQTASA-N 2 0 282.432 1.398 10 0 CDAERP C[C@@H]1[C@H](NC(=O)NC2CCC(C)([NH+](C)C)CC2)CC[N@@H+]1C ZINC000923902671 622411801 /nfs/dbraw/zinc/41/18/01/622411801.db2.gz PJUPSLRSGMAUFX-ILTLLKDXSA-N 2 0 296.459 1.641 10 0 CDAERP C(c1noc(C23CCC(CC2)[NH2+]3)n1)C1CC[NH2+]CC1 ZINC000900017604 622646018 /nfs/dbraw/zinc/64/60/18/622646018.db2.gz NZASFAQQPOWVDV-UHFFFAOYSA-N 2 0 262.357 1.353 10 0 CDAERP C[C@@H](CNC(=O)c1ccc(NC2=[NH+]CCC2)cc1)[NH+](C)C ZINC000900164129 622761219 /nfs/dbraw/zinc/76/12/19/622761219.db2.gz WQTFKYRSRNRVTP-LBPRGKRZSA-N 2 0 288.395 1.971 10 0 CDAERP O=C(N1CC[C@@H]([NH+]2CCCCC2)C1)C12CC[NH+](CC1)C2 ZINC000900624392 623309152 /nfs/dbraw/zinc/30/91/52/623309152.db2.gz KBTXENRUJSKFLL-CQSZACIVSA-N 2 0 277.412 1.169 10 0 CDAERP CCOC(=O)[C@H]1CCCN(CCC[NH2+]C2CC2)C1 ZINC000042409175 623891928 /nfs/dbraw/zinc/89/19/28/623891928.db2.gz ARAFENYKURMTFC-LBPRGKRZSA-N 2 0 254.374 1.404 10 0 CDAERP C1C[C@@H]2[NH2+][C@H]1C[C@@H]2[NH2+][C@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000902462999 624853302 /nfs/dbraw/zinc/85/33/02/624853302.db2.gz YQUKXZHSWPABQF-GHRCFYLDSA-N 2 0 250.386 1.674 10 0 CDAERP C1CCC([C@H]2C[NH2+]CC[C@@H]2N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC000902463204 624854954 /nfs/dbraw/zinc/85/49/54/624854954.db2.gz ZTKJJKWQHGANMP-ZVDSWSACSA-N 2 0 263.429 1.637 10 0 CDAERP C([NH2+][C@H]1CCO[C@]12CCOC2)[C@H]1CCN1C1CCCCC1 ZINC000903205375 625898315 /nfs/dbraw/zinc/89/83/15/625898315.db2.gz HQQMUZFXGQHPLC-IKGGRYGDSA-N 2 0 294.439 1.931 10 0 CDAERP CO[C@]1(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CCSC1 ZINC000903317362 625970439 /nfs/dbraw/zinc/97/04/39/625970439.db2.gz SWIZSJJJEQMVTE-OCCSQVGLSA-N 2 0 272.458 1.971 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN(C(=O)c3ccccc3)CC2)C1 ZINC000903426683 625988967 /nfs/dbraw/zinc/98/89/67/625988967.db2.gz KUVNNZSALKTECL-GOEBONIOSA-N 2 0 287.407 1.572 10 0 CDAERP CC(C)[C@H](C)NC(=O)C1CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903434368 625991207 /nfs/dbraw/zinc/99/12/07/625991207.db2.gz FEEPEZWPQADAHF-YCPHGPKFSA-N 2 0 295.471 1.715 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000903444494 625998207 /nfs/dbraw/zinc/99/82/07/625998207.db2.gz AGFXTNMNRVQBAZ-IPYPFGDCSA-N 2 0 262.401 1.140 10 0 CDAERP FC1(F)[C@@H]2C[C@@H](C[N@@H+]3CC[C@]4(CC[NH2+]C4)C3)C[C@@H]21 ZINC000903448890 626000273 /nfs/dbraw/zinc/00/02/73/626000273.db2.gz MMSTUSBESLLZLF-RVMXOQNASA-N 2 0 256.340 1.963 10 0 CDAERP NCC[N@H+](CCc1ccccc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903453024 626001135 /nfs/dbraw/zinc/00/11/35/626001135.db2.gz WYHZVGMAQLZKGH-CVEARBPZSA-N 2 0 261.413 1.617 10 0 CDAERP COc1ccc([C@@H](C[NH3+])CN[C@H]2CC[NH2+]C23CCC3)cc1 ZINC000903470449 626003503 /nfs/dbraw/zinc/00/35/03/626003503.db2.gz BUIJPKVFOIEGTL-HOCLYGCPSA-N 2 0 289.423 1.612 10 0 CDAERP C[C@@H]1C[N@H+](CCC(=O)Nc2cccnc2)C[C@H]1CC[NH3+] ZINC000903498750 626008743 /nfs/dbraw/zinc/00/87/43/626008743.db2.gz CSCQBJBAJABZND-CHWSQXEVSA-N 2 0 276.384 1.327 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCc1cccs1)C2 ZINC000903493260 626011158 /nfs/dbraw/zinc/01/11/58/626011158.db2.gz QZTBNNAFSUZTIV-ZOWXZIJZSA-N 2 0 294.420 1.503 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)C[C@H]1CC[NH3+] ZINC000903495082 626011760 /nfs/dbraw/zinc/01/17/60/626011760.db2.gz UDMLRVUELHHPEX-OXGONZEZSA-N 2 0 295.471 1.844 10 0 CDAERP C(OC1CC[NH+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1)C1CC1 ZINC000903733657 626075005 /nfs/dbraw/zinc/07/50/05/626075005.db2.gz LYVCSNUDCAQSDS-IRXDYDNUSA-N 2 0 294.439 1.646 10 0 CDAERP C([C@H]1CC2(CO1)CC[NH2+]CC2)[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000903784431 626093605 /nfs/dbraw/zinc/09/36/05/626093605.db2.gz OTJCWGOMDLTTOZ-HZSPNIEDSA-N 2 0 282.453 1.440 10 0 CDAERP C([C@H]1CCC2(CCC2)O1)[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903818317 626112345 /nfs/dbraw/zinc/11/23/45/626112345.db2.gz GKZOFMZQFDJACE-OAHLLOKOSA-N 2 0 294.439 1.933 10 0 CDAERP CCCNC(=O)C[N@H+](CCC)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903885681 626133505 /nfs/dbraw/zinc/13/35/05/626133505.db2.gz IXTWQQJEHMPJHF-GOOCMWNKSA-N 2 0 281.444 1.755 10 0 CDAERP CCC1CC[NH+](C[C@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903887030 626133925 /nfs/dbraw/zinc/13/39/25/626133925.db2.gz WUFGWDCZKMPSIK-HNNXBMFYSA-N 2 0 278.444 1.968 10 0 CDAERP COC(=O)C[C@H]1CSCC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903894965 626135759 /nfs/dbraw/zinc/13/57/59/626135759.db2.gz IXNFDOIQTKIGAX-GSPSYOTPSA-N 2 0 298.452 1.498 10 0 CDAERP CCC[C@@H]1CN(C[C@H](C[NH3+])Cc2cnn(C)c2C)CCO1 ZINC000903895848 626135977 /nfs/dbraw/zinc/13/59/77/626135977.db2.gz QRLQEWKJGLYTLR-GOEBONIOSA-N 2 0 294.443 1.347 10 0 CDAERP [NH3+][C@H](CC(F)F)CN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000903905677 626140609 /nfs/dbraw/zinc/14/06/09/626140609.db2.gz LJWMKDJDERRQSE-VXGBXAGGSA-N 2 0 270.327 1.010 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@@H](C3CC3)C2)cnn1C ZINC000903911092 626144091 /nfs/dbraw/zinc/14/40/91/626144091.db2.gz WWDSEUBUUQLDOI-UKRRQHHQSA-N 2 0 276.428 1.578 10 0 CDAERP [NH3+][C@@H](CNc1ccc2c(c1)OCC[NH2+]C2)CC(F)F ZINC000903935137 626153305 /nfs/dbraw/zinc/15/33/05/626153305.db2.gz NYUZBYVQJGSFFH-SNVBAGLBSA-N 2 0 271.311 1.563 10 0 CDAERP CC1([NH+]2CCOCC2)CCN(C[C@@H]([NH3+])CC(F)F)CC1 ZINC000903935508 626154002 /nfs/dbraw/zinc/15/40/02/626154002.db2.gz QUFBKWGPNLZHFY-LBPRGKRZSA-N 2 0 291.386 1.156 10 0 CDAERP COc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc2c1OCCO2 ZINC000903965196 626171755 /nfs/dbraw/zinc/17/17/55/626171755.db2.gz ZWFDQQBMELMGMC-YPMHNXCESA-N 2 0 292.379 1.412 10 0 CDAERP CC(C)[N@H+](C)CCCNC(=[NH2+])NC[C@H]1CCCS1 ZINC000905042280 626381645 /nfs/dbraw/zinc/38/16/45/626381645.db2.gz PONDLIAYSUCGDV-GFCCVEGCSA-N 2 0 272.462 1.726 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000906584995 627339178 /nfs/dbraw/zinc/33/91/78/627339178.db2.gz NQSKJWONAMPLTB-ZIAGYGMSSA-N 2 0 267.417 1.319 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+](CC)C[C@@H]2C)CC[N@@H+]1C ZINC000910265461 628937193 /nfs/dbraw/zinc/93/71/93/628937193.db2.gz HKFVUCYRWDGPDV-SOUVJXGZSA-N 2 0 281.444 1.659 10 0 CDAERP CC[C@@H](C(=O)N[C@@H]1C[C@@H]([NH+](C)C)C1(C)C)[NH+](C)C ZINC000911578884 629336240 /nfs/dbraw/zinc/33/62/40/629336240.db2.gz MJHGZRRSOOJKMP-QJPTWQEYSA-N 2 0 255.406 1.172 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC([NH+]2CCCC2)C1 ZINC000912325270 629937180 /nfs/dbraw/zinc/93/71/80/629937180.db2.gz VIUNHWSIBCJUOG-BETUJISGSA-N 2 0 265.401 1.166 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+]1CCCC1 ZINC000913538075 630532655 /nfs/dbraw/zinc/53/26/55/630532655.db2.gz YAZASKGTYBFKJX-GASCZTMLSA-N 2 0 279.428 1.558 10 0 CDAERP C[C@H]1[C@@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[N@@H+]1C ZINC000913838298 630825993 /nfs/dbraw/zinc/82/59/93/630825993.db2.gz HVFXPYUEBDILDB-AAEUAGOBSA-N 2 0 296.459 1.687 10 0 CDAERP C[C@H]1[C@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)CC[N@@H+]1C ZINC000913886293 630863991 /nfs/dbraw/zinc/86/39/91/630863991.db2.gz YEBYRCKQKYACOZ-UONOGXRCSA-N 2 0 296.459 1.643 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H]1CC[NH+](C)[C@@H]1C ZINC000914341902 631355374 /nfs/dbraw/zinc/35/53/74/631355374.db2.gz UMDZFBKQGYJQJX-LXTVHRRPSA-N 2 0 296.459 1.499 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)C2(O)CCCC2)[C@H](C)C1 ZINC000930001299 632299855 /nfs/dbraw/zinc/29/98/55/632299855.db2.gz UAFJJQDDCQEWCI-QLFBSQMISA-N 2 0 284.444 1.315 10 0 CDAERP C[C@H]1[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC[N@@H+]1C ZINC000920658137 632820777 /nfs/dbraw/zinc/82/07/77/632820777.db2.gz CQLLAUOTISCVSA-LUGNKYPNSA-N 2 0 294.443 1.394 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001691071678 1158887541 /nfs/dbraw/zinc/88/75/41/1158887541.db2.gz MYGGDDJULWTNGN-LGZALOBFSA-N 2 0 293.455 1.827 10 0 CDAERP CC[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001691184113 1158949954 /nfs/dbraw/zinc/94/99/54/1158949954.db2.gz AJVSMCSULLRRBK-YXSUXZIUSA-N 2 0 267.417 1.364 10 0 CDAERP COCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCC[NH+]2CCCC2)C1 ZINC001725589182 1159256459 /nfs/dbraw/zinc/25/64/59/1159256459.db2.gz JTOYGPHPNZXLDH-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP C[C@H](C[NH2+]Cc1ccsc1)N(C)C(=O)C[NH+]1CCCC1 ZINC001482364479 1160179519 /nfs/dbraw/zinc/17/95/19/1160179519.db2.gz KDMHZNUWHJGAFP-CYBMUJFWSA-N 2 0 295.452 1.780 10 0 CDAERP C[N@@H+]1CC[C@@H](N[C@H]2CC[NH+](CC(C)(C)O)C2)CC1(C)C ZINC000865660444 1164677213 /nfs/dbraw/zinc/67/72/13/1164677213.db2.gz MMRRIOQGXGEHRF-KGLIPLIRSA-N 2 0 283.460 1.294 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870872361 1165224482 /nfs/dbraw/zinc/22/44/82/1165224482.db2.gz RZMSNAXCPRCGHZ-HAFSJTIUSA-N 2 0 279.428 1.350 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC(C)(C)[NH+](C)C)C1 ZINC001618046227 1165617879 /nfs/dbraw/zinc/61/78/79/1165617879.db2.gz SOJGJICXIRJJAA-CHWSQXEVSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)[C@H](C)CC[NH+](C)C ZINC001631825733 1166305614 /nfs/dbraw/zinc/30/56/14/1166305614.db2.gz IZDITLWKISGEHP-OLZOCXBDSA-N 2 0 257.422 1.277 10 0 CDAERP Cc1cc(NC(=O)N[C@H]2CC[NH2+]C23CCCC3)cc(C)n1 ZINC001645873120 1167546736 /nfs/dbraw/zinc/54/67/36/1167546736.db2.gz TYJUOQPNSZXHGX-AWEZNQCLSA-N 2 0 288.395 1.917 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCCF)C2)CC[N@@H+]1C ZINC001566791321 1168423297 /nfs/dbraw/zinc/42/32/97/1168423297.db2.gz HJRKEHCEPYTXKF-XDQVBPFNSA-N 2 0 285.407 1.313 10 0 CDAERP C[NH+](C)CCCC(=O)N1CCC[C@H](C[NH2+]CCF)C1 ZINC001566903788 1168461808 /nfs/dbraw/zinc/46/18/08/1168461808.db2.gz UYROWQAZQVTJHN-CYBMUJFWSA-N 2 0 273.396 1.126 10 0 CDAERP Cc1cncc(CC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)n1 ZINC001647284168 1168524360 /nfs/dbraw/zinc/52/43/60/1168524360.db2.gz QVIJIDPJNDTKJS-HRCADAONSA-N 2 0 290.411 1.074 10 0 CDAERP CC[NH2+]CCc1ccc(CNC(=O)C[N@H+](C)C(C)C)cc1 ZINC001567185266 1168609175 /nfs/dbraw/zinc/60/91/75/1168609175.db2.gz SRYJVTOBTTZDCF-UHFFFAOYSA-N 2 0 291.439 1.795 10 0 CDAERP C[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)CC1=CCCCC1 ZINC001567314254 1168674760 /nfs/dbraw/zinc/67/47/60/1168674760.db2.gz VAPOTFKFIALLBY-INIZCTEOSA-N 2 0 293.455 1.877 10 0 CDAERP CC[C@H](C)C[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001567605307 1168883369 /nfs/dbraw/zinc/88/33/69/1168883369.db2.gz WKGXPLFTFBLSLG-STQMWFEESA-N 2 0 255.406 1.032 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CCCF ZINC001568208197 1169177965 /nfs/dbraw/zinc/17/79/65/1169177965.db2.gz MOWQYABNFAKRJQ-KGLIPLIRSA-N 2 0 287.423 1.562 10 0 CDAERP CCCC[NH2+]C[C@@H](C)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001569032952 1169605626 /nfs/dbraw/zinc/60/56/26/1169605626.db2.gz KAYQNAZKJCIHMG-HIFRSBDPSA-N 2 0 267.417 1.367 10 0 CDAERP CC[NH2+]C[C@@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001569562484 1169925643 /nfs/dbraw/zinc/92/56/43/1169925643.db2.gz PBSBNCCGNWRDOW-ZDUSSCGKSA-N 2 0 255.406 1.319 10 0 CDAERP CN(C)C(=O)[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC001654912550 1171649999 /nfs/dbraw/zinc/64/99/99/1171649999.db2.gz RPRHJBOQXZNNFX-KGLIPLIRSA-N 2 0 267.417 1.271 10 0 CDAERP CCOC(=O)[C@H](C)[C@H](C)[NH2+]CCC[NH+](CC)CC ZINC001658137155 1172015376 /nfs/dbraw/zinc/01/53/76/1172015376.db2.gz BFDKWZBNUSLNMO-OLZOCXBDSA-N 2 0 258.406 1.896 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001662675427 1172579521 /nfs/dbraw/zinc/57/95/21/1172579521.db2.gz LUAUGNQOGOJMHC-OAHLLOKOSA-N 2 0 281.444 1.733 10 0 CDAERP CC[C@H](C(=O)N1CC[C@@H](C[NH2+]CC(C)C)C1)[NH+](C)C ZINC001662712298 1172580632 /nfs/dbraw/zinc/58/06/32/1172580632.db2.gz QSMQIMSCULIDFS-UONOGXRCSA-N 2 0 269.433 1.421 10 0 CDAERP CCCCC[NH+]1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001665324331 1172979254 /nfs/dbraw/zinc/97/92/54/1172979254.db2.gz NZJQTURMFFMPMU-UHFFFAOYSA-N 2 0 255.406 1.176 10 0 CDAERP CC(C)C[NH2+]C/C=C\CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001669200761 1173517668 /nfs/dbraw/zinc/51/76/68/1173517668.db2.gz IMILSAXADBJVFB-YPDHSMTDSA-N 2 0 281.444 1.777 10 0 CDAERP COC[C@H](C)[NH2+]CCCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001670271103 1173668446 /nfs/dbraw/zinc/66/84/46/1173668446.db2.gz DVDPDYJMFRNMBZ-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N[C@@H](C[NH2+]CCF)C2CCCC2)C1 ZINC001671555167 1173688058 /nfs/dbraw/zinc/68/80/58/1173688058.db2.gz WZNURCOWVIWKSV-ZFWWWQNUSA-N 2 0 299.434 1.562 10 0 CDAERP CC[NH2+]C[C@]1(C)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001671785876 1173712693 /nfs/dbraw/zinc/71/26/93/1173712693.db2.gz ZHWAFTPQWQVWNT-HIFRSBDPSA-N 2 0 267.417 1.176 10 0 CDAERP CC(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001674775470 1174008927 /nfs/dbraw/zinc/00/89/27/1174008927.db2.gz VZGNYAUTZAINSZ-STQMWFEESA-N 2 0 255.406 1.221 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCCC2)CC[N@@H+]1C ZINC001620943905 1174170602 /nfs/dbraw/zinc/17/06/02/1174170602.db2.gz HHWFQXTXIULMTE-OLZOCXBDSA-N 2 0 267.417 1.460 10 0 CDAERP CCOCC[N@@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001676879132 1174284633 /nfs/dbraw/zinc/28/46/33/1174284633.db2.gz KYXIPKIQSOXJBA-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP CC[C@H](C(=O)N1CCCCC[C@@H]([NH2+]CCOC)C1)[NH+](C)C ZINC001689265219 1175132766 /nfs/dbraw/zinc/13/27/66/1175132766.db2.gz PWLDKQBTFZIRHJ-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)=CC[NH2+][C@@H](CNC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001690164846 1175392364 /nfs/dbraw/zinc/39/23/64/1175392364.db2.gz ODIFUEQJRFCEJC-HNNXBMFYSA-N 2 0 293.455 1.779 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001690363559 1175450439 /nfs/dbraw/zinc/45/04/39/1175450439.db2.gz SYURKIJGDSUINW-BETUJISGSA-N 2 0 255.406 1.365 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001691909397 1175650186 /nfs/dbraw/zinc/65/01/86/1175650186.db2.gz WNLWWFUISLDJTH-AWEZNQCLSA-N 2 0 269.433 1.422 10 0 CDAERP CC[NH2+]CC[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001698685263 1175895658 /nfs/dbraw/zinc/89/56/58/1175895658.db2.gz PEDFOKFQRKLJRX-CQSZACIVSA-N 2 0 267.417 1.320 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001698843222 1175959217 /nfs/dbraw/zinc/95/92/17/1175959217.db2.gz BKULKXSIOWOGNN-CQSZACIVSA-N 2 0 281.444 1.731 10 0 CDAERP CC(C)OCC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001698962504 1175997889 /nfs/dbraw/zinc/99/78/89/1175997889.db2.gz UWQVRSMWOLFTFL-CABCVRRESA-N 2 0 299.459 1.236 10 0 CDAERP Cc1ncc(C[NH2+]CCCN(C)C(=O)[C@H]2CCC[N@@H+]2C)o1 ZINC001699527474 1176462753 /nfs/dbraw/zinc/46/27/53/1176462753.db2.gz WTYLQJSEWHBPTF-CQSZACIVSA-N 2 0 294.399 1.015 10 0 CDAERP CC[C@@H](C(=O)N(C)CCC[NH2+]Cc1conc1C)[NH+](C)C ZINC001699535273 1176466059 /nfs/dbraw/zinc/46/60/59/1176466059.db2.gz OIHLSWXWZGTQMU-AWEZNQCLSA-N 2 0 296.415 1.261 10 0 CDAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1([NH2+]CCCF)CC1 ZINC001699671700 1176564994 /nfs/dbraw/zinc/56/49/94/1176564994.db2.gz ZIRJLPWRNWJFOV-STQMWFEESA-N 2 0 285.407 1.457 10 0 CDAERP CC[NH2+]CC[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001700069025 1176738311 /nfs/dbraw/zinc/73/83/11/1176738311.db2.gz YQXAIPAVYVPMMZ-HUUCEWRRSA-N 2 0 281.444 1.709 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H](CC[NH2+]CCF)C2)C1 ZINC001700086130 1176743165 /nfs/dbraw/zinc/74/31/65/1176743165.db2.gz YSBVBKPDGKCISP-KGLIPLIRSA-N 2 0 285.407 1.126 10 0 CDAERP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]C/C=C/Cl ZINC001700766285 1177121362 /nfs/dbraw/zinc/12/13/62/1177121362.db2.gz FVKUQAPICKOXHB-ZRQQLDRUSA-N 2 0 261.797 1.127 10 0 CDAERP CCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001700845599 1177163535 /nfs/dbraw/zinc/16/35/35/1177163535.db2.gz KBPMHQXROKHSPX-UONOGXRCSA-N 2 0 281.444 1.850 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]CCCF)C(C)(C)C1 ZINC001700926595 1177196908 /nfs/dbraw/zinc/19/69/08/1177196908.db2.gz NRGITWGQLLECBC-ZDUSSCGKSA-N 2 0 287.423 1.513 10 0 CDAERP CC[N@@H+](C/C=C/Cl)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001707472565 1178069366 /nfs/dbraw/zinc/06/93/66/1178069366.db2.gz KTZTYCOJOCSLMJ-XVNBXDOJSA-N 2 0 299.846 1.663 10 0 CDAERP CC[N@H+](CCCNC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001707480006 1178074081 /nfs/dbraw/zinc/07/40/81/1178074081.db2.gz BOYZKHHNMBKYEH-UHFFFAOYSA-N 2 0 293.455 1.853 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C)CC1CC1 ZINC001712991360 1178289980 /nfs/dbraw/zinc/28/99/80/1178289980.db2.gz QVDPKBWHKFCYPE-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)C[N@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)C1CC1 ZINC001713048060 1178328825 /nfs/dbraw/zinc/32/88/25/1178328825.db2.gz KDNFVLZRVNGJBK-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)C1CC1 ZINC001713048308 1178330564 /nfs/dbraw/zinc/33/05/64/1178330564.db2.gz SPWWYRMTTRBIEQ-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP C[NH+](C)CCCCC(=O)N[C@@H]1CCC[C@H]([NH2+]CCF)C1 ZINC001713382797 1178528639 /nfs/dbraw/zinc/52/86/39/1178528639.db2.gz UIQOWYJVILJSSX-UONOGXRCSA-N 2 0 287.423 1.705 10 0 CDAERP CCCC[NH2+][C@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001713419604 1178550563 /nfs/dbraw/zinc/55/05/63/1178550563.db2.gz FFEUPPKSCQCPNJ-CYBMUJFWSA-N 2 0 267.417 1.367 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001713472603 1178588544 /nfs/dbraw/zinc/58/85/44/1178588544.db2.gz DJSXOOFOWBJGBU-UONOGXRCSA-N 2 0 269.433 1.563 10 0 CDAERP CN(CC[NH2+]CCC1CC1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001713605821 1178678204 /nfs/dbraw/zinc/67/82/04/1178678204.db2.gz OSMABMFAVBMXJK-HOTGVXAUSA-N 2 0 293.455 1.851 10 0 CDAERP CCCC[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001713643260 1178693358 /nfs/dbraw/zinc/69/33/58/1178693358.db2.gz FYZDVKIDJDKHIJ-CABCVRRESA-N 2 0 281.444 1.851 10 0 CDAERP CC[C@H](C(=O)N(C)CC[NH2+]Cc1c(C)noc1C)[NH+](C)C ZINC001713655515 1178697985 /nfs/dbraw/zinc/69/79/85/1178697985.db2.gz GWCOTGHVDGXRGT-CQSZACIVSA-N 2 0 296.415 1.180 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]([NH2+]CC1=CCCCC1)C1CC1 ZINC001713876819 1178807603 /nfs/dbraw/zinc/80/76/03/1178807603.db2.gz QCNYHFFEKKQZPC-MRXNPFEDSA-N 2 0 293.455 1.923 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCCF)C2)CC1 ZINC001713933671 1178859942 /nfs/dbraw/zinc/85/99/42/1178859942.db2.gz RZXPFASKIZFABN-HNNXBMFYSA-N 2 0 299.434 1.657 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001713964979 1178895044 /nfs/dbraw/zinc/89/50/44/1178895044.db2.gz SHGSIZGXJBMGFN-MGPQQGTHSA-N 2 0 267.417 1.365 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001714017816 1178928625 /nfs/dbraw/zinc/92/86/25/1178928625.db2.gz GJMAFBNFVSOQEB-RFQIPJPRSA-N 2 0 267.417 1.221 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)[NH2+]CCCF ZINC001714082698 1178964788 /nfs/dbraw/zinc/96/47/88/1178964788.db2.gz AMYIJWGQXACSRC-QJPTWQEYSA-N 2 0 282.363 1.357 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)[NH2+]CCCF ZINC001714082697 1178965223 /nfs/dbraw/zinc/96/52/23/1178965223.db2.gz AMYIJWGQXACSRC-IJLUTSLNSA-N 2 0 282.363 1.357 10 0 CDAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC1CCCC1 ZINC001714304155 1179075964 /nfs/dbraw/zinc/07/59/64/1179075964.db2.gz DYETVZDYYOYRFH-ZDUSSCGKSA-N 2 0 267.417 1.367 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]C/C=C\Cl)C2)CC[N@@H+]1C ZINC001714347186 1179099642 /nfs/dbraw/zinc/09/96/42/1179099642.db2.gz UPUQYQUBIJOWJY-WBFTZMQVSA-N 2 0 299.846 1.517 10 0 CDAERP CC(C)=CC[NH2+]CCN(C)C(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001714768505 1179386889 /nfs/dbraw/zinc/38/68/89/1179386889.db2.gz TURJTXIQJIIIRY-ZDUSSCGKSA-N 2 0 278.400 1.603 10 0 CDAERP C[C@@H](C[NH2+]CCC1CC1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001714821384 1179411017 /nfs/dbraw/zinc/41/10/17/1179411017.db2.gz HVVWJIOVYDCHBL-ZFWWWQNUSA-N 2 0 281.444 1.565 10 0 CDAERP CCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001715255134 1179598087 /nfs/dbraw/zinc/59/80/87/1179598087.db2.gz RHLDFXGNUBUBAW-HUUCEWRRSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001715255130 1179598624 /nfs/dbraw/zinc/59/86/24/1179598624.db2.gz RHLDFXGNUBUBAW-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP COCCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001715337031 1179631856 /nfs/dbraw/zinc/63/18/56/1179631856.db2.gz BKQSBRWDCLIMKM-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP CC[NH2+]C[C@@H](C)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001715337692 1179632984 /nfs/dbraw/zinc/63/29/84/1179632984.db2.gz JXDAIIYUZUJHEA-OLZOCXBDSA-N 2 0 255.406 1.317 10 0 CDAERP C[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)[C@H]1C[NH2+]CCF ZINC001715384124 1179653030 /nfs/dbraw/zinc/65/30/30/1179653030.db2.gz IKGOHFSRQULKFT-HIFRSBDPSA-N 2 0 299.434 1.657 10 0 CDAERP C[C@H]1CCCN(C(=O)CCC[NH+](C)C)[C@@H]1C[NH2+]CCF ZINC001715476419 1179676788 /nfs/dbraw/zinc/67/67/88/1179676788.db2.gz PZBJAGJHNPKUPU-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP CC[C@@H](F)C[NH2+]CCN(CC)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001715735961 1179785500 /nfs/dbraw/zinc/78/55/00/1179785500.db2.gz YLCVFFLYAQQVIR-HUUCEWRRSA-N 2 0 299.434 1.514 10 0 CDAERP COC[C@H](C)[NH2+]C/C=C\CNC(=O)C[NH+]1CCC(C)CC1 ZINC001716357539 1180167058 /nfs/dbraw/zinc/16/70/58/1180167058.db2.gz PWQBOVWGAFESEW-XVWMLYKFSA-N 2 0 297.443 1.015 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001716656468 1180344308 /nfs/dbraw/zinc/34/43/08/1180344308.db2.gz RMEAAOUQNIHNPH-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CCC[NH2+]CC(C)(C)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001717458650 1180679819 /nfs/dbraw/zinc/67/98/19/1180679819.db2.gz BESHYCQOYCXGNQ-AWEZNQCLSA-N 2 0 283.460 1.812 10 0 CDAERP CC(C)=CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001717497870 1180713788 /nfs/dbraw/zinc/71/37/88/1180713788.db2.gz JLNXIYXOYCVLIV-KGLIPLIRSA-N 2 0 267.417 1.341 10 0 CDAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CCCO ZINC001717744872 1180823075 /nfs/dbraw/zinc/82/30/75/1180823075.db2.gz JZLQYZCYPZZCGA-GJZGRUSLSA-N 2 0 299.459 1.068 10 0 CDAERP CCCC[NH2+][C@@H](C)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001717749729 1180827072 /nfs/dbraw/zinc/82/70/72/1180827072.db2.gz JGWJHBHMAWAFMZ-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)=CC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001717900357 1180919149 /nfs/dbraw/zinc/91/91/49/1180919149.db2.gz HOQRCZJZZZNVEX-CQSZACIVSA-N 2 0 281.444 1.731 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C[NH2+]CCF)C(C)(C)C ZINC001717970938 1180952777 /nfs/dbraw/zinc/95/27/77/1180952777.db2.gz FJOLWYALTHVAQI-GFCCVEGCSA-N 2 0 275.412 1.418 10 0 CDAERP CN(CCC[NH2+]CCCF)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001723150873 1181521685 /nfs/dbraw/zinc/52/16/85/1181521685.db2.gz WJDBFJBNENHPAX-GJZGRUSLSA-N 2 0 299.434 1.801 10 0 CDAERP COCCC[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001723906756 1181622980 /nfs/dbraw/zinc/62/29/80/1181622980.db2.gz UUQNNFIRYPPBPE-HNNXBMFYSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)OCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001724543906 1181692404 /nfs/dbraw/zinc/69/24/04/1181692404.db2.gz HRYKRHWFLHKQFC-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)OCC[NH2+][C@H](C)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001725514538 1182032083 /nfs/dbraw/zinc/03/20/83/1182032083.db2.gz KHXPZSWFDXREHL-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001725593829 1182065362 /nfs/dbraw/zinc/06/53/62/1182065362.db2.gz ONCWVUAHTOYNEI-KGLIPLIRSA-N 2 0 269.433 1.562 10 0 CDAERP C[N@H+](CCCNC(=O)C[C@@H]1CC[NH+](C)C1)CC1CCC1 ZINC001731277125 1182291597 /nfs/dbraw/zinc/29/15/97/1182291597.db2.gz BQCVCHHWGIBFLD-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]CCCO ZINC001731292644 1182298455 /nfs/dbraw/zinc/29/84/55/1182298455.db2.gz JWVYNDXINMMDCC-GJZGRUSLSA-N 2 0 299.459 1.070 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001731306605 1182307684 /nfs/dbraw/zinc/30/76/84/1182307684.db2.gz BLJMXMXAWFDROP-CQSZACIVSA-N 2 0 267.417 1.176 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C/C=C/Cl)C1CC1 ZINC001731328436 1182323413 /nfs/dbraw/zinc/32/34/13/1182323413.db2.gz OWVJVYJLALOOHJ-VSZOKUSCSA-N 2 0 299.846 1.804 10 0 CDAERP CCCCC[NH2+][C@@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001731633236 1182492512 /nfs/dbraw/zinc/49/25/12/1182492512.db2.gz LUEQAWOCTMLTLL-UONOGXRCSA-N 2 0 269.433 1.613 10 0 CDAERP CC/C=C\CC[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001731638322 1182494866 /nfs/dbraw/zinc/49/48/66/1182494866.db2.gz XQBICKUDCGDYBM-HLMASZERSA-N 2 0 267.417 1.389 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001731681562 1182515295 /nfs/dbraw/zinc/51/52/95/1182515295.db2.gz QQZNNDRORHWEEZ-GJZGRUSLSA-N 2 0 279.428 1.342 10 0 CDAERP CCCCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001731846400 1182623947 /nfs/dbraw/zinc/62/39/47/1182623947.db2.gz NBNCIFMYXDDHMY-BZUAXINKSA-N 2 0 295.471 1.955 10 0 CDAERP Cc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001731897757 1182663622 /nfs/dbraw/zinc/66/36/22/1182663622.db2.gz DSTYQDIBBLFAJC-INIZCTEOSA-N 2 0 289.423 1.637 10 0 CDAERP CCC[N@@H+]1CC[C@@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001732170896 1182828036 /nfs/dbraw/zinc/82/80/36/1182828036.db2.gz PTCHMSMQOFDZQQ-CQSZACIVSA-N 2 0 269.433 1.661 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001732454479 1182973970 /nfs/dbraw/zinc/97/39/70/1182973970.db2.gz OQNAQQBNABBMBY-AWEZNQCLSA-N 2 0 267.417 1.485 10 0 CDAERP COCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001732524588 1182996435 /nfs/dbraw/zinc/99/64/35/1182996435.db2.gz NSOWWXGUGVUPES-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(CC)CC[NH2+]CCF)CC[N@@H+]1C ZINC001732774342 1183121343 /nfs/dbraw/zinc/12/13/43/1183121343.db2.gz ZQWIWKOIIJAKEI-QWHCGFSZSA-N 2 0 273.396 1.124 10 0 CDAERP C[NH+](C)CCC(=O)NC/C=C/C[NH2+]Cc1ccccc1 ZINC001732896006 1183175170 /nfs/dbraw/zinc/17/51/70/1183175170.db2.gz XPDBRXUSBXWGDZ-VOTSOKGWSA-N 2 0 275.396 1.400 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC/C=C\C[NH2+]C[C@H]1CCCOC1 ZINC001732941960 1183193072 /nfs/dbraw/zinc/19/30/72/1183193072.db2.gz IHTFTTWSYVBJQT-FOSCPCJNSA-N 2 0 297.443 1.015 10 0 CDAERP CC[NH2+]C[C@@]1(C)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001733442376 1183433434 /nfs/dbraw/zinc/43/34/34/1183433434.db2.gz WVYUTSRPTJMMHI-DZGCQCFKSA-N 2 0 267.417 1.176 10 0 CDAERP CC(C)=CC[N@@H+]1C[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C1 ZINC001733576676 1183470549 /nfs/dbraw/zinc/47/05/49/1183470549.db2.gz WYFHAXSGZSTFPK-IYBDPMFKSA-N 2 0 293.455 1.685 10 0 CDAERP CCCC[NH2+]CC[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001733673337 1183494363 /nfs/dbraw/zinc/49/43/63/1183494363.db2.gz QDUQPOVGIRPFIJ-HZPDHXFCSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001734216848 1183694246 /nfs/dbraw/zinc/69/42/46/1183694246.db2.gz HABPNWNYINMKNO-HDJSIYSDSA-N 2 0 269.433 1.469 10 0 CDAERP CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@H](C[NH2+]CCCF)C1CC1 ZINC001734309805 1183722684 /nfs/dbraw/zinc/72/26/84/1183722684.db2.gz DSBIKPKSVZSIPO-UKRRQHHQSA-N 2 0 299.434 1.514 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]CCC1CC1 ZINC001734355426 1183744971 /nfs/dbraw/zinc/74/49/71/1183744971.db2.gz CCZYSGXAEUIUHB-CYBMUJFWSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001734427558 1183776387 /nfs/dbraw/zinc/77/63/87/1183776387.db2.gz ZBNMABHVJZOXNC-CABCVRRESA-N 2 0 281.444 1.873 10 0 CDAERP [NH3+]C[C@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@@H]1C(F)(F)F ZINC000872150131 1165385684 /nfs/dbraw/zinc/38/56/84/1165385684.db2.gz YNWGSCWYSQTSPD-QWRGUYRKSA-N 3 0 265.323 1.055 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)CC[C@H]1CC1(Cl)Cl ZINC000706631645 758847542 /nfs/dbraw/zinc/84/75/42/758847542.db2.gz PIOWTJJICMUVHH-JTQLQIEISA-N 2 0 269.216 1.738 10 0 CDAERP CCOC(=O)/C=C\C[N@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000931380604 758869640 /nfs/dbraw/zinc/86/96/40/758869640.db2.gz MOIUMLFFJHAGPX-WAYWQWQTSA-N 2 0 298.427 1.396 10 0 CDAERP CCC[NH+]1CCC(NC[C@H](C[NH+](C)C)OCC)CC1 ZINC000926967105 758889785 /nfs/dbraw/zinc/88/97/85/758889785.db2.gz ZYMBXKGYOCSLND-OAHLLOKOSA-N 2 0 271.449 1.417 10 0 CDAERP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@H](C)O)C2)ccn1 ZINC000856584421 758946281 /nfs/dbraw/zinc/94/62/81/758946281.db2.gz JTTXGJRNIVBPBV-XJKSGUPXSA-N 2 0 293.411 1.367 10 0 CDAERP CN(C[C@H]1CCC[N@H+](C)C1)C[C@H]1CCCC[NH2+]C1 ZINC000705146266 759007012 /nfs/dbraw/zinc/00/70/12/759007012.db2.gz GPFQCFPRHTYXIL-GJZGRUSLSA-N 2 0 253.434 1.650 10 0 CDAERP C[C@@H](c1nc(C2CC2)no1)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923498752 770313465 /nfs/dbraw/zinc/31/34/65/770313465.db2.gz KZKYZUHNXBNHGX-JFGNBEQYSA-N 2 0 264.373 1.925 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCCCC[NH3+])[C@H]2CCC[C@@H]21 ZINC000843342217 770839630 /nfs/dbraw/zinc/83/96/30/770839630.db2.gz OROKRNPBUMPUEY-ILXRZTDVSA-N 3 0 253.434 1.968 10 0 CDAERP COC[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)C1CCOCC1 ZINC000925803428 770871483 /nfs/dbraw/zinc/87/14/83/770871483.db2.gz OILJDCUTXJEREU-YUELXQCFSA-N 2 0 270.417 1.263 10 0 CDAERP CN(CCC[NH+](C)C)CCNC(=O)[C@]12C[C@H]1CCCC2 ZINC000869242375 771090876 /nfs/dbraw/zinc/09/08/76/771090876.db2.gz KHVDZQNMHQFWDH-GDBMZVCRSA-N 2 0 281.444 1.566 10 0 CDAERP CC1(C)[C@H]([NH2+]CC[C@H]2CCOC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925637432 768830727 /nfs/dbraw/zinc/83/07/27/768830727.db2.gz LDMRQYLAYRWWKS-RFQIPJPRSA-N 2 0 252.402 1.779 10 0 CDAERP COCC[NH+](CCOC)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000093678100 768828228 /nfs/dbraw/zinc/82/82/28/768828228.db2.gz WEWICEPJIWWVCP-GOOCMWNKSA-N 2 0 270.417 1.502 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@H]2CCCOc3ccccc32)CC1 ZINC000925816201 768829094 /nfs/dbraw/zinc/82/90/94/768829094.db2.gz WOOMXOPCXVLHNQ-INIZCTEOSA-N 2 0 289.423 1.913 10 0 CDAERP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2C)o1 ZINC000928438293 768830942 /nfs/dbraw/zinc/83/09/42/768830942.db2.gz DTDQDZYZGXSBDI-JSGCOSHPSA-N 2 0 293.411 1.944 10 0 CDAERP CN(CC[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1)c1ccccc1 ZINC000923321023 768858155 /nfs/dbraw/zinc/85/81/55/768858155.db2.gz BXSMXTXYBLBFSH-INIZCTEOSA-N 2 0 289.423 1.433 10 0 CDAERP C[NH+](C)CCOCC[NH2+]Cc1cccc2[nH]c(=O)oc21 ZINC000922008210 768898972 /nfs/dbraw/zinc/89/89/72/768898972.db2.gz KBHABYLCJGHGLJ-UHFFFAOYSA-N 2 0 279.340 1.201 10 0 CDAERP CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000921437976 768940140 /nfs/dbraw/zinc/94/01/40/768940140.db2.gz MMKKLYFSYIYAHO-MGPQQGTHSA-N 2 0 282.432 1.253 10 0 CDAERP C[C@@H]([NH3+])CC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000870910518 769014800 /nfs/dbraw/zinc/01/48/00/769014800.db2.gz IUVMPRCIELWGGD-DVJZZOLTSA-N 2 0 297.349 1.564 10 0 CDAERP C[C@H]1C[C@H](N(C)C(=O)C=C2CC[NH2+]CC2)CC[N@@H+]1C ZINC000852871046 769306163 /nfs/dbraw/zinc/30/61/63/769306163.db2.gz ULDRGEMYZSOUBT-GXTWGEPZSA-N 2 0 265.401 1.237 10 0 CDAERP CC1(C)[C@H]([NH2+]CCOC2CCOCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925877893 769319695 /nfs/dbraw/zinc/31/96/95/769319695.db2.gz NUFOVIHMUGJOLX-QLFBSQMISA-N 2 0 282.428 1.548 10 0 CDAERP CC1(C)C[C@@H](C[NH2+]C[C@@H](O)C[NH+]2CCCC2)C(C)(C)O1 ZINC000709748221 769497240 /nfs/dbraw/zinc/49/72/40/769497240.db2.gz BWXLNVJGROLMTG-UONOGXRCSA-N 2 0 284.444 1.626 10 0 CDAERP C[N@@H+]1CC[C@H](NC[C@H]2C[NH+]3CCC[C@H]3CO2)CC1(C)C ZINC000858126852 769497890 /nfs/dbraw/zinc/49/78/90/769497890.db2.gz LKJAHAFGXUAPGR-KKUMJFAQSA-N 2 0 281.444 1.312 10 0 CDAERP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000925787469 769638449 /nfs/dbraw/zinc/63/84/49/769638449.db2.gz SYYRTSCYCHBJSU-VDERGJSUSA-N 2 0 261.413 1.390 10 0 CDAERP CCc1noc([C@@H]2CC[C@H]([NH2+][C@H]3CCC[C@H]3[NH3+])C2)n1 ZINC000925872364 769717758 /nfs/dbraw/zinc/71/77/58/769717758.db2.gz CEUCCXMYZZFKKE-KXNHARMFSA-N 2 0 264.373 1.738 10 0 CDAERP CCSCC[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720811409 769724246 /nfs/dbraw/zinc/72/42/46/769724246.db2.gz OTJGGURBMBOTIQ-RKDXNWHRSA-N 2 0 256.337 1.809 10 0 CDAERP CCCCOC[C@@H](O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000227910398 769729315 /nfs/dbraw/zinc/72/93/15/769729315.db2.gz CPOBYDKQDQPUJR-HOTGVXAUSA-N 2 0 284.444 1.628 10 0 CDAERP CCC(CC)(C[NH3+])C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712678392 769776655 /nfs/dbraw/zinc/77/66/55/769776655.db2.gz NFOOUCDCUYYGJC-UHFFFAOYSA-N 2 0 269.433 1.694 10 0 CDAERP CC(C)(C)[C@H](Cn1ccnc1)NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000097093285 769808747 /nfs/dbraw/zinc/80/87/47/769808747.db2.gz DBONOYQFCBGCEJ-AGIUHOORSA-N 2 0 278.400 1.541 10 0 CDAERP C[C@H]1C[C@@H]1C(N)=NOCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000848521936 769810348 /nfs/dbraw/zinc/81/03/48/769810348.db2.gz UWNZEPLHCNKWTA-YFKTTZPYSA-N 2 0 253.346 1.004 10 0 CDAERP c1csc(-c2cc(CN3CC[NH2+]CC[NH2+]CC3)no2)c1 ZINC000923463535 769830261 /nfs/dbraw/zinc/83/02/61/769830261.db2.gz FMEOXXQCVUVHCW-UHFFFAOYSA-N 2 0 292.408 1.398 10 0 CDAERP C[C@@H]1CN(C(=O)C[N@H+](C)CCCCCC[NH3+])C[C@@H](C)O1 ZINC000710692007 769836093 /nfs/dbraw/zinc/83/60/93/769836093.db2.gz ABYRSPOYVHIFSD-ZIAGYGMSSA-N 2 0 285.432 1.073 10 0 CDAERP COC(=O)C[C@@H]1C[N@H+](CCCn2ccnc2)C[C@H]1C ZINC000932105146 769850482 /nfs/dbraw/zinc/85/04/82/769850482.db2.gz QXWOHZXLNRAWFG-CHWSQXEVSA-N 2 0 265.357 1.404 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccnc(-n2cncn2)c1 ZINC000926781467 769862272 /nfs/dbraw/zinc/86/22/72/769862272.db2.gz HTGWDBOXPKBCKK-MZBDJJRSSA-N 2 0 298.394 1.092 10 0 CDAERP Cc1cc([C@@H]([NH3+])CC(=O)N(C)CC(C)(C)[NH3+])cc(Cl)n1 ZINC000852841730 769887284 /nfs/dbraw/zinc/88/72/84/769887284.db2.gz JVIWVEGLSFUZHM-NSHDSACASA-N 2 0 298.818 1.629 10 0 CDAERP CCO[C@H](C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)CN(C)C ZINC000922753034 769892206 /nfs/dbraw/zinc/89/22/06/769892206.db2.gz BJCCBAILCMOXAT-XJFOESAGSA-N 2 0 258.406 1.499 10 0 CDAERP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC(C)(C)CS(C)(=O)=O ZINC000925833672 770000744 /nfs/dbraw/zinc/00/07/44/770000744.db2.gz VVAXOKZSMBCOQM-NEPJUHHUSA-N 2 0 276.446 1.035 10 0 CDAERP CC(C)C[C@H](CNC(=O)C=C1CC[NH2+]CC1)[NH+](C)C ZINC000852856558 770055946 /nfs/dbraw/zinc/05/59/46/770055946.db2.gz AJXYTTCKBPBZDF-CQSZACIVSA-N 2 0 267.417 1.389 10 0 CDAERP C[C@H](CCNC(=[NH2+])N1CCO[C@@H](C)C1)[NH+]1CCCCC1 ZINC000849018440 770286698 /nfs/dbraw/zinc/28/66/98/770286698.db2.gz VKFAXHWXWXWUCA-KGLIPLIRSA-N 2 0 282.432 1.496 10 0 CDAERP O[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000923413058 770430259 /nfs/dbraw/zinc/43/02/59/770430259.db2.gz BCMGSVBMMQJXTG-ZACQAIPSSA-N 2 0 274.408 1.664 10 0 CDAERP CO[C@@]1(C[NH2+][C@H](C)C2CC[NH+](C)CC2)CCSC1 ZINC000719232578 770453959 /nfs/dbraw/zinc/45/39/59/770453959.db2.gz ZLTUGGHNJKRGBV-TZMCWYRMSA-N 2 0 272.458 1.828 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)CCCC[NH+]1CCCC1 ZINC000844196843 770696035 /nfs/dbraw/zinc/69/60/35/770696035.db2.gz NRQKXDBYLZGINZ-STQMWFEESA-N 2 0 253.390 1.201 10 0 CDAERP C[C@@H]1CCC[N@H+](CCNC(=O)CCC23CC(C2)C[NH2+]3)C1 ZINC000870866408 770786774 /nfs/dbraw/zinc/78/67/74/770786774.db2.gz URPKZZXSAHUEBR-VQCLRJIVSA-N 2 0 279.428 1.367 10 0 CDAERP [NH3+]CCCCCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000846228250 770810716 /nfs/dbraw/zinc/81/07/16/770810716.db2.gz KZHTVGWVLGTATC-XHSDSOJGSA-N 3 0 283.460 1.866 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cnn(CCF)c2)C1 ZINC000922223290 770831243 /nfs/dbraw/zinc/83/12/43/770831243.db2.gz IJFLVGUATDCEJT-BJHJDKERSA-N 2 0 254.353 1.282 10 0 CDAERP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925607603 770881557 /nfs/dbraw/zinc/88/15/57/770881557.db2.gz WERMAFHQHIWWDD-LSDHHAIUSA-N 3 0 296.503 1.508 10 0 CDAERP CC[C@@H]1CCN(C(=[NH2+])NCCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000864465405 770887666 /nfs/dbraw/zinc/88/76/66/770887666.db2.gz VWHGRMROKQILQT-HUUCEWRRSA-N 2 0 296.459 1.744 10 0 CDAERP CS[C@H](CO)[C@H](C)[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000703534735 770946783 /nfs/dbraw/zinc/94/67/83/770946783.db2.gz LXYVKZYLBMAMBF-CKIKVBCHSA-N 2 0 272.458 1.465 10 0 CDAERP COC[C@H](CC(C)C)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925854854 771000361 /nfs/dbraw/zinc/00/03/61/771000361.db2.gz NXHKHSZSUPAYFA-UONOGXRCSA-N 2 0 298.427 1.322 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCN1CCc2[nH+]ccc(N)c2C1 ZINC000931515082 771041705 /nfs/dbraw/zinc/04/17/05/771041705.db2.gz NYVOJHCEGMPHSW-LBPRGKRZSA-N 2 0 260.385 1.506 10 0 CDAERP C[C@@H](c1ccncc1)N1CCC([NH2+]C[C@@H](O)C2CC2)CC1 ZINC000819183993 771042030 /nfs/dbraw/zinc/04/20/30/771042030.db2.gz VJAGDGBACLRKNX-SUMWQHHRSA-N 2 0 289.423 1.968 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1COC2(CCCCC2)O1 ZINC000817919060 771047053 /nfs/dbraw/zinc/04/70/53/771047053.db2.gz PAFNZWSBFZNYPS-UONOGXRCSA-N 2 0 286.416 1.406 10 0 CDAERP C[C@](O)(C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2)c1ccccc1 ZINC000925614639 771063971 /nfs/dbraw/zinc/06/39/71/771063971.db2.gz ZGUJMHKGZNQHBH-KKUMJFAQSA-N 2 0 260.381 1.754 10 0 CDAERP CN(CCCCCC[NH3+])N(C)C[C@@H]1CCC[N@@H+]1C ZINC000872198232 771067985 /nfs/dbraw/zinc/06/79/85/771067985.db2.gz XZXGDAJWABRHLL-AWEZNQCLSA-N 2 0 256.438 1.378 10 0 CDAERP C1C[NH2+][C@H](c2nc([C@@H]3CN4CCC[C@H]4CO3)no2)C1 ZINC000252539976 771076398 /nfs/dbraw/zinc/07/63/98/771076398.db2.gz CBJPWEXHJBNYAD-DCAQKATOSA-N 2 0 264.329 1.030 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000852861152 771143453 /nfs/dbraw/zinc/14/34/53/771143453.db2.gz PPCNHXLBNQKZLY-OAHLLOKOSA-N 2 0 277.412 1.383 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000870869464 771145411 /nfs/dbraw/zinc/14/54/11/771145411.db2.gz TWBVBVUONQZMKH-WOSRLPQWSA-N 2 0 277.412 1.104 10 0 CDAERP CCc1noc([C@@H]2CC[C@H]([NH2+][C@H]3CCC[C@@H]3C[NH3+])C2)n1 ZINC000925872877 771269975 /nfs/dbraw/zinc/26/99/75/771269975.db2.gz KQKRBLATPYEHCL-NDBYEHHHSA-N 2 0 278.400 1.985 10 0 CDAERP COC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)[C@H]1CCCOC1 ZINC000925781056 771270914 /nfs/dbraw/zinc/27/09/14/771270914.db2.gz WHIOETVWGVQHFZ-IGQOVBAYSA-N 2 0 268.401 1.288 10 0 CDAERP C[C@@H]1CCC[C@](CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)([NH+](C)C)C1 ZINC000870871762 771279212 /nfs/dbraw/zinc/27/92/12/771279212.db2.gz MQRXWQHGGYQIAH-BJMQQELFSA-N 2 0 293.455 1.741 10 0 CDAERP CC[NH+](CC)[C@@H](CNC(=[NH2+])N1CCO[C@H](C)C1)CC(C)C ZINC000848984104 771334984 /nfs/dbraw/zinc/33/49/84/771334984.db2.gz OLRQTLCOZSFWSB-HUUCEWRRSA-N 2 0 298.475 1.988 10 0 CDAERP C[NH2+]CCCC(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000870990759 771471557 /nfs/dbraw/zinc/47/15/57/771471557.db2.gz BDRDYVGOFRWQBZ-AWEZNQCLSA-N 2 0 255.406 1.210 10 0 CDAERP C(C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1)O[C@H]1CCOC1 ZINC000724949483 771518971 /nfs/dbraw/zinc/51/89/71/771518971.db2.gz SEWZJTFLSVRHAN-HOTGVXAUSA-N 2 0 282.428 1.504 10 0 CDAERP CCC[N@@H+]1CC[C@@H](NC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000851677831 771538085 /nfs/dbraw/zinc/53/80/85/771538085.db2.gz XISHLKRWQUMYTK-GDBMZVCRSA-N 2 0 294.443 1.256 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000870994768 771544280 /nfs/dbraw/zinc/54/42/80/771544280.db2.gz UYWCKVCEHWIAAJ-FZMZJTMJSA-N 2 0 255.406 1.337 10 0 CDAERP F[C@H](c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1)[C@H]1CC[NH2+]C1 ZINC000871801875 771662654 /nfs/dbraw/zinc/66/26/54/771662654.db2.gz YXHDNECWWWVBQZ-AZWZAMPBSA-N 2 0 280.347 1.688 10 0 CDAERP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CC[NH+](CCCC2CC2)CC1 ZINC000866668316 771708856 /nfs/dbraw/zinc/70/88/56/771708856.db2.gz CDJQQLBCXQUHGD-LSDHHAIUSA-N 2 0 293.411 1.434 10 0 CDAERP C[NH+](C)C[C@@](C)(O)C[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000227975980 771712926 /nfs/dbraw/zinc/71/29/26/771712926.db2.gz WFPIGWMGYMVRGS-KBPBESRZSA-N 2 0 270.417 1.380 10 0 CDAERP CC1(C)C[C@@H]([NH2+]CC2(N3CCOCC3)CC2)C[C@@H]([NH3+])C1 ZINC000925653319 771716465 /nfs/dbraw/zinc/71/64/65/771716465.db2.gz XDYQOBXMGNQIFF-KGLIPLIRSA-N 2 0 281.444 1.347 10 0 CDAERP CC[C@@H]1C[C@@H](C[NH2+][C@@H]2CC23CC[NH2+]CC3)CCO1 ZINC000841079839 771803418 /nfs/dbraw/zinc/80/34/18/771803418.db2.gz PKCKZSVMFMJHBU-BFHYXJOUSA-N 2 0 252.402 1.923 10 0 CDAERP CC(C)(C)OC(=O)NCC1(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000838864005 771810924 /nfs/dbraw/zinc/81/09/24/771810924.db2.gz LDZBVGGKDHBDIH-STQMWFEESA-N 2 0 295.427 1.443 10 0 CDAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H]3C[C@@H]32)CC1 ZINC000800366365 771834617 /nfs/dbraw/zinc/83/46/17/771834617.db2.gz AJGOFHUWUKHMNH-CABCVRRESA-N 2 0 251.418 1.497 10 0 CDAERP C[C@@H]1CCC[N@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)[C@H]1CC[NH3+] ZINC000724591387 771852796 /nfs/dbraw/zinc/85/27/96/771852796.db2.gz OIRAXVKPEAQIRP-NIFZNCRKSA-N 2 0 268.401 1.240 10 0 CDAERP O=C(CCC12CC(C1)C[NH2+]2)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000870913646 771853906 /nfs/dbraw/zinc/85/39/06/771853906.db2.gz DBMQDNRKPVRIHG-SIWZUTFBSA-N 2 0 277.412 1.121 10 0 CDAERP C[C@@H]1[C@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)CC[N@@H+]1C ZINC000922291645 771856140 /nfs/dbraw/zinc/85/61/40/771856140.db2.gz FISHVNYXYTWWJM-XSCHDIRWSA-N 2 0 294.443 1.395 10 0 CDAERP CC[NH+](CC)CCCNC(=O)C=C1CC[NH2+]CC1 ZINC000852854832 771863094 /nfs/dbraw/zinc/86/30/94/771863094.db2.gz RHBWEUWJBRQWHO-UHFFFAOYSA-N 2 0 253.390 1.144 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@](C)(O)c1ccc(F)cc1 ZINC000817918760 771878111 /nfs/dbraw/zinc/87/81/11/771878111.db2.gz XGFIQGHEUPVIJQ-CABCVRRESA-N 2 0 284.375 1.377 10 0 CDAERP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723885738 771895741 /nfs/dbraw/zinc/89/57/41/771895741.db2.gz ACADZBMCMRGXII-FRRDWIJNSA-N 2 0 255.406 1.160 10 0 CDAERP Cc1nccn1-c1ncccc1CNC(=O)CC1([NH3+])CC1 ZINC000852861353 771943286 /nfs/dbraw/zinc/94/32/86/771943286.db2.gz CMFLSLLOMBWZCT-UHFFFAOYSA-N 2 0 285.351 1.073 10 0 CDAERP CCCN(C(=O)N[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@H+](C)C1 ZINC000925348764 771943677 /nfs/dbraw/zinc/94/36/77/771943677.db2.gz MXQLEOYZTMIJHF-HZSPNIEDSA-N 2 0 282.432 1.205 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+]CC1(O)CCCCC1 ZINC000819230003 771947647 /nfs/dbraw/zinc/94/76/47/771947647.db2.gz SYHBNNHWECXHSX-UHFFFAOYSA-N 2 0 272.433 1.630 10 0 CDAERP [NH3+]CCCCCCNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000846681048 771949175 /nfs/dbraw/zinc/94/91/75/771949175.db2.gz YFFDAWPEHPBIGM-OLZOCXBDSA-N 2 0 253.390 1.152 10 0 CDAERP Cc1ncc([C@@H](C)[NH2+]CCN2CCC([NH3+])CC2)s1 ZINC000925815989 771961378 /nfs/dbraw/zinc/96/13/78/771961378.db2.gz VKJOUWAFPPSJTN-SNVBAGLBSA-N 2 0 268.430 1.525 10 0 CDAERP CN1CCC[C@@H]([NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)C1=O ZINC000923506746 772027355 /nfs/dbraw/zinc/02/73/55/772027355.db2.gz LSLGUQXSASOIJE-GOEBONIOSA-N 2 0 293.455 1.709 10 0 CDAERP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)(C)CO ZINC000925042792 772090010 /nfs/dbraw/zinc/09/00/10/772090010.db2.gz UOFDAJZXJVCNLE-KGLIPLIRSA-N 2 0 283.460 1.152 10 0 CDAERP O[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)COCC1CC1 ZINC000925616673 772091221 /nfs/dbraw/zinc/09/12/21/772091221.db2.gz NBNHQEREEWKNEX-BRWVUGGUSA-N 2 0 296.455 1.532 10 0 CDAERP C[C@@H](c1cccnc1)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923451036 772094990 /nfs/dbraw/zinc/09/49/90/772094990.db2.gz LBLVHOLOHYPCOJ-DZGCQCFKSA-N 2 0 275.396 1.972 10 0 CDAERP C[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@](C)(C(F)F)O1 ZINC000718013427 772109295 /nfs/dbraw/zinc/10/92/95/772109295.db2.gz KLMGWJYKBYOXHV-SRRSOLGSSA-N 2 0 262.344 1.858 10 0 CDAERP C([C@H]1CCC2(CCOCC2)O1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516293 772179119 /nfs/dbraw/zinc/17/91/19/772179119.db2.gz YELNIUIWVJXFRT-RRFJBIMHSA-N 2 0 280.412 1.256 10 0 CDAERP COC(=O)CCCC[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000707525647 772216150 /nfs/dbraw/zinc/21/61/50/772216150.db2.gz XRNRMDSEAPJKQZ-GXTWGEPZSA-N 2 0 254.374 1.213 10 0 CDAERP C([C@H]1CCCC2(CCC2)O1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000929311684 772231367 /nfs/dbraw/zinc/23/13/67/772231367.db2.gz FXADJBJNNSMDOX-MGPQQGTHSA-N 2 0 250.386 1.629 10 0 CDAERP CC(C)C[C@@H](CCO)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925525861 772236855 /nfs/dbraw/zinc/23/68/55/772236855.db2.gz FJXPAQXFNQUKEP-ZIAGYGMSSA-N 2 0 254.418 1.905 10 0 CDAERP CN1C[C@H](CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1=O ZINC000723547969 772339553 /nfs/dbraw/zinc/33/95/53/772339553.db2.gz OTSYRNNFYJPPBS-BARDWOONSA-N 2 0 279.428 1.365 10 0 CDAERP [NH3+]CCCN(CC1CCCC1)C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870943691 772365691 /nfs/dbraw/zinc/36/56/91/772365691.db2.gz SKMBWYCJZOPPJL-YCPHGPKFSA-N 2 0 279.428 1.481 10 0 CDAERP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](C[C@H]2CC3(CCC3)CO2)CC1 ZINC000872142646 772371661 /nfs/dbraw/zinc/37/16/61/772371661.db2.gz BXRIZPWASJRZQQ-OAGGEKHMSA-N 2 0 294.439 1.774 10 0 CDAERP Cc1c[nH]cc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870023582 772389480 /nfs/dbraw/zinc/38/94/80/772389480.db2.gz DOMVJZLEPDVQDW-ZIAGYGMSSA-N 2 0 292.427 1.135 10 0 CDAERP C[C@@H](CC[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)[NH+](C)C ZINC000922254363 772424474 /nfs/dbraw/zinc/42/44/74/772424474.db2.gz JFWDWONDBYOCPY-PKCACUDHSA-N 2 0 252.402 1.730 10 0 CDAERP COC/C(C)=C/C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000930575759 772435116 /nfs/dbraw/zinc/43/51/16/772435116.db2.gz DMPFPYHNBTULNQ-JVDKPVQESA-N 2 0 252.402 1.997 10 0 CDAERP CC(C)CC[C@H]([NH3+])C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712627867 772437097 /nfs/dbraw/zinc/43/70/97/772437097.db2.gz WHCCHKFDLJYTEX-ZDUSSCGKSA-N 2 0 269.433 1.693 10 0 CDAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CCO[C@@H]1CC1(F)F)CC2 ZINC000923449791 772441046 /nfs/dbraw/zinc/44/10/46/772441046.db2.gz CBANWBQQILNWIY-VXGBXAGGSA-N 2 0 290.354 1.240 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)c2ccc(F)cn2)C1 ZINC000818985373 772461660 /nfs/dbraw/zinc/46/16/60/772461660.db2.gz RZSJEMBZVWZIPK-BBRMVZONSA-N 2 0 295.402 1.964 10 0 CDAERP CC[C@@H]1CCN(C(=[NH2+])NCCNc2cc[nH+]cc2)C1 ZINC000864455091 772489773 /nfs/dbraw/zinc/48/97/73/772489773.db2.gz GILAHTMRUTYXOA-GFCCVEGCSA-N 2 0 261.373 1.172 10 0 CDAERP C([NH2+][C@H]1CCOC12CCCCC2)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000924966752 772493255 /nfs/dbraw/zinc/49/32/55/772493255.db2.gz UUTKWGRPOIFGPH-OAGGEKHMSA-N 2 0 294.439 1.931 10 0 CDAERP [NH3+]CCCCCC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000863576235 772495187 /nfs/dbraw/zinc/49/51/87/772495187.db2.gz VFZQPOXILJXEPO-INIZCTEOSA-N 3 0 283.460 1.596 10 0 CDAERP Cc1cc([C@H]([NH3+])CC(=O)NC(C)(C)C[NH3+])cc(Cl)n1 ZINC000843336644 772540836 /nfs/dbraw/zinc/54/08/36/772540836.db2.gz CMCPPZWAQDHKOK-SNVBAGLBSA-N 2 0 284.791 1.287 10 0 CDAERP Cc1noc(C2CCN(CCC[NH2+]C3CC3)CC2)n1 ZINC000923309762 772560206 /nfs/dbraw/zinc/56/02/06/772560206.db2.gz OIZLRJCNVBMAHI-UHFFFAOYSA-N 2 0 264.373 1.700 10 0 CDAERP COC[C@H](C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)C(C)C ZINC000721917481 772562314 /nfs/dbraw/zinc/56/23/14/772562314.db2.gz IKIKJDYRKOZTJH-SOUVJXGZSA-N 2 0 254.418 1.836 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925702022 772599812 /nfs/dbraw/zinc/59/98/12/772599812.db2.gz JKVNYGHDOYRMLF-MQYQWHSLSA-N 3 0 253.434 1.822 10 0 CDAERP CCO[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)C[NH+](C)C ZINC000925833132 772624876 /nfs/dbraw/zinc/62/48/76/772624876.db2.gz FOWKSMYYVFTVIH-WCXIOVBPSA-N 2 0 297.487 1.854 10 0 CDAERP C[NH2+]C[C@H](C)C(=O)N1c2ccccc2[C@H]([NH3+])C1(C)C ZINC000867988399 772684368 /nfs/dbraw/zinc/68/43/68/772684368.db2.gz LGTCZWZTVDWFLY-GWCFXTLKSA-N 2 0 261.369 1.667 10 0 CDAERP C[C@H](CNC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)[NH+](C)C1CC1 ZINC000868372479 772727738 /nfs/dbraw/zinc/72/77/38/772727738.db2.gz WGAPMGHENQKZIA-IPYPFGDCSA-N 2 0 294.443 1.205 10 0 CDAERP Cc1cc(CC[NH2+]C2CC[NH+](C(C)C)CC2)nn1C ZINC000926913583 772764994 /nfs/dbraw/zinc/76/49/94/772764994.db2.gz DOOLENWKOOTNBR-UHFFFAOYSA-N 2 0 264.417 1.733 10 0 CDAERP CC(C)[NH+]1CCC(N(C)CCC[NH2+]C2CC2)CC1 ZINC000923317689 772768866 /nfs/dbraw/zinc/76/88/66/772768866.db2.gz BJNJDLICMGPDDG-UHFFFAOYSA-N 2 0 253.434 1.933 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)C1 ZINC000715212772 772870683 /nfs/dbraw/zinc/87/06/83/772870683.db2.gz ZQFYZOOGEMKZPW-DCAQKATOSA-N 2 0 289.370 1.063 10 0 CDAERP CCN1C[C@@H](CN2CC[C@@H](C[N@H+](C)CC)C2)OC1=O ZINC000846811071 772887069 /nfs/dbraw/zinc/88/70/69/772887069.db2.gz HJJMMJVZFKTCOG-QWHCGFSZSA-N 2 0 269.389 1.101 10 0 CDAERP CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)C1 ZINC000721940998 772898271 /nfs/dbraw/zinc/89/82/71/772898271.db2.gz DJTNNWDKKRSSFS-APIJFGDWSA-N 2 0 252.402 1.875 10 0 CDAERP Cc1ncc([C@@H](C)[NH2+]CCN2CCC([NH3+])CC2)c(C)n1 ZINC000925815199 772908857 /nfs/dbraw/zinc/90/88/57/772908857.db2.gz OWOPVQFMOKOLSE-LLVKDONJSA-N 2 0 277.416 1.167 10 0 CDAERP CCO[C@@H]1C[N@H+](C[C@H]2CCO[C@@H](CC)C2)C[C@H]1C[NH3+] ZINC000844903874 772908978 /nfs/dbraw/zinc/90/89/78/772908978.db2.gz QPECGBHEAIVAFW-LJISPDSOSA-N 2 0 270.417 1.487 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+]CC[C@H](N(C)C)C(F)(F)F ZINC000925836423 772933412 /nfs/dbraw/zinc/93/34/12/772933412.db2.gz KLBNRTBQMXPVNT-QWRGUYRKSA-N 2 0 269.355 1.976 10 0 CDAERP O=C1O[C@H](C[NH2+][C@@H]2CC[C@H]2C2CC2)CC12CC[NH2+]CC2 ZINC000925851879 772933476 /nfs/dbraw/zinc/93/34/76/772933476.db2.gz SVZMUGYAFPNIRO-MELADBBJSA-N 2 0 278.396 1.450 10 0 CDAERP CC1(O)CCC([NH2+]C[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000703515397 772945486 /nfs/dbraw/zinc/94/54/86/772945486.db2.gz PLGLAJQFSXODPC-SHARSMKWSA-N 2 0 270.417 1.116 10 0 CDAERP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CCO)C2)ccn1 ZINC000856599343 773021528 /nfs/dbraw/zinc/02/15/28/773021528.db2.gz HOLIAIDMBZQAHT-INIZCTEOSA-N 2 0 293.411 1.367 10 0 CDAERP CCCCNC(=O)CC[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923449377 773065136 /nfs/dbraw/zinc/06/51/36/773065136.db2.gz NLPNIOHBJYTZCA-CQSZACIVSA-N 2 0 297.443 1.123 10 0 CDAERP COC(=O)N1CCC[C@H]([NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925565556 773094040 /nfs/dbraw/zinc/09/40/40/773094040.db2.gz UIPSTRFIRBYUST-RWMBFGLXSA-N 2 0 283.416 1.713 10 0 CDAERP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cc(O)cc(F)c1 ZINC000924577521 773104542 /nfs/dbraw/zinc/10/45/42/773104542.db2.gz GEXXCZZAJNHHRU-ZDUSSCGKSA-N 2 0 295.402 1.819 10 0 CDAERP C[C@H](C(=O)N1CCCCCC1)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923499643 773106189 /nfs/dbraw/zinc/10/61/89/773106189.db2.gz MLQXPJWGXUEUHA-KFWWJZLASA-N 2 0 281.444 1.694 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CCOC2CCOCC2)CC[N@@H+]1C ZINC000701396707 773156625 /nfs/dbraw/zinc/15/66/25/773156625.db2.gz XKSFRQXUUXUXNU-OLZOCXBDSA-N 2 0 256.390 1.254 10 0 CDAERP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)C2CC2)C1 ZINC000838865305 773268684 /nfs/dbraw/zinc/26/86/84/773268684.db2.gz RPYIYNDHTNCGFK-DZGCQCFKSA-N 2 0 252.402 1.421 10 0 CDAERP CCN(CC)C(=O)C[C@@H](C)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925796774 773333895 /nfs/dbraw/zinc/33/38/95/773333895.db2.gz DQHQQLFMHFGKQS-MGPQQGTHSA-N 2 0 269.433 1.469 10 0 CDAERP CC1(C)CO[C@@H](C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000872142645 773341710 /nfs/dbraw/zinc/34/17/10/773341710.db2.gz AADNAFGJEJPHGN-ZIAGYGMSSA-N 2 0 297.443 1.121 10 0 CDAERP C[NH+](C)C1(C)CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000871358577 773383519 /nfs/dbraw/zinc/38/35/19/773383519.db2.gz YEKGNCVEFXEPML-DNOWBOINSA-N 2 0 267.417 1.317 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=S)NC1CC[NH+](C)CC1 ZINC000795004739 773391649 /nfs/dbraw/zinc/39/16/49/773391649.db2.gz NAVNFNLHLGIUIG-GFCCVEGCSA-N 2 0 286.489 1.275 10 0 CDAERP CC[C@@H]1CCN(C(=[NH2+])NCC(C)(C)N2CC[NH+](C)CC2)C1 ZINC000864451136 773405732 /nfs/dbraw/zinc/40/57/32/773405732.db2.gz WJYCDNZHJPICHV-CQSZACIVSA-N 2 0 295.475 1.269 10 0 CDAERP C[C@@H](C[NH2+]C[C@@H](O)c1ccc(F)cn1)C[NH+]1CCCCC1 ZINC000818969088 773524635 /nfs/dbraw/zinc/52/46/35/773524635.db2.gz KURVYRDSCIOIFD-XJKSGUPXSA-N 2 0 295.402 1.966 10 0 CDAERP C[C@@H]1COC[C@@H](C)C1[NH2+]CCCN1CCCO[C@H](C)C1 ZINC000926285912 773538472 /nfs/dbraw/zinc/53/84/72/773538472.db2.gz APLSYKUXSBQIHO-RBSFLKMASA-N 2 0 284.444 1.748 10 0 CDAERP CC(C)COC[C@H](O)C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925614910 773548269 /nfs/dbraw/zinc/54/82/69/773548269.db2.gz YAQPNALKJXOUEX-IKGGRYGDSA-N 2 0 298.471 1.778 10 0 CDAERP Cc1ccccc1[C@H](O)C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000848675832 773578838 /nfs/dbraw/zinc/57/88/38/773578838.db2.gz DSVSZGVHAAAPGE-IJEWVQPXSA-N 2 0 262.397 1.958 10 0 CDAERP [NH3+]C[C@H](NC(=O)CCC12CC(C1)C[NH2+]2)C1CCCC1 ZINC000870945870 773656778 /nfs/dbraw/zinc/65/67/78/773656778.db2.gz OQJXXCLABNNGOB-QRJNDHJOSA-N 2 0 265.401 1.152 10 0 CDAERP CC(C)(C[NH3+])C1CC[NH+](C[C@@H](O)CC(F)(F)F)CC1 ZINC000714502442 773666754 /nfs/dbraw/zinc/66/67/54/773666754.db2.gz YXLKGSXIDONSFO-NSHDSACASA-N 2 0 282.350 1.997 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCC2(C)OCCO2)[C@@H]2CCC[C@@H]21 ZINC000796940490 773668012 /nfs/dbraw/zinc/66/80/12/773668012.db2.gz UFVCYGZCQGVGJD-IHRRRGAJSA-N 2 0 268.401 1.602 10 0 CDAERP C[C@@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C)[NH+]1CCCCCC1 ZINC000928440097 773687069 /nfs/dbraw/zinc/68/70/69/773687069.db2.gz ASKWYTITPLGECY-RDBSUJKOSA-N 2 0 267.417 1.460 10 0 CDAERP C(C[NH2+][C@@H]1CC[NH2+]C12CCCC2)COC1CCOCC1 ZINC000925579411 773698866 /nfs/dbraw/zinc/69/88/66/773698866.db2.gz FHCXRDPCINAPPX-OAHLLOKOSA-N 2 0 282.428 1.836 10 0 CDAERP CCC[N@H+](C)CCC(=O)N(C)C1C[NH+](CC(C)C)C1 ZINC001671188422 1166930381 /nfs/dbraw/zinc/93/03/81/1166930381.db2.gz QYUSLYBCJDRXKX-UHFFFAOYSA-N 2 0 269.433 1.517 10 0 CDAERP O=C(N[C@H]1C[C@H](C[NH2+]CCCF)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC001277082228 1167381422 /nfs/dbraw/zinc/38/14/22/1167381422.db2.gz SVAPFSNFFBDUKX-DZKIICNBSA-N 2 0 297.418 1.316 10 0 CDAERP CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2[NH2+]CCCC2(C)C)C1 ZINC001645893427 1167557085 /nfs/dbraw/zinc/55/70/85/1167557085.db2.gz TYTVIWQJGRNRDI-UONOGXRCSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CCC1CCCC1 ZINC001567050488 1168045121 /nfs/dbraw/zinc/04/51/21/1168045121.db2.gz APPJQCKDDXJYGC-CYBMUJFWSA-N 2 0 269.433 1.613 10 0 CDAERP CC(C)[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@@H]2C[NH3+])CC1 ZINC000715101712 913350875 /nfs/dbraw/zinc/35/08/75/913350875.db2.gz QRZNIWOFVCCCKB-ZIAGYGMSSA-N 2 0 267.417 1.160 10 0 CDAERP CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC=C(C)C)[NH+](C)C ZINC001567379379 1168718781 /nfs/dbraw/zinc/71/87/81/1168718781.db2.gz UEFYUQSIXRUZTH-GJZGRUSLSA-N 2 0 281.444 1.873 10 0 CDAERP CC[N@H+](C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001266362473 894570316 /nfs/dbraw/zinc/57/03/16/894570316.db2.gz JMZQMNFXHGHDQO-ZDUSSCGKSA-N 2 0 255.406 1.175 10 0 CDAERP CC/C=C\CC[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001266659511 895711181 /nfs/dbraw/zinc/71/11/81/895711181.db2.gz DRELZKUNCVTSRM-GEXIGZQTSA-N 2 0 267.417 1.485 10 0 CDAERP C[C@@H](F)CC[NH2+]CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001266702232 895863472 /nfs/dbraw/zinc/86/34/72/895863472.db2.gz UJOQIWPRCVAZTH-TZMCWYRMSA-N 2 0 285.407 1.124 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)CC[NH2+]CC=C(Cl)Cl ZINC001266952281 896422985 /nfs/dbraw/zinc/42/29/85/896422985.db2.gz JEPHSCOTEAXMSF-UHFFFAOYSA-N 2 0 296.242 1.695 10 0 CDAERP CCCCOCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001267024949 896589029 /nfs/dbraw/zinc/58/90/29/896589029.db2.gz AKSYFDFJNROFKE-HNNXBMFYSA-N 2 0 297.443 1.089 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001267044373 896626821 /nfs/dbraw/zinc/62/68/21/896626821.db2.gz IJQGPEMEXDHDDL-OAHLLOKOSA-N 2 0 293.455 1.875 10 0 CDAERP CC(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001267046961 896629279 /nfs/dbraw/zinc/62/92/79/896629279.db2.gz IKGIDLBDPCAMGX-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001267181940 897035112 /nfs/dbraw/zinc/03/51/12/897035112.db2.gz QSBDYYLUUBIZPQ-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP COC[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001418834911 897145455 /nfs/dbraw/zinc/14/54/55/897145455.db2.gz UHMGHFHJCJDYEP-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)=CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001267323265 897591009 /nfs/dbraw/zinc/59/10/09/897591009.db2.gz VXLUBLHVOWOMIN-OAHLLOKOSA-N 2 0 279.428 1.627 10 0 CDAERP CCCC[NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001267429269 897894271 /nfs/dbraw/zinc/89/42/71/897894271.db2.gz VNHJBTRCSXNXPU-ZDUSSCGKSA-N 2 0 255.406 1.176 10 0 CDAERP CC[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001567589276 1168876279 /nfs/dbraw/zinc/87/62/79/1168876279.db2.gz GKVNAWZXOPLWAW-CHWSQXEVSA-N 2 0 255.406 1.175 10 0 CDAERP CCC(CC)C[NH2+]CCN(C)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001567597050 1168881253 /nfs/dbraw/zinc/88/12/53/1168881253.db2.gz WRLXUYIGVAONSS-KRWDZBQOSA-N 2 0 295.471 1.957 10 0 CDAERP Cc1ncsc1C[NH2+]CCN(C)C(=O)C[NH+]1CCCC1 ZINC001567606736 1168883895 /nfs/dbraw/zinc/88/38/95/1168883895.db2.gz ZGYQKDLDGJJDEX-UHFFFAOYSA-N 2 0 296.440 1.095 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCCOC ZINC001267534907 898275641 /nfs/dbraw/zinc/27/56/41/898275641.db2.gz GSGYQXBPOCLKPM-GASCZTMLSA-N 2 0 297.443 1.040 10 0 CDAERP CC/C=C/CC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001267679613 899259189 /nfs/dbraw/zinc/25/91/89/899259189.db2.gz SYSVFAABYPGXKT-RGDDUWESSA-N 2 0 279.428 1.485 10 0 CDAERP CC(C)[NH2+]CCC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001267914801 899962676 /nfs/dbraw/zinc/96/26/76/899962676.db2.gz NPIYYPNIQYRUIW-UHFFFAOYSA-N 2 0 269.433 1.565 10 0 CDAERP C[NH+](C)CCC(=O)NCC1C[NH+](CCCC2CCCC2)C1 ZINC001481642275 901581561 /nfs/dbraw/zinc/58/15/61/901581561.db2.gz HVNCPOPRAZIDMQ-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CC[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]C(C)C ZINC001481867344 902242616 /nfs/dbraw/zinc/24/26/16/902242616.db2.gz BHTIZGYLYCQIRB-STQMWFEESA-N 2 0 255.406 1.221 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCCF)CC1 ZINC001482013243 902473635 /nfs/dbraw/zinc/47/36/35/902473635.db2.gz ZNVVQUQBUPWLKK-IHRRRGAJSA-N 2 0 285.407 1.457 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CCC(F)(F)F ZINC001268524116 902504736 /nfs/dbraw/zinc/50/47/36/902504736.db2.gz SNJSFNDSRHSHDG-QUCGXOGASA-N 2 0 293.333 1.295 10 0 CDAERP C[N@H+](CC(=O)N1CCC[C@@H]1C[NH2+]C/C=C\Cl)C1CCC1 ZINC001482058888 902571439 /nfs/dbraw/zinc/57/14/39/902571439.db2.gz NKHDRHQTAMZTTB-SMGNDMQFSA-N 2 0 299.846 1.804 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)CC)[NH+](CC)CC ZINC001268746043 903074470 /nfs/dbraw/zinc/07/44/70/903074470.db2.gz HZFBXVUMCCAFDZ-QWHCGFSZSA-N 2 0 257.422 1.563 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)CCC[NH2+]CCF)[NH+]1CCCC1 ZINC001268962670 903281194 /nfs/dbraw/zinc/28/11/94/903281194.db2.gz VAOIYTARGGTCEW-AWEZNQCLSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CCF)[NH+]1CCCC1 ZINC001270193523 904430300 /nfs/dbraw/zinc/43/03/00/904430300.db2.gz LFCDWHZFHSQSBF-HUUCEWRRSA-N 2 0 299.434 1.657 10 0 CDAERP CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001482293589 904690366 /nfs/dbraw/zinc/69/03/66/904690366.db2.gz XIAYZNVHYUXVNZ-DZGCQCFKSA-N 2 0 281.444 1.850 10 0 CDAERP C[C@H](C[NH2+]C/C=C\Cl)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001482300109 904782987 /nfs/dbraw/zinc/78/29/87/904782987.db2.gz XNYDAXPEPRRWIG-YVNFWLBFSA-N 2 0 287.835 1.660 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CC2CCC2)C1 ZINC001482661928 908135608 /nfs/dbraw/zinc/13/56/08/908135608.db2.gz HVRTZHACMXPLBN-HZPDHXFCSA-N 2 0 293.455 1.661 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001482697999 908294165 /nfs/dbraw/zinc/29/41/65/908294165.db2.gz NLCJJTZNBVHLMJ-HZPDHXFCSA-N 2 0 293.455 1.923 10 0 CDAERP Cc1cc(C[NH2+]CC[C@H](C)NC(=O)CC[NH+](C)C)cs1 ZINC001482867487 908448082 /nfs/dbraw/zinc/44/80/82/908448082.db2.gz ITNCPCNTOBHQMY-LBPRGKRZSA-N 2 0 297.468 1.993 10 0 CDAERP C[C@H](CC[NH2+]Cc1cncs1)NC(=O)C[NH+]1CCCC1 ZINC001482899444 908466317 /nfs/dbraw/zinc/46/63/17/908466317.db2.gz PPJGIYYPABEBJP-GFCCVEGCSA-N 2 0 296.440 1.223 10 0 CDAERP C[C@@H](CC[NH2+]Cc1ccccn1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482899956 908466851 /nfs/dbraw/zinc/46/68/51/908466851.db2.gz ZKDSEJAZKAEJFN-UONOGXRCSA-N 2 0 290.411 1.018 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]C(C)C ZINC001483027492 908719617 /nfs/dbraw/zinc/71/96/17/908719617.db2.gz FKZBLXWWKWJTCW-YVACAVLKSA-N 2 0 281.444 1.777 10 0 CDAERP CC[NH2+]C/C=C/CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001483076988 909286688 /nfs/dbraw/zinc/28/66/88/909286688.db2.gz YVTVTCBWXIVRIY-AATRIKPKSA-N 2 0 267.417 1.389 10 0 CDAERP COC(OC)[C@H](C)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000922312898 921507347 /nfs/dbraw/zinc/50/73/47/921507347.db2.gz CVNNRNXOUVQSEB-NSHDSACASA-N 2 0 276.340 1.364 10 0 CDAERP CCC[NH2+]CCC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001568097440 1169135753 /nfs/dbraw/zinc/13/57/53/1169135753.db2.gz ARQAXPUEGOHVDK-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001422063214 911614213 /nfs/dbraw/zinc/61/42/13/911614213.db2.gz RGXYTWNEAAMDTR-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@H]1C[C@H]([NH2+]CCCF)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001483907884 915203980 /nfs/dbraw/zinc/20/39/80/915203980.db2.gz FSYYDUYCTRLVRQ-DZGCQCFKSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)=CC[NH+]1CC[C@](C)(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001484072461 915395424 /nfs/dbraw/zinc/39/54/24/915395424.db2.gz ZUYKFLCLEWHDFS-INIZCTEOSA-N 2 0 281.444 1.873 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC2CC2)C1 ZINC001484101081 915434297 /nfs/dbraw/zinc/43/42/97/915434297.db2.gz PWLPPEQSFCNCTO-WBVHZDCISA-N 2 0 293.455 1.709 10 0 CDAERP CCCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001484125232 915448560 /nfs/dbraw/zinc/44/85/60/915448560.db2.gz MPSIMSHYNUFVRN-RDJZCZTQSA-N 2 0 295.471 1.957 10 0 CDAERP CC[C@H](F)C[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001493806462 915810169 /nfs/dbraw/zinc/81/01/69/915810169.db2.gz JIMBHWJNPNREJO-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP COCC[N@H+](C)CCCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001484769154 916160558 /nfs/dbraw/zinc/16/05/58/916160558.db2.gz OVOVHBQOSVNKSO-GJZGRUSLSA-N 2 0 299.459 1.286 10 0 CDAERP CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@H]1C ZINC001484988482 916348469 /nfs/dbraw/zinc/34/84/69/916348469.db2.gz XRGVCHVTOGXANZ-ZIAGYGMSSA-N 2 0 269.433 1.706 10 0 CDAERP CCCCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001485302701 916812804 /nfs/dbraw/zinc/81/28/04/916812804.db2.gz NMSOGUJDSUSKHI-GDBMZVCRSA-N 2 0 295.471 1.955 10 0 CDAERP CCCCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001485302703 916814076 /nfs/dbraw/zinc/81/40/76/916814076.db2.gz NMSOGUJDSUSKHI-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP CCCC[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001485348800 916869056 /nfs/dbraw/zinc/86/90/56/916869056.db2.gz BFPUUHLWTFDXOD-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP CC[NH2+][C@H](CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1)C(C)C ZINC001485440017 916971543 /nfs/dbraw/zinc/97/15/43/916971543.db2.gz NDFVFMIASUKONF-HUUCEWRRSA-N 2 0 283.460 1.811 10 0 CDAERP CC[NH2+]CCC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001485745590 917253609 /nfs/dbraw/zinc/25/36/09/917253609.db2.gz WDHHHZSOFKGHQQ-QWHCGFSZSA-N 2 0 255.406 1.223 10 0 CDAERP CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@@H](C)[NH+](C)C ZINC001434413711 917275736 /nfs/dbraw/zinc/27/57/36/917275736.db2.gz GHWMRSOJOHOXEH-QLFBSQMISA-N 2 0 281.444 1.658 10 0 CDAERP CC(C)[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCF ZINC001485792807 917297205 /nfs/dbraw/zinc/29/72/05/917297205.db2.gz QSPUETSHKCISAE-CHWSQXEVSA-N 2 0 273.396 1.028 10 0 CDAERP CC(C)CCC[NH2+][C@@H](C)CN(C)C(=O)Cn1ccnc1 ZINC001485961529 920628098 /nfs/dbraw/zinc/62/80/98/920628098.db2.gz CWKQSWGLYMVDTI-AWEZNQCLSA-N 2 0 280.416 1.756 10 0 CDAERP COC(=O)N1CCC([NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000689544336 936765787 /nfs/dbraw/zinc/76/57/87/936765787.db2.gz ALMTYUAIUUTCMF-NEPJUHHUSA-N 2 0 267.373 1.077 10 0 CDAERP CCN(CC[NH2+]CC1CCC1)C(=O)CC1CC[NH+](C)CC1 ZINC001273645195 923227974 /nfs/dbraw/zinc/22/79/74/923227974.db2.gz MBEQLTAGYGZCCO-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CC/C=C\CC[NH2+][C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001490921531 936832722 /nfs/dbraw/zinc/83/27/22/936832722.db2.gz GNRKMYPOUGWZQH-GZMFDSNMSA-N 2 0 293.455 1.921 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC=C(C)C)C1)[NH+](C)C ZINC001491030535 936844418 /nfs/dbraw/zinc/84/44/18/936844418.db2.gz XXFAWRWUFPHKCU-HZSPNIEDSA-N 2 0 267.417 1.530 10 0 CDAERP CC[C@@H](c1ccc(F)cc1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923461453 923848482 /nfs/dbraw/zinc/84/84/82/923848482.db2.gz NYKKPAPRZNRUKD-HNNXBMFYSA-N 2 0 265.376 1.772 10 0 CDAERP CC(C)C[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001491506624 936926768 /nfs/dbraw/zinc/92/67/68/936926768.db2.gz TWRVOGPVOWVQBB-CHWSQXEVSA-N 2 0 255.406 1.221 10 0 CDAERP CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CCO1 ZINC001273269185 925689407 /nfs/dbraw/zinc/68/94/07/925689407.db2.gz XHFBHRGDMKZYNQ-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP C[C@H]1CCC[N@@H+]1CCNC(=O)N1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001414745294 925907266 /nfs/dbraw/zinc/90/72/66/925907266.db2.gz XLFHVOKHOMAADR-LZWOXQAQSA-N 2 0 294.443 1.064 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001488949846 926760733 /nfs/dbraw/zinc/76/07/33/926760733.db2.gz ZPIARSQIBFBINZ-VOYABRKTSA-N 2 0 287.835 1.565 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CCC1CC1 ZINC001489270715 926861675 /nfs/dbraw/zinc/86/16/75/926861675.db2.gz ALXYGHMPWWJRSV-HIFRSBDPSA-N 2 0 293.455 1.850 10 0 CDAERP CC[NH2+]C[C@](C)(NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001495247449 926936186 /nfs/dbraw/zinc/93/61/86/926936186.db2.gz CHGGCEOKLOQHGB-HOCLYGCPSA-N 2 0 279.428 1.223 10 0 CDAERP CCCC[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001490241765 927048381 /nfs/dbraw/zinc/04/83/81/927048381.db2.gz IBYYVQOBBIVTBF-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[N@H+](C)CCCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001490257481 927063200 /nfs/dbraw/zinc/06/32/00/927063200.db2.gz FNBAISVRVXNUPQ-GJZGRUSLSA-N 2 0 281.444 1.851 10 0 CDAERP CC[NH+]1CCC2(C[C@H]2NC(=O)CCCC[NH+](C)C)CC1 ZINC001490606014 927257048 /nfs/dbraw/zinc/25/70/48/927257048.db2.gz PBDPDFYPBYPHHZ-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP COC(=O)[C@@H](C1CC1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178009 937381173 /nfs/dbraw/zinc/38/11/73/937381173.db2.gz ITWKJYYZEWSGRY-CQSZACIVSA-N 2 0 280.412 1.746 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001319168580 931153422 /nfs/dbraw/zinc/15/34/22/931153422.db2.gz VZCXWPQXHBTMJA-ZIAGYGMSSA-N 2 0 269.433 1.469 10 0 CDAERP CC[C@H](C[NH+]1CCCC1)NC(=O)[C@@H](C)CC[NH+](C)C ZINC001136756969 931336198 /nfs/dbraw/zinc/33/61/98/931336198.db2.gz WXZZFQALROKXCF-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@H](C[NH2+]C/C=C/Cl)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001274791097 931576307 /nfs/dbraw/zinc/57/63/07/931576307.db2.gz AHRPYRFQGLRAMK-BLUMVJBISA-N 2 0 287.835 1.708 10 0 CDAERP C[C@H](C[NH2+]CCCC1CCC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001274884130 931602019 /nfs/dbraw/zinc/60/20/19/931602019.db2.gz YDPDRWNBNQPISM-UKRRQHHQSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H](C[NH2+]CC1=CCCCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001274906642 931605920 /nfs/dbraw/zinc/60/59/20/931605920.db2.gz IRGWCBAHRUAOAU-CQSZACIVSA-N 2 0 293.455 1.923 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC1CC(C[NH2+]CCF)C1 ZINC001275243377 931712335 /nfs/dbraw/zinc/71/23/35/931712335.db2.gz RBZLADNYJVWZKB-RUXDESIVSA-N 2 0 285.407 1.315 10 0 CDAERP CCC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)C[C@H](F)CC ZINC001442951601 931823447 /nfs/dbraw/zinc/82/34/47/931823447.db2.gz NWALCAASZGIIQT-CQSZACIVSA-N 2 0 299.434 1.659 10 0 CDAERP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)[C@@H](C)C[N@@H+]1C ZINC001411937958 932161028 /nfs/dbraw/zinc/16/10/28/932161028.db2.gz LOVAROMRVGDAFV-BARDWOONSA-N 2 0 281.444 1.658 10 0 CDAERP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CCC1CCOCC1 ZINC001448713497 932209891 /nfs/dbraw/zinc/20/98/91/932209891.db2.gz GHVVCDDDZSJBDU-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N[C@@]1(C)C[NH+]2CCC1CC2 ZINC001146874784 932350413 /nfs/dbraw/zinc/35/04/13/932350413.db2.gz VURKTRRAAGQLQW-DOMZBBRYSA-N 2 0 267.417 1.175 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCCC(=O)NC)[C@H](C)C1 ZINC001118365071 937620471 /nfs/dbraw/zinc/62/04/71/937620471.db2.gz DTCFIRTVHCIXEW-OLZOCXBDSA-N 2 0 255.406 1.175 10 0 CDAERP C[C@H]1[NH2+]CCC[C@@H]1NCC[N@H+](C)C1CCCCC1 ZINC000925483276 932891671 /nfs/dbraw/zinc/89/16/71/932891671.db2.gz YDIMQANOPUDNOS-HIFRSBDPSA-N 2 0 253.434 1.981 10 0 CDAERP CC1(C)[C@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925726226 932932772 /nfs/dbraw/zinc/93/27/72/932932772.db2.gz GUSYZEUVXZNEQW-GTDBDLECSA-N 3 0 277.456 1.883 10 0 CDAERP CC(C)[C@@H](O)CC[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001413095207 935900623 /nfs/dbraw/zinc/90/06/23/935900623.db2.gz YOEPRKWKOPHXDL-INIZCTEOSA-N 2 0 298.471 1.706 10 0 CDAERP CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001568685348 1169430768 /nfs/dbraw/zinc/43/07/68/1169430768.db2.gz VSJNCFYGLWRNHK-UONOGXRCSA-N 2 0 269.433 1.754 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH+]2CCCCC2)C1 ZINC001362051760 970822062 /nfs/dbraw/zinc/82/20/62/970822062.db2.gz DSWGYMWFBQJRNJ-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCOCCCO ZINC000423115076 941668035 /nfs/dbraw/zinc/66/80/35/941668035.db2.gz XCIPPWONPOLRCI-KGLIPLIRSA-N 2 0 258.406 1.286 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H](CC[NH2+]CCCF)C1 ZINC001280308570 942427971 /nfs/dbraw/zinc/42/79/71/942427971.db2.gz UOWIOGMOJKCKPL-AWEZNQCLSA-N 2 0 287.423 1.514 10 0 CDAERP CCCC[NH2+][C@@]1(CO)CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001281184868 942546905 /nfs/dbraw/zinc/54/69/05/942546905.db2.gz OUAAHAJWVIZHGV-INIZCTEOSA-N 2 0 299.459 1.071 10 0 CDAERP CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CCCF)[NH+](C)C ZINC001281890276 942628164 /nfs/dbraw/zinc/62/81/64/942628164.db2.gz IOSARSOCHNXZLA-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP COCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001281930684 942633714 /nfs/dbraw/zinc/63/37/14/942633714.db2.gz VDUQJWZOTGOEGU-CABCVRRESA-N 2 0 297.443 1.040 10 0 CDAERP CC(C)[NH2+]CC1CC(NC(=O)CCC[NH+](C)C)C1 ZINC001282045646 942650559 /nfs/dbraw/zinc/65/05/59/942650559.db2.gz JOGLUPIZGFUKCL-UHFFFAOYSA-N 2 0 255.406 1.221 10 0 CDAERP CC(C)=CC[NH+]1CC([C@@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001282716471 942744419 /nfs/dbraw/zinc/74/44/19/942744419.db2.gz KTUXDTHEUMRUPM-CQSZACIVSA-N 2 0 293.455 1.873 10 0 CDAERP CC(C)[N@H+](C)CCOCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001283415456 942894072 /nfs/dbraw/zinc/89/40/72/942894072.db2.gz DMPIGQOSISXQRR-UHFFFAOYSA-N 2 0 299.459 1.191 10 0 CDAERP CC[NH2+][C@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)C(C)C ZINC001283449692 942898919 /nfs/dbraw/zinc/89/89/19/942898919.db2.gz OHGMIFBQDFPMKC-ZIAGYGMSSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)[NH2+]CCCOCCNC(=O)C12CCC[NH+]1CCC2 ZINC001283473118 942903851 /nfs/dbraw/zinc/90/38/51/942903851.db2.gz TZCQWEDBIBBYCO-UHFFFAOYSA-N 2 0 297.443 1.136 10 0 CDAERP CC[N@@H+]1CC[C@@H]1C(=O)N1CCC(C[NH+](C)C(C)C)CC1 ZINC001362153206 970953134 /nfs/dbraw/zinc/95/31/34/970953134.db2.gz WQBWSBFJSCQUQC-OAHLLOKOSA-N 2 0 281.444 1.659 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]CCF)C(C)(C)C)C1 ZINC001284652028 943234676 /nfs/dbraw/zinc/23/46/76/943234676.db2.gz DCYBBBUSCRTGSC-VXGBXAGGSA-N 2 0 273.396 1.028 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)OCCC[NH+]1CCO[C@@H](C)C1 ZINC001263605132 943908775 /nfs/dbraw/zinc/90/87/75/943908775.db2.gz OSRNIPITKOJIDI-LSDHHAIUSA-N 2 0 298.427 1.513 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001263836537 943995945 /nfs/dbraw/zinc/99/59/45/943995945.db2.gz CJJFMVPMJXPRTI-OWCLPIDISA-N 2 0 293.455 1.921 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCCF)C1 ZINC001263851880 944004169 /nfs/dbraw/zinc/00/41/69/944004169.db2.gz XNXUDJRHVXADFJ-ZNMIVQPWSA-N 2 0 299.434 1.705 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCF ZINC001264564183 944149680 /nfs/dbraw/zinc/14/96/80/944149680.db2.gz JEPFJKLEUCLWEY-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP COC[C@H](C)[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001265844990 944537362 /nfs/dbraw/zinc/53/73/62/944537362.db2.gz ABFHVRYMNOCDPQ-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP COCCC[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001266119665 944692822 /nfs/dbraw/zinc/69/28/22/944692822.db2.gz JRUZVWIYTLRXLL-OAHLLOKOSA-N 2 0 297.443 1.042 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001479416274 971322393 /nfs/dbraw/zinc/32/23/93/971322393.db2.gz XYQWVHZWKSVHIE-HDJSIYSDSA-N 2 0 267.417 1.367 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@]1(C)CC[NH+](CCCCCF)C1 ZINC001278414872 947812237 /nfs/dbraw/zinc/81/22/37/947812237.db2.gz UJTCEJIVEAWCDZ-ZBFHGGJFSA-N 2 0 299.434 1.801 10 0 CDAERP O=C(NC[C@@H]([NH2+]C/C=C/Cl)C1CC1)C12CC[NH+](CC1)C2 ZINC001480059824 971559097 /nfs/dbraw/zinc/55/90/97/971559097.db2.gz KAJGEMIICXAGCM-WZIBOORMSA-N 2 0 297.830 1.319 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001480138611 971598959 /nfs/dbraw/zinc/59/89/59/971598959.db2.gz IZDUJEJZTLKOJC-NGFQHRJXSA-N 2 0 297.418 1.313 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CCF)C1 ZINC001480287390 971658561 /nfs/dbraw/zinc/65/85/61/971658561.db2.gz YMVCXKGDFCGGSF-HUUCEWRRSA-N 2 0 299.434 1.659 10 0 CDAERP CC[NH2+]C[C@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001480366101 971689616 /nfs/dbraw/zinc/68/96/16/971689616.db2.gz SDWNJAAUEVMHDR-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP C[NH+](C)C1(C(=O)N2CCN3C[C@@H](F)C[C@H]3C2)CCCC1 ZINC001362912685 971721792 /nfs/dbraw/zinc/72/17/92/971721792.db2.gz HDKIKAXCBHTCMN-STQMWFEESA-N 2 0 283.391 1.115 10 0 CDAERP CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C(C)(C)C1 ZINC001362974703 971778026 /nfs/dbraw/zinc/77/80/26/971778026.db2.gz WZVLXVHKVXSVMP-KFWWJZLASA-N 2 0 295.471 1.953 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001480616353 971809431 /nfs/dbraw/zinc/80/94/31/971809431.db2.gz KTJYZMLLCLBKSY-HNNXBMFYSA-N 2 0 293.455 1.853 10 0 CDAERP CC(C)[C@H](C(=O)N1CC[C@@H](C[NH2+]CCC2CC2)C1)[NH+](C)C ZINC001480663215 971829619 /nfs/dbraw/zinc/82/96/19/971829619.db2.gz GAPNIIDPFPCXQK-JKSUJKDBSA-N 2 0 295.471 1.811 10 0 CDAERP CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001480663747 971831158 /nfs/dbraw/zinc/83/11/58/971831158.db2.gz MPHRHVNUBRSXRA-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CCCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001480829949 971898619 /nfs/dbraw/zinc/89/86/19/971898619.db2.gz HIPFHUGEJVTIIG-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@H](C(=O)N[C@@]1(C)CC[N@H+](CC(C)C)C1)[NH+](C)C ZINC001324661499 953504044 /nfs/dbraw/zinc/50/40/44/953504044.db2.gz NTESAWBMSSVYFV-HIFRSBDPSA-N 2 0 269.433 1.563 10 0 CDAERP CCCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001325596548 953978975 /nfs/dbraw/zinc/97/89/75/953978975.db2.gz RHJSHCYYVQLHTF-GJZGRUSLSA-N 2 0 283.460 1.812 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001493213153 971985913 /nfs/dbraw/zinc/98/59/13/971985913.db2.gz ZATKMMVGTCVVSV-KBPBESRZSA-N 2 0 299.434 1.657 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CC[C@H]([NH+]3CCC3)C2)C1 ZINC001364087988 954188059 /nfs/dbraw/zinc/18/80/59/954188059.db2.gz OBOMEIFGXTXJFI-ZNMIVQPWSA-N 2 0 279.428 1.413 10 0 CDAERP CCN1CC[C@@H]1C(=O)N1CCCC[C@H]1[C@H](C)C[NH+](C)C ZINC001364176313 954287026 /nfs/dbraw/zinc/28/70/26/954287026.db2.gz CUXBHHNQHRAITR-QLFBSQMISA-N 2 0 281.444 1.659 10 0 CDAERP C[C@@H](CCNC(=O)C1CC[NH+](C)CC1)[NH2+]CCCF ZINC001328400537 955285270 /nfs/dbraw/zinc/28/52/70/955285270.db2.gz XZSZEXQBXYGZCK-LBPRGKRZSA-N 2 0 273.396 1.172 10 0 CDAERP CC(C)[NH2+]C[C@@](C)(NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001421545022 955401103 /nfs/dbraw/zinc/40/11/03/955401103.db2.gz QNAHTHWCICAXLJ-XNRPHZJLSA-N 2 0 281.444 1.610 10 0 CDAERP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCC[C@@]3(CCOC3)O2)C1 ZINC001421552555 955405254 /nfs/dbraw/zinc/40/52/54/955405254.db2.gz ABIJDXIBXMBLEG-BBWFWOEESA-N 2 0 296.455 1.988 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001491801243 955441369 /nfs/dbraw/zinc/44/13/69/955441369.db2.gz YUZRCWLVJGFFLC-JKSUJKDBSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC1CC(C[NH2+]C/C=C/Cl)C1 ZINC001328962106 955582619 /nfs/dbraw/zinc/58/26/19/955582619.db2.gz YQSCWGMWPHCPCY-SNAWJCMRSA-N 2 0 287.835 1.564 10 0 CDAERP C[C@@H](C[NH2+]CC1CC2(CCC2)C1)N(C)C(=O)CC[NH+](C)C ZINC001421924810 955654362 /nfs/dbraw/zinc/65/43/62/955654362.db2.gz DBQKSRMWDCNEHV-AWEZNQCLSA-N 2 0 295.471 1.955 10 0 CDAERP CN(CC[NH2+]Cc1ccsc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001493793972 972116103 /nfs/dbraw/zinc/11/61/03/972116103.db2.gz QATNXUPNOPDBRT-ZDUSSCGKSA-N 2 0 281.425 1.248 10 0 CDAERP C[C@H](C[NH2+]CC1CC(C)(C)C1)N(C)C(=O)CC[NH+](C)C ZINC001421945152 955668383 /nfs/dbraw/zinc/66/83/83/955668383.db2.gz ZDRRMGJXHNUNMZ-CYBMUJFWSA-N 2 0 283.460 1.811 10 0 CDAERP CCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001422047604 955718614 /nfs/dbraw/zinc/71/86/14/955718614.db2.gz FOTZMLIYHYMJGF-ZIAGYGMSSA-N 2 0 281.444 1.707 10 0 CDAERP C([C@@H]1C[C@@]12CCOC2)[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001365328748 955902800 /nfs/dbraw/zinc/90/28/00/955902800.db2.gz INWDCNYQVYBTMK-WMLDXEAASA-N 2 0 294.439 1.646 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ocnc1C ZINC001422400953 955982295 /nfs/dbraw/zinc/98/22/95/955982295.db2.gz ODPYWXVAAIWMPJ-RYUDHWBXSA-N 2 0 296.415 1.308 10 0 CDAERP CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001422437663 956001330 /nfs/dbraw/zinc/00/13/30/956001330.db2.gz DLVHOAGKJSIMLB-CQSZACIVSA-N 2 0 281.444 1.422 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCCc2cn(C)cn2)C1 ZINC001365641105 956257078 /nfs/dbraw/zinc/25/70/78/956257078.db2.gz BMWNGKZDFUPFKK-AWEZNQCLSA-N 2 0 293.415 1.087 10 0 CDAERP CC[NH+]1CC([C@H](C)NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001330083738 956267470 /nfs/dbraw/zinc/26/74/70/956267470.db2.gz ANBMQHINMAQXAM-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001494080428 972172013 /nfs/dbraw/zinc/17/20/13/972172013.db2.gz VNCXRIZWQXGZLT-KGLIPLIRSA-N 2 0 267.417 1.176 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@@H](C)C1C[NH+](C(C)C)C1)[NH+]1CCCC1 ZINC001422760195 956312303 /nfs/dbraw/zinc/31/23/03/956312303.db2.gz HVBPLGXUJIWFSV-HOCLYGCPSA-N 2 0 295.471 1.952 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001365894588 956427437 /nfs/dbraw/zinc/42/74/37/956427437.db2.gz HIASYWCKGMRBBC-ZNMIVQPWSA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CCC[N@H+](CCC(C)C)C1)[NH+](C)C ZINC001365940673 956461862 /nfs/dbraw/zinc/46/18/62/956461862.db2.gz PXNWJSIXANGGAH-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccns2)C1 ZINC001366103233 956564261 /nfs/dbraw/zinc/56/42/61/956564261.db2.gz FUAHGCKDAXDSLB-LBPRGKRZSA-N 2 0 296.440 1.174 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCF)C2)C1 ZINC001330685732 956565173 /nfs/dbraw/zinc/56/51/73/956565173.db2.gz BJOPLWWLBZAYPS-TUVASFSCSA-N 2 0 299.434 1.561 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]C/C=C\Cl)C1 ZINC001366131521 956588621 /nfs/dbraw/zinc/58/86/21/956588621.db2.gz NDLJIYXTWPDXCB-HMVSXZRPSA-N 2 0 273.808 1.316 10 0 CDAERP CC[C@@H](C(=O)NC[C@H]1CC[N@@H+]1CC(C)C)[NH+](CC)CC ZINC001423131663 956611618 /nfs/dbraw/zinc/61/16/18/956611618.db2.gz BSOLAFGTSIFLOU-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1CC[C@@H](C)F ZINC001423132589 956615069 /nfs/dbraw/zinc/61/50/69/956615069.db2.gz ACDLFMKOWXZARU-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP C[NH+](C)CCC(=O)NCC1([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001423277075 956702440 /nfs/dbraw/zinc/70/24/40/956702440.db2.gz XSXFBVAAMBFISE-KFWWJZLASA-N 2 0 293.455 1.613 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC1CC1 ZINC001366293904 956716300 /nfs/dbraw/zinc/71/63/00/956716300.db2.gz AFSWZVVGXBFUMT-UKRRQHHQSA-N 2 0 281.444 1.611 10 0 CDAERP CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001423317593 956721032 /nfs/dbraw/zinc/72/10/32/956721032.db2.gz CHVCYWYPRDEPES-GJZGRUSLSA-N 2 0 281.444 1.661 10 0 CDAERP CCCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001423528691 956829093 /nfs/dbraw/zinc/82/90/93/956829093.db2.gz XNHVTZUDVUAMQK-CABCVRRESA-N 2 0 299.459 1.022 10 0 CDAERP CC[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccns1)[NH+](C)C ZINC001366480032 956860137 /nfs/dbraw/zinc/86/01/37/956860137.db2.gz SQNANNVSRHSAPZ-WCQYABFASA-N 2 0 298.456 1.468 10 0 CDAERP CCCC[NH2+][C@@H](CNC(=O)Cc1ncc[nH]1)C1CC1 ZINC001317027405 956929556 /nfs/dbraw/zinc/92/95/56/956929556.db2.gz LJTXCENXDZMYJH-LBPRGKRZSA-N 2 0 264.373 1.237 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)C1CC([NH2+]CCC(C)C)C1 ZINC001423683910 956939032 /nfs/dbraw/zinc/93/90/32/956939032.db2.gz WDEGTYAQMAMEBI-UHFFFAOYSA-N 2 0 283.460 1.953 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CC1CC1 ZINC001316827661 957057336 /nfs/dbraw/zinc/05/73/36/957057336.db2.gz UZVQFIZPMCDGQH-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001424090491 957116961 /nfs/dbraw/zinc/11/69/61/957116961.db2.gz ZUQKJBIUAIJAOU-ZBFHGGJFSA-N 2 0 295.471 1.668 10 0 CDAERP CC[C@@H](C(=O)NCCC[N@H+](C(C)C)C1CC1)[NH+](C)C ZINC001316924354 957127869 /nfs/dbraw/zinc/12/78/69/957127869.db2.gz OCEQYJBBJNGJJE-AWEZNQCLSA-N 2 0 269.433 1.706 10 0 CDAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1([NH2+]CC2CC2)CCC1 ZINC001424208998 957156815 /nfs/dbraw/zinc/15/68/15/957156815.db2.gz AOQTXNWRNYHQDG-KBPBESRZSA-N 2 0 293.455 1.898 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001316984433 957180340 /nfs/dbraw/zinc/18/03/40/957180340.db2.gz KXQSUZIBQCHYLL-ZYDHHDLOSA-N 2 0 279.428 1.627 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]2C[NH+](C)CCCF)C1 ZINC001424705787 957313111 /nfs/dbraw/zinc/31/31/11/957313111.db2.gz LDSQMNKMQBMJEZ-CABCVRRESA-N 2 0 299.434 1.611 10 0 CDAERP CCN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001367076351 957387198 /nfs/dbraw/zinc/38/71/98/957387198.db2.gz IAIBJILTKFZUQW-JKSUJKDBSA-N 2 0 293.455 1.661 10 0 CDAERP CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001317272456 957395638 /nfs/dbraw/zinc/39/56/38/957395638.db2.gz SRJDNAXAPQMUEJ-STQMWFEESA-N 2 0 255.406 1.364 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CC1CC1 ZINC001424935823 957413812 /nfs/dbraw/zinc/41/38/12/957413812.db2.gz GHVBXDOSXBDXQN-UKRRQHHQSA-N 2 0 281.444 1.706 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCNC(=O)[C@H](CC)[NH+](C)C ZINC001317462141 957493336 /nfs/dbraw/zinc/49/33/36/957493336.db2.gz ZFYGFVLMROOZMV-STQMWFEESA-N 2 0 257.422 1.421 10 0 CDAERP C[C@H](F)CC[NH+]1CC([C@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001425246477 957499489 /nfs/dbraw/zinc/49/94/89/957499489.db2.gz CDWXNPZKPWUILJ-STQMWFEESA-N 2 0 287.423 1.513 10 0 CDAERP CC(C)[N@H+](CCF)CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001317685787 957641162 /nfs/dbraw/zinc/64/11/62/957641162.db2.gz DIFMWRSFHJKDEV-ZIAGYGMSSA-N 2 0 287.423 1.513 10 0 CDAERP CC(C)CC[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C ZINC001425965460 957652072 /nfs/dbraw/zinc/65/20/72/957652072.db2.gz ASXCPLNOCCYAFH-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001426136425 957706573 /nfs/dbraw/zinc/70/65/73/957706573.db2.gz JWJXSEKPWWXOCP-CHWSQXEVSA-N 2 0 289.439 1.807 10 0 CDAERP CC(C)[NH2+]CC[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001367196784 957836202 /nfs/dbraw/zinc/83/62/02/957836202.db2.gz WVYHHVDZERVQLU-OAHLLOKOSA-N 2 0 283.460 1.953 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1C[N@H+](CCC(C)(C)C)CCO1 ZINC001367303097 957914368 /nfs/dbraw/zinc/91/43/68/957914368.db2.gz BCVANTBOQKQKGX-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)OCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001333042631 958040283 /nfs/dbraw/zinc/04/02/83/958040283.db2.gz IYALIFPEFSVNHZ-NRXISQOPSA-N 2 0 297.443 1.085 10 0 CDAERP COCC[N@@H+]1CC[C@@H](N(C)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001494830178 972319790 /nfs/dbraw/zinc/31/97/90/972319790.db2.gz NYWGTRSHDNFVTK-HUUCEWRRSA-N 2 0 297.443 1.040 10 0 CDAERP CCOCC[N@H+]1CC=C(CNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001333405243 958319007 /nfs/dbraw/zinc/31/90/07/958319007.db2.gz GCOVFZJVCSAKNT-HNNXBMFYSA-N 2 0 297.443 1.111 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N[C@H](C[NH2+]CC2CC2)C2CC2)C1 ZINC001367923433 958478016 /nfs/dbraw/zinc/47/80/16/958478016.db2.gz SIXLNUPPDOVQOV-UKRRQHHQSA-N 2 0 279.428 1.223 10 0 CDAERP COCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001319486801 958589884 /nfs/dbraw/zinc/58/98/84/958589884.db2.gz RQOVAYOQXGJFNY-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]CCC(F)(F)F)CC1 ZINC001368044952 958601363 /nfs/dbraw/zinc/60/13/63/958601363.db2.gz SEIRSADFGRLFMQ-UHFFFAOYSA-N 2 0 295.349 1.517 10 0 CDAERP CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CCCF)[NH+](C)C ZINC001319560025 958632068 /nfs/dbraw/zinc/63/20/68/958632068.db2.gz JMTJMZOJXDTRGJ-NWDGAFQWSA-N 2 0 261.385 1.123 10 0 CDAERP CCCC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001319709194 958694842 /nfs/dbraw/zinc/69/48/42/958694842.db2.gz BOEARAZVUGJZNY-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)C[NH2+]C[C@@]1(C)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001368197747 958695402 /nfs/dbraw/zinc/69/54/02/958695402.db2.gz PREOPXIHARMPLO-DOTOQJQBSA-N 2 0 295.471 1.812 10 0 CDAERP CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001319860616 958757828 /nfs/dbraw/zinc/75/78/28/958757828.db2.gz HGELMPAMBMAEBU-HUUCEWRRSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1(C[NH+](C)C)CC1 ZINC001368389236 958805154 /nfs/dbraw/zinc/80/51/54/958805154.db2.gz BLDKPLHPZLMZPK-ZIAGYGMSSA-N 2 0 279.428 1.413 10 0 CDAERP CC[C@H](C)C[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CCC1 ZINC001368485374 958893412 /nfs/dbraw/zinc/89/34/12/958893412.db2.gz JZDBZGCCXAEETJ-AWEZNQCLSA-N 2 0 293.455 1.757 10 0 CDAERP CCC[NH2+]C[C@@H](O)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001320242588 959025847 /nfs/dbraw/zinc/02/58/47/959025847.db2.gz NJBAETFAJWVFQU-CQSZACIVSA-N 2 0 299.459 1.116 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001368734283 959091442 /nfs/dbraw/zinc/09/14/42/959091442.db2.gz FBUIFYHYVMCHLG-AWEZNQCLSA-N 2 0 283.460 1.859 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@H]1C ZINC001368797933 959137985 /nfs/dbraw/zinc/13/79/85/959137985.db2.gz YRSHGOTUJKYYGL-MCIONIFRSA-N 2 0 287.423 1.655 10 0 CDAERP C[C@@H](CC[NH2+]C[C@H]1CC(C)(C)CO1)NC(=O)CC[NH+](C)C ZINC001320542445 959228750 /nfs/dbraw/zinc/22/87/50/959228750.db2.gz IBCAJYGAZZFVDJ-UONOGXRCSA-N 2 0 299.459 1.238 10 0 CDAERP COCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001368956453 959328262 /nfs/dbraw/zinc/32/82/62/959328262.db2.gz AAIBMFSZYRVTOW-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)[NH+](C)CC2CC2)C1 ZINC001368972791 959344439 /nfs/dbraw/zinc/34/44/39/959344439.db2.gz COPBGUUJEOJBON-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001369036073 959414637 /nfs/dbraw/zinc/41/46/37/959414637.db2.gz FRUPEGMZMVYRDP-CABCVRRESA-N 2 0 283.460 1.952 10 0 CDAERP CCN(CC[NH2+]Cc1ccsc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001320921083 959460872 /nfs/dbraw/zinc/46/08/72/959460872.db2.gz LOWZDTWRYZRIRB-AWEZNQCLSA-N 2 0 295.452 1.638 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001369296089 959613216 /nfs/dbraw/zinc/61/32/16/959613216.db2.gz WYXNGRKZOUGWPL-ZIAGYGMSSA-N 2 0 281.444 1.565 10 0 CDAERP C([C@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001335191116 959625149 /nfs/dbraw/zinc/62/51/49/959625149.db2.gz ZISQQAGMBRUWSA-RRFJBIMHSA-N 2 0 264.413 1.877 10 0 CDAERP CC(C)=CC[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001321207996 959657624 /nfs/dbraw/zinc/65/76/24/959657624.db2.gz ISIWVIWXOVWYPB-DKLOGILVSA-N 2 0 293.455 1.945 10 0 CDAERP CC(C)C[N@H+](C)CCN(C(=O)C[NH+]1CCCC1)C(C)C ZINC001369533141 959740893 /nfs/dbraw/zinc/74/08/93/959740893.db2.gz RZPYCTMDQLHFMI-UHFFFAOYSA-N 2 0 283.460 1.907 10 0 CDAERP CC[C@H](F)C[NH2+][C@H](CNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001370169090 960015588 /nfs/dbraw/zinc/01/55/88/960015588.db2.gz PHZRCHHTRUNIBB-UONOGXRCSA-N 2 0 299.434 1.703 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)CCC12CC(C1)C[NH2+]2 ZINC001335789959 960025112 /nfs/dbraw/zinc/02/51/12/960025112.db2.gz YTSJBIIABNEBCM-FMPXUHTOSA-N 2 0 265.401 1.152 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C[NH2+]CCc1ccccc1)[NH+](C)C ZINC001322041023 960063383 /nfs/dbraw/zinc/06/33/83/960063383.db2.gz CHVAZGVVNQCXRE-GOEBONIOSA-N 2 0 291.439 1.664 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH+](C)CC=C(C)C ZINC001322274968 960162790 /nfs/dbraw/zinc/16/27/90/960162790.db2.gz SEQNUVXHZFCMNF-AWEZNQCLSA-N 2 0 269.433 1.731 10 0 CDAERP C([C@@H]1CCCO1)[C@@H]1COCCN1C[C@@H]1CCC[NH2+]C1 ZINC001336092340 960198786 /nfs/dbraw/zinc/19/87/86/960198786.db2.gz AMFPDBOGJJLDQG-KFWWJZLASA-N 2 0 268.401 1.256 10 0 CDAERP CN(CCC[NH2+]CCC1CC1)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001322808031 960331806 /nfs/dbraw/zinc/33/18/06/960331806.db2.gz STQRQWZJHGPXAL-KRWDZBQOSA-N 2 0 293.455 1.711 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC2CC(C)C2)[C@@H]1C ZINC001418823267 961069302 /nfs/dbraw/zinc/06/93/02/961069302.db2.gz WWRIKWGGQZJSJC-KNIAUWFNSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001418880868 961128365 /nfs/dbraw/zinc/12/83/65/961128365.db2.gz AFBXDPWRPXPQEK-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP CCC(CC)C[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001419129326 961405755 /nfs/dbraw/zinc/40/57/55/961405755.db2.gz YMFJQIHEDRBKKV-HNNXBMFYSA-N 2 0 283.460 1.907 10 0 CDAERP CCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001419151633 961434248 /nfs/dbraw/zinc/43/42/48/961434248.db2.gz SHHXQHYKWMBNQV-OAHLLOKOSA-N 2 0 281.444 1.661 10 0 CDAERP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccsc1 ZINC001419284724 961581749 /nfs/dbraw/zinc/58/17/49/961581749.db2.gz MYRTZQMHNDZKSH-CQSZACIVSA-N 2 0 295.452 1.828 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001419477420 961747569 /nfs/dbraw/zinc/74/75/69/961747569.db2.gz ZGZDAQNEPPTIMW-SJMDPPEKSA-N 2 0 299.846 1.850 10 0 CDAERP C[C@@H]([NH2+]CCC1CC1)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001419835089 962144339 /nfs/dbraw/zinc/14/43/39/962144339.db2.gz TYTOBTNCOQBVDZ-GDBMZVCRSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001436364142 962211483 /nfs/dbraw/zinc/21/14/83/962211483.db2.gz ADDKSNNJNSEPCE-XHSDSOJGSA-N 2 0 295.471 2.000 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CCCF)[C@@H]1C)[NH+](C)C ZINC001436481567 962277586 /nfs/dbraw/zinc/27/75/86/962277586.db2.gz MZSXJVQXYQPPTK-FRRDWIJNSA-N 2 0 273.396 1.265 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001436695673 962349397 /nfs/dbraw/zinc/34/93/97/962349397.db2.gz UUMXHVNTKGDSJM-GJZGRUSLSA-N 2 0 281.444 1.707 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@H]2C[C@@H]([NH2+]C/C=C/Cl)C2)CC1 ZINC001436968127 962532555 /nfs/dbraw/zinc/53/25/55/962532555.db2.gz ZYTGQILLRHPYIE-FCVNMTFCSA-N 2 0 285.819 1.318 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001437058281 962582979 /nfs/dbraw/zinc/58/29/79/962582979.db2.gz HGXFUWOTQMOVMN-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+](C)Cc2ccsc2)C1 ZINC001420296117 962698868 /nfs/dbraw/zinc/69/88/68/962698868.db2.gz OYUCWDYNTOHGOU-CYBMUJFWSA-N 2 0 295.452 1.638 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]CC1CCCC1)[NH+](C)C ZINC001420365888 962798917 /nfs/dbraw/zinc/79/89/17/962798917.db2.gz PHHHRGTYBHMUJO-UKRRQHHQSA-N 2 0 283.460 1.857 10 0 CDAERP O=C(NCC[C@H]1CC[N@@H+](CCCF)C1)C12CC[NH+](CC1)C2 ZINC001437945560 963249570 /nfs/dbraw/zinc/24/95/70/963249570.db2.gz IXLLUQPUAZMEBA-AWEZNQCLSA-N 2 0 297.418 1.270 10 0 CDAERP CCCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@H+](CCCO)C1 ZINC001420825440 963282004 /nfs/dbraw/zinc/28/20/04/963282004.db2.gz GHRWTLXDGQREMW-HNNXBMFYSA-N 2 0 299.459 1.022 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1C[NH+](CC2CCC2)C1 ZINC001438129768 963334226 /nfs/dbraw/zinc/33/42/26/963334226.db2.gz PRVRUNFRNFAFOP-INIZCTEOSA-N 2 0 293.455 1.709 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+]2CCCC(C)(C)C)C1 ZINC001420903593 963343285 /nfs/dbraw/zinc/34/32/85/963343285.db2.gz MPZBTMOAWGEVGQ-HUUCEWRRSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CC1 ZINC001421021476 963416906 /nfs/dbraw/zinc/41/69/06/963416906.db2.gz IBRMKJBIHRXSRB-GASCZTMLSA-N 2 0 279.428 1.413 10 0 CDAERP CC[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC1CCC1 ZINC001438344487 963425959 /nfs/dbraw/zinc/42/59/59/963425959.db2.gz ZYEUROHGFKULEX-ZFWWWQNUSA-N 2 0 281.444 1.613 10 0 CDAERP CCCC[NH+]1CC(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001421140595 963472906 /nfs/dbraw/zinc/47/29/06/963472906.db2.gz XNWSRBRMFBWEEP-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+]C[C@@H]1CCCCO1 ZINC001438547538 963482441 /nfs/dbraw/zinc/48/24/41/963482441.db2.gz FLHAVSFQPQMMAS-GJZGRUSLSA-N 2 0 299.459 1.238 10 0 CDAERP C[C@@H](C[N@H+](C)CCC(F)(F)F)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001439402673 963751304 /nfs/dbraw/zinc/75/13/04/963751304.db2.gz DBITYGCBHUZVCI-QWRGUYRKSA-N 2 0 295.349 1.327 10 0 CDAERP CCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001439409298 963754253 /nfs/dbraw/zinc/75/42/53/963754253.db2.gz POJFQDNXYYFVRS-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]1CC1CCCC1 ZINC001439565524 963803599 /nfs/dbraw/zinc/80/35/99/963803599.db2.gz VQBVEADUHYCOCP-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001439816556 963866664 /nfs/dbraw/zinc/86/66/64/963866664.db2.gz RVTTZBAXOLEJGM-LSDHHAIUSA-N 2 0 281.444 1.611 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001439847058 963876866 /nfs/dbraw/zinc/87/68/66/963876866.db2.gz FUKOJMNQRSAMLJ-GDBMZVCRSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CC[C@@H](C)F)C[C@@H]2C1 ZINC001440154606 963935757 /nfs/dbraw/zinc/93/57/57/963935757.db2.gz CPRVHZWEQMWCNJ-KFWWJZLASA-N 2 0 299.434 1.467 10 0 CDAERP C[NH+](C)CCCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CC1 ZINC001440188721 963942624 /nfs/dbraw/zinc/94/26/24/963942624.db2.gz IAAPQCCIKDSRPI-HOTGVXAUSA-N 2 0 293.455 1.804 10 0 CDAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC001440588914 964113966 /nfs/dbraw/zinc/11/39/66/964113966.db2.gz KPZFROMYAJTXKH-DZGCQCFKSA-N 2 0 295.471 1.811 10 0 CDAERP C[NH+](C)CCc1cccc(C(=O)NC2CC[NH+](C)CC2)c1 ZINC001440646276 964125796 /nfs/dbraw/zinc/12/57/96/964125796.db2.gz OVFUUDQQVVFHTA-UHFFFAOYSA-N 2 0 289.423 1.615 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)OCC[C@@H]1CC[NH+](C)C1 ZINC001344063682 964224181 /nfs/dbraw/zinc/22/41/81/964224181.db2.gz REGLSOAYQCQVTP-UONOGXRCSA-N 2 0 268.401 1.744 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@H]([NH2+]CC=C(Cl)Cl)C1 ZINC001441353205 964473216 /nfs/dbraw/zinc/47/32/16/964473216.db2.gz OQZDMFDFMNZZCP-JTQLQIEISA-N 2 0 294.226 1.448 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[C@H]2C[C@@H](C)C[N@@H+]2C1)[NH+](C)C ZINC001346164190 964963376 /nfs/dbraw/zinc/96/33/76/964963376.db2.gz OEOVFMYZJGTKRG-SYQHCUMBSA-N 2 0 267.417 1.173 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+](CCC3CC3)C2)C1 ZINC001442890693 965262420 /nfs/dbraw/zinc/26/24/20/965262420.db2.gz MACIUDSXSPZMBX-GDBMZVCRSA-N 2 0 293.455 1.566 10 0 CDAERP C[C@@H](F)CC[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001443335984 965446368 /nfs/dbraw/zinc/44/63/68/965446368.db2.gz PNTSQLDIVZRKAH-KGLIPLIRSA-N 2 0 287.423 1.467 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2C)CC[N@@H+]1C ZINC001347503427 965562461 /nfs/dbraw/zinc/56/24/61/965562461.db2.gz OGATYEFWKQXQHD-MELADBBJSA-N 2 0 267.417 1.317 10 0 CDAERP CC(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC001444897103 965992807 /nfs/dbraw/zinc/99/28/07/965992807.db2.gz UHNDVTKZCHLRSA-GJZGRUSLSA-N 2 0 283.460 1.857 10 0 CDAERP C[C@@H](C(=O)N1CCC(C)(C)[NH2+]C(C)(C)C1)[NH+](C)C ZINC001349765186 966462521 /nfs/dbraw/zinc/46/25/21/966462521.db2.gz DYGXHGJMKSXYJI-NSHDSACASA-N 2 0 255.406 1.316 10 0 CDAERP CC[C@H](F)C[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001446169393 966475526 /nfs/dbraw/zinc/47/55/26/966475526.db2.gz SKIOITRNHSTUQT-UONOGXRCSA-N 2 0 297.418 1.315 10 0 CDAERP CN(C(=O)CC[NH+](C)C)C1C[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC001446371322 966527132 /nfs/dbraw/zinc/52/71/32/966527132.db2.gz IRAQKCXQEGYKGI-KFWWJZLASA-N 2 0 293.455 1.517 10 0 CDAERP CCC[NH2+]C1(CNC(=O)C23CCC[NH+](CCC2)C3)CCC1 ZINC001447212050 966724837 /nfs/dbraw/zinc/72/48/37/966724837.db2.gz FYDBBTWJBRAJLA-UHFFFAOYSA-N 2 0 293.455 1.901 10 0 CDAERP CC(C)CC[NH2+][C@H]1CN(C(=O)CCc2c[nH]cn2)C[C@H]1C ZINC001447543936 966813736 /nfs/dbraw/zinc/81/37/36/966813736.db2.gz MRAYSWQMXRQWGJ-HIFRSBDPSA-N 2 0 292.427 1.825 10 0 CDAERP Cc1cc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CC[NH+](C)C)cs1 ZINC001447897693 966920804 /nfs/dbraw/zinc/92/08/04/966920804.db2.gz INLPYAYRBWHWRR-STQMWFEESA-N 2 0 297.468 1.991 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001447932220 966934175 /nfs/dbraw/zinc/93/41/75/966934175.db2.gz LYWYPQZJJZVVPK-UONOGXRCSA-N 2 0 271.449 1.856 10 0 CDAERP CC(C)CC[N@H+](C)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001448129379 967006884 /nfs/dbraw/zinc/00/68/84/967006884.db2.gz FLABGDKHMKKYCO-HUUCEWRRSA-N 2 0 283.460 1.811 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCC(C)C)[C@@H]1C ZINC001448981052 967321765 /nfs/dbraw/zinc/32/17/65/967321765.db2.gz OPUVWQUOSLEOCA-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CC[N@@H+]1CC[C@]2(NC(=O)CCCn3ccnc3)CCC[C@@H]12 ZINC001449011679 967329368 /nfs/dbraw/zinc/32/93/68/967329368.db2.gz JTUQQBGYSVFBPA-GDBMZVCRSA-N 2 0 290.411 1.796 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC001544362834 967356361 /nfs/dbraw/zinc/35/63/61/967356361.db2.gz JVCFVEFCBPLFIJ-RDBSUJKOSA-N 2 0 269.433 1.373 10 0 CDAERP C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC[NH+](CCF)CC1 ZINC001449374092 967447103 /nfs/dbraw/zinc/44/71/03/967447103.db2.gz PQYINXULQAKQOM-UONOGXRCSA-N 2 0 299.434 1.514 10 0 CDAERP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]CCC(C)(C)C)C1 ZINC001449405322 967453676 /nfs/dbraw/zinc/45/36/76/967453676.db2.gz CCKUYCQWVYWPTO-WLYUNCDWSA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@H](C(=O)NC1(C2CC[NH+](CCF)CC2)CC1)[NH+](C)C ZINC001449415887 967456034 /nfs/dbraw/zinc/45/60/34/967456034.db2.gz ZVRIHSOZWXMHFT-CQSZACIVSA-N 2 0 299.434 1.657 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC001455420546 968707087 /nfs/dbraw/zinc/70/70/87/968707087.db2.gz UAEODZSANIFWNM-RDBSUJKOSA-N 2 0 267.417 1.269 10 0 CDAERP COCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001569561958 1169925317 /nfs/dbraw/zinc/92/53/17/1169925317.db2.gz ADQKZGGEBGMTCV-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC001466489689 969961807 /nfs/dbraw/zinc/96/18/07/969961807.db2.gz QVVRMQDVLTZEEV-JHJVBQTASA-N 2 0 255.406 1.125 10 0 CDAERP C[N@@H+]1C[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@]2(C)C1 ZINC001361663369 970392146 /nfs/dbraw/zinc/39/21/46/970392146.db2.gz QPXIFRYOJDTHEX-HIFRSBDPSA-N 2 0 277.412 1.025 10 0 CDAERP C[NH+](C)CCCNC(=O)[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC001472473527 970652247 /nfs/dbraw/zinc/65/22/47/970652247.db2.gz WLXBSEBNKDSEBO-HOTGVXAUSA-N 2 0 289.423 1.747 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001361951738 970708791 /nfs/dbraw/zinc/70/87/91/970708791.db2.gz IXBUKBAYJZWGMH-RBSFLKMASA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001495588253 972546802 /nfs/dbraw/zinc/54/68/02/972546802.db2.gz OVDYIEOFCFFVND-OAHLLOKOSA-N 2 0 293.455 1.709 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001496229595 972848906 /nfs/dbraw/zinc/84/89/06/972848906.db2.gz JQGDJVMZOSQDQO-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C(C)C ZINC001496575599 972976940 /nfs/dbraw/zinc/97/69/40/972976940.db2.gz PZKJBSBDTVJERA-HUUCEWRRSA-N 2 0 283.460 1.857 10 0 CDAERP C[C@H](CC[NH2+]CC[C@H](C)F)NC(=O)C12CCC[NH+]1CCC2 ZINC001497219369 973249799 /nfs/dbraw/zinc/24/97/99/973249799.db2.gz GJTYFOLSWBVLPN-UONOGXRCSA-N 2 0 299.434 1.847 10 0 CDAERP CCN(CC[NH2+]CC1CC1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001497384047 973325960 /nfs/dbraw/zinc/32/59/60/973325960.db2.gz QUXHXNNXGBGJDI-OAHLLOKOSA-N 2 0 279.428 1.176 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)N2CCC3(C[NH+](C)C3)C2)CC1 ZINC001417732071 973341809 /nfs/dbraw/zinc/34/18/09/973341809.db2.gz IFAOIQDKSIIFRD-UHFFFAOYSA-N 2 0 293.455 1.519 10 0 CDAERP C[N@H+](CCCF)CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001373331192 973366339 /nfs/dbraw/zinc/36/63/39/973366339.db2.gz YDWMOIITSKQURN-UHFFFAOYSA-N 2 0 299.434 1.612 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001373341593 973369628 /nfs/dbraw/zinc/36/96/28/973369628.db2.gz DKYSWQNLJGAIPD-QLFBSQMISA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1CCC[N@H+](CCOC(C)C)C1)[NH+](C)C ZINC001373380043 973404062 /nfs/dbraw/zinc/40/40/62/973404062.db2.gz RFOUQRIEWVRNPP-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)CC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001497584679 973422390 /nfs/dbraw/zinc/42/23/90/973422390.db2.gz BVDOJQRQFSMPEQ-JBZXTQMFSA-N 2 0 281.444 1.635 10 0 CDAERP C[N@H+](CCF)C[C@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001418025011 973534895 /nfs/dbraw/zinc/53/48/95/973534895.db2.gz YMNIGWHZPQLAKE-LSDHHAIUSA-N 2 0 299.434 1.468 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001418056353 973559859 /nfs/dbraw/zinc/55/98/59/973559859.db2.gz ARTGCNLMGLELLO-ZQDZILKHSA-N 2 0 299.434 1.844 10 0 CDAERP C[N@H+](CCC(=O)N[C@H]1C[C@@H]([NH2+]CCF)C1)C1CCCCC1 ZINC001418098023 973584282 /nfs/dbraw/zinc/58/42/82/973584282.db2.gz MVUHTLSGAMFMCE-OKILXGFUSA-N 2 0 299.434 1.847 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001418345138 973758873 /nfs/dbraw/zinc/75/88/73/973758873.db2.gz ROBKNFWRLJDBON-HUUCEWRRSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001418418521 973811699 /nfs/dbraw/zinc/81/16/99/973811699.db2.gz FUOAPRWWWJSNFZ-KGLIPLIRSA-N 2 0 299.459 1.238 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)[C@@H](C)C[NH2+]Cc1cnc(C)o1 ZINC001374307554 973885302 /nfs/dbraw/zinc/88/53/02/973885302.db2.gz QOYKLSHURIQYCT-LBPRGKRZSA-N 2 0 296.415 1.261 10 0 CDAERP CCC[NH2+]C[C@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001498774295 974056412 /nfs/dbraw/zinc/05/64/12/974056412.db2.gz LWDUDJSIUMRNFA-GJZGRUSLSA-N 2 0 281.444 1.755 10 0 CDAERP O=C(NCC1([NH2+]CCF)CC1)C12CCC[NH+](CCC1)C2 ZINC001499261978 974224571 /nfs/dbraw/zinc/22/45/71/974224571.db2.gz SILRZNGOZISXSG-UHFFFAOYSA-N 2 0 283.391 1.070 10 0 CDAERP CC(C)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001375040043 974237201 /nfs/dbraw/zinc/23/72/01/974237201.db2.gz SDGXJNOTJKVVFA-HIFRSBDPSA-N 2 0 281.444 1.421 10 0 CDAERP CC(C)CCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001375090270 974257245 /nfs/dbraw/zinc/25/72/45/974257245.db2.gz RDKIVNZSJXODKB-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001375315409 974328573 /nfs/dbraw/zinc/32/85/73/974328573.db2.gz SSCPFEXPRGFCBU-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP CC(C)CC[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001499926044 974335538 /nfs/dbraw/zinc/33/55/38/974335538.db2.gz DBWXLBQBCCJGNR-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]CCF)C1CCCC1 ZINC001500108089 974375028 /nfs/dbraw/zinc/37/50/28/974375028.db2.gz YAOIBXHATZAZMW-ZDUSSCGKSA-N 2 0 273.396 1.172 10 0 CDAERP C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CC1CC1 ZINC001376753388 974754895 /nfs/dbraw/zinc/75/48/95/974754895.db2.gz SRRPDIWIVLSPRT-ZDUSSCGKSA-N 2 0 279.428 1.367 10 0 CDAERP C[C@H]1CC[C@H](C[NH2+]C2(CNC(=O)CC[NH+](C)C)CCC2)O1 ZINC001376776493 974764034 /nfs/dbraw/zinc/76/40/34/974764034.db2.gz OJOSCFGBXATOMA-UONOGXRCSA-N 2 0 297.443 1.134 10 0 CDAERP C[C@H]1CC[C@@H](C[NH2+]C2(CNC(=O)CC[NH+](C)C)CCC2)O1 ZINC001376776295 974764084 /nfs/dbraw/zinc/76/40/84/974764084.db2.gz OJOSCFGBXATOMA-KBPBESRZSA-N 2 0 297.443 1.134 10 0 CDAERP C[C@@H](CNC(=O)CCC[NH+](C)C)[NH2+]CCC(C)(C)C ZINC001376806292 974778277 /nfs/dbraw/zinc/77/82/77/974778277.db2.gz QZHMFNCYCDBPIV-ZDUSSCGKSA-N 2 0 271.449 1.859 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001502987750 974808525 /nfs/dbraw/zinc/80/85/25/974808525.db2.gz MTDKGXRICJJYHW-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CCOCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001503015422 974809273 /nfs/dbraw/zinc/80/92/73/974809273.db2.gz UDONMDMQGGVXME-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP C[N@H+](CCNC(=O)CC[C@@H]1CCC[NH+]1C)CCC1CC1 ZINC001377173513 974914180 /nfs/dbraw/zinc/91/41/80/974914180.db2.gz MVJVDQOMVAHJKQ-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001377363626 974986816 /nfs/dbraw/zinc/98/68/16/974986816.db2.gz YUTMEEBEYPWLAG-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC1CCC1 ZINC001377433159 975025645 /nfs/dbraw/zinc/02/56/45/975025645.db2.gz PLOYXXGLLSMSHU-GZBFAFLISA-N 2 0 281.444 1.611 10 0 CDAERP C[C@H](F)CC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001377556961 975074857 /nfs/dbraw/zinc/07/48/57/975074857.db2.gz GHPQIDJDDJSIOY-ZDUSSCGKSA-N 2 0 297.418 1.411 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1nccs1 ZINC001377871670 975162273 /nfs/dbraw/zinc/16/22/73/975162273.db2.gz KRIJWXXNUYYKKA-RYUDHWBXSA-N 2 0 298.456 1.468 10 0 CDAERP CC[N@@H+]1CCCCC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001506579290 975181284 /nfs/dbraw/zinc/18/12/84/975181284.db2.gz MJURJALPSGANFO-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CCCCC[NH+]2CCF)C1 ZINC001506577934 975182215 /nfs/dbraw/zinc/18/22/15/975182215.db2.gz DPWWFSGXRJROJU-HUUCEWRRSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)[N@@H+]1CCO[C@@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001506731187 975208789 /nfs/dbraw/zinc/20/87/89/975208789.db2.gz PIBSPRURQFCXPB-INIZCTEOSA-N 2 0 297.443 1.040 10 0 CDAERP CC(C)C[N@@H+]1C[C@H](NC(=O)CCn2ccnc2)C(C)(C)C1 ZINC001506744257 975215047 /nfs/dbraw/zinc/21/50/47/975215047.db2.gz MSFZOVJXUGZCBP-AWEZNQCLSA-N 2 0 292.427 1.756 10 0 CDAERP COC[C@H](C)[NH2+]CC1(NC(=O)CC[NH+](C)C)CCCCC1 ZINC001378401869 975345349 /nfs/dbraw/zinc/34/53/49/975345349.db2.gz PBFYGYMOJUOGTC-AWEZNQCLSA-N 2 0 299.459 1.382 10 0 CDAERP CC(C)C[NH2+]C[C@@](C)(NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001378433391 975349753 /nfs/dbraw/zinc/34/97/53/975349753.db2.gz MUJCFLCRCLIXJX-CZUORRHYSA-N 2 0 281.444 1.469 10 0 CDAERP CC(C)C[NH+]1CC([C@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001378537537 975383379 /nfs/dbraw/zinc/38/33/79/975383379.db2.gz IPJYWHRYIMTZFA-KBPBESRZSA-N 2 0 281.444 1.421 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CC2CCCC2)CN1C(=O)CC[NH+](C)C ZINC001507319878 975413378 /nfs/dbraw/zinc/41/33/78/975413378.db2.gz LJAPJVCONWHCSU-UKRRQHHQSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]CC2CCCC2)CN1C(=O)CC[NH+](C)C ZINC001507319874 975414115 /nfs/dbraw/zinc/41/41/15/975414115.db2.gz LJAPJVCONWHCSU-DZGCQCFKSA-N 2 0 281.444 1.707 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC2(C[NH2+]CC3CC3)CCCC2)C1 ZINC001400992393 975431650 /nfs/dbraw/zinc/43/16/50/975431650.db2.gz QYAKWXPTEKBLQT-OAHLLOKOSA-N 2 0 293.455 1.757 10 0 CDAERP C[C@H](F)CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCCC1 ZINC001378709295 975451408 /nfs/dbraw/zinc/45/14/08/975451408.db2.gz QTGAGMGEVGPALL-UONOGXRCSA-N 2 0 299.434 1.847 10 0 CDAERP CO[C@@H](C)C[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001378799826 975496282 /nfs/dbraw/zinc/49/62/82/975496282.db2.gz AEAHELVTNFZGAU-KBPBESRZSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001397254644 975518581 /nfs/dbraw/zinc/51/85/81/975518581.db2.gz XJNIYODDSHAHLK-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[C@@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]CCF ZINC001378977151 975569969 /nfs/dbraw/zinc/56/99/69/975569969.db2.gz JVEPPQBJLOCEQJ-CYBMUJFWSA-N 2 0 273.396 1.172 10 0 CDAERP CC[NH2+]C1CC(N(C)C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001508111314 975615018 /nfs/dbraw/zinc/61/50/18/975615018.db2.gz OMOCWENSTULZDY-WXRRBKDZSA-N 2 0 273.396 1.265 10 0 CDAERP CC[NH2+]C1CC(N(C)C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001508111313 975615445 /nfs/dbraw/zinc/61/54/45/975615445.db2.gz OMOCWENSTULZDY-BPCQOVAHSA-N 2 0 273.396 1.265 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@H](N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001405116183 975629645 /nfs/dbraw/zinc/62/96/45/975629645.db2.gz HMGNHIWQYVFGCS-KGLIPLIRSA-N 2 0 299.434 1.752 10 0 CDAERP CCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@@H+]([C@@H](C)COC)C1 ZINC001405186116 975664888 /nfs/dbraw/zinc/66/48/88/975664888.db2.gz ADJOFOYTMLAQAX-LSDHHAIUSA-N 2 0 299.459 1.284 10 0 CDAERP CC[NH2+][C@@H]1CC[C@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001397705773 975684447 /nfs/dbraw/zinc/68/44/47/975684447.db2.gz AFTXKQQRUAEBQR-RRFJBIMHSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001405599450 975781293 /nfs/dbraw/zinc/78/12/93/975781293.db2.gz VJYMEOBBIQWVKW-ZNMIVQPWSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+]Cc1nccs1 ZINC001405716826 975829825 /nfs/dbraw/zinc/82/98/25/975829825.db2.gz JHNSYHUVIUYKNT-LBPRGKRZSA-N 2 0 298.456 1.325 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](C[C@@H](C)CC)CCO1 ZINC001405742698 975843876 /nfs/dbraw/zinc/84/38/76/975843876.db2.gz SATYQIONSQXODS-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP Cc1ncccc1C[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001379464678 975856140 /nfs/dbraw/zinc/85/61/40/975856140.db2.gz CFWSADQSWCXTFU-CYBMUJFWSA-N 2 0 290.411 1.080 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CC12CC[NH+](CCCF)CC2 ZINC001389517790 975881420 /nfs/dbraw/zinc/88/14/20/975881420.db2.gz FYIVITPQKZEAPD-ZDUSSCGKSA-N 2 0 285.407 1.268 10 0 CDAERP CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ocnc1C)[NH+](C)C ZINC001405904673 975929578 /nfs/dbraw/zinc/92/95/78/975929578.db2.gz SEAQKVMZNDRCAZ-WCQYABFASA-N 2 0 296.415 1.260 10 0 CDAERP CC[NH+]1CCC2(C[C@@H]2NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001398327357 975947587 /nfs/dbraw/zinc/94/75/87/975947587.db2.gz ICZKGQGXUCOLQW-GJZGRUSLSA-N 2 0 293.455 1.851 10 0 CDAERP CC(C)CC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001405995475 975954758 /nfs/dbraw/zinc/95/47/58/975954758.db2.gz MTROPNRLXSJJEF-LSDHHAIUSA-N 2 0 283.460 1.811 10 0 CDAERP O=C(NC[C@H]([NH2+]CC1CC1)C1CC1)[C@@]12CC[N@H+](C1)CCC2 ZINC001398444709 975988506 /nfs/dbraw/zinc/98/85/06/975988506.db2.gz COJICJUYJNGBRU-RDJZCZTQSA-N 2 0 291.439 1.367 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001398542714 976031235 /nfs/dbraw/zinc/03/12/35/976031235.db2.gz ZJPVZBOJMMKJTK-IHRRRGAJSA-N 2 0 297.418 1.600 10 0 CDAERP CC[C@@H](C)C[N@H+](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001379768857 976059520 /nfs/dbraw/zinc/05/95/20/976059520.db2.gz SWVYAQDGIOAPGF-ZIAGYGMSSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@H](C[N@H+](C)CCCC1CCC1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001379785970 976077254 /nfs/dbraw/zinc/07/72/54/976077254.db2.gz SACIMADGEALEOR-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]CC2CCC2)CCN1C(=O)CC[NH+](C)C ZINC001402055067 976103077 /nfs/dbraw/zinc/10/30/77/976103077.db2.gz RLVMPFCBKUIKJK-ZFWWWQNUSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@H](C)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001398759012 976138854 /nfs/dbraw/zinc/13/88/54/976138854.db2.gz QFGSSWNOLAEMQV-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C[NH2+]CC1CC(F)(F)C1)[NH+](C)C ZINC001406490197 976221737 /nfs/dbraw/zinc/22/17/37/976221737.db2.gz AWQRVZWSYZUUJO-CMPLNLGQSA-N 2 0 291.386 1.466 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]([NH2+]CCC2CC2)C2CC2)C1 ZINC001402321395 976235247 /nfs/dbraw/zinc/23/52/47/976235247.db2.gz DTFABTIZTHKDHD-XJKSGUPXSA-N 2 0 293.455 1.613 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1([NH2+]C/C=C\Cl)CC1 ZINC001380174178 976278762 /nfs/dbraw/zinc/27/87/62/976278762.db2.gz XUOAKHYSLTYZQN-BSBRIBSZSA-N 2 0 299.846 1.850 10 0 CDAERP Cc1ccc(CC[NH2+][C@H](C)CNC(=O)CC[NH+](C)C)cc1 ZINC001390464955 976308491 /nfs/dbraw/zinc/30/84/91/976308491.db2.gz FFEKFBVPTPITJB-OAHLLOKOSA-N 2 0 291.439 1.584 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)C[NH+](C)CC2CC2)C1 ZINC001406644600 976326363 /nfs/dbraw/zinc/32/63/63/976326363.db2.gz HEEGCOFPADFEOO-GOEBONIOSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001402515165 976327860 /nfs/dbraw/zinc/32/78/60/976327860.db2.gz PJCTVMABWOEUGU-BPLDGKMQSA-N 2 0 299.434 1.703 10 0 CDAERP CO[C@H](C)C[NH+]1CCC(C)(NC(=O)C[NH+]2CCCC2)CC1 ZINC001380317486 976349204 /nfs/dbraw/zinc/34/92/04/976349204.db2.gz ZNULCGVFRNPAQI-CQSZACIVSA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001402568008 976365990 /nfs/dbraw/zinc/36/59/90/976365990.db2.gz ARTGCNLMGLELLO-APIJFGDWSA-N 2 0 299.434 1.844 10 0 CDAERP C[C@@H](F)CC[N@H+](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001406700778 976369427 /nfs/dbraw/zinc/36/94/27/976369427.db2.gz SYEAJEVUVUJMGU-CHWSQXEVSA-N 2 0 285.407 1.267 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001399225756 976388773 /nfs/dbraw/zinc/38/87/73/976388773.db2.gz SCYWHPZOIAOKHB-HNNXBMFYSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001380396637 976407880 /nfs/dbraw/zinc/40/78/80/976407880.db2.gz MHBWJEQLKWMRAS-IIAWOOMASA-N 2 0 281.444 1.563 10 0 CDAERP CC[C@@H](C(=O)N(C)CCC[N@H+](C)C[C@H]1CCOC1)[NH+](C)C ZINC001402659592 976429082 /nfs/dbraw/zinc/42/90/82/976429082.db2.gz VOTDSCJVDDTNFJ-CABCVRRESA-N 2 0 299.459 1.143 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC[C@H](C)F)CC1 ZINC001406928625 976484013 /nfs/dbraw/zinc/48/40/13/976484013.db2.gz ZLDHWLVYSDZHOW-UONOGXRCSA-N 2 0 299.434 1.847 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001407103379 976555419 /nfs/dbraw/zinc/55/54/19/976555419.db2.gz IYPBPPGMTACQCT-GJZGRUSLSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)[NH2+]C[C@]1(C)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001407233892 976612951 /nfs/dbraw/zinc/61/29/51/976612951.db2.gz JLAJVAFPRPKKBZ-ZBFHGGJFSA-N 2 0 281.444 1.565 10 0 CDAERP C[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)CC1CCCCC1 ZINC001399639843 976614548 /nfs/dbraw/zinc/61/45/48/976614548.db2.gz KWNOYFWTWRYBKY-UHFFFAOYSA-N 2 0 293.455 1.711 10 0 CDAERP C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]CCC(F)(F)F ZINC001403039970 976673838 /nfs/dbraw/zinc/67/38/38/976673838.db2.gz JZTXSTAJQUIOSQ-WDEREUQCSA-N 2 0 297.365 1.763 10 0 CDAERP Cc1ccc(C)c(C[NH2+][C@@H](C)CNC(=O)CC[NH+](C)C)c1 ZINC001403056940 976686202 /nfs/dbraw/zinc/68/62/02/976686202.db2.gz YIDJBKRBGVULHA-HNNXBMFYSA-N 2 0 291.439 1.849 10 0 CDAERP CC[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)CC1CCC1 ZINC001399813404 976688557 /nfs/dbraw/zinc/68/85/57/976688557.db2.gz ZFYYPOKRJPFQSZ-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](CCF)C1)[NH+](CC)CC ZINC001391099226 976691299 /nfs/dbraw/zinc/69/12/99/976691299.db2.gz QXWAXXWDCDJLAR-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC1CC1 ZINC001407682152 976732654 /nfs/dbraw/zinc/73/26/54/976732654.db2.gz ZMFVIHOUWOMOOO-CVEARBPZSA-N 2 0 293.455 1.804 10 0 CDAERP Cc1cc(C[NH2+][C@@H](C)CNC(=O)C[NH+]2CCCC2)cs1 ZINC001403144027 976759743 /nfs/dbraw/zinc/75/97/43/976759743.db2.gz SMEMJXUDLVVRRG-LBPRGKRZSA-N 2 0 295.452 1.747 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]C/C=C/Cl)C1 ZINC001403165918 976775837 /nfs/dbraw/zinc/77/58/37/976775837.db2.gz ACHKSRYWURQZHV-QFVHEQCKSA-N 2 0 299.846 1.804 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)CCC(F)(F)F ZINC001403199964 976807597 /nfs/dbraw/zinc/80/75/97/976807597.db2.gz LIWCHLRWPJYWQG-GHMZBOCLSA-N 2 0 295.349 1.327 10 0 CDAERP COCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001403196254 976808932 /nfs/dbraw/zinc/80/89/32/976808932.db2.gz QAQKQMXXVNUTNO-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP CC[NH2+][C@H](CCN(C)C(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001403235887 976830477 /nfs/dbraw/zinc/83/04/77/976830477.db2.gz AIGVGVZHDLNNBV-CQSZACIVSA-N 2 0 281.444 1.565 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@H]1CC[NH+](CC2CC2)C1 ZINC001400162310 976901697 /nfs/dbraw/zinc/90/16/97/976901697.db2.gz MVAQCAFRETXDNK-JKSUJKDBSA-N 2 0 293.455 1.709 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001391583622 976974638 /nfs/dbraw/zinc/97/46/38/976974638.db2.gz KZMPGHKPOHRLEA-CQSZACIVSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)CC[NH+]1CC([C@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001381810344 977034761 /nfs/dbraw/zinc/03/47/61/977034761.db2.gz XRTRNTHTTKIHCO-AWEZNQCLSA-N 2 0 295.471 1.811 10 0 CDAERP CC[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[NH2+]Cc1cnc(C)o1 ZINC001391721822 977067072 /nfs/dbraw/zinc/06/70/72/977067072.db2.gz PAIHXPMOSPNTOC-JSGCOSHPSA-N 2 0 296.415 1.308 10 0 CDAERP CC[C@H](C(=O)NCC[N@H+](C)CCC(C)(C)C)[NH+](C)C ZINC001403591822 977089004 /nfs/dbraw/zinc/08/90/04/977089004.db2.gz PYLFIQUBHQPTME-CYBMUJFWSA-N 2 0 271.449 1.811 10 0 CDAERP CC[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)CC[C@@H](C)F ZINC001403927575 977265718 /nfs/dbraw/zinc/26/57/18/977265718.db2.gz VXIGCURAQIYWIF-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)OCC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001404032870 977314802 /nfs/dbraw/zinc/31/48/02/977314802.db2.gz YDPNQNJMQCSSKK-OAHLLOKOSA-N 2 0 299.459 1.332 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001404073542 977329723 /nfs/dbraw/zinc/32/97/23/977329723.db2.gz RJRKVFUXSHIQCN-AWEZNQCLSA-N 2 0 283.460 1.812 10 0 CDAERP CN(CC[N@H+](C)CCC1CCCC1)C(=O)CC[NH+](C)C ZINC001392306069 977400467 /nfs/dbraw/zinc/40/04/67/977400467.db2.gz XAQZRHDTYOKLQB-UHFFFAOYSA-N 2 0 283.460 1.909 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC1CCC1 ZINC001392488240 977458682 /nfs/dbraw/zinc/45/86/82/977458682.db2.gz QFSJAJWSDGSQOW-HIFRSBDPSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001392537980 977474212 /nfs/dbraw/zinc/47/42/12/977474212.db2.gz SURSXWUQYVIDDT-CABCVRRESA-N 2 0 283.460 2.000 10 0 CDAERP C[C@H](C[N@H+](C)CC1CCCCC1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001392719472 977568694 /nfs/dbraw/zinc/56/86/94/977568694.db2.gz AJCWUCOIDGTBQM-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](F)CC[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001392926710 977653882 /nfs/dbraw/zinc/65/38/82/977653882.db2.gz HBOLTJPGIAEKMJ-LBPRGKRZSA-N 2 0 285.407 1.315 10 0 CDAERP CC[C@@H](C(=O)NC[C@@]1(O)CC[N@@H+](C(C)C)C1)[NH+](CC)CC ZINC001393282337 977756014 /nfs/dbraw/zinc/75/60/14/977756014.db2.gz XQKVYKKKGYQVNR-HOCLYGCPSA-N 2 0 299.459 1.068 10 0 CDAERP CC(C)CC[NH2+][C@H](C)[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001393925784 977967502 /nfs/dbraw/zinc/96/75/02/977967502.db2.gz GRKKWUGUGNFQOD-ZIAGYGMSSA-N 2 0 283.460 2.000 10 0 CDAERP CC(C)CC[N@H+](C)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001394139282 978086627 /nfs/dbraw/zinc/08/66/27/978086627.db2.gz MLIHMJHTCYIELV-CQSZACIVSA-N 2 0 271.449 1.809 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H](C)C1C[NH+](CCC(C)C)C1 ZINC001394253311 978118007 /nfs/dbraw/zinc/11/80/07/978118007.db2.gz WKADAXKUPKSBGO-CQSZACIVSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccsc1 ZINC001394559594 978202836 /nfs/dbraw/zinc/20/28/36/978202836.db2.gz NHFFMCBEZLZCNV-GXTWGEPZSA-N 2 0 295.452 1.636 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@]12CCC[C@@H]1[NH+](C(C)C)CC2 ZINC001394682121 978229878 /nfs/dbraw/zinc/22/98/78/978229878.db2.gz DRZCOQKJHUZLOA-HOCLYGCPSA-N 2 0 281.444 1.848 10 0 CDAERP CN(C[C@@H]1CC[N@@H+]1CC1CC(C)(C)C1)C(=O)CC[NH+](C)C ZINC001396989860 978567043 /nfs/dbraw/zinc/56/70/43/978567043.db2.gz DKTXWPWESSVRCB-HNNXBMFYSA-N 2 0 295.471 1.907 10 0 CDAERP CC(C)[NH2+][C@@H](C)[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001674720215 1173995810 /nfs/dbraw/zinc/99/58/10/1173995810.db2.gz AAZLCWMXHKCQCX-NWDGAFQWSA-N 2 0 255.406 1.219 10 0 CDAERP CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001571157268 1170341820 /nfs/dbraw/zinc/34/18/20/1170341820.db2.gz KFWGOENVTLUHNO-MGPQQGTHSA-N 2 0 269.433 1.611 10 0 CDAERP CC[NH2+]CCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001571307996 1170362726 /nfs/dbraw/zinc/36/27/26/1170362726.db2.gz JDXRVJWJLVBAAD-CHWSQXEVSA-N 2 0 255.406 1.223 10 0 CDAERP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H](C[NH2+]CCC1CC1)C1CC1 ZINC001571357628 1170383541 /nfs/dbraw/zinc/38/35/41/1170383541.db2.gz OTEGJASQZLUGFV-JKSUJKDBSA-N 2 0 293.455 1.707 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)[NH2+]C(C)C)CC[N@@H+]1C ZINC001571388374 1170405371 /nfs/dbraw/zinc/40/53/71/1170405371.db2.gz OXHCYEPGUMZITR-MELADBBJSA-N 2 0 269.433 1.562 10 0 CDAERP CN(C(=O)C12CC[NH+](CC1)C2)C1CC([NH2+]CCCF)C1 ZINC001571664472 1170514070 /nfs/dbraw/zinc/51/40/70/1170514070.db2.gz JJNKUDMQDQLNTH-UHFFFAOYSA-N 2 0 283.391 1.021 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@]2(CCOC2=O)C1 ZINC001655919685 1171742985 /nfs/dbraw/zinc/74/29/85/1171742985.db2.gz WGRGBMKVWDPSAD-OCCSQVGLSA-N 2 0 252.358 1.110 10 0 CDAERP C[NH+](C)C[C@@]1(O)CCCN(Cc2cccc(F)c2)C1 ZINC000623014980 342484595 /nfs/dbraw/zinc/48/45/95/342484595.db2.gz MOEVVBKUJFDJFX-HNNXBMFYSA-N 2 0 266.360 1.714 10 0 CDAERP CC(C)(C)OC(=O)N1CC(c2c[nH+]ccc2N)=C[C@@H]([NH3+])C1 ZINC000675078278 539085493 /nfs/dbraw/zinc/08/54/93/539085493.db2.gz OSYUEOAQOXSIAX-LLVKDONJSA-N 2 0 290.367 1.456 10 0 CDAERP CCO[C@@H]1C[N@H+](Cc2ccc3c(c2)ncn3C)C[C@H]1C[NH3+] ZINC000650714535 398156812 /nfs/dbraw/zinc/15/68/12/398156812.db2.gz LVWIQPLQWWMNPV-CZUORRHYSA-N 2 0 288.395 1.369 10 0 CDAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCC1(C[NH3+])CC1 ZINC000650748194 398175076 /nfs/dbraw/zinc/17/50/76/398175076.db2.gz PQKVCEUVJHFLGB-NSHDSACASA-N 3 0 262.401 1.628 10 0 CDAERP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000650755359 398180131 /nfs/dbraw/zinc/18/01/31/398180131.db2.gz CPBISOBXNBKGRU-VBNZEHGJSA-N 3 0 277.412 1.248 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000300674634 342562857 /nfs/dbraw/zinc/56/28/57/342562857.db2.gz LLRIMYRDOLAJQP-QWHCGFSZSA-N 2 0 255.406 1.223 10 0 CDAERP CCCC[N@H+](C)CC1CC[NH+](CCc2cn(C)nn2)CC1 ZINC000625086948 342029957 /nfs/dbraw/zinc/02/99/57/342029957.db2.gz AIMKXPCRZVLZHZ-UHFFFAOYSA-N 2 0 293.459 1.802 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)CCc1ncc[nH]1 ZINC000617009201 342605590 /nfs/dbraw/zinc/60/55/90/342605590.db2.gz URALPHKMYWYVRX-NSHDSACASA-N 2 0 264.373 1.331 10 0 CDAERP C[NH+]1CCN([C@@H](C[NH3+])c2ccc(F)c(Cl)c2)CC1 ZINC000083264119 178376282 /nfs/dbraw/zinc/37/62/82/178376282.db2.gz HLZKILJRRLWLHX-ZDUSSCGKSA-N 2 0 271.767 1.726 10 0 CDAERP NC(=O)c1cccc([C@H]2CCCCCN2CC[NH3+])c1 ZINC000616623470 342119547 /nfs/dbraw/zinc/11/95/47/342119547.db2.gz FYASLEFUVMBPMX-CQSZACIVSA-N 2 0 261.369 1.661 10 0 CDAERP Cc1cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(C)[nH]1 ZINC000591285650 342625226 /nfs/dbraw/zinc/62/52/26/342625226.db2.gz MMJLJPOERFKWLA-UHFFFAOYSA-N 2 0 280.416 1.197 10 0 CDAERP [NH3+]CCN1CC[NH2+]C[C@@H]1c1cnc2ccccc2c1 ZINC000616635532 342121106 /nfs/dbraw/zinc/12/11/06/342121106.db2.gz BVQCPBXXXDWPAW-OAHLLOKOSA-N 2 0 256.353 1.140 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000047978001 342150519 /nfs/dbraw/zinc/15/05/19/342150519.db2.gz DDVYRRYGSAJDIU-UHFFFAOYSA-N 2 0 283.460 1.955 10 0 CDAERP COC(=O)[C@@H](C)C[N@@H+](Cc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000592494358 342696681 /nfs/dbraw/zinc/69/66/81/342696681.db2.gz RIFAMNHUVUBDHU-GOEBONIOSA-N 2 0 290.407 1.907 10 0 CDAERP CCOC[C@H]1C[N@H+](CCC[NH3+])C[C@H]1C(F)(F)F ZINC000409436031 342169413 /nfs/dbraw/zinc/16/94/13/342169413.db2.gz XTQWZAWLROAUJY-NXEZZACHSA-N 2 0 254.296 1.482 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)Cc1ccccc1OC ZINC000629391590 361917457 /nfs/dbraw/zinc/91/74/57/361917457.db2.gz BDIIWWSPAOBUET-CYBMUJFWSA-N 2 0 266.385 1.452 10 0 CDAERP Cn1cc(C[NH2+]CCOCCC[NH3+])c(-c2cccs2)n1 ZINC000629400593 361938003 /nfs/dbraw/zinc/93/80/03/361938003.db2.gz FKVXWKWYDBRDSX-UHFFFAOYSA-N 2 0 294.424 1.604 10 0 CDAERP CO[C@@H](C[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000644926484 361938550 /nfs/dbraw/zinc/93/85/50/361938550.db2.gz DTHRAGNGYCKVKH-HNNXBMFYSA-N 2 0 261.369 1.629 10 0 CDAERP CCC[NH+]1CCC(N(C)C[C@H](O)CC(=O)OCC)CC1 ZINC000599312707 344005562 /nfs/dbraw/zinc/00/55/62/344005562.db2.gz BNYBGVDZJSZMSS-CQSZACIVSA-N 2 0 286.416 1.107 10 0 CDAERP CC(C)[NH2+]CCC(=O)NCC1([NH3+])CCCCCC1 ZINC000131630817 342235546 /nfs/dbraw/zinc/23/55/46/342235546.db2.gz QWUYDWCITCVAIM-UHFFFAOYSA-N 2 0 255.406 1.542 10 0 CDAERP C[C@@H]([NH2+]CCC[NH2+][C@@H](C)[C@@H]1CCCO1)[C@H]1CCCO1 ZINC000183212058 539143983 /nfs/dbraw/zinc/14/39/83/539143983.db2.gz ITRKZESBLAMDRA-NMWPEEMBSA-N 2 0 270.417 1.691 10 0 CDAERP C[NH+](C)[C@@H]1CCCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000431781881 282182915 /nfs/dbraw/zinc/18/29/15/282182915.db2.gz DRKXVVCXYCYABI-HUUCEWRRSA-N 2 0 281.444 1.804 10 0 CDAERP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H]1CCC[NH+](C)C1 ZINC000619363924 349680279 /nfs/dbraw/zinc/68/02/79/349680279.db2.gz CHBSTVQCMLNLRJ-KFWWJZLASA-N 2 0 296.459 1.500 10 0 CDAERP CCC(CC)(C[NH3+])C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000236635220 534928412 /nfs/dbraw/zinc/92/84/12/534928412.db2.gz DEFYUULXLSEVAW-STQMWFEESA-N 2 0 269.433 1.693 10 0 CDAERP C[C@@H](CSCCF)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000595011473 342993288 /nfs/dbraw/zinc/99/32/88/342993288.db2.gz HPOCIXQTQYLINN-ZDUSSCGKSA-N 2 0 291.480 1.693 10 0 CDAERP CC[NH+](CC)CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000075163098 342309149 /nfs/dbraw/zinc/30/91/49/342309149.db2.gz NDMVIIGXLROTET-AGUYFDCRSA-N 2 0 267.417 1.460 10 0 CDAERP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)c2ccccc12 ZINC000263144049 362023649 /nfs/dbraw/zinc/02/36/49/362023649.db2.gz COLCHILLJZPGFY-CJNGLKHVSA-N 2 0 286.375 1.518 10 0 CDAERP C[NH+](C)CC1(C(=O)N2CCC[N@H+](C)CC2)CCCCC1 ZINC000334604002 362014177 /nfs/dbraw/zinc/01/41/77/362014177.db2.gz WWGSDAROGUHVPZ-UHFFFAOYSA-N 2 0 281.444 1.663 10 0 CDAERP COc1ccc(C[C@@H](C)[NH2+]CC2([NH3+])CCOCC2)cn1 ZINC000629522312 362141629 /nfs/dbraw/zinc/14/16/29/362141629.db2.gz ZQOONXYMGUGFFX-GFCCVEGCSA-N 2 0 279.384 1.119 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC23CC(C2)C[NH2+]3)C[C@H]1C ZINC000596110766 343229840 /nfs/dbraw/zinc/22/98/40/343229840.db2.gz UHDADPLMMSAMKL-BCWAKEQVSA-N 2 0 280.412 1.696 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)c1cc(OC)c(OC)cc1C ZINC000629529078 362154778 /nfs/dbraw/zinc/15/47/78/362154778.db2.gz RCMCMFIUZDJOII-CYBMUJFWSA-N 2 0 296.411 1.899 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H]1CCCc2ccc(OC)cc21 ZINC000629529336 362154811 /nfs/dbraw/zinc/15/48/11/362154811.db2.gz ZVSUETUNSJIOLQ-INIZCTEOSA-N 2 0 278.396 1.898 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)COC(C)C)C1 ZINC000572512028 362166220 /nfs/dbraw/zinc/16/62/20/362166220.db2.gz AWMALXZEWVBQGT-HOTGVXAUSA-N 2 0 286.460 1.730 10 0 CDAERP C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)OC1CCOCC1 ZINC000629532665 362166221 /nfs/dbraw/zinc/16/62/21/362166221.db2.gz LJCVNIIIIMTOQW-OKILXGFUSA-N 2 0 268.401 1.113 10 0 CDAERP C(C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)OC1CCOCC1 ZINC000629533072 362170557 /nfs/dbraw/zinc/17/05/57/362170557.db2.gz GLTJIJLIEKGXRO-CABCVRRESA-N 2 0 282.428 1.504 10 0 CDAERP O=C(N[C@H]1CC[NH2+]C1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000334932793 303972192 /nfs/dbraw/zinc/97/21/92/303972192.db2.gz YECJXMHRZSPPRE-UONOGXRCSA-N 2 0 280.416 1.008 10 0 CDAERP CSc1nccnc1C[NH2+][C@H]1CC[C@H]([NH3+])CC1 ZINC000257351140 342441606 /nfs/dbraw/zinc/44/16/06/342441606.db2.gz CHBDYIBJQMPYDQ-MGCOHNPYSA-N 2 0 252.387 1.558 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](C)C[C@H]2C)CC[N@@H+]1C ZINC000631466490 362233497 /nfs/dbraw/zinc/23/34/97/362233497.db2.gz UAYVOPBBKNYKII-LXTVHRRPSA-N 2 0 281.444 1.515 10 0 CDAERP C[C@@H](CO)[C@@H](C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000166942377 136380448 /nfs/dbraw/zinc/38/04/48/136380448.db2.gz PMMQJYWCEBMWLK-QWHCGFSZSA-N 2 0 263.385 1.657 10 0 CDAERP C[N@@H+]1CC[C@@H](NC(=O)N2CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000417931773 529795348 /nfs/dbraw/zinc/79/53/48/529795348.db2.gz CMVOYNBEWZCBFT-CABCVRRESA-N 2 0 288.395 1.047 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000602412191 344414879 /nfs/dbraw/zinc/41/48/79/344414879.db2.gz FVKJJUQKCVFUMF-CYBMUJFWSA-N 2 0 270.421 1.112 10 0 CDAERP CC(C)(C)[C@@H](O)C[C@@H](CO)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000571389067 362486349 /nfs/dbraw/zinc/48/63/49/362486349.db2.gz TTWHAEMFBYTDLR-HOTGVXAUSA-N 2 0 298.471 1.608 10 0 CDAERP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CC[C@H]([NH3+])C1)CC(C)C ZINC000262651407 344696809 /nfs/dbraw/zinc/69/68/09/344696809.db2.gz ACVKWCRTXWOICP-ILXRZTDVSA-N 2 0 283.460 1.987 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2CSCC[NH2+]2)[C@@H](C)C1 ZINC000262748245 344702510 /nfs/dbraw/zinc/70/25/10/344702510.db2.gz GEDHUYKIAUIZOM-IHRRRGAJSA-N 2 0 299.484 1.270 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CCC[NH+](C)C1 ZINC000603593359 344820861 /nfs/dbraw/zinc/82/08/61/344820861.db2.gz CHENFTZBMBRFBG-LSDHHAIUSA-N 2 0 296.459 1.644 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Cn1ccnc1 ZINC000072960361 345388872 /nfs/dbraw/zinc/38/88/72/345388872.db2.gz WKOJYAPOWJLLHW-AWEZNQCLSA-N 2 0 278.400 1.654 10 0 CDAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC(C)(C)C ZINC000607236230 345326466 /nfs/dbraw/zinc/32/64/66/345326466.db2.gz UBFSSRXPLMFCGR-UHFFFAOYSA-N 2 0 272.437 1.167 10 0 CDAERP C[NH2+][C@H](C)C[C@H](C)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000084392585 178879654 /nfs/dbraw/zinc/87/96/54/178879654.db2.gz SMTVXPVVIQXVOE-ILXRZTDVSA-N 2 0 253.434 1.933 10 0 CDAERP C[NH2+][C@@H]1C[C@@H](C)C[C@@H](C)[C@@H]1N1CC[C@H]([NH+](C)C)C1 ZINC000084465963 178891891 /nfs/dbraw/zinc/89/18/91/178891891.db2.gz TVNFMRQIQBQFKE-ZQNQSHIBSA-N 2 0 253.434 1.645 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)[C@@]2(C)CCC[NH2+]2)CC1 ZINC000079515429 362658674 /nfs/dbraw/zinc/65/86/74/362658674.db2.gz MLNATGTZWRPRSJ-CQSZACIVSA-N 2 0 253.390 1.118 10 0 CDAERP C[C@H]1CC([NH+]2CCN(CCC[NH3+])CC2)C[C@@H](C)C1 ZINC000084948090 178933748 /nfs/dbraw/zinc/93/37/48/178933748.db2.gz KQQVGYFCQBEJLC-YIONKMFJSA-N 2 0 253.434 1.778 10 0 CDAERP [NH3+]Cc1ccc(F)cc1C[NH+]1CCC(CO)CC1 ZINC000085147650 178957398 /nfs/dbraw/zinc/95/73/98/178957398.db2.gz RTVSMKSOLCOGNV-UHFFFAOYSA-N 2 0 252.333 1.489 10 0 CDAERP CCC(CC)[N@H+](CCC[C@](C)(O)C[NH3+])CCOC ZINC000085301548 179009810 /nfs/dbraw/zinc/00/98/10/179009810.db2.gz DIUBIYGSFRQZBE-AWEZNQCLSA-N 2 0 260.422 1.613 10 0 CDAERP C[C@H](C[C@](C)(O)C[NH3+])[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000085299987 179009823 /nfs/dbraw/zinc/00/98/23/179009823.db2.gz AKRZZWFVMXZBMD-KBMXLJTQSA-N 2 0 262.397 1.964 10 0 CDAERP CN1CC[C@@H]([N@@H+]2CCCCC[C@@H]2C2CC[NH2+]CC2)C1=O ZINC000085403776 179053045 /nfs/dbraw/zinc/05/30/45/179053045.db2.gz AIYLPSQFKJWIOI-HUUCEWRRSA-N 2 0 279.428 1.461 10 0 CDAERP COCCOCC[N@@H+]1CCCCC[C@H]1C1CC[NH2+]CC1 ZINC000085403577 179053409 /nfs/dbraw/zinc/05/34/09/179053409.db2.gz WOFXLCQLBSASFO-INIZCTEOSA-N 2 0 284.444 1.894 10 0 CDAERP C[NH+](C)CCn1c2c(nc1C(F)(F)F)C[NH2+]CC2 ZINC000085568303 179094939 /nfs/dbraw/zinc/09/49/39/179094939.db2.gz NEMBZIYRRJHRHF-UHFFFAOYSA-N 2 0 262.279 1.109 10 0 CDAERP CCCc1nc2c(n1C[C@@H]1CCC[N@@H+]1CC)CC[NH2+]C2 ZINC000085568675 179095017 /nfs/dbraw/zinc/09/50/17/179095017.db2.gz HANDSHRPEPOTDV-ZDUSSCGKSA-N 2 0 276.428 1.966 10 0 CDAERP CCCc1nc2c(n1CCCC[NH+](C)C)CC[NH2+]C2 ZINC000085572975 179098691 /nfs/dbraw/zinc/09/86/91/179098691.db2.gz AVPGBWQLIHHTBI-UHFFFAOYSA-N 2 0 264.417 1.823 10 0 CDAERP CC(C)c1nc2c(n1CC(C)(C)[NH+](C)C)CC[NH2+]C2 ZINC000085574101 179099541 /nfs/dbraw/zinc/09/95/41/179099541.db2.gz MQYHGNLVAMVFCA-UHFFFAOYSA-N 2 0 264.417 1.992 10 0 CDAERP C[C@@H]1CCC[C@@](CNC(=O)[C@@]2(C)CCC[NH2+]2)([NH+](C)C)C1 ZINC000227083785 346524742 /nfs/dbraw/zinc/52/47/42/346524742.db2.gz DBDHVBVDBLXVFZ-FVQBIDKESA-N 2 0 281.444 1.755 10 0 CDAERP c1nc(CC[NH2+]CC[C@@H]2CSCC[NH2+]2)cs1 ZINC000085616424 179104488 /nfs/dbraw/zinc/10/44/88/179104488.db2.gz TWVRUZHBLROCFX-SNVBAGLBSA-N 2 0 257.428 1.370 10 0 CDAERP COCCOCC[N@@H+]1CC2(CCCC2)[NH2+]CC[C@H]1C ZINC000085623312 179105503 /nfs/dbraw/zinc/10/55/03/179105503.db2.gz QPAIMGCOPGFTEF-CQSZACIVSA-N 2 0 270.417 1.646 10 0 CDAERP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000263307453 362764601 /nfs/dbraw/zinc/76/46/01/362764601.db2.gz YAZRFGHGGRCKHG-SFXRXQKFSA-N 2 0 266.307 1.277 10 0 CDAERP C[NH+]1CCC(CCNC(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000229943349 346546037 /nfs/dbraw/zinc/54/60/37/346546037.db2.gz PUOBQWLXRVUYRC-CQSZACIVSA-N 2 0 267.417 1.224 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)[C@H]2CCCCC[NH2+]2)CC1 ZINC000563198430 293307403 /nfs/dbraw/zinc/30/74/03/293307403.db2.gz ZVUYUSKHYGNJPR-OAHLLOKOSA-N 2 0 281.444 1.757 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCOC[C@H]2CCOC2)CC1(C)C ZINC000623428313 346581797 /nfs/dbraw/zinc/58/17/97/346581797.db2.gz GNVIBEZNVJQEQN-CABCVRRESA-N 2 0 284.444 1.892 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623443001 346757591 /nfs/dbraw/zinc/75/75/91/346757591.db2.gz LEEWQYJJRXLBMT-LSDHHAIUSA-N 3 0 285.476 1.806 10 0 CDAERP CC[NH2+][C@@H](CCO)CN1CCC([NH+]2CCCCC2)CC1 ZINC000085921881 179200732 /nfs/dbraw/zinc/20/07/32/179200732.db2.gz DEMKRZUYNWHRKQ-HNNXBMFYSA-N 2 0 283.460 1.297 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612931672 347333854 /nfs/dbraw/zinc/33/38/54/347333854.db2.gz WJRBGVOZPRQLKZ-AWEZNQCLSA-N 2 0 270.421 1.016 10 0 CDAERP C[NH+](C)CCCN1CC[NH2+][C@@](C)(c2ccccc2)C1 ZINC000086127420 179235363 /nfs/dbraw/zinc/23/53/63/179235363.db2.gz KBTQJVJIJJPTHP-MRXNPFEDSA-N 2 0 261.413 1.759 10 0 CDAERP C[C@@H]1C[NH2+][C@H](Cc2ccccc2)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086171863 179243054 /nfs/dbraw/zinc/24/30/54/179243054.db2.gz VBUAKXIFDUKDKP-KBAYOESNSA-N 2 0 287.451 1.843 10 0 CDAERP CC(C)[C@@H]1CN([C@@H]2CC[N@@H+](C3CC3)C2)[C@@H](C)C[NH2+]1 ZINC000086173850 179244146 /nfs/dbraw/zinc/24/41/46/179244146.db2.gz ATDIUMUBADHTMZ-CFVMTHIKSA-N 2 0 251.418 1.541 10 0 CDAERP C[C@@H]1CC[C@@H](CN)[N@H+](CCCc2cncn2C)[C@@H]1C ZINC000641805728 365880428 /nfs/dbraw/zinc/88/04/28/365880428.db2.gz GMZDMKDRWMYSKL-MCIONIFRSA-N 2 0 264.417 1.800 10 0 CDAERP C[N@@H+]1CCC[C@H](N2CC[NH2+]C[C@@H]2c2ccccc2)C1 ZINC000086177289 179246254 /nfs/dbraw/zinc/24/62/54/179246254.db2.gz HBWSHYBSOZOJMO-JKSUJKDBSA-N 2 0 259.397 1.727 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000114076530 365891975 /nfs/dbraw/zinc/89/19/75/365891975.db2.gz NXHJZJZFSQOIRT-HNNXBMFYSA-N 2 0 279.428 1.415 10 0 CDAERP CC[C@@H]1C[NH2+][C@@H](C2CC2)CN1C[C@@H]1CCC[N@H+](C)C1 ZINC000086259239 179257912 /nfs/dbraw/zinc/25/79/12/179257912.db2.gz KLPMPBHMNHDKER-FVQBIDKESA-N 2 0 265.445 1.791 10 0 CDAERP CC(C)[C@H]1C[NH2+][C@H](C2CC2)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086259610 179258412 /nfs/dbraw/zinc/25/84/12/179258412.db2.gz NDDATNJYOWZBGR-IXDOHACOSA-N 2 0 277.456 1.932 10 0 CDAERP COC[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C1CCOCC1 ZINC000623562863 347634583 /nfs/dbraw/zinc/63/45/83/347634583.db2.gz GDAYNOTUYNPTAE-GJZGRUSLSA-N 2 0 284.444 1.890 10 0 CDAERP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000614068318 347993501 /nfs/dbraw/zinc/99/35/01/347993501.db2.gz ZEQURRUORLAIDI-CJNGLKHVSA-N 2 0 299.459 1.068 10 0 CDAERP C[C@@H]([NH3+])C1CC[NH+](C2CCC3(CC2)OCCO3)CC1 ZINC000104130380 185903084 /nfs/dbraw/zinc/90/30/84/185903084.db2.gz YNSCZNJGNRUKII-GFCCVEGCSA-N 2 0 268.401 1.731 10 0 CDAERP CCCN(CCC[NH+]1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000104339735 185975173 /nfs/dbraw/zinc/97/51/73/185975173.db2.gz HGWGCLRHGLURKV-HNNXBMFYSA-N 2 0 253.434 1.936 10 0 CDAERP C[C@@H]([NH2+]CCOCCC[NH3+])c1ccc(F)cc1N(C)C ZINC000629535923 362950267 /nfs/dbraw/zinc/95/02/67/362950267.db2.gz FMGIKNDEHKFIQI-GFCCVEGCSA-N 2 0 283.391 1.908 10 0 CDAERP CCO[C@H](C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)C1CC1 ZINC000629536462 362951176 /nfs/dbraw/zinc/95/11/76/362951176.db2.gz HLLKCGQNOWWBOL-ZNMIVQPWSA-N 2 0 252.402 1.862 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)C2([NH3+])CCCC2)CC[N@@H+]1C ZINC000237564252 297256496 /nfs/dbraw/zinc/25/64/96/297256496.db2.gz QNSPFNHCWKYSKV-NEPJUHHUSA-N 2 0 253.390 1.199 10 0 CDAERP CO[C@@H](C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000659850531 412552542 /nfs/dbraw/zinc/55/25/42/412552542.db2.gz RZNVJWWGIRBWKE-ZNMIVQPWSA-N 2 0 252.402 1.733 10 0 CDAERP C[C@@H]1CC[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C[NH2+]1 ZINC000629540199 362959800 /nfs/dbraw/zinc/95/98/00/362959800.db2.gz OBABIDNSOCBIKJ-CAEXGNQWSA-N 2 0 251.418 1.637 10 0 CDAERP CCn1cc(CC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cn1 ZINC000621775128 350771560 /nfs/dbraw/zinc/77/15/60/350771560.db2.gz GVFDHNPFNSRDLQ-HZPDHXFCSA-N 2 0 276.428 1.910 10 0 CDAERP CCn1nccc1CC[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000621775401 350771974 /nfs/dbraw/zinc/77/19/74/350771974.db2.gz ODKKXNJICFRMQO-CVEARBPZSA-N 2 0 292.427 1.274 10 0 CDAERP CC[C@H]1C[N@H+](CCc2ccnn2CC)CC[C@H]1[NH3+] ZINC000621775296 350772104 /nfs/dbraw/zinc/77/21/04/350772104.db2.gz LBQZFXDBZDNKPC-GXTWGEPZSA-N 2 0 250.390 1.505 10 0 CDAERP C[NH+](C)Cc1ccc(C(=O)NCC2CC[NH+](C)CC2)cn1 ZINC000622342751 351131660 /nfs/dbraw/zinc/13/16/60/351131660.db2.gz AYYFHEPPQDZKRX-UHFFFAOYSA-N 2 0 290.411 1.215 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)[C@@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000629565265 363016428 /nfs/dbraw/zinc/01/64/28/363016428.db2.gz DWDXRHKLKMULHV-ZNMIVQPWSA-N 2 0 299.459 1.047 10 0 CDAERP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)[C@H]1CCCCO1 ZINC000623859361 351301817 /nfs/dbraw/zinc/30/18/17/351301817.db2.gz KSVVFRYVWVNYPE-LSDHHAIUSA-N 2 0 283.460 1.560 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000624317011 351544568 /nfs/dbraw/zinc/54/45/68/351544568.db2.gz VZDUDTQHHXJRNA-RRFJBIMHSA-N 2 0 294.443 1.397 10 0 CDAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000333633602 363069883 /nfs/dbraw/zinc/06/98/83/363069883.db2.gz HAHHGLNTWAISDG-STQMWFEESA-N 2 0 282.432 1.016 10 0 CDAERP CO[C@@H](C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)C1CCC1 ZINC000629594086 363113376 /nfs/dbraw/zinc/11/33/76/363113376.db2.gz KVLRLRLGRJRQRO-SOUVJXGZSA-N 2 0 252.402 1.733 10 0 CDAERP C[NH+]1CCN(C[C@H](O)C[NH2+]CC[C@H]2CCCC2(C)C)CC1 ZINC000629604811 363166870 /nfs/dbraw/zinc/16/68/70/363166870.db2.gz YYLJYBSXQBFELP-HZPDHXFCSA-N 2 0 297.487 1.401 10 0 CDAERP [NH3+]CCN(CCc1ccccc1)CC1=CCCOC1 ZINC000629654434 363258159 /nfs/dbraw/zinc/25/81/59/363258159.db2.gz ONRVGJARERAXNB-UHFFFAOYSA-N 2 0 260.381 1.837 10 0 CDAERP C[C@@H]1CN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@]1(C)C[NH3+] ZINC000569456024 358483661 /nfs/dbraw/zinc/48/36/61/358483661.db2.gz UTNCOJNONUVBKE-QAXSNASLSA-N 2 0 279.428 1.350 10 0 CDAERP CCc1ccccc1CN(C)CC(=O)N1CC[NH2+]CC1 ZINC000052204642 363367563 /nfs/dbraw/zinc/36/75/63/363367563.db2.gz GRMCPWRYLMQIMU-UHFFFAOYSA-N 2 0 275.396 1.113 10 0 CDAERP C[NH+](C)[C@H]1CCCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000211962171 356582184 /nfs/dbraw/zinc/58/21/84/356582184.db2.gz KIBXJQBMOUUZGB-KRWDZBQOSA-N 2 0 273.424 1.858 10 0 CDAERP [NH3+]CCCCCCn1cc([C@H]2CCCC[NH2+]2)nn1 ZINC000725263073 538455151 /nfs/dbraw/zinc/45/51/51/538455151.db2.gz JJTJETNBDGEQRW-GFCCVEGCSA-N 2 0 251.378 1.612 10 0 CDAERP CC[C@@H]1C[N@H+](C2CCN(CC[NH3+])CC2)C[C@H](CC)O1 ZINC000725273888 538463586 /nfs/dbraw/zinc/46/35/86/538463586.db2.gz QWPQLMWKOQVWLY-GASCZTMLSA-N 2 0 269.433 1.299 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCCn1ccnc1 ZINC000176367881 366328214 /nfs/dbraw/zinc/32/82/14/366328214.db2.gz JUZDAVBNRRFBKB-AWEZNQCLSA-N 2 0 293.415 1.399 10 0 CDAERP CC[N@H+](C)CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000367975423 357100647 /nfs/dbraw/zinc/10/06/47/357100647.db2.gz YEEOBDDGTXUAKA-AWEZNQCLSA-N 2 0 273.396 1.267 10 0 CDAERP C[C@H]([NH2+]C[C@H](O)C[C@@](C)(O)C1CC1)C(C)(C)C[NH+](C)C ZINC000634705985 357380533 /nfs/dbraw/zinc/38/05/33/357380533.db2.gz JAUUDCZIRUNZEA-JGGQBBKZSA-N 2 0 286.460 1.464 10 0 CDAERP C[C@H]([NH2+]C[C@@H](O)C[C@@](C)(O)C1CC1)C(C)(C)C[NH+](C)C ZINC000634705984 357380624 /nfs/dbraw/zinc/38/06/24/357380624.db2.gz JAUUDCZIRUNZEA-DUVNUKRYSA-N 2 0 286.460 1.464 10 0 CDAERP CCNC(=O)C(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367627218 357485019 /nfs/dbraw/zinc/48/50/19/357485019.db2.gz SCFHOMZOWLWEDU-MGPQQGTHSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@]([NH3+])(C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccccc1 ZINC000634744037 358192129 /nfs/dbraw/zinc/19/21/29/358192129.db2.gz MACWFFRWUWBJPZ-IXDOHACOSA-N 2 0 287.407 1.319 10 0 CDAERP C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000335232399 359080369 /nfs/dbraw/zinc/08/03/69/359080369.db2.gz KRMNVCQIXRBGDJ-GJZGRUSLSA-N 2 0 293.455 1.757 10 0 CDAERP C[C@]1(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)CC[NH2+]C1 ZINC000261895955 359081498 /nfs/dbraw/zinc/08/14/98/359081498.db2.gz UWKJJGYMFPZJCN-KRWDZBQOSA-N 3 0 295.471 1.563 10 0 CDAERP Cc1cnn([C@H]2CCC[N@H+](C[C@]3(C)CC[NH2+]C3)C2)c1 ZINC000261926654 359091556 /nfs/dbraw/zinc/09/15/56/359091556.db2.gz CHDIKSHKRSYSTJ-LSDHHAIUSA-N 2 0 262.401 1.828 10 0 CDAERP C[NH+](C)C[C@H]1CC[N@H+](CCCCCn2cccn2)C1 ZINC000113512095 359480482 /nfs/dbraw/zinc/48/04/82/359480482.db2.gz BBAAWWKMCVPTIH-OAHLLOKOSA-N 2 0 264.417 1.937 10 0 CDAERP C[NH+](C)C[C@H]1CC[N@H+](C[C@@](C)(O)c2ccccc2)C1 ZINC000114479877 359476205 /nfs/dbraw/zinc/47/62/05/359476205.db2.gz HASMSLMQBRFIFM-GDBMZVCRSA-N 2 0 262.397 1.778 10 0 CDAERP C[N@H+](CCN[C@H](C1CC1)[C@H]1C[NH2+]CCO1)C1CCCCC1 ZINC000422699498 359650807 /nfs/dbraw/zinc/65/08/07/359650807.db2.gz DJTQDIKJRFBSAG-IAGOWNOFSA-N 2 0 295.471 1.608 10 0 CDAERP C[C@H](NCC[N@@H+]1CCCC[C@H]1C)[C@H]1CCCC[NH2+]1 ZINC000422855813 359662426 /nfs/dbraw/zinc/66/24/26/359662426.db2.gz FFZXINMSMVSLJU-QLFBSQMISA-N 2 0 253.434 1.981 10 0 CDAERP O=C(NCc1ccc2c[nH+]cn2c1)C1CC[NH+](C2CC2)CC1 ZINC000297316929 200146120 /nfs/dbraw/zinc/14/61/20/200146120.db2.gz SAXRECCZGFVXAA-UHFFFAOYSA-N 2 0 298.390 1.825 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccnc(SC)c1 ZINC000422998994 359707407 /nfs/dbraw/zinc/70/74/07/359707407.db2.gz XJYUABPLZFDIPW-GFCCVEGCSA-N 2 0 269.414 1.647 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@H](CCO)c1ccccc1 ZINC000422983393 359697285 /nfs/dbraw/zinc/69/72/85/359697285.db2.gz ZGMODTCKZXCPKG-HUUCEWRRSA-N 2 0 266.385 1.454 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)NCC[NH2+]C2CC2)cc1 ZINC000637339517 359759628 /nfs/dbraw/zinc/75/96/28/359759628.db2.gz IUTHACIBVUYJNY-NSHDSACASA-N 2 0 276.384 1.258 10 0 CDAERP CC(C)[C@@H](O)C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000336845836 359916040 /nfs/dbraw/zinc/91/60/40/359916040.db2.gz FTVFIFQNMNIEGW-BBWFWOEESA-N 2 0 297.487 1.494 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C[C@@H](O)C(C)(C)C)CC1 ZINC000336846050 359916279 /nfs/dbraw/zinc/91/62/79/359916279.db2.gz ISKPGZQNDJOHHL-JKSUJKDBSA-N 2 0 297.487 1.495 10 0 CDAERP C[C@]1(F)CNCCN(C(=O)c2ccc3c(c2)C[NH2+]C3)C1 ZINC000335341062 359980421 /nfs/dbraw/zinc/98/04/21/359980421.db2.gz CUFANOZTCQVSLE-HNNXBMFYSA-N 2 0 277.343 1.063 10 0 CDAERP CO[C@H]1C[C@H]2C[C@H]([NH2+]CCCC[NH+]3CCOCC3)C[C@H]2C1 ZINC000424261471 359982372 /nfs/dbraw/zinc/98/23/72/359982372.db2.gz FEDJJEHBPRLIOW-GANOOXTDSA-N 2 0 296.455 1.892 10 0 CDAERP C[C@]1(CN2CCC([NH+]3CCCCC3)CC2)CC[NH2+]C1 ZINC000062911497 360030459 /nfs/dbraw/zinc/03/04/59/360030459.db2.gz JOASKHLOXMEQSP-INIZCTEOSA-N 2 0 265.445 1.936 10 0 CDAERP CC(C)n1ncnc1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000631160218 360219627 /nfs/dbraw/zinc/21/96/27/360219627.db2.gz FWNXPRJOSSKLAB-UHFFFAOYSA-N 2 0 265.405 1.821 10 0 CDAERP C[C@@H]1CC[C@@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)O1 ZINC000154612286 360373788 /nfs/dbraw/zinc/37/37/88/360373788.db2.gz YAJQXSKJKPQSSA-CABCVRRESA-N 2 0 299.459 1.286 10 0 CDAERP C[NH+]1CCC(CC[NH2+][C@@H]2CCCS(=O)(=O)CC2)CC1 ZINC000634960583 360558954 /nfs/dbraw/zinc/55/89/54/360558954.db2.gz VWXZXPUPCKKLFL-CQSZACIVSA-N 2 0 288.457 1.275 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H](C)[NH+](CC)CC ZINC000626932412 360649318 /nfs/dbraw/zinc/64/93/18/360649318.db2.gz AACTWLHGBFXENM-FRRDWIJNSA-N 2 0 270.421 1.156 10 0 CDAERP C(N1CCC[C@@H]([NH+]2CCCC2)CC1)C12CC(C1)C[NH2+]2 ZINC000634993299 360626781 /nfs/dbraw/zinc/62/67/81/360626781.db2.gz PYIPAVJFNFFOQO-HWOWSKLDSA-N 2 0 263.429 1.689 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000417255725 296022465 /nfs/dbraw/zinc/02/24/65/296022465.db2.gz QHLKLOHOEYWPGJ-MEBFFEOJSA-N 2 0 284.448 1.388 10 0 CDAERP C[C@@H]1CN(Cc2cc(-n3ccnc3)cs2)CC(=O)N1C ZINC000335721999 360848263 /nfs/dbraw/zinc/84/82/63/360848263.db2.gz BPSCBGPMGMMYOL-LLVKDONJSA-N 2 0 290.392 1.596 10 0 CDAERP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000645774331 361388023 /nfs/dbraw/zinc/38/80/23/361388023.db2.gz OURNLGMWBGWNSC-OCCSQVGLSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)[C@H]2[NH2+]CC2(C)C)cc1 ZINC000644077143 363778648 /nfs/dbraw/zinc/77/86/48/363778648.db2.gz XQHDNRZOVSUCLX-GXFFZTMASA-N 2 0 261.369 1.321 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+]2CCC1CC2 ZINC000336587231 363784461 /nfs/dbraw/zinc/78/44/61/363784461.db2.gz YCFUEMGNFMNKDU-OAHLLOKOSA-N 2 0 294.443 1.350 10 0 CDAERP C[N@@H+]1CCC[C@@]2(CCN(C[C@@H](O)CC(F)(F)F)C2)C1 ZINC000339439351 361508321 /nfs/dbraw/zinc/50/83/21/361508321.db2.gz UJTXGPGZSBZMBP-NWDGAFQWSA-N 2 0 280.334 1.717 10 0 CDAERP C[C@]1(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CCCS1 ZINC000628352070 363844377 /nfs/dbraw/zinc/84/43/77/363844377.db2.gz WVNKYMFKELTHMR-HUUCEWRRSA-N 2 0 284.469 1.803 10 0 CDAERP CN(CC(=O)NC(C)(C)C)C[C@@H]1CCC[N@H+](C)C1 ZINC000104096693 364643934 /nfs/dbraw/zinc/64/39/34/364643934.db2.gz OVMVKRZFHRTLKP-GFCCVEGCSA-N 2 0 255.406 1.175 10 0 CDAERP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CCC[C@@H](O)C3)CC[C@@H]21 ZINC000381715417 482896311 /nfs/dbraw/zinc/89/63/11/482896311.db2.gz KDDZXIYTBWKOFK-FPCVCCKLSA-N 2 0 266.429 1.954 10 0 CDAERP COC(=O)c1cc(C[NH2+][C@H]2CCc3nc[nH]c3C2)c[nH]1 ZINC000353242674 365084144 /nfs/dbraw/zinc/08/41/44/365084144.db2.gz OEYRGUCPQODEAS-JTQLQIEISA-N 2 0 274.324 1.172 10 0 CDAERP C[C@H](CNC(=O)c1c[nH+]ccc1N(C)C)C[NH+](C)C ZINC000293782971 370794972 /nfs/dbraw/zinc/79/49/72/370794972.db2.gz OHGMURYHTNIBPU-LLVKDONJSA-N 2 0 264.373 1.075 10 0 CDAERP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC/C=C/C[NH3+])C1 ZINC000669406523 482908938 /nfs/dbraw/zinc/90/89/38/482908938.db2.gz VAQUUPCJACLBQL-MUBLQREKSA-N 2 0 282.432 1.311 10 0 CDAERP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)[C@@H]1C[C@H]1C ZINC000414115640 241072682 /nfs/dbraw/zinc/07/26/82/241072682.db2.gz NHHNVTODUPYIAM-QLFBSQMISA-N 2 0 253.434 1.648 10 0 CDAERP C[C@H](N[C@H](C[NH+](C)C)c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400713192 366971370 /nfs/dbraw/zinc/97/13/70/366971370.db2.gz MTJBEDFPYVXCOU-NUEKZKHPSA-N 2 0 261.413 1.877 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000566857514 370829330 /nfs/dbraw/zinc/82/93/30/370829330.db2.gz RTKABSBQZLFXCY-WUHRBBMRSA-N 2 0 255.406 1.526 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)NCCCCC[NH+]2CCCC2)C[NH2+]1 ZINC000627045547 367295641 /nfs/dbraw/zinc/29/56/41/367295641.db2.gz FJRBTMJQMXCKCG-HUUCEWRRSA-N 2 0 296.459 1.692 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)NCC[C@@H]2CCC[N@H+](C)C2)C[NH2+]1 ZINC000627060203 367317749 /nfs/dbraw/zinc/31/77/49/367317749.db2.gz HHVYWZJRVIHGRW-RDBSUJKOSA-N 2 0 282.432 1.158 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000627165624 367598183 /nfs/dbraw/zinc/59/81/83/367598183.db2.gz BCDCXAZWMHFJLY-LJISPDSOSA-N 2 0 296.459 1.641 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000627158740 367587448 /nfs/dbraw/zinc/58/74/48/367587448.db2.gz CUFHWKXWNUDYGB-PJIALRRASA-N 2 0 280.416 1.051 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000627164625 367596372 /nfs/dbraw/zinc/59/63/72/367596372.db2.gz FZAOPVSLZSFNLV-BYNSBNAKSA-N 2 0 296.459 1.499 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000417001717 242257620 /nfs/dbraw/zinc/25/76/20/242257620.db2.gz FGJLGDFGLWALSY-ZBFHGGJFSA-N 2 0 296.459 1.502 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000417210915 242358938 /nfs/dbraw/zinc/35/89/38/242358938.db2.gz FJUITDSGQBAKNL-OSFYFWSMSA-N 2 0 284.448 1.532 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)N(CC[NH+](C)C)C2CCCC2)C[NH2+]1 ZINC000627202615 367695675 /nfs/dbraw/zinc/69/56/75/367695675.db2.gz RVYKVRYFDGHEDO-ZIAGYGMSSA-N 2 0 296.459 1.643 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC(C)(C)CCC[NH+](C)C ZINC000627246657 367884607 /nfs/dbraw/zinc/88/46/07/367884607.db2.gz WQJBBMUBWILCBY-NWDGAFQWSA-N 2 0 270.421 1.156 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C[NH3+])C2CC2)[C@@H](C)C1 ZINC000418448981 243090975 /nfs/dbraw/zinc/09/09/75/243090975.db2.gz CUMAXQJBIXMJBU-UBHSHLNASA-N 2 0 282.432 1.095 10 0 CDAERP C[NH+](C)CC(C)(C)NC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418453749 243097363 /nfs/dbraw/zinc/09/73/63/243097363.db2.gz PMAOHZUYEAJVNU-ZDUSSCGKSA-N 2 0 278.400 1.326 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000418460440 243106404 /nfs/dbraw/zinc/10/64/04/243106404.db2.gz KCJWNNXAAOKPOO-SLEUVZQESA-N 2 0 290.411 1.504 10 0 CDAERP C[C@@H](CNC(=O)CCC1C[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000638114555 368470950 /nfs/dbraw/zinc/47/09/50/368470950.db2.gz XGWFMGDFVAFKFY-AWEZNQCLSA-N 2 0 289.423 1.623 10 0 CDAERP CC[NH2+][C@H](C)CNC(=O)NC[C@H]([NH3+])c1ccccc1CC ZINC000418604909 243267534 /nfs/dbraw/zinc/26/75/34/243267534.db2.gz SNMKVHUNAWDQGE-DOMZBBRYSA-N 2 0 292.427 1.546 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@@H](C)[NH+](C3CC3)C2)CC[N@@H+]1C ZINC000631710083 368560096 /nfs/dbraw/zinc/56/00/96/368560096.db2.gz OLAPQIWDAAINON-RJZRQDKASA-N 2 0 279.428 1.458 10 0 CDAERP C[NH+]1CCC(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)CC1 ZINC000366635872 368546969 /nfs/dbraw/zinc/54/69/69/368546969.db2.gz YFUMRHFNZBGNMJ-LSDHHAIUSA-N 2 0 279.428 1.319 10 0 CDAERP COc1cccc(C[C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)n1 ZINC000414945487 370909283 /nfs/dbraw/zinc/90/92/83/370909283.db2.gz RRXMQVDFEBZVFT-MBNYWOFBSA-N 2 0 263.385 1.609 10 0 CDAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H](O)C2(C)C)CC1 ZINC000361403980 368801432 /nfs/dbraw/zinc/80/14/32/368801432.db2.gz QBQGECBFAVHEEE-OAHLLOKOSA-N 2 0 283.460 1.248 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC000542786985 368821777 /nfs/dbraw/zinc/82/17/77/368821777.db2.gz SCJBSYUVDHWUDR-HNNXBMFYSA-N 2 0 290.411 1.508 10 0 CDAERP O=C(N[C@H]1CC12CC[NH2+]CC2)C12CCC[NH+](CCC1)C2 ZINC000638244642 368864637 /nfs/dbraw/zinc/86/46/37/368864637.db2.gz JSYKODLJGRNCEP-ZDUSSCGKSA-N 2 0 277.412 1.121 10 0 CDAERP C[NH+](C)CCN(C(=O)C1=CC[C@H]([NH3+])C1)C1CCCC1 ZINC000638272828 369043678 /nfs/dbraw/zinc/04/36/78/369043678.db2.gz VGWYVLRZYLHLMU-ZDUSSCGKSA-N 2 0 265.401 1.367 10 0 CDAERP CN1CCC([N@@H+]2CC[C@H](NC(=O)/C=C/C(C)(C)C)C2)CC1 ZINC000363225064 369136356 /nfs/dbraw/zinc/13/63/56/369136356.db2.gz GUZAIMNTWBQBAY-KVEVGEHQSA-N 2 0 293.455 1.873 10 0 CDAERP C[C@@H](CNC(=O)N1CC[NH+]2CCC1CC2)C[NH+]1CCCC1 ZINC000367410613 369142099 /nfs/dbraw/zinc/14/20/99/369142099.db2.gz QMAKNTQGMAEKQB-AWEZNQCLSA-N 2 0 294.443 1.208 10 0 CDAERP C[N@@H+]1CC[C@]2(CC[NH+](CCC(=O)NC3CCCC3)C2)C1 ZINC000367845323 369266095 /nfs/dbraw/zinc/26/60/95/369266095.db2.gz CSDIJEFCNFKVFJ-INIZCTEOSA-N 2 0 279.428 1.463 10 0 CDAERP [NH3+]Cc1cccc(-n2cc(C[NH2+]C3CCCC3)nn2)c1 ZINC000630608050 369382389 /nfs/dbraw/zinc/38/23/89/369382389.db2.gz SYJDRDJKNAEECJ-UHFFFAOYSA-N 2 0 271.368 1.758 10 0 CDAERP c1cnn(C2CC([NH2+]CCCC[NH+]3CCOCC3)C2)c1 ZINC000638369478 369549979 /nfs/dbraw/zinc/54/99/79/369549979.db2.gz BSIPJVIDQUCXPX-UHFFFAOYSA-N 2 0 278.400 1.289 10 0 CDAERP C[C@@H]([NH2+]CC(C)(C)N1CCOCC1)[C@H]1CCC[NH2+]C1 ZINC000582295358 370156014 /nfs/dbraw/zinc/15/60/14/370156014.db2.gz CKDMWIKORIECBA-KGLIPLIRSA-N 2 0 269.433 1.075 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000564726182 370248153 /nfs/dbraw/zinc/24/81/53/370248153.db2.gz JXQMBIBQHISOJZ-DOMZBBRYSA-N 2 0 287.407 1.712 10 0 CDAERP C[C@H](CC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)C1CC[NH2+]CC1 ZINC000565479664 370455803 /nfs/dbraw/zinc/45/58/03/370455803.db2.gz HGGJJODDSOFFAV-BMFZPTHFSA-N 2 0 293.455 1.470 10 0 CDAERP COCC[N@H+](C)CCCN[C@@H]1CC[NH+](C)[C@H]2CCC[C@@H]21 ZINC000375855578 371004525 /nfs/dbraw/zinc/00/45/25/371004525.db2.gz AVQXAEKATGSINT-OAGGEKHMSA-N 2 0 283.460 1.417 10 0 CDAERP CC[NH+](CC)CCCN[C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422739134 245199624 /nfs/dbraw/zinc/19/96/24/245199624.db2.gz ZXHMKVSTCZPTMZ-HUUCEWRRSA-N 2 0 269.433 1.075 10 0 CDAERP CC[C@H](Cn1cncn1)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000340466855 371064249 /nfs/dbraw/zinc/06/42/49/371064249.db2.gz NRICZFABEXEBPM-ZIAGYGMSSA-N 2 0 265.405 1.378 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000422876126 245361536 /nfs/dbraw/zinc/36/15/36/245361536.db2.gz PVHMSASGZNYZQG-BZPMIXESSA-N 2 0 294.830 1.901 10 0 CDAERP CC[C@H](Cn1cncn1)[NH2+]CCCN1CCCO[C@H](C)C1 ZINC000340513931 371471766 /nfs/dbraw/zinc/47/17/66/371471766.db2.gz YTYKALZPDOCYKU-HUUCEWRRSA-N 2 0 295.431 1.147 10 0 CDAERP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000573699279 371629495 /nfs/dbraw/zinc/62/94/95/371629495.db2.gz HOOCWNJZZMUVFV-KBMXLJTQSA-N 2 0 279.428 1.496 10 0 CDAERP CC[NH+](CC)CCCNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171897422 372207928 /nfs/dbraw/zinc/20/79/28/372207928.db2.gz PUYXAPCASYLSFG-AWEZNQCLSA-N 2 0 282.432 1.208 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]C(C)C)C1)[NH+](CC)CC ZINC001661650605 1172422059 /nfs/dbraw/zinc/42/20/59/1172422059.db2.gz UNINTHVJJRMTEX-MJBXVCDLSA-N 2 0 269.433 1.752 10 0 CDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C2CCCC2)CC1 ZINC000179297186 372267115 /nfs/dbraw/zinc/26/71/15/372267115.db2.gz UQXPOZVFWZGVBN-ZDUSSCGKSA-N 2 0 254.418 1.954 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@H](CC[NH3+])C(F)F ZINC000578357150 372421325 /nfs/dbraw/zinc/42/13/25/372421325.db2.gz XYTVHYNGKCFBOX-WDEREUQCSA-N 2 0 277.359 1.350 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000578488831 372478824 /nfs/dbraw/zinc/47/88/24/372478824.db2.gz VSGMDWHAJKUBOM-CQSZACIVSA-N 2 0 282.432 1.160 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000422981827 245463558 /nfs/dbraw/zinc/46/35/58/245463558.db2.gz UNWDGIYGIFWUSQ-TZMCWYRMSA-N 2 0 266.385 1.667 10 0 CDAERP C[NH2+][C@@H](C)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381768508 372997290 /nfs/dbraw/zinc/99/72/90/372997290.db2.gz PUIJBHOEAWQWIR-ZFWWWQNUSA-N 2 0 275.396 1.327 10 0 CDAERP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000581486262 373034813 /nfs/dbraw/zinc/03/48/13/373034813.db2.gz CMOSJMORSCSGDU-IMJJTQAJSA-N 2 0 289.423 1.274 10 0 CDAERP CC(C)[NH2+]CCN1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000191459133 373494442 /nfs/dbraw/zinc/49/44/42/373494442.db2.gz XXLKQVQIFXJYOM-CQSZACIVSA-N 2 0 269.433 1.170 10 0 CDAERP C[NH+]1CCN(c2cc[nH+]c(NCc3cn[nH]c3)c2)CC1 ZINC000630960579 373548224 /nfs/dbraw/zinc/54/82/24/373548224.db2.gz IBOMPTUXFILPKR-UHFFFAOYSA-N 2 0 272.356 1.169 10 0 CDAERP [NH3+]C[C@H]1CC[N@H+](CCc2cccc3c2OC(F)(F)O3)C1 ZINC000631821243 373698749 /nfs/dbraw/zinc/69/87/49/373698749.db2.gz SIZVXJPEHMLHLF-SNVBAGLBSA-N 2 0 284.306 1.831 10 0 CDAERP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCCC1(C[NH3+])CC1 ZINC000652232300 541924165 /nfs/dbraw/zinc/92/41/65/541924165.db2.gz WJOSTQVFFFAFCC-NWDGAFQWSA-N 2 0 268.405 1.027 10 0 CDAERP COCC[C@H](C)[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000361528207 541940635 /nfs/dbraw/zinc/94/06/35/541940635.db2.gz VHYGFRAWEZHCEA-ZDUSSCGKSA-N 2 0 279.384 1.637 10 0 CDAERP C[C@H]1C[C@@H](N(C)C(=O)c2ccc3c(c2)C[NH2+]C3)CC[N@@H+]1C ZINC000334270656 374690780 /nfs/dbraw/zinc/69/07/80/374690780.db2.gz SQCLUXXSVFDBRB-LRDDRELGSA-N 2 0 287.407 1.845 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2C[NH+](C)C[C@H]21 ZINC000425058932 374787223 /nfs/dbraw/zinc/78/72/23/374787223.db2.gz PVTYERUZHKQAIW-SOUVJXGZSA-N 2 0 279.428 1.413 10 0 CDAERP C[C@@H]1CC[C@@]2(CC[N@H+](CC(=O)N3CCN(C)CC3)C2)C1 ZINC000334336989 374922675 /nfs/dbraw/zinc/92/26/75/374922675.db2.gz UPGDMADKJYKVET-GDBMZVCRSA-N 2 0 279.428 1.273 10 0 CDAERP [NH3+]CCC(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638851376 375090585 /nfs/dbraw/zinc/09/05/85/375090585.db2.gz JEWQXPYVDCMIIX-MRXNPFEDSA-N 2 0 289.423 1.896 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000417373784 376009423 /nfs/dbraw/zinc/00/94/23/376009423.db2.gz BVKLHNBPINRIEE-CQSZACIVSA-N 2 0 282.432 1.145 10 0 CDAERP CCC[C@H](C(=O)OCC)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420356389 376335156 /nfs/dbraw/zinc/33/51/56/376335156.db2.gz CSZKGKNHPBSTTO-UKRRQHHQSA-N 2 0 268.401 1.794 10 0 CDAERP Cc1cc(C[NH+]2CCC(c3ncc[nH]3)CC2)n(C)n1 ZINC000334600867 376455254 /nfs/dbraw/zinc/45/52/54/376455254.db2.gz DLIQGNGQNMRHSZ-UHFFFAOYSA-N 2 0 259.357 1.831 10 0 CDAERP CC[NH+](CC)CC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000341073505 284575416 /nfs/dbraw/zinc/57/54/16/284575416.db2.gz VQXZKVFXDHAZEM-KBPBESRZSA-N 2 0 269.433 1.707 10 0 CDAERP Cn1c2cc(C[N@@H+]3CCCC[C@H]3CC[NH3+])ccc2oc1=O ZINC000631826437 376658563 /nfs/dbraw/zinc/65/85/63/376658563.db2.gz NAMGCTNDQNIZGD-ZDUSSCGKSA-N 2 0 289.379 1.835 10 0 CDAERP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCCCC[C@H]([NH3+])C1 ZINC000631835191 376678394 /nfs/dbraw/zinc/67/83/94/376678394.db2.gz OHYYUPYBSLFYFB-ULQDDVLXSA-N 2 0 291.439 1.121 10 0 CDAERP CCO[C@H](C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)C1CC1 ZINC000631889218 376784841 /nfs/dbraw/zinc/78/48/41/376784841.db2.gz DLDHDHMYGZFFLT-QLFBSQMISA-N 2 0 252.402 1.875 10 0 CDAERP COc1ccsc1CN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000334765007 377485157 /nfs/dbraw/zinc/48/51/57/377485157.db2.gz IBFMKRDBHYGWEC-GHMZBOCLSA-N 2 0 252.383 1.941 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000417541500 377937486 /nfs/dbraw/zinc/93/74/86/377937486.db2.gz YLDBXAFFRPWAJT-QPSCCSFWSA-N 2 0 296.459 1.547 10 0 CDAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000632916872 377976911 /nfs/dbraw/zinc/97/69/11/377976911.db2.gz RLHHSEJIJXTXGD-TXEJJXNPSA-N 2 0 298.350 1.235 10 0 CDAERP C[C@H](O)C[NH+]1CCC(C[NH2+][C@@H](C)c2cccnc2)CC1 ZINC000069511726 378193363 /nfs/dbraw/zinc/19/33/63/378193363.db2.gz SGBKQWPGCPVJOH-KBPBESRZSA-N 2 0 277.412 1.825 10 0 CDAERP C[C@H]1C[C@H](NC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC[N@@H+]1C ZINC000417755744 378590972 /nfs/dbraw/zinc/59/09/72/378590972.db2.gz RGODBTCJCXTOEA-RFQIPJPRSA-N 2 0 280.416 1.005 10 0 CDAERP CC[C@H]1C[C@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)CCO1 ZINC000657572797 412904242 /nfs/dbraw/zinc/90/42/42/412904242.db2.gz GQCLOGBTNGLSLL-XHSDSOJGSA-N 2 0 285.476 1.806 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000416998722 284801815 /nfs/dbraw/zinc/80/18/15/284801815.db2.gz BJPZXZBAJMVIPM-BARDWOONSA-N 2 0 296.459 1.486 10 0 CDAERP COC(=O)C1(C[NH+]2CCC(CC[NH+](C)C)CC2)CC1 ZINC000450281842 251206445 /nfs/dbraw/zinc/20/64/45/251206445.db2.gz DXSGZHLRNLDWFK-UHFFFAOYSA-N 2 0 268.401 1.603 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655976021 412989586 /nfs/dbraw/zinc/98/95/86/412989586.db2.gz XTNXIMCTJMCEJQ-XDQVBPFNSA-N 2 0 280.416 1.134 10 0 CDAERP OC1CCC(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000657740871 413006793 /nfs/dbraw/zinc/00/67/93/413006793.db2.gz OYXPRVLDGGVJBQ-UHFFFAOYSA-N 2 0 286.379 1.908 10 0 CDAERP COC[C@@H](C)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000075718663 285205687 /nfs/dbraw/zinc/20/56/87/285205687.db2.gz YNPXDSOOFNOUSN-CABCVRRESA-N 2 0 269.433 1.123 10 0 CDAERP CC(C)C[C@H](CNC(=O)[C@@]1([NH3+])CCC[C@@H](C)C1)[NH+](C)C ZINC000080927445 177731489 /nfs/dbraw/zinc/73/14/89/177731489.db2.gz HTGBOFDNHNNCJB-IIAWOOMASA-N 2 0 283.460 1.987 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[C@H]2C[NH+](C)C[C@@H]21 ZINC000646934540 390309946 /nfs/dbraw/zinc/30/99/46/390309946.db2.gz VACIDMNJTPBBOL-CRWXNKLISA-N 2 0 265.401 1.022 10 0 CDAERP CC[N@@H+]1CC[C@H](CN[C@H]2C[C@H](C)[NH+](C3CC3)C2)C1 ZINC000252713907 390526346 /nfs/dbraw/zinc/52/63/46/390526346.db2.gz QMJWEFWWWQAKGQ-MJBXVCDLSA-N 2 0 251.418 1.543 10 0 CDAERP O=C(c1ccc2c[nH+]cn2c1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000335426350 390850872 /nfs/dbraw/zinc/85/08/72/390850872.db2.gz UQMWJKDMKHOEQF-INIZCTEOSA-N 2 0 284.363 1.550 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H](c3ccnc(N)n3)C2)CC[NH2+]1 ZINC000415109892 391025024 /nfs/dbraw/zinc/02/50/24/391025024.db2.gz SBZTWPXRWZEVHN-MCIONIFRSA-N 2 0 289.427 1.457 10 0 CDAERP OCc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000647548896 390991065 /nfs/dbraw/zinc/99/10/65/390991065.db2.gz ZXXRHIAXPFTEKV-BPLDGKMQSA-N 2 0 278.371 1.796 10 0 CDAERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](COC)C2CCOCC2)C1 ZINC000187791561 391006873 /nfs/dbraw/zinc/00/68/73/391006873.db2.gz JKDKGGYYOQFZKK-HIFRSBDPSA-N 2 0 270.417 1.359 10 0 CDAERP CC[C@@]1(C(=O)NC[C@H](c2cccs2)[NH+](C)C)CC[NH2+]C1 ZINC000062899762 391104561 /nfs/dbraw/zinc/10/45/61/391104561.db2.gz VXJPNFFZETWVFJ-IUODEOHRSA-N 2 0 295.452 1.857 10 0 CDAERP C[N@@H+]1CCN(CC[NH2+][C@H]2CCCc3n[nH]cc32)CC1(C)C ZINC000367616388 391229965 /nfs/dbraw/zinc/22/99/65/391229965.db2.gz OCWXHEPGMQSICX-AWEZNQCLSA-N 2 0 291.443 1.403 10 0 CDAERP O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000417084245 391342666 /nfs/dbraw/zinc/34/26/66/391342666.db2.gz VTCRXTVAOPAIAX-XQLPTFJDSA-N 2 0 292.427 1.149 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000417814007 391482448 /nfs/dbraw/zinc/48/24/48/391482448.db2.gz RJNHYZHHFIHASH-BPLDGKMQSA-N 2 0 289.423 1.827 10 0 CDAERP CN(C(=O)NC[C@@]1(C)CCC[NH2+]C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000418534674 391518063 /nfs/dbraw/zinc/51/80/63/391518063.db2.gz GIWHCPFSEPURQF-ZBFHGGJFSA-N 2 0 294.443 1.254 10 0 CDAERP CCn1nncc1C[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000417869382 391525426 /nfs/dbraw/zinc/52/54/26/391525426.db2.gz LFYVWQRVWKWEEV-AWEZNQCLSA-N 2 0 279.432 1.900 10 0 CDAERP CCN1CCN(C(=O)[C@@H](C)[N@@H+]2CC(C)(C)C[C@H]2C)CC1 ZINC000412046733 391555134 /nfs/dbraw/zinc/55/51/34/391555134.db2.gz RKPHGWUNRRIADV-ZIAGYGMSSA-N 2 0 281.444 1.659 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000417830795 391499523 /nfs/dbraw/zinc/49/95/23/391499523.db2.gz RSVLHRZTJCXZHQ-RYUDHWBXSA-N 2 0 296.390 1.292 10 0 CDAERP C[C@@H]1CN(Cc2cc(-n3ccnc3)cs2)C[C@H](CO)O1 ZINC000527303495 391640054 /nfs/dbraw/zinc/64/00/54/391640054.db2.gz CNOMZTSEKJZTEY-DGCLKSJQSA-N 2 0 293.392 1.515 10 0 CDAERP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CC1COC1 ZINC000528027405 391585009 /nfs/dbraw/zinc/58/50/09/391585009.db2.gz SIUDTTLMFMVZCQ-CZUORRHYSA-N 2 0 275.396 1.528 10 0 CDAERP OC[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cccnc1 ZINC000647796870 391648572 /nfs/dbraw/zinc/64/85/72/391648572.db2.gz QCVMYNSNGKNBML-FXUDXRNXSA-N 2 0 275.396 1.135 10 0 CDAERP C[C@H]1COCC[C@@H]1[NH2+]CCCC[NH+]1CCOCC1 ZINC000192478230 140141859 /nfs/dbraw/zinc/14/18/59/140141859.db2.gz SSHBYMIWVSZQGL-KBPBESRZSA-N 2 0 256.390 1.113 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000418196644 391804359 /nfs/dbraw/zinc/80/43/59/391804359.db2.gz DNNKWTINNOTIMD-IHRRRGAJSA-N 2 0 284.448 1.404 10 0 CDAERP CN(C)c1cc[nH+]cc1C(=O)N1CCC(C)([NH3+])CC1 ZINC000648121312 391854387 /nfs/dbraw/zinc/85/43/87/391854387.db2.gz BSMQYRKMZWHJCS-UHFFFAOYSA-N 2 0 262.357 1.101 10 0 CDAERP COCC[N@@H+]1CCC[C@@H]1CN[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246986191 391894149 /nfs/dbraw/zinc/89/41/49/391894149.db2.gz KJMNTEFLZBSVPR-SOUVJXGZSA-N 2 0 269.433 1.170 10 0 CDAERP C[C@H]1CC[NH2+][C@H](C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000649319226 392011572 /nfs/dbraw/zinc/01/15/72/392011572.db2.gz PUIKMJLXMAAFGF-FZMZJTMJSA-N 2 0 285.351 1.594 10 0 CDAERP CC[C@H]1CN(CCC[NH+]2CCCCC2)CC[N@@H+]1C[C@H](C)O ZINC000249429426 391948518 /nfs/dbraw/zinc/94/85/18/391948518.db2.gz JKPFHZXQOSNHIA-IRXDYDNUSA-N 2 0 297.487 1.639 10 0 CDAERP [NH3+][C@@H](CC(F)F)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000649319106 392012834 /nfs/dbraw/zinc/01/28/34/392012834.db2.gz HMFVWFGRUGJAPZ-JTQLQIEISA-N 2 0 281.266 1.188 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@@H](CO)Cc1ccc(F)c(F)c1 ZINC000423068622 392314462 /nfs/dbraw/zinc/31/44/62/392314462.db2.gz CHURXEHTBLUIGY-NILFDRSVSA-N 2 0 284.350 1.585 10 0 CDAERP C[C@@H]1CCNC[C@@H]1[NH2+]C[C@@H](CO)Cc1ccc(F)c(F)c1 ZINC000423070641 392314724 /nfs/dbraw/zinc/31/47/24/392314724.db2.gz GNSIGCAZQIKCAM-FFSVYQOJSA-N 2 0 298.377 1.703 10 0 CDAERP CCC[NH+]1CCC(NC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000529313892 392318169 /nfs/dbraw/zinc/31/81/69/392318169.db2.gz RFZRHFHJCMPIEI-JSGCOSHPSA-N 2 0 282.432 1.301 10 0 CDAERP C1CCC2(C1)[C@H]([NH2+]C1CC[NH2+]CC1)[C@@H]1CCO[C@@H]12 ZINC000423026793 392283479 /nfs/dbraw/zinc/28/34/79/392283479.db2.gz ODJPIGUYAIXWOE-MJBXVCDLSA-N 2 0 250.386 1.676 10 0 CDAERP CO[C@@H](C)C[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000442998644 392362417 /nfs/dbraw/zinc/36/24/17/392362417.db2.gz DWWOTKKUWZTRFU-NSHDSACASA-N 2 0 260.341 1.700 10 0 CDAERP Cc1cc(C)n2c(C[NH2+]C[C@H]3CCC[NH2+]C3)cnc2n1 ZINC000573936109 392472494 /nfs/dbraw/zinc/47/24/94/392472494.db2.gz KCVDQMJSBZVTQS-ZDUSSCGKSA-N 2 0 273.384 1.435 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CCC[NH+]2C)C[N@@H+]1C1CC1 ZINC000126797510 392588152 /nfs/dbraw/zinc/58/81/52/392588152.db2.gz IIXRJIGTSZPFFN-BZPMIXESSA-N 2 0 280.416 1.005 10 0 CDAERP CCC[C@H](C(=O)N(C)C[C@@H]1CCC[N@@H+]1CC)[NH+](C)C ZINC000127229832 392608362 /nfs/dbraw/zinc/60/83/62/392608362.db2.gz MTFFXPGUDFFVQC-UONOGXRCSA-N 2 0 269.433 1.659 10 0 CDAERP CCC[C@H](C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO)[NH+](C)C ZINC000128883459 392754872 /nfs/dbraw/zinc/75/48/72/392754872.db2.gz GXNIAGDNVBNIKS-HUUCEWRRSA-N 2 0 299.459 1.070 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000517133282 392838537 /nfs/dbraw/zinc/83/85/37/392838537.db2.gz CLQSMJMXUDQTDM-DGCLKSJQSA-N 2 0 253.390 1.104 10 0 CDAERP C[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1CCC[NH2+]C1 ZINC000516759639 392777467 /nfs/dbraw/zinc/77/74/67/392777467.db2.gz SLAMHUADGVPYTL-BYNSBNAKSA-N 2 0 251.418 1.591 10 0 CDAERP O[C@@H](C[NH2+][C@@H]1CCCSCC1)C[NH+]1CCCCC1 ZINC000657843905 413055798 /nfs/dbraw/zinc/05/57/98/413055798.db2.gz FEQHKQKTIDFEPN-KGLIPLIRSA-N 2 0 272.458 1.709 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1[NH2+]CCCC1(C)C)[N@H+](C)C1CC1 ZINC000219943078 392988912 /nfs/dbraw/zinc/98/89/12/392988912.db2.gz AXKJZUZWSNNKMK-AAEUAGOBSA-N 2 0 267.417 1.364 10 0 CDAERP O[C@H](C[NH2+][C@@H]1CCCC12CC2)C[NH+]1CCCCC1 ZINC000657846368 413056541 /nfs/dbraw/zinc/05/65/41/413056541.db2.gz NKJMTDKUPLPEOT-ZIAGYGMSSA-N 2 0 252.402 1.756 10 0 CDAERP COC[C@H](C)C[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000131890670 393079571 /nfs/dbraw/zinc/07/95/71/393079571.db2.gz CMNLBVPKKIEYRG-CABCVRRESA-N 2 0 271.449 1.131 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CCC(=O)NC1(C)C)C[NH+]1CCCCC1 ZINC000494925275 393132819 /nfs/dbraw/zinc/13/28/19/393132819.db2.gz STWKYQOJBZKGAX-ZIAGYGMSSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)[C@H]1C ZINC000495045297 393164400 /nfs/dbraw/zinc/16/44/00/393164400.db2.gz DORYKRAIWJYBMI-IJEWVQPXSA-N 2 0 267.461 1.894 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)[C@H]1C ZINC000495045298 393164412 /nfs/dbraw/zinc/16/44/12/393164412.db2.gz DORYKRAIWJYBMI-YCPHGPKFSA-N 2 0 267.461 1.894 10 0 CDAERP CCc1nccn1[C@@H](C)CC(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000648795497 393364233 /nfs/dbraw/zinc/36/42/33/393364233.db2.gz MZRAPEFGPDFVRB-UONOGXRCSA-N 2 0 292.427 1.949 10 0 CDAERP [NH3+]CC1(CC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CCCCC1 ZINC000185350022 140038338 /nfs/dbraw/zinc/03/83/38/140038338.db2.gz APTUFPQTVYAKEF-CQSZACIVSA-N 2 0 279.428 1.592 10 0 CDAERP C[C@@H]([NH3+])CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261552885 140345800 /nfs/dbraw/zinc/34/58/00/140345800.db2.gz SAEACRUQPOYQHF-UKRRQHHQSA-N 2 0 275.396 1.457 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000261653794 140370312 /nfs/dbraw/zinc/37/03/12/140370312.db2.gz YOCBUWPFFUWSOZ-YPMHNXCESA-N 2 0 262.353 1.545 10 0 CDAERP [NH3+]Cc1ccc(-c2noc(C[C@H]3CSCC[NH2+]3)n2)cc1 ZINC000261690703 140375368 /nfs/dbraw/zinc/37/53/68/140375368.db2.gz AWFQBNRWJFHAKK-LBPRGKRZSA-N 2 0 290.392 1.443 10 0 CDAERP CC1(C)C[N@H+](Cc2ccc(-n3cncn3)cc2)CC[C@H]1[NH3+] ZINC000261726707 140380714 /nfs/dbraw/zinc/38/07/14/140380714.db2.gz JPPRDSPFYBPAOV-OAHLLOKOSA-N 2 0 285.395 1.827 10 0 CDAERP CC(C)[N@H+](C)C[C@@H](O)CN1C[C@@H](C)O[C@H](C)[C@H]1C ZINC000660373945 413085874 /nfs/dbraw/zinc/08/58/74/413085874.db2.gz FCYREZAYJJJBSX-AAVRWANBSA-N 2 0 258.406 1.185 10 0 CDAERP CC(C)C[C@H]([NH2+][C@@H]1CCC1(C)C)C(=O)NCC[NH+](C)C ZINC000342718521 397627275 /nfs/dbraw/zinc/62/72/75/397627275.db2.gz YQCQKXXMYIKLFX-UONOGXRCSA-N 2 0 283.460 1.857 10 0 CDAERP C[NH2+][C@H](CC(C)(C)C)C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000387557325 397715675 /nfs/dbraw/zinc/71/56/75/397715675.db2.gz WKYDNWACDHQPSU-KGLIPLIRSA-N 2 0 281.444 1.563 10 0 CDAERP CC(C)C[C@@H]([NH3+])C(=O)NC1CCN(c2ccccn2)CC1 ZINC000037008454 398054082 /nfs/dbraw/zinc/05/40/82/398054082.db2.gz UZLQOWXVHXKOAV-CQSZACIVSA-N 2 0 290.411 1.540 10 0 CDAERP COC1([C@@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)CCOCC1 ZINC000453202080 292133707 /nfs/dbraw/zinc/13/37/07/292133707.db2.gz YFKVLRSIAGZDEZ-CQSZACIVSA-N 2 0 284.444 1.892 10 0 CDAERP CN(CC[NH2+]CC1CC1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001663981568 1172797407 /nfs/dbraw/zinc/79/74/07/1172797407.db2.gz LGMYQIXMZWFCOT-INIZCTEOSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000658107794 413207588 /nfs/dbraw/zinc/20/75/88/413207588.db2.gz JEZCYXFQCSMMRH-JKSUJKDBSA-N 3 0 298.519 1.578 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)[NH+](C)C ZINC000154655995 289213645 /nfs/dbraw/zinc/21/36/45/289213645.db2.gz FGXHNCJIUHHGPY-YNEHKIRRSA-N 2 0 255.406 1.172 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000177851338 148044188 /nfs/dbraw/zinc/04/41/88/148044188.db2.gz ZMJJVFJXXAANQP-CABCVRRESA-N 2 0 298.475 1.700 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)CC[C@H](C)[NH3+])[C@H](C)C1 ZINC000248844540 286060273 /nfs/dbraw/zinc/06/02/73/286060273.db2.gz HGXVKIVHETVUJU-ILXRZTDVSA-N 2 0 299.459 1.367 10 0 CDAERP CN(CC[NH2+]CCC(F)(F)F)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001664308991 1172838770 /nfs/dbraw/zinc/83/87/70/1172838770.db2.gz BQHMJNOTPVJTJM-LLVKDONJSA-N 2 0 295.349 1.329 10 0 CDAERP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(C[NH3+])cc2)C1 ZINC000335049937 150230020 /nfs/dbraw/zinc/23/00/20/150230020.db2.gz ZVQKHIBXEOTENX-CVEARBPZSA-N 2 0 287.407 1.702 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](C)CC1 ZINC000343251641 152086086 /nfs/dbraw/zinc/08/60/86/152086086.db2.gz IHRHWHNPJFNYEZ-AWEZNQCLSA-N 2 0 265.401 1.239 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662660825 413266276 /nfs/dbraw/zinc/26/62/76/413266276.db2.gz HFWAGRXEPHPTNI-ZDUSSCGKSA-N 2 0 265.401 1.262 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC000347054901 153394841 /nfs/dbraw/zinc/39/48/41/153394841.db2.gz YOOWJVRVBOHTRI-INIZCTEOSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC000347054902 153395758 /nfs/dbraw/zinc/39/57/58/153395758.db2.gz YOOWJVRVBOHTRI-MRXNPFEDSA-N 2 0 295.471 1.955 10 0 CDAERP O=C(NCCC[NH+]1CCCCC1)C1([NH2+]C2CC2)CCC1 ZINC000662671688 413285625 /nfs/dbraw/zinc/28/56/25/413285625.db2.gz OVMIZZWDESLBGT-UHFFFAOYSA-N 2 0 279.428 1.653 10 0 CDAERP COc1cc([C@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)ccc1F ZINC000349205179 154068634 /nfs/dbraw/zinc/06/86/34/154068634.db2.gz YVLMZLLXVLHGEM-LBPRGKRZSA-N 2 0 296.386 1.942 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(C(C)(C)[NH3+])no2)C1 ZINC000662673505 413290535 /nfs/dbraw/zinc/29/05/35/413290535.db2.gz LPOHSWSLQZEKBN-NSHDSACASA-N 2 0 294.399 1.425 10 0 CDAERP CC[NH+]1CCC(NC(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000350091346 154326144 /nfs/dbraw/zinc/32/61/44/154326144.db2.gz WJEAXCDKGIMDJN-OAHLLOKOSA-N 2 0 281.444 1.851 10 0 CDAERP CC(C)C[C@@H](CNC(=O)C1([NH3+])CC2(CCC2)C1)[NH+](C)C ZINC000662674130 413294468 /nfs/dbraw/zinc/29/44/68/413294468.db2.gz VXYFEPALLIPTIT-ZDUSSCGKSA-N 2 0 281.444 1.741 10 0 CDAERP [NH3+]CC12CC(C1)CN2C(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000662680224 413300493 /nfs/dbraw/zinc/30/04/93/413300493.db2.gz HZIMADCXEYIGQT-DNCHLWJUSA-N 2 0 265.401 1.234 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)CC1([NH3+])CC1)c1ccsc1 ZINC000662679463 413300592 /nfs/dbraw/zinc/30/05/92/413300592.db2.gz OMGBYLNAKJTHSZ-LLVKDONJSA-N 2 0 267.398 1.348 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000662732686 413399941 /nfs/dbraw/zinc/39/99/41/413399941.db2.gz MRXXLZCQAXHWDV-AGIUHOORSA-N 2 0 253.390 1.007 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000373516477 160207472 /nfs/dbraw/zinc/20/74/72/160207472.db2.gz PUJWLECYFBZRBQ-TZMCWYRMSA-N 2 0 290.411 1.140 10 0 CDAERP C[C@]1(CNC(=O)C2([NH2+]C3CC3)CCC2)CCC[NH2+]C1 ZINC000662764762 413460056 /nfs/dbraw/zinc/46/00/56/413460056.db2.gz NYDUONBFEPQARN-AWEZNQCLSA-N 2 0 265.401 1.167 10 0 CDAERP C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2C[NH3+])CCO1 ZINC000022153370 171360853 /nfs/dbraw/zinc/36/08/53/171360853.db2.gz XGGMQPMEMVLTKJ-LBPRGKRZSA-N 2 0 277.368 1.195 10 0 CDAERP C[C@@H]1C[N@H+](CCCC(=O)Nc2ccc(C[NH3+])cc2)CCO1 ZINC000022154755 171361682 /nfs/dbraw/zinc/36/16/82/171361682.db2.gz XYOSHPIWBXKVGL-CYBMUJFWSA-N 2 0 291.395 1.585 10 0 CDAERP CCC[NH+]1CCN(C[C@H]([NH3+])c2ccc3c(c2)OCO3)CC1 ZINC000022563816 171391078 /nfs/dbraw/zinc/39/10/78/171391078.db2.gz DIXQGUMWIVHJOX-AWEZNQCLSA-N 2 0 291.395 1.443 10 0 CDAERP CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1ccccc1C[NH2+]C ZINC000653210654 412140775 /nfs/dbraw/zinc/14/07/75/412140775.db2.gz DWKWCYUYCQUHIQ-RISCZKNCSA-N 2 0 263.385 1.396 10 0 CDAERP CC[C@H]1CN(C(=O)C2([NH2+]C3CC3)CCC2)CC[C@H]1[NH3+] ZINC000662776101 413481484 /nfs/dbraw/zinc/48/14/84/413481484.db2.gz UQCYFIFUXGKTRN-WCQYABFASA-N 2 0 265.401 1.247 10 0 CDAERP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)CC1([NH3+])CC1 ZINC000662778907 413484509 /nfs/dbraw/zinc/48/45/09/413484509.db2.gz NURCIYLECXIOHM-UHFFFAOYSA-N 2 0 293.386 1.597 10 0 CDAERP [NH3+]C1(CC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000662805695 413525162 /nfs/dbraw/zinc/52/51/62/413525162.db2.gz MHUNFWIDGPIMIU-JSGCOSHPSA-N 2 0 277.412 1.343 10 0 CDAERP COC[C@H](C)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656783611 413651160 /nfs/dbraw/zinc/65/11/60/413651160.db2.gz RFYLKHOPQWFNIF-UKRRQHHQSA-N 2 0 254.418 1.981 10 0 CDAERP CCN(C(=O)NCC1([NH+](C)C)CCC1)[C@@H]1CC[N@H+](CC)C1 ZINC000664720591 413616617 /nfs/dbraw/zinc/61/66/17/413616617.db2.gz MJVODWZDSWONPZ-CQSZACIVSA-N 2 0 296.459 1.596 10 0 CDAERP O=C(CC[NH2+]C1CC1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659349563 413739228 /nfs/dbraw/zinc/73/92/28/413739228.db2.gz JXUXDYHKGFRWDF-HZPDHXFCSA-N 2 0 287.407 1.390 10 0 CDAERP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)[C@@H]1CCC[NH2+]1 ZINC000659370828 413753484 /nfs/dbraw/zinc/75/34/84/413753484.db2.gz WXZLRSSFHGCTNB-UONOGXRCSA-N 2 0 275.352 1.038 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000659442589 413826022 /nfs/dbraw/zinc/82/60/22/413826022.db2.gz PGFCUICXPKNEHM-RRFJBIMHSA-N 2 0 298.475 1.779 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000659446600 413831700 /nfs/dbraw/zinc/83/17/00/413831700.db2.gz QNOAGOQQAHDWTN-LSDHHAIUSA-N 2 0 298.475 1.779 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000659467539 413857632 /nfs/dbraw/zinc/85/76/32/413857632.db2.gz NYRBDZIRWKKDRG-QWHCGFSZSA-N 2 0 286.464 1.635 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCc2cc(N)ccc21 ZINC000665273034 414006487 /nfs/dbraw/zinc/00/64/87/414006487.db2.gz PFJOVXBAPSSWRE-DZGCQCFKSA-N 2 0 263.385 1.600 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H](NCC23CC(C2)C[NH2+]3)[C@@H](C)C1 ZINC000665277743 414016218 /nfs/dbraw/zinc/01/62/18/414016218.db2.gz KKQZFTJRESDEKG-SOEBMCCKSA-N 2 0 295.471 1.465 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cnc(C(F)(F)F)nc1 ZINC000665234522 413958352 /nfs/dbraw/zinc/95/83/52/413958352.db2.gz FDNAHDLUXCWOJF-UWVGGRQHSA-N 2 0 274.290 1.712 10 0 CDAERP CC(C)[NH+](CCNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1)C(C)C ZINC000407435722 413962405 /nfs/dbraw/zinc/96/24/05/413962405.db2.gz ROFMXJNZWFWLCZ-LSDHHAIUSA-N 2 0 281.444 1.752 10 0 CDAERP FC1(F)C[C@@H]1OCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000665243915 413976071 /nfs/dbraw/zinc/97/60/71/413976071.db2.gz AXLXPIBAXFCLHL-XQHKEYJVSA-N 2 0 290.354 1.157 10 0 CDAERP C[C@H]1C[N@H+](C)C[C@@H]1N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665254145 413980530 /nfs/dbraw/zinc/98/05/30/413980530.db2.gz IQQJEVFZNKNBMI-DXEWXGHRSA-N 2 0 291.414 1.811 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000665263947 413988524 /nfs/dbraw/zinc/98/85/24/413988524.db2.gz YPBIMGRFOWETEK-IWTMDLJTSA-N 2 0 252.402 1.765 10 0 CDAERP CC(C)[C@H]([NH3+])CCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000665282469 414021490 /nfs/dbraw/zinc/02/14/90/414021490.db2.gz YZYMBFOLNBRGAH-KBUPBQIOSA-N 2 0 253.434 1.822 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]CCC(=O)OC)C1 ZINC000037222224 173041791 /nfs/dbraw/zinc/04/17/91/173041791.db2.gz GQIKOBYDZNMECP-CHWSQXEVSA-N 2 0 256.390 1.650 10 0 CDAERP CCC[NH+]1CCC([C@@H](C)[NH2+]CCC(=O)OC)CC1 ZINC000037222216 173042582 /nfs/dbraw/zinc/04/25/82/173042582.db2.gz LCNQIOKYWOVFPF-GFCCVEGCSA-N 2 0 256.390 1.650 10 0 CDAERP CCN(C)C(=O)C[NH2+][C@H](C)CCC[NH+](CC)CC ZINC000037223277 173043594 /nfs/dbraw/zinc/04/35/94/173043594.db2.gz PRKKMJSRHCXEFR-CYBMUJFWSA-N 2 0 257.422 1.565 10 0 CDAERP CC[C@@H](C)NC(=O)[C@H](C)[N@H+](CCC[NH3+])C1CCCC1 ZINC000037299696 173105145 /nfs/dbraw/zinc/10/51/45/173105145.db2.gz MDZBXCVGAAZUIF-OLZOCXBDSA-N 2 0 269.433 1.883 10 0 CDAERP C[C@@H]1CN(C(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)C[C@H](C)[N@H+]1C ZINC000661406703 414059998 /nfs/dbraw/zinc/05/99/98/414059998.db2.gz FXYQFAZMEZWUMN-MJBXVCDLSA-N 2 0 296.459 1.593 10 0 CDAERP C[NH+]1CCC[C@@H](NC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000655131460 414076151 /nfs/dbraw/zinc/07/61/51/414076151.db2.gz AVYNNOZOBXJPTO-UONOGXRCSA-N 2 0 282.432 1.112 10 0 CDAERP CC[C@@H]1C[C@@H]([NH2+]CCCN2CC[NH+](CC)CC2)CO1 ZINC000657307484 414160740 /nfs/dbraw/zinc/16/07/40/414160740.db2.gz DKYHDSRAWFPADR-HUUCEWRRSA-N 2 0 269.433 1.171 10 0 CDAERP CO[C@@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)[C@H]1CCOC1 ZINC000659842899 414171985 /nfs/dbraw/zinc/17/19/85/414171985.db2.gz HKMKLBWCDHDOTN-IRXDYDNUSA-N 2 0 296.455 1.846 10 0 CDAERP CC(C)[NH+]1CCC([NH2+]C[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000655803035 414193678 /nfs/dbraw/zinc/19/36/78/414193678.db2.gz KZYACAIUNHHILG-OAGGEKHMSA-N 2 0 297.487 1.947 10 0 CDAERP CC[C@@H]1C[C@H]([NH2+]C[C@H](C)CN2CC[NH+](CC)CC2)CO1 ZINC000657347814 414205652 /nfs/dbraw/zinc/20/56/52/414205652.db2.gz YBUJADLKRYEYJV-HRCADAONSA-N 2 0 283.460 1.417 10 0 CDAERP Cn1nc(C(F)(F)F)cc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000657349998 414211925 /nfs/dbraw/zinc/21/19/25/414211925.db2.gz XFDHDQAWUUROIF-UHFFFAOYSA-N 2 0 290.333 1.870 10 0 CDAERP CC[C@H](C)[NH2+]CC(=O)NCC[NH+](C(C)C)C(C)C ZINC000037616912 173565464 /nfs/dbraw/zinc/56/54/64/173565464.db2.gz BRVLCMKDNWDJRB-ZDUSSCGKSA-N 2 0 257.422 1.610 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)CC[NH2+]C(C)C ZINC000037618393 173567154 /nfs/dbraw/zinc/56/71/54/173567154.db2.gz FLSBVLMGGMNCJI-CYBMUJFWSA-N 2 0 257.422 1.467 10 0 CDAERP C[C@]1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCCO1 ZINC000657396934 414280702 /nfs/dbraw/zinc/28/07/02/414280702.db2.gz RACJJSNMLGXAQY-OAHLLOKOSA-N 2 0 272.352 1.926 10 0 CDAERP CCN(C(=O)NCC[NH+]1CCC(C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000663629960 414380882 /nfs/dbraw/zinc/38/08/82/414380882.db2.gz OTNJUFDCZRSMOQ-OAHLLOKOSA-N 2 0 296.459 1.454 10 0 CDAERP CCN(C(=O)N[C@@H](C)C[NH+]1CCCCC1)[C@@H]1CC[N@H+](C)C1 ZINC000663640656 414384695 /nfs/dbraw/zinc/38/46/95/414384695.db2.gz GFLLQHOYTFEBNN-LSDHHAIUSA-N 2 0 296.459 1.596 10 0 CDAERP CCN(C(=O)NC[C@H](C)C[NH+]1CCCC1)[C@H]1CC[N@H+](C)C1 ZINC000663734859 414432786 /nfs/dbraw/zinc/43/27/86/414432786.db2.gz CNOSKHBMUJZJKI-GJZGRUSLSA-N 2 0 296.459 1.454 10 0 CDAERP CC(C)CCCOC[C@@H](O)C[NH2+]CCC[NH+](C)C ZINC000037851699 173804327 /nfs/dbraw/zinc/80/43/27/173804327.db2.gz BMIMAPCJXTUOQY-AWEZNQCLSA-N 2 0 260.422 1.341 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccnn2CC2CC2)C1 ZINC000657504177 414404722 /nfs/dbraw/zinc/40/47/22/414404722.db2.gz FDPSWCRBGFYDPF-OTVXOJSOSA-N 2 0 262.401 1.723 10 0 CDAERP C[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@@H](CCO)c1ccccc1 ZINC000662254031 414587370 /nfs/dbraw/zinc/58/73/70/414587370.db2.gz DLXAGWGVZSWJMC-CVEARBPZSA-N 2 0 290.407 1.563 10 0 CDAERP C[C@H](c1cccc(O)c1)[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662257761 414592192 /nfs/dbraw/zinc/59/21/92/414592192.db2.gz PSOMLUGGIBSGCK-IUODEOHRSA-N 2 0 276.380 1.906 10 0 CDAERP C(C1CCCCC1)[NH+]1CCN(C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662261303 414597229 /nfs/dbraw/zinc/59/72/29/414597229.db2.gz XEWSLTAHOOGJOM-INIZCTEOSA-N 2 0 281.444 1.173 10 0 CDAERP C[NH+](C)CCC[C@@H]1C[N@H+](CC2(C)COC2)CCO1 ZINC000662318935 414637154 /nfs/dbraw/zinc/63/71/54/414637154.db2.gz BMVWOTIMHVLEBZ-CYBMUJFWSA-N 2 0 256.390 1.066 10 0 CDAERP CO[C@H]1C[NH2+][C@H](C(=O)Nc2ccc(C[NH+](C)C)cc2)C1 ZINC000040633540 174360077 /nfs/dbraw/zinc/36/00/77/174360077.db2.gz PVRVCYSZDDKUFG-KGLIPLIRSA-N 2 0 277.368 1.064 10 0 CDAERP CC[NH+]1CCC([C@@H](C)[NH2+]CCc2nccn2C)CC1 ZINC000040639028 174363328 /nfs/dbraw/zinc/36/33/28/174363328.db2.gz GODFGCGOKLHHTM-CYBMUJFWSA-N 2 0 264.417 1.673 10 0 CDAERP [NH3+]C[C@H]([C@H]1CCOC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000040693759 174378020 /nfs/dbraw/zinc/37/80/20/174378020.db2.gz QWGPZCJLJKQOJZ-GOEBONIOSA-N 2 0 281.444 1.301 10 0 CDAERP CC(C)(C)[NH+]1CCN([C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000042461334 174751566 /nfs/dbraw/zinc/75/15/66/174751566.db2.gz ZRFPQOXWSWJSBH-ZIAGYGMSSA-N 2 0 253.434 1.920 10 0 CDAERP CCC[NH+]1CCN([C@@H](c2cccnc2)[C@H]([NH3+])CC)CC1 ZINC000043345646 175016714 /nfs/dbraw/zinc/01/67/14/175016714.db2.gz GTBQUAFORVSNSB-CVEARBPZSA-N 2 0 276.428 1.888 10 0 CDAERP CC[C@@H]([NH3+])[C@@H](c1ccncc1)N1CC[NH+](CC)CC1 ZINC000043353012 175020479 /nfs/dbraw/zinc/02/04/79/175020479.db2.gz RMQTUIHIPAXPBL-HUUCEWRRSA-N 2 0 262.401 1.498 10 0 CDAERP CC(C)CN(CC[NH+](C)C)[C@@H]([C@@H](C)[NH3+])C(F)(F)F ZINC000043379253 175030928 /nfs/dbraw/zinc/03/09/28/175030928.db2.gz GSARARJKJJRXPK-MNOVXSKESA-N 2 0 269.355 1.784 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCC[NH2+]CCCC(=O)N(C)C ZINC000043448225 175049155 /nfs/dbraw/zinc/04/91/55/175049155.db2.gz WHKLFOANQBBWQW-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N1CC[NH+](C)CC1 ZINC000043810940 175110481 /nfs/dbraw/zinc/11/04/81/175110481.db2.gz GAJFQLFMRYRCGH-ILXRZTDVSA-N 2 0 253.434 1.791 10 0 CDAERP C[NH2+][C@@H](CN1CC[NH+](C(C)C)CC1)c1ccc(OC)cc1 ZINC000043896931 175119869 /nfs/dbraw/zinc/11/98/69/175119869.db2.gz SGYBKYKFKDGQEE-KRWDZBQOSA-N 2 0 291.439 1.982 10 0 CDAERP C[NH2+][C@@H](CN1CC[NH+](C2CC2)CC1)c1ccc(OC)cc1 ZINC000043967547 175128332 /nfs/dbraw/zinc/12/83/32/175128332.db2.gz RLISVPCCLGXOPC-KRWDZBQOSA-N 2 0 289.423 1.736 10 0 CDAERP C[NH2+][C@H]1CCCCC[C@H]1N(CCOC)[C@@H](C)COC ZINC000043975553 175132370 /nfs/dbraw/zinc/13/23/70/175132370.db2.gz SZXCFSIWUOIERR-SOUVJXGZSA-N 2 0 272.433 1.890 10 0 CDAERP CC[NH2+][C@@H]1CCC[C@@H]1N(C)C1CC[NH+](CC)CC1 ZINC000043978260 175133214 /nfs/dbraw/zinc/13/32/14/175133214.db2.gz RCKUCJFDIQMHOX-CABCVRRESA-N 2 0 253.434 1.933 10 0 CDAERP C[C@@H]1CC[C@H](O)[C@H]([NH+]2CCC(C[NH+](C)C)CC2)C1 ZINC000044169658 175148636 /nfs/dbraw/zinc/14/86/36/175148636.db2.gz OZLVSGMNVOQEPS-YUELXQCFSA-N 2 0 254.418 1.810 10 0 CDAERP CCC[NH+]1CCN([C@@H](c2ccncc2)[C@H]([NH3+])CC)CC1 ZINC000044419062 175173740 /nfs/dbraw/zinc/17/37/40/175173740.db2.gz SVYAFANGDPXIQC-CVEARBPZSA-N 2 0 276.428 1.888 10 0 CDAERP CC[NH+]1CCC(C[NH2+][C@@H](C)C(=O)NCCC(C)C)CC1 ZINC000044518669 175191179 /nfs/dbraw/zinc/19/11/79/175191179.db2.gz OXBQTEFCFINWQD-AWEZNQCLSA-N 2 0 283.460 1.859 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CNC(=O)C[NH2+]C1CCCC1 ZINC000044564504 175207820 /nfs/dbraw/zinc/20/78/20/175207820.db2.gz OJIANDUPGYMXSJ-ZDUSSCGKSA-N 2 0 253.390 1.119 10 0 CDAERP CCC[NH2+][C@H]1CCN([C@@H]2CC[N@@H+](C3CC3)C2)C[C@@H]1C ZINC000044725441 175238265 /nfs/dbraw/zinc/23/82/65/175238265.db2.gz ISGKJSHXXJUSCI-IMJJTQAJSA-N 2 0 265.445 1.933 10 0 CDAERP CCOC(=O)C[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000045134754 175312472 /nfs/dbraw/zinc/31/24/72/175312472.db2.gz OEYIRVWNDPAAHZ-OLZOCXBDSA-N 2 0 256.390 1.648 10 0 CDAERP CC(C)[C@H](C[NH3+])C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000045135574 175313364 /nfs/dbraw/zinc/31/33/64/175313364.db2.gz FJYICNQQNLDRKL-OLZOCXBDSA-N 2 0 255.406 1.064 10 0 CDAERP CC[NH2+][C@](C)(CCCC[N@@H+]1CCC[C@@H]1C)C(N)=O ZINC000045367800 175362870 /nfs/dbraw/zinc/36/28/70/175362870.db2.gz NSOVYNXIQMIZNV-GXTWGEPZSA-N 2 0 255.406 1.495 10 0 CDAERP CC1CC[NH+](CCCC[C@@](C)([NH2+]C2CC2)C(N)=O)CC1 ZINC000045374869 175365405 /nfs/dbraw/zinc/36/54/05/175365405.db2.gz YZKWYRLRQWDPOO-MRXNPFEDSA-N 2 0 281.444 1.885 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCCC[C@](C)([NH3+])C(N)=O ZINC000045379580 175368644 /nfs/dbraw/zinc/36/86/44/175368644.db2.gz PQVSZRYZKKBERY-SCRDCRAPSA-N 2 0 255.406 1.622 10 0 CDAERP CC(C)[NH2+][C@@](C)(CCCC[N@@H+]1CCCN(C)CC1)C(N)=O ZINC000045380369 175369247 /nfs/dbraw/zinc/36/92/47/175369247.db2.gz NHMHCOKQHXGKKI-INIZCTEOSA-N 2 0 298.475 1.036 10 0 CDAERP CCOC(=O)[C@](C)([NH3+])CCCC[N@H+](CC)C1CC1 ZINC000045386334 175373275 /nfs/dbraw/zinc/37/32/75/175373275.db2.gz WGCUWBXAEXNYDH-CQSZACIVSA-N 2 0 256.390 1.922 10 0 CDAERP CC[N@H+](CCC[C@@](C)([NH2+]C)C(N)=O)C1CCCC1 ZINC000045390610 175374288 /nfs/dbraw/zinc/37/42/88/175374288.db2.gz XVQZKFLNWHKMFB-CQSZACIVSA-N 2 0 255.406 1.495 10 0 CDAERP CCC[NH2+][C@@](C)(CCC[N@H+](C)[C@@H](C)C1CC1)C(N)=O ZINC000045393048 175375393 /nfs/dbraw/zinc/37/53/93/175375393.db2.gz QXXCZDXVUCBEPL-WFASDCNBSA-N 2 0 269.433 1.741 10 0 CDAERP CCC[NH2+][C@@H]1CCCN(CCC[NH+]2CCCC2)C1=O ZINC000071031415 176022595 /nfs/dbraw/zinc/02/25/95/176022595.db2.gz DTNIQJCVWRIUKJ-CQSZACIVSA-N 2 0 267.417 1.463 10 0 CDAERP CCC[NH2+][C@H]1CCN([C@@H](C[NH+](C)C)C(C)C)C1=O ZINC000071034275 176024286 /nfs/dbraw/zinc/02/42/86/176024286.db2.gz FBBLWMYMHUKGIQ-STQMWFEESA-N 2 0 255.406 1.173 10 0 CDAERP CCC[NH2+][C@H]1CCN([C@@H](C)C[NH+]2CCCC2)C1=O ZINC000071033579 176024475 /nfs/dbraw/zinc/02/44/75/176024475.db2.gz FMWSDTRHTCQAGT-STQMWFEESA-N 2 0 253.390 1.071 10 0 CDAERP CC(C)[NH+](CCN1CC[C@@H]([NH2+]C2CC2)C1=O)C(C)C ZINC000071036155 176025526 /nfs/dbraw/zinc/02/55/26/176025526.db2.gz ADSABKOOUKRYNU-CQSZACIVSA-N 2 0 267.417 1.458 10 0 CDAERP CC[NH+]1CCC(CN2CCC[C@@H]([NH2+]C(C)C)C2=O)CC1 ZINC000071036470 176026138 /nfs/dbraw/zinc/02/61/38/176026138.db2.gz OQNHCQNXQLFHRJ-OAHLLOKOSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@H]1CCC[C@@](C[NH3+])(N2CC[C@H]([NH+](C)C)C2)C1 ZINC000071124801 176035440 /nfs/dbraw/zinc/03/54/40/176035440.db2.gz OYTGFUASKOLELI-SOUVJXGZSA-N 2 0 253.434 1.920 10 0 CDAERP COc1ccccc1[C@@H]([C@H](C)[NH3+])N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188042 176061341 /nfs/dbraw/zinc/06/13/41/176061341.db2.gz QTJRVJYSFCSZFP-JJRVBVJISA-N 2 0 291.439 1.967 10 0 CDAERP Cc1ccc([C@@H]([C@@H](C)[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)o1 ZINC000071187906 176061966 /nfs/dbraw/zinc/06/19/66/176061966.db2.gz OADCQBAQYJAIMT-UMVBOHGHSA-N 2 0 265.401 1.860 10 0 CDAERP CN(C[C@H]1CC[N@H+](C)C1)[C@@H](C[NH3+])c1cccc(F)c1 ZINC000071188000 176062334 /nfs/dbraw/zinc/06/23/34/176062334.db2.gz GSNPQMPCGLEZQB-WFASDCNBSA-N 2 0 265.376 1.709 10 0 CDAERP CCOc1ccc([C@@H]([NH3+])CN(C)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000071188771 176063594 /nfs/dbraw/zinc/06/35/94/176063594.db2.gz HGDGHRDRLOGURD-PBHICJAKSA-N 2 0 291.439 1.969 10 0 CDAERP COc1ccc(C)cc1[C@@H]([NH3+])CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188711 176063959 /nfs/dbraw/zinc/06/39/59/176063959.db2.gz GYTGIWYRDCNVQD-ZBFHGGJFSA-N 2 0 291.439 1.887 10 0 CDAERP CN(C[C@H]1CC[N@H+](C)C1)C[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000071190804 176067801 /nfs/dbraw/zinc/06/78/01/176067801.db2.gz QXSJYCQMANHGEM-YOEHRIQHSA-N 2 0 273.424 1.584 10 0 CDAERP Cc1ccc([C@@H](C[NH3+])N2CC[NH+](CC(C)(C)O)CC2)s1 ZINC000071380189 176144563 /nfs/dbraw/zinc/14/45/63/176144563.db2.gz OCAIQVBHWPFVED-CYBMUJFWSA-N 2 0 297.468 1.445 10 0 CDAERP CC(C)(O)C[NH+]1CCN([C@@H]2CCCCC[C@H]2C[NH3+])CC1 ZINC000071380520 176144944 /nfs/dbraw/zinc/14/49/44/176144944.db2.gz FDUFBQKCXKIOEJ-LSDHHAIUSA-N 2 0 283.460 1.283 10 0 CDAERP CC[NH2+][C@@H]1CCCC[C@@H]1CN1CC[NH+](CC(C)(C)O)CC1 ZINC000071381805 176145877 /nfs/dbraw/zinc/14/58/77/176145877.db2.gz PQLWDSGYHQTUCW-HZPDHXFCSA-N 2 0 297.487 1.543 10 0 CDAERP Cc1ccc(C)c(CN(CC[NH+](C)C)C(=O)C[NH3+])c1 ZINC000076678747 177056986 /nfs/dbraw/zinc/05/69/86/177056986.db2.gz OEWCRMNHFUHXQV-UHFFFAOYSA-N 2 0 263.385 1.152 10 0 CDAERP C[C@@H](CC[NH3+])CCC(=O)NCCC[NH+]1CCCCC1 ZINC000079079729 177429773 /nfs/dbraw/zinc/42/97/73/177429773.db2.gz SLYZSHVWHSVJLN-CQSZACIVSA-N 2 0 269.433 1.744 10 0 CDAERP C[C@@H]1CCC[N@H+](CCN[C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000422855891 287354037 /nfs/dbraw/zinc/35/40/37/287354037.db2.gz DEBGTZCQHAWGFJ-KBMXLJTQSA-N 2 0 281.444 1.075 10 0 CDAERP CO[C@H](C[NH+]1CCC(O)(C[NH3+])CC1)C1CCCCC1 ZINC000662283099 423880526 /nfs/dbraw/zinc/88/05/26/423880526.db2.gz KWBAUSJQXUIADN-CQSZACIVSA-N 2 0 270.417 1.367 10 0 CDAERP FC1(F)C[C@@H]1OCC[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000662273627 423831886 /nfs/dbraw/zinc/83/18/86/423831886.db2.gz PVUGKGCTIBMQFK-OLZOCXBDSA-N 2 0 274.355 1.732 10 0 CDAERP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCO[C@@H]2CC2(F)F)CC1 ZINC000662274500 423838770 /nfs/dbraw/zinc/83/87/70/423838770.db2.gz USVPMHHIQBWDHJ-UPJWGTAASA-N 2 0 290.354 1.239 10 0 CDAERP CC1(C)NC(=O)CC[C@H]1[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663464151 423838903 /nfs/dbraw/zinc/83/89/03/423838903.db2.gz CRASODQECDXBJE-HUUCEWRRSA-N 2 0 293.455 1.755 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)NCCC2(C[NH3+])CC2)C[N@@H+]1C1CC1 ZINC000652165900 423988214 /nfs/dbraw/zinc/98/82/14/423988214.db2.gz DFXJOIGYFBXNAA-VXGBXAGGSA-N 2 0 280.416 1.040 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652166775 423988532 /nfs/dbraw/zinc/98/85/32/423988532.db2.gz BUHYQHQMXNPNCN-AWEZNQCLSA-N 2 0 296.459 1.393 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCc1ccc(C[NH3+])cc1F ZINC000652214582 424068748 /nfs/dbraw/zinc/06/87/48/424068748.db2.gz KOZOVLKZULWFMI-QMTHXVAHSA-N 2 0 294.374 1.082 10 0 CDAERP CC(C)C[C@H]([NH3+])c1noc([C@H]2C[C@]23CCC[NH2+]C3)n1 ZINC000653490724 424043825 /nfs/dbraw/zinc/04/38/25/424043825.db2.gz VLCUKRCSSFSOHK-SUNKGSAMSA-N 2 0 264.373 1.973 10 0 CDAERP [NH3+]CC1(CCNC(=O)N2CC[NH+](C3CCCC3)CC2)CC1 ZINC000652244036 424127168 /nfs/dbraw/zinc/12/71/68/424127168.db2.gz RFWHCVFJGAMHIZ-UHFFFAOYSA-N 2 0 294.443 1.385 10 0 CDAERP C[C@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000651966201 424252871 /nfs/dbraw/zinc/25/28/71/424252871.db2.gz WIKIHSYNEGXJLK-UKMLZYKCSA-N 2 0 275.396 1.841 10 0 CDAERP CO[C@H]1C[N@H+](CCCc2cncn2C)CC[C@H]1C ZINC000653634733 424383813 /nfs/dbraw/zinc/38/38/13/424383813.db2.gz GRJHEIMBDKSCPZ-OCCSQVGLSA-N 2 0 251.374 1.710 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000653129559 424331448 /nfs/dbraw/zinc/33/14/48/424331448.db2.gz AZUSITRGYNRHIF-MRXNPFEDSA-N 2 0 273.380 1.013 10 0 CDAERP C[C@@H](CNC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)[NH+](C)C1CC1 ZINC000660856071 424390544 /nfs/dbraw/zinc/39/05/44/424390544.db2.gz XRIPJQDPGYPGKK-GXTWGEPZSA-N 2 0 296.459 1.641 10 0 CDAERP CO[C@H](C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])[C@H]1CCOC1 ZINC000665234608 424466716 /nfs/dbraw/zinc/46/67/16/424466716.db2.gz HCFQJJKDBFIRPF-REWJHTLYSA-N 2 0 256.390 1.288 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000662847100 424523530 /nfs/dbraw/zinc/52/35/30/424523530.db2.gz ZGYPFXIMCNZNLM-RDBSUJKOSA-N 2 0 281.444 1.598 10 0 CDAERP C[NH+](C)CCN1CC[N@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1=O ZINC000660913463 424538829 /nfs/dbraw/zinc/53/88/29/424538829.db2.gz UCRDMIVVOFWHJN-QLFBSQMISA-N 2 0 279.428 1.128 10 0 CDAERP C[NH+](C)C1(CNC(=O)C2CCC([NH3+])CC2)CCCC1 ZINC000110374553 424618762 /nfs/dbraw/zinc/61/87/62/424618762.db2.gz ZJDDRTUJGLHLED-UHFFFAOYSA-N 2 0 267.417 1.495 10 0 CDAERP COCCC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001667457419 1173270987 /nfs/dbraw/zinc/27/09/87/1173270987.db2.gz BNZNEYCPNSAQIF-RBSFLKMASA-N 2 0 299.459 1.094 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000257737506 270308065 /nfs/dbraw/zinc/30/80/65/270308065.db2.gz WGMWXALALSXWFS-BFHYXJOUSA-N 2 0 267.417 1.495 10 0 CDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]([NH3+])C1CCC1 ZINC000399155922 270368350 /nfs/dbraw/zinc/36/83/50/270368350.db2.gz CXOMKACCCUGBLY-CJNGLKHVSA-N 2 0 289.423 1.751 10 0 CDAERP Cl/C=C\C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530238712 271176668 /nfs/dbraw/zinc/17/66/68/271176668.db2.gz AYNPLLAKTDFNNS-RBVVKQATSA-N 2 0 258.793 1.829 10 0 CDAERP c1cc2c(cc1N[C@@H]1CCC[NH2+]CC1)OCC[NH2+]C2 ZINC000530247069 271181453 /nfs/dbraw/zinc/18/14/53/271181453.db2.gz OEWAXAIPSQJROR-CYBMUJFWSA-N 2 0 261.369 1.723 10 0 CDAERP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1Cc2ccccc2[C@@H]1O ZINC000178357107 274339855 /nfs/dbraw/zinc/33/98/55/274339855.db2.gz VTEYLTODTGZZGR-VLMXHWEHSA-N 2 0 274.408 1.963 10 0 CDAERP C(CN1CC[NH2+]CC1)[NH2+][C@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000423210140 275392339 /nfs/dbraw/zinc/39/23/39/275392339.db2.gz VXXGFSUIQADFGO-PMPSAXMXSA-N 2 0 281.444 1.077 10 0 CDAERP CC[NH+](CC)CC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000180150783 276095013 /nfs/dbraw/zinc/09/50/13/276095013.db2.gz APMSMNOCHGCNIX-DOTOQJQBSA-N 2 0 289.423 1.890 10 0 CDAERP CCN1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CC1=O ZINC000453355494 276253443 /nfs/dbraw/zinc/25/34/43/276253443.db2.gz LOIJBYFWMHKLFU-AAVRWANBSA-N 2 0 265.401 1.070 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262635583 276363357 /nfs/dbraw/zinc/36/33/57/276363357.db2.gz HOFQKQXIWQARMA-FPCVCCKLSA-N 2 0 293.455 1.898 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H]2O)[C@@H]2CCC[C@H]21 ZINC000453396571 277171585 /nfs/dbraw/zinc/17/15/85/277171585.db2.gz YLUIIZJTPASSPU-BTFPBAQTSA-N 2 0 252.402 1.610 10 0 CDAERP COC[C@@H](O)C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000374706062 277249886 /nfs/dbraw/zinc/24/98/86/277249886.db2.gz SXSNIOSICHQYCU-KBMXLJTQSA-N 2 0 284.444 1.626 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1cnc(C)o1)[NH+](C)C ZINC001668279059 1173391889 /nfs/dbraw/zinc/39/18/89/1173391889.db2.gz OFYHWRKRVBPWRX-RISCZKNCSA-N 2 0 296.415 1.308 10 0 CDAERP Cc1nocc1C[NH2+]CC[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001668309524 1173394331 /nfs/dbraw/zinc/39/43/31/1173394331.db2.gz JKSASDRVMQFGPS-LBPRGKRZSA-N 2 0 294.399 1.063 10 0 CDAERP C(CN1CC[NH2+]CC1)[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000414862793 277716953 /nfs/dbraw/zinc/71/69/53/277716953.db2.gz HYTABYWILVBOJU-GJZGRUSLSA-N 2 0 251.418 1.450 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)NCC1([NH3+])CCCCC1 ZINC000334950397 278222704 /nfs/dbraw/zinc/22/27/04/278222704.db2.gz KNXUTMDGLGCEBO-LBPRGKRZSA-N 2 0 267.417 1.542 10 0 CDAERP C[C@@H]1CN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C[C@@]1(C)C[NH3+] ZINC000417833912 278673032 /nfs/dbraw/zinc/67/30/32/278673032.db2.gz JPXZHUNWKSQUPJ-ISTRZQFTSA-N 2 0 287.407 1.144 10 0 CDAERP C[C@@H]1C[N@H+](C)C[C@@H]1NC1CC([NH+]2CCCCC2)C1 ZINC000334614881 288089746 /nfs/dbraw/zinc/08/97/46/288089746.db2.gz WKQNTDGUEYYZTK-URGYJCLVSA-N 2 0 251.418 1.543 10 0 CDAERP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@H](O)C(C)C)C1 ZINC000432825248 279110690 /nfs/dbraw/zinc/11/06/90/279110690.db2.gz WAIQBHXKQQAEBC-GJZGRUSLSA-N 2 0 272.433 1.436 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000249931939 279151024 /nfs/dbraw/zinc/15/10/24/279151024.db2.gz DYDBTXDKXVNPOA-FPCVCCKLSA-N 2 0 293.455 1.850 10 0 CDAERP CC(C)C[C@H](CNC(=O)[C@H]1CC[C@@H]([NH3+])C1)[NH+](C)C ZINC000227808207 279161365 /nfs/dbraw/zinc/16/13/65/279161365.db2.gz QDBNIKKXTPEJLK-YNEHKIRRSA-N 2 0 255.406 1.206 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCC(OCC[NH+](C)C)CC1 ZINC000414706479 279178913 /nfs/dbraw/zinc/17/89/13/279178913.db2.gz XWQDREJTYRRAPW-AWEZNQCLSA-N 2 0 271.449 1.402 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415122068 279179052 /nfs/dbraw/zinc/17/90/52/279179052.db2.gz JKUFOTMCVUJGFG-HRCADAONSA-N 2 0 283.460 1.578 10 0 CDAERP CC(C)C[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)C(=O)NCC[NH+](C)C ZINC000347227884 279194241 /nfs/dbraw/zinc/19/42/41/279194241.db2.gz MZKUYXYRZYULNL-KKUMJFAQSA-N 2 0 299.459 1.094 10 0 CDAERP CC(C)C[C@](C)(C[NH3+])NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000262655556 279236484 /nfs/dbraw/zinc/23/64/84/279236484.db2.gz ZTXBCAJGBCBJIQ-SGMGOOAPSA-N 2 0 255.406 1.384 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000174000223 279311426 /nfs/dbraw/zinc/31/14/26/279311426.db2.gz SPYSJQRHAVFOOS-LSDHHAIUSA-N 2 0 298.475 1.746 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000418201381 279377840 /nfs/dbraw/zinc/37/78/40/279377840.db2.gz RNXXJIBYIDEURJ-MJBXVCDLSA-N 2 0 282.432 1.109 10 0 CDAERP CCO[C@H]1C[C@@H]([NH2+]CCC[NH+](C)C)C12CCOCC2 ZINC000186200326 279928771 /nfs/dbraw/zinc/92/87/71/279928771.db2.gz JBJUWPXJZBFSHC-KGLIPLIRSA-N 2 0 270.417 1.502 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](CC(C)C)C[NH+](C)C)C1 ZINC000194152563 280025521 /nfs/dbraw/zinc/02/55/21/280025521.db2.gz LOLSEQXHLXIWBO-GJZGRUSLSA-N 2 0 298.475 1.746 10 0 CDAERP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000178747782 280123282 /nfs/dbraw/zinc/12/32/82/280123282.db2.gz WYHOCIDVUYMHQF-YPMHNXCESA-N 2 0 253.390 1.057 10 0 CDAERP COC[C@@H](C)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000247223858 280323780 /nfs/dbraw/zinc/32/37/80/280323780.db2.gz CXWGZUBUVMDSHC-CHWSQXEVSA-N 2 0 258.406 1.046 10 0 CDAERP CC[C@H]1CN(CC[NH+]2CCCCC2)CC[N@@H+]1C[C@@H](C)O ZINC000132283715 288288592 /nfs/dbraw/zinc/28/85/92/288288592.db2.gz PQTYZPWZVLKGMO-CVEARBPZSA-N 2 0 283.460 1.249 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccnc(C)c2)CC1 ZINC000527641655 281166294 /nfs/dbraw/zinc/16/62/94/281166294.db2.gz WUUMJPFBLJQRQY-OAHLLOKOSA-N 2 0 276.428 1.506 10 0 CDAERP CCN(CC[NH2+]CC(C)C)C(=O)CC1CC[NH+](C)CC1 ZINC001668573629 1173427775 /nfs/dbraw/zinc/42/77/75/1173427775.db2.gz AXHVJFXATFALMN-UHFFFAOYSA-N 2 0 283.460 1.812 10 0 CDAERP CC[NH2+]CCN(CC)C(=O)CCC[NH+]1CCCC1 ZINC001668652895 1173435960 /nfs/dbraw/zinc/43/59/60/1173435960.db2.gz WOKJMFNULFULAX-UHFFFAOYSA-N 2 0 255.406 1.320 10 0 CDAERP C[NH+](C)C1CCN(C(=O)C2([NH3+])Cc3ccccc3C2)CC1 ZINC000119613061 289066338 /nfs/dbraw/zinc/06/63/38/289066338.db2.gz BCHUAONZQZOSCJ-UHFFFAOYSA-N 2 0 287.407 1.035 10 0 CDAERP C[NH+](C)[C@@H]1CCCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000431781882 289291198 /nfs/dbraw/zinc/29/11/98/289291198.db2.gz DRKXVVCXYCYABI-LSDHHAIUSA-N 2 0 281.444 1.804 10 0 CDAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000367520801 289483857 /nfs/dbraw/zinc/48/38/57/289483857.db2.gz ZEKCIBDNJQMCNL-UKRRQHHQSA-N 2 0 291.443 1.403 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCC[C@H](C)C2)C1 ZINC000553369959 290115839 /nfs/dbraw/zinc/11/58/39/290115839.db2.gz IAVPHYYTWCLGSL-GJZGRUSLSA-N 2 0 295.471 1.955 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C2CCC([NH3+])CC2)[C@@H]2CCC[C@@H]21 ZINC000423234063 290214686 /nfs/dbraw/zinc/21/46/86/290214686.db2.gz PADYSKZOJCVLDL-HGSUQPQSSA-N 3 0 251.418 1.719 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(CCCO)C2)[C@H]2CCC[C@H]21 ZINC000453286044 290223523 /nfs/dbraw/zinc/22/35/23/290223523.db2.gz ILQKRDWDFIXISN-WCXIOVBPSA-N 2 0 295.471 1.296 10 0 CDAERP COCc1cc(C[NH2+][C@H](CCC[NH3+])COC)ccc1F ZINC000422765839 293299176 /nfs/dbraw/zinc/29/91/76/293299176.db2.gz PKKPFESOEXNVBF-CQSZACIVSA-N 2 0 284.375 1.816 10 0 CDAERP CC(C)[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000563205444 293310183 /nfs/dbraw/zinc/31/01/83/293310183.db2.gz GBEOSARIVITFEH-PMPSAXMXSA-N 2 0 293.455 1.850 10 0 CDAERP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000565001085 293486065 /nfs/dbraw/zinc/48/60/65/293486065.db2.gz LDQLYXYRBIHNEF-ZMSDIMECSA-N 2 0 285.391 1.071 10 0 CDAERP CO[C@H](C)C[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001668819957 1173469324 /nfs/dbraw/zinc/46/93/24/1173469324.db2.gz ABUXOFWLRXWUQV-JBZXTQMFSA-N 2 0 297.443 1.156 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000570514036 294253130 /nfs/dbraw/zinc/25/31/30/294253130.db2.gz CCFMXLDNJGQZPU-MNOVXSKESA-N 2 0 295.349 1.647 10 0 CDAERP O=C1C[C@@H]([C@H]2CCCC[N@@H+]2CCC2CC[NH2+]CC2)CN1 ZINC000570802275 294311045 /nfs/dbraw/zinc/31/10/45/294311045.db2.gz CWFMZAHFEXWNEI-HUUCEWRRSA-N 2 0 279.428 1.367 10 0 CDAERP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@H]1C[NH2+]CCC1(F)F ZINC000571402249 294428531 /nfs/dbraw/zinc/42/85/31/294428531.db2.gz IEJKDGIHJZLUOV-YATPEIPISA-N 2 0 287.354 1.021 10 0 CDAERP O=C(C[C@H]1CC[NH2+]C1)N1CCC([NH+]2CCCC2)CC1 ZINC000089745832 295546532 /nfs/dbraw/zinc/54/65/32/295546532.db2.gz PSSMGFKGTVCWJJ-CYBMUJFWSA-N 2 0 265.401 1.073 10 0 CDAERP C[C@@H]1C[C@@H](C[N@H+](C)CCCN(C)CC[NH+](C)C)CCO1 ZINC000344036421 297248484 /nfs/dbraw/zinc/24/84/84/297248484.db2.gz SULAVDCRYKWEEJ-CVEARBPZSA-N 2 0 285.476 1.617 10 0 CDAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]C/C=C/Cl ZINC001669289190 1173531638 /nfs/dbraw/zinc/53/16/38/1173531638.db2.gz SLMYCJKMMTVSKC-JOVKLMRISA-N 2 0 287.835 1.706 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001669328987 1173538095 /nfs/dbraw/zinc/53/80/95/1173538095.db2.gz WHTBPUWVRMISGA-OLZOCXBDSA-N 2 0 255.406 1.221 10 0 CDAERP O=C(N[C@H]1CCCC[NH2+]C1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000333735556 303949680 /nfs/dbraw/zinc/94/96/80/303949680.db2.gz WWAYGGOVTHPFMN-LSDHHAIUSA-N 2 0 294.443 1.302 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000563809803 316374507 /nfs/dbraw/zinc/37/45/07/316374507.db2.gz AGOZGZVHEVIACS-KBPBESRZSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)c1noc(CCC[NH2+][C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000580096003 324371898 /nfs/dbraw/zinc/37/18/98/324371898.db2.gz OYYMTOPZAAPVKL-RYUDHWBXSA-N 2 0 266.389 1.985 10 0 CDAERP C[C@@H]1CN(C(=O)NCC2([NH3+])CCCCCC2)[C@H](C)C[NH2+]1 ZINC000583014186 325088830 /nfs/dbraw/zinc/08/88/30/325088830.db2.gz JIWXUTVQIARMTB-CHWSQXEVSA-N 2 0 282.432 1.430 10 0 CDAERP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCC1([NH3+])CCCCCC1 ZINC000584230516 327070314 /nfs/dbraw/zinc/07/03/14/327070314.db2.gz JSEISXXFJVIUKR-VXGBXAGGSA-N 2 0 270.421 1.463 10 0 CDAERP CC(C)=CC[NH+](C)[C@@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001725180960 1159184766 /nfs/dbraw/zinc/18/47/66/1159184766.db2.gz MXLDOHFMPQBFNI-GJZGRUSLSA-N 2 0 281.444 1.731 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001691478374 1159356149 /nfs/dbraw/zinc/35/61/49/1159356149.db2.gz BKUOJOYNSMOVBZ-SOUVJXGZSA-N 2 0 281.444 1.613 10 0 CDAERP CC1CC(C[NH2+]CCN(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001267391060 1159369068 /nfs/dbraw/zinc/36/90/68/1159369068.db2.gz AALKZPMBYLWRDD-NRXISQOPSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001481064312 1159510875 /nfs/dbraw/zinc/51/08/75/1159510875.db2.gz HPGINMHNEQOPRT-UONOGXRCSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000373368697 1160147819 /nfs/dbraw/zinc/14/78/19/1160147819.db2.gz JRAPEEJRQQBWIJ-JYJNAYRXSA-N 2 0 293.455 1.661 10 0 CDAERP C[C@@H](O)CCC[NH2+]C[C@@H](C)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001270985153 1160234570 /nfs/dbraw/zinc/23/45/70/1160234570.db2.gz FSKRSUFACABQBA-ZIAGYGMSSA-N 2 0 299.459 1.068 10 0 CDAERP CC(C)[C@H](CNC(=O)CC[NH+](C)C)[NH2+]C[C@H]1CCCCO1 ZINC001482554130 1160387603 /nfs/dbraw/zinc/38/76/03/1160387603.db2.gz JFJRBGBDDTVMGH-CABCVRRESA-N 2 0 299.459 1.238 10 0 CDAERP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1nccn1C ZINC000396471579 482477419 /nfs/dbraw/zinc/47/74/19/482477419.db2.gz XUOGLHSMMKIVOT-RYUDHWBXSA-N 2 0 250.390 1.801 10 0 CDAERP C[C@H](CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@@H]1CCCO1 ZINC000668302762 482363083 /nfs/dbraw/zinc/36/30/83/482363083.db2.gz PATCIGMBVFPSOF-CABCVRRESA-N 2 0 299.459 1.143 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000652291749 482459072 /nfs/dbraw/zinc/45/90/72/482459072.db2.gz GKDJXFSSMLVTBM-QWHCGFSZSA-N 2 0 290.411 1.298 10 0 CDAERP CC(C)[C@H]1CN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)CC[NH2+]1 ZINC000669514818 482536566 /nfs/dbraw/zinc/53/65/66/482536566.db2.gz LKTZDCCWSIUDRI-OLZOCXBDSA-N 2 0 267.417 1.221 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000654381762 482564460 /nfs/dbraw/zinc/56/44/60/482564460.db2.gz PIBSQYUSIRWPDS-BYNSBNAKSA-N 2 0 294.443 1.253 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC/C=C\C[NH3+])C1 ZINC000669539386 482621864 /nfs/dbraw/zinc/62/18/64/482621864.db2.gz HIMQPZZEFMZZPL-NQHOJNORSA-N 2 0 282.432 1.169 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)N2CCC[C@@H](C[NH3+])C2)CC1 ZINC000669540670 482624557 /nfs/dbraw/zinc/62/45/57/482624557.db2.gz AHNHVKPSDLSXNL-SLTAFYQDSA-N 2 0 296.459 1.487 10 0 CDAERP CC(C)[C@H](C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000228189694 482782539 /nfs/dbraw/zinc/78/25/39/482782539.db2.gz SRDQLGNKFBJNCL-KKUMJFAQSA-N 2 0 281.444 1.611 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccn(C)c(=O)c2)[C@@H](C)C1 ZINC000673714072 482823766 /nfs/dbraw/zinc/82/37/66/482823766.db2.gz BLHLQXHILKGCCR-DZGCQCFKSA-N 2 0 277.412 1.547 10 0 CDAERP [NH3+]C[C@@H](C(=O)N1CC[C@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000336466468 482918425 /nfs/dbraw/zinc/91/84/25/482918425.db2.gz GYVPEGVGAQUZEX-NVXWUHKLSA-N 2 0 287.407 1.331 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000136493572 482920109 /nfs/dbraw/zinc/92/01/09/482920109.db2.gz SCMHFLCVZHXTHV-MCIONIFRSA-N 2 0 267.417 1.303 10 0 CDAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC23CCOCC3)CC1 ZINC000669693786 482952334 /nfs/dbraw/zinc/95/23/34/482952334.db2.gz GNHJJLCOFIFPKW-UHFFFAOYSA-N 2 0 295.471 1.657 10 0 CDAERP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1-n1cncn1 ZINC000666879586 482959974 /nfs/dbraw/zinc/95/99/74/482959974.db2.gz CECJCUAZCKXDPD-JSGCOSHPSA-N 2 0 271.368 1.355 10 0 CDAERP Cc1ccc([C@H](CNC(=O)NC/C=C\C[NH3+])[NH+](C)C)cc1 ZINC000669418907 483021716 /nfs/dbraw/zinc/02/17/16/483021716.db2.gz BSSWPDAMKRNASH-XVWMLYKFSA-N 2 0 290.411 1.412 10 0 CDAERP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cn3cccc(F)c3n2)C1 ZINC000666963138 483023197 /nfs/dbraw/zinc/02/31/97/483023197.db2.gz XBPNSFJFFYRODD-GHMZBOCLSA-N 2 0 262.332 1.690 10 0 CDAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000674616811 483067925 /nfs/dbraw/zinc/06/79/25/483067925.db2.gz CPBHRGPSRHRRQF-KFWWJZLASA-N 2 0 294.443 1.349 10 0 CDAERP C[NH+](C)CCN(C(=O)[C@H]1CCC[C@@H]1C[NH3+])C1CCCC1 ZINC000089457840 483081017 /nfs/dbraw/zinc/08/10/17/483081017.db2.gz INDBJAJGZCFIKR-HIFRSBDPSA-N 2 0 281.444 1.694 10 0 CDAERP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)N[C@H]1CCC[NH+](C)C1 ZINC000674721560 483092364 /nfs/dbraw/zinc/09/23/64/483092364.db2.gz DGHLHJCLBWLMNL-HZSPNIEDSA-N 2 0 282.432 1.062 10 0 CDAERP O=C(C[C@@H]1CCC[NH2+]C1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157734256 483259362 /nfs/dbraw/zinc/25/93/62/483259362.db2.gz WVPXWODNWMFSPF-BFHYXJOUSA-N 2 0 265.401 1.119 10 0 CDAERP Cc1nc(N[C@@H]2C[N@H+](C)Cc3ccccc32)nc(N(C)C)n1 ZINC000534530840 483272193 /nfs/dbraw/zinc/27/21/93/483272193.db2.gz QWWSWMYPCUYMBM-CQSZACIVSA-N 2 0 298.394 1.267 10 0 CDAERP C[NH+](C)CCOC1CC[NH+](Cc2cnn3c2CCC3)CC1 ZINC000667617042 483352809 /nfs/dbraw/zinc/35/28/09/483352809.db2.gz FXMNSVBOIVAKQJ-UHFFFAOYSA-N 2 0 292.427 1.372 10 0 CDAERP CC(C)C[C@@H](CNC(=O)[C@]1(C)CCCC[NH2+]1)[NH+](C)C ZINC000136197902 483381256 /nfs/dbraw/zinc/38/12/56/483381256.db2.gz AZIMAIZMGMBJSL-ZFWWWQNUSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000136367785 483397875 /nfs/dbraw/zinc/39/78/75/483397875.db2.gz AXUXOULFBYMCNF-OAHLLOKOSA-N 2 0 293.411 1.939 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000136405878 483402367 /nfs/dbraw/zinc/40/23/67/483402367.db2.gz BVBVWDWPHMAQRM-UONOGXRCSA-N 2 0 267.417 1.447 10 0 CDAERP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2cn[nH]c2)C1 ZINC000679751894 483434443 /nfs/dbraw/zinc/43/44/43/483434443.db2.gz YNCVSMCXTMRLHP-MRXNPFEDSA-N 2 0 286.379 1.266 10 0 CDAERP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CO[C@@H](C3CC3)C2)C1 ZINC000667820081 483448765 /nfs/dbraw/zinc/44/87/65/483448765.db2.gz NQWYYAHTYXVCAJ-BPLDGKMQSA-N 2 0 252.402 1.875 10 0 CDAERP CC[C@H](C)[C@@H]([NH3+])C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322927515 483554126 /nfs/dbraw/zinc/55/41/26/483554126.db2.gz NLWCIVSBWCDJCY-OFIBSPLFSA-N 2 0 253.390 1.101 10 0 CDAERP OC[C@]1(F)CCN(Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668112746 483567568 /nfs/dbraw/zinc/56/75/68/483567568.db2.gz WAQUJTHRVIIMHK-AWEZNQCLSA-N 2 0 276.315 1.174 10 0 CDAERP CC/C=C\CC[NH2+]CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001691556583 1160700069 /nfs/dbraw/zinc/70/00/69/1160700069.db2.gz VSDLQXGDLMVTAW-YVACAVLKSA-N 2 0 281.444 1.733 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@H](C[NH+]2CCSCC2)O1 ZINC000052443280 519927303 /nfs/dbraw/zinc/92/73/03/519927303.db2.gz LBWBPMMWFWFRET-QWHCGFSZSA-N 2 0 258.431 1.582 10 0 CDAERP CCC[NH2+][C@@H](CN1CCC[C@@H]1C[NH+](C)C)C1CC1 ZINC000069075062 520009519 /nfs/dbraw/zinc/00/95/19/520009519.db2.gz PTWAHLBQDVGCLG-CABCVRRESA-N 2 0 253.434 1.791 10 0 CDAERP CC[NH2+]Cc1cn(CC[N@@H+]2CCC[C@@H](CC)C2)nn1 ZINC000052479771 520011948 /nfs/dbraw/zinc/01/19/48/520011948.db2.gz GVLANUAHSNREME-CYBMUJFWSA-N 2 0 265.405 1.510 10 0 CDAERP CCC(CC)[C@@H](CNC(=O)C1([NH3+])CC1)[NH+]1CCCC1 ZINC000164387269 521603246 /nfs/dbraw/zinc/60/32/46/521603246.db2.gz HQCVDAKMHJXKSP-CYBMUJFWSA-N 2 0 267.417 1.495 10 0 CDAERP CCCN(CC[NH+](C)C)Cc1[nH+]c(NN)ccc1Cl ZINC000061638363 521657516 /nfs/dbraw/zinc/65/75/16/521657516.db2.gz DRHMUWXAMPHDQM-UHFFFAOYSA-N 2 0 285.823 1.794 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=[NH2+])NC1CCCCC1 ZINC000061652344 521829516 /nfs/dbraw/zinc/82/95/16/521829516.db2.gz YRIFXQNMZBIANY-ZDUSSCGKSA-N 2 0 252.406 1.869 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(CC[C@@H]2CCCC[NH2+]2)CC1 ZINC000055066809 522122275 /nfs/dbraw/zinc/12/22/75/522122275.db2.gz XREVBAACGVPCJI-CABCVRRESA-N 2 0 253.434 1.935 10 0 CDAERP C[NH2+]Cc1ccoc1C[N@H+](C)C[C@H]1CCCCO1 ZINC000052507258 522139471 /nfs/dbraw/zinc/13/94/71/522139471.db2.gz GNAAITCAGBMOMJ-CYBMUJFWSA-N 2 0 252.358 2.000 10 0 CDAERP C[NH2+]Cc1occc1CN1CCC([NH+](C)C)CC1 ZINC000052477655 522165284 /nfs/dbraw/zinc/16/52/84/522165284.db2.gz QQOJZUIWTGSRCG-UHFFFAOYSA-N 2 0 251.374 1.525 10 0 CDAERP C[C@H](CCC[NH2+]CCCF)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001734229187 1183698836 /nfs/dbraw/zinc/69/88/36/1183698836.db2.gz JZHFTYAYUPSFOO-OLZOCXBDSA-N 2 0 273.396 1.315 10 0 CDAERP COC(=O)C1(C[NH+]2CCC(CCC[NH+](C)C)CC2)CC1 ZINC000340287027 517983724 /nfs/dbraw/zinc/98/37/24/517983724.db2.gz FQPQMQJTZHSAPS-UHFFFAOYSA-N 2 0 282.428 1.993 10 0 CDAERP CC(C)[NH+]1CCN(C(=O)C[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000055129258 519679576 /nfs/dbraw/zinc/67/95/76/519679576.db2.gz IBJSNJRPFPBZEF-UONOGXRCSA-N 2 0 267.417 1.447 10 0 CDAERP CC(C)[NH+]1CCN(C(=O)[C@@H]2[C@@H](C)CCC[C@@H]2[NH3+])CC1 ZINC000055129247 519680657 /nfs/dbraw/zinc/68/06/57/519680657.db2.gz VPNBKQRRNSTQAV-MELADBBJSA-N 2 0 267.417 1.303 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)C[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000055132147 519723582 /nfs/dbraw/zinc/72/35/82/519723582.db2.gz IVLLIEWEEDXXKA-CABCVRRESA-N 2 0 281.444 1.694 10 0 CDAERP CC(C)C[NH+]1CCN([C@H](C[NH3+])Cc2ccccc2)CC1 ZINC000055078277 519727835 /nfs/dbraw/zinc/72/78/35/519727835.db2.gz SRDNENQHPGEBAV-KRWDZBQOSA-N 2 0 275.440 1.830 10 0 CDAERP CC(C)[NH2+]Cc1coc(CN2CCC[N@H+](C)CC2)c1 ZINC000052424288 519728511 /nfs/dbraw/zinc/72/85/11/519728511.db2.gz IUCAGDFPWRCQIG-UHFFFAOYSA-N 2 0 265.401 1.915 10 0 CDAERP CC(C)C[NH+]1CCN(c2cc(C(N)=[NH2+])ccn2)CC1 ZINC000055079646 519728543 /nfs/dbraw/zinc/72/85/43/519728543.db2.gz HESIHKVKLWPCNZ-UHFFFAOYSA-N 2 0 261.373 1.144 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000049220771 519793165 /nfs/dbraw/zinc/79/31/65/519793165.db2.gz PAMDNOJPOJGEOA-LSDHHAIUSA-N 2 0 277.412 1.779 10 0 CDAERP CC(C)[C@H](CN(C)C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000049197559 519814884 /nfs/dbraw/zinc/81/48/84/519814884.db2.gz WATJRQNLENDMTI-ZFWWWQNUSA-N 2 0 255.450 1.893 10 0 CDAERP CCC[NH+]1CCN(Cc2cccc(C[NH2+]C)c2)CC1 ZINC000052421820 519859004 /nfs/dbraw/zinc/85/90/04/519859004.db2.gz ROXPECWIUYVAAY-UHFFFAOYSA-N 2 0 261.413 1.934 10 0 CDAERP CCOCCC[NH2+]C[C@@H](C)N1CC[C@H]([NH+](C)C)C1 ZINC000062974027 519896769 /nfs/dbraw/zinc/89/67/69/519896769.db2.gz GBYIWAQOJMFSHU-KGLIPLIRSA-N 2 0 257.422 1.027 10 0 CDAERP CCOCCC[NH2+]CCN1CC[NH+]([C@@H](C)CC)CC1 ZINC000055075045 519896997 /nfs/dbraw/zinc/89/69/97/519896997.db2.gz IGGPQQVFOFAVDY-HNNXBMFYSA-N 2 0 271.449 1.419 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000061292678 519904714 /nfs/dbraw/zinc/90/47/14/519904714.db2.gz YWBGSUZLFTXODK-UHFFFAOYSA-N 2 0 253.390 1.118 10 0 CDAERP CC[NH2+]CCC(=O)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000061295237 519915517 /nfs/dbraw/zinc/91/55/17/519915517.db2.gz RQKKDRJHJOSUMS-UHFFFAOYSA-N 2 0 295.452 1.782 10 0 CDAERP CC[NH2+]CCC(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000061293543 519918284 /nfs/dbraw/zinc/91/82/84/519918284.db2.gz GIFCXMTYKSLVRK-UHFFFAOYSA-N 2 0 279.384 1.565 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@H](CN2CC[NH+](C(C)(C)C)CC2)O1 ZINC000052571693 519927828 /nfs/dbraw/zinc/92/78/28/519927828.db2.gz VSZDDLBUQKSOBN-JKSUJKDBSA-N 2 0 297.487 1.950 10 0 CDAERP CC[NH2+]Cc1cccc(CN2CCC[N@H+](C)CC2)c1 ZINC000052424157 520003913 /nfs/dbraw/zinc/00/39/13/520003913.db2.gz KUPFICYTNITDAB-UHFFFAOYSA-N 2 0 261.413 1.934 10 0 CDAERP CCC[NH2+][C@H](C)C1CC[NH+](C[C@@H](O)COCC)CC1 ZINC000069274308 520061348 /nfs/dbraw/zinc/06/13/48/520061348.db2.gz QMEYAXTZTIXICF-UKRRQHHQSA-N 2 0 272.433 1.484 10 0 CDAERP CCC[NH2+][C@H]1CCC[C@H]1CN1CC[NH+](CC)CC1 ZINC000053860762 520094477 /nfs/dbraw/zinc/09/44/77/520094477.db2.gz QJHIMDHFGXCKOQ-GJZGRUSLSA-N 2 0 253.434 1.792 10 0 CDAERP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N1CCN(CC[NH+](C)C)CC1 ZINC000061644014 520122466 /nfs/dbraw/zinc/12/24/66/520122466.db2.gz TUIWYNUUKADSGK-BBWFWOEESA-N 2 0 296.503 1.332 10 0 CDAERP CC[NH+](CC)C[C@@H](O)CN[C@@H](CC(C)C)C[NH+](C)C ZINC000049555620 520721469 /nfs/dbraw/zinc/72/14/69/520721469.db2.gz DIUDDXHLSLPARW-GJZGRUSLSA-N 2 0 273.465 1.255 10 0 CDAERP CC1CCC([NH2+]CCN2CC[C@H]([NH+](C)C)C2)CC1 ZINC000062974103 520953463 /nfs/dbraw/zinc/95/34/63/520953463.db2.gz KKQRNLURUORLAX-NRXISQOPSA-N 2 0 253.434 1.791 10 0 CDAERP CCC(C)(C)NC(=O)CN1CCC[N@H+](CCCC[NH3+])CC1 ZINC000049281654 521313283 /nfs/dbraw/zinc/31/32/83/521313283.db2.gz MKFJCXHFJQASED-UHFFFAOYSA-N 2 0 298.475 1.038 10 0 CDAERP CCC(CC)C[N@H+](CC)CCn1cc(C[NH2+]C)nn1 ZINC000052540677 521520839 /nfs/dbraw/zinc/52/08/39/521520839.db2.gz FJIRKNXXIBAMIA-UHFFFAOYSA-N 2 0 267.421 1.756 10 0 CDAERP CCC(CC)[C@@H](CNC(=O)[C@@H](C)[NH3+])[NH+]1CCCC1 ZINC000164390849 521604654 /nfs/dbraw/zinc/60/46/54/521604654.db2.gz CKQNNZCDIZGXHC-DGCLKSJQSA-N 2 0 255.406 1.350 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@H]1CCC[C@@H](CC[NH3+])C1 ZINC000055162774 521655883 /nfs/dbraw/zinc/65/58/83/521655883.db2.gz ONFFPNIYPZRMIV-GJZGRUSLSA-N 2 0 283.460 1.942 10 0 CDAERP CC[NH+]1CCN(c2cc(Cl)ccc2C[NH3+])CC1 ZINC000062786737 521696828 /nfs/dbraw/zinc/69/68/28/521696828.db2.gz WCCALDJFHMAINC-UHFFFAOYSA-N 2 0 253.777 1.941 10 0 CDAERP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000246252699 521832088 /nfs/dbraw/zinc/83/20/88/521832088.db2.gz KAAKNGGYIMZEQV-NWANDNLSSA-N 2 0 283.460 1.987 10 0 CDAERP C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C[C@@H]1CC[N@H+](C)C1 ZINC000054602141 521954761 /nfs/dbraw/zinc/95/47/61/521954761.db2.gz CLJMIQRCKLVCBG-FFHGMXDLSA-N 2 0 251.418 1.543 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C[C@H]2CCC[C@@H]2[NH2+]C)CC1 ZINC000055072385 522123695 /nfs/dbraw/zinc/12/36/95/522123695.db2.gz FOLJPPUCDRSWKM-KFWWJZLASA-N 2 0 253.434 1.791 10 0 CDAERP C[NH2+]Cc1ccc(S(=O)(=O)N[C@H](C)CC[NH+](C)C)cc1 ZINC000049560706 522125023 /nfs/dbraw/zinc/12/50/23/522125023.db2.gz VFJQRHVDDKOPRP-GFCCVEGCSA-N 2 0 299.440 1.025 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(c2ccnc(C[NH2+]C)c2)CC1 ZINC000055073517 522137705 /nfs/dbraw/zinc/13/77/05/522137705.db2.gz UJZDWCFOXPHAOK-CYBMUJFWSA-N 2 0 262.401 1.722 10 0 CDAERP CCc1nc(N2CCC[C@@H]2C[NH+](C)C)sc1C[NH3+] ZINC000061655581 522385304 /nfs/dbraw/zinc/38/53/04/522385304.db2.gz RCJPKPSXSUBHQB-SNVBAGLBSA-N 2 0 268.430 1.695 10 0 CDAERP C[NH2+][C@@H]1CC[C@H](C(C)C)C[C@H]1C[N@@H+]1CC[C@H](O)C1 ZINC000061711981 522397395 /nfs/dbraw/zinc/39/73/95/522397395.db2.gz KKYJHRFWVSPXNW-ZQDZILKHSA-N 2 0 254.418 1.713 10 0 CDAERP CC[C@@H](C[NH2+]CC(C)C)N1CC[NH+](C2CC2)CC1 ZINC000052371268 522548414 /nfs/dbraw/zinc/54/84/14/522548414.db2.gz GFRVKZXPZZGGNE-AWEZNQCLSA-N 2 0 253.434 1.791 10 0 CDAERP CC[C@@H]([NH3+])[C@H](c1cnn(C)c1)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055063673 522654929 /nfs/dbraw/zinc/65/49/29/522654929.db2.gz JOMNYKUUPYRESQ-IMJJTQAJSA-N 2 0 293.459 1.615 10 0 CDAERP COC1CC[NH+](C[C@@H]2CC[C@H](C[NH2+]C(C)C)O2)CC1 ZINC000052455427 522704582 /nfs/dbraw/zinc/70/45/82/522704582.db2.gz HORMJSMXWUIALJ-CABCVRRESA-N 2 0 270.417 1.643 10 0 CDAERP CN(CC[NH+]1CCCC1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000069267481 522832590 /nfs/dbraw/zinc/83/25/90/522832590.db2.gz KYAKTNJKYLGINQ-MRXNPFEDSA-N 2 0 259.397 1.859 10 0 CDAERP COCCC[N@H+](CCC[C@@H]1CCC[NH2+]1)CCOC ZINC000052764490 523241107 /nfs/dbraw/zinc/24/11/07/523241107.db2.gz NGRTUPIQXQGHPO-AWEZNQCLSA-N 2 0 258.406 1.504 10 0 CDAERP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCCC[NH+](C)C)[C@H]1C ZINC000354206462 523290807 /nfs/dbraw/zinc/29/08/07/523290807.db2.gz CIGSUCLVSVGSTN-IHRRRGAJSA-N 2 0 270.417 1.896 10 0 CDAERP COCCCNC(=O)C[N@H+](CCC[NH3+])C1CCCCCC1 ZINC000049282690 523319342 /nfs/dbraw/zinc/31/93/42/523319342.db2.gz QWIDHXGFYNNMSE-UHFFFAOYSA-N 2 0 299.459 1.513 10 0 CDAERP C[N@@H+](Cc1ccnc(C(N)=[NH2+])c1)CC1CCOCC1 ZINC000068762062 523451031 /nfs/dbraw/zinc/45/10/31/523451031.db2.gz ABCGHGAYFVTHAX-UHFFFAOYSA-N 2 0 262.357 1.224 10 0 CDAERP CC[C@]1(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)CCC[NH2+]C1 ZINC000062859276 523539060 /nfs/dbraw/zinc/53/90/60/523539060.db2.gz NHMKJTVYLKYJHE-ZBFHGGJFSA-N 2 0 283.460 1.859 10 0 CDAERP C[NH+]1CCN([C@H](C[NH2+]C2CC2)c2ccccc2)CC1 ZINC000052379607 523921029 /nfs/dbraw/zinc/92/10/29/523921029.db2.gz RVIZCCBGJKUCEX-MRXNPFEDSA-N 2 0 259.397 1.727 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000055087429 524038320 /nfs/dbraw/zinc/03/83/20/524038320.db2.gz WCWKMQFPVVPTIO-STQMWFEESA-N 2 0 253.390 1.057 10 0 CDAERP C[NH+](C)CC1CC[NH+](Cc2occc2C[NH3+])CC1 ZINC000052515315 524049676 /nfs/dbraw/zinc/04/96/76/524049676.db2.gz KMILCVOIXPXILY-UHFFFAOYSA-N 3 0 251.374 1.512 10 0 CDAERP C[NH+](C)CCCC[NH2+]CC(=O)N1CCc2sccc2C1 ZINC000045697792 524052894 /nfs/dbraw/zinc/05/28/94/524052894.db2.gz USOIKZTZBHKUOL-UHFFFAOYSA-N 2 0 295.452 1.564 10 0 CDAERP Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@@H](C)CC[NH+](C)C ZINC000049557504 524318757 /nfs/dbraw/zinc/31/87/57/524318757.db2.gz SOSVDMNRESPNQY-HOTGVXAUSA-N 2 0 294.439 1.973 10 0 CDAERP C[C@@H](C1CC1)[N@H+](C)CCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000052479168 524320756 /nfs/dbraw/zinc/32/07/56/524320756.db2.gz XDZOPEDAEOARJL-LBPRGKRZSA-N 2 0 279.432 1.897 10 0 CDAERP C[C@H]1CC[C@H](C(=O)NCC[NH+]2CCCCC2)C[C@@H]1[NH3+] ZINC000055138334 524382584 /nfs/dbraw/zinc/38/25/84/524382584.db2.gz LLDBWXYBCJWFJJ-IHRRRGAJSA-N 2 0 267.417 1.352 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000246263856 524440418 /nfs/dbraw/zinc/44/04/18/524440418.db2.gz LGHPZJYOEPYRAG-AAVRWANBSA-N 2 0 267.417 1.350 10 0 CDAERP c1ccc(N2CC[NH+](C[C@@H]3CC34CC[NH2+]CC4)CC2)nc1 ZINC000070257045 526481827 /nfs/dbraw/zinc/48/18/27/526481827.db2.gz FFFFRDKRZQHSTQ-HNNXBMFYSA-N 2 0 286.423 1.593 10 0 CDAERP NC(=[NH2+])c1ccc(C[N@@H+]2CCC[C@@H]2CCCO)cc1 ZINC000052760530 526822072 /nfs/dbraw/zinc/82/20/72/526822072.db2.gz XSNBVQOPQDQVMY-CQSZACIVSA-N 2 0 261.369 1.708 10 0 CDAERP [NH3+]C1(CNC(=O)[C@H]2CC23CC[NH2+]CC3)CCCCCC1 ZINC000237758616 527130942 /nfs/dbraw/zinc/13/09/42/527130942.db2.gz DLMDYRYCGXUCCF-CYBMUJFWSA-N 2 0 279.428 1.544 10 0 CDAERP [NH3+]CCC[N@H+](CCn1cccn1)C1CCCCC1 ZINC000049313878 527178752 /nfs/dbraw/zinc/17/87/52/527178752.db2.gz JLOOHRKMAHDKME-UHFFFAOYSA-N 2 0 250.390 1.867 10 0 CDAERP [NH3+]Cc1cccc(OCCN2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000062973044 527261172 /nfs/dbraw/zinc/26/11/72/527261172.db2.gz OIOWAMRMMHIASN-MRXNPFEDSA-N 2 0 289.423 1.694 10 0 CDAERP CC[NH+]1CCC(CC[NH2+][C@H](C2CC2)[C@@H]2CNCCO2)CC1 ZINC000422792733 535452689 /nfs/dbraw/zinc/45/26/89/535452689.db2.gz WFMOMSMXHQTBAV-DLBZAZTESA-N 2 0 295.471 1.465 10 0 CDAERP CC[NH+]1CCC(NC(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000416858827 535467484 /nfs/dbraw/zinc/46/74/84/535467484.db2.gz TXNHUQOIGIAUCC-HNNXBMFYSA-N 2 0 290.411 1.470 10 0 CDAERP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422535461 536407171 /nfs/dbraw/zinc/40/71/71/536407171.db2.gz CNKIZPQXNMMMQS-GFCCVEGCSA-N 2 0 267.417 1.365 10 0 CDAERP C[NH2+][C@H]1CCCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)C1 ZINC000418404551 536409497 /nfs/dbraw/zinc/40/94/97/536409497.db2.gz ABYQGWGJYXKYPF-UONOGXRCSA-N 2 0 276.384 1.080 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422878433 536594711 /nfs/dbraw/zinc/59/47/11/536594711.db2.gz JDKQZLAFVOTJLE-OWCLPIDISA-N 3 0 285.476 1.698 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCN1CCCC[C@H]1C ZINC000422857100 536594796 /nfs/dbraw/zinc/59/47/96/536594796.db2.gz GWKLYOFCEYKIGQ-ZIAGYGMSSA-N 2 0 257.422 1.204 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000422701779 536596563 /nfs/dbraw/zinc/59/65/63/536596563.db2.gz JHLJXDPTNULYDD-CQSZACIVSA-N 2 0 294.395 1.691 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H](C)Oc1ccccc1 ZINC000422976319 536850967 /nfs/dbraw/zinc/85/09/67/536850967.db2.gz CSFCWJJAEJMUTH-KBPBESRZSA-N 2 0 266.385 1.797 10 0 CDAERP CC(C)[C@@H](C[NH2+][C@@H]1CCCOC1)N1CC[NH+](C)CC1 ZINC000070464876 538389149 /nfs/dbraw/zinc/38/91/49/538389149.db2.gz DCIWIADIORTQBL-HUUCEWRRSA-N 2 0 269.433 1.027 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC000729785068 574822971 /nfs/dbraw/zinc/82/29/71/574822971.db2.gz HMVPZUSSVVUKEI-AWEZNQCLSA-N 2 0 267.417 1.463 10 0 CDAERP C[C@H]([NH2+]CC1(C)OCCCO1)C1CC[NH+](C)CC1 ZINC000754125154 576881552 /nfs/dbraw/zinc/88/15/52/576881552.db2.gz WWDRIVLTEIJQNA-LBPRGKRZSA-N 2 0 256.390 1.459 10 0 CDAERP CCOC(=O)[C@@H]1C[NH2+]CC12CC(C)(C)[NH2+]C(C)(C)C2 ZINC000757184538 577034209 /nfs/dbraw/zinc/03/42/09/577034209.db2.gz LIQHQZYCOKXKCF-NSHDSACASA-N 2 0 268.401 1.696 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@H]([C@H]2CC[NH2+][C@@H](C)C2)[NH2+]C1 ZINC000757210075 577035818 /nfs/dbraw/zinc/03/58/18/577035818.db2.gz AHKQZOUHOPGIHV-WUHRBBMRSA-N 2 0 254.374 1.306 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001690049229 1175358942 /nfs/dbraw/zinc/35/89/42/1175358942.db2.gz IFTHRGNFDBZDOJ-AWEZNQCLSA-N 2 0 269.433 1.707 10 0 CDAERP C[C@@H]1C[C@H](N[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC[N@@H+]1C ZINC000925514458 617420746 /nfs/dbraw/zinc/42/07/46/617420746.db2.gz FNIAVOONFJPFMH-SYQHCUMBSA-N 2 0 253.434 1.965 10 0 CDAERP C[C@@H]1CCC[N@H+](CCN[C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925550991 617498959 /nfs/dbraw/zinc/49/89/59/617498959.db2.gz OTMYYLRFFJAETG-RDBSUJKOSA-N 2 0 251.418 1.578 10 0 CDAERP CC(C)C(=O)NCCC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925627135 617574363 /nfs/dbraw/zinc/57/43/63/617574363.db2.gz WYJWOAWGWORJKQ-CVEARBPZSA-N 2 0 295.471 1.907 10 0 CDAERP C[C@@H]1CCC[N@@H+]1CCN[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925624357 617571232 /nfs/dbraw/zinc/57/12/32/617571232.db2.gz WENVKFMRUTXPOO-RDBSUJKOSA-N 2 0 253.434 1.966 10 0 CDAERP CC(C)[C@H](O)C(C)(C)C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925626888 617572907 /nfs/dbraw/zinc/57/29/07/617572907.db2.gz UWASXROILSTIEI-AGIUHOORSA-N 2 0 254.418 1.889 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@@H]2COC3(CCOCC3)O2)C1 ZINC000925628495 617576533 /nfs/dbraw/zinc/57/65/33/617576533.db2.gz HPKJDFVXZOSDHU-MGPQQGTHSA-N 2 0 298.427 1.404 10 0 CDAERP OCCOCCC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925631513 617577513 /nfs/dbraw/zinc/57/75/13/617577513.db2.gz HOSMNUODFVTLIJ-CABCVRRESA-N 2 0 270.417 1.143 10 0 CDAERP CCn1nccc1C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925715413 617831127 /nfs/dbraw/zinc/83/11/27/617831127.db2.gz CROCLGQCFPOPSN-NEPJUHHUSA-N 2 0 250.390 1.899 10 0 CDAERP C[N@@H+]1C[C@@H]2C[NH+](C[C@H]3CCC4(CCC4)O3)C[C@]2(C)C1 ZINC000933733644 617598886 /nfs/dbraw/zinc/59/88/86/617598886.db2.gz HGLHQVYAMKYZGN-KFWWJZLASA-N 2 0 264.413 1.972 10 0 CDAERP C[NH+](C)CCOCC[NH2+][C@@H]1CCC[C@H]1Cc1ccccn1 ZINC000926252490 617630930 /nfs/dbraw/zinc/63/09/30/617630930.db2.gz FEKSIBXWRCMKAK-DOTOQJQBSA-N 2 0 291.439 1.961 10 0 CDAERP Cc1nccnc1CC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925676860 617642844 /nfs/dbraw/zinc/64/28/44/617642844.db2.gz TZLPPMJFCJAYPD-STQMWFEESA-N 2 0 262.401 1.823 10 0 CDAERP CC1(C)[C@@H](N[C@@H]2CCC[N@H+](CCCO)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925678523 617648722 /nfs/dbraw/zinc/64/87/22/617648722.db2.gz FNPCFNBVDJALMB-WCVJEAGWSA-N 2 0 295.471 1.199 10 0 CDAERP COC[C@@H]([NH2+][C@@H]1CNCC2(CCOCC2)C1)C1CCCC1 ZINC000925794018 617723127 /nfs/dbraw/zinc/72/31/27/617723127.db2.gz TZDINYJWGHUQPO-JKSUJKDBSA-N 2 0 296.455 1.940 10 0 CDAERP CCn1ccnc1[C@@H](C)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925804036 617740642 /nfs/dbraw/zinc/74/06/42/617740642.db2.gz YDQVUNADFXPEIU-JHJVBQTASA-N 2 0 250.390 1.799 10 0 CDAERP [NH3+][C@H]1C[C@@H]([NH2+]CC2(C3(O)CCOCC3)CC2)C12CCC2 ZINC000925826099 617815567 /nfs/dbraw/zinc/81/55/67/617815567.db2.gz JPNMHONOOOKXHX-QWHCGFSZSA-N 2 0 280.412 1.168 10 0 CDAERP CO[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)[C@H]1CCOC1 ZINC000925714134 617822909 /nfs/dbraw/zinc/82/29/09/617822909.db2.gz OKSMLQCQMGTXRH-YLFCFFPRSA-N 2 0 296.455 1.796 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925718963 617841719 /nfs/dbraw/zinc/84/17/19/617841719.db2.gz LAWAWWXPTOMCFP-QKPAOTATSA-N 2 0 265.445 1.885 10 0 CDAERP C[C@H]1C[C@@H](NC[C@]23CCC[C@H]2[NH2+]CC3)CC[N@@H+]1C ZINC000925840404 617871161 /nfs/dbraw/zinc/87/11/61/617871161.db2.gz AAOYFNXEMXMMGR-BYNSBNAKSA-N 2 0 251.418 1.591 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CCN(CCC[NH2+]C2CC2)C1 ZINC000923416487 618326983 /nfs/dbraw/zinc/32/69/83/618326983.db2.gz XJLMGZBONCBHST-OAHLLOKOSA-N 2 0 253.434 1.825 10 0 CDAERP CC(C)OCC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000923427789 618336010 /nfs/dbraw/zinc/33/60/10/618336010.db2.gz CKGSJWNIDKDSIW-MGPQQGTHSA-N 2 0 258.406 1.079 10 0 CDAERP COC(=O)[C@H]1[C@@H](C[NH2+]Cc2ccc3c[nH+]cn3c2)C1(F)F ZINC000894983900 619183819 /nfs/dbraw/zinc/18/38/19/619183819.db2.gz TUWZIMAGUPRICW-VXGBXAGGSA-N 2 0 295.289 1.478 10 0 CDAERP C[NH+](C)CC1(C(=O)NC[C@@H]2CC[N@@H+]2C)CCCCC1 ZINC000928559664 619379766 /nfs/dbraw/zinc/37/97/66/619379766.db2.gz LYTDBVPALLBWOQ-ZDUSSCGKSA-N 2 0 267.417 1.319 10 0 CDAERP CC[C@@H](C[C@@](C)(O)CC)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000925216984 620564211 /nfs/dbraw/zinc/56/42/11/620564211.db2.gz VDNALBIEQWXOTM-RDJZCZTQSA-N 2 0 299.503 1.932 10 0 CDAERP C[NH+](C)C1CC(NC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000897667749 621061673 /nfs/dbraw/zinc/06/16/73/621061673.db2.gz WJGBDSWJRRGUDK-HTAVTVPLSA-N 2 0 253.390 1.068 10 0 CDAERP C[C@@H]1[C@H](NC(=O)N(C)CC[C@@H]2CCCC[NH+]2C)CC[N@@H+]1C ZINC000925326674 621554232 /nfs/dbraw/zinc/55/42/32/621554232.db2.gz MXOFGGFZPFNIDV-QLFBSQMISA-N 2 0 296.459 1.595 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCc1nncn1-c1ccccc1 ZINC000924645973 621631533 /nfs/dbraw/zinc/63/15/33/621631533.db2.gz QBKJZYROLATKFO-VMZNBEPHSA-N 2 0 297.406 1.697 10 0 CDAERP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2ccns2)CC1 ZINC000924667471 621644995 /nfs/dbraw/zinc/64/49/95/621644995.db2.gz KEYNEMMTORLATJ-QWHCGFSZSA-N 2 0 282.457 1.820 10 0 CDAERP CC[N@H+](CC(=O)N[C@@H]1CCCN(CCF)C1)C1CC1 ZINC000898495217 621765340 /nfs/dbraw/zinc/76/53/40/621765340.db2.gz KBLFMFODMYJPAI-GFCCVEGCSA-N 2 0 271.380 1.021 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=[NH2+])N[C@H](C)C2CC2)C1 ZINC000899265041 622128847 /nfs/dbraw/zinc/12/88/47/622128847.db2.gz REFVGJGOKGVYKD-VXGBXAGGSA-N 2 0 252.406 1.629 10 0 CDAERP CC[C@@H](CNC(=[NH2+])N[C@H](C)C1CC1)[NH+]1CCCC1 ZINC000899266027 622130972 /nfs/dbraw/zinc/13/09/72/622130972.db2.gz NSOFEJLMCHDYPC-YPMHNXCESA-N 2 0 252.406 1.773 10 0 CDAERP C[C@@H](NC(=[NH2+])NC[C@H]1CCCC[N@@H+]1C1CC1)C1CC1 ZINC000899271590 622136915 /nfs/dbraw/zinc/13/69/15/622136915.db2.gz HIGSCZYXQJGMES-BXUZGUMPSA-N 2 0 264.417 1.916 10 0 CDAERP O=C(N1CCC[C@H]1C[NH+]1CCCC1)C12CC[NH+](CC1)C2 ZINC000900442254 623064190 /nfs/dbraw/zinc/06/41/90/623064190.db2.gz OTSMHFVIDBPEOG-AWEZNQCLSA-N 2 0 277.412 1.169 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC000900884553 623605783 /nfs/dbraw/zinc/60/57/83/623605783.db2.gz BYKWPNFDMSONQI-BZUAXINKSA-N 2 0 293.455 1.946 10 0 CDAERP C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1c1ccccc1 ZINC000901235276 624025079 /nfs/dbraw/zinc/02/50/79/624025079.db2.gz UQCSPQBBHBFINR-HZPDHXFCSA-N 2 0 299.418 1.644 10 0 CDAERP C1CCC([NH+]2CCC([NH2+][C@@H]3CCO[C@@]34CCOC4)CC2)C1 ZINC000903107423 625843822 /nfs/dbraw/zinc/84/38/22/625843822.db2.gz UFSHAEIOWQNKFC-IAGOWNOFSA-N 2 0 294.439 1.931 10 0 CDAERP CCO[C@H]1C[C@@H](O)C12CC[NH+](C[C@@H]1CC[C@H]([NH3+])C1)CC2 ZINC000903440087 625992485 /nfs/dbraw/zinc/99/24/85/625992485.db2.gz SDSACHIEOKPTMS-BARDWOONSA-N 2 0 282.428 1.366 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000903442459 625997065 /nfs/dbraw/zinc/99/70/65/625997065.db2.gz REMXTOJDXNOZDW-CABCVRRESA-N 2 0 265.445 1.792 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000903453509 626001053 /nfs/dbraw/zinc/00/10/53/626001053.db2.gz AHGAWONPNXRLIZ-BARDWOONSA-N 3 0 251.418 1.163 10 0 CDAERP FC1(F)[C@@H]2C[C@@H](C[NH+]3CCN([C@H]4CC[NH2+]C4)CC3)C[C@@H]21 ZINC000903452862 626001096 /nfs/dbraw/zinc/00/10/96/626001096.db2.gz SXYOAMUOZINLEY-XDQVBPFNSA-N 2 0 285.382 1.257 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000903454028 626001380 /nfs/dbraw/zinc/00/13/80/626001380.db2.gz RVPHAOVPMJLAHL-CBBWQLFWSA-N 2 0 251.418 1.448 10 0 CDAERP COc1ccc([C@@H](C[NH3+])CN[C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000903470448 626003621 /nfs/dbraw/zinc/00/36/21/626003621.db2.gz BUIJPKVFOIEGTL-GOEBONIOSA-N 2 0 289.423 1.612 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cnc(C)s1)C2 ZINC000903492290 626010973 /nfs/dbraw/zinc/01/09/73/626010973.db2.gz AJWVOYQKCALYJP-WDMOLILDSA-N 2 0 295.408 1.164 10 0 CDAERP C(CN1CC[C@H]2[NH2+]CC[C@@H]2C1)OC1CCSCC1 ZINC000903750361 626072486 /nfs/dbraw/zinc/07/24/86/626072486.db2.gz YRWUFXSYFMUIQM-TZMCWYRMSA-N 2 0 270.442 1.582 10 0 CDAERP C([C@@H]1C[C@H]2COC[C@@H]2O1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000903750105 626072506 /nfs/dbraw/zinc/07/25/06/626072506.db2.gz UVMIKRALMVUVRE-VGWMRTNUSA-N 2 0 280.412 1.112 10 0 CDAERP C(c1[nH]nc2c1COCC2)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000903752694 626074169 /nfs/dbraw/zinc/07/41/69/626074169.db2.gz UDGWPXGDERSUJS-AWEZNQCLSA-N 2 0 290.411 1.446 10 0 CDAERP C1=CC[C@@H]2C[N@@H+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)C[C@@H]2C1 ZINC000903777380 626090145 /nfs/dbraw/zinc/09/01/45/626090145.db2.gz ATUVNWHISCKHLB-QKPAOTATSA-N 2 0 262.397 1.653 10 0 CDAERP CC(C)[C@H]([NH3+])CC[N@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903873027 626127100 /nfs/dbraw/zinc/12/71/00/626127100.db2.gz DMKBGVJBIQRVRF-JALIKCBVSA-N 3 0 253.434 1.822 10 0 CDAERP CCCC[N@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903873625 626128125 /nfs/dbraw/zinc/12/81/25/626128125.db2.gz VSMHSPFZRMCTQQ-GFCCVEGCSA-N 2 0 251.378 1.435 10 0 CDAERP C[N@H+](CCCO)C1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903892352 626133518 /nfs/dbraw/zinc/13/35/18/626133518.db2.gz HSFTZLRGKQNYGI-MQVJKMGUSA-N 3 0 295.471 1.296 10 0 CDAERP CC[N@H+](C[C@H](C[NH3+])Cc1cnn(C)c1C)C[C@H]1CCCO1 ZINC000903886631 626133609 /nfs/dbraw/zinc/13/36/09/626133609.db2.gz SBGSUYLFPVGZRK-GOEBONIOSA-N 2 0 294.443 1.347 10 0 CDAERP CCCCN(CCOC)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903893613 626135162 /nfs/dbraw/zinc/13/51/62/626135162.db2.gz XGMQXSNHUGGLAL-AWEZNQCLSA-N 2 0 295.431 1.451 10 0 CDAERP C[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCOCC1 ZINC000903920276 626146700 /nfs/dbraw/zinc/14/67/00/626146700.db2.gz HZHSNNZTCSPTBI-YPRXJGMQSA-N 2 0 252.402 1.922 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[NH2+]C[C@@H]2CCCCO2)cnn1C ZINC000903926527 626148981 /nfs/dbraw/zinc/14/89/81/626148981.db2.gz LQNXPCCCEQBGEA-ZFWWWQNUSA-N 2 0 280.416 1.005 10 0 CDAERP [NH3+]Cc1nc2c(s1)CCN([C@H]1CCC[C@@H]([NH3+])C1)C2 ZINC000903945070 626163076 /nfs/dbraw/zinc/16/30/76/626163076.db2.gz PUEFRSGPACJBCM-ZJUUUORDSA-N 2 0 266.414 1.230 10 0 CDAERP COC(=O)c1cc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c[nH]1 ZINC000903977364 626169868 /nfs/dbraw/zinc/16/98/68/626169868.db2.gz PROMEBHZAXIZDN-ZYHUDNBSSA-N 2 0 265.357 1.218 10 0 CDAERP C[C@@H]1C[N@H+](Cc2ccccc2-n2cncn2)C[C@H]1CC[NH3+] ZINC000903977115 626170008 /nfs/dbraw/zinc/17/00/08/626170008.db2.gz JOHGSZVBVUZGHC-ZIAGYGMSSA-N 2 0 285.395 1.684 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000903966817 626172158 /nfs/dbraw/zinc/17/21/58/626172158.db2.gz CNRWSUNWIJENAZ-MLGHIDQZSA-N 2 0 272.483 1.811 10 0 CDAERP CC(C)COC(=O)N1CCC([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903967402 626172183 /nfs/dbraw/zinc/17/21/83/626172183.db2.gz JAAVSIPDHQCMSH-KGLIPLIRSA-N 2 0 297.443 1.689 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000903968390 626172665 /nfs/dbraw/zinc/17/26/65/626172665.db2.gz UVCKMARGRBNDOM-MNOVXSKESA-N 2 0 279.350 1.458 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[NH2+][C@@H]2CCO[C@H]2C2CC2)cnn1C ZINC000903986910 626174350 /nfs/dbraw/zinc/17/43/50/626174350.db2.gz SRXICOZNAUCAJT-WQVCFCJDSA-N 2 0 292.427 1.003 10 0 CDAERP COC(=O)C[C@@H]1C[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)C[C@H]1C ZINC000903986551 626174410 /nfs/dbraw/zinc/17/44/10/626174410.db2.gz LZIQGWSTUZWIKA-YIYPIFLZSA-N 2 0 268.401 1.506 10 0 CDAERP C([NH2+]CC1CC1)c1nc(CC2CC[NH2+]CC2)no1 ZINC000905316190 626745688 /nfs/dbraw/zinc/74/56/88/626745688.db2.gz AXYNAMPUVNCCPC-UHFFFAOYSA-N 2 0 250.346 1.111 10 0 CDAERP CCN1CCN(C(=O)C(C)(C)n2cnc(C)c2)[C@@H](C)C1 ZINC000908141324 628042714 /nfs/dbraw/zinc/04/27/14/628042714.db2.gz VCARTYCVZWVHSC-ZDUSSCGKSA-N 2 0 278.400 1.479 10 0 CDAERP C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)[C@H]1CCC[N@@H+]1C ZINC000912649168 630126428 /nfs/dbraw/zinc/12/64/28/630126428.db2.gz PRUDPIBLKIVYSF-RBSFLKMASA-N 2 0 281.444 1.802 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912917113 630285689 /nfs/dbraw/zinc/28/56/89/630285689.db2.gz VHQWUONFFRGTFS-MGPQQGTHSA-N 2 0 265.401 1.166 10 0 CDAERP O=C(CCCC[NH+]1CCCC1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912920479 630290053 /nfs/dbraw/zinc/29/00/53/630290053.db2.gz WQORYZAVSVINLL-HNNXBMFYSA-N 2 0 279.428 1.559 10 0 CDAERP O=C(NC12CC[NH+](CC1)C2)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000913629307 630718877 /nfs/dbraw/zinc/71/88/77/630718877.db2.gz WMHNGPACHSBMJU-INIZCTEOSA-N 2 0 299.418 1.615 10 0 CDAERP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)C2(O)CCCC2)C1 ZINC000929762314 630826946 /nfs/dbraw/zinc/82/69/46/630826946.db2.gz DUAXGGMYBRIOJT-HOTGVXAUSA-N 2 0 296.455 1.316 10 0 CDAERP C[C@H]1[C@@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)CC[N@@H+]1C ZINC000913886291 630863737 /nfs/dbraw/zinc/86/37/37/630863737.db2.gz YEBYRCKQKYACOZ-KBPBESRZSA-N 2 0 296.459 1.643 10 0 CDAERP C[C@H]1[C@@H](NC(=O)NCC[NH+]2CCC(C)CC2)CC[N@@H+]1C ZINC000914075037 631009475 /nfs/dbraw/zinc/00/94/75/631009475.db2.gz QGBOQYJRXHXJNZ-KBPBESRZSA-N 2 0 282.432 1.110 10 0 CDAERP CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[NH+](C)[C@H]2C)C1 ZINC000916835895 632087409 /nfs/dbraw/zinc/08/74/09/632087409.db2.gz GAYISGKGQSQHQJ-BFHYXJOUSA-N 2 0 282.432 1.110 10 0 CDAERP COC/C(C)=C\C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000930059249 632501543 /nfs/dbraw/zinc/50/15/43/632501543.db2.gz BRUGEIXHVHFILD-JXQAROLSSA-N 2 0 282.428 1.763 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)N[C@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC000925346172 633194388 /nfs/dbraw/zinc/19/43/88/633194388.db2.gz RUZORLPBGQHEKJ-KBPBESRZSA-N 2 0 296.459 1.595 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001670712879 1158714888 /nfs/dbraw/zinc/71/48/88/1158714888.db2.gz DPWIGJJANUJCFE-CGFBPQRUSA-N 2 0 293.455 1.875 10 0 CDAERP CCCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001690756690 1158768574 /nfs/dbraw/zinc/76/85/74/1158768574.db2.gz XBOOOLXWTMCCFC-LSDHHAIUSA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)=CC[NH2+]CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001691321647 1159016943 /nfs/dbraw/zinc/01/69/43/1159016943.db2.gz GBJSHSDRQBGSOS-OAHLLOKOSA-N 2 0 279.428 1.342 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NCC1([NH+](C)C)CCC1 ZINC001633181025 1166407109 /nfs/dbraw/zinc/40/71/09/1166407109.db2.gz XVHHXZICPDACNG-GFCCVEGCSA-N 2 0 255.406 1.175 10 0 CDAERP CCCC[NH2+]C/C=C\CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001274612161 1166639648 /nfs/dbraw/zinc/63/96/48/1166639648.db2.gz YKAFBSRFNFWSRW-SRLDXXQCSA-N 2 0 281.444 1.921 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000355232252 1167340187 /nfs/dbraw/zinc/34/01/87/1167340187.db2.gz QVPWJRQVLIDULW-GJZGRUSLSA-N 2 0 283.460 1.763 10 0 CDAERP CC(C)=CC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001568362924 1168109793 /nfs/dbraw/zinc/10/97/93/1168109793.db2.gz MGKKJESFSJUADV-HUUCEWRRSA-N 2 0 281.444 1.731 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CCCF ZINC001567016707 1168511439 /nfs/dbraw/zinc/51/14/39/1168511439.db2.gz LJTHJOKDUCXWOX-CHWSQXEVSA-N 2 0 273.396 1.313 10 0 CDAERP CC(C)C[C@H](C[NH2+]CCF)NC(=O)C[NH+]1CCCC1 ZINC001568338866 1169254185 /nfs/dbraw/zinc/25/41/85/1169254185.db2.gz IZJUFOXKJDRGTR-CYBMUJFWSA-N 2 0 273.396 1.172 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C1CCCCC1 ZINC001568345596 1169254459 /nfs/dbraw/zinc/25/44/59/1169254459.db2.gz MXNWJYSEVQDMPB-CQSZACIVSA-N 2 0 269.433 1.613 10 0 CDAERP CC[C@@H](C)C[NH2+]C/C=C\CNC(=O)C1([NH+](C)C)CCC1 ZINC001568862577 1169524016 /nfs/dbraw/zinc/52/40/16/1169524016.db2.gz LGZUNNKYMXPYRG-LMVHVUTASA-N 2 0 281.444 1.779 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+]CCC2CCCC2)C1 ZINC001568964023 1169566820 /nfs/dbraw/zinc/56/68/20/1169566820.db2.gz MXHBZTXFCZNGPM-AWFCHZOYSA-N 2 0 293.455 1.780 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]CCF ZINC001569218342 1169724746 /nfs/dbraw/zinc/72/47/46/1169724746.db2.gz RORQWOLUOGFZER-CQSZACIVSA-N 2 0 287.423 1.514 10 0 CDAERP CCC[N@H+](C)CCC(=O)N(C)C1C[NH+](CC2CC2)C1 ZINC001569504210 1169903730 /nfs/dbraw/zinc/90/37/30/1169903730.db2.gz IEDIKEZQNHNUPU-UHFFFAOYSA-N 2 0 267.417 1.271 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@](C)(C[NH2+]C/C=C/Cl)C1 ZINC001569680836 1169965977 /nfs/dbraw/zinc/96/59/77/1169965977.db2.gz YOIXMWRFVPJEJC-DKIZZRPMSA-N 2 0 299.846 1.661 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](CC[NH2+]CC3CCC3)C2)C1 ZINC001570019828 1170059809 /nfs/dbraw/zinc/05/98/09/1170059809.db2.gz WHXLABQCUMFPQD-CVEARBPZSA-N 2 0 293.455 1.566 10 0 CDAERP CC(C)=CC[NH2+]CC1CC(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001570565415 1170190677 /nfs/dbraw/zinc/19/06/77/1170190677.db2.gz YUTWNRQFIZFBCW-GPANFISMSA-N 2 0 293.455 1.921 10 0 CDAERP CC(C)C[NH+]1CC([C@@H](C)NC(=O)C[N@H+](C)C(C)C)C1 ZINC001570863256 1170305639 /nfs/dbraw/zinc/30/56/39/1170305639.db2.gz BHWBMLBZQKAARX-CYBMUJFWSA-N 2 0 269.433 1.419 10 0 CDAERP CC(C)[N@H+](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001571333383 1170370538 /nfs/dbraw/zinc/37/05/38/1170370538.db2.gz OQFIUPUBIFCVOF-UHFFFAOYSA-N 2 0 255.406 1.269 10 0 CDAERP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[NH2+]CCF ZINC001656447967 1171826815 /nfs/dbraw/zinc/82/68/15/1171826815.db2.gz KYEPKEXEFWLUFT-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@@H]1CC[C@@H]2C[C@@H](C)C[N@@H+]2C1 ZINC001586897260 1172964470 /nfs/dbraw/zinc/96/44/70/1172964470.db2.gz AIGWEHJDBYAQGB-BZUAXINKSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](C[NH2+]CCCF)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001666928244 1173208836 /nfs/dbraw/zinc/20/88/36/1173208836.db2.gz ZJZKMWWYTUWADJ-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP CC[NH2+][C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001673923305 1173898697 /nfs/dbraw/zinc/89/86/97/1173898697.db2.gz IMKVZJXBUVGHFV-STQMWFEESA-N 2 0 255.406 1.175 10 0 CDAERP CC/C=C/CC[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001690879356 1175598133 /nfs/dbraw/zinc/59/81/33/1175598133.db2.gz GFSWLKWMFXVLKN-MUHKLVGJSA-N 2 0 281.444 1.779 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCCF)C2)CC[N@@H+]1C ZINC001691807582 1175630425 /nfs/dbraw/zinc/63/04/25/1175630425.db2.gz XBOFXWRDEMHSRW-AJNGGQMLSA-N 2 0 299.434 1.561 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+]C(C)C)C1 ZINC001691935755 1175653474 /nfs/dbraw/zinc/65/34/74/1175653474.db2.gz QCMNTKMHIIVEBA-UONOGXRCSA-N 2 0 269.433 1.611 10 0 CDAERP COCC[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001698823610 1175951364 /nfs/dbraw/zinc/95/13/64/1175951364.db2.gz IYWIMRWJEYVWRE-CQSZACIVSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@H](CC[NH2+]CC1CCC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001699088996 1176084833 /nfs/dbraw/zinc/08/48/33/1176084833.db2.gz VCWTYYOCYDYIRM-OCCSQVGLSA-N 2 0 267.417 1.365 10 0 CDAERP CCN(CC[NH2+]CC1CCC1)C(=O)C[NH+]1CCCC1 ZINC001699216649 1176144295 /nfs/dbraw/zinc/14/42/95/1176144295.db2.gz MDTLFDUGYOIPSA-UHFFFAOYSA-N 2 0 267.417 1.320 10 0 CDAERP CCCCC[NH2+]C/C=C/CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001699259109 1176182678 /nfs/dbraw/zinc/18/26/78/1176182678.db2.gz JSNSLRKNROKHPV-SQRWCISFSA-N 2 0 293.455 1.780 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NC/C=C/C[NH2+]Cc2ccsc2)C1 ZINC001699343007 1176276413 /nfs/dbraw/zinc/27/64/13/1176276413.db2.gz VOACNEVEEVSHQG-BAABZTOOSA-N 2 0 293.436 1.462 10 0 CDAERP COCCC[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001699467678 1176429425 /nfs/dbraw/zinc/42/94/25/1176429425.db2.gz NIDYKAWUNWERCR-OAHLLOKOSA-N 2 0 299.459 1.191 10 0 CDAERP Cc1ccccc1C[NH2+]CCCN(C)C(=O)CC[NH+](C)C ZINC001699531672 1176464899 /nfs/dbraw/zinc/46/48/99/1176464899.db2.gz CWPSNJSUUZWPST-UHFFFAOYSA-N 2 0 291.439 1.885 10 0 CDAERP CC[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001700566766 1177018015 /nfs/dbraw/zinc/01/80/15/1177018015.db2.gz GJMYLQNBEHBKIW-GFCCVEGCSA-N 2 0 267.417 1.317 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CCCF)C1)[NH+](C)C ZINC001700644231 1177053709 /nfs/dbraw/zinc/05/37/09/1177053709.db2.gz STRAGGQJVGIDRI-IHRRRGAJSA-N 2 0 287.423 1.417 10 0 CDAERP C[C@@H]1[C@@H]([NH2+]CCCF)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001700863327 1177170680 /nfs/dbraw/zinc/17/06/80/1177170680.db2.gz YKDXEFXQJYYHAY-CABCVRRESA-N 2 0 299.434 1.801 10 0 CDAERP CC[N@H+](C)CCN(C(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001700976679 1177220514 /nfs/dbraw/zinc/22/05/14/1177220514.db2.gz ZFKJBNGJYBZEJJ-UHFFFAOYSA-N 2 0 267.417 1.271 10 0 CDAERP CN(C(=O)CCC[NH+]1CCCC1)C1CC([NH2+]CCCF)C1 ZINC001701029908 1177244872 /nfs/dbraw/zinc/24/48/72/1177244872.db2.gz MSQRHGHFQMKBDN-UHFFFAOYSA-N 2 0 299.434 1.801 10 0 CDAERP CC1CC(C[N@H+](C)CCCNC(=O)C[NH+](C)C2CCC2)C1 ZINC001712952229 1178265251 /nfs/dbraw/zinc/26/52/51/1178265251.db2.gz IZXOSLOHHBMFEE-UHFFFAOYSA-N 2 0 295.471 1.955 10 0 CDAERP O=C(CCC[NH+]1CCCCC1)N[C@H]1C[C@H]([NH2+]CCCF)C1 ZINC001713174898 1178413944 /nfs/dbraw/zinc/41/39/44/1178413944.db2.gz JSJPENKBPAKYHP-SHTZXODSSA-N 2 0 299.434 1.849 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001713243884 1178449492 /nfs/dbraw/zinc/44/94/92/1178449492.db2.gz BYNKGRHMTMBFIO-OAHLLOKOSA-N 2 0 283.460 1.957 10 0 CDAERP C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]CCCF ZINC001713316364 1178493104 /nfs/dbraw/zinc/49/31/04/1178493104.db2.gz PHEAOEQDGVMOPC-QWHCGFSZSA-N 2 0 273.396 1.315 10 0 CDAERP CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001713383129 1178529463 /nfs/dbraw/zinc/52/94/63/1178529463.db2.gz WDNKIFYOJRBHMB-ZIAGYGMSSA-N 2 0 269.433 1.755 10 0 CDAERP CCOCC[NH2+][C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001713924370 1178850590 /nfs/dbraw/zinc/85/05/90/1178850590.db2.gz NNPYQZJWBREQIK-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CCOCC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001713955744 1178886550 /nfs/dbraw/zinc/88/65/50/1178886550.db2.gz JTYWUYNHYXSLEK-HDJSIYSDSA-N 2 0 297.443 1.134 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](CC[NH2+]CC2CC2)C1 ZINC001714239745 1179040518 /nfs/dbraw/zinc/04/05/18/1179040518.db2.gz WQVQFZDTBFGMQI-MRXNPFEDSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH2+]C/C=C\Cl)CC[N@@H+]1C ZINC001714334773 1179089697 /nfs/dbraw/zinc/08/96/97/1179089697.db2.gz LKSMFPDYHZQQDO-AMHIOGKXSA-N 2 0 299.846 1.660 10 0 CDAERP CCC[NH2+]C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001714363981 1179106553 /nfs/dbraw/zinc/10/65/53/1179106553.db2.gz KVEDZRVUKGCXIS-CYBMUJFWSA-N 2 0 267.417 1.176 10 0 CDAERP CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001714387055 1179117709 /nfs/dbraw/zinc/11/77/09/1179117709.db2.gz ZTQZUQNYNVZMLG-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](C[NH2+]CC1CC1)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001714750839 1179376449 /nfs/dbraw/zinc/37/64/49/1179376449.db2.gz OHOVELSRDOTBFW-QWHCGFSZSA-N 2 0 267.417 1.175 10 0 CDAERP C[C@H](C[NH2+]CCC1CC1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001714821381 1179411372 /nfs/dbraw/zinc/41/13/72/1179411372.db2.gz HVVWJIOVYDCHBL-UKRRQHHQSA-N 2 0 281.444 1.565 10 0 CDAERP CCCCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001715059765 1179533824 /nfs/dbraw/zinc/53/38/24/1179533824.db2.gz XNDASUMAPLKZDY-KBPBESRZSA-N 2 0 269.433 1.755 10 0 CDAERP CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001715094696 1179548946 /nfs/dbraw/zinc/54/89/46/1179548946.db2.gz QDBIUROGDXLGFV-ZIAGYGMSSA-N 2 0 269.433 1.563 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCCF)[C@H](C)C1 ZINC001715096740 1179549671 /nfs/dbraw/zinc/54/96/71/1179549671.db2.gz HISXSBZFTMGWFF-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@@H](C[NH2+]CCCCCF)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001715370427 1179646108 /nfs/dbraw/zinc/64/61/08/1179646108.db2.gz AHIPSVGESABDKA-AWEZNQCLSA-N 2 0 299.434 1.659 10 0 CDAERP C[C@@H](C[NH2+]CCC(C)(C)C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001715371626 1179647033 /nfs/dbraw/zinc/64/70/33/1179647033.db2.gz IFJQFOQKDWIGSH-AWEZNQCLSA-N 2 0 295.471 1.955 10 0 CDAERP CCN(CC[NH2+]CC1CC1)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001715735334 1179785145 /nfs/dbraw/zinc/78/51/45/1179785145.db2.gz UIDLYMHZLFXSMG-HNNXBMFYSA-N 2 0 281.444 1.707 10 0 CDAERP CCN(CC[NH2+]CC1CC1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001715763038 1179795449 /nfs/dbraw/zinc/79/54/49/1179795449.db2.gz JLWQIZFDNMXURQ-CVEARBPZSA-N 2 0 293.455 1.851 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CCF ZINC001715824916 1179850946 /nfs/dbraw/zinc/85/09/46/1179850946.db2.gz NXOZXCUEHJIYBX-DHCBQETCSA-N 2 0 271.380 1.092 10 0 CDAERP CC[C@H](F)C[N@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001716037379 1180012209 /nfs/dbraw/zinc/01/22/09/1180012209.db2.gz BXAWYMWWNSBZDJ-RYUDHWBXSA-N 2 0 261.385 1.123 10 0 CDAERP CC/C=C\CC[NH2+]C[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001716437685 1180209218 /nfs/dbraw/zinc/20/92/18/1180209218.db2.gz UKRSPSPLFMHQOC-YMEQAZQUSA-N 2 0 293.455 1.779 10 0 CDAERP COCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001716707718 1180380596 /nfs/dbraw/zinc/38/05/96/1180380596.db2.gz BAQLMEQFLJICSR-GOOCMWNKSA-N 2 0 297.443 1.086 10 0 CDAERP CC(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001716968838 1180485938 /nfs/dbraw/zinc/48/59/38/1180485938.db2.gz GBCHXHGWHGHPDV-KBPBESRZSA-N 2 0 269.433 1.421 10 0 CDAERP CCCCC[NH+]1CCC(CO)(NC(=O)CC[NH+](C)C)CC1 ZINC001717352613 1180626595 /nfs/dbraw/zinc/62/65/95/1180626595.db2.gz JXEOUTZLYIEMLP-UHFFFAOYSA-N 2 0 299.459 1.071 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CCCF)C[C@@H]1C ZINC001717827171 1180881248 /nfs/dbraw/zinc/88/12/48/1180881248.db2.gz GUNLNQFEOFFCEH-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]CCC2CC2)C(C)(C)C)C1 ZINC001717972143 1180953217 /nfs/dbraw/zinc/95/32/17/1180953217.db2.gz AOWBYEMHQUTPRU-GJZGRUSLSA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)C[NH2+]CC[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001724727803 1181734411 /nfs/dbraw/zinc/73/44/11/1181734411.db2.gz UWQFLQBOTHHPON-OAHLLOKOSA-N 2 0 295.471 1.812 10 0 CDAERP CC[N@H+](C)[C@@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001725174266 1181905660 /nfs/dbraw/zinc/90/56/60/1181905660.db2.gz SVSNCKDWLDVQHP-QWHCGFSZSA-N 2 0 255.406 1.317 10 0 CDAERP C[NH+](C)CCCCC(=O)N1C[C@H]([NH2+]CCF)C(C)(C)C1 ZINC001725673809 1182094105 /nfs/dbraw/zinc/09/41/05/1182094105.db2.gz AXVSPMBMNAXBAQ-ZDUSSCGKSA-N 2 0 287.423 1.514 10 0 CDAERP CCCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001725778251 1182129682 /nfs/dbraw/zinc/12/96/82/1182129682.db2.gz XROUSRXLFNSIGK-RUXDESIVSA-N 2 0 267.417 1.460 10 0 CDAERP CCCC[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001731283790 1182295039 /nfs/dbraw/zinc/29/50/39/1182295039.db2.gz VYFZFKCLKVAFHW-ZDUSSCGKSA-N 2 0 255.406 1.176 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001731668981 1182510851 /nfs/dbraw/zinc/51/08/51/1182510851.db2.gz LDBUKMBHBVDLPX-AWEZNQCLSA-N 2 0 281.444 1.566 10 0 CDAERP CC[NH2+]CCc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001731703658 1182523959 /nfs/dbraw/zinc/52/39/59/1182523959.db2.gz QVPAFEVHHPIGFJ-INIZCTEOSA-N 2 0 289.423 1.549 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001731792283 1182585049 /nfs/dbraw/zinc/58/50/49/1182585049.db2.gz SIBAGFNGGJDCPC-CYBMUJFWSA-N 2 0 267.417 1.176 10 0 CDAERP CCC[NH+](CCC)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001731871108 1182639210 /nfs/dbraw/zinc/63/92/10/1182639210.db2.gz ZFKTUFLWHPWHCM-UHFFFAOYSA-N 2 0 267.417 1.320 10 0 CDAERP CN(CC[NH2+]CCC1CCCCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001731984794 1182714041 /nfs/dbraw/zinc/71/40/41/1182714041.db2.gz ZEFPWHZDIBRYFZ-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP CC[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC=C(C)C ZINC001732210024 1182858399 /nfs/dbraw/zinc/85/83/99/1182858399.db2.gz DUWYHYPFDAMJNM-HUUCEWRRSA-N 2 0 281.444 1.779 10 0 CDAERP C[C@H](CC[NH2+]Cc1ccccn1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001732679670 1183080896 /nfs/dbraw/zinc/08/08/96/1183080896.db2.gz AJJOOPJPRVSGIH-HIFRSBDPSA-N 2 0 290.411 1.160 10 0 CDAERP C[C@@H](CC[NH2+]CC1CCCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001732755436 1183109716 /nfs/dbraw/zinc/10/97/16/1183109716.db2.gz YVMYRIDMEUIUQY-DZGCQCFKSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC[C@H](C)F ZINC001732849465 1183158036 /nfs/dbraw/zinc/15/80/36/1183158036.db2.gz FKVMLVKVDDEVNV-WFVIONGDSA-N 2 0 299.434 1.869 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H](CC[NH2+]CC)C2)C1 ZINC001733661627 1183491980 /nfs/dbraw/zinc/49/19/80/1183491980.db2.gz RNOAWYJFFASSIP-JKSUJKDBSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)OCCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001734063681 1183644680 /nfs/dbraw/zinc/64/46/80/1183644680.db2.gz BCSASEORMKJUPE-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001734432261 1183777456 /nfs/dbraw/zinc/77/74/56/1183777456.db2.gz LWPPTRWRPSFOTA-KBPBESRZSA-N 2 0 267.417 1.461 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001734479294 1183794344 /nfs/dbraw/zinc/79/43/44/1183794344.db2.gz MFEZQPBUFBDYCD-ZFWWWQNUSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@H](C)C[C@@H]([NH3+])C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000400814912 1186380511 /nfs/dbraw/zinc/38/05/11/1186380511.db2.gz NFDFFMXWOLARDQ-IACUBPJLSA-N 2 0 267.417 1.303 10 0 CDAERP CCN(C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C)[C@@H]1CC[N@H+](C)C1 ZINC001771786345 1186871085 /nfs/dbraw/zinc/87/10/85/1186871085.db2.gz XMDGVWDJRUAWAK-KFWWJZLASA-N 2 0 296.459 1.595 10 0 CDAERP C[C@H]([NH2+][C@@H]1CCCN2CCSC[C@H]12)[C@H]1CCC[NH2+]C1 ZINC000720494946 779834156 /nfs/dbraw/zinc/83/41/56/779834156.db2.gz JXOCQPDUSATBAM-BYNSBNAKSA-N 2 0 283.485 1.544 10 0 CDAERP COC[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)C(C)C ZINC000925844274 773807316 /nfs/dbraw/zinc/80/73/16/773807316.db2.gz JJQCGJKUBOTBFO-OAHLLOKOSA-N 2 0 271.449 1.323 10 0 CDAERP C([NH2+][C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724588492 773808212 /nfs/dbraw/zinc/80/82/12/773808212.db2.gz ANCAMZCGQLJFCZ-NMHRLERGSA-N 2 0 280.412 1.301 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cnc(Cl)n2C)CC1 ZINC000848527839 773808222 /nfs/dbraw/zinc/80/82/22/773808222.db2.gz GBYPKBSOUMFPIV-GFCCVEGCSA-N 2 0 299.850 1.189 10 0 CDAERP C[C@@H](C1CC1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000777691617 773824022 /nfs/dbraw/zinc/82/40/22/773824022.db2.gz MDBJBUBYVSZIHF-ZDUSSCGKSA-N 2 0 252.402 1.829 10 0 CDAERP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)CC1 ZINC000924629656 773827996 /nfs/dbraw/zinc/82/79/96/773827996.db2.gz RDDDPBOHHCYWBE-ARFHVFGLSA-N 2 0 277.456 1.957 10 0 CDAERP CC[N@H+](CC(=O)N1CC[NH+](C)C(C)(C)CC1)C1CC1 ZINC000871154815 773931694 /nfs/dbraw/zinc/93/16/94/773931694.db2.gz KGXWOCBKYKSJDB-UHFFFAOYSA-N 2 0 267.417 1.413 10 0 CDAERP Fc1cc(Cl)ccc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000923459955 773937584 /nfs/dbraw/zinc/93/75/84/773937584.db2.gz NICDIEXTDMFHQT-UHFFFAOYSA-N 2 0 271.767 1.474 10 0 CDAERP CSC(C)(C)C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000855344782 773956745 /nfs/dbraw/zinc/95/67/45/773956745.db2.gz GBBNXYFSOXOAJN-LBPRGKRZSA-N 2 0 289.489 1.516 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1COc2ccccc2C1 ZINC000817892543 773968119 /nfs/dbraw/zinc/96/81/19/773968119.db2.gz UKQHATUKAXNLPR-UKRRQHHQSA-N 2 0 278.396 1.581 10 0 CDAERP COC[C@@H](O)C[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000802310399 773994140 /nfs/dbraw/zinc/99/41/40/773994140.db2.gz RGKQRQWAAHXSFC-BPUTZDHNSA-N 2 0 284.444 1.626 10 0 CDAERP C[C@@H](CCC1CC1)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925854716 774036694 /nfs/dbraw/zinc/03/66/94/774036694.db2.gz JPOQFFAFVQVCDH-JSGCOSHPSA-N 2 0 280.412 1.840 10 0 CDAERP COC[C@](C)(CC(=O)OC)[NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923377785 774043985 /nfs/dbraw/zinc/04/39/85/774043985.db2.gz XNHBGSNPQZVUDB-HUORLRHWSA-N 2 0 298.427 1.465 10 0 CDAERP O=C(CCCC[NH+]1CCCC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000844192630 774056061 /nfs/dbraw/zinc/05/60/61/774056061.db2.gz CVKKUBDLPKACNX-OAHLLOKOSA-N 2 0 279.428 1.605 10 0 CDAERP FC(F)(F)CN1CC[C@H](C[NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000129117253 774087738 /nfs/dbraw/zinc/08/77/38/774087738.db2.gz FDHLTVXORRYCFR-VXGBXAGGSA-N 2 0 279.350 1.602 10 0 CDAERP C[NH2+][C@@H]1CCN(C(=O)C[C@@H]([NH3+])c2cc(C)nc(Cl)c2)C1 ZINC000832250252 774123456 /nfs/dbraw/zinc/12/34/56/774123456.db2.gz NNYCVFBHWYNUCN-VXGBXAGGSA-N 2 0 296.802 1.254 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(CC(C)(C)O)C2)CN1C1CC1 ZINC000865658822 774277497 /nfs/dbraw/zinc/27/74/97/774277497.db2.gz ACETYBJKGKZOCM-HZSPNIEDSA-N 2 0 281.444 1.046 10 0 CDAERP C[NH+]1CCC(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000094370851 774304614 /nfs/dbraw/zinc/30/46/14/774304614.db2.gz AMNPLRHLAGVLQW-GJZGRUSLSA-N 2 0 268.401 1.256 10 0 CDAERP C[NH+](C)C[C@H]1CCCCN1C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713423662 774342230 /nfs/dbraw/zinc/34/22/30/774342230.db2.gz HWDKLZJVSFCSQB-COMQUAJESA-N 2 0 265.401 1.057 10 0 CDAERP O=C(C1CC[NH+](C2CC2)CC1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000868034619 774453859 /nfs/dbraw/zinc/45/38/59/774453859.db2.gz GOAVSZLASYYONV-HOCLYGCPSA-N 2 0 291.439 1.461 10 0 CDAERP COC(=O)[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000931547126 774459147 /nfs/dbraw/zinc/45/91/47/774459147.db2.gz CAXCABWVAKZRTK-QXSJWSMHSA-N 2 0 294.439 1.992 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+]Cc1nc2c(s1)COCC2 ZINC000925881838 774564537 /nfs/dbraw/zinc/56/45/37/774564537.db2.gz VOWXKBLQIDCXTC-JTQLQIEISA-N 2 0 269.414 1.823 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCc2nnc3ccccn32)CC1(C)C ZINC000858088742 774736549 /nfs/dbraw/zinc/73/65/49/774736549.db2.gz QDMPQHCBJNRJSI-ZDUSSCGKSA-N 2 0 287.411 1.734 10 0 CDAERP c1ccc2c(c1)CC[NH2+][C@@H]2CNCC12CC(C1)C[NH2+]2 ZINC000873212983 774765971 /nfs/dbraw/zinc/76/59/71/774765971.db2.gz SWBLFTZPGXFAFK-DSSZZKGTSA-N 2 0 257.381 1.215 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCCCCN2CC[NH2+]CC2)C1 ZINC000925844085 774826515 /nfs/dbraw/zinc/82/65/15/774826515.db2.gz VNKUYAKJELDLCZ-JKSUJKDBSA-N 3 0 296.503 1.558 10 0 CDAERP C[C@H]1CCCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)[C@H]1CC[NH3+] ZINC000872302699 774840057 /nfs/dbraw/zinc/84/00/57/774840057.db2.gz JCDOXKZVGDFNCV-KBRXKUPHSA-N 2 0 265.401 1.090 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000868379994 774847073 /nfs/dbraw/zinc/84/70/73/774847073.db2.gz HUUVCNFAEUGZAB-GJZGRUSLSA-N 2 0 296.459 1.454 10 0 CDAERP CC[C@@H]1C[N@H+](CCc2ccc(C(N)=O)cc2)CC[C@@H]1[NH3+] ZINC000866663972 774850219 /nfs/dbraw/zinc/85/02/19/774850219.db2.gz QEOLLYUXIQZTSM-HIFRSBDPSA-N 2 0 275.396 1.387 10 0 CDAERP CCCn1cc([C@H](C)[NH2+]CCCC[NH+](C)C)nn1 ZINC000715892686 774863198 /nfs/dbraw/zinc/86/31/98/774863198.db2.gz NMKMOFJEVKZEHN-LBPRGKRZSA-N 2 0 253.394 1.681 10 0 CDAERP C[N@@H+]1CCN(C(=O)[C@@H]([NH3+])CC2CC2)CCC1(C)C ZINC000712674452 774864258 /nfs/dbraw/zinc/86/42/58/774864258.db2.gz SOLPHIGHLUNBSH-LBPRGKRZSA-N 2 0 253.390 1.057 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H](CC(N)=O)C2CCOCC2)CC1(C)C ZINC000858154664 774865234 /nfs/dbraw/zinc/86/52/34/774865234.db2.gz OLNGODRITDDXRX-KBPBESRZSA-N 2 0 297.443 1.119 10 0 CDAERP C[C@H](C[C@H]1COCCN1)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000925861851 774867771 /nfs/dbraw/zinc/86/77/71/774867771.db2.gz ULSHGBGBDJLXML-GYXIZQIFSA-N 2 0 295.471 1.750 10 0 CDAERP COC[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)C1CC1 ZINC000925846928 774882888 /nfs/dbraw/zinc/88/28/88/774882888.db2.gz YJKHDSAOXHKPBH-HNNXBMFYSA-N 2 0 269.433 1.077 10 0 CDAERP C[NH+](C)C[C@@](C)(O)C[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000227975962 775012670 /nfs/dbraw/zinc/01/26/70/775012670.db2.gz WFPIGWMGYMVRGS-KGLIPLIRSA-N 2 0 270.417 1.380 10 0 CDAERP CN(C[C@H](O)C[NH2+]C[C@@H]1CCC2(CCC2)O1)C1CC1 ZINC000711470984 775055120 /nfs/dbraw/zinc/05/51/20/775055120.db2.gz FDSYEFVZCUCYKO-KGLIPLIRSA-N 2 0 268.401 1.133 10 0 CDAERP CCO[C@H](CN[C@H]1C[C@@H]([NH3+])c2ccccc21)C[NH+](C)C ZINC000925841697 775062375 /nfs/dbraw/zinc/06/23/75/775062375.db2.gz RYPXBLUOJUDROM-WQVCFCJDSA-N 2 0 277.412 1.688 10 0 CDAERP C[C@@H]1CCOCC[NH+]1C/C=C\C[N@H+]1CCOCC[C@H]1C ZINC000775569879 775083341 /nfs/dbraw/zinc/08/33/41/775083341.db2.gz GKEHOOKVDMWZFQ-JGPFYOFESA-N 2 0 282.428 1.764 10 0 CDAERP CCn1nc(C)c(C[N@H+](C)C[C@H]2CC3(C[NH2+]C3)CO2)c1C ZINC000923414016 775092114 /nfs/dbraw/zinc/09/21/14/775092114.db2.gz YLCAFDDQGKNJJR-CQSZACIVSA-N 2 0 292.427 1.330 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H](N3CCCC3)C2)C1 ZINC000382629102 775125045 /nfs/dbraw/zinc/12/50/45/775125045.db2.gz JVFLZZASBHQAHW-RRFJBIMHSA-N 2 0 251.418 1.674 10 0 CDAERP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cn1 ZINC000925775880 775254074 /nfs/dbraw/zinc/25/40/74/775254074.db2.gz HWOMMVBDCATGSI-YPMHNXCESA-N 2 0 299.365 1.856 10 0 CDAERP C[C@H](C(=O)N[C@@H]1CCCC[C@@H]1C)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923503693 775276803 /nfs/dbraw/zinc/27/68/03/775276803.db2.gz LAWMZNJQJKATSG-CQJMVSDSSA-N 2 0 295.471 1.987 10 0 CDAERP CSC[C@H]1CCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923387736 775300582 /nfs/dbraw/zinc/30/05/82/775300582.db2.gz LAYZGXQDDBDGAG-NEPJUHHUSA-N 2 0 256.415 1.192 10 0 CDAERP C[C@@H]1C[C@@H]1NC(=[NH2+])NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000864464865 775321287 /nfs/dbraw/zinc/32/12/87/775321287.db2.gz JXVOAZCFVOENDD-GRYCIOLGSA-N 2 0 252.406 1.629 10 0 CDAERP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000870991311 775324445 /nfs/dbraw/zinc/32/44/45/775324445.db2.gz DLFBLRYHNFHERF-MJVIPROJSA-N 2 0 255.406 1.193 10 0 CDAERP C[N@@H+]1CCN(C(=O)[C@H]2CC[C@H]([NH3+])CC2)CCC1(C)C ZINC000712617849 775330162 /nfs/dbraw/zinc/33/01/62/775330162.db2.gz PMRDVGGBXFMVDR-JOCQHMNTSA-N 2 0 267.417 1.447 10 0 CDAERP Cn1nc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1Cl ZINC000863544007 775351122 /nfs/dbraw/zinc/35/11/22/775351122.db2.gz IIKOTXYYZURZCM-UHFFFAOYSA-N 2 0 268.792 1.649 10 0 CDAERP C[C@@H]1COC[C@H]1[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000925158291 775397688 /nfs/dbraw/zinc/39/76/88/775397688.db2.gz YRRYWDNDBXBREM-HZPDHXFCSA-N 2 0 295.471 1.561 10 0 CDAERP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2[nH]c(C)nc2C)C1 ZINC000929770269 775457087 /nfs/dbraw/zinc/45/70/87/775457087.db2.gz DQMANWDWLXJBTB-HNNXBMFYSA-N 2 0 294.443 1.959 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cccnc1-n1ccnc1 ZINC000817900725 775475524 /nfs/dbraw/zinc/47/55/24/775475524.db2.gz VJPHIFVCMMXUPH-GXTWGEPZSA-N 2 0 271.368 1.484 10 0 CDAERP CC[C@H](C[C@H](C)O)[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000866634747 775488039 /nfs/dbraw/zinc/48/80/39/775488039.db2.gz UHCSAJQTPYXESR-LZWOXQAQSA-N 2 0 284.444 1.769 10 0 CDAERP COc1c[nH+]ccc1N1CCN(CC[NH+]2CCCC2)CC1 ZINC000796566905 775574506 /nfs/dbraw/zinc/57/45/06/775574506.db2.gz IKRVRYSFHJZWDQ-UHFFFAOYSA-N 2 0 290.411 1.308 10 0 CDAERP CCCC[N@H+](C)CC1CC[NH+](C[C@H](O)C2(O)CCC2)CC1 ZINC000929295322 775598245 /nfs/dbraw/zinc/59/82/45/775598245.db2.gz GAZDSPFBRJRCRV-INIZCTEOSA-N 2 0 298.471 1.706 10 0 CDAERP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1CCC[C@H]1C1CCC1 ZINC000923311934 775621314 /nfs/dbraw/zinc/62/13/14/775621314.db2.gz BRTLRTJMGHAJAW-KBPBESRZSA-N 2 0 250.386 1.629 10 0 CDAERP COc1ccccc1CC[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923311009 775661734 /nfs/dbraw/zinc/66/17/34/775661734.db2.gz DLXYAYBDAJWVPE-OAHLLOKOSA-N 2 0 290.407 1.548 10 0 CDAERP CC[C@H]1CCCC[C@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925810868 775753344 /nfs/dbraw/zinc/75/33/44/775753344.db2.gz GTTIMVSNMIRWEC-DZGCQCFKSA-N 2 0 253.434 1.968 10 0 CDAERP C[NH+](C)CCC[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCO1 ZINC000856429322 775809112 /nfs/dbraw/zinc/80/91/12/775809112.db2.gz JCQLJRFQLPCDKL-AWEZNQCLSA-N 2 0 297.443 1.040 10 0 CDAERP CCO[C@@H](CC[NH+](C)C)CNC(=[NH2+])NCCC1CC1 ZINC000864460612 775910264 /nfs/dbraw/zinc/91/02/64/775910264.db2.gz YGEVCQCIWGISIW-ZDUSSCGKSA-N 2 0 270.421 1.257 10 0 CDAERP C[N@H+](CCOCC[NH3+])C[C@@H]1CCC2(CCC2)CO1 ZINC000716335976 775946967 /nfs/dbraw/zinc/94/69/67/775946967.db2.gz RRTCEOKCDLDJDF-ZDUSSCGKSA-N 2 0 256.390 1.243 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000847180690 776125501 /nfs/dbraw/zinc/12/55/01/776125501.db2.gz STYLCYRRYHIBEK-DVOMOZLQSA-N 2 0 299.434 1.655 10 0 CDAERP COc1cccc(CN2CCC[C@](O)(C[NH+](C)C)C2)c1C ZINC000930904976 776237497 /nfs/dbraw/zinc/23/74/97/776237497.db2.gz XNTMPLJHXDNLQD-KRWDZBQOSA-N 2 0 292.423 1.892 10 0 CDAERP CC(C)(CN[C@H]1C[C@@H]([NH3+])C12CCC2)C[NH+]1CCCC1 ZINC000925651022 776244359 /nfs/dbraw/zinc/24/43/59/776244359.db2.gz VAIVJGNAQZONKZ-KGLIPLIRSA-N 2 0 265.445 1.968 10 0 CDAERP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@@H]1CC[C@@H](C3CC3)O1)C2 ZINC000715395074 776340390 /nfs/dbraw/zinc/34/03/90/776340390.db2.gz PPZKFNYOZILROW-ZQDZILKHSA-N 2 0 250.386 1.485 10 0 CDAERP CC[C@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CCOC ZINC000849001834 776354832 /nfs/dbraw/zinc/35/48/32/776354832.db2.gz ISVUJNJCLHRIBX-RYUDHWBXSA-N 2 0 256.394 1.010 10 0 CDAERP C[C@@H]([NH2+]CCOCC[NH+](C)C)C1CC(F)(F)C1 ZINC000926254145 776480534 /nfs/dbraw/zinc/48/05/34/776480534.db2.gz KSKNFJWFHUXTLG-SNVBAGLBSA-N 2 0 250.333 1.588 10 0 CDAERP CC(C)[C@@H]1COCC[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000926255776 776487605 /nfs/dbraw/zinc/48/76/05/776487605.db2.gz UAVMXJXGAJYBGD-KBPBESRZSA-N 2 0 258.406 1.215 10 0 CDAERP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cccnc1-n1ccnc1 ZINC000817898527 776869555 /nfs/dbraw/zinc/86/95/55/776869555.db2.gz HXAUZFAWHQACRC-VXGBXAGGSA-N 2 0 259.357 1.483 10 0 CDAERP C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925846016 776872905 /nfs/dbraw/zinc/87/29/05/776872905.db2.gz MYFXEYXXNIOEOD-CAOSSQGBSA-N 2 0 263.429 1.735 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@@H](O)COCC2CC2)C1 ZINC000925616773 776891168 /nfs/dbraw/zinc/89/11/68/776891168.db2.gz NVQWUJWXYURPMD-MGPQQGTHSA-N 2 0 270.417 1.270 10 0 CDAERP C[C@@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1)[C@H]1CC[NH2+]C1 ZINC000400500970 776917759 /nfs/dbraw/zinc/91/77/59/776917759.db2.gz IMDSCWNWZQIHLE-UMNHJUIQSA-N 2 0 274.368 1.917 10 0 CDAERP C[C@H](Cc1cnn(C)c1)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925694924 776920013 /nfs/dbraw/zinc/92/00/13/776920013.db2.gz VCQSLJBFTOQMFM-KWCYVHTRSA-N 2 0 264.417 1.847 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ncc(C3OCCO3)s2)C1 ZINC000848561760 776933220 /nfs/dbraw/zinc/93/32/20/776933220.db2.gz BOVCEGBYSRGHSY-PHIMTYICSA-N 2 0 297.424 1.618 10 0 CDAERP C[N@@H+]1CC[C@@H]2C[NH+](CCCNC(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000931439634 776988197 /nfs/dbraw/zinc/98/81/97/776988197.db2.gz WXAQKZOBLSWBBI-KGLIPLIRSA-N 2 0 297.443 1.785 10 0 CDAERP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000854229054 776988970 /nfs/dbraw/zinc/98/89/70/776988970.db2.gz HDRDADXQNKAVPE-XQHKEYJVSA-N 2 0 274.355 1.908 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2C[C@@H]3COC[C@@H]3O2)[C@@H](C)C1 ZINC000929999593 776992504 /nfs/dbraw/zinc/99/25/04/776992504.db2.gz JYQVQTLPFMFHAR-QRJUGERDSA-N 2 0 282.428 1.452 10 0 CDAERP Nc1ccc2c(c1)OCCN(CCC[NH2+]C1CC1)C2 ZINC000923414262 777093460 /nfs/dbraw/zinc/09/34/60/777093460.db2.gz BDNIHKPMYCQPJI-UHFFFAOYSA-N 2 0 261.369 1.605 10 0 CDAERP C[C@@H]1CC2(CN1C(=O)C=C1CC[NH2+]CC1)CC[NH2+]CC2 ZINC000852892984 777176804 /nfs/dbraw/zinc/17/68/04/777176804.db2.gz KNMHNMMCRGFMMK-CYBMUJFWSA-N 2 0 277.412 1.287 10 0 CDAERP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)CCC23CC(C2)C[NH2+]3)C1 ZINC000870936826 777218585 /nfs/dbraw/zinc/21/85/85/777218585.db2.gz QFLSDQKBFAEPKY-KLNSDEMFSA-N 2 0 265.401 1.104 10 0 CDAERP CC[C@H]1CCN(C(=[NH2+])NCC[C@H]2CCC[N@H+](C)C2)C1 ZINC000864467551 777234659 /nfs/dbraw/zinc/23/46/59/777234659.db2.gz ZADXIZDXAGMLJI-UONOGXRCSA-N 2 0 266.433 1.975 10 0 CDAERP CC[C@@H]1CCN(C(=[NH2+])NCCC[NH+](CC)CC)C1 ZINC000864452701 777257560 /nfs/dbraw/zinc/25/75/60/777257560.db2.gz RPVVUKXDWLDLIA-CYBMUJFWSA-N 2 0 254.422 1.975 10 0 CDAERP [NH3+]CCCCCC(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000843513703 777277835 /nfs/dbraw/zinc/27/78/35/777277835.db2.gz AIHFNYSFMHTCNH-GFCCVEGCSA-N 2 0 253.390 1.296 10 0 CDAERP CCC[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C[C@@H]1CCCCO1 ZINC000923311420 777397688 /nfs/dbraw/zinc/39/76/88/777397688.db2.gz LRNIJSLXCQXYLN-LSDHHAIUSA-N 2 0 282.428 1.646 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+][C@@H](C2CCC2)[C@H]2CCCO2)CC1 ZINC000866269153 777412995 /nfs/dbraw/zinc/41/29/95/777412995.db2.gz BPVXYBJXWFGVEW-CABCVRRESA-N 2 0 282.428 1.380 10 0 CDAERP COC[C@H](C[N@@H+]1C[C@@H](OC)C[C@@]1(C)C[NH3+])C(C)C ZINC000721912904 777579215 /nfs/dbraw/zinc/57/92/15/777579215.db2.gz FGTHLOLGPBSHGL-IHRRRGAJSA-N 2 0 258.406 1.343 10 0 CDAERP CON1CC[C@H]([NH+]2CCC(CCC[NH+](C)C)CC2)C1=O ZINC000930145522 777622123 /nfs/dbraw/zinc/62/21/23/777622123.db2.gz JNCJREGFBAJPGC-AWEZNQCLSA-N 2 0 283.416 1.203 10 0 CDAERP Cc1cc([C@@H]([NH3+])CC(=O)NC[C@H]2C[C@H]([NH3+])C2)cc(Cl)n1 ZINC000870971602 777688511 /nfs/dbraw/zinc/68/85/11/777688511.db2.gz FOAZXZPVVNNYSQ-DLOVCJGASA-N 2 0 296.802 1.287 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870956979 777723849 /nfs/dbraw/zinc/72/38/49/777723849.db2.gz RVYCOUVLBYQZRP-MBHSVXNSSA-N 2 0 253.390 1.008 10 0 CDAERP CC[NH+](CC)C[C@@H]1CCN(C(=O)C=C2CC[NH2+]CC2)C1 ZINC000852869294 777732677 /nfs/dbraw/zinc/73/26/77/777732677.db2.gz BNFXCSFLEPKWGF-HNNXBMFYSA-N 2 0 279.428 1.487 10 0 CDAERP C[C@@H]1CC2(C[N@@H+]1CCO[C@@H]1CCOC1)CC[NH2+]CC2 ZINC000923384088 777789301 /nfs/dbraw/zinc/78/93/01/777789301.db2.gz SCHBUCGQZPXAQQ-ZIAGYGMSSA-N 2 0 268.401 1.256 10 0 CDAERP C[C@@H]1C[C@H]1NC(=[NH2+])NCCC[NH+]1CCC(C)CC1 ZINC000864450729 777789936 /nfs/dbraw/zinc/78/99/36/777789936.db2.gz SBAOQIVYIJNVEL-CHWSQXEVSA-N 2 0 252.406 1.631 10 0 CDAERP CN1CCC[NH+]=C1NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000849046902 777854820 /nfs/dbraw/zinc/85/48/20/777854820.db2.gz YOPMSIPCYXBKGB-CVEARBPZSA-N 2 0 286.423 1.613 10 0 CDAERP FC(F)(F)[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[NH2+]CC2)O1 ZINC000722392651 777872361 /nfs/dbraw/zinc/87/23/61/777872361.db2.gz WHIRVCXKQKIGHK-MXWKQRLJSA-N 2 0 266.307 1.828 10 0 CDAERP C[N@H+](CCCCCCC[NH3+])CC(=O)NC(C)(C)C ZINC000842471417 777931444 /nfs/dbraw/zinc/93/14/44/777931444.db2.gz AESZMKBBOSBWDT-UHFFFAOYSA-N 2 0 257.422 1.742 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)NCC2CCCCC2)CC[C@@H]1C[NH3+] ZINC000923505550 777941377 /nfs/dbraw/zinc/94/13/77/777941377.db2.gz AWVPULTWOFNIFP-UKRRQHHQSA-N 2 0 281.444 1.600 10 0 CDAERP C[C@@H](C(=O)N1CCC([NH+](C)C)CC1)[C@H]([NH3+])c1ccccc1 ZINC000130174515 778019050 /nfs/dbraw/zinc/01/90/50/778019050.db2.gz JQTNTGVFRSAICA-CJNGLKHVSA-N 2 0 289.423 1.875 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000713044522 778057011 /nfs/dbraw/zinc/05/70/11/778057011.db2.gz QNJKVUXWINCVQM-NEPJUHHUSA-N 2 0 255.406 1.206 10 0 CDAERP CCC(C)(C)NC(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261590275 778095081 /nfs/dbraw/zinc/09/50/81/778095081.db2.gz LGDOJKMFWDUSBL-UHFFFAOYSA-N 2 0 267.417 1.367 10 0 CDAERP NC(=O)C12CCC(CC1)[N@@H+]2Cc1cccc2c1CC[NH2+]C2 ZINC000923529267 778175121 /nfs/dbraw/zinc/17/51/21/778175121.db2.gz ASLLXIAJTQDZAR-UHFFFAOYSA-N 2 0 285.391 1.315 10 0 CDAERP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)[C@H](O)c1ccccc1 ZINC000925668437 778238992 /nfs/dbraw/zinc/23/89/92/778238992.db2.gz HFBVVFXDNBNENQ-MYPMTAMASA-N 2 0 260.381 1.968 10 0 CDAERP C[NH+]1CCC(C[NH2+]CC[C@H](O)C(F)(F)F)CC1 ZINC000717394983 778314523 /nfs/dbraw/zinc/31/45/23/778314523.db2.gz NVJAPHZYMXDTIM-JTQLQIEISA-N 2 0 254.296 1.231 10 0 CDAERP [NH3+]CCC[C@@H]([NH2+]CC[C@@H]1CNC(=O)C1)c1ccccc1 ZINC000925839576 778344680 /nfs/dbraw/zinc/34/46/80/778344680.db2.gz RLARFMCFUSIMAN-DZGCQCFKSA-N 2 0 275.396 1.582 10 0 CDAERP Cc1ccc(C[NH+](C)C)cc1NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852869649 778370860 /nfs/dbraw/zinc/37/08/60/778370860.db2.gz JJKISCPIMNIQCZ-GFCCVEGCSA-N 2 0 290.367 1.099 10 0 CDAERP C[C@@H](NC[C@]1(O)CC[N@H+](C)C1)c1cc(O)cc(F)c1 ZINC000926171908 778408628 /nfs/dbraw/zinc/40/86/28/778408628.db2.gz BABBCXAKNLFEHU-QMTHXVAHSA-N 2 0 268.332 1.249 10 0 CDAERP CCCCOC(=O)CC[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923454045 778460224 /nfs/dbraw/zinc/46/02/24/778460224.db2.gz ZTTZOSAXNTURKD-CQSZACIVSA-N 2 0 298.427 1.550 10 0 CDAERP C[NH+](C)C[C@H](Cc1ccccc1)N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925484783 778649030 /nfs/dbraw/zinc/64/90/30/778649030.db2.gz IGRCCMJYIWSLJZ-XNIJUTNWSA-N 2 0 299.462 1.745 10 0 CDAERP C[NH+](C)C1(C)CCC([NH2+]C2CCN(C=O)CC2)CC1 ZINC000866518439 778712655 /nfs/dbraw/zinc/71/26/55/778712655.db2.gz ZYWBJHOJSOJVSI-UHFFFAOYSA-N 2 0 267.417 1.460 10 0 CDAERP CC[C@H]1CCN(C(=[NH2+])NCCC[N@H+](C)CCOC)C1 ZINC000864453967 778733420 /nfs/dbraw/zinc/73/34/20/778733420.db2.gz FQLRSFNNCRWYRU-ZDUSSCGKSA-N 2 0 270.421 1.211 10 0 CDAERP C[C@@H]1CC[C@H](C[NH3+])N(CCO[C@@H]2CCOC2)[C@H]1C ZINC000724949249 778739482 /nfs/dbraw/zinc/73/94/82/778739482.db2.gz PRGSYPRDXBCJDV-XJFOESAGSA-N 2 0 256.390 1.240 10 0 CDAERP CC(C)CC[NH+]1CCC([NH2+]CC[C@@]2(O)CCOC2)CC1 ZINC000926646400 778764969 /nfs/dbraw/zinc/76/49/69/778764969.db2.gz MKMLWJAPFDBWNN-MRXNPFEDSA-N 2 0 284.444 1.628 10 0 CDAERP Cc1csc([C@@H]2CC[N@H+](C[C@H]3CC[NH2+]C3)C2)n1 ZINC000872147347 778826078 /nfs/dbraw/zinc/82/60/78/778826078.db2.gz HXHXAYSOEDACBJ-NWDGAFQWSA-N 2 0 251.399 1.850 10 0 CDAERP CSC(C)(C)C(=O)NCCN(C)CCC[NH+](C)C ZINC000855414690 778844198 /nfs/dbraw/zinc/84/41/98/778844198.db2.gz JNVBJZBLZQWUAH-UHFFFAOYSA-N 2 0 275.462 1.128 10 0 CDAERP C[N@@H+]1CC[C@@H]1CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000925406996 778888840 /nfs/dbraw/zinc/88/88/40/778888840.db2.gz JJHRRCMCEIEBPV-HUUCEWRRSA-N 2 0 294.443 1.350 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH2+]CC2(C)C)C1 ZINC000711282476 778978321 /nfs/dbraw/zinc/97/83/21/778978321.db2.gz OKQWYBQNANWEAC-QWHCGFSZSA-N 2 0 267.417 1.079 10 0 CDAERP C[C@@H]1C[N@@H+]([C@H](C(=O)N(C)C)c2ccccc2)CC[C@H]1C[NH3+] ZINC000923498261 778979696 /nfs/dbraw/zinc/97/96/96/778979696.db2.gz GVXUPMHYMTXXHA-KBMXLJTQSA-N 2 0 289.423 1.733 10 0 CDAERP CC/C(C)=C/C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870017244 778984668 /nfs/dbraw/zinc/98/46/68/778984668.db2.gz KACSFHRFHHYXRG-ISJXMTRFSA-N 2 0 281.444 1.541 10 0 CDAERP C[C@@H]1C[N@H+](Cc2c(Cl)cnn2C)C[C@H]1CC[NH3+] ZINC000723911885 779003933 /nfs/dbraw/zinc/00/39/33/779003933.db2.gz GNPNQUZTZYHZFX-NXEZZACHSA-N 2 0 256.781 1.490 10 0 CDAERP COC[C@H](C[NH+]1CCC(N2CC[NH+](C)CC2)CC1)C(C)C ZINC000931548140 779011878 /nfs/dbraw/zinc/01/18/78/779011878.db2.gz GLNATJOFVWFOJO-INIZCTEOSA-N 2 0 297.487 1.617 10 0 CDAERP COc1ccccc1[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000817894008 779089959 /nfs/dbraw/zinc/08/99/59/779089959.db2.gz WGPCDVPWSIWUNB-MRVWCRGKSA-N 2 0 264.369 1.446 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C1(F)CC1 ZINC000843782706 779180453 /nfs/dbraw/zinc/18/04/53/779180453.db2.gz RIDIFAGABIJRQX-ZDUSSCGKSA-N 2 0 285.407 1.363 10 0 CDAERP [NH3+]CCC[C@H]([NH2+]CC[C@H]1CNC(=O)C1)c1ccccc1 ZINC000925839577 779213774 /nfs/dbraw/zinc/21/37/74/779213774.db2.gz RLARFMCFUSIMAN-HIFRSBDPSA-N 2 0 275.396 1.582 10 0 CDAERP [NH3+]CCC[N@@H+](Cc1ccccc1)C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000724594509 779229256 /nfs/dbraw/zinc/22/92/56/779229256.db2.gz OPVIUEYTOOJDHL-YESZJQIVSA-N 2 0 290.407 1.641 10 0 CDAERP CC[C@H](C[C@](C)(O)CC)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000924755367 779230508 /nfs/dbraw/zinc/23/05/08/779230508.db2.gz IOUFEALIPJKITR-QLFBSQMISA-N 2 0 272.433 1.362 10 0 CDAERP CC(C)(C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)C(=O)N1CCCC1 ZINC000925716306 779252359 /nfs/dbraw/zinc/25/23/59/779252359.db2.gz CUDMXMCUCIPQCU-QWHCGFSZSA-N 2 0 279.428 1.495 10 0 CDAERP C[C@H]1NCCC[C@H]1[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000925655396 779318801 /nfs/dbraw/zinc/31/88/01/779318801.db2.gz UQZVNLLEXWYHEI-CHWSQXEVSA-N 2 0 252.402 1.659 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+][C@H]2CCOC[C@H]2C(C)C)CC1 ZINC000924662319 779350068 /nfs/dbraw/zinc/35/00/68/779350068.db2.gz QOFXHBRSWAEYQZ-IRXDYDNUSA-N 2 0 297.487 1.665 10 0 CDAERP Cn1cnc(CC[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)c1 ZINC000925693147 779360500 /nfs/dbraw/zinc/36/05/00/779360500.db2.gz LQTUKZAMULZWBI-AAEUAGOBSA-N 2 0 250.390 1.458 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)C1 ZINC000925714260 779450262 /nfs/dbraw/zinc/45/02/62/779450262.db2.gz OTXWZPAZYYCEFI-NQBHXWOUSA-N 2 0 281.400 1.465 10 0 CDAERP [NH3+]CCCCCC[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872148803 779543960 /nfs/dbraw/zinc/54/39/60/779543960.db2.gz HKFUNLSFLXMOJC-QWRGUYRKSA-N 3 0 267.339 1.575 10 0 CDAERP COC[C@H](O)C[N@@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000923420086 779729371 /nfs/dbraw/zinc/72/93/71/779729371.db2.gz FQCJDXIIUDHFAF-IMJJTQAJSA-N 2 0 284.444 1.613 10 0 CDAERP CC(C)OCC[C@@H](O)C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000923415180 779729760 /nfs/dbraw/zinc/72/97/60/779729760.db2.gz OYZZHIXWLFCLJV-GDBMZVCRSA-N 2 0 286.460 1.859 10 0 CDAERP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCc1ccc(C(N)=O)cc1 ZINC000866665331 779812756 /nfs/dbraw/zinc/81/27/56/779812756.db2.gz BTFOICQARHSPPU-AWEZNQCLSA-N 2 0 275.396 1.306 10 0 CDAERP CN1Cc2ccccc2[C@@H]1CNC(=O)NCCC[NH+](C)C ZINC000867980994 779816928 /nfs/dbraw/zinc/81/69/28/779816928.db2.gz DWMCJNLROXQHBP-HNNXBMFYSA-N 2 0 290.411 1.424 10 0 CDAERP C[C@H]([NH3+])C1CC[NH+](CCc2ccc(C(N)=O)cc2)CC1 ZINC000866659184 779828620 /nfs/dbraw/zinc/82/86/20/779828620.db2.gz IHXHSGOYARPTKP-LBPRGKRZSA-N 2 0 275.396 1.387 10 0 CDAERP C[N@@H+]1CC[C@H](NC[C@@H]2C[NH2+]CCC2(F)F)[C@H]2CCC[C@@H]21 ZINC000925777496 779831574 /nfs/dbraw/zinc/83/15/74/779831574.db2.gz PGTJJGJSXHNHCB-CRWXNKLISA-N 2 0 287.398 1.694 10 0 CDAERP CC(C)OCCC[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720809686 779860241 /nfs/dbraw/zinc/86/02/41/779860241.db2.gz HDIGWFKHDCARMH-WDEREUQCSA-N 2 0 268.323 1.871 10 0 CDAERP C[C@@H]1CCC[N@@H+]1CCN[C@H]1CC[NH2+]C12CCCC2 ZINC000925624373 779889207 /nfs/dbraw/zinc/88/92/07/779889207.db2.gz WNZLVTPHJFKJFB-KGLIPLIRSA-N 2 0 251.418 1.735 10 0 CDAERP C[C@@H](c1ccccn1)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923449914 779893137 /nfs/dbraw/zinc/89/31/37/779893137.db2.gz DOUCZOIOOMVGST-UONOGXRCSA-N 2 0 275.396 1.972 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C3CC3)CC2)CC[N@@H+]1C ZINC000928442976 779928635 /nfs/dbraw/zinc/92/86/35/779928635.db2.gz RUEXFCRQPUUGLE-RISCZKNCSA-N 2 0 265.401 1.070 10 0 CDAERP C[C@@H]1OCC[C@H]1C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923442348 779932797 /nfs/dbraw/zinc/93/27/97/779932797.db2.gz BPJQTAZSDCJNGO-MELADBBJSA-N 2 0 268.401 1.241 10 0 CDAERP CC[N@H+](CCNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)C(C)C ZINC000861570535 779938639 /nfs/dbraw/zinc/93/86/39/779938639.db2.gz UVOSEOWFRMMMCZ-OLZOCXBDSA-N 2 0 270.421 1.156 10 0 CDAERP C[N@@H+]1CC[C@@H](NC[C@@](C)(O)c2ccco2)CC1(C)C ZINC000858145880 780121703 /nfs/dbraw/zinc/12/17/03/780121703.db2.gz IGOUGMOQNVTGKL-IUODEOHRSA-N 2 0 266.385 1.950 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCCC2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000353692694 1167335839 /nfs/dbraw/zinc/33/58/39/1167335839.db2.gz SJCDRKXOSSALNX-ZFWWWQNUSA-N 2 0 281.444 1.565 10 0 CDAERP COCC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001565938490 1168204475 /nfs/dbraw/zinc/20/44/75/1168204475.db2.gz JKYMADSCDWDTSX-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)N2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001647226008 1168465628 /nfs/dbraw/zinc/46/56/28/1168465628.db2.gz VXJXLASOHKMJOF-CQSZACIVSA-N 2 0 294.443 1.256 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CCN1C/C=C\Cl ZINC001483657087 912364342 /nfs/dbraw/zinc/36/43/42/912364342.db2.gz BRFBKYDQVDQRGR-PPXSGIFESA-N 2 0 299.846 1.804 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]CCCF)CC1 ZINC001567067460 1168544175 /nfs/dbraw/zinc/54/41/75/1168544175.db2.gz MIYHRHGAOGVGSW-ZDUSSCGKSA-N 2 0 287.423 1.561 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CC[C@H](C)F)C1 ZINC001567151862 1168598655 /nfs/dbraw/zinc/59/86/55/1168598655.db2.gz ULNIHCNXLOSVPP-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001483734842 913269765 /nfs/dbraw/zinc/26/97/65/913269765.db2.gz HFEBVCYKQNANML-CQSZACIVSA-N 2 0 279.428 1.367 10 0 CDAERP CCOCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001282389810 894140790 /nfs/dbraw/zinc/14/07/90/894140790.db2.gz ALRXLIJVUATTBW-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCC[C@H](C)O ZINC001266699867 895856762 /nfs/dbraw/zinc/85/67/62/895856762.db2.gz QXYFKHPUOMPZEB-GJZGRUSLSA-N 2 0 299.459 1.068 10 0 CDAERP CC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001267009707 896543750 /nfs/dbraw/zinc/54/37/50/896543750.db2.gz RKQJSOSTNQEULD-XTYCPRDBSA-N 2 0 293.455 1.873 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)CC[NH2+]CC1CC1)[NH+]1CCCCC1 ZINC001267117723 896839787 /nfs/dbraw/zinc/83/97/87/896839787.db2.gz VSDXNZCAEWJTDU-INIZCTEOSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001418472328 896966659 /nfs/dbraw/zinc/96/66/59/896966659.db2.gz ZEIYXWGSTIWXLX-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP Cc1cc(C[NH+](C)CCNC(=O)C[N@@H+](C)C(C)C)cs1 ZINC001418526873 897020899 /nfs/dbraw/zinc/02/08/99/897020899.db2.gz HQDBDUIGIXSZLD-UHFFFAOYSA-N 2 0 297.468 1.945 10 0 CDAERP CC(C)CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001418940949 897295299 /nfs/dbraw/zinc/29/52/99/897295299.db2.gz GBCCLOJBAMGGMT-HZPDHXFCSA-N 2 0 295.471 1.765 10 0 CDAERP CCCCC[N@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001267241742 897296480 /nfs/dbraw/zinc/29/64/80/897296480.db2.gz JHUQRACTXMZMFR-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP CN(CC[NH2+]C[C@H]1CCOC1)C(=O)C[N@H+](C)CC(C)(C)C ZINC001567561177 1168859110 /nfs/dbraw/zinc/85/91/10/1168859110.db2.gz CNYVYANWRSMMPB-CQSZACIVSA-N 2 0 299.459 1.049 10 0 CDAERP CCOCC[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001267436661 897902363 /nfs/dbraw/zinc/90/23/63/897902363.db2.gz NHPXQSUXIMWSGD-OAHLLOKOSA-N 2 0 299.459 1.334 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)CC[NH2+]C[C@H]1CCO[C@@H](C)C1 ZINC001267451808 897917526 /nfs/dbraw/zinc/91/75/26/897917526.db2.gz SMCAREACSIDNAN-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP CC[N@@H+]1CC[C@H](CCNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001267576773 898492498 /nfs/dbraw/zinc/49/24/98/898492498.db2.gz XVKBZIDBKZQSJH-KGLIPLIRSA-N 2 0 267.417 1.176 10 0 CDAERP CC[C@H](C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH]cn1 ZINC001481044042 898676101 /nfs/dbraw/zinc/67/61/01/898676101.db2.gz XQFDBEXHWHSCJF-DZGCQCFKSA-N 2 0 292.427 1.969 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001481125698 898943390 /nfs/dbraw/zinc/94/33/90/898943390.db2.gz FINSNGKBQHQFRL-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP COCC[N@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)C1CC1 ZINC001481200593 899143019 /nfs/dbraw/zinc/14/30/19/899143019.db2.gz PMXARZMPJDHEMS-ZIAGYGMSSA-N 2 0 297.443 1.086 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC=C(C)C)C1 ZINC001267732698 899429255 /nfs/dbraw/zinc/42/92/55/899429255.db2.gz LNKOYOXQWQJNNP-AWEZNQCLSA-N 2 0 267.417 1.485 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@](C)(C[NH2+]CCC1CC1)C1CC1 ZINC001267847791 899866011 /nfs/dbraw/zinc/86/60/11/899866011.db2.gz CAQUDFDFHKCQHP-NVXWUHKLSA-N 2 0 293.455 1.755 10 0 CDAERP Cc1nocc1C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268348306 901912751 /nfs/dbraw/zinc/91/27/51/901912751.db2.gz GLLUPCYSUPQYFH-SMDDNHRTSA-N 2 0 294.399 1.062 10 0 CDAERP CC(C)CC[NH2+]CC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001268398103 901993836 /nfs/dbraw/zinc/99/38/36/901993836.db2.gz VTXLCEDVBKQAQO-CQSZACIVSA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)CC[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001268576297 902632816 /nfs/dbraw/zinc/63/28/16/902632816.db2.gz UPOXZGUDHNMRER-ISZGNANSSA-N 2 0 267.417 1.389 10 0 CDAERP Cc1cccnc1C[NH2+]C/C=C\CNC(=O)CC[NH+](C)C ZINC001268586195 902684593 /nfs/dbraw/zinc/68/45/93/902684593.db2.gz DHHVGOBNADCTNF-PLNGDYQASA-N 2 0 290.411 1.104 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001268649481 902893104 /nfs/dbraw/zinc/89/31/04/902893104.db2.gz MDQDRFRWAZAOAR-CHWSQXEVSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001268670869 902934337 /nfs/dbraw/zinc/93/43/37/902934337.db2.gz MCXUZLJZQRCUAT-HIFRSBDPSA-N 2 0 267.417 1.223 10 0 CDAERP CC/C=C\CC[NH2+]C[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001268704565 902988759 /nfs/dbraw/zinc/98/87/59/902988759.db2.gz IUVLQDBKJIZODF-LUNKNMTDSA-N 2 0 281.444 1.779 10 0 CDAERP C[C@@H](C[NH2+]CCCC1CCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001268711563 902997111 /nfs/dbraw/zinc/99/71/11/902997111.db2.gz LNMHQZKAAVDFQB-AWEZNQCLSA-N 2 0 293.455 1.757 10 0 CDAERP O=C(N[C@H](C[NH2+]C/C=C\Cl)C1CC1)C12CC[NH+](CC1)C2 ZINC001269134620 903462292 /nfs/dbraw/zinc/46/22/92/903462292.db2.gz BYXFSBDYCPTNTA-WVCAGCIPSA-N 2 0 297.830 1.319 10 0 CDAERP C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]C/C=C\Cl ZINC001485185643 916636653 /nfs/dbraw/zinc/63/66/53/916636653.db2.gz IANOFMOENMFGLE-CNNCQTGTSA-N 2 0 275.824 1.564 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001482283491 904571967 /nfs/dbraw/zinc/57/19/67/904571967.db2.gz NGKLZRSNMUXFHS-HOCLYGCPSA-N 2 0 293.455 1.731 10 0 CDAERP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+](CCCCCF)C1 ZINC001270624044 904831940 /nfs/dbraw/zinc/83/19/40/904831940.db2.gz MRHVFYMHVZQPIO-OAHLLOKOSA-N 2 0 287.423 1.659 10 0 CDAERP CCCC[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001482329383 905077781 /nfs/dbraw/zinc/07/77/81/905077781.db2.gz AYMWKGFPGKNBEH-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP CCOCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001270830227 905113965 /nfs/dbraw/zinc/11/39/65/905113965.db2.gz PPUCSRYXXWEYJA-GOEBONIOSA-N 2 0 299.459 1.191 10 0 CDAERP CC[NH2+][C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001482535596 906905542 /nfs/dbraw/zinc/90/55/42/906905542.db2.gz BHAMEFKFETZWED-UONOGXRCSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CCCF ZINC001271922994 906981020 /nfs/dbraw/zinc/98/10/20/906981020.db2.gz OVBHWWBYJIJDBS-KGLIPLIRSA-N 2 0 287.423 1.418 10 0 CDAERP Cc1cc(C[NH2+]CC[C@@H](C)NC(=O)CC[NH+](C)C)sn1 ZINC001272993377 921346131 /nfs/dbraw/zinc/34/61/31/921346131.db2.gz HUACTZMKDGBOCV-LLVKDONJSA-N 2 0 298.456 1.388 10 0 CDAERP CC(C)[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001482633646 908089002 /nfs/dbraw/zinc/08/90/02/908089002.db2.gz JIIKDPMFFBYKEY-GJZGRUSLSA-N 2 0 281.444 1.802 10 0 CDAERP CC(C)CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001482834563 908412599 /nfs/dbraw/zinc/41/25/99/908412599.db2.gz VXRAMYGASHGECL-GDBMZVCRSA-N 2 0 295.471 1.859 10 0 CDAERP C[C@@H](CC[NH2+]CCF)NC(=O)C12CCC[NH+]1CCC2 ZINC001482851628 908427559 /nfs/dbraw/zinc/42/75/59/908427559.db2.gz OOSDIJHIUQMSJU-LBPRGKRZSA-N 2 0 271.380 1.069 10 0 CDAERP CCC[NH2+]CC[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482892998 908470652 /nfs/dbraw/zinc/47/06/52/908470652.db2.gz ZILKOUCIZIMMHH-OLZOCXBDSA-N 2 0 255.406 1.223 10 0 CDAERP C[C@H](F)CC[NH2+]C/C=C\CNC(=O)C12CCC[NH+]1CCC2 ZINC001483029842 908734068 /nfs/dbraw/zinc/73/40/68/908734068.db2.gz BMNMSNYSWNDNAM-SFAKSCPVSA-N 2 0 297.418 1.625 10 0 CDAERP C([C@H]1CC2CCC1CC2)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000691680506 921435075 /nfs/dbraw/zinc/43/50/75/921435075.db2.gz WLLXMPSGBBSZKH-BHUNQDJPSA-N 2 0 277.456 1.792 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)[NH2+]C(C)C ZINC001567991137 1169110878 /nfs/dbraw/zinc/11/08/78/1169110878.db2.gz WQNGMSCPQASTGD-KBPBESRZSA-N 2 0 269.433 1.754 10 0 CDAERP C[C@@H](C[NH2+]Cc1cccc(F)c1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001483293331 910807764 /nfs/dbraw/zinc/80/77/64/910807764.db2.gz CQXULUCJYHDPOY-JSGCOSHPSA-N 2 0 293.386 1.372 10 0 CDAERP Cc1nc(C[NH2+]CCCN(C)C(=O)CC[NH+](C)C)cs1 ZINC001483489751 911189052 /nfs/dbraw/zinc/18/90/52/911189052.db2.gz KLVQMPIHCXZJQX-UHFFFAOYSA-N 2 0 298.456 1.341 10 0 CDAERP CN(C(=O)C[N@H+](C)CC(C)(C)C)C1C[NH+](CC2CCC2)C1 ZINC001483878950 915167849 /nfs/dbraw/zinc/16/78/49/915167849.db2.gz OZUPFGVGYJHTEA-UHFFFAOYSA-N 2 0 295.471 1.907 10 0 CDAERP CCCC[NH2+]CC[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001484537230 915865327 /nfs/dbraw/zinc/86/53/27/915865327.db2.gz WSIKPTNYIQWMIU-OAHLLOKOSA-N 2 0 295.471 1.957 10 0 CDAERP CCCC[NH2+]CC[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001484548390 915875789 /nfs/dbraw/zinc/87/57/89/915875789.db2.gz WZYQNLBPDMQPIO-OAHLLOKOSA-N 2 0 293.455 1.711 10 0 CDAERP CCC[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CCC1 ZINC001484638079 915989659 /nfs/dbraw/zinc/98/96/59/915989659.db2.gz CSGDVNOAFBNUSZ-CQSZACIVSA-N 2 0 281.444 1.899 10 0 CDAERP CC[N@H+](C)CCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001484742861 916108027 /nfs/dbraw/zinc/10/80/27/916108027.db2.gz QNFVGGQGDCFZEJ-AWEZNQCLSA-N 2 0 267.417 1.128 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCF ZINC001485036870 916416657 /nfs/dbraw/zinc/41/66/57/916416657.db2.gz GSTYGYMECLDDDQ-LSDHHAIUSA-N 2 0 299.434 1.799 10 0 CDAERP C[C@@H](F)CC[N@H+](C)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001485312375 916795623 /nfs/dbraw/zinc/79/56/23/916795623.db2.gz ICTGOVGZHSJOHJ-CHWSQXEVSA-N 2 0 287.423 1.655 10 0 CDAERP CCCC[C@H](C[NH2+]CC)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001485471533 917002410 /nfs/dbraw/zinc/00/24/10/917002410.db2.gz ISPWDDLVJBQXFP-CHWSQXEVSA-N 2 0 255.406 1.223 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCF ZINC001272938601 920530539 /nfs/dbraw/zinc/53/05/39/920530539.db2.gz NSRMOUKAPMFESV-CHWSQXEVSA-N 2 0 271.380 1.021 10 0 CDAERP CCN1CC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001140101797 936678840 /nfs/dbraw/zinc/67/88/40/936678840.db2.gz BWOBPCODJKCPQV-KBPBESRZSA-N 2 0 265.401 1.214 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]([NH2+]CCCCCF)C2)C1 ZINC001490946169 936834299 /nfs/dbraw/zinc/83/42/99/936834299.db2.gz OPEFRMPBLNMWQT-RBSFLKMASA-N 2 0 299.434 1.705 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001491079244 936851881 /nfs/dbraw/zinc/85/18/81/936851881.db2.gz IJFXLOWVONPNOZ-RWMBFGLXSA-N 2 0 271.380 1.067 10 0 CDAERP CC(C)Cc1noc(CN2CC[C@H](C[NH3+])[C@@H](C)C2)n1 ZINC000923502153 923882911 /nfs/dbraw/zinc/88/29/11/923882911.db2.gz XQIPQWZEZDYLDK-NWDGAFQWSA-N 2 0 266.389 1.685 10 0 CDAERP COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001410024222 923970964 /nfs/dbraw/zinc/97/09/64/923970964.db2.gz DDKBUDPTABPFBF-UONOGXRCSA-N 2 0 299.459 1.188 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)COC)CC1(C)C ZINC001410031878 924343961 /nfs/dbraw/zinc/34/39/61/924343961.db2.gz YECVTILPJREPFI-ZIAGYGMSSA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@H]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001410230638 925432825 /nfs/dbraw/zinc/43/28/25/925432825.db2.gz VZTMYZBRACLYBK-SYQHCUMBSA-N 2 0 287.423 1.559 10 0 CDAERP C[C@H](CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CCC1CC1 ZINC001410436649 925672480 /nfs/dbraw/zinc/67/24/80/925672480.db2.gz NPNWQPIKGCJLCY-UONOGXRCSA-N 2 0 281.444 1.565 10 0 CDAERP CCN(CC[NH2+]C/C=C/Cl)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001273298101 925758918 /nfs/dbraw/zinc/75/89/18/925758918.db2.gz IOCPXDBMZONASN-PZBABLGHSA-N 2 0 273.808 1.271 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]C/C=C/Cl ZINC001410521262 925869503 /nfs/dbraw/zinc/86/95/03/925869503.db2.gz USNPZRHQDJJWSG-SYTKJHMZSA-N 2 0 275.824 1.516 10 0 CDAERP CC[N@@H+]1CC[C@]2(NC(=O)CC[C@@H]3CCC[NH+]3C)CCC[C@H]12 ZINC001410896276 926742585 /nfs/dbraw/zinc/74/25/85/926742585.db2.gz KJZRWJABNAJTBD-YQQAZPJKSA-N 2 0 293.455 1.994 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2CCC[NH+](CC)[C@H]2C1(C)C ZINC001489088198 926805125 /nfs/dbraw/zinc/80/51/25/926805125.db2.gz UWZZSZIHMAELDM-FVQBIDKESA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001489333441 926873956 /nfs/dbraw/zinc/87/39/56/926873956.db2.gz OLOKLADRMXQRFM-CVEARBPZSA-N 2 0 295.471 1.907 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCCC[NH+](C)C[C@H]1CCCCO1 ZINC001490281405 927076066 /nfs/dbraw/zinc/07/60/66/927076066.db2.gz IQQNDDFWZZHARO-OAHLLOKOSA-N 2 0 299.459 1.334 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH+](CCC2CC2)C2CC2)C1 ZINC001490394140 927147099 /nfs/dbraw/zinc/14/70/99/927147099.db2.gz QRXDNLWRIUTFHO-OAHLLOKOSA-N 2 0 293.455 1.709 10 0 CDAERP CO[C@H](C)C[NH+]1CCC(N(C)C(=O)C[N@H+](C)C(C)C)CC1 ZINC001490425392 927173414 /nfs/dbraw/zinc/17/34/14/927173414.db2.gz SUBRQXMTNWOXQF-CQSZACIVSA-N 2 0 299.459 1.284 10 0 CDAERP CCOCC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001490580353 927239119 /nfs/dbraw/zinc/23/91/19/927239119.db2.gz WVOUIXAUIFEDRI-HNNXBMFYSA-N 2 0 297.443 1.089 10 0 CDAERP CC(C)C[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C(C)C ZINC001568470101 1169300437 /nfs/dbraw/zinc/30/04/37/1169300437.db2.gz HLMWZDCSBIQRRE-AWEZNQCLSA-N 2 0 269.433 1.469 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C[C@@H]2CCCC[NH2+]C2)C1 ZINC000696989056 937275702 /nfs/dbraw/zinc/27/57/02/937275702.db2.gz JKJNAQSYNLPHAJ-HUUCEWRRSA-N 2 0 253.434 1.792 10 0 CDAERP CC[NH+](CC)CCCCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001137167398 929876102 /nfs/dbraw/zinc/87/61/02/929876102.db2.gz GSDBXJNDNCJYJP-HNNXBMFYSA-N 2 0 299.459 1.193 10 0 CDAERP O=C(C[NH+]1CCCC1)NC/C=C\C[NH2+]Cc1cncs1 ZINC001274578491 931510992 /nfs/dbraw/zinc/51/09/92/931510992.db2.gz JBLLVDHGEQJCMK-UPHRSURJSA-N 2 0 294.424 1.001 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C[N@H+](C)CC(C)C)[NH+](C)C ZINC001275591753 931898604 /nfs/dbraw/zinc/89/86/04/931898604.db2.gz ARSYDIXNWRXMMM-CHWSQXEVSA-N 2 0 257.422 1.419 10 0 CDAERP CN(CC(C)(C)C[NH2+]CCF)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001275732128 931985186 /nfs/dbraw/zinc/98/51/86/931985186.db2.gz CKZQHSOWENMPRM-CYBMUJFWSA-N 2 0 287.423 1.372 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)CC[NH+]1CC[C@@H](F)C1 ZINC001411786860 932023731 /nfs/dbraw/zinc/02/37/31/932023731.db2.gz MYYIGIATMXYKEE-CYBMUJFWSA-N 2 0 273.396 1.268 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC[C@H]2CCC[N@H+](C)C2)C1 ZINC001412219161 932329093 /nfs/dbraw/zinc/32/90/93/932329093.db2.gz QQWAMZZNNNACSF-OWCLPIDISA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)CC[NH+](C)C)C[C@@H]1C ZINC001412578712 932516675 /nfs/dbraw/zinc/51/66/75/932516675.db2.gz NQQHBIDSRLNRST-KKUMJFAQSA-N 2 0 283.460 1.905 10 0 CDAERP COC(CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)OC ZINC000686609516 934178199 /nfs/dbraw/zinc/17/81/99/934178199.db2.gz NVRGRDJQJRBTBQ-CHWSQXEVSA-N 2 0 256.390 1.412 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCc3ccns3)C[C@@H]21 ZINC000719850767 934860831 /nfs/dbraw/zinc/86/08/31/934860831.db2.gz CZWDWVYXUZZUIU-KGYLQXTDSA-N 2 0 251.399 1.745 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001276590427 940392867 /nfs/dbraw/zinc/39/28/67/940392867.db2.gz XBTYFSPPONPZQU-BMFZPTHFSA-N 2 0 293.455 1.777 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001276910197 941690517 /nfs/dbraw/zinc/69/05/17/941690517.db2.gz WUIVOCVCAQICQR-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP O=C(C[NH+]1CCCC1)NCC1([NH2+]CCCC2CCC2)CC1 ZINC001277245422 942236138 /nfs/dbraw/zinc/23/61/38/942236138.db2.gz DYNPEPZLCKPTAK-UHFFFAOYSA-N 2 0 293.455 1.901 10 0 CDAERP O=C(NC1CC(C[NH2+]CCC2CC2)C1)C12CC[NH+](CC1)C2 ZINC001282065783 942653432 /nfs/dbraw/zinc/65/34/32/942653432.db2.gz ATNVIKCVQJKPDO-UHFFFAOYSA-N 2 0 291.439 1.367 10 0 CDAERP CCCC[NH2+][C@@H](C)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001282181393 942674037 /nfs/dbraw/zinc/67/40/37/942674037.db2.gz ACTGESGUKNNKRT-STQMWFEESA-N 2 0 269.433 1.611 10 0 CDAERP CC[NH2+]C1CCC(N(C)C(=O)C[N@H+](C)C(C)C)CC1 ZINC001282274333 942685625 /nfs/dbraw/zinc/68/56/25/942685625.db2.gz HXXHIPLGSASLIB-UHFFFAOYSA-N 2 0 269.433 1.706 10 0 CDAERP CC(C)(C(=O)N[C@@H]1CC[C@@H](C[NH2+]CCF)C1)[NH+]1CCCC1 ZINC001284196534 943107295 /nfs/dbraw/zinc/10/72/95/943107295.db2.gz MLVFIOJDFBTYES-ZIAGYGMSSA-N 2 0 299.434 1.705 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1)[NH2+]CCCF ZINC001277854387 943827703 /nfs/dbraw/zinc/82/77/03/943827703.db2.gz MFWSXJPWRGKOBB-QJPTWQEYSA-N 2 0 282.363 1.309 10 0 CDAERP CCC[NH2+]C[C@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC000722177597 943963215 /nfs/dbraw/zinc/96/32/15/943963215.db2.gz KEYIIDMLLYFVFJ-LBPRGKRZSA-N 2 0 255.406 1.175 10 0 CDAERP CCCC[NH2+][C@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001277920704 944043563 /nfs/dbraw/zinc/04/35/63/944043563.db2.gz AYHBSXFYKVIGBE-CYBMUJFWSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)=CC[NH+]1CCC2(C[C@@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001265332283 944349156 /nfs/dbraw/zinc/34/91/56/944349156.db2.gz RMJDCSXUAFKMKG-HNNXBMFYSA-N 2 0 293.455 1.875 10 0 CDAERP CC(C)OCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001265443209 944388871 /nfs/dbraw/zinc/38/88/71/944388871.db2.gz TWVZPPYHOYXNFF-GJZGRUSLSA-N 2 0 297.443 1.086 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001265635349 944452854 /nfs/dbraw/zinc/45/28/54/944452854.db2.gz VMOJLHAACQMLNF-HZPDHXFCSA-N 2 0 293.455 1.733 10 0 CDAERP CC(C)C[NH2+][C@H]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001266069557 944664523 /nfs/dbraw/zinc/66/45/23/944664523.db2.gz XKOVJUSQLOVXGL-KBPBESRZSA-N 2 0 269.433 1.611 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)CC1CC1 ZINC001266109107 944686941 /nfs/dbraw/zinc/68/69/41/944686941.db2.gz PTWQNJBAUIUFKA-AWEZNQCLSA-N 2 0 267.417 1.176 10 0 CDAERP CC(C)=CC[NH2+]C/C=C/CNC(=O)C12CCC[NH+]1CCC2 ZINC001568879635 1169528973 /nfs/dbraw/zinc/52/89/73/1169528973.db2.gz KKJDYZZWFHXKHR-ONEGZZNKSA-N 2 0 291.439 1.843 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCCF)[C@H]1C ZINC001278314214 945856519 /nfs/dbraw/zinc/85/65/19/945856519.db2.gz CFRVULUWDDDNCQ-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP CC[N@@H+]1CCC[C@H](CN[C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC001262202617 946516799 /nfs/dbraw/zinc/51/67/99/946516799.db2.gz YHPNIDGVQLIIRP-MGPQQGTHSA-N 2 0 251.418 1.578 10 0 CDAERP CN(C[C@@H]1CC[N@@H+]1CC1CCC1)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001479260140 971278502 /nfs/dbraw/zinc/27/85/02/971278502.db2.gz GOVHJSMVDMTXJR-CVEARBPZSA-N 2 0 293.455 1.661 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001479369454 971314593 /nfs/dbraw/zinc/31/45/93/971314593.db2.gz UEUMBPKNYVLELT-KLHDSHLOSA-N 2 0 295.471 1.857 10 0 CDAERP CC(C)C[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001479416737 971323575 /nfs/dbraw/zinc/32/35/75/971323575.db2.gz LWTVDJQVSMEHCG-VGWMRTNUSA-N 2 0 295.471 2.000 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]CCCF)CN1C(=O)C[N@H+](C)C1CCC1 ZINC001278379991 947356222 /nfs/dbraw/zinc/35/62/22/947356222.db2.gz WGMAQNHIBCKQIL-QWHCGFSZSA-N 2 0 285.407 1.409 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001479782175 971415212 /nfs/dbraw/zinc/41/52/12/971415212.db2.gz LWBZLSQXTMEHGM-CQSZACIVSA-N 2 0 299.434 1.801 10 0 CDAERP C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)CC1CCC1 ZINC001479812108 971433929 /nfs/dbraw/zinc/43/39/29/971433929.db2.gz GQEOOKCFIBNTHE-CQSZACIVSA-N 2 0 267.417 1.176 10 0 CDAERP CC[C@@H](F)C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001479866375 971462321 /nfs/dbraw/zinc/46/23/21/971462321.db2.gz MXHLPZUVJDPZDC-UKRRQHHQSA-N 2 0 299.434 1.799 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)C1CC1 ZINC001479870730 971464098 /nfs/dbraw/zinc/46/40/98/971464098.db2.gz MRELFCQDJDGQHW-HOTGVXAUSA-N 2 0 293.455 1.994 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)C1CC1 ZINC001479870729 971464535 /nfs/dbraw/zinc/46/45/35/971464535.db2.gz MRELFCQDJDGQHW-CVEARBPZSA-N 2 0 293.455 1.994 10 0 CDAERP CCN1CC[C@@H]1C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001362637018 971481058 /nfs/dbraw/zinc/48/10/58/971481058.db2.gz JDXUIUKWXWKZBO-OFQRWUPVSA-N 2 0 293.455 1.850 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C[NH2+]CCOC)C(C)(C)C)[NH+](C)C ZINC001279021755 948608161 /nfs/dbraw/zinc/60/81/61/948608161.db2.gz PDONKEKETAEJBO-OLZOCXBDSA-N 2 0 287.448 1.094 10 0 CDAERP C[C@H](C[NH2+]CCc1cccs1)NC(=O)C[NH+]1CCCC1 ZINC001569036676 1169606156 /nfs/dbraw/zinc/60/61/56/1169606156.db2.gz UKNVGKFSPNEVOD-CYBMUJFWSA-N 2 0 295.452 1.481 10 0 CDAERP CS[C@@H]1CN(C(=O)C2([NH+](C)C)CCCC2)C[C@@H]1[NH+](C)C ZINC001362779833 971612922 /nfs/dbraw/zinc/61/29/22/971612922.db2.gz TXUPFLQJKXDTFE-QWHCGFSZSA-N 2 0 299.484 1.365 10 0 CDAERP C[NH+](C)CC1(C(=O)N2CC[C@@](C)(C[NH2+]CCCF)C2)CC1 ZINC001278542280 949853746 /nfs/dbraw/zinc/85/37/46/949853746.db2.gz LBRSDFYDXONYRU-HNNXBMFYSA-N 2 0 299.434 1.516 10 0 CDAERP CCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001278572675 950215433 /nfs/dbraw/zinc/21/54/33/950215433.db2.gz QFCZZKJCRXIFQY-GDBMZVCRSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCCC[NH+]1CCCF ZINC001480330590 971673824 /nfs/dbraw/zinc/67/38/24/971673824.db2.gz HXHWCASFVAJCSP-AWEZNQCLSA-N 2 0 287.423 1.657 10 0 CDAERP C[NH+](C)C1(C(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)CCCC1 ZINC001362872276 971683209 /nfs/dbraw/zinc/68/32/09/971683209.db2.gz ZZVSSCXVOYQVIP-INIZCTEOSA-N 2 0 293.455 1.805 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC(C)C)C1 ZINC001480646779 971825260 /nfs/dbraw/zinc/82/52/60/971825260.db2.gz WDDMNHGZSJVHRR-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001480648654 971825295 /nfs/dbraw/zinc/82/52/95/971825295.db2.gz OAGXUTFUAGGHPJ-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCF)C1 ZINC001480653731 971826102 /nfs/dbraw/zinc/82/61/02/971826102.db2.gz ORUNAFXTBMNWMJ-HUUCEWRRSA-N 2 0 299.434 1.514 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)N2CC[C@H]([NH+]3CCC3)C2)CC1 ZINC001363519877 953407302 /nfs/dbraw/zinc/40/73/02/953407302.db2.gz AEKANOJKQUCKAO-INIZCTEOSA-N 2 0 293.455 1.661 10 0 CDAERP C[NH+](C)CCCNC(=O)c1cnccc1Nc1ccccc1 ZINC001290143719 954033897 /nfs/dbraw/zinc/03/38/97/954033897.db2.gz MBGIWYOWKKANLT-UHFFFAOYSA-N 2 0 298.390 1.929 10 0 CDAERP [NH3+][C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C1CCCCC1 ZINC001326311184 954316101 /nfs/dbraw/zinc/31/61/01/954316101.db2.gz PHHNTFHNEPLKQR-HZSPNIEDSA-N 2 0 265.401 1.247 10 0 CDAERP CSC[C@H](O)C[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001364566265 954813318 /nfs/dbraw/zinc/81/33/18/954813318.db2.gz ZKYGFOWTXYCSBU-KFWWJZLASA-N 2 0 284.469 1.518 10 0 CDAERP CC[C@@H](C)C[NH2+][C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001491618676 955318649 /nfs/dbraw/zinc/31/86/49/955318649.db2.gz SIBZMFUSYABMMG-HIFRSBDPSA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H]1CCOCC12CCCC2 ZINC001363337814 972096161 /nfs/dbraw/zinc/09/61/61/972096161.db2.gz YGCFBZPBXLLIKB-GJZGRUSLSA-N 2 0 284.444 1.626 10 0 CDAERP CC[C@@H](C(=O)N1CC[C@H](C[NH2+]CCC(C)C)C1)[NH+](C)C ZINC001491835234 955459596 /nfs/dbraw/zinc/45/95/96/955459596.db2.gz WNPQUFKQIZNDPT-CABCVRRESA-N 2 0 283.460 1.811 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H](C[NH2+]CCCF)C1 ZINC001491812671 955478087 /nfs/dbraw/zinc/47/80/87/955478087.db2.gz QMRRQRLOHYNLAL-GJZGRUSLSA-N 2 0 299.434 1.659 10 0 CDAERP CC[C@H](C(=O)N1CCC(C)([NH2+]C[C@@H](C)OC)CC1)[NH+](C)C ZINC001422040718 955714800 /nfs/dbraw/zinc/71/48/00/955714800.db2.gz KOOAXVCPFYXAAA-ZIAGYGMSSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CCF ZINC001422114656 955750871 /nfs/dbraw/zinc/75/08/71/955750871.db2.gz GYOHYGWRGJDLSR-OLZOCXBDSA-N 2 0 273.396 1.028 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)[NH2+]Cc1cncs1 ZINC001422377921 955970963 /nfs/dbraw/zinc/97/09/63/955970963.db2.gz HTLRJPPPSVAADE-GHMZBOCLSA-N 2 0 284.429 1.078 10 0 CDAERP CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)Cn1cncc1C ZINC001316687657 956026858 /nfs/dbraw/zinc/02/68/58/956026858.db2.gz MTZMUTDDPHKMCS-UKRRQHHQSA-N 2 0 292.427 1.818 10 0 CDAERP CC/C=C\CC[N@H+](C)[C@@H](C)CNC(=O)Cn1ccnc1 ZINC001329627452 956029406 /nfs/dbraw/zinc/02/94/06/956029406.db2.gz GOVOAEBKCLDGAZ-GXMNPTEKSA-N 2 0 278.400 1.676 10 0 CDAERP O=C(N1CC[C@H](C[NH2+]CCC2CC2)C1)C12CC[NH+](CC1)C2 ZINC001317343526 956193749 /nfs/dbraw/zinc/19/37/49/956193749.db2.gz MDOFDDMIWZNXOF-OAHLLOKOSA-N 2 0 291.439 1.320 10 0 CDAERP CC(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001422703045 956271147 /nfs/dbraw/zinc/27/11/47/956271147.db2.gz OONOQZJNTFAMIJ-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)C1C[NH+](CC2CCCC2)C1 ZINC001422757339 956309931 /nfs/dbraw/zinc/30/99/31/956309931.db2.gz VZCYIDXSHJPFJS-AWEZNQCLSA-N 2 0 295.471 1.955 10 0 CDAERP CC[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1C ZINC001365729762 956319682 /nfs/dbraw/zinc/31/96/82/956319682.db2.gz MJXDEJZHNWYLBH-ZIAGYGMSSA-N 2 0 279.428 1.176 10 0 CDAERP CCCCC[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001480680763 956500975 /nfs/dbraw/zinc/50/09/75/956500975.db2.gz YKKRTOZMUUOFKH-HNNXBMFYSA-N 2 0 281.444 1.711 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001423028888 956522646 /nfs/dbraw/zinc/52/26/46/956522646.db2.gz OZJHAOJLAFNVOB-HUUCEWRRSA-N 2 0 299.434 1.561 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001366224657 956647722 /nfs/dbraw/zinc/64/77/22/956647722.db2.gz HMNKBVQKTMZNBS-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](F)C[NH2+][C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001366284719 956710836 /nfs/dbraw/zinc/71/08/36/956710836.db2.gz FHILNDRJTVOSBS-KGLIPLIRSA-N 2 0 299.434 1.705 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)[NH2+]CCC(C)(C)C)[NH+](C)C ZINC001366349250 956761844 /nfs/dbraw/zinc/76/18/44/956761844.db2.gz AUHICNAHYJMZEV-QWHCGFSZSA-N 2 0 271.449 1.857 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)C1C[NH+](CC[C@H]2CCCO2)C1 ZINC001423438134 956785386 /nfs/dbraw/zinc/78/53/86/956785386.db2.gz QMRDWJAAUHIIID-OAHLLOKOSA-N 2 0 297.443 1.040 10 0 CDAERP CC[C@@H](C)C[NH+]1CC(N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001423440155 956787147 /nfs/dbraw/zinc/78/71/47/956787147.db2.gz XWIVZFDSXOALDJ-UKRRQHHQSA-N 2 0 283.460 1.761 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001366393428 956793066 /nfs/dbraw/zinc/79/30/66/956793066.db2.gz SPKJXVUDSDQCAN-OLZOCXBDSA-N 2 0 271.380 1.021 10 0 CDAERP Cc1ncc(C[NH2+][C@H](C)CCNC(=O)[C@H]2CCC[N@@H+]2C)o1 ZINC001366454078 956843540 /nfs/dbraw/zinc/84/35/40/956843540.db2.gz QRRLOMQSPKTDDV-BXUZGUMPSA-N 2 0 294.399 1.062 10 0 CDAERP C[NH+](C)CCC(=O)NCC[N@H+](C)[C@@H]1CCc2ccccc21 ZINC001366560073 956966255 /nfs/dbraw/zinc/96/62/55/956966255.db2.gz VXHRBPTYWNMSAR-MRXNPFEDSA-N 2 0 289.423 1.674 10 0 CDAERP CC[N@H+](CCCNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001316918795 957126955 /nfs/dbraw/zinc/12/69/55/957126955.db2.gz FTJLAIQZKKAIOT-UHFFFAOYSA-N 2 0 267.417 1.461 10 0 CDAERP O=C(CCCC[NH+]1CCCC1)NC1C[NH+](CC2CCC2)C1 ZINC001494510566 972244494 /nfs/dbraw/zinc/24/44/94/972244494.db2.gz FJBUFFJHZQHEKZ-UHFFFAOYSA-N 2 0 293.455 1.853 10 0 CDAERP CC(C)=CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001316981499 957175221 /nfs/dbraw/zinc/17/52/21/957175221.db2.gz HLLMBLDFPQJBIB-AWEZNQCLSA-N 2 0 279.428 1.627 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1C[C@@H]([NH2+]C[C@@H](C)CC)C1)[NH+](C)C ZINC001317090827 957264204 /nfs/dbraw/zinc/26/42/04/957264204.db2.gz GPOBJFYUJLKOCO-XDQVBPFNSA-N 2 0 269.433 1.610 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CCC[C@@H](C[NH2+]CC2CC2)C1 ZINC001317164095 957312712 /nfs/dbraw/zinc/31/27/12/957312712.db2.gz XHLDTAOECIPENQ-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CCF)CC[N@@H+]1C ZINC001317185659 957331045 /nfs/dbraw/zinc/33/10/45/957331045.db2.gz AIUGCVLUCYQCFX-QLFBSQMISA-N 2 0 299.434 1.657 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](C[C@@H](F)CC)C1 ZINC001367039359 957358840 /nfs/dbraw/zinc/35/88/40/957358840.db2.gz OLXDTCWTWHKJRJ-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP CCC(CC)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001317305595 957414648 /nfs/dbraw/zinc/41/46/48/957414648.db2.gz BCKOJVDXPMNFJF-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+]CCCF)C1 ZINC001317339938 957428975 /nfs/dbraw/zinc/42/89/75/957428975.db2.gz OTDBZAXHKJQMIG-CYBMUJFWSA-N 2 0 273.396 1.126 10 0 CDAERP C[NH+](C)CC1(C(=O)NCCC[C@H]2CCC[N@@H+]2CCF)CC1 ZINC001317430293 957467110 /nfs/dbraw/zinc/46/71/10/957467110.db2.gz RRDOOHDWZUSYMQ-AWEZNQCLSA-N 2 0 299.434 1.659 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001332321335 957516970 /nfs/dbraw/zinc/51/69/70/957516970.db2.gz IUENZAPXKVOWBD-KBPBESRZSA-N 2 0 269.433 1.613 10 0 CDAERP CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+](C)CCC)[C@@H]2C1 ZINC001425381344 957523718 /nfs/dbraw/zinc/52/37/18/957523718.db2.gz PPCJCWZBMMWIPX-QKDCVEJESA-N 2 0 281.444 1.422 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]CCC(C)C)CC[N@@H+]1C ZINC001317588373 957585313 /nfs/dbraw/zinc/58/53/13/957585313.db2.gz FFBKKMAAXZNFPB-LSDHHAIUSA-N 2 0 283.460 1.811 10 0 CDAERP CN(CC[NH2+]CCCF)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001317644169 957617181 /nfs/dbraw/zinc/61/71/81/957617181.db2.gz UIGJKZHHUPWABD-KBPBESRZSA-N 2 0 285.407 1.411 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@@H]1[NH+](CCC)CC2 ZINC001425892622 957636611 /nfs/dbraw/zinc/63/66/11/957636611.db2.gz DMXUHVVYQAJPAN-HOCLYGCPSA-N 2 0 281.444 1.851 10 0 CDAERP CC[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]CC1CC1 ZINC001367103626 957677340 /nfs/dbraw/zinc/67/73/40/957677340.db2.gz RXZDUIYVKVZSIH-HUUCEWRRSA-N 2 0 281.444 1.755 10 0 CDAERP C[NH+]1CCC(CC[NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC001332880625 957912286 /nfs/dbraw/zinc/91/22/86/957912286.db2.gz YJVUQRMYWPNPQO-AWEZNQCLSA-N 3 0 251.418 1.593 10 0 CDAERP CC(C)OCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001318240844 957991140 /nfs/dbraw/zinc/99/11/40/957991140.db2.gz PMRGVUYYKZROBK-GJZGRUSLSA-N 2 0 297.443 1.086 10 0 CDAERP CC(C)COCC[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001318427141 958097013 /nfs/dbraw/zinc/09/70/13/958097013.db2.gz WNEGKQMBCXCYNJ-OAHLLOKOSA-N 2 0 299.459 1.143 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001494841999 972321350 /nfs/dbraw/zinc/32/13/50/972321350.db2.gz NUPKIRBQAQDPEV-ZIAGYGMSSA-N 2 0 299.434 1.609 10 0 CDAERP CCOCC[NH2+][C@H](CC)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001318563275 958174213 /nfs/dbraw/zinc/17/42/13/958174213.db2.gz VAAXGPNAZTZCEI-SOUVJXGZSA-N 2 0 299.459 1.238 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CCC(CC[NH2+]CCF)CC2)CC[N@@H+]1C ZINC001318885616 958290537 /nfs/dbraw/zinc/29/05/37/958290537.db2.gz KULUNLZBWUARKM-UKRRQHHQSA-N 2 0 299.434 1.514 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@H](NCCC[NH+]2CCCC2)C1 ZINC001333596771 958443924 /nfs/dbraw/zinc/44/39/24/958443924.db2.gz MTSXEICBJVSLKQ-KBPBESRZSA-N 2 0 253.434 1.968 10 0 CDAERP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC1CCC(O)CC1)C2 ZINC001333608060 958450798 /nfs/dbraw/zinc/45/07/98/958450798.db2.gz YABWYPWUIROUIL-UYSNPLJNSA-N 2 0 266.429 1.955 10 0 CDAERP CC[C@H](C)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001368000841 958569740 /nfs/dbraw/zinc/56/97/40/958569740.db2.gz AUPZXIBGPSKXTB-BFHYXJOUSA-N 2 0 281.444 1.611 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCC(C)(C)C)CC1 ZINC001368019779 958581756 /nfs/dbraw/zinc/58/17/56/958581756.db2.gz DTZKKPOZZHBULO-CYBMUJFWSA-N 2 0 281.444 1.755 10 0 CDAERP CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001494987044 972365318 /nfs/dbraw/zinc/36/53/18/972365318.db2.gz UMRRIUSCJNPZCK-CHWSQXEVSA-N 2 0 255.406 1.364 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@]1(C)CC[NH+](CCCF)C1 ZINC001368150434 958667153 /nfs/dbraw/zinc/66/71/53/958667153.db2.gz HKPNBBVECVQIBR-GOEBONIOSA-N 2 0 299.434 1.801 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001368163239 958674237 /nfs/dbraw/zinc/67/42/37/958674237.db2.gz RAIFPYZSVHMQNZ-ZFWWWQNUSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001368351493 958782495 /nfs/dbraw/zinc/78/24/95/958782495.db2.gz ZITBBAPKKOSZMC-HUUCEWRRSA-N 2 0 281.444 1.565 10 0 CDAERP CN(C[C@@H]1CC[N@@H+]1CC1CCCC1)C(=O)CC[NH+](C)C ZINC001368399395 958810407 /nfs/dbraw/zinc/81/04/07/958810407.db2.gz KFZABRVUBZIRMN-HNNXBMFYSA-N 2 0 281.444 1.661 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001368501909 958908979 /nfs/dbraw/zinc/90/89/79/958908979.db2.gz SVVFCOKBJVAPAZ-FPCVCCKLSA-N 2 0 295.471 1.859 10 0 CDAERP CC[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CCC(C)C ZINC001495094377 972404921 /nfs/dbraw/zinc/40/49/21/972404921.db2.gz OTMBIUZOLGHOQB-HUUCEWRRSA-N 2 0 283.460 1.859 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CN(C)CCO1 ZINC001368814520 959152414 /nfs/dbraw/zinc/15/24/14/959152414.db2.gz OUAGCWBDLRPNRO-LSDHHAIUSA-N 2 0 297.443 1.040 10 0 CDAERP COC[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001368984925 959362189 /nfs/dbraw/zinc/36/21/89/959362189.db2.gz MHUFPBNAFJFYON-UONOGXRCSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)[NH2+]CC1(NC(=O)[C@@H]2CCCC[N@@H+]2C)CCCC1 ZINC001495181802 972434447 /nfs/dbraw/zinc/43/44/47/972434447.db2.gz LTPMJGOZAFZHQP-AWEZNQCLSA-N 2 0 281.444 1.898 10 0 CDAERP CC(C)[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001321120441 959605527 /nfs/dbraw/zinc/60/55/27/959605527.db2.gz IZOHSBBRJGEHEK-URWSZGRFSA-N 2 0 253.390 1.141 10 0 CDAERP CC[C@@H](C(=O)N[C@@]12CCC[C@H]1[N@@H+](C(C)C)CC2)[NH+](C)C ZINC001369418066 959674857 /nfs/dbraw/zinc/67/48/57/959674857.db2.gz VTSKTKHNMZQZEQ-SQWLQELKSA-N 2 0 281.444 1.848 10 0 CDAERP Cc1nc[nH]c1CC(=O)N[C@H](C)C[NH2+]CCC(C)C ZINC001321724197 959921383 /nfs/dbraw/zinc/92/13/83/959921383.db2.gz WFOXPACWBOOGFJ-LLVKDONJSA-N 2 0 266.389 1.401 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH2+]C/C=C\Cl ZINC001321756593 959932895 /nfs/dbraw/zinc/93/28/95/959932895.db2.gz OJXCCGANKBZRQR-ISALQUGTSA-N 2 0 261.797 1.173 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001369989089 959944802 /nfs/dbraw/zinc/94/48/02/959944802.db2.gz WVLOIARVLINWMK-CQSZACIVSA-N 2 0 281.444 1.707 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1CC[NH+](CCCF)C1 ZINC001369987279 959946081 /nfs/dbraw/zinc/94/60/81/959946081.db2.gz QGCMMZCXWAZPJS-UONOGXRCSA-N 2 0 285.407 1.411 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CC[NH+](CC2CCC2)C1 ZINC001369984148 959946815 /nfs/dbraw/zinc/94/68/15/959946815.db2.gz DWKRFVQYSSFDEC-CVEARBPZSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CCc1ccccc1F ZINC001371356929 972485698 /nfs/dbraw/zinc/48/56/98/972485698.db2.gz ZPHYKARTNKGMIS-ZDUSSCGKSA-N 2 0 295.402 1.414 10 0 CDAERP COCCC[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001495478759 972514710 /nfs/dbraw/zinc/51/47/10/972514710.db2.gz ADSLPYDKADYCTK-SHTZXODSSA-N 2 0 297.443 1.136 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001495480215 972516584 /nfs/dbraw/zinc/51/65/84/972516584.db2.gz VINFKEUFKXEPET-KKUMJFAQSA-N 2 0 299.434 1.847 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001418707429 960925908 /nfs/dbraw/zinc/92/59/08/960925908.db2.gz USDVRWFMPYXFQS-RBSFLKMASA-N 2 0 281.444 1.613 10 0 CDAERP CCOCCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H](C)C1 ZINC001324081531 961157202 /nfs/dbraw/zinc/15/72/02/961157202.db2.gz OEKQHJSOJNHQEK-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001324225001 961246516 /nfs/dbraw/zinc/24/65/16/961246516.db2.gz GAISCRSOAZELSS-KGLIPLIRSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)C[NH+]1CC(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001419041431 961292943 /nfs/dbraw/zinc/29/29/43/961292943.db2.gz CLFKVOSORSSXCN-OKILXGFUSA-N 2 0 281.444 1.563 10 0 CDAERP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCC(C)(C)C)C2)CC[N@@H+]1C ZINC001419401272 961661310 /nfs/dbraw/zinc/66/13/10/961661310.db2.gz UFBVLOMOJVGCQF-KBUPBQIOSA-N 2 0 295.471 2.000 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001419412520 961672846 /nfs/dbraw/zinc/67/28/46/961672846.db2.gz IMGSRFKDGLCQSJ-AVGNSLFASA-N 2 0 285.407 1.456 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001419479577 961749529 /nfs/dbraw/zinc/74/95/29/961749529.db2.gz QSSJHMQUOXWGNO-UONOGXRCSA-N 2 0 299.434 1.705 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnc(C)o2)C1)[NH+](C)C ZINC001419510516 961775261 /nfs/dbraw/zinc/77/52/61/961775261.db2.gz DOEQDNLCFOJTNZ-MBNYWOFBSA-N 2 0 294.399 1.060 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001419512084 961781881 /nfs/dbraw/zinc/78/18/81/961781881.db2.gz QQJYZLCUKWWBTF-UPJWGTAASA-N 2 0 273.396 1.313 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001419764921 962090009 /nfs/dbraw/zinc/09/00/09/962090009.db2.gz BVLCYEXIGNNTIQ-ZIAGYGMSSA-N 2 0 299.434 1.705 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)[NH2+]CCC(F)(F)F)[NH+](C)C ZINC001419775624 962098509 /nfs/dbraw/zinc/09/85/09/962098509.db2.gz QDBYQOMWQPJROA-NXEZZACHSA-N 2 0 283.338 1.373 10 0 CDAERP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CCC(C)(C)C ZINC001419839815 962147806 /nfs/dbraw/zinc/14/78/06/962147806.db2.gz PEPQYFPKHVMHMJ-ZDUSSCGKSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccns1 ZINC001419907348 962223860 /nfs/dbraw/zinc/22/38/60/962223860.db2.gz STQSCZZWFNJJMU-VXGBXAGGSA-N 2 0 296.440 1.079 10 0 CDAERP CC(C)[C@H](CNC(=O)CC[NH+](C)C)[NH2+]C/C=C/Cl ZINC001419910858 962229156 /nfs/dbraw/zinc/22/91/56/962229156.db2.gz VQTKWNNAPZRISA-PZBABLGHSA-N 2 0 275.824 1.421 10 0 CDAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccsc1 ZINC001419920364 962238491 /nfs/dbraw/zinc/23/84/91/962238491.db2.gz IXRUTXKKRVKRHQ-LBPRGKRZSA-N 2 0 281.425 1.438 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1Cc1cccnc1 ZINC001436481017 962283553 /nfs/dbraw/zinc/28/35/53/962283553.db2.gz IYTWVDYBGHRGGV-HIFRSBDPSA-N 2 0 290.411 1.112 10 0 CDAERP CC(C)CCC[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001420049619 962414857 /nfs/dbraw/zinc/41/48/57/962414857.db2.gz JCQDKEKWAXKHDH-OAHLLOKOSA-N 2 0 283.460 1.765 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NC[C@@H]([NH2+]CCF)C2CC2)CC[N@@H+]1C ZINC001436813275 962434461 /nfs/dbraw/zinc/43/44/61/962434461.db2.gz PUYFCCUNQGURDH-FPMFFAJLSA-N 2 0 285.407 1.171 10 0 CDAERP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1cncs1 ZINC001437144118 962676717 /nfs/dbraw/zinc/67/67/17/962676717.db2.gz INRDPYRUWIQXBA-NSHDSACASA-N 2 0 296.440 1.222 10 0 CDAERP C[N@H+](CCCF)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001437358980 962831290 /nfs/dbraw/zinc/83/12/90/962831290.db2.gz TYCYONUVMXBIGR-UONOGXRCSA-N 2 0 285.407 1.221 10 0 CDAERP CC(C)C[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001437398362 962860581 /nfs/dbraw/zinc/86/05/81/962860581.db2.gz PCAQCNCCLXJFHG-ILXRZTDVSA-N 2 0 283.460 1.857 10 0 CDAERP C[C@@H](C[NH2+]CC1CCC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001420457803 962928180 /nfs/dbraw/zinc/92/81/80/962928180.db2.gz MNFSDHVRKQCUHW-YDHLFZDLSA-N 2 0 281.444 1.611 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]C(C)C)C1CC1 ZINC001420731922 963211418 /nfs/dbraw/zinc/21/14/18/963211418.db2.gz BFRUJLIGLBWIJC-HUUCEWRRSA-N 2 0 281.444 1.754 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC001437875219 963218834 /nfs/dbraw/zinc/21/88/34/963218834.db2.gz CXZDDBJYYOFJOT-ZNMIVQPWSA-N 2 0 299.434 1.750 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C1CC1 ZINC001420748344 963219523 /nfs/dbraw/zinc/21/95/23/963219523.db2.gz JSBLVIMEHLGFHG-LSDHHAIUSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@@H](CC(=O)NC[C@@H]1CC[N@@H+]1CC1CCC1)n1ccnc1 ZINC001420875698 963323555 /nfs/dbraw/zinc/32/35/55/963323555.db2.gz VFSHBNOKDKRXGK-ZFWWWQNUSA-N 2 0 290.411 1.825 10 0 CDAERP C[C@H](C(=O)N1CCN(C2CC2)C[C@H]1C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001420976516 963397392 /nfs/dbraw/zinc/39/73/92/963397392.db2.gz QEMXDYPVVWAMCU-LXTVHRRPSA-N 2 0 293.455 1.943 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@]1(C)CC[NH+](CC[C@@H](C)F)C1 ZINC001421217326 963503465 /nfs/dbraw/zinc/50/34/65/963503465.db2.gz GETVPHYSIYSDKR-UKRRQHHQSA-N 2 0 287.423 1.657 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@]1(C)CCC[N@H+](CCC2CC2)C1 ZINC001421285466 963534392 /nfs/dbraw/zinc/53/43/92/963534392.db2.gz PYBCBXBPJRRRCM-KRWDZBQOSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]CC1CCCC1 ZINC001438775668 963546268 /nfs/dbraw/zinc/54/62/68/963546268.db2.gz QCUIPNWJRDPFRT-GDBMZVCRSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]CC1CCCC1 ZINC001438775670 963546381 /nfs/dbraw/zinc/54/63/81/963546381.db2.gz QCUIPNWJRDPFRT-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001438931654 963604144 /nfs/dbraw/zinc/60/41/44/963604144.db2.gz HWNXTOTWILNUDK-CABCVRRESA-N 2 0 283.460 1.907 10 0 CDAERP CC(C)n1ccc(C[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C)n1 ZINC001439244099 963689861 /nfs/dbraw/zinc/68/98/61/963689861.db2.gz HNIIJVZASRYYNO-ZDUSSCGKSA-N 2 0 295.431 1.010 10 0 CDAERP C[C@H](CN(C)C/C=C/Cl)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001439313692 963716516 /nfs/dbraw/zinc/71/65/16/963716516.db2.gz PWIAANJCTLVLSV-BAEOLTKYSA-N 2 0 273.808 1.270 10 0 CDAERP CC[C@H](C)C[N@H+](C)C[C@H](C)NC(=O)C[NH+](C)C(C)C ZINC001439400289 963752712 /nfs/dbraw/zinc/75/27/12/963752712.db2.gz AQMKZZAZSBGWCZ-KBPBESRZSA-N 2 0 271.449 1.809 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001439625905 963824293 /nfs/dbraw/zinc/82/42/93/963824293.db2.gz BYIYBQTYJKCTGY-CYBMUJFWSA-N 2 0 297.418 1.601 10 0 CDAERP COC[C@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001439688136 963837187 /nfs/dbraw/zinc/83/71/87/963837187.db2.gz ORCZUBAHUHJQNR-ZNMIVQPWSA-N 2 0 297.443 1.038 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+](C[C@@H]2CCCCO2)C1 ZINC001439850982 963879441 /nfs/dbraw/zinc/87/94/41/963879441.db2.gz LXOQIKHYXGXRHB-HOCLYGCPSA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CCCF ZINC001440443802 964051759 /nfs/dbraw/zinc/05/17/59/964051759.db2.gz CEANUULIHVHVPI-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]C[C@@H](C)OC)[NH+](C)C ZINC001440716831 964141853 /nfs/dbraw/zinc/14/18/53/964141853.db2.gz UWEREFHNGVZZAP-QLFBSQMISA-N 2 0 299.459 1.332 10 0 CDAERP CCC(CC)C[NH2+]CC1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001440758951 964160479 /nfs/dbraw/zinc/16/04/79/964160479.db2.gz BYGRSOYDNXUMMX-HWOWSKLDSA-N 2 0 295.471 1.859 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cccnc1 ZINC001440826059 964200290 /nfs/dbraw/zinc/20/02/90/964200290.db2.gz BOSONOFSYVILPN-KGLIPLIRSA-N 2 0 292.427 1.406 10 0 CDAERP C[C@@H]([NH2+]CCF)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001440827170 964201191 /nfs/dbraw/zinc/20/11/91/964201191.db2.gz PLVGCXGLUIXKBA-NEPJUHHUSA-N 2 0 273.396 1.313 10 0 CDAERP C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)[N@H+](C)CC1CC1 ZINC001440929905 964269466 /nfs/dbraw/zinc/26/94/66/964269466.db2.gz CGTRZICUWLDLRU-AWEZNQCLSA-N 2 0 293.455 1.709 10 0 CDAERP CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001441264831 964440554 /nfs/dbraw/zinc/44/05/54/964440554.db2.gz CIHFZXSOHGSJAK-ZIAGYGMSSA-N 2 0 299.459 1.188 10 0 CDAERP C[N@H+](CC(=O)NC[C@@H]1[C@H]2C[NH+](CCF)C[C@H]21)CC(C)(C)C ZINC001441292548 964451881 /nfs/dbraw/zinc/45/18/81/964451881.db2.gz WZXGKIYIMWROKK-ZSOGYDGISA-N 2 0 299.434 1.228 10 0 CDAERP CC(C)[NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001441363656 964475234 /nfs/dbraw/zinc/47/52/34/964475234.db2.gz FEFLOSSHMVLCLA-SHTZXODSSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H](CC(=O)N[C@H]1C[C@H](C[NH2+]CC2CC2)C1)n1ccnc1 ZINC001441368510 964478673 /nfs/dbraw/zinc/47/86/73/964478673.db2.gz KGJAHHUGUSWBPO-BPLDGKMQSA-N 2 0 290.411 1.729 10 0 CDAERP CC[NH2+][C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001441404077 964500897 /nfs/dbraw/zinc/50/08/97/964500897.db2.gz PHYXYDXQQUCDBR-HUUCEWRRSA-N 2 0 283.460 2.000 10 0 CDAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC[C@@H](C)F)C1 ZINC001441493614 964550776 /nfs/dbraw/zinc/55/07/76/964550776.db2.gz SHQBVRBNOXBPSQ-APIJFGDWSA-N 2 0 299.434 1.844 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N1CCC[C@@H]([N@@H+](C)CC)C1 ZINC001442193069 964906087 /nfs/dbraw/zinc/90/60/87/964906087.db2.gz GBYSKRURXGUHKL-KGLIPLIRSA-N 2 0 287.423 1.609 10 0 CDAERP C[N@H+](C/C=C/Cl)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001442218744 964929625 /nfs/dbraw/zinc/92/96/25/964929625.db2.gz URALPGFNQJDPND-QFVHEQCKSA-N 2 0 299.846 1.613 10 0 CDAERP CN(C(=O)C[NH+]1CCCC1)C1CC([NH2+]C/C=C/Cl)C1 ZINC001442246805 964959992 /nfs/dbraw/zinc/95/99/92/964959992.db2.gz IRJUHNYYZAHFDQ-SNAWJCMRSA-N 2 0 285.819 1.414 10 0 CDAERP CCN(CCC[NH+]1CCCC1)C(=O)[C@@H]1CC[N@@H+]1CC ZINC001556236420 965012750 /nfs/dbraw/zinc/01/27/50/965012750.db2.gz HBDPIUHEPCOTQZ-AWEZNQCLSA-N 2 0 267.417 1.415 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)CC[NH+](C)C)C1 ZINC001442492217 965091377 /nfs/dbraw/zinc/09/13/77/965091377.db2.gz UJMGKAOZMOHFKD-HUUCEWRRSA-N 2 0 283.460 1.811 10 0 CDAERP CC[N@H+](CCCC(C)C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001442747533 965196303 /nfs/dbraw/zinc/19/63/03/965196303.db2.gz CLVCBKSPPASMIL-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001442996674 965311312 /nfs/dbraw/zinc/31/13/12/965311312.db2.gz SZUCTKVZELJGFA-HNNXBMFYSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001444171377 965749631 /nfs/dbraw/zinc/74/96/31/965749631.db2.gz CVXUVLPYHSLVDY-AJNGGQMLSA-N 2 0 299.434 1.703 10 0 CDAERP CC(C)[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]CC1CCC1 ZINC001444936694 966012990 /nfs/dbraw/zinc/01/29/90/966012990.db2.gz GYGVOFQNPBPNQO-OAHLLOKOSA-N 2 0 283.460 1.857 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1CC1CCCCC1 ZINC001446081851 966441777 /nfs/dbraw/zinc/44/17/77/966441777.db2.gz AHGJFZRXQKVOQW-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@@]2(C1)CCC[N@H+](CCF)C2 ZINC001446325045 966513465 /nfs/dbraw/zinc/51/34/65/966513465.db2.gz CNRKIDJSKUMCNU-HNNXBMFYSA-N 2 0 285.407 1.222 10 0 CDAERP CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001447370620 966770693 /nfs/dbraw/zinc/77/06/93/966770693.db2.gz GGKIPIDPUOBTET-JKSUJKDBSA-N 2 0 295.471 1.909 10 0 CDAERP CC(C)[N@H+](C)CCCNC(=O)CC[NH+]1CC[C@@H](F)C1 ZINC001543605092 967311420 /nfs/dbraw/zinc/31/14/20/967311420.db2.gz HOIPKXVXQUKUOQ-CYBMUJFWSA-N 2 0 273.396 1.267 10 0 CDAERP O=C(CCCC[NH+]1CCCC1)NC[C@@H]1C[NH+]2CCC1CC2 ZINC001456759855 969042036 /nfs/dbraw/zinc/04/20/36/969042036.db2.gz NMZFEBIFXQSCFB-MRXNPFEDSA-N 2 0 293.455 1.711 10 0 CDAERP c1ncn2ccnc(N3CCC[N@@H+]4CCC[C@H]4C3)c12 ZINC001355225766 969093632 /nfs/dbraw/zinc/09/36/32/969093632.db2.gz IOQBDABOXVGRQE-LBPRGKRZSA-N 2 0 257.341 1.404 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC001464196727 969775998 /nfs/dbraw/zinc/77/59/98/969775998.db2.gz KAKTUENHMOPZJL-QLFBSQMISA-N 2 0 283.460 1.953 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC001361896907 970653336 /nfs/dbraw/zinc/65/33/36/970653336.db2.gz FGTNHSSHEFGKPU-OAGGEKHMSA-N 2 0 293.455 1.804 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)[NH+]1CCCC1 ZINC001472488769 970654863 /nfs/dbraw/zinc/65/48/63/970654863.db2.gz BNPDPIFUKOBIMJ-ILXRZTDVSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]C(C)C)CC[N@@H+]1C ZINC001496063257 972782500 /nfs/dbraw/zinc/78/25/00/972782500.db2.gz FJCBUDUKSSXOGH-MELADBBJSA-N 2 0 269.433 1.562 10 0 CDAERP CC(C)[C@H](C(=O)NCC[N@H+](C)CCCF)[NH+]1CCCC1 ZINC001372251366 972874469 /nfs/dbraw/zinc/87/44/69/972874469.db2.gz YGZOBNZJLJTFRW-CQSZACIVSA-N 2 0 287.423 1.514 10 0 CDAERP CC[NH2+][C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)c1ccccc1 ZINC001373067163 973246304 /nfs/dbraw/zinc/24/63/04/973246304.db2.gz SOKKWTHWBZYJPI-LSDHHAIUSA-N 2 0 277.412 1.794 10 0 CDAERP CC[C@H](C(=O)NCC[C@@H]1CC[N@H+](CC(C)C)C1)[NH+](C)C ZINC001373192196 973299149 /nfs/dbraw/zinc/29/91/49/973299149.db2.gz IDEAIRMEPBFDHI-HUUCEWRRSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)NC[C@H](C)C[NH+](C)C)CC1 ZINC001417881476 973448678 /nfs/dbraw/zinc/44/86/78/973448678.db2.gz DFZHNGCEKKMGGE-AWEZNQCLSA-N 2 0 283.460 1.668 10 0 CDAERP CC(C)CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C ZINC001373572172 973495754 /nfs/dbraw/zinc/49/57/54/973495754.db2.gz ZXHBIJRXSVQETF-HRCADAONSA-N 2 0 293.455 1.802 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001418057540 973559234 /nfs/dbraw/zinc/55/92/34/973559234.db2.gz JQWDRUBCCKIYCX-AJNGGQMLSA-N 2 0 297.418 1.313 10 0 CDAERP C[C@H](C[NH2+]Cc1ccccn1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001497962610 973591539 /nfs/dbraw/zinc/59/15/39/973591539.db2.gz JWWGRYBBZSUBLK-ZIAGYGMSSA-N 2 0 290.411 1.018 10 0 CDAERP CC1CC(C[NH2+]C[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001418136492 973606157 /nfs/dbraw/zinc/60/61/57/973606157.db2.gz FMTJKGUFWZYHRT-PCKAHOCUSA-N 2 0 295.471 1.812 10 0 CDAERP CC[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CCC1CC1 ZINC001373819139 973657981 /nfs/dbraw/zinc/65/79/81/973657981.db2.gz DAJYJCIYVUTZTI-GJZGRUSLSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001418330363 973752732 /nfs/dbraw/zinc/75/27/32/973752732.db2.gz KQSSPEUGHGDAPT-ZFWWWQNUSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@H](C)C[NH2+][C@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001418427554 973818691 /nfs/dbraw/zinc/81/86/91/973818691.db2.gz QLXUGTBRXFTDNJ-UONOGXRCSA-N 2 0 281.444 1.613 10 0 CDAERP COCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001498327738 973831182 /nfs/dbraw/zinc/83/11/82/973831182.db2.gz YVDKPXLLMVBNLU-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@]2(CC[NH+](C(C)C)C2)C1 ZINC001499618499 974274722 /nfs/dbraw/zinc/27/47/22/974274722.db2.gz CUHFVUPCPRZSOQ-INIZCTEOSA-N 2 0 281.444 1.659 10 0 CDAERP C[C@H](C[N@H+](C)CCC(C)(C)C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001375153599 974277775 /nfs/dbraw/zinc/27/77/75/974277775.db2.gz GIURVOYIYSBRGZ-KGLIPLIRSA-N 2 0 283.460 1.811 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CCC[C@H]1C[NH2+]CCF ZINC001499945466 974342046 /nfs/dbraw/zinc/34/20/46/974342046.db2.gz WKWXYLHPUCXJAS-ZDUSSCGKSA-N 2 0 273.396 1.268 10 0 CDAERP CCOCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001501093222 974530983 /nfs/dbraw/zinc/53/09/83/974530983.db2.gz XIISGLYBAUGKMQ-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP COC[C@H](C)[N@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001376279120 974619593 /nfs/dbraw/zinc/61/95/93/974619593.db2.gz DVZYGWOVPAEBBH-GJZGRUSLSA-N 2 0 299.459 1.143 10 0 CDAERP Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)CCC[NH+](C)C)C2)on1 ZINC001376481851 974672966 /nfs/dbraw/zinc/67/29/66/974672966.db2.gz YFKVZBAMNOHYAM-BETUJISGSA-N 2 0 294.399 1.062 10 0 CDAERP CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001376493260 974674768 /nfs/dbraw/zinc/67/47/68/974674768.db2.gz STGSJSCBQNBZBF-OWCLPIDISA-N 2 0 289.423 1.936 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1CCC[N@H+](CC)C1 ZINC001376595815 974693291 /nfs/dbraw/zinc/69/32/91/974693291.db2.gz DIHLVLFFKUUKJB-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP CCCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001502753537 974776109 /nfs/dbraw/zinc/77/61/09/974776109.db2.gz BAUMUHAWHMRLQZ-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP CC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1cnc(C)s1)[NH+](C)C ZINC001376855633 974794887 /nfs/dbraw/zinc/79/48/87/974794887.db2.gz MUXDDLGEJQGCJO-GWCFXTLKSA-N 2 0 298.456 1.386 10 0 CDAERP CC[N@H+](C)CCCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001377022373 974858123 /nfs/dbraw/zinc/85/81/23/974858123.db2.gz WLRMDHLBKHWLGM-HNNXBMFYSA-N 2 0 283.460 1.907 10 0 CDAERP CC1CC(C[N@H+](C)CCNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001377172387 974914284 /nfs/dbraw/zinc/91/42/84/974914284.db2.gz ICKKHUHSFMXXMO-GPANFISMSA-N 2 0 295.471 1.955 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)CCC1CC1 ZINC001377185028 974917255 /nfs/dbraw/zinc/91/72/55/974917255.db2.gz VPVNTGMUKRSSBD-JKSUJKDBSA-N 2 0 293.455 1.851 10 0 CDAERP C[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)CC1CC(C)(C)C1 ZINC001377251176 974945636 /nfs/dbraw/zinc/94/56/36/974945636.db2.gz PGFUMIDCMRZCGI-CQSZACIVSA-N 2 0 295.471 1.812 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)[NH2+]CCc1ccccc1 ZINC001505685297 974962813 /nfs/dbraw/zinc/96/28/13/974962813.db2.gz GLBGCADOFFGSMG-HUUCEWRRSA-N 2 0 291.439 1.664 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001505760734 974984828 /nfs/dbraw/zinc/98/48/28/974984828.db2.gz OLBBJUZQAJTCFN-KBPBESRZSA-N 2 0 269.433 1.776 10 0 CDAERP CCCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001505801271 974991969 /nfs/dbraw/zinc/99/19/69/974991969.db2.gz CNJQREYBHUXBIB-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)C[C@H]1CCCCO1 ZINC001506065924 975105870 /nfs/dbraw/zinc/10/58/70/975105870.db2.gz YOLMVLGKIZIZTD-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH+](C)CCF)C1 ZINC001377789356 975140173 /nfs/dbraw/zinc/14/01/73/975140173.db2.gz VQTMLDLICFHXQA-HUUCEWRRSA-N 2 0 299.434 1.611 10 0 CDAERP C[C@@H]([NH2+]CCO)[C@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001377815581 975147335 /nfs/dbraw/zinc/14/73/35/975147335.db2.gz HQNALCXBMHOVJX-KGLIPLIRSA-N 2 0 299.459 1.116 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1nccs1 ZINC001377871664 975162523 /nfs/dbraw/zinc/16/25/23/975162523.db2.gz KRIJWXXNUYYKKA-NWDGAFQWSA-N 2 0 298.456 1.468 10 0 CDAERP Cc1cc(C[NH2+][C@H](C)[C@H](C)NC(=O)C[N@@H+](C)C(C)C)on1 ZINC001377913142 975172963 /nfs/dbraw/zinc/17/29/63/975172963.db2.gz OURFTURADZIOQL-OLZOCXBDSA-N 2 0 296.415 1.306 10 0 CDAERP CCN(C(=O)Cn1ccnc1)[C@H]1CC[N@H+](CC2CC2)C1 ZINC001378199571 975281870 /nfs/dbraw/zinc/28/18/70/975281870.db2.gz KTLLIARRUGCLIC-AWEZNQCLSA-N 2 0 276.384 1.216 10 0 CDAERP COCCCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001507079853 975327363 /nfs/dbraw/zinc/32/73/63/975327363.db2.gz PPZOXRWYXUUJAI-RBSFLKMASA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccccn1 ZINC001378338378 975332989 /nfs/dbraw/zinc/33/29/89/975332989.db2.gz OPTOIUXSZIZKCH-CQSZACIVSA-N 2 0 290.411 1.162 10 0 CDAERP CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]C/C=C/Cl ZINC001378344418 975335511 /nfs/dbraw/zinc/33/55/11/975335511.db2.gz SYYZPDUZTKWDAT-SYTKJHMZSA-N 2 0 275.824 1.564 10 0 CDAERP CCC[NH2+][C@@H](C)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001507148203 975355313 /nfs/dbraw/zinc/35/53/13/975355313.db2.gz LDRXELZEKKJYOG-QWHCGFSZSA-N 2 0 255.406 1.175 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001404504692 975410600 /nfs/dbraw/zinc/41/06/00/975410600.db2.gz VEYUHTKKLQOOSR-LSDHHAIUSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]Cc2ccccn2)CN1C(=O)CC[NH+](C)C ZINC001507316883 975414331 /nfs/dbraw/zinc/41/43/31/975414331.db2.gz FVEUGECCOLKSMC-DZGCQCFKSA-N 2 0 290.411 1.112 10 0 CDAERP CC/C=C\CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001507323613 975415395 /nfs/dbraw/zinc/41/53/95/975415395.db2.gz YOFKIAZQNIRZOM-NHQLZKDQSA-N 2 0 281.444 1.873 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+]Cc1ccccn1 ZINC001378640810 975424594 /nfs/dbraw/zinc/42/45/94/975424594.db2.gz OYXDMUJIAOHSBR-CQSZACIVSA-N 2 0 292.427 1.264 10 0 CDAERP CC(C)C[C@@H](C)C[NH+]1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001404827107 975500772 /nfs/dbraw/zinc/50/07/72/975500772.db2.gz RVPRBGPDNGMKPV-CABCVRRESA-N 2 0 295.471 1.811 10 0 CDAERP CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC1CC1 ZINC001401324017 975589557 /nfs/dbraw/zinc/58/95/57/975589557.db2.gz OHLURQCCSCTYTA-BPLDGKMQSA-N 2 0 281.444 1.467 10 0 CDAERP CC[C@@H](C[N@H+]1CC=C(CNC(=O)CC[NH+](C)C)CC1)OC ZINC001508218715 975642277 /nfs/dbraw/zinc/64/22/77/975642277.db2.gz BZQVTDLRIBLDIA-HNNXBMFYSA-N 2 0 297.443 1.111 10 0 CDAERP C[C@@H](CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CCF ZINC001379134554 975684133 /nfs/dbraw/zinc/68/41/33/975684133.db2.gz HNTADCWTZXNZCG-STQMWFEESA-N 2 0 273.396 1.267 10 0 CDAERP CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)[C@H]21 ZINC001397741488 975696389 /nfs/dbraw/zinc/69/63/89/975696389.db2.gz IOLDEUNFDLYODR-BMFZPTHFSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1C ZINC001397791591 975721644 /nfs/dbraw/zinc/72/16/44/975721644.db2.gz HZQLLZTTYDFWKR-MJBXVCDLSA-N 2 0 299.434 1.798 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]([NH2+]C/C=C\Cl)C1CC1 ZINC001398434227 975983727 /nfs/dbraw/zinc/98/37/27/975983727.db2.gz JBHSYKIVNCDJTD-MIBUCLJRSA-N 2 0 273.808 1.175 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]1CC[N@@H+]1CC1CC1)[NH+](CC)CC ZINC001401907249 975993542 /nfs/dbraw/zinc/99/35/42/975993542.db2.gz SGVQMNSGAJWINQ-LSDHHAIUSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001389799783 975993986 /nfs/dbraw/zinc/99/39/86/975993986.db2.gz UNZYSXZLIRHOQA-LSDHHAIUSA-N 2 0 283.460 1.809 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]CCC(F)(F)F)C2)C1 ZINC001389817945 976003151 /nfs/dbraw/zinc/00/31/51/976003151.db2.gz FGRCDYCBWVFSKM-MNOVXSKESA-N 2 0 293.333 1.081 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1([NH2+]CCC2CC2)CC1 ZINC001401947315 976035474 /nfs/dbraw/zinc/03/54/74/976035474.db2.gz NXKMHCMVCSLWCG-HNNXBMFYSA-N 2 0 293.455 1.899 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCC3)C2)CCC1 ZINC001398619967 976077808 /nfs/dbraw/zinc/07/78/08/976077808.db2.gz LDLXESAGQGQTBA-OKILXGFUSA-N 2 0 279.428 1.508 10 0 CDAERP CC[C@H](C(=O)NC[C@H]1CCC[N@H+](CCC2CC2)C1)[NH+](C)C ZINC001398696745 976112584 /nfs/dbraw/zinc/11/25/84/976112584.db2.gz MJDJAORMOCVTGK-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP O=C(C[NH+]1CCCC1)NC1CCC([NH2+]C/C=C\Cl)CC1 ZINC001398852283 976176030 /nfs/dbraw/zinc/17/60/30/976176030.db2.gz QNYOCTZANXLRRN-BAQGIRSFSA-N 2 0 299.846 1.852 10 0 CDAERP C[C@H](C(=O)NC[C@@H]1CC[N@@H+]1CC1CC1)[NH+]1CCCCCC1 ZINC001380018498 976191555 /nfs/dbraw/zinc/19/15/55/976191555.db2.gz XGNLHWZIGAHNOR-ZBFHGGJFSA-N 2 0 293.455 1.851 10 0 CDAERP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC[C@H](C)F)C1)[NH+](C)C ZINC001402451280 976290874 /nfs/dbraw/zinc/29/08/74/976290874.db2.gz JCQOYDRCCSJNCG-AVGNSLFASA-N 2 0 273.396 1.265 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCCN(C)C/C=C/Cl ZINC001492878724 976296427 /nfs/dbraw/zinc/29/64/27/976296427.db2.gz MFEUVOPSJFTQPV-AATRIKPKSA-N 2 0 261.797 1.127 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C ZINC001402483661 976307231 /nfs/dbraw/zinc/30/72/31/976307231.db2.gz LKXGPBQDUQREDT-KKUMJFAQSA-N 2 0 299.434 1.752 10 0 CDAERP CC[C@H](F)C[NH2+][C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001399085954 976330596 /nfs/dbraw/zinc/33/05/96/976330596.db2.gz BSQFLKPOSBDUPJ-KGLIPLIRSA-N 2 0 287.423 1.561 10 0 CDAERP O=C(NCC1([NH2+]CCF)CC1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001406935684 976484901 /nfs/dbraw/zinc/48/49/01/976484901.db2.gz HADLELNOCOJYGI-CHWSQXEVSA-N 2 0 283.391 1.211 10 0 CDAERP CC[C@H](C(=O)NC1CCC([NH2+]CCF)CC1)[NH+](C)C ZINC001402824544 976502171 /nfs/dbraw/zinc/50/21/71/976502171.db2.gz FZSPXOHKZVMIAX-WXRRBKDZSA-N 2 0 273.396 1.313 10 0 CDAERP Cc1ncc(C[NH2+][C@@H](C)CCNC(=O)CC[NH+](C)C)s1 ZINC001402846703 976530807 /nfs/dbraw/zinc/53/08/07/976530807.db2.gz HEWXHGRXPUOEGX-NSHDSACASA-N 2 0 298.456 1.388 10 0 CDAERP C[C@@H](CCNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH2+]CC1CCC1 ZINC001402854152 976536696 /nfs/dbraw/zinc/53/66/96/976536696.db2.gz UAOQEEBBLLQJSK-YOEHRIQHSA-N 2 0 293.455 1.757 10 0 CDAERP C[NH+](C)CCC(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC001399567296 976569120 /nfs/dbraw/zinc/56/91/20/976569120.db2.gz FHYYMSNBCCYFFI-UHFFFAOYSA-N 2 0 281.375 1.325 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CCC1 ZINC001380881401 976590936 /nfs/dbraw/zinc/59/09/36/976590936.db2.gz ZECPYYBPAPOQHY-CYBMUJFWSA-N 2 0 299.434 1.705 10 0 CDAERP C[N@H+](CCCC1CCC1)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001399646847 976620665 /nfs/dbraw/zinc/62/06/65/976620665.db2.gz VTBHVPIEKMRVAC-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP CCC[NH+]1CCC(C)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001407272229 976622634 /nfs/dbraw/zinc/62/26/34/976622634.db2.gz FNLLIYAZEWYNQK-HNNXBMFYSA-N 2 0 295.471 1.957 10 0 CDAERP CC[NH2+][C@@H](C)[C@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001403001880 976654171 /nfs/dbraw/zinc/65/41/71/976654171.db2.gz SVJSIBQVGHTTHV-QWRGUYRKSA-N 2 0 283.441 1.926 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)CCOC ZINC001399783399 976679314 /nfs/dbraw/zinc/67/93/14/976679314.db2.gz FBTMLCHYEWARLB-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001407525345 976689297 /nfs/dbraw/zinc/68/92/97/976689297.db2.gz AGJPAEGMZHOKHA-JKSUJKDBSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001381290933 976745969 /nfs/dbraw/zinc/74/59/69/976745969.db2.gz LTNQRLOZTGWSOT-CVEARBPZSA-N 2 0 295.471 1.907 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)[N@H+](C)Cc1cccnc1)[NH+](C)C ZINC001403138205 976754654 /nfs/dbraw/zinc/75/46/54/976754654.db2.gz HXQHZWHYOHQZJF-DZGCQCFKSA-N 2 0 292.427 1.358 10 0 CDAERP CCC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C[C@H](C)CC ZINC001399939892 976761125 /nfs/dbraw/zinc/76/11/25/976761125.db2.gz IWDITOSFGBLRJT-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@H]([NH2+]C/C=C/Cl)C1 ZINC001403160198 976773002 /nfs/dbraw/zinc/77/30/02/976773002.db2.gz AFYZZRLVIQPEGL-MCCIDYISSA-N 2 0 297.830 1.271 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC[C@H]1CC[NH+](CCF)C1 ZINC001391331399 976816499 /nfs/dbraw/zinc/81/64/99/976816499.db2.gz FJLWTHXLNJRLGS-ZDUSSCGKSA-N 2 0 273.396 1.124 10 0 CDAERP CC[C@H](F)CN1CC([C@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001403323157 976881647 /nfs/dbraw/zinc/88/16/47/976881647.db2.gz YHVACFPUQRMINR-JSGCOSHPSA-N 2 0 287.423 1.513 10 0 CDAERP CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001403379610 976922764 /nfs/dbraw/zinc/92/27/64/976922764.db2.gz OFUJLTZRTNBFPB-APIJFGDWSA-N 2 0 299.434 1.370 10 0 CDAERP CC[C@@H](F)C[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001381615675 976951985 /nfs/dbraw/zinc/95/19/85/976951985.db2.gz BYXKAOFSCWRRKR-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001391552770 976955063 /nfs/dbraw/zinc/95/50/63/976955063.db2.gz IXHKGNRMISAKMS-ILXRZTDVSA-N 2 0 283.460 1.809 10 0 CDAERP CC(C)[NH2+][C@H](CCN(C)C(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001381714429 976988282 /nfs/dbraw/zinc/98/82/82/976988282.db2.gz HJSJAPYWHQGCGJ-OAHLLOKOSA-N 2 0 295.471 1.953 10 0 CDAERP CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001403503989 976999948 /nfs/dbraw/zinc/99/99/48/976999948.db2.gz SLYBMRYFXKWAQX-CABCVRRESA-N 2 0 279.428 1.175 10 0 CDAERP CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC1CCCC1 ZINC001391745062 977078380 /nfs/dbraw/zinc/07/83/80/977078380.db2.gz TVIIRMHVAKPCJQ-HNNXBMFYSA-N 2 0 293.455 1.757 10 0 CDAERP CCCC[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001403790210 977193775 /nfs/dbraw/zinc/19/37/75/977193775.db2.gz JJKJIGFRCZXSEN-HOCLYGCPSA-N 2 0 281.444 1.851 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]C[C@@H](C)OC)C(C)(C)C1 ZINC001403831860 977221236 /nfs/dbraw/zinc/22/12/36/977221236.db2.gz TVYNUACJINTBED-ZIAGYGMSSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CCC(F)(F)F ZINC001392228487 977272624 /nfs/dbraw/zinc/27/26/24/977272624.db2.gz CWUYPIPCCCACSC-LLVKDONJSA-N 2 0 297.365 1.621 10 0 CDAERP CC[NH+]1CCC([C@@H](C)NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001403975454 977290210 /nfs/dbraw/zinc/29/02/10/977290210.db2.gz PWIQRSYYGQKRBE-CYBMUJFWSA-N 2 0 281.444 1.707 10 0 CDAERP CC[N@H+](C)CCN(C(=O)[C@@H](C)Cc1c[nH]cn1)C(C)C ZINC001382506347 977295490 /nfs/dbraw/zinc/29/54/90/977295490.db2.gz ZXPJEIIIFLOSTR-ZDUSSCGKSA-N 2 0 280.416 1.777 10 0 CDAERP CC(C)N(CC[N@H+](C)CC1CC1)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001382505750 977296451 /nfs/dbraw/zinc/29/64/51/977296451.db2.gz KXHRUBMKLBTXFQ-MRXNPFEDSA-N 2 0 295.471 1.907 10 0 CDAERP CC[C@H](F)C[N@H+](C)C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001392686815 977548960 /nfs/dbraw/zinc/54/89/60/977548960.db2.gz GZVXSSXQHOUNFN-KBPBESRZSA-N 2 0 299.434 1.799 10 0 CDAERP CCCC[NH+]1CCC(CO)(NC(=O)C[N@H+](C)CCC)CC1 ZINC001393852905 977933878 /nfs/dbraw/zinc/93/38/78/977933878.db2.gz HXTJGKKJOVLLRQ-UHFFFAOYSA-N 2 0 299.459 1.071 10 0 CDAERP C[C@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)[NH2+]C/C=C/Cl ZINC001393979442 977995458 /nfs/dbraw/zinc/99/54/58/977995458.db2.gz UYGHZIZQANBUDG-XTPCBIOYSA-N 2 0 287.835 1.564 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CCCF ZINC001394139669 978086745 /nfs/dbraw/zinc/08/67/45/978086745.db2.gz PQDOHZXWOOZAFK-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]C/C=C/Cl)CN1C(=O)CC[NH+](C)C ZINC001394673852 978221757 /nfs/dbraw/zinc/22/17/57/978221757.db2.gz SQRUUJNGMPIINS-WBIIUDBISA-N 2 0 273.808 1.270 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CCC(C)C)C[C@@H]1C ZINC001394675442 978227886 /nfs/dbraw/zinc/22/78/86/978227886.db2.gz XKHYEOWKZRWNFE-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]21 ZINC001394691653 978233518 /nfs/dbraw/zinc/23/35/18/978233518.db2.gz RKPFVKLEUSIROV-BZUAXINKSA-N 2 0 295.471 1.952 10 0 CDAERP C[C@H](NC(=O)C[NH+]1CCCC1)C1CC[NH+](CC2CC2)CC1 ZINC001394845883 978283241 /nfs/dbraw/zinc/28/32/41/978283241.db2.gz DBWWERCXUQFJBF-AWEZNQCLSA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)(C(=O)NC1CC(C[NH2+]CCF)C1)[NH+]1CCCC1 ZINC001674570350 1173964421 /nfs/dbraw/zinc/96/44/21/1173964421.db2.gz VEFWXVRLWJKESB-UHFFFAOYSA-N 2 0 285.407 1.315 10 0 CDAERP CCCC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001676018397 1174174104 /nfs/dbraw/zinc/17/41/04/1174174104.db2.gz LVNUCJXPLWHRII-UONOGXRCSA-N 2 0 269.433 1.613 10 0 CDAERP CC(C)CC[NH2+]CC1CC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001570572066 1170193366 /nfs/dbraw/zinc/19/33/66/1170193366.db2.gz ROUUXEZDVGBVGN-QQFBHYJXSA-N 2 0 295.471 1.859 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N[C@H](C[NH2+]CCF)C(C)(C)C)C1 ZINC001571633121 1170503325 /nfs/dbraw/zinc/50/33/25/1170503325.db2.gz IQONYWKSDNNDHQ-QWHCGFSZSA-N 2 0 287.423 1.418 10 0 CDAERP O=C(CC[C@H]1CCC[NH2+]C1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000221406628 342536173 /nfs/dbraw/zinc/53/61/73/342536173.db2.gz BEIOJUSUNHLJJK-HUUCEWRRSA-N 2 0 279.428 1.463 10 0 CDAERP Cc1ccc2ncc(C[NH2+]CCC3(C[NH3+])CC3)n2c1 ZINC000650712466 398155574 /nfs/dbraw/zinc/15/55/74/398155574.db2.gz FAMKZLVEGLMAOM-UHFFFAOYSA-N 2 0 258.369 1.861 10 0 CDAERP CCN(C)c1ccc(C[NH2+]CCC2(C[NH3+])CC2)cn1 ZINC000650714078 398156267 /nfs/dbraw/zinc/15/62/67/398156267.db2.gz QHLJEKVLAPNLLJ-UHFFFAOYSA-N 2 0 262.401 1.756 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000650724983 398163794 /nfs/dbraw/zinc/16/37/94/398163794.db2.gz QRXZTSLADRBBKM-QXSJWSMHSA-N 2 0 283.460 1.721 10 0 CDAERP CC(C)(C)[NH2+]CCN1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000650725039 398163911 /nfs/dbraw/zinc/16/39/11/398163911.db2.gz RWBKWXJDXAZUIJ-KFWWJZLASA-N 2 0 283.460 1.735 10 0 CDAERP CCOC(=O)CCCCC[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000601325838 342554052 /nfs/dbraw/zinc/55/40/52/342554052.db2.gz GCARXSUUSZKVEM-STQMWFEESA-N 2 0 256.390 1.637 10 0 CDAERP C[NH+](C)CCNC(=O)C1CC[NH+](CC2(C)CCC2)CC1 ZINC000345148669 282103925 /nfs/dbraw/zinc/10/39/25/282103925.db2.gz DGKKZNWPUOLTHB-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000624948846 342023557 /nfs/dbraw/zinc/02/35/57/342023557.db2.gz PESNVTFWLJEEMY-RDBSUJKOSA-N 2 0 280.416 1.007 10 0 CDAERP CC[NH+]1CCC(C[NH2+][C@H](C)c2ccnn2C)CC1 ZINC000233982393 342042113 /nfs/dbraw/zinc/04/21/13/342042113.db2.gz HUUKCTPULCFXTE-GFCCVEGCSA-N 2 0 250.390 1.803 10 0 CDAERP COc1cncc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)n1 ZINC000625255484 342053557 /nfs/dbraw/zinc/05/35/57/342053557.db2.gz UILYMVLULICEKB-NSHDSACASA-N 2 0 273.340 1.588 10 0 CDAERP CC(C)(C)NC(=O)C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000591867260 342650560 /nfs/dbraw/zinc/65/05/60/342650560.db2.gz NMMQDXZVFXRWJS-GFCCVEGCSA-N 2 0 264.373 1.435 10 0 CDAERP C[C@@H]1C[NH+](CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H](C)O1 ZINC000157306803 342189688 /nfs/dbraw/zinc/18/96/88/342189688.db2.gz JAXPALGGHPHACY-FPCVCCKLSA-N 2 0 284.444 1.985 10 0 CDAERP CO[C@H](C[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000644926485 361938976 /nfs/dbraw/zinc/93/89/76/361938976.db2.gz DTHRAGNGYCKVKH-OAHLLOKOSA-N 2 0 261.369 1.629 10 0 CDAERP CC1(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)CCC1 ZINC000432938883 539043278 /nfs/dbraw/zinc/04/32/78/539043278.db2.gz MSQIAZZFYUNPJK-UHFFFAOYSA-N 2 0 265.445 1.890 10 0 CDAERP COCC[N@@H+]1CCC[C@@H]1CN[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000339072229 539067340 /nfs/dbraw/zinc/06/73/40/539067340.db2.gz UVJBJBFIFGDZDG-ARFHVFGLSA-N 2 0 281.444 1.314 10 0 CDAERP CCOC(=O)CCCC[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600746534 342247458 /nfs/dbraw/zinc/24/74/58/342247458.db2.gz UTMTXSXXPQPSKR-GASCZTMLSA-N 2 0 268.401 1.651 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000594926793 342973287 /nfs/dbraw/zinc/97/32/87/342973287.db2.gz YQLYUQDDQCMEGT-JHJVBQTASA-N 2 0 254.374 1.260 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000594914252 342967744 /nfs/dbraw/zinc/96/77/44/342967744.db2.gz GRBHCPCXIKWWFL-BPLDGKMQSA-N 2 0 282.428 1.894 10 0 CDAERP C[C@H](C[NH2+][C@H](C)CSCCF)CN1CC[NH+](C)CC1 ZINC000595009899 342989796 /nfs/dbraw/zinc/98/97/96/342989796.db2.gz DVDJZCONBZHQMY-ZIAGYGMSSA-N 2 0 291.480 1.551 10 0 CDAERP CC[NH+](CCC[NH3+])CCCC[N@H+](CC)CCC[NH3+] ZINC000034022005 362051765 /nfs/dbraw/zinc/05/17/65/362051765.db2.gz HCUFAPSHGYTZPM-UHFFFAOYSA-N 4 0 258.454 1.108 10 0 CDAERP COC(=O)[C@H]1C[C@@H]([N@H+](C)CCC2CC[NH2+]CC2)C1 ZINC000595904271 343188222 /nfs/dbraw/zinc/18/82/22/343188222.db2.gz BTAVXIJJCGQWEO-BETUJISGSA-N 2 0 254.374 1.260 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CCC([NH+](C)C)CC2)CC[N@@H+]1C ZINC000631169908 362196369 /nfs/dbraw/zinc/19/63/69/362196369.db2.gz KBAJWHQYWUKJBV-UONOGXRCSA-N 2 0 267.417 1.269 10 0 CDAERP C[C@H]1C[C@@H](Nc2nc(N)[nH+]c3c2CCCC3)C[N@@H+]1C1CC1 ZINC000645187151 362234403 /nfs/dbraw/zinc/23/44/03/362234403.db2.gz FVEZXQQPLGJITL-WDEREUQCSA-N 2 0 287.411 1.227 10 0 CDAERP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000258648727 344408730 /nfs/dbraw/zinc/40/87/30/344408730.db2.gz FVKLXCZISSKZJQ-ZIAGYGMSSA-N 2 0 267.417 1.176 10 0 CDAERP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CCC[N@H+](C)C2)c1 ZINC000607384533 345352941 /nfs/dbraw/zinc/35/29/41/345352941.db2.gz PMNSNKFBVIWBRC-HNNXBMFYSA-N 2 0 275.396 1.572 10 0 CDAERP COC[C@](C)(O)CC[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423148171 293261588 /nfs/dbraw/zinc/26/15/88/293261588.db2.gz URLZFNSMFWVQJY-SOUVJXGZSA-N 2 0 272.433 1.674 10 0 CDAERP C[NH+](C)C1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000194589864 362601890 /nfs/dbraw/zinc/60/18/90/362601890.db2.gz JVFAOGAONFUNJO-UHFFFAOYSA-N 2 0 279.428 1.413 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000623903302 345729920 /nfs/dbraw/zinc/72/99/20/345729920.db2.gz BSSOTGYPVLFVQW-RBSFLKMASA-N 2 0 272.433 1.890 10 0 CDAERP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000608648258 345805211 /nfs/dbraw/zinc/80/52/11/345805211.db2.gz QFWXQOAVMAAYRY-HUUCEWRRSA-N 2 0 296.459 1.596 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000608648570 345805747 /nfs/dbraw/zinc/80/57/47/345805747.db2.gz WZBCDQRBNKHRFG-HNNXBMFYSA-N 2 0 296.459 1.502 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCn2cccn2)CC1(C)C ZINC000623350341 346078192 /nfs/dbraw/zinc/07/81/92/346078192.db2.gz FMWSSTIONJVAHC-ZDUSSCGKSA-N 2 0 250.390 1.736 10 0 CDAERP C[C@](O)(C[NH3+])C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000085304340 179010850 /nfs/dbraw/zinc/01/08/50/179010850.db2.gz URPRNNSBKUPMRU-INIZCTEOSA-N 2 0 262.397 1.651 10 0 CDAERP C[NH+]1CC[C@@H](NC[C@H]2CCC[N@@H+](C)C2)CC1(C)C ZINC000623410999 346250272 /nfs/dbraw/zinc/25/02/72/346250272.db2.gz PKJVDGXKANSWRW-ZIAGYGMSSA-N 2 0 253.434 1.791 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCC[C@@H]1[NH3+])[NH+]1CCCCC1 ZINC000085369645 179039602 /nfs/dbraw/zinc/03/96/02/179039602.db2.gz CTVWGSGQVWAGMI-AGIUHOORSA-N 2 0 253.390 1.104 10 0 CDAERP C[N@@H+]1CC[C@@H](Cn2c3c(nc2C(C)(C)C)C[NH2+]CC3)C1 ZINC000085570435 179096686 /nfs/dbraw/zinc/09/66/86/179096686.db2.gz IZMDANCPWGPJFQ-GFCCVEGCSA-N 2 0 276.428 1.778 10 0 CDAERP C[C@@H]([NH3+])C1(O)CC[NH+]([C@@H]2CCc3ccccc3C2)CC1 ZINC000584637072 346511356 /nfs/dbraw/zinc/51/13/56/346511356.db2.gz RUPAQBBIOPCNCE-CZUORRHYSA-N 2 0 274.408 1.718 10 0 CDAERP C[C@H]([NH3+])C1(O)CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000584637068 346511728 /nfs/dbraw/zinc/51/17/28/346511728.db2.gz RUPAQBBIOPCNCE-BBRMVZONSA-N 2 0 274.408 1.718 10 0 CDAERP Cc1nccn1CC[N@@H+]1CCC[NH2+][C@@H](C(C)(C)C)C1 ZINC000085613732 179102844 /nfs/dbraw/zinc/10/28/44/179102844.db2.gz KKCWNFFRVQMGRV-CQSZACIVSA-N 2 0 264.417 1.902 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC(=O)N(C(C)(C)C)C2)CC1(C)C ZINC000623438350 346756490 /nfs/dbraw/zinc/75/64/90/346756490.db2.gz WNAPXOSKNSTUEY-STQMWFEESA-N 2 0 281.444 1.848 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CC(=O)N(C(C)(C)C)C2)CC1(C)C ZINC000623438347 346756580 /nfs/dbraw/zinc/75/65/80/346756580.db2.gz WNAPXOSKNSTUEY-CHWSQXEVSA-N 2 0 281.444 1.848 10 0 CDAERP C[C@@H]1C[NH2+]CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000306635889 362836149 /nfs/dbraw/zinc/83/61/49/362836149.db2.gz LNSZDSDSGMOZPM-NVXWUHKLSA-N 2 0 273.424 1.802 10 0 CDAERP CCC[C@@H]1CN(C2CC[NH+](CCC)CC2)CC[NH2+]1 ZINC000086144527 179237554 /nfs/dbraw/zinc/23/75/54/179237554.db2.gz MZKIPAIEQMETQL-CQSZACIVSA-N 2 0 253.434 1.935 10 0 CDAERP C[C@@H]1C[NH2+][C@H](Cc2ccccc2)CN1CCC[NH+](C)C ZINC000086153939 179241203 /nfs/dbraw/zinc/24/12/03/179241203.db2.gz MFSYEYRRQILDNJ-NVXWUHKLSA-N 2 0 275.440 1.843 10 0 CDAERP CC[C@H]1C[NH2+][C@](C)(C2CC2)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086182501 179247498 /nfs/dbraw/zinc/24/74/98/179247498.db2.gz UQTHQGQYBPATCJ-BBWFWOEESA-N 2 0 277.456 1.933 10 0 CDAERP C[NH+](C)CCCCN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000086177627 179246759 /nfs/dbraw/zinc/24/67/59/179246759.db2.gz OWCVJURFISGHTC-MRXNPFEDSA-N 2 0 261.413 1.975 10 0 CDAERP CC(C)[C@@H]1C[NH2+]CCN1C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000086177615 179247091 /nfs/dbraw/zinc/24/70/91/179247091.db2.gz SFGPTEXFLDRIPS-CABCVRRESA-N 2 0 253.434 1.647 10 0 CDAERP CC[C@@H](C)[C@@H]1CN(C[C@@H]2CCC[N@H+](C)C2)CC[NH2+]1 ZINC000086145748 179239208 /nfs/dbraw/zinc/23/92/08/179239208.db2.gz BGKLZJIVGXRPLL-KFWWJZLASA-N 2 0 253.434 1.648 10 0 CDAERP CC[C@H]1CN([C@@H]2CCC[N@H+](CC)C2)[C@@H](CC)C[NH2+]1 ZINC000086225433 179252933 /nfs/dbraw/zinc/25/29/33/179252933.db2.gz FRMNASBXUBYIDJ-SOUVJXGZSA-N 2 0 253.434 1.933 10 0 CDAERP C[C@@H]1C[NH2+][C@](C)(C2CC2)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086223936 179253249 /nfs/dbraw/zinc/25/32/49/179253249.db2.gz USWFSJGPMVOUOK-YUELXQCFSA-N 2 0 251.418 1.543 10 0 CDAERP CC(C)C[C@H]1CN([C@@H]2CCC[N@H+](C)C2)[C@@H](C)C[NH2+]1 ZINC000086223979 179253389 /nfs/dbraw/zinc/25/33/89/179253389.db2.gz FGHQHCVLBJEPLG-SOUVJXGZSA-N 2 0 253.434 1.789 10 0 CDAERP CC[C@H]1CNC(C)(C)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086259122 179257786 /nfs/dbraw/zinc/25/77/86/179257786.db2.gz OOMPNMYODUNLGI-AWEZNQCLSA-N 2 0 253.434 1.791 10 0 CDAERP CC[C@@H]1CN(C[C@@H]2CCCC[N@@H+]2C)[C@@H](CC)C[NH2+]1 ZINC000086259364 179258034 /nfs/dbraw/zinc/25/80/34/179258034.db2.gz RUNSBGXTXFITTE-ILXRZTDVSA-N 2 0 253.434 1.933 10 0 CDAERP CC[C@@H]1C[NH2+][C@H](C2CC2)CN1C[C@@H]1CCCC[N@@H+]1C ZINC000086259335 179258197 /nfs/dbraw/zinc/25/81/97/179258197.db2.gz RTMPJYOBKDSZTN-PMPSAXMXSA-N 2 0 265.445 1.933 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2CCO)CC1(C)C ZINC000623497250 347605178 /nfs/dbraw/zinc/60/51/78/347605178.db2.gz CGKDSEPPIQJWKW-HZSPNIEDSA-N 2 0 254.418 2.000 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+][C@H](CO)C2CCOCC2)CC1(C)C ZINC000623489215 347600847 /nfs/dbraw/zinc/60/08/47/347600847.db2.gz VFKTZVNECFHWAB-ZIAGYGMSSA-N 2 0 270.417 1.236 10 0 CDAERP COC[C@](C)(O)CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623535849 347620336 /nfs/dbraw/zinc/62/03/36/347620336.db2.gz GWQJPIXJJBBFSQ-TZMCWYRMSA-N 2 0 258.406 1.236 10 0 CDAERP Cc1cnc(CC[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cn1 ZINC000623544614 347625334 /nfs/dbraw/zinc/62/53/34/347625334.db2.gz BIPWBJKRUDIQGF-ZDUSSCGKSA-N 2 0 262.401 1.790 10 0 CDAERP C[NH+]1CCN(c2cc[nH+]c(NCC(C)(C)O)c2)CC1 ZINC000114700886 349288747 /nfs/dbraw/zinc/28/87/47/349288747.db2.gz LGNKHRUBXNOYBZ-UHFFFAOYSA-N 2 0 264.373 1.016 10 0 CDAERP CCn1cccc1C[NH2+]CCCN1CC[NH+](C)CC1 ZINC000091022870 180088712 /nfs/dbraw/zinc/08/87/12/180088712.db2.gz QDHWNQLXUIHJQG-UHFFFAOYSA-N 2 0 264.417 1.235 10 0 CDAERP [NH3+]CCCOCC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000629536860 362951170 /nfs/dbraw/zinc/95/11/70/362951170.db2.gz GRIMGBLKKAFFCY-UHFFFAOYSA-N 2 0 252.402 1.766 10 0 CDAERP CC[C@@H]([NH2+]CCOCCC[NH3+])c1ccc(F)cn1 ZINC000629535016 362959561 /nfs/dbraw/zinc/95/95/61/362959561.db2.gz BKWPFLUZIPCXDR-GFCCVEGCSA-N 2 0 255.337 1.627 10 0 CDAERP CCO[C@H](C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)C1CC1 ZINC000629534845 362959722 /nfs/dbraw/zinc/95/97/22/362959722.db2.gz CRLRCFBCOYKDCX-HUUCEWRRSA-N 2 0 252.402 1.877 10 0 CDAERP O=S1(=O)Cc2ccccc2[C@@H]([NH2+]CC2CC[NH2+]CC2)C1 ZINC000621776590 350773132 /nfs/dbraw/zinc/77/31/32/350773132.db2.gz PUFYCYJFWOAHJT-HNNXBMFYSA-N 2 0 294.420 1.245 10 0 CDAERP CN1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000629550612 362984845 /nfs/dbraw/zinc/98/48/45/362984845.db2.gz OBFDGHNPXAQDHR-BYNSBNAKSA-N 2 0 251.418 1.591 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000623889931 351320690 /nfs/dbraw/zinc/32/06/90/351320690.db2.gz ZPNWYDXBYAKQGR-KFWWJZLASA-N 2 0 269.433 1.170 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1cc(C)cc(C)c1 ZINC000629569376 363021140 /nfs/dbraw/zinc/02/11/40/363021140.db2.gz ZZRDXAMMUVDURD-UHFFFAOYSA-N 2 0 250.386 1.971 10 0 CDAERP CC(C)(C)O[C@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000629585496 363052857 /nfs/dbraw/zinc/05/28/57/363052857.db2.gz VTJZOVDTIWRAOG-MGPQQGTHSA-N 2 0 270.417 1.379 10 0 CDAERP Cc1nn(C)c(C)c1C[C@H](C)[NH2+]CC1CC[NH2+]CC1 ZINC000569971531 363257265 /nfs/dbraw/zinc/25/72/65/363257265.db2.gz FMYMWHYQHGZFTR-NSHDSACASA-N 2 0 264.417 1.557 10 0 CDAERP C[NH+](C)Cc1cc(C[NH2+]C[C@H](O)C(F)(F)F)ccc1F ZINC000644568373 366185287 /nfs/dbraw/zinc/18/52/87/366185287.db2.gz MRPCBBXRRWHQFF-LBPRGKRZSA-N 2 0 294.292 1.900 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[NH+]2C)C1 ZINC000341013680 283058373 /nfs/dbraw/zinc/05/83/73/283058373.db2.gz KWZBZKVVKUHRIE-GJZGRUSLSA-N 2 0 296.459 1.454 10 0 CDAERP C[C@@H]1C[C@H]([NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CCO1 ZINC000659907927 412611828 /nfs/dbraw/zinc/61/18/28/412611828.db2.gz AZWWZWLZICEFBI-BRWVUGGUSA-N 2 0 295.471 1.656 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCN2CCCC2=O)[C@@H]2CCC[C@@H]21 ZINC000367626268 283135085 /nfs/dbraw/zinc/13/50/85/283135085.db2.gz NSXGXAJRULKWHV-KKUMJFAQSA-N 2 0 279.428 1.461 10 0 CDAERP C[N@@H+]1CC[C@]2(CC[NH+](CCCOCC(F)(F)F)C2)C1 ZINC000367845416 283170421 /nfs/dbraw/zinc/17/04/21/283170421.db2.gz DUVRPQIEHAQDHA-LBPRGKRZSA-N 2 0 280.334 1.983 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634767513 358507304 /nfs/dbraw/zinc/50/73/04/358507304.db2.gz ZUWWWBPTSMULJZ-YDHLFZDLSA-N 2 0 267.417 1.223 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C)CCF ZINC001660408373 1172211049 /nfs/dbraw/zinc/21/10/49/1172211049.db2.gz FOCLWVNAUNNEKI-CYBMUJFWSA-N 2 0 273.396 1.268 10 0 CDAERP C[C@](O)(C[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000634700427 357357128 /nfs/dbraw/zinc/35/71/28/357357128.db2.gz ZUFJNZIEGIVCJT-FZKCQIBNSA-N 2 0 282.428 1.115 10 0 CDAERP CC[C@H](CN1CCCC1)[NH2+]C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000634704621 357381763 /nfs/dbraw/zinc/38/17/63/357381763.db2.gz MYTSZQRBYCOXEN-BZUAXINKSA-N 2 0 284.444 1.362 10 0 CDAERP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2CC[C@@H]2C2CCC2)C1 ZINC000337986109 283319357 /nfs/dbraw/zinc/31/93/57/283319357.db2.gz HOKWMNODFIINQN-BZUAXINKSA-N 2 0 293.455 1.742 10 0 CDAERP O=C(N[C@@H]1CC12CC[NH2+]CC2)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000368648839 358151191 /nfs/dbraw/zinc/15/11/91/358151191.db2.gz XYURECBZJPSAPT-XDQVBPFNSA-N 2 0 277.412 1.165 10 0 CDAERP [NH3+]C1(CNC(=O)CC[C@H]2CC[NH2+]C2)CCCCCC1 ZINC000261894896 359080967 /nfs/dbraw/zinc/08/09/67/359080967.db2.gz ULMLAZCHPCQWBV-ZDUSSCGKSA-N 2 0 267.417 1.544 10 0 CDAERP Cc1cc(CN2CCN(C[C@@]3(C)CC[NH2+]C3)CC2)no1 ZINC000262028267 359123829 /nfs/dbraw/zinc/12/38/29/359123829.db2.gz NSFRYIVSSILKBX-HNNXBMFYSA-N 2 0 278.400 1.100 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N(CCC[NH3+])Cc2ccccc2)CC[NH2+]1 ZINC000262483671 359173069 /nfs/dbraw/zinc/17/30/69/359173069.db2.gz SBUFUHBLYZWQCM-HOCLYGCPSA-N 2 0 289.423 1.752 10 0 CDAERP O=C(CN1CCC[C@]2(CC[NH2+]C2)C1)NC1CCCC1 ZINC000334980847 359333905 /nfs/dbraw/zinc/33/39/05/359333905.db2.gz ONASLHHWORSHPP-OAHLLOKOSA-N 2 0 265.401 1.121 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCOC[C@@H]2CCCO2)[C@H]2CCC[C@H]21 ZINC000572468956 359566992 /nfs/dbraw/zinc/56/69/92/359566992.db2.gz YNEBFRCHJRIGDH-XUWVNRHRSA-N 2 0 282.428 1.644 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000252201978 140318542 /nfs/dbraw/zinc/31/85/42/140318542.db2.gz UGRHZQRILWRANE-RDBSUJKOSA-N 2 0 267.417 1.495 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCc1ccc(C)cc1 ZINC000422976924 359693285 /nfs/dbraw/zinc/69/32/85/359693285.db2.gz DYKWBXKHTSNPJM-HNNXBMFYSA-N 2 0 250.386 1.881 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](CO)c1ccccc1 ZINC000423004302 359734668 /nfs/dbraw/zinc/73/46/68/359734668.db2.gz JPXQSOZJVNMLIV-HUUCEWRRSA-N 2 0 266.385 1.106 10 0 CDAERP Cc1nccn1CC[N@@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000336704264 359737738 /nfs/dbraw/zinc/73/77/38/359737738.db2.gz IXXDUGIIDWZVNO-OCCSQVGLSA-N 3 0 250.390 1.606 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423401386 359773011 /nfs/dbraw/zinc/77/30/11/359773011.db2.gz QVYRCVSOHYLFSX-OLMNGRFOSA-N 2 0 265.445 1.885 10 0 CDAERP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NCCC[NH3+])C1 ZINC000637363400 359789122 /nfs/dbraw/zinc/78/91/22/359789122.db2.gz WMWQYGRPESHTOL-HNNXBMFYSA-N 2 0 290.411 1.251 10 0 CDAERP C[C@H](NCC[N@H+]1[C@H](C)CCC[C@@H]1C)[C@H]1CCC[NH2+]1 ZINC000422890479 299298247 /nfs/dbraw/zinc/29/82/47/299298247.db2.gz SKMQVGNANLWLPK-LJISPDSOSA-N 2 0 253.434 1.979 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)CC2([NH3+])CCC2)CC[N@@H+]1C ZINC000237584931 359945914 /nfs/dbraw/zinc/94/59/14/359945914.db2.gz UMRJJWCVDVAISO-VXGBXAGGSA-N 2 0 253.390 1.199 10 0 CDAERP C[NH+](C)[C@H]1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)C1 ZINC000062972284 360037555 /nfs/dbraw/zinc/03/75/55/360037555.db2.gz OTZRNEMUXIWUGG-UONOGXRCSA-N 2 0 261.369 1.239 10 0 CDAERP O=C(c1ccc2c(c1)CC[NH2+]CC2)N1CCC2(CC[NH2+]2)CC1 ZINC000335405237 360225372 /nfs/dbraw/zinc/22/53/72/360225372.db2.gz DGNNZHMRVMJBCX-UHFFFAOYSA-N 2 0 299.418 1.343 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000094647588 360277393 /nfs/dbraw/zinc/27/73/93/360277393.db2.gz RCLYCETZPQVLEJ-BFHYXJOUSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000335471220 360328180 /nfs/dbraw/zinc/32/81/80/360328180.db2.gz QPKFDGZEZNGSEG-RISCZKNCSA-N 2 0 261.369 1.310 10 0 CDAERP C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000335471218 360328318 /nfs/dbraw/zinc/32/83/18/360328318.db2.gz QPKFDGZEZNGSEG-BXUZGUMPSA-N 2 0 261.369 1.310 10 0 CDAERP Fc1ccc([C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)c2cnn[nH]2)cc1 ZINC000514930508 360403011 /nfs/dbraw/zinc/40/30/11/360403011.db2.gz MJMNZIPLQXYXOI-NHYWBVRUSA-N 2 0 289.358 1.622 10 0 CDAERP C(C1CCN(CC23CC(C2)C[NH2+]3)CC1)[NH+]1CCCC1 ZINC000634991337 360616696 /nfs/dbraw/zinc/61/66/96/360616696.db2.gz ACWORMRZFIFEBK-UHFFFAOYSA-N 2 0 263.429 1.546 10 0 CDAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC2(C)CCCCC2)CC1 ZINC000516454093 360604633 /nfs/dbraw/zinc/60/46/33/360604633.db2.gz MWDLUZBQVKXDCR-HNNXBMFYSA-N 2 0 283.460 1.155 10 0 CDAERP C(N1CCC[C@H]([NH+]2CCCC2)CC1)C12CC(C1)C[NH2+]2 ZINC000634993300 360627201 /nfs/dbraw/zinc/62/72/01/360627201.db2.gz PYIPAVJFNFFOQO-PCKAHOCUSA-N 2 0 263.429 1.689 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000626920487 360637345 /nfs/dbraw/zinc/63/73/45/360637345.db2.gz BVARPXYTUVAREZ-TUAOUCFPSA-N 2 0 296.440 1.400 10 0 CDAERP Nc1nccc([C@H]2CCC[N@H+](CCCn3ccnc3)C2)n1 ZINC000365985771 360770924 /nfs/dbraw/zinc/77/09/24/360770924.db2.gz DGJDEOGWYCVTOQ-ZDUSSCGKSA-N 2 0 286.383 1.355 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@H](C[NH3+])C1CC1 ZINC000564726261 360898106 /nfs/dbraw/zinc/89/81/06/360898106.db2.gz MLTGZNQIWBVRRL-CHWSQXEVSA-N 2 0 253.390 1.104 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000349875942 360956912 /nfs/dbraw/zinc/95/69/12/360956912.db2.gz MDSIRMVXCXRXGD-ZFWWWQNUSA-N 2 0 296.459 1.595 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC1CC[NH+](C)CC1 ZINC000338925658 361136680 /nfs/dbraw/zinc/13/66/80/361136680.db2.gz NJIFWCJZMGTOIJ-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@@H]1C[N@H+](C)C[C@@H]1NCCC[NH+]1CCCO[C@H](C)C1 ZINC000432361727 361155263 /nfs/dbraw/zinc/15/52/63/361155263.db2.gz ZFJINRCNXRBQON-KFWWJZLASA-N 2 0 269.433 1.027 10 0 CDAERP C[N@H+](CCNc1cc[nH+]cc1C(N)=O)C1CCCCC1 ZINC000520467636 361522289 /nfs/dbraw/zinc/52/22/89/361522289.db2.gz XYIUOHZAENSLAA-UHFFFAOYSA-N 2 0 276.384 1.279 10 0 CDAERP CC[NH2+]CCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000417949652 361603587 /nfs/dbraw/zinc/60/35/87/361603587.db2.gz VLSABBBZVSUZSO-GJZGRUSLSA-N 2 0 290.411 1.341 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)C1 ZINC000566457900 370735214 /nfs/dbraw/zinc/73/52/14/370735214.db2.gz VVXRQHCNDUQRCS-GOEBONIOSA-N 2 0 279.428 1.273 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CCCSCC1)CN1CC[NH+](C)CC1 ZINC000657868630 482906230 /nfs/dbraw/zinc/90/62/30/482906230.db2.gz CEWTUXQSUFRVTR-HUUCEWRRSA-N 2 0 285.501 1.745 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000251738032 366875193 /nfs/dbraw/zinc/87/51/93/366875193.db2.gz KRLUOTWEWCJPPV-ILXRZTDVSA-N 2 0 279.428 1.461 10 0 CDAERP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000414791271 241389960 /nfs/dbraw/zinc/38/99/60/241389960.db2.gz BDNAJQWUJRFGNU-ZBFHGGJFSA-N 2 0 285.395 1.874 10 0 CDAERP Cn1c2ccc(C[NH2+]CC[C@@H]3CC[NH2+]C3)cc2sc1=O ZINC000414832672 367090802 /nfs/dbraw/zinc/09/08/02/367090802.db2.gz OOJWMHHLNGSMHD-NSHDSACASA-N 2 0 291.420 1.689 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000626991196 367182245 /nfs/dbraw/zinc/18/22/45/367182245.db2.gz CKZKDBGVFIATKR-CYBMUJFWSA-N 2 0 282.432 1.302 10 0 CDAERP CC1(C)[C@@H]2C[N@@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)C[C@@H]21 ZINC000357774744 367198993 /nfs/dbraw/zinc/19/89/93/367198993.db2.gz UYFJEEXOEXEGTB-GASCZTMLSA-N 2 0 291.439 1.317 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000627012209 367235985 /nfs/dbraw/zinc/23/59/85/367235985.db2.gz UXKNOEDJMOZPBY-FPMFFAJLSA-N 2 0 280.416 1.077 10 0 CDAERP C[C@H](CCNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)[NH+]1CCCCC1 ZINC000627013428 367237282 /nfs/dbraw/zinc/23/72/82/367237282.db2.gz LTJLROVLWRLPNX-RBSFLKMASA-N 2 0 296.459 1.691 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000627020532 367243925 /nfs/dbraw/zinc/24/39/25/367243925.db2.gz IJACSSUTMUBJRO-SOUVJXGZSA-N 2 0 294.443 1.443 10 0 CDAERP C[C@]1(CN2CCC[C@H]2C[NH+]2CCCC2)CC[NH2+]C1 ZINC000262106124 291380600 /nfs/dbraw/zinc/38/06/00/291380600.db2.gz VYLIHEVBWYKHTJ-GJZGRUSLSA-N 2 0 251.418 1.546 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627042392 367292946 /nfs/dbraw/zinc/29/29/46/367292946.db2.gz ZTCRRMHRHCSQSX-RDBSUJKOSA-N 2 0 284.448 1.547 10 0 CDAERP COc1c(C)cnc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c1C ZINC000630076489 367298807 /nfs/dbraw/zinc/29/88/07/367298807.db2.gz JRNXAKYQOWCMLO-YPMHNXCESA-N 2 0 263.385 1.734 10 0 CDAERP CCN(CC[NH3+])C(=O)NCC1([NH3+])CCCCCC1 ZINC000627062417 367321811 /nfs/dbraw/zinc/32/18/11/367321811.db2.gz FZTPYQHQCQZVRF-UHFFFAOYSA-N 2 0 256.394 1.028 10 0 CDAERP CC(C)C[C@H](C[NH3+])NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627080155 367377937 /nfs/dbraw/zinc/37/79/37/367377937.db2.gz IXNPDELOVUAOQG-YUELXQCFSA-N 2 0 282.432 1.001 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)NCC[NH2+]C2CCCCCC2)C[NH2+]1 ZINC000627080967 367382099 /nfs/dbraw/zinc/38/20/99/367382099.db2.gz UFGDXZWAPYOIDJ-HIFRSBDPSA-N 2 0 296.459 1.739 10 0 CDAERP CC(C)[NH2+][C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001661183067 1172349732 /nfs/dbraw/zinc/34/97/32/1172349732.db2.gz QWXXJJRSSWNHOA-OCCSQVGLSA-N 2 0 267.417 1.221 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000627166647 367600095 /nfs/dbraw/zinc/60/00/95/367600095.db2.gz HYQHXFXHCBMFHQ-QLFBSQMISA-N 2 0 296.459 1.643 10 0 CDAERP C[C@@H](NC(=O)NCCC[N@H+](C)Cc1ccccc1)[C@H](C)[NH3+] ZINC000416873418 242202581 /nfs/dbraw/zinc/20/25/81/242202581.db2.gz NQNFKMOZKINGER-UONOGXRCSA-N 2 0 292.427 1.543 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000417017733 242271184 /nfs/dbraw/zinc/27/11/84/242271184.db2.gz PBIXBRSLKOFXAL-WCFLWFBJSA-N 2 0 296.440 1.482 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000366601877 367646102 /nfs/dbraw/zinc/64/61/02/367646102.db2.gz QJGQIHWBCVNJEM-DZGCQCFKSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000417276353 242395686 /nfs/dbraw/zinc/39/56/86/242395686.db2.gz DRECFUYJPGRTIZ-QWHCGFSZSA-N 2 0 270.421 1.095 10 0 CDAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627200667 367691848 /nfs/dbraw/zinc/69/18/48/367691848.db2.gz SWARQZXVGCHSCH-TUVASFSCSA-N 2 0 294.443 1.395 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC000576290848 317112140 /nfs/dbraw/zinc/11/21/40/317112140.db2.gz QXNRAEWDKRWWHD-KGLIPLIRSA-N 2 0 267.417 1.319 10 0 CDAERP COc1cc(C)nc(CN[C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000414861378 367825296 /nfs/dbraw/zinc/82/52/96/367825296.db2.gz WMNLRMDLTBEFPP-QWHCGFSZSA-N 2 0 263.385 1.876 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)NCC[C@@H]2CC[NH2+]C2)cc1 ZINC000418346621 242966325 /nfs/dbraw/zinc/96/63/25/242966325.db2.gz UVWXRROVNUOEFY-JSGCOSHPSA-N 2 0 290.411 1.505 10 0 CDAERP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418405021 243035935 /nfs/dbraw/zinc/03/59/35/243035935.db2.gz ASABMYJSZKRIJU-NWANDNLSSA-N 2 0 290.411 1.598 10 0 CDAERP [NH3+]C[C@H](NC(=O)NC[C@@H]([NH3+])c1ccccc1)C1CCCC1 ZINC000418449816 243091905 /nfs/dbraw/zinc/09/19/05/243091905.db2.gz KTNAQRJMOIFPBD-CABCVRRESA-N 2 0 290.411 1.503 10 0 CDAERP [NH3+]C[C@@H](NC(=O)NC[C@H]([NH3+])c1ccccc1)C1CCCC1 ZINC000418449819 243092553 /nfs/dbraw/zinc/09/25/53/243092553.db2.gz KTNAQRJMOIFPBD-LSDHHAIUSA-N 2 0 290.411 1.503 10 0 CDAERP C[C@H](CCC[NH3+])NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000418683442 243336823 /nfs/dbraw/zinc/33/68/23/243336823.db2.gz BHOKZYHMJCIOQX-HUUCEWRRSA-N 2 0 296.459 1.774 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000361842897 369068145 /nfs/dbraw/zinc/06/81/45/369068145.db2.gz KNDLXPSROBFCIO-UYTSQGDYSA-N 2 0 293.455 1.992 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](OC)[C@@H]2CCOC2)[C@H](C)C1 ZINC000660081557 412774334 /nfs/dbraw/zinc/77/43/34/412774334.db2.gz ICDBFNYDPSJFPK-WCVJEAGWSA-N 2 0 284.444 1.700 10 0 CDAERP CC1CC[NH+](CCNC(=O)N2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000170829643 369499072 /nfs/dbraw/zinc/49/90/72/369499072.db2.gz BGMJMJDTUZGJOB-CQSZACIVSA-N 2 0 282.432 1.064 10 0 CDAERP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000079253690 369816041 /nfs/dbraw/zinc/81/60/41/369816041.db2.gz OEHMDFOULDISOX-KBPBESRZSA-N 2 0 296.459 1.500 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)[N@H+](C)C1CC1 ZINC000246544924 370080023 /nfs/dbraw/zinc/08/00/23/370080023.db2.gz SOZGEVACIHKALR-GBOPCIDUSA-N 2 0 279.428 1.506 10 0 CDAERP COCC[NH2+]C1CC[NH+](CC2CCOCC2)CC1 ZINC000565060651 370343041 /nfs/dbraw/zinc/34/30/41/370343041.db2.gz DWLZXVHWCOJAOM-UHFFFAOYSA-N 2 0 256.390 1.113 10 0 CDAERP C[C@H]([NH3+])[C@H](C)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000389851070 370427531 /nfs/dbraw/zinc/42/75/31/370427531.db2.gz VRARPULICQXOCI-YXWQFLTLSA-N 2 0 261.413 1.832 10 0 CDAERP [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000418283793 370467454 /nfs/dbraw/zinc/46/74/54/370467454.db2.gz LIMCOAQLKKRSNY-CHWSQXEVSA-N 2 0 282.432 1.465 10 0 CDAERP CC1(C)NC(=O)CC[C@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000340475849 371074747 /nfs/dbraw/zinc/07/47/47/371074747.db2.gz BJJYACCCWODYMN-CQSZACIVSA-N 2 0 281.444 1.899 10 0 CDAERP CC[C@@H]1CCC[C@H]1C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000567697929 371106474 /nfs/dbraw/zinc/10/64/74/371106474.db2.gz QINNDJKZYVKBIP-PMPSAXMXSA-N 2 0 283.460 1.011 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000422777861 245244155 /nfs/dbraw/zinc/24/41/55/245244155.db2.gz GKLGSWBWIANERQ-FQUUOJAGSA-N 2 0 270.417 1.534 10 0 CDAERP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000377736635 371673670 /nfs/dbraw/zinc/67/36/70/371673670.db2.gz KJPUTKWUZPTMNX-CZUORRHYSA-N 2 0 299.434 1.752 10 0 CDAERP CO[C@H](C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)C1CCC1 ZINC000660119199 412795134 /nfs/dbraw/zinc/79/51/34/412795134.db2.gz YYRLWADYMRYZRC-YYIAUSFCSA-N 2 0 296.455 1.985 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCOc1ccc(Cl)cn1 ZINC000422930749 245415815 /nfs/dbraw/zinc/41/58/15/245415815.db2.gz VTHDIVPPUAGEFP-LBPRGKRZSA-N 2 0 287.791 1.457 10 0 CDAERP C[C@@H]1C[C@]2(C[NH+]=C(N)N2C)C[N@@H+]1Cc1ccccc1 ZINC000307603367 373058480 /nfs/dbraw/zinc/05/84/80/373058480.db2.gz ZRIKOOVKWPKNND-DOMZBBRYSA-N 2 0 258.369 1.280 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CN1CCN(C[C@@H]2CCC=CO2)CC1 ZINC000191075972 373442234 /nfs/dbraw/zinc/44/22/34/373442234.db2.gz IKHHBTBSVBSABV-IRXDYDNUSA-N 2 0 293.455 1.781 10 0 CDAERP CO[C@H](C[N@H+](C)CCN(C)C1CC[NH+](C)CC1)C1CCC1 ZINC000660139347 412813201 /nfs/dbraw/zinc/81/32/01/412813201.db2.gz SVPUYURJISFVBD-QGZVFWFLSA-N 2 0 297.487 1.759 10 0 CDAERP c1nc2n(n1)[C@H](C[N@@H+]1CCC[C@@H]([C@@H]3CCC[NH2+]3)C1)CC2 ZINC000631823222 373706070 /nfs/dbraw/zinc/70/60/70/373706070.db2.gz ZARCTPVGXKTQDP-RDBSUJKOSA-N 2 0 275.400 1.229 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)CC2(C[NH3+])CC2)CC1 ZINC000423754541 246033053 /nfs/dbraw/zinc/03/30/53/246033053.db2.gz YYMJDUZCCPNEOY-UHFFFAOYSA-N 2 0 267.417 1.352 10 0 CDAERP CC(C)[C@H](CNC(=O)NC/C=C\C[NH3+])[NH+]1CCC(C)CC1 ZINC000669279347 541936693 /nfs/dbraw/zinc/93/66/93/541936693.db2.gz AVENYBWADPNHEM-XVWMLYKFSA-N 2 0 296.459 1.557 10 0 CDAERP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(n2cncn2)CC1 ZINC000125059698 374884964 /nfs/dbraw/zinc/88/49/64/374884964.db2.gz AFKYVASZFISYGH-ZDUSSCGKSA-N 2 0 263.389 1.399 10 0 CDAERP C[C@H]([NH3+])C(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638851723 375092196 /nfs/dbraw/zinc/09/21/96/375092196.db2.gz QNANICNTGNHIFX-GOEBONIOSA-N 2 0 289.423 1.895 10 0 CDAERP C[N@@H+]1CCCC12CCN(CC(=O)NC(C)(C)C)CC2 ZINC000334436280 375378506 /nfs/dbraw/zinc/37/85/06/375378506.db2.gz GMUVEUYBCBLNJA-UHFFFAOYSA-N 2 0 267.417 1.461 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000417328105 375782506 /nfs/dbraw/zinc/78/25/06/375782506.db2.gz LPHJWQQXXJMETN-XUXIUFHCSA-N 2 0 282.432 1.238 10 0 CDAERP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000417328097 375783271 /nfs/dbraw/zinc/78/32/71/375783271.db2.gz LPHJWQQXXJMETN-CRWXNKLISA-N 2 0 282.432 1.238 10 0 CDAERP CC1CC[NH+](CC(=O)NCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000136166948 375756986 /nfs/dbraw/zinc/75/69/86/375756986.db2.gz VGAGEHONGOSGQG-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP c1ccc(CN2CCC[C@@H](NC3=[NH+]CCCN3)C2)cc1 ZINC000306790259 375795058 /nfs/dbraw/zinc/79/50/58/375795058.db2.gz VCJBETMTZWCZER-OAHLLOKOSA-N 2 0 272.396 1.590 10 0 CDAERP CS[C@@H]1CC[C@@H]1[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000425333766 376307299 /nfs/dbraw/zinc/30/72/99/376307299.db2.gz FQLJUDLEWNGCGN-HZSPNIEDSA-N 2 0 271.474 1.496 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000638975997 376322707 /nfs/dbraw/zinc/32/27/07/376322707.db2.gz RVOHKDWCSCULPG-RYUDHWBXSA-N 2 0 255.406 1.303 10 0 CDAERP Cc1ncc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)cn1 ZINC000344637496 376619044 /nfs/dbraw/zinc/61/90/44/376619044.db2.gz HHFCODOXCKAUBR-UHFFFAOYSA-N 2 0 278.400 1.110 10 0 CDAERP CCc1noc(C)c1CNCc1cnc(N(C)C)n1C ZINC000425367726 376969234 /nfs/dbraw/zinc/96/92/34/376969234.db2.gz IPHLJJAWAZCLFS-UHFFFAOYSA-N 2 0 277.372 1.635 10 0 CDAERP CC(C)(C)OC[C@H](O)CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246952457 377022930 /nfs/dbraw/zinc/02/29/30/377022930.db2.gz PALBBRGGJUDQJU-LSDHHAIUSA-N 2 0 284.444 1.580 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000417446378 377191507 /nfs/dbraw/zinc/19/15/07/377191507.db2.gz KZACEWDNASGURI-AVGNSLFASA-N 2 0 270.421 1.014 10 0 CDAERP CCC[NH+](CCC)CCCNC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000417470115 377374857 /nfs/dbraw/zinc/37/48/57/377374857.db2.gz RLRCZHNRSPVJAI-CABCVRRESA-N 2 0 298.475 1.796 10 0 CDAERP C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000334937101 377708225 /nfs/dbraw/zinc/70/82/25/377708225.db2.gz UEMJEOBHXYEELT-QWHCGFSZSA-N 2 0 282.432 1.417 10 0 CDAERP C[C@@]1(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)CC[NH2+]C1 ZINC000261754448 377898889 /nfs/dbraw/zinc/89/88/89/377898889.db2.gz KKVVMHCATGYINR-MRXNPFEDSA-N 3 0 281.444 1.030 10 0 CDAERP CC[C@](C)(O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662324839 412892535 /nfs/dbraw/zinc/89/25/35/412892535.db2.gz YVCSOXJOIPBGGJ-KGLIPLIRSA-N 2 0 258.406 1.190 10 0 CDAERP CC[NH+]1CCC(NC(=O)C[N@H+](C)C[C@@H]2CC=CCC2)CC1 ZINC000344043252 379079850 /nfs/dbraw/zinc/07/98/50/379079850.db2.gz IHMBARBDDVZURO-OAHLLOKOSA-N 2 0 293.455 1.875 10 0 CDAERP CCN(C(=O)N[C@H](C)CC[NH+](C)C)[C@H]1CC[N@H+](CC)C1 ZINC000663849574 412911740 /nfs/dbraw/zinc/91/17/40/412911740.db2.gz KWLKLMHDGVFLOW-KGLIPLIRSA-N 2 0 284.448 1.452 10 0 CDAERP CC(C)[C@H]1CN(C(=O)[C@@H]2C[C@]23CCC[NH2+]C3)CC[N@@H+]1C ZINC000634300659 379359549 /nfs/dbraw/zinc/35/95/49/379359549.db2.gz HAOWBNVUZJBANF-LZWOXQAQSA-N 2 0 279.428 1.175 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)C1 ZINC000655922115 412925596 /nfs/dbraw/zinc/92/55/96/412925596.db2.gz ZXLYCUSPEBDULI-VHSXEESVSA-N 2 0 296.337 1.002 10 0 CDAERP CCN(C(=O)NCC[NH+](CC)C1CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000663920028 412955054 /nfs/dbraw/zinc/95/50/54/412955054.db2.gz KQADXKVZUJTCGZ-OAHLLOKOSA-N 2 0 296.459 1.596 10 0 CDAERP CCC[NH2+][C@](C)(CO)C[C@@H](C)N1CC[NH+](CC)CC1 ZINC000085217694 184605210 /nfs/dbraw/zinc/60/52/10/184605210.db2.gz PGCNNVOJKCQJBV-CABCVRRESA-N 2 0 271.449 1.153 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000655962740 412966272 /nfs/dbraw/zinc/96/62/72/412966272.db2.gz CBTGEXYSXIRMJQ-IGQOVBAYSA-N 2 0 282.432 1.143 10 0 CDAERP COCCN1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000422711248 285028953 /nfs/dbraw/zinc/02/89/53/285028953.db2.gz MLGDMMFPAUFVPB-RRFJBIMHSA-N 2 0 269.433 1.204 10 0 CDAERP CCN(C(=O)NCCC1CC[NH+](C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000663982288 412995015 /nfs/dbraw/zinc/99/50/15/412995015.db2.gz BMALNCUMYJRIMQ-HNNXBMFYSA-N 2 0 296.459 1.454 10 0 CDAERP CC(C)([NH3+])c1cc(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])on1 ZINC000662423042 412999114 /nfs/dbraw/zinc/99/91/14/412999114.db2.gz MMTKAINBYSGTBE-NXEZZACHSA-N 2 0 280.372 1.116 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)NCCC1(C[NH3+])CC1 ZINC000653349119 413021875 /nfs/dbraw/zinc/02/18/75/413021875.db2.gz ARWYOECLDIYLQA-ZDUSSCGKSA-N 2 0 267.417 1.496 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)[C@H](C)[NH+](C)C)CC1 ZINC000674288735 483223138 /nfs/dbraw/zinc/22/31/38/483223138.db2.gz LWPMWDCIESEXFY-LBPRGKRZSA-N 2 0 255.406 1.175 10 0 CDAERP CC[C@@H](CO)[N@H+](C)C[C@H](O)CN(C)Cc1ccccc1 ZINC000647026131 390364522 /nfs/dbraw/zinc/36/45/22/390364522.db2.gz QCXLJNQCTDEUKE-JKSUJKDBSA-N 2 0 280.412 1.182 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[C@@H]2C[NH+](C)C[C@H]21 ZINC000646934543 390309638 /nfs/dbraw/zinc/30/96/38/390309638.db2.gz VACIDMNJTPBBOL-XJFOESAGSA-N 2 0 265.401 1.022 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](C)c1nc(C)cs1 ZINC000423036848 285373232 /nfs/dbraw/zinc/37/32/32/285373232.db2.gz LWFLSKYDSMHOPY-PWSUYJOCSA-N 2 0 271.430 1.899 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000422777863 285373994 /nfs/dbraw/zinc/37/39/94/285373994.db2.gz GKLGSWBWIANERQ-REWJHTLYSA-N 2 0 270.417 1.534 10 0 CDAERP CC1(C)C[NH2+][C@@H]1C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000648199139 390949624 /nfs/dbraw/zinc/94/96/24/390949624.db2.gz VTHQOYCQGZLSHP-UONOGXRCSA-N 2 0 273.380 1.069 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[NH2+]C23CCCC3)CC[NH2+]1 ZINC000648210004 390952689 /nfs/dbraw/zinc/95/26/89/390952689.db2.gz HKOFEEXVXSZCNQ-RWMBFGLXSA-N 2 0 265.401 1.165 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000181124763 390913798 /nfs/dbraw/zinc/91/37/98/390913798.db2.gz ISUJOEVOLFKLHD-CVEARBPZSA-N 2 0 283.460 1.512 10 0 CDAERP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cc2n(n1)CCCC2 ZINC000647289999 390921443 /nfs/dbraw/zinc/92/14/43/390921443.db2.gz RYRVDQOUBHEQMP-CYBMUJFWSA-N 2 0 292.427 1.327 10 0 CDAERP C[C@H](CC(=O)N1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CCC[NH2+]C1 ZINC000248034837 390932701 /nfs/dbraw/zinc/93/27/01/390932701.db2.gz RJVZZXUQQBYKCG-ILXRZTDVSA-N 2 0 279.428 1.319 10 0 CDAERP c1c(CC[NH2+][C@H]2CCC[NH2+]CC2)nc2ccccn12 ZINC000415106694 391031294 /nfs/dbraw/zinc/03/12/94/391031294.db2.gz NDJQXDYUXNZDQS-ZDUSSCGKSA-N 2 0 258.369 1.609 10 0 CDAERP Cc1nn(C)c(C)c1C[C@H](C)[NH2+]C[C@@H]([NH3+])CC(C)C ZINC000415096913 391021539 /nfs/dbraw/zinc/02/15/39/391021539.db2.gz BZPDSEWPNHEFIW-FZMZJTMJSA-N 2 0 266.433 1.931 10 0 CDAERP c1cncc(CNCCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647546499 390990311 /nfs/dbraw/zinc/99/03/11/390990311.db2.gz MNTPXJSKGAMLLI-YESZJQIVSA-N 2 0 288.439 1.539 10 0 CDAERP CN(C(=O)C1CC[NH+](C2CC2)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000338823441 391225773 /nfs/dbraw/zinc/22/57/73/391225773.db2.gz WHKVFALTECNSKR-MRXNPFEDSA-N 2 0 291.439 1.556 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000418346736 391351185 /nfs/dbraw/zinc/35/11/85/391351185.db2.gz COXCOVIFOQPGAF-BNOWGMLFSA-N 2 0 282.432 1.191 10 0 CDAERP C[C@@H]1CC[C@]2(CC[N@H+](C[C@@H]3CCCN(C(=O)C[NH3+])C3)C2)C1 ZINC000414719430 391352918 /nfs/dbraw/zinc/35/29/18/391352918.db2.gz YQIWRJQJUFGLGO-VYDXJSESSA-N 2 0 293.455 1.696 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000418362264 391411123 /nfs/dbraw/zinc/41/11/23/391411123.db2.gz HOBKMUQJXQDXJY-MCIONIFRSA-N 2 0 282.432 1.110 10 0 CDAERP C(C[C@@H]1CCC[NH2+]C1)[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000414832645 391392838 /nfs/dbraw/zinc/39/28/38/391392838.db2.gz FJGAPVWSPJGXGU-ZJIFWQFVSA-N 3 0 265.445 1.886 10 0 CDAERP O=C(C[C@H]1CC[NH2+]C1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000190148195 391439436 /nfs/dbraw/zinc/43/94/36/391439436.db2.gz DXLUHBVMRBKDHD-CQSZACIVSA-N 2 0 279.428 1.463 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)CC1 ZINC000417392467 391477073 /nfs/dbraw/zinc/47/70/73/391477073.db2.gz PCZVCGSMOKESJE-ZIAGYGMSSA-N 2 0 296.459 1.500 10 0 CDAERP CS[C@@H]1CC[C@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000425354370 391483269 /nfs/dbraw/zinc/48/32/69/391483269.db2.gz NQTJSLUUZPOKJE-ZIAGYGMSSA-N 2 0 271.474 1.496 10 0 CDAERP CS[C@H]1CC[C@H]1[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000425355384 391483422 /nfs/dbraw/zinc/48/34/22/391483422.db2.gz ONCPYECQDJUHTO-CABCVRRESA-N 2 0 285.501 1.744 10 0 CDAERP CCC[C@@](C)([NH3+])C(=O)NC[C@@H]([NH3+])c1ccccc1CC ZINC000417825404 391490761 /nfs/dbraw/zinc/49/07/61/391490761.db2.gz CIJNVFSCTWIVAO-GDBMZVCRSA-N 2 0 277.412 1.883 10 0 CDAERP CS[C@@H]1CC[C@@H]1[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000425362904 391485338 /nfs/dbraw/zinc/48/53/38/391485338.db2.gz VUZHORBQTXDLNT-MELADBBJSA-N 2 0 271.474 1.354 10 0 CDAERP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000348103114 391415702 /nfs/dbraw/zinc/41/57/02/391415702.db2.gz MBDXSQZNLJQPRS-BFHYXJOUSA-N 2 0 254.418 1.857 10 0 CDAERP CC(=O)CC[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000103481240 391522058 /nfs/dbraw/zinc/52/20/58/391522058.db2.gz PWTLVAULTAKZIK-GASCZTMLSA-N 2 0 282.428 1.787 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000417531448 391642819 /nfs/dbraw/zinc/64/28/19/391642819.db2.gz JOOGDSMXLIAVKD-IIAWOOMASA-N 2 0 296.459 1.630 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCCC[NH2+]C1CC1 ZINC000417531972 391642982 /nfs/dbraw/zinc/64/29/82/391642982.db2.gz KEFAQVVEVPFVPA-KBPBESRZSA-N 2 0 296.459 1.691 10 0 CDAERP C[C@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+](C)C1CC1 ZINC000417551190 391652488 /nfs/dbraw/zinc/65/24/88/391652488.db2.gz NMJSGDLCLGTGNT-DPORPMIOSA-N 2 0 294.443 1.394 10 0 CDAERP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCC[NH3+] ZINC000417556377 391657396 /nfs/dbraw/zinc/65/73/96/391657396.db2.gz OGRKISGODWQIDE-CYBMUJFWSA-N 2 0 270.421 1.289 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000335410642 391704114 /nfs/dbraw/zinc/70/41/14/391704114.db2.gz RCDVGIJOXAEGCR-QWHCGFSZSA-N 2 0 253.390 1.070 10 0 CDAERP COC(=O)COc1ccc(CN[C@@H]2CCCC[NH2+]C2)cc1 ZINC000415064283 391741110 /nfs/dbraw/zinc/74/11/10/391741110.db2.gz CGIVTHNIMVIDQN-CQSZACIVSA-N 2 0 292.379 1.470 10 0 CDAERP COc1c(C[NH2+][C@@H](C)CCCC[NH3+])c(C)nn1C ZINC000415019464 391724990 /nfs/dbraw/zinc/72/49/90/391724990.db2.gz WAUIIDAPVBRNJK-JTQLQIEISA-N 2 0 254.378 1.344 10 0 CDAERP CC[NH+]1CCC(N2CCC[N@H+](CCSC)CC2)CC1 ZINC000420985790 391780730 /nfs/dbraw/zinc/78/07/30/391780730.db2.gz WVTPPPQDXIBIFD-UHFFFAOYSA-N 2 0 285.501 1.841 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000649299069 391934393 /nfs/dbraw/zinc/93/43/93/391934393.db2.gz XLUAWSMVUJFHOJ-CHWSQXEVSA-N 2 0 255.406 1.160 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N1C[C@@H]2CCC[NH+]2C[C@H]1C ZINC000247207186 391896215 /nfs/dbraw/zinc/89/62/15/391896215.db2.gz LVDBSUMOFJZNAD-ZNMIVQPWSA-N 2 0 296.459 1.595 10 0 CDAERP CCC[N@H+](C)CC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000341411223 391959683 /nfs/dbraw/zinc/95/96/83/391959683.db2.gz XTTZKEHINVPIPC-KBPBESRZSA-N 2 0 269.433 1.707 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)CCC(C)(C)[NH3+])[C@H](C)C1 ZINC000649340694 392069279 /nfs/dbraw/zinc/06/92/79/392069279.db2.gz KDLBEHUHHGKVFT-OLZOCXBDSA-N 2 0 269.433 1.693 10 0 CDAERP C[N@H+](C[C@@]1(C)CC[NH2+]C1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000262013585 392029958 /nfs/dbraw/zinc/02/99/58/392029958.db2.gz MMMNQQGOZMUHGS-ZBFHGGJFSA-N 2 0 289.427 1.377 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2=CCOCC2)[C@@H]2CCC[C@H]21 ZINC000453297725 392030358 /nfs/dbraw/zinc/03/03/58/392030358.db2.gz TXWPLRRDJIMLTD-SOUVJXGZSA-N 2 0 250.386 1.796 10 0 CDAERP CCC1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)COC1 ZINC000453381613 392032531 /nfs/dbraw/zinc/03/25/31/392032531.db2.gz RQIHLYIUHSNIAL-BFHYXJOUSA-N 2 0 252.402 1.875 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])NC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000646188401 392139954 /nfs/dbraw/zinc/13/99/54/392139954.db2.gz ZHSKLCLJTRGYMI-RFQIPJPRSA-N 2 0 284.448 1.674 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCC[NH+]1C ZINC000422019270 392179447 /nfs/dbraw/zinc/17/94/47/392179447.db2.gz KFPJCYBUODGYAQ-KGLIPLIRSA-N 2 0 267.417 1.413 10 0 CDAERP Cn1cc2c(n1)CCC[C@@H]2[NH2+]CCCNCc1cccnc1 ZINC000423186600 392426965 /nfs/dbraw/zinc/42/69/65/392426965.db2.gz LDMYLSLRZXEXCR-INIZCTEOSA-N 2 0 299.422 1.962 10 0 CDAERP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCNCc1cccnc1 ZINC000423193358 392432087 /nfs/dbraw/zinc/43/20/87/392432087.db2.gz XFXGRYXVLPBRJW-HOCLYGCPSA-N 2 0 276.428 1.539 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC[C@H]([NH3+])c1ccccc1 ZINC000423241900 392464842 /nfs/dbraw/zinc/46/48/42/392464842.db2.gz LSNZCPZEMDHGPW-UHOFOFEASA-N 2 0 259.397 1.759 10 0 CDAERP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H]2CCC[C@H]2O)CC[NH2+]CC1 ZINC000423164081 392402221 /nfs/dbraw/zinc/40/22/21/392402221.db2.gz NUQOSYZYHSSUSU-HZSPNIEDSA-N 2 0 298.427 1.058 10 0 CDAERP C[C@H]([NH2+]Cc1ccc2c(c1)OCO2)[C@H]1CCC[NH2+]C1 ZINC000574148834 392527411 /nfs/dbraw/zinc/52/74/11/392527411.db2.gz FTQHHMIRMBDIOU-AAEUAGOBSA-N 2 0 262.353 1.893 10 0 CDAERP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCC[NH3+])c(C)c1 ZINC000437758563 392487313 /nfs/dbraw/zinc/48/73/13/392487313.db2.gz BSAKPKBJPCEUTN-CYBMUJFWSA-N 2 0 263.385 1.959 10 0 CDAERP CCCC[C@H](C[NH3+])N[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000423295588 392492520 /nfs/dbraw/zinc/49/25/20/392492520.db2.gz FJOQLKBCIUCXNI-TUVASFSCSA-N 2 0 253.434 1.966 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CCCN(C)C1=O ZINC000541319323 392822736 /nfs/dbraw/zinc/82/27/36/392822736.db2.gz MACOTNYWJWVHQA-HNNXBMFYSA-N 2 0 299.378 1.286 10 0 CDAERP CCC[C@H](C(=O)NCC[N@H+](C)[C@@H](C)CC)[NH+](C)C ZINC000131277469 393015839 /nfs/dbraw/zinc/01/58/39/393015839.db2.gz IKKRNNLCJIGGMC-QWHCGFSZSA-N 2 0 257.422 1.563 10 0 CDAERP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCC(=O)NC2(C)C)C1 ZINC000494924061 393131008 /nfs/dbraw/zinc/13/10/08/393131008.db2.gz OWNOXXFQHNTVQC-OLZOCXBDSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000459661765 393288269 /nfs/dbraw/zinc/28/82/69/393288269.db2.gz RQAGCYADAKEMPR-MLGOLLRUSA-N 2 0 270.380 1.907 10 0 CDAERP CC(C)OCC[C@@H](O)C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656153911 413060240 /nfs/dbraw/zinc/06/02/40/413060240.db2.gz OPFNZCCNASLMPK-HZSPNIEDSA-N 2 0 258.406 1.092 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@H](O)COCc2cccs2)C1 ZINC000656153447 413060413 /nfs/dbraw/zinc/06/04/13/413060413.db2.gz RYXPPIBMCZPYHG-MJBXVCDLSA-N 2 0 298.452 1.555 10 0 CDAERP c1nc2n(n1)CCC[C@@H]2[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000291379262 285582499 /nfs/dbraw/zinc/58/24/99/285582499.db2.gz AUPBGYWVNDPKNP-HNNXBMFYSA-N 2 0 298.394 1.767 10 0 CDAERP CO[C@@H](C[N@@H+]1CCC[C@H](N2CCOCC2)CC1)C1CCC1 ZINC000660472264 413075514 /nfs/dbraw/zinc/07/55/14/413075514.db2.gz CYIIJGWPFXLHPS-IRXDYDNUSA-N 2 0 296.455 1.988 10 0 CDAERP O=C(C[C@H]1CC[NH2+]C1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000662505132 413076199 /nfs/dbraw/zinc/07/61/99/413076199.db2.gz GKMQUTLYSHFGCR-FMKPAKJESA-N 2 0 291.439 1.461 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC000178210910 140001884 /nfs/dbraw/zinc/00/18/84/140001884.db2.gz YLAWQBHAMUCCBU-GOEBONIOSA-N 2 0 293.455 1.851 10 0 CDAERP CN(CC(=O)NC1CCCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000231669822 140217632 /nfs/dbraw/zinc/21/76/32/140217632.db2.gz CXCKFSMHDOELOP-CQSZACIVSA-N 2 0 267.417 1.509 10 0 CDAERP CC1CC[NH+](CCNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000251700657 140311659 /nfs/dbraw/zinc/31/16/59/140311659.db2.gz OBEILDGYEHYHAK-XHSDSOJGSA-N 2 0 293.455 1.755 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000252438927 140319755 /nfs/dbraw/zinc/31/97/55/140319755.db2.gz ILJLVVNSNOCDOF-BARDWOONSA-N 2 0 279.428 1.365 10 0 CDAERP C[NH+](C)C1(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CCCC1 ZINC000252947866 140328789 /nfs/dbraw/zinc/32/87/89/140328789.db2.gz AQLMUQOVMFVZPW-ZNMIVQPWSA-N 2 0 293.455 1.898 10 0 CDAERP C[C@]1(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)CC[NH2+]C1 ZINC000261705632 140378001 /nfs/dbraw/zinc/37/80/01/140378001.db2.gz CZVOTHJDZUQRNZ-AVGNSLFASA-N 2 0 256.415 1.192 10 0 CDAERP [NH3+]CCN(CCc1ccccc1)C(=O)C[NH2+]CC1CC1 ZINC000261801478 140391296 /nfs/dbraw/zinc/39/12/96/140391296.db2.gz VUAZSCOEWVQSMT-UHFFFAOYSA-N 2 0 275.396 1.016 10 0 CDAERP C[C@H](C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])N1C[C@@H](C)O[C@@H](C)C1 ZINC000656200101 413097207 /nfs/dbraw/zinc/09/72/07/413097207.db2.gz JNJIZBAYWZTQAU-LJIZCISZSA-N 2 0 283.460 1.591 10 0 CDAERP C[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@H]1C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656200433 413098760 /nfs/dbraw/zinc/09/87/60/413098760.db2.gz PIBZVYRULHSJQC-SUJAAXHWSA-N 2 0 283.460 1.462 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000662533522 413104211 /nfs/dbraw/zinc/10/42/11/413104211.db2.gz REGWJZNOVXRORK-CLRIEMFWSA-N 2 0 265.401 1.247 10 0 CDAERP Cc1cc(NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc[nH+]1 ZINC000656211559 413111769 /nfs/dbraw/zinc/11/17/69/413111769.db2.gz VSEJQAMWANLRCG-MELADBBJSA-N 2 0 263.385 1.722 10 0 CDAERP C[C@@H](CCC[NH3+])NC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662568229 413136700 /nfs/dbraw/zinc/13/67/00/413136700.db2.gz NKVVMASEPSLVFE-FZMZJTMJSA-N 2 0 261.369 1.465 10 0 CDAERP CO[C@@H](C[NH2+]C1CC[NH+](C(C)C)CC1)[C@H]1CCOC1 ZINC000658074528 413174718 /nfs/dbraw/zinc/17/47/18/413174718.db2.gz TWJCEKSWEAVAMX-ZFWWWQNUSA-N 2 0 270.417 1.500 10 0 CDAERP CC[NH+]1CCC([NH2+]C[C@H](OC)[C@H]2CCOC2)CC1 ZINC000658075533 413176998 /nfs/dbraw/zinc/17/69/98/413176998.db2.gz ZEXFTDLNUAXYMR-JSGCOSHPSA-N 2 0 256.390 1.112 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000386011470 398057439 /nfs/dbraw/zinc/05/74/39/398057439.db2.gz UWHOIVXMEGXKOS-ZDUSSCGKSA-N 2 0 253.390 1.057 10 0 CDAERP Cc1cccc(C[NH2+]CCN(C)C(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001663851361 1172779000 /nfs/dbraw/zinc/77/90/00/1172779000.db2.gz OJMRDKTVFDUWCU-INIZCTEOSA-N 2 0 289.423 1.637 10 0 CDAERP COC[C@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)C1CCOCC1 ZINC000658098138 413196209 /nfs/dbraw/zinc/19/62/09/413196209.db2.gz XWVIMGNCLJDYGJ-CJNGLKHVSA-N 2 0 284.444 1.748 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@]1(CC)CC[NH2+]C1 ZINC000092629698 147018056 /nfs/dbraw/zinc/01/80/56/147018056.db2.gz NJSWIXXEUYSEKB-UKRRQHHQSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1cnn(C)c1 ZINC000658110230 413210544 /nfs/dbraw/zinc/21/05/44/413210544.db2.gz WPDNFDBQIMUAKV-UONOGXRCSA-N 2 0 281.448 1.343 10 0 CDAERP CC[NH+](CC)CCCC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC000182767433 148266993 /nfs/dbraw/zinc/26/69/93/148266993.db2.gz IWUIPRFUOUCJNQ-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@@H](COC)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658135739 413225411 /nfs/dbraw/zinc/22/54/11/413225411.db2.gz AQPRTNCQJSRIJL-IRXDYDNUSA-N 2 0 292.423 1.768 10 0 CDAERP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000262136960 149025838 /nfs/dbraw/zinc/02/58/38/149025838.db2.gz OWVDOGHUHLRYKZ-NVXWUHKLSA-N 2 0 283.375 1.419 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000262429008 149063194 /nfs/dbraw/zinc/06/31/94/149063194.db2.gz RJVDEEPTUVEFPB-QPSCCSFWSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262668088 149093349 /nfs/dbraw/zinc/09/33/49/149093349.db2.gz LMIYRQLOMNBBCK-HNSVSWJLSA-N 2 0 293.455 1.898 10 0 CDAERP CC[N@@H+]1CC[C@@H](CNCc2cn(C(C)C)nn2)C1 ZINC000310845085 149203081 /nfs/dbraw/zinc/20/30/81/149203081.db2.gz BZYRVBGOPGAOJA-LBPRGKRZSA-N 2 0 251.378 1.290 10 0 CDAERP C[NH+]1CCC(CCNC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000334892894 150043357 /nfs/dbraw/zinc/04/33/57/150043357.db2.gz QLNVUMVSSSNOCX-LSDHHAIUSA-N 2 0 294.443 1.112 10 0 CDAERP [NH3+]CC1(CC(=O)N2CC[NH+]3CCC2CC3)CCCCC1 ZINC000335037417 150213774 /nfs/dbraw/zinc/21/37/74/150213774.db2.gz KATDUCUWNDLXGP-UHFFFAOYSA-N 2 0 279.428 1.592 10 0 CDAERP CC[N@@H+]1C[C@H](C)N(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC000336100169 151267864 /nfs/dbraw/zinc/26/78/64/151267864.db2.gz CNZJSDKWKGRTBH-KGLIPLIRSA-N 2 0 281.444 1.659 10 0 CDAERP COc1ccc([C@H](NC[C@H](C)C[NH3+])[C@H]2CCC[NH2+]2)cc1 ZINC000423300287 286375949 /nfs/dbraw/zinc/37/59/49/286375949.db2.gz DGCRSBTYWKLLBV-WQVCFCJDSA-N 2 0 277.412 1.673 10 0 CDAERP C[C@@H](CNC(=O)CC1([NH3+])CC1)[N@@H+]1CCCC[C@@H]1C ZINC000662678889 413296650 /nfs/dbraw/zinc/29/66/50/413296650.db2.gz JPPCQDTXWVQJBM-RYUDHWBXSA-N 2 0 253.390 1.247 10 0 CDAERP C[C@H]1CCC[N@H+](CCNC(=O)c2cc(C(C)(C)[NH3+])no2)C1 ZINC000662680554 413302016 /nfs/dbraw/zinc/30/20/16/413302016.db2.gz JGLSNAJWOLYPEL-NSHDSACASA-N 2 0 294.399 1.330 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001664760178 1172904620 /nfs/dbraw/zinc/90/46/20/1172904620.db2.gz NBTTYFOWSMATST-CVEARBPZSA-N 2 0 295.471 1.957 10 0 CDAERP CCC[NH2+][C@H](C)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000662686223 413311908 /nfs/dbraw/zinc/31/19/08/413311908.db2.gz KUFZXUULTWCOQI-IUODEOHRSA-N 2 0 291.395 1.674 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCn2ccnn2)[C@H]2CCC[C@@H]21 ZINC000353682875 156009492 /nfs/dbraw/zinc/00/94/92/156009492.db2.gz PCSRLODOHCHGEK-RDBSUJKOSA-N 2 0 263.389 1.131 10 0 CDAERP COC[C@@H](C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)OC ZINC000660659703 413344466 /nfs/dbraw/zinc/34/44/66/413344466.db2.gz BIPSFXGCANFFGS-KGLIPLIRSA-N 2 0 256.390 1.066 10 0 CDAERP C[C@@H](CNC(=O)CC[C@H]1CCCC[N@@H+]1C)C[NH+](C)C ZINC000355741450 157211368 /nfs/dbraw/zinc/21/13/68/157211368.db2.gz MFLLWBJTBCTNBO-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP COC[C@H](C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1)OC ZINC000660659704 413351399 /nfs/dbraw/zinc/35/13/99/413351399.db2.gz BIPSFXGCANFFGS-UONOGXRCSA-N 2 0 256.390 1.066 10 0 CDAERP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@@H]2CCO[C@H](C)C2)CC1 ZINC000660697696 413383124 /nfs/dbraw/zinc/38/31/24/413383124.db2.gz ISEALSYPKVUHKG-HZPDHXFCSA-N 2 0 298.471 1.874 10 0 CDAERP COc1cccc(CC[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000361925556 159019324 /nfs/dbraw/zinc/01/93/24/159019324.db2.gz IJJPOCRRRUBLSY-OCCSQVGLSA-N 2 0 263.385 1.705 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000662730596 413394669 /nfs/dbraw/zinc/39/46/69/413394669.db2.gz KPTPKIGKAQXUEF-KGLIPLIRSA-N 2 0 269.433 1.774 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662730429 413395729 /nfs/dbraw/zinc/39/57/29/413395729.db2.gz FAMAJWZLFKPTDN-WTUNAVPPSA-N 2 0 267.417 1.397 10 0 CDAERP C[NH+](C)[C@@]1(CNC(=O)CC2CC[NH+](C)CC2)CCSC1 ZINC000362877209 159258756 /nfs/dbraw/zinc/25/87/56/159258756.db2.gz SBZGURQVPJELMG-OAHLLOKOSA-N 2 0 299.484 1.272 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000662730465 413397812 /nfs/dbraw/zinc/39/78/12/413397812.db2.gz GBGIIBLUMGJIRC-HUUCEWRRSA-N 2 0 277.412 1.956 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000156690835 286913756 /nfs/dbraw/zinc/91/37/56/286913756.db2.gz PMYOUMIHAOAIMR-VXGBXAGGSA-N 2 0 253.390 1.057 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000662756491 413441088 /nfs/dbraw/zinc/44/10/88/413441088.db2.gz HLDFKNNWCCZDDB-JSGCOSHPSA-N 2 0 267.417 1.350 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCCCC[N@H+](C)C2CC2)C1 ZINC000654587988 413465765 /nfs/dbraw/zinc/46/57/65/413465765.db2.gz JITAMCYXDVDMPE-OTVXOJSOSA-N 2 0 296.459 1.500 10 0 CDAERP CC[NH+](CC)CCOc1c(CC[NH3+])cccc1OC ZINC000011993648 170465375 /nfs/dbraw/zinc/46/53/75/170465375.db2.gz AATXAMCRCCMVOS-UHFFFAOYSA-N 2 0 266.385 1.917 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000662667971 411819205 /nfs/dbraw/zinc/81/92/05/411819205.db2.gz FKGMRLLERNLRMD-OLZOCXBDSA-N 2 0 267.417 1.637 10 0 CDAERP CC[C@](C)(C[NH3+])N1CC[NH+](Cc2ccccc2)CC1 ZINC000019440861 170802484 /nfs/dbraw/zinc/80/24/84/170802484.db2.gz GBGKEMJPAAJPMT-MRXNPFEDSA-N 2 0 261.413 1.932 10 0 CDAERP CC(C)[NH+](CCN[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC000020440321 171204340 /nfs/dbraw/zinc/20/43/40/171204340.db2.gz IELVNYSKXZDPMF-HNNXBMFYSA-N 2 0 253.434 1.789 10 0 CDAERP COC(C)(C)C[C@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000020524596 171237636 /nfs/dbraw/zinc/23/76/36/171237636.db2.gz FFFGBQVBYFZVKY-AWEZNQCLSA-N 2 0 271.449 1.417 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1C[NH3+] ZINC000022154541 171361205 /nfs/dbraw/zinc/36/12/05/171361205.db2.gz XVCLRLDYAGDDIW-GFCCVEGCSA-N 2 0 261.369 1.958 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccccc1C[NH2+]C ZINC000653214230 412141891 /nfs/dbraw/zinc/14/18/91/412141891.db2.gz MFRAYZPWEWAUNE-MRXNPFEDSA-N 2 0 289.423 1.897 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000653214350 412142038 /nfs/dbraw/zinc/14/20/38/412142038.db2.gz QTGDQNRXKVNHJO-RDJZCZTQSA-N 2 0 289.423 1.930 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)[C@@H]([NH3+])CC(F)F ZINC000653176567 412116154 /nfs/dbraw/zinc/11/61/54/412116154.db2.gz YXDIFLCZRYNVCZ-JTQLQIEISA-N 2 0 265.348 1.063 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000653214030 412142481 /nfs/dbraw/zinc/14/24/81/412142481.db2.gz DBNRARKFDKXFME-AWEZNQCLSA-N 2 0 293.436 1.117 10 0 CDAERP [NH3+]CC1(CCNC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000653221137 412148190 /nfs/dbraw/zinc/14/81/90/412148190.db2.gz JVOJHZLOMSJISQ-KRWDZBQOSA-N 2 0 287.407 1.163 10 0 CDAERP CC[C@@H]1CN(C(=O)C2([NH2+]C3CC3)CCC2)CC[C@@H]1[NH3+] ZINC000662776102 413481073 /nfs/dbraw/zinc/48/10/73/413481073.db2.gz UQCYFIFUXGKTRN-YPMHNXCESA-N 2 0 265.401 1.247 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCC[C@H]([NH+](C)C)C2)C1 ZINC000654658497 413549103 /nfs/dbraw/zinc/54/91/03/413549103.db2.gz MKQZCSVLKCOPKE-MELADBBJSA-N 2 0 282.432 1.062 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662893928 413670116 /nfs/dbraw/zinc/67/01/16/413670116.db2.gz RXVMRIVUMHZHSC-FRRDWIJNSA-N 2 0 255.406 1.480 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000664719776 413614169 /nfs/dbraw/zinc/61/41/69/413614169.db2.gz ZFDFQHXXNPQJTH-LBPRGKRZSA-N 2 0 287.473 1.318 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000659434339 413816183 /nfs/dbraw/zinc/81/61/83/413816183.db2.gz LOJDTYGGIYLFEI-UONOGXRCSA-N 2 0 284.448 1.533 10 0 CDAERP C[C@@H]1C[C@@H](NCC[N@H+]2CCCC[C@H]2C)CC[NH+]1C ZINC000247187328 287271478 /nfs/dbraw/zinc/27/14/78/287271478.db2.gz VPPVOKXBOKLZOF-KFWWJZLASA-N 2 0 253.434 1.933 10 0 CDAERP C[C@H](NC(=O)N1CC2CC1(C[NH3+])C2)C(C)(C)C[NH+](C)C ZINC000659466074 413856811 /nfs/dbraw/zinc/85/68/11/413856811.db2.gz FDHSAXBMVAAFRM-BZUNDVKYSA-N 2 0 282.432 1.095 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)NCC2([NH3+])CCCC2)cc1 ZINC000659525415 413925652 /nfs/dbraw/zinc/92/56/52/413925652.db2.gz GBPOUQNREWQYQV-LBPRGKRZSA-N 2 0 290.411 1.777 10 0 CDAERP CC(C)[NH2+]C1CCN(C(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000659621808 414031730 /nfs/dbraw/zinc/03/17/30/414031730.db2.gz BFQRYNRMKJKFLR-CQSZACIVSA-N 2 0 284.448 1.532 10 0 CDAERP CC(C)(C)[C@H]1CC[C@@H]1[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665292665 414036152 /nfs/dbraw/zinc/03/61/52/414036152.db2.gz GWQUQFLVHZCXPA-QWRGUYRKSA-N 2 0 264.373 1.555 10 0 CDAERP CC[NH+]1CCC([C@H](C)[NH2+]CCN2CCCC2)CC1 ZINC000037220753 173038934 /nfs/dbraw/zinc/03/89/34/173038934.db2.gz USVZUWCZGNCVBX-AWEZNQCLSA-N 2 0 253.434 1.792 10 0 CDAERP CC[N@@H+]1CCC[C@@H]([C@@H](C)NCC[NH+]2CCCC2)C1 ZINC000037220765 173039102 /nfs/dbraw/zinc/03/91/02/173039102.db2.gz XASBHTOJWJRBFN-HUUCEWRRSA-N 2 0 253.434 1.792 10 0 CDAERP C[N@@H+]1CCCN(C2(C[NH3+])Cc3ccccc3C2)CC1 ZINC000037374702 173163677 /nfs/dbraw/zinc/16/36/77/173163677.db2.gz OIGFXPSJOGKYOM-UHFFFAOYSA-N 2 0 259.397 1.120 10 0 CDAERP COc1cccc(C[C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)n1 ZINC000655804882 414197637 /nfs/dbraw/zinc/19/76/37/414197637.db2.gz DXODDTPCNRDLJZ-NFAWXSAZSA-N 2 0 277.412 1.951 10 0 CDAERP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)C1CC[NH+](C)CC1 ZINC000655805728 414198708 /nfs/dbraw/zinc/19/87/08/414198708.db2.gz KQKKHUCLSFCLKS-KCQAQPDRSA-N 3 0 253.434 1.647 10 0 CDAERP CO[C@H](C[N@H+](C)C[C@H]1CCC[NH+](C)C1)[C@H]1CCOC1 ZINC000659948785 414290863 /nfs/dbraw/zinc/29/08/63/414290863.db2.gz RGOHDRZWRLGACQ-SOUVJXGZSA-N 2 0 270.417 1.312 10 0 CDAERP C(CNCc1nc2c(s1)C[NH2+]CC2)C[NH2+]C1CC1 ZINC000663496226 414294459 /nfs/dbraw/zinc/29/44/59/414294459.db2.gz DTLBCUWYDQNCMH-UHFFFAOYSA-N 2 0 266.414 1.021 10 0 CDAERP CNC(=O)c1ccc(C[NH2+]CC[C@@H]([NH3+])C(C)C)cc1 ZINC000663499370 414296465 /nfs/dbraw/zinc/29/64/65/414296465.db2.gz ZBMPSUCGEUMCNP-CQSZACIVSA-N 2 0 263.385 1.509 10 0 CDAERP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@]1(O)CCCOC1 ZINC000659959870 414297462 /nfs/dbraw/zinc/29/74/62/414297462.db2.gz GITKRNVRNGYKCA-LSDHHAIUSA-N 2 0 270.417 1.334 10 0 CDAERP CCC[C@H](C)[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000663505096 414305240 /nfs/dbraw/zinc/30/52/40/414305240.db2.gz DBSSXAHDUKZZJQ-ZDUSSCGKSA-N 2 0 269.433 1.755 10 0 CDAERP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](OC)[C@@H]2CCOC2)C1 ZINC000659976201 414314267 /nfs/dbraw/zinc/31/42/67/414314267.db2.gz REXRPJDNJWMQAN-XHSDSOJGSA-N 2 0 284.444 1.702 10 0 CDAERP C[C@@H]1CC[C@@H](C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)O1 ZINC000657488413 414387180 /nfs/dbraw/zinc/38/71/80/414387180.db2.gz CMNZICSCTBUSLH-DOMZBBRYSA-N 2 0 272.352 1.924 10 0 CDAERP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](OC)[C@H]2CCOC2)C1 ZINC000659989187 414328910 /nfs/dbraw/zinc/32/89/10/414328910.db2.gz FEJZJUAJXMHFIU-KKUMJFAQSA-N 2 0 270.417 1.312 10 0 CDAERP CCN(C(=O)N[C@H]1CCC[NH+](C)C1)[C@H]1CC[N@H+](CC)C1 ZINC000663775596 414457024 /nfs/dbraw/zinc/45/70/24/414457024.db2.gz ZTQXCABMWUDEQL-KBPBESRZSA-N 2 0 282.432 1.206 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CO1 ZINC000657501034 414402210 /nfs/dbraw/zinc/40/22/10/414402210.db2.gz UTRWSZJRGRGNCO-VXGBXAGGSA-N 2 0 258.325 1.534 10 0 CDAERP COC(C)(C)CC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662152751 414540733 /nfs/dbraw/zinc/54/07/33/414540733.db2.gz ZBCFBURDIALOCX-CQSZACIVSA-N 2 0 270.417 1.333 10 0 CDAERP c1ccc([C@H]2CC[N@@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C2)cc1 ZINC000662251852 414585789 /nfs/dbraw/zinc/58/57/89/414585789.db2.gz KFHUUWHVCSLAKN-HOTGVXAUSA-N 2 0 272.392 1.997 10 0 CDAERP COCC[N@@H+](Cc1ccccc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249331 414585803 /nfs/dbraw/zinc/58/58/03/414585803.db2.gz LPMYDCDRNXZISR-INIZCTEOSA-N 2 0 290.407 1.656 10 0 CDAERP COc1ccc(C[N@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)cc1O ZINC000662251372 414586176 /nfs/dbraw/zinc/58/61/76/414586176.db2.gz AVMYFYJJZSOXHR-CYBMUJFWSA-N 2 0 292.379 1.354 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCO[C@H]3CC3(F)F)C[C@@H]21 ZINC000662264425 414600125 /nfs/dbraw/zinc/60/01/25/414600125.db2.gz CYNBSLOHVHYYKK-KXNHARMFSA-N 2 0 260.328 1.470 10 0 CDAERP CO[C@H](C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)C1CCC1 ZINC000662275828 414607678 /nfs/dbraw/zinc/60/76/78/414607678.db2.gz FBEGAABRJHLTDS-HUUCEWRRSA-N 2 0 252.402 1.877 10 0 CDAERP C(CC1CC[NH+](C[C@H]2CNCCO2)CC1)C[NH+]1CCCC1 ZINC000662280181 414611674 /nfs/dbraw/zinc/61/16/74/414611674.db2.gz YGMSFIMXKJXBRH-QGZVFWFLSA-N 2 0 295.471 1.563 10 0 CDAERP COCCOCC[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294587 414620731 /nfs/dbraw/zinc/62/07/31/414620731.db2.gz RAMBYUJMFSHYPY-HNNXBMFYSA-N 2 0 270.417 1.361 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC[C@H](O)C[NH+](C)C1CC1 ZINC000662179928 414556276 /nfs/dbraw/zinc/55/62/76/414556276.db2.gz MUMSYOGRHHZOON-AWEZNQCLSA-N 2 0 271.449 1.152 10 0 CDAERP C[NH+](C)CCC[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CCO1 ZINC000662232154 414577339 /nfs/dbraw/zinc/57/73/39/414577339.db2.gz WMQYOSXVHAOVMR-OAHLLOKOSA-N 3 0 269.433 1.029 10 0 CDAERP NC(=[NH2+])c1ccc(COc2ccc(C(N)=[NH2+])cc2)cc1 ZINC000038892236 174158713 /nfs/dbraw/zinc/15/87/13/174158713.db2.gz WQQIZUPFPXCESO-UHFFFAOYSA-N 2 0 268.320 1.834 10 0 CDAERP O=C([C@H]1CCC[N@@H+]1CC1CCCCC1)N1CC[NH2+]CC1 ZINC000040508097 174302737 /nfs/dbraw/zinc/30/27/37/174302737.db2.gz VQNJAXVORUEKSC-OAHLLOKOSA-N 2 0 279.428 1.463 10 0 CDAERP C[C@@H]1CCC[C@H](C)C1[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508076 174302754 /nfs/dbraw/zinc/30/27/54/174302754.db2.gz CGRZUBJCUKVMBO-IUOOZAAYSA-N 2 0 293.455 1.707 10 0 CDAERP CC(C)CCNC(=O)[C@H](C)[N@H+](CCC[NH3+])CC(C)C ZINC000043417374 175038235 /nfs/dbraw/zinc/03/82/35/175038235.db2.gz LKJFPOSITXNXHF-AWEZNQCLSA-N 2 0 271.449 1.844 10 0 CDAERP C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CC[C@@H]1CCCC[NH2+]1 ZINC000043498720 175058096 /nfs/dbraw/zinc/05/80/96/175058096.db2.gz YIOOUPSCBPGHBG-AGIUHOORSA-N 2 0 253.390 1.104 10 0 CDAERP C(CN1CC[NH+](CC2CC2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000043498698 175058307 /nfs/dbraw/zinc/05/83/07/175058307.db2.gz OTMLZCWNOMTEBH-HNNXBMFYSA-N 2 0 251.418 1.546 10 0 CDAERP COCC[NH+](CCC[C@@H]1CCC[NH2+]C1)CCOC ZINC000043591986 175074409 /nfs/dbraw/zinc/07/44/09/175074409.db2.gz GBTTVDJWGZFFMF-AWEZNQCLSA-N 2 0 258.406 1.361 10 0 CDAERP CC[NH+]1CCN([C@@H]2CCCCCC[C@@H]2[NH2+]C)CC1 ZINC000043805751 175107746 /nfs/dbraw/zinc/10/77/46/175107746.db2.gz KEAGCAQGUDYGHL-LSDHHAIUSA-N 2 0 253.434 1.935 10 0 CDAERP CC[NH+]1CCN([C@@H]2CCc3ccccc3[C@H]2[NH2+]C)CC1 ZINC000043805917 175108316 /nfs/dbraw/zinc/10/83/16/175108316.db2.gz VEAVBRSFQUHNSB-IAGOWNOFSA-N 2 0 273.424 1.899 10 0 CDAERP CC[NH2+][C@@H]1CCCCCC[C@@H]1N1CC[NH+](C)CC1 ZINC000043810723 175109995 /nfs/dbraw/zinc/10/99/95/175109995.db2.gz KWLZMYOTHUMTDM-CABCVRRESA-N 2 0 253.434 1.935 10 0 CDAERP C[NH2+][C@H]1c2ccccc2C[C@H]1N1CC[NH+](C2CC2)CC1 ZINC000043967555 175128341 /nfs/dbraw/zinc/12/83/41/175128341.db2.gz OIUBTBUXKDWHSG-SJORKVTESA-N 2 0 271.408 1.652 10 0 CDAERP C[NH+]1CCC(C[NH2+]C[C@H](O)c2cccs2)CC1 ZINC000044518144 175190763 /nfs/dbraw/zinc/19/07/63/175190763.db2.gz JSLZMCFMHIDPPZ-LBPRGKRZSA-N 2 0 254.399 1.713 10 0 CDAERP C[NH+]1CCC(C[NH2+]C[C@@H](O)c2cc(F)ccc2F)CC1 ZINC000044518154 175190829 /nfs/dbraw/zinc/19/08/29/175190829.db2.gz DTBACENRZCWTNS-OAHLLOKOSA-N 2 0 284.350 1.930 10 0 CDAERP CCC[NH2+]CC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000044650766 175225032 /nfs/dbraw/zinc/22/50/32/175225032.db2.gz IVRIKUSPHHFGFK-CYBMUJFWSA-N 2 0 255.406 1.224 10 0 CDAERP CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]CCOCCOC)C1 ZINC000044694054 175234783 /nfs/dbraw/zinc/23/47/83/175234783.db2.gz OZOVPYWIXZQIBK-ZIAGYGMSSA-N 2 0 258.406 1.359 10 0 CDAERP CCC[C@@H](C[NH3+])C(=O)N[C@H](C)CCC[NH+](CC)CC ZINC000044798922 175255120 /nfs/dbraw/zinc/25/51/20/175255120.db2.gz ITSMEPRWTRXCIO-KGLIPLIRSA-N 2 0 271.449 1.988 10 0 CDAERP C[NH+]1CCC(NC(=O)[C@@H](C[NH3+])Cc2ccccc2)CC1 ZINC000044800964 175255712 /nfs/dbraw/zinc/25/57/12/175255712.db2.gz ZWNQHTKSOTXANF-CQSZACIVSA-N 2 0 275.396 1.014 10 0 CDAERP [NH3+]C[C@H](Cc1ccccc1)C(=O)NCC[NH+]1CCCCC1 ZINC000044806750 175256453 /nfs/dbraw/zinc/25/64/53/175256453.db2.gz KPSGHSPWFNTGQL-INIZCTEOSA-N 2 0 289.423 1.406 10 0 CDAERP CC(C)[NH2+][C@](C)(CCC[N@H+](C)C1CCN(C)CC1)C(N)=O ZINC000045379361 175368344 /nfs/dbraw/zinc/36/83/44/175368344.db2.gz WJTRNZSTXSCJID-MRXNPFEDSA-N 2 0 298.475 1.035 10 0 CDAERP CCOC(=O)[C@](C)([NH3+])CCC[N@H+](C)C1CCCC1 ZINC000045384815 175371869 /nfs/dbraw/zinc/37/18/69/175371869.db2.gz RSMYXEPYTVBGTA-CQSZACIVSA-N 2 0 256.390 1.922 10 0 CDAERP CC[N@H+](CCCC[C@@](C)([NH2+]C)C(N)=O)C1CCCC1 ZINC000045390487 175374375 /nfs/dbraw/zinc/37/43/75/175374375.db2.gz SZFKIKOHJGUSRK-OAHLLOKOSA-N 2 0 269.433 1.885 10 0 CDAERP CCC(CC)[N@H+](C)CCCC[C@@](C)([NH2+]C)C(N)=O ZINC000045391433 175374669 /nfs/dbraw/zinc/37/46/69/175374669.db2.gz QHVSCPJPYSXFAY-CQSZACIVSA-N 2 0 257.422 1.741 10 0 CDAERP CC[NH2+][C@@](C)(CCCC[N@@H+]1CCO[C@@H](CC)C1)C(N)=O ZINC000045390978 175375100 /nfs/dbraw/zinc/37/51/00/175375100.db2.gz SMMYWVOYOJYEAB-ZFWWWQNUSA-N 2 0 285.432 1.121 10 0 CDAERP CCOC(=O)[C@](C)([NH3+])CCCCN1CCC([NH+](C)C)CC1 ZINC000045392435 175375936 /nfs/dbraw/zinc/37/59/36/175375936.db2.gz WUDVLTFEPUSRMC-MRXNPFEDSA-N 2 0 299.459 1.463 10 0 CDAERP CC(C)[NH2+][C@@H]1CCCN([C@@H]2CCC[N@H+](C)C2)C1=O ZINC000071031099 176022543 /nfs/dbraw/zinc/02/25/43/176022543.db2.gz GRWBORNJVCCQNC-CHWSQXEVSA-N 2 0 253.390 1.070 10 0 CDAERP CCC[NH2+][C@H]1CCN(C[C@H]2CCC[N@@H+]2CC)C1=O ZINC000071032783 176023836 /nfs/dbraw/zinc/02/38/36/176023836.db2.gz VFZHKHPFBKSIIA-OLZOCXBDSA-N 2 0 253.390 1.071 10 0 CDAERP C[NH2+][C@@H]1CCN(C2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000071037882 176026524 /nfs/dbraw/zinc/02/65/24/176026524.db2.gz ZLSOJLHICPPWCA-MRXNPFEDSA-N 2 0 287.407 1.471 10 0 CDAERP Cc1cc(N(C)CCN2CC[NH2+]CC2)c2ccccc2[nH+]1 ZINC000071151171 176045238 /nfs/dbraw/zinc/04/52/38/176045238.db2.gz NISCVRWTHHFXJR-UHFFFAOYSA-N 2 0 284.407 1.885 10 0 CDAERP CC(C)[NH2+][C@](C)(CCC[N@H+](C)C[C@@H]1CC[NH+](C)C1)C(=O)[O-] ZINC000071190901 176068530 /nfs/dbraw/zinc/06/85/30/176068530.db2.gz WXWOQRJTIPEUEG-GOEBONIOSA-N 2 0 299.459 1.491 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)C[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000071190805 176068674 /nfs/dbraw/zinc/06/86/74/176068674.db2.gz QXSJYCQMANHGEM-PBHICJAKSA-N 2 0 273.424 1.584 10 0 CDAERP CCCN[C@@](C)(CC[N@H+](C)C[C@@H]1CC[NH+](C)C1)C(=O)OC ZINC000071191026 176068738 /nfs/dbraw/zinc/06/87/38/176068738.db2.gz YITSPHFDKUYHMM-ZBFHGGJFSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)[NH2+]Cc1ccc(N(C)C[C@@H]2CC[N@H+](C)C2)nn1 ZINC000071191686 176071963 /nfs/dbraw/zinc/07/19/63/176071963.db2.gz VCIZIEKXAZJHCG-CYBMUJFWSA-N 2 0 277.416 1.363 10 0 CDAERP C[NH+]1CCC(CNC2=[NH+]C[C@@H](C3CC3)S2)CC1 ZINC000071307752 176116270 /nfs/dbraw/zinc/11/62/70/176116270.db2.gz BZCULZRBGLMLKT-LBPRGKRZSA-N 2 0 253.415 1.799 10 0 CDAERP CCCN(CC[C@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH2+]C1 ZINC000071330697 176124505 /nfs/dbraw/zinc/12/45/05/176124505.db2.gz SBAZFUHBMQLOJF-HUUCEWRRSA-N 2 0 253.434 1.935 10 0 CDAERP CC(C)(O)C[NH+]1CCN([C@H](C[NH3+])c2cccs2)CC1 ZINC000071380277 176144543 /nfs/dbraw/zinc/14/45/43/176144543.db2.gz LYIZJGBQNXAHIH-GFCCVEGCSA-N 2 0 283.441 1.136 10 0 CDAERP CCC[C@H](CC[NH3+])CCC[NH2+][C@]1(C)CCS(=O)(=O)C1 ZINC000079244564 177455578 /nfs/dbraw/zinc/45/55/78/177455578.db2.gz JTOJMYGUABXJPH-UONOGXRCSA-N 2 0 290.473 1.699 10 0 CDAERP CC[NH2+]Cc1csc(N2CC[C@H]([NH+](C)C)C2)n1 ZINC000079968368 177589918 /nfs/dbraw/zinc/58/99/18/177589918.db2.gz CFAIYKNWZDKJNL-NSHDSACASA-N 2 0 254.403 1.393 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000418580079 287622671 /nfs/dbraw/zinc/62/26/71/287622671.db2.gz SHAVRJNIYBBJPY-ILXRZTDVSA-N 2 0 294.443 1.254 10 0 CDAERP CC1(CNC(=O)c2ccccc2CC[NH3+])CC[NH2+]CC1 ZINC000518787543 262172804 /nfs/dbraw/zinc/17/28/04/262172804.db2.gz JRSBAEOFWHRTRE-UHFFFAOYSA-N 2 0 275.396 1.307 10 0 CDAERP Cc1cc(C)n2c(C[NH2+][C@@H]3CC[C@H](C[NH3+])C3)cnc2n1 ZINC000415046814 263258302 /nfs/dbraw/zinc/25/83/02/263258302.db2.gz VHRFXDBLWQMPAD-QWHCGFSZSA-N 2 0 273.384 1.563 10 0 CDAERP C[C@@H]1CC[N@H+](Cc2ccc(-n3cncn3)cc2)C[C@@H]1C[NH3+] ZINC000415138168 263275820 /nfs/dbraw/zinc/27/58/20/263275820.db2.gz YMHXHUOVVCFXOZ-HIFRSBDPSA-N 2 0 285.395 1.684 10 0 CDAERP COCC[N@@H+](Cc1cccs1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249109 423790266 /nfs/dbraw/zinc/79/02/66/423790266.db2.gz PIIFWVPURJHJKM-CYBMUJFWSA-N 2 0 296.436 1.718 10 0 CDAERP CN(C(=O)[C@H]1C[C@@]12CCC[NH2+]C2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000655450494 423879253 /nfs/dbraw/zinc/87/92/53/423879253.db2.gz QCOHXZTURKWMMW-LOBYFDBNSA-N 2 0 277.412 1.118 10 0 CDAERP CO[C@@H](C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)C1CCC1 ZINC000662272909 423833969 /nfs/dbraw/zinc/83/39/69/423833969.db2.gz IHJTZXZDBUUQCG-ZNMIVQPWSA-N 2 0 252.402 1.733 10 0 CDAERP CC(C)NC(=O)[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000662316079 423948539 /nfs/dbraw/zinc/94/85/39/423948539.db2.gz IEEGCFXOPQZDOR-LSDHHAIUSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000659543544 424006953 /nfs/dbraw/zinc/00/69/53/424006953.db2.gz QUFQFLMBJNZCPM-UPJWGTAASA-N 2 0 282.432 1.156 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000652224873 424083370 /nfs/dbraw/zinc/08/33/70/424083370.db2.gz JXJHZNZJQRISRN-INIZCTEOSA-N 2 0 296.459 1.359 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000652224516 424083416 /nfs/dbraw/zinc/08/34/16/424083416.db2.gz AMQWNIGATQMDRK-KBPBESRZSA-N 2 0 284.448 1.343 10 0 CDAERP C[N@H+](CCCCNC(=O)NCCC1(C[NH3+])CC1)C1CC1 ZINC000652199391 424047318 /nfs/dbraw/zinc/04/73/18/424047318.db2.gz OTHFWFICIWHIRM-UHFFFAOYSA-N 2 0 282.432 1.289 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000662473153 424119646 /nfs/dbraw/zinc/11/96/46/424119646.db2.gz YBWCUMYQKUYVRQ-KKUMJFAQSA-N 2 0 283.460 1.939 10 0 CDAERP O=C(NCC[NH2+]C1CCCCCC1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653053621 424177839 /nfs/dbraw/zinc/17/78/39/424177839.db2.gz VZJAXDSHLVTDEC-HZPDHXFCSA-N 2 0 293.455 1.946 10 0 CDAERP [NH3+]C[C@H](NC(=O)C[C@H]([NH3+])c1ccccc1)C(F)(F)F ZINC000655516715 424178892 /nfs/dbraw/zinc/17/88/92/424178892.db2.gz XOLBLCSQTUATBZ-UWVGGRQHSA-N 2 0 275.274 1.082 10 0 CDAERP CCN(C(=O)N[C@@H]1CC[NH+](C)[C@H](C)C1)[C@H]1CC[N@H+](C)C1 ZINC000664216243 424182701 /nfs/dbraw/zinc/18/27/01/424182701.db2.gz GAIITWGDNUVLPT-MCIONIFRSA-N 2 0 282.432 1.205 10 0 CDAERP CC[C@@H](C[NH+]1CCCC1)NC(=O)N(C)CC1C[NH+](C)C1 ZINC000664409526 424257421 /nfs/dbraw/zinc/25/74/21/424257421.db2.gz PKQNCZWAXVKBOM-AWEZNQCLSA-N 2 0 282.432 1.064 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662681315 424301934 /nfs/dbraw/zinc/30/19/34/424301934.db2.gz YRAKQHHTSIOEEY-ZDUSSCGKSA-N 2 0 279.428 1.652 10 0 CDAERP CN(C(=O)[C@H]1[NH2+]CCC1(C)C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000662720286 424372518 /nfs/dbraw/zinc/37/25/18/424372518.db2.gz YOJXFELWKAKYBS-QWHCGFSZSA-N 2 0 265.401 1.070 10 0 CDAERP C[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CS1 ZINC000655716998 424495074 /nfs/dbraw/zinc/49/50/74/424495074.db2.gz RUTLQBBKTAELDZ-MGPQQGTHSA-N 2 0 299.484 1.448 10 0 CDAERP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cnc(C(F)(F)F)nc1 ZINC000665235700 424470606 /nfs/dbraw/zinc/47/06/06/424470606.db2.gz YUHREDSIGFISIJ-SFYZADRCSA-N 2 0 262.279 1.711 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+]2C2CCCCC2)C1 ZINC000529715097 271018866 /nfs/dbraw/zinc/01/88/66/271018866.db2.gz ANXVKXZVLYYXNU-GOEBONIOSA-N 2 0 293.455 1.851 10 0 CDAERP C(C[NH2+][C@H]1CCC[C@@H]([C@H]2CCOC2)C1)CN1CC[NH2+]CC1 ZINC000423194736 275394238 /nfs/dbraw/zinc/39/42/38/275394238.db2.gz YMNHYHKSFFPCFM-IKGGRYGDSA-N 2 0 295.471 1.467 10 0 CDAERP CC(C)=CC[NH2+]CC[C@H](C)NC(=O)Cc1c[nH]cn1 ZINC001668224744 1173383428 /nfs/dbraw/zinc/38/34/28/1173383428.db2.gz WPXHOZIXOXTQFQ-LBPRGKRZSA-N 2 0 264.373 1.403 10 0 CDAERP C[N@@H+]1CCCC12CC[NH+]([C@H]1CCCC[C@@H]1O)CC2 ZINC000336498417 277042407 /nfs/dbraw/zinc/04/24/07/277042407.db2.gz FAOXGIWWPYIHDP-KBPBESRZSA-N 2 0 252.402 1.850 10 0 CDAERP COc1ccccc1N1CC[C@H]([NH2+][C@H](C)C2C[NH2+]C2)C1 ZINC000422879158 278055788 /nfs/dbraw/zinc/05/57/88/278055788.db2.gz UTSVSOYYMMMPKO-OCCSQVGLSA-N 2 0 275.396 1.471 10 0 CDAERP COc1c[nH+]ccc1N1CC[NH+](CCC2(O)CCC2)CC1 ZINC000411667829 278076528 /nfs/dbraw/zinc/07/65/28/278076528.db2.gz WZEMOJCNKWEYJG-UHFFFAOYSA-N 2 0 291.395 1.517 10 0 CDAERP C[C@H](CCCCO)[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000453297586 278169316 /nfs/dbraw/zinc/16/93/16/278169316.db2.gz ZYTGXKJFNVLSKE-BARDWOONSA-N 2 0 254.418 2.000 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000066531547 278351213 /nfs/dbraw/zinc/35/12/13/278351213.db2.gz KROZQEARCRVZIN-KBPBESRZSA-N 2 0 293.455 1.992 10 0 CDAERP CC1(C)C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)C(C)(C)O1 ZINC000151330300 278388514 /nfs/dbraw/zinc/38/85/14/278388514.db2.gz CSDVBVDKNPRDPR-KGLIPLIRSA-N 2 0 284.444 1.769 10 0 CDAERP CC1(C)NC(=O)CC[C@H]1[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423488293 278405750 /nfs/dbraw/zinc/40/57/50/278405750.db2.gz VEBAMOFIKKEQAY-VXGBXAGGSA-N 2 0 253.390 1.165 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2C[C@@H](C)[NH+](C3CC3)C2)C1 ZINC000247099621 279321916 /nfs/dbraw/zinc/32/19/16/279321916.db2.gz ZDFSGNKCDQLICE-RDBSUJKOSA-N 2 0 294.443 1.395 10 0 CDAERP CC[C@@](C)(O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000118942890 279350614 /nfs/dbraw/zinc/35/06/14/279350614.db2.gz ZBAQNFDBRWSKFV-QGZVFWFLSA-N 2 0 298.471 1.972 10 0 CDAERP CC[NH+]1CCC(CC[NH2+][C@@H](C)Cn2cccn2)CC1 ZINC000138638144 279856522 /nfs/dbraw/zinc/85/65/22/279856522.db2.gz XMNURBLGORPNPO-AWEZNQCLSA-N 2 0 264.417 1.983 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2CCC[N@H+](CC)C2)C1 ZINC000246376856 280275500 /nfs/dbraw/zinc/27/55/00/280275500.db2.gz QMVYINRMFFVBRV-HUUCEWRRSA-N 2 0 296.459 1.596 10 0 CDAERP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCCSC2)CC1 ZINC000248384386 280354636 /nfs/dbraw/zinc/35/46/36/280354636.db2.gz DSARUBGNTSUSEL-AWEZNQCLSA-N 2 0 271.474 1.499 10 0 CDAERP CC(C)c1ncc2c(n1)CC[N@@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000527616639 281159865 /nfs/dbraw/zinc/15/98/65/281159865.db2.gz JJRGRGKCQRYKGO-CYBMUJFWSA-N 2 0 274.412 1.958 10 0 CDAERP CCC[C@H](C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C)[NH+](C)C ZINC000153890380 289185224 /nfs/dbraw/zinc/18/52/24/289185224.db2.gz IXNNTXBJBLHHFJ-MELADBBJSA-N 2 0 269.433 1.562 10 0 CDAERP C[C@H]1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])[C@@H](C[NH3+])C1 ZINC000261780665 290537637 /nfs/dbraw/zinc/53/76/37/290537637.db2.gz LBOIGHGWWSFKLP-WUHRBBMRSA-N 2 0 253.390 1.090 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000423017898 293097435 /nfs/dbraw/zinc/09/74/35/293097435.db2.gz PUKNDQPRHWWHHG-REWJHTLYSA-N 2 0 268.401 1.288 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000563107312 293276933 /nfs/dbraw/zinc/27/69/33/293276933.db2.gz KKMDGBXMZBZHCE-KWCYVHTRSA-N 2 0 261.369 1.191 10 0 CDAERP CC[NH2+][C@H](C)CNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000563109461 293277053 /nfs/dbraw/zinc/27/70/53/293277053.db2.gz CRTUVKKIWXDIAF-OLZOCXBDSA-N 2 0 255.406 1.365 10 0 CDAERP [NH3+]C[C@H]1CC[C@H](CNC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)CC1 ZINC000568372459 294022477 /nfs/dbraw/zinc/02/24/77/294022477.db2.gz ARHXBGDHCVKLFI-UMVBOHGHSA-N 2 0 294.443 1.287 10 0 CDAERP CC(C)OC(=O)CC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000568392506 294027396 /nfs/dbraw/zinc/02/73/96/294027396.db2.gz FRECWMGCAUFZAM-AWEZNQCLSA-N 2 0 254.374 1.404 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000568702296 294083919 /nfs/dbraw/zinc/08/39/19/294083919.db2.gz CIGWOIDZJFTOQL-IHRRRGAJSA-N 2 0 269.433 1.562 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)[C@H]([NH3+])CC(F)F)CC1 ZINC000568863980 294113198 /nfs/dbraw/zinc/11/31/98/294113198.db2.gz OJMWBEWZXDXCPE-VQXHTEKXSA-N 2 0 277.359 1.206 10 0 CDAERP Cc1cc(C)n(CCC[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)n1 ZINC000570832363 294318917 /nfs/dbraw/zinc/31/89/17/294318917.db2.gz NRUGVNKEBRWVNM-CABCVRRESA-N 2 0 264.417 1.868 10 0 CDAERP C[C@]1(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)CC[NH2+]C1 ZINC000261941872 300795923 /nfs/dbraw/zinc/79/59/23/300795923.db2.gz DUORBAUVCUXXPA-CABCVRRESA-N 3 0 251.418 1.450 10 0 CDAERP Cc1nocc1C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001670041856 1173648766 /nfs/dbraw/zinc/64/87/66/1173648766.db2.gz KSMXEVRQWCZCPJ-CQSZACIVSA-N 2 0 294.399 1.015 10 0 CDAERP CN(CCC[NH2+]CCCF)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001670143536 1173657862 /nfs/dbraw/zinc/65/78/62/1173657862.db2.gz FCFFWGLPJMFOBC-CYBMUJFWSA-N 2 0 273.396 1.268 10 0 CDAERP CO[C@H](C)C[NH2+]CCCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001670291816 1173671187 /nfs/dbraw/zinc/67/11/87/1173671187.db2.gz YNKVGMRRKAFTFV-OAHLLOKOSA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@@H]1CCCC[C@@H]1C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000566615050 316641179 /nfs/dbraw/zinc/64/11/79/316641179.db2.gz FCGQIEMIJHVAME-ZACQAIPSSA-N 2 0 297.487 1.401 10 0 CDAERP COC[C@H](C)C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000575106175 316958760 /nfs/dbraw/zinc/95/87/60/316958760.db2.gz DSRUFDIVPDORHK-BPLDGKMQSA-N 2 0 270.417 1.487 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCOCC2)C[C@H](C)O1 ZINC000576909473 317228698 /nfs/dbraw/zinc/22/86/98/317228698.db2.gz XOVISEIFFYMFOF-QDMKHBRRSA-N 2 0 270.417 1.644 10 0 CDAERP C[N@@H+]1CC[C@@](O)(CNCc2ccnn2-c2ccccc2)C1 ZINC000576934290 317232535 /nfs/dbraw/zinc/23/25/35/317232535.db2.gz UFODAUGODAQQRY-MRXNPFEDSA-N 2 0 286.379 1.029 10 0 CDAERP CC(C)[NH2+]CCC(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000577367582 317314767 /nfs/dbraw/zinc/31/47/67/317314767.db2.gz WWXSVZNNGBXZTI-UHFFFAOYSA-N 2 0 296.440 1.937 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](CC[NH2+]CCCF)C2)C1 ZINC001672911190 1173808050 /nfs/dbraw/zinc/80/80/50/1173808050.db2.gz RHWSMYLWEQHFHN-KGLIPLIRSA-N 2 0 285.407 1.126 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)N(C)CCC[NH+](C)C)CC1 ZINC000185230164 323386807 /nfs/dbraw/zinc/38/68/07/323386807.db2.gz LSLZYQXYNDBBAH-UHFFFAOYSA-N 2 0 284.448 1.452 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000193170826 323527043 /nfs/dbraw/zinc/52/70/43/323527043.db2.gz JMYSRLDKSJCALS-NSHDSACASA-N 2 0 253.390 1.104 10 0 CDAERP C[N@H+](C[C@@H](O)CNCc1ccc2ccccc2n1)C1CC1 ZINC000579582324 324222769 /nfs/dbraw/zinc/22/27/69/324222769.db2.gz VQQHMWNBYAPUMZ-INIZCTEOSA-N 2 0 285.391 1.780 10 0 CDAERP CC(C)[NH2+]CCC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000582543995 324995849 /nfs/dbraw/zinc/99/58/49/324995849.db2.gz MJHZDAMEGJXTMC-ZIAGYGMSSA-N 2 0 269.433 1.754 10 0 CDAERP C[C@@]1(F)C[NH2+]CCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000583817332 325246769 /nfs/dbraw/zinc/24/67/69/325246769.db2.gz HSNXUTBHBYPKMR-MRXNPFEDSA-N 2 0 277.387 1.466 10 0 CDAERP CC1CC(C[NH2+][C@H]2CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001267022126 1159090478 /nfs/dbraw/zinc/09/04/78/1159090478.db2.gz BBJFMFYTHFSNFT-GPANFISMSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001267220740 1159186655 /nfs/dbraw/zinc/18/66/55/1159186655.db2.gz FFCXIHLKDUWQJS-KGLIPLIRSA-N 2 0 267.417 1.460 10 0 CDAERP CCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001700922831 1177196327 /nfs/dbraw/zinc/19/63/27/1177196327.db2.gz XEGNWEZOAVYKPJ-GFCCVEGCSA-N 2 0 255.406 1.175 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)C1(CO)CCC1 ZINC000668802266 482335149 /nfs/dbraw/zinc/33/51/49/482335149.db2.gz JFQXHEPFNNNTRS-UHFFFAOYSA-N 2 0 286.379 1.923 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000662620776 482408869 /nfs/dbraw/zinc/40/88/69/482408869.db2.gz BCMQQTXTJIZZEZ-TUAOUCFPSA-N 2 0 253.390 1.103 10 0 CDAERP C[NH+](C)[C@H]1CCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000211950384 482449880 /nfs/dbraw/zinc/44/98/80/482449880.db2.gz HPDOPQMQVIIBGW-INIZCTEOSA-N 2 0 259.397 1.468 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000652291752 482459036 /nfs/dbraw/zinc/45/90/36/482459036.db2.gz GMAIWMWMJKUHPE-OLZOCXBDSA-N 2 0 290.411 1.298 10 0 CDAERP CC[NH+](CC)[C@@H](CNC(=O)NC/C=C\C[NH3+])CC(C)C ZINC000669042710 482460929 /nfs/dbraw/zinc/46/09/29/482460929.db2.gz VPBPYSNKOIMNFJ-WBTMPAOCSA-N 2 0 284.448 1.557 10 0 CDAERP [NH3+]C[C@H](C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(F)cc1 ZINC000358854455 482479530 /nfs/dbraw/zinc/47/95/30/482479530.db2.gz KCZHVWXXBJNUFO-RDBSUJKOSA-N 2 0 279.359 1.254 10 0 CDAERP C[C@@H]([NH2+]CC1CCC(O)CC1)C1CC[NH+](C)CC1 ZINC000227635512 482516822 /nfs/dbraw/zinc/51/68/22/482516822.db2.gz KBBIKXIZUDOYSY-DNOWBOINSA-N 2 0 254.418 1.857 10 0 CDAERP [NH3+][C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1cccc(Cl)c1 ZINC000669514788 482535156 /nfs/dbraw/zinc/53/51/56/482535156.db2.gz IHRXNLOLRMHOBR-MJBXVCDLSA-N 2 0 293.798 1.693 10 0 CDAERP CC[C@@H]1CN(C(=O)NC[C@@H](C)[NH+](CC)CC)CC[C@H]1[NH3+] ZINC000669286308 482648268 /nfs/dbraw/zinc/64/82/68/482648268.db2.gz CXBKNNZEDZNOAT-MGPQQGTHSA-N 2 0 284.448 1.486 10 0 CDAERP CC(C)[NH2+]CCC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000251919450 482705119 /nfs/dbraw/zinc/70/51/19/482705119.db2.gz XVTDMNJPIWPJHY-OLZOCXBDSA-N 2 0 253.390 1.070 10 0 CDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C[NH2+]C1CC1 ZINC000237590013 482734378 /nfs/dbraw/zinc/73/43/78/482734378.db2.gz VHUIBKCFHKPVBF-CYBMUJFWSA-N 2 0 275.396 1.375 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC/C=C\C[NH3+] ZINC000669365948 482747112 /nfs/dbraw/zinc/74/71/12/482747112.db2.gz MYMLOSUNWDFKSR-NQHOJNORSA-N 2 0 282.432 1.455 10 0 CDAERP CC[C@H]1CN(C(=O)NC[C@@H](C)[NH+](CC)CC)CC[C@@H]1[NH3+] ZINC000669574045 482769790 /nfs/dbraw/zinc/76/97/90/482769790.db2.gz CXBKNNZEDZNOAT-RDBSUJKOSA-N 2 0 284.448 1.486 10 0 CDAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCC[C@H](OC)C2)CC1 ZINC000684376904 482781025 /nfs/dbraw/zinc/78/10/25/482781025.db2.gz GPNWQTGOJWMILD-IKGGRYGDSA-N 2 0 297.487 1.807 10 0 CDAERP CO[C@@H]1CCC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000684383527 482784317 /nfs/dbraw/zinc/78/43/17/482784317.db2.gz BYCLFASRPWBUOD-YLFCFFPRSA-N 2 0 296.455 1.911 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000094647895 482799202 /nfs/dbraw/zinc/79/92/02/482799202.db2.gz IXXBSOLMWUWJJI-JSGCOSHPSA-N 2 0 267.417 1.223 10 0 CDAERP C[N@H+](CCc1ccc(F)cc1)C[C@H]1CNCCO1 ZINC000258843677 482808134 /nfs/dbraw/zinc/80/81/34/482808134.db2.gz FIHVMHAMVUHUFK-CQSZACIVSA-N 2 0 252.333 1.288 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000673703344 482822359 /nfs/dbraw/zinc/82/23/59/482822359.db2.gz OUJZKITWFYSZCI-CABCVRRESA-N 2 0 294.443 1.208 10 0 CDAERP [NH3+][C@@H](CC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000335849408 482876933 /nfs/dbraw/zinc/87/69/33/482876933.db2.gz MBMZWRONGYDEIT-DOTOQJQBSA-N 2 0 287.407 1.679 10 0 CDAERP CN(CCC[NH+](C)C)CCNC(=O)NCC1=CCCC1 ZINC000666950483 483014732 /nfs/dbraw/zinc/01/47/32/483014732.db2.gz URLIAADXJBSDEL-UHFFFAOYSA-N 2 0 282.432 1.279 10 0 CDAERP C[C@H](NC(=O)N[C@@H]1CCC[N@H+](C)C1)C(C)(C)C[NH+](C)C ZINC000674718414 483090508 /nfs/dbraw/zinc/09/05/08/483090508.db2.gz RRYSXTZJFPTLTP-QWHCGFSZSA-N 2 0 284.448 1.356 10 0 CDAERP c1cc(CN2CC[NH+](C3CC3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000667496357 483318925 /nfs/dbraw/zinc/31/89/25/483318925.db2.gz RIWZAFFRLIRPLS-UHFFFAOYSA-N 2 0 283.379 1.547 10 0 CDAERP CN1CC[NH+](CCCC[NH2+][C@@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667783769 483424881 /nfs/dbraw/zinc/42/48/81/483424881.db2.gz ZJQDGYLDRLBLIU-HOTGVXAUSA-N 2 0 281.444 1.171 10 0 CDAERP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]C2CSC2)C1 ZINC000679840659 483450417 /nfs/dbraw/zinc/45/04/17/483450417.db2.gz AKSQJJYELLDMFU-HNNXBMFYSA-N 2 0 278.421 1.458 10 0 CDAERP C[C@@H]1C[C@H]([NH2+][C@@H]2CO[C@H](C3CC3)C2)CN1C1CC1 ZINC000667905259 483475534 /nfs/dbraw/zinc/47/55/34/483475534.db2.gz MAQPAEOZONKALG-HTUGSXCWSA-N 2 0 250.386 1.769 10 0 CDAERP CC(C)[NH+]1CCN(CC[NH2+]Cc2ccccc2)CC1 ZINC000053382742 519682133 /nfs/dbraw/zinc/68/21/33/519682133.db2.gz COVNUOVZEIDTQX-UHFFFAOYSA-N 2 0 261.413 1.802 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)NC[C@@H](C(CC)CC)[NH+](C)C ZINC000061267227 519962865 /nfs/dbraw/zinc/96/28/65/519962865.db2.gz JVSVZDNQUUDOBE-JSGCOSHPSA-N 2 0 271.449 1.715 10 0 CDAERP CCC[NH2+]Cc1cn(CC[N@@H+]2CCC[C@H]2C)nn1 ZINC000052375923 519961614 /nfs/dbraw/zinc/96/16/14/519961614.db2.gz JQFQRZYFUIXDLZ-GFCCVEGCSA-N 2 0 251.378 1.262 10 0 CDAERP CC1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC(C)(C)[NH2+]1 ZINC001772481457 1161071886 /nfs/dbraw/zinc/07/18/86/1161071886.db2.gz GLVHZVDDIOOKEK-AWEZNQCLSA-N 2 0 293.455 1.992 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000061269986 520167349 /nfs/dbraw/zinc/16/73/49/520167349.db2.gz KLJZQTYRBXAFNF-OLZOCXBDSA-N 2 0 255.406 1.365 10 0 CDAERP C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1[NH2+]CCCF ZINC001673911196 1161405983 /nfs/dbraw/zinc/40/59/83/1161405983.db2.gz KVDKVCJDLWBYQE-LSDHHAIUSA-N 2 0 299.434 1.514 10 0 CDAERP C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC[NH+](CCF)CC1 ZINC001486448903 1161455518 /nfs/dbraw/zinc/45/55/18/1161455518.db2.gz GCIZNTZWFQBJQD-KBPBESRZSA-N 2 0 299.434 1.514 10 0 CDAERP C[C@H](C[NH2+]CCC(C)(C)C)NC(=O)CC[NH+](C)C ZINC001715947098 1179934301 /nfs/dbraw/zinc/93/43/01/1179934301.db2.gz OGFMCKJHODZSLJ-GFCCVEGCSA-N 2 0 257.422 1.469 10 0 CDAERP C[NH2+]Cc1cc(CN2CC[NH+](C3CC3)CC2)c(C)o1 ZINC000052371412 522108372 /nfs/dbraw/zinc/10/83/72/522108372.db2.gz PJDIISNEANQNFE-UHFFFAOYSA-N 2 0 263.385 1.587 10 0 CDAERP CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001725143154 1181880993 /nfs/dbraw/zinc/88/09/93/1181880993.db2.gz NHLWMSPVUGNSMQ-CYBMUJFWSA-N 2 0 271.449 1.811 10 0 CDAERP CCCCC[N@@H+]1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001733223928 1183351203 /nfs/dbraw/zinc/35/12/03/1183351203.db2.gz QRHLTJALVPWKNL-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP C(CN1CCC(C[NH+]2CCCC2)CC1)[NH2+]C[C@@H]1CCCO1 ZINC000062037301 518387020 /nfs/dbraw/zinc/38/70/20/518387020.db2.gz DTDLLIHWMVYEPN-KRWDZBQOSA-N 2 0 295.471 1.563 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)[C@](C)([NH3+])c1ccccc1 ZINC000052882317 519716088 /nfs/dbraw/zinc/71/60/88/519716088.db2.gz QDDSVDXETIAVFH-QGZVFWFLSA-N 2 0 291.439 1.907 10 0 CDAERP CC(C)[NH2+]CCCC(=O)NCC[NH+]1CCCCC1 ZINC000049575471 519720499 /nfs/dbraw/zinc/72/04/99/519720499.db2.gz VXEDRGSRDDEQSD-UHFFFAOYSA-N 2 0 255.406 1.367 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C)[C@@H]([NH3+])C2)CC1 ZINC000055132077 519724982 /nfs/dbraw/zinc/72/49/82/519724982.db2.gz UOWXVRPXHDAFTA-ZNMIVQPWSA-N 2 0 281.444 1.550 10 0 CDAERP CC(C)C[NH+]1CCN(C[C@H]2CC[C@@H](C[NH2+]C(C)C)O2)CC1 ZINC000055082824 519726709 /nfs/dbraw/zinc/72/67/09/519726709.db2.gz JEDRPNYOMRANCE-DLBZAZTESA-N 2 0 297.487 1.806 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)N1CC[NH+](CC2CC2)CC1 ZINC000052372405 519744459 /nfs/dbraw/zinc/74/44/59/519744459.db2.gz GDYCLKKMFGSEPD-CQSZACIVSA-N 2 0 253.434 1.648 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CC[C@@H](COCC[NH+](C)C)O1 ZINC000052669887 519746406 /nfs/dbraw/zinc/74/64/06/519746406.db2.gz WPHNEDGTDJGYAN-KGLIPLIRSA-N 2 0 258.406 1.358 10 0 CDAERP CC(C)C[NH2+]C[C@]1(C[N@@H+]2CCC[C@@H]2CO)CCOC1 ZINC000051254996 519746692 /nfs/dbraw/zinc/74/66/92/519746692.db2.gz BNYAXDVPNXAPNK-CABCVRRESA-N 2 0 270.417 1.095 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)N1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602597 519793156 /nfs/dbraw/zinc/79/31/56/519793156.db2.gz OBORXYNTCQEDNN-JALIKCBVSA-N 2 0 253.434 1.917 10 0 CDAERP CCCC1(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC[NH2+]CC1 ZINC000062848799 519887804 /nfs/dbraw/zinc/88/78/04/519887804.db2.gz LFHRCUBQYZVPRJ-AWEZNQCLSA-N 2 0 293.455 1.757 10 0 CDAERP CCC[NH2+]CC1(CN2CC[NH+](C3CC3)CC2)CCOCC1 ZINC000052198071 519911128 /nfs/dbraw/zinc/91/11/28/519911128.db2.gz UTENOVKZTPLRAE-UHFFFAOYSA-N 2 0 295.471 1.563 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)NC[C@H](C(CC)CC)[NH+](C)C ZINC000061267230 519936236 /nfs/dbraw/zinc/93/62/36/519936236.db2.gz JVSVZDNQUUDOBE-TZMCWYRMSA-N 2 0 271.449 1.715 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@@H](C[NH+](CCOC)CCOC)O1 ZINC000052571488 519936373 /nfs/dbraw/zinc/93/63/73/519936373.db2.gz HZHWHGPPYCRHNM-CABCVRRESA-N 2 0 288.432 1.128 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@H](C[NH+](CCOC)CCOC)O1 ZINC000052571486 519938290 /nfs/dbraw/zinc/93/82/90/519938290.db2.gz HZHWHGPPYCRHNM-HUUCEWRRSA-N 2 0 288.432 1.128 10 0 CDAERP CCC[NH2+][C@@H]1CCOC[C@H]1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062979576 520025415 /nfs/dbraw/zinc/02/54/15/520025415.db2.gz BKZGEROIHXOTTA-GVDBMIGSSA-N 2 0 295.471 1.704 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000061271091 520063975 /nfs/dbraw/zinc/06/39/75/520063975.db2.gz CRLVDERSNNWCKT-LBPRGKRZSA-N 2 0 255.406 1.364 10 0 CDAERP CC[NH2+][C@@](C)(CO)C[C@@H](C)N1CC[C@H]([NH+](CC)CC)C1 ZINC000070337396 520137418 /nfs/dbraw/zinc/13/74/18/520137418.db2.gz ATTASTLYVMECLU-OWCLPIDISA-N 2 0 285.476 1.542 10 0 CDAERP CC[NH2+][C@@](C)(C[C@@H](C)N1CC[NH+]([C@@H](C)CC)CC1)C(N)=O ZINC000068642489 520138130 /nfs/dbraw/zinc/13/81/30/520138130.db2.gz VLKJRDXRRVKSKY-LZWOXQAQSA-N 2 0 298.475 1.035 10 0 CDAERP CC[NH+](CC)CCCN1CC[C@H](C[NH2+]C2CC2)C1 ZINC000053012703 520610849 /nfs/dbraw/zinc/61/08/49/520610849.db2.gz GPVOARWGGXOKEO-CQSZACIVSA-N 2 0 253.434 1.792 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000337329345 520855029 /nfs/dbraw/zinc/85/50/29/520855029.db2.gz SEVRKSQMHSRVCY-KFWWJZLASA-N 2 0 296.459 1.643 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000055090310 521551910 /nfs/dbraw/zinc/55/19/10/521551910.db2.gz AHLPCANLYFLGEU-KBPBESRZSA-N 2 0 267.417 1.352 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)[C@H]2CC[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000055129421 521555901 /nfs/dbraw/zinc/55/59/01/521555901.db2.gz DHAQEWGRIMSBOH-GUTXKFCHSA-N 2 0 281.444 1.693 10 0 CDAERP CCCN(CC[NH2+]CCCCOCC)CC[NH+](C)C ZINC000053436080 521661255 /nfs/dbraw/zinc/66/12/55/521661255.db2.gz BVWXXDREQCKYTR-UHFFFAOYSA-N 2 0 273.465 1.666 10 0 CDAERP CCC1(C)CC[NH+](CC(=O)N(C)CCC[NH3+])CC1 ZINC000062952152 521677798 /nfs/dbraw/zinc/67/77/98/521677798.db2.gz HZOQPTMIZMQKAQ-UHFFFAOYSA-N 2 0 255.406 1.306 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000246199675 521718255 /nfs/dbraw/zinc/71/82/55/521718255.db2.gz DWJSCQVSUVKERY-MJBXVCDLSA-N 2 0 267.417 1.317 10 0 CDAERP C[NH+](C)CCN1CCN(C[C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000061653801 521765795 /nfs/dbraw/zinc/76/57/95/521765795.db2.gz IRXFJZAUGFZOPX-CVEARBPZSA-N 2 0 282.476 1.073 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000061645029 521832214 /nfs/dbraw/zinc/83/22/14/521832214.db2.gz OSIWPZAUCANTDG-AJNGGQMLSA-N 2 0 279.428 1.460 10 0 CDAERP C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CC[N@H+](C)C(C)C ZINC000054602293 521952573 /nfs/dbraw/zinc/95/25/73/521952573.db2.gz HFPLGVUPPGLMLJ-GOOCMWNKSA-N 2 0 253.434 1.932 10 0 CDAERP C[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)Cc2cccs2)O1 ZINC000052456343 522058266 /nfs/dbraw/zinc/05/82/66/522058266.db2.gz AHPKPXVXJVWQLL-RYUDHWBXSA-N 2 0 254.399 1.947 10 0 CDAERP C[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)Cc2cccs2)O1 ZINC000052456340 522058661 /nfs/dbraw/zinc/05/86/61/522058661.db2.gz AHPKPXVXJVWQLL-NWDGAFQWSA-N 2 0 254.399 1.947 10 0 CDAERP C[NH2+]C[C@H]1CC[C@@H](CN2CCC([NH+]3CCCCC3)CC2)O1 ZINC000052484243 522094242 /nfs/dbraw/zinc/09/42/42/522094242.db2.gz BNQULBFAFQRFQH-SJORKVTESA-N 2 0 295.471 1.704 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)C2CCC([NH3+])CC2)CC1 ZINC000055077804 522109011 /nfs/dbraw/zinc/10/90/11/522109011.db2.gz PDSUCLXHGAKAQG-IYXRBSQSSA-N 2 0 267.417 1.447 10 0 CDAERP C[NH2+]Cc1ccc(OCC[N@H+](C)[C@H](C)COC)cc1 ZINC000052511657 522122400 /nfs/dbraw/zinc/12/24/00/522122400.db2.gz DFLKJBAZKFUHRH-CYBMUJFWSA-N 2 0 266.385 1.752 10 0 CDAERP CC[C@@H](C)[NH+]1CCN([C@H]2COc3ccccc3[C@@H]2[NH3+])CC1 ZINC000055065288 522131869 /nfs/dbraw/zinc/13/18/69/522131869.db2.gz IDJNMCZZXMZFKX-KMFMINBZSA-N 2 0 289.423 1.864 10 0 CDAERP C[NH2+]Cc1cn(CC[N@@H+]2CC[C@@H](c3ccccc3)C2)nn1 ZINC000052373089 522143618 /nfs/dbraw/zinc/14/36/18/522143618.db2.gz NRWFITGMNYHXKV-OAHLLOKOSA-N 2 0 285.395 1.487 10 0 CDAERP C[NH2+]Cc1nc(CN2CC[NH+](C3CCCC3)CC2)cs1 ZINC000052573424 522152381 /nfs/dbraw/zinc/15/23/81/522152381.db2.gz UTKJXCXSOSMIAC-UHFFFAOYSA-N 2 0 294.468 1.923 10 0 CDAERP C[NH2+][C@@H]1c2ccccc2OC[C@@H]1N1CCC[C@@H]1C[NH+](C)C ZINC000061643662 522403471 /nfs/dbraw/zinc/40/34/71/522403471.db2.gz NRNUSKPWWOMKIR-UKPHBRMFSA-N 2 0 289.423 1.734 10 0 CDAERP CC[C@@H]1CCC(=O)[C@H](C[NH+]2CCN(CC[NH+](C)C)CC2)C1 ZINC000061653423 523140498 /nfs/dbraw/zinc/14/04/98/523140498.db2.gz XUCUQNKCAXOFPK-CVEARBPZSA-N 2 0 295.471 1.561 10 0 CDAERP CC[C@@H]1CCC[N@@H+]1CCn1cc(C[NH2+]C(C)C)nn1 ZINC000052375168 523268006 /nfs/dbraw/zinc/26/80/06/523268006.db2.gz WLRRIWYQOAOCDD-CQSZACIVSA-N 2 0 265.405 1.651 10 0 CDAERP C[N@H+](Cc1cccc(F)c1)CC1(O)CC[NH2+]CC1 ZINC000051016255 523311897 /nfs/dbraw/zinc/31/18/97/523311897.db2.gz XEAVWOVLUDNMKE-UHFFFAOYSA-N 2 0 252.333 1.372 10 0 CDAERP CC[C@H]1CO[C@@H](C)CN1C1(C[NH3+])CC[NH+](CC)CC1 ZINC000048914293 523344721 /nfs/dbraw/zinc/34/47/21/523344721.db2.gz CRIOSGMBNLPOMD-KBPBESRZSA-N 2 0 269.433 1.299 10 0 CDAERP CC[C@H]1CO[C@@H](C)C[N@@H+]1CC1(C[NH3+])CCOCC1 ZINC000052197602 523345042 /nfs/dbraw/zinc/34/50/42/523345042.db2.gz LVFCWKBEAGWUQU-STQMWFEESA-N 2 0 256.390 1.241 10 0 CDAERP CC[C@]1(C(=O)N2CC[NH+](C3CCCC3)CC2)CC[NH2+]C1 ZINC000062903833 523535712 /nfs/dbraw/zinc/53/57/12/523535712.db2.gz HERHYGDQMXHYDA-INIZCTEOSA-N 2 0 279.428 1.463 10 0 CDAERP CN([C@H]1CCC[N@H+](C)C1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000069267056 523629411 /nfs/dbraw/zinc/62/94/11/523629411.db2.gz DISDEVQHFZEZKO-GOEBONIOSA-N 2 0 259.397 1.857 10 0 CDAERP CC[C@@](C)(C[NH3+])N1CCC(C[NH+]2CCCC2)CC1 ZINC000062050479 523640398 /nfs/dbraw/zinc/64/03/98/523640398.db2.gz SDZMJADKSAMCEI-HNNXBMFYSA-N 2 0 253.434 1.922 10 0 CDAERP COCC[N@H+](CCC[NH2+]CC(C)C)[C@@H](C)COC ZINC000052572310 523693882 /nfs/dbraw/zinc/69/38/82/523693882.db2.gz ZAUWNYCINWHTEX-AWEZNQCLSA-N 2 0 260.422 1.605 10 0 CDAERP CN(C(=O)[C@@H]1CCCC[C@@H]1[NH3+])[C@H]1CCC[N@H+](C)C1 ZINC000055088135 523894342 /nfs/dbraw/zinc/89/43/42/523894342.db2.gz HQWJASZUTJMSIT-XQQFMLRXSA-N 2 0 253.390 1.057 10 0 CDAERP CC[C@H](C)[N@H+](CCOC)Cc1cc[nH+]c(NN)c1 ZINC000052721529 523938946 /nfs/dbraw/zinc/93/89/46/523938946.db2.gz XLDWTIQAZPULAU-NSHDSACASA-N 2 0 252.362 1.614 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)CC[C@H]2CCCC[NH2+]2)CC1 ZINC000055078207 523948556 /nfs/dbraw/zinc/94/85/56/523948556.db2.gz WSXDPFFDESMWOG-LSDHHAIUSA-N 2 0 281.444 1.851 10 0 CDAERP CNC(=O)CCC[N@@H+]1CCC[C@@H](C[NH2+]C(C)(C)C)C1 ZINC000068847549 524063474 /nfs/dbraw/zinc/06/34/74/524063474.db2.gz KXQYCDQKBCERHG-ZDUSSCGKSA-N 2 0 269.433 1.613 10 0 CDAERP C[C@H]1CCC[C@@H](C(=O)N2CCC([NH+](C)C)CC2)[C@@H]1[NH3+] ZINC000055128220 524124240 /nfs/dbraw/zinc/12/42/40/524124240.db2.gz IXBJTYHFMFWFJN-IACUBPJLSA-N 2 0 267.417 1.303 10 0 CDAERP COc1cccc([C@H](C[NH3+])N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000062963947 524158843 /nfs/dbraw/zinc/15/88/43/524158843.db2.gz RCUXVFFYSAKYHL-HIFRSBDPSA-N 2 0 263.385 1.331 10 0 CDAERP C[C@@H]1CCC[C@H](C(=O)N2CCC[C@@H]2C[NH+](C)C)[C@@H]1[NH3+] ZINC000061656194 524343836 /nfs/dbraw/zinc/34/38/36/524343836.db2.gz BUYFAHHGJGBDGA-YIYPIFLZSA-N 2 0 267.417 1.303 10 0 CDAERP Cc1ccc(CN(CC[NH+](C)C)C(=O)CC[C@H](C)[NH3+])o1 ZINC000070316997 524407237 /nfs/dbraw/zinc/40/72/37/524407237.db2.gz RPQJFWFGQXICFL-LBPRGKRZSA-N 2 0 281.400 1.606 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCCC[C@@H]1[NH3+])[NH+]1CCCCC1 ZINC000055089017 524438756 /nfs/dbraw/zinc/43/87/56/524438756.db2.gz BFNPPOJQYHSIMG-MCIONIFRSA-N 2 0 267.417 1.495 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[C@H]([NH3+])C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000246263874 524439665 /nfs/dbraw/zinc/43/96/65/524439665.db2.gz LGHPZJYOEPYRAG-SYQHCUMBSA-N 2 0 267.417 1.350 10 0 CDAERP C[C@H](C[NH2+]C1CC1)N1CC[NH+](C2CCCC2)CC1 ZINC000052573454 524479167 /nfs/dbraw/zinc/47/91/67/524479167.db2.gz FWDVLFZZHGTJLB-CYBMUJFWSA-N 2 0 251.418 1.687 10 0 CDAERP C[C@@H]1CC[C@@H](C(=O)N2CC[NH+](C3CCCC3)CC2)C[C@@H]1[NH3+] ZINC000055132583 524554821 /nfs/dbraw/zinc/55/48/21/524554821.db2.gz ODEPPUZQZKREOG-FMKPAKJESA-N 2 0 293.455 1.837 10 0 CDAERP C[C@@H](CN1CCOCC1)[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000052206007 524629333 /nfs/dbraw/zinc/62/93/33/524629333.db2.gz BGGUIFJWBSRHCD-GJZGRUSLSA-N 2 0 269.433 1.171 10 0 CDAERP C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc(F)ccc1C[NH3+] ZINC000069401390 524646237 /nfs/dbraw/zinc/64/62/37/524646237.db2.gz QOBKXPOOLWGADQ-PWSUYJOCSA-N 2 0 279.359 1.370 10 0 CDAERP C[C@@H]1CC[C@H](C)[C@H]([N@@H+]2CCC[C@@H]2C(=O)N2CC[NH2+]CC2)C1 ZINC000068632395 524658774 /nfs/dbraw/zinc/65/87/74/524658774.db2.gz JAQRJOJOTPILMT-QKPAOTATSA-N 2 0 293.455 1.707 10 0 CDAERP COc1ccc([C@@H]([NH3+])CN2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000061643511 525189935 /nfs/dbraw/zinc/18/99/35/525189935.db2.gz GMCNPMNXGKRSAB-ZBFHGGJFSA-N 2 0 277.412 1.721 10 0 CDAERP Cc1ccsc1[C@@H](C[NH3+])N1CCN(CC[NH+](C)C)CC1 ZINC000061642432 525870556 /nfs/dbraw/zinc/87/05/56/525870556.db2.gz NZAOBBCQAWKKIC-CQSZACIVSA-N 2 0 296.484 1.236 10 0 CDAERP C[C@@]1([NH2+]CCC[C@H]2CCCC[NH2+]2)CCS(=O)(=O)C1 ZINC000050954044 525874057 /nfs/dbraw/zinc/87/40/57/525874057.db2.gz KHDLYGQVMMTBPU-CHWSQXEVSA-N 2 0 274.430 1.076 10 0 CDAERP C[C@H](C(=O)N(CC[NH+](C)C)C1CCCC1)C1C[NH2+]C1 ZINC000164290753 525948316 /nfs/dbraw/zinc/94/83/16/525948316.db2.gz IPMKXKXDDSGPNV-LBPRGKRZSA-N 2 0 267.417 1.175 10 0 CDAERP O=C(c1ccc2c(c1)C[NH2+]C2)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156709233 526723992 /nfs/dbraw/zinc/72/39/92/526723992.db2.gz BTXBFZPXNBTCHA-OAHLLOKOSA-N 2 0 271.364 1.210 10 0 CDAERP [NH3+]C1CCC([NH2+]C2CCC3(CC2)OCCO3)CC1 ZINC000051693730 527141703 /nfs/dbraw/zinc/14/17/03/527141703.db2.gz AIVKCISWQUJFES-UHFFFAOYSA-N 2 0 254.374 1.532 10 0 CDAERP [NH3+]CC[C@H]1CCC[C@@H](C(=O)N[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000055145784 527195789 /nfs/dbraw/zinc/19/57/89/527195789.db2.gz IHRVWDRHBXGHHM-BPLDGKMQSA-N 2 0 279.428 1.352 10 0 CDAERP [NH3+]C[C@H](CN[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000061613702 527224658 /nfs/dbraw/zinc/22/46/58/527224658.db2.gz QUBOUKJRIDSEOQ-CABCVRRESA-N 2 0 259.397 1.555 10 0 CDAERP [NH3+]C[C@H](C[N@@H+]1CCC[C@@H]1CCCO)c1ccccc1 ZINC000052758259 527224929 /nfs/dbraw/zinc/22/49/29/527224929.db2.gz CVZQBOVLJBVQMB-HZPDHXFCSA-N 2 0 262.397 1.966 10 0 CDAERP [NH3+]C[C@H]1CCCC[C@@H]1[N@H+](CCO)Cc1ccccc1 ZINC000050514170 527232128 /nfs/dbraw/zinc/23/21/28/527232128.db2.gz NHSJYCCYMUITLT-CVEARBPZSA-N 2 0 262.397 1.998 10 0 CDAERP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccccc2C(=O)N(C)C)C1 ZINC000417895023 527814794 /nfs/dbraw/zinc/81/47/94/527814794.db2.gz ZKULQBGPDQORRG-CQSZACIVSA-N 2 0 289.423 1.820 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCCC[NH3+])C1 ZINC000417912857 527984157 /nfs/dbraw/zinc/98/41/57/527984157.db2.gz OZSJFAPYSOEQFG-CYBMUJFWSA-N 2 0 270.421 1.002 10 0 CDAERP CC(C)C[C@H]([NH2+][C@H]1COC(C)(C)C1)C(=O)NCC[NH+](C)C ZINC000417970627 528574539 /nfs/dbraw/zinc/57/45/39/528574539.db2.gz RNNXZHXLBQLRDT-KGLIPLIRSA-N 2 0 299.459 1.236 10 0 CDAERP CC[C@@H](C)[C@@H]([NH3+])C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261736702 535654690 /nfs/dbraw/zinc/65/46/90/535654690.db2.gz MJKAFUOGWSHXIC-FAAHXZRKSA-N 2 0 275.396 1.313 10 0 CDAERP CO[C@H]1C[C@@H](C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)C1 ZINC000872143590 620694880 /nfs/dbraw/zinc/69/48/80/620694880.db2.gz TZHOUBXECQCYKF-AEGPPILISA-N 2 0 252.402 1.733 10 0 CDAERP OCC1(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925527971 617455374 /nfs/dbraw/zinc/45/53/74/617455374.db2.gz BRNQIVLDFKBMPB-UONOGXRCSA-N 2 0 252.402 1.517 10 0 CDAERP CC1(C)[C@@H]([NH2+]CCOC[C@H]2CCOC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925567133 617515489 /nfs/dbraw/zinc/51/54/89/617515489.db2.gz NKHQHIHMOSJPJY-XGUBFFRZSA-N 2 0 282.428 1.406 10 0 CDAERP C(C[NH2+][C@@H]1CC[NH2+]C12CCC2)COC1CCOCC1 ZINC000925569891 617518723 /nfs/dbraw/zinc/51/87/23/617518723.db2.gz AXLPAFHVHASMPE-CQSZACIVSA-N 2 0 268.401 1.446 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CC2(CO)CCOCC2)C1 ZINC000925615736 617560660 /nfs/dbraw/zinc/56/06/60/617560660.db2.gz ICEAEXBCGLDBEN-QWHCGFSZSA-N 2 0 270.417 1.271 10 0 CDAERP c1cnn(CC[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925619986 617566367 /nfs/dbraw/zinc/56/63/67/617566367.db2.gz CHHRXZPLEBZGAK-LSDHHAIUSA-N 2 0 262.401 1.641 10 0 CDAERP COC[C@H](O)CC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925626830 617572878 /nfs/dbraw/zinc/57/28/78/617572878.db2.gz RTJAJODNMYBEMC-RBSFLKMASA-N 2 0 270.417 1.142 10 0 CDAERP CC1(C)C[C@@H]([NH2+]C[C@H]2CCCCS2(=O)=O)C[C@@H]([NH3+])C1 ZINC000925635049 617581159 /nfs/dbraw/zinc/58/11/59/617581159.db2.gz NZCNMVIYFYPPCZ-FRRDWIJNSA-N 2 0 288.457 1.449 10 0 CDAERP C[N@@H+]1CC[C@@H]2C[NH+]([C@H]3CCN(C4CCC4)C3=O)C[C@@H]2C1 ZINC000931442260 617841310 /nfs/dbraw/zinc/84/13/10/617841310.db2.gz ZZOVYMMBCCVWBK-IPYPFGDCSA-N 2 0 277.412 1.023 10 0 CDAERP [NH3+][C@H]1C[C@H]([NH2+]C[C@@H]2Cc3ccccc3CO2)C12CCC2 ZINC000925723676 617884514 /nfs/dbraw/zinc/88/45/14/617884514.db2.gz SZYIOFGUAZAOHK-JYJNAYRXSA-N 2 0 272.392 1.987 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](O)CCc2ccccc2)C12CCC2 ZINC000925647559 617591234 /nfs/dbraw/zinc/59/12/34/617591234.db2.gz DFEVMZMMNPIIHN-XHSDSOJGSA-N 2 0 274.408 1.840 10 0 CDAERP C[C@@H]1[C@@H]([NH2+]Cc2ccnc(OCC[NH+](C)C)c2)CO[C@H]1C ZINC000925653534 617596721 /nfs/dbraw/zinc/59/67/21/617596721.db2.gz MSCUEGALACARRV-YDHLFZDLSA-N 2 0 293.411 1.535 10 0 CDAERP Cc1cccc(CCN2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)n1 ZINC000933733513 617599514 /nfs/dbraw/zinc/59/95/14/617599514.db2.gz KWBXJINTJXBMSX-ZBFHGGJFSA-N 2 0 259.397 1.816 10 0 CDAERP CC(=O)N1CCC[C@H](C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925661295 617606038 /nfs/dbraw/zinc/60/60/38/617606038.db2.gz CXIRPJYVCHKLKV-QLFBSQMISA-N 2 0 281.444 1.741 10 0 CDAERP CC(C)S(=O)(=O)CC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925669199 617626382 /nfs/dbraw/zinc/62/63/82/617626382.db2.gz QMYVTFXYRARRCT-NEPJUHHUSA-N 2 0 276.446 1.305 10 0 CDAERP CC1(C)[C@@H](N[C@H]2CCC[N@H+](CCCO)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925678519 617648585 /nfs/dbraw/zinc/64/85/85/617648585.db2.gz FNPCFNBVDJALMB-FZKCQIBNSA-N 2 0 295.471 1.199 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CNCC2(CCOCC2)C1 ZINC000925799326 617730533 /nfs/dbraw/zinc/73/05/33/617730533.db2.gz SNVGLIDMFSQXHN-UONOGXRCSA-N 2 0 269.433 1.252 10 0 CDAERP CC1(C)[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925697390 617734545 /nfs/dbraw/zinc/73/45/45/617734545.db2.gz FKQMUWSJIBXNRR-RDBSUJKOSA-N 3 0 265.445 1.742 10 0 CDAERP CC[NH2+][C@H](C)CN[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925699667 617740159 /nfs/dbraw/zinc/74/01/59/617740159.db2.gz LNWAWCKJNULDAW-SNPRPXQTSA-N 2 0 253.434 1.742 10 0 CDAERP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc2c(c1)CCO2 ZINC000925808198 617749505 /nfs/dbraw/zinc/74/95/05/617749505.db2.gz AWRDKFISTPCKSL-ZDUSSCGKSA-N 2 0 289.423 1.695 10 0 CDAERP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1cccnc1Cl ZINC000925809024 617751110 /nfs/dbraw/zinc/75/11/10/617751110.db2.gz HFDUCLYRRNNXJV-LLVKDONJSA-N 2 0 282.819 1.809 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000925835629 617864528 /nfs/dbraw/zinc/86/45/28/617864528.db2.gz UXZCVURUDOBCSH-CHWFTXMASA-N 2 0 266.307 1.956 10 0 CDAERP CN(C)[C@H](CC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)C(F)(F)F ZINC000925837088 617867075 /nfs/dbraw/zinc/86/70/75/617867075.db2.gz NNPZSKSUYGFQKI-OUAUKWLOSA-N 2 0 279.350 1.729 10 0 CDAERP CC1(C)C[C@@H]([NH2+]CC[C@H]2CNC(=O)C2)C[C@@H]([NH3+])C1 ZINC000925838862 617869273 /nfs/dbraw/zinc/86/92/73/617869273.db2.gz OOTPUSHUXZNJFC-UTUOFQBUSA-N 2 0 253.390 1.008 10 0 CDAERP C[C@H](NC[C@]12CCC[C@H]1[NH2+]CC2)[C@@H]1CCCC[NH2+]1 ZINC000925838784 617869407 /nfs/dbraw/zinc/86/94/07/617869407.db2.gz OCDHYTPUCRZBAS-BYNSBNAKSA-N 2 0 251.418 1.639 10 0 CDAERP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC[C@@H]1CNC(=O)C1 ZINC000925838732 617869439 /nfs/dbraw/zinc/86/94/39/617869439.db2.gz NULBXPHWSWRDMI-AEGPPILISA-N 2 0 275.396 1.061 10 0 CDAERP COC(=O)C1=CC[C@H]([NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000925723405 617881904 /nfs/dbraw/zinc/88/19/04/617881904.db2.gz QSQARVVZBYGXHI-CRWXNKLISA-N 2 0 278.396 1.614 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000923416230 618326604 /nfs/dbraw/zinc/32/66/04/618326604.db2.gz UTUCPUDUCPTHQD-ONGXEEELSA-N 2 0 268.323 1.607 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](O)c1ccccc1C ZINC000817889185 618483325 /nfs/dbraw/zinc/48/33/25/618483325.db2.gz NQMGHCJRCQVTTO-HIFRSBDPSA-N 2 0 266.385 1.372 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000928429915 618994694 /nfs/dbraw/zinc/99/46/94/618994694.db2.gz YPISDIXISSFVPE-RDBSUJKOSA-N 2 0 267.417 1.317 10 0 CDAERP CC[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(=O)OC ZINC000895127740 619323732 /nfs/dbraw/zinc/32/37/32/619323732.db2.gz PJFBYXJQCUUPOA-CYBMUJFWSA-N 2 0 291.395 1.839 10 0 CDAERP CC[C@@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C(=O)OC ZINC000895140488 619345374 /nfs/dbraw/zinc/34/53/74/619345374.db2.gz RPJSSDJIFIUBKS-NWDGAFQWSA-N 2 0 256.390 1.648 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])NCCC2CC2)C1 ZINC000864455988 620923451 /nfs/dbraw/zinc/92/34/51/620923451.db2.gz DISRNMRQQPGLIK-ZDUSSCGKSA-N 2 0 252.406 1.632 10 0 CDAERP CCC[NH+]1CCC(CNC(=[NH2+])N[C@@H]2C[C@@H]2C)CC1 ZINC000864457913 620925477 /nfs/dbraw/zinc/92/54/77/620925477.db2.gz VRYKKEFEQXJULR-WCQYABFASA-N 2 0 252.406 1.631 10 0 CDAERP C[NH+](C)CCN1CCC([NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)CC1 ZINC000924633748 621614186 /nfs/dbraw/zinc/61/41/86/621614186.db2.gz SLPYOUUOLFDSRR-ZMSDIMECSA-N 2 0 277.456 1.957 10 0 CDAERP CCOCCOCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000927087581 621698067 /nfs/dbraw/zinc/69/80/67/621698067.db2.gz SVDKJOMFDMYOKK-ZNMIVQPWSA-N 2 0 270.417 1.502 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC000900209087 622804825 /nfs/dbraw/zinc/80/48/25/622804825.db2.gz OOZVMJBDJALZMH-OAGGEKHMSA-N 2 0 293.455 1.994 10 0 CDAERP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C12CC[NH+](CC1)C2 ZINC000900343164 622917896 /nfs/dbraw/zinc/91/78/96/622917896.db2.gz ASEYVVOFRMWLGH-UONOGXRCSA-N 2 0 279.428 1.319 10 0 CDAERP O=C(NCCCCC[NH+]1CCCCC1)C12CC[NH+](CC1)C2 ZINC000900658317 623338734 /nfs/dbraw/zinc/33/87/34/623338734.db2.gz GOSNLNRBEQUEIY-UHFFFAOYSA-N 2 0 293.455 1.855 10 0 CDAERP O=C(NCCN1CCSCC1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000900674778 623361682 /nfs/dbraw/zinc/36/16/82/623361682.db2.gz ZTUZBUUYWIJKBY-UONOGXRCSA-N 2 0 297.468 1.168 10 0 CDAERP C1CCC([C@@H]2C[NH2+]CC[C@@H]2N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC000902463202 624855188 /nfs/dbraw/zinc/85/51/88/624855188.db2.gz ZTKJJKWQHGANMP-RFBLXINOSA-N 2 0 263.429 1.637 10 0 CDAERP C[C@H]([NH2+]CCOCC[NH+](C)C)[C@H]1COc2ccccc2C1 ZINC000902970386 625742969 /nfs/dbraw/zinc/74/29/69/625742969.db2.gz MMRZSRGREDTMLW-GOEBONIOSA-N 2 0 292.423 1.794 10 0 CDAERP C[N@@H+]1CC[C@H](NC[C@H]2CCC[NH2+]2)[C@H]1c1ccccc1 ZINC000903458967 625994335 /nfs/dbraw/zinc/99/43/35/625994335.db2.gz OLMKFBXTLALZTD-OWCLPIDISA-N 2 0 259.397 1.773 10 0 CDAERP C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H](C)O1 ZINC000903441998 625996835 /nfs/dbraw/zinc/99/68/35/625996835.db2.gz DZHLZCASWDLPTP-MTSZKFMLSA-N 2 0 295.471 1.687 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@@H]2CC[C@H]([NH3+])C2)C[C@H]1C ZINC000903444600 625998096 /nfs/dbraw/zinc/99/80/96/625998096.db2.gz SHNYFNOTQCOOOM-APIJFGDWSA-N 3 0 253.434 1.918 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)C1 ZINC000903444653 625998456 /nfs/dbraw/zinc/99/84/56/625998456.db2.gz UDKLWAMKLVFTEG-BFHYXJOUSA-N 2 0 289.427 1.531 10 0 CDAERP CO[C@@H]1CC[C@H]2OCCN(C[C@@H]3C[NH2+]C[C@H]3C)[C@@H]2C1 ZINC000903456289 626002430 /nfs/dbraw/zinc/00/24/30/626002430.db2.gz FSVITCYNOJDQSU-XLWJZTARSA-N 2 0 268.401 1.110 10 0 CDAERP C[C@H](C(=O)NCc1cccs1)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496362 626012046 /nfs/dbraw/zinc/01/20/46/626012046.db2.gz LIVQTXLLDKCIRM-JHJVBQTASA-N 2 0 295.452 1.670 10 0 CDAERP [NH3+][C@@H]1CN(C[C@H]2CCC[NH2+]C2)CC[C@@H]1C(F)(F)F ZINC000903533106 626018301 /nfs/dbraw/zinc/01/83/01/626018301.db2.gz AVPJAYPKTBPAJZ-GARJFASQSA-N 2 0 265.323 1.198 10 0 CDAERP C[C@]1([C@@H]2CCC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)COC(=O)N1 ZINC000903562133 626019921 /nfs/dbraw/zinc/01/99/21/626019921.db2.gz ZELHGABZWAYDKA-IIAWOOMASA-N 2 0 295.427 1.587 10 0 CDAERP C(C1CC1)[NH+](CC1CC1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903728463 626066192 /nfs/dbraw/zinc/06/61/92/626066192.db2.gz BZERJTFSOGFXDC-CVEARBPZSA-N 2 0 264.413 1.877 10 0 CDAERP O=C1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]2CCCC[C@@H]2N1 ZINC000903890044 626124403 /nfs/dbraw/zinc/12/44/03/626124403.db2.gz YMGWDCFGVJAUCE-OLMTUDMXSA-N 2 0 277.412 1.260 10 0 CDAERP [NH3+]CCCOC1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903874045 626127654 /nfs/dbraw/zinc/12/76/54/626127654.db2.gz RCTBBYGKJGTLCI-GOOCMWNKSA-N 3 0 281.444 1.347 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCc3ccccc3C2)cnn1C ZINC000903874181 626128191 /nfs/dbraw/zinc/12/81/91/626128191.db2.gz UQLSXASOBDNRMX-OAHLLOKOSA-N 2 0 298.434 1.904 10 0 CDAERP CCCCCN(CCO)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903878880 626130203 /nfs/dbraw/zinc/13/02/03/626130203.db2.gz MHYRUCMLFYBSQN-CQSZACIVSA-N 2 0 295.431 1.187 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@H+]2CC[C@H](C)[C@H]2C)cnn1C ZINC000903899774 626137947 /nfs/dbraw/zinc/13/79/47/626137947.db2.gz USPQLLUMKOPCHF-OUCADQQQSA-N 2 0 264.417 1.576 10 0 CDAERP CCC(C)(CC)[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903900001 626138271 /nfs/dbraw/zinc/13/82/71/626138271.db2.gz XRMDOMINFBYXQM-GFCCVEGCSA-N 2 0 265.405 1.871 10 0 CDAERP CCC1([NH2+]C[C@H](C[NH3+])Cc2cnn(C)c2C)CCC1 ZINC000903902509 626139446 /nfs/dbraw/zinc/13/94/46/626139446.db2.gz IBZFZISDVCZIDZ-ZDUSSCGKSA-N 2 0 264.417 1.768 10 0 CDAERP COC(=O)CC(C)(C)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903902849 626139643 /nfs/dbraw/zinc/13/96/43/626139643.db2.gz OHTFQRIIJUYQFU-YOGCLGLASA-N 2 0 254.374 1.448 10 0 CDAERP CNC(=O)c1cccc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000903922537 626147622 /nfs/dbraw/zinc/14/76/22/626147622.db2.gz YZXONUSKLUGMIE-VHRNVKJDSA-N 2 0 287.407 1.666 10 0 CDAERP CC1(C)CN(CC[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000903924933 626148874 /nfs/dbraw/zinc/14/88/74/626148874.db2.gz KSEQNGFRRDMPLD-GOOCMWNKSA-N 2 0 281.444 1.217 10 0 CDAERP [NH3+]C[C@H]1c2ccccc2CCN1C[C@H]([NH3+])CC(F)F ZINC000903931580 626151754 /nfs/dbraw/zinc/15/17/54/626151754.db2.gz FQQUWNYWSJCYDQ-YPMHNXCESA-N 2 0 269.339 1.527 10 0 CDAERP C1=C(CN[C@H]2C[NH2+]CC3(CCOCC3)C2)COCC1 ZINC000903969685 626167219 /nfs/dbraw/zinc/16/72/19/626167219.db2.gz JAZQYRALMLKSFE-CQSZACIVSA-N 2 0 266.385 1.081 10 0 CDAERP CC[N@@H+]1CC[C@H](NC[C@@H]2C[NH2+]CCC2(F)F)[C@H](C)C1 ZINC000903956385 626167352 /nfs/dbraw/zinc/16/73/52/626167352.db2.gz KKDNRXHBNLGXEM-AGIUHOORSA-N 2 0 275.387 1.551 10 0 CDAERP C[C@@H](O)c1ncc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)s1 ZINC000903977824 626169973 /nfs/dbraw/zinc/16/99/73/626169973.db2.gz BJZMJFUPWTXXCX-GMTAPVOTSA-N 2 0 269.414 1.613 10 0 CDAERP Cc1c(Cl)c(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)nn1C ZINC000903978471 626170055 /nfs/dbraw/zinc/17/00/55/626170055.db2.gz GMKYIXXXBAXFSX-MWLCHTKSSA-N 2 0 270.808 1.717 10 0 CDAERP CC(C)[C@H](C[NH3+])CN1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903981809 626170746 /nfs/dbraw/zinc/17/07/46/626170746.db2.gz HDCAFJDBAUBIAO-OPRDCNLKSA-N 2 0 253.312 1.039 10 0 CDAERP Cc1cc(C)n2c(C[NH2+]C[C@@H]3C[NH2+]C[C@H]3C)cnc2n1 ZINC000903964321 626171615 /nfs/dbraw/zinc/17/16/15/626171615.db2.gz JOYNHQQHXCRYLR-MFKMUULPSA-N 2 0 273.384 1.291 10 0 CDAERP c1ccc2c(c1)OCC[C@H]2CN1CC[NH2+]CC[NH2+]CC1 ZINC000904396540 626273450 /nfs/dbraw/zinc/27/34/50/626273450.db2.gz KFOMIPZOBAXNHE-AWEZNQCLSA-N 2 0 275.396 1.048 10 0 CDAERP CC(C)[N@H+](C)CCNC(=[NH2+])NC[C@@H]1CCCS1 ZINC000905041423 626380788 /nfs/dbraw/zinc/38/07/88/626380788.db2.gz GLFISOOJNRHOOC-NSHDSACASA-N 2 0 258.435 1.336 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=[NH2+])NC[C@H]1CCCS1 ZINC000905042616 626381628 /nfs/dbraw/zinc/38/16/28/626381628.db2.gz PMGCCXFUXWZEHR-NWDGAFQWSA-N 2 0 272.462 1.726 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=[NH2+])NC[C@H]1CCCS1 ZINC000905045222 626383895 /nfs/dbraw/zinc/38/38/95/626383895.db2.gz XIOBFALHRFHDPR-CYBMUJFWSA-N 2 0 286.489 1.974 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCS1 ZINC000905047452 626385284 /nfs/dbraw/zinc/38/52/84/626385284.db2.gz KUFRCSGKKYWXEC-STQMWFEESA-N 2 0 284.473 1.870 10 0 CDAERP CC(C)(C)[NH2+]Cc1cn(CCCCCC[NH3+])nn1 ZINC000905056425 626606138 /nfs/dbraw/zinc/60/61/38/626606138.db2.gz AVFVUQIGTWSRCS-UHFFFAOYSA-N 2 0 253.394 1.685 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)c1nc([C@H]2CCC[NH2+]2)no1 ZINC000905304250 626756523 /nfs/dbraw/zinc/75/65/23/626756523.db2.gz JMPLBCUKXBXDCY-ZJUUUORDSA-N 2 0 252.362 1.755 10 0 CDAERP F[C@@H](c1nc(CC2CC[NH2+]CC2)no1)[C@H]1CC[NH2+]C1 ZINC000905309615 626758777 /nfs/dbraw/zinc/75/87/77/626758777.db2.gz ZNOBKLONMVAZFU-CMPLNLGQSA-N 2 0 268.336 1.232 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)C2(O)CCCC2)C[C@@H]1C ZINC000905934763 627049799 /nfs/dbraw/zinc/04/97/99/627049799.db2.gz RAILOEGSUTZTBQ-SOUVJXGZSA-N 2 0 284.444 1.457 10 0 CDAERP CC(C)(C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1)[NH+]1CCCCC1 ZINC000911582029 629339535 /nfs/dbraw/zinc/33/95/35/629339535.db2.gz YTZQQSOLIPTMGE-GASCZTMLSA-N 2 0 293.455 1.994 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000912049602 629755093 /nfs/dbraw/zinc/75/50/93/629755093.db2.gz NSCIFVSXFKUMLM-KFWWJZLASA-N 2 0 281.444 1.565 10 0 CDAERP C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)C12CC[NH+](CC1)C2 ZINC000912649560 630126452 /nfs/dbraw/zinc/12/64/52/630126452.db2.gz WLTIWMQNMMPZBK-LSDHHAIUSA-N 2 0 293.455 1.804 10 0 CDAERP O[C@@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)C1(O)CCC1 ZINC000929720403 630712650 /nfs/dbraw/zinc/71/26/50/630712650.db2.gz WSKPMEALTAJWBT-GJZGRUSLSA-N 2 0 282.428 1.070 10 0 CDAERP C[C@@H](C(=O)NC12CC[NH+](CC1)C2)[NH+]1[C@H](C)CC[C@H]1C ZINC000913629151 630719065 /nfs/dbraw/zinc/71/90/65/630719065.db2.gz ZAJADPMXJIYUCP-UPJWGTAASA-N 2 0 265.401 1.212 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H](O)c1c(F)cccc1F ZINC000925457633 632466709 /nfs/dbraw/zinc/46/67/09/632466709.db2.gz UUBFUJHIMSRDEJ-LMHUECFGSA-N 2 0 296.361 1.928 10 0 CDAERP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cnn(CCF)c1 ZINC000921720827 633241406 /nfs/dbraw/zinc/24/14/06/633241406.db2.gz MHPHJYAUKZQQPN-HNNXBMFYSA-N 2 0 298.406 1.179 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001417759101 1158703757 /nfs/dbraw/zinc/70/37/57/1158703757.db2.gz QMRJUEZUTPLHLK-JKSUJKDBSA-N 2 0 295.471 1.907 10 0 CDAERP CN(CC[NH2+]CCF)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001266741259 1158797229 /nfs/dbraw/zinc/79/72/29/1158797229.db2.gz ORFBLUZOHVDEHC-QWHCGFSZSA-N 2 0 271.380 1.021 10 0 CDAERP C[NH+](C)C1(C(=O)NCC2CC[NH+](C)CC2)CCCC1 ZINC001627559241 1166004518 /nfs/dbraw/zinc/00/45/18/1166004518.db2.gz VEOUCDPCRQDUSY-UHFFFAOYSA-N 2 0 267.417 1.319 10 0 CDAERP [NH3+][C@H]1CCCC[C@H]1C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC001645879008 1167549176 /nfs/dbraw/zinc/54/91/76/1167549176.db2.gz AIHIEZZXVWDARP-KGLIPLIRSA-N 2 0 279.428 1.496 10 0 CDAERP CCOCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+](C)C ZINC001565971787 1168207483 /nfs/dbraw/zinc/20/74/83/1168207483.db2.gz MOSIFTXAGNTXIM-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP C[NH+]1CCC(CC(=O)NCC23CCC[NH+](CCC2)C3)CC1 ZINC001646980178 1168320926 /nfs/dbraw/zinc/32/09/26/1168320926.db2.gz XZPATIXCGMAYJP-UHFFFAOYSA-N 2 0 293.455 1.711 10 0 CDAERP CCCCC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001566719362 1168399358 /nfs/dbraw/zinc/39/93/58/1168399358.db2.gz KDAFWEOGUNXPPE-HUUCEWRRSA-N 2 0 281.444 1.755 10 0 CDAERP [NH3+][C@H]1CCCC[C@H]1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC001647248509 1168489684 /nfs/dbraw/zinc/48/96/84/1168489684.db2.gz SBNXBGRDTYNONY-CABCVRRESA-N 2 0 288.395 1.248 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001567152855 1168599037 /nfs/dbraw/zinc/59/90/37/1168599037.db2.gz CIOCINJHXFGYDC-ZIAGYGMSSA-N 2 0 267.417 1.032 10 0 CDAERP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)C[NH2+]CCF ZINC001568171466 1169160776 /nfs/dbraw/zinc/16/07/76/1169160776.db2.gz AXJZOHZZALIGBL-CYBMUJFWSA-N 2 0 287.423 1.562 10 0 CDAERP COCCC[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001570181671 1170102685 /nfs/dbraw/zinc/10/26/85/1170102685.db2.gz NZUQKCDHJKFFQZ-OAHLLOKOSA-N 2 0 299.459 1.335 10 0 CDAERP CCC[NH2+]CC1CC(NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001570573425 1170193929 /nfs/dbraw/zinc/19/39/29/1170193929.db2.gz VQCUBOMPNWVMND-UHFFFAOYSA-N 2 0 283.460 1.859 10 0 CDAERP CC[NH2+]CC(C)(C)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001570690998 1170232938 /nfs/dbraw/zinc/23/29/38/1170232938.db2.gz KPYRWJFHHAYSJK-UHFFFAOYSA-N 2 0 257.422 1.421 10 0 CDAERP CC[N@H+](C)CCN(C(=O)C[C@H]1CC[NH+](C)C1)C(C)C ZINC001571615915 1170496532 /nfs/dbraw/zinc/49/65/32/1170496532.db2.gz JGHROTKZGYGSDO-CQSZACIVSA-N 2 0 269.433 1.517 10 0 CDAERP CC(C)=CC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C ZINC001571568191 1170479340 /nfs/dbraw/zinc/47/93/40/1170479340.db2.gz FBJKHUMAHHBXPX-OAHLLOKOSA-N 2 0 293.455 1.875 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CCC(C)C)C1 ZINC001661497919 1172398925 /nfs/dbraw/zinc/39/89/25/1172398925.db2.gz HUJKGYIVZITKRY-HDJSIYSDSA-N 2 0 269.433 1.611 10 0 CDAERP CCCCC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001664760181 1172903995 /nfs/dbraw/zinc/90/39/95/1172903995.db2.gz NBTTYFOWSMATST-JKSUJKDBSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC1C[NH+](CC2CCC2)C1 ZINC001665362767 1172987075 /nfs/dbraw/zinc/98/70/75/1172987075.db2.gz LAEJPCXZBKGCST-UHFFFAOYSA-N 2 0 267.417 1.175 10 0 CDAERP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]CC[C@H](C)F ZINC001666668134 1173169345 /nfs/dbraw/zinc/16/93/45/1173169345.db2.gz ZVIWXKMMOJMLJT-STQMWFEESA-N 2 0 273.396 1.172 10 0 CDAERP C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@@H]1C[NH2+]CCCF ZINC001667399735 1173262874 /nfs/dbraw/zinc/26/28/74/1173262874.db2.gz CIDQMKNTVVPSPI-LSDHHAIUSA-N 2 0 299.434 1.659 10 0 CDAERP CCCC[C@H](C[NH2+]CCF)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001675219359 1174085356 /nfs/dbraw/zinc/08/53/56/1174085356.db2.gz YFMONMXNGDZVSX-OLZOCXBDSA-N 2 0 273.396 1.315 10 0 CDAERP C[NH+](C)C1(C(=O)NCCC[N@H+](CC2CC2)C2CC2)CCC1 ZINC001689991354 1175340116 /nfs/dbraw/zinc/34/01/16/1175340116.db2.gz ABJXCOHVGUXJJN-UHFFFAOYSA-N 2 0 293.455 1.851 10 0 CDAERP CCCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001690405377 1175464033 /nfs/dbraw/zinc/46/40/33/1175464033.db2.gz IZRHABDVQGYLLK-BZUAXINKSA-N 2 0 295.471 1.955 10 0 CDAERP FC(F)(F)CCC[NH2+]C[C@H]1CN2CCC[C@@H]2CO1 ZINC000133774956 1175807686 /nfs/dbraw/zinc/80/76/86/1175807686.db2.gz JFQNVUPGIFTYTK-MNOVXSKESA-N 2 0 266.307 1.782 10 0 CDAERP CC[C@H]1CCCCC[N@@H+]1CC(=O)N1CC[NH2+]CC1 ZINC000135297368 1175824244 /nfs/dbraw/zinc/82/42/44/1175824244.db2.gz MLEVOJFDBKKGGU-ZDUSSCGKSA-N 2 0 253.390 1.073 10 0 CDAERP CN(CC[N@H+](C)CCCCCF)C(=O)C12CC[NH+](CC1)C2 ZINC001699001840 1176033148 /nfs/dbraw/zinc/03/31/48/1176033148.db2.gz CECKSXIKCXTEKZ-UHFFFAOYSA-N 2 0 299.434 1.612 10 0 CDAERP C[C@@H](CC[NH2+]CC1CC1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001699142936 1176110338 /nfs/dbraw/zinc/11/03/38/1176110338.db2.gz KDEYOGNSRRPDIX-AWEZNQCLSA-N 2 0 293.455 1.757 10 0 CDAERP C[C@@H](C[NH2+]CCC(C)(C)C)NC(=O)C1CC[NH+](C)CC1 ZINC001699418919 1176383405 /nfs/dbraw/zinc/38/34/05/1176383405.db2.gz NFQSRYHZJKZITC-ZDUSSCGKSA-N 2 0 283.460 1.859 10 0 CDAERP CC[C@@H](F)C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001699527558 1176463018 /nfs/dbraw/zinc/46/30/18/1176463018.db2.gz ZXCRYFMZLBCPFV-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP CCC[NH2+]C[C@@]1(C)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001699854982 1176657686 /nfs/dbraw/zinc/65/76/86/1176657686.db2.gz XYMUPWUDNGYWIA-GDBMZVCRSA-N 2 0 281.444 1.566 10 0 CDAERP COCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]1C ZINC001700822742 1177150403 /nfs/dbraw/zinc/15/04/03/1177150403.db2.gz KMHYCPIRCXTKFG-KGLIPLIRSA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001712972345 1178279122 /nfs/dbraw/zinc/27/91/22/1178279122.db2.gz UUHOKEISKIQESW-HUUCEWRRSA-N 2 0 283.460 1.812 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001712972343 1178279287 /nfs/dbraw/zinc/27/92/87/1178279287.db2.gz UUHOKEISKIQESW-CABCVRRESA-N 2 0 283.460 1.812 10 0 CDAERP CCCCC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001713104673 1178369300 /nfs/dbraw/zinc/36/93/00/1178369300.db2.gz KDAFWEOGUNXPPE-GJZGRUSLSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@H](C(=O)N(C)CC[NH2+]Cc1cc(C)ns1)[NH+](C)C ZINC001713606388 1178678505 /nfs/dbraw/zinc/67/85/05/1178678505.db2.gz YTBKKKASYDNRMY-CYBMUJFWSA-N 2 0 298.456 1.340 10 0 CDAERP CN(CC[NH2+]CC1CCCC1)C(=O)CC[NH+](C)C ZINC001713630300 1178688736 /nfs/dbraw/zinc/68/87/36/1178688736.db2.gz LIOSXGPFEKLKNV-UHFFFAOYSA-N 2 0 255.406 1.176 10 0 CDAERP CC/C=C\CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001714674444 1179317245 /nfs/dbraw/zinc/31/72/45/1179317245.db2.gz GHEGKILHDXVRSC-XVWMLYKFSA-N 2 0 293.455 1.875 10 0 CDAERP CN(CC[NH2+]CC1CC1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001714741473 1179368929 /nfs/dbraw/zinc/36/89/29/1179368929.db2.gz BYXISOFPOPFIAH-UHFFFAOYSA-N 2 0 267.417 1.319 10 0 CDAERP C[NH+](C)CCC(=O)NCC1C[NH+](CCC(C)(C)C)C1 ZINC001714972705 1179486085 /nfs/dbraw/zinc/48/60/85/1179486085.db2.gz RZNUFUYUVBSAKM-UHFFFAOYSA-N 2 0 269.433 1.422 10 0 CDAERP CC[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC=C(C)C ZINC001715083087 1179543896 /nfs/dbraw/zinc/54/38/96/1179543896.db2.gz INBOJHUZLYSQPZ-LSDHHAIUSA-N 2 0 281.444 1.779 10 0 CDAERP CCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001715664037 1179756732 /nfs/dbraw/zinc/75/67/32/1179756732.db2.gz VRUAJNYOHIEQBH-OLZOCXBDSA-N 2 0 255.406 1.365 10 0 CDAERP C[C@H](CC[NH2+]CCF)NC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001715688018 1179764442 /nfs/dbraw/zinc/76/44/42/1179764442.db2.gz JVOMRLHXVGCSAY-WDEREUQCSA-N 2 0 270.352 1.042 10 0 CDAERP CCN(CC[NH2+]CC(C)C)C(=O)C12CC[NH+](CC1)C2 ZINC001715766316 1179796035 /nfs/dbraw/zinc/79/60/35/1179796035.db2.gz FLQKXJQZFSYGEH-UHFFFAOYSA-N 2 0 267.417 1.176 10 0 CDAERP CC(C)OCCC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001715777471 1179802700 /nfs/dbraw/zinc/80/27/00/1179802700.db2.gz BCETZCQQLDPOLI-OAHLLOKOSA-N 2 0 299.459 1.286 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC/C=C/C[NH2+][C@@H](C)COC)CC[N@@H+]1C ZINC001715816843 1179843618 /nfs/dbraw/zinc/84/36/18/1179843618.db2.gz IZVVQRWIZPXIBC-MNZAGANASA-N 2 0 297.443 1.014 10 0 CDAERP O=C(CC[NH+]1CCCCC1)NC/C=C/C[NH2+]C/C=C\Cl ZINC001716380208 1180173915 /nfs/dbraw/zinc/17/39/15/1180173915.db2.gz YQHBNZVNBZQQLX-CYFJSKJZSA-N 2 0 299.846 1.877 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001717177847 1180562284 /nfs/dbraw/zinc/56/22/84/1180562284.db2.gz AZQPZKZTLCOGOK-HNNXBMFYSA-N 2 0 297.443 1.111 10 0 CDAERP CCC[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001717290041 1180605497 /nfs/dbraw/zinc/60/54/97/1180605497.db2.gz FPELUYBVWRCKFG-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@H](CCC[NH2+]CCC1CC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001717660779 1180781073 /nfs/dbraw/zinc/78/10/73/1180781073.db2.gz CBECTXOVLNBOFD-HIFRSBDPSA-N 2 0 281.444 1.755 10 0 CDAERP CCCC[NH2+][C@@H](C)CN(C)C(=O)CCc1cncn1C ZINC001717752056 1180829698 /nfs/dbraw/zinc/82/96/98/1180829698.db2.gz GGVRVZDJRWKTMO-ZDUSSCGKSA-N 2 0 280.416 1.589 10 0 CDAERP CC(C)COCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001717753947 1180830833 /nfs/dbraw/zinc/83/08/33/1180830833.db2.gz ITWPHHFTUOLJBE-HUUCEWRRSA-N 2 0 299.459 1.047 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+]C/C=C\Cl)C1CC1 ZINC001723354568 1181543636 /nfs/dbraw/zinc/54/36/36/1181543636.db2.gz GYFIIYXWKMFASE-LLPBQKLSSA-N 2 0 287.835 1.564 10 0 CDAERP CCOCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1CC ZINC001723379144 1181544996 /nfs/dbraw/zinc/54/49/96/1181544996.db2.gz ROTQHMLEZSUELF-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@](C)(C[NH2+]CCCF)C2)C1 ZINC001724258223 1181658506 /nfs/dbraw/zinc/65/85/06/1181658506.db2.gz FLYCDZRKNFDOLY-GOEBONIOSA-N 2 0 299.434 1.516 10 0 CDAERP CCCC[NH2+]C[C@@]1(C)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001724263478 1181659822 /nfs/dbraw/zinc/65/98/22/1181659822.db2.gz PYTOYVZTHIOVAO-MRXNPFEDSA-N 2 0 293.455 1.711 10 0 CDAERP CC[N@H+](C)CCC(=O)NC1CC(C[NH2+]CC(C)C)C1 ZINC001725072253 1181846162 /nfs/dbraw/zinc/84/61/62/1181846162.db2.gz ZIYSLGJYRWFNFV-UHFFFAOYSA-N 2 0 269.433 1.469 10 0 CDAERP O=C(NC1CC(C[NH2+]CCCF)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC001725075179 1181847650 /nfs/dbraw/zinc/84/76/50/1181847650.db2.gz SVAPFSNFFBDUKX-XUJLQICISA-N 2 0 297.418 1.316 10 0 CDAERP CC(C)CC[NH2+][C@H](C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001725112539 1181867154 /nfs/dbraw/zinc/86/71/54/1181867154.db2.gz WROKXJNFJJNYOM-OLZOCXBDSA-N 2 0 257.422 1.467 10 0 CDAERP COCCCC[N@H+](C)[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001725181564 1181909203 /nfs/dbraw/zinc/90/92/03/1181909203.db2.gz XXHUWSCCUWRZCL-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP CC/C=C\CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001725355927 1181970979 /nfs/dbraw/zinc/97/09/79/1181970979.db2.gz JKIMTWWLRWAQTL-LDUWWUQZSA-N 2 0 293.455 1.921 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001725359284 1181972579 /nfs/dbraw/zinc/97/25/79/1181972579.db2.gz PXFDULFUPJJEQS-KBUPBQIOSA-N 2 0 299.434 1.703 10 0 CDAERP CCC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001725420598 1181993454 /nfs/dbraw/zinc/99/34/54/1181993454.db2.gz XGSCHLHBQQIDQS-CHWSQXEVSA-N 2 0 255.406 1.223 10 0 CDAERP CC(C)[N@H+](C)CCCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001731271216 1182287116 /nfs/dbraw/zinc/28/71/16/1182287116.db2.gz KVJQSMAZOPZHMJ-HUUCEWRRSA-N 2 0 281.444 1.850 10 0 CDAERP CCC[NH+](CCC)CCNC(=O)C[NH+]1CCCC1 ZINC001731874080 1182643054 /nfs/dbraw/zinc/64/30/54/1182643054.db2.gz UXOSTBJNNVINRN-UHFFFAOYSA-N 2 0 255.406 1.320 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]C/C=C\Cl)C1 ZINC001731952565 1182698008 /nfs/dbraw/zinc/69/80/08/1182698008.db2.gz RFUDLPHIBIQXHY-KTLBGCOUSA-N 2 0 273.808 1.129 10 0 CDAERP COCCC[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001731962628 1182701737 /nfs/dbraw/zinc/70/17/37/1182701737.db2.gz YQLPGRZQRZQAJH-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)C[NH2+]CCN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001731983434 1182714617 /nfs/dbraw/zinc/71/46/17/1182714617.db2.gz JSKILVIETXAOHH-UHFFFAOYSA-N 2 0 283.460 1.957 10 0 CDAERP CC(C)CC[NH2+]CCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001731987097 1182715768 /nfs/dbraw/zinc/71/57/68/1182715768.db2.gz YAMLDAKWXVBWQW-GASCZTMLSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[N@H+](CCCF)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001732007961 1182724152 /nfs/dbraw/zinc/72/41/52/1182724152.db2.gz QQDGBZAHILTGME-AWEZNQCLSA-N 2 0 287.423 1.657 10 0 CDAERP CC[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)[NH2+]CCOC ZINC001732220873 1182867422 /nfs/dbraw/zinc/86/74/22/1182867422.db2.gz XSWMBBFONRJZCV-HNNXBMFYSA-N 2 0 299.459 1.238 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@H]1CC[C@H]([NH2+]CCCF)CC1 ZINC001732313717 1182903642 /nfs/dbraw/zinc/90/36/42/1182903642.db2.gz UKKHNOZSRDXTFO-HDJSIYSDSA-N 2 0 285.407 1.459 10 0 CDAERP CCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001732357160 1182925278 /nfs/dbraw/zinc/92/52/78/1182925278.db2.gz QWPKMFFXTJZPDW-LSDHHAIUSA-N 2 0 283.460 1.860 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2CC[NH2+]CCF)C1 ZINC001732514230 1182994034 /nfs/dbraw/zinc/99/40/34/1182994034.db2.gz JWSCZOPVTMFYIJ-LSDHHAIUSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)[NH2+][C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C(C)C ZINC001732573262 1183015195 /nfs/dbraw/zinc/01/51/95/1183015195.db2.gz YWIZXUGZYYPIRP-ZIAGYGMSSA-N 2 0 269.433 1.467 10 0 CDAERP CC(C)[NH2+][C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001732573259 1183015452 /nfs/dbraw/zinc/01/54/52/1183015452.db2.gz YWIZXUGZYYPIRP-KBPBESRZSA-N 2 0 269.433 1.467 10 0 CDAERP C[NH+](C)CCC(=O)NC/C=C/C[NH2+]CC1CC2(CCC2)C1 ZINC001732893142 1183174278 /nfs/dbraw/zinc/17/42/78/1183174278.db2.gz DCMSHEXDIHZVSS-ONEGZZNKSA-N 2 0 293.455 1.780 10 0 CDAERP CCC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001733180359 1183319839 /nfs/dbraw/zinc/31/98/39/1183319839.db2.gz HGPTYGBXXAKSLJ-AEGPPILISA-N 2 0 281.444 1.611 10 0 CDAERP C[N@H+](CC(=O)N1CC[C@@](C)(C[NH2+]CCF)C1)C1CCC1 ZINC001733426479 1183430064 /nfs/dbraw/zinc/43/00/64/1183430064.db2.gz GCGVMQDPDNPJPD-HNNXBMFYSA-N 2 0 285.407 1.268 10 0 CDAERP CCCC[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001733560139 1183467124 /nfs/dbraw/zinc/46/71/24/1183467124.db2.gz JGVMQMVZLDERQB-CABCVRRESA-N 2 0 293.455 1.566 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CCOC(C)C)[C@@H](C)C1 ZINC001733852788 1183549913 /nfs/dbraw/zinc/54/99/13/1183549913.db2.gz HZHHCJOQXJGRNA-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@H](CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CCCF ZINC001734341898 1183739338 /nfs/dbraw/zinc/73/93/38/1183739338.db2.gz AFRXXPJDSXTVOI-CHWSQXEVSA-N 2 0 273.396 1.124 10 0 CDAERP CCN(C(=O)N[C@@H](C)CC[NH+](CC)CC)[C@@H]1CC[N@H+](C)C1 ZINC001772444911 1187234463 /nfs/dbraw/zinc/23/44/63/1187234463.db2.gz BNEFPXGWTGIATA-LSDHHAIUSA-N 2 0 298.475 1.842 10 0 CDAERP C[C@H](O)[C@H](O)C[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000865738544 1164687380 /nfs/dbraw/zinc/68/73/80/1164687380.db2.gz NOEXKISHBUQCOC-YQFWSFKMSA-N 2 0 292.423 1.371 10 0 CDAERP C[C@H](CCc1cccnc1)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000866244396 1164756667 /nfs/dbraw/zinc/75/66/67/1164756667.db2.gz NJLFZEXXISLUKE-GDBMZVCRSA-N 2 0 277.412 1.449 10 0 CDAERP NC(=O)c1ccc(CC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000866665862 1164805136 /nfs/dbraw/zinc/80/51/36/1164805136.db2.gz JEMXNBGYZKRAOT-GJZGRUSLSA-N 2 0 273.380 1.012 10 0 CDAERP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@@H]1CCC3(CCC3)O1)C2 ZINC000712485176 782228642 /nfs/dbraw/zinc/22/86/42/782228642.db2.gz LCQWTUOCEDSXHQ-MELADBBJSA-N 2 0 250.386 1.629 10 0 CDAERP C[NH+](C)C1CCC([NH2+][C@H]2CCOC23CCOCC3)CC1 ZINC000926603121 782322182 /nfs/dbraw/zinc/32/21/82/782322182.db2.gz ANWFWCQNFYBLSQ-NRXISQOPSA-N 2 0 282.428 1.787 10 0 CDAERP C[C@H]1C[N@H+](Cc2nc(-c3ccco3)no2)CC[C@@H]1C[NH3+] ZINC000923502561 782329870 /nfs/dbraw/zinc/32/98/70/782329870.db2.gz ZZWOXJGOXHWEQK-WDEREUQCSA-N 2 0 276.340 1.746 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000925815841 782330844 /nfs/dbraw/zinc/33/08/44/782330844.db2.gz AONREFOITLYSCE-YESZJQIVSA-N 3 0 294.487 1.310 10 0 CDAERP Clc1cccc(SCCN2CC[NH2+]CC[NH2+]CC2)c1 ZINC000923459763 782392095 /nfs/dbraw/zinc/39/20/95/782392095.db2.gz FROCIPIOTAZBEV-UHFFFAOYSA-N 2 0 299.871 1.927 10 0 CDAERP C[C@H](C[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)N1CC[NH+](C)CC1 ZINC000872032782 782512798 /nfs/dbraw/zinc/51/27/98/782512798.db2.gz ACMXISMUJSWJGF-OWCLPIDISA-N 2 0 297.487 1.806 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)CCC23CC(C2)C[NH2+]3)C1 ZINC000870951664 1165239892 /nfs/dbraw/zinc/23/98/92/1165239892.db2.gz BTNIWAKSKKHPOT-UYJPIKCFSA-N 2 0 279.428 1.508 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C2CC[NH2+]CC2)C1 ZINC000870996483 1165251510 /nfs/dbraw/zinc/25/15/10/1165251510.db2.gz IINYLHKKJDMMAY-HNNXBMFYSA-N 2 0 267.417 1.210 10 0 CDAERP C[NH+](C)CC1CCC([NH2+]C[C@H](O)CC(C)(C)O)CC1 ZINC000872205242 1165395281 /nfs/dbraw/zinc/39/52/81/1165395281.db2.gz YJIDXZBKRVFAQV-JXQTWKCFSA-N 2 0 272.433 1.218 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925540429 782647809 /nfs/dbraw/zinc/64/78/09/782647809.db2.gz GJFDLSYOOIJBQW-MCIONIFRSA-N 3 0 269.433 1.203 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3[C@H]2CCC[NH+]3C)CC[N@@H+]1C ZINC000874822915 782823000 /nfs/dbraw/zinc/82/30/00/782823000.db2.gz DPNPQKDHTXJPBP-GBJTYRQASA-N 2 0 279.428 1.412 10 0 CDAERP Cn1ncc2cc(C[NH2+]CC3=CC[N@H+](C)CC3)cnc21 ZINC000865522268 782908698 /nfs/dbraw/zinc/90/86/98/782908698.db2.gz MUHTZYLHWDVUPK-UHFFFAOYSA-N 2 0 271.368 1.320 10 0 CDAERP C(C1CC1)[N@@H+]1CC[C@@H](N[C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925557319 782934690 /nfs/dbraw/zinc/93/46/90/782934690.db2.gz OFNHPSZPVATUPW-CABCVRRESA-N 2 0 263.429 1.735 10 0 CDAERP COc1cccc([C@@H](C)[NH2+]C[C@@H]2CC3(C[NH2+]C3)CO2)c1 ZINC000923388599 783009115 /nfs/dbraw/zinc/00/91/15/783009115.db2.gz PZEWHDMQHDJMJG-DOMZBBRYSA-N 2 0 276.380 1.724 10 0 CDAERP C1C[C@@H]2C[C@H]([NH2+][C@@H]3CCCN4CCSC[C@H]34)CC[N@@H+]2C1 ZINC000718436591 783043355 /nfs/dbraw/zinc/04/33/55/783043355.db2.gz NXRKVIIUFJKBGN-KLHDSHLOSA-N 2 0 295.496 1.783 10 0 CDAERP CN(CC[C@@H]1CCCC[N@@H+]1C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923324726 783076729 /nfs/dbraw/zinc/07/67/29/783076729.db2.gz JRCFYUJPVRJNPR-LSDHHAIUSA-N 3 0 281.444 1.171 10 0 CDAERP CCC(F)(F)C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923442351 783100755 /nfs/dbraw/zinc/10/07/55/783100755.db2.gz BPMKOJQBGHJRBA-NSHDSACASA-N 2 0 262.344 1.862 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cccnc1 ZINC000925849789 783106672 /nfs/dbraw/zinc/10/66/72/783106672.db2.gz FNHGDDDEADOJHD-JSGCOSHPSA-N 2 0 289.379 1.418 10 0 CDAERP CC1(C)C[C@@H]([NH2+]CCNC(=O)c2ccccc2)C[C@@H]([NH3+])C1 ZINC000925570443 783110534 /nfs/dbraw/zinc/11/05/34/783110534.db2.gz AKLJOPLWWVPYLC-CABCVRRESA-N 2 0 289.423 1.912 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000711259528 783183970 /nfs/dbraw/zinc/18/39/70/783183970.db2.gz MGDIYJBFZUIGEV-HIFRSBDPSA-N 2 0 267.417 1.367 10 0 CDAERP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925644285 780269826 /nfs/dbraw/zinc/26/98/26/780269826.db2.gz JJHRYQKMPWWJAE-BZUAXINKSA-N 2 0 274.408 1.758 10 0 CDAERP C[C@H]([NH2+]CCC[NH3+])[C@H]1CN(Cc2ccccc2)CCO1 ZINC000817938447 780295868 /nfs/dbraw/zinc/29/58/68/780295868.db2.gz KRLQETSJMYDXSQ-GOEBONIOSA-N 2 0 277.412 1.214 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cnn3ccccc23)C1 ZINC000848562969 780490659 /nfs/dbraw/zinc/49/06/59/780490659.db2.gz NWFWIPMREWUTGM-XBXGTLAGSA-N 2 0 258.369 1.764 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@H]1OC ZINC000252786311 780510740 /nfs/dbraw/zinc/51/07/40/780510740.db2.gz POQPPGOJKWTBFO-AHWBYSNRSA-N 2 0 282.428 1.784 10 0 CDAERP COCCCCC[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872147430 780517165 /nfs/dbraw/zinc/51/71/65/780517165.db2.gz AMLLCEXEHDZTFU-QWRGUYRKSA-N 2 0 268.323 1.872 10 0 CDAERP COc1ccc([C@H](C)[NH2+]CCC[NH3+])cc1Cn1cccn1 ZINC000817938939 780591332 /nfs/dbraw/zinc/59/13/32/780591332.db2.gz WASSCYMIABWWQL-ZDUSSCGKSA-N 2 0 288.395 1.939 10 0 CDAERP C[NH+](C)CCOC1CC[NH+](Cc2ccnc(F)c2)CC1 ZINC000859137508 780850881 /nfs/dbraw/zinc/85/08/81/780850881.db2.gz MVGXFIDEJZVVJC-UHFFFAOYSA-N 2 0 281.375 1.763 10 0 CDAERP COC[C@H](C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)C(C)C ZINC000721974697 780865086 /nfs/dbraw/zinc/86/50/86/780865086.db2.gz RBDHSDQVQFGACH-GJZGRUSLSA-N 2 0 254.418 1.981 10 0 CDAERP COC[C@@H](C)NC(=[NH2+])NCCC[N@H+](C)CC(C)C ZINC000849047098 780872057 /nfs/dbraw/zinc/87/20/57/780872057.db2.gz QERNEEZNQVZMMN-GFCCVEGCSA-N 2 0 258.410 1.113 10 0 CDAERP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccccc1F ZINC000925811091 780877486 /nfs/dbraw/zinc/87/74/86/780877486.db2.gz QRIBKBYSEHECMJ-LBPRGKRZSA-N 2 0 265.376 1.899 10 0 CDAERP C[NH+]1CCC(C[NH2+]C[C@H]2CC[C@H](C3CC3)O2)CC1 ZINC000715484132 780889969 /nfs/dbraw/zinc/88/99/69/780889969.db2.gz UKXDGPWOCIIVEA-HUUCEWRRSA-N 2 0 252.402 1.875 10 0 CDAERP CC1(C)CCC[C@@H](CN2CCC[C@@]([NH3+])(CO)C2)O1 ZINC000923474324 780896253 /nfs/dbraw/zinc/89/62/53/780896253.db2.gz RPADVXOMTHQUBC-JSGCOSHPSA-N 2 0 256.390 1.120 10 0 CDAERP C[C@H]1CC2(C[N@@H+]1C[C@H](O)C(F)(F)F)CC[NH2+]CC2 ZINC000923384060 780898739 /nfs/dbraw/zinc/89/87/39/780898739.db2.gz RLDXDAMFFBOIEI-UWVGGRQHSA-N 2 0 266.307 1.374 10 0 CDAERP CCn1cc(CC[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cn1 ZINC000923492166 781044520 /nfs/dbraw/zinc/04/45/20/781044520.db2.gz WSDJSJHLVGLGME-JSGCOSHPSA-N 2 0 250.390 1.362 10 0 CDAERP C[NH+]1CCC(C[NH2+]CCC2(CS(C)(=O)=O)CC2)CC1 ZINC000709618816 781117162 /nfs/dbraw/zinc/11/71/62/781117162.db2.gz WRYWPIZACFACTR-UHFFFAOYSA-N 2 0 288.457 1.133 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=[NH2+])NC1CCCC1 ZINC000848987592 781157826 /nfs/dbraw/zinc/15/78/26/781157826.db2.gz JKYOAXCRCMTTRA-LBPRGKRZSA-N 2 0 252.406 1.917 10 0 CDAERP C[N@H+](CCCCCC[NH3+])C[C@H]1CCCS(=O)(=O)C1 ZINC000872155550 781217694 /nfs/dbraw/zinc/21/76/94/781217694.db2.gz PUXYGMYTPNQWLY-CYBMUJFWSA-N 2 0 276.446 1.262 10 0 CDAERP CC1(C)CC[C@@H](C[NH2+]C[C@H](O)C[NH+]2CCCC2)OC1 ZINC000711312403 781302702 /nfs/dbraw/zinc/30/27/02/781302702.db2.gz VRWBIGQKDPOVKJ-KBPBESRZSA-N 2 0 270.417 1.238 10 0 CDAERP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C[C@@H]1CN2CCC[C@@H]2CO1 ZINC000924967720 781340987 /nfs/dbraw/zinc/34/09/87/781340987.db2.gz YKZDKHYLLOCBLU-KHMAMNHCSA-N 2 0 268.401 1.110 10 0 CDAERP c1cc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)sn1 ZINC000709983569 781448874 /nfs/dbraw/zinc/44/88/74/781448874.db2.gz JFRDJIJUHPLLJA-QJPTWQEYSA-N 2 0 251.399 1.663 10 0 CDAERP C[C@@H]1C[C@@H](C[NH+]2CCC(O)(C[NH+](C)C)CC2)CCO1 ZINC000931482607 781581173 /nfs/dbraw/zinc/58/11/73/781581173.db2.gz ZHXJLCJSBGJYAE-KGLIPLIRSA-N 2 0 270.417 1.190 10 0 CDAERP CC1(CNC(=O)CCC23CC(C2)C[NH2+]3)CC[NH2+]CC1 ZINC000870939312 781651058 /nfs/dbraw/zinc/65/10/58/781651058.db2.gz PWWPUNNWXBIZJD-UHFFFAOYSA-N 2 0 265.401 1.025 10 0 CDAERP [NH3+][C@@H]1C[C@H](NCC2([NH+]3CCCC3)CCOCC2)C12CCC2 ZINC000925499952 781697021 /nfs/dbraw/zinc/69/70/21/781697021.db2.gz VGXQVIPLQORDHL-CABCVRRESA-N 2 0 293.455 1.491 10 0 CDAERP CC[C@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)[C@H]1CCCOC1 ZINC000872021666 781697118 /nfs/dbraw/zinc/69/71/18/781697118.db2.gz FAUMGJRFTHOONH-ULQDDVLXSA-N 2 0 297.487 1.807 10 0 CDAERP CC[C@@H](N[C@@H]1C[NH2+]CC2(CCOCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000925797259 781801227 /nfs/dbraw/zinc/80/12/27/781801227.db2.gz MWUZDAJFLDLBSI-ZNMIVQPWSA-N 2 0 281.444 1.265 10 0 CDAERP C[C@H]1CN(CC[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)CCO1 ZINC000866708500 781813545 /nfs/dbraw/zinc/81/35/45/781813545.db2.gz QQXOSTDIEIXMHM-HOCLYGCPSA-N 2 0 283.460 1.404 10 0 CDAERP CO[C@H](C)c1noc(CN2CC[C@H](C[NH3+])[C@@H](C)C2)n1 ZINC000923500759 781845007 /nfs/dbraw/zinc/84/50/07/781845007.db2.gz XYYZZCLERJKJSY-HBNTYKKESA-N 2 0 268.361 1.194 10 0 CDAERP CC(C)(C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C(=O)N1CCCC1 ZINC000925720136 781872618 /nfs/dbraw/zinc/87/26/18/781872618.db2.gz WYFHQOYQWWIIFD-BTFPBAQTSA-N 2 0 291.439 1.221 10 0 CDAERP CC1(CC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)OCCO1 ZINC000925640384 781883218 /nfs/dbraw/zinc/88/32/18/781883218.db2.gz RUIPXDBNLXCMJD-HUUCEWRRSA-N 2 0 282.428 1.897 10 0 CDAERP [NH3+][C@H]1C[C@H]([NH2+]CCOc2ncccc2F)C12CCC2 ZINC000925615008 783241523 /nfs/dbraw/zinc/24/15/23/783241523.db2.gz DNZZQWNQWMPEJN-RYUDHWBXSA-N 2 0 265.332 1.459 10 0 CDAERP c1ccc([C@@H]2CC[N@@H+](C[C@H]3CC4(C[NH2+]C4)CO3)C2)cc1 ZINC000923302804 783302587 /nfs/dbraw/zinc/30/25/87/783302587.db2.gz DNRGIKBKBJICAH-HZPDHXFCSA-N 2 0 272.392 1.854 10 0 CDAERP C[C@@H]1CCC[N@H+](CCNC(=[NH2+])NCCC2CC2)C1 ZINC000864452355 783303423 /nfs/dbraw/zinc/30/34/23/783303423.db2.gz NNHLSMKJVFLILO-GFCCVEGCSA-N 2 0 252.406 1.632 10 0 CDAERP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925684931 783366870 /nfs/dbraw/zinc/36/68/70/783366870.db2.gz FAAWLDADKFHPGA-MGPQQGTHSA-N 3 0 251.418 1.578 10 0 CDAERP CC(C)COC[C@H](O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000923364450 783435890 /nfs/dbraw/zinc/43/58/90/783435890.db2.gz ADVFZPMXRSFWJZ-CABCVRRESA-N 2 0 270.417 1.095 10 0 CDAERP CCN1CCO[C@@H](C(=O)NC2CCC(C)([NH+](C)C)CC2)C1 ZINC000871359269 783505601 /nfs/dbraw/zinc/50/56/01/783505601.db2.gz ZHHYUJQKNSYJRA-NPCAHTBFSA-N 2 0 297.443 1.086 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000925259157 1166746814 /nfs/dbraw/zinc/74/68/14/1166746814.db2.gz BTNSVSMZKQCBOD-KNBMUFOWSA-N 2 0 252.402 1.467 10 0 CDAERP C[C@@H](O)CCC[NH2+][C@@H](C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001571391245 1167593340 /nfs/dbraw/zinc/59/33/40/1167593340.db2.gz XYGLMRAHAWMUIH-UONOGXRCSA-N 2 0 299.459 1.068 10 0 CDAERP CCCCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001571599966 1167601392 /nfs/dbraw/zinc/60/13/92/1167601392.db2.gz IZIJVWUURAGIHT-CABCVRRESA-N 2 0 299.459 1.022 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC001646285790 1167748657 /nfs/dbraw/zinc/74/86/57/1167748657.db2.gz PJSIPPLETFUQCZ-MELADBBJSA-N 2 0 282.432 1.205 10 0 CDAERP CC(C)[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001565832716 1168179099 /nfs/dbraw/zinc/17/90/99/1168179099.db2.gz FXFPJJRJAKOZIA-ZDUSSCGKSA-N 2 0 253.390 1.023 10 0 CDAERP C[C@H]1C[C@@H](C[N@H+](C)CCCNC(=O)CC[NH+](C)C)CCO1 ZINC001566488523 1168305140 /nfs/dbraw/zinc/30/51/40/1168305140.db2.gz BEJWLBPUQNYQFG-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP Cc1cnc([C@@H](C)N(C)CCCNC(=O)CC[NH+](C)C)o1 ZINC001566488723 1168306104 /nfs/dbraw/zinc/30/61/04/1168306104.db2.gz FWROXYREXFMGKT-CYBMUJFWSA-N 2 0 296.415 1.434 10 0 CDAERP CC[C@H](C(=O)NC[C@H]1CC[N@@H+]1CCC1CC1)[NH+](C)C ZINC001483694881 912872651 /nfs/dbraw/zinc/87/26/51/912872651.db2.gz OLKHWIOGFUOBSO-ZIAGYGMSSA-N 2 0 267.417 1.317 10 0 CDAERP CCC[N@H+](C)CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001567314314 1168675699 /nfs/dbraw/zinc/67/56/99/1168675699.db2.gz WHIVXSBZVALFMJ-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)OCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001266725698 895922936 /nfs/dbraw/zinc/92/29/36/895922936.db2.gz QCSFQSKAXYPOHB-ZNMIVQPWSA-N 2 0 299.459 1.234 10 0 CDAERP CCOC(=O)/C=C/C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000129567492 896244083 /nfs/dbraw/zinc/24/40/83/896244083.db2.gz WDOQOYTVMFUUTK-AATRIKPKSA-N 2 0 280.412 1.914 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]CCC(C)C ZINC001267117327 896837823 /nfs/dbraw/zinc/83/78/23/896837823.db2.gz QPKJBVXLFRETPS-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@H](F)C[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001567549925 1168847388 /nfs/dbraw/zinc/84/73/88/1168847388.db2.gz VVIHNIJXTXCHOU-IHRRRGAJSA-N 2 0 287.423 1.513 10 0 CDAERP C[N@H+](C[C@@H]1C[C@H]2COC[C@H]2O1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000724579406 896955726 /nfs/dbraw/zinc/95/57/26/896955726.db2.gz SRVVKTQOIBTUQM-ZRGDOOIKSA-N 2 0 266.385 1.005 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001267181941 897034584 /nfs/dbraw/zinc/03/45/84/897034584.db2.gz QSBDYYLUUBIZPQ-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)COCC[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001267202540 897136727 /nfs/dbraw/zinc/13/67/27/897136727.db2.gz BEELUPKDCJXRAB-HNNXBMFYSA-N 2 0 299.459 1.191 10 0 CDAERP OC1CC2(C[C@H]2[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000724912180 897521854 /nfs/dbraw/zinc/52/18/54/897521854.db2.gz IASLZLCLZMKHIH-HWOWSKLDSA-N 2 0 273.380 1.553 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001480934795 897704594 /nfs/dbraw/zinc/70/45/94/897704594.db2.gz GVRJPAGDFKPKDY-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+]CCC1CC1 ZINC001267474391 898098373 /nfs/dbraw/zinc/09/83/73/898098373.db2.gz RANYEWOIERLVHZ-UHFFFAOYSA-N 2 0 255.406 1.175 10 0 CDAERP C[C@H]1C[N@H+](CC(=O)Nc2ccccc2)CC[C@@H]1C[NH3+] ZINC000122310523 898973871 /nfs/dbraw/zinc/97/38/71/898973871.db2.gz RGOCYLNHGIWFJP-QWHCGFSZSA-N 2 0 261.369 1.542 10 0 CDAERP CCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C ZINC001267711191 899341764 /nfs/dbraw/zinc/34/17/64/899341764.db2.gz NSDZAQJZUVDLMY-SOUVJXGZSA-N 2 0 279.428 1.556 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)CC[NH2+]Cc1cncs1)[NH+](C)C ZINC001481243199 899597476 /nfs/dbraw/zinc/59/74/76/899597476.db2.gz JAABOLYEMPJZKI-ZDUSSCGKSA-N 2 0 298.456 1.277 10 0 CDAERP CC1(C)C[C@@H]([NH2+][C@H]2CCn3ccnc3C2)C[C@@H]([NH3+])C1 ZINC000925643368 899956498 /nfs/dbraw/zinc/95/64/98/899956498.db2.gz IKJIMVFLUGQSHC-AGIUHOORSA-N 2 0 262.401 1.694 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC(CC[NH2+]CCCF)CC1 ZINC001267914879 899963490 /nfs/dbraw/zinc/96/34/90/899963490.db2.gz PZIGISSVMMAEQJ-UHFFFAOYSA-N 2 0 287.423 1.516 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001267958475 900072417 /nfs/dbraw/zinc/07/24/17/900072417.db2.gz NBOCFWDSLZYBIU-OAHLLOKOSA-N 2 0 293.455 1.853 10 0 CDAERP C[C@@H](C(=O)N(C)CC[NH2+]CC1CC1)[NH+]1CCCCCC1 ZINC001481287729 900111858 /nfs/dbraw/zinc/11/18/58/900111858.db2.gz LTVFMJVOUXBRDQ-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000424028210 900817074 /nfs/dbraw/zinc/81/70/74/900817074.db2.gz NOMPEZPHTJPLJK-IIAWOOMASA-N 2 0 279.428 1.639 10 0 CDAERP CCCC[NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001268100488 901287284 /nfs/dbraw/zinc/28/72/84/901287284.db2.gz NNLWHPWQNOGJHZ-ZDUSSCGKSA-N 2 0 255.406 1.319 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1CN(C/C=C\Cl)C1 ZINC001481660146 901750239 /nfs/dbraw/zinc/75/02/39/901750239.db2.gz BFSXVWPQPIXTDR-FXWHHLEPSA-N 2 0 299.846 1.660 10 0 CDAERP CC[C@@H](F)CN1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001481692800 901809898 /nfs/dbraw/zinc/80/98/98/901809898.db2.gz UVWRPQJAPIQOHL-HZSPNIEDSA-N 2 0 287.423 1.511 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001481728647 901957908 /nfs/dbraw/zinc/95/79/08/901957908.db2.gz YTLOMHJKBSIJKY-ZIAGYGMSSA-N 2 0 267.417 1.413 10 0 CDAERP CC[C@H](F)C[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001268438502 902058584 /nfs/dbraw/zinc/05/85/84/902058584.db2.gz JCHJQKIERMJXFD-STQMWFEESA-N 2 0 273.396 1.267 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC=C(C)C ZINC001481875909 902252896 /nfs/dbraw/zinc/25/28/96/902252896.db2.gz RDHWVYZIIHNWSF-KGLIPLIRSA-N 2 0 267.417 1.389 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CC1CCCC1 ZINC001268579977 902660634 /nfs/dbraw/zinc/66/06/34/902660634.db2.gz UTEYFEJKWJUJAU-KJPDOMRESA-N 2 0 293.455 1.923 10 0 CDAERP CCC(CC)C[N@@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001269286549 903655158 /nfs/dbraw/zinc/65/51/58/903655158.db2.gz PFRMXXBJETTZBA-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261896135 903956114 /nfs/dbraw/zinc/95/61/14/903956114.db2.gz WASNFSKSMDUTEJ-ARJVPZMDSA-N 2 0 279.428 1.601 10 0 CDAERP COCCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H](C)C1 ZINC001269989524 904252374 /nfs/dbraw/zinc/25/23/74/904252374.db2.gz SWJKYPFIAMPLNO-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001270104714 904360814 /nfs/dbraw/zinc/36/08/14/904360814.db2.gz CXEYTIDOGGBDHJ-AWEZNQCLSA-N 2 0 281.444 1.851 10 0 CDAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]C/C=C\Cl ZINC001270596921 904773119 /nfs/dbraw/zinc/77/31/19/904773119.db2.gz WYSYTINQGPQHDX-QMAVJUDZSA-N 2 0 273.808 1.177 10 0 CDAERP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]CC1CC1 ZINC001482427730 905363160 /nfs/dbraw/zinc/36/31/60/905363160.db2.gz CHXOCVGKEBKLBY-JSGCOSHPSA-N 2 0 267.417 1.175 10 0 CDAERP CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001270940525 905472009 /nfs/dbraw/zinc/47/20/09/905472009.db2.gz KLZDXICWWAKFPP-DZGCQCFKSA-N 2 0 267.417 1.319 10 0 CDAERP CCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001271659669 906574974 /nfs/dbraw/zinc/57/49/74/906574974.db2.gz KRTMXPDXSXKNNX-QWHCGFSZSA-N 2 0 255.406 1.032 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001505446735 906983948 /nfs/dbraw/zinc/98/39/48/906983948.db2.gz RLQLKSDUGGSHQS-GJZGRUSLSA-N 2 0 281.444 1.661 10 0 CDAERP CCN(CC[NH2+]CC[C@H]1CCCO1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001482914104 908486680 /nfs/dbraw/zinc/48/66/80/908486680.db2.gz IXEOELOROPCVOZ-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP C[N@H+](CC(=O)NC/C=C/C[NH2+]CC1CC1)CC(C)(C)C ZINC001483060683 909199565 /nfs/dbraw/zinc/19/95/65/909199565.db2.gz OLFQPBCGFUWTHH-AATRIKPKSA-N 2 0 281.444 1.636 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCCNC1=[NH+]CCCCN1 ZINC000697725955 909213531 /nfs/dbraw/zinc/21/35/31/909213531.db2.gz XIIHBYUAHZNSTF-ZDUSSCGKSA-N 2 0 252.406 1.580 10 0 CDAERP CCC[NH2+]C/C=C\CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001483075984 909285527 /nfs/dbraw/zinc/28/55/27/909285527.db2.gz OYPQGFBOSYERHD-WAYWQWQTSA-N 2 0 281.444 1.779 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)[C@@H]([NH3+])C(C)C)C1 ZINC000713055856 909604107 /nfs/dbraw/zinc/60/41/07/909604107.db2.gz BROBRISYLUSUMI-OLZOCXBDSA-N 2 0 269.433 1.454 10 0 CDAERP C[NH+](C)C1(CNC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CCCCC1 ZINC000715094486 909802451 /nfs/dbraw/zinc/80/24/51/909802451.db2.gz MJNPPNGLADVEDW-QWRGUYRKSA-N 2 0 289.370 1.207 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001483185467 909930661 /nfs/dbraw/zinc/93/06/61/909930661.db2.gz LOJQPNCFJUUYCK-ZIAGYGMSSA-N 2 0 299.459 1.238 10 0 CDAERP CCS(=O)(=O)C[C@@H](C)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000715545806 910017785 /nfs/dbraw/zinc/01/77/85/910017785.db2.gz YLSIVAHJZNRASY-IYXRBSQSSA-N 2 0 290.473 1.662 10 0 CDAERP Cc1ccccc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001409415013 910384263 /nfs/dbraw/zinc/38/42/63/910384263.db2.gz QIIMOPBMQRVVTM-LSDHHAIUSA-N 2 0 291.439 1.930 10 0 CDAERP CC[NH+](CC)CC(=O)NCCCCc1cc[nH+]c(N)c1 ZINC001648328697 1169123242 /nfs/dbraw/zinc/12/32/42/1169123242.db2.gz KUMATSDUTVXKIX-UHFFFAOYSA-N 2 0 278.400 1.445 10 0 CDAERP CCC[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001483254326 910743036 /nfs/dbraw/zinc/74/30/36/910743036.db2.gz BSOSDVQAVVQNQI-LBPRGKRZSA-N 2 0 255.406 1.365 10 0 CDAERP CCOCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001483341161 910934127 /nfs/dbraw/zinc/93/41/27/910934127.db2.gz ZOMWSNARLFYLEX-QLFBSQMISA-N 2 0 299.459 1.190 10 0 CDAERP CCOCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001483341163 910937297 /nfs/dbraw/zinc/93/72/97/910937297.db2.gz ZOMWSNARLFYLEX-SOUVJXGZSA-N 2 0 299.459 1.190 10 0 CDAERP CCOCC[NH2+]C1(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001483794457 915072894 /nfs/dbraw/zinc/07/28/94/915072894.db2.gz UOABWIXABUYQCM-OKILXGFUSA-N 2 0 297.443 1.134 10 0 CDAERP CCCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001484065291 915386649 /nfs/dbraw/zinc/38/66/49/915386649.db2.gz LCCFEDINIOSMDE-BBRMVZONSA-N 2 0 292.427 1.969 10 0 CDAERP CCCCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCO1 ZINC001280567666 915591699 /nfs/dbraw/zinc/59/16/99/915591699.db2.gz RZAPLDZXLRKHNV-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC)CC1(C)C ZINC001178860407 915672605 /nfs/dbraw/zinc/67/26/05/915672605.db2.gz BAFKEGVXRPXAGT-GFCCVEGCSA-N 2 0 255.406 1.175 10 0 CDAERP CC/C=C/CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001272688334 916030473 /nfs/dbraw/zinc/03/04/73/916030473.db2.gz JHVZKGUQJVWNKQ-WHJWBVKISA-N 2 0 281.444 1.921 10 0 CDAERP CC[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001484760218 916127585 /nfs/dbraw/zinc/12/75/85/916127585.db2.gz UMKNBZFDHABZNF-HUUCEWRRSA-N 2 0 281.444 1.804 10 0 CDAERP CO[C@@H](C)C[NH2+]C1(C)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001484921456 916277757 /nfs/dbraw/zinc/27/77/57/916277757.db2.gz WHZLLECWVCVCLE-AWEZNQCLSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@H](O)CCC[N@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001485068901 916453747 /nfs/dbraw/zinc/45/37/47/916453747.db2.gz JHUVISHUMRSSPA-LSDHHAIUSA-N 2 0 299.459 1.022 10 0 CDAERP CC(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001485213110 916677448 /nfs/dbraw/zinc/67/74/48/916677448.db2.gz ASQFBZCPICLGBM-CHWSQXEVSA-N 2 0 267.417 1.221 10 0 CDAERP CCCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001485343398 916858802 /nfs/dbraw/zinc/85/88/02/916858802.db2.gz CZJRFQPRNVKCPD-ZNMIVQPWSA-N 2 0 283.460 1.953 10 0 CDAERP COC[C@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000832738025 936596357 /nfs/dbraw/zinc/59/63/57/936596357.db2.gz DGSRHQICKBAUOT-GJZGRUSLSA-N 2 0 270.417 1.192 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001568280649 1169221480 /nfs/dbraw/zinc/22/14/80/1169221480.db2.gz ANFMWRWBGNXWRN-GJZGRUSLSA-N 2 0 281.444 1.873 10 0 CDAERP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1ccccc1F ZINC001485919063 920576837 /nfs/dbraw/zinc/57/68/37/920576837.db2.gz JLKCKVLIKFDFFR-CYBMUJFWSA-N 2 0 295.402 1.714 10 0 CDAERP CCC[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@H]12 ZINC001486145490 920749825 /nfs/dbraw/zinc/74/98/25/920749825.db2.gz FREJORVXSLOIII-RDJZCZTQSA-N 2 0 293.455 1.994 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@@H]1CC[C@@H]2C[NH+](C)C[C@@H]12 ZINC001649361696 1169241055 /nfs/dbraw/zinc/24/10/55/1169241055.db2.gz WEISXMYJOODMLR-XLWJZTARSA-N 2 0 279.428 1.316 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)CC[C@@H]1CC1(Cl)Cl ZINC000706631649 923075219 /nfs/dbraw/zinc/07/52/19/923075219.db2.gz PIOWTJJICMUVHH-SNVBAGLBSA-N 2 0 269.216 1.738 10 0 CDAERP CC1(C)C[C@H](C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)C(C)(C)O1 ZINC000709702087 923207041 /nfs/dbraw/zinc/20/70/41/923207041.db2.gz JWTFCMSXCZPQLS-RWMBFGLXSA-N 2 0 252.402 1.731 10 0 CDAERP CCO[C@@H]1C[N@H+](C[C@H]2CC(C)(C)OC2(C)C)C[C@H]1C[NH3+] ZINC000709756565 923211154 /nfs/dbraw/zinc/21/11/54/923211154.db2.gz VWWLJKODDMPHSN-MGPQQGTHSA-N 2 0 284.444 1.876 10 0 CDAERP C[C@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H](CO)Cc1ccccc1)[NH2+]2 ZINC000709414793 923215554 /nfs/dbraw/zinc/21/55/54/923215554.db2.gz BMIAEHYPVGBJOJ-ZZTPXLKCSA-N 2 0 274.408 1.709 10 0 CDAERP CCN(CCC[NH+](CC)CC)C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711316205 923475186 /nfs/dbraw/zinc/47/51/86/923475186.db2.gz OJIFOAUDAQFTSD-AWEZNQCLSA-N 2 0 283.460 1.812 10 0 CDAERP CC(C)[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC(N)=O ZINC000923299744 923712651 /nfs/dbraw/zinc/71/26/51/923712651.db2.gz YUXUDWSOZPRQNN-YHWZYXNKSA-N 2 0 253.390 1.103 10 0 CDAERP C[C@@H]1C[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)C[C@@H](C)S1 ZINC000923308655 923736640 /nfs/dbraw/zinc/73/66/40/923736640.db2.gz HKBOZVJIOJMCJP-UTUOFQBUSA-N 2 0 256.415 1.191 10 0 CDAERP CC(C)CC[C@H](O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000923367687 923781136 /nfs/dbraw/zinc/78/11/36/923781136.db2.gz WLXUDLQJHLNVID-GJZGRUSLSA-N 2 0 254.418 1.859 10 0 CDAERP C[C@H]1CC2(C[N@@H+]1C[C@@H](O)C(F)(F)F)CC[NH2+]CC2 ZINC000923384061 923795185 /nfs/dbraw/zinc/79/51/85/923795185.db2.gz RLDXDAMFFBOIEI-VHSXEESVSA-N 2 0 266.307 1.374 10 0 CDAERP CC(C)n1ncnc1C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923450358 923841543 /nfs/dbraw/zinc/84/15/43/923841543.db2.gz FPKGHLQXMOPXEM-CYBMUJFWSA-N 2 0 293.415 1.189 10 0 CDAERP CC(C)(C)c1ccc(CN2CC[NH2+]CC[NH2+]CC2)cc1 ZINC000923464007 923851112 /nfs/dbraw/zinc/85/11/12/923851112.db2.gz KCHANZOHBSAKFH-UHFFFAOYSA-N 2 0 275.440 1.979 10 0 CDAERP C[C@H]1C[N@H+](Cc2cc(=O)n3ccccc3n2)CC[C@@H]1C[NH3+] ZINC000923502603 923883401 /nfs/dbraw/zinc/88/34/01/923883401.db2.gz CKQQJLMMDJUFCN-QWHCGFSZSA-N 2 0 286.379 1.111 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)CC[C@H]1C[NH3+] ZINC000923509975 923889993 /nfs/dbraw/zinc/88/99/93/923889993.db2.gz RNMXJXXRTMEWBF-XFIYOXNOSA-N 2 0 295.471 1.844 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001491457265 936919764 /nfs/dbraw/zinc/91/97/64/936919764.db2.gz PGRNPVXPOBUICA-ZFWWWQNUSA-N 2 0 279.428 1.389 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCn2ccnc2C1 ZINC001491507004 936926796 /nfs/dbraw/zinc/92/67/96/936926796.db2.gz GHKOMLRUNDZSNB-UONOGXRCSA-N 2 0 290.411 1.506 10 0 CDAERP CC(C)C[NH2+][C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001410252392 925454438 /nfs/dbraw/zinc/45/44/38/925454438.db2.gz GAGSGVPBLBQHNK-CABCVRRESA-N 2 0 283.460 1.857 10 0 CDAERP CN(CC[NH2+]CCCC1CCC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001317572880 926299679 /nfs/dbraw/zinc/29/96/79/926299679.db2.gz JASPMZYVFVZQHY-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001488880225 926747980 /nfs/dbraw/zinc/74/79/80/926747980.db2.gz PNXYYLQEYOUMIN-JOCQHMNTSA-N 2 0 255.406 1.219 10 0 CDAERP CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001489071188 926785295 /nfs/dbraw/zinc/78/52/95/926785295.db2.gz FWOHPRIQNXHNOL-OWCLPIDISA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@]1(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)CC[NH2+]C1 ZINC000843060991 937109321 /nfs/dbraw/zinc/10/93/21/937109321.db2.gz VYFVFBBKFQZJTJ-HZPDHXFCSA-N 2 0 282.428 1.646 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CCC1CC1 ZINC001489286623 926853090 /nfs/dbraw/zinc/85/30/90/926853090.db2.gz JLBVJTNCJFFVBR-OCCSQVGLSA-N 2 0 267.417 1.317 10 0 CDAERP [NH3+][C@H]1C[C@@H](c2nc(-c3ccn4c[nH+]cc4c3)no2)C1 ZINC000843227258 937123690 /nfs/dbraw/zinc/12/36/90/937123690.db2.gz VJTUPKFCYMWSSF-AOOOYVTPSA-N 2 0 255.281 1.589 10 0 CDAERP CCC[N@H+](C)CCCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001490257483 927061595 /nfs/dbraw/zinc/06/15/95/927061595.db2.gz FNBAISVRVXNUPQ-HUUCEWRRSA-N 2 0 281.444 1.851 10 0 CDAERP CCCN(C(=O)Cn1ccnc1)C1CC[NH+](CCC)CC1 ZINC001490623310 927260026 /nfs/dbraw/zinc/26/00/26/927260026.db2.gz LDCGMKMXQKHHRG-UHFFFAOYSA-N 2 0 292.427 1.996 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCF)C1CC1 ZINC001490670798 927276812 /nfs/dbraw/zinc/27/68/12/927276812.db2.gz GQCIGOPRJZOGSR-KGLIPLIRSA-N 2 0 285.407 1.315 10 0 CDAERP COc1cncc(C[NH2+][C@H]2CCc3nc[nH]c3C2)c1 ZINC000850304602 927412080 /nfs/dbraw/zinc/41/20/80/927412080.db2.gz NEKPEOYDUKSIBZ-NSHDSACASA-N 2 0 258.325 1.460 10 0 CDAERP CCOC(=O)C12CC(C1)C[N@@H+]2CCCCCCC[NH3+] ZINC000852761285 927864527 /nfs/dbraw/zinc/86/45/27/927864527.db2.gz UCVHTOGJYQPKLI-UHFFFAOYSA-N 2 0 268.401 1.923 10 0 CDAERP [NH3+][C@H]1C[C@@H](C[NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000693563074 937247879 /nfs/dbraw/zinc/24/78/79/937247879.db2.gz RTHXXCLRHYGVMF-BETUJISGSA-N 2 0 263.360 1.685 10 0 CDAERP C[C@H]([NH2+]C1CCN(CCN2CCOCC2)CC1)C1(C)CC1 ZINC000776883645 928581530 /nfs/dbraw/zinc/58/15/30/928581530.db2.gz OUFMYQAWAJGEBG-HNNXBMFYSA-N 2 0 295.471 1.561 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCN2CCOC2=O)CC1(C)C ZINC000858123131 928808417 /nfs/dbraw/zinc/80/84/17/928808417.db2.gz XVGSIHXWYRBAIG-LBPRGKRZSA-N 2 0 269.389 1.291 10 0 CDAERP CC(C)=CC[N@@H+](C)CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001568485785 1169320699 /nfs/dbraw/zinc/32/06/99/1169320699.db2.gz KDASUWGMBWQSGB-HNNXBMFYSA-N 2 0 283.460 1.929 10 0 CDAERP C[C@H]([NH2+]CCOCCC[NH3+])c1cccnc1Cl ZINC000863546295 929568194 /nfs/dbraw/zinc/56/81/94/929568194.db2.gz LCYUTGNOKFMKSW-JTQLQIEISA-N 2 0 257.765 1.751 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H](C)C[C@H](O)c1cccs1 ZINC000817914515 930629573 /nfs/dbraw/zinc/62/95/73/930629573.db2.gz ZEDDOHKLTHGRJG-AGIUHOORSA-N 2 0 286.441 1.904 10 0 CDAERP C[C@H]([NH2+]CCC[NH3+])[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000817938448 930635922 /nfs/dbraw/zinc/63/59/22/930635922.db2.gz KRLQETSJMYDXSQ-HOCLYGCPSA-N 2 0 277.412 1.214 10 0 CDAERP C[C@H](C[NH2+]C[C@@H](O)c1ccc(F)cn1)C[NH+]1CCCCC1 ZINC000818969087 930747378 /nfs/dbraw/zinc/74/73/78/930747378.db2.gz KURVYRDSCIOIFD-CZUORRHYSA-N 2 0 295.402 1.966 10 0 CDAERP COCCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001274446559 931500576 /nfs/dbraw/zinc/50/05/76/931500576.db2.gz QBKPNAYIYDHOGI-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC001143740986 931531889 /nfs/dbraw/zinc/53/18/89/931531889.db2.gz HFLVGYXGGILEIL-QWHCGFSZSA-N 2 0 255.406 1.127 10 0 CDAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]C/C=C/Cl ZINC001275149949 931680906 /nfs/dbraw/zinc/68/09/06/931680906.db2.gz SLMYCJKMMTVSKC-JHSWMASBSA-N 2 0 287.835 1.706 10 0 CDAERP CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1CC ZINC001275730651 931983516 /nfs/dbraw/zinc/98/35/16/931983516.db2.gz VTWMUGIPMGDDTC-STQMWFEESA-N 2 0 255.406 1.317 10 0 CDAERP CC[C@@H](F)C[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001447771065 932093534 /nfs/dbraw/zinc/09/35/34/932093534.db2.gz RBAABTBHKFWBBM-CABCVRRESA-N 2 0 299.434 1.753 10 0 CDAERP CCOCC[N@H+](C)[C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001275944474 932157886 /nfs/dbraw/zinc/15/78/86/932157886.db2.gz GPQVTIOQRSDCAX-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP C[NH2+]CCCCC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000719719297 932231352 /nfs/dbraw/zinc/23/13/52/932231352.db2.gz JDGMXBSKHMCPKB-ZDUSSCGKSA-N 2 0 253.390 1.073 10 0 CDAERP C[NH+](C)C1(C(=O)N2CCC(C)([NH+]3CCC3)CC2)CCCC1 ZINC001412504882 932458763 /nfs/dbraw/zinc/45/87/63/932458763.db2.gz SFXNDQONSSYGER-UHFFFAOYSA-N 2 0 293.455 1.948 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(CN(C)C)o1 ZINC001412510088 932461086 /nfs/dbraw/zinc/46/10/86/932461086.db2.gz WZNQEZBBPSEOCS-GFCCVEGCSA-N 2 0 281.400 1.801 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC001118266358 937610678 /nfs/dbraw/zinc/61/06/78/937610678.db2.gz QFFKCZHKKUZCID-UMVBOHGHSA-N 2 0 265.401 1.106 10 0 CDAERP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)CC1 ZINC000924668598 932810681 /nfs/dbraw/zinc/81/06/81/932810681.db2.gz DVALQAKETSVQCJ-MWDXBVQZSA-N 2 0 277.456 1.957 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000924962309 932835829 /nfs/dbraw/zinc/83/58/29/932835829.db2.gz DPOIQTHNHUKYGD-FKEKPDDDSA-N 2 0 297.406 1.697 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCOC23CCOCC3)C1 ZINC000925219587 932861313 /nfs/dbraw/zinc/86/13/13/932861313.db2.gz DSSUSDQKZAGNNG-ZNMIVQPWSA-N 2 0 282.428 1.787 10 0 CDAERP CC1(C)[C@H]([NH2+]CCN2CCOCC2(C)C)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925476173 932890660 /nfs/dbraw/zinc/89/06/60/932890660.db2.gz GKPFYZYGNRSTHC-QLFBSQMISA-N 2 0 295.471 1.463 10 0 CDAERP Cc1cc(C)n(CCC[NH2+][C@H]2CC[NH2+]C23CCC3)n1 ZINC000925510278 932895749 /nfs/dbraw/zinc/89/57/49/932895749.db2.gz TYECHLDBSQJCTA-AWEZNQCLSA-N 2 0 262.401 1.764 10 0 CDAERP COCCN1CC[C@H]([NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925554750 932904367 /nfs/dbraw/zinc/90/43/67/932904367.db2.gz AHHGFKUARISHMJ-MELADBBJSA-N 2 0 269.433 1.203 10 0 CDAERP COCCC[NH+]1CCC(N[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925575984 932908135 /nfs/dbraw/zinc/90/81/35/932908135.db2.gz ICIWUPPIBYZGGN-GDBMZVCRSA-N 2 0 297.487 1.983 10 0 CDAERP CC1(C)[C@@H]([NH2+]C2CCC(CO)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925611211 932914512 /nfs/dbraw/zinc/91/45/12/932914512.db2.gz KPHCKZHNGOKIBE-IFOPZJACSA-N 2 0 266.429 1.904 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCCCCS(C)(=O)=O)C1 ZINC000925643889 932919922 /nfs/dbraw/zinc/91/99/22/932919922.db2.gz LTZPLZZIFAORES-STQMWFEESA-N 2 0 290.473 1.697 10 0 CDAERP CC1(C)[C@H]([NH2+]CCOC(F)(F)F)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925650196 932921206 /nfs/dbraw/zinc/92/12/06/932921206.db2.gz SBEAYGLPBDWOKA-KXUCPTDWSA-N 2 0 266.307 1.889 10 0 CDAERP CC1(C)[C@H]([NH2+][C@H]2CCC[C@H]2CCO)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925647441 932921346 /nfs/dbraw/zinc/92/13/46/932921346.db2.gz ZCJGILBYQKBDFE-AIEDFZFUSA-N 2 0 266.429 1.904 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H]2CC23CC[NH2+]CC3)C1 ZINC000925711815 932930200 /nfs/dbraw/zinc/93/02/00/932930200.db2.gz SGFHJZXCYVXWHZ-UPJWGTAASA-N 3 0 251.418 1.624 10 0 CDAERP CCC[N@@H+]1CC[C@@H](N[C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000925711436 932930334 /nfs/dbraw/zinc/93/03/34/932930334.db2.gz ZAIWCDHCXLNYRF-KBXIAJHMSA-N 2 0 265.445 1.837 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1cc(C2CC2)no1 ZINC000925774660 932938039 /nfs/dbraw/zinc/93/80/39/932938039.db2.gz XETYLCLTLCXCGX-NSHDSACASA-N 2 0 253.346 1.396 10 0 CDAERP C[C@@H]1[NH2+]CCC[C@H]1N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000925827137 932943053 /nfs/dbraw/zinc/94/30/53/932943053.db2.gz MFIABDJQTPRWKC-NUEKZKHPSA-N 2 0 276.428 1.805 10 0 CDAERP CCn1nc(C)c([C@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)n1 ZINC000926573834 933000876 /nfs/dbraw/zinc/00/08/76/933000876.db2.gz QDNOILIDSJRXQQ-GXTWGEPZSA-N 2 0 279.432 1.989 10 0 CDAERP CCO[C@H](CN[C@@H]1CC[N@H+](CC)C[C@@H]1C)C[NH+](C)C ZINC000926966866 933035985 /nfs/dbraw/zinc/03/59/85/933035985.db2.gz YLXKIVDIIGGKDH-RRFJBIMHSA-N 2 0 271.449 1.273 10 0 CDAERP C[N@@H+]1CC[C@H]1CNC(=O)CC[NH+]1CCc2ccccc2C1 ZINC000928560166 933159485 /nfs/dbraw/zinc/15/94/85/933159485.db2.gz PBTWJXJTTNIRJC-INIZCTEOSA-N 2 0 287.407 1.255 10 0 CDAERP CCC[NH+]1CCC([N@H+](C)C[C@@H]2C[C@H]3COC[C@@H]3O2)CC1 ZINC000929776986 933267592 /nfs/dbraw/zinc/26/75/92/933267592.db2.gz DZMCASOLTUNAMW-BPUTZDHNSA-N 2 0 282.428 1.597 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2C[C@@H]3COC[C@H]3O2)C[C@H]1C ZINC000929783018 933269779 /nfs/dbraw/zinc/26/97/79/933269779.db2.gz YDQLYGFDLIHWLS-RBGFHDKUSA-N 2 0 282.428 1.595 10 0 CDAERP Cc1ccc(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2C)c(N(C)C)n1 ZINC000930503449 933390086 /nfs/dbraw/zinc/39/00/86/933390086.db2.gz BNVORHRKMHIWFJ-RYUDHWBXSA-N 2 0 291.399 1.670 10 0 CDAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H]2C[C@@H]2C1)[NH+]1CC[C@@H]2C[C@@H]2C1 ZINC000931059500 933498912 /nfs/dbraw/zinc/49/89/12/933498912.db2.gz QZRGYBKRPJWQLL-OXGONZEZSA-N 2 0 291.439 1.175 10 0 CDAERP FC(F)(F)[C@@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000687574270 934313857 /nfs/dbraw/zinc/31/38/57/934313857.db2.gz IEUFQILFWGFNCQ-QWRGUYRKSA-N 2 0 266.307 1.639 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH+]3CCC2CC3)CC[N@@H+]1C ZINC001412762058 934328704 /nfs/dbraw/zinc/32/87/04/934328704.db2.gz UKVBLJUETQRGLM-QLFBSQMISA-N 2 0 279.428 1.175 10 0 CDAERP C[C@@H]1C[C@H](C)[N@H+](CCc2ccns2)C[C@@H]1C[NH3+] ZINC000719878925 934860385 /nfs/dbraw/zinc/86/03/85/934860385.db2.gz MGGPDWIQMWTYAG-WOPDTQHZSA-N 2 0 253.415 1.991 10 0 CDAERP Cc1cc(N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)cc[nH+]1 ZINC000720396754 935020052 /nfs/dbraw/zinc/02/00/52/935020052.db2.gz HXTWFGLWGGPEQN-KBPBESRZSA-N 2 0 263.410 1.804 10 0 CDAERP CCN(C(=O)c1ccc(CN(C)C)o1)[C@H]1CC[N@H+](C)C1 ZINC001413253937 935968166 /nfs/dbraw/zinc/96/81/66/935968166.db2.gz GPRLAFVONDFUCO-LBPRGKRZSA-N 2 0 279.384 1.507 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC001413329824 935990611 /nfs/dbraw/zinc/99/06/11/935990611.db2.gz WZJZXPGBYQSQTR-KFWWJZLASA-N 2 0 293.455 1.850 10 0 CDAERP CCO[C@H](CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C[NH+](C)C ZINC001413526005 936128508 /nfs/dbraw/zinc/12/85/08/936128508.db2.gz SELRYXQGYKLEDV-RBSFLKMASA-N 2 0 299.459 1.190 10 0 CDAERP CCC[NH2+]CC[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001568640405 1169410648 /nfs/dbraw/zinc/41/06/48/1169410648.db2.gz LLOJZBVJWDZXEM-GFCCVEGCSA-N 2 0 255.406 1.365 10 0 CDAERP COCC[N@H+](CC1CC[NH+](C)CC1)C[C@@H]1CCCC[C@@H]1O ZINC001473703158 970835996 /nfs/dbraw/zinc/83/59/96/970835996.db2.gz YFEJQRNWQDWXKO-IRXDYDNUSA-N 2 0 298.471 1.828 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1CCC1CC1 ZINC001276981017 941771154 /nfs/dbraw/zinc/77/11/54/941771154.db2.gz YKIAFBUXVDMBJY-CQSZACIVSA-N 2 0 267.417 1.317 10 0 CDAERP CC(C)[C@H](O)C[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001473792636 970849768 /nfs/dbraw/zinc/84/97/68/970849768.db2.gz JNKXMZCEIRQYNL-OAHLLOKOSA-N 2 0 270.417 1.236 10 0 CDAERP CCC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001277217833 942186607 /nfs/dbraw/zinc/18/66/07/942186607.db2.gz NCIUVWCPTJXVIO-UONOGXRCSA-N 2 0 269.433 1.755 10 0 CDAERP CCN(CC[NH2+]CC1CC(C)C1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001568798039 1169479586 /nfs/dbraw/zinc/47/95/86/1169479586.db2.gz USYHTALDOIOJBS-NRXISQOPSA-N 2 0 281.444 1.422 10 0 CDAERP O=C(CC[NH+]1CCCCC1)NC[C@H]1C[C@@H]([NH2+]CCCF)C1 ZINC001316622546 942755855 /nfs/dbraw/zinc/75/58/55/942755855.db2.gz BMMUGGJMXPZMNZ-GASCZTMLSA-N 2 0 299.434 1.706 10 0 CDAERP CCC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001283051242 942812246 /nfs/dbraw/zinc/81/22/46/942812246.db2.gz DHCLUIXCLDJGHV-JOCQHMNTSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001283051534 942812703 /nfs/dbraw/zinc/81/27/03/942812703.db2.gz OXZJNVGKZLGBJC-MGPQQGTHSA-N 2 0 299.434 1.703 10 0 CDAERP CCCCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001283712645 942976048 /nfs/dbraw/zinc/97/60/48/942976048.db2.gz CJYJNIZGJITKEA-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001284095731 943077553 /nfs/dbraw/zinc/07/75/53/943077553.db2.gz JCJBRCRHOKFGFS-MELADBBJSA-N 2 0 267.417 1.175 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001284209925 943113920 /nfs/dbraw/zinc/11/39/20/943113920.db2.gz KQKUYNBYSMOOJQ-CHWSQXEVSA-N 2 0 255.406 1.221 10 0 CDAERP CC[C@H](C(=O)N(C)C[C@H](O)C[N@H+](C)CC=C(C)C)[NH+](C)C ZINC001284501209 943188395 /nfs/dbraw/zinc/18/83/95/943188395.db2.gz AYCOCXMJCGKQQE-HUUCEWRRSA-N 2 0 299.459 1.044 10 0 CDAERP CC(C)C[NH2+]CCOCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001284869732 943269948 /nfs/dbraw/zinc/26/99/48/943269948.db2.gz BZUBATDXPGQYMJ-OAHLLOKOSA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@@H](C(=O)N1CCC(C)(C)[NH2+]C(C)(C)C1)[NH+](C)C ZINC001263993269 944055642 /nfs/dbraw/zinc/05/56/42/944055642.db2.gz ZIHIRLXXEBYVLO-LBPRGKRZSA-N 2 0 269.433 1.706 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]CC[C@H]1CCCO1 ZINC001277932513 944101194 /nfs/dbraw/zinc/10/11/94/944101194.db2.gz HJBIIMCDNZUCRA-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001264430579 944135650 /nfs/dbraw/zinc/13/56/50/944135650.db2.gz GMCYDDWAIGNDGV-IHRRRGAJSA-N 2 0 269.433 1.469 10 0 CDAERP CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001264553456 944149341 /nfs/dbraw/zinc/14/93/41/944149341.db2.gz NGFYYVGCBWWYMI-QLFBSQMISA-N 2 0 283.460 1.953 10 0 CDAERP CO[C@H](C)C[N@H+](C)CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001265007103 944200867 /nfs/dbraw/zinc/20/08/67/944200867.db2.gz DCZVQGZUMUNCAB-CQSZACIVSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CCF)C1 ZINC001265977148 944612403 /nfs/dbraw/zinc/61/24/03/944612403.db2.gz UXJDLPNIFNTPNM-UONOGXRCSA-N 2 0 285.407 1.267 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+]2CC[C@@H](F)C2)C1 ZINC001362307954 971140590 /nfs/dbraw/zinc/14/05/90/971140590.db2.gz ZZHAEUWEGTWMGX-LSDHHAIUSA-N 2 0 299.434 1.611 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001479340336 971303473 /nfs/dbraw/zinc/30/34/73/971303473.db2.gz GLAUHBAMXPVVBO-MQYQWHSLSA-N 2 0 285.407 1.171 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCC(C)(C)C)C2)C1 ZINC001479341886 971303505 /nfs/dbraw/zinc/30/35/05/971303505.db2.gz YMPVPUFRKFBFGA-SOUVJXGZSA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001278399258 947560063 /nfs/dbraw/zinc/56/00/63/947560063.db2.gz WBTPKASLAUJCII-GOEBONIOSA-N 2 0 293.455 1.873 10 0 CDAERP COCC[N@@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCCC2)C1 ZINC001362592218 971435859 /nfs/dbraw/zinc/43/58/59/971435859.db2.gz WNYVRSPJOZPOKS-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP Cc1nc[nH]c1CC(=O)N[C@@H](C[NH2+]CCF)C(C)(C)C ZINC001279027404 948615111 /nfs/dbraw/zinc/61/51/11/948615111.db2.gz BEXNEVRFQSINKZ-LBPRGKRZSA-N 2 0 284.379 1.351 10 0 CDAERP CC/C=C\CC[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001480157445 971607410 /nfs/dbraw/zinc/60/74/10/971607410.db2.gz VNNHEPPCQJKFEX-YEPZWPJTSA-N 2 0 293.455 1.921 10 0 CDAERP CCOCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001480262962 971652412 /nfs/dbraw/zinc/65/24/12/971652412.db2.gz KHTKOWXBTZKFLN-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CCF)C1 ZINC001480287389 971658670 /nfs/dbraw/zinc/65/86/70/971658670.db2.gz YMVCXKGDFCGGSF-GJZGRUSLSA-N 2 0 299.434 1.659 10 0 CDAERP C[C@@H](C[NH2+]CCc1ccccc1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001569096848 1169642943 /nfs/dbraw/zinc/64/29/43/1169642943.db2.gz AHMKJCYROVWYHB-GOEBONIOSA-N 2 0 289.423 1.275 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC001362918331 971729339 /nfs/dbraw/zinc/72/93/39/971729339.db2.gz VRCUTEPVRGTZNB-MGPQQGTHSA-N 2 0 299.484 1.270 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1F ZINC001480590635 971797416 /nfs/dbraw/zinc/79/74/16/971797416.db2.gz QQOCSEFFGCXURE-OCCSQVGLSA-N 2 0 293.386 1.372 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001480649446 971824303 /nfs/dbraw/zinc/82/43/03/971824303.db2.gz WBTWSOVKCFSPHM-HNNXBMFYSA-N 2 0 293.455 1.875 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]C/C=C/Cl)C1 ZINC001480654451 971826743 /nfs/dbraw/zinc/82/67/43/971826743.db2.gz VVNQHVLDSVJUDT-HMJDLUCASA-N 2 0 299.846 1.661 10 0 CDAERP O=C(N[C@H]1CCC[C@@H]([NH2+]CCCF)C1)C12CC[NH+](CC1)C2 ZINC001480708167 971844954 /nfs/dbraw/zinc/84/49/54/971844954.db2.gz OKCUWKAWKIWALY-KGLIPLIRSA-N 2 0 297.418 1.459 10 0 CDAERP CC(C)=CC[N@@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001480734370 971854072 /nfs/dbraw/zinc/85/40/72/971854072.db2.gz DUZUCYGIOAICNC-HNNXBMFYSA-N 2 0 281.444 1.827 10 0 CDAERP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)CC[NH+]1CC[C@H](F)C1 ZINC001363611601 953540894 /nfs/dbraw/zinc/54/08/94/953540894.db2.gz RBZQKKMVMLNQCP-GJZGRUSLSA-N 2 0 299.434 1.609 10 0 CDAERP CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001324727803 953545889 /nfs/dbraw/zinc/54/58/89/953545889.db2.gz MDCYAMLGDPUEMX-UMVBOHGHSA-N 2 0 267.417 1.175 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1CC1CCC1 ZINC001493131788 971957018 /nfs/dbraw/zinc/95/70/18/971957018.db2.gz KPEWMIIGOYYXEK-AWEZNQCLSA-N 2 0 267.417 1.319 10 0 CDAERP OC1(C[NH+]2CCCCC2)CC[NH+](Cc2ccncc2)CC1 ZINC001363845626 953906472 /nfs/dbraw/zinc/90/64/72/953906472.db2.gz AUYXMEQNSCIXOO-UHFFFAOYSA-N 2 0 289.423 1.894 10 0 CDAERP CC1CC[NH+](CC(=O)N[C@H]2C[C@H]([NH+](C)C)C23CCC3)CC1 ZINC001364190382 954305337 /nfs/dbraw/zinc/30/53/37/954305337.db2.gz DEDRDYSPWVGAQO-GJZGRUSLSA-N 2 0 293.455 1.707 10 0 CDAERP Cc1cc([C@H]([NH3+])CC(=O)NCCCC[NH3+])cc(Cl)n1 ZINC001326374550 954347409 /nfs/dbraw/zinc/34/74/09/954347409.db2.gz AOTJAYJDMLIUNG-LLVKDONJSA-N 2 0 284.791 1.288 10 0 CDAERP C[C@@H](C(N)=O)N1CCC[C@@H](c2cncn2C(C)(C)C)C1 ZINC001364527714 954745886 /nfs/dbraw/zinc/74/58/86/954745886.db2.gz BMSVVDMWSZRTDA-NWDGAFQWSA-N 2 0 278.400 1.691 10 0 CDAERP CC[C@H](C)C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001569188883 1169712290 /nfs/dbraw/zinc/71/22/90/1169712290.db2.gz OKRFVYYQFFAAJZ-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP CCCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001327604159 954957684 /nfs/dbraw/zinc/95/76/84/954957684.db2.gz SSJFYJLRJDWZSX-HOCLYGCPSA-N 2 0 299.459 1.070 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]C/C=C\Cl ZINC001493548246 972080605 /nfs/dbraw/zinc/08/06/05/972080605.db2.gz ZOEKOSPCKDFUII-SCXUMTSISA-N 2 0 287.835 1.660 10 0 CDAERP CN(CC[NH2+]CCC(C)(C)C)C(=O)C1([NH+](C)C)CCC1 ZINC001493575243 972083016 /nfs/dbraw/zinc/08/30/16/972083016.db2.gz VXWJSNLWRKKNCV-UHFFFAOYSA-N 2 0 283.460 1.955 10 0 CDAERP COC[C@H](C)[NH2+]CCC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001421598748 955428425 /nfs/dbraw/zinc/42/84/25/955428425.db2.gz WRUGTXDWYDNZQI-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP COCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)C(C)C ZINC001421641847 955447060 /nfs/dbraw/zinc/44/70/60/955447060.db2.gz SXMOJYCCGHAEGK-LSDHHAIUSA-N 2 0 297.443 1.038 10 0 CDAERP CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001491833064 955456471 /nfs/dbraw/zinc/45/64/71/955456471.db2.gz WBJXCJVGEPWXIR-NFAHFFEMSA-N 2 0 281.444 1.733 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CC=C(C)C)C1 ZINC001491849008 955467727 /nfs/dbraw/zinc/46/77/27/955467727.db2.gz BBOZNRDEGQPFTM-HNNXBMFYSA-N 2 0 281.444 1.733 10 0 CDAERP CC(C)[C@H](C(=O)N1CC[C@@H](C[NH2+]CCF)C1)[NH+]1CCCC1 ZINC001491855537 955469417 /nfs/dbraw/zinc/46/94/17/955469417.db2.gz IPJFOWGNWCMTAT-LSDHHAIUSA-N 2 0 299.434 1.514 10 0 CDAERP CC(C)(C)CC[NH2+]C[C@@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001491859309 955471669 /nfs/dbraw/zinc/47/16/69/955471669.db2.gz TTXMIRBGHBVINJ-AWEZNQCLSA-N 2 0 292.427 1.757 10 0 CDAERP COC[C@H](C)[N@H+](C)CCCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001421892708 955634466 /nfs/dbraw/zinc/63/44/66/955634466.db2.gz NUUYWVXDNMGTRN-LSDHHAIUSA-N 2 0 299.459 1.143 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NCC[C@H](C)[NH2+]CC1CC1 ZINC001492129010 955640171 /nfs/dbraw/zinc/64/01/71/955640171.db2.gz LDEINHHAYDSBAK-LBPRGKRZSA-N 2 0 255.406 1.221 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CCF ZINC001492092519 955648431 /nfs/dbraw/zinc/64/84/31/955648431.db2.gz UJHTWAAWNXRSNI-ZIAGYGMSSA-N 2 0 287.423 1.703 10 0 CDAERP CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001422063194 955726267 /nfs/dbraw/zinc/72/62/67/955726267.db2.gz RGXYTWNEAAMDTR-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP Cc1ncsc1CCC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC001365324850 955898099 /nfs/dbraw/zinc/89/80/99/955898099.db2.gz YCMUHRTXQPJIAD-UHFFFAOYSA-N 2 0 297.468 1.773 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CCCO ZINC001422564835 956156148 /nfs/dbraw/zinc/15/61/48/956156148.db2.gz JGFKAMLXYNYWSY-HUUCEWRRSA-N 2 0 299.459 1.068 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CCCO ZINC001422564827 956156987 /nfs/dbraw/zinc/15/69/87/956156987.db2.gz JGFKAMLXYNYWSY-CABCVRRESA-N 2 0 299.459 1.068 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)C1 ZINC001363447660 972174913 /nfs/dbraw/zinc/17/49/13/972174913.db2.gz NFPYNKIGSPRRSG-YHUYYLMFSA-N 2 0 293.455 1.659 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H]2C[NH+](CCC)C[C@H]2C1 ZINC001422878375 956419417 /nfs/dbraw/zinc/41/94/17/956419417.db2.gz ODBSTSFVZURSQS-BZUAXINKSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH2+]C[C@@H](C)CNC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC001330585676 956498554 /nfs/dbraw/zinc/49/85/54/956498554.db2.gz ZKMGFGFRVGNXKK-BXUZGUMPSA-N 2 0 261.369 1.193 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CC12CC[NH+](CC1CCC1)CC2 ZINC001366023476 956515158 /nfs/dbraw/zinc/51/51/58/956515158.db2.gz QVEZXEZYBXWIOA-HNNXBMFYSA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001366224654 956647512 /nfs/dbraw/zinc/64/75/12/956647512.db2.gz HMNKBVQKTMZNBS-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001366301427 956721553 /nfs/dbraw/zinc/72/15/53/956721553.db2.gz LECPBRJPKHFUDB-HUUCEWRRSA-N 2 0 283.460 1.857 10 0 CDAERP Cc1ccccc1C[NH2+][C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001366356910 956767596 /nfs/dbraw/zinc/76/75/96/956767596.db2.gz JKNWHKBCLMXZJM-HNNXBMFYSA-N 2 0 289.423 1.685 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CCC1CC1 ZINC001366365773 956773185 /nfs/dbraw/zinc/77/31/85/956773185.db2.gz KXNCEGDSMBYLIL-UKRRQHHQSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001423499646 956816642 /nfs/dbraw/zinc/81/66/42/956816642.db2.gz XUNKYUCRZXKBLG-ZIAGYGMSSA-N 2 0 297.418 1.411 10 0 CDAERP CC(C)[NH2+]CCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001569257812 1169737402 /nfs/dbraw/zinc/73/74/02/1169737402.db2.gz MRWZCBUCZCHDQF-ZDUSSCGKSA-N 2 0 255.406 1.175 10 0 CDAERP CC[NH2+]C[C@]1(C)CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001423634581 956911456 /nfs/dbraw/zinc/91/14/56/956911456.db2.gz FFDVGWUMKAGWBQ-HOCLYGCPSA-N 2 0 281.444 1.709 10 0 CDAERP CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001423747411 956965647 /nfs/dbraw/zinc/96/56/47/956965647.db2.gz GTAPXSNMLKLHKL-GFCCVEGCSA-N 2 0 291.386 1.420 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]1CCOC1 ZINC001366615518 957043839 /nfs/dbraw/zinc/04/38/39/957043839.db2.gz DGJJEGHLSNXVGD-GJZGRUSLSA-N 2 0 299.459 1.047 10 0 CDAERP CC[N@H+](CCCC(C)C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001366625389 957051080 /nfs/dbraw/zinc/05/10/80/957051080.db2.gz JUXDOTQSTSYGMO-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CC[N@H+](C)CCCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001316854714 957075280 /nfs/dbraw/zinc/07/52/80/957075280.db2.gz UPKVHFYVKFPDAA-KBPBESRZSA-N 2 0 267.417 1.461 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NCCC[NH+](CCF)C2CC2)C1 ZINC001316923423 957130453 /nfs/dbraw/zinc/13/04/53/957130453.db2.gz GXICCNWFUMNDLQ-ZDUSSCGKSA-N 2 0 285.407 1.268 10 0 CDAERP CCCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CC2CC2)C1 ZINC001366819962 957204779 /nfs/dbraw/zinc/20/47/79/957204779.db2.gz UXOQGEZRAONDMW-HOTGVXAUSA-N 2 0 293.455 1.661 10 0 CDAERP O=C(C[NH+]1CCCC1)NCC[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001366850699 957222016 /nfs/dbraw/zinc/22/20/16/957222016.db2.gz FDVRZMCEGHQJIV-MRXNPFEDSA-N 2 0 293.455 1.711 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@@H](CCNC(=O)Cn2ccnc2)C1 ZINC001366854660 957227544 /nfs/dbraw/zinc/22/75/44/957227544.db2.gz UQWFRTKZAVMDAM-ZIAGYGMSSA-N 2 0 296.390 1.459 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1ccccc1N1CCCC1 ZINC001331839947 957292732 /nfs/dbraw/zinc/29/27/32/957292732.db2.gz OQYAMQGTOJNEIW-UHFFFAOYSA-N 2 0 277.412 1.742 10 0 CDAERP CC/C=C\CC[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001569267344 1169741705 /nfs/dbraw/zinc/74/17/05/1169741705.db2.gz RYFMJNKYDUMJNF-IYKSTZQJSA-N 2 0 281.444 1.733 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH+](C)CC1CCCC1 ZINC001425032367 957451211 /nfs/dbraw/zinc/45/12/11/957451211.db2.gz RGQPWHJUJZWEGD-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3([NH+](C)C)CCC3)[C@@H]2C1 ZINC001425326494 957514791 /nfs/dbraw/zinc/51/47/91/957514791.db2.gz LUZBEBIOLOCILH-QKDCVEJESA-N 2 0 293.455 1.421 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001317502987 957516240 /nfs/dbraw/zinc/51/62/40/957516240.db2.gz VQQXLMVWKPGCPI-UONOGXRCSA-N 2 0 267.417 1.461 10 0 CDAERP CCCCCC[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001317589624 957585014 /nfs/dbraw/zinc/58/50/14/957585014.db2.gz REFIQTNYEPYEJI-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCC1CC1 ZINC001317593126 957589152 /nfs/dbraw/zinc/58/91/52/957589152.db2.gz OVARATUFFRQSJA-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)N(CC[N@H+](C)CC1CC1)C(=O)CC[NH+](C)C ZINC001332724743 957688679 /nfs/dbraw/zinc/68/86/79/957688679.db2.gz VOWQPLUSSHNOCH-UHFFFAOYSA-N 2 0 269.433 1.517 10 0 CDAERP Cc1nc(C)c(C[NH2+]C[C@H](C)N(C)C(=O)CC[NH+](C)C)o1 ZINC001367375926 957976477 /nfs/dbraw/zinc/97/64/77/957976477.db2.gz KXMKKEHLGOJPND-NSHDSACASA-N 2 0 296.415 1.180 10 0 CDAERP CC(C)C[NH2+]C[C@@H](CC(C)C)NC(=O)C[NH+]1CCCC1 ZINC001367427337 958008661 /nfs/dbraw/zinc/00/86/61/958008661.db2.gz XIQJKISXAVSAET-OAHLLOKOSA-N 2 0 283.460 1.859 10 0 CDAERP COCC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001367540262 958118474 /nfs/dbraw/zinc/11/84/74/958118474.db2.gz FYKLQYKQMUSQBR-LSDHHAIUSA-N 2 0 297.443 1.040 10 0 CDAERP COC[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001494861961 972325392 /nfs/dbraw/zinc/32/53/92/972325392.db2.gz GFXVXEDVUUZFEI-LSDHHAIUSA-N 2 0 299.459 1.286 10 0 CDAERP CC[C@@H](C(=O)N1CCC[C@@H](CC[NH2+]CC2CC2)C1)[NH+](C)C ZINC001318834571 958277355 /nfs/dbraw/zinc/27/73/55/958277355.db2.gz DYGJGFBTBIHFNT-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP Cc1nocc1C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001367742332 958291678 /nfs/dbraw/zinc/29/16/78/958291678.db2.gz XDTPNKRSEFMWPI-FZMZJTMJSA-N 2 0 294.399 1.062 10 0 CDAERP C[NH+](C)CCC(=O)NCc1ccc(C[NH2+]CCF)cc1F ZINC001333479760 958366516 /nfs/dbraw/zinc/36/65/16/958366516.db2.gz NXXNRCNXBWTNSI-UHFFFAOYSA-N 2 0 299.365 1.453 10 0 CDAERP CC(C)[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001569302668 1169753688 /nfs/dbraw/zinc/75/36/88/1169753688.db2.gz AESLRHZTRLCNJM-MRVWCRGKSA-N 2 0 267.417 1.219 10 0 CDAERP CC[C@H](F)C[NH2+]C1(CNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001368043323 958600813 /nfs/dbraw/zinc/60/08/13/958600813.db2.gz OKRSUVDKSDYGJV-LBPRGKRZSA-N 2 0 273.396 1.313 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+](C)C(C)C ZINC001368127224 958653195 /nfs/dbraw/zinc/65/31/95/958653195.db2.gz ZQWWEEDOPGTGND-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001368167798 958679344 /nfs/dbraw/zinc/67/93/44/958679344.db2.gz IKUDSGGOZUXWGY-MRXNPFEDSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001368219069 958706162 /nfs/dbraw/zinc/70/61/62/958706162.db2.gz GPXYLYCHIGQLOW-KRWDZBQOSA-N 2 0 295.471 1.957 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@@]1(CO)CCC[NH+](CCC)C1 ZINC001368369464 958795046 /nfs/dbraw/zinc/79/50/46/958795046.db2.gz AFBSZKRUEPKDKN-INIZCTEOSA-N 2 0 299.459 1.071 10 0 CDAERP CC/C=C\CC[N@H+](C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001320073094 958921866 /nfs/dbraw/zinc/92/18/66/958921866.db2.gz QQXHVHQRJSQPIM-WAYWQWQTSA-N 2 0 293.455 1.829 10 0 CDAERP CC[C@@H](C(=O)N1CCC[C@H]1C[N@H+](C)CCO)[NH+](CC)CC ZINC001368805035 959147880 /nfs/dbraw/zinc/14/78/80/959147880.db2.gz XYDWRGGHTNNQPJ-GJZGRUSLSA-N 2 0 299.459 1.022 10 0 CDAERP CO[C@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001369161649 959491310 /nfs/dbraw/zinc/49/13/10/959491310.db2.gz FAYJBDRUKRBSNB-TUVASFSCSA-N 2 0 299.459 1.092 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@@H]2C[NH+](C(C)C)C[C@@H]2C1 ZINC001369158157 959493766 /nfs/dbraw/zinc/49/37/66/959493766.db2.gz IOZZOUSBICBDJE-OWCLPIDISA-N 2 0 295.471 1.952 10 0 CDAERP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1 ZINC001369305984 959621201 /nfs/dbraw/zinc/62/12/01/959621201.db2.gz OUGFIZCYCBIJBU-GDBMZVCRSA-N 2 0 289.423 1.575 10 0 CDAERP CN(C(=O)CC[NH+](C)C)C1CC([NH2+]Cc2cscn2)C1 ZINC001369576243 959769534 /nfs/dbraw/zinc/76/95/34/959769534.db2.gz YZJQBGFEEFDURP-UHFFFAOYSA-N 2 0 296.440 1.174 10 0 CDAERP CN(C(=O)CC[NH+](C)C)C1CC([NH2+]CC[C@H]2CCCO2)C1 ZINC001369574020 959769722 /nfs/dbraw/zinc/76/97/22/959769722.db2.gz KBJONBGHUFFKGQ-YMAMQOFZSA-N 2 0 297.443 1.086 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]C(C)C)C1CC1 ZINC001370205464 960020810 /nfs/dbraw/zinc/02/08/10/960020810.db2.gz RRCZNDLURFOTTQ-HOTGVXAUSA-N 2 0 295.471 2.000 10 0 CDAERP C[C@H](F)CC[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001370282682 960041555 /nfs/dbraw/zinc/04/15/55/960041555.db2.gz PWVKXUYTZGAJSY-GXTWGEPZSA-N 2 0 285.407 1.315 10 0 CDAERP C[C@@H](F)CC[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001370282696 960042032 /nfs/dbraw/zinc/04/20/32/960042032.db2.gz PWVKXUYTZGAJSY-OCCSQVGLSA-N 2 0 285.407 1.315 10 0 CDAERP CC(C)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001370294981 960046151 /nfs/dbraw/zinc/04/61/51/960046151.db2.gz SAORBBHZIVJSHU-CVEARBPZSA-N 2 0 295.471 1.907 10 0 CDAERP C([C@@H]1CCCO1)[C@H]1COCCN1C[C@@H]1CCC[NH2+]C1 ZINC001336092339 960198483 /nfs/dbraw/zinc/19/84/83/960198483.db2.gz AMFPDBOGJJLDQG-ILXRZTDVSA-N 2 0 268.401 1.256 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@H]1CCC[N@H+](CCC2CC2)C1 ZINC001370979878 960246134 /nfs/dbraw/zinc/24/61/34/960246134.db2.gz SIUWJTRWMWVEAI-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1ccccc1C)[NH+](C)C ZINC001371423002 972513027 /nfs/dbraw/zinc/51/30/27/972513027.db2.gz WOPQNANEYMCQOW-GOEBONIOSA-N 2 0 291.439 1.930 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)CC[NH+]2CC[C@@H](F)C2)CC[N@@H+]1C ZINC001433747094 960581332 /nfs/dbraw/zinc/58/13/32/960581332.db2.gz RFFKIQNGNOMJQI-UPJWGTAASA-N 2 0 271.380 1.019 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001323301811 960627214 /nfs/dbraw/zinc/62/72/14/960627214.db2.gz KZGNKHZRMGYVDJ-HUUCEWRRSA-N 2 0 281.444 1.709 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)CC1CC1 ZINC001418572462 960744394 /nfs/dbraw/zinc/74/43/94/960744394.db2.gz ZRJSQMVNMLDDCZ-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP CC1CC(C[N@@H+]2CC[C@H](CNC(=O)CC[NH+](C)C)C2)C1 ZINC001418674389 960886787 /nfs/dbraw/zinc/88/67/87/960886787.db2.gz MAANLRYZLZXPHZ-SHARSMKWSA-N 2 0 281.444 1.422 10 0 CDAERP CC(C)[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001418856822 961102088 /nfs/dbraw/zinc/10/20/88/961102088.db2.gz SWZDXFCMKDNUIG-JKSUJKDBSA-N 2 0 289.423 1.794 10 0 CDAERP Cc1ncccc1C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001419090273 961359255 /nfs/dbraw/zinc/35/92/55/961359255.db2.gz NRJXNUKDPUWKRU-OAHLLOKOSA-N 2 0 290.411 1.032 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001419177409 961469512 /nfs/dbraw/zinc/46/95/12/961469512.db2.gz ZWQZAKNAZWWTDL-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC[C@H]2CCCCO2)C1 ZINC001419417961 961682404 /nfs/dbraw/zinc/68/24/04/961682404.db2.gz JTDSSLBYAIIYOS-RBSFLKMASA-N 2 0 297.443 1.134 10 0 CDAERP Cc1nc(C[NH2+]C[C@H](C)CNC(=O)CC[NH+](C)C)oc1C ZINC001419524294 961788247 /nfs/dbraw/zinc/78/82/47/961788247.db2.gz WTOXLLJOBOIVOX-NSHDSACASA-N 2 0 296.415 1.085 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001419987464 962330484 /nfs/dbraw/zinc/33/04/84/962330484.db2.gz GCCOHOULQMRQPF-CABCVRRESA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]2C[NH+](CC)CC[C@@H]21 ZINC001436942942 962512508 /nfs/dbraw/zinc/51/25/08/962512508.db2.gz IBZBABPPVVTUSF-CABCVRRESA-N 2 0 281.444 1.661 10 0 CDAERP CC(C)C[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001436978043 962538937 /nfs/dbraw/zinc/53/89/37/962538937.db2.gz LMBPLXQQFHEURD-QXSJWSMHSA-N 2 0 295.471 1.857 10 0 CDAERP Cc1cc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C)cs1 ZINC001437119317 962647336 /nfs/dbraw/zinc/64/73/36/962647336.db2.gz CEJYPDSPNATNFY-FZMZJTMJSA-N 2 0 295.452 1.745 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CC[C@H]([NH2+]C/C=C\Cl)C1 ZINC001437289322 962787717 /nfs/dbraw/zinc/78/77/17/962787717.db2.gz IOCMEMJXHWPIGL-FHMRSRPSSA-N 2 0 271.792 1.025 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCC[NH+]2CCC2CC2)C1 ZINC001437681443 963118941 /nfs/dbraw/zinc/11/89/41/963118941.db2.gz STEZTLWMVLSLJO-HOCLYGCPSA-N 2 0 293.455 1.709 10 0 CDAERP Cc1cncc(C[N@@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C)c1 ZINC001420614678 963122280 /nfs/dbraw/zinc/12/22/80/963122280.db2.gz HNDLOPMRBFFKMD-AWEZNQCLSA-N 2 0 292.427 1.278 10 0 CDAERP CCCC[N@@H+]1CC[C@H](CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001420895066 963335441 /nfs/dbraw/zinc/33/54/41/963335441.db2.gz SBSSJQQRHUNHRC-HOTGVXAUSA-N 2 0 295.471 1.957 10 0 CDAERP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]C[C@@H](F)CC ZINC001438368887 963433241 /nfs/dbraw/zinc/43/32/41/963433241.db2.gz NWXOVRKSIDXYGZ-QWHCGFSZSA-N 2 0 273.396 1.315 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]C[C@H](F)CC ZINC001438464087 963454386 /nfs/dbraw/zinc/45/43/86/963454386.db2.gz VRWFCOBXKRXJLI-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP CC[C@H](C)C[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)C(C)C ZINC001438836081 963565494 /nfs/dbraw/zinc/56/54/94/963565494.db2.gz CVUXYTORJDRRFY-LSDHHAIUSA-N 2 0 283.460 1.859 10 0 CDAERP CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001439247055 963687619 /nfs/dbraw/zinc/68/76/19/963687619.db2.gz YGRMHKDBIXUUDB-UONOGXRCSA-N 2 0 281.444 1.755 10 0 CDAERP CCc1cccc(C[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C)c1 ZINC001439245766 963690693 /nfs/dbraw/zinc/69/06/93/963690693.db2.gz OTAPWQUJHUTWEK-AWEZNQCLSA-N 2 0 291.439 1.795 10 0 CDAERP CCC(CC)C[NH2+]C[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001439253045 963691479 /nfs/dbraw/zinc/69/14/79/963691479.db2.gz LGCQTLCPJRIZQL-KBPBESRZSA-N 2 0 283.460 1.859 10 0 CDAERP CC[C@H](C)C[N@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001439368240 963741762 /nfs/dbraw/zinc/74/17/62/963741762.db2.gz WYCUJFOARXWYOY-UONOGXRCSA-N 2 0 283.460 1.811 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1CC1CCCC1 ZINC001439565522 963803092 /nfs/dbraw/zinc/80/30/92/963803092.db2.gz VQBVEADUHYCOCP-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001439782506 963857825 /nfs/dbraw/zinc/85/78/25/963857825.db2.gz FFLRJNDJKPGHQD-KGLIPLIRSA-N 2 0 285.407 1.411 10 0 CDAERP O=C(C[NH+]1CCCC1)NCC1([NH2+]C/C=C\Cl)CCC1 ZINC001440352254 963996780 /nfs/dbraw/zinc/99/67/80/963996780.db2.gz KQADFRYQILNWIR-DAXSKMNVSA-N 2 0 285.819 1.463 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001440717235 964141417 /nfs/dbraw/zinc/14/14/17/964141417.db2.gz SDKVVPJGPHIBNZ-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](F)CC[N@H+](C)[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001440962445 964291240 /nfs/dbraw/zinc/29/12/40/964291240.db2.gz KMIDIZILUPGBIS-OLZOCXBDSA-N 2 0 287.423 1.513 10 0 CDAERP COC[C@@H](C)[NH2+][C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001441420769 964507680 /nfs/dbraw/zinc/50/76/80/964507680.db2.gz ORRRIUBBXNYDTR-RBSFLKMASA-N 2 0 299.459 1.236 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1ccccn1)[NH+](C)C ZINC001441856194 964753942 /nfs/dbraw/zinc/75/39/42/964753942.db2.gz QGZFGHDBJBSXCD-GXTWGEPZSA-N 2 0 278.400 1.016 10 0 CDAERP CC(C)N(CC[N@@H+](C)C[C@H](C)O)C(=O)[C@@H]1CCCC[NH+]1C ZINC001442118772 964872411 /nfs/dbraw/zinc/87/24/11/964872411.db2.gz OAZRHUYXJMAWMC-GJZGRUSLSA-N 2 0 299.459 1.020 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC001346028664 964893250 /nfs/dbraw/zinc/89/32/50/964893250.db2.gz PWTJJHRKMRUJAT-JHJVBQTASA-N 2 0 253.390 1.152 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)CCCF)C1 ZINC001442217264 964930362 /nfs/dbraw/zinc/93/03/62/964930362.db2.gz SFEZVIJOTMHNNF-CQSZACIVSA-N 2 0 287.423 1.609 10 0 CDAERP CCN(CCNC(=O)[C@@H]1CCC[N@@H+]1C)Cc1conc1C ZINC001442636000 965150473 /nfs/dbraw/zinc/15/04/73/965150473.db2.gz FQYLXUPBJITMHF-AWEZNQCLSA-N 2 0 294.399 1.015 10 0 CDAERP CC[C@@H](C)C[N@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001442653486 965162956 /nfs/dbraw/zinc/16/29/56/965162956.db2.gz SVELEYNAKNRVNH-RBSFLKMASA-N 2 0 283.460 1.811 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001442810340 965229660 /nfs/dbraw/zinc/22/96/60/965229660.db2.gz XHIZDZSSGBNZMF-CABCVRRESA-N 2 0 281.444 1.851 10 0 CDAERP C[N@H+](CC(=O)N[C@H]1C[NH+](C)CC1(C)C)CC(C)(C)C ZINC001558503479 965301449 /nfs/dbraw/zinc/30/14/49/965301449.db2.gz KGHDVORVGXPJPD-LBPRGKRZSA-N 2 0 269.433 1.421 10 0 CDAERP COC[C@H](C)[N@@H+]1CC[C@@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001443276115 965424469 /nfs/dbraw/zinc/42/44/69/965424469.db2.gz WGZRZYSZJQVYEH-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](CC[C@H](C)F)C1)[NH+](C)C ZINC001443768312 965600274 /nfs/dbraw/zinc/60/02/74/965600274.db2.gz NOMAXWHGEXKVMM-BFHYXJOUSA-N 2 0 287.423 1.511 10 0 CDAERP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)CC[NH+]1CC[C@@H](F)C1 ZINC001444272392 965771257 /nfs/dbraw/zinc/77/12/57/965771257.db2.gz YZBIXDXGHCMCKD-ZIAGYGMSSA-N 2 0 285.407 1.221 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C[NH2+]CC1CC1 ZINC001444310215 965790450 /nfs/dbraw/zinc/79/04/50/965790450.db2.gz ODZBGHPINYJHFE-SWLSCSKDSA-N 2 0 279.428 1.080 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CCC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC001348212971 965878068 /nfs/dbraw/zinc/87/80/68/965878068.db2.gz MFRBNKBTHVYDGF-LBPRGKRZSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)C1CC[NH+](C)CC1 ZINC001445615184 966255323 /nfs/dbraw/zinc/25/53/23/966255323.db2.gz PTWGQZMNJRRJPF-ZDUSSCGKSA-N 2 0 295.471 1.859 10 0 CDAERP C[NH+](C)CCCC(=O)NCC1([NH2+]Cc2cncs2)CC1 ZINC001446224783 966489942 /nfs/dbraw/zinc/48/99/42/966489942.db2.gz LBLPTIIWHWGQBW-UHFFFAOYSA-N 2 0 296.440 1.223 10 0 CDAERP CCC[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001446291169 966506004 /nfs/dbraw/zinc/50/60/04/966506004.db2.gz AVJZNZYUSUHILB-AWEZNQCLSA-N 2 0 281.444 1.755 10 0 CDAERP CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C(C)C ZINC001446302548 966508967 /nfs/dbraw/zinc/50/89/67/966508967.db2.gz VVZCVRDQOOJORW-CABCVRRESA-N 2 0 281.444 1.802 10 0 CDAERP CC[C@@H](C(=O)N[C@]1(CO)CCC[N@H+](CC)C1)[NH+](CC)CC ZINC001447040751 966686010 /nfs/dbraw/zinc/68/60/10/966686010.db2.gz RTMFHZBDJBSWIX-GOEBONIOSA-N 2 0 299.459 1.070 10 0 CDAERP CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCC[NH+]1CCCC1 ZINC001447049073 966686966 /nfs/dbraw/zinc/68/69/66/966686966.db2.gz WTOPXJPDYBRMHV-CVEARBPZSA-N 2 0 293.455 1.948 10 0 CDAERP CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCC[NH+]1CCCC1 ZINC001447049136 966687632 /nfs/dbraw/zinc/68/76/32/966687632.db2.gz WTOPXJPDYBRMHV-HOTGVXAUSA-N 2 0 293.455 1.948 10 0 CDAERP C[NH+](C)CC1(CNC(=O)CC[N@@H+]2CC[C@@H](F)C2)CCCC1 ZINC001447496562 966799183 /nfs/dbraw/zinc/79/91/83/966799183.db2.gz QNUNJDZPZSOCPD-CQSZACIVSA-N 2 0 299.434 1.659 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CC[N@@H+](C(C)C)CC1(C)C)[NH+](C)C ZINC001447594619 966825333 /nfs/dbraw/zinc/82/53/33/966825333.db2.gz ZCUHMEWJMGMSNE-KGLIPLIRSA-N 2 0 283.460 1.952 10 0 CDAERP CN(CC1([NH+](C)C)CCC1)C(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001447962068 966941448 /nfs/dbraw/zinc/94/14/48/966941448.db2.gz HDBZVBIWVACAEX-ZDUSSCGKSA-N 2 0 285.407 1.363 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C)C1CC[NH+](CCF)CC1)[NH+](C)C ZINC001449363200 967444305 /nfs/dbraw/zinc/44/43/05/967444305.db2.gz BJUNWAWLWOHHSV-JSGCOSHPSA-N 2 0 287.423 1.513 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001480530544 968114310 /nfs/dbraw/zinc/11/43/10/968114310.db2.gz JOCGVNPDORFJMG-CYBMUJFWSA-N 2 0 267.417 1.389 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCCC[NH+]1CCOCC1 ZINC001354601353 968795589 /nfs/dbraw/zinc/79/55/89/968795589.db2.gz PGCBHEMGFAAWNW-OAHLLOKOSA-N 2 0 297.443 1.088 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+]Cc1cnc(Cl)n1C ZINC000848546497 969164540 /nfs/dbraw/zinc/16/45/40/969164540.db2.gz CQPGVMIGRMURGI-UHFFFAOYSA-N 2 0 288.823 1.522 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)[C@H]2CCC[C@H]21 ZINC000848573538 969181348 /nfs/dbraw/zinc/18/13/48/969181348.db2.gz IGKDRSRCAUEFHM-APIJFGDWSA-N 2 0 293.411 1.432 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@@H](O)c2ccc(F)cn2)C1 ZINC000848676129 969232378 /nfs/dbraw/zinc/23/23/78/969232378.db2.gz ITQVRYIVWQAAGJ-SCDSUCTJSA-N 2 0 267.348 1.184 10 0 CDAERP CCN1CC[C@@H]1C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001464610756 969799984 /nfs/dbraw/zinc/79/99/84/969799984.db2.gz RPDKPBABHDSIJW-LVQVYYBASA-N 2 0 293.455 1.944 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NCc1ccccc1C[NH+](C)C ZINC001464891365 969831172 /nfs/dbraw/zinc/83/11/72/969831172.db2.gz OULBQIXJENFFEU-AWEZNQCLSA-N 2 0 291.439 1.952 10 0 CDAERP C[NH+](C)CCOc1cccc(CNC2=[NH+]CCCCN2)c1 ZINC000849215703 969915497 /nfs/dbraw/zinc/91/54/97/969915497.db2.gz YOPGDFSQTJDKQL-UHFFFAOYSA-N 2 0 290.411 1.456 10 0 CDAERP C[C@@]1(NC(=O)CC[N@@H+]2CC[C@H](F)C2)C[NH+]2CCC1CC2 ZINC001469998479 970283872 /nfs/dbraw/zinc/28/38/72/970283872.db2.gz YAILYFOJHVTUCL-DZGCQCFKSA-N 2 0 283.391 1.021 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC001361732349 970472157 /nfs/dbraw/zinc/47/21/57/970472157.db2.gz RZXJXYQUINUNSB-CVEARBPZSA-N 2 0 293.455 1.804 10 0 CDAERP CC(C)C[C@@H](CNC(=O)[C@H](C)CC[NH+](C)C)[NH+](C)C ZINC001361930307 970686381 /nfs/dbraw/zinc/68/63/81/970686381.db2.gz NIMYDLLULAURTA-KGLIPLIRSA-N 2 0 271.449 1.667 10 0 CDAERP C[C@H](C[NH2+]CC1CCC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001496228870 972848782 /nfs/dbraw/zinc/84/87/82/972848782.db2.gz DGYHTVIOGFYNJM-OCCSQVGLSA-N 2 0 267.417 1.175 10 0 CDAERP CC[C@@H](C(=O)NCCN(CC)Cc1cncs1)[NH+](C)C ZINC001372467966 972965987 /nfs/dbraw/zinc/96/59/87/972965987.db2.gz VCAHVZLKMGJZRR-ZDUSSCGKSA-N 2 0 298.456 1.421 10 0 CDAERP CC[NH2+][C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C(C)C ZINC001496602923 972985673 /nfs/dbraw/zinc/98/56/73/972985673.db2.gz LJBMXVDIBDBWFP-QWHCGFSZSA-N 2 0 255.406 1.079 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@@H](CNC(=O)Cn2ccnc2)C1 ZINC001372685756 973080987 /nfs/dbraw/zinc/08/09/87/973080987.db2.gz VONDFNCQUJRCDQ-HNNXBMFYSA-N 2 0 292.427 1.757 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[NH+](C/C=C\Cl)C1 ZINC001372682447 973082415 /nfs/dbraw/zinc/08/24/15/973082415.db2.gz OHLOPSGHAUFFFL-RYWCDNDXSA-N 2 0 287.835 1.517 10 0 CDAERP CCC[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)CC1CC1 ZINC001372743682 973105078 /nfs/dbraw/zinc/10/50/78/973105078.db2.gz WICCKHLVMPDCDZ-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001417758151 973366919 /nfs/dbraw/zinc/36/69/19/973366919.db2.gz QHTFFKYQQXDMEK-MQYQWHSLSA-N 2 0 285.407 1.313 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001417797635 973391235 /nfs/dbraw/zinc/39/12/35/973391235.db2.gz HGKMCHOWCVYJIE-IHRRRGAJSA-N 2 0 297.418 1.315 10 0 CDAERP CC(C)CCC[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001497546252 973400380 /nfs/dbraw/zinc/40/03/80/973400380.db2.gz CYYWLSUETIXJHO-MBVDDHJVSA-N 2 0 281.444 1.779 10 0 CDAERP C[NH+](C)CCC(=O)NCC1C[NH+](CCCC(C)(C)C)C1 ZINC001373529298 973482915 /nfs/dbraw/zinc/48/29/15/973482915.db2.gz JHOSJYHWMMDLBJ-UHFFFAOYSA-N 2 0 283.460 1.812 10 0 CDAERP CC(C)CC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001497750140 973487115 /nfs/dbraw/zinc/48/71/15/973487115.db2.gz PQSRHPJVGBWUJA-ZRUQZJFASA-N 2 0 267.417 1.246 10 0 CDAERP CC(C)CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001497750787 973487256 /nfs/dbraw/zinc/48/72/56/973487256.db2.gz WEWVURURWRKZHJ-FOSCPCJNSA-N 2 0 281.444 1.636 10 0 CDAERP CCC[NH+]1CCC2(C[C@H]2NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001417955195 973495813 /nfs/dbraw/zinc/49/58/13/973495813.db2.gz KBCDIQKFWBKWQJ-CQSZACIVSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CCC(F)(F)F ZINC001418300209 973736826 /nfs/dbraw/zinc/73/68/26/973736826.db2.gz JHMYNIVYQGQUPS-MNOVXSKESA-N 2 0 295.349 1.375 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001418347506 973759641 /nfs/dbraw/zinc/75/96/41/973759641.db2.gz XQNLTKFZRCYGCL-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)C[N@H+](C)C[C@H](C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001498427348 973906486 /nfs/dbraw/zinc/90/64/86/973906486.db2.gz WDNCRAKXHRUDSS-KBPBESRZSA-N 2 0 269.433 1.421 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)C(C)C ZINC001418569884 973976445 /nfs/dbraw/zinc/97/64/45/973976445.db2.gz MWHOZVBIXFRHOM-LSDHHAIUSA-N 2 0 281.444 1.850 10 0 CDAERP CCC[NH2+]C[C@@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001498774296 974056747 /nfs/dbraw/zinc/05/67/47/974056747.db2.gz LWDUDJSIUMRNFA-HUUCEWRRSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H](C[NH2+]Cc1ccsc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001374835846 974143724 /nfs/dbraw/zinc/14/37/24/974143724.db2.gz WGUYYZOEFCEXKH-GFCCVEGCSA-N 2 0 293.436 1.438 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CC[NH+]1CC1CC1 ZINC001375317307 974328239 /nfs/dbraw/zinc/32/82/39/974328239.db2.gz FPJGXLOLXFHJSJ-LSDHHAIUSA-N 2 0 279.428 1.461 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001375519999 974411353 /nfs/dbraw/zinc/41/13/53/974411353.db2.gz AMJWQEISBIJCLR-TUVASFSCSA-N 2 0 281.444 1.611 10 0 CDAERP CC[NH2+][C@H]1C[C@H](CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001375552103 974419776 /nfs/dbraw/zinc/41/97/76/974419776.db2.gz WZNUTNZZBYNELR-XEZPLFJOSA-N 2 0 299.434 1.703 10 0 CDAERP C[N@H+](CC(=O)N1CC[C@](C)(C[NH2+]CCCF)C1)C1CCC1 ZINC001500354352 974426524 /nfs/dbraw/zinc/42/65/24/974426524.db2.gz QAMYBEIVNQPCKY-MRXNPFEDSA-N 2 0 299.434 1.659 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CC1CC1 ZINC001375607518 974434950 /nfs/dbraw/zinc/43/49/50/974434950.db2.gz WTJAOSXDQRAYBI-LSDHHAIUSA-N 2 0 293.455 1.850 10 0 CDAERP CC[C@H](C(=O)N1CC[C@](C)(C[NH2+]CC(C)C)C1)[NH+](C)C ZINC001375876940 974502413 /nfs/dbraw/zinc/50/24/13/974502413.db2.gz FCWMRHFXRCSPAU-GDBMZVCRSA-N 2 0 283.460 1.811 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CCCF)C1 ZINC001501582580 974602675 /nfs/dbraw/zinc/60/26/75/974602675.db2.gz VZDIDDPXBDBFSA-CABCVRRESA-N 2 0 299.434 1.659 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1C[C@H](C)[C@@H](C[NH2+]C(C)C)C1 ZINC001376359319 974639842 /nfs/dbraw/zinc/63/98/42/974639842.db2.gz HELQOMCZVSQHBT-GJZGRUSLSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001376593101 974694124 /nfs/dbraw/zinc/69/41/24/974694124.db2.gz YAOXRGUHCFVGLI-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]CC1CCCC1 ZINC001376739337 974751587 /nfs/dbraw/zinc/75/15/87/974751587.db2.gz KKKLBAQPCYYQCY-ZDUSSCGKSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)C[NH2+]C1(C)CCN(C(=O)Cn2ccnc2)CC1 ZINC001502810969 974788588 /nfs/dbraw/zinc/78/85/88/974788588.db2.gz KDNQPAWWJOBPMT-UHFFFAOYSA-N 2 0 278.400 1.510 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC2CCC2)CC1(C)C ZINC001502831936 974792530 /nfs/dbraw/zinc/79/25/30/974792530.db2.gz HURHBYNQZGJOMY-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP C[N@H+](CCCF)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001377179941 974916299 /nfs/dbraw/zinc/91/62/99/974916299.db2.gz GMJOHBXEXLIRHI-UHFFFAOYSA-N 2 0 285.407 1.270 10 0 CDAERP CC[C@H](C(=O)NC1(C[NH2+]CC(C)C)CCOCC1)[NH+](C)C ZINC001377199616 974921488 /nfs/dbraw/zinc/92/14/88/974921488.db2.gz RDYKNTAHUGEUHV-CQSZACIVSA-N 2 0 299.459 1.238 10 0 CDAERP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@@H](C)[NH2+]CC1CCC1 ZINC001505621904 974941702 /nfs/dbraw/zinc/94/17/02/974941702.db2.gz NCPZLECBHMBXAB-CHWSQXEVSA-N 2 0 281.444 1.754 10 0 CDAERP C[C@@H]([NH2+]Cc1ccccc1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001505684732 974962086 /nfs/dbraw/zinc/96/20/86/974962086.db2.gz CGTUJUNBMQVOSQ-KGLIPLIRSA-N 2 0 277.412 1.621 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001505760737 974984876 /nfs/dbraw/zinc/98/48/76/974984876.db2.gz OLBBJUZQAJTCFN-ZIAGYGMSSA-N 2 0 269.433 1.776 10 0 CDAERP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001377482356 975047017 /nfs/dbraw/zinc/04/70/17/975047017.db2.gz XXIGATPNNHWISP-LSDHHAIUSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@H](F)C[N@@H+]1CCCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001506867952 975237116 /nfs/dbraw/zinc/23/71/16/975237116.db2.gz ZSAIRRICAPLGNV-AWEZNQCLSA-N 2 0 299.434 1.611 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC([NH+](C)CCCOC)CC1 ZINC001506971267 975278400 /nfs/dbraw/zinc/27/84/00/975278400.db2.gz XXSFVDBFBGVAGR-UHFFFAOYSA-N 2 0 299.459 1.288 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001507153693 975355903 /nfs/dbraw/zinc/35/59/03/975355903.db2.gz IWGNTVZSIFQAFB-CQSZACIVSA-N 2 0 267.417 1.485 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C1C[NH+](CCC(C)C)C1)[NH+](C)C ZINC001378579491 975403522 /nfs/dbraw/zinc/40/35/22/975403522.db2.gz DVXVYDCXLCQLPY-DZGCQCFKSA-N 2 0 283.460 1.809 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@@](C)(C[NH2+]CC1CCC1)C1CC1 ZINC001401010493 975435796 /nfs/dbraw/zinc/43/57/96/975435796.db2.gz YWPWKMZXQPGOHK-RDJZCZTQSA-N 2 0 293.455 1.755 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001397078087 975455266 /nfs/dbraw/zinc/45/52/66/975455266.db2.gz LVIMSQSPIOIASN-OKILXGFUSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH2+]CC1CC(C)(C)C1 ZINC001401108874 975468649 /nfs/dbraw/zinc/46/86/49/975468649.db2.gz XSXPCHIPHDMVSE-ZFWWWQNUSA-N 2 0 295.471 1.859 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@H]1C[C@H]([NH2+]C/C=C/Cl)C1 ZINC001397145190 975477041 /nfs/dbraw/zinc/47/70/41/975477041.db2.gz JXVWJCVOZKWERN-GXDJRFECSA-N 2 0 285.819 1.319 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+]Cc1ccns1 ZINC001401160751 975488530 /nfs/dbraw/zinc/48/85/30/975488530.db2.gz YPYBAQKORYNHJP-LBPRGKRZSA-N 2 0 298.456 1.325 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC2CC2)C1 ZINC001378824987 975506984 /nfs/dbraw/zinc/50/69/84/975506984.db2.gz TWEHMCYGDBDSAW-GOEBONIOSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](F)CC[N@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001378933492 975548527 /nfs/dbraw/zinc/54/85/27/975548527.db2.gz YHVBVTOTCWSFLL-KGLIPLIRSA-N 2 0 299.434 1.609 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001388784205 975597630 /nfs/dbraw/zinc/59/76/30/975597630.db2.gz BLWAPFBYNMCOOB-CABCVRRESA-N 2 0 281.444 1.374 10 0 CDAERP CC[C@H](F)C[NH2+]C1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001508148544 975621637 /nfs/dbraw/zinc/62/16/37/975621637.db2.gz XPACAMPYCIMTES-HSBZDZAISA-N 2 0 285.407 1.409 10 0 CDAERP C[C@@H](C[NH2+]CC1CCCC1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001401705563 975815457 /nfs/dbraw/zinc/81/54/57/975815457.db2.gz FEGJIGHAWUWOPR-KGLIPLIRSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@H](C[NH2+]Cc1ccccn1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001405788305 975865694 /nfs/dbraw/zinc/86/56/94/975865694.db2.gz BFYODLSELXTGDN-HIFRSBDPSA-N 2 0 290.411 1.112 10 0 CDAERP COC[C@@H](C)[NH+]1CCC(N(C)C(=O)C[N@H+](C)C(C)C)CC1 ZINC001398241085 975905467 /nfs/dbraw/zinc/90/54/67/975905467.db2.gz ZPYJVZWMVLLHOE-CQSZACIVSA-N 2 0 299.459 1.284 10 0 CDAERP C[C@H](C[N@H+](C)CCCF)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001401795656 975919440 /nfs/dbraw/zinc/91/94/40/975919440.db2.gz GVGQGCZEUVOTGN-CHWSQXEVSA-N 2 0 273.396 1.124 10 0 CDAERP C[C@@H](C[N@H+](C)Cc1ccsc1)NC(=O)C[NH+]1CCCC1 ZINC001401799230 975923863 /nfs/dbraw/zinc/92/38/63/975923863.db2.gz GFKGQCLFSYUOOQ-ZDUSSCGKSA-N 2 0 295.452 1.780 10 0 CDAERP C[C@H](C[N@H+](C)CCCF)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001379727524 976037891 /nfs/dbraw/zinc/03/78/91/976037891.db2.gz HQTQDXZRHWYGSW-CYBMUJFWSA-N 2 0 287.423 1.657 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCC2)C1)[NH+](C)C ZINC001398658527 976090633 /nfs/dbraw/zinc/09/06/33/976090633.db2.gz FPGXMZISRFNRHE-QLFBSQMISA-N 2 0 281.444 1.754 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001398668797 976100430 /nfs/dbraw/zinc/10/04/30/976100430.db2.gz WBXLJZSTWLSMOD-XDQVBPFNSA-N 2 0 285.407 1.313 10 0 CDAERP CCC(CC)C[NH2+]C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001402060632 976104475 /nfs/dbraw/zinc/10/44/75/976104475.db2.gz RJRIVQSOBGJKSZ-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001379918033 976125716 /nfs/dbraw/zinc/12/57/16/976125716.db2.gz MXKKHHHLQDHXKL-CABCVRRESA-N 2 0 299.459 1.020 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC2([NH2+]CC3CC3)CC2)C1 ZINC001380158702 976273422 /nfs/dbraw/zinc/27/34/22/976273422.db2.gz SWCNTXPXQOFDAN-LSDHHAIUSA-N 2 0 293.455 1.755 10 0 CDAERP O=C(NCC1([NH2+]CC2CC2)CCC1)[C@H]1C[NH+]2CCC1CC2 ZINC001402547409 976355968 /nfs/dbraw/zinc/35/59/68/976355968.db2.gz RSSWRUNSRYUREK-HNNXBMFYSA-N 2 0 291.439 1.367 10 0 CDAERP CC[C@H](C(=O)NCC[C@@H](C)[NH2+]CCC(F)(F)F)[NH+](C)C ZINC001390716233 976451497 /nfs/dbraw/zinc/45/14/97/976451497.db2.gz UHXRFSACJZNOCT-GHMZBOCLSA-N 2 0 297.365 1.763 10 0 CDAERP O=C(NCC1([NH2+]CCF)CC1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001406982022 976502243 /nfs/dbraw/zinc/50/22/43/976502243.db2.gz ZZRYXRXRHUORCQ-CHWSQXEVSA-N 2 0 283.391 1.211 10 0 CDAERP C[NH+](C)CCC(=O)N1CCCC[C@H]1[C@@H]1CC[N@H+](CCF)C1 ZINC001406998507 976509152 /nfs/dbraw/zinc/50/91/52/976509152.db2.gz JARIIVLIZFHHTL-CABCVRRESA-N 2 0 299.434 1.611 10 0 CDAERP Cc1ncoc1C[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001402913854 976585354 /nfs/dbraw/zinc/58/53/54/976585354.db2.gz ZEXWPCYTUMDOKL-DGCLKSJQSA-N 2 0 294.399 1.062 10 0 CDAERP CC[C@H](C(=O)N[C@@]1(C)CC[N@H+](CCOC(C)C)C1)[NH+](C)C ZINC001407204296 976602855 /nfs/dbraw/zinc/60/28/55/976602855.db2.gz KTJUWVWFQOVJRG-ZBFHGGJFSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)[NH+](C)CC(=O)N[C@]1(C)CC[N@@H+](CC[C@H](C)F)C1 ZINC001407218739 976608544 /nfs/dbraw/zinc/60/85/44/976608544.db2.gz WTJZVBDAHOXUMS-DZGCQCFKSA-N 2 0 287.423 1.655 10 0 CDAERP CC[C@@H](C)C[N@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001390958514 976621576 /nfs/dbraw/zinc/62/15/76/976621576.db2.gz DFHKNEQMCYBULL-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP CC[N@H+](CCCF)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001399807740 976684577 /nfs/dbraw/zinc/68/45/77/976684577.db2.gz DVEBRWKVCWFOJP-CYBMUJFWSA-N 2 0 273.396 1.126 10 0 CDAERP C[C@@H]([NH2+]CCC1CC1)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001407559357 976698271 /nfs/dbraw/zinc/69/82/71/976698271.db2.gz SDBPWWIHIQRFCM-GDBMZVCRSA-N 2 0 293.455 1.709 10 0 CDAERP CC[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1cccnc1)[NH+](C)C ZINC001381222894 976725212 /nfs/dbraw/zinc/72/52/12/976725212.db2.gz KCQWNBHAKLUCIF-DZGCQCFKSA-N 2 0 292.427 1.406 10 0 CDAERP CN(CCC[N@H+](C)CCC1CC1)C(=O)C12CC[NH+](CC1)C2 ZINC001407948589 976846879 /nfs/dbraw/zinc/84/68/79/976846879.db2.gz INBHEQZDLOWMDH-UHFFFAOYSA-N 2 0 293.455 1.663 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)C1C[NH+](CCC(C)(C)C)C1 ZINC001403323377 976880078 /nfs/dbraw/zinc/88/00/78/976880078.db2.gz KVPQMHDCPSMHEK-CYBMUJFWSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)[NH+]1CC([C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001403326320 976883539 /nfs/dbraw/zinc/88/35/39/976883539.db2.gz MBPJUERCYVTAQC-ZDUSSCGKSA-N 2 0 281.444 1.706 10 0 CDAERP C[C@H](F)CC[N@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001400227232 976938503 /nfs/dbraw/zinc/93/85/03/976938503.db2.gz FFUUPVIBEPBOBA-LSDHHAIUSA-N 2 0 299.434 1.611 10 0 CDAERP CC(C)CC[NH2+][C@H](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001403426473 976949429 /nfs/dbraw/zinc/94/94/29/976949429.db2.gz FBUIFYHYVMCHLG-CQSZACIVSA-N 2 0 283.460 1.859 10 0 CDAERP CC1CC(C[NH+]2CC(CNC(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001400553254 977091103 /nfs/dbraw/zinc/09/11/03/977091103.db2.gz SWGBMTZHGIGZMI-SLTAFYQDSA-N 2 0 293.455 1.422 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC2CC2)CC[N@@H+]1C ZINC001382062083 977148082 /nfs/dbraw/zinc/14/80/82/977148082.db2.gz ALLANSHNGGOXSO-VHDGCEQUSA-N 2 0 281.444 1.563 10 0 CDAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]CC1CC(C)C1 ZINC001391949454 977160907 /nfs/dbraw/zinc/16/09/07/977160907.db2.gz MHLOTJZQHJKJPX-SLTAFYQDSA-N 2 0 293.455 1.470 10 0 CDAERP CC[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001569847700 1170016037 /nfs/dbraw/zinc/01/60/37/1170016037.db2.gz WVEWUOJCZANRCU-STQMWFEESA-N 2 0 255.406 1.032 10 0 CDAERP CC(C)N(CC[N@H+](C)CC1CC1)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001382505743 977295269 /nfs/dbraw/zinc/29/52/69/977295269.db2.gz KXHRUBMKLBTXFQ-INIZCTEOSA-N 2 0 295.471 1.907 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001404020150 977310342 /nfs/dbraw/zinc/31/03/42/977310342.db2.gz IZZLGSCMOYCRSC-KGLIPLIRSA-N 2 0 285.407 1.411 10 0 CDAERP CC[C@@H](C[NH2+]C1CC(N(C)C(=O)C[N@H+](C)C(C)C)C1)OC ZINC001404026714 977310983 /nfs/dbraw/zinc/31/09/83/977310983.db2.gz ZOMGZQRLTTZEBL-NRXISQOPSA-N 2 0 299.459 1.331 10 0 CDAERP Cc1ccccc1C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001392530828 977473183 /nfs/dbraw/zinc/47/31/83/977473183.db2.gz QTQWKPWPBSWPTC-GDBMZVCRSA-N 2 0 289.423 1.541 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001392880398 977636368 /nfs/dbraw/zinc/63/63/68/977636368.db2.gz SHZSERCFYFUXLD-LSDHHAIUSA-N 2 0 299.434 1.801 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001392910378 977648805 /nfs/dbraw/zinc/64/88/05/977648805.db2.gz AXJCYKIAKYTJOO-GFCCVEGCSA-N 2 0 285.407 1.457 10 0 CDAERP CC(C)CCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001394048860 978029701 /nfs/dbraw/zinc/02/97/01/978029701.db2.gz ZHVXTKFXDZSBIJ-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCF)C[C@H]21)[NH+](C)C ZINC001394322865 978133884 /nfs/dbraw/zinc/13/38/84/978133884.db2.gz VXFNKFVAZDKWTE-XQLPTFJDSA-N 2 0 299.434 1.226 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CCC2CC2)C[C@H]1C ZINC001394675949 978228732 /nfs/dbraw/zinc/22/87/32/978228732.db2.gz FJBKIMRZNVXXBL-HIFRSBDPSA-N 2 0 281.444 1.706 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@@]12CCC[C@H]1[NH+](CC)CC2 ZINC001394696814 978232945 /nfs/dbraw/zinc/23/29/45/978232945.db2.gz ZIDLFBNFLLJYSL-GDBMZVCRSA-N 2 0 281.444 1.851 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]C/C=C/Cl)C(C)(C)C2)C1 ZINC001394717707 978238679 /nfs/dbraw/zinc/23/86/79/978238679.db2.gz SCCKUMAQXGPKJD-DRKGASSASA-N 2 0 299.846 1.517 10 0 CDAERP CC(C)N(CC[N@H+](C)CC1CCC1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001394814422 978274529 /nfs/dbraw/zinc/27/45/29/978274529.db2.gz QKIQPSAUAYQJKB-INIZCTEOSA-N 2 0 295.471 1.907 10 0 CDAERP CC/C=C\CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001674257939 1173927434 /nfs/dbraw/zinc/92/74/34/1173927434.db2.gz GFSWLKWMFXVLKN-LUNKNMTDSA-N 2 0 281.444 1.779 10 0 CDAERP CC/C=C/CC[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001675042777 1174064930 /nfs/dbraw/zinc/06/49/30/1174064930.db2.gz PBUFTFOEKSNMEM-NFAHFFEMSA-N 2 0 281.444 1.875 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@@H](CC[NH2+]CC2CCC2)C1 ZINC001570013962 1170060143 /nfs/dbraw/zinc/06/01/43/1170060143.db2.gz VBONGPIERGVGLV-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP CO[C@@H](C)C[NH2+]CC[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001570021133 1170060669 /nfs/dbraw/zinc/06/06/69/1170060669.db2.gz BZMNGAHUMPMASB-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP CC[N@H+]1[C@H](C)CN(C(=O)[C@H](C)CC[NH+](C)C)C[C@@H]1C ZINC001570900975 1170315530 /nfs/dbraw/zinc/31/55/30/1170315530.db2.gz FJCWMHIKDUXLTC-MCIONIFRSA-N 2 0 269.433 1.515 10 0 CDAERP CN(C(=O)C1([NH+](C)C)CCC1)[C@@H](C[NH2+]CCF)C1CC1 ZINC001571361606 1170385582 /nfs/dbraw/zinc/38/55/82/1170385582.db2.gz SAZDCXDTWLERRO-ZDUSSCGKSA-N 2 0 285.407 1.267 10 0 CDAERP CCCCC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001571654554 1170510419 /nfs/dbraw/zinc/51/04/19/1170510419.db2.gz FULHPDBIWQGTIN-YMAMQOFZSA-N 2 0 281.444 1.850 10 0 CDAERP CO[C@H](C)C[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]1C ZINC001657025672 1171914866 /nfs/dbraw/zinc/91/48/66/1171914866.db2.gz JVKDMWOXABLUBV-KFWWJZLASA-N 2 0 299.459 1.332 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000300407112 342488952 /nfs/dbraw/zinc/48/89/52/342488952.db2.gz GPWGKVRREQBICT-GJZGRUSLSA-N 2 0 275.396 1.677 10 0 CDAERP CC(C)(C)OC(=O)COCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000601145563 342481322 /nfs/dbraw/zinc/48/13/22/342481322.db2.gz YDXOAHOLEQMTEY-KGLIPLIRSA-N 2 0 298.427 1.561 10 0 CDAERP C[NH+](C)CCCC[NH2+]Cc1cccc(NS(C)(=O)=O)c1 ZINC000589646908 342510848 /nfs/dbraw/zinc/51/08/48/342510848.db2.gz QVBIJYVELMEBDC-UHFFFAOYSA-N 2 0 299.440 1.490 10 0 CDAERP C[C@@H]1CN(C(=O)Nc2ccc(C[NH3+])cc2)C[C@@H]1[NH+](C)C ZINC000124472943 187139130 /nfs/dbraw/zinc/13/91/30/187139130.db2.gz FWXWZWKSUKNQGR-RISCZKNCSA-N 2 0 276.384 1.559 10 0 CDAERP CC(C)C[N@H+](C)CCCN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000650740240 398170979 /nfs/dbraw/zinc/17/09/79/398170979.db2.gz JJGGLZOQDRXXMB-SOUVJXGZSA-N 2 0 271.449 1.306 10 0 CDAERP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)CC[NH2+]C(C)(C)C ZINC000720898046 781919160 /nfs/dbraw/zinc/91/91/60/781919160.db2.gz INEBFTCGEFYQOQ-QWHCGFSZSA-N 2 0 267.417 1.460 10 0 CDAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000262626417 361738727 /nfs/dbraw/zinc/73/87/27/361738727.db2.gz BZCAUVKVYQRDSG-DGAVXFQQSA-N 2 0 265.401 1.199 10 0 CDAERP CCC[C@H](C(=O)NCC[N@@H+]1CCC[C@H](C)C1)[NH+](C)C ZINC000136030102 361782818 /nfs/dbraw/zinc/78/28/18/361782818.db2.gz BJJUWTMXVOKLRF-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP COC(=O)c1ccc(CN2CC[C@@H]([NH3+])C[C@@H]2C)nc1 ZINC000131936846 342069393 /nfs/dbraw/zinc/06/93/93/342069393.db2.gz WZFVQRNDIBEFQD-CMPLNLGQSA-N 2 0 263.341 1.180 10 0 CDAERP CN(CC1C[NH+](C)C1)C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000618191008 342133165 /nfs/dbraw/zinc/13/31/65/342133165.db2.gz PJIVMILUZPPCLW-MRXNPFEDSA-N 2 0 289.423 1.699 10 0 CDAERP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000417817043 282953183 /nfs/dbraw/zinc/95/31/83/282953183.db2.gz RCEMPRDVADCGNY-NEPJUHHUSA-N 2 0 255.406 1.398 10 0 CDAERP C[N@@H+]1CC[C@@]2(CCN(CC(=O)NCC(C)(C)C)C2)C1 ZINC000625445825 342166891 /nfs/dbraw/zinc/16/68/91/342166891.db2.gz IDDBGLAOJDXVMW-OAHLLOKOSA-N 2 0 267.417 1.176 10 0 CDAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C12CC(C1)C2 ZINC000625540534 342183535 /nfs/dbraw/zinc/18/35/35/342183535.db2.gz LVKWWEDNJHZWEI-UHFFFAOYSA-N 2 0 281.444 1.519 10 0 CDAERP C[C@@H]1C[C@@]2(C[NH+]=C(N)N2Cc2ccccc2)CC[N@@H+]1C ZINC000157229538 342188993 /nfs/dbraw/zinc/18/89/93/342188993.db2.gz VCVWUGPVFUTDQG-CZUORRHYSA-N 2 0 272.396 1.670 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCc1nc(C)c(C)s1 ZINC000422888623 536595199 /nfs/dbraw/zinc/59/51/99/536595199.db2.gz DFNYBROCVLQNJM-GFCCVEGCSA-N 2 0 271.430 1.646 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1ccc(F)cc1Cl ZINC000629399139 361931947 /nfs/dbraw/zinc/93/19/47/361931947.db2.gz MLBZYIVYTRXRHO-UHFFFAOYSA-N 2 0 260.740 1.934 10 0 CDAERP CC(C)(C)c1ncc(C[NH2+]CCOCCC[NH3+])s1 ZINC000629399783 361937095 /nfs/dbraw/zinc/93/70/95/361937095.db2.gz WFHPWQLFPZFBKF-UHFFFAOYSA-N 2 0 271.430 1.896 10 0 CDAERP COC(=O)c1ccc(CN[C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000600677939 342241896 /nfs/dbraw/zinc/24/18/96/342241896.db2.gz DUMVNWBNJZIYOZ-CQSZACIVSA-N 2 0 274.364 1.847 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)[C@H]1SC ZINC000594614188 342927967 /nfs/dbraw/zinc/92/79/67/342927967.db2.gz JHGGLFFLGKIAMT-MEBFFEOJSA-N 2 0 272.458 1.825 10 0 CDAERP COc1cccc(OCC[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000923499078 781920993 /nfs/dbraw/zinc/92/09/93/781920993.db2.gz RHZONISAUASEPR-KGLIPLIRSA-N 2 0 278.396 1.991 10 0 CDAERP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CCC[N@H+](C)CC(C)C ZINC000594947409 342981374 /nfs/dbraw/zinc/98/13/74/342981374.db2.gz CZVXLGAAQQTURQ-HZSPNIEDSA-N 2 0 270.417 1.752 10 0 CDAERP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)CSCCF)CC1 ZINC000595006198 342989295 /nfs/dbraw/zinc/98/92/95/342989295.db2.gz GYYHPYOIBPABFF-KGLIPLIRSA-N 2 0 291.480 1.693 10 0 CDAERP COC[C@@H]1CCN1C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000645160868 362191659 /nfs/dbraw/zinc/19/16/59/362191659.db2.gz UUIHZGWKEBCPIW-JKSUJKDBSA-N 2 0 278.396 1.200 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccco2)CC1(C)C ZINC000623454332 346988905 /nfs/dbraw/zinc/98/89/05/346988905.db2.gz ABXBQXPKDWIFMP-KGLIPLIRSA-N 2 0 280.412 1.893 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000569676558 362298867 /nfs/dbraw/zinc/29/88/67/362298867.db2.gz VMSFILKDCOAXFK-GDBMZVCRSA-N 2 0 296.459 1.502 10 0 CDAERP COC(=O)C(C)(C)CC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000601970547 344299665 /nfs/dbraw/zinc/29/96/65/344299665.db2.gz LWWNQGGTRQNDAY-GFCCVEGCSA-N 2 0 270.417 1.944 10 0 CDAERP Cc1ccc([C@@H](C)NC[C@@H](O)C[N@H+](C)C2CC2)o1 ZINC000289612303 362425212 /nfs/dbraw/zinc/42/52/12/362425212.db2.gz UKIJHPSPDXWGAW-DGCLKSJQSA-N 2 0 252.358 1.694 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000623066950 344645962 /nfs/dbraw/zinc/64/59/62/344645962.db2.gz UNIMNBSXTHYYRY-IUODEOHRSA-N 2 0 290.411 1.868 10 0 CDAERP C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000262614831 344694281 /nfs/dbraw/zinc/69/42/81/344694281.db2.gz CMJWRJWUQLREJM-KFWWJZLASA-N 2 0 281.444 1.742 10 0 CDAERP CC(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623342382 346070749 /nfs/dbraw/zinc/07/07/49/346070749.db2.gz XADPOBOAFROVFQ-CQSZACIVSA-N 2 0 267.417 1.460 10 0 CDAERP CC[C@H](C)NC(=O)CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623362709 346091172 /nfs/dbraw/zinc/09/11/72/346091172.db2.gz GQYVHFMGMWCREO-STQMWFEESA-N 2 0 269.433 1.754 10 0 CDAERP C[C@@H](C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1)[NH+]1CCCCCC1 ZINC000261733649 295745467 /nfs/dbraw/zinc/74/54/67/295745467.db2.gz CXGBEGWIJFROMM-UONOGXRCSA-N 2 0 281.444 1.837 10 0 CDAERP Cc1cc(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)ccn1 ZINC000623416157 346266615 /nfs/dbraw/zinc/26/66/15/346266615.db2.gz LLQIVAMALOVTGN-MRXNPFEDSA-N 2 0 288.439 1.648 10 0 CDAERP CC(C)CC[NH+]1CCN(C(=O)[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000085369268 179039300 /nfs/dbraw/zinc/03/93/00/179039300.db2.gz KKFIIGGQDSAVOF-CABCVRRESA-N 2 0 281.444 1.694 10 0 CDAERP CCc1nc2c(n1[C@@H](C)CC[NH+](C)C)CC[NH2+]C2 ZINC000085573457 179098007 /nfs/dbraw/zinc/09/80/07/179098007.db2.gz WVPVJCMPBUYOFA-NSHDSACASA-N 2 0 250.390 1.604 10 0 CDAERP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2O)CC1 ZINC000223567308 346479217 /nfs/dbraw/zinc/47/92/17/346479217.db2.gz OXVUHAHVKWPTTP-HUUCEWRRSA-N 2 0 254.418 2.000 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@]2(C)CC[NH2+]C2)cc1 ZINC000612914505 347328987 /nfs/dbraw/zinc/32/89/87/347328987.db2.gz FUTWIMIGRNWJTO-XHDPSFHLSA-N 2 0 276.384 1.258 10 0 CDAERP CCC[NH+]1CCC(N2CC[NH2+][C@@](C)(C3CC3)C2)CC1 ZINC000086144509 179237312 /nfs/dbraw/zinc/23/73/12/179237312.db2.gz JCOACWSRTUACOT-MRXNPFEDSA-N 2 0 265.445 1.935 10 0 CDAERP C[C@H]1C[NH2+][C@H](Cc2ccccc2)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086172116 179244959 /nfs/dbraw/zinc/24/49/59/179244959.db2.gz SOMYXSCOTCFKIS-CGTJXYLNSA-N 2 0 287.451 1.986 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000417301900 482580824 /nfs/dbraw/zinc/58/08/24/482580824.db2.gz QFEKBCYTDXZILS-KGLIPLIRSA-N 2 0 284.448 1.406 10 0 CDAERP CC[C@@H]1C[NH2+][C@](C)(C2CC2)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086223924 179253913 /nfs/dbraw/zinc/25/39/13/179253913.db2.gz QBMMCRQILZWLSM-OAGGEKHMSA-N 2 0 265.445 1.933 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000623565499 347634874 /nfs/dbraw/zinc/63/48/74/347634874.db2.gz PGUHWXSDFDTDBK-MJBXVCDLSA-N 2 0 280.416 1.007 10 0 CDAERP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCc3nc[nH]c3C2)CC1 ZINC000614008688 347962040 /nfs/dbraw/zinc/96/20/40/347962040.db2.gz IJPBQZWXKOQISX-CHWSQXEVSA-N 2 0 290.411 1.457 10 0 CDAERP C[NH+](C)CCCCC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000080717989 348884524 /nfs/dbraw/zinc/88/45/24/348884524.db2.gz LFTMBRLDOTXDQE-GOOCMWNKSA-N 2 0 281.444 1.850 10 0 CDAERP CC(C)C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1CC1 ZINC000066961925 349008232 /nfs/dbraw/zinc/00/82/32/349008232.db2.gz WHNHYBJKTRGWJL-UHFFFAOYSA-N 2 0 293.455 1.850 10 0 CDAERP CCC[C@H](C)[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000066962071 349008523 /nfs/dbraw/zinc/00/85/23/349008523.db2.gz ZXPWPNIHXPEPAG-ZDUSSCGKSA-N 2 0 281.444 1.850 10 0 CDAERP C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+][C@H]2C[C@H](C(N)=O)C2)C1 ZINC000623662991 349394193 /nfs/dbraw/zinc/39/41/93/349394193.db2.gz TUDWYYMPHIDZNX-HNKHHVNMSA-N 2 0 287.407 1.675 10 0 CDAERP CCO[C@@H]1C[C@@H]([NH2+]CCOCCC[NH3+])C12CCC2 ZINC000629536436 362951002 /nfs/dbraw/zinc/95/10/02/362951002.db2.gz HSODAWSCPPWIIH-CHWSQXEVSA-N 2 0 256.390 1.289 10 0 CDAERP COc1ccc2c(c1)[C@H]([NH2+]CCOCCC[NH3+])CC2 ZINC000629539022 362955613 /nfs/dbraw/zinc/95/56/13/362955613.db2.gz NULISPTWBIWTAM-OAHLLOKOSA-N 2 0 264.369 1.638 10 0 CDAERP Cc1c([C@@H](C)[NH2+]CCOCCC[NH3+])cnn1C(C)C ZINC000629540446 362962343 /nfs/dbraw/zinc/96/23/43/362962343.db2.gz UOUKGQXVKRPHBJ-GFCCVEGCSA-N 2 0 268.405 1.788 10 0 CDAERP CC(C)n1cc([C@@H](C)[NH2+]CCOCCC[NH3+])cn1 ZINC000629541944 362966328 /nfs/dbraw/zinc/96/63/28/362966328.db2.gz UUUJXOJBJRAPII-GFCCVEGCSA-N 2 0 254.378 1.480 10 0 CDAERP COc1cccc([C@H](C)[NH2+]CCOCCC[NH3+])c1 ZINC000629542048 362966524 /nfs/dbraw/zinc/96/65/24/362966524.db2.gz XOLZGXBYYZLLAA-LBPRGKRZSA-N 2 0 252.358 1.711 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)C1CCCC1 ZINC000355194540 365983240 /nfs/dbraw/zinc/98/32/40/365983240.db2.gz GUDKDHDXJHJJJS-OAHLLOKOSA-N 2 0 281.444 1.851 10 0 CDAERP Fc1cccc(OC2CCN(C[C@@H]3C[NH2+]CCO3)CC2)c1 ZINC000629553775 362982089 /nfs/dbraw/zinc/98/20/89/362982089.db2.gz XQSFECNWRHPMPJ-INIZCTEOSA-N 2 0 294.370 1.657 10 0 CDAERP C[C@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)[C@H]1CCC[NH2+]C1 ZINC000629556631 362994008 /nfs/dbraw/zinc/99/40/08/362994008.db2.gz VMAXQRAHOSYAEN-SGMGOOAPSA-N 2 0 265.401 1.118 10 0 CDAERP CC[C@H]1CCCCN1C(=O)[C@H](C)[N@H+](C)CCOCC[NH2+]C ZINC000629566274 363011930 /nfs/dbraw/zinc/01/19/30/363011930.db2.gz ISIYIKUGHBOYOL-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1cc(C)ccc1OC ZINC000629569831 363021616 /nfs/dbraw/zinc/02/16/16/363021616.db2.gz SBXOWDIMRNQUBQ-UHFFFAOYSA-N 2 0 266.385 1.671 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000333628201 363068219 /nfs/dbraw/zinc/06/82/19/363068219.db2.gz SJKQTVHUOXOUOY-GJZGRUSLSA-N 2 0 296.459 1.548 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000624317008 351545094 /nfs/dbraw/zinc/54/50/94/351545094.db2.gz VZDUDTQHHXJRNA-KKUMJFAQSA-N 2 0 294.443 1.397 10 0 CDAERP C[C@H]1CCC[C@@H](C2(O)CNC2)[N@@H+]1Cc1ccccc1 ZINC000090411645 358473375 /nfs/dbraw/zinc/47/33/75/358473375.db2.gz HPXRRLUYHHFCGF-ZFWWWQNUSA-N 2 0 260.381 1.764 10 0 CDAERP Cc1cccc(CN(CC[NH+](C)C)C(=O)[C@H](C)[NH3+])c1 ZINC000157687945 188332762 /nfs/dbraw/zinc/33/27/62/188332762.db2.gz PHGBLQGUXCGZIN-ZDUSSCGKSA-N 2 0 263.385 1.232 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1ccccc1OC ZINC000629653076 363252385 /nfs/dbraw/zinc/25/23/85/363252385.db2.gz MIZCFCLPTXXSFI-UHFFFAOYSA-N 2 0 252.358 1.363 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000629653585 363254187 /nfs/dbraw/zinc/25/41/87/363254187.db2.gz QLHWGNYLXLKCKK-UHFFFAOYSA-N 2 0 280.412 1.980 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1ccc2cnccc2c1 ZINC000629677897 363327493 /nfs/dbraw/zinc/32/74/93/363327493.db2.gz IQNAEFAUTFGATN-UHFFFAOYSA-N 2 0 259.353 1.690 10 0 CDAERP Cc1cnn(CCN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000336322070 363367637 /nfs/dbraw/zinc/36/76/37/363367637.db2.gz UIVFQQMGEKYQCR-GJZGRUSLSA-N 2 0 262.401 1.608 10 0 CDAERP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)COC(C)C)C1 ZINC000644529921 366149298 /nfs/dbraw/zinc/14/92/98/366149298.db2.gz KPKWISBYCMEYLR-UONOGXRCSA-N 2 0 258.406 1.094 10 0 CDAERP C[C@@H]1C[C@H]([NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CCO1 ZINC000659907928 412611412 /nfs/dbraw/zinc/61/14/12/412611412.db2.gz AZWWZWLZICEFBI-ZACQAIPSSA-N 2 0 295.471 1.656 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCC2(O)CCOCC2)[C@H]2CCC[C@@H]21 ZINC000367698825 283135534 /nfs/dbraw/zinc/13/55/34/283135534.db2.gz QPNHJBOJWHOOOY-ILXRZTDVSA-N 2 0 282.428 1.380 10 0 CDAERP [NH3+][C@@H]1CCC[C@H](C(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC000336597738 356217315 /nfs/dbraw/zinc/21/73/15/356217315.db2.gz UBBRMDWHAYRBMN-LSDHHAIUSA-N 2 0 293.455 1.981 10 0 CDAERP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1C[C@H]([NH+](C)C)C1(C)C ZINC000636095911 363503499 /nfs/dbraw/zinc/50/34/99/363503499.db2.gz BIMSFUSTGNQMBI-UPJWGTAASA-N 2 0 283.460 1.998 10 0 CDAERP Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000070074244 356836915 /nfs/dbraw/zinc/83/69/15/356836915.db2.gz KZAZKBNZHWHPMS-AWEZNQCLSA-N 2 0 275.396 1.994 10 0 CDAERP CO[C@H]1CCC[C@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)C1 ZINC000684366895 482775353 /nfs/dbraw/zinc/77/53/53/482775353.db2.gz GPHJCAIZCKFROV-HOTGVXAUSA-N 2 0 283.460 1.560 10 0 CDAERP CC(C)[NH+]1CCC([NH2+]C[C@@H](O)C[C@@](C)(O)C2CC2)CC1 ZINC000634698324 357304200 /nfs/dbraw/zinc/30/42/00/357304200.db2.gz IRJKNNWZPJHDMP-JKSUJKDBSA-N 2 0 284.444 1.361 10 0 CDAERP C[NH+]1CCC(CC[NH2+]C[C@H](O)C[C@](C)(O)C2CC2)CC1 ZINC000634703097 357373645 /nfs/dbraw/zinc/37/36/45/357373645.db2.gz PVFUOOHLBVSXRO-CVEARBPZSA-N 2 0 284.444 1.220 10 0 CDAERP CC(C)(C)OC(=O)N1C[C@@H](C[NH3+])[C@@H]([NH+]2CCCC2)C1 ZINC000058041290 357375559 /nfs/dbraw/zinc/37/55/59/357375559.db2.gz ZEJJUVYIKSWJFY-NEPJUHHUSA-N 2 0 269.389 1.276 10 0 CDAERP C[NH+](C)CC1CCC([NH2+]C[C@H](O)C[C@@](C)(O)C2CC2)CC1 ZINC000634710528 357405139 /nfs/dbraw/zinc/40/51/39/357405139.db2.gz ZZJSBLCFUSUSCL-OKEQZYBDSA-N 2 0 298.471 1.608 10 0 CDAERP Cn1ccnc1CN1CC[C@H](CNc2ccccn2)C1 ZINC000097200627 358188444 /nfs/dbraw/zinc/18/84/44/358188444.db2.gz JEVANFBBHSAXNZ-CYBMUJFWSA-N 2 0 271.368 1.749 10 0 CDAERP C[C@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)[C@H]([NH3+])c1ccccc1 ZINC000130238775 358303404 /nfs/dbraw/zinc/30/34/04/358303404.db2.gz DSKMTOLMXSZVMJ-IMJJTQAJSA-N 2 0 287.407 1.629 10 0 CDAERP CC[C@](C)(O)C[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195269592 358423700 /nfs/dbraw/zinc/42/37/00/358423700.db2.gz NPSBVDDADMZNQK-SJORKVTESA-N 2 0 291.439 1.996 10 0 CDAERP C[NH2+][C@H](C)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000054076065 358700991 /nfs/dbraw/zinc/70/09/91/358700991.db2.gz CIOFVJWKYFEQAU-BZPMIXESSA-N 2 0 255.406 1.221 10 0 CDAERP CC(C)[N@@H+](C)CC1CCN(C(=O)CC[C@@H](C)[NH3+])CC1 ZINC000070317014 358936272 /nfs/dbraw/zinc/93/62/72/358936272.db2.gz CUWBJCVXKOIGTJ-CYBMUJFWSA-N 2 0 269.433 1.693 10 0 CDAERP C[NH+](C)CCOc1ccccc1CNC1=[NH+]CCCN1 ZINC000261876439 359074001 /nfs/dbraw/zinc/07/40/01/359074001.db2.gz QCFBGJPPCHXQBA-UHFFFAOYSA-N 2 0 276.384 1.066 10 0 CDAERP CC(C)[C@H](C)NC(=O)C1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261873943 359074247 /nfs/dbraw/zinc/07/42/47/359074247.db2.gz PHHSEKOCUIKCFK-YOEHRIQHSA-N 2 0 295.471 1.859 10 0 CDAERP [NH3+]CC1(C(=O)NCC[NH2+]C2CCCCCC2)CCOCC1 ZINC000262027664 359124216 /nfs/dbraw/zinc/12/42/16/359124216.db2.gz XFKDNRXWXBWTAW-UHFFFAOYSA-N 2 0 297.443 1.171 10 0 CDAERP CC(C)N1CC[N@@H+](C(C)C)C[C@@H]1CC1=[NH+]CCN1 ZINC000029340670 359150680 /nfs/dbraw/zinc/15/06/80/359150680.db2.gz BMQWUJMDPSSNQC-ZDUSSCGKSA-N 2 0 252.406 1.181 10 0 CDAERP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262305838 359153302 /nfs/dbraw/zinc/15/33/02/359153302.db2.gz CFMFBLRVKUXBNO-KLZNWCGWSA-N 2 0 291.439 1.509 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC000636156302 363645971 /nfs/dbraw/zinc/64/59/71/363645971.db2.gz OAQVLXKXQOMWMI-KGLIPLIRSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H](CC[NH+](C)C)NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000365428457 359428264 /nfs/dbraw/zinc/42/82/64/359428264.db2.gz NBJSXNNJCJLVIT-NFOMZHRRSA-N 2 0 296.459 1.643 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCN[C@@H](C)c1c[nH+]ccc1N ZINC000422911712 359669524 /nfs/dbraw/zinc/66/95/24/359669524.db2.gz ULRIJHIWSBYRJP-NEPJUHHUSA-N 2 0 250.390 1.875 10 0 CDAERP CC[NH+]1CCCC[C@H]1CNC(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000111836786 359670355 /nfs/dbraw/zinc/67/03/55/359670355.db2.gz RXHUKYLESLBRHH-CABCVRRESA-N 2 0 296.459 1.644 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000422921442 359675828 /nfs/dbraw/zinc/67/58/28/359675828.db2.gz PTXSDNRYLOIEBX-LPWJVIDDSA-N 2 0 253.390 1.103 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCOc1ncccc1Cl ZINC000422928826 359681262 /nfs/dbraw/zinc/68/12/62/359681262.db2.gz MXEUYUHUSVWFSG-LLVKDONJSA-N 2 0 287.791 1.457 10 0 CDAERP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cnccc1N ZINC000422982168 359697745 /nfs/dbraw/zinc/69/77/45/359697745.db2.gz VTMVRLAMYREBOE-ZIAGYGMSSA-N 2 0 292.427 1.382 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000422981825 359697908 /nfs/dbraw/zinc/69/79/08/359697908.db2.gz UNWDGIYGIFWUSQ-JSGCOSHPSA-N 2 0 266.385 1.667 10 0 CDAERP C[NH2+]CCN[C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000423253431 359760979 /nfs/dbraw/zinc/76/09/79/359760979.db2.gz ZBCSDVFJEIJERN-LSDHHAIUSA-N 2 0 263.385 1.297 10 0 CDAERP FC1(F)CC[NH2+]C[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000423474868 359809058 /nfs/dbraw/zinc/80/90/58/359809058.db2.gz HTTFGEIWDVRYKO-TUAOUCFPSA-N 2 0 259.344 1.200 10 0 CDAERP O=C([C@@H]1CC12CC[NH2+]CC2)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371250496 296002203 /nfs/dbraw/zinc/00/22/03/296002203.db2.gz YDWZQPHLXNOXIJ-KKUMJFAQSA-N 2 0 291.439 1.367 10 0 CDAERP C[C@@H](C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2)[NH+]1CCCCCC1 ZINC000336513152 363673868 /nfs/dbraw/zinc/67/38/68/363673868.db2.gz UXRHYULWSGNAKL-GOEBONIOSA-N 2 0 293.455 1.804 10 0 CDAERP CCn1cnnc1C1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000163308094 359903840 /nfs/dbraw/zinc/90/38/40/359903840.db2.gz CGLPYKKMDUSOAQ-HNNXBMFYSA-N 2 0 291.443 1.962 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000389537020 482834470 /nfs/dbraw/zinc/83/44/70/482834470.db2.gz DQGMVRVIFZDOMX-XQQFMLRXSA-N 2 0 253.390 1.104 10 0 CDAERP CN1CC[C@H](C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)CC1=O ZINC000424378408 360029557 /nfs/dbraw/zinc/02/95/57/360029557.db2.gz NSIDJRNJTKFYOT-TUKIKUTGSA-N 2 0 273.380 1.589 10 0 CDAERP [NH3+][C@@H]1CC[C@@H](C(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000237988327 360201251 /nfs/dbraw/zinc/20/12/51/360201251.db2.gz UQNKOTBWAWKXDK-HUUCEWRRSA-N 2 0 281.444 1.886 10 0 CDAERP [NH3+]Cc1cc(C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])co1 ZINC000335429856 360169243 /nfs/dbraw/zinc/16/92/43/360169243.db2.gz QFCXYXAQHORQIT-HNNXBMFYSA-N 2 0 285.347 1.437 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCC[NH+]1CCC1 ZINC000337706274 360359582 /nfs/dbraw/zinc/35/95/82/360359582.db2.gz XVFFHGYEDMSTBA-ZIAGYGMSSA-N 2 0 282.432 1.254 10 0 CDAERP C[C@]1(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)CC[NH2+]C1 ZINC000515650286 360527985 /nfs/dbraw/zinc/52/79/85/360527985.db2.gz QINSFWMTQHCULT-ZBFHGGJFSA-N 2 0 282.428 1.504 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CC[C@H]1C1CCC1)N1CC[NH+](C)CC1 ZINC000337990398 360605361 /nfs/dbraw/zinc/60/53/61/360605361.db2.gz SEPFDZHHBWPQFE-VNQPRFMTSA-N 2 0 265.445 1.791 10 0 CDAERP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000365189458 360630776 /nfs/dbraw/zinc/63/07/76/360630776.db2.gz BWANKEHFBMWENO-MELADBBJSA-N 2 0 267.417 1.447 10 0 CDAERP CC(=O)Nc1ccc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000634998409 360634328 /nfs/dbraw/zinc/63/43/28/360634328.db2.gz FHIFQKUYYZAKRF-RISCZKNCSA-N 2 0 261.369 1.672 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000626919626 360634539 /nfs/dbraw/zinc/63/45/39/360634539.db2.gz MENYTZLJUZIZCJ-UONOGXRCSA-N 2 0 296.459 1.691 10 0 CDAERP C[C@H](CNC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1)C[NH+]1CCCC1 ZINC000626942576 360667286 /nfs/dbraw/zinc/66/72/86/360667286.db2.gz MWOCBWIFKUTVAB-HZSPNIEDSA-N 2 0 282.432 1.158 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)c2ccc(C[NH3+])cc2)CC[N@@H+]1C ZINC000149285134 360950053 /nfs/dbraw/zinc/95/00/53/360950053.db2.gz IEKXDXWWNSVCCJ-RISCZKNCSA-N 2 0 261.369 1.358 10 0 CDAERP C[C@@H]([NH3+])c1ccc(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000335500147 296029669 /nfs/dbraw/zinc/02/96/69/296029669.db2.gz MWOFEZSFQYKLMU-DYVFJYSZSA-N 2 0 287.407 1.922 10 0 CDAERP C[N@@H+]1CC[C@H](NC[C@@H]2C[C@H](F)C[NH2+]2)[C@@H]2CCC[C@H]21 ZINC000643538847 361224481 /nfs/dbraw/zinc/22/44/81/361224481.db2.gz XPIWIQCKPBAMNR-HTVCTNPSSA-N 2 0 255.381 1.149 10 0 CDAERP CCn1nccc1CC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000367252591 366736200 /nfs/dbraw/zinc/73/62/00/366736200.db2.gz NLTVFHHCYSNLPZ-AWEZNQCLSA-N 2 0 264.417 1.862 10 0 CDAERP C[NH2+]CCCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000417932993 361402061 /nfs/dbraw/zinc/40/20/61/361402061.db2.gz DMHAVUZKYVMRMO-CABCVRRESA-N 2 0 290.411 1.341 10 0 CDAERP CC[N@H+](CCC1CC[NH+]([C@H]2CCNC2=O)CC1)CC1CC1 ZINC000357084650 366749709 /nfs/dbraw/zinc/74/97/09/366749709.db2.gz MCYWFUCSKCFCAY-INIZCTEOSA-N 2 0 293.455 1.709 10 0 CDAERP COc1ccc(OC)c(CNC[C@H](C)C[NH+](C)C)c1 ZINC000291693662 239227640 /nfs/dbraw/zinc/22/76/40/239227640.db2.gz JHCHMZJQYRBCJX-LBPRGKRZSA-N 2 0 266.385 1.991 10 0 CDAERP C[C@H](NC(=O)NCCC[NH3+])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417993785 364118503 /nfs/dbraw/zinc/11/85/03/364118503.db2.gz OKTWVNVKVNGIJY-QWHCGFSZSA-N 2 0 282.432 1.287 10 0 CDAERP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC(=O)NC2(C)C)C1 ZINC000459725232 364270818 /nfs/dbraw/zinc/27/08/18/364270818.db2.gz BFFGMMUNAXFUSF-CHWSQXEVSA-N 2 0 267.417 1.365 10 0 CDAERP C[NH2+]C1(CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)CCC1 ZINC000630002514 364410706 /nfs/dbraw/zinc/41/07/06/364410706.db2.gz YYJYXOJSOMAXIR-ZDUSSCGKSA-N 2 0 267.417 1.509 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](C)C1 ZINC000469705423 364785310 /nfs/dbraw/zinc/78/53/10/364785310.db2.gz KPVHGSZZCZVHJZ-VGWMRTNUSA-N 2 0 295.471 1.905 10 0 CDAERP O=C(CC[C@@H]1CC[NH2+]C1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000361969137 364988036 /nfs/dbraw/zinc/98/80/36/364988036.db2.gz WIGIDUBMZIKQKC-KFWWJZLASA-N 2 0 279.428 1.367 10 0 CDAERP CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353404731 364978121 /nfs/dbraw/zinc/97/81/21/364978121.db2.gz PTIKMRZUZLVAQW-YJNKXOJESA-N 2 0 281.444 1.754 10 0 CDAERP COc1ccc(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)cc1OC ZINC000400393478 366953416 /nfs/dbraw/zinc/95/34/16/366953416.db2.gz JKGBKPRCMNMDSH-DGCLKSJQSA-N 2 0 264.369 1.791 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000414689900 241324165 /nfs/dbraw/zinc/32/41/65/241324165.db2.gz LZXGFGTZFRBQOL-GJZGRUSLSA-N 2 0 253.434 1.920 10 0 CDAERP Cc1cccc(NC(=O)[C@H]2CCC[N@H+](CCC[NH3+])C2)n1 ZINC000414703701 241338568 /nfs/dbraw/zinc/33/85/68/241338568.db2.gz LURDENJRILKKQZ-ZDUSSCGKSA-N 2 0 276.384 1.389 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(C(=O)N[C@H]2CCC[N@H+](CC)C2)C1 ZINC000174234212 367053782 /nfs/dbraw/zinc/05/37/82/367053782.db2.gz QMVYINRMFFVBRV-GJZGRUSLSA-N 2 0 296.459 1.596 10 0 CDAERP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)Cc1ccn(C(C)C)n1 ZINC000414799450 241393799 /nfs/dbraw/zinc/39/37/99/241393799.db2.gz RIJNZGSHWAMFSU-TZMCWYRMSA-N 2 0 252.406 1.968 10 0 CDAERP C[C@]1(C[NH3+])CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000261673525 291379210 /nfs/dbraw/zinc/37/92/10/291379210.db2.gz AGYPCDOXBWKBMG-PWNZVWSESA-N 2 0 265.401 1.104 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627129899 367505617 /nfs/dbraw/zinc/50/56/17/367505617.db2.gz YMIONCLUSIVRGY-ZDUSSCGKSA-N 2 0 282.432 1.254 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000627158802 367586848 /nfs/dbraw/zinc/58/68/48/367586848.db2.gz DYKKYBQQRVDBTA-QLFBSQMISA-N 2 0 294.443 1.158 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000233481451 367593173 /nfs/dbraw/zinc/59/31/73/367593173.db2.gz SFGQTULMDIEJHB-STQMWFEESA-N 2 0 267.417 1.365 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000417210913 242358807 /nfs/dbraw/zinc/35/88/07/242358807.db2.gz FJUITDSGQBAKNL-CXTNEJHOSA-N 2 0 284.448 1.532 10 0 CDAERP COC[C@H](Cc1ccccc1)[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000358389391 367652205 /nfs/dbraw/zinc/65/22/05/367652205.db2.gz DDEULMQVULZCMT-BPUTZDHNSA-N 2 0 262.397 1.784 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000417236126 242373791 /nfs/dbraw/zinc/37/37/91/242373791.db2.gz DONMSNNAXBQLQS-KFWWJZLASA-N 2 0 294.443 1.112 10 0 CDAERP C[C@H]1CC[C@H](NC(=O)N2CC[NH+](C3CCC3)CC2)C[NH2+]1 ZINC000627198938 367689467 /nfs/dbraw/zinc/68/94/67/367689467.db2.gz PETVUBXBWTZGNZ-STQMWFEESA-N 2 0 280.416 1.007 10 0 CDAERP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)C[C@@H]1C ZINC000627203420 367697265 /nfs/dbraw/zinc/69/72/65/367697265.db2.gz WLYZKWMAYCJIHQ-ZOBORPQBSA-N 2 0 282.432 1.251 10 0 CDAERP C[C@H]1CC[C@H](NC(=O)N2CCCC23CC[NH+](C)CC3)C[NH2+]1 ZINC000627203112 367699640 /nfs/dbraw/zinc/69/96/40/367699640.db2.gz UXHWEPBSXVDBGF-KBPBESRZSA-N 2 0 294.443 1.397 10 0 CDAERP CCC[NH+]1CCC(NC(=O)C2=CC[C@@H]([NH3+])C2)CC1 ZINC000638053438 367855424 /nfs/dbraw/zinc/85/54/24/367855424.db2.gz APQDKTZGGZZDJM-GFCCVEGCSA-N 2 0 251.374 1.025 10 0 CDAERP [NH3+][C@H](CNC(=O)NCCC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000418455445 243100215 /nfs/dbraw/zinc/10/02/15/243100215.db2.gz RSIQFQKJHDXOOG-HUUCEWRRSA-N 2 0 290.411 1.518 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000418466409 243112246 /nfs/dbraw/zinc/11/22/46/243112246.db2.gz RIISNCYZVGVXIG-CQDKDKBSSA-N 2 0 290.411 1.775 10 0 CDAERP C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CC1=O ZINC000539261861 368411203 /nfs/dbraw/zinc/41/12/03/368411203.db2.gz YCHHRJDGAGNFCY-KCXAZCMYSA-N 2 0 291.439 1.460 10 0 CDAERP CCC[NH2+]CCNC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000418479613 243128613 /nfs/dbraw/zinc/12/86/13/243128613.db2.gz ZCJMFVNDPXVKMY-UONOGXRCSA-N 2 0 284.448 1.358 10 0 CDAERP C[C@@H]([NH2+]CCN1CCSCC1)[C@H]1CCC[NH2+]C1 ZINC000571193996 294386613 /nfs/dbraw/zinc/38/66/13/294386613.db2.gz DWOWBRSTBPULSZ-OLZOCXBDSA-N 2 0 257.447 1.013 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000418719474 243373617 /nfs/dbraw/zinc/37/36/17/243373617.db2.gz JEIGSGCASQNZNE-NEPJUHHUSA-N 2 0 270.421 1.238 10 0 CDAERP CN(C/C=C\CN(C)Cc1cc[nH]n1)Cc1cc[nH]n1 ZINC000340194546 368567066 /nfs/dbraw/zinc/56/70/66/368567066.db2.gz MDKMAFNSQJAWLS-ARJAWSKDSA-N 2 0 274.372 1.253 10 0 CDAERP CC(C)[C@@H](C)NC(=O)C1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000420302031 244049874 /nfs/dbraw/zinc/04/98/74/244049874.db2.gz LUSONOKRGIZPBG-HUUCEWRRSA-N 2 0 295.471 1.859 10 0 CDAERP CC[N@H+](CCC1CCN(CC[NH3+])CC1)CC1CC1 ZINC000420369265 244158526 /nfs/dbraw/zinc/15/85/26/244158526.db2.gz IQACBIZVHIKNJK-UHFFFAOYSA-N 2 0 253.434 1.779 10 0 CDAERP [NH3+]Cc1cccc(-c2cn(C[C@@H]3CCC[NH2+]3)nn2)c1 ZINC000630604564 369377431 /nfs/dbraw/zinc/37/74/31/369377431.db2.gz BHOPMANXXACZFB-ZDUSSCGKSA-N 2 0 257.341 1.156 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCCC[NH+]2CCCC2)C1 ZINC000368269270 369416924 /nfs/dbraw/zinc/41/69/24/369416924.db2.gz HKWKBRWSXILPOO-INIZCTEOSA-N 2 0 299.434 1.801 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](C3CCC3)CC2)C1 ZINC000567365827 370969749 /nfs/dbraw/zinc/96/97/49/370969749.db2.gz MOOIUTIZQXIBTL-CYBMUJFWSA-N 2 0 279.428 1.461 10 0 CDAERP C[C@@H](C[NH+]1CCC(CC[NH+](C)C)CC1)CS(C)(=O)=O ZINC000119272507 370031832 /nfs/dbraw/zinc/03/18/32/370031832.db2.gz HQRCTCNAJGZYIQ-ZDUSSCGKSA-N 2 0 290.473 1.331 10 0 CDAERP Nc1cc(CN2CCc3ccccc3[C@@H]2C[NH3+])ccn1 ZINC000564988879 370318631 /nfs/dbraw/zinc/31/86/31/370318631.db2.gz PJAVIQCUVPCIID-HNNXBMFYSA-N 2 0 268.364 1.552 10 0 CDAERP CC[NH+](CC)CCC[N@@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000372804609 370528613 /nfs/dbraw/zinc/52/86/13/370528613.db2.gz FMVPNVUEDLXIHM-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000414935927 370603462 /nfs/dbraw/zinc/60/34/62/370603462.db2.gz BCFAQGDPKIEISP-ZFWWWQNUSA-N 2 0 274.412 1.769 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000422721459 245178534 /nfs/dbraw/zinc/17/85/34/245178534.db2.gz VMGMRYURMJDQAF-UONOGXRCSA-N 2 0 291.395 1.135 10 0 CDAERP C(C1CC1)[NH+]1CCC(N[C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000422700452 245158654 /nfs/dbraw/zinc/15/86/54/245158654.db2.gz BWPYGJNOXIXANM-IRXDYDNUSA-N 2 0 293.455 1.217 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000305680765 371202791 /nfs/dbraw/zinc/20/27/91/371202791.db2.gz NOCQPEYUKUSIRF-BRWVUGGUSA-N 2 0 295.471 1.392 10 0 CDAERP O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N1CC[NH+]2CCC1CC2 ZINC000376572951 371276204 /nfs/dbraw/zinc/27/62/04/371276204.db2.gz IDMXAYVSQKERAK-ZFWWWQNUSA-N 2 0 292.427 1.103 10 0 CDAERP CC[C@@H](Cn1cncn1)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000340507913 371354410 /nfs/dbraw/zinc/35/44/10/371354410.db2.gz HBLRPWKGZINSRY-AWEZNQCLSA-N 2 0 279.432 1.768 10 0 CDAERP CCOCC[N@@H+]1CCN(CC[C@@H]2CCC[NH+]2C)C[C@H]1CC ZINC000123357921 371400889 /nfs/dbraw/zinc/40/08/89/371400889.db2.gz RWLZMFOJYNZHOE-SJORKVTESA-N 2 0 297.487 1.903 10 0 CDAERP CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000573689679 371625364 /nfs/dbraw/zinc/62/53/64/371625364.db2.gz NXOYWDGVOGMCGP-INIZCTEOSA-N 2 0 287.407 1.433 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCC[NH+]2C)C1 ZINC000171191985 371718545 /nfs/dbraw/zinc/71/85/45/371718545.db2.gz RJWBLNMPYDTQST-KGLIPLIRSA-N 2 0 282.432 1.112 10 0 CDAERP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000575116100 371744263 /nfs/dbraw/zinc/74/42/63/371744263.db2.gz IQEKCFNDPNOIBN-KFWWJZLASA-N 2 0 293.455 1.707 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2[NH+](C)CCCC2(C)C)C1 ZINC000578025589 372230812 /nfs/dbraw/zinc/23/08/12/372230812.db2.gz XTJVQSBFIDILTB-UONOGXRCSA-N 2 0 281.444 1.565 10 0 CDAERP O=C(CC[C@@H]1CC[NH2+]C1)NC1CC([NH+]2CCCCC2)C1 ZINC000578130808 372302844 /nfs/dbraw/zinc/30/28/44/372302844.db2.gz GRKZFBQHDUVZOP-WLYUNCDWSA-N 2 0 279.428 1.509 10 0 CDAERP C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)C1=CC[N@H+](C)CC1 ZINC000514668816 372723894 /nfs/dbraw/zinc/72/38/94/372723894.db2.gz NSKDXZYKOFXSRC-WCBMZHEXSA-N 2 0 252.280 1.150 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC(C[NH3+])CC1 ZINC000333157103 205076446 /nfs/dbraw/zinc/07/64/46/205076446.db2.gz FWFNQJLOQGUVOQ-OAHLLOKOSA-N 2 0 296.459 1.487 10 0 CDAERP CCn1ccnc1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000581199257 372875400 /nfs/dbraw/zinc/87/54/00/372875400.db2.gz GQWUWWOKJJSCBG-RYUDHWBXSA-N 2 0 264.373 1.250 10 0 CDAERP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CCC[NH3+] ZINC000423197144 245655432 /nfs/dbraw/zinc/65/54/32/245655432.db2.gz YCFBBCLRCVMSTQ-JTQLQIEISA-N 2 0 265.357 1.653 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000333452670 205333324 /nfs/dbraw/zinc/33/33/24/205333324.db2.gz XTJQOTNWVRONIT-HUUCEWRRSA-N 2 0 296.459 1.630 10 0 CDAERP C[C@@H]1C[C@@]2(C[NH+]=C(N)N2C)C[N@@H+]1Cc1ccccc1 ZINC000307603368 373058403 /nfs/dbraw/zinc/05/84/03/373058403.db2.gz ZRIKOOVKWPKNND-IUODEOHRSA-N 2 0 258.369 1.280 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCN(c2ncccc2F)C1 ZINC000643461820 373117072 /nfs/dbraw/zinc/11/70/72/373117072.db2.gz HJGMAPYHONBSFX-QWHCGFSZSA-N 2 0 296.390 1.143 10 0 CDAERP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000333637186 205535003 /nfs/dbraw/zinc/53/50/03/205535003.db2.gz TZGQTBDDDHPXFN-DRPJVOAASA-N 2 0 287.407 1.246 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)N(C)[C@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1C ZINC000341200960 373470874 /nfs/dbraw/zinc/47/08/74/373470874.db2.gz LMIJIKORYAYRBJ-IPYPFGDCSA-N 2 0 294.443 1.347 10 0 CDAERP COc1cccc(NC(=O)CN2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000631843280 373892467 /nfs/dbraw/zinc/89/24/67/373892467.db2.gz LRLWSRMHMFEJMJ-VXGBXAGGSA-N 2 0 277.368 1.160 10 0 CDAERP C[C@H](C[C@H]1COCC[NH2+]1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000643469283 374010542 /nfs/dbraw/zinc/01/05/42/374010542.db2.gz HCJSNCYAXYGSCG-OLZOCXBDSA-N 2 0 287.367 1.446 10 0 CDAERP CC(C)[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000037826013 374037089 /nfs/dbraw/zinc/03/70/89/374037089.db2.gz LPBTZBOVPWSWRV-HNNXBMFYSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000418543798 374406143 /nfs/dbraw/zinc/40/61/43/374406143.db2.gz HALGEGSNELFXBS-UMVBOHGHSA-N 2 0 296.459 1.356 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000418568888 374412073 /nfs/dbraw/zinc/41/20/73/374412073.db2.gz HNEQUMRAKSLRGL-FMKPAKJESA-N 2 0 294.443 1.112 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000418581813 374415842 /nfs/dbraw/zinc/41/58/42/374415842.db2.gz VAWSMWPQZNQCFK-RBSFLKMASA-N 2 0 294.443 1.254 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000418581810 374416411 /nfs/dbraw/zinc/41/64/11/374416411.db2.gz VAWSMWPQZNQCFK-ILXRZTDVSA-N 2 0 294.443 1.254 10 0 CDAERP C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000342823176 374608330 /nfs/dbraw/zinc/60/83/30/374608330.db2.gz VLISVRTVLDIYLR-ZFWWWQNUSA-N 2 0 292.427 1.062 10 0 CDAERP [NH3+]C1CC[NH+](Cc2cc(-n3ccnc3)cs2)CC1 ZINC000334316373 374884904 /nfs/dbraw/zinc/88/49/04/374884904.db2.gz SLBGBVKMXOFOSZ-UHFFFAOYSA-N 2 0 262.382 1.857 10 0 CDAERP C[C@@H]1CN(Cc2ccc(-n3ccnc3)cc2)CC(=O)N1C ZINC000334380395 375142126 /nfs/dbraw/zinc/14/21/26/375142126.db2.gz IQBBCJISRZZTLJ-CYBMUJFWSA-N 2 0 284.363 1.535 10 0 CDAERP C[N@H+]1C[C@H]2CN([C@@H](C(=O)NC3CC3)c3ccccc3)C[C@H]2C1 ZINC000193656173 375888543 /nfs/dbraw/zinc/88/85/43/375888543.db2.gz LEGMCTYETVJGPJ-HLLBOEOZSA-N 2 0 299.418 1.500 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC[C@H](O)C(F)F)CC1(C)C ZINC000631215252 376014462 /nfs/dbraw/zinc/01/44/62/376014462.db2.gz OROGEEOZJREDKH-UWVGGRQHSA-N 2 0 250.333 1.465 10 0 CDAERP CCOC(=O)CC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420392091 376346343 /nfs/dbraw/zinc/34/63/43/376346343.db2.gz IYCSHBUJRGLRMB-STQMWFEESA-N 2 0 254.374 1.404 10 0 CDAERP CC[NH+](CC)CC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371232630 284571684 /nfs/dbraw/zinc/57/16/84/284571684.db2.gz TYTGUGZMWXPILK-KBPBESRZSA-N 2 0 267.417 1.319 10 0 CDAERP Cc1cc(C)c(CNC(=O)C[N@H+]2CC[C@H](C)C2)cn1 ZINC000574651902 295035148 /nfs/dbraw/zinc/03/51/48/295035148.db2.gz VWUZLFORZKWJMN-NSHDSACASA-N 2 0 261.369 1.656 10 0 CDAERP C[NH2+]CCC1CC[NH+](C[C@@H]2CCc3ncnn32)CC1 ZINC000631823273 376647257 /nfs/dbraw/zinc/64/72/57/376647257.db2.gz AGMUFLWHBQMWLG-ZDUSSCGKSA-N 2 0 263.389 1.087 10 0 CDAERP CCCCNC(=O)CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246480551 376877752 /nfs/dbraw/zinc/87/77/52/376877752.db2.gz ADEDXTVOWOWAIL-STQMWFEESA-N 2 0 255.406 1.317 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)NC(C)(C)C[NH3+])CC1 ZINC000417397982 376921520 /nfs/dbraw/zinc/92/15/20/376921520.db2.gz XWHNGVVSGIIKDS-UHFFFAOYSA-N 2 0 270.421 1.145 10 0 CDAERP CCOCC[N@@H+]1CCN(CC[C@H]2CCC[NH+]2C)C[C@H]1CC ZINC000248081239 377198938 /nfs/dbraw/zinc/19/89/38/377198938.db2.gz RWLZMFOJYNZHOE-IAGOWNOFSA-N 2 0 297.487 1.903 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000334650478 377211557 /nfs/dbraw/zinc/21/15/57/377211557.db2.gz CCEJNQBDFSHFIN-GFCCVEGCSA-N 2 0 289.370 1.220 10 0 CDAERP C[C@]1(CNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)CCC[NH2+]C1 ZINC000334939507 377716067 /nfs/dbraw/zinc/71/60/67/377716067.db2.gz HCIOXQPIJUWADH-ZBFHGGJFSA-N 2 0 292.427 1.032 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)CC[N@@H+]1C ZINC000632768224 377839584 /nfs/dbraw/zinc/83/95/84/377839584.db2.gz SRKYGSJINLSGIU-HRCADAONSA-N 2 0 293.455 1.850 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000193315700 378273841 /nfs/dbraw/zinc/27/38/41/378273841.db2.gz XCLLGXYYOISCGK-CQSZACIVSA-N 2 0 297.443 1.265 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)CC[N@@H+]1C ZINC000633634571 378621860 /nfs/dbraw/zinc/62/18/60/378621860.db2.gz AUKNPMZHCIJRRT-HRCADAONSA-N 2 0 295.471 1.953 10 0 CDAERP C(C[C@H]1CCO1)C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000639138858 378809765 /nfs/dbraw/zinc/80/97/65/378809765.db2.gz HEMYSBJTTGNZNI-CVEARBPZSA-N 2 0 282.428 1.600 10 0 CDAERP COCCC[NH+]1CCC(N[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000343927133 379019766 /nfs/dbraw/zinc/01/97/66/379019766.db2.gz VINQXYQFXPNHJI-HIFRSBDPSA-N 2 0 269.433 1.027 10 0 CDAERP CO[C@H](CN1CCC[C@@H]([NH2+]C(C)C)C1)[C@@H]1CCOC1 ZINC000660068343 412903561 /nfs/dbraw/zinc/90/35/61/412903561.db2.gz DXOKBUFONFZIQO-RBSFLKMASA-N 2 0 270.417 1.500 10 0 CDAERP CO[C@H](CN1CCC[C@H]([NH2+]C(C)C)C1)[C@@H]1CCOC1 ZINC000660068342 412904014 /nfs/dbraw/zinc/90/40/14/412904014.db2.gz DXOKBUFONFZIQO-QLFBSQMISA-N 2 0 270.417 1.500 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001662537458 1172556811 /nfs/dbraw/zinc/55/68/11/1172556811.db2.gz BYOZLAUOKRMYLI-AWEZNQCLSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)[C@H]([NH2+]CCOCC[NH+](C)C)c1cccnc1 ZINC000447590909 250391949 /nfs/dbraw/zinc/39/19/49/250391949.db2.gz GEDYFPHKKXFHAK-HNNXBMFYSA-N 2 0 265.401 1.947 10 0 CDAERP CCc1noc([C@@H]2CC[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])C2)n1 ZINC000925872441 781968831 /nfs/dbraw/zinc/96/88/31/781968831.db2.gz FZHFSIMVGYBAOQ-KKOKHZNYSA-N 2 0 266.389 1.984 10 0 CDAERP [NH3+]C1(c2noc([C@H](F)[C@H]3CC[NH2+]C3)n2)CCCC1 ZINC000634555530 379666971 /nfs/dbraw/zinc/66/69/71/379666971.db2.gz MNKCBCTWYNMLRC-DTWKUNHWSA-N 2 0 254.309 1.418 10 0 CDAERP COC[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657596617 412925355 /nfs/dbraw/zinc/92/53/55/412925355.db2.gz PACMKAOWGAMROB-CZUORRHYSA-N 2 0 278.396 1.378 10 0 CDAERP C[C@@H](C[NH+](C)C)NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000512408687 254111266 /nfs/dbraw/zinc/11/12/66/254111266.db2.gz AHWNHJKZUYWRBH-AVGNSLFASA-N 2 0 270.421 1.061 10 0 CDAERP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662427782 413007246 /nfs/dbraw/zinc/00/72/46/413007246.db2.gz KVKSBAYTBOYYMI-LBPRGKRZSA-N 2 0 267.417 1.480 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCNC(=O)[C@@H](CC)[NH+](C)C ZINC001663210230 1172656018 /nfs/dbraw/zinc/65/60/18/1172656018.db2.gz ZFYGFVLMROOZMV-CHWSQXEVSA-N 2 0 257.422 1.421 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(c2cccc(C(N)=[NH2+])n2)C1 ZINC000081621320 177832621 /nfs/dbraw/zinc/83/26/21/177832621.db2.gz GZMRDYWKEXDPCI-NSHDSACASA-N 2 0 261.373 1.286 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H](CO)C1CCCCC1 ZINC000423135888 285373231 /nfs/dbraw/zinc/37/32/31/285373231.db2.gz OMPCDEXVCXCRLY-CABCVRRESA-N 2 0 272.433 1.519 10 0 CDAERP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CC1(CF)CCOCC1 ZINC000449488330 390661408 /nfs/dbraw/zinc/66/14/08/390661408.db2.gz GESFKUJCMRVTRS-OCCSQVGLSA-N 2 0 270.392 1.825 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)[C@H](C)C1 ZINC000418619556 285389484 /nfs/dbraw/zinc/38/94/84/285389484.db2.gz PCSPGAXHUSNFBO-YJNKXOJESA-N 2 0 296.459 1.356 10 0 CDAERP O=C(c1ccc2c[nH+]cn2c1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000335426351 390850862 /nfs/dbraw/zinc/85/08/62/390850862.db2.gz UQMWJKDMKHOEQF-MRXNPFEDSA-N 2 0 284.363 1.550 10 0 CDAERP Cn1cnc(CCC[NH2+][C@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)n1 ZINC000647327640 390939994 /nfs/dbraw/zinc/93/99/94/390939994.db2.gz DCHIHXWKSWBDAA-RDBSUJKOSA-N 2 0 277.416 1.210 10 0 CDAERP [NH3+]C1(CC(=O)N[C@@H]2CC[NH2+]C23CCCC3)CCC1 ZINC000648205646 390951690 /nfs/dbraw/zinc/95/16/90/390951690.db2.gz KKGWNQXSNGOGQZ-LLVKDONJSA-N 2 0 251.374 1.049 10 0 CDAERP O=C(N[C@@H]1CC[NH2+]C12CCCC2)c1ccc2c(c1)C[NH2+]C2 ZINC000648210200 390952873 /nfs/dbraw/zinc/95/28/73/390952873.db2.gz MIHPCRZADRSUPS-OAHLLOKOSA-N 2 0 285.391 1.694 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C[C@]2(C)CC[NH2+]C2)C[C@H]1C ZINC000261998256 285397129 /nfs/dbraw/zinc/39/71/29/285397129.db2.gz LBUSHBAYCVQILE-QLFBSQMISA-N 2 0 253.434 1.791 10 0 CDAERP COc1ccc(OCC[NH2+][C@H](C)[C@H]2CC[NH2+]C2)cc1 ZINC000415093577 391017065 /nfs/dbraw/zinc/01/70/65/391017065.db2.gz VTSSSVMDPCYVID-OLZOCXBDSA-N 2 0 264.369 1.662 10 0 CDAERP C(C1CC[NH2+]CC1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647479723 390966894 /nfs/dbraw/zinc/96/68/94/390966894.db2.gz QZEYLWLQSLSBHY-LSDHHAIUSA-N 3 0 251.418 1.450 10 0 CDAERP Cn1cnc(CCNc2nc3ccc(F)cc3n2C)c1 ZINC000413379244 391004984 /nfs/dbraw/zinc/00/49/84/391004984.db2.gz GLPLGXDSMFALHI-UHFFFAOYSA-N 2 0 273.315 1.522 10 0 CDAERP CC[NH+]1CCC([NH2+]CCc2cnc(C3CC3)nc2)CC1 ZINC000341880362 535473733 /nfs/dbraw/zinc/47/37/33/535473733.db2.gz WDOKLTVZDXFKAY-UHFFFAOYSA-N 2 0 274.412 1.970 10 0 CDAERP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000417786855 391063501 /nfs/dbraw/zinc/06/35/01/391063501.db2.gz DGWGYODZHXMHEK-AVGNSLFASA-N 2 0 267.417 1.350 10 0 CDAERP C[C@@H]1[C@H](C)C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)[C@H]1C ZINC000419369021 391064960 /nfs/dbraw/zinc/06/49/60/391064960.db2.gz GUHVYWNZYBBMPV-MCIONIFRSA-N 2 0 293.455 1.706 10 0 CDAERP C[C@@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1)CN1CC[NH+](C)CC1 ZINC000527651541 391085780 /nfs/dbraw/zinc/08/57/80/391085780.db2.gz DNCKKMXOTWFQGS-OTRWWLKZSA-N 2 0 279.472 1.894 10 0 CDAERP C[NH+](C)Cc1cc(CNC(=O)C[C@H]2CCC[NH2+]2)ccc1F ZINC000168817726 391289358 /nfs/dbraw/zinc/28/93/58/391289358.db2.gz PNBGNGHXDJODFU-CQSZACIVSA-N 2 0 293.386 1.646 10 0 CDAERP C[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCC[NH2+]C1 ZINC000418308918 391293899 /nfs/dbraw/zinc/29/38/99/391293899.db2.gz HFVVTKFEYJIARX-YDHLFZDLSA-N 2 0 294.443 1.253 10 0 CDAERP [NH3+]CCCNC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000418313648 391301380 /nfs/dbraw/zinc/30/13/80/391301380.db2.gz QZICGPUMGGUBGJ-ZDUSSCGKSA-N 2 0 264.373 1.115 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000193305474 391335907 /nfs/dbraw/zinc/33/59/07/391335907.db2.gz UZRZYTIGRXSWCZ-OLZOCXBDSA-N 2 0 253.390 1.201 10 0 CDAERP O[C@@H](C[NH2+][C@@H]1CCCc2ccccc2C1)C[NH+]1CCCC1 ZINC000648433475 391319548 /nfs/dbraw/zinc/31/95/48/391319548.db2.gz XMXVTVAGIFOJDJ-MSOLQXFVSA-N 2 0 288.435 1.980 10 0 CDAERP CCC(CC)(C[NH3+])C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000648104712 391338966 /nfs/dbraw/zinc/33/89/66/391338966.db2.gz KESLQQUVASAJPA-KGLIPLIRSA-N 2 0 281.444 1.742 10 0 CDAERP Nc1nc(N2CC[C@H]3C[NH2+]C[C@H]3CC2)c2c([nH+]1)CCCC2 ZINC000647708453 391454609 /nfs/dbraw/zinc/45/46/09/391454609.db2.gz MVWBDGWHVODXJO-TXEJJXNPSA-N 2 0 287.411 1.204 10 0 CDAERP CC(C)[NH+](CCCNC(=O)NCCC[NH3+])C(C)C ZINC000417804138 391480089 /nfs/dbraw/zinc/48/00/89/391480089.db2.gz XIAOYEZQHMQCJL-UHFFFAOYSA-N 2 0 258.410 1.143 10 0 CDAERP C[C@@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2)C[C@@]1(C)C[NH3+] ZINC000417831067 391499410 /nfs/dbraw/zinc/49/94/10/391499410.db2.gz HPFIVZMWGVVCMO-UXIGCNINSA-N 2 0 261.369 1.130 10 0 CDAERP C[C@H](CC[NH3+])NC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000417534060 391640716 /nfs/dbraw/zinc/64/07/16/391640716.db2.gz NSXMUUMZXMYGDY-AGIUHOORSA-N 2 0 270.421 1.286 10 0 CDAERP CCC[C@@H](C(=O)N1CC[C@H]([NH+]2CCCC2)C1)[NH+](C)C ZINC000161963169 391609660 /nfs/dbraw/zinc/60/96/60/391609660.db2.gz WMNQFANLBSWODB-KBPBESRZSA-N 2 0 267.417 1.413 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000417612591 391700926 /nfs/dbraw/zinc/70/09/26/391700926.db2.gz RGSRLXFYJGZRCR-UONOGXRCSA-N 2 0 282.432 1.112 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000417940083 391737228 /nfs/dbraw/zinc/73/72/28/391737228.db2.gz LDVDJBCDNKBYGZ-JURCDPSOSA-N 2 0 290.411 1.467 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000418202753 391804662 /nfs/dbraw/zinc/80/46/62/391804662.db2.gz UNZWOBYMJJZBGF-AVGNSLFASA-N 2 0 270.421 1.012 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CC[C@@H](C)C1 ZINC000525803901 391933561 /nfs/dbraw/zinc/93/35/61/391933561.db2.gz ZUFGINWQKSCNBY-KGLIPLIRSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@@H](CNC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)[NH+](C)C ZINC000454473947 391948644 /nfs/dbraw/zinc/94/86/44/391948644.db2.gz CWWBGWHDGITDOF-MJBXVCDLSA-N 2 0 284.448 1.499 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000525999151 392032406 /nfs/dbraw/zinc/03/24/06/392032406.db2.gz SWUUWHHLJLZFJJ-UHFFFAOYSA-N 2 0 296.459 1.596 10 0 CDAERP CC(C)[C@@H](O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000336788176 392062645 /nfs/dbraw/zinc/06/26/45/392062645.db2.gz OLGRLMLYBWYAQV-CABCVRRESA-N 2 0 254.418 1.954 10 0 CDAERP CO[C@H](CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)C(F)(F)F ZINC000423065028 392310492 /nfs/dbraw/zinc/31/04/92/392310492.db2.gz ATNXTYBOCBSUTB-IVZWLZJFSA-N 2 0 254.296 1.684 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000423070615 392314942 /nfs/dbraw/zinc/31/49/42/392314942.db2.gz GKWMEMGYUGNNQC-CQSZACIVSA-N 2 0 271.449 1.452 10 0 CDAERP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)C1CCOCC1 ZINC000151348878 392271368 /nfs/dbraw/zinc/27/13/68/392271368.db2.gz WQCIWCRHPMHIDQ-HIFRSBDPSA-N 2 0 270.417 1.238 10 0 CDAERP CC1=CCN(CC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000423030681 392286674 /nfs/dbraw/zinc/28/66/74/392286674.db2.gz CGNPNLXLRHEAKL-HUUCEWRRSA-N 2 0 251.418 1.746 10 0 CDAERP C[C@H]([NH2+]CCCNc1ccccc1F)C1C[NH2+]C1 ZINC000423035907 392291464 /nfs/dbraw/zinc/29/14/64/392291464.db2.gz SJOQVVAVTMIKLT-NSHDSACASA-N 2 0 251.349 1.825 10 0 CDAERP [NH3+]CC12CCC(CC1)CN2C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000568150246 392373910 /nfs/dbraw/zinc/37/39/10/392373910.db2.gz AFOQDOBFGTWHJO-UHFFFAOYSA-N 2 0 285.391 1.633 10 0 CDAERP CC[C@H]([NH2+]CC1(CF)CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000423156706 392395393 /nfs/dbraw/zinc/39/53/93/392395393.db2.gz TYPATCJWQKFNQT-STQMWFEESA-N 2 0 258.381 1.873 10 0 CDAERP CC[C@@H](Cn1cncn1)[NH2+]CC1([NH3+])CCCCCC1 ZINC000423198452 392436716 /nfs/dbraw/zinc/43/67/16/392436716.db2.gz FXLJKSSWCDJHAM-ZDUSSCGKSA-N 2 0 265.405 1.698 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC[C@@H]([NH3+])c1ccccc1 ZINC000423241898 392464870 /nfs/dbraw/zinc/46/48/70/392464870.db2.gz LSNZCPZEMDHGPW-DAXOMENPSA-N 2 0 259.397 1.759 10 0 CDAERP [NH3+]C[C@@H]1CCCN(C(=O)[C@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000646649430 392614965 /nfs/dbraw/zinc/61/49/65/392614965.db2.gz FGMACXYAMUTSCT-MELADBBJSA-N 2 0 267.417 1.481 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH+]2CCC(C)CC2)C1 ZINC000646592363 392583850 /nfs/dbraw/zinc/58/38/50/392583850.db2.gz MYYKOOBNLJZGIP-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP C[C@H](Cc1ccoc1)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000449127819 392661280 /nfs/dbraw/zinc/66/12/80/392661280.db2.gz XVVJTAUFNJGBFS-ZIAGYGMSSA-N 2 0 265.401 1.436 10 0 CDAERP C[C@H](Cc1ccoc1)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000449252002 392732109 /nfs/dbraw/zinc/73/21/09/392732109.db2.gz TZQJXCGVDXLVDK-LSDHHAIUSA-N 2 0 279.428 1.826 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000517392405 392884849 /nfs/dbraw/zinc/88/48/49/392884849.db2.gz ZFEYBPQRWLDJSK-CABCVRRESA-N 2 0 281.444 1.661 10 0 CDAERP C[C@@H]([NH2+]CCC(=O)NC(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC000521225882 392945543 /nfs/dbraw/zinc/94/55/43/392945543.db2.gz FPKWRDWIJRMAAT-VXGBXAGGSA-N 2 0 255.406 1.269 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCO)[C@H](C)C1 ZINC000450777077 392952283 /nfs/dbraw/zinc/95/22/83/392952283.db2.gz IPKGGVHNMXHDMR-CVEARBPZSA-N 2 0 283.460 1.248 10 0 CDAERP COc1nccnc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459728900 393328747 /nfs/dbraw/zinc/32/87/47/393328747.db2.gz CVLXBERNFMROHR-GFCCVEGCSA-N 2 0 264.373 1.307 10 0 CDAERP CC(C)[NH+](CCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])C(C)C ZINC000089448674 139674219 /nfs/dbraw/zinc/67/42/19/139674219.db2.gz WTSJTWVCVHWQBY-ZIAGYGMSSA-N 2 0 269.433 1.596 10 0 CDAERP COCCN1CCC[C@@H]1C[NH2+][C@@H](C)c1cn(C)nc1C ZINC000178561539 140005994 /nfs/dbraw/zinc/00/59/94/140005994.db2.gz WKABRLSDZPZTFS-GXTWGEPZSA-N 2 0 280.416 1.490 10 0 CDAERP Cc1cccnc1C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000180477888 140016661 /nfs/dbraw/zinc/01/66/61/140016661.db2.gz YOKHJHHKNLUOLP-OAHLLOKOSA-N 2 0 291.439 1.915 10 0 CDAERP CC[N@H+](C)[C@H](C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)c1ccccc1 ZINC000250093582 140302602 /nfs/dbraw/zinc/30/26/02/140302602.db2.gz QKNZRRMZJQAFLS-BMFZPTHFSA-N 2 0 289.423 1.794 10 0 CDAERP Cc1ccn(C2CC[NH+](CC3CC[NH2+]CC3)CC2)n1 ZINC000261775015 140387925 /nfs/dbraw/zinc/38/79/25/140387925.db2.gz NJGXMZDJIQWHBV-UHFFFAOYSA-N 2 0 262.401 1.828 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCC[N@H+](C)C(C)C ZINC000101983425 147144145 /nfs/dbraw/zinc/14/41/45/147144145.db2.gz DYBJEOIMWFIKKA-AWEZNQCLSA-N 2 0 286.464 1.602 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])N1C[C@@H](C)O[C@@H](C)C1 ZINC000656200221 413097171 /nfs/dbraw/zinc/09/71/71/413097171.db2.gz IHRQOCHDBXJPFB-RBGFHDKUSA-N 2 0 283.460 1.734 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000656270094 413143615 /nfs/dbraw/zinc/14/36/15/413143615.db2.gz YGLCLUWZCPBBHQ-KDYLLFBJSA-N 3 0 288.439 1.980 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc3c(c2)NC(=O)CO3)C1 ZINC000656269396 413144111 /nfs/dbraw/zinc/14/41/11/413144111.db2.gz PXOKWDCDZBXXGQ-BETUJISGSA-N 2 0 289.379 1.447 10 0 CDAERP C[C@@H](Cn1cncn1)[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000658041950 413150025 /nfs/dbraw/zinc/15/00/25/413150025.db2.gz MNVUMIZBGAUTRH-UAGQMJEPSA-N 2 0 299.422 1.602 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)N[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000664215999 413150542 /nfs/dbraw/zinc/15/05/42/413150542.db2.gz FAFDCSHJARPYKW-KGLIPLIRSA-N 2 0 298.475 1.889 10 0 CDAERP C[NH+](C)CCOc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2O)cc1 ZINC000651620402 398124803 /nfs/dbraw/zinc/12/48/03/398124803.db2.gz QXRPQBCOAZNNJI-WBVHZDCISA-N 2 0 292.423 1.878 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662619336 413200708 /nfs/dbraw/zinc/20/07/08/413200708.db2.gz KHKBEWCXKAKNNO-NWDGAFQWSA-N 2 0 255.406 1.349 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000658105877 413203907 /nfs/dbraw/zinc/20/39/07/413203907.db2.gz FFJHGCIRQGQPSK-SOUVJXGZSA-N 2 0 271.449 1.273 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000094460160 147087959 /nfs/dbraw/zinc/08/79/59/147087959.db2.gz RPTDAADFDFWCBG-UMVBOHGHSA-N 2 0 265.401 1.071 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000658105765 413204927 /nfs/dbraw/zinc/20/49/27/413204927.db2.gz DGSNAQQRECTPDU-YQQAZPJKSA-N 2 0 296.503 1.331 10 0 CDAERP CC(C)[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000105915275 147240131 /nfs/dbraw/zinc/24/01/31/147240131.db2.gz MXBOGLYGBUCIOM-OAHLLOKOSA-N 2 0 269.433 1.122 10 0 CDAERP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)[C@H]1CCCOC1 ZINC000658106415 413207948 /nfs/dbraw/zinc/20/79/48/413207948.db2.gz HNUDOCGMSOEHMW-XHSDSOJGSA-N 2 0 285.476 1.663 10 0 CDAERP COCCCC[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000117880185 147292436 /nfs/dbraw/zinc/29/24/36/147292436.db2.gz SAGXZFCNXDLPFT-AWEZNQCLSA-N 2 0 272.433 1.438 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1C[C@@H](C)[C@H]1C ZINC000658106251 413207303 /nfs/dbraw/zinc/20/73/03/413207303.db2.gz HCAQPTIZFVKSAV-BARDWOONSA-N 2 0 255.450 1.893 10 0 CDAERP [NH3+][C@H]1CC[C@@H](C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000178707409 148077978 /nfs/dbraw/zinc/07/79/78/148077978.db2.gz IZRLOQHWSSQKOZ-OLZOCXBDSA-N 2 0 265.401 1.104 10 0 CDAERP C[C@]1(C(=O)NC2CC[NH+](CC3CC3)CC2)CCCC[NH2+]1 ZINC000180989719 148172625 /nfs/dbraw/zinc/17/26/25/148172625.db2.gz XAQGSBZRLKNTSF-MRXNPFEDSA-N 2 0 279.428 1.509 10 0 CDAERP C([NH2+][C@H]1CCC[C@H]1[C@H]1COCCN1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262016102 149000827 /nfs/dbraw/zinc/00/08/27/149000827.db2.gz VZLNTPLNFRCOJW-PQEBFOHHSA-N 2 0 293.455 1.217 10 0 CDAERP CC(C)(C)c1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC000263222644 149123820 /nfs/dbraw/zinc/12/38/20/149123820.db2.gz MEYPAIAKRYBPKU-UKRRQHHQSA-N 2 0 262.397 1.654 10 0 CDAERP C[C@H]1C[C@H](NCc2ccc3c[nH+]cn3c2)CC[N@@H+]1C ZINC000334865387 150007875 /nfs/dbraw/zinc/00/78/75/150007875.db2.gz ANQHGARNZIIWTP-GXTWGEPZSA-N 2 0 258.369 1.907 10 0 CDAERP [NH3+][C@@H]1CC[C@@H](C(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC000335012148 150184584 /nfs/dbraw/zinc/18/45/84/150184584.db2.gz YAUGTCXWKZTQDB-ZIAGYGMSSA-N 2 0 279.428 1.591 10 0 CDAERP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000335021019 150194452 /nfs/dbraw/zinc/19/44/52/150194452.db2.gz KBHTWKOLWBKJPM-KBPBESRZSA-N 2 0 279.428 1.639 10 0 CDAERP CO[C@]1(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CCOC1 ZINC000353689134 286174122 /nfs/dbraw/zinc/17/41/22/286174122.db2.gz PVVUYBFIHYEWGL-XGUBFFRZSA-N 2 0 268.401 1.254 10 0 CDAERP CCC1(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)CCOCC1 ZINC000335883914 151080515 /nfs/dbraw/zinc/08/05/15/151080515.db2.gz PJWFSLUHICICBU-ZIAGYGMSSA-N 2 0 252.402 1.877 10 0 CDAERP [NH3+][C@H]1CCCCCC[C@H]1C(=O)NCC1([NH3+])CCCC1 ZINC000662649801 413251357 /nfs/dbraw/zinc/25/13/57/413251357.db2.gz SKQRVTVPDAZYCL-OLZOCXBDSA-N 2 0 267.417 1.672 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](CCCC(=O)NC(N)=O)CC1 ZINC000343579634 152231847 /nfs/dbraw/zinc/23/18/47/152231847.db2.gz MCZJLMFIIYAMFE-UHFFFAOYSA-N 2 0 298.431 1.015 10 0 CDAERP O[C@H](CN1CCC[C@H](C(F)(F)F)C1)C[NH+]1CCCC1 ZINC000311722173 782002872 /nfs/dbraw/zinc/00/28/72/782002872.db2.gz PGZNERHEMPQIPA-RYUDHWBXSA-N 2 0 280.334 1.717 10 0 CDAERP O=C(NC1CC[NH+](CC2CC2)CC1)C1([NH2+]C2CC2)CCC1 ZINC000662681347 413302481 /nfs/dbraw/zinc/30/24/81/413302481.db2.gz FQHNFFZSDMAIRP-UHFFFAOYSA-N 2 0 291.439 1.652 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cncc(C)n2)[C@@H](C)C1 ZINC000658260804 413324428 /nfs/dbraw/zinc/32/44/28/413324428.db2.gz FLLAIURAEMJCQI-SWLSCSKDSA-N 2 0 262.401 1.647 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000662728060 413393879 /nfs/dbraw/zinc/39/38/79/413393879.db2.gz FOADCGZAQYITKS-UONOGXRCSA-N 2 0 269.433 1.741 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000654529151 413398089 /nfs/dbraw/zinc/39/80/89/413398089.db2.gz DTGFYQBLRXLSBA-RDBSUJKOSA-N 2 0 265.401 1.071 10 0 CDAERP O=C([C@@H]1CC[NH2+]C1)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000373041326 160167773 /nfs/dbraw/zinc/16/77/73/160167773.db2.gz ZZWHARZTWQSRKS-ZIAGYGMSSA-N 2 0 265.401 1.073 10 0 CDAERP CCN(C(=O)NCCC[NH+]1CCCC1)[C@H]1CC[N@H+](CC)C1 ZINC000656545669 413420462 /nfs/dbraw/zinc/42/04/62/413420462.db2.gz OYNARSFHKYWGKY-HNNXBMFYSA-N 2 0 296.459 1.598 10 0 CDAERP O=C(N1CCC([C@@H]2CCC[NH2+]2)CC1)C1([NH2+]C2CC2)CCC1 ZINC000662760711 413449483 /nfs/dbraw/zinc/44/94/83/413449483.db2.gz IWTWSVJBADZMLX-HNNXBMFYSA-N 2 0 291.439 1.652 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C3([NH2+]C4CC4)CCC3)C[C@@H]21 ZINC000662766909 413462495 /nfs/dbraw/zinc/46/24/95/413462495.db2.gz PUWRAZYHRYFMEO-FPMFFAJLSA-N 2 0 277.412 1.247 10 0 CDAERP C[N@@H+]1CCCN([C@@H](C[NH3+])c2cccc(F)c2)CC1 ZINC000020217666 171080563 /nfs/dbraw/zinc/08/05/63/171080563.db2.gz OXKGCYHNLUAUEP-AWEZNQCLSA-N 2 0 251.349 1.463 10 0 CDAERP CN1CC[NH+](CCCC(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000022151428 171358736 /nfs/dbraw/zinc/35/87/36/171358736.db2.gz DJESMZSGTUELMY-UHFFFAOYSA-N 2 0 290.411 1.111 10 0 CDAERP C[C@@H]1C[N@H+](CCC(=O)Nc2cccc(C[NH3+])c2)CCO1 ZINC000022152466 171359500 /nfs/dbraw/zinc/35/95/00/171359500.db2.gz CRQLXVOBUVJCBB-GFCCVEGCSA-N 2 0 277.368 1.195 10 0 CDAERP CC[NH+]1CCN([C@H](C[NH3+])c2ccc(F)c(F)c2)CC1 ZINC000022163273 171364536 /nfs/dbraw/zinc/36/45/36/171364536.db2.gz ZYHCENPRDJRYRD-CQSZACIVSA-N 2 0 269.339 1.602 10 0 CDAERP CN(CC(=O)Nc1ccccc1C[NH3+])C1CC[NH+](C)CC1 ZINC000022212415 171373856 /nfs/dbraw/zinc/37/38/56/171373856.db2.gz WSDQSCLXNLHTRW-UHFFFAOYSA-N 2 0 290.411 1.110 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@@H]([NH3+])CC(F)F ZINC000653214274 412142026 /nfs/dbraw/zinc/14/20/26/412142026.db2.gz NPNBRJYRZIUQBC-NSHDSACASA-N 2 0 271.311 1.005 10 0 CDAERP CC[C@]1(C(=O)NCCC[N@H+](C)CC(C)C)CCC[NH2+]1 ZINC000653176525 412116045 /nfs/dbraw/zinc/11/60/45/412116045.db2.gz XTMUUMLPEJDBQX-OAHLLOKOSA-N 2 0 269.433 1.613 10 0 CDAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC1(C[NH3+])CC1 ZINC000653221492 412148165 /nfs/dbraw/zinc/14/81/65/412148165.db2.gz ZEYFRXYDMQYLBQ-RYUDHWBXSA-N 2 0 253.390 1.104 10 0 CDAERP C[C@@H](CCNC(=O)N(C)CC1C[NH+](C)C1)[NH+]1CCCCC1 ZINC000664643597 413566935 /nfs/dbraw/zinc/56/69/35/413566935.db2.gz PRNVYUSQQHPGHK-AWEZNQCLSA-N 2 0 296.459 1.454 10 0 CDAERP CCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](CC=C(C)C)C1 ZINC001665730715 1173048947 /nfs/dbraw/zinc/04/89/47/1173048947.db2.gz FHHGNRFYLMQDFH-OAHLLOKOSA-N 2 0 281.444 1.827 10 0 CDAERP [NH3+]C1(CC(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000662876991 413642255 /nfs/dbraw/zinc/64/22/55/413642255.db2.gz FBWUUIRBVOYKJI-GFCCVEGCSA-N 2 0 265.401 1.391 10 0 CDAERP [NH3+][C@H](CCC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1ccccc1 ZINC000659388374 413773136 /nfs/dbraw/zinc/77/31/36/413773136.db2.gz DRJOXQPZODWWCS-MGPQQGTHSA-N 2 0 279.359 1.364 10 0 CDAERP Cc1cc(C)c(CNC(=O)NCC[C@@H]([NH3+])C(C)C)cn1 ZINC000659501312 413894576 /nfs/dbraw/zinc/89/45/76/413894576.db2.gz PTXNSOLNLOWAIQ-CQSZACIVSA-N 2 0 278.400 1.871 10 0 CDAERP C[C@@H](C[NH3+])CN1CC[NH+](CCc2ccccc2)CC1 ZINC000037049003 172916015 /nfs/dbraw/zinc/91/60/15/172916015.db2.gz NVWBAFRYMOZHBK-HNNXBMFYSA-N 2 0 261.413 1.442 10 0 CDAERP C[C@]1(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CC1(F)F ZINC000665267413 414000455 /nfs/dbraw/zinc/00/04/55/414000455.db2.gz WGOSVCNXEYKAGN-UMSGYPCISA-N 2 0 274.355 1.778 10 0 CDAERP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2NCC12CC(C1)C[NH2+]2 ZINC000665279695 414020783 /nfs/dbraw/zinc/02/07/83/414020783.db2.gz JXWDQFBCTCGDLC-NAIXVUCJSA-N 2 0 299.418 1.584 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCC2(C)C)CC1 ZINC000665289314 414025023 /nfs/dbraw/zinc/02/50/23/414025023.db2.gz LHPXFLJVCUMKCU-AWEZNQCLSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)[C@H]1CC1(C)C ZINC000665292850 414035789 /nfs/dbraw/zinc/03/57/89/414035789.db2.gz KUNKGEOXLOYKGT-PSASIEDQSA-N 2 0 250.346 1.165 10 0 CDAERP CC(C)[C@H](CN[C@H](C)[C@@H]1CCC[N@H+](C)C1)[NH+](C)C ZINC000037221308 173040199 /nfs/dbraw/zinc/04/01/99/173040199.db2.gz BPFGUOKQTUAEKO-KFWWJZLASA-N 2 0 255.450 1.893 10 0 CDAERP C[C@@H](C(=O)N(C)C)[N@H+](CCC[NH3+])C1CCCCCC1 ZINC000037299932 173105662 /nfs/dbraw/zinc/10/56/62/173105662.db2.gz WQILPSFRNZDBBR-ZDUSSCGKSA-N 2 0 269.433 1.837 10 0 CDAERP CC[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(C)CC2)CO1 ZINC000657308664 414148274 /nfs/dbraw/zinc/14/82/74/414148274.db2.gz WPJQUMYAKCGSLP-HUUCEWRRSA-N 2 0 269.433 1.171 10 0 CDAERP C[C@@H](Cn1cccn1)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657308164 414160673 /nfs/dbraw/zinc/16/06/73/414160673.db2.gz WJSAKGJZCVIQQY-ZDUSSCGKSA-N 2 0 282.351 1.642 10 0 CDAERP c1cc(C[NH2+]CCCn2ccnc2)n(-c2cc[nH+]cc2)n1 ZINC000657287304 414111112 /nfs/dbraw/zinc/11/11/12/414111112.db2.gz XTARCCSLZZCZTI-UHFFFAOYSA-N 2 0 282.351 1.644 10 0 CDAERP CO[C@H](C[NH+]1CCC(C[NH+](C)C)CC1)[C@@H]1CCOC1 ZINC000659843539 414170237 /nfs/dbraw/zinc/17/02/37/414170237.db2.gz BLTOPELUDLHFEZ-HUUCEWRRSA-N 2 0 270.417 1.312 10 0 CDAERP C[C@@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)C1CCCCC1 ZINC000663370250 414189932 /nfs/dbraw/zinc/18/99/32/414189932.db2.gz OBOKIVGGTVQYOP-DOTOQJQBSA-N 2 0 297.487 1.401 10 0 CDAERP CC(C)C[C@@H](CN(C)C)[NH2+]Cc1cnc2n1CCC2 ZINC000657346609 414190441 /nfs/dbraw/zinc/19/04/41/414190441.db2.gz KSNMPOVLNKIMRB-ZDUSSCGKSA-N 2 0 264.417 1.895 10 0 CDAERP C[NH+](C)CCCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657335896 414195493 /nfs/dbraw/zinc/19/54/93/414195493.db2.gz UKXQDXVWALWFNK-UHFFFAOYSA-N 3 0 273.384 1.699 10 0 CDAERP C[NH+]1CCC(CC[NH2+]Cc2cn(C3CCC3)nn2)CC1 ZINC000657348470 414209928 /nfs/dbraw/zinc/20/99/28/414209928.db2.gz XGQYHXCTNJLSNG-UHFFFAOYSA-N 2 0 277.416 1.825 10 0 CDAERP O[C@@]1(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CCCOC1 ZINC000659944582 414281320 /nfs/dbraw/zinc/28/13/20/414281320.db2.gz MSQRWDHWKANGMV-HZPDHXFCSA-N 2 0 282.428 1.478 10 0 CDAERP OC1(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)CCSCC1 ZINC000659947579 414289693 /nfs/dbraw/zinc/28/96/93/414289693.db2.gz MCILICHNACXNDF-CQSZACIVSA-N 2 0 284.469 1.662 10 0 CDAERP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000663498056 414297626 /nfs/dbraw/zinc/29/76/26/414297626.db2.gz JQHFIZMQEDOINU-OAHLLOKOSA-N 2 0 273.384 1.730 10 0 CDAERP C[C@@H]1C[C@@H]([NH3+])CCN1Cc1nc2c(s1)C[NH2+]CC2 ZINC000663498767 414298300 /nfs/dbraw/zinc/29/83/00/414298300.db2.gz UAFANEMAAACKPL-ZJUUUORDSA-N 2 0 266.414 1.100 10 0 CDAERP CC(C)[C@H]([NH3+])CC[NH2+]Cc1c[nH]nc1-c1cccnc1 ZINC000663498529 414299177 /nfs/dbraw/zinc/29/91/77/414299177.db2.gz PCENCEUAJXRWAL-CQSZACIVSA-N 2 0 273.384 1.935 10 0 CDAERP CCOc1cccc(C[NH2+]CCCC[NH3+])c1OC ZINC000037715426 173634252 /nfs/dbraw/zinc/63/42/52/173634252.db2.gz JXEPYISNDAUPIS-UHFFFAOYSA-N 2 0 252.358 1.922 10 0 CDAERP CO[C@@]1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCOC1 ZINC000657436890 414334686 /nfs/dbraw/zinc/33/46/86/414334686.db2.gz VAHAXMQVYYBBEA-OAHLLOKOSA-N 2 0 288.351 1.162 10 0 CDAERP c1c[nH]c(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)n1 ZINC000657535993 414421644 /nfs/dbraw/zinc/42/16/44/414421644.db2.gz WFJAMMDWEMZERB-UHFFFAOYSA-N 2 0 278.400 1.390 10 0 CDAERP C[N@H+](CCOc1ccccc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249040 414586197 /nfs/dbraw/zinc/58/61/97/414586197.db2.gz HEYVYKCSDCWETE-HNNXBMFYSA-N 2 0 276.380 1.518 10 0 CDAERP CCC[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C[C@@H]1CCCCO1 ZINC000662255755 414590229 /nfs/dbraw/zinc/59/02/29/414590229.db2.gz DDEMCDYREDUIFZ-LSDHHAIUSA-N 2 0 282.428 1.789 10 0 CDAERP CC(C)[C@H]1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCS1 ZINC000662259232 414595864 /nfs/dbraw/zinc/59/58/64/414595864.db2.gz SPZIJZMTWCTJND-CHWSQXEVSA-N 2 0 270.442 1.581 10 0 CDAERP Cn1cncc1CCC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000662277743 414608741 /nfs/dbraw/zinc/60/87/41/414608741.db2.gz WQLBHZJAXHXDHB-GOEBONIOSA-N 2 0 276.428 1.817 10 0 CDAERP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CCO[C@H]1CC1(F)F)C2 ZINC000662283714 414613082 /nfs/dbraw/zinc/61/30/82/414613082.db2.gz CSCNOYQEOXYSLR-SRVKXCTJSA-N 2 0 260.328 1.471 10 0 CDAERP CCN(C)C[C@H](O)C[N@H+](CCC1CC1)CC1CC1 ZINC000662177778 414554107 /nfs/dbraw/zinc/55/41/07/414554107.db2.gz OHXSAZYWMRIWMY-HNNXBMFYSA-N 2 0 254.418 1.811 10 0 CDAERP C(C[N@@H+]1CC[C@]2(C1)CCCOC2)[C@H]1CCC[NH2+]C1 ZINC000662314263 414633757 /nfs/dbraw/zinc/63/37/57/414633757.db2.gz COKJRSLWNQMIMF-CABCVRRESA-N 2 0 252.402 1.879 10 0 CDAERP C[C@@H]1CCC[N@H+](Cc2nc(N(C)C)no2)[C@@H]1CCC[NH3+] ZINC000662314353 414634439 /nfs/dbraw/zinc/63/44/39/414634439.db2.gz OBUPFVBNMNQINU-VXGBXAGGSA-N 2 0 281.404 1.475 10 0 CDAERP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@H]2CCOC2)CCO1 ZINC000662320355 414637188 /nfs/dbraw/zinc/63/71/88/414637188.db2.gz BGVQCNUEXFTWOP-ZIAGYGMSSA-N 2 0 256.390 1.066 10 0 CDAERP CC[NH+]1CCC([C@H](C)[NH2+]C[C@@H]2COCCO2)CC1 ZINC000038060781 174071810 /nfs/dbraw/zinc/07/18/10/174071810.db2.gz LDNXRMPRKVXFHE-GXTWGEPZSA-N 2 0 256.390 1.112 10 0 CDAERP c1ccc(C[N@@H+]2CCC[C@@H](N3CCC[NH2+]CC3)C2)cc1 ZINC000038087035 174098821 /nfs/dbraw/zinc/09/88/21/174098821.db2.gz OJDBMQJIUFUMOU-QGZVFWFLSA-N 2 0 273.424 1.946 10 0 CDAERP [NH3+][C@H]1CCC[C@@H]1N1CC[NH+](Cc2ccccc2)CC1 ZINC000040431787 174260376 /nfs/dbraw/zinc/26/03/76/174260376.db2.gz HWQDJUYUPMSPFL-HOTGVXAUSA-N 2 0 259.397 1.684 10 0 CDAERP C(CN1CCC([NH+]2CCCCC2)CC1)[NH2+]CC1CC1 ZINC000040694464 174378166 /nfs/dbraw/zinc/37/81/66/174378166.db2.gz CXNZUORZVSPFGP-UHFFFAOYSA-N 2 0 265.445 1.936 10 0 CDAERP CC(C)[NH2+]CCCC(=O)NCC[NH+]1CCCCCC1 ZINC000040768190 174398690 /nfs/dbraw/zinc/39/86/90/174398690.db2.gz RVZHDDMKQTWRDZ-UHFFFAOYSA-N 2 0 269.433 1.757 10 0 CDAERP CC[C@H]([NH3+])[C@H](c1ccccn1)N1CCC([NH+](C)C)CC1 ZINC000043339427 175013520 /nfs/dbraw/zinc/01/35/20/175013520.db2.gz XVRCEASNUXICMV-GOEBONIOSA-N 2 0 276.428 1.886 10 0 CDAERP [NH3+]CC1(N2CCO[C@H]3CCCC[C@H]32)CCSCC1 ZINC000043424865 175040104 /nfs/dbraw/zinc/04/01/04/175040104.db2.gz OFUIUPCKMAUHTR-OLZOCXBDSA-N 2 0 270.442 1.854 10 0 CDAERP C[NH2+][C@H](c1ccc(OC)cc1)[C@@H](C)N1CC[NH+](C)CC1 ZINC000043810528 175109626 /nfs/dbraw/zinc/10/96/26/175109626.db2.gz UDPGCSSRYOUHKP-CJNGLKHVSA-N 2 0 277.412 1.592 10 0 CDAERP C[NH2+][C@@H](C)[C@H](C)N1CCC([NH+]2CCCCC2)CC1 ZINC000043907795 175123371 /nfs/dbraw/zinc/12/33/71/175123371.db2.gz SUZJPGCPJMEXCG-KBPBESRZSA-N 2 0 253.434 1.933 10 0 CDAERP C[NH2+][C@H]1CCC2(C[C@H]1[N@@H+]1CC[C@@H](C)C1)OCCO2 ZINC000043908312 175123461 /nfs/dbraw/zinc/12/34/61/175123461.db2.gz VOLRATTULKIUQY-FRRDWIJNSA-N 2 0 254.374 1.212 10 0 CDAERP CCC[NH2+][C@H]1CCC[C@H]1N1CC[NH+](C2CC2)CC1 ZINC000043967776 175129106 /nfs/dbraw/zinc/12/91/06/175129106.db2.gz QDTJJMBODMBAIG-LSDHHAIUSA-N 2 0 251.418 1.687 10 0 CDAERP C[NH2+][C@H](CN1CCC(C[NH+](C)C)CC1)C(C)(C)C ZINC000043970562 175132214 /nfs/dbraw/zinc/13/22/14/175132214.db2.gz OXJNQNZMXNKEEF-CQSZACIVSA-N 2 0 255.450 1.894 10 0 CDAERP [NH3+]CC1CC[NH+](C[C@@H]2COC3(CCCC3)O2)CC1 ZINC000044514140 175189394 /nfs/dbraw/zinc/18/93/94/175189394.db2.gz ORIRRCURRYMNHM-CYBMUJFWSA-N 2 0 254.374 1.343 10 0 CDAERP C[C@H]1C[NH2+]C[C@H](C)C[NH+](CC2CC[NH+](C)CC2)C1 ZINC000044526827 175192123 /nfs/dbraw/zinc/19/21/23/175192123.db2.gz UFZVFQJBNMKLTA-KBPBESRZSA-N 3 0 253.434 1.506 10 0 CDAERP C[NH+]1CCC(CNC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000044526630 175192175 /nfs/dbraw/zinc/19/21/75/175192175.db2.gz QQQXTQDFPCCLKG-QLFBSQMISA-N 2 0 279.428 1.365 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H](C)CN(C[C@@H]2CCCC[N@@H+]2C)C1 ZINC000044564235 175207414 /nfs/dbraw/zinc/20/74/14/175207414.db2.gz IVIBUYXEWWNMFU-ZNMIVQPWSA-N 2 0 253.434 1.648 10 0 CDAERP CCC[NH2+]CC(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000044650066 175224394 /nfs/dbraw/zinc/22/43/94/175224394.db2.gz HBFQKVVLPGKKLT-UHFFFAOYSA-N 2 0 255.406 1.317 10 0 CDAERP [NH3+][C@H](CN[C@@H]1CC[N@@H+](C2CC2)C1)Cc1ccccc1 ZINC000044679388 175228609 /nfs/dbraw/zinc/22/86/09/175228609.db2.gz HXMXJGQJLOIZTF-LSDHHAIUSA-N 2 0 259.397 1.383 10 0 CDAERP C[NH+](C)CC(C)(C)CNC(=O)[C@@H](C[NH3+])Cc1ccccc1 ZINC000044798057 175254550 /nfs/dbraw/zinc/25/45/50/175254550.db2.gz HWHJOIAUPWVKMV-OAHLLOKOSA-N 2 0 291.439 1.508 10 0 CDAERP CCC[C@H](C[NH3+])C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000044806959 175256601 /nfs/dbraw/zinc/25/66/01/175256601.db2.gz BSQGEQFVLNVVQU-CYBMUJFWSA-N 2 0 255.406 1.162 10 0 CDAERP COCC[C@](C)(C[NH3+])N1CC[NH+](C(C)(C)C)CC1 ZINC000045043473 175295578 /nfs/dbraw/zinc/29/55/78/175295578.db2.gz XBXJWWSWMHDSLI-CQSZACIVSA-N 2 0 257.422 1.156 10 0 CDAERP CC(C)[NH2+][C@@](C)(CC[NH+]1CCC(C[NH+](C)C)CC1)C(=O)[O-] ZINC000045277079 175347724 /nfs/dbraw/zinc/34/77/24/175347724.db2.gz PPYITGYCOOVAIZ-INIZCTEOSA-N 2 0 299.459 1.491 10 0 CDAERP CCC[NH2+][C@@](C)(CCN(C)C1CC[NH+](CC)CC1)C(N)=O ZINC000045278506 175348356 /nfs/dbraw/zinc/34/83/56/175348356.db2.gz WXAXXUUKEBLEIB-INIZCTEOSA-N 2 0 298.475 1.036 10 0 CDAERP C[N@H+](CCCC[C@](C)([NH2+]C1CC1)C(N)=O)C1CC1 ZINC000045383265 175370994 /nfs/dbraw/zinc/37/09/94/175370994.db2.gz XGYOFBXNLRZDFW-AWEZNQCLSA-N 2 0 253.390 1.247 10 0 CDAERP COC1CC[NH+](CCC[C@@](C)([NH2+]C(C)C)C(N)=O)CC1 ZINC000045389202 175373800 /nfs/dbraw/zinc/37/38/00/175373800.db2.gz JEMWWKXDAUZKDG-OAHLLOKOSA-N 2 0 285.432 1.119 10 0 CDAERP COC(=O)[C@@](C)([NH3+])CCCCN1CC[NH+](C(C)C)CC1 ZINC000045393789 175376095 /nfs/dbraw/zinc/37/60/95/175376095.db2.gz KUUKNGQRCFLVRE-HNNXBMFYSA-N 2 0 285.432 1.073 10 0 CDAERP CC(C)[NH2+][C@@](C)(CCC[N@H+](C)C1CCOCC1)C(N)=O ZINC000045418536 175377446 /nfs/dbraw/zinc/37/74/46/175377446.db2.gz PVGWUCKSZIVOJK-HNNXBMFYSA-N 2 0 285.432 1.119 10 0 CDAERP CCOC(=O)[C@](C)([NH3+])CCCC[N@H+](C)CC1CC1 ZINC000045419905 175378155 /nfs/dbraw/zinc/37/81/55/175378155.db2.gz SZCZSAWPDHZHMA-CQSZACIVSA-N 2 0 256.390 1.779 10 0 CDAERP CC[NH2+][C@@](C)(CCC[N@H+](C)C[C@@H]1CCCCO1)C(N)=O ZINC000045421255 175380064 /nfs/dbraw/zinc/38/00/64/175380064.db2.gz JSWBEUCBAIUNTK-ZFWWWQNUSA-N 2 0 285.432 1.121 10 0 CDAERP CCC[NH2+][C@H]1CCN(C[C@H](C)C[NH+]2CCCC2)C1=O ZINC000071031244 176022665 /nfs/dbraw/zinc/02/26/65/176022665.db2.gz DABIDODERVOMFN-KGLIPLIRSA-N 2 0 267.417 1.319 10 0 CDAERP C[NH2+][C@@H]1CCCN([C@H](CC(C)C)C[NH+](C)C)C1=O ZINC000071031989 176023115 /nfs/dbraw/zinc/02/31/15/176023115.db2.gz QTXGBZGJRWZZSR-CHWSQXEVSA-N 2 0 255.406 1.173 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)N1CCC[C@@H]([NH2+]C2CC2)C1=O ZINC000071032018 176023123 /nfs/dbraw/zinc/02/31/23/176023123.db2.gz HTPYWTODASIVIN-LSDHHAIUSA-N 2 0 281.444 1.706 10 0 CDAERP CC[NH2+][C@@H]1CCN(C[C@H](C)[NH+]2CCCCC2)C1=O ZINC000071036385 176025544 /nfs/dbraw/zinc/02/55/44/176025544.db2.gz RBEJWGDMCMUVGJ-QWHCGFSZSA-N 2 0 253.390 1.071 10 0 CDAERP C[C@H](CN1CCC[C@H]([NH2+]C2CC2)C1=O)[NH+]1CCCCC1 ZINC000071036406 176025818 /nfs/dbraw/zinc/02/58/18/176025818.db2.gz LGCQWHUEERJSTR-HIFRSBDPSA-N 2 0 279.428 1.604 10 0 CDAERP C[NH2+]C[C@H]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000071142372 176040116 /nfs/dbraw/zinc/04/01/16/176040116.db2.gz GZPJTHRLYZMPKH-IAGOWNOFSA-N 2 0 273.424 1.802 10 0 CDAERP CC[C@H]1CCCC[C@]1(CN)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000071162223 176046104 /nfs/dbraw/zinc/04/61/04/176046104.db2.gz BMEKNCQVGNCJHX-YESZJQIVSA-N 2 0 295.471 1.691 10 0 CDAERP CCCOc1cncc(N2CCC[N@H+](CCC[NH3+])CC2)n1 ZINC000071175777 176054480 /nfs/dbraw/zinc/05/44/80/176054480.db2.gz ZLNOVFNLGUEMQW-UHFFFAOYSA-N 2 0 293.415 1.126 10 0 CDAERP COc1cccc([C@H](C[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000071187883 176061615 /nfs/dbraw/zinc/06/16/15/176061615.db2.gz JQRIGLXUFKKOHU-CJNGLKHVSA-N 2 0 277.412 1.579 10 0 CDAERP Cc1ccc(C(N)=[NH2+])c(N(C)C[C@@H]2CC[N@H+](C)C2)n1 ZINC000071189310 176064768 /nfs/dbraw/zinc/06/47/68/176064768.db2.gz FWZWVPZNWGTJRP-LLVKDONJSA-N 2 0 261.373 1.062 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000071189702 176065294 /nfs/dbraw/zinc/06/52/94/176065294.db2.gz GQPTXAJHGTUBGO-CJNGLKHVSA-N 2 0 287.407 1.111 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)C[C@@H]2CC[NH+](C)C2)O1 ZINC000071192053 176074057 /nfs/dbraw/zinc/07/40/57/176074057.db2.gz RWIVPVLZVPFTFQ-OAGGEKHMSA-N 3 0 283.460 1.417 10 0 CDAERP CCC[NH+]1CCC(N2CC[C@@H]([NH2+]C3CC3)C2)CC1 ZINC000071201393 176078067 /nfs/dbraw/zinc/07/80/67/176078067.db2.gz BXGHFTYFFJWWNB-CQSZACIVSA-N 2 0 251.418 1.687 10 0 CDAERP C[NH+](C)[C@H]1CCN(Cc2ccc(F)cc2C[NH3+])C1 ZINC000071263696 176096798 /nfs/dbraw/zinc/09/67/98/176096798.db2.gz SOGIQHQIEITECZ-AWEZNQCLSA-N 2 0 251.349 1.420 10 0 CDAERP CC(C)[NH+]1CCN(Cc2ccc(F)cc2C(N)=[NH2+])CC1 ZINC000071267700 176101239 /nfs/dbraw/zinc/10/12/39/176101239.db2.gz LZCGMLBBCGTJNH-UHFFFAOYSA-N 2 0 278.375 1.636 10 0 CDAERP CCOC(=O)CCCCC[NH2+]C[C@@H]1CC[N@H+](C)C1 ZINC000071293568 176111909 /nfs/dbraw/zinc/11/19/09/176111909.db2.gz XSGLZBCXZDTKHU-ZDUSSCGKSA-N 2 0 256.390 1.651 10 0 CDAERP CC[C@@H](CC[NH3+])CCC(=O)N(C)C1CC[NH+](C)CC1 ZINC000079206705 177445845 /nfs/dbraw/zinc/44/58/45/177445845.db2.gz HMJCFQKHORBWEP-CYBMUJFWSA-N 2 0 269.433 1.694 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000417946690 227585639 /nfs/dbraw/zinc/58/56/39/227585639.db2.gz ZFJZFURMTBFRNN-JYVUQVBGSA-N 2 0 296.459 1.533 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)C[C@H](O)c1ccc(F)cc1 ZINC000817905553 782026097 /nfs/dbraw/zinc/02/60/97/782026097.db2.gz OIKYIWHLOTXZCR-RCBQFDQVSA-N 2 0 298.402 1.981 10 0 CDAERP c1cncc([C@H]2C[NH2+]CCN2CC[C@H]2CC[NH2+]C2)c1 ZINC000517567437 260193372 /nfs/dbraw/zinc/19/33/72/260193372.db2.gz OIKJMDZADVZAKO-UKRRQHHQSA-N 2 0 260.385 1.028 10 0 CDAERP CN1CCN(C(=O)Nc2ccc3cnccc3c2)[C@H](C[NH3+])C1 ZINC000518341195 260379943 /nfs/dbraw/zinc/37/99/43/260379943.db2.gz FCZOPYXWKDSOGN-OAHLLOKOSA-N 2 0 299.378 1.341 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)NC(C)C)[C@H](C)C1 ZINC000175725851 261244517 /nfs/dbraw/zinc/24/45/17/261244517.db2.gz XPFCYPVGHLQFMR-ZIAGYGMSSA-N 2 0 269.433 1.563 10 0 CDAERP CC[N@@H+]1CC[C@@H](CNCc2cnnn2Cc2ccccc2)C1 ZINC000292021086 263127471 /nfs/dbraw/zinc/12/74/71/263127471.db2.gz XBUINDIPHVWNNN-INIZCTEOSA-N 2 0 299.422 1.758 10 0 CDAERP CCC[C@H](C)[C@H](CO)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000651893989 423865334 /nfs/dbraw/zinc/86/53/34/423865334.db2.gz NGAOZMKQUXMPIK-XQLPTFJDSA-N 2 0 254.418 2.000 10 0 CDAERP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000651864862 423828321 /nfs/dbraw/zinc/82/83/21/423828321.db2.gz HFLCXLRYCQQILF-CYBMUJFWSA-N 2 0 269.433 1.611 10 0 CDAERP FC1(F)C[C@H]1OCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000662272975 423833525 /nfs/dbraw/zinc/83/35/25/423833525.db2.gz JDXDJCSGEAQIRG-GRYCIOLGSA-N 2 0 260.328 1.342 10 0 CDAERP CO[C@@H](C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)C1CCCC1 ZINC000662274669 423838881 /nfs/dbraw/zinc/83/88/81/423838881.db2.gz ZOGSBZROZLBKST-HOTGVXAUSA-N 2 0 281.444 1.171 10 0 CDAERP C[NH2+]C[C@](C)(O)C[N@@H+]1CCc2ccccc2C(C)(C)C1 ZINC000662299852 423932272 /nfs/dbraw/zinc/93/22/72/423932272.db2.gz YMDPWQWHTKNKQS-KRWDZBQOSA-N 2 0 276.424 1.793 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000662388917 424026201 /nfs/dbraw/zinc/02/62/01/424026201.db2.gz QEXROBSJCDULEJ-CABCVRRESA-N 2 0 299.459 1.367 10 0 CDAERP [NH3+]CC1(CCNC(=O)NCc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000652216207 424074471 /nfs/dbraw/zinc/07/44/71/424074471.db2.gz LXQPHDWQXQXCBI-UHFFFAOYSA-N 2 0 288.395 1.218 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)NCC(C)(C)[NH3+] ZINC000652209003 424078150 /nfs/dbraw/zinc/07/81/50/424078150.db2.gz XNMDIHYRTGOJBY-UHFFFAOYSA-N 2 0 258.410 1.001 10 0 CDAERP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000655246559 424078816 /nfs/dbraw/zinc/07/88/16/424078816.db2.gz LCMZHBVKNUBZBV-FZNQNYSPSA-N 2 0 289.423 1.818 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000652225459 424089344 /nfs/dbraw/zinc/08/93/44/424089344.db2.gz ZUQORYJAJNPMEQ-CABCVRRESA-N 2 0 298.475 1.733 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662437752 424094800 /nfs/dbraw/zinc/09/48/00/424094800.db2.gz STTZSQZUUSEADE-OAHLLOKOSA-N 2 0 275.396 1.677 10 0 CDAERP CCN(C(=O)NC[C@@H](C)[NH+](C)C1CC1)[C@H]1CC[N@H+](C)C1 ZINC000663999539 424095425 /nfs/dbraw/zinc/09/54/25/424095425.db2.gz RZHCXLKQNDAQFK-OCCSQVGLSA-N 2 0 282.432 1.205 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000662401400 424044245 /nfs/dbraw/zinc/04/42/45/424044245.db2.gz UHOJSPKACORBIW-YCPHGPKFSA-N 2 0 299.459 1.365 10 0 CDAERP CCN(C(=O)N[C@@H]1CC[NH+](C)[C@@H](C)C1)[C@H]1CC[N@H+](C)C1 ZINC000664216249 424183132 /nfs/dbraw/zinc/18/31/32/424183132.db2.gz GAIITWGDNUVLPT-MJBXVCDLSA-N 2 0 282.432 1.205 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662694936 424327217 /nfs/dbraw/zinc/32/72/17/424327217.db2.gz DYIQFXWZNAPLPP-KBPBESRZSA-N 2 0 293.455 1.898 10 0 CDAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)CCCC[NH3+] ZINC000309702765 424328330 /nfs/dbraw/zinc/32/83/30/424328330.db2.gz GTPIHLUPKVTVOA-AWEZNQCLSA-N 2 0 277.412 1.752 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000653133661 424343152 /nfs/dbraw/zinc/34/31/52/424343152.db2.gz UKVKKFRVOQUUAO-STQMWFEESA-N 2 0 261.369 1.188 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662710621 424359649 /nfs/dbraw/zinc/35/96/49/424359649.db2.gz IUODLLDYKMKFTE-FDYHWXHSSA-N 2 0 253.390 1.103 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000659617949 424412966 /nfs/dbraw/zinc/41/29/66/424412966.db2.gz BWDNYNIGXOXXMM-FQUUOJAGSA-N 2 0 282.432 1.129 10 0 CDAERP CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400974425 424418869 /nfs/dbraw/zinc/41/88/69/424418869.db2.gz RGMFLHRHXUKPJC-CAOSSQGBSA-N 2 0 267.461 1.940 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC000665274744 424486949 /nfs/dbraw/zinc/48/69/49/424486949.db2.gz XJGQSFVSQGUQHX-MMWGEVLESA-N 2 0 262.344 1.620 10 0 CDAERP CC(C)C[C@H](C[NH2+]CCF)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001667091455 1173233248 /nfs/dbraw/zinc/23/32/48/1173233248.db2.gz AGBJSIXHRUTMPR-ZIAGYGMSSA-N 2 0 287.423 1.561 10 0 CDAERP CC(C)([NH3+])c1cc(C(=O)N[C@H](C[NH3+])C2CCCC2)on1 ZINC000662811975 424501447 /nfs/dbraw/zinc/50/14/47/424501447.db2.gz CZFVPCLNFSZOER-SNVBAGLBSA-N 2 0 280.372 1.116 10 0 CDAERP Cc1ccc([C@@H]([NH3+])C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000655488949 424505108 /nfs/dbraw/zinc/50/51/08/424505108.db2.gz JSWRLSZPLGSFOJ-VHDGCEQUSA-N 2 0 275.396 1.451 10 0 CDAERP CC1(C)CC[NH2+][C@@H]1C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000662826556 424510878 /nfs/dbraw/zinc/51/08/78/424510878.db2.gz HJXQULDSHRHJPR-MQYJIDSJSA-N 2 0 265.401 1.104 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1c(OC)cccc1OC ZINC000665237579 424469190 /nfs/dbraw/zinc/46/91/90/424469190.db2.gz DVWWWTMUKAYLSR-GFCCVEGCSA-N 2 0 282.384 1.547 10 0 CDAERP CO[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@H]1CCOC1 ZINC000665234786 424469887 /nfs/dbraw/zinc/46/98/87/424469887.db2.gz KCNHEZDFWQQQFJ-XLWJZTARSA-N 2 0 268.401 1.016 10 0 CDAERP C[C@H]1C[N@H+](C)C[C@@H]1N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665251337 424474727 /nfs/dbraw/zinc/47/47/27/424474727.db2.gz NCWLBVDLFDTJRU-SVGFKBNWSA-N 2 0 273.424 1.672 10 0 CDAERP C[C@@H]1CC[C@@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)CS1 ZINC000655763324 424477646 /nfs/dbraw/zinc/47/76/46/424477646.db2.gz NFGZTHJCHXHLAX-ZIAGYGMSSA-N 2 0 285.501 1.886 10 0 CDAERP C(C1CCOCC1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000052174662 424578289 /nfs/dbraw/zinc/57/82/89/424578289.db2.gz GMNGTCHZFGBGDA-LSDHHAIUSA-N 2 0 252.402 1.877 10 0 CDAERP CC[NH+](CC)CCC[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000191484957 270291062 /nfs/dbraw/zinc/29/10/62/270291062.db2.gz AEBTVOPCINRENX-INIZCTEOSA-N 3 0 299.503 1.743 10 0 CDAERP CC(C)[N@H+](C)CCN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001667580892 1173293520 /nfs/dbraw/zinc/29/35/20/1173293520.db2.gz RLBDYZCKFWCHNS-CQSZACIVSA-N 2 0 269.433 1.659 10 0 CDAERP C[C@H]([NH2+]C[C@]1(C)COc2ccccc2O1)C1C[NH2+]C1 ZINC000530207358 271150543 /nfs/dbraw/zinc/15/05/43/271150543.db2.gz DFXVSZFSXGPEGD-XHDPSFHLSA-N 2 0 262.353 1.414 10 0 CDAERP COCC[NH2+]C1CCN(Cc2ccncc2C)CC1 ZINC000530224877 271167694 /nfs/dbraw/zinc/16/76/94/271167694.db2.gz NDEKZXWFAUAUOZ-UHFFFAOYSA-N 2 0 263.385 1.590 10 0 CDAERP CN(CC[N@H+](C)CC1CCC1)C(=O)C[NH+]1CCCC1 ZINC001667665114 1173309013 /nfs/dbraw/zinc/30/90/13/1173309013.db2.gz WPEUCOLKLDVHLL-UHFFFAOYSA-N 2 0 267.417 1.273 10 0 CDAERP C[NH2+]CCc1ccccc1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000228500467 277272813 /nfs/dbraw/zinc/27/28/13/277272813.db2.gz KNTGRVBBYHDQDQ-OAHLLOKOSA-N 2 0 287.407 1.369 10 0 CDAERP C[C@H](CC[NH2+]C/C=C\Cl)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001668274352 1173390645 /nfs/dbraw/zinc/39/06/45/1173390645.db2.gz QRGNFBDSSPXGBA-WKSPHBBESA-N 2 0 287.835 1.565 10 0 CDAERP CC(C)[C@H](O)C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000336845839 277924405 /nfs/dbraw/zinc/92/44/05/277924405.db2.gz FTVFIFQNMNIEGW-YESZJQIVSA-N 2 0 297.487 1.494 10 0 CDAERP C[C@@]1(C[N@@H+]2CCC[C@H](OCC3CC3)C2)CC[NH2+]C1 ZINC000261974128 278121925 /nfs/dbraw/zinc/12/19/25/278121925.db2.gz INNRAZJQONZZRI-LSDHHAIUSA-N 2 0 252.402 1.877 10 0 CDAERP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[C@H]1C[C@H]1C ZINC000414101849 278254410 /nfs/dbraw/zinc/25/44/10/278254410.db2.gz WXSQTGQKJMQVEP-XVLPMQGWSA-N 2 0 266.429 1.998 10 0 CDAERP C[C@H]([NH2+]CCC[NH3+])[C@H](c1ccccc1)N1CCOCC1 ZINC000423182701 278257339 /nfs/dbraw/zinc/25/73/39/278257339.db2.gz GWIPIVYQBAYTNV-GOEBONIOSA-N 2 0 277.412 1.387 10 0 CDAERP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@@H]1CC1(C)C ZINC000487328207 278257912 /nfs/dbraw/zinc/25/79/12/278257912.db2.gz UUAXWNKRUDYYIH-MJBXVCDLSA-N 2 0 281.444 1.598 10 0 CDAERP C[C@@H]1C[N@@H+](C2CCN(C[C@@]3(C)CC[NH2+]C3)CC2)CCO1 ZINC000261914096 288134369 /nfs/dbraw/zinc/13/43/69/288134369.db2.gz YWWZJAOYVWXUFZ-ZBFHGGJFSA-N 2 0 281.444 1.171 10 0 CDAERP CC(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000195124983 280070519 /nfs/dbraw/zinc/07/05/19/280070519.db2.gz XNGRZDUIBFKYAF-HNNXBMFYSA-N 2 0 296.459 1.500 10 0 CDAERP O=C([C@@H]1CC12CC[NH2+]CC2)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000070254122 280078671 /nfs/dbraw/zinc/07/86/71/280078671.db2.gz KXTDIAMIDLFYIE-KBPBESRZSA-N 2 0 277.412 1.073 10 0 CDAERP CC(C)[C@H](C(=O)N1CCC[C@]2(CC[NH2+]C2)C1)[NH+](C)C ZINC000335328804 280149797 /nfs/dbraw/zinc/14/97/97/280149797.db2.gz FYIOTUNCKOJERT-UKRRQHHQSA-N 2 0 267.417 1.175 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000245880024 280236364 /nfs/dbraw/zinc/23/63/64/280236364.db2.gz AREJOVVWZWQHFU-CHWSQXEVSA-N 2 0 253.390 1.023 10 0 CDAERP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711277738 782052222 /nfs/dbraw/zinc/05/22/22/782052222.db2.gz SYRUGJCYJPUOHC-ZDUSSCGKSA-N 2 0 267.417 1.032 10 0 CDAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000522145128 281088917 /nfs/dbraw/zinc/08/89/17/281088917.db2.gz IUMITZNEZWTCEN-JKSUJKDBSA-N 2 0 289.423 1.227 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000333382046 289302294 /nfs/dbraw/zinc/30/22/94/289302294.db2.gz NQCNMVKEKQOIMZ-MGPQQGTHSA-N 2 0 282.432 1.301 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000262689611 289399644 /nfs/dbraw/zinc/39/96/44/289399644.db2.gz ZACSJSWXINVIFE-QXSJWSMHSA-N 2 0 295.471 1.988 10 0 CDAERP C[C@H]([NH3+])[C@H](C)C(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000364782412 289784026 /nfs/dbraw/zinc/78/40/26/289784026.db2.gz HVNOOFXFPHMHOQ-QWRGUYRKSA-N 2 0 261.369 1.408 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC000552844287 290083266 /nfs/dbraw/zinc/08/32/66/290083266.db2.gz UHKBFAYISOIXDT-OLZOCXBDSA-N 2 0 295.452 1.809 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NCC(C)(C)C[NH+](C)C)C1 ZINC000553176551 290099898 /nfs/dbraw/zinc/09/98/98/290099898.db2.gz HWFJRVWNCYPMBD-LBPRGKRZSA-N 2 0 255.406 1.032 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NCC(C)(C)C[NH+](C)C)C1 ZINC000553176550 290100013 /nfs/dbraw/zinc/10/00/13/290100013.db2.gz HWFJRVWNCYPMBD-GFCCVEGCSA-N 2 0 255.406 1.032 10 0 CDAERP C[N@@H+]1CC[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)[C@@H]2CCC[C@@H]21 ZINC000423358219 290223346 /nfs/dbraw/zinc/22/33/46/290223346.db2.gz BLBXHSBWHGNISQ-AICCOOGYSA-N 2 0 251.418 1.719 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000557213464 290336576 /nfs/dbraw/zinc/33/65/76/290336576.db2.gz ZCDXYSOWZHIYJW-RDBSUJKOSA-N 2 0 282.432 1.016 10 0 CDAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCC[NH2+]C1CCCCCC1 ZINC000418447462 290601426 /nfs/dbraw/zinc/60/14/26/290601426.db2.gz PPZHCEQKAKWOFD-ZFWWWQNUSA-N 2 0 296.459 1.596 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000561198773 293062450 /nfs/dbraw/zinc/06/24/50/293062450.db2.gz ONQKCVOUALEDOT-MELADBBJSA-N 2 0 282.432 1.158 10 0 CDAERP CC[NH2+]Cc1ccccc1NC(=O)COC1CC[NH2+]CC1 ZINC000567885229 293898252 /nfs/dbraw/zinc/89/82/52/293898252.db2.gz CGGQQWJCRGCQJB-UHFFFAOYSA-N 2 0 291.395 1.503 10 0 CDAERP [NH3+][C@H](CC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccccc1 ZINC000567898197 293901901 /nfs/dbraw/zinc/90/19/01/293901901.db2.gz FCQAVNDULIAZHT-OWCLPIDISA-N 2 0 287.407 1.535 10 0 CDAERP C[C@@H](CC1CCCCC1)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000568754480 294094955 /nfs/dbraw/zinc/09/49/55/294094955.db2.gz KKAFXDQMPSJGNW-RDJZCZTQSA-N 2 0 297.487 1.543 10 0 CDAERP [NH3+]CCC1CCN(C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000570578972 294266814 /nfs/dbraw/zinc/26/68/14/294266814.db2.gz YNRZYWMCRXZYME-HUUCEWRRSA-N 2 0 281.444 1.872 10 0 CDAERP [NH3+]C1(CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CCCCC1 ZINC000237757704 295208465 /nfs/dbraw/zinc/20/84/65/295208465.db2.gz BNJUOJPQWWCKEN-RDBSUJKOSA-N 2 0 279.428 1.685 10 0 CDAERP [NH3+][C@H]1CCC[C@H](C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000070575359 295337246 /nfs/dbraw/zinc/33/72/46/295337246.db2.gz BYIQVKQSLFPUBS-RYUDHWBXSA-N 2 0 265.401 1.247 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000418584503 297108793 /nfs/dbraw/zinc/10/87/93/297108793.db2.gz CDFQOPITZRQFEY-RBSFLKMASA-N 2 0 294.443 1.254 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)CC[NH2+]1 ZINC000369093940 300398659 /nfs/dbraw/zinc/39/86/59/300398659.db2.gz YGOHWIYPBVKDRE-BYNSBNAKSA-N 2 0 279.428 1.365 10 0 CDAERP Cc1ccc2c(c1)C1(C[C@H]2[NH2+]CCO)CC[NH2+]CC1 ZINC000096088800 301877776 /nfs/dbraw/zinc/87/77/76/301877776.db2.gz JYIOLXPBQCZRSJ-OAHLLOKOSA-N 2 0 260.381 1.643 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC1CC1 ZINC001669572048 1173571530 /nfs/dbraw/zinc/57/15/30/1173571530.db2.gz KVEBJEDOLDGCAG-GXTWGEPZSA-N 2 0 267.417 1.365 10 0 CDAERP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)C1([NH3+])CCCC1 ZINC000261628729 303363507 /nfs/dbraw/zinc/36/35/07/303363507.db2.gz JBVDJIOVHTZWQG-MPEURRAXSA-N 2 0 265.401 1.280 10 0 CDAERP O=C(CCC1CC[NH2+]CC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000335107997 303577236 /nfs/dbraw/zinc/57/72/36/303577236.db2.gz QHQGIGAVMIHJSN-MRXNPFEDSA-N 2 0 279.428 1.368 10 0 CDAERP O=C(NCCC1=CC[NH2+]CC1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334941939 303764723 /nfs/dbraw/zinc/76/47/23/303764723.db2.gz AOCAXTHUEOOXQQ-MRXNPFEDSA-N 2 0 292.427 1.081 10 0 CDAERP CCCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001669782857 1173603024 /nfs/dbraw/zinc/60/30/24/1173603024.db2.gz LHUOAAJKMYHDSY-KGLIPLIRSA-N 2 0 269.433 1.707 10 0 CDAERP CC/C=C/CC[N@H+](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001669909491 1173629704 /nfs/dbraw/zinc/62/97/04/1173629704.db2.gz GEDCDNKEOXKFKX-LLYBFZRZSA-N 2 0 293.455 1.875 10 0 CDAERP CC(C)[NH2+]CCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001670095634 1173653274 /nfs/dbraw/zinc/65/32/74/1173653274.db2.gz RJWCRDBSNSHBJD-AWEZNQCLSA-N 2 0 267.417 1.175 10 0 CDAERP CC[NH2+]CCCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001670130873 1173656301 /nfs/dbraw/zinc/65/63/01/1173656301.db2.gz PPEWDVCPIKQYHK-ZDUSSCGKSA-N 2 0 255.406 1.319 10 0 CDAERP CC(C)(CNC1=[NH+]CCCCN1)[NH+]1CCCCC1 ZINC000849215256 782084542 /nfs/dbraw/zinc/08/45/42/782084542.db2.gz YAIUYSPDRUPQTA-UHFFFAOYSA-N 2 0 252.406 1.580 10 0 CDAERP C[C@@H]1CCC[C@H](CC[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1 ZINC000576271444 317107690 /nfs/dbraw/zinc/10/76/90/317107690.db2.gz AQIGORIACRYUJY-ZACQAIPSSA-N 2 0 297.487 1.401 10 0 CDAERP COC[C@H](C)C[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000187749974 323433189 /nfs/dbraw/zinc/43/31/89/323433189.db2.gz QMBCXKJJKALOJY-CQSZACIVSA-N 2 0 280.412 1.999 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000578986622 324073725 /nfs/dbraw/zinc/07/37/25/324073725.db2.gz KUHXNIALAVFECZ-JJXSEGSLSA-N 2 0 293.455 1.837 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000580895443 324592222 /nfs/dbraw/zinc/59/22/22/324592222.db2.gz SYJISQLVRZMFMV-OAHLLOKOSA-N 2 0 295.402 1.668 10 0 CDAERP Cc1c(Cl)c(C[NH2+][C@H]2CCc3nc[nH]c3C2)nn1C ZINC000583687090 325221074 /nfs/dbraw/zinc/22/10/74/325221074.db2.gz UBUHXGFRCPLOJP-VIFPVBQESA-N 2 0 279.775 1.752 10 0 CDAERP C[C@H](CC(=O)N1CC2CCC1(C[NH3+])CC2)[C@@H]1CCC[NH2+]C1 ZINC000584120794 327043898 /nfs/dbraw/zinc/04/38/98/327043898.db2.gz YFLMRCXJRKPAQG-HCEZTOJASA-N 2 0 293.455 1.742 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](C[C@@H](C)CC)C1)[NH+](C)C ZINC001698551909 1175835740 /nfs/dbraw/zinc/83/57/40/1175835740.db2.gz FGCXYUNSZHCZTQ-BFHYXJOUSA-N 2 0 269.433 1.563 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[NH2+]CCCF ZINC001698597820 1175865137 /nfs/dbraw/zinc/86/51/37/1175865137.db2.gz TWUDZAFDMICDLS-ZIAGYGMSSA-N 2 0 287.423 1.703 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC ZINC001699263567 1176185172 /nfs/dbraw/zinc/18/51/72/1176185172.db2.gz LOBUGPOKGKTMOF-SZZPACECSA-N 2 0 253.390 1.143 10 0 CDAERP CCC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CC[C@H](C)F ZINC001481132215 1159538911 /nfs/dbraw/zinc/53/89/11/1159538911.db2.gz HKOIZFAKTSUNCC-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]CC(C)C ZINC001714797699 1159760781 /nfs/dbraw/zinc/76/07/81/1159760781.db2.gz MVVFDEURFGOFNF-CQSZACIVSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CN(C3CC3)C(=O)O2)CC[N@@H+]1C ZINC000848572002 782124331 /nfs/dbraw/zinc/12/43/31/782124331.db2.gz SIOOMVCHLTZVBL-MDZLAQPJSA-N 2 0 267.373 1.042 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccsc1)N(C)C(=O)C[NH+]1CCCC1 ZINC001482364480 1160179161 /nfs/dbraw/zinc/17/91/61/1160179161.db2.gz KDMHZNUWHJGAFP-ZDUSSCGKSA-N 2 0 295.452 1.780 10 0 CDAERP CN(C(=O)CC1([NH3+])CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000398205205 482243968 /nfs/dbraw/zinc/24/39/68/482243968.db2.gz XUGONABGKHHOEV-OAHLLOKOSA-N 2 0 287.407 1.601 10 0 CDAERP C[N@@H+](Cc1cccc2c1CC[NH2+]C2)C[C@H]1CCOC1 ZINC000398951406 482252078 /nfs/dbraw/zinc/25/20/78/482252078.db2.gz PPNDYCQINYXBSW-CYBMUJFWSA-N 2 0 260.381 1.801 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000669516248 482540521 /nfs/dbraw/zinc/54/05/21/482540521.db2.gz ZNCNJNVOMKEHAN-WQAKAFBOSA-N 2 0 281.787 1.454 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334407697 482724881 /nfs/dbraw/zinc/72/48/81/482724881.db2.gz RKHDLJOTVRDJLK-GDBMZVCRSA-N 2 0 279.428 1.463 10 0 CDAERP C[NH+](C)C[C@H](NC(=O)CC1([NH3+])CCC1)c1ccccc1 ZINC000094295010 482777913 /nfs/dbraw/zinc/77/79/13/482777913.db2.gz IBMZQCOBXSGEIG-AWEZNQCLSA-N 2 0 275.396 1.677 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCC[C@H](OC)C2)CC1 ZINC000684389101 482787410 /nfs/dbraw/zinc/78/74/10/482787410.db2.gz JVTNMJQIBKKNMF-CVEARBPZSA-N 2 0 283.460 1.561 10 0 CDAERP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261720863 482921468 /nfs/dbraw/zinc/92/14/68/482921468.db2.gz KAKFQXGDQOYRJY-ZQDZILKHSA-N 2 0 279.428 1.589 10 0 CDAERP [NH3+]C/C=C/CNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000669423036 483029164 /nfs/dbraw/zinc/02/91/64/483029164.db2.gz OGYZMSXSMRNZKQ-ONEGZZNKSA-N 2 0 294.443 1.455 10 0 CDAERP Cc1cccn2cc(CN3CC[N@H+](CCO)[C@H](C)C3)nc12 ZINC000681711681 483043325 /nfs/dbraw/zinc/04/33/25/483043325.db2.gz GRAGQLISAIYQNS-CQSZACIVSA-N 2 0 288.395 1.141 10 0 CDAERP CC1CC[NH+](CCNC(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089459305 483086053 /nfs/dbraw/zinc/08/60/53/483086053.db2.gz YMJVNQGGQIVRGU-KBPBESRZSA-N 2 0 267.417 1.210 10 0 CDAERP C[NH+](C)CC[C@@H](NC(=O)NC/C=C/C[NH3+])C(C)(C)C ZINC000669487200 483270463 /nfs/dbraw/zinc/27/04/63/483270463.db2.gz OOJFICONUJHQHL-NNNHXZLVSA-N 2 0 270.421 1.167 10 0 CDAERP NC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccnn1-c1ccncc1 ZINC000667561042 483331613 /nfs/dbraw/zinc/33/16/13/483331613.db2.gz JLRVJWAVAASIOR-CQSZACIVSA-N 2 0 299.378 1.497 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)C[C@H]([NH3+])C(C)C ZINC000136318523 483390169 /nfs/dbraw/zinc/39/01/69/483390169.db2.gz RJMOAPTUOVHFHL-STQMWFEESA-N 2 0 257.422 1.452 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)C1 ZINC000668159277 483589251 /nfs/dbraw/zinc/58/92/51/483589251.db2.gz PRIHAEOXLROOEV-VHDGCEQUSA-N 2 0 252.402 1.874 10 0 CDAERP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000680356661 483592964 /nfs/dbraw/zinc/59/29/64/483592964.db2.gz OCPLASUNUBVIFI-GFCCVEGCSA-N 2 0 295.431 1.550 10 0 CDAERP C[NH+](C)C[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC000680359097 483594101 /nfs/dbraw/zinc/59/41/01/483594101.db2.gz HYUXCJJBIQBYGT-HNNXBMFYSA-N 2 0 281.444 1.661 10 0 CDAERP CC(C)[NH2+]CC1(C[N@@H+]2CCC[C@H](O)C2)CCOCC1 ZINC000052197485 519719952 /nfs/dbraw/zinc/71/99/52/519719952.db2.gz FMYXICVBKSIMLA-AWEZNQCLSA-N 2 0 270.417 1.238 10 0 CDAERP CC(C)C[NH2+]CCCN(C)C(=O)C[N@H+](C)C(C)C ZINC001483512192 1160932560 /nfs/dbraw/zinc/93/25/60/1160932560.db2.gz RKHIMHMRUOHYDW-UHFFFAOYSA-N 2 0 257.422 1.421 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)Cc2ccoc2)O1 ZINC000052545670 519954094 /nfs/dbraw/zinc/95/40/94/519954094.db2.gz OAHZFIPXPLLEEA-UONOGXRCSA-N 2 0 252.358 1.869 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000061272794 520163162 /nfs/dbraw/zinc/16/31/62/520163162.db2.gz OYXSTGYPZKJYTG-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP CC[NH2+][C@H](CCN1CCN(CC[NH+](C)C)CC1)C(C)(C)C ZINC000061653799 520190240 /nfs/dbraw/zinc/19/02/40/520190240.db2.gz KMDUDUOBUFRIPN-MRXNPFEDSA-N 2 0 298.519 1.580 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](CNC(=[NH2+])NCCC2CC2)C1 ZINC000864459291 782140304 /nfs/dbraw/zinc/14/03/04/782140304.db2.gz GLJLHGAGEURCTJ-AWEZNQCLSA-N 2 0 266.433 1.878 10 0 CDAERP CCCC[C@H](CC)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000069382289 521181543 /nfs/dbraw/zinc/18/15/43/521181543.db2.gz BCYZYRKOHYGLLE-KBPBESRZSA-N 2 0 269.433 1.742 10 0 CDAERP C[C@H]1C[N@H+](Cc2cccc3c2OCCO3)CC[C@@H]1C[NH3+] ZINC000923497900 1161545506 /nfs/dbraw/zinc/54/55/06/1161545506.db2.gz NEMBDJYVUDSYQX-QWHCGFSZSA-N 2 0 276.380 1.875 10 0 CDAERP C[NH2+]C(C)(C)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000061316173 521945600 /nfs/dbraw/zinc/94/56/00/521945600.db2.gz IEUMPMPUCYCELV-UHFFFAOYSA-N 2 0 279.384 1.564 10 0 CDAERP C[NH2+]Cc1cnc(N2CCC(C[NH+](C)C)CC2)s1 ZINC000054907413 522145937 /nfs/dbraw/zinc/14/59/37/522145937.db2.gz MSHBEYNPBWPMNO-UHFFFAOYSA-N 2 0 268.430 1.641 10 0 CDAERP CC[N@H+](C)CCCN(C)C(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001724860750 1181774818 /nfs/dbraw/zinc/77/48/18/1181774818.db2.gz QZVNWYFRZQDBLQ-OKILXGFUSA-N 2 0 269.433 1.659 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001725517164 1182033637 /nfs/dbraw/zinc/03/36/37/1182033637.db2.gz GENITYPFIGOAGK-QWHCGFSZSA-N 2 0 255.406 1.031 10 0 CDAERP CCC[C@H](C(=O)N1CC[N@@H+]2CCC[C@H]2C1)[NH+](C)C ZINC000245693800 535578446 /nfs/dbraw/zinc/57/84/46/535578446.db2.gz PJUMAOVCIJUYCX-QWHCGFSZSA-N 2 0 253.390 1.023 10 0 CDAERP CC(C)(C)[NH+]1CCN(Cc2ccnc(C[NH3+])c2)CC1 ZINC000068749869 518712911 /nfs/dbraw/zinc/71/29/11/518712911.db2.gz KYKKVTMTYGCHAK-UHFFFAOYSA-N 2 0 262.401 1.456 10 0 CDAERP CC(C)[NH+](CCNC(=O)c1cc[nH+]c(NN)c1)C(C)C ZINC000051089211 519648187 /nfs/dbraw/zinc/64/81/87/519648187.db2.gz SMDYTAIDVAAWQO-UHFFFAOYSA-N 2 0 279.388 1.216 10 0 CDAERP CC(C)CN(CC[NH+](C)C)Cc1ccc[nH+]c1NN ZINC000052719035 519716630 /nfs/dbraw/zinc/71/66/30/519716630.db2.gz VTGYMMTZXCYVSE-UHFFFAOYSA-N 2 0 265.405 1.387 10 0 CDAERP CC(C)[NH2+]CCCC(=O)N[C@@H](C)C[NH+]1CCCC1 ZINC000049184810 519720463 /nfs/dbraw/zinc/72/04/63/519720463.db2.gz ROKSSJHHNGWFPR-ZDUSSCGKSA-N 2 0 255.406 1.365 10 0 CDAERP CC(C)OCCC[NH2+]CCN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000062974806 519764264 /nfs/dbraw/zinc/76/42/64/519764264.db2.gz GPVMVXXRARFYQF-QGZVFWFLSA-N 2 0 297.487 1.951 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NS(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000049204828 519814775 /nfs/dbraw/zinc/81/47/75/519814775.db2.gz PLWUDLPBLRAWBB-AWEZNQCLSA-N 2 0 299.440 1.010 10 0 CDAERP CCC[NH+]1CCN(C(=O)[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000055086462 519856309 /nfs/dbraw/zinc/85/63/09/519856309.db2.gz CZCIJYDCVWPRQV-STQMWFEESA-N 2 0 253.390 1.058 10 0 CDAERP CCC[NH+]1CCN(C[C@@]2(C[NH2+]CC(C)C)CCOC2)CC1 ZINC000051207546 519858553 /nfs/dbraw/zinc/85/85/53/519858553.db2.gz ADLAVQVGDYIAKN-KRWDZBQOSA-N 2 0 297.487 1.666 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000061287150 519905242 /nfs/dbraw/zinc/90/52/42/519905242.db2.gz GQDPUQPFMMEOOB-CYBMUJFWSA-N 2 0 269.433 1.755 10 0 CDAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C)CC1 ZINC000054628031 519910840 /nfs/dbraw/zinc/91/08/40/519910840.db2.gz XPTZJUNXAAYPNU-LQDVMPOASA-N 2 0 251.418 1.686 10 0 CDAERP CC[NH2+]CC1(C[N@@H+]2CCCO[C@@H](C)C2)CCOCC1 ZINC000061934454 519912738 /nfs/dbraw/zinc/91/27/38/519912738.db2.gz VQJRMTTUNYAMRU-AWEZNQCLSA-N 2 0 270.417 1.504 10 0 CDAERP CCC[NH2+]CCNC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000236802838 519916080 /nfs/dbraw/zinc/91/60/80/519916080.db2.gz BUWUIOSACKATPE-QWHCGFSZSA-N 2 0 255.406 1.400 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000061266261 519936309 /nfs/dbraw/zinc/93/63/09/519936309.db2.gz NGGDCOBKLVMMQR-UONOGXRCSA-N 2 0 269.433 1.470 10 0 CDAERP CC[NH2+]C[C@H](C)CN1CC[NH+](C2CCCC2)CC1 ZINC000052573476 519970364 /nfs/dbraw/zinc/97/03/64/519970364.db2.gz MMBUURQXXAGWHZ-AWEZNQCLSA-N 2 0 253.434 1.792 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)N(CC[NH+](C)C)CC(C)C ZINC000061272754 520059714 /nfs/dbraw/zinc/05/97/14/520059714.db2.gz MCYOBNGZICFQJI-ZDUSSCGKSA-N 2 0 257.422 1.421 10 0 CDAERP CC[NH2+][C@H](CN1CC[C@H]([NH+]2CCCC2)C1)C1CC1 ZINC000069075447 520199210 /nfs/dbraw/zinc/19/92/10/520199210.db2.gz NGNWVDPZADMRSD-LSDHHAIUSA-N 2 0 251.418 1.545 10 0 CDAERP CCO[C@@H](C[NH3+])C[N@H+](C)CCCc1ccccc1 ZINC000062739596 520309226 /nfs/dbraw/zinc/30/92/26/520309226.db2.gz ZHPINAAOQAEVQU-HNNXBMFYSA-N 2 0 250.386 1.915 10 0 CDAERP CCO[C@@H](C[NH3+])CC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000062740775 520309597 /nfs/dbraw/zinc/30/95/97/520309597.db2.gz NRDALARGDZZPIA-IAGOWNOFSA-N 2 0 291.439 1.729 10 0 CDAERP CC[NH+](CC)CCc1nc(C)cc(C[NH2+]CCOC)n1 ZINC000054832615 520711686 /nfs/dbraw/zinc/71/16/86/520711686.db2.gz PERUQZBPMNCQEK-UHFFFAOYSA-N 2 0 280.416 1.405 10 0 CDAERP CC[N@H+](CCCC[C@@](C)([NH2+]C1CC1)C(N)=O)CC1CC1 ZINC000069239510 521003603 /nfs/dbraw/zinc/00/36/03/521003603.db2.gz ANACROZRYCMRFI-MRXNPFEDSA-N 2 0 281.444 1.885 10 0 CDAERP CC[N@H+](CCC[C@@](C)([NH2+]C1CC1)C(N)=O)CC1CC1 ZINC000069239446 521041816 /nfs/dbraw/zinc/04/18/16/521041816.db2.gz LOAMFWLCWPAZBM-OAHLLOKOSA-N 2 0 267.417 1.495 10 0 CDAERP CC[NH+]1CCN(c2c(C[NH2+]C(C)(C)C)c(C)nn2C)CC1 ZINC000062734840 521696656 /nfs/dbraw/zinc/69/66/56/521696656.db2.gz WZYVCXNSIZEPOC-UHFFFAOYSA-N 2 0 293.459 1.759 10 0 CDAERP C[NH+](C)CCn1cc(CCC[NH2+]C(C)(C)C)cn1 ZINC000054680437 521817164 /nfs/dbraw/zinc/81/71/64/521817164.db2.gz VGQCVYIFPDBEAL-UHFFFAOYSA-N 2 0 252.406 1.765 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1CCOc1ccc(C(N)=[NH2+])cc1 ZINC000061644713 521838064 /nfs/dbraw/zinc/83/80/64/521838064.db2.gz QBHYLZWPERBJJW-AWEZNQCLSA-N 2 0 290.411 1.375 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1CC[NH2+]CCc1cccs1 ZINC000061655085 521867881 /nfs/dbraw/zinc/86/78/81/521867881.db2.gz PKXHSDMSBIFZQC-CQSZACIVSA-N 2 0 281.469 1.906 10 0 CDAERP C[NH2+]Cc1c(C)cc(C)nc1N1CCC[C@H]1C[NH+](C)C ZINC000061654188 522099153 /nfs/dbraw/zinc/09/91/53/522099153.db2.gz QPTJUVISOREOKJ-AWEZNQCLSA-N 2 0 276.428 1.948 10 0 CDAERP C[NH+](C)[C@H]1CCN([C@@H](C[NH3+])c2cccc3cccnc32)C1 ZINC000069502795 522103913 /nfs/dbraw/zinc/10/39/13/522103913.db2.gz BACUZSMQSLPBGA-HOCLYGCPSA-N 2 0 284.407 1.871 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)CCCCCC[NH3+])CC1 ZINC000055077944 522109861 /nfs/dbraw/zinc/10/98/61/522109861.db2.gz VZYXPBQZQQWXSX-CQSZACIVSA-N 2 0 269.433 1.838 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(CCCC[C@@](C)([NH2+]C)C(N)=O)CC1 ZINC000055071100 522117706 /nfs/dbraw/zinc/11/77/06/522117706.db2.gz KEXGBSMQKUEJHY-GDBMZVCRSA-N 2 0 298.475 1.036 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(CCCC[NH2+]CCOC)CC1 ZINC000055075334 522118496 /nfs/dbraw/zinc/11/84/96/522118496.db2.gz BVFSIDQBTDCFPY-OAHLLOKOSA-N 2 0 271.449 1.419 10 0 CDAERP CC[C@@H](C)[NH+]1CCN([C@H](C[NH3+])c2cccnc2)CC1 ZINC000055064060 522131759 /nfs/dbraw/zinc/13/17/59/522131759.db2.gz RSLNKHIJXORBON-UKRRQHHQSA-N 2 0 262.401 1.498 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(c2ncc(C[NH2+]C)s2)CC1 ZINC000055076190 522137982 /nfs/dbraw/zinc/13/79/82/522137982.db2.gz PKNVTQKRQHXLAC-LLVKDONJSA-N 2 0 268.430 1.783 10 0 CDAERP C[NH2+]Cc1cn(CC[N@H+](C)[C@@H](C)C(C)(C)C)nn1 ZINC000052504440 522142544 /nfs/dbraw/zinc/14/25/44/522142544.db2.gz LBDLJCTUUJLLLT-NSHDSACASA-N 2 0 253.394 1.364 10 0 CDAERP C[NH2+]Cc1coc(C[N@H+](CCCOC)CCOC)c1 ZINC000052543269 522149371 /nfs/dbraw/zinc/14/93/71/522149371.db2.gz FAZLMCYQKJKVRS-UHFFFAOYSA-N 2 0 270.373 1.484 10 0 CDAERP CC[C@H]([NH3+])[C@H](c1ccccn1)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000053205600 522343404 /nfs/dbraw/zinc/34/34/04/522343404.db2.gz GTRTUNFSYTYJSY-IJEWVQPXSA-N 2 0 276.428 1.886 10 0 CDAERP C[N@H+](CCCn1ccnc1)Cc1ccc(C[NH3+])cc1 ZINC000049327514 522803891 /nfs/dbraw/zinc/80/38/91/522803891.db2.gz XBULFQSZRYNIEG-UHFFFAOYSA-N 2 0 258.369 1.864 10 0 CDAERP CN(CC[NH+]1CCCC1)[C@@H](C[NH3+])C1CCCCC1 ZINC000063051253 522829701 /nfs/dbraw/zinc/82/97/01/522829701.db2.gz ISDIKLSYBCXECY-HNNXBMFYSA-N 2 0 253.434 1.922 10 0 CDAERP COCCC[NH2+]C[C@H](C)N1CCC[C@@H]1C[NH+](C)C ZINC000061655153 523373815 /nfs/dbraw/zinc/37/38/15/523373815.db2.gz VKRQKBMVOZKJGJ-UONOGXRCSA-N 2 0 257.422 1.027 10 0 CDAERP COCC[N@H+](CC1(C[NH2+]C2CC2)CCOCC1)C1CC1 ZINC000052183068 523688869 /nfs/dbraw/zinc/68/88/69/523688869.db2.gz VHBSQBOOCBTPEQ-UHFFFAOYSA-N 2 0 282.428 1.646 10 0 CDAERP COCC[NH+](CCOC)C[C@H]1CC[C@@H](C[NH2+]C(C)C)O1 ZINC000052571489 523715146 /nfs/dbraw/zinc/71/51/46/523715146.db2.gz CRNCSQHZULAWOX-LSDHHAIUSA-N 2 0 288.432 1.127 10 0 CDAERP COCC[N@H+](C[C@@H](C)C[NH2+]CC(C)C)[C@@H](C)COC ZINC000052572303 523728726 /nfs/dbraw/zinc/72/87/26/523728726.db2.gz IODRMNBACDIRBW-GJZGRUSLSA-N 2 0 274.449 1.851 10 0 CDAERP C[NH+]1CCC(C[NH2+]CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000052206124 523765414 /nfs/dbraw/zinc/76/54/14/523765414.db2.gz ULMJAPGNTAMWRL-HNNXBMFYSA-N 3 0 253.434 1.792 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CNC(=O)C1CCC(C[NH3+])CC1 ZINC000055162516 523796488 /nfs/dbraw/zinc/79/64/88/523796488.db2.gz QMZUGVZUKOBAHP-JXQTWKCFSA-N 2 0 267.417 1.352 10 0 CDAERP C[N@@H+]1CCCN(C(=O)CC[C@@H]2CCCC[NH2+]2)CC1 ZINC000050940838 523800860 /nfs/dbraw/zinc/80/08/60/523800860.db2.gz GRNMOLNEJCGWCB-ZDUSSCGKSA-N 2 0 253.390 1.073 10 0 CDAERP CN(C(=O)[C@@H](C[NH3+])c1ccccc1)[C@@H]1CCC[N@H+](C)C1 ZINC000061613431 523891808 /nfs/dbraw/zinc/89/18/08/523891808.db2.gz YODZECOYQRBZLH-CABCVRRESA-N 2 0 275.396 1.282 10 0 CDAERP CC[C@H](C)[NH+]1CCN(c2c(C[NH2+]C)c(C)nn2C)CC1 ZINC000055068728 523958920 /nfs/dbraw/zinc/95/89/20/523958920.db2.gz ABOFWCSHUBIOHX-LBPRGKRZSA-N 2 0 279.432 1.368 10 0 CDAERP C[N@H+]1[C@@H]2CC[C@H]1CC(NCC[NH+]1CCCCC1)C2 ZINC000049574432 524030681 /nfs/dbraw/zinc/03/06/81/524030681.db2.gz ZCKIXKAXMUZXHR-GOOCMWNKSA-N 2 0 251.418 1.687 10 0 CDAERP C[NH+](C)CC1CC[NH+](CC2(CO)CCOCC2)CC1 ZINC000052199608 524049151 /nfs/dbraw/zinc/04/91/51/524049151.db2.gz HVCVNDFDXCWESD-UHFFFAOYSA-N 2 0 270.417 1.049 10 0 CDAERP C[C@H](CC[NH+](C)C)[NH2+]C[C@H](O)c1ccc(F)c(F)c1 ZINC000049557336 524166241 /nfs/dbraw/zinc/16/62/41/524166241.db2.gz SVAQUYHXOVFSTR-YGRLFVJLSA-N 2 0 272.339 1.928 10 0 CDAERP C[C@@H]1CCC[C@@H](C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)[C@@H]1[NH3+] ZINC000055131560 524265616 /nfs/dbraw/zinc/26/56/16/524265616.db2.gz GCYKZPCCWBJEKS-AAVRWANBSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1[C@@H](CC[NH3+])c1ccccc1 ZINC000055017020 524344865 /nfs/dbraw/zinc/34/48/65/524344865.db2.gz ZVNYJJZPEYGQFZ-CFVMTHIKSA-N 2 0 275.396 1.662 10 0 CDAERP C[C@@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000061656202 524390881 /nfs/dbraw/zinc/39/08/81/524390881.db2.gz RBKATYHKPXQZBN-YIYPIFLZSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000055123273 524414820 /nfs/dbraw/zinc/41/48/20/524414820.db2.gz HTXOAWVBPFCAAD-OBJOEFQTSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCC[C@@H]1CCC[NH2+]1 ZINC000052764500 524568335 /nfs/dbraw/zinc/56/83/35/524568335.db2.gz DVYBGWFMAWHTTJ-UPJWGTAASA-N 2 0 253.390 1.104 10 0 CDAERP C[C@@H]1CC[C@@H]([NH3+])C[C@@H]1C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC000055141094 524602652 /nfs/dbraw/zinc/60/26/52/524602652.db2.gz AAFIIQKTWRCLNQ-MCIONIFRSA-N 2 0 281.444 1.693 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCC[C@@H]1C(=O)NCC(C)(C)[NH+](C)C ZINC000055141705 525088649 /nfs/dbraw/zinc/08/86/49/525088649.db2.gz RRLIHOVBOJTLOP-WOPDTQHZSA-N 2 0 255.406 1.206 10 0 CDAERP C[C@@H]1C[C@@H](C(=O)NCC(C)(C)[NH+](C)C)CC[C@@H]1[NH3+] ZINC000055141689 525185081 /nfs/dbraw/zinc/18/50/81/525185081.db2.gz VQLPSBRIBPNUSK-WOPDTQHZSA-N 2 0 255.406 1.206 10 0 CDAERP C[C@@H]1C[C@H](C(=O)N2CCC(C[NH+](C)C)CC2)CC[C@@H]1[NH3+] ZINC000055134893 525359203 /nfs/dbraw/zinc/35/92/03/525359203.db2.gz KYOAKANWXWWWQW-YUELXQCFSA-N 2 0 281.444 1.550 10 0 CDAERP C[C@@H]1C[C@H]([NH3+])CC[C@@H]1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000055132662 525417887 /nfs/dbraw/zinc/41/78/87/525417887.db2.gz SNQJDCTWSLRDDY-FMKPAKJESA-N 2 0 293.455 1.837 10 0 CDAERP Cc1nnc(N2CC[NH+](CC(C)C)CC2)c(C(N)=[NH2+])c1C ZINC000055079662 526359753 /nfs/dbraw/zinc/35/97/53/526359753.db2.gz ADUYCIIHNDPXAB-UHFFFAOYSA-N 2 0 290.415 1.156 10 0 CDAERP C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000182835054 536454030 /nfs/dbraw/zinc/45/40/30/536454030.db2.gz HQHRGUNNQWKSLC-CVEARBPZSA-N 2 0 287.407 1.548 10 0 CDAERP [NH3+]CCN1CC[NH+](CCCOc2ccccc2)CC1 ZINC000061815635 527186123 /nfs/dbraw/zinc/18/61/23/527186123.db2.gz IOTRZSOSLYFDBM-UHFFFAOYSA-N 2 0 263.385 1.032 10 0 CDAERP [NH3+]C[C@H]1CC[C@H](C[NH+]2CCN(c3ccc(F)cc3)CC2)O1 ZINC000052418213 527240419 /nfs/dbraw/zinc/24/04/19/527240419.db2.gz QIYLRQWYAFSIHT-HZPDHXFCSA-N 2 0 293.386 1.454 10 0 CDAERP [NH3+]Cc1cc(C(F)(F)F)ccc1N1CC[NH2+]CC1 ZINC000052861005 527247873 /nfs/dbraw/zinc/24/78/73/527247873.db2.gz BDVDBTASYMKFEZ-UHFFFAOYSA-N 2 0 259.275 1.574 10 0 CDAERP [NH3+]Cc1ccc(CN2CC[NH+](C3CCCC3)CC2)o1 ZINC000052573497 527252855 /nfs/dbraw/zinc/25/28/55/527252855.db2.gz OSWFDAMDINKPRO-UHFFFAOYSA-N 2 0 263.385 1.799 10 0 CDAERP [NH3+]Cc1ccc(NC(=O)NCC[NH+]2CCCCC2)cc1 ZINC000049575700 527256453 /nfs/dbraw/zinc/25/64/53/527256453.db2.gz MTNLEENNYNKBGP-UHFFFAOYSA-N 2 0 276.384 1.753 10 0 CDAERP NNc1cc(C[N@@H+]2CCC[C@H]2CCCO)cc[nH+]1 ZINC000052763246 527274396 /nfs/dbraw/zinc/27/43/96/527274396.db2.gz QZQKSLPKQNOQAL-LBPRGKRZSA-N 2 0 250.346 1.104 10 0 CDAERP CC[NH+]1CCC(CC[NH2+]Cc2cc(C)nn2C)CC1 ZINC000417948232 528968238 /nfs/dbraw/zinc/96/82/38/528968238.db2.gz UVMACTCWCJGAKH-UHFFFAOYSA-N 2 0 264.417 1.940 10 0 CDAERP CC1(C)CN(C(=O)[C@@H]([NH3+])Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000262073791 535341404 /nfs/dbraw/zinc/34/14/04/535341404.db2.gz SOTCHFFIMBRTSD-KBPBESRZSA-N 2 0 275.396 1.142 10 0 CDAERP CC[NH2+]CCNC(=O)NCCC1CC[NH+](CC)CC1 ZINC000417755253 535468218 /nfs/dbraw/zinc/46/82/18/535468218.db2.gz XFNLCGFXECWGKI-UHFFFAOYSA-N 2 0 270.421 1.017 10 0 CDAERP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000262674257 535547988 /nfs/dbraw/zinc/54/79/88/535547988.db2.gz QSRDJIMCXKZTLK-RBSFLKMASA-N 2 0 297.443 1.073 10 0 CDAERP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H]([NH3+])[C@@H]1C)CC(C)C ZINC000416951378 535657138 /nfs/dbraw/zinc/65/71/38/535657138.db2.gz IIBSJEZCCMXUIQ-ZNMIVQPWSA-N 2 0 298.475 1.874 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1NCCc2ccccc21 ZINC000423416654 536850509 /nfs/dbraw/zinc/85/05/09/536850509.db2.gz FXSKKHGEWARDOP-HOCLYGCPSA-N 2 0 277.412 1.217 10 0 CDAERP CC(C)[NH+]1CCC(N(C)C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000091548270 538421986 /nfs/dbraw/zinc/42/19/86/538421986.db2.gz BLWYAEXUHYIUFV-QWHCGFSZSA-N 2 0 267.417 1.445 10 0 CDAERP COC[C@@H](C)C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000668488895 538434426 /nfs/dbraw/zinc/43/44/26/538434426.db2.gz HAXXOJIYFVXTPP-WMLDXEAASA-N 2 0 292.423 1.625 10 0 CDAERP C[C@H]1CN(C[C@H](O)C[N@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000730079336 574851857 /nfs/dbraw/zinc/85/18/57/574851857.db2.gz SMGWNTPOTWXMJO-DOTOQJQBSA-N 2 0 291.439 1.115 10 0 CDAERP CC/C=C\CC[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001689887779 1175294256 /nfs/dbraw/zinc/29/42/56/1175294256.db2.gz PIMSTHSGCKCNOT-YVACAVLKSA-N 2 0 281.444 1.733 10 0 CDAERP CC(C)[NH+]1CCC([NH2+]CCC[C@H]2CCOC2=O)CC1 ZINC000872114045 620691759 /nfs/dbraw/zinc/69/17/59/620691759.db2.gz USHOXVLXJFVOBN-ZDUSSCGKSA-N 2 0 268.401 1.792 10 0 CDAERP C[N@@H+]1CC[C@](O)(CN[C@@H](c2ccccn2)C2CCC2)C1 ZINC000926173188 617441949 /nfs/dbraw/zinc/44/19/49/617441949.db2.gz IWRRKDUTOZHKPT-CVEARBPZSA-N 2 0 275.396 1.579 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccccc2)C12CCC2 ZINC000925533086 617465503 /nfs/dbraw/zinc/46/55/03/617465503.db2.gz JDPJCGWWCTYZNA-CFVMTHIKSA-N 2 0 276.380 1.286 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCCN1CC(F)F ZINC000926749594 617498213 /nfs/dbraw/zinc/49/82/13/617498213.db2.gz ARTLPDVYWXOULI-SXBYAPGRSA-N 2 0 287.398 1.646 10 0 CDAERP C[NH+]1CCN(C(C)(C)CN[C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925606159 617548977 /nfs/dbraw/zinc/54/89/77/617548977.db2.gz LZMXEGSYYCBKFO-OAHLLOKOSA-N 2 0 294.487 1.277 10 0 CDAERP CC1(C)[C@@H]([NH2+]C[C@]2(O)CCSC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925622342 617568646 /nfs/dbraw/zinc/56/86/46/617568646.db2.gz JXPAMKMSHIRXNP-OWTLIXCDSA-N 2 0 270.442 1.221 10 0 CDAERP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925813014 617758831 /nfs/dbraw/zinc/75/88/31/617758831.db2.gz QSGYQTXRDUOODP-YOEHRIQHSA-N 2 0 291.439 1.775 10 0 CDAERP C([NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)[C@]12C[C@H]1CCC2 ZINC000925880474 617961800 /nfs/dbraw/zinc/96/18/00/617961800.db2.gz LDNSJJALUUTZGI-LJIZCISZSA-N 2 0 264.413 1.923 10 0 CDAERP C[N@@H+]1C[C@@H]2CN(C[C@](C)(O)c3ccc(F)cc3)C[C@]2(C)C1 ZINC000933734782 617601025 /nfs/dbraw/zinc/60/10/25/617601025.db2.gz RKXBNTIRTGLGAQ-PVAVHDDUSA-N 2 0 292.398 1.917 10 0 CDAERP CC1(C)C[C@@H]([NH2+][C@H](CO)C[C@@H]2CCCO2)C[C@@H]([NH3+])C1 ZINC000925767855 617619274 /nfs/dbraw/zinc/61/92/74/617619274.db2.gz QRFDGMFTEBPPMQ-RFGFWPKPSA-N 2 0 270.417 1.412 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@]23CCCO3)C12CCC2 ZINC000925772858 617647920 /nfs/dbraw/zinc/64/79/20/617647920.db2.gz KHZTYQCBLFUSDY-BHPKHCPMSA-N 2 0 250.386 1.948 10 0 CDAERP CCO[C@@H]1COC[C@H]1[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925691560 617697836 /nfs/dbraw/zinc/69/78/36/617697836.db2.gz MJCBTRKIGNEFON-FDYHWXHSSA-N 2 0 256.390 1.286 10 0 CDAERP C[NH+]1C[C@]2(C)CN(CC[C@@H]3CCC[N@@H+]3C)C[C@@]2(C)C1 ZINC000931312553 617705530 /nfs/dbraw/zinc/70/55/30/617705530.db2.gz UGBUQGDDPNUUJJ-ARFHVFGLSA-N 2 0 265.445 1.744 10 0 CDAERP COc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc1O ZINC000925787236 617711711 /nfs/dbraw/zinc/71/17/11/617711711.db2.gz XUAFMOLYKXFHLT-MDZLAQPJSA-N 2 0 264.369 1.907 10 0 CDAERP CO[C@H](C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)C1CCC1 ZINC000852747994 617960850 /nfs/dbraw/zinc/96/08/50/617960850.db2.gz FNMJVTZSYSKJGX-HUUCEWRRSA-N 2 0 252.402 1.877 10 0 CDAERP c1[nH+]cn2cc(C[NH2+][C@@H]3CCOC34CCOCC4)ccc12 ZINC000926567369 618089111 /nfs/dbraw/zinc/08/91/11/618089111.db2.gz LINZZYPVDASIQO-OAHLLOKOSA-N 2 0 287.363 1.762 10 0 CDAERP c1ncn(CC2CC[NH+](CCC[NH2+]C3CC3)CC2)n1 ZINC000923373019 618324096 /nfs/dbraw/zinc/32/40/96/618324096.db2.gz LKTCACUBNBCEQN-UHFFFAOYSA-N 2 0 263.389 1.132 10 0 CDAERP CCOCC[C@H](O)C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000923426835 618332524 /nfs/dbraw/zinc/33/25/24/618332524.db2.gz HCQAPNPPKMEZGD-GJZGRUSLSA-N 2 0 270.417 1.240 10 0 CDAERP COC(=O)[C@@H]1[C@H](C[NH2+]C2CCC([NH+](C)C)CC2)C1(F)F ZINC000895034282 619211917 /nfs/dbraw/zinc/21/19/17/619211917.db2.gz QOOIWFHAOVJEOQ-QQFIATSDSA-N 2 0 290.354 1.503 10 0 CDAERP CCc1[nH]c(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1C(=O)OC ZINC000895187778 619440942 /nfs/dbraw/zinc/44/09/42/619440942.db2.gz NFAKQVJOJVUHDX-BJHJDKERSA-N 2 0 293.411 1.794 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+]C2C[C@H]3CCC[C@@H]3C2)CC1 ZINC000902814841 625468342 /nfs/dbraw/zinc/46/83/42/625468342.db2.gz REPNYBARZVRCIQ-CHWSQXEVSA-N 2 0 252.402 1.611 10 0 CDAERP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC000898841121 621895922 /nfs/dbraw/zinc/89/59/22/621895922.db2.gz LIHPYVJERMSDBX-KBPBESRZSA-N 2 0 281.444 1.707 10 0 CDAERP C[NH+](C)Cc1cccc(CNC(=O)C23CC[NH+](CC2)C3)c1 ZINC000900087810 622689438 /nfs/dbraw/zinc/68/94/38/622689438.db2.gz VFJPJKSDXYPTEO-UHFFFAOYSA-N 2 0 287.407 1.460 10 0 CDAERP CC[NH+](CC)CCC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC000900305008 622875494 /nfs/dbraw/zinc/87/54/94/622875494.db2.gz JCZBEHOMMUBQIP-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000900696287 623355977 /nfs/dbraw/zinc/35/59/77/623355977.db2.gz YPMCRPUDCYPOHJ-RDBSUJKOSA-N 2 0 267.417 1.460 10 0 CDAERP C[C@@H]1[C@H](NC(=O)Nc2cccc(C[NH+](C)C)c2)CC[N@@H+]1C ZINC000902928996 625649368 /nfs/dbraw/zinc/64/93/68/625649368.db2.gz OXSVPHRTOHSHNU-IUODEOHRSA-N 2 0 290.411 1.962 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN(C(=O)c3ccco3)CC2)C1 ZINC000903426046 625989200 /nfs/dbraw/zinc/98/92/00/625989200.db2.gz COZXIGMTYAZNSH-QWHCGFSZSA-N 2 0 277.368 1.165 10 0 CDAERP CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903432409 625990489 /nfs/dbraw/zinc/99/04/89/625990489.db2.gz AWLVOTIRQRMMSS-HZSPNIEDSA-N 2 0 267.417 1.175 10 0 CDAERP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000903464430 625994100 /nfs/dbraw/zinc/99/41/00/625994100.db2.gz NCONDOGBOIUIDN-QLFBSQMISA-N 3 0 269.433 1.156 10 0 CDAERP Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]C[C@H]2CCC[NH2+]2)cn1 ZINC000903463625 625996447 /nfs/dbraw/zinc/99/64/47/625996447.db2.gz HDCDMIWCMIMSJR-KFWWJZLASA-N 2 0 262.401 1.473 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C[C@@H]2C[NH2+]C[C@H]2C)C[C@@H]1C ZINC000903443631 625997636 /nfs/dbraw/zinc/99/76/36/625997636.db2.gz FWUGFJDLTFFOSV-QPSCCSFWSA-N 2 0 253.434 1.647 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000903453098 626001018 /nfs/dbraw/zinc/00/10/18/626001018.db2.gz ZCVBYPKFKNOMQY-IVMMDQJWSA-N 2 0 277.387 1.628 10 0 CDAERP [NH3+][C@@H]1CC[C@H](CN2CCCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000903453724 626001539 /nfs/dbraw/zinc/00/15/39/626001539.db2.gz JUAODMMTSFOMMV-YJNKXOJESA-N 2 0 251.418 1.720 10 0 CDAERP CO[C@@H]1CC[C@@H]2OCCN(C[C@@H]3C[NH2+]C[C@H]3C)[C@H]2C1 ZINC000903456288 626002338 /nfs/dbraw/zinc/00/23/38/626002338.db2.gz FSVITCYNOJDQSU-SEBNEYGDSA-N 2 0 268.401 1.110 10 0 CDAERP [NH3+][C@@H]1CC[C@H](CN2CCNC(=O)[C@@H]2c2ccccc2F)C1 ZINC000903455970 626002387 /nfs/dbraw/zinc/00/23/87/626002387.db2.gz ANIMERRYGVKXRN-ZOWXZIJZSA-N 2 0 291.370 1.426 10 0 CDAERP CO[C@@H]1CC[C@H]2OCC[N@H+](C[C@@H]3CC[C@H]([NH3+])C3)[C@H]2C1 ZINC000903457446 626002722 /nfs/dbraw/zinc/00/27/22/626002722.db2.gz STENIEPRADMMCQ-QKGCVVFFSA-N 2 0 268.401 1.382 10 0 CDAERP [NH3+]CCOCC[N@@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000903490644 626010665 /nfs/dbraw/zinc/01/06/65/626010665.db2.gz BPOQYDYKITXMSW-SECBINFHSA-N 2 0 270.270 1.328 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cncc(C)c1)C2 ZINC000903494298 626011340 /nfs/dbraw/zinc/01/13/40/626011340.db2.gz BGUXNHPNVSFXBT-LZWOXQAQSA-N 2 0 289.379 1.102 10 0 CDAERP C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496496 626012139 /nfs/dbraw/zinc/01/21/39/626012139.db2.gz PSVHOVCMPQSBIP-JJCQNKCGSA-N 2 0 295.471 1.987 10 0 CDAERP C(C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)OC1CCSCC1 ZINC000903746820 626071459 /nfs/dbraw/zinc/07/14/59/626071459.db2.gz LOZDXEZWHRZCJU-HNNXBMFYSA-N 2 0 284.469 1.974 10 0 CDAERP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@@H+]1CCOCC2(CCC2)C1 ZINC000903759486 626081056 /nfs/dbraw/zinc/08/10/56/626081056.db2.gz QIBJCCJKZGUVIL-GOEBONIOSA-N 2 0 280.412 1.258 10 0 CDAERP C(C1CC1)[C@H]1COCC[N@@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903788054 626094496 /nfs/dbraw/zinc/09/44/96/626094496.db2.gz BCBRNSZMCFHSQV-XHSDSOJGSA-N 2 0 280.412 1.256 10 0 CDAERP C(C1CC1)[C@H]1COCC[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903788283 626094855 /nfs/dbraw/zinc/09/48/55/626094855.db2.gz HOCVWJCHQKESRH-HOTGVXAUSA-N 2 0 294.439 1.646 10 0 CDAERP NC(=O)C[C@@H]1CCCC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903888484 626123648 /nfs/dbraw/zinc/12/36/48/626123648.db2.gz DBOWOSDPXWPSLZ-GSPSYOTPSA-N 2 0 265.401 1.247 10 0 CDAERP CCOC(=O)C1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903873872 626127966 /nfs/dbraw/zinc/12/79/66/626127966.db2.gz ZQFDJIJVIOUWMR-LQDVMPOASA-N 2 0 280.412 1.792 10 0 CDAERP CC(C)[N@H+](CCS(C)(=O)=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903899407 626137753 /nfs/dbraw/zinc/13/77/53/626137753.db2.gz ULZQNQYXUHKWOU-AGUYFDCRSA-N 2 0 288.457 1.272 10 0 CDAERP CC[C@@H]1CC[N@H+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903900149 626138251 /nfs/dbraw/zinc/13/82/51/626138251.db2.gz ZSJJDUWGIPXAJV-ZIAGYGMSSA-N 2 0 264.417 1.578 10 0 CDAERP C[C@H]1CC[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)CCS1 ZINC000903912943 626145648 /nfs/dbraw/zinc/14/56/48/626145648.db2.gz KOAPHOJUWBKFTQ-STQMWFEESA-N 2 0 295.456 1.530 10 0 CDAERP CCN1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1=O ZINC000903912895 626145666 /nfs/dbraw/zinc/14/56/66/626145666.db2.gz JSGFQBQOBBFDGP-AGUYFDCRSA-N 2 0 265.401 1.071 10 0 CDAERP C[C@@H]1CC2(CCC2)C[N@@H+]1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903918430 626146158 /nfs/dbraw/zinc/14/61/58/626146158.db2.gz ZJACKCUZFDNFGH-ZIAGYGMSSA-N 2 0 289.427 1.967 10 0 CDAERP Cc1nn(C)cc1[C@H](C)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903927014 626149096 /nfs/dbraw/zinc/14/90/96/626149096.db2.gz WSEAUWOZJXWNQT-HLVVYCRESA-N 2 0 262.401 1.910 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)C2CC(C)(C)C2)cnn1C ZINC000903929181 626149953 /nfs/dbraw/zinc/14/99/53/626149953.db2.gz BMIPRMBRKBLSMT-ZDUSSCGKSA-N 2 0 278.444 1.966 10 0 CDAERP CSC1CC[NH+](C[C@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903935670 626153746 /nfs/dbraw/zinc/15/37/46/626153746.db2.gz SDXPHDRAEGJPLP-ZDUSSCGKSA-N 2 0 296.484 1.673 10 0 CDAERP c1cnc(C2([NH2+]CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCC2)nc1 ZINC000903948969 626164122 /nfs/dbraw/zinc/16/41/22/626164122.db2.gz WXAFQAREKZZVCL-AGUYFDCRSA-N 2 0 272.396 1.976 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000903967028 626172219 /nfs/dbraw/zinc/17/22/19/626172219.db2.gz DRMSRLCDVDYHDH-OCCSQVGLSA-N 2 0 291.395 1.329 10 0 CDAERP CC(C)[N@H+](C)CCNC(=[NH2+])NC[C@H]1CCCS1 ZINC000905041422 626380930 /nfs/dbraw/zinc/38/09/30/626380930.db2.gz GLFISOOJNRHOOC-LLVKDONJSA-N 2 0 258.435 1.336 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=[NH2+])NC[C@H]1CCCS1 ZINC000905042618 626381771 /nfs/dbraw/zinc/38/17/71/626381771.db2.gz PMGCCXFUXWZEHR-VXGBXAGGSA-N 2 0 272.462 1.726 10 0 CDAERP C(=C\[C@@H]1CCC[NH2+]C1)\c1nc(CC2CC[NH2+]CC2)no1 ZINC000905307998 626757700 /nfs/dbraw/zinc/75/77/00/626757700.db2.gz DBRPRGYTNFJHRA-SCOBNMCVSA-N 2 0 276.384 1.625 10 0 CDAERP CC(C)[C@@H](c1nc(CC2CC[NH2+]CC2)no1)[C@H](C)[NH3+] ZINC000905309549 626758901 /nfs/dbraw/zinc/75/89/01/626758901.db2.gz YCJLTVJGOLIJCN-GXFFZTMASA-N 2 0 266.389 1.699 10 0 CDAERP C(c1noc([C@H]2C[C@@]23CCC[NH2+]C3)n1)C1CC[NH2+]CC1 ZINC000905309498 626758909 /nfs/dbraw/zinc/75/89/09/626758909.db2.gz WYOCBJKJPLSZKA-IUODEOHRSA-N 2 0 276.384 1.469 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)c1ccc(C[NH+](C)C)nc1 ZINC000911850105 629589205 /nfs/dbraw/zinc/58/92/05/629589205.db2.gz ZKLSRPSBYDTZCJ-OAHLLOKOSA-N 2 0 292.427 1.459 10 0 CDAERP O=C(CCCC[NH+]1CCCC1)N1CC([NH+]2CCCC2)C1 ZINC000912325418 629937110 /nfs/dbraw/zinc/93/71/10/629937110.db2.gz XJXXZWWDWWKVOT-UHFFFAOYSA-N 2 0 279.428 1.559 10 0 CDAERP C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC000912803467 630224483 /nfs/dbraw/zinc/22/44/83/630224483.db2.gz PJGMNLFZULQHMW-LSDHHAIUSA-N 2 0 293.455 1.661 10 0 CDAERP CC[C@@H](C(=O)N1CC[C@@H]([NH+]2CCC2)C1)[NH+](CC)CC ZINC000912914889 630283049 /nfs/dbraw/zinc/28/30/49/630283049.db2.gz AAMMWOSAHTXURH-KGLIPLIRSA-N 2 0 267.417 1.413 10 0 CDAERP C[N@H+](CC(=O)N1C[C@]2(C)C[NH+](C)C[C@]2(C)C1)C1CCC1 ZINC000913274970 630427692 /nfs/dbraw/zinc/42/76/92/630427692.db2.gz ROCRAFGLXTZNDD-IYBDPMFKSA-N 2 0 279.428 1.271 10 0 CDAERP O[C@@H](CCC1(O)CCC1)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000929698017 630708753 /nfs/dbraw/zinc/70/87/53/630708753.db2.gz XILGUGITFBWSFJ-HOTGVXAUSA-N 2 0 296.455 1.460 10 0 CDAERP C[N@H+](C[C@H]1CCC2(COC2)O1)C[C@H]1CCC[NH+](C)C1 ZINC000929699090 630709130 /nfs/dbraw/zinc/70/91/30/630709130.db2.gz DYYWBUBWCNVCLH-UONOGXRCSA-N 2 0 268.401 1.208 10 0 CDAERP C[N@@H+]1CC[C@@H]1CNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000925398943 630748405 /nfs/dbraw/zinc/74/84/05/630748405.db2.gz ITOKXFBDGSCRCA-OAHLLOKOSA-N 2 0 294.443 1.208 10 0 CDAERP C[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000914074206 631008893 /nfs/dbraw/zinc/00/88/93/631008893.db2.gz AGBDUIBEBMPWFP-KBUPBQIOSA-N 2 0 296.459 1.499 10 0 CDAERP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1NC1CC[NH+](CC3CC3)CC1)[NH2+]2 ZINC000925473248 632682689 /nfs/dbraw/zinc/68/26/89/632682689.db2.gz LGNBNMLGOJWWHO-SJWGOKEGSA-N 2 0 277.456 1.979 10 0 CDAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CNOC1 ZINC000925863488 782193003 /nfs/dbraw/zinc/19/30/03/782193003.db2.gz BZESSTSATQATHV-IMJJTQAJSA-N 2 0 275.396 1.390 10 0 CDAERP CCCC[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001698827132 1159057599 /nfs/dbraw/zinc/05/75/99/1159057599.db2.gz BRFYNFJUBODJAU-CYBMUJFWSA-N 2 0 269.433 1.707 10 0 CDAERP C[C@H](CNC(=O)CCC[NH+](C)C)[NH2+]CC1CCCC1 ZINC001266968805 1159029984 /nfs/dbraw/zinc/02/99/84/1159029984.db2.gz YWKUVCIMIMEOEA-CYBMUJFWSA-N 2 0 269.433 1.613 10 0 CDAERP CCCC[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001699407035 1159624202 /nfs/dbraw/zinc/62/42/02/1159624202.db2.gz GBYBBFDPAQUFMG-LBPRGKRZSA-N 2 0 255.406 1.365 10 0 CDAERP CC1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)CC(C)(C)[NH2+]1 ZINC001772481458 1161071688 /nfs/dbraw/zinc/07/16/88/1161071688.db2.gz GLVHZVDDIOOKEK-CQSZACIVSA-N 2 0 293.455 1.992 10 0 CDAERP Cn1ncc(CCC[NH2+][C@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)n1 ZINC000815640311 1164130039 /nfs/dbraw/zinc/13/00/39/1164130039.db2.gz UOXWZNJEPOPVMK-QLFBSQMISA-N 2 0 277.416 1.210 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+][C@H](C2CCC2)[C@H]2CCCO2)CC1 ZINC000866269156 1164760692 /nfs/dbraw/zinc/76/06/92/1164760692.db2.gz BPVXYBJXWFGVEW-HUUCEWRRSA-N 2 0 282.428 1.380 10 0 CDAERP CC[NH+]1CCC([NH2+]Cc2ccnc(-n3cncn3)c2)CC1 ZINC000866433518 1164781046 /nfs/dbraw/zinc/78/10/46/1164781046.db2.gz YEXOMQZOAINZKE-UHFFFAOYSA-N 2 0 286.383 1.236 10 0 CDAERP COc1coc(CN2CC[C@@](C[NH3+])(C(C)(C)C)C2)cc1=O ZINC000866705885 1164811577 /nfs/dbraw/zinc/81/15/77/1164811577.db2.gz IUJOOUPVOPNACM-INIZCTEOSA-N 2 0 294.395 1.845 10 0 CDAERP CC(C)(C)CCC[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866712935 1164813677 /nfs/dbraw/zinc/81/36/77/1164813677.db2.gz YOASLRMKOFYQMD-MCIONIFRSA-N 2 0 295.427 1.680 10 0 CDAERP C[NH+](C)[C@H]1CCCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC1 ZINC000870927413 1165235265 /nfs/dbraw/zinc/23/52/65/1165235265.db2.gz ZDLGKYBAIOCCSW-OSFYFWSMSA-N 2 0 265.401 1.057 10 0 CDAERP Cc1csc([C@H]2CC[N@H+](CCN3CC[NH2+]CC3)C2)n1 ZINC000872147085 1165386019 /nfs/dbraw/zinc/38/60/19/1165386019.db2.gz CXYSTDGDNPAOFV-ZDUSSCGKSA-N 2 0 280.441 1.146 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872304980 1165413808 /nfs/dbraw/zinc/41/38/08/1165413808.db2.gz PAEQWTOLBIBHIX-UPJWGTAASA-N 2 0 255.406 1.384 10 0 CDAERP CC[N@@H+]1CC[C@H]1C(=O)N1CCC(C)([NH+]2CCC2)CC1 ZINC001633141101 1166403295 /nfs/dbraw/zinc/40/32/95/1166403295.db2.gz RBAWDYQDPZICIP-ZDUSSCGKSA-N 2 0 265.401 1.167 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)[C@@H](C)CC[NH+](C)C ZINC001634955059 1166549847 /nfs/dbraw/zinc/54/98/47/1166549847.db2.gz GETZVTBKBHOHDZ-ZDUSSCGKSA-N 2 0 257.422 1.422 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]CCOC ZINC001566535992 1168323341 /nfs/dbraw/zinc/32/33/41/1168323341.db2.gz YOFCZLKKDSQTTD-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]CCCF)[NH+](C)C ZINC001567073017 1168547793 /nfs/dbraw/zinc/54/77/93/1168547793.db2.gz QVLIHXFQLRDBOM-VXGBXAGGSA-N 2 0 261.385 1.027 10 0 CDAERP CCCC[NH2+][C@H](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001567230590 1168632065 /nfs/dbraw/zinc/63/20/65/1168632065.db2.gz MHOLKDJQMRSJQW-UONOGXRCSA-N 2 0 269.433 1.613 10 0 CDAERP CCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001568108750 1169138496 /nfs/dbraw/zinc/13/84/96/1169138496.db2.gz YXRQLWMSPABRSO-RBSFLKMASA-N 2 0 281.444 1.898 10 0 CDAERP CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001649451776 1169250885 /nfs/dbraw/zinc/25/08/85/1169250885.db2.gz VJPGGKAAUCSYQT-ZIAGYGMSSA-N 2 0 269.433 1.706 10 0 CDAERP CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001568429574 1169284905 /nfs/dbraw/zinc/28/49/05/1169284905.db2.gz NUQOKDGXLJVMJP-GOEBONIOSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[NH2+]C[C@@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001569040901 1169608028 /nfs/dbraw/zinc/60/80/28/1169608028.db2.gz SBCPKQQPWGMXMY-CQSZACIVSA-N 2 0 269.433 1.755 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]CCCF)[NH+](C)C ZINC001569544344 1169918786 /nfs/dbraw/zinc/91/87/86/1169918786.db2.gz KLJNBLAGQONUPY-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP CCCCC[N@@H+]1CCC[C@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001569897253 1170030724 /nfs/dbraw/zinc/03/07/24/1170030724.db2.gz CYDCHRQLKHSXBP-INIZCTEOSA-N 2 0 299.459 1.071 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC2CC2)C1 ZINC001570364039 1170142884 /nfs/dbraw/zinc/14/28/84/1170142884.db2.gz MGKQKXHECCYYDV-OCCSQVGLSA-N 2 0 267.417 1.173 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCN1CC[NH+]2C[C@@H](F)C[C@H]2C1 ZINC001656384595 1171814911 /nfs/dbraw/zinc/81/49/11/1171814911.db2.gz RPUFKNJQTRAAPJ-IHRRRGAJSA-N 2 0 255.381 1.199 10 0 CDAERP COCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001661946633 1172471592 /nfs/dbraw/zinc/47/15/92/1172471592.db2.gz KFNDSVAQBZPLLP-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CCCCCF ZINC001662324698 1172529019 /nfs/dbraw/zinc/52/90/19/1172529019.db2.gz LQJHPDNDCGFHRM-ZDUSSCGKSA-N 2 0 287.423 1.562 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001662723393 1172587171 /nfs/dbraw/zinc/58/71/71/1172587171.db2.gz SVXYEPOKQOFTDF-HUUCEWRRSA-N 2 0 281.444 1.422 10 0 CDAERP CC/C=C\CC[N@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001663185439 1172653775 /nfs/dbraw/zinc/65/37/75/1172653775.db2.gz XMUWNBHTXVTZED-AWFCHZOYSA-N 2 0 293.455 1.733 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001690431521 1175470278 /nfs/dbraw/zinc/47/02/78/1175470278.db2.gz KWWHSJRQXSRRJY-OAHLLOKOSA-N 2 0 283.460 1.957 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[C@H]1CCC[NH+]1CCCF ZINC001690890515 1175602546 /nfs/dbraw/zinc/60/25/46/1175602546.db2.gz VLXYGOXWMSBQMU-LSDHHAIUSA-N 2 0 299.434 1.801 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+]CC1=CCCCC1 ZINC001699386970 1176345507 /nfs/dbraw/zinc/34/55/07/1176345507.db2.gz QBYMVOWNTQTDKT-CQSZACIVSA-N 2 0 281.444 1.923 10 0 CDAERP CC(C)CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001699598016 1176494352 /nfs/dbraw/zinc/49/43/52/1176494352.db2.gz PBRPGAGYEWREKK-HZPDHXFCSA-N 2 0 295.471 1.859 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](CCCCCF)C[C@@H]2C1 ZINC001699989774 1176708859 /nfs/dbraw/zinc/70/88/59/1176708859.db2.gz NIUHOEDRFPSBOW-GASCZTMLSA-N 2 0 299.434 1.468 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H](CC[NH2+]CCF)C2)C1 ZINC001700086132 1176743686 /nfs/dbraw/zinc/74/36/86/1176743686.db2.gz YSBVBKPDGKCISP-ZIAGYGMSSA-N 2 0 285.407 1.126 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001700326170 1176853356 /nfs/dbraw/zinc/85/33/56/1176853356.db2.gz KBBGIIUGPPJELU-AWEZNQCLSA-N 2 0 281.444 1.779 10 0 CDAERP CCCCC[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001700475843 1176965780 /nfs/dbraw/zinc/96/57/80/1176965780.db2.gz ZLCPETIPGJDPKQ-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CCCC[NH2+][C@H](C)[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CCO1 ZINC001700610519 1177036364 /nfs/dbraw/zinc/03/63/64/1177036364.db2.gz MHHMSYRJTOAUFP-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1C[C@H]([NH2+]CCCF)C1 ZINC001707092300 1177949976 /nfs/dbraw/zinc/94/99/76/1177949976.db2.gz TTXUIBPKTILIHK-KKUMJFAQSA-N 2 0 299.434 1.705 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH+](C)C/C=C\Cl)C1 ZINC001707408820 1178026258 /nfs/dbraw/zinc/02/62/58/1178026258.db2.gz NGCXJKRPJJGWKJ-ACVFHECNSA-N 2 0 287.835 1.519 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001712947689 1178260165 /nfs/dbraw/zinc/26/01/65/1178260165.db2.gz IJPNPQAJXHOKFN-MGPQQGTHSA-N 2 0 287.423 1.513 10 0 CDAERP CCCC[NH2+][C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001713108942 1178372846 /nfs/dbraw/zinc/37/28/46/1178372846.db2.gz OHBDSSGFLRUQMD-HZPDHXFCSA-N 2 0 293.455 1.613 10 0 CDAERP CC/C=C\CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001713205500 1178430918 /nfs/dbraw/zinc/43/09/18/1178430918.db2.gz MDJYZOJQGTYOFC-BKBHSOPASA-N 2 0 293.455 1.921 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001713208013 1178432810 /nfs/dbraw/zinc/43/28/10/1178432810.db2.gz YNEOXSDTVFKRQY-MCIONIFRSA-N 2 0 267.417 1.365 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001713239194 1178448659 /nfs/dbraw/zinc/44/86/59/1178448659.db2.gz SSRXTBWWYARQJT-CQSZACIVSA-N 2 0 281.444 1.566 10 0 CDAERP O=C(NC1CCC([NH2+]CCCF)CC1)C12CC[NH+](CC1)C2 ZINC001713291396 1178469714 /nfs/dbraw/zinc/46/97/14/1178469714.db2.gz JSOZIPAESZGMLF-UHFFFAOYSA-N 2 0 297.418 1.459 10 0 CDAERP CC(C)[NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001713328935 1178498708 /nfs/dbraw/zinc/49/87/08/1178498708.db2.gz VLUPTIHHBBJIDG-LBPRGKRZSA-N 2 0 255.406 1.364 10 0 CDAERP CN(CC[NH2+]CCC1CCCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001713663611 1178701649 /nfs/dbraw/zinc/70/16/49/1178701649.db2.gz LEMDGGFZBHDHIL-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001714016155 1178929064 /nfs/dbraw/zinc/92/90/64/1178929064.db2.gz CRVVGYVYZWAIET-KFWWJZLASA-N 2 0 279.428 1.531 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001714022007 1178931545 /nfs/dbraw/zinc/93/15/45/1178931545.db2.gz ZUJLFHWNMXIBSS-TUVASFSCSA-N 2 0 281.444 1.896 10 0 CDAERP C[C@H](F)CC[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001714152004 1178993449 /nfs/dbraw/zinc/99/34/49/1178993449.db2.gz VIPMAAWZTIUERX-UONOGXRCSA-N 2 0 299.434 1.705 10 0 CDAERP CC(C)CCC[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001714303865 1179075330 /nfs/dbraw/zinc/07/53/30/1179075330.db2.gz BVIWDPVPEYNWRI-KGLIPLIRSA-N 2 0 269.433 1.469 10 0 CDAERP CC[C@H](C)C[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001714308544 1179079444 /nfs/dbraw/zinc/07/94/44/1179079444.db2.gz GFVOAEVWACBCJH-STQMWFEESA-N 2 0 257.422 1.467 10 0 CDAERP O=C(CCC[NH+]1CCCC1)N1CC[C@H](C[NH2+]CCF)C1 ZINC001714386402 1179117616 /nfs/dbraw/zinc/11/76/16/1179117616.db2.gz WJAPMMOJEORACP-CQSZACIVSA-N 2 0 285.407 1.270 10 0 CDAERP CC/C=C\CC[N@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001714599480 1179253926 /nfs/dbraw/zinc/25/39/26/1179253926.db2.gz ONNFDBQMAHUDRX-XHPSBEMXSA-N 2 0 281.444 1.733 10 0 CDAERP CCOCC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001714608801 1179263173 /nfs/dbraw/zinc/26/31/73/1179263173.db2.gz DTGFAMAZPXZRTH-OAHLLOKOSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]CC2CC(C)(C)C2)CC[N@@H+]1C ZINC001714706599 1179348784 /nfs/dbraw/zinc/34/87/84/1179348784.db2.gz KIUQEXGDIACAPY-UKRRQHHQSA-N 2 0 295.471 1.811 10 0 CDAERP CC/C=C\CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001714992458 1179495747 /nfs/dbraw/zinc/49/57/47/1179495747.db2.gz PDDFANKOTJKQOZ-PVPAMPSESA-N 2 0 291.439 1.580 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@H](CC[NH2+]CCOC)C1)[NH+](C)C ZINC001715148093 1179564163 /nfs/dbraw/zinc/56/41/63/1179564163.db2.gz VVHYJJSKXHDZKF-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CCCF ZINC001715551426 1179713031 /nfs/dbraw/zinc/71/30/31/1179713031.db2.gz CZSXRNDMJIGFPI-QWHCGFSZSA-N 2 0 273.396 1.172 10 0 CDAERP CC(C)OCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001715664017 1179756867 /nfs/dbraw/zinc/75/68/67/1179756867.db2.gz VPTNIPQOSWQERE-LSDHHAIUSA-N 2 0 299.459 1.380 10 0 CDAERP C[C@H](CC[NH2+]CCC1CC1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001715683277 1179763175 /nfs/dbraw/zinc/76/31/75/1179763175.db2.gz NQISHBYRKGRMBG-UONOGXRCSA-N 2 0 281.444 1.613 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]C/C=C\Cl ZINC001715977255 1179958890 /nfs/dbraw/zinc/95/88/90/1179958890.db2.gz CUJINPPLQNPUHV-REPZICSESA-N 2 0 287.835 1.708 10 0 CDAERP C[C@H](CC[NH2+]C/C=C/Cl)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001716125669 1180058992 /nfs/dbraw/zinc/05/89/92/1180058992.db2.gz FDYYOSQKSHRDIR-SQMDOARZSA-N 2 0 273.808 1.318 10 0 CDAERP CC[C@H](F)C[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001716253869 1180121410 /nfs/dbraw/zinc/12/14/10/1180121410.db2.gz LIFXEIXQSWZDOH-OLZOCXBDSA-N 2 0 273.396 1.124 10 0 CDAERP CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001716485061 1180245941 /nfs/dbraw/zinc/24/59/41/1180245941.db2.gz NIVKRFFASODFAS-KBPBESRZSA-N 2 0 269.433 1.563 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@H]1CCCC[C@H]1C[NH2+]CCCF ZINC001716519636 1180264301 /nfs/dbraw/zinc/26/43/01/1180264301.db2.gz FHGVKEORYWASQM-GJZGRUSLSA-N 2 0 299.434 1.706 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+]CCC(C)C ZINC001716787621 1180414628 /nfs/dbraw/zinc/41/46/28/1180414628.db2.gz FKKPXQSDOPOAEX-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CCCC[NH2+][C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001717279007 1180602367 /nfs/dbraw/zinc/60/23/67/1180602367.db2.gz HATOXGNOUKQXGD-KGLIPLIRSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]CCOC1CCC1 ZINC001717442031 1180675081 /nfs/dbraw/zinc/67/50/81/1180675081.db2.gz PWCHZBVHQDNAEV-KBPBESRZSA-N 2 0 297.443 1.134 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@H]1C[C@H](C[NH2+]C/C=C\Cl)C1 ZINC001717646911 1180772296 /nfs/dbraw/zinc/77/22/96/1180772296.db2.gz RRCRZYFBLDCLAK-INJBESJKSA-N 2 0 287.835 1.565 10 0 CDAERP CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1C(C)C)[NH+](CC)CC ZINC001723458646 1181568115 /nfs/dbraw/zinc/56/81/15/1181568115.db2.gz SNNUXBAFKRTUIA-KBPBESRZSA-N 2 0 269.433 1.706 10 0 CDAERP COCCCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001723529247 1181584020 /nfs/dbraw/zinc/58/40/20/1181584020.db2.gz IJZRLHOLNNLHJO-CQSZACIVSA-N 2 0 297.443 1.136 10 0 CDAERP CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001725450136 1182005540 /nfs/dbraw/zinc/00/55/40/1182005540.db2.gz ADQVYEAHQPHLMI-HNNXBMFYSA-N 2 0 281.444 1.707 10 0 CDAERP COCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001725508540 1182030416 /nfs/dbraw/zinc/03/04/16/1182030416.db2.gz FQCBGBHHWFDXRB-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]CCCCCF)C1 ZINC001725788983 1182132520 /nfs/dbraw/zinc/13/25/20/1182132520.db2.gz ACNGKNGLQDJMPM-WLYUNCDWSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1CC1CC1 ZINC001731840358 1182618603 /nfs/dbraw/zinc/61/86/03/1182618603.db2.gz AKCXZSHNENPWAP-AWEZNQCLSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]CCCC2CCC2)C1 ZINC001731952435 1182697601 /nfs/dbraw/zinc/69/76/01/1182697601.db2.gz OSAGEDKBACVWKZ-HNNXBMFYSA-N 2 0 295.471 1.957 10 0 CDAERP CC/C=C/CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001732353060 1182922076 /nfs/dbraw/zinc/92/20/76/1182922076.db2.gz BXPXJOADWQHDKJ-XEVLESSRSA-N 2 0 281.444 1.779 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001732495881 1182989485 /nfs/dbraw/zinc/98/94/85/1182989485.db2.gz OQNRGQFANSPDKM-GJZGRUSLSA-N 2 0 293.455 1.709 10 0 CDAERP C[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CCF)CC1 ZINC001732623308 1183052752 /nfs/dbraw/zinc/05/27/52/1183052752.db2.gz YTPUCRWIMRCRRV-UONOGXRCSA-N 2 0 285.407 1.172 10 0 CDAERP CCN(CC[NH2+]CCC1CC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001732807913 1183133108 /nfs/dbraw/zinc/13/31/08/1183133108.db2.gz ULBWUDRRHWDUBW-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP CC[C@H](F)C[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001732854434 1183158797 /nfs/dbraw/zinc/15/87/97/1183158797.db2.gz ZHGQBOQMRNZMMS-AOPHHVFOSA-N 2 0 299.434 1.727 10 0 CDAERP CCC[NH2+]C/C=C/CNC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001732909377 1183180697 /nfs/dbraw/zinc/18/06/97/1183180697.db2.gz MSPRDYQOPXPAPG-ITKZLYELSA-N 2 0 264.373 1.260 10 0 CDAERP CC/C=C\CC[NH2+]C[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001732977769 1183214869 /nfs/dbraw/zinc/21/48/69/1183214869.db2.gz IAGHHEQXOBGTLS-JBZXTQMFSA-N 2 0 281.444 1.779 10 0 CDAERP CCCC[NH2+][C@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@@H]1C ZINC001733856447 1183551762 /nfs/dbraw/zinc/55/17/62/1183551762.db2.gz FBOQZDZYIGFXAI-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1[NH2+]CCCF ZINC001733859878 1183552373 /nfs/dbraw/zinc/55/23/73/1183552373.db2.gz GGXLZTYWXMCMMS-CABCVRRESA-N 2 0 299.434 1.659 10 0 CDAERP C[C@@H](CCC[NH2+]CCF)NC(=O)C1CC[NH+](C)CC1 ZINC001734250884 1183704401 /nfs/dbraw/zinc/70/44/01/1183704401.db2.gz LDMPPXTUFAVOCN-LBPRGKRZSA-N 2 0 273.396 1.172 10 0 CDAERP CC(C)OCC[NH2+]C1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001734602784 1183842670 /nfs/dbraw/zinc/84/26/70/1183842670.db2.gz QKVPVDIMLCMJLL-UHFFFAOYSA-N 2 0 297.443 1.086 10 0 CDAERP [NH2+]=C(NCCC[NH+]1CCCCC1)NCCC1CC1 ZINC000864450094 1164544141 /nfs/dbraw/zinc/54/41/41/1164544141.db2.gz DVPOLDHNGITOHL-UHFFFAOYSA-N 2 0 252.406 1.776 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)CCC23CC(C2)C[NH2+]3)C1 ZINC000870875354 1165226406 /nfs/dbraw/zinc/22/64/06/1165226406.db2.gz LABIIKCIYBROJF-UQPPLGOBSA-N 2 0 293.455 1.755 10 0 CDAERP C[C@H]1C[C@H](N(C)C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC[N@@H+]1C ZINC000870893442 1165229034 /nfs/dbraw/zinc/22/90/34/1165229034.db2.gz VQSNVNJVBUMSEL-REWJHTLYSA-N 2 0 267.417 1.445 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000870994847 1165250756 /nfs/dbraw/zinc/25/07/56/1165250756.db2.gz WJPJODKUFPHNMU-DOMZBBRYSA-N 2 0 267.417 1.352 10 0 CDAERP CC(C)[C@H](C(=O)NC1CCC(C)([NH+](C)C)CC1)[NH+](C)C ZINC000871358404 1165294797 /nfs/dbraw/zinc/29/47/97/1165294797.db2.gz UFLOAJFRQVNACY-NPCAHTBFSA-N 2 0 283.460 1.952 10 0 CDAERP O=C1CC2(CCC2)[N@H+](CCC2CC[NH2+]CC2)CCN1 ZINC000872157326 1165387805 /nfs/dbraw/zinc/38/78/05/1165387805.db2.gz KFBAYQKKRLTKJH-UHFFFAOYSA-N 2 0 265.401 1.121 10 0 CDAERP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H](O)C[C@@](C)(O)C2CC2)CC1 ZINC000872201292 1165392989 /nfs/dbraw/zinc/39/29/89/1165392989.db2.gz VPSXSGXIDPRMOA-DOTOQJQBSA-N 2 0 298.471 1.751 10 0 CDAERP CC[N@H+](C)[C@H]1CCN(C(=O)NCC[C@@H]2CCC[NH+](C)C2)C1 ZINC001364286842 1167529574 /nfs/dbraw/zinc/52/95/74/1167529574.db2.gz JHTHMFGKPGBXBV-GJZGRUSLSA-N 2 0 296.459 1.454 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001645893770 1167557111 /nfs/dbraw/zinc/55/71/11/1167557111.db2.gz XZQKEUHJIXPTLE-BZUAXINKSA-N 2 0 293.455 1.838 10 0 CDAERP COCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001570642390 1167580449 /nfs/dbraw/zinc/58/04/49/1167580449.db2.gz TYALUUOUQNQRPK-UONOGXRCSA-N 2 0 299.459 1.236 10 0 CDAERP C[C@@H](O)C[N@H+](C)CCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001566454348 1168283372 /nfs/dbraw/zinc/28/33/72/1168283372.db2.gz RTPRQWHBZCUSTE-CQSZACIVSA-N 2 0 299.459 1.070 10 0 CDAERP CC[C@@H](F)C[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001566516751 1168318390 /nfs/dbraw/zinc/31/83/90/1168318390.db2.gz WYRWBNGXQVSNQD-QWHCGFSZSA-N 2 0 273.396 1.124 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CC[NH+](CCCCCF)C2)C1 ZINC001566677495 1168384326 /nfs/dbraw/zinc/38/43/26/1168384326.db2.gz PGNDQUVLKUEKAF-GJZGRUSLSA-N 2 0 299.434 1.659 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CC[NH+](CCCCCF)C2)C1 ZINC001566677494 1168384199 /nfs/dbraw/zinc/38/41/99/1168384199.db2.gz PGNDQUVLKUEKAF-CABCVRRESA-N 2 0 299.434 1.659 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001566678607 1168386296 /nfs/dbraw/zinc/38/62/96/1168386296.db2.gz AXOHPHFWODKYCP-NHZBNJEXSA-N 2 0 291.439 1.629 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001566933982 1168472995 /nfs/dbraw/zinc/47/29/95/1168472995.db2.gz FVCVYWHFUINSSC-KBPBESRZSA-N 2 0 267.417 1.461 10 0 CDAERP [NH3+]CC[C@@H]1CCC[N@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000232148528 912536521 /nfs/dbraw/zinc/53/65/21/912536521.db2.gz XKFQPLJNNUHOBQ-GJZGRUSLSA-N 2 0 254.418 1.988 10 0 CDAERP CCOCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001282389812 894139955 /nfs/dbraw/zinc/13/99/55/894139955.db2.gz ALRXLIJVUATTBW-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP C[NH+](C)CCCCC(=O)NC[C@H]1CCC[N@@H+]1CC1CC1 ZINC001266489147 895042537 /nfs/dbraw/zinc/04/25/37/895042537.db2.gz XLIJVPWJCULCJU-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP C[NH+](C)CCOCC[NH2+]C[C@@H](O)c1cc(F)ccc1F ZINC000234249423 895633513 /nfs/dbraw/zinc/63/35/13/895633513.db2.gz WNSXEUDWJVJXIP-CQSZACIVSA-N 2 0 288.338 1.166 10 0 CDAERP C[N@H+](C[C@H]1CC[C@@H](C(F)(F)F)O1)C1CC([NH3+])C1 ZINC000721458902 895714706 /nfs/dbraw/zinc/71/47/06/895714706.db2.gz MHNNWPSOMUQOBY-BMNUFHGDSA-N 2 0 252.280 1.518 10 0 CDAERP CN1C[C@H](CC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1=O ZINC000723539890 895989294 /nfs/dbraw/zinc/98/92/94/895989294.db2.gz OBUXPIIEPRKRLC-KCPJHIHWSA-N 2 0 273.380 1.589 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001266786383 896049905 /nfs/dbraw/zinc/04/99/05/896049905.db2.gz HCFYDNSIBCLLNK-GOEBONIOSA-N 2 0 293.455 1.566 10 0 CDAERP C[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1CC[NH3+] ZINC000723899565 896260750 /nfs/dbraw/zinc/26/07/50/896260750.db2.gz FCDXVFPKUBBLBE-BBBLOLIVSA-N 2 0 254.296 1.216 10 0 CDAERP Cc1csc(=O)n1CC[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723902541 896260818 /nfs/dbraw/zinc/26/08/18/896260818.db2.gz PUMAPFOLFXEPTH-ZYHUDNBSSA-N 2 0 269.414 1.135 10 0 CDAERP CCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723906984 896264681 /nfs/dbraw/zinc/26/46/81/896264681.db2.gz ZWHUVSJFXIJWRT-JHJVBQTASA-N 2 0 255.406 1.208 10 0 CDAERP CCC[N@H+](C[C@@H]1C[C@@H]2COC[C@@H]2O1)C1CC[NH2+]CC1 ZINC000724577522 896948845 /nfs/dbraw/zinc/94/88/45/896948845.db2.gz LHHOTGZBNKYMBO-SNPRPXQTSA-N 2 0 268.401 1.254 10 0 CDAERP C[C@H]([NH2+]CCCF)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001267222132 897200034 /nfs/dbraw/zinc/20/00/34/897200034.db2.gz GWTAFKJHCQUKNF-AWEZNQCLSA-N 2 0 299.434 1.659 10 0 CDAERP CC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001267299046 897508248 /nfs/dbraw/zinc/50/82/48/897508248.db2.gz WFBOPWOLFRTSLY-ZDUSSCGKSA-N 2 0 267.417 1.319 10 0 CDAERP C(C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)O[C@@H]1CCOC1 ZINC000724929700 897554245 /nfs/dbraw/zinc/55/42/45/897554245.db2.gz DFJGWSVKKAEKTJ-HUUCEWRRSA-N 2 0 268.401 1.256 10 0 CDAERP CC(C)C[C@H](CN[C@H]1C[C@H]([NH3+])C12CCC2)[NH+](C)C ZINC000405298977 897584074 /nfs/dbraw/zinc/58/40/74/897584074.db2.gz ILJGTTKKMHNNNJ-RDBSUJKOSA-N 2 0 253.434 1.822 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]CCC(=O)N2CCCCC2)C12CCC2 ZINC000405314006 897588284 /nfs/dbraw/zinc/58/82/84/897588284.db2.gz QKCUJAANYKVHIQ-OLZOCXBDSA-N 2 0 265.401 1.249 10 0 CDAERP CN(CC[NH2+]CC1CC1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001267410074 897865265 /nfs/dbraw/zinc/86/52/65/897865265.db2.gz WNDIPRVURBWCSG-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CC[C@@H](C[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C(C)C)OC ZINC001481070116 898728753 /nfs/dbraw/zinc/72/87/53/898728753.db2.gz GWJRKHXPQRQCGU-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)OCCC[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001267772013 899673071 /nfs/dbraw/zinc/67/30/71/899673071.db2.gz RIOWFDPTWSUANY-HNNXBMFYSA-N 2 0 299.459 1.286 10 0 CDAERP CC1(C)C[C@@H]([NH2+][C@@H]2CCn3ccnc3C2)C[C@@H]([NH3+])C1 ZINC000925643393 899955028 /nfs/dbraw/zinc/95/50/28/899955028.db2.gz IKJIMVFLUGQSHC-UPJWGTAASA-N 2 0 262.401 1.694 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]CCC(F)(F)F ZINC001268013806 900293839 /nfs/dbraw/zinc/29/38/39/900293839.db2.gz FKUFLSXLPBLTHW-QWRGUYRKSA-N 2 0 295.349 1.232 10 0 CDAERP COC(=O)C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)[C@@H]1C ZINC000925784761 901146924 /nfs/dbraw/zinc/14/69/24/901146924.db2.gz KSXYRTCVPGCJBF-PEBLQZBPSA-N 2 0 268.401 1.409 10 0 CDAERP C[C@@H](CC[NH2+]C/C=C\Cl)NC(=O)C[N@H+](C)C1CCC1 ZINC001268372946 901955237 /nfs/dbraw/zinc/95/52/37/901955237.db2.gz NIDNJYMVOXCFPM-LDJOOVGUSA-N 2 0 287.835 1.708 10 0 CDAERP C[C@H](CC[NH2+]C/C=C\Cl)NC(=O)C[N@H+](C)C1CCC1 ZINC001268372945 901955286 /nfs/dbraw/zinc/95/52/86/901955286.db2.gz NIDNJYMVOXCFPM-HXUAIIEXSA-N 2 0 287.835 1.708 10 0 CDAERP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)CC[NH2+]CC1 ZINC000925879551 901976742 /nfs/dbraw/zinc/97/67/42/901976742.db2.gz HWTWXBCWRWYVSP-MJBXVCDLSA-N 3 0 297.443 1.025 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cc(C)on1)[NH+](C)C ZINC001268406375 902007853 /nfs/dbraw/zinc/00/78/53/902007853.db2.gz WQQSMQYBUTVANZ-FZMZJTMJSA-N 2 0 296.415 1.308 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CCF ZINC001268426568 902042489 /nfs/dbraw/zinc/04/24/89/902042489.db2.gz PRDWQAPQMHJOCH-OLZOCXBDSA-N 2 0 273.396 1.315 10 0 CDAERP CCN(CC[NH2+]Cc1ccsc1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268470957 902246540 /nfs/dbraw/zinc/24/65/40/902246540.db2.gz JFMZTWDGVHNWTB-CQSZACIVSA-N 2 0 295.452 1.780 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccccc1 ZINC001268520593 902498499 /nfs/dbraw/zinc/49/84/99/902498499.db2.gz DGFQBMWDQAVTHY-KJPDOMRESA-N 2 0 287.407 1.543 10 0 CDAERP CC(C)C[NH2+]C[C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001482109969 902652243 /nfs/dbraw/zinc/65/22/43/902652243.db2.gz LAUBHXTUYONHFI-LSDHHAIUSA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)C[NH2+]C/C=C\CNC(=O)C1(C[NH+](C)C)CC1 ZINC001268580486 902665023 /nfs/dbraw/zinc/66/50/23/902665023.db2.gz BMWGMQUHSLRGHM-WAYWQWQTSA-N 2 0 267.417 1.246 10 0 CDAERP CC(C)=CC[NH2+]C/C=C/CNC(=O)C[N@@H+](C)C(C)C ZINC001268630481 902844823 /nfs/dbraw/zinc/84/48/23/902844823.db2.gz LHPXQJQXBUKNMP-VOTSOKGWSA-N 2 0 267.417 1.555 10 0 CDAERP C[C@H](C[NH2+]CCC(F)(F)F)NC(=O)C1CC[NH+](C)CC1 ZINC001268660635 902914299 /nfs/dbraw/zinc/91/42/99/902914299.db2.gz TZTSDYYUKQRQGW-SNVBAGLBSA-N 2 0 295.349 1.375 10 0 CDAERP O=C(CC[N@H+]1CC[C@@H](F)C1)N1CCC[NH+]2CCC[C@@H]2C1 ZINC001361954313 903004896 /nfs/dbraw/zinc/00/48/96/903004896.db2.gz WOQUHXNEBGPSPV-ZIAGYGMSSA-N 2 0 283.391 1.117 10 0 CDAERP C[C@@H](F)CC[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268811325 903147281 /nfs/dbraw/zinc/14/72/81/903147281.db2.gz NTTDDWPHYAVGHG-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP CC(C)[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001269083103 903406233 /nfs/dbraw/zinc/40/62/33/903406233.db2.gz AOCHQTYNMGGNOU-ZIAGYGMSSA-N 2 0 267.417 1.364 10 0 CDAERP CC(C)[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001269443008 903812772 /nfs/dbraw/zinc/81/27/72/903812772.db2.gz PPHFASKOWDUFEY-UHFFFAOYSA-N 2 0 265.401 1.262 10 0 CDAERP CCCCC[NH+]1CC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001567829611 1169001329 /nfs/dbraw/zinc/00/13/29/1169001329.db2.gz CBNGVVSPJDZAIW-MRXNPFEDSA-N 2 0 293.455 1.566 10 0 CDAERP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000261957388 904576111 /nfs/dbraw/zinc/57/61/11/904576111.db2.gz OUKOGYZTDLQRSU-CABCVRRESA-N 2 0 252.402 1.879 10 0 CDAERP CC[C@@H](C(=O)NCC1=CCN(C/C=C\Cl)CC1)[NH+](C)C ZINC001284976500 904659810 /nfs/dbraw/zinc/65/98/10/904659810.db2.gz IRBNMWCGGIHCFC-PODYEWJSSA-N 2 0 299.846 1.827 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001270594855 904773295 /nfs/dbraw/zinc/77/32/95/904773295.db2.gz LATWYYZWTWUNFW-ZIAGYGMSSA-N 2 0 267.417 1.246 10 0 CDAERP C[C@@H](C[NH2+]CCF)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001482316896 904952792 /nfs/dbraw/zinc/95/27/92/904952792.db2.gz MMGGZQDYEWBYBH-LBPRGKRZSA-N 2 0 273.396 1.267 10 0 CDAERP CC(C)C[C@](C)(C[NH3+])NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262333794 906130131 /nfs/dbraw/zinc/13/01/31/906130131.db2.gz FTPCSEWFXZIXQM-SGMGOOAPSA-N 2 0 255.406 1.254 10 0 CDAERP CC(C)C[NH2+][C@@H](CNC(=O)CC[NH+](C)C)C(C)C ZINC001271891319 906941986 /nfs/dbraw/zinc/94/19/86/906941986.db2.gz DQONWCMQZKWSDB-ZDUSSCGKSA-N 2 0 257.422 1.325 10 0 CDAERP COCCC[N@H+](C)CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001482637099 908095897 /nfs/dbraw/zinc/09/58/97/908095897.db2.gz AOFWANKPQMEVPG-UHFFFAOYSA-N 2 0 299.459 1.145 10 0 CDAERP C[C@H](CC[NH2+]CCC(C)(C)C)NC(=O)CC[NH+](C)C ZINC001482866915 908445867 /nfs/dbraw/zinc/44/58/67/908445867.db2.gz CLWVVHRVFAYTHS-CYBMUJFWSA-N 2 0 271.449 1.859 10 0 CDAERP CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001483017762 908694523 /nfs/dbraw/zinc/69/45/23/908694523.db2.gz MFOZZRZZDUVCEP-YVACAVLKSA-N 2 0 279.428 1.675 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC/C=C\C[NH2+]Cc1ccsc1 ZINC001483097970 909336990 /nfs/dbraw/zinc/33/69/90/909336990.db2.gz OCRKBLDKIWVOQH-PLNGDYQASA-N 2 0 295.452 1.850 10 0 CDAERP C[C@H]1CC[NH2+][C@H](C(=O)N2CC[N@H+](C)C(C)(C)CC2)C1 ZINC000712680060 909575171 /nfs/dbraw/zinc/57/51/71/909575171.db2.gz ZHSNKBWENRFJSP-STQMWFEESA-N 2 0 267.417 1.317 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000713278437 909610441 /nfs/dbraw/zinc/61/04/41/909610441.db2.gz RJYUHMOVOBACPP-KNCOVGOOSA-N 2 0 277.412 1.201 10 0 CDAERP CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000714243708 909717246 /nfs/dbraw/zinc/71/72/46/909717246.db2.gz HFHHAWOWPOYWPC-DHGKCCLASA-N 2 0 286.441 1.072 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CCCS1(=O)=O ZINC000714370995 909729643 /nfs/dbraw/zinc/72/96/43/909729643.db2.gz FMLWVEJWPKYGOC-AVGNSLFASA-N 2 0 274.430 1.061 10 0 CDAERP CC(C)(C[NH3+])C1CC[NH+](CC(=O)NCC2CC2)CC1 ZINC000714449890 909741711 /nfs/dbraw/zinc/74/17/11/909741711.db2.gz XCMNCUCQOTXRTF-UHFFFAOYSA-N 2 0 267.417 1.210 10 0 CDAERP C[C@H](C[NH2+]CCC(C)(C)C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001483166878 909902026 /nfs/dbraw/zinc/90/20/26/909902026.db2.gz QESNTLLTWSQSLU-UONOGXRCSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@@H](NC(=O)CCC[NH+]1CCCCC1)[C@H](C)[NH2+]CCF ZINC001409440430 910403729 /nfs/dbraw/zinc/40/37/29/910403729.db2.gz BJORCUIEVWDTLE-UONOGXRCSA-N 2 0 287.423 1.705 10 0 CDAERP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)Cc1ccccn1 ZINC001409692428 910635646 /nfs/dbraw/zinc/63/56/46/910635646.db2.gz VAXBXPAHCDZNLK-CQSZACIVSA-N 2 0 290.411 1.114 10 0 CDAERP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)NCCCC[NH+]1CCOCC1 ZINC000165103874 911412548 /nfs/dbraw/zinc/41/25/48/911412548.db2.gz RJAQBYCLABQXMB-LSDHHAIUSA-N 2 0 297.443 1.123 10 0 CDAERP C[NH+](C)C[C@@](C)(O)C[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000227975009 911815770 /nfs/dbraw/zinc/81/57/70/911815770.db2.gz TVRBDHOFOLXLQR-CABCVRRESA-N 2 0 284.444 1.771 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)C2([NH+](C)C)CCCC2)CC[N@@H+]1C ZINC001433726872 911844226 /nfs/dbraw/zinc/84/42/26/911844226.db2.gz NTNUQGYHBWDMTB-ZIAGYGMSSA-N 2 0 281.444 1.802 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001483955715 915242211 /nfs/dbraw/zinc/24/22/11/915242211.db2.gz PODPHXVFPPPCNN-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP CC[N@H+](C)[C@@H](C(=O)N(C)CC[NH2+]CCF)c1ccccc1 ZINC001493759127 915554961 /nfs/dbraw/zinc/55/49/61/915554961.db2.gz FKRHPCMSDUCQRT-OAHLLOKOSA-N 2 0 295.402 1.697 10 0 CDAERP C[C@H](CC[NH2+]CC1CCCC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001272688897 916073103 /nfs/dbraw/zinc/07/31/03/916073103.db2.gz SWKPFBLAGNSAMF-UKRRQHHQSA-N 2 0 281.444 1.755 10 0 CDAERP CC1([NH2+]CCF)CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001484919779 916275219 /nfs/dbraw/zinc/27/52/19/916275219.db2.gz MPQRYEOXYAQOCH-UHFFFAOYSA-N 2 0 297.418 1.555 10 0 CDAERP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)NCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001123475351 936168159 /nfs/dbraw/zinc/16/81/59/936168159.db2.gz GNSXDWIVFGMIGX-ZNMIVQPWSA-N 2 0 294.443 1.112 10 0 CDAERP CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001485702790 917206480 /nfs/dbraw/zinc/20/64/80/917206480.db2.gz CCLWVEMPQKTHOA-AVGNSLFASA-N 2 0 255.406 1.077 10 0 CDAERP O[C@H]1CC[N@H+](Cc2ccc(CNCc3cnccn3)cc2)C1 ZINC000826940597 936452022 /nfs/dbraw/zinc/45/20/22/936452022.db2.gz DJMLTOCXRQYSET-KRWDZBQOSA-N 2 0 298.390 1.333 10 0 CDAERP C[NH+]1CCC(C[NH2+]C[C@H]2CCN2C(C)(C)C)CC1 ZINC000690288583 918291816 /nfs/dbraw/zinc/29/18/16/918291816.db2.gz GSMOURXSOQFOMT-CQSZACIVSA-N 3 0 253.434 1.791 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH2+]C[C@H]1CCCCO1 ZINC001276399329 936616366 /nfs/dbraw/zinc/61/63/66/936616366.db2.gz LSZSTXJHZHBLKZ-OAHLLOKOSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]C[C@H]1CCCOC1 ZINC001485960738 920627446 /nfs/dbraw/zinc/62/74/46/920627446.db2.gz LADANHLFYQGOFQ-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001486137382 920742912 /nfs/dbraw/zinc/74/29/12/920742912.db2.gz VEPPKWVYHJDYGP-KBPBESRZSA-N 2 0 269.433 1.706 10 0 CDAERP CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC001486240169 920835457 /nfs/dbraw/zinc/83/54/57/920835457.db2.gz JRNWBIUCNMTRCL-ZIAGYGMSSA-N 2 0 281.444 1.707 10 0 CDAERP CCC[N@H+](C)CC(=O)NC1(C2CC[NH+](CCF)CC2)CC1 ZINC001486490549 921063615 /nfs/dbraw/zinc/06/36/15/921063615.db2.gz UWAGQEBYZKCISC-UHFFFAOYSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)[C@@H](C(=O)NCC1=CC[N@H+](CC2CC2)CC1)[NH+](C)C ZINC001486519966 921095184 /nfs/dbraw/zinc/09/51/84/921095184.db2.gz YDLZGZVCXPSEAU-INIZCTEOSA-N 2 0 293.455 1.731 10 0 CDAERP Cc1cc([C@@H]([NH3+])CC(=O)N[C@H](C)CCC[NH3+])cc(Cl)n1 ZINC000834813023 936706773 /nfs/dbraw/zinc/70/67/73/936706773.db2.gz BOLGLMKJQYTVOR-SKDRFNHKSA-N 2 0 298.818 1.677 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1ccnc(Cl)c1 ZINC000706697196 923086070 /nfs/dbraw/zinc/08/60/70/923086070.db2.gz KDTLNGNITSICCU-UHFFFAOYSA-N 2 0 257.765 1.403 10 0 CDAERP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1C(F)(F)F ZINC000709798205 923224556 /nfs/dbraw/zinc/22/45/56/923224556.db2.gz FWMXCUNEFCTPNJ-IVZWLZJFSA-N 2 0 252.280 1.092 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2C[NH2+]CC2(C)C)C1 ZINC000711301863 923468717 /nfs/dbraw/zinc/46/87/17/923468717.db2.gz LVCLZJFQELZJHR-CHWSQXEVSA-N 2 0 267.417 1.175 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711355742 923511883 /nfs/dbraw/zinc/51/18/83/923511883.db2.gz RDXXURBKISQBPC-LBPRGKRZSA-N 2 0 255.406 1.032 10 0 CDAERP C[C@@H]1[C@H](NC(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)CC[N@@H+]1C ZINC000923169925 923599328 /nfs/dbraw/zinc/59/93/28/923599328.db2.gz FXNKORMSCWVQCS-FRRDWIJNSA-N 2 0 282.432 1.251 10 0 CDAERP C[C@@H]1[C@H](NC(=O)NC[C@H]2CC[NH+]2C(C)(C)C)CC[N@@H+]1C ZINC000923169927 923600418 /nfs/dbraw/zinc/60/04/18/923600418.db2.gz FXNKORMSCWVQCS-JHJVBQTASA-N 2 0 282.432 1.251 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)N[C@H]2CC[NH+](C(C)(C)C)C2)CC[N@@H+]1C ZINC000923189502 923610769 /nfs/dbraw/zinc/61/07/69/923610769.db2.gz HTYIKPSWKVEKIX-AGIUHOORSA-N 2 0 282.432 1.251 10 0 CDAERP C[C@@H](CC[NH2+]Cc1ccccn1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001649450765 1169260174 /nfs/dbraw/zinc/26/01/74/1169260174.db2.gz AJJOOPJPRVSGIH-DZGCQCFKSA-N 2 0 290.411 1.160 10 0 CDAERP C[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923306798 923724433 /nfs/dbraw/zinc/72/44/33/923724433.db2.gz QDWNIRPPAPPUSV-GDBMZVCRSA-N 2 0 290.407 1.248 10 0 CDAERP Cc1ccc(OCC[N@@H+](C)C[C@@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC000923301702 923725802 /nfs/dbraw/zinc/72/58/02/923725802.db2.gz MLHIMXLXHMISPA-INIZCTEOSA-N 2 0 290.407 1.684 10 0 CDAERP C[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)[C@@H](CCO)c1ccccc1 ZINC000923317098 923732908 /nfs/dbraw/zinc/73/29/08/923732908.db2.gz YRRQMQRPWSIDRZ-CVEARBPZSA-N 2 0 290.407 1.420 10 0 CDAERP CC[C@H]1C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCS1 ZINC000923318301 923734572 /nfs/dbraw/zinc/73/45/72/923734572.db2.gz YTMQJODBRXVECF-NEPJUHHUSA-N 2 0 256.415 1.192 10 0 CDAERP C(C[NH2+]C1CC1)CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000923324975 923746702 /nfs/dbraw/zinc/74/67/02/923746702.db2.gz OGXWLGNDFNGPRI-AWEZNQCLSA-N 2 0 251.418 1.546 10 0 CDAERP C[C@]1(c2cccc(F)c2)CC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923386366 923799867 /nfs/dbraw/zinc/79/98/67/923799867.db2.gz AYFDPXIJLKJJOY-VGWMRTNUSA-N 2 0 278.371 1.640 10 0 CDAERP CC(C)COC[C@H](O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000923415576 923821276 /nfs/dbraw/zinc/82/12/76/923821276.db2.gz USRCQJOFWMYJQZ-ZNMIVQPWSA-N 2 0 270.417 1.094 10 0 CDAERP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)C1 ZINC000923429262 923823418 /nfs/dbraw/zinc/82/34/18/923823418.db2.gz RYIXRDCNSFPVJL-AATLWQCWSA-N 2 0 282.281 1.203 10 0 CDAERP CO[C@@H]1COCC[C@@H]1[N@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923428393 923823861 /nfs/dbraw/zinc/82/38/61/923823861.db2.gz YBZGBFXFHARWBE-GWONACJQSA-N 2 0 282.428 1.643 10 0 CDAERP C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(F)cc2)C[C@H]1CC[NH3+] ZINC000923432203 923829026 /nfs/dbraw/zinc/82/90/26/923829026.db2.gz XRUXVDYTFOICMO-NFAWXSAZSA-N 2 0 296.386 1.482 10 0 CDAERP C[C@@]1([C@@H]2CCC[N@H+](CCC[NH2+]C3CC3)C2)COC(=O)N1 ZINC000923433064 923829087 /nfs/dbraw/zinc/82/90/87/923829087.db2.gz VWAUDHLBULDSJF-DOMZBBRYSA-N 2 0 281.400 1.339 10 0 CDAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](C[C@@H]1CC3(CCC3)CO1)CC2 ZINC000923443540 923832547 /nfs/dbraw/zinc/83/25/47/923832547.db2.gz FOGRCQMBIHRPHL-CABCVRRESA-N 2 0 294.439 1.775 10 0 CDAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](C[C@@H]1C[C@@H]3CCC[C@H]3O1)CC2 ZINC000923445602 923832612 /nfs/dbraw/zinc/83/26/12/923832612.db2.gz KQQPMARCRXCMCJ-YHUYYLMFSA-N 2 0 294.439 1.774 10 0 CDAERP C[C@H](c1ccccn1)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923449913 923841596 /nfs/dbraw/zinc/84/15/96/923841596.db2.gz DOUCZOIOOMVGST-KGLIPLIRSA-N 2 0 275.396 1.972 10 0 CDAERP Cc1ccc(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)nc1 ZINC000923453536 923844277 /nfs/dbraw/zinc/84/42/77/923844277.db2.gz XVLVPCTXSSMRFJ-HNNXBMFYSA-N 2 0 275.396 1.720 10 0 CDAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CC[C@@H]1CCCO1)CC2 ZINC000923451318 923844896 /nfs/dbraw/zinc/84/48/96/923844896.db2.gz MZHUMJLMCRUPFW-UONOGXRCSA-N 2 0 268.401 1.385 10 0 CDAERP [NH3+]C[C@H]1CC2(CO1)CCN(CCC[NH+]1CCCCC1)CC2 ZINC000923452319 923845767 /nfs/dbraw/zinc/84/57/67/923845767.db2.gz PXLQVHCKFUNDCH-MRXNPFEDSA-N 2 0 295.471 1.692 10 0 CDAERP Cc1ccc(SCCN2CC[NH2+]CC[NH2+]CC2)cc1C ZINC000923461523 923847779 /nfs/dbraw/zinc/84/77/79/923847779.db2.gz QMLYDMQEQIGCQQ-UHFFFAOYSA-N 2 0 293.480 1.890 10 0 CDAERP CCOC(=O)c1ncc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)s1 ZINC000923480150 923866912 /nfs/dbraw/zinc/86/69/12/923866912.db2.gz VXBCUTPYBDIIBF-SNVBAGLBSA-N 2 0 283.397 1.491 10 0 CDAERP Cc1cc(C)cc(OCCCN2CCC[C@@]([NH3+])(CO)C2)c1 ZINC000923485374 923872944 /nfs/dbraw/zinc/87/29/44/923872944.db2.gz WQGSSWYFKYQHRL-KRWDZBQOSA-N 2 0 292.423 1.858 10 0 CDAERP C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2)CC[C@@H]1C[NH3+] ZINC000923494441 923880982 /nfs/dbraw/zinc/88/09/82/923880982.db2.gz XOYYXKGDRSJRHB-UXIGCNINSA-N 2 0 266.360 1.776 10 0 CDAERP CC(C)Cc1noc(CN2CC[C@H](C[NH3+])[C@H](C)C2)n1 ZINC000923502155 923881930 /nfs/dbraw/zinc/88/19/30/923881930.db2.gz XQIPQWZEZDYLDK-VXGBXAGGSA-N 2 0 266.389 1.685 10 0 CDAERP C[C@@H]1C[N@H+](CCC(=O)NC2CCCC2)CC[C@@H]1C[NH3+] ZINC000923501058 923884299 /nfs/dbraw/zinc/88/42/99/923884299.db2.gz YWARMBGTGKPZIC-CHWSQXEVSA-N 2 0 267.417 1.352 10 0 CDAERP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1)NC1CC1 ZINC000923506916 923885765 /nfs/dbraw/zinc/88/57/65/923885765.db2.gz HKYIESZHHSNKDK-ZDUSSCGKSA-N 2 0 279.428 1.367 10 0 CDAERP C[C@H]1CN(CC(=O)Nc2ccc(F)cc2F)CC[C@H]1C[NH3+] ZINC000923506538 923886479 /nfs/dbraw/zinc/88/64/79/923886479.db2.gz FYCUBADQPKKWBC-QWRGUYRKSA-N 2 0 297.349 1.820 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)CC[NH+](C)C)C1 ZINC001142103634 936974909 /nfs/dbraw/zinc/97/49/09/936974909.db2.gz PYUILZQDQWUNKQ-KGLIPLIRSA-N 2 0 269.433 1.515 10 0 CDAERP CCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001410186016 925364560 /nfs/dbraw/zinc/36/45/60/925364560.db2.gz NZIPOXRNLODTEN-JYJNAYRXSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001410210311 925405410 /nfs/dbraw/zinc/40/54/10/925405410.db2.gz KUJZTGVTDSARJX-RBSFLKMASA-N 2 0 281.444 1.611 10 0 CDAERP CC[C@@H](F)C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001488535005 926624325 /nfs/dbraw/zinc/62/43/25/926624325.db2.gz PUSRVJDUZULFPF-MGPQQGTHSA-N 2 0 297.418 1.267 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H](CC)CNC(=O)C1CC[NH+](C)CC1 ZINC001495050874 926686272 /nfs/dbraw/zinc/68/62/72/926686272.db2.gz RVZZEQWPPYAUPA-ZIAGYGMSSA-N 2 0 287.423 1.561 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001488878179 926749072 /nfs/dbraw/zinc/74/90/72/926749072.db2.gz GLAUHBAMXPVVBO-FQUUOJAGSA-N 2 0 285.407 1.171 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001491548831 937106632 /nfs/dbraw/zinc/10/66/32/937106632.db2.gz PTUHCAUQMHGDOD-CHWSQXEVSA-N 2 0 287.423 1.703 10 0 CDAERP C[C@]1(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)CC[NH2+]C1 ZINC000843060989 937109533 /nfs/dbraw/zinc/10/95/33/937109533.db2.gz VYFVFBBKFQZJTJ-CVEARBPZSA-N 2 0 282.428 1.646 10 0 CDAERP CC[C@@H](C(=O)N1CCCCC[C@@H]([NH2+]CCCO)C1)[NH+](C)C ZINC001489239147 926851171 /nfs/dbraw/zinc/85/11/71/926851171.db2.gz ARSLWBJOBQOKST-CABCVRRESA-N 2 0 299.459 1.070 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]CCC(=O)NC2CCCCC2)C12CCC2 ZINC000925486313 926968487 /nfs/dbraw/zinc/96/84/87/926968487.db2.gz QNTABSOWXGYCEQ-ZIAGYGMSSA-N 2 0 279.428 1.685 10 0 CDAERP C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C[C@H]1CCCCO1 ZINC001490234461 927043799 /nfs/dbraw/zinc/04/37/99/927043799.db2.gz XHHNQSZRKPBBKV-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@H](F)C[N@H+](C)CCCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001490250436 927056209 /nfs/dbraw/zinc/05/62/09/927056209.db2.gz LASVYGHIJSFUIE-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP CCCCOC(=O)CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000843362471 937142924 /nfs/dbraw/zinc/14/29/24/937142924.db2.gz IIEKNLHJMSNMHF-PBWFPOADSA-N 2 0 268.401 1.935 10 0 CDAERP CC[N@@H+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001490549052 927211539 /nfs/dbraw/zinc/21/15/39/927211539.db2.gz VYIMWCWRQNRSHY-OLZOCXBDSA-N 2 0 253.390 1.071 10 0 CDAERP C[NH+](C)CCCC1CC[NH+](C[C@H]2CCC3(COC3)O2)CC1 ZINC000930146839 927236248 /nfs/dbraw/zinc/23/62/48/927236248.db2.gz XFAYBBVQMSJAIS-MRXNPFEDSA-N 2 0 296.455 1.988 10 0 CDAERP [NH3+]CCCCCCC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000843508740 937157815 /nfs/dbraw/zinc/15/78/15/937157815.db2.gz VQKYPZGXTBBTPU-MRXNPFEDSA-N 2 0 289.423 1.980 10 0 CDAERP O=C1CC[C@H](C[NH+]2CCC(C[NH+]3CCCC3)CC2)O1 ZINC000851727593 927614063 /nfs/dbraw/zinc/61/40/63/927614063.db2.gz RQBKBTFMEHLFTQ-CQSZACIVSA-N 2 0 266.385 1.500 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(OC)OC)[C@@H](C)C1 ZINC000851847228 927640884 /nfs/dbraw/zinc/64/08/84/927640884.db2.gz RCHCQQISHVFCJY-QWHCGFSZSA-N 2 0 258.406 1.658 10 0 CDAERP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]CCC[NH+](C)C)n(C)n1 ZINC000852658114 927838169 /nfs/dbraw/zinc/83/81/69/927838169.db2.gz VPYNXRYIHQGXMH-HOCLYGCPSA-N 2 0 278.444 1.981 10 0 CDAERP [NH3+]C1(CNC(=O)C=C2CC[NH2+]CC2)CCCCC1 ZINC000852789661 927870465 /nfs/dbraw/zinc/87/04/65/927870465.db2.gz CTWGEZPWAKODRR-UHFFFAOYSA-N 2 0 251.374 1.074 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000852854756 927896055 /nfs/dbraw/zinc/89/60/55/927896055.db2.gz OOIPVLWCMPIOTE-QGZVFWFLSA-N 2 0 299.418 1.687 10 0 CDAERP [NH3+]CCCN(Cc1ccccc1)C(=O)C=C1CC[NH2+]CC1 ZINC000852878933 927904481 /nfs/dbraw/zinc/90/44/81/927904481.db2.gz SMGVDNWGDVLENH-UHFFFAOYSA-N 2 0 287.407 1.674 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000852892925 927910533 /nfs/dbraw/zinc/91/05/33/927910533.db2.gz KBOGPYZBRMDTLP-CYBMUJFWSA-N 2 0 263.385 1.087 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000852908555 927915360 /nfs/dbraw/zinc/91/53/60/927915360.db2.gz JFBIDZQJQPIFPS-HNNXBMFYSA-N 2 0 291.439 1.819 10 0 CDAERP C[C@H](NC[C@]12OCCC[C@H]1C2(F)F)[C@@H]1CCCC[NH2+]1 ZINC000854228834 928173748 /nfs/dbraw/zinc/17/37/48/928173748.db2.gz DOOUUMLIXHRPDW-RVMXOQNASA-N 2 0 274.355 1.921 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000857253747 928687223 /nfs/dbraw/zinc/68/72/23/928687223.db2.gz RADLPMJMSFVRBB-NXEZZACHSA-N 2 0 269.216 1.914 10 0 CDAERP CC1(C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)CCC1 ZINC000863643860 929583870 /nfs/dbraw/zinc/58/38/70/929583870.db2.gz ZKPQKFMCLWCWLH-KGLIPLIRSA-N 2 0 293.411 1.434 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)CC[NH+](C)CC=C(C)C ZINC001568500585 1169333550 /nfs/dbraw/zinc/33/35/50/1169333550.db2.gz REQXOSSVLWCGLD-UHFFFAOYSA-N 2 0 269.433 1.685 10 0 CDAERP CC(C)=CC[NH+](C)CCN(C)C(=O)C[N@@H+](C)C(C)C ZINC001568506554 1169339617 /nfs/dbraw/zinc/33/96/17/1169339617.db2.gz QMQKGMOPGLOYTI-UHFFFAOYSA-N 2 0 269.433 1.683 10 0 CDAERP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]CC2(O)CCCCC2)CC1 ZINC000819173722 930767543 /nfs/dbraw/zinc/76/75/43/930767543.db2.gz MGOWMKZNIROXPF-HOTGVXAUSA-N 2 0 296.455 1.649 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CCCF ZINC001319455418 931205273 /nfs/dbraw/zinc/20/52/73/931205273.db2.gz SCWXQYBPOFPVIP-ZIAGYGMSSA-N 2 0 287.423 1.655 10 0 CDAERP CC[NH+](CC)CC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000844165108 931551415 /nfs/dbraw/zinc/55/14/15/931551415.db2.gz NWTUBCDZZQSVSC-UHFFFAOYSA-N 2 0 263.385 1.146 10 0 CDAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC000844193937 931555852 /nfs/dbraw/zinc/55/58/52/931555852.db2.gz PFJYLIIZNBIUQA-KBPBESRZSA-N 2 0 267.417 1.367 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC000844193940 931556639 /nfs/dbraw/zinc/55/66/39/931556639.db2.gz PFJYLIIZNBIUQA-ZIAGYGMSSA-N 2 0 267.417 1.367 10 0 CDAERP CC[C@H](C(=O)NC/C=C\C[NH2+]CC=C(C)C)[NH+](C)C ZINC001321335478 931608339 /nfs/dbraw/zinc/60/83/39/931608339.db2.gz HIMBODKYRBNUDV-WBTMPAOCSA-N 2 0 267.417 1.555 10 0 CDAERP CC(C)C[NH+]1CC2(C1)CCN(C(=O)C[N@H+](C)C(C)C)CC2 ZINC001444553472 931897407 /nfs/dbraw/zinc/89/74/07/931897407.db2.gz SZJZGWKJBGIXPO-UHFFFAOYSA-N 2 0 295.471 1.907 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CCC2CC2)[C@@H](C)C1 ZINC001447542138 932078621 /nfs/dbraw/zinc/07/86/21/932078621.db2.gz QDSCEWHFAFSGKH-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC001411901316 932133469 /nfs/dbraw/zinc/13/34/69/932133469.db2.gz MOZNFVNIEUNTDW-QLFBSQMISA-N 2 0 281.444 1.517 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC001411950780 932173530 /nfs/dbraw/zinc/17/35/30/932173530.db2.gz MSUSTVKWDCYPRO-UHFFFAOYSA-N 2 0 293.411 1.899 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N[C@]1(C)C[NH+]2CCC1CC2 ZINC001146874786 932350473 /nfs/dbraw/zinc/35/04/73/932350473.db2.gz VURKTRRAAGQLQW-SWLSCSKDSA-N 2 0 267.417 1.175 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)[C@H]([NH3+])C2CCCCC2)C1 ZINC001118286917 937612281 /nfs/dbraw/zinc/61/22/81/937612281.db2.gz MCMOMNSRUIFCIW-QWHCGFSZSA-N 2 0 253.390 1.104 10 0 CDAERP C(C[NH2+][C@@H]1CCOC12CCOCC2)C[NH+]1CCCCC1 ZINC000924583389 932801184 /nfs/dbraw/zinc/80/11/84/932801184.db2.gz YWNZRYWRRCXYJZ-OAHLLOKOSA-N 2 0 282.428 1.790 10 0 CDAERP COCC[N@H+](C)CCC[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000924653768 932809352 /nfs/dbraw/zinc/80/93/52/932809352.db2.gz MLEIQNVVIWITLV-WLYUNCDWSA-N 2 0 270.417 1.502 10 0 CDAERP O[C@H](C[NH2+][C@@H](C1CC1)C1CCOCC1)C[NH+]1CCCC1 ZINC000924758322 932818958 /nfs/dbraw/zinc/81/89/58/932818958.db2.gz URMBGUHFGHHSRK-CVEARBPZSA-N 2 0 282.428 1.238 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000924805672 932822256 /nfs/dbraw/zinc/82/22/56/932822256.db2.gz YLNULPTVQLFRBR-XFDYKOMQSA-N 2 0 278.371 1.789 10 0 CDAERP CC(C)[C@@H]1COCC[C@H]1[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000924962797 932837244 /nfs/dbraw/zinc/83/72/44/932837244.db2.gz CAIOHCQTANHGLX-OWCLPIDISA-N 2 0 283.460 1.273 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)CC1 ZINC000925110974 932852607 /nfs/dbraw/zinc/85/26/07/932852607.db2.gz BCJDMQFHJSRDNW-GJZGRUSLSA-N 2 0 282.428 1.238 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CSCCS1 ZINC000925242679 932863756 /nfs/dbraw/zinc/86/37/56/932863756.db2.gz LJQPLWRQXPFNSZ-FXJUQPSGSA-N 2 0 272.483 1.765 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000925327302 932873804 /nfs/dbraw/zinc/87/38/04/932873804.db2.gz OUTUHIMELLGQMJ-ILXRZTDVSA-N 2 0 296.459 1.452 10 0 CDAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000925493376 932893051 /nfs/dbraw/zinc/89/30/51/932893051.db2.gz XDLBFFMLHXCSGM-BZUAXINKSA-N 3 0 294.487 1.120 10 0 CDAERP C[C@H](CN1CCCC1=O)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925501913 932894097 /nfs/dbraw/zinc/89/40/97/932894097.db2.gz CTFRQBDCUIVANC-JHJVBQTASA-N 2 0 267.417 1.493 10 0 CDAERP CC1(C)[C@H]([NH2+]CCCOC[C@H]2CCOC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925523295 932898942 /nfs/dbraw/zinc/89/89/42/932898942.db2.gz RVOZRIVLOATJKA-LVQVYYBASA-N 2 0 296.455 1.796 10 0 CDAERP C[NH+](C)[C@@]1(CN[C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCSC1 ZINC000925531922 932900013 /nfs/dbraw/zinc/90/00/13/932900013.db2.gz SMTRKFCIAKYNTM-HLPPOEQASA-N 2 0 297.512 1.790 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCCN2CCCCC2=O)C1 ZINC000925549993 932903025 /nfs/dbraw/zinc/90/30/25/932903025.db2.gz OSBJJZSYTGTYSH-UONOGXRCSA-N 2 0 281.444 1.885 10 0 CDAERP CC1(C)[C@@H](N[C@@H]2CC[N@H+](CC3CC3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925555881 932904406 /nfs/dbraw/zinc/90/44/06/932904406.db2.gz IGOSDCWNWLYGLS-WCVJEAGWSA-N 2 0 277.456 1.837 10 0 CDAERP CSC1(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)CCOCC1 ZINC000925573332 932907582 /nfs/dbraw/zinc/90/75/82/932907582.db2.gz NARRDIOOWIYWFA-NWDGAFQWSA-N 2 0 270.442 1.758 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CC2(CS(C)(=O)=O)CC2)C1 ZINC000925575389 932908183 /nfs/dbraw/zinc/90/81/83/932908183.db2.gz GGGXVQPIDCHJCX-VXGBXAGGSA-N 2 0 288.457 1.307 10 0 CDAERP CC(C)[N@H+](C)CCCN[C@H]1CC[NH2+]C12CCCC2 ZINC000925607304 932913247 /nfs/dbraw/zinc/91/32/47/932913247.db2.gz UQKXFUUFANZEER-AWEZNQCLSA-N 2 0 253.434 1.981 10 0 CDAERP Cc1cccc(C[C@H](CO)[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925644616 932920006 /nfs/dbraw/zinc/92/00/06/932920006.db2.gz KKRWDDDWMYTEQJ-OAGGEKHMSA-N 2 0 274.408 1.758 10 0 CDAERP CC1(C)[C@H]([NH2+][C@@H]2CCC[C@H]2CCO)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925647447 932920675 /nfs/dbraw/zinc/92/06/75/932920675.db2.gz ZCJGILBYQKBDFE-VYDRJRHOSA-N 2 0 266.429 1.904 10 0 CDAERP OC[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)[C@H]1CCOC1 ZINC000925658721 932923150 /nfs/dbraw/zinc/92/31/50/932923150.db2.gz ZDHLYSNZFBGUBV-MWDXBVQZSA-N 2 0 296.455 1.389 10 0 CDAERP CC[NH+](CC)[C@H](C)CN[C@H]1CC[NH2+]C12CCCC2 ZINC000925663605 932923156 /nfs/dbraw/zinc/92/31/56/932923156.db2.gz UZGOVFUKJPLKJT-KGLIPLIRSA-N 2 0 253.434 1.981 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H]2CCc3nc[nH]c3C2)C1 ZINC000925669592 932924751 /nfs/dbraw/zinc/92/47/51/932924751.db2.gz VXIZDZRMIOPQRX-IJLUTSLNSA-N 2 0 262.401 1.763 10 0 CDAERP CC1(C)[C@@H]([NH2+]CC2CC[NH2+]CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925693283 932927534 /nfs/dbraw/zinc/92/75/34/932927534.db2.gz QZPAYVBNTVZKJN-RDBSUJKOSA-N 3 0 251.418 1.352 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)C1 ZINC000925711814 932930602 /nfs/dbraw/zinc/93/06/02/932930602.db2.gz SGFHJZXCYVXWHZ-JHJVBQTASA-N 3 0 251.418 1.624 10 0 CDAERP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cccc(-n2ccnn2)c1 ZINC000925783679 932939299 /nfs/dbraw/zinc/93/92/99/932939299.db2.gz GDGCLKOVTVPFNT-NFAWXSAZSA-N 2 0 285.395 1.773 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+]CC1CCC(S(C)(=O)=O)CC1 ZINC000925800971 932940338 /nfs/dbraw/zinc/94/03/38/932940338.db2.gz HRGPNOIWPZLTDL-IYXRBSQSSA-N 2 0 290.473 1.697 10 0 CDAERP Cn1nnc2c1C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)CC2 ZINC000925892434 932949880 /nfs/dbraw/zinc/94/98/80/932949880.db2.gz AYGWXDPNUPGYEX-CABCVRRESA-N 2 0 299.422 1.742 10 0 CDAERP CC(C)C[C@H]([NH2+][C@@H]1CO[C@@H](C)[C@@H]1C)C(=O)NCC[NH+](C)C ZINC000925952560 932954558 /nfs/dbraw/zinc/95/45/58/932954558.db2.gz JWEQQRCLXZVMHB-ZQDZILKHSA-N 2 0 299.459 1.092 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCC[C@@H]1CCO ZINC000926226535 932975689 /nfs/dbraw/zinc/97/56/89/932975689.db2.gz VZZKPDDKLREBSV-BUWKTABGSA-N 2 0 252.402 1.467 10 0 CDAERP CC[C@H]1COC[C@H]1[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000926687211 933014045 /nfs/dbraw/zinc/01/40/45/933014045.db2.gz WEQIMSGZYKWENR-SOUVJXGZSA-N 2 0 271.449 1.273 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CC2(CO1)CCOCC2 ZINC000926800104 933024827 /nfs/dbraw/zinc/02/48/27/933024827.db2.gz YFROKYVDEDJHMI-IUOOZAAYSA-N 2 0 294.439 1.502 10 0 CDAERP C[NH+](C)CC1CC[NH+](Cc2[nH]nc3c2COCC3)CC1 ZINC000929283091 933221379 /nfs/dbraw/zinc/22/13/79/933221379.db2.gz MTTKSKFNSUUHIP-UHFFFAOYSA-N 2 0 278.400 1.256 10 0 CDAERP C([C@@H]1CCC2(COC2)O1)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000929720061 933261988 /nfs/dbraw/zinc/26/19/88/933261988.db2.gz UXFNRRFIYJDYQN-CVEARBPZSA-N 2 0 294.439 1.742 10 0 CDAERP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H]2C[C@@H]3COC[C@H]3O2)C1 ZINC000929764512 933266026 /nfs/dbraw/zinc/26/60/26/933266026.db2.gz WGTWHRMINBNZPC-VVLHAWIVSA-N 2 0 294.439 1.454 10 0 CDAERP O[C@H](C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)C1(O)CCC1 ZINC000930060524 933305249 /nfs/dbraw/zinc/30/52/49/933305249.db2.gz KQQJTIURMQNCJE-FVQBIDKESA-N 2 0 294.439 1.211 10 0 CDAERP COCC[N@H+](CCOC1CC1)CC1CC[NH+](C)CC1 ZINC000931379944 933551020 /nfs/dbraw/zinc/55/10/20/933551020.db2.gz MCJLRRBRSZZWIL-UHFFFAOYSA-N 2 0 270.417 1.456 10 0 CDAERP CCOC(=O)/C=C/CN1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000931682979 933607331 /nfs/dbraw/zinc/60/73/31/933607331.db2.gz CEUDFAUHSAZWTH-NNTXTVRGSA-N 2 0 289.379 1.711 10 0 CDAERP C[NH+]1CCC(CCNC(=[NH2+])NC[C@@H]2CCCS2)CC1 ZINC001119555485 937732388 /nfs/dbraw/zinc/73/23/88/937732388.db2.gz OTWFFKGSHOMAEW-ZDUSSCGKSA-N 2 0 284.473 1.728 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1CCCC[C@H]1[NH3+])C1CCCC1 ZINC000249978862 938932055 /nfs/dbraw/zinc/93/20/55/938932055.db2.gz KJDYFVTVDYWDGD-ZIAGYGMSSA-N 2 0 267.417 1.495 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405351700 940984331 /nfs/dbraw/zinc/98/43/31/940984331.db2.gz OLUQJTGDKAHZFC-MGPQQGTHSA-N 2 0 251.418 1.720 10 0 CDAERP C[C@@H]1OC[C@@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)[C@@H]1C ZINC000405554394 940991119 /nfs/dbraw/zinc/99/11/19/940991119.db2.gz CAOADNGORZNQNX-HZSPNIEDSA-N 2 0 269.433 1.025 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)NCC[N@@H+]2CC[C@H](C)C2)CC1 ZINC001362013430 970775411 /nfs/dbraw/zinc/77/54/11/970775411.db2.gz LQKXZBZXMKQKTD-HNNXBMFYSA-N 2 0 295.471 1.812 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001276978371 941765598 /nfs/dbraw/zinc/76/55/98/941765598.db2.gz LIZSSOOZEIPUHZ-KGLIPLIRSA-N 2 0 269.433 1.563 10 0 CDAERP C[C@H](CCC[NH2+]C/C=C/Cl)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001277356698 942419639 /nfs/dbraw/zinc/41/96/39/942419639.db2.gz WJVUGVSCEYSLMJ-SXQWRXASSA-N 2 0 287.835 1.565 10 0 CDAERP CCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CCO1 ZINC001280658438 942471336 /nfs/dbraw/zinc/47/13/36/942471336.db2.gz CLXBKTTTWPHTFG-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP CCCCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001283712647 942976976 /nfs/dbraw/zinc/97/69/76/942976976.db2.gz CJYJNIZGJITKEA-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)[C@H](C[NH2+]CCF)C1CC1)[NH+](C)C ZINC001277662828 943262845 /nfs/dbraw/zinc/26/28/45/943262845.db2.gz PDTUBZPXPLLKGV-KGLIPLIRSA-N 2 0 287.423 1.369 10 0 CDAERP CCCC[NH2+][C@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001277855684 943835391 /nfs/dbraw/zinc/83/53/91/943835391.db2.gz XZPRIGCTQMCXHS-KGLIPLIRSA-N 2 0 271.449 1.809 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC)[C@@H]1CC)[NH+](C)C ZINC001264067666 944070861 /nfs/dbraw/zinc/07/08/61/944070861.db2.gz MJDCQOIJQFAPPO-XQQFMLRXSA-N 2 0 255.406 1.316 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]2C[NH2+]CCC2CC2)C1 ZINC001277941725 944141029 /nfs/dbraw/zinc/14/10/29/944141029.db2.gz RJHWJGCSLFCPCU-HOCLYGCPSA-N 2 0 293.455 1.709 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+]CCCF)C1 ZINC001264477415 944141202 /nfs/dbraw/zinc/14/12/02/944141202.db2.gz GDSKEMCOCYAWGS-QWHCGFSZSA-N 2 0 273.396 1.172 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]([NH2+]CCCF)C1 ZINC001265433966 944385278 /nfs/dbraw/zinc/38/52/78/944385278.db2.gz SADDMKUQSVOXQX-QWHCGFSZSA-N 2 0 291.386 1.216 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001265555736 944427457 /nfs/dbraw/zinc/42/74/57/944427457.db2.gz GZOMLSJBDYVGGB-GASCZTMLSA-N 2 0 281.444 1.755 10 0 CDAERP CCCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001265596551 944440869 /nfs/dbraw/zinc/44/08/69/944440869.db2.gz FXOZDMVHPIZATD-JKSUJKDBSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)OCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001265923627 944576354 /nfs/dbraw/zinc/57/63/54/944576354.db2.gz WIKSBMMCGBZYOR-LSDHHAIUSA-N 2 0 297.443 1.086 10 0 CDAERP C[NH+](C)C1(C(=O)N2CC[C@H](C[NH2+]CCC3CC3)C2)CCC1 ZINC001265983037 944613673 /nfs/dbraw/zinc/61/36/73/944613673.db2.gz LTTANIGYGKOSOA-OAHLLOKOSA-N 2 0 293.455 1.709 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCCC2)C1 ZINC001362390391 971221031 /nfs/dbraw/zinc/22/10/31/971221031.db2.gz SZFDFOKAEMJPQP-KGLIPLIRSA-N 2 0 281.444 1.850 10 0 CDAERP CC[N@@H+]1CCC[C@H](CN[C@H]2C[NH+]3C[C@@H]2CCC3)C1 ZINC001262198159 946514846 /nfs/dbraw/zinc/51/48/46/946514846.db2.gz HETWFJRXMHYXFP-ILXRZTDVSA-N 2 0 251.418 1.402 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2C[C@@H]([NH2+]CCC3CC3)C2)C1 ZINC001479336817 971301231 /nfs/dbraw/zinc/30/12/31/971301231.db2.gz AWZZWHVXIBGOMJ-HRCADAONSA-N 2 0 293.455 1.613 10 0 CDAERP CCO[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C[NH2+]C(C)C ZINC001479548105 971339437 /nfs/dbraw/zinc/33/94/37/971339437.db2.gz NRBDPULDTPYBCU-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP C[N@@H+](C/C=C\Cl)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001479792943 971420267 /nfs/dbraw/zinc/42/02/67/971420267.db2.gz AOOGAQDJNHIENF-CLTKARDFSA-N 2 0 287.835 1.519 10 0 CDAERP C[C@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001568992090 1169582510 /nfs/dbraw/zinc/58/25/10/1169582510.db2.gz SNPCDBIOMQLMNK-HIFRSBDPSA-N 2 0 295.471 1.859 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CCc1ccns1)[NH+](C)C ZINC001569081734 1169634218 /nfs/dbraw/zinc/63/42/18/1169634218.db2.gz YMHOFCLKJFHLGA-AAEUAGOBSA-N 2 0 298.456 1.120 10 0 CDAERP CN(C)[C@H](CC[NH2+]C1CCC(C[NH3+])CC1)C(F)(F)F ZINC001650036493 1169634748 /nfs/dbraw/zinc/63/47/48/1169634748.db2.gz JESYTZAWFMKJSG-HTAVTVPLSA-N 2 0 281.366 1.976 10 0 CDAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccsc1 ZINC001480535973 971773601 /nfs/dbraw/zinc/77/36/01/971773601.db2.gz BIEHNPCWKVIVPT-CHWSQXEVSA-N 2 0 295.452 1.684 10 0 CDAERP CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCN2C2CCCC2)C(C)(C)C1 ZINC001362972484 971773799 /nfs/dbraw/zinc/77/37/99/971773799.db2.gz OFZULPRYYLIOBD-LSDHHAIUSA-N 2 0 293.455 1.850 10 0 CDAERP O=C(N[C@@H]1CCC[C@H]([NH2+]CCCF)C1)C12CC[NH+](CC1)C2 ZINC001480708170 971845708 /nfs/dbraw/zinc/84/57/08/971845708.db2.gz OKCUWKAWKIWALY-UONOGXRCSA-N 2 0 297.418 1.459 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CCF ZINC001480763362 971869546 /nfs/dbraw/zinc/86/95/46/971869546.db2.gz IAVGQEIAHBLWRI-OLZOCXBDSA-N 2 0 273.396 1.313 10 0 CDAERP CC(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001493128187 971954484 /nfs/dbraw/zinc/95/44/84/971954484.db2.gz JUPGDEIDIIMYFT-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP CCCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001493161968 971962708 /nfs/dbraw/zinc/96/27/08/971962708.db2.gz XDZKQEWFCZEDBB-HUUCEWRRSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H](CN1CCOCC1)C[N@@H+]1C[C@@H](N2CCCC2)C[C@@H]1C ZINC001363864139 953936988 /nfs/dbraw/zinc/93/69/88/953936988.db2.gz GUVDHRCDCKLVKY-IKGGRYGDSA-N 2 0 295.471 1.513 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC001326372949 954346353 /nfs/dbraw/zinc/34/63/53/954346353.db2.gz SVNZUPNHTCTWNE-SAXRGWBVSA-N 2 0 265.401 1.103 10 0 CDAERP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C[C@@H](C)CC ZINC001493331025 972018577 /nfs/dbraw/zinc/01/85/77/972018577.db2.gz CSYMVLXRWQULHT-LSDHHAIUSA-N 2 0 283.460 1.812 10 0 CDAERP C(C[NH+]1CCOCC1)C1CC[NH+](CC2=NOCC2)CC1 ZINC001364410217 954578838 /nfs/dbraw/zinc/57/88/38/954578838.db2.gz FGKBJXCGQUDTLH-UHFFFAOYSA-N 2 0 281.400 1.197 10 0 CDAERP C[NH+](C)CCC(=O)NCC1([NH2+]CC2CCC2)CCC1 ZINC001326876859 954598280 /nfs/dbraw/zinc/59/82/80/954598280.db2.gz BLLYBENYUWYQKO-UHFFFAOYSA-N 2 0 267.417 1.367 10 0 CDAERP Cc1cnc(C[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C(C)C)s1 ZINC001491682923 955357167 /nfs/dbraw/zinc/35/71/67/955357167.db2.gz QONJUZRAALYEAE-NSHDSACASA-N 2 0 298.456 1.386 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001491829362 955457739 /nfs/dbraw/zinc/45/77/39/955457739.db2.gz JUIAWLUBHLBBCA-JYJNAYRXSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@H+](C)[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001491959886 955546001 /nfs/dbraw/zinc/54/60/01/955546001.db2.gz QIJPIOJIMGULNZ-CQSZACIVSA-N 2 0 269.433 1.661 10 0 CDAERP COC[C@@H](C)[N@H+](C)CCCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001421892685 955633166 /nfs/dbraw/zinc/63/31/66/955633166.db2.gz NUUYWVXDNMGTRN-CABCVRRESA-N 2 0 299.459 1.143 10 0 CDAERP C[NH+]1CCC2(CCN2C(=O)CC[N@@H+]2CC[C@@H](F)C2)CC1 ZINC001365150557 955650705 /nfs/dbraw/zinc/65/07/05/955650705.db2.gz ORVQNEPLZJKWSB-CYBMUJFWSA-N 2 0 283.391 1.117 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001492144374 955652512 /nfs/dbraw/zinc/65/25/12/955652512.db2.gz WMDBXLPMONXBGV-UONOGXRCSA-N 2 0 267.417 1.461 10 0 CDAERP CCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CC)C1 ZINC001365182885 955687325 /nfs/dbraw/zinc/68/73/25/955687325.db2.gz KKAMVVDBGKQJLK-CABCVRRESA-N 2 0 281.444 1.804 10 0 CDAERP CC[NH2+]CC1(NC(=O)CC[C@@H]2CCC[N@@H+]2C)CCOCC1 ZINC001422001072 955693047 /nfs/dbraw/zinc/69/30/47/955693047.db2.gz HSLKKIAZAHRCSY-AWEZNQCLSA-N 2 0 297.443 1.136 10 0 CDAERP C[NH+](C)CCN1CC[N@H+](C[C@@H]2CCCCC2(C)C)CC1=O ZINC001365314076 955881121 /nfs/dbraw/zinc/88/11/21/955881121.db2.gz OAMMIJZWTUCGGZ-HNNXBMFYSA-N 2 0 295.471 1.909 10 0 CDAERP C[C@H]([NH3+])CN1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC001329701270 956070951 /nfs/dbraw/zinc/07/09/51/956070951.db2.gz HROYUJGVFXMAFZ-GUTXKFCHSA-N 3 0 253.434 1.953 10 0 CDAERP O=C(C[NH+]1CCCC1)NC1(C[NH2+]CCF)CCCCC1 ZINC001329860687 956147491 /nfs/dbraw/zinc/14/74/91/956147491.db2.gz LSNKTIYYFGAZHJ-UHFFFAOYSA-N 2 0 285.407 1.460 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC1CCC1 ZINC001422651353 956233239 /nfs/dbraw/zinc/23/32/39/956233239.db2.gz QFSJAJWSDGSQOW-ZFWWWQNUSA-N 2 0 281.444 1.755 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)C1C[NH+](C[C@H](C)CC)C1 ZINC001422756317 956310823 /nfs/dbraw/zinc/31/08/23/956310823.db2.gz QRFGJNSQYOYYCA-KGLIPLIRSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)[C@H](C(=O)N[C@@H](C)C1C[NH+](C(C)C)C1)[NH+]1CCCC1 ZINC001422760023 956311459 /nfs/dbraw/zinc/31/14/59/956311459.db2.gz HVBPLGXUJIWFSV-GOEBONIOSA-N 2 0 295.471 1.952 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](CCCF)CC[C@@H]2C1 ZINC001365886165 956425937 /nfs/dbraw/zinc/42/59/37/956425937.db2.gz FNBBTCHUTFOUHT-CABCVRRESA-N 2 0 299.434 1.467 10 0 CDAERP CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ocnc1C)[NH+](C)C ZINC001423075783 956564349 /nfs/dbraw/zinc/56/43/49/956564349.db2.gz MGGZXLLXDPMMGC-WCQYABFASA-N 2 0 296.415 1.260 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC[C@@H](C)F)C1)[NH+](C)C ZINC001366114632 956576533 /nfs/dbraw/zinc/57/65/33/956576533.db2.gz ADHMAXGSNKILGI-FDYHWXHSSA-N 2 0 273.396 1.312 10 0 CDAERP O=C(NCC1([NH2+]CC2CCC2)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001423220138 956675086 /nfs/dbraw/zinc/67/50/86/956675086.db2.gz DHHZKKVTZAKOEL-HNNXBMFYSA-N 2 0 291.439 1.367 10 0 CDAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC1CCCCC1 ZINC001366348648 956762394 /nfs/dbraw/zinc/76/23/94/956762394.db2.gz UGXIHFOYFLMJDV-CQSZACIVSA-N 2 0 293.455 1.757 10 0 CDAERP CCC[N@H+](C)CCC(=O)N(C)C1C[NH+](CC2CC(C)C2)C1 ZINC001423440525 956788683 /nfs/dbraw/zinc/78/86/83/956788683.db2.gz ZMSLQPQOGTUPOW-UHFFFAOYSA-N 2 0 295.471 1.907 10 0 CDAERP CC(C)N(CC[N@H+](C)C(C)C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001423570654 956864507 /nfs/dbraw/zinc/86/45/07/956864507.db2.gz QABLFSIWCFHHQM-HNNXBMFYSA-N 2 0 283.460 1.905 10 0 CDAERP CC[C@H](C)C[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)CC)C[C@H]2C1 ZINC001423992084 957066212 /nfs/dbraw/zinc/06/62/12/957066212.db2.gz VOHDYLQZUKSJDG-HRCADAONSA-N 2 0 295.471 1.765 10 0 CDAERP Cc1ncoc1C[N@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001366681674 957110379 /nfs/dbraw/zinc/11/03/79/957110379.db2.gz VSOBZERQIVPRBE-ZDUSSCGKSA-N 2 0 294.399 1.015 10 0 CDAERP CC[C@@H](C(=O)N1CCO[C@@H](C[NH2+]C(C)C)C1)[NH+](CC)CC ZINC001424232154 957162774 /nfs/dbraw/zinc/16/27/74/957162774.db2.gz UCCILRCNCMSLHY-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP C([C@H]1C[C@@]12CCOC2)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001331707148 957219030 /nfs/dbraw/zinc/21/90/30/957219030.db2.gz PLQLFUGXLCYROK-GDBMZVCRSA-N 2 0 264.413 1.879 10 0 CDAERP CC(C)CC[NH+]1CC(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001494564360 972257632 /nfs/dbraw/zinc/25/76/32/972257632.db2.gz SWCRFHWMVDAHSL-MRXNPFEDSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]CCC2CC2)C1)[NH+](C)C ZINC001317160676 957312531 /nfs/dbraw/zinc/31/25/31/957312531.db2.gz BJIVAPCSXCWPNT-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2C[NH+](C)CCCF)C1 ZINC001424705794 957313660 /nfs/dbraw/zinc/31/36/60/957313660.db2.gz LDSQMNKMQBMJEZ-HUUCEWRRSA-N 2 0 299.434 1.611 10 0 CDAERP CCC[NH2+]C[C@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001317198234 957338725 /nfs/dbraw/zinc/33/87/25/957338725.db2.gz DAYSCGBGFNGWEY-CQSZACIVSA-N 2 0 269.433 1.707 10 0 CDAERP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)[C@H](C)[NH2+]C/C=C/Cl ZINC001424807524 957364682 /nfs/dbraw/zinc/36/46/82/957364682.db2.gz XBQIWPOIVWPNQF-JZUADKBYSA-N 2 0 287.835 1.706 10 0 CDAERP CC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](CCOC)C1)[NH+](CC)CC ZINC001367062274 957376626 /nfs/dbraw/zinc/37/66/26/957376626.db2.gz VTVZGSRBURIDEH-HUUCEWRRSA-N 2 0 299.459 1.286 10 0 CDAERP C[C@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]Cc1cncs1 ZINC001424848324 957382086 /nfs/dbraw/zinc/38/20/86/957382086.db2.gz ZJCVBWCLLSRVEE-RYUDHWBXSA-N 2 0 296.440 1.222 10 0 CDAERP CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001317272455 957395273 /nfs/dbraw/zinc/39/52/73/957395273.db2.gz SRJDNAXAPQMUEJ-QWHCGFSZSA-N 2 0 255.406 1.364 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCF)C1 ZINC001317342572 957431151 /nfs/dbraw/zinc/43/11/51/957431151.db2.gz YKAFNOOYOKCPCZ-CABCVRRESA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)[NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C ZINC001332413300 957554221 /nfs/dbraw/zinc/55/42/21/957554221.db2.gz NLGBCCVEJKQSAE-ZDUSSCGKSA-N 2 0 269.433 1.563 10 0 CDAERP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]C/C=C/Cl ZINC001425685832 957598781 /nfs/dbraw/zinc/59/87/81/957598781.db2.gz SCWGGPHWQNDBCV-WBIIUDBISA-N 2 0 273.808 1.127 10 0 CDAERP CC/C=C/CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001318216381 957982810 /nfs/dbraw/zinc/98/28/10/957982810.db2.gz NQJMDLWZWVOZKO-WHJWBVKISA-N 2 0 279.428 1.580 10 0 CDAERP CCOCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001318300829 958022613 /nfs/dbraw/zinc/02/26/13/958022613.db2.gz CEWGVRRHKKJCNL-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC[C@@H](C)F ZINC001367493102 958056627 /nfs/dbraw/zinc/05/66/27/958056627.db2.gz PAAPFGUZGYJLDQ-KGLIPLIRSA-N 2 0 299.434 1.561 10 0 CDAERP COCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001494842495 972321286 /nfs/dbraw/zinc/32/12/86/972321286.db2.gz GCMJCXHVHOUOLU-GJZGRUSLSA-N 2 0 297.443 1.040 10 0 CDAERP CN(CC[N@H+](C)CCC1CC1)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001367545760 958125601 /nfs/dbraw/zinc/12/56/01/958125601.db2.gz MIOZUMJHEXFYSQ-OAHLLOKOSA-N 2 0 281.444 1.519 10 0 CDAERP C[C@H](C[NH2+]Cc1ccsc1)NC(=O)C1CC[NH+](C)CC1 ZINC001367695263 958223012 /nfs/dbraw/zinc/22/30/12/958223012.db2.gz IHANNEXMQJVKMH-GFCCVEGCSA-N 2 0 295.452 1.684 10 0 CDAERP C[C@@H](C[N@H+](C)CCC1CC1)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001367829150 958409869 /nfs/dbraw/zinc/40/98/69/958409869.db2.gz FNBSENUZMMXRDI-DZKIICNBSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@H](C[N@H+](C)CCC1CC1)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001367840364 958421732 /nfs/dbraw/zinc/42/17/32/958421732.db2.gz XXULRBMHCJTPAB-UONOGXRCSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH+](C)CCC(F)(F)F ZINC001367863863 958442647 /nfs/dbraw/zinc/44/26/47/958442647.db2.gz RDOCMQYGSXNEIJ-NSHDSACASA-N 2 0 297.365 1.716 10 0 CDAERP C[NH+](C)CCCC(=O)NC[C@@H]1CC[N@@H+]1CCC(C)(C)C ZINC001367961139 958522259 /nfs/dbraw/zinc/52/22/59/958522259.db2.gz OIKICXWKYGLQNR-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H](C[NH2+]CCF)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001319494180 958591451 /nfs/dbraw/zinc/59/14/51/958591451.db2.gz QQVBMHTZIMIYGX-GFCCVEGCSA-N 2 0 271.380 1.021 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC2(C1)CC[NH+](CCCF)CC2 ZINC001368056574 958608421 /nfs/dbraw/zinc/60/84/21/958608421.db2.gz PONAKRUZKXLISM-UHFFFAOYSA-N 2 0 299.434 1.612 10 0 CDAERP C[C@@H](C[NH2+]C/C=C/Cl)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001319558951 958631699 /nfs/dbraw/zinc/63/16/99/958631699.db2.gz CBGQQJLBNLWZBL-UXONFWTHSA-N 2 0 285.819 1.271 10 0 CDAERP C[C@@H]1C[N@H+](Cc2cccc3c[nH]nc32)C[C@H]1CC[NH3+] ZINC001334056823 958797440 /nfs/dbraw/zinc/79/74/40/958797440.db2.gz VMFXEPPFJHCQMD-DGCLKSJQSA-N 2 0 258.369 1.980 10 0 CDAERP CC[C@@H](F)C[NH2+][C@@H](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001368719823 959078047 /nfs/dbraw/zinc/07/80/47/959078047.db2.gz XYVHHBLPODPXMJ-QWHCGFSZSA-N 2 0 287.423 1.703 10 0 CDAERP CC[C@H](C(=O)NCC[C@H](C)[NH2+]C[C@@H]1CCCOC1)[NH+](C)C ZINC001368721096 959079510 /nfs/dbraw/zinc/07/95/10/959079510.db2.gz BNFYPKLGUIWMAM-SOUVJXGZSA-N 2 0 299.459 1.238 10 0 CDAERP Cc1cnc([C@H](C)[NH2+][C@@H](C)CCNC(=O)CC[NH+](C)C)o1 ZINC001368734592 959089019 /nfs/dbraw/zinc/08/90/19/959089019.db2.gz GFDSGYYVGALDSG-AAEUAGOBSA-N 2 0 296.415 1.480 10 0 CDAERP COCC[NH2+]CC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001320414531 959155565 /nfs/dbraw/zinc/15/55/65/959155565.db2.gz JAGBYCBSTNPQKL-AWEZNQCLSA-N 2 0 299.459 1.382 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1nocc1C)[NH+](C)C ZINC001320465122 959187453 /nfs/dbraw/zinc/18/74/53/959187453.db2.gz XDRIJAHISCMSMB-GXTWGEPZSA-N 2 0 296.415 1.308 10 0 CDAERP C[C@H](CC[NH2+]Cc1cscn1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001320515165 959215388 /nfs/dbraw/zinc/21/53/88/959215388.db2.gz CSCRMNSXCAQZNW-DGCLKSJQSA-N 2 0 296.440 1.222 10 0 CDAERP C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](C)[NH2+]Cc1cccnc1 ZINC001368885921 959228961 /nfs/dbraw/zinc/22/89/61/959228961.db2.gz PJSVDFLEXBGHLY-ZIAGYGMSSA-N 2 0 292.427 1.406 10 0 CDAERP Cc1ncoc1C[NH2+][C@H](C)[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001368918481 959250024 /nfs/dbraw/zinc/25/00/24/959250024.db2.gz UZMSCEQBGJOIHF-VXGBXAGGSA-N 2 0 294.399 1.062 10 0 CDAERP Cc1oncc1C[NH2+]CC[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001320644735 959294557 /nfs/dbraw/zinc/29/45/57/959294557.db2.gz NNGSWYKQEZZLLI-LBPRGKRZSA-N 2 0 296.415 1.308 10 0 CDAERP CC[C@@H](F)C[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001321064966 959567391 /nfs/dbraw/zinc/56/73/91/959567391.db2.gz PUMCSYNILWHQCK-KCPLHHHMSA-N 2 0 285.407 1.337 10 0 CDAERP CC[C@@H](C)C[NH2+][C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001369296068 959612920 /nfs/dbraw/zinc/61/29/20/959612920.db2.gz WYXNGRKZOUGWPL-KGLIPLIRSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)N(CC[N@H+](C)CCO)C(=O)CC[NH+]1CCCCC1 ZINC001369534808 959747386 /nfs/dbraw/zinc/74/73/86/959747386.db2.gz WGWGMSBDCVWDFO-UHFFFAOYSA-N 2 0 299.459 1.024 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001321513701 959827350 /nfs/dbraw/zinc/82/73/50/959827350.db2.gz FUYQWAWJRPPTKN-KGLIPLIRSA-N 2 0 269.433 1.610 10 0 CDAERP CCOCCC[NH2+]C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001321567877 959854391 /nfs/dbraw/zinc/85/43/91/959854391.db2.gz OZWKSRXZPXJIRV-CQSZACIVSA-N 2 0 297.443 1.136 10 0 CDAERP C[C@H](C[NH2+]C/C=C\Cl)NC(=O)CCc1nccn1C ZINC001321595060 959865780 /nfs/dbraw/zinc/86/57/80/959865780.db2.gz QRMOMQJFMPRYRL-ZTYXWKCZSA-N 2 0 284.791 1.200 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CCC2CC2)C1 ZINC001369868989 959901263 /nfs/dbraw/zinc/90/12/63/959901263.db2.gz HGGRZDADEUHLME-OAHLLOKOSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H](C)O2)C1 ZINC001370564943 960147129 /nfs/dbraw/zinc/14/71/29/960147129.db2.gz OFFKTJSDOULIJC-KBUPBQIOSA-N 2 0 297.443 1.131 10 0 CDAERP C[NH+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001370581036 960150737 /nfs/dbraw/zinc/15/07/37/960150737.db2.gz FPRTVQNLYGEGLX-MQVJKMGUSA-N 2 0 293.455 1.850 10 0 CDAERP CC[NH2+]CC[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001495382352 972485132 /nfs/dbraw/zinc/48/51/32/972485132.db2.gz YFUKFYLPFFBXQZ-AWEZNQCLSA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001323518356 960787959 /nfs/dbraw/zinc/78/79/59/960787959.db2.gz HZNRBGWPEPIEOA-LBPRGKRZSA-N 2 0 253.390 1.118 10 0 CDAERP C[C@@H](O)CC[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001560238351 960896178 /nfs/dbraw/zinc/89/61/78/960896178.db2.gz MEHCLLJIEOKPNR-KFWWJZLASA-N 2 0 252.402 1.565 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001419091104 961356495 /nfs/dbraw/zinc/35/64/95/961356495.db2.gz DEJVKOKBYIQCGP-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCc2cccs2)C1 ZINC001419090081 961359618 /nfs/dbraw/zinc/35/96/18/961359618.db2.gz ITSVFPUASBNCFX-CYBMUJFWSA-N 2 0 295.452 1.433 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]([NH2+]C/C=C/Cl)C1 ZINC001419408926 961670504 /nfs/dbraw/zinc/67/05/04/961670504.db2.gz ZGZDAQNEPPTIMW-XHJJXGHWSA-N 2 0 299.846 1.850 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001419416415 961677752 /nfs/dbraw/zinc/67/77/52/961677752.db2.gz DCUWOHKSHZCTLA-AVGNSLFASA-N 2 0 285.407 1.313 10 0 CDAERP C[C@H](C[NH2+]CC1CC1)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001419689422 961965233 /nfs/dbraw/zinc/96/52/33/961965233.db2.gz YUYMUKIBPDQIQP-CQSZACIVSA-N 2 0 293.455 1.709 10 0 CDAERP CCC(CC)C[NH2+][C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001419735123 962052744 /nfs/dbraw/zinc/05/27/44/962052744.db2.gz DDARRNFPZKYSBQ-CJNGLKHVSA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC1CC1)[NH+]1CCCC1 ZINC001419774666 962097239 /nfs/dbraw/zinc/09/72/39/962097239.db2.gz YJYOIAQAHVAHQT-HOCLYGCPSA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)C(C)C ZINC001436334762 962192102 /nfs/dbraw/zinc/19/21/02/962192102.db2.gz QWLWPKNNTZVSIO-CABCVRRESA-N 2 0 283.460 1.905 10 0 CDAERP CO[C@@H](C)C[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001436414896 962238420 /nfs/dbraw/zinc/23/84/20/962238420.db2.gz PYLLXBJKMVRJBY-SOUVJXGZSA-N 2 0 299.459 1.236 10 0 CDAERP CC[C@@H](F)C[NH2+][C@@H]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001436415154 962241544 /nfs/dbraw/zinc/24/15/44/962241544.db2.gz JCGYBHWJTPIIFE-BFHYXJOUSA-N 2 0 287.423 1.561 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1C[C@@H](C)OC ZINC001436443560 962257360 /nfs/dbraw/zinc/25/73/60/962257360.db2.gz UQIMATZQQSECLN-QLFBSQMISA-N 2 0 299.459 1.332 10 0 CDAERP Cc1oncc1C[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001436963981 962530787 /nfs/dbraw/zinc/53/07/87/962530787.db2.gz LAACGUNFKMBCGF-OKILXGFUSA-N 2 0 294.399 1.062 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1cnc(C)s1 ZINC001437252435 962767821 /nfs/dbraw/zinc/76/78/21/962767821.db2.gz WLZKTUMWMXXWNB-NSHDSACASA-N 2 0 298.456 1.388 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCc1ccccc1 ZINC001437264877 962780197 /nfs/dbraw/zinc/78/01/97/962780197.db2.gz XJBVTIBDWFYODZ-ZBFHGGJFSA-N 2 0 289.423 1.275 10 0 CDAERP Cc1ncoc1C[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001420434476 962907359 /nfs/dbraw/zinc/90/73/59/962907359.db2.gz HAFQSTCKFGQJCS-NSHDSACASA-N 2 0 294.399 1.062 10 0 CDAERP C[NH+](CC(=O)NCC[N@@H+](C)CCC(C)(C)C)C1CCC1 ZINC001437472557 962939492 /nfs/dbraw/zinc/93/94/92/962939492.db2.gz QQCSFAZXINOWRW-UHFFFAOYSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@@H](C[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCCC1)OC ZINC001420490470 962969319 /nfs/dbraw/zinc/96/93/19/962969319.db2.gz BCNFZNRMWJWAEJ-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@H](F)C[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001420491471 962975317 /nfs/dbraw/zinc/97/53/17/962975317.db2.gz DDCWBQGKIYYOJF-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001420536929 963028851 /nfs/dbraw/zinc/02/88/51/963028851.db2.gz GFZFNNHLJOTMPX-JKSUJKDBSA-N 2 0 295.471 1.812 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+](CC[C@H](C)F)C1 ZINC001437737562 963155396 /nfs/dbraw/zinc/15/53/96/963155396.db2.gz JDJMAXUJPBYCKT-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NCC[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC001437945413 963249132 /nfs/dbraw/zinc/24/91/32/963249132.db2.gz IGDFHQJZXOAUBU-CVEARBPZSA-N 2 0 293.455 1.566 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001437952067 963255152 /nfs/dbraw/zinc/25/51/52/963255152.db2.gz ZKBLOILXMDTZML-HOTGVXAUSA-N 2 0 295.471 1.812 10 0 CDAERP CCCN(C(=O)[C@H]1CN(CC)CCO1)[C@H]1CC[N@H+](CC)C1 ZINC001420821408 963274219 /nfs/dbraw/zinc/27/42/19/963274219.db2.gz BTKIHFOXAIWWGX-LSDHHAIUSA-N 2 0 297.443 1.040 10 0 CDAERP CCCC[N@@H+]1CC[C@@H](CCNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001420895071 963334501 /nfs/dbraw/zinc/33/45/01/963334501.db2.gz SBSSJQQRHUNHRC-HZPDHXFCSA-N 2 0 295.471 1.957 10 0 CDAERP CC[C@H](C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001438588393 963491907 /nfs/dbraw/zinc/49/19/07/963491907.db2.gz OPZYEYLQKWSCFE-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccsc1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001438635883 963507585 /nfs/dbraw/zinc/50/75/85/963507585.db2.gz MHUNXRMEJSFGKG-GXTWGEPZSA-N 2 0 295.452 1.779 10 0 CDAERP C[C@@H](C[NH2+]CC1CC(C)(C)C1)N(C)C(=O)C[NH+]1CCCC1 ZINC001438724435 963535775 /nfs/dbraw/zinc/53/57/75/963535775.db2.gz SKQBYKYCINADJI-AWEZNQCLSA-N 2 0 295.471 1.955 10 0 CDAERP Cc1ncccc1C[N@@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001439365184 963738365 /nfs/dbraw/zinc/73/83/65/963738365.db2.gz POMRZCQZYGYFOJ-ZDUSSCGKSA-N 2 0 292.427 1.278 10 0 CDAERP C[NH+](C)CC1(C(=O)NC[C@@H]2CC[N@@H+]2CCC(C)(C)C)CC1 ZINC001439544301 963793126 /nfs/dbraw/zinc/79/31/26/963793126.db2.gz HJKFJEXYFODBNE-AWEZNQCLSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](F)C[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CCC1 ZINC001440325793 963988796 /nfs/dbraw/zinc/98/87/96/963988796.db2.gz VQKAJOUEPGJBMG-ZDUSSCGKSA-N 2 0 299.434 1.847 10 0 CDAERP CC(C)CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001440357192 963996712 /nfs/dbraw/zinc/99/67/12/963996712.db2.gz YBEFPNUDETUHMB-CQSZACIVSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]C/C=C\Cl)C1 ZINC001441335403 964464704 /nfs/dbraw/zinc/46/47/04/964464704.db2.gz ZGSYMFPGRGCNSQ-KUTPXYQMSA-N 2 0 299.846 1.802 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001441350547 964472591 /nfs/dbraw/zinc/47/25/91/964472591.db2.gz INKWOKKSWKTQMD-QPSCCSFWSA-N 2 0 299.434 1.655 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001441364020 964475170 /nfs/dbraw/zinc/47/51/70/964475170.db2.gz JYDLYNJIPTZWBR-QKPAOTATSA-N 2 0 295.471 1.859 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)[NH2+]CCc1cccs1)[NH+](C)C ZINC001441858133 964752129 /nfs/dbraw/zinc/75/21/29/964752129.db2.gz UKONUHRKCZMFKW-GXTWGEPZSA-N 2 0 297.468 1.725 10 0 CDAERP CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]21 ZINC001441883107 964766131 /nfs/dbraw/zinc/76/61/31/964766131.db2.gz VKKVNPNBPAVGTB-RBSFLKMASA-N 2 0 281.444 1.563 10 0 CDAERP CC(C)N(CC[N@H+](C)C(C)C)C(=O)C12CC[NH+](CC1)C2 ZINC001442127740 964880533 /nfs/dbraw/zinc/88/05/33/964880533.db2.gz PCABKBMURJMCKG-UHFFFAOYSA-N 2 0 281.444 1.659 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC001346694883 965216727 /nfs/dbraw/zinc/21/67/27/965216727.db2.gz ISDZUBSOCWDGSB-LSDHHAIUSA-N 2 0 292.427 1.126 10 0 CDAERP C[N@H+](CCF)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001443323619 965438192 /nfs/dbraw/zinc/43/81/92/965438192.db2.gz GQIVDAMPDHIJBD-KBPBESRZSA-N 2 0 285.407 1.221 10 0 CDAERP CC(C)C[NH2+][C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001444926716 966004778 /nfs/dbraw/zinc/00/47/78/966004778.db2.gz BURPVRFZKIXMGP-LSDHHAIUSA-N 2 0 283.460 1.715 10 0 CDAERP CC(C)C[NH2+]CC(=O)NCC[N@H+](C)C1CCCCC1 ZINC001349472023 966352066 /nfs/dbraw/zinc/35/20/66/966352066.db2.gz FZMNDEXIGDHZNP-UHFFFAOYSA-N 2 0 269.433 1.613 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@H]1CC[N@@H+]1CC1CC1 ZINC001446066126 966437096 /nfs/dbraw/zinc/43/70/96/966437096.db2.gz XEVCWXVEJMPAEY-ZIAGYGMSSA-N 2 0 285.407 1.267 10 0 CDAERP C[C@H](F)CC[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001446237448 966493636 /nfs/dbraw/zinc/49/36/36/966493636.db2.gz UYIFNWNEUOVNIB-LBPRGKRZSA-N 2 0 285.407 1.315 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC(CC)([NH2+]CCF)CC1 ZINC001447424747 966784913 /nfs/dbraw/zinc/78/49/13/966784913.db2.gz OXGNYEZIFCUGCQ-UHFFFAOYSA-N 2 0 287.423 1.659 10 0 CDAERP CC(C)OCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001447630360 966835596 /nfs/dbraw/zinc/83/55/96/966835596.db2.gz HIHDULYMHOWMGZ-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP CC[C@H](C)C[NH2+]CC1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001447818654 966885933 /nfs/dbraw/zinc/88/59/33/966885933.db2.gz RHHSJLRWNSIVBJ-NFOMZHRRSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001448428771 967110166 /nfs/dbraw/zinc/11/01/66/967110166.db2.gz ORLMGOCHKIPSCZ-PHZGNYQRSA-N 2 0 295.471 1.668 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CCC[NH+](C)CC2)C1 ZINC001540284991 967129788 /nfs/dbraw/zinc/12/97/88/967129788.db2.gz QKTGCHSCHPZSSA-CQSZACIVSA-N 2 0 267.417 1.271 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC001451093960 967894992 /nfs/dbraw/zinc/89/49/92/967894992.db2.gz YSRLHDRLCUDDGS-KBPBESRZSA-N 2 0 269.433 1.422 10 0 CDAERP C[NH+](C)[C@@H]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C12CCC2 ZINC001454180777 968440480 /nfs/dbraw/zinc/44/04/80/968440480.db2.gz UXQJDVCPJMNJHR-UONOGXRCSA-N 2 0 295.471 1.953 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@H](O)c2ccc(F)cc2)C1 ZINC000848675706 969232011 /nfs/dbraw/zinc/23/20/11/969232011.db2.gz CCWKONJNSJHIPD-GLQYFDAESA-N 2 0 266.360 1.789 10 0 CDAERP CCC[NH+]1CCC(CNC(=[NH2+])NC[C@@H]2CCCO2)CC1 ZINC000848996368 969388564 /nfs/dbraw/zinc/38/85/64/969388564.db2.gz WWSMSEYSAZYCFE-AWEZNQCLSA-N 2 0 282.432 1.401 10 0 CDAERP [NH2+]=C(NCCc1cccs1)NCCN1CCCOCC1 ZINC000849021099 969410901 /nfs/dbraw/zinc/41/09/01/969410901.db2.gz PSXIULVWSCCHRH-UHFFFAOYSA-N 2 0 296.440 1.127 10 0 CDAERP C[C@@H]1CCC[C@H](C[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC001460339560 969499483 /nfs/dbraw/zinc/49/94/83/969499483.db2.gz MSRBDSMUELTPIC-CABCVRRESA-N 2 0 281.444 1.519 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC001467317385 970046703 /nfs/dbraw/zinc/04/67/03/970046703.db2.gz BNRQRGNXNOCZKE-JHJVBQTASA-N 2 0 255.406 1.173 10 0 CDAERP CCN(C(=O)[C@@H](C)CC[NH+](C)C)[C@@H]1CC[N@H+](C)C1 ZINC001470060298 970286714 /nfs/dbraw/zinc/28/67/14/970286714.db2.gz PAVBYUSUJPNYAQ-QWHCGFSZSA-N 2 0 255.406 1.127 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001361755974 970495820 /nfs/dbraw/zinc/49/58/20/970495820.db2.gz ZGGCYYWTYUOCLC-RBSFLKMASA-N 2 0 281.444 1.659 10 0 CDAERP C[C@@H](CNC(=O)CC[N@@H+]1CC[C@@H](F)C1)[NH+]1CCC[C@@H](C)C1 ZINC001361803161 970548161 /nfs/dbraw/zinc/54/81/61/970548161.db2.gz MARPIHKIMZSJLB-QLFBSQMISA-N 2 0 299.434 1.657 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001361935641 970692163 /nfs/dbraw/zinc/69/21/63/970692163.db2.gz HSZLWPOSYKMWRT-CQSZACIVSA-N 2 0 283.460 1.907 10 0 CDAERP C[C@H](C[NH2+]CCCF)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001496063173 972782175 /nfs/dbraw/zinc/78/21/75/972782175.db2.gz ZTSIYYBHUXYMIE-TZMCWYRMSA-N 2 0 285.407 1.124 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)C[NH2+]C(C)C)CC[N@@H+]1C ZINC001496063256 972783042 /nfs/dbraw/zinc/78/30/42/972783042.db2.gz FJCBUDUKSSXOGH-HZSPNIEDSA-N 2 0 269.433 1.562 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]C(C)C ZINC001496098734 972794407 /nfs/dbraw/zinc/79/44/07/972794407.db2.gz NGKFXSUPCMAYFV-LSDHHAIUSA-N 2 0 283.460 1.952 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+](Cc2cncs2)C1 ZINC001372654189 973065939 /nfs/dbraw/zinc/06/59/39/973065939.db2.gz RCLRQIVFQSDHOO-GFCCVEGCSA-N 2 0 296.440 1.033 10 0 CDAERP C[C@H](F)CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001372811176 973154903 /nfs/dbraw/zinc/15/49/03/973154903.db2.gz ZXFADVAFFIQPLD-GZBFAFLISA-N 2 0 299.434 1.655 10 0 CDAERP C[C@H](CC[NH2+]CC1CC1)NC(=O)C1CC[NH+](C)CC1 ZINC001497264376 973266962 /nfs/dbraw/zinc/26/69/62/973266962.db2.gz RDXZVUPUNVVQHX-GFCCVEGCSA-N 2 0 267.417 1.223 10 0 CDAERP CCN(CC[NH2+]CC1CC1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001497384046 973325255 /nfs/dbraw/zinc/32/52/55/973325255.db2.gz QUXHXNNXGBGJDI-HNNXBMFYSA-N 2 0 279.428 1.176 10 0 CDAERP CC(C)[NH2+]C/C=C\CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001497603422 973429108 /nfs/dbraw/zinc/42/91/08/973429108.db2.gz XETDNAXIXXLHBL-WSNITJDQSA-N 2 0 267.417 1.531 10 0 CDAERP CC[NH2+]C/C=C/CNC(=O)C[NH+]1CCC(C)CC1 ZINC001497715005 973476950 /nfs/dbraw/zinc/47/69/50/973476950.db2.gz RQJKMKNOCSLZDY-SNAWJCMRSA-N 2 0 253.390 1.000 10 0 CDAERP CC(C)CCC[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001497750793 973487563 /nfs/dbraw/zinc/48/75/63/973487563.db2.gz WEWVURURWRKZHJ-XVWMLYKFSA-N 2 0 281.444 1.636 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+]CC1CC(C)(C)C1 ZINC001497968415 973593696 /nfs/dbraw/zinc/59/36/96/973593696.db2.gz CAAYPPRFUBMFKI-CYBMUJFWSA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001498055515 973651144 /nfs/dbraw/zinc/65/11/44/973651144.db2.gz RHJRTGFDSDXWDI-LSDHHAIUSA-N 2 0 281.444 1.921 10 0 CDAERP C[C@@](C[NH2+]CC1CCC1)(NC(=O)Cn1ccnc1)C1CC1 ZINC001373899744 973683553 /nfs/dbraw/zinc/68/35/53/973683553.db2.gz OBPPXWUZCXVQLE-INIZCTEOSA-N 2 0 290.411 1.558 10 0 CDAERP C[NH+](C)CCC(=O)NCC1([NH2+]CCC2CC2)CCCC1 ZINC001374176632 973805772 /nfs/dbraw/zinc/80/57/72/973805772.db2.gz REELNLFATBOLLP-UHFFFAOYSA-N 2 0 281.444 1.757 10 0 CDAERP C[C@@H](C[NH2+]Cc1cncs1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001374205376 973830670 /nfs/dbraw/zinc/83/06/70/973830670.db2.gz HLNOJRIONMQXBW-WCQYABFASA-N 2 0 296.440 1.174 10 0 CDAERP C[C@H](C[NH2+]CC1CC1)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001374269430 973864356 /nfs/dbraw/zinc/86/43/56/973864356.db2.gz PJUVSSZWVWNPNN-CYBMUJFWSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccsc1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001374329191 973894474 /nfs/dbraw/zinc/89/44/74/973894474.db2.gz XKBMFZRBPGJMQW-GXTWGEPZSA-N 2 0 295.452 1.636 10 0 CDAERP C[NH+](C)CCCC(=O)NC[C@H]1CC[N@@H+]1CC1CCCC1 ZINC001499047099 974171807 /nfs/dbraw/zinc/17/18/07/974171807.db2.gz ABGRIYXHTJHHJS-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP CN(C(=O)CCC[NH+](C)C)C1C[NH+](CC2CCC2)C1 ZINC001499739189 974296602 /nfs/dbraw/zinc/29/66/02/974296602.db2.gz VWFKCTOFVBQHPE-UHFFFAOYSA-N 2 0 267.417 1.271 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCCF ZINC001499954603 974342708 /nfs/dbraw/zinc/34/27/08/974342708.db2.gz FXRHXVLHSFXCRE-CABCVRRESA-N 2 0 299.434 1.801 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CCCC1 ZINC001500123314 974378480 /nfs/dbraw/zinc/37/84/80/974378480.db2.gz VYPQNNOJSFKTRR-AWEZNQCLSA-N 2 0 279.428 1.367 10 0 CDAERP O=C(NC[C@H]1C[C@H]([NH2+]C/C=C/Cl)C1)C12CC[NH+](CC1)C2 ZINC001375554430 974421437 /nfs/dbraw/zinc/42/14/37/974421437.db2.gz HSZLAURVOMNQIG-ICDHSSQDSA-N 2 0 297.830 1.319 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1C[C@H]([NH2+]C/C=C\Cl)C1 ZINC001376405543 974652913 /nfs/dbraw/zinc/65/29/13/974652913.db2.gz IPLVDJCAWQVGEI-PYKRZLOVSA-N 2 0 299.846 1.849 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCF ZINC001376514201 974679329 /nfs/dbraw/zinc/67/93/29/974679329.db2.gz PPZYZDCFKFVPGA-ZIAGYGMSSA-N 2 0 285.407 1.363 10 0 CDAERP CC[C@@H](F)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001376658052 974706567 /nfs/dbraw/zinc/70/65/67/974706567.db2.gz SDBKRNJIFCXIMX-MRLBHPIUSA-N 2 0 299.434 1.367 10 0 CDAERP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]CCCCCF ZINC001502759193 974777222 /nfs/dbraw/zinc/77/72/22/974777222.db2.gz CDANDCMWLVZIJQ-CABCVRRESA-N 2 0 299.434 1.659 10 0 CDAERP CC[C@H](F)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001376903448 974810865 /nfs/dbraw/zinc/81/08/65/974810865.db2.gz RCPVGGLHQGEMMK-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001377019480 974855787 /nfs/dbraw/zinc/85/57/87/974855787.db2.gz AFZYRICVJOYNCZ-ZFWWWQNUSA-N 2 0 281.444 1.469 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CCF ZINC001377050150 974868463 /nfs/dbraw/zinc/86/84/63/974868463.db2.gz OCFYMVHKMFRLBV-KGLIPLIRSA-N 2 0 287.423 1.561 10 0 CDAERP CCCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001505920347 975044187 /nfs/dbraw/zinc/04/41/87/975044187.db2.gz LBYPDBMBRKFLDE-DZGCQCFKSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)CCCC1CCC1 ZINC001506056731 975103060 /nfs/dbraw/zinc/10/30/60/975103060.db2.gz NSQSJTGHNFISKY-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001378076364 975232157 /nfs/dbraw/zinc/23/21/57/975232157.db2.gz OGBDWLQRAYGHPD-AWEZNQCLSA-N 2 0 295.452 1.780 10 0 CDAERP C[NH+](C)CCC(=O)N[C@]12CCC[C@@H]1[N@H+](CCC1CC1)CC2 ZINC001507349095 975427000 /nfs/dbraw/zinc/42/70/00/975427000.db2.gz RDXAMEOTHLIPGM-RDJZCZTQSA-N 2 0 293.455 1.851 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N[C@@](C)(C[NH2+]CC2CCC2)C2CC2)C1 ZINC001401024511 975437408 /nfs/dbraw/zinc/43/74/08/975437408.db2.gz RUHIUWSPPZONSZ-YOEHRIQHSA-N 2 0 293.455 1.613 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]([NH2+]CCCF)C(C)(C)C2)C1 ZINC001507450111 975474988 /nfs/dbraw/zinc/47/49/88/975474988.db2.gz PWJSHAWFZJOFAR-KGLIPLIRSA-N 2 0 299.434 1.514 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccnc2)C1 ZINC001397133877 975475258 /nfs/dbraw/zinc/47/52/58/975475258.db2.gz VAAJQCJKCONRBV-SHTZXODSSA-N 2 0 290.411 1.018 10 0 CDAERP CC(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001397161866 975481231 /nfs/dbraw/zinc/48/12/31/975481231.db2.gz RKWDZUJIWSEXNJ-LSDHHAIUSA-N 2 0 295.471 1.859 10 0 CDAERP CO[C@H](C)C[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001378799829 975495422 /nfs/dbraw/zinc/49/54/22/975495422.db2.gz AEAHELVTNFZGAU-ZIAGYGMSSA-N 2 0 299.459 1.332 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001378842938 975514836 /nfs/dbraw/zinc/51/48/36/975514836.db2.gz KYJJHADWLOKYTM-ZIAGYGMSSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]1C[C@@H]([NH2+]C[C@@H](F)CC)C1)[NH+](C)C ZINC001388720636 975569896 /nfs/dbraw/zinc/56/98/96/975569896.db2.gz HKVSQHMQVAPTHR-XDQVBPFNSA-N 2 0 287.423 1.559 10 0 CDAERP C[NH+](C)CCCC(=O)NC1(C2CC[NH+](CCF)CC2)CC1 ZINC001508160881 975625414 /nfs/dbraw/zinc/62/54/14/975625414.db2.gz LLQWWJFFIMELNQ-UHFFFAOYSA-N 2 0 299.434 1.659 10 0 CDAERP CO[C@H](C)C[N@H+](C)CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001401386271 975638271 /nfs/dbraw/zinc/63/82/71/975638271.db2.gz PYCKWWKYBMEJEB-CQSZACIVSA-N 2 0 299.459 1.286 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)CC[C@H]21 ZINC001379169435 975701466 /nfs/dbraw/zinc/70/14/66/975701466.db2.gz RLHIWBPXCPCXEO-HZPDHXFCSA-N 2 0 295.471 1.907 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C ZINC001397792416 975722540 /nfs/dbraw/zinc/72/25/40/975722540.db2.gz NWZXBGQRXFUHBI-CABCVRRESA-N 2 0 283.460 1.952 10 0 CDAERP CCC(CC)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001401620556 975740566 /nfs/dbraw/zinc/74/05/66/975740566.db2.gz VYBVGOSONPUIIH-CZUORRHYSA-N 2 0 295.471 1.859 10 0 CDAERP CC[C@@H](C(=O)N[C@@H]1CCN(Cc2ccsc2)C1)[NH+](C)C ZINC001389502353 975876694 /nfs/dbraw/zinc/87/66/94/975876694.db2.gz FGZFBGNCYAWIHS-KGLIPLIRSA-N 2 0 295.452 1.779 10 0 CDAERP Cc1cc(C[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+](C)C(C)C)on1 ZINC001405918659 975937864 /nfs/dbraw/zinc/93/78/64/975937864.db2.gz OJMLMKSZIRAEED-ZDUSSCGKSA-N 2 0 296.415 1.260 10 0 CDAERP CC(C)(C)CC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001398526753 976018103 /nfs/dbraw/zinc/01/81/03/976018103.db2.gz CRGUSLREIAINEY-AWEZNQCLSA-N 2 0 293.455 1.709 10 0 CDAERP CO[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001398666910 976098384 /nfs/dbraw/zinc/09/83/84/976098384.db2.gz OLRSZHHLAUMJBR-KFWWJZLASA-N 2 0 297.443 1.134 10 0 CDAERP CC(C)[NH2+]C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001379901647 976122022 /nfs/dbraw/zinc/12/20/22/976122022.db2.gz YPAUXMVSQWAGSH-CQSZACIVSA-N 2 0 281.444 1.754 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001398732646 976130798 /nfs/dbraw/zinc/13/07/98/976130798.db2.gz OAOPMNQBXPWVSX-CVEARBPZSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001390160763 976146308 /nfs/dbraw/zinc/14/63/08/976146308.db2.gz RYHNKXRBVZWJFQ-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+](C)C(C)C)C1 ZINC001390166325 976152532 /nfs/dbraw/zinc/15/25/32/976152532.db2.gz ZMTKHDYDZRCQPZ-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001380000802 976175146 /nfs/dbraw/zinc/17/51/46/976175146.db2.gz DCOGOYLDTLKLOM-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](F)CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001380068931 976227963 /nfs/dbraw/zinc/22/79/63/976227963.db2.gz VYTDKHQFAQWKCK-VXGBXAGGSA-N 2 0 271.380 1.067 10 0 CDAERP CC[C@@H](C)C[NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001402365230 976251617 /nfs/dbraw/zinc/25/16/17/976251617.db2.gz OYVULJOYSUATHR-HIFRSBDPSA-N 2 0 293.455 1.613 10 0 CDAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CCC(F)(F)F ZINC001390503289 976337595 /nfs/dbraw/zinc/33/75/95/976337595.db2.gz DTZKFZRXPSOHBQ-JTQLQIEISA-N 2 0 293.333 1.129 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC2(C)CC[NH+](CCF)CC2)C1 ZINC001380308369 976340748 /nfs/dbraw/zinc/34/07/48/976340748.db2.gz HBVVIAKCJJHGJC-CYBMUJFWSA-N 2 0 285.407 1.268 10 0 CDAERP Cc1ncoc1C[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001390512454 976343347 /nfs/dbraw/zinc/34/33/47/976343347.db2.gz WHMIWWXVCZIINX-SMDDNHRTSA-N 2 0 296.415 1.164 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]CC2CC2)C1 ZINC001399267867 976403988 /nfs/dbraw/zinc/40/39/88/976403988.db2.gz ATOOICSETJSFHE-LSDHHAIUSA-N 2 0 281.444 1.754 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001406815692 976418945 /nfs/dbraw/zinc/41/89/45/976418945.db2.gz KEYFCYGNRXTONI-GJZGRUSLSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H](NC(=O)CC[NH+](C)C)[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC001402795124 976483368 /nfs/dbraw/zinc/48/33/68/976483368.db2.gz VSUYJYYIRPRCIU-DZGCQCFKSA-N 2 0 281.444 1.565 10 0 CDAERP O=C(NCC1([NH2+]CCF)CC1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001406935694 976484296 /nfs/dbraw/zinc/48/42/96/976484296.db2.gz HADLELNOCOJYGI-QWHCGFSZSA-N 2 0 283.391 1.211 10 0 CDAERP CC(C)C[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001406971222 976497501 /nfs/dbraw/zinc/49/75/01/976497501.db2.gz DFMCZNLERGRWSV-HUUCEWRRSA-N 2 0 293.455 1.898 10 0 CDAERP CC(C)C[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001406971256 976497836 /nfs/dbraw/zinc/49/78/36/976497836.db2.gz DFMCZNLERGRWSV-LSDHHAIUSA-N 2 0 293.455 1.898 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC2([NH2+]CCF)CC2)C1 ZINC001406986340 976502654 /nfs/dbraw/zinc/50/26/54/976502654.db2.gz HZPZCPQQNCNWAI-CHWSQXEVSA-N 2 0 285.407 1.315 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CC[C@](C)(C[NH2+]CC3CC3)C2)CC[N@@H+]1C ZINC001407225587 976609782 /nfs/dbraw/zinc/60/97/82/976609782.db2.gz FZRAJSBFNANCBW-FRFSOERESA-N 2 0 293.455 1.565 10 0 CDAERP C[C@H](F)CC[NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001402991362 976647195 /nfs/dbraw/zinc/64/71/95/976647195.db2.gz DUMWPGKUJATGBL-STQMWFEESA-N 2 0 287.423 1.703 10 0 CDAERP CC[N@@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)C[C@@H]1C ZINC001381164527 976698724 /nfs/dbraw/zinc/69/87/24/976698724.db2.gz CZIHVDJOXFKHBS-KBPBESRZSA-N 2 0 297.443 1.086 10 0 CDAERP CC[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CCC1CC1)[NH+](C)C ZINC001399847264 976700520 /nfs/dbraw/zinc/70/05/20/976700520.db2.gz GEOSKLKVDNIDLU-HUUCEWRRSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(F)c1 ZINC001403145949 976762731 /nfs/dbraw/zinc/76/27/31/976762731.db2.gz VPRDJNWGYXTJQD-GXTWGEPZSA-N 2 0 293.386 1.372 10 0 CDAERP C[C@H](NC(=O)CC[NH+](C)C)C1C[NH+](CCC(C)(C)C)C1 ZINC001403323381 976880293 /nfs/dbraw/zinc/88/02/93/976880293.db2.gz KVPQMHDCPSMHEK-ZDUSSCGKSA-N 2 0 283.460 1.811 10 0 CDAERP CC[C@@H](F)C[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001400226164 976939405 /nfs/dbraw/zinc/93/94/05/976939405.db2.gz FQCRRHZAUYRTFI-ZIAGYGMSSA-N 2 0 287.423 1.467 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H]1C[N@H+](C)C/C=C\Cl ZINC001408342783 977016178 /nfs/dbraw/zinc/01/61/78/977016178.db2.gz NVCFTRLDMUDVBI-UJZCVKTISA-N 2 0 287.835 1.613 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N(C)C[C@H](C)[NH2+]C(C)C ZINC001403558529 977063129 /nfs/dbraw/zinc/06/31/29/977063129.db2.gz RLEGQPXJLUNPNP-STQMWFEESA-N 2 0 275.412 1.511 10 0 CDAERP CC[C@H](F)C[NH2+]CC1(NC(=O)[C@@H]2CCC[N@@H+]2C)CCCC1 ZINC001391760197 977090465 /nfs/dbraw/zinc/09/04/65/977090465.db2.gz ASARZSMBUSDHDZ-KBPBESRZSA-N 2 0 299.434 1.847 10 0 CDAERP COC[C@H](C)[NH2+]C[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001391945317 977159620 /nfs/dbraw/zinc/15/96/20/977159620.db2.gz ZCDPNSSWAOQTRS-KBPBESRZSA-N 2 0 299.459 1.238 10 0 CDAERP C[C@@H]1[C@@H]([NH2+]CC2CC(C)(C)C2)CCN1C(=O)CC[NH+](C)C ZINC001403736818 977167695 /nfs/dbraw/zinc/16/76/95/977167695.db2.gz BSFZKULCDFFJHN-HIFRSBDPSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CCF)[NH+]1CCCC1 ZINC001382170729 977201946 /nfs/dbraw/zinc/20/19/46/977201946.db2.gz ZDPCFYYLWAAXNE-ZIAGYGMSSA-N 2 0 287.423 1.513 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCC(C)C)C[C@@H]1C ZINC001382316150 977247563 /nfs/dbraw/zinc/24/75/63/977247563.db2.gz OMCPQIOIRGUEQT-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@@H](F)C[N@H+](CC)CCNC(=O)C[NH+]1CCCC1 ZINC001403941678 977274673 /nfs/dbraw/zinc/27/46/73/977274673.db2.gz UJARXXYMZKVZIG-CYBMUJFWSA-N 2 0 273.396 1.268 10 0 CDAERP CC[NH+]1CCC([C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001403984250 977295094 /nfs/dbraw/zinc/29/50/94/977295094.db2.gz IYSOJDRTJIVCTP-ZFWWWQNUSA-N 2 0 283.460 1.809 10 0 CDAERP C[C@H](NC(=O)CC[NH+](C)C)C1CC[NH+](CCCF)CC1 ZINC001382557825 977307499 /nfs/dbraw/zinc/30/74/99/977307499.db2.gz AYEZOCNQVUMKON-ZDUSSCGKSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@@H](C[N@H+](C)CCOC1CCC1)NC(=O)[C@@H]1CCC[NH+]1C ZINC001392646051 977525120 /nfs/dbraw/zinc/52/51/20/977525120.db2.gz WYSJGZUXWYYSBA-ZFWWWQNUSA-N 2 0 297.443 1.086 10 0 CDAERP CN(CCC[N@H+](C)CCF)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001393623856 977867079 /nfs/dbraw/zinc/86/70/79/977867079.db2.gz ZQDJZJXGFBAZIQ-AWEZNQCLSA-N 2 0 287.423 1.611 10 0 CDAERP CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001393664347 977887000 /nfs/dbraw/zinc/88/70/00/977887000.db2.gz MSQOCTHEVHMRJY-ZIAGYGMSSA-N 2 0 281.444 1.707 10 0 CDAERP CC[NH2+][C@@H](C)[C@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001393962029 977986213 /nfs/dbraw/zinc/98/62/13/977986213.db2.gz YKAFCGVTXRIEMD-KBPBESRZSA-N 2 0 291.439 1.907 10 0 CDAERP CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001394224920 978111383 /nfs/dbraw/zinc/11/13/83/978111383.db2.gz OUEQCTBHAQBBHM-OCCSQVGLSA-N 2 0 287.423 1.513 10 0 CDAERP C[NH+](C)CCCC(=O)NCC1[C@H]2C[N@@H+](C/C=C\Cl)C[C@@H]12 ZINC001394303061 978128809 /nfs/dbraw/zinc/12/88/09/978128809.db2.gz ATIUVKKNYLDEHK-UJUBFFBPSA-N 2 0 299.846 1.375 10 0 CDAERP CC[NH+]1CCC([C@H](C)NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001394844817 978281496 /nfs/dbraw/zinc/28/14/96/978281496.db2.gz JCILOWHONOZFBV-ZDUSSCGKSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@@H](C)C[NH2+]C1CC(N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001394857363 978285892 /nfs/dbraw/zinc/28/58/92/978285892.db2.gz HFZWGHJSWRPYQM-WLYUNCDWSA-N 2 0 295.471 1.953 10 0 CDAERP CC/C=C\CC[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001492853269 978545513 /nfs/dbraw/zinc/54/55/13/978545513.db2.gz CQDMXNKOZBFZFD-GXMNPTEKSA-N 2 0 267.417 1.342 10 0 CDAERP CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001676346306 1174211347 /nfs/dbraw/zinc/21/13/47/1174211347.db2.gz DDOXJYGIVGCFBT-KGLIPLIRSA-N 2 0 269.433 1.706 10 0 CDAERP CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001676782580 1174270660 /nfs/dbraw/zinc/27/06/60/1174270660.db2.gz HNAYYNOUJMQKCB-HUUCEWRRSA-N 2 0 281.444 1.851 10 0 CDAERP COCCCC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001677386106 1174355192 /nfs/dbraw/zinc/35/51/92/1174355192.db2.gz NUBCCALDLHNBAC-YMAMQOFZSA-N 2 0 297.443 1.086 10 0 CDAERP CC[N@H+](C)CCCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001570204199 1170111903 /nfs/dbraw/zinc/11/19/03/1170111903.db2.gz IIRUWROZNMKTFT-UHFFFAOYSA-N 2 0 269.433 1.661 10 0 CDAERP CC[NH2+]CCCOC1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001570789521 1170279651 /nfs/dbraw/zinc/27/96/51/1170279651.db2.gz STJBMDGWYDAYAM-HNNXBMFYSA-N 2 0 299.459 1.334 10 0 CDAERP CCC[N@H+](C)CC(=O)NCC1=CC[NH+](C[C@@H](F)CC)CC1 ZINC001571699452 1170527284 /nfs/dbraw/zinc/52/72/84/1170527284.db2.gz REBJFVQNPHNRIP-HNNXBMFYSA-N 2 0 299.434 1.825 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000094648004 342456399 /nfs/dbraw/zinc/45/63/99/342456399.db2.gz DPKOAXPPHFDFTK-JHJVBQTASA-N 2 0 255.406 1.221 10 0 CDAERP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000247318713 343979204 /nfs/dbraw/zinc/97/92/04/343979204.db2.gz SEJCBDUSAZLQSU-RVMXOQNASA-N 2 0 253.390 1.090 10 0 CDAERP C[C@H](CNC(=O)N[C@H]1CCC[N@H+](C)C1)C[NH+]1CCCC1 ZINC000618556681 349482889 /nfs/dbraw/zinc/48/28/89/349482889.db2.gz HWOKYHRGUVEYEM-KGLIPLIRSA-N 2 0 282.432 1.112 10 0 CDAERP Cn1c(C[NH2+]CCC2(C[NH3+])CC2)nc2ccccc21 ZINC000650712536 398155756 /nfs/dbraw/zinc/15/57/56/398155756.db2.gz ISQQFZNBQIXWBI-UHFFFAOYSA-N 2 0 258.369 1.792 10 0 CDAERP Cn1cc(C[NH2+]CCC2(C[NH3+])CC2)c(-c2ccncc2)n1 ZINC000650712618 398155919 /nfs/dbraw/zinc/15/59/19/398155919.db2.gz MCEIYHJZXKIRJK-UHFFFAOYSA-N 2 0 285.395 1.701 10 0 CDAERP Cn1c2ccc(C[NH2+]CCC3(C[NH3+])CC3)cc2sc1=O ZINC000650714028 398156713 /nfs/dbraw/zinc/15/67/13/398156713.db2.gz NRESKSZRLGPSFY-UHFFFAOYSA-N 2 0 291.420 1.819 10 0 CDAERP CC(C)[C@H]([NH3+])C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000038101723 398177640 /nfs/dbraw/zinc/17/76/40/398177640.db2.gz ASTIPGOMNOHKJC-ZDUSSCGKSA-N 2 0 253.390 1.057 10 0 CDAERP Cc1cnn(CC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000388612121 398196593 /nfs/dbraw/zinc/19/65/93/398196593.db2.gz CQFWGJUKRGSVGN-LSDHHAIUSA-N 2 0 262.401 1.656 10 0 CDAERP CCO[C@@H](C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1)C1CC1 ZINC000625252751 342050976 /nfs/dbraw/zinc/05/09/76/342050976.db2.gz JKUOFXZMEDLEMW-SJORKVTESA-N 2 0 295.471 1.513 10 0 CDAERP C[NH+](C)C[C@H]1CCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)C1 ZINC000418426338 282134415 /nfs/dbraw/zinc/13/44/15/282134415.db2.gz JQJXZKLUJFRZIP-UKRRQHHQSA-N 2 0 290.411 1.280 10 0 CDAERP CCO[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[N@@H+]2C)[C@@H]1SC ZINC000592172956 342678812 /nfs/dbraw/zinc/67/88/12/342678812.db2.gz MRDYXAREJBPCEX-SYQHCUMBSA-N 2 0 272.458 1.969 10 0 CDAERP C[NH+](C)C[C@](C)(O)C[NH2+][C@H]1CCCC12CCOCC2 ZINC000376590834 282144148 /nfs/dbraw/zinc/14/41/48/282144148.db2.gz QSUVJVVHSNCPMS-UONOGXRCSA-N 2 0 270.417 1.238 10 0 CDAERP CCOC(=O)COCC[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000351711299 361884740 /nfs/dbraw/zinc/88/47/40/361884740.db2.gz HELUGJZWFPIMNK-ZIAGYGMSSA-N 2 0 286.416 1.228 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000629399332 361935902 /nfs/dbraw/zinc/93/59/02/361935902.db2.gz PPJACAFZVAYTPY-UHFFFAOYSA-N 2 0 282.775 1.443 10 0 CDAERP C[C@@H](C[NH2+]CC1(C)CCC1)CN1CC[NH+](C)CC1 ZINC000434762032 539044436 /nfs/dbraw/zinc/04/44/36/539044436.db2.gz FIZOYWUFILSXRS-AWEZNQCLSA-N 2 0 253.434 1.650 10 0 CDAERP CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000333721040 539054695 /nfs/dbraw/zinc/05/46/95/539054695.db2.gz UOKNVXWLSXVRGH-CQSZACIVSA-N 2 0 282.432 1.301 10 0 CDAERP CCOC(=O)[C@H](CC)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600745977 342247450 /nfs/dbraw/zinc/24/74/50/342247450.db2.gz RKXUWAOKYAEHLH-FPMFFAJLSA-N 2 0 254.374 1.260 10 0 CDAERP CC[NH+](CC)[C@@H](C)CNC(=O)N(C)CCC[NH+](C)C ZINC000185366861 539147005 /nfs/dbraw/zinc/14/70/05/539147005.db2.gz ICTKAJYUHDPGBM-ZDUSSCGKSA-N 2 0 272.437 1.310 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+][C@@H](C)CSCCF)CC1 ZINC000595007825 342990059 /nfs/dbraw/zinc/99/00/59/342990059.db2.gz PKPHTAUERPLJGP-AWEZNQCLSA-N 2 0 291.480 1.695 10 0 CDAERP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CCC[N@H+](C)C(C)C ZINC000594914997 342984558 /nfs/dbraw/zinc/98/45/58/342984558.db2.gz OGLKXMHXLUUVLN-FRRDWIJNSA-N 2 0 256.390 1.504 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000594916916 342985528 /nfs/dbraw/zinc/98/55/28/342985528.db2.gz CXMCRKQBTGEWAG-AAVRWANBSA-N 2 0 268.401 1.504 10 0 CDAERP C[C@H](CSCCF)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000595018891 342995938 /nfs/dbraw/zinc/99/59/38/342995938.db2.gz UHSLJWZLIQDMFF-NEPJUHHUSA-N 2 0 264.410 1.124 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000623689744 349759426 /nfs/dbraw/zinc/75/94/26/349759426.db2.gz VNLOFPITIZCLPO-OAHLLOKOSA-N 2 0 296.459 1.502 10 0 CDAERP C[C@H](CC(=O)NC[C@@H]1CCC[N@@H+]1C)n1ccnc1 ZINC000629452382 362054241 /nfs/dbraw/zinc/05/42/41/362054241.db2.gz QMWYWELJUPJXQA-NEPJUHHUSA-N 2 0 250.346 1.045 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CC2CCOCC2)CC1 ZINC000171829229 362072491 /nfs/dbraw/zinc/07/24/91/362072491.db2.gz CONXNJUFUXIZDC-QGZVFWFLSA-N 2 0 295.471 1.515 10 0 CDAERP CSCC[C@H](C)[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000595886779 343180665 /nfs/dbraw/zinc/18/06/65/343180665.db2.gz YTYIBGIFHHYEOG-NWDGAFQWSA-N 2 0 258.431 1.581 10 0 CDAERP Cc1cccc2c1C[C@H]([NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+])CO2 ZINC000629514158 362128496 /nfs/dbraw/zinc/12/84/96/362128496.db2.gz JTEBPQZMUILZFF-BFJAYTPKSA-N 2 0 290.407 1.640 10 0 CDAERP C[C@@H](CNc1nc(N)[nH+]c2c1CCCC2)C[NH+]1CCCC1 ZINC000645130243 362142661 /nfs/dbraw/zinc/14/26/61/362142661.db2.gz VCPVOXOZJALWRD-LBPRGKRZSA-N 2 0 289.427 1.334 10 0 CDAERP [NH3+]C1(C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)CCOCC1 ZINC000629523711 362140213 /nfs/dbraw/zinc/14/02/13/362140213.db2.gz IFZWUZCITRDQKO-RRFJBIMHSA-N 2 0 282.428 1.679 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000629528187 362152488 /nfs/dbraw/zinc/15/24/88/362152488.db2.gz RTSZONLEXZDWIF-KHMAMNHCSA-N 2 0 251.418 1.589 10 0 CDAERP C(CC[NH2+][C@@H]1C[C@@H]2COC[C@H]12)CC[NH+]1CCCC1 ZINC001658206107 1172025485 /nfs/dbraw/zinc/02/54/85/1172025485.db2.gz VDZNVNNUKARBIP-QLFBSQMISA-N 2 0 252.402 1.877 10 0 CDAERP COC(=O)C1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000597084769 343445585 /nfs/dbraw/zinc/44/55/85/343445585.db2.gz BVWQNUJYCFGMQH-UHFFFAOYSA-N 2 0 286.335 1.310 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000566206319 370646130 /nfs/dbraw/zinc/64/61/30/370646130.db2.gz XMAYKAHZMCADIA-HUUCEWRRSA-N 2 0 281.444 1.838 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000262664049 344696760 /nfs/dbraw/zinc/69/67/60/344696760.db2.gz HWZWPGTWOKPSFK-QNWHQSFQSA-N 2 0 253.390 1.103 10 0 CDAERP C[NH+](C)CC[C@@H](NC(=O)N[C@H]1CCC[N@H+](C)C1)C(C)(C)C ZINC000604814844 344937320 /nfs/dbraw/zinc/93/73/20/344937320.db2.gz POMWZZOGFPTHDD-UONOGXRCSA-N 2 0 298.475 1.746 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000571443553 362528536 /nfs/dbraw/zinc/52/85/36/362528536.db2.gz GMRULRFXHJVITI-NWBUJAPZSA-N 2 0 253.390 1.149 10 0 CDAERP CN(C(=O)c1conc1C(C)(C)[NH3+])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000572973796 362610175 /nfs/dbraw/zinc/61/01/75/362610175.db2.gz BNMFPQLZOWQSMU-NSHDSACASA-N 2 0 292.383 1.177 10 0 CDAERP C[C@@H](CN1CCOCC1)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623358187 346086594 /nfs/dbraw/zinc/08/65/94/346086594.db2.gz SHWIEGXKDPZDRD-KBPBESRZSA-N 2 0 269.433 1.170 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@H]2[NH3+])CC1 ZINC000085358768 179031242 /nfs/dbraw/zinc/03/12/42/179031242.db2.gz XJSHRUOUEZSHDA-QWHCGFSZSA-N 2 0 253.390 1.057 10 0 CDAERP COc1ccccc1C[NH2+]C[C@H]1CCCCN1CCO ZINC000449396582 362692230 /nfs/dbraw/zinc/69/22/30/362692230.db2.gz SJGPCJMOFYNISF-OAHLLOKOSA-N 2 0 278.396 1.632 10 0 CDAERP CCN(CCC[NH+](CC)CC)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000230712687 482558469 /nfs/dbraw/zinc/55/84/69/482558469.db2.gz NJNGWUPAJPNPRF-LSDHHAIUSA-N 2 0 283.460 1.942 10 0 CDAERP C[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C[N@@H+]1CCn1cccn1 ZINC000085624406 179107142 /nfs/dbraw/zinc/10/71/42/179107142.db2.gz NQJPAKUCDIDDCD-ZIAGYGMSSA-N 2 0 264.417 1.982 10 0 CDAERP CC1([NH3+])COC(c2ccccc2)([C@@H]2CCCC[NH2+]2)OC1 ZINC000584614662 346500266 /nfs/dbraw/zinc/50/02/66/346500266.db2.gz BWYDJNHATYNBEG-FHERZECASA-N 2 0 276.380 1.746 10 0 CDAERP O=C(NC1CC[NH+](C2CCCCC2)CC1)C1C[NH2+]C1 ZINC000263319279 362772755 /nfs/dbraw/zinc/77/27/55/362772755.db2.gz QXUGEIDFPCUVKE-UHFFFAOYSA-N 2 0 265.401 1.119 10 0 CDAERP C[C@@]1(NC(=O)NCC2([NH3+])CCCCCC2)CC[NH2+]C1 ZINC000612911575 347323698 /nfs/dbraw/zinc/32/36/98/347323698.db2.gz MEKNTCFDCRFWJN-CYBMUJFWSA-N 2 0 268.405 1.089 10 0 CDAERP C[C@@H]1C[NH2+]CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000306635898 362835899 /nfs/dbraw/zinc/83/58/99/362835899.db2.gz LNSZDSDSGMOZPM-WBVHZDCISA-N 2 0 273.424 1.802 10 0 CDAERP C1CCC([C@@H]2CN([C@@H]3C[NH+]4CCC3CC4)CC[NH2+]2)CC1 ZINC000086124884 179235849 /nfs/dbraw/zinc/23/58/49/179235849.db2.gz SDFGRAQGNJKAPS-DLBZAZTESA-N 2 0 277.456 1.935 10 0 CDAERP CC(C)[C@@H]1C[NH2+][C@@H](C)CN1C[C@@H]1CCCC[N@@H+]1C ZINC000086173764 179244771 /nfs/dbraw/zinc/24/47/71/179244771.db2.gz SCDZTSXZRRUXDW-KKUMJFAQSA-N 2 0 253.434 1.789 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CN2CC[NH2+]C3(CCCC3)C2)C1 ZINC000086146515 179238895 /nfs/dbraw/zinc/23/88/95/179238895.db2.gz NEELLHWKRHXWTL-HNNXBMFYSA-N 2 0 265.445 1.935 10 0 CDAERP CC[C@H]1C[NH2+][C@](C)(C2CC2)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223087 179250817 /nfs/dbraw/zinc/25/08/17/179250817.db2.gz LAEGUXUIPWYMII-KBMXLJTQSA-N 2 0 265.445 1.791 10 0 CDAERP C[C@@H]1C[NH2+][C@H](c2ccccc2)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223078 179251292 /nfs/dbraw/zinc/25/12/92/179251292.db2.gz TVJJSSATBFIRJG-INMHGKMJSA-N 2 0 273.424 1.973 10 0 CDAERP C[C@H]1CN(C(=O)NC/C=C\C[NH3+])CC[N@@H+](C2CCC2)C1 ZINC000641863112 365947915 /nfs/dbraw/zinc/94/79/15/365947915.db2.gz XZJDVCNUXLNOAZ-XQJDBVBESA-N 2 0 280.416 1.017 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000623706711 350346743 /nfs/dbraw/zinc/34/67/43/350346743.db2.gz KJWSZSFPPWHLFE-HUUCEWRRSA-N 2 0 298.475 1.748 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000623706709 350346901 /nfs/dbraw/zinc/34/69/01/350346901.db2.gz KJWSZSFPPWHLFE-CABCVRRESA-N 2 0 298.475 1.748 10 0 CDAERP C[NH+](C)CCC[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CCO1 ZINC000620967362 350389057 /nfs/dbraw/zinc/38/90/57/350389057.db2.gz RPHHXGPHLNVMHE-LSDHHAIUSA-N 2 0 297.443 1.040 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000629535168 362961245 /nfs/dbraw/zinc/96/12/45/362961245.db2.gz BTIIPOLJNACONJ-RRFJBIMHSA-N 2 0 270.417 1.537 10 0 CDAERP CC(=O)N1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000621773106 350769411 /nfs/dbraw/zinc/76/94/11/350769411.db2.gz GDEMIJDOONDLMR-KBUPBQIOSA-N 2 0 265.401 1.070 10 0 CDAERP CCn1nccc1CC[NH+]1CCC(C[NH2+]C)CC1 ZINC000621774585 350771158 /nfs/dbraw/zinc/77/11/58/350771158.db2.gz XYFPIYIDEBWTQK-UHFFFAOYSA-N 2 0 250.390 1.377 10 0 CDAERP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NC/C=C\C[NH3+] ZINC000629558915 363001788 /nfs/dbraw/zinc/00/17/88/363001788.db2.gz YABAGAFIPIFPHF-NQHOJNORSA-N 2 0 282.432 1.311 10 0 CDAERP CCc1cccc(C[N@H+](C)CCOCC[NH2+]C)c1 ZINC000629570695 363017755 /nfs/dbraw/zinc/01/77/55/363017755.db2.gz BDGHSYCKMJTURN-UHFFFAOYSA-N 2 0 250.386 1.917 10 0 CDAERP C[NH+](C)CC1CCC([NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000629569408 363021454 /nfs/dbraw/zinc/02/14/54/363021454.db2.gz BYRIVXRWCXMBML-UYSNPLJNSA-N 3 0 283.460 1.153 10 0 CDAERP [NH3+]C[C@@H]1CCN(Cc2occc2Br)C1 ZINC000236219056 363032787 /nfs/dbraw/zinc/03/27/87/363032787.db2.gz LWJGOCLACRWJHO-QMMMGPOBSA-N 2 0 259.147 1.823 10 0 CDAERP COC[C@H](CC1CCOCC1)[NH2+]C[C@@H]1CCCN1C ZINC000624272056 351528204 /nfs/dbraw/zinc/52/82/04/351528204.db2.gz UZTJNAQWJAKMDW-GJZGRUSLSA-N 2 0 270.417 1.502 10 0 CDAERP C[C@@H](CNC(=O)N[C@H]1CCCC[NH2+]C1)[NH+]1CCC(C)CC1 ZINC000333717986 363115995 /nfs/dbraw/zinc/11/59/95/363115995.db2.gz GFXSDXDEYBJSJU-GJZGRUSLSA-N 2 0 296.459 1.548 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000333852944 363190520 /nfs/dbraw/zinc/19/05/20/363190520.db2.gz XREGQFAWJBWNSZ-YUTCNCBUSA-N 2 0 280.416 1.134 10 0 CDAERP C[C@H]1CC[N@@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC1(C)C ZINC000352326554 363222842 /nfs/dbraw/zinc/22/28/42/363222842.db2.gz JLBSKQVJOYAYOE-QWHCGFSZSA-N 2 0 295.427 1.044 10 0 CDAERP C[C@H](Cc1ccccc1)C[N@H+](C)CCOCC[NH3+] ZINC000629662101 363317663 /nfs/dbraw/zinc/31/76/63/363317663.db2.gz CQHYZUOBYCIVKS-CQSZACIVSA-N 2 0 250.386 1.772 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1nccn1-c1ccccc1 ZINC000629681933 363331369 /nfs/dbraw/zinc/33/13/69/363331369.db2.gz VUXGGCZWSFGHCY-UHFFFAOYSA-N 2 0 274.368 1.327 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC[C@H](O)C(F)(F)F)CC1(C)C ZINC000628278929 363365579 /nfs/dbraw/zinc/36/55/79/363365579.db2.gz MTCYTSGVJKXUAS-UWVGGRQHSA-N 2 0 268.323 1.762 10 0 CDAERP C[NH+](C)CCN(CC[NH+](C)C)C[C@@]1(C)CCCS1 ZINC000628279204 363365909 /nfs/dbraw/zinc/36/59/09/363365909.db2.gz ZLOYMIFVQCWSMA-CQSZACIVSA-N 2 0 273.490 1.697 10 0 CDAERP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000356215114 366177658 /nfs/dbraw/zinc/17/76/58/366177658.db2.gz KWXMIGHDTZBMRZ-NEPJUHHUSA-N 2 0 255.406 1.364 10 0 CDAERP C[C@@H]1C[C@H](C)[C@H](C)[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000414755038 366232971 /nfs/dbraw/zinc/23/29/71/366232971.db2.gz HAPJFCBBNXAESQ-QPSCCSFWSA-N 2 0 281.444 1.550 10 0 CDAERP Cc1nccc(NCCCC[NH+]2CCOCC2)n1 ZINC000266154946 363501355 /nfs/dbraw/zinc/50/13/55/363501355.db2.gz UTYCDQVKQCGBMB-UHFFFAOYSA-N 2 0 250.346 1.309 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634767512 358507496 /nfs/dbraw/zinc/50/74/96/358507496.db2.gz ZUWWWBPTSMULJZ-IPYPFGDCSA-N 2 0 267.417 1.223 10 0 CDAERP CN(C[C@H](O)C[NH2+]C1CCC(OC(F)F)CC1)C1CC1 ZINC000644662803 366327553 /nfs/dbraw/zinc/32/75/53/366327553.db2.gz DTFGHMMPKGNRIM-YXMLORGKSA-N 2 0 292.370 1.582 10 0 CDAERP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000164962508 363563069 /nfs/dbraw/zinc/56/30/69/363563069.db2.gz KAAKNGGYIMZEQV-AEGPPILISA-N 2 0 283.460 1.987 10 0 CDAERP [NH3+][C@H]1CCC[C@H](C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000070574166 356898962 /nfs/dbraw/zinc/89/89/62/356898962.db2.gz CSGMROAWMCHVLX-KBPBESRZSA-N 2 0 267.417 1.496 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)[NH+](C)C ZINC000180182048 357249812 /nfs/dbraw/zinc/24/98/12/357249812.db2.gz ACORKRMMPCTGRR-HRCADAONSA-N 2 0 289.423 1.888 10 0 CDAERP C[C@H](C[NH2+]C[C@H](O)C[C@@](C)(O)C1CC1)C[NH+]1CCCC1 ZINC000634700910 357371432 /nfs/dbraw/zinc/37/14/32/357371432.db2.gz HFOUOKIIFFEREQ-FVQBIDKESA-N 2 0 284.444 1.220 10 0 CDAERP NC(=[NH2+])Nc1ccc(C(=O)Oc2ccc(C(N)=[NH2+])cc2)cc1 ZINC000253495346 283262450 /nfs/dbraw/zinc/26/24/50/283262450.db2.gz ADIPJEFYXRCVED-UHFFFAOYSA-N 2 0 297.318 1.495 10 0 CDAERP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[NH2+]C2)[C@@H]1C ZINC000423573123 291125244 /nfs/dbraw/zinc/12/52/44/291125244.db2.gz YWKDEYLWHSZZRA-RFGFWPKPSA-N 2 0 268.401 1.696 10 0 CDAERP c1cn(CCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)nn1 ZINC000126461670 358209397 /nfs/dbraw/zinc/20/93/97/358209397.db2.gz MKCVPANFPDMDRS-QLFBSQMISA-N 2 0 277.416 1.569 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634761798 358430591 /nfs/dbraw/zinc/43/05/91/358430591.db2.gz JJYVKPPYVDGWBG-GFCCVEGCSA-N 2 0 255.406 1.223 10 0 CDAERP C[C@H](CNC(=O)C[C@@H]1CCC[NH2+]C1)C[NH+]1CCCC1 ZINC000062076559 358800426 /nfs/dbraw/zinc/80/04/26/358800426.db2.gz FVMLUCJOFWQDHL-KGLIPLIRSA-N 2 0 267.417 1.224 10 0 CDAERP C[N@H+](C[C@@]1(C)CC[NH2+]C1)C1CCN(c2cnccn2)CC1 ZINC000261940823 359096943 /nfs/dbraw/zinc/09/69/43/359096943.db2.gz DQMQFEHTQAPWTE-INIZCTEOSA-N 2 0 289.427 1.377 10 0 CDAERP CCCC(=O)NC[C@H]1CCC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261954894 359102854 /nfs/dbraw/zinc/10/28/54/359102854.db2.gz GOPVADVDTFYZSC-GDBMZVCRSA-N 2 0 281.444 1.614 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)[C@@H]1CC[NH+](C2CC2)C1 ZINC000346969079 359115024 /nfs/dbraw/zinc/11/50/24/359115024.db2.gz KIPUBBQUMYKGSF-VNHYZAJKSA-N 2 0 279.428 1.554 10 0 CDAERP C[NH+]1CCC(CC(=O)NCC[NH+]2CCCCC2)CC1 ZINC000347025752 359148630 /nfs/dbraw/zinc/14/86/30/359148630.db2.gz OTNFZTAEPPQGOH-UHFFFAOYSA-N 2 0 267.417 1.320 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)CC[NH2+]1 ZINC000262430449 359165029 /nfs/dbraw/zinc/16/50/29/359165029.db2.gz WKUVEQDJNXKCFQ-BPUTZDHNSA-N 2 0 293.455 1.565 10 0 CDAERP CCC[C@@](C)([NH3+])C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000262506639 359175275 /nfs/dbraw/zinc/17/52/75/359175275.db2.gz AFIYSPSYBLDQEI-GDBMZVCRSA-N 2 0 281.444 1.694 10 0 CDAERP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000263107214 359230871 /nfs/dbraw/zinc/23/08/71/359230871.db2.gz AARIJFDRQSRHST-FMKPAKJESA-N 2 0 279.428 1.591 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000336486170 363629890 /nfs/dbraw/zinc/62/98/90/363629890.db2.gz VPXBQBWCNZPBHU-OAHLLOKOSA-N 2 0 279.428 1.273 10 0 CDAERP CCOC[C@@H](O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000069277310 359552776 /nfs/dbraw/zinc/55/27/76/359552776.db2.gz JHSCTQCCHODRJH-HNNXBMFYSA-N 2 0 270.417 1.192 10 0 CDAERP CC(C)c1noc(CCC[NH2+][C@H]2CCC[C@H]2C[NH3+])n1 ZINC000422932739 359684257 /nfs/dbraw/zinc/68/42/57/359684257.db2.gz GOQZXQWRMYAYDZ-RYUDHWBXSA-N 2 0 266.389 1.843 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCOc1ccc(F)c(F)c1 ZINC000422956067 359715245 /nfs/dbraw/zinc/71/52/45/359715245.db2.gz KLIACKXWOLPIQY-LLVKDONJSA-N 2 0 288.338 1.687 10 0 CDAERP C[C@H]1C[C@H]([N@H+](C)CCc2cnn(C)c2)CCN1C ZINC000336708713 359751676 /nfs/dbraw/zinc/75/16/76/359751676.db2.gz LMXNHFORCGZHQV-GXTWGEPZSA-N 2 0 250.390 1.377 10 0 CDAERP CC[C@H](C[NH2+][C@@H](CCC[NH3+])COC)N1CCCC1 ZINC000422967411 359725573 /nfs/dbraw/zinc/72/55/73/359725573.db2.gz SZXCKHGCMJKQNT-UONOGXRCSA-N 2 0 257.422 1.204 10 0 CDAERP CN(CC[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](C2CC2)C1 ZINC000336697896 359732956 /nfs/dbraw/zinc/73/29/56/359732956.db2.gz GAGPLGZTLRNMBG-UKRRQHHQSA-N 2 0 251.418 1.639 10 0 CDAERP CC[C@@H](C(=O)N1CC[NH+]2CCC1CC2)[NH+](CC)CC ZINC000348175178 359873648 /nfs/dbraw/zinc/87/36/48/359873648.db2.gz WVCMTXCWINBFDK-AWEZNQCLSA-N 2 0 267.417 1.413 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000348154649 359858920 /nfs/dbraw/zinc/85/89/20/359858920.db2.gz AUCHOPZSWFSFFH-HZPDHXFCSA-N 2 0 293.455 1.805 10 0 CDAERP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@H](O)C[NH+]3CCCC3)C[C@H]2C1 ZINC000424269323 359986658 /nfs/dbraw/zinc/98/66/58/359986658.db2.gz PDYOCERXZPTZLK-XFIYOXNOSA-N 2 0 282.428 1.236 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000335393098 360147240 /nfs/dbraw/zinc/14/72/40/360147240.db2.gz BMBFIXSUPBOQQA-HOCLYGCPSA-N 2 0 279.428 1.463 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H]1CCC[N@H+](CC)C1 ZINC000337638821 360303498 /nfs/dbraw/zinc/30/34/98/360303498.db2.gz DKPYLPPXFALHNL-HUUCEWRRSA-N 2 0 298.475 1.748 10 0 CDAERP C[C@@H](Cc1c[nH]cn1)C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000569621990 360321985 /nfs/dbraw/zinc/32/19/85/360321985.db2.gz UWXCTSBYHHMZIQ-SMDDNHRTSA-N 2 0 276.384 1.141 10 0 CDAERP [NH3+]C[C@@H]1c2ccccc2CCN1CC[C@@H]1CCC[NH2+]C1 ZINC000515301091 360470584 /nfs/dbraw/zinc/47/05/84/360470584.db2.gz NCFQNKIERNXLQI-WMLDXEAASA-N 2 0 273.424 1.934 10 0 CDAERP O=C([C@@H]1CCC[NH2+]1)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000373040658 296015366 /nfs/dbraw/zinc/01/53/66/296015366.db2.gz UNEIGSUAUVINHF-KGLIPLIRSA-N 2 0 265.401 1.215 10 0 CDAERP Cn1cncc1CC[NH2+][C@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000515239356 360461460 /nfs/dbraw/zinc/46/14/60/360461460.db2.gz ARNMFSJUFNYEDO-SOUVJXGZSA-N 2 0 262.401 1.425 10 0 CDAERP C[C@]1(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)CC[NH2+]C1 ZINC000515650285 360527905 /nfs/dbraw/zinc/52/79/05/360527905.db2.gz QINSFWMTQHCULT-HOCLYGCPSA-N 2 0 282.428 1.504 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)NCC2([NH+](C)C)CCCCC2)C[NH2+]1 ZINC000626920177 360636583 /nfs/dbraw/zinc/63/65/83/360636583.db2.gz VKVRPLGLAZNFIO-KGLIPLIRSA-N 2 0 296.459 1.691 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@@H]2CC[NH2+][C@H]2CC)C1 ZINC000626947894 360686517 /nfs/dbraw/zinc/68/65/17/360686517.db2.gz ZZYFNLKNEASLME-MELADBBJSA-N 2 0 282.432 1.158 10 0 CDAERP O=C([C@@H]1CCC[NH2+]C1)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000167770218 296019540 /nfs/dbraw/zinc/01/95/40/296019540.db2.gz MLSQECODLZLTEH-HUUCEWRRSA-N 2 0 279.428 1.463 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)NCC[NH+]1CCCCC1 ZINC000431733570 361040209 /nfs/dbraw/zinc/04/02/09/361040209.db2.gz RLZDDRZHUNJLOO-HNNXBMFYSA-N 2 0 281.444 1.853 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN[C@@H]1CCC[NH2+]C1 ZINC000520540297 361537003 /nfs/dbraw/zinc/53/70/03/361537003.db2.gz FZKAJUSEMPEVJM-CQSZACIVSA-N 2 0 271.368 1.417 10 0 CDAERP C[C@@H]1C[C@H]1C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000351219112 361623066 /nfs/dbraw/zinc/62/30/66/361623066.db2.gz BGJNDWOUEXVQFQ-OWCLPIDISA-N 2 0 265.445 1.744 10 0 CDAERP CC(C)[NH+]1CCN(CCC[NH2+][C@H](C)[C@@H]2CCCO2)CC1 ZINC000193007851 364118642 /nfs/dbraw/zinc/11/86/42/364118642.db2.gz UKHQEAOBVFGDTH-CVEARBPZSA-N 2 0 283.460 1.560 10 0 CDAERP OC1(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)CCC1 ZINC000639682952 364396649 /nfs/dbraw/zinc/39/66/49/364396649.db2.gz NJQQJDSFLQUFNI-UHFFFAOYSA-N 2 0 261.369 1.509 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)N(C)CCC[NH+](C)C)C[N@@H+]1C1CC1 ZINC000186414901 364578912 /nfs/dbraw/zinc/57/89/12/364578912.db2.gz TUYUNSBNZCFEIA-OLZOCXBDSA-N 2 0 282.432 1.205 10 0 CDAERP O[C@H](C[C@H]1COCCN1CCn1ccnc1)c1ccco1 ZINC000163321317 364711056 /nfs/dbraw/zinc/71/10/56/364711056.db2.gz MNNFBUMZZNUITB-UONOGXRCSA-N 2 0 291.351 1.301 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)N1CCCN(Cc2cscn2)CC1 ZINC000580712052 364714067 /nfs/dbraw/zinc/71/40/67/364714067.db2.gz VJLOVVWVINWSSJ-GFCCVEGCSA-N 2 0 296.440 1.305 10 0 CDAERP C[N@H+]1CC=C(C[NH2+]Cc2ccc3c[nH]nc3c2)CC1 ZINC000271923673 365011763 /nfs/dbraw/zinc/01/17/63/365011763.db2.gz VAAWHGBHDTVBLR-UHFFFAOYSA-N 2 0 256.353 1.914 10 0 CDAERP CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353522678 365274161 /nfs/dbraw/zinc/27/41/61/365274161.db2.gz VIPIXLVBNYJEQT-ODXJTPSBSA-N 2 0 272.458 1.561 10 0 CDAERP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCN2C)[C@H]1C ZINC000354212348 365415814 /nfs/dbraw/zinc/41/58/14/365415814.db2.gz QCYXJCBKAPUSPI-XUXIUFHCSA-N 2 0 268.401 1.648 10 0 CDAERP c1ncn(-c2ccc(C[NH2+]CCC[C@H]3CCC[NH2+]3)cc2)n1 ZINC000414974944 241494142 /nfs/dbraw/zinc/49/41/42/241494142.db2.gz NZOZHLCKCSYYAZ-HNNXBMFYSA-N 2 0 285.395 1.889 10 0 CDAERP COc1cc(C)c(C[NH2+]CC[C@@H]2CC[NH2+]C2)c(C)n1 ZINC000414838108 367137034 /nfs/dbraw/zinc/13/70/34/367137034.db2.gz UYRWQUWNDVODFX-ZDUSSCGKSA-N 2 0 263.385 1.796 10 0 CDAERP Cn1cncc1CCC[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000566863608 370829929 /nfs/dbraw/zinc/82/99/29/370829929.db2.gz DDYQHLKQNJUMDP-AWEZNQCLSA-N 2 0 281.425 1.561 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627038977 367280362 /nfs/dbraw/zinc/28/03/62/367280362.db2.gz XQBYVILETCNTOS-AVGNSLFASA-N 2 0 270.421 1.155 10 0 CDAERP C[C@H](NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[C@H]1CCC[NH2+]C1 ZINC000627068221 367337844 /nfs/dbraw/zinc/33/78/44/367337844.db2.gz IDMGSLKSYCHVBI-DARAHFNDSA-N 2 0 294.443 1.016 10 0 CDAERP CC1=CC[NH+](CCNC(=O)N[C@H](C)C[N@H+](C)C(C)C)CC1 ZINC000357903880 367291267 /nfs/dbraw/zinc/29/12/67/367291267.db2.gz MBWIJPPOPINAKL-OAHLLOKOSA-N 2 0 296.459 1.666 10 0 CDAERP C[C@]1(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC[NH2+]C1 ZINC000261880753 291381310 /nfs/dbraw/zinc/38/13/10/291381310.db2.gz QVPKVECXAKDDNN-XIRDDKMYSA-N 2 0 277.456 1.935 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1C[C@H](C)n2ccnc21 ZINC000627052619 367310473 /nfs/dbraw/zinc/31/04/73/367310473.db2.gz RGFFDYZRCSMWBX-NNYUYHANSA-N 2 0 277.372 1.329 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H](C[NH3+])CC(C)C)C1 ZINC000088277875 482929484 /nfs/dbraw/zinc/92/94/84/482929484.db2.gz QJDPQDDJRHPYAQ-KBPBESRZSA-N 2 0 269.433 1.598 10 0 CDAERP O=C(NCCC[NH+]1CCCCC1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000416896153 242216055 /nfs/dbraw/zinc/21/60/55/242216055.db2.gz VOYXJSPRVBQJGJ-CABCVRRESA-N 2 0 294.443 1.256 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000417004065 242261689 /nfs/dbraw/zinc/26/16/89/242261689.db2.gz HQCFBLZCGYEGLU-XQQFMLRXSA-N 2 0 270.421 1.014 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000417011869 242266593 /nfs/dbraw/zinc/26/65/93/242266593.db2.gz UEJKFLQNWLNISH-FRRDWIJNSA-N 2 0 270.421 1.143 10 0 CDAERP C[C@H]1CN(C)C[C@H]1[NH2+]C1CCN(c2nccs2)CC1 ZINC000358401058 367658523 /nfs/dbraw/zinc/65/85/23/367658523.db2.gz LKLBUJZJXUHXAW-WCQYABFASA-N 2 0 280.441 1.652 10 0 CDAERP C[C@@H](NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[C@H](C)[NH3+] ZINC000417050781 242293523 /nfs/dbraw/zinc/29/35/23/242293523.db2.gz XUEYFVLUOGRGKL-HZSPNIEDSA-N 2 0 284.448 1.533 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)NCC2(C)CC[NH+](C)CC2)C[NH2+]1 ZINC000627205147 367699816 /nfs/dbraw/zinc/69/98/16/367699816.db2.gz NCIMGHCCGKJNTD-OLZOCXBDSA-N 2 0 282.432 1.158 10 0 CDAERP CC[NH2+]CC1CCN(C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627207974 367709679 /nfs/dbraw/zinc/70/96/79/367709679.db2.gz VFTCPPSNJICQFA-JSGCOSHPSA-N 2 0 282.432 1.158 10 0 CDAERP CC(C)[N@H+](C)CC1CCN(C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000627238512 367801174 /nfs/dbraw/zinc/80/11/74/367801174.db2.gz XAMCITUAPNHXDF-DZGCQCFKSA-N 2 0 296.459 1.499 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000627245842 367871101 /nfs/dbraw/zinc/87/11/01/367871101.db2.gz SSMSIOBWSSRLHJ-ZQDZILKHSA-N 2 0 294.443 1.158 10 0 CDAERP C[NH+](C)Cc1cccc(NC(=O)C2=CC[C@H]([NH3+])C2)c1 ZINC000638066653 367976511 /nfs/dbraw/zinc/97/65/11/367976511.db2.gz JQTXEQJPZFSSPA-ZDUSSCGKSA-N 2 0 259.353 1.734 10 0 CDAERP C[N@H+](CCNC(=O)C1=CC[C@@H]([NH3+])C1)Cc1ccccc1 ZINC000638080783 368141705 /nfs/dbraw/zinc/14/17/05/368141705.db2.gz QSCFJMVNDWZGLI-OAHLLOKOSA-N 2 0 273.380 1.282 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)NC2CCC([NH3+])CC2)cc1 ZINC000418391432 243020535 /nfs/dbraw/zinc/02/05/35/243020535.db2.gz UZGFHMNXKXDESG-VCANKDNSSA-N 2 0 290.411 1.775 10 0 CDAERP O=C(CC1CC[NH2+]CC1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000366627090 368386977 /nfs/dbraw/zinc/38/69/77/368386977.db2.gz DDNAZIPCKMKMBZ-GJZGRUSLSA-N 2 0 279.428 1.367 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000418562559 243215966 /nfs/dbraw/zinc/21/59/66/243215966.db2.gz GKSNUVKTUWFGKD-YJNKXOJESA-N 2 0 296.459 1.628 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)[C@@H](C)C1 ZINC000418628464 243296083 /nfs/dbraw/zinc/29/60/83/243296083.db2.gz VLMXFXBUUHLWQB-XQLPTFJDSA-N 2 0 296.459 1.499 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CCC1C[NH2+]C1 ZINC000638122305 368511582 /nfs/dbraw/zinc/51/15/82/368511582.db2.gz ONYVIKGDVMYKMY-TZMCWYRMSA-N 2 0 265.401 1.071 10 0 CDAERP C[C@@H](C[NH3+])C[NH2+]Cc1cnc(-c2ccccn2)s1 ZINC000414874708 368557485 /nfs/dbraw/zinc/55/74/85/368557485.db2.gz IVPYKYBGSOFWRZ-JTQLQIEISA-N 2 0 262.382 1.890 10 0 CDAERP C[C@@H]([NH2+]CCSCC(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000423011628 296126387 /nfs/dbraw/zinc/12/63/87/296126387.db2.gz BGHJIWIEKDXRGJ-BDAKNGLRSA-N 2 0 256.337 1.870 10 0 CDAERP C[C@@H](C[NH3+])C[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000414882800 368771206 /nfs/dbraw/zinc/77/12/06/368771206.db2.gz UMMZVIMOOBRLHH-VIFPVBQESA-N 2 0 265.382 1.284 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2(CCO)CC2)[C@H]2CCC[C@H]21 ZINC000367614472 369199076 /nfs/dbraw/zinc/19/90/76/369199076.db2.gz IGCSAQWFOJHNKK-HZSPNIEDSA-N 2 0 252.402 1.611 10 0 CDAERP COCCOCCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000367638755 369204433 /nfs/dbraw/zinc/20/44/33/369204433.db2.gz QJQVMPJQXWWCOG-KFWWJZLASA-N 2 0 270.417 1.502 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2=CCCOC2)[C@@H]2CCC[C@@H]21 ZINC000367904948 369283862 /nfs/dbraw/zinc/28/38/62/369283862.db2.gz SMDIDXHFYSLWSE-KKUMJFAQSA-N 2 0 250.386 1.796 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000420794583 244383423 /nfs/dbraw/zinc/38/34/23/244383423.db2.gz CSEMZKYBONUKAM-KGLIPLIRSA-N 2 0 284.448 1.452 10 0 CDAERP c1cn(CC[N@@H+]2CCC3(C2)Oc2ccccc2O3)cn1 ZINC000289141050 369526342 /nfs/dbraw/zinc/52/63/42/369526342.db2.gz YOUJSYCTBLFCHH-UHFFFAOYSA-N 2 0 271.320 1.757 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000547968580 369702873 /nfs/dbraw/zinc/70/28/73/369702873.db2.gz LPALPYCLAWNPRC-HUUCEWRRSA-N 2 0 286.379 1.825 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C2CC2)[NH+](C)C)CC[N@@H+]1C ZINC000630779545 369999500 /nfs/dbraw/zinc/99/95/00/369999500.db2.gz AOHHGOHMAGGKCR-MJBXVCDLSA-N 2 0 267.417 1.173 10 0 CDAERP c1ccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000261551328 370080236 /nfs/dbraw/zinc/08/02/36/370080236.db2.gz QJAFFTFJUBWGCH-UHFFFAOYSA-N 2 0 273.424 1.993 10 0 CDAERP CC(C)C[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371238925 370223020 /nfs/dbraw/zinc/22/30/20/370223020.db2.gz YESMUZQAAKVMJK-RDBSUJKOSA-N 2 0 267.417 1.350 10 0 CDAERP CC(C)C[C@H]([NH3+])C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000371238924 370223065 /nfs/dbraw/zinc/22/30/65/370223065.db2.gz YESMUZQAAKVMJK-MELADBBJSA-N 2 0 267.417 1.350 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000418248190 370316936 /nfs/dbraw/zinc/31/69/36/370316936.db2.gz VBVWBMVIEVIBAU-WOPDTQHZSA-N 2 0 258.410 1.142 10 0 CDAERP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCOCCOc1ccccc1 ZINC000565155774 370362875 /nfs/dbraw/zinc/36/28/75/370362875.db2.gz FXTAMLILOVJNBL-HUUCEWRRSA-N 2 0 278.396 1.894 10 0 CDAERP C[C@H](CNC1=[NH+]CCCN1)N(C)Cc1ccccc1 ZINC000262345986 370371693 /nfs/dbraw/zinc/37/16/93/370371693.db2.gz ZZJPXLHPNNDUTH-CYBMUJFWSA-N 2 0 260.385 1.446 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CCCC23CC[NH+](C)CC3)C1 ZINC000565190828 370379245 /nfs/dbraw/zinc/37/92/45/370379245.db2.gz LZEOVFZUHQJKNP-CQSZACIVSA-N 2 0 279.428 1.415 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000422711406 245168584 /nfs/dbraw/zinc/16/85/84/245168584.db2.gz GXVCRQDDKDZMMQ-LZWOXQAQSA-N 2 0 263.429 1.875 10 0 CDAERP [NH3+]CC[C@H]1CCCCN1C(=O)COC1CCC([NH3+])CC1 ZINC000567472551 371002315 /nfs/dbraw/zinc/00/23/15/371002315.db2.gz GSBPCCJWBGYKJB-ROKHWSDSSA-N 2 0 283.416 1.003 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](N[C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000422835784 245316226 /nfs/dbraw/zinc/31/62/26/245316226.db2.gz JAZZSPWNLCAIBI-XUWVNRHRSA-N 2 0 281.444 1.216 10 0 CDAERP CC[C@H](Cn1cncn1)[NH2+]C[C@@H]1N(C)CCCC1(C)C ZINC000340498027 371169159 /nfs/dbraw/zinc/16/91/59/371169159.db2.gz IWWWEUSAJIXQBQ-KGLIPLIRSA-N 2 0 279.432 1.767 10 0 CDAERP CO[C@H](C)c1noc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC000572961483 371361597 /nfs/dbraw/zinc/36/15/97/371361597.db2.gz BFUBGBAZEAINCG-UTUOFQBUSA-N 2 0 280.372 1.208 10 0 CDAERP Cc1ccc2c(c1C)OC[C@@H]2NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000575377209 371828765 /nfs/dbraw/zinc/82/87/65/371828765.db2.gz HZZWUNSZOLKSOQ-HOCLYGCPSA-N 2 0 290.407 1.782 10 0 CDAERP C[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)C1CC[NH+](C)CC1 ZINC000153824894 541862519 /nfs/dbraw/zinc/86/25/19/541862519.db2.gz HMMBEFXYELMMPA-CFVMTHIKSA-N 2 0 254.418 1.857 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000171891560 372208835 /nfs/dbraw/zinc/20/88/35/372208835.db2.gz SXEZTTNWZJRLAV-HUUCEWRRSA-N 2 0 294.443 1.208 10 0 CDAERP C[C@H](CC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)[C@@H]1CCC[NH2+]C1 ZINC000578172991 372332394 /nfs/dbraw/zinc/33/23/94/372332394.db2.gz VWXLHMRJBXKGGS-BFYDXBDKSA-N 2 0 293.455 1.614 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCOc1ccccc1C ZINC000422950747 245432196 /nfs/dbraw/zinc/43/21/96/245432196.db2.gz WSBYWSMYIKFZBM-AWEZNQCLSA-N 2 0 266.385 1.717 10 0 CDAERP O=C(C1CC[NH2+]CC1)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000361726605 372633479 /nfs/dbraw/zinc/63/34/79/372633479.db2.gz IZHONUFAXBTRJP-HNNXBMFYSA-N 2 0 279.428 1.463 10 0 CDAERP CC[N@H+](C)CCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000093491420 284339684 /nfs/dbraw/zinc/33/96/84/284339684.db2.gz DCVDBXDAZLFKFD-QLFBSQMISA-N 2 0 253.434 1.839 10 0 CDAERP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])CCO1 ZINC000423148956 245608292 /nfs/dbraw/zinc/60/82/92/245608292.db2.gz GZBNPTWCUNQBQH-LJIZCISZSA-N 2 0 284.444 1.780 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000581499255 373046378 /nfs/dbraw/zinc/04/63/78/373046378.db2.gz YUKDPZYHEMVXOU-MGPQQGTHSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)[NH2+]CCN1CCC(c2nnc3ccccn32)CC1 ZINC000191492151 373499917 /nfs/dbraw/zinc/49/99/17/373499917.db2.gz QKXCTDVGRGDJDX-UHFFFAOYSA-N 2 0 287.411 1.907 10 0 CDAERP CO[C@@H](C[N@H+](C)CCN(C)C1CC[NH+](C)CC1)C1CCC1 ZINC000660139344 412813107 /nfs/dbraw/zinc/81/31/07/412813107.db2.gz SVPUYURJISFVBD-KRWDZBQOSA-N 2 0 297.487 1.759 10 0 CDAERP C[C@]([NH3+])(C(=O)N1CCC[N@@H+](C2CC2)CC1)c1ccccc1 ZINC000192525607 373618479 /nfs/dbraw/zinc/61/84/79/373618479.db2.gz DXERJDDXTONITN-QGZVFWFLSA-N 2 0 287.407 1.557 10 0 CDAERP CC1([NH+]2CCCC2)CC[NH+](C[C@@]2(O)CCCOC2)CC1 ZINC000639984160 373897728 /nfs/dbraw/zinc/89/77/28/373897728.db2.gz QUZXUOMXGXJMQX-INIZCTEOSA-N 2 0 282.428 1.478 10 0 CDAERP CC1CC[NH+](Cc2cccc(CNC3=[NH+]CCN3)c2)CC1 ZINC000066245848 374180697 /nfs/dbraw/zinc/18/06/97/374180697.db2.gz BQANKTVHJGPCMW-UHFFFAOYSA-N 2 0 286.423 1.967 10 0 CDAERP C[C@H](CC[NH3+])NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000418516100 374400352 /nfs/dbraw/zinc/40/03/52/374400352.db2.gz CHFVYXPHUAGYLP-ZIAGYGMSSA-N 2 0 282.432 1.384 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000418462073 374387461 /nfs/dbraw/zinc/38/74/61/374387461.db2.gz AZUHGPDGLQBAMI-ZDUSSCGKSA-N 2 0 284.448 1.345 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000418720405 374534996 /nfs/dbraw/zinc/53/49/96/374534996.db2.gz JRMJVMGGOUOVLI-SGMGOOAPSA-N 2 0 282.432 1.095 10 0 CDAERP COc1cccc([C@H](C[NH2+][C@H]2CN(C)C[C@H]2C)N(C)C)c1 ZINC000342954284 374773265 /nfs/dbraw/zinc/77/32/65/374773265.db2.gz XGQFCLZWZFTAJY-COXVUDFISA-N 2 0 291.439 1.838 10 0 CDAERP C[C@H](C[NH2+]Cc1ccc(C(F)F)nc1)N1CC[NH+](C)CC1 ZINC000631065894 374872086 /nfs/dbraw/zinc/87/20/86/374872086.db2.gz VRUMINWHXMGPCS-GFCCVEGCSA-N 2 0 298.381 1.745 10 0 CDAERP C[NH+]1CCN(CCC[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000638849264 375086839 /nfs/dbraw/zinc/08/68/39/375086839.db2.gz ROWAQUIJLGPBAJ-OAGGEKHMSA-N 2 0 265.445 1.650 10 0 CDAERP C[N@H+]1C[C@@H]2C[NH+](C[C@@H](O)CCc3ccccc3)C[C@@H]2C1 ZINC000193652896 375889407 /nfs/dbraw/zinc/88/94/07/375889407.db2.gz ZQCIDSSTRMYZQC-BBWFWOEESA-N 2 0 274.408 1.474 10 0 CDAERP CCc1cc(N2C[C@H](C)[N@H+](CCO)C[C@H]2C)cc[nH+]1 ZINC000418993561 376075603 /nfs/dbraw/zinc/07/56/03/376075603.db2.gz HBJOAYACOBKVDA-QWHCGFSZSA-N 2 0 263.385 1.535 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000417389457 376315580 /nfs/dbraw/zinc/31/55/80/376315580.db2.gz KCEDJADCEVYKCT-AWEZNQCLSA-N 2 0 296.459 1.407 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000638976327 376325336 /nfs/dbraw/zinc/32/53/36/376325336.db2.gz WKWKSCAOWBDCLV-ZDUSSCGKSA-N 2 0 267.417 1.319 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C2CN(c3ccncn3)C2)[C@@H]2CCC[C@@H]21 ZINC000631748107 376540385 /nfs/dbraw/zinc/54/03/85/376540385.db2.gz XBXBEGTYOJRZBY-KKUMJFAQSA-N 2 0 287.411 1.128 10 0 CDAERP O=C1[C@@H]([N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CCN1C1CCC1 ZINC000631826185 376656313 /nfs/dbraw/zinc/65/63/13/376656313.db2.gz GXSRRRIMWLGRBG-GUTXKFCHSA-N 2 0 277.412 1.071 10 0 CDAERP Cc1cc(C[C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)[nH]n1 ZINC000246519638 376937024 /nfs/dbraw/zinc/93/70/24/376937024.db2.gz UOOFNIJGGGTIDS-NDPMZMCLSA-N 2 0 264.417 1.967 10 0 CDAERP O[C@H](CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C(F)(F)F ZINC000248388556 377237138 /nfs/dbraw/zinc/23/71/38/377237138.db2.gz FCXZAWLOZUWGNJ-CYZMBNFOSA-N 2 0 292.345 1.858 10 0 CDAERP CCCC[NH2+][C@H](C)CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001662255206 1172517299 /nfs/dbraw/zinc/51/72/99/1172517299.db2.gz GEJYNCLJTZVBHC-CQSZACIVSA-N 2 0 299.459 1.239 10 0 CDAERP C[C@H]1CC2(CCC2)C[N@@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000334820005 377651246 /nfs/dbraw/zinc/65/12/46/377651246.db2.gz XCLPLRXPNAVTEI-KBPBESRZSA-N 2 0 279.428 1.448 10 0 CDAERP C[C@@H](C(=O)NC(C)(C)C)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000334980845 377750033 /nfs/dbraw/zinc/75/00/33/377750033.db2.gz OIFMNRKAVGLKER-WFASDCNBSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091549029 377896677 /nfs/dbraw/zinc/89/66/77/377896677.db2.gz RWEWEVGLWGCGTG-STQMWFEESA-N 2 0 255.406 1.160 10 0 CDAERP C[C@@H](CCC[NH3+])NC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000417539654 377917274 /nfs/dbraw/zinc/91/72/74/377917274.db2.gz VXZBCXKMVBKRIU-MELADBBJSA-N 2 0 284.448 1.676 10 0 CDAERP C[C@H]([NH3+])CCC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000193299460 378287310 /nfs/dbraw/zinc/28/73/10/378287310.db2.gz KCUOVNFNUFBNLT-AWEZNQCLSA-N 2 0 269.433 1.742 10 0 CDAERP CCOCC[N@@H+]1CCN(C(=O)CC[C@@H](C)[NH3+])C[C@H]1CC ZINC000193312559 378289779 /nfs/dbraw/zinc/28/97/79/378289779.db2.gz MQNKOHQPJKSEGB-ZIAGYGMSSA-N 2 0 285.432 1.073 10 0 CDAERP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccc(F)nc1C ZINC000278530588 194029724 /nfs/dbraw/zinc/02/97/24/194029724.db2.gz RQFSRKSBGJVKJM-AWEZNQCLSA-N 2 0 283.391 1.976 10 0 CDAERP C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1ccccc1N1CCOCC1 ZINC000343838050 379015397 /nfs/dbraw/zinc/01/53/97/379015397.db2.gz GTQCIXJVLPJNLR-HOCLYGCPSA-N 2 0 289.423 1.563 10 0 CDAERP C[C@H]1C[C@H](C[N@H+](C)CCCN(C)CC[NH+](C)C)CCO1 ZINC000344036426 379066812 /nfs/dbraw/zinc/06/68/12/379066812.db2.gz SULAVDCRYKWEEJ-JKSUJKDBSA-N 2 0 285.476 1.617 10 0 CDAERP CCOCC[C@H](O)C[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000444660437 250161681 /nfs/dbraw/zinc/16/16/81/250161681.db2.gz GAGRHJPCACJZIA-ILXRZTDVSA-N 2 0 272.433 1.436 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CC[C@H](O)C(F)(F)F)CC[N@@H+]1C ZINC000639171671 379168628 /nfs/dbraw/zinc/16/86/28/379168628.db2.gz DDASDELZBDVCJQ-UTLUCORTSA-N 2 0 254.296 1.372 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C(C)(C)CCO ZINC000344218081 379327929 /nfs/dbraw/zinc/32/79/29/379327929.db2.gz JKNVPKYHEOSMKA-UHFFFAOYSA-N 2 0 274.368 1.826 10 0 CDAERP C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C[C@@H]1CC1(C)C ZINC000662346970 412913702 /nfs/dbraw/zinc/91/37/02/412913702.db2.gz GXBICXFIJHLCJL-ZDUSSCGKSA-N 2 0 293.455 1.707 10 0 CDAERP CC[NH+](CC)CC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113222205 379540675 /nfs/dbraw/zinc/54/06/75/379540675.db2.gz VFDQXEHPDBZAPA-STQMWFEESA-N 2 0 253.390 1.023 10 0 CDAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccccn3)cc2)C1 ZINC000657594681 412921525 /nfs/dbraw/zinc/92/15/25/412921525.db2.gz KHZSXRJTIMSQFR-GOSISDBHSA-N 2 0 297.402 1.938 10 0 CDAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000416821484 300003322 /nfs/dbraw/zinc/00/33/22/300003322.db2.gz LXGWJPWHZKUVKR-UONOGXRCSA-N 2 0 296.459 1.548 10 0 CDAERP C[C@@H](O)C[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)C1CC1 ZINC000655949626 412961112 /nfs/dbraw/zinc/96/11/12/412961112.db2.gz ZTHSPRVVWZOEFF-GFCCVEGCSA-N 2 0 260.381 1.678 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@@H]([NH3+])c2ccccc2)C1 ZINC000655962406 412966744 /nfs/dbraw/zinc/96/67/44/412966744.db2.gz BASWDQQJUFFFGO-VHDGCEQUSA-N 2 0 290.411 1.326 10 0 CDAERP COCCN1CCC[C@@H]1C[NH2+][C@@H](C)Cc1cnccn1 ZINC000453085230 252267516 /nfs/dbraw/zinc/26/75/16/252267516.db2.gz FXBBKDVBRCYWPW-DZGCQCFKSA-N 2 0 278.400 1.108 10 0 CDAERP C[C@H](CCO)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000453231078 252285544 /nfs/dbraw/zinc/28/55/44/252285544.db2.gz IJHKFOXZPMQTOW-GBJTYRQASA-N 2 0 254.418 1.857 10 0 CDAERP COCC[N@@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](C)[C@H]2CCC[C@@H]21 ZINC000353504202 285029171 /nfs/dbraw/zinc/02/91/71/285029171.db2.gz QUHLUAILXFYQAW-VQHPVUNQSA-N 2 0 295.471 1.560 10 0 CDAERP OC(C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)(C1CC1)C1CC1 ZINC000657699681 412985312 /nfs/dbraw/zinc/98/53/12/412985312.db2.gz NJGGKKQJKHTWCL-LSDHHAIUSA-N 2 0 264.413 1.754 10 0 CDAERP CCCN(C(=O)c1cc(C(C)(C)[NH3+])no1)[C@H]1CC[NH2+]C1 ZINC000662414430 412986358 /nfs/dbraw/zinc/98/63/58/412986358.db2.gz ZHDIIUOOYYKLMH-JTQLQIEISA-N 2 0 280.372 1.083 10 0 CDAERP CCCC[C@H](C[NH3+])NC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662431650 413011866 /nfs/dbraw/zinc/01/18/66/413011866.db2.gz LDBVZZALAVGKNS-GFCCVEGCSA-N 2 0 294.399 1.389 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000092676523 285234703 /nfs/dbraw/zinc/23/47/03/285234703.db2.gz IAVKJDPSMQCGTJ-ZNMIVQPWSA-N 2 0 281.444 1.837 10 0 CDAERP CCS(=O)(=O)C1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000657758339 413015504 /nfs/dbraw/zinc/01/55/04/413015504.db2.gz HFBIDACRJDVCJB-QWHCGFSZSA-N 2 0 286.441 1.170 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)CC[NH2+]1 ZINC000414690412 297399552 /nfs/dbraw/zinc/39/95/52/297399552.db2.gz HWVOXOMRUQUIOI-BRWVUGGUSA-N 2 0 295.471 1.561 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+][C@@H](C)CC2(OC)CCC2)CC1 ZINC000429520813 285316073 /nfs/dbraw/zinc/31/60/73/285316073.db2.gz YKYABHGLIGASGD-INIZCTEOSA-N 2 0 297.487 1.951 10 0 CDAERP [NH3+]C1CCC(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000062973000 413042959 /nfs/dbraw/zinc/04/29/59/413042959.db2.gz ZFFOCTJMULKZDB-RUXDESIVSA-N 2 0 265.401 1.201 10 0 CDAERP C[C@H]([NH3+])[C@H](C)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000398237619 390248440 /nfs/dbraw/zinc/24/84/40/390248440.db2.gz ZMSQCTQZELLSDN-HOSILWTGSA-N 2 0 261.413 1.975 10 0 CDAERP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1CCC1CC[NH2+]CC1 ZINC000251767852 390428948 /nfs/dbraw/zinc/42/89/48/390428948.db2.gz MFNKCCXVDQCQDG-HOCLYGCPSA-N 2 0 265.445 1.935 10 0 CDAERP CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000236946962 390510196 /nfs/dbraw/zinc/51/01/96/390510196.db2.gz FAZBWBCJAXIXAT-BXUZGUMPSA-N 2 0 267.417 1.350 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)[C@@]2(O)CCOC2)CC[N@@H+]1C ZINC000647340317 390943259 /nfs/dbraw/zinc/94/32/59/390943259.db2.gz HNHAQIHECASOHW-VNHYZAJKSA-N 2 0 270.417 1.236 10 0 CDAERP [NH3+]Cc1cc(C(=O)N[C@H]2CC[NH2+]C23CCCC3)co1 ZINC000648210300 390952933 /nfs/dbraw/zinc/95/29/33/390952933.db2.gz PCHKYHOMLAEFKD-LBPRGKRZSA-N 2 0 263.341 1.143 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)CC[NH2+]1 ZINC000647479481 390966698 /nfs/dbraw/zinc/96/66/98/390966698.db2.gz IYDWRYYZHJPAMH-LVQVYYBASA-N 3 0 265.445 1.839 10 0 CDAERP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000404909097 390966764 /nfs/dbraw/zinc/96/67/64/390966764.db2.gz AYVRQUQVGAIHMM-MELADBBJSA-N 2 0 267.417 1.317 10 0 CDAERP C[NH2+]C1CCN(Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000647495548 390970329 /nfs/dbraw/zinc/97/03/29/390970329.db2.gz GNWWTHPTSCFFTR-UHFFFAOYSA-N 2 0 291.439 1.811 10 0 CDAERP CC[N@@H+]1CC[C@H](NCc2cc(C(N)=O)co2)[C@H](C)C1 ZINC000187734408 390994248 /nfs/dbraw/zinc/99/42/48/390994248.db2.gz VMFDKLNVXJGOIG-MFKMUULPSA-N 2 0 265.357 1.198 10 0 CDAERP Fc1ccc(OCC[NH2+]C2CC[NH2+]CC2)c(F)c1 ZINC000415081648 391001888 /nfs/dbraw/zinc/00/18/88/391001888.db2.gz KPJRUCCPVGPDOU-UHFFFAOYSA-N 2 0 256.296 1.685 10 0 CDAERP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]CCc1cn2ccccc2n1 ZINC000415104319 391030607 /nfs/dbraw/zinc/03/06/07/391030607.db2.gz LBBPUOIPLCVBMK-UONOGXRCSA-N 2 0 272.396 1.997 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N(C)CC(C)(C)C[NH3+])CC1 ZINC000417744734 391010054 /nfs/dbraw/zinc/01/00/54/391010054.db2.gz FCDGROHXBYBMMU-UHFFFAOYSA-N 2 0 298.475 1.735 10 0 CDAERP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)[NH+](C)C ZINC000180182008 391215727 /nfs/dbraw/zinc/21/57/27/391215727.db2.gz ACORKRMMPCTGRR-OWCLPIDISA-N 2 0 289.423 1.888 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@H]2CCC[NH2+]C2)cc1 ZINC000418318158 391305631 /nfs/dbraw/zinc/30/56/31/391305631.db2.gz NNQRTOXLVVFECT-JSGCOSHPSA-N 2 0 290.411 1.505 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000417220535 391346313 /nfs/dbraw/zinc/34/63/13/391346313.db2.gz YOLUAVNFRQFJJS-RZLSGREXSA-N 2 0 296.459 1.628 10 0 CDAERP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000178747788 391360936 /nfs/dbraw/zinc/36/09/36/391360936.db2.gz WYHOCIDVUYMHQF-AAEUAGOBSA-N 2 0 253.390 1.057 10 0 CDAERP COCCC[NH+]1CCC([NH2+][C@@H]2CC[C@H]2SC)CC1 ZINC000425359582 391486875 /nfs/dbraw/zinc/48/68/75/391486875.db2.gz RXSCFPFEBQSSCW-ZIAGYGMSSA-N 2 0 272.458 1.971 10 0 CDAERP CN(C)c1cc[nH+]cc1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000647705944 391440068 /nfs/dbraw/zinc/44/00/68/391440068.db2.gz WQURZOTUVOLYRA-NSHDSACASA-N 2 0 262.357 1.020 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000417814010 391482737 /nfs/dbraw/zinc/48/27/37/391482737.db2.gz RJNHYZHHFIHASH-YUELXQCFSA-N 2 0 289.423 1.827 10 0 CDAERP CS[C@@H]1CC[C@@H]1[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000425353591 391483392 /nfs/dbraw/zinc/48/33/92/391483392.db2.gz ITSKWZGHRDJALG-SOUVJXGZSA-N 2 0 285.501 1.742 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CC[NH2+]C[C@H]2C)C1 ZINC000418584683 391520767 /nfs/dbraw/zinc/52/07/67/391520767.db2.gz CJWLXQCHSUWKGZ-RDBSUJKOSA-N 2 0 282.432 1.109 10 0 CDAERP FCC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCOCC1 ZINC000647798447 391660052 /nfs/dbraw/zinc/66/00/52/391660052.db2.gz QTGPHVAFQKQCPN-HZSPNIEDSA-N 2 0 270.392 1.730 10 0 CDAERP Cc1cnn(CC[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000341909245 130122828 /nfs/dbraw/zinc/12/28/28/130122828.db2.gz LOWPPKCEGIBQNK-HRCADAONSA-N 2 0 292.427 1.375 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371244060 391775257 /nfs/dbraw/zinc/77/52/57/391775257.db2.gz MHKORKBPSDBFOM-KGLIPLIRSA-N 2 0 267.417 1.317 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000417706898 391766992 /nfs/dbraw/zinc/76/69/92/391766992.db2.gz UOANGTJWDVURGA-MJBXVCDLSA-N 2 0 282.432 1.382 10 0 CDAERP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000648120019 391834890 /nfs/dbraw/zinc/83/48/90/391834890.db2.gz JZEWRQAFAUIEPN-NSHDSACASA-N 2 0 262.357 1.020 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+]1CC[C@H](C)C1 ZINC000525803902 391933686 /nfs/dbraw/zinc/93/36/86/391933686.db2.gz ZUFGINWQKSCNBY-UONOGXRCSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000334964570 391987556 /nfs/dbraw/zinc/98/75/56/391987556.db2.gz NTHGPPOOWGEXLY-ZFWWWQNUSA-N 2 0 294.443 1.254 10 0 CDAERP C[NH+]1CCC2(CC1)C[N@H+](CCC[C@H]1CCOC1)CCO2 ZINC000646106573 392016123 /nfs/dbraw/zinc/01/61/23/392016123.db2.gz BEHFHHSLOVAVBT-HNNXBMFYSA-N 2 0 282.428 1.600 10 0 CDAERP [NH3+]C1(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CCCC1 ZINC000649319010 392011034 /nfs/dbraw/zinc/01/10/34/392011034.db2.gz ADCJMGYRTRVYNL-UHFFFAOYSA-N 2 0 271.324 1.477 10 0 CDAERP CC1(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)C[NH2+]C1 ZINC000335064131 392087026 /nfs/dbraw/zinc/08/70/26/392087026.db2.gz WSBMREOHJRSRAE-KGLIPLIRSA-N 2 0 291.370 1.078 10 0 CDAERP C[C@@H](CNC(=O)C1(C[NH3+])CCOCC1)[N@@H+]1CCCC[C@@H]1C ZINC000262072681 392031371 /nfs/dbraw/zinc/03/13/71/392031371.db2.gz BTGDOOUUTFCJBT-KBPBESRZSA-N 2 0 297.443 1.121 10 0 CDAERP CCCCOC[C@H](O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000195178678 392053527 /nfs/dbraw/zinc/05/35/27/392053527.db2.gz VUHRUMVVKLTGPX-HUUCEWRRSA-N 2 0 272.433 1.438 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000649372953 392125034 /nfs/dbraw/zinc/12/50/34/392125034.db2.gz LHIAWFFNDGOBCS-MCIONIFRSA-N 2 0 279.428 1.650 10 0 CDAERP COCC[N@@H+]1CCC[C@@H]1CN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000422712780 392251779 /nfs/dbraw/zinc/25/17/79/392251779.db2.gz ORMPNXUSPRSVFI-YESZJQIVSA-N 2 0 297.487 1.998 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000423074418 392318274 /nfs/dbraw/zinc/31/82/74/392318274.db2.gz LRMYXQRHWSSOFA-HNNXBMFYSA-N 2 0 277.412 1.804 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCC1CCC(OC)CC1 ZINC000423042489 392295711 /nfs/dbraw/zinc/29/57/11/392295711.db2.gz ZMEMKIUGSPXBDA-SLTAFYQDSA-N 2 0 272.433 1.925 10 0 CDAERP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3C[C@@H]3C)cn2)CC1 ZINC000488449993 392362873 /nfs/dbraw/zinc/36/28/73/392362873.db2.gz BRZANZHGXJSZJQ-HOCLYGCPSA-N 2 0 288.439 1.969 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000629528483 392385323 /nfs/dbraw/zinc/38/53/23/392385323.db2.gz AEOLYKDJEWULBN-AWEZNQCLSA-N 2 0 282.359 1.865 10 0 CDAERP CCCC[C@@H](CC)C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000568218792 392416545 /nfs/dbraw/zinc/41/65/45/392416545.db2.gz BLIMCKXUDDUUSO-HZPDHXFCSA-N 2 0 285.476 1.401 10 0 CDAERP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C[C@H]1CC[NH2+]C1 ZINC000646427791 392437132 /nfs/dbraw/zinc/43/71/32/392437132.db2.gz QXQSVVJHTNAEDZ-QWHCGFSZSA-N 2 0 267.417 1.175 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCCC12CCOCC2 ZINC000423381884 392520547 /nfs/dbraw/zinc/52/05/47/392520547.db2.gz DATIOQMEWMVJKF-HZSPNIEDSA-N 2 0 252.402 1.923 10 0 CDAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)CC[NH2+]C1CC1 ZINC000573934485 392471406 /nfs/dbraw/zinc/47/14/06/392471406.db2.gz YACLQMFNLVHJER-INIZCTEOSA-N 2 0 289.423 1.418 10 0 CDAERP O=C([C@@H]1CCCCC[NH2+]1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000574260876 392554097 /nfs/dbraw/zinc/55/40/97/392554097.db2.gz CIXFULVYCCQDAJ-ZFWWWQNUSA-N 2 0 265.401 1.121 10 0 CDAERP CC(C)C[NH+]1CCC(NC(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000659431617 413053599 /nfs/dbraw/zinc/05/35/99/413053599.db2.gz NBPTZXWPDJFMKG-OAHLLOKOSA-N 2 0 298.475 1.779 10 0 CDAERP CC(C)[NH+]1CCC([NH2+][C@@H]2CCC(=O)N[C@@H]2C)CC1 ZINC000336448102 392627112 /nfs/dbraw/zinc/62/71/12/392627112.db2.gz IVYFXSQDDZDDFC-DGCLKSJQSA-N 2 0 253.390 1.116 10 0 CDAERP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000646777239 392754138 /nfs/dbraw/zinc/75/41/38/392754138.db2.gz NPXFWUZHBOMPDM-HUUCEWRRSA-N 2 0 275.396 1.605 10 0 CDAERP C[C@@H]1CN(C)C[C@H]1[NH2+]CC(C)(C)C1(O)CCCC1 ZINC000449735272 392889861 /nfs/dbraw/zinc/88/98/61/392889861.db2.gz GVVNJJUAZNBLOT-CHWSQXEVSA-N 2 0 254.418 1.857 10 0 CDAERP CC(C)C[C@H]([NH2+][C@@H]1C[C@@H](C)[C@@H]1C)C(=O)NCC[NH+](C)C ZINC000494803874 393108153 /nfs/dbraw/zinc/10/81/53/393108153.db2.gz JJWBWNKRTBEPHO-BARDWOONSA-N 2 0 283.460 1.713 10 0 CDAERP CC[NH+](CC)[C@H](CNC(=O)COC1(C)C[NH2+]C1)CC(C)C ZINC000649285386 393320495 /nfs/dbraw/zinc/32/04/95/393320495.db2.gz VHYVEJIBWLTJDE-AWEZNQCLSA-N 2 0 299.459 1.238 10 0 CDAERP CCc1nccn1[C@@H](C)CC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000648784777 393345293 /nfs/dbraw/zinc/34/52/93/393345293.db2.gz DIHYILYLJPQYAJ-KBPBESRZSA-N 2 0 292.427 1.807 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@@H](O)Cc2ccc(F)cc2)C1 ZINC000656152978 413061745 /nfs/dbraw/zinc/06/17/45/413061745.db2.gz DYOWLOBRETWKPS-IMJJTQAJSA-N 2 0 280.387 1.659 10 0 CDAERP Cc1nc2ccccc2n1CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195333972 140154091 /nfs/dbraw/zinc/15/40/91/140154091.db2.gz LMDYAZXRNGVNPP-CQSZACIVSA-N 2 0 298.390 1.651 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000261572279 140352135 /nfs/dbraw/zinc/35/21/35/140352135.db2.gz SOIKINSOKOHOAY-UONOGXRCSA-N 2 0 269.433 1.742 10 0 CDAERP C[C@]1(C[NH+]2CCC(OCC3CC3)CC2)CC[NH2+]C1 ZINC000261732918 140382479 /nfs/dbraw/zinc/38/24/79/140382479.db2.gz HJJSQYNTRJFYSM-HNNXBMFYSA-N 2 0 252.402 1.877 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000261819729 140394035 /nfs/dbraw/zinc/39/40/35/140394035.db2.gz HUZVYAJPZVGROK-UONOGXRCSA-N 2 0 267.417 1.367 10 0 CDAERP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000261833675 140396988 /nfs/dbraw/zinc/39/69/88/140396988.db2.gz JGIWXAGUCNYYKA-ZYHUDNBSSA-N 2 0 291.420 1.769 10 0 CDAERP CC(C)C[C@H]([NH3+])C[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC000656193761 413087811 /nfs/dbraw/zinc/08/78/11/413087811.db2.gz RNDKBYGEDITQDY-ZDUSSCGKSA-N 2 0 283.460 1.987 10 0 CDAERP C[C@@H]1CN(C(=O)C[C@@H]2[NH2+]Cc3ccccc32)C[C@@]1(C)C[NH3+] ZINC000662575177 413142931 /nfs/dbraw/zinc/14/29/31/413142931.db2.gz SCANFALYARIMOS-ISTRZQFTSA-N 2 0 287.407 1.664 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)CC[NH2+]1 ZINC000662595789 413166889 /nfs/dbraw/zinc/16/68/89/413166889.db2.gz XEFBIFFPMJQTPX-BPUTZDHNSA-N 2 0 293.455 1.613 10 0 CDAERP C[NH+](C)C[C@@H](NC(=O)C1CCC([NH3+])CC1)c1ccccc1 ZINC000040809283 397901113 /nfs/dbraw/zinc/90/11/13/397901113.db2.gz GQWUIMNPDQBDSR-UYSNPLJNSA-N 2 0 289.423 1.923 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)C2CCC([NH3+])CC2)CC1 ZINC000038100742 398125724 /nfs/dbraw/zinc/12/57/24/398125724.db2.gz BWHPBSBFJGRTDQ-UHFFFAOYSA-N 2 0 281.444 1.837 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]CC[C@H](COC)OC)[C@H](C)C1 ZINC000658085395 413186181 /nfs/dbraw/zinc/18/61/81/413186181.db2.gz WGSAIYJZHQVKRF-MCIONIFRSA-N 2 0 258.406 1.358 10 0 CDAERP CC[C@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1ccn(C)n1 ZINC000658105856 413204461 /nfs/dbraw/zinc/20/44/61/413204461.db2.gz FEGGNGVRFHDPKO-GJZGRUSLSA-N 2 0 295.475 1.733 10 0 CDAERP C[C@H](CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)C[NH+]1CCCC1 ZINC000654388822 413216236 /nfs/dbraw/zinc/21/62/36/413216236.db2.gz UNTMQWBFTOYVOJ-KFWWJZLASA-N 2 0 296.459 1.358 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)C[C@@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC000178816020 148091604 /nfs/dbraw/zinc/09/16/04/148091604.db2.gz FDTJQVVYLAXUDD-FRRDWIJNSA-N 2 0 253.390 1.070 10 0 CDAERP Cc1ncccc1C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000179517540 148117591 /nfs/dbraw/zinc/11/75/91/148117591.db2.gz MUAJUKBILRDBBN-CQSZACIVSA-N 2 0 291.439 1.915 10 0 CDAERP CC[C@H]1CCCC[N@@H+]1CCNC(=O)CC[C@@H](C)[NH3+] ZINC000193316394 148621384 /nfs/dbraw/zinc/62/13/84/148621384.db2.gz FKUHLDCGDUKPEK-OLZOCXBDSA-N 2 0 255.406 1.495 10 0 CDAERP O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262423046 149062815 /nfs/dbraw/zinc/06/28/15/149062815.db2.gz GAGSARMQBBMTJU-WRQLNJJISA-N 2 0 277.412 1.306 10 0 CDAERP C[C@H](NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)C(C)(C)C[NH+](C)C ZINC000262666741 149092619 /nfs/dbraw/zinc/09/26/19/149092619.db2.gz KRKPEUHGZMTTRA-YJNKXOJESA-N 2 0 295.471 2.000 10 0 CDAERP Cc1cnn(CC[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c1 ZINC000404281033 413236937 /nfs/dbraw/zinc/23/69/37/413236937.db2.gz DYTPOPTYHOHOGV-ZIAGYGMSSA-N 2 0 250.390 1.641 10 0 CDAERP C[C@H](C(=O)N1CC[NH+]2CCC1CC2)[C@H]([NH3+])c1ccccc1 ZINC000335037359 150213488 /nfs/dbraw/zinc/21/34/88/150213488.db2.gz ISLYXDFDMHYYJL-BBRMVZONSA-N 2 0 287.407 1.629 10 0 CDAERP CC1=CC[N@H+](CCNC(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000335186899 150385548 /nfs/dbraw/zinc/38/55/48/150385548.db2.gz YQOFKPLPYICVAC-KGLIPLIRSA-N 2 0 280.416 1.030 10 0 CDAERP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)C[NH+]1CCCC1 ZINC000347030180 153385551 /nfs/dbraw/zinc/38/55/51/153385551.db2.gz BCOGZXIOQKUALB-AWEZNQCLSA-N 2 0 281.444 1.566 10 0 CDAERP Cc1ccc([C@H](CNC(=O)CC2([NH3+])CC2)[NH+](C)C)cc1 ZINC000662689074 413317707 /nfs/dbraw/zinc/31/77/07/413317707.db2.gz DLJNNDWRDKJIBY-AWEZNQCLSA-N 2 0 275.396 1.595 10 0 CDAERP CCN(C(=O)N[C@@H]1C[C@H](C)[NH+](C2CC2)C1)[C@H]1CC[N@H+](C)C1 ZINC000664366697 413318077 /nfs/dbraw/zinc/31/80/77/413318077.db2.gz BIFQUOQTCYMFDG-GUTXKFCHSA-N 2 0 294.443 1.347 10 0 CDAERP [NH3+][C@H](Cc1cn([C@H]2CC[NH2+]C2)nn1)c1ccccc1 ZINC000656467375 413321485 /nfs/dbraw/zinc/32/14/85/413321485.db2.gz QBNPUOMCIXCAKA-UONOGXRCSA-N 2 0 257.341 1.055 10 0 CDAERP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)[C@@H](n2cncn2)C1 ZINC000333239253 296736658 /nfs/dbraw/zinc/73/66/58/296736658.db2.gz DMWVIXAQZSVNHZ-ZSAUSMIDSA-N 2 0 277.416 1.867 10 0 CDAERP C[C@H](C(=O)NC(C)(C)C)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000335697971 298127216 /nfs/dbraw/zinc/12/72/16/298127216.db2.gz PEXXNVIDKSUXLJ-GFCCVEGCSA-N 2 0 267.417 1.365 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000362520659 159167694 /nfs/dbraw/zinc/16/76/94/159167694.db2.gz GVVGFSINUPVKSL-LSDHHAIUSA-N 2 0 281.444 1.804 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)CC1CC[NH+](C)CC1 ZINC000362770350 159234856 /nfs/dbraw/zinc/23/48/56/159234856.db2.gz RPVQNDNPAZXGEX-GFCCVEGCSA-N 2 0 255.406 1.175 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000662730590 413396048 /nfs/dbraw/zinc/39/60/48/413396048.db2.gz KNRCPEYKSMCXEJ-BZPMIXESSA-N 2 0 255.406 1.384 10 0 CDAERP Cc1nccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)n1 ZINC000373646816 160218007 /nfs/dbraw/zinc/21/80/07/160218007.db2.gz YKSUPFUPIVDKGH-UHFFFAOYSA-N 2 0 290.411 1.329 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000417337760 286921179 /nfs/dbraw/zinc/92/11/79/286921179.db2.gz XPSIUTJPRCQKGM-OLZOCXBDSA-N 2 0 296.459 1.676 10 0 CDAERP CC/C=C\CC[NH+]1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001665350051 1172984006 /nfs/dbraw/zinc/98/40/06/1172984006.db2.gz FYSOAOHTZFZWFK-ARJAWSKDSA-N 2 0 291.439 1.487 10 0 CDAERP CCc1ccc([C@H](C[NH3+])N2CCC[N@H+](C)CC2)cc1 ZINC000020217675 171079683 /nfs/dbraw/zinc/07/96/83/171079683.db2.gz JWXNRYMVXLEGHQ-INIZCTEOSA-N 2 0 261.413 1.886 10 0 CDAERP C[C@H](C(=O)N1CC[NH2+]CC1)[NH+]1CCCCCCC1 ZINC000020265944 171122561 /nfs/dbraw/zinc/12/25/61/171122561.db2.gz YXDWIULWNMVVGA-CYBMUJFWSA-N 2 0 253.390 1.073 10 0 CDAERP C(C[NH2+][C@H]1CN2CCC1CC2)C[NH+]1CCCCC1 ZINC000020441455 171205221 /nfs/dbraw/zinc/20/52/21/171205221.db2.gz VXGMDVOVUUBQDB-HNNXBMFYSA-N 2 0 251.418 1.546 10 0 CDAERP C[C@@H](CC(=O)NCCC1(C[NH3+])CC1)[C@@H]1CCC[NH2+]C1 ZINC000653216222 412144039 /nfs/dbraw/zinc/14/40/39/412144039.db2.gz STJOSUIOAOEZBC-QWHCGFSZSA-N 2 0 267.417 1.257 10 0 CDAERP [NH3+]CC1(CCNC(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000653221495 412147998 /nfs/dbraw/zinc/14/79/98/412147998.db2.gz ZFXZBQDYZYXZPO-CYBMUJFWSA-N 2 0 261.369 1.322 10 0 CDAERP O[C@H](C[NH2+]CCc1noc2ccccc21)C[NH+]1CCCC1 ZINC000656701966 413554065 /nfs/dbraw/zinc/55/40/65/413554065.db2.gz HHGLOMAPECZLLD-CYBMUJFWSA-N 2 0 289.379 1.417 10 0 CDAERP CN(C)c1cc[nH+]cc1C(=O)NCC1([NH3+])CCCC1 ZINC000662863528 413624729 /nfs/dbraw/zinc/62/47/29/413624729.db2.gz SEISYRNQPIWILU-UHFFFAOYSA-N 2 0 262.357 1.149 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)c1ccc(C[NH3+])cc1 ZINC000664721878 413617103 /nfs/dbraw/zinc/61/71/03/413617103.db2.gz VMJWWKTWXMZFEM-UHFFFAOYSA-N 2 0 277.412 1.996 10 0 CDAERP CC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000312754589 413693689 /nfs/dbraw/zinc/69/36/89/413693689.db2.gz MYXFJORPXZMLJF-CAOSSQGBSA-N 2 0 284.444 1.315 10 0 CDAERP CC(=O)NCc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000665234315 413959571 /nfs/dbraw/zinc/95/95/71/413959571.db2.gz AUGQQBCWRJSJSY-HZPDHXFCSA-N 2 0 275.396 1.682 10 0 CDAERP CO[C@H](C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+])[C@@H]1CCOC1 ZINC000665235116 413962028 /nfs/dbraw/zinc/96/20/28/413962028.db2.gz QBRKHEBOARVGMS-MWQQHZPXSA-N 2 0 292.423 1.586 10 0 CDAERP COC[C@H]([NH2+]C1CCC(C[NH3+])CC1)C1CCOCC1 ZINC000665236591 413969510 /nfs/dbraw/zinc/96/95/10/413969510.db2.gz QETKOSZKORGSQC-ZALBZXLWSA-N 2 0 270.417 1.535 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)[C@@H]2CCCO2)CC1 ZINC000665287191 414024667 /nfs/dbraw/zinc/02/46/67/414024667.db2.gz DUXZLTKNIZWSIC-HIFRSBDPSA-N 2 0 297.443 1.134 10 0 CDAERP CC[NH+]1CCN([C@H](C[NH3+])c2cc(F)ccc2F)CC1 ZINC000037233521 173052642 /nfs/dbraw/zinc/05/26/42/173052642.db2.gz KYEZXYDDWJBWBU-CQSZACIVSA-N 2 0 269.339 1.602 10 0 CDAERP CC[NH+](CC)CCC[C@@H](C)[NH2+]CCS(=O)(=O)CC ZINC000037370864 173159961 /nfs/dbraw/zinc/15/99/61/173159961.db2.gz RVCQMXXZKPJAID-CYBMUJFWSA-N 2 0 278.462 1.521 10 0 CDAERP CN(C[C@H]1CCC[N@@H+]1C)C(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000661410091 414067544 /nfs/dbraw/zinc/06/75/44/414067544.db2.gz QMMWAPBBZIVFKZ-UONOGXRCSA-N 2 0 296.459 1.595 10 0 CDAERP C[C@@H]1C[N@@H+](CCC[NH+]2CCCCC2)C[C@H](C)[C@H]1O ZINC000661627338 414228841 /nfs/dbraw/zinc/22/88/41/414228841.db2.gz QHGDTXZQPLKODB-FICVDOATSA-N 2 0 254.418 1.811 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H](c2ncc[nH]2)c2cccnc2)C1 ZINC000655803631 414195151 /nfs/dbraw/zinc/19/51/51/414195151.db2.gz AIZCXIHJAVLWKP-CFVMTHIKSA-N 2 0 285.395 1.824 10 0 CDAERP Cn1ncc(C2CCC2)c1C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000657370287 414248849 /nfs/dbraw/zinc/24/88/49/414248849.db2.gz BIOYDTUWYJSQNC-UHFFFAOYSA-N 2 0 292.427 1.234 10 0 CDAERP C[C@H]([NH3+])C1CCN(Cc2nc3c(s2)C[NH2+]CC3)CC1 ZINC000663494944 414292976 /nfs/dbraw/zinc/29/29/76/414292976.db2.gz LTJAXOIERHCSRH-JTQLQIEISA-N 2 0 280.441 1.348 10 0 CDAERP COC[C@@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)OC ZINC000659957453 414300712 /nfs/dbraw/zinc/30/07/12/414300712.db2.gz SIIBRDGLBRCZJZ-LSDHHAIUSA-N 2 0 270.417 1.456 10 0 CDAERP CC[C@H]1C[C@H]([NH2+]Cc2ccnc(OCC[NH+](C)C)c2)CO1 ZINC000657420147 414307780 /nfs/dbraw/zinc/30/77/80/414307780.db2.gz AYRXYNROIKGCPR-GJZGRUSLSA-N 2 0 293.411 1.679 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CC[C@H](C)C2)CC1 ZINC000663507148 414309864 /nfs/dbraw/zinc/30/98/64/414309864.db2.gz YVAFMSUWPURDQH-DZGCQCFKSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H](O)C[C@H](C)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657431973 414317796 /nfs/dbraw/zinc/31/77/96/414317796.db2.gz LUESXRCPDUVLBV-NWDGAFQWSA-N 2 0 260.341 1.516 10 0 CDAERP CC(C)[N@H+](C)C[C@@H](O)CN1CCC[C@]2(CCCOC2)C1 ZINC000659981061 414321382 /nfs/dbraw/zinc/32/13/82/414321382.db2.gz FVQXJAAQGSTEJI-CVEARBPZSA-N 2 0 284.444 1.580 10 0 CDAERP CC[N@H+](C)C[C@H]1CC[NH+](CC2(O)CCSCC2)C1 ZINC000659989026 414329142 /nfs/dbraw/zinc/32/91/42/414329142.db2.gz AGMKIRQWYLWFBE-CYBMUJFWSA-N 2 0 272.458 1.518 10 0 CDAERP FC(F)(F)CN1CC[C@H](C[NH2+]C2CC[NH2+]CC2)C1 ZINC000038041456 174042162 /nfs/dbraw/zinc/04/21/62/174042162.db2.gz BMUFUYQJIDJRSY-SNVBAGLBSA-N 2 0 265.323 1.212 10 0 CDAERP CC(C)=CC[NH+]1CCC(NC[C@H](C)[NH+](C)C)CC1 ZINC000038087361 174099175 /nfs/dbraw/zinc/09/91/75/174099175.db2.gz ZWVRHUHSPRLFCZ-AWEZNQCLSA-N 2 0 253.434 1.957 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)[C@](C)([NH3+])C2CC2)CC1 ZINC000038105435 174120076 /nfs/dbraw/zinc/12/00/76/174120076.db2.gz UPGFDBGPYSGNQB-OAHLLOKOSA-N 2 0 267.417 1.447 10 0 CDAERP Cc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)N2CC[NH2+]CC2)cc1 ZINC000040508048 174302709 /nfs/dbraw/zinc/30/27/09/174302709.db2.gz GTGBHTMEUCCRNW-MRXNPFEDSA-N 2 0 287.407 1.391 10 0 CDAERP Cc1cc(C)c(C(N)=[NH2+])c(OCC[NH+]2CCCCC2)n1 ZINC000040515285 174306626 /nfs/dbraw/zinc/30/66/26/174306626.db2.gz HLUSVSUSOBSDCL-UHFFFAOYSA-N 2 0 276.384 1.847 10 0 CDAERP C[C@@H]1CCC[C@H](C(=O)N2CCC([NH+]3CCCCC3)CC2)[NH2+]1 ZINC000040694369 174377870 /nfs/dbraw/zinc/37/78/70/174377870.db2.gz PVDVLPIMVZRUSO-GDBMZVCRSA-N 2 0 293.455 1.994 10 0 CDAERP [NH3+][C@H]1CCOC[C@@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000040693982 174377909 /nfs/dbraw/zinc/37/79/09/174377909.db2.gz LJKRFNVZHXBREX-GJZGRUSLSA-N 2 0 267.417 1.053 10 0 CDAERP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC[NH+]1CCCCCC1 ZINC000040768264 174398672 /nfs/dbraw/zinc/39/86/72/174398672.db2.gz AHPJPJXNWVUHKB-CHWSQXEVSA-N 2 0 255.406 1.352 10 0 CDAERP CCC[NH+]1CCC(NC(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000040829680 174412159 /nfs/dbraw/zinc/41/21/59/174412159.db2.gz QNYKFFIBPQOACU-UHFFFAOYSA-N 2 0 275.396 1.750 10 0 CDAERP CC(C)[NH2+]CCC(=O)NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000040831185 174412627 /nfs/dbraw/zinc/41/26/27/174412627.db2.gz KOMVWARXHGDDRN-CQSZACIVSA-N 2 0 269.433 1.611 10 0 CDAERP CCC[NH+]1CCN([C@@H](c2ccccn2)[C@@H]([NH3+])CC)CC1 ZINC000043338836 175013210 /nfs/dbraw/zinc/01/32/10/175013210.db2.gz FBFSOXGEHGRCBR-GOEBONIOSA-N 2 0 276.428 1.888 10 0 CDAERP CC[C@H]([NH3+])[C@H](c1ccccn1)N1CC[NH+](CC2CC2)CC1 ZINC000043340193 175014599 /nfs/dbraw/zinc/01/45/99/175014599.db2.gz PBJKYBGXDCVKKN-DOTOQJQBSA-N 2 0 288.439 1.888 10 0 CDAERP Cc1cc(C)cc([C@@H](C[NH3+])N2CCC[N@@H+](C)CC2)c1 ZINC000043393943 175034893 /nfs/dbraw/zinc/03/48/93/175034893.db2.gz OFKLGUHLRLWWPQ-MRXNPFEDSA-N 2 0 261.413 1.941 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]CCCC(=O)N(C)C ZINC000043448224 175049061 /nfs/dbraw/zinc/04/90/61/175049061.db2.gz WHKLFOANQBBWQW-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP CC[C@@H](CC[NH3+])[NH+]1CCN(CCOc2ccccc2)CC1 ZINC000043458046 175050315 /nfs/dbraw/zinc/05/03/15/175050315.db2.gz KSFYXPFIKHEMCD-INIZCTEOSA-N 2 0 291.439 1.810 10 0 CDAERP CC[C@@H](C(N)=[NH2+])N1CCC([NH+]2CCCCC2)CC1 ZINC000043541151 175063865 /nfs/dbraw/zinc/06/38/65/175063865.db2.gz LFRKBRQXIAKIAQ-ZDUSSCGKSA-N 2 0 252.406 1.651 10 0 CDAERP CN1CCC([N@H+](C)CCC[C@H]2CCC[NH2+]C2)CC1 ZINC000043591777 175073685 /nfs/dbraw/zinc/07/36/85/175073685.db2.gz AOLMSNTZZKTGML-CQSZACIVSA-N 2 0 253.434 1.792 10 0 CDAERP C[NH2+][C@@H](CN(C)C1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000043815213 175111867 /nfs/dbraw/zinc/11/18/67/175111867.db2.gz GFCDEJOCNSKHMR-KRWDZBQOSA-N 2 0 291.439 1.982 10 0 CDAERP C[NH2+][C@H]1c2ccccc2C[C@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815218 175111955 /nfs/dbraw/zinc/11/19/55/175111955.db2.gz KZJHOBLVJXYHDV-SJORKVTESA-N 2 0 273.424 1.898 10 0 CDAERP C[NH2+][C@@H]1c2ccccc2C[C@H]1N1CC[NH+](C(C)C)CC1 ZINC000043896937 175120006 /nfs/dbraw/zinc/12/00/06/175120006.db2.gz PDAJAWALFJSQKD-IAGOWNOFSA-N 2 0 273.424 1.898 10 0 CDAERP CC[NH2+][C@H]1CCC[C@@H]1N1CCC(C[NH+](C)C)CC1 ZINC000043970693 175131916 /nfs/dbraw/zinc/13/19/16/175131916.db2.gz QNJGLIJFYRVWIE-GJZGRUSLSA-N 2 0 253.434 1.791 10 0 CDAERP CCC[NH+]1CCN([C@@H](c2cnn(C)c2)[C@@H]([NH3+])CC)CC1 ZINC000044418519 175173391 /nfs/dbraw/zinc/17/33/91/175173391.db2.gz URZZOJBAGRHIFM-GJZGRUSLSA-N 2 0 279.432 1.226 10 0 CDAERP CCOC(=O)C[C@H](C)[NH2+]CC1CC[NH+](CC)CC1 ZINC000044518504 175191085 /nfs/dbraw/zinc/19/10/85/175191085.db2.gz NFXZZCZKYMJPJX-LBPRGKRZSA-N 2 0 256.390 1.650 10 0 CDAERP CC[NH+]1CCC(C[N@@H+]2CC[C@@H]([NH2+]C)C[C@@H]2C)CC1 ZINC000044518855 175191461 /nfs/dbraw/zinc/19/14/61/175191461.db2.gz DNZVVKODMWKLCE-DZGCQCFKSA-N 3 0 253.434 1.791 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000044526728 175191828 /nfs/dbraw/zinc/19/18/28/175191828.db2.gz DIYNTUDMVBYWJK-OWCLPIDISA-N 2 0 293.455 1.755 10 0 CDAERP CC[NH+]1CCC(C[NH+]2C[C@@H](C)C[NH2+]C[C@H](C)C2)CC1 ZINC000044526853 175192046 /nfs/dbraw/zinc/19/20/46/175192046.db2.gz PFDJFKWUAMOQLO-GJZGRUSLSA-N 3 0 267.461 1.896 10 0 CDAERP C[NH+]1CCC(NC(=O)C2(C[NH3+])CCCCC2)CC1 ZINC000044762594 175246806 /nfs/dbraw/zinc/24/68/06/175246806.db2.gz MQHUNGVKXGDBME-UHFFFAOYSA-N 2 0 253.390 1.106 10 0 CDAERP C[C@@H](CNC(=O)C1(C[NH3+])CCCCC1)[NH+]1CCCCC1 ZINC000044995367 175287233 /nfs/dbraw/zinc/28/72/33/175287233.db2.gz UFCAZCIPWWCPNS-AWEZNQCLSA-N 2 0 281.444 1.886 10 0 CDAERP CC(C)[NH2+]C[C@@H](O)C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045072121 175301656 /nfs/dbraw/zinc/30/16/56/175301656.db2.gz CKTOWBZWSFUDPF-HUUCEWRRSA-N 2 0 254.418 2.000 10 0 CDAERP C[NH+](C)CC1CC[NH+](CC[C@](C)([NH2+]C2CC2)C(=O)[O-])CC1 ZINC000045277087 175347469 /nfs/dbraw/zinc/34/74/69/175347469.db2.gz AJZZJDSGFZAHHC-INIZCTEOSA-N 2 0 297.443 1.245 10 0 CDAERP C[NH2+][C@@](C)(CCC[NH+]1C[C@H](C)C[C@@H](C)C1)C(N)=O ZINC000045373558 175364941 /nfs/dbraw/zinc/36/49/41/175364941.db2.gz ZQAYWLPGUOPZHT-BZPMIXESSA-N 2 0 255.406 1.208 10 0 CDAERP C[N@H+](CCC[C@](C)([NH2+]C1CC1)C(N)=O)C1CCCC1 ZINC000045384962 175372005 /nfs/dbraw/zinc/37/20/05/175372005.db2.gz RXQUWSNOKMBVJK-HNNXBMFYSA-N 2 0 267.417 1.637 10 0 CDAERP CC(C)[NH2+][C@@](C)(CCCC[N@@H+]1CCOC(C)(C)C1)C(N)=O ZINC000045418699 175377128 /nfs/dbraw/zinc/37/71/28/175377128.db2.gz JVTNCCPUQVFZLY-INIZCTEOSA-N 2 0 299.459 1.510 10 0 CDAERP C[C@H]1C[C@](C[NH3+])(N2CC[C@H]([NH+]3CCCCC3)C2)CCO1 ZINC000070366343 175895557 /nfs/dbraw/zinc/89/55/57/175895557.db2.gz MHAZGHASHDHMAB-HRCADAONSA-N 2 0 281.444 1.443 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)N1CCC[C@@H]([NH2+]C2CC2)C1=O ZINC000071037398 176026144 /nfs/dbraw/zinc/02/61/44/176026144.db2.gz BQBRNRMIMLXXQE-UKRRQHHQSA-N 2 0 279.428 1.604 10 0 CDAERP CN(CC(=O)Nc1ccc(F)cc1N)C[C@@H]1CC[N@H+](C)C1 ZINC000071187667 176060515 /nfs/dbraw/zinc/06/05/15/176060515.db2.gz GLXMMIVAQCFBPO-LLVKDONJSA-N 2 0 294.374 1.230 10 0 CDAERP C[C@@H]([NH3+])[C@@H](c1ccccn1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071187989 176061604 /nfs/dbraw/zinc/06/16/04/176061604.db2.gz IZRYGWCLSTUZIP-NFAWXSAZSA-N 2 0 262.401 1.353 10 0 CDAERP Cc1ccc([C@H]([NH3+])CN(C)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000071188736 176063778 /nfs/dbraw/zinc/06/37/78/176063778.db2.gz NYAPADOJMXLRQZ-GDBMZVCRSA-N 2 0 261.413 1.878 10 0 CDAERP C[NH2+][C@H]1c2ccccc2OC[C@@H]1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188881 176064060 /nfs/dbraw/zinc/06/40/60/176064060.db2.gz OSDGSSNRRLKEQJ-KMFMINBZSA-N 2 0 289.423 1.592 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C1(C[NH3+])CCCCCC1 ZINC000071189087 176064884 /nfs/dbraw/zinc/06/48/84/176064884.db2.gz URNIMGKMEUUHJQ-CQSZACIVSA-N 2 0 281.444 1.696 10 0 CDAERP CC[NH2+]Cc1c(C)nn(C)c1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071190047 176065599 /nfs/dbraw/zinc/06/55/99/176065599.db2.gz RSCUHDCZKYGVCV-CYBMUJFWSA-N 2 0 279.432 1.226 10 0 CDAERP C[N@H+](C[C@H]1CC[NH+](C)C1)[C@@H]1CCCCCC[C@@H]1O ZINC000071190683 176068836 /nfs/dbraw/zinc/06/88/36/176068836.db2.gz YKFRDTANCGVTLL-ZNMIVQPWSA-N 2 0 254.418 1.954 10 0 CDAERP CN(CC[NH2+]CCC(C)(C)C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192400 176073117 /nfs/dbraw/zinc/07/31/17/176073117.db2.gz VXXHDSIRGDCPJQ-CQSZACIVSA-N 2 0 255.450 1.896 10 0 CDAERP CCC[NH2+][C@@H]1CCN(C[C@@H](C)C[NH+]2CCCC2)C1 ZINC000071200151 176077290 /nfs/dbraw/zinc/07/72/90/176077290.db2.gz PYEZNNFFPANEDI-LSDHHAIUSA-N 2 0 253.434 1.792 10 0 CDAERP [NH3+]Cc1cc(F)ccc1C[NH+]1CCC(CO)CC1 ZINC000071250158 176094996 /nfs/dbraw/zinc/09/49/96/176094996.db2.gz VMDYARJUKZLUOX-UHFFFAOYSA-N 2 0 252.333 1.489 10 0 CDAERP CCC[C@](C)(C[NH2+]C)CN1CC[NH+](CC(C)(C)O)CC1 ZINC000071381804 176145694 /nfs/dbraw/zinc/14/56/94/176145694.db2.gz DUKGIKHATWGZSY-MRXNPFEDSA-N 2 0 285.476 1.401 10 0 CDAERP COc1ccc(Cl)cc1C1(C[NH3+])CC[NH2+]CC1 ZINC000071576280 176203749 /nfs/dbraw/zinc/20/37/49/176203749.db2.gz HEUZJMIMCZWTPT-UHFFFAOYSA-N 2 0 254.761 1.929 10 0 CDAERP CN(c1ccccc1)[C@@H](CC[NH3+])C[NH+]1CCOCC1 ZINC000076678804 177056849 /nfs/dbraw/zinc/05/68/49/177056849.db2.gz XNMIJZUNZBXGPV-HNNXBMFYSA-N 2 0 263.385 1.172 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1[NH3+] ZINC000079525977 177515419 /nfs/dbraw/zinc/51/54/19/177515419.db2.gz AHKWWKPXSIJHDA-MRLBHPIUSA-N 2 0 279.428 1.350 10 0 CDAERP C[C@@H]1CCC[N@H+](CCN[C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000422855889 287353916 /nfs/dbraw/zinc/35/39/16/287353916.db2.gz DEBGTZCQHAWGFJ-BMFZPTHFSA-N 2 0 281.444 1.075 10 0 CDAERP CCC[C@H](C)[C@H](CO)[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000517943086 260323504 /nfs/dbraw/zinc/32/35/04/260323504.db2.gz LTOPYNNAPWOLEQ-IRXDYDNUSA-N 2 0 299.503 1.789 10 0 CDAERP C[C@H](C[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1)c1nccs1 ZINC000662276934 423851299 /nfs/dbraw/zinc/85/12/99/423851299.db2.gz AUQHTVDCVCEIIO-NEPJUHHUSA-N 2 0 281.425 1.699 10 0 CDAERP CC(C)NC(=O)[C@H]1CCC[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000663502241 423897342 /nfs/dbraw/zinc/89/73/42/423897342.db2.gz GFCHBJYEWIZUPC-ZNMIVQPWSA-N 2 0 281.444 1.611 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCC1(C[NH3+])CC1 ZINC000652154694 423978074 /nfs/dbraw/zinc/97/80/74/423978074.db2.gz MICVFZCWSKRVHJ-CQSZACIVSA-N 2 0 296.459 1.679 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000655245768 424058266 /nfs/dbraw/zinc/05/82/66/424058266.db2.gz VGUFOBWTKWUFCV-IMJJTQAJSA-N 2 0 293.455 1.850 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)NCCC1=CC[NH2+]CC1 ZINC000652218086 424078193 /nfs/dbraw/zinc/07/81/93/424078193.db2.gz VZVWMJVSLADMQN-UHFFFAOYSA-N 2 0 296.459 1.573 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655246351 424080202 /nfs/dbraw/zinc/08/02/02/424080202.db2.gz JCPBVTISPRYVFY-HZSPNIEDSA-N 2 0 267.417 1.317 10 0 CDAERP CCCN(C(=O)NCCC[N@H+](C)CC(C)C)[C@H]1CC[NH2+]C1 ZINC000652225189 424086546 /nfs/dbraw/zinc/08/65/46/424086546.db2.gz SJNQCUBYMUFEPD-HNNXBMFYSA-N 2 0 298.475 1.748 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)NC1CCC([NH3+])CC1 ZINC000652206948 424032132 /nfs/dbraw/zinc/03/21/32/424032132.db2.gz ZRZVTYYSRZXQMU-UHFFFAOYSA-N 2 0 284.448 1.533 10 0 CDAERP C[C@@H](CNC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)[NH+](C)C ZINC000661274631 424121946 /nfs/dbraw/zinc/12/19/46/424121946.db2.gz HVDQYOORBIHZOS-NWDGAFQWSA-N 2 0 270.421 1.109 10 0 CDAERP C[NH+](C)CC1CCN(C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652243898 424126599 /nfs/dbraw/zinc/12/65/99/424126599.db2.gz MOWZSKMHDVQXCD-UHFFFAOYSA-N 2 0 282.432 1.099 10 0 CDAERP C[NH2+]C1CCN(C(=O)c2ccccc2CC[NH3+])CC1 ZINC000653049952 424170802 /nfs/dbraw/zinc/17/08/02/424170802.db2.gz VCPLNUSVPZOWBR-UHFFFAOYSA-N 2 0 261.369 1.012 10 0 CDAERP C[C@H](CCCC[NH3+])NC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653141979 424364774 /nfs/dbraw/zinc/36/47/74/424364774.db2.gz VPMFWRHSTCMRJD-WXHSDQCUSA-N 2 0 253.390 1.151 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000659621495 424417618 /nfs/dbraw/zinc/41/76/18/424417618.db2.gz GAJSBRNPEPLBNV-MJBXVCDLSA-N 2 0 284.448 1.341 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000655489681 424506291 /nfs/dbraw/zinc/50/62/91/424506291.db2.gz YYFGFWUBOUZDHV-GDLCADMTSA-N 2 0 295.814 1.796 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C[C@@H]([NH3+])c2ccccc2)C1 ZINC000655489363 424507829 /nfs/dbraw/zinc/50/78/29/424507829.db2.gz PAWYMBLOBIUFHJ-VHDGCEQUSA-N 2 0 275.396 1.533 10 0 CDAERP CC(C)(C)[C@H]([NH3+])C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000662885639 424541803 /nfs/dbraw/zinc/54/18/03/424541803.db2.gz UCBRFEQTIWWNIJ-ZIAGYGMSSA-N 2 0 291.395 1.659 10 0 CDAERP [NH3+]C[C@H](NC(=O)CC[C@H]([NH3+])c1ccccc1)C(F)(F)F ZINC000655505153 424668083 /nfs/dbraw/zinc/66/80/83/424668083.db2.gz QHCRJBFGDCGKQS-QWRGUYRKSA-N 2 0 289.301 1.472 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1CC[NH2+]CC ZINC001667302444 1173251067 /nfs/dbraw/zinc/25/10/67/1173251067.db2.gz YCRKTCBVLHHLPQ-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN[C@@H]1CC[NH2+]C12CCC2 ZINC000530177853 271132827 /nfs/dbraw/zinc/13/28/27/271132827.db2.gz IWMYHBDWVFPITI-MRXNPFEDSA-N 2 0 297.406 1.950 10 0 CDAERP CN1C(=O)c2ccccc2[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000530222960 271166208 /nfs/dbraw/zinc/16/62/08/271166208.db2.gz IVPMWVHMBYAKGM-TUURBPCVSA-N 2 0 285.391 1.686 10 0 CDAERP Cl/C=C/C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530238711 271177453 /nfs/dbraw/zinc/17/74/53/271177453.db2.gz AYNPLLAKTDFNNS-GJSZBTHVSA-N 2 0 258.793 1.829 10 0 CDAERP C[C@H](CC[NH2+]Cc1cscn1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001667998567 1173354875 /nfs/dbraw/zinc/35/48/75/1173354875.db2.gz CSCRMNSXCAQZNW-YPMHNXCESA-N 2 0 296.440 1.222 10 0 CDAERP C1C[C@H]([C@H]2CCCC[C@@H]2[NH2+]C2CC[NH2+]CC2)CO1 ZINC000423179623 275737057 /nfs/dbraw/zinc/73/70/57/275737057.db2.gz HPPUEIZHUGQSPF-CFVMTHIKSA-N 2 0 252.402 1.923 10 0 CDAERP CC[N@@H+]1CC[C@@H](C[NH2+]CCC(C)(C)C(=O)OC)C1 ZINC000354158288 276393812 /nfs/dbraw/zinc/39/38/12/276393812.db2.gz AYFIISDKXORGNT-LBPRGKRZSA-N 2 0 256.390 1.507 10 0 CDAERP COC1(C[C@@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)CCC1 ZINC000429517641 277188810 /nfs/dbraw/zinc/18/88/10/277188810.db2.gz KPIZVHLFHURWAK-HUUCEWRRSA-N 2 0 283.460 1.560 10 0 CDAERP COC[C@]1(C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)CCC[NH2+]1 ZINC000423412790 277269531 /nfs/dbraw/zinc/26/95/31/277269531.db2.gz IONMWKNXKQEMCL-QBPKDAKJSA-N 2 0 296.455 1.940 10 0 CDAERP CC(C)[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2CO)CC1 ZINC000153818920 277585034 /nfs/dbraw/zinc/58/50/34/277585034.db2.gz NVCHJEUPPRYEPJ-UKRRQHHQSA-N 2 0 254.418 2.000 10 0 CDAERP C[C@@H](C[NH2+][C@@H]1CCCc2n[nH]cc21)CN1CC[NH+](C)CC1 ZINC000367599111 278285434 /nfs/dbraw/zinc/28/54/34/278285434.db2.gz XPHLZLVNTCUGDL-DZGCQCFKSA-N 2 0 291.443 1.260 10 0 CDAERP C[C@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000346604796 278337951 /nfs/dbraw/zinc/33/79/51/278337951.db2.gz DCRHEKOCVCLMKO-XJKSGUPXSA-N 2 0 293.455 1.898 10 0 CDAERP CC(C)(C)OC(=O)N(CC[NH3+])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000058040451 278377704 /nfs/dbraw/zinc/37/77/04/278377704.db2.gz UWEPLGZIPDOMMX-GFCCVEGCSA-N 2 0 269.389 1.419 10 0 CDAERP CC(C)C[C@H](C[NH3+])NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000418411466 279138542 /nfs/dbraw/zinc/13/85/42/279138542.db2.gz FTEBUVLOQJKPKE-KGLIPLIRSA-N 2 0 280.416 1.016 10 0 CDAERP C[C@@]1(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)CC[NH2+]C1 ZINC000262026928 279159099 /nfs/dbraw/zinc/15/90/99/279159099.db2.gz NQNVLMSSISKBNI-CZUORRHYSA-N 2 0 289.427 1.403 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000417590749 279270687 /nfs/dbraw/zinc/27/06/87/279270687.db2.gz WKYVCHDJAJMMQG-KFWWJZLASA-N 2 0 294.443 1.254 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000108557021 279308256 /nfs/dbraw/zinc/30/82/56/279308256.db2.gz IRQZWAGUTPEDHB-HUUCEWRRSA-N 2 0 298.475 1.604 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000462015555 279374509 /nfs/dbraw/zinc/37/45/09/279374509.db2.gz QLEWLCDLWSSIDQ-SOUVJXGZSA-N 2 0 298.475 1.839 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000232645422 279481388 /nfs/dbraw/zinc/48/13/88/279481388.db2.gz NQXVDPDLXQARFM-AWEZNQCLSA-N 2 0 281.444 1.754 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](CC(C)C)C[NH+](C)C)C1 ZINC000194152582 280025577 /nfs/dbraw/zinc/02/55/77/280025577.db2.gz LOLSEQXHLXIWBO-CABCVRRESA-N 2 0 298.475 1.746 10 0 CDAERP CC[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH+]2CCOC)[C@@H](C)C1 ZINC000246917592 280310001 /nfs/dbraw/zinc/31/00/01/280310001.db2.gz GEJMTVZFCRDUSY-JYJNAYRXSA-N 2 0 283.460 1.417 10 0 CDAERP CCCCOC[C@@H](O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000248647984 280370922 /nfs/dbraw/zinc/37/09/22/280370922.db2.gz JBDGGOFPLFVZGL-CVEARBPZSA-N 2 0 286.460 1.970 10 0 CDAERP CC[C@@H]1C[C@@H](C[NH2+]C[C@](C)(O)C[NH+](C)C)CCO1 ZINC000355666510 280535460 /nfs/dbraw/zinc/53/54/60/280535460.db2.gz CQUJSJXMUDTSIL-MJBXVCDLSA-N 2 0 258.406 1.094 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000334929223 280998174 /nfs/dbraw/zinc/99/81/74/280998174.db2.gz GQCXUIJMEMPBBI-OLZOCXBDSA-N 2 0 267.417 1.352 10 0 CDAERP CC1(C)CN(C(=O)CC2(C[NH3+])CCCCC2)CC[C@@H]1[NH3+] ZINC000261845791 281161787 /nfs/dbraw/zinc/16/17/87/281161787.db2.gz LZERSMHMQFHXKQ-ZDUSSCGKSA-N 2 0 281.444 1.872 10 0 CDAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C[NH+](CC)C1CC1 ZINC000246369203 281196604 /nfs/dbraw/zinc/19/66/04/281196604.db2.gz YGQRPVZPNYCZPK-ZFWWWQNUSA-N 2 0 279.428 1.556 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000418602405 288320896 /nfs/dbraw/zinc/32/08/96/288320896.db2.gz VPZPPHLKGKUDHD-KFWWJZLASA-N 2 0 294.443 1.254 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000417860134 288322109 /nfs/dbraw/zinc/32/21/09/288322109.db2.gz XSRHAFSLRAWALH-RFGFWPKPSA-N 2 0 282.432 1.156 10 0 CDAERP CC1(C)NC(=O)CC[C@@H]1[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000335488204 281385572 /nfs/dbraw/zinc/38/55/72/281385572.db2.gz OYJRFRHXKWUHOQ-SMDDNHRTSA-N 2 0 253.390 1.023 10 0 CDAERP CCN(CC[NH2+]CC1CCOCC1)C(=O)C[N@H+](C)C(C)C ZINC001668652328 1173435358 /nfs/dbraw/zinc/43/53/58/1173435358.db2.gz MDHPMKYEPDQNHH-UHFFFAOYSA-N 2 0 299.459 1.191 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000061611509 289066951 /nfs/dbraw/zinc/06/69/51/289066951.db2.gz AGOBJHMCYPXUGZ-OAHLLOKOSA-N 2 0 275.396 1.282 10 0 CDAERP CCC[C@H](C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)[NH+](C)C ZINC000152980797 289152597 /nfs/dbraw/zinc/15/25/97/289152597.db2.gz WBEXANAXRUKSBA-OUCADQQQSA-N 2 0 267.417 1.458 10 0 CDAERP C[C@@]1(C[N@@H+]2CCC[C@H]2C2CCOCC2)CC[NH2+]C1 ZINC000261980340 289164634 /nfs/dbraw/zinc/16/46/34/289164634.db2.gz JCRXSJNESCHKRO-LSDHHAIUSA-N 2 0 252.402 1.877 10 0 CDAERP CC/C=C\CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001668745360 1173453695 /nfs/dbraw/zinc/45/36/95/1173453695.db2.gz FDLPQRXXIQCAHW-CCMWRPTBSA-N 2 0 279.428 1.699 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C[NH3+])C2)[C@H]2CCC[C@H]21 ZINC000423494002 290224285 /nfs/dbraw/zinc/22/42/85/290224285.db2.gz CKWMOBIDULUCEX-VYDRJRHOSA-N 3 0 251.418 1.576 10 0 CDAERP CC[N@H+](C)C[C@H](O)CN1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000555880262 290243544 /nfs/dbraw/zinc/24/35/44/290243544.db2.gz JIIONSYNPRMEBH-PMPSAXMXSA-N 2 0 283.460 1.246 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](c1ccccc1)N(C)C ZINC000234723866 292805161 /nfs/dbraw/zinc/80/51/61/292805161.db2.gz UJNRQKVKPLDAKS-HZPDHXFCSA-N 2 0 279.428 1.633 10 0 CDAERP CCC[C@@H](C(=O)NC[C@H](C)[NH+]1CCC(C)CC1)[NH+](C)C ZINC000161804488 292813474 /nfs/dbraw/zinc/81/34/74/292813474.db2.gz FJUCNOYSDAGSNO-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](C)N(C)c1ccccc1 ZINC000422870601 293095880 /nfs/dbraw/zinc/09/58/80/293095880.db2.gz ZAGBNWOQPDWGBD-CABCVRRESA-N 2 0 279.428 1.855 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000563110468 293277570 /nfs/dbraw/zinc/27/75/70/293277570.db2.gz WVGJIQKMWYFHEC-MGPQQGTHSA-N 2 0 267.417 1.365 10 0 CDAERP CCO[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1n1cccn1 ZINC000568748542 294092716 /nfs/dbraw/zinc/09/27/16/294092716.db2.gz CZMGLJGGQJEQIB-DHNOEEMTSA-N 2 0 290.411 1.474 10 0 CDAERP [NH3+]C1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000225650659 295211833 /nfs/dbraw/zinc/21/18/33/295211833.db2.gz SMHFMGOSEUIVAW-JKZOPUQSSA-N 2 0 265.401 1.293 10 0 CDAERP C[C@@H]1CCC[C@@H](C(=O)NCC(C)(C)[NH+](C)C)[C@@H]1[NH3+] ZINC000055141714 524264271 /nfs/dbraw/zinc/26/42/71/524264271.db2.gz AFKNGOBWGTXGPR-IJLUTSLNSA-N 2 0 255.406 1.206 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)NC/C=C\C[NH2+]CCCF)CC1 ZINC001669118135 1173507798 /nfs/dbraw/zinc/50/77/98/1173507798.db2.gz HJROEURBDPGMAX-ARJAWSKDSA-N 2 0 299.434 1.728 10 0 CDAERP C[C@H]1CC[NH2+]CC[C@H]1NC1CC([NH+]2CCCCC2)C1 ZINC000335020911 299998734 /nfs/dbraw/zinc/99/87/34/299998734.db2.gz CUEUXGSBNPKKLW-SLTXQBBLSA-N 2 0 265.445 1.981 10 0 CDAERP C[C@H]1CC[NH2+][C@H](C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000253148752 300004610 /nfs/dbraw/zinc/00/46/10/300004610.db2.gz BDRPPXITHVHTJS-MNFFZHCASA-N 2 0 279.428 1.506 10 0 CDAERP C[C@H](C[NH2+]CCCF)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001669411314 1173546606 /nfs/dbraw/zinc/54/66/06/1173546606.db2.gz DGHODBLQLGDOJG-ZIAGYGMSSA-N 2 0 287.423 1.705 10 0 CDAERP [NH3+][C@H](C(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1)C1CCC1 ZINC000333341579 303477254 /nfs/dbraw/zinc/47/72/54/303477254.db2.gz YEYQLCCDJBEFQH-RDBSUJKOSA-N 2 0 265.401 1.104 10 0 CDAERP CC/C=C/CC[N@H+](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001669909493 1173629884 /nfs/dbraw/zinc/62/98/84/1173629884.db2.gz GEDCDNKEOXKFKX-NFAHFFEMSA-N 2 0 293.455 1.875 10 0 CDAERP CN(CCC[NH2+]CCCF)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001670095455 1173653235 /nfs/dbraw/zinc/65/32/35/1173653235.db2.gz LOAWZOJNCMEDHL-CQSZACIVSA-N 2 0 285.407 1.126 10 0 CDAERP CCC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001670276383 1173669401 /nfs/dbraw/zinc/66/94/01/1173669401.db2.gz YLQSQKFTSRAZHK-GJZGRUSLSA-N 2 0 281.444 1.851 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@@H](C[NH2+]CCF)C2CCCC2)C1 ZINC001671555165 1173689038 /nfs/dbraw/zinc/68/90/38/1173689038.db2.gz WZNURCOWVIWKSV-HIFRSBDPSA-N 2 0 299.434 1.562 10 0 CDAERP CCC[C@@H](C)C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000180032875 316000062 /nfs/dbraw/zinc/00/00/62/316000062.db2.gz YITMAZYIEYEVNI-OAHLLOKOSA-N 2 0 281.444 1.663 10 0 CDAERP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@H]2CCCC23CC3)C1 ZINC000576362136 317127130 /nfs/dbraw/zinc/12/71/30/317127130.db2.gz UXGWEAGXYPSDAG-KBPBESRZSA-N 2 0 279.428 1.496 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CCCC[NH+]2CCOCC2)C[C@H](C)O1 ZINC000576909472 317228675 /nfs/dbraw/zinc/22/86/75/317228675.db2.gz XOVISEIFFYMFOF-FICVDOATSA-N 2 0 270.417 1.644 10 0 CDAERP c1cncc(CNCCC[NH2+]CC2CC[NH2+]CC2)c1 ZINC000576943561 317235304 /nfs/dbraw/zinc/23/53/04/317235304.db2.gz HFVHPPQMQKDFBC-UHFFFAOYSA-N 2 0 262.401 1.151 10 0 CDAERP COCC[NH2+]C1CCN(C[C@H]([NH3+])CC(C)C)CC1 ZINC000577067735 317260277 /nfs/dbraw/zinc/26/02/77/317260277.db2.gz JZZZTTDAESFEBK-CYBMUJFWSA-N 2 0 257.422 1.060 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC000578763165 324018716 /nfs/dbraw/zinc/01/87/16/324018716.db2.gz OCETYSBFRPWKOO-UXLLHSPISA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H]([NH3+])C1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000579004968 324080914 /nfs/dbraw/zinc/08/09/14/324080914.db2.gz WXCWZRGKUKONSU-ZFWWWQNUSA-N 2 0 281.444 1.837 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000579267015 324146709 /nfs/dbraw/zinc/14/67/09/324146709.db2.gz XMOMQFDJVWWOLQ-ZIAGYGMSSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C[C@@H]1C ZINC000580710609 324538017 /nfs/dbraw/zinc/53/80/17/324538017.db2.gz HCGYIMYMVZMBBC-FXUDXRNXSA-N 2 0 283.460 1.009 10 0 CDAERP CC(C)[N@@H+]1CCCN(C(=O)c2ccccc2CC[NH3+])CC1 ZINC000582613579 325010460 /nfs/dbraw/zinc/01/04/60/325010460.db2.gz IVVWFUIUXDWMIS-UHFFFAOYSA-N 2 0 289.423 1.744 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000583193261 325124723 /nfs/dbraw/zinc/12/47/23/325124723.db2.gz QDAFHZLIRNSBRF-ZNMIVQPWSA-N 2 0 296.459 1.548 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@H](C[NH2+]CCF)C2CC2)C1 ZINC001725465948 1159242584 /nfs/dbraw/zinc/24/25/84/1159242584.db2.gz RTAADNXHPNZDAI-TZMCWYRMSA-N 2 0 285.407 1.124 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001725651725 1159262173 /nfs/dbraw/zinc/26/21/73/1159262173.db2.gz GJEOVAPAORZKAC-KGLIPLIRSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@@H](C(=O)N1CC[C@H](C[NH2+]CCF)C1)[NH+]1CCCCCC1 ZINC001731675759 1159324949 /nfs/dbraw/zinc/32/49/49/1159324949.db2.gz MOFKVLKQADMIDO-LSDHHAIUSA-N 2 0 299.434 1.659 10 0 CDAERP CCC[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001699459799 1159660521 /nfs/dbraw/zinc/66/05/21/1159660521.db2.gz IUUFYEZGUCLUAC-STQMWFEESA-N 2 0 255.406 1.175 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[C@H](C(F)(F)F)O2)C1 ZINC000722391170 1159788695 /nfs/dbraw/zinc/78/86/95/1159788695.db2.gz FTDWNLIIWHQIRM-LMLFDSFASA-N 2 0 266.307 1.956 10 0 CDAERP CCOCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001671256478 1160003450 /nfs/dbraw/zinc/00/34/50/1160003450.db2.gz GJDGLYHSGIBQHK-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@@H](CNC(=O)CC1([NH3+])CC1)[N@H+](C)Cc1ccccc1 ZINC000398048577 482220628 /nfs/dbraw/zinc/22/06/28/482220628.db2.gz VARRRWYXTIAFQX-ZDUSSCGKSA-N 2 0 275.396 1.505 10 0 CDAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)CC1([NH3+])CC1 ZINC000398055430 482231372 /nfs/dbraw/zinc/23/13/72/482231372.db2.gz YKBBAVWWJAMIJO-ZFWWWQNUSA-N 2 0 287.407 1.505 10 0 CDAERP CN1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000226015006 482381007 /nfs/dbraw/zinc/38/10/07/482381007.db2.gz OBFDGHNPXAQDHR-LJISPDSOSA-N 2 0 251.418 1.591 10 0 CDAERP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)cc1 ZINC000668597720 482485982 /nfs/dbraw/zinc/48/59/82/482485982.db2.gz FPJKDLLIRGQNGO-DOTOQJQBSA-N 2 0 290.407 1.584 10 0 CDAERP CN(C)C(=O)c1ccccc1C[NH2+][C@@H]1CCCN(C)C1 ZINC000669528883 482594610 /nfs/dbraw/zinc/59/46/10/482594610.db2.gz PEAPWJJBFNCFKY-CQSZACIVSA-N 2 0 275.396 1.572 10 0 CDAERP [NH3+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000238063287 482806439 /nfs/dbraw/zinc/80/64/39/482806439.db2.gz FGMACXYAMUTSCT-MJBXVCDLSA-N 2 0 267.417 1.481 10 0 CDAERP C[N@H+](CCc1ccc(F)cc1)C[C@@H]1CNCCO1 ZINC000258843675 482808218 /nfs/dbraw/zinc/80/82/18/482808218.db2.gz FIHVMHAMVUHUFK-AWEZNQCLSA-N 2 0 252.333 1.288 10 0 CDAERP CC[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)CO1 ZINC000657363677 482854491 /nfs/dbraw/zinc/85/44/91/482854491.db2.gz AQUKSMLEYFHBOM-NUEKZKHPSA-N 2 0 282.428 1.644 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)C[C@@H]([NH3+])C(C)C)C1 ZINC000136460045 482919357 /nfs/dbraw/zinc/91/93/57/482919357.db2.gz OEKFQTMAKRIKJH-CHWSQXEVSA-N 2 0 255.406 1.303 10 0 CDAERP C([NH2+][C@@H]1CO[C@H](C2CC2)C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000667781606 482925568 /nfs/dbraw/zinc/92/55/68/482925568.db2.gz OCPLDMIOTYPSQS-WHOFXGATSA-N 2 0 250.386 1.628 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000666930234 483006147 /nfs/dbraw/zinc/00/61/47/483006147.db2.gz FQGKRZZETPGRCY-GJZGRUSLSA-N 2 0 291.439 1.987 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000250862923 483028509 /nfs/dbraw/zinc/02/85/09/483028509.db2.gz QQBIFWNAFDGFED-XDQVBPFNSA-N 2 0 265.401 1.104 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000089457974 483081148 /nfs/dbraw/zinc/08/11/48/483081148.db2.gz BEGUXCGPDHNWER-GOEBONIOSA-N 2 0 293.455 1.838 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)C[C@H]1CC[NH2+]C1 ZINC000089745468 483129745 /nfs/dbraw/zinc/12/97/45/483129745.db2.gz CEHMBDDBVQHQEO-CYBMUJFWSA-N 2 0 255.406 1.032 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)C[C@@H]([NH3+])C(C)C ZINC000136318598 483389269 /nfs/dbraw/zinc/38/92/69/483389269.db2.gz RJMOAPTUOVHFHL-QWHCGFSZSA-N 2 0 257.422 1.452 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000667936426 483484581 /nfs/dbraw/zinc/48/45/81/483484581.db2.gz KEZDOJFGBGVRHC-KFWWJZLASA-N 2 0 270.417 1.500 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC000676696441 483563426 /nfs/dbraw/zinc/56/34/26/483563426.db2.gz ZIUGNEYDPGHWDX-ZFWWWQNUSA-N 2 0 279.428 1.604 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1cccc(F)c1 ZINC001409364662 1160822625 /nfs/dbraw/zinc/82/26/25/1160822625.db2.gz AGCJKKFDXSWBLZ-QWHCGFSZSA-N 2 0 295.402 1.760 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000052882870 519814247 /nfs/dbraw/zinc/81/42/47/519814247.db2.gz GKHUTJWSKVPTEH-GOEBONIOSA-N 2 0 277.412 1.563 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@@H](C[N@@H+]2CCOC(C)(C)C2)O1 ZINC000052481884 519953780 /nfs/dbraw/zinc/95/37/80/519953780.db2.gz VPFOLAVVPMMAMV-STQMWFEESA-N 2 0 256.390 1.254 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001707471046 1178067025 /nfs/dbraw/zinc/06/70/25/1178067025.db2.gz AHBJIZAXMXVAGB-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CC[NH2+][C@@](C)(CCCN1CC[NH+]([C@H](C)CC)CC1)C(N)=O ZINC000055070261 520133131 /nfs/dbraw/zinc/13/31/31/520133131.db2.gz LCFWPMBJFPQCGI-ZBFHGGJFSA-N 2 0 298.475 1.036 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)NCC[NH+](C(C)C)C(C)C ZINC000061268775 520165698 /nfs/dbraw/zinc/16/56/98/520165698.db2.gz GGYDGHSTJXLXGF-CYBMUJFWSA-N 2 0 257.422 1.610 10 0 CDAERP CCC(CC)[C@H](CNC(=O)[C@H]1CC[NH2+]C1)[NH+]1CCCC1 ZINC000236692135 521616777 /nfs/dbraw/zinc/61/67/77/521616777.db2.gz PYVKEAIPJFLYST-GJZGRUSLSA-N 2 0 281.444 1.613 10 0 CDAERP CC[NH2+]C[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001714454965 1179146460 /nfs/dbraw/zinc/14/64/60/1179146460.db2.gz VLUCAMVJULEUAL-KGLIPLIRSA-N 2 0 269.433 1.469 10 0 CDAERP CCCN(CCC)C(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923499674 1161545552 /nfs/dbraw/zinc/54/55/52/1161545552.db2.gz NCFYOWPCEZHDHB-KGLIPLIRSA-N 2 0 269.433 1.552 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)NCCC(C)(C)C)CC[C@H]1C[NH3+] ZINC000923499428 1161545228 /nfs/dbraw/zinc/54/52/28/1161545228.db2.gz NTICRQJZZFGKOC-OLZOCXBDSA-N 2 0 269.433 1.456 10 0 CDAERP C[NH2+]Cc1cc(C[N@H+](CCOC)[C@H](C)COC)oc1C ZINC000052572323 522108069 /nfs/dbraw/zinc/10/80/69/522108069.db2.gz URSQRPAQXPNJCW-GFCCVEGCSA-N 2 0 284.400 1.791 10 0 CDAERP C[NH2+]Cc1nc(CN2CC[NH+](C(C)C)CC2)cs1 ZINC000052479945 522151936 /nfs/dbraw/zinc/15/19/36/522151936.db2.gz OWSPIEFISMVMIR-UHFFFAOYSA-N 2 0 268.430 1.389 10 0 CDAERP C[NH2+][C@H]1CCCCCC[C@H]1N1CC[C@H]([NH+](C)C)C1 ZINC000062965286 522491384 /nfs/dbraw/zinc/49/13/84/522491384.db2.gz JDQITPYRRJMFBK-SOUVJXGZSA-N 2 0 253.434 1.933 10 0 CDAERP CC[C@@H](C[NH2+]C(C)C)N1CC[NH+](CC2CC2)CC1 ZINC000052372413 522542613 /nfs/dbraw/zinc/54/26/13/522542613.db2.gz DADUBWZOKSZASG-HNNXBMFYSA-N 2 0 253.434 1.791 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@]1(CC)CC[NH2+]C1 ZINC000092629692 535588328 /nfs/dbraw/zinc/58/83/28/535588328.db2.gz NJSWIXXEUYSEKB-ZFWWWQNUSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001734338338 1183738858 /nfs/dbraw/zinc/73/88/58/1183738858.db2.gz CAEWFLWULUHTKF-CQSZACIVSA-N 2 0 281.444 1.731 10 0 CDAERP CC(C)[NH+]1CCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000055087652 519680085 /nfs/dbraw/zinc/68/00/85/519680085.db2.gz DMPLURHLFMEQRT-QWHCGFSZSA-N 2 0 253.390 1.057 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H](C)[NH2+]2)CC1 ZINC000055082553 519724436 /nfs/dbraw/zinc/72/44/36/519724436.db2.gz AHYIHNIJYZHSGV-KGLIPLIRSA-N 2 0 267.417 1.317 10 0 CDAERP CCC[NH+]1CCC(NC(=[NH2+])NC2CCCC2)CC1 ZINC000052048704 519844949 /nfs/dbraw/zinc/84/49/49/519844949.db2.gz NCDMKDMHLMSMIB-UHFFFAOYSA-N 2 0 252.406 1.917 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)C1CC1 ZINC000340726064 519854382 /nfs/dbraw/zinc/85/43/82/519854382.db2.gz GFZFLSKRMQKKHJ-OCCSQVGLSA-N 2 0 267.417 1.460 10 0 CDAERP CCC[NH+]1CCN(C(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000061610953 519856313 /nfs/dbraw/zinc/85/63/13/519856313.db2.gz LPYKPXOYTDYFGG-OAHLLOKOSA-N 2 0 275.396 1.283 10 0 CDAERP CCC1CC[NH+](CCC[C@](C)([NH2+]C)C(N)=O)CC1 ZINC000045428425 519859150 /nfs/dbraw/zinc/85/91/50/519859150.db2.gz RNDYFRXNWJYQIH-AWEZNQCLSA-N 2 0 255.406 1.352 10 0 CDAERP CCCNC(=O)CC[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]C)C2 ZINC000054629079 519870739 /nfs/dbraw/zinc/87/07/39/519870739.db2.gz PCVNMJDJJAIBSN-YHWZYXNKSA-N 2 0 253.390 1.118 10 0 CDAERP CCCNC(=O)CC[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000052206211 519872477 /nfs/dbraw/zinc/87/24/77/519872477.db2.gz VYSNVVLXIISPEW-CYBMUJFWSA-N 2 0 255.406 1.367 10 0 CDAERP CCC[NH2+]CCNC(=O)c1ccccc1OCC[NH+](C)C ZINC000236829331 519917263 /nfs/dbraw/zinc/91/72/63/519917263.db2.gz MYQVGJFMIXGSKW-UHFFFAOYSA-N 2 0 293.411 1.356 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](CC)C[C@@H]2CCCO2)O1 ZINC000052511042 519951667 /nfs/dbraw/zinc/95/16/67/519951667.db2.gz RRPFLADLOKBDEK-KKUMJFAQSA-N 2 0 270.417 1.644 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)[C@@H]2CCSC2)O1 ZINC000052453573 519952823 /nfs/dbraw/zinc/95/28/23/519952823.db2.gz WPKWKBROJVNFKX-FRRDWIJNSA-N 2 0 258.431 1.581 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)N(CC[NH+](C)C)Cc1cccnc1 ZINC000061265987 519960992 /nfs/dbraw/zinc/96/09/92/519960992.db2.gz LHIYYOFRGPMMHH-AWEZNQCLSA-N 2 0 292.427 1.217 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@@H]1CC[C@H]([NH3+])C[C@@H]1C ZINC000055123430 520618526 /nfs/dbraw/zinc/61/85/26/520618526.db2.gz IWYIOOBMFRBAIQ-MELADBBJSA-N 2 0 269.433 1.598 10 0 CDAERP CC[NH+](CC)CCNC(=O)[C@H]1CCC[C@@H](CC[NH3+])C1 ZINC000055145567 520681209 /nfs/dbraw/zinc/68/12/09/520681209.db2.gz YOWFEMBOQWMWTH-KBPBESRZSA-N 2 0 269.433 1.600 10 0 CDAERP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H](C)[NH2+]C ZINC000054076411 520760071 /nfs/dbraw/zinc/76/00/71/520760071.db2.gz KWOQZFWDZOJYIA-CYBMUJFWSA-N 2 0 277.412 1.753 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN([C@](C)(C[NH3+])CCOC)C1 ZINC000062978265 520849277 /nfs/dbraw/zinc/84/92/77/520849277.db2.gz BWABIBSBDDXPNV-KGLIPLIRSA-N 2 0 257.422 1.156 10 0 CDAERP CCOC(=O)[C@@](C)(C[C@@H](C)[N@H+](C)C[C@@H]1CC[NH+](C)C1)NC ZINC000068646558 521146875 /nfs/dbraw/zinc/14/68/75/521146875.db2.gz XTSCAOYNOTWRBG-IIAWOOMASA-N 2 0 299.459 1.190 10 0 CDAERP CCCC[C@](CC)(C[NH3+])[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000069381100 521255789 /nfs/dbraw/zinc/25/57/89/521255789.db2.gz XAVBHVBXVZFIRN-JKSUJKDBSA-N 2 0 283.460 1.691 10 0 CDAERP CCC[C@]1(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC[NH2+]C1 ZINC000062902575 521301017 /nfs/dbraw/zinc/30/10/17/521301017.db2.gz XEPPZIQNAKBAHK-WFASDCNBSA-N 2 0 265.401 1.119 10 0 CDAERP CCC(C)(C)NC(=O)C[N@H+](CCC[NH3+])C1CCCC1 ZINC000049281637 521314701 /nfs/dbraw/zinc/31/47/01/521314701.db2.gz GBOOLDOLEOBSLN-UHFFFAOYSA-N 2 0 269.433 1.885 10 0 CDAERP CCOC(=O)[C@](C)(N)C[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000068632205 521328165 /nfs/dbraw/zinc/32/81/65/521328165.db2.gz VGDDTIWRLIRAPI-CZUORRHYSA-N 2 0 299.459 1.319 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@H]2CCC[C@H]([NH3+])[C@@H]2C)CC1 ZINC000055140042 521551059 /nfs/dbraw/zinc/55/10/59/521551059.db2.gz VRICISLLEHKBJZ-SNPRPXQTSA-N 2 0 281.444 1.598 10 0 CDAERP CCOC1CC[NH+](CC2(C[NH3+])CCOCC2)CC1 ZINC000052182175 521655931 /nfs/dbraw/zinc/65/59/31/521655931.db2.gz RTKULMZCNHZPNX-UHFFFAOYSA-N 2 0 256.390 1.243 10 0 CDAERP CCCN(CC[NH+](C)C)Cc1ccc[nH+]c1NN ZINC000052720828 521657934 /nfs/dbraw/zinc/65/79/34/521657934.db2.gz PKXRSFJWEOSSNI-UHFFFAOYSA-N 2 0 251.378 1.141 10 0 CDAERP CC[NH+]1CCN(Cc2cc(C[NH2+]C)oc2C)CC1 ZINC000052422522 521687998 /nfs/dbraw/zinc/68/79/98/521687998.db2.gz PHZVQSQAXKFPKO-UHFFFAOYSA-N 2 0 251.374 1.445 10 0 CDAERP CC[NH+]1CCN(Cc2cc(C[NH2+]C(C)(C)C)no2)CC1 ZINC000052422373 521688136 /nfs/dbraw/zinc/68/81/36/521688136.db2.gz IWCSCPNHRLFILU-UHFFFAOYSA-N 2 0 280.416 1.700 10 0 CDAERP CCOCCCC[NH2+]CCN1CC[NH+]([C@@H](C)CC)CC1 ZINC000055074918 521703516 /nfs/dbraw/zinc/70/35/16/521703516.db2.gz XYWKDEPQXXMVSG-INIZCTEOSA-N 2 0 285.476 1.809 10 0 CDAERP CN(C)C[C@@H]1CCC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000061652451 521839382 /nfs/dbraw/zinc/83/93/82/521839382.db2.gz OYIZIQYLYKNTQT-HNNXBMFYSA-N 2 0 253.434 1.792 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1[C@@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000061642740 521872377 /nfs/dbraw/zinc/87/23/77/521872377.db2.gz VSGXWMIAHWMUBR-CVEARBPZSA-N 2 0 289.423 1.647 10 0 CDAERP C[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2ccccc2OC)O1 ZINC000052542303 522093316 /nfs/dbraw/zinc/09/33/16/522093316.db2.gz CLAFCAIRKBQKHO-CABCVRRESA-N 2 0 278.396 1.894 10 0 CDAERP C[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2ccsc2)O1 ZINC000052457374 522093974 /nfs/dbraw/zinc/09/39/74/522093974.db2.gz NVRABTRWSSSEGM-OLZOCXBDSA-N 2 0 254.399 1.947 10 0 CDAERP C[NH+](C)[C@H]1CCN(c2cc(C(N)=[NH2+])c3ccccc3n2)C1 ZINC000068798045 522104129 /nfs/dbraw/zinc/10/41/29/522104129.db2.gz BLJNUSSUPFJSOF-NSHDSACASA-N 2 0 283.379 1.659 10 0 CDAERP C[NH2+]Cc1cccc(N2CC[NH+](C3CCCC3)CC2)n1 ZINC000052063936 522127451 /nfs/dbraw/zinc/12/74/51/522127451.db2.gz QBTXUTVJZDISDQ-UHFFFAOYSA-N 2 0 274.412 1.866 10 0 CDAERP C[NH2+]Cc1ccnc(N2CC[NH+](CC(C)C)CC2)c1 ZINC000055082544 522138469 /nfs/dbraw/zinc/13/84/69/522138469.db2.gz SQWPLVOYJQEFJO-UHFFFAOYSA-N 2 0 262.401 1.579 10 0 CDAERP C[NH2+][C@@H]1CCCC[C@@H]1N1CC[NH+](CC(C)C)CC1 ZINC000055079254 522378114 /nfs/dbraw/zinc/37/81/14/522378114.db2.gz ZIOOSNRMUNKHJQ-CABCVRRESA-N 2 0 253.434 1.791 10 0 CDAERP C[NH2+][C@H](C)c1cnc(N2CCN(CC[NH+](C)C)CC2)s1 ZINC000061655494 522454419 /nfs/dbraw/zinc/45/44/19/522454419.db2.gz FNGIRQHNAXNPIM-GFCCVEGCSA-N 2 0 297.472 1.107 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1COc2ccccc2O1 ZINC000234792899 522668080 /nfs/dbraw/zinc/66/80/80/522668080.db2.gz HHDCFUXRJLDVRL-STQMWFEESA-N 2 0 280.368 1.170 10 0 CDAERP CC[C@@H]1CC[C@H]([NH2+]C)[C@H](N2CCN(CC[NH+](C)C)CC2)C1 ZINC000061643849 523368036 /nfs/dbraw/zinc/36/80/36/523368036.db2.gz LPTQFKUURGIXIF-IXDOHACOSA-N 2 0 296.503 1.332 10 0 CDAERP CN(C(=O)[C@H]1CCCC[C@@H]1[NH3+])C1CC[NH+](C)CC1 ZINC000055086198 523907491 /nfs/dbraw/zinc/90/74/91/523907491.db2.gz BCSFBTNCPPMCMH-STQMWFEESA-N 2 0 253.390 1.057 10 0 CDAERP CC[C@H](C)[NH+]1CCN(CC[NH2+]CCN(CC)CC)CC1 ZINC000055075126 523953944 /nfs/dbraw/zinc/95/39/44/523953944.db2.gz YIFNSTZVFSDRBN-INIZCTEOSA-N 2 0 284.492 1.334 10 0 CDAERP CC[C@H](C)[NH+]1CCN([C@@H]2CCCC[C@@H]2[NH2+]C)CC1 ZINC000055065805 523958516 /nfs/dbraw/zinc/95/85/16/523958516.db2.gz BMQWRFKYWIUAFH-SOUVJXGZSA-N 2 0 253.434 1.933 10 0 CDAERP CC[C@H](C)[NH+]1CCN(c2ncc(C[NH3+])s2)CC1 ZINC000055076297 523961870 /nfs/dbraw/zinc/96/18/70/523961870.db2.gz CYYGAEYKZSMSNN-JTQLQIEISA-N 2 0 254.403 1.522 10 0 CDAERP C[NH+](C)C1CCN(C(=O)C[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000055128241 524038470 /nfs/dbraw/zinc/03/84/70/524038470.db2.gz MBAKQUBJKHINJM-CHWSQXEVSA-N 2 0 267.417 1.447 10 0 CDAERP C[NH+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2N)CC1 ZINC000051327003 524049922 /nfs/dbraw/zinc/04/99/22/524049922.db2.gz WRYZGVUNNZAHLV-MRXNPFEDSA-N 2 0 277.412 1.576 10 0 CDAERP C[C@H]1CCC[NH2+][C@H]1C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000051794001 524124918 /nfs/dbraw/zinc/12/49/18/524124918.db2.gz ZPNYBQFJIPBLBJ-GXTWGEPZSA-N 2 0 267.417 1.175 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)C1CCC(C[NH3+])CC1 ZINC000055163027 524153967 /nfs/dbraw/zinc/15/39/67/524153967.db2.gz NZSZETBKOKDQLH-PNESKVBLSA-N 2 0 255.406 1.208 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050951362 524155490 /nfs/dbraw/zinc/15/54/90/524155490.db2.gz MAFRSPHSGYSYLA-CHWSQXEVSA-N 2 0 255.406 1.365 10 0 CDAERP C[C@@H](CCC[NH2+]C(C)(C)C)[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061654960 524457122 /nfs/dbraw/zinc/45/71/22/524457122.db2.gz ROIWLUUIHAROGN-INIZCTEOSA-N 3 0 298.519 1.722 10 0 CDAERP C[C@@H]1CC[C@@H]([NH3+])C[C@@H]1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000055132635 524602197 /nfs/dbraw/zinc/60/21/97/524602197.db2.gz DQPGGAIVDOYUTR-FMKPAKJESA-N 2 0 293.455 1.837 10 0 CDAERP C[C@@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000055134927 524684071 /nfs/dbraw/zinc/68/40/71/524684071.db2.gz XVNGGMBOEBUHNZ-SNPRPXQTSA-N 2 0 281.444 1.550 10 0 CDAERP C[C@H]1C[C@@H]([NH3+])CC[C@@H]1C(=O)N1CCC([NH+](C)C)CC1 ZINC000055128252 524785287 /nfs/dbraw/zinc/78/52/87/524785287.db2.gz LVCCRJGXEIPNFX-OBJOEFQTSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@H]1C[C@@H]([NH3+])CC[C@@H]1C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000061656218 524788102 /nfs/dbraw/zinc/78/81/02/524788102.db2.gz XGQMKZPPBZPJFM-FQUUOJAGSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@@H]([NH3+])c1cccc(NC(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000062984108 525030912 /nfs/dbraw/zinc/03/09/12/525030912.db2.gz NOHHFJYMVRCAJE-RISCZKNCSA-N 2 0 276.384 1.874 10 0 CDAERP C[C@@H]1C[C@H]([NH3+])CC[C@@H]1C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000055131596 525419062 /nfs/dbraw/zinc/41/90/62/525419062.db2.gz AGIWDHVGEQFZDO-SYQHCUMBSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@@]([NH3+])(C(=O)N[C@@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC000052881184 525746123 /nfs/dbraw/zinc/74/61/23/525746123.db2.gz ILKNOZIYLWLFNG-ZBFHGGJFSA-N 2 0 273.380 1.071 10 0 CDAERP O=C(NCC[NH+]1CCCCC1)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000049575459 526308314 /nfs/dbraw/zinc/30/83/14/526308314.db2.gz HSDNUVMHABMTRJ-SOUVJXGZSA-N 2 0 279.428 1.509 10 0 CDAERP Cc1nc(C[NH2+]C[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000070257402 526887226 /nfs/dbraw/zinc/88/72/26/526887226.db2.gz UCIXEZTYMOSOPU-NSHDSACASA-N 2 0 251.399 1.931 10 0 CDAERP [NH3+]CCCCC[NH+]1CCN(c2ncccc2F)CC1 ZINC000054700363 527174662 /nfs/dbraw/zinc/17/46/62/527174662.db2.gz QHUXXISQKLLNFF-UHFFFAOYSA-N 2 0 266.364 1.472 10 0 CDAERP [NH3+]C[C@H]1CC[C@@H](C[N@@H+]2CCc3sccc3C2)O1 ZINC000052416547 527239527 /nfs/dbraw/zinc/23/95/27/527239527.db2.gz QIINFJQPYDCVIS-NEPJUHHUSA-N 2 0 252.383 1.613 10 0 CDAERP [NH3+][C@H]1CCC[C@@H](C(=O)NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000188736377 527401754 /nfs/dbraw/zinc/40/17/54/527401754.db2.gz DYJIMKQQTPBCDU-DOMZBBRYSA-N 2 0 273.380 1.424 10 0 CDAERP CCN(C)C(=O)CC[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000153534379 529115369 /nfs/dbraw/zinc/11/53/69/529115369.db2.gz SYTAVUBANQZEFT-ZIAGYGMSSA-N 2 0 269.433 1.517 10 0 CDAERP CC(C)[NH+]1CCC(N(C)C(=O)[C@@H]([NH3+])C2CCOCC2)CC1 ZINC000262018651 535151153 /nfs/dbraw/zinc/15/11/53/535151153.db2.gz OPSOOMXFGHIHES-HNNXBMFYSA-N 2 0 297.443 1.072 10 0 CDAERP CCC[N@H+](CC)CCN[C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422819600 535301375 /nfs/dbraw/zinc/30/13/75/535301375.db2.gz INFRHBWZMRDGDA-HUUCEWRRSA-N 2 0 269.433 1.075 10 0 CDAERP CC[NH+](CC)CCCNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105073934 535512271 /nfs/dbraw/zinc/51/22/71/535512271.db2.gz YCTCOKVXDWEQJO-OAHLLOKOSA-N 2 0 296.459 1.598 10 0 CDAERP CC[NH+](CC)CCN[C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261846679 535541638 /nfs/dbraw/zinc/54/16/38/535541638.db2.gz AVKSIYCBLHDNGG-RBSFLKMASA-N 2 0 269.433 1.075 10 0 CDAERP C[NH+](C)CCCCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426409133 535828421 /nfs/dbraw/zinc/82/84/21/535828421.db2.gz FZDFTAAUHPGVBQ-UHFFFAOYSA-N 2 0 283.460 1.957 10 0 CDAERP C[NH+](C)C[C@@H]1CC[N@H+](C[C@](C)(O)c2ccccc2)C1 ZINC000246333611 535944240 /nfs/dbraw/zinc/94/42/40/535944240.db2.gz HASMSLMQBRFIFM-HOCLYGCPSA-N 2 0 262.397 1.778 10 0 CDAERP COC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)nc1 ZINC000228544518 536679465 /nfs/dbraw/zinc/67/94/65/536679465.db2.gz UNGMJIQDXLFZMJ-NWANDNLSSA-N 2 0 289.379 1.427 10 0 CDAERP Cc1nn(C)c2sc([C@@H]3C[NH2+]C[C@H](C[NH3+])C3)cc12 ZINC000757216003 574908329 /nfs/dbraw/zinc/90/83/29/574908329.db2.gz OVHZCGRPNQCXRF-UWVGGRQHSA-N 2 0 264.398 1.595 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=S)NCC[NH+](C)C)[C@H](C)C1 ZINC000741487190 576561540 /nfs/dbraw/zinc/56/15/40/576561540.db2.gz JYYPUDXOCXXION-OLZOCXBDSA-N 2 0 286.489 1.085 10 0 CDAERP CCC[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001689021850 1175084165 /nfs/dbraw/zinc/08/41/65/1175084165.db2.gz KDTFVSSDHXVSLU-UONOGXRCSA-N 2 0 269.433 1.611 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]C(C)(C)C)CC[N@@H+]1C ZINC000896507594 620123761 /nfs/dbraw/zinc/12/37/61/620123761.db2.gz YHFSLAOZOCHKCU-NWDGAFQWSA-N 2 0 255.406 1.221 10 0 CDAERP C[C@@H](C[NH2+]C[C@H](O)CC(C)(C)O)C[NH+]1CCCCC1 ZINC000872201184 620696623 /nfs/dbraw/zinc/69/66/23/620696623.db2.gz SLUVAIJHOFROKI-UONOGXRCSA-N 2 0 272.433 1.220 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]CCCN2CCCCCC2=O)C12CCC2 ZINC000925508432 617396538 /nfs/dbraw/zinc/39/65/38/617396538.db2.gz HBEIWFSWEOAYDW-KGLIPLIRSA-N 2 0 279.428 1.639 10 0 CDAERP C[C@@H]1C[C@H](N[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC[N@@H+]1C ZINC000925514454 617420587 /nfs/dbraw/zinc/42/05/87/617420587.db2.gz FNIAVOONFJPFMH-AAVRWANBSA-N 2 0 253.434 1.965 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]Cc2ccc(C(N)=O)nc2)C1 ZINC000925543924 617487942 /nfs/dbraw/zinc/48/79/42/617487942.db2.gz WYOIRDYKKSGSKX-NWDGAFQWSA-N 2 0 276.384 1.176 10 0 CDAERP CC(C)(C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)C(N)=O ZINC000925601523 617544621 /nfs/dbraw/zinc/54/46/21/617544621.db2.gz LPIQMWQXKUZSKZ-QWHCGFSZSA-N 2 0 267.417 1.256 10 0 CDAERP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925614380 617559793 /nfs/dbraw/zinc/55/97/93/617559793.db2.gz INAJJUFPONORIU-UVLXDEKHSA-N 2 0 264.369 1.951 10 0 CDAERP [NH3+][C@H]1C[C@H]([NH2+]CCc2cnc(C3CC3)nc2)C12CCC2 ZINC000925625223 617572144 /nfs/dbraw/zinc/57/21/44/617572144.db2.gz GZJDESZUPIZULF-KBPBESRZSA-N 2 0 272.396 1.756 10 0 CDAERP Cc1cc(CC[NH2+][C@H]2CC[NH2+]CC[C@H]2C)nn1C ZINC000925836016 617865543 /nfs/dbraw/zinc/86/55/43/617865543.db2.gz ZDOCKGOAYCIMTO-RISCZKNCSA-N 2 0 250.390 1.249 10 0 CDAERP Cc1nccnc1[C@@H](C)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925842616 617874926 /nfs/dbraw/zinc/87/49/26/617874926.db2.gz AJRZTOPSFLMNCV-CQSZACIVSA-N 2 0 291.443 1.511 10 0 CDAERP C([NH2+][C@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)[C@]12C[C@H]1CCC2 ZINC000925880475 617963239 /nfs/dbraw/zinc/96/32/39/617963239.db2.gz LDNSJJALUUTZGI-OWYFMNJBSA-N 2 0 264.413 1.923 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1c2ccccc2CC[C@H]1O ZINC000925888924 617980350 /nfs/dbraw/zinc/98/03/50/617980350.db2.gz HHXGIQVVZLYJNA-IMJJTQAJSA-N 2 0 278.396 1.378 10 0 CDAERP C[N@@H+]1C[C@@H]2CN(CCc3ccns3)C[C@]2(C)C1 ZINC000933733355 617598780 /nfs/dbraw/zinc/59/87/80/617598780.db2.gz CZKCJGNHTKPDHL-YPMHNXCESA-N 2 0 251.399 1.569 10 0 CDAERP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3C[C@@H]4CCC[C@H]4O3)C[C@]2(C)C1 ZINC000933733323 617599294 /nfs/dbraw/zinc/59/92/94/617599294.db2.gz CHTWZDFSWADWDM-NPJQDHAYSA-N 2 0 264.413 1.828 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C ZINC000925772515 617645825 /nfs/dbraw/zinc/64/58/25/617645825.db2.gz IITJRDHIBNRBSL-XNOYWBNFSA-N 2 0 252.402 1.620 10 0 CDAERP CC1(C)CO[C@H](CC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000925776380 617668564 /nfs/dbraw/zinc/66/85/64/617668564.db2.gz XVPFNYLGWKWVSL-LVQVYYBASA-N 2 0 296.455 1.938 10 0 CDAERP CSCc1n[nH]c(C[NH2+][C@H](C)CCCC[NH3+])n1 ZINC000925777607 617674774 /nfs/dbraw/zinc/67/47/74/617674774.db2.gz OWXQTTADNXDJJJ-SECBINFHSA-N 2 0 257.407 1.275 10 0 CDAERP COCC1(C[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)CC[NH2+]CC1 ZINC000925697801 617735656 /nfs/dbraw/zinc/73/56/56/617735656.db2.gz AEQIKDDUAKJVGY-OWCLPIDISA-N 2 0 296.455 1.797 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000925701771 617752811 /nfs/dbraw/zinc/75/28/11/617752811.db2.gz FKUQHIFJPVQNMR-SEBNEYGDSA-N 3 0 265.445 1.693 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@@H]2CCCc3ccccc3C2)CC1 ZINC000925817186 617772531 /nfs/dbraw/zinc/77/25/31/617772531.db2.gz ODHYFWCVHSVQAC-GOSISDBHSA-N 2 0 287.451 1.947 10 0 CDAERP CO[C@H]1C[C@@H](C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000925718340 617839608 /nfs/dbraw/zinc/83/96/08/617839608.db2.gz LAVDDVLLIUWJTP-BJJPWKGXSA-N 2 0 252.402 1.778 10 0 CDAERP C[C@@H]1COCC[C@@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925846890 617881613 /nfs/dbraw/zinc/88/16/13/617881613.db2.gz PVNNKOFRFMFUNF-CABCVRRESA-N 2 0 269.433 1.077 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@]1(C(F)(F)F)CCCN1 ZINC000925852723 617889990 /nfs/dbraw/zinc/88/99/90/617889990.db2.gz GIAYAVURCIJUMG-SRVKXCTJSA-N 2 0 279.350 1.778 10 0 CDAERP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CCS1 ZINC000925854784 617892393 /nfs/dbraw/zinc/89/23/93/617892393.db2.gz AZHSSVLLZDQGSH-ZIIDRAPCSA-N 2 0 252.427 1.857 10 0 CDAERP CCC[C@@H](O)CC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925855061 617893346 /nfs/dbraw/zinc/89/33/46/617893346.db2.gz FZUYJQXLQMZKSS-YIYPIFLZSA-N 2 0 254.418 1.904 10 0 CDAERP C[C@H](CN1CCCC1=O)[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925504932 618173382 /nfs/dbraw/zinc/17/33/82/618173382.db2.gz MXFDTKAYCQSNIM-VNQPRFMTSA-N 2 0 293.455 1.755 10 0 CDAERP CC(C)C(=O)NCC[N@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923373541 618322885 /nfs/dbraw/zinc/32/28/85/618322885.db2.gz ONGVBUIJIWJRIB-GOOCMWNKSA-N 2 0 281.444 1.611 10 0 CDAERP COC(=O)[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+]C2)[C@@H]([C@@H]2CCCO2)C1 ZINC000923555262 618343719 /nfs/dbraw/zinc/34/37/19/618343719.db2.gz SCTQFIOVTZKJIF-TUVASFSCSA-N 2 0 296.411 1.029 10 0 CDAERP CCC[NH2+][C@H](C)C(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000841848537 618719040 /nfs/dbraw/zinc/71/90/40/618719040.db2.gz LIYVTIKKFLNSDK-GFCCVEGCSA-N 2 0 275.396 1.813 10 0 CDAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@]34CC[NH+](C3)CCC4)CC[C@H]21 ZINC000897015682 620346924 /nfs/dbraw/zinc/34/69/24/620346924.db2.gz ACZZUKYDBZZMSF-INMHGKMJSA-N 2 0 291.439 1.415 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CO[C@H](C)[C@@H]1C ZINC000925241857 620611117 /nfs/dbraw/zinc/61/11/17/620611117.db2.gz SYDSDJKMTJNAHQ-REWJHTLYSA-N 2 0 258.406 1.356 10 0 CDAERP C(C1CC1)[NH+]1CCC([NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC000897819521 621142385 /nfs/dbraw/zinc/14/23/85/621142385.db2.gz UIJFFKBLKOZCFS-LEOABGAYSA-N 2 0 262.397 1.626 10 0 CDAERP CCO[C@H](CN[C@@H]1CC[N@H+](C)[C@@H](C)C1)C[NH+](C)C ZINC000926959405 621630138 /nfs/dbraw/zinc/63/01/38/621630138.db2.gz BSDIZDFQLLIBJV-BFHYXJOUSA-N 2 0 257.422 1.025 10 0 CDAERP CCO[C@H](CN[C@H]1CCC[N@@H+]2CCCC[C@H]12)C[NH+](C)C ZINC000926958881 621630725 /nfs/dbraw/zinc/63/07/25/621630725.db2.gz HXUAHVGJMQOEIY-OWCLPIDISA-N 2 0 283.460 1.560 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccnnc2)CC1 ZINC000924670297 621647641 /nfs/dbraw/zinc/64/76/41/621647641.db2.gz MBOSMUOMXHSZRG-KGLIPLIRSA-N 2 0 277.416 1.153 10 0 CDAERP C[NH+](C)CCc1ccc(NC(=O)C23CC[NH+](CC2)C3)cc1 ZINC000900548111 623187433 /nfs/dbraw/zinc/18/74/33/623187433.db2.gz JWFYZOOTIKYFNC-UHFFFAOYSA-N 2 0 287.407 1.825 10 0 CDAERP CC(C)N1CCO[C@@H](C(=[NH2+])NOCCc2ccns2)C1 ZINC000902323997 624684110 /nfs/dbraw/zinc/68/41/10/624684110.db2.gz JTKQWFCFFLGXMT-GFCCVEGCSA-N 2 0 298.412 1.293 10 0 CDAERP C1[C@H]2CCC[C@H]2[C@@H]1[NH2+][C@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000902456844 624842302 /nfs/dbraw/zinc/84/23/02/624842302.db2.gz PZZHITZOMCJXGL-VTMBPIDISA-N 2 0 264.413 1.922 10 0 CDAERP CC[NH+]1CCC([NH2+]CC2(C3(O)CCOCC3)CC2)CC1 ZINC000903354381 625976757 /nfs/dbraw/zinc/97/67/57/625976757.db2.gz UCEYOPNVLZJZRF-UHFFFAOYSA-N 2 0 282.428 1.382 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000903427057 625988918 /nfs/dbraw/zinc/98/89/18/625988918.db2.gz RZUQNEATYNGVQM-OCCSQVGLSA-N 2 0 276.380 1.745 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000903430863 625989777 /nfs/dbraw/zinc/98/97/77/625989777.db2.gz FOQXSFCMMDLKET-VNQPRFMTSA-N 2 0 287.407 1.405 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)C1 ZINC000903438553 625992304 /nfs/dbraw/zinc/99/23/04/625992304.db2.gz YBOHVGUIGKYPAS-RRFJBIMHSA-N 2 0 279.428 1.448 10 0 CDAERP CS(=O)(=O)C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000903458744 625994347 /nfs/dbraw/zinc/99/43/47/625994347.db2.gz IOMDEPXQWNXJCM-SNPRPXQTSA-N 2 0 296.436 1.489 10 0 CDAERP Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]C[C@H]2CCC[NH2+]2)cn1 ZINC000903463627 625996266 /nfs/dbraw/zinc/99/62/66/625996266.db2.gz HDCDMIWCMIMSJR-RRFJBIMHSA-N 2 0 262.401 1.473 10 0 CDAERP CC[NH+](CC)C[C@H]1CCN(C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903444627 625998366 /nfs/dbraw/zinc/99/83/66/625998366.db2.gz SWHFTFLQRNTXGV-KFWWJZLASA-N 2 0 253.434 1.506 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000903446469 625999325 /nfs/dbraw/zinc/99/93/25/625999325.db2.gz WZXFUQZITJATOF-QPSCCSFWSA-N 2 0 251.418 1.306 10 0 CDAERP CCCn1nccc1NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903497261 626011898 /nfs/dbraw/zinc/01/18/98/626011898.db2.gz RTCHIGREWIKUIO-CHWSQXEVSA-N 2 0 293.415 1.148 10 0 CDAERP [NH3+]CCCCCCN1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903542910 626016637 /nfs/dbraw/zinc/01/66/37/626016637.db2.gz ZLEUMORRQZLTIV-GHMZBOCLSA-N 2 0 267.339 1.717 10 0 CDAERP CC(C)(C)OC[C@@H]1CCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000903565036 626020788 /nfs/dbraw/zinc/02/07/88/626020788.db2.gz CVAAHNGQGIXMKK-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP C([C@H]1CCCC[NH2+]C1)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903785199 626093374 /nfs/dbraw/zinc/09/33/74/626093374.db2.gz WIBWCPOLWXHETJ-HOTGVXAUSA-N 2 0 265.445 1.842 10 0 CDAERP C[NH+](C)CCOC1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903892439 626134904 /nfs/dbraw/zinc/13/49/04/626134904.db2.gz IRDSBNNWLIJYFD-MQVJKMGUSA-N 3 0 295.471 1.560 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[NH+](CC2CC2)CC2CC2)cnn1C ZINC000903897006 626136550 /nfs/dbraw/zinc/13/65/50/626136550.db2.gz XQQVYSCKWLITDK-MRXNPFEDSA-N 2 0 290.455 1.968 10 0 CDAERP O=C1C[C@H]([C@@H]2CCCC[N@@H+]2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CN1 ZINC000903899215 626137886 /nfs/dbraw/zinc/13/78/86/626137886.db2.gz RAMHWJMJVNBMCF-PSAQHYCVSA-N 2 0 291.439 1.508 10 0 CDAERP CC[C@@H](C)[N@@H+](CC(=O)OC)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903915467 626138468 /nfs/dbraw/zinc/13/84/68/626138468.db2.gz ZEHXABUSEPVAQS-RLAWYHOSSA-N 2 0 268.401 1.791 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[NH2+]CCCOC(C)C)cnn1C ZINC000903925179 626148458 /nfs/dbraw/zinc/14/84/58/626148458.db2.gz LLHQFIQKVFUTHA-CQSZACIVSA-N 2 0 282.432 1.251 10 0 CDAERP COCC1([NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)CCCC1 ZINC000903933625 626152895 /nfs/dbraw/zinc/15/28/95/626152895.db2.gz UBYLARPBEUZWJM-CYBMUJFWSA-N 2 0 293.415 1.251 10 0 CDAERP C[C@H]1CN(CC[NH2+]C(C)(C)C)CCN1c1cc[nH+]cc1 ZINC000903937430 626155912 /nfs/dbraw/zinc/15/59/12/626155912.db2.gz KSFKHIWQPSHQLW-AWEZNQCLSA-N 2 0 276.428 1.980 10 0 CDAERP COC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@H]1CCCOC1 ZINC000903959176 626159046 /nfs/dbraw/zinc/15/90/46/626159046.db2.gz CQRAZOGDYWMBIS-JKJDWNRSSA-N 2 0 282.428 1.406 10 0 CDAERP COC[C@H]([NH2+]C1CCC([NH3+])CC1)[C@H]1CCCOC1 ZINC000903959695 626159201 /nfs/dbraw/zinc/15/92/01/626159201.db2.gz MNNRZBLYFFBNAH-ABXWRUBCSA-N 2 0 256.390 1.288 10 0 CDAERP C[C@H](C[C@@H]1CCC[NH2+]1)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903970166 626167773 /nfs/dbraw/zinc/16/77/73/626167773.db2.gz RMHFJACKGRBWRF-ILXRZTDVSA-N 2 0 281.444 1.265 10 0 CDAERP [NH2+]=C(NC[C@H]1CCCS1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000905041678 626380909 /nfs/dbraw/zinc/38/09/09/626380909.db2.gz JXKKFOJXUDPRLB-WCQYABFASA-N 2 0 282.457 1.480 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N(CC)[C@H]2CC[NH+](C)C2)C1 ZINC000912307982 629918341 /nfs/dbraw/zinc/91/83/41/629918341.db2.gz VANNUSUETZKXFE-GJZGRUSLSA-N 2 0 281.444 1.661 10 0 CDAERP C[C@H](CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)[NH+](C)C ZINC000912389306 629978701 /nfs/dbraw/zinc/97/87/01/629978701.db2.gz HBDSBKLHZWRADY-MCIONIFRSA-N 2 0 267.417 1.460 10 0 CDAERP C[NH+](C)C1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000913397092 630466290 /nfs/dbraw/zinc/46/62/90/630466290.db2.gz UBHYIKSXTPVFCD-ZDUSSCGKSA-N 2 0 267.417 1.413 10 0 CDAERP O[C@H](C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)C1(O)CCC1 ZINC000929720408 630712452 /nfs/dbraw/zinc/71/24/52/630712452.db2.gz WSKPMEALTAJWBT-HUUCEWRRSA-N 2 0 282.428 1.070 10 0 CDAERP C[C@H]1[C@@H](NC(=O)NCC[NH+](C)C2CCCC2)CC[N@@H+]1C ZINC000916980060 632118763 /nfs/dbraw/zinc/11/87/63/632118763.db2.gz YAUQAGVCDBAAPO-JSGCOSHPSA-N 2 0 282.432 1.253 10 0 CDAERP CCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000920506263 632797852 /nfs/dbraw/zinc/79/78/52/632797852.db2.gz GKCQAVRUIVIXDU-OCCSQVGLSA-N 2 0 282.432 1.253 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cc(-c3cccnc3)n[nH]2)C1 ZINC000655827757 633159397 /nfs/dbraw/zinc/15/93/97/633159397.db2.gz ZMJQQKGUOIUPHH-JNSHFYNHSA-N 2 0 285.395 1.902 10 0 CDAERP CCCCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001690756689 1158768784 /nfs/dbraw/zinc/76/87/84/1158768784.db2.gz XBOOOLXWTMCCFC-HUUCEWRRSA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)COCC[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001691365003 1159035509 /nfs/dbraw/zinc/03/55/09/1159035509.db2.gz LXPPBNCYSMPMSN-OAHLLOKOSA-N 2 0 299.459 1.191 10 0 CDAERP COCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCC[NH+](C)C ZINC001691367177 1159036851 /nfs/dbraw/zinc/03/68/51/1159036851.db2.gz HKEZAVZWSKBJHK-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@@H](C(=O)N(C)CC[NH2+]Cc1ccccc1F)[NH+](C)C ZINC001266987980 1159069649 /nfs/dbraw/zinc/06/96/49/1159069649.db2.gz BPDNJUJVOOFPRP-HNNXBMFYSA-N 2 0 295.402 1.714 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCCC[C@H]1[NH3+])C[NH+]1CCCC1 ZINC000251050177 1159452649 /nfs/dbraw/zinc/45/26/49/1159452649.db2.gz AFFGKKGIBURJFR-HZSPNIEDSA-N 2 0 267.417 1.352 10 0 CDAERP CCCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001481030532 1159486092 /nfs/dbraw/zinc/48/60/92/1159486092.db2.gz IRFQPCQULPPQDZ-LSDHHAIUSA-N 2 0 281.444 1.851 10 0 CDAERP CC(C)[NH2+]C1(CNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001670854627 1160583469 /nfs/dbraw/zinc/58/34/69/1160583469.db2.gz HBOFAHLOXSFOSZ-UHFFFAOYSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)C[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001691541307 1160657310 /nfs/dbraw/zinc/65/73/10/1160657310.db2.gz RFCFEQLFQDDVOM-HDJSIYSDSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@H]1C[N@H+](Cc2nc(N)c3ccccc3n2)CC[C@@H]1C[NH3+] ZINC000923500109 1161545413 /nfs/dbraw/zinc/54/54/13/1161545413.db2.gz UXBRCFSCFXVOEF-NWDGAFQWSA-N 2 0 285.395 1.629 10 0 CDAERP CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001691676490 1161558196 /nfs/dbraw/zinc/55/81/96/1161558196.db2.gz VZSIHQJTYXBARJ-LSDHHAIUSA-N 2 0 281.444 1.757 10 0 CDAERP CC[C@H](C(=O)N[C@]12CCC[C@H]1[N@@H+](C(C)C)CC2)[NH+](C)C ZINC001410922157 1161962109 /nfs/dbraw/zinc/96/21/09/1161962109.db2.gz VTSKTKHNMZQZEQ-FMKPAKJESA-N 2 0 281.444 1.848 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000864064910 1164502060 /nfs/dbraw/zinc/50/20/60/1164502060.db2.gz FGPGYEDKAFQKKW-FRRDWIJNSA-N 2 0 267.417 1.316 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])NCCC2CC2)C1 ZINC000864455987 1164545671 /nfs/dbraw/zinc/54/56/71/1164545671.db2.gz DISRNMRQQPGLIK-CYBMUJFWSA-N 2 0 252.406 1.632 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+]2CCCCC2)CC[N@@H+]1C ZINC000864955654 1164597642 /nfs/dbraw/zinc/59/76/42/1164597642.db2.gz UZDCSSISWOJCBX-QLFBSQMISA-N 2 0 281.444 1.707 10 0 CDAERP CC(=O)NCC1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000865416971 1164644727 /nfs/dbraw/zinc/64/47/27/1164644727.db2.gz SMZMQMOXSNMCCT-BACDZXNISA-N 2 0 293.455 1.898 10 0 CDAERP Cn1ncc2cc(C[NH2+]C[C@@H]3CCC[N@H+](C)C3)cnc21 ZINC000865455538 1164648797 /nfs/dbraw/zinc/64/87/97/1164648797.db2.gz CCQHOXZEQDPMSO-LBPRGKRZSA-N 2 0 273.384 1.400 10 0 CDAERP O=c1[nH]ccc2oc(C[NH2+][C@@H]3CCn4ccnc4C3)cc21 ZINC000865532994 1164659149 /nfs/dbraw/zinc/65/91/49/1164659149.db2.gz TZKRXSWAEXTIKK-SNVBAGLBSA-N 2 0 284.319 1.835 10 0 CDAERP O[C@H](C[NH2+][C@@H](C1CCC1)[C@@H]1CCCO1)C[NH+]1CCCC1 ZINC000866240759 1164756649 /nfs/dbraw/zinc/75/66/49/1164756649.db2.gz MVYIEVVXDSEIRJ-PMPSAXMXSA-N 2 0 282.428 1.380 10 0 CDAERP CCN1CC[C@H]([N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)C1=O ZINC000866708994 1164813741 /nfs/dbraw/zinc/81/37/41/1164813741.db2.gz UIHFVOUZCQONGI-WFASDCNBSA-N 2 0 267.417 1.304 10 0 CDAERP CC(C)C[N@H+](C[C@@H]1CC[NH2+]C1)CC1CC[NH+](C)CC1 ZINC000866718089 1164814298 /nfs/dbraw/zinc/81/42/98/1164814298.db2.gz WFTJIUNOROEEOH-MRXNPFEDSA-N 3 0 267.461 1.896 10 0 CDAERP C[C@H]1CCC[C@@](CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)([NH+](C)C)C1 ZINC000870871763 1165224873 /nfs/dbraw/zinc/22/48/73/1165224873.db2.gz MQRXWQHGGYQIAH-NHMCJKAESA-N 2 0 293.455 1.741 10 0 CDAERP CC[N@@H+]1CCCN(C(=O)C2([NH+](C)C)CCCC2)CC1 ZINC001627236246 1165985141 /nfs/dbraw/zinc/98/51/41/1165985141.db2.gz KVPKTNLCFSXPBE-UHFFFAOYSA-N 2 0 267.417 1.415 10 0 CDAERP C[NH+](C)C1(C(=O)N2CC[C@@H]([NH+]3CCC3)C2)CCCC1 ZINC001633493353 1166426652 /nfs/dbraw/zinc/42/66/52/1166426652.db2.gz KVXVJNKCZMFROQ-CYBMUJFWSA-N 2 0 265.401 1.167 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCOCC)C1 ZINC001566792417 1168425091 /nfs/dbraw/zinc/42/50/91/1168425091.db2.gz KSDRLCKCAYZJDB-RBSFLKMASA-N 2 0 297.443 1.134 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)[C@H]1CCCC[C@H]1[NH3+])c1ccsc1 ZINC001647249052 1168490484 /nfs/dbraw/zinc/49/04/84/1168490484.db2.gz OOXDQCPCZCEHQG-BFHYXJOUSA-N 2 0 295.452 1.985 10 0 CDAERP CCCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001567134953 1168590105 /nfs/dbraw/zinc/59/01/05/1168590105.db2.gz AZJZMDIPKUTYEB-ZIAGYGMSSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NC[C@@H](C3CC3)[NH+](C)C)C[N@@H+]2C1 ZINC001649284315 1169169149 /nfs/dbraw/zinc/16/91/49/1169169149.db2.gz MRGHBHMORYFWMB-OJLVUWQFSA-N 2 0 293.455 1.563 10 0 CDAERP CC(C)[NH2+]CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001568678287 1169427372 /nfs/dbraw/zinc/42/73/72/1169427372.db2.gz NZQBEYXEEBVTDV-OLZOCXBDSA-N 2 0 255.406 1.221 10 0 CDAERP C[C@@H](C[NH2+]CCC(F)(F)F)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001569064250 1169626129 /nfs/dbraw/zinc/62/61/29/1169626129.db2.gz BECIATGNSBMPCL-QWRGUYRKSA-N 2 0 295.349 1.517 10 0 CDAERP CC(C)[NH2+]CC1CC(NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001570563858 1170190240 /nfs/dbraw/zinc/19/02/40/1170190240.db2.gz FNFKGUKIFMOZGA-UHFFFAOYSA-N 2 0 267.417 1.364 10 0 CDAERP CCCC[C@H](C[NH2+]CCF)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001570809845 1170285451 /nfs/dbraw/zinc/28/54/51/1170285451.db2.gz DOLCJUYRZSVBEV-MGPQQGTHSA-N 2 0 287.423 1.561 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCCF)C[C@H]1C ZINC001671251549 1171157929 /nfs/dbraw/zinc/15/79/29/1171157929.db2.gz LBBLCAQHLMLNRF-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)CCC[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001663009785 1172627204 /nfs/dbraw/zinc/62/72/04/1172627204.db2.gz YFELZPCMHIOBDD-CABCVRRESA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)[C@H](C)CC[NH+](C)C)CC1 ZINC001587334965 1172982447 /nfs/dbraw/zinc/98/24/47/1172982447.db2.gz KENAORCCXOMUSI-CYBMUJFWSA-N 2 0 269.433 1.563 10 0 CDAERP CC/C=C\CC[NH+]1CC(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001665350444 1172983276 /nfs/dbraw/zinc/98/32/76/1172983276.db2.gz NJTVIYIAMLGATH-PTZVLDCSSA-N 2 0 295.471 1.977 10 0 CDAERP CCCCNC(=O)CC[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000081095063 1173015195 /nfs/dbraw/zinc/01/51/95/1173015195.db2.gz KTSYXGOVBZRDTE-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CCCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001668821318 1173469134 /nfs/dbraw/zinc/46/91/34/1173469134.db2.gz MWIRQWGYIPPHJO-XHPSBEMXSA-N 2 0 281.444 1.921 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CCF ZINC001669075467 1173503088 /nfs/dbraw/zinc/50/30/88/1173503088.db2.gz RICKSEHVIWZXDR-ISZGNANSSA-N 2 0 285.407 1.481 10 0 CDAERP O=C(NC[C@H]1C[C@H]([NH2+]CCCF)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC001688949759 1175075298 /nfs/dbraw/zinc/07/52/98/1175075298.db2.gz IWEVVZHIWWCWNI-DZKIICNBSA-N 2 0 297.418 1.316 10 0 CDAERP CC(C)CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001690276995 1175421736 /nfs/dbraw/zinc/42/17/36/1175421736.db2.gz XSQVWJBAQAVLPZ-KLHDSHLOSA-N 2 0 295.471 2.000 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH2+]CCCF)C2)CC[N@@H+]1C ZINC001690405783 1175463527 /nfs/dbraw/zinc/46/35/27/1175463527.db2.gz PMXOGNTXXVKLDA-QLFBSQMISA-N 2 0 299.434 1.514 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCCCCF)C1 ZINC001690730780 1175557122 /nfs/dbraw/zinc/55/71/22/1175557122.db2.gz UDUFMZBVNNLYKW-HUUCEWRRSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001698729901 1175906396 /nfs/dbraw/zinc/90/63/96/1175906396.db2.gz FRBUDLXLEBUUPT-BZUAXINKSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@@H](C[NH2+]CCC1CC1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001698841946 1175959458 /nfs/dbraw/zinc/95/94/58/1175959458.db2.gz XQLOUEZGLKKAFB-ZDUSSCGKSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1C[NH2+]CCC1CC1 ZINC001698950510 1175994205 /nfs/dbraw/zinc/99/42/05/1175994205.db2.gz TWKHVJQWPCAKCO-GDBMZVCRSA-N 2 0 295.471 1.955 10 0 CDAERP CCN(CC[NH2+]CCC(C)(C)C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001699217966 1176145682 /nfs/dbraw/zinc/14/56/82/1176145682.db2.gz YKBVVCRDRUWOFQ-CQSZACIVSA-N 2 0 283.460 1.812 10 0 CDAERP CN(CCC[NH2+]Cc1ccccc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001699550771 1176471758 /nfs/dbraw/zinc/47/17/58/1176471758.db2.gz LAMCAEUAPHZOHR-MRXNPFEDSA-N 2 0 289.423 1.576 10 0 CDAERP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C[NH2+]CCF ZINC001699974097 1176703322 /nfs/dbraw/zinc/70/33/22/1176703322.db2.gz YEAXHCVAFWGTOZ-KGLIPLIRSA-N 2 0 287.423 1.372 10 0 CDAERP CC/C=C\CC[NH2+][C@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001700793854 1177136245 /nfs/dbraw/zinc/13/62/45/1177136245.db2.gz BKBCZMDGFUHFJD-IYKSTZQJSA-N 2 0 293.455 1.875 10 0 CDAERP CC/C=C\CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001723498787 1178126846 /nfs/dbraw/zinc/12/68/46/1178126846.db2.gz ANKFWQLKALTNCO-WSNITJDQSA-N 2 0 279.428 1.675 10 0 CDAERP CCC[NH2+]C[C@]1(C)CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001724255835 1178171518 /nfs/dbraw/zinc/17/15/18/1178171518.db2.gz ZHIDWABFKSEKGI-KRWDZBQOSA-N 2 0 295.471 1.957 10 0 CDAERP COC1CC([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000234711475 1178222982 /nfs/dbraw/zinc/22/29/82/1178222982.db2.gz YIBFBZKSJCLZCN-UHFFFAOYSA-N 2 0 261.369 1.817 10 0 CDAERP CC[C@H](F)C[N@H+](CC)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001713009353 1178300301 /nfs/dbraw/zinc/30/03/01/1178300301.db2.gz XVKLEEUUOKRUJX-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001713245066 1178449426 /nfs/dbraw/zinc/44/94/26/1178449426.db2.gz CBXDWXQZWMXUDS-GJZGRUSLSA-N 2 0 281.444 1.566 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001713352760 1178515569 /nfs/dbraw/zinc/51/55/69/1178515569.db2.gz DYZDQCAPZGGHRY-KGLIPLIRSA-N 2 0 299.434 1.514 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001713362859 1178520837 /nfs/dbraw/zinc/52/08/37/1178520837.db2.gz HUMNLKPNZDSCJX-KBPBESRZSA-N 2 0 267.417 1.176 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CCNC(=O)CC[NH+](C)C ZINC001713416321 1178549243 /nfs/dbraw/zinc/54/92/43/1178549243.db2.gz SKNHJEIEBPFIMC-ZDUSSCGKSA-N 2 0 255.406 1.389 10 0 CDAERP COCCCC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001713520012 1178620712 /nfs/dbraw/zinc/62/07/12/1178620712.db2.gz LWFFXCBUJRRJIA-OAHLLOKOSA-N 2 0 297.443 1.089 10 0 CDAERP CCOCC[NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001713592303 1178673923 /nfs/dbraw/zinc/67/39/23/1178673923.db2.gz QBPYDLROCOSTLC-UHFFFAOYSA-N 2 0 299.459 1.335 10 0 CDAERP CN(CC[NH2+]CC1CC(C)(C)C1)C(=O)CCC[NH+](C)C ZINC001713628064 1178687754 /nfs/dbraw/zinc/68/77/54/1178687754.db2.gz GZNMYUKGADVKLZ-UHFFFAOYSA-N 2 0 283.460 1.812 10 0 CDAERP CN(CC[NH2+]CCC1CCCC1)C(=O)C[NH+]1CCCC1 ZINC001713664125 1178701538 /nfs/dbraw/zinc/70/15/38/1178701538.db2.gz HMPLGMDJHXKSPP-UHFFFAOYSA-N 2 0 281.444 1.711 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001714016865 1178928354 /nfs/dbraw/zinc/92/83/54/1178928354.db2.gz DBQAGCHKPZOEGY-UXLLHSPISA-N 2 0 291.439 1.675 10 0 CDAERP C[NH+](C)CCCC(=O)N1CCC[C@H](C[NH2+]CCC2CC2)C1 ZINC001714081194 1178965168 /nfs/dbraw/zinc/96/51/68/1178965168.db2.gz RXVBUGRQIPQBKN-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC[C@H](CC[NH2+]CCF)C1 ZINC001714236666 1179038447 /nfs/dbraw/zinc/03/84/47/1179038447.db2.gz VQTIJSMJFGEPTF-CQSZACIVSA-N 2 0 287.423 1.516 10 0 CDAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CCF ZINC001714391825 1179120830 /nfs/dbraw/zinc/12/08/30/1179120830.db2.gz WQNKRWMJUSXAEH-CHWSQXEVSA-N 2 0 273.396 1.171 10 0 CDAERP CC(C)[NH2+]C[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001714420544 1179131020 /nfs/dbraw/zinc/13/10/20/1179131020.db2.gz UWFNKOBLTDPEBU-ZDUSSCGKSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C[NH2+]CCC1CC1 ZINC001714423002 1179132395 /nfs/dbraw/zinc/13/23/95/1179132395.db2.gz NBCUXDJVKJAMAN-DZKIICNBSA-N 2 0 295.471 1.859 10 0 CDAERP CC/C=C/CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001714450055 1179145064 /nfs/dbraw/zinc/14/50/64/1179145064.db2.gz HRFOMNPUXBEMKN-WHJWBVKISA-N 2 0 281.444 1.636 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]C(C)C ZINC001715061148 1179534854 /nfs/dbraw/zinc/53/48/54/1179534854.db2.gz QFLOZGYNTWYYBP-KBPBESRZSA-N 2 0 269.433 1.754 10 0 CDAERP C[C@H](C[NH2+]CCC1CC1)N(C)C(=O)CC[NH+](C)C ZINC001715352674 1179638004 /nfs/dbraw/zinc/63/80/04/1179638004.db2.gz IOEXZSDIRZRSBB-GFCCVEGCSA-N 2 0 255.406 1.175 10 0 CDAERP C[C@H](C[NH2+]CCC(F)(F)F)N(C)C(=O)C[NH+]1CCCC1 ZINC001715375409 1179647866 /nfs/dbraw/zinc/64/78/66/1179647866.db2.gz NEICIYAQIGGFLI-LLVKDONJSA-N 2 0 295.349 1.471 10 0 CDAERP CC(C)[C@H](CNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH2+]CCCF ZINC001715503320 1179686295 /nfs/dbraw/zinc/68/62/95/1179686295.db2.gz CXRSARFXCFTRFB-HOCLYGCPSA-N 2 0 299.434 1.562 10 0 CDAERP C[C@H](CC[NH2+]CCC1CC1)NC(=O)C1CC[NH+](C)CC1 ZINC001715678669 1179761548 /nfs/dbraw/zinc/76/15/48/1179761548.db2.gz LKPKJLZMAXDFFJ-CYBMUJFWSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@H](C)C[NH2+]CC[C@H](C)NC(=O)Cc1c[nH]cn1 ZINC001716177044 1180084352 /nfs/dbraw/zinc/08/43/52/1180084352.db2.gz SZSNUXZSOTVEBK-RYUDHWBXSA-N 2 0 266.389 1.483 10 0 CDAERP Cc1cnc(C[NH2+]CC[C@@H](C)NC(=O)C[NH+]2CCCC2)o1 ZINC001716196996 1180092968 /nfs/dbraw/zinc/09/29/68/1180092968.db2.gz WCOTTXYGHDSJOM-GFCCVEGCSA-N 2 0 294.399 1.063 10 0 CDAERP CCC[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001716333654 1180159285 /nfs/dbraw/zinc/15/92/85/1180159285.db2.gz CENISQGBPDUXLW-NFAHFFEMSA-N 2 0 281.444 1.780 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+]CC2CC(C)(C)C2)C1 ZINC001716376325 1180174148 /nfs/dbraw/zinc/17/41/48/1180174148.db2.gz WQTLGZKSOWQMKB-XVWMLYKFSA-N 2 0 293.455 1.636 10 0 CDAERP CC(C)[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001716449946 1180216698 /nfs/dbraw/zinc/21/66/98/1180216698.db2.gz GKJWKTIWFZERIA-AVGNSLFASA-N 2 0 255.406 1.219 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]CCCF)CC1 ZINC001716458149 1180222337 /nfs/dbraw/zinc/22/23/37/1180222337.db2.gz GSVUBLKIABCQOP-ZDUSSCGKSA-N 2 0 287.423 1.561 10 0 CDAERP CCCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001716479959 1180242377 /nfs/dbraw/zinc/24/23/77/1180242377.db2.gz KDIOVERMXMTINK-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP COCC[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001716682636 1180366017 /nfs/dbraw/zinc/36/60/17/1180366017.db2.gz RNZRJJFQCIOHDU-UHFFFAOYSA-N 2 0 297.443 1.136 10 0 CDAERP CCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001716970601 1180485944 /nfs/dbraw/zinc/48/59/44/1180485944.db2.gz YGZJVEBGULBDLW-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001717004758 1180498946 /nfs/dbraw/zinc/49/89/46/1180498946.db2.gz ZGCXXBORZQJJLK-BZUAXINKSA-N 2 0 295.471 1.860 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@H](CC[NH2+]CC(C)C)C1 ZINC001717105602 1180531501 /nfs/dbraw/zinc/53/15/01/1180531501.db2.gz XAZKIHGTOXGBPG-HNNXBMFYSA-N 2 0 283.460 1.812 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@@H](CC[NH2+]CC(C)C)C1 ZINC001717105603 1180532025 /nfs/dbraw/zinc/53/20/25/1180532025.db2.gz XAZKIHGTOXGBPG-OAHLLOKOSA-N 2 0 283.460 1.812 10 0 CDAERP CCC[N@H+](C)CCCN(C)C(=O)C[NH+](C)C(C)C ZINC001717215844 1180580446 /nfs/dbraw/zinc/58/04/46/1180580446.db2.gz YRVOTIMLXUNKEB-UHFFFAOYSA-N 2 0 257.422 1.517 10 0 CDAERP CCCCC[NH2+][C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001717284669 1180603015 /nfs/dbraw/zinc/60/30/15/1180603015.db2.gz TUTPBKSIRRTRBN-GJZGRUSLSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[NH2+][C@@H](C)[C@@H](C)NC(=O)CCCC[NH+](C)C ZINC001717434501 1180669683 /nfs/dbraw/zinc/66/96/83/1180669683.db2.gz GZIUPZQBNHKNIG-QWHCGFSZSA-N 2 0 257.422 1.610 10 0 CDAERP COCCC[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC000173558085 1181341327 /nfs/dbraw/zinc/34/13/27/1181341327.db2.gz DMPJMVHFTKELPP-OAHLLOKOSA-N 2 0 299.459 1.334 10 0 CDAERP CN(CCC[NH2+]Cc1cncs1)C(=O)C[NH+]1CCCC1 ZINC001723193809 1181526233 /nfs/dbraw/zinc/52/62/33/1181526233.db2.gz DLRDARHLVRMPPN-UHFFFAOYSA-N 2 0 296.440 1.177 10 0 CDAERP CC[C@@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@@H]1[NH2+]CCOC ZINC001723385285 1181545863 /nfs/dbraw/zinc/54/58/63/1181545863.db2.gz LVIDEUNHMBDAST-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP CC1CC(C[N@@H+]2CC[C@H]2CNC(=O)CC[NH+](C)C)C1 ZINC001723454497 1181568063 /nfs/dbraw/zinc/56/80/63/1181568063.db2.gz ZDWSYIURDWVQMX-RUXDESIVSA-N 2 0 267.417 1.175 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1([NH2+]CCCF)CC1 ZINC001723523943 1181582558 /nfs/dbraw/zinc/58/25/58/1181582558.db2.gz OHKGVPSYDWJVOD-ZDUSSCGKSA-N 2 0 285.407 1.459 10 0 CDAERP CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+](C)C(C)C ZINC001724648171 1181715462 /nfs/dbraw/zinc/71/54/62/1181715462.db2.gz JIBXWNKVHCCRAC-KBPBESRZSA-N 2 0 267.417 1.412 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CC2CC2)CC1 ZINC001724839884 1181770052 /nfs/dbraw/zinc/77/00/52/1181770052.db2.gz BZERSBUKNOIYKG-AWEZNQCLSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)[NH2+][C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001724942920 1181802688 /nfs/dbraw/zinc/80/26/88/1181802688.db2.gz FLNUIPNUYZCLKE-KBPBESRZSA-N 2 0 269.433 1.563 10 0 CDAERP C[C@H](C(=O)NCC[C@H](C)[NH2+]CCCO)[NH+]1CCCCCC1 ZINC001725008563 1181822037 /nfs/dbraw/zinc/82/20/37/1181822037.db2.gz UUZXKHLJMZJTGS-LSDHHAIUSA-N 2 0 299.459 1.118 10 0 CDAERP CCCC[C@@H](C[NH2+]CC)NC(=O)C12CC[NH+](CC1)C2 ZINC001725234168 1181929826 /nfs/dbraw/zinc/92/98/26/1181929826.db2.gz LVTVKFFFFOEABT-ZDUSSCGKSA-N 2 0 267.417 1.367 10 0 CDAERP CC(C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001725322847 1181962915 /nfs/dbraw/zinc/96/29/15/1181962915.db2.gz QZCPQEDDZPQIJB-QKDCVEJESA-N 2 0 281.444 1.421 10 0 CDAERP CCCCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001725565805 1182052807 /nfs/dbraw/zinc/05/28/07/1182052807.db2.gz JVMTXQIJLRHJOP-KGLIPLIRSA-N 2 0 269.433 1.707 10 0 CDAERP CC[N@H+](C)CCCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001731251828 1182275335 /nfs/dbraw/zinc/27/53/35/1182275335.db2.gz GQYPAQHWGCKEOD-UHFFFAOYSA-N 2 0 287.367 1.339 10 0 CDAERP C[C@@H](O)C[N@@H+]1CCCC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001731543508 1182443184 /nfs/dbraw/zinc/44/31/84/1182443184.db2.gz SNJFPWFXUCJSRX-CABCVRRESA-N 2 0 299.459 1.070 10 0 CDAERP CC/C=C/CC[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001731638325 1182495628 /nfs/dbraw/zinc/49/56/28/1182495628.db2.gz XQBICKUDCGDYBM-QAMKJQMISA-N 2 0 267.417 1.389 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001731669809 1182510675 /nfs/dbraw/zinc/51/06/75/1182510675.db2.gz WJTOMPWPJSVGEU-ZDUSSCGKSA-N 2 0 255.406 1.032 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1CCF ZINC001731743809 1182545582 /nfs/dbraw/zinc/54/55/82/1182545582.db2.gz CICCOICIAQWXOO-KBPBESRZSA-N 2 0 285.407 1.411 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CC1CCCC1 ZINC001731767213 1182559627 /nfs/dbraw/zinc/55/96/27/1182559627.db2.gz VCNOHVRYPCHTBX-AWEZNQCLSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@H]1C[NH2+]CCF ZINC001732549188 1183004999 /nfs/dbraw/zinc/00/49/99/1183004999.db2.gz VDUYYYGCODTXET-KBPBESRZSA-N 2 0 285.407 1.268 10 0 CDAERP CC(C)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001732753770 1183109630 /nfs/dbraw/zinc/10/96/30/1183109630.db2.gz OGSDTMPCBOTVTF-CHWSQXEVSA-N 2 0 255.406 1.079 10 0 CDAERP C[C@H](C[NH2+]C/C=C/c1ccccc1)NC(=O)CC[NH+](C)C ZINC001732968644 1183210165 /nfs/dbraw/zinc/21/01/65/1183210165.db2.gz LPOLOZOREJNGAU-JOZWUWCOSA-N 2 0 289.423 1.746 10 0 CDAERP CC/C=C/CC[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001733069909 1183276876 /nfs/dbraw/zinc/27/68/76/1183276876.db2.gz ZXQNYUFLTNCKDH-LLYBFZRZSA-N 2 0 281.444 1.875 10 0 CDAERP CC(C)CC[NH2+]C[C@H](NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001733181006 1183319794 /nfs/dbraw/zinc/31/97/94/1183319794.db2.gz MZVUUBXJCIOCOZ-INIZCTEOSA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)OCC[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCC1 ZINC001733727832 1183511457 /nfs/dbraw/zinc/51/14/57/1183511457.db2.gz YXWIHXHTUGKPGK-UHFFFAOYSA-N 2 0 297.443 1.136 10 0 CDAERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]CCC1CC1 ZINC001734002562 1183609762 /nfs/dbraw/zinc/60/97/62/1183609762.db2.gz LXNFXYKAYSGXOH-QWHCGFSZSA-N 2 0 267.417 1.365 10 0 CDAERP CCCC[C@@H](C[NH2+]C(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001734098225 1183657885 /nfs/dbraw/zinc/65/78/85/1183657885.db2.gz WDHRUTYQAVZYBK-KBPBESRZSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C[NH2+]CCF)C1CC1 ZINC001734307604 1183722450 /nfs/dbraw/zinc/72/24/50/1183722450.db2.gz AZAHWNWSHXRMEA-CYBMUJFWSA-N 2 0 273.396 1.123 10 0 CDAERP [NH3+][C@@H]1CCc2ncc(NC(=O)[C@@H]3CCCC[C@H]3[NH3+])cc2C1 ZINC001771750615 1186857980 /nfs/dbraw/zinc/85/79/80/1186857980.db2.gz PRXNUUBCLAACHZ-MRVWCRGKSA-N 2 0 288.395 1.354 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)[C@@H]1CC[C@H]2C[C@@H](C)C[N@@H+]2C1 ZINC001772441052 1187232813 /nfs/dbraw/zinc/23/28/13/1187232813.db2.gz KFPGXNRWDUKCFA-WCVJEAGWSA-N 2 0 295.471 1.809 10 0 CDAERP O=S1(=O)CCC[C@@H]1CC[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000714331774 783612822 /nfs/dbraw/zinc/61/28/22/783612822.db2.gz UCHFUOSNNPFNQR-HZSPNIEDSA-N 2 0 286.441 1.170 10 0 CDAERP CC[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1cnn(C)c1 ZINC000925846897 783667355 /nfs/dbraw/zinc/66/73/55/783667355.db2.gz VFABGTYTJCNGAG-INIZCTEOSA-N 2 0 293.459 1.536 10 0 CDAERP CN1C[C@H](CC[NH2+][C@@H]2CCCCC[C@H]2[NH3+])CC1=O ZINC000925807821 783829659 /nfs/dbraw/zinc/82/96/59/783829659.db2.gz DDYWMAOQLBEYCL-JHJVBQTASA-N 2 0 253.390 1.104 10 0 CDAERP CCC(=O)CC[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000190219844 783838414 /nfs/dbraw/zinc/83/84/14/783838414.db2.gz REKSNCYDMUTGIM-CYBMUJFWSA-N 2 0 270.417 1.380 10 0 CDAERP Cc1cccc(OC[C@H](O)C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC000923490179 783990265 /nfs/dbraw/zinc/99/02/65/783990265.db2.gz BQQDNURPVNLXAA-BZUAXINKSA-N 2 0 292.423 1.651 10 0 CDAERP O=C(CCC12CC(C1)C[NH2+]2)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000870852672 784032377 /nfs/dbraw/zinc/03/23/77/784032377.db2.gz KADQYYFPKDVQEW-GWUWNPHMSA-N 2 0 291.439 1.509 10 0 CDAERP COC[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000832738023 784042287 /nfs/dbraw/zinc/04/22/87/784042287.db2.gz DGSRHQICKBAUOT-CABCVRRESA-N 2 0 270.417 1.192 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)NCC[NH2+]C1CCCCCC1 ZINC000193170802 784062881 /nfs/dbraw/zinc/06/28/81/784062881.db2.gz MVCOQJPUEKFHLW-GFCCVEGCSA-N 2 0 255.406 1.542 10 0 CDAERP CC(C)[C@@H]1COCC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000924752518 784240431 /nfs/dbraw/zinc/24/04/31/784240431.db2.gz BESHMNMHIKSLFN-QLFBSQMISA-N 2 0 270.417 1.094 10 0 CDAERP Cc1noc(C)c1C[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000852744533 784259296 /nfs/dbraw/zinc/25/92/96/784259296.db2.gz CVTWOPSLZPPMTB-GFCCVEGCSA-N 2 0 265.357 1.244 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H](CCO)Cc2ccccc2)C12CCC2 ZINC000925661988 784297300 /nfs/dbraw/zinc/29/73/00/784297300.db2.gz GJXFSRGRTLAVEB-ARFHVFGLSA-N 2 0 274.408 1.840 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000925827323 784308936 /nfs/dbraw/zinc/30/89/36/784308936.db2.gz NDPNDXFURQJBCR-VNQPRFMTSA-N 2 0 276.428 1.662 10 0 CDAERP CCN1C[C@@H](CN2CC[C@H](C[NH+]3CCCC3)C2)OC1=O ZINC000846808184 784359338 /nfs/dbraw/zinc/35/93/38/784359338.db2.gz WWWBNRSWDMUGEI-ZIAGYGMSSA-N 2 0 281.400 1.245 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925510137 784439991 /nfs/dbraw/zinc/43/99/91/784439991.db2.gz SNMFCCMDPWNMMT-KBXIAJHMSA-N 2 0 265.445 1.837 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711350243 784517401 /nfs/dbraw/zinc/51/74/01/784517401.db2.gz HZBKPRZZMZWQCM-LBPRGKRZSA-N 2 0 255.406 1.032 10 0 CDAERP C[NH+](C)C1(CN[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CCOCC1 ZINC000925488178 784537602 /nfs/dbraw/zinc/53/76/02/784537602.db2.gz HJRYESZRELJLFE-ZIAGYGMSSA-N 2 0 283.460 1.593 10 0 CDAERP C[N@@H+]1CCC[C@H]1CC[NH2+][C@]12C[C@H]1COC21CCC1 ZINC000933388736 784590468 /nfs/dbraw/zinc/59/04/68/784590468.db2.gz KQXLBNLTBNMFOJ-KCQAQPDRSA-N 2 0 250.386 1.772 10 0 CDAERP C[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2F)CC[C@H]1C[NH3+] ZINC000923490258 784598399 /nfs/dbraw/zinc/59/83/99/784598399.db2.gz CDZBFVLIVADHRM-ZETOZRRWSA-N 2 0 284.350 1.915 10 0 CDAERP CN(C[C@@H](O)C[NH+]1CCCC1)C1(C[NH3+])CCCCC1 ZINC000312044794 784627806 /nfs/dbraw/zinc/62/78/06/784627806.db2.gz YKHYQIUCFQLXGW-CQSZACIVSA-N 2 0 269.433 1.037 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)/C=C\[C@H]1CCC[NH2+]C1)C2 ZINC000872263518 784690718 /nfs/dbraw/zinc/69/07/18/784690718.db2.gz FZLJGECOWZKDDE-MLFKAMMBSA-N 2 0 277.412 1.000 10 0 CDAERP CN(C[C@H](O)C[NH2+]CC[C@@H]1C[C@H]1C1CC1)C1CC1 ZINC000712698956 784715902 /nfs/dbraw/zinc/71/59/02/784715902.db2.gz ZPBFJDYIATWGHB-YUELXQCFSA-N 2 0 252.402 1.467 10 0 CDAERP Cn1nnc2c1C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)CC2 ZINC000922992454 784741552 /nfs/dbraw/zinc/74/15/52/784741552.db2.gz PTBSKSLTDQTYNZ-NEPJUHHUSA-N 2 0 277.416 1.135 10 0 CDAERP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1NC1CC[NH+](C3CC3)CC1)[NH2+]2 ZINC000709473934 784805779 /nfs/dbraw/zinc/80/57/79/784805779.db2.gz HDPUSPJAUGAJFN-YUDUHTQSSA-N 2 0 263.429 1.732 10 0 CDAERP CCC[N@H+](C[C@@H]1C[C@H]2COC[C@H]2O1)C1CC[NH2+]CC1 ZINC000724577520 784811771 /nfs/dbraw/zinc/81/17/71/784811771.db2.gz LHHOTGZBNKYMBO-AEGPPILISA-N 2 0 268.401 1.254 10 0 CDAERP c1nn(-c2ccccc2)nc1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000841073310 784824249 /nfs/dbraw/zinc/82/42/49/784824249.db2.gz RFKKYPFGUXUAMB-AWEZNQCLSA-N 2 0 285.395 1.889 10 0 CDAERP [NH3+][C@@H](C(=O)N1CC[C@H]([NH3+])C1)c1cccc(Br)c1 ZINC000870934493 784827625 /nfs/dbraw/zinc/82/76/25/784827625.db2.gz PKKLCCYVLPROPZ-WDEREUQCSA-N 2 0 298.184 1.009 10 0 CDAERP [NH3+]C[C@H]1CCCc2ccc(C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)cc21 ZINC000852832881 784845822 /nfs/dbraw/zinc/84/58/22/784845822.db2.gz HNJQRZJKEGXGBJ-INMHGKMJSA-N 2 0 299.418 1.499 10 0 CDAERP CCCCOC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723909696 784847842 /nfs/dbraw/zinc/84/78/42/784847842.db2.gz PCJUHUYMELDZIV-MCIONIFRSA-N 2 0 258.406 1.081 10 0 CDAERP Cc1nccn1CCCC[N@@H+]1[C@H](C)CC[C@H](C(N)=O)[C@@H]1C ZINC000930909608 784848135 /nfs/dbraw/zinc/84/81/35/784848135.db2.gz RFNZEDZBPNKNMM-IPYPFGDCSA-N 2 0 292.427 1.946 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000868379992 784873018 /nfs/dbraw/zinc/87/30/18/784873018.db2.gz HUUVCNFAEUGZAB-CABCVRRESA-N 2 0 296.459 1.454 10 0 CDAERP CCc1cc(N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)nc(C)n1 ZINC000252842165 784876717 /nfs/dbraw/zinc/87/67/17/784876717.db2.gz CMJMOOVNEBZPEZ-UBHSHLNASA-N 2 0 260.385 1.911 10 0 CDAERP CC(C)[C@H]1COCC[C@H]1[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000924954092 784926496 /nfs/dbraw/zinc/92/64/96/784926496.db2.gz UVPVXRFESWMHSP-BRWVUGGUSA-N 2 0 297.487 1.521 10 0 CDAERP CCc1onc(C)c1C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000925890780 784933034 /nfs/dbraw/zinc/93/30/34/784933034.db2.gz RJCLYNNHILAQOX-JIMOISOXSA-N 2 0 267.373 1.387 10 0 CDAERP COc1cccc([C@H](C)[NH2+]C[C@@H]2CC3(C[NH2+]C3)CO2)c1 ZINC000923388609 785046074 /nfs/dbraw/zinc/04/60/74/785046074.db2.gz PZEWHDMQHDJMJG-WFASDCNBSA-N 2 0 276.380 1.724 10 0 CDAERP O=C1O[C@H](C[NH2+]C2CCC3(CC3)CC2)CC12CC[NH2+]CC2 ZINC000925849030 785330469 /nfs/dbraw/zinc/33/04/69/785330469.db2.gz GKMAHXBLGHCTSN-AWEZNQCLSA-N 2 0 292.423 1.984 10 0 CDAERP COc1cccc(C[C@@H](C)[NH2+]CCN2CCC([NH3+])CC2)n1 ZINC000925813022 785397428 /nfs/dbraw/zinc/39/74/28/785397428.db2.gz QUNMIOSGCBUNKM-CYBMUJFWSA-N 2 0 292.427 1.034 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000848721367 785435072 /nfs/dbraw/zinc/43/50/72/785435072.db2.gz JFHCTDWYPBEWRU-ZYHUDNBSSA-N 2 0 255.362 1.077 10 0 CDAERP C[C@H]([NH2+]C[C@H]1COCCN1C)c1cccc(C[NH+](C)C)c1 ZINC000926759459 785615591 /nfs/dbraw/zinc/61/55/91/785615591.db2.gz FOAMEVOGJYYFDZ-YOEHRIQHSA-N 2 0 291.439 1.729 10 0 CDAERP C[C@@H](NCCOC(F)(F)C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000720247777 785646135 /nfs/dbraw/zinc/64/61/35/785646135.db2.gz CSSBDLKJSQBUQM-SFYZADRCSA-N 2 0 276.249 1.888 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)C1 ZINC000870853208 785704053 /nfs/dbraw/zinc/70/40/53/785704053.db2.gz VMXGLTSRKCFCQF-ZHMBSYLPSA-N 2 0 277.412 1.104 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870864689 785725755 /nfs/dbraw/zinc/72/57/55/785725755.db2.gz UJDFPGXOKWMCKY-HLIUYOAVSA-N 2 0 279.428 1.509 10 0 CDAERP CCCN(C(=O)CCC12CC(C1)C[NH2+]2)[C@@H]1CC[NH2+]C1 ZINC000870934769 785800340 /nfs/dbraw/zinc/80/03/40/785800340.db2.gz FWZZRIXYLQFECZ-JVWICGRDSA-N 2 0 265.401 1.119 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)Nc2ccc(Cl)nc2)CC[C@@H]1C[NH3+] ZINC000923494211 785865637 /nfs/dbraw/zinc/86/56/37/785865637.db2.gz LDVLFFSXOQTFAV-GHMZBOCLSA-N 2 0 296.802 1.590 10 0 CDAERP C[C@@H](CNC1=[NH+]CCCCN1)[N@@H+]1CCCC[C@@H]1C ZINC000849215457 785902536 /nfs/dbraw/zinc/90/25/36/785902536.db2.gz KLTKASNAKIDCPG-STQMWFEESA-N 2 0 252.406 1.578 10 0 CDAERP C[C@@H]1C[N@H+](C[C@H]2COc3ccccc3O2)C[C@H]1C[NH3+] ZINC000708096962 786005697 /nfs/dbraw/zinc/00/56/97/786005697.db2.gz RFFUWSGHUGWMCA-UPJWGTAASA-N 2 0 262.353 1.353 10 0 CDAERP COC[C@@H](C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1)C(C)C ZINC000930823052 786032780 /nfs/dbraw/zinc/03/27/80/786032780.db2.gz AXOLOXCYXHYCGJ-OAHLLOKOSA-N 2 0 284.444 1.702 10 0 CDAERP CC[N@H+](CCNC(=O)NCC[C@@H]([NH3+])C(C)C)C(C)C ZINC000851656063 786042740 /nfs/dbraw/zinc/04/27/40/786042740.db2.gz FADVXXUNVIZIFL-CYBMUJFWSA-N 2 0 272.437 1.389 10 0 CDAERP [NH3+][C@@H]1CCCCC[C@H]1NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925842206 786044829 /nfs/dbraw/zinc/04/48/29/786044829.db2.gz YJCDAHDCIRXDAV-KBUPBQIOSA-N 2 0 251.418 1.768 10 0 CDAERP COCC[NH2+]C1CC[NH+](CCC2SCCS2)CC1 ZINC000853023250 786086844 /nfs/dbraw/zinc/08/68/44/786086844.db2.gz QUCHVOXUXWOJIW-UHFFFAOYSA-N 2 0 290.498 1.883 10 0 CDAERP Cc1cccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000723906728 786183022 /nfs/dbraw/zinc/18/30/22/786183022.db2.gz FKEJZAXZHSTBNV-ZIAGYGMSSA-N 2 0 275.396 1.850 10 0 CDAERP C[NH+](C)CC1CC[NH+](CN2C[C@H]3CCC[C@H]3C2=O)CC1 ZINC000839998172 786185987 /nfs/dbraw/zinc/18/59/87/786185987.db2.gz HBWLXUGASBYLBU-HUUCEWRRSA-N 2 0 279.428 1.476 10 0 CDAERP CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705231 786235242 /nfs/dbraw/zinc/23/52/42/786235242.db2.gz VTYOMZOUXSQXPO-DOMZBBRYSA-N 2 0 269.433 1.598 10 0 CDAERP CCCCOC(=O)CC[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923494723 786251229 /nfs/dbraw/zinc/25/12/29/786251229.db2.gz NSVRSYFHFRXGQX-OLZOCXBDSA-N 2 0 256.390 1.637 10 0 CDAERP CC[NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000844167180 786264932 /nfs/dbraw/zinc/26/49/32/786264932.db2.gz UOQTZJVPYZNKMQ-UHFFFAOYSA-N 2 0 275.396 1.508 10 0 CDAERP Cc1ccc(CNC(=O)[C@@H](C)N2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923513073 786278679 /nfs/dbraw/zinc/27/86/79/786278679.db2.gz FJOZOPJIXXKNPV-IIAWOOMASA-N 2 0 289.423 1.526 10 0 CDAERP [NH3+]CCCCCC[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000852755120 786350709 /nfs/dbraw/zinc/35/07/09/786350709.db2.gz YQYVDVGKAGSCFA-CYBMUJFWSA-N 2 0 251.378 1.119 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CCCN2CCOC2=O)CC1(C)C ZINC000858123129 786355802 /nfs/dbraw/zinc/35/58/02/786355802.db2.gz XVGSIHXWYRBAIG-GFCCVEGCSA-N 2 0 269.389 1.291 10 0 CDAERP [NH3+]CCCCCC[NH+]1CCC(OCCCO)CC1 ZINC000846219799 786397825 /nfs/dbraw/zinc/39/78/25/786397825.db2.gz XSFGIXQIQLIAGQ-UHFFFAOYSA-N 2 0 258.406 1.369 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]CCCNc2ccccn2)C12CCC2 ZINC000925539012 786418935 /nfs/dbraw/zinc/41/89/35/786418935.db2.gz XTEGSFFWTGKEOU-CHWSQXEVSA-N 2 0 260.385 1.743 10 0 CDAERP CCC1([NH3+])CCN([C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000714758425 786420033 /nfs/dbraw/zinc/42/00/33/786420033.db2.gz NXTUQPMYNUNEMN-KBPBESRZSA-N 3 0 251.418 1.817 10 0 CDAERP CC(C)C(=O)NCC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925507984 786450045 /nfs/dbraw/zinc/45/00/45/786450045.db2.gz DUXAMZNVBVLALH-CABCVRRESA-N 2 0 281.444 1.517 10 0 CDAERP c1ncn(-c2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)ccn2)n1 ZINC000873236839 786550224 /nfs/dbraw/zinc/55/02/24/786550224.db2.gz GJLSAKPYHFVHPL-PBWFPOADSA-N 2 0 284.367 1.035 10 0 CDAERP COCCCCC[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923448998 786589758 /nfs/dbraw/zinc/58/97/58/786589758.db2.gz JKACNAQHTGSJIF-AWEZNQCLSA-N 2 0 270.417 1.633 10 0 CDAERP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866702517 786770108 /nfs/dbraw/zinc/77/01/08/786770108.db2.gz BVEJDEFJNLNYBF-MLGOLLRUSA-N 2 0 283.460 1.987 10 0 CDAERP COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CCCCCC[NH3+] ZINC000846221479 786794546 /nfs/dbraw/zinc/79/45/46/786794546.db2.gz ZBDOCEGLRLQDFS-RDBSUJKOSA-N 2 0 268.401 1.779 10 0 CDAERP C[C@H](C(=O)NCC1CCCCC1)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923504693 786806053 /nfs/dbraw/zinc/80/60/53/786806053.db2.gz SYYVFSNEXANFLE-FMKPAKJESA-N 2 0 295.471 1.988 10 0 CDAERP Cc1cc(C)n(CC[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)n1 ZINC000723893836 786828919 /nfs/dbraw/zinc/82/89/19/786828919.db2.gz FOAGDOSFCJROHG-BXUZGUMPSA-N 2 0 250.390 1.417 10 0 CDAERP Clc1ccc(CN2CC[NH2+]CC[NH2+]CC2)s1 ZINC000923461131 786859920 /nfs/dbraw/zinc/85/99/20/786859920.db2.gz ZCUSYJNXAVLJAN-UHFFFAOYSA-N 2 0 259.806 1.396 10 0 CDAERP CN1C[C@H]([NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)CCC1=O ZINC000925509798 786879886 /nfs/dbraw/zinc/87/98/86/786879886.db2.gz QCFAWKMUSPQADU-TUAOUCFPSA-N 2 0 253.390 1.103 10 0 CDAERP COC[C@@H](C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1)OC ZINC000866710338 786883207 /nfs/dbraw/zinc/88/32/07/786883207.db2.gz YSMYTOVQDNNVOB-OCCSQVGLSA-N 2 0 258.406 1.345 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000817917228 787036459 /nfs/dbraw/zinc/03/64/59/787036459.db2.gz OOIZRFLIDQBWLV-QNWHQSFQSA-N 2 0 290.498 1.710 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)C(C)(C)[C@H]([NH3+])C(C)C ZINC000713026630 787054726 /nfs/dbraw/zinc/05/47/26/787054726.db2.gz YQCCVJYMUZLSAH-CYBMUJFWSA-N 2 0 271.449 1.844 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1CCC(OC)CC1 ZINC000849011543 787064195 /nfs/dbraw/zinc/06/41/95/787064195.db2.gz GFRPSMBFRAZDQZ-SLTAFYQDSA-N 2 0 296.459 1.790 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+]([C@@H]2CCN(C3CCC3)C2=O)C1 ZINC000866706729 787197230 /nfs/dbraw/zinc/19/72/30/787197230.db2.gz CMDNAMLJPFJDHA-RHSMWYFYSA-N 2 0 293.455 1.837 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)c2cccc(C[NH3+])c2)C1 ZINC000870992122 787219293 /nfs/dbraw/zinc/21/92/93/787219293.db2.gz IMDRYYVKHIOTFW-KRWDZBQOSA-N 2 0 289.423 1.982 10 0 CDAERP C[N@H+](CC(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2C)CC(C)(C)C ZINC000874826011 787297019 /nfs/dbraw/zinc/29/70/19/787297019.db2.gz SPTNDZLRNJNUCL-KBPBESRZSA-N 2 0 281.444 1.659 10 0 CDAERP C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C[C@@H]1CCOC1 ZINC000399109478 787302637 /nfs/dbraw/zinc/30/26/37/787302637.db2.gz VUTJHEJPMMOHEX-WIGRTHMWSA-N 2 0 252.402 1.875 10 0 CDAERP CC1(C)C[C@@H]([NH2+][C@H](CO)CC(F)F)C[C@@H]([NH3+])C1 ZINC000925651695 787375712 /nfs/dbraw/zinc/37/57/12/787375712.db2.gz JGDAFWOAOUVDKD-UTLUCORTSA-N 2 0 250.333 1.498 10 0 CDAERP COCCOCC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925565686 787706575 /nfs/dbraw/zinc/70/65/75/787706575.db2.gz WIWAJXAMGOXLGB-CABCVRRESA-N 2 0 270.417 1.407 10 0 CDAERP CCCCCC[N@H+](C)CC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000872265228 787807027 /nfs/dbraw/zinc/80/70/27/787807027.db2.gz FXFHOMUSFZKNGU-CALCHBBNSA-N 2 0 295.471 1.957 10 0 CDAERP COCC[N@H+](CCF)CCCN1CC[NH+](C(C)C)CC1 ZINC000852482202 787814429 /nfs/dbraw/zinc/81/44/29/787814429.db2.gz XRUPQEDTNHLCDW-UHFFFAOYSA-N 2 0 289.439 1.320 10 0 CDAERP Cc1c(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)ccnc1F ZINC000862278248 787834070 /nfs/dbraw/zinc/83/40/70/787834070.db2.gz FKMUZRUUOQJSCY-OAHLLOKOSA-N 2 0 295.402 1.856 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925797516 787839165 /nfs/dbraw/zinc/83/91/65/787839165.db2.gz UGBUOZXLMISWFJ-YIYPIFLZSA-N 3 0 253.434 1.728 10 0 CDAERP CC(C)[C@H](C[NH2+]Cc1ccoc1)N1CC[NH+](C)CC1 ZINC000062103584 787866873 /nfs/dbraw/zinc/86/68/73/787866873.db2.gz RBRSIPSPZDPSAY-HNNXBMFYSA-N 2 0 265.401 1.641 10 0 CDAERP CC(C)[N@H+](C)CC1CCN(C(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852860765 787899440 /nfs/dbraw/zinc/89/94/40/787899440.db2.gz JTMDMLXBEGIYNJ-UHFFFAOYSA-N 2 0 293.455 1.875 10 0 CDAERP CC1(C)[C@H]([NH2+][C@@H]2CCc3n[nH]cc3C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925585753 788000556 /nfs/dbraw/zinc/00/05/56/788000556.db2.gz WMGJYENWNIDTNR-RJZRQDKASA-N 2 0 274.412 1.633 10 0 CDAERP C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923502916 788084712 /nfs/dbraw/zinc/08/47/12/788084712.db2.gz DSUXUXFESCHOKO-DGADGQDISA-N 2 0 295.471 1.796 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)NCCCCCCC[NH+](C)C)C[NH2+]1 ZINC000861566439 788088584 /nfs/dbraw/zinc/08/85/84/788088584.db2.gz LGGIYCHALVRMJT-HUUCEWRRSA-N 2 0 298.475 1.938 10 0 CDAERP C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCS(=O)(=O)C1 ZINC000093678073 788101384 /nfs/dbraw/zinc/10/13/84/788101384.db2.gz ASCBCYKKGNVQGT-WTUNAVPPSA-N 2 0 286.441 1.026 10 0 CDAERP C[C@@H]1C[N@H+](CCCNC(=[NH2+])NCCC2CC2)CCCO1 ZINC000864465268 788222202 /nfs/dbraw/zinc/22/22/02/788222202.db2.gz SIXRZLPTTBPBPG-CYBMUJFWSA-N 2 0 282.432 1.401 10 0 CDAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)CC[C@@H]21 ZINC000713280361 788258597 /nfs/dbraw/zinc/25/85/97/788258597.db2.gz ZTYCTOBLCBTCJW-NJURLYQPSA-N 2 0 277.412 1.057 10 0 CDAERP C[NH+](C)CC[C@H]([NH2+]C[C@H](O)CC(C)(C)O)C(C)(C)C ZINC000872204297 788382247 /nfs/dbraw/zinc/38/22/47/788382247.db2.gz MQIWDGFKJOTRHB-OLZOCXBDSA-N 2 0 274.449 1.464 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000925827319 788395835 /nfs/dbraw/zinc/39/58/35/788395835.db2.gz NDPNDXFURQJBCR-BMFZPTHFSA-N 2 0 276.428 1.662 10 0 CDAERP CCN(CCC[NH+]1CCCC1)C(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000925335769 788433002 /nfs/dbraw/zinc/43/30/02/788433002.db2.gz YHDMZFZIVDXCDM-GJZGRUSLSA-N 2 0 296.459 1.596 10 0 CDAERP COC(=O)N(C)CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858193661 788470771 /nfs/dbraw/zinc/47/07/71/788470771.db2.gz ZLWRGARNWJBEQQ-LLVKDONJSA-N 2 0 257.378 1.147 10 0 CDAERP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C=C1CC[NH2+]CC1 ZINC000852861537 788664385 /nfs/dbraw/zinc/66/43/85/788664385.db2.gz FNWZIKRGVAMBSW-KFWWJZLASA-N 2 0 293.455 1.779 10 0 CDAERP C[NH+](C)C1(C)CCC([NH2+]C[C@@H](O)Cn2cccn2)CC1 ZINC000715540886 788710624 /nfs/dbraw/zinc/71/06/24/788710624.db2.gz SVEXEDLDDDBGKO-SHARSMKWSA-N 2 0 280.416 1.097 10 0 CDAERP CC1(C[NH2+]Cc2cnn(-c3ccccc3)n2)CC[NH2+]CC1 ZINC000841055473 788712302 /nfs/dbraw/zinc/71/23/02/788712302.db2.gz WQJOONKAQQPYRO-UHFFFAOYSA-N 2 0 285.395 1.747 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000852890811 788717584 /nfs/dbraw/zinc/71/75/84/788717584.db2.gz MDCWVERPVMWMTL-HUUCEWRRSA-N 2 0 277.412 1.287 10 0 CDAERP [NH3+][C@@H](C[C@H]1CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1)C1CCCC1 ZINC000923428802 788808396 /nfs/dbraw/zinc/80/83/96/788808396.db2.gz ZUPAXDXVQKDKCU-VFTHGPRRSA-N 3 0 295.471 1.457 10 0 CDAERP CCOCCOCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000923328744 788858695 /nfs/dbraw/zinc/85/86/95/788858695.db2.gz NJLWBZWWQAHKPH-CABCVRRESA-N 2 0 270.417 1.504 10 0 CDAERP C[NH+](C)C1(CNC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000922985865 788872958 /nfs/dbraw/zinc/87/29/58/788872958.db2.gz MINZUJMPSRKTII-LBPRGKRZSA-N 2 0 282.432 1.253 10 0 CDAERP COCCOCC[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866708142 788874355 /nfs/dbraw/zinc/87/43/55/788874355.db2.gz XXDNXSRSIXQXOP-CQSZACIVSA-N 2 0 258.406 1.346 10 0 CDAERP CN1C[C@]2(C)C[N@H+](CCCCCCO)C[C@]2(C)C1 ZINC000707889470 788879693 /nfs/dbraw/zinc/87/96/93/788879693.db2.gz LRIRSNBCIGZPAJ-GASCZTMLSA-N 2 0 254.418 1.813 10 0 CDAERP COC(=O)[C@H](CC(C)C)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000710102129 788942152 /nfs/dbraw/zinc/94/21/52/788942152.db2.gz LFOISLDSSFETIE-MJBXVCDLSA-N 2 0 268.401 1.458 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000220939675 788949666 /nfs/dbraw/zinc/94/96/66/788949666.db2.gz GPAZVHSRZKTBAT-MCIONIFRSA-N 2 0 267.417 1.447 10 0 CDAERP [NH3+]C[C@]12CCC[C@H]1C[N@H+](C[C@@H](O)CC1CCCC1)C2 ZINC000311977300 788968323 /nfs/dbraw/zinc/96/83/23/788968323.db2.gz QBOGJQDZFUKKLK-JYJNAYRXSA-N 2 0 266.429 1.988 10 0 CDAERP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000713007007 789071295 /nfs/dbraw/zinc/07/12/95/789071295.db2.gz BWCIYSHVRZPGRE-CQSZACIVSA-N 2 0 283.460 1.985 10 0 CDAERP COC(=O)N1CCC(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925670551 789094107 /nfs/dbraw/zinc/09/41/07/789094107.db2.gz MBCSGZGGKABPEI-ZIAGYGMSSA-N 2 0 297.443 1.960 10 0 CDAERP O[C@H](C[NH2+]CC[C@H]1CC1(Cl)Cl)C[NH+]1CCCC1 ZINC000863562256 789099447 /nfs/dbraw/zinc/09/94/47/789099447.db2.gz IDTMLTQVFGZAHS-WDEREUQCSA-N 2 0 281.227 1.617 10 0 CDAERP c1cc([C@H]2C[NH2+]CCO2)ccc1NC[C@@H]1CCC[NH2+]1 ZINC000849352929 789280533 /nfs/dbraw/zinc/28/05/33/789280533.db2.gz SOYZMVXSKKOEFN-LSDHHAIUSA-N 2 0 261.369 1.511 10 0 CDAERP C[C@H]1C[C@H]([NH2+]CCCCCN2CC[NH2+]CC2)CN1C1CC1 ZINC000925844811 789320088 /nfs/dbraw/zinc/32/00/88/789320088.db2.gz LZSFCTSWRNYKCB-HOTGVXAUSA-N 2 0 294.487 1.277 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925819688 789323981 /nfs/dbraw/zinc/32/39/81/789323981.db2.gz YFSCRNZYHKKZDK-GJZGRUSLSA-N 3 0 290.455 1.307 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC[N@@H+]1C ZINC000810439880 789361721 /nfs/dbraw/zinc/36/17/21/789361721.db2.gz ZIQHWSGFRIIWNS-DVOMOZLQSA-N 2 0 299.434 1.798 10 0 CDAERP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CCC[NH2+]C3CC3)CC2)C1 ZINC000923378632 789373349 /nfs/dbraw/zinc/37/33/49/789373349.db2.gz KMLWEXOTQITBDM-GDBMZVCRSA-N 3 0 281.444 1.347 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)C1 ZINC000872300129 789388996 /nfs/dbraw/zinc/38/89/96/789388996.db2.gz UELUFHWABKXCEO-QSJFSLAZSA-N 2 0 285.391 1.287 10 0 CDAERP C[NH+](C)C1(C)CC[NH+](C[C@@H]2CCC[C@H](O)C2)CC1 ZINC000709790819 789416830 /nfs/dbraw/zinc/41/68/30/789416830.db2.gz QNHPQWFJANOCBN-KGLIPLIRSA-N 2 0 254.418 1.954 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000925717982 789419206 /nfs/dbraw/zinc/41/92/06/789419206.db2.gz MHYYVAQXENVGGG-MGPQQGTHSA-N 2 0 256.390 1.147 10 0 CDAERP C[C@@H]1C[N@H+](C[C@@H]2CC[C@H](C3CC3)O2)CC[C@H]1C[NH3+] ZINC000923494545 789543614 /nfs/dbraw/zinc/54/36/14/789543614.db2.gz YTMUKNPVQKANIB-UQOMUDLDSA-N 2 0 252.402 1.861 10 0 CDAERP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCc1ccc(C(N)=O)cc1 ZINC000866668272 789640274 /nfs/dbraw/zinc/64/02/74/789640274.db2.gz AQLDZVKVOCIQQR-RISCZKNCSA-N 2 0 261.369 1.140 10 0 CDAERP CS(=O)(=O)CC1(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)CCC1 ZINC000925696078 789646669 /nfs/dbraw/zinc/64/66/69/789646669.db2.gz ZHFRQFPHFVZYPI-NWDGAFQWSA-N 2 0 286.441 1.061 10 0 CDAERP C[N@@H+]1CC[C@H]2CN(CCCC3CC[NH2+]CC3)CC[C@@H]21 ZINC000866703355 789776183 /nfs/dbraw/zinc/77/61/83/789776183.db2.gz HKENDCUAOWZUDC-HOTGVXAUSA-N 3 0 265.445 1.792 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2NC1CC[NH+](C2CC2)CC1 ZINC000924591827 789808348 /nfs/dbraw/zinc/80/83/48/789808348.db2.gz LJYNTFVZDXTCNW-OCZCAGDBSA-N 2 0 263.429 1.543 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)[C@H]([NH3+])C(C)C)C1 ZINC000713055854 789851100 /nfs/dbraw/zinc/85/11/00/789851100.db2.gz BROBRISYLUSUMI-CHWSQXEVSA-N 2 0 269.433 1.454 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H]1C[N@H+](C)CC1(C)C)[NH+](C)C ZINC001639135041 1166902783 /nfs/dbraw/zinc/90/27/83/1166902783.db2.gz CGHJHUZTODRWNB-RYUDHWBXSA-N 2 0 255.406 1.029 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCC)[C@@H]1C ZINC001566110856 1168238603 /nfs/dbraw/zinc/23/86/03/1168238603.db2.gz GDGPBOATWKMGSU-OLZOCXBDSA-N 2 0 255.406 1.317 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CC[C@@H]2C[C@@H](C)C[N@@H+]2C1 ZINC001646941286 1168273745 /nfs/dbraw/zinc/27/37/45/1168273745.db2.gz AIEVUCLZCNATND-QKPAOTATSA-N 2 0 295.471 1.953 10 0 CDAERP CC[N@H+](C)CCCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001566491482 1168291989 /nfs/dbraw/zinc/29/19/89/1168291989.db2.gz YSPIIZBLMHMXFY-OAHLLOKOSA-N 2 0 287.423 1.657 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC001647229669 1168471087 /nfs/dbraw/zinc/47/10/87/1168471087.db2.gz KHPAXJUAGQMVHF-HUUCEWRRSA-N 2 0 273.380 1.788 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC1CC1 ZINC001567021297 1168515692 /nfs/dbraw/zinc/51/56/92/1168515692.db2.gz JVQBFGSFFOQPPV-JSGCOSHPSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001567048291 1168531790 /nfs/dbraw/zinc/53/17/90/1168531790.db2.gz SJTRHHVUOHYYPK-ZDUSSCGKSA-N 2 0 267.417 1.389 10 0 CDAERP CCC/C=C\CC[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001567319035 1168678163 /nfs/dbraw/zinc/67/81/63/1168678163.db2.gz XJGWCPNFWIVHMT-IDTUSYRASA-N 2 0 281.444 1.733 10 0 CDAERP CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001266339757 894446229 /nfs/dbraw/zinc/44/62/29/894446229.db2.gz XCOVKBLLPPFNJR-XHPSBEMXSA-N 2 0 281.444 1.875 10 0 CDAERP CC1CC(C[NH2+]CCN(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001567510899 1168822684 /nfs/dbraw/zinc/82/26/84/1168822684.db2.gz KMZULPCDSQIZIY-GPANFISMSA-N 2 0 295.471 1.955 10 0 CDAERP CC1CC(C[NH2+]CCN(C)C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001567510900 1168823325 /nfs/dbraw/zinc/82/33/25/1168823325.db2.gz KMZULPCDSQIZIY-UYSNPLJNSA-N 2 0 295.471 1.955 10 0 CDAERP CC/C=C/CC[NH2+][C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001266992979 896510116 /nfs/dbraw/zinc/51/01/16/896510116.db2.gz GKRYLXJJELJWKQ-ISZGNANSSA-N 2 0 267.417 1.533 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)CC[NH2+]CCCF)[NH+]1CCCC1 ZINC001267116799 896836156 /nfs/dbraw/zinc/83/61/56/896836156.db2.gz HXWXSBHJKXITAJ-AWEZNQCLSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)CC[NH2+]CCF)[NH+]1CCCC1 ZINC001267116966 896837950 /nfs/dbraw/zinc/83/79/50/896837950.db2.gz LAMHZJVMVCKWOT-ZDUSSCGKSA-N 2 0 273.396 1.124 10 0 CDAERP CCC[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001267128871 896878147 /nfs/dbraw/zinc/87/81/47/896878147.db2.gz DHBRBSVEAVAGGO-HZSPNIEDSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001418472291 896964713 /nfs/dbraw/zinc/96/47/13/896964713.db2.gz ZEIYXWGSTIWXLX-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCC1SCCS1 ZINC000693779717 897290378 /nfs/dbraw/zinc/29/03/78/897290378.db2.gz MBPRRPAHQNDPMZ-SNVBAGLBSA-N 2 0 264.460 1.526 10 0 CDAERP Cc1nc(CC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)cs1 ZINC000405211006 897567373 /nfs/dbraw/zinc/56/73/73/897567373.db2.gz CRNCZBBJOBFPMK-NWDGAFQWSA-N 2 0 251.399 1.854 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)CC[NH2+]Cc1ccccn1)[NH+](C)C ZINC001267387967 897842497 /nfs/dbraw/zinc/84/24/97/897842497.db2.gz WNLBJCHIISATSB-HNNXBMFYSA-N 2 0 292.427 1.216 10 0 CDAERP CCC[NH2+]CCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001481241923 899589461 /nfs/dbraw/zinc/58/94/61/899589461.db2.gz ASCOBLWNXUSDTP-CYBMUJFWSA-N 2 0 255.406 1.319 10 0 CDAERP CC1CC(C[NH2+]CCN(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001481251459 899662780 /nfs/dbraw/zinc/66/27/80/899662780.db2.gz NCZRMVBJNXHSGI-UHFFFAOYSA-N 2 0 293.455 1.709 10 0 CDAERP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CC1=CCCCC1 ZINC001267818508 899806296 /nfs/dbraw/zinc/80/62/96/899806296.db2.gz IFJJUWPCFILCMQ-HNNXBMFYSA-N 2 0 281.444 1.923 10 0 CDAERP CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001267933082 900000935 /nfs/dbraw/zinc/00/09/35/900000935.db2.gz AFYJCZDTDLNAKX-INIZCTEOSA-N 2 0 289.423 1.897 10 0 CDAERP CC(C)C[C@H](C[NH2+]CCF)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001268110695 901310553 /nfs/dbraw/zinc/31/05/53/901310553.db2.gz HLBOLTLZHHTHRD-UONOGXRCSA-N 2 0 287.423 1.418 10 0 CDAERP CC(C)CCC[NH+]1CC(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001481629499 901515264 /nfs/dbraw/zinc/51/52/64/901515264.db2.gz KSQDXZQHIHGBTK-UHFFFAOYSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](C(=O)NCC1C[NH+](CC2CCCC2)C1)[NH+](C)C ZINC001481630833 901523611 /nfs/dbraw/zinc/52/36/11/901523611.db2.gz QYDAABDZTQOCFC-OAHLLOKOSA-N 2 0 281.444 1.565 10 0 CDAERP CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CC[N@H+](C)CC ZINC001268288557 901758158 /nfs/dbraw/zinc/75/81/58/901758158.db2.gz JIJNUYJKYSWPJO-KGLIPLIRSA-N 2 0 269.433 1.613 10 0 CDAERP CC/C=C/CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC)[NH+](C)C ZINC001481681564 901784021 /nfs/dbraw/zinc/78/40/21/901784021.db2.gz MAJNRAQJLVNNBK-PAAZZTKMSA-N 2 0 293.455 1.968 10 0 CDAERP C[C@H]([NH2+]CCF)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001422039722 902079788 /nfs/dbraw/zinc/07/97/88/902079788.db2.gz AAKSZEVZLSAWRQ-UONOGXRCSA-N 2 0 285.407 1.268 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCC(C)C ZINC001481874591 902248777 /nfs/dbraw/zinc/24/87/77/902248777.db2.gz HNBUFQNWRXEJHL-UONOGXRCSA-N 2 0 269.433 1.469 10 0 CDAERP CCN(CC[NH2+]CCCF)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001268500293 902410560 /nfs/dbraw/zinc/41/05/60/902410560.db2.gz VUCSVWKIVMCYJZ-OKILXGFUSA-N 2 0 287.423 1.657 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCCF ZINC001482054229 902561368 /nfs/dbraw/zinc/56/13/68/902561368.db2.gz IBEHNWYBNJILOW-OLZOCXBDSA-N 2 0 271.380 1.021 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NC/C=C\C[NH2+]CC2CCCC2)C1 ZINC001268626620 902835993 /nfs/dbraw/zinc/83/59/93/902835993.db2.gz QGORQQOUBBACLJ-FOSCPCJNSA-N 2 0 279.428 1.390 10 0 CDAERP CCCCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001482196295 903170545 /nfs/dbraw/zinc/17/05/45/903170545.db2.gz RPIJRTUIJQPCCK-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@H](C)C[NH2+]CCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001268847928 903177386 /nfs/dbraw/zinc/17/73/86/903177386.db2.gz ORRIEHBCNSCRNR-LSDHHAIUSA-N 2 0 283.460 1.812 10 0 CDAERP CCC[NH2+]C[C@@](C)(NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001269645926 904008383 /nfs/dbraw/zinc/00/83/83/904008383.db2.gz RKJNZTYCGWDLLZ-XJKSGUPXSA-N 2 0 281.444 1.613 10 0 CDAERP CCC[NH2+]C[C@@](C)(NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001269645925 904009863 /nfs/dbraw/zinc/00/98/63/904009863.db2.gz RKJNZTYCGWDLLZ-CZUORRHYSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001270594854 904772697 /nfs/dbraw/zinc/77/26/97/904772697.db2.gz LATWYYZWTWUNFW-UONOGXRCSA-N 2 0 267.417 1.246 10 0 CDAERP CC(C)C[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001482329906 905079465 /nfs/dbraw/zinc/07/94/65/905079465.db2.gz FWMOAIFKNHPLJY-KBPBESRZSA-N 2 0 269.433 1.421 10 0 CDAERP CCOCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001270830233 905113584 /nfs/dbraw/zinc/11/35/84/905113584.db2.gz PPUCSRYXXWEYJA-ZBFHGGJFSA-N 2 0 299.459 1.191 10 0 CDAERP CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CN(CC)CCO1 ZINC001271607188 906545419 /nfs/dbraw/zinc/54/54/19/906545419.db2.gz CAYSRAYMKMBRDF-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP C[C@@H](CC[NH2+]CC1CC(C)C1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001482865630 908444017 /nfs/dbraw/zinc/44/40/17/908444017.db2.gz LHTZGIXJRPBLCD-SLTAFYQDSA-N 2 0 295.471 1.859 10 0 CDAERP CCCCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001483192927 909948077 /nfs/dbraw/zinc/94/80/77/909948077.db2.gz KVASJBDHJREHNN-CHWSQXEVSA-N 2 0 255.406 1.223 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1cncs1)[NH+](C)C ZINC001273018402 921568514 /nfs/dbraw/zinc/56/85/14/921568514.db2.gz KBGFHZIULXHWQS-YPMHNXCESA-N 2 0 298.456 1.468 10 0 CDAERP C[C@@H](C[NH2+]CC1CCCCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001483294283 910806669 /nfs/dbraw/zinc/80/66/69/910806669.db2.gz VECIBEZCGKVSET-DZGCQCFKSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)[NH2+][C@H](CO)CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001507223777 910957526 /nfs/dbraw/zinc/95/75/26/910957526.db2.gz UMJRPELZOBZIAH-AWEZNQCLSA-N 2 0 299.459 1.116 10 0 CDAERP CC(C)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1C ZINC001483352152 910958360 /nfs/dbraw/zinc/95/83/60/910958360.db2.gz FICDOADRABNWEA-ZIAGYGMSSA-N 2 0 269.433 1.563 10 0 CDAERP CCC[C@H](O)C[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001434509185 921626995 /nfs/dbraw/zinc/62/69/95/921626995.db2.gz OIVLEQGIWYBSJD-HNNXBMFYSA-N 2 0 284.444 1.460 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001483605139 911312105 /nfs/dbraw/zinc/31/21/05/911312105.db2.gz FAAAUPMFIALKCF-TZMCWYRMSA-N 2 0 285.407 1.315 10 0 CDAERP CCC[N@@H+]1CC[C@@](C)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001484066949 915377089 /nfs/dbraw/zinc/37/70/89/915377089.db2.gz DUPSQBMCLQKVMU-DZGCQCFKSA-N 2 0 267.417 1.319 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCOC)CCC1 ZINC001484663491 916011534 /nfs/dbraw/zinc/01/15/34/916011534.db2.gz VXONLKALLWKKIB-CQSZACIVSA-N 2 0 297.443 1.136 10 0 CDAERP C[C@H](F)CC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001484722883 916080214 /nfs/dbraw/zinc/08/02/14/916080214.db2.gz KDHOPTDGORJABT-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)=CC[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001484898587 916253619 /nfs/dbraw/zinc/25/36/19/916253619.db2.gz YENLAOWTDJKMCF-KGLIPLIRSA-N 2 0 267.417 1.341 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CCF)CC1 ZINC001484913432 916264344 /nfs/dbraw/zinc/26/43/44/916264344.db2.gz NOJSCPKJCHRFGP-LBPRGKRZSA-N 2 0 271.380 1.021 10 0 CDAERP CC(C)[C@@H](C(=O)N1CCC(C)([NH2+]CCF)CC1)[NH+](C)C ZINC001484919129 916276544 /nfs/dbraw/zinc/27/65/44/916276544.db2.gz QJFADGJKNKRYRR-ZDUSSCGKSA-N 2 0 287.423 1.513 10 0 CDAERP CO[C@H](C)C[NH2+]C1(C)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001484921457 916277243 /nfs/dbraw/zinc/27/72/43/916277243.db2.gz WHZLLECWVCVCLE-CQSZACIVSA-N 2 0 299.459 1.334 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC1CCOCC1 ZINC001485216842 916659837 /nfs/dbraw/zinc/65/98/37/916659837.db2.gz QAYIWVHOTOOYMX-KBPBESRZSA-N 2 0 299.459 1.238 10 0 CDAERP CN(CC(C)(C)C[NH2+]CCF)C(=O)C1CC[NH+](C)CC1 ZINC001485259478 916704323 /nfs/dbraw/zinc/70/43/23/916704323.db2.gz VLLLWIQKZKZPDZ-UHFFFAOYSA-N 2 0 287.423 1.372 10 0 CDAERP CCCCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001485302702 916812179 /nfs/dbraw/zinc/81/21/79/916812179.db2.gz NMSOGUJDSUSKHI-GOEBONIOSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](F)C[N@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001485766860 917269571 /nfs/dbraw/zinc/26/95/71/917269571.db2.gz MCYWVIMBQVERII-UONOGXRCSA-N 2 0 299.434 1.609 10 0 CDAERP CC(C)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001485877775 920542194 /nfs/dbraw/zinc/54/21/94/920542194.db2.gz ZECHRTNQJPKNAO-HIFRSBDPSA-N 2 0 281.444 1.421 10 0 CDAERP C[C@H](CN(C)C(=O)C12CCC[NH+](CCC1)C2)[NH2+]CCCF ZINC001485892565 920552917 /nfs/dbraw/zinc/55/29/17/920552917.db2.gz POXTUMRNPSKEOF-CQSZACIVSA-N 2 0 299.434 1.659 10 0 CDAERP CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]21 ZINC001486160264 920762455 /nfs/dbraw/zinc/76/24/55/920762455.db2.gz HHFUSNBGRXMIIK-RRFJBIMHSA-N 2 0 281.444 1.565 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CCF)C(C)(C)C1 ZINC001486247765 920840271 /nfs/dbraw/zinc/84/02/71/920840271.db2.gz LGTDZGYTZADGEO-LBPRGKRZSA-N 2 0 273.396 1.124 10 0 CDAERP CC(C)[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001486303294 920875066 /nfs/dbraw/zinc/87/50/66/920875066.db2.gz NJXQLBUEOQYSQP-CABCVRRESA-N 2 0 299.459 1.067 10 0 CDAERP CCOCC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001486424059 920995192 /nfs/dbraw/zinc/99/51/92/920995192.db2.gz QECRGYGCVMMRBG-KGLIPLIRSA-N 2 0 299.459 1.095 10 0 CDAERP CN(C(=O)CC[NH+](C)C)C1CC([NH2+]CC2CCCC2)C1 ZINC001486475255 921053194 /nfs/dbraw/zinc/05/31/94/921053194.db2.gz GKHUMOVXBLBHGE-UHFFFAOYSA-N 2 0 281.444 1.707 10 0 CDAERP C([C@@H]1CCCC12CCOCC2)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001190436837 922014088 /nfs/dbraw/zinc/01/40/88/922014088.db2.gz MCCLKHRZLAHWMR-ZNMIVQPWSA-N 2 0 264.413 1.735 10 0 CDAERP CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CCC[C@H](C)O)C1)[NH+](C)C ZINC001494239685 923346836 /nfs/dbraw/zinc/34/68/36/923346836.db2.gz FWRLFSAKQIXOHO-KKUMJFAQSA-N 2 0 299.459 1.068 10 0 CDAERP CC(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001491073660 936852152 /nfs/dbraw/zinc/85/21/52/936852152.db2.gz OGDLGNMRPQOLMT-HZSPNIEDSA-N 2 0 269.433 1.465 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001491117536 936860530 /nfs/dbraw/zinc/86/05/30/936860530.db2.gz IQZHUHBZAUHJLK-GJZGRUSLSA-N 2 0 281.444 1.566 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H](C[NH2+]CC2CCCC2)C1 ZINC001491169535 936868709 /nfs/dbraw/zinc/86/87/09/936868709.db2.gz BPZVSHHFFVXBDI-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923497191 923880390 /nfs/dbraw/zinc/88/03/90/923880390.db2.gz GVTHYHZEVXZPGD-FRRDWIJNSA-N 2 0 255.406 1.208 10 0 CDAERP COC[C@H](C)[N@@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001410024171 923970818 /nfs/dbraw/zinc/97/08/18/923970818.db2.gz DDKBUDPTABPFBF-KBPBESRZSA-N 2 0 299.459 1.188 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001410224104 925418344 /nfs/dbraw/zinc/41/83/44/925418344.db2.gz NNWQIWRHENEAGQ-KBUPBQIOSA-N 2 0 299.434 1.561 10 0 CDAERP CCN(CC[NH2+]C/C=C\Cl)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001273298100 925759130 /nfs/dbraw/zinc/75/91/30/925759130.db2.gz IOCPXDBMZONASN-HWPRWLFBSA-N 2 0 273.808 1.271 10 0 CDAERP CCN(CC[NH2+]CCC1CC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001273298323 925761447 /nfs/dbraw/zinc/76/14/47/925761447.db2.gz LWQHSZFMIAIPME-CQSZACIVSA-N 2 0 267.417 1.319 10 0 CDAERP CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001488659817 926653860 /nfs/dbraw/zinc/65/38/60/926653860.db2.gz BTUVWLJAOBVEBY-HUUCEWRRSA-N 2 0 281.444 1.661 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](CNC(=O)Cc2cncn2C)C1 ZINC001488789384 926713571 /nfs/dbraw/zinc/71/35/71/926713571.db2.gz GZIRNPYVWXRJJL-UPJWGTAASA-N 2 0 296.390 1.195 10 0 CDAERP CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001411015477 926893088 /nfs/dbraw/zinc/89/30/88/926893088.db2.gz LTOQNKNTFMJAEH-GHMZBOCLSA-N 2 0 295.349 1.185 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](CC)C2CC2)CC[N@@H+]1C ZINC001490372901 927137341 /nfs/dbraw/zinc/13/73/41/927137341.db2.gz XKGRRYHEMCEXSL-LSDHHAIUSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CC[NH+](CCCCCF)C2)C1 ZINC001490561040 927231079 /nfs/dbraw/zinc/23/10/79/927231079.db2.gz NFYFMSAIGGWONF-LSDHHAIUSA-N 2 0 299.434 1.659 10 0 CDAERP COc1ccccc1[C@H]([NH3+])CNC(=O)C=C1CC[NH2+]CC1 ZINC000852792323 927874136 /nfs/dbraw/zinc/87/41/36/927874136.db2.gz VUEPZCFIDUWXIQ-CQSZACIVSA-N 2 0 289.379 1.121 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000852898921 927912096 /nfs/dbraw/zinc/91/20/96/927912096.db2.gz AXVQNRCKOFJRHB-INIZCTEOSA-N 2 0 291.439 1.534 10 0 CDAERP CC1(C)[C@H]([NH2+]CCCCS(C)(=O)=O)[C@@H]2CCC[NH2+][C@@H]21 ZINC000693702191 937250397 /nfs/dbraw/zinc/25/03/97/937250397.db2.gz DIPFZXVEUWSYSC-XQQFMLRXSA-N 2 0 288.457 1.177 10 0 CDAERP c1nc2cnccn2c1C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC001202748972 931061065 /nfs/dbraw/zinc/06/10/65/931061065.db2.gz FOGJVJHODGRSNR-UHFFFAOYSA-N 2 0 278.319 1.667 10 0 CDAERP CC1CC(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001274133705 931189433 /nfs/dbraw/zinc/18/94/33/931189433.db2.gz MUXXYMIPDKWJCJ-WENUISLWSA-N 2 0 293.455 1.779 10 0 CDAERP CC[N@@H+]1CC[C@@H]1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001411819290 932048432 /nfs/dbraw/zinc/04/84/32/932048432.db2.gz ZRWMAPPWAMTPRE-LSDHHAIUSA-N 2 0 279.428 1.415 10 0 CDAERP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)[C@@H](C)C[N@@H+]1C ZINC001411937972 932160925 /nfs/dbraw/zinc/16/09/25/932160925.db2.gz LOVAROMRVGDAFV-LXTVHRRPSA-N 2 0 281.444 1.658 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[NH+](C)[C@@H](C)C2)C1 ZINC001412186539 932313962 /nfs/dbraw/zinc/31/39/62/932313962.db2.gz JHSUYWZNAHUHCL-ZNMIVQPWSA-N 2 0 281.444 1.658 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC001412436960 932429168 /nfs/dbraw/zinc/42/91/68/932429168.db2.gz XVMWGRNKZLOYPR-SQWLQELKSA-N 2 0 293.455 1.707 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](C)N1CCCCC1 ZINC000234723373 932573224 /nfs/dbraw/zinc/57/32/24/932573224.db2.gz IHCLZRXYCHAYRW-ZIAGYGMSSA-N 2 0 257.422 1.204 10 0 CDAERP C[C@H]1[C@H](C)OC[C@H]1[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000924962072 932836570 /nfs/dbraw/zinc/83/65/70/932836570.db2.gz ZFZADRUVJCILKQ-OFQRWUPVSA-N 2 0 283.460 1.273 10 0 CDAERP C[C@@H]1[C@H](NC(=O)N2CCC[C@H]3C[NH+](C)CC[C@H]32)CC[N@@H+]1C ZINC000925333941 932875412 /nfs/dbraw/zinc/87/54/12/932875412.db2.gz YBKKPDANJXYHSY-LXTVHRRPSA-N 2 0 294.443 1.205 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+][C@H](CO)Cc2ccc(F)cc2)C12CCC2 ZINC000925650325 932920929 /nfs/dbraw/zinc/92/09/29/932920929.db2.gz NYBXHADLSGDYJN-ZNMIVQPWSA-N 2 0 278.371 1.589 10 0 CDAERP C[NH+](C)C1(CN[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CCC1 ZINC000925646155 932921033 /nfs/dbraw/zinc/92/10/33/932921033.db2.gz VTOFZMQJFVKQCD-CHWSQXEVSA-N 2 0 253.434 1.966 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCc1cc(F)ccc1OC ZINC000925775495 932937370 /nfs/dbraw/zinc/93/73/70/932937370.db2.gz RARAUFBVRUKPQO-AWEZNQCLSA-N 2 0 284.375 1.720 10 0 CDAERP C[C@@H]1CN(C2CC2)CCN1C(=O)C1CC[NH+](C2CC2)CC1 ZINC001412857784 935061715 /nfs/dbraw/zinc/06/17/15/935061715.db2.gz GQBUBSKNZWSYEQ-CYBMUJFWSA-N 2 0 291.439 1.556 10 0 CDAERP C[NH+](C)C1(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CCCC1 ZINC001412930206 935097512 /nfs/dbraw/zinc/09/75/12/935097512.db2.gz MHVNYTBFEXFOBV-OAHLLOKOSA-N 2 0 293.455 1.994 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]CCCF)C1CC1 ZINC001276612638 940434136 /nfs/dbraw/zinc/43/41/36/940434136.db2.gz VVPQPNBORIRNKB-ZIAGYGMSSA-N 2 0 285.407 1.315 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2ccc3c(c2)OCCO3)C12CCC2 ZINC000405257026 940976347 /nfs/dbraw/zinc/97/63/47/940976347.db2.gz MWUCADOZTGYCDT-HZPDHXFCSA-N 2 0 288.391 1.860 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H]2CSCCS2)C12CCC2 ZINC000405261709 940978223 /nfs/dbraw/zinc/97/82/23/940978223.db2.gz PDYAQYWVCLJQQI-GMTAPVOTSA-N 2 0 258.456 1.695 10 0 CDAERP [NH3+][C@H]1C[C@@H]([NH2+][C@@H](CO)Cc2ccccc2)C12CCC2 ZINC000405290720 940979425 /nfs/dbraw/zinc/97/94/25/940979425.db2.gz ZUUFTLNEHCCVDM-QLFBSQMISA-N 2 0 260.381 1.450 10 0 CDAERP O=C(CC[N@H+]1CC[C@H](F)C1)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC001362080163 970859878 /nfs/dbraw/zinc/85/98/78/970859878.db2.gz PSHMDCQGEUTPCT-UONOGXRCSA-N 2 0 283.391 1.021 10 0 CDAERP CC(C)(C(=O)NCC1([NH2+]CCCF)CC1)[NH+]1CCCC1 ZINC001277132620 942015523 /nfs/dbraw/zinc/01/55/23/942015523.db2.gz GXPFFTRWTIMNIV-UHFFFAOYSA-N 2 0 285.407 1.459 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001277189795 942150870 /nfs/dbraw/zinc/15/08/70/942150870.db2.gz RKZSXJKCLGSKGS-UHFFFAOYSA-N 2 0 281.444 1.757 10 0 CDAERP CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001277218127 942186233 /nfs/dbraw/zinc/18/62/33/942186233.db2.gz PBCHEFFKKKCNTC-OLZOCXBDSA-N 2 0 255.406 1.365 10 0 CDAERP O=C(CC[N@H+]1CC[C@@H](F)C1)NC1CC[NH+](CC2CC2)CC1 ZINC001362125010 970917117 /nfs/dbraw/zinc/91/71/17/970917117.db2.gz UXYGNIOHMJDADG-CQSZACIVSA-N 2 0 297.418 1.411 10 0 CDAERP CC(C)[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001282139677 942667931 /nfs/dbraw/zinc/66/79/31/942667931.db2.gz DQUORPJIRFDJGP-RYUDHWBXSA-N 2 0 255.406 1.362 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CC1CC(C)C1 ZINC001282449071 942715617 /nfs/dbraw/zinc/71/56/17/942715617.db2.gz JMZNOTYYKKGTBQ-ROKHWSDSSA-N 2 0 269.433 1.421 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)NCC[NH+]2CC[C@@H](C)C2)C1 ZINC001362171524 970975821 /nfs/dbraw/zinc/97/58/21/970975821.db2.gz GNBLHRDOEJBPLL-CABCVRRESA-N 2 0 281.444 1.565 10 0 CDAERP CCC[N@H+](C)CC(=O)NCC1=CC[NH+](CC[C@H](C)F)CC1 ZINC001284976564 943306031 /nfs/dbraw/zinc/30/60/31/943306031.db2.gz JOUVYGKRNPKJDC-AWEZNQCLSA-N 2 0 299.434 1.825 10 0 CDAERP CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@H+](C)C(C)C ZINC001264568406 944149862 /nfs/dbraw/zinc/14/98/62/944149862.db2.gz WEEQJXPVPXFWHL-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CCCCC[NH2+][C@H](C)CN(C)C(=O)Cc1cnc[nH]1 ZINC001277946456 944160364 /nfs/dbraw/zinc/16/03/64/944160364.db2.gz WEOLBWXOUOVHNA-GFCCVEGCSA-N 2 0 266.389 1.579 10 0 CDAERP C[C@H](O)CCC[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001265001132 944197241 /nfs/dbraw/zinc/19/72/41/944197241.db2.gz OSAWPMIDRNDLCT-GJZGRUSLSA-N 2 0 299.459 1.070 10 0 CDAERP CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001265088301 944225615 /nfs/dbraw/zinc/22/56/15/944225615.db2.gz BJSCPCJSPLMETC-QWHCGFSZSA-N 2 0 255.406 1.317 10 0 CDAERP CCC[N@H+](CC)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001265104276 944229462 /nfs/dbraw/zinc/22/94/62/944229462.db2.gz NKZAXKVGAYVUBH-CYBMUJFWSA-N 2 0 255.406 1.319 10 0 CDAERP C[C@H](O)CCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001281741657 944272976 /nfs/dbraw/zinc/27/29/76/944272976.db2.gz UKEURJRYWSHDGA-KKUMJFAQSA-N 2 0 299.459 1.116 10 0 CDAERP COCCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001265301451 944333666 /nfs/dbraw/zinc/33/36/66/944333666.db2.gz KYKSOFDQNAACIB-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001265429459 944386228 /nfs/dbraw/zinc/38/62/28/944386228.db2.gz YWFSQAGJQVLEHK-LSDHHAIUSA-N 2 0 281.444 1.850 10 0 CDAERP CCCCC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001265454142 944393733 /nfs/dbraw/zinc/39/37/33/944393733.db2.gz GKKZRZFXDUUMSM-AWEZNQCLSA-N 2 0 279.428 1.463 10 0 CDAERP COCC[NH2+]C1CCC(NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001265743410 944486347 /nfs/dbraw/zinc/48/63/47/944486347.db2.gz OMXQYARCZPTPBW-YMAMQOFZSA-N 2 0 299.459 1.236 10 0 CDAERP CC(C)=CC[NH+](C)CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001265848553 944538719 /nfs/dbraw/zinc/53/87/19/944538719.db2.gz MIHOBOBVEXSNQV-HUUCEWRRSA-N 2 0 281.444 1.731 10 0 CDAERP COCC[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001265949658 944589194 /nfs/dbraw/zinc/58/91/94/944589194.db2.gz XRTBMKOOLHCHMM-HNNXBMFYSA-N 2 0 297.443 1.089 10 0 CDAERP CC[C@H](C(=O)N1CC[C@@H](C[NH2+]CCC(C)C)C1)[NH+](C)C ZINC001265990909 944618815 /nfs/dbraw/zinc/61/88/15/944618815.db2.gz WNPQUFKQIZNDPT-LSDHHAIUSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001266094459 944675626 /nfs/dbraw/zinc/67/56/26/944675626.db2.gz UWCUCNKUFMSDJW-JKSUJKDBSA-N 2 0 293.455 1.970 10 0 CDAERP CC(C)=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001266094458 944677364 /nfs/dbraw/zinc/67/73/64/944677364.db2.gz UWCUCNKUFMSDJW-HZPDHXFCSA-N 2 0 293.455 1.970 10 0 CDAERP CCC[NH+]1CCC(C)(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001278093927 944756676 /nfs/dbraw/zinc/75/66/76/944756676.db2.gz CTBWBOQYTRIOMQ-UHFFFAOYSA-N 2 0 269.433 1.707 10 0 CDAERP CC/C=C/CC[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001279321339 944794616 /nfs/dbraw/zinc/79/46/16/944794616.db2.gz BOHWRHKRBIPZMB-MKQHEUEASA-N 2 0 293.455 1.873 10 0 CDAERP CC[C@@H]1CN(C(=O)[C@@H]2CCCC[C@H]2[NH3+])CC[C@H]1[NH3+] ZINC001261495065 946142988 /nfs/dbraw/zinc/14/29/88/946142988.db2.gz QNPIVCXZBQMVJU-FDYHWXHSSA-N 2 0 253.390 1.090 10 0 CDAERP CCN1CC[C@H]1C(=O)NCc1ccccc1-n1ccnc1C ZINC001362486431 971327306 /nfs/dbraw/zinc/32/73/06/971327306.db2.gz XFTIFHQGOJHODM-INIZCTEOSA-N 2 0 298.390 1.891 10 0 CDAERP CCC[NH2+][C@@H]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001479496574 971332149 /nfs/dbraw/zinc/33/21/49/971332149.db2.gz ZFJIPCVWRGPFNU-UONOGXRCSA-N 2 0 267.417 1.367 10 0 CDAERP CC[C@H](F)C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001479866370 971459105 /nfs/dbraw/zinc/45/91/05/971459105.db2.gz MXHLPZUVJDPZDC-DZGCQCFKSA-N 2 0 299.434 1.799 10 0 CDAERP C[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CCF)C(C)(C)C)CC1 ZINC001278996348 948540544 /nfs/dbraw/zinc/54/05/44/948540544.db2.gz WHIAXZHOORCQFJ-ZDUSSCGKSA-N 2 0 287.423 1.418 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CC[C@@H](F)C1 ZINC001362644376 971488280 /nfs/dbraw/zinc/48/82/80/971488280.db2.gz LHBUFRKKDGTWHW-KGLIPLIRSA-N 2 0 285.407 1.411 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC(C)C ZINC001569039090 1169608772 /nfs/dbraw/zinc/60/87/72/1169608772.db2.gz WOIRRUOSHCHJJE-ZIAGYGMSSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)CC1 ZINC001362795283 971626306 /nfs/dbraw/zinc/62/63/06/971626306.db2.gz MVRATOQWUGYSPR-GASCZTMLSA-N 2 0 295.471 1.905 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)[NH2+]CC1CCCC1)[NH+](C)C ZINC001480487724 971750643 /nfs/dbraw/zinc/75/06/43/971750643.db2.gz YKJGBEDFASUZKU-GXTWGEPZSA-N 2 0 269.433 1.611 10 0 CDAERP CCC[NH2+][C@H]1CN(C(=O)CCCC[NH+](C)C)CC1(C)C ZINC001278684569 951682185 /nfs/dbraw/zinc/68/21/85/951682185.db2.gz GYSDNWZZCIYMOU-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[NH2+]C[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001480671583 971833583 /nfs/dbraw/zinc/83/35/83/971833583.db2.gz FYUCLQVIYPPEIO-ZDUSSCGKSA-N 2 0 255.406 1.176 10 0 CDAERP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)CC[NH+]1CC[C@H](F)C1 ZINC001363611613 953539212 /nfs/dbraw/zinc/53/92/12/953539212.db2.gz RBZQKKMVMLNQCP-LSDHHAIUSA-N 2 0 299.434 1.609 10 0 CDAERP CCc1c[nH]c2ncnc(N3C[C@H]4C[N@H+](C)C[C@@]4(C)C3)c12 ZINC001363762444 953758625 /nfs/dbraw/zinc/75/86/25/953758625.db2.gz MUKYLMKAULZXHN-WBMJQRKESA-N 2 0 285.395 1.908 10 0 CDAERP C[NH+](C)C1(C(=O)NCC[N@@H+]2CCC(C)(C)C2)CCCC1 ZINC001363896570 953990459 /nfs/dbraw/zinc/99/04/59/953990459.db2.gz BTCNRIUKBGTIHF-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC001326372952 954345497 /nfs/dbraw/zinc/34/54/97/954345497.db2.gz SVNZUPNHTCTWNE-ZRJCITRHSA-N 2 0 265.401 1.103 10 0 CDAERP C[N@H+](C[C@H](O)CN1CCC(c2ncccn2)CC1)C1CC1 ZINC001364519825 954732307 /nfs/dbraw/zinc/73/23/07/954732307.db2.gz WXGRGTDCHFQSBM-HNNXBMFYSA-N 2 0 290.411 1.111 10 0 CDAERP C(C1CC1)[NH+]1CCC([NH2+][C@@H]2CCC3(C2)OCCO3)CC1 ZINC001364650446 954957252 /nfs/dbraw/zinc/95/72/52/954957252.db2.gz QFBOWIJQYAHYCJ-OAHLLOKOSA-N 2 0 280.412 1.746 10 0 CDAERP C[NH+](C)C1(C(=O)N2CCC3(C[NH+](C)C3)C2)CCCC1 ZINC001297229280 954988557 /nfs/dbraw/zinc/98/85/57/954988557.db2.gz UOHUGIJHGXNMHV-UHFFFAOYSA-N 2 0 265.401 1.025 10 0 CDAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC1CCCC1 ZINC001491578617 955296810 /nfs/dbraw/zinc/29/68/10/955296810.db2.gz FWABYILNQIYODL-UONOGXRCSA-N 2 0 281.444 1.613 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCC ZINC001421636368 955444469 /nfs/dbraw/zinc/44/44/69/955444469.db2.gz NIGQZOSZJVHALG-CABCVRRESA-N 2 0 281.444 1.804 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NCCC[C@H]2CCC[NH+]2CCF)C1 ZINC001492178953 955668833 /nfs/dbraw/zinc/66/88/33/955668833.db2.gz SRXBXKZHVMRPHM-KGLIPLIRSA-N 2 0 285.407 1.268 10 0 CDAERP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[C@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001365223469 955746165 /nfs/dbraw/zinc/74/61/65/955746165.db2.gz YJPBFLUQECAHFU-JJXSEGSLSA-N 2 0 293.455 1.707 10 0 CDAERP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](C)CN2CCOCC2)CC1 ZINC001365269687 955798085 /nfs/dbraw/zinc/79/80/85/955798085.db2.gz UXZANCFHCYJALE-INIZCTEOSA-N 2 0 297.487 1.759 10 0 CDAERP CC[N@H+](C)[C@@H]1CCN(C(=O)NCC[NH+]2CCC(C)(C)C2)C1 ZINC001365284231 955827133 /nfs/dbraw/zinc/82/71/33/955827133.db2.gz SYURYBFINWZZRR-CQSZACIVSA-N 2 0 296.459 1.454 10 0 CDAERP CCOCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001329516700 955963814 /nfs/dbraw/zinc/96/38/14/955963814.db2.gz SDGPRWMHAMSBGQ-KKUMJFAQSA-N 2 0 299.459 1.190 10 0 CDAERP Cc1noc(C)c1C[NH2+][C@@H](C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001422387426 955975968 /nfs/dbraw/zinc/97/59/68/955975968.db2.gz NSOYHYXPPQYDMK-QWRGUYRKSA-N 2 0 296.415 1.226 10 0 CDAERP C[C@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]C/C=C/Cl ZINC001422448851 956012668 /nfs/dbraw/zinc/01/26/68/956012668.db2.gz YAHOIQQVXMNDTE-WTIVYXKASA-N 2 0 273.808 1.318 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001316845568 956255500 /nfs/dbraw/zinc/25/55/00/956255500.db2.gz KLGRKIRGHNBKFF-CQSZACIVSA-N 2 0 283.460 1.812 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001494073388 972171830 /nfs/dbraw/zinc/17/18/30/972171830.db2.gz JCFRUGSKJBJUJA-OAHLLOKOSA-N 2 0 293.455 1.566 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001365973872 956480713 /nfs/dbraw/zinc/48/07/13/956480713.db2.gz GGXVBXLVOIXEDF-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]([NH2+]C/C=C\Cl)C2CC2)C1 ZINC001366055724 956535931 /nfs/dbraw/zinc/53/59/31/956535931.db2.gz MTNBPTKZZONNAB-IIQFCBPVSA-N 2 0 299.846 1.565 10 0 CDAERP CC1CC(C[NH+]2CC(N(C)C(=O)CCC[NH+](C)C)C2)C1 ZINC001423407450 956764275 /nfs/dbraw/zinc/76/42/75/956764275.db2.gz CADVLGLOQSWXKC-UHFFFAOYSA-N 2 0 281.444 1.517 10 0 CDAERP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]CC[C@@H]1CCCO1 ZINC001366513064 956896835 /nfs/dbraw/zinc/89/68/35/956896835.db2.gz XZUTWXWGMVUSFH-CABCVRRESA-N 2 0 297.443 1.136 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001366702494 957127460 /nfs/dbraw/zinc/12/74/60/957127460.db2.gz NLMKSAHQCRDYTD-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)CC[NH+](C)C)CCC1 ZINC001424196456 957152675 /nfs/dbraw/zinc/15/26/75/957152675.db2.gz KIIOGDCHJJKKID-GFCCVEGCSA-N 2 0 273.396 1.315 10 0 CDAERP C[C@@H](F)CC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)C1CC1 ZINC001366742336 957156840 /nfs/dbraw/zinc/15/68/40/957156840.db2.gz MAHYFWUCAMDKNX-UKRRQHHQSA-N 2 0 299.434 1.799 10 0 CDAERP C[C@H](F)CC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)C1CC1 ZINC001366742333 957158683 /nfs/dbraw/zinc/15/86/83/957158683.db2.gz MAHYFWUCAMDKNX-DZGCQCFKSA-N 2 0 299.434 1.799 10 0 CDAERP CCCCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001316986018 957183839 /nfs/dbraw/zinc/18/38/39/957183839.db2.gz JTQKXOIRCWMNEL-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@H](C(=O)NC1CC(C[NH2+]C(C)C)C1)[NH+](CC)CC ZINC001424743031 957327034 /nfs/dbraw/zinc/32/70/34/957327034.db2.gz TXVSMFHSMPWHLQ-YMAMQOFZSA-N 2 0 283.460 2.000 10 0 CDAERP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)[C@H](C)[NH2+]C/C=C\Cl ZINC001424807520 957363452 /nfs/dbraw/zinc/36/34/52/957363452.db2.gz XBQIWPOIVWPNQF-HJLXKUKWSA-N 2 0 287.835 1.706 10 0 CDAERP CC/C=C\CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001317261333 957388611 /nfs/dbraw/zinc/38/86/11/957388611.db2.gz HAXIQSSXEVETFR-JGUVHBTRSA-N 2 0 281.444 1.921 10 0 CDAERP C[N@H+](CC(=O)N1CC[C@H](C[NH2+]CCC2CC2)C1)C1CCC1 ZINC001317323355 957422439 /nfs/dbraw/zinc/42/24/39/957422439.db2.gz RLKSCUJYENJMJV-OAHLLOKOSA-N 2 0 293.455 1.709 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](C[NH2+]CCCF)C2)C1 ZINC001317339207 957429871 /nfs/dbraw/zinc/42/98/71/957429871.db2.gz RFTSTEGFEWQOKA-KGLIPLIRSA-N 2 0 285.407 1.126 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001425416074 957529992 /nfs/dbraw/zinc/52/99/92/957529992.db2.gz JCEYFQLGEIRUGB-MGPQQGTHSA-N 2 0 297.418 1.315 10 0 CDAERP CSCc1n[nH]c(C[NH2+]C2CCC(C[NH3+])CC2)n1 ZINC001332420423 957557033 /nfs/dbraw/zinc/55/70/33/957557033.db2.gz LFYFXDUWLJZIHP-UHFFFAOYSA-N 2 0 269.418 1.275 10 0 CDAERP CN(CC[NH2+]C/C=C\Cl)C(=O)C1(C[NH+](C)C)CC1 ZINC001317624194 957606288 /nfs/dbraw/zinc/60/62/88/957606288.db2.gz RXSCXXACKDSFCA-DAXSKMNVSA-N 2 0 273.808 1.129 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H]1C ZINC001425932711 957645970 /nfs/dbraw/zinc/64/59/70/957645970.db2.gz DWIDEMVXSBQPIF-LSDHHAIUSA-N 2 0 283.460 1.952 10 0 CDAERP CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC[NH+](C)C ZINC001494680706 972287754 /nfs/dbraw/zinc/28/77/54/972287754.db2.gz IIODYTWFGBCUPK-STQMWFEESA-N 2 0 253.390 1.023 10 0 CDAERP CC(C)C[NH+]1CCC(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001367211893 957846924 /nfs/dbraw/zinc/84/69/24/957846924.db2.gz FXJYEAPIVIARRV-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP Cc1nocc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001367349155 957960083 /nfs/dbraw/zinc/96/00/83/957960083.db2.gz AFRWTRGCCVFBLX-RISCZKNCSA-N 2 0 294.399 1.014 10 0 CDAERP CC(C)[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CCC1CC1 ZINC001367500229 958066133 /nfs/dbraw/zinc/06/61/33/958066133.db2.gz YMSGMTUPCKRRDD-OAHLLOKOSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)C[NH2+]CCC1CC1 ZINC001319260688 958464025 /nfs/dbraw/zinc/46/40/25/958464025.db2.gz YMJWXYYJZUPNRZ-HNNXBMFYSA-N 2 0 295.471 1.860 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)C(C)C ZINC001368127227 958653659 /nfs/dbraw/zinc/65/36/59/958653659.db2.gz ZQWWEEDOPGTGND-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+]CCc2ccc(F)cc2)CC1 ZINC001319920925 958789772 /nfs/dbraw/zinc/78/97/72/958789772.db2.gz YVMOFXBXYWTZOX-UHFFFAOYSA-N 2 0 293.430 1.985 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001368507726 958912038 /nfs/dbraw/zinc/91/20/38/958912038.db2.gz AVSLAGPPVWFUTA-GJZGRUSLSA-N 2 0 281.444 1.851 10 0 CDAERP CC(C)(C(=O)N1CCC(C)([NH2+]CCF)CC1)[NH+]1CCCC1 ZINC001368659305 959023727 /nfs/dbraw/zinc/02/37/27/959023727.db2.gz DRNHYCCOWQKYRS-UHFFFAOYSA-N 2 0 299.434 1.801 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC(C)([NH2+]C[C@H](C)OC)CC1 ZINC001368664852 959028899 /nfs/dbraw/zinc/02/88/99/959028899.db2.gz SJQHNZQXMKOZTE-AWEZNQCLSA-N 2 0 299.459 1.334 10 0 CDAERP CO[C@H](C)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001368678383 959033667 /nfs/dbraw/zinc/03/36/67/959033667.db2.gz ZPVUERWJJGSYDJ-KGLIPLIRSA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CCOC(C)C ZINC001368698236 959058697 /nfs/dbraw/zinc/05/86/97/959058697.db2.gz NEOJVGYFWYCFLG-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP CC[NH2+]CC[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001320573171 959247416 /nfs/dbraw/zinc/24/74/16/959247416.db2.gz BWEGSKVCQLVQEC-CYBMUJFWSA-N 2 0 277.412 1.866 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C1C[NH+](CCC2CC2)C1)[NH+](C)C ZINC001369076080 959445339 /nfs/dbraw/zinc/44/53/39/959445339.db2.gz OURLCOZRICCHJW-IUODEOHRSA-N 2 0 281.444 1.563 10 0 CDAERP CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCCC[NH+]1CC ZINC001369516594 959722940 /nfs/dbraw/zinc/72/29/40/959722940.db2.gz RWMWYUFSNXDCPL-LSDHHAIUSA-N 2 0 299.459 1.022 10 0 CDAERP C[C@H](C[NH2+]CCC1CCCC1)NC(=O)CC[NH+](C)C ZINC001321642030 959886967 /nfs/dbraw/zinc/88/69/67/959886967.db2.gz QKWQGZREWHMFFX-CYBMUJFWSA-N 2 0 269.433 1.613 10 0 CDAERP CC[C@@H](C)C[NH+]1CCC2(C[C@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001370083246 959985016 /nfs/dbraw/zinc/98/50/16/959985016.db2.gz BTFZFMMMVGVWPP-HUUCEWRRSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001370220347 960025599 /nfs/dbraw/zinc/02/55/99/960025599.db2.gz SPGDRLDJEFXACE-BPUTZDHNSA-N 2 0 295.471 1.857 10 0 CDAERP Cc1nc[nH]c1CC(=O)N[C@@H](C)C[NH2+]CC[C@@H](C)F ZINC001322060840 960071429 /nfs/dbraw/zinc/07/14/29/960071429.db2.gz XKJRJWXSLBLXOV-ZJUUUORDSA-N 2 0 270.352 1.103 10 0 CDAERP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)CC1 ZINC001335941326 960110752 /nfs/dbraw/zinc/11/07/52/960110752.db2.gz GOBUCSUCGUJCAP-KBXIAJHMSA-N 2 0 268.401 1.206 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccnc2)C1 ZINC001370720116 960188558 /nfs/dbraw/zinc/18/85/58/960188558.db2.gz OKMLCDNQUHRBLJ-GASCZTMLSA-N 2 0 290.411 1.159 10 0 CDAERP CCC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001322580545 960265654 /nfs/dbraw/zinc/26/56/54/960265654.db2.gz JXIPUPUOEJPBNP-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H](F)CC[NH2+]CCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001322589881 960267542 /nfs/dbraw/zinc/26/75/42/960267542.db2.gz BOFZFTSBRUBFQI-CQSZACIVSA-N 2 0 299.434 1.801 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[NH2+]CC(C)C ZINC001419187845 961487247 /nfs/dbraw/zinc/48/72/47/961487247.db2.gz YFADKACZZFJEGT-CABCVRRESA-N 2 0 283.460 2.000 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccsc2)C1 ZINC001419422740 961684863 /nfs/dbraw/zinc/68/48/63/961684863.db2.gz KALQMCXPKLAATM-HDJSIYSDSA-N 2 0 295.452 1.827 10 0 CDAERP C[C@H](C[NH2+]CC1CCC1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001419708131 962002305 /nfs/dbraw/zinc/00/23/05/962002305.db2.gz YBUGRQQLZDNKTG-LZWOXQAQSA-N 2 0 295.471 1.953 10 0 CDAERP C[N@H+](CCCF)[C@@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001420044355 962411482 /nfs/dbraw/zinc/41/14/82/962411482.db2.gz SMOBLZUFBBSOMN-LSDHHAIUSA-N 2 0 299.434 1.611 10 0 CDAERP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]C/C=C\Cl)C2)CC[N@@H+]1C ZINC001436955352 962525046 /nfs/dbraw/zinc/52/50/46/962525046.db2.gz YZIDJDGMINRZHF-VEGNXYMNSA-N 2 0 285.819 1.316 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cccc(F)c1 ZINC001437120874 962651875 /nfs/dbraw/zinc/65/18/75/962651875.db2.gz GQJWMAOHUMEZBW-DOMZBBRYSA-N 2 0 293.386 1.514 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)CCC1CC1 ZINC001420314316 962722116 /nfs/dbraw/zinc/72/21/16/962722116.db2.gz OPFNNUMYQYETAJ-CVEARBPZSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]C[C@H]1CCOC1 ZINC001437203370 962730068 /nfs/dbraw/zinc/73/00/68/962730068.db2.gz HSOUTPSXKTVWOV-UONOGXRCSA-N 2 0 299.459 1.095 10 0 CDAERP CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]CCF)[NH+]1CCCC1 ZINC001437262872 962775671 /nfs/dbraw/zinc/77/56/71/962775671.db2.gz GWFCWKYQOUYVOF-CHWSQXEVSA-N 2 0 273.396 1.171 10 0 CDAERP CC[N@H+](CCNC(=O)CC[NH+](C)C)C[C@@H]1CCO[C@@H](C)C1 ZINC001420429480 962900526 /nfs/dbraw/zinc/90/05/26/962900526.db2.gz YOYYDUPBOUCEGL-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP CC[N@H+](CCNC(=O)C[NH+](C)C(C)C)CC1CCOCC1 ZINC001437647320 963086281 /nfs/dbraw/zinc/08/62/81/963086281.db2.gz ANZSRSSGPYOGKU-UHFFFAOYSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NCC[C@@H]2CC[NH+](CCCF)C2)C1 ZINC001437938539 963248979 /nfs/dbraw/zinc/24/89/79/963248979.db2.gz JHCMHIUJPXKPGW-HUUCEWRRSA-N 2 0 299.434 1.516 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001437950666 963254322 /nfs/dbraw/zinc/25/43/22/963254322.db2.gz XBDQSLYWBYFEDV-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP CC[C@@H](C[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)OC ZINC001437995618 963277159 /nfs/dbraw/zinc/27/71/59/963277159.db2.gz WXAWNURSWHGIPK-GJZGRUSLSA-N 2 0 299.459 1.143 10 0 CDAERP C[C@H](F)CC[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001420966521 963389270 /nfs/dbraw/zinc/38/92/70/963389270.db2.gz ALIZKCUJCZKINI-ZDUSSCGKSA-N 2 0 299.434 1.847 10 0 CDAERP Cc1ncc(C[NH2+]C[C@H]2CCCN2C(=O)CC[NH+](C)C)o1 ZINC001421129830 963466867 /nfs/dbraw/zinc/46/68/67/963466867.db2.gz OULYRAUTINAQII-CYBMUJFWSA-N 2 0 294.399 1.015 10 0 CDAERP Cc1cnc(C[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C(C)C)s1 ZINC001439286355 963699378 /nfs/dbraw/zinc/69/93/78/963699378.db2.gz TWMOZPZKLDALGL-NSHDSACASA-N 2 0 298.456 1.386 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001439785626 963859955 /nfs/dbraw/zinc/85/99/55/963859955.db2.gz WPAVXMIRRBZPEZ-HUUCEWRRSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001440833678 964202885 /nfs/dbraw/zinc/20/28/85/964202885.db2.gz UCDJPIDGIYPRFA-KGLIPLIRSA-N 2 0 283.460 2.000 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)OCC[C@H]1CC[NH+](C)C1 ZINC001344063678 964224745 /nfs/dbraw/zinc/22/47/45/964224745.db2.gz REGLSOAYQCQVTP-KGLIPLIRSA-N 2 0 268.401 1.744 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001441393423 964494961 /nfs/dbraw/zinc/49/49/61/964494961.db2.gz DNKQLNCJJDPLJV-RBSFLKMASA-N 2 0 293.455 1.898 10 0 CDAERP O=C(N[C@H]1C[C@H]([NH2+]C/C=C\Cl)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC001441433553 964513678 /nfs/dbraw/zinc/51/36/78/964513678.db2.gz WXRFBXPRBRJIGO-KDYFGYPCSA-N 2 0 297.830 1.462 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](C/C=C/Cl)C[C@H]21 ZINC001441736314 964669581 /nfs/dbraw/zinc/66/95/81/964669581.db2.gz UFSQOWLTNGYLGV-OXSGQARISA-N 2 0 285.819 1.126 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccsc1 ZINC001442048769 964842733 /nfs/dbraw/zinc/84/27/33/964842733.db2.gz KKYBXIDUHRCKHG-DGCLKSJQSA-N 2 0 281.425 1.294 10 0 CDAERP CC(C)N(CC[N@H+](C)CCC1CC1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001442125267 964880800 /nfs/dbraw/zinc/88/08/00/964880800.db2.gz CCXFLUDUZQTREA-INIZCTEOSA-N 2 0 295.471 1.907 10 0 CDAERP C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCC[NH+]3CC=CC3)C[N@@H+]2C1 ZINC001346177092 964970098 /nfs/dbraw/zinc/97/00/98/964970098.db2.gz DMKGHVCSCVMPIY-ILXRZTDVSA-N 2 0 277.412 1.095 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001442909864 965273198 /nfs/dbraw/zinc/27/31/98/965273198.db2.gz SRCVPDLMFUBLNZ-GJZGRUSLSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@H]([NH2+]CCF)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001443131341 965364581 /nfs/dbraw/zinc/36/45/81/965364581.db2.gz BGZKUWNSNTVSNZ-ZDUSSCGKSA-N 2 0 297.418 1.268 10 0 CDAERP C[C@H](C[NH2+]CC1CCCC1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001445432956 966194893 /nfs/dbraw/zinc/19/48/93/966194893.db2.gz FEGJIGHAWUWOPR-UONOGXRCSA-N 2 0 281.444 1.613 10 0 CDAERP CC[N@H+](C)C[C@@H](C)NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001445819068 966346243 /nfs/dbraw/zinc/34/62/43/966346243.db2.gz NLDWDRPROONXRK-DOMZBBRYSA-N 2 0 287.423 1.655 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001446548789 966579061 /nfs/dbraw/zinc/57/90/61/966579061.db2.gz BRYHENRTHQNYNL-MRXNPFEDSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)CC1 ZINC001446974250 966670581 /nfs/dbraw/zinc/67/05/81/966670581.db2.gz ZKRGZIGDZLTIDU-LSDHHAIUSA-N 2 0 295.471 1.905 10 0 CDAERP CC(C)CC[N@H+](C)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001448129370 967006211 /nfs/dbraw/zinc/00/62/11/967006211.db2.gz FLABGDKHMKKYCO-CABCVRRESA-N 2 0 283.460 1.811 10 0 CDAERP CC[C@@H](C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001448424355 967107362 /nfs/dbraw/zinc/10/73/62/967107362.db2.gz BEZIGPHYDBCITH-TUVASFSCSA-N 2 0 281.444 1.278 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001465503625 969879812 /nfs/dbraw/zinc/87/98/12/969879812.db2.gz GWPJGFIQEFKIAG-MGPQQGTHSA-N 2 0 269.433 1.563 10 0 CDAERP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001467915235 970111314 /nfs/dbraw/zinc/11/13/14/970111314.db2.gz CEXMVFKBSUHMOH-ILXRZTDVSA-N 2 0 297.418 1.506 10 0 CDAERP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001468456487 970165932 /nfs/dbraw/zinc/16/59/32/970165932.db2.gz YIMHAWFRXKXLCJ-KBUPBQIOSA-N 2 0 281.444 1.658 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH+](C)C)C1(C)C ZINC001469334532 970240990 /nfs/dbraw/zinc/24/09/90/970240990.db2.gz VCKBMQVUIYDOHD-ILXRZTDVSA-N 2 0 295.471 1.952 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC001361896909 970652667 /nfs/dbraw/zinc/65/26/67/970652667.db2.gz FGTNHSSHEFGKPU-XHSDSOJGSA-N 2 0 293.455 1.804 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC001361940760 970696195 /nfs/dbraw/zinc/69/61/95/970696195.db2.gz NQZVWOHUWMEBKS-CYBMUJFWSA-N 2 0 281.444 1.565 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCCF ZINC001495567487 972540126 /nfs/dbraw/zinc/54/01/26/972540126.db2.gz RLUDEQDAGRNQPJ-ZIAGYGMSSA-N 2 0 285.407 1.411 10 0 CDAERP CC(C)CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001371543058 972544754 /nfs/dbraw/zinc/54/47/54/972544754.db2.gz FFJHHKFKUOUCAK-INIZCTEOSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[C@@H](C(=O)NCC[N@H+](C)CC[C@H](C)F)[NH+](C)C ZINC001372001119 972741039 /nfs/dbraw/zinc/74/10/39/972741039.db2.gz XNPVROQGWKLBFF-STQMWFEESA-N 2 0 275.412 1.369 10 0 CDAERP COCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001496388117 972907842 /nfs/dbraw/zinc/90/78/42/972907842.db2.gz GPKHFSGLRGQQLO-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CCCF)[NH+](C)C ZINC001372527876 972999117 /nfs/dbraw/zinc/99/91/17/972999117.db2.gz PUJSROFNASHQSN-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP CC(C)C[N@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001372811063 973155601 /nfs/dbraw/zinc/15/56/01/973155601.db2.gz YONHJGLKQDKERB-INIZCTEOSA-N 2 0 293.455 1.565 10 0 CDAERP C[C@@H](CC[NH2+]CCCF)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001497208628 973244459 /nfs/dbraw/zinc/24/44/59/973244459.db2.gz MTUIKTYCRZHDNT-AWEZNQCLSA-N 2 0 299.434 1.706 10 0 CDAERP CC(C)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001497257259 973264973 /nfs/dbraw/zinc/26/49/73/973264973.db2.gz VZLWBJVNBMRSAP-ILXRZTDVSA-N 2 0 283.460 1.857 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1CCCF ZINC001417821910 973403209 /nfs/dbraw/zinc/40/32/09/973403209.db2.gz FKDPSIHBTJMINX-LSDHHAIUSA-N 2 0 299.434 1.799 10 0 CDAERP Cc1ncc(C[NH2+]C/C=C/CNC(=O)CC[NH+](C)C)s1 ZINC001497675336 973461974 /nfs/dbraw/zinc/46/19/74/973461974.db2.gz OTAKSUDNCNAYOZ-SNAWJCMRSA-N 2 0 296.440 1.165 10 0 CDAERP C[NH+]1CCC(CC(=O)NC/C=C\C[NH2+]CCC2CC2)CC1 ZINC001497693705 973468603 /nfs/dbraw/zinc/46/86/03/973468603.db2.gz ZMEYTUAAYHIMLD-IHWYPQMZSA-N 2 0 293.455 1.780 10 0 CDAERP CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C(C)C ZINC001418034495 973539411 /nfs/dbraw/zinc/53/94/11/973539411.db2.gz FBXMAFPSSLIZEX-GASCZTMLSA-N 2 0 281.444 1.802 10 0 CDAERP CC[C@H](C(=O)NC[C@H]1CCC[N@H+](CCF)C1)[NH+](C)C ZINC001418122258 973600065 /nfs/dbraw/zinc/60/00/65/973600065.db2.gz ADKDDKIVDRIFAO-CHWSQXEVSA-N 2 0 273.396 1.124 10 0 CDAERP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)NCc1nocc1C ZINC001373779130 973637745 /nfs/dbraw/zinc/63/77/45/973637745.db2.gz HRDZHUUSVJUSED-GXTWGEPZSA-N 2 0 294.399 1.062 10 0 CDAERP CCc1onc(C)c1C[NH2+][C@@H](C)CNC(=O)CC[NH+](C)C ZINC001418267486 973709443 /nfs/dbraw/zinc/70/94/43/973709443.db2.gz LRRFBNGCCMTDAV-NSHDSACASA-N 2 0 296.415 1.091 10 0 CDAERP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1ccsc1 ZINC001418271080 973716349 /nfs/dbraw/zinc/71/63/49/973716349.db2.gz OTSHRBULFAXPIK-GFCCVEGCSA-N 2 0 295.452 1.684 10 0 CDAERP Cc1ccc(C[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C(C)C)cc1 ZINC001498197531 973736777 /nfs/dbraw/zinc/73/67/77/973736777.db2.gz OOORSURMPDJFJO-HNNXBMFYSA-N 2 0 291.439 1.930 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]([NH2+]C(C)C)C1 ZINC001418326314 973749796 /nfs/dbraw/zinc/74/97/96/973749796.db2.gz YOKDLAOQVYOENS-STQMWFEESA-N 2 0 273.396 1.265 10 0 CDAERP CC[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1cc(C)on1)[NH+](C)C ZINC001418406930 973801629 /nfs/dbraw/zinc/80/16/29/973801629.db2.gz LHDIHSUXEXEQHL-BXUZGUMPSA-N 2 0 296.415 1.308 10 0 CDAERP CC[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1nocc1C)[NH+](C)C ZINC001418428053 973818522 /nfs/dbraw/zinc/81/85/22/973818522.db2.gz UHBJWQBOIONVCB-JSGCOSHPSA-N 2 0 296.415 1.308 10 0 CDAERP C[C@@H](C[NH2+]CC1CC1)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001374269432 973865659 /nfs/dbraw/zinc/86/56/59/973865659.db2.gz PJUVSSZWVWNPNN-ZDUSSCGKSA-N 2 0 281.444 1.707 10 0 CDAERP CC/C=C/CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001498450748 973922157 /nfs/dbraw/zinc/92/21/57/973922157.db2.gz TUARLSVLJCEBRJ-KXLSMFKISA-N 2 0 281.444 1.731 10 0 CDAERP CC[C@@H](F)C[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001498460027 973927294 /nfs/dbraw/zinc/92/72/94/973927294.db2.gz YARNVLYHHSEMSA-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CC[C@@H](C)F)CC2)CC[N@@H+]1C ZINC001499230843 974217569 /nfs/dbraw/zinc/21/75/69/974217569.db2.gz KCHYZZFTVFTAAC-HZSPNIEDSA-N 2 0 299.434 1.703 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CC1)C1CC1 ZINC001375277192 974312648 /nfs/dbraw/zinc/31/26/48/974312648.db2.gz KHZLVJAVSVPTLG-CVEARBPZSA-N 2 0 293.455 1.755 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N1CCC[C@H]1C[NH2+]CC1CC1 ZINC001499900492 974329235 /nfs/dbraw/zinc/32/92/35/974329235.db2.gz DXNOIXCXTHWSFF-GJZGRUSLSA-N 2 0 299.434 1.657 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CC3)C2)C1 ZINC001375571204 974427968 /nfs/dbraw/zinc/42/79/68/974427968.db2.gz DQUKQOQKULOROX-CWRNSKLLSA-N 2 0 293.455 1.613 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001376062558 974549109 /nfs/dbraw/zinc/54/91/09/974549109.db2.gz PQCKBAUDSJFNKC-KGLIPLIRSA-N 2 0 287.423 1.655 10 0 CDAERP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001376162094 974589225 /nfs/dbraw/zinc/58/92/25/974589225.db2.gz OOSIQCZVXIJPMN-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001376166629 974591004 /nfs/dbraw/zinc/59/10/04/974591004.db2.gz PQBBZGZZRJZNAE-GJZGRUSLSA-N 2 0 299.434 1.801 10 0 CDAERP CC[NH2+]CC[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001501587331 974603084 /nfs/dbraw/zinc/60/30/84/974603084.db2.gz QWYNAZAPFRXGMO-CQSZACIVSA-N 2 0 279.428 1.463 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCF)C1CC1 ZINC001376224767 974607825 /nfs/dbraw/zinc/60/78/25/974607825.db2.gz SZODESDMAVJHMI-KBPBESRZSA-N 2 0 285.407 1.313 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CCC[C@@H](CNC(=O)Cc2ncc[nH]2)C1 ZINC001376533383 974681372 /nfs/dbraw/zinc/68/13/72/974681372.db2.gz UEHLMMXJRHIYMW-QWHCGFSZSA-N 2 0 296.390 1.529 10 0 CDAERP CC[C@H](C(=O)NCC1([NH2+]C[C@@H](F)CC)CCC1)[NH+](C)C ZINC001376808131 974777650 /nfs/dbraw/zinc/77/76/50/974777650.db2.gz GRPHWWISBWJLKO-QWHCGFSZSA-N 2 0 287.423 1.703 10 0 CDAERP O=C(NCC1([NH2+]CCC2CC2)CCC1)C12CC[NH+](CC1)C2 ZINC001376810108 974779834 /nfs/dbraw/zinc/77/98/34/974779834.db2.gz PYNQKJYDGHEGAS-UHFFFAOYSA-N 2 0 291.439 1.511 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001376900487 974808752 /nfs/dbraw/zinc/80/87/52/974808752.db2.gz HMJLNWCOXDPVNY-KBPBESRZSA-N 2 0 281.444 1.707 10 0 CDAERP C[N@H+](CCNC(=O)C[NH+]1CCCC1)CC[C@H]1CCCCO1 ZINC001377260425 974948800 /nfs/dbraw/zinc/94/88/00/974948800.db2.gz ITSBYYVYEHIPMZ-OAHLLOKOSA-N 2 0 297.443 1.089 10 0 CDAERP CC(C)C[C@H](C)C[NH+]1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001378029822 975211051 /nfs/dbraw/zinc/21/10/51/975211051.db2.gz YTFAJPZUSPYMMA-HNNXBMFYSA-N 2 0 295.471 1.812 10 0 CDAERP CC(C)[N@@H+]1C[C@@H](NC(=O)CCc2nccn2C)C(C)(C)C1 ZINC001506744855 975214083 /nfs/dbraw/zinc/21/40/83/975214083.db2.gz RDVZMRQQQWXALD-CYBMUJFWSA-N 2 0 292.427 1.588 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)CC1CCCC1 ZINC001378039394 975216601 /nfs/dbraw/zinc/21/66/01/975216601.db2.gz FBJXOAIYYMDESI-IIAWOOMASA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@@H](C)C[NH+]1CC([C@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001378524643 975376199 /nfs/dbraw/zinc/37/61/99/975376199.db2.gz AHXLILRQSHTPAJ-KGLIPLIRSA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@H](C)C[NH+]1CC([C@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001378524640 975376514 /nfs/dbraw/zinc/37/65/14/975376514.db2.gz AHXLILRQSHTPAJ-KBPBESRZSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)C1C[NH+](CCC2CC2)C1 ZINC001378584865 975405116 /nfs/dbraw/zinc/40/51/16/975405116.db2.gz JRIMOCZEXLOXOU-CYBMUJFWSA-N 2 0 281.444 1.563 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CCC(C)(C)C)CN1C(=O)CC[NH+](C)C ZINC001507318783 975413748 /nfs/dbraw/zinc/41/37/48/975413748.db2.gz JMMXBZSCCZJQGQ-KGLIPLIRSA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@@H](C(=O)N[C@]12CCC[C@H]1[N@H+](CCCF)CC2)[NH+](C)C ZINC001507350242 975427734 /nfs/dbraw/zinc/42/77/34/975427734.db2.gz LAKPXBOALUQOFQ-LZWOXQAQSA-N 2 0 299.434 1.799 10 0 CDAERP C[C@@H](F)CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCCC1 ZINC001378709297 975450903 /nfs/dbraw/zinc/45/09/03/975450903.db2.gz QTGAGMGEVGPALL-ZIAGYGMSSA-N 2 0 299.434 1.847 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H]1C[C@@H]([NH2+]CCF)C1 ZINC001397088640 975457349 /nfs/dbraw/zinc/45/73/49/975457349.db2.gz DAQLLWDIXSPDID-SYQHCUMBSA-N 2 0 285.407 1.313 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001397093680 975459227 /nfs/dbraw/zinc/45/92/27/975459227.db2.gz CISXNXKTVZPKMP-MQYQWHSLSA-N 2 0 285.407 1.171 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]([NH2+]CCCF)C(C)(C)C2)C1 ZINC001507450110 975474937 /nfs/dbraw/zinc/47/49/37/975474937.db2.gz PWJSHAWFZJOFAR-KBPBESRZSA-N 2 0 299.434 1.514 10 0 CDAERP COC[C@H](C)[NH2+][C@@H]1CCCCCN(C(=O)CC[NH+](C)C)C1 ZINC001397224500 975502496 /nfs/dbraw/zinc/50/24/96/975502496.db2.gz IUQGWZAZPFMFLI-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001401265379 975551737 /nfs/dbraw/zinc/55/17/37/975551737.db2.gz GNRYLHSEAXLYDI-CABCVRRESA-N 2 0 283.460 1.952 10 0 CDAERP CC(C)N(CC[N@H+](C)CCCF)C(=O)C[NH+]1CCCC1 ZINC001507863211 975553191 /nfs/dbraw/zinc/55/31/91/975553191.db2.gz QQQKWBIUPDVHKC-UHFFFAOYSA-N 2 0 287.423 1.611 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCC2)C1 ZINC001388757879 975579358 /nfs/dbraw/zinc/57/93/58/975579358.db2.gz VPSCHCZKNJNBKN-LSDHHAIUSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1CCC1CC1 ZINC001388818965 975608389 /nfs/dbraw/zinc/60/83/89/975608389.db2.gz CSMHZBOSEYILGT-CJNGLKHVSA-N 2 0 293.455 1.850 10 0 CDAERP CC(C)C[N@H+](C)CCN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001401365878 975619502 /nfs/dbraw/zinc/61/95/02/975619502.db2.gz DBFHLEKBNOFJRQ-HNNXBMFYSA-N 2 0 283.460 1.907 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001401383085 975634011 /nfs/dbraw/zinc/63/40/11/975634011.db2.gz KOWWYFAQAZSZHZ-KBPBESRZSA-N 2 0 287.423 1.467 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001397623942 975659866 /nfs/dbraw/zinc/65/98/66/975659866.db2.gz HUTYGJXCJHHODA-KCQAQPDRSA-N 2 0 299.434 1.561 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@@H]21 ZINC001401460043 975670663 /nfs/dbraw/zinc/67/06/63/975670663.db2.gz CQLWCMHZMRUFES-HOTGVXAUSA-N 2 0 295.471 1.905 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+](C)C ZINC001397725967 975690042 /nfs/dbraw/zinc/69/00/42/975690042.db2.gz OBAYROHWWJIUCV-CABCVRRESA-N 2 0 283.460 1.811 10 0 CDAERP CN(C(=O)CC[C@H]1CCC[N@@H+]1C)C1CCN(CCF)CC1 ZINC001389339449 975774524 /nfs/dbraw/zinc/77/45/24/975774524.db2.gz VNCHFTUKBBYUPG-CQSZACIVSA-N 2 0 299.434 1.753 10 0 CDAERP C[C@H](CC(=O)N[C@H]1CCC[N@H+](CCCF)C1)n1ccnc1 ZINC001389387275 975798186 /nfs/dbraw/zinc/79/81/86/975798186.db2.gz XWPXNBVRLHRXEW-KGLIPLIRSA-N 2 0 296.390 1.774 10 0 CDAERP CC(C)C[C@H](C)C[NH2+]C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001401716670 975823480 /nfs/dbraw/zinc/82/34/80/975823480.db2.gz IMEWJCXYVDPDLQ-GJZGRUSLSA-N 2 0 295.471 1.859 10 0 CDAERP CCc1nocc1C[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+](C)C ZINC001405852179 975907985 /nfs/dbraw/zinc/90/79/85/975907985.db2.gz OCPUOMFFYDQSQK-GFCCVEGCSA-N 2 0 296.415 1.125 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccccc1 ZINC001405914726 975935259 /nfs/dbraw/zinc/93/52/59/975935259.db2.gz MTVQLAUQRRJVPO-HNNXBMFYSA-N 2 0 291.439 1.963 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001398343214 975951345 /nfs/dbraw/zinc/95/13/45/975951345.db2.gz PJLHUCAPERLFIG-CVEARBPZSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001379679072 976006550 /nfs/dbraw/zinc/00/65/50/976006550.db2.gz ABEBKBSPSIGUBG-HUUCEWRRSA-N 2 0 283.460 1.857 10 0 CDAERP CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+](C)C(C)C)C1 ZINC001390166320 976151559 /nfs/dbraw/zinc/15/15/59/976151559.db2.gz ZMTKHDYDZRCQPZ-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+](C)C(C)C)C1 ZINC001390166323 976151767 /nfs/dbraw/zinc/15/17/67/976151767.db2.gz ZMTKHDYDZRCQPZ-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP Cc1nc(C)c(C[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C(C)C)o1 ZINC001406430474 976179774 /nfs/dbraw/zinc/17/97/74/976179774.db2.gz LQMLWKVYCCDQHQ-LLVKDONJSA-N 2 0 296.415 1.226 10 0 CDAERP CC[C@H](C(=O)NCC1([NH2+]Cc2cncs2)CC1)[NH+](C)C ZINC001380109722 976249753 /nfs/dbraw/zinc/24/97/53/976249753.db2.gz ZLTGIFXWYYWSQH-GFCCVEGCSA-N 2 0 296.440 1.222 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001380134822 976258002 /nfs/dbraw/zinc/25/80/02/976258002.db2.gz PUUCFDZOQPPENP-MELADBBJSA-N 2 0 299.434 1.703 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCOC ZINC001402472423 976299389 /nfs/dbraw/zinc/29/93/89/976299389.db2.gz IJLJFOFBPMKZEG-CABCVRRESA-N 2 0 297.443 1.040 10 0 CDAERP CC[C@@H](F)C[N@@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001402477861 976303778 /nfs/dbraw/zinc/30/37/78/976303778.db2.gz ZBRMHUWIRKNMGV-RRFJBIMHSA-N 2 0 299.434 1.609 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CCCC1 ZINC001380313626 976343738 /nfs/dbraw/zinc/34/37/38/976343738.db2.gz GZBBOSKHOGIYFP-HOTGVXAUSA-N 2 0 293.455 1.613 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]C[C@H]2CCCCO2)C1 ZINC001399225415 976388833 /nfs/dbraw/zinc/38/88/33/976388833.db2.gz ONQZZHSUVRUUEV-LSDHHAIUSA-N 2 0 297.443 1.086 10 0 CDAERP CCC(CC)C[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001406783188 976405491 /nfs/dbraw/zinc/40/54/91/976405491.db2.gz GZKLHMIVMWNIQY-JKSUJKDBSA-N 2 0 295.471 1.859 10 0 CDAERP C[C@@H](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CCC1CC1 ZINC001390717275 976451539 /nfs/dbraw/zinc/45/15/39/976451539.db2.gz VWPQSSWSRAMKMF-ZFWWWQNUSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@H](F)C[NH2+][C@H](C)CCNC(=O)C[NH+]1CCCC1 ZINC001390719031 976452797 /nfs/dbraw/zinc/45/27/97/976452797.db2.gz LMZMTXJGAVFPME-OLZOCXBDSA-N 2 0 273.396 1.315 10 0 CDAERP C[C@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC1CC(C)C1 ZINC001399416082 976472902 /nfs/dbraw/zinc/47/29/02/976472902.db2.gz NKRQVHSFBRPEMF-SHARSMKWSA-N 2 0 293.455 1.613 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCOC ZINC001380754924 976533140 /nfs/dbraw/zinc/53/31/40/976533140.db2.gz BXOKYWGUFYKMLY-GJZGRUSLSA-N 2 0 297.443 1.040 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001402850616 976534521 /nfs/dbraw/zinc/53/45/21/976534521.db2.gz KBLSXXQHDZLSLZ-AWEZNQCLSA-N 2 0 281.444 1.613 10 0 CDAERP CC[N@H+](C)CCC(=O)NCC[NH+](C)CC1CC2(CCC2)C1 ZINC001390847420 976556015 /nfs/dbraw/zinc/55/60/15/976556015.db2.gz XEZZSQGWVDPCHG-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccccc1 ZINC001402899587 976571922 /nfs/dbraw/zinc/57/19/22/976571922.db2.gz ZYDJXXADZRAVBL-IIAWOOMASA-N 2 0 289.423 1.621 10 0 CDAERP CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1ccsc1)[NH+](C)C ZINC001402910094 976582145 /nfs/dbraw/zinc/58/21/45/976582145.db2.gz KDXNODKUOFCTAY-JSGCOSHPSA-N 2 0 297.468 1.929 10 0 CDAERP CC(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001402933703 976599080 /nfs/dbraw/zinc/59/90/80/976599080.db2.gz MCOJDDVBSGBKHQ-HOTGVXAUSA-N 2 0 295.471 1.907 10 0 CDAERP O=C(CC[NH+]1CCCCC1)NC1CC(C[NH2+]CC2CC2)C1 ZINC001402948921 976611877 /nfs/dbraw/zinc/61/18/77/976611877.db2.gz IZTCOCFXRAPIJC-UHFFFAOYSA-N 2 0 293.455 1.757 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC[N@H+](C)CCCF)C1 ZINC001399639101 976613837 /nfs/dbraw/zinc/61/38/37/976613837.db2.gz IQHNMNYFGSYJOX-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP Cc1nc(C[NH2+][C@@H](C)CNC(=O)CC[NH+](C)C)sc1C ZINC001402985070 976644348 /nfs/dbraw/zinc/64/43/48/976644348.db2.gz BAVFYXWZZFWVBV-JTQLQIEISA-N 2 0 298.456 1.306 10 0 CDAERP CC[NH2+][C@H](C)[C@H](C)NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001403035136 976673879 /nfs/dbraw/zinc/67/38/79/976673879.db2.gz XSUFXLFCIPUNBN-CABCVRRESA-N 2 0 291.439 1.664 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001403074025 976692615 /nfs/dbraw/zinc/69/26/15/976692615.db2.gz HOEAIPUOSJXFPR-KGLIPLIRSA-N 2 0 299.459 1.238 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CCNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001391321364 976813325 /nfs/dbraw/zinc/81/33/25/976813325.db2.gz DBVFKSDXGCIOCZ-HOTGVXAUSA-N 2 0 295.471 1.812 10 0 CDAERP CC[C@@H](F)C[N@H+](C)[C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001381529318 976894378 /nfs/dbraw/zinc/89/43/78/976894378.db2.gz IFRJQVAAAFIVDF-QWHCGFSZSA-N 2 0 287.423 1.655 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H]2C[NH+](C(C)C)C[C@@H]2C1 ZINC001403419354 976942407 /nfs/dbraw/zinc/94/24/07/976942407.db2.gz QBLJOURBBGBYFO-HRCADAONSA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cncs1 ZINC001391661750 977029045 /nfs/dbraw/zinc/02/90/45/977029045.db2.gz JXGPBNHAWPKXPQ-DGCLKSJQSA-N 2 0 296.440 1.222 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]C/C=C\Cl ZINC001391689644 977047732 /nfs/dbraw/zinc/04/77/32/977047732.db2.gz GAOYUOXBCQHXRX-SEXYQANYSA-N 2 0 287.835 1.564 10 0 CDAERP C[C@@H](F)CC[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001403557576 977063324 /nfs/dbraw/zinc/06/33/24/977063324.db2.gz PWBRTJXUYYUCKK-OLZOCXBDSA-N 2 0 287.423 1.655 10 0 CDAERP CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ocnc1C)[NH+](C)C ZINC001391937769 977157289 /nfs/dbraw/zinc/15/72/89/977157289.db2.gz QLDLQPJJMRLTRD-AAEUAGOBSA-N 2 0 296.415 1.165 10 0 CDAERP C[N@H+](CCNC(=O)C[NH+]1CCCC1)CC1CC2(CCC2)C1 ZINC001403764224 977181812 /nfs/dbraw/zinc/18/18/12/977181812.db2.gz JMDKVZUKRIWFEL-UHFFFAOYSA-N 2 0 293.455 1.711 10 0 CDAERP CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@H+](C)CCC)C[C@H]21 ZINC001403789389 977193575 /nfs/dbraw/zinc/19/35/75/977193575.db2.gz QDUDLBRSJFZKQM-BZUAXINKSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001392076450 977213350 /nfs/dbraw/zinc/21/33/50/977213350.db2.gz UAPZFJUBRXZKFC-QWHCGFSZSA-N 2 0 287.423 1.655 10 0 CDAERP CC(C)CCC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001392265844 977293536 /nfs/dbraw/zinc/29/35/36/977293536.db2.gz ORAKIEFMUAIZHA-OAHLLOKOSA-N 2 0 283.460 1.907 10 0 CDAERP Cc1ccccc1C[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C ZINC001392589427 977489180 /nfs/dbraw/zinc/48/91/80/977489180.db2.gz CIBVCODBHCOMQX-AWEZNQCLSA-N 2 0 277.412 1.541 10 0 CDAERP CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001393245436 977744435 /nfs/dbraw/zinc/74/44/35/977744435.db2.gz WCGVTFLSHALXJK-LBPRGKRZSA-N 2 0 289.370 1.176 10 0 CDAERP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C[NH2+]CC1CCC1 ZINC001393391654 977776277 /nfs/dbraw/zinc/77/62/77/977776277.db2.gz CTSCMUKCHLXVMI-ZBFHGGJFSA-N 2 0 295.471 1.812 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCCF ZINC001393465071 977794438 /nfs/dbraw/zinc/79/44/38/977794438.db2.gz ONOOTJHYWIKDGW-HUUCEWRRSA-N 2 0 299.434 1.753 10 0 CDAERP CC(C)CC[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001393741947 977906076 /nfs/dbraw/zinc/90/60/76/977906076.db2.gz CUJQJHXOHRNGFT-GJZGRUSLSA-N 2 0 281.444 1.565 10 0 CDAERP CN(C[C@@H]1CC[N@@H+]1CCC(C)(C)C)C(=O)CC[NH+](C)C ZINC001396991676 978569538 /nfs/dbraw/zinc/56/95/38/978569538.db2.gz IZRWXRKFNYLMMK-AWEZNQCLSA-N 2 0 283.460 1.907 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)NC1CC(C[NH2+]C/C=C/Cl)C1 ZINC001674554991 1173962340 /nfs/dbraw/zinc/96/23/40/1173962340.db2.gz WRHGBHCIROHDOM-WGWZQRDBSA-N 2 0 299.846 1.708 10 0 CDAERP CCC[NH2+]CCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001675973730 1174170001 /nfs/dbraw/zinc/17/00/01/1174170001.db2.gz MZXPSHXERQUMBR-ZIAGYGMSSA-N 2 0 269.433 1.613 10 0 CDAERP CCOCC[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001676815777 1174276616 /nfs/dbraw/zinc/27/66/16/1174276616.db2.gz NZVQHOFOQNUWHE-ZBFHGGJFSA-N 2 0 297.443 1.088 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](CC[NH2+]CC3CCC3)C2)C1 ZINC001570019830 1170060410 /nfs/dbraw/zinc/06/04/10/1170060410.db2.gz WHXLABQCUMFPQD-HZPDHXFCSA-N 2 0 293.455 1.566 10 0 CDAERP COCCC[NH+]1CC([C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001570843356 1170298704 /nfs/dbraw/zinc/29/87/04/1170298704.db2.gz GZUNMRHUPCJGBV-ZFWWWQNUSA-N 2 0 299.459 1.046 10 0 CDAERP CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001570952399 1170323418 /nfs/dbraw/zinc/32/34/18/1170323418.db2.gz LUKJULOBRDIHSP-ZSOGYDGISA-N 2 0 267.417 1.032 10 0 CDAERP CCCC[NH2+][C@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CC1(C)C ZINC001571565892 1170479007 /nfs/dbraw/zinc/47/90/07/1170479007.db2.gz HUBLCFUSLVYADS-KBPBESRZSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000094647984 342456491 /nfs/dbraw/zinc/45/64/91/342456491.db2.gz IVDDSZQTBGYRQK-HZSPNIEDSA-N 2 0 267.417 1.221 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000601006641 342458746 /nfs/dbraw/zinc/45/87/46/342458746.db2.gz NNJLNUYZPDKDMQ-HOTGVXAUSA-N 2 0 293.455 1.948 10 0 CDAERP CN(Cc1ccccc1)C[C@@H](O)C[NH+]1CCCCC1 ZINC000309601443 341993202 /nfs/dbraw/zinc/99/32/02/341993202.db2.gz STMOERJDOHKLMZ-MRXNPFEDSA-N 2 0 262.397 1.965 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000618547091 349478443 /nfs/dbraw/zinc/47/84/43/349478443.db2.gz ASMSPWKSHJOGNP-AWEZNQCLSA-N 2 0 296.459 1.644 10 0 CDAERP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000650743634 398172752 /nfs/dbraw/zinc/17/27/52/398172752.db2.gz YAHHPAQSBBRWOY-GFCCVEGCSA-N 2 0 296.436 1.870 10 0 CDAERP C[NH2+]Cc1ccccc1C[NH2+][C@@H](CCC[NH3+])COC ZINC000650755963 398179398 /nfs/dbraw/zinc/17/93/98/398179398.db2.gz QKKCOUAXSAPKDX-HNNXBMFYSA-N 3 0 265.401 1.250 10 0 CDAERP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000650758749 398181686 /nfs/dbraw/zinc/18/16/86/398181686.db2.gz XAQXUXXRLMMYTR-BBRMVZONSA-N 3 0 261.413 1.978 10 0 CDAERP COC[C@H](C)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000650723597 398162578 /nfs/dbraw/zinc/16/25/78/398162578.db2.gz QNLLVLHFUQOCFQ-TUVASFSCSA-N 2 0 270.417 1.630 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCc2c1ccc(=O)n2C ZINC000650764781 398185460 /nfs/dbraw/zinc/18/54/60/398185460.db2.gz NDMGZBFOXXDBIO-TZMCWYRMSA-N 2 0 277.412 1.870 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000709550576 784122793 /nfs/dbraw/zinc/12/27/93/784122793.db2.gz NMODTXJSDZDHAV-DYEKYZERSA-N 2 0 253.390 1.118 10 0 CDAERP CN(CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](O)CC1(O)CCC1 ZINC000625188976 342039252 /nfs/dbraw/zinc/03/92/52/342039252.db2.gz IHEUKONUICTDGP-GJZGRUSLSA-N 2 0 284.444 1.459 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)CC[C@@H]2CCCC[NH+]2C)C[N@@H+]1C1CC1 ZINC000354649949 365605433 /nfs/dbraw/zinc/60/54/33/365605433.db2.gz LDUZBZAHKLUATR-KFWWJZLASA-N 2 0 293.455 1.992 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000617013679 342605037 /nfs/dbraw/zinc/60/50/37/342605037.db2.gz YWTOWWNFEJEXQU-RYUDHWBXSA-N 2 0 253.390 1.070 10 0 CDAERP CCOC(=O)COCC[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000351711296 361884497 /nfs/dbraw/zinc/88/44/97/361884497.db2.gz HELUGJZWFPIMNK-KBPBESRZSA-N 2 0 286.416 1.228 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC1CC[NH+](C(C)(C)C)CC1 ZINC000629390911 361915860 /nfs/dbraw/zinc/91/58/60/361915860.db2.gz ZCQJLIITENSGMI-UONOGXRCSA-N 2 0 253.434 1.979 10 0 CDAERP CC[C@H]1CN(C(=O)C2CCC(C[NH3+])CC2)CC[N@@H+]1C ZINC000097031652 185154736 /nfs/dbraw/zinc/15/47/36/185154736.db2.gz NGMIXQQMFHJIAI-RUXDESIVSA-N 2 0 267.417 1.304 10 0 CDAERP C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H]1c1ccccc1 ZINC000534017047 282161607 /nfs/dbraw/zinc/16/16/07/282161607.db2.gz COEOGYZGDFELPD-XHSDSOJGSA-N 2 0 287.407 1.500 10 0 CDAERP OCC1(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CCCC1 ZINC000622043619 342226341 /nfs/dbraw/zinc/22/63/41/342226341.db2.gz FTLDTEMFDKGQEW-SOUVJXGZSA-N 2 0 282.428 1.286 10 0 CDAERP NC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000339070059 539067597 /nfs/dbraw/zinc/06/75/97/539067597.db2.gz WANOPBCDTWDHOZ-ZOBORPQBSA-N 2 0 265.401 1.247 10 0 CDAERP CC(C)[C@@H]1CC[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000353511482 539098199 /nfs/dbraw/zinc/09/81/99/539098199.db2.gz BNSPNTKWASWNBF-ILXRZTDVSA-N 2 0 281.444 1.598 10 0 CDAERP C[NH+](CCC[N@@H+](C)C1CCOCC1)C1CCOCC1 ZINC000534276021 282174127 /nfs/dbraw/zinc/17/41/27/282174127.db2.gz ZBMPWXCOOOTBIL-UHFFFAOYSA-N 2 0 270.417 1.598 10 0 CDAERP COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(CC(C)(C)[NH3+])C1 ZINC000594736548 342950570 /nfs/dbraw/zinc/95/05/70/342950570.db2.gz RMASLGPKAHTAJN-BDAKNGLRSA-N 2 0 282.306 1.397 10 0 CDAERP C[C@@H](CSCCF)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000595009048 342990056 /nfs/dbraw/zinc/99/00/56/342990056.db2.gz YFEAJJSGDNNLPQ-AWEZNQCLSA-N 2 0 291.480 1.695 10 0 CDAERP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000594918187 342985966 /nfs/dbraw/zinc/98/59/66/342985966.db2.gz MNZJHJUDWOIUFG-MELADBBJSA-N 2 0 268.401 1.650 10 0 CDAERP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000594921805 342987555 /nfs/dbraw/zinc/98/75/55/342987555.db2.gz UIYJBPSYEPVIMY-KWCYVHTRSA-N 2 0 268.401 1.646 10 0 CDAERP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C[C@@]1(C)CC[NH2+]C1 ZINC000261977793 282215684 /nfs/dbraw/zinc/21/56/84/282215684.db2.gz IWGGVBRGAGPDKR-WCVJEAGWSA-N 2 0 281.444 1.170 10 0 CDAERP COc1ccc2ccccc2c1CNC[C@H]1C[NH2+]C[C@@H]1O ZINC000263157170 362107823 /nfs/dbraw/zinc/10/78/23/362107823.db2.gz DOZSEFFBQXETMN-BBRMVZONSA-N 2 0 286.375 1.518 10 0 CDAERP [NH3+]Cc1cc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)ccn1 ZINC000645105419 362119392 /nfs/dbraw/zinc/11/93/92/362119392.db2.gz NOHUGPBBXWORTQ-ZFWWWQNUSA-N 2 0 288.395 1.145 10 0 CDAERP [NH3+]C1(C[NH2+]C2C3CC4CC(C3)CC2C4)CCOCC1 ZINC000629523212 362145566 /nfs/dbraw/zinc/14/55/66/362145566.db2.gz BPOOTSQFTPMRON-UHFFFAOYSA-N 2 0 264.413 1.909 10 0 CDAERP CC(C)(C)OC(=O)NCC[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000616615903 362139919 /nfs/dbraw/zinc/13/99/19/362139919.db2.gz FFZZWLHZJCCYPJ-LBPRGKRZSA-N 2 0 271.405 1.714 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000629528189 362152601 /nfs/dbraw/zinc/15/26/01/362152601.db2.gz RTSZONLEXZDWIF-XLWJZTARSA-N 2 0 251.418 1.589 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000250354226 282244748 /nfs/dbraw/zinc/24/47/48/282244748.db2.gz XWIPXGLOOJKNAB-RBSFLKMASA-N 2 0 275.396 1.533 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](C)C[C@@H]2C)CC[N@@H+]1C ZINC000631466489 362233448 /nfs/dbraw/zinc/23/34/48/362233448.db2.gz UAYVOPBBKNYKII-BYNSBNAKSA-N 2 0 281.444 1.515 10 0 CDAERP CC(C)(C)OC(=O)N[C@@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC000253577556 362439483 /nfs/dbraw/zinc/43/94/83/362439483.db2.gz XEWWLMCXBOZEOK-GFCCVEGCSA-N 2 0 283.416 1.728 10 0 CDAERP CN(C(=O)[C@@H]1CCCC[C@]1(C)[NH3+])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000263271497 362415800 /nfs/dbraw/zinc/41/58/00/362415800.db2.gz SGEYRUZZNNQOAR-DZKIICNBSA-N 2 0 279.428 1.589 10 0 CDAERP O[C@H]1C[NH2+]C[C@H]1CNCc1c(Cl)oc2ccccc21 ZINC000263283877 362566298 /nfs/dbraw/zinc/56/62/98/362566298.db2.gz URTHVXGNZCJVKO-SKDRFNHKSA-N 2 0 280.755 1.756 10 0 CDAERP COC[C@@]1(CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)CCC[NH2+]1 ZINC000566204810 370646506 /nfs/dbraw/zinc/64/65/06/370646506.db2.gz HACBJULGYOEGKJ-HOCLYGCPSA-N 2 0 297.443 1.136 10 0 CDAERP C[NH+]1CCN(CCC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623343141 346071394 /nfs/dbraw/zinc/07/13/94/346071394.db2.gz BXCHTOTYDVJZIB-OAHLLOKOSA-N 3 0 282.476 1.086 10 0 CDAERP CC(C)[NH2+][C@@](C)(CO)CN(C)CC1CC[NH+](C)CC1 ZINC000085212891 178977385 /nfs/dbraw/zinc/97/73/85/178977385.db2.gz CPYYKYZKVDARDT-OAHLLOKOSA-N 2 0 271.449 1.009 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085359336 179031794 /nfs/dbraw/zinc/03/17/94/179031794.db2.gz SAHPPUWCHXMEAN-AGIUHOORSA-N 2 0 255.406 1.206 10 0 CDAERP CCS(=O)(=O)C[C@@H](C)[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000623418415 346348121 /nfs/dbraw/zinc/34/81/21/346348121.db2.gz QHCXGNCCLRDLGH-NEPJUHHUSA-N 2 0 276.446 1.272 10 0 CDAERP NC(=O)CC[N@@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403548 179052860 /nfs/dbraw/zinc/05/28/60/179052860.db2.gz SXBLABZOWRJVHP-CYBMUJFWSA-N 2 0 253.390 1.106 10 0 CDAERP CN(C)CC[N@@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403711 179053204 /nfs/dbraw/zinc/05/32/04/179053204.db2.gz IWFFZHLUBJYIPW-OAHLLOKOSA-N 2 0 253.434 1.792 10 0 CDAERP CC(C)Cc1nc2c(n1[C@H]1CC[N@H+](C)C1)CC[NH2+]C2 ZINC000085573218 179098511 /nfs/dbraw/zinc/09/85/11/179098511.db2.gz PVXDXGJQJSXZGR-LBPRGKRZSA-N 2 0 262.401 1.604 10 0 CDAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC000114073916 365866390 /nfs/dbraw/zinc/86/63/90/365866390.db2.gz IPIHVDMARZZTSU-JKSUJKDBSA-N 2 0 289.423 1.370 10 0 CDAERP C[NH+]1CCC(N2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000086127494 179236091 /nfs/dbraw/zinc/23/60/91/179236091.db2.gz RPOBKWCXWUCNFL-INIZCTEOSA-N 2 0 259.397 1.727 10 0 CDAERP C[NH+](C)CCOCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623494541 347603929 /nfs/dbraw/zinc/60/39/29/347603929.db2.gz UDBAKBDOHQTTLV-ZDUSSCGKSA-N 3 0 257.422 1.027 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CC2CCC(O)CC2)CC1(C)C ZINC000623572756 347639445 /nfs/dbraw/zinc/63/94/45/347639445.db2.gz MSLKNKXKSTWICU-ROKHWSDSSA-N 2 0 254.418 2.000 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CC2(N3CCOCC3)CC2)CC1(C)C ZINC000623508453 347609479 /nfs/dbraw/zinc/60/94/79/347609479.db2.gz YTWWHYGITTZOKT-CQSZACIVSA-N 2 0 281.444 1.314 10 0 CDAERP C[NH+]1CCN(CC[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CC1(C)C ZINC000623514316 347612205 /nfs/dbraw/zinc/61/22/05/347612205.db2.gz IBFPFZWFSHWDJN-HNNXBMFYSA-N 3 0 296.503 1.475 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000629536878 362951005 /nfs/dbraw/zinc/95/10/05/362951005.db2.gz IRHANZOVVSTPAB-AWEZNQCLSA-N 2 0 282.359 1.994 10 0 CDAERP Cc1ncc(CNc2c[nH+]ccc2N2CC[NH+](C)CC2)o1 ZINC000628230996 362958633 /nfs/dbraw/zinc/95/86/33/362958633.db2.gz ANAPRNKEHIYKID-UHFFFAOYSA-N 2 0 287.367 1.742 10 0 CDAERP C[NH+]1CCC(NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000336312197 282711067 /nfs/dbraw/zinc/71/10/67/282711067.db2.gz KHBFDJWURCAAPF-UHFFFAOYSA-N 2 0 251.418 1.687 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1N[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000629548401 362976986 /nfs/dbraw/zinc/97/69/86/362976986.db2.gz ZKUZRMKEILWAGC-HNKHHVNMSA-N 2 0 259.397 1.820 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621642422 350687152 /nfs/dbraw/zinc/68/71/52/350687152.db2.gz MUZJNAWLGXHZAF-LSDHHAIUSA-N 2 0 281.444 1.757 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000414704276 366001016 /nfs/dbraw/zinc/00/10/16/366001016.db2.gz MTLJZVBIYBUDEV-HZSPNIEDSA-N 2 0 267.417 1.304 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)C1 ZINC000571655161 366012981 /nfs/dbraw/zinc/01/29/81/366012981.db2.gz ZVLWWYMHTDFVRK-RBSFLKMASA-N 2 0 281.444 1.707 10 0 CDAERP C[NH2+]CCOCCN(C)CC(=O)Nc1ccc(C)cc1F ZINC000629566951 363013229 /nfs/dbraw/zinc/01/32/29/363013229.db2.gz KSLSNEPJLACAJR-UHFFFAOYSA-N 2 0 297.374 1.240 10 0 CDAERP CO[C@H](CC[NH2+]C[C@@H](O)C[NH+]1CCCC1)C(F)(F)F ZINC000629576780 363035250 /nfs/dbraw/zinc/03/52/50/363035250.db2.gz PGQUMMNJBJBQHU-GHMZBOCLSA-N 2 0 284.322 1.000 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc[nH]c2=O)[C@H]2CCC[C@H]21 ZINC000624259674 351523359 /nfs/dbraw/zinc/52/33/59/351523359.db2.gz SXXKOSNRJIVZBT-HZSPNIEDSA-N 2 0 261.369 1.750 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000659326084 412566548 /nfs/dbraw/zinc/56/65/48/412566548.db2.gz QCZYPLRGQNOEES-PEYYIBSZSA-N 2 0 287.407 1.627 10 0 CDAERP CCCCC[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001660080795 1172155747 /nfs/dbraw/zinc/15/57/47/1172155747.db2.gz HSGVRUUNOQWHNT-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP C[C@@H]1CN(C(=O)[C@H]2CC[NH2+]2)CCN1Cc1ccccc1 ZINC000396393318 366092166 /nfs/dbraw/zinc/09/21/66/366092166.db2.gz RTTPICXWXNECRM-UKRRQHHQSA-N 2 0 273.380 1.081 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)CC1=Cc2ccccc2OC1 ZINC000629655545 363259096 /nfs/dbraw/zinc/25/90/96/363259096.db2.gz ZDRUREMTUAHDDX-UHFFFAOYSA-N 2 0 276.380 1.630 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)C[C@@H](C)c1ccccc1 ZINC000629654360 363255300 /nfs/dbraw/zinc/25/53/00/363255300.db2.gz PRXZNNYWAOSPNT-CQSZACIVSA-N 2 0 250.386 1.958 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC([NH+]3CCCC3)CC2)CC[NH2+]1 ZINC000235717421 291036306 /nfs/dbraw/zinc/03/63/06/291036306.db2.gz YCCWAHMPHTWVKW-KBPBESRZSA-N 2 0 279.428 1.461 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC[N@@H+]1C ZINC000366814044 291037981 /nfs/dbraw/zinc/03/79/81/291037981.db2.gz XUVLFSIXRRYOPA-HRCADAONSA-N 2 0 293.455 1.804 10 0 CDAERP CC(C)OCC[C@H](O)C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000644606515 366237309 /nfs/dbraw/zinc/23/73/09/366237309.db2.gz KUPRSCPKMWBESK-GPANFISMSA-N 2 0 286.460 1.872 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417015164 295903019 /nfs/dbraw/zinc/90/30/19/295903019.db2.gz FCMSDYBOHHKBCI-DZGCQCFKSA-N 2 0 294.443 1.397 10 0 CDAERP CC1(C)C[NH2+]CC[C@@H](NC(=O)CC[NH2+]C2CC2)C1 ZINC000634764512 358500594 /nfs/dbraw/zinc/50/05/94/358500594.db2.gz UYBPUGLSNPPYHE-GFCCVEGCSA-N 2 0 253.390 1.023 10 0 CDAERP O=C(N1CCN2CCCC[C@H]2C1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634766638 358504033 /nfs/dbraw/zinc/50/40/33/358504033.db2.gz ORONDTKQPLXUNV-DZKIICNBSA-N 2 0 277.412 1.073 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc2c(c1)OCO2 ZINC000234797694 140231518 /nfs/dbraw/zinc/23/15/18/140231518.db2.gz BZNRHOAOFVOYFC-LBPRGKRZSA-N 2 0 266.341 1.259 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000417824051 283171948 /nfs/dbraw/zinc/17/19/48/283171948.db2.gz ZIHYHRHQLNWVHV-OLZOCXBDSA-N 2 0 270.421 1.016 10 0 CDAERP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1C[C@H]([NH+](C)C)C1(C)C ZINC000636095902 363503394 /nfs/dbraw/zinc/50/33/94/363503394.db2.gz BIMSFUSTGNQMBI-AGIUHOORSA-N 2 0 283.460 1.998 10 0 CDAERP C[C@@](O)(C[C@H](O)C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)C1CC1 ZINC000634636827 356615370 /nfs/dbraw/zinc/61/53/70/356615370.db2.gz KLQOAMICPJXMCG-WMLDXEAASA-N 2 0 298.471 1.797 10 0 CDAERP CN1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CCC1=O ZINC000353526127 283246058 /nfs/dbraw/zinc/24/60/58/283246058.db2.gz ICVSKMWZRLGHKI-XJFOESAGSA-N 2 0 265.401 1.070 10 0 CDAERP C[C@H](C[NH2+]C[C@H](O)C[C@](C)(O)C1CC1)C[NH+]1CCCC1 ZINC000634700909 357371345 /nfs/dbraw/zinc/37/13/45/357371345.db2.gz HFOUOKIIFFEREQ-BMFZPTHFSA-N 2 0 284.444 1.220 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)C[C@](C)(O)C2CC2)C1 ZINC000634707953 357388396 /nfs/dbraw/zinc/38/83/96/357388396.db2.gz NZDBLFIHIOXNKA-OIISXLGYSA-N 2 0 298.471 1.466 10 0 CDAERP COCC1([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CCOCC1 ZINC000628293846 357488456 /nfs/dbraw/zinc/48/84/56/357488456.db2.gz VCGGIAYSWHVEIT-CYBMUJFWSA-N 2 0 270.417 1.644 10 0 CDAERP Cc1nc(CC[NH3+])cc(N(C)C[C@H]2CCCC[N@@H+]2C)n1 ZINC000067790753 357627883 /nfs/dbraw/zinc/62/78/83/357627883.db2.gz DBNQDOXSZOSJLB-CQSZACIVSA-N 2 0 277.416 1.207 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000091543200 357717645 /nfs/dbraw/zinc/71/76/45/357717645.db2.gz WKSWYZQITCBPTF-HUUCEWRRSA-N 2 0 281.444 1.694 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC1CC1 ZINC001660529628 1172230344 /nfs/dbraw/zinc/23/03/44/1172230344.db2.gz ZAJLOVQQLTUDMR-UKRRQHHQSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)[NH+](CCNC(=O)c1c[nH+]ccc1N)C(C)C ZINC000126862606 358218786 /nfs/dbraw/zinc/21/87/86/358218786.db2.gz JOLHSAYFAACHQX-UHFFFAOYSA-N 2 0 264.373 1.512 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000195639345 358449334 /nfs/dbraw/zinc/44/93/34/358449334.db2.gz JMVLYEABNDSCAH-HUUCEWRRSA-N 2 0 298.475 1.748 10 0 CDAERP C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000569572925 358629063 /nfs/dbraw/zinc/62/90/63/358629063.db2.gz IWLCOYULQBNTFE-RRFJBIMHSA-N 2 0 281.444 1.694 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+][C@H]2CCCC23CC3)CC1 ZINC000572617792 358588189 /nfs/dbraw/zinc/58/81/89/358588189.db2.gz HYGALFVHDLTENX-HNNXBMFYSA-N 2 0 265.445 1.936 10 0 CDAERP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H](C)[NH2+]C)CC1 ZINC000054075551 358701207 /nfs/dbraw/zinc/70/12/07/358701207.db2.gz LBJRAPOOSHZDDE-CYBMUJFWSA-N 2 0 269.433 1.565 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000040829700 358746542 /nfs/dbraw/zinc/74/65/42/358746542.db2.gz YFKFTXDAHHDUFC-KBMXLJTQSA-N 2 0 293.455 1.898 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000054307342 358711327 /nfs/dbraw/zinc/71/13/27/358711327.db2.gz XUGJVCDVYVKOIC-CYBMUJFWSA-N 2 0 267.417 1.365 10 0 CDAERP CC[NH+](CC)CCN1CCC[C@H]1CN1CCOCC1 ZINC000119691960 359015910 /nfs/dbraw/zinc/01/59/10/359015910.db2.gz SSHOUHZQPPZWCF-HNNXBMFYSA-N 2 0 269.433 1.125 10 0 CDAERP C[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)CC1 ZINC000261843134 359067422 /nfs/dbraw/zinc/06/74/22/359067422.db2.gz ANKRJUNUEJPRHQ-ZACQAIPSSA-N 2 0 295.471 1.465 10 0 CDAERP C[C@@H](CNC1=[NH+]CCCN1)N1CCc2sccc2C1 ZINC000261879644 359074915 /nfs/dbraw/zinc/07/49/15/359074915.db2.gz QSOVPTKWNMDDFE-NSHDSACASA-N 2 0 278.425 1.434 10 0 CDAERP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC2=[NH+]CCCN2)C1 ZINC000261886260 359077796 /nfs/dbraw/zinc/07/77/96/359077796.db2.gz RZQFKFKWEPRMOL-CHWSQXEVSA-N 2 0 266.433 1.682 10 0 CDAERP c1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)cc1 ZINC000261889117 359078376 /nfs/dbraw/zinc/07/83/76/359078376.db2.gz GGXVRXKBUYPIKM-BBWFWOEESA-N 2 0 274.408 1.976 10 0 CDAERP Cc1cnn([C@H]2CCC[N@H+](C[C@@]3(C)CC[NH2+]C3)C2)c1 ZINC000261926652 359091661 /nfs/dbraw/zinc/09/16/61/359091661.db2.gz CHDIKSHKRSYSTJ-GJZGRUSLSA-N 2 0 262.401 1.828 10 0 CDAERP [NH3+]Cc1ccc(-c2noc(CC[C@H]3CC[NH2+]C3)n2)cc1 ZINC000262038231 359126495 /nfs/dbraw/zinc/12/64/95/359126495.db2.gz OVXUCZLPDKIYLK-LBPRGKRZSA-N 2 0 272.352 1.737 10 0 CDAERP C[C@@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C[C@@H]1n1ccnc1 ZINC000262101787 359134188 /nfs/dbraw/zinc/13/41/88/359134188.db2.gz VPYSQVZZOVOSMU-ILXRZTDVSA-N 2 0 262.401 1.766 10 0 CDAERP CN(CC[C@@H]1CCCC[N@@H+]1C)C[C@@]1(C)CC[NH2+]C1 ZINC000262125324 359135053 /nfs/dbraw/zinc/13/50/53/359135053.db2.gz XQMYCFJQSVZNRL-GJZGRUSLSA-N 2 0 253.434 1.792 10 0 CDAERP CC[C@@H]([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)C1CC1 ZINC000347209420 359229928 /nfs/dbraw/zinc/22/99/28/359229928.db2.gz UADNJIYOOSIQHK-CABCVRRESA-N 2 0 283.460 1.857 10 0 CDAERP C[NH2+][C@H](C)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309756456 359306138 /nfs/dbraw/zinc/30/61/38/359306138.db2.gz XEAYPKVTCQZZON-UKRRQHHQSA-N 2 0 275.396 1.233 10 0 CDAERP CCCC[C@H](CCC)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000563806053 316372958 /nfs/dbraw/zinc/37/29/58/316372958.db2.gz NRNHZGXPYBJPDS-JKSUJKDBSA-N 2 0 285.476 1.543 10 0 CDAERP C[NH+]1CCC(C(=O)NCCC[N@H+](CC2CC2)C2CC2)CC1 ZINC001660718739 1172262901 /nfs/dbraw/zinc/26/29/01/1172262901.db2.gz CEZGGFUBVPIDCT-UHFFFAOYSA-N 2 0 293.455 1.709 10 0 CDAERP CC[NH+](CC)[C@H](C)CN[C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000423084960 359749498 /nfs/dbraw/zinc/74/94/98/359749498.db2.gz JEWMUTVDIFDIIA-MJBXVCDLSA-N 2 0 257.422 1.073 10 0 CDAERP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccncc1 ZINC000423503201 359826938 /nfs/dbraw/zinc/82/69/38/359826938.db2.gz FSRZFPAYPQPLLA-OOHWJJMZSA-N 2 0 288.439 1.949 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](Cc2cncn2C)CC1 ZINC000336798751 359854523 /nfs/dbraw/zinc/85/45/23/359854523.db2.gz GGHWZWXFJXODJT-UHFFFAOYSA-N 2 0 264.417 1.974 10 0 CDAERP CC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000348158811 359863592 /nfs/dbraw/zinc/86/35/92/359863592.db2.gz IIGLZUPIYMJBKZ-CJNGLKHVSA-N 2 0 293.455 1.898 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C)[C@H](C)[C@H]1C ZINC000356904600 366624100 /nfs/dbraw/zinc/62/41/00/366624100.db2.gz QRFGDDNUFKJLRW-MGPQQGTHSA-N 2 0 267.417 1.412 10 0 CDAERP CO[C@H]1C[C@H]2C[C@H]([NH2+]CCOCC[NH+](C)C)C[C@H]2C1 ZINC000424278293 359988645 /nfs/dbraw/zinc/98/86/45/359988645.db2.gz ICQGOPMEEYHGQC-ZJIFFRHRSA-N 2 0 270.417 1.358 10 0 CDAERP Cc1nc(C)c(C[NH2+]CCCC[NH+]2CCN(C)CC2)o1 ZINC000628202354 360241005 /nfs/dbraw/zinc/24/10/05/360241005.db2.gz QAWRAFSTCRXLTD-UHFFFAOYSA-N 2 0 280.416 1.409 10 0 CDAERP Fc1ccc([C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)c2cnn[nH]2)cc1 ZINC000514930507 360403562 /nfs/dbraw/zinc/40/35/62/360403562.db2.gz MJMNZIPLQXYXOI-IAQYHMDHSA-N 2 0 289.358 1.622 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000626924040 360644306 /nfs/dbraw/zinc/64/43/06/360644306.db2.gz DSTHCGFLCZIDPK-UONOGXRCSA-N 2 0 296.459 1.691 10 0 CDAERP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1CC[NH2+][C@H]1C)CC(C)C ZINC000626929429 360647127 /nfs/dbraw/zinc/64/71/27/360647127.db2.gz MSJHDSVYHMTZCU-RRFJBIMHSA-N 2 0 298.475 1.793 10 0 CDAERP C[C@H]1CC[C@@H](NC(=O)NC2CC[NH+](C3CC3)CC2)C[NH2+]1 ZINC000626929318 360647320 /nfs/dbraw/zinc/64/73/20/360647320.db2.gz UFWIYDKSYCKMPG-WCQYABFASA-N 2 0 280.416 1.053 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000626921693 360627773 /nfs/dbraw/zinc/62/77/73/360627773.db2.gz OITXJMJFNNPHAP-OCCSQVGLSA-N 2 0 282.432 1.299 10 0 CDAERP C[C@H]1CC[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000335644884 360658805 /nfs/dbraw/zinc/65/88/05/360658805.db2.gz XBMQZOOFDXPJPO-JWMHWRSXSA-N 2 0 265.445 1.981 10 0 CDAERP C[C@@H]1CN(C(=O)[C@H](C[NH3+])c2ccccc2)C[C@@]1(C)C[NH3+] ZINC000417829155 360780528 /nfs/dbraw/zinc/78/05/28/360780528.db2.gz GCVJNCIZBUIMHK-XNRPHZJLSA-N 2 0 275.396 1.172 10 0 CDAERP C[C@@H]1CCC[C@H](C)N1C(=O)CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000582181699 361021273 /nfs/dbraw/zinc/02/12/73/361021273.db2.gz KRIIPVTZHHDKKG-HLLBOEOZSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000582181698 361021616 /nfs/dbraw/zinc/02/16/16/361021616.db2.gz KRIIPVTZHHDKKG-BFYDXBDKSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000645774329 361388802 /nfs/dbraw/zinc/38/88/02/361388802.db2.gz OURNLGMWBGWNSC-GXTWGEPZSA-N 2 0 267.417 1.365 10 0 CDAERP CC1CC[NH+](CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000339261019 361412844 /nfs/dbraw/zinc/41/28/44/361412844.db2.gz QJXJAOAXHZUTBA-GJZGRUSLSA-N 2 0 281.444 1.565 10 0 CDAERP C[N@@H+]1CC[C@@H](NC(=O)NCCC[NH3+])[C@@H]1c1ccccc1 ZINC000417945228 361483379 /nfs/dbraw/zinc/48/33/79/361483379.db2.gz QLEIQEMFLAPLPC-KGLIPLIRSA-N 2 0 276.384 1.080 10 0 CDAERP Cc1cnccc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000562519381 361549644 /nfs/dbraw/zinc/54/96/44/361549644.db2.gz REMAAKMXDGGXOR-UHFFFAOYSA-N 2 0 263.385 1.592 10 0 CDAERP CC[C@H]1C[C@H](CN(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC000566705591 316661864 /nfs/dbraw/zinc/66/18/64/316661864.db2.gz LPODUVUFUXCLCX-CVEARBPZSA-N 2 0 285.476 1.617 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000417013352 291279442 /nfs/dbraw/zinc/27/94/42/291279442.db2.gz BTQSNMFTEKTVNN-AJNGGQMLSA-N 2 0 296.459 1.486 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000336634495 363906016 /nfs/dbraw/zinc/90/60/16/363906016.db2.gz LZANRNDCXLDFRJ-KGLIPLIRSA-N 2 0 259.353 1.112 10 0 CDAERP c1[nH+]cn2cc(C[NH2+][C@H](C3CC3)[C@H]3CNCCO3)ccc12 ZINC000566555686 370762444 /nfs/dbraw/zinc/76/24/44/370762444.db2.gz MRFGYUAAKRFWMK-HZPDHXFCSA-N 2 0 286.379 1.191 10 0 CDAERP C[C@H]1C[C@@H](N(C)C(=O)C[NH+](C)C2CCC2)CC[N@@H+]1C ZINC000629963965 364280145 /nfs/dbraw/zinc/28/01/45/364280145.db2.gz YUPQDKZGUZTELI-JSGCOSHPSA-N 2 0 267.417 1.412 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCN1CCN(c2cccnn2)CC1 ZINC000162888493 364668588 /nfs/dbraw/zinc/66/85/88/364668588.db2.gz UIKBQJDBRVHWPM-AWEZNQCLSA-N 2 0 275.400 1.083 10 0 CDAERP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C)[C@H]3CCC[C@@H]32)CC[N@@H+]1C ZINC000353530283 365281062 /nfs/dbraw/zinc/28/10/62/365281062.db2.gz LQAULQVZAYSSHA-QCODTGAPSA-N 2 0 265.445 1.932 10 0 CDAERP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)[C@@H]1C[C@H]1C ZINC000414129068 241081898 /nfs/dbraw/zinc/08/18/98/241081898.db2.gz UPEBIDGMJDPDDF-IIAWOOMASA-N 2 0 267.461 1.894 10 0 CDAERP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)Cc2ccc(OC)nc2)C1 ZINC000414065136 241051088 /nfs/dbraw/zinc/05/10/88/241051088.db2.gz GOGIZYIQHDTXPE-UKRRQHHQSA-N 2 0 277.412 1.953 10 0 CDAERP C[C@@H](CCC(F)(F)F)[NH2+]CCCN1CC[NH2+]CC1 ZINC000414777794 241382269 /nfs/dbraw/zinc/38/22/69/241382269.db2.gz HKOKTMANILGNPI-NSHDSACASA-N 2 0 267.339 1.602 10 0 CDAERP C[C@H]1C[C@@H](C[N@@H+]2CCCN(c3cccnn3)CC2)CC[NH2+]1 ZINC000414694273 241331391 /nfs/dbraw/zinc/33/13/91/241331391.db2.gz NANFNIFYSUOEAC-GJZGRUSLSA-N 2 0 289.427 1.377 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)NCC2([NH3+])CCCCC2)C[NH2+]1 ZINC000627068205 367337716 /nfs/dbraw/zinc/33/77/16/367337716.db2.gz KHIQEQRVUIIJBB-VXGBXAGGSA-N 2 0 268.405 1.088 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N[C@H](C[NH3+])C2CCCCC2)C[NH2+]1 ZINC000627076684 367365374 /nfs/dbraw/zinc/36/53/74/367365374.db2.gz YEIQIRXYHGIHPG-KWCYVHTRSA-N 2 0 282.432 1.334 10 0 CDAERP CC[N@H+](CCNC(=O)NCC[NH+]1CC=C(C)CC1)C(C)C ZINC000358185707 367499310 /nfs/dbraw/zinc/49/93/10/367499310.db2.gz HPPXOYJZFQWERB-UHFFFAOYSA-N 2 0 296.459 1.668 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CC[NH+](C)C)CC(C)C ZINC000627169921 367606572 /nfs/dbraw/zinc/60/65/72/367606572.db2.gz APIFQUAMZHDQDL-UONOGXRCSA-N 2 0 284.448 1.356 10 0 CDAERP CC[C@@H]([NH3+])CNC(=O)NC1CCN(c2ccccn2)CC1 ZINC000417079117 242303912 /nfs/dbraw/zinc/30/39/12/242303912.db2.gz MZNUVGPRLGADFE-GFCCVEGCSA-N 2 0 291.399 1.087 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C[NH2+]1 ZINC000627199969 367690725 /nfs/dbraw/zinc/69/07/25/367690725.db2.gz HHASPSGHJVMVNN-ILXRZTDVSA-N 2 0 294.443 1.254 10 0 CDAERP CCC[N@H+](C)CC(=O)NCC[NH+]1CCCC[C@H]1C ZINC000358594924 367802367 /nfs/dbraw/zinc/80/23/67/367802367.db2.gz RANNXAWTMIMRGK-CYBMUJFWSA-N 2 0 255.406 1.319 10 0 CDAERP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627242166 367809849 /nfs/dbraw/zinc/80/98/49/367809849.db2.gz ODJCXYUUTSSUKV-UONOGXRCSA-N 2 0 282.432 1.254 10 0 CDAERP C[C@H](C[NH2+]CCN1CC[NH2+]CC1)Cc1ccccc1 ZINC000414861500 367828259 /nfs/dbraw/zinc/82/82/59/367828259.db2.gz FZQIHLOPWQUZTQ-HNNXBMFYSA-N 2 0 261.413 1.360 10 0 CDAERP CCC(C)(C)[NH+]1CCN(C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000627245084 367890987 /nfs/dbraw/zinc/89/09/87/367890987.db2.gz KYTHBCRNIFLUKM-QWHCGFSZSA-N 2 0 282.432 1.253 10 0 CDAERP CCC([NH3+])(CC)CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000418443599 243084623 /nfs/dbraw/zinc/08/46/23/243084623.db2.gz VEPFANUYMZBJJH-LBPRGKRZSA-N 2 0 268.405 1.040 10 0 CDAERP CC[C@H]([NH3+])CNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000418463691 243108252 /nfs/dbraw/zinc/10/82/52/243108252.db2.gz OXJGCWPRZBXLNW-MFKMUULPSA-N 2 0 264.373 1.243 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)N[C@H](C[NH3+])C2CCCC2)CC[N@@H+]1C ZINC000418586852 243243718 /nfs/dbraw/zinc/24/37/18/243243718.db2.gz FZGDPYAOQPKKPE-VHDGCEQUSA-N 2 0 296.459 1.628 10 0 CDAERP CC[C@@H]1C[N@H+](CC)CCN1C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000418570635 243223892 /nfs/dbraw/zinc/22/38/92/243223892.db2.gz IXILLHCQCUUSCV-MGPQQGTHSA-N 2 0 282.432 1.110 10 0 CDAERP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000252411986 284061774 /nfs/dbraw/zinc/06/17/74/284061774.db2.gz NOGDUKMXDVLFRZ-DGXTUMSLSA-N 2 0 291.439 1.650 10 0 CDAERP O=C(N1CC[C@H]([NH2+]CCCF)C1)C12CCC[NH+](CCC1)C2 ZINC001661321570 1172369988 /nfs/dbraw/zinc/36/99/88/1172369988.db2.gz SSVFLBMSILWAKU-AWEZNQCLSA-N 2 0 297.418 1.413 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[N@@H+]1C ZINC000541856960 368688971 /nfs/dbraw/zinc/68/89/71/368688971.db2.gz NBFNAHDKCRTIHD-ZIAGYGMSSA-N 2 0 290.411 1.507 10 0 CDAERP C[N@H+](C[C@H](O)CNc1ccc2c(c1)C[NH+](C)C2)C1CC1 ZINC000567228886 370922982 /nfs/dbraw/zinc/92/29/82/370922982.db2.gz DJCHSNYSJDKLEX-MRXNPFEDSA-N 2 0 275.396 1.499 10 0 CDAERP CC[NH+](CC)CCNC(=O)NCc1ccccc1C[NH2+]C ZINC000652117810 412776527 /nfs/dbraw/zinc/77/65/27/412776527.db2.gz ZQJGXIPFXGWVIN-UHFFFAOYSA-N 2 0 292.427 1.547 10 0 CDAERP [NH3+]Cc1ccc(-n2cc([C@@H]([NH3+])C3CCOCC3)nn2)cc1 ZINC000630593214 369344859 /nfs/dbraw/zinc/34/48/59/369344859.db2.gz BKJSLMVIGVJBNV-HNNXBMFYSA-N 2 0 287.367 1.152 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)CC[N@@H+]1C ZINC000630748233 369964755 /nfs/dbraw/zinc/96/47/55/369964755.db2.gz CXBYHDUXQMDMNW-YJNKXOJESA-N 2 0 279.428 1.460 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)CC[N@@H+]1C ZINC000630762903 369980685 /nfs/dbraw/zinc/98/06/85/369980685.db2.gz QCVGZTPJYHPLKP-APIJFGDWSA-N 2 0 279.428 1.460 10 0 CDAERP CCN1CC[C@H]([N@H+](C)C[C@@H](C)CS(C)(=O)=O)[C@H](C)C1 ZINC000119381055 370078275 /nfs/dbraw/zinc/07/82/75/370078275.db2.gz SMTDKQFMADLZBS-MCIONIFRSA-N 2 0 290.473 1.329 10 0 CDAERP CC[NH+](CC)CC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000371232633 370218632 /nfs/dbraw/zinc/21/86/32/370218632.db2.gz TYTGUGZMWXPILK-ZIAGYGMSSA-N 2 0 267.417 1.319 10 0 CDAERP CCn1ccnc1CNC(=O)NCC1([NH3+])CCCCCC1 ZINC000418239931 370321611 /nfs/dbraw/zinc/32/16/11/370321611.db2.gz BNSDQMBJBGIIJN-UHFFFAOYSA-N 2 0 293.415 1.754 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000418196855 370287801 /nfs/dbraw/zinc/28/78/01/370287801.db2.gz IKEXEOOTBKWAKR-RBSFLKMASA-N 2 0 296.459 1.500 10 0 CDAERP [NH3+]CC12CCC(CC1)CN2C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000565148111 370360208 /nfs/dbraw/zinc/36/02/08/370360208.db2.gz AZOGIANAUDMEHA-JEPKBOEPSA-N 2 0 291.439 1.637 10 0 CDAERP [NH3+]CC12CCC(CC1)CN2CC[C@H]1CCC[NH2+]C1 ZINC000565312416 370417020 /nfs/dbraw/zinc/41/70/20/370417020.db2.gz CCIMPZUJJNTUKP-WLYUNCDWSA-N 2 0 251.418 1.579 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCO[C@@H]1CCCC[C@@H]1C ZINC000422705401 245161913 /nfs/dbraw/zinc/16/19/13/245161913.db2.gz BTJGXAPLWBBDLD-SOUVJXGZSA-N 2 0 272.433 1.925 10 0 CDAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000567614273 371065482 /nfs/dbraw/zinc/06/54/82/371065482.db2.gz SCRYMNNTOYHOQX-RBSFLKMASA-N 2 0 281.444 1.374 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)COC(C)C)C1 ZINC000567685020 371098474 /nfs/dbraw/zinc/09/84/74/371098474.db2.gz UDDXNGURAYWTKA-GJZGRUSLSA-N 2 0 272.433 1.340 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000422766146 245229888 /nfs/dbraw/zinc/22/98/88/245229888.db2.gz LLSBSWAHNPVIOC-GJZGRUSLSA-N 2 0 291.439 1.734 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000422776279 245242987 /nfs/dbraw/zinc/24/29/87/245242987.db2.gz CNQDORKMSKFUGH-UONOGXRCSA-N 2 0 279.432 1.496 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)NCC1(C)CC[NH2+]CC1 ZINC000575399922 371832800 /nfs/dbraw/zinc/83/28/00/371832800.db2.gz AKKRNSJNUHZZBA-AWEZNQCLSA-N 2 0 281.444 1.757 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N1CCCC[C@H]1c1ncc[nH]1 ZINC000575284314 371797333 /nfs/dbraw/zinc/79/73/33/371797333.db2.gz LZZPPUPYNXSWIP-QWRGUYRKSA-N 2 0 250.346 1.591 10 0 CDAERP CC(C)[NH+]1CCC([NH2+][C@@H]2CCC(=O)N[C@H]2C)CC1 ZINC000336448103 371854316 /nfs/dbraw/zinc/85/43/16/371854316.db2.gz IVYFXSQDDZDDFC-WCQYABFASA-N 2 0 253.390 1.116 10 0 CDAERP C[NH2+]C[C@H]1CCCN1C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000580644851 372053479 /nfs/dbraw/zinc/05/34/79/372053479.db2.gz YTGKVHGXCSQSJN-UONOGXRCSA-N 2 0 267.417 1.461 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NCC2(C)CC[NH+](C)CC2)C1 ZINC000580724380 372281967 /nfs/dbraw/zinc/28/19/67/372281967.db2.gz YYANAYUTXYQOGU-CYBMUJFWSA-N 2 0 267.417 1.176 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCC[C@@H]1CCCC[C@@H]1O ZINC000422995753 245477616 /nfs/dbraw/zinc/47/76/16/245477616.db2.gz YYXJMZKNDNNEKU-KKUMJFAQSA-N 2 0 272.433 1.661 10 0 CDAERP C[C@@H](C(=O)N1CCC[C@H]([NH+]2CCCCC2)C1)C1C[NH2+]C1 ZINC000367608566 372650327 /nfs/dbraw/zinc/65/03/27/372650327.db2.gz RUWHVVZIJJUCCU-HIFRSBDPSA-N 2 0 279.428 1.319 10 0 CDAERP [NH3+]C/C=C\CNC(=O)NCC[NH2+]C1CCCCCC1 ZINC000638707149 372707074 /nfs/dbraw/zinc/70/70/74/372707074.db2.gz GKDNOHBOOQXIMQ-WAYWQWQTSA-N 2 0 268.405 1.113 10 0 CDAERP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415052789 372787515 /nfs/dbraw/zinc/78/75/15/372787515.db2.gz LITMPBVWRGOPQA-GYXIZQIFSA-N 3 0 294.487 1.323 10 0 CDAERP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)[C@H](n2cncn2)C1 ZINC000333239250 205144001 /nfs/dbraw/zinc/14/40/01/205144001.db2.gz DMWVIXAQZSVNHZ-ARILJUKYSA-N 2 0 277.416 1.867 10 0 CDAERP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000581438744 373014395 /nfs/dbraw/zinc/01/43/95/373014395.db2.gz ZQTHDWRUTPOHGT-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH2+][C@H](C)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000382734943 373071750 /nfs/dbraw/zinc/07/17/50/373071750.db2.gz GIXGYCGHAVKUNF-HUUCEWRRSA-N 2 0 289.423 1.717 10 0 CDAERP CC[C@H]([NH3+])CN[C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000423459710 245830573 /nfs/dbraw/zinc/83/05/73/245830573.db2.gz IGXYYNJQNQABSU-NUEKZKHPSA-N 2 0 277.412 1.815 10 0 CDAERP Cc1nc(CN2CCCN(c3cc[nH+]cc3C)CC2)no1 ZINC000192570751 373620259 /nfs/dbraw/zinc/62/02/59/373620259.db2.gz ZWIFOIJGFDNMMW-UHFFFAOYSA-N 2 0 287.367 1.794 10 0 CDAERP O=C1[C@H]([NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)CCN1C1CCC1 ZINC000631826268 373711504 /nfs/dbraw/zinc/71/15/04/373711504.db2.gz JMBUTBNOJJSDKH-GDBMZVCRSA-N 2 0 291.439 1.461 10 0 CDAERP Cc1cc(C[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)[nH]n1 ZINC000193029260 373668686 /nfs/dbraw/zinc/66/86/86/373668686.db2.gz CTPYDRXVUIUYAM-WAEYWBMLSA-N 2 0 262.401 1.864 10 0 CDAERP [NH3+]CCOCC[NH+]1CCC(Cc2nccs2)CC1 ZINC000631837810 373758061 /nfs/dbraw/zinc/75/80/61/373758061.db2.gz XGQIMQLHMTWIJC-UHFFFAOYSA-N 2 0 269.414 1.373 10 0 CDAERP C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631842612 373865517 /nfs/dbraw/zinc/86/55/17/373865517.db2.gz CPYQZSYYPKKYNT-HZSPNIEDSA-N 2 0 267.417 1.160 10 0 CDAERP CCn1nccc1CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631888946 374564340 /nfs/dbraw/zinc/56/43/40/374564340.db2.gz AAOVWFVQIXXYSG-HIFRSBDPSA-N 2 0 262.401 1.519 10 0 CDAERP COC(=O)c1occc1C[NH2+]CCCC[NH+](C)C ZINC000045664117 375069577 /nfs/dbraw/zinc/06/95/77/375069577.db2.gz XIOZRHOSWLTWRU-UHFFFAOYSA-N 2 0 254.330 1.498 10 0 CDAERP CC[NH2+]Cc1ccccc1NC(=O)N1CC([NH+](C)C)C1 ZINC000415910118 375476051 /nfs/dbraw/zinc/47/60/51/375476051.db2.gz BGDRDHCFTTVSAI-UHFFFAOYSA-N 2 0 276.384 1.574 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)CC1 ZINC000416823345 375684972 /nfs/dbraw/zinc/68/49/72/375684972.db2.gz HATWYMWYJPWEFR-OAHLLOKOSA-N 2 0 294.443 1.395 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000417009879 375715382 /nfs/dbraw/zinc/71/53/82/375715382.db2.gz NZOVSGMFAGVVFT-GHMZBOCLSA-N 2 0 292.374 1.013 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000417316665 375768329 /nfs/dbraw/zinc/76/83/29/375768329.db2.gz GAGIMOCBTAUDSX-OCCSQVGLSA-N 2 0 278.400 1.326 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000417316666 375768449 /nfs/dbraw/zinc/76/84/49/375768449.db2.gz GAGIMOCBTAUDSX-TZMCWYRMSA-N 2 0 278.400 1.326 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CC[C@@H](O)C(F)F)CC1(C)C ZINC000631215251 376013644 /nfs/dbraw/zinc/01/36/44/376013644.db2.gz OROGEEOZJREDKH-NXEZZACHSA-N 2 0 250.333 1.465 10 0 CDAERP O[C@]1(C(F)(F)F)CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420296060 376321999 /nfs/dbraw/zinc/32/19/99/376321999.db2.gz CYDSSSYVEHDCHP-WDEREUQCSA-N 2 0 266.307 1.375 10 0 CDAERP CCCCNC(=O)CC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420390959 376346155 /nfs/dbraw/zinc/34/61/55/376346155.db2.gz ICDUNDVCVVLYFA-GJZGRUSLSA-N 2 0 281.444 1.757 10 0 CDAERP C[C@H]1CC2(C[N@@H+]1C[C@@H]1CCc3ncnn31)CC[NH2+]CC2 ZINC000631829173 376667390 /nfs/dbraw/zinc/66/73/90/376667390.db2.gz JEFLMLNIDOHSRB-STQMWFEESA-N 2 0 275.400 1.229 10 0 CDAERP CC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000246978931 377028379 /nfs/dbraw/zinc/02/83/79/377028379.db2.gz JNUTZAPEAGWGSC-OCCSQVGLSA-N 2 0 278.400 1.571 10 0 CDAERP CCC(C)(C)NC(=O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248163198 377204385 /nfs/dbraw/zinc/20/43/85/377204385.db2.gz SMOBDSVJOIWBGI-UONOGXRCSA-N 2 0 281.444 1.707 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](c1ccnn1C)C(C)C ZINC000643484262 377450922 /nfs/dbraw/zinc/45/09/22/377450922.db2.gz LZPDDXHQQADTSE-ZIAGYGMSSA-N 2 0 282.432 1.503 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](c1ccnn1C)C(C)C ZINC000643484261 377451069 /nfs/dbraw/zinc/45/10/69/377451069.db2.gz LZPDDXHQQADTSE-UONOGXRCSA-N 2 0 282.432 1.503 10 0 CDAERP C[NH+]1CCC(C)(C[NH2+][C@H]2CCC(=O)NC2(C)C)CC1 ZINC000334799632 377419155 /nfs/dbraw/zinc/41/91/55/377419155.db2.gz UYWMXOWOVHUOEZ-LBPRGKRZSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@H](CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)[S@@](C)=O ZINC000252729252 377715457 /nfs/dbraw/zinc/71/54/57/377715457.db2.gz FXKCWMKIAWYCHI-KOFHJDLBSA-N 2 0 258.431 1.360 10 0 CDAERP C[N@H+](CCC1CC[NH2+]CC1)CC(=O)NC(C)(C)C ZINC000090694202 377790944 /nfs/dbraw/zinc/79/09/44/377790944.db2.gz FULZDEHZLCCKLJ-UHFFFAOYSA-N 2 0 255.406 1.223 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000632855032 377933321 /nfs/dbraw/zinc/93/33/21/377933321.db2.gz NNCGSDGCLQTOQB-HUUCEWRRSA-N 2 0 273.380 1.359 10 0 CDAERP CC[NH+](CC)C[C@H]1CCN(C(=O)CC[C@H](C)[NH3+])C1 ZINC000193320333 378274746 /nfs/dbraw/zinc/27/47/46/378274746.db2.gz URMZIUPNQBBQAF-QWHCGFSZSA-N 2 0 255.406 1.304 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000193300253 378288217 /nfs/dbraw/zinc/28/82/17/378288217.db2.gz JFKCIYFVMWCJST-LLVKDONJSA-N 2 0 253.390 1.104 10 0 CDAERP C[NH+](C)CCC[C@H]1CN(C[C@H]2CCC[N@@H+]2C)CCO1 ZINC000662325049 412892705 /nfs/dbraw/zinc/89/27/05/412892705.db2.gz BIKWGJGXEAPDDH-CABCVRRESA-N 2 0 269.433 1.123 10 0 CDAERP [NH3+]CCC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662327998 412900340 /nfs/dbraw/zinc/90/03/40/412900340.db2.gz XNYWGAQQROIOMX-UHFFFAOYSA-N 3 0 291.443 1.405 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCCCCF ZINC001662414539 1172544939 /nfs/dbraw/zinc/54/49/39/1172544939.db2.gz BCXUXRLHINGTKR-STQMWFEESA-N 2 0 273.396 1.172 10 0 CDAERP C[NH+](C)CCC[C@H]1C[N@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000662327828 412899753 /nfs/dbraw/zinc/89/97/53/412899753.db2.gz WLPCCOKHXNTKFR-INIZCTEOSA-N 3 0 283.460 1.419 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000634122001 379060191 /nfs/dbraw/zinc/06/01/91/379060191.db2.gz NSGLXFHMEJFQHA-UHFFFAOYSA-N 2 0 281.444 1.661 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000662339327 412907196 /nfs/dbraw/zinc/90/71/96/412907196.db2.gz WOPPACSOLLUREY-ARFHVFGLSA-N 2 0 295.471 1.988 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655912799 412916107 /nfs/dbraw/zinc/91/61/07/412916107.db2.gz PVDYDIJOBXBCOA-VHSXEESVSA-N 2 0 296.337 1.050 10 0 CDAERP [NH3+]C1(c2noc([C@@H](F)[C@H]3CC[NH2+]C3)n2)CCCC1 ZINC000634555531 379667063 /nfs/dbraw/zinc/66/70/63/379667063.db2.gz MNKCBCTWYNMLRC-IUCAKERBSA-N 2 0 254.309 1.418 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]CCC(C)C)C1 ZINC001662710622 1172583272 /nfs/dbraw/zinc/58/32/72/1172583272.db2.gz BDVPKUNJTLOOLU-OAHLLOKOSA-N 2 0 283.460 1.812 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655925480 412945933 /nfs/dbraw/zinc/94/59/33/412945933.db2.gz CEHNWPMFUGGGHX-UWVGGRQHSA-N 2 0 298.353 1.296 10 0 CDAERP Cc1cnc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cn1 ZINC000453389326 252309606 /nfs/dbraw/zinc/30/96/06/252309606.db2.gz CEBXTECCNQGMAY-ARFHVFGLSA-N 2 0 274.412 1.790 10 0 CDAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000263049136 285027569 /nfs/dbraw/zinc/02/75/69/285027569.db2.gz UIDFJKYCNMSYMZ-IIAWOOMASA-N 2 0 297.443 1.121 10 0 CDAERP COCC[N@@H+]1CCC[C@H]1CN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422702537 285039345 /nfs/dbraw/zinc/03/93/45/285039345.db2.gz KYVCVGQPOPBJIS-ILXRZTDVSA-N 2 0 269.433 1.217 10 0 CDAERP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000368613538 285274006 /nfs/dbraw/zinc/27/40/06/285274006.db2.gz KGYYTECWYTYXNT-ZFWWWQNUSA-N 2 0 292.427 1.614 10 0 CDAERP CC(C)C[C@@H]([NH3+])c1noc(-c2coc(C[NH3+])c2)n1 ZINC000647133045 390501823 /nfs/dbraw/zinc/50/18/23/390501823.db2.gz QIZKQIASFVBZLY-SNVBAGLBSA-N 2 0 250.302 1.834 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@H](C)[NH3+])C[C@H]1C ZINC000418700244 285390083 /nfs/dbraw/zinc/39/00/83/285390083.db2.gz FKWJWASRTBUQMY-XQHKEYJVSA-N 2 0 270.421 1.236 10 0 CDAERP CC[NH+]1CCC(C[NH2+]Cc2cncnc2OC)CC1 ZINC000647179981 390825284 /nfs/dbraw/zinc/82/52/84/390825284.db2.gz ZCHVROUNCMGPDY-UHFFFAOYSA-N 2 0 264.373 1.307 10 0 CDAERP O=C(N[C@H]1CC[NH2+]C12CCCC2)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000648211553 390953750 /nfs/dbraw/zinc/95/37/50/390953750.db2.gz VBZFRFXFGUQXFO-CVEARBPZSA-N 2 0 299.418 1.664 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N2CCC[C@H]([NH2+]C)C2)CC1 ZINC000417746288 391012488 /nfs/dbraw/zinc/01/24/88/391012488.db2.gz GWQXMPDQAZLDSF-HNNXBMFYSA-N 2 0 296.459 1.502 10 0 CDAERP C[C@H](Cc1ccccc1)C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000415102248 391028749 /nfs/dbraw/zinc/02/87/49/391028749.db2.gz DGTXYTAQYLCSIG-GDBMZVCRSA-N 2 0 262.397 1.915 10 0 CDAERP c1nc2ccccn2c1CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000647541481 390983041 /nfs/dbraw/zinc/98/30/41/390983041.db2.gz DBYYNLWXMICPMZ-MRXNPFEDSA-N 2 0 270.380 1.910 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000644836051 390991089 /nfs/dbraw/zinc/99/10/89/390991089.db2.gz LVDUMTLMRMUHNT-ZSHCYNCHSA-N 2 0 284.363 1.246 10 0 CDAERP CCC[C@H](C)C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000415126466 391034001 /nfs/dbraw/zinc/03/40/01/391034001.db2.gz MEFCQXLNFKJJIT-JSGCOSHPSA-N 2 0 265.405 1.810 10 0 CDAERP CC[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000337304182 391107781 /nfs/dbraw/zinc/10/77/81/391107781.db2.gz RGOFJAYSQNWCNW-SOUVJXGZSA-N 2 0 253.434 1.743 10 0 CDAERP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527654886 391087134 /nfs/dbraw/zinc/08/71/34/391087134.db2.gz VWMNUHIGTFRAEH-OEAJRASXSA-N 2 0 293.455 1.598 10 0 CDAERP C[C@@H](CNC(=O)N[C@@H]1CCCC[NH2+]C1)C[NH+]1CCCC1 ZINC000333843663 391109297 /nfs/dbraw/zinc/10/92/97/391109297.db2.gz VQHTYSVMDPKDGX-UONOGXRCSA-N 2 0 282.432 1.160 10 0 CDAERP CN(C(=O)CC1CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC000336557943 391170423 /nfs/dbraw/zinc/17/04/23/391170423.db2.gz ZOTKBEZSFRJDRI-UHFFFAOYSA-N 2 0 267.417 1.271 10 0 CDAERP C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)C1CC[NH2+]CC1 ZINC000647902765 391200410 /nfs/dbraw/zinc/20/04/10/391200410.db2.gz BZAFXYOVHLYYKG-HOTGVXAUSA-N 3 0 265.445 1.840 10 0 CDAERP C(C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)[C@H]1CC[NH2+]C1 ZINC000647903510 391200627 /nfs/dbraw/zinc/20/06/27/391200627.db2.gz KXTFIEJOTFOLHJ-KFWWJZLASA-N 3 0 251.418 1.450 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)[NH+](C)C ZINC000180182065 391215869 /nfs/dbraw/zinc/21/58/69/391215869.db2.gz ACORKRMMPCTGRR-ARFHVFGLSA-N 2 0 289.423 1.888 10 0 CDAERP C[NH2+]C[C@@H]1CCCN1C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000418023656 391335555 /nfs/dbraw/zinc/33/55/55/391335555.db2.gz MBNRKVJFOUNVRL-AWEZNQCLSA-N 2 0 280.416 1.032 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000418346738 391351404 /nfs/dbraw/zinc/35/14/04/391351404.db2.gz COXCOVIFOQPGAF-KWCYVHTRSA-N 2 0 282.432 1.191 10 0 CDAERP CC(C)[C@@H]1CC[C@@H]([NH2+]CCN2CC[NH2+]CC2)C[C@H]1C ZINC000414873452 391485859 /nfs/dbraw/zinc/48/58/59/391485859.db2.gz XNZSQKUSOSOUIA-OAGGEKHMSA-N 2 0 267.461 1.942 10 0 CDAERP CCc1nccn1[C@H](C)CC(=O)N1CC[NH2+]C[C@@H]1C ZINC000647711549 391463445 /nfs/dbraw/zinc/46/34/45/391463445.db2.gz FIZIOLVDGICQLN-NEPJUHHUSA-N 2 0 264.373 1.217 10 0 CDAERP COc1ccc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000527800168 391515094 /nfs/dbraw/zinc/51/50/94/391515094.db2.gz WRRAIXGJBYZMPQ-LSDHHAIUSA-N 2 0 275.396 1.849 10 0 CDAERP C[C@H](NC(=O)N[C@H]1C[NH2+]CC[C@H]1C)C(C)(C)C[NH+](C)C ZINC000417860276 391515360 /nfs/dbraw/zinc/51/53/60/391515360.db2.gz URTJMPPXRPXEGG-AGIUHOORSA-N 2 0 284.448 1.260 10 0 CDAERP CC(C)([NH3+])CC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371232534 391771659 /nfs/dbraw/zinc/77/16/59/391771659.db2.gz SSWRBEUJCQVVIF-RYUDHWBXSA-N 2 0 253.390 1.104 10 0 CDAERP CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000515730974 391788356 /nfs/dbraw/zinc/78/83/56/391788356.db2.gz RWPPFRAINITYLD-OCCSQVGLSA-N 2 0 281.444 1.706 10 0 CDAERP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000648120018 391835142 /nfs/dbraw/zinc/83/51/42/391835142.db2.gz JZEWRQAFAUIEPN-LLVKDONJSA-N 2 0 262.357 1.020 10 0 CDAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000334964567 391987526 /nfs/dbraw/zinc/98/75/26/391987526.db2.gz NTHGPPOOWGEXLY-DZGCQCFKSA-N 2 0 294.443 1.254 10 0 CDAERP Cn1nccc1-c1ccccc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000646104918 392014756 /nfs/dbraw/zinc/01/47/56/392014756.db2.gz AFQXAMOZSHIYKF-HUUCEWRRSA-N 2 0 282.391 1.738 10 0 CDAERP CC(C)[C@@H](O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000336788177 392062514 /nfs/dbraw/zinc/06/25/14/392062514.db2.gz OLGRLMLYBWYAQV-GJZGRUSLSA-N 2 0 254.418 1.954 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1[NH2+]CC1(C)C ZINC000646190355 392148244 /nfs/dbraw/zinc/14/82/44/392148244.db2.gz SOHKFPOKRYIZEF-VXGBXAGGSA-N 2 0 255.406 1.077 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000648893782 392157432 /nfs/dbraw/zinc/15/74/32/392157432.db2.gz ANUQIEZCONSGRV-ZBFHGGJFSA-N 2 0 293.455 1.994 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCn2cc(C)cn2)C[C@H]1C ZINC000336807748 392095979 /nfs/dbraw/zinc/09/59/79/392095979.db2.gz MWHZCLPCTBPQQN-CABCVRRESA-N 2 0 264.417 1.996 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000251940113 392245037 /nfs/dbraw/zinc/24/50/37/392245037.db2.gz ZNFMZMKXANDOTJ-CBBWQLFWSA-N 2 0 279.428 1.589 10 0 CDAERP C[C@H](NCC[N@H+](C)C1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000422701802 392252293 /nfs/dbraw/zinc/25/22/93/392252293.db2.gz JJWUBDOLGZDXLV-ZFWWWQNUSA-N 2 0 253.434 1.981 10 0 CDAERP C[C@H](NCC[NH+]1[C@@H](C)CCC[C@@H]1C)[C@H]1CCC[NH2+]1 ZINC000422890483 392270794 /nfs/dbraw/zinc/27/07/94/392270794.db2.gz SKMQVGNANLWLPK-ZQDZILKHSA-N 2 0 253.434 1.979 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000423092831 392337890 /nfs/dbraw/zinc/33/78/90/392337890.db2.gz DPLWWYGCMVUGSL-NDBYEHHHSA-N 2 0 254.374 1.435 10 0 CDAERP O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CC[NH+](CC2CC2)CC1 ZINC000529364601 392364663 /nfs/dbraw/zinc/36/46/63/392364663.db2.gz IEGCEHGHMQILCM-CQSZACIVSA-N 2 0 292.427 1.008 10 0 CDAERP C[C@@H](C[C@H]1COCCN1)[NH2+]Cc1ccc2cc[nH]c2n1 ZINC000423131178 392370250 /nfs/dbraw/zinc/37/02/50/392370250.db2.gz ZMVTZTLGRMLSCS-FZMZJTMJSA-N 2 0 274.368 1.420 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000423141252 392378891 /nfs/dbraw/zinc/37/88/91/392378891.db2.gz OWKRVHIPCAAFNP-WDEREUQCSA-N 2 0 250.390 1.514 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1COc2c(C)cccc2C1 ZINC000423141856 392381018 /nfs/dbraw/zinc/38/10/18/392381018.db2.gz SANSIYKQOWWRSJ-LSDHHAIUSA-N 2 0 278.396 1.642 10 0 CDAERP Cc1cn2cc(NC(=O)[C@H]3CC[NH2+][C@@H]3C)ccc2n1 ZINC000645879933 392451032 /nfs/dbraw/zinc/45/10/32/392451032.db2.gz XWQRLQKKMAJNEG-PWSUYJOCSA-N 2 0 258.325 1.579 10 0 CDAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000645889439 392473913 /nfs/dbraw/zinc/47/39/13/392473913.db2.gz JDLADWBGISTDKN-AWEZNQCLSA-N 2 0 297.362 1.596 10 0 CDAERP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C1CC(F)(F)C1 ZINC000529533560 392474202 /nfs/dbraw/zinc/47/42/02/392474202.db2.gz REQKIXLCHFXERR-ZYHUDNBSSA-N 2 0 262.344 1.467 10 0 CDAERP c1cc(C[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)cc2c1C[NH2+]C2 ZINC000423386626 392570417 /nfs/dbraw/zinc/57/04/17/392570417.db2.gz MBMBQKZRRPMGHP-SJORKVTESA-N 2 0 287.407 1.146 10 0 CDAERP CCC[C@@H](C(=O)N(C)C[C@H]1CCC[N@@H+]1CC)[NH+](C)C ZINC000127230065 392607503 /nfs/dbraw/zinc/60/75/03/392607503.db2.gz MTFFXPGUDFFVQC-KGLIPLIRSA-N 2 0 269.433 1.659 10 0 CDAERP COCCCN(C)CC[NH2+][C@@H](C)Cc1ccoc1 ZINC000449170996 392694344 /nfs/dbraw/zinc/69/43/44/392694344.db2.gz JYBSQOQVGJGIBU-ZDUSSCGKSA-N 2 0 254.374 1.769 10 0 CDAERP NC(=O)C1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000224127188 393115522 /nfs/dbraw/zinc/11/55/22/393115522.db2.gz IVBRUTKLMATXBH-MTERUZRBSA-N 2 0 293.455 1.931 10 0 CDAERP CCc1nccn1[C@H](C)CC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000648784778 393345575 /nfs/dbraw/zinc/34/55/75/393345575.db2.gz DIHYILYLJPQYAJ-KGLIPLIRSA-N 2 0 292.427 1.807 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+]C2CC(CF)(CF)C2)CC1 ZINC000657891162 413074258 /nfs/dbraw/zinc/07/42/58/413074258.db2.gz YPGSHJBEHROKQX-UHFFFAOYSA-N 2 0 262.344 1.121 10 0 CDAERP CCCCOC[C@H](O)C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000227906932 140188419 /nfs/dbraw/zinc/18/84/19/140188419.db2.gz VWRNXJSLJHSCGI-ZIAGYGMSSA-N 2 0 258.406 1.048 10 0 CDAERP C[C@H](Cn1ccnc1)NC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000235494152 140235640 /nfs/dbraw/zinc/23/56/40/140235640.db2.gz RFYYZHBLUCIKRK-NEPJUHHUSA-N 2 0 264.373 1.166 10 0 CDAERP C[NH+]1CCC(CNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000237107616 140251021 /nfs/dbraw/zinc/25/10/21/140251021.db2.gz UPSBGNOPJDUUCK-HUUCEWRRSA-N 2 0 281.444 1.742 10 0 CDAERP Cc1nccn1CCCCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000245603598 140271224 /nfs/dbraw/zinc/27/12/24/140271224.db2.gz JMGHBTYIKJZMEA-HNNXBMFYSA-N 2 0 262.401 1.752 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000246712385 140281724 /nfs/dbraw/zinc/28/17/24/140281724.db2.gz ZZIRJHGDGURQBW-GJZGRUSLSA-N 2 0 294.443 1.350 10 0 CDAERP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251383743 140307759 /nfs/dbraw/zinc/30/77/59/140307759.db2.gz QGXIGKWXOWBNIR-CBBWQLFWSA-N 2 0 279.428 1.637 10 0 CDAERP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000252367709 140318479 /nfs/dbraw/zinc/31/84/79/140318479.db2.gz CGSACSKFERGUIF-MJBXVCDLSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1c[nH+]ccc1N ZINC000261541079 140344010 /nfs/dbraw/zinc/34/40/10/140344010.db2.gz FLFREHICUDYSSG-ZDUSSCGKSA-N 2 0 298.390 1.914 10 0 CDAERP C[C@@H](C[NH3+])C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261553957 140346155 /nfs/dbraw/zinc/34/61/55/140346155.db2.gz SYOLBMZLMLJZFZ-DZGCQCFKSA-N 2 0 275.396 1.314 10 0 CDAERP C[C@H]([NH3+])CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261552888 140346393 /nfs/dbraw/zinc/34/63/93/140346393.db2.gz SAEACRUQPOYQHF-ZFWWWQNUSA-N 2 0 275.396 1.457 10 0 CDAERP C[C@@]([NH3+])(C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000261649334 140368727 /nfs/dbraw/zinc/36/87/27/140368727.db2.gz AJFKCGNRROGNIR-CJNGLKHVSA-N 2 0 275.396 1.446 10 0 CDAERP CC1(C)CN(C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC[C@@H]1[NH3+] ZINC000261698599 140377098 /nfs/dbraw/zinc/37/70/98/140377098.db2.gz BHWOZICHNRYKDP-RDBSUJKOSA-N 2 0 281.444 1.870 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+](CC=C(C)C)C1 ZINC001663633212 1172737615 /nfs/dbraw/zinc/73/76/15/1172737615.db2.gz CDIUKQSMLLGIQA-HNNXBMFYSA-N 2 0 281.444 1.733 10 0 CDAERP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656199972 413096959 /nfs/dbraw/zinc/09/69/59/413096959.db2.gz HRTZHZQBQKGOKH-LLLHUVSDSA-N 3 0 275.440 1.875 10 0 CDAERP O=C(C[C@H]1[NH2+]Cc2ccccc21)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000662566190 413133281 /nfs/dbraw/zinc/13/32/81/413133281.db2.gz TUIQDFYQYWWCSH-JKIFEVAISA-N 2 0 299.418 1.679 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000662593665 413159793 /nfs/dbraw/zinc/15/97/93/413159793.db2.gz PYMTZKFNDZAJRR-KGLIPLIRSA-N 2 0 281.444 1.613 10 0 CDAERP COC1(C[C@@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)CCC1 ZINC000429520467 292123786 /nfs/dbraw/zinc/12/37/86/292123786.db2.gz PFSBVYKUIMAHKH-CYBMUJFWSA-N 2 0 270.417 1.380 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)[C@H]([NH3+])CC2CCCCC2)C1 ZINC000388600302 397790822 /nfs/dbraw/zinc/79/08/22/397790822.db2.gz CYBRZRLQUGAQLT-ZIAGYGMSSA-N 2 0 267.417 1.495 10 0 CDAERP O=C(C[N@@H+]1CCC12CCCC2)NC1CC[NH+](C2CC2)CC1 ZINC000649656158 397889709 /nfs/dbraw/zinc/88/97/09/397889709.db2.gz BEWPXYBUFIKOGR-UHFFFAOYSA-N 2 0 291.439 1.748 10 0 CDAERP [NH3+]C1CCC(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000037649696 398099738 /nfs/dbraw/zinc/09/97/38/398099738.db2.gz GBMHSIVBKBMHCK-PNESKVBLSA-N 2 0 265.401 1.104 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000416794551 296580324 /nfs/dbraw/zinc/58/03/24/296580324.db2.gz PVGIFSBHPISESP-YPMHNXCESA-N 2 0 296.459 1.593 10 0 CDAERP CC(C)[NH+](CCNC(=O)C[C@H]1CC[NH2+]C1)C(C)C ZINC000089717452 146944448 /nfs/dbraw/zinc/94/44/48/146944448.db2.gz XSZYDHJJICEUJR-CYBMUJFWSA-N 2 0 255.406 1.221 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C1CC(CF)(CF)C1 ZINC000658105737 413204232 /nfs/dbraw/zinc/20/42/32/413204232.db2.gz DEJGMERILWGTMJ-ZDUSSCGKSA-N 2 0 291.430 1.936 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000662620774 413205967 /nfs/dbraw/zinc/20/59/67/413205967.db2.gz BCMQQTXTJIZZEZ-SRVKXCTJSA-N 2 0 253.390 1.103 10 0 CDAERP CC[NH+](CC)CC(=O)N1CCC(CC[NH2+]C)CC1 ZINC000262114522 149020971 /nfs/dbraw/zinc/02/09/71/149020971.db2.gz UZBVBTSZPAVDSN-UHFFFAOYSA-N 2 0 255.406 1.176 10 0 CDAERP [NH3+]CCCN(Cc1ccccc1)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000262462690 149066579 /nfs/dbraw/zinc/06/65/79/149066579.db2.gz MYCZKZWDOHJRNF-CVEARBPZSA-N 2 0 289.423 1.882 10 0 CDAERP CC[C@H]1CN(C(=O)CCCCCC[NH3+])CC[N@@H+]1CCOC ZINC000262671112 149093433 /nfs/dbraw/zinc/09/34/33/149093433.db2.gz OIRAHBJACMDAEV-HNNXBMFYSA-N 2 0 299.459 1.465 10 0 CDAERP CC(C)[NH2+]CCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001664309407 1172837872 /nfs/dbraw/zinc/83/78/72/1172837872.db2.gz OZVKKTDJMUZNMH-KBPBESRZSA-N 2 0 269.433 1.563 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)NCC1([NH3+])CCCC1 ZINC000662647108 413246272 /nfs/dbraw/zinc/24/62/72/413246272.db2.gz NAEGJFFFAGRTQS-ZDUSSCGKSA-N 2 0 267.417 1.639 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000335344431 150566034 /nfs/dbraw/zinc/56/60/34/150566034.db2.gz IYWAKKLQPAPACN-OCCSQVGLSA-N 2 0 267.417 1.221 10 0 CDAERP C[C@@H]([NH2+]CCCF)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001664467270 1172857380 /nfs/dbraw/zinc/85/73/80/1172857380.db2.gz IJGFARLNAYSMQW-UKRRQHHQSA-N 2 0 299.434 1.514 10 0 CDAERP COc1ccc(C[NH2+][C@@H]2CN(C)C[C@@H]2C)c(OC)c1 ZINC000343477349 152195660 /nfs/dbraw/zinc/19/56/60/152195660.db2.gz OLXLFLACKWPUIU-SMDDNHRTSA-N 2 0 264.369 1.744 10 0 CDAERP C[C@H]1CO[C@H](CO)CN1Cc1cc(-n2ccnc2)cs1 ZINC000346162419 153078649 /nfs/dbraw/zinc/07/86/49/153078649.db2.gz GJHUMIHWGZQXAQ-AAEUAGOBSA-N 2 0 293.392 1.515 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)CC[C@H](C)O ZINC000346175247 153084309 /nfs/dbraw/zinc/08/43/09/153084309.db2.gz QQKZFBPIJLVBEW-LBPRGKRZSA-N 2 0 274.368 1.778 10 0 CDAERP [NH3+][C@@H](c1cn(C2CC[NH2+]CC2)nn1)c1ccc(F)cc1 ZINC000656457490 413283112 /nfs/dbraw/zinc/28/31/12/413283112.db2.gz XDZHZKZIZPFCLT-CQSZACIVSA-N 2 0 275.331 1.390 10 0 CDAERP [NH3+]Cc1ccc(-n2cc([C@H]3CCC[NH2+]C3)nn2)cc1 ZINC000656459771 413289882 /nfs/dbraw/zinc/28/98/82/413289882.db2.gz MTSFFJQFMUFMPX-LBPRGKRZSA-N 2 0 257.341 1.193 10 0 CDAERP C[C@@H]1C[C@@H](C[N@H+](C)CCCN2CC[NH+](C)CC2)CCO1 ZINC000349331298 154092095 /nfs/dbraw/zinc/09/20/95/154092095.db2.gz LFYKJUUYVYZWGN-CVEARBPZSA-N 2 0 283.460 1.371 10 0 CDAERP C[C@H]1C[C@@H]1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000349364471 154098775 /nfs/dbraw/zinc/09/87/75/154098775.db2.gz GQEWCCFDUFEEBV-HCMIALLCSA-N 2 0 277.456 1.885 10 0 CDAERP [NH3+][C@H](C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)C1CCC1 ZINC000662687159 413313463 /nfs/dbraw/zinc/31/34/63/413313463.db2.gz UWGSKVUYDCWHTJ-GJZGRUSLSA-N 2 0 289.379 1.413 10 0 CDAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCCC[NH+]1CCOCC1 ZINC000355408744 157033319 /nfs/dbraw/zinc/03/33/19/157033319.db2.gz IJJGWOAXMKGOIC-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000356105916 157356059 /nfs/dbraw/zinc/35/60/59/157356059.db2.gz ZIUKFQOVKGZODV-JSGCOSHPSA-N 2 0 281.444 1.848 10 0 CDAERP COc1cccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000361925557 159019144 /nfs/dbraw/zinc/01/91/44/159019144.db2.gz IJJPOCRRRUBLSY-TZMCWYRMSA-N 2 0 263.385 1.705 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662727684 413392701 /nfs/dbraw/zinc/39/27/01/413392701.db2.gz AENCEEMPIVYAMQ-OLZOCXBDSA-N 2 0 255.406 1.350 10 0 CDAERP Cn1ccnc1[C@@H]([NH2+]CCCC[NH+](C)C)C1CC1 ZINC000362376520 159134475 /nfs/dbraw/zinc/13/44/75/159134475.db2.gz RNWPKRYRSIQHGF-ZDUSSCGKSA-N 2 0 250.390 1.803 10 0 CDAERP CC(C)[N@H+](C)CCCNC(=O)CC1CC[NH+](C)CC1 ZINC000362513529 159165985 /nfs/dbraw/zinc/16/59/85/159165985.db2.gz VPBIFFLPGQJGMA-UHFFFAOYSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C ZINC000662731550 413396942 /nfs/dbraw/zinc/39/69/42/413396942.db2.gz GHMITJZROIQYJQ-CABCVRRESA-N 2 0 299.459 1.269 10 0 CDAERP C[NH2+]CCC[NH2+]CCCCCCCC[NH2+]CCC[NH2+]C ZINC000003790043 169912596 /nfs/dbraw/zinc/91/25/96/169912596.db2.gz HMENWQAKQNVVKG-UHFFFAOYSA-N 4 0 286.508 1.725 10 0 CDAERP C[C@@H]1CN(C(=O)[C@H]([NH3+])CC2CCCCC2)C[C@@]1(C)C[NH3+] ZINC000423977694 296888782 /nfs/dbraw/zinc/88/87/82/296888782.db2.gz XAAGQWUGMCXCAS-XNRPHZJLSA-N 2 0 281.444 1.727 10 0 CDAERP C[NH+](C)CCn1cccc1[C@H]([NH3+])Cc1ccc(O)cc1 ZINC000011848798 170446778 /nfs/dbraw/zinc/44/67/78/170446778.db2.gz NBZQBSDJJRLQJN-OAHLLOKOSA-N 2 0 273.380 1.998 10 0 CDAERP CC[NH+]1CCC(C[NH3+])(N(C)Cc2ccccc2)CC1 ZINC000019476163 170807643 /nfs/dbraw/zinc/80/76/43/170807643.db2.gz RTKCVPNCADWGKR-UHFFFAOYSA-N 2 0 261.413 1.932 10 0 CDAERP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)C(=O)NCCOC ZINC000020315930 171146173 /nfs/dbraw/zinc/14/61/73/171146173.db2.gz TXIPFKFNSXRZIP-UONOGXRCSA-N 2 0 287.448 1.238 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@H]1CCCC[NH2+]1 ZINC000653210762 412140673 /nfs/dbraw/zinc/14/06/73/412140673.db2.gz HKUPUAUDYVZYQH-CQSZACIVSA-N 2 0 261.369 1.164 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000653176027 412115931 /nfs/dbraw/zinc/11/59/31/412115931.db2.gz ICWQAQWEKXDVNZ-CQSZACIVSA-N 2 0 255.406 1.080 10 0 CDAERP CC(C)[NH2+][C@H]1CCCN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000654659776 413549211 /nfs/dbraw/zinc/54/92/11/413549211.db2.gz KFKYLRDKUBEHQH-SOUVJXGZSA-N 2 0 296.459 1.499 10 0 CDAERP CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C(C)C)[C@@H]1CCCCO1 ZINC000660927011 413661583 /nfs/dbraw/zinc/66/15/83/413661583.db2.gz UZSRXLGZJAZTTM-KKUMJFAQSA-N 2 0 272.433 1.625 10 0 CDAERP Cc1ccc([C@@H]([NH3+])C(=O)NCC[C@@H]([NH3+])C(C)C)cc1 ZINC000662926781 413711918 /nfs/dbraw/zinc/71/19/18/413711918.db2.gz PLXZESJQOJJJJV-ZIAGYGMSSA-N 2 0 263.385 1.484 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000659325440 413719602 /nfs/dbraw/zinc/71/96/02/413719602.db2.gz MEFKMNWAQQYLRZ-LEWSCRJBSA-N 2 0 259.353 1.169 10 0 CDAERP CC[C@@H](C[NH+]1CCCC1)NC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659468794 413857034 /nfs/dbraw/zinc/85/70/34/413857034.db2.gz FUDSWZUUEOLGMP-UONOGXRCSA-N 2 0 284.448 1.533 10 0 CDAERP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000659536469 413937388 /nfs/dbraw/zinc/93/73/88/413937388.db2.gz IAHSUFXZCPKBPE-QLFBSQMISA-N 2 0 296.459 1.404 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCc1noc2ccccc12 ZINC000665232420 413959193 /nfs/dbraw/zinc/95/91/93/413959193.db2.gz MNILRADPDYZAQY-UBHSHLNASA-N 2 0 289.379 1.712 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(CNC(C)=O)cc1 ZINC000665235778 413962839 /nfs/dbraw/zinc/96/28/39/413962839.db2.gz ZXNONYRXENHCHS-INIZCTEOSA-N 2 0 293.411 1.166 10 0 CDAERP C[C@@H](COc1c(F)cccc1F)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000665261392 413990370 /nfs/dbraw/zinc/99/03/70/413990370.db2.gz BBELUGXXMDAMOQ-UWVGGRQHSA-N 2 0 270.323 1.930 10 0 CDAERP CCC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]CCNC(C)=O)C1 ZINC000037221427 173040964 /nfs/dbraw/zinc/04/09/64/173040964.db2.gz IBNSJDUFOMDEER-OCCSQVGLSA-N 2 0 255.406 1.223 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)NCCCn1ccnc1 ZINC000663239107 414078441 /nfs/dbraw/zinc/07/84/41/414078441.db2.gz GDFAYBJELFFPNU-UHFFFAOYSA-N 2 0 295.431 1.693 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)NC(C)(C)C[NH+]2CCCC2)C1 ZINC000655131661 414078589 /nfs/dbraw/zinc/07/85/89/414078589.db2.gz IURYWKCLAZULCF-ZDUSSCGKSA-N 2 0 282.432 1.254 10 0 CDAERP COC1(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CCOCC1 ZINC000655825173 414230537 /nfs/dbraw/zinc/23/05/37/414230537.db2.gz ZMSDSVTUMVOSAN-BETUJISGSA-N 2 0 256.390 1.112 10 0 CDAERP CC[NH+](CC)CCC[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000661633079 414237812 /nfs/dbraw/zinc/23/78/12/414237812.db2.gz SYGCOSVCCLLIEB-OAHLLOKOSA-N 2 0 254.418 1.955 10 0 CDAERP c1cc(C[NH2+][C@H]2CCN(C3CC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000657348081 414209725 /nfs/dbraw/zinc/20/97/25/414209725.db2.gz JUPMCIPXXWJIHY-ZDUSSCGKSA-N 2 0 283.379 1.594 10 0 CDAERP CCN(C(=O)NC1CC[NH+](C(C)C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000663446912 414258302 /nfs/dbraw/zinc/25/83/02/414258302.db2.gz QOILGYCIPQHWSV-HNNXBMFYSA-N 2 0 296.459 1.595 10 0 CDAERP O=C1C[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CN1C1CC1 ZINC000657386827 414268636 /nfs/dbraw/zinc/26/86/36/414268636.db2.gz HZOBLURACPEDHG-LBPRGKRZSA-N 2 0 297.362 1.120 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CN1C1CC1 ZINC000657389629 414271995 /nfs/dbraw/zinc/27/19/95/414271995.db2.gz NELNHOYOHZFQGM-KGLIPLIRSA-N 2 0 297.406 1.982 10 0 CDAERP CC(C)NC(=O)[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000663502239 414302748 /nfs/dbraw/zinc/30/27/48/414302748.db2.gz GFCHBJYEWIZUPC-RRFJBIMHSA-N 2 0 281.444 1.611 10 0 CDAERP CC[C@H]([NH3+])Cc1ccc(OCC[NH+](C)C)c(OC)c1 ZINC000037727308 173646154 /nfs/dbraw/zinc/64/61/54/173646154.db2.gz PQNGBOVEDOATDC-ZDUSSCGKSA-N 2 0 266.385 1.915 10 0 CDAERP COC1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCC1 ZINC000657429675 414325286 /nfs/dbraw/zinc/32/52/86/414325286.db2.gz IEULZAATIVZSTG-UHFFFAOYSA-N 2 0 272.352 1.926 10 0 CDAERP CCN(C(=O)NC[C@@H]1CC[NH+](C2CC2)C1)[C@@H]1CC[N@H+](C)C1 ZINC000663682833 414404831 /nfs/dbraw/zinc/40/48/31/414404831.db2.gz IZLPRXKPLNHGAB-DZGCQCFKSA-N 2 0 294.443 1.206 10 0 CDAERP CC(C)=CCC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662150617 414537540 /nfs/dbraw/zinc/53/75/40/414537540.db2.gz YKHCIKHGRNCZEN-HNNXBMFYSA-N 2 0 252.402 1.874 10 0 CDAERP C[N@@H+](Cc1cccs1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662250086 414585571 /nfs/dbraw/zinc/58/55/71/414585571.db2.gz XPHPWCLZQJKOIB-LLVKDONJSA-N 2 0 252.383 1.701 10 0 CDAERP COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662283941 414613501 /nfs/dbraw/zinc/61/35/01/414613501.db2.gz DQTDWLBYGVRGOX-DOMZBBRYSA-N 2 0 276.380 1.867 10 0 CDAERP OCC1([NH2+]Cc2cccc3c2CC[NH2+]C3)CCCC1 ZINC000662286147 414615659 /nfs/dbraw/zinc/61/56/59/414615659.db2.gz ORMJZWKXISKDBT-UHFFFAOYSA-N 2 0 260.381 1.727 10 0 CDAERP C[C@@H](CNC(=O)C1([NH3+])CCCC1)[NH+]1CCCCC1 ZINC000038029430 174020302 /nfs/dbraw/zinc/02/03/02/174020302.db2.gz MNETZGXQIBKODG-LBPRGKRZSA-N 2 0 253.390 1.249 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000038100737 174115435 /nfs/dbraw/zinc/11/54/35/174115435.db2.gz VNVNZQVQCIGVSB-AWEZNQCLSA-N 2 0 267.417 1.461 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]1N1CC[NH+](Cc2ccccc2)CC1 ZINC000040431789 174260392 /nfs/dbraw/zinc/26/03/92/174260392.db2.gz HWQDJUYUPMSPFL-CVEARBPZSA-N 2 0 259.397 1.684 10 0 CDAERP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000040490698 174292093 /nfs/dbraw/zinc/29/20/93/174292093.db2.gz YUYYUQRLNSJBCK-JWURUJNWSA-N 2 0 267.417 1.349 10 0 CDAERP Cc1ccc(C[N@@H+]2CCC[C@H]2C(=O)N2CC[NH2+]CC2)cc1 ZINC000040508049 174302565 /nfs/dbraw/zinc/30/25/65/174302565.db2.gz GTGBHTMEUCCRNW-INIZCTEOSA-N 2 0 287.407 1.391 10 0 CDAERP CC(C)CC[C@H](C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508108 174302883 /nfs/dbraw/zinc/30/28/83/174302883.db2.gz FSEWXAQARXGEOE-LSDHHAIUSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H]([NH3+])[C@@H](c1ccccn1)N1CC[NH+](CC2CC2)CC1 ZINC000043340181 175014483 /nfs/dbraw/zinc/01/44/83/175014483.db2.gz QYIBVWXFKQCKSX-BBRMVZONSA-N 2 0 274.412 1.498 10 0 CDAERP CN(C[C@H]1[NH2+]CCc2ccccc21)C1CC[NH+](C)CC1 ZINC000043595961 175076958 /nfs/dbraw/zinc/07/69/58/175076958.db2.gz XLDFJPANMSUAOD-QGZVFWFLSA-N 2 0 273.424 1.899 10 0 CDAERP c1ccc2c(c1)CC[NH2+][C@@H]2CN1CC[NH+](C2CC2)CC1 ZINC000043596211 175077000 /nfs/dbraw/zinc/07/70/00/175077000.db2.gz ITJHASDEROJKDU-QGZVFWFLSA-N 2 0 271.408 1.653 10 0 CDAERP CC[C@@H]1CC[C@H]([NH2+]C)[C@H](N2CC[NH+](CC)CC2)C1 ZINC000043805759 175107609 /nfs/dbraw/zinc/10/76/09/175107609.db2.gz OQZXXNOZXCPJCB-QLFBSQMISA-N 2 0 253.434 1.791 10 0 CDAERP CC[NH2+][C@@H]1c2ccccc2OC[C@H]1N1CC[NH+](CC)CC1 ZINC000043806101 175108633 /nfs/dbraw/zinc/10/86/33/175108633.db2.gz CBWCKMCQLYUJNL-NVXWUHKLSA-N 2 0 289.423 1.736 10 0 CDAERP CC[NH2+][C@H]1CCCC[C@@H]1N(CCOC)[C@@H](C)COC ZINC000043975904 175132699 /nfs/dbraw/zinc/13/26/99/175132699.db2.gz YVGRSNSICKHGSS-KKUMJFAQSA-N 2 0 272.433 1.890 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1CCCCN1C)C1CC[NH+](C)CC1 ZINC000044561409 175205291 /nfs/dbraw/zinc/20/52/91/175205291.db2.gz QIUKFWQISJNDHX-ZFWWWQNUSA-N 2 0 253.434 1.791 10 0 CDAERP CC[NH2+][C@](C)(CCC[NH+]1[C@@H](C)CCC[C@@H]1C)C(N)=O ZINC000045379733 175369175 /nfs/dbraw/zinc/36/91/75/175369175.db2.gz IBJWZMPAIRWKAL-KCQAQPDRSA-N 2 0 269.433 1.883 10 0 CDAERP CC[NH2+][C@@](C)(CCCC[N@H+](CC)C1CC1)C(N)=O ZINC000045386381 175373234 /nfs/dbraw/zinc/37/32/34/175373234.db2.gz IQTHBRLAYSBXHP-AWEZNQCLSA-N 2 0 255.406 1.495 10 0 CDAERP CCC[NH+]1CCN([C@H](C)C[C@](C)(CO)[NH2+]C(C)C)CC1 ZINC000070512801 175961305 /nfs/dbraw/zinc/96/13/05/175961305.db2.gz BTGBEOXRYXYRHE-HZPDHXFCSA-N 2 0 285.476 1.542 10 0 CDAERP [NH3+][C@H]1CCC[C@@H](C[NH+]2CCN(CC(F)(F)F)CC2)C1 ZINC000070578745 175994201 /nfs/dbraw/zinc/99/42/01/175994201.db2.gz UTSYHNNCMFIYJT-NEPJUHHUSA-N 2 0 279.350 1.684 10 0 CDAERP CCC[NH2+][C@@H]1CCN(CCC[NH+](CC)CC)C1=O ZINC000071033348 176023450 /nfs/dbraw/zinc/02/34/50/176023450.db2.gz MZCHUTUJUXKRHH-CYBMUJFWSA-N 2 0 255.406 1.319 10 0 CDAERP C[NH+](C)CCCCN1CCC[C@@H]([NH2+]C2CC2)C1=O ZINC000071033935 176024396 /nfs/dbraw/zinc/02/43/96/176024396.db2.gz SKIGRRXNEXSNKA-CYBMUJFWSA-N 2 0 253.390 1.071 10 0 CDAERP CC[C@H]1CCC[C@H]([NH2+]CCN2CC[NH+](C)CC2)C1 ZINC000071117879 176034649 /nfs/dbraw/zinc/03/46/49/176034649.db2.gz KOQSADLYTBECCM-GJZGRUSLSA-N 2 0 253.434 1.792 10 0 CDAERP C[C@H]1CCC[C@H]([NH+]2CCN(C(C)(C)C[NH3+])CC2)C1 ZINC000071147704 176044093 /nfs/dbraw/zinc/04/40/93/176044093.db2.gz GHQGXFUNYYBJBD-KBPBESRZSA-N 2 0 253.434 1.920 10 0 CDAERP CCC[C@]1(C(=O)N(C)C[C@H]2CC[N@H+](C)C2)CCC[NH2+]C1 ZINC000071189613 176065609 /nfs/dbraw/zinc/06/56/09/176065609.db2.gz HCWLEUJTXBEOIL-HOCLYGCPSA-N 2 0 281.444 1.566 10 0 CDAERP C[N@H+](C[C@H]1CC[NH+](C)C1)[C@@H]1Cc2ccccc2[C@@H]1O ZINC000071190649 176068274 /nfs/dbraw/zinc/06/82/74/176068274.db2.gz WPFCQGMFEDTZIV-MAZHCROVSA-N 2 0 260.381 1.528 10 0 CDAERP CC(C)[NH2+]CC1(CN(C)C[C@H]2CC[N@H+](C)C2)CCOCC1 ZINC000071191283 176069737 /nfs/dbraw/zinc/06/97/37/176069737.db2.gz YSQMUOKOHJWVRS-INIZCTEOSA-N 2 0 297.487 1.665 10 0 CDAERP CN(C[C@H]1CC[N@H+](C)C1)C(=O)CCC1CCC([NH3+])CC1 ZINC000071193287 176075620 /nfs/dbraw/zinc/07/56/20/176075620.db2.gz KSGUYILPRVJFMU-SLTAFYQDSA-N 2 0 281.444 1.694 10 0 CDAERP CC(C)[NH2+]CCCCCC[N@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000071288293 176110703 /nfs/dbraw/zinc/11/07/03/176110703.db2.gz NYSSTHMVCWSWMS-AWEZNQCLSA-N 2 0 290.473 1.664 10 0 CDAERP CC[NH+](CC)C[C@@H](O)CNCC[N@H+](C)C1CCCC1 ZINC000071377448 176142358 /nfs/dbraw/zinc/14/23/58/176142358.db2.gz HLXAHLJHMIRLLR-HNNXBMFYSA-N 2 0 271.449 1.153 10 0 CDAERP CN(CC[NH+]1CCCC1)[C@@H]1CC(C)(C)CC[C@@H]1[NH3+] ZINC000079626008 177528691 /nfs/dbraw/zinc/52/86/91/177528691.db2.gz CYIIHRFGSKRYRY-UONOGXRCSA-N 2 0 253.434 1.920 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NC2(C[NH2+]C/C=C\Cl)CCCC2)C1 ZINC001665964636 1173093324 /nfs/dbraw/zinc/09/33/24/1173093324.db2.gz ZIUJILIEHCRGLC-UKOWJOKBSA-N 2 0 299.846 1.709 10 0 CDAERP COCCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCCC1 ZINC001666778766 1173185157 /nfs/dbraw/zinc/18/51/57/1173185157.db2.gz TUQCAWYHPFLDHU-CQSZACIVSA-N 2 0 297.443 1.136 10 0 CDAERP Cc1cc(C)n2c(C[NH2+][C@H]3CC[C@H](C[NH3+])C3)cnc2n1 ZINC000415046815 263258002 /nfs/dbraw/zinc/25/80/02/263258002.db2.gz VHRFXDBLWQMPAD-STQMWFEESA-N 2 0 273.384 1.563 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C[C@@H]2C[NH2+]CCO2)C1 ZINC000662260157 423803735 /nfs/dbraw/zinc/80/37/35/423803735.db2.gz IUOGLYNLXOUVTD-IKGGRYGDSA-N 2 0 295.471 1.561 10 0 CDAERP CCC[C@H](C)[C@H](CO)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000651893990 423864159 /nfs/dbraw/zinc/86/41/59/423864159.db2.gz NGAOZMKQUXMPIK-YJNKXOJESA-N 2 0 254.418 2.000 10 0 CDAERP Clc1ccccc1[C@@H]1C[NH2+]CCN1C[C@H]1C[NH2+]CCO1 ZINC000662272851 423827246 /nfs/dbraw/zinc/82/72/46/423827246.db2.gz RGQPQNAEKGKFIP-DOMZBBRYSA-N 2 0 295.814 1.275 10 0 CDAERP CN(C)C(=O)N(C)[C@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000662318414 423950550 /nfs/dbraw/zinc/95/05/50/423950550.db2.gz ZSIWLFDGEWGSBQ-KGLIPLIRSA-N 2 0 282.432 1.064 10 0 CDAERP [NH3+]CC1(CCNC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000652182958 424008524 /nfs/dbraw/zinc/00/85/24/424008524.db2.gz IZTREFCUAZALOB-AWEZNQCLSA-N 2 0 294.443 1.432 10 0 CDAERP O=C(Nc1ccc2c(c1)C[NH2+]CC2)C1([NH2+]C2CC2)CCC1 ZINC000662418754 424068462 /nfs/dbraw/zinc/06/84/62/424068462.db2.gz SUNVVZSDMYVIQL-UHFFFAOYSA-N 2 0 285.391 1.946 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000652223739 424101796 /nfs/dbraw/zinc/10/17/96/424101796.db2.gz MLPUMNLYFPUDSB-ZIAGYGMSSA-N 2 0 284.448 1.391 10 0 CDAERP CN(CC[NH+]1CCCCC1)C(=O)NCCC1(C[NH3+])CC1 ZINC000652231234 424103995 /nfs/dbraw/zinc/10/39/95/424103995.db2.gz OQLCPVFJNICJST-UHFFFAOYSA-N 2 0 282.432 1.243 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)NCCC2CC[NH2+]CC2)CC[N@@H+]1C ZINC000652314096 424221928 /nfs/dbraw/zinc/22/19/28/424221928.db2.gz UNFGAYKBSNTTJE-HIFRSBDPSA-N 2 0 296.459 1.500 10 0 CDAERP CC[N@H+](C)[C@@H](C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1ccccc1 ZINC000662748364 424403032 /nfs/dbraw/zinc/40/30/32/424403032.db2.gz RHJFKGUVUMQLRY-RBSFLKMASA-N 2 0 293.386 1.577 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000659292477 424481760 /nfs/dbraw/zinc/48/17/60/424481760.db2.gz PZBLVBRQBPPUHK-RDBSUJKOSA-N 2 0 285.432 1.118 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[C@H](C)SC1 ZINC000655713129 424484505 /nfs/dbraw/zinc/48/45/05/424484505.db2.gz VYGOEJBVKRIKPC-HZSPNIEDSA-N 2 0 271.474 1.496 10 0 CDAERP CC(C)([NH3+])c1cc(C(=O)N[C@@H](C[NH3+])C2CCCC2)on1 ZINC000662811972 424500822 /nfs/dbraw/zinc/50/08/22/424500822.db2.gz CZFVPCLNFSZOER-JTQLQIEISA-N 2 0 280.372 1.116 10 0 CDAERP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000655489115 424505073 /nfs/dbraw/zinc/50/50/73/424505073.db2.gz MFVYEJGUMDXQSI-JMSVASOKSA-N 2 0 275.396 1.776 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC[C@H]1CCCOC1 ZINC000530211697 271153718 /nfs/dbraw/zinc/15/37/18/271153718.db2.gz ODCWQBRKKXGTAN-CRWXNKLISA-N 2 0 256.390 1.145 10 0 CDAERP COc1ccc(CC[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)cn1 ZINC000530224049 271166649 /nfs/dbraw/zinc/16/66/49/271166649.db2.gz VYRVTACBGNOMJJ-JSGCOSHPSA-N 2 0 263.385 1.610 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3nc[nH]c3C2)[C@H](C)C1 ZINC000353633904 276231598 /nfs/dbraw/zinc/23/15/98/276231598.db2.gz XZCAOGCGIXCAJJ-AGIUHOORSA-N 2 0 262.401 1.587 10 0 CDAERP CC[N@H+](CCNC(=O)N1C[C@H]2CCC[NH+]2C[C@H]1C)C1CC1 ZINC000247470157 276346923 /nfs/dbraw/zinc/34/69/23/276346923.db2.gz RQBGJHLOVRDKLZ-UKRRQHHQSA-N 2 0 294.443 1.349 10 0 CDAERP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[NH2+]C2)[C@H]1C ZINC000423573122 277065671 /nfs/dbraw/zinc/06/56/71/277065671.db2.gz YWKDEYLWHSZZRA-FQUUOJAGSA-N 2 0 268.401 1.696 10 0 CDAERP C[C@H](CC[NH2+]C/C=C\Cl)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001668274349 1173390436 /nfs/dbraw/zinc/39/04/36/1173390436.db2.gz QRGNFBDSSPXGBA-NAFLWYGVSA-N 2 0 287.835 1.565 10 0 CDAERP C[C@@H](C(N)=O)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000177483362 278217633 /nfs/dbraw/zinc/21/76/33/278217633.db2.gz LKBXHGDFEYUOHK-MCIONIFRSA-N 2 0 297.443 1.072 10 0 CDAERP CC1CC[NH+](C2CCC(NC(=O)[C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000236840230 278536696 /nfs/dbraw/zinc/53/66/96/278536696.db2.gz WBVINTHJCVWPJW-GPANFISMSA-N 2 0 293.455 1.898 10 0 CDAERP C[C@]1(C(=O)NC2CC([NH+]3CCCCC3)C2)CC[NH2+]C1 ZINC000335481309 278557246 /nfs/dbraw/zinc/55/72/46/278557246.db2.gz VNMMUTJBZSBUEI-PIMMBPRGSA-N 2 0 265.401 1.119 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000249965881 279098881 /nfs/dbraw/zinc/09/88/81/279098881.db2.gz NSMTZHLJPVDKBQ-KFWWJZLASA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@H](O)C[NH+]1CCCC2(CCC[N@@H+](C[C@@H](O)CC)C2)C1 ZINC000377716778 288104054 /nfs/dbraw/zinc/10/40/54/288104054.db2.gz AHLUHWAAZTWLDA-PYNWJHIZSA-N 2 0 298.471 1.706 10 0 CDAERP CC(C)C[C@H](C[NH3+])NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000418417846 279136708 /nfs/dbraw/zinc/13/67/08/279136708.db2.gz VWJGYOKAPPBTMD-MGPQQGTHSA-N 2 0 284.448 1.484 10 0 CDAERP CC[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000422780972 279256953 /nfs/dbraw/zinc/25/69/53/279256953.db2.gz ICRLRDCIYFMZIH-HUUCEWRRSA-N 3 0 253.434 1.825 10 0 CDAERP COc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000091542865 279286376 /nfs/dbraw/zinc/28/63/76/279286376.db2.gz DWBNFCNOJLFAMA-QWHCGFSZSA-N 2 0 291.395 1.823 10 0 CDAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000423458461 279414239 /nfs/dbraw/zinc/41/42/39/279414239.db2.gz GXWUGEBAEPUTMM-WUHRBBMRSA-N 2 0 250.390 1.772 10 0 CDAERP O[C@H](CN1CC[C@@H](C[NH+]2CCCC2)C1)C(F)(F)F ZINC000248579478 280365844 /nfs/dbraw/zinc/36/58/44/280365844.db2.gz OGWIGWBVCJNMKL-WDEREUQCSA-N 2 0 266.307 1.327 10 0 CDAERP CN1CC[NH+](CC2(C)CC[NH+](CC3(F)CC3)CC2)CC1 ZINC000527235024 281121448 /nfs/dbraw/zinc/12/14/48/281121448.db2.gz PTHKIHKIJUWZKM-UHFFFAOYSA-N 2 0 283.435 1.838 10 0 CDAERP C[C@H]([NH2+]C[C@H]1CCCN1CCCO)[C@@H]1C[C@H]1C1CC1 ZINC000527713072 281175210 /nfs/dbraw/zinc/17/52/10/281175210.db2.gz JJJGFDNKPRLEQF-UKMLZYKCSA-N 2 0 266.429 1.857 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000227454158 288303732 /nfs/dbraw/zinc/30/37/32/288303732.db2.gz ZRAXDDXGRDMKBG-AAVRWANBSA-N 2 0 265.401 1.199 10 0 CDAERP C[NH+](C)CC1(CNC(=O)N2CC[C@H]([NH+](C)C)C2)CCCC1 ZINC000185170364 282069143 /nfs/dbraw/zinc/06/91/43/282069143.db2.gz WPRNKOFTALLGGJ-AWEZNQCLSA-N 2 0 296.459 1.454 10 0 CDAERP CC[NH2+]CCN(CC)C(=O)C[NH+]1CCC(C)CC1 ZINC001668597022 1173430845 /nfs/dbraw/zinc/43/08/45/1173430845.db2.gz QFGKHJDHNJGIGR-UHFFFAOYSA-N 2 0 255.406 1.176 10 0 CDAERP C[C@H]([NH3+])CC(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000261687144 289766308 /nfs/dbraw/zinc/76/63/08/289766308.db2.gz DSBOGKIHGVJLBH-IHRRRGAJSA-N 2 0 297.443 1.072 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC000553492138 290121727 /nfs/dbraw/zinc/12/17/27/290121727.db2.gz TZQBIIAHFHUTDY-HOTGVXAUSA-N 2 0 293.455 1.663 10 0 CDAERP C[N@@H+]1CC[C@H](NCCC[NH2+]C2CC2)[C@H]2CCC[C@H]21 ZINC000423574455 290217253 /nfs/dbraw/zinc/21/72/53/290217253.db2.gz ZVVAGXPCAOSAGL-QLFBSQMISA-N 2 0 251.418 1.591 10 0 CDAERP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(C[NH3+])cc2)C1 ZINC000335049938 290239419 /nfs/dbraw/zinc/23/94/19/290239419.db2.gz ZVQKHIBXEOTENX-HOTGVXAUSA-N 2 0 287.407 1.702 10 0 CDAERP C[C@@H]1CCC[N@H+](CCNC(=O)CN2CC(C)(C)C2)C1 ZINC000557523113 290349535 /nfs/dbraw/zinc/34/95/35/290349535.db2.gz IURHVRUBSOYUQF-CYBMUJFWSA-N 2 0 267.417 1.176 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000561156189 293055978 /nfs/dbraw/zinc/05/59/78/293055978.db2.gz RONWQYDHLBEXDV-GOEBONIOSA-N 2 0 296.459 1.502 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CCC(CCC[NH+](C)C)CC2)C1 ZINC000561309627 293077205 /nfs/dbraw/zinc/07/72/05/293077205.db2.gz QTJQXLFDFYRCAY-HNNXBMFYSA-N 2 0 295.471 1.909 10 0 CDAERP [NH3+]CC[C@H]1CCCN(C(=O)c2ccc(C[NH3+])cc2)C1 ZINC000563108300 293276869 /nfs/dbraw/zinc/27/68/69/293276869.db2.gz LHDBVVLZWFRUQK-CYBMUJFWSA-N 2 0 261.369 1.346 10 0 CDAERP CC[NH2+]Cc1ccccc1NC(=O)[C@@H]([NH3+])CC(F)F ZINC000563146484 293290039 /nfs/dbraw/zinc/29/00/39/293290039.db2.gz ZGFRTGROCDICIK-JTQLQIEISA-N 2 0 271.311 1.717 10 0 CDAERP CO[C@@H](C)[C@H](C)[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000423069794 293474671 /nfs/dbraw/zinc/47/46/71/293474671.db2.gz MEKUBSVHZRTEGZ-UMNHJUIQSA-N 2 0 251.374 1.923 10 0 CDAERP [NH3+]CC12CCC(CC1)CN2C(=O)COC1CCC([NH3+])CC1 ZINC000568150827 293958243 /nfs/dbraw/zinc/95/82/43/293958243.db2.gz WUFYPSMYUKLPOT-UHFFFAOYSA-N 2 0 295.427 1.003 10 0 CDAERP C[C@@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH+]1CCCCC1 ZINC000570581186 294267409 /nfs/dbraw/zinc/26/74/09/294267409.db2.gz DCOSTCFJLIJFLO-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP CC[NH2+]Cc1ccccc1NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000570683619 294288684 /nfs/dbraw/zinc/28/86/84/294288684.db2.gz YAJBTPWHOZZIIJ-XJKSGUPXSA-N 2 0 273.380 1.734 10 0 CDAERP CO[C@H](C)[C@H](C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000366212221 294333362 /nfs/dbraw/zinc/33/33/62/294333362.db2.gz VVELFHMWSRVKAS-JKSUJKDBSA-N 2 0 297.487 1.950 10 0 CDAERP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@@H]1C[NH2+]CCC1(F)F ZINC000571402248 294428340 /nfs/dbraw/zinc/42/83/40/294428340.db2.gz IEJKDGIHJZLUOV-FGNRJIRKSA-N 2 0 287.354 1.021 10 0 CDAERP CC(C)[C@H]([NH3+])CNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000574517880 295011868 /nfs/dbraw/zinc/01/18/68/295011868.db2.gz JEILSCMLGKLOFZ-QWHCGFSZSA-N 2 0 255.406 1.350 10 0 CDAERP CN(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1CCCCC1 ZINC000574739211 295045922 /nfs/dbraw/zinc/04/59/22/295045922.db2.gz LGRFPNTVJOAKGB-UHFFFAOYSA-N 2 0 298.475 1.796 10 0 CDAERP [NH3+]C[C@@H](NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)C1CC1 ZINC000333865975 295242487 /nfs/dbraw/zinc/24/24/87/295242487.db2.gz SYFBWASZEIZAEN-HUUCEWRRSA-N 2 0 294.443 1.384 10 0 CDAERP [NH3+][C@H]1CCC[C@@H](C(=O)N2CCC[N@@H+](C3CC3)CC2)C1 ZINC000178747326 295335506 /nfs/dbraw/zinc/33/55/06/295335506.db2.gz AOVAYJBFLVIXPO-OLZOCXBDSA-N 2 0 265.401 1.201 10 0 CDAERP C[C@H](CC(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1)C1CC[NH2+]CC1 ZINC000186527680 298285496 /nfs/dbraw/zinc/28/54/96/298285496.db2.gz PRIGHSGHJZNKHM-HIFRSBDPSA-N 2 0 293.455 1.755 10 0 CDAERP CC/C=C/CC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001669183096 1173514631 /nfs/dbraw/zinc/51/46/31/1173514631.db2.gz LIGRCJWSEUQCQA-JTZRBYRLSA-N 2 0 279.428 1.556 10 0 CDAERP C[C@]1(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CCCC[NH2+]1 ZINC000136206778 300755996 /nfs/dbraw/zinc/75/59/96/300755996.db2.gz RSIDEEUHGMNNPI-DZGCQCFKSA-N 2 0 265.401 1.215 10 0 CDAERP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000263255283 300818100 /nfs/dbraw/zinc/81/81/00/300818100.db2.gz QKBZZRCIISJSKU-WBVHZDCISA-N 2 0 293.455 1.981 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000333243596 303397612 /nfs/dbraw/zinc/39/76/12/303397612.db2.gz FHZFPZFNRYCDEU-STQMWFEESA-N 2 0 280.416 1.041 10 0 CDAERP C[C@@H](C[NH2+]C/C=C\Cl)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001669595918 1173574171 /nfs/dbraw/zinc/57/41/71/1173574171.db2.gz UKGXRTVOXKUGRZ-ZADDAZQUSA-N 2 0 273.808 1.318 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CCCF)C1 ZINC001671719838 1173706604 /nfs/dbraw/zinc/70/66/04/1173706604.db2.gz OUKPOXDSYBIZLM-ZFWWWQNUSA-N 2 0 285.407 1.268 10 0 CDAERP C[NH2+]C1CCN(C(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000179137349 315969996 /nfs/dbraw/zinc/96/99/96/315969996.db2.gz AVMNOPDZGSBVBJ-IUODEOHRSA-N 2 0 275.396 1.533 10 0 CDAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]C2CC(C(C)(C)C)C2)CC1 ZINC000563708131 316358955 /nfs/dbraw/zinc/35/89/55/316358955.db2.gz PKAOYZRRTRIKDK-NRXISQOPSA-N 2 0 283.460 1.009 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000575850765 317025011 /nfs/dbraw/zinc/02/50/11/317025011.db2.gz YBEBMTITLYBTEX-ZFWWWQNUSA-N 3 0 285.395 1.793 10 0 CDAERP C[C@H](NCC1([NH+](C)C)CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000575914196 317037130 /nfs/dbraw/zinc/03/71/30/317037130.db2.gz QJXPDVCVYDSCEF-UONOGXRCSA-N 2 0 253.434 1.839 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CCCC[NH+]2CCN(C)CC2)[C@@H]1C ZINC000577041112 317253447 /nfs/dbraw/zinc/25/34/47/317253447.db2.gz RZMKMIKWBSHTGM-KFWWJZLASA-N 2 0 253.434 1.648 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](CC[NH2+]CCCF)C2)C1 ZINC001672911189 1173808956 /nfs/dbraw/zinc/80/89/56/1173808956.db2.gz RHWSMYLWEQHFHN-KBPBESRZSA-N 2 0 285.407 1.126 10 0 CDAERP CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000579123155 324112846 /nfs/dbraw/zinc/11/28/46/324112846.db2.gz NDMUHLYBMJALSF-ZDUSSCGKSA-N 2 0 261.369 1.292 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000579302078 324148612 /nfs/dbraw/zinc/14/86/12/324148612.db2.gz ZVQQTAOMQDQANF-CYBMUJFWSA-N 2 0 255.406 1.271 10 0 CDAERP CC[NH+]1CCC(CNC(=O)COC2CCC([NH3+])CC2)CC1 ZINC000581367245 324725205 /nfs/dbraw/zinc/72/52/05/324725205.db2.gz OYRCCHHOIOKZHH-UHFFFAOYSA-N 2 0 297.443 1.121 10 0 CDAERP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccccc1-n1ccnn1 ZINC000584226278 327068685 /nfs/dbraw/zinc/06/86/85/327068685.db2.gz JJVYYKPXIKWAND-YDHLFZDLSA-N 2 0 285.395 1.916 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]([NH2+]CC2(O)Cc3ccccc3C2)C1 ZINC000584539839 329518948 /nfs/dbraw/zinc/51/89/48/329518948.db2.gz GBLJDOQVIBXOCP-CABCVRRESA-N 2 0 260.381 1.376 10 0 CDAERP C[C@H](CC(C)(C)O)[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693726328 1159196411 /nfs/dbraw/zinc/19/64/11/1159196411.db2.gz XGZGGFRGZQRHOI-FVCCEPFGSA-N 2 0 254.418 1.902 10 0 CDAERP CCCC[NH2+]CC[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001268379248 1159914582 /nfs/dbraw/zinc/91/45/82/1159914582.db2.gz FRDHFOWOIKWIIH-AWEZNQCLSA-N 2 0 281.444 1.899 10 0 CDAERP CCCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001482102442 1159980709 /nfs/dbraw/zinc/98/07/09/1159980709.db2.gz SUCYBSPGVUMEQQ-HIFRSBDPSA-N 2 0 281.444 1.470 10 0 CDAERP C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662257937 482208521 /nfs/dbraw/zinc/20/85/21/482208521.db2.gz HCADQIHXYGERPP-YCPHGPKFSA-N 2 0 296.455 1.674 10 0 CDAERP C[C@H]1C[C@H](NC(=O)CC2([NH3+])CC2)C[N@@H+]1Cc1ccccc1 ZINC000398120377 482244899 /nfs/dbraw/zinc/24/48/99/482244899.db2.gz ASYJKDJAJCUKDD-ZFWWWQNUSA-N 2 0 287.407 1.647 10 0 CDAERP C[NH2+]C[C@](C)(O)C[NH+]1CCC(OCC(C)C)CC1 ZINC000652337113 482462763 /nfs/dbraw/zinc/46/27/63/482462763.db2.gz KSRQKZQWSMUDPE-AWEZNQCLSA-N 2 0 258.406 1.094 10 0 CDAERP O=C(NCC1CC[NH+](C2CC2)CC1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653160661 482465610 /nfs/dbraw/zinc/46/56/10/482465610.db2.gz QZAJHYOTDCESON-CVEARBPZSA-N 2 0 291.439 1.508 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000669509726 482515163 /nfs/dbraw/zinc/51/51/63/482515163.db2.gz PLFUUUJJEYOSMQ-VXGBXAGGSA-N 2 0 253.390 1.023 10 0 CDAERP OC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000401077511 482533554 /nfs/dbraw/zinc/53/35/54/482533554.db2.gz MTOVPEVVKPDOIG-QKGCVVFFSA-N 2 0 252.402 1.515 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCOC[C@@H]2CCOC2)[C@@H]2CCC[C@@H]21 ZINC000671746785 482543178 /nfs/dbraw/zinc/54/31/78/482543178.db2.gz ITALDQGVHYDLME-UGUYLWEFSA-N 2 0 282.428 1.502 10 0 CDAERP C[NH2+]CCN(C)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000417200696 482573833 /nfs/dbraw/zinc/57/38/33/482573833.db2.gz USOYZGHZSOWWCQ-OAHLLOKOSA-N 2 0 292.427 1.020 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000417372905 482585232 /nfs/dbraw/zinc/58/52/32/482585232.db2.gz AAECTSQUGBDAKO-LSDHHAIUSA-N 2 0 296.459 1.678 10 0 CDAERP C[N@H+](CCCNC(=O)NC/C=C/C[NH3+])C1CCCCC1 ZINC000669306351 482679028 /nfs/dbraw/zinc/67/90/28/482679028.db2.gz GFUFBPVRTDIXJP-AATRIKPKSA-N 2 0 282.432 1.455 10 0 CDAERP CO[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000684380038 482781908 /nfs/dbraw/zinc/78/19/08/482781908.db2.gz XUDYLEMCNNETFS-BFYDXBDKSA-N 2 0 295.471 1.702 10 0 CDAERP CC(C)(CC[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)C1CC1 ZINC000406131987 482880889 /nfs/dbraw/zinc/88/08/89/482880889.db2.gz XMJMGTVZWSNFOU-HNNXBMFYSA-N 2 0 265.445 1.792 10 0 CDAERP Cc1cc(C)n2c(C[NH2+][C@@H]3CCC[NH2+]CC3)cnc2n1 ZINC000666856529 482952118 /nfs/dbraw/zinc/95/21/18/482952118.db2.gz NVNYQTUYPLRSPK-CYBMUJFWSA-N 2 0 273.384 1.578 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)C(C)(C)c1c[nH]cn1 ZINC000683918950 483141723 /nfs/dbraw/zinc/14/17/23/483141723.db2.gz CBSKSQFTCRWARQ-NSHDSACASA-N 2 0 266.389 1.534 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157736173 483259339 /nfs/dbraw/zinc/25/93/39/483259339.db2.gz JWVVUUBRTVLPMI-HUUCEWRRSA-N 2 0 287.407 1.544 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000136344491 483393674 /nfs/dbraw/zinc/39/36/74/483393674.db2.gz XUZCFAOPTRXEMJ-HOTGVXAUSA-N 2 0 289.423 1.751 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCCC[NH+]2C2CC2)C1 ZINC000683387500 483503082 /nfs/dbraw/zinc/50/30/82/483503082.db2.gz YWMBXJVGIUHDKR-ZFWWWQNUSA-N 2 0 294.443 1.397 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cc(C)no1)[NH+](C)C ZINC001482889437 1160640781 /nfs/dbraw/zinc/64/07/81/1160640781.db2.gz CFQGBNKDHHZYDM-FZMZJTMJSA-N 2 0 296.415 1.308 10 0 CDAERP CC(C)(C[NH3+])CN1CCC([NH+]2CCCCC2)CC1 ZINC000051249908 519230906 /nfs/dbraw/zinc/23/09/06/519230906.db2.gz UWLGXMMUGAKJSH-UHFFFAOYSA-N 2 0 253.434 1.922 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)[N@H+](C)CCC(C)C)[NH+](C)C ZINC001409573269 1160855248 /nfs/dbraw/zinc/85/52/48/1160855248.db2.gz JWPXHYKBLJUHSC-UONOGXRCSA-N 2 0 271.449 1.809 10 0 CDAERP CC(C)[NH2+]Cc1cn(CC[N@@H+]2C[C@H]3CC[C@@H]2C3)nn1 ZINC000052543855 519728787 /nfs/dbraw/zinc/72/87/87/519728787.db2.gz PTFJKHFAJIBZEX-GXTWGEPZSA-N 2 0 263.389 1.260 10 0 CDAERP CC[NH2+]CC1(C[N@H+](C)[C@H]2CCSC2)CCOCC1 ZINC000052181484 519912625 /nfs/dbraw/zinc/91/26/25/519912625.db2.gz MLBMEVAJRRUYMU-ZDUSSCGKSA-N 2 0 272.458 1.830 10 0 CDAERP CCC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](CCCC(=O)NC)C1 ZINC000068815683 519986776 /nfs/dbraw/zinc/98/67/76/519986776.db2.gz YOESECQQKDRFQC-UONOGXRCSA-N 2 0 269.433 1.613 10 0 CDAERP CCO[C@@H](C[NH3+])CCN1CCC([NH+]2CCCCC2)CC1 ZINC000062740985 520308149 /nfs/dbraw/zinc/30/81/49/520308149.db2.gz GURDPELNBOYYSO-MRXNPFEDSA-N 2 0 283.460 1.691 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)N(C)Cc1cncs1 ZINC001485285565 1161274543 /nfs/dbraw/zinc/27/45/43/1161274543.db2.gz FQJZKNNUFHMLEG-YPMHNXCESA-N 2 0 296.440 1.174 10 0 CDAERP C[NH2+]Cc1cc(CN2CC[NH+](C(C)C)CC2)c(C)o1 ZINC000052480141 522105671 /nfs/dbraw/zinc/10/56/71/522105671.db2.gz HFZATGZPYPFVGT-UHFFFAOYSA-N 2 0 265.401 1.833 10 0 CDAERP C[NH2+]Cc1cc(C[N@H+](CCOC)CC(C)C)on1 ZINC000052508555 522106583 /nfs/dbraw/zinc/10/65/83/522106583.db2.gz DNBACLZHDHPLHO-UHFFFAOYSA-N 2 0 255.362 1.498 10 0 CDAERP CCCC[NH2+]C[C@H](C)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001732422934 1182958287 /nfs/dbraw/zinc/95/82/87/1182958287.db2.gz MIEZUWVWJPZMBZ-ZDUSSCGKSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)CN(CC[NH+](C)C)Cc1csc(C[NH3+])n1 ZINC000052503344 519716699 /nfs/dbraw/zinc/71/66/99/519716699.db2.gz VPSHOXDQGRCUJN-UHFFFAOYSA-N 2 0 270.446 1.621 10 0 CDAERP CC(C)[NH2+]CC1(C[N@H+](C)C[C@@H]2CCCO2)CCOCC1 ZINC000052182979 519719894 /nfs/dbraw/zinc/71/98/94/519719894.db2.gz ZWLORCYMBJEFDK-HNNXBMFYSA-N 2 0 284.444 1.892 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H]2CN(C)C)O1 ZINC000061654513 519723971 /nfs/dbraw/zinc/72/39/71/519723971.db2.gz RVXVUKWXFRUPTC-OWCLPIDISA-N 2 0 283.460 1.558 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)[C@H]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC000055139141 519814229 /nfs/dbraw/zinc/81/42/29/519814229.db2.gz PZQJXPFCVFFEHV-RFGFWPKPSA-N 2 0 269.433 1.452 10 0 CDAERP CCC[NH+]1CCN(CC[NH2+]C2CCCCC2)CC1 ZINC000053341580 519858330 /nfs/dbraw/zinc/85/83/30/519858330.db2.gz NIPMNPKBGPQPCR-UHFFFAOYSA-N 2 0 253.434 1.936 10 0 CDAERP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CC[N@H+](C)CC ZINC000054602286 519909591 /nfs/dbraw/zinc/90/95/91/519909591.db2.gz GBSZPPVNIWEVRO-GOOCMWNKSA-N 2 0 253.434 1.933 10 0 CDAERP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C[C@@H]1CC[N@H+](C)C1 ZINC000054602142 519909648 /nfs/dbraw/zinc/90/96/48/519909648.db2.gz MNHGHQYLJVTVLT-WZYMTQMTSA-N 2 0 265.445 1.933 10 0 CDAERP CCC[NH2+]CC1(CN2CCC([NH+](C)C)CC2)CCOCC1 ZINC000052181709 519910359 /nfs/dbraw/zinc/91/03/59/519910359.db2.gz LKAKVOXKFWVJGT-UHFFFAOYSA-N 2 0 297.487 1.809 10 0 CDAERP CCC[NH2+]CC1(CN2CC[NH+](CC)CC2)CCOCC1 ZINC000052180615 519910779 /nfs/dbraw/zinc/91/07/79/519910779.db2.gz GJGLETWNDGOSHL-UHFFFAOYSA-N 2 0 283.460 1.420 10 0 CDAERP CC[NH2+]CC1(CN2CCC([NH+](C)C)CC2)CCOCC1 ZINC000052181707 519913234 /nfs/dbraw/zinc/91/32/34/519913234.db2.gz RINOKUJKJFJPOA-UHFFFAOYSA-N 2 0 283.460 1.419 10 0 CDAERP CCC[NH2+]CCNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000236785884 519915422 /nfs/dbraw/zinc/91/54/22/519915422.db2.gz BUWUIOSACKATPE-CHWSQXEVSA-N 2 0 255.406 1.400 10 0 CDAERP CCC[NH2+]C[C@@H](C(C)C)N1CCN(CC[NH+](C)C)CC1 ZINC000061655018 519920209 /nfs/dbraw/zinc/92/02/09/519920209.db2.gz NVRVWEHDLFZKPK-INIZCTEOSA-N 2 0 284.492 1.190 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)Cc2ccccn2)O1 ZINC000052478881 519951408 /nfs/dbraw/zinc/95/14/08/519951408.db2.gz HPLREGQRDXAHNQ-GJZGRUSLSA-N 2 0 263.385 1.671 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@@H](C[N@@H+]2CCC[C@@H]2CN(C)C)O1 ZINC000061654507 519952868 /nfs/dbraw/zinc/95/28/68/519952868.db2.gz JDYIMROGAMTHFM-ILXRZTDVSA-N 2 0 269.433 1.170 10 0 CDAERP CCC[NH2+]Cc1cn(CC[N@H+](CC)C(C)C)nn1 ZINC000052446856 519963023 /nfs/dbraw/zinc/96/30/23/519963023.db2.gz LRDXFFDGUIZOTE-UHFFFAOYSA-N 2 0 253.394 1.508 10 0 CDAERP CCOCC[NH2+]CCN(C)C1CC[NH+](CC)CC1 ZINC000053435731 519967193 /nfs/dbraw/zinc/96/71/93/519967193.db2.gz ZQNWEKZSJHKZAA-UHFFFAOYSA-N 2 0 257.422 1.029 10 0 CDAERP CCC[NH2+][C@@H]1CCC[C@H]1CN1CCN(CC[NH+](C)C)CC1 ZINC000061653772 520021861 /nfs/dbraw/zinc/02/18/61/520021861.db2.gz BHGUINGFDBCQOM-DLBZAZTESA-N 2 0 296.503 1.334 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)Nc1cnn(CC[NH+](CC)CC)c1 ZINC000061271662 520172664 /nfs/dbraw/zinc/17/26/64/520172664.db2.gz CLKLVRUVAHTKPB-CYBMUJFWSA-N 2 0 295.431 1.552 10 0 CDAERP CCC[C@@H](C[NH3+])C(=O)N1CC[NH+]([C@H](C)CC)CC1 ZINC000055071280 520705682 /nfs/dbraw/zinc/70/56/82/520705682.db2.gz YHZBRBHZZVKQFH-OLZOCXBDSA-N 2 0 255.406 1.304 10 0 CDAERP CCCCOCC[N@@H+]1CCCN(C[C@@H](C)C[NH3+])CC1 ZINC000049261685 520762211 /nfs/dbraw/zinc/76/22/11/520762211.db2.gz QTUPTHTZLPXEIP-HNNXBMFYSA-N 2 0 271.449 1.406 10 0 CDAERP CC[NH+](CC)[C@@H](CNC(=O)C1CC[NH2+]CC1)c1ccco1 ZINC000236819429 520833228 /nfs/dbraw/zinc/83/32/28/520833228.db2.gz QDCBVWJIHYAFGD-AWEZNQCLSA-N 2 0 293.411 1.778 10 0 CDAERP CCCC[C@@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055078421 521061292 /nfs/dbraw/zinc/06/12/92/521061292.db2.gz URPBAQLTQDCDGB-QWHCGFSZSA-N 2 0 255.406 1.447 10 0 CDAERP CCOC(=O)[C@](C)([NH3+])CCCN1CC[NH+]([C@H](C)CC)CC1 ZINC000055070222 521326440 /nfs/dbraw/zinc/32/64/40/521326440.db2.gz KECZXTJOPWVKEO-GDBMZVCRSA-N 2 0 299.459 1.463 10 0 CDAERP CCC(CC)[C@H](CNC(=O)C[C@@H]1CCC[NH2+]C1)[NH+](C)C ZINC000054308747 521617597 /nfs/dbraw/zinc/61/75/97/521617597.db2.gz DCBVXCCMMYVONA-ZFWWWQNUSA-N 2 0 283.460 1.859 10 0 CDAERP CC[NH+]1CCN([C@@H](C[NH3+])c2ccc(OC)c(C)c2)CC1 ZINC000050596476 521691951 /nfs/dbraw/zinc/69/19/51/521691951.db2.gz KHOWWGYBJPBPIT-HNNXBMFYSA-N 2 0 277.412 1.641 10 0 CDAERP C[NH2+]CCC1CC[NH+](Cc2ccccc2C(N)=O)CC1 ZINC000070189700 521984126 /nfs/dbraw/zinc/98/41/26/521984126.db2.gz KGKVGBLRWHPLAP-UHFFFAOYSA-N 2 0 275.396 1.607 10 0 CDAERP CC[C@@H](C)C[C@@](CC)(C[NH3+])N1CCN(CC[NH+](C)C)CC1 ZINC000061643202 522022138 /nfs/dbraw/zinc/02/21/38/522022138.db2.gz HAIIGPMBMILQHB-SJORKVTESA-N 2 0 298.519 1.709 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)C2(C[NH3+])CCCC2)CC1 ZINC000055071183 522108987 /nfs/dbraw/zinc/10/89/87/522108987.db2.gz WYKOZTYSKTXDBI-CYBMUJFWSA-N 2 0 267.417 1.448 10 0 CDAERP CC[C@@H](C)[NH+]1CCN([C@@H](C[NH3+])Cc2ccccc2)CC1 ZINC000055064583 522128194 /nfs/dbraw/zinc/12/81/94/522128194.db2.gz CHLVTYLTYGMNKU-NVXWUHKLSA-N 2 0 275.440 1.973 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(c2ccc(C[NH2+]C)nn2)CC1 ZINC000055073417 522133538 /nfs/dbraw/zinc/13/35/38/522133538.db2.gz HMMSPBUIFHCDPG-GFCCVEGCSA-N 2 0 263.389 1.117 10 0 CDAERP CCc1nc(N(C)C2CC[NH+](C)CC2)sc1C[NH2+]C ZINC000054994903 522379457 /nfs/dbraw/zinc/37/94/57/522379457.db2.gz NKINEVUPDFIRDO-UHFFFAOYSA-N 2 0 282.457 1.955 10 0 CDAERP C[NH2+][C@@](C)(C[C@H](C)[N@H+](C)CC1CC[NH+](C)CC1)C(=O)[O-] ZINC000068646440 522419341 /nfs/dbraw/zinc/41/93/41/522419341.db2.gz MWLXJNYCGXYEMM-WFASDCNBSA-N 2 0 285.432 1.101 10 0 CDAERP COC[C@H](C)[N@H+](C)CCCOc1ccc(C[NH3+])cc1 ZINC000049026695 522592468 /nfs/dbraw/zinc/59/24/68/522592468.db2.gz CSTYZUSNIPPQHI-ZDUSSCGKSA-N 2 0 266.385 1.881 10 0 CDAERP C[N@H+](CCCC[NH2+]C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000052482696 522734021 /nfs/dbraw/zinc/73/40/21/522734021.db2.gz JDDUQYNSBPQQGQ-GFCCVEGCSA-N 2 0 276.446 1.274 10 0 CDAERP CN1CCC([N@H+](C)CCC[C@@H]2CCCC[NH2+]2)CC1 ZINC000050952404 522788909 /nfs/dbraw/zinc/78/89/09/522788909.db2.gz ANNQSYVPTNTNOP-AWEZNQCLSA-N 2 0 253.434 1.935 10 0 CDAERP C[N@H+](CCC[C@H]1CCCC[NH2+]1)[C@@H]1CCS(=O)(=O)C1 ZINC000050952797 522789022 /nfs/dbraw/zinc/78/90/22/522789022.db2.gz RXMUMCZIBZOPNE-CHWSQXEVSA-N 2 0 274.430 1.028 10 0 CDAERP CN(CC[NH2+]Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000053344230 522866109 /nfs/dbraw/zinc/86/61/09/522866109.db2.gz ZWPWFQGSMBTDPW-UHFFFAOYSA-N 2 0 261.413 1.802 10 0 CDAERP CC[C@]1(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)CCC[NH2+]1 ZINC000364161159 523534163 /nfs/dbraw/zinc/53/41/63/523534163.db2.gz RDJZWHDWICXWEV-IIAWOOMASA-N 2 0 279.428 1.509 10 0 CDAERP COCC[N@H+](Cc1cc(C[NH3+])oc1C)[C@H](C)COC ZINC000052572375 523740728 /nfs/dbraw/zinc/74/07/28/523740728.db2.gz SWKYIHRPMZIMBR-LLVKDONJSA-N 2 0 270.373 1.530 10 0 CDAERP C[NH+]1CCC(CNC(=O)CC[C@H]2CCCC[NH2+]2)CC1 ZINC000050951711 523761641 /nfs/dbraw/zinc/76/16/41/523761641.db2.gz CPXQDFXTFJBNCI-CQSZACIVSA-N 2 0 267.417 1.367 10 0 CDAERP COCC[N@H+](Cc1ccoc1C[NH3+])[C@@H](C)C1CC1 ZINC000052545367 523769702 /nfs/dbraw/zinc/76/97/02/523769702.db2.gz RDSGFMIJROLSMO-NSHDSACASA-N 2 0 252.358 1.985 10 0 CDAERP C[N@@H+]1CCC[C@H](CNC(=O)C2CCC(C[NH3+])CC2)C1 ZINC000055162490 523840557 /nfs/dbraw/zinc/84/05/57/523840557.db2.gz AZRFFYFTMDMQEL-ROKHWSDSSA-N 2 0 267.417 1.210 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCn1cc(C[NH2+]C(C)C)nn1 ZINC000052454179 523869603 /nfs/dbraw/zinc/86/96/03/523869603.db2.gz URZBBSANGWSMAN-ZDUSSCGKSA-N 2 0 267.421 1.754 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000061613493 523949618 /nfs/dbraw/zinc/94/96/18/523949618.db2.gz WSJHQUCBVAVAOW-GOEBONIOSA-N 2 0 289.423 1.672 10 0 CDAERP CC[C@H](C)[NH+]1CCN(Cc2ccccc2C(N)=[NH2+])CC1 ZINC000055067228 523956925 /nfs/dbraw/zinc/95/69/25/523956925.db2.gz BYDYKHDXNQLYFU-ZDUSSCGKSA-N 2 0 274.412 1.887 10 0 CDAERP CC[C@H](C)[NH+]1CCN([C@@H](C[NH3+])c2ccncc2)CC1 ZINC000055064108 523958576 /nfs/dbraw/zinc/95/85/76/523958576.db2.gz IQHHDBYXSOGKCH-ZFWWWQNUSA-N 2 0 262.401 1.498 10 0 CDAERP COc1ccc(C[N@H+](C)CCN2CCC[NH2+]CC2)cc1 ZINC000061275240 524004407 /nfs/dbraw/zinc/00/44/07/524004407.db2.gz MMSDKERVXUHUPY-UHFFFAOYSA-N 2 0 277.412 1.422 10 0 CDAERP C[NH+](C)CC1(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CCC1 ZINC000366023903 524047757 /nfs/dbraw/zinc/04/77/57/524047757.db2.gz IHESUEYCNIQMLG-INIZCTEOSA-N 2 0 299.434 1.799 10 0 CDAERP C[NH+](C)CCN(C(=O)c1ccco1)C1CC[NH+](C)CC1 ZINC000058938547 524059393 /nfs/dbraw/zinc/05/93/93/524059393.db2.gz VXKBDASKEZBQMT-UHFFFAOYSA-N 2 0 279.384 1.378 10 0 CDAERP Cc1cc(C)c(C[NH3+])c(N2CCC[C@H]2C[NH+](C)C)n1 ZINC000061641603 524261419 /nfs/dbraw/zinc/26/14/19/524261419.db2.gz YJYYHBBQSVCOAA-ZDUSSCGKSA-N 2 0 262.401 1.688 10 0 CDAERP C[C@@H]1CCC[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2C)[C@@H]1[NH3+] ZINC000055138652 524267973 /nfs/dbraw/zinc/26/79/73/524267973.db2.gz AGFWLNLKEYSWQF-XJFOESAGSA-N 2 0 267.417 1.350 10 0 CDAERP Cc1ccc(C[NH3+])c(N2CCN(CC[NH+](C)C)CC2)c1 ZINC000061641618 524424888 /nfs/dbraw/zinc/42/48/88/524424888.db2.gz KYRIAZRDTJPQHP-UHFFFAOYSA-N 2 0 276.428 1.137 10 0 CDAERP C[C@H](C[NH2+]C[C@H]1CCCO1)N1CCC[C@@H]1C[NH+](C)C ZINC000061655063 524484776 /nfs/dbraw/zinc/48/47/76/524484776.db2.gz VSBCMJLNOKGOEG-RBSFLKMASA-N 2 0 269.433 1.170 10 0 CDAERP C[C@H]1CN(c2cc(C(N)=[NH2+])c3ccccc3n2)CC[N@@H+]1C ZINC000068798054 524667012 /nfs/dbraw/zinc/66/70/12/524667012.db2.gz KVAWXUJIJNLILW-NSHDSACASA-N 2 0 283.379 1.659 10 0 CDAERP C[C@H]1C[C@@H]([NH3+])CC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000055138546 524790874 /nfs/dbraw/zinc/79/08/74/524790874.db2.gz KLMHQPFKFQHLMZ-XUXIUFHCSA-N 2 0 267.417 1.208 10 0 CDAERP C[C@H]([NH3+])[C@@H](c1ccccn1)N1CCC[C@@H]1C[NH+](C)C ZINC000061642094 524838865 /nfs/dbraw/zinc/83/88/65/524838865.db2.gz QYHQABJSQPTWGW-GUTXKFCHSA-N 2 0 262.401 1.496 10 0 CDAERP C[C@@H](Cn1ccnc1)[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000052205980 524962707 /nfs/dbraw/zinc/96/27/07/524962707.db2.gz TYTXIHOVPOBSSM-UONOGXRCSA-N 2 0 250.390 1.736 10 0 CDAERP C[C@@H]([NH3+])[C@H](c1ccsc1)N1CCN(CC[NH+](C)C)CC1 ZINC000061642406 525018626 /nfs/dbraw/zinc/01/86/26/525018626.db2.gz IPPJAZOBYDGLQS-UKRRQHHQSA-N 2 0 296.484 1.316 10 0 CDAERP Cc1ccc([C@H](C)[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)o1 ZINC000063178829 525884355 /nfs/dbraw/zinc/88/43/55/525884355.db2.gz DHPIURISRPSQHB-STQMWFEESA-N 2 0 279.384 1.436 10 0 CDAERP C[C@H](CC(=O)NCC[C@@H]1CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC000237634975 526239150 /nfs/dbraw/zinc/23/91/50/526239150.db2.gz KNBIJAHRZRQILP-KGLIPLIRSA-N 2 0 281.444 1.518 10 0 CDAERP O=C1CCC[C@@H]1[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062032995 526981687 /nfs/dbraw/zinc/98/16/87/526981687.db2.gz KMWZCNNLAWACFX-AWEZNQCLSA-N 2 0 250.386 1.916 10 0 CDAERP O=S1(=O)CCC[C@H]([NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000069139466 527303905 /nfs/dbraw/zinc/30/39/05/527303905.db2.gz NGVUBSASPNIBPY-KBPBESRZSA-N 2 0 286.441 1.028 10 0 CDAERP CC(C)[NH+](CCNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)C(C)C ZINC000416797839 535069203 /nfs/dbraw/zinc/06/92/03/535069203.db2.gz BMBFQSFZBJTCLL-HUUCEWRRSA-N 2 0 296.459 1.499 10 0 CDAERP CCC[NH+]1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000422735535 535352802 /nfs/dbraw/zinc/35/28/02/535352802.db2.gz FCERAMGKDMYHPF-XYPWUTKMSA-N 3 0 265.445 1.981 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000422700314 536594516 /nfs/dbraw/zinc/59/45/16/536594516.db2.gz GKLXAIFVLQFFJX-CYBMUJFWSA-N 2 0 290.411 1.839 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC000729699691 574821339 /nfs/dbraw/zinc/82/13/39/574821339.db2.gz IJXLKGCICBEQJB-CQSZACIVSA-N 2 0 267.417 1.463 10 0 CDAERP C[NH+]1CCC2(C[NH2+]C[C@H]2C(=O)OC(C)(C)C)CC1 ZINC000757186458 577034547 /nfs/dbraw/zinc/03/45/47/577034547.db2.gz XZSCILNFDLOPLX-NSHDSACASA-N 2 0 254.374 1.260 10 0 CDAERP CCOCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001690035141 1175352013 /nfs/dbraw/zinc/35/20/13/1175352013.db2.gz FHUSGQGPKVHNFQ-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)C(=O)NCC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925510164 617409568 /nfs/dbraw/zinc/40/95/68/617409568.db2.gz SZKUCNASDNNASS-RYUDHWBXSA-N 2 0 255.406 1.254 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CO[C@@H](C)[C@H]1C ZINC000926685838 617447173 /nfs/dbraw/zinc/44/71/73/617447173.db2.gz LZPKTKYGRZAHTQ-LJISPDSOSA-N 2 0 271.449 1.271 10 0 CDAERP CCC[N@H+](CC)CCN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925530235 617462613 /nfs/dbraw/zinc/46/26/13/617462613.db2.gz PWAHRKSAYGUPHQ-CQSZACIVSA-N 2 0 253.434 1.983 10 0 CDAERP C[C@@H]1C[C@@H](N[C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C[N@@H+]1C1CC1 ZINC000925541722 617484042 /nfs/dbraw/zinc/48/40/42/617484042.db2.gz MBOVHKHGXMONLW-LKAFINOVSA-N 2 0 277.456 1.978 10 0 CDAERP C(COC[C@@H]1CCOC1)[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925567912 617516518 /nfs/dbraw/zinc/51/65/18/617516518.db2.gz RQDMUURZTYVKIG-PVAVHDDUSA-N 2 0 296.455 1.797 10 0 CDAERP CN(C)C(=O)CCC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925588723 617535845 /nfs/dbraw/zinc/53/58/45/617535845.db2.gz ZEOKKGIXNPEOAV-NEPJUHHUSA-N 2 0 255.406 1.350 10 0 CDAERP CC1(C)C[C@@H]([NH2+]CCC(=O)Nc2ccccn2)C[C@@H]([NH3+])C1 ZINC000925597969 617541658 /nfs/dbraw/zinc/54/16/58/617541658.db2.gz RRBFQCBMFXBUQN-OLZOCXBDSA-N 2 0 290.411 1.906 10 0 CDAERP C[NH+](C)CCN1CCC([NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925608099 617550280 /nfs/dbraw/zinc/55/02/80/617550280.db2.gz YQUFJMWDFHOYNK-GOEBONIOSA-N 3 0 296.503 1.508 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@@H]2CCCCS2(=O)=O)C1 ZINC000925635055 617581077 /nfs/dbraw/zinc/58/10/77/617581077.db2.gz NZCNMVIYFYPPCZ-UPJWGTAASA-N 2 0 288.457 1.449 10 0 CDAERP Cc1nnc(CC[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)s1 ZINC000925669973 617627859 /nfs/dbraw/zinc/62/78/59/617627859.db2.gz ZXQFALSLDRRBMB-GHMZBOCLSA-N 2 0 268.430 1.885 10 0 CDAERP COC(=O)c1cc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)n(C)c1C ZINC000925770616 617633210 /nfs/dbraw/zinc/63/32/10/617633210.db2.gz XAIOXKSBYNKSRD-NEPJUHHUSA-N 2 0 279.384 1.480 10 0 CDAERP COCC1(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCOCC1 ZINC000925673829 617636173 /nfs/dbraw/zinc/63/61/73/617636173.db2.gz OYAHKSNHHSSDPK-ILXRZTDVSA-N 2 0 296.455 1.796 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1[NH2+]CC[C@H]1CCC2(CCOCC2)CO1 ZINC000925773842 617654294 /nfs/dbraw/zinc/65/42/94/617654294.db2.gz PSXNRHAYMAFMQK-RBSFLKMASA-N 2 0 282.428 1.822 10 0 CDAERP CC1(C)CCC[N@@H+]1CCN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925683951 617666635 /nfs/dbraw/zinc/66/66/35/617666635.db2.gz BRVSHFXSRWSOAQ-QWHCGFSZSA-N 2 0 251.418 1.720 10 0 CDAERP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc2c(c1)OCC(=O)N2 ZINC000925782894 617699524 /nfs/dbraw/zinc/69/95/24/617699524.db2.gz BBWNLDDYTLRZKG-WZRBSPASSA-N 2 0 289.379 1.524 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925786542 617709750 /nfs/dbraw/zinc/70/97/50/617709750.db2.gz PMZWDYMQGYSENW-VNQPRFMTSA-N 3 0 261.413 1.912 10 0 CDAERP CC[C@H]([NH2+]CCN1CCC([NH3+])CC1)C1(C(=O)OC)CCC1 ZINC000925814348 617760958 /nfs/dbraw/zinc/76/09/58/617760958.db2.gz HYLURVUKSHEZMW-AWEZNQCLSA-N 2 0 297.443 1.121 10 0 CDAERP COC[C@H](CC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)OC ZINC000925714456 617824615 /nfs/dbraw/zinc/82/46/15/617824615.db2.gz RHHSANIGROUFMR-HRCADAONSA-N 2 0 284.444 1.796 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000925717672 617837608 /nfs/dbraw/zinc/83/76/08/617837608.db2.gz CTYRUWYPGNILKW-MGPQQGTHSA-N 2 0 256.390 1.017 10 0 CDAERP C[C@H]([NH2+]CC[C@@H]1CC[C@H](C(F)(F)F)O1)C1C[NH2+]C1 ZINC000925828154 617842348 /nfs/dbraw/zinc/84/23/48/617842348.db2.gz DQKYCEHNPLVCHA-INTQDDNPSA-N 2 0 266.307 1.684 10 0 CDAERP CCS(=O)(=O)c1ccccc1CC[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000925834706 617862803 /nfs/dbraw/zinc/86/28/03/617862803.db2.gz OIUAVXWIZNGRDQ-QWHCGFSZSA-N 2 0 298.452 1.738 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cncs1 ZINC000925849694 617886057 /nfs/dbraw/zinc/88/60/57/617886057.db2.gz FAIDMQCXFYEVBL-QWRGUYRKSA-N 2 0 295.408 1.479 10 0 CDAERP C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1 ZINC000925856552 617894731 /nfs/dbraw/zinc/89/47/31/617894731.db2.gz RGLLTKSLIQNFNA-HZSPNIEDSA-N 2 0 280.412 1.840 10 0 CDAERP CC(C)(O)C[N@@H+]1CC[C@H](N[C@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925725053 617933924 /nfs/dbraw/zinc/93/39/24/617933924.db2.gz QGRKMCGHQOVSJN-IHRRRGAJSA-N 2 0 283.460 1.327 10 0 CDAERP COC[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)C(C)C ZINC000925873954 617942297 /nfs/dbraw/zinc/94/22/97/617942297.db2.gz OKVWWDPKSXHWRL-CAOSSQGBSA-N 2 0 284.444 1.652 10 0 CDAERP CC1(C)[C@@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925880903 617964442 /nfs/dbraw/zinc/96/44/42/617964442.db2.gz WRQDITLOHYETQC-BJJPWKGXSA-N 3 0 251.418 1.480 10 0 CDAERP C[C@@H]1NCCC[C@@H]1[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925884458 617972656 /nfs/dbraw/zinc/97/26/56/617972656.db2.gz WXUCMNQDBHKREG-QSPRXWTASA-N 2 0 273.424 1.776 10 0 CDAERP CC(C)CC[C@H](O)C[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000923427121 618332277 /nfs/dbraw/zinc/33/22/77/618332277.db2.gz RNJPOBQFVRXMLL-WOPDTQHZSA-N 2 0 282.350 1.853 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000928437501 619079595 /nfs/dbraw/zinc/07/95/95/619079595.db2.gz WXOFFTFMUGFMGG-TZMCWYRMSA-N 2 0 267.417 1.316 10 0 CDAERP CCC[NH+]1CCC([NH2+]C[C@H](CC)C(=O)OC)CC1 ZINC000895121598 619317033 /nfs/dbraw/zinc/31/70/33/619317033.db2.gz HTEVMLKCSXOXCM-LBPRGKRZSA-N 2 0 256.390 1.650 10 0 CDAERP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cnn(C2CCC2)c1 ZINC000925119847 619385548 /nfs/dbraw/zinc/38/55/48/619385548.db2.gz ZZGMXYNIZCINAM-ZDUSSCGKSA-N 2 0 292.427 1.715 10 0 CDAERP C([NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)[C@H]1CN2CCC[C@@H]2CO1 ZINC000902793086 625407369 /nfs/dbraw/zinc/40/73/69/625407369.db2.gz FKHASMIHBYLLRN-ZQAIGRKTSA-N 2 0 292.423 1.253 10 0 CDAERP CCO[C@@H](CNC1CC[NH+](C(C)C)CC1)C[NH+](C)C ZINC000926965136 621635596 /nfs/dbraw/zinc/63/55/96/621635596.db2.gz PRUQZLLAXRKGPQ-HNNXBMFYSA-N 2 0 271.449 1.416 10 0 CDAERP CC[N@H+](CC(=O)N[C@H]1CCCN(CCF)C1)C1CC1 ZINC000898495218 621765529 /nfs/dbraw/zinc/76/55/29/621765529.db2.gz KBLFMFODMYJPAI-LBPRGKRZSA-N 2 0 271.380 1.021 10 0 CDAERP CC[NH+]1CCC(CNC(=[NH2+])N[C@@H](C)C2CC2)CC1 ZINC000899265207 622128720 /nfs/dbraw/zinc/12/87/20/622128720.db2.gz UJTKGLLMIIQSIN-NSHDSACASA-N 2 0 252.406 1.631 10 0 CDAERP C[NH+](C)C[C@](C)(O)C[NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1 ZINC000902886385 625575256 /nfs/dbraw/zinc/57/52/56/625575256.db2.gz NQTRCSKUBARGGH-GVDBMIGSSA-N 2 0 298.471 1.874 10 0 CDAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH+]1CCC(C)CC1 ZINC000900407179 623012186 /nfs/dbraw/zinc/01/21/86/623012186.db2.gz YAFPURGCTRJFTB-CQSZACIVSA-N 2 0 279.428 1.319 10 0 CDAERP CN(C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000900666805 623347406 /nfs/dbraw/zinc/34/74/06/623347406.db2.gz WZNNZFHBZDPJKD-PMPSAXMXSA-N 2 0 291.439 1.698 10 0 CDAERP COC[C@@H](CO)[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000902975927 625713408 /nfs/dbraw/zinc/71/34/08/625713408.db2.gz KRZNLCYNLSMLCP-TZMCWYRMSA-N 2 0 275.352 1.530 10 0 CDAERP C([NH2+][C@@H]1CC[NH2+]C12CCC2)[C@]12C[C@H]1COC21CCC1 ZINC000902460014 624848756 /nfs/dbraw/zinc/84/87/56/624848756.db2.gz FGJZJIGUWPPIFL-BFHYXJOUSA-N 2 0 262.397 1.820 10 0 CDAERP CC(C)(C)CC(=O)N1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903431158 625989766 /nfs/dbraw/zinc/98/97/66/625989766.db2.gz FRIYQFFDXQIVGT-KGLIPLIRSA-N 2 0 281.444 1.694 10 0 CDAERP CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903433013 625990907 /nfs/dbraw/zinc/99/09/07/625990907.db2.gz QTWCALJIDWYJPX-HZSPNIEDSA-N 2 0 267.417 1.447 10 0 CDAERP C[N@@H+](Cc1nccn1C(F)F)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903442679 625997578 /nfs/dbraw/zinc/99/75/78/625997578.db2.gz YCKKZIFIGGCQIF-ZJUUUORDSA-N 2 0 258.316 1.837 10 0 CDAERP COC[C@@H](C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1)C(C)C ZINC000903473964 626004727 /nfs/dbraw/zinc/00/47/27/626004727.db2.gz CPOSWBOGVMLTDK-IAGOWNOFSA-N 2 0 298.471 1.996 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C[C@@H]1CC[C@H]3C[C@H]3C1)C2 ZINC000903494341 626011398 /nfs/dbraw/zinc/01/13/98/626011398.db2.gz CTCGAZNCWHRTJS-BMNMPBFRSA-N 2 0 292.423 1.635 10 0 CDAERP [NH3+][C@@H]1CN(CC[C@H]2CC[NH2+]C2)CC[C@@H]1C(F)(F)F ZINC000903539455 626015813 /nfs/dbraw/zinc/01/58/13/626015813.db2.gz IQSRSWSWUSNMKW-OUAUKWLOSA-N 2 0 265.323 1.198 10 0 CDAERP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)N1CC[NH2+]CC12CCCCC2 ZINC000903741669 626080025 /nfs/dbraw/zinc/08/00/25/626080025.db2.gz QPUQKUKKLCOPAG-HZPDHXFCSA-N 2 0 293.455 1.363 10 0 CDAERP C([C@H]1CCCC[NH2+]C1)[N@@H+]1CCOCC2(CCC2)C1 ZINC000903757732 626088245 /nfs/dbraw/zinc/08/82/45/626088245.db2.gz GPIKOPFTUOJJRV-AWEZNQCLSA-N 2 0 252.402 1.879 10 0 CDAERP C([C@@H]1CCCC[NH2+]C1)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903785198 626093544 /nfs/dbraw/zinc/09/35/44/626093544.db2.gz WIBWCPOLWXHETJ-CVEARBPZSA-N 2 0 265.445 1.842 10 0 CDAERP CC(C)(C)C[N@H+](CCO)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903890915 626124771 /nfs/dbraw/zinc/12/47/71/626124771.db2.gz HYXVKKDUDVJDIY-CYBMUJFWSA-N 2 0 295.431 1.043 10 0 CDAERP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000903874059 626127897 /nfs/dbraw/zinc/12/78/97/626127897.db2.gz RJVUXZOVUKELAZ-HZAFXNSLSA-N 3 0 277.456 1.981 10 0 CDAERP COC(=O)[C@@H]1CCC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903877582 626129773 /nfs/dbraw/zinc/12/97/73/626129773.db2.gz BSESESKUBBEZRD-WVMKXHBISA-N 2 0 252.358 1.154 10 0 CDAERP C[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)C[C@H]1CCCOC1 ZINC000903892325 626132210 /nfs/dbraw/zinc/13/22/10/626132210.db2.gz QRKLVUFRWUFMCY-KGLIPLIRSA-N 2 0 293.415 1.061 10 0 CDAERP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCOC[C@H]1C1CC1 ZINC000903895042 626136115 /nfs/dbraw/zinc/13/61/15/626136115.db2.gz JXJCECZDHBMBPJ-FBAPMCOASA-N 2 0 250.386 1.628 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C[C@@H]([NH3+])CC(F)F)[C@@H](C)C1 ZINC000903896133 626136543 /nfs/dbraw/zinc/13/65/43/626136543.db2.gz SMUFEKDIRPIXPP-SRVKXCTJSA-N 2 0 263.376 1.631 10 0 CDAERP COC(=O)[C@@]1(C)CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903898214 626136795 /nfs/dbraw/zinc/13/67/95/626136795.db2.gz MLUCNEXPAJGZRK-FLTXBFBQSA-N 2 0 266.385 1.402 10 0 CDAERP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000903898687 626137493 /nfs/dbraw/zinc/13/74/93/626137493.db2.gz NHDZPCVMMDWUKB-ZKXZWOTCSA-N 2 0 282.453 1.723 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@H+](C)CCOCC2CC2)cnn1C ZINC000903899887 626138057 /nfs/dbraw/zinc/13/80/57/626138057.db2.gz YATVRTPWGZWWCO-OAHLLOKOSA-N 2 0 294.443 1.204 10 0 CDAERP CC[C@@H]1C[C@@H](C)C[N@@H+]1C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903908405 626142139 /nfs/dbraw/zinc/14/21/39/626142139.db2.gz IGXXEYVWNUZAMD-XNRPHZJLSA-N 2 0 278.444 1.966 10 0 CDAERP CC[C@H]([NH2+]C[C@H](C[NH3+])Cc1cnn(C)c1C)[C@H]1CCCO1 ZINC000903922853 626147784 /nfs/dbraw/zinc/14/77/84/626147784.db2.gz GGCXNNXKXKJKPC-CWRNSKLLSA-N 2 0 294.443 1.393 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[NH2+][C@@H]2CCCOCC2)cnn1C ZINC000903924966 626148930 /nfs/dbraw/zinc/14/89/30/626148930.db2.gz AMNUOZMGTJMNQQ-DZGCQCFKSA-N 2 0 280.416 1.005 10 0 CDAERP COC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCCOC1 ZINC000903959178 626159019 /nfs/dbraw/zinc/15/90/19/626159019.db2.gz CQRAZOGDYWMBIS-QCODTGAPSA-N 2 0 282.428 1.406 10 0 CDAERP [NH3+]Cc1nc2c(s1)CCN([C@@H]1CCC[C@@H]([NH3+])C1)C2 ZINC000903945063 626163058 /nfs/dbraw/zinc/16/30/58/626163058.db2.gz PUEFRSGPACJBCM-NXEZZACHSA-N 2 0 266.414 1.230 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(-n2cncn2)c(F)c1 ZINC000903963971 626171064 /nfs/dbraw/zinc/17/10/64/626171064.db2.gz BOOBJWCMIOYGHG-YPMHNXCESA-N 2 0 289.358 1.352 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000903967013 626172151 /nfs/dbraw/zinc/17/21/51/626172151.db2.gz DAGOKCSCQBBJSK-DOMZBBRYSA-N 3 0 259.397 1.277 10 0 CDAERP CC[N@H+](CCNC(=[NH2+])NC[C@@H]1CCCS1)C(C)C ZINC000905041952 626381365 /nfs/dbraw/zinc/38/13/65/626381365.db2.gz LWDBNCRQVSFJSF-LBPRGKRZSA-N 2 0 272.462 1.726 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)c1nc(C2([NH3+])CCC2)no1 ZINC000905305283 626756195 /nfs/dbraw/zinc/75/61/95/626756195.db2.gz RGXLCXKOSZIQIO-VIFPVBQESA-N 2 0 252.362 1.668 10 0 CDAERP C[NH+](C)CCCNC(=S)N1CCC(C)([NH+]2CCC2)CC1 ZINC000905547536 626866775 /nfs/dbraw/zinc/86/67/75/626866775.db2.gz FMCLFVAAHFXUDL-UHFFFAOYSA-N 2 0 298.500 1.373 10 0 CDAERP C[C@H](NC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)C1=CC[NH+](C)CC1 ZINC000907282788 627590834 /nfs/dbraw/zinc/59/08/34/627590834.db2.gz QQSYNZDPIXFGQE-BPUTZDHNSA-N 2 0 291.439 1.770 10 0 CDAERP O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000911582116 629339513 /nfs/dbraw/zinc/33/95/13/629339513.db2.gz LSCQOAIFCFYFHL-LVQVYYBASA-N 2 0 291.439 1.746 10 0 CDAERP C[NH+]1C[C@]2(C)CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@@]2(C)C1 ZINC000913273893 630426547 /nfs/dbraw/zinc/42/65/47/630426547.db2.gz ICVXJIBEYQLPCC-FVQBIDKESA-N 2 0 279.428 1.128 10 0 CDAERP CC1CC[NH+](CC(=O)N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)CC1 ZINC000913283788 630434948 /nfs/dbraw/zinc/43/49/48/630434948.db2.gz RFCXHYIYZACSPO-CALCHBBNSA-N 2 0 293.455 1.519 10 0 CDAERP C[C@@H](C(=O)NC12CC[NH+](CC1)C2)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000913629152 630718957 /nfs/dbraw/zinc/71/89/57/630718957.db2.gz ZAJADPMXJIYUCP-XQQFMLRXSA-N 2 0 265.401 1.212 10 0 CDAERP C[C@@H]1[C@H](NC(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)CC[N@@H+]1C ZINC000914151314 631069768 /nfs/dbraw/zinc/06/97/68/631069768.db2.gz ZWKNUPNAFZVSKV-YIYPIFLZSA-N 2 0 280.416 1.005 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+]Cc2ccnn2C2CCC2)CC1 ZINC000921769296 633283208 /nfs/dbraw/zinc/28/32/08/633283208.db2.gz HGPNESXDDAURDP-UHFFFAOYSA-N 2 0 278.400 1.154 10 0 CDAERP CC[N@H+](C)CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001690983188 1158513485 /nfs/dbraw/zinc/51/34/85/1158513485.db2.gz AEMPKNNGFCZCMZ-CHWSQXEVSA-N 2 0 253.390 1.071 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1CC=C(C)C ZINC001670707070 1158700840 /nfs/dbraw/zinc/70/08/40/1158700840.db2.gz JUXUVIRJOXGNAR-AWEZNQCLSA-N 2 0 267.417 1.485 10 0 CDAERP CCC[NH2+]CCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001691359895 1159034218 /nfs/dbraw/zinc/03/42/18/1159034218.db2.gz HRBHLRWSILJEMJ-KGLIPLIRSA-N 2 0 267.417 1.461 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001671368879 1159141457 /nfs/dbraw/zinc/14/14/57/1159141457.db2.gz NKRBYNQBFLKUDO-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@@H](C)C[NH+]1CC(NC(=O)CC[N@H+](C)CC)C1 ZINC001267664378 1159561326 /nfs/dbraw/zinc/56/13/26/1159561326.db2.gz FUOPWQZFPYWKRR-GFCCVEGCSA-N 2 0 255.406 1.175 10 0 CDAERP CC[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001670807761 1160170315 /nfs/dbraw/zinc/17/03/15/1160170315.db2.gz QGYFHKPXFMGSMC-CHWSQXEVSA-N 2 0 265.401 1.262 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccccc1)N(C)C(=O)C[NH+]1CCCC1 ZINC001482364820 1160180075 /nfs/dbraw/zinc/18/00/75/1160180075.db2.gz QNISKHZCCLOKGF-HNNXBMFYSA-N 2 0 289.423 1.719 10 0 CDAERP CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001484109223 1161254814 /nfs/dbraw/zinc/25/48/14/1161254814.db2.gz WPSFFYJUVHZLQZ-DZGCQCFKSA-N 2 0 267.417 1.319 10 0 CDAERP C[NH+](C)C[C@@H]1CN(c2ccc(Cl)cn2)C[C@H]1C[NH+](C)C ZINC000866012872 1164721331 /nfs/dbraw/zinc/72/13/31/1164721331.db2.gz SZYNLCPPTPMKIJ-CHWSQXEVSA-N 2 0 296.846 1.911 10 0 CDAERP CC[C@H](C[C@H](C)O)[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000866635125 1164800481 /nfs/dbraw/zinc/80/04/81/1164800481.db2.gz XLOSHVSKZMNYLD-ZQNQSHIBSA-N 2 0 254.418 1.998 10 0 CDAERP CC1(C)CC(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000866711186 1164813258 /nfs/dbraw/zinc/81/32/58/1164813258.db2.gz DUNACCZMSNCYJI-MJBXVCDLSA-N 2 0 293.411 1.290 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1C ZINC001629121228 1166116662 /nfs/dbraw/zinc/11/66/62/1166116662.db2.gz FBZRWTRJYSYHLD-XDQVBPFNSA-N 2 0 267.417 1.316 10 0 CDAERP Cc1cc(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000390712665 1166986015 /nfs/dbraw/zinc/98/60/15/1166986015.db2.gz AVTJHLLYTMOBAO-HNNXBMFYSA-N 2 0 297.406 1.553 10 0 CDAERP CC(C)=CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001566713128 1168398538 /nfs/dbraw/zinc/39/85/38/1168398538.db2.gz XBVKELNZERZZFP-BMFZPTHFSA-N 2 0 293.455 1.777 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001567741078 1168945385 /nfs/dbraw/zinc/94/53/85/1168945385.db2.gz HJUSODWINQHGSH-HOTGVXAUSA-N 2 0 293.455 1.685 10 0 CDAERP COCCCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001569362440 1169802710 /nfs/dbraw/zinc/80/27/10/1169802710.db2.gz ARNFOEFUKRYVPE-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]2C[NH2+]CCCF)C1 ZINC001569556270 1169922339 /nfs/dbraw/zinc/92/23/39/1169922339.db2.gz ZLKXRAAITLYAQX-KBPBESRZSA-N 2 0 285.407 1.268 10 0 CDAERP CCC[NH2+]CCN(CCO)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001569950645 1170044069 /nfs/dbraw/zinc/04/40/69/1170044069.db2.gz PHLJCTLGQJRIKN-OAHLLOKOSA-N 2 0 299.459 1.070 10 0 CDAERP CC/C=C/CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001571191475 1170344524 /nfs/dbraw/zinc/34/45/24/1170344524.db2.gz DDNZNESHDMXZKR-VCMBOFEFSA-N 2 0 293.455 1.779 10 0 CDAERP CCC[N@H+](C)CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001660414095 1172212053 /nfs/dbraw/zinc/21/20/53/1172212053.db2.gz QXODUUARDVAGCS-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]CCCF)C1CC1 ZINC001661143677 1172342948 /nfs/dbraw/zinc/34/29/48/1172342948.db2.gz ZLDBWJVAHXSWAF-UONOGXRCSA-N 2 0 285.407 1.315 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NCCC[C@@H]2CCC[NH+]2CCCF)C1 ZINC001663123472 1172637809 /nfs/dbraw/zinc/63/78/09/1172637809.db2.gz HDYVCHASDGFZPN-LSDHHAIUSA-N 2 0 299.434 1.659 10 0 CDAERP CCC[NH2+]CC1(NC(=O)[C@@]23CC[N@H+](C2)CCC3)CCCC1 ZINC001665958985 1173092218 /nfs/dbraw/zinc/09/22/18/1173092218.db2.gz HTFGXCJUUTYHRW-INIZCTEOSA-N 2 0 293.455 1.901 10 0 CDAERP CCCC[NH2+]C1CC(N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001677448460 1174361974 /nfs/dbraw/zinc/36/19/74/1174361974.db2.gz JNYVGNLRIDFTQV-UHFFFAOYSA-N 2 0 269.433 1.706 10 0 CDAERP CCOCC[NH2+]C[C@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001690487600 1175481178 /nfs/dbraw/zinc/48/11/78/1175481178.db2.gz YXIOBEGSBDATSP-OAHLLOKOSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](C[NH2+]CCCF)C1 ZINC001691857669 1175637876 /nfs/dbraw/zinc/63/78/76/1175637876.db2.gz NIRDJTPTEVCOQP-CABCVRRESA-N 2 0 299.434 1.659 10 0 CDAERP CC/C=C\CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001698553649 1175837323 /nfs/dbraw/zinc/83/73/23/1175837323.db2.gz RJGVCGZXPIQIHN-IDTUSYRASA-N 2 0 281.444 1.875 10 0 CDAERP C[C@H](CC[NH2+]Cc1ccccc1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001699088430 1176085392 /nfs/dbraw/zinc/08/53/92/1176085392.db2.gz PIQYOOCCRNUHLA-ZBFHGGJFSA-N 2 0 289.423 1.765 10 0 CDAERP C[C@@H](CC[NH2+]CC1CCCC1)NC(=O)CC[NH+](C)C ZINC001699131976 1176106326 /nfs/dbraw/zinc/10/63/26/1176106326.db2.gz UQNARKKMRIKVLB-ZDUSSCGKSA-N 2 0 269.433 1.613 10 0 CDAERP COCC[NH2+]C[C@@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001699368313 1176325150 /nfs/dbraw/zinc/32/51/50/1176325150.db2.gz ASSMYDWMKFHYLC-CYBMUJFWSA-N 2 0 299.459 1.380 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001699670122 1176561807 /nfs/dbraw/zinc/56/18/07/1176561807.db2.gz FZUNPIZAZQXNBX-KBPBESRZSA-N 2 0 281.444 1.898 10 0 CDAERP CC/C=C/CC[NH2+][C@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001700793855 1177135894 /nfs/dbraw/zinc/13/58/94/1177135894.db2.gz BKBCZMDGFUHFJD-LLYBFZRZSA-N 2 0 293.455 1.875 10 0 CDAERP C[C@H]1[C@H]([NH2+]CCCF)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001700863331 1177171658 /nfs/dbraw/zinc/17/16/58/1177171658.db2.gz YKDXEFXQJYYHAY-LSDHHAIUSA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001707383907 1178007069 /nfs/dbraw/zinc/00/70/69/1178007069.db2.gz YVZYNKRCOSIVFV-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP C[NH+]1CCC(C[NH2+]C[C@H](O)CC2CCCC2)CC1 ZINC000232130508 1178186075 /nfs/dbraw/zinc/18/60/75/1178186075.db2.gz ZSOYPFNHDQBCQZ-OAHLLOKOSA-N 2 0 254.418 1.859 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NCCC[NH+](C)CC2CCCC2)C1 ZINC001712971885 1178275836 /nfs/dbraw/zinc/27/58/36/1178275836.db2.gz CYDWGBUZTQWQKB-HNNXBMFYSA-N 2 0 295.471 1.957 10 0 CDAERP CC[N@H+](CCCNC(=O)C[NH+](C)C1CCC1)C(C)C ZINC001713014293 1178303028 /nfs/dbraw/zinc/30/30/28/1178303028.db2.gz BPRGYULRPBQXCF-UHFFFAOYSA-N 2 0 269.433 1.707 10 0 CDAERP CC[N@H+](CCF)CCCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001713024453 1178313237 /nfs/dbraw/zinc/31/32/37/1178313237.db2.gz APQYNOYUBSOGAC-CYBMUJFWSA-N 2 0 273.396 1.126 10 0 CDAERP CCCC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001713126043 1178382349 /nfs/dbraw/zinc/38/23/49/1178382349.db2.gz ZGUOOTCKERRTSD-KBPBESRZSA-N 2 0 267.417 1.223 10 0 CDAERP Cc1oncc1C[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001713602586 1178677522 /nfs/dbraw/zinc/67/75/22/1178677522.db2.gz REZZKPDBHRKSHU-AWEZNQCLSA-N 2 0 296.415 1.117 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001713966262 1178897541 /nfs/dbraw/zinc/89/75/41/1178897541.db2.gz PBKKOGHBYNTEJS-IHRRRGAJSA-N 2 0 265.401 1.141 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001714154393 1178990180 /nfs/dbraw/zinc/99/01/80/1178990180.db2.gz UTQGUWWYZFXPCN-UONOGXRCSA-N 2 0 269.433 1.563 10 0 CDAERP CCC[N@H+](C)CC(=O)NCCC[C@H]1CCC[NH+]1CC ZINC001714533384 1179189431 /nfs/dbraw/zinc/18/94/31/1179189431.db2.gz JWTCNLIHFAMNRP-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP CCCCCC[N@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001714570806 1179225499 /nfs/dbraw/zinc/22/54/99/1179225499.db2.gz HXOWDMVKJMYBIR-UHFFFAOYSA-N 2 0 281.444 1.711 10 0 CDAERP CC[C@@H](C)C[NH2+]CCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001714722985 1179358585 /nfs/dbraw/zinc/35/85/85/1179358585.db2.gz JBNLBVYXQBIBKN-OAHLLOKOSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@H](C[NH2+]C/C=C/Cl)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001714821757 1179410732 /nfs/dbraw/zinc/41/07/32/1179410732.db2.gz IIFVANXELRFEKV-PBYRWIMMSA-N 2 0 287.835 1.517 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCCF)[C@@H](C)C1 ZINC001715096738 1179549851 /nfs/dbraw/zinc/54/98/51/1179549851.db2.gz HISXSBZFTMGWFF-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@@](C[NH2+]C/C=C\Cl)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001715121741 1179558730 /nfs/dbraw/zinc/55/87/30/1179558730.db2.gz BWCKFMWVEKZGIL-QZDDGCDVSA-N 2 0 299.846 1.709 10 0 CDAERP CCCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001715605854 1179731469 /nfs/dbraw/zinc/73/14/69/1179731469.db2.gz QFBRJOMRJZENEZ-CABCVRRESA-N 2 0 299.459 1.116 10 0 CDAERP CCC[NH2+]CC[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001715656936 1179754430 /nfs/dbraw/zinc/75/44/30/1179754430.db2.gz SANHBJDFDIETPP-LBPRGKRZSA-N 2 0 255.406 1.365 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(CC)CC[NH2+]CC ZINC001715735290 1179785409 /nfs/dbraw/zinc/78/54/09/1179785409.db2.gz BSZPFTJSDSZLBV-CYBMUJFWSA-N 2 0 255.406 1.319 10 0 CDAERP CC[C@H](C[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@@H+]1C)OC ZINC001715741704 1179787428 /nfs/dbraw/zinc/78/74/28/1179787428.db2.gz FGXQJVGLOVYNTB-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP CC[NH2+]C/C=C\CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001715880614 1179894775 /nfs/dbraw/zinc/89/47/75/1179894775.db2.gz YQWUDBWMAQXMNR-LMVHVUTASA-N 2 0 267.417 1.533 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC1CC1 ZINC001715932323 1179925894 /nfs/dbraw/zinc/92/58/94/1179925894.db2.gz KVEBJEDOLDGCAG-TZMCWYRMSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001715955337 1179940402 /nfs/dbraw/zinc/94/04/02/1179940402.db2.gz SVNJWCXXUUDXEJ-ZIAGYGMSSA-N 2 0 267.417 1.389 10 0 CDAERP COCCC[N@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001716033485 1180007040 /nfs/dbraw/zinc/00/70/40/1180007040.db2.gz FITJVYCPGNOUEY-AWEZNQCLSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@@H](CC[NH2+]CCCF)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001716150523 1180073706 /nfs/dbraw/zinc/07/37/06/1180073706.db2.gz IZWOVMOWPYPURG-QWHCGFSZSA-N 2 0 273.396 1.315 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CC[NH2+]Cc1cccnc1 ZINC001716198486 1180093672 /nfs/dbraw/zinc/09/36/72/1180093672.db2.gz OGOLAQNFJAOTII-AWEZNQCLSA-N 2 0 292.427 1.406 10 0 CDAERP Cc1cc(C[NH2+]C/C=C/CNC(=O)CC[NH+](C)C)sn1 ZINC001716339245 1180160740 /nfs/dbraw/zinc/16/07/40/1180160740.db2.gz BLZMGCNHUARIOW-SNAWJCMRSA-N 2 0 296.440 1.165 10 0 CDAERP CN(CCC[NH2+]CCF)C(=O)C[N@H+](C)CC(C)(C)C ZINC001716566997 1180286472 /nfs/dbraw/zinc/28/64/72/1180286472.db2.gz DWJDVZBPUGQKCI-UHFFFAOYSA-N 2 0 275.412 1.372 10 0 CDAERP COCC[NH+]1CCC(C)(NC(=O)CCCC[NH+](C)C)CC1 ZINC001716799668 1180419931 /nfs/dbraw/zinc/41/99/31/1180419931.db2.gz JHWDBVIVXREUFO-UHFFFAOYSA-N 2 0 299.459 1.335 10 0 CDAERP CCCC[NH2+][C@@H](C)[C@H]1CN(C(=O)CC[N@H+](C)CC)CCO1 ZINC001717618636 1180761834 /nfs/dbraw/zinc/76/18/34/1180761834.db2.gz KYXVWDASBZJZBA-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001717643306 1180771152 /nfs/dbraw/zinc/77/11/52/1180771152.db2.gz VXZUOZGUEJSSJT-RBSFLKMASA-N 2 0 281.444 1.755 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001717880195 1180909070 /nfs/dbraw/zinc/90/90/70/1180909070.db2.gz ZWAZOCKTQHUUHI-CHWSQXEVSA-N 2 0 255.406 1.223 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]C[C@@H](C)OC ZINC001723204491 1181526165 /nfs/dbraw/zinc/52/61/65/1181526165.db2.gz RKDNNAVPKYEFOZ-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@@H](C)C1 ZINC001723872266 1181614194 /nfs/dbraw/zinc/61/41/94/1181614194.db2.gz DOWDBKMTTMBMFY-KBPBESRZSA-N 2 0 269.433 1.707 10 0 CDAERP CCOCC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)[C@H](C)C1 ZINC001723878913 1181614490 /nfs/dbraw/zinc/61/44/90/1181614490.db2.gz YKQFHORRHYUUJR-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP C[NH+]1CCC(CC(=O)N2CC[C@H](CC[NH2+]CCF)C2)CC1 ZINC001724728897 1181735038 /nfs/dbraw/zinc/73/50/38/1181735038.db2.gz PCWNADNDDHEZQX-HNNXBMFYSA-N 2 0 299.434 1.516 10 0 CDAERP CCC[NH2+]CC1CC(NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001725061921 1181840010 /nfs/dbraw/zinc/84/00/10/1181840010.db2.gz CTTKUNCFGJDTBF-UHFFFAOYSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001725663511 1182091244 /nfs/dbraw/zinc/09/12/44/1182091244.db2.gz SZPVHCUDMJOQBZ-JKSUJKDBSA-N 2 0 293.455 1.923 10 0 CDAERP CC1CC(C[N@H+](C)CCCNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001731278437 1182289990 /nfs/dbraw/zinc/28/99/90/1182289990.db2.gz UDTVIMPMTIJFLE-PCKAHOCUSA-N 2 0 295.471 1.812 10 0 CDAERP CCCCC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001731398971 1182360970 /nfs/dbraw/zinc/36/09/70/1182360970.db2.gz MMNVTHDTNBUFBP-AWEZNQCLSA-N 2 0 281.444 1.851 10 0 CDAERP CC(C)[N@H+](C)C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001731421154 1182376512 /nfs/dbraw/zinc/37/65/12/1182376512.db2.gz FCBYADPADLBOQJ-CQSZACIVSA-N 2 0 269.433 1.517 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001731459332 1182399533 /nfs/dbraw/zinc/39/95/33/1182399533.db2.gz IXZVDRWJXHGPBM-MGPQQGTHSA-N 2 0 267.417 1.365 10 0 CDAERP CCCC[NH2+]C[C@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001731530413 1182437544 /nfs/dbraw/zinc/43/75/44/1182437544.db2.gz IQLKMQUGSSFSTF-OAHLLOKOSA-N 2 0 283.460 1.957 10 0 CDAERP COCC[NH2+][C@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001731608023 1182476047 /nfs/dbraw/zinc/47/60/47/1182476047.db2.gz IMAOWDLJPYLQCV-CQSZACIVSA-N 2 0 299.459 1.239 10 0 CDAERP CC/C=C/CC[NH2+][C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001731633885 1182493062 /nfs/dbraw/zinc/49/30/62/1182493062.db2.gz OTWWUNFMRWGVNJ-NNTXTVRGSA-N 2 0 279.428 1.533 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCCF)C1 ZINC001731660356 1182506943 /nfs/dbraw/zinc/50/69/43/1182506943.db2.gz PAVMTJVAXWYTSB-CABCVRRESA-N 2 0 299.434 1.659 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001731773263 1182557820 /nfs/dbraw/zinc/55/78/20/1182557820.db2.gz URRNAQFFNVRLLB-CYBMUJFWSA-N 2 0 269.433 1.565 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001731860340 1182633180 /nfs/dbraw/zinc/63/31/80/1182633180.db2.gz ZTQZTMMEHDQKDC-HNNXBMFYSA-N 2 0 295.471 1.957 10 0 CDAERP CC[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001731960398 1182700359 /nfs/dbraw/zinc/70/03/59/1182700359.db2.gz FSSJGHFFEXYMCZ-STQMWFEESA-N 2 0 253.390 1.071 10 0 CDAERP CCC/C=C/CC[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001731983695 1182714503 /nfs/dbraw/zinc/71/45/03/1182714503.db2.gz LHCQZRMKKBCASS-LFAOLKIESA-N 2 0 281.444 1.733 10 0 CDAERP C[C@@H]1[C@H](C(=O)N[C@](C)(C[NH2+]CCF)C2CC2)CC[N@@H+]1C ZINC001732287455 1182896515 /nfs/dbraw/zinc/89/65/15/1182896515.db2.gz SYOMTSHELUHVMT-UXIGCNINSA-N 2 0 285.407 1.171 10 0 CDAERP CCC[NH2+]C[C@@H](C)N(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001732446222 1182969977 /nfs/dbraw/zinc/96/99/77/1182969977.db2.gz AUGKGQYHLBSMLR-CQSZACIVSA-N 2 0 283.460 1.953 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCCOC)[C@@H](C)C1 ZINC001732495690 1182989929 /nfs/dbraw/zinc/98/99/29/1182989929.db2.gz OAYRRPQDXKOKRQ-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@H]2CC[NH2+]CCCF)C1 ZINC001732520577 1182995053 /nfs/dbraw/zinc/99/50/53/1182995053.db2.gz TWJOPITZQPPNFF-CABCVRRESA-N 2 0 299.434 1.659 10 0 CDAERP COCCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001732544233 1183003417 /nfs/dbraw/zinc/00/34/17/1183003417.db2.gz OANFKJMNGDRIKV-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@H](F)C[NH2+]CC[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001732711755 1183095311 /nfs/dbraw/zinc/09/53/11/1183095311.db2.gz VKNKONXWJCQEMO-KBPBESRZSA-N 2 0 299.434 1.847 10 0 CDAERP COCC[NH2+]CCCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001733106356 1183292341 /nfs/dbraw/zinc/29/23/41/1183292341.db2.gz FZWLXDUJRWVDIR-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]CCC(C)(C)C)C2CC2)C1 ZINC001733190917 1183324513 /nfs/dbraw/zinc/32/45/13/1183324513.db2.gz QZKTVZXNJPWLHY-LSDHHAIUSA-N 2 0 295.471 1.859 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001733223929 1183350823 /nfs/dbraw/zinc/35/08/23/1183350823.db2.gz QRHLTJALVPWKNL-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]CCC2CC2)CC1 ZINC001733265182 1183377203 /nfs/dbraw/zinc/37/72/03/1183377203.db2.gz OGXUEMBDEMEMRV-UHFFFAOYSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]2C[NH2+]C/C=C/Cl)C1 ZINC001733349060 1183405315 /nfs/dbraw/zinc/40/53/15/1183405315.db2.gz YDXRWURKJMZJLQ-IVDJAJHCSA-N 2 0 299.846 1.661 10 0 CDAERP CC(C)=CC[NH+]1CC([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001734125492 1183667939 /nfs/dbraw/zinc/66/79/39/1183667939.db2.gz ISVGPBYSQIGDOV-AWEZNQCLSA-N 2 0 279.428 1.485 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001734219485 1183694926 /nfs/dbraw/zinc/69/49/26/1183694926.db2.gz QBZJBSUQZMWQPU-KBUPBQIOSA-N 2 0 299.434 1.561 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]CC=C(C)C)C1 ZINC001734218602 1183695133 /nfs/dbraw/zinc/69/51/33/1183695133.db2.gz OILFHITUWPBVOL-SHTZXODSSA-N 2 0 281.444 1.779 10 0 CDAERP CC[N@@H+]1CC[C@@]2(NC(=O)CCC[NH+](C)C)CCC[C@H]12 ZINC001734438555 1183779056 /nfs/dbraw/zinc/77/90/56/1183779056.db2.gz HBOUVIRHBGCJAN-ZFWWWQNUSA-N 2 0 267.417 1.461 10 0 CDAERP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N(C)[C@H]3CCC[NH+](C)C3)C[N@@H+]2C1 ZINC001772421827 1187222036 /nfs/dbraw/zinc/22/20/36/1187222036.db2.gz OZWBLFSPZCGXFF-WCVJEAGWSA-N 2 0 293.455 1.659 10 0 CDAERP C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)[C@@H](n2cncn2)C1 ZINC001771768964 1164320188 /nfs/dbraw/zinc/32/01/88/1164320188.db2.gz YUXUVAAQFBPFJZ-OWYFMNJBSA-N 2 0 291.443 1.938 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCC([NH2+]CC3CC3)CC2)C1 ZINC000870937383 790264982 /nfs/dbraw/zinc/26/49/82/790264982.db2.gz HXYGZODPAMIBNR-WOSRLPQWSA-N 2 0 277.412 1.104 10 0 CDAERP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000923307610 790273659 /nfs/dbraw/zinc/27/36/59/790273659.db2.gz VWHJAIQQYTVQTK-ZNMIVQPWSA-N 2 0 296.459 1.499 10 0 CDAERP C[NH+]1CCC(N2CC[C@H](NC(=O)C(F)=C3CCC3)C2)CC1 ZINC000819275223 790365363 /nfs/dbraw/zinc/36/53/63/790365363.db2.gz NWWQOBGEBUHUNN-ZDUSSCGKSA-N 2 0 295.402 1.679 10 0 CDAERP C[C@@H]1C[N@H+](Cc2cccc3c2OCCO3)CC[C@@H]1C[NH3+] ZINC000923497897 790453709 /nfs/dbraw/zinc/45/37/09/790453709.db2.gz NEMBDJYVUDSYQX-CHWSQXEVSA-N 2 0 276.380 1.875 10 0 CDAERP C[C@H](Cc1ccccn1)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000926684243 790549440 /nfs/dbraw/zinc/54/94/40/790549440.db2.gz FCJNCCVNQCLNBA-CVEARBPZSA-N 2 0 292.471 1.874 10 0 CDAERP CCOC(=O)C1=CC[C@H]([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925718948 790587189 /nfs/dbraw/zinc/58/71/89/790587189.db2.gz KSCBUQAQFLWTLY-RWMBFGLXSA-N 2 0 264.369 1.498 10 0 CDAERP C[C@@H](NC(=[NH2+])NCCC[NH+]1CCCCC1)C1CC1 ZINC000080879117 790721557 /nfs/dbraw/zinc/72/15/57/790721557.db2.gz MSVXDKCGCBRLED-GFCCVEGCSA-N 2 0 252.406 1.565 10 0 CDAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CC1CCOCC1)CC2 ZINC000923448639 790785959 /nfs/dbraw/zinc/78/59/59/790785959.db2.gz DZMRKZZOPXOIFZ-AWEZNQCLSA-N 2 0 268.401 1.243 10 0 CDAERP C[NH+](C)CC[C@@H]([NH2+]C[C@@H](O)CC(C)(C)O)C(C)(C)C ZINC000872204298 790807404 /nfs/dbraw/zinc/80/74/04/790807404.db2.gz MQIWDGFKJOTRHB-QWHCGFSZSA-N 2 0 274.449 1.464 10 0 CDAERP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C=C1CC[NH2+]CC1 ZINC000852868502 790835419 /nfs/dbraw/zinc/83/54/19/790835419.db2.gz HNVJQQRMAGUCME-HNNXBMFYSA-N 2 0 279.428 1.677 10 0 CDAERP COCC[N@H+](C)CCC[NH2+]C1[C@H](C)COC[C@H]1C ZINC000924656471 790832428 /nfs/dbraw/zinc/83/24/28/790832428.db2.gz RAHIWDQCDKRXKN-CHWSQXEVSA-N 2 0 258.406 1.215 10 0 CDAERP CC[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)[C@H]1CCCOC1 ZINC000872033163 790835085 /nfs/dbraw/zinc/83/50/85/790835085.db2.gz GATALIXMEFYXEX-JYJNAYRXSA-N 2 0 283.460 1.417 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3[C@H](CC[NH+]3C)C2)CC[N@@H+]1C ZINC000827233787 790851239 /nfs/dbraw/zinc/85/12/39/790851239.db2.gz SCKXHCFULOWSRP-BARDWOONSA-N 2 0 279.428 1.269 10 0 CDAERP O=C1O[C@H](C[NH2+][C@H]2CC[C@@H]2C2CCC2)CC12CC[NH2+]CC2 ZINC000925849325 790881408 /nfs/dbraw/zinc/88/14/08/790881408.db2.gz HZRXDJCWPYJDJL-ZNMIVQPWSA-N 2 0 292.423 1.840 10 0 CDAERP C[C@@H]1C[N@H+](CCO[C@H]2CCOC2)CCN1c1cc[nH+]cc1 ZINC000931682933 790898876 /nfs/dbraw/zinc/89/88/76/790898876.db2.gz ARJJRMAQIHNIRL-ZBFHGGJFSA-N 2 0 291.395 1.398 10 0 CDAERP [NH3+][C@H]1CCCN(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000926044612 790926109 /nfs/dbraw/zinc/92/61/09/790926109.db2.gz SDEGBLGTYODNLK-NSHDSACASA-N 2 0 286.339 1.222 10 0 CDAERP CC[N@@H+]1CCCN(C(=O)[C@H](C)CC[NH+](C)C)[C@@H](C)C1 ZINC001629366623 1166134380 /nfs/dbraw/zinc/13/43/80/1166134380.db2.gz ACGLUKKIDTZKSF-KGLIPLIRSA-N 2 0 269.433 1.517 10 0 CDAERP C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)CC[NH2+]C(C)(C)C ZINC000720898045 791036401 /nfs/dbraw/zinc/03/64/01/791036401.db2.gz INEBFTCGEFYQOQ-OLZOCXBDSA-N 2 0 267.417 1.460 10 0 CDAERP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H]1C[C@H]3COC[C@@H]3O1)C2 ZINC000930602742 789856825 /nfs/dbraw/zinc/85/68/25/789856825.db2.gz ZEIPVTRRSCPEMZ-YHUYYLMFSA-N 2 0 280.412 1.208 10 0 CDAERP O[C@@H]1C[C@H]2CN(c3cc[nH+]cc3C(F)(F)F)CC[N@@H+]2C1 ZINC000864089600 789858889 /nfs/dbraw/zinc/85/88/89/789858889.db2.gz UVSGXSBSXAFQJM-VHSXEESVSA-N 2 0 287.285 1.356 10 0 CDAERP [NH3+]CCCCCC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000846221126 789879381 /nfs/dbraw/zinc/87/93/81/789879381.db2.gz SUOKGUFIARHTHF-GJZGRUSLSA-N 3 0 253.434 1.970 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H](C)[C@@H](O)c1ccccc1 ZINC000817931432 789892773 /nfs/dbraw/zinc/89/27/73/789892773.db2.gz JOYUAHGPQTZETP-VHDGCEQUSA-N 2 0 266.385 1.452 10 0 CDAERP C[C@@H]1[C@@H]([NH2+]CCN2CCC([NH+](C)C)CC2)CO[C@H]1C ZINC000925215306 789899651 /nfs/dbraw/zinc/89/96/51/789899651.db2.gz LPZWZPDHXMZUFR-YDHLFZDLSA-N 2 0 269.433 1.025 10 0 CDAERP [NH3+][C@@H](CC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)C1CC1 ZINC000852860141 789937510 /nfs/dbraw/zinc/93/75/10/789937510.db2.gz LCHWSGHMKCKPBT-LSDHHAIUSA-N 2 0 289.379 1.413 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1cc(F)cnc1Cl ZINC000817933831 789954423 /nfs/dbraw/zinc/95/44/23/789954423.db2.gz UJWJOJLNQABGCF-NSHDSACASA-N 2 0 275.755 1.718 10 0 CDAERP CO[C@H]1CC[C@@H]1[N@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000724126692 789957315 /nfs/dbraw/zinc/95/73/15/789957315.db2.gz JHXJWEOAKYTZEB-HOTGVXAUSA-N 2 0 260.381 1.942 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@@H]1CCC3(CCC3)O1)C2 ZINC000712524042 789973261 /nfs/dbraw/zinc/97/32/61/789973261.db2.gz QAQOCRQEQSJPQV-CRWXNKLISA-N 2 0 250.386 1.900 10 0 CDAERP CCN1CC[NH+](C[C@H](C)CNC(=[NH2+])NCCC2CC2)CC1 ZINC000864454891 789973493 /nfs/dbraw/zinc/97/34/93/789973493.db2.gz XZWGNAJZJRCXET-CQSZACIVSA-N 2 0 295.475 1.174 10 0 CDAERP C[C@H]1C[C@@H](C[NH2+]Cc2cccnc2-n2ccnc2)CC[NH2+]1 ZINC000841095432 789994629 /nfs/dbraw/zinc/99/46/29/789994629.db2.gz GCHINZWMRKFPEV-KBPBESRZSA-N 2 0 285.395 1.745 10 0 CDAERP [NH3+][C@H]1C[C@H](NC2CC[NH+](CC3CC3)CC2)C12CCC2 ZINC000925475507 790008828 /nfs/dbraw/zinc/00/88/28/790008828.db2.gz URXCSJIBSNAHKE-GJZGRUSLSA-N 3 0 263.429 1.720 10 0 CDAERP [NH3+]C[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1C(F)(F)F ZINC000709805435 790011202 /nfs/dbraw/zinc/01/12/02/790011202.db2.gz ZSXUASOBJCRODW-GHMZBOCLSA-N 2 0 266.307 1.482 10 0 CDAERP CC1(C)CO[C@H](C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000708330780 790013377 /nfs/dbraw/zinc/01/33/77/790013377.db2.gz KNCFSMRJBGCNNI-AEGPPILISA-N 2 0 252.402 1.733 10 0 CDAERP C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)O[C@H]1CCOC1 ZINC000724930070 790020236 /nfs/dbraw/zinc/02/02/36/790020236.db2.gz GGFGSXAWYDEJSF-KKUMJFAQSA-N 2 0 268.401 1.256 10 0 CDAERP C[C@@H]1CCC[N@H+](C[C@@H]2C[C@H]3COC[C@H]3O2)[C@@H]1CCC[NH3+] ZINC000724602479 790021674 /nfs/dbraw/zinc/02/16/74/790021674.db2.gz ZMKMXUDXCUKZTB-LYYZXLFJSA-N 2 0 282.428 1.630 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870855962 790039225 /nfs/dbraw/zinc/03/92/25/790039225.db2.gz QAXRFOISCKSLLW-HPUBIQBYSA-N 2 0 293.455 1.899 10 0 CDAERP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)[C@@]12CC[NH+](C1)CCC2 ZINC000895696923 790063011 /nfs/dbraw/zinc/06/30/11/790063011.db2.gz IVEBRGLYEFEZLD-CJNGLKHVSA-N 2 0 277.412 1.073 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCOC1CCOCC1 ZINC000927076958 790079229 /nfs/dbraw/zinc/07/92/29/790079229.db2.gz PMVOEDQRBUEDTP-NNQSOWQGSA-N 2 0 268.401 1.112 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC000926869175 790080801 /nfs/dbraw/zinc/08/08/01/790080801.db2.gz QDXWBKLTIYXRSN-NUCGDHGJSA-N 2 0 292.398 1.659 10 0 CDAERP Cc1ccc2c(c1)CC[C@@H]2[NH2+]CCN1CCC([NH3+])CC1 ZINC000925812643 790096874 /nfs/dbraw/zinc/09/68/74/790096874.db2.gz XRKAJWVAQNWIOL-KRWDZBQOSA-N 2 0 273.424 1.995 10 0 CDAERP CSC[C@@H]1CCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923387738 791239256 /nfs/dbraw/zinc/23/92/56/791239256.db2.gz LAYZGXQDDBDGAG-NWDGAFQWSA-N 2 0 256.415 1.192 10 0 CDAERP CC(C)c1ncc(C[NH2+]CCOCCC[NH3+])s1 ZINC000863486870 791308907 /nfs/dbraw/zinc/30/89/07/791308907.db2.gz NFGXBUXWXDLUPQ-UHFFFAOYSA-N 2 0 257.403 1.722 10 0 CDAERP [NH3+]C1(c2noc(/C=C/[C@H]3CCC[NH2+]C3)n2)CCCC1 ZINC000871787028 791303006 /nfs/dbraw/zinc/30/30/06/791303006.db2.gz PAMZZKSPUPHFFA-MVIFTORASA-N 2 0 262.357 1.810 10 0 CDAERP CN(CCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)CC(F)(F)F ZINC000925546760 791305446 /nfs/dbraw/zinc/30/54/46/791305446.db2.gz KHMXDHMYGHHORI-GHMZBOCLSA-N 2 0 279.350 1.730 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)CC(C)(C)O)C1 ZINC000872199940 791414039 /nfs/dbraw/zinc/41/40/39/791414039.db2.gz SOPTVBOGXPUHPN-ZIAGYGMSSA-N 2 0 272.433 1.218 10 0 CDAERP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925798734 791457476 /nfs/dbraw/zinc/45/74/76/791457476.db2.gz RHJSNFRILPIYKE-BHPKHCPMSA-N 2 0 251.418 1.304 10 0 CDAERP C[N@@H+]1CCN(C(=O)C2([NH3+])CCCCC2)CCC1(C)C ZINC000712684870 791484752 /nfs/dbraw/zinc/48/47/52/791484752.db2.gz NSDXCBZIJSKNSD-UHFFFAOYSA-N 2 0 267.417 1.591 10 0 CDAERP C[C@@H]1OC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)[C@@H]1C ZINC000925558515 791508886 /nfs/dbraw/zinc/50/88/86/791508886.db2.gz GCYVOKWXQNHRAY-XLTGGDBASA-N 2 0 296.455 1.767 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)CC1 ZINC000723666854 791551983 /nfs/dbraw/zinc/55/19/83/791551983.db2.gz SDEZWPSBLLDWAZ-QLFBSQMISA-N 2 0 282.428 1.238 10 0 CDAERP CC1(C)[C@H]([NH2+][C@H]2CCc3n[nH]cc3C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925585751 791629976 /nfs/dbraw/zinc/62/99/76/791629976.db2.gz WMGJYENWNIDTNR-MYZSUADSSA-N 2 0 274.412 1.633 10 0 CDAERP C([C@@H]1C[C@@]12CCOC2)[NH+]1CCC(N2CCCOCC2)CC1 ZINC000931283937 791718071 /nfs/dbraw/zinc/71/80/71/791718071.db2.gz IFUUECGHOFDTDW-DOTOQJQBSA-N 2 0 294.439 1.600 10 0 CDAERP COC(=O)[C@]12C[C@H]1CCC[N@@H+]2CCCCCC[NH3+] ZINC000923552110 791800016 /nfs/dbraw/zinc/80/00/16/791800016.db2.gz UNTVJRFJQDIILT-OCCSQVGLSA-N 2 0 254.374 1.533 10 0 CDAERP CC[NH2+]CC1CC[NH+](C[C@@H]2C[C@@H]3COC[C@H]3O2)CC1 ZINC000724576386 791807783 /nfs/dbraw/zinc/80/77/83/791807783.db2.gz DYXIERQRLSJKHI-QLFBSQMISA-N 2 0 268.401 1.112 10 0 CDAERP C(CC[NH2+][C@H]1CC[C@@H]1C1CC1)CCN1CC[NH2+]CC1 ZINC000925845250 791883812 /nfs/dbraw/zinc/88/38/12/791883812.db2.gz FTFKEZFOCKWTFZ-CVEARBPZSA-N 2 0 265.445 1.840 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)N2CCC[NH+](C(C)(C)C)CC2)CC[N@@H+]1C ZINC000925316420 791892310 /nfs/dbraw/zinc/89/23/10/791892310.db2.gz KNRHHBQZKVFISO-KGLIPLIRSA-N 2 0 296.459 1.595 10 0 CDAERP C[N@@H+]1CCN(CC[NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)CC1(C)C ZINC000926356126 791950968 /nfs/dbraw/zinc/95/09/68/791950968.db2.gz GEZJFVJVUXUFHK-XHSDSOJGSA-N 2 0 277.456 1.957 10 0 CDAERP NC(=O)C1CC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000716775258 791988899 /nfs/dbraw/zinc/98/88/99/791988899.db2.gz OMZNCTWGWVDJOO-PNKMZZHYSA-N 2 0 265.401 1.151 10 0 CDAERP COCC[C@@H](COC)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000385763701 792017947 /nfs/dbraw/zinc/01/79/47/792017947.db2.gz UTRSWHIDBDPCGR-JSGCOSHPSA-N 2 0 258.406 1.358 10 0 CDAERP Cn1cnc(CCC[NH2+][C@H](CCC[NH3+])c2ccccc2)n1 ZINC000925705644 792097881 /nfs/dbraw/zinc/09/78/81/792097881.db2.gz LRUGNQMQEOJGOJ-OAHLLOKOSA-N 2 0 287.411 1.818 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000870992098 792111718 /nfs/dbraw/zinc/11/17/18/792111718.db2.gz IDMQPQSQCPZWAL-BBRMVZONSA-N 2 0 281.444 1.742 10 0 CDAERP [NH3+]CCCCCCC(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000843499343 792298133 /nfs/dbraw/zinc/29/81/33/792298133.db2.gz ZZBJPYVCEZIKCN-HUUCEWRRSA-N 2 0 281.444 1.886 10 0 CDAERP O[C@H](C[NH2+]CCC[C@H]1C=CCC1)C[NH+]1CCCC1 ZINC000872245356 792429620 /nfs/dbraw/zinc/42/96/20/792429620.db2.gz BJPHMYYVQMVPDP-LSDHHAIUSA-N 2 0 252.402 1.779 10 0 CDAERP C[NH+](C)CCCC1CC[NH+](C[C@H](O)C2(O)CCC2)CC1 ZINC000930147244 792795823 /nfs/dbraw/zinc/79/58/23/792795823.db2.gz PQYNNPNONVUPLU-HNNXBMFYSA-N 2 0 284.444 1.316 10 0 CDAERP [NH3+][C@H]1CC=C(c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)C1 ZINC000871801788 792845151 /nfs/dbraw/zinc/84/51/51/792845151.db2.gz WNAGUUNYNASHFX-HSTDOPHLSA-N 2 0 260.341 1.572 10 0 CDAERP CO[C@@H](C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1)C1CCC1 ZINC000931441021 792846855 /nfs/dbraw/zinc/84/68/55/792846855.db2.gz AIPAMCQOUJCYOS-ZNMIVQPWSA-N 2 0 252.402 1.685 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000870936876 792998682 /nfs/dbraw/zinc/99/86/82/792998682.db2.gz DWCYWKGBTUTSMZ-KCPJHIHWSA-N 2 0 275.396 1.840 10 0 CDAERP c1[nH+]cn2ccc(-c3noc(CC[C@H]4CC[NH2+]C4)n3)cc12 ZINC000843227322 793068062 /nfs/dbraw/zinc/06/80/62/793068062.db2.gz YMXWJPKBDAKXMI-NSHDSACASA-N 2 0 283.335 1.926 10 0 CDAERP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925840579 793096663 /nfs/dbraw/zinc/09/66/63/793096663.db2.gz BOEKZOCLTMCVKH-NILFDRSVSA-N 2 0 262.401 1.911 10 0 CDAERP CN1Cc2ccccc2[C@H]1CNC(=O)C[NH2+]CC1CC1 ZINC000870980163 793124352 /nfs/dbraw/zinc/12/43/52/793124352.db2.gz YCRVJMVJZVXTJV-OAHLLOKOSA-N 2 0 273.380 1.289 10 0 CDAERP COC(C)(C)CC[NH+]1CCC(N2CCCOCC2)CC1 ZINC000931287575 793149204 /nfs/dbraw/zinc/14/92/04/793149204.db2.gz RORJXBOZXSFVFZ-UHFFFAOYSA-N 2 0 284.444 1.988 10 0 CDAERP CC[NH+]1CCC(C[NH2+]Cc2nnc(C)s2)CC1 ZINC000704772532 793169939 /nfs/dbraw/zinc/16/99/39/793169939.db2.gz USAOVMFIERSKRI-UHFFFAOYSA-N 2 0 254.403 1.668 10 0 CDAERP CSC1(C[NH2+][C@@H]2CO[C@H](C)[C@H]2C)CC[NH+](C)CC1 ZINC000926449921 793176237 /nfs/dbraw/zinc/17/62/37/793176237.db2.gz YAVLPYVIFJNZBG-JHJVBQTASA-N 2 0 272.458 1.827 10 0 CDAERP CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)C1 ZINC000721941004 793303369 /nfs/dbraw/zinc/30/33/69/793303369.db2.gz DJTNNWDKKRSSFS-KBXIAJHMSA-N 2 0 252.402 1.875 10 0 CDAERP Cc1cc(N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)nc(C)n1 ZINC000720883475 793332353 /nfs/dbraw/zinc/33/23/53/793332353.db2.gz KIOQDCXIVORTNV-ZJUUUORDSA-N 2 0 274.290 1.667 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCCn2cccn2)C1 ZINC000925533325 793371451 /nfs/dbraw/zinc/37/14/51/793371451.db2.gz LNMQQFVEHNHFDH-CHWSQXEVSA-N 2 0 250.390 1.769 10 0 CDAERP CCCCOC[C@H](O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000311588276 793374033 /nfs/dbraw/zinc/37/40/33/793374033.db2.gz ZINMLEZJAVVSMP-RRFJBIMHSA-N 2 0 270.417 1.048 10 0 CDAERP CCc1ccc(CCN2CC[NH2+]CC[NH2+]CC2)cc1 ZINC000923461819 793396786 /nfs/dbraw/zinc/39/67/86/793396786.db2.gz XEQGZCPPTZOGIL-UHFFFAOYSA-N 2 0 261.413 1.286 10 0 CDAERP CC1(C)CO[C@H](C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)C1 ZINC000872143401 793424943 /nfs/dbraw/zinc/42/49/43/793424943.db2.gz RFYULBTYDGSREO-ZNMIVQPWSA-N 2 0 282.428 1.630 10 0 CDAERP CCn1cc(C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C(C)C)cn1 ZINC000923387496 793444048 /nfs/dbraw/zinc/44/40/48/793444048.db2.gz OTYZSVRIJALNTN-HNNXBMFYSA-N 2 0 292.427 1.492 10 0 CDAERP Cc1cccc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC000866012116 793457333 /nfs/dbraw/zinc/45/73/33/793457333.db2.gz QQVXHXRVBQIMRJ-HUUCEWRRSA-N 2 0 276.428 1.566 10 0 CDAERP Cc1cc([C@@H]([NH3+])CC(=O)N2CC[NH2+][C@@H](C)C2)cc(Cl)n1 ZINC000841848351 793562157 /nfs/dbraw/zinc/56/21/57/793562157.db2.gz GBWBXVFPHNMUSZ-JQWIXIFHSA-N 2 0 296.802 1.254 10 0 CDAERP CC1(C)[C@H](N[C@H]2C[NH2+]CCC2(F)F)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925705933 793777242 /nfs/dbraw/zinc/77/72/42/793777242.db2.gz JBYHYFASRBXEQD-NOOOWODRSA-N 2 0 273.371 1.350 10 0 CDAERP CC[NH+](CC)CCNC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868186252 793810187 /nfs/dbraw/zinc/81/01/87/793810187.db2.gz JZDAPUAMDDKDEJ-LSDHHAIUSA-N 2 0 290.411 1.965 10 0 CDAERP CC(C)(C[NH3+])C1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000714411316 793820896 /nfs/dbraw/zinc/82/08/96/793820896.db2.gz MSBRDKPNBMKKLS-SNVBAGLBSA-N 2 0 268.323 1.607 10 0 CDAERP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1NC1CC[NH+](C3CC3)CC1)[NH2+]2 ZINC000709473931 793821087 /nfs/dbraw/zinc/82/10/87/793821087.db2.gz HDPUSPJAUGAJFN-WXYCVUISSA-N 2 0 263.429 1.732 10 0 CDAERP C[C@@H]1C[C@H]1NC(=[NH2+])NCc1ccc(OCC[NH+](C)C)cc1 ZINC000864451121 793839083 /nfs/dbraw/zinc/83/90/83/793839083.db2.gz ADNOCNQEKCATIY-IUODEOHRSA-N 2 0 290.411 1.649 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCC3(COC3)O2)C1 ZINC000929778968 793841571 /nfs/dbraw/zinc/84/15/71/793841571.db2.gz LMLLWTMNLBNEFJ-LSDHHAIUSA-N 2 0 282.428 1.598 10 0 CDAERP Cc1nccn1CCC[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720807877 793852231 /nfs/dbraw/zinc/85/22/31/793852231.db2.gz AQXBZSYEXWMMPW-NWDGAFQWSA-N 2 0 290.333 1.651 10 0 CDAERP CO[C@H](C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)[C@H]1CCOC1 ZINC000925714739 793891675 /nfs/dbraw/zinc/89/16/75/793891675.db2.gz VXRQXSCHWOTCHH-QRTUWBSPSA-N 2 0 282.428 1.404 10 0 CDAERP [NH3+]C[C@@H]1CCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)c2ccccc21 ZINC000872311785 793969395 /nfs/dbraw/zinc/96/93/95/793969395.db2.gz AODNFAJSLJCCCM-LKQDWFRTSA-N 2 0 285.391 1.593 10 0 CDAERP OC[C@@H]([NH2+]Cc1cc(-n2ccnc2)cs1)C1CC1 ZINC000784544425 794046264 /nfs/dbraw/zinc/04/62/64/794046264.db2.gz IUJNMWYHFRQFMG-CYBMUJFWSA-N 2 0 263.366 1.794 10 0 CDAERP C[C@@H](C1CC1)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000782186479 794204599 /nfs/dbraw/zinc/20/45/99/794204599.db2.gz KGFMHQRGCXDJEW-IJEWVQPXSA-N 2 0 265.445 1.743 10 0 CDAERP C[NH+](C)C1(CNC2[C@@H]3CC[C@H]2C[N@@H+](C)C3)CCCC1 ZINC000924578745 794330958 /nfs/dbraw/zinc/33/09/58/794330958.db2.gz RONIEMZTPRZYIR-YIONKMFJSA-N 2 0 265.445 1.791 10 0 CDAERP C[N@@H+]1CCN(CC[NH2+][C@H]2CCCc3cn[nH]c32)CC1(C)C ZINC000857866883 794577000 /nfs/dbraw/zinc/57/70/00/794577000.db2.gz VBXBWGWKYGMFAB-AWEZNQCLSA-N 2 0 291.443 1.403 10 0 CDAERP Cn1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c(Cl)n1 ZINC000856792731 794584437 /nfs/dbraw/zinc/58/44/37/794584437.db2.gz BAEMWAYGKOVRAF-JGZJWPJOSA-N 2 0 256.781 1.503 10 0 CDAERP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCCNC2=O)C[C@@H]([NH3+])C1 ZINC000925686398 794614279 /nfs/dbraw/zinc/61/42/79/794614279.db2.gz SUOPLHPOEYSYKE-TUAOUCFPSA-N 2 0 253.390 1.008 10 0 CDAERP CCCCNC(=O)[C@@H](C)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923453530 794644782 /nfs/dbraw/zinc/64/47/82/794644782.db2.gz NIGWPALZYMQJSU-ZIAGYGMSSA-N 2 0 297.443 1.121 10 0 CDAERP NC(=O)c1ccc(CC[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000866664877 794651848 /nfs/dbraw/zinc/65/18/48/794651848.db2.gz PCBSYMXHQGTVPG-QGZVFWFLSA-N 2 0 287.407 1.404 10 0 CDAERP CN(C(=O)NCCCCCC[NH3+])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000831263508 794687074 /nfs/dbraw/zinc/68/70/74/794687074.db2.gz KNAOLBCLADBJQJ-AWEZNQCLSA-N 2 0 282.432 1.384 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC1CC[NH+](C)CC1 ZINC000251734448 794739160 /nfs/dbraw/zinc/73/91/60/794739160.db2.gz KMINQGDVYLLSKQ-HIFRSBDPSA-N 2 0 251.418 1.497 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712602995 794750619 /nfs/dbraw/zinc/75/06/19/794750619.db2.gz ICJDGONZVVEEJE-AWEZNQCLSA-N 2 0 283.460 1.940 10 0 CDAERP C[N@@H+]1CC[C@@H]2C[NH+](CC3(O)CCSCC3)CC[C@@H]21 ZINC000879578584 794785190 /nfs/dbraw/zinc/78/51/90/794785190.db2.gz FNANBQKWQLZLSI-OLZOCXBDSA-N 2 0 270.442 1.271 10 0 CDAERP [NH3+]C[C@H]1CC[C@H](CNC(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852881227 794822477 /nfs/dbraw/zinc/82/24/77/794822477.db2.gz SZTXLHBIHSTVGI-HDJSIYSDSA-N 2 0 265.401 1.178 10 0 CDAERP CCC1([NH+](C)C)CCN(CC[NH+]2CCCC2)CC1 ZINC000931470325 794895844 /nfs/dbraw/zinc/89/58/44/794895844.db2.gz DAGKQTORXJZVQD-UHFFFAOYSA-N 2 0 253.434 1.888 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000866703958 794931218 /nfs/dbraw/zinc/93/12/18/794931218.db2.gz QOOUWAIMWAXXRB-HIFRSBDPSA-N 2 0 253.434 1.683 10 0 CDAERP CN(C(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1)C1CC1 ZINC000923505636 794934656 /nfs/dbraw/zinc/93/46/56/794934656.db2.gz OWTRDVZSZHVXGJ-CQSZACIVSA-N 2 0 293.455 1.709 10 0 CDAERP C[C@@H]1COC[C@H]1[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000926634173 794957022 /nfs/dbraw/zinc/95/70/22/794957022.db2.gz FEPVUBTUJIQKAR-MXASKKJJSA-N 2 0 274.408 1.956 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1ccc(C)c(C(=O)OC)c1 ZINC000872144620 794961244 /nfs/dbraw/zinc/96/12/44/794961244.db2.gz BWKMWFVOXZKDPQ-UHFFFAOYSA-N 2 0 294.395 1.449 10 0 CDAERP [NH3+]CCCCCC(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000846700529 794976427 /nfs/dbraw/zinc/97/64/27/794976427.db2.gz XMBPOZXMWHZYOS-KFWWJZLASA-N 2 0 297.443 1.393 10 0 CDAERP C[NH+](C)CCOc1ccccc1CNC1=[NH+]CCCCN1 ZINC000849216080 795027569 /nfs/dbraw/zinc/02/75/69/795027569.db2.gz SZJMNXUZWOBYMR-UHFFFAOYSA-N 2 0 290.411 1.456 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](C)[C@H]1C ZINC000928446053 795048321 /nfs/dbraw/zinc/04/83/21/795048321.db2.gz UGLKLRLTZFVVHB-RWMBFGLXSA-N 2 0 253.390 1.070 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000868622149 795075613 /nfs/dbraw/zinc/07/56/13/795075613.db2.gz AZTXTMIEKVMOBF-KKUMJFAQSA-N 2 0 296.459 1.451 10 0 CDAERP C(C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1)O[C@@H]1CCOC1 ZINC000724949485 795081534 /nfs/dbraw/zinc/08/15/34/795081534.db2.gz SEWZJTFLSVRHAN-JKSUJKDBSA-N 2 0 282.428 1.504 10 0 CDAERP [NH3+][C@H]1CC[C@H](C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)CC1 ZINC000870852717 795087648 /nfs/dbraw/zinc/08/76/48/795087648.db2.gz LOELVWRGTXROKT-TUVASFSCSA-N 2 0 279.428 1.495 10 0 CDAERP [NH3+][C@@H]1C[C@@H](NCC2([NH+]3CCCC3)CCOCC2)C12CCC2 ZINC000925499955 795113768 /nfs/dbraw/zinc/11/37/68/795113768.db2.gz VGXQVIPLQORDHL-HUUCEWRRSA-N 2 0 293.455 1.491 10 0 CDAERP CN(C[C@@H]1CCC[N@@H+]1C)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000926382520 795276791 /nfs/dbraw/zinc/27/67/91/795276791.db2.gz LMYISYHGECMVBT-LSDHHAIUSA-N 2 0 266.433 1.145 10 0 CDAERP CO[C@H]1COCC[C@H]1[N@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923428392 795300813 /nfs/dbraw/zinc/30/08/13/795300813.db2.gz YBZGBFXFHARWBE-BMRXWSCTSA-N 2 0 282.428 1.643 10 0 CDAERP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@@H](C)O)C2)ccn1 ZINC000856584420 795349675 /nfs/dbraw/zinc/34/96/75/795349675.db2.gz JTTXGJRNIVBPBV-CZUORRHYSA-N 2 0 293.411 1.367 10 0 CDAERP [NH3+]Cc1ccc(-c2noc(C[C@@H]([NH3+])C3CC3)n2)cc1 ZINC000842650636 795382673 /nfs/dbraw/zinc/38/26/73/795382673.db2.gz ZEMDXESZUNOPJV-GFCCVEGCSA-N 2 0 258.325 1.475 10 0 CDAERP C[C@@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723893757 795398335 /nfs/dbraw/zinc/39/83/35/795398335.db2.gz CXQNGGZDZSUMCY-HZSPNIEDSA-N 2 0 267.417 1.304 10 0 CDAERP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)CC1 ZINC000924668599 795534249 /nfs/dbraw/zinc/53/42/49/795534249.db2.gz DVALQAKETSVQCJ-NXOAAHMSSA-N 2 0 277.456 1.957 10 0 CDAERP O=C([C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1)N1CCC[NH2+]CC1 ZINC000227233184 795607380 /nfs/dbraw/zinc/60/73/80/795607380.db2.gz STMYWXXZLWWAGQ-RDBSUJKOSA-N 2 0 265.401 1.119 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)NCC[C@H]2CCC[NH+](C)C2)CC[N@@H+]1C ZINC000922852309 795631363 /nfs/dbraw/zinc/63/13/63/795631363.db2.gz JUWFDHMDJGDHGI-MCIONIFRSA-N 2 0 282.432 1.110 10 0 CDAERP Cc1cc([C@@H]([NH3+])CC(=O)N2CCC[NH2+]CC2)cc(Cl)n1 ZINC000832255816 795778105 /nfs/dbraw/zinc/77/81/05/795778105.db2.gz OOWCCSPQHKOKCK-LBPRGKRZSA-N 2 0 296.802 1.255 10 0 CDAERP CCO[C@H](C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)C1CC1 ZINC000863544323 795786078 /nfs/dbraw/zinc/78/60/78/795786078.db2.gz QQBUIZNEUYFHHU-HUUCEWRRSA-N 2 0 252.402 1.877 10 0 CDAERP Cn1cncc1CCC[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720859457 795816380 /nfs/dbraw/zinc/81/63/80/795816380.db2.gz NVOOEZNXDAVRDA-CMPLNLGQSA-N 2 0 290.333 1.422 10 0 CDAERP CC(C)OCC[C@H](O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000923329746 795831700 /nfs/dbraw/zinc/83/17/00/795831700.db2.gz YEGDSOIAWPUNAL-PMPSAXMXSA-N 2 0 284.444 1.626 10 0 CDAERP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)C1CC[NH2+]CC1 ZINC000925728587 795861237 /nfs/dbraw/zinc/86/12/37/795861237.db2.gz LEDLCUKQMUSOEE-UBHSHLNASA-N 3 0 253.434 1.870 10 0 CDAERP C(C[NH2+]C1CC1)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000923432219 795882781 /nfs/dbraw/zinc/88/27/81/795882781.db2.gz YIDMUDNARPBUIV-CALCHBBNSA-N 2 0 292.471 1.029 10 0 CDAERP CC[N@H+](CCc1ccccn1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000852746037 795897884 /nfs/dbraw/zinc/89/78/84/795897884.db2.gz HFXDGQGKDPEAMJ-HNNXBMFYSA-N 2 0 275.396 1.467 10 0 CDAERP C[N@H+](C[C@H](O)COc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923328980 795937056 /nfs/dbraw/zinc/93/70/56/795937056.db2.gz NTJNNVYXYMOQIQ-QXULXFAOSA-N 2 0 290.407 1.641 10 0 CDAERP [NH3+]CCCCCCNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000831154832 796057478 /nfs/dbraw/zinc/05/74/78/796057478.db2.gz AOLKHEJQQUSEBY-UHFFFAOYSA-N 2 0 296.459 1.822 10 0 CDAERP C[NH2+]CCC1CC[NH+](CCO[C@H]2CCOC2)CC1 ZINC000724926204 796100594 /nfs/dbraw/zinc/10/05/94/796100594.db2.gz OYRJGYMBZDSQJN-AWEZNQCLSA-N 2 0 256.390 1.113 10 0 CDAERP C[NH+]1CCN(CCC[NH2+][C@@H](C2CCC2)[C@H]2CCCO2)CC1 ZINC000866219559 796345681 /nfs/dbraw/zinc/34/56/81/796345681.db2.gz RYZNPLFGXFTXKZ-SJORKVTESA-N 2 0 295.471 1.561 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]CCc1cccs1 ZINC001275039045 1166655609 /nfs/dbraw/zinc/65/56/09/1166655609.db2.gz OYUNTXWXBBUJMP-CYBMUJFWSA-N 2 0 297.468 1.725 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001567148165 1168046229 /nfs/dbraw/zinc/04/62/29/1168046229.db2.gz OOXOLRNIOAOEEF-HZPDHXFCSA-N 2 0 295.471 1.812 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]CC1CC1 ZINC001567524480 1168062443 /nfs/dbraw/zinc/06/24/43/1168062443.db2.gz SQNBRXCAJPOMGO-OAHLLOKOSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@H](F)C[N@H+](C)CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001566460979 1168285911 /nfs/dbraw/zinc/28/59/11/1168285911.db2.gz JFYJTLINAYQQAT-ZDUSSCGKSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC1CCCC1 ZINC001567004228 1168500313 /nfs/dbraw/zinc/50/03/13/1168500313.db2.gz HUBZOIODCBKDLV-JSGCOSHPSA-N 2 0 267.417 1.365 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001266323122 894386687 /nfs/dbraw/zinc/38/66/87/894386687.db2.gz VHUXCCPRFNMYKE-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP CCC[NH2+][C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001266439930 894906660 /nfs/dbraw/zinc/90/66/60/894906660.db2.gz ZRKFOEXNGIQFAC-OCCSQVGLSA-N 2 0 267.417 1.223 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]([NH2+]CC=C(C)C)C1 ZINC001266529961 895241263 /nfs/dbraw/zinc/24/12/63/895241263.db2.gz RXGVHUIGZJYMPC-GJZGRUSLSA-N 2 0 299.434 1.823 10 0 CDAERP CC/C=C\CC[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001266659513 895710412 /nfs/dbraw/zinc/71/04/12/895710412.db2.gz DRELZKUNCVTSRM-GXMNPTEKSA-N 2 0 267.417 1.485 10 0 CDAERP CC[C@H](C(=O)N1CC[C@H](C[NH2+]C/C=C\Cl)C1)[NH+](C)C ZINC001267068132 896678977 /nfs/dbraw/zinc/67/89/77/896678977.db2.gz VYMMCCFDPBTPHM-WFMXKNRHSA-N 2 0 287.835 1.517 10 0 CDAERP CN(CC[NH2+]CCCF)C(=O)CC[NH+]1CCCCC1 ZINC001267116908 896837009 /nfs/dbraw/zinc/83/70/09/896837009.db2.gz JNXMLPGBZQUHGI-UHFFFAOYSA-N 2 0 273.396 1.270 10 0 CDAERP CC(C)=CC[N@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001267226694 897227346 /nfs/dbraw/zinc/22/73/46/897227346.db2.gz YLAKPBHZTKZERJ-CQSZACIVSA-N 2 0 267.417 1.342 10 0 CDAERP CC(C)[C@H](C(=O)N(C)CC[NH2+]Cc1cncs1)[NH+](C)C ZINC001267424960 897890679 /nfs/dbraw/zinc/89/06/79/897890679.db2.gz JAABOLYEMPJZKI-CYBMUJFWSA-N 2 0 298.456 1.277 10 0 CDAERP CCCCC[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001480947149 898068928 /nfs/dbraw/zinc/06/89/28/898068928.db2.gz KHTGFCTWBLIOIK-CYBMUJFWSA-N 2 0 255.406 1.176 10 0 CDAERP CC(C)[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001481194316 899104722 /nfs/dbraw/zinc/10/47/22/899104722.db2.gz FTCJNOQWKFRDDN-UHFFFAOYSA-N 2 0 265.401 1.071 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC1(C[NH2+]CCF)CCCC1 ZINC001267838333 899846536 /nfs/dbraw/zinc/84/65/36/899846536.db2.gz DHRYXNNJTVXTBY-AWEZNQCLSA-N 2 0 299.434 1.849 10 0 CDAERP O=C(C[NH+]1CCCC1)NC1(C[NH2+]CCC2CC2)CCCC1 ZINC001267847076 899862432 /nfs/dbraw/zinc/86/24/32/899862432.db2.gz RNYZFSRHHLDYDM-UHFFFAOYSA-N 2 0 293.455 1.901 10 0 CDAERP CC(C)[C@H](C(=O)N(C)CC[NH2+]Cc1ccsc1)[NH+](C)C ZINC001481306591 900312834 /nfs/dbraw/zinc/31/28/34/900312834.db2.gz XRPJWUOSHKXSRI-CQSZACIVSA-N 2 0 297.468 1.882 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+]CCC1CCCC1 ZINC001481319809 900380340 /nfs/dbraw/zinc/38/03/40/900380340.db2.gz ORKCBZGBUYTUOF-UHFFFAOYSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H](C[NH2+]C/C=C\Cl)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268056629 901025936 /nfs/dbraw/zinc/02/59/36/901025936.db2.gz TYNKIBAXLMKLBV-LWSHCTJVSA-N 2 0 273.808 1.270 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001268069373 901097995 /nfs/dbraw/zinc/09/79/95/901097995.db2.gz WHSKNQLEKWYHAG-CQSZACIVSA-N 2 0 281.444 1.873 10 0 CDAERP CC1(C)CC(NC(=O)CC[N@@H+]2CC[C@@H](F)C2)CC(C)(C)[NH2+]1 ZINC001417602455 901625133 /nfs/dbraw/zinc/62/51/33/901625133.db2.gz CHQAEMWAZZSXQK-GFCCVEGCSA-N 2 0 299.434 1.846 10 0 CDAERP CC(C)C[N@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001268256724 901683205 /nfs/dbraw/zinc/68/32/05/901683205.db2.gz JYXOUCCJKHYYKV-UHFFFAOYSA-N 2 0 255.406 1.128 10 0 CDAERP CC(C)CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268348336 901913318 /nfs/dbraw/zinc/91/33/18/901913318.db2.gz GMWGLYLSUMAXHR-ZIAGYGMSSA-N 2 0 269.433 1.611 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NC/C=C\C[NH2+]CCC(F)(F)F)C1 ZINC001268625415 902837363 /nfs/dbraw/zinc/83/73/63/902837363.db2.gz HUKVLJSRMODLMX-OTDNITJGSA-N 2 0 293.333 1.153 10 0 CDAERP C[C@H](C[NH2+]CCC[C@H](C)O)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001268657424 902910004 /nfs/dbraw/zinc/91/00/04/902910004.db2.gz VFUXFMIKCFUJJW-KGLIPLIRSA-N 2 0 299.459 1.116 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCCF)C1CC1 ZINC001269148922 903482163 /nfs/dbraw/zinc/48/21/63/903482163.db2.gz LYRPMPOMIQTEAJ-LSDHHAIUSA-N 2 0 299.434 1.705 10 0 CDAERP O=C(NCC1([NH2+]CCCF)CC1)C12CCC[NH+]1CCC2 ZINC001269442223 903808800 /nfs/dbraw/zinc/80/88/00/903808800.db2.gz BTIJBYOYQAENAA-UHFFFAOYSA-N 2 0 283.391 1.213 10 0 CDAERP CC[C@@H](C)C[NH+]1CC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001482244971 904136845 /nfs/dbraw/zinc/13/68/45/904136845.db2.gz NAVIPGQHZLFQQQ-OAHLLOKOSA-N 2 0 295.471 1.909 10 0 CDAERP C[C@@H](C[NH2+]CC1CC(C)(C)C1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001482266093 904369481 /nfs/dbraw/zinc/36/94/81/904369481.db2.gz KRIKJZKHUDXBSB-ZFWWWQNUSA-N 2 0 295.471 1.953 10 0 CDAERP CCCC[NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001279112345 904561948 /nfs/dbraw/zinc/56/19/48/904561948.db2.gz IBSBMGMJRZIXOR-CABCVRRESA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001270569024 904744076 /nfs/dbraw/zinc/74/40/76/904744076.db2.gz RHGSFXISNLGNCL-HUUCEWRRSA-N 2 0 283.460 1.716 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC(C)C ZINC001482370378 905220968 /nfs/dbraw/zinc/22/09/68/905220968.db2.gz VURPWUXOKKITNN-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CCOCCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001482435428 905403731 /nfs/dbraw/zinc/40/37/31/905403731.db2.gz QFQWDIOSXAXTOR-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP COCC[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001271450274 906434633 /nfs/dbraw/zinc/43/46/33/906434633.db2.gz UZXGQQLAFNKCSL-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CCC1CC1 ZINC001482565101 907146974 /nfs/dbraw/zinc/14/69/74/907146974.db2.gz IUFMLGTUVGVZEZ-JKSUJKDBSA-N 2 0 295.471 1.859 10 0 CDAERP CC/C=C/CC[N@H+](C)CCN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001482588227 907485356 /nfs/dbraw/zinc/48/53/56/907485356.db2.gz OYRZVFQUAQLDGZ-LQYUOIDQSA-N 2 0 297.443 1.064 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ncc(C)o1)[NH+](C)C ZINC001482892362 908470744 /nfs/dbraw/zinc/47/07/44/908470744.db2.gz SMZKNSRWLRNNBE-AAEUAGOBSA-N 2 0 296.415 1.308 10 0 CDAERP CCN(CC[NH2+]CCC1CC1)C(=O)C1([NH+](C)C)CCC1 ZINC001482931351 908499817 /nfs/dbraw/zinc/49/98/17/908499817.db2.gz NDDQHZPETGYINO-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CCN(CC[NH2+]CC1=CCCCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482967249 908551074 /nfs/dbraw/zinc/55/10/74/908551074.db2.gz OVVIRXXWPSTUJV-MRXNPFEDSA-N 2 0 293.455 1.877 10 0 CDAERP CC1CC(C[NH2+]C/C=C/CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001483007934 908683747 /nfs/dbraw/zinc/68/37/47/908683747.db2.gz GRNVOECEBGHKJG-RSJNDXENSA-N 2 0 293.455 1.635 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)NC/C=C/C[NH2+]CCF)C1 ZINC001483049324 908967849 /nfs/dbraw/zinc/96/78/49/908967849.db2.gz IWSPLUGZMLZNQN-XGACYXMMSA-N 2 0 285.407 1.340 10 0 CDAERP O[C@H](C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)c1ccccc1 ZINC000714994167 909774044 /nfs/dbraw/zinc/77/40/44/909774044.db2.gz GQVMZSLEZXFSAV-HRCADAONSA-N 2 0 260.381 1.794 10 0 CDAERP CCCCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001483192928 909948348 /nfs/dbraw/zinc/94/83/48/909948348.db2.gz KVASJBDHJREHNN-OLZOCXBDSA-N 2 0 255.406 1.223 10 0 CDAERP CC(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001507325439 911075337 /nfs/dbraw/zinc/07/53/37/911075337.db2.gz AEQXEZOUZCRXSV-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC2CC2)C1 ZINC001484084492 915416607 /nfs/dbraw/zinc/41/66/07/915416607.db2.gz XAGMAYJBQCBRSL-HOCLYGCPSA-N 2 0 279.428 1.319 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N1CCC[C@H]2C[N@H+](CC)C[C@H]21 ZINC001484470506 915798984 /nfs/dbraw/zinc/79/89/84/915798984.db2.gz HBONCCSOAOOKDU-SOUVJXGZSA-N 2 0 299.434 1.609 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]C/C=C\Cl)C1 ZINC001484512890 915839023 /nfs/dbraw/zinc/83/90/23/915839023.db2.gz YSXPAUBFAOITTB-TVERBUBISA-N 2 0 299.846 1.661 10 0 CDAERP CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001484523916 915854111 /nfs/dbraw/zinc/85/41/11/915854111.db2.gz XBUGEVBVZCCTQU-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP C[NH+](C)CC1(C(=O)NCC2([NH2+]CCCF)CCC2)CC1 ZINC001484648796 915992903 /nfs/dbraw/zinc/99/29/03/915992903.db2.gz LFZJXFUAKBBGDM-UHFFFAOYSA-N 2 0 285.407 1.316 10 0 CDAERP COCC[NH2+]C1(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CCC1 ZINC001484663036 916011816 /nfs/dbraw/zinc/01/18/16/916011816.db2.gz FGCYDDMUHRBCTJ-KBPBESRZSA-N 2 0 297.443 1.134 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001485225026 916680757 /nfs/dbraw/zinc/68/07/57/916680757.db2.gz HCDAZAVYXCQJQU-ZIAGYGMSSA-N 2 0 267.417 1.531 10 0 CDAERP CCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001495814144 936388680 /nfs/dbraw/zinc/38/86/80/936388680.db2.gz OIAHLORUUJVZSE-KGLIPLIRSA-N 2 0 269.433 1.613 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001485643764 917158377 /nfs/dbraw/zinc/15/83/77/917158377.db2.gz MAFJGAOHDHQJIH-CABCVRRESA-N 2 0 297.443 1.110 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCCOCC[NH+](C)C(C)C)CC[N@@H+]1C ZINC001485771793 917271104 /nfs/dbraw/zinc/27/11/04/917271104.db2.gz BNGPYXWDUQLEMT-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@H]1CCC[N@@H+]1CCNC(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000831970541 936550090 /nfs/dbraw/zinc/55/00/90/936550090.db2.gz IHZARQOZGSKWHI-SWLSCSKDSA-N 2 0 293.386 1.469 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001367373417 919118935 /nfs/dbraw/zinc/11/89/35/919118935.db2.gz CPDVIICROULIIG-ZIAGYGMSSA-N 2 0 283.460 1.811 10 0 CDAERP CCC[NH2+]CC[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001272781561 919269592 /nfs/dbraw/zinc/26/95/92/919269592.db2.gz HVNHMLMQZKRXIO-JSGCOSHPSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)=CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001272784434 919274577 /nfs/dbraw/zinc/27/45/77/919274577.db2.gz UMMGIFLYEZDHLK-RRFJBIMHSA-N 2 0 281.444 1.777 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001485873266 920534872 /nfs/dbraw/zinc/53/48/72/920534872.db2.gz MMWKFJDZPWTHNB-GJZGRUSLSA-N 2 0 283.460 1.952 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001486219063 920829358 /nfs/dbraw/zinc/82/93/58/920829358.db2.gz QMQYEMUKMMATEG-UONOGXRCSA-N 2 0 269.433 1.613 10 0 CDAERP CCC[N@H+]1CC=C(CNC(=O)CCC[NH+](C)C)CC1 ZINC001486514218 921090110 /nfs/dbraw/zinc/09/01/10/921090110.db2.gz SMDHBSHIVYOFED-UHFFFAOYSA-N 2 0 267.417 1.487 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccnc2)C1 ZINC001490958111 936835427 /nfs/dbraw/zinc/83/54/27/936835427.db2.gz OKMLCDNQUHRBLJ-SHTZXODSSA-N 2 0 290.411 1.159 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NCCCCC[NH+]1CCCC1 ZINC001141375541 936859332 /nfs/dbraw/zinc/85/93/32/936859332.db2.gz FQIAWYIIPIMPKP-HNNXBMFYSA-N 2 0 283.460 1.957 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@H]1CCC[N@@H+](C/C=C/Cl)C1 ZINC001491130798 936861169 /nfs/dbraw/zinc/86/11/69/936861169.db2.gz QMZVNRAGDIHTCZ-YVARQFDVSA-N 2 0 299.846 1.663 10 0 CDAERP C(C[NH2+]C1CC1)CN1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000923429336 923823248 /nfs/dbraw/zinc/82/32/48/923823248.db2.gz ZQEMSGJWXKAXPH-HNNXBMFYSA-N 2 0 251.418 1.594 10 0 CDAERP Cc1cccc(OC[C@H](O)C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000923432249 923830013 /nfs/dbraw/zinc/83/00/13/923830013.db2.gz ZEBWTLVGAAXVRS-BZUAXINKSA-N 2 0 292.423 1.651 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CCCC[N@@H+]1CC1CCC1 ZINC001491225525 936879501 /nfs/dbraw/zinc/87/95/01/936879501.db2.gz PPGVSNBISCGMTI-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@@H](C[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1)OC ZINC001410026145 924028493 /nfs/dbraw/zinc/02/84/93/924028493.db2.gz LXQTXRMDRYFWEV-KBPBESRZSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@@H](CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC1CCC1 ZINC001410427688 925649299 /nfs/dbraw/zinc/64/92/99/925649299.db2.gz AVPCVRSFDOXKQR-KBPBESRZSA-N 2 0 281.444 1.565 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001488898314 926736506 /nfs/dbraw/zinc/73/65/06/926736506.db2.gz PJVRYJMMEVYZGK-SJMDPPEKSA-N 2 0 299.846 1.708 10 0 CDAERP CC[N@H+](CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)CC(C)C ZINC001437648517 926844588 /nfs/dbraw/zinc/84/45/88/926844588.db2.gz GNXWLNCNPQVEAH-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001437979430 926918543 /nfs/dbraw/zinc/91/85/43/926918543.db2.gz SKBWVRAONBCWRX-JKSUJKDBSA-N 2 0 295.471 1.907 10 0 CDAERP CC[NH2+]C1(C)CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001274398447 931497187 /nfs/dbraw/zinc/49/71/87/931497187.db2.gz OQCYOGNURBPSAR-UHFFFAOYSA-N 2 0 255.406 1.317 10 0 CDAERP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](CCC(F)(F)F)C1 ZINC001494847641 931741244 /nfs/dbraw/zinc/74/12/44/931741244.db2.gz NRVRURMAQHCBKB-NSHDSACASA-N 2 0 295.349 1.423 10 0 CDAERP CCCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001275864882 932101202 /nfs/dbraw/zinc/10/12/02/932101202.db2.gz CJTDEEFDTTWRLU-KBPBESRZSA-N 2 0 269.433 1.707 10 0 CDAERP CN(CCC[NH2+]C/C=C\Cl)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001276076050 932494143 /nfs/dbraw/zinc/49/41/43/932494143.db2.gz JBABATYUIOXEGN-DMTLFAOVSA-N 2 0 287.835 1.661 10 0 CDAERP CC(C)CC[NH+]1CCC([NH2+][C@H]2CCC(=O)N(C)C2)CC1 ZINC000925104906 932851851 /nfs/dbraw/zinc/85/18/51/932851851.db2.gz SLNYSCMYAKBVHK-HNNXBMFYSA-N 2 0 281.444 1.707 10 0 CDAERP CC1(C)C[C@@H]([NH2+]CCc2cccc(C(N)=O)c2)C[C@@H]([NH3+])C1 ZINC000925592833 932911882 /nfs/dbraw/zinc/91/18/82/932911882.db2.gz JGKWNNCTLUMNHT-CABCVRRESA-N 2 0 289.423 1.824 10 0 CDAERP [NH3+][C@@H]1C[C@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)C12CCC2 ZINC000925702973 932929497 /nfs/dbraw/zinc/92/94/97/932929497.db2.gz BWMKGGMWGJKVSK-AITKEGMMSA-N 2 0 289.467 2.000 10 0 CDAERP CN1C[C@H](CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1=O ZINC000925813537 932942093 /nfs/dbraw/zinc/94/20/93/932942093.db2.gz UXYIZFBGKJQDTH-FXUDXRNXSA-N 2 0 293.455 1.755 10 0 CDAERP C[C@@H](N[C@@H](CC[NH+](C)C)c1cccnc1)[C@H]1CCC[NH2+]1 ZINC000925825574 932943583 /nfs/dbraw/zinc/94/35/83/932943583.db2.gz AQYBAKVMSFPEPD-BMFZPTHFSA-N 2 0 276.428 1.805 10 0 CDAERP C[C@@H]1C[N@H+](Cc2cnc(N(C)C)s2)C[C@H]1CC[NH3+] ZINC001119544347 937730562 /nfs/dbraw/zinc/73/05/62/937730562.db2.gz MJMPOGOANCFBAO-GHMZBOCLSA-N 2 0 268.430 1.626 10 0 CDAERP CC/C=C\CC[NH+]1CC([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001276460090 939756311 /nfs/dbraw/zinc/75/63/11/939756311.db2.gz IMTGSFTWHVCOTL-XVWMLYKFSA-N 2 0 293.455 1.875 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)C1 ZINC001649868155 1169449687 /nfs/dbraw/zinc/44/96/87/1169449687.db2.gz XUIKSXXARVMMII-LJISPDSOSA-N 2 0 296.459 1.499 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001276852921 941643587 /nfs/dbraw/zinc/64/35/87/941643587.db2.gz KYYJHTFKQOYTMO-CVEARBPZSA-N 2 0 293.455 1.709 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+](C(C)C)C1 ZINC001362073054 970849992 /nfs/dbraw/zinc/84/99/92/970849992.db2.gz ICQGFUHFOQANPW-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP C[NH+](C)C1(C(=O)NCC2([NH2+]CCCF)CC2)CCC1 ZINC001277079949 941922598 /nfs/dbraw/zinc/92/25/98/941922598.db2.gz LYBZWGVNXUUFIL-UHFFFAOYSA-N 2 0 271.380 1.069 10 0 CDAERP CC(C)C[NH2+]CC[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001280173905 942421869 /nfs/dbraw/zinc/42/18/69/942421869.db2.gz ULODUBDLAANAID-OAHLLOKOSA-N 2 0 283.460 1.812 10 0 CDAERP CC(C)=CC[NH+]1CC([C@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001282739438 942747355 /nfs/dbraw/zinc/74/73/55/942747355.db2.gz UQZAGLWIFGLPMD-GJZGRUSLSA-N 2 0 293.455 1.731 10 0 CDAERP CC(C)=CC[NH+]1CC([C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001282739441 942747421 /nfs/dbraw/zinc/74/74/21/942747421.db2.gz UQZAGLWIFGLPMD-HUUCEWRRSA-N 2 0 293.455 1.731 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1CCCCCF ZINC001264731297 944171577 /nfs/dbraw/zinc/17/15/77/944171577.db2.gz JDPUVQWTCZRRPR-ILXRZTDVSA-N 2 0 299.434 1.657 10 0 CDAERP C[N@H+](CCCNC(=O)C[NH+]1CCCC1)Cc1ccsc1 ZINC001265068383 944219467 /nfs/dbraw/zinc/21/94/67/944219467.db2.gz IPDUDLKLRGSZPW-UHFFFAOYSA-N 2 0 295.452 1.782 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001265301665 944335014 /nfs/dbraw/zinc/33/50/14/944335014.db2.gz PDXIQAFNLULZIT-IYKSTZQJSA-N 2 0 293.455 1.875 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]([NH2+]CCCC2CCC2)C1 ZINC001265507381 944413095 /nfs/dbraw/zinc/41/30/95/944413095.db2.gz KPYDUDVAUZGMQE-WKILWMFISA-N 2 0 293.455 1.899 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001265630980 944451771 /nfs/dbraw/zinc/45/17/71/944451771.db2.gz UISLMQZRCWPUIF-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001331345581 944522175 /nfs/dbraw/zinc/52/21/75/944522175.db2.gz FWTUFLFFPCWYMB-UKRRQHHQSA-N 2 0 281.444 1.565 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]CC=C(C)C ZINC001277994905 944538743 /nfs/dbraw/zinc/53/87/43/944538743.db2.gz KRXPDAOHDNIGQX-AWEZNQCLSA-N 2 0 269.433 1.731 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001265983183 944613859 /nfs/dbraw/zinc/61/38/59/944613859.db2.gz OFTPSNKNLGUWIA-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CCCC1 ZINC001362275483 971103796 /nfs/dbraw/zinc/10/37/96/971103796.db2.gz GAEFLLVZTPTCNN-CQSZACIVSA-N 2 0 279.428 1.461 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)CC[N@@H+]2CC[C@H](F)C2)C1 ZINC001362341594 971171013 /nfs/dbraw/zinc/17/10/13/971171013.db2.gz XMNKVPBGTVODOL-MELADBBJSA-N 2 0 285.407 1.409 10 0 CDAERP CC(C)=CC[NH2+]C/C=C\CNC(=O)C12CCC[NH+]1CCC2 ZINC001568879634 1169530712 /nfs/dbraw/zinc/53/07/12/1169530712.db2.gz KKJDYZZWFHXKHR-ARJAWSKDSA-N 2 0 291.439 1.843 10 0 CDAERP [NH3+]CC1CCC([NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)CC1 ZINC001262201687 946517592 /nfs/dbraw/zinc/51/75/92/946517592.db2.gz CMCGHNHCANZQBJ-FTGKKSIPSA-N 2 0 250.386 1.685 10 0 CDAERP CC[N@H+](C)[C@@H]1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH+](C)C[C@H]23)C1 ZINC001479591718 971343019 /nfs/dbraw/zinc/34/30/19/971343019.db2.gz YMHVFOFGPOYBNW-APIJFGDWSA-N 2 0 294.443 1.062 10 0 CDAERP CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)CC(C)(C)C1 ZINC001479748361 971393427 /nfs/dbraw/zinc/39/34/27/971393427.db2.gz UIKFFZVWPNOVRA-CQSZACIVSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001479778821 971413113 /nfs/dbraw/zinc/41/31/13/971413113.db2.gz YIDVGTLDPJKQKY-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)(CNC(=O)CC[N@@H+]1CC[C@H](F)C1)C[NH+]1CCCC1 ZINC001362606236 971448535 /nfs/dbraw/zinc/44/85/35/971448535.db2.gz JRDBINLBOYAYRX-AWEZNQCLSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)NCC2([NH+](C)C)CCC2)C1 ZINC001362668059 971511953 /nfs/dbraw/zinc/51/19/53/971511953.db2.gz QIMGCSJIQXLLGC-CQSZACIVSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H](CNC(=O)c1ccc(C[NH+]2CCCC2)o1)C[NH+](C)C ZINC001362780665 971615284 /nfs/dbraw/zinc/61/52/84/971615284.db2.gz PXYMKBYGMVZVNI-ZDUSSCGKSA-N 2 0 293.411 1.803 10 0 CDAERP CC(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001480227298 971637139 /nfs/dbraw/zinc/63/71/39/971637139.db2.gz DUEACVVOCZOUIS-UPJWGTAASA-N 2 0 278.400 1.481 10 0 CDAERP CC1(C)CCC[N@@H+]1CCNC(=O)CC[NH+]1CC[C@H](F)C1 ZINC001362844376 971661267 /nfs/dbraw/zinc/66/12/67/971661267.db2.gz BPHOMECSZKCHLI-ZDUSSCGKSA-N 2 0 285.407 1.411 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H](C[NH2+]CCCF)C1 ZINC001480294382 971661882 /nfs/dbraw/zinc/66/18/82/971661882.db2.gz HRIDDZCELROQPJ-ZDUSSCGKSA-N 2 0 273.396 1.126 10 0 CDAERP CCCC[NH+]1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001480368685 971689659 /nfs/dbraw/zinc/68/96/59/971689659.db2.gz AUUWDMPYCLODRV-UHFFFAOYSA-N 2 0 293.455 1.807 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001480591381 971798203 /nfs/dbraw/zinc/79/82/03/971798203.db2.gz GZUBIEBHIPIYTF-QWHCGFSZSA-N 2 0 255.406 1.079 10 0 CDAERP C[NH+](C)C1(C(=O)N2CC[C@H]([NH2+]CCCF)C2)CCC1 ZINC001480616020 971809540 /nfs/dbraw/zinc/80/95/40/971809540.db2.gz XECCWXGZMMGARL-LBPRGKRZSA-N 2 0 271.380 1.021 10 0 CDAERP CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001501070656 974526768 /nfs/dbraw/zinc/52/67/68/974526768.db2.gz ICIFBJMOKONVME-OLZOCXBDSA-N 2 0 255.406 1.175 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001569152031 1169694392 /nfs/dbraw/zinc/69/43/92/1169694392.db2.gz STEDZUQKYIDPRP-UONOGXRCSA-N 2 0 267.417 1.341 10 0 CDAERP C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccncc2)C1)C1C[NH2+]C1 ZINC001326413909 954368764 /nfs/dbraw/zinc/36/87/64/954368764.db2.gz MUVGIXIMEMRSHU-GLQYFDAESA-N 2 0 261.369 1.499 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H]1C[N@H+](C)CC1(C)C)[NH+]1CCCCC1 ZINC001364242553 954372377 /nfs/dbraw/zinc/37/23/77/954372377.db2.gz ZTVLSBVCLLUXIO-GJZGRUSLSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCC[C@H]2[NH3+])C[N@@H+]1C1CC1 ZINC001326687361 954491395 /nfs/dbraw/zinc/49/13/95/954491395.db2.gz GKRGBNDMQKUOOV-ZMJPVWNMSA-N 2 0 265.401 1.245 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)NCC[N@H+]2CC=CCC2)CC1 ZINC001297294711 955000883 /nfs/dbraw/zinc/00/08/83/955000883.db2.gz XMDOCWADNBNSSL-UHFFFAOYSA-N 2 0 293.455 1.733 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC(C)([NH2+]CCCF)CC1 ZINC001328048244 955173135 /nfs/dbraw/zinc/17/31/35/955173135.db2.gz ANYPDRIAFGECSB-UHFFFAOYSA-N 2 0 287.423 1.659 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001491645959 955341543 /nfs/dbraw/zinc/34/15/43/955341543.db2.gz MPLRFEIYAAEQFR-ZIAGYGMSSA-N 2 0 269.433 1.633 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001421564174 955411592 /nfs/dbraw/zinc/41/15/92/955411592.db2.gz WJVPATOSKPPUCI-LSDHHAIUSA-N 2 0 283.460 1.667 10 0 CDAERP CC[N@H+](C)C[C@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001328785528 955478247 /nfs/dbraw/zinc/47/82/47/955478247.db2.gz IYVCSTHFNMWVCS-CQSZACIVSA-N 2 0 269.433 1.661 10 0 CDAERP C[NH+]1C[C@]2(C)CN(C(=O)CC[N@@H+]3CC[C@H](F)C3)C[C@@]2(C)C1 ZINC001363347508 972104539 /nfs/dbraw/zinc/10/45/39/972104539.db2.gz QVFNNIWUKDJAQX-NUEKZKHPSA-N 2 0 297.418 1.221 10 0 CDAERP CC[C@H](C(=O)NCC1([NH2+]CC[C@H](C)F)CCC1)[NH+](C)C ZINC001421792560 955548816 /nfs/dbraw/zinc/54/88/16/955548816.db2.gz NHYZEJJJOWUJCX-QWHCGFSZSA-N 2 0 287.423 1.703 10 0 CDAERP C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@H](C)[NH2+]CCCO ZINC001329032338 955640705 /nfs/dbraw/zinc/64/07/05/955640705.db2.gz FCTRMRLUNLNVDV-KBPBESRZSA-N 2 0 299.459 1.116 10 0 CDAERP CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+]C[C@H]1CCOC1)[NH+](C)C ZINC001422157707 955799805 /nfs/dbraw/zinc/79/98/05/955799805.db2.gz QGRRSQCJIMMIGA-RRFJBIMHSA-N 2 0 299.459 1.094 10 0 CDAERP C[C@H]1CN(C[C@@H](O)C[N@H+](C)C2CC2)CC[NH+]1C1CCCC1 ZINC001422255577 955896556 /nfs/dbraw/zinc/89/65/56/955896556.db2.gz XFVSYEUUAALCKU-YOEHRIQHSA-N 2 0 295.471 1.390 10 0 CDAERP CC[N@@H+]1CCN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)[C@H](C)C1 ZINC001365411788 956014697 /nfs/dbraw/zinc/01/46/97/956014697.db2.gz WTFJARMKFFFISK-MCIONIFRSA-N 2 0 282.432 1.062 10 0 CDAERP C[C@H](NC(=O)CC[NH+](C)C)C1C[NH+](CCC2CC2)C1 ZINC001330050364 956249692 /nfs/dbraw/zinc/24/96/92/956249692.db2.gz ZGIOECQBTZFWMH-LBPRGKRZSA-N 2 0 267.417 1.175 10 0 CDAERP CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001422917001 956447312 /nfs/dbraw/zinc/44/73/12/956447312.db2.gz JDLUCPUIYOIAKK-KKUMJFAQSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001366110981 956573643 /nfs/dbraw/zinc/57/36/43/956573643.db2.gz PDBFTODTYKOLEE-ZDEQEGDKSA-N 2 0 271.380 1.066 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCCC3)C2)CCC1 ZINC001366150390 956603798 /nfs/dbraw/zinc/60/37/98/956603798.db2.gz PAOAUYDUZNXGGP-GASCZTMLSA-N 2 0 293.455 1.898 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001316860609 956655054 /nfs/dbraw/zinc/65/50/54/956655054.db2.gz ZJVUGKGVDFGTTD-HUUCEWRRSA-N 2 0 283.460 1.812 10 0 CDAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC1CCCCC1 ZINC001366348638 956763030 /nfs/dbraw/zinc/76/30/30/956763030.db2.gz UGXIHFOYFLMJDV-AWEZNQCLSA-N 2 0 293.455 1.757 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+](Cc2cccnc2)C1 ZINC001423595601 956889922 /nfs/dbraw/zinc/88/99/22/956889922.db2.gz YGWACXDEEWKSET-INIZCTEOSA-N 2 0 290.411 1.114 10 0 CDAERP C[C@@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]CC[C@@H]1CCCO1 ZINC001366513065 956895947 /nfs/dbraw/zinc/89/59/47/956895947.db2.gz XZUTWXWGMVUSFH-GJZGRUSLSA-N 2 0 297.443 1.136 10 0 CDAERP CN(CCF)CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001366585819 956993805 /nfs/dbraw/zinc/99/38/05/956993805.db2.gz RBKVUYZMAFJFBC-OLZOCXBDSA-N 2 0 273.396 1.124 10 0 CDAERP CC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)CC1CCCC1 ZINC001366637713 957069326 /nfs/dbraw/zinc/06/93/26/957069326.db2.gz GGGOHXBWYHRYQW-UHFFFAOYSA-N 2 0 293.455 1.711 10 0 CDAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CC1CCC1 ZINC001424078507 957112357 /nfs/dbraw/zinc/11/23/57/957112357.db2.gz UUFULOWHIOKUTH-DZGCQCFKSA-N 2 0 281.444 1.422 10 0 CDAERP C[C@H](F)CC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001424496793 957253055 /nfs/dbraw/zinc/25/30/55/957253055.db2.gz DPQFGPDQZPBPMW-KBPBESRZSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001317082381 957256173 /nfs/dbraw/zinc/25/61/73/957256173.db2.gz NTOARIFHPNILTN-HDJSIYSDSA-N 2 0 279.428 1.674 10 0 CDAERP CC[NH2+][C@H](C)[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001424782939 957356489 /nfs/dbraw/zinc/35/64/89/957356489.db2.gz GPMSASSBHCJMHZ-MNOVXSKESA-N 2 0 274.368 1.759 10 0 CDAERP Cc1ncc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CC[NH+](C)C)s1 ZINC001424811980 957367177 /nfs/dbraw/zinc/36/71/77/957367177.db2.gz WIOLXGYRLPZTSA-QWRGUYRKSA-N 2 0 298.456 1.386 10 0 CDAERP CC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](CCC2CC2)C1)[NH+](C)C ZINC001367060044 957378463 /nfs/dbraw/zinc/37/84/63/957378463.db2.gz DHHIEEQNUVQPPR-HUUCEWRRSA-N 2 0 281.444 1.659 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](C[NH2+]C/C=C\Cl)C2)C1 ZINC001317341855 957430663 /nfs/dbraw/zinc/43/06/63/957430663.db2.gz CSRZXABFECJRHL-UVCYKKNVSA-N 2 0 285.819 1.129 10 0 CDAERP CC(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001425374735 957522632 /nfs/dbraw/zinc/52/26/32/957522632.db2.gz UTCIMQBZKLPHPD-HRCADAONSA-N 2 0 295.471 1.811 10 0 CDAERP CCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC001332444703 957567489 /nfs/dbraw/zinc/56/74/89/957567489.db2.gz VAEZGGFLQGWRNG-HUUCEWRRSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](F)CC[NH2+][C@@H](C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001425559031 957567833 /nfs/dbraw/zinc/56/78/33/957567833.db2.gz PUSBYFHJEHDRBC-STQMWFEESA-N 2 0 287.423 1.655 10 0 CDAERP CC1CC(C[NH2+]CCN(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001317587737 957585684 /nfs/dbraw/zinc/58/56/84/957585684.db2.gz VKNAEDGUNOVJLW-ZBCRRDGASA-N 2 0 293.455 1.422 10 0 CDAERP CN(CC[NH2+]CC[C@H]1CCCO1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001317600683 957591394 /nfs/dbraw/zinc/59/13/94/957591394.db2.gz MCKSASDNYCMYHV-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CN(CC[NH2+]CC1CCCC1)C(=O)C1CC[NH+](C)CC1 ZINC001317624035 957607086 /nfs/dbraw/zinc/60/70/86/957607086.db2.gz RDYDDWYTTROQHL-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP CN(CC[NH2+]Cc1ccc(F)cc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001317660216 957627645 /nfs/dbraw/zinc/62/76/45/957627645.db2.gz AYOOTCMMJMALQZ-AWEZNQCLSA-N 2 0 293.386 1.325 10 0 CDAERP CC(C)[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)CC1CCC1 ZINC001317709330 957645220 /nfs/dbraw/zinc/64/52/20/957645220.db2.gz XAZZQRAKHLAGKU-INIZCTEOSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@@H+]1CC[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001317812128 957673914 /nfs/dbraw/zinc/67/39/14/957673914.db2.gz VJUUAKFPVFGTKV-AWEZNQCLSA-N 2 0 267.417 1.320 10 0 CDAERP CC[C@H](F)C[NH2+]C1CC(N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001426208966 957840070 /nfs/dbraw/zinc/84/00/70/957840070.db2.gz PIPXEDLTZIGKIK-HSBZDZAISA-N 2 0 299.434 1.798 10 0 CDAERP O=C(C[NH+]1CCCC1)NCCC1CC[NH+](CCF)CC1 ZINC001367215581 957841448 /nfs/dbraw/zinc/84/14/48/957841448.db2.gz ULHOIGVZQFGSAC-UHFFFAOYSA-N 2 0 285.407 1.270 10 0 CDAERP O=C(C[NH+]1CCCC1)NCCC1CC[NH+](CC2CC2)CC1 ZINC001367214089 957847677 /nfs/dbraw/zinc/84/76/77/957847677.db2.gz OOHPXBDXVPJMIT-UHFFFAOYSA-N 2 0 293.455 1.711 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCOC)C1 ZINC001494792092 972308649 /nfs/dbraw/zinc/30/86/49/972308649.db2.gz BMCPXMHUYXOBTF-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]CCC1CC1 ZINC001367433417 958008795 /nfs/dbraw/zinc/00/87/95/958008795.db2.gz PSHIMZAWFFWBSQ-UKRRQHHQSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)[NH2+]CC[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001367637213 958162182 /nfs/dbraw/zinc/16/21/82/958162182.db2.gz JNDDPLCSHHIFDT-CQSZACIVSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]C[C@@H](C)CC ZINC001318604444 958195945 /nfs/dbraw/zinc/19/59/45/958195945.db2.gz UASFXDBLSCHUBJ-UONOGXRCSA-N 2 0 269.433 1.613 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC1CC1 ZINC001367741913 958290549 /nfs/dbraw/zinc/29/05/49/958290549.db2.gz JDLYYMVEJWGKEC-ZFWWWQNUSA-N 2 0 281.444 1.611 10 0 CDAERP COC[C@@H](C)[N@H+]1CC=C(CNC(=O)CCC[NH+](C)C)CC1 ZINC001333389496 958303618 /nfs/dbraw/zinc/30/36/18/958303618.db2.gz BRIIFAONAWCGTL-CQSZACIVSA-N 2 0 297.443 1.111 10 0 CDAERP C[C@H](C[N@H+](C)CC1CCC1)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001367839401 958421800 /nfs/dbraw/zinc/42/18/00/958421800.db2.gz WPFQXDSLHYHMTD-UONOGXRCSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H](C)CNC(=O)Cc1ncc[nH]1 ZINC001319256008 958460106 /nfs/dbraw/zinc/46/01/06/958460106.db2.gz BTXJOEUVRUTHGV-RYUDHWBXSA-N 2 0 266.389 1.340 10 0 CDAERP C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)C[NH2+]CCC1CC1 ZINC001319260690 958462471 /nfs/dbraw/zinc/46/24/71/958462471.db2.gz YMJWXYYJZUPNRZ-OAHLLOKOSA-N 2 0 295.471 1.860 10 0 CDAERP CN(C[C@@H]1CC[N@@H+]1CCCF)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001368431585 958837333 /nfs/dbraw/zinc/83/73/33/958837333.db2.gz KBPNQJSSJGFEIA-KGLIPLIRSA-N 2 0 285.407 1.221 10 0 CDAERP CC[C@H](C)C[NH2+]CC1(NC(=O)CC[NH+](C)C)CCOCC1 ZINC001368634761 959008069 /nfs/dbraw/zinc/00/80/69/959008069.db2.gz KZUODSKMWFDNAW-AWEZNQCLSA-N 2 0 299.459 1.239 10 0 CDAERP CC[C@H](C)C[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001368670682 959027019 /nfs/dbraw/zinc/02/70/19/959027019.db2.gz MAGHTWKBHONSMC-GJZGRUSLSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](C[C@H](C)O)[C@@H]1CC ZINC001368701569 959056138 /nfs/dbraw/zinc/05/61/38/959056138.db2.gz DGTRTQPTLZXJBK-SOUVJXGZSA-N 2 0 299.459 1.068 10 0 CDAERP CC[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1cnoc1C)[NH+](C)C ZINC001368722940 959079554 /nfs/dbraw/zinc/07/95/54/959079554.db2.gz MEBOHUYHXXVYQH-SMDDNHRTSA-N 2 0 296.415 1.308 10 0 CDAERP C[NH+](C)CCC(=O)N1CCCC[C@H]1C[N@H+](C)CCCF ZINC001368821086 959156733 /nfs/dbraw/zinc/15/67/33/959156733.db2.gz PNMOZPHVFUBGFU-AWEZNQCLSA-N 2 0 287.423 1.611 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccccn1 ZINC001368901324 959238839 /nfs/dbraw/zinc/23/88/39/959238839.db2.gz UIWCQBRDDNSTAZ-UONOGXRCSA-N 2 0 292.427 1.406 10 0 CDAERP CC/C=C/CC[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C ZINC001320811563 959404708 /nfs/dbraw/zinc/40/47/08/959404708.db2.gz PLBZPYDZWVFKSL-LQYUOIDQSA-N 2 0 281.444 1.875 10 0 CDAERP CCN(CC[NH2+]CC1CCC1)C(=O)C1(C[NH+](C)C)CC1 ZINC001320826421 959413538 /nfs/dbraw/zinc/41/35/38/959413538.db2.gz IKMLQSCVPOHWSG-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001369203158 959527172 /nfs/dbraw/zinc/52/71/72/959527172.db2.gz CQXVOUMOTNKQDR-HOTGVXAUSA-N 2 0 295.471 1.953 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CCC2CC2)C[C@H]1C ZINC001369393110 959660254 /nfs/dbraw/zinc/66/02/54/959660254.db2.gz BHTKIFKBNAOPSE-UKRRQHHQSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H]1[C@@H]([NH2+]Cc2ccsc2)CCN1C(=O)CC[NH+](C)C ZINC001369401223 959663018 /nfs/dbraw/zinc/66/30/18/959663018.db2.gz ZMKJVGWAKSFNMC-OCCSQVGLSA-N 2 0 295.452 1.779 10 0 CDAERP CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[NH+]1CC ZINC001369516587 959722236 /nfs/dbraw/zinc/72/22/36/959722236.db2.gz RWMWYUFSNXDCPL-GJZGRUSLSA-N 2 0 299.459 1.022 10 0 CDAERP CC(C)C[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001370020121 959960965 /nfs/dbraw/zinc/96/09/65/959960965.db2.gz SAWMELZRSFLHDF-CABCVRRESA-N 2 0 283.460 1.811 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001370282704 960041363 /nfs/dbraw/zinc/04/13/63/960041363.db2.gz PWVKXUYTZGAJSY-TZMCWYRMSA-N 2 0 285.407 1.315 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001370829592 960209599 /nfs/dbraw/zinc/20/95/99/960209599.db2.gz HJEYAJLMNAORDV-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP CC[C@@H](C(=O)NC[C@H](C)[NH2+]CC1CC(C)(C)C1)[NH+](C)C ZINC001371363816 972490709 /nfs/dbraw/zinc/49/07/09/972490709.db2.gz MLMVVMSRXWZWFV-JSGCOSHPSA-N 2 0 283.460 1.857 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N[C@@H](C[NH2+]CCCF)C2CC2)C1 ZINC001323063189 960427474 /nfs/dbraw/zinc/42/74/74/960427474.db2.gz KWTFKESGTNOLCH-JSGCOSHPSA-N 2 0 285.407 1.172 10 0 CDAERP C[C@H](Cn1ccnc1)NC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001433616247 960451813 /nfs/dbraw/zinc/45/18/13/960451813.db2.gz UHSCCMNTHXMWTA-MCIONIFRSA-N 2 0 278.400 1.508 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+](C(C)C)C1)C1CC1 ZINC001433657038 960485675 /nfs/dbraw/zinc/48/56/75/960485675.db2.gz XPCNXBKYKIAKTA-CQSZACIVSA-N 2 0 281.444 1.707 10 0 CDAERP CC[NH2+][C@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)CC1 ZINC001495474734 972515397 /nfs/dbraw/zinc/51/53/97/972515397.db2.gz PQCLWUIESGRJPV-HDJSIYSDSA-N 2 0 269.433 1.755 10 0 CDAERP c1cc(N2CCC[C@H](C[NH+]3CCOCC3)C2)cc[nH+]1 ZINC001336908896 960732887 /nfs/dbraw/zinc/73/28/87/960732887.db2.gz JUBHNMMXRYWGTF-CQSZACIVSA-N 2 0 261.369 1.630 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCCN1C/C=C\Cl ZINC001418636939 960836193 /nfs/dbraw/zinc/83/61/93/960836193.db2.gz HGHAWVYMGGKKNA-VGVVRCBHSA-N 2 0 287.835 1.660 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001418640882 960840261 /nfs/dbraw/zinc/84/02/61/960840261.db2.gz LXFMIHITTLTEHM-KBXIAJHMSA-N 2 0 299.434 1.703 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001418661468 960865274 /nfs/dbraw/zinc/86/52/74/960865274.db2.gz RXLZKWXRYVUVOA-XUWVNRHRSA-N 2 0 295.471 1.859 10 0 CDAERP CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)CC(C)(C)C1 ZINC001418832356 961076644 /nfs/dbraw/zinc/07/66/44/961076644.db2.gz ZRFQWMYJRIDSQT-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CCNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001418912922 961153150 /nfs/dbraw/zinc/15/31/50/961153150.db2.gz JANYJQXPAJQCKR-LSDHHAIUSA-N 2 0 281.444 1.565 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH+](C)C)C1 ZINC001434355214 961189409 /nfs/dbraw/zinc/18/94/09/961189409.db2.gz KRMJFJLHVLXGFT-CABCVRRESA-N 2 0 281.444 1.661 10 0 CDAERP C[C@H](F)CC[NH+]1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001419029670 961282313 /nfs/dbraw/zinc/28/23/13/961282313.db2.gz KRLWOJJUILGEJZ-LBPRGKRZSA-N 2 0 285.407 1.124 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001419094160 961363044 /nfs/dbraw/zinc/36/30/44/961363044.db2.gz SNTOYJLJCDCMMX-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]CCC(F)(F)F ZINC001419279512 961559485 /nfs/dbraw/zinc/55/94/85/961559485.db2.gz YSWIKCPHIKPQFG-NSHDSACASA-N 2 0 297.365 1.763 10 0 CDAERP CC[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC1CCC1 ZINC001419259663 961561047 /nfs/dbraw/zinc/56/10/47/961561047.db2.gz JUVPOWUYTUMWMZ-HUUCEWRRSA-N 2 0 281.444 1.613 10 0 CDAERP Cc1ncccc1C[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001419492099 961758962 /nfs/dbraw/zinc/75/89/62/961758962.db2.gz QSINDPYCKSXSOJ-GASCZTMLSA-N 2 0 290.411 1.079 10 0 CDAERP CC[C@H](F)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCCC1 ZINC001419596286 961858549 /nfs/dbraw/zinc/85/85/49/961858549.db2.gz QTUHXJAMYWRMGU-KBPBESRZSA-N 2 0 299.434 1.847 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N(C)[C@@H](C)C[NH2+]C(C)C ZINC001419683139 961959269 /nfs/dbraw/zinc/95/92/69/961959269.db2.gz PQSJERQYWYFNPG-STQMWFEESA-N 2 0 275.412 1.511 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CC(C)(C)C1 ZINC001419927589 962244230 /nfs/dbraw/zinc/24/42/30/962244230.db2.gz RZAWLUFDUPPGDE-TZMCWYRMSA-N 2 0 281.444 1.469 10 0 CDAERP CC(C)[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCC1CC1 ZINC001419935717 962257374 /nfs/dbraw/zinc/25/73/74/962257374.db2.gz GTVYVPSMAZKJHP-LSDHHAIUSA-N 2 0 281.444 1.469 10 0 CDAERP C[C@@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccccn1 ZINC001420156771 962510067 /nfs/dbraw/zinc/51/00/67/962510067.db2.gz AKEMLVKLDZDWLM-AWEZNQCLSA-N 2 0 290.411 1.162 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCF)C1)[NH+]1CCCC1 ZINC001436975607 962536677 /nfs/dbraw/zinc/53/66/77/962536677.db2.gz GGFXLKSRGAAWOE-MJBXVCDLSA-N 2 0 285.407 1.313 10 0 CDAERP Cc1ncoc1C[NH2+][C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001437145006 962678670 /nfs/dbraw/zinc/67/86/70/962678670.db2.gz JUKCRNXBQJLLFC-NSHDSACASA-N 2 0 294.399 1.062 10 0 CDAERP CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001420454747 962925626 /nfs/dbraw/zinc/92/56/26/962925626.db2.gz XGUOCXHCHSXRCQ-ZFWWWQNUSA-N 2 0 281.444 1.898 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1cncc(F)c1)[NH+](C)C ZINC001420472205 962948521 /nfs/dbraw/zinc/94/85/21/962948521.db2.gz SXVGEDNCPCWRQV-FZMZJTMJSA-N 2 0 296.390 1.155 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001420476344 962955565 /nfs/dbraw/zinc/95/55/65/962955565.db2.gz AMOACKAYMNIOBA-KBPBESRZSA-N 2 0 287.423 1.561 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001437515679 962979854 /nfs/dbraw/zinc/97/98/54/962979854.db2.gz IKGRANDAMLSZGJ-LBPRGKRZSA-N 2 0 273.396 1.124 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+](CC[C@@H](C)F)C1 ZINC001437737567 963155202 /nfs/dbraw/zinc/15/52/02/963155202.db2.gz JDJMAXUJPBYCKT-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001437950650 963255893 /nfs/dbraw/zinc/25/58/93/963255893.db2.gz XBDQSLYWBYFEDV-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP CCCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CC2CC2)C1 ZINC001420811501 963263063 /nfs/dbraw/zinc/26/30/63/963263063.db2.gz NUEWDJGEHOXLPU-HOTGVXAUSA-N 2 0 293.455 1.804 10 0 CDAERP CC[C@@H](F)CN1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001438198290 963358801 /nfs/dbraw/zinc/35/88/01/963358801.db2.gz ZSIUDJSKHHVDAH-AGIUHOORSA-N 2 0 273.396 1.265 10 0 CDAERP Cc1ncoc1C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001438637213 963508460 /nfs/dbraw/zinc/50/84/60/963508460.db2.gz NXXQEEKBAJONKX-AAEUAGOBSA-N 2 0 294.399 1.014 10 0 CDAERP C[C@H](C[NH2+]C/C(Cl)=C/Cl)N(C)C(=O)CC[NH+](C)C ZINC001438676793 963523540 /nfs/dbraw/zinc/52/35/40/963523540.db2.gz ULMOJCZGDCNCID-PAKSIRSJSA-N 2 0 296.242 1.694 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+]Cc1cncs1 ZINC001439266039 963695665 /nfs/dbraw/zinc/69/56/65/963695665.db2.gz LGKQGYKMNYWADJ-NSHDSACASA-N 2 0 284.429 1.079 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1CC1CCC1 ZINC001440280363 963968270 /nfs/dbraw/zinc/96/82/70/963968270.db2.gz XNJDDKTYWJLWAS-HNNXBMFYSA-N 2 0 281.444 1.659 10 0 CDAERP CC[C@H](C(=O)N(C)CCC[N@H+](C)C[C@@H]1CCOC1)[NH+](C)C ZINC001440471060 964065037 /nfs/dbraw/zinc/06/50/37/964065037.db2.gz VOTDSCJVDDTNFJ-LSDHHAIUSA-N 2 0 299.459 1.143 10 0 CDAERP CC[C@H](C(=O)N(C)CCC[N@H+](C)C[C@H]1CCOC1)[NH+](C)C ZINC001440471056 964067653 /nfs/dbraw/zinc/06/76/53/964067653.db2.gz VOTDSCJVDDTNFJ-HUUCEWRRSA-N 2 0 299.459 1.143 10 0 CDAERP C[C@@H]([NH2+]Cc1ccsc1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001440849010 964209224 /nfs/dbraw/zinc/20/92/24/964209224.db2.gz ZKXHDLYOHWEQOX-NEPJUHHUSA-N 2 0 283.441 1.683 10 0 CDAERP O=C(CC[N@H+]1CC[C@@H](F)C1)NCC[NH+]1CCCCC1 ZINC001441346110 964469501 /nfs/dbraw/zinc/46/95/01/964469501.db2.gz HGSHBIUYKUZEMR-CYBMUJFWSA-N 2 0 271.380 1.022 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]([NH2+]CCC3CC3)C2)CC1 ZINC001441402469 964500569 /nfs/dbraw/zinc/50/05/69/964500569.db2.gz CZJPQEAWTNAMRR-HDJSIYSDSA-N 2 0 279.428 1.365 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+][C@@H](C)c1ccccc1F ZINC001441938926 964799430 /nfs/dbraw/zinc/79/94/30/964799430.db2.gz MULYSLKSRUBLNI-STQMWFEESA-N 2 0 295.402 1.933 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)CC[NH+](C)C)C1 ZINC001441954420 964808074 /nfs/dbraw/zinc/80/80/74/964808074.db2.gz BRIXBENPZWYEJW-CHWSQXEVSA-N 2 0 255.406 1.032 10 0 CDAERP C[C@@H](F)CC[NH2+][C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001441976831 964816239 /nfs/dbraw/zinc/81/62/39/964816239.db2.gz AJIMZCZJUUDAQR-KGLIPLIRSA-N 2 0 287.423 1.561 10 0 CDAERP CC[C@@H](F)C[NH2+][C@@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001442151943 964889564 /nfs/dbraw/zinc/88/95/64/964889564.db2.gz YPJOTYNDMRYOBM-UONOGXRCSA-N 2 0 287.423 1.705 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]([NH+](C)CCCF)C1 ZINC001442217263 964927819 /nfs/dbraw/zinc/92/78/19/964927819.db2.gz SFEZVIJOTMHNNF-AWEZNQCLSA-N 2 0 287.423 1.609 10 0 CDAERP CC[N@H+](CCCF)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001442658713 965166345 /nfs/dbraw/zinc/16/63/45/965166345.db2.gz AEWJKSUXLKOVMB-AWEZNQCLSA-N 2 0 285.407 1.126 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001443255368 965417506 /nfs/dbraw/zinc/41/75/06/965417506.db2.gz AYHPNKOBLFPIIG-HOTGVXAUSA-N 2 0 295.471 1.812 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC1C[NH+](CCC2CCCC2)C1 ZINC001443654819 965549572 /nfs/dbraw/zinc/54/95/72/965549572.db2.gz TYXXXAQYNVSONK-UHFFFAOYSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1CCN(Cc2ocnc2C)C1 ZINC001443775768 965603677 /nfs/dbraw/zinc/60/36/77/965603677.db2.gz CHZAFVYTNFALDY-CYBMUJFWSA-N 2 0 294.399 1.015 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)[C@H](C)n1ccnc1 ZINC001347876448 965734985 /nfs/dbraw/zinc/73/49/85/965734985.db2.gz CRMZUKBFFSBWBM-LBPRGKRZSA-N 2 0 266.389 1.681 10 0 CDAERP CC(C)[NH2+]CCC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001444147313 965743500 /nfs/dbraw/zinc/74/35/00/965743500.db2.gz JWUFWBBSQQCOCA-INIZCTEOSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[C@@H](C[NH2+]CC1CCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001444774265 965948360 /nfs/dbraw/zinc/94/83/60/965948360.db2.gz JMMFFEJPLRAUAA-HOTGVXAUSA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)C[N@H+](C)CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001445073789 966088053 /nfs/dbraw/zinc/08/80/53/966088053.db2.gz KXEQEJFNBRRROD-HUUCEWRRSA-N 2 0 283.460 1.905 10 0 CDAERP C[C@H](C[NH2+]CC1CCCC1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001445432960 966195887 /nfs/dbraw/zinc/19/58/87/966195887.db2.gz FEGJIGHAWUWOPR-ZIAGYGMSSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccsc1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001445649188 966264280 /nfs/dbraw/zinc/26/42/80/966264280.db2.gz RUSYUGLVFBXAIG-QWHCGFSZSA-N 2 0 295.452 1.684 10 0 CDAERP CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)C(C)C ZINC001447032473 966685665 /nfs/dbraw/zinc/68/56/65/966685665.db2.gz AWHDRNYWDQIYGI-LSDHHAIUSA-N 2 0 281.444 1.802 10 0 CDAERP C[N@H+](C/C=C\Cl)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001447774519 966870966 /nfs/dbraw/zinc/87/09/66/966870966.db2.gz NAIMQKDWNVGZIH-QDDHOEGMSA-N 2 0 299.846 1.756 10 0 CDAERP C[C@@H](CNC(=O)C1([NH+](C)C)CCCC1)[N@H+](C)C1CC1 ZINC001542814288 967248362 /nfs/dbraw/zinc/24/83/62/967248362.db2.gz VPPBRTSEMZSOGU-LBPRGKRZSA-N 2 0 267.417 1.460 10 0 CDAERP CC(C)N(CC[N@H+](C)CCCF)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001449281299 967417906 /nfs/dbraw/zinc/41/79/06/967417906.db2.gz SHHQDLWVPFAZQA-CQSZACIVSA-N 2 0 287.423 1.467 10 0 CDAERP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC([NH2+]CCC(C)(C)C)C1 ZINC001449405313 967453707 /nfs/dbraw/zinc/45/37/07/967453707.db2.gz CCKUYCQWVYWPTO-NFOMZHRRSA-N 2 0 295.471 1.953 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)NC(=O)[C@@H](C)CC[NH+](C)C ZINC001450784589 967789950 /nfs/dbraw/zinc/78/99/50/967789950.db2.gz QJLKLMHAGOYTKU-KBPBESRZSA-N 2 0 271.449 1.811 10 0 CDAERP CC(C)[NH+]1CCN(C2CC[NH+](C[C@H](O)C3CC3)CC2)CC1 ZINC001459872342 969454542 /nfs/dbraw/zinc/45/45/42/969454542.db2.gz FWRVMMLLQFZVED-KRWDZBQOSA-N 2 0 295.471 1.248 10 0 CDAERP O=C1CC[C@H](C[NH+]2CCC(O)(C[NH+]3CCCCC3)CC2)O1 ZINC001460946944 969571025 /nfs/dbraw/zinc/57/10/25/969571025.db2.gz RAESHYMHTIZVAW-CQSZACIVSA-N 2 0 296.411 1.005 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC(C)C ZINC001496079566 969950910 /nfs/dbraw/zinc/95/09/10/969950910.db2.gz HOXOUQCHQAUQRJ-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+](C(C)C)C1 ZINC001467816563 970105991 /nfs/dbraw/zinc/10/59/91/970105991.db2.gz PTCJRPMWDJMNSN-HUUCEWRRSA-N 2 0 283.460 1.952 10 0 CDAERP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCCCC[NH+](C)C)C[N@@H+]2C1 ZINC001520987239 970253129 /nfs/dbraw/zinc/25/31/29/970253129.db2.gz SYMHZYXPKGRKFX-KFWWJZLASA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC001361764856 970505291 /nfs/dbraw/zinc/50/52/91/970505291.db2.gz KOGALEFOFSIEMM-AWEZNQCLSA-N 2 0 283.460 1.811 10 0 CDAERP O=C(CC[N@H+]1CC[C@H](F)C1)N1CC[NH+](C2CCCC2)CC1 ZINC001361789733 970532233 /nfs/dbraw/zinc/53/22/33/970532233.db2.gz ZGFUMNGRCWXWHY-AWEZNQCLSA-N 2 0 297.418 1.507 10 0 CDAERP C[C@@H](CNC(=O)CC[N@@H+]1CC[C@H](F)C1)C[NH+]1CCCCC1 ZINC001361839795 970590467 /nfs/dbraw/zinc/59/04/67/970590467.db2.gz OREKQYGPPJNMDW-GJZGRUSLSA-N 2 0 299.434 1.659 10 0 CDAERP CCC[NH2+]C[C@@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001495683412 972592721 /nfs/dbraw/zinc/59/27/21/972592721.db2.gz PYZRJRMSNIZUAG-KGLIPLIRSA-N 2 0 269.433 1.613 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+]CC1CC1 ZINC001495817500 972648727 /nfs/dbraw/zinc/64/87/27/972648727.db2.gz ZFVTWIVKZKWRHW-LBPRGKRZSA-N 2 0 255.406 1.079 10 0 CDAERP C[C@H](C[NH2+]CCCF)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001496063170 972782658 /nfs/dbraw/zinc/78/26/58/972782658.db2.gz ZTSIYYBHUXYMIE-OCCSQVGLSA-N 2 0 285.407 1.124 10 0 CDAERP CC[N@H+](CCNC(=O)C[NH+]1CCCC1)CC[C@H]1CCCO1 ZINC001372477866 972971535 /nfs/dbraw/zinc/97/15/35/972971535.db2.gz SLMUQXUPKYQVQB-OAHLLOKOSA-N 2 0 297.443 1.089 10 0 CDAERP CC(C)CC[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)C1CC1 ZINC001372901862 973189868 /nfs/dbraw/zinc/18/98/68/973189868.db2.gz YLLUZVYDWDDIJF-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](CC[NH2+]CCF)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001497252676 973262394 /nfs/dbraw/zinc/26/23/94/973262394.db2.gz AVTPTVMKIMQXLM-AGIUHOORSA-N 2 0 273.396 1.171 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]C(C)C ZINC001497600159 973428370 /nfs/dbraw/zinc/42/83/70/973428370.db2.gz POTNSLGVIINVAU-VBROQKIQSA-N 2 0 267.417 1.531 10 0 CDAERP CC(C)[NH2+]C/C=C\CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001497603423 973428839 /nfs/dbraw/zinc/42/88/39/973428839.db2.gz XETDNAXIXXLHBL-ZRUQZJFASA-N 2 0 267.417 1.531 10 0 CDAERP CC[C@@H](F)C[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001497651274 973450539 /nfs/dbraw/zinc/45/05/39/973450539.db2.gz WAENSCCPFKHPJH-DIABFLQPSA-N 2 0 271.380 1.091 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)NC/C=C/C[NH2+]CC2CC2)CC1 ZINC001497713639 973473882 /nfs/dbraw/zinc/47/38/82/973473882.db2.gz QZSHCJNAYOPLFD-ONEGZZNKSA-N 2 0 293.455 1.779 10 0 CDAERP CC(C)CCC[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001373528096 973479380 /nfs/dbraw/zinc/47/93/80/973479380.db2.gz HBOKPXGODXBMPI-OAHLLOKOSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)CCC[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001497750791 973487368 /nfs/dbraw/zinc/48/73/68/973487368.db2.gz WEWVURURWRKZHJ-RGDDUWESSA-N 2 0 281.444 1.636 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001417943034 973488544 /nfs/dbraw/zinc/48/85/44/973488544.db2.gz HWBPQOCXMVAUDF-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C)C[NH2+]C(C)C)[NH+](CC)CC ZINC001497908550 973573853 /nfs/dbraw/zinc/57/38/53/973573853.db2.gz PKMJOMVBMBODPS-OLZOCXBDSA-N 2 0 257.422 1.610 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C)C[NH2+]CCC1CC1)[NH+](C)C ZINC001497912790 973573961 /nfs/dbraw/zinc/57/39/61/973573961.db2.gz NDVBDRXKQLUMBG-YPMHNXCESA-N 2 0 255.406 1.221 10 0 CDAERP C[C@H]1CC[C@@H](C[NH2+][C@H]2C[C@@H](NC(=O)CCC[NH+](C)C)C2)O1 ZINC001418101314 973585439 /nfs/dbraw/zinc/58/54/39/973585439.db2.gz DKHQVXHIXSSOSW-XQLPTFJDSA-N 2 0 297.443 1.133 10 0 CDAERP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)CCCO ZINC001498397054 973882884 /nfs/dbraw/zinc/88/28/84/973882884.db2.gz DWRNMFXIFHSBBM-LSDHHAIUSA-N 2 0 299.459 1.068 10 0 CDAERP CC(C)C[C@H](C[NH2+]C(C)C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001374351442 973907203 /nfs/dbraw/zinc/90/72/03/973907203.db2.gz ACJOFWPRPICTEG-CABCVRRESA-N 2 0 283.460 2.000 10 0 CDAERP CC(C)C[N@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001418507015 973909996 /nfs/dbraw/zinc/90/99/96/973909996.db2.gz UDDZGAFOOKTIIE-CABCVRRESA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H](F)CC[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001498655565 974012413 /nfs/dbraw/zinc/01/24/13/974012413.db2.gz RLDCBRNOIHTTIE-QWHCGFSZSA-N 2 0 273.396 1.124 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]CC[C@@H]2CCCO2)CC1 ZINC001499458631 974257190 /nfs/dbraw/zinc/25/71/90/974257190.db2.gz JXZQXDAVFLPTDJ-AWEZNQCLSA-N 2 0 297.443 1.134 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)CC ZINC001375480384 974400036 /nfs/dbraw/zinc/40/00/36/974400036.db2.gz XBMVYCQQVUSUFA-GJZGRUSLSA-N 2 0 283.460 1.907 10 0 CDAERP C[C@H](F)CC[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001376062818 974551283 /nfs/dbraw/zinc/55/12/83/974551283.db2.gz WZMOWZOQLHCOKT-UONOGXRCSA-N 2 0 299.434 1.657 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](C/C=C\Cl)C2 ZINC001376306513 974626059 /nfs/dbraw/zinc/62/60/59/974626059.db2.gz RALDWWCQYCYCOD-JNNWSRRJSA-N 2 0 299.846 1.660 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001376366354 974642647 /nfs/dbraw/zinc/64/26/47/974642647.db2.gz MQAZAFNJTXPIMK-MGPQQGTHSA-N 2 0 281.444 1.754 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001376380392 974646672 /nfs/dbraw/zinc/64/66/72/974646672.db2.gz ZJSMJHSLEYUIIG-JYJNAYRXSA-N 2 0 295.471 1.860 10 0 CDAERP C[C@H](F)CC[N@H+]1C[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C1 ZINC001376418790 974656151 /nfs/dbraw/zinc/65/61/51/974656151.db2.gz PPHBPCYRVXJWQT-SOUVJXGZSA-N 2 0 299.434 1.467 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]2C[NH+](CC)CC[C@@H]21 ZINC001376450229 974666377 /nfs/dbraw/zinc/66/63/77/974666377.db2.gz JRSDYQPFMJUALN-CABCVRRESA-N 2 0 281.444 1.661 10 0 CDAERP CC[C@@H](C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1)OC ZINC001376461715 974667779 /nfs/dbraw/zinc/66/77/79/974667779.db2.gz IIQMDCJTDHWSHP-GUTXKFCHSA-N 2 0 297.443 1.133 10 0 CDAERP CC(C)[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001376741407 974751298 /nfs/dbraw/zinc/75/12/98/974751298.db2.gz CRZCYPXLKGPGKE-HIFRSBDPSA-N 2 0 281.444 1.896 10 0 CDAERP C[C@H](CNC(=O)CCC[NH+](C)C)[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001376803937 974776091 /nfs/dbraw/zinc/77/60/91/974776091.db2.gz NNFRGTKDBBWWSN-KGLIPLIRSA-N 2 0 299.459 1.238 10 0 CDAERP CCCC[NH+]1CCC(CO)(NC(=O)CCC[NH+](C)C)CC1 ZINC001505386608 974856587 /nfs/dbraw/zinc/85/65/87/974856587.db2.gz UMKGOAJIWWDFHZ-UHFFFAOYSA-N 2 0 299.459 1.071 10 0 CDAERP O=C(CC[NH+]1CCCCC1)N1CCCC[C@H]1C[NH2+]CCF ZINC001505411648 974863745 /nfs/dbraw/zinc/86/37/45/974863745.db2.gz YANUSTFUOKUKCE-HNNXBMFYSA-N 2 0 299.434 1.803 10 0 CDAERP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)[NH2+]CC1CCC1 ZINC001505733499 974976535 /nfs/dbraw/zinc/97/65/35/974976535.db2.gz UFVMEDYVGMLKHI-QWHCGFSZSA-N 2 0 279.428 1.365 10 0 CDAERP COCC[NH2+]CC(C)(C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001505833434 974998202 /nfs/dbraw/zinc/99/82/02/974998202.db2.gz HFZRYYBPHYKSMD-AWEZNQCLSA-N 2 0 299.459 1.049 10 0 CDAERP CC(C)CCC[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001506056155 975103188 /nfs/dbraw/zinc/10/31/88/975103188.db2.gz BFWWELCMRIJRIT-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)C[C@H]1CCCCO1 ZINC001506065923 975106871 /nfs/dbraw/zinc/10/68/71/975106871.db2.gz YOLMVLGKIZIZTD-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)CC[NH+]1CC(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001377977307 975190444 /nfs/dbraw/zinc/19/04/44/975190444.db2.gz SQRJRJSWBMBFGE-UHFFFAOYSA-N 2 0 281.444 1.565 10 0 CDAERP CCCC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001506932129 975264781 /nfs/dbraw/zinc/26/47/81/975264781.db2.gz GHGAOQXJLQOIFM-ZIAGYGMSSA-N 2 0 269.433 1.755 10 0 CDAERP C[C@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CCC1CC1 ZINC001507074748 975326157 /nfs/dbraw/zinc/32/61/57/975326157.db2.gz WKXCYSURRJTMPL-CZUORRHYSA-N 2 0 293.455 1.565 10 0 CDAERP CC[C@H](C)C[NH+]1CC([C@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001378525028 975377448 /nfs/dbraw/zinc/37/74/48/975377448.db2.gz BJXDIDGHYMOLHJ-KBPBESRZSA-N 2 0 295.471 1.953 10 0 CDAERP CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001378726821 975458298 /nfs/dbraw/zinc/45/82/98/975458298.db2.gz PRYYDLYECWMHQV-JONQDZQNSA-N 2 0 295.471 1.811 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001401097992 975461748 /nfs/dbraw/zinc/46/17/48/975461748.db2.gz PODPHXVFPPPCNN-HUUCEWRRSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@@H]1[C@H]2C[NH+](C[C@@H](C)CC)C[C@H]21 ZINC001378770635 975486250 /nfs/dbraw/zinc/48/62/50/975486250.db2.gz YDEIZYDXTYGWKK-YHUYYLMFSA-N 2 0 295.471 1.668 10 0 CDAERP COC[C@@H](C)[NH2+]CC[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001378922658 975542797 /nfs/dbraw/zinc/54/27/97/975542797.db2.gz VIXOSFODBQVIIQ-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)[NH+](C)CC(=O)N(C)C[C@H]1CC[N@H+]1CCC[C@H](C)O ZINC001388665348 975544144 /nfs/dbraw/zinc/54/41/44/975544144.db2.gz LANNUCUPRSAXJU-LSDHHAIUSA-N 2 0 299.459 1.020 10 0 CDAERP C[C@H](F)CC[N@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001378933490 975548326 /nfs/dbraw/zinc/54/83/26/975548326.db2.gz YHVBVTOTCWSFLL-KBPBESRZSA-N 2 0 299.434 1.609 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1CCC1CC1 ZINC001397806848 975722246 /nfs/dbraw/zinc/72/22/46/975722246.db2.gz ZRFSOYIQYIPWDC-HIFRSBDPSA-N 2 0 281.444 1.707 10 0 CDAERP Cc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)CC[NH+](C)C)cc1 ZINC001379233662 975722728 /nfs/dbraw/zinc/72/27/28/975722728.db2.gz ZNVALPVLFGLBKM-HNNXBMFYSA-N 2 0 291.439 1.883 10 0 CDAERP CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]Cc1ccns1 ZINC001405358873 975723217 /nfs/dbraw/zinc/72/32/17/975723217.db2.gz DGKDNUPCOHHGSS-LBPRGKRZSA-N 2 0 298.456 1.468 10 0 CDAERP COc1ccc(C[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C)cc1 ZINC001401700982 975811253 /nfs/dbraw/zinc/81/12/53/975811253.db2.gz VKJTWDURFUELTQ-ZDUSSCGKSA-N 2 0 293.411 1.241 10 0 CDAERP C[C@H](C[NH2+]Cc1ccc(Cl)cc1)NC(=O)CC[NH+](C)C ZINC001379423104 975833259 /nfs/dbraw/zinc/83/32/59/975833259.db2.gz XFUFMDVNIPZCHW-GFCCVEGCSA-N 2 0 297.830 1.886 10 0 CDAERP Cc1csc(C[NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)C2)n1 ZINC001398524954 976016965 /nfs/dbraw/zinc/01/69/65/976016965.db2.gz OFCIKFYRHDRJAB-LBPRGKRZSA-N 2 0 296.440 1.094 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001401930137 976017441 /nfs/dbraw/zinc/01/74/41/976017441.db2.gz QFSKNFPYQHTZIL-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)CCC(=O)NCC1([NH2+]Cc2ccccc2)CC1 ZINC001401960315 976041761 /nfs/dbraw/zinc/04/17/61/976041761.db2.gz GYMCCNUTMBGKNB-UHFFFAOYSA-N 2 0 275.396 1.377 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001390003946 976082102 /nfs/dbraw/zinc/08/21/02/976082102.db2.gz IPKJXWMJEDHBLR-RWMBFGLXSA-N 2 0 283.391 1.067 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCC[NH+](CCCF)C2)C1 ZINC001398688666 976106978 /nfs/dbraw/zinc/10/69/78/976106978.db2.gz LJMUEOVYYSBGCK-LSDHHAIUSA-N 2 0 299.434 1.516 10 0 CDAERP CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001406365058 976150993 /nfs/dbraw/zinc/15/09/93/976150993.db2.gz YGRMHKDBIXUUDB-KGLIPLIRSA-N 2 0 281.444 1.755 10 0 CDAERP CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001402244518 976198303 /nfs/dbraw/zinc/19/83/03/976198303.db2.gz MYLBRAOZGVNYPX-GFCCVEGCSA-N 2 0 291.386 1.422 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C1CC[NH+](CCF)CC1)[NH+](C)C ZINC001380128161 976255241 /nfs/dbraw/zinc/25/52/41/976255241.db2.gz BJUNWAWLWOHHSV-TZMCWYRMSA-N 2 0 287.423 1.513 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CC1)C2 ZINC001402400594 976266361 /nfs/dbraw/zinc/26/63/61/976266361.db2.gz GIQNXAWFJQDKSE-ZNMIVQPWSA-N 2 0 279.428 1.317 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]C/C=C\Cl ZINC001390389919 976273174 /nfs/dbraw/zinc/27/31/74/976273174.db2.gz BFKIIEJIKKVPJC-LWSHCTJVSA-N 2 0 273.808 1.318 10 0 CDAERP C[C@H](F)CC[NH2+]C1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001380167899 976274649 /nfs/dbraw/zinc/27/46/49/976274649.db2.gz QHCIHGWEEVNSQN-GRTSSRMGSA-N 2 0 299.434 1.655 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[NH+](CCCF)C2 ZINC001402417079 976277195 /nfs/dbraw/zinc/27/71/95/976277195.db2.gz SMIBTOOWCPUDHX-KKUMJFAQSA-N 2 0 299.434 1.655 10 0 CDAERP CC(C)CCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001406587202 976280408 /nfs/dbraw/zinc/28/04/08/976280408.db2.gz RDKIVNZSJXODKB-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1cncs1 ZINC001390533740 976355342 /nfs/dbraw/zinc/35/53/42/976355342.db2.gz LMPPBJXRRBBEKE-NSHDSACASA-N 2 0 284.429 1.078 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001402785175 976480729 /nfs/dbraw/zinc/48/07/29/976480729.db2.gz YGOYJRZZVNNZJD-ZIAGYGMSSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]C[C@@H]2CC[C@@H](C)O2)CC1 ZINC001407004084 976509078 /nfs/dbraw/zinc/50/90/78/976509078.db2.gz JAQYOJUXVUAVIN-KGLIPLIRSA-N 2 0 297.443 1.133 10 0 CDAERP CC[C@H](F)C[NH2+]C1(CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001407000096 976509693 /nfs/dbraw/zinc/50/96/93/976509693.db2.gz BUZDLNGRKAMXAW-AWEZNQCLSA-N 2 0 299.434 1.849 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001380692124 976517104 /nfs/dbraw/zinc/51/71/04/976517104.db2.gz SWOFDQIPCBNMIP-CABCVRRESA-N 2 0 281.444 1.422 10 0 CDAERP CN(C(=O)C1(C[NH+](C)C)CC1)C1C[NH+](CC2CCC2)C1 ZINC001407059411 976533526 /nfs/dbraw/zinc/53/35/26/976533526.db2.gz ROGQNKYPBNLUFF-UHFFFAOYSA-N 2 0 279.428 1.271 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CCF ZINC001402931626 976600316 /nfs/dbraw/zinc/60/03/16/976600316.db2.gz PVHSACMTBWBQIL-CHWSQXEVSA-N 2 0 273.396 1.171 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CC1)C2 ZINC001407467533 976672433 /nfs/dbraw/zinc/67/24/33/976672433.db2.gz BPUIIRWUAOOONV-XHSDSOJGSA-N 2 0 293.455 1.707 10 0 CDAERP C[C@H](F)CC[NH2+][C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001403069643 976693969 /nfs/dbraw/zinc/69/39/69/976693969.db2.gz PHLZHXLRQHXRPJ-STQMWFEESA-N 2 0 287.423 1.561 10 0 CDAERP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccccc1 ZINC001403144329 976760223 /nfs/dbraw/zinc/76/02/23/976760223.db2.gz QVACVJAEZAQREA-CQSZACIVSA-N 2 0 275.396 1.377 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001381413286 976812071 /nfs/dbraw/zinc/81/20/71/976812071.db2.gz BRYGQYXKCHNDKF-WDEREUQCSA-N 2 0 291.386 1.466 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001391372387 976844354 /nfs/dbraw/zinc/84/43/54/976844354.db2.gz ACOQITOMHGQGAP-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP CC[NH2+][C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001400080444 976845673 /nfs/dbraw/zinc/84/56/73/976845673.db2.gz FCZXWSMIJZETSO-GOEBONIOSA-N 2 0 289.423 1.795 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1C[NH+](CCC2CC2)C1 ZINC001391485810 976912260 /nfs/dbraw/zinc/91/22/60/976912260.db2.gz GNSIMNYOYDGFBQ-MRXNPFEDSA-N 2 0 293.455 1.709 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NCC[C@@H]2CC[NH+](CC3CCC3)C2)C1 ZINC001400181323 976914896 /nfs/dbraw/zinc/91/48/96/976914896.db2.gz DZZBDMANTXVOBX-CVEARBPZSA-N 2 0 293.455 1.566 10 0 CDAERP CC[C@@H](C)C[N@H+](C)[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001381561967 976917261 /nfs/dbraw/zinc/91/72/61/976917261.db2.gz CZVSTHACMIRQIJ-KGLIPLIRSA-N 2 0 283.460 1.811 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)COC)CC1(C)C ZINC001381869063 977061576 /nfs/dbraw/zinc/06/15/76/977061576.db2.gz HZZLLOUNGWNTSD-ZIAGYGMSSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001403636052 977116564 /nfs/dbraw/zinc/11/65/64/977116564.db2.gz UZXUZVKEGLQJSG-CABCVRRESA-N 2 0 299.459 1.047 10 0 CDAERP CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1cc(C)no1)[NH+](C)C ZINC001392080861 977213023 /nfs/dbraw/zinc/21/30/23/977213023.db2.gz WJMPURWNOVQWTQ-GXTWGEPZSA-N 2 0 296.415 1.260 10 0 CDAERP CC(C)[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001403861224 977234475 /nfs/dbraw/zinc/23/44/75/977234475.db2.gz BEBYZKRFDRSWCE-LSDHHAIUSA-N 2 0 299.459 1.068 10 0 CDAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC1CCC1 ZINC001392478854 977456987 /nfs/dbraw/zinc/45/69/87/977456987.db2.gz BPBSSHPXSUFBIK-UKRRQHHQSA-N 2 0 281.444 1.754 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@]2(C)CC[NH+](CC3CCC3)C2)C1 ZINC001393119960 977713730 /nfs/dbraw/zinc/71/37/30/977713730.db2.gz WMMYQHTZXRWLKK-RHSMWYFYSA-N 2 0 293.455 1.709 10 0 CDAERP C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1C[NH+](CC2CC2)C1 ZINC001394253118 978118927 /nfs/dbraw/zinc/11/89/27/978118927.db2.gz TZTGFSKSTAUNCO-OLZOCXBDSA-N 2 0 279.428 1.175 10 0 CDAERP CC[NH2+][C@H](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC001394416448 978154220 /nfs/dbraw/zinc/15/42/20/978154220.db2.gz ZKZXANQNHBQXEZ-SOUVJXGZSA-N 2 0 283.460 1.857 10 0 CDAERP CC1(C)CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]C/C=C/Cl ZINC001394713077 978237334 /nfs/dbraw/zinc/23/73/34/978237334.db2.gz JGYOMBSYYFFYPE-URWSZGRFSA-N 2 0 299.846 1.661 10 0 CDAERP CCCC[NH2+][C@H](C)[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001674747662 1174003633 /nfs/dbraw/zinc/00/36/33/1174003633.db2.gz JMNKKXJBTAKLGZ-ZIAGYGMSSA-N 2 0 299.459 1.380 10 0 CDAERP Cc1nc[nH]c1CC(=O)N[C@H]1C[C@H](C[NH2+]CCCF)C1 ZINC001571187023 1170345188 /nfs/dbraw/zinc/34/51/88/1170345188.db2.gz KMLURHPSKPFVAP-HAQNSBGRSA-N 2 0 282.363 1.105 10 0 CDAERP CC[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001571399723 1170412542 /nfs/dbraw/zinc/41/25/42/1170412542.db2.gz XKPDZZJKVBHEIR-GFCCVEGCSA-N 2 0 255.406 1.317 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000601045760 342461120 /nfs/dbraw/zinc/46/11/20/342461120.db2.gz OBKPXFORZIRVMY-HIFRSBDPSA-N 2 0 281.444 1.707 10 0 CDAERP COc1cc(OC)c(C[NH2+]CCC2(C[NH3+])CC2)c(OC)c1 ZINC000650711756 398154708 /nfs/dbraw/zinc/15/47/08/398154708.db2.gz CKXIYZSBFQLULT-UHFFFAOYSA-N 2 0 294.395 1.931 10 0 CDAERP CCO[C@H](C[N@@H+]1CC[C@@H](CN2CCOCC2)C1)C1CC1 ZINC000625183556 342038612 /nfs/dbraw/zinc/03/86/12/342038612.db2.gz NCKDOUFZHQHCQJ-GOEBONIOSA-N 2 0 282.428 1.456 10 0 CDAERP C(CN1CC[C@H](C[NH+]2CCCC2)C1)OC1CCOCC1 ZINC000625184019 342038803 /nfs/dbraw/zinc/03/88/03/342038803.db2.gz DAWBYMLODBRGRG-OAHLLOKOSA-N 2 0 282.428 1.600 10 0 CDAERP CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@@H](C[NH3+])CC1 ZINC000616600412 361776495 /nfs/dbraw/zinc/77/64/95/361776495.db2.gz DUVMLJIIAXHLDR-GFCCVEGCSA-N 2 0 271.405 1.572 10 0 CDAERP COc1cncc(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000625214981 342041569 /nfs/dbraw/zinc/04/15/69/342041569.db2.gz XXDDLFYLONEARR-AAEUAGOBSA-N 2 0 264.373 1.400 10 0 CDAERP CCO[C@H](C[N@H+](C)CCCN1CC[NH+](C)CC1)C1CC1 ZINC000625274227 342074075 /nfs/dbraw/zinc/07/40/75/342074075.db2.gz IBOWMABWOBHHRX-MRXNPFEDSA-N 2 0 283.460 1.371 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)NC[C@@H]1CCC[NH+](C)C1 ZINC000650859538 398245822 /nfs/dbraw/zinc/24/58/22/398245822.db2.gz IUDDFNNJZMIAQU-HNNXBMFYSA-N 2 0 298.475 1.605 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)NCC[NH+](C)C1CC1 ZINC000650868689 398247046 /nfs/dbraw/zinc/24/70/46/398247046.db2.gz NRGJOVANQLUSSF-UHFFFAOYSA-N 2 0 284.448 1.358 10 0 CDAERP [NH3+]CCN1CC[NH2+]C[C@H]1c1ccnc2ccccc21 ZINC000616636533 342121827 /nfs/dbraw/zinc/12/18/27/342121827.db2.gz VKNQORXOBFQGNR-HNNXBMFYSA-N 2 0 256.353 1.140 10 0 CDAERP [NH3+]CCN1CC[NH2+][C@@H](c2ccc3ccccc3n2)C1 ZINC000616654765 342124451 /nfs/dbraw/zinc/12/44/51/342124451.db2.gz PMNGUFUEXRFVHB-OAHLLOKOSA-N 2 0 256.353 1.140 10 0 CDAERP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)CC1C[NH+](C)C1 ZINC000618191985 342137193 /nfs/dbraw/zinc/13/71/93/342137193.db2.gz ZYFFKCJGXGRTFT-NSHDSACASA-N 2 0 255.406 1.173 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(CC2(O)CCOCC2)C1 ZINC000440072033 361847969 /nfs/dbraw/zinc/84/79/69/361847969.db2.gz LPLGCJRVERHWBD-XHSDSOJGSA-N 2 0 296.455 1.865 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(C)c(OC)c1 ZINC000422764268 536596465 /nfs/dbraw/zinc/59/64/65/536596465.db2.gz PUANLWSFOSHRMJ-CQSZACIVSA-N 2 0 266.385 1.847 10 0 CDAERP CSc1ccc(C[NH2+]CCOCCC[NH3+])cc1 ZINC000629398093 361930119 /nfs/dbraw/zinc/93/01/19/361930119.db2.gz LYONRNKDCOZOMQ-UHFFFAOYSA-N 2 0 254.399 1.864 10 0 CDAERP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000263142338 361990787 /nfs/dbraw/zinc/99/07/87/361990787.db2.gz CKNZLOPTBXHWLT-SJORKVTESA-N 2 0 283.375 1.419 10 0 CDAERP CCOC(=O)CC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000600752746 342248331 /nfs/dbraw/zinc/24/83/31/342248331.db2.gz GTSLMYJNTNSMKX-CQSZACIVSA-N 2 0 284.400 1.030 10 0 CDAERP CC[NH+](CC)CCO[C@H]1CCN(Cc2cncnc2)C1 ZINC000354078886 539099853 /nfs/dbraw/zinc/09/98/53/539099853.db2.gz ZQLFVSMDTRRGPS-HNNXBMFYSA-N 2 0 278.400 1.409 10 0 CDAERP COCCN1CCC[C@H]1C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000163449138 539122754 /nfs/dbraw/zinc/12/27/54/539122754.db2.gz NKPQYCKJPCCWDZ-HOCLYGCPSA-N 2 0 283.460 1.417 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CC[NH+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000626012654 342288928 /nfs/dbraw/zinc/28/89/28/342288928.db2.gz AXIBYHCKRUCPAG-HRCADAONSA-N 2 0 266.429 1.955 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCCCC(=O)OC)[C@@H](C)C1 ZINC000599332182 344021155 /nfs/dbraw/zinc/02/11/55/344021155.db2.gz MHSAQWDZXWTLGO-KBPBESRZSA-N 2 0 270.417 1.992 10 0 CDAERP COCCC[NH+]1CCC([NH2+][C@H](C)[C@@H]2C[C@H]2C(=O)OC)CC1 ZINC000594924595 342988899 /nfs/dbraw/zinc/98/88/99/342988899.db2.gz JOSOJJPFTFRINY-VHDGCEQUSA-N 2 0 298.427 1.275 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](c1ccc(C)cc1)N(C)C ZINC000422794161 536850609 /nfs/dbraw/zinc/85/06/09/536850609.db2.gz YRGGFLUZIJCXFT-IRXDYDNUSA-N 2 0 293.455 1.941 10 0 CDAERP C[NH2+]CC1CC[NH+](CCOC2CCOCC2)CC1 ZINC000629512270 362123841 /nfs/dbraw/zinc/12/38/41/362123841.db2.gz UFKWOTNTSFLWAN-UHFFFAOYSA-N 2 0 256.390 1.113 10 0 CDAERP [NH3+][C@H]1CCC[C@H]([NH2+]C[C@@H]2Cc3ccccc3CO2)C1 ZINC000629513998 362129036 /nfs/dbraw/zinc/12/90/36/362129036.db2.gz NSHFLYKABXUNQV-JYJNAYRXSA-N 2 0 260.381 1.987 10 0 CDAERP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000629514890 362129882 /nfs/dbraw/zinc/12/98/82/362129882.db2.gz VCAYWLMVESVCMP-KBMXLJTQSA-N 2 0 260.381 1.845 10 0 CDAERP Cn1nccc1[C@H]1CCC[C@H]([NH2+]CC2([NH3+])CCOCC2)C1 ZINC000629521042 362135569 /nfs/dbraw/zinc/13/55/69/362135569.db2.gz OAFAXKNXQLJIGV-KBPBESRZSA-N 2 0 292.427 1.544 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000629529616 362159069 /nfs/dbraw/zinc/15/90/69/362159069.db2.gz IREBTZDSCJJTIX-LBPRGKRZSA-N 2 0 252.358 1.066 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1N[C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000629528185 362153287 /nfs/dbraw/zinc/15/32/87/362153287.db2.gz RRPBXNQIWWHSIP-SLBVQIDZSA-N 2 0 261.413 1.675 10 0 CDAERP CC[NH2+][C@H](C)CNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000659308087 412510206 /nfs/dbraw/zinc/51/02/06/412510206.db2.gz VGCCGUZZBAJVQN-IUODEOHRSA-N 2 0 289.423 1.793 10 0 CDAERP Cc1ccc([C@H](C)NC[C@H](O)C[N@H+](C)C2CC2)o1 ZINC000289612301 362425990 /nfs/dbraw/zinc/42/59/90/362425990.db2.gz UKIJHPSPDXWGAW-AAEUAGOBSA-N 2 0 252.358 1.694 10 0 CDAERP NC(=[NH2+])N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000306741827 362439339 /nfs/dbraw/zinc/43/93/39/362439339.db2.gz FBXLWUFYMLVJHD-KGLIPLIRSA-N 2 0 258.369 1.334 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)C[C@H]2CSCC[NH2+]2)CC[N@@H+]1C ZINC000262843735 344698311 /nfs/dbraw/zinc/69/83/11/344698311.db2.gz XWEPNJSGYNJUSJ-AGIUHOORSA-N 2 0 285.457 1.023 10 0 CDAERP CC[NH+](CC)CCSCC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000073433938 349924083 /nfs/dbraw/zinc/92/40/83/349924083.db2.gz JAZXYWKGYDEVED-ZDUSSCGKSA-N 2 0 287.473 1.272 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CCC(=O)NC(C)(C)C)CC1(C)C ZINC000623405556 346185210 /nfs/dbraw/zinc/18/52/10/346185210.db2.gz NWCVCMZHOLSJEQ-GFCCVEGCSA-N 2 0 269.433 1.754 10 0 CDAERP CC(C)(C)[NH+]1CCC(NC(=O)[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000085366312 179036986 /nfs/dbraw/zinc/03/69/86/179036986.db2.gz BMPPNYPFOHTTPO-UONOGXRCSA-N 2 0 281.444 1.883 10 0 CDAERP CC(C)CC[NH+]1CCN(C(=O)[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000085369270 179039307 /nfs/dbraw/zinc/03/93/07/179039307.db2.gz KKFIIGGQDSAVOF-HUUCEWRRSA-N 2 0 281.444 1.694 10 0 CDAERP CC(C)[C@@H](CNC(=O)[C@H]1CCC[C@@H]1[NH3+])[NH+]1CCCC1 ZINC000085371112 179041206 /nfs/dbraw/zinc/04/12/06/179041206.db2.gz FFOPROCXMCJGLT-MELADBBJSA-N 2 0 267.417 1.350 10 0 CDAERP C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CCC[C@H]2[NH3+])cc1 ZINC000085365685 179036609 /nfs/dbraw/zinc/03/66/09/179036609.db2.gz DPNNVVXVABNMJT-LSDHHAIUSA-N 2 0 291.395 1.693 10 0 CDAERP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C1 ZINC000085637192 179109689 /nfs/dbraw/zinc/10/96/89/179109689.db2.gz GJGISWZMLABEMJ-FQUUOJAGSA-N 2 0 252.402 1.731 10 0 CDAERP CCN(CCC[NH+](CC)CC)C(=O)[C@]1(C)CCC[NH2+]1 ZINC000230713059 346556308 /nfs/dbraw/zinc/55/63/08/346556308.db2.gz ASWAVWOOPHHPJW-HNNXBMFYSA-N 2 0 269.433 1.709 10 0 CDAERP CC(C)n1cnnc1C1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC000065287582 362812726 /nfs/dbraw/zinc/81/27/26/362812726.db2.gz UWJLRKACDAOTEH-UHFFFAOYSA-N 2 0 277.416 1.790 10 0 CDAERP CN(C(=O)N[C@H]1CC12CC[NH2+]CC2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000612992337 347357735 /nfs/dbraw/zinc/35/77/35/347357735.db2.gz DAUMRHCVMUZUSB-PIGZVRMJSA-N 2 0 292.427 1.053 10 0 CDAERP COC[C@@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)OC ZINC000659842521 412536856 /nfs/dbraw/zinc/53/68/56/412536856.db2.gz BESFASNOXMFHHI-OAHLLOKOSA-N 2 0 270.417 1.456 10 0 CDAERP CC[C@H](C)[NH+]1CCN([C@](CC)(C[NH3+])C2CC2)CC1 ZINC000086120668 179234643 /nfs/dbraw/zinc/23/46/43/179234643.db2.gz XBVZNPMKIQVRCM-DZGCQCFKSA-N 2 0 253.434 1.920 10 0 CDAERP C[NH+](C)CCCN1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC000086127433 179235899 /nfs/dbraw/zinc/23/58/99/179235899.db2.gz RVVMOICPHXXYED-MRXNPFEDSA-N 2 0 261.413 1.455 10 0 CDAERP CC[C@@H]1C[NH2+][C@@H](C)CN1C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000086174179 179245589 /nfs/dbraw/zinc/24/55/89/179245589.db2.gz VPEOXEMICXYOCH-RRFJBIMHSA-N 2 0 253.434 1.789 10 0 CDAERP C[C@H]1C[NH2+][C@](C)(C2CC2)CN1C1CC[NH+](C)CC1 ZINC000086217806 179249734 /nfs/dbraw/zinc/24/97/34/179249734.db2.gz OPLFHUNWFKOMDC-WFASDCNBSA-N 2 0 251.418 1.543 10 0 CDAERP C[C@@H](Cc1cnn(C)c1)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623541003 347622771 /nfs/dbraw/zinc/62/27/71/347622771.db2.gz QBDBQMAFDKCWOA-JSGCOSHPSA-N 2 0 264.417 1.814 10 0 CDAERP CON1CCC([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623553351 347629307 /nfs/dbraw/zinc/62/93/07/347629307.db2.gz QOSHVRDIKTVQGQ-ZDUSSCGKSA-N 2 0 255.406 1.475 10 0 CDAERP COC[C@H](CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)OC ZINC000623563402 347634591 /nfs/dbraw/zinc/63/45/91/347634591.db2.gz XIRIJCYXHDXVQK-OLZOCXBDSA-N 2 0 258.406 1.500 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+][C@H](CO)CC(F)F)CC1(C)C ZINC000623507435 347608607 /nfs/dbraw/zinc/60/86/07/347608607.db2.gz JLSDCCMLMKHYDF-ZJUUUORDSA-N 2 0 250.333 1.465 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CCCC[C@H]2CN2CCOCC2)CC[NH2+]1 ZINC000414690415 365919667 /nfs/dbraw/zinc/91/96/67/365919667.db2.gz HWVOXOMRUQUIOI-ZACQAIPSSA-N 2 0 295.471 1.561 10 0 CDAERP [NH3+]C/C=C/CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000641862806 365948344 /nfs/dbraw/zinc/94/83/44/365948344.db2.gz SEQZPHOIOSKLDA-HSWBROFVSA-N 2 0 280.416 1.161 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CCC3(C2)CC[NH+](C)CC3)C1 ZINC000614958966 348285957 /nfs/dbraw/zinc/28/59/57/348285957.db2.gz OXOAXOWASQCXLV-AWEZNQCLSA-N 2 0 279.428 1.273 10 0 CDAERP C(NC1=[NH+]CCCN1)[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000068041921 349045332 /nfs/dbraw/zinc/04/53/32/349045332.db2.gz ZLGRRKBVPFHUMR-HNNXBMFYSA-N 2 0 278.444 1.970 10 0 CDAERP CC[C@H]1CCCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000068299084 349061075 /nfs/dbraw/zinc/06/10/75/349061075.db2.gz JCVLZDUEIMXDGE-HNNXBMFYSA-N 2 0 293.455 1.994 10 0 CDAERP C[C@H]([NH2+]CCOCCC[NH3+])c1ccc(F)cc1N(C)C ZINC000629535944 362950200 /nfs/dbraw/zinc/95/02/00/362950200.db2.gz FMGIKNDEHKFIQI-LBPRGKRZSA-N 2 0 283.391 1.908 10 0 CDAERP CC[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)nc2)C[C@H](C)[NH2+]1 ZINC000620898014 350368725 /nfs/dbraw/zinc/36/87/25/350368725.db2.gz KGZCCWIGANIHIA-GXTWGEPZSA-N 2 0 290.411 1.356 10 0 CDAERP CC[C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@H](C)[NH2+]1 ZINC000620903317 350373642 /nfs/dbraw/zinc/37/36/42/350373642.db2.gz MLJBLQRUMWFLCF-SOUVJXGZSA-N 2 0 281.444 1.850 10 0 CDAERP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cncc(Cl)c1 ZINC000621271093 350515510 /nfs/dbraw/zinc/51/55/10/350515510.db2.gz WTWBIFJOZHKMCA-UHFFFAOYSA-N 2 0 296.846 1.804 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+]Cc2oc(C)nc2C)CC1 ZINC000628232603 362962836 /nfs/dbraw/zinc/96/28/36/362962836.db2.gz FSOOFHPEGSAVDG-UHFFFAOYSA-N 2 0 280.416 1.409 10 0 CDAERP Cc1noc([C@H]2OCC[C@H]2[NH2+][C@H](C)CCCC[NH3+])n1 ZINC000629545781 362970479 /nfs/dbraw/zinc/97/04/79/362970479.db2.gz PORFKQLWHAKAFI-JLLWLGSASA-N 2 0 268.361 1.315 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000333303334 362970478 /nfs/dbraw/zinc/97/04/78/362970478.db2.gz JEMVQBOMNKWZJQ-KFWWJZLASA-N 2 0 296.459 1.404 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000414704279 366000420 /nfs/dbraw/zinc/00/04/20/366000420.db2.gz MTLJZVBIYBUDEV-RDBSUJKOSA-N 2 0 267.417 1.304 10 0 CDAERP CO[C@H]1C[C@@H](C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)C1 ZINC000629553658 362981474 /nfs/dbraw/zinc/98/14/74/362981474.db2.gz CMACZISZXJMCSU-QKCSRTOESA-N 2 0 263.385 1.924 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCCCO ZINC000487163567 366014301 /nfs/dbraw/zinc/01/43/01/366014301.db2.gz AVKCBQUXCDYDKK-UHFFFAOYSA-N 2 0 260.341 1.438 10 0 CDAERP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[C@H]1CCCCO1 ZINC000623921415 351331416 /nfs/dbraw/zinc/33/14/16/351331416.db2.gz WPHRFVUIPAVDEE-PQEBFOHHSA-N 2 0 296.455 1.911 10 0 CDAERP C[NH2+]CCOCCN(C)Cc1nccn1CC(F)(F)F ZINC000629571665 363025522 /nfs/dbraw/zinc/02/55/22/363025522.db2.gz ZUTXHCWVJHPQBK-UHFFFAOYSA-N 2 0 294.321 1.113 10 0 CDAERP Cc1noc([C@@H]2OCC[C@@H]2[NH2+]CC[C@H]2CCC[NH2+]C2)n1 ZINC000629590431 363059545 /nfs/dbraw/zinc/05/95/45/363059545.db2.gz ZRZVZRDQFBDEAL-FRRDWIJNSA-N 2 0 280.372 1.187 10 0 CDAERP CO[C@H](C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1)C1CCC1 ZINC000629591187 363067893 /nfs/dbraw/zinc/06/78/93/363067893.db2.gz CICCDWHORQPGML-IAGOWNOFSA-N 2 0 296.455 1.892 10 0 CDAERP COCC[N@@H+](Cc1ccnn1C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414735623 366044073 /nfs/dbraw/zinc/04/40/73/366044073.db2.gz FXFXJSSOQCEWPT-ZIAGYGMSSA-N 2 0 280.416 1.257 10 0 CDAERP C[NH+](C)[C@@H]1CCCN(C(=O)COC2CCC([NH3+])CC2)CC1 ZINC000569808806 363093480 /nfs/dbraw/zinc/09/34/80/363093480.db2.gz NPIBBUJADZQSQF-SHARSMKWSA-N 2 0 297.443 1.216 10 0 CDAERP [NH3+]C[C@H]1c2ccccc2CCN1CC1=CCCOC1 ZINC000629650397 363250656 /nfs/dbraw/zinc/25/06/56/363250656.db2.gz UFRZJGOPNSPJRL-INIZCTEOSA-N 2 0 258.365 1.891 10 0 CDAERP CN(C[C@@H](O)C[NH2+]CC(C)(C)[C@@H]1CCCCO1)C1CC1 ZINC000644589594 366220536 /nfs/dbraw/zinc/22/05/36/366220536.db2.gz DWIDARUISSTZFB-GJZGRUSLSA-N 2 0 284.444 1.626 10 0 CDAERP C[N@@H+]1CC[C@@H](NC(=O)N2CC[NH2+]CC2)[C@H]1c1ccccc1 ZINC000417931775 283049139 /nfs/dbraw/zinc/04/91/39/283049139.db2.gz CMVOYNBEWZCBFT-HUUCEWRRSA-N 2 0 288.395 1.047 10 0 CDAERP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1cccc(-n2ccnn2)c1 ZINC000570199177 363424348 /nfs/dbraw/zinc/42/43/48/363424348.db2.gz OVANWLYAJFJKAR-WWGRRREGSA-N 2 0 285.395 1.916 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000572640010 363436003 /nfs/dbraw/zinc/43/60/03/363436003.db2.gz PNKWVYJHNYBEBC-MCIONIFRSA-N 2 0 267.417 1.365 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000418549737 283060209 /nfs/dbraw/zinc/06/02/09/283060209.db2.gz AASUUKJGZRBLPX-KKUMJFAQSA-N 2 0 296.459 1.358 10 0 CDAERP CC1CC[NH+](CCCNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000232821109 535279856 /nfs/dbraw/zinc/27/98/56/535279856.db2.gz JYWDPUQUQHMNSF-GJZGRUSLSA-N 2 0 281.444 1.613 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)CCOC2)[C@@H]2CCC[C@H]21 ZINC000353534703 283139037 /nfs/dbraw/zinc/13/90/37/283139037.db2.gz ZAQJUGKMOYBSGP-XQLPTFJDSA-N 2 0 252.402 1.875 10 0 CDAERP Cn1nc2c(c1C[NH2+]CC1=CC[N@H+](C)CC1)CCCC2 ZINC000631107452 363464009 /nfs/dbraw/zinc/46/40/09/363464009.db2.gz ATYTUWLKKWWKMW-UHFFFAOYSA-N 2 0 274.412 1.650 10 0 CDAERP C[C@@H]([NH2+]Cc1ccc(CC[NH+](C)C)cc1)[C@H](C)O ZINC000644629850 366265550 /nfs/dbraw/zinc/26/55/50/366265550.db2.gz RSTDSOYMJATDEU-OLZOCXBDSA-N 2 0 250.386 1.650 10 0 CDAERP CC(C)[NH+]1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000211960580 356581830 /nfs/dbraw/zinc/58/18/30/356581830.db2.gz AEYFLUBCUCTFKO-UHFFFAOYSA-N 2 0 273.424 1.858 10 0 CDAERP C[C@@H]1C[C@@H](N(C)c2ncnc3[nH]ccc32)CC[N@@H+]1C ZINC000266189591 363510710 /nfs/dbraw/zinc/51/07/10/363510710.db2.gz BFHDZGYHPGDNTL-MNOVXSKESA-N 2 0 259.357 1.877 10 0 CDAERP C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000564822737 357239473 /nfs/dbraw/zinc/23/94/73/357239473.db2.gz WIVYMDPRPXGFFB-IMJJTQAJSA-N 2 0 287.407 1.200 10 0 CDAERP C[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)CC[C@H]1CCCC[NH+]1C)CC2 ZINC000354333225 283261371 /nfs/dbraw/zinc/26/13/71/283261371.db2.gz TVQGMXPZNYOWMK-OAGGEKHMSA-N 2 0 293.455 1.946 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH2+]CC2CC2)[C@H](C)C1 ZINC000262661949 357618521 /nfs/dbraw/zinc/61/85/21/357618521.db2.gz GPFYTTOTLAGESK-OCCSQVGLSA-N 2 0 267.417 1.175 10 0 CDAERP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@H](C)CO)C1 ZINC000678045109 538880619 /nfs/dbraw/zinc/88/06/19/538880619.db2.gz XROQIJIKOKXKCD-KBPBESRZSA-N 2 0 258.406 1.048 10 0 CDAERP C[C@H](C[C@@H]1CCC[NH2+]1)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733812 358072641 /nfs/dbraw/zinc/07/26/41/358072641.db2.gz OQYFRPLQLATWHH-RDBSUJKOSA-N 2 0 253.434 1.885 10 0 CDAERP CNC(=O)C[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccccc1 ZINC000423100667 283338947 /nfs/dbraw/zinc/33/89/47/283338947.db2.gz VKOHTSZFHITFPU-BCLQGDPASA-N 2 0 289.423 1.971 10 0 CDAERP C[C@@H]([NH3+])c1ccc(C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1 ZINC000634742674 358190763 /nfs/dbraw/zinc/19/07/63/358190763.db2.gz TVJIKYUTNYCTQL-JLZZUVOBSA-N 2 0 287.407 1.778 10 0 CDAERP CSCC[C@H]([NH3+])C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000573441544 358347271 /nfs/dbraw/zinc/34/72/71/358347271.db2.gz MKXFMJUUUHDOPO-GWCFXTLKSA-N 2 0 281.425 1.403 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)Cc2cnc3cnccn23)[C@H](C)C1 ZINC000093638801 358620069 /nfs/dbraw/zinc/62/00/69/358620069.db2.gz VGWKTWAUTGJKKS-HIFRSBDPSA-N 2 0 287.411 1.891 10 0 CDAERP CSc1nccnc1C[NH2+]C1CCC([NH3+])CC1 ZINC000095071902 358673086 /nfs/dbraw/zinc/67/30/86/358673086.db2.gz CHBDYIBJQMPYDQ-UHFFFAOYSA-N 2 0 252.387 1.558 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054291675 358710719 /nfs/dbraw/zinc/71/07/19/358710719.db2.gz RQTQWLSSCVPRAH-ZIAGYGMSSA-N 2 0 269.433 1.469 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1)[NH+]1CCC(C)CC1 ZINC000236724153 358802668 /nfs/dbraw/zinc/80/26/68/358802668.db2.gz QVXOMZLGAGCTKT-QLFBSQMISA-N 2 0 281.444 1.741 10 0 CDAERP C[C@H](CNC(=O)c1ccccc1CC[NH3+])C[NH+]1CCCC1 ZINC000070553020 358969409 /nfs/dbraw/zinc/96/94/09/358969409.db2.gz IWJBZGXDMDGWJF-CQSZACIVSA-N 2 0 289.423 1.650 10 0 CDAERP CC(C)C[C@@H](CNC(=O)c1ccccc1CC[NH3+])[NH+](C)C ZINC000070552630 358969610 /nfs/dbraw/zinc/96/96/10/358969610.db2.gz DXXNBTZGOSYVID-HNNXBMFYSA-N 2 0 291.439 1.894 10 0 CDAERP CC(C)[N@@H+](C)CC1CCN(C(=O)CC[C@H](C)[NH3+])CC1 ZINC000070317015 358936240 /nfs/dbraw/zinc/93/62/40/358936240.db2.gz CUWBJCVXKOIGTJ-ZDUSSCGKSA-N 2 0 269.433 1.693 10 0 CDAERP CN(C(=O)CC[C@@H]1CC[NH2+]C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000261908455 359085681 /nfs/dbraw/zinc/08/56/81/359085681.db2.gz WDCJDQUTEWMIHL-OCCSQVGLSA-N 2 0 265.401 1.071 10 0 CDAERP CCN1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)C1 ZINC000261929457 359093114 /nfs/dbraw/zinc/09/31/14/359093114.db2.gz LMPBPQARPNJYKW-JONQDZQNSA-N 2 0 281.444 1.217 10 0 CDAERP C[NH2+][C@@H]1CCCN(Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000261959234 359104900 /nfs/dbraw/zinc/10/49/00/359104900.db2.gz GZKNBXANNHDLSW-OAHLLOKOSA-N 2 0 285.395 1.760 10 0 CDAERP COCCN(Cc1scnc1C)C[C@@H]1CCC[NH2+]C1 ZINC000262048736 359130107 /nfs/dbraw/zinc/13/01/07/359130107.db2.gz ZIQPTQAUMBSXBA-CYBMUJFWSA-N 2 0 283.441 1.900 10 0 CDAERP COCCCC[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000117881264 359315275 /nfs/dbraw/zinc/31/52/75/359315275.db2.gz WKRRAMIMQNQZBH-INIZCTEOSA-N 2 0 283.460 1.515 10 0 CDAERP CCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]1CC[N@H+](C)C1 ZINC000636160035 363658517 /nfs/dbraw/zinc/65/85/17/363658517.db2.gz KBRICTHWZUYKCE-CYBMUJFWSA-N 2 0 269.433 1.517 10 0 CDAERP C[C@H]([NH2+]CCC[NH3+])[C@@H](c1ccccc1)N1CCOCC1 ZINC000423182702 299291419 /nfs/dbraw/zinc/29/14/19/299291419.db2.gz GWIPIVYQBAYTNV-HOCLYGCPSA-N 2 0 277.412 1.387 10 0 CDAERP CC(C)[N@@H+]1CCCN(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000335297796 359575041 /nfs/dbraw/zinc/57/50/41/359575041.db2.gz LEEMGGUFOOZGCJ-ZIAGYGMSSA-N 2 0 282.432 1.110 10 0 CDAERP CCC(CC)[C@H](CN[C@H](C1CC1)[C@@H]1C[NH2+]CCO1)[NH+](C)C ZINC000422961978 359721554 /nfs/dbraw/zinc/72/15/54/359721554.db2.gz DQHXUEUWMNDROK-YESZJQIVSA-N 2 0 297.487 1.709 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCc1ccccc1O ZINC000422972016 359729531 /nfs/dbraw/zinc/72/95/31/359729531.db2.gz KFTQLYPCLJBGSJ-ZDUSSCGKSA-N 2 0 252.358 1.278 10 0 CDAERP COc1cccc(CC[NH2+][C@H]2CCCCC[C@@H]2[NH3+])n1 ZINC000423006357 359736261 /nfs/dbraw/zinc/73/62/61/359736261.db2.gz OIRTZMZCTOLOLP-KBPBESRZSA-N 2 0 263.385 1.882 10 0 CDAERP CSCC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000348031233 359780785 /nfs/dbraw/zinc/78/07/85/359780785.db2.gz UJEBXEHOOZNTAJ-UHFFFAOYSA-N 2 0 275.462 1.081 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2C[NH3+])[C@@H]1n1cccn1 ZINC000643491450 359942288 /nfs/dbraw/zinc/94/22/88/359942288.db2.gz CCKZPJHYEXKLJO-QMIVOQANSA-N 2 0 278.400 1.319 10 0 CDAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000356985006 366673956 /nfs/dbraw/zinc/67/39/56/366673956.db2.gz IPIHVDMARZZTSU-CVEARBPZSA-N 2 0 289.423 1.370 10 0 CDAERP OC1(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CCC1 ZINC000348303080 359983136 /nfs/dbraw/zinc/98/31/36/359983136.db2.gz CONCAFGGLJHDGT-IRXDYDNUSA-N 2 0 286.419 1.965 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC[N@@H+]1C ZINC000262671054 360026953 /nfs/dbraw/zinc/02/69/53/360026953.db2.gz NYDDDLYXVSKFDN-SUJAAXHWSA-N 2 0 293.455 1.848 10 0 CDAERP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CC23CC3)CC[NH2+]CC1 ZINC000424375697 360027401 /nfs/dbraw/zinc/02/74/01/360027401.db2.gz NMQQVADZNMHEMT-NWDGAFQWSA-N 2 0 266.385 1.450 10 0 CDAERP Cn1ccnc1C[C@H]1CCCN(C(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000335369244 360110106 /nfs/dbraw/zinc/11/01/06/360110106.db2.gz VDAXLJJREVGYEV-CZUORRHYSA-N 2 0 290.411 1.201 10 0 CDAERP CC1(C)NC(=O)CC[C@H]1[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000335488201 360257014 /nfs/dbraw/zinc/25/70/14/360257014.db2.gz OYJRFRHXKWUHOQ-BXUZGUMPSA-N 2 0 253.390 1.023 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000335421964 360250837 /nfs/dbraw/zinc/25/08/37/360250837.db2.gz IOAXDZHEYJGWGD-DOTOQJQBSA-N 2 0 293.455 1.853 10 0 CDAERP C[C@H]1[C@H]([NH3+])CCN1C(=O)c1ccccc1C[NH+](C)C ZINC000335507902 360286818 /nfs/dbraw/zinc/28/68/18/360286818.db2.gz XJXAAFKGIRUXKD-SMDDNHRTSA-N 2 0 261.369 1.310 10 0 CDAERP O=C(NC1CC([NH+]2CCCCC2)C1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000335475265 360332679 /nfs/dbraw/zinc/33/26/79/360332679.db2.gz AFWZBJNWDUNGPH-MNSOJDNVSA-N 2 0 277.412 1.119 10 0 CDAERP CC1(C)CN(C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC[NH2+]1 ZINC000335526063 360312629 /nfs/dbraw/zinc/31/26/29/360312629.db2.gz SXKFMHOBTUQMOO-CHWSQXEVSA-N 2 0 267.417 1.495 10 0 CDAERP O=C(C[C@H]1CCC[NH2+]C1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000054308218 360451908 /nfs/dbraw/zinc/45/19/08/360451908.db2.gz XWXLBHDDRBDHAX-CABCVRRESA-N 2 0 279.428 1.463 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000515653154 360528815 /nfs/dbraw/zinc/52/88/15/360528815.db2.gz WJANFWKYBRWMKO-CWSCBRNRSA-N 2 0 267.348 1.110 10 0 CDAERP CC[N@@H+]1C[C@H](C)N(C(=O)[C@@H]2CCc3nc[nH]c3C2)C[C@@H]1C ZINC000613147636 360514995 /nfs/dbraw/zinc/51/49/95/360514995.db2.gz FDVNJSKEJNQEIC-RWMBFGLXSA-N 2 0 290.411 1.456 10 0 CDAERP CC[NH+](CC)CC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000628545216 360730287 /nfs/dbraw/zinc/73/02/87/360730287.db2.gz DOYZVLHZZLUWIW-OAHLLOKOSA-N 2 0 281.444 1.851 10 0 CDAERP C[NH+]1CCC(CC(=O)N[C@@H]2CCc3[nH]cnc3C2)CC1 ZINC000335726411 360853120 /nfs/dbraw/zinc/85/31/20/360853120.db2.gz ZJGWWNFJXRRTRC-GFCCVEGCSA-N 2 0 276.384 1.115 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)[C@@H]2CCC[C@@H]21 ZINC000566348032 370689952 /nfs/dbraw/zinc/68/99/52/370689952.db2.gz KHCBTMUYQFOTIJ-TUUVXOQKSA-N 2 0 291.439 1.460 10 0 CDAERP OCCN1CCCC[C@@H]1C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000631634331 363881632 /nfs/dbraw/zinc/88/16/32/363881632.db2.gz IUNFMGJAECMDOY-UGUYLWEFSA-N 2 0 294.439 1.380 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC000629958020 364263922 /nfs/dbraw/zinc/26/39/22/364263922.db2.gz YUFIIWSMJGQFOY-ZDUSSCGKSA-N 2 0 253.390 1.023 10 0 CDAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(C[NH3+])cc1 ZINC000248855500 364302226 /nfs/dbraw/zinc/30/22/26/364302226.db2.gz DAJGYHIEFQDBOL-CVEARBPZSA-N 2 0 287.407 1.844 10 0 CDAERP C[NH+](C)[C@@H]1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000170832529 364369328 /nfs/dbraw/zinc/36/93/28/364369328.db2.gz GPRPRTUWSVQWFA-CQSZACIVSA-N 2 0 296.459 1.595 10 0 CDAERP O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000249380374 296068947 /nfs/dbraw/zinc/06/89/47/296068947.db2.gz QFNDJEYJWNIYMZ-AJNGGQMLSA-N 2 0 277.412 1.214 10 0 CDAERP Cc1ncc(C[NH2+]C2CCC(C[NH+](C)C)CC2)n1C ZINC000569120818 294162109 /nfs/dbraw/zinc/16/21/09/294162109.db2.gz SEZHHSPIYBGPPK-UHFFFAOYSA-N 2 0 264.417 1.939 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000300418076 364898285 /nfs/dbraw/zinc/89/82/85/364898285.db2.gz FQZDQDXFSGUEIV-OCCSQVGLSA-N 2 0 255.406 1.365 10 0 CDAERP OC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC000169676866 365044285 /nfs/dbraw/zinc/04/42/85/365044285.db2.gz UMYNZFZEJVNNGG-OAHLLOKOSA-N 2 0 260.381 1.481 10 0 CDAERP CC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)[C@@H](C)CO ZINC000354428364 365470162 /nfs/dbraw/zinc/47/01/62/365470162.db2.gz KYSOZEHCCFDIAR-LBPRGKRZSA-N 2 0 274.368 1.778 10 0 CDAERP CC[C@H](Cn1cncn1)[NH2+]C1CC[NH+](CCCOC)CC1 ZINC000353413547 365523454 /nfs/dbraw/zinc/52/34/54/365523454.db2.gz QAOUIRGYMRGOOQ-CQSZACIVSA-N 2 0 295.431 1.147 10 0 CDAERP CC(C)(C)CC(=O)N1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000643056797 365508485 /nfs/dbraw/zinc/50/84/85/365508485.db2.gz KRGISTHEVKTRDQ-OAHLLOKOSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)[C@H]1C[C@H]1C ZINC000414122011 241074447 /nfs/dbraw/zinc/07/44/47/241074447.db2.gz NRKBZFGHGNPERI-KBXIAJHMSA-N 2 0 254.418 1.857 10 0 CDAERP C[C@H](CCC(F)(F)F)[NH2+]CCCN1CC[NH2+]CC1 ZINC000414777790 241382556 /nfs/dbraw/zinc/38/25/56/241382556.db2.gz HKOKTMANILGNPI-LLVKDONJSA-N 2 0 267.339 1.602 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627038636 367281198 /nfs/dbraw/zinc/28/11/98/367281198.db2.gz PMMQMIUMBNPDTR-HZSPNIEDSA-N 2 0 284.448 1.547 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)C[NH2+]1 ZINC000627020558 367244024 /nfs/dbraw/zinc/24/40/24/367244024.db2.gz IYONJRQEJZPYLR-VNHYZAJKSA-N 2 0 294.443 1.443 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627041892 367286056 /nfs/dbraw/zinc/28/60/56/367286056.db2.gz RWTWCXCHRDLAMF-KBPBESRZSA-N 2 0 296.459 1.691 10 0 CDAERP Cc1ccncc1C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000280396809 367379073 /nfs/dbraw/zinc/37/90/73/367379073.db2.gz VIHVTSXCGDGYFB-UHFFFAOYSA-N 2 0 276.428 1.506 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCC1(C)CC[NH2+]CC1)C2 ZINC000627083142 367393797 /nfs/dbraw/zinc/39/37/97/367393797.db2.gz DXZPJNLVMJYOEI-IYBDPMFKSA-N 2 0 294.443 1.017 10 0 CDAERP C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CN(C)CCN2C)CC1 ZINC000252218444 367373628 /nfs/dbraw/zinc/37/36/28/367373628.db2.gz YJIZFYVNGYSVOW-KFWWJZLASA-N 2 0 253.434 1.791 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000627079397 367375553 /nfs/dbraw/zinc/37/55/53/367375553.db2.gz HWMGVFTXLGKAME-TYNCELHUSA-N 2 0 290.411 1.646 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627112616 367463985 /nfs/dbraw/zinc/46/39/85/367463985.db2.gz ZFTQKTZNMKIJQD-SWLSCSKDSA-N 2 0 290.411 1.346 10 0 CDAERP CC1CC[NH+](CCCNC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000416869376 242198794 /nfs/dbraw/zinc/19/87/94/242198794.db2.gz GZQMPWDMGGXXLS-HUUCEWRRSA-N 2 0 296.459 1.406 10 0 CDAERP C[NH2+]CCCNC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000417201224 242356738 /nfs/dbraw/zinc/35/67/38/242356738.db2.gz VTBAUIIOTPJEFH-OAHLLOKOSA-N 2 0 292.427 1.068 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C[NH2+]1 ZINC000627196135 367683881 /nfs/dbraw/zinc/68/38/81/367683881.db2.gz HBPXULJHPQYEMQ-RBSFLKMASA-N 2 0 294.443 1.397 10 0 CDAERP C[C@H]1CC[C@@H](NC(=O)N2CCC(C[NH+](C)C)CC2)C[NH2+]1 ZINC000627197074 367687189 /nfs/dbraw/zinc/68/71/89/367687189.db2.gz YDHFIRJGKOLSBK-GXTWGEPZSA-N 2 0 282.432 1.110 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000627245841 367871184 /nfs/dbraw/zinc/87/11/84/367871184.db2.gz SSMSIOBWSSRLHJ-LJISPDSOSA-N 2 0 294.443 1.158 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CCC[NH+](C)C1 ZINC000360072511 368102193 /nfs/dbraw/zinc/10/21/93/368102193.db2.gz AHMFXWUBJJUKGK-LSDHHAIUSA-N 2 0 281.444 1.661 10 0 CDAERP C[C@@H]1CCN(C(=O)NCC[C@H]2CCC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000418354749 242975268 /nfs/dbraw/zinc/97/52/68/242975268.db2.gz WCWKSAWGXQQRAW-MCIONIFRSA-N 2 0 282.432 1.002 10 0 CDAERP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H](CC(=O)N(C)C)c1ccccc1 ZINC000360582330 368372702 /nfs/dbraw/zinc/37/27/02/368372702.db2.gz QANLMJUUWIQHHE-KBMXLJTQSA-N 2 0 289.423 1.746 10 0 CDAERP CCCC[C@H](C[NH3+])NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000418441833 243082454 /nfs/dbraw/zinc/08/24/54/243082454.db2.gz IXVOPJXGAGRWAB-MGPQQGTHSA-N 2 0 284.448 1.628 10 0 CDAERP CC[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)[NH+](C)C ZINC000360971779 368579069 /nfs/dbraw/zinc/57/90/69/368579069.db2.gz XACKWQSDQTUQQQ-OLZOCXBDSA-N 2 0 253.390 1.022 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](CCO)C1CC1 ZINC000542464721 368770808 /nfs/dbraw/zinc/77/08/08/368770808.db2.gz GCUFCROURVBGTN-UHFFFAOYSA-N 2 0 272.352 1.532 10 0 CDAERP Cc1noc(CCC[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)n1 ZINC000420394445 244195128 /nfs/dbraw/zinc/19/51/28/244195128.db2.gz KPFORTHXWPXKSB-KBPBESRZSA-N 2 0 278.400 1.775 10 0 CDAERP CC(C)N(C(=O)CN1CC[C@@]2(CC[N@H+](C)C2)C1)C(C)C ZINC000367846524 369266700 /nfs/dbraw/zinc/26/67/00/369266700.db2.gz MRCNPLXBOJVVTN-MRXNPFEDSA-N 2 0 281.444 1.659 10 0 CDAERP [NH3+][C@H](Cc1cn(CC[NH+]2CCCC2)nn1)Cc1ccccc1 ZINC000630618120 369443100 /nfs/dbraw/zinc/44/31/00/369443100.db2.gz NXJKAYQXMFOKRK-INIZCTEOSA-N 2 0 299.422 1.486 10 0 CDAERP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H]2CCCC(C)(C)C2)CC1 ZINC000567345761 370959919 /nfs/dbraw/zinc/95/99/19/370959919.db2.gz SIXYJTZTDZAABR-JKSUJKDBSA-N 2 0 297.487 1.401 10 0 CDAERP Cn1ccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)n1 ZINC000340293425 369483945 /nfs/dbraw/zinc/48/39/45/369483945.db2.gz XVHIDYZRIZFVRI-UHFFFAOYSA-N 2 0 264.417 1.974 10 0 CDAERP c1cnn(C2CC([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)c1 ZINC000638376440 369568012 /nfs/dbraw/zinc/56/80/12/369568012.db2.gz KOPKKVMSBJDTAD-LQULJDIASA-N 2 0 260.385 1.803 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000249364138 370142094 /nfs/dbraw/zinc/14/20/94/370142094.db2.gz OCXUBJWHJUPFOM-DLBZAZTESA-N 2 0 295.471 1.657 10 0 CDAERP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000252411983 370204101 /nfs/dbraw/zinc/20/41/01/370204101.db2.gz NOGDUKMXDVLFRZ-ARKGTOAJSA-N 2 0 291.439 1.650 10 0 CDAERP C[NH2+]CC1CCN(C(=O)c2ccccc2CC[NH3+])CC1 ZINC000565146861 370359426 /nfs/dbraw/zinc/35/94/26/370359426.db2.gz GASBLJRRUMXTDV-UHFFFAOYSA-N 2 0 275.396 1.259 10 0 CDAERP C[NH+](C)C[C@H]1CCN(C(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000418288127 370637472 /nfs/dbraw/zinc/63/74/72/370637472.db2.gz VMHKJYHDRRJESQ-CQSZACIVSA-N 2 0 296.459 1.631 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCN[C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422888136 245373913 /nfs/dbraw/zinc/37/39/13/245373913.db2.gz MEFPOCULMRGASW-WTTBNOFXSA-N 2 0 295.471 1.606 10 0 CDAERP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000575060971 371722039 /nfs/dbraw/zinc/72/20/39/371722039.db2.gz SWHCLAOVQVEMCZ-CZUORRHYSA-N 2 0 287.407 1.461 10 0 CDAERP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000578543158 372501303 /nfs/dbraw/zinc/50/13/03/372501303.db2.gz XZVNZEPKIMRKAF-MFOWVQHXSA-N 2 0 281.444 1.741 10 0 CDAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C[NH+](C)C(C)C ZINC000175012880 372639245 /nfs/dbraw/zinc/63/92/45/372639245.db2.gz ULHYPAYWMFUUCS-ZIAGYGMSSA-N 2 0 267.417 1.412 10 0 CDAERP CC(C)OCC[C@H](O)C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000581007149 372783854 /nfs/dbraw/zinc/78/38/54/372783854.db2.gz HZFPWPBXHFXTMA-GPANFISMSA-N 2 0 284.444 1.769 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@H](C3CCC3)C2)CC[NH2+]1 ZINC000415125915 372844759 /nfs/dbraw/zinc/84/47/59/372844759.db2.gz QHHIJSFUGGDKAI-NFAWXSAZSA-N 2 0 252.402 1.875 10 0 CDAERP [NH3+]CC1(CC(=O)N2CCC3(CC[NH2+]3)CC2)CCCCC1 ZINC000333282385 205182385 /nfs/dbraw/zinc/18/23/85/205182385.db2.gz MQZGNGHOWSZJBZ-UHFFFAOYSA-N 2 0 279.428 1.640 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000581257955 372904498 /nfs/dbraw/zinc/90/44/98/372904498.db2.gz FVDGARJFPUXHBL-UHFFFAOYSA-N 2 0 253.390 1.058 10 0 CDAERP CN(C(=O)C1([NH3+])CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381821701 372999736 /nfs/dbraw/zinc/99/97/36/372999736.db2.gz FRCKUXUSGSHKGL-AWEZNQCLSA-N 2 0 273.380 1.211 10 0 CDAERP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC([NH2+]C)CC1 ZINC000581942414 373384752 /nfs/dbraw/zinc/38/47/52/373384752.db2.gz QSBSYDXAWXZGCL-GFCCVEGCSA-N 2 0 255.406 1.221 10 0 CDAERP C[C@@H]1OCC[C@@H]1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000631822720 373703987 /nfs/dbraw/zinc/70/39/87/373703987.db2.gz MGDOBSJLXBCHJO-LJISPDSOSA-N 2 0 252.402 1.875 10 0 CDAERP [NH3+]C1CCC([NH2+][C@H]2CC(=O)N(c3ccccc3F)C2)CC1 ZINC000333881914 205797075 /nfs/dbraw/zinc/79/70/75/205797075.db2.gz WIPAKQGUTDRGHQ-BPCQOVAHSA-N 2 0 291.370 1.791 10 0 CDAERP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)C[C@@H]1C ZINC000418605690 374422019 /nfs/dbraw/zinc/42/20/19/374422019.db2.gz YXMIDPVXABQMCY-ZOBORPQBSA-N 2 0 282.432 1.109 10 0 CDAERP C[C@H](CCC[NH3+])NC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000418696782 374481938 /nfs/dbraw/zinc/48/19/38/374481938.db2.gz FFBSNWKFJMGQQN-CQSZACIVSA-N 2 0 292.427 1.327 10 0 CDAERP CC1(C)C[C@]1(C[NH3+])[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000669377238 541965121 /nfs/dbraw/zinc/96/51/21/541965121.db2.gz KSBMHCIEQVONDQ-SJORKVTESA-N 2 0 274.408 1.998 10 0 CDAERP CC(C)[NH+]1CCC([NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)CC1 ZINC000342815017 374602358 /nfs/dbraw/zinc/60/23/58/374602358.db2.gz ONSQKUOGJOZEDC-HUUCEWRRSA-N 2 0 286.460 1.607 10 0 CDAERP CN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CCC[N@H+](C)C1 ZINC000334310121 374873536 /nfs/dbraw/zinc/87/35/36/374873536.db2.gz NXPBYCMFVNLQRN-CQSZACIVSA-N 2 0 267.417 1.271 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000426985458 247083688 /nfs/dbraw/zinc/08/36/88/247083688.db2.gz FSXVNHNQXYZROO-XUJLQICISA-N 2 0 293.455 1.850 10 0 CDAERP C[C@@H]1C[NH+]=C(N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)N1 ZINC000306497572 375761319 /nfs/dbraw/zinc/76/13/19/375761319.db2.gz BGXVUMZVFMSCKH-LSDHHAIUSA-N 2 0 286.423 1.788 10 0 CDAERP Cc1cnc([C@H](C)[N@H+](C)CCCN(C)CC[NH+](C)C)cn1 ZINC000428995878 247398295 /nfs/dbraw/zinc/39/82/95/247398295.db2.gz QYDRUNUKWBGWTH-HNNXBMFYSA-N 2 0 293.459 1.661 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000417390886 376317268 /nfs/dbraw/zinc/31/72/68/376317268.db2.gz KONYWUSZUGKDHU-UKRRQHHQSA-N 2 0 296.459 1.548 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000638976346 376325055 /nfs/dbraw/zinc/32/50/55/376325055.db2.gz XGIOYKVTANQPOA-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)C2CCC([NH3+])CC2)CC1 ZINC000638975256 376325992 /nfs/dbraw/zinc/32/59/92/376325992.db2.gz HSKACNQMPJWEQQ-UHFFFAOYSA-N 2 0 281.444 1.837 10 0 CDAERP CC[NH2+][C@@H](C)C(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000638979345 376340934 /nfs/dbraw/zinc/34/09/34/376340934.db2.gz BJNBQELISASPKW-LBPRGKRZSA-N 2 0 255.406 1.317 10 0 CDAERP C[C@@H]1CC2(C[N@@H+]1Cc1nc(CC3CC3)no1)CC[NH2+]CC2 ZINC000631829354 376666950 /nfs/dbraw/zinc/66/69/50/376666950.db2.gz OMFBUBSLUFNWNC-GFCCVEGCSA-N 2 0 290.411 1.986 10 0 CDAERP [NH3+]CCC1CC[NH+]([C@@H]2CCN(C3CCC3)C2=O)CC1 ZINC000631829494 376668062 /nfs/dbraw/zinc/66/80/62/376668062.db2.gz RQUXTYXKFCIKQI-CQSZACIVSA-N 2 0 265.401 1.201 10 0 CDAERP CC(C)(CC[NH+]1CCC([NH2+]CCO)CC1)C1CC1 ZINC000631862526 376742815 /nfs/dbraw/zinc/74/28/15/376742815.db2.gz QOKIFTWSUYIKSZ-UHFFFAOYSA-N 2 0 254.418 1.859 10 0 CDAERP CNC(=O)c1ccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631888051 376782537 /nfs/dbraw/zinc/78/25/37/376782537.db2.gz SQWIFXPJLDGAEY-JKSUJKDBSA-N 2 0 287.407 1.620 10 0 CDAERP Cc1cccc(NC[C@H]2CC[N@@H+]([C@H]3CCN(C)C3=O)C2)[nH+]1 ZINC000247559197 377150763 /nfs/dbraw/zinc/15/07/63/377150763.db2.gz UOOCBDLDWSIYNK-KGLIPLIRSA-N 2 0 288.395 1.355 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000417445235 377155049 /nfs/dbraw/zinc/15/50/49/377155049.db2.gz GEQFXHUJZYMAOW-MJBXVCDLSA-N 2 0 282.432 1.110 10 0 CDAERP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@H]3CCC=CO3)C2)CC1 ZINC000248749625 377322735 /nfs/dbraw/zinc/32/27/35/377322735.db2.gz BUCQEKUZUYHFQS-HZPDHXFCSA-N 2 0 279.428 1.391 10 0 CDAERP CCOCC[N@@H+]1CCN(c2cc[nH+]cc2C)C[C@H]1C ZINC000248673484 377303228 /nfs/dbraw/zinc/30/32/28/377303228.db2.gz VUIOCWKMQMUUHE-CQSZACIVSA-N 2 0 263.385 1.937 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC1CCC1 ZINC001662224598 1172511118 /nfs/dbraw/zinc/51/11/18/1172511118.db2.gz GPFMDSWIGIWGGE-YRGRVCCFSA-N 2 0 267.417 1.221 10 0 CDAERP O=C(N[C@H]1CCC[NH2+]C1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000334925469 377692648 /nfs/dbraw/zinc/69/26/48/377692648.db2.gz TUQGCACIEKSCAE-LSDHHAIUSA-N 2 0 294.443 1.398 10 0 CDAERP O=C(N[C@@H]1CC[NH2+]C1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000334932792 377696129 /nfs/dbraw/zinc/69/61/29/377696129.db2.gz YECJXMHRZSPPRE-KGLIPLIRSA-N 2 0 280.416 1.008 10 0 CDAERP C[C@@H](O)C[NH+]1CCC(C[NH2+]Cc2ccsc2)CC1 ZINC000069349952 378021990 /nfs/dbraw/zinc/02/19/90/378021990.db2.gz DPZWQQKJUIRLSO-GFCCVEGCSA-N 2 0 268.426 1.931 10 0 CDAERP CC[NH+](CC)C[C@@H]1CCN(C(=O)CC[C@H](C)[NH3+])C1 ZINC000193320322 378274830 /nfs/dbraw/zinc/27/48/30/378274830.db2.gz URMZIUPNQBBQAF-STQMWFEESA-N 2 0 255.406 1.304 10 0 CDAERP CC(C)CCC[NH2+][C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001662325931 1172531510 /nfs/dbraw/zinc/53/15/10/1172531510.db2.gz WIJNPQHQHIVBSM-CQSZACIVSA-N 2 0 283.460 1.859 10 0 CDAERP Cc1cc(CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)cc(C)n1 ZINC000334585450 379430925 /nfs/dbraw/zinc/43/09/25/379430925.db2.gz RZZUFTMCTJZRTR-HZMBPMFUSA-N 2 0 261.369 1.703 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000417006701 284800594 /nfs/dbraw/zinc/80/05/94/284800594.db2.gz KCEJSCDFSRQUPH-JHJVBQTASA-N 2 0 270.421 1.095 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000417009604 284800644 /nfs/dbraw/zinc/80/06/44/284800644.db2.gz NSPHISWZBLWVTC-MCIONIFRSA-N 2 0 282.432 1.110 10 0 CDAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cccnc3)cc2)C1 ZINC000657596092 412924637 /nfs/dbraw/zinc/92/46/37/412924637.db2.gz UNPBWVFFIKQWAC-SFHVURJKSA-N 2 0 297.402 1.938 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCCC[C@H]2CCC[NH2+]2)C1 ZINC000655969504 412983939 /nfs/dbraw/zinc/98/39/39/412983939.db2.gz JHUFVIUFEATPTJ-MCIONIFRSA-N 2 0 282.432 1.158 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@@H]2[NH2+]CCC2(C)C)cc1 ZINC000662425489 413004341 /nfs/dbraw/zinc/00/43/41/413004341.db2.gz DFNWEQINMKXEGE-RISCZKNCSA-N 2 0 275.396 1.711 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000335284789 285230620 /nfs/dbraw/zinc/23/06/20/285230620.db2.gz FZXOPHXRYGNVLD-ZBFHGGJFSA-N 2 0 294.443 1.256 10 0 CDAERP CCN1OC[C@H](N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C1=O ZINC000660256389 413019972 /nfs/dbraw/zinc/01/99/72/413019972.db2.gz LSKKMHCQBGBMJJ-IPYPFGDCSA-N 2 0 295.427 1.391 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@]1(C)CCCC[C@@H]1O ZINC000422824044 285373252 /nfs/dbraw/zinc/37/32/52/285373252.db2.gz MSJZDXHCHPECKB-MELADBBJSA-N 2 0 258.406 1.271 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000647058513 390383501 /nfs/dbraw/zinc/38/35/01/390383501.db2.gz NWNQQKPZQSYDFS-RWMBFGLXSA-N 2 0 271.380 1.067 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000335837727 285383608 /nfs/dbraw/zinc/38/36/08/285383608.db2.gz FJHSLDKTUMOFEC-HIFRSBDPSA-N 2 0 281.444 1.517 10 0 CDAERP C[N@@H+]1CC[C@]2(CC[NH+](CC[C@H]3CCCCO3)C2)C1 ZINC000336427232 390677237 /nfs/dbraw/zinc/67/72/37/390677237.db2.gz MKRWQQJXYVABAV-CABCVRRESA-N 2 0 252.402 1.973 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)C[NH+](C)C)[C@@H](C)C1 ZINC000358525336 285388695 /nfs/dbraw/zinc/38/86/95/285388695.db2.gz NVRBALSFKOKJMQ-IHRRRGAJSA-N 2 0 284.448 1.308 10 0 CDAERP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000648205663 390951756 /nfs/dbraw/zinc/95/17/56/390951756.db2.gz KWVISUKXKCVSNY-JALIKCBVSA-N 2 0 291.439 1.698 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000403647734 390952372 /nfs/dbraw/zinc/95/23/72/390952372.db2.gz IYXUHPIRDAGAPO-HZSPNIEDSA-N 2 0 252.402 1.469 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N(C)[C@H](C)C[NH3+])CC1 ZINC000417750739 391024570 /nfs/dbraw/zinc/02/45/70/391024570.db2.gz OCJWAAKMYBAJDE-GFCCVEGCSA-N 2 0 270.421 1.097 10 0 CDAERP C[NH+]1CCC(NC[C@H](n2cccn2)C(F)(F)F)CC1 ZINC000527747011 391099038 /nfs/dbraw/zinc/09/90/38/391099038.db2.gz XFQJIHUEACGULR-NSHDSACASA-N 2 0 276.306 1.670 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)NC[C@H]([NH3+])c2ccccc2)CC[N@@H+]1C ZINC000417759600 391048544 /nfs/dbraw/zinc/04/85/44/391048544.db2.gz WKFIAKBIKCWYFY-SNPRPXQTSA-N 2 0 290.411 1.468 10 0 CDAERP C1[C@H]2CC[C@@H]([NH2+][C@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C[C@@H]12 ZINC000647804754 391053241 /nfs/dbraw/zinc/05/32/41/391053241.db2.gz YFYWYQZJBCVDOA-ODICJLLRSA-N 2 0 264.413 1.922 10 0 CDAERP OC[C@H]1CCC[N@@H+]1CCCCNCc1cocn1 ZINC000192310911 391067716 /nfs/dbraw/zinc/06/77/16/391067716.db2.gz BPBUIQRLGZJVQY-CYBMUJFWSA-N 2 0 253.346 1.001 10 0 CDAERP [NH3+]CCCNC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000417817294 391483884 /nfs/dbraw/zinc/48/38/84/391483884.db2.gz DLSJXAIRFHEYIH-UHFFFAOYSA-N 2 0 268.405 1.041 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCC[NH2+]C1CCCCCC1 ZINC000418436720 391511515 /nfs/dbraw/zinc/51/15/15/391511515.db2.gz CLHZJQXCTQYVIG-VXGBXAGGSA-N 2 0 270.421 1.334 10 0 CDAERP C[C@@H](NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C(C)(C)C[NH+](C)C ZINC000417861173 391516099 /nfs/dbraw/zinc/51/60/99/391516099.db2.gz XJRCLOMBRAZQDA-MCIONIFRSA-N 2 0 296.459 1.499 10 0 CDAERP C[NH2+]CCCC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000417830652 391499460 /nfs/dbraw/zinc/49/94/60/391499460.db2.gz JRQXRBIDNAPFII-CQSZACIVSA-N 2 0 263.385 1.582 10 0 CDAERP C[NH2+]CCCC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000417830651 391499670 /nfs/dbraw/zinc/49/96/70/391499670.db2.gz JRQXRBIDNAPFII-AWEZNQCLSA-N 2 0 263.385 1.582 10 0 CDAERP C[C@@H](CNC(=O)NC[C@@H]([NH3+])c1ccccc1)[N@H+](C)C1CC1 ZINC000417539341 391646618 /nfs/dbraw/zinc/64/66/18/391646618.db2.gz DZCIGVPOUFEDNY-SWLSCSKDSA-N 2 0 290.411 1.468 10 0 CDAERP C[N@H+]1C[C@@H]2C[NH+]([C@H]3Cc4ccccc4[C@@H]3O)C[C@@H]2C1 ZINC000193648352 391672792 /nfs/dbraw/zinc/67/27/92/391672792.db2.gz OCQFACHZLMJXSJ-XRGAULLZSA-N 2 0 258.365 1.138 10 0 CDAERP C[C@@H](NC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)[C@H](C)[NH3+] ZINC000418114228 391739637 /nfs/dbraw/zinc/73/96/37/391739637.db2.gz LJKOKUPQWBMLFR-DMDPSCGWSA-N 2 0 268.405 1.038 10 0 CDAERP COc1cc(C[NH2+][C@@H](C)CCC[NH3+])cc2c1OCCO2 ZINC000415016875 391724858 /nfs/dbraw/zinc/72/48/58/391724858.db2.gz DJVCNXHEXTXFKD-NSHDSACASA-N 2 0 280.368 1.683 10 0 CDAERP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000415026755 391728494 /nfs/dbraw/zinc/72/84/94/391728494.db2.gz VEFQDNWGHOACRK-LBPRGKRZSA-N 2 0 259.357 1.484 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000193318147 391739362 /nfs/dbraw/zinc/73/93/62/391739362.db2.gz NZVDUQWHZVGQJC-KGLIPLIRSA-N 2 0 267.417 1.591 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000520374525 391788906 /nfs/dbraw/zinc/78/89/06/391788906.db2.gz AQLAWTRSOLLGOL-ZFWWWQNUSA-N 2 0 296.459 1.548 10 0 CDAERP C[C@@H](NC(=O)NCCCCC[NH+]1CCCC1)[C@H](C)[NH3+] ZINC000418218687 391818766 /nfs/dbraw/zinc/81/87/66/391818766.db2.gz OWEALOXMNUBMCI-QWHCGFSZSA-N 2 0 270.421 1.287 10 0 CDAERP CC(C)OCCC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104320 392012988 /nfs/dbraw/zinc/01/29/88/392012988.db2.gz JYDOILAUQOIJOU-UHFFFAOYSA-N 2 0 270.417 1.598 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000334929217 391980430 /nfs/dbraw/zinc/98/04/30/391980430.db2.gz GQCXUIJMEMPBBI-CHWSQXEVSA-N 2 0 267.417 1.352 10 0 CDAERP C[C@]1(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)CC[NH2+]C1 ZINC000261710969 392018638 /nfs/dbraw/zinc/01/86/38/392018638.db2.gz DNINQGWTTJHIEJ-KKUMJFAQSA-N 2 0 252.402 1.735 10 0 CDAERP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000261821484 392022846 /nfs/dbraw/zinc/02/28/46/392022846.db2.gz XZMCHPGKSZCKFN-LRDDRELGSA-N 2 0 289.354 1.410 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)[C@H]1[NH2+]CC1(C)C ZINC000649337481 392060766 /nfs/dbraw/zinc/06/07/66/392060766.db2.gz PJCODVIKFZAZTM-JHJVBQTASA-N 2 0 265.401 1.070 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCC[N@@H+]1CCCC[C@H]1C ZINC000422870396 392269105 /nfs/dbraw/zinc/26/91/05/392269105.db2.gz YSFYSTLYCFOEEJ-QPSCCSFWSA-N 2 0 269.433 1.203 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CC[C@@H]1CCO[C@@H](C)C1 ZINC000423036673 392290307 /nfs/dbraw/zinc/29/03/07/392290307.db2.gz UNNQGPRDPKWOTB-MJBXVCDLSA-N 2 0 258.406 1.535 10 0 CDAERP CC[NH+](CC)[C@H](C)CN[C@@H](C)c1c[nH+]ccc1N ZINC000423085455 392331750 /nfs/dbraw/zinc/33/17/50/392331750.db2.gz KQHVVZQAXMMAOF-NEPJUHHUSA-N 2 0 250.390 1.875 10 0 CDAERP C[C@H]([NH3+])C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000237401496 131027561 /nfs/dbraw/zinc/02/75/61/131027561.db2.gz MNZFENRNGBWCRO-NWDGAFQWSA-N 2 0 265.357 1.270 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000529356601 392357885 /nfs/dbraw/zinc/35/78/85/392357885.db2.gz FUYVVXHGJKZDOM-KGLIPLIRSA-N 2 0 294.443 1.397 10 0 CDAERP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cnccc1N ZINC000423173680 392412684 /nfs/dbraw/zinc/41/26/84/392412684.db2.gz ZQVFBEQYTNQWSK-STQMWFEESA-N 2 0 262.401 1.877 10 0 CDAERP C[C@@H](Cc1ccccc1)[NH+]1CCC(NCC[NH3+])CC1 ZINC000423189147 392429071 /nfs/dbraw/zinc/42/90/71/392429071.db2.gz QIWADDRQDMYCLE-AWEZNQCLSA-N 2 0 261.413 1.630 10 0 CDAERP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](C)C[C@H]2COCCN2)cc1 ZINC000423292915 392490183 /nfs/dbraw/zinc/49/01/83/392490183.db2.gz OYJJOXIYTLHETH-IOASZLSFSA-N 2 0 277.412 1.563 10 0 CDAERP C[C@H]1CCC[C@@H]([NH+]2CCC(NCCC[NH3+])CC2)C1 ZINC000437787202 392490371 /nfs/dbraw/zinc/49/03/71/392490371.db2.gz KHVCXXPNMHOKDH-DZGCQCFKSA-N 2 0 253.434 1.968 10 0 CDAERP CC[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)[C@H]1CCOC1 ZINC000423508012 392580269 /nfs/dbraw/zinc/58/02/69/392580269.db2.gz KIQJBJGNPGYOTM-ZGRYLRDCSA-N 2 0 295.471 1.608 10 0 CDAERP CCC[C@H](C(=O)NCC[N@H+](CC)CCC)[NH+](C)C ZINC000126973756 392599732 /nfs/dbraw/zinc/59/97/32/392599732.db2.gz LXGIVQOZEWBGFE-CYBMUJFWSA-N 2 0 257.422 1.565 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)CC[C@@H]2CC[NH2+]C2)cc1 ZINC000646806064 392838975 /nfs/dbraw/zinc/83/89/75/392838975.db2.gz YQQFUNRCFDOIIC-TZMCWYRMSA-N 2 0 275.396 1.712 10 0 CDAERP C[C@@H](CNC(=O)NCc1ccc2c[nH+]cn2c1)[NH+](C)C ZINC000459069605 392915749 /nfs/dbraw/zinc/91/57/49/392915749.db2.gz XLHHDYGELZHLJW-NSHDSACASA-N 2 0 275.356 1.084 10 0 CDAERP FCC1(CF)CC([NH2+]CCCC[NH+]2CCOCC2)C1 ZINC000657839406 413054631 /nfs/dbraw/zinc/05/46/31/413054631.db2.gz UNSSUZPSRMFBRA-UHFFFAOYSA-N 2 0 276.371 1.776 10 0 CDAERP C[C@@H]([NH2+]CCC(=O)NC(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC000521225879 392947228 /nfs/dbraw/zinc/94/72/28/392947228.db2.gz FPKWRDWIJRMAAT-NEPJUHHUSA-N 2 0 255.406 1.269 10 0 CDAERP Cc1nsc(C)c1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000521894139 393089732 /nfs/dbraw/zinc/08/97/32/393089732.db2.gz KBKKZIRIROGRSL-UHFFFAOYSA-N 2 0 296.484 1.829 10 0 CDAERP CC[C@@H]1[C@H](CO)CC[NH+]1CCC[N@H+]1CC[C@H](CO)[C@H]1CC ZINC000451248724 393176059 /nfs/dbraw/zinc/17/60/59/393176059.db2.gz BDRYCPIIQIAHMF-YYIAUSFCSA-N 2 0 298.471 1.562 10 0 CDAERP c1ccc2c(c1)OC[C@@H](C[NH2+][C@@H]1CCC[NH2+]CC1)O2 ZINC000128901973 285521164 /nfs/dbraw/zinc/52/11/64/285521164.db2.gz IMRMRYFCGYEPQP-CHWSQXEVSA-N 2 0 262.353 1.558 10 0 CDAERP C[NH+](C)C[C@@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)c1ccccc1 ZINC000649281394 393314648 /nfs/dbraw/zinc/31/46/48/393314648.db2.gz DQWOPQFJCWXHHX-HZSPNIEDSA-N 2 0 261.369 1.143 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@@H](O)COCc2ccccc2)C1 ZINC000656153013 413061106 /nfs/dbraw/zinc/06/11/06/413061106.db2.gz MBNCVIVEWLKUAD-IXDOHACOSA-N 2 0 292.423 1.494 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@H](O)CC2CCCC2)C1 ZINC000656153755 413061127 /nfs/dbraw/zinc/06/11/27/413061127.db2.gz MKKFQLRFVRIPBF-QLFBSQMISA-N 2 0 254.418 1.857 10 0 CDAERP [NH2+]=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)NC1CCCCC1 ZINC000252668396 140322406 /nfs/dbraw/zinc/32/24/06/140322406.db2.gz WGLHXXYITMZIJF-UONOGXRCSA-N 2 0 280.416 1.296 10 0 CDAERP CN(C)c1ncc(CN2CC[C@H]([NH3+])C(C)(C)C2)s1 ZINC000261639296 140367649 /nfs/dbraw/zinc/36/76/49/140367649.db2.gz GDVBUZZHDDMKEG-NSHDSACASA-N 2 0 268.430 1.768 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000261649516 140368599 /nfs/dbraw/zinc/36/85/99/140368599.db2.gz DILNNSILAFMJGG-AAVRWANBSA-N 2 0 267.417 1.350 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261670576 140373459 /nfs/dbraw/zinc/37/34/59/140373459.db2.gz GCFMKGQBFLDZBF-ZQDZILKHSA-N 2 0 281.444 1.883 10 0 CDAERP CC1(C)CN(C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC[C@@H]1[NH3+] ZINC000261698597 140376172 /nfs/dbraw/zinc/37/61/72/140376172.db2.gz BHWOZICHNRYKDP-MCIONIFRSA-N 2 0 281.444 1.870 10 0 CDAERP CC[NH+](CC)Cc1ccc(CNC2=[NH+]CCCN2)cc1 ZINC000261693678 140376401 /nfs/dbraw/zinc/37/64/01/140376401.db2.gz BQLISACXXHHQIN-UHFFFAOYSA-N 2 0 274.412 1.967 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)N(CC)[C@@H]1CC[NH+](CC)C1 ZINC000664096956 413078279 /nfs/dbraw/zinc/07/82/79/413078279.db2.gz WRQLXYXBUKVXQK-OAHLLOKOSA-N 2 0 298.475 1.844 10 0 CDAERP O=C(C[C@H]1[NH2+]Cc2ccccc21)NCC[N@H+]1CC=CCC1 ZINC000662547286 413114430 /nfs/dbraw/zinc/11/44/30/413114430.db2.gz XSWWOFBLFRLPFZ-MRXNPFEDSA-N 2 0 285.391 1.599 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662595214 413166164 /nfs/dbraw/zinc/16/61/64/413166164.db2.gz YNUACDPCODWAAU-NEPJUHHUSA-N 2 0 255.406 1.350 10 0 CDAERP CC[C@H](COC)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658067117 413166845 /nfs/dbraw/zinc/16/68/45/413166845.db2.gz JWMSFHNCAZINFR-OAHLLOKOSA-N 2 0 284.444 1.892 10 0 CDAERP COC1(C[C@@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)CCC1 ZINC000429541272 292124262 /nfs/dbraw/zinc/12/42/62/292124262.db2.gz VRKFGJJBHLHXBR-CABCVRRESA-N 2 0 283.460 1.560 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)NCC[NH+]1CCCCC1 ZINC000649491675 397769135 /nfs/dbraw/zinc/76/91/35/397769135.db2.gz YKKAXRBEKNCQCI-UHFFFAOYSA-N 2 0 298.475 1.749 10 0 CDAERP Cc1cnn(CC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000388612114 397790674 /nfs/dbraw/zinc/79/06/74/397790674.db2.gz CQFWGJUKRGSVGN-GJZGRUSLSA-N 2 0 262.401 1.656 10 0 CDAERP COCc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)o1 ZINC000382711672 397848799 /nfs/dbraw/zinc/84/87/99/397848799.db2.gz FFYNFSAZKPLNDQ-GDLCADMTSA-N 2 0 250.342 1.595 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)NC1CC[NH+](C)CC1 ZINC000650561587 398053538 /nfs/dbraw/zinc/05/35/38/398053538.db2.gz RWLNNSJXFIXUNK-UHFFFAOYSA-N 2 0 284.448 1.358 10 0 CDAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1(C[NH3+])CCCC1 ZINC000094459005 147089287 /nfs/dbraw/zinc/08/92/87/147089287.db2.gz XETVIEZMIWMHFY-QWHCGFSZSA-N 2 0 265.401 1.201 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000193320489 148621911 /nfs/dbraw/zinc/62/19/11/148621911.db2.gz VGEMIMBTCPDZEL-AWEZNQCLSA-N 2 0 297.443 1.217 10 0 CDAERP C[C@]1(C[NH+]2CCC(Cn3cccn3)CC2)CC[NH2+]C1 ZINC000262079540 149011802 /nfs/dbraw/zinc/01/18/02/149011802.db2.gz SWENHRQQDCZKLK-HNNXBMFYSA-N 2 0 262.401 1.595 10 0 CDAERP C[C@H]1C[C@H](N(C)C(=O)[C@H]2CCCC[NH2+]2)CC[N@@H+]1C ZINC000262661899 149091427 /nfs/dbraw/zinc/09/14/27/149091427.db2.gz GLOAGJCUJXZTHD-YNEHKIRRSA-N 2 0 253.390 1.070 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C[C@H](O)C[NH+](C)C1CC1 ZINC000312852507 149239711 /nfs/dbraw/zinc/23/97/11/149239711.db2.gz GKSJIOBBMBXFNI-FVQBIDKESA-N 2 0 281.444 1.000 10 0 CDAERP C[C@H](CC(=O)N1CCC2(CC[NH2+]C2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000334376295 149532959 /nfs/dbraw/zinc/53/29/59/149532959.db2.gz DYOMORKLBMTNNQ-HUUCEWRRSA-N 2 0 293.455 1.614 10 0 CDAERP C[C@H]1C[C@H](C[NH+]2CCC(c3c[nH]cn3)CC2)CC[NH2+]1 ZINC000334879256 150024732 /nfs/dbraw/zinc/02/47/32/150024732.db2.gz ATHXJSFRWCQDDM-QWHCGFSZSA-N 3 0 262.401 1.977 10 0 CDAERP CCc1noc(C)c1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000334997939 150166423 /nfs/dbraw/zinc/16/64/23/150166423.db2.gz JLTKGUKXWYVTOV-BETUJISGSA-N 2 0 263.385 1.977 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000335073912 150262455 /nfs/dbraw/zinc/26/24/55/150262455.db2.gz QJCODFQTAZKKQD-NWDGAFQWSA-N 2 0 253.390 1.104 10 0 CDAERP CC1(C)CN(C(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC[NH2+]1 ZINC000335526069 150740903 /nfs/dbraw/zinc/74/09/03/150740903.db2.gz SXKFMHOBTUQMOO-STQMWFEESA-N 2 0 267.417 1.495 10 0 CDAERP c1cn(-c2csc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)c2)cn1 ZINC000336079924 151251320 /nfs/dbraw/zinc/25/13/20/151251320.db2.gz BPCXGHPQYHPQHD-TXEJJXNPSA-N 2 0 274.393 1.585 10 0 CDAERP C[C@]1(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)CC[NH2+]C1 ZINC000336111764 151277500 /nfs/dbraw/zinc/27/75/00/151277500.db2.gz BMGOYJXUCZCUGR-HOCLYGCPSA-N 2 0 279.428 1.320 10 0 CDAERP [NH3+]C1(CNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)CCCCCC1 ZINC000336596748 151661383 /nfs/dbraw/zinc/66/13/83/151661383.db2.gz QNAUGIUDETXJCJ-JSGCOSHPSA-N 2 0 265.401 1.154 10 0 CDAERP CCO[C@@H]1C[C@@H]([NH2+]C2CCC([NH3+])CC2)C12CCOCC2 ZINC000333857887 286277378 /nfs/dbraw/zinc/27/73/78/286277378.db2.gz RJBWYTIKIMEKGP-NEXFUWMNSA-N 2 0 282.428 1.820 10 0 CDAERP CCC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C(C)C ZINC001664510579 1172863169 /nfs/dbraw/zinc/86/31/69/1172863169.db2.gz PQZJABJKURGFIW-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP COCC[N@@H+]1CC[C@H](NC2CC[NH+](C3CCC3)CC2)C1 ZINC000346172549 153083335 /nfs/dbraw/zinc/08/33/35/153083335.db2.gz JMAPGIRBPNAKBG-HNNXBMFYSA-N 2 0 281.444 1.314 10 0 CDAERP C[C@H](C[NH+](C)C)NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000346173251 153083568 /nfs/dbraw/zinc/08/35/68/153083568.db2.gz JAHAHYVTKJMWLX-CQSZACIVSA-N 2 0 289.423 1.962 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)CC[C@@H](C)O ZINC000346175246 153084359 /nfs/dbraw/zinc/08/43/59/153084359.db2.gz QQKZFBPIJLVBEW-GFCCVEGCSA-N 2 0 274.368 1.778 10 0 CDAERP C[C@H]1C[C@H](C[N@H+](C)CCCN2CC[NH+](C)CC2)CCO1 ZINC000349331301 154091365 /nfs/dbraw/zinc/09/13/65/154091365.db2.gz LFYKJUUYVYZWGN-JKSUJKDBSA-N 2 0 283.460 1.371 10 0 CDAERP CC[NH+](CC)CCCNC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000349805604 154223205 /nfs/dbraw/zinc/22/32/05/154223205.db2.gz YIUDBSJBFSNPSB-HNNXBMFYSA-N 2 0 296.459 1.596 10 0 CDAERP CC(C)[NH2+]CCC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000662687147 413316369 /nfs/dbraw/zinc/31/63/69/413316369.db2.gz URTIJMRQDMKLKK-HNNXBMFYSA-N 2 0 291.395 1.674 10 0 CDAERP [NH3+]Cc1ccc(OCc2cn([C@H]3CCC[NH2+]C3)nn2)cc1 ZINC000656468519 413328735 /nfs/dbraw/zinc/32/87/35/413328735.db2.gz ZEMAAXKPZQEKED-AWEZNQCLSA-N 2 0 287.367 1.240 10 0 CDAERP CCN(C)C[C@H](O)C[N@@H+]1CCc2ccccc2[C@H](C)C1 ZINC000404749171 413367917 /nfs/dbraw/zinc/36/79/17/413367917.db2.gz UXIQNRYDDACWTO-ZBFHGGJFSA-N 2 0 276.424 1.961 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000359606171 158307363 /nfs/dbraw/zinc/30/73/63/158307363.db2.gz VYRFMICAJLTKPB-LBPRGKRZSA-N 2 0 282.350 1.963 10 0 CDAERP C[NH+](C)CCCOc1ccc(NC(=O)CC2([NH3+])CC2)cc1 ZINC000662726377 413388608 /nfs/dbraw/zinc/38/86/08/413388608.db2.gz NNISBRLQFNYSOS-UHFFFAOYSA-N 2 0 291.395 1.837 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000662730875 413396189 /nfs/dbraw/zinc/39/61/89/413396189.db2.gz SWOLXZMZKWTROS-WBVHZDCISA-N 2 0 289.423 1.407 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)C2([NH2+]C3CC3)CCC2)CC[N@@H+]1C ZINC000662732206 413399900 /nfs/dbraw/zinc/39/99/00/413399900.db2.gz ORFSQYRDIKBSTP-DGCLKSJQSA-N 2 0 265.401 1.260 10 0 CDAERP CC[NH+](CC)CCCN1CCC[C@H](c2ccnc(N)n2)C1 ZINC000374577254 160297799 /nfs/dbraw/zinc/29/77/99/160297799.db2.gz DXNYVGWCVVDSMD-AWEZNQCLSA-N 2 0 291.443 1.800 10 0 CDAERP CSCC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000375060134 160341468 /nfs/dbraw/zinc/34/14/68/160341468.db2.gz WBWCVQPZQWNGCO-LLVKDONJSA-N 2 0 297.399 1.490 10 0 CDAERP C[C@H](NC(=O)C1([NH2+]C2CC2)CCC1)C(C)(C)C[NH+](C)C ZINC000662746871 413422621 /nfs/dbraw/zinc/42/26/21/413422621.db2.gz XYRGAQYYRJMHHX-LBPRGKRZSA-N 2 0 281.444 1.754 10 0 CDAERP C[C@H]1C[C@@H](NC(=O)c2cc(C(C)(C)[NH3+])no2)C[N@@H+]1C1CC1 ZINC000662754272 413431242 /nfs/dbraw/zinc/43/12/42/413431242.db2.gz IXGFDCZSEKYVDM-VHSXEESVSA-N 2 0 292.383 1.223 10 0 CDAERP CC(C)([NH3+])c1cc(C(=O)Nc2ccc(C[NH3+])cc2)on1 ZINC000662766691 413463621 /nfs/dbraw/zinc/46/36/21/413463621.db2.gz MLCGFQKBELGCJL-UHFFFAOYSA-N 2 0 274.324 1.579 10 0 CDAERP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)[C@@H]1C[C@H]1C ZINC000414125182 287027956 /nfs/dbraw/zinc/02/79/56/287027956.db2.gz CUZLWKZBSREXFR-MGPQQGTHSA-N 2 0 253.434 1.647 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000284454628 196059886 /nfs/dbraw/zinc/05/98/86/196059886.db2.gz VXYCDUSSEYXINP-LBPRGKRZSA-N 2 0 258.325 1.158 10 0 CDAERP CN([C@H](C[NH3+])Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000022211764 171373957 /nfs/dbraw/zinc/37/39/57/171373957.db2.gz YOLGSILSYRIZKA-INIZCTEOSA-N 2 0 261.413 1.582 10 0 CDAERP CC[NH+]1CCN([C@H](C[NH3+])c2ccc(F)cc2F)CC1 ZINC000022219503 171377355 /nfs/dbraw/zinc/37/73/55/171377355.db2.gz RPICFRAZJBJRIL-CQSZACIVSA-N 2 0 269.339 1.602 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000653176373 412115975 /nfs/dbraw/zinc/11/59/75/412115975.db2.gz RTRZBXKTORRRKA-HIFRSBDPSA-N 2 0 267.417 1.080 10 0 CDAERP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCCCC[C@@H]1[NH3+])C2 ZINC000653197778 412130807 /nfs/dbraw/zinc/13/08/07/412130807.db2.gz SJJCIXTTWNPJPM-IVSAIRAKSA-N 2 0 293.455 1.872 10 0 CDAERP C[C@@H]1CCCN(C(=O)COC2CCC([NH3+])CC2)[C@H]1CC[NH3+] ZINC000653241127 412159195 /nfs/dbraw/zinc/15/91/95/412159195.db2.gz YAUKMXOFWXVQPG-URGYJCLVSA-N 2 0 297.443 1.249 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])CC[NH2+]1 ZINC000653241140 412160210 /nfs/dbraw/zinc/16/02/10/412160210.db2.gz YEOOFMMAXHPCDA-XUXIUFHCSA-N 2 0 267.417 1.350 10 0 CDAERP C[NH+](C)C[C@@H](NC(=O)CC1([NH3+])CC1)c1ccc(Cl)cc1 ZINC000662791353 413509609 /nfs/dbraw/zinc/50/96/09/413509609.db2.gz KKPKFWAYOWSSMV-CYBMUJFWSA-N 2 0 295.814 1.940 10 0 CDAERP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654659766 413548389 /nfs/dbraw/zinc/54/83/89/413548389.db2.gz KCMCSAHDHOBUGN-KFWWJZLASA-N 2 0 296.459 1.310 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000656696857 413575938 /nfs/dbraw/zinc/57/59/38/413575938.db2.gz CZZHTZHNUIBAGM-OAGGEKHMSA-N 2 0 284.444 1.436 10 0 CDAERP C[C@@H]1C[C@H](C[NH2+][C@H]2Cc3ccccc3N(C)C2=O)CC[NH2+]1 ZINC000656787145 413666887 /nfs/dbraw/zinc/66/68/87/413666887.db2.gz DVVLGIYIBSNCEM-NFAWXSAZSA-N 2 0 287.407 1.552 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000659309818 413701723 /nfs/dbraw/zinc/70/17/23/413701723.db2.gz ONEMTZXFIRENLM-LBPRGKRZSA-N 2 0 295.358 1.162 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)NCC[NH+]2CCCC[C@@H]2C)C1 ZINC000660395808 413786496 /nfs/dbraw/zinc/78/64/96/413786496.db2.gz MCJHJLDIYOSEPH-GJZGRUSLSA-N 2 0 296.459 1.644 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000659479659 413867663 /nfs/dbraw/zinc/86/76/63/413867663.db2.gz AXDFKROJXIOJTI-LSDHHAIUSA-N 2 0 298.475 1.924 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000659436459 413820147 /nfs/dbraw/zinc/82/01/47/413820147.db2.gz LVRAYROGSRSQMW-BFHYXJOUSA-N 2 0 282.432 1.286 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659457667 413843000 /nfs/dbraw/zinc/84/30/00/413843000.db2.gz HVWQSQUWYNUJNR-HUUCEWRRSA-N 2 0 298.475 1.924 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407270407 413911805 /nfs/dbraw/zinc/91/18/05/413911805.db2.gz OYXNYAQEGREFQF-KGLIPLIRSA-N 2 0 267.417 1.365 10 0 CDAERP Cn1ncc(C2CCC2)c1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000665274711 414007863 /nfs/dbraw/zinc/00/78/63/414007863.db2.gz WWZMPYMOUMPDBA-OCCSQVGLSA-N 2 0 262.401 1.905 10 0 CDAERP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1 ZINC000665281257 414019516 /nfs/dbraw/zinc/01/95/16/414019516.db2.gz YOEKPXBDHMFVCG-SWLSCSKDSA-N 2 0 288.399 1.686 10 0 CDAERP C[NH2+]C[C@@H](C)NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659575669 413992603 /nfs/dbraw/zinc/99/26/03/413992603.db2.gz TUUFXFBYBZKMTO-BPLDGKMQSA-N 2 0 290.411 1.039 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000659620040 414028373 /nfs/dbraw/zinc/02/83/73/414028373.db2.gz YEYJXGHQVRWFJA-RBSFLKMASA-N 2 0 296.459 1.391 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000665299141 414045144 /nfs/dbraw/zinc/04/51/44/414045144.db2.gz HKCNXEHOPZYEQH-CVEARBPZSA-N 3 0 283.460 1.452 10 0 CDAERP COCCOCCC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C)C1 ZINC000037221546 173040311 /nfs/dbraw/zinc/04/03/11/173040311.db2.gz IUTLGPNGBPANDU-ZIAGYGMSSA-N 2 0 258.406 1.359 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)NCCC[NH+]1CCCC1 ZINC000663239413 414079649 /nfs/dbraw/zinc/07/96/49/414079649.db2.gz LELBPRZQZSULJK-UHFFFAOYSA-N 2 0 298.475 1.892 10 0 CDAERP CC(C)NC(=O)CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657304243 414144886 /nfs/dbraw/zinc/14/48/86/414144886.db2.gz VVJDBDSQWIIVIY-UHFFFAOYSA-N 2 0 287.367 1.272 10 0 CDAERP c1nc2n(c1C[NH2+][C@@H]1CCCN(c3ncccn3)C1)CCC2 ZINC000657315304 414163887 /nfs/dbraw/zinc/16/38/87/414163887.db2.gz KNMDFDYVBRUEFV-CYBMUJFWSA-N 2 0 298.394 1.378 10 0 CDAERP C[C@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)C1CCCCC1 ZINC000663370251 414189649 /nfs/dbraw/zinc/18/96/49/414189649.db2.gz OBOKIVGGTVQYOP-NVXWUHKLSA-N 2 0 297.487 1.401 10 0 CDAERP C[C@@H]1CCCN(Cc2nc3c(s2)C[NH2+]CC3)[C@H]1CC[NH3+] ZINC000663495803 414292565 /nfs/dbraw/zinc/29/25/65/414292565.db2.gz BBOXEFGEQLDKDX-YPMHNXCESA-N 2 0 294.468 1.738 10 0 CDAERP C[C@@]1(NC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC[NH2+]C1 ZINC000663588656 414362926 /nfs/dbraw/zinc/36/29/26/414362926.db2.gz MGMWLNDTLGTMRS-CQSZACIVSA-N 2 0 286.339 1.141 10 0 CDAERP CC[NH+](CC)C1CCN(C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000037827335 173784539 /nfs/dbraw/zinc/78/45/39/173784539.db2.gz KJRYZHCXARRPMR-ZDUSSCGKSA-N 2 0 267.417 1.319 10 0 CDAERP OC[C@@H](CCF)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657502659 414402170 /nfs/dbraw/zinc/40/21/70/414402170.db2.gz OAXQBCNXGVOLFU-LLVKDONJSA-N 2 0 264.304 1.077 10 0 CDAERP COCC[N@H+](CC(C)C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662252282 414588403 /nfs/dbraw/zinc/58/84/03/414588403.db2.gz OIYYLNIOSYAOJD-CYBMUJFWSA-N 2 0 256.390 1.112 10 0 CDAERP COc1ccccc1CC[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662255250 414590885 /nfs/dbraw/zinc/59/08/85/414590885.db2.gz BNRSOWNOFZJTGO-OAHLLOKOSA-N 2 0 290.407 1.691 10 0 CDAERP C(CC1CC[NH+](C[C@@H]2CNCCO2)CC1)C[NH+]1CCCC1 ZINC000662280180 414612623 /nfs/dbraw/zinc/61/26/23/414612623.db2.gz YGMSFIMXKJXBRH-KRWDZBQOSA-N 2 0 295.471 1.563 10 0 CDAERP Cc1cnn(CC[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000662295399 414619579 /nfs/dbraw/zinc/61/95/79/414619579.db2.gz ZWDPHKGZNYDVFP-INIZCTEOSA-N 2 0 276.428 1.903 10 0 CDAERP CCCN(C)CC(C)(C)[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC000662177572 414554475 /nfs/dbraw/zinc/55/44/75/414554475.db2.gz JPXMBHCWZLUFHA-CYBMUJFWSA-N 2 0 290.473 1.521 10 0 CDAERP C[NH+](C)CCC[C@@H]1C[N@H+](CC[C@@H]2CCCO2)CCO1 ZINC000662322942 414639647 /nfs/dbraw/zinc/63/96/47/414639647.db2.gz JRKJSBUDUGLVRB-LSDHHAIUSA-N 2 0 270.417 1.598 10 0 CDAERP [NH3+]C1(C(=O)N2CCC([NH+]3CCCC3)CC2)CCCCC1 ZINC000038101747 174117736 /nfs/dbraw/zinc/11/77/36/174117736.db2.gz SSDOQKGUUGVVOZ-UHFFFAOYSA-N 2 0 279.428 1.735 10 0 CDAERP CC[C@@H](CC[NH3+])[N@@H+]1CCCN(c2cc(C)ncn2)CC1 ZINC000040726894 174387478 /nfs/dbraw/zinc/38/74/78/174387478.db2.gz WOGPRVHTXLZKMX-AWEZNQCLSA-N 2 0 277.416 1.425 10 0 CDAERP C[C@]([NH3+])(C(=O)NCC[NH+]1CCCCCC1)C1CC1 ZINC000040768206 174398727 /nfs/dbraw/zinc/39/87/27/174398727.db2.gz SCDVRLKGEZQRCQ-CQSZACIVSA-N 2 0 253.390 1.106 10 0 CDAERP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(C)(C)[NH3+])o1 ZINC000040924132 174435204 /nfs/dbraw/zinc/43/52/04/174435204.db2.gz QGYGXEMJEJOQTD-UHFFFAOYSA-N 2 0 267.373 1.216 10 0 CDAERP C[C@@H]([NH3+])[C@@H](c1ccco1)N(C)C1CC[NH+](C)CC1 ZINC000043334449 175010570 /nfs/dbraw/zinc/01/05/70/175010570.db2.gz ZZTXJBFZUVDHKD-RISCZKNCSA-N 2 0 251.374 1.694 10 0 CDAERP CCC[NH+]1CCN([C@@H](c2ccccn2)[C@H](C)[NH3+])CC1 ZINC000043338832 175013065 /nfs/dbraw/zinc/01/30/65/175013065.db2.gz QQISLEFVYLISFR-DZGCQCFKSA-N 2 0 262.401 1.498 10 0 CDAERP CC(C)[NH+]1CCN([C@@H](c2cccnc2)[C@@H](C)[NH3+])CC1 ZINC000043346778 175017291 /nfs/dbraw/zinc/01/72/91/175017291.db2.gz FXQQKHGXPBTZBX-UKRRQHHQSA-N 2 0 262.401 1.496 10 0 CDAERP CCN(C(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C)C1CC[NH2+]CC1 ZINC000043559878 175065496 /nfs/dbraw/zinc/06/54/96/175065496.db2.gz SEUOTSIHVYXDMF-IHRRRGAJSA-N 2 0 281.444 1.848 10 0 CDAERP C[NH2+]CCC(=O)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000043605122 175078607 /nfs/dbraw/zinc/07/86/07/175078607.db2.gz PPJWPBDOEYQYNI-UHFFFAOYSA-N 2 0 281.425 1.392 10 0 CDAERP CCC[NH2+][C@H]1CCCC[C@@H]1N1CC[NH+](CC)CC1 ZINC000043806241 175108464 /nfs/dbraw/zinc/10/84/64/175108464.db2.gz FKQDTIZYJXCUDU-GJZGRUSLSA-N 2 0 253.434 1.935 10 0 CDAERP CCC[NH2+][C@@H](C)CC[N@H+](CCOC)[C@@H](C)COC ZINC000043976104 175133014 /nfs/dbraw/zinc/13/30/14/175133014.db2.gz FPEDVKCVRPUJPW-KBPBESRZSA-N 2 0 260.422 1.748 10 0 CDAERP CCC[NH+]1CCN([C@H](c2ccncc2)[C@@H](C)[NH3+])CC1 ZINC000044419053 175173613 /nfs/dbraw/zinc/17/36/13/175173613.db2.gz OVGMBZUZHFPUPZ-HIFRSBDPSA-N 2 0 262.401 1.498 10 0 CDAERP CCC[C@H](C[NH3+])C(=O)N(C)C1CC[NH+](CC)CC1 ZINC000044807930 175256875 /nfs/dbraw/zinc/25/68/75/175256875.db2.gz RLNUJVQNIKQQAV-GFCCVEGCSA-N 2 0 255.406 1.304 10 0 CDAERP CN(CCC[NH3+])C(=O)CC[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045069437 175300564 /nfs/dbraw/zinc/30/05/64/175300564.db2.gz ZQYCGGQFNRPOMC-OAHLLOKOSA-N 2 0 281.444 1.838 10 0 CDAERP C[NH2+][C@@H](C)c1cccc(S(=O)(=O)NC[C@@H](C)[NH+](C)C)c1 ZINC000045110261 175309726 /nfs/dbraw/zinc/30/97/26/175309726.db2.gz ZHQCBUWQCZQYLN-NEPJUHHUSA-N 2 0 299.440 1.195 10 0 CDAERP CC[NH2+][C@](C)(CCCC[N@H+](C)C1CCCC1)C(N)=O ZINC000045384708 175371813 /nfs/dbraw/zinc/37/18/13/175371813.db2.gz QNOZYHHQIHQRPV-OAHLLOKOSA-N 2 0 269.433 1.885 10 0 CDAERP CCOC(=O)[C@@](C)([NH3+])CCCC[N@H+](CC)C1CC1 ZINC000045386329 175372946 /nfs/dbraw/zinc/37/29/46/175372946.db2.gz WGCUWBXAEXNYDH-AWEZNQCLSA-N 2 0 256.390 1.922 10 0 CDAERP COC1CC[NH+](CCCC[C@](C)([NH2+]C2CC2)C(N)=O)CC1 ZINC000045389063 175374068 /nfs/dbraw/zinc/37/40/68/175374068.db2.gz FDDYFSZBDQMFOU-INIZCTEOSA-N 2 0 297.443 1.264 10 0 CDAERP CC(C)C[NH+](CCC[C@@](C)([NH3+])C(N)=O)CC(C)C ZINC000045420414 175378684 /nfs/dbraw/zinc/37/86/84/175378684.db2.gz TXNPKXRZZPFOSZ-CQSZACIVSA-N 2 0 257.422 1.583 10 0 CDAERP C[NH+](C)C1CCN([C@@]2(C[NH3+])CCOC(C)(C)C2)CC1 ZINC000070363621 175892445 /nfs/dbraw/zinc/89/24/45/175892445.db2.gz VEKHAVBCEXUZSN-HNNXBMFYSA-N 2 0 269.433 1.299 10 0 CDAERP CCC[C@@H]1C[C@](C[NH3+])(N(C)CC[NH+]2CCCC2)CCO1 ZINC000070366372 175896345 /nfs/dbraw/zinc/89/63/45/175896345.db2.gz MRYZZLNAQHPOAO-HZPDHXFCSA-N 2 0 283.460 1.691 10 0 CDAERP O=C1[C@@H]([NH2+]C2CC2)CCCN1[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000071032071 176022909 /nfs/dbraw/zinc/02/29/09/176022909.db2.gz NEPOMYGXFKXUHR-SOUVJXGZSA-N 2 0 277.412 1.356 10 0 CDAERP CC(C)[NH2+][C@H]1CCCN(C[C@H]2CCCC[N@@H+]2C)C1=O ZINC000071033678 176024161 /nfs/dbraw/zinc/02/41/61/176024161.db2.gz NPKPQCXBRMODBA-KGLIPLIRSA-N 2 0 267.417 1.460 10 0 CDAERP CCC[NH2+][C@H]1CCCN(C[C@@H]2CCCC[N@@H+]2C)C1=O ZINC000071033662 176024439 /nfs/dbraw/zinc/02/44/39/176024439.db2.gz OYAZPRFOWQBDRZ-KBPBESRZSA-N 2 0 267.417 1.461 10 0 CDAERP CC(C)[NH2+][C@@H]1CCN(C[C@@H](C)[NH+]2CCCCC2)C1=O ZINC000071036358 176025623 /nfs/dbraw/zinc/02/56/23/176025623.db2.gz OOIAVNOYFNTKPA-ZIAGYGMSSA-N 2 0 267.417 1.460 10 0 CDAERP CC[C@H]1CCC[C@](C[NH3+])(N2CC[C@H]([NH+](C)C)C2)C1 ZINC000071124805 176034758 /nfs/dbraw/zinc/03/47/58/176034758.db2.gz OYTGFUASKOLELI-KKUMJFAQSA-N 2 0 253.434 1.920 10 0 CDAERP C[NH2+]C[C@@H]1CC[N@@H+](C2CCC3(CC2)OCCO3)C1 ZINC000071141828 176040463 /nfs/dbraw/zinc/04/04/63/176040463.db2.gz BKCAUZDWHXHEKU-LBPRGKRZSA-N 2 0 254.374 1.213 10 0 CDAERP CC[C@H]1CCCC[C@@]1(C[NH3+])N1CC[NH+](CC)CC1 ZINC000071161525 176046618 /nfs/dbraw/zinc/04/66/18/176046618.db2.gz HRUKFAMZGBNEIH-GJZGRUSLSA-N 2 0 253.434 1.922 10 0 CDAERP C[C@@H]([NH3+])[C@@H](c1ccco1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071187981 176062033 /nfs/dbraw/zinc/06/20/33/176062033.db2.gz WBKRRWBXMGQJDR-BZPMIXESSA-N 2 0 251.374 1.551 10 0 CDAERP Cc1ccc([C@@H]([NH3+])CN(C)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000071188737 176064055 /nfs/dbraw/zinc/06/40/55/176064055.db2.gz NYAPADOJMXLRQZ-ZBFHGGJFSA-N 2 0 261.413 1.878 10 0 CDAERP CC(C)(O)C[NH+]1CCN([C@@H](C[NH3+])c2cccs2)CC1 ZINC000071380275 176144217 /nfs/dbraw/zinc/14/42/17/176144217.db2.gz LYIZJGBQNXAHIH-LBPRGKRZSA-N 2 0 283.441 1.136 10 0 CDAERP C[C@H]([NH3+])[C@@H](c1ccsc1)N1CC[NH+](CC(C)(C)O)CC1 ZINC000071380335 176145014 /nfs/dbraw/zinc/14/50/14/176145014.db2.gz AJOJZKBLYSSPQB-JSGCOSHPSA-N 2 0 297.468 1.525 10 0 CDAERP CC(C)(O)C[NH+]1CCN(Cc2cc(C[NH3+])ccc2F)CC1 ZINC000071380463 176145091 /nfs/dbraw/zinc/14/50/91/176145091.db2.gz DFHBRDVYVWSLSM-UHFFFAOYSA-N 2 0 295.402 1.173 10 0 CDAERP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)[NH2+]CCCO ZINC001665856386 1173075042 /nfs/dbraw/zinc/07/50/42/1173075042.db2.gz MOMICTZMTCGEHS-LSDHHAIUSA-N 2 0 299.459 1.116 10 0 CDAERP CC[C@H](CC[NH3+])CCC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000079211752 177447693 /nfs/dbraw/zinc/44/76/93/177447693.db2.gz ARSPSPZHRHGVAV-QWHCGFSZSA-N 2 0 255.406 1.352 10 0 CDAERP CC[C@@](C)(O)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000162115812 287392131 /nfs/dbraw/zinc/39/21/31/287392131.db2.gz CKEXVKWQHUPSTI-OAHLLOKOSA-N 2 0 271.449 1.105 10 0 CDAERP CCn1nncc1C[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000417941196 227246756 /nfs/dbraw/zinc/24/67/56/227246756.db2.gz MPZHPLIDPUYMHW-OKILXGFUSA-N 2 0 295.431 1.277 10 0 CDAERP C[C@@H]1CCN(C(=O)C[C@@H]2CCC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000261851582 287523443 /nfs/dbraw/zinc/52/34/43/287523443.db2.gz QNVWEAWMNOPKEN-MGPQQGTHSA-N 2 0 267.417 1.352 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001666482464 1173138314 /nfs/dbraw/zinc/13/83/14/1173138314.db2.gz PWGDDLYYSYSNQL-LSDHHAIUSA-N 2 0 281.444 1.565 10 0 CDAERP CCCCC[NH2+]C[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001666611079 1173161237 /nfs/dbraw/zinc/16/12/37/1173161237.db2.gz RDKDQJVDPXGJID-AWEZNQCLSA-N 2 0 283.460 1.860 10 0 CDAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C[NH2+]CCC1CC1 ZINC001666620162 1173162286 /nfs/dbraw/zinc/16/22/86/1173162286.db2.gz MLXSMKKHQYNMKU-KGLIPLIRSA-N 2 0 281.444 1.470 10 0 CDAERP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1cn(C)cn1 ZINC000313276697 260275947 /nfs/dbraw/zinc/27/59/47/260275947.db2.gz YWYFLJGZWJSLFW-KBPBESRZSA-N 2 0 264.417 1.863 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)cc1 ZINC000655416969 423775756 /nfs/dbraw/zinc/77/57/56/423775756.db2.gz BHTYJIKRRWJUOJ-YLQAJVPDSA-N 2 0 287.407 1.712 10 0 CDAERP COC[C@H](C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)OC ZINC000662273477 423832263 /nfs/dbraw/zinc/83/22/63/423832263.db2.gz NDOUCFZZSHWFBR-KFWWJZLASA-N 2 0 270.417 1.359 10 0 CDAERP c1cc(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)c2c(c1)C[NH2+]CC2 ZINC000662314665 423948932 /nfs/dbraw/zinc/94/89/32/423948932.db2.gz AJJAWEPYYHEIEQ-HZPDHXFCSA-N 2 0 272.392 1.801 10 0 CDAERP Cc1cnn(CC[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000662292368 423917532 /nfs/dbraw/zinc/91/75/32/423917532.db2.gz FADHIMAMEGWNJX-MRXNPFEDSA-N 2 0 276.428 1.903 10 0 CDAERP C[C@H]1CCCN(C(=O)c2cc(C(C)(C)[NH3+])no2)[C@H]1C[NH3+] ZINC000662424525 424077408 /nfs/dbraw/zinc/07/74/08/424077408.db2.gz TVWUAVRPLWWSSO-UWVGGRQHSA-N 2 0 280.372 1.068 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N(C)CC[NH+]2CCCCC2)CC[N@@H+]1C ZINC000652991899 424078016 /nfs/dbraw/zinc/07/80/16/424078016.db2.gz VTSBWCMIGIPQMO-GJZGRUSLSA-N 2 0 281.444 1.661 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@H](C)CCC[NH3+] ZINC000652220585 424096859 /nfs/dbraw/zinc/09/68/59/424096859.db2.gz DORHIMBXDJEAHM-CYBMUJFWSA-N 2 0 272.437 1.391 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1CCC(C)([NH3+])CC1 ZINC000652224733 424085352 /nfs/dbraw/zinc/08/53/52/424085352.db2.gz GTRWQRFLFFKLHN-UHFFFAOYSA-N 2 0 284.448 1.487 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000659554308 424097717 /nfs/dbraw/zinc/09/77/17/424097717.db2.gz GJFOAYLAANBRLX-XJFOESAGSA-N 2 0 282.432 1.047 10 0 CDAERP C[NH2+]CCCN(C)C(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662574343 424191119 /nfs/dbraw/zinc/19/11/19/424191119.db2.gz HVZILLYRLIMIDE-HNNXBMFYSA-N 2 0 289.423 1.747 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)cc1 ZINC000653054500 424181222 /nfs/dbraw/zinc/18/12/22/424181222.db2.gz XXUIVPUITDMWSU-XZJROXQQSA-N 2 0 287.407 1.853 10 0 CDAERP CN(C(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000653117886 424303022 /nfs/dbraw/zinc/30/30/22/424303022.db2.gz YMDOCIMOHLFZIU-ILXRZTDVSA-N 2 0 277.412 1.212 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)C(C)C ZINC001667059138 1173228580 /nfs/dbraw/zinc/22/85/80/1173228580.db2.gz NVAJDSYPOIQNBL-CQSZACIVSA-N 2 0 271.449 1.809 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC000653148676 424376858 /nfs/dbraw/zinc/37/68/58/424376858.db2.gz HZEAPNDNEFTBII-UAOKOLBASA-N 2 0 293.455 1.754 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC000653148674 424378212 /nfs/dbraw/zinc/37/82/12/424378212.db2.gz HZEAPNDNEFTBII-DISOXQEGSA-N 2 0 293.455 1.754 10 0 CDAERP CO[C@@H]1C[N@H+](CCCc2cncn2C)CC[C@@H]1C ZINC000653634731 424384470 /nfs/dbraw/zinc/38/44/70/424384470.db2.gz GRJHEIMBDKSCPZ-GXTWGEPZSA-N 2 0 251.374 1.710 10 0 CDAERP C[C@@H]1CC[C@H]([NH2+]CCCC[NH+]2CCN(C)CC2)CS1 ZINC000655688873 424392966 /nfs/dbraw/zinc/39/29/66/424392966.db2.gz OMCJJZKTECEJPI-CABCVRRESA-N 2 0 285.501 1.888 10 0 CDAERP [NH3+]Cc1cc(NC(=O)CC2([NH3+])CC2)cc(C(F)(F)F)c1 ZINC000662774037 424436284 /nfs/dbraw/zinc/43/62/84/424436284.db2.gz LZEIIWQSIAKEMJ-UHFFFAOYSA-N 2 0 287.285 1.984 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000659295241 424506245 /nfs/dbraw/zinc/50/62/45/424506245.db2.gz VNRSAFAFPQCVNC-MFKMUULPSA-N 2 0 265.357 1.397 10 0 CDAERP C[C@H](CC(=O)N[C@@H](C[NH3+])C(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000655504365 424666475 /nfs/dbraw/zinc/66/64/75/424666475.db2.gz ARVYCQJTPSDEGN-BBBLOLIVSA-N 2 0 281.322 1.018 10 0 CDAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H]([NH3+])C1CCC1 ZINC000399155924 270368427 /nfs/dbraw/zinc/36/84/27/270368427.db2.gz CXOMKACCCUGBLY-XJKSGUPXSA-N 2 0 289.423 1.751 10 0 CDAERP C(C[NH2+]C1CCCCCC1)N[C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423282636 275393662 /nfs/dbraw/zinc/39/36/62/275393662.db2.gz CZNMOVDCFFKJAM-SJORKVTESA-N 2 0 295.471 1.655 10 0 CDAERP CC(C)C[C@H](CNC(=O)c1c[nH+]ccc1N(C)C)[NH+](C)C ZINC000183623096 275596489 /nfs/dbraw/zinc/59/64/89/275596489.db2.gz NWQPUQRBTDUMHP-CYBMUJFWSA-N 2 0 292.427 1.854 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000340969030 276010318 /nfs/dbraw/zinc/01/03/18/276010318.db2.gz DCAUEVOUZVKEQC-OCCSQVGLSA-N 2 0 265.401 1.214 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000174000236 276185226 /nfs/dbraw/zinc/18/52/26/276185226.db2.gz SPYSJQRHAVFOOS-GJZGRUSLSA-N 2 0 298.475 1.746 10 0 CDAERP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)C1 ZINC000422970923 276263535 /nfs/dbraw/zinc/26/35/35/276263535.db2.gz HNVWFPRRFPOBSB-KBMXLJTQSA-N 2 0 281.444 1.075 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)N2C[C@@H]3CCC[NH+]3C[C@H]2C)C1 ZINC000246956207 276375206 /nfs/dbraw/zinc/37/52/06/276375206.db2.gz DGHITCXRZABUTL-ILXRZTDVSA-N 2 0 294.443 1.349 10 0 CDAERP CN1CC[C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1=O ZINC000424186561 277163143 /nfs/dbraw/zinc/16/31/43/277163143.db2.gz IKGNQWZFFYXXMM-MJBXVCDLSA-N 2 0 265.401 1.071 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3c[nH]nc3C2)[C@@H]2CCC[C@H]21 ZINC000353408658 277173030 /nfs/dbraw/zinc/17/30/30/277173030.db2.gz UNZGWUAWSOSBCR-ORIJERBGSA-N 2 0 274.412 1.729 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333143373 277393547 /nfs/dbraw/zinc/39/35/47/277393547.db2.gz DHNZTVDSGMAJBY-LSDHHAIUSA-N 2 0 296.459 1.548 10 0 CDAERP CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261731480 278291717 /nfs/dbraw/zinc/29/17/17/278291717.db2.gz HIHZXAPYMYSQDC-PBHICJAKSA-N 2 0 295.471 1.860 10 0 CDAERP CC1(C)C[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)C(C)(C)O1 ZINC000151330360 278369206 /nfs/dbraw/zinc/36/92/06/278369206.db2.gz CSDVBVDKNPRDPR-ZIAGYGMSSA-N 2 0 284.444 1.769 10 0 CDAERP CC[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)C(=O)NC ZINC000423164072 288068225 /nfs/dbraw/zinc/06/82/25/288068225.db2.gz NRTRFEFSIBJPPD-ZOBORPQBSA-N 2 0 267.417 1.411 10 0 CDAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000262655686 279035957 /nfs/dbraw/zinc/03/59/57/279035957.db2.gz CQCNACCRLPASJY-JJXSEGSLSA-N 2 0 293.455 1.707 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000341063341 279129239 /nfs/dbraw/zinc/12/92/39/279129239.db2.gz XJGBDCRMHWUVBK-LSDHHAIUSA-N 2 0 294.443 1.372 10 0 CDAERP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000418580957 279180601 /nfs/dbraw/zinc/18/06/01/279180601.db2.gz UFHJLEFRKATXBC-HUUCEWRRSA-N 2 0 296.459 1.502 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000245416057 279300128 /nfs/dbraw/zinc/30/01/28/279300128.db2.gz DVCKPXCHQQDPOT-RWMBFGLXSA-N 2 0 253.390 1.057 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000245661251 279319659 /nfs/dbraw/zinc/31/96/59/279319659.db2.gz DEDKGPINRYXYGI-ZNMIVQPWSA-N 2 0 294.443 1.349 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000462015553 279374176 /nfs/dbraw/zinc/37/41/76/279374176.db2.gz QLEWLCDLWSSIDQ-KKUMJFAQSA-N 2 0 298.475 1.839 10 0 CDAERP CC[NH+]1CCC[C@@H](NC(=O)N[C@@H]2CCC[N@@H+](CC)C2)C1 ZINC000194310998 280032724 /nfs/dbraw/zinc/03/27/24/280032724.db2.gz JZAOVSQKYBDORD-ZIAGYGMSSA-N 2 0 282.432 1.254 10 0 CDAERP C[C@@H](O)C[N@@H+]1CCN(CC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000246826040 280305529 /nfs/dbraw/zinc/30/55/29/280305529.db2.gz SIAHTWLLUMDJQJ-JKSUJKDBSA-N 2 0 283.460 1.105 10 0 CDAERP CCOCCN1CCN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1CC ZINC000246886680 280308552 /nfs/dbraw/zinc/30/85/52/280308552.db2.gz DMGRUNAMGNNZQY-CABCVRRESA-N 2 0 299.459 1.286 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@@H]2CCC[N@@H+]2C)C1 ZINC000247231621 280324301 /nfs/dbraw/zinc/32/43/01/280324301.db2.gz ZHWPKOJGNYHSIZ-MJBXVCDLSA-N 2 0 282.432 1.253 10 0 CDAERP C[C@@H]([NH2+]C[C@@H]1CCCN1CCCO)[C@@H]1C[C@H]1C1CC1 ZINC000527713067 281175161 /nfs/dbraw/zinc/17/51/61/281175161.db2.gz JJJGFDNKPRLEQF-OEAJRASXSA-N 2 0 266.429 1.857 10 0 CDAERP CC(C)(C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)N1CCCC1 ZINC000527813956 281190885 /nfs/dbraw/zinc/19/08/85/281190885.db2.gz XCAHOQBTJBRWSF-LSDHHAIUSA-N 2 0 293.455 1.851 10 0 CDAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC[NH+](CC)CC ZINC000245589864 281197527 /nfs/dbraw/zinc/19/75/27/281197527.db2.gz AWJSEGPGMOMSPO-GJZGRUSLSA-N 2 0 296.459 1.596 10 0 CDAERP CC1(C)NC(=O)CC[C@@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000338600100 281384885 /nfs/dbraw/zinc/38/48/85/281384885.db2.gz ZISCMYZMUIIZTH-LBPRGKRZSA-N 2 0 253.390 1.119 10 0 CDAERP CC1(C)[NH2+]CC[C@@H]1NC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000335591358 281397236 /nfs/dbraw/zinc/39/72/36/281397236.db2.gz KRKCLIKINYAHLW-HNNXBMFYSA-N 2 0 287.407 1.245 10 0 CDAERP C[C@@H](CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1cccc1 ZINC000531357287 281748927 /nfs/dbraw/zinc/74/89/27/281748927.db2.gz UKWKZPNSYMINJA-HNNXBMFYSA-N 2 0 294.443 1.391 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CC[NH+](CC2(O)CCOCC2)C1 ZINC000154264974 289200308 /nfs/dbraw/zinc/20/03/08/289200308.db2.gz UVYLMUPHMPAPOE-AWEZNQCLSA-N 2 0 270.417 1.192 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)NCC[NH+](CC)CC)CC1 ZINC000157631302 289291022 /nfs/dbraw/zinc/29/10/22/289291022.db2.gz XHASHXIEIFTKFU-UHFFFAOYSA-N 2 0 298.475 1.749 10 0 CDAERP C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000335476466 289372709 /nfs/dbraw/zinc/37/27/09/289372709.db2.gz CQRGSJWFBIKGFI-HNNXBMFYSA-N 2 0 275.396 1.702 10 0 CDAERP C[C@@H]1C[C@@H](C)[NH+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000548096939 289842555 /nfs/dbraw/zinc/84/25/55/289842555.db2.gz XDFBMIQMZCCGIE-FMKPAKJESA-N 2 0 289.423 1.888 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC000561225660 293066971 /nfs/dbraw/zinc/06/69/71/293066971.db2.gz NLGRLDLTCUIFJM-QWHCGFSZSA-N 2 0 255.406 1.175 10 0 CDAERP COC[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)OC ZINC000353674226 293108228 /nfs/dbraw/zinc/10/82/28/293108228.db2.gz TXXKJJPQHHFHFL-FQUUOJAGSA-N 2 0 256.390 1.110 10 0 CDAERP C[C@H](NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)[C@H]1CCC[NH2+]C1 ZINC000562814847 293203580 /nfs/dbraw/zinc/20/35/80/293203580.db2.gz KNGQBRWRCITJMV-OFQRWUPVSA-N 2 0 294.443 1.160 10 0 CDAERP COC[C@]1(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CCC[NH2+]1 ZINC000423412786 293294513 /nfs/dbraw/zinc/29/45/13/293294513.db2.gz IODJDQPUTJSKNE-ZJIFWQFVSA-N 2 0 281.444 1.217 10 0 CDAERP CC(C)[C@H](C(=O)N1CC2CCC1(C[NH3+])CC2)[C@@H](C)[NH3+] ZINC000564344136 293347520 /nfs/dbraw/zinc/34/75/20/293347520.db2.gz WGYAKRFULRNYDU-UQJCBBSYSA-N 2 0 267.417 1.336 10 0 CDAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCC2=CCCCCC2)CC1 ZINC000564870636 293439116 /nfs/dbraw/zinc/43/91/16/293439116.db2.gz AKIZRJNDZXTCRL-KRWDZBQOSA-N 2 0 295.471 1.465 10 0 CDAERP C[NH+](C)Cc1ccc(C(=O)N2CCCC[C@H]2C[NH3+])cc1 ZINC000564947441 293466602 /nfs/dbraw/zinc/46/66/02/293466602.db2.gz BOLXAACVZLHIEQ-HNNXBMFYSA-N 2 0 275.396 1.702 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)NCC1([NH3+])CCCCCC1 ZINC000567248179 293745896 /nfs/dbraw/zinc/74/58/96/293745896.db2.gz MLRMWXFILKFZRW-UHFFFAOYSA-N 2 0 284.448 1.631 10 0 CDAERP CCn1c(C[NH2+]CCN2CC[NH2+]CC2)nc2ccccc21 ZINC000569329836 294187334 /nfs/dbraw/zinc/18/73/34/294187334.db2.gz JBMMRUKZDJUTJQ-UHFFFAOYSA-N 2 0 287.411 1.051 10 0 CDAERP C[NH2+]CC1CC[NH+](Cc2cc(-c3cnn(C)c3)no2)CC1 ZINC000570570914 294264036 /nfs/dbraw/zinc/26/40/36/294264036.db2.gz OHORFKOLOAMAFL-UHFFFAOYSA-N 2 0 289.383 1.507 10 0 CDAERP [NH3+]C1(CNC(=O)CC[NH2+]C2CC2)C2CC3CC(C2)CC1C3 ZINC000570941560 294339343 /nfs/dbraw/zinc/33/93/43/294339343.db2.gz OBWPPBLJVVYERN-UHFFFAOYSA-N 2 0 291.439 1.398 10 0 CDAERP CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC000572393636 294615168 /nfs/dbraw/zinc/61/51/68/294615168.db2.gz RJLLOXGWGMXYSN-BZUAXINKSA-N 2 0 283.460 1.153 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000371230825 295277772 /nfs/dbraw/zinc/27/77/72/295277772.db2.gz NJLNUZBRFXBTSZ-CVEARBPZSA-N 2 0 287.407 1.750 10 0 CDAERP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000335170532 297112639 /nfs/dbraw/zinc/11/26/39/297112639.db2.gz RKFZJPCQUYBQOB-ZUJMUWTESA-N 2 0 294.443 1.395 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H](C)[C@H](C)[NH3+])cc1 ZINC000418463229 299003700 /nfs/dbraw/zinc/00/37/00/299003700.db2.gz OAXRNJPFSJURFS-DCAQKATOSA-N 2 0 264.373 1.241 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)N(C)CC(C)(C)C[NH3+])cc1 ZINC000418464151 299003784 /nfs/dbraw/zinc/00/37/84/299003784.db2.gz PHWJDWTZESSRRT-LBPRGKRZSA-N 2 0 292.427 1.833 10 0 CDAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000094460093 300313779 /nfs/dbraw/zinc/31/37/79/300313779.db2.gz HTXVBXLADOCCJJ-REWJHTLYSA-N 2 0 265.401 1.057 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000333243595 303401154 /nfs/dbraw/zinc/40/11/54/303401154.db2.gz FHZFPZFNRYCDEU-QWHCGFSZSA-N 2 0 280.416 1.041 10 0 CDAERP CC(C)[NH2+]CCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001670095635 1173653592 /nfs/dbraw/zinc/65/35/92/1173653592.db2.gz RJWCRDBSNSHBJD-CQSZACIVSA-N 2 0 267.417 1.175 10 0 CDAERP CC(C)C[NH2+]CCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001670246387 1173666599 /nfs/dbraw/zinc/66/65/99/1173666599.db2.gz XOWKCXQRBMWGIH-AWEZNQCLSA-N 2 0 269.433 1.422 10 0 CDAERP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NCCC[NH+]1CCCC1 ZINC000566193847 316509606 /nfs/dbraw/zinc/50/96/06/316509606.db2.gz RUDDZXUACQLPHH-GJZGRUSLSA-N 2 0 281.444 1.886 10 0 CDAERP Cc1ccc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c(C)c1 ZINC000570025830 316894795 /nfs/dbraw/zinc/89/47/95/316894795.db2.gz RODPKPTZXSSQRA-KRWDZBQOSA-N 2 0 291.439 1.001 10 0 CDAERP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000575914954 317036965 /nfs/dbraw/zinc/03/69/65/317036965.db2.gz ZOTFHHRYQDJMQO-BHUNQDJPSA-N 3 0 294.487 1.452 10 0 CDAERP C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000576277757 317108922 /nfs/dbraw/zinc/10/89/22/317108922.db2.gz QTSWPUNZCDGJMX-WFASDCNBSA-N 2 0 293.386 1.278 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])CC[NH2+]1 ZINC000580076804 324361252 /nfs/dbraw/zinc/36/12/52/324361252.db2.gz GMXPELFMRGHIRV-NOLJZWGESA-N 2 0 287.407 1.459 10 0 CDAERP CC[NH2+]CCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000581537915 324773483 /nfs/dbraw/zinc/77/34/83/324773483.db2.gz DARJZJIYMCNLEF-XQQFMLRXSA-N 2 0 253.390 1.023 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)C1 ZINC000581835416 324842332 /nfs/dbraw/zinc/84/23/32/324842332.db2.gz ZEOLOIKHKVROOV-JHJVBQTASA-N 2 0 294.420 1.417 10 0 CDAERP Cn1nc2c(c1C[NH2+][C@H]1CCC[C@H]([NH3+])C1)CCCC2 ZINC000584123659 327045793 /nfs/dbraw/zinc/04/57/93/327045793.db2.gz DNAVXYKLXDUTLX-RYUDHWBXSA-N 2 0 262.401 1.658 10 0 CDAERP [NH3+]C1CCC(OCC(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000584469325 329492733 /nfs/dbraw/zinc/49/27/33/329492733.db2.gz ZGGXFSSMGDRERA-UHFFFAOYSA-N 2 0 289.379 1.515 10 0 CDAERP C[NH+](C)C1(C(=O)NCCC[N@@H+](C)C/C=C\Cl)CCC1 ZINC001731246148 1159286812 /nfs/dbraw/zinc/28/68/12/1159286812.db2.gz STCBNJLPLVZJLQ-UITAMQMPSA-N 2 0 287.835 1.661 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001481064313 1159510897 /nfs/dbraw/zinc/51/08/97/1159510897.db2.gz HPGINMHNEQOPRT-ZIAGYGMSSA-N 2 0 267.417 1.317 10 0 CDAERP C[N@@H+](C/C=C\Cl)CCCNC(=O)C[NH+]1CCCC1 ZINC001712988272 1159749213 /nfs/dbraw/zinc/74/92/13/1159749213.db2.gz DVDBHSZHPOSXBM-XQRVVYSFSA-N 2 0 273.808 1.273 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC/C=C\C[NH2+]CC2CC2)C1 ZINC001268614190 1160000111 /nfs/dbraw/zinc/00/01/11/1160000111.db2.gz SWTBQLHEVXDUIC-MYIWKSEUSA-N 2 0 293.455 1.779 10 0 CDAERP CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001271261796 1160316534 /nfs/dbraw/zinc/31/65/34/1160316534.db2.gz SDMJLWVTPRJYRO-RBSFLKMASA-N 2 0 283.460 1.857 10 0 CDAERP Cc1cnccc1C[NH2+]CCCN1CC[NH+](C)CC1 ZINC000384952249 1160408171 /nfs/dbraw/zinc/40/81/71/1160408171.db2.gz LWXGURUJHOPMOY-UHFFFAOYSA-N 2 0 262.401 1.117 10 0 CDAERP CCCC[NH2+]C[C@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001732999394 1160412285 /nfs/dbraw/zinc/41/22/85/1160412285.db2.gz VKXUTLCKFATFHE-UONOGXRCSA-N 2 0 269.433 1.755 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000136460154 482206526 /nfs/dbraw/zinc/20/65/26/482206526.db2.gz MCLCWBMNBAUQKJ-STQMWFEESA-N 2 0 253.390 1.057 10 0 CDAERP COc1cccc([C@H](CNC(=O)CC2([NH3+])CC2)[NH+](C)C)c1 ZINC000398187454 482247261 /nfs/dbraw/zinc/24/72/61/482247261.db2.gz QGUOKVLJXYPSPD-AWEZNQCLSA-N 2 0 291.395 1.296 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)[C@H]1CCc2nc[nH]c2C1 ZINC000668300185 482360362 /nfs/dbraw/zinc/36/03/62/482360362.db2.gz DAQMDKXCRNUFNA-ZDUSSCGKSA-N 2 0 292.427 1.561 10 0 CDAERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@H](C)CO)C1 ZINC000678045114 482396999 /nfs/dbraw/zinc/39/69/99/482396999.db2.gz XROQIJIKOKXKCD-UONOGXRCSA-N 2 0 258.406 1.048 10 0 CDAERP CCC(C)(C)[NH+]1CCN(C(=O)CC2([NH3+])CC2)CC1 ZINC000662831731 482431711 /nfs/dbraw/zinc/43/17/11/482431711.db2.gz OKOGYJZMOMULCN-UHFFFAOYSA-N 2 0 253.390 1.201 10 0 CDAERP C[C@@H]([NH2+][C@@H](C)c1nccn1C)C1CC[NH+](C)CC1 ZINC000396471577 482477483 /nfs/dbraw/zinc/47/74/83/482477483.db2.gz XUOGLHSMMKIVOT-NEPJUHHUSA-N 2 0 250.390 1.801 10 0 CDAERP OC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000401077510 482531815 /nfs/dbraw/zinc/53/18/15/482531815.db2.gz MTOVPEVVKPDOIG-NIFZNCRKSA-N 2 0 252.402 1.515 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000417010472 482562181 /nfs/dbraw/zinc/56/21/81/482562181.db2.gz PCWPDIPFFUZONA-UPJWGTAASA-N 2 0 270.421 1.286 10 0 CDAERP CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000669530083 482597788 /nfs/dbraw/zinc/59/77/88/482597788.db2.gz PQFRMEUKRBEFCU-MGPQQGTHSA-N 2 0 282.432 1.158 10 0 CDAERP CC[C@@H](C[NH+]1CCCC1)NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000669529884 482598629 /nfs/dbraw/zinc/59/86/29/482598629.db2.gz HRUJBXIAYBLDEF-ZFWWWQNUSA-N 2 0 294.443 1.397 10 0 CDAERP C[N@H+](CCCNC(=O)NC/C=C\C[NH3+])C1CCCCC1 ZINC000669306352 482678627 /nfs/dbraw/zinc/67/86/27/482678627.db2.gz GFUFBPVRTDIXJP-WAYWQWQTSA-N 2 0 282.432 1.455 10 0 CDAERP O[C@@H]1C[C@H]2CN(c3cc[nH+]c4ccccc43)CC[N@@H+]2C1 ZINC000405668278 482872514 /nfs/dbraw/zinc/87/25/14/482872514.db2.gz JNWSGGUKFGTING-QWHCGFSZSA-N 2 0 269.348 1.490 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000669403358 482888672 /nfs/dbraw/zinc/88/86/72/482888672.db2.gz WVHPXRSUXIJKHY-LSDHHAIUSA-N 2 0 294.443 1.254 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000674011972 482923139 /nfs/dbraw/zinc/92/31/39/482923139.db2.gz YJBDXFXGHSOWKA-LSDHHAIUSA-N 2 0 293.455 1.851 10 0 CDAERP C[NH+](C)CCOc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc1 ZINC000666846763 482948866 /nfs/dbraw/zinc/94/88/66/482948866.db2.gz NXICCMXZLIHOPR-MRXNPFEDSA-N 3 0 291.439 1.859 10 0 CDAERP CCC[N@@H+]1CC[C@@H](NC(=O)N(C)[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000666926882 483004184 /nfs/dbraw/zinc/00/41/84/483004184.db2.gz ZZBAZMWHWNSEOD-HIFRSBDPSA-N 2 0 294.443 1.349 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000250599724 483020767 /nfs/dbraw/zinc/02/07/67/483020767.db2.gz JSMOELBZDZXAEU-RFGFWPKPSA-N 2 0 265.401 1.118 10 0 CDAERP Cc1nc(CC[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cs1 ZINC000667023741 483056193 /nfs/dbraw/zinc/05/61/93/483056193.db2.gz IXINBIRFOAYVHF-JQWIXIFHSA-N 2 0 253.415 1.972 10 0 CDAERP CO[C@H]1CCC[C@@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000685042636 483076679 /nfs/dbraw/zinc/07/66/79/483076679.db2.gz IQQZMCCSCNDUQS-CABCVRRESA-N 2 0 283.460 1.560 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CC2(CC(N)=O)CCCCC2)CC[N@@H+]1C ZINC000658343653 483151581 /nfs/dbraw/zinc/15/15/81/483151581.db2.gz PZWBWJDVSAEURB-ZIAGYGMSSA-N 2 0 281.444 1.885 10 0 CDAERP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000669491375 483280030 /nfs/dbraw/zinc/28/00/30/483280030.db2.gz WXBSTXQQYADILH-UKRRQHHQSA-N 2 0 292.427 1.007 10 0 CDAERP CN(CCC(=O)N[C@H]1CCC[N@H+](C)C1)c1cc[nH+]cc1 ZINC000679409768 483361183 /nfs/dbraw/zinc/36/11/83/483361183.db2.gz QXSNUHFXGPJKTO-ZDUSSCGKSA-N 2 0 276.384 1.118 10 0 CDAERP CC[C@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@H]1O ZINC000667710804 483393963 /nfs/dbraw/zinc/39/39/63/483393963.db2.gz PCKLGCRLJOUXLK-SWLSCSKDSA-N 2 0 272.352 1.470 10 0 CDAERP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CO[C@H](C3CC3)C2)C1 ZINC000667796238 483431980 /nfs/dbraw/zinc/43/19/80/483431980.db2.gz FHVHUFUMJPGAEF-YUELXQCFSA-N 2 0 252.402 1.875 10 0 CDAERP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)C1 ZINC000667796237 483432057 /nfs/dbraw/zinc/43/20/57/483432057.db2.gz FHVHUFUMJPGAEF-VHDGCEQUSA-N 2 0 252.402 1.875 10 0 CDAERP c1cc2cnccc2c(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000679989914 483508234 /nfs/dbraw/zinc/50/82/34/483508234.db2.gz UKQUPDNBRUQVQT-HUUCEWRRSA-N 2 0 253.349 1.886 10 0 CDAERP CC[C@@H](C)[C@@H]([NH3+])C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322927514 483554164 /nfs/dbraw/zinc/55/41/64/483554164.db2.gz NLWCIVSBWCDJCY-JVGWCMFKSA-N 2 0 253.390 1.101 10 0 CDAERP C[C@H](CCNC(=O)N[C@H]1CCC[N@H+](C)C1)[NH+]1CCCCC1 ZINC000680273256 483571722 /nfs/dbraw/zinc/57/17/22/483571722.db2.gz WUHZRWXESJIBEB-CABCVRRESA-N 2 0 296.459 1.644 10 0 CDAERP CN(CC[NH2+]CCC1CC1)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001691555798 1160699243 /nfs/dbraw/zinc/69/92/43/1160699243.db2.gz KIWKCPGIPJFUJS-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP CCC1CCC([N@H+](C)CCn2cc(C[NH3+])nn2)CC1 ZINC000052345591 519853521 /nfs/dbraw/zinc/85/35/21/519853521.db2.gz WLAZEFYFKAZPJS-UHFFFAOYSA-N 2 0 265.405 1.637 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000061296938 519904861 /nfs/dbraw/zinc/90/48/61/519904861.db2.gz VGRIVUWVTJJZNL-LBPRGKRZSA-N 2 0 255.406 1.365 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H]2CN(C)C)O1 ZINC000061654505 519956046 /nfs/dbraw/zinc/95/60/46/519956046.db2.gz JDYIMROGAMTHFM-QLFBSQMISA-N 2 0 269.433 1.170 10 0 CDAERP CCC[NH2+][C@@H](CC)[C@@H](C)N1CCN(CC[NH+](C)C)CC1 ZINC000061644034 519993197 /nfs/dbraw/zinc/99/31/97/519993197.db2.gz QYCWMRMBFNXBGU-CVEARBPZSA-N 2 0 284.492 1.332 10 0 CDAERP CCC[NH2+][C@@](C)(CCC[N@H+](CC)CC1CC1)C(N)=O ZINC000069239483 520034056 /nfs/dbraw/zinc/03/40/56/520034056.db2.gz SPBFKMRSIOZBTE-HNNXBMFYSA-N 2 0 269.433 1.742 10 0 CDAERP CCN(C(=O)C[NH+]1CC[C@H](C)C1)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001367076197 1161312431 /nfs/dbraw/zinc/31/24/31/1161312431.db2.gz TZWYURFMLOQTMJ-LSDHHAIUSA-N 2 0 281.444 1.659 10 0 CDAERP COCCC[NH2+]C1(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001670903904 1161347339 /nfs/dbraw/zinc/34/73/39/1161347339.db2.gz UPIVSVPBKASOIJ-ZIAGYGMSSA-N 2 0 297.443 1.134 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC ZINC001715649803 1179751827 /nfs/dbraw/zinc/75/18/27/1179751827.db2.gz WRPXLWOICIEIGS-OLZOCXBDSA-N 2 0 255.406 1.365 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC([NH+]2CCO[C@@H](C)C2)CC1 ZINC000067592269 519607088 /nfs/dbraw/zinc/60/70/88/519607088.db2.gz DFPKPEQAJYHGGP-AWEZNQCLSA-N 2 0 297.443 1.038 10 0 CDAERP CC(C)CCCOC[C@H](O)C[NH2+][C@@H](C)CC[NH+](C)C ZINC000049557227 519642936 /nfs/dbraw/zinc/64/29/36/519642936.db2.gz IYCWLNXPZPLXLE-LSDHHAIUSA-N 2 0 274.449 1.730 10 0 CDAERP CC(C)CCOCC[NH+]1CCN(C[C@@H](C)C[NH3+])CC1 ZINC000049265213 519666003 /nfs/dbraw/zinc/66/60/03/519666003.db2.gz ASBAAQDLLMALRG-HNNXBMFYSA-N 2 0 271.449 1.262 10 0 CDAERP CC(C)[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C)[C@@H]([NH3+])C2)CC1 ZINC000055129200 519680509 /nfs/dbraw/zinc/68/05/09/519680509.db2.gz TVXUZPIJFGIWSI-MJBXVCDLSA-N 2 0 267.417 1.303 10 0 CDAERP CC(C)C[N@H+](C)CCn1cc(C[NH2+]C2CC2)nn1 ZINC000052452691 519708909 /nfs/dbraw/zinc/70/89/09/519708909.db2.gz VBVADSLSQKSDNM-UHFFFAOYSA-N 2 0 251.378 1.118 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)[C@H]1CC[C@H](C)[C@@H]([NH3+])C1 ZINC000055134724 519716195 /nfs/dbraw/zinc/71/61/95/519716195.db2.gz OLUFIYXYIXRJAU-KKUMJFAQSA-N 2 0 283.460 1.796 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)C2CCN(C)CC2)O1 ZINC000052419918 519723538 /nfs/dbraw/zinc/72/35/38/519723538.db2.gz KPOSKHSDXNMOLQ-HOTGVXAUSA-N 2 0 283.460 1.558 10 0 CDAERP CC(C)[NH2+]C[C@H]1CC[C@H](C[N@@H+]2CCC[C@@H]2CN(C)C)O1 ZINC000061654514 519725749 /nfs/dbraw/zinc/72/57/49/519725749.db2.gz RVXVUKWXFRUPTC-BZUAXINKSA-N 2 0 283.460 1.558 10 0 CDAERP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000246245469 519817595 /nfs/dbraw/zinc/81/75/95/519817595.db2.gz HEPPLDMHVOVQHX-KBXIAJHMSA-N 2 0 281.444 1.739 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@H]2CCC[C@H](C[NH3+])C2)CC1 ZINC000055163204 519846272 /nfs/dbraw/zinc/84/62/72/519846272.db2.gz QFCUYSFNDMXBMM-KBPBESRZSA-N 2 0 281.444 1.742 10 0 CDAERP CCC[NH+]1CCN([C@H](C[NH2+]C2CC2)C(C)C)CC1 ZINC000052421701 519859697 /nfs/dbraw/zinc/85/96/97/519859697.db2.gz GCEBOOGLCRBLCM-OAHLLOKOSA-N 2 0 253.434 1.791 10 0 CDAERP CC(C)c1ncc(N2CC[C@H]([NH+]3CCCC3)C2)c(C[NH3+])n1 ZINC000062971407 519876724 /nfs/dbraw/zinc/87/67/24/519876724.db2.gz JFNZHDVHNANQRK-ZDUSSCGKSA-N 2 0 289.427 1.733 10 0 CDAERP CC[NH2+]CC1(CN2CC[NH+](C3CC3)CC2)CCOCC1 ZINC000052198068 519912471 /nfs/dbraw/zinc/91/24/71/519912471.db2.gz NONAXGJKMQYQAC-UHFFFAOYSA-N 2 0 281.444 1.173 10 0 CDAERP CCC[NH2+]CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000236794039 519915759 /nfs/dbraw/zinc/91/57/59/519915759.db2.gz PIISRGHGDNPZBG-AVGNSLFASA-N 2 0 253.390 1.023 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000061266232 519936668 /nfs/dbraw/zinc/93/66/68/519936668.db2.gz WCVRLAFSEGSIEQ-OLZOCXBDSA-N 2 0 255.406 1.223 10 0 CDAERP CCC[NH2+]Cc1ccc(N2CCC[C@H]2C[NH+](C)C)nn1 ZINC000061654240 519950763 /nfs/dbraw/zinc/95/07/63/519950763.db2.gz OJRLOFNVJREQNI-AWEZNQCLSA-N 2 0 277.416 1.507 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2ccco2)O1 ZINC000052456862 519977903 /nfs/dbraw/zinc/97/79/03/519977903.db2.gz HZFDBVPNPGADRD-OCCSQVGLSA-N 2 0 252.358 1.869 10 0 CDAERP CC[NH2+]Cc1ccc(N2CC[NH+]([C@H](C)CC)CC2)nn1 ZINC000055073424 519998111 /nfs/dbraw/zinc/99/81/11/519998111.db2.gz HNSFEKLIENHSGX-CYBMUJFWSA-N 2 0 277.416 1.507 10 0 CDAERP CC[NH2+]Cc1cccc(C[NH+](CCOC)CCOC)c1 ZINC000052571379 520003135 /nfs/dbraw/zinc/00/31/35/520003135.db2.gz FNJYNEBFRSPNFF-UHFFFAOYSA-N 2 0 280.412 1.891 10 0 CDAERP CC[NH2+]Cc1cccc(OCCN2CCC[N@H+](C)CC2)c1 ZINC000052424247 520006335 /nfs/dbraw/zinc/00/63/35/520006335.db2.gz KMNQABSJKHJPCN-UHFFFAOYSA-N 2 0 291.439 1.812 10 0 CDAERP CC[NH2+]Cc1ccoc1C[N@H+](CCOC)[C@@H](C)COC ZINC000052572314 520011487 /nfs/dbraw/zinc/01/14/87/520011487.db2.gz ZRHYKQJQQAJJTH-ZDUSSCGKSA-N 2 0 284.400 1.872 10 0 CDAERP CCCN[C@@](C)(C[N@H+](C)CC1CC[NH+](C)CC1)C(=O)OC ZINC000063121776 520036708 /nfs/dbraw/zinc/03/67/08/520036708.db2.gz NOQJASMAUWJMNS-INIZCTEOSA-N 2 0 299.459 1.191 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC000061274071 520061286 /nfs/dbraw/zinc/06/12/86/520061286.db2.gz SLEQQDQQPJXWKQ-LBPRGKRZSA-N 2 0 255.406 1.317 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000061272788 520062001 /nfs/dbraw/zinc/06/20/01/520062001.db2.gz NEJAICALWKCDDO-AWEZNQCLSA-N 2 0 283.460 1.953 10 0 CDAERP CCC[NH2+][C@](CO)(CN(C)CC1CC[NH+](C)CC1)C1CC1 ZINC000070336703 520121016 /nfs/dbraw/zinc/12/10/16/520121016.db2.gz HFOPCWZDPBPPQI-KRWDZBQOSA-N 2 0 297.487 1.401 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)NC[C@@H](C(CC)CC)[NH+](C)C ZINC000061273745 520165521 /nfs/dbraw/zinc/16/55/21/520165521.db2.gz NHVFLNVGWZAAFS-OCCSQVGLSA-N 2 0 271.449 1.857 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@H]1[C@@H](C)CCC[C@@H]1[NH3+] ZINC000055123424 520617753 /nfs/dbraw/zinc/61/77/53/520617753.db2.gz FHGBOCBTECYDHJ-IHRRRGAJSA-N 2 0 269.433 1.598 10 0 CDAERP CC1CCC(C[NH3+])(N2CCC[C@H]2C[NH+](C)C)CC1 ZINC000061643052 520915849 /nfs/dbraw/zinc/91/58/49/520915849.db2.gz VSJHOFAPBANZIK-SLTAFYQDSA-N 2 0 253.434 1.920 10 0 CDAERP CCC[C@@]1(C(=O)NCC(C)(C)[NH+](C)C)CC[NH2+]C1 ZINC000062899412 520942484 /nfs/dbraw/zinc/94/24/84/520942484.db2.gz KREUHGLLXCPSIA-CQSZACIVSA-N 2 0 255.406 1.223 10 0 CDAERP CC[N@H+](CCNC(=O)c1ccc(C[NH+](C)C)nc1)C1CC1 ZINC000339268671 521072263 /nfs/dbraw/zinc/07/22/63/521072263.db2.gz BLPLAHYHSCFMIS-UHFFFAOYSA-N 2 0 290.411 1.357 10 0 CDAERP CCCC[C@H](CC)CC[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000339413481 521168727 /nfs/dbraw/zinc/16/87/27/521168727.db2.gz OBAFASOFRKMEPV-HNNXBMFYSA-N 2 0 283.460 1.957 10 0 CDAERP CC[NH+]1CCC(C[NH3+])(N2C[C@@H](C)OC(C)(C)C2)CC1 ZINC000045664735 521549052 /nfs/dbraw/zinc/54/90/52/521549052.db2.gz SFZOGHVRKBYBLV-CYBMUJFWSA-N 2 0 269.433 1.299 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]([NH3+])CC[C@@H]2C)CC1 ZINC000055140060 521550555 /nfs/dbraw/zinc/55/05/55/521550555.db2.gz SLBZBLDMVNTZAD-AEGPPILISA-N 2 0 281.444 1.598 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000055087670 521555966 /nfs/dbraw/zinc/55/59/66/521555966.db2.gz UECNOVABZXRXGF-KBPBESRZSA-N 2 0 267.417 1.447 10 0 CDAERP CCOC1CC[NH+](Cc2cccnc2C(N)=[NH2+])CC1 ZINC000061658080 521656696 /nfs/dbraw/zinc/65/66/96/521656696.db2.gz GJISDYQJAVCXHZ-UHFFFAOYSA-N 2 0 262.357 1.367 10 0 CDAERP CCC1(C(=O)NCCC[NH+]2CCCCC2)CC[NH2+]CC1 ZINC000062848029 521666972 /nfs/dbraw/zinc/66/69/72/521666972.db2.gz KCLLHNHYWLWXGK-UHFFFAOYSA-N 2 0 281.444 1.758 10 0 CDAERP CC[NH+]1CCN(Cc2ccoc2C[NH2+]C(C)C)CC1 ZINC000052422359 521688578 /nfs/dbraw/zinc/68/85/78/521688578.db2.gz UFOUJRNQLBKZJQ-UHFFFAOYSA-N 2 0 265.401 1.915 10 0 CDAERP CC[NH+]1CCN([C@@H](C[NH3+])c2ccc(F)cc2C)CC1 ZINC000050578228 521691834 /nfs/dbraw/zinc/69/18/34/521691834.db2.gz VAVVHDPMPYRSRB-HNNXBMFYSA-N 2 0 265.376 1.771 10 0 CDAERP C[NH+](C)CCN1CCN(C2(C[NH3+])CCCCCCC2)CC1 ZINC000061643182 521761998 /nfs/dbraw/zinc/76/19/98/521761998.db2.gz LEGDBTYFGVXOBM-UHFFFAOYSA-N 2 0 296.503 1.607 10 0 CDAERP C[NH2+]C[C@@H]1CC[C@@H](C[NH+]2CCC(COC)CC2)O1 ZINC000070082931 522060223 /nfs/dbraw/zinc/06/02/23/522060223.db2.gz NXVBAHDCJOUJPH-KBPBESRZSA-N 2 0 256.390 1.112 10 0 CDAERP C[NH2+]C[C@H](c1ccccc1)N(C)C1CC[NH+](C)CC1 ZINC000052419943 522078599 /nfs/dbraw/zinc/07/85/99/522078599.db2.gz UOUGDVNPNBTQGL-MRXNPFEDSA-N 2 0 261.413 1.973 10 0 CDAERP C[NH2+]Cc1cc(CN2CCC([NH+]3CCCCC3)CC2)on1 ZINC000052484211 522106032 /nfs/dbraw/zinc/10/60/32/522106032.db2.gz MMPVRZCSZIOHSN-UHFFFAOYSA-N 2 0 292.427 1.844 10 0 CDAERP C[NH2+]Cc1ccc(CN2CCC([NH+](C)C)CC2)cc1 ZINC000052477762 522117746 /nfs/dbraw/zinc/11/77/46/522117746.db2.gz DRBOQNAQVAFUOV-UHFFFAOYSA-N 2 0 261.413 1.932 10 0 CDAERP C[NH2+]Cc1ccc(OCCN2CCC([NH+](C)C)CC2)cc1 ZINC000052477680 522123229 /nfs/dbraw/zinc/12/32/29/522123229.db2.gz ZUUARMOIIWKXRN-UHFFFAOYSA-N 2 0 291.439 1.811 10 0 CDAERP C[NH2+]Cc1cnc(N2CC[NH+](C(C)C)CC2)s1 ZINC000054903664 522147376 /nfs/dbraw/zinc/14/73/76/522147376.db2.gz MSZCSMUYRBNAAR-UHFFFAOYSA-N 2 0 254.403 1.393 10 0 CDAERP C[NH2+][C@H]1CCCCC[C@@H]1N1CCN(CC[NH+](C)C)CC1 ZINC000061643837 522491147 /nfs/dbraw/zinc/49/11/47/522491147.db2.gz PMQDEZULVFWOIV-HOTGVXAUSA-N 2 0 282.476 1.086 10 0 CDAERP C[NH2+][C@H]1CCC[C@H]1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062970690 522499020 /nfs/dbraw/zinc/49/90/20/522499020.db2.gz WOUMZNCZWQIINY-JYJNAYRXSA-N 2 0 265.445 1.935 10 0 CDAERP C[NH2+][C@H]1COc2cc(OCC[NH+]3CCCC3)ccc21 ZINC000062804166 522507351 /nfs/dbraw/zinc/50/73/51/522507351.db2.gz XIMNAPCJZFTQFA-AWEZNQCLSA-N 2 0 262.353 1.814 10 0 CDAERP C[N@H+](CCc1ccncc1)Cc1cccnc1C[NH3+] ZINC000061656641 522978523 /nfs/dbraw/zinc/97/85/23/522978523.db2.gz HTDVLONMGOHZIX-UHFFFAOYSA-N 2 0 256.353 1.610 10 0 CDAERP CC[C@H]1CC[C@H]([NH3+])[C@H](N2CCN(CC[NH+](C)C)CC2)C1 ZINC000061643875 523205225 /nfs/dbraw/zinc/20/52/25/523205225.db2.gz ROWVKALLDWSOLB-HRCADAONSA-N 2 0 282.476 1.072 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)C2(C[NH3+])CCCC2)CC1 ZINC000055071187 523947939 /nfs/dbraw/zinc/94/79/39/523947939.db2.gz WYKOZTYSKTXDBI-ZDUSSCGKSA-N 2 0 267.417 1.448 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)[C@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000055077876 523949949 /nfs/dbraw/zinc/94/99/49/523949949.db2.gz ADVBHAVSZNKZDJ-YHUYYLMFSA-N 2 0 293.455 1.850 10 0 CDAERP CC[C@H](C)[NH+]1CCN(c2cccc(C[NH2+]C)n2)CC1 ZINC000055073532 523960314 /nfs/dbraw/zinc/96/03/14/523960314.db2.gz OAJVAGYVRTWUCM-ZDUSSCGKSA-N 2 0 262.401 1.722 10 0 CDAERP C[C@H]1CCC[C@@H](C(=O)NCCC[NH+]2CCCC2)[NH2+]1 ZINC000062080874 524126427 /nfs/dbraw/zinc/12/64/27/524126427.db2.gz IGRWBUPICAECLO-STQMWFEESA-N 2 0 253.390 1.119 10 0 CDAERP C[C@@H]1CCC[C@@](C[NH3+])(N2CCN(CC[NH+](C)C)CC2)[C@@H]1C ZINC000068629359 524337200 /nfs/dbraw/zinc/33/72/00/524337200.db2.gz YNANAZPCHVFACP-ZACQAIPSSA-N 2 0 296.503 1.319 10 0 CDAERP C[C@H](CNC(=O)CCC1CCC([NH3+])CC1)[NH+](C)C ZINC000055135907 524377552 /nfs/dbraw/zinc/37/75/52/524377552.db2.gz FFDHXGAMUZBKCK-PNESKVBLSA-N 2 0 255.406 1.350 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)C[C@H]1CCCC[NH2+]1 ZINC000049502512 524602572 /nfs/dbraw/zinc/60/25/72/524602572.db2.gz JTWGIASLLMICHJ-UONOGXRCSA-N 2 0 267.417 1.509 10 0 CDAERP C[C@@H](CNC(=O)C1(C[NH3+])CCCCC1)C[NH+]1CCCC1 ZINC000062073556 524643315 /nfs/dbraw/zinc/64/33/15/524643315.db2.gz FUUUYZMOLINXPL-AWEZNQCLSA-N 2 0 281.444 1.744 10 0 CDAERP Cc1cc(CN2CC[NH+](C(C)C)CC2)oc1C[NH3+] ZINC000052480068 524694713 /nfs/dbraw/zinc/69/47/13/524694713.db2.gz VVUZKLNXXVBYIK-UHFFFAOYSA-N 2 0 251.374 1.573 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000227456532 525086667 /nfs/dbraw/zinc/08/66/67/525086667.db2.gz RPTDAADFDFWCBG-NFAWXSAZSA-N 2 0 265.401 1.071 10 0 CDAERP C[C@@H]1C[C@@H]([NH3+])CC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC000055138681 525248194 /nfs/dbraw/zinc/24/81/94/525248194.db2.gz PYOMFYYEQOEXEF-RFGFWPKPSA-N 2 0 267.417 1.350 10 0 CDAERP O=C(CC[C@@H]1CCCC[NH2+]1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062942917 526547519 /nfs/dbraw/zinc/54/75/19/526547519.db2.gz JEIVQZUKVGWXOJ-LSDHHAIUSA-N 2 0 279.428 1.605 10 0 CDAERP NC(=[NH2+])c1cc(C[N@@H+]2CCCC[C@@H]2CCO)ccn1 ZINC000068761034 526819542 /nfs/dbraw/zinc/81/95/42/526819542.db2.gz QNWIORDJQUGRFP-GFCCVEGCSA-N 2 0 262.357 1.103 10 0 CDAERP COc1ccc(C[C@@H](C)[NH2+]CCCC[NH+](C)C)cn1 ZINC000414071950 536500661 /nfs/dbraw/zinc/50/06/61/536500661.db2.gz LDCDWFIQIFHVNX-CYBMUJFWSA-N 2 0 265.401 1.953 10 0 CDAERP Cc1nc(N2CCC[N@@H+](C)CC2)sc1C[NH2+]C1CC1 ZINC000054968951 526964029 /nfs/dbraw/zinc/96/40/29/526964029.db2.gz ABTDEFSSGLLFJM-UHFFFAOYSA-N 2 0 280.441 1.845 10 0 CDAERP [NH3+]CC[C@H]1CCC[C@@H](C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000055163042 527195694 /nfs/dbraw/zinc/19/56/94/527195694.db2.gz YEYMFGOOYYHOCD-FPCVCCKLSA-N 2 0 293.455 1.885 10 0 CDAERP O[C@@H]1CC[N@H+](CC2(C[NH2+]C3CC3)CCCCC2)C1 ZINC000061711764 527673885 /nfs/dbraw/zinc/67/38/85/527673885.db2.gz LFPUQOAVPILYLB-CQSZACIVSA-N 2 0 252.402 1.756 10 0 CDAERP CCN(C)C(=O)CC[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000153534268 529115414 /nfs/dbraw/zinc/11/54/14/529115414.db2.gz SYTAVUBANQZEFT-KGLIPLIRSA-N 2 0 269.433 1.517 10 0 CDAERP CCC(CC)[C@H](CNC(=O)[C@H](C)[C@@H](C)[NH3+])[NH+]1CCCC1 ZINC000192092742 535144181 /nfs/dbraw/zinc/14/41/81/535144181.db2.gz CYZRXCBIMBMUOR-NFAWXSAZSA-N 2 0 283.460 1.987 10 0 CDAERP CCC[NH+]1CCC(C[NH2+]CC2(OC)CCOCC2)CC1 ZINC000428849565 535352863 /nfs/dbraw/zinc/35/28/63/535352863.db2.gz LXTVOPFJXSBZKL-UHFFFAOYSA-N 2 0 284.444 1.894 10 0 CDAERP C[NH+](C)CCN(C(=O)[C@@H]1CC[C@H]([NH3+])C1)C1CCCC1 ZINC000091548372 535845208 /nfs/dbraw/zinc/84/52/08/535845208.db2.gz CFFRBNZXQPYKMN-OLZOCXBDSA-N 2 0 267.417 1.447 10 0 CDAERP C[NH+](C)CCN(C(=O)[C@H]1CC[C@H]([NH3+])C1)C1CCCC1 ZINC000091548375 535845878 /nfs/dbraw/zinc/84/58/78/535845878.db2.gz CFFRBNZXQPYKMN-STQMWFEESA-N 2 0 267.417 1.447 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CC1(N(C)C)CCCCC1 ZINC000234713191 536593531 /nfs/dbraw/zinc/59/35/31/536593531.db2.gz DOQIFLOBUPMYBZ-CQSZACIVSA-N 2 0 271.449 1.594 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCCO[C@@H]1C(C)C ZINC000422920285 536850929 /nfs/dbraw/zinc/85/09/29/536850929.db2.gz MEJAEVHHRRTCAD-SOUVJXGZSA-N 2 0 272.433 1.781 10 0 CDAERP [NH3+]C1(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CCCC1 ZINC000662865706 545498185 /nfs/dbraw/zinc/49/81/85/545498185.db2.gz ZUHYBSGUOGRQSK-AVGNSLFASA-N 2 0 265.401 1.295 10 0 CDAERP Cc1cc(=O)[nH]c(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)n1 ZINC000766991144 576152173 /nfs/dbraw/zinc/15/21/73/576152173.db2.gz WYTHTXKWNOHAPS-CHWSQXEVSA-N 2 0 276.384 1.407 10 0 CDAERP CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001688889276 1175054159 /nfs/dbraw/zinc/05/41/59/1175054159.db2.gz XMLQOMPNYBUQEN-KBPBESRZSA-N 2 0 267.417 1.271 10 0 CDAERP C[N@@H+](C/C=C\Cl)CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001689876351 1175292126 /nfs/dbraw/zinc/29/21/26/1175292126.db2.gz WTDGEUMVZNYCBC-ACVFHECNSA-N 2 0 287.835 1.519 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)[C@@H](C)COC ZINC001689939287 1175317560 /nfs/dbraw/zinc/31/75/60/1175317560.db2.gz NIUSYDGMGKAHKB-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NCCC[NH+](CC2CCC2)C2CC2)C1 ZINC001690014624 1175346555 /nfs/dbraw/zinc/34/65/55/1175346555.db2.gz KKKSZXNJHUQUFI-HNNXBMFYSA-N 2 0 293.455 1.709 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]([NH2+]CCCCCF)C2)C1 ZINC001690255487 1175412208 /nfs/dbraw/zinc/41/22/08/1175412208.db2.gz OYSIVUKXGIPYEO-CABCVRRESA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)n1cc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)nn1 ZINC000926667320 617426884 /nfs/dbraw/zinc/42/68/84/617426884.db2.gz YREUIBZHTOQPBQ-UPJWGTAASA-N 2 0 265.405 1.850 10 0 CDAERP COCCOCCC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925518538 617428182 /nfs/dbraw/zinc/42/81/82/617428182.db2.gz JCEUSLMTDKNXDO-STQMWFEESA-N 2 0 258.406 1.535 10 0 CDAERP COCCOCCC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925518523 617428491 /nfs/dbraw/zinc/42/84/91/617428491.db2.gz JCEUSLMTDKNXDO-CHWSQXEVSA-N 2 0 258.406 1.535 10 0 CDAERP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@@H]3CCC4(COC4)O3)C2)C1 ZINC000930577018 617449113 /nfs/dbraw/zinc/44/91/13/617449113.db2.gz OWNYVVMXZDWTCN-LSDHHAIUSA-N 2 0 280.412 1.352 10 0 CDAERP C[NH+](C)[C@@]1(CN[C@H]2CC[NH2+]C23CCC3)CCSC1 ZINC000925532779 617466229 /nfs/dbraw/zinc/46/62/29/617466229.db2.gz YHMHWZPSDPDNPY-QWHCGFSZSA-N 2 0 269.458 1.298 10 0 CDAERP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@@H]1CC[N@H+](CC3CC3)C1)[NH2+]2 ZINC000925558705 617509479 /nfs/dbraw/zinc/50/94/79/617509479.db2.gz VQHQGDFHZXOTLD-ZIRHEVKLSA-N 2 0 263.429 1.589 10 0 CDAERP C[C@](O)(C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)c1ccsc1 ZINC000925623141 617570245 /nfs/dbraw/zinc/57/02/45/617570245.db2.gz PAZKIDIHKNQBKH-UPJWGTAASA-N 2 0 266.410 1.815 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](CO)c2ccc(F)cc2)C12CCC2 ZINC000925692763 617698569 /nfs/dbraw/zinc/69/85/69/617698569.db2.gz QQZIVEORMPMSSW-YUELXQCFSA-N 2 0 278.371 1.761 10 0 CDAERP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925813012 617758398 /nfs/dbraw/zinc/75/83/98/617758398.db2.gz QSGYQTXRDUOODP-WMLDXEAASA-N 2 0 291.439 1.775 10 0 CDAERP C[C@H]1CCC[N@@H+]1CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000811172374 617959457 /nfs/dbraw/zinc/95/94/57/617959457.db2.gz VRBFWPMEISFZOR-BBRMVZONSA-N 2 0 299.434 1.799 10 0 CDAERP O[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)C1CCC1 ZINC000925694573 617711783 /nfs/dbraw/zinc/71/17/83/617711783.db2.gz UTMMSMUHPXFFGR-ARFHVFGLSA-N 2 0 266.429 1.905 10 0 CDAERP CC1(C)[C@H]([NH2+][C@@H]2CCC[C@H](CO)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925695622 617718342 /nfs/dbraw/zinc/71/83/42/617718342.db2.gz XIBPFXQWOGBUJS-VYDRJRHOSA-N 2 0 266.429 1.904 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1COC2(CCCCC2)O1 ZINC000925700611 617744995 /nfs/dbraw/zinc/74/49/95/617744995.db2.gz VUOOSSPEQULENP-QGPPMGRFSA-N 2 0 294.439 1.992 10 0 CDAERP C[C@H]([NH2+]Cc1c[nH]c(=O)c2ccccc12)C1C[NH2+]C1 ZINC000925812269 617756734 /nfs/dbraw/zinc/75/67/34/617756734.db2.gz KYOYNIIKZRRHRW-JTQLQIEISA-N 2 0 257.337 1.638 10 0 CDAERP CC(C)CO[C@@H]1C[C@@H]([NH2+]CCN2CCC([NH3+])CC2)C1(C)C ZINC000925813358 617759681 /nfs/dbraw/zinc/75/96/81/617759681.db2.gz UHOOMXDTSYPVJO-HZPDHXFCSA-N 2 0 297.487 1.839 10 0 CDAERP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc[nH]c3)C2)[C@H]1C(C)C ZINC000888097849 617761114 /nfs/dbraw/zinc/76/11/14/617761114.db2.gz QKZASPXTVVSTCG-QBPKDAKJSA-N 2 0 291.439 1.974 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCCCS(C)(=O)=O)C1 ZINC000925706146 617789767 /nfs/dbraw/zinc/78/97/67/617789767.db2.gz MELDSYUARQMNRG-RYUDHWBXSA-N 2 0 276.446 1.307 10 0 CDAERP Cn1nnc2c1CC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)C2 ZINC000925714726 617827125 /nfs/dbraw/zinc/82/71/25/617827125.db2.gz VQLLGHCOSFXEPV-WOPDTQHZSA-N 2 0 277.416 1.168 10 0 CDAERP FCCOCC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925716536 617835114 /nfs/dbraw/zinc/83/51/14/617835114.db2.gz OTBHFGMZWGWCRQ-KGLIPLIRSA-N 2 0 258.381 1.730 10 0 CDAERP Cc1noc([C@@H]2OCC[C@@H]2[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)n1 ZINC000925719825 617843693 /nfs/dbraw/zinc/84/36/93/617843693.db2.gz USZJEOGAYZIDMO-FVCCEPFGSA-N 2 0 294.399 1.704 10 0 CDAERP C[C@@H]([NH2+]CCc1cnc2ccccc2c1)C1C[NH2+]C1 ZINC000925835543 617864493 /nfs/dbraw/zinc/86/44/93/617864493.db2.gz RBZGPQDONRYWJF-GFCCVEGCSA-N 2 0 255.365 1.975 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]CCN2CCc3ccccc32)C12CCC2 ZINC000925838091 617868581 /nfs/dbraw/zinc/86/85/81/617868581.db2.gz VNFLQQMJRYPULT-HZPDHXFCSA-N 2 0 271.408 1.909 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+]CCc1cccc2c1OCCO2 ZINC000925873857 617938473 /nfs/dbraw/zinc/93/84/73/617938473.db2.gz DWMAVMDQAIYLMA-RYUDHWBXSA-N 2 0 264.369 1.716 10 0 CDAERP C[C@H]1NCCC[C@H]1[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925884454 617973261 /nfs/dbraw/zinc/97/32/61/617973261.db2.gz WXUCMNQDBHKREG-DZUCGIPZSA-N 2 0 273.424 1.776 10 0 CDAERP COC(=O)C12CC(C1)C[N@@H+]2CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923392925 618326189 /nfs/dbraw/zinc/32/61/89/618326189.db2.gz VUPFXZSYQGDNKV-VBJQFUKPSA-N 2 0 278.396 1.545 10 0 CDAERP CC(C)OCC[C@H](O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000923428089 618335987 /nfs/dbraw/zinc/33/59/87/618335987.db2.gz WDIRCTLNRVIDKF-SDDRHHMPSA-N 2 0 298.349 1.231 10 0 CDAERP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)C(C)(C)CO ZINC000924957299 618409937 /nfs/dbraw/zinc/40/99/37/618409937.db2.gz FVMQXDGTXNLFLW-AWEZNQCLSA-N 2 0 285.476 1.257 10 0 CDAERP CSC1(C[NH2+][C@@H]2COCC2(C)C)CC[NH+](C)CC1 ZINC000894793786 619066211 /nfs/dbraw/zinc/06/62/11/619066211.db2.gz IJARRIBOXOSGJS-GFCCVEGCSA-N 2 0 272.458 1.828 10 0 CDAERP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC000896632295 620173831 /nfs/dbraw/zinc/17/38/31/620173831.db2.gz YZDBIDWRWPCLCP-DZKIICNBSA-N 2 0 279.428 1.271 10 0 CDAERP CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000897634722 621041860 /nfs/dbraw/zinc/04/18/60/621041860.db2.gz NCGZISBOCVZBHK-KBPBESRZSA-N 2 0 299.459 1.068 10 0 CDAERP CN(C)[C@@H](CC[NH2+]C1[C@@H]2CC[C@H]1C[N@@H+](C)C2)C(F)(F)F ZINC000926959330 621629833 /nfs/dbraw/zinc/62/98/33/621629833.db2.gz RKZXMBSGAFQLRN-FXJUQPSGSA-N 2 0 293.377 1.799 10 0 CDAERP CCO[C@H](CN[C@H]1CC[N@H+](C)[C@@H](C)C1)C[NH+](C)C ZINC000926959407 621630972 /nfs/dbraw/zinc/63/09/72/621630972.db2.gz BSDIZDFQLLIBJV-MELADBBJSA-N 2 0 257.422 1.025 10 0 CDAERP CC[NH+](CC)CCOCCNC(=[NH2+])N[C@@H](C)C1CC1 ZINC000899271451 622136807 /nfs/dbraw/zinc/13/68/07/622136807.db2.gz YFOMHEFXESIORC-LBPRGKRZSA-N 2 0 270.421 1.257 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=[NH2+])N[C@H](C)C1CC1 ZINC000899279059 622143832 /nfs/dbraw/zinc/14/38/32/622143832.db2.gz ZXPRVSNFRZKHQS-GFCCVEGCSA-N 2 0 254.422 1.877 10 0 CDAERP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C12CC[NH+](CC1)C2 ZINC000900354343 622902282 /nfs/dbraw/zinc/90/22/82/622902282.db2.gz YRZXBHFAPJWUGA-KFWWJZLASA-N 2 0 293.455 1.565 10 0 CDAERP C([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)[C@]12C[C@H]1COC21CCC1 ZINC000902458919 624847465 /nfs/dbraw/zinc/84/74/65/624847465.db2.gz ABWUOADZGDVIDG-AHWCTLNISA-N 2 0 274.408 1.532 10 0 CDAERP CC(=O)N1CC[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)c2ccccc2C1 ZINC000902483799 624890772 /nfs/dbraw/zinc/89/07/72/624890772.db2.gz CIEGPIXCTQGSAA-FRFSOERESA-N 2 0 287.407 1.807 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN(C(=O)N3CCCCC3)CC2)C1 ZINC000903430302 625990033 /nfs/dbraw/zinc/99/00/33/625990033.db2.gz SBRKOMUBSWHRND-LSDHHAIUSA-N 2 0 294.443 1.337 10 0 CDAERP CCCNC(=O)C1([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)CCCCC1 ZINC000903441561 625993125 /nfs/dbraw/zinc/99/31/25/625993125.db2.gz YDTWYNRKDUHLTC-KGLIPLIRSA-N 2 0 281.444 1.661 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000903442256 625996981 /nfs/dbraw/zinc/99/69/81/625996981.db2.gz MQADBUAFZMTYRF-JKSUJKDBSA-N 3 0 281.444 1.158 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC(c3nnc4n3CCC4)CC2)C1 ZINC000903442493 625997219 /nfs/dbraw/zinc/99/72/19/625997219.db2.gz SQFRZIRFWBSWMH-GXTWGEPZSA-N 2 0 289.427 1.531 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000903444256 625997979 /nfs/dbraw/zinc/99/79/79/625997979.db2.gz RDBVCHKDCDRWMY-SOUVJXGZSA-N 3 0 251.418 1.532 10 0 CDAERP COc1ccccc1[C@@H]1C[NH2+]CCN1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903450355 626000497 /nfs/dbraw/zinc/00/04/97/626000497.db2.gz UPWZKBJWIPYVGY-YCPHGPKFSA-N 2 0 289.423 1.497 10 0 CDAERP COC[C@H](C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)C(C)C ZINC000903453962 626001678 /nfs/dbraw/zinc/00/16/78/626001678.db2.gz QGKKBZKSOHKYTB-GJZGRUSLSA-N 2 0 254.418 1.981 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000903455489 626001890 /nfs/dbraw/zinc/00/18/90/626001890.db2.gz WSEOZJIEOKUWNH-BNOWGMLFSA-N 2 0 289.427 1.717 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@H](C)c1ccccn1)C2 ZINC000903492423 626011182 /nfs/dbraw/zinc/01/11/82/626011182.db2.gz CNRABEVJIRMROC-IATRGZMQSA-N 2 0 289.379 1.355 10 0 CDAERP C[C@H](C(=O)NCC1CCCCC1)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496404 626011937 /nfs/dbraw/zinc/01/19/37/626011937.db2.gz MNVYQGSDIQVDNR-IIAWOOMASA-N 2 0 295.471 1.988 10 0 CDAERP [NH3+][C@H]1CN(CCCC2CC[NH2+]CC2)CC[C@@H]1C(F)(F)F ZINC000903538960 626016008 /nfs/dbraw/zinc/01/60/08/626016008.db2.gz FVTGYCAMWFJHGG-STQMWFEESA-N 2 0 293.377 1.978 10 0 CDAERP [NH3+]CCCCCCN1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903542912 626016533 /nfs/dbraw/zinc/01/65/33/626016533.db2.gz ZLEUMORRQZLTIV-QWRGUYRKSA-N 2 0 267.339 1.717 10 0 CDAERP C1=CC[C@@H]2C[N@@H+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)C[C@@H]2C1 ZINC000903777381 626090437 /nfs/dbraw/zinc/09/04/37/626090437.db2.gz ATUVNWHISCKHLB-QXSJWSMHSA-N 2 0 262.397 1.653 10 0 CDAERP COCC[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)CC(C)C ZINC000903884565 626132790 /nfs/dbraw/zinc/13/27/90/626132790.db2.gz CUZKDDUHGLGDIR-CQSZACIVSA-N 2 0 295.431 1.307 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)CC2CC2)cnn1C ZINC000903886840 626133716 /nfs/dbraw/zinc/13/37/16/626133716.db2.gz UGSDADSVEFMBET-ZDUSSCGKSA-N 2 0 250.390 1.188 10 0 CDAERP CC[C@]1(C)CC[N@H+](C[C@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903908931 626143127 /nfs/dbraw/zinc/14/31/27/626143127.db2.gz BGAKVACTGXUDPB-GOEBONIOSA-N 2 0 278.444 1.968 10 0 CDAERP CC[C@@H]1[C@@H](C)CC[N@@H+]1C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903913887 626146020 /nfs/dbraw/zinc/14/60/20/626146020.db2.gz FIWLNOHEVDAVAQ-DUVNUKRYSA-N 2 0 278.444 1.966 10 0 CDAERP c1csc(CC[NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)c1 ZINC000903925161 626148857 /nfs/dbraw/zinc/14/88/57/626148857.db2.gz LERRUZKRPOOIIB-GFCCVEGCSA-N 2 0 291.424 1.596 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[NH2+]CCCOC(C)C)cnn1C ZINC000903925178 626148877 /nfs/dbraw/zinc/14/88/77/626148877.db2.gz LLHQFIQKVFUTHA-AWEZNQCLSA-N 2 0 282.432 1.251 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[NH2+]Cc2cccnc2C)cnn1C ZINC000903933931 626152907 /nfs/dbraw/zinc/15/29/07/626152907.db2.gz BHIMTMUASDSORD-AWEZNQCLSA-N 2 0 287.411 1.339 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000903937259 626155464 /nfs/dbraw/zinc/15/54/64/626155464.db2.gz GOAJRDXHMDYLME-CABCVRRESA-N 2 0 276.428 1.966 10 0 CDAERP COC(=O)[C@]12CCC[C@H]1C[N@H+](C[C@H]([NH3+])CC(C)C)C2 ZINC000903939777 626161198 /nfs/dbraw/zinc/16/11/98/626161198.db2.gz MGVZBTSIMBOONE-GUTXKFCHSA-N 2 0 268.401 1.635 10 0 CDAERP COC(=O)c1cc(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c[nH]1 ZINC000903974821 626169101 /nfs/dbraw/zinc/16/91/01/626169101.db2.gz TVEDNEQAHMUTKT-ZYHUDNBSSA-N 2 0 265.357 1.137 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000903978269 626170090 /nfs/dbraw/zinc/17/00/90/626170090.db2.gz CRZYJRWSTGPVJM-KJWHEZOQSA-N 3 0 251.418 1.210 10 0 CDAERP Cc1cccn2c(C[NH2+]C[C@@H]3C[NH2+]C[C@H]3C)cnc12 ZINC000903964245 626171013 /nfs/dbraw/zinc/17/10/13/626171013.db2.gz GFQGQLPUDDQDRB-OLZOCXBDSA-N 2 0 258.369 1.588 10 0 CDAERP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903964937 626171846 /nfs/dbraw/zinc/17/18/46/626171846.db2.gz YFTWZJJMVISNJQ-WISYIIOYSA-N 2 0 290.354 1.551 10 0 CDAERP C[C@@H]1C[C@@H](C[NH+]2CCC([C@]3(C)COC(=O)N3)CC2)CC[NH2+]1 ZINC000903986521 626174439 /nfs/dbraw/zinc/17/44/39/626174439.db2.gz LKYWYDAXZDZMIF-WWGRRREGSA-N 2 0 295.427 1.585 10 0 CDAERP CC[C@@H]1C[C@H](C[NH2+][C@H]2CC23CC[NH2+]CC3)CCO1 ZINC000841079840 626195777 /nfs/dbraw/zinc/19/57/77/626195777.db2.gz PKCKZSVMFMJHBU-MCIONIFRSA-N 2 0 252.402 1.923 10 0 CDAERP [NH3+]Cc1ccc(-c2noc(CC3CC([NH3+])C3)n2)cc1 ZINC000905307579 626757587 /nfs/dbraw/zinc/75/75/87/626757587.db2.gz PNIIGBBWKRISAX-UHFFFAOYSA-N 2 0 258.325 1.475 10 0 CDAERP CN(CCC[NH+]1CCCC1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000907960428 627927557 /nfs/dbraw/zinc/92/75/57/627927557.db2.gz UHVNVRDHAKPNNL-JKSUJKDBSA-N 2 0 293.455 1.948 10 0 CDAERP C[NH+](C)C1(CNC(=O)NCC[N@@H+](C)C2CCCCC2)CC1 ZINC000915647636 631782546 /nfs/dbraw/zinc/78/25/46/631782546.db2.gz CIBBIXRCGLVSJO-UHFFFAOYSA-N 2 0 296.459 1.644 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC000915679565 631796487 /nfs/dbraw/zinc/79/64/87/631796487.db2.gz ZOSSBHATMLFTQO-CQSZACIVSA-N 2 0 282.432 1.112 10 0 CDAERP C[C@@H](CNC(=O)N[C@H]1CCC[N@H+](C)C1)[NH+]1CCCCC1 ZINC000919654525 632648579 /nfs/dbraw/zinc/64/85/79/632648579.db2.gz NPOJDJLSYBXKSK-KBPBESRZSA-N 2 0 282.432 1.254 10 0 CDAERP CC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@@H]1CC ZINC001670594600 1158655099 /nfs/dbraw/zinc/65/50/99/1158655099.db2.gz CMXDFMOTUDWXCK-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP c1[nH]nc2c1cccc2C[NH2+]CCCC[NH+]1CCOCC1 ZINC000084015219 1158949985 /nfs/dbraw/zinc/94/99/85/1158949985.db2.gz VEOFEFIRQDWLFE-UHFFFAOYSA-N 2 0 288.395 1.765 10 0 CDAERP CC1CC(C[NH2+]CCN(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001267391065 1159367644 /nfs/dbraw/zinc/36/76/44/1159367644.db2.gz AALKZPMBYLWRDD-YMAMQOFZSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)c1nccn1CC(=O)N[C@H](C)C[NH2+]CC[C@H](C)F ZINC001268665113 1160002205 /nfs/dbraw/zinc/00/22/05/1160002205.db2.gz ZWDPDPCHTRABRQ-QWHCGFSZSA-N 2 0 298.406 1.849 10 0 CDAERP Cc1nocc1CN(C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001485285231 1161273965 /nfs/dbraw/zinc/27/39/65/1161273965.db2.gz AUIXPIKWLNQHFY-FZMZJTMJSA-N 2 0 294.399 1.014 10 0 CDAERP CC(C)C[C@H](C)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870019629 1165133176 /nfs/dbraw/zinc/13/31/76/1165133176.db2.gz LDHDVXULSBDYGJ-ARFHVFGLSA-N 2 0 297.487 1.866 10 0 CDAERP C[N@@H+]1CC[C@H]2CN(C(=O)[C@@H]3C[C@H]3C3CC[NH2+]CC3)CC[C@H]21 ZINC000870981006 1165246808 /nfs/dbraw/zinc/24/68/08/1165246808.db2.gz FEZNGXITVOVCIS-CAOSSQGBSA-N 2 0 291.439 1.175 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NCCCC[N@H+](C)C1CC1 ZINC001629430112 1166138782 /nfs/dbraw/zinc/13/87/82/1166138782.db2.gz MICFYHXGGOWKHC-CYBMUJFWSA-N 2 0 269.433 1.565 10 0 CDAERP C[NH+](C)CCONC(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC001637992250 1166811481 /nfs/dbraw/zinc/81/14/81/1166811481.db2.gz CGVJZGQORPWLQD-UHFFFAOYSA-N 2 0 281.356 1.098 10 0 CDAERP COCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@@H](C)C1 ZINC001671233105 1168427236 /nfs/dbraw/zinc/42/72/36/1168427236.db2.gz USNHETPHOQYIHS-KBPBESRZSA-N 2 0 297.443 1.086 10 0 CDAERP C[C@@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CCCF ZINC001567230334 1168631823 /nfs/dbraw/zinc/63/18/23/1168631823.db2.gz FQIMOJMNXUPWAK-OLZOCXBDSA-N 2 0 273.396 1.172 10 0 CDAERP CC[NH+](CC)CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001567347049 1168693935 /nfs/dbraw/zinc/69/39/35/1168693935.db2.gz NQCOHJYJZUECQQ-KGLIPLIRSA-N 2 0 267.417 1.461 10 0 CDAERP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000063125973 1169100273 /nfs/dbraw/zinc/10/02/73/1169100273.db2.gz PFJLLXLHMXOJJD-ZIAGYGMSSA-N 2 0 267.417 1.304 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001571393230 1170407545 /nfs/dbraw/zinc/40/75/45/1170407545.db2.gz LGNUDKTTXOXSHG-LSDHHAIUSA-N 2 0 281.444 1.873 10 0 CDAERP CC[NH2+][C@H]1CCCCCN(C(=O)CC[NH+](C)C)C1 ZINC001656900115 1171895729 /nfs/dbraw/zinc/89/57/29/1171895729.db2.gz YIOVTTVXOMPADH-ZDUSSCGKSA-N 2 0 255.406 1.319 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N(C)CCCC[NH+](C)C ZINC001586665065 1172953904 /nfs/dbraw/zinc/95/39/04/1172953904.db2.gz YKVJRYJCSWFNQX-CYBMUJFWSA-N 2 0 257.422 1.374 10 0 CDAERP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]CCCF ZINC001667197048 1173243296 /nfs/dbraw/zinc/24/32/96/1173243296.db2.gz GFWIJPPGENJUSX-STQMWFEESA-N 2 0 273.396 1.124 10 0 CDAERP CC[C@@H](C(=O)NC/C=C/C[NH2+]Cc1cncs1)[NH+](C)C ZINC001669047184 1173497096 /nfs/dbraw/zinc/49/70/96/1173497096.db2.gz WPLKMXRSZFZIMK-GFUIURDCSA-N 2 0 296.440 1.245 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]C[C@@H](C)OC ZINC001669206607 1173516628 /nfs/dbraw/zinc/51/66/28/1173516628.db2.gz GIKFHUIRPZJTQM-WLBISTCBSA-N 2 0 297.443 1.158 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001691752919 1174055205 /nfs/dbraw/zinc/05/52/05/1174055205.db2.gz UNDANWBJMOOABR-GASCZTMLSA-N 2 0 279.428 1.533 10 0 CDAERP CCC[NH2+]C[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001675786440 1174149149 /nfs/dbraw/zinc/14/91/49/1174149149.db2.gz RVTDSYFPZUISED-JOCQHMNTSA-N 2 0 255.406 1.223 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001676970880 1174302646 /nfs/dbraw/zinc/30/26/46/1174302646.db2.gz RSUKICWTFFBXRR-KGLIPLIRSA-N 2 0 269.433 1.613 10 0 CDAERP CCC[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001690577608 1175508806 /nfs/dbraw/zinc/50/88/06/1175508806.db2.gz SWMPLVDUYOBFJI-RWMBFGLXSA-N 2 0 255.406 1.221 10 0 CDAERP CC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@H]1C ZINC001692240251 1175711840 /nfs/dbraw/zinc/71/18/40/1175711840.db2.gz BGAAYJGMYHXGCC-CABCVRRESA-N 2 0 281.444 1.851 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CC[N@@H+](C[C@@H](C)CC)C1)[NH+](C)C ZINC001692404842 1175762526 /nfs/dbraw/zinc/76/25/26/1175762526.db2.gz FGCXYUNSZHCZTQ-MELADBBJSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)C[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001698667657 1175891454 /nfs/dbraw/zinc/89/14/54/1175891454.db2.gz IXPVWULPKFZXNX-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP CC[NH2+]CC[C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001698683573 1175893630 /nfs/dbraw/zinc/89/36/30/1175893630.db2.gz QPMOEVSQSQXFIW-LSDHHAIUSA-N 2 0 281.444 1.566 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CC[NH2+]C(C)C)CC[N@@H+]1C ZINC001699102561 1176093673 /nfs/dbraw/zinc/09/36/73/1176093673.db2.gz NWPLRWKFJJFTTN-HZSPNIEDSA-N 2 0 269.433 1.610 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001699372594 1176327130 /nfs/dbraw/zinc/32/71/30/1176327130.db2.gz CAAPDTMLGSAALE-CHWSQXEVSA-N 2 0 269.433 1.611 10 0 CDAERP CN(CCC[NH2+]CCC1CC1)C(=O)C1([NH+](C)C)CCC1 ZINC001699510661 1176456751 /nfs/dbraw/zinc/45/67/51/1176456751.db2.gz YDXRVNTZMNFVPM-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)[NH2+][C@H](C)[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001700405872 1176909746 /nfs/dbraw/zinc/90/97/46/1176909746.db2.gz UEHAZVGNUAMXFY-CHWSQXEVSA-N 2 0 267.417 1.506 10 0 CDAERP C[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)CC1CCCC1 ZINC001707419263 1178032990 /nfs/dbraw/zinc/03/29/90/1178032990.db2.gz YVLVTAPTHCYYEW-UHFFFAOYSA-N 2 0 293.455 1.711 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001713535868 1178631400 /nfs/dbraw/zinc/63/14/00/1178631400.db2.gz LBQFGAXNKMXDKY-KBPBESRZSA-N 2 0 269.433 1.422 10 0 CDAERP CCC[N@H+](CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001713688826 1178710564 /nfs/dbraw/zinc/71/05/64/1178710564.db2.gz IAZROPKCOHESOS-INIZCTEOSA-N 2 0 295.471 1.955 10 0 CDAERP CC/C=C/CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001714017842 1178931107 /nfs/dbraw/zinc/93/11/07/1178931107.db2.gz GRWMISNKSXVSLG-BYOPPYECSA-N 2 0 279.428 1.531 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CCC[C@H]([N@H+](C)CCF)C1 ZINC001714454914 1179146710 /nfs/dbraw/zinc/14/67/10/1179146710.db2.gz SBDOLESDRYEUPM-AWEZNQCLSA-N 2 0 287.423 1.611 10 0 CDAERP CC[C@H](C)C[NH2+]CCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001714722983 1179359258 /nfs/dbraw/zinc/35/92/58/1179359258.db2.gz JBNLBVYXQBIBKN-HNNXBMFYSA-N 2 0 295.471 1.957 10 0 CDAERP CN(CC[NH2+]Cc1ccccc1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001714780332 1179395504 /nfs/dbraw/zinc/39/55/04/1179395504.db2.gz JQPFMFCIYLHIBH-MRXNPFEDSA-N 2 0 289.423 1.576 10 0 CDAERP C[C@@H](C[NH2+]CCC(C)(C)C)N(C)C(=O)C[NH+]1CCCC1 ZINC001714859877 1179425708 /nfs/dbraw/zinc/42/57/08/1179425708.db2.gz AKCSXVVCFCHMJZ-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)[NH2+]CC=C(C)C ZINC001715061237 1179535173 /nfs/dbraw/zinc/53/51/73/1179535173.db2.gz AGDKMRMDJXGYGE-ZIAGYGMSSA-N 2 0 269.433 1.777 10 0 CDAERP CC[NH2+][C@@H](CC)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001715067848 1179538337 /nfs/dbraw/zinc/53/83/37/1179538337.db2.gz KDGRFPVUVQAGIY-LBPRGKRZSA-N 2 0 255.406 1.365 10 0 CDAERP COCC[NH2+]CC1(NC(=O)[C@@H]2CCCC[N@@H+]2C)CCCC1 ZINC001715097605 1179550661 /nfs/dbraw/zinc/55/06/61/1179550661.db2.gz HVGWULACCGHPBN-AWEZNQCLSA-N 2 0 297.443 1.136 10 0 CDAERP CCC[NH2+]CC[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001715149879 1179564453 /nfs/dbraw/zinc/56/44/53/1179564453.db2.gz CJKLCOFXMLWVIA-OAHLLOKOSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@H](C[NH2+]CCCF)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001715361398 1179642946 /nfs/dbraw/zinc/64/29/46/1179642946.db2.gz VOLQOINYUAXCLS-GFCCVEGCSA-N 2 0 273.396 1.124 10 0 CDAERP COCCC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C(C)C ZINC001715496052 1179682979 /nfs/dbraw/zinc/68/29/79/1179682979.db2.gz WSTSZDGYXMESKU-HUUCEWRRSA-N 2 0 299.459 1.238 10 0 CDAERP C[C@H](CC[NH2+]CCF)NC(=O)[C@H](C)Cc1c[nH]cn1 ZINC001715688013 1179764738 /nfs/dbraw/zinc/76/47/38/1179764738.db2.gz JVOMRLHXVGCSAY-GHMZBOCLSA-N 2 0 270.352 1.042 10 0 CDAERP CCCC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001715725800 1179779679 /nfs/dbraw/zinc/77/96/79/1179779679.db2.gz DVYANRSNSBGJHQ-KBPBESRZSA-N 2 0 269.433 1.469 10 0 CDAERP C[NH+](C)C1(C(=O)NC/C=C\C[NH2+]C/C=C\Cl)CCC1 ZINC001715822697 1179848132 /nfs/dbraw/zinc/84/81/32/1179848132.db2.gz CPEZIQSFZRRKCN-UBCGXMOYSA-N 2 0 285.819 1.485 10 0 CDAERP CC(C)CC[NH2+]C/C=C/CNC(=O)C1([NH+](C)C)CCC1 ZINC001715823337 1179850667 /nfs/dbraw/zinc/85/06/67/1179850667.db2.gz FGZMWDOLEBBTQA-AATRIKPKSA-N 2 0 281.444 1.779 10 0 CDAERP O=C(NC/C=C\C[NH2+]CC1CCCC1)C12CC[NH+](CC1)C2 ZINC001715893288 1179901098 /nfs/dbraw/zinc/90/10/98/1179901098.db2.gz NIFOLFWYGNKFRE-ARJAWSKDSA-N 2 0 291.439 1.534 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC/C=C/C[NH2+]CC1CC1 ZINC001715912328 1179910750 /nfs/dbraw/zinc/91/07/50/1179910750.db2.gz KBFVCRUOXJUBPX-LSMGEYOZSA-N 2 0 279.428 1.531 10 0 CDAERP CC(C)CCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001715969113 1179949623 /nfs/dbraw/zinc/94/96/23/1179949623.db2.gz GMXVDNPDVDMCAX-KBPBESRZSA-N 2 0 269.433 1.611 10 0 CDAERP COCCC[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001716033486 1180008618 /nfs/dbraw/zinc/00/86/18/1180008618.db2.gz FITJVYCPGNOUEY-CQSZACIVSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@H](C[N@H+](C)CC1CCC1)NC(=O)CC[NH+](C)C ZINC001716042318 1180017197 /nfs/dbraw/zinc/01/71/97/1180017197.db2.gz WOWMRKVLHHHLCM-GFCCVEGCSA-N 2 0 255.406 1.175 10 0 CDAERP CC[C@H](F)C[NH2+]C/C=C\CNC(=O)CC1CC[NH+](C)CC1 ZINC001716352299 1180165869 /nfs/dbraw/zinc/16/58/69/1180165869.db2.gz OYHYPWGXKGPEML-XVWMLYKFSA-N 2 0 299.434 1.728 10 0 CDAERP CCC/C=C\CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001716432336 1180205316 /nfs/dbraw/zinc/20/53/16/1180205316.db2.gz YQHVYKDQLAYQTO-BEWKBBBFSA-N 2 0 281.444 1.921 10 0 CDAERP CCC(CC)C[NH2+]C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001716463628 1180225071 /nfs/dbraw/zinc/22/50/71/1180225071.db2.gz CPUKYPAINJQZIF-ZDUSSCGKSA-N 2 0 269.433 1.613 10 0 CDAERP CC[NH2+]C1(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001716701094 1180376929 /nfs/dbraw/zinc/37/69/29/1180376929.db2.gz WTWONBBNVKFVEK-TXEJJXNPSA-N 2 0 253.390 1.118 10 0 CDAERP COCC[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001716790481 1180416092 /nfs/dbraw/zinc/41/60/92/1180416092.db2.gz DHYDRSPGRIANHE-HNNXBMFYSA-N 2 0 297.443 1.089 10 0 CDAERP CC(C)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001717084812 1180526885 /nfs/dbraw/zinc/52/68/85/1180526885.db2.gz WPSYDLWKZXMKMJ-BZUAXINKSA-N 2 0 295.471 1.811 10 0 CDAERP CCC[N@H+](C)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001717482883 1180699254 /nfs/dbraw/zinc/69/92/54/1180699254.db2.gz HXHHEQSAPVOTRE-CYBMUJFWSA-N 2 0 269.433 1.707 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H](C[NH2+]CCCF)C1 ZINC001717641988 1180769224 /nfs/dbraw/zinc/76/92/24/1180769224.db2.gz DGTRHRAPSYVLND-KKUMJFAQSA-N 2 0 299.434 1.705 10 0 CDAERP COCCC[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001717839284 1180888698 /nfs/dbraw/zinc/88/86/98/1180888698.db2.gz FQMWKYHKVARLFT-GOEBONIOSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)=CC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001723523224 1181582631 /nfs/dbraw/zinc/58/26/31/1181582631.db2.gz FOLSMLVICMYLMP-CHWSQXEVSA-N 2 0 288.395 1.718 10 0 CDAERP O=C(CCC[NH+]1CCCCC1)N1CC[C@H](C[NH2+]CCF)C1 ZINC001731680905 1182515289 /nfs/dbraw/zinc/51/52/89/1182515289.db2.gz FOYPDFWPWWTBRJ-OAHLLOKOSA-N 2 0 299.434 1.660 10 0 CDAERP CC[C@H](C)C[N@H+](CC)CCNC(=O)Cc1c[nH]cn1 ZINC001731812637 1182599957 /nfs/dbraw/zinc/59/99/57/1182599957.db2.gz CGPFUBAXTKHCTM-LBPRGKRZSA-N 2 0 266.389 1.436 10 0 CDAERP CC[N@@H+](CC=C(C)C)CCNC(=O)[C@H](C)Cc1c[nH]cn1 ZINC001731812218 1182600075 /nfs/dbraw/zinc/60/00/75/1182600075.db2.gz UXHGXCVGFFEEIL-CQSZACIVSA-N 2 0 292.427 1.993 10 0 CDAERP CC[C@@H](F)C[NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001731939549 1182687199 /nfs/dbraw/zinc/68/71/99/1182687199.db2.gz CPEXLWKPGWQVDS-CYBMUJFWSA-N 2 0 287.423 1.657 10 0 CDAERP CCOCC[NH2+]CCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001731960429 1182701079 /nfs/dbraw/zinc/70/10/79/1182701079.db2.gz GXFCOGHPQRGQPV-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CN(CC[NH2+]CC1CC1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001731964093 1182701791 /nfs/dbraw/zinc/70/17/91/1182701791.db2.gz CQPVEUKFUKIJJC-UHFFFAOYSA-N 2 0 289.423 1.820 10 0 CDAERP CCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001732201800 1182853146 /nfs/dbraw/zinc/85/31/46/1182853146.db2.gz QNFGYGDPMIGADO-KBPBESRZSA-N 2 0 269.433 1.755 10 0 CDAERP C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)C[NH2+]CCC1CC1 ZINC001732349768 1182921530 /nfs/dbraw/zinc/92/15/30/1182921530.db2.gz SUIDHKRMFHOKDU-CQSZACIVSA-N 2 0 293.455 1.757 10 0 CDAERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C[NH2+]CCCF ZINC001732353580 1182921978 /nfs/dbraw/zinc/92/19/78/1182921978.db2.gz ANRZJKQGBLNSHH-ZDUSSCGKSA-N 2 0 287.423 1.562 10 0 CDAERP CCCC[NH2+]C[C@@H](C)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001732422931 1182958104 /nfs/dbraw/zinc/95/81/04/1182958104.db2.gz MIEZUWVWJPZMBZ-CYBMUJFWSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)N(C)C(=O)CCC[NH+](C)C ZINC001732439545 1182967565 /nfs/dbraw/zinc/96/75/65/1182967565.db2.gz QZCCOPBYAHGMIA-CQSZACIVSA-N 2 0 269.433 1.731 10 0 CDAERP C[C@H](C[NH2+]CCF)N(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001732456089 1182975541 /nfs/dbraw/zinc/97/55/41/1182975541.db2.gz WDAYFDOKLIIORY-CYBMUJFWSA-N 2 0 295.402 1.768 10 0 CDAERP CCCCC[N@H+](C)CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001732581525 1183026825 /nfs/dbraw/zinc/02/68/25/1183026825.db2.gz DXEARHWBAOUYDL-MRXNPFEDSA-N 2 0 295.471 1.909 10 0 CDAERP CC[C@@H](F)C[NH2+]CC[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001732711757 1183095952 /nfs/dbraw/zinc/09/59/52/1183095952.db2.gz VKNKONXWJCQEMO-UONOGXRCSA-N 2 0 299.434 1.847 10 0 CDAERP CCN(CC[NH2+]CC1CCC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001732807045 1183131587 /nfs/dbraw/zinc/13/15/87/1183131587.db2.gz LNGJOLLRXDLESK-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP CCC[NH2+]C/C=C/CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001732875426 1183167616 /nfs/dbraw/zinc/16/76/16/1183167616.db2.gz BMDVGPVHKBYGRW-ONEGZZNKSA-N 2 0 299.378 1.553 10 0 CDAERP CCC[NH2+]C/C=C/CNC(=O)C1CC[NH+](C)CC1 ZINC001732895828 1183175429 /nfs/dbraw/zinc/17/54/29/1183175429.db2.gz VHLZCRVNEXCSIW-SNAWJCMRSA-N 2 0 253.390 1.000 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CCF ZINC001733078608 1183279355 /nfs/dbraw/zinc/27/93/55/1183279355.db2.gz NVUURJHPRCHDRV-UONOGXRCSA-N 2 0 287.423 1.562 10 0 CDAERP CN(CCC[NH2+]C/C=C/Cl)C(=O)C1(C[NH+](C)C)CC1 ZINC001733122263 1183297409 /nfs/dbraw/zinc/29/74/09/1183297409.db2.gz PIDWBKRCMTUQHU-XBXARRHUSA-N 2 0 287.835 1.519 10 0 CDAERP CCCCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001733208136 1183335064 /nfs/dbraw/zinc/33/50/64/1183335064.db2.gz WAHJUAUTXCXKBH-CABCVRRESA-N 2 0 281.444 1.851 10 0 CDAERP CCCCC[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001733411608 1183425666 /nfs/dbraw/zinc/42/56/66/1183425666.db2.gz HEEALDCWGZBLDJ-INIZCTEOSA-N 2 0 281.444 1.853 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H](CC[NH2+]CCF)C1 ZINC001733676834 1183495914 /nfs/dbraw/zinc/49/59/14/1183495914.db2.gz PLWLKVARDQIJRS-ZDUSSCGKSA-N 2 0 273.396 1.124 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1CCF ZINC001733903148 1183563372 /nfs/dbraw/zinc/56/33/72/1183563372.db2.gz VEPVOBGVYONLSH-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP C[NH+](C)CC(C)(C)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001771917200 1186954393 /nfs/dbraw/zinc/95/43/93/1186954393.db2.gz QPFATZQIXVETQX-AWEZNQCLSA-N 2 0 295.471 1.765 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000864067402 1164504093 /nfs/dbraw/zinc/50/40/93/1164504093.db2.gz HQCDGYACKFTMFJ-LBPRGKRZSA-N 2 0 265.401 1.071 10 0 CDAERP C[C@H]1C[C@H]1NC(=[NH2+])NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000864449892 1164543932 /nfs/dbraw/zinc/54/39/32/1164543932.db2.gz BSEGIFBGSIXISU-WUHRBBMRSA-N 2 0 268.405 1.008 10 0 CDAERP CC[C@H]1CCN(C(=[NH2+])NC[C@@H](C)[NH+](CC)CC)C1 ZINC000864453531 1164544758 /nfs/dbraw/zinc/54/47/58/1164544758.db2.gz MXKWFIQXHOLIRT-OLZOCXBDSA-N 2 0 254.422 1.973 10 0 CDAERP C[C@H](CNC(=[NH2+])N[C@@H]1C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000864455921 1164544771 /nfs/dbraw/zinc/54/47/71/1164544771.db2.gz CYGOODQAVOUVLM-YNEHKIRRSA-N 2 0 252.406 1.629 10 0 CDAERP CC[C@H]1CCN(C(=[NH2+])NCCCC[NH+]2CCN(C)CC2)C1 ZINC000864450647 1164543109 /nfs/dbraw/zinc/54/31/09/1164543109.db2.gz ATBFRRXZHFTWTJ-HNNXBMFYSA-N 2 0 295.475 1.270 10 0 CDAERP C[C@@H]1C[C@@H]1NC(=[NH2+])NCC1(C[NH+](C)C)CCCC1 ZINC000864464192 1164548192 /nfs/dbraw/zinc/54/81/92/1164548192.db2.gz SSAKUQPVIJVHSZ-NEPJUHHUSA-N 2 0 252.406 1.631 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH+]2CCCCC2)CC[N@@H+]1C ZINC000864955655 1164598024 /nfs/dbraw/zinc/59/80/24/1164598024.db2.gz UZDCSSISWOJCBX-SOUVJXGZSA-N 2 0 281.444 1.707 10 0 CDAERP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCc1ccc(C(N)=O)cc1 ZINC000866665333 1164804781 /nfs/dbraw/zinc/80/47/81/1164804781.db2.gz BTFOICQARHSPPU-CQSZACIVSA-N 2 0 275.396 1.306 10 0 CDAERP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCc1ccc(C(N)=O)cc1 ZINC000866668270 1164805095 /nfs/dbraw/zinc/80/50/95/1164805095.db2.gz AQLDZVKVOCIQQR-BXUZGUMPSA-N 2 0 261.369 1.140 10 0 CDAERP COCC[N@H+](CCC1CC[NH2+]CC1)CC1CC[NH+](C)CC1 ZINC000866672793 1164806019 /nfs/dbraw/zinc/80/60/19/1164806019.db2.gz NGRHAIVETUTDLQ-UHFFFAOYSA-N 3 0 297.487 1.666 10 0 CDAERP CC1(C)C[C@H](O)C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000866702459 1164810853 /nfs/dbraw/zinc/81/08/53/1164810853.db2.gz BMOJCJZCNZIBQD-INIZCTEOSA-N 2 0 274.408 1.925 10 0 CDAERP C[NH+](C)C[C@@H]1CN(C(=O)CCC(F)F)C[C@H]1C[NH+](C)C ZINC000870018484 1165132895 /nfs/dbraw/zinc/13/28/95/1165132895.db2.gz BCOWZWAJEXTHRD-VXGBXAGGSA-N 2 0 291.386 1.230 10 0 CDAERP CC[C@H](C)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870024118 1165133496 /nfs/dbraw/zinc/13/34/96/1165133496.db2.gz TZMHIPQTPAURDD-BFHYXJOUSA-N 2 0 269.433 1.230 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000870891950 1165229588 /nfs/dbraw/zinc/22/95/88/1165229588.db2.gz NECKMFDOVYXZEA-HLPPOEQASA-N 2 0 277.412 1.058 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]C[C@H](O)CC(C)(C)O)C1 ZINC000871973948 1165368204 /nfs/dbraw/zinc/36/82/04/1165368204.db2.gz PQARVSKUCCVKEU-QLFBSQMISA-N 2 0 286.460 1.466 10 0 CDAERP CC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)[C@@H]1CCCOC1 ZINC000872030933 1165373449 /nfs/dbraw/zinc/37/34/49/1165373449.db2.gz DOIRIYKBYZEMQH-BBWFWOEESA-N 2 0 297.487 1.665 10 0 CDAERP CC[NH+](CC)CCCN1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872150966 1165386186 /nfs/dbraw/zinc/38/61/86/1165386186.db2.gz HTSSLDFEYXQEFN-NWDGAFQWSA-N 2 0 281.366 1.787 10 0 CDAERP CON(C)C(=O)CC[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000872227210 1165399303 /nfs/dbraw/zinc/39/93/03/1165399303.db2.gz BHFNHZOMAPUOFM-UHFFFAOYSA-N 2 0 271.405 1.249 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC001618608662 1165637714 /nfs/dbraw/zinc/63/77/14/1165637714.db2.gz QWOWLVUBSXKHER-STQMWFEESA-N 2 0 255.406 1.032 10 0 CDAERP C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2C=CCC2)C[C@H]1C[NH+](C)C ZINC000875729004 1165753821 /nfs/dbraw/zinc/75/38/21/1165753821.db2.gz IPNUKPTZAAEWBD-KFWWJZLASA-N 2 0 294.443 1.086 10 0 CDAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C1=COCCC1 ZINC000107781647 796495412 /nfs/dbraw/zinc/49/54/12/796495412.db2.gz APYNZUSJHXFHEI-UHFFFAOYSA-N 2 0 297.443 1.413 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000863545862 796513282 /nfs/dbraw/zinc/51/32/82/796513282.db2.gz IDOPAUWQAAUQMU-IJLUTSLNSA-N 2 0 276.471 1.321 10 0 CDAERP NC(=O)c1ccc(CC[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000866666694 796527492 /nfs/dbraw/zinc/52/74/92/796527492.db2.gz VBILDNJLNZBUAH-KRWDZBQOSA-N 2 0 287.407 1.404 10 0 CDAERP CC[C@@H]1C[N@H+](CCc2ccc(C(N)=O)cc2)CC[C@H]1[NH3+] ZINC000866663973 796529689 /nfs/dbraw/zinc/52/96/89/796529689.db2.gz QEOLLYUXIQZTSM-UKRRQHHQSA-N 2 0 275.396 1.387 10 0 CDAERP CC(C)[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)C1CC1 ZINC000925849156 796587064 /nfs/dbraw/zinc/58/70/64/796587064.db2.gz AUDTVNKVEQLYLP-KBPBESRZSA-N 2 0 280.412 1.696 10 0 CDAERP COCC[N@H+](C)CCC[NH2+][C@@H]1CCOC[C@H]1C(C)C ZINC000924653476 796599196 /nfs/dbraw/zinc/59/91/96/796599196.db2.gz KCGPLSSSVWNROX-LSDHHAIUSA-N 2 0 272.433 1.605 10 0 CDAERP COc1ccccc1[C@H](O)CN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000817891986 796660643 /nfs/dbraw/zinc/66/06/43/796660643.db2.gz IEJNGCHLOKVBFA-RRFJBIMHSA-N 2 0 278.396 1.978 10 0 CDAERP Cc1c[nH]nc1C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923444977 796689656 /nfs/dbraw/zinc/68/96/56/796689656.db2.gz JEDWCVVDRULQSS-GFCCVEGCSA-N 2 0 264.373 1.048 10 0 CDAERP C[C@H]1CC2(CC([NH2+]CCCC[NH+]3CCN(C)CC3)C2)CO1 ZINC000924663548 796775337 /nfs/dbraw/zinc/77/53/37/796775337.db2.gz WBQWIVOYHLSRSD-GTPINHCMSA-N 2 0 295.471 1.561 10 0 CDAERP CC(C)c1noc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC000866012960 796810866 /nfs/dbraw/zinc/81/08/66/796810866.db2.gz XQHVDZBVIJYFEQ-CHWSQXEVSA-N 2 0 295.431 1.369 10 0 CDAERP C[C@H]1CCC[C@](CNC(=O)C=C2CC[NH2+]CC2)([NH+](C)C)C1 ZINC000852861725 796846123 /nfs/dbraw/zinc/84/61/23/796846123.db2.gz HUOPHIHTUMISRA-YOEHRIQHSA-N 2 0 293.455 1.923 10 0 CDAERP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCCO)C2)ccn1 ZINC000856591197 796859048 /nfs/dbraw/zinc/85/90/48/796859048.db2.gz JXIASYPOCDVJEY-MRXNPFEDSA-N 2 0 293.411 1.369 10 0 CDAERP C[C@@H]1CC[C@]2(CC[N@H+](C[C@@H](O)C[NH+]3CCCC3)C2)C1 ZINC000782106521 796878056 /nfs/dbraw/zinc/87/80/56/796878056.db2.gz HMEZCGYTYHITLV-PMPSAXMXSA-N 2 0 266.429 1.955 10 0 CDAERP CCC(CC)NC(=[NH2+])NCCCC[NH+]1CCOCC1 ZINC000864451607 796915377 /nfs/dbraw/zinc/91/53/77/796915377.db2.gz IMULLXXOKVNKPV-UHFFFAOYSA-N 2 0 270.421 1.401 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870948887 796990901 /nfs/dbraw/zinc/99/09/01/796990901.db2.gz OSDQACCOBJEILI-IPYPFGDCSA-N 2 0 267.417 1.208 10 0 CDAERP CCOC(=O)CC(C)(C)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000838862063 797017889 /nfs/dbraw/zinc/01/78/89/797017889.db2.gz DAGXHDHXHOKVQY-RYUDHWBXSA-N 2 0 254.374 1.117 10 0 CDAERP C[C@@]1(C(F)(F)F)C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000717945239 797036379 /nfs/dbraw/zinc/03/63/79/797036379.db2.gz OBACNKQEJGVJEZ-VWYCJHECSA-N 2 0 266.307 1.767 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000711373620 797057421 /nfs/dbraw/zinc/05/74/21/797057421.db2.gz COOHPZLVXBGYAC-FMKPAKJESA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)(C)[C@H](O)C[C@H](CO)N[C@@H]1CC[NH2+]C12CCC2 ZINC000925668171 797095771 /nfs/dbraw/zinc/09/57/71/797095771.db2.gz VDNIROHOQIFWQT-JHJVBQTASA-N 2 0 270.417 1.019 10 0 CDAERP c1ncn(-c2ccccc2C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)n1 ZINC000843117280 797119908 /nfs/dbraw/zinc/11/99/08/797119908.db2.gz ODPSZHOUOUQRAF-QGZVFWFLSA-N 2 0 297.406 1.843 10 0 CDAERP Cc1coc(C[NH2+]CCCN2CC[NH+](C)CC2)c1 ZINC000718132224 797151199 /nfs/dbraw/zinc/15/11/99/797151199.db2.gz IWCQKQJEVIXGBA-UHFFFAOYSA-N 2 0 251.374 1.315 10 0 CDAERP C[N@@H+](Cc1ccc(F)c(F)c1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923305667 797244304 /nfs/dbraw/zinc/24/43/04/797244304.db2.gz ZZNABLFGXSMPFC-GFCCVEGCSA-N 2 0 282.334 1.775 10 0 CDAERP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000872307908 797306346 /nfs/dbraw/zinc/30/63/46/797306346.db2.gz OLHMVWYXBYJYFS-HZSPNIEDSA-N 2 0 267.417 1.624 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000711277630 797317460 /nfs/dbraw/zinc/31/74/60/797317460.db2.gz SUTLILQKJWRDTI-CYBMUJFWSA-N 2 0 267.417 1.175 10 0 CDAERP COCc1noc([C@H](C)N2CC[C@](C[NH3+])(C(C)(C)C)C2)n1 ZINC000866709464 797318350 /nfs/dbraw/zinc/31/83/50/797318350.db2.gz XXQFFXXPUAKZFN-XHDPSFHLSA-N 2 0 296.415 1.974 10 0 CDAERP C[NH+](C)CCN1C(=O)C[C@H]([NH+]2CCCCCCCC2)C1=O ZINC000821781453 797374576 /nfs/dbraw/zinc/37/45/76/797374576.db2.gz RJEZGINSXGHEGR-AWEZNQCLSA-N 2 0 295.427 1.332 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCC(C)(C)CO1 ZINC000925734019 797467835 /nfs/dbraw/zinc/46/78/35/797467835.db2.gz ZKICXSKOGXIZGU-CRWXNKLISA-N 2 0 270.417 1.534 10 0 CDAERP O=C1NCCC2(CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)O1 ZINC000923528886 797504425 /nfs/dbraw/zinc/50/44/25/797504425.db2.gz YODIBCIGVMEMLN-ZDUSSCGKSA-N 2 0 281.400 1.341 10 0 CDAERP CCCOC(=O)[C@@H](C)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923452361 797547332 /nfs/dbraw/zinc/54/73/32/797547332.db2.gz UKVMITUPEOVADD-OLZOCXBDSA-N 2 0 284.400 1.158 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCn3cncc32)CC[N@@H+]1C ZINC000857980275 797551223 /nfs/dbraw/zinc/55/12/23/797551223.db2.gz WFBRNYVJXYPGBD-SDDRHHMPSA-N 2 0 262.357 1.174 10 0 CDAERP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C=C2CC[NH2+]CC2)C1 ZINC000852861846 797667011 /nfs/dbraw/zinc/66/70/11/797667011.db2.gz LAZAYNRIIRSTSZ-CQSZACIVSA-N 2 0 293.455 1.923 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](C[C@H]2CCc3ncnn32)C1 ZINC000866706961 797721970 /nfs/dbraw/zinc/72/19/70/797721970.db2.gz GKMAAZBXIRKXNV-DOMZBBRYSA-N 2 0 277.416 1.462 10 0 CDAERP C[NH+](C)C[C@](C)(O)C[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000723617167 797771833 /nfs/dbraw/zinc/77/18/33/797771833.db2.gz YTBOHSSTQYNNLH-KBUPBQIOSA-N 2 0 270.417 1.094 10 0 CDAERP CCC(CC)C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863548931 797796298 /nfs/dbraw/zinc/79/62/98/797796298.db2.gz ZTVVXXFFCFKZSZ-CABCVRRESA-N 2 0 295.427 1.680 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCC[NH2+]C2CCCCCC2)C1 ZINC000870937783 797811979 /nfs/dbraw/zinc/81/19/79/797811979.db2.gz SDTLCRDHCRFPDO-WOSRLPQWSA-N 2 0 279.428 1.542 10 0 CDAERP COCCN1CC[C@H]([NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925554751 797864111 /nfs/dbraw/zinc/86/41/11/797864111.db2.gz AHHGFKUARISHMJ-RDBSUJKOSA-N 2 0 269.433 1.203 10 0 CDAERP C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCCCCCC[NH3+] ZINC000842471572 797887883 /nfs/dbraw/zinc/88/78/83/797887883.db2.gz JZWVVPSCLANEBB-CHWSQXEVSA-N 2 0 255.406 1.481 10 0 CDAERP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC[C@H](N(C)C)C(F)(F)F ZINC000925837078 797951191 /nfs/dbraw/zinc/95/11/91/797951191.db2.gz NLWOULWPZIKFBD-WOPDTQHZSA-N 2 0 281.366 1.847 10 0 CDAERP C[C@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1)[NH2+]2 ZINC000925725742 797998719 /nfs/dbraw/zinc/99/87/19/797998719.db2.gz NJSBHHHWGNFOEE-GXYBRJDSSA-N 3 0 251.418 1.623 10 0 CDAERP CC(C)=CCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875528071 798017427 /nfs/dbraw/zinc/01/74/27/798017427.db2.gz SYKANCUFMRSWMM-HUUCEWRRSA-N 2 0 296.459 1.333 10 0 CDAERP COc1ccccc1[C@H](O)C[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000246831952 798039408 /nfs/dbraw/zinc/03/94/08/798039408.db2.gz BRTWEUDGWKGBIY-GZBFAFLISA-N 2 0 278.396 1.801 10 0 CDAERP CCN(CCC[NH+](CC)CC)C(=O)[C@H]1CC[N@@H+]1CC ZINC001638806491 1166874668 /nfs/dbraw/zinc/87/46/68/1166874668.db2.gz GGQKYNIPMRTHCK-CQSZACIVSA-N 2 0 269.433 1.661 10 0 CDAERP C[C@H](CC[NH2+]CC1CC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001568686539 1167540514 /nfs/dbraw/zinc/54/05/14/1167540514.db2.gz AGBFIHZBAPMTES-CYBMUJFWSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@H](C[NH2+]CC1CCCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001569036593 1167548418 /nfs/dbraw/zinc/54/84/18/1167548418.db2.gz SOTOMUAQAJYATJ-TZMCWYRMSA-N 2 0 267.417 1.223 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001645893769 1167556501 /nfs/dbraw/zinc/55/65/01/1167556501.db2.gz XZQKEUHJIXPTLE-ARFHVFGLSA-N 2 0 293.455 1.838 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1C[C@H](C)CC ZINC001483695573 912877030 /nfs/dbraw/zinc/87/70/30/912877030.db2.gz IPOVMIKQHQUZKH-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)=CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001272382800 912981007 /nfs/dbraw/zinc/98/10/07/912981007.db2.gz AYZZJMJHXKCWKQ-JKSUJKDBSA-N 2 0 293.455 1.875 10 0 CDAERP CC[C@H](C)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001493546271 913251629 /nfs/dbraw/zinc/25/16/29/913251629.db2.gz NZRWZTOGGBUAER-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001266533649 895255955 /nfs/dbraw/zinc/25/59/55/895255955.db2.gz NSSGGWRVCABLPV-AWEZNQCLSA-N 2 0 267.417 1.342 10 0 CDAERP CCC[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001266699393 895857435 /nfs/dbraw/zinc/85/74/35/895857435.db2.gz HOTLOMQGGSLMHA-ZDUSSCGKSA-N 2 0 255.406 1.317 10 0 CDAERP CC(C)[C@H](C(=O)N(C)CC[NH2+]CC1CC1)[NH+](C)C ZINC001266827769 896136951 /nfs/dbraw/zinc/13/69/51/896136951.db2.gz ARWHMZKMPVEKCS-CYBMUJFWSA-N 2 0 255.406 1.031 10 0 CDAERP CN(CC[NH2+]Cc1cccc(F)c1F)C(=O)CC[NH+](C)C ZINC001266827401 896139881 /nfs/dbraw/zinc/13/98/81/896139881.db2.gz VSVXRFSFUHEUAN-UHFFFAOYSA-N 2 0 299.365 1.465 10 0 CDAERP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CCCF ZINC001266960031 896444357 /nfs/dbraw/zinc/44/43/57/896444357.db2.gz BAYIMTRJXZXAHP-LBPRGKRZSA-N 2 0 273.396 1.315 10 0 CDAERP CC[NH2+][C@@H](C)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001267149653 896923777 /nfs/dbraw/zinc/92/37/77/896923777.db2.gz ZXGOEYPMZXQPAU-UONOGXRCSA-N 2 0 269.433 1.755 10 0 CDAERP CN(CC[NH2+]Cc1ccccc1F)C(=O)[C@H]1CCC[N@@H+]1C ZINC001267414694 897873020 /nfs/dbraw/zinc/87/30/20/897873020.db2.gz NKAQIHJBFHWIBF-OAHLLOKOSA-N 2 0 293.386 1.468 10 0 CDAERP CCCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](CC)C1 ZINC001267548441 898320601 /nfs/dbraw/zinc/32/06/01/898320601.db2.gz FSOVECRMLLZTTA-CQSZACIVSA-N 2 0 267.417 1.415 10 0 CDAERP CCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267768022 899649626 /nfs/dbraw/zinc/64/96/26/899649626.db2.gz RVVLWOJQOHJIDT-ZIAGYGMSSA-N 2 0 269.433 1.659 10 0 CDAERP CC[C@@H](C(=O)N(C)CC[NH2+]CCC(C)C)[NH+](C)C ZINC001481281219 899995943 /nfs/dbraw/zinc/99/59/43/899995943.db2.gz GCRYWGHJRHKCGG-ZDUSSCGKSA-N 2 0 257.422 1.421 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]CCF ZINC001481287494 900108583 /nfs/dbraw/zinc/10/85/83/900108583.db2.gz JPNPPTCMWIOMGP-ZDUSSCGKSA-N 2 0 273.396 1.267 10 0 CDAERP CCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001267984666 900191850 /nfs/dbraw/zinc/19/18/50/900191850.db2.gz DKVQFWOTBSUSKW-UONOGXRCSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001267996898 900218614 /nfs/dbraw/zinc/21/86/14/900218614.db2.gz ALNSILKOMVBGMN-AWEZNQCLSA-N 2 0 281.444 1.636 10 0 CDAERP CC(C)OCC[NH2+]CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001481295354 900220500 /nfs/dbraw/zinc/22/05/00/900220500.db2.gz RNPSHNAOWONXBU-UHFFFAOYSA-N 2 0 299.459 1.191 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925718222 900351062 /nfs/dbraw/zinc/35/10/62/900351062.db2.gz NEGSBLCQWZBLDG-GJZGRUSLSA-N 3 0 269.433 1.110 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CCF)[NH+]1CCCC1 ZINC001268099119 901281846 /nfs/dbraw/zinc/28/18/46/901281846.db2.gz YMEGUCVWYLBXEG-KBPBESRZSA-N 2 0 287.423 1.513 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001268099762 901283686 /nfs/dbraw/zinc/28/36/86/901283686.db2.gz HYBIYRRXUAFWRT-CYBMUJFWSA-N 2 0 255.406 1.175 10 0 CDAERP C[C@H](C[NH2+]CCC1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001268099930 901284958 /nfs/dbraw/zinc/28/49/58/901284958.db2.gz JEAGKJLJSYUUED-OCCSQVGLSA-N 2 0 267.417 1.175 10 0 CDAERP COCC(COC)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000692913237 901462431 /nfs/dbraw/zinc/46/24/31/901462431.db2.gz HGNPXSRFQHZXBE-CQSZACIVSA-N 2 0 270.417 1.359 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CCC[N@H+](CC(C)C)C1)[NH+](C)C ZINC001268228489 901607799 /nfs/dbraw/zinc/60/77/99/901607799.db2.gz CPUWIICXZLCADI-UONOGXRCSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)=CC[NH+]1CC(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001481669363 901765080 /nfs/dbraw/zinc/76/50/80/901765080.db2.gz JUUCOIVIHLAILE-UHFFFAOYSA-N 2 0 293.455 1.877 10 0 CDAERP C[C@H](CC[NH2+]C/C=C/Cl)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001268419353 902034542 /nfs/dbraw/zinc/03/45/42/902034542.db2.gz LTUOBDNSBNXDAC-MZVYLTKDSA-N 2 0 299.846 1.709 10 0 CDAERP CCCCC[NH2+]C[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001268704438 902987672 /nfs/dbraw/zinc/98/76/72/902987672.db2.gz CSSUIKCBVLNAQJ-KGLIPLIRSA-N 2 0 269.433 1.613 10 0 CDAERP C[C@@H](C[NH2+]CCc1cccs1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268716183 903000858 /nfs/dbraw/zinc/00/08/58/903000858.db2.gz ZWAGRUIVWFKKPZ-QWHCGFSZSA-N 2 0 295.452 1.337 10 0 CDAERP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CCC1CC1 ZINC001269511504 903876354 /nfs/dbraw/zinc/87/63/54/903876354.db2.gz ZRUUIDUGZXAYTR-AWEZNQCLSA-N 2 0 267.417 1.367 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001270083521 904337295 /nfs/dbraw/zinc/33/72/95/904337295.db2.gz PDYHNLQVKNNMIG-CQSZACIVSA-N 2 0 279.428 1.605 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C[NH2+]CCF)C1CCCC1)[NH+](C)C ZINC001270450476 904645001 /nfs/dbraw/zinc/64/50/01/904645001.db2.gz VEGGWPFRUNOJTD-KGLIPLIRSA-N 2 0 287.423 1.561 10 0 CDAERP CCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001270495255 904679488 /nfs/dbraw/zinc/67/94/88/904679488.db2.gz ISJBOLXFWPBTDS-RDBSUJKOSA-N 2 0 269.433 1.469 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CCCF)[NH+](C)C ZINC001271180812 906143928 /nfs/dbraw/zinc/14/39/28/906143928.db2.gz FCFYNUMZJYDQGF-OLZOCXBDSA-N 2 0 275.412 1.369 10 0 CDAERP CC(C)C[C@@H](C[NH2+]CCF)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001271255112 906214413 /nfs/dbraw/zinc/21/44/13/906214413.db2.gz RCLLROVIPVZFCM-STQMWFEESA-N 2 0 273.396 1.171 10 0 CDAERP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCC(C)(C)C ZINC001423166451 906391177 /nfs/dbraw/zinc/39/11/77/906391177.db2.gz MHUMBZZZDZLCQO-KGLIPLIRSA-N 2 0 283.460 1.811 10 0 CDAERP C[NH+](C)C1CC([NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C1 ZINC000922213650 921365753 /nfs/dbraw/zinc/36/57/53/921365753.db2.gz DFIXEZBYPBENCM-WKBAMAJKSA-N 2 0 250.386 1.482 10 0 CDAERP CCN(CC[NH2+]CC[C@@H]1CCCO1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001482914107 908487750 /nfs/dbraw/zinc/48/77/50/908487750.db2.gz IXEOELOROPCVOZ-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CCCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001482992452 908658478 /nfs/dbraw/zinc/65/84/78/908658478.db2.gz XMDWIFPKLHJDLA-GFUIURDCSA-N 2 0 253.390 1.143 10 0 CDAERP Cc1cc([C@H]([NH3+])CC(=O)N(C)[C@@H](C)C[NH3+])cc(Cl)n1 ZINC000841848582 908684653 /nfs/dbraw/zinc/68/46/53/908684653.db2.gz NOCPVMLJGQWELX-GXSJLCMTSA-N 2 0 284.791 1.239 10 0 CDAERP C[C@@H]([NH2+]C1CC1)C(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000841848572 908687324 /nfs/dbraw/zinc/68/73/24/908687324.db2.gz MXBKCKLFTFJYSH-LLVKDONJSA-N 2 0 273.380 1.565 10 0 CDAERP C[NH+](C)C[C@H](Cc1ccccc1)N[C@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000924728451 909464818 /nfs/dbraw/zinc/46/48/18/909464818.db2.gz GAMTWFXPAJSAPW-BZSNNMDCSA-N 2 0 287.451 1.843 10 0 CDAERP Cn1nncc1C[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714390502 909735778 /nfs/dbraw/zinc/73/57/78/909735778.db2.gz FXSCIPUEPYHWQG-UHFFFAOYSA-N 2 0 251.378 1.012 10 0 CDAERP C[C@H](C(=O)N(C)C)[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714466650 909742331 /nfs/dbraw/zinc/74/23/31/909742331.db2.gz KELIWHALIWEVOO-LLVKDONJSA-N 2 0 255.406 1.160 10 0 CDAERP Cn1nccc1C[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714446279 909742368 /nfs/dbraw/zinc/74/23/68/909742368.db2.gz LWWWBZKYISUMGM-UHFFFAOYSA-N 2 0 250.390 1.617 10 0 CDAERP CC(C)(C[NH3+])C1CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000714487645 909746534 /nfs/dbraw/zinc/74/65/34/909746534.db2.gz UXTALZHUXGGOCY-HNNXBMFYSA-N 3 0 283.460 1.140 10 0 CDAERP C[N@H+](CC[C@@H]1C[C@H]1C1CC1)CCN1CC[NH2+]CC1 ZINC000714776673 909761793 /nfs/dbraw/zinc/76/17/93/909761793.db2.gz XUWUEYBXNTUGOA-CABCVRRESA-N 2 0 251.418 1.260 10 0 CDAERP CC1(C)CO[C@H](C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)C1 ZINC000715023862 909789478 /nfs/dbraw/zinc/78/94/78/909789478.db2.gz VTRJMYXPPKISIC-HZSPNIEDSA-N 2 0 252.402 1.875 10 0 CDAERP O=C(NC1(C[NH2+]CCF)CCCC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001567998401 1169112442 /nfs/dbraw/zinc/11/24/42/1169112442.db2.gz KLWUEVSQEFQETJ-CQSZACIVSA-N 2 0 297.418 1.316 10 0 CDAERP C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)[C@@H]1CCC[NH2+]1 ZINC000715573368 910021082 /nfs/dbraw/zinc/02/10/82/910021082.db2.gz QFJAMSCRIITDTR-LQULJDIASA-N 3 0 253.434 1.979 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C ZINC001425980532 910423312 /nfs/dbraw/zinc/42/33/12/910423312.db2.gz XGSWEWOFAOAEDW-KBPBESRZSA-N 2 0 299.434 1.657 10 0 CDAERP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1ccccc1 ZINC001507116652 910767515 /nfs/dbraw/zinc/76/75/15/910767515.db2.gz CVASIURZQCZPLG-CQSZACIVSA-N 2 0 277.412 1.575 10 0 CDAERP CO[C@@H](C)C[NH2+]CC[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001568066265 1169131640 /nfs/dbraw/zinc/13/16/40/1169131640.db2.gz LDGSDEZSYIPHPL-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](CC[NH2+]CCCF)C2)C1 ZINC001484537014 915864864 /nfs/dbraw/zinc/86/48/64/915864864.db2.gz CYBUMNSQOPQEJY-GJZGRUSLSA-N 2 0 299.434 1.516 10 0 CDAERP CC(C)=CC[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001484897162 916253997 /nfs/dbraw/zinc/25/39/97/916253997.db2.gz HJVJEOKSGATYGY-ZBFHGGJFSA-N 2 0 293.455 1.731 10 0 CDAERP CCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001484922611 916278969 /nfs/dbraw/zinc/27/89/69/916278969.db2.gz SSUHQFASKIZICH-AWEZNQCLSA-N 2 0 281.444 1.851 10 0 CDAERP CCCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001485343397 916860272 /nfs/dbraw/zinc/86/02/72/916860272.db2.gz CZJRFQPRNVKCPD-KKUMJFAQSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+]Cc1cccnc1 ZINC001495816363 936396208 /nfs/dbraw/zinc/39/62/08/936396208.db2.gz UVAULSFQHLQBGY-CQSZACIVSA-N 2 0 292.427 1.264 10 0 CDAERP C[C@H]1C[C@@H](N(C)C(=O)CC[C@@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC000830351752 936456115 /nfs/dbraw/zinc/45/61/15/936456115.db2.gz WEGGYPKYFYJZSI-IHRRRGAJSA-N 2 0 267.417 1.460 10 0 CDAERP COCC[N@H+](C)CCC[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000921523002 918902124 /nfs/dbraw/zinc/90/21/24/918902124.db2.gz CWSCBXCYJHXJIZ-OWCLPIDISA-N 2 0 284.444 1.750 10 0 CDAERP CCCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001568291440 1169227188 /nfs/dbraw/zinc/22/71/88/1169227188.db2.gz JOMJSVOXYAUBAZ-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001490897501 936668966 /nfs/dbraw/zinc/66/89/66/936668966.db2.gz KWMBRZVEWRSSTB-AVGNSLFASA-N 2 0 285.407 1.456 10 0 CDAERP CCCC[NH2+]C[C@@H](C)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001568304695 1169232616 /nfs/dbraw/zinc/23/26/16/1169232616.db2.gz PZOLRAQUUHADNR-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP C[N@H+](CC(=O)N[C@@H]1CC[C@H](C[NH2+]CCF)C1)C1CCC1 ZINC001486200835 920806434 /nfs/dbraw/zinc/80/64/34/920806434.db2.gz AJZDURBEDROSKQ-QWHCGFSZSA-N 2 0 285.407 1.315 10 0 CDAERP COCCC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001486424933 920997948 /nfs/dbraw/zinc/99/79/48/920997948.db2.gz YAVTWASJXRIKPG-ZIAGYGMSSA-N 2 0 299.459 1.095 10 0 CDAERP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@@]3(C)CCC[NH2+]3)CC[C@H]21 ZINC000227334634 936743941 /nfs/dbraw/zinc/74/39/41/936743941.db2.gz AFRYPWSQULWDFN-GZBFAFLISA-N 2 0 265.401 1.071 10 0 CDAERP C[C@@H](NC(=O)C[NH+]1CCCC1)C1C[NH+](CCC2CC2)C1 ZINC001409969142 922367605 /nfs/dbraw/zinc/36/76/05/922367605.db2.gz IQLMGDGVMHCZEX-CYBMUJFWSA-N 2 0 279.428 1.319 10 0 CDAERP C[C@H]1C[N@H+](CCOC2CCOCC2)CC[C@H]1C[NH3+] ZINC000701371954 922374036 /nfs/dbraw/zinc/37/40/36/922374036.db2.gz QCTCDMMKUDHGFK-STQMWFEESA-N 2 0 256.390 1.099 10 0 CDAERP [NH3+]Cc1ccc2c(c1)CCCN2C(=O)C[C@@H]1CC[NH2+]C1 ZINC000843341874 922830103 /nfs/dbraw/zinc/83/01/03/922830103.db2.gz HZNZJEOLEPZRQW-ZDUSSCGKSA-N 2 0 273.380 1.424 10 0 CDAERP COC1CC(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000703882852 922836833 /nfs/dbraw/zinc/83/68/33/922836833.db2.gz NVPZPPAIKSERCG-POSLAHMBSA-N 2 0 280.334 1.871 10 0 CDAERP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)[C@]12C[C@H]1CCCC2 ZINC000708842231 923196078 /nfs/dbraw/zinc/19/60/78/923196078.db2.gz YAHYYEZMDGHQOQ-TUVASFSCSA-N 2 0 254.418 1.857 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000710604964 923255070 /nfs/dbraw/zinc/25/50/70/923255070.db2.gz REZZEZRGMYYKAC-UTUOFQBUSA-N 2 0 251.399 1.788 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711355029 923507202 /nfs/dbraw/zinc/50/72/02/923507202.db2.gz QBFZYZOCQNTQOT-LBPRGKRZSA-N 2 0 255.406 1.080 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001491029379 936844524 /nfs/dbraw/zinc/84/45/24/936844524.db2.gz AKUKWWGOGSQKID-QLFBSQMISA-N 2 0 281.444 1.754 10 0 CDAERP CC[N@@H+]1CCC[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001491108810 936858830 /nfs/dbraw/zinc/85/88/30/936858830.db2.gz DKGRVUNJJJRHGZ-ZDUSSCGKSA-N 2 0 267.417 1.319 10 0 CDAERP C[N@H+](Cc1ccc(Cl)cc1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923296759 923720965 /nfs/dbraw/zinc/72/09/65/923720965.db2.gz BYMAKDWYWMGYHY-AVGNSLFASA-N 2 0 254.761 1.622 10 0 CDAERP C(C1CC1)[NH+](CC1CC1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923316184 923731863 /nfs/dbraw/zinc/73/18/63/923731863.db2.gz NCSUPCOGMFWYJK-CQSZACIVSA-N 2 0 250.386 1.487 10 0 CDAERP CCOCC[C@H](O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000923327706 923736379 /nfs/dbraw/zinc/73/63/79/923736379.db2.gz HOJHNRVXYWXUSK-KKUMJFAQSA-N 2 0 270.417 1.238 10 0 CDAERP C([C@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000923311937 923738067 /nfs/dbraw/zinc/73/80/67/923738067.db2.gz BRTLRTJMGHAJAW-ZIAGYGMSSA-N 2 0 250.386 1.629 10 0 CDAERP C(C[NH2+]C1CC1)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000923324976 923747597 /nfs/dbraw/zinc/74/75/97/923747597.db2.gz OGXWLGNDFNGPRI-CQSZACIVSA-N 2 0 251.418 1.546 10 0 CDAERP CC(C)OCC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000923364031 923776558 /nfs/dbraw/zinc/77/65/58/923776558.db2.gz ICQCNCDAQQCBTO-HRCADAONSA-N 2 0 284.444 1.626 10 0 CDAERP CC1(C)CCC[C@H]1[C@@H]1CC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923384969 923797882 /nfs/dbraw/zinc/79/78/82/923797882.db2.gz RDSVPAUFLSIQMO-QTVXIADOSA-N 2 0 266.429 1.985 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001491160482 936867399 /nfs/dbraw/zinc/86/73/99/936867399.db2.gz JFERQIUCBRXBMI-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP COc1cccc([C@@H]2C[NH2+]CCN2CCC[NH2+]C2CC2)c1 ZINC000923422951 923820239 /nfs/dbraw/zinc/82/02/39/923820239.db2.gz OQPVAOZJTKVRKQ-KRWDZBQOSA-N 2 0 289.423 1.784 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001491172211 936869611 /nfs/dbraw/zinc/86/96/11/936869611.db2.gz BYJLLKQFYKVQFI-HZPDHXFCSA-N 2 0 295.471 1.812 10 0 CDAERP C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923452328 923843998 /nfs/dbraw/zinc/84/39/98/923843998.db2.gz GEYUPNVGRFECKH-STQMWFEESA-N 2 0 297.443 1.119 10 0 CDAERP Clc1cccc2c1CC[C@H]2N1CC[NH2+]CC[NH2+]CC1 ZINC000923460937 923847739 /nfs/dbraw/zinc/84/77/39/923847739.db2.gz YBGCRGURZIFYDF-OAHLLOKOSA-N 2 0 279.815 1.822 10 0 CDAERP C[C@H](c1ccc(F)cc1F)N1CC[NH2+]CC[NH2+]CC1 ZINC000923460185 923847991 /nfs/dbraw/zinc/84/79/91/923847991.db2.gz CNQAXCZJZKDHFO-LLVKDONJSA-N 2 0 269.339 1.521 10 0 CDAERP Fc1ccc2c(c1)[C@@H](N1CC[NH2+]CC[NH2+]CC1)CC2 ZINC000923463403 923851584 /nfs/dbraw/zinc/85/15/84/923851584.db2.gz RSFYAWLYQAVFDH-HNNXBMFYSA-N 2 0 263.360 1.308 10 0 CDAERP Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923492373 923878084 /nfs/dbraw/zinc/87/80/84/923878084.db2.gz NZJASVOUUOANAX-ARFHVFGLSA-N 2 0 292.423 1.651 10 0 CDAERP CCCCC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923497695 923882311 /nfs/dbraw/zinc/88/23/11/923882311.db2.gz CIJVREVYXQSNDW-ILXRZTDVSA-N 2 0 283.460 1.988 10 0 CDAERP C[NH2+]CCC[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923507148 923884557 /nfs/dbraw/zinc/88/45/57/923884557.db2.gz NIXFVSKSIASWFL-CQSZACIVSA-N 3 0 253.434 1.698 10 0 CDAERP C[C@H]1C[N@H+](CC(=O)Nc2ccc(O)cc2)CC[C@@H]1C[NH3+] ZINC000923501086 923885374 /nfs/dbraw/zinc/88/53/74/923885374.db2.gz RQYAUJIGPKMESE-NWDGAFQWSA-N 2 0 277.368 1.247 10 0 CDAERP CC1(C)CC[C@@H](C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)OC1 ZINC000923516018 923891383 /nfs/dbraw/zinc/89/13/83/923891383.db2.gz QZWJQYSMGNCRAE-MJBXVCDLSA-N 2 0 252.402 1.733 10 0 CDAERP C[NH2+]CCCN1C[C@H](C[C@@H]2COCC[NH2+]2)c2ccccc21 ZINC000923544009 923918389 /nfs/dbraw/zinc/91/83/89/923918389.db2.gz YCJLSIAEBAXKHL-LSDHHAIUSA-N 2 0 289.423 1.578 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2C[NH2+]CCCF)C1 ZINC001491263448 936886499 /nfs/dbraw/zinc/88/64/99/936886499.db2.gz HZKOOTBSGHXBEB-LSDHHAIUSA-N 2 0 299.434 1.659 10 0 CDAERP C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]C/C=C\Cl ZINC001491493855 936924476 /nfs/dbraw/zinc/92/44/76/936924476.db2.gz ADEXBBHSELOQRV-LLPBQKLSSA-N 2 0 299.846 1.709 10 0 CDAERP C[C@@H](CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]C/C=C/Cl ZINC001410432773 925653238 /nfs/dbraw/zinc/65/32/38/925653238.db2.gz HBZRKZCLKVPHRX-PBYRWIMMSA-N 2 0 287.835 1.517 10 0 CDAERP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CC1CCCCC1 ZINC001410434150 925654798 /nfs/dbraw/zinc/65/47/98/925654798.db2.gz KOTHVXXSKKTRQZ-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP CC[NH2+]Cc1ccccc1NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000841846436 937017477 /nfs/dbraw/zinc/01/74/77/937017477.db2.gz UAEUNKLXAFANKR-CYBMUJFWSA-N 2 0 261.369 1.862 10 0 CDAERP CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CCCF)C1)[NH+](C)C ZINC001488834929 926732559 /nfs/dbraw/zinc/73/25/59/926732559.db2.gz SBZXVKLTYCJNPV-JHJVBQTASA-N 2 0 273.396 1.171 10 0 CDAERP C[C@@]1(C[NH2+]Cc2cccnc2-n2ccnc2)CC[NH2+]C1 ZINC000843125895 937115130 /nfs/dbraw/zinc/11/51/30/937115130.db2.gz KIOJTVQNMPEEMN-OAHLLOKOSA-N 2 0 271.368 1.357 10 0 CDAERP c1[nH+]cn2ccc(-c3noc(C[C@@H]4CCC[NH2+]4)n3)cc12 ZINC000843226522 937123984 /nfs/dbraw/zinc/12/39/84/937123984.db2.gz ANFOKLXNQJOZRG-NSHDSACASA-N 2 0 269.308 1.679 10 0 CDAERP CC1=CC[N@H+](CCNC(=O)[C@H](C)CC[NH+](C)C)CC1 ZINC001568458361 1169297981 /nfs/dbraw/zinc/29/79/81/1169297981.db2.gz QNWAPXAPARBQEK-CQSZACIVSA-N 2 0 267.417 1.342 10 0 CDAERP COC[C@@H](C)[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001411225298 927266181 /nfs/dbraw/zinc/26/61/81/927266181.db2.gz QUFOUAGLPINXLU-CHWSQXEVSA-N 2 0 287.448 1.094 10 0 CDAERP Cc1cc([C@H]([NH3+])CC(=O)N[C@H](C)C[C@@H](C)[NH3+])cc(Cl)n1 ZINC000843506889 937157121 /nfs/dbraw/zinc/15/71/21/937157121.db2.gz KMYGAYQGNDXKKE-KBVBSXBZSA-N 2 0 298.818 1.675 10 0 CDAERP COc1c[nH+]ccc1N1CC[NH+]([C@H]2CC[C@@H](OC)C2)CC1 ZINC000852002575 927688741 /nfs/dbraw/zinc/68/87/41/927688741.db2.gz DDULDPQCCKMVDH-UONOGXRCSA-N 2 0 291.395 1.780 10 0 CDAERP Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]CCn2ccnc2)n(C)n1 ZINC000852655887 927839900 /nfs/dbraw/zinc/83/99/00/927839900.db2.gz DVUBRISMPOLAND-GOEBONIOSA-N 2 0 287.411 1.926 10 0 CDAERP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C=C1CC[NH2+]CC1 ZINC000852884301 927908266 /nfs/dbraw/zinc/90/82/66/927908266.db2.gz IALSBZXHNYVPRF-OCCSQVGLSA-N 2 0 265.401 1.095 10 0 CDAERP CO[C@H](C)C[NH2+]CCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001317636694 928261233 /nfs/dbraw/zinc/26/12/33/928261233.db2.gz QCJYRBNZGFCTJB-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP COC(=O)C1=CC[C@H]([NH2+][C@H]2CCCCC[C@H]2[NH3+])C1 ZINC000863540773 929566783 /nfs/dbraw/zinc/56/67/83/929566783.db2.gz DIYVQJXXKYMPQH-XQQFMLRXSA-N 2 0 252.358 1.498 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1cccnc1Cl ZINC000863543786 929566831 /nfs/dbraw/zinc/56/68/31/929566831.db2.gz YRGHUPGHGBHUBB-JTQLQIEISA-N 2 0 257.765 1.622 10 0 CDAERP C[N@@H+]1C[C@H]2CCN(C(=O)CCCC[NH+]3CCCC3)[C@H]2C1 ZINC000816955074 930396922 /nfs/dbraw/zinc/39/69/22/930396922.db2.gz SOBKKGUUMUMAOW-CABCVRRESA-N 2 0 279.428 1.415 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)C[C@H](O)c1ccccc1 ZINC000817906247 930625321 /nfs/dbraw/zinc/62/53/21/930625321.db2.gz ZBGOXGIPDJWZKM-BPUTZDHNSA-N 2 0 280.412 1.842 10 0 CDAERP O[C@H](C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000819274126 930785087 /nfs/dbraw/zinc/78/50/87/930785087.db2.gz HKVSVKNVKBWLNU-DOTOQJQBSA-N 2 0 274.408 1.869 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+]CC=C(C)C ZINC001274974619 931621574 /nfs/dbraw/zinc/62/15/74/931621574.db2.gz TTZVGGSBMHUAMH-CYBMUJFWSA-N 2 0 255.406 1.389 10 0 CDAERP CC(C)[C@H](C(=O)NC1CC(C[NH2+]CCF)C1)[NH+](C)C ZINC001275284377 931723966 /nfs/dbraw/zinc/72/39/66/931723966.db2.gz JVJXOWLLNXFYCF-WXRRBKDZSA-N 2 0 273.396 1.027 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001411782220 932020497 /nfs/dbraw/zinc/02/04/97/932020497.db2.gz YFSDVGOMJZCJMF-GJZGRUSLSA-N 2 0 281.444 1.661 10 0 CDAERP CC(C)[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001275827650 932069463 /nfs/dbraw/zinc/06/94/63/932069463.db2.gz KILWLOUKBOBIAD-KGLIPLIRSA-N 2 0 269.433 1.704 10 0 CDAERP O=C(CC[N@H+]1CC[C@H](F)C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC001412481258 932448678 /nfs/dbraw/zinc/44/86/78/932448678.db2.gz KVLCKIXOZIXAQE-KBPBESRZSA-N 2 0 283.391 1.117 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H](CC[NH+](C)C)C2)C1 ZINC001412578518 932516934 /nfs/dbraw/zinc/51/69/34/932516934.db2.gz ZPAYHAIHNSHDOE-CVEARBPZSA-N 2 0 295.471 1.909 10 0 CDAERP [NH3+][C@@H]1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001118266355 937610225 /nfs/dbraw/zinc/61/02/25/937610225.db2.gz QFFKCZHKKUZCID-GUTXKFCHSA-N 2 0 265.401 1.106 10 0 CDAERP CC[C@H](C[C@](C)(O)CC)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000924755368 932819724 /nfs/dbraw/zinc/81/97/24/932819724.db2.gz IOUFEALIPJKITR-RBSFLKMASA-N 2 0 272.433 1.362 10 0 CDAERP C[C@@H]1CC2(CC([NH2+]CCCN3CCC[N@H+](C)CC3)C2)CO1 ZINC000924967137 932838130 /nfs/dbraw/zinc/83/81/30/932838130.db2.gz TZLZNXLSHXJDSH-KLAILNCOSA-N 2 0 295.471 1.561 10 0 CDAERP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)C(C)(C)CO ZINC000925092760 932851228 /nfs/dbraw/zinc/85/12/28/932851228.db2.gz DKSRKGGIODOIEP-ZIAGYGMSSA-N 2 0 284.444 1.484 10 0 CDAERP CC(C)[C@H]1COCC[C@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000925215808 932861321 /nfs/dbraw/zinc/86/13/21/932861321.db2.gz PGCVLBLYCOKGNV-IAGOWNOFSA-N 2 0 297.487 1.663 10 0 CDAERP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1nn(CC)nc1C ZINC000925240015 932862660 /nfs/dbraw/zinc/86/26/60/932862660.db2.gz HLFUIDZWOGQTGQ-JSGCOSHPSA-N 2 0 297.447 1.614 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)N[C@H]1CC[NH+](C)[C@@H]1C ZINC000925343790 932875671 /nfs/dbraw/zinc/87/56/71/932875671.db2.gz QFZGKHUWXHDFNX-OLZOCXBDSA-N 2 0 284.448 1.499 10 0 CDAERP CC(C)C[C@H](CCO)C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925527646 932899817 /nfs/dbraw/zinc/89/98/17/932899817.db2.gz PHNVUXHLSCYJQZ-BFHYXJOUSA-N 2 0 254.418 1.891 10 0 CDAERP CN(CC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)c1ccccc1 ZINC000925538223 932901803 /nfs/dbraw/zinc/90/18/03/932901803.db2.gz PUVXQKXRSAIWSE-CABCVRRESA-N 2 0 259.397 1.982 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCCN2CCCCC2=O)C1 ZINC000925549994 932902808 /nfs/dbraw/zinc/90/28/08/932902808.db2.gz OSBJJZSYTGTYSH-ZIAGYGMSSA-N 2 0 281.444 1.885 10 0 CDAERP C[C@H](CCS(C)(=O)=O)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925560531 932905654 /nfs/dbraw/zinc/90/56/54/932905654.db2.gz MRGOPSGSLMFETN-WOPDTQHZSA-N 2 0 276.446 1.305 10 0 CDAERP CCn1cc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)cn1 ZINC000925568971 932906928 /nfs/dbraw/zinc/90/69/28/932906928.db2.gz NJOCHSMNERIVNM-QWHCGFSZSA-N 2 0 250.390 1.899 10 0 CDAERP C[C@H](CC(N)=O)[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925576801 932908424 /nfs/dbraw/zinc/90/84/24/932908424.db2.gz ZAXAVVLDXLIYKA-KGYLQXTDSA-N 2 0 253.390 1.008 10 0 CDAERP COCCC[NH+]1CCC(N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925575415 932908456 /nfs/dbraw/zinc/90/84/56/932908456.db2.gz GNFZFXSABMWFDQ-HNNXBMFYSA-N 2 0 281.444 1.362 10 0 CDAERP COCCN(C)CC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925575960 932908503 /nfs/dbraw/zinc/90/85/03/932908503.db2.gz HWAYCKAVUKPRAH-HZPDHXFCSA-N 2 0 283.460 1.323 10 0 CDAERP CC1(C)[C@H]([NH2+]CCCNC(=O)C2CCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925577463 932909044 /nfs/dbraw/zinc/90/90/44/932909044.db2.gz RDDUWERRFLWVIO-QLFBSQMISA-N 2 0 293.455 1.659 10 0 CDAERP COCCN(C)CC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925577236 932909392 /nfs/dbraw/zinc/90/93/92/932909392.db2.gz MWQSCFXDNDSNFG-CHWSQXEVSA-N 2 0 257.422 1.060 10 0 CDAERP COCCN(C)CC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925577239 932909680 /nfs/dbraw/zinc/90/96/80/932909680.db2.gz MWQSCFXDNDSNFG-STQMWFEESA-N 2 0 257.422 1.060 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCNc2ccccn2)C1 ZINC000925624413 932916262 /nfs/dbraw/zinc/91/62/62/932916262.db2.gz XCMYNYMWNSDCNA-CHWSQXEVSA-N 2 0 262.401 1.989 10 0 CDAERP C[C@H](O)C[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925636647 932918872 /nfs/dbraw/zinc/91/88/72/932918872.db2.gz ZGVANNNHLXEIFP-VIRABCJISA-N 2 0 254.418 1.904 10 0 CDAERP CC1(C)C[C@@H]([NH2+]C[C@H](CO)[C@H]2CCOC2)C[C@@H]([NH3+])C1 ZINC000925654276 932922615 /nfs/dbraw/zinc/92/26/15/932922615.db2.gz FSKOSZHAXDHZCD-DGAVXFQQSA-N 2 0 270.417 1.127 10 0 CDAERP CO[C@H]1C[C@H](C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])C1 ZINC000925734940 932935191 /nfs/dbraw/zinc/93/51/91/932935191.db2.gz DEJWDKAJXPHUFB-DTZQCDIJSA-N 2 0 262.397 1.960 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(C)nc1Cl ZINC000925767649 932937411 /nfs/dbraw/zinc/93/74/11/932937411.db2.gz XCKLGPJJDXXODG-LBPRGKRZSA-N 2 0 271.792 1.887 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000925784894 932939494 /nfs/dbraw/zinc/93/94/94/932939494.db2.gz TWABDQAHHOPFGX-TXCZRRACSA-N 2 0 273.424 1.847 10 0 CDAERP C[C@H]1NCCC[C@H]1[NH2+]CC1CCC(S(C)(=O)=O)CC1 ZINC000925797515 932940376 /nfs/dbraw/zinc/94/03/76/932940376.db2.gz IDCWNCCHDMFHQR-BLYZHGLHSA-N 2 0 288.457 1.320 10 0 CDAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925816068 932941440 /nfs/dbraw/zinc/94/14/40/932941440.db2.gz DFHIMDVITCKKHC-GDBMZVCRSA-N 3 0 282.476 1.310 10 0 CDAERP CCO[C@H]1C[C@H]([NH2+]CCN2CCC([NH3+])CC2)C1(CC)CC ZINC000925813891 932941450 /nfs/dbraw/zinc/94/14/50/932941450.db2.gz DGZBMHOTVAYHAD-HOTGVXAUSA-N 2 0 297.487 1.983 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@@H]2CCCc3cccnc32)CC1 ZINC000925816056 932941687 /nfs/dbraw/zinc/94/16/87/932941687.db2.gz CWUQVESXAKQSDQ-OAHLLOKOSA-N 2 0 274.412 1.472 10 0 CDAERP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925842721 932944396 /nfs/dbraw/zinc/94/43/96/932944396.db2.gz BVQYZLCNEBVTBW-HZPDHXFCSA-N 3 0 282.476 1.040 10 0 CDAERP Cc1cc(CC[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)nn1C ZINC000925835841 932944529 /nfs/dbraw/zinc/94/45/29/932944529.db2.gz XESIXRJQNUXCAM-QLFBSQMISA-N 2 0 276.428 1.637 10 0 CDAERP C[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1cnccc1N ZINC000925847399 932945710 /nfs/dbraw/zinc/94/57/10/932945710.db2.gz RKZFJOSBZSCVPZ-AWEZNQCLSA-N 2 0 291.443 1.220 10 0 CDAERP COCC1CCC([NH2+]CCCCCN2CC[NH2+]CC2)CC1 ZINC000925847746 932945944 /nfs/dbraw/zinc/94/59/44/932945944.db2.gz VGOPHNOQWUHQJZ-UHFFFAOYSA-N 2 0 297.487 1.857 10 0 CDAERP C[C@@H]([NH2+]C[C@@H]1COCCN1C)c1cccc(C[NH+](C)C)c1 ZINC000926759455 933020902 /nfs/dbraw/zinc/02/09/02/933020902.db2.gz FOAMEVOGJYYFDZ-RHSMWYFYSA-N 2 0 291.439 1.729 10 0 CDAERP C[C@H]1[C@H](NC(=O)CCCC[NH+]2CCCC2)CC[N@@H+]1C ZINC000928444327 933147443 /nfs/dbraw/zinc/14/74/43/933147443.db2.gz KSVOTTHVFGKCFP-UONOGXRCSA-N 2 0 267.417 1.461 10 0 CDAERP COC(=O)/C(C)=C\C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000691899199 933176606 /nfs/dbraw/zinc/17/66/06/933176606.db2.gz QWFIIXVCGKYXKA-CPSFFCFKSA-N 2 0 280.412 1.914 10 0 CDAERP C[C@@H](CNC(=O)C[N@@H+]1CCC[C@H]1C)[NH+]1CCC[C@H]1C ZINC000929754217 933266275 /nfs/dbraw/zinc/26/62/75/933266275.db2.gz LABWVBFRRTZDFO-MCIONIFRSA-N 2 0 267.417 1.460 10 0 CDAERP C[C@@H](O)CCC[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000691910734 933266438 /nfs/dbraw/zinc/26/64/38/933266438.db2.gz GZUQBMDPYRTFOU-CQSZACIVSA-N 2 0 254.418 1.955 10 0 CDAERP CCC[NH+]1CCC([N@H+](C)C[C@@H]2C[C@H]3COC[C@H]3O2)CC1 ZINC000929776987 933267986 /nfs/dbraw/zinc/26/79/86/933267986.db2.gz DZMCASOLTUNAMW-CWRNSKLLSA-N 2 0 282.428 1.597 10 0 CDAERP COCC[N@@H+](Cc1[nH]c(C)nc1C)CC1CC[NH+](C)CC1 ZINC000931380336 933549663 /nfs/dbraw/zinc/54/96/63/933549663.db2.gz JHLMHZJGSWNINC-UHFFFAOYSA-N 2 0 294.443 1.817 10 0 CDAERP CCC1([NH+]2CCCCC2)CCN(C[C@H](O)CO)CC1 ZINC000931685069 933607506 /nfs/dbraw/zinc/60/75/06/933607506.db2.gz YIEPSHUUFCPMSY-AWEZNQCLSA-N 2 0 270.417 1.070 10 0 CDAERP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCO[C@@H](C(F)(F)F)CC2)C1 ZINC000687576045 934315475 /nfs/dbraw/zinc/31/54/75/934315475.db2.gz GUHWMNGHXSMOOA-KXUCPTDWSA-N 2 0 252.280 1.377 10 0 CDAERP CC[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)CCS(C)(=O)=O ZINC000688570301 934651733 /nfs/dbraw/zinc/65/17/33/934651733.db2.gz PYXNHGFQIQQROK-AGUYFDCRSA-N 2 0 288.457 1.274 10 0 CDAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CC(CC(N)=O)C1 ZINC000718421339 934820507 /nfs/dbraw/zinc/82/05/07/934820507.db2.gz OLARGMXXRLSCGB-NELGMTEASA-N 2 0 267.417 1.541 10 0 CDAERP COCC(C)(C)CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000718697363 934830270 /nfs/dbraw/zinc/83/02/70/934830270.db2.gz WIGAPRZUSBYKDA-MEBFFEOJSA-N 2 0 252.402 1.635 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001412916459 935090844 /nfs/dbraw/zinc/09/08/44/935090844.db2.gz AWDCRZDMJFGKED-KFWWJZLASA-N 2 0 299.459 1.142 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H]2CSCCS2)C12CCC2 ZINC000405261710 940977718 /nfs/dbraw/zinc/97/77/18/940977718.db2.gz PDYAQYWVCLJQQI-HBNTYKKESA-N 2 0 258.456 1.695 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@@H]1CNC(=O)Cc1[nH]cnc1C ZINC001276964511 941743481 /nfs/dbraw/zinc/74/34/81/941743481.db2.gz UAUVVRQGSFVMHY-ISZGNANSSA-N 2 0 290.411 1.807 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H](C)C2(C)CC2)CC1 ZINC001473854402 970864016 /nfs/dbraw/zinc/86/40/16/970864016.db2.gz HUAYTUBWUCQHMK-CYBMUJFWSA-N 2 0 281.444 1.754 10 0 CDAERP CC(C)=CC[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001277165285 942091887 /nfs/dbraw/zinc/09/18/87/942091887.db2.gz WXBQEIKHXGILPS-CQSZACIVSA-N 2 0 281.444 1.777 10 0 CDAERP CCN(CC[NH2+]C[C@H](C)OC)C(=O)C[NH+]1CCC(C)CC1 ZINC001568786242 1169475397 /nfs/dbraw/zinc/47/53/97/1169475397.db2.gz RVVWBRGZDWFRFV-HNNXBMFYSA-N 2 0 299.459 1.191 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CCF)CC1 ZINC001280367950 942430583 /nfs/dbraw/zinc/43/05/83/942430583.db2.gz XHQFGJBLZOQQAU-KKUMJFAQSA-N 2 0 299.434 1.705 10 0 CDAERP CC(C)[NH+](C)C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001277447824 942588975 /nfs/dbraw/zinc/58/89/75/942588975.db2.gz RKHVTILMWSFQQB-UHFFFAOYSA-N 2 0 269.433 1.658 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCCC[C@H]1C[NH2+]CCF ZINC001281868079 942627125 /nfs/dbraw/zinc/62/71/25/942627125.db2.gz DQYWGIOKCYWMQY-GJZGRUSLSA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001282139678 942667855 /nfs/dbraw/zinc/66/78/55/942667855.db2.gz DQUORPJIRFDJGP-VXGBXAGGSA-N 2 0 255.406 1.362 10 0 CDAERP CCOCCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001283631399 942952961 /nfs/dbraw/zinc/95/29/61/942952961.db2.gz KBJBHTIFWYDIMS-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP COCCC[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001283655755 942960891 /nfs/dbraw/zinc/96/08/91/942960891.db2.gz ZEGRGBSEYPLBOT-CQSZACIVSA-N 2 0 299.459 1.334 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001265630982 944451791 /nfs/dbraw/zinc/45/17/91/944451791.db2.gz UISLMQZRCWPUIF-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001265863348 944545879 /nfs/dbraw/zinc/54/58/79/944545879.db2.gz AZALKRUTHXZROW-CHWSQXEVSA-N 2 0 255.406 1.223 10 0 CDAERP CC/C=C\CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001278016713 944587848 /nfs/dbraw/zinc/58/78/48/944587848.db2.gz DTOKINHPOODPKQ-WJNHHXLDSA-N 2 0 281.444 1.731 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC[C@H]2CCC[N@H+](C)C2)C1 ZINC001362272236 971099768 /nfs/dbraw/zinc/09/97/68/971099768.db2.gz UNJQSRKXLKWXST-QLFBSQMISA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001362345323 971174822 /nfs/dbraw/zinc/17/48/22/971174822.db2.gz GULYYURTUNQCLM-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001362381903 971213036 /nfs/dbraw/zinc/21/30/36/971213036.db2.gz CTIIKNRTBVAQAG-HOCLYGCPSA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@@H](C(=O)NC/C=C\C[NH2+]C/C=C\Cl)[NH+](C)C ZINC001568920308 1169547176 /nfs/dbraw/zinc/54/71/76/1169547176.db2.gz SGCNNVFGIPHTRD-MRYKXYHBSA-N 2 0 273.808 1.341 10 0 CDAERP CC[C@@H](F)C[NH2+]C/C=C/CNC(=O)C[NH+]1CCC(C)CC1 ZINC001568939450 1169554928 /nfs/dbraw/zinc/55/49/28/1169554928.db2.gz MIZUADITDMWACH-MBVDDHJVSA-N 2 0 299.434 1.728 10 0 CDAERP CC[N@H+](CCO)CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001479855671 971455184 /nfs/dbraw/zinc/45/51/84/971455184.db2.gz COKWEZBTKOCVOS-HNNXBMFYSA-N 2 0 299.459 1.071 10 0 CDAERP O=C(NCCC[N@H+](CC1CC1)C1CC1)C12CC[NH+](CC1)C2 ZINC001479878838 971467336 /nfs/dbraw/zinc/46/73/36/971467336.db2.gz MVJAGSVAXYNWCU-UHFFFAOYSA-N 2 0 291.439 1.463 10 0 CDAERP C[N@@H+]1CCC[C@H](CCNC(=O)CC[NH+]2CC[C@H](F)C2)C1 ZINC001362709449 971549035 /nfs/dbraw/zinc/54/90/35/971549035.db2.gz ZDXHVNAITDEBHV-KGLIPLIRSA-N 2 0 285.407 1.268 10 0 CDAERP O=C(NC[C@@H]([NH2+]C/C=C\Cl)C1CC1)C12CC[NH+](CC1)C2 ZINC001480059822 971558736 /nfs/dbraw/zinc/55/87/36/971558736.db2.gz KAJGEMIICXAGCM-WVCAGCIPSA-N 2 0 297.830 1.319 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001480138612 971598867 /nfs/dbraw/zinc/59/88/67/971598867.db2.gz IZDUJEJZTLKOJC-NMFUWQPSSA-N 2 0 297.418 1.313 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001278522288 949713100 /nfs/dbraw/zinc/71/31/00/949713100.db2.gz WCNMHEMDNPHXNK-KGLIPLIRSA-N 2 0 269.433 1.563 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC[C@@H](C)F)C2)CC[N@@H+]1C ZINC001480206337 971628376 /nfs/dbraw/zinc/62/83/76/971628376.db2.gz ZYCOVNJWZZNMDB-NIFZNCRKSA-N 2 0 299.434 1.702 10 0 CDAERP COCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001480288477 971660435 /nfs/dbraw/zinc/66/04/35/971660435.db2.gz QCESVEVPNBGKMS-GJZGRUSLSA-N 2 0 299.459 1.047 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001480597731 971799622 /nfs/dbraw/zinc/79/96/22/971799622.db2.gz SYPZYOFHNYGLPD-ZIAGYGMSSA-N 2 0 299.459 1.236 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH+]1CC[C@@H](F)C1 ZINC001363037667 971834401 /nfs/dbraw/zinc/83/44/01/971834401.db2.gz DXSZIEAFSFXCNI-CHWSQXEVSA-N 2 0 271.380 1.021 10 0 CDAERP CCCC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001480753454 971863888 /nfs/dbraw/zinc/86/38/88/971863888.db2.gz GVPPDQSBDVRATD-QWHCGFSZSA-N 2 0 255.406 1.365 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[NH+](CCCCCF)C1 ZINC001324590156 953455847 /nfs/dbraw/zinc/45/58/47/953455847.db2.gz UJTCEJIVEAWCDZ-HOCLYGCPSA-N 2 0 299.434 1.801 10 0 CDAERP C[NH+](C)CC1(C(=O)N2CC[C@@](C)(C[NH2+]CCF)C2)CC1 ZINC001324774871 953570422 /nfs/dbraw/zinc/57/04/22/953570422.db2.gz DLOPDIWSCQSRLM-AWEZNQCLSA-N 2 0 285.407 1.126 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001493131155 971956125 /nfs/dbraw/zinc/95/61/25/971956125.db2.gz YMDFUYSQYSOUAM-KGLIPLIRSA-N 2 0 299.434 1.657 10 0 CDAERP CCCC[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001493129310 971956560 /nfs/dbraw/zinc/95/65/60/971956560.db2.gz AITUYMUGOSYGDF-CYBMUJFWSA-N 2 0 255.406 1.319 10 0 CDAERP CC[N@H+]1CC=C(CNC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001333456855 953918640 /nfs/dbraw/zinc/91/86/40/953918640.db2.gz DRVIGPZTBLXXFD-OKILXGFUSA-N 2 0 279.428 1.627 10 0 CDAERP C[C@@H]([NH2+][C@@H]1CCO[C@H](c2ccncc2)C1)C1C[NH2+]C1 ZINC001326413903 954369766 /nfs/dbraw/zinc/36/97/66/954369766.db2.gz MUVGIXIMEMRSHU-DFBGVHRSSA-N 2 0 261.369 1.499 10 0 CDAERP CC[C@@H](F)C[NH2+]CC[C@@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001326446533 954383865 /nfs/dbraw/zinc/38/38/65/954383865.db2.gz OSSLVBKTWSRVSS-ZIAGYGMSSA-N 2 0 296.390 1.459 10 0 CDAERP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CC1CCCC1 ZINC001493332651 972018641 /nfs/dbraw/zinc/01/86/41/972018641.db2.gz SQLAMDODXXUJTQ-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP O=C(NCCN(CCF)C1CC1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001493430480 972048936 /nfs/dbraw/zinc/04/89/36/972048936.db2.gz RDGVSECFRJSWBY-LSDHHAIUSA-N 2 0 297.418 1.553 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@H]([N@@H+](C)CC)C1 ZINC001364608129 954887090 /nfs/dbraw/zinc/88/70/90/954887090.db2.gz PAVYPECCSXHWPY-KGLIPLIRSA-N 2 0 284.448 1.452 10 0 CDAERP CCC[N@@H+]1CCCC[C@@H]1C(=O)NCCCC[NH+](C)C ZINC001328075838 955183597 /nfs/dbraw/zinc/18/35/97/955183597.db2.gz KLJFDEXLRNECKQ-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC)CC1(C)C)[NH+](C)C ZINC001328098730 955190354 /nfs/dbraw/zinc/19/03/54/955190354.db2.gz PLYISOIDFRKTPZ-OLZOCXBDSA-N 2 0 269.433 1.563 10 0 CDAERP CC[C@@H](C)C[NH2+]CCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001569203056 1169718674 /nfs/dbraw/zinc/71/86/74/1169718674.db2.gz NYSIHDMCYMJHHQ-ZBFHGGJFSA-N 2 0 295.471 1.812 10 0 CDAERP C[NH+](C)CCC(=O)NCC1([NH2+]Cc2ccns2)CCC1 ZINC001421772035 955536254 /nfs/dbraw/zinc/53/62/54/955536254.db2.gz SFXOVQNSQIBLFP-UHFFFAOYSA-N 2 0 296.440 1.223 10 0 CDAERP CCC[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CCCC1 ZINC001421834535 955583632 /nfs/dbraw/zinc/58/36/32/955583632.db2.gz QXFCHBJOPPEDHA-HNNXBMFYSA-N 2 0 293.455 1.757 10 0 CDAERP CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001422078156 955735458 /nfs/dbraw/zinc/73/54/58/955735458.db2.gz AUKOPSCKRHMDLX-GJZGRUSLSA-N 2 0 283.460 2.000 10 0 CDAERP COC[C@H](C)[NH2+][C@@H](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001493836062 972123392 /nfs/dbraw/zinc/12/33/92/972123392.db2.gz IPBYZTGMKHOQPA-KBPBESRZSA-N 2 0 299.459 1.190 10 0 CDAERP CCN(CC[NH2+][C@@H](C)COC)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001422451127 956018876 /nfs/dbraw/zinc/01/88/76/956018876.db2.gz VSQVRVBRYQKBBA-AWEZNQCLSA-N 2 0 299.459 1.334 10 0 CDAERP CC[C@@H](C(=O)NC[C@H](C)[N@H+](C)CCC(C)C)[NH+](C)C ZINC001422585465 956174506 /nfs/dbraw/zinc/17/45/06/956174506.db2.gz JWPXHYKBLJUHSC-KBPBESRZSA-N 2 0 271.449 1.809 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001365845249 956401679 /nfs/dbraw/zinc/40/16/79/956401679.db2.gz MENLFIQOWNBWAR-RBSFLKMASA-N 2 0 293.455 1.613 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]CC1CCC1)C1CC1 ZINC001366037766 956525683 /nfs/dbraw/zinc/52/56/83/956525683.db2.gz BYKIUKDIEPEFCT-CVEARBPZSA-N 2 0 293.455 1.755 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]([NH2+]CC2CCC2)C2CC2)C1 ZINC001366063284 956541916 /nfs/dbraw/zinc/54/19/16/956541916.db2.gz NHJTVMAWVRMMSL-GDBMZVCRSA-N 2 0 293.455 1.613 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]C/C=C/Cl)C1 ZINC001366131526 956588214 /nfs/dbraw/zinc/58/82/14/956588214.db2.gz NDLJIYXTWPDXCB-NWRVEDBNSA-N 2 0 273.808 1.316 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC1CC1 ZINC001366293882 956716702 /nfs/dbraw/zinc/71/67/02/956716702.db2.gz AFSWZVVGXBFUMT-HIFRSBDPSA-N 2 0 281.444 1.611 10 0 CDAERP CCC[NH2+]CCC[C@H](C)NC(=O)Cn1ccnc1C ZINC001330977294 956738833 /nfs/dbraw/zinc/73/88/33/956738833.db2.gz QRIBWWKFCAFAQX-LBPRGKRZSA-N 2 0 266.389 1.476 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC2CC2)C[C@H]1C ZINC001423446907 956787478 /nfs/dbraw/zinc/78/74/78/956787478.db2.gz CNGIKOAOTSZYOP-HIFRSBDPSA-N 2 0 281.444 1.706 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001366397441 956795951 /nfs/dbraw/zinc/79/59/51/956795951.db2.gz DBFREFBFXDFTKR-KGLIPLIRSA-N 2 0 299.434 1.514 10 0 CDAERP C[C@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCC1CC1 ZINC001366467400 956852036 /nfs/dbraw/zinc/85/20/36/956852036.db2.gz DLVVKVMWVWXELJ-UKRRQHHQSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@H](C(=O)N(C)[C@@H](C[NH2+]C(C)C)C1CC1)[NH+](C)C ZINC001331345600 956981821 /nfs/dbraw/zinc/98/18/21/956981821.db2.gz GENGIRKOPCITHI-KGLIPLIRSA-N 2 0 269.433 1.562 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[NH+]1CCCC1 ZINC001331355851 956989036 /nfs/dbraw/zinc/98/90/36/956989036.db2.gz VQQVZKPVTQAQQU-MRXNPFEDSA-N 2 0 293.455 1.875 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC2(C1)CC[NH+](C(C)C)CC2 ZINC001424112655 957124934 /nfs/dbraw/zinc/12/49/34/957124934.db2.gz NICOMBFSAWUWOX-UHFFFAOYSA-N 2 0 281.444 1.661 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CCF)C1 ZINC001366832338 957212022 /nfs/dbraw/zinc/21/20/22/957212022.db2.gz FHQISNWBFOFFLT-KBPBESRZSA-N 2 0 285.407 1.268 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC=C(C)C)C1 ZINC001317066591 957240790 /nfs/dbraw/zinc/24/07/90/957240790.db2.gz XYENUUFAYHNCIG-AWEZNQCLSA-N 2 0 267.417 1.485 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCCF)C1 ZINC001317128761 957289729 /nfs/dbraw/zinc/28/97/29/957289729.db2.gz RIRDGEVLFIGIOI-HZSPNIEDSA-N 2 0 285.407 1.457 10 0 CDAERP CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]CCOC(C)C)C1)[NH+](C)C ZINC001317340243 957431176 /nfs/dbraw/zinc/43/11/76/957431176.db2.gz VXBXUENGUHJQBM-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP Cc1ccc(C)c(C[NH2+]CCN(C)C(=O)CC[NH+](C)C)c1 ZINC001317624513 957606976 /nfs/dbraw/zinc/60/69/76/957606976.db2.gz XXTXUKKGQOAUMU-UHFFFAOYSA-N 2 0 291.439 1.803 10 0 CDAERP CC(C)[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)CC1CCC1 ZINC001317709332 957644335 /nfs/dbraw/zinc/64/43/35/957644335.db2.gz XAZZQRAKHLAGKU-MRXNPFEDSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001317812129 957675031 /nfs/dbraw/zinc/67/50/31/957675031.db2.gz VJUUAKFPVFGTKV-CQSZACIVSA-N 2 0 267.417 1.320 10 0 CDAERP CC[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CC1CC1 ZINC001367103621 957677123 /nfs/dbraw/zinc/67/71/23/957677123.db2.gz RXZDUIYVKVZSIH-CABCVRRESA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)[NH2+]CCF ZINC001367129105 957695480 /nfs/dbraw/zinc/69/54/80/957695480.db2.gz NMGWOHATQFJECM-KGLIPLIRSA-N 2 0 287.423 1.703 10 0 CDAERP CC[NH2+]CCC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001318894727 958295580 /nfs/dbraw/zinc/29/55/80/958295580.db2.gz ANDWNZZTHIDWDY-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001319168578 958409482 /nfs/dbraw/zinc/40/94/82/958409482.db2.gz VZCXWPQXHBTMJA-KGLIPLIRSA-N 2 0 269.433 1.469 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)C[NH2+]C(C)C)CC[N@@H+]1C ZINC001319189731 958422769 /nfs/dbraw/zinc/42/27/69/958422769.db2.gz PMNTUGRLMPNMDD-MELADBBJSA-N 2 0 269.433 1.467 10 0 CDAERP C[C@H](CNC(=O)C12CCC[NH+]1CCC2)C[NH2+]CCCF ZINC001319204487 958432204 /nfs/dbraw/zinc/43/22/04/958432204.db2.gz FVQVRUAFYMCHPL-ZDUSSCGKSA-N 2 0 285.407 1.316 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+]CC1CCCC1 ZINC001319237845 958449625 /nfs/dbraw/zinc/44/96/25/958449625.db2.gz JMKCMZZHLSOIRP-ZDUSSCGKSA-N 2 0 269.433 1.470 10 0 CDAERP CC(C)C[NH2+]C[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001319281061 958472645 /nfs/dbraw/zinc/47/26/45/958472645.db2.gz CMSVFOZBBASZNR-ZDUSSCGKSA-N 2 0 255.406 1.080 10 0 CDAERP CC[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CCCO ZINC001494982371 972361151 /nfs/dbraw/zinc/36/11/51/972361151.db2.gz YADNVUSWLYJOMM-AWEZNQCLSA-N 2 0 299.459 1.118 10 0 CDAERP CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001319593030 958638724 /nfs/dbraw/zinc/63/87/24/958638724.db2.gz LOLBQDCUOHCKNT-ZIAGYGMSSA-N 2 0 269.433 1.563 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1C[C@@H](C)CC ZINC001368429673 958839866 /nfs/dbraw/zinc/83/98/66/958839866.db2.gz CDEHNIJJBSGARV-LSDHHAIUSA-N 2 0 283.460 1.907 10 0 CDAERP CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001368642533 959012503 /nfs/dbraw/zinc/01/25/03/959012503.db2.gz YSJQFJCKPUXNLX-BFHYXJOUSA-N 2 0 287.423 1.561 10 0 CDAERP C[C@@H](CC[NH2+]CC1CCCC1)NC(=O)C[NH+]1CCCC1 ZINC001320638155 959286989 /nfs/dbraw/zinc/28/69/89/959286989.db2.gz CLBWHKCUYRCJSC-AWEZNQCLSA-N 2 0 281.444 1.757 10 0 CDAERP CCN(CC[NH2+]CC1CCCC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001320892046 959442321 /nfs/dbraw/zinc/44/23/21/959442321.db2.gz XQKQEHYTBYBCQE-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP CCN(CC[NH2+]CCCC(C)C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001320922248 959459742 /nfs/dbraw/zinc/45/97/42/959459742.db2.gz SMVITVSNISTJGC-OAHLLOKOSA-N 2 0 283.460 1.812 10 0 CDAERP C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CC1CCC1 ZINC001371253377 972434526 /nfs/dbraw/zinc/43/45/26/972434526.db2.gz RABWVQOGPJABIQ-CQSZACIVSA-N 2 0 293.455 1.757 10 0 CDAERP C[C@H]1[C@H]([NH2+]Cc2ccsc2)CCN1C(=O)CC[NH+](C)C ZINC001369401221 959665027 /nfs/dbraw/zinc/66/50/27/959665027.db2.gz ZMKJVGWAKSFNMC-GXTWGEPZSA-N 2 0 295.452 1.779 10 0 CDAERP CC[C@H](F)C[NH2+]C/C=C\CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001321251532 959679399 /nfs/dbraw/zinc/67/93/99/959679399.db2.gz QXIWEQFPNMTOOZ-MRYXHSKJSA-N 2 0 285.407 1.338 10 0 CDAERP CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[NH+]1CC ZINC001369516583 959723455 /nfs/dbraw/zinc/72/34/55/959723455.db2.gz RWMWYUFSNXDCPL-CABCVRRESA-N 2 0 299.459 1.022 10 0 CDAERP CC[C@H](C(=O)N(CC[N@H+](C)CC1CC1)C(C)C)[NH+](C)C ZINC001369528217 959741922 /nfs/dbraw/zinc/74/19/22/959741922.db2.gz GDUAYEFMXFQUHR-OAHLLOKOSA-N 2 0 283.460 1.905 10 0 CDAERP CC(C)C[C@H](C)C[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001321391680 959766187 /nfs/dbraw/zinc/76/61/87/959766187.db2.gz GTLICIZMUMOWOT-LGZALOBFSA-N 2 0 295.471 1.882 10 0 CDAERP CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]C(C)C ZINC001569340505 1169772484 /nfs/dbraw/zinc/77/24/84/1169772484.db2.gz NKOCPWRSQZXSPJ-KGLIPLIRSA-N 2 0 269.433 1.563 10 0 CDAERP C[C@H](O)CCC[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001321947972 960027670 /nfs/dbraw/zinc/02/76/70/960027670.db2.gz VFUXFMIKCFUJJW-KBPBESRZSA-N 2 0 299.459 1.116 10 0 CDAERP CC(C)CC[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001370366333 960071418 /nfs/dbraw/zinc/07/14/18/960071418.db2.gz QDRYMVDHGDGJJS-AWEZNQCLSA-N 2 0 281.444 1.707 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]([NH2+]C/C=C/Cl)C1 ZINC001370365447 960071542 /nfs/dbraw/zinc/07/15/42/960071542.db2.gz VDDBWVPQEXJFLE-VJLJCABFSA-N 2 0 299.846 1.804 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N[C@H](C[NH2+]CCCF)C2CC2)C1 ZINC001323063188 960428218 /nfs/dbraw/zinc/42/82/18/960428218.db2.gz KWTFKESGTNOLCH-GXTWGEPZSA-N 2 0 285.407 1.172 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)CC1 ZINC001434022139 960895858 /nfs/dbraw/zinc/89/58/58/960895858.db2.gz KMIUEWUWHDTDSN-HOTGVXAUSA-N 2 0 293.455 1.517 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2nccs2)C1 ZINC001418703265 960919951 /nfs/dbraw/zinc/91/99/51/960919951.db2.gz RVVJVFNMPSMUMQ-HAQNSBGRSA-N 2 0 296.440 1.079 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)C1 ZINC001434303154 961147975 /nfs/dbraw/zinc/14/79/75/961147975.db2.gz MBGXTTGBOWRJLS-JJXSEGSLSA-N 2 0 293.455 1.659 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CCC23CC[NH+](C)CC3)C1 ZINC001434416367 961334783 /nfs/dbraw/zinc/33/47/83/961334783.db2.gz VMQYJNXNEKWRKB-LSDHHAIUSA-N 2 0 293.455 1.804 10 0 CDAERP CC(C)[N@H+](C)CC1CC[NH+](CCNC(=O)C2CC2)CC1 ZINC001434459276 961439508 /nfs/dbraw/zinc/43/95/08/961439508.db2.gz JZNOCUIRSQCHNT-UHFFFAOYSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cccnc1 ZINC001419179825 961475287 /nfs/dbraw/zinc/47/52/87/961475287.db2.gz NKAFOMHNRINJDD-GJZGRUSLSA-N 2 0 290.411 1.160 10 0 CDAERP CCCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001419639717 961904550 /nfs/dbraw/zinc/90/45/50/961904550.db2.gz WOQDDRREOSWQNH-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H]([NH2+]CCF)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001436668855 962333788 /nfs/dbraw/zinc/33/37/88/962333788.db2.gz NUUHHXZLHBFYNR-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+]CC1CC(C)(C)C1 ZINC001420124048 962487313 /nfs/dbraw/zinc/48/73/13/962487313.db2.gz GQTPBDXPDUHJII-CYBMUJFWSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@H](C[NH2+]Cc1ccccn1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001420338410 962759533 /nfs/dbraw/zinc/75/95/33/962759533.db2.gz OEAXKXJWEJZYEL-ZIAGYGMSSA-N 2 0 290.411 1.018 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001437725921 963145440 /nfs/dbraw/zinc/14/54/40/963145440.db2.gz LATVLKFGTFTOCY-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]C(C)C)C1CC1 ZINC001420731916 963209200 /nfs/dbraw/zinc/20/92/00/963209200.db2.gz BFRUJLIGLBWIJC-CABCVRRESA-N 2 0 281.444 1.754 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001437931418 963245910 /nfs/dbraw/zinc/24/59/10/963245910.db2.gz MJMKKHMYDYOALX-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP CC[NH2+]Cc1ccc(CNC(=O)C[NH+]2CCCC2)cc1 ZINC001438446181 963450906 /nfs/dbraw/zinc/45/09/06/963450906.db2.gz RPBQPYYSQHKTMZ-UHFFFAOYSA-N 2 0 275.396 1.508 10 0 CDAERP COC[C@@H](C)[N@@H+]1CCC[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001421280667 963532366 /nfs/dbraw/zinc/53/23/66/963532366.db2.gz AQRCLSSIIJLLBY-ZBFHGGJFSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]CC1CCCC1 ZINC001438775671 963547657 /nfs/dbraw/zinc/54/76/57/963547657.db2.gz QCUIPNWJRDPFRT-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC1CC1 ZINC001438829625 963562563 /nfs/dbraw/zinc/56/25/63/963562563.db2.gz PRHPPVIVQDFLPR-ZFWWWQNUSA-N 2 0 281.444 1.469 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001569374606 1169826126 /nfs/dbraw/zinc/82/61/26/1169826126.db2.gz MVUHZENAWOBIFZ-XETQRACLSA-N 2 0 293.455 1.875 10 0 CDAERP CN(CC[N@H+](C)Cc1ccsc1)C(=O)C[NH+]1CCCC1 ZINC001438939578 963607733 /nfs/dbraw/zinc/60/77/33/963607733.db2.gz TWGYOEBKFCNSDY-UHFFFAOYSA-N 2 0 295.452 1.734 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CC[NH+]2CCCCCF)C1 ZINC001569379563 1169828946 /nfs/dbraw/zinc/82/89/46/1169828946.db2.gz DCABAAGUNSLJLD-HUUCEWRRSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCCF ZINC001439321127 963721690 /nfs/dbraw/zinc/72/16/90/963721690.db2.gz BVXKQGVVWKXYJR-KBPBESRZSA-N 2 0 287.423 1.655 10 0 CDAERP CC[C@H](F)C[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001439625911 963824452 /nfs/dbraw/zinc/82/44/52/963824452.db2.gz BYIYBQTYJKCTGY-ZDUSSCGKSA-N 2 0 297.418 1.601 10 0 CDAERP CC[C@H](C)C[NH2+]C1(CNC(=O)Cn2ccnc2C)CC1 ZINC001439672599 963835981 /nfs/dbraw/zinc/83/59/81/963835981.db2.gz ULYYQLLTWRYSMC-LBPRGKRZSA-N 2 0 278.400 1.476 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)C1C[NH+](CC2CCCC2)C1 ZINC001439756354 963853217 /nfs/dbraw/zinc/85/32/17/963853217.db2.gz FJLHIFXITMYMJL-UHFFFAOYSA-N 2 0 281.444 1.659 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001439851097 963881080 /nfs/dbraw/zinc/88/10/80/963881080.db2.gz NWEJQESUCPAMNI-NVXWUHKLSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001440425666 964036749 /nfs/dbraw/zinc/03/67/49/964036749.db2.gz GVAYJJOPXZIADR-UONOGXRCSA-N 2 0 287.423 1.609 10 0 CDAERP CC(C)C[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001440734504 964149972 /nfs/dbraw/zinc/14/99/72/964149972.db2.gz PKSOHYZSHKXZHD-OAHLLOKOSA-N 2 0 281.444 1.661 10 0 CDAERP CC[C@H](F)C[NH2+]CC1CC(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001440755186 964157640 /nfs/dbraw/zinc/15/76/40/964157640.db2.gz AGYPWWJEWFNKDS-BLZCZZARSA-N 2 0 299.434 1.561 10 0 CDAERP Cc1csc(C[NH2+][C@H](C)[C@H](C)NC(=O)CC[NH+](C)C)n1 ZINC001440825570 964198146 /nfs/dbraw/zinc/19/81/46/964198146.db2.gz CKEMBSOZUAQQMY-NEPJUHHUSA-N 2 0 298.456 1.386 10 0 CDAERP CCC[NH2+][C@H](C)[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001440836344 964203313 /nfs/dbraw/zinc/20/33/13/964203313.db2.gz MMGWQDAMUNRSPU-OLZOCXBDSA-N 2 0 271.449 1.857 10 0 CDAERP CC(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001441302980 964457754 /nfs/dbraw/zinc/45/77/54/964457754.db2.gz KMEIOBLGEXWWLA-PHZGNYQRSA-N 2 0 293.455 1.421 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]C(C)C ZINC001441547906 964582306 /nfs/dbraw/zinc/58/23/06/964582306.db2.gz PTFGGXBKTVQRSG-GJZGRUSLSA-N 2 0 283.460 1.952 10 0 CDAERP C[N@H+](CCNC(=O)Cc1cn2c(n1)CCCC2)CC1CC1 ZINC001442412837 965047235 /nfs/dbraw/zinc/04/72/35/965047235.db2.gz NBPNQRWDZXYTFT-UHFFFAOYSA-N 2 0 290.411 1.220 10 0 CDAERP CCCC[N@H+](CC)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001442666084 965168530 /nfs/dbraw/zinc/16/85/30/965168530.db2.gz SPYUWAAPQRMNOQ-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP CCC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001443238347 965410743 /nfs/dbraw/zinc/41/07/43/965410743.db2.gz QBQIPBBRAJFPER-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)C1([NH+](C)C)CCCC1 ZINC001443867023 965640201 /nfs/dbraw/zinc/64/02/01/965640201.db2.gz FDMJDKVPQITYOU-AWEZNQCLSA-N 2 0 281.444 1.851 10 0 CDAERP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cncc(C)c1 ZINC001443988939 965698860 /nfs/dbraw/zinc/69/88/60/965698860.db2.gz UORLAIOTJPPPOR-OAHLLOKOSA-N 2 0 292.427 1.326 10 0 CDAERP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)CC[NH+]1CC[C@H](F)C1 ZINC001444272389 965772247 /nfs/dbraw/zinc/77/22/47/965772247.db2.gz YZBIXDXGHCMCKD-KGLIPLIRSA-N 2 0 285.407 1.221 10 0 CDAERP CC(C)C[C@@H](C[NH2+]CC1CCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001444774261 965947533 /nfs/dbraw/zinc/94/75/33/965947533.db2.gz JMMFFEJPLRAUAA-CVEARBPZSA-N 2 0 295.471 1.859 10 0 CDAERP CCC[NH2+][C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001444872055 965984739 /nfs/dbraw/zinc/98/47/39/965984739.db2.gz KMRVNSARCURMEE-LSDHHAIUSA-N 2 0 281.444 1.469 10 0 CDAERP CC(C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[NH2+]CC1CC1 ZINC001444874383 965988097 /nfs/dbraw/zinc/98/80/97/965988097.db2.gz OKWSFMKGJRCDTD-HOTGVXAUSA-N 2 0 295.471 2.000 10 0 CDAERP CC1(c2nc(-c3ccn4c[nH+]cc4c3)no2)C[NH2+]C1 ZINC001349004362 966250009 /nfs/dbraw/zinc/25/00/09/966250009.db2.gz JWGHYWAYDPYVTN-UHFFFAOYSA-N 2 0 255.281 1.245 10 0 CDAERP CC(C)(C)CC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001446133270 966459704 /nfs/dbraw/zinc/45/97/04/966459704.db2.gz ZZYJERBBCQMACA-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@@H](F)C[NH+]1CCC(C)(NC(=O)C[NH+]2CCCC2)CC1 ZINC001446478581 966551616 /nfs/dbraw/zinc/55/16/16/966551616.db2.gz RATGYGZEGTUUHE-CQSZACIVSA-N 2 0 299.434 1.801 10 0 CDAERP C[C@]1(CNC(=O)C[NH+]2CCCC2)CCC[N@H+](CCCF)C1 ZINC001446687886 966616222 /nfs/dbraw/zinc/61/62/22/966616222.db2.gz UQVZGPRSOQYOCH-MRXNPFEDSA-N 2 0 299.434 1.660 10 0 CDAERP CC[C@@H](F)C[NH2+]CC1CC(NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001447797385 966880487 /nfs/dbraw/zinc/88/04/87/966880487.db2.gz KECWPYAQJVGOMH-ROKHWSDSSA-N 2 0 299.434 1.703 10 0 CDAERP CC(C)C[NH2+]CC1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001447816734 966884938 /nfs/dbraw/zinc/88/49/38/966884938.db2.gz AHHBGJFQQCMMKY-UHFFFAOYSA-N 2 0 279.428 1.223 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1nccs1 ZINC001447926444 966931097 /nfs/dbraw/zinc/93/10/97/966931097.db2.gz VDZPWDWBXRYCRM-RYUDHWBXSA-N 2 0 298.456 1.468 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CCCF ZINC001448032921 966969802 /nfs/dbraw/zinc/96/98/02/966969802.db2.gz JMZPBYYPPXSJCS-ZIAGYGMSSA-N 2 0 287.423 1.655 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC001543264777 967287353 /nfs/dbraw/zinc/28/73/53/967287353.db2.gz HLQYLAVBOMCHHJ-OLZOCXBDSA-N 2 0 255.406 1.032 10 0 CDAERP CO[C@H](C)C[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001449017400 967335839 /nfs/dbraw/zinc/33/58/39/967335839.db2.gz UFLIBHNWHGLLRQ-IIAWOOMASA-N 2 0 297.443 1.086 10 0 CDAERP C[C@@H](F)CC[NH2+]C1CC(N(C)C(=O)CCC[NH+](C)C)C1 ZINC001449386350 967450713 /nfs/dbraw/zinc/45/07/13/967450713.db2.gz QTBYAIVCMMHBOM-IYXRBSQSSA-N 2 0 287.423 1.655 10 0 CDAERP C[NH+](C)[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1(C)C ZINC001452124778 968069191 /nfs/dbraw/zinc/06/91/91/968069191.db2.gz FTZSUUZSRYOJPL-GBJTYRQASA-N 2 0 295.471 1.952 10 0 CDAERP CCN(C(=O)[C@H](C)CC[NH+](C)C)[C@H]1CC[N@H+](CC)C1 ZINC001300618985 968724650 /nfs/dbraw/zinc/72/46/50/968724650.db2.gz FNFYNISRUHTYKJ-KGLIPLIRSA-N 2 0 269.433 1.517 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)C1 ZINC000848923698 969356333 /nfs/dbraw/zinc/35/63/33/969356333.db2.gz PDADHVGULSVVIY-AJNFDDFZSA-N 2 0 297.443 1.972 10 0 CDAERP CCn1ccnc1CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000849036616 969420642 /nfs/dbraw/zinc/42/06/42/969420642.db2.gz WPUIQKDNCPOUKC-LBPRGKRZSA-N 2 0 278.404 1.001 10 0 CDAERP CCOCCCNC(=[NH2+])NCc1ccc2c[nH+]cn2c1 ZINC000849040251 969425939 /nfs/dbraw/zinc/42/59/39/969425939.db2.gz OLQQNPQVYXPHHO-UHFFFAOYSA-N 2 0 275.356 1.375 10 0 CDAERP C[NH+](C)C1(C(=O)NCC2([NH+](C)C)CCOCC2)CCCC1 ZINC001465205010 969852945 /nfs/dbraw/zinc/85/29/45/969852945.db2.gz JQQWGYSPLYNLTJ-UHFFFAOYSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC001466010555 969913835 /nfs/dbraw/zinc/91/38/35/969913835.db2.gz GOXMGLUEDSZRAZ-JHJVBQTASA-N 2 0 267.417 1.316 10 0 CDAERP CN(CC1CC[NH+](C)CC1)C(=O)C1([NH+](C)C)CCCC1 ZINC001361799051 970543280 /nfs/dbraw/zinc/54/32/80/970543280.db2.gz NXNCYSVLHLUGQV-UHFFFAOYSA-N 2 0 281.444 1.661 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001371630017 972569589 /nfs/dbraw/zinc/56/95/89/972569589.db2.gz JDSXRWSOFDADLF-GJZGRUSLSA-N 2 0 281.444 1.422 10 0 CDAERP CCCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001495692483 972597876 /nfs/dbraw/zinc/59/78/76/972597876.db2.gz JMWLNVVBNDMNQA-UONOGXRCSA-N 2 0 269.433 1.613 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+](CCC(F)(F)F)C1 ZINC001372656313 973064902 /nfs/dbraw/zinc/06/49/02/973064902.db2.gz VLLIBKQLENVULG-LLVKDONJSA-N 2 0 295.349 1.329 10 0 CDAERP CCC[N@H+](C)CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001496842393 973117548 /nfs/dbraw/zinc/11/75/48/973117548.db2.gz YWTDEEJGMGMMPI-OKILXGFUSA-N 2 0 269.433 1.659 10 0 CDAERP CC[NH2+]CC[C@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001497228557 973253684 /nfs/dbraw/zinc/25/36/84/973253684.db2.gz LGPRSXCXJANNCG-LBPRGKRZSA-N 2 0 287.367 1.385 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)CC[NH+]2CC[C@@H](F)C2)C1 ZINC001417676156 973273105 /nfs/dbraw/zinc/27/31/05/973273105.db2.gz HGVOEVRHYQWNCB-HUUCEWRRSA-N 2 0 299.434 1.514 10 0 CDAERP CCC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001497397127 973330799 /nfs/dbraw/zinc/33/07/99/973330799.db2.gz NWRYBOKMGCKAQD-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP CCC[NH+](CCO)[C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001417829552 973408016 /nfs/dbraw/zinc/40/80/16/973408016.db2.gz JEJTUYWFLMOUFF-OAHLLOKOSA-N 2 0 299.459 1.024 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001417935839 973481585 /nfs/dbraw/zinc/48/15/85/973481585.db2.gz QUKSNCMVLMPDOA-QWHCGFSZSA-N 2 0 285.407 1.409 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001417946727 973491571 /nfs/dbraw/zinc/49/15/71/973491571.db2.gz VZRXYROJVOJLIK-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+](CC[C@@H](C)F)C1 ZINC001373682620 973566296 /nfs/dbraw/zinc/56/62/96/973566296.db2.gz ANKHWHIEEOVLHH-ZIAGYGMSSA-N 2 0 287.423 1.609 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001418098895 973583779 /nfs/dbraw/zinc/58/37/79/973583779.db2.gz VWIKWKWDLVMNOL-MQYQWHSLSA-N 2 0 285.407 1.456 10 0 CDAERP Cc1conc1C[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001418113895 973593351 /nfs/dbraw/zinc/59/33/51/973593351.db2.gz NSNSIEBDBPNRJX-BETUJISGSA-N 2 0 294.399 1.060 10 0 CDAERP CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)[C@@H]1CC[N@H+](C)C1 ZINC001418165191 973618408 /nfs/dbraw/zinc/61/84/08/973618408.db2.gz UMSSAFGYADYMNZ-QLFBSQMISA-N 2 0 281.444 1.659 10 0 CDAERP CN(CCC[NH2+]Cc1ccns1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001498655211 974014219 /nfs/dbraw/zinc/01/42/19/974014219.db2.gz NZFGISLIZPXPEQ-GFCCVEGCSA-N 2 0 296.440 1.033 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001374574439 974029517 /nfs/dbraw/zinc/02/95/17/974029517.db2.gz ZUVXELZNRHPQCP-HUUCEWRRSA-N 2 0 283.460 1.857 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[N@H+](C)C(C)C ZINC001374574438 974030281 /nfs/dbraw/zinc/03/02/81/974030281.db2.gz ZUVXELZNRHPQCP-GJZGRUSLSA-N 2 0 283.460 1.857 10 0 CDAERP CC[C@@H](F)C[N@H+](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001375096298 974258512 /nfs/dbraw/zinc/25/85/12/974258512.db2.gz UEGFJLHBEVNGRK-CHWSQXEVSA-N 2 0 287.423 1.513 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001375273840 974309827 /nfs/dbraw/zinc/30/98/27/974309827.db2.gz TUXLYASWHVBUIR-ZFWWWQNUSA-N 2 0 293.455 1.613 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]CC[C@@H](C)F ZINC001499955009 974343328 /nfs/dbraw/zinc/34/33/28/974343328.db2.gz LQKFDVJBCOTLJW-KGLIPLIRSA-N 2 0 287.423 1.655 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1CCCC(C)(C)C ZINC001375341253 974346725 /nfs/dbraw/zinc/34/67/25/974346725.db2.gz PFBASKKXXDXRJH-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)CC ZINC001375480390 974400214 /nfs/dbraw/zinc/40/02/14/974400214.db2.gz XBMVYCQQVUSUFA-LSDHHAIUSA-N 2 0 283.460 1.907 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@]1(C)CC[NH+](CC2CCC2)C1 ZINC001500293672 974416193 /nfs/dbraw/zinc/41/61/93/974416193.db2.gz YQERCKWFXSKMAJ-INIZCTEOSA-N 2 0 281.444 1.707 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1C[C@H]([NH2+]CC2CC2)C1 ZINC001375537194 974417643 /nfs/dbraw/zinc/41/76/43/974417643.db2.gz OKGSRMZTYZAMEB-BZUAXINKSA-N 2 0 293.455 1.755 10 0 CDAERP CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001375573184 974427530 /nfs/dbraw/zinc/42/75/30/974427530.db2.gz LJTUJEKOHKSVIX-RRFJBIMHSA-N 2 0 283.460 1.857 10 0 CDAERP CN(C(=O)C1(C[NH+](C)C)CC1)C1C[NH+](CCC(C)(C)C)C1 ZINC001375695348 974455943 /nfs/dbraw/zinc/45/59/43/974455943.db2.gz GTFLNQCWWJLBSG-UHFFFAOYSA-N 2 0 295.471 1.907 10 0 CDAERP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C[NH2+]C/C=C\Cl ZINC001501152613 974541768 /nfs/dbraw/zinc/54/17/68/974541768.db2.gz ANJWXLLTJDVTRL-VSVUCHCSSA-N 2 0 299.846 1.519 10 0 CDAERP CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001376074954 974551913 /nfs/dbraw/zinc/55/19/13/974551913.db2.gz CXKCYRZBGKNFIP-ZBFHGGJFSA-N 2 0 299.459 1.070 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC2CC(F)(F)C2)C1 ZINC001376151206 974584483 /nfs/dbraw/zinc/58/44/83/974584483.db2.gz MSEITTMOQYNTQE-LBPRGKRZSA-N 2 0 289.370 1.174 10 0 CDAERP O=C(NC[C@@H]([NH2+]CC1CCC1)C1CC1)C12CC[NH+](CC1)C2 ZINC001376264301 974616343 /nfs/dbraw/zinc/61/63/43/974616343.db2.gz UPYMKUPKIMQXKV-OAHLLOKOSA-N 2 0 291.439 1.367 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](CC[NH2+]CCC2CC2)C1 ZINC001501652116 974617695 /nfs/dbraw/zinc/61/76/95/974617695.db2.gz WZVDGNLMKOQEEA-MRXNPFEDSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCCF ZINC001376464712 974667997 /nfs/dbraw/zinc/66/79/97/974667997.db2.gz ZSYGOKJZOXFJDD-GOOCMWNKSA-N 2 0 299.434 1.798 10 0 CDAERP CC[C@@H](C)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001502026570 974677827 /nfs/dbraw/zinc/67/78/27/974677827.db2.gz SZOCEEGQOFNZQC-ZIAGYGMSSA-N 2 0 281.444 1.613 10 0 CDAERP CC[NH2+]C1(CC)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001502513492 974746392 /nfs/dbraw/zinc/74/63/92/974746392.db2.gz OCFYPUDIWXGKPD-CYBMUJFWSA-N 2 0 269.433 1.707 10 0 CDAERP CCC(CC)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001376732737 974748595 /nfs/dbraw/zinc/74/85/95/974748595.db2.gz PIJJVDKOBDDQBW-GZBFAFLISA-N 2 0 283.460 1.857 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1ccc(F)cc1)[NH+](C)C ZINC001376757281 974757969 /nfs/dbraw/zinc/75/79/69/974757969.db2.gz FOSKHQIJMUWGRE-SWLSCSKDSA-N 2 0 295.402 1.760 10 0 CDAERP C[C@@H]1CC[C@H](C[NH2+]C2(CNC(=O)CC[NH+](C)C)CCC2)O1 ZINC001376776501 974764334 /nfs/dbraw/zinc/76/43/34/974764334.db2.gz OJOSCFGBXATOMA-ZIAGYGMSSA-N 2 0 297.443 1.134 10 0 CDAERP CC[N@H+](CCCF)CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001377317674 974975491 /nfs/dbraw/zinc/97/54/91/974975491.db2.gz UUGZOHNYJYCGIN-HUUCEWRRSA-N 2 0 299.434 1.801 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CC[NH+](C/C=C\Cl)C2)C1 ZINC001377473342 975041090 /nfs/dbraw/zinc/04/10/90/975041090.db2.gz ZDBQSWPQRDBKRS-HJHBSRAZSA-N 2 0 299.846 1.519 10 0 CDAERP C[N@H+](CCCF)C[C@@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001377672421 975106539 /nfs/dbraw/zinc/10/65/39/975106539.db2.gz RGZNHUBNZZQHCS-KBPBESRZSA-N 2 0 285.407 1.221 10 0 CDAERP CC(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001377863898 975155566 /nfs/dbraw/zinc/15/55/66/975155566.db2.gz SYDYVBRNKPPPQQ-HUUCEWRRSA-N 2 0 283.460 1.857 10 0 CDAERP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH+](C)CC1CCCC1 ZINC001378183573 975275670 /nfs/dbraw/zinc/27/56/70/975275670.db2.gz ISNFDOKLDDWBBZ-GDBMZVCRSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001507095021 975333068 /nfs/dbraw/zinc/33/30/68/975333068.db2.gz ITXWXGMAVYJWPW-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP CCCN(C(=O)C[NH+]1CC[C@H](C)C1)[C@@H]1CC[N@H+](CC)C1 ZINC001404427707 975387068 /nfs/dbraw/zinc/38/70/68/975387068.db2.gz NJJXFSWTEPNQGK-LSDHHAIUSA-N 2 0 281.444 1.661 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001404504652 975411669 /nfs/dbraw/zinc/41/16/69/975411669.db2.gz VEYUHTKKLQOOSR-CABCVRRESA-N 2 0 281.444 1.707 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@H]2C[N@H+](CCCF)CC2(C)C)CCC1 ZINC001378633129 975421424 /nfs/dbraw/zinc/42/14/24/975421424.db2.gz HZCVXDUTZUCXAG-ZDUSSCGKSA-N 2 0 299.434 1.657 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2C[C@H]([NH2+]CCCF)C(C)(C)C2)C1 ZINC001507445897 975472890 /nfs/dbraw/zinc/47/28/90/975472890.db2.gz LCQPXUBXNKIMNC-KBPBESRZSA-N 2 0 299.434 1.514 10 0 CDAERP C[NH+](C)CCC(=O)NCC1C[NH+](CCC2CCCC2)C1 ZINC001404908350 975535447 /nfs/dbraw/zinc/53/54/47/975535447.db2.gz PTOSEKXFKMZGBT-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP C[C@H](C[NH2+][C@@H](C)c1cccc(F)c1)NC(=O)CC[NH+](C)C ZINC001401639603 975754901 /nfs/dbraw/zinc/75/49/01/975754901.db2.gz OFFZARULDDTQET-OLZOCXBDSA-N 2 0 295.402 1.933 10 0 CDAERP Cc1ccncc1C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001401665950 975772409 /nfs/dbraw/zinc/77/24/09/975772409.db2.gz ABRJUOYKBCTSFS-ZFWWWQNUSA-N 2 0 290.411 1.079 10 0 CDAERP O=C(NC[C@@H]([NH2+]CC1CC1)C1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001389608566 975928714 /nfs/dbraw/zinc/92/87/14/975928714.db2.gz JJOMGZAVMICRMT-HZPDHXFCSA-N 2 0 291.439 1.223 10 0 CDAERP CC(C)C[NH2+][C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001406021027 975971806 /nfs/dbraw/zinc/97/18/06/975971806.db2.gz QSUOTYWUDZKHBV-HZPDHXFCSA-N 2 0 295.471 1.715 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C[NH+](C)CCF)C1 ZINC001398466539 975998257 /nfs/dbraw/zinc/99/82/57/975998257.db2.gz PWZXGVZEVJJPTI-AWEZNQCLSA-N 2 0 287.423 1.467 10 0 CDAERP CCC(CC)C[NH2+][C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001398574622 976050388 /nfs/dbraw/zinc/05/03/88/976050388.db2.gz UZNCDHSRCPFXAM-SHTZXODSSA-N 2 0 293.455 1.755 10 0 CDAERP CC(C)CC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001401977977 976056378 /nfs/dbraw/zinc/05/63/78/976056378.db2.gz JUOUKHJWGNCGET-AWEZNQCLSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001398665081 976096747 /nfs/dbraw/zinc/09/67/47/976096747.db2.gz LDGFCKUDLUSLOH-GASCZTMLSA-N 2 0 281.444 1.898 10 0 CDAERP CCC[N@@H+]1CCC[C@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001398712351 976117719 /nfs/dbraw/zinc/11/77/19/976117719.db2.gz UXGXQCHNJKIXLI-HUUCEWRRSA-N 2 0 281.444 1.566 10 0 CDAERP C[C@@H](F)CC[NH+]1CCC(C)(NC(=O)C[NH+]2CCCC2)CC1 ZINC001402089268 976118787 /nfs/dbraw/zinc/11/87/87/976118787.db2.gz VUWNYJFKRLFOJU-CQSZACIVSA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001402099236 976121424 /nfs/dbraw/zinc/12/14/24/976121424.db2.gz JLDXBYGVCQUPEC-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001402156783 976152871 /nfs/dbraw/zinc/15/28/71/976152871.db2.gz DBBYHJLAKAUABS-HOCLYGCPSA-N 2 0 281.444 1.707 10 0 CDAERP CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001402193243 976167940 /nfs/dbraw/zinc/16/79/40/976167940.db2.gz KGSSKZSMUOOGRC-OFQRWUPVSA-N 2 0 281.444 1.565 10 0 CDAERP CCC[NH2+][C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001402290992 976221485 /nfs/dbraw/zinc/22/14/85/976221485.db2.gz AJXIGGARVPEMRQ-CABCVRRESA-N 2 0 279.428 1.223 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1cccnc1)[NH+](C)C ZINC001406547534 976253721 /nfs/dbraw/zinc/25/37/21/976253721.db2.gz WMEWFAIRJFHSMT-GXTWGEPZSA-N 2 0 278.400 1.016 10 0 CDAERP Cc1ccc(C[NH2+][C@H](C)CNC(=O)CC[NH+](C)C)cc1C ZINC001390467177 976312570 /nfs/dbraw/zinc/31/25/70/976312570.db2.gz LPDKTFVFFKKUBZ-OAHLLOKOSA-N 2 0 291.439 1.849 10 0 CDAERP CC(C)[NH2+]CC[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001402491217 976313293 /nfs/dbraw/zinc/31/32/93/976313293.db2.gz ZKDIDJXOYLEBKN-HOCLYGCPSA-N 2 0 293.455 1.565 10 0 CDAERP Cc1cccc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001399119436 976351000 /nfs/dbraw/zinc/35/10/00/976351000.db2.gz QKBQJINXFKQIBF-HOCLYGCPSA-N 2 0 289.423 1.541 10 0 CDAERP CC[C@H](C(=O)N[C@@]1(C)CC[N@H+](CCC2CC2)C1)[NH+](C)C ZINC001380356020 976376106 /nfs/dbraw/zinc/37/61/06/976376106.db2.gz UXLINGYLTVXALO-ZBFHGGJFSA-N 2 0 281.444 1.707 10 0 CDAERP C[NH+](C)CCC(=O)NCC1([NH2+]Cc2cncs2)CCC1 ZINC001402582462 976376198 /nfs/dbraw/zinc/37/61/98/976376198.db2.gz ZQCNPSIDZYTYQV-UHFFFAOYSA-N 2 0 296.440 1.223 10 0 CDAERP C[N@H+](CCCF)CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001390778344 976498976 /nfs/dbraw/zinc/49/89/76/976498976.db2.gz LIFINOIUQNDUSR-ZIAGYGMSSA-N 2 0 285.407 1.411 10 0 CDAERP C[C@@H](F)CC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001406990557 976506067 /nfs/dbraw/zinc/50/60/67/976506067.db2.gz UIWLLXSOJKPRPT-OLZOCXBDSA-N 2 0 285.407 1.315 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](C[C@H](F)CC)C[C@@H]2C1 ZINC001380703639 976521001 /nfs/dbraw/zinc/52/10/01/976521001.db2.gz KZSBZBWYJLBQOR-QLFBSQMISA-N 2 0 299.434 1.467 10 0 CDAERP C[C@H](O)CCC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001380936219 976611632 /nfs/dbraw/zinc/61/16/32/976611632.db2.gz WAOVEITUFQWVSD-GJZGRUSLSA-N 2 0 299.459 1.070 10 0 CDAERP CC[N@H+](CCNC(=O)CC[NH+](C)C)Cc1cncc(C)c1 ZINC001390966699 976623535 /nfs/dbraw/zinc/62/35/35/976623535.db2.gz XFINAAKHSKHITK-UHFFFAOYSA-N 2 0 292.427 1.280 10 0 CDAERP CC[C@@H](F)C[N@H+](CC)CCNC(=O)C1CC[NH+](C)CC1 ZINC001399749458 976669352 /nfs/dbraw/zinc/66/93/52/976669352.db2.gz GAJKKOKHHFSCHT-CQSZACIVSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[NH+](CC2CC(C)C2)C1 ZINC001391113290 976696085 /nfs/dbraw/zinc/69/60/85/976696085.db2.gz DIZIWLOHSWAJNN-HWOWSKLDSA-N 2 0 295.471 1.811 10 0 CDAERP O=C(C[NH+]1CCCC1)NCC[N@@H+](CCCF)C1CC1 ZINC001391197947 976745944 /nfs/dbraw/zinc/74/59/44/976745944.db2.gz OSMPXBKQEAVUQR-UHFFFAOYSA-N 2 0 271.380 1.022 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)NCC[C@H]2CC[NH+](CC)C2)C1 ZINC001391313919 976806559 /nfs/dbraw/zinc/80/65/59/976806559.db2.gz GUODDARRQJNUES-HOTGVXAUSA-N 2 0 295.471 1.957 10 0 CDAERP CC[NH2+][C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001400080427 976845792 /nfs/dbraw/zinc/84/57/92/976845792.db2.gz FCZXWSMIJZETSO-GDBMZVCRSA-N 2 0 289.423 1.795 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H](C)C1C[NH+](CC[C@@H](C)F)C1 ZINC001403328889 976883134 /nfs/dbraw/zinc/88/31/34/976883134.db2.gz NPVHZHMCCHVQSJ-CHWSQXEVSA-N 2 0 287.423 1.513 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001400265852 976957161 /nfs/dbraw/zinc/95/71/61/976957161.db2.gz XZCFPLLJDDOWDV-KKUMJFAQSA-N 2 0 299.434 1.799 10 0 CDAERP C[C@H](F)CC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001400288854 976969517 /nfs/dbraw/zinc/96/95/17/976969517.db2.gz JPMOQWKVIKCBHX-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C)C1C[NH+](C(C)C)C1)[NH+](CC)CC ZINC001381825913 977043015 /nfs/dbraw/zinc/04/30/15/977043015.db2.gz UIHOCVWRBNYJIS-HIFRSBDPSA-N 2 0 283.460 1.952 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C1C[NH+](C(C)C)C1)[NH+](CC)CC ZINC001381825910 977043417 /nfs/dbraw/zinc/04/34/17/977043417.db2.gz UIHOCVWRBNYJIS-DZGCQCFKSA-N 2 0 283.460 1.952 10 0 CDAERP CC(C)C[NH2+][C@H](C)CN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001403636088 977117188 /nfs/dbraw/zinc/11/71/88/977117188.db2.gz UZXUZVKEGLQJSG-HUUCEWRRSA-N 2 0 299.459 1.047 10 0 CDAERP CC[C@H](C[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)OC ZINC001403663451 977134155 /nfs/dbraw/zinc/13/41/55/977134155.db2.gz IYBPIWDQUOPXBS-SOUVJXGZSA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C ZINC001403816517 977211904 /nfs/dbraw/zinc/21/19/04/977211904.db2.gz IEDAXEXWIAAXLV-CABCVRRESA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCC(C)(C)C ZINC001400914366 977242693 /nfs/dbraw/zinc/24/26/93/977242693.db2.gz DYOVLAGSDIWBOH-UONOGXRCSA-N 2 0 283.460 1.859 10 0 CDAERP CCCC[N@H+](C)C[C@H](O)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001403898128 977251162 /nfs/dbraw/zinc/25/11/62/977251162.db2.gz OHZZHOVMFKOUJP-AWEZNQCLSA-N 2 0 299.459 1.022 10 0 CDAERP CC(C)[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CCF ZINC001392218348 977266762 /nfs/dbraw/zinc/26/67/62/977266762.db2.gz HXVVDBNAEXIPMB-KGLIPLIRSA-N 2 0 285.407 1.028 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@]12CC[NH+](C1)CCC2)CC1CC1 ZINC001403943728 977275943 /nfs/dbraw/zinc/27/59/43/977275943.db2.gz ZDYGMJRPXVPOCX-INIZCTEOSA-N 2 0 279.428 1.320 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CC3CCC3)CC2)CC[N@@H+]1C ZINC001392907154 977649498 /nfs/dbraw/zinc/64/94/98/977649498.db2.gz HHRVVKSVTRWTAT-LSDHHAIUSA-N 2 0 293.455 1.755 10 0 CDAERP CC1CC(C[NH2+]C2(CNC(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001392946866 977660614 /nfs/dbraw/zinc/66/06/14/977660614.db2.gz GFYSQXKNLDYBLV-SHARSMKWSA-N 2 0 293.455 1.613 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](C[C@H](C)CC)C[C@@H]2C1 ZINC001393412584 977779943 /nfs/dbraw/zinc/77/99/43/977779943.db2.gz IJHYNFHDBAWMER-OAGGEKHMSA-N 2 0 295.471 1.765 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CC1 ZINC001393469051 977792347 /nfs/dbraw/zinc/79/23/47/977792347.db2.gz WUXWMGZEJGGJBR-GJZGRUSLSA-N 2 0 279.428 1.413 10 0 CDAERP CC(C)[C@H](C(=O)NC1CC(C[NH2+]CC2CC2)C1)[NH+](C)C ZINC001393901615 977954501 /nfs/dbraw/zinc/95/45/01/977954501.db2.gz PSQFZUJXQACTOM-YMAMQOFZSA-N 2 0 281.444 1.467 10 0 CDAERP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCC(F)(F)F ZINC001394561465 978204137 /nfs/dbraw/zinc/20/41/37/978204137.db2.gz XALBGAXOJGNGFV-MNOVXSKESA-N 2 0 295.349 1.327 10 0 CDAERP CN(CC[NH+]1CCCC1)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810345009 1163202565 /nfs/dbraw/zinc/20/25/65/1163202565.db2.gz OLUHEMCVLVGLJQ-INIZCTEOSA-N 2 0 299.434 1.753 10 0 CDAERP C[NH+](C)CCC(=O)NC1CC(C[NH2+]CCC2CC2)C1 ZINC001674578718 1173964681 /nfs/dbraw/zinc/96/46/81/1173964681.db2.gz LLUPHEATVGBFMB-UHFFFAOYSA-N 2 0 267.417 1.223 10 0 CDAERP CC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001675119460 1174078272 /nfs/dbraw/zinc/07/82/72/1174078272.db2.gz FZRURHSDWXTGFF-KBPBESRZSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)CC[NH+]1CC([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001675338591 1174105407 /nfs/dbraw/zinc/10/54/07/1174105407.db2.gz WWLRBEPMBVELGG-CYBMUJFWSA-N 2 0 269.433 1.421 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NCC[NH+]1CCCCC1 ZINC001595801575 1174217039 /nfs/dbraw/zinc/21/70/39/1174217039.db2.gz ZGBDJZPUVATXEX-ZDUSSCGKSA-N 2 0 255.406 1.176 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C[NH2+]CCCF)C(C)(C)C)[NH+](C)C ZINC001677296866 1174346767 /nfs/dbraw/zinc/34/67/67/1174346767.db2.gz DTNRSXJOEPMGHC-QWHCGFSZSA-N 2 0 289.439 1.807 10 0 CDAERP COCC[NH2+]C[C@H](NC(=O)C1(C[NH+](C)C)CC1)C(C)(C)C ZINC001571630658 1170501648 /nfs/dbraw/zinc/50/16/48/1170501648.db2.gz KXRCPOZDFLGLSO-ZDUSSCGKSA-N 2 0 299.459 1.095 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](C)CC1(C)C ZINC001652491783 1171444374 /nfs/dbraw/zinc/44/43/74/1171444374.db2.gz QMAJFMKCNUWHGG-CHWSQXEVSA-N 2 0 267.417 1.317 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC)[C@@H]1CC ZINC001656755892 1171873179 /nfs/dbraw/zinc/87/31/79/1171873179.db2.gz HHMFBDGAOMJFET-QWHCGFSZSA-N 2 0 255.406 1.317 10 0 CDAERP CC(C)[NH2+]CCCNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000151789550 342476152 /nfs/dbraw/zinc/47/61/52/342476152.db2.gz QPRLXCMFVZPPIF-KBPBESRZSA-N 2 0 269.433 1.788 10 0 CDAERP COC(=O)[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000600175275 341983054 /nfs/dbraw/zinc/98/30/54/341983054.db2.gz SUDLIELOUSCEEU-SRVKXCTJSA-N 2 0 254.374 1.400 10 0 CDAERP CCN(C(=O)C[NH+]1[C@H](C)CC[C@H]1C)[C@H]1CC[N@H+](CC)C1 ZINC000617928566 342480789 /nfs/dbraw/zinc/48/07/89/342480789.db2.gz RLBIZPJCEKYATI-KFWWJZLASA-N 2 0 281.444 1.802 10 0 CDAERP C[C@H]1CN(C(=O)Nc2ccc(C[NH3+])cc2)C[C@H]1[NH+](C)C ZINC000124473644 187139184 /nfs/dbraw/zinc/13/91/84/187139184.db2.gz FWXWZWKSUKNQGR-SMDDNHRTSA-N 2 0 276.384 1.559 10 0 CDAERP [NH3+]CC1(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000650713767 398156322 /nfs/dbraw/zinc/15/63/22/398156322.db2.gz BDFQNFVVMMKNCK-MCIONIFRSA-N 3 0 251.418 1.626 10 0 CDAERP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000650745242 398173208 /nfs/dbraw/zinc/17/32/08/398173208.db2.gz CDDHSKGALQKNBT-LLVKDONJSA-N 2 0 297.424 1.114 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000232924988 342035046 /nfs/dbraw/zinc/03/50/46/342035046.db2.gz RGXDBKNJHNVTJY-KGLIPLIRSA-N 2 0 279.428 1.461 10 0 CDAERP C[C@@H](CC[NH+](C)C)[NH2+]C[C@H](O)COCc1ccco1 ZINC000049557479 342056472 /nfs/dbraw/zinc/05/64/72/342056472.db2.gz NLLTXIKSKVLMKG-STQMWFEESA-N 2 0 270.373 1.087 10 0 CDAERP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000237887361 342074532 /nfs/dbraw/zinc/07/45/32/342074532.db2.gz SGSGTQHRNPNHNQ-BZUAXINKSA-N 2 0 293.455 1.981 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[NH+]2C(C)(C)C)CC[N@@H+]1C ZINC000617009442 342605793 /nfs/dbraw/zinc/60/57/93/342605793.db2.gz ZDSVZKJAINFYAE-MELADBBJSA-N 2 0 281.444 1.706 10 0 CDAERP C[C@H](CNC(=O)[C@]1(C)CCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000121562205 342088673 /nfs/dbraw/zinc/08/86/73/342088673.db2.gz FFCZCDMUXWGRAN-PBHICJAKSA-N 2 0 289.423 1.765 10 0 CDAERP [NH3+]CCN1CC[NH2+]C[C@@H]1c1cccc2ccncc21 ZINC000616636754 342121970 /nfs/dbraw/zinc/12/19/70/342121970.db2.gz OCNOTXIGLHDCFJ-OAHLLOKOSA-N 2 0 256.353 1.140 10 0 CDAERP CC(C)(C)OC(=O)NCC[C@H]1CCCN1CC[NH3+] ZINC000616608634 361833786 /nfs/dbraw/zinc/83/37/86/361833786.db2.gz YDNAVZKDQXEUIL-LLVKDONJSA-N 2 0 257.378 1.324 10 0 CDAERP C([C@@H]1CCOC1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047973059 342149767 /nfs/dbraw/zinc/14/97/67/342149767.db2.gz JENMJGAXECHFCS-HNNXBMFYSA-N 2 0 252.402 1.831 10 0 CDAERP C[C@@H](Cc1ccc(F)cc1)[NH2+]CCOCCC[NH3+] ZINC000629398879 361918883 /nfs/dbraw/zinc/91/88/83/361918883.db2.gz ZWORRBZQCNLDHZ-LBPRGKRZSA-N 2 0 254.349 1.712 10 0 CDAERP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]CCOCCC[NH3+] ZINC000629398878 361918933 /nfs/dbraw/zinc/91/89/33/361918933.db2.gz IOQCDXXJDDUUEJ-UHFFFAOYSA-N 2 0 282.432 1.710 10 0 CDAERP COc1ccc(C)cc1C[NH2+]CCOCCC[NH3+] ZINC000629397748 361928273 /nfs/dbraw/zinc/92/82/73/361928273.db2.gz CFHQNDSWWRHSIY-UHFFFAOYSA-N 2 0 252.358 1.459 10 0 CDAERP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CCOCCC[NH3+] ZINC000629398715 361931216 /nfs/dbraw/zinc/93/12/16/361931216.db2.gz XTQXAGLHFFGHDM-LBPRGKRZSA-N 2 0 297.374 1.498 10 0 CDAERP O=C(NCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000339065863 539067592 /nfs/dbraw/zinc/06/75/92/539067592.db2.gz HTTYISIJMCMCBR-HOTGVXAUSA-N 2 0 287.407 1.633 10 0 CDAERP CC[C@H](C[NH3+])[C@@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC000669376904 539071942 /nfs/dbraw/zinc/07/19/42/539071942.db2.gz AVEIGRIFHCNJDI-HZPDHXFCSA-N 2 0 262.397 1.998 10 0 CDAERP C(C[NH+]1CCCC1)N1CC[NH+](C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000659838742 539082577 /nfs/dbraw/zinc/08/25/77/539082577.db2.gz RQJIWTHYEOEGNY-BJWYYQGGSA-N 2 0 277.456 1.746 10 0 CDAERP CCOC(=O)c1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)[nH]c1C ZINC000594615049 342928014 /nfs/dbraw/zinc/92/80/14/342928014.db2.gz OOTAMQUZEDLQIR-XBXGTLAGSA-N 2 0 293.411 1.930 10 0 CDAERP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H]2C[C@@H]2C(=O)OC)C1 ZINC000594925587 342973362 /nfs/dbraw/zinc/97/33/62/342973362.db2.gz OKKJHGUWWUXAOL-NDBYEHHHSA-N 2 0 254.374 1.115 10 0 CDAERP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H]1CCCNC1=O ZINC000626062716 342297412 /nfs/dbraw/zinc/29/74/12/342297412.db2.gz CWNIEZHPRFYBTF-INIZCTEOSA-N 2 0 289.423 1.849 10 0 CDAERP C[C@H](CSCCF)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000595010029 342990273 /nfs/dbraw/zinc/99/02/73/342990273.db2.gz FLNFYMMVZLQIFW-OLZOCXBDSA-N 2 0 277.453 1.303 10 0 CDAERP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000594944673 342980385 /nfs/dbraw/zinc/98/03/85/342980385.db2.gz UQRPQZJNQUMHBX-RWMBFGLXSA-N 2 0 268.401 1.506 10 0 CDAERP COc1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)c2ccccc12 ZINC000263144052 362025738 /nfs/dbraw/zinc/02/57/38/362025738.db2.gz COLCHILLJZPGFY-XJKSGUPXSA-N 2 0 286.375 1.518 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@]1(C)COc2ccccc2O1 ZINC000629515953 362125754 /nfs/dbraw/zinc/12/57/54/362125754.db2.gz WUDFNTZSYWRUBF-CZUORRHYSA-N 2 0 294.395 1.560 10 0 CDAERP C[NH+](C)C1CCN(c2nc(N)[nH+]c3c2CCCC3)CC1 ZINC000645119921 362132510 /nfs/dbraw/zinc/13/25/10/362132510.db2.gz PXASVXDJLJRCMD-UHFFFAOYSA-N 2 0 275.400 1.298 10 0 CDAERP CCSCC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595906952 343188412 /nfs/dbraw/zinc/18/84/12/343188412.db2.gz PCYOLUUSHLNINV-ZDUSSCGKSA-N 2 0 260.447 1.782 10 0 CDAERP CC(C)O[C@@H]1C[C@H]([NH2+]CC2([NH3+])CCOCC2)C1(C)C ZINC000629524107 362145280 /nfs/dbraw/zinc/14/52/80/362145280.db2.gz LMVRRKSSWBYPNV-QWHCGFSZSA-N 2 0 270.417 1.676 10 0 CDAERP [NH3+]C1(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CCOCC1 ZINC000629521221 362135949 /nfs/dbraw/zinc/13/59/49/362135949.db2.gz OFPQHQLTQHPKOG-RBSFLKMASA-N 2 0 281.444 1.395 10 0 CDAERP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CCOCC[NH2+]C ZINC000629529372 362157957 /nfs/dbraw/zinc/15/79/57/362157957.db2.gz AVHSRGODEXWFIE-QWHCGFSZSA-N 2 0 258.406 1.406 10 0 CDAERP C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)nc1)[C@H](C)CO ZINC000084664333 342380336 /nfs/dbraw/zinc/38/03/36/342380336.db2.gz TXNQSVYCOHLLQC-VXGBXAGGSA-N 2 0 260.341 1.374 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@@H]1CCOC1 ZINC000346135032 282251010 /nfs/dbraw/zinc/25/10/10/282251010.db2.gz GINNUARPMWLPGC-OAHLLOKOSA-N 2 0 272.352 1.796 10 0 CDAERP C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)OC1CCOCC1 ZINC000629534007 362172593 /nfs/dbraw/zinc/17/25/93/362172593.db2.gz IBSOXHMJXZBFDE-GDBMZVCRSA-N 2 0 282.428 1.646 10 0 CDAERP O[C@@H]1CC[C@H]2CC[NH+](CCC[N@H+]3CC[C@@H]4CC[C@@H](O)[C@@H]43)[C@@H]12 ZINC000626140144 342419372 /nfs/dbraw/zinc/41/93/72/342419372.db2.gz PMKHPUQYQALOGU-ZDGDKENJSA-N 2 0 294.439 1.067 10 0 CDAERP CCCN(C(=O)NC[C@@H](C)[NH+](CC)CC)[C@@H]1CC[N@H+](C)C1 ZINC000645160462 362190271 /nfs/dbraw/zinc/19/02/71/362190271.db2.gz MJMKDXVXTOJFGC-HUUCEWRRSA-N 2 0 298.475 1.842 10 0 CDAERP Cc1cc(C)n(CCC[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)n1 ZINC000400413112 365753389 /nfs/dbraw/zinc/75/33/89/365753389.db2.gz UNJZBCUSCQKQKY-KBPBESRZSA-N 2 0 250.390 1.478 10 0 CDAERP C[NH2+]CCCNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000417933189 529967956 /nfs/dbraw/zinc/96/79/56/529967956.db2.gz NUYWYALHYCLDND-UHFFFAOYSA-N 2 0 270.421 1.016 10 0 CDAERP C[C@@H](C(=O)NC[C@@H]1CCC[NH+]1C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000101657470 362419870 /nfs/dbraw/zinc/41/98/70/362419870.db2.gz DTWWBLLDZXAAOT-CRWXNKLISA-N 2 0 267.417 1.458 10 0 CDAERP C[NH+](C)CC(C)(C)CNC(=O)CC1([NH3+])CCCCC1 ZINC000084162219 178810274 /nfs/dbraw/zinc/81/02/74/178810274.db2.gz UILRZAOPQIQYAH-UHFFFAOYSA-N 2 0 269.433 1.742 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000571443558 362528574 /nfs/dbraw/zinc/52/85/74/362528574.db2.gz GMRULRFXHJVITI-WJTVCTBASA-N 2 0 253.390 1.149 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)Nc1nc(N)[nH+]c2c1CCCC2 ZINC000645247807 362576690 /nfs/dbraw/zinc/57/66/90/362576690.db2.gz QHWXQIJSOZUDSV-NSHDSACASA-N 2 0 277.416 1.330 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000607280541 345335643 /nfs/dbraw/zinc/33/56/43/345335643.db2.gz WKCTWVRIMLEFDP-BETUJISGSA-N 2 0 293.415 1.256 10 0 CDAERP CCN(C(=O)C[NH+]1[C@H](C)CC[C@@H]1C)[C@H]1CC[N@H+](C)C1 ZINC000617554694 345850389 /nfs/dbraw/zinc/85/03/89/345850389.db2.gz HWOJTCVFVJROIM-MJBXVCDLSA-N 2 0 267.417 1.412 10 0 CDAERP CCN(C(=O)C[NH+]1[C@H](C)CC[C@@H]1C)[C@@H]1CC[N@H+](C)C1 ZINC000617554691 345850930 /nfs/dbraw/zinc/85/09/30/345850930.db2.gz HWOJTCVFVJROIM-HZSPNIEDSA-N 2 0 267.417 1.412 10 0 CDAERP C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000617757860 345956538 /nfs/dbraw/zinc/95/65/38/345956538.db2.gz CEWKEAUBKQKONN-AGIUHOORSA-N 2 0 255.406 1.173 10 0 CDAERP OCCN1CCC[C@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC000384666987 346063961 /nfs/dbraw/zinc/06/39/61/346063961.db2.gz CHHARFACZWQDKE-FAOGRTBUSA-N 2 0 260.381 1.746 10 0 CDAERP Cc1nccn1CC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623387177 346121038 /nfs/dbraw/zinc/12/10/38/346121038.db2.gz OBCLUWZVESRDEY-ZDUSSCGKSA-N 2 0 250.390 1.654 10 0 CDAERP CC[N@H+](CCN[C@H]1CC[NH+](C)C(C)(C)C1)C1CC1 ZINC000623395402 346152901 /nfs/dbraw/zinc/15/29/01/346152901.db2.gz JOLSSEAUKPEIOD-ZDUSSCGKSA-N 2 0 253.434 1.933 10 0 CDAERP C[C@](O)(C[NH3+])CCCCN1CC[C@H]([NH+]2CCCC2)C1 ZINC000085302833 179010744 /nfs/dbraw/zinc/01/07/44/179010744.db2.gz GUXLKZQLYHFTPJ-LSDHHAIUSA-N 2 0 269.433 1.037 10 0 CDAERP C[N@H+](CCCC[C@](C)(O)C[NH3+])CC1CCOCC1 ZINC000085302563 179011108 /nfs/dbraw/zinc/01/11/08/179011108.db2.gz USMTVRIVDAPRIE-AWEZNQCLSA-N 2 0 258.406 1.225 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1C(=O)NCCC[NH+]1CCCCC1 ZINC000085358222 179031472 /nfs/dbraw/zinc/03/14/72/179031472.db2.gz MSNWCXORVIPNED-ZIAGYGMSSA-N 2 0 267.417 1.496 10 0 CDAERP CCc1nc2c(n1C[C@@H]1CCC[N@H+](C)C1)CC[NH2+]C2 ZINC000085572750 179097253 /nfs/dbraw/zinc/09/72/53/179097253.db2.gz BYYLXQNZQGHXAC-GFCCVEGCSA-N 2 0 262.401 1.433 10 0 CDAERP c1cn(CCC[N@@H+]2CCC[NH2+]C3(CCCC3)C2)cn1 ZINC000085612479 179103327 /nfs/dbraw/zinc/10/33/27/179103327.db2.gz NCIAWNPSHFHANV-UHFFFAOYSA-N 2 0 262.401 1.881 10 0 CDAERP CC(C)[N@H+](C)C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC000635945567 362768657 /nfs/dbraw/zinc/76/86/57/362768657.db2.gz SXMYNXDWRFGJAC-CQSZACIVSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1=O ZINC000623435757 346738383 /nfs/dbraw/zinc/73/83/83/346738383.db2.gz RSQVYANMNYKMKU-RQJABVFESA-N 2 0 279.428 1.458 10 0 CDAERP COc1cc(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)on1 ZINC000641797431 365865874 /nfs/dbraw/zinc/86/58/74/365865874.db2.gz CHCCWHODHXCGEF-DGCLKSJQSA-N 2 0 265.357 1.647 10 0 CDAERP CC(C)C(=O)NCCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623474276 347408039 /nfs/dbraw/zinc/40/80/39/347408039.db2.gz XAEADYWOZWSUSH-CYBMUJFWSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@H]1C[NH2+][C@H](C(C)(C)C)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086182676 179248080 /nfs/dbraw/zinc/24/80/80/179248080.db2.gz GTFNBTUIBGACPE-CFVMTHIKSA-N 2 0 265.445 1.789 10 0 CDAERP CC[C@@H]1C[NH2+][C@](C)(CC)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086223966 179253492 /nfs/dbraw/zinc/25/34/92/179253492.db2.gz FLRMFUXBCFLKAO-RBSFLKMASA-N 2 0 253.434 1.933 10 0 CDAERP CC[C@@H]1C[NH2+][C@@H](C2CC2)CN1C[C@@H]1CCCC[N@@H+]1C ZINC000086259337 179258498 /nfs/dbraw/zinc/25/84/98/179258498.db2.gz RTMPJYOBKDSZTN-OWCLPIDISA-N 2 0 265.445 1.933 10 0 CDAERP C[C@H]1C[NH2+][C@H](C(C)(C)C)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086259648 179259455 /nfs/dbraw/zinc/25/94/55/179259455.db2.gz HOVIDCYONCVMPI-CFVMTHIKSA-N 2 0 265.445 1.932 10 0 CDAERP C[C@H](N[C@@H]1CC[N@H+](C)C(C)(C)C1)c1nccn1C ZINC000623574066 347640090 /nfs/dbraw/zinc/64/00/90/347640090.db2.gz CWRUPMVWUWZKAE-NWDGAFQWSA-N 2 0 250.390 1.944 10 0 CDAERP [NH3+]C/C=C\CNC(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000641864464 365949135 /nfs/dbraw/zinc/94/91/35/365949135.db2.gz FQLBRSQELFNQNK-PLNGDYQASA-N 2 0 294.443 1.409 10 0 CDAERP CC(C)(CC[NH+]1CCCCCC1)NC(=O)NC/C=C/C[NH3+] ZINC000641867725 365952720 /nfs/dbraw/zinc/95/27/20/365952720.db2.gz VFMSBYLEDKKULJ-AATRIKPKSA-N 2 0 296.459 1.845 10 0 CDAERP C[C@@H]1C[C@@H](C[N@@H+]2CCCC[C@@H]2CC(N)=O)CC[NH2+]1 ZINC000414693464 297251146 /nfs/dbraw/zinc/25/11/46/297251146.db2.gz RPFCDUDNOLHXIL-FRRDWIJNSA-N 2 0 253.390 1.104 10 0 CDAERP CC[C@H]1C[N@H+](C)CCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC000614343221 348085037 /nfs/dbraw/zinc/08/50/37/348085037.db2.gz SURQKQZPCBUMPH-KGLIPLIRSA-N 2 0 267.417 1.271 10 0 CDAERP C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000250628610 282694898 /nfs/dbraw/zinc/69/48/98/282694898.db2.gz QQQXTQDFPCCLKG-KFWWJZLASA-N 2 0 279.428 1.365 10 0 CDAERP C[C@H]1CCC[N@H+](CCOC2CCOCC2)[C@H]1CC[NH3+] ZINC000629534697 362959966 /nfs/dbraw/zinc/95/99/66/362959966.db2.gz ASJQJGIHUKQWRD-ZFWWWQNUSA-N 2 0 270.417 1.631 10 0 CDAERP CCc1cccnc1[C@@H](C)[NH2+]CCOCCC[NH3+] ZINC000629541437 362964738 /nfs/dbraw/zinc/96/47/38/362964738.db2.gz ZUJYJHSKIZZZNK-GFCCVEGCSA-N 2 0 251.374 1.660 10 0 CDAERP CCn1nccc1CC[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000621776322 350773019 /nfs/dbraw/zinc/77/30/19/350773019.db2.gz JARYHZZOOPGQTF-MCIONIFRSA-N 2 0 264.417 1.751 10 0 CDAERP CCCn1cc(C[NH2+]CCCN2CCC[N@H+](C)CC2)cn1 ZINC000116916613 351129078 /nfs/dbraw/zinc/12/90/78/351129078.db2.gz LOHNNBQOWNHBPQ-UHFFFAOYSA-N 2 0 293.459 1.410 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)[C@@H]2CCCCO2)CC1 ZINC000623863000 351308042 /nfs/dbraw/zinc/30/80/42/351308042.db2.gz HGSNRFGVINVJSR-PMPSAXMXSA-N 2 0 283.460 1.560 10 0 CDAERP [NH3+]C[C@@H]1CCCN(CC[C@@H]2CCC[NH2+]C2)[C@@H]1C(F)(F)F ZINC000629582427 363048397 /nfs/dbraw/zinc/04/83/97/363048397.db2.gz UEXAFOOMBKMXGF-AVGNSLFASA-N 2 0 293.377 1.978 10 0 CDAERP CCCCOCC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000629590575 363078525 /nfs/dbraw/zinc/07/85/25/363078525.db2.gz UBKHIZZKDKRTIO-INIZCTEOSA-N 2 0 284.444 1.894 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCCC1CC[NH2+]CC1)C2 ZINC000629595254 363091146 /nfs/dbraw/zinc/09/11/46/363091146.db2.gz ORLHQYXKUCPXBY-IYBDPMFKSA-N 3 0 265.445 1.698 10 0 CDAERP C[C@@H](CNC(=O)N[C@H]1CCCC[NH2+]C1)C[NH+]1CCCC1 ZINC000333843653 363184713 /nfs/dbraw/zinc/18/47/13/363184713.db2.gz VQHTYSVMDPKDGX-KBPBESRZSA-N 2 0 282.432 1.160 10 0 CDAERP CO[C@H](C[N@H+](C)C1CC[NH+](C(C)C)CC1)[C@@H]1CCOC1 ZINC000659869675 412569503 /nfs/dbraw/zinc/56/95/03/412569503.db2.gz YJJYESOCTJTQGG-GDBMZVCRSA-N 2 0 284.444 1.843 10 0 CDAERP C[C@H]1C[C@H](C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC[NH2+]1 ZINC000629669421 363308130 /nfs/dbraw/zinc/30/81/30/363308130.db2.gz XMKWFSHUIXJTKT-LJISPDSOSA-N 3 0 251.418 1.306 10 0 CDAERP COCC(C)(C)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000629673281 363341048 /nfs/dbraw/zinc/34/10/48/363341048.db2.gz BMOJCTWMHZULFD-HNNXBMFYSA-N 2 0 284.444 1.750 10 0 CDAERP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1cccc(-n2ccnn2)c1 ZINC000570199174 363424229 /nfs/dbraw/zinc/42/42/29/363424229.db2.gz OVANWLYAJFJKAR-HEHGZKQESA-N 2 0 285.395 1.916 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)[C@@H]2[NH2+]CCCC2(C)C)CC[N@@H+]1C ZINC000235373381 297280435 /nfs/dbraw/zinc/28/04/35/297280435.db2.gz HLHOZNFZUPFLNU-AGIUHOORSA-N 2 0 267.417 1.364 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2CCO)[C@@H]2CCC[C@@H]21 ZINC000353675641 283140667 /nfs/dbraw/zinc/14/06/67/283140667.db2.gz VUENAQFIPXTQOU-LEOABGAYSA-N 2 0 266.429 2.000 10 0 CDAERP C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)CCC(F)(F)F ZINC001660395775 1172208555 /nfs/dbraw/zinc/20/85/55/1172208555.db2.gz XOPNHEZBHRILBY-LLVKDONJSA-N 2 0 295.349 1.329 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC[NH+]1CCCCC1 ZINC000247055252 356626320 /nfs/dbraw/zinc/62/63/20/356626320.db2.gz WZFQRBQVCDHAFI-CABCVRRESA-N 2 0 251.418 1.641 10 0 CDAERP C[C@H](C[NH2+]C[C@H](O)C[C@@](C)(O)C1CC1)C[NH+]1CCCCC1 ZINC000634701445 357374978 /nfs/dbraw/zinc/37/49/78/357374978.db2.gz QDSAPBGHFBHERS-DJIMGWMZSA-N 2 0 298.471 1.610 10 0 CDAERP O=C(C1CC[NH+](C2CC2)CC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000564835851 357340391 /nfs/dbraw/zinc/34/03/91/357340391.db2.gz CLFWRBUDYFFGGB-HNNXBMFYSA-N 2 0 277.412 1.214 10 0 CDAERP CC[C@H](CN1CCCC1)[NH2+]C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000634704624 357381613 /nfs/dbraw/zinc/38/16/13/357381613.db2.gz MYTSZQRBYCOXEN-PMPSAXMXSA-N 2 0 284.444 1.362 10 0 CDAERP CC[N@H+](C)C[C@H](O)CN(C)CCc1ccc(F)cc1 ZINC000582070324 357489466 /nfs/dbraw/zinc/48/94/66/357489466.db2.gz GREQWLSALQJNKJ-HNNXBMFYSA-N 2 0 268.376 1.613 10 0 CDAERP C[NH2+]CCC1CC[NH+](Cc2nc(C)ccc2O)CC1 ZINC000091996170 357727244 /nfs/dbraw/zinc/72/72/44/357727244.db2.gz PSZVUZGXDAFTJY-UHFFFAOYSA-N 2 0 263.385 1.917 10 0 CDAERP O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CC[NH2+]C1 ZINC000062113452 358800319 /nfs/dbraw/zinc/80/03/19/358800319.db2.gz FQXGOODCOPENBK-AWEZNQCLSA-N 2 0 273.380 1.830 10 0 CDAERP CC(C)OC[C@@H](O)C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000062071521 358800618 /nfs/dbraw/zinc/80/06/18/358800618.db2.gz WVJZFEJCZNAGFV-KBPBESRZSA-N 2 0 258.406 1.094 10 0 CDAERP CC[NH+]1CCC(NC(=O)c2ccccc2CC[NH3+])CC1 ZINC000070552436 358969656 /nfs/dbraw/zinc/96/96/56/358969656.db2.gz LFXZKMNMZYRNRL-UHFFFAOYSA-N 2 0 275.396 1.402 10 0 CDAERP C[C@@]1(CN2CCC[C@@H]([NH+]3CCCC3)CC2)CC[NH2+]C1 ZINC000261944111 359098724 /nfs/dbraw/zinc/09/87/24/359098724.db2.gz FAYINWSNNOBRSX-HZPDHXFCSA-N 2 0 265.445 1.936 10 0 CDAERP C[N@H+](CC1CC1)C[C@@H]1CCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261948499 359099476 /nfs/dbraw/zinc/09/94/76/359099476.db2.gz FSTOQLISCUJATK-HOTGVXAUSA-N 3 0 265.445 1.650 10 0 CDAERP Cc1cc(CN2CCN(C[C@]3(C)CC[NH2+]C3)CC2)no1 ZINC000262028269 359124385 /nfs/dbraw/zinc/12/43/85/359124385.db2.gz NSFRYIVSSILKBX-OAHLLOKOSA-N 2 0 278.400 1.100 10 0 CDAERP Cn1cncc1CCC[N@@H+]1CCC[C@@H]1CCCO ZINC000313854654 359155832 /nfs/dbraw/zinc/15/58/32/359155832.db2.gz IBFBPLQCJQSHQG-CYBMUJFWSA-N 2 0 251.374 1.590 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C1(C[NH3+])CCOCC1 ZINC000262314657 359155968 /nfs/dbraw/zinc/15/59/68/359155968.db2.gz QSFPZASPZITAFV-CQSZACIVSA-N 2 0 297.443 1.123 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C1(C[NH3+])CCOCC1 ZINC000262375410 359167002 /nfs/dbraw/zinc/16/70/02/359167002.db2.gz WMXKEVQSTVDLHT-ZIAGYGMSSA-N 2 0 297.443 1.121 10 0 CDAERP CCC[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309704163 359300316 /nfs/dbraw/zinc/30/03/16/359300316.db2.gz HDCMHBSJVJABFG-JKSUJKDBSA-N 2 0 289.423 1.752 10 0 CDAERP CCOCCCNC(=[NH2+])NC1CC([NH+]2CCCCC2)C1 ZINC000365410606 359411311 /nfs/dbraw/zinc/41/13/11/359411311.db2.gz ACGNOUPVJIRQJA-UHFFFAOYSA-N 2 0 282.432 1.544 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)CC1CC[NH+](C)CC1 ZINC000347511832 359405477 /nfs/dbraw/zinc/40/54/77/359405477.db2.gz CJBBWLBPSHIFGT-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H]([NH2+]CCC[NH3+])c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423183215 359756685 /nfs/dbraw/zinc/75/66/85/359756685.db2.gz HJJZCJHMYMYNJL-JTQLQIEISA-N 2 0 261.369 1.916 10 0 CDAERP COc1cccc(CC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000423005000 359735129 /nfs/dbraw/zinc/73/51/29/359735129.db2.gz LJMDGVOCMUKONT-OCCSQVGLSA-N 2 0 263.385 1.740 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C[C@H](O)C(C)(C)C)CC1 ZINC000336846048 359915816 /nfs/dbraw/zinc/91/58/16/359915816.db2.gz ISKPGZQNDJOHHL-HOTGVXAUSA-N 2 0 297.487 1.495 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)[C@]2(CC)CC[NH2+]C2)CC1 ZINC000062891692 360009366 /nfs/dbraw/zinc/00/93/66/360009366.db2.gz XEAKUVPZDMORAC-MRXNPFEDSA-N 2 0 281.444 1.757 10 0 CDAERP Cc1cc(C[NH3+])cc(NC(=O)NC[C@@H]2CCC[N@H+]2C)c1 ZINC000424437801 360057553 /nfs/dbraw/zinc/05/75/53/360057553.db2.gz OOYURLDDJJWXML-AWEZNQCLSA-N 2 0 276.384 1.669 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000193305774 296017272 /nfs/dbraw/zinc/01/72/72/296017272.db2.gz SSKCBQOIAFGGCQ-CHWSQXEVSA-N 2 0 255.406 1.350 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000626933589 360650533 /nfs/dbraw/zinc/65/05/33/360650533.db2.gz MIXNTXFUNLGEBX-KGLIPLIRSA-N 2 0 284.448 1.356 10 0 CDAERP CC(F)(F)CCC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000390084428 360692345 /nfs/dbraw/zinc/69/23/45/360692345.db2.gz FMISOOXVYBBYCZ-LLVKDONJSA-N 2 0 250.333 1.468 10 0 CDAERP CO[C@@H](C)C[NH2+][C@H]1CCN(CCc2ccccc2)C1 ZINC000191204354 360762400 /nfs/dbraw/zinc/76/24/00/360762400.db2.gz LDKJWJBTYRQTRK-HOCLYGCPSA-N 2 0 262.397 1.928 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH+](C)C ZINC000349144571 360741267 /nfs/dbraw/zinc/74/12/67/360741267.db2.gz PNFWCMSAAQZHQS-STQMWFEESA-N 2 0 255.406 1.317 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CC[NH+]2CCC1CC2 ZINC000335739378 360872564 /nfs/dbraw/zinc/87/25/64/360872564.db2.gz ILHJURPDLGBING-CQSZACIVSA-N 2 0 279.428 1.558 10 0 CDAERP O[C@@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)CC1(O)CCC1 ZINC000528394323 361323623 /nfs/dbraw/zinc/32/36/23/361323623.db2.gz ZGGAHPOBHCHCFH-JKSUJKDBSA-N 2 0 296.455 1.460 10 0 CDAERP CCC[C@@H]1CN(C(=O)CC[C@@H](C)[NH3+])CC[N@@H+]1CCOC ZINC000566295596 370674519 /nfs/dbraw/zinc/67/45/19/370674519.db2.gz SEFQKSJHAPGMIY-ZIAGYGMSSA-N 2 0 285.432 1.073 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC1CC[NH+](CCC(F)(F)F)CC1 ZINC000414936573 370681857 /nfs/dbraw/zinc/68/18/57/370681857.db2.gz VAYREEZQXCCGHN-YPMHNXCESA-N 2 0 293.377 1.991 10 0 CDAERP C[C@@H]([NH3+])[C@H]1CCN(CC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000168636010 361342871 /nfs/dbraw/zinc/34/28/71/361342871.db2.gz WNPASSKUORKYFS-ZJUUUORDSA-N 2 0 283.322 1.572 10 0 CDAERP Cc1ccc(C[NH2+]CC2CC[NH+](CCO)CC2)s1 ZINC000069418138 370762254 /nfs/dbraw/zinc/76/22/54/370762254.db2.gz SKODUPCAJQCSGV-UHFFFAOYSA-N 2 0 268.426 1.850 10 0 CDAERP CC[NH+](CC)CCCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000566629284 370780635 /nfs/dbraw/zinc/78/06/35/370780635.db2.gz PZLROJXLTKYMDX-AWEZNQCLSA-N 2 0 269.433 1.566 10 0 CDAERP C[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)[C@@H]1CCOC1 ZINC000166354127 364338284 /nfs/dbraw/zinc/33/82/84/364338284.db2.gz DHEDXFQKDAKBNR-IUODEOHRSA-N 2 0 260.381 1.847 10 0 CDAERP C[C@H]([NH3+])CCC(=O)NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000248864034 364311054 /nfs/dbraw/zinc/31/10/54/364311054.db2.gz MSUXSBJQHZNECX-IHRRRGAJSA-N 2 0 285.432 1.119 10 0 CDAERP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000394179510 364368371 /nfs/dbraw/zinc/36/83/71/364368371.db2.gz OEKHJGAVQDIUNH-RYUDHWBXSA-N 2 0 289.370 1.209 10 0 CDAERP COC[C@H](C)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000187196939 364715199 /nfs/dbraw/zinc/71/51/99/364715199.db2.gz DSLSUDFEBYMPGT-CVEARBPZSA-N 2 0 283.460 1.371 10 0 CDAERP CN(CC[NH+](C)C)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000354501428 365514843 /nfs/dbraw/zinc/51/48/43/365514843.db2.gz DJKAWMGMYRYVEF-ZDUSSCGKSA-N 2 0 255.406 1.271 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000626959901 366904368 /nfs/dbraw/zinc/90/43/68/366904368.db2.gz JGGUQTGWNFRTHT-HIFRSBDPSA-N 2 0 296.459 1.548 10 0 CDAERP C[C@H]([NH3+])CNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000641494755 365494661 /nfs/dbraw/zinc/49/46/61/365494661.db2.gz YYXMRZCNZKJGAQ-DZGCQCFKSA-N 2 0 290.411 1.250 10 0 CDAERP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1CCN(c2ccc(F)cc2)C1 ZINC000414350731 241162524 /nfs/dbraw/zinc/16/25/24/241162524.db2.gz QZSBTKGEHKYUNV-INWMFGNUSA-N 2 0 277.387 1.944 10 0 CDAERP CCN(CC[NH3+])C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000626973465 367115932 /nfs/dbraw/zinc/11/59/32/367115932.db2.gz WBMWLZRGLUDHSU-STQMWFEESA-N 2 0 270.421 1.240 10 0 CDAERP CC(C)[NH+](CCCNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)C(C)C ZINC000626991679 367187516 /nfs/dbraw/zinc/18/75/16/367187516.db2.gz JUJUPGGAZPLGOX-HUUCEWRRSA-N 2 0 298.475 1.935 10 0 CDAERP C[C@H]1CC[C@H](NC(=O)NCC2([NH3+])CCCCCC2)C[NH2+]1 ZINC000627063858 367321705 /nfs/dbraw/zinc/32/17/05/367321705.db2.gz UUHKJMIEOHPMGN-STQMWFEESA-N 2 0 282.432 1.478 10 0 CDAERP C[C@H]1CCC[N@H+](CCCCNC(=O)NCCC[NH3+])C1 ZINC000417046190 242289370 /nfs/dbraw/zinc/28/93/70/242289370.db2.gz PDULMDTZSCSQKN-ZDUSSCGKSA-N 2 0 270.421 1.147 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C[NH2+]1 ZINC000627196274 367682238 /nfs/dbraw/zinc/68/22/38/367682238.db2.gz RMIAYTCWAGSVMF-QLFBSQMISA-N 2 0 294.443 1.397 10 0 CDAERP CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000627199293 367686433 /nfs/dbraw/zinc/68/64/33/367686433.db2.gz UWHGVBRROMPNGJ-BFHYXJOUSA-N 2 0 282.432 1.299 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627197277 367687006 /nfs/dbraw/zinc/68/70/06/367687006.db2.gz ZUNIYKTVTLTHIB-ZIAGYGMSSA-N 2 0 284.448 1.356 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627203003 367698290 /nfs/dbraw/zinc/69/82/90/367698290.db2.gz LHTZFRFRWRJFFS-CHWSQXEVSA-N 2 0 270.421 1.110 10 0 CDAERP CC[NH+](CC)CCC[C@@H](C)NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638047364 367778163 /nfs/dbraw/zinc/77/81/63/367778163.db2.gz FMTQZTLCQKXZPR-OCCSQVGLSA-N 2 0 267.417 1.661 10 0 CDAERP C(C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)OC[C@@H]1CCCO1 ZINC000570964152 294343349 /nfs/dbraw/zinc/34/33/49/294343349.db2.gz DYLBLFDJUFYCLH-LSDHHAIUSA-N 2 0 268.401 1.258 10 0 CDAERP [NH3+]C1(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)CCCCC1 ZINC000366626206 368368211 /nfs/dbraw/zinc/36/82/11/368368211.db2.gz AYQDUXBLJDWBGE-KBPBESRZSA-N 2 0 279.428 1.639 10 0 CDAERP [NH3+][C@@H](CNC(=O)NC1CCC([NH3+])CC1)c1ccccc1 ZINC000418382062 243008568 /nfs/dbraw/zinc/00/85/68/243008568.db2.gz HRBBZVBYHWDHRF-RUXDESIVSA-N 2 0 276.384 1.256 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C[NH3+])CC(C)C)[C@@H](C)C1 ZINC000418421273 243055322 /nfs/dbraw/zinc/05/53/22/243055322.db2.gz BBAJVHSCWNGAOZ-KKUMJFAQSA-N 2 0 298.475 1.732 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)NC[C@@H]([NH3+])c2ccccc2)CC[NH2+]1 ZINC000418442767 243081824 /nfs/dbraw/zinc/08/18/24/243081824.db2.gz DZTHYRCZHDLVDO-MRVWCRGKSA-N 2 0 276.384 1.126 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000418548090 243202674 /nfs/dbraw/zinc/20/26/74/243202674.db2.gz JQDFVZYROLYOTP-RBSFLKMASA-N 2 0 294.443 1.112 10 0 CDAERP CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000418549732 243203884 /nfs/dbraw/zinc/20/38/84/243203884.db2.gz AASFNTNNXTZHOD-ZIAGYGMSSA-N 2 0 284.448 1.358 10 0 CDAERP C(C[C@@H]1CCO1)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000638114135 368465086 /nfs/dbraw/zinc/46/50/86/368465086.db2.gz XRLDQDXIFPWNFG-LSDHHAIUSA-N 2 0 252.402 1.973 10 0 CDAERP CC[C@@H]1C[N@H+](CC)CCN1C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000418587715 243242709 /nfs/dbraw/zinc/24/27/09/243242709.db2.gz HBHJGSMLWZRXHA-MGPQQGTHSA-N 2 0 282.432 1.110 10 0 CDAERP CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000418590082 243246215 /nfs/dbraw/zinc/24/62/15/243246215.db2.gz JHTTWCKBXVQTCH-KGLIPLIRSA-N 2 0 284.448 1.358 10 0 CDAERP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@@H]3C[C@H]4C[C@H]4C3)CC2)C1 ZINC000660075034 412771314 /nfs/dbraw/zinc/77/13/14/412771314.db2.gz VJWBEPKBDDELDI-YYIAUSFCSA-N 2 0 277.456 1.744 10 0 CDAERP CO[C@H](CC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)C(F)(F)F ZINC000423076252 294405403 /nfs/dbraw/zinc/40/54/03/294405403.db2.gz YTRBGMROJIMYMJ-HBNTYKKESA-N 2 0 268.323 1.932 10 0 CDAERP C(NC1=[NH+]CCCN1)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000630387295 368855332 /nfs/dbraw/zinc/85/53/32/368855332.db2.gz MLZWJZHMFNZUNQ-CYBMUJFWSA-N 2 0 250.390 1.332 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000543655099 368944916 /nfs/dbraw/zinc/94/49/16/368944916.db2.gz AYTFWUGODYSWRH-UHFFFAOYSA-N 2 0 298.475 1.844 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001661399463 1172384145 /nfs/dbraw/zinc/38/41/45/1172384145.db2.gz MVVUWKKDLWGBMP-IHRRRGAJSA-N 2 0 267.417 1.508 10 0 CDAERP COc1ncc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(C)n1 ZINC000369054858 369675714 /nfs/dbraw/zinc/67/57/14/369675714.db2.gz MYOOAWBDPSLLKK-DZGCQCFKSA-N 2 0 290.411 1.710 10 0 CDAERP CO[C@H](C[NH2+]C[C@@H](O)CN1CCCCC1)C1CCCC1 ZINC000638412761 369894242 /nfs/dbraw/zinc/89/42/42/369894242.db2.gz SPUSEVYESIBQNM-HZPDHXFCSA-N 2 0 284.444 1.628 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)C[NH+]2CCCCC2)CC[N@@H+]1C ZINC000630785776 370007449 /nfs/dbraw/zinc/00/74/49/370007449.db2.gz HPTHLEZCUOISIE-OWCLPIDISA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)C[NH+]2CCCCC2)C1 ZINC000249758159 370183282 /nfs/dbraw/zinc/18/32/82/370183282.db2.gz JGZZNXAZLAWSOQ-CABCVRRESA-N 2 0 296.459 1.644 10 0 CDAERP C[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000252437852 370204980 /nfs/dbraw/zinc/20/49/80/370204980.db2.gz YAHUWRAMVHPPHA-YUTCNCBUSA-N 2 0 265.401 1.118 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1CSc2ccccc2O1 ZINC000564988971 370318859 /nfs/dbraw/zinc/31/88/59/370318859.db2.gz HWAGWCPUFITEKT-OLZOCXBDSA-N 2 0 296.436 1.883 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000418205743 370289752 /nfs/dbraw/zinc/28/97/52/370289752.db2.gz ZSRRFWCICDVROR-UTUOFQBUSA-N 2 0 258.410 1.142 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000564956928 370310031 /nfs/dbraw/zinc/31/00/31/370310031.db2.gz YJDWUVAGCVBJPI-XQQFMLRXSA-N 2 0 253.390 1.199 10 0 CDAERP [NH3+]C1(c2noc(CSC3CC[NH2+]CC3)n2)CCCC1 ZINC000564959893 370311834 /nfs/dbraw/zinc/31/18/34/370311834.db2.gz NXXHTNHVQZMNHY-UHFFFAOYSA-N 2 0 282.413 1.783 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2C[NH+](C)C)C1 ZINC000565179178 370373029 /nfs/dbraw/zinc/37/30/29/370373029.db2.gz DVLUZPGWSCMKEC-UONOGXRCSA-N 2 0 267.417 1.271 10 0 CDAERP C[C@@H]1C[C@@H](C)N(C(=O)c2ccc(C[NH3+])cc2)C[C@H]1C[NH3+] ZINC000422544362 245105010 /nfs/dbraw/zinc/10/50/10/245105010.db2.gz UWIWJDOUCVHWNF-LALPHHSUSA-N 2 0 275.396 1.591 10 0 CDAERP Cc1c(Cl)c(C[NH2+]CC[C@H]2CC[NH2+]C2)nn1C ZINC000422557408 245109905 /nfs/dbraw/zinc/10/99/05/245109905.db2.gz WAXKATVYUDRJPM-SNVBAGLBSA-N 2 0 256.781 1.471 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCO[C@H]1CCCC[C@@H]1C ZINC000422705399 245162105 /nfs/dbraw/zinc/16/21/05/245162105.db2.gz BTJGXAPLWBBDLD-KKUMJFAQSA-N 2 0 272.433 1.925 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCC[N@H+](C)C1CCCCC1 ZINC000422709308 245166811 /nfs/dbraw/zinc/16/68/11/245166811.db2.gz YUKXVBWZQNMHEP-BPUTZDHNSA-N 2 0 283.460 1.593 10 0 CDAERP CCOCC[C@H](O)C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000567697425 371105676 /nfs/dbraw/zinc/10/56/76/371105676.db2.gz XTIUIGOUSJGLKF-AWEZNQCLSA-N 2 0 263.341 1.211 10 0 CDAERP CC[C@@H]([NH2+][C@@H](CCC[NH3+])COC)c1c(C)nn(C)c1C ZINC000422799749 245268643 /nfs/dbraw/zinc/26/86/43/245268643.db2.gz YGKLYWZLBSZCMT-UONOGXRCSA-N 2 0 282.432 1.832 10 0 CDAERP CCCN(C(=O)CC[C@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH2+]C1 ZINC000567829523 371164449 /nfs/dbraw/zinc/16/44/49/371164449.db2.gz YRCPCUKJBHZOTA-HUUCEWRRSA-N 2 0 281.444 1.851 10 0 CDAERP CC[C@@H]([NH3+])CNCc1cn(-c2cc[nH+]cc2)nc1C ZINC000414973179 371179028 /nfs/dbraw/zinc/17/90/28/371179028.db2.gz BWUPRLSRLQSTOH-CYBMUJFWSA-N 2 0 259.357 1.403 10 0 CDAERP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H]1CCC[N@@H+]1C ZINC000422899182 245382960 /nfs/dbraw/zinc/38/29/60/245382960.db2.gz GXQLQVMTTDNDLX-CWRNSKLLSA-N 2 0 261.413 1.629 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)NCC[NH+](C)C(C)C)C1 ZINC000171164428 371716563 /nfs/dbraw/zinc/71/65/63/371716563.db2.gz DLXIUPVMFLQKCD-ZDUSSCGKSA-N 2 0 270.421 1.110 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000171191143 371719154 /nfs/dbraw/zinc/71/91/54/371719154.db2.gz VAHYXFSXNWVARW-HNNXBMFYSA-N 2 0 296.459 1.644 10 0 CDAERP C(=C/CN1C[C@H]2CC[C@@H](C1)O2)\CN1C[C@H]2CC[C@@H](C1)O2 ZINC000377917626 371746713 /nfs/dbraw/zinc/74/67/13/371746713.db2.gz QTNUQPBNHBJUBU-NTXWRNLQSA-N 2 0 278.396 1.269 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+]CCNC(=O)c1ccccc1 ZINC000422907145 245394885 /nfs/dbraw/zinc/39/48/85/245394885.db2.gz BEIWBSFVRPTHLC-CYBMUJFWSA-N 2 0 263.385 1.524 10 0 CDAERP CC[N@@H+]1CC[C@H](C[NH2+]C2CCN(c3cnccn3)CC2)C1 ZINC000531954727 372901385 /nfs/dbraw/zinc/90/13/85/372901385.db2.gz PXEJOAPRBSFQDY-CQSZACIVSA-N 2 0 289.427 1.377 10 0 CDAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000333451237 205331159 /nfs/dbraw/zinc/33/11/59/205331159.db2.gz XNWICEVYTZSUGY-HZSPNIEDSA-N 2 0 282.432 1.014 10 0 CDAERP CC[C@H](Cn1cncn1)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423276942 245706933 /nfs/dbraw/zinc/70/69/33/245706933.db2.gz NPVKDSUJGDOFAT-JHJVBQTASA-N 2 0 251.378 1.164 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000645684761 373238606 /nfs/dbraw/zinc/23/86/06/373238606.db2.gz FFLJBQVOXRBTBO-IHRRRGAJSA-N 2 0 267.417 1.495 10 0 CDAERP C[C@H]([NH2+]CC[C@@H](O)C(F)F)C1CC[NH+](C)CC1 ZINC000631697557 373579724 /nfs/dbraw/zinc/57/97/24/373579724.db2.gz NEYIJROVLUIAPZ-GXSJLCMTSA-N 2 0 250.333 1.322 10 0 CDAERP C[C@@H]1OCC[C@@H]1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000631822722 373705291 /nfs/dbraw/zinc/70/52/91/373705291.db2.gz MGDOBSJLXBCHJO-YJNKXOJESA-N 2 0 252.402 1.875 10 0 CDAERP COCC[C@H](CO)[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000341551764 373786484 /nfs/dbraw/zinc/78/64/84/373786484.db2.gz GCYALIQOIUYWLL-CQSZACIVSA-N 2 0 290.367 1.063 10 0 CDAERP C[C@H]1C[N@H+](CCOc2ccccc2F)C[C@H]1C[NH3+] ZINC000631843855 373900785 /nfs/dbraw/zinc/90/07/85/373900785.db2.gz SKLGZHLRTKRPHH-NWDGAFQWSA-N 2 0 252.333 1.731 10 0 CDAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000418621388 374455114 /nfs/dbraw/zinc/45/51/14/374455114.db2.gz SMKAXBFJUAFCOS-XGUBFFRZSA-N 2 0 294.443 1.253 10 0 CDAERP C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631888270 374505990 /nfs/dbraw/zinc/50/59/90/374505990.db2.gz XTEJBYALJARWHR-FZKCQIBNSA-N 2 0 293.455 1.850 10 0 CDAERP CC[C@H](COC)[NH2+][C@H]1CCO[C@H](c2cncn2C)C1 ZINC000328626643 374723834 /nfs/dbraw/zinc/72/38/34/374723834.db2.gz FHVFGDIMWVWCTF-DYEKYZERSA-N 2 0 267.373 1.655 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccc(C(F)F)nc1)N1CC[NH+](C)CC1 ZINC000631065895 374872562 /nfs/dbraw/zinc/87/25/62/374872562.db2.gz VRUMINWHXMGPCS-LBPRGKRZSA-N 2 0 298.381 1.745 10 0 CDAERP CC(C)[C@H](CNCc1nccn1C)[NH+]1CCCC1 ZINC000051921315 375589486 /nfs/dbraw/zinc/58/94/86/375589486.db2.gz BYVMCHYRZWMBFP-ZDUSSCGKSA-N 2 0 250.390 1.630 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000417027834 375711832 /nfs/dbraw/zinc/71/18/32/375711832.db2.gz OFZCPGXWVJOOEA-ILXRZTDVSA-N 2 0 294.443 1.254 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H](C)CC[NH+](C)C)cc1 ZINC000417305403 375756470 /nfs/dbraw/zinc/75/64/70/375756470.db2.gz ASTOFFHCOZCYKE-STQMWFEESA-N 2 0 292.427 1.846 10 0 CDAERP COc1ccc(OCCC[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000193656087 375889651 /nfs/dbraw/zinc/88/96/51/375889651.db2.gz ZVMBRRVBVGJVST-GASCZTMLSA-N 2 0 290.407 1.958 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@H]2[NH2+]CC2(C)C)CC1 ZINC000638975753 376320660 /nfs/dbraw/zinc/32/06/60/376320660.db2.gz PBNCKEFTMGYSGO-GFCCVEGCSA-N 2 0 267.417 1.317 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)NCC(C)(C)[NH3+])CC1 ZINC000417394481 376555106 /nfs/dbraw/zinc/55/51/06/376555106.db2.gz SQBNDCKFCRTPGT-UHFFFAOYSA-N 2 0 270.421 1.145 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C2CN(c3ccncn3)C2)[C@H]2CCC[C@@H]21 ZINC000631748106 376540638 /nfs/dbraw/zinc/54/06/38/376540638.db2.gz XBXBEGTYOJRZBY-ILXRZTDVSA-N 2 0 287.411 1.128 10 0 CDAERP C[C@@H](CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)[NH+](C)C1CC1 ZINC000246342762 376634126 /nfs/dbraw/zinc/63/41/26/376634126.db2.gz CESFBEBKMKMBMC-ZFWWWQNUSA-N 2 0 294.443 1.349 10 0 CDAERP C[C@H]([NH3+])C1CC[NH+](Cc2ccc3oc(=O)n(C)c3c2)CC1 ZINC000631821150 376640946 /nfs/dbraw/zinc/64/09/46/376640946.db2.gz QIFOOGNASVTSGR-NSHDSACASA-N 2 0 289.379 1.691 10 0 CDAERP C[C@@H]1COCC[C@H]1[NH2+]C/C=C/C[NH2+][C@H]1CCOC[C@H]1C ZINC000433148197 247992425 /nfs/dbraw/zinc/99/24/25/247992425.db2.gz QIGZRZWGAUOZEF-VCFYFLBXSA-N 2 0 282.428 1.572 10 0 CDAERP CC[NH+](CC)CCCN1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631891152 376786430 /nfs/dbraw/zinc/78/64/30/376786430.db2.gz WJDCXNQWNBRYFQ-GJZGRUSLSA-N 2 0 253.434 1.792 10 0 CDAERP CC[NH+](CC)CCN(CC(C)C)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000094568386 284613686 /nfs/dbraw/zinc/61/36/86/284613686.db2.gz MFLMHBBSUIENGH-CABCVRRESA-N 2 0 299.459 1.319 10 0 CDAERP CC[N@H+](CCNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C)C(C)C ZINC000417453952 377242780 /nfs/dbraw/zinc/24/27/80/377242780.db2.gz BOJYWDKYGRWNMQ-CHWSQXEVSA-N 2 0 270.421 1.014 10 0 CDAERP CC[N@H+](CCNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)C(C)C ZINC000417465294 377332033 /nfs/dbraw/zinc/33/20/33/377332033.db2.gz SFIBOBSHGAIZSM-MRXNPFEDSA-N 2 0 296.459 1.502 10 0 CDAERP Cn1c2ccccc2cc(C[NH2+]CCN2CCCC2)c1=O ZINC000039287333 377426490 /nfs/dbraw/zinc/42/64/90/377426490.db2.gz DZWIISZKGDIKKB-UHFFFAOYSA-N 2 0 285.391 1.724 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CC[NH+](CC)CC ZINC000572059252 377678281 /nfs/dbraw/zinc/67/82/81/377678281.db2.gz YVNIPMSOADBWJA-LSDHHAIUSA-N 2 0 299.459 1.070 10 0 CDAERP [NH3+]CCN[C@@H]1CCOc2c(Br)cccc21 ZINC000334967093 377740348 /nfs/dbraw/zinc/74/03/48/377740348.db2.gz LQVLSWRBJAWRII-SNVBAGLBSA-N 2 0 271.158 1.821 10 0 CDAERP CC[NH+](CC)CCCN1CC[C@H](c2nnc[nH]2)C1 ZINC000425547214 378363287 /nfs/dbraw/zinc/36/32/87/378363287.db2.gz LOSICFRVDNWELC-LBPRGKRZSA-N 2 0 251.378 1.326 10 0 CDAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(C[NH3+])cc1 ZINC000186463943 378850621 /nfs/dbraw/zinc/85/06/21/378850621.db2.gz DAJGYHIEFQDBOL-HZPDHXFCSA-N 2 0 287.407 1.844 10 0 CDAERP CCCCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001662415314 1172544863 /nfs/dbraw/zinc/54/48/63/1172544863.db2.gz SOHKUPNAUJZASH-QWHCGFSZSA-N 2 0 255.406 1.223 10 0 CDAERP CCn1nccc1C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000657573468 412904372 /nfs/dbraw/zinc/90/43/72/412904372.db2.gz NVUFMUOVEKEMJG-AWEZNQCLSA-N 2 0 281.448 1.265 10 0 CDAERP CC[C@@H]1C[C@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)CCO1 ZINC000657572794 412904620 /nfs/dbraw/zinc/90/46/20/412904620.db2.gz GQCLOGBTNGLSLL-ARFHVFGLSA-N 2 0 285.476 1.806 10 0 CDAERP Cc1noc(C)c1C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000657573004 412904791 /nfs/dbraw/zinc/90/47/91/412904791.db2.gz HQSANDVAKKMDOB-LBPRGKRZSA-N 2 0 282.432 1.653 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cc2n(n1)CCC2 ZINC000657573772 412906566 /nfs/dbraw/zinc/90/65/66/412906566.db2.gz SYYVYXWONUFFKX-AWEZNQCLSA-N 2 0 293.459 1.191 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)NCC2([NH+](C)C)CCC2)CC[N@@H+]1C ZINC000446621884 250304522 /nfs/dbraw/zinc/30/45/22/250304522.db2.gz DCSZKBKTEMMGAX-ZIAGYGMSSA-N 2 0 296.459 1.595 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccccn1 ZINC000657574288 412907718 /nfs/dbraw/zinc/90/77/18/412907718.db2.gz VLLYWEVEJXRYAU-AWEZNQCLSA-N 2 0 264.417 1.443 10 0 CDAERP COc1ccc([C@H](O)CN2CCC[NH2+]CC2)cc1 ZINC000041306812 379364521 /nfs/dbraw/zinc/36/45/21/379364521.db2.gz VIOSPLQJTCNTQN-CQSZACIVSA-N 2 0 250.342 1.024 10 0 CDAERP [NH3+]Cc1ccc(-c2noc([C@H](F)[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000634558408 379672036 /nfs/dbraw/zinc/67/20/36/379672036.db2.gz XOHWBLPNLNWRPK-VXGBXAGGSA-N 2 0 276.315 1.815 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000417008239 284800653 /nfs/dbraw/zinc/80/06/53/284800653.db2.gz LWAMTHVMICRUEJ-OCCSQVGLSA-N 2 0 270.421 1.097 10 0 CDAERP CC[C@@H]([NH2+]C)C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000662356779 412917930 /nfs/dbraw/zinc/91/79/30/412917930.db2.gz XMUOOBKHUABPHA-KGLIPLIRSA-N 2 0 263.385 1.404 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C/C=C/CO ZINC000657594276 412921686 /nfs/dbraw/zinc/92/16/86/412921686.db2.gz NZRRNXYRDGJYOV-NSCUHMNNSA-N 2 0 258.325 1.214 10 0 CDAERP C[C@@H]([NH2+]Cc1ccnn1-c1cc[nH+]cc1)C1(CO)CC1 ZINC000657605262 412944158 /nfs/dbraw/zinc/94/41/58/412944158.db2.gz MLZGCTQSYDANER-GFCCVEGCSA-N 2 0 272.352 1.518 10 0 CDAERP CC(C)([NH3+])c1cc(C(=O)Nc2cccc(C[NH3+])c2)on1 ZINC000662393127 412954923 /nfs/dbraw/zinc/95/49/23/412954923.db2.gz PIESWJPZKMFHHD-UHFFFAOYSA-N 2 0 274.324 1.579 10 0 CDAERP [NH3+]C1(C(=O)NCC2([NH3+])CCCCCC2)CC2(CCC2)C1 ZINC000662398877 412960090 /nfs/dbraw/zinc/96/00/90/412960090.db2.gz JZNWOXXPOFJSAE-UHFFFAOYSA-N 2 0 279.428 1.816 10 0 CDAERP CC(C)[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001662918939 1172615053 /nfs/dbraw/zinc/61/50/53/1172615053.db2.gz LUTSETZEXQABRN-ZIAGYGMSSA-N 2 0 269.433 1.752 10 0 CDAERP COC1([C@@H](C)[NH2+]CCC[NH+]2CCCC2)CCOCC1 ZINC000453070762 252265999 /nfs/dbraw/zinc/26/59/99/252265999.db2.gz BZUCCGWBGAYQIW-CQSZACIVSA-N 2 0 270.417 1.646 10 0 CDAERP [NH3+]CC1(CCNC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000655968671 412968276 /nfs/dbraw/zinc/96/82/76/412968276.db2.gz DINHUHWURUFZIX-KGLIPLIRSA-N 2 0 294.443 1.432 10 0 CDAERP Cc1ccncc1C[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000281041803 195080427 /nfs/dbraw/zinc/08/04/27/195080427.db2.gz ZJQZJKLCVQQMNC-UHFFFAOYSA-N 2 0 290.455 1.753 10 0 CDAERP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655970220 412983504 /nfs/dbraw/zinc/98/35/04/412983504.db2.gz FDIORLCVDJGHEJ-IGQOVBAYSA-N 2 0 282.432 1.238 10 0 CDAERP CC1(C)CCC[C@@H]1[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000492890410 253318528 /nfs/dbraw/zinc/31/85/28/253318528.db2.gz LTAWABPFVXNRHF-HNNXBMFYSA-N 2 0 293.455 1.898 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)[C@@H]([NH3+])COC(C)C)CC1 ZINC000662419246 412993744 /nfs/dbraw/zinc/99/37/44/412993744.db2.gz XAPPXAVXTDHYJP-AWEZNQCLSA-N 2 0 285.432 1.119 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)CC1CC(C)C1 ZINC001663339770 1172676228 /nfs/dbraw/zinc/67/62/28/1172676228.db2.gz QZTPNVXDBYPRDU-UHFFFAOYSA-N 2 0 269.433 1.421 10 0 CDAERP C[NH+](C)CC1CC[NH+]([C@@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000044170010 390651969 /nfs/dbraw/zinc/65/19/69/390651969.db2.gz AUBQQKSDVAZADN-IAGOWNOFSA-N 2 0 274.408 1.918 10 0 CDAERP C[C@]1(C[N@@H+]2CCOCC3(CCCC3)C2)CC[NH2+]C1 ZINC000647538913 390687426 /nfs/dbraw/zinc/68/74/26/390687426.db2.gz NKCJWZAIJQGPGI-AWEZNQCLSA-N 2 0 252.402 1.879 10 0 CDAERP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000262068210 390813821 /nfs/dbraw/zinc/81/38/21/390813821.db2.gz FTQWUWBUCKJVSI-SUMWQHHRSA-N 2 0 299.418 1.989 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)CO1 ZINC000647187495 390835587 /nfs/dbraw/zinc/83/55/87/390835587.db2.gz OYJAFJCWJQSPRO-HZPDHXFCSA-N 2 0 295.471 1.704 10 0 CDAERP CC(C)[NH+]1CCC([NH2+]CC(C)(C)[C@]2(O)CCOC2)CC1 ZINC000647339508 390943211 /nfs/dbraw/zinc/94/32/11/390943211.db2.gz UPMGHUUNFODIKP-INIZCTEOSA-N 2 0 284.444 1.626 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)CC[NH2+]1 ZINC000647479482 390966675 /nfs/dbraw/zinc/96/66/75/390966675.db2.gz IYDWRYYZHJPAMH-WCVJEAGWSA-N 3 0 265.445 1.839 10 0 CDAERP C[C@@H](Cc1ccccc1)C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000415102249 391028992 /nfs/dbraw/zinc/02/89/92/391028992.db2.gz DGTXYTAQYLCSIG-GOEBONIOSA-N 2 0 262.397 1.915 10 0 CDAERP Cc1nn(C)c(C)c1CC[NH2+][C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000415085267 391004208 /nfs/dbraw/zinc/00/42/08/391004208.db2.gz PSNPIVARIIPUEZ-SMDDNHRTSA-N 2 0 264.417 1.700 10 0 CDAERP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423584386 391059391 /nfs/dbraw/zinc/05/93/91/391059391.db2.gz DOAMVWORMIMJSZ-GHMZBOCLSA-N 2 0 262.357 1.147 10 0 CDAERP C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]C[C@H]2CC[NH2+]C2)C1 ZINC000647892238 391169275 /nfs/dbraw/zinc/16/92/75/391169275.db2.gz GQZKCFDJBRZTTG-IPYPFGDCSA-N 2 0 254.418 1.763 10 0 CDAERP CCN(C)C(=O)CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647904069 391201702 /nfs/dbraw/zinc/20/17/02/391201702.db2.gz VXBPECAQZCZFME-KBPBESRZSA-N 2 0 267.417 1.319 10 0 CDAERP C[NH+](C)CC(C)(C)NC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418338324 391337592 /nfs/dbraw/zinc/33/75/92/391337592.db2.gz COQNAIJMRKXZLY-LBPRGKRZSA-N 2 0 270.421 1.016 10 0 CDAERP CC1=CC[N@H+](CCNC(=O)N[C@H](C[NH3+])CC(C)C)CC1 ZINC000418024891 391337938 /nfs/dbraw/zinc/33/79/38/391337938.db2.gz NGADVHAKKSRBCS-AWEZNQCLSA-N 2 0 282.432 1.311 10 0 CDAERP CC(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000353456692 391392755 /nfs/dbraw/zinc/39/27/55/391392755.db2.gz WGRANQQBBBVDNX-XHSDSOJGSA-N 2 0 279.428 1.460 10 0 CDAERP CCN(CCC[NH+](CC)CC)C(=O)NCCC[NH3+] ZINC000418363547 391412618 /nfs/dbraw/zinc/41/26/18/391412618.db2.gz WBPKOWXBTWVDEL-UHFFFAOYSA-N 2 0 258.410 1.099 10 0 CDAERP CS[C@@H]1CC[C@@H]1[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000425341041 391465395 /nfs/dbraw/zinc/46/53/95/391465395.db2.gz FMSHLOJLWRYOQS-QWHCGFSZSA-N 2 0 272.458 1.705 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000417847721 391517928 /nfs/dbraw/zinc/51/79/28/391517928.db2.gz ZOQMFSSVCIAUDR-TZMCWYRMSA-N 2 0 263.385 1.710 10 0 CDAERP c1nnc([C@@H]2CCC[N@@H+](C[C@H]3CC[NH2+]C3)C2)n1C1CC1 ZINC000647988498 391644788 /nfs/dbraw/zinc/64/47/88/391644788.db2.gz SHDQIMSHLOWYBX-QWHCGFSZSA-N 2 0 275.400 1.402 10 0 CDAERP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCN(C)C(=O)C1 ZINC000424326072 391672994 /nfs/dbraw/zinc/67/29/94/391672994.db2.gz NECLUYNBPZQORC-AAVRWANBSA-N 2 0 267.417 1.173 10 0 CDAERP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCC[NH3+])C1 ZINC000417588482 391684605 /nfs/dbraw/zinc/68/46/05/391684605.db2.gz UIHVBGRMVSWZBA-ZDUSSCGKSA-N 2 0 284.448 1.535 10 0 CDAERP c1ccc(N2CCC([NH2+][C@@H]3CCCC[NH2+]C3)CC2)nc1 ZINC000415068348 391742650 /nfs/dbraw/zinc/74/26/50/391742650.db2.gz MRMLROXOOPDYGK-OAHLLOKOSA-N 2 0 274.412 1.782 10 0 CDAERP C[NH+](C)Cc1cc(CNC(=O)N[C@H]2CC[NH2+]C2)ccc1F ZINC000417659592 391724266 /nfs/dbraw/zinc/72/42/66/391724266.db2.gz LFQDEQDWYULBGF-ZDUSSCGKSA-N 2 0 294.374 1.048 10 0 CDAERP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])cc1 ZINC000415017348 391725261 /nfs/dbraw/zinc/72/52/61/391725261.db2.gz PTYCEJQXOCKGSA-SDDRHHMPSA-N 2 0 279.384 1.738 10 0 CDAERP C[C@H](CC[NH3+])NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000417665803 391727037 /nfs/dbraw/zinc/72/70/37/391727037.db2.gz ZTMSTIBQPVAUFZ-LLVKDONJSA-N 2 0 296.390 1.424 10 0 CDAERP C[C@H](C(=O)NCCC[NH+]1CCC(C)CC1)C1C[NH2+]C1 ZINC000164407458 130055937 /nfs/dbraw/zinc/05/59/37/130055937.db2.gz JEEIHHURZHMOQS-ZDUSSCGKSA-N 2 0 267.417 1.080 10 0 CDAERP CC[NH+]1CCC(N2CCC[N@H+](C[C@H](O)C(C)C)CC2)CC1 ZINC000420984694 391779351 /nfs/dbraw/zinc/77/93/51/391779351.db2.gz UJHIYKYGPWBUOU-KRWDZBQOSA-N 2 0 297.487 1.495 10 0 CDAERP c1csc(C2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)n1 ZINC000649412007 392196027 /nfs/dbraw/zinc/19/60/27/392196027.db2.gz CBCIYIDXJVMUSU-LLVKDONJSA-N 2 0 251.399 1.932 10 0 CDAERP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000423098151 392340946 /nfs/dbraw/zinc/34/09/46/392340946.db2.gz CFKXQFLFFVXYKN-MNOVXSKESA-N 2 0 271.311 1.900 10 0 CDAERP C[C@H]1COCC[C@@H]1[NH2+]CCC[NH2+][C@H]1CCOC[C@H]1C ZINC000433155835 392361712 /nfs/dbraw/zinc/36/17/12/392361712.db2.gz ZKIJNMOROGGFNT-XGUBFFRZSA-N 2 0 270.417 1.406 10 0 CDAERP COc1ccc(CN[C@@H](C)c2c[nH+]ccc2N)c(OC)n1 ZINC000423131638 392370325 /nfs/dbraw/zinc/37/03/25/392370325.db2.gz BEMNCQSDQGZBMG-JTQLQIEISA-N 2 0 288.351 1.757 10 0 CDAERP [NH3+][C@@H]1C[C@@H](NC[C@H]2CCCC[N@@H+]2CCO)c2ccccc21 ZINC000423146152 392386037 /nfs/dbraw/zinc/38/60/37/392386037.db2.gz OGPNOOVJPNOJBY-KBRIMQKVSA-N 2 0 289.423 1.568 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](O)Cc1cccc(F)c1 ZINC000423142542 392381119 /nfs/dbraw/zinc/38/11/19/392381119.db2.gz AMBYIPGULPTNFF-CABCVRRESA-N 2 0 284.375 1.073 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)c2conc2C(C)(C)[NH3+])CC[N@@H+]1C ZINC000568232245 392424515 /nfs/dbraw/zinc/42/45/15/392424515.db2.gz JCZFFEXFHRRXOW-GHMZBOCLSA-N 2 0 294.399 1.423 10 0 CDAERP CC[C@H](Cn1cncn1)[NH2+]CC1([NH3+])CCCCCC1 ZINC000423198451 392434728 /nfs/dbraw/zinc/43/47/28/392434728.db2.gz FXLJKSSWCDJHAM-CYBMUJFWSA-N 2 0 265.405 1.698 10 0 CDAERP C[N@@H+]1CCC[C@H](CC[NH2+][C@H](C2CC2)[C@H]2CNCCO2)C1 ZINC000423165921 392404713 /nfs/dbraw/zinc/40/47/13/392404713.db2.gz BTNMKVKKEMFWLA-FVQBIDKESA-N 2 0 281.444 1.075 10 0 CDAERP CC[C@H](Cn1cncn1)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423345345 392531516 /nfs/dbraw/zinc/53/15/16/392531516.db2.gz YUPGCTWCXINTDO-GFCCVEGCSA-N 2 0 251.378 1.036 10 0 CDAERP COc1ccc([C@H](NC[C@@H]([NH3+])C2CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423320057 392510781 /nfs/dbraw/zinc/51/07/81/392510781.db2.gz MAJPZCUSUKHODY-IKGGRYGDSA-N 2 0 289.423 1.815 10 0 CDAERP C(CC[NH+]1CCOCC1)C[NH2+][C@H]1CCCSCC1 ZINC000657839714 413053511 /nfs/dbraw/zinc/05/35/11/413053511.db2.gz ZMSZRZGOAKWJHV-AWEZNQCLSA-N 2 0 272.458 1.974 10 0 CDAERP CC[NH+](CC)Cc1ccc(C(=O)NCCC[NH3+])o1 ZINC000646584848 392581030 /nfs/dbraw/zinc/58/10/30/392581030.db2.gz GHIZODRSDBLTKV-UHFFFAOYSA-N 2 0 253.346 1.200 10 0 CDAERP CC[C@@H]1C[C@H]1C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000448852979 392547360 /nfs/dbraw/zinc/54/73/60/392547360.db2.gz MXNKYNMUSMSKIM-BZUAXINKSA-N 2 0 295.471 1.907 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)[C@H]1CCCCCC[C@H]1[NH3+])C1CC1 ZINC000517367723 392879035 /nfs/dbraw/zinc/87/90/35/392879035.db2.gz RBZMKWXRJQDJFX-RRFJBIMHSA-N 2 0 281.444 1.741 10 0 CDAERP COCC[N@H+](C)C[C@H](O)CN(C)Cc1ccc(F)cc1C ZINC000521639349 393035527 /nfs/dbraw/zinc/03/55/27/393035527.db2.gz HFCBZIUWBYVHQA-INIZCTEOSA-N 2 0 298.402 1.505 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC2CC[NH2+]CC2)[C@H](C)C1 ZINC000521842629 393073990 /nfs/dbraw/zinc/07/39/90/393073990.db2.gz BZTOMNPOOCWIDD-HIFRSBDPSA-N 2 0 296.459 1.358 10 0 CDAERP C[NH+]1CCC(C)(C[NH2+]Cc2cn3cccnc3n2)CC1 ZINC000459455368 393172111 /nfs/dbraw/zinc/17/21/11/393172111.db2.gz CXLSTKYDHGJODI-UHFFFAOYSA-N 2 0 273.384 1.551 10 0 CDAERP CC[C@H]1CCCCN1CC[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000495079710 393172869 /nfs/dbraw/zinc/17/28/69/393172869.db2.gz OYUWOCBRIDRLGV-UONOGXRCSA-N 2 0 281.444 1.898 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2C[C@H](C)[C@@H]2C)CC1 ZINC000494923095 393130837 /nfs/dbraw/zinc/13/08/37/393130837.db2.gz MMWRBGCCNRYVSL-LJISPDSOSA-N 2 0 253.434 1.647 10 0 CDAERP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cc2cnccc2o1 ZINC000657887454 413072221 /nfs/dbraw/zinc/07/22/21/413072221.db2.gz MEKOOCVZCBRPDB-LBPRGKRZSA-N 2 0 289.379 1.935 10 0 CDAERP C[C@@H](CC(=O)N(C[C@H]1CCC[NH2+]1)C1CC1)C1CC[NH2+]CC1 ZINC000186527700 140062885 /nfs/dbraw/zinc/06/28/85/140062885.db2.gz PRIGHSGHJZNKHM-DZGCQCFKSA-N 2 0 293.455 1.755 10 0 CDAERP [NH3+]CCCCCCC(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186551285 140064202 /nfs/dbraw/zinc/06/42/02/140064202.db2.gz JWMRXSNCGXNYRN-CYBMUJFWSA-N 2 0 267.417 1.639 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCOc1ccccc1 ZINC000234785083 140231700 /nfs/dbraw/zinc/23/17/00/140231700.db2.gz VCVOSQYITGPWBH-ZDUSSCGKSA-N 2 0 252.358 1.409 10 0 CDAERP [NH3+][C@@H]1CN(C(=O)[C@H]2CCC[C@@H]2[NH3+])C[C@H]1c1ccccc1 ZINC000261734427 140382599 /nfs/dbraw/zinc/38/25/99/140382599.db2.gz MEFNGGXXOITKTE-ZQDZILKHSA-N 2 0 273.380 1.067 10 0 CDAERP C[NH+](C)C1(CN[C@H]2CCC[NH2+]CC2)CCCCC1 ZINC000128875321 289061581 /nfs/dbraw/zinc/06/15/81/289061581.db2.gz NHOGBLPLUQEFBX-AWEZNQCLSA-N 2 0 253.434 1.983 10 0 CDAERP c1cc(CN2CCSCC2)n(-c2cc[nH+]cc2)n1 ZINC000667494815 483317063 /nfs/dbraw/zinc/31/70/63/483317063.db2.gz MVBHNQCDVLREJI-UHFFFAOYSA-N 2 0 260.366 1.816 10 0 CDAERP COCC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000656201686 413103072 /nfs/dbraw/zinc/10/30/72/413103072.db2.gz XJZFNKNXOJMHKR-BFHYXJOUSA-N 2 0 252.402 1.923 10 0 CDAERP C[NH+](C)[C@H]1CCCN(CCO[C@H]2CC2(F)F)CC1 ZINC000660416198 413110465 /nfs/dbraw/zinc/11/04/65/413110465.db2.gz OOCGUHCEBIGXQU-RYUDHWBXSA-N 2 0 262.344 1.827 10 0 CDAERP C[NH+](C)[C@@H]1CCCN(CCO[C@@H]2CC2(F)F)CC1 ZINC000660416199 413110680 /nfs/dbraw/zinc/11/06/80/413110680.db2.gz OOCGUHCEBIGXQU-VXGBXAGGSA-N 2 0 262.344 1.827 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657972079 413114463 /nfs/dbraw/zinc/11/44/63/413114463.db2.gz DNTIHDZQTJOSQE-AWEZNQCLSA-N 2 0 270.417 1.646 10 0 CDAERP C[C@@H]1CN(C(=O)c2cccc3c2C[NH2+]C3)C[C@@]1(C)C[NH3+] ZINC000662572888 413140587 /nfs/dbraw/zinc/14/05/87/413140587.db2.gz DTLAYNGSXXTWDZ-BDJLRTHQSA-N 2 0 273.380 1.347 10 0 CDAERP O[C@H](CC[NH2+]C1CCN([C@H]2CCOC2)CC1)C(F)(F)F ZINC000656262153 413144505 /nfs/dbraw/zinc/14/45/05/413144505.db2.gz PKWPWWXIDZMDPZ-NWDGAFQWSA-N 2 0 296.333 1.143 10 0 CDAERP C(C[N@@H+]1CCC[C@@H]2COCC[C@@H]21)[C@@H]1CCC[NH2+]C1 ZINC000420303819 397697890 /nfs/dbraw/zinc/69/78/90/397697890.db2.gz NPBMSIGAFYJQCQ-ZNMIVQPWSA-N 2 0 252.402 1.877 10 0 CDAERP C(C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)OCC1CC1 ZINC000420404344 397702685 /nfs/dbraw/zinc/70/26/85/397702685.db2.gz RWSUGHONFZZKPI-CABCVRRESA-N 2 0 252.402 1.877 10 0 CDAERP FC1(F)CCCC[C@H]1C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000381603780 397744672 /nfs/dbraw/zinc/74/46/72/397744672.db2.gz NRBNHFAMUDUGNR-KBPBESRZSA-N 2 0 287.398 1.791 10 0 CDAERP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000037826028 398112178 /nfs/dbraw/zinc/11/21/78/398112178.db2.gz FIVAVFAESUVZHI-DZGCQCFKSA-N 2 0 283.460 1.939 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000097092988 147120583 /nfs/dbraw/zinc/12/05/83/147120583.db2.gz YOXASEHCAXPZNH-QWHCGFSZSA-N 2 0 253.390 1.106 10 0 CDAERP CC[C@@](C)(O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000119417072 147316822 /nfs/dbraw/zinc/31/68/22/147316822.db2.gz YJQFMEULVOWILC-OAHLLOKOSA-N 2 0 254.418 1.955 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1COC2(CCC2)C1 ZINC000658107726 413207542 /nfs/dbraw/zinc/20/75/42/413207542.db2.gz NTAROLCMELRPRS-GJZGRUSLSA-N 2 0 283.460 1.560 10 0 CDAERP C[C@H]1C[C@H](N(C)C(=O)CCCCCC[NH3+])CC[N@@H+]1C ZINC000178815306 148089489 /nfs/dbraw/zinc/08/94/89/148089489.db2.gz XKYVDVPCIWWHQV-UONOGXRCSA-N 2 0 269.433 1.837 10 0 CDAERP CN(CC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1)Cc1ccccc1 ZINC000262112880 149020842 /nfs/dbraw/zinc/02/08/42/149020842.db2.gz VSTLKGORYASLMT-OAHLLOKOSA-N 2 0 289.423 1.704 10 0 CDAERP C[C@H](CCNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+])[NH+](C)C ZINC000662633700 413231637 /nfs/dbraw/zinc/23/16/37/413231637.db2.gz OCKSOTHRVLAIFA-MCIONIFRSA-N 2 0 269.433 1.741 10 0 CDAERP C[C@@H](C(=O)NC1CCCCC1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000336129461 151294829 /nfs/dbraw/zinc/29/48/29/151294829.db2.gz MWDCRDDMSDVNNU-AWEZNQCLSA-N 2 0 293.455 1.899 10 0 CDAERP C[C@H]1C[C@@H](C[NH+]2CCC([N@H+](C)CCCO)CC2)CCO1 ZINC000352619000 155307722 /nfs/dbraw/zinc/30/77/22/155307722.db2.gz XJOQXKKQPNMJTO-GJZGRUSLSA-N 2 0 284.444 1.580 10 0 CDAERP COCC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)C(C)C ZINC001664517317 1172864371 /nfs/dbraw/zinc/86/43/71/1172864371.db2.gz XGHSPBQYJJIGFO-OAHLLOKOSA-N 2 0 299.459 1.334 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCO[C@@H]2CC2(F)F)[C@H]2CCC[C@H]21 ZINC000658169387 413262042 /nfs/dbraw/zinc/26/20/42/413262042.db2.gz DMMKZCVVJCAOLB-YVECIDJPSA-N 2 0 274.355 1.873 10 0 CDAERP CCCN(C(=O)c1cc(C(C)(C)[NH3+])no1)C1CC[NH2+]CC1 ZINC000662659699 413262884 /nfs/dbraw/zinc/26/28/84/413262884.db2.gz OKQZOHOLUSUZPG-UHFFFAOYSA-N 2 0 294.399 1.473 10 0 CDAERP C[C@@H]1CCC[N@H+](CCNC(=O)c2cc(C(C)(C)[NH3+])no2)C1 ZINC000662680553 413301698 /nfs/dbraw/zinc/30/16/98/413301698.db2.gz JGLSNAJWOLYPEL-LLVKDONJSA-N 2 0 294.399 1.330 10 0 CDAERP CCC[NH+]1CCC(NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000654459985 413312904 /nfs/dbraw/zinc/31/29/04/413312904.db2.gz IDALATYWWCVMPE-OTVXOJSOSA-N 2 0 296.459 1.500 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](O)C23CCC3)[C@H](C)C1 ZINC000658249788 413313604 /nfs/dbraw/zinc/31/36/04/413313604.db2.gz BZGYDAULDQJLQK-RQJABVFESA-N 2 0 252.402 1.610 10 0 CDAERP CCS(=O)(=O)C1(C[NH2+][C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000658299129 413344266 /nfs/dbraw/zinc/34/42/66/413344266.db2.gz MXIVGPSXFGDLLK-GFCCVEGCSA-N 2 0 288.457 1.274 10 0 CDAERP C[N@@H+]1CCC[C@H](CNC(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662701721 413343943 /nfs/dbraw/zinc/34/39/43/413343943.db2.gz UCVNFLOOBYQKDU-GFCCVEGCSA-N 2 0 265.401 1.119 10 0 CDAERP COC[C@@H](C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1)OC ZINC000660659705 413347966 /nfs/dbraw/zinc/34/79/66/413347966.db2.gz BIPSFXGCANFFGS-ZIAGYGMSSA-N 2 0 256.390 1.066 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000662730592 413394814 /nfs/dbraw/zinc/39/48/14/413394814.db2.gz KNRCPEYKSMCXEJ-SCRDCRAPSA-N 2 0 255.406 1.384 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000662730464 413395849 /nfs/dbraw/zinc/39/58/49/413395849.db2.gz GBGIIBLUMGJIRC-CABCVRRESA-N 2 0 277.412 1.956 10 0 CDAERP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)CC1([NH3+])CC1 ZINC000662745913 413421979 /nfs/dbraw/zinc/42/19/79/413421979.db2.gz PUOSFGJSHLVIEY-GFCCVEGCSA-N 2 0 253.390 1.201 10 0 CDAERP COCCC[N@@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001665469589 1173002657 /nfs/dbraw/zinc/00/26/57/1173002657.db2.gz NSJKLFBVIFFQAZ-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262371097 287223507 /nfs/dbraw/zinc/22/35/07/287223507.db2.gz LYTLIOUBFOAWOI-BYNSBNAKSA-N 2 0 279.428 1.460 10 0 CDAERP COc1cc(CC[NH3+])ccc1OCCC[NH+](C)C ZINC000011888852 170453499 /nfs/dbraw/zinc/45/34/99/170453499.db2.gz XYTDKHYTVRHIFK-UHFFFAOYSA-N 2 0 252.358 1.527 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000019438305 170800916 /nfs/dbraw/zinc/80/09/16/170800916.db2.gz NSMTZHLJPVDKBQ-QLFBSQMISA-N 2 0 281.444 1.755 10 0 CDAERP CCc1ccc([C@@H](C[NH3+])N2CCC[N@H+](C)CC2)cc1 ZINC000020217674 171079880 /nfs/dbraw/zinc/07/98/80/171079880.db2.gz JWXNRYMVXLEGHQ-MRXNPFEDSA-N 2 0 261.413 1.886 10 0 CDAERP Cc1ccc([C@H]([NH3+])CN2CCC[N@@H+](C)CC2)c(C)c1 ZINC000020260546 171116620 /nfs/dbraw/zinc/11/66/20/171116620.db2.gz GRYISOIVAQFACQ-MRXNPFEDSA-N 2 0 261.413 1.941 10 0 CDAERP C[C@@H]1C[N@H+](CCCC(=O)Nc2ccccc2C[NH3+])CCO1 ZINC000022151259 171358606 /nfs/dbraw/zinc/35/86/06/171358606.db2.gz GNKQIHLANFSXAQ-CYBMUJFWSA-N 2 0 291.395 1.585 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000653176090 412116061 /nfs/dbraw/zinc/11/60/61/412116061.db2.gz JZCZCUDXMLBYKC-MRXNPFEDSA-N 2 0 291.439 1.823 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)C1CC[NH2+]CC1 ZINC000653176198 412117436 /nfs/dbraw/zinc/11/74/36/412117436.db2.gz MUKVLWRIYPIAHQ-UHFFFAOYSA-N 2 0 255.406 1.080 10 0 CDAERP C[C@@]([NH3+])(C(=O)NCCC1(C[NH3+])CC1)c1ccccc1 ZINC000653221159 412148058 /nfs/dbraw/zinc/14/80/58/412148058.db2.gz KRTSHRPMMLPERC-AWEZNQCLSA-N 2 0 261.369 1.106 10 0 CDAERP [NH3+]C1CCC(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000130878391 413516739 /nfs/dbraw/zinc/51/67/39/413516739.db2.gz QUJCQNPEDBXMNH-CLRIEMFWSA-N 2 0 265.401 1.247 10 0 CDAERP C[C@@H]1C[C@@H](C)N(C(=O)c2cc(C(C)(C)[NH3+])no2)C[C@@H]1C[NH3+] ZINC000662817543 413539864 /nfs/dbraw/zinc/53/98/64/413539864.db2.gz IZLWDQAZOQIGDI-MXWKQRLJSA-N 2 0 294.399 1.314 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000654656448 413545448 /nfs/dbraw/zinc/54/54/48/413545448.db2.gz AFCKOTXZNFVLMF-GASCZTMLSA-N 2 0 296.459 1.310 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000654660132 413547109 /nfs/dbraw/zinc/54/71/09/413547109.db2.gz RNOUNSLYCSNREV-KFWWJZLASA-N 2 0 296.459 1.452 10 0 CDAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654659768 413549754 /nfs/dbraw/zinc/54/97/54/413549754.db2.gz KCMCSAHDHOBUGN-SOUVJXGZSA-N 2 0 296.459 1.310 10 0 CDAERP CN(C[C@H]1CCC[N@@H+]1C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654663938 413558684 /nfs/dbraw/zinc/55/86/84/413558684.db2.gz KRPFMUMIVHVIIL-MCIONIFRSA-N 2 0 282.432 1.062 10 0 CDAERP [NH3+]C[C@@H](C[N@@H+]1CCCC[C@@H]1CCO)c1ccccc1 ZINC000035731335 172381286 /nfs/dbraw/zinc/38/12/86/172381286.db2.gz IBGLUICCXCSTRP-JKSUJKDBSA-N 2 0 262.397 1.966 10 0 CDAERP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000659303762 413694895 /nfs/dbraw/zinc/69/48/95/413694895.db2.gz VHXJRYFNCGPXOJ-XUJVJEKNSA-N 2 0 273.380 1.417 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000659479657 413867949 /nfs/dbraw/zinc/86/79/49/413867949.db2.gz AXDFKROJXIOJTI-HUUCEWRRSA-N 2 0 298.475 1.924 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659494802 413885464 /nfs/dbraw/zinc/88/54/64/413885464.db2.gz WLJBNJYELOTFCL-YNEHKIRRSA-N 2 0 288.411 1.188 10 0 CDAERP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407284346 413916173 /nfs/dbraw/zinc/91/61/73/413916173.db2.gz VRXPKNGVKVZLCC-STQMWFEESA-N 2 0 267.417 1.221 10 0 CDAERP CCC[NH2+]CCNC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659525545 413925142 /nfs/dbraw/zinc/92/51/42/413925142.db2.gz VDVIQFLDWMNDOY-HNNXBMFYSA-N 2 0 296.459 1.407 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC000665274172 414011621 /nfs/dbraw/zinc/01/16/21/414011621.db2.gz LHIJTYZHNYYBMA-ZJUUUORDSA-N 2 0 250.333 1.621 10 0 CDAERP COC[C@H](CC[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1)OC ZINC000665234535 413958011 /nfs/dbraw/zinc/95/80/11/413958011.db2.gz FIRSVXVIMITLSV-ZNMIVQPWSA-N 2 0 272.433 1.938 10 0 CDAERP CS(=O)(=O)CC1(CC[NH2+][C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000665235203 413961226 /nfs/dbraw/zinc/96/12/26/413961226.db2.gz RNEUSCIDXALDKS-STQMWFEESA-N 2 0 288.457 1.308 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CC[C@@]1(C)CC1(F)F ZINC000665266840 413996547 /nfs/dbraw/zinc/99/65/47/413996547.db2.gz KQWZWSSAIXLCFS-MNOVXSKESA-N 2 0 250.333 1.765 10 0 CDAERP COc1ccnc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1F ZINC000665267391 414001718 /nfs/dbraw/zinc/00/17/18/414001718.db2.gz VTJMZLOGRDEGPO-SDDRHHMPSA-N 2 0 279.359 1.707 10 0 CDAERP C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1cnn(C)c1)C1C[NH2+]C1 ZINC000665273525 414004866 /nfs/dbraw/zinc/00/48/66/414004866.db2.gz YPFYPKZDLBKELJ-WHOFXGATSA-N 2 0 262.401 1.329 10 0 CDAERP C[C@H](NCC(C)(C)C[NH+](C)C)[C@@H]1CCC[N@H+](C)C1 ZINC000037209218 173030590 /nfs/dbraw/zinc/03/05/90/173030590.db2.gz LGCCSDYLKGJDBC-UONOGXRCSA-N 2 0 255.450 1.894 10 0 CDAERP Cc1nccn1CCCCN1CC[C@H](O)C(F)(F)C1 ZINC000661408634 414066401 /nfs/dbraw/zinc/06/64/01/414066401.db2.gz LMWLTKHCOZZHOU-LBPRGKRZSA-N 2 0 273.327 1.674 10 0 CDAERP COC[C@@H](C)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657331867 414179651 /nfs/dbraw/zinc/17/96/51/414179651.db2.gz SCVXRBCLYUOAPK-LBPRGKRZSA-N 2 0 260.341 1.639 10 0 CDAERP CC[C@@H]1C[C@H]([NH2+]C[C@@H](C)CN2CC[NH+](CC)CC2)CO1 ZINC000657347894 414207230 /nfs/dbraw/zinc/20/72/30/414207230.db2.gz YBUJADLKRYEYJV-OWCLPIDISA-N 2 0 283.460 1.417 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@]2(C1)CCCOC2 ZINC000660497695 414281822 /nfs/dbraw/zinc/28/18/22/414281822.db2.gz ZXYPIOUDSUMIQH-LSDHHAIUSA-N 2 0 270.417 1.190 10 0 CDAERP C[C@H](CCC[NH3+])[NH2+]Cc1nc2c(s1)C[NH2+]CC2 ZINC000663496982 414292457 /nfs/dbraw/zinc/29/24/57/414292457.db2.gz KCNCIJSENCPIEW-SECBINFHSA-N 3 0 254.403 1.006 10 0 CDAERP C[C@H]([NH3+])[C@@H]1CCCN(Cc2nc3c(s2)C[NH2+]CC3)C1 ZINC000663494986 414293229 /nfs/dbraw/zinc/29/32/29/414293229.db2.gz MLCNVYLOSMAHRT-WDEREUQCSA-N 2 0 280.441 1.348 10 0 CDAERP Cc1occc1CNC(=O)NCCN(C)CCC[NH+](C)C ZINC000663779314 414458070 /nfs/dbraw/zinc/45/80/70/414458070.db2.gz KYSAJRGDFJPPFM-UHFFFAOYSA-N 2 0 296.415 1.271 10 0 CDAERP Cc1ncsc1C[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662260947 414597768 /nfs/dbraw/zinc/59/77/68/414597768.db2.gz DEZCTRSKABOVBT-NSHDSACASA-N 2 0 267.398 1.404 10 0 CDAERP Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]C[C@H]2CC[NH2+]C2)cn1 ZINC000662312688 414634169 /nfs/dbraw/zinc/63/41/69/414634169.db2.gz YYTWHWXDHQREGG-AEGPPILISA-N 2 0 262.401 1.330 10 0 CDAERP C[NH+](C)CCC[C@H]1C[N@H+](C[C@H]2CCCO2)CCO1 ZINC000662318666 414635800 /nfs/dbraw/zinc/63/58/00/414635800.db2.gz DDSSOXCTWSQGDP-UONOGXRCSA-N 2 0 256.390 1.208 10 0 CDAERP CCCCNC(=O)CC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319740 414637015 /nfs/dbraw/zinc/63/70/15/414637015.db2.gz LSWAJSWCOXGZIR-HNNXBMFYSA-N 2 0 299.459 1.335 10 0 CDAERP Cc1cccc(C[N@@H+]2CCC[C@H]2C(=O)N2CC[NH2+]CC2)c1 ZINC000040508051 174302951 /nfs/dbraw/zinc/30/29/51/174302951.db2.gz DYEANVHOACIGBA-INIZCTEOSA-N 2 0 287.407 1.391 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)C2CCC([NH3+])CC2)C1 ZINC000040624342 174356251 /nfs/dbraw/zinc/35/62/51/174356251.db2.gz KDXYMMRYAQZWTK-HSBZDZAISA-N 2 0 267.417 1.350 10 0 CDAERP C[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000040717014 174384705 /nfs/dbraw/zinc/38/47/05/174384705.db2.gz OCEFCLSJUDZKMQ-GFCCVEGCSA-N 2 0 261.369 1.816 10 0 CDAERP CCC[N@H+](CCn1ccnc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748628 174393893 /nfs/dbraw/zinc/39/38/93/174393893.db2.gz AVYBZGZAMPRGPN-YIONKMFJSA-N 2 0 262.401 1.878 10 0 CDAERP C[C@H]([NH3+])[C@H](c1ccco1)N1CCC([NH+](C)C)CC1 ZINC000043335164 175011279 /nfs/dbraw/zinc/01/12/79/175011279.db2.gz ANXAODBYLLHDJR-SMDDNHRTSA-N 2 0 251.374 1.694 10 0 CDAERP CCC[NH+]1CCN([C@H](c2ccccn2)[C@H]([NH3+])CC)CC1 ZINC000043338835 175013166 /nfs/dbraw/zinc/01/31/66/175013166.db2.gz FBFSOXGEHGRCBR-ZBFHGGJFSA-N 2 0 276.428 1.888 10 0 CDAERP CC[C@H]([NH3+])[C@@H](c1ccccn1)N1CC[NH+](C(C)C)CC1 ZINC000043339417 175013946 /nfs/dbraw/zinc/01/39/46/175013946.db2.gz FMTZUFHVIGOBLN-HOCLYGCPSA-N 2 0 276.428 1.886 10 0 CDAERP C[C@H]([NH3+])[C@@H](c1ccccn1)N1CCC(C[NH+](C)C)CC1 ZINC000043340465 175014728 /nfs/dbraw/zinc/01/47/28/175014728.db2.gz RDUMOKULZFGLCC-BBRMVZONSA-N 2 0 276.428 1.744 10 0 CDAERP CC(C)[NH+]1CCN([C@@H](c2ccncc2)[C@@H](C)[NH3+])CC1 ZINC000043353677 175020843 /nfs/dbraw/zinc/02/08/43/175020843.db2.gz CHWBOXVCMFCUCG-UKRRQHHQSA-N 2 0 262.401 1.496 10 0 CDAERP CC[C@H]([NH3+])[C@H](N1CCC(C[NH+](C)C)CC1)C(F)(F)F ZINC000043378699 175030734 /nfs/dbraw/zinc/03/07/34/175030734.db2.gz CAXNUMYWXJPORU-RYUDHWBXSA-N 2 0 281.366 1.928 10 0 CDAERP C[NH+]1CCC(OC(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000043414050 175037967 /nfs/dbraw/zinc/03/79/67/175037967.db2.gz LMEXMZQUXNYZNA-UHFFFAOYSA-N 2 0 268.401 1.923 10 0 CDAERP CC[NH+]1CCC(C[NH3+])(N2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000043424937 175039975 /nfs/dbraw/zinc/03/99/75/175039975.db2.gz HRPYKFHNWZOSSZ-LSDHHAIUSA-N 2 0 281.444 1.443 10 0 CDAERP C[C@@H](C(=O)NC1CC[NH2+]CC1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000043559873 175065875 /nfs/dbraw/zinc/06/58/75/175065875.db2.gz JRGXVEGQYHFSHW-SRVKXCTJSA-N 2 0 253.390 1.116 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000043588431 175072713 /nfs/dbraw/zinc/07/27/13/175072713.db2.gz JHWDQLFNHVJBMF-LSDHHAIUSA-N 2 0 283.460 1.859 10 0 CDAERP c1ccc2c(c1)CC[NH2+][C@H]2CN1CC[NH+](CC2CC2)CC1 ZINC000043596214 175076965 /nfs/dbraw/zinc/07/69/65/175076965.db2.gz DRRIHLWVMKOYGP-SFHVURJKSA-N 2 0 285.435 1.901 10 0 CDAERP CC[NH+]1CCN([C@H]2CCc3ccccc3[C@@H]2[NH2+]C)CC1 ZINC000043805915 175108394 /nfs/dbraw/zinc/10/83/94/175108394.db2.gz VEAVBRSFQUHNSB-IRXDYDNUSA-N 2 0 273.424 1.899 10 0 CDAERP C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccc(OC)c(OC)c1 ZINC000043810556 175109822 /nfs/dbraw/zinc/10/98/22/175109822.db2.gz NPLGVRIHSPZGLI-AWEZNQCLSA-N 2 0 293.411 1.212 10 0 CDAERP CC[NH2+][C@H](CN1CCC[N@H+](C)CC1)c1ccccc1 ZINC000043818298 175112996 /nfs/dbraw/zinc/11/29/96/175112996.db2.gz YMNVKMIKCHTJFL-MRXNPFEDSA-N 2 0 261.413 1.975 10 0 CDAERP C[NH2+][C@H]1c2ccccc2C[C@H]1N1CCC[N@H+](C)CC1 ZINC000043818120 175113010 /nfs/dbraw/zinc/11/30/10/175113010.db2.gz QICSWRWONOCFLE-CVEARBPZSA-N 2 0 259.397 1.509 10 0 CDAERP CC[NH2+][C@@H]1CCCC[C@@H]1N1CC[NH+](C(C)C)CC1 ZINC000043897113 175119815 /nfs/dbraw/zinc/11/98/15/175119815.db2.gz CCVYXJRVABKVSA-CABCVRRESA-N 2 0 253.434 1.933 10 0 CDAERP C[NH2+][C@@H]1CCOC[C@@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000043907771 175123171 /nfs/dbraw/zinc/12/31/71/175123171.db2.gz DJSCRPAOXNIBPP-CVEARBPZSA-N 2 0 281.444 1.314 10 0 CDAERP CCC[NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000044295047 175161115 /nfs/dbraw/zinc/16/11/15/175161115.db2.gz HNIUNKAFLWKQFJ-AWEZNQCLSA-N 2 0 263.385 1.405 10 0 CDAERP CC[NH+]1CCC(C[NH2+][C@@H]2CN3CCC2CC3)CC1 ZINC000044517658 175190588 /nfs/dbraw/zinc/19/05/88/175190588.db2.gz BSVCHRSNJKSTDL-OAHLLOKOSA-N 2 0 251.418 1.402 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@H]2CCC[C@H](C)[NH2+]2)CC1 ZINC000044526946 175192066 /nfs/dbraw/zinc/19/20/66/175192066.db2.gz ZSQUECAVFSBFMF-GXTWGEPZSA-N 2 0 267.417 1.365 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)C2(C[NH3+])CCCC2)CC1 ZINC000044764201 175248200 /nfs/dbraw/zinc/24/82/00/175248200.db2.gz GTJSCTHOIDHTBE-UHFFFAOYSA-N 2 0 267.417 1.448 10 0 CDAERP COCC[C@@](C)(C[NH3+])N(Cc1ccco1)C1CC1 ZINC000045043650 175295478 /nfs/dbraw/zinc/29/54/78/175295478.db2.gz YWQJQJWRRFWWND-AWEZNQCLSA-N 2 0 252.358 1.998 10 0 CDAERP CCC[NH2+][C@@](C)(CCCC[N@@H+]1CCOC[C@@H]1C)C(N)=O ZINC000045389528 175373708 /nfs/dbraw/zinc/37/37/08/175373708.db2.gz ZSQWWLGANAUUGM-ZFWWWQNUSA-N 2 0 285.432 1.121 10 0 CDAERP CCC[NH2+][C@@](C)(CCC[N@H+](CCC)C1CC1)C(N)=O ZINC000045387633 175373768 /nfs/dbraw/zinc/37/37/68/175373768.db2.gz LYQFJOZYTZCXDE-HNNXBMFYSA-N 2 0 269.433 1.885 10 0 CDAERP CC(C)[NH2+][C@](C)(CCCC[N@H+](C)C1CCOCC1)C(N)=O ZINC000045394955 175376520 /nfs/dbraw/zinc/37/65/20/175376520.db2.gz CYHVOBWTDTYQGO-MRXNPFEDSA-N 2 0 299.459 1.510 10 0 CDAERP CC(C)[C@@H]1C[C@@](C[NH3+])(N(C)CC[NH+]2CCCC2)CCO1 ZINC000070366382 175895991 /nfs/dbraw/zinc/89/59/91/175895991.db2.gz ZSRNUUXEHDWJKT-HOTGVXAUSA-N 2 0 283.460 1.547 10 0 CDAERP CC1(C)C[C@@](C[NH3+])(N2CC[C@H]([NH+]3CCCC3)C2)CCO1 ZINC000070366334 175896343 /nfs/dbraw/zinc/89/63/43/175896343.db2.gz XPMBBJVVTCQUCX-HOCLYGCPSA-N 2 0 281.444 1.443 10 0 CDAERP C[C@@](CO)(CCCC[N@@H+]1CCOCC1(C)C)[NH2+]C1CC1 ZINC000070514613 175963602 /nfs/dbraw/zinc/96/36/02/175963602.db2.gz KXQIPNOJHRSQAZ-INIZCTEOSA-N 2 0 284.444 1.771 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)N1CC[C@@H]([NH2+]C2CC2)C1=O ZINC000071031982 176023275 /nfs/dbraw/zinc/02/32/75/176023275.db2.gz NUPIQNVPPAYNLI-ZIAGYGMSSA-N 2 0 267.417 1.316 10 0 CDAERP CC(C)[NH2+][C@@H]1CCN(C[C@@H]2CCCC[N@@H+]2C)C1=O ZINC000071033641 176024250 /nfs/dbraw/zinc/02/42/50/176024250.db2.gz JTPOIIUMWIZGLL-QWHCGFSZSA-N 2 0 253.390 1.070 10 0 CDAERP CC[NH+](CC)C[C@@H](C)N1CC[C@H]([NH2+]C(C)C)C1=O ZINC000071034703 176024779 /nfs/dbraw/zinc/02/47/79/176024779.db2.gz UTAIMKCHNAXIQZ-OLZOCXBDSA-N 2 0 255.406 1.316 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)N1CCC[C@@H]([NH2+]C2CC2)C1=O ZINC000071037397 176025842 /nfs/dbraw/zinc/02/58/42/176025842.db2.gz BQBRNRMIMLXXQE-DZGCQCFKSA-N 2 0 279.428 1.604 10 0 CDAERP CC[NH2+][C@H]1CCN([C@H](C)C[NH+]2CCCCC2)C1=O ZINC000071037378 176026007 /nfs/dbraw/zinc/02/60/07/176026007.db2.gz MVOJYDNEKUGEPG-OLZOCXBDSA-N 2 0 253.390 1.071 10 0 CDAERP CCC[NH2+][C@@H]1CCCN(C2CC[NH+](C)CC2)C1=O ZINC000071039796 176027039 /nfs/dbraw/zinc/02/70/39/176027039.db2.gz AAICEOVTBURNOJ-CYBMUJFWSA-N 2 0 253.390 1.071 10 0 CDAERP CC[C@@H]1CCC[C@](C[NH3+])(N2CCN(CC[NH+](C)C)CC2)C1 ZINC000071124622 176034954 /nfs/dbraw/zinc/03/49/54/176034954.db2.gz LGUBQUHSKYGNPN-SJORKVTESA-N 2 0 296.503 1.463 10 0 CDAERP [NH3+]Cc1cnc(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000071178504 176055798 /nfs/dbraw/zinc/05/57/98/176055798.db2.gz JSPOQXMXZRCAAL-OAHLLOKOSA-N 2 0 284.363 1.589 10 0 CDAERP CN1CC[C@@H]([N@H+](CCC[NH3+])C2CCCCCC2)C1=O ZINC000071183291 176058653 /nfs/dbraw/zinc/05/86/53/176058653.db2.gz WGXUTXIXEULAQN-CQSZACIVSA-N 2 0 267.417 1.591 10 0 CDAERP CC[C@@H]([NH3+])[C@H](c1cnn(C)c1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071187901 176061245 /nfs/dbraw/zinc/06/12/45/176061245.db2.gz WROONWOMZIKMNU-YUELXQCFSA-N 2 0 279.432 1.082 10 0 CDAERP C[NH2+][C@@H](CN(C)C[C@@H]1CC[N@H+](C)C1)c1ccccc1OC ZINC000071188998 176064142 /nfs/dbraw/zinc/06/41/42/176064142.db2.gz TXFZXWWQHQYIEX-ZBFHGGJFSA-N 2 0 291.439 1.839 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000071189700 176065561 /nfs/dbraw/zinc/06/55/61/176065561.db2.gz DMVHIIDINNKLJJ-QPSCCSFWSA-N 2 0 279.428 1.317 10 0 CDAERP CCC[C@]1(C(=O)N(C)C[C@H]2CC[N@H+](C)C2)CC[NH2+]C1 ZINC000071189625 176065920 /nfs/dbraw/zinc/06/59/20/176065920.db2.gz DMZBJJGGRMIZBF-ZFWWWQNUSA-N 2 0 267.417 1.176 10 0 CDAERP CC[C@]1(CN(C)C[C@@H]2CC[N@H+](C)C2)CCC[NH2+]C1 ZINC000071190940 176068254 /nfs/dbraw/zinc/06/82/54/176068254.db2.gz CTPCKGNRHWNJQU-CABCVRRESA-N 2 0 253.434 1.650 10 0 CDAERP C[C@@H]1CCC[C@H](C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)[C@@H]1[NH3+] ZINC000071193273 176075158 /nfs/dbraw/zinc/07/51/58/176075158.db2.gz HTZZBZSDOYZENR-YIYPIFLZSA-N 2 0 267.417 1.160 10 0 CDAERP CC(C)C[NH2+]CC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000071196441 176076110 /nfs/dbraw/zinc/07/61/10/176076110.db2.gz GBPZCMFHQHXNAD-CQSZACIVSA-N 2 0 267.417 1.175 10 0 CDAERP CCC[C@H](C[NH3+])C(=O)NCC[N@H+](C)C1CCCC1 ZINC000071377514 176142600 /nfs/dbraw/zinc/14/26/00/176142600.db2.gz YCZDOTKJCOPRJA-GFCCVEGCSA-N 2 0 255.406 1.352 10 0 CDAERP Cc1cc2ncc(C[NH+](C)C)c(C3CC[NH+](C)CC3)n2n1 ZINC000072354954 176375310 /nfs/dbraw/zinc/37/53/10/176375310.db2.gz RDLRVMDCFOACDV-UHFFFAOYSA-N 2 0 287.411 1.909 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000417541115 287390613 /nfs/dbraw/zinc/39/06/13/287390613.db2.gz XZAFTVAKETZHMT-BZPMIXESSA-N 2 0 282.432 1.286 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCF ZINC001666432788 1173135941 /nfs/dbraw/zinc/13/59/41/1173135941.db2.gz DIINMBNGYKQQME-CHWSQXEVSA-N 2 0 271.380 1.021 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+]C/C=C/Cl ZINC001666611278 1173154969 /nfs/dbraw/zinc/15/49/69/1173154969.db2.gz SXSBGBRIJFXTMK-MALLOTDXSA-N 2 0 261.797 1.033 10 0 CDAERP c1ccc(C[N@H+]2CCC[C@@H]2CN[C@@H]2CC[NH2+]C2)cc1 ZINC000390581796 262222806 /nfs/dbraw/zinc/22/28/06/262222806.db2.gz JGEJVEKILAQMEN-HZPDHXFCSA-N 2 0 259.397 1.603 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000653260166 423826483 /nfs/dbraw/zinc/82/64/83/423826483.db2.gz DBXZDCFOTHYRIS-RBSFLKMASA-N 2 0 297.443 1.216 10 0 CDAERP Clc1ccccc1[C@H]1C[NH2+]CCN1C[C@@H]1C[NH2+]CCO1 ZINC000662272859 423828482 /nfs/dbraw/zinc/82/84/82/423828482.db2.gz RGQPQNAEKGKFIP-SWLSCSKDSA-N 2 0 295.814 1.275 10 0 CDAERP COC[C@H](C[N@H+](CCC[NH3+])CC1CCCC1)OC ZINC000662273541 423832639 /nfs/dbraw/zinc/83/26/39/423832639.db2.gz OEOSGSHUTCMYFJ-AWEZNQCLSA-N 2 0 258.406 1.489 10 0 CDAERP C(N[C@H]1CC[NH2+]C12CCCC2)c1nc2c(s1)C[NH2+]CC2 ZINC000663495637 423890596 /nfs/dbraw/zinc/89/05/96/423890596.db2.gz AAESHKURBZBXME-ZDUSSCGKSA-N 2 0 292.452 1.553 10 0 CDAERP Cn1cncc1CCC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662326130 423958765 /nfs/dbraw/zinc/95/87/65/423958765.db2.gz OKUPTUPGYAGZEY-MRXNPFEDSA-N 2 0 294.443 1.395 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)NCCC1(C[NH3+])CC1 ZINC000652230986 424104107 /nfs/dbraw/zinc/10/41/07/424104107.db2.gz GNQGDTUPTNVGNU-UHFFFAOYSA-N 2 0 290.411 1.334 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655515360 424160078 /nfs/dbraw/zinc/16/00/78/424160078.db2.gz ZBEWHSMKVNBVGF-JTQLQIEISA-N 2 0 281.322 1.113 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000659554305 424097929 /nfs/dbraw/zinc/09/79/29/424097929.db2.gz GJFOAYLAANBRLX-REWJHTLYSA-N 2 0 282.432 1.047 10 0 CDAERP C[C@H](C[NH2+]C[C@]1(C)CCCS1)CN1CC[NH+](C)CC1 ZINC000628213361 424186670 /nfs/dbraw/zinc/18/66/70/424186670.db2.gz IDYVQKAREBLKNI-CABCVRRESA-N 2 0 285.501 1.745 10 0 CDAERP C[C@]12COC[C@H]1C[N@H+](CCC[NH+]1C[C@H]3COC[C@]3(C)C1)C2 ZINC000661697370 424165973 /nfs/dbraw/zinc/16/59/73/424165973.db2.gz BHMPEROXDUZWMN-YVSFHVDLSA-N 2 0 294.439 1.313 10 0 CDAERP C[NH2+]C[C@](C)(O)C[N@@H+]1CCc2ccccc2[C@@H](C)C1 ZINC000652358763 424311441 /nfs/dbraw/zinc/31/14/41/424311441.db2.gz ZBUOWKPMBXGYGO-BBRMVZONSA-N 2 0 262.397 1.619 10 0 CDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000309703385 424328667 /nfs/dbraw/zinc/32/86/67/424328667.db2.gz GWHXMURMRKJOHD-FMKPAKJESA-N 2 0 289.423 1.621 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655467858 424404457 /nfs/dbraw/zinc/40/44/57/424404457.db2.gz NYJNAUGVVVEXLG-UMPYDWHISA-N 2 0 293.455 1.613 10 0 CDAERP C[C@H]1CC[C@@H]([NH2+]CCCN2CC[NH+](C)CC2)CS1 ZINC000655693655 424407249 /nfs/dbraw/zinc/40/72/49/424407249.db2.gz GHTMGWZLTSNJEF-UONOGXRCSA-N 2 0 271.474 1.498 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2CC[NH3+])C1 ZINC000070542031 424417964 /nfs/dbraw/zinc/41/79/64/424417964.db2.gz YTMMCTFCVSRXNN-CYBMUJFWSA-N 2 0 261.369 1.012 10 0 CDAERP C[C@H](C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@H]([NH3+])c1ccccc1 ZINC000655488984 424504954 /nfs/dbraw/zinc/50/49/54/424504954.db2.gz KOTDSRKBXFPVBB-UGQVUOCMSA-N 2 0 289.423 1.779 10 0 CDAERP CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H](C)[NH3+] ZINC000655489625 424506194 /nfs/dbraw/zinc/50/61/94/424506194.db2.gz WVHMZSGKNBFMSH-FVCCEPFGSA-N 2 0 255.406 1.062 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[C@]2(C)[NH3+])C1 ZINC000655488749 424508695 /nfs/dbraw/zinc/50/86/95/424508695.db2.gz FXVZSKAOMXKNEI-COMQUAJESA-N 2 0 267.417 1.350 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000071401033 424554371 /nfs/dbraw/zinc/55/43/71/424554371.db2.gz DRSYCJNYRGNSGI-GJZGRUSLSA-N 2 0 275.396 1.677 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000250217607 270305804 /nfs/dbraw/zinc/30/58/04/270305804.db2.gz DIYNTUDMVBYWJK-OAGGEKHMSA-N 2 0 293.455 1.755 10 0 CDAERP CC(C)[NH+]1CCN(CCC[NH2+][C@H]2[C@@H](C)O[C@@H](C)[C@@H]2C)CC1 ZINC000528761572 270870973 /nfs/dbraw/zinc/87/09/73/270870973.db2.gz ZDTXSJUVBAZOSI-MWDXBVQZSA-N 2 0 297.487 1.804 10 0 CDAERP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[NH3+])C(=O)N1CCCC1 ZINC000530221524 271163703 /nfs/dbraw/zinc/16/37/03/271163703.db2.gz FSBRAYCBXUVKMJ-NWDGAFQWSA-N 2 0 253.390 1.104 10 0 CDAERP COc1cccc(C[C@H](C)[NH2+][C@H]2CC[NH2+]C[C@H]2C)n1 ZINC000414945486 274147519 /nfs/dbraw/zinc/14/75/19/274147519.db2.gz RRXMQVDFEBZVFT-DYEKYZERSA-N 2 0 263.385 1.609 10 0 CDAERP CC(C)=CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001667999091 1173354250 /nfs/dbraw/zinc/35/42/50/1173354250.db2.gz IYIWJQGUWSXGKV-KGLIPLIRSA-N 2 0 267.417 1.531 10 0 CDAERP CC1CCC([NH+]2CCN(C(=O)[C@H]3CC[C@H]([NH3+])C3)CC2)CC1 ZINC000236788918 275930304 /nfs/dbraw/zinc/93/03/04/275930304.db2.gz WJFFOCRZDPJTFN-PYBGIAKNSA-N 2 0 293.455 1.837 10 0 CDAERP CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H](C)C2C[NH2+]C2)c1 ZINC000262409595 276075957 /nfs/dbraw/zinc/07/59/57/276075957.db2.gz QKYSWBDVMIDSER-ZDUSSCGKSA-N 2 0 289.423 1.610 10 0 CDAERP CCCC[C@@H](C[NH3+])NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000418438914 276239950 /nfs/dbraw/zinc/23/99/50/276239950.db2.gz FIJSWIJDBATIQR-RWMBFGLXSA-N 2 0 268.405 1.040 10 0 CDAERP C(C[NH+]1CCCCCC1)N[C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422801430 276805436 /nfs/dbraw/zinc/80/54/36/276805436.db2.gz BXGCVYWWKQPBSK-CVEARBPZSA-N 2 0 281.444 1.219 10 0 CDAERP CC(C)([NH3+])CC(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000378188302 277306118 /nfs/dbraw/zinc/30/61/18/277306118.db2.gz RGYRXQCCTQAOFY-UHFFFAOYSA-N 2 0 261.369 1.552 10 0 CDAERP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCC(=O)NC2(C)C)CC1 ZINC000338777288 277386338 /nfs/dbraw/zinc/38/63/38/277386338.db2.gz YVUFDAAPCGYBEF-CQSZACIVSA-N 2 0 281.444 1.754 10 0 CDAERP C[C@H](CC[NH2+]CC1CCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001668309933 1173394722 /nfs/dbraw/zinc/39/47/22/1173394722.db2.gz OOMFXHZDNTZLFK-TZMCWYRMSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)(C)[NH+]1CCC(NC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000037770548 278341258 /nfs/dbraw/zinc/34/12/58/278341258.db2.gz DPDPQIBAKUYKAI-LBPRGKRZSA-N 2 0 253.390 1.118 10 0 CDAERP CCC[C@@H](C(=O)NCC1(C[NH+](C)C)CCCC1)[NH+](C)C ZINC000185899331 278855223 /nfs/dbraw/zinc/85/52/23/278855223.db2.gz XYBFDETUPBPSBK-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP CC[N@H+](C)CCNC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000166289436 279029363 /nfs/dbraw/zinc/02/93/63/279029363.db2.gz JGPWIIXNYOGJGR-GFCCVEGCSA-N 2 0 255.406 1.080 10 0 CDAERP CC[NH+](CC)CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000073416857 279106324 /nfs/dbraw/zinc/10/63/24/279106324.db2.gz HHJQNCKURNXRSX-GOOCMWNKSA-N 2 0 296.459 1.643 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H]1[NH2+]CCCC1(C)C)C1CC1 ZINC000219908652 279203904 /nfs/dbraw/zinc/20/39/04/279203904.db2.gz JMZVHBVFUSJXPX-ZDUSSCGKSA-N 2 0 267.417 1.365 10 0 CDAERP CC[NH+]1CCC(N2CCC[N@H+](CC[C@@H](C)O)CC2)CC1 ZINC000425477492 279258621 /nfs/dbraw/zinc/25/86/21/279258621.db2.gz OHANJMBKPRUMJG-OAHLLOKOSA-N 2 0 283.460 1.249 10 0 CDAERP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC000129986475 279395433 /nfs/dbraw/zinc/39/54/33/279395433.db2.gz ALHKOMPDAYZXJZ-QWHCGFSZSA-N 2 0 255.406 1.031 10 0 CDAERP [NH3+]CCCCCCC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000377587055 279625281 /nfs/dbraw/zinc/62/52/81/279625281.db2.gz LSXDUANRQHTLNX-OAHLLOKOSA-N 2 0 267.417 1.498 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000220943178 280093369 /nfs/dbraw/zinc/09/33/69/280093369.db2.gz MPROGKCBYXHLNT-GXTWGEPZSA-N 2 0 253.390 1.071 10 0 CDAERP CC[C@@H](c1ccc(O)cc1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031064 280216904 /nfs/dbraw/zinc/21/69/04/280216904.db2.gz UXTRUULHIDBLSU-HNNXBMFYSA-N 2 0 291.395 1.207 10 0 CDAERP CC[NH+](CC)CC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247391063 280331492 /nfs/dbraw/zinc/33/14/92/280331492.db2.gz GQKWXIKOQGXSLZ-STQMWFEESA-N 2 0 255.406 1.269 10 0 CDAERP CC[C@@H]1CN(c2cc[nH+]cc2C)CC[N@@H+]1C[C@H](C)O ZINC000248654150 280371106 /nfs/dbraw/zinc/37/11/06/280371106.db2.gz CJKHNZDMYNDJQX-UONOGXRCSA-N 2 0 263.385 1.671 10 0 CDAERP CCCCOC[C@H](O)C[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000248658550 280372068 /nfs/dbraw/zinc/37/20/68/280372068.db2.gz UIEMUVSYPWDZDR-XHSDSOJGSA-N 2 0 286.460 1.826 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000524039808 281102611 /nfs/dbraw/zinc/10/26/11/281102611.db2.gz UBAVTOLYXDZNJX-HUUCEWRRSA-N 2 0 279.428 1.558 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C1CC[NH2+]CC1 ZINC000251900642 288295769 /nfs/dbraw/zinc/29/57/69/288295769.db2.gz WIZKGRFRFHGVNU-OCCSQVGLSA-N 2 0 265.401 1.071 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000261572538 288301626 /nfs/dbraw/zinc/30/16/26/288301626.db2.gz AGOHULVABJGGMD-HZSPNIEDSA-N 2 0 265.401 1.214 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000261640171 288304050 /nfs/dbraw/zinc/30/40/50/288304050.db2.gz JUPOLNHIHHANFZ-MGPQQGTHSA-N 2 0 279.428 1.460 10 0 CDAERP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@H](O)CC3(O)CCC3)C2)C1 ZINC000528513731 281250861 /nfs/dbraw/zinc/25/08/61/281250861.db2.gz VGDVKZNOPAHSSU-HUUCEWRRSA-N 2 0 282.428 1.070 10 0 CDAERP CCN(CC[NH2+]CCCO)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001668576017 1173429506 /nfs/dbraw/zinc/42/95/06/1173429506.db2.gz ZLGGXROULXEVLV-HNNXBMFYSA-N 2 0 299.459 1.070 10 0 CDAERP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC000362992486 289406060 /nfs/dbraw/zinc/40/60/60/289406060.db2.gz LILBHIDDTARSSM-CQSZACIVSA-N 2 0 295.471 1.907 10 0 CDAERP O[C@H](C[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)C[NH+]1CCCC1 ZINC000403479765 289443821 /nfs/dbraw/zinc/44/38/21/289443821.db2.gz RKMWIDLIEOLHBX-APIJFGDWSA-N 2 0 252.402 1.469 10 0 CDAERP C[N@@H+]1CC[C@@]2(CC[NH+](CCCNC(=O)C(F)(F)F)C2)C1 ZINC000366543473 290187106 /nfs/dbraw/zinc/18/71/06/290187106.db2.gz HNYZBWJJXPSRTK-GFCCVEGCSA-N 2 0 293.333 1.083 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)[C@H]2CCC[C@H]21 ZINC000423550466 290224693 /nfs/dbraw/zinc/22/46/93/290224693.db2.gz SVMZCPWCESVPBA-IZKTWJBDSA-N 3 0 277.456 1.837 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000557182892 290333913 /nfs/dbraw/zinc/33/39/13/290333913.db2.gz RNEQNNZDTRUXOQ-VNHYZAJKSA-N 2 0 294.443 1.158 10 0 CDAERP O=C([C@H]1CCCCC[NH2+]1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000557191588 290334701 /nfs/dbraw/zinc/33/47/01/290334701.db2.gz MHHOCHGZNPNZOA-HIFRSBDPSA-N 2 0 265.401 1.121 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000561171804 293057415 /nfs/dbraw/zinc/05/74/15/293057415.db2.gz QJQWIYXENIDRRJ-MGPQQGTHSA-N 2 0 282.432 1.301 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000561198774 293062384 /nfs/dbraw/zinc/06/23/84/293062384.db2.gz ONQKCVOUALEDOT-RDBSUJKOSA-N 2 0 282.432 1.158 10 0 CDAERP [NH3+][C@@H](C[NH2+]Cc1cc(-n2ccnc2)cs1)C1CC1 ZINC000562744138 293190050 /nfs/dbraw/zinc/19/00/50/293190050.db2.gz RBZZCAMTAZNGGF-ZDUSSCGKSA-N 3 0 262.382 1.761 10 0 CDAERP O[C@H](C[NH2+]Cc1ccc2c[nH+]cn2c1)C(F)(F)F ZINC000563000442 293239798 /nfs/dbraw/zinc/23/97/98/293239798.db2.gz MDAZNVBORLPSQC-SNVBAGLBSA-N 2 0 259.231 1.347 10 0 CDAERP C[NH2+]C1CCN(C(=O)[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000568879094 294117259 /nfs/dbraw/zinc/11/72/59/294117259.db2.gz UFGQHVGTFAVMES-CQSZACIVSA-N 2 0 279.359 1.078 10 0 CDAERP CCOC[C@@H](O)C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000570444091 294239164 /nfs/dbraw/zinc/23/91/64/294239164.db2.gz AYIONDCVSBKVSH-AWEZNQCLSA-N 2 0 284.375 1.374 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000570784725 294306261 /nfs/dbraw/zinc/30/62/61/294306261.db2.gz NGKLLKITWZZOGR-ZFWWWQNUSA-N 2 0 296.459 1.406 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H](CO)Cc2ccc(F)c(F)c2)C1 ZINC000571061495 294363628 /nfs/dbraw/zinc/36/36/28/294363628.db2.gz VXJPZMDWCBJRFD-MGPQQGTHSA-N 2 0 298.377 1.975 10 0 CDAERP CCC(CC)(CC)C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000571671163 294484005 /nfs/dbraw/zinc/48/40/05/294484005.db2.gz UPBFFWRBZAAYPR-HNNXBMFYSA-N 2 0 285.476 1.401 10 0 CDAERP C[C@H](CC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)[C@H]1CCC[NH2+]C1 ZINC000571999560 294538306 /nfs/dbraw/zinc/53/83/06/294538306.db2.gz JCCLNLDRMMEKJI-ZOBORPQBSA-N 2 0 267.417 1.126 10 0 CDAERP O=C1NCC[C@H]1CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000572420316 294620073 /nfs/dbraw/zinc/62/00/73/294620073.db2.gz XRYVQZSTBWDRSA-HNNXBMFYSA-N 2 0 279.428 1.320 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@]1(C)CCC(=O)N1 ZINC000573061559 294743631 /nfs/dbraw/zinc/74/36/31/294743631.db2.gz JZGMGUOFVKXQTE-MRXNPFEDSA-N 2 0 299.378 1.334 10 0 CDAERP [NH3+]Cc1ccc2c(c1)CCCN2C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000261896832 295278807 /nfs/dbraw/zinc/27/88/07/295278807.db2.gz DDGMQFRWHQXXHM-HNNXBMFYSA-N 2 0 299.418 1.814 10 0 CDAERP [NH3+][C@@H]1CCC[C@H](C(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000055088348 295310760 /nfs/dbraw/zinc/31/07/60/295310760.db2.gz XKNJYUJVUDOXCT-UONOGXRCSA-N 2 0 279.428 1.591 10 0 CDAERP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)C[C@@H]12 ZINC000248637601 295320464 /nfs/dbraw/zinc/32/04/64/295320464.db2.gz QQJSNWGXOVTFBP-ZYIYBEKCSA-N 2 0 277.412 1.103 10 0 CDAERP [NH3+][C@H]1CCC[C@@H](C(=O)NCCC[NH+]2CCCCCC2)C1 ZINC000237905289 295335645 /nfs/dbraw/zinc/33/56/45/295335645.db2.gz ALURUTIWSNQIER-CABCVRRESA-N 2 0 281.444 1.886 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CC[N@@H+]1C ZINC000417759607 297273560 /nfs/dbraw/zinc/27/35/60/297273560.db2.gz WKMYZPUPKDDVKU-YCPHGPKFSA-N 2 0 294.443 1.254 10 0 CDAERP [NH3+]C1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000225650631 303361619 /nfs/dbraw/zinc/36/16/19/303361619.db2.gz SMHFMGOSEUIVAW-ASUPZPJHSA-N 2 0 265.401 1.293 10 0 CDAERP CCCCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001671692689 1173704711 /nfs/dbraw/zinc/70/47/11/1173704711.db2.gz CTMDKKJGEGIKFI-ZBFHGGJFSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@@H](C[C@H]1COCC[NH2+]1)NCC1([NH3+])CCCCCC1 ZINC000566088323 316470903 /nfs/dbraw/zinc/47/09/03/316470903.db2.gz RIWAUNXEPICFIE-KBPBESRZSA-N 2 0 269.433 1.395 10 0 CDAERP CC[C@H](C)C[C@H](C)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000566115623 316481064 /nfs/dbraw/zinc/48/10/64/316481064.db2.gz DYTIUNQPDUOBNQ-SOUVJXGZSA-N 2 0 271.449 1.009 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000575850762 317025070 /nfs/dbraw/zinc/02/50/70/317025070.db2.gz YBEBMTITLYBTEX-DZGCQCFKSA-N 3 0 285.395 1.793 10 0 CDAERP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C[NH2+]CCF ZINC001672315656 1173765214 /nfs/dbraw/zinc/76/52/14/1173765214.db2.gz PVRKSJJJVXNPTO-HIFRSBDPSA-N 2 0 299.434 1.372 10 0 CDAERP [NH3+]C[C@@H](NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000577368032 317314843 /nfs/dbraw/zinc/31/48/43/317314843.db2.gz MWQJUDCLHXXDIU-HUUCEWRRSA-N 2 0 294.443 1.430 10 0 CDAERP C[N@H+](C[C@H](O)CNCc1ccc2ccccc2n1)C1CC1 ZINC000579582325 324222633 /nfs/dbraw/zinc/22/26/33/324222633.db2.gz VQQHMWNBYAPUMZ-MRXNPFEDSA-N 2 0 285.391 1.780 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCC1CC[NH2+]CC1 ZINC000583013884 325088813 /nfs/dbraw/zinc/08/88/13/325088813.db2.gz VMZYBAXSDIDWIF-ZIAGYGMSSA-N 2 0 296.459 1.548 10 0 CDAERP CC(C)CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001731679937 1159325885 /nfs/dbraw/zinc/32/58/85/1159325885.db2.gz CYOFEAGNCLUPHM-HOTGVXAUSA-N 2 0 295.471 1.812 10 0 CDAERP CCN(CC[NH2+]CC[C@@H](C)F)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001699172644 1176125529 /nfs/dbraw/zinc/12/55/29/1176125529.db2.gz KVQRFINEULORFO-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP CC(C)=CC[NH+]1CC(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001267701269 1159571340 /nfs/dbraw/zinc/57/13/40/1159571340.db2.gz OIQCGVCRLISFEO-GASCZTMLSA-N 2 0 293.455 1.873 10 0 CDAERP C[C@@H](C(=O)N(C)CC[NH2+]CCF)[NH+]1CCCCCC1 ZINC001691500242 1159853537 /nfs/dbraw/zinc/85/35/37/1159853537.db2.gz KYDXALQPGFZGFJ-ZDUSSCGKSA-N 2 0 273.396 1.268 10 0 CDAERP CC[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001670807763 1160170215 /nfs/dbraw/zinc/17/02/15/1160170215.db2.gz QGYFHKPXFMGSMC-QWHCGFSZSA-N 2 0 265.401 1.262 10 0 CDAERP O[C@@H]1CC[N@@H+](C2CC[NH+](C[C@@H]3CC=CCC3)CC2)C1 ZINC000668739137 482220448 /nfs/dbraw/zinc/22/04/48/482220448.db2.gz JDLKUZKYKUACCI-GDBMZVCRSA-N 2 0 264.413 1.874 10 0 CDAERP C[NH+](C)Cc1ccccc1CNC(=O)CC1([NH3+])CC1 ZINC000398041351 482220749 /nfs/dbraw/zinc/22/07/49/482220749.db2.gz QDVVYHBQHJYUOH-UHFFFAOYSA-N 2 0 261.369 1.246 10 0 CDAERP CO[C@@H](C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+])C1CCC1 ZINC000662270967 482223018 /nfs/dbraw/zinc/22/30/18/482223018.db2.gz CUANQPATOACUQJ-CABCVRRESA-N 2 0 297.443 1.121 10 0 CDAERP C[C@@H](C[NH2+]C/C=C/Cl)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001732434865 1160578505 /nfs/dbraw/zinc/57/85/05/1160578505.db2.gz AWNJZRDZWVVNQS-ZCRIDZFUSA-N 2 0 287.835 1.517 10 0 CDAERP CO[C@]1(CO)CCC[N@H+](Cc2cccc3nccn32)C1 ZINC000668498778 482461989 /nfs/dbraw/zinc/46/19/89/482461989.db2.gz PFJUZORXHDGLGD-OAHLLOKOSA-N 2 0 275.352 1.308 10 0 CDAERP CC[C@@H]1CN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)CC[C@@H]1[NH3+] ZINC000669516249 482540362 /nfs/dbraw/zinc/54/03/62/482540362.db2.gz ZXMXCQCNAZAHBW-AGIUHOORSA-N 2 0 267.417 1.350 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000092955654 482641941 /nfs/dbraw/zinc/64/19/41/482641941.db2.gz KSCMRAWQGPJZOA-CFVMTHIKSA-N 2 0 275.396 1.404 10 0 CDAERP COCC[N@H+](C)CCC[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000684369462 482776491 /nfs/dbraw/zinc/77/64/91/482776491.db2.gz PLVMPSBRLKNMEW-KBPBESRZSA-N 2 0 258.406 1.502 10 0 CDAERP CCC(=O)N1CCC([NH2+]C2CC([NH+]3CCCCC3)C2)CC1 ZINC000684425733 482805932 /nfs/dbraw/zinc/80/59/32/482805932.db2.gz MNZGSGZYXGCKKA-UHFFFAOYSA-N 2 0 293.455 1.994 10 0 CDAERP CCC[N@@H+]1CC[C@@H](NC(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000389585721 482837618 /nfs/dbraw/zinc/83/76/18/482837618.db2.gz MXEFDOXBKOXKDU-OCCSQVGLSA-N 2 0 253.390 1.119 10 0 CDAERP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NC/C=C/C[NH3+])C1 ZINC000669405913 482905453 /nfs/dbraw/zinc/90/54/53/482905453.db2.gz NFZQHYYGQSGJDS-QAMKJQMISA-N 2 0 296.459 1.557 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000261697601 482920091 /nfs/dbraw/zinc/92/00/91/482920091.db2.gz IBVJUGSSPMFPQU-UKRRQHHQSA-N 2 0 281.444 1.742 10 0 CDAERP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000666879636 482959860 /nfs/dbraw/zinc/95/98/60/482959860.db2.gz MQLHHHFIMRQUBM-YOEHRIQHSA-N 3 0 291.439 1.715 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccccc1-n1cncn1 ZINC000666879588 482960012 /nfs/dbraw/zinc/96/00/12/482960012.db2.gz CECJCUAZCKXDPD-TZMCWYRMSA-N 2 0 271.368 1.355 10 0 CDAERP C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)C[C@@H]1CCC[C@H]1O ZINC000667695985 483385356 /nfs/dbraw/zinc/38/53/56/483385356.db2.gz INAHEUCKYIUSFO-XJKSGUPXSA-N 2 0 286.379 1.860 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)NCC[NH+]1CCCCCC1 ZINC000136424430 483402214 /nfs/dbraw/zinc/40/22/14/483402214.db2.gz BPQVFORWKITOCQ-ZDUSSCGKSA-N 2 0 255.406 1.352 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000136461042 483405399 /nfs/dbraw/zinc/40/53/99/483405399.db2.gz KNTFATSDJLGLCA-ZDUSSCGKSA-N 2 0 255.406 1.160 10 0 CDAERP C[NH+]1CCC(N2CCC([NH2+]C3CSC3)CC2)CC1 ZINC000679841345 483450363 /nfs/dbraw/zinc/45/03/63/483450363.db2.gz YKZPXRFZJMUBPP-UHFFFAOYSA-N 2 0 269.458 1.250 10 0 CDAERP COc1cccc(C[C@@H](C)[NH2+][C@H]2CCCN(C)C2)n1 ZINC000679989506 483508314 /nfs/dbraw/zinc/50/83/14/483508314.db2.gz QGUFZCOFPIBHSE-OCCSQVGLSA-N 2 0 263.385 1.705 10 0 CDAERP Cn1ncc(C2CCC2)c1CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000668077607 483554293 /nfs/dbraw/zinc/55/42/93/483554293.db2.gz SCAMGTVIKXICCT-OKILXGFUSA-N 2 0 274.412 1.681 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001483256490 1160884924 /nfs/dbraw/zinc/88/49/24/1160884924.db2.gz XTCFVOCKNSRWGR-AWEZNQCLSA-N 2 0 281.444 1.921 10 0 CDAERP Cc1cc(C[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C)cs1 ZINC001483262357 1160886433 /nfs/dbraw/zinc/88/64/33/1160886433.db2.gz YHJAHNHNZSCQIV-NSHDSACASA-N 2 0 283.441 1.603 10 0 CDAERP CC[NH2+]CCC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000061294286 519915595 /nfs/dbraw/zinc/91/55/95/519915595.db2.gz ANZNCQALVGIJFC-UHFFFAOYSA-N 2 0 277.412 1.576 10 0 CDAERP CC[NH2+]CCC[C@@H](C)[N@H+](CCCOC)CCOC ZINC000052543276 519920003 /nfs/dbraw/zinc/92/00/03/519920003.db2.gz OABGRYXYUDMLNF-CQSZACIVSA-N 2 0 260.422 1.750 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NCCC[NH+](C)C/C=C/Cl)C1 ZINC001707408837 1178025133 /nfs/dbraw/zinc/02/51/33/1178025133.db2.gz NGCXJKRPJJGWKJ-YIALFULDSA-N 2 0 287.835 1.519 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](CCOC)[C@@H](C)COC)O1 ZINC000052572431 519951757 /nfs/dbraw/zinc/95/17/57/519951757.db2.gz DAXNNNLUCYNZKO-KKUMJFAQSA-N 2 0 288.432 1.127 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@H](C[N@H+](CC)C[C@@H]2CCCO2)O1 ZINC000052511037 519953464 /nfs/dbraw/zinc/95/34/64/519953464.db2.gz RRPFLADLOKBDEK-SOUVJXGZSA-N 2 0 270.417 1.644 10 0 CDAERP CC[NH+](CC)CCC[C@H](C)NS(=O)(=O)CCCC[NH3+] ZINC000049061320 520636246 /nfs/dbraw/zinc/63/62/46/520636246.db2.gz VVKJJGPKRJNAEC-ZDUSSCGKSA-N 2 0 293.477 1.155 10 0 CDAERP CC1CC[NH+](CCNC(=O)[C@H]2C[C@H]([NH3+])CC[C@@H]2C)CC1 ZINC000055136667 521012626 /nfs/dbraw/zinc/01/26/26/521012626.db2.gz PMXCHRABTJOCJJ-ZNMIVQPWSA-N 2 0 281.444 1.598 10 0 CDAERP [NH3+]CCCCNC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000227236259 1161422115 /nfs/dbraw/zinc/42/21/15/1161422115.db2.gz LJABSDWAGNQVRZ-AGIUHOORSA-N 2 0 253.390 1.152 10 0 CDAERP CCCN(CC[NH+](C)C)[C@@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC000045687553 521657464 /nfs/dbraw/zinc/65/74/64/521657464.db2.gz RTICYTRKUYDDJD-CVEARBPZSA-N 2 0 261.413 1.885 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(CC[C@@](C)(CO)[NH2+]C(C)C)CC1 ZINC000070334914 522120507 /nfs/dbraw/zinc/12/05/07/522120507.db2.gz XJXGMXVVOWVKAS-CVEARBPZSA-N 2 0 285.476 1.542 10 0 CDAERP C[NH2+]Cc1ccccc1CN(C)CC[NH+]1CCCC1 ZINC000063054051 522134147 /nfs/dbraw/zinc/13/41/47/522134147.db2.gz CCOZKRTZFASJOM-UHFFFAOYSA-N 2 0 261.413 1.934 10 0 CDAERP O[C@H](CC1CCCC1)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000310962828 1186678590 /nfs/dbraw/zinc/67/85/90/1186678590.db2.gz DZZGGNZWBMJBRV-CABCVRRESA-N 2 0 252.402 1.613 10 0 CDAERP C(CN1CC[C@H]([NH+]2CCCC2)C1)[NH2+]CC1CCCC1 ZINC000062974479 518392350 /nfs/dbraw/zinc/39/23/50/518392350.db2.gz YSACRIJRQYWIBC-INIZCTEOSA-N 2 0 265.445 1.936 10 0 CDAERP CC(C)(C[NH2+]C1CC1)CN1CC[NH+](C2CC2)CC1 ZINC000051285162 519266367 /nfs/dbraw/zinc/26/63/67/519266367.db2.gz CULAYACBZJLJBH-UHFFFAOYSA-N 2 0 251.418 1.545 10 0 CDAERP CC(C)[NH+]1CCN(C(=O)C[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000055129255 519679702 /nfs/dbraw/zinc/67/97/02/519679702.db2.gz IBJSNJRPFPBZEF-KBPBESRZSA-N 2 0 267.417 1.447 10 0 CDAERP CC(C)C[NH+]1CCN(C[C@@H]2CC[C@@H](C[NH2+]C3CC3)O2)CC1 ZINC000055082832 519726415 /nfs/dbraw/zinc/72/64/15/519726415.db2.gz RJSHPNLCELMZJA-IRXDYDNUSA-N 2 0 295.471 1.560 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CCC[C@@H](C)[NH2+]1 ZINC000049560233 519775337 /nfs/dbraw/zinc/77/53/37/519775337.db2.gz CWIMJQPKFJLIFS-HZSPNIEDSA-N 2 0 269.433 1.610 10 0 CDAERP CC(C)[C@@H]1CC[C@H]([NH3+])[C@H](N2CCN(CC[NH+](C)C)CC2)C1 ZINC000061643801 519803337 /nfs/dbraw/zinc/80/33/37/519803337.db2.gz XBQZAGSVBSMYPL-IXDOHACOSA-N 2 0 296.503 1.318 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000049560220 519846249 /nfs/dbraw/zinc/84/62/49/519846249.db2.gz OMTDENLISPVYTK-STQMWFEESA-N 2 0 267.417 1.365 10 0 CDAERP CCC[NH+]1CCN(Cc2cc(C)c(C[NH3+])o2)CC1 ZINC000052421920 519858736 /nfs/dbraw/zinc/85/87/36/519858736.db2.gz SMCLKSIVWDTPRT-UHFFFAOYSA-N 2 0 251.374 1.574 10 0 CDAERP CCC[NH2+]CCC[C@H](C)[N@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000052482887 519913168 /nfs/dbraw/zinc/91/31/68/519913168.db2.gz GFLLIBSMWZJGNW-QWHCGFSZSA-N 2 0 276.446 1.274 10 0 CDAERP CC[NH2+]CC1(CN2CC[NH+](CC(C)C)CC2)CCOCC1 ZINC000055082226 519913669 /nfs/dbraw/zinc/91/36/69/519913669.db2.gz SKIHAOWWHUHGAC-UHFFFAOYSA-N 2 0 297.487 1.666 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@H+](CCOC)[C@@H](C)C2CC2)O1 ZINC000052545446 519977088 /nfs/dbraw/zinc/97/70/88/519977088.db2.gz LXEDRFVSMMXBLY-IMJJTQAJSA-N 2 0 284.444 1.890 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@@H+]2CCSC[C@@H]2C)O1 ZINC000070221889 519980194 /nfs/dbraw/zinc/98/01/94/519980194.db2.gz CRAOWSPGUITBLE-XQQFMLRXSA-N 2 0 258.431 1.581 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@H](C[NH+]2CCC(OC)CC2)O1 ZINC000052455407 519981268 /nfs/dbraw/zinc/98/12/68/519981268.db2.gz VJEHXYWFBORKQJ-ZIAGYGMSSA-N 2 0 256.390 1.254 10 0 CDAERP CC[NH2+]Cc1cccc(OCC[N@H+](C)CCOC)c1 ZINC000052572851 520006756 /nfs/dbraw/zinc/00/67/56/520006756.db2.gz JJJNQWMGSCPOIO-UHFFFAOYSA-N 2 0 266.385 1.753 10 0 CDAERP CC[NH2+]Cc1ccccc1N1CCN(CC[NH+](C)C)CC1 ZINC000061646114 520008217 /nfs/dbraw/zinc/00/82/17/520008217.db2.gz VYBYNHRPGKHMQO-UHFFFAOYSA-N 2 0 290.455 1.480 10 0 CDAERP CCC[NH2+][C@H](CN1CC[C@H]([NH+]2CCCC2)C1)C1CC1 ZINC000069075454 520083485 /nfs/dbraw/zinc/08/34/85/520083485.db2.gz VAHMQVKOIXMLLL-JKSUJKDBSA-N 2 0 265.445 1.935 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000061272796 520163516 /nfs/dbraw/zinc/16/35/16/520163516.db2.gz AKPLCHNFIZEVAW-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP CC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1C[N@H+](C)CCO ZINC000054560056 520219687 /nfs/dbraw/zinc/21/96/87/520219687.db2.gz GZXAPAPYWMTVQZ-ZNMIVQPWSA-N 2 0 256.434 1.961 10 0 CDAERP CC[NH+](CC)C[C@H](O)C[NH2+][C@H](C)Cc1ccsc1 ZINC000049181853 520738133 /nfs/dbraw/zinc/73/81/33/520738133.db2.gz NWQMCQXOQWQKRI-TZMCWYRMSA-N 2 0 270.442 1.971 10 0 CDAERP CC[NH+](CC)[C@H](CNC(=O)C1CC[NH2+]CC1)c1ccco1 ZINC000236874183 520861156 /nfs/dbraw/zinc/86/11/56/520861156.db2.gz QDCBVWJIHYAFGD-CQSZACIVSA-N 2 0 293.411 1.778 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(CC[NH2+]CCCOC(C)C)C1 ZINC000062974384 520871916 /nfs/dbraw/zinc/87/19/16/520871916.db2.gz KVDCFCUPYRUZAB-INIZCTEOSA-N 2 0 285.476 1.807 10 0 CDAERP CCC[C@@]1(C(=O)N[C@@H](C)CC[NH+](C)C)CC[NH2+]C1 ZINC000062901842 520943058 /nfs/dbraw/zinc/94/30/58/520943058.db2.gz JSEIBYGXGIYNOD-GXTWGEPZSA-N 2 0 255.406 1.223 10 0 CDAERP CC[N@H+](C[C@H]1CCCO1)CC1(C[NH2+]C)CCOCC1 ZINC000052182562 521269092 /nfs/dbraw/zinc/26/90/92/521269092.db2.gz ZUVQJLGMBNMUHP-CQSZACIVSA-N 2 0 270.417 1.504 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)c1c[nH+]ccc1N(C)C ZINC000183842757 521607853 /nfs/dbraw/zinc/60/78/53/521607853.db2.gz VXEZQSGAXMQQRF-UHFFFAOYSA-N 2 0 278.400 1.609 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)[C@@](C)([NH3+])c2ccccc2)C1 ZINC000226560528 521621233 /nfs/dbraw/zinc/62/12/33/521621233.db2.gz DFPKXMBGCPQNCQ-ZBFHGGJFSA-N 2 0 275.396 1.461 10 0 CDAERP CN(CC[NH+](C)C)[C@@H](C[NH3+])c1ccc2ncccc2c1 ZINC000069502832 521748777 /nfs/dbraw/zinc/74/87/77/521748777.db2.gz YALLICHSEZDYSO-INIZCTEOSA-N 2 0 272.396 1.728 10 0 CDAERP COCC[C@@H]([NH3+])C(=O)Nc1cc(C[NH+](C)C)ccc1OC ZINC000052792111 521825885 /nfs/dbraw/zinc/82/58/85/521825885.db2.gz AVWLWJDBTWLJSE-GFCCVEGCSA-N 2 0 295.383 1.059 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1CC(=O)Nc1ccc(C[NH3+])cc1 ZINC000061642612 521833924 /nfs/dbraw/zinc/83/39/24/521833924.db2.gz DTUBXBOHMBMEGA-HNNXBMFYSA-N 2 0 290.411 1.110 10 0 CDAERP C[NH2+]CC1(C[N@H+](CCOC)CC(C)C)CCOCC1 ZINC000052182461 521967959 /nfs/dbraw/zinc/96/79/59/521967959.db2.gz LDTWVMMPIURZHT-UHFFFAOYSA-N 2 0 272.433 1.607 10 0 CDAERP C[NH2+]CCCCC[NH+]1CCN(c2ccccn2)CC1 ZINC000052418618 521992713 /nfs/dbraw/zinc/99/27/13/521992713.db2.gz JVARZZNSLQRAKL-UHFFFAOYSA-N 2 0 262.401 1.593 10 0 CDAERP C[NH+](C)[C@H]1CCN(C(=O)CC2CCC([NH3+])CC2)C1 ZINC000062985411 522101969 /nfs/dbraw/zinc/10/19/69/522101969.db2.gz APYOTWLHEBNBOW-BPCQOVAHSA-N 2 0 253.390 1.057 10 0 CDAERP C[NH2+]Cc1ccc(C[N@@H+]2CCC[C@H]2CN(C)C)cc1 ZINC000061654570 522117520 /nfs/dbraw/zinc/11/75/20/522117520.db2.gz GZDQAUNBEGTQMF-INIZCTEOSA-N 2 0 261.413 1.932 10 0 CDAERP C[NH2+]Cc1ccc(CN2CCC[C@@H]2C[NH+](C)C)o1 ZINC000061654485 522117549 /nfs/dbraw/zinc/11/75/49/522117549.db2.gz HCJJDZAVUBQEPY-GFCCVEGCSA-N 2 0 251.374 1.525 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(CC[NH2+]C[C@@H]2CCOC2)CC1 ZINC000055075453 522121454 /nfs/dbraw/zinc/12/14/54/522121454.db2.gz DQAGOBXHNLCBHO-CABCVRRESA-N 2 0 269.433 1.029 10 0 CDAERP C[NH2+]Cc1cccc(C[N@H+](CCOC)[C@@H](C)COC)c1 ZINC000052572306 522128273 /nfs/dbraw/zinc/12/82/73/522128273.db2.gz XABGMKPPWFUPHU-AWEZNQCLSA-N 2 0 280.412 1.889 10 0 CDAERP C[NH2+]Cc1cccc(OCC[N@H+](C)CCOC)c1 ZINC000052572850 522134383 /nfs/dbraw/zinc/13/43/83/522134383.db2.gz JUWXBOBNPVLARB-UHFFFAOYSA-N 2 0 252.358 1.363 10 0 CDAERP CC[C@H](CCO)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353528782 522146695 /nfs/dbraw/zinc/14/66/95/522146695.db2.gz HZWYUSSDPQZSEE-KBUPBQIOSA-N 2 0 254.418 1.857 10 0 CDAERP C[NH2+][C@@H]1CCCCCC[C@@H]1N1CC[C@H]([NH+](C)C)C1 ZINC000062965283 522377063 /nfs/dbraw/zinc/37/70/63/522377063.db2.gz JDQITPYRRJMFBK-ZNMIVQPWSA-N 2 0 253.434 1.933 10 0 CDAERP C[NH2+][C@H](CN(C)CC[NH+]1CCCC1)c1ccccc1OC ZINC000063051812 522465377 /nfs/dbraw/zinc/46/53/77/522465377.db2.gz PXMWDIKEPHUESE-MRXNPFEDSA-N 2 0 291.439 1.983 10 0 CDAERP CCc1[nH+]c2cc(N)ccc2n1CCC[NH+]1CCOCC1 ZINC000052852456 522487718 /nfs/dbraw/zinc/48/77/18/522487718.db2.gz TWDQFDYPFRPSKH-UHFFFAOYSA-N 2 0 288.395 1.903 10 0 CDAERP C[N@H+](CCCCC[NH2+]C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000052482905 522731732 /nfs/dbraw/zinc/73/17/32/522731732.db2.gz LWWHBJDYLSCTLN-ZDUSSCGKSA-N 2 0 274.430 1.028 10 0 CDAERP CN(CCC[NH3+])C(=O)C[NH+]1CCC2(CCCCC2)CC1 ZINC000061818648 522741253 /nfs/dbraw/zinc/74/12/53/522741253.db2.gz SCZQNHYTOWMZJP-UHFFFAOYSA-N 2 0 281.444 1.840 10 0 CDAERP COCC[N@H+](Cc1ccc(C[NH3+])o1)[C@@H](C)COC ZINC000052572338 523748388 /nfs/dbraw/zinc/74/83/88/523748388.db2.gz GZMYUWWUCHUMLE-NSHDSACASA-N 2 0 256.346 1.222 10 0 CDAERP C[N@@H+]1CCCN(c2cccc(Cl)c2C(N)=[NH2+])CC1 ZINC000052904788 523813354 /nfs/dbraw/zinc/81/33/54/523813354.db2.gz QTCLWYPLKXPSNJ-UHFFFAOYSA-N 2 0 266.776 1.766 10 0 CDAERP CN(C(=O)[C@@H]1CCC[C@H](C[NH3+])C1)C1CC[NH+](C)CC1 ZINC000055145636 523897244 /nfs/dbraw/zinc/89/72/44/523897244.db2.gz GNUKXSZCHOMKJN-QWHCGFSZSA-N 2 0 267.417 1.304 10 0 CDAERP CC[C@H](C)[NH+]1CCN(CC[C@](C)([NH2+]C(C)C)C(N)=O)CC1 ZINC000055070598 523954754 /nfs/dbraw/zinc/95/47/54/523954754.db2.gz IAPWFVAGGACEPV-HOCLYGCPSA-N 2 0 298.475 1.035 10 0 CDAERP CC[C@H](C)[NH+]1CCN([C@H](C[NH3+])C2CCCC2)CC1 ZINC000055064368 523959270 /nfs/dbraw/zinc/95/92/70/523959270.db2.gz RAZZOIKKOQMELN-DZGCQCFKSA-N 2 0 253.434 1.920 10 0 CDAERP C[NH+](C)CC(C)(C)CNC(=O)C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000055125315 524045568 /nfs/dbraw/zinc/04/55/68/524045568.db2.gz PTPSUIMROMWDMZ-CHWSQXEVSA-N 2 0 269.433 1.598 10 0 CDAERP C[NH+](C)CCCOCc1csc(C[NH2+]C2CC2)n1 ZINC000052672152 524058124 /nfs/dbraw/zinc/05/81/24/524058124.db2.gz YVBRQCKCJFSWQE-UHFFFAOYSA-N 2 0 269.414 1.863 10 0 CDAERP C[C@H]1CCC[C@@H](C(=O)NCC[NH+]2CCCCC2)[NH2+]1 ZINC000049575580 524127973 /nfs/dbraw/zinc/12/79/73/524127973.db2.gz XSZNLYFZWJCMAR-STQMWFEESA-N 2 0 253.390 1.119 10 0 CDAERP C[C@H]1CCC[C@@](C[NH3+])(N2CCC[C@@H]2C[NH+](C)C)C1 ZINC000061643016 524169651 /nfs/dbraw/zinc/16/96/51/524169651.db2.gz WRACKDJITWPTKF-RRFJBIMHSA-N 2 0 253.434 1.920 10 0 CDAERP C[C@H](C[NH+]1CCCC1)NCC[C@H]1CCCC[N@@H+]1C ZINC000052205941 524317416 /nfs/dbraw/zinc/31/74/16/524317416.db2.gz IPEIJHVQZVROTM-HUUCEWRRSA-N 2 0 253.434 1.935 10 0 CDAERP C[C@@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)NCC1CC[NH+](C)CC1 ZINC000055140198 524684672 /nfs/dbraw/zinc/68/46/72/524684672.db2.gz JXDPWAOPWDGCIM-XBFCOCLRSA-N 2 0 267.417 1.208 10 0 CDAERP Cc1cc(C[NH+]2CCN(CC[NH+](C)C)CC2)ccc1N ZINC000061652485 524695306 /nfs/dbraw/zinc/69/53/06/524695306.db2.gz ISWQKUOYTUOAIK-UHFFFAOYSA-N 2 0 276.428 1.256 10 0 CDAERP CC[C@H](C(=O)NCC1=CC[N@H+](CC2CCC2)CC1)[NH+](C)C ZINC001677624877 1174379704 /nfs/dbraw/zinc/37/97/04/1174379704.db2.gz WSXBTQXVMSOTKT-MRXNPFEDSA-N 2 0 293.455 1.875 10 0 CDAERP C[C@@H](C[NH2+]C1CC1)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515259 524734424 /nfs/dbraw/zinc/73/44/24/524734424.db2.gz CKDDNXPDINZWGS-ZDUSSCGKSA-N 3 0 253.434 1.648 10 0 CDAERP C[C@@H](C[NH2+]C1CCCC1)N1CCN(CC[NH+](C)C)CC1 ZINC000061655265 524736419 /nfs/dbraw/zinc/73/64/19/524736419.db2.gz HLCANTHHPCSPEO-HNNXBMFYSA-N 2 0 282.476 1.086 10 0 CDAERP Cc1cc(F)ccc1[C@H](C[NH3+])N1CC[NH+](C)CC1 ZINC000050578083 525008820 /nfs/dbraw/zinc/00/88/20/525008820.db2.gz IBCJAKGXXYOWCT-AWEZNQCLSA-N 2 0 251.349 1.381 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000055138506 525087166 /nfs/dbraw/zinc/08/71/66/525087166.db2.gz FLUXKGVMYHCPFE-RFGFWPKPSA-N 2 0 267.417 1.208 10 0 CDAERP CSCC[C@@H](C[NH3+])N1CC[NH+](CC(C)C)CC1 ZINC000055077933 525526925 /nfs/dbraw/zinc/52/69/25/525526925.db2.gz SJCIWSHTXFBQOG-ZDUSSCGKSA-N 2 0 259.463 1.340 10 0 CDAERP C[C@@H]1[C@@H](C)CCC[C@@H]1[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000068632432 525645015 /nfs/dbraw/zinc/64/50/15/525645015.db2.gz IXRYXVAIMYEURK-XUWVNRHRSA-N 2 0 293.455 1.707 10 0 CDAERP NC(=[NH2+])c1ccc(C[N@H+](CCO)Cc2ccccc2)cc1 ZINC000050514482 526821999 /nfs/dbraw/zinc/82/19/99/526821999.db2.gz KGLIAQIXRZCPDE-UHFFFAOYSA-N 2 0 283.375 1.965 10 0 CDAERP [NH3+]CCCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCCCO2)CC1 ZINC000050958388 527173978 /nfs/dbraw/zinc/17/39/78/527173978.db2.gz ZSYFSKUKAGKKNL-HNNXBMFYSA-N 2 0 297.443 1.219 10 0 CDAERP [NH3+]C[C@@H](CN[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000061613696 527202123 /nfs/dbraw/zinc/20/21/23/527202123.db2.gz QUBOUKJRIDSEOQ-LSDHHAIUSA-N 2 0 259.397 1.555 10 0 CDAERP [NH3+]Cc1cc(N2CCC([NH+]3CCCCC3)CC2)ccn1 ZINC000051397168 527249362 /nfs/dbraw/zinc/24/93/62/527249362.db2.gz HULYKQTVUJVKQD-UHFFFAOYSA-N 2 0 274.412 1.995 10 0 CDAERP [NH3+]Cc1cn(CC[N@@H+]2CC[C@@H](c3ccccc3)C2)nn1 ZINC000052373096 527262960 /nfs/dbraw/zinc/26/29/60/527262960.db2.gz AENBODRVTGFAJD-CQSZACIVSA-N 2 0 271.368 1.226 10 0 CDAERP CCCCOC[C@H](O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000195159545 528621548 /nfs/dbraw/zinc/62/15/48/528621548.db2.gz FUPDGWKMBYNQLD-MRXNPFEDSA-N 2 0 286.460 1.828 10 0 CDAERP CCC([NH3+])(CC)CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000417928498 528933031 /nfs/dbraw/zinc/93/30/31/528933031.db2.gz HLZBYFJNARGOAU-UHFFFAOYSA-N 2 0 298.475 1.924 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CC[NH2+]C[C@H]2C)C1 ZINC000417241502 534956059 /nfs/dbraw/zinc/95/60/59/534956059.db2.gz RQNYQTHCUSYYRW-MCIONIFRSA-N 2 0 282.432 1.016 10 0 CDAERP CCOCCO[C@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261719987 535659532 /nfs/dbraw/zinc/65/95/32/535659532.db2.gz FSWIUXWIIGVFMM-UONOGXRCSA-N 2 0 256.390 1.113 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCN1CCCC[C@@H]1C ZINC000422857099 536595095 /nfs/dbraw/zinc/59/50/95/536595095.db2.gz GWKLYOFCEYKIGQ-UONOGXRCSA-N 2 0 257.422 1.204 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000234726087 536596579 /nfs/dbraw/zinc/59/65/79/536596579.db2.gz YUMQPFNVSBOZHK-KGLIPLIRSA-N 2 0 264.369 1.334 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](CN2C[C@H](C)CC2=O)CC1 ZINC000738070799 576036278 /nfs/dbraw/zinc/03/62/78/576036278.db2.gz LAMCFIUHWBFUKD-CQSZACIVSA-N 2 0 281.444 1.866 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](CCC2OCCO2)CC1 ZINC000767765467 576227345 /nfs/dbraw/zinc/22/73/45/576227345.db2.gz LFARWQXDDSIGDF-UHFFFAOYSA-N 2 0 270.417 1.803 10 0 CDAERP CCOC(=O)[C@@H]1C[NH2+]CC12C[C@H]1CC[C@@H](C2)[N@H+]1C ZINC000757183546 577034180 /nfs/dbraw/zinc/03/41/80/577034180.db2.gz CVKXJWKGRWXKJT-JACPFSORSA-N 2 0 252.358 1.012 10 0 CDAERP CC(C)(C)OC(=O)[C@@H]1C[NH2+]CC12CC[NH+](C1CC1)CC2 ZINC000757184900 577034283 /nfs/dbraw/zinc/03/42/83/577034283.db2.gz NQCVOUQEGCAWJX-ZDUSSCGKSA-N 2 0 280.412 1.792 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001689802627 1175261900 /nfs/dbraw/zinc/26/19/00/1175261900.db2.gz BFZJCVLTNOHISN-HIFRSBDPSA-N 2 0 299.434 1.514 10 0 CDAERP C[C@@H]1CN(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C[C@H]1[NH3+] ZINC000926043808 617350128 /nfs/dbraw/zinc/35/01/28/617350128.db2.gz HVEBXTFXCYKYIV-ZWNOBZJWSA-N 2 0 286.339 1.078 10 0 CDAERP COCCOCCC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925520291 617431699 /nfs/dbraw/zinc/43/16/99/617431699.db2.gz RJNXPPUJOLIAIK-RDBSUJKOSA-N 2 0 270.417 1.406 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]CCC(=O)N2CCCCCC2)C12CCC2 ZINC000925542040 617484287 /nfs/dbraw/zinc/48/42/87/617484287.db2.gz GIPKZVLXDNYJKF-KGLIPLIRSA-N 2 0 279.428 1.639 10 0 CDAERP C[C@@H]1OC[C@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)[C@@H]1C ZINC000926356422 617493947 /nfs/dbraw/zinc/49/39/47/617493947.db2.gz HWAFVAIGKYSHAA-RDBSUJKOSA-N 2 0 269.433 1.025 10 0 CDAERP CC(C)[C@@H](CN[C@@H]1CC[NH2+]C12CCC2)[NH+]1CCCC1 ZINC000925606351 617548836 /nfs/dbraw/zinc/54/88/36/617548836.db2.gz NISNKAMERXYPGQ-HUUCEWRRSA-N 2 0 265.445 1.981 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CC2(CO)CCOCC2)C1 ZINC000925615737 617560464 /nfs/dbraw/zinc/56/04/64/617560464.db2.gz ICEAEXBCGLDBEN-STQMWFEESA-N 2 0 270.417 1.271 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCN(c2ccccn2)C1 ZINC000925624292 617572260 /nfs/dbraw/zinc/57/22/60/617572260.db2.gz ZDYFAYPYMHXMFO-QDSSRZTBSA-N 2 0 286.423 1.590 10 0 CDAERP CCO[C@H](CN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)C[NH+](C)C ZINC000925841450 617872326 /nfs/dbraw/zinc/87/23/26/617872326.db2.gz RFACTEABTINCLO-APIJFGDWSA-N 2 0 283.460 1.319 10 0 CDAERP CN1C[C@@H]2C[N@@H+]([C@@H]3C[C@H]4CCCC[C@@H]4NC3=O)C[C@]2(C)C1 ZINC000933733322 617598754 /nfs/dbraw/zinc/59/87/54/617598754.db2.gz IGKSKICZJKXOPF-GAGVYUBLSA-N 2 0 291.439 1.317 10 0 CDAERP C1CO[C@@]2(C1)CCC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925772550 617645788 /nfs/dbraw/zinc/64/57/88/617645788.db2.gz IROMFLNJSKADDL-FIBILERRSA-N 2 0 250.386 1.961 10 0 CDAERP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925810920 617754082 /nfs/dbraw/zinc/75/40/82/617754082.db2.gz GZPUEOJHHKGFRV-JSGCOSHPSA-N 2 0 253.434 1.824 10 0 CDAERP [NH3+][C@@H]1C[C@H](NCCN2CCC([NH3+])CC2)c2ccccc21 ZINC000925816078 617771492 /nfs/dbraw/zinc/77/14/92/617771492.db2.gz DLEOTVZJAOUHQS-CVEARBPZSA-N 2 0 274.412 1.144 10 0 CDAERP CC1(C)[C@H]([NH2+][C@@H]2CC[C@H](C[NH3+])C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925705149 617784105 /nfs/dbraw/zinc/78/41/05/617784105.db2.gz HZLPYVSYXZBXSJ-MQLXINIDSA-N 3 0 251.418 1.480 10 0 CDAERP C[C@@H](C[NH2+][C@@H](C1CC1)C1CCOCC1)C[NH+](C)C ZINC000926474095 617864347 /nfs/dbraw/zinc/86/43/47/617864347.db2.gz ODAXIFKOZPKLKJ-WFASDCNBSA-N 2 0 254.418 1.979 10 0 CDAERP CN(C)[C@H](CC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2)C(F)(F)F ZINC000925837085 617867136 /nfs/dbraw/zinc/86/71/36/617867136.db2.gz NNPZSKSUYGFQKI-GARJFASQSA-N 2 0 279.350 1.729 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](CCO[C@H]2CCOC2)C1 ZINC000923415866 618326298 /nfs/dbraw/zinc/32/62/98/618326298.db2.gz RYQKECWLSLMNKT-DZGCQCFKSA-N 2 0 270.417 1.489 10 0 CDAERP C[C@H](C[NH2+]C1CC2(C1)CO[C@@H](C)C2)N1CC[NH+](C)CC1 ZINC000924963961 618457908 /nfs/dbraw/zinc/45/79/08/618457908.db2.gz HVRAVYVDYBALFK-QVOMUQBLSA-N 2 0 281.444 1.170 10 0 CDAERP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)S2)N1CC[NH+](C)CC1 ZINC000924966733 618482157 /nfs/dbraw/zinc/48/21/57/618482157.db2.gz UOVGJZIFPJTJQJ-AVOUXACISA-N 2 0 283.485 1.639 10 0 CDAERP C[C@@H]1[C@H](NC(=O)c2cnn(-c3ccncc3)c2)CC[N@@H+]1C ZINC000928438382 619081003 /nfs/dbraw/zinc/08/10/03/619081003.db2.gz ZPSBEWFWLXIXRQ-BXUZGUMPSA-N 2 0 285.351 1.090 10 0 CDAERP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2CC[NH+]2C(C)(C)C)C1 ZINC000897825771 621147124 /nfs/dbraw/zinc/14/71/24/621147124.db2.gz OFXHHBONNBVBEP-AVGNSLFASA-N 2 0 265.401 1.022 10 0 CDAERP O=C(N1CCC[C@@H]1C[NH+]1CCCC1)C12CC[NH+](CC1)C2 ZINC000900442255 623063549 /nfs/dbraw/zinc/06/35/49/623063549.db2.gz OTSMHFVIDBPEOG-CQSZACIVSA-N 2 0 277.412 1.169 10 0 CDAERP COc1c(C)cnc(CNC(=O)C23CC[NH+](CC2)C3)c1C ZINC000900444098 623115195 /nfs/dbraw/zinc/11/51/95/623115195.db2.gz HBMXFFMNQWTEEJ-UHFFFAOYSA-N 2 0 289.379 1.419 10 0 CDAERP C1CCC([C@H]2C[NH2+]CC[C@H]2N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC000902463203 624855083 /nfs/dbraw/zinc/85/50/83/624855083.db2.gz ZTKJJKWQHGANMP-UYJHQMFVSA-N 2 0 263.429 1.637 10 0 CDAERP C[C@H]([NH2+]CCOCC[NH+](C)C)[C@@H]1COc2ccccc2C1 ZINC000902970387 625742111 /nfs/dbraw/zinc/74/21/11/625742111.db2.gz MMRZSRGREDTMLW-HOCLYGCPSA-N 2 0 292.423 1.794 10 0 CDAERP C(C[NH2+][C@@H]1CCO[C@]12CCOC2)C[NH+]1CCCCC1 ZINC000903060198 625810592 /nfs/dbraw/zinc/81/05/92/625810592.db2.gz SYZGOVTULYWVAF-CABCVRRESA-N 2 0 268.401 1.400 10 0 CDAERP CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903433014 625990929 /nfs/dbraw/zinc/99/09/29/625990929.db2.gz QTWCALJIDWYJPX-RDBSUJKOSA-N 2 0 267.417 1.447 10 0 CDAERP CC[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@@H](C)CS(=O)(=O)CC ZINC000903438021 625991866 /nfs/dbraw/zinc/99/18/66/625991866.db2.gz PRGVNDWPZHPUJP-XQQFMLRXSA-N 2 0 276.446 1.259 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000903455971 626002148 /nfs/dbraw/zinc/00/21/48/626002148.db2.gz ANTDTOROQCJBAC-UTUOFQBUSA-N 2 0 279.350 1.410 10 0 CDAERP C(C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1)OC1CC1 ZINC000903474042 626004771 /nfs/dbraw/zinc/00/47/71/626004771.db2.gz GIRHSVPJSHDKIZ-OAHLLOKOSA-N 2 0 268.401 1.256 10 0 CDAERP C[C@@H]1CN(Cc2noc(C3CCC3)n2)C[C@H]1CC[NH3+] ZINC000903499410 626009021 /nfs/dbraw/zinc/00/90/21/626009021.db2.gz TWJISOQLZLQPCE-ZYHUDNBSSA-N 2 0 264.373 1.754 10 0 CDAERP CC(C)C[C@H](C)N(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496906 626012080 /nfs/dbraw/zinc/01/20/80/626012080.db2.gz JRVZAQZUCPBLPY-QLFBSQMISA-N 2 0 283.460 1.796 10 0 CDAERP CC(C)COCCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903507428 626015328 /nfs/dbraw/zinc/01/53/28/626015328.db2.gz ZIXIUNHQUFFDFF-CALCHBBNSA-N 2 0 295.471 1.560 10 0 CDAERP C([C@H]1CCCC[NH2+]C1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000903751825 626073439 /nfs/dbraw/zinc/07/34/39/626073439.db2.gz MUSPFJZDMRROJT-GJZGRUSLSA-N 2 0 251.418 1.452 10 0 CDAERP C(C[N@@H+]1CC[NH2+]CCC12CCOCC2)OC1CC1 ZINC000903819560 626102882 /nfs/dbraw/zinc/10/28/82/626102882.db2.gz KVTSPCPSTQBLCR-UHFFFAOYSA-N 2 0 254.374 1.010 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[NH+]2C[C@@H](C)S[C@H](C)C2)cnn1C ZINC000903888527 626123762 /nfs/dbraw/zinc/12/37/62/626123762.db2.gz DZMJGDJZHWROSS-YRGRVCCFSA-N 2 0 296.484 1.672 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCC[C@H](C)[C@H]2C)cnn1C ZINC000903889776 626124442 /nfs/dbraw/zinc/12/44/42/626124442.db2.gz VFIRJFOLADECIL-GZBFAFLISA-N 2 0 278.444 1.966 10 0 CDAERP [NH3+][C@H](CC(F)F)CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000903874149 626128121 /nfs/dbraw/zinc/12/81/21/626128121.db2.gz TXBHVCSPSKZTHN-QJPTWQEYSA-N 2 0 261.360 1.433 10 0 CDAERP CC(C)[C@@H](C)[N@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903880930 626131117 /nfs/dbraw/zinc/13/11/17/626131117.db2.gz XMPSEUMEJXHJTL-CHWSQXEVSA-N 2 0 265.405 1.679 10 0 CDAERP CCC(C)(C)[N@H+](C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903893277 626134843 /nfs/dbraw/zinc/13/48/43/626134843.db2.gz UIEWRWQLPDNVHG-LBPRGKRZSA-N 2 0 265.405 1.823 10 0 CDAERP CCC(CC)[C@@H](O)C[NH2+]C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903922653 626147471 /nfs/dbraw/zinc/14/74/71/626147471.db2.gz BJIFZSIIKPKSOU-BBRMVZONSA-N 2 0 296.459 1.233 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@@]3(CC3(F)F)C2)cnn1C ZINC000903931435 626151716 /nfs/dbraw/zinc/15/17/16/626151716.db2.gz DPMCEISGAUNSDM-TZMCWYRMSA-N 2 0 298.381 1.577 10 0 CDAERP C[C@@H]1C[N@H+](Cc2cnc(N3CCCC3)nc2)C[C@H]1CC[NH3+] ZINC000903977267 626169837 /nfs/dbraw/zinc/16/98/37/626169837.db2.gz NEJYUYXHQRECKU-UKRRQHHQSA-N 2 0 289.427 1.494 10 0 CDAERP Cc1nc([C@@H]2CC[N@@H+](C[C@@H]3CC[NH2+][C@H](C)C3)C2)no1 ZINC000903979087 626170398 /nfs/dbraw/zinc/17/03/98/626170398.db2.gz VDRWQBNZCYJIQY-RAIGVLPGSA-N 2 0 264.373 1.555 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000903964709 626171436 /nfs/dbraw/zinc/17/14/36/626171436.db2.gz UBAVMRLROFHDEP-YALNPMBYSA-N 2 0 273.424 1.704 10 0 CDAERP c1cc(N2CC[NH2+]CC2)oc1CN(C1CC1)[C@H]1CC[NH2+]C1 ZINC000904302638 626243124 /nfs/dbraw/zinc/24/31/24/626243124.db2.gz XQCWIAKMLRFQOO-AWEZNQCLSA-N 2 0 290.411 1.016 10 0 CDAERP c1cc(N2CC[NH2+]CC2)oc1CN1CCC2(CC[NH2+]2)CC1 ZINC000904373506 626269106 /nfs/dbraw/zinc/26/91/06/626269106.db2.gz ROYDVVQVXIEQAB-UHFFFAOYSA-N 2 0 290.411 1.017 10 0 CDAERP [NH3+][C@@H](Cc1nc(CC2CC[NH2+]CC2)no1)c1ccccc1 ZINC000905317670 626746155 /nfs/dbraw/zinc/74/61/55/626746155.db2.gz KPUFSNZKXIFWOK-AWEZNQCLSA-N 2 0 286.379 1.854 10 0 CDAERP C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)[C@H]1CCC[N@@H+]1C ZINC000912649170 630126008 /nfs/dbraw/zinc/12/60/08/630126008.db2.gz PRUDPIBLKIVYSF-SOUVJXGZSA-N 2 0 281.444 1.802 10 0 CDAERP C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC000912803464 630224328 /nfs/dbraw/zinc/22/43/28/630224328.db2.gz PJGMNLFZULQHMW-CABCVRRESA-N 2 0 293.455 1.661 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912920332 630289114 /nfs/dbraw/zinc/28/91/14/630289114.db2.gz TWGQJSNZSXKLMJ-KGLIPLIRSA-N 2 0 265.401 1.167 10 0 CDAERP C[NH+]1CCN(C[C@H](O)C[NH2+]CC2CCCCCCC2)CC1 ZINC000840745007 630682843 /nfs/dbraw/zinc/68/28/43/630682843.db2.gz BYIUFBHOXMCWAM-QGZVFWFLSA-N 2 0 297.487 1.545 10 0 CDAERP O[C@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)C1(O)CCCC1 ZINC000929698120 630708795 /nfs/dbraw/zinc/70/87/95/630708795.db2.gz YNESBXGPLRRXKI-LSDHHAIUSA-N 2 0 282.428 1.070 10 0 CDAERP O[C@@H](CCC1(O)CCC1)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000929698016 630708896 /nfs/dbraw/zinc/70/88/96/630708896.db2.gz XILGUGITFBWSFJ-CVEARBPZSA-N 2 0 296.455 1.460 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)NCCC[NH+]2CCCC[C@@H]2C)CC[N@@H+]1C ZINC000913925429 630894938 /nfs/dbraw/zinc/89/49/38/630894938.db2.gz YYDVJQWRHXAYLU-ZNMIVQPWSA-N 2 0 296.459 1.643 10 0 CDAERP OCc1c[nH+]ccc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000211957562 631017892 /nfs/dbraw/zinc/01/78/92/631017892.db2.gz BKCNBENQSNJUSK-UHFFFAOYSA-N 2 0 275.396 1.886 10 0 CDAERP CC(C)C[NH+]1CCN(C(=S)NC2CC[NH+](C)CC2)CC1 ZINC000920307211 632749667 /nfs/dbraw/zinc/74/96/67/632749667.db2.gz CSBJGCCOZGAWPG-UHFFFAOYSA-N 2 0 298.500 1.229 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC[N@@H+]1C ZINC000920658139 632821024 /nfs/dbraw/zinc/82/10/24/632821024.db2.gz CQLLAUOTISCVSA-OIYCOIKZSA-N 2 0 294.443 1.394 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001266306273 1158483633 /nfs/dbraw/zinc/48/36/33/1158483633.db2.gz KJRNYZAKTURNIJ-UHFFFAOYSA-N 2 0 255.406 1.317 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001691071675 1158887345 /nfs/dbraw/zinc/88/73/45/1158887345.db2.gz MYGGDDJULWTNGN-DOOVEFGSSA-N 2 0 293.455 1.827 10 0 CDAERP CC/C=C\CC[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001690356076 1175447465 /nfs/dbraw/zinc/44/74/65/1175447465.db2.gz VNNHEPPCQJKFEX-RLPXRCBWSA-N 2 0 293.455 1.921 10 0 CDAERP CC(C)COCC[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001690941779 1158808339 /nfs/dbraw/zinc/80/83/39/1158808339.db2.gz LJYVZDXXLTVUBY-HUUCEWRRSA-N 2 0 299.459 1.047 10 0 CDAERP CC(C)=CC[NH+]1CC[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001691165949 1158941611 /nfs/dbraw/zinc/94/16/11/1158941611.db2.gz JSHNHTLURKWISS-JKSUJKDBSA-N 2 0 293.455 1.733 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000250481821 1159309918 /nfs/dbraw/zinc/30/99/18/1159309918.db2.gz CQBCHDFQBWJEBB-CHWSQXEVSA-N 2 0 255.406 1.350 10 0 CDAERP COCCC[N@H+](C)CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001731791844 1159342139 /nfs/dbraw/zinc/34/21/39/1159342139.db2.gz MGEFCXPFVQEBPA-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)=CC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001269958584 1160080945 /nfs/dbraw/zinc/08/09/45/1160080945.db2.gz HIVWTDYZPNZKDJ-CABCVRRESA-N 2 0 281.444 1.873 10 0 CDAERP CC/C=C/CC[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001670845609 1160574203 /nfs/dbraw/zinc/57/42/03/1160574203.db2.gz IWFLPYROHKNGOM-SNAWJCMRSA-N 2 0 293.455 1.923 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)CC[NH2+]Cc1cc(C)ns1 ZINC001691542583 1160664102 /nfs/dbraw/zinc/66/41/02/1160664102.db2.gz MCOZLMOYOZDAFD-UHFFFAOYSA-N 2 0 298.456 1.341 10 0 CDAERP C[C@H](CNC(=[NH2+])NCCC1CC1)[NH+]1CCCCC1 ZINC000864455047 1164545416 /nfs/dbraw/zinc/54/54/16/1164545416.db2.gz FBSMNQCHEGZMBN-GFCCVEGCSA-N 2 0 252.406 1.775 10 0 CDAERP NC(=O)Cc1cccc2c1CC[N@H+](CCCCCC[NH3+])C2 ZINC000866684752 1164807564 /nfs/dbraw/zinc/80/75/64/1164807564.db2.gz SBZZBFHVOMNECP-UHFFFAOYSA-N 2 0 289.423 1.592 10 0 CDAERP CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000866685395 1164808262 /nfs/dbraw/zinc/80/82/62/1164808262.db2.gz KTNBQXNSWIPVIO-HNNXBMFYSA-N 2 0 296.459 1.550 10 0 CDAERP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866707872 1164814110 /nfs/dbraw/zinc/81/41/10/1164814110.db2.gz PEQDKONUXJRRKG-FZMZJTMJSA-N 2 0 255.406 1.160 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000870891864 1165228679 /nfs/dbraw/zinc/22/86/79/1165228679.db2.gz KLTZQOJMCMWMAQ-KLZNWCGWSA-N 2 0 291.439 1.591 10 0 CDAERP O=C1CC2(CCC2)[N@H+](CC[C@H]2CCC[NH2+]C2)CCN1 ZINC000872158158 1165388782 /nfs/dbraw/zinc/38/87/82/1165388782.db2.gz XZVIOKNLKBKJHS-CYBMUJFWSA-N 2 0 265.401 1.121 10 0 CDAERP CC1(C)CC[C@@H](CNC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])[NH2+]C1 ZINC000872309286 1165414451 /nfs/dbraw/zinc/41/44/51/1165414451.db2.gz QMFYBXWWEIKNEF-MJBXVCDLSA-N 2 0 281.444 1.788 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H]1[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925882572 1166749078 /nfs/dbraw/zinc/74/90/78/1166749078.db2.gz QYPMCYJKVSNLMG-DZUCGIPZSA-N 3 0 273.424 1.763 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H](CC[NH+](C)C)C1 ZINC001637880623 1166794677 /nfs/dbraw/zinc/79/46/77/1166794677.db2.gz VUDHLGLVVBZFIW-ZDUSSCGKSA-N 2 0 255.406 1.127 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)NOC2CC[NH+](C)CC2)C1 ZINC001640577805 1167036808 /nfs/dbraw/zinc/03/68/08/1167036808.db2.gz JZSAHUDLAMWDGV-ZDUSSCGKSA-N 2 0 283.416 1.249 10 0 CDAERP C[N@@H+]1C[C@H]2CCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@H]2C1 ZINC001645818030 1167521976 /nfs/dbraw/zinc/52/19/76/1167521976.db2.gz TVQONZXMYCYCQD-DOMZBBRYSA-N 2 0 297.362 1.043 10 0 CDAERP [NH3+][C@H]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC001645852543 1167537345 /nfs/dbraw/zinc/53/73/45/1167537345.db2.gz WZIAENTXCDWLEY-STQMWFEESA-N 2 0 291.370 1.927 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CCCC2(CC[NH+](C)CC2)C1 ZINC001417728177 1167648844 /nfs/dbraw/zinc/64/88/44/1167648844.db2.gz RCTWRCREZNGTMW-OAHLLOKOSA-N 2 0 295.471 1.909 10 0 CDAERP CCOCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)C(C)C ZINC001567866710 1169029559 /nfs/dbraw/zinc/02/95/59/1169029559.db2.gz QMWUOXQHQOXCCV-GJZGRUSLSA-N 2 0 297.443 1.038 10 0 CDAERP O=C(NC1(C[NH2+]CCF)CCCC1)[C@H]1C[NH+]2CCC1CC2 ZINC001567998400 1169113179 /nfs/dbraw/zinc/11/31/79/1169113179.db2.gz KLWUEVSQEFQETJ-AWEZNQCLSA-N 2 0 297.418 1.316 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)[C@@H]1CC[C@H]2C[C@@H](C)C[N@@H+]2C1 ZINC001649314397 1169191402 /nfs/dbraw/zinc/19/14/02/1169191402.db2.gz UMGHVLSFAHPPQJ-OAGGEKHMSA-N 2 0 295.471 1.907 10 0 CDAERP C[C@H](CC[NH2+]Cc1ccccn1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001649450767 1169259943 /nfs/dbraw/zinc/25/99/43/1169259943.db2.gz AJJOOPJPRVSGIH-UKRRQHHQSA-N 2 0 290.411 1.160 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2COC3(CCOCC3)O2)CC1(C)C ZINC001649924772 1169503498 /nfs/dbraw/zinc/50/34/98/1169503498.db2.gz ZJKZBKYQGHATIQ-KGLIPLIRSA-N 2 0 298.427 1.371 10 0 CDAERP O=C(C[NH+]1CCCC1)NC/C=C/C[NH2+]C/C=C/Cl ZINC001568964244 1169566535 /nfs/dbraw/zinc/56/65/35/1169566535.db2.gz PNGFIRPNYVWUCF-DJKAJFNQSA-N 2 0 271.792 1.097 10 0 CDAERP CC(C)=CC[NH2+]CC1CC(NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001570565416 1170191384 /nfs/dbraw/zinc/19/13/84/1170191384.db2.gz YUTWNRQFIZFBCW-UYSNPLJNSA-N 2 0 293.455 1.921 10 0 CDAERP CC(C)=CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001570729468 1170258110 /nfs/dbraw/zinc/25/81/10/1170258110.db2.gz AWTGHOMVZQWGMU-UONOGXRCSA-N 2 0 267.417 1.483 10 0 CDAERP C[NH+](C)CCCCC(=O)N[C@]12CCC[C@H]1[N@H+](CCF)CC2 ZINC001571504375 1170456970 /nfs/dbraw/zinc/45/69/70/1170456970.db2.gz CWJLCLHCMOWZGZ-ZBFHGGJFSA-N 2 0 299.434 1.801 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1nccs1)[NH+](C)C ZINC001668106900 1173369812 /nfs/dbraw/zinc/36/98/12/1173369812.db2.gz QIACJAHEYSIECB-NWDGAFQWSA-N 2 0 298.456 1.468 10 0 CDAERP C[C@@H](CC[NH2+]CCC1CC1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001668113514 1173370569 /nfs/dbraw/zinc/37/05/69/1173370569.db2.gz WRYJRBJRVBEQNW-DZGCQCFKSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)C[NH2+]C/C=C\CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001669200759 1173516559 /nfs/dbraw/zinc/51/65/59/1173516559.db2.gz IMILSAXADBJVFB-JBZXTQMFSA-N 2 0 281.444 1.777 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001669474063 1173553712 /nfs/dbraw/zinc/55/37/12/1173553712.db2.gz FDRIEMPRRAGCRP-OLZOCXBDSA-N 2 0 255.406 1.079 10 0 CDAERP COC[C@@H](C)[NH2+]CCCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001670271105 1173667773 /nfs/dbraw/zinc/66/77/73/1173667773.db2.gz DVDPDYJMFRNMBZ-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP CC[NH+]1CCC(C[NH2+]CCOC(F)(F)F)CC1 ZINC000089051768 1173968181 /nfs/dbraw/zinc/96/81/81/1173968181.db2.gz UMISEYWAFXWSAO-UHFFFAOYSA-N 2 0 254.296 1.844 10 0 CDAERP CCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H]1C ZINC001689311183 1175143518 /nfs/dbraw/zinc/14/35/18/1175143518.db2.gz LJOJGNQLRRLQHZ-QLFBSQMISA-N 2 0 281.444 1.850 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001690388349 1175457553 /nfs/dbraw/zinc/45/75/53/1175457553.db2.gz ICPRDHSMZVPLEV-CQSZACIVSA-N 2 0 269.433 1.422 10 0 CDAERP CC(C)CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001690433771 1175470502 /nfs/dbraw/zinc/47/05/02/1175470502.db2.gz ISVZPVQEWDFLOA-JKSUJKDBSA-N 2 0 295.471 1.812 10 0 CDAERP CC/C=C\CC[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001690755586 1175565549 /nfs/dbraw/zinc/56/55/49/1175565549.db2.gz IQPGKHLOBMIUNY-MJSXRHKHSA-N 2 0 293.455 1.877 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001690836083 1175586946 /nfs/dbraw/zinc/58/69/46/1175586946.db2.gz UJEUHALGFIHNRI-ZIAGYGMSSA-N 2 0 267.417 1.531 10 0 CDAERP COC[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC[NH+](C)C ZINC001692382370 1175754871 /nfs/dbraw/zinc/75/48/71/1175754871.db2.gz LFUCAQXDSGXTCN-ILXRZTDVSA-N 2 0 297.443 1.038 10 0 CDAERP C[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+]CCC2CC2)CC1 ZINC001698732526 1175906958 /nfs/dbraw/zinc/90/69/58/1175906958.db2.gz URVDMGAPJUITAO-MRXNPFEDSA-N 2 0 293.455 1.709 10 0 CDAERP CCC[NH2+]C[C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001698766886 1175924805 /nfs/dbraw/zinc/92/48/05/1175924805.db2.gz BKQBDDQHDVIVHR-ZDUSSCGKSA-N 2 0 271.449 1.716 10 0 CDAERP CC(C)OCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001698832592 1175954275 /nfs/dbraw/zinc/95/42/75/1175954275.db2.gz HCQBOYCMKCQWKW-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP C[C@H](C[NH2+]C/C=C/Cl)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001698844853 1175960164 /nfs/dbraw/zinc/96/01/64/1175960164.db2.gz RFEIDIBRIAYWQL-RPTYSRGTSA-N 2 0 287.835 1.517 10 0 CDAERP CC(C)C[C@H](C[NH2+]CCCF)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001698881020 1175975886 /nfs/dbraw/zinc/97/58/86/1175975886.db2.gz XLDSTIVCPVYNIR-UONOGXRCSA-N 2 0 287.423 1.418 10 0 CDAERP CCCC[NH2+]C[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001699403556 1176370717 /nfs/dbraw/zinc/37/07/17/1176370717.db2.gz BWUXVGNIYITAMM-JSGCOSHPSA-N 2 0 267.417 1.223 10 0 CDAERP CCC[NH2+]C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1CC1 ZINC001699589338 1176489749 /nfs/dbraw/zinc/48/97/49/1176489749.db2.gz IMUXRFVBKUYJET-AWEZNQCLSA-N 2 0 283.460 1.859 10 0 CDAERP CC[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1[NH2+]CCOC ZINC001699607285 1176497221 /nfs/dbraw/zinc/49/72/21/1176497221.db2.gz VAXNNWKOFGXEIQ-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP CCCCC[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001699670540 1176563030 /nfs/dbraw/zinc/56/30/30/1176563030.db2.gz WYKGPSXSJZFEJB-CQSZACIVSA-N 2 0 281.444 1.757 10 0 CDAERP CC[C@H](C(=O)N[C@@]1(C)CC[N@@H+](C(C)C)C1)[NH+](C)C ZINC001699818485 1176640873 /nfs/dbraw/zinc/64/08/73/1176640873.db2.gz BLFJGNYDSOFOIE-OCCSQVGLSA-N 2 0 255.406 1.316 10 0 CDAERP CC(C)=CC[NH2+]CC(C)(C)CN(C)C(=O)CC[NH+](C)C ZINC001700446262 1176932119 /nfs/dbraw/zinc/93/21/19/1176932119.db2.gz XHCHTEDCLIDPGZ-UHFFFAOYSA-N 2 0 283.460 1.979 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)CCCOC ZINC001700486914 1176974437 /nfs/dbraw/zinc/97/44/37/1176974437.db2.gz HHSOHHLVOADDGI-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP CCCCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001700608343 1177036308 /nfs/dbraw/zinc/03/63/08/1177036308.db2.gz ARUYGPAUJJXQHA-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CCC2CC2)C1)[NH+](C)C ZINC001700633054 1177045412 /nfs/dbraw/zinc/04/54/12/1177045412.db2.gz HIVHCFSMIFGLFN-JYJNAYRXSA-N 2 0 295.471 1.857 10 0 CDAERP CC[NH2+]CCC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001700673926 1177069471 /nfs/dbraw/zinc/06/94/71/1177069471.db2.gz ZPBHQOYZKLWYLU-LBPRGKRZSA-N 2 0 255.406 1.223 10 0 CDAERP CCC[NH2+]CCC[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001700681634 1177072551 /nfs/dbraw/zinc/07/25/51/1177072551.db2.gz NQEQEKQGXSABFR-KGLIPLIRSA-N 2 0 269.433 1.613 10 0 CDAERP COCCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001700854468 1177166947 /nfs/dbraw/zinc/16/69/47/1177166947.db2.gz SKAWURCMNDFKRE-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP CC[N@H+]1CC=C(CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001701063097 1177261590 /nfs/dbraw/zinc/26/15/90/1177261590.db2.gz YUPOWVCYWGREDZ-UHFFFAOYSA-N 2 0 279.428 1.631 10 0 CDAERP CC(C)CCC[NH2+][C@H]1C[C@@H](CNC(=O)Cc2c[nH]cn2)C1 ZINC001707071490 1177937692 /nfs/dbraw/zinc/93/76/92/1177937692.db2.gz IEQVDIVZTHWGEC-OKILXGFUSA-N 2 0 292.427 1.873 10 0 CDAERP CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@@H]2C1 ZINC001707224927 1177972801 /nfs/dbraw/zinc/97/28/01/1177972801.db2.gz AYUSNHHNJSROMH-KGLIPLIRSA-N 2 0 267.417 1.127 10 0 CDAERP CCC(CC)C[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001712940031 1178253640 /nfs/dbraw/zinc/25/36/40/1178253640.db2.gz WTIUBZUIUYGDRU-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP COCCC[N@H+](C)C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001713133937 1178387240 /nfs/dbraw/zinc/38/72/40/1178387240.db2.gz CZONFZNFERHDRM-OAHLLOKOSA-N 2 0 299.459 1.145 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001713441698 1178561910 /nfs/dbraw/zinc/56/19/10/1178561910.db2.gz VAXRVZQYCVLKIS-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP CC[NH+](CC)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001713489739 1178603274 /nfs/dbraw/zinc/60/32/74/1178603274.db2.gz GOOWRBJLWQIIOZ-UHFFFAOYSA-N 2 0 255.406 1.319 10 0 CDAERP CCC[NH+]1CC(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001713925509 1178850093 /nfs/dbraw/zinc/85/00/93/1178850093.db2.gz DRBSCNRCOCVMAB-STQMWFEESA-N 2 0 267.417 1.317 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCCC(C)C)C1)[NH+](C)C ZINC001713992985 1178914678 /nfs/dbraw/zinc/91/46/78/1178914678.db2.gz HWBUMIDHYJKYQU-QLFBSQMISA-N 2 0 283.460 2.000 10 0 CDAERP CC/C=C\CC[NH2+][C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001714242073 1179041913 /nfs/dbraw/zinc/04/19/13/1179041913.db2.gz UXYVZZNSWZUGSM-LMVHVUTASA-N 2 0 281.444 1.921 10 0 CDAERP CCC[NH2+]C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001714363982 1179106516 /nfs/dbraw/zinc/10/65/16/1179106516.db2.gz KVEDZRVUKGCXIS-ZDUSSCGKSA-N 2 0 267.417 1.176 10 0 CDAERP CN(CC[NH2+]CCF)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001714779624 1179393790 /nfs/dbraw/zinc/39/37/90/1179393790.db2.gz FPYMXAKRPASTTC-CHWSQXEVSA-N 2 0 273.396 1.124 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+]Cc1cncc(F)c1 ZINC001714798869 1179402098 /nfs/dbraw/zinc/40/20/98/1179402098.db2.gz YMRRSIKHMHKDRQ-UHFFFAOYSA-N 2 0 296.390 1.109 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001714910225 1179448409 /nfs/dbraw/zinc/44/84/09/1179448409.db2.gz VMWXEPSTGUDBQY-MRXNPFEDSA-N 2 0 293.455 1.829 10 0 CDAERP CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001715404081 1179658136 /nfs/dbraw/zinc/65/81/36/1179658136.db2.gz SRFLGEICZIQEPT-OLZOCXBDSA-N 2 0 255.406 1.175 10 0 CDAERP COCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)C(C)C ZINC001715476019 1179676372 /nfs/dbraw/zinc/67/63/72/1179676372.db2.gz NOHKYXGXHGSZFU-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CCCF ZINC001715580912 1179724227 /nfs/dbraw/zinc/72/42/27/1179724227.db2.gz YGGGBKHAIHEMJV-UONOGXRCSA-N 2 0 287.423 1.561 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CCCF ZINC001715877979 1179890710 /nfs/dbraw/zinc/89/07/10/1179890710.db2.gz NRMASWALWDHYTR-RGDDUWESSA-N 2 0 299.434 1.871 10 0 CDAERP CC(C)=CC[NH2+]C/C=C/CNC(=O)C12CC[NH+](CC1)C2 ZINC001715893255 1179901496 /nfs/dbraw/zinc/90/14/96/1179901496.db2.gz NDMJZNQXKKEPFC-ONEGZZNKSA-N 2 0 277.412 1.310 10 0 CDAERP C[C@@H](F)CC[NH2+]C/C=C/CNC(=O)C[NH+]1CCCC1 ZINC001715909683 1179908238 /nfs/dbraw/zinc/90/82/38/1179908238.db2.gz RBOWZLAKIVRMNT-YWVDXFKGSA-N 2 0 271.380 1.092 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC/C=C\C[NH2+]C[C@@H]1CCCCO1 ZINC001715913051 1179910110 /nfs/dbraw/zinc/91/01/10/1179910110.db2.gz MZRFVOCNEOUGFO-YVACAVLKSA-N 2 0 297.443 1.158 10 0 CDAERP CC[C@@H](F)C[NH2+]CCN(CC)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001716253870 1180122029 /nfs/dbraw/zinc/12/20/29/1180122029.db2.gz LIFXEIXQSWZDOH-QWHCGFSZSA-N 2 0 273.396 1.124 10 0 CDAERP O=C(CC[NH+]1CCCCC1)NC/C=C\C[NH2+]C/C=C/Cl ZINC001716380210 1180174257 /nfs/dbraw/zinc/17/42/57/1180174257.db2.gz YQHBNZVNBZQQLX-LGVURTOVSA-N 2 0 299.846 1.877 10 0 CDAERP CCC[NH2+]C[C@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CCO1 ZINC001717173033 1180560890 /nfs/dbraw/zinc/56/08/90/1180560890.db2.gz ULQLPUWAHTUOMF-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)[NH+](C)CC(=O)N1CCC[C@H]1C[N@@H+](C)C(C)C ZINC001717376166 1180635782 /nfs/dbraw/zinc/63/57/82/1180635782.db2.gz LICCFSQPOZWMJT-AWEZNQCLSA-N 2 0 269.433 1.658 10 0 CDAERP O=C(N[C@H]1C[C@H](C[NH2+]CCF)C1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001717649625 1180773672 /nfs/dbraw/zinc/77/36/72/1180773672.db2.gz RRLIJFZMDMKJDK-ZQDZILKHSA-N 2 0 297.418 1.457 10 0 CDAERP COCCC[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001717839286 1180888729 /nfs/dbraw/zinc/88/87/29/1180888729.db2.gz FQMWKYHKVARLFT-ZBFHGGJFSA-N 2 0 297.443 1.088 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C[NH2+]CCC2CC2)C1 ZINC001717879502 1180909652 /nfs/dbraw/zinc/90/96/52/1180909652.db2.gz PZNLWGGTVNSIHY-LSDHHAIUSA-N 2 0 281.444 1.613 10 0 CDAERP CCC[N@@H+]1CC[C@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001723484390 1181576104 /nfs/dbraw/zinc/57/61/04/1181576104.db2.gz NPMXGQLOKGLGGU-HNNXBMFYSA-N 2 0 281.444 1.853 10 0 CDAERP CCOCC[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001723543919 1181585230 /nfs/dbraw/zinc/58/52/30/1181585230.db2.gz AKUBHMRBAFDLQX-UHFFFAOYSA-N 2 0 297.443 1.136 10 0 CDAERP O=C(NCC1([NH2+]CCCF)CCC1)C12CCC[NH+]1CCC2 ZINC001724790078 1181755059 /nfs/dbraw/zinc/75/50/59/1181755059.db2.gz WABBEHLCTNQUKN-UHFFFAOYSA-N 2 0 297.418 1.603 10 0 CDAERP CCC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001725372219 1181979042 /nfs/dbraw/zinc/97/90/42/1181979042.db2.gz NJGDBCDAMNWWBT-BIQWYFBQSA-N 2 0 281.444 1.754 10 0 CDAERP CCCCC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001731410282 1182370776 /nfs/dbraw/zinc/37/07/76/1182370776.db2.gz DNZKKUNSQJRAHC-HUUCEWRRSA-N 2 0 281.444 1.613 10 0 CDAERP CC[NH2+]CCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001731960395 1182700242 /nfs/dbraw/zinc/70/02/42/1182700242.db2.gz FSSJGHFFEXYMCZ-CHWSQXEVSA-N 2 0 253.390 1.071 10 0 CDAERP CO[C@H](C)C[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)C(C)C ZINC001732015722 1182726527 /nfs/dbraw/zinc/72/65/27/1182726527.db2.gz WEJSHGGAOBRTOM-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001732152929 1182810660 /nfs/dbraw/zinc/81/06/60/1182810660.db2.gz FGCXYUNSZHCZTQ-RDBSUJKOSA-N 2 0 269.433 1.563 10 0 CDAERP CCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001732220287 1182865287 /nfs/dbraw/zinc/86/52/87/1182865287.db2.gz FBXBRJLAEMPFFF-KBPBESRZSA-N 2 0 269.433 1.755 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2CC[NH2+]CCF)C1 ZINC001732514227 1182993380 /nfs/dbraw/zinc/99/33/80/1182993380.db2.gz JWSCZOPVTMFYIJ-CABCVRRESA-N 2 0 299.434 1.659 10 0 CDAERP C[C@@H](CC[NH2+]Cc1ccsc1)NC(=O)CC[NH+](C)C ZINC001732726097 1183100806 /nfs/dbraw/zinc/10/08/06/1183100806.db2.gz KRVGYTMCOSSWOG-LBPRGKRZSA-N 2 0 283.441 1.684 10 0 CDAERP CC(C)[NH2+]C[C@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001733025094 1183244187 /nfs/dbraw/zinc/24/41/87/1183244187.db2.gz SBCPKQQPWGMXMY-AWEZNQCLSA-N 2 0 269.433 1.755 10 0 CDAERP CC(C)CC[NH2+]C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001733182602 1183321374 /nfs/dbraw/zinc/32/13/74/1183321374.db2.gz HTGYLQDKTADREX-HOCLYGCPSA-N 2 0 295.471 1.859 10 0 CDAERP CC[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001733296290 1183381348 /nfs/dbraw/zinc/38/13/48/1183381348.db2.gz GFKPVAVSWBGORW-HNNXBMFYSA-N 2 0 267.417 1.271 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+]CCF)CC2)C1 ZINC001733691886 1183497886 /nfs/dbraw/zinc/49/78/86/1183497886.db2.gz OJDUVKUXZHECKD-IHRRRGAJSA-N 2 0 285.407 1.172 10 0 CDAERP CC(C)[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCCF ZINC001734290467 1183714422 /nfs/dbraw/zinc/71/44/22/1183714422.db2.gz JJYRYTQLYVZDCM-UONOGXRCSA-N 2 0 287.423 1.418 10 0 CDAERP CCCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001734295342 1183716919 /nfs/dbraw/zinc/71/69/19/1183716919.db2.gz JKVBWXLFRPGELU-GJZGRUSLSA-N 2 0 281.444 1.707 10 0 CDAERP CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@@H](C[NH2+]CCCF)C1CC1 ZINC001734309803 1183722762 /nfs/dbraw/zinc/72/27/62/1183722762.db2.gz DSBIKPKSVZSIPO-HIFRSBDPSA-N 2 0 299.434 1.514 10 0 CDAERP CC(C)OCC[NH2+][C@@H](C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001734328243 1183734286 /nfs/dbraw/zinc/73/42/86/1183734286.db2.gz JSMVGOHFJZAKNZ-AWEZNQCLSA-N 2 0 299.459 1.332 10 0 CDAERP C[C@@H](C[NH+](C)C)NC(=O)N1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001772416233 1187220337 /nfs/dbraw/zinc/22/03/37/1187220337.db2.gz HBCRXKFXXBNMIN-LBPRGKRZSA-N 2 0 284.448 1.499 10 0 CDAERP CC[N@H+](CCNC(=O)N1CC[C@H]2[C@H](CC[NH+]2C)C1)C1CC1 ZINC000868218630 1164922804 /nfs/dbraw/zinc/92/28/04/1164922804.db2.gz IBANPENRSVMIOD-HIFRSBDPSA-N 2 0 294.443 1.206 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)N(C)CC[NH+](C)C)C1 ZINC001630412482 1166205629 /nfs/dbraw/zinc/20/56/29/1166205629.db2.gz AJMJSOMLHUWEIY-CYBMUJFWSA-N 2 0 255.406 1.127 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000925800201 811812965 /nfs/dbraw/zinc/81/29/65/811812965.db2.gz WQSLOQRHKBSBSG-APIJFGDWSA-N 3 0 251.418 1.448 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CC2(N3CCOCC3)CC2)C1 ZINC000925653322 812824009 /nfs/dbraw/zinc/82/40/09/812824009.db2.gz XDYQOBXMGNQIFF-ZIAGYGMSSA-N 2 0 281.444 1.347 10 0 CDAERP CN(CCN[C@@H]1CC[NH2+]C12CCC2)CC(F)(F)F ZINC000925476167 813386764 /nfs/dbraw/zinc/38/67/64/813386764.db2.gz GGAHRRHUUUZUTI-SNVBAGLBSA-N 2 0 265.323 1.355 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)[C@H](C)C1 ZINC000848569456 805002578 /nfs/dbraw/zinc/00/25/78/805002578.db2.gz ALKANYWQRGSXIE-BNOWGMLFSA-N 2 0 281.400 1.290 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CC[NH+](C)[C@@H]1C ZINC000922466771 805020326 /nfs/dbraw/zinc/02/03/26/805020326.db2.gz QKYOKOHXVNFDLI-HZSPNIEDSA-N 2 0 282.432 1.253 10 0 CDAERP C[C@H]1c2ccccc2C[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000852469491 805048499 /nfs/dbraw/zinc/04/84/99/805048499.db2.gz HJSYPRRYASUDED-JLJPHGGASA-N 2 0 274.408 1.761 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C[C@@H]1CCCOC1 ZINC000850353696 805072103 /nfs/dbraw/zinc/07/21/03/805072103.db2.gz KFPJMINFFFNXOF-GJZGRUSLSA-N 2 0 271.449 1.275 10 0 CDAERP NC(=O)C[C@@H]1CCCC[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923309494 805086190 /nfs/dbraw/zinc/08/61/90/805086190.db2.gz QBELLAUWBRDEGS-DKUMPPAJSA-N 2 0 279.428 1.637 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000724343863 805088763 /nfs/dbraw/zinc/08/87/63/805088763.db2.gz UQBZLTCNYMYFPO-APYLGABCSA-N 2 0 286.441 1.202 10 0 CDAERP [NH3+][C@H]1C[C@H](CNC(=O)C[C@@H]2[NH2+]Cc3ccccc32)C1 ZINC000870972534 805155163 /nfs/dbraw/zinc/15/51/63/805155163.db2.gz JYQNNRHWBWSKKE-JKOKRWQUSA-N 2 0 259.353 1.075 10 0 CDAERP C[C@H]([NH2+][C@@H]1CNOC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000925863483 805225593 /nfs/dbraw/zinc/22/55/93/805225593.db2.gz BYBVCKZZVRODOE-GXTWGEPZSA-N 2 0 279.384 1.181 10 0 CDAERP C[N@@H+]1CCCC12CCN(C[C@@H]1C[C@@H]3COC[C@@H]3O1)CC2 ZINC000930172349 805252444 /nfs/dbraw/zinc/25/24/44/805252444.db2.gz BKLBOOPRDOGHTD-ILXRZTDVSA-N 2 0 280.412 1.351 10 0 CDAERP C[N@H+](C[C@H](O)CN1CCC[C@@]2(CC2(F)F)C1)C1CC1 ZINC000844444624 805252739 /nfs/dbraw/zinc/25/27/39/805252739.db2.gz RIUUNRAFUIZWLN-QWHCGFSZSA-N 2 0 274.355 1.563 10 0 CDAERP Cc1ccccc1OCCCN1CC[NH2+]CC[NH2+]CC1 ZINC000923460600 805310587 /nfs/dbraw/zinc/31/05/87/805310587.db2.gz HKLBQNYHRRQGFA-UHFFFAOYSA-N 2 0 277.412 1.259 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)CC[N@@H+]1C ZINC000922177799 811089755 /nfs/dbraw/zinc/08/97/55/811089755.db2.gz JYXWYQKOOSNWFT-KGLIPLIRSA-N 2 0 296.459 1.500 10 0 CDAERP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2C[C@H]2[C@@H]2C[C@H]2C)CC[NH2+]CC1 ZINC000925824770 811165741 /nfs/dbraw/zinc/16/57/41/811165741.db2.gz VRIAEANUKSMDSH-ARILJUKYSA-N 2 0 294.439 1.942 10 0 CDAERP O[C@H](C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000923365145 811222132 /nfs/dbraw/zinc/22/21/32/811222132.db2.gz CAACNQPPWZLFCF-CVEARBPZSA-N 2 0 260.381 1.796 10 0 CDAERP [NH3+]C[C@H]1CN(CCC[NH2+]C2CC2)C[C@@H]1C(F)(F)F ZINC000923423306 811344727 /nfs/dbraw/zinc/34/47/27/811344727.db2.gz ALTMUVSWIHZYEL-ONGXEEELSA-N 2 0 265.323 1.198 10 0 CDAERP CC(C)[C@H]([NH3+])CN[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925689481 811349057 /nfs/dbraw/zinc/34/90/57/811349057.db2.gz AMFFOABCSCQHEG-ZNMIVQPWSA-N 2 0 253.434 1.728 10 0 CDAERP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000923385239 811353205 /nfs/dbraw/zinc/35/32/05/811353205.db2.gz YAEOPPFCOCZEOL-IHRRRGAJSA-N 2 0 250.386 1.629 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925845172 811360606 /nfs/dbraw/zinc/36/06/06/811360606.db2.gz XKAHDMDJAVDENT-DTZQCDIJSA-N 2 0 263.429 1.591 10 0 CDAERP CC[C@H](C[C@@](C)(O)CC)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000926202402 811388491 /nfs/dbraw/zinc/38/84/91/811388491.db2.gz LEUKGOFMGZFEDM-BBWFWOEESA-N 2 0 299.503 1.932 10 0 CDAERP [NH3+]CCCCCCn1cc([C@H]([NH3+])C2CCOCC2)nn1 ZINC000864623145 811390179 /nfs/dbraw/zinc/39/01/79/811390179.db2.gz PMKKSNVHMXIUOR-CQSZACIVSA-N 2 0 281.404 1.224 10 0 CDAERP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@@H](O)C2(C)C)cc1 ZINC000812778980 811578821 /nfs/dbraw/zinc/57/88/21/811578821.db2.gz SCKKGVBSHMJAFJ-MRXNPFEDSA-N 2 0 292.423 1.972 10 0 CDAERP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923496723 811636358 /nfs/dbraw/zinc/63/63/58/811636358.db2.gz CIFWZKCVPDJFON-XUXIUFHCSA-N 2 0 269.433 1.596 10 0 CDAERP CN(CC(F)(F)F)C(=O)C[N@H+](C)CCCCCC[NH3+] ZINC000872155832 811760502 /nfs/dbraw/zinc/76/05/02/811760502.db2.gz XJEUQKSFLVPLFH-UHFFFAOYSA-N 2 0 283.338 1.458 10 0 CDAERP O[C@H](C[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2)C[NH+]1CCCC1 ZINC000924758427 811788790 /nfs/dbraw/zinc/78/87/90/811788790.db2.gz VLUKUPFXZANYQO-YJNKXOJESA-N 2 0 250.386 1.387 10 0 CDAERP CC[NH+](CC)CCN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925500179 811810216 /nfs/dbraw/zinc/81/02/16/811810216.db2.gz ASHBFLJAXXPHRP-RDBSUJKOSA-N 2 0 253.434 1.694 10 0 CDAERP COCCC[N@H+](C)CCN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925520823 811816120 /nfs/dbraw/zinc/81/61/20/811816120.db2.gz YIIIMVGONJDJQF-SJORKVTESA-N 2 0 297.487 1.713 10 0 CDAERP [NH2+]=C(NCc1ccc2c[nH+]cn2c1)NC[C@H]1CCCO1 ZINC000849040319 811821660 /nfs/dbraw/zinc/82/16/60/811821660.db2.gz SWRYWHZCUXOPSM-CYBMUJFWSA-N 2 0 273.340 1.127 10 0 CDAERP CC1(C)CO[C@H](CC[NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000717347754 811887019 /nfs/dbraw/zinc/88/70/19/811887019.db2.gz OPUYTGROEWJYAG-UONOGXRCSA-N 2 0 270.417 1.238 10 0 CDAERP C[C@@H](c1ccc(F)cc1F)N1CC[NH2+]CC[NH2+]CC1 ZINC000923460186 811891392 /nfs/dbraw/zinc/89/13/92/811891392.db2.gz CNQAXCZJZKDHFO-NSHDSACASA-N 2 0 269.339 1.521 10 0 CDAERP C[C@H]1C[C@@H]1NC(=[NH2+])NCc1cccc(C[NH+](C)C)c1 ZINC000864452106 811898803 /nfs/dbraw/zinc/89/88/03/811898803.db2.gz LOCBHCGIXCLMIP-FZMZJTMJSA-N 2 0 260.385 1.771 10 0 CDAERP C[C@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C[NH+](C)C ZINC000816832908 811936080 /nfs/dbraw/zinc/93/60/80/811936080.db2.gz QJRYIDRLSLDFLL-IUODEOHRSA-N 2 0 287.423 1.513 10 0 CDAERP C[C@H]1C[N@H+](CC(=O)Nc2ccccc2)CC[C@H]1C[NH3+] ZINC000251849247 812006751 /nfs/dbraw/zinc/00/67/51/812006751.db2.gz RGOCYLNHGIWFJP-STQMWFEESA-N 2 0 261.369 1.542 10 0 CDAERP C[C@H]1C[N@H+](Cc2cc(=O)n3ccsc3n2)CC[C@@H]1C[NH3+] ZINC000923502595 812043839 /nfs/dbraw/zinc/04/38/39/812043839.db2.gz CHKNNVQVEGEHBC-WDEREUQCSA-N 2 0 292.408 1.173 10 0 CDAERP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)C1 ZINC000723648110 812057465 /nfs/dbraw/zinc/05/74/65/812057465.db2.gz SUDQOYPXBZEOPZ-QKGCVVFFSA-N 2 0 252.402 1.909 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCCC2(C[NH3+])CC2)C1 ZINC000846150373 812062921 /nfs/dbraw/zinc/06/29/21/812062921.db2.gz ZWUBPTFMOGUXQY-QWHCGFSZSA-N 2 0 282.432 1.287 10 0 CDAERP COC[C@]1(C)C[N@H+](CCCCCCC[NH3+])CCO1 ZINC000863576885 812072872 /nfs/dbraw/zinc/07/28/72/812072872.db2.gz UESHTJXQHXPGEB-AWEZNQCLSA-N 2 0 258.406 1.633 10 0 CDAERP COC1CC[NH+](C(C)(C)CNC(=[NH2+])NCCC2CC2)CC1 ZINC000864457253 812079345 /nfs/dbraw/zinc/07/93/45/812079345.db2.gz BXCJEYMMAAUPKQ-UHFFFAOYSA-N 2 0 296.459 1.790 10 0 CDAERP CC[C@@H](C(=O)N(CCOC)CC1CC[NH+](C)CC1)[NH+](C)C ZINC000869764435 812080411 /nfs/dbraw/zinc/08/04/11/812080411.db2.gz OBNKLDINWKPYAN-HNNXBMFYSA-N 2 0 299.459 1.143 10 0 CDAERP CC[C@H]1CCN(C(=[NH2+])NCC[NH+]2CCCCC2)C1 ZINC000864451869 812187852 /nfs/dbraw/zinc/18/78/52/812187852.db2.gz ZMTCXNOGWCRIHE-ZDUSSCGKSA-N 2 0 252.406 1.729 10 0 CDAERP CC(C)[N@H+](C)CC1CC[NH+](C[C@H](O)C2(O)CCC2)CC1 ZINC000929504833 812279131 /nfs/dbraw/zinc/27/91/31/812279131.db2.gz BQCLOCDEDOGBEU-HNNXBMFYSA-N 2 0 284.444 1.315 10 0 CDAERP C[C@H]1C[N@H+](CCO[C@H]2CCOC2)CCN1c1cc[nH+]cc1 ZINC000931682932 812359666 /nfs/dbraw/zinc/35/96/66/812359666.db2.gz ARJJRMAQIHNIRL-HOCLYGCPSA-N 2 0 291.395 1.398 10 0 CDAERP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H](CO)Cc1ccccc1)[NH2+]2 ZINC000709414787 812449915 /nfs/dbraw/zinc/44/99/15/812449915.db2.gz BMIAEHYPVGBJOJ-GWFJUFKTSA-N 2 0 274.408 1.709 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC[N@@H+]1C ZINC000925328810 812569171 /nfs/dbraw/zinc/56/91/71/812569171.db2.gz LDKZOZZFOYMKOD-ILXRZTDVSA-N 2 0 294.443 1.349 10 0 CDAERP COC[C@@]1(c2nc(-c3ccn4c[nH+]cc4c3)no2)CC[NH2+]C1 ZINC000823163987 812798014 /nfs/dbraw/zinc/79/80/14/812798014.db2.gz NQVNMOGFSCASEO-OAHLLOKOSA-N 2 0 299.334 1.262 10 0 CDAERP CC[C@@H]1CCN(C(=[NH2+])NC[C@@H]2CCC[N@@H+]2CC)C1 ZINC000864452460 812805200 /nfs/dbraw/zinc/80/52/00/812805200.db2.gz QUHGSTMUMRXTKV-OLZOCXBDSA-N 2 0 252.406 1.727 10 0 CDAERP O=C(CCC12CC(C1)C[NH2+]2)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000870853291 812813224 /nfs/dbraw/zinc/81/32/24/812813224.db2.gz WTPKBVUPLCEJBK-GULBITTBSA-N 2 0 291.439 1.509 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)N(C)OC)[C@@H](C)C1 ZINC000799139803 812825554 /nfs/dbraw/zinc/82/55/54/812825554.db2.gz LLMISCGNWWTDTG-QWHCGFSZSA-N 2 0 271.405 1.058 10 0 CDAERP Cn1cc(-c2cc(C[N@@H+]3CC[C@@H](CC[NH3+])C3)on2)cn1 ZINC000923480152 812830340 /nfs/dbraw/zinc/83/03/40/812830340.db2.gz FZZZXRUKHAUWGH-LLVKDONJSA-N 2 0 275.356 1.246 10 0 CDAERP C[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)C1CC1 ZINC000925858720 812839445 /nfs/dbraw/zinc/83/94/45/812839445.db2.gz VZFPVHBTYGNTGC-ZYHUDNBSSA-N 2 0 252.358 1.060 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1cc(C2CC2)n(C)n1 ZINC000925872985 812839716 /nfs/dbraw/zinc/83/97/16/812839716.db2.gz CKWKVVLNRLXIOI-GFCCVEGCSA-N 2 0 266.389 1.141 10 0 CDAERP Cn1ncc2cc(C[NH2+]C[C@H]3C[C@@H]([NH+](C)C)C3)cnc21 ZINC000865616465 812847348 /nfs/dbraw/zinc/84/73/48/812847348.db2.gz IOZMRAWCUCRRJZ-VDISTLRHSA-N 2 0 273.384 1.398 10 0 CDAERP C[C@@H]([NH2+][C@H]1CCNC1=O)c1cccc(C[NH+](C)C)c1 ZINC000926672843 812887089 /nfs/dbraw/zinc/88/70/89/812887089.db2.gz NQZFQOMKZYJQNY-RISCZKNCSA-N 2 0 261.369 1.287 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925540428 813338503 /nfs/dbraw/zinc/33/85/03/813338503.db2.gz GJFDLSYOOIJBQW-HZSPNIEDSA-N 3 0 269.433 1.203 10 0 CDAERP C[C@H](C[NH2+][C@@H](C)C1CC(F)(F)C1)N1CC[NH+](C)CC1 ZINC000862277012 813706674 /nfs/dbraw/zinc/70/66/74/813706674.db2.gz LQHLGDCBKDZWPR-NEPJUHHUSA-N 2 0 275.387 1.646 10 0 CDAERP [NH2+]=C(NCCCC[NH+]1CCOCC1)NC1CCCCCC1 ZINC000092277410 813729750 /nfs/dbraw/zinc/72/97/50/813729750.db2.gz PXLIZTQSJRKEBG-UHFFFAOYSA-N 2 0 296.459 1.726 10 0 CDAERP CC[NH+](CC)CCSCC(=O)NC[C@@H]1CC[N@@H+]1CC ZINC000922163182 813756959 /nfs/dbraw/zinc/75/69/59/813756959.db2.gz LZDLUYMEUAPXOB-ZDUSSCGKSA-N 2 0 287.473 1.272 10 0 CDAERP c1nnnn1CC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000877959873 813782682 /nfs/dbraw/zinc/78/26/82/813782682.db2.gz TXPHPCBUVDUWJN-UHFFFAOYSA-N 2 0 292.431 1.261 10 0 CDAERP C[C@H]1CC2(CC([NH2+]CCOCC[NH+](C)C)C2)CO1 ZINC000926253551 813804847 /nfs/dbraw/zinc/80/48/47/813804847.db2.gz GIHKFZOCWRWVEQ-HSBZDZAISA-N 2 0 256.390 1.112 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)N(C)C2CCCCC2)CC[C@@H]1C[NH3+] ZINC000923507256 813826668 /nfs/dbraw/zinc/82/66/68/813826668.db2.gz JMCXMUPDIDKQBP-ZIAGYGMSSA-N 2 0 281.444 1.694 10 0 CDAERP C[C@H]1C[C@H](N2CCc3sc(C[NH3+])nc3C2)C[N@@H+]1C1CC1 ZINC000710205129 813843599 /nfs/dbraw/zinc/84/35/99/813843599.db2.gz ASWBMVHFRNEGBM-JQWIXIFHSA-N 2 0 292.452 1.585 10 0 CDAERP CN(C)[C@@H]1[C@H]2C[N@@H+](C3CC(OC(C)(C)C)C3)C[C@H]21 ZINC000931280831 813862571 /nfs/dbraw/zinc/86/25/71/813862571.db2.gz KPADQXCKBGPVNC-TWASESMYSA-N 2 0 252.402 1.824 10 0 CDAERP COC[C@H](C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)C(C)C ZINC000721963732 813869835 /nfs/dbraw/zinc/86/98/35/813869835.db2.gz RZKXVCKKKMNBGT-ZQDZILKHSA-N 2 0 254.418 1.964 10 0 CDAERP C[NH+](C)CCCNC(=S)NCc1ccc2c[nH+]cn2c1 ZINC000840843241 813872058 /nfs/dbraw/zinc/87/20/58/813872058.db2.gz CLYPTMDPJNCITA-UHFFFAOYSA-N 2 0 291.424 1.250 10 0 CDAERP CCCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923498202 813894057 /nfs/dbraw/zinc/89/40/57/813894057.db2.gz JYBGSXPHYFJHFA-RDBSUJKOSA-N 2 0 269.433 1.598 10 0 CDAERP C[NH+](C)CC1(O)CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC000710572529 813897905 /nfs/dbraw/zinc/89/79/05/813897905.db2.gz DCMWSOAKENUZMI-AWEZNQCLSA-N 2 0 270.417 1.334 10 0 CDAERP CCOC(=O)[C@@]1(F)C[N@H+](CC2CC[NH2+]CC2)CC12CCC2 ZINC000852733899 813995904 /nfs/dbraw/zinc/99/59/04/813995904.db2.gz ASDYOYUAPXILCD-INIZCTEOSA-N 2 0 298.402 1.743 10 0 CDAERP C[C@@H]1C[C@H](C)[N@H+](CCc2ccns2)C[C@H]1C[NH3+] ZINC000719878919 813996915 /nfs/dbraw/zinc/99/69/15/813996915.db2.gz MGGPDWIQMWTYAG-GRYCIOLGSA-N 2 0 253.415 1.991 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH2+]CC2(C)C)C1 ZINC000711282474 814039327 /nfs/dbraw/zinc/03/93/27/814039327.db2.gz OKQWYBQNANWEAC-CHWSQXEVSA-N 2 0 267.417 1.079 10 0 CDAERP CC[C@@H]([NH2+]C[C@H]1CC2(C[NH2+]C2)CO1)c1c(C)noc1C ZINC000923379279 814095637 /nfs/dbraw/zinc/09/56/37/814095637.db2.gz OGVNNOLBHNQWOB-CHWSQXEVSA-N 2 0 279.384 1.711 10 0 CDAERP [NH3+]C[C@H]1CCCc2ccc(C(=O)NC[C@H]3C[C@@H]([NH3+])C3)cc21 ZINC000870963327 814117638 /nfs/dbraw/zinc/11/76/38/814117638.db2.gz JYONIVVQWUQAQZ-DFBGVHRSSA-N 2 0 287.407 1.532 10 0 CDAERP C[C@@H](Cn1ccnc1)NC(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000865343970 814217072 /nfs/dbraw/zinc/21/70/72/814217072.db2.gz WMMREVSAALYJKR-STQMWFEESA-N 2 0 293.415 1.349 10 0 CDAERP COc1c[nH+]ccc1N1CCN(C[C@@H]2CCC=CO2)CC1 ZINC000793370023 814314566 /nfs/dbraw/zinc/31/45/66/814314566.db2.gz MZVLKRJCVSNLAU-AWEZNQCLSA-N 2 0 289.379 1.905 10 0 CDAERP [NH3+]CCCCCCC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000834805288 814354861 /nfs/dbraw/zinc/35/48/61/814354861.db2.gz NUUURGWVMYVLFX-OKILXGFUSA-N 2 0 267.417 1.354 10 0 CDAERP C[C@]1(C[NH+]2CCC([C@@H](O)c3ncc[nH]3)CC2)CC[NH2+]C1 ZINC000843120138 814386117 /nfs/dbraw/zinc/38/61/17/814386117.db2.gz ZPMQTWYGZJLMOQ-HIFRSBDPSA-N 2 0 278.400 1.155 10 0 CDAERP C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000926566600 814495484 /nfs/dbraw/zinc/49/54/84/814495484.db2.gz JQISSKRLIPTYAC-WCQYABFASA-N 2 0 272.352 1.481 10 0 CDAERP CC(C)C[C@@H](O)C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925581468 814510691 /nfs/dbraw/zinc/51/06/91/814510691.db2.gz RSXNKSCXCBADEA-MQYQWHSLSA-N 2 0 254.418 1.760 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)CCCCCC[NH3+])C1 ZINC000848431063 814512699 /nfs/dbraw/zinc/51/26/99/814512699.db2.gz FRSNBWDANOCPRS-BETUJISGSA-N 2 0 255.406 1.352 10 0 CDAERP C[C@H]1C[N@H+](CCCS(=O)(=O)C(C)(C)C)CC[C@H]1C[NH3+] ZINC000718670331 814519525 /nfs/dbraw/zinc/51/95/25/814519525.db2.gz RNKKMOVJYVRMPJ-STQMWFEESA-N 2 0 290.473 1.507 10 0 CDAERP COC(=O)[C@H]1C[C@@H]([N@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923394849 814589553 /nfs/dbraw/zinc/58/95/53/814589553.db2.gz GVKVKXYFYLLVOG-AWCCCEEUSA-N 2 0 280.412 1.791 10 0 CDAERP C[N@@H+]1CCN(C(=O)CC[C@@H]2CCC[NH2+]2)CCC1(C)C ZINC000712677906 814602054 /nfs/dbraw/zinc/60/20/54/814602054.db2.gz KIDPMDHNOOIRDK-ZDUSSCGKSA-N 2 0 267.417 1.461 10 0 CDAERP COc1ccc([C@H](CO)C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925684718 814622170 /nfs/dbraw/zinc/62/21/70/814622170.db2.gz CNYYCXHTEARLQV-BPUTZDHNSA-N 2 0 290.407 1.631 10 0 CDAERP C[C@@H](N[C@H]1C[NH2+]CCC1(F)F)C1CC[NH+](C)CC1 ZINC000817980359 814694909 /nfs/dbraw/zinc/69/49/09/814694909.db2.gz KYBCZKZDHQJTSL-PWSUYJOCSA-N 2 0 261.360 1.304 10 0 CDAERP C1CC1C([NH2+][C@@H]1CNCC2(CCOCC2)C1)C1CC1 ZINC000925799369 814725513 /nfs/dbraw/zinc/72/55/13/814725513.db2.gz UDFXWDSRPVUKBA-AWEZNQCLSA-N 2 0 264.413 1.923 10 0 CDAERP C[C@H](CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)[N@@H+]1CCC[C@@H](C)C1 ZINC000870866074 816740280 /nfs/dbraw/zinc/74/02/80/816740280.db2.gz LWCQHLQGVOUPRE-FAHYXWLWSA-N 2 0 279.428 1.350 10 0 CDAERP COc1ccc(OCC[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cc1 ZINC000165318707 816805704 /nfs/dbraw/zinc/80/57/04/816805704.db2.gz ALEAUFIZTOPVAE-ZIAGYGMSSA-N 2 0 278.396 1.991 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000925536203 816827165 /nfs/dbraw/zinc/82/71/65/816827165.db2.gz CJMCGKHXSSGUSS-BFHYXJOUSA-N 2 0 265.445 1.966 10 0 CDAERP COC(=O)[C@]12CCC[C@H]1[N@H+](CCCc1cncn1C)CC2 ZINC000880183607 816845951 /nfs/dbraw/zinc/84/59/51/816845951.db2.gz IQCLGSNJUSUYSW-ZBFHGGJFSA-N 2 0 291.395 1.770 10 0 CDAERP COCCCC[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720816059 816857435 /nfs/dbraw/zinc/85/74/35/816857435.db2.gz MPYBPSJKCOVSCK-VHSXEESVSA-N 2 0 254.296 1.482 10 0 CDAERP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000816952878 816858404 /nfs/dbraw/zinc/85/84/04/816858404.db2.gz UQVWGOVCRMAVMR-XEZPLFJOSA-N 2 0 297.418 1.361 10 0 CDAERP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724586886 816866329 /nfs/dbraw/zinc/86/63/29/816866329.db2.gz WIKWAPDWYFHQGQ-BRYMPLLLSA-N 2 0 266.385 1.135 10 0 CDAERP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCOC1CCOCC1 ZINC000925878432 816958934 /nfs/dbraw/zinc/95/89/34/816958934.db2.gz VHDVTIJSCVHBKW-ZIAGYGMSSA-N 2 0 256.390 1.432 10 0 CDAERP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866707875 817065205 /nfs/dbraw/zinc/06/52/05/817065205.db2.gz PEQDKONUXJRRKG-SMDDNHRTSA-N 2 0 255.406 1.160 10 0 CDAERP CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)C1 ZINC000721941001 817081734 /nfs/dbraw/zinc/08/17/34/817081734.db2.gz DJTNNWDKKRSSFS-BYNSBNAKSA-N 2 0 252.402 1.875 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@]2(C(F)(F)F)CCCN2)C1 ZINC000925852844 817231978 /nfs/dbraw/zinc/23/19/78/817231978.db2.gz HSMKNPXOLMGKTK-VWYCJHECSA-N 2 0 265.323 1.530 10 0 CDAERP [NH3+]Cc1cccc(C(=O)N[C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000843515095 817272798 /nfs/dbraw/zinc/27/27/98/817272798.db2.gz YWHRCUOTOBMQOY-CQSZACIVSA-N 2 0 273.380 1.550 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)CCC23CC(C2)C[NH2+]3)C1 ZINC000870875180 817364123 /nfs/dbraw/zinc/36/41/23/817364123.db2.gz AZTPUBIMJZDXCK-HLIUYOAVSA-N 2 0 279.428 1.365 10 0 CDAERP CC[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)[C@H]1CCCOC1 ZINC000872022732 817510717 /nfs/dbraw/zinc/51/07/17/817510717.db2.gz ZBLGHFQLFWYEHP-JKSUJKDBSA-N 2 0 297.487 1.807 10 0 CDAERP C[NH+](C)CC(C)(C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000837245974 817564833 /nfs/dbraw/zinc/56/48/33/817564833.db2.gz MLVXQSOMVRQXJJ-HNNXBMFYSA-N 2 0 287.423 1.655 10 0 CDAERP CC[N@@H+]1CC[C@@H](CN[C@H](C)c2cc(C)nn2C)C1 ZINC000793521749 817576937 /nfs/dbraw/zinc/57/69/37/817576937.db2.gz LUDZAURYYNGIHH-OLZOCXBDSA-N 2 0 250.390 1.721 10 0 CDAERP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000703839969 817747961 /nfs/dbraw/zinc/74/79/61/817747961.db2.gz YLUCWCMQQMWPLD-MCIONIFRSA-N 2 0 270.442 1.413 10 0 CDAERP C[C@H](O)[C@H](O)C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000865739032 817758295 /nfs/dbraw/zinc/75/82/95/817758295.db2.gz MPZRSMNGJOVCBK-GOEBONIOSA-N 2 0 294.439 1.476 10 0 CDAERP C[NH+]1CCC(NC(=S)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000849266683 817803747 /nfs/dbraw/zinc/80/37/47/817803747.db2.gz AGDCQDZKZBONGK-ZDUSSCGKSA-N 2 0 298.500 1.418 10 0 CDAERP Cc1cnc(CC[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)cn1 ZINC000925686291 817804703 /nfs/dbraw/zinc/80/47/03/817804703.db2.gz STLXLXGGQYSHCG-TZMCWYRMSA-N 2 0 262.401 1.823 10 0 CDAERP C[C@@H](NC(=O)CCC12CC(C1)C[NH2+]2)[C@@H]1CCC[NH2+]C1 ZINC000870933914 817806923 /nfs/dbraw/zinc/80/69/23/817806923.db2.gz ARJDHYJDHYSGAJ-KLNSDEMFSA-N 2 0 265.401 1.023 10 0 CDAERP CC1(C)[C@H]([NH2+]C[C@H](CO)Cc2ccco2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925475354 817807694 /nfs/dbraw/zinc/80/76/94/817807694.db2.gz MBGSDCIFUMHEBL-DMRZNYOFSA-N 2 0 292.423 1.797 10 0 CDAERP C[C@H](CCCc1cccnc1)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925817088 817811191 /nfs/dbraw/zinc/81/11/91/817811191.db2.gz MWPUJEQEBQQIBT-OAHLLOKOSA-N 2 0 290.455 1.806 10 0 CDAERP COC(=O)c1cc(C[NH2+][C@H](C)CCCC[NH3+])n(C)c1C ZINC000925768499 817844263 /nfs/dbraw/zinc/84/42/63/817844263.db2.gz JUSLKIRSQCLVHM-LLVKDONJSA-N 2 0 281.400 1.727 10 0 CDAERP [NH3+]CCCCCCNC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000852893871 817845574 /nfs/dbraw/zinc/84/55/74/817845574.db2.gz BPAHXORJADNNBF-OAHLLOKOSA-N 2 0 275.396 1.856 10 0 CDAERP COc1ccccc1[C@H](O)C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000817894421 817879585 /nfs/dbraw/zinc/87/95/85/817879585.db2.gz YRKIIIZAHWWCQZ-NTZNESFSSA-N 2 0 252.358 1.444 10 0 CDAERP C(CN1CCC[C@]12CC[NH2+]C2)C[NH+]1CCCCC1 ZINC000257679163 817891653 /nfs/dbraw/zinc/89/16/53/817891653.db2.gz KPDSMNDORWKLBO-OAHLLOKOSA-N 2 0 251.418 1.690 10 0 CDAERP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925513710 817945641 /nfs/dbraw/zinc/94/56/41/817945641.db2.gz ALGDAFHZOCJHQN-COLVAYQJSA-N 2 0 276.428 1.827 10 0 CDAERP COC1CC(C[N@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000720855292 817973268 /nfs/dbraw/zinc/97/32/68/817973268.db2.gz BEHUWYODUXNOKM-YIYTYNFBSA-N 2 0 266.307 1.480 10 0 CDAERP CCN(CCC[NH+](CC)CC)C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713213732 817986336 /nfs/dbraw/zinc/98/63/36/817986336.db2.gz JRWMGPKLJIUWSJ-YCPHGPKFSA-N 2 0 281.444 1.694 10 0 CDAERP CC[C@H](F)C[NH2+]CCCN(C)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001498647701 1167772302 /nfs/dbraw/zinc/77/23/02/1167772302.db2.gz LPJVFBFQNZFTOF-HOCLYGCPSA-N 2 0 299.434 1.659 10 0 CDAERP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CCCCCF ZINC001502759195 1167775210 /nfs/dbraw/zinc/77/52/10/1167775210.db2.gz CDANDCMWLVZIJQ-LSDHHAIUSA-N 2 0 299.434 1.659 10 0 CDAERP CC[C@H](C(=O)N(C)CCC[NH2+]CC(C)C)[NH+](C)C ZINC001268915590 903242375 /nfs/dbraw/zinc/24/23/75/903242375.db2.gz ONMHPFYYCIYTBA-CYBMUJFWSA-N 2 0 257.422 1.421 10 0 CDAERP C[N@@H+]1CC[C@H]1CNC(=O)N1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001646950622 1168282746 /nfs/dbraw/zinc/28/27/46/1168282746.db2.gz QGJPUOAUZFSLMZ-LBPRGKRZSA-N 2 0 282.432 1.253 10 0 CDAERP CO[C@H](C)C[N@H+](C)CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001566497735 1168307263 /nfs/dbraw/zinc/30/72/63/1168307263.db2.gz FNBSTBPCEONCTM-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)CC[NH+](C)C)cc1 ZINC001483677110 912596193 /nfs/dbraw/zinc/59/61/93/912596193.db2.gz NWLAQEUDYXONNE-INIZCTEOSA-N 2 0 289.423 1.637 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001567128903 1168585487 /nfs/dbraw/zinc/58/54/87/1168585487.db2.gz XIOWRUNAMJSLNQ-KGLIPLIRSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]CC2CC2)C1 ZINC001567155648 1168600318 /nfs/dbraw/zinc/60/03/18/1168600318.db2.gz UDVJYHNYBROVIT-CQSZACIVSA-N 2 0 267.417 1.175 10 0 CDAERP CN(CC[NH2+]CCC(C)(C)C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001567496770 1168812493 /nfs/dbraw/zinc/81/24/93/1168812493.db2.gz XFCNDPHPUWLAHL-HNNXBMFYSA-N 2 0 295.471 1.812 10 0 CDAERP C[C@H]([NH2+][C@@H]1CCCC12CC2)[C@H]1CN(C)CCN1C ZINC000706953768 895907197 /nfs/dbraw/zinc/90/71/97/895907197.db2.gz BAMZTCSVKHUJPU-BFHYXJOUSA-N 2 0 251.418 1.543 10 0 CDAERP Cc1cccnc1C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001266803854 896078024 /nfs/dbraw/zinc/07/80/24/896078024.db2.gz UJQLRIUCUVNTHX-OAHLLOKOSA-N 2 0 290.411 1.032 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC(C)C ZINC001266995538 896517189 /nfs/dbraw/zinc/51/71/89/896517189.db2.gz UYTNYIFSGJKMPF-KBPBESRZSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@H](CN[C@H]1C[C@H]([NH3+])C12CCC2)C[NH+]1CCCC1 ZINC000405352033 897601362 /nfs/dbraw/zinc/60/13/62/897601362.db2.gz ORVPLPFPBYUKJZ-RDBSUJKOSA-N 2 0 251.418 1.578 10 0 CDAERP CCCC[N@H+](CC)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001481012039 898488884 /nfs/dbraw/zinc/48/88/84/898488884.db2.gz SETSJXPGBPHENC-AWEZNQCLSA-N 2 0 269.433 1.566 10 0 CDAERP CC(C)[N@H+](CCNC(=O)CC[C@@H]1CCC[NH+]1C)C1CC1 ZINC001481173133 899050238 /nfs/dbraw/zinc/05/02/38/899050238.db2.gz SEZXLVBRDNAMRW-AWEZNQCLSA-N 2 0 281.444 1.850 10 0 CDAERP OCCCCC[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001176880302 914332858 /nfs/dbraw/zinc/33/28/58/914332858.db2.gz UNFUEMCSSZWUIQ-UHFFFAOYSA-N 2 0 284.444 1.462 10 0 CDAERP CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001267933086 900001174 /nfs/dbraw/zinc/00/11/74/900001174.db2.gz AFYJCZDTDLNAKX-MRXNPFEDSA-N 2 0 289.423 1.897 10 0 CDAERP CCCCCC[NH2+]CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001481304308 900282371 /nfs/dbraw/zinc/28/23/71/900282371.db2.gz PTJRPXLNRFWACV-UHFFFAOYSA-N 2 0 281.444 1.711 10 0 CDAERP CCC(CC)C[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001481314213 900353733 /nfs/dbraw/zinc/35/37/33/900353733.db2.gz BFJFRIDDIXYCQU-AWEZNQCLSA-N 2 0 269.433 1.422 10 0 CDAERP CC[C@H](C(=O)N(C)C1CC([NH2+]CCOC(C)C)C1)[NH+](C)C ZINC001279249088 900715705 /nfs/dbraw/zinc/71/57/05/900715705.db2.gz GGQFBUGEMLRXET-YMAMQOFZSA-N 2 0 299.459 1.331 10 0 CDAERP CCC[NH2+]C[C@H](CC(C)C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001268114980 901326193 /nfs/dbraw/zinc/32/61/93/901326193.db2.gz LCAPGMGQNCOYKH-GJZGRUSLSA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001567741077 1168945602 /nfs/dbraw/zinc/94/56/02/1168945602.db2.gz HJUSODWINQHGSH-CVEARBPZSA-N 2 0 293.455 1.685 10 0 CDAERP CC(C)=CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001268227324 901604328 /nfs/dbraw/zinc/60/43/28/901604328.db2.gz SNGHIWLAGSAUQU-GJZGRUSLSA-N 2 0 281.444 1.635 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001481740316 901986187 /nfs/dbraw/zinc/98/61/87/901986187.db2.gz OGFFFZSQIYQHSK-QWHCGFSZSA-N 2 0 273.396 1.219 10 0 CDAERP CC(C)=CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268424464 902039391 /nfs/dbraw/zinc/03/93/91/902039391.db2.gz VEXZDRIDCJDNQL-UONOGXRCSA-N 2 0 267.417 1.389 10 0 CDAERP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001481847322 902213025 /nfs/dbraw/zinc/21/30/25/902213025.db2.gz COGKBWWNZKSNCJ-KGLIPLIRSA-N 2 0 299.459 1.238 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C2CC2)[NH+](C)C)C1 ZINC001361667966 902459397 /nfs/dbraw/zinc/45/93/97/902459397.db2.gz VCEKHQWTQJTKMQ-HUUCEWRRSA-N 2 0 281.444 1.563 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+]CCC(F)(F)F)C1 ZINC001268625416 902838049 /nfs/dbraw/zinc/83/80/49/902838049.db2.gz HUKVLJSRMODLMX-QUCGXOGASA-N 2 0 293.333 1.153 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C[NH2+]CCC(F)(F)F)[NH+](C)C ZINC001268711124 902996534 /nfs/dbraw/zinc/99/65/34/902996534.db2.gz AGJROTIKEHUBQD-VHSXEESVSA-N 2 0 283.338 1.373 10 0 CDAERP CC/C=C\CC[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001268715339 903003109 /nfs/dbraw/zinc/00/31/09/903003109.db2.gz HDPQRSXAMLVRDS-LAWSMPECSA-N 2 0 267.417 1.389 10 0 CDAERP CN(CCC[NH2+]C/C=C/Cl)C(=O)CC[NH+](C)C ZINC001268834774 903170134 /nfs/dbraw/zinc/17/01/34/903170134.db2.gz CZGGYCAGMQGTFZ-QPJJXVBHSA-N 2 0 261.797 1.129 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001269082998 903406295 /nfs/dbraw/zinc/40/62/95/903406295.db2.gz AKEKHSPAGYPIDN-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001269193142 903524500 /nfs/dbraw/zinc/52/45/00/903524500.db2.gz BEQBZEYVBGJTPI-ZYOQUQOHSA-N 2 0 279.428 1.485 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@@](C)(C[NH2+]CCCF)C2CC2)C1 ZINC001269644502 904006195 /nfs/dbraw/zinc/00/61/95/904006195.db2.gz GPFJYNUYSQWIRE-BBRMVZONSA-N 2 0 299.434 1.562 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]CCCF)CCN1C(=O)C[NH+]1CCCC1 ZINC001269982191 904246995 /nfs/dbraw/zinc/24/69/95/904246995.db2.gz ULBQGCLXDYWUPO-KBPBESRZSA-N 2 0 285.407 1.411 10 0 CDAERP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]CC1CC1 ZINC001482427729 905367341 /nfs/dbraw/zinc/36/73/41/905367341.db2.gz CHXOCVGKEBKLBY-GXTWGEPZSA-N 2 0 267.417 1.175 10 0 CDAERP COCCCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001482433001 905388781 /nfs/dbraw/zinc/38/87/81/905388781.db2.gz IWRHSOXYMNVLOT-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001271014706 905553780 /nfs/dbraw/zinc/55/37/80/905553780.db2.gz ZSDODISYRLFDCJ-UONOGXRCSA-N 2 0 269.433 1.563 10 0 CDAERP CC[NH2+]C[C@@H](C)N(C)C(=O)CCCC[NH+]1CCCC1 ZINC001271228289 906194390 /nfs/dbraw/zinc/19/43/90/906194390.db2.gz RRLIMAKOJBMQIA-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CC2(C1)CC[NH+](CCF)CC2 ZINC001280394273 906285783 /nfs/dbraw/zinc/28/57/83/906285783.db2.gz GYUISSNNCWJQEO-UHFFFAOYSA-N 2 0 299.434 1.612 10 0 CDAERP CC[NH2+][C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001271838192 906880711 /nfs/dbraw/zinc/88/07/11/906880711.db2.gz MHRZWDBRYDJZPY-KBPBESRZSA-N 2 0 267.417 1.079 10 0 CDAERP CC(C)CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001482834569 908412494 /nfs/dbraw/zinc/41/24/94/908412494.db2.gz VXRAMYGASHGECL-ZBFHGGJFSA-N 2 0 295.471 1.859 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]CC(C)(C)N2CCOCC2)C1 ZINC000715270946 909876291 /nfs/dbraw/zinc/87/62/91/909876291.db2.gz OMWPHDZOIOLJFD-CABCVRRESA-N 2 0 283.460 1.560 10 0 CDAERP C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]CC1CCOCC1 ZINC001409380157 910352738 /nfs/dbraw/zinc/35/27/38/910352738.db2.gz FCPRWFYYDHPMLV-UONOGXRCSA-N 2 0 299.459 1.238 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1nccs1)[NH+](C)C ZINC001273018948 921570664 /nfs/dbraw/zinc/57/06/64/921570664.db2.gz QIACJAHEYSIECB-RYUDHWBXSA-N 2 0 298.456 1.468 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1nccs1 ZINC001409459970 910416379 /nfs/dbraw/zinc/41/63/79/910416379.db2.gz HYCWRGLTRLMKGF-NWDGAFQWSA-N 2 0 298.456 1.466 10 0 CDAERP CC(C)CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001409608494 910547514 /nfs/dbraw/zinc/54/75/14/910547514.db2.gz IMBYECGVTGPUEI-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP COCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001507129553 910787165 /nfs/dbraw/zinc/78/71/65/910787165.db2.gz JJIDRTQMOFXELT-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP CN(CCC[NH2+]Cc1ccccn1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001483456545 911144304 /nfs/dbraw/zinc/14/43/04/911144304.db2.gz ZFYBPLZZFJPFHP-HNNXBMFYSA-N 2 0 290.411 1.114 10 0 CDAERP CC(C)[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001483465919 911155211 /nfs/dbraw/zinc/15/52/11/911155211.db2.gz RYQYHPMAXJNTRD-CQSZACIVSA-N 2 0 269.433 1.706 10 0 CDAERP CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001483798134 915081466 /nfs/dbraw/zinc/08/14/66/915081466.db2.gz DJERHKQXIMKOAU-OAHLLOKOSA-N 2 0 281.444 1.519 10 0 CDAERP CC(C)CCC[NH+]1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001483885874 915152222 /nfs/dbraw/zinc/15/22/22/915152222.db2.gz QQGMPRQGDOGKHJ-OAHLLOKOSA-N 2 0 295.471 1.907 10 0 CDAERP CCC(CC)C[NH+]1CC(N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001483887072 915179497 /nfs/dbraw/zinc/17/94/97/915179497.db2.gz UFQFADBWFOIKLU-UHFFFAOYSA-N 2 0 283.460 1.907 10 0 CDAERP O=C(CCCC[NH+]1CCCC1)N1CCC[C@H]1C[NH2+]CCF ZINC001483957953 915226937 /nfs/dbraw/zinc/22/69/37/915226937.db2.gz LXWAQUWJTSUFMR-HNNXBMFYSA-N 2 0 299.434 1.803 10 0 CDAERP CC(C)[NH2+]CC[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001484542181 915871019 /nfs/dbraw/zinc/87/10/19/915871019.db2.gz DEMUTHCZTZBUJD-KGLIPLIRSA-N 2 0 292.427 1.825 10 0 CDAERP CCC[NH+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001484580869 915900060 /nfs/dbraw/zinc/90/00/60/915900060.db2.gz WGBMCGYIJWGKQY-UHFFFAOYSA-N 2 0 267.417 1.273 10 0 CDAERP CCC1([NH2+]CCF)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001484817233 916187437 /nfs/dbraw/zinc/18/74/37/916187437.db2.gz XAMDKJKFDQEJAR-UHFFFAOYSA-N 2 0 273.396 1.268 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC1CC(C[NH2+]CC2CC2)C1 ZINC001485110346 916537461 /nfs/dbraw/zinc/53/74/61/916537461.db2.gz FQJQNOIPBYWBHL-UHFFFAOYSA-N 2 0 267.417 1.221 10 0 CDAERP C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1C[NH+](CC2CCC2)C1 ZINC001485525379 917063928 /nfs/dbraw/zinc/06/39/28/917063928.db2.gz FVKGKEYJXUTYFM-KBPBESRZSA-N 2 0 293.455 1.565 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccon2)C1 ZINC001485703376 917186338 /nfs/dbraw/zinc/18/63/38/917186338.db2.gz VOJHIZNBPJHRNK-MQMHXKEQSA-N 2 0 294.399 1.001 10 0 CDAERP CC(C)C[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001485960305 920627340 /nfs/dbraw/zinc/62/73/40/920627340.db2.gz DEYSARXSDZPHSP-CYBMUJFWSA-N 2 0 257.422 1.419 10 0 CDAERP CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]21 ZINC001486160263 920761691 /nfs/dbraw/zinc/76/16/91/920761691.db2.gz HHFUSNBGRXMIIK-RBSFLKMASA-N 2 0 281.444 1.565 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1 ZINC001273084648 921955649 /nfs/dbraw/zinc/95/56/49/921955649.db2.gz WPCKFSNGIDOOPB-ZIAGYGMSSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)C[C@@H](C[NH2+]CCCF)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001568325715 1169246165 /nfs/dbraw/zinc/24/61/65/1169246165.db2.gz OOBPIEXMPHLHIW-KBPBESRZSA-N 2 0 287.423 1.561 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H](C)[N@@H+](C)CC ZINC001282387938 942702911 /nfs/dbraw/zinc/70/29/11/942702911.db2.gz BSTKMUDMOGNAJW-VXGBXAGGSA-N 2 0 261.385 1.123 10 0 CDAERP CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001649451775 1169250212 /nfs/dbraw/zinc/25/02/12/1169250212.db2.gz VJPGGKAAUCSYQT-UONOGXRCSA-N 2 0 269.433 1.706 10 0 CDAERP CCCOC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000705828061 923004966 /nfs/dbraw/zinc/00/49/66/923004966.db2.gz OPKQMVWWJZCQJS-CHWSQXEVSA-N 2 0 271.405 1.204 10 0 CDAERP c1csc([C@@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)n1 ZINC000710438356 923242118 /nfs/dbraw/zinc/24/21/18/923242118.db2.gz AJRDFMCDOUWBBA-GFCCVEGCSA-N 2 0 251.399 1.932 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001491140966 936865012 /nfs/dbraw/zinc/86/50/12/936865012.db2.gz CKFFINBERPCEFY-GJZGRUSLSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H]1C[N@@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)CC[C@@H]1C[NH3+] ZINC000923496944 923881960 /nfs/dbraw/zinc/88/19/60/923881960.db2.gz KOKHHDTVCODQRI-GMTAPVOTSA-N 2 0 293.333 1.066 10 0 CDAERP Cc1ncsc1CC[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923501960 923882437 /nfs/dbraw/zinc/88/24/37/923882437.db2.gz UFFKZWIZXDKVHG-JQWIXIFHSA-N 2 0 253.415 1.911 10 0 CDAERP CC(C)C[C@@H]1CN(C)CC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000923555717 923928767 /nfs/dbraw/zinc/92/87/67/923928767.db2.gz USLZYDNILWVMBA-QLFBSQMISA-N 2 0 253.434 1.776 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCCC[NH+]2CCCF)C1 ZINC001491231343 936881791 /nfs/dbraw/zinc/88/17/91/936881791.db2.gz SJRYGMPWGVOKQJ-GJZGRUSLSA-N 2 0 299.434 1.659 10 0 CDAERP C[NH+](C)C1(C(=O)NCCCC[NH+]2CCOCC2)CCCC1 ZINC001141742900 936932119 /nfs/dbraw/zinc/93/21/19/936932119.db2.gz VVISNNRMAGZBIL-UHFFFAOYSA-N 2 0 297.443 1.089 10 0 CDAERP CCCC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001273894597 926294064 /nfs/dbraw/zinc/29/40/64/926294064.db2.gz SSJFYJLRJDWZSX-GDBMZVCRSA-N 2 0 299.459 1.070 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001488651933 926636361 /nfs/dbraw/zinc/63/63/61/926636361.db2.gz CGZDKMVDHUPQBK-IDTUSYRASA-N 2 0 281.444 1.827 10 0 CDAERP CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001488659815 926654456 /nfs/dbraw/zinc/65/44/56/926654456.db2.gz BTUVWLJAOBVEBY-GJZGRUSLSA-N 2 0 281.444 1.661 10 0 CDAERP CC[C@@H](C(=O)N1CCCCC[C@H]([NH2+]CCCO)C1)[NH+](C)C ZINC001489239148 926851101 /nfs/dbraw/zinc/85/11/01/926851101.db2.gz ARSLWBJOBQOKST-GJZGRUSLSA-N 2 0 299.459 1.070 10 0 CDAERP CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001568451045 1169294287 /nfs/dbraw/zinc/29/42/87/1169294287.db2.gz HVCAVAUSCIXLJI-JHJVBQTASA-N 2 0 255.406 1.077 10 0 CDAERP COC[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)CC1 ZINC001440399233 927329332 /nfs/dbraw/zinc/32/93/32/927329332.db2.gz QKYVOEOWZDTKCW-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP C[N@H+](CCF)C[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001490775842 927343017 /nfs/dbraw/zinc/34/30/17/927343017.db2.gz DLSKXFNNAYKIJJ-ZIAGYGMSSA-N 2 0 285.407 1.078 10 0 CDAERP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C=C1CC[NH2+]CC1 ZINC000852869981 927902277 /nfs/dbraw/zinc/90/22/77/927902277.db2.gz NLVAOKFEOFRDGV-HNNXBMFYSA-N 2 0 279.428 1.629 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+]C[C@]2(C)CCCS2)CC1 ZINC000862271441 929397151 /nfs/dbraw/zinc/39/71/51/929397151.db2.gz PMTUUJRBIOCHDF-CABCVRRESA-N 2 0 285.501 1.888 10 0 CDAERP C[NH+](C)CCC1CC[NH+](C[C@H](O)c2ccc(F)cn2)CC1 ZINC000799298443 937383655 /nfs/dbraw/zinc/38/36/55/937383655.db2.gz XWWMFZNECTUAKW-INIZCTEOSA-N 2 0 295.402 1.918 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)CC2CC([NH3+])C2)C1 ZINC000718036577 931573391 /nfs/dbraw/zinc/57/33/91/931573391.db2.gz SAIQATYADHQKQD-HIFPTAJRSA-N 2 0 267.417 1.350 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001411782229 932021012 /nfs/dbraw/zinc/02/10/12/932021012.db2.gz YFSDVGOMJZCJMF-HUUCEWRRSA-N 2 0 281.444 1.661 10 0 CDAERP C[C@H](CNC(=O)CC[N@@H+]1CC[C@@H](F)C1)[NH+](C)C1CC1 ZINC001412501732 932457741 /nfs/dbraw/zinc/45/77/41/932457741.db2.gz YLCFUIXUHJHSCF-VXGBXAGGSA-N 2 0 271.380 1.019 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H](CC[NH+](C)C)C2)C1 ZINC001412578543 932517021 /nfs/dbraw/zinc/51/70/21/932517021.db2.gz ZPAYHAIHNSHDOE-JKSUJKDBSA-N 2 0 295.471 1.909 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)CC1 ZINC001412712683 932657500 /nfs/dbraw/zinc/65/75/00/932657500.db2.gz LGSKPOJNWHELOX-LSDHHAIUSA-N 2 0 295.471 1.905 10 0 CDAERP CC1(C)[C@@H]([NH2+]CCc2nnc3ccccn32)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925511382 932897160 /nfs/dbraw/zinc/89/71/60/932897160.db2.gz MBCYXVATWUJBHL-KCXAZCMYSA-N 2 0 299.422 1.638 10 0 CDAERP C[C@H](CO[C@@H]1CCOC1)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925538329 932901734 /nfs/dbraw/zinc/90/17/34/932901734.db2.gz ADVDHAHFERMYIM-XJFOESAGSA-N 2 0 270.417 1.676 10 0 CDAERP CC1(C)C[C@@H]([NH2+]CCNc2cnccn2)C[C@@H]([NH3+])C1 ZINC000925554497 932904315 /nfs/dbraw/zinc/90/43/15/932904315.db2.gz BCKBHRQQHOQDQH-NEPJUHHUSA-N 2 0 263.389 1.384 10 0 CDAERP OC[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)[C@@H]1CCOC1 ZINC000925658722 932923701 /nfs/dbraw/zinc/92/37/01/932923701.db2.gz ZDHLYSNZFBGUBV-YYIAUSFCSA-N 2 0 296.455 1.389 10 0 CDAERP CCOC(=O)C1=CC[C@H]([NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925718949 932931379 /nfs/dbraw/zinc/93/13/79/932931379.db2.gz KSCBUQAQFLWTLY-XQQFMLRXSA-N 2 0 264.369 1.498 10 0 CDAERP CC[C@H]1CCCC[C@@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925810876 932940810 /nfs/dbraw/zinc/94/08/10/932940810.db2.gz GTTIMVSNMIRWEC-ZFWWWQNUSA-N 2 0 253.434 1.968 10 0 CDAERP CC(C)n1cc([C@H](C)[NH2+][C@H]2CCc3nc[nH]c3C2)nn1 ZINC000926450811 932990636 /nfs/dbraw/zinc/99/06/36/932990636.db2.gz RMOVMUCNYVJRQP-QWRGUYRKSA-N 2 0 274.372 1.790 10 0 CDAERP Cn1ccnc1[C@H]1CC[N@H+](Cc2noc3c2COCC3)C1 ZINC000930092529 933315106 /nfs/dbraw/zinc/31/51/06/933315106.db2.gz AUZSLBGYIYKHQS-NSHDSACASA-N 2 0 288.351 1.470 10 0 CDAERP C[NH+](C)[C@@H]1[C@H]2CN([C@H]3CC[N@H+](Cc4ccccc4)C3)C[C@H]21 ZINC000931278080 933529700 /nfs/dbraw/zinc/52/97/00/933529700.db2.gz WYLBNKUAZIYYAO-WNRNVDISSA-N 2 0 285.435 1.753 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCN1CCC([NH+]2CCCOCC2)CC1 ZINC000931287130 933531531 /nfs/dbraw/zinc/53/15/31/933531531.db2.gz SVSXNLLZPSNJEK-INIZCTEOSA-N 2 0 295.471 1.657 10 0 CDAERP Cc1ccccc1[C@H](O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000686008641 933761599 /nfs/dbraw/zinc/76/15/99/933761599.db2.gz AFFOIIWPJPHOBB-GDBMZVCRSA-N 2 0 262.397 1.912 10 0 CDAERP C[NH+]1CCC(CC[NH2+][C@H]2CC[NH2+]C23CCCC3)CC1 ZINC001119699141 937748599 /nfs/dbraw/zinc/74/85/99/937748599.db2.gz JWNLUSOCNRHMGE-HNNXBMFYSA-N 3 0 265.445 1.983 10 0 CDAERP OC1(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)CCCCC1 ZINC000304002733 935049608 /nfs/dbraw/zinc/04/96/08/935049608.db2.gz RSHJUKJPGSIUSC-UHFFFAOYSA-N 2 0 296.455 1.726 10 0 CDAERP Cc1cc(CN2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)ccn1 ZINC000720792053 935248255 /nfs/dbraw/zinc/24/82/55/935248255.db2.gz BWUVMQVKSDLKDS-NEPJUHHUSA-N 2 0 273.302 1.959 10 0 CDAERP CC[NH+](CC)CC(=O)Nc1cccc(OCC[NH3+])c1 ZINC000832607226 935312809 /nfs/dbraw/zinc/31/28/09/935312809.db2.gz UYSKGGULXGIKHY-UHFFFAOYSA-N 2 0 265.357 1.304 10 0 CDAERP O=C(CC[N@H+]1CC[C@H](F)C1)N[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC001413222691 935956452 /nfs/dbraw/zinc/95/64/52/935956452.db2.gz MLXGCKCZYSDSEE-RRFJBIMHSA-N 2 0 297.418 1.553 10 0 CDAERP CC(C)[NH2+]CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001568678286 1169427654 /nfs/dbraw/zinc/42/76/54/1169427654.db2.gz NZQBEYXEEBVTDV-CHWSQXEVSA-N 2 0 255.406 1.221 10 0 CDAERP CC(C)[NH+](CCNC(=O)[C@@H](C)CC[NH+](C)C)C(C)C ZINC001362025561 970789357 /nfs/dbraw/zinc/78/93/57/970789357.db2.gz VZBRQZSQMIOVAS-AWEZNQCLSA-N 2 0 271.449 1.809 10 0 CDAERP C[C@@H]1CN(CC[C@@H]2CCC[N@@H+]2C)CCN1c1cnccn1 ZINC001473903491 970893415 /nfs/dbraw/zinc/89/34/15/970893415.db2.gz VPWAGESVCFKLBQ-CABCVRRESA-N 2 0 289.427 1.471 10 0 CDAERP COCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001281930686 942633841 /nfs/dbraw/zinc/63/38/41/942633841.db2.gz VDUQJWZOTGOEGU-HUUCEWRRSA-N 2 0 297.443 1.040 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001284247798 943130208 /nfs/dbraw/zinc/13/02/08/943130208.db2.gz RBBGDNRWHYUCFU-KGLIPLIRSA-N 2 0 267.417 1.367 10 0 CDAERP CC(C)=CC[NH+]1CC[C@@H]1CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001263812207 943983452 /nfs/dbraw/zinc/98/34/52/943983452.db2.gz JGGFUMWHYGJHKD-HZPDHXFCSA-N 2 0 293.455 1.827 10 0 CDAERP CCOCC[N@@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H]1CC ZINC001264068013 944071799 /nfs/dbraw/zinc/07/17/99/944071799.db2.gz ZOXWKXVMNAOZIC-ZNMIVQPWSA-N 2 0 299.459 1.332 10 0 CDAERP CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001264564425 944149579 /nfs/dbraw/zinc/14/95/79/944149579.db2.gz RLIKQBHLBZUCFH-OAGGEKHMSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)CCC(=O)NCCC[N@H+](C)Cc1cccc(F)c1 ZINC001265030771 944207891 /nfs/dbraw/zinc/20/78/91/944207891.db2.gz ILXLWXJGWAYOTM-UHFFFAOYSA-N 2 0 295.402 1.716 10 0 CDAERP CC[N@H+](CCF)CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001265119632 944239499 /nfs/dbraw/zinc/23/94/99/944239499.db2.gz LENDWMZRJUCOQM-UHFFFAOYSA-N 2 0 299.434 1.660 10 0 CDAERP CCCC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001265171838 944258873 /nfs/dbraw/zinc/25/88/73/944258873.db2.gz YOXYEHHXHUODOY-OAHLLOKOSA-N 2 0 281.444 1.851 10 0 CDAERP C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCCF)C1)[NH+]1CCCCCC1 ZINC001265497980 944410636 /nfs/dbraw/zinc/41/06/36/944410636.db2.gz ZBRBWAQFCHDIRB-KKUMJFAQSA-N 2 0 299.434 1.847 10 0 CDAERP CCCCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001265596550 944441431 /nfs/dbraw/zinc/44/14/31/944441431.db2.gz FXOZDMVHPIZATD-HZPDHXFCSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)CC[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001277982159 944486609 /nfs/dbraw/zinc/48/66/09/944486609.db2.gz RZHRXYFRPIYWFI-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001265923141 944575067 /nfs/dbraw/zinc/57/50/67/944575067.db2.gz MHZDSWWIQNOHTH-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001265923039 944575112 /nfs/dbraw/zinc/57/51/12/944575112.db2.gz MHZDSWWIQNOHTH-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP CCCC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001266155007 944720981 /nfs/dbraw/zinc/72/09/81/944720981.db2.gz IMLLJKVKBQVILW-UONOGXRCSA-N 2 0 269.433 1.755 10 0 CDAERP CC[N@@H+]1CCN(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)[C@H](C)C1 ZINC001479516308 971335618 /nfs/dbraw/zinc/33/56/18/971335618.db2.gz UVKQRDYRHBJFON-CABCVRRESA-N 2 0 298.475 1.698 10 0 CDAERP CC(C)OCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001479716540 971380162 /nfs/dbraw/zinc/38/01/62/971380162.db2.gz JESMVNAAPJGGAO-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001479968626 971516919 /nfs/dbraw/zinc/51/69/19/971516919.db2.gz FZPZUMAKWOZBDL-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H](C)OC)C1 ZINC001480206878 971629136 /nfs/dbraw/zinc/62/91/36/971629136.db2.gz OWMHDTHYWQGYRD-APIJFGDWSA-N 2 0 297.443 1.133 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CC1CC1 ZINC001480526235 971768428 /nfs/dbraw/zinc/76/84/28/971768428.db2.gz OUUMXXFXPBAERL-OBJOEFQTSA-N 2 0 267.417 1.221 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CCCC1 ZINC001480590560 971796122 /nfs/dbraw/zinc/79/61/22/971796122.db2.gz OLOPGJBUTJMMIW-TZMCWYRMSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CCF ZINC001480770814 971873321 /nfs/dbraw/zinc/87/33/21/971873321.db2.gz ZLWQQDMERCEKGX-ZFWWWQNUSA-N 2 0 299.434 1.847 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CC[NH+](CC)CC)CC[N@@H+]1C ZINC001363688462 953653244 /nfs/dbraw/zinc/65/32/44/953653244.db2.gz FMEAFQJJRUXEEQ-SOUVJXGZSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H]1COCCN1CC[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC001363813009 953846920 /nfs/dbraw/zinc/84/69/20/953846920.db2.gz OAIIAMLXINEVKM-MRXNPFEDSA-N 2 0 295.471 1.515 10 0 CDAERP CC[C@H](C[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1)OC ZINC001363854891 953923544 /nfs/dbraw/zinc/92/35/44/953923544.db2.gz XJIRFFUVQFLQNZ-OAHLLOKOSA-N 2 0 284.444 1.724 10 0 CDAERP O[C@@H]1CCCC[C@@H]1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001363208286 971980345 /nfs/dbraw/zinc/98/03/45/971980345.db2.gz UDGSRWDBECIQBL-GDBMZVCRSA-N 2 0 275.396 1.755 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@@H](C)CC[NH+](C)C ZINC001290038017 954022800 /nfs/dbraw/zinc/02/28/00/954022800.db2.gz KWPQLVUAJIWMDJ-ZDUSSCGKSA-N 2 0 257.422 1.422 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@H](C)CC[NH+](C)C ZINC001290038016 954023557 /nfs/dbraw/zinc/02/35/57/954023557.db2.gz KWPQLVUAJIWMDJ-CYBMUJFWSA-N 2 0 257.422 1.422 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)C1 ZINC001363922398 954028359 /nfs/dbraw/zinc/02/83/59/954028359.db2.gz RRMNIVDGTVYWOB-UGUYLWEFSA-N 2 0 293.455 1.517 10 0 CDAERP CC[N@H+](C)[C@@H]1CCN(C(=O)C2C[NH+](C3CCCCC3)C2)C1 ZINC001364015247 954126460 /nfs/dbraw/zinc/12/64/60/954126460.db2.gz PTIXDOHGFVIVAS-MRXNPFEDSA-N 2 0 293.455 1.804 10 0 CDAERP C[NH+](C)C1(C(=O)NC[C@@H]2CCC[N@H+](C)C2)CCCC1 ZINC001293241593 954341363 /nfs/dbraw/zinc/34/13/63/954341363.db2.gz RWGXOSCSBWZGHM-ZDUSSCGKSA-N 2 0 267.417 1.319 10 0 CDAERP CC[NH+](CC)CC[C@@H](C)NC(=O)N1CC[C@@H]([N@H+](C)CC)C1 ZINC001364348762 954486694 /nfs/dbraw/zinc/48/66/94/954486694.db2.gz GUDMUMPGDBXDKN-HUUCEWRRSA-N 2 0 298.475 1.842 10 0 CDAERP c1nc2n(c1C[NH2+]C1CCN(c3cc[nH+]cc3)CC1)CCC2 ZINC001364635036 954928298 /nfs/dbraw/zinc/92/82/98/954928298.db2.gz BFWMHEFTYRNLGV-UHFFFAOYSA-N 2 0 297.406 1.983 10 0 CDAERP CC[C@@H](F)C[NH2+][C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001491603430 955348497 /nfs/dbraw/zinc/34/84/97/955348497.db2.gz TWEOYNBAAMWDNE-GXTWGEPZSA-N 2 0 287.423 1.561 10 0 CDAERP CC(C)C[NH2+]CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001493613746 972088874 /nfs/dbraw/zinc/08/88/74/972088874.db2.gz VLRMMGGWPVUROS-UHFFFAOYSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCC(C)(C)C ZINC001491674850 955383894 /nfs/dbraw/zinc/38/38/94/955383894.db2.gz XDHOXFIKCODRHB-QWHCGFSZSA-N 2 0 269.433 1.469 10 0 CDAERP CC[C@H](F)C[N@H+]1C[C@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@H]2C1 ZINC001421575535 955415676 /nfs/dbraw/zinc/41/56/76/955415676.db2.gz UQJIYBVFIZYWKI-ZNMIVQPWSA-N 2 0 299.434 1.465 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CC[C@@H](C[NH2+]CCCF)C2)CC[N@@H+]1C ZINC001491829454 955457908 /nfs/dbraw/zinc/45/79/08/955457908.db2.gz LKPVSSQHGJGHQW-KKUMJFAQSA-N 2 0 299.434 1.514 10 0 CDAERP CCC[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CCCC1 ZINC001421834539 955584783 /nfs/dbraw/zinc/58/47/83/955584783.db2.gz QXFCHBJOPPEDHA-OAHLLOKOSA-N 2 0 293.455 1.757 10 0 CDAERP CC(C)C[N@H+](C)CCCN(C)C(=O)C[NH+](C)C(C)C ZINC001421901697 955641703 /nfs/dbraw/zinc/64/17/03/955641703.db2.gz KQIFLNWRYQEFPS-UHFFFAOYSA-N 2 0 271.449 1.763 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001365971067 956475631 /nfs/dbraw/zinc/47/56/31/956475631.db2.gz MBXCAHAHUGBLNM-HUUCEWRRSA-N 2 0 281.444 1.707 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001365973869 956480082 /nfs/dbraw/zinc/48/00/82/956480082.db2.gz GGXVBXLVOIXEDF-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001366170057 956617982 /nfs/dbraw/zinc/61/79/82/956617982.db2.gz PWZGEEJLSQMZTJ-MRPPWBEGSA-N 2 0 299.846 1.852 10 0 CDAERP C[C@H](CCC[NH2+]CCO)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001330813337 956644180 /nfs/dbraw/zinc/64/41/80/956644180.db2.gz QYNIJNRPFIUKJI-CQSZACIVSA-N 2 0 299.459 1.118 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001423209541 956672292 /nfs/dbraw/zinc/67/22/92/956672292.db2.gz OFYCMFJCDULWBL-KGLIPLIRSA-N 2 0 299.434 1.846 10 0 CDAERP CCC[NH2+]CCCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001569246455 1169735511 /nfs/dbraw/zinc/73/55/11/1169735511.db2.gz CXVIHEGYOPYOGF-UHFFFAOYSA-N 2 0 269.433 1.566 10 0 CDAERP CN(CCC[NH2+]CC1CCC1)C(=O)CC1CC[NH+](C)CC1 ZINC001569246491 1169735619 /nfs/dbraw/zinc/73/56/19/1169735619.db2.gz DXPUAHIZGBBTJK-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP C[NH+](C)CCC(=O)NCC1([NH2+]CCC2CCCC2)CC1 ZINC001423277455 956701684 /nfs/dbraw/zinc/70/16/84/956701684.db2.gz ZIKBFSNUUYWAAM-UHFFFAOYSA-N 2 0 281.444 1.757 10 0 CDAERP CCC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC1C[NH+](C)C1 ZINC001330928581 956710018 /nfs/dbraw/zinc/71/00/18/956710018.db2.gz WZRWAXPVXMVSLA-AWEZNQCLSA-N 2 0 267.417 1.271 10 0 CDAERP CC[NH2+]CCCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001569247591 1169735001 /nfs/dbraw/zinc/73/50/01/1169735001.db2.gz VKXBHJBSWGOQDF-ZIAGYGMSSA-N 2 0 267.417 1.461 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCCCCF ZINC001317499159 956737726 /nfs/dbraw/zinc/73/77/26/956737726.db2.gz YHKLKWMFVKXBEH-LSDHHAIUSA-N 2 0 299.434 1.801 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC001423415992 956769281 /nfs/dbraw/zinc/76/92/81/956769281.db2.gz QWHAWFNUNOOSKB-HIFRSBDPSA-N 2 0 297.443 1.086 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC2CC2)C[C@H]1C ZINC001423446915 956788321 /nfs/dbraw/zinc/78/83/21/956788321.db2.gz CNGIKOAOTSZYOP-UKRRQHHQSA-N 2 0 281.444 1.706 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCCNC(=O)[C@H]1CN(CC)CCO1 ZINC001316866353 956793013 /nfs/dbraw/zinc/79/30/13/956793013.db2.gz LZFRSMCCGOBNOX-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+](CC[C@H]2CCCO2)C1 ZINC001423585626 956882664 /nfs/dbraw/zinc/88/26/64/956882664.db2.gz MNESOCYKEKRGPN-ZBFHGGJFSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@@H](F)CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)C1CC1 ZINC001366742334 957159580 /nfs/dbraw/zinc/15/95/80/957159580.db2.gz MAHYFWUCAMDKNX-HIFRSBDPSA-N 2 0 299.434 1.799 10 0 CDAERP C([C@@H]1C[C@@]12CCOC2)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001331707151 957217671 /nfs/dbraw/zinc/21/76/71/957217671.db2.gz PLQLFUGXLCYROK-GOEBONIOSA-N 2 0 264.413 1.879 10 0 CDAERP CCCC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001366848729 957224695 /nfs/dbraw/zinc/22/46/95/957224695.db2.gz BHGQHPYZXXOXKI-LSDHHAIUSA-N 2 0 281.444 1.566 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@@H](CCNC(=O)Cn2ccnc2)C1 ZINC001366854659 957228651 /nfs/dbraw/zinc/22/86/51/957228651.db2.gz UQWFRTKZAVMDAM-UONOGXRCSA-N 2 0 296.390 1.459 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC(C)([NH2+]C/C=C\Cl)CC1 ZINC001424496103 957252489 /nfs/dbraw/zinc/25/24/89/957252489.db2.gz VOHGYLVRJCJRRK-YWEYNIOJSA-N 2 0 287.835 1.661 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001317157546 957311003 /nfs/dbraw/zinc/31/10/03/957311003.db2.gz KARJWZRYXKNLEG-CYBMUJFWSA-N 2 0 255.406 1.176 10 0 CDAERP CC(C)CC[NH+]1CC(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001366985306 957317684 /nfs/dbraw/zinc/31/76/84/957317684.db2.gz NFDKDSAKXPIMOR-OAHLLOKOSA-N 2 0 283.460 1.667 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC1CC(C[NH2+]CC2CCC2)C1 ZINC001424735604 957327626 /nfs/dbraw/zinc/32/76/26/957327626.db2.gz QPNVRSKTBPXLIP-UHFFFAOYSA-N 2 0 281.444 1.611 10 0 CDAERP CC[C@@H](C)C[NH2+]CC1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001424748166 957332446 /nfs/dbraw/zinc/33/24/46/957332446.db2.gz GIDKYXNHWVBVJQ-WLYUNCDWSA-N 2 0 293.455 1.613 10 0 CDAERP CC[C@H](C(=O)N(C)[C@H]1CC[N@H+](CCOC)C1)[NH+](CC)CC ZINC001367062276 957375670 /nfs/dbraw/zinc/37/56/70/957375670.db2.gz VTVZGSRBURIDEH-LSDHHAIUSA-N 2 0 299.459 1.286 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCCCCF ZINC001317245606 957376494 /nfs/dbraw/zinc/37/64/94/957376494.db2.gz IERCOVADIYKBKF-KBPBESRZSA-N 2 0 287.423 1.705 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)N(C)Cc1ccns1 ZINC001425017716 957445114 /nfs/dbraw/zinc/44/51/14/957445114.db2.gz WAJCCIOIRJLOFI-LLVKDONJSA-N 2 0 284.429 1.031 10 0 CDAERP CCC[NH2+][C@@H](C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001317407772 957458843 /nfs/dbraw/zinc/45/88/43/957458843.db2.gz YOIVIIKHGGERTH-OLZOCXBDSA-N 2 0 255.406 1.223 10 0 CDAERP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)C[C@H]1CCCCO1 ZINC001425083937 957466600 /nfs/dbraw/zinc/46/66/00/957466600.db2.gz YWTUEEMQFQZGRP-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C[NH+]1CCCC1 ZINC001317433619 957468428 /nfs/dbraw/zinc/46/84/28/957468428.db2.gz FRXJFKDGUUWBJG-AWEZNQCLSA-N 2 0 267.417 1.463 10 0 CDAERP CCC[N@H+](C)CC(=O)NCC[NH+](C)CC1CCCC1 ZINC001317467379 957498321 /nfs/dbraw/zinc/49/83/21/957498321.db2.gz CYYMTGCKVDANSK-UHFFFAOYSA-N 2 0 269.433 1.566 10 0 CDAERP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cc(CO)on1 ZINC001332426317 957560268 /nfs/dbraw/zinc/56/02/68/957560268.db2.gz DWFZQFZGMZPYBE-MXWKQRLJSA-N 2 0 253.346 1.158 10 0 CDAERP CN(CC[NH2+]CCC(F)(F)F)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001317620756 957603480 /nfs/dbraw/zinc/60/34/80/957603480.db2.gz VWOTWZHRUNQXTP-NSHDSACASA-N 2 0 295.349 1.471 10 0 CDAERP CC/C=C\CC[NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001317626988 957609121 /nfs/dbraw/zinc/60/91/21/957609121.db2.gz QRKZTZZERBHZOY-YVACAVLKSA-N 2 0 281.444 1.733 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C1CC[NH+](CC2CC2)CC1)[NH+](C)C ZINC001426180927 957821863 /nfs/dbraw/zinc/82/18/63/957821863.db2.gz YPAYCFMCVJKVMH-CZUORRHYSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@H](C[NH2+]CC1CCCC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001367359902 957968976 /nfs/dbraw/zinc/96/89/76/957968976.db2.gz PHNPFHUATNXOBO-UKRRQHHQSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001367524567 958099974 /nfs/dbraw/zinc/09/99/74/958099974.db2.gz XWBMIGIKHHJRGE-CQSZACIVSA-N 2 0 299.434 1.753 10 0 CDAERP CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001318604691 958182947 /nfs/dbraw/zinc/18/29/47/958182947.db2.gz FFNOSIGLMLGMQQ-QWHCGFSZSA-N 2 0 255.406 1.365 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H](CC[NH2+]CC2CC2)C1 ZINC001318830979 958278324 /nfs/dbraw/zinc/27/83/24/958278324.db2.gz LTAWLGWQMTVEGJ-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001319195571 958426745 /nfs/dbraw/zinc/42/67/45/958426745.db2.gz IGAXWXWONBVUNZ-AWEZNQCLSA-N 2 0 283.460 1.859 10 0 CDAERP CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001319515925 958606123 /nfs/dbraw/zinc/60/61/23/958606123.db2.gz SPBLVTKIIRPRDA-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@]1(C)CCC[NH+](C(C)C)C1 ZINC001368217580 958706677 /nfs/dbraw/zinc/70/66/77/958706677.db2.gz BMGNRNGFWCZBDC-MRXNPFEDSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)C[NH2+][C@H](C)[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001368349350 958781776 /nfs/dbraw/zinc/78/17/76/958781776.db2.gz XBMZZQCGFRPRQV-CABCVRRESA-N 2 0 283.460 1.809 10 0 CDAERP CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1(C[NH+](C)C)CC1 ZINC001368393101 958806058 /nfs/dbraw/zinc/80/60/58/958806058.db2.gz HMDRKZJZDZCOQU-GJZGRUSLSA-N 2 0 293.455 1.804 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CC2)[C@@H]1CC)[NH+](C)C ZINC001368707801 959065762 /nfs/dbraw/zinc/06/57/62/959065762.db2.gz XPAKJEWOUCJADK-ZNMIVQPWSA-N 2 0 281.444 1.706 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cncs1 ZINC001368898554 959236823 /nfs/dbraw/zinc/23/68/23/959236823.db2.gz VPJQDQWFXGMHBO-RYUDHWBXSA-N 2 0 298.456 1.468 10 0 CDAERP C[C@@H]([NH2+]Cc1ccsc1)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001368909418 959245192 /nfs/dbraw/zinc/24/51/92/959245192.db2.gz JOWWSLCYZJAEGF-OLZOCXBDSA-N 2 0 295.452 1.827 10 0 CDAERP CC[C@@H](F)C[N@H+](C)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001368953905 959320613 /nfs/dbraw/zinc/32/06/13/959320613.db2.gz MJPPFHIVFZWBPT-CHWSQXEVSA-N 2 0 287.423 1.655 10 0 CDAERP C[C@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH+](C)CCO ZINC001368964166 959334347 /nfs/dbraw/zinc/33/43/47/959334347.db2.gz UDHIALRKESMPFA-CYBMUJFWSA-N 2 0 299.459 1.068 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH+](C)CC2CC2)C1 ZINC001368972793 959343477 /nfs/dbraw/zinc/34/34/77/959343477.db2.gz COPBGUUJEOJBON-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)C[NH+]1CCCC1 ZINC001369220595 959538699 /nfs/dbraw/zinc/53/86/99/959538699.db2.gz JBWKLCQVNKKMAS-GDBMZVCRSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+]1CCC(CC[NH2+]Cc2cnn(CCF)c2)CC1 ZINC001335152165 959603793 /nfs/dbraw/zinc/60/37/93/959603793.db2.gz ZPYSPCXSWZTMPK-UHFFFAOYSA-N 2 0 268.380 1.674 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001321540951 959841008 /nfs/dbraw/zinc/84/10/08/959841008.db2.gz CCWFZXTXGLSEAJ-VXGBXAGGSA-N 2 0 273.396 1.313 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001321895337 960005621 /nfs/dbraw/zinc/00/56/21/960005621.db2.gz FCNZJBZIOOXNQM-KBPBESRZSA-N 2 0 299.434 1.705 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2)C1 ZINC001370670180 960181286 /nfs/dbraw/zinc/18/12/86/960181286.db2.gz VQEVPYMZLCEJBR-GASCZTMLSA-N 2 0 275.396 1.375 10 0 CDAERP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+]2CC[C@H](F)C2)C1 ZINC001433791207 960619515 /nfs/dbraw/zinc/61/95/15/960619515.db2.gz YRHDAGUEAVMTEG-SOUVJXGZSA-N 2 0 297.418 1.363 10 0 CDAERP CCCC[N@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001418942237 961175791 /nfs/dbraw/zinc/17/57/91/961175791.db2.gz KTJAWMJMPHSFIR-OAHLLOKOSA-N 2 0 281.444 1.663 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H]1C[NH2+]CCF ZINC001324175132 961216077 /nfs/dbraw/zinc/21/60/77/961216077.db2.gz KNHBYASJPSAIHS-KBPBESRZSA-N 2 0 285.407 1.411 10 0 CDAERP CC(C)C[NH2+][C@@H](CNC(=O)[C@@]12CC[N@H+](C1)CCC2)C1CC1 ZINC001419301540 961594686 /nfs/dbraw/zinc/59/46/86/961594686.db2.gz FXOGLIAAOBHOAK-RDJZCZTQSA-N 2 0 293.455 1.613 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]([NH2+]CC2CC2)C2CC2)C1 ZINC001419315585 961601348 /nfs/dbraw/zinc/60/13/48/961601348.db2.gz SLTSNXZDJPIDRH-HIFRSBDPSA-N 2 0 279.428 1.223 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]([NH2+]CC2CC2)C2CC2)C1 ZINC001419315590 961602241 /nfs/dbraw/zinc/60/22/41/961602241.db2.gz SLTSNXZDJPIDRH-UKRRQHHQSA-N 2 0 279.428 1.223 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001419507970 961775675 /nfs/dbraw/zinc/77/56/75/961775675.db2.gz DUYXMEPEPITYNF-UXLLHSPISA-N 2 0 293.455 1.755 10 0 CDAERP Cc1nccn1CC(=O)N[C@H]1C[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001419511692 961777623 /nfs/dbraw/zinc/77/76/23/961777623.db2.gz XOWBCSWPDARTFI-PKSGFQROSA-N 2 0 282.775 1.181 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](CC3CCC3)CC2)CC[N@@H+]1C ZINC001434862572 962016194 /nfs/dbraw/zinc/01/61/94/962016194.db2.gz YYHYTYLEZDPDMT-JKSUJKDBSA-N 2 0 293.455 1.661 10 0 CDAERP CC(C)C[C@@H](C[NH2+]CC1CC1)NC(=O)C[NH+]1CCCC1 ZINC001419785359 962106463 /nfs/dbraw/zinc/10/64/63/962106463.db2.gz BJSPWXYDZRSZMK-HNNXBMFYSA-N 2 0 281.444 1.613 10 0 CDAERP Cc1cccnc1C[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001419940537 962259640 /nfs/dbraw/zinc/25/96/40/962259640.db2.gz SNGIUQMWCUPFGT-AWEZNQCLSA-N 2 0 292.427 1.325 10 0 CDAERP CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001436946732 962519023 /nfs/dbraw/zinc/51/90/23/962519023.db2.gz UGWWHDWWSSLLLI-HUUCEWRRSA-N 2 0 281.444 1.659 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H](F)CC)C1 ZINC001436977135 962538077 /nfs/dbraw/zinc/53/80/77/962538077.db2.gz SEEZIOZMIGSPCF-RWMBFGLXSA-N 2 0 273.396 1.313 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001437677359 963115599 /nfs/dbraw/zinc/11/55/99/963115599.db2.gz HYKJVAWNFZWMHL-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP C[C@H](CN(C)Cc1ccns1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001420660256 963166682 /nfs/dbraw/zinc/16/66/82/963166682.db2.gz MBYCGFUNKDXWFE-NEPJUHHUSA-N 2 0 296.440 1.031 10 0 CDAERP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C1CC1 ZINC001420665998 963172864 /nfs/dbraw/zinc/17/28/64/963172864.db2.gz UUARFJJGSQCJMQ-LSDHHAIUSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)C[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001420765035 963227310 /nfs/dbraw/zinc/22/73/10/963227310.db2.gz XJCZNWYLOUXBTF-BPUTZDHNSA-N 2 0 295.471 1.857 10 0 CDAERP CC[C@@H](C[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1)OC ZINC001437995616 963276075 /nfs/dbraw/zinc/27/60/75/963276075.db2.gz WXAWNURSWHGIPK-CABCVRRESA-N 2 0 299.459 1.143 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+]2CCC2CC2)C1 ZINC001420858699 963307862 /nfs/dbraw/zinc/30/78/62/963307862.db2.gz PVQOZEVXMRHSBG-DZGCQCFKSA-N 2 0 279.428 1.319 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001420966163 963390095 /nfs/dbraw/zinc/39/00/95/963390095.db2.gz KUONUDYZROUGTA-QLFBSQMISA-N 2 0 281.444 1.707 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+][C@H](C)COC)CC1 ZINC001421005643 963411110 /nfs/dbraw/zinc/41/11/10/963411110.db2.gz MERMWEYHMTWPAP-KGLIPLIRSA-N 2 0 297.443 1.134 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001438686377 963524627 /nfs/dbraw/zinc/52/46/27/963524627.db2.gz UKCBOOHUVKPPLB-QWHCGFSZSA-N 2 0 287.423 1.513 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001421309678 963547207 /nfs/dbraw/zinc/54/72/07/963547207.db2.gz HRBWWBLLWULTHX-OAHLLOKOSA-N 2 0 283.460 1.907 10 0 CDAERP CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)CC[C@@H]21 ZINC001438955452 963611425 /nfs/dbraw/zinc/61/14/25/963611425.db2.gz VXQWZGJRTRAQRF-CABCVRRESA-N 2 0 281.444 1.661 10 0 CDAERP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)CCCF ZINC001439321130 963722196 /nfs/dbraw/zinc/72/21/96/963722196.db2.gz BVXKQGVVWKXYJR-ZIAGYGMSSA-N 2 0 287.423 1.655 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001439785625 963860145 /nfs/dbraw/zinc/86/01/45/963860145.db2.gz WPAVXMIRRBZPEZ-GJZGRUSLSA-N 2 0 295.471 1.955 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N1CC2(C1)CC[NH+](CC)CC2 ZINC001440229092 963949680 /nfs/dbraw/zinc/94/96/80/963949680.db2.gz XWBNUZSUMJODBC-AWEZNQCLSA-N 2 0 299.434 1.611 10 0 CDAERP CC(C)[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001440803972 964188236 /nfs/dbraw/zinc/18/82/36/964188236.db2.gz UGZQJFBFHTXTTF-KBPBESRZSA-N 2 0 299.459 1.236 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)CC1CCCC1 ZINC001441005298 964324602 /nfs/dbraw/zinc/32/46/02/964324602.db2.gz ANCUBWVAQVRUCO-UKRRQHHQSA-N 2 0 281.444 1.565 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC[C@@H](C)F)C1 ZINC001441422783 964508007 /nfs/dbraw/zinc/50/80/07/964508007.db2.gz YFKKWVFYLBCMRQ-JHJVBQTASA-N 2 0 273.396 1.313 10 0 CDAERP CC(C)[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC1CCC1 ZINC001441423682 964511318 /nfs/dbraw/zinc/51/13/18/964511318.db2.gz XNIPGXDVFXWRDB-JKSUJKDBSA-N 2 0 295.471 1.859 10 0 CDAERP CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)CC[NH+](C)C)C1 ZINC001441954465 964806748 /nfs/dbraw/zinc/80/67/48/964806748.db2.gz BRIXBENPZWYEJW-OLZOCXBDSA-N 2 0 255.406 1.032 10 0 CDAERP C[C@@H](F)CC[N@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)C1CC1 ZINC001443036021 965327326 /nfs/dbraw/zinc/32/73/26/965327326.db2.gz VDPXBLQWQZWFPV-ZIAGYGMSSA-N 2 0 299.434 1.657 10 0 CDAERP CC[C@@H](C)C[N@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001443329929 965441621 /nfs/dbraw/zinc/44/16/21/965441621.db2.gz CZKSATVFCJPWMX-HZPDHXFCSA-N 2 0 295.471 1.909 10 0 CDAERP CC(C)[NH2+]C[C@@](C)(NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001444151152 965745400 /nfs/dbraw/zinc/74/54/00/965745400.db2.gz NIEJBQUKWUCDSF-CZUORRHYSA-N 2 0 281.444 1.611 10 0 CDAERP CCC[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001444537492 965863449 /nfs/dbraw/zinc/86/34/49/965863449.db2.gz UDZFCHYVGCOJOS-CQSZACIVSA-N 2 0 281.444 1.757 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001445627269 966260391 /nfs/dbraw/zinc/26/03/91/966260391.db2.gz JBQSTERLDTVZES-KBPBESRZSA-N 2 0 299.459 1.238 10 0 CDAERP C[NH2+][C@H](C)CCN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC001350955239 966810072 /nfs/dbraw/zinc/81/00/72/966810072.db2.gz IFGTVMXUOAQNSF-VHDGCEQUSA-N 2 0 253.434 1.742 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](C(C)C)CC1(C)C)[NH+](C)C ZINC001447594625 966826193 /nfs/dbraw/zinc/82/61/93/966826193.db2.gz ZCUHMEWJMGMSNE-ZIAGYGMSSA-N 2 0 283.460 1.952 10 0 CDAERP CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1conc1C)[NH+](C)C ZINC001448728234 967230674 /nfs/dbraw/zinc/23/06/74/967230674.db2.gz QMFSNBXHVCPAQS-RISCZKNCSA-N 2 0 296.415 1.260 10 0 CDAERP CC[C@H](C(=O)NCC12CCC[NH+](CCC1)C2)[NH+](C)C ZINC001352464158 967296000 /nfs/dbraw/zinc/29/60/00/967296000.db2.gz CIQHWSYEWWHECQ-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP CC[NH2+]C[C@H](O)CN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001449124166 967369225 /nfs/dbraw/zinc/36/92/25/967369225.db2.gz CTKZQZFPBAZMQU-AWEZNQCLSA-N 2 0 299.459 1.068 10 0 CDAERP CCC[NH+]1CCC([C@H](C)NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001449365758 967444943 /nfs/dbraw/zinc/44/49/43/967444943.db2.gz LQGSNJMRBSCBLN-AWEZNQCLSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H]1CCCC[N@H+]1CCCCNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000848989574 969383922 /nfs/dbraw/zinc/38/39/22/969383922.db2.gz XXGGTRDBUTVUKL-CABCVRRESA-N 2 0 296.459 1.886 10 0 CDAERP CC(C)[N@@H+]1CCCN(C(=O)CC[NH+]2CC[C@H](F)C2)CC1 ZINC001464765601 969814996 /nfs/dbraw/zinc/81/49/96/969814996.db2.gz CESFZCORLOSDFV-AWEZNQCLSA-N 2 0 285.407 1.363 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC001464824173 969821938 /nfs/dbraw/zinc/82/19/38/969821938.db2.gz FEQKHQODBDFOJV-OLZOCXBDSA-N 2 0 255.406 1.127 10 0 CDAERP C[C@@H](CCNC1=[NH+]CCCCN1)[NH+]1CCCCC1 ZINC000849217563 969916864 /nfs/dbraw/zinc/91/68/64/969916864.db2.gz LQTMEAJSOLMGJO-ZDUSSCGKSA-N 2 0 252.406 1.580 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001466399978 969951395 /nfs/dbraw/zinc/95/13/95/969951395.db2.gz ZUBHCSGMFWJJFS-UONOGXRCSA-N 2 0 269.433 1.517 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](C)C2)CC1 ZINC001361670511 970402598 /nfs/dbraw/zinc/40/25/98/970402598.db2.gz SHXDEYAGBVJDIG-AWEZNQCLSA-N 2 0 281.444 1.422 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC001361844893 970596684 /nfs/dbraw/zinc/59/66/84/970596684.db2.gz LSWMKIOMAADMJP-FZKCQIBNSA-N 2 0 293.455 1.850 10 0 CDAERP C[C@@H](NC(=O)CC[N@@H+]1CC[C@@H](F)C1)C(C)(C)C[NH+](C)C ZINC001361984049 970740740 /nfs/dbraw/zinc/74/07/40/970740740.db2.gz VCHXKJGNQONYCX-CHWSQXEVSA-N 2 0 287.423 1.513 10 0 CDAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C[NH2+]CCCF ZINC001495742859 972617714 /nfs/dbraw/zinc/61/77/14/972617714.db2.gz KAXQTIFVPYPFJY-CHWSQXEVSA-N 2 0 273.396 1.030 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCOC)[C@H](C)C1 ZINC001496366677 972900318 /nfs/dbraw/zinc/90/03/18/972900318.db2.gz FBMIMSVXOFVVRL-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCOC(C)C)[NH+](C)C ZINC001372561537 973003981 /nfs/dbraw/zinc/00/39/81/973003981.db2.gz ADELUNOZJDMNRM-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP C[C@H](CC[NH2+]C/C=C/Cl)NC(=O)C[NH+]1CCCC1 ZINC001497323561 973285467 /nfs/dbraw/zinc/28/54/67/973285467.db2.gz PQXQAYLAEUMTRH-FVOPLDGLSA-N 2 0 273.808 1.319 10 0 CDAERP CCC[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001497397128 973330234 /nfs/dbraw/zinc/33/02/34/973330234.db2.gz NWRYBOKMGCKAQD-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1CCC(C)C ZINC001417740981 973352405 /nfs/dbraw/zinc/35/24/05/973352405.db2.gz CHSFWOBRHNELSW-OAHLLOKOSA-N 2 0 283.460 1.907 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@H]1C[C@H]([NH2+]CC2CCCC2)C1 ZINC001417798311 973391604 /nfs/dbraw/zinc/39/16/04/973391604.db2.gz IVFPZZWYQQFPAX-WKILWMFISA-N 2 0 293.455 1.757 10 0 CDAERP COCCC[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001497661074 973454786 /nfs/dbraw/zinc/45/47/86/973454786.db2.gz CRGIQLXULNHUNP-VQGNRHNMSA-N 2 0 297.443 1.015 10 0 CDAERP C[NH+](C)CCC(=O)NCC1C[NH+](CCc2cccs2)C1 ZINC001373531107 973482417 /nfs/dbraw/zinc/48/24/17/973482417.db2.gz WGXCNGSATCHMNN-UHFFFAOYSA-N 2 0 295.452 1.290 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001417943035 973490013 /nfs/dbraw/zinc/49/00/13/973490013.db2.gz HWBPQOCXMVAUDF-STQMWFEESA-N 2 0 273.396 1.267 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001373600293 973510508 /nfs/dbraw/zinc/51/05/08/973510508.db2.gz FPGOYFIBPRHUCG-STQMWFEESA-N 2 0 285.407 1.267 10 0 CDAERP CCCC[N@@H+]1CCC[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001418129759 973603800 /nfs/dbraw/zinc/60/38/00/973603800.db2.gz RHSOPHZODJPEDZ-HOTGVXAUSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@@H](C[NH2+]CCCCCF)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001498042927 973645236 /nfs/dbraw/zinc/64/52/36/973645236.db2.gz DBPVNEYRQYDMRD-DZGCQCFKSA-N 2 0 299.434 1.562 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1ccccn1 ZINC001374326741 973894147 /nfs/dbraw/zinc/89/41/47/973894147.db2.gz HBGWNHDJJTZHCV-CQSZACIVSA-N 2 0 292.427 1.358 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)C[NH2+]CC(C)C)C1 ZINC001374927021 974181703 /nfs/dbraw/zinc/18/17/03/974181703.db2.gz HXFZXENPBGXNFQ-GJZGRUSLSA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)CC[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001375419108 974374188 /nfs/dbraw/zinc/37/41/88/974374188.db2.gz CBMODGRXYBUDII-HNNXBMFYSA-N 2 0 293.455 1.613 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+](CC2CCCC2)C1 ZINC001500256551 974412270 /nfs/dbraw/zinc/41/22/70/974412270.db2.gz COSVHBZXUAIVPM-INIZCTEOSA-N 2 0 281.444 1.709 10 0 CDAERP C[NH+](C)C1(C(=O)N2CC[C@](C)(C[NH2+]CCCF)C2)CCC1 ZINC001500353962 974425980 /nfs/dbraw/zinc/42/59/80/974425980.db2.gz IFLCZQSIVXUBAD-OAHLLOKOSA-N 2 0 299.434 1.659 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@]1(C)CCC[N@H+](CC2CCC2)C1 ZINC001500518866 974445804 /nfs/dbraw/zinc/44/58/04/974445804.db2.gz HOOKONUVBQWAND-KRWDZBQOSA-N 2 0 295.471 1.957 10 0 CDAERP CC[C@@H](C(=O)N(C)C1C[NH+](CC2CCCC2)C1)[NH+](C)C ZINC001375703360 974459868 /nfs/dbraw/zinc/45/98/68/974459868.db2.gz UFAUTNFJAYROQC-HNNXBMFYSA-N 2 0 281.444 1.659 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC001376061047 974548090 /nfs/dbraw/zinc/54/80/90/974548090.db2.gz NPJIZNDSMMWJFE-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP CCCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001501569245 974601688 /nfs/dbraw/zinc/60/16/88/974601688.db2.gz VIZYCBMRHGDHIT-BZUAXINKSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[NH2+]C[C@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001501898586 974653609 /nfs/dbraw/zinc/65/36/09/974653609.db2.gz UJGNDZKRCOSLMO-CQSZACIVSA-N 2 0 269.433 1.706 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CC[C@@H](C)O2)C1 ZINC001376490874 974675165 /nfs/dbraw/zinc/67/51/65/974675165.db2.gz LYVJKQYJSCRMPG-APIJFGDWSA-N 2 0 297.443 1.133 10 0 CDAERP CC[C@@H](C(=O)N1CCC(CC)([NH2+]CCF)CC1)[NH+](C)C ZINC001502506042 974744538 /nfs/dbraw/zinc/74/45/38/974744538.db2.gz GRNIEFRXUWBTRF-ZDUSSCGKSA-N 2 0 287.423 1.657 10 0 CDAERP CCC1([NH2+]CCOC)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001502503290 974745780 /nfs/dbraw/zinc/74/57/80/974745780.db2.gz KWXFIFUQVYUXEU-CQSZACIVSA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001376900490 974808910 /nfs/dbraw/zinc/80/89/10/974808910.db2.gz HMJLNWCOXDPVNY-KGLIPLIRSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001376920982 974819101 /nfs/dbraw/zinc/81/91/01/974819101.db2.gz JQAUEFWMZYVKOE-STQMWFEESA-N 2 0 283.391 1.021 10 0 CDAERP CCC[N@H+](C)CCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001376940395 974824927 /nfs/dbraw/zinc/82/49/27/974824927.db2.gz SPYHMKUKEJCVHF-OAHLLOKOSA-N 2 0 281.444 1.519 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CCF ZINC001377050145 974867792 /nfs/dbraw/zinc/86/77/92/974867792.db2.gz OCFYMVHKMFRLBV-KBPBESRZSA-N 2 0 287.423 1.561 10 0 CDAERP C[C@H](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CCC1 ZINC001377104221 974882911 /nfs/dbraw/zinc/88/29/11/974882911.db2.gz RBTLZTBNZBIBIR-HIFRSBDPSA-N 2 0 281.444 1.613 10 0 CDAERP CC[NH2+]CC1CC(NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001505503320 974896646 /nfs/dbraw/zinc/89/66/46/974896646.db2.gz CCLWVEMPQKTHOA-BPCQOVAHSA-N 2 0 255.406 1.077 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC(C[NH2+]C/C=C\Cl)C1 ZINC001505512328 974899212 /nfs/dbraw/zinc/89/92/12/974899212.db2.gz PWXZBLRKIUJRAZ-CZUPMACASA-N 2 0 285.819 1.318 10 0 CDAERP CC(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001505705289 974968938 /nfs/dbraw/zinc/96/89/38/974968938.db2.gz HDRJSIWLCGGJHK-KBPBESRZSA-N 2 0 283.460 1.857 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CC[NH+](C/C=C/Cl)C2)C1 ZINC001377473348 975042078 /nfs/dbraw/zinc/04/20/78/975042078.db2.gz ZDBQSWPQRDBKRS-UUQASAMASA-N 2 0 299.846 1.519 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)[NH+](C)CCOC)C1 ZINC001505986040 975073644 /nfs/dbraw/zinc/07/36/44/975073644.db2.gz ODYNSQJEOYSUBK-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001377673570 975108543 /nfs/dbraw/zinc/10/85/43/975108543.db2.gz TVMWUROTDMYGBX-RDJZCZTQSA-N 2 0 293.455 1.805 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001377705826 975117630 /nfs/dbraw/zinc/11/76/30/975117630.db2.gz HQTGCIVVJGPFJU-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP C[N@H+](CCCF)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001377773452 975136889 /nfs/dbraw/zinc/13/68/89/975136889.db2.gz WQHJZKFTPKMFHY-KBPBESRZSA-N 2 0 285.407 1.078 10 0 CDAERP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1ccccn1 ZINC001377849529 975155417 /nfs/dbraw/zinc/15/54/17/975155417.db2.gz NJSJQSKLWRGABC-STQMWFEESA-N 2 0 278.400 1.016 10 0 CDAERP C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]C/C=C\Cl ZINC001507150203 975354902 /nfs/dbraw/zinc/35/49/02/975354902.db2.gz UXJADYHORFHYFP-GCLPIYDQSA-N 2 0 285.819 1.271 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C[NH2+]CC1CC1 ZINC001378595978 975410068 /nfs/dbraw/zinc/41/00/68/975410068.db2.gz NZNCGZMHTFJZOX-IPYPFGDCSA-N 2 0 281.444 1.469 10 0 CDAERP CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC1(C)C ZINC001507445709 975472713 /nfs/dbraw/zinc/47/27/13/975472713.db2.gz HTOJIHJUNVPJSF-CYBMUJFWSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)[C@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CCC1CC1)[NH+](C)C ZINC001388653735 975537584 /nfs/dbraw/zinc/53/75/84/975537584.db2.gz RJSOLEOQGLOLOA-HZPDHXFCSA-N 2 0 295.471 1.905 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001388661460 975541660 /nfs/dbraw/zinc/54/16/60/975541660.db2.gz KYLOCIJTKVZDBR-HNNXBMFYSA-N 2 0 281.444 1.661 10 0 CDAERP C[NH+](C)CCC(=O)N1CCCC[C@H]1C[N@H+](C)CC1CC1 ZINC001388832884 975615300 /nfs/dbraw/zinc/61/53/00/975615300.db2.gz CEKVCIQVVAUASM-HNNXBMFYSA-N 2 0 281.444 1.661 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC[C@H](C)F)C1 ZINC001405080805 975618082 /nfs/dbraw/zinc/61/80/82/975618082.db2.gz VTSYAHNERZDPPV-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP CN(CC[N@H+](C)Cc1ccsc1)C(=O)CC[NH+](C)C ZINC001379092062 975655023 /nfs/dbraw/zinc/65/50/23/975655023.db2.gz BASXHUYRDPLGGB-UHFFFAOYSA-N 2 0 283.441 1.590 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CCOC ZINC001397743581 975699396 /nfs/dbraw/zinc/69/93/96/975699396.db2.gz WRPAVKPYWFYXLQ-UONOGXRCSA-N 2 0 297.443 1.086 10 0 CDAERP C[C@@H](F)CC[NH2+][C@@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001379228300 975723755 /nfs/dbraw/zinc/72/37/55/975723755.db2.gz SPPVWBJOMDDCHL-OLZOCXBDSA-N 2 0 287.423 1.513 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001389455922 975839949 /nfs/dbraw/zinc/83/99/49/975839949.db2.gz FQUMEMIRAUGAQV-STQMWFEESA-N 2 0 285.407 1.409 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001398335555 975946954 /nfs/dbraw/zinc/94/69/54/975946954.db2.gz OFBQKGUUEXXIER-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@@H](C[N@H+](C)CC1CCC1)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001379667721 975999097 /nfs/dbraw/zinc/99/90/97/975999097.db2.gz JJFNPPYVNOQHCT-GZBFAFLISA-N 2 0 281.444 1.563 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccsc2)C1 ZINC001389826058 976007062 /nfs/dbraw/zinc/00/70/62/976007062.db2.gz KBSDPSKONMXDMR-AWEZNQCLSA-N 2 0 295.452 1.779 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCC3)C2)CC1 ZINC001389991001 976063209 /nfs/dbraw/zinc/06/32/09/976063209.db2.gz OEFDZTGEDAOCCT-OKILXGFUSA-N 2 0 279.428 1.365 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CC[C@@H](C)O2)C1 ZINC001390012217 976084665 /nfs/dbraw/zinc/08/46/65/976084665.db2.gz QWTMKEJQFKYJJA-APIJFGDWSA-N 2 0 297.443 1.133 10 0 CDAERP CC[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1CCCF)[NH+](C)C ZINC001398779270 976145476 /nfs/dbraw/zinc/14/54/76/976145476.db2.gz WHWITTOJFUOKLJ-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001406365065 976151495 /nfs/dbraw/zinc/15/14/95/976151495.db2.gz YGRMHKDBIXUUDB-ZIAGYGMSSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001402231265 976190013 /nfs/dbraw/zinc/19/00/13/976190013.db2.gz NGYLWBMZURBCLP-CQSZACIVSA-N 2 0 283.460 1.953 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001402517927 976329115 /nfs/dbraw/zinc/32/91/15/976329115.db2.gz UYFUKGNUGYBYFH-MGPQQGTHSA-N 2 0 281.444 1.754 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001402533321 976340578 /nfs/dbraw/zinc/34/05/78/976340578.db2.gz DQBVRHGSFUIKNF-KKUMJFAQSA-N 2 0 283.460 1.856 10 0 CDAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC1CCCC1 ZINC001390516587 976349290 /nfs/dbraw/zinc/34/92/90/976349290.db2.gz YDNOBJINKQHOLV-ZDUSSCGKSA-N 2 0 279.428 1.367 10 0 CDAERP CC[C@H](F)C[N@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001399278848 976408903 /nfs/dbraw/zinc/40/89/03/976408903.db2.gz LSEAMNRBRUIHTD-GJZGRUSLSA-N 2 0 299.434 1.753 10 0 CDAERP CN(CCC[N@H+](C)CCCF)C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001402650186 976425142 /nfs/dbraw/zinc/42/51/42/976425142.db2.gz BKVQFHZVFNJQPU-INIZCTEOSA-N 2 0 299.434 1.612 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CC[NH+]1CC1CCC1 ZINC001406840241 976434320 /nfs/dbraw/zinc/43/43/20/976434320.db2.gz HEXBKMXYYRRUPJ-CVEARBPZSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccn1 ZINC001390717628 976451066 /nfs/dbraw/zinc/45/10/66/976451066.db2.gz GENBGDFOFAECDO-ZIAGYGMSSA-N 2 0 290.411 1.018 10 0 CDAERP C[C@H](c1cccc(F)c1)[N@H+](C)CCNC(=O)CC[NH+](C)C ZINC001399574715 976577820 /nfs/dbraw/zinc/57/78/20/976577820.db2.gz ZWOUOBYPCJDIQR-CYBMUJFWSA-N 2 0 295.402 1.886 10 0 CDAERP C[C@@H](F)CC[NH2+][C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001402927987 976594694 /nfs/dbraw/zinc/59/46/94/976594694.db2.gz LFCKLEATUKZASR-OLZOCXBDSA-N 2 0 285.407 1.457 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@]1(C)CC[NH+](CCC(C)C)C1 ZINC001407195860 976598604 /nfs/dbraw/zinc/59/86/04/976598604.db2.gz DXYRTXYBBUNSJL-MRXNPFEDSA-N 2 0 283.460 1.955 10 0 CDAERP CC[N@H+](CCNC(=O)C[NH+](C)C(C)C)Cc1ccccn1 ZINC001391020737 976649335 /nfs/dbraw/zinc/64/93/35/976649335.db2.gz LLPXDMQCFHWJTO-UHFFFAOYSA-N 2 0 292.427 1.360 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]1CC[C@H](C)F ZINC001391072575 976673795 /nfs/dbraw/zinc/67/37/95/976673795.db2.gz TUUBZZDWJVAJHD-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001399885506 976717785 /nfs/dbraw/zinc/71/77/85/976717785.db2.gz XPSSVMAXZMSYOT-CQSZACIVSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001403131354 976747013 /nfs/dbraw/zinc/74/70/13/976747013.db2.gz VFKXAVRDZNRUSZ-ZFWWWQNUSA-N 2 0 281.444 1.421 10 0 CDAERP CCC[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)C1CC1 ZINC001391183383 976748407 /nfs/dbraw/zinc/74/84/07/976748407.db2.gz KXRUACAAXFOLBD-CVEARBPZSA-N 2 0 293.455 1.994 10 0 CDAERP CCC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C[C@@H](C)CC ZINC001399939897 976760861 /nfs/dbraw/zinc/76/08/61/976760861.db2.gz IWDITOSFGBLRJT-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001391294971 976800027 /nfs/dbraw/zinc/80/00/27/976800027.db2.gz ITQXLNWBWNYASB-DZGCQCFKSA-N 2 0 279.428 1.176 10 0 CDAERP CC(C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3([NH+](C)C)CCC3)[C@@H]2C1 ZINC001403383896 976920861 /nfs/dbraw/zinc/92/08/61/976920861.db2.gz IIKLARBKTMZXOL-ZSOGYDGISA-N 2 0 279.428 1.173 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@@H]1[C@H]2C[N@@H+](CCC3CC3)C[C@H]21 ZINC001403423962 976945527 /nfs/dbraw/zinc/94/55/27/976945527.db2.gz RYNRYOGLTAJIHT-PHZGNYQRSA-N 2 0 291.439 1.176 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)CC1CCCC1 ZINC001381629823 976958350 /nfs/dbraw/zinc/95/83/50/976958350.db2.gz QYURMRNTQUGHNH-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP Cc1ncoc1C[NH2+][C@@H](C)CCNC(=O)C[N@H+](C)C(C)C ZINC001403489242 976987494 /nfs/dbraw/zinc/98/74/94/976987494.db2.gz PRGOSYGKFVHJQF-LBPRGKRZSA-N 2 0 296.415 1.308 10 0 CDAERP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC[C@@H](C)F ZINC001391747864 977081565 /nfs/dbraw/zinc/08/15/65/977081565.db2.gz HVUIKKOODNLQLW-CHWSQXEVSA-N 2 0 273.396 1.315 10 0 CDAERP C[C@@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]CC1CCC1 ZINC001403634356 977116911 /nfs/dbraw/zinc/11/69/11/977116911.db2.gz RJOZCXMQYXRRDW-ZDUSSCGKSA-N 2 0 279.428 1.319 10 0 CDAERP COC[C@@H](C)[NH2+]C[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001391945325 977159249 /nfs/dbraw/zinc/15/92/49/977159249.db2.gz ZCDPNSSWAOQTRS-UONOGXRCSA-N 2 0 299.459 1.238 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001392121321 977226568 /nfs/dbraw/zinc/22/65/68/977226568.db2.gz KBDHPPPCWIVNDG-STQMWFEESA-N 2 0 285.407 1.267 10 0 CDAERP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CC1CC(F)(F)C1 ZINC001400868106 977230815 /nfs/dbraw/zinc/23/08/15/977230815.db2.gz XDELYJLKFYMLRE-LBPRGKRZSA-N 2 0 291.386 1.468 10 0 CDAERP Cc1oncc1C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001382314656 977245179 /nfs/dbraw/zinc/24/51/79/977245179.db2.gz MSVCQIZYPLHPHK-BXUZGUMPSA-N 2 0 294.399 1.014 10 0 CDAERP CCCC[N@H+](C)C[C@@H](O)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001403898146 977250326 /nfs/dbraw/zinc/25/03/26/977250326.db2.gz OHZZHOVMFKOUJP-CQSZACIVSA-N 2 0 299.459 1.022 10 0 CDAERP CC(C)[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CC1CC1 ZINC001392215403 977266022 /nfs/dbraw/zinc/26/60/22/977266022.db2.gz CFSUZFNSLOJGCD-HOTGVXAUSA-N 2 0 293.455 1.469 10 0 CDAERP COCC[N@H+](C)CCN(C(=O)C[NH+]1CC[C@@H](C)C1)C(C)C ZINC001403931422 977269007 /nfs/dbraw/zinc/26/90/07/977269007.db2.gz GIWKNIALWLQZPV-OAHLLOKOSA-N 2 0 299.459 1.143 10 0 CDAERP CCC[NH+]1CCC([C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001382560029 977307655 /nfs/dbraw/zinc/30/76/55/977307655.db2.gz JFSRZSFBMGDSFP-CABCVRRESA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](F)CN(C)CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001392323169 977408560 /nfs/dbraw/zinc/40/85/60/977408560.db2.gz RTGFMDJNMASUMM-ZIAGYGMSSA-N 2 0 289.439 1.711 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH+](C)CCCF)CC[N@@H+]1C ZINC001392638155 977519841 /nfs/dbraw/zinc/51/98/41/977519841.db2.gz AOPKJZBHYVVSGG-MELADBBJSA-N 2 0 287.423 1.513 10 0 CDAERP CC[C@H](C(=O)N[C@]1(C)CC[N@H+](CCC(C)C)C1)[NH+](C)C ZINC001393101651 977700646 /nfs/dbraw/zinc/70/06/46/977700646.db2.gz HQERXVZECSBMKC-GDBMZVCRSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001393402973 977780882 /nfs/dbraw/zinc/78/08/82/977780882.db2.gz ZBKQPAAJGGMWOC-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001393646145 977882593 /nfs/dbraw/zinc/88/25/93/977882593.db2.gz VNNOYHUZIWDVOV-GJZGRUSLSA-N 2 0 283.460 1.907 10 0 CDAERP CCC1([NH2+]CCF)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001393681315 977894484 /nfs/dbraw/zinc/89/44/84/977894484.db2.gz WGRAGVGPMOIBHP-UHFFFAOYSA-N 2 0 297.418 1.413 10 0 CDAERP CC(C)CCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001394048863 978031048 /nfs/dbraw/zinc/03/10/48/978031048.db2.gz ZHVXTKFXDZSBIJ-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC2CCC2)CC1(C)C ZINC001394295837 978129527 /nfs/dbraw/zinc/12/95/27/978129527.db2.gz AOLLRUKWCVKPMS-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1cccnc1)[NH+](C)C ZINC001394496003 978182291 /nfs/dbraw/zinc/18/22/91/978182291.db2.gz MVUFKGSHCXSCMH-DZGCQCFKSA-N 2 0 292.427 1.358 10 0 CDAERP Cc1nccn1CC(=O)NC1CC(C[NH2+]CC[C@@H](C)F)C1 ZINC001674608752 1173967614 /nfs/dbraw/zinc/96/76/14/1173967614.db2.gz UDGAUKLPOSMBTL-LMWSTFAQSA-N 2 0 296.390 1.424 10 0 CDAERP CC[NH2+]CCCOC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001675160166 1174080425 /nfs/dbraw/zinc/08/04/25/1174080425.db2.gz LKBIHMYXWPEUDR-UHFFFAOYSA-N 2 0 297.443 1.089 10 0 CDAERP CC(C)C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCC1 ZINC001570126345 1170086927 /nfs/dbraw/zinc/08/69/27/1170086927.db2.gz LVYQQTVWEFUPNE-UHFFFAOYSA-N 2 0 267.417 1.367 10 0 CDAERP CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001571256807 1170355984 /nfs/dbraw/zinc/35/59/84/1170355984.db2.gz CNXOONDQHRONIM-JHJVBQTASA-N 2 0 255.406 1.221 10 0 CDAERP O=C(CCC[NH+]1CCCC1)N[C@@H]1CC[C@H](C[NH2+]CCF)C1 ZINC001571550255 1170474051 /nfs/dbraw/zinc/47/40/51/1170474051.db2.gz MGEQEJZOEPJGPJ-LSDHHAIUSA-N 2 0 299.434 1.706 10 0 CDAERP C[NH+](C)C[C@H]1CC[N@H+](CC2(O)CCCCCC2)C1 ZINC001654112719 1171594531 /nfs/dbraw/zinc/59/45/31/1171594531.db2.gz GTGOGXARFQYZJF-CQSZACIVSA-N 2 0 254.418 1.955 10 0 CDAERP CC(C)C[NH2+]C[C@H](O)CO[C@@H]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000675079986 539085841 /nfs/dbraw/zinc/08/58/41/539085841.db2.gz KMDPRMMJNNVBMA-BARDWOONSA-N 2 0 270.417 1.140 10 0 CDAERP COc1cc(N2CC[NH2+]CC2)c2cc(C)ccc2n1 ZINC000118315207 341996747 /nfs/dbraw/zinc/99/67/47/341996747.db2.gz QQTLRELISJZOPG-UHFFFAOYSA-N 2 0 257.337 1.961 10 0 CDAERP [NH3+]CC1(CC[NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000650714123 398156869 /nfs/dbraw/zinc/15/68/69/398156869.db2.gz SHHZYMYIYRYQJH-UHFFFAOYSA-N 3 0 251.418 1.579 10 0 CDAERP CC1(C)[C@H]([NH2+]CCC2(C[NH3+])CC2)[C@@H]2CCCO[C@H]21 ZINC000650745280 398173305 /nfs/dbraw/zinc/17/33/05/398173305.db2.gz CUKBKWFUJBROPA-YNEHKIRRSA-N 2 0 252.402 1.909 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCOC[C@@H]2CCCO2)[C@@H](C)C1 ZINC000533395179 282117725 /nfs/dbraw/zinc/11/77/25/282117725.db2.gz XBKILQBYBOZVLY-JYJNAYRXSA-N 2 0 284.444 1.844 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)NC[C@H](C)[NH+](C)C1CC1 ZINC000650847410 398243367 /nfs/dbraw/zinc/24/33/67/398243367.db2.gz VJINTCZSJHMRCN-AWEZNQCLSA-N 2 0 298.475 1.746 10 0 CDAERP CC(C)[C@H](C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)[NH+](C)C ZINC000617011303 342606519 /nfs/dbraw/zinc/60/65/19/342606519.db2.gz BOXJXXPJVZICIB-CHWSQXEVSA-N 2 0 269.433 1.562 10 0 CDAERP CC(C)(C)[NH+]1CCC(NCC2([NH3+])CCOCC2)CC1 ZINC000629389505 361894510 /nfs/dbraw/zinc/89/45/10/361894510.db2.gz YZXAOJZUHOAFLJ-UHFFFAOYSA-N 2 0 269.433 1.347 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1ncccc1C(F)(F)F ZINC000629400495 361938093 /nfs/dbraw/zinc/93/80/93/361938093.db2.gz ZJVPZIPRVSESPU-UHFFFAOYSA-N 2 0 277.290 1.555 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCOCC[NH2+]C)C[C@H]1C ZINC000600677629 342242046 /nfs/dbraw/zinc/24/20/46/342242046.db2.gz IAGSQGQAUQWYPJ-MGPQQGTHSA-N 2 0 286.416 1.180 10 0 CDAERP C/C=C\C[NH2+][C@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000600709537 342243410 /nfs/dbraw/zinc/24/34/10/342243410.db2.gz KTIDBJSRIVZWCJ-TXNVCOODSA-N 2 0 254.374 1.474 10 0 CDAERP CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1nccn1C ZINC000252692623 539079203 /nfs/dbraw/zinc/07/92/03/539079203.db2.gz AFPBLPODHCQKPO-KGLIPLIRSA-N 2 0 262.401 1.869 10 0 CDAERP CC(C)[C@@H]1CC[C@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000353454427 539097855 /nfs/dbraw/zinc/09/78/55/539097855.db2.gz KAKBNDVHAMTFDG-LSDHHAIUSA-N 2 0 253.434 1.648 10 0 CDAERP CC(C)N1CC[C@H]([NH3+])[C@@]12CCN(C(=O)OC(C)(C)C)C2 ZINC000685955346 539116455 /nfs/dbraw/zinc/11/64/55/539116455.db2.gz XZAFMRYXNRRCOA-WFASDCNBSA-N 2 0 283.416 1.807 10 0 CDAERP CCN(CCO)CC[NH2+]Cc1cccc2cnccc21 ZINC000184547934 539146047 /nfs/dbraw/zinc/14/60/47/539146047.db2.gz CRGJUDDSNPMMST-UHFFFAOYSA-N 2 0 273.380 1.639 10 0 CDAERP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)CSCCF)CC1 ZINC000595006197 342989305 /nfs/dbraw/zinc/98/93/05/342989305.db2.gz GYYHPYOIBPABFF-KBPBESRZSA-N 2 0 291.480 1.693 10 0 CDAERP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000108552249 349743922 /nfs/dbraw/zinc/74/39/22/349743922.db2.gz PALBTXOITBJNEC-UONOGXRCSA-N 2 0 284.448 1.358 10 0 CDAERP CCC[C@@H](C)CCC[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000629508676 362120185 /nfs/dbraw/zinc/12/01/85/362120185.db2.gz YUFLZUBNOLANRJ-CQSZACIVSA-N 2 0 269.433 1.566 10 0 CDAERP COc1ccc(C[C@H](C)[NH2+]CC2([NH3+])CCOCC2)cn1 ZINC000629522313 362141667 /nfs/dbraw/zinc/14/16/67/362141667.db2.gz ZQOONXYMGUGFFX-LBPRGKRZSA-N 2 0 279.384 1.119 10 0 CDAERP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)[C@H]1C ZINC000596651992 343371231 /nfs/dbraw/zinc/37/12/31/343371231.db2.gz DWPGHPASUFEYQH-AWROSEJGSA-N 2 0 266.385 1.306 10 0 CDAERP C[C@H](c1nc([C@H]2C[NH2+]CCN2C)no1)N1CCCCCC1 ZINC000263175462 362176680 /nfs/dbraw/zinc/17/66/80/362176680.db2.gz GDIDCTFRBKAXGH-CHWSQXEVSA-N 2 0 293.415 1.583 10 0 CDAERP COc1cc2[nH+]c3c(c(N)c2cc1OC)C[C@H](C[NH3+])C3 ZINC000140487921 342447651 /nfs/dbraw/zinc/44/76/51/342447651.db2.gz BVXSYKNZKMYRQC-QMMMGPOBSA-N 2 0 273.336 1.508 10 0 CDAERP CC[N@@H+]1CC[C@H]2OCCN(CC[NH+]3CCC(C)CC3)[C@H]2C1 ZINC000645178008 362222585 /nfs/dbraw/zinc/22/25/85/362222585.db2.gz DVRJQSZLKZTFOB-DLBZAZTESA-N 2 0 295.471 1.513 10 0 CDAERP C[NH2+]CCCC(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000417845206 529962439 /nfs/dbraw/zinc/96/24/39/529962439.db2.gz XMZBRUKXCUQMTF-UHFFFAOYSA-N 2 0 282.413 1.548 10 0 CDAERP CC(C)[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2O)C[C@@H]1C ZINC000263266476 362411923 /nfs/dbraw/zinc/41/19/23/362411923.db2.gz RQBSFPSMKMGNEI-YYFQZIEXSA-N 2 0 254.418 1.617 10 0 CDAERP OC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000401077505 482532039 /nfs/dbraw/zinc/53/20/39/482532039.db2.gz MTOVPEVVKPDOIG-ARILJUKYSA-N 2 0 252.402 1.515 10 0 CDAERP CC[NH+](CC)CCCNC(=O)CC1([NH3+])CCCC1 ZINC000084162798 178810821 /nfs/dbraw/zinc/81/08/21/178810821.db2.gz DCHARBWMGFAZGM-UHFFFAOYSA-N 2 0 255.406 1.496 10 0 CDAERP C[NH+](C)C1CCN(C(=O)CC2([NH3+])CCCC2)CC1 ZINC000084164713 178811466 /nfs/dbraw/zinc/81/14/66/178811466.db2.gz ZVLWNCDHQKKJJC-UHFFFAOYSA-N 2 0 253.390 1.201 10 0 CDAERP [NH3+][C@H]1CCC[C@H]1C(=O)NCCC[NH+]1CCCCC1 ZINC000085358226 179031382 /nfs/dbraw/zinc/03/13/82/179031382.db2.gz FFULDKBBWGZBPQ-OLZOCXBDSA-N 2 0 253.390 1.106 10 0 CDAERP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085356328 179030137 /nfs/dbraw/zinc/03/01/37/179030137.db2.gz RBUYKWHILZBFGT-IHRRRGAJSA-N 2 0 269.433 1.741 10 0 CDAERP CC(C)[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000085367772 179037644 /nfs/dbraw/zinc/03/76/44/179037644.db2.gz NLXBSXFQHMQWNF-HUUCEWRRSA-N 2 0 281.444 1.835 10 0 CDAERP CCc1nc2c(n1CC[NH+]1CCCCC1)CC[NH2+]C2 ZINC000085572720 179097526 /nfs/dbraw/zinc/09/75/26/179097526.db2.gz LLJPLVUEMJJDDZ-UHFFFAOYSA-N 2 0 262.401 1.577 10 0 CDAERP CC(C)[N@H+](C)CCn1c2c(nc1C(F)(F)F)C[NH2+]CC2 ZINC000085570939 179096234 /nfs/dbraw/zinc/09/62/34/179096234.db2.gz ORGRJCUSSZXPEM-UHFFFAOYSA-N 2 0 290.333 1.888 10 0 CDAERP CC(C)Cc1nc2c(n1C[C@H]1CC[N@H+](C)C1)CC[NH2+]C2 ZINC000085570433 179096502 /nfs/dbraw/zinc/09/65/02/179096502.db2.gz BWVCMBAUEFCSPV-ZDUSSCGKSA-N 2 0 276.428 1.679 10 0 CDAERP CC[NH+](CC)CCn1c2c(nc1C(F)(F)F)C[NH2+]CC2 ZINC000085569402 179096601 /nfs/dbraw/zinc/09/66/01/179096601.db2.gz MACQJZGMTSBWNB-UHFFFAOYSA-N 2 0 290.333 1.889 10 0 CDAERP CCc1nc2c(n1[C@@H](C)C[NH+]1CCCC1)CC[NH2+]C2 ZINC000085573492 179098359 /nfs/dbraw/zinc/09/83/59/179098359.db2.gz AOJBBNIHPOPROJ-LBPRGKRZSA-N 2 0 262.401 1.748 10 0 CDAERP C[C@@H](Cn1c2c(nc1C(F)(F)F)C[NH2+]CC2)[NH+](C)C ZINC000085573145 179098765 /nfs/dbraw/zinc/09/87/65/179098765.db2.gz QEJZIUDDZZSGBT-QMMMGPOBSA-N 2 0 276.306 1.498 10 0 CDAERP C[NH+](C)CCn1c2c(nc1C1CCCC1)C[NH2+]CC2 ZINC000085605832 179100152 /nfs/dbraw/zinc/10/01/52/179100152.db2.gz DQYQSKQKVLWOBL-UHFFFAOYSA-N 2 0 262.401 1.748 10 0 CDAERP CCOCC[N@@H+]1CCN(CCC[NH+](CC)CC)C[C@H]1C ZINC000191784934 362768348 /nfs/dbraw/zinc/76/83/48/362768348.db2.gz WAQWQBFQPIICKC-MRXNPFEDSA-N 2 0 285.476 1.761 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC(=O)N(C3CC3)C2)CC1(C)C ZINC000623439545 346758352 /nfs/dbraw/zinc/75/83/52/346758352.db2.gz NWTNCYGSPWADPX-RYUDHWBXSA-N 2 0 265.401 1.212 10 0 CDAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000114073918 365866451 /nfs/dbraw/zinc/86/64/51/365866451.db2.gz IPIHVDMARZZTSU-HOTGVXAUSA-N 2 0 289.423 1.370 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000352054851 362811834 /nfs/dbraw/zinc/81/18/34/362811834.db2.gz IPFDEYLZHSACTR-ZIAGYGMSSA-N 2 0 279.428 1.604 10 0 CDAERP CC[N@@H+]1CCN(C(=O)[C@@H]2CCc3[nH]cnc3C2)C[C@H]1C ZINC000612953131 347336824 /nfs/dbraw/zinc/33/68/24/347336824.db2.gz XVJCSQMSUCGYNZ-VXGBXAGGSA-N 2 0 276.384 1.067 10 0 CDAERP CC[C@H]1C[NH2+][C@H](C2CC2)CN1C1CC[NH+](C)CC1 ZINC000086217828 179250121 /nfs/dbraw/zinc/25/01/21/179250121.db2.gz VTYKEBBUOXCLRG-ZFWWWQNUSA-N 2 0 251.418 1.543 10 0 CDAERP CC[C@@H]1CN(C[C@@H]2CC[N@H+](CC)C2)[C@@H](CC)C[NH2+]1 ZINC000086223053 179250602 /nfs/dbraw/zinc/25/06/02/179250602.db2.gz RWXUHOMSWBNSRI-KFWWJZLASA-N 2 0 253.434 1.791 10 0 CDAERP CC[C@H]1C[NH2+][C@@](C)(CC)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086182614 179247582 /nfs/dbraw/zinc/24/75/82/179247582.db2.gz ZNGHGLNDWWUJCW-XHSDSOJGSA-N 2 0 265.445 1.933 10 0 CDAERP CC[C@@H]1C[NH2+][C@@H](C2CC2)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086259625 179258092 /nfs/dbraw/zinc/25/80/92/179258092.db2.gz PIDRQHLRXZCVSB-FVQBIDKESA-N 2 0 263.429 1.686 10 0 CDAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623494988 347603771 /nfs/dbraw/zinc/60/37/71/347603771.db2.gz MAFMPAICNWZFNV-HZPDHXFCSA-N 3 0 296.503 1.475 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)CC1(C)C ZINC000623560106 347631836 /nfs/dbraw/zinc/63/18/36/347631836.db2.gz VSAYFHJIXFIDKN-QWHCGFSZSA-N 2 0 279.428 1.460 10 0 CDAERP Cn1nnc2c1CC[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C2 ZINC000623561497 347633345 /nfs/dbraw/zinc/63/33/45/347633345.db2.gz PAINNEVLQMPNIP-RYUDHWBXSA-N 2 0 277.416 1.135 10 0 CDAERP Cc1cc(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)ccn1 ZINC000623563224 347634363 /nfs/dbraw/zinc/63/43/63/347634363.db2.gz RNXXRXQOPFTYAZ-HNNXBMFYSA-N 2 0 278.444 1.752 10 0 CDAERP C[C@@H]1C[C@@H](C[N@H+](C)[C@@H]2CCN(C3CC3)C2)CC[NH2+]1 ZINC000414691882 365948977 /nfs/dbraw/zinc/94/89/77/365948977.db2.gz KAWHHAYPEYCMLE-VNHYZAJKSA-N 2 0 251.418 1.543 10 0 CDAERP C[C@@H]1C[C@@H](C[NH+]2CCC(c3ncc[nH]3)CC2)CC[NH2+]1 ZINC000334850826 297251397 /nfs/dbraw/zinc/25/13/97/297251397.db2.gz VQXAMZUINDWRQS-OLZOCXBDSA-N 2 0 262.401 1.977 10 0 CDAERP COCC[NH2+]Cc1sc(N(C)CC[NH+](C)C)nc1C ZINC000104204395 185930047 /nfs/dbraw/zinc/93/00/47/185930047.db2.gz QXJUCOOOVXGKHP-UHFFFAOYSA-N 2 0 286.445 1.185 10 0 CDAERP CCO[C@H](C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1)C1CC1 ZINC000629536248 362951307 /nfs/dbraw/zinc/95/13/07/362951307.db2.gz GOAGXOACUGNULC-LSDHHAIUSA-N 2 0 293.415 1.189 10 0 CDAERP C[C@@H]1CC[C@H](N[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)C[NH2+]1 ZINC000629538483 362955038 /nfs/dbraw/zinc/95/50/38/362955038.db2.gz KGVFPLPNPOIUID-FQKPHLNHSA-N 2 0 251.418 1.589 10 0 CDAERP CC(C)[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH2+]1 ZINC000621158512 350466551 /nfs/dbraw/zinc/46/65/51/350466551.db2.gz QUONABKIISQHEE-MELADBBJSA-N 2 0 267.417 1.173 10 0 CDAERP CC[NH+](CC)CCNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106423791 186116112 /nfs/dbraw/zinc/11/61/12/186116112.db2.gz IQJVVUYMQGWKIF-MRXNPFEDSA-N 2 0 291.439 1.617 10 0 CDAERP CC(C)O[C@@H]1C[C@@H]([NH2+]CCOCCC[NH3+])C1(C)C ZINC000629535448 362961254 /nfs/dbraw/zinc/96/12/54/362961254.db2.gz DCFFPRDKSIJSNC-CHWSQXEVSA-N 2 0 258.406 1.534 10 0 CDAERP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCOCCC[NH3+] ZINC000629541134 362964862 /nfs/dbraw/zinc/96/48/62/362964862.db2.gz WPOJXLIGIXUIHD-KBPBESRZSA-N 3 0 257.422 1.252 10 0 CDAERP C1CC1[C@@H]1C[C@@H]([NH2+][C@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CO1 ZINC000629545901 362972823 /nfs/dbraw/zinc/97/28/23/362972823.db2.gz DAFKKUKBHDIJCV-YXMSTPNBSA-N 2 0 280.412 1.301 10 0 CDAERP CCn1nccc1CC[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000621774015 350770093 /nfs/dbraw/zinc/77/00/93/350770093.db2.gz IMGNYSLFQLPPEA-CQSZACIVSA-N 2 0 252.406 1.751 10 0 CDAERP CCn1nccc1CC[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000621776324 350772690 /nfs/dbraw/zinc/77/26/90/350772690.db2.gz JARYHZZOOPGQTF-RDBSUJKOSA-N 2 0 264.417 1.751 10 0 CDAERP CN(CC1C[NH+](C)C1)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000622161672 351044575 /nfs/dbraw/zinc/04/45/75/351044575.db2.gz GBAFEGOYIDOPMA-AWEZNQCLSA-N 2 0 267.417 1.271 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)[C@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000629565262 363016309 /nfs/dbraw/zinc/01/63/09/363016309.db2.gz DWDXRHKLKMULHV-QLFBSQMISA-N 2 0 299.459 1.047 10 0 CDAERP COCCN1CCC[C@@H]1C[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000623886337 351318370 /nfs/dbraw/zinc/31/83/70/351318370.db2.gz ZFJAIROKBCCPGH-RBSFLKMASA-N 2 0 270.417 1.644 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)C[C@H](OC)C1CCCCC1 ZINC000629571997 363027795 /nfs/dbraw/zinc/02/77/95/363027795.db2.gz LQEXTYIVMMDEAF-HNNXBMFYSA-N 2 0 272.433 1.750 10 0 CDAERP O[C@H](C[NH2+]CCC[C@@H]1CCCC[C@H]1O)C[NH+]1CCCC1 ZINC000629584225 363039253 /nfs/dbraw/zinc/03/92/53/363039253.db2.gz RSLNCWZBTQKDJU-ARFHVFGLSA-N 2 0 284.444 1.364 10 0 CDAERP C/C=C\C[C@H]1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000629594367 363114883 /nfs/dbraw/zinc/11/48/83/363114883.db2.gz BHHSJHTWGQEBAF-GWQWAINWSA-N 2 0 279.428 1.487 10 0 CDAERP C[N@H+](C[C@@H](O)CNC[C@H]1CC[NH+]1C1CCCC1)C1CC1 ZINC000629601109 363157072 /nfs/dbraw/zinc/15/70/72/363157072.db2.gz GJHFPFDVKHAQMU-CVEARBPZSA-N 2 0 281.444 1.048 10 0 CDAERP CO[C@@H]1CCC[C@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000685042639 482700750 /nfs/dbraw/zinc/70/07/50/482700750.db2.gz IQQZMCCSCNDUQS-LSDHHAIUSA-N 2 0 283.460 1.560 10 0 CDAERP C[C@H](C[NH2+]CCOCCC[NH3+])c1ccc(F)cc1 ZINC000629681823 363330759 /nfs/dbraw/zinc/33/07/59/363330759.db2.gz VFFWKASTYYBQIY-GFCCVEGCSA-N 2 0 254.349 1.884 10 0 CDAERP Cc1cn2cc(NC(=O)N3CC[N@@H+]4CCC[C@@H]4C3)ccc2n1 ZINC000265711631 363381815 /nfs/dbraw/zinc/38/18/15/363381815.db2.gz LUQBTBNLCWTKPA-CQSZACIVSA-N 2 0 299.378 1.955 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](C3CCCC3)CC2)CC[NH2+]1 ZINC000262479348 291044262 /nfs/dbraw/zinc/04/42/62/291044262.db2.gz XTEJGMNBRNAKLF-KBPBESRZSA-N 2 0 293.455 1.898 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000036192201 356230278 /nfs/dbraw/zinc/23/02/78/356230278.db2.gz LSLFDTFUDKNIJJ-MRXNPFEDSA-N 2 0 287.407 1.254 10 0 CDAERP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634766142 358503421 /nfs/dbraw/zinc/50/34/21/358503421.db2.gz SPVZJGAYDFCROE-AYDFFVQHSA-N 2 0 277.412 1.119 10 0 CDAERP CC[N@@H+]1CC[C@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000037644291 356511038 /nfs/dbraw/zinc/51/10/38/356511038.db2.gz XHXDOAKURZEZPL-OAHLLOKOSA-N 3 0 288.439 1.982 10 0 CDAERP C[C@@](O)(C[C@@H](O)C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)C1CC1 ZINC000634636826 356615158 /nfs/dbraw/zinc/61/51/58/356615158.db2.gz KLQOAMICPJXMCG-RHSMWYFYSA-N 2 0 298.471 1.797 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+]1CCC(OC)CC1 ZINC000079681132 538486600 /nfs/dbraw/zinc/48/66/00/538486600.db2.gz JIYXNQRUZBWTAW-OAHLLOKOSA-N 2 0 297.443 1.088 10 0 CDAERP COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414759820 366324115 /nfs/dbraw/zinc/32/41/15/366324115.db2.gz XIQWPDHKSUMGRP-KHMAMNHCSA-N 2 0 280.412 1.648 10 0 CDAERP C[NH2+]CCC[NH2+]CCCCCCC[NH2+]CCC[NH2+]C ZINC000013650032 356687429 /nfs/dbraw/zinc/68/74/29/356687429.db2.gz BASLLELESXEQMU-UHFFFAOYSA-N 4 0 272.481 1.335 10 0 CDAERP CCNC(=O)C(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000367627219 357484949 /nfs/dbraw/zinc/48/49/49/357484949.db2.gz SCFHOMZOWLWEDU-MJBXVCDLSA-N 2 0 281.444 1.611 10 0 CDAERP CCC[NH+]1CCC([N@H+](C)C[C@H](OC)[C@H]2CCOC2)CC1 ZINC000659983951 412660354 /nfs/dbraw/zinc/66/03/54/412660354.db2.gz YWKNZVPWSWSIAQ-HOCLYGCPSA-N 2 0 284.444 1.844 10 0 CDAERP CC[NH+](CC)CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000368619703 357916386 /nfs/dbraw/zinc/91/63/86/357916386.db2.gz RPHOOCWZPUSMGO-KFWWJZLASA-N 2 0 253.434 1.791 10 0 CDAERP Cc1ncsc1CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000581482750 358028041 /nfs/dbraw/zinc/02/80/41/358028041.db2.gz ZHTIPZIDBQYIGV-ZYHUDNBSSA-N 2 0 253.415 1.972 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)C1CC1 ZINC000354074648 283332286 /nfs/dbraw/zinc/33/22/86/283332286.db2.gz JAZXUPZKYIHXQK-CQSZACIVSA-N 2 0 267.417 1.413 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000357234928 283332390 /nfs/dbraw/zinc/33/23/90/283332390.db2.gz OVJZOTFOJTUBQM-QLFBSQMISA-N 2 0 281.444 1.802 10 0 CDAERP C[C@@H]([NH3+])CC[NH2+]CCCCCCC[NH2+]CC[C@H](C)[NH3+] ZINC000027651550 358520371 /nfs/dbraw/zinc/52/03/71/358520371.db2.gz GLVGSSCLMMUJJV-GASCZTMLSA-N 4 0 272.481 1.591 10 0 CDAERP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCC2(C[NH3+])CC2)[C@@H]1C ZINC000593318239 358611226 /nfs/dbraw/zinc/61/12/26/358611226.db2.gz BVTCFGDENSRDKB-FRRDWIJNSA-N 2 0 268.401 1.683 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]([NH+](C)C)CC2)CC[NH2+]1 ZINC000564940719 358643453 /nfs/dbraw/zinc/64/34/53/358643453.db2.gz UHLVLVCSBBFVHM-MELADBBJSA-N 2 0 267.417 1.317 10 0 CDAERP CCC[NH2+]CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000418473676 283387797 /nfs/dbraw/zinc/38/77/97/283387797.db2.gz NTFRRVUXDDUEEJ-CABCVRRESA-N 2 0 296.459 1.643 10 0 CDAERP [NH3+]CC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000095077469 358674814 /nfs/dbraw/zinc/67/48/14/358674814.db2.gz YRJJSFWTUDNJPH-UHFFFAOYSA-N 2 0 287.407 1.460 10 0 CDAERP CC[C@H](C(=O)NCCCC[NH+]1CCOCC1)[NH+](CC)CC ZINC000345779804 358884143 /nfs/dbraw/zinc/88/41/43/358884143.db2.gz CFCLZRANZKUSOH-OAHLLOKOSA-N 2 0 299.459 1.335 10 0 CDAERP C[N@H+](CCNC(=O)c1ccccc1CC[NH3+])C1CCCC1 ZINC000070553095 358969272 /nfs/dbraw/zinc/96/92/72/358969272.db2.gz ALFGDTVOVWEFDI-UHFFFAOYSA-N 2 0 289.423 1.792 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[C@](C)(C[NH3+])C1 ZINC000261887537 359079214 /nfs/dbraw/zinc/07/92/14/359079214.db2.gz VFHWNYAIUUIGNQ-MRXNPFEDSA-N 2 0 285.395 1.746 10 0 CDAERP Cc1cnn([C@@H]2CCC[N@H+](C[C@]3(C)CC[NH2+]C3)C2)c1 ZINC000261926653 359092403 /nfs/dbraw/zinc/09/24/03/359092403.db2.gz CHDIKSHKRSYSTJ-HUUCEWRRSA-N 2 0 262.401 1.828 10 0 CDAERP COCC[N@H+](C)CCCN[C@@H](C)c1cn2ccccc2n1 ZINC000559894266 359099042 /nfs/dbraw/zinc/09/90/42/359099042.db2.gz KQQFBUWBSLYBTO-AWEZNQCLSA-N 2 0 290.411 1.953 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC[NH2+]1 ZINC000262332764 359160511 /nfs/dbraw/zinc/16/05/11/359160511.db2.gz FROWKSOLCUWYQP-RVMXOQNASA-N 2 0 253.390 1.008 10 0 CDAERP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCCN2C)cc1F ZINC000225835202 359412093 /nfs/dbraw/zinc/41/20/93/359412093.db2.gz WBWTXXRLAPHRES-LBPRGKRZSA-N 2 0 280.343 1.796 10 0 CDAERP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](C)[C@@H]2C)CC1 ZINC000339571214 359415039 /nfs/dbraw/zinc/41/50/39/359415039.db2.gz DTDHMYRAOMHHEC-CABCVRRESA-N 2 0 253.434 1.743 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCC[NH+]1C ZINC000422019269 359566850 /nfs/dbraw/zinc/56/68/50/359566850.db2.gz KFPJCYBUODGYAQ-KBPBESRZSA-N 2 0 267.417 1.413 10 0 CDAERP CN(CC[NH+]1CCCCC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000336686294 359705069 /nfs/dbraw/zinc/70/50/69/359705069.db2.gz AKNUCTHTKSEEQE-OAHLLOKOSA-N 2 0 251.418 1.641 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCc1nc2c(s1)CCCC2 ZINC000422957743 359716836 /nfs/dbraw/zinc/71/68/36/359716836.db2.gz VJOTZOVSIJKNDV-LBPRGKRZSA-N 2 0 297.468 1.908 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCN1CCCC1(C)C ZINC000423167261 359754914 /nfs/dbraw/zinc/75/49/14/359754914.db2.gz RVIGFGGUYPBTNK-CYBMUJFWSA-N 2 0 257.422 1.204 10 0 CDAERP CC(C)[N@H+](C)CCCN[C@H](C)c1c[nH+]ccc1N ZINC000422964017 359722771 /nfs/dbraw/zinc/72/27/71/359722771.db2.gz KEUOOOGSVSPUOD-GFCCVEGCSA-N 3 0 250.390 1.875 10 0 CDAERP COc1cccc(CC[NH2+][C@H]2CCCCC[C@H]2[NH3+])n1 ZINC000423006358 359736596 /nfs/dbraw/zinc/73/65/96/359736596.db2.gz OIRTZMZCTOLOLP-KGLIPLIRSA-N 2 0 263.385 1.882 10 0 CDAERP C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000423408448 359773033 /nfs/dbraw/zinc/77/30/33/359773033.db2.gz XMRXFIKDYJXOKE-NFAWXSAZSA-N 2 0 275.396 1.991 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C)C12CCC2 ZINC000423392699 359785264 /nfs/dbraw/zinc/78/52/64/359785264.db2.gz LSRBOLSYLFMFQC-ZOBORPQBSA-N 2 0 252.402 1.922 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000637860510 366581885 /nfs/dbraw/zinc/58/18/85/366581885.db2.gz MVYODXAVASLPFC-WFASDCNBSA-N 2 0 275.396 1.807 10 0 CDAERP COc1cccc([C@H](C)[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000261795435 359910413 /nfs/dbraw/zinc/91/04/13/359910413.db2.gz YEGLQGHLDDTGQC-HOCLYGCPSA-N 2 0 289.423 1.736 10 0 CDAERP [NH3+]C1(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CCC1 ZINC000335452168 360199717 /nfs/dbraw/zinc/19/97/17/360199717.db2.gz HHHPHFRGAHBYBD-UHFFFAOYSA-N 2 0 263.316 1.291 10 0 CDAERP [NH3+][C@@H](CCC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000514924711 360401666 /nfs/dbraw/zinc/40/16/66/360401666.db2.gz PHNUTZRPMIUUOK-HOTGVXAUSA-N 2 0 287.407 1.820 10 0 CDAERP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000643500342 360437930 /nfs/dbraw/zinc/43/79/30/360437930.db2.gz GPMQKWLJBYTUJA-BPUTZDHNSA-N 2 0 287.407 1.200 10 0 CDAERP c1csc(CC[NH+]2CCN(CC34CC(C3)C[NH2+]4)CC2)c1 ZINC000634991568 360617947 /nfs/dbraw/zinc/61/79/47/360617947.db2.gz JGSHUKDPCXBMNL-UHFFFAOYSA-N 2 0 291.464 1.660 10 0 CDAERP C[C@H]1CC[C@@H](NC(=O)NCC2([NH+](C)C)CCCCC2)C[NH2+]1 ZINC000626920178 360636377 /nfs/dbraw/zinc/63/63/77/360636377.db2.gz VKVRPLGLAZNFIO-UONOGXRCSA-N 2 0 296.459 1.691 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000626943984 360679982 /nfs/dbraw/zinc/67/99/82/360679982.db2.gz MBRZREFEYWWECL-SOUVJXGZSA-N 2 0 296.459 1.548 10 0 CDAERP C[C@@H](C(=O)NC1CCCC1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000335742323 360883726 /nfs/dbraw/zinc/88/37/26/360883726.db2.gz VOBLXVSJJTXOOT-ZDUSSCGKSA-N 2 0 279.428 1.509 10 0 CDAERP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1cccc(-n2cnnn2)c1 ZINC000643521158 360990604 /nfs/dbraw/zinc/99/06/04/360990604.db2.gz KWMGBDROEUVAFU-TZMCWYRMSA-N 2 0 286.383 1.455 10 0 CDAERP CO[C@@H](C)[C@@H](C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000366212218 361169033 /nfs/dbraw/zinc/16/90/33/361169033.db2.gz VVELFHMWSRVKAS-CVEARBPZSA-N 2 0 297.487 1.950 10 0 CDAERP CCn1nccc1CC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000367252592 366736151 /nfs/dbraw/zinc/73/61/51/366736151.db2.gz NLTVFHHCYSNLPZ-CQSZACIVSA-N 2 0 264.417 1.862 10 0 CDAERP CCC[C@H]([NH3+])C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000262606597 361570019 /nfs/dbraw/zinc/57/00/19/361570019.db2.gz ZVVAZOIHBOHEPL-KGLIPLIRSA-N 2 0 267.417 1.304 10 0 CDAERP C[C@@H]1C[C@@H]1C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000351219106 361623136 /nfs/dbraw/zinc/62/31/36/361623136.db2.gz BGJNDWOUEXVQFQ-BZUAXINKSA-N 2 0 265.445 1.744 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000336616885 363840451 /nfs/dbraw/zinc/84/04/51/363840451.db2.gz VLKGKCKAKDPHIL-GDBMZVCRSA-N 2 0 279.428 1.415 10 0 CDAERP C[C@H](C[NH+]1C[C@@H](C)C[C@H](C)C1)NC(=O)CC[C@H](C)[NH3+] ZINC000248867558 364322510 /nfs/dbraw/zinc/32/25/10/364322510.db2.gz NRWNMLHKBAJRKR-XDQVBPFNSA-N 2 0 269.433 1.596 10 0 CDAERP CC(C)[NH+]1CCC(N(C)C(=O)C2(C[NH3+])CCOCC2)CC1 ZINC000166017683 364335817 /nfs/dbraw/zinc/33/58/17/364335817.db2.gz XITOKZKNLPWXER-UHFFFAOYSA-N 2 0 297.443 1.073 10 0 CDAERP CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000640955550 364780335 /nfs/dbraw/zinc/78/03/35/364780335.db2.gz YZQUWLKPDVFUCY-BFHYXJOUSA-N 2 0 282.432 1.156 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000418099480 364997247 /nfs/dbraw/zinc/99/72/47/364997247.db2.gz NOGSCDNPWMRBLC-SDDRHHMPSA-N 2 0 270.421 1.142 10 0 CDAERP CCC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000353407521 365187686 /nfs/dbraw/zinc/18/76/86/365187686.db2.gz WQCUPNKTZABIQX-GBJTYRQASA-N 2 0 279.428 1.460 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)CC2CC2)CC1 ZINC000114455414 366952494 /nfs/dbraw/zinc/95/24/94/366952494.db2.gz OBSJFUUDHOMIQA-UHFFFAOYSA-N 2 0 267.417 1.317 10 0 CDAERP COc1ccc(C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)cc1OC ZINC000400393477 366953629 /nfs/dbraw/zinc/95/36/29/366953629.db2.gz JKGBKPRCMNMDSH-AAEUAGOBSA-N 2 0 264.369 1.791 10 0 CDAERP CCC[C@H](C)C[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414483303 241224482 /nfs/dbraw/zinc/22/44/82/241224482.db2.gz MTWVPGRVJGQPPB-INIZCTEOSA-N 2 0 297.487 1.809 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000414756904 241368903 /nfs/dbraw/zinc/36/89/03/241368903.db2.gz RPTAHGZOLPLVQO-CAOSSQGBSA-N 2 0 283.460 1.543 10 0 CDAERP C[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)[NH+](C)C1CC1 ZINC000174738620 367072762 /nfs/dbraw/zinc/07/27/62/367072762.db2.gz MESORDHXPMGDNL-NFAWXSAZSA-N 2 0 296.459 1.593 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000627001580 367223417 /nfs/dbraw/zinc/22/34/17/367223417.db2.gz JJZZPFLCYHIYDP-PFSRBDOWSA-N 2 0 296.459 1.547 10 0 CDAERP C[C@H]1C[C@@H](NC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)C[N@@H+]1C1CC1 ZINC000626997300 367217719 /nfs/dbraw/zinc/21/77/19/367217719.db2.gz QAKLXHYDFUGNCF-MROQNXINSA-N 2 0 280.416 1.051 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+]1CC=C(C)CC1 ZINC000358046936 367390947 /nfs/dbraw/zinc/39/09/47/367390947.db2.gz KYBLSPFHLDRUGQ-OAHLLOKOSA-N 2 0 279.428 1.629 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000627093518 367427319 /nfs/dbraw/zinc/42/73/19/367427319.db2.gz MBEJACXDHQTUNM-NWANDNLSSA-N 2 0 290.411 1.516 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000627078634 367375612 /nfs/dbraw/zinc/37/56/12/367375612.db2.gz RYGCRSQJHKLFHY-HZSPNIEDSA-N 2 0 276.384 1.126 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627109385 367457737 /nfs/dbraw/zinc/45/77/37/367457737.db2.gz VVCJYTUBSMUGQK-UONOGXRCSA-N 2 0 284.448 1.404 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)CC[N@@H+]1C ZINC000630084553 367526409 /nfs/dbraw/zinc/52/64/09/367526409.db2.gz WOKZEYMWQUUMAG-RFQIPJPRSA-N 2 0 281.444 1.562 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000627159853 367588711 /nfs/dbraw/zinc/58/87/11/367588711.db2.gz VGPQZABTVGBVLH-RWMBFGLXSA-N 2 0 270.421 1.142 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000627161705 367589661 /nfs/dbraw/zinc/58/96/61/367589661.db2.gz UXAAKMITFNKORA-FIBILERRSA-N 2 0 294.443 1.394 10 0 CDAERP CC[C@@H]([NH3+])CNC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000417203774 242356978 /nfs/dbraw/zinc/35/69/78/242356978.db2.gz ZFOIGVFMNRHGRE-HUUCEWRRSA-N 2 0 292.427 1.196 10 0 CDAERP CN(C(=O)NC[C@@H]1CCC[N@@H+]1C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417285263 242399343 /nfs/dbraw/zinc/39/93/43/242399343.db2.gz LEQVUVSWSWCTEA-WJLOJVBCSA-N 2 0 280.416 1.005 10 0 CDAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627200669 367691971 /nfs/dbraw/zinc/69/19/71/367691971.db2.gz SWARQZXVGCHSCH-YJNKXOJESA-N 2 0 294.443 1.395 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000627201051 367693453 /nfs/dbraw/zinc/69/34/53/367693453.db2.gz VZKRQPZOKNNRNZ-QLFBSQMISA-N 2 0 296.459 1.500 10 0 CDAERP CCCN(CC[NH+](CC)CC)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627204046 367698334 /nfs/dbraw/zinc/69/83/34/367698334.db2.gz ARVVLBYUBZEYDK-HUUCEWRRSA-N 2 0 298.475 1.890 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N2CC[C@H]([NH3+])[C@@H]2C)CC1 ZINC000417396745 242454757 /nfs/dbraw/zinc/45/47/57/242454757.db2.gz WDQUABFIEHUSTE-JSGCOSHPSA-N 2 0 282.432 1.240 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)N[C@@H]2CC[NH2+][C@H]2C)C[C@H]1C ZINC000627240783 367804941 /nfs/dbraw/zinc/80/49/41/367804941.db2.gz XTEWNYKARZVDIS-XJFOESAGSA-N 2 0 282.432 1.251 10 0 CDAERP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627243554 367841526 /nfs/dbraw/zinc/84/15/26/367841526.db2.gz MJTICASJDINICA-DGAVXFQQSA-N 2 0 280.416 1.005 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)NCC1([NH3+])CCCCCC1 ZINC000418281507 242889481 /nfs/dbraw/zinc/88/94/81/242889481.db2.gz DTEYKPUJQONOEG-QWRGUYRKSA-N 2 0 256.394 1.073 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CC[C@H]([NH3+])[C@@H]2C)cc1 ZINC000418466843 243112628 /nfs/dbraw/zinc/11/26/28/243112628.db2.gz RWFUPIVKTVOFHT-SUNKGSAMSA-N 2 0 276.384 1.337 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418579621 243233926 /nfs/dbraw/zinc/23/39/26/243233926.db2.gz RRJNRPZNHZMBJX-AAVRWANBSA-N 2 0 282.432 1.049 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638121894 368513193 /nfs/dbraw/zinc/51/31/93/368513193.db2.gz NKBYULCKHUCBCX-KWCYVHTRSA-N 2 0 263.385 1.119 10 0 CDAERP CC[C@@H]([NH3+])CNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000418720382 243374074 /nfs/dbraw/zinc/37/40/74/243374074.db2.gz JDVPOGBMCAQHSU-CQSZACIVSA-N 2 0 282.432 1.241 10 0 CDAERP C[C@@H](CCC1CCCC1)[NH2+]CCN1CC[NH2+]CC1 ZINC000414880213 368659413 /nfs/dbraw/zinc/65/94/13/368659413.db2.gz JVDDYLBTKBIIND-AWEZNQCLSA-N 2 0 253.434 1.840 10 0 CDAERP C[C@H](CNC(=O)N(C)CCC[NH+](C)C)[N@@H+]1CCCC[C@H]1C ZINC000541785432 368677867 /nfs/dbraw/zinc/67/78/67/368677867.db2.gz QCDUPISEZPQIND-HUUCEWRRSA-N 2 0 298.475 1.842 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000070552116 368745651 /nfs/dbraw/zinc/74/56/51/368745651.db2.gz UDYJIXVMCHWHBW-ZDUSSCGKSA-N 2 0 287.407 1.402 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000361713627 368997577 /nfs/dbraw/zinc/99/75/77/368997577.db2.gz ZIXPZWIFOIAVQK-OWCLPIDISA-N 2 0 293.455 1.804 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000362675042 369110658 /nfs/dbraw/zinc/11/06/58/369110658.db2.gz YOSCHIOXWAAGPJ-QLFBSQMISA-N 2 0 279.428 1.556 10 0 CDAERP O=C([C@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1)N1CCCC1 ZINC000420313594 244069381 /nfs/dbraw/zinc/06/93/81/244069381.db2.gz YDFXCRUJPBFTOC-CVEARBPZSA-N 2 0 293.455 1.711 10 0 CDAERP CCNC(=O)C1(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CCC1 ZINC000367639680 369204394 /nfs/dbraw/zinc/20/43/94/369204394.db2.gz WOVAOUHFFRACMW-KFWWJZLASA-N 2 0 293.455 1.755 10 0 CDAERP [NH3+][C@@H](Cc1cn(CC[NH+]2CCCC2)nn1)Cc1ccccc1 ZINC000630618121 369443070 /nfs/dbraw/zinc/44/30/70/369443070.db2.gz NXJKAYQXMFOKRK-MRXNPFEDSA-N 2 0 299.422 1.486 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000414949567 370967874 /nfs/dbraw/zinc/96/78/74/370967874.db2.gz FANNFSMGAPZTCI-DOMZBBRYSA-N 2 0 271.368 1.355 10 0 CDAERP C[C@@H]1CC[C@@H](NC2CC[NH+](C(C)(C)C)CC2)C[NH2+]1 ZINC000398976754 369549524 /nfs/dbraw/zinc/54/95/24/369549524.db2.gz ZFHADQOZPRAABF-TZMCWYRMSA-N 2 0 253.434 1.979 10 0 CDAERP C[C@H](C(=O)N(C)CCC[NH+](C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000548048167 369734242 /nfs/dbraw/zinc/73/42/42/369734242.db2.gz YJYDFLVKWSXQDG-HZSPNIEDSA-N 2 0 269.433 1.658 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)COC2CCC([NH3+])CC2)CC[N@@H+]1C ZINC000564929667 370301923 /nfs/dbraw/zinc/30/19/23/370301923.db2.gz QDAIPFOVRHNRPQ-FEWQNLEASA-N 2 0 297.443 1.214 10 0 CDAERP C[C@H]([NH3+])[C@H](C)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000389851063 370426926 /nfs/dbraw/zinc/42/69/26/370426926.db2.gz VRARPULICQXOCI-HOSILWTGSA-N 2 0 261.413 1.832 10 0 CDAERP CC1(CNC(=O)NCC2([NH3+])CCCCCC2)CC[NH2+]CC1 ZINC000418283526 370459193 /nfs/dbraw/zinc/45/91/93/370459193.db2.gz KRKJQLWQKOOGKY-UHFFFAOYSA-N 2 0 296.459 1.727 10 0 CDAERP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCC[C@@H]1CC(N)=O ZINC000120654099 370437568 /nfs/dbraw/zinc/43/75/68/370437568.db2.gz YSYQVRNTENADGO-QWHCGFSZSA-N 2 0 253.390 1.201 10 0 CDAERP C[NH2+][C@H](C)C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000390762163 370554504 /nfs/dbraw/zinc/55/45/04/370554504.db2.gz BULOAKJDODJBKZ-CHWSQXEVSA-N 2 0 263.385 1.231 10 0 CDAERP [NH3+][C@@H](C(=O)NCC1([NH3+])CCCCCC1)C1CCC1 ZINC000422542085 245102433 /nfs/dbraw/zinc/10/24/33/245102433.db2.gz PMVGIHWJZXBICK-GFCCVEGCSA-N 2 0 253.390 1.282 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)NC(C)(C)CC[NH3+])CC1 ZINC000422593305 245124662 /nfs/dbraw/zinc/12/46/62/245124662.db2.gz GGIJITUDUGNYEM-UHFFFAOYSA-N 2 0 284.448 1.535 10 0 CDAERP CC[NH+]1CCC(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000643453724 370580604 /nfs/dbraw/zinc/58/06/04/370580604.db2.gz VTPJKKOXGLRHJZ-UKRRQHHQSA-N 3 0 253.434 1.696 10 0 CDAERP CC1([NH2+]CCN2C(=O)c3ccccc3C2=O)CC[NH2+]CC1 ZINC000414935958 370638976 /nfs/dbraw/zinc/63/89/76/370638976.db2.gz GINJOARBZFYIPH-UHFFFAOYSA-N 2 0 287.363 1.014 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@H](C2CC2)[C@@H]2CNCCO2)CC1 ZINC000422732948 245190376 /nfs/dbraw/zinc/19/03/76/245190376.db2.gz ANHWUTDXDQXTBM-DLBZAZTESA-N 2 0 295.471 1.465 10 0 CDAERP C[NH+](C)CCCC[NH2+][C@H](c1cnn[nH]1)c1ccc(F)cc1 ZINC000340463450 371058007 /nfs/dbraw/zinc/05/80/07/371058007.db2.gz MMHHHRQESGHIDS-HNNXBMFYSA-N 2 0 291.374 1.965 10 0 CDAERP CCC[NH+]1CCC(N[C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000422793784 245265351 /nfs/dbraw/zinc/26/53/51/245265351.db2.gz YHJFEDPZZGLZAT-JKSUJKDBSA-N 2 0 281.444 1.217 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422854089 245335682 /nfs/dbraw/zinc/33/56/82/245335682.db2.gz CNPQDCBCFNMBQN-YYIAUSFCSA-N 2 0 295.471 1.608 10 0 CDAERP CC[C@@H]1C[C@H](C[NH2+]CC2(COC)CC[NH2+]CC2)CCO1 ZINC000414976222 371221672 /nfs/dbraw/zinc/22/16/72/371221672.db2.gz PBKDBIKRVZWPDU-HUUCEWRRSA-N 2 0 284.444 1.797 10 0 CDAERP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000569236574 371247256 /nfs/dbraw/zinc/24/72/56/371247256.db2.gz UBRYMEROBHQXRN-APIJFGDWSA-N 2 0 281.444 1.469 10 0 CDAERP FC(F)(F)[C@H](C[NH2+][C@H]1CCCSC1)N1CC[NH2+]CC1 ZINC000414993289 371722064 /nfs/dbraw/zinc/72/20/64/371722064.db2.gz UIQWCESSBSYSBZ-QWRGUYRKSA-N 2 0 297.390 1.308 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000171508275 371745784 /nfs/dbraw/zinc/74/57/84/371745784.db2.gz AREJOVVWZWQHFU-STQMWFEESA-N 2 0 253.390 1.023 10 0 CDAERP O=C(Cc1cn2ccccc2n1)N1CCC[N@@H+](C2CC2)CC1 ZINC000171208237 372152582 /nfs/dbraw/zinc/15/25/82/372152582.db2.gz DTEVZIBBHVHAHB-UHFFFAOYSA-N 2 0 298.390 1.574 10 0 CDAERP c1cc(CNC2CC[NH+](C[C@H]3CCOC3)CC2)sn1 ZINC000638669213 372262049 /nfs/dbraw/zinc/26/20/49/372262049.db2.gz PHRIJAXMIQLORR-GFCCVEGCSA-N 2 0 281.425 1.734 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[NH+](C3CC3)C[C@H]2C)CC[N@@H+]1C ZINC000631770645 372413864 /nfs/dbraw/zinc/41/38/64/372413864.db2.gz JRVGHDMRSVAWSX-UQOMUDLDSA-N 2 0 279.428 1.316 10 0 CDAERP C[C@@H]1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)C[C@H]1C[NH3+] ZINC000578649777 372532532 /nfs/dbraw/zinc/53/25/32/372532532.db2.gz IWENICLOKZDLAB-RBSFLKMASA-N 2 0 281.444 1.694 10 0 CDAERP C[C@H](CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)[N@H+](C)C1CC1 ZINC000174735933 372620174 /nfs/dbraw/zinc/62/01/74/372620174.db2.gz YYBOFCUIJWVDBT-UKRRQHHQSA-N 2 0 292.427 1.125 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)NCc1ccc(C[NH3+])cc1 ZINC000580715480 372670420 /nfs/dbraw/zinc/67/04/20/372670420.db2.gz FVBBDXDBHMCLGV-AWEZNQCLSA-N 2 0 275.396 1.540 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000333358053 205250977 /nfs/dbraw/zinc/25/09/77/205250977.db2.gz KPAYQJNYJZNDEY-QLFBSQMISA-N 2 0 296.459 1.676 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000333444307 205325512 /nfs/dbraw/zinc/32/55/12/205325512.db2.gz WNYIYTLQVDIDED-RRFJBIMHSA-N 2 0 296.459 1.486 10 0 CDAERP C[NH+](C)CCCCC(=O)NC[C@H]1CCC[N@H+](CCF)C1 ZINC001661748150 1172437503 /nfs/dbraw/zinc/43/75/03/1172437503.db2.gz NIMWDBDTEKVXBU-CQSZACIVSA-N 2 0 287.423 1.516 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000581595361 373118253 /nfs/dbraw/zinc/11/82/53/373118253.db2.gz HIEOPZICDDIYSW-CQSZACIVSA-N 3 0 285.395 1.665 10 0 CDAERP C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2CCC[N@H+](C)C2)cc1 ZINC000645684591 373232415 /nfs/dbraw/zinc/23/24/15/373232415.db2.gz AMZKCDRFFMUPBO-FZMZJTMJSA-N 2 0 261.369 1.530 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000341039649 373233591 /nfs/dbraw/zinc/23/35/91/373233591.db2.gz AJRCWZSHSNHSRK-AWEZNQCLSA-N 2 0 298.475 1.748 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)N(C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000341117548 373315749 /nfs/dbraw/zinc/31/57/49/373315749.db2.gz FKYWPPPHICKRSV-HUUCEWRRSA-N 2 0 298.475 1.842 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@H]2CCC[NH2+]CC2)cc1 ZINC000638762334 373526276 /nfs/dbraw/zinc/52/62/76/373526276.db2.gz ZVJCUSGUUBHJAB-DOMZBBRYSA-N 2 0 290.411 1.648 10 0 CDAERP C[C@@H]1OCC[C@@H]1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000631822719 373704304 /nfs/dbraw/zinc/70/43/04/373704304.db2.gz MGDOBSJLXBCHJO-GBJTYRQASA-N 2 0 252.402 1.875 10 0 CDAERP CC[C@@H]1C[N@H+](CC)CCN1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000418570631 374412094 /nfs/dbraw/zinc/41/20/94/374412094.db2.gz IXILLHCQCUUSCV-BFHYXJOUSA-N 2 0 282.432 1.110 10 0 CDAERP CN(C(=O)NCCC[C@H]1CCC[NH2+]1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000418752539 374583439 /nfs/dbraw/zinc/58/34/39/374583439.db2.gz TYNJQNCCUARDSH-HIFRSBDPSA-N 2 0 294.443 1.397 10 0 CDAERP C[C@H]1C[N@H+](C)C[C@H]1NC1CC[NH+](C2CCCC2)CC1 ZINC000334285943 374778841 /nfs/dbraw/zinc/77/88/41/374778841.db2.gz BZYKVCFOGGLFGB-XJKSGUPXSA-N 2 0 265.445 1.933 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCN[C@@H]1CCC[NH2+]CC1 ZINC000128854608 375156437 /nfs/dbraw/zinc/15/64/37/375156437.db2.gz OXLGHPHUOJIEPH-HUUCEWRRSA-N 3 0 253.434 1.983 10 0 CDAERP CC(C)[C@H](CN[C@@H]1CCC[NH2+]CC1)[NH+]1CCCC1 ZINC000128920727 375163105 /nfs/dbraw/zinc/16/31/05/375163105.db2.gz CWERFXPDSRVYDW-CABCVRRESA-N 2 0 253.434 1.839 10 0 CDAERP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H](C)[NH+](C)C ZINC000415928595 375494624 /nfs/dbraw/zinc/49/46/24/375494624.db2.gz GACCGVBGXWAYRH-LBPRGKRZSA-N 2 0 278.400 1.868 10 0 CDAERP CC(C)[C@@H](CNC(=O)NCCC[NH3+])[NH+]1CCC(C)CC1 ZINC000417010478 375716694 /nfs/dbraw/zinc/71/66/94/375716694.db2.gz PDRDMQFOHORFEF-CQSZACIVSA-N 2 0 284.448 1.391 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH+](CC)CC)CC[N@@H+]1C ZINC000631275266 375789621 /nfs/dbraw/zinc/78/96/21/375789621.db2.gz ALVZSMLBHXGNJK-HZSPNIEDSA-N 2 0 269.433 1.563 10 0 CDAERP C[N@H+]1C[C@@H]2C[NH+](CCCCC(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000193652824 375889802 /nfs/dbraw/zinc/88/98/02/375889802.db2.gz IGBPRFMHXPVIEN-OKILXGFUSA-N 2 0 282.428 1.992 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)CC(C)(C)[NH3+])CC1 ZINC000638976195 376322253 /nfs/dbraw/zinc/32/22/53/376322253.db2.gz VMSKNPSPJXCYPK-UHFFFAOYSA-N 2 0 255.406 1.447 10 0 CDAERP C(CC1CC[NH2+]CC1)CN1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631889587 376784043 /nfs/dbraw/zinc/78/40/43/376784043.db2.gz HXXBFOMPNSPQTO-HOTGVXAUSA-N 2 0 265.445 1.840 10 0 CDAERP CC[N@H+](CCNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)C(C)C ZINC000417465725 377335261 /nfs/dbraw/zinc/33/52/61/377335261.db2.gz SRXNEGMEPBZSTI-KGLIPLIRSA-N 2 0 282.432 1.110 10 0 CDAERP CCCCOC[C@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000248659446 377299365 /nfs/dbraw/zinc/29/93/65/377299365.db2.gz VCXSEYMLJGBKJZ-JKSUJKDBSA-N 2 0 284.444 1.582 10 0 CDAERP C[C@H]1C[NH2+]CCN1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000334929313 377695631 /nfs/dbraw/zinc/69/56/31/377695631.db2.gz GZQNMBNAOFZPHI-LBPRGKRZSA-N 2 0 280.416 1.007 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCC(C)(C)[NH3+] ZINC000417533086 377865814 /nfs/dbraw/zinc/86/58/14/377865814.db2.gz MDHDTFOXLMDVET-RYUDHWBXSA-N 2 0 270.421 1.286 10 0 CDAERP CC(C)C[C@@H](C[NH3+])NC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000417541066 377935536 /nfs/dbraw/zinc/93/55/36/377935536.db2.gz XRVAOAUVJOWGLY-ZNMIVQPWSA-N 2 0 298.475 1.922 10 0 CDAERP [NH3+]C[C@@H]1Cc2ccccc2N(C(=O)CC[NH2+]C2CC2)C1 ZINC000632870230 377947256 /nfs/dbraw/zinc/94/72/56/377947256.db2.gz VVXVVCTXEVMKOG-LBPRGKRZSA-N 2 0 273.380 1.293 10 0 CDAERP O[C@H]([C@@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1)C(F)(F)F ZINC000261787866 377904622 /nfs/dbraw/zinc/90/46/22/377904622.db2.gz FZIABGSDKYBINC-IJLUTSLNSA-N 2 0 280.334 1.621 10 0 CDAERP CC(C)[C@H]1CN(C(=O)N[C@H]2CC[NH+](C)[C@H](C)C2)CC[N@@H+]1C ZINC000633093805 378117093 /nfs/dbraw/zinc/11/70/93/378117093.db2.gz UFWNSMGAABOKFN-QLFBSQMISA-N 2 0 296.459 1.451 10 0 CDAERP C[NH+](C)CCC[C@H]1CN(CC[C@@H]2CCCC[N@@H+]2C)CCO1 ZINC000662324119 412893148 /nfs/dbraw/zinc/89/31/48/412893148.db2.gz VCGRDTOHVJFRBO-IRXDYDNUSA-N 2 0 297.487 1.903 10 0 CDAERP CCC[C@H](O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662325217 412897199 /nfs/dbraw/zinc/89/71/99/412897199.db2.gz DBJJTACHLVUIBW-KBPBESRZSA-N 2 0 258.406 1.190 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@H]1CCC[NH+](C)C1 ZINC000634133553 379068894 /nfs/dbraw/zinc/06/88/94/379068894.db2.gz MZQYOEDOHHKZRA-KBPBESRZSA-N 2 0 284.448 1.500 10 0 CDAERP Cc1ccc(O)c(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)n1 ZINC000657573978 412907096 /nfs/dbraw/zinc/90/70/96/412907096.db2.gz RRTBKQYHFLZBRC-AWEZNQCLSA-N 2 0 294.443 1.457 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)NCC2([NH+](C)C)CCC2)CC[N@@H+]1C ZINC000446621882 250304547 /nfs/dbraw/zinc/30/45/47/250304547.db2.gz DCSZKBKTEMMGAX-KGLIPLIRSA-N 2 0 296.459 1.595 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCF)C1 ZINC001662642008 1172573571 /nfs/dbraw/zinc/57/35/71/1172573571.db2.gz YBAIQNFOJMJAIA-ZIAGYGMSSA-N 2 0 285.407 1.268 10 0 CDAERP FC1(F)C[C@H]1OCC[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000662235302 412950067 /nfs/dbraw/zinc/95/00/67/412950067.db2.gz PQRFIMXHQZIDAT-GFCCVEGCSA-N 2 0 260.328 1.627 10 0 CDAERP C[C@@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)[C@H](C)[NH3+] ZINC000417931948 533146399 /nfs/dbraw/zinc/14/63/99/533146399.db2.gz LSDAPIARHAISDV-ZFDZMSFRSA-N 2 0 270.421 1.142 10 0 CDAERP CCN1OC[C@H](N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C1=O ZINC000660256390 413020036 /nfs/dbraw/zinc/02/00/36/413020036.db2.gz LSKKMHCQBGBMJJ-NFAWXSAZSA-N 2 0 295.427 1.391 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000662450474 413030696 /nfs/dbraw/zinc/03/06/96/413030696.db2.gz RPBGYLOXVPEKMK-MJBXVCDLSA-N 2 0 285.432 1.118 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H](Cc2ccccc2)C(N)=O)C1 ZINC000656127349 413040480 /nfs/dbraw/zinc/04/04/80/413040480.db2.gz ZZTRZKIMVIMWHV-QLFBSQMISA-N 2 0 275.396 1.013 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H](Cc2ccc(F)cc2)C(N)=O)C1 ZINC000656127041 413040687 /nfs/dbraw/zinc/04/06/87/413040687.db2.gz JNKUKUVCFUKUKE-VHDGCEQUSA-N 2 0 293.386 1.152 10 0 CDAERP CCC[C@@H](C(=O)N[C@H]1CCC[N@H+](CC)C1)[NH+](C)C ZINC000179592059 260057027 /nfs/dbraw/zinc/05/70/27/260057027.db2.gz UKYFLUTZQMIOLV-STQMWFEESA-N 2 0 255.406 1.317 10 0 CDAERP C[NH+]1CCN(CCC[NH2+][C@H]2CCCSCC2)CC1 ZINC000657823264 413045213 /nfs/dbraw/zinc/04/52/13/413045213.db2.gz CYIJOXALLODKEU-AWEZNQCLSA-N 2 0 271.474 1.499 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000647055972 390381184 /nfs/dbraw/zinc/38/11/84/390381184.db2.gz MPIKRYOWJZDHRF-ZIAGYGMSSA-N 2 0 279.428 1.509 10 0 CDAERP C[NH+](C)CC[C@H](NC(=O)[C@@H]1CC[C@@H]([NH3+])C1)C(C)(C)C ZINC000236986622 390590275 /nfs/dbraw/zinc/59/02/75/390590275.db2.gz JVONLBDXDQLUOS-UPJWGTAASA-N 2 0 269.433 1.596 10 0 CDAERP COc1nccc(C[NH2+]C2CCC(C[NH+](C)C)CC2)n1 ZINC000449198259 390793640 /nfs/dbraw/zinc/79/36/40/390793640.db2.gz AWMIGGBVTJUJIX-UHFFFAOYSA-N 2 0 278.400 1.695 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000261630295 390920872 /nfs/dbraw/zinc/92/08/72/390920872.db2.gz BDSXCFMJUGXCIF-YJNKXOJESA-N 2 0 281.444 1.754 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)CC1 ZINC000417746957 391013276 /nfs/dbraw/zinc/01/32/76/391013276.db2.gz IAPOBVGQSSLDFB-KBPBESRZSA-N 2 0 296.459 1.500 10 0 CDAERP CC(C)C[C@@H]([NH3+])C[NH2+]CC1(N2CCOCC2)CCCCC1 ZINC000415096256 391019546 /nfs/dbraw/zinc/01/95/46/391019546.db2.gz ARVYRLQBQXQUSX-MRXNPFEDSA-N 2 0 297.487 1.985 10 0 CDAERP CC(C)Cn1ccnc1CNC(=O)N(C)C1CC([NH3+])C1 ZINC000417729379 390989556 /nfs/dbraw/zinc/98/95/56/390989556.db2.gz CAVPMYPCKYGDGW-UHFFFAOYSA-N 2 0 279.388 1.170 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCC1CC[NH+](C)CC1 ZINC000105148676 390996837 /nfs/dbraw/zinc/99/68/37/390996837.db2.gz KEYTVKYIITWREI-HNNXBMFYSA-N 2 0 298.475 1.604 10 0 CDAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCC[NH3+] ZINC000418019531 391325873 /nfs/dbraw/zinc/32/58/73/391325873.db2.gz XOPJISXSHZWBJW-ZFWWWQNUSA-N 2 0 290.411 1.155 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000418345525 391350648 /nfs/dbraw/zinc/35/06/48/391350648.db2.gz BPQMYBIPLQEVMH-BNOWGMLFSA-N 2 0 282.432 1.191 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000417325996 391352327 /nfs/dbraw/zinc/35/23/27/391352327.db2.gz JZJWQDKROBAIAT-KBXIAJHMSA-N 2 0 296.459 1.404 10 0 CDAERP CC(C)[N@H+](C)CCN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@@H]21 ZINC000353497573 391393600 /nfs/dbraw/zinc/39/36/00/391393600.db2.gz PMLFJABIFPJKTD-RBSFLKMASA-N 2 0 253.434 1.789 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+][C@@H]1CC[C@H]1SC ZINC000425337756 391463634 /nfs/dbraw/zinc/46/36/34/391463634.db2.gz NUWQSRKXLLHNKA-CHWSQXEVSA-N 2 0 260.447 1.828 10 0 CDAERP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000348113635 391416852 /nfs/dbraw/zinc/41/68/52/391416852.db2.gz RWSQMDYAPOYAMN-RBSFLKMASA-N 2 0 295.471 1.988 10 0 CDAERP CCCC[C@@H](C[NH3+])NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000418446650 391512180 /nfs/dbraw/zinc/51/21/80/391512180.db2.gz OMHONSMKYXSWBO-WCQYABFASA-N 2 0 268.405 1.040 10 0 CDAERP CCCC[C@H](C[NH3+])NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000418441832 391512392 /nfs/dbraw/zinc/51/23/92/391512392.db2.gz IXVOPJXGAGRWAB-MCIONIFRSA-N 2 0 284.448 1.628 10 0 CDAERP C[C@@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)[C@H]1C ZINC000357737398 391527101 /nfs/dbraw/zinc/52/71/01/391527101.db2.gz WFNWLUFFEOZXAI-KGLIPLIRSA-N 2 0 293.455 1.850 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000418720401 391533923 /nfs/dbraw/zinc/53/39/23/391533923.db2.gz JRMJVMGGOUOVLI-OBJOEFQTSA-N 2 0 282.432 1.095 10 0 CDAERP CCN1CCN(C(=O)[C@H](C)[N@@H+]2CC(C)(C)C[C@@H]2C)CC1 ZINC000412046729 391555726 /nfs/dbraw/zinc/55/57/26/391555726.db2.gz RKPHGWUNRRIADV-KBPBESRZSA-N 2 0 281.444 1.659 10 0 CDAERP CC(C)[N@H+](CC[C@@H]1CCC[NH+]1C)C[C@H]1CCC(=O)N1 ZINC000412076026 391580878 /nfs/dbraw/zinc/58/08/78/391580878.db2.gz KPBVZTSKOOOYJY-KGLIPLIRSA-N 2 0 267.417 1.460 10 0 CDAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCCc1ncn(C)n1 ZINC000647800386 391663383 /nfs/dbraw/zinc/66/33/83/391663383.db2.gz AFPLEFRRFROALA-LLVKDONJSA-N 2 0 288.399 1.261 10 0 CDAERP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCc1ncn(C)n1 ZINC000647800962 391664340 /nfs/dbraw/zinc/66/43/40/391664340.db2.gz NBSPCZDRPGYUJO-UKRRQHHQSA-N 2 0 287.411 1.296 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1C(=O)N(CC[NH3+])CCc1ccccc1 ZINC000571626069 391698168 /nfs/dbraw/zinc/69/81/68/391698168.db2.gz QDIXTIIYMOCALL-DZGCQCFKSA-N 2 0 275.396 1.014 10 0 CDAERP CC(C)C[C@H]([NH3+])c1noc(-c2cn(CCCC[NH3+])nn2)n1 ZINC000516289918 391814481 /nfs/dbraw/zinc/81/44/81/391814481.db2.gz HVCKLNKVMPUYMT-JTQLQIEISA-N 2 0 293.375 1.113 10 0 CDAERP CC(C)COC1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000516469733 391821260 /nfs/dbraw/zinc/82/12/60/391821260.db2.gz NUOFSXCLKHIITF-UHFFFAOYSA-N 2 0 269.433 1.029 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)CCC(C)(C)[NH3+] ZINC000649293561 391903568 /nfs/dbraw/zinc/90/35/68/391903568.db2.gz XXZXBURAZCDDQV-GFCCVEGCSA-N 2 0 255.406 1.495 10 0 CDAERP CC1=C[C@@H](C)C[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000430274047 391910902 /nfs/dbraw/zinc/91/09/02/391910902.db2.gz GNILNKXATXEBNQ-CQSZACIVSA-N 2 0 293.455 1.873 10 0 CDAERP CC(C)[C@@H](C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)[NH+](C)C ZINC000341400035 391959543 /nfs/dbraw/zinc/95/95/43/391959543.db2.gz AHYKLHZSUQYEFC-ZNMIVQPWSA-N 2 0 283.460 1.952 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000334929230 391980190 /nfs/dbraw/zinc/98/01/90/391980190.db2.gz GQCXUIJMEMPBBI-QWHCGFSZSA-N 2 0 267.417 1.352 10 0 CDAERP CC(C)[NH+](CCCNC(=O)C[C@H]1CC[NH2+]C1)C(C)C ZINC000646137170 392070182 /nfs/dbraw/zinc/07/01/82/392070182.db2.gz UYNYWDBDWPKLGH-CQSZACIVSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000649354212 392090628 /nfs/dbraw/zinc/09/06/28/392090628.db2.gz QEZATFRWUOKSEE-FZKCQIBNSA-N 2 0 293.455 1.850 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C1(C[NH3+])CCOCC1 ZINC000262375408 392041529 /nfs/dbraw/zinc/04/15/29/392041529.db2.gz WMXKEVQSTVDLHT-OKILXGFUSA-N 2 0 297.443 1.121 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCn2cc(C)cn2)C[C@H]1C ZINC000336807750 392094656 /nfs/dbraw/zinc/09/46/56/392094656.db2.gz MWHZCLPCTBPQQN-HUUCEWRRSA-N 2 0 264.417 1.996 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CN[C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423109027 392351887 /nfs/dbraw/zinc/35/18/87/392351887.db2.gz NDCIHFCALCNZCJ-HRCADAONSA-N 2 0 281.444 1.217 10 0 CDAERP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@H]1CCC[NH2+]1 ZINC000237975165 131070240 /nfs/dbraw/zinc/07/02/40/131070240.db2.gz LMNNKAZWDWCYSX-KGLIPLIRSA-N 2 0 291.395 1.675 10 0 CDAERP CN(C(=O)c1ccc(C[NH3+])o1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000646430779 392440275 /nfs/dbraw/zinc/44/02/75/392440275.db2.gz INSBKMWGDRHNDH-LLVKDONJSA-N 2 0 263.341 1.047 10 0 CDAERP C[C@@H]1C[C@@H](Nc2ccc(N3CC[NH2+]CC3)cn2)CC[N@@H+]1C ZINC000423230744 392459286 /nfs/dbraw/zinc/45/92/86/392459286.db2.gz JWBDGEXOQKZZBX-KGLIPLIRSA-N 2 0 289.427 1.386 10 0 CDAERP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)C1CC(F)(F)C1 ZINC000529550932 392480372 /nfs/dbraw/zinc/48/03/72/392480372.db2.gz QVNSYCDOLFHVQW-SNVBAGLBSA-N 2 0 262.344 1.467 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CCCC[NH+]2CCOCC2)[C@H](C)O1 ZINC000449081053 392633354 /nfs/dbraw/zinc/63/33/54/392633354.db2.gz BJCKLTIPJBQIHI-RDBSUJKOSA-N 2 0 256.390 1.254 10 0 CDAERP CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000459661142 393288684 /nfs/dbraw/zinc/28/86/84/393288684.db2.gz QHRXJTREWMNWMX-LLVKDONJSA-N 2 0 281.381 1.247 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]CCC(=O)Nc2cccnc2)C1 ZINC000656152972 413060591 /nfs/dbraw/zinc/06/05/91/413060591.db2.gz DKJYTRWNJAEFBV-XBXGTLAGSA-N 2 0 276.384 1.340 10 0 CDAERP C[C@@H](C[NH2+]C1CC(CF)(CF)C1)CN1CC[NH+](C)CC1 ZINC000657868975 413063577 /nfs/dbraw/zinc/06/35/77/413063577.db2.gz FDFSEASDQJBMEE-ZDUSSCGKSA-N 2 0 289.414 1.547 10 0 CDAERP C[C@@H](C[NH2+][C@H]1CCCSCC1)N1CC[NH+](C)CC1 ZINC000657873778 413065996 /nfs/dbraw/zinc/06/59/96/413065996.db2.gz VELLDXBZMQUADC-KBPBESRZSA-N 2 0 271.474 1.498 10 0 CDAERP O=C(NCC[NH2+]C1CCCCCC1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188186356 140090019 /nfs/dbraw/zinc/09/00/19/140090019.db2.gz DBJZEGKOQGJGNU-WCQYABFASA-N 2 0 271.380 1.115 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CCC[NH+](CC)C1 ZINC000245477652 140269918 /nfs/dbraw/zinc/26/99/18/140269918.db2.gz UQOBLKUJCDVEDZ-HUUCEWRRSA-N 2 0 296.459 1.596 10 0 CDAERP C[C@H](CC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)C1CC[NH2+]CC1 ZINC000248621257 140292841 /nfs/dbraw/zinc/29/28/41/140292841.db2.gz MYSPIJLXJFFECM-UNQGMJICSA-N 2 0 279.428 1.208 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000249931944 140301386 /nfs/dbraw/zinc/30/13/86/140301386.db2.gz DYDBTXDKXVNPOA-JJXSEGSLSA-N 2 0 293.455 1.850 10 0 CDAERP C[C@]1(CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CC[NH2+]C1 ZINC000261761806 140385207 /nfs/dbraw/zinc/38/52/07/140385207.db2.gz LONDEKKOSQTFLI-IKGGRYGDSA-N 2 0 273.424 1.660 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656200657 413096700 /nfs/dbraw/zinc/09/67/00/413096700.db2.gz TWJPCJBJGNIYPH-RGGMIXCSSA-N 2 0 295.471 1.462 10 0 CDAERP O=C(C[C@H]1[NH2+]Cc2ccccc21)NCCC[NH+]1CCCC1 ZINC000662524313 413095256 /nfs/dbraw/zinc/09/52/56/413095256.db2.gz KXVLQOVBXHTUNU-MRXNPFEDSA-N 2 0 287.407 1.823 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCOc2c(OC)cccc21 ZINC000656201631 413102553 /nfs/dbraw/zinc/10/25/53/413102553.db2.gz SOEFBKFFERIXKN-GXTWGEPZSA-N 2 0 294.395 1.862 10 0 CDAERP CC[C@H]([NH2+]C)C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000662577882 413145693 /nfs/dbraw/zinc/14/56/93/413145693.db2.gz FTUYJTAELXNBFQ-ILXRZTDVSA-N 2 0 293.386 1.467 10 0 CDAERP CCC(C)(C)[NH+]1CCN(C(=O)[C@@H]([NH3+])COC(C)C)CC1 ZINC000662585197 413153066 /nfs/dbraw/zinc/15/30/66/413153066.db2.gz SKMSERXJJQASBP-ZDUSSCGKSA-N 2 0 285.432 1.072 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000662594469 413165057 /nfs/dbraw/zinc/16/50/57/413165057.db2.gz UBVJSFRBDKPKMV-CQSZACIVSA-N 2 0 289.423 1.996 10 0 CDAERP CC(C)[NH2+]CCC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662594271 413166131 /nfs/dbraw/zinc/16/61/31/413166131.db2.gz PRLIGPSNDNXZNZ-HNNXBMFYSA-N 2 0 281.444 1.613 10 0 CDAERP Cn1cncc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000388356919 397796930 /nfs/dbraw/zinc/79/69/30/397796930.db2.gz AVIYQGPLLLFBBE-QLFBSQMISA-N 2 0 262.401 1.821 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@@H](C)C[NH+](C)C ZINC000651098803 397820583 /nfs/dbraw/zinc/82/05/83/397820583.db2.gz GYLVOMPJCVANHR-ZDUSSCGKSA-N 2 0 272.437 1.214 10 0 CDAERP CN1CCC[C@H]1C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000181579903 397938510 /nfs/dbraw/zinc/93/85/10/397938510.db2.gz BFFLZQMSFKKCEE-FQUUOJAGSA-N 2 0 252.402 1.874 10 0 CDAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC1(C)CCC1 ZINC000530993968 397948000 /nfs/dbraw/zinc/94/80/00/397948000.db2.gz SGHLHXKYWDDLTH-UHFFFAOYSA-N 2 0 284.448 1.311 10 0 CDAERP CC(C)C[N@H+](C)CCCNc1cc(NC[C@H](C)O)ncn1 ZINC000651364312 397953385 /nfs/dbraw/zinc/95/33/85/397953385.db2.gz ZWMIOGGILFNLJP-ZDUSSCGKSA-N 2 0 295.431 1.081 10 0 CDAERP C[C@@]1(CN2CCC[N@@H+](C3CCCC3)CC2)CC[NH2+]C1 ZINC000261699412 289163558 /nfs/dbraw/zinc/16/35/58/289163558.db2.gz CFHJQJLEZHDONP-MRXNPFEDSA-N 2 0 265.445 1.936 10 0 CDAERP CN(CC[NH2+]Cc1ccsc1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001663855642 1172777940 /nfs/dbraw/zinc/77/79/40/1172777940.db2.gz GNCGDNKMNXOLLQ-CYBMUJFWSA-N 2 0 281.425 1.390 10 0 CDAERP C[C@H]([NH2+][C@H]1C[C@H](C)n2ncnc21)C1CC[NH+](C)CC1 ZINC000658097509 413193812 /nfs/dbraw/zinc/19/38/12/413193812.db2.gz IMJPZLHKDYSZCW-GVXVVHGQSA-N 2 0 263.389 1.604 10 0 CDAERP COC[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)C1CCOCC1 ZINC000658098137 413195387 /nfs/dbraw/zinc/19/53/87/413195387.db2.gz XWVIMGNCLJDYGJ-BBRMVZONSA-N 2 0 284.444 1.748 10 0 CDAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(C[NH3+])o1 ZINC000094573409 147092456 /nfs/dbraw/zinc/09/24/56/147092456.db2.gz UHIBGTDAZJHJBO-WDEREUQCSA-N 2 0 263.341 1.047 10 0 CDAERP O[C@@H](C[NH2+]C[C@@H]1CC=CCC1)C[NH+]1CCCCC1 ZINC000120035297 147329953 /nfs/dbraw/zinc/32/99/53/147329953.db2.gz DGYUWVADHIMFLU-CABCVRRESA-N 2 0 252.402 1.779 10 0 CDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC2=CCCOC2)CC1 ZINC000121143284 147361999 /nfs/dbraw/zinc/36/19/99/147361999.db2.gz HWCYIINVMZYNPB-AWEZNQCLSA-N 2 0 282.428 1.358 10 0 CDAERP CO[C@H](C)[C@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000658108748 413211572 /nfs/dbraw/zinc/21/15/72/413211572.db2.gz ROJMQXURBQLNSD-MELADBBJSA-N 2 0 259.438 1.271 10 0 CDAERP C[C@H]1C[C@@H](N(C)C(=O)CC2CC[NH2+]CC2)CC[N@@H+]1C ZINC000178815683 148089509 /nfs/dbraw/zinc/08/95/09/148089509.db2.gz ROXSNXFOKALNFV-JSGCOSHPSA-N 2 0 267.417 1.317 10 0 CDAERP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000262136968 149025780 /nfs/dbraw/zinc/02/57/80/149025780.db2.gz OWVDOGHUHLRYKZ-RDJZCZTQSA-N 2 0 283.375 1.419 10 0 CDAERP [NH3+]C[C@H](NC(=O)[C@H]1CCC[C@H]([NH3+])C1)C1CCCCC1 ZINC000262614030 149083204 /nfs/dbraw/zinc/08/32/04/149083204.db2.gz ZRKQIJJLOIYDQM-IHRRRGAJSA-N 2 0 267.417 1.528 10 0 CDAERP CN(CC[NH2+]CC1CCCC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001664309534 1172838989 /nfs/dbraw/zinc/83/89/89/1172838989.db2.gz UHXZHADWCFKPQE-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP Fc1ccc(N2CC[C@H]([NH2+]C3CC[NH2+]CC3)C2)cc1 ZINC000335172302 150366878 /nfs/dbraw/zinc/36/68/78/150366878.db2.gz JJMFQDGJSNXCEH-AWEZNQCLSA-N 2 0 263.360 1.746 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCCCCC[NH+]1CCCC1 ZINC000418209952 297108997 /nfs/dbraw/zinc/10/89/97/297108997.db2.gz CIMDOPKKCRVSHU-HUUCEWRRSA-N 2 0 296.459 1.550 10 0 CDAERP c1c(CN2C[C@H]3C[NH2+]C[C@H]3C2)[nH]nc1-c1ccccc1 ZINC000336081133 151252425 /nfs/dbraw/zinc/25/24/25/151252425.db2.gz BQGBQGXKGUWKGC-OKILXGFUSA-N 2 0 268.364 1.728 10 0 CDAERP COCC1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CCOCC1 ZINC000425935178 292247568 /nfs/dbraw/zinc/24/75/68/292247568.db2.gz CKATWTPPBSPCNX-ARFHVFGLSA-N 2 0 296.455 1.892 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000261649518 289307646 /nfs/dbraw/zinc/30/76/46/289307646.db2.gz DILNNSILAFMJGG-XJFOESAGSA-N 2 0 267.417 1.350 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]CCO[C@H]2CC2(F)F)[C@H](C)C1 ZINC000658167150 413258802 /nfs/dbraw/zinc/25/88/02/413258802.db2.gz DMZSWOCQYNNNJV-WOPDTQHZSA-N 2 0 262.344 1.731 10 0 CDAERP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@H](O)C(C)(C)C)C1 ZINC000343753558 152291079 /nfs/dbraw/zinc/29/10/79/152291079.db2.gz IBYSPSQZMQGTAY-GJZGRUSLSA-N 2 0 286.460 1.826 10 0 CDAERP CC[C@H](C(=O)NCCCC[NH+](C)C)[NH+](CC)CC ZINC000346104107 153054434 /nfs/dbraw/zinc/05/44/34/153054434.db2.gz HMVXTZNFYMYMOY-CYBMUJFWSA-N 2 0 257.422 1.565 10 0 CDAERP C[C@@]1(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CCCC[NH2+]1 ZINC000336513062 297859423 /nfs/dbraw/zinc/85/94/23/297859423.db2.gz CWMHAZWJLQONMI-GJZGRUSLSA-N 2 0 265.401 1.121 10 0 CDAERP CC(C)C[C@H]([NH2+][C@H](C)[C@@H]1CCCO1)C(=O)NCC[NH+](C)C ZINC000346841937 153321759 /nfs/dbraw/zinc/32/17/59/153321759.db2.gz WNRUTSHCWUDJFD-ILXRZTDVSA-N 2 0 299.459 1.236 10 0 CDAERP [NH3+]Cc1ccc(-n2cc(C[C@@H]3CCC[NH2+]C3)nn2)cc1 ZINC000656459738 413290566 /nfs/dbraw/zinc/29/05/66/413290566.db2.gz FOXMRPRHIUTPBN-ZDUSSCGKSA-N 2 0 271.368 1.268 10 0 CDAERP C[C@H](CNC(=O)CC1([NH3+])CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000662679467 413299660 /nfs/dbraw/zinc/29/96/60/413299660.db2.gz OOKNRZJDPGLGQF-NWDGAFQWSA-N 2 0 253.390 1.104 10 0 CDAERP C[NH+](C)CC1CCN(C(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000662681984 413301450 /nfs/dbraw/zinc/30/14/50/413301450.db2.gz CDMLSVKUDFEHFU-UHFFFAOYSA-N 2 0 279.428 1.461 10 0 CDAERP Cn1c2ccc(C[NH2+]CCCC[NH+](C)C)cc2oc1=O ZINC000352273015 155069181 /nfs/dbraw/zinc/06/91/81/155069181.db2.gz KLOBIFBGGCFOGQ-UHFFFAOYSA-N 2 0 277.368 1.563 10 0 CDAERP O=C(C[C@@H]1CC[NH2+]C1)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000662686260 413311821 /nfs/dbraw/zinc/31/18/21/413311821.db2.gz LHFZZPOGGDOIOO-SWLSCSKDSA-N 2 0 289.379 1.286 10 0 CDAERP CC[C@@H]([NH3+])C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000662687548 413316234 /nfs/dbraw/zinc/31/62/34/413316234.db2.gz ZZLJJKPHQMMBOH-CHWSQXEVSA-N 2 0 263.341 1.023 10 0 CDAERP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@@H]2CCC(=O)N2)CC1 ZINC000658259708 413320549 /nfs/dbraw/zinc/32/05/49/413320549.db2.gz NSVZFOBDXPYEHZ-VNQPRFMTSA-N 2 0 293.455 1.898 10 0 CDAERP CC[C@H](C[NH+]1CCCC1)NC(=O)N(CC)[C@@H]1CC[N@H+](C)C1 ZINC000664406598 413354305 /nfs/dbraw/zinc/35/43/05/413354305.db2.gz AWCJZFJBJAZQMT-HUUCEWRRSA-N 2 0 296.459 1.596 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662713781 413366746 /nfs/dbraw/zinc/36/67/46/413366746.db2.gz YTETYMQZUGUORR-SNVBAGLBSA-N 2 0 282.388 1.329 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)CC1([NH3+])CC1 ZINC000662712644 413365211 /nfs/dbraw/zinc/36/52/11/413365211.db2.gz VFOBTJBEHGBKON-VXGBXAGGSA-N 2 0 253.390 1.247 10 0 CDAERP COc1cccc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC000361917932 159017420 /nfs/dbraw/zinc/01/74/20/159017420.db2.gz BVHVXZOSAQZJAJ-GZBFAFLISA-N 2 0 277.412 1.951 10 0 CDAERP Cc1ccc(NC(=O)CC2([NH3+])CC2)c(C[NH+](C)C)c1 ZINC000662736998 413406573 /nfs/dbraw/zinc/40/65/73/413406573.db2.gz VWGFZVHRVUNARL-UHFFFAOYSA-N 2 0 261.369 1.877 10 0 CDAERP CC(C)C[C@H]([NH3+])c1noc(-c2c[nH]nc2[C@@H]2CC[NH2+]C2)n1 ZINC000656560424 413436599 /nfs/dbraw/zinc/43/65/99/413436599.db2.gz XMIQAZHBOJFXMQ-KOLCDFICSA-N 2 0 290.371 1.583 10 0 CDAERP CN(CC1C[NH+](C)C1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000660762326 413454135 /nfs/dbraw/zinc/45/41/35/413454135.db2.gz LAXWVURNABNGHX-GOOCMWNKSA-N 2 0 294.443 1.205 10 0 CDAERP C[C@@H]([NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000423092426 287070753 /nfs/dbraw/zinc/07/07/53/287070753.db2.gz BVIQRGMXQUARKJ-WCVJEAGWSA-N 2 0 293.455 1.898 10 0 CDAERP C[C@H](C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O)c1cccc(Cl)c1 ZINC000263218827 165052967 /nfs/dbraw/zinc/05/29/67/165052967.db2.gz LMLZMUSNHMREBI-OSMZGAPFSA-N 2 0 268.788 1.613 10 0 CDAERP C[NH+](C)CCC[C@H]1C[N@H+](C[C@H](O)CC2CCCC2)CCO1 ZINC000662321324 411689650 /nfs/dbraw/zinc/68/96/50/411689650.db2.gz BKHCROFYHRVXSX-SJORKVTESA-N 2 0 298.471 1.970 10 0 CDAERP CCC[NH+]1CCN([C@@H](C[NH3+])c2cccs2)CC1 ZINC000020179369 171044024 /nfs/dbraw/zinc/04/40/24/171044024.db2.gz FJSCLQRVMDRHCJ-LBPRGKRZSA-N 2 0 253.415 1.776 10 0 CDAERP COc1ccc([C@@H](C[NH3+])N2CC[NH+](CC(C)C)CC2)cc1 ZINC000020179598 171044478 /nfs/dbraw/zinc/04/44/78/171044478.db2.gz PFXVGOJUANPZRC-QGZVFWFLSA-N 2 0 291.439 1.969 10 0 CDAERP COc1ccc([C@@H](C[NH3+])N2CC[NH+](CC3CC3)CC2)cc1 ZINC000020179602 171044506 /nfs/dbraw/zinc/04/45/06/171044506.db2.gz ALNGCMMHSYYDJJ-QGZVFWFLSA-N 2 0 289.423 1.723 10 0 CDAERP C[NH+](C)[C@@H](CC[NH3+])COc1ccc2c(c1)OCO2 ZINC000020401617 171182328 /nfs/dbraw/zinc/18/23/28/171182328.db2.gz UZTUUXMIHYESJZ-JTQLQIEISA-N 2 0 252.314 1.073 10 0 CDAERP CCC[NH+]1CCN([C@H](C[NH3+])Cc2ccccc2)CC1 ZINC000022222150 171378972 /nfs/dbraw/zinc/37/89/72/171378972.db2.gz DFQNATIVPAVUCX-INIZCTEOSA-N 2 0 261.413 1.584 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)C1(C[NH3+])CCCC1 ZINC000653176601 412117528 /nfs/dbraw/zinc/11/75/28/412117528.db2.gz ZIBHCOBTCIRRRM-UHFFFAOYSA-N 2 0 269.433 1.600 10 0 CDAERP [NH3+]CC1(CCNC(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000653222821 412148382 /nfs/dbraw/zinc/14/83/82/412148382.db2.gz PZPWEXNAZKFVAZ-CQSZACIVSA-N 2 0 273.380 1.119 10 0 CDAERP C[C@H]([NH3+])CCC(=O)NCc1ccc(C[NH3+])cc1F ZINC000653223378 412150001 /nfs/dbraw/zinc/15/00/01/412150001.db2.gz LMWFTISPRAQPSY-VIFPVBQESA-N 2 0 253.321 1.028 10 0 CDAERP C[C@H]([NH3+])c1ccc(C(=O)NCCC2(C[NH3+])CC2)cc1 ZINC000653222457 412151107 /nfs/dbraw/zinc/15/11/07/412151107.db2.gz BTSFSYWPADKDOM-NSHDSACASA-N 2 0 261.369 1.565 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+](C)C2CCCCC2)C1 ZINC000654613607 413505145 /nfs/dbraw/zinc/50/51/45/413505145.db2.gz MWDRCYSQHXNWNM-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP [NH3+]C1(C(=O)NCC2CC[NH+](C3CC3)CC2)CC2(CCC2)C1 ZINC000662811022 413531622 /nfs/dbraw/zinc/53/16/22/413531622.db2.gz UOJOVCPKBDQEHQ-UHFFFAOYSA-N 2 0 291.439 1.639 10 0 CDAERP CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000654660122 413548354 /nfs/dbraw/zinc/54/83/54/413548354.db2.gz RKKXGASCKXJLKZ-KFWWJZLASA-N 2 0 296.459 1.310 10 0 CDAERP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654661046 413551143 /nfs/dbraw/zinc/55/11/43/413551143.db2.gz NCPBFWPFMCQODH-XQLPTFJDSA-N 2 0 296.459 1.308 10 0 CDAERP O=C(N[C@@H]1CC[NH2+]C12CCCC2)c1cccc2c1C[NH2+]C2 ZINC000662824375 413555687 /nfs/dbraw/zinc/55/56/87/413555687.db2.gz LAOPKQFDVLORFL-OAHLLOKOSA-N 2 0 285.391 1.694 10 0 CDAERP CN(Cc1cccs1)C1(C[NH3+])CC[NH+](C)CC1 ZINC000035717196 172371528 /nfs/dbraw/zinc/37/15/28/172371528.db2.gz ADPVIBXXUSWKSG-UHFFFAOYSA-N 2 0 253.415 1.603 10 0 CDAERP Cc1cc(C)cc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC000656707684 413582830 /nfs/dbraw/zinc/58/28/30/413582830.db2.gz VSKVLSWORQHLQF-KRWDZBQOSA-N 2 0 291.439 1.001 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)NCCCCC[NH+]1CCCCC1 ZINC000659281629 413675149 /nfs/dbraw/zinc/67/51/49/413675149.db2.gz SYBYUKOELHLRKV-HNNXBMFYSA-N 2 0 299.459 1.511 10 0 CDAERP [NH3+]CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000662920198 413703254 /nfs/dbraw/zinc/70/32/54/413703254.db2.gz RSOVHDQQBURCSI-OAHLLOKOSA-N 2 0 287.407 1.364 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000662925147 413707093 /nfs/dbraw/zinc/70/70/93/413707093.db2.gz NMQZNUAQVGVACW-SYQHCUMBSA-N 2 0 267.417 1.397 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)NC[C@H](C)[NH+](C)C ZINC000665043221 413809248 /nfs/dbraw/zinc/80/92/48/413809248.db2.gz FQSZJWRQMATFFL-LBPRGKRZSA-N 2 0 272.437 1.356 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](Cn2ccnn2)C1 ZINC000661145316 413831573 /nfs/dbraw/zinc/83/15/73/413831573.db2.gz KKKQSYURXMBPER-UONOGXRCSA-N 2 0 263.389 1.084 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000659459635 413846862 /nfs/dbraw/zinc/84/68/62/413846862.db2.gz ZWZAJHBGEKKKSJ-UONOGXRCSA-N 2 0 282.432 1.143 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000659462385 413849758 /nfs/dbraw/zinc/84/97/58/413849758.db2.gz XDFBDEFCWZJBLO-JALIKCBVSA-N 2 0 296.459 1.674 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1)C[NH+]1CCCC1 ZINC000407371377 413946432 /nfs/dbraw/zinc/94/64/32/413946432.db2.gz MHVLZLKWBWQXTE-VHDGCEQUSA-N 2 0 279.428 1.365 10 0 CDAERP [NH3+]C/C=C\CNC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659543472 413947279 /nfs/dbraw/zinc/94/72/79/413947279.db2.gz IPGDWUSCWAWGSF-DSYXLKISSA-N 2 0 280.416 1.208 10 0 CDAERP CC[NH+](CC)CCC[NH2+][C@H](CO)[C@H]1CCC[C@H](OC)C1 ZINC000661213787 413891479 /nfs/dbraw/zinc/89/14/79/413891479.db2.gz DFFOWRAXURSFJA-HRCADAONSA-N 2 0 286.460 1.874 10 0 CDAERP CNC(=O)CC1(C[NH2+][C@H](CCC[NH3+])COC)CCCCC1 ZINC000665275646 414009214 /nfs/dbraw/zinc/00/92/14/414009214.db2.gz OCJPUDXWUPFVES-CQSZACIVSA-N 2 0 299.459 1.417 10 0 CDAERP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000665280411 414018179 /nfs/dbraw/zinc/01/81/79/414018179.db2.gz AHIYCSFVIVWEFE-SMDDNHRTSA-N 2 0 299.440 1.358 10 0 CDAERP COC[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)C1CCOCC1 ZINC000665236108 413962120 /nfs/dbraw/zinc/96/21/20/413962120.db2.gz HMGOOTBTXNOILN-RDBSUJKOSA-N 2 0 256.390 1.288 10 0 CDAERP COC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C1CCOCC1 ZINC000665236867 413969896 /nfs/dbraw/zinc/96/98/96/413969896.db2.gz VQGMCZNIGDFCKF-JJXSEGSLSA-N 2 0 282.428 1.406 10 0 CDAERP COCc1csc(C[NH2+][C@H](CCC[NH3+])COC)c1 ZINC000665263199 413988924 /nfs/dbraw/zinc/98/89/24/413988924.db2.gz IDOMRYZPKHNGDQ-GFCCVEGCSA-N 2 0 272.414 1.738 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1c(C2CC2)cnn1C ZINC000665264701 413993865 /nfs/dbraw/zinc/99/38/65/413993865.db2.gz GLCSEOCAHJPQBN-LBPRGKRZSA-N 2 0 266.389 1.141 10 0 CDAERP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000665272766 414003644 /nfs/dbraw/zinc/00/36/44/414003644.db2.gz KXABZEPXYWGLIC-FZKCQIBNSA-N 2 0 276.428 1.991 10 0 CDAERP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)C(C)(C)n1cncn1 ZINC000665282349 414020722 /nfs/dbraw/zinc/02/07/22/414020722.db2.gz WFDUOVBYABWYPF-NWDGAFQWSA-N 2 0 253.394 1.365 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)CCCCO)CC1 ZINC000665287736 414023541 /nfs/dbraw/zinc/02/35/41/414023541.db2.gz STHAFDDXFDDTIK-AWEZNQCLSA-N 2 0 299.459 1.118 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000659619615 414028623 /nfs/dbraw/zinc/02/86/23/414028623.db2.gz PWPQYSRWVLZTLS-UKRRQHHQSA-N 2 0 282.432 1.145 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000659621709 414031701 /nfs/dbraw/zinc/03/17/01/414031701.db2.gz AQQRYDUBJVJXSZ-ZIAGYGMSSA-N 2 0 284.448 1.341 10 0 CDAERP C[C@H](NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1nccn1C ZINC000659626364 414039942 /nfs/dbraw/zinc/03/99/42/414039942.db2.gz BBKDNGACELGFHG-SDDRHHMPSA-N 2 0 277.372 1.017 10 0 CDAERP COc1ccc(CC[C@@](C)(C[NH3+])N2CC[NH+](C)CC2)cc1 ZINC000037497412 173236745 /nfs/dbraw/zinc/23/67/45/173236745.db2.gz UWPJUXMVVWFESN-KRWDZBQOSA-N 2 0 291.439 1.593 10 0 CDAERP CC(C)n1nccc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655825081 414230287 /nfs/dbraw/zinc/23/02/87/414230287.db2.gz WCBHUEKCEDAEJV-XBXGTLAGSA-N 2 0 250.390 1.894 10 0 CDAERP C[NH+](C)CCOc1ccc(CNC2CC([NH+](C)C)C2)cc1 ZINC000655792366 414178327 /nfs/dbraw/zinc/17/83/27/414178327.db2.gz FPQAEXIGDHQUGQ-UHFFFAOYSA-N 2 0 291.439 1.809 10 0 CDAERP CC[C@H](O)CCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657374079 414238413 /nfs/dbraw/zinc/23/84/13/414238413.db2.gz DPBAIPKKDRFSPY-HNNXBMFYSA-N 2 0 274.368 1.908 10 0 CDAERP CO[C@](C)(CO)C[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000655807630 414203181 /nfs/dbraw/zinc/20/31/81/414203181.db2.gz LZPXVEHELZLFIN-HNNXBMFYSA-N 2 0 290.367 1.063 10 0 CDAERP Cc1noc(CCC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)n1 ZINC000657351635 414217241 /nfs/dbraw/zinc/21/72/41/414217241.db2.gz RNYJWMWYTORBSX-UHFFFAOYSA-N 2 0 298.350 1.681 10 0 CDAERP Nc1nc(N[C@H]2CC[N@@H+](C3CC3)C2)c2c([nH+]1)CCCC2 ZINC000663448390 414259414 /nfs/dbraw/zinc/25/94/14/414259414.db2.gz RJFRZWSRPIESQS-JTQLQIEISA-N 2 0 273.384 1.586 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)NC1CC[NH+](CC)CC1 ZINC000663454068 414261883 /nfs/dbraw/zinc/26/18/83/414261883.db2.gz CRGHVJCURATJCV-UHFFFAOYSA-N 2 0 298.475 1.890 10 0 CDAERP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1cnn2c1CCC2 ZINC000657393320 414269121 /nfs/dbraw/zinc/26/91/21/414269121.db2.gz AJHUVMJAQUVWRE-RISCZKNCSA-N 2 0 260.385 1.402 10 0 CDAERP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cc2n(n1)CCC2 ZINC000657389620 414271972 /nfs/dbraw/zinc/27/19/72/414271972.db2.gz NDWNOLHGJQFDRX-HNNXBMFYSA-N 2 0 280.416 1.276 10 0 CDAERP CC(C)[C@H]([NH3+])CC[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000663502344 414300272 /nfs/dbraw/zinc/30/02/72/414300272.db2.gz HAHFWHPYRHQKNY-CQSZACIVSA-N 2 0 289.379 1.246 10 0 CDAERP C[C@@]1(C[N@H+](CCN2CCOCC2)CC2CC2)CC[NH2+]C1 ZINC000663501513 414300450 /nfs/dbraw/zinc/30/04/50/414300450.db2.gz WZZLGPFGLMIZTB-MRXNPFEDSA-N 2 0 281.444 1.030 10 0 CDAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCC12CC(C1)C[NH2+]2 ZINC000663500531 414303325 /nfs/dbraw/zinc/30/33/25/414303325.db2.gz LAVCZJQZDCXZMD-JLVJUDLZSA-N 2 0 251.418 1.639 10 0 CDAERP CC[C@@H](C)[NH2+]CC(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000037804639 173745004 /nfs/dbraw/zinc/74/50/04/173745004.db2.gz OCGWDQMHTDEEMT-CYBMUJFWSA-N 2 0 269.433 1.706 10 0 CDAERP CCN(C(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1)[C@@H]1CC[N@H+](C)C1 ZINC000663681111 414403589 /nfs/dbraw/zinc/40/35/89/414403589.db2.gz IUUCPXHUGUPVDJ-RBSFLKMASA-N 2 0 294.443 1.349 10 0 CDAERP OCC[N@H+](CCc1ccccc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662253726 414588385 /nfs/dbraw/zinc/58/83/85/414588385.db2.gz CAILNZNFXLUYGQ-INIZCTEOSA-N 2 0 290.407 1.044 10 0 CDAERP COc1ccccc1CC[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662255248 414589994 /nfs/dbraw/zinc/58/99/94/414589994.db2.gz BNRSOWNOFZJTGO-HNNXBMFYSA-N 2 0 290.407 1.691 10 0 CDAERP Cc1ncsc1C[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662260945 414598593 /nfs/dbraw/zinc/59/85/93/414598593.db2.gz DEZCTRSKABOVBT-LLVKDONJSA-N 2 0 267.398 1.404 10 0 CDAERP COC[C@H](C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)OC ZINC000662292516 414618385 /nfs/dbraw/zinc/61/83/85/414618385.db2.gz FURMBXQKOKIZAW-CABCVRRESA-N 2 0 270.417 1.359 10 0 CDAERP CCC[NH+]1CCC([C@H](C)[NH2+]C[C@H]2COCCO2)CC1 ZINC000038060789 174071669 /nfs/dbraw/zinc/07/16/69/174071669.db2.gz PSLBFEWMHIBNTO-ZFWWWQNUSA-N 2 0 270.417 1.502 10 0 CDAERP CCC[C@@](C)([NH3+])C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000038101773 174118023 /nfs/dbraw/zinc/11/80/23/174118023.db2.gz GMHYTWNZDWVLDX-OAHLLOKOSA-N 2 0 267.417 1.591 10 0 CDAERP CCC[NH+]1CCC(N[C@@H]2CCC[N@H+](CC)C2)CC1 ZINC000040502079 174297993 /nfs/dbraw/zinc/29/79/93/174297993.db2.gz KYARXINLIAODGZ-OAHLLOKOSA-N 2 0 253.434 1.935 10 0 CDAERP O=C([C@H]1CCC[N@@H+]1C1CCCCCCC1)N1CC[NH2+]CC1 ZINC000040508060 174302813 /nfs/dbraw/zinc/30/28/13/174302813.db2.gz ASSWIPNXXGJWTK-MRXNPFEDSA-N 2 0 293.455 1.996 10 0 CDAERP CC[C@@H](C)[NH2+]CC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000040624568 174356414 /nfs/dbraw/zinc/35/64/14/174356414.db2.gz OINHGFTYCOKRDR-OLZOCXBDSA-N 2 0 255.406 1.221 10 0 CDAERP [NH3+]C[C@H](N1CCC([NH+]2CCCCC2)CC1)C(F)(F)F ZINC000040693601 174377570 /nfs/dbraw/zinc/37/75/70/174377570.db2.gz SBKGKGLDQCLRHX-LBPRGKRZSA-N 2 0 279.350 1.826 10 0 CDAERP CC(C)c1cc(N2CCC[N@@H+](C[C@@H](C)C[NH3+])CC2)ncn1 ZINC000040765971 174397774 /nfs/dbraw/zinc/39/77/74/174397774.db2.gz QDLILKJQBONMKG-AWEZNQCLSA-N 2 0 291.443 1.707 10 0 CDAERP CC[C@@H]([NH3+])[C@@H](c1ccncc1)N1CCC[N@H+](C)CC1 ZINC000043353168 175020215 /nfs/dbraw/zinc/02/02/15/175020215.db2.gz PGSTXRZVHNMRFL-HUUCEWRRSA-N 2 0 262.401 1.498 10 0 CDAERP C[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccc(C)c(C)c1 ZINC000043810574 175109851 /nfs/dbraw/zinc/10/98/51/175109851.db2.gz OHXHYCSKBJEYLB-MRXNPFEDSA-N 2 0 261.413 1.811 10 0 CDAERP C[NH2+][C@H]1CCCCC[C@H]1N1CC[NH+](CC2CC2)CC1 ZINC000043967843 175128809 /nfs/dbraw/zinc/12/88/09/175128809.db2.gz FRTGXUXFMVFCTQ-JKSUJKDBSA-N 2 0 265.445 1.935 10 0 CDAERP C[C@@H](C(=O)N1CCC(C[NH3+])CC1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000044512492 175188412 /nfs/dbraw/zinc/18/84/12/175188412.db2.gz YARZRARTIPXBNB-AVGNSLFASA-N 2 0 267.417 1.445 10 0 CDAERP C[C@@H](NC(=O)C[NH+]1CCC(C[NH3+])CC1)c1ccc(F)cc1 ZINC000044513887 175189428 /nfs/dbraw/zinc/18/94/28/175189428.db2.gz CAURMEMHKZDPNY-GFCCVEGCSA-N 2 0 293.386 1.674 10 0 CDAERP CC(C)c1nn(C)cc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000044516879 175190626 /nfs/dbraw/zinc/19/06/26/175190626.db2.gz TYSYXZBWKCTDAD-UHFFFAOYSA-N 2 0 264.417 1.975 10 0 CDAERP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)C(=O)N1CCCCCC1 ZINC000044518324 175191065 /nfs/dbraw/zinc/19/10/65/175191065.db2.gz WZLROLZZDNSFGT-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP COc1cc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)ccc1O ZINC000044535815 175198790 /nfs/dbraw/zinc/19/87/90/175198790.db2.gz VYLWZZANDTUKCK-CYBMUJFWSA-N 2 0 264.369 1.832 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000044564456 175207502 /nfs/dbraw/zinc/20/75/02/175207502.db2.gz KZKNMOADFDEOJF-XGUBFFRZSA-N 2 0 279.428 1.508 10 0 CDAERP CC(C)[NH2+][C@@](C)(CCCC[N@@H+]1CCO[C@@H](C)C1)C(N)=O ZINC000045377734 175367520 /nfs/dbraw/zinc/36/75/20/175367520.db2.gz JRYJLBGEIYGROS-ZFWWWQNUSA-N 2 0 285.432 1.119 10 0 CDAERP CC[NH2+][C@](C)(CCCC[N@H+](CC)C(C)C)C(N)=O ZINC000045383676 175371086 /nfs/dbraw/zinc/37/10/86/175371086.db2.gz HMYIWYMTKWZJTO-CQSZACIVSA-N 2 0 257.422 1.741 10 0 CDAERP CCOC(=O)[C@@](C)([NH3+])CCCC[N@H+](C)CC1CC1 ZINC000045419906 175378210 /nfs/dbraw/zinc/37/82/10/175378210.db2.gz SZCZSAWPDHZHMA-AWEZNQCLSA-N 2 0 256.390 1.779 10 0 CDAERP C[C@H](C[NH+]1CCCC1)NC(=O)Nc1cccc(C[NH3+])c1 ZINC000049186801 175467466 /nfs/dbraw/zinc/46/74/66/175467466.db2.gz OPSGIIOKDGMEJY-GFCCVEGCSA-N 2 0 276.384 1.751 10 0 CDAERP COCC[NH+](CCC[C@@](C)(CO)[NH2+]C(C)C)CCOC ZINC000070514833 175963946 /nfs/dbraw/zinc/96/39/46/175963946.db2.gz GHSVZVUCOCSPAI-HNNXBMFYSA-N 2 0 290.448 1.110 10 0 CDAERP C[C@H](CN1CCC[C@@H]([NH2+]C2CC2)C1=O)C[NH+]1CCCC1 ZINC000071031255 176022374 /nfs/dbraw/zinc/02/23/74/176022374.db2.gz QGEFYDGUAWCBJO-DZGCQCFKSA-N 2 0 279.428 1.461 10 0 CDAERP CC(C)[NH2+][C@H]1CCN(C[C@H]2CCCC[N@@H+]2C)C1=O ZINC000071033646 176024403 /nfs/dbraw/zinc/02/44/03/176024403.db2.gz JTPOIIUMWIZGLL-OLZOCXBDSA-N 2 0 253.390 1.070 10 0 CDAERP CC(C)[N@H+](C)CCCCN1CC[C@@H]([NH2+]C2CC2)C1=O ZINC000071034895 176024631 /nfs/dbraw/zinc/02/46/31/176024631.db2.gz YLEAJHWZSVHAAS-CQSZACIVSA-N 2 0 267.417 1.460 10 0 CDAERP CC(C)[NH2+][C@@H]1CCCN(CC2CC[NH+](C)CC2)C1=O ZINC000071035022 176025030 /nfs/dbraw/zinc/02/50/30/176025030.db2.gz QMQOXIDPKVWVFC-CQSZACIVSA-N 2 0 267.417 1.317 10 0 CDAERP CCC[NH2+][C@@H]1CCN(CC[NH+](C(C)C)C(C)C)C1=O ZINC000071036166 176025646 /nfs/dbraw/zinc/02/56/46/176025646.db2.gz XXHCJBDYSWYRIZ-CQSZACIVSA-N 2 0 269.433 1.706 10 0 CDAERP CCC[NH2+][C@H]1CCN(C[C@H](C)[NH+]2CCCCC2)C1=O ZINC000071036392 176025916 /nfs/dbraw/zinc/02/59/16/176025916.db2.gz FCDJERANWAQSMT-KBPBESRZSA-N 2 0 267.417 1.461 10 0 CDAERP C[C@@H]1CCC[C@@H]([NH+]2CCN(C(C)(C)C[NH3+])CC2)C1 ZINC000071147705 176044178 /nfs/dbraw/zinc/04/41/78/176044178.db2.gz GHQGXFUNYYBJBD-ZIAGYGMSSA-N 2 0 253.434 1.920 10 0 CDAERP CC[C@H]1CCCC[C@@]1(C[NH3+])N1CC[C@H]([NH+](C)C)C1 ZINC000071162205 176046622 /nfs/dbraw/zinc/04/66/22/176046622.db2.gz XEWXKDCXWCRKCD-KKUMJFAQSA-N 2 0 253.434 1.920 10 0 CDAERP CN(CC(=O)Nc1cccc(N)c1)C[C@@H]1CC[N@H+](C)C1 ZINC000071187645 176060885 /nfs/dbraw/zinc/06/08/85/176060885.db2.gz WDLSYQHQXGHEAL-GFCCVEGCSA-N 2 0 276.384 1.091 10 0 CDAERP COc1ccccc1[C@H](C[NH3+])N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071187885 176061293 /nfs/dbraw/zinc/06/12/93/176061293.db2.gz KGFKKRPQTBKVLM-HIFRSBDPSA-N 2 0 277.412 1.579 10 0 CDAERP CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1cccc(C[NH3+])c1 ZINC000071188024 176062155 /nfs/dbraw/zinc/06/21/55/176062155.db2.gz JPEKCHJWOYQTDH-ZDUSSCGKSA-N 2 0 261.369 1.169 10 0 CDAERP CCN[C@@](C)(CCC[N@H+](C)C[C@@H]1CC[NH+](C)C1)C(=O)OC ZINC000071190924 176068556 /nfs/dbraw/zinc/06/85/56/176068556.db2.gz RYHJMCUSKNAIMQ-HOCLYGCPSA-N 2 0 299.459 1.191 10 0 CDAERP C[N@H+](CC[C@H](O)c1ccccc1)C[C@@H]1CC[NH+](C)C1 ZINC000071191587 176070033 /nfs/dbraw/zinc/07/00/33/176070033.db2.gz XFSUFLLXKSRDSY-ZBFHGGJFSA-N 2 0 262.397 1.994 10 0 CDAERP CCC[NH2+]Cc1cc(CN(C)C[C@H]2CC[N@H+](C)C2)on1 ZINC000071191907 176071076 /nfs/dbraw/zinc/07/10/76/176071076.db2.gz LVUYMBPLDLSQLH-ZDUSSCGKSA-N 2 0 280.416 1.558 10 0 CDAERP CN(C[C@H]1CC[N@H+](C)C1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000071192004 176072046 /nfs/dbraw/zinc/07/20/46/176072046.db2.gz MVHLKRBVDDBNIA-ZDUSSCGKSA-N 2 0 276.384 1.561 10 0 CDAERP C[C@H]1C[C@H]([NH3+])CC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071193290 176075272 /nfs/dbraw/zinc/07/52/72/176075272.db2.gz GMHJRIXZEMUIOC-DGAVXFQQSA-N 2 0 267.417 1.160 10 0 CDAERP CC(C)[NH2+][C@@H]1CCCN(CC2CC[NH+](C)CC2)C1 ZINC000071201202 176077762 /nfs/dbraw/zinc/07/77/62/176077762.db2.gz SYAYGVFPAOCDCO-OAHLLOKOSA-N 2 0 253.434 1.791 10 0 CDAERP CCCC[N@H+](CCO)Cc1ccc(F)cc1C(N)=[NH2+] ZINC000071267828 176100917 /nfs/dbraw/zinc/10/09/17/176100917.db2.gz PRWBTZUVENWBNX-UHFFFAOYSA-N 2 0 267.348 1.704 10 0 CDAERP C[NH+](C)[C@@H]1CCN(Cc2ccc(F)cc2C(N)=[NH2+])C1 ZINC000071268047 176101583 /nfs/dbraw/zinc/10/15/83/176101583.db2.gz VNCYJXACPLBNNM-GFCCVEGCSA-N 2 0 264.348 1.246 10 0 CDAERP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H](C)Cc1cccs1 ZINC000071270852 176104168 /nfs/dbraw/zinc/10/41/68/176104168.db2.gz ARKJHFYLJHXFCY-QWHCGFSZSA-N 2 0 270.442 1.971 10 0 CDAERP CC[NH2+]CCCCCC[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000071290025 176110445 /nfs/dbraw/zinc/11/04/45/176110445.db2.gz ZPXTYBWOGLVRCH-MRXNPFEDSA-N 2 0 283.460 1.563 10 0 CDAERP CC[NH+]1CCC([C@@H](C)[NH2+]Cc2ccnn2C)CC1 ZINC000071333310 176126029 /nfs/dbraw/zinc/12/60/29/176126029.db2.gz YVOZCHWFGCYOIA-GFCCVEGCSA-N 2 0 250.390 1.630 10 0 CDAERP CC[C@@H](CC[NH3+])CCC(=O)NCC(C)(C)[NH+](C)C ZINC000079211878 177447463 /nfs/dbraw/zinc/44/74/63/177447463.db2.gz OAQMLCHHNRUZHR-GFCCVEGCSA-N 2 0 257.422 1.598 10 0 CDAERP CC[C@H](CC[NH3+])CCC(=O)N[C@H](C)CC[NH+](C)C ZINC000079212528 177447950 /nfs/dbraw/zinc/44/79/50/177447950.db2.gz WLJVJNUJGJFZFU-OLZOCXBDSA-N 2 0 257.422 1.598 10 0 CDAERP CC(C)OCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001666553662 1173150066 /nfs/dbraw/zinc/15/00/66/1173150066.db2.gz WMDUXGZJWZWHKN-RBSFLKMASA-N 2 0 299.459 1.094 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CCF ZINC001666574363 1173154889 /nfs/dbraw/zinc/15/48/89/1173154889.db2.gz XBXVPCRDBJPFDT-UONOGXRCSA-N 2 0 287.423 1.418 10 0 CDAERP C[N@@H+](Cc1cccc(F)c1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249583 423791700 /nfs/dbraw/zinc/79/17/00/423791700.db2.gz OQWZJYRPVZXTDM-CQSZACIVSA-N 2 0 264.344 1.779 10 0 CDAERP CCc1nnc([C@H](C)N2C[C@H](C[NH3+])C3(C2)CCOCC3)[nH]1 ZINC000662272705 423834774 /nfs/dbraw/zinc/83/47/74/423834774.db2.gz GYSNJRKYCTWHCE-RYUDHWBXSA-N 2 0 293.415 1.115 10 0 CDAERP CC1(C)NC(=O)CC[C@H]1[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663464152 423841023 /nfs/dbraw/zinc/84/10/23/423841023.db2.gz CRASODQECDXBJE-LSDHHAIUSA-N 2 0 293.455 1.755 10 0 CDAERP CCC(CC)C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000651890751 423856997 /nfs/dbraw/zinc/85/69/97/423856997.db2.gz RERBXBZRKPEGPD-UHFFFAOYSA-N 2 0 255.406 1.128 10 0 CDAERP CC1(C)[NH2+]CC[C@H]1NCc1nc2c(s1)C[NH2+]CC2 ZINC000663499914 423893662 /nfs/dbraw/zinc/89/36/62/423893662.db2.gz XIWWFEFHMYAJOV-LLVKDONJSA-N 2 0 266.414 1.019 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000659524375 423901822 /nfs/dbraw/zinc/90/18/22/423901822.db2.gz SVHSGOSYMUNTRG-XQQFMLRXSA-N 2 0 270.421 1.177 10 0 CDAERP CO[C@H](C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1)C1CCC1 ZINC000662326348 423961800 /nfs/dbraw/zinc/96/18/00/423961800.db2.gz RYBJDWGGFYGPDH-HZPDHXFCSA-N 2 0 284.444 1.844 10 0 CDAERP C[C@H](C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000655246293 424074451 /nfs/dbraw/zinc/07/44/51/424074451.db2.gz GKVXGSNKKHHRKZ-RYPNDVFKSA-N 2 0 281.444 1.704 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)NCCC1(C[NH3+])CC1 ZINC000652224610 424084385 /nfs/dbraw/zinc/08/43/85/424084385.db2.gz CPYDKLKZNVRFRX-UHFFFAOYSA-N 2 0 284.448 1.393 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000652201747 424052646 /nfs/dbraw/zinc/05/26/46/424052646.db2.gz ONLOYAXRVFARDJ-HNNXBMFYSA-N 2 0 290.411 1.347 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000652223501 424098832 /nfs/dbraw/zinc/09/88/32/424098832.db2.gz HBDKPXJQTUMLFE-IUODEOHRSA-N 2 0 290.411 1.333 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653109879 424274806 /nfs/dbraw/zinc/27/48/06/424274806.db2.gz PTGSYQCDBANFLY-UONOGXRCSA-N 2 0 267.417 1.367 10 0 CDAERP CNC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000093491132 265181574 /nfs/dbraw/zinc/18/15/74/265181574.db2.gz JHNDLCMVARPTKO-QNWHQSFQSA-N 2 0 253.390 1.021 10 0 CDAERP O=C(NCCC[C@@H]1CCC[NH2+]1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653145727 424372447 /nfs/dbraw/zinc/37/24/47/424372447.db2.gz HKLOXNUKIMLTCH-BFHYXJOUSA-N 2 0 265.401 1.165 10 0 CDAERP O=C(NC1CC([NH+]2CCCCC2)C1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653151512 424386699 /nfs/dbraw/zinc/38/66/99/424386699.db2.gz JBEKIRMHQPKLJB-SSHXOBKSSA-N 2 0 291.439 1.650 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000659620230 424416269 /nfs/dbraw/zinc/41/62/69/424416269.db2.gz YKYXBNJJDFSUHS-FRRDWIJNSA-N 2 0 270.421 1.129 10 0 CDAERP CO[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])[C@@H]1CCOC1 ZINC000665234609 424467235 /nfs/dbraw/zinc/46/72/35/424467235.db2.gz HCFQJJKDBFIRPF-XJFOESAGSA-N 2 0 256.390 1.288 10 0 CDAERP C[NH+](C)CCC[C@H]1CN(C(=O)CC[C@@H]2CCC[NH2+]2)CCO1 ZINC000662973175 424580469 /nfs/dbraw/zinc/58/04/69/424580469.db2.gz PGOAYYAUDKEPIV-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@@H]1CSC[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000397851166 270351604 /nfs/dbraw/zinc/35/16/04/270351604.db2.gz UTAOZAUHDPJLHL-FRRDWIJNSA-N 2 0 258.431 1.174 10 0 CDAERP CN1C(=O)c2ccccc2[C@@H]1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000530222114 271163763 /nfs/dbraw/zinc/16/37/63/271163763.db2.gz FUQKHKALLMTNDL-XUJVJEKNSA-N 2 0 273.380 1.673 10 0 CDAERP COc1ccc(CC[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)cn1 ZINC000530224051 271167804 /nfs/dbraw/zinc/16/78/04/271167804.db2.gz VYRVTACBGNOMJJ-TZMCWYRMSA-N 2 0 263.385 1.610 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+]2CCCC[C@H]2C1 ZINC000246829152 276171699 /nfs/dbraw/zinc/17/16/99/276171699.db2.gz CRWKGHCRPRJPJC-CABCVRRESA-N 2 0 294.443 1.350 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)Cc2cc(C)n[nH]2)[C@H](C)C1 ZINC000090529037 276230180 /nfs/dbraw/zinc/23/01/80/276230180.db2.gz DNIQLQNKGIBCDC-XUJVJEKNSA-N 2 0 264.417 1.969 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCCCC[C@H]2[NH3+])C1 ZINC000423093808 276288625 /nfs/dbraw/zinc/28/86/25/276288625.db2.gz IMNCQNKJYSFSAZ-RQJABVFESA-N 2 0 268.401 1.968 10 0 CDAERP C[NH2+]C[C@H](C)CNC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000418378378 277281831 /nfs/dbraw/zinc/28/18/31/277281831.db2.gz GDNXCFUSKWBZGV-AWEZNQCLSA-N 2 0 292.427 1.055 10 0 CDAERP CC(C)C(=O)N1CC[NH+](C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000334883298 277331807 /nfs/dbraw/zinc/33/18/07/277331807.db2.gz VSRQEEKWTPWRQS-KGLIPLIRSA-N 2 0 267.417 1.175 10 0 CDAERP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000453315126 278164350 /nfs/dbraw/zinc/16/43/50/278164350.db2.gz IWZYWSKWJOQUFG-AAVRWANBSA-N 2 0 254.418 1.998 10 0 CDAERP CC[NH+](CC)C[C@@H]1CC[N@H+](CC2(C(=O)OC)CC2)C1 ZINC000450449119 279125125 /nfs/dbraw/zinc/12/51/25/279125125.db2.gz DVYUKYCAPGFXGK-ZDUSSCGKSA-N 2 0 268.401 1.603 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@@H]1C[NH2+]C ZINC000417012218 279156999 /nfs/dbraw/zinc/15/69/99/279156999.db2.gz WJYORXBHTNKLMH-CHWSQXEVSA-N 2 0 270.421 1.110 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000312486645 279254857 /nfs/dbraw/zinc/25/48/57/279254857.db2.gz ZPUGKUXLHQPMMX-ZIAGYGMSSA-N 2 0 277.416 1.553 10 0 CDAERP COc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091542860 279286404 /nfs/dbraw/zinc/28/64/04/279286404.db2.gz DWBNFCNOJLFAMA-OLZOCXBDSA-N 2 0 291.395 1.823 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000361724707 279675465 /nfs/dbraw/zinc/67/54/65/279675465.db2.gz AFBMMFSBVNOJBB-RBSFLKMASA-N 2 0 279.428 1.591 10 0 CDAERP CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCOC)[NH+](CC)CC ZINC000345774452 280077903 /nfs/dbraw/zinc/07/79/03/280077903.db2.gz YIEQFQXZGOXPNO-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000234332632 280123991 /nfs/dbraw/zinc/12/39/91/280123991.db2.gz OPSOEQYUMUGOBS-STQMWFEESA-N 2 0 267.417 1.223 10 0 CDAERP COCC[N@@H+]1CCN(CC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000246922475 280310289 /nfs/dbraw/zinc/31/02/89/280310289.db2.gz WGMWHWPUZQHFTJ-INIZCTEOSA-N 2 0 283.460 1.371 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)[C@@H](C)C1 ZINC000247132365 280320694 /nfs/dbraw/zinc/32/06/94/280320694.db2.gz ATBNIXWIJKLRSP-AJNGGQMLSA-N 2 0 254.418 1.857 10 0 CDAERP CC(C)[C@H]([NH2+]CCN1CC[NH2+]CC1)c1cccnc1 ZINC000423205807 280325751 /nfs/dbraw/zinc/32/57/51/280325751.db2.gz PQBHYKMSGMHBKE-HNNXBMFYSA-N 2 0 262.401 1.274 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000418584406 288320911 /nfs/dbraw/zinc/32/09/11/288320911.db2.gz CADYKNJPBWUCQI-KFWWJZLASA-N 2 0 296.459 1.500 10 0 CDAERP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000335534584 288846437 /nfs/dbraw/zinc/84/64/37/288846437.db2.gz JYDNQWFMHSXYQA-JSGCOSHPSA-N 2 0 265.401 1.071 10 0 CDAERP C[C@H](C(=O)N[C@@H]1C[NH2+]CCC1(F)F)[NH+]1CCCCCC1 ZINC000334654826 289366705 /nfs/dbraw/zinc/36/67/05/289366705.db2.gz QVHWSGKFJJKWFN-VXGBXAGGSA-N 2 0 289.370 1.364 10 0 CDAERP CN(CCC(=O)NCC(C)(C)[NH+](C)C)c1cc[nH+]cc1 ZINC000540928440 289470148 /nfs/dbraw/zinc/47/01/48/289470148.db2.gz CQEZEQZIAHDCEX-UHFFFAOYSA-N 2 0 278.400 1.364 10 0 CDAERP CN1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CCC1=O ZINC000353526125 290309656 /nfs/dbraw/zinc/30/96/56/290309656.db2.gz ICVSKMWZRLGHKI-RQJABVFESA-N 2 0 265.401 1.070 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCC1([NH3+])CCC1 ZINC000417534455 290501856 /nfs/dbraw/zinc/50/18/56/290501856.db2.gz OHKMQXZYLQPNTO-STQMWFEESA-N 2 0 282.432 1.430 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC1([NH3+])CCCCCC1 ZINC000561182776 293059241 /nfs/dbraw/zinc/05/92/41/293059241.db2.gz PPRSCXKCGOSNQW-NWDGAFQWSA-N 2 0 253.390 1.152 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H](C(C)C)N1CCCC1 ZINC000234790370 293095970 /nfs/dbraw/zinc/09/59/70/293095970.db2.gz ZDGXHSZJTMZFJG-LSDHHAIUSA-N 2 0 271.449 1.450 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCCO[C@H]1CC(C)C ZINC000423051839 293098350 /nfs/dbraw/zinc/09/83/50/293098350.db2.gz OHJFWSDUXMREGE-KKUMJFAQSA-N 2 0 272.433 1.924 10 0 CDAERP CC[NH2+]Cc1cccc(NC(=O)[C@H]([NH3+])CCC(=O)OC)c1 ZINC000564331241 293344257 /nfs/dbraw/zinc/34/42/57/293344257.db2.gz UVFFWCRBYWZJID-CYBMUJFWSA-N 2 0 293.367 1.015 10 0 CDAERP [NH3+]C[C@@H](C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000569241077 294180855 /nfs/dbraw/zinc/18/08/55/294180855.db2.gz JZKRWZPPGVAJGS-LERXQTSPSA-N 2 0 279.359 1.112 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000570282640 294209346 /nfs/dbraw/zinc/20/93/46/294209346.db2.gz YCLVFVSQOGWIHN-BXUZGUMPSA-N 2 0 261.369 1.199 10 0 CDAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]C2CCC(C)(C)CC2)CC1 ZINC000572993033 294733019 /nfs/dbraw/zinc/73/30/19/294733019.db2.gz LABDZKIRKWZRRI-HNNXBMFYSA-N 2 0 283.460 1.153 10 0 CDAERP COC(=O)CC[N@H+](C[C@H]1CCCO1)C[C@@]1(C)CC[NH2+]C1 ZINC000574916853 295076612 /nfs/dbraw/zinc/07/66/12/295076612.db2.gz ITWWTUNNEXGEKP-HIFRSBDPSA-N 2 0 284.400 1.030 10 0 CDAERP COc1ccc([C@H](C)[NH2+][C@H](C)C2C[NH2+]C2)cc1OC ZINC000422936725 295238087 /nfs/dbraw/zinc/23/80/87/295238087.db2.gz FWRQYMLNJQGVOE-WDEREUQCSA-N 2 0 264.369 1.962 10 0 CDAERP COc1ccccc1[C@@H]1C[NH2+]CCN1C[C@@H]1CCC[NH2+]C1 ZINC000262160030 295393697 /nfs/dbraw/zinc/39/36/97/295393697.db2.gz GVFQAKVXWCJMSB-ZBFHGGJFSA-N 2 0 289.423 1.641 10 0 CDAERP C[C@H](C(=O)N1CC[C@H]([NH+](C)C)C1)[NH+]1CCCCCC1 ZINC000173977874 298083201 /nfs/dbraw/zinc/08/32/01/298083201.db2.gz DVYIOGSOKMKALJ-KGLIPLIRSA-N 2 0 267.417 1.413 10 0 CDAERP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCC3(C2)CCCCC3)C1 ZINC000335271977 303365426 /nfs/dbraw/zinc/36/54/26/303365426.db2.gz LLJMBXVKEWHYNS-HNNXBMFYSA-N 2 0 293.455 1.840 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000089462249 303425823 /nfs/dbraw/zinc/42/58/23/303425823.db2.gz QMEMCBLPBCXWNM-RBSFLKMASA-N 2 0 279.428 1.448 10 0 CDAERP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000335485113 303430826 /nfs/dbraw/zinc/43/08/26/303430826.db2.gz GWYYYTUJWLQQKR-HIFRSBDPSA-N 2 0 288.395 1.006 10 0 CDAERP CC[NH2+]CCCN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001670095547 1173653310 /nfs/dbraw/zinc/65/33/10/1173653310.db2.gz OLLKYKKEXLZXHE-UHFFFAOYSA-N 2 0 269.433 1.709 10 0 CDAERP c1[nH+]cn2cc(C[NH2+][C@@H](C3CC3)[C@@H]3CNCCO3)ccc12 ZINC000566555685 316628109 /nfs/dbraw/zinc/62/81/09/316628109.db2.gz MRFGYUAAKRFWMK-HOTGVXAUSA-N 2 0 286.379 1.191 10 0 CDAERP CCCC[C@H](C[NH3+])NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000566787000 316677130 /nfs/dbraw/zinc/67/71/30/316677130.db2.gz MAQUBSMCKLNPHK-UKRRQHHQSA-N 2 0 282.432 1.289 10 0 CDAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)CCCC[NH3+] ZINC000576276375 317108177 /nfs/dbraw/zinc/10/81/77/317108177.db2.gz HVSXIGBZFMKGOF-HNNXBMFYSA-N 2 0 277.412 1.405 10 0 CDAERP C[N@@H+]1CC[C@](O)(CNCc2ccnn2-c2ccccc2)C1 ZINC000576934289 317232389 /nfs/dbraw/zinc/23/23/89/317232389.db2.gz UFODAUGODAQQRY-INIZCTEOSA-N 2 0 286.379 1.029 10 0 CDAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]CC1CC1 ZINC001672306124 1173764932 /nfs/dbraw/zinc/76/49/32/1173764932.db2.gz SUBZFRPPSXQJSL-OCCSQVGLSA-N 2 0 267.417 1.032 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)CC1 ZINC001673407050 1173852915 /nfs/dbraw/zinc/85/29/15/1173852915.db2.gz MKTDWCGMQHBAKW-ZDUSSCGKSA-N 2 0 255.406 1.317 10 0 CDAERP CC(C)[NH2+]CCCNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000581992556 324876676 /nfs/dbraw/zinc/87/66/76/324876676.db2.gz YQTJVYHNDOHKTJ-GFCCVEGCSA-N 2 0 255.406 1.269 10 0 CDAERP [NH3+]C[C@@H](NC(=O)NC1CC([NH+]2CCCCC2)C1)C1CC1 ZINC000582595827 325004980 /nfs/dbraw/zinc/00/49/80/325004980.db2.gz UETCKNONILMYGU-JXQTWKCFSA-N 2 0 280.416 1.040 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001625876096 1159123748 /nfs/dbraw/zinc/12/37/48/1159123748.db2.gz QEUMJAYIFJWQIK-MGPQQGTHSA-N 2 0 267.417 1.317 10 0 CDAERP CC(C)C[C@H](C)C[NH+]1CC(NC(=O)CC[NH+](C)C)C1 ZINC001267658728 1159559488 /nfs/dbraw/zinc/55/94/88/1159559488.db2.gz JVTYABKAXQKXFO-ZDUSSCGKSA-N 2 0 269.433 1.421 10 0 CDAERP CC(C)=CC[NH+]1CC(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001267701270 1159571356 /nfs/dbraw/zinc/57/13/56/1159571356.db2.gz OIQCGVCRLISFEO-GJZGRUSLSA-N 2 0 293.455 1.873 10 0 CDAERP CO[C@@H](C)C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)C(C)C ZINC001732015909 1159692015 /nfs/dbraw/zinc/69/20/15/1159692015.db2.gz WEJSHGGAOBRTOM-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@H]([NH2+]CCC1(CO)CCC1)C1CC[NH+](C)CC1 ZINC000652310327 482460819 /nfs/dbraw/zinc/46/08/19/482460819.db2.gz COUMWMXPHRKYKA-ZDUSSCGKSA-N 2 0 254.418 1.859 10 0 CDAERP O[C@@H]1CC[N@@H+](C2CC[NH+](C[C@@H]3CCSC3)CC2)C1 ZINC000668739725 482222789 /nfs/dbraw/zinc/22/27/89/482222789.db2.gz OZFHGNAADJESKS-GXTWGEPZSA-N 2 0 270.442 1.271 10 0 CDAERP C[C@]1(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CCC[NH2+]1 ZINC000079518263 482373761 /nfs/dbraw/zinc/37/37/61/482373761.db2.gz APUMKSWNBNPXHC-UKRRQHHQSA-N 2 0 265.401 1.215 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(C(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662672893 482418703 /nfs/dbraw/zinc/41/87/03/482418703.db2.gz GBQSDBDMALGEFC-AWEZNQCLSA-N 2 0 279.428 1.604 10 0 CDAERP C[C@@H]([NH3+])CC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000662687004 482420048 /nfs/dbraw/zinc/42/00/48/482420048.db2.gz TWHHPMIEAQYCJI-MFKMUULPSA-N 2 0 263.341 1.023 10 0 CDAERP C[NH2+]CCCC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000662687417 482420296 /nfs/dbraw/zinc/42/02/96/482420296.db2.gz XSXWSTYQXJEFFU-CQSZACIVSA-N 2 0 277.368 1.286 10 0 CDAERP C[C@H]1C[C@H](N(C)C(=O)CC[NH2+]C2CC2)CC[N@@H+]1C ZINC000655449217 482494967 /nfs/dbraw/zinc/49/49/67/482494967.db2.gz PKXDEPFDROSYHT-WCQYABFASA-N 2 0 253.390 1.070 10 0 CDAERP C[C@@H]([NH2+]C[C@H](CO)c1cccnc1)C1CC[NH+](C)CC1 ZINC000672618711 482495729 /nfs/dbraw/zinc/49/57/29/482495729.db2.gz WYLHAMOWXXJQKH-CZUORRHYSA-N 2 0 277.412 1.477 10 0 CDAERP C[NH+]1CCC(CCNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000157931525 482511258 /nfs/dbraw/zinc/51/12/58/482511258.db2.gz FWZYKLBYGYFICI-ZIAGYGMSSA-N 2 0 267.417 1.210 10 0 CDAERP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](CC3CC3)C2)[C@H]2CCC[C@H]21 ZINC000671746790 482543130 /nfs/dbraw/zinc/54/31/30/482543130.db2.gz IVBNZAASAZRELV-WCXIOVBPSA-N 2 0 277.456 1.933 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H]([NH3+])CC(C)C ZINC000092629640 482630493 /nfs/dbraw/zinc/63/04/93/482630493.db2.gz PLPMLXLEJNMBHF-QWHCGFSZSA-N 2 0 255.406 1.303 10 0 CDAERP CCC[N@@H+]1CC[C@@H](NC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)C1 ZINC000659612375 482649757 /nfs/dbraw/zinc/64/97/57/482649757.db2.gz WHKDXAUXOXGGTJ-OCCSQVGLSA-N 2 0 280.416 1.007 10 0 CDAERP COC1(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CCOCC1 ZINC000671754057 482660850 /nfs/dbraw/zinc/66/08/50/482660850.db2.gz QRGCBACOOXLPFN-KFWWJZLASA-N 2 0 282.428 1.644 10 0 CDAERP CC1CC[NH+](CCCCNC(=O)NC/C=C/C[NH3+])CC1 ZINC000669365872 482747151 /nfs/dbraw/zinc/74/71/51/482747151.db2.gz ZWDLMGUVAHYGMG-NSCUHMNNSA-N 2 0 282.432 1.313 10 0 CDAERP COCC1(CC[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])CC1 ZINC000647801467 482757177 /nfs/dbraw/zinc/75/71/77/482757177.db2.gz WREKMKLTABQZRV-FRRDWIJNSA-N 2 0 256.390 1.145 10 0 CDAERP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCC[C@@H](OC)C2)CC1 ZINC000684368618 482776929 /nfs/dbraw/zinc/77/69/29/482776929.db2.gz BWYYGSCPCURPEB-IAGOWNOFSA-N 2 0 297.487 1.951 10 0 CDAERP CO[C@@H]1CCC[C@@H]([NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000684380039 482781930 /nfs/dbraw/zinc/78/19/30/482781930.db2.gz XUDYLEMCNNETFS-HLLBOEOZSA-N 2 0 295.471 1.702 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)C(F)(F)F)[C@H]2CCC[C@H]21 ZINC000671762337 482784387 /nfs/dbraw/zinc/78/43/87/482784387.db2.gz OAEQJFBWTREDNH-LMLFDSFASA-N 2 0 266.307 1.372 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCC[C@@H](OC)C2)CC1 ZINC000684389103 482787138 /nfs/dbraw/zinc/78/71/38/482787138.db2.gz JVTNMJQIBKKNMF-HZPDHXFCSA-N 2 0 283.460 1.561 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000684390675 482788548 /nfs/dbraw/zinc/78/85/48/482788548.db2.gz KRHQXQIWFIHTJK-QLFBSQMISA-N 2 0 272.433 1.890 10 0 CDAERP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H]2CCC[NH+](C)C2)C[C@H]1C ZINC000677962093 482866747 /nfs/dbraw/zinc/86/67/47/482866747.db2.gz JACMDUNYFXTTTI-HZSPNIEDSA-N 2 0 282.432 1.205 10 0 CDAERP CC(C)(CC[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1)C1CC1 ZINC000406013483 482878375 /nfs/dbraw/zinc/87/83/75/482878375.db2.gz XFJRBAHVRLZSBZ-CYBMUJFWSA-N 2 0 281.444 1.600 10 0 CDAERP CC(C)[C@@H]([NH3+])CCN(C)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000669403209 482887203 /nfs/dbraw/zinc/88/72/03/482887203.db2.gz OPYGCGJBVYIHCT-STQMWFEESA-N 2 0 270.421 1.095 10 0 CDAERP C[C@@H](O)C[NH+]1CCN(c2cc[nH+]c3c(O)cccc23)CC1 ZINC000684573005 482888334 /nfs/dbraw/zinc/88/83/34/482888334.db2.gz OSJAPWFHIJFBQI-GFCCVEGCSA-N 2 0 287.363 1.443 10 0 CDAERP Cc1nccn1CCCNC(=O)[C@@H]1CCc2nc[nH]c2C1 ZINC000666897679 482968615 /nfs/dbraw/zinc/96/86/15/482968615.db2.gz XVTCWYJFUMIBGD-GFCCVEGCSA-N 2 0 287.367 1.226 10 0 CDAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCC2CCCCC2)CC1 ZINC000666126341 483037629 /nfs/dbraw/zinc/03/76/29/483037629.db2.gz LUYJXTFSFVNSKR-INIZCTEOSA-N 2 0 283.460 1.155 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1C(=O)NCC[C@@H]1C ZINC000685044946 483078083 /nfs/dbraw/zinc/07/80/83/483078083.db2.gz SPTNFBXDDYFWPR-XHDPSFHLSA-N 2 0 299.378 1.190 10 0 CDAERP [NH3+]C[C@@H](NC(=O)Nc1cnn(-c2cc[nH+]cc2)c1)C1CC1 ZINC000667148551 483110601 /nfs/dbraw/zinc/11/06/01/483110601.db2.gz AFEJNCFFEONOQI-CYBMUJFWSA-N 2 0 286.339 1.126 10 0 CDAERP C[NH+](C)CCN(Cc1ccccc1)C(=O)C[C@H]1CC[NH2+]C1 ZINC000089744048 483127808 /nfs/dbraw/zinc/12/78/08/483127808.db2.gz IDWYHQRKUFVKLD-MRXNPFEDSA-N 2 0 289.423 1.576 10 0 CDAERP C[NH+](C)C[C@@H](NC(=O)C[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000089746546 483130841 /nfs/dbraw/zinc/13/08/41/483130841.db2.gz ODOYMKYVEHDGMY-UKRRQHHQSA-N 2 0 275.396 1.405 10 0 CDAERP OCC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)CC1CC1 ZINC000667557462 483330058 /nfs/dbraw/zinc/33/00/58/483330058.db2.gz WSDBDZWJKWRRGN-UHFFFAOYSA-N 2 0 272.352 1.472 10 0 CDAERP CNC(=O)[C@@H]1CCC[N@H+](Cc2ccnn2-c2ccncc2)C1 ZINC000667626237 483357546 /nfs/dbraw/zinc/35/75/46/483357546.db2.gz NJONOGDXPPLLGZ-CYBMUJFWSA-N 2 0 299.378 1.225 10 0 CDAERP C[C@H](NC(=O)N[C@H]1CCC[N@H+](C)C1)C1=CC[NH+](C)CC1 ZINC000679686407 483422457 /nfs/dbraw/zinc/42/24/57/483422457.db2.gz MSXVFSYKEGSXHM-JSGCOSHPSA-N 2 0 280.416 1.030 10 0 CDAERP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667853427 483460990 /nfs/dbraw/zinc/46/09/90/483460990.db2.gz BHDLDUHXXZVAEC-IAGOWNOFSA-N 2 0 295.471 1.417 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCCF)C1 ZINC001691571095 1160702574 /nfs/dbraw/zinc/70/25/74/1160702574.db2.gz DSLMAONSCSKLLZ-MJBXVCDLSA-N 2 0 285.407 1.315 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)C[C@H]1CCCC[NH2+]1 ZINC000049225477 519814109 /nfs/dbraw/zinc/81/41/09/519814109.db2.gz BSTDESMZMLOJBC-OLZOCXBDSA-N 2 0 255.406 1.221 10 0 CDAERP CC[NH2+]C[C@@]1(CN2CCC[C@@H]2C[NH+](C)C)CCOC1 ZINC000061653479 519957839 /nfs/dbraw/zinc/95/78/39/519957839.db2.gz XWCGAWHKTVYKDT-HUUCEWRRSA-N 2 0 269.433 1.029 10 0 CDAERP CCC[NH2+]Cc1cn(CC[N@H+](C)[C@@H](C)C(C)C)nn1 ZINC000052478527 519959251 /nfs/dbraw/zinc/95/92/51/519959251.db2.gz DVBHMINJISSOJC-ZDUSSCGKSA-N 2 0 267.421 1.754 10 0 CDAERP CC(C)[N@H+](C)CCCNC(=O)CC[NH+]1CCCCC1 ZINC001707424252 1178036891 /nfs/dbraw/zinc/03/68/91/1178036891.db2.gz UVXBJWPKMVGDOR-UHFFFAOYSA-N 2 0 269.433 1.709 10 0 CDAERP CC[NH2+]Cc1coc(C[N@H+](CCOC)[C@@H](C)COC)c1 ZINC000052572388 520017667 /nfs/dbraw/zinc/01/76/67/520017667.db2.gz QAVQZEOCPZEQDV-ZDUSSCGKSA-N 2 0 284.400 1.872 10 0 CDAERP CC[NH2+][C@H]1CCCC[C@@H]1N1CCC[C@@H]1C[NH+](C)C ZINC000061643599 520213581 /nfs/dbraw/zinc/21/35/81/520213581.db2.gz MKJHFLCFGMGVBF-ILXRZTDVSA-N 2 0 253.434 1.933 10 0 CDAERP O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@@H](CC[NH2+]CCF)C1 ZINC001672795606 1161400013 /nfs/dbraw/zinc/40/00/13/1161400013.db2.gz GBZFEJZUSGOIHC-HIFRSBDPSA-N 2 0 297.418 1.126 10 0 CDAERP CCCCCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001673898520 1161405063 /nfs/dbraw/zinc/40/50/63/1161405063.db2.gz QXGZAFYGOPZQTP-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001714730204 1179364538 /nfs/dbraw/zinc/36/45/38/1179364538.db2.gz MEBRVKVMYBIFDT-CQSZACIVSA-N 2 0 283.460 1.811 10 0 CDAERP COCCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1C ZINC001691684984 1161560638 /nfs/dbraw/zinc/56/06/38/1161560638.db2.gz QADZDJDAIBRODH-HIFRSBDPSA-N 2 0 297.443 1.086 10 0 CDAERP C[NH2+]Cc1sc(N2CCC[N@H+](C)CC2)nc1C1CC1 ZINC000069146549 522167183 /nfs/dbraw/zinc/16/71/83/522167183.db2.gz BFGWJUVAJWQXRB-UHFFFAOYSA-N 2 0 280.441 1.882 10 0 CDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000417987689 534027010 /nfs/dbraw/zinc/02/70/10/534027010.db2.gz RLDWKBMAIGIYMN-HZSPNIEDSA-N 2 0 292.427 1.542 10 0 CDAERP CC(C)(C)[NH+]1CCN(C(=O)C[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000055141069 518709337 /nfs/dbraw/zinc/70/93/37/518709337.db2.gz YJVDXXDGPHQTDH-UONOGXRCSA-N 2 0 281.444 1.837 10 0 CDAERP CC(C)(C)[NH+]1CCN(C(=O)C[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000055141105 518710001 /nfs/dbraw/zinc/71/00/01/518710001.db2.gz ZPAPXJAHVMMBAP-KGLIPLIRSA-N 2 0 281.444 1.837 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)C[C@H]2CCCC[NH2+]2)CC1 ZINC000055082540 519723490 /nfs/dbraw/zinc/72/34/90/519723490.db2.gz ORLONYSZMVQQHA-CQSZACIVSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)CC2CCC([NH3+])CC2)CC1 ZINC000055132100 519723756 /nfs/dbraw/zinc/72/37/56/519723756.db2.gz RBAAZRWFHGDOJE-UHFFFAOYSA-N 2 0 281.444 1.694 10 0 CDAERP CC(C)C[NH2+]Cc1nc(COCC[NH+](C)C)cs1 ZINC000052669402 519748393 /nfs/dbraw/zinc/74/83/93/519748393.db2.gz CYCWMHZUZUDVSH-UHFFFAOYSA-N 2 0 271.430 1.967 10 0 CDAERP CC[NH2+]CC1(C[N@H+](CC)CCOC)CCOCC1 ZINC000052183280 519912478 /nfs/dbraw/zinc/91/24/78/519912478.db2.gz OEVMBUPYLQSDJL-UHFFFAOYSA-N 2 0 258.406 1.361 10 0 CDAERP CCC[NH2+]CCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000236794296 519915436 /nfs/dbraw/zinc/91/54/36/519915436.db2.gz PIISRGHGDNPZBG-AGIUHOORSA-N 2 0 253.390 1.023 10 0 CDAERP CC[NH2+]CCC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000061296975 519916263 /nfs/dbraw/zinc/91/62/63/519916263.db2.gz FQNFNINZYZANCB-ZDUSSCGKSA-N 2 0 255.406 1.224 10 0 CDAERP CCC[NH2+]C[C@@H](CC)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062973229 519920983 /nfs/dbraw/zinc/92/09/83/519920983.db2.gz AGOPWEHACJRISC-CABCVRRESA-N 2 0 253.434 1.935 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@H](CN2CC[NH+](CC(C)C)CC2)O1 ZINC000055082803 519926751 /nfs/dbraw/zinc/92/67/51/519926751.db2.gz PFBSAKRCARYZFC-DLBZAZTESA-N 2 0 297.487 1.807 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)[C@@H]2CCSC2)O1 ZINC000052453586 519935848 /nfs/dbraw/zinc/93/58/48/519935848.db2.gz PSHJIQRUZSVRQN-MCIONIFRSA-N 2 0 272.458 1.971 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000061232437 519964950 /nfs/dbraw/zinc/96/49/50/519964950.db2.gz PISXXWDZORMLQR-GOEBONIOSA-N 2 0 289.423 1.623 10 0 CDAERP CC[NH2+]Cc1ccc(N2CCC[C@@H]2C[NH+](C)C)nc1 ZINC000061654216 519998330 /nfs/dbraw/zinc/99/83/30/519998330.db2.gz HBUOIJJBNMRBBB-CQSZACIVSA-N 2 0 262.401 1.722 10 0 CDAERP CC[NH2+][C@@](C)(C[C@H](C)N1CC[C@H]([NH+](CC)CC)C1)C(N)=O ZINC000068645626 520145442 /nfs/dbraw/zinc/14/54/42/520145442.db2.gz XQGZPGORIUNNID-DZKIICNBSA-N 2 0 298.475 1.035 10 0 CDAERP CCO[C@@H]1CCC[N@H+](CC2(C[NH2+]C)CCOCC2)C1 ZINC000052198148 520319338 /nfs/dbraw/zinc/31/93/38/520319338.db2.gz JRMVYYCIYZSCHG-CQSZACIVSA-N 2 0 270.417 1.504 10 0 CDAERP CCO[C@H](C[NH3+])CCN1CC[NH+](CC(C)C)CC1 ZINC000062741265 520516328 /nfs/dbraw/zinc/51/63/28/520516328.db2.gz UQUZXJQHMBBCLO-AWEZNQCLSA-N 2 0 257.422 1.014 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@@H]1CCC[C@H](C)[C@@H]1[NH3+] ZINC000055123409 520617120 /nfs/dbraw/zinc/61/71/20/520617120.db2.gz WIGKJZSKCJYOFW-MJBXVCDLSA-N 2 0 269.433 1.598 10 0 CDAERP CCC[C@@H](C)[NH2+]C[C@@H](C)N1CCN(CC[NH+](C)C)CC1 ZINC000061655336 520667350 /nfs/dbraw/zinc/66/73/50/520667350.db2.gz RNEOQJLUOFOTQD-HZPDHXFCSA-N 2 0 284.492 1.332 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@@H]2[C@H](C)CCC[C@@H]2[NH3+])CC1 ZINC000055140064 521551737 /nfs/dbraw/zinc/55/17/37/521551737.db2.gz DONPGZZTVCCOMI-VHDGCEQUSA-N 2 0 281.444 1.598 10 0 CDAERP CCC(CC)[N@H+](CCOC)CCN1CCC[NH2+]CC1 ZINC000061275538 521559481 /nfs/dbraw/zinc/55/94/81/521559481.db2.gz UNBVNPCWKYTMHG-UHFFFAOYSA-N 2 0 271.449 1.419 10 0 CDAERP CCS(=O)(=O)CC[NH2+]CCCC[N@H+](C)C(C)C ZINC000045700273 521642541 /nfs/dbraw/zinc/64/25/41/521642541.db2.gz YCQBVFCLCNMAGW-UHFFFAOYSA-N 2 0 264.435 1.131 10 0 CDAERP CCCN(CC[NH+](C)C)CC1(C[NH3+])CCOCC1 ZINC000052183231 521656384 /nfs/dbraw/zinc/65/63/84/521656384.db2.gz MZOCVOYXPLIRJR-UHFFFAOYSA-N 2 0 257.422 1.016 10 0 CDAERP CCC[N@H+](CCn1cc(C[NH2+]CC)nn1)C(C)C ZINC000052450398 521674637 /nfs/dbraw/zinc/67/46/37/521674637.db2.gz BKRLPRYFDOPEDN-UHFFFAOYSA-N 2 0 253.394 1.508 10 0 CDAERP CC[NH+]1CCN(C[C@H]2CC[C@@H](C[NH2+]C(C)(C)C)O2)CC1 ZINC000052422513 521686992 /nfs/dbraw/zinc/68/69/92/521686992.db2.gz LTJOZJKVKZKOOV-LSDHHAIUSA-N 2 0 283.460 1.560 10 0 CDAERP C[NH+](C)CCN1CC[NH+]([C@H]2CCCCCC[C@@H]2O)CC1 ZINC000061652734 521767336 /nfs/dbraw/zinc/76/73/36/521767336.db2.gz KITAACKFTOMJGX-HOTGVXAUSA-N 2 0 283.460 1.249 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1c1ccc(F)cc1C[NH3+] ZINC000061646072 521843815 /nfs/dbraw/zinc/84/38/15/521843815.db2.gz YXVHPVREVMKWSK-ZDUSSCGKSA-N 2 0 251.349 1.815 10 0 CDAERP C[NH2+]C(C)(C)C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000061318236 521937203 /nfs/dbraw/zinc/93/72/03/521937203.db2.gz XQHMUDKZBZFRGN-SWLSCSKDSA-N 2 0 269.433 1.611 10 0 CDAERP C[NH+](C)[C@@H]1CCN(CC[NH2+]CC2CCCCC2)C1 ZINC000062974059 522053071 /nfs/dbraw/zinc/05/30/71/522053071.db2.gz UFVMXKZPEIJHTK-OAHLLOKOSA-N 2 0 253.434 1.792 10 0 CDAERP C[NH2+]C[C@H](C)CN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000070199162 522071042 /nfs/dbraw/zinc/07/10/42/522071042.db2.gz IWZLRCITXGWDCV-GOEBONIOSA-N 2 0 261.413 1.831 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)CCC2CC[NH2+]CC2)CC1 ZINC000055078185 522108968 /nfs/dbraw/zinc/10/89/68/522108968.db2.gz HVIRQZPVFVHQGP-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP C[NH2+]Cc1cc(F)ccc1N1CCN(CC[NH+](C)C)CC1 ZINC000061646115 522114462 /nfs/dbraw/zinc/11/44/62/522114462.db2.gz SBQHODOFMQHAMF-UHFFFAOYSA-N 2 0 294.418 1.229 10 0 CDAERP C[NH2+]Cc1cccc(N2CC[NH+](CC(C)C)CC2)n1 ZINC000055082599 522127501 /nfs/dbraw/zinc/12/75/01/522127501.db2.gz ONDAVPOKVBDJAB-UHFFFAOYSA-N 2 0 262.401 1.579 10 0 CDAERP C[NH2+]Cc1ccccc1OCCN1CCC[C@@H]1C[NH+](C)C ZINC000061654437 522138943 /nfs/dbraw/zinc/13/89/43/522138943.db2.gz IAJKEMHNUSMAMF-MRXNPFEDSA-N 2 0 291.439 1.811 10 0 CDAERP C[NH2+][C@@H](C)C1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000068875137 522322168 /nfs/dbraw/zinc/32/21/68/522322168.db2.gz XGOFATKFOMRPRH-WPRPVWTQSA-N 2 0 254.296 1.230 10 0 CDAERP C[NH2+][C@@H]1CCCCC[C@@H]1CN1CC[C@H]([NH+](C)C)C1 ZINC000062970161 522377572 /nfs/dbraw/zinc/37/75/72/522377572.db2.gz PQWQIUCXMPSQCO-QLFBSQMISA-N 2 0 253.434 1.791 10 0 CDAERP C[NH2+][C@H](C)C1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000068875143 522439242 /nfs/dbraw/zinc/43/92/42/522439242.db2.gz XGOFATKFOMRPRH-SCZZXKLOSA-N 2 0 254.296 1.230 10 0 CDAERP C[NH2+][C@H]1CCCCC[C@H]1N1CCN(CC[NH+](C)C)CC1 ZINC000061643839 522490653 /nfs/dbraw/zinc/49/06/53/522490653.db2.gz PMQDEZULVFWOIV-JKSUJKDBSA-N 2 0 282.476 1.086 10 0 CDAERP COCC[N@H+](Cc1ccnc(C[NH3+])c1)[C@@H](C)COC ZINC000068750219 523767825 /nfs/dbraw/zinc/76/78/25/523767825.db2.gz VHXJZWUWASNYNQ-LBPRGKRZSA-N 2 0 267.373 1.024 10 0 CDAERP CN(C(=O)C1CCC(C[NH3+])CC1)[C@H]1CCC[N@H+](C)C1 ZINC000055160824 523790153 /nfs/dbraw/zinc/79/01/53/523790153.db2.gz CIYYBJKDSHCNID-RUXDESIVSA-N 2 0 267.417 1.304 10 0 CDAERP C[N@@H+]1CCCN(c2ccc(Cl)cc2C(N)=[NH2+])CC1 ZINC000052860010 523811490 /nfs/dbraw/zinc/81/14/90/523811490.db2.gz CPYVYOFYYAWHOL-UHFFFAOYSA-N 2 0 266.776 1.766 10 0 CDAERP C[NH+]1CCN(CC[NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC000069392380 523902954 /nfs/dbraw/zinc/90/29/54/523902954.db2.gz GZCCLCUZDGADFY-QWHCGFSZSA-N 2 0 293.377 1.945 10 0 CDAERP COCC[NH2+]CCCC[N@@H+]1CCC[C@H]1CN(C)C ZINC000061655163 523935769 /nfs/dbraw/zinc/93/57/69/523935769.db2.gz UQPWNKQTCDUQGS-AWEZNQCLSA-N 2 0 257.422 1.029 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)CCCCCC[NH3+])CC1 ZINC000055077946 523947806 /nfs/dbraw/zinc/94/78/06/523947806.db2.gz VZYXPBQZQQWXSX-AWEZNQCLSA-N 2 0 269.433 1.838 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C2(C[NH3+])CCSCC2)CC1 ZINC000055064434 523952744 /nfs/dbraw/zinc/95/27/44/523952744.db2.gz PEDLLFYPIVUAPI-ZDUSSCGKSA-N 2 0 271.474 1.627 10 0 CDAERP CC[C@H](C)[NH+]1CCN(c2ccnc(C(N)=[NH2+])c2)CC1 ZINC000061814392 523960860 /nfs/dbraw/zinc/96/08/60/523960860.db2.gz MURZBZULNKKWMO-NSHDSACASA-N 2 0 261.373 1.286 10 0 CDAERP C[N@@H+]1CC[C@@H](NC(=O)CCC2CCC([NH3+])CC2)C1 ZINC000055139853 523963507 /nfs/dbraw/zinc/96/35/07/523963507.db2.gz GTFSPMZCIZATAE-WXRRBKDZSA-N 2 0 253.390 1.104 10 0 CDAERP C[NH+](C)C(C)(C)CNC(=O)C[C@H]1CCC[C@H]([NH3+])C1 ZINC000055141735 524032404 /nfs/dbraw/zinc/03/24/04/524032404.db2.gz GPFJGXKDNAMUMH-RYUDHWBXSA-N 2 0 255.406 1.350 10 0 CDAERP C[C@@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)NCC(C)(C)[NH+](C)C ZINC000055141730 524301514 /nfs/dbraw/zinc/30/15/14/524301514.db2.gz KFUWHWOURRGMIM-IJLUTSLNSA-N 2 0 255.406 1.206 10 0 CDAERP C[C@H](CN1CCOCC1)N1Cc2ccccc2C1=[NH2+] ZINC000049509110 524352639 /nfs/dbraw/zinc/35/26/39/524352639.db2.gz BGAOCBPOPURQAQ-GFCCVEGCSA-N 2 0 259.353 1.548 10 0 CDAERP C[C@H](C[NH2+]C1CC1)CN1CC[NH+](C(C)(C)C)CC1 ZINC000052571605 524478838 /nfs/dbraw/zinc/47/88/38/524478838.db2.gz YYMRCQZIMOYOAU-CYBMUJFWSA-N 2 0 253.434 1.791 10 0 CDAERP C[C@H]([NH3+])c1cc(F)ccc1N1CCN(CC[NH+](C)C)CC1 ZINC000061644867 524861365 /nfs/dbraw/zinc/86/13/65/524861365.db2.gz QLCCGYOSMBKNLF-ZDUSSCGKSA-N 2 0 294.418 1.529 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCC[C@@H]1C(=O)N1CCC([NH+](C)C)CC1 ZINC000055128210 525088125 /nfs/dbraw/zinc/08/81/25/525088125.db2.gz MSGMCAPGJQPLLK-XBFCOCLRSA-N 2 0 267.417 1.303 10 0 CDAERP CSC1(C[NH2+]Cc2nccn2C)CC[NH+](C)CC1 ZINC000353217079 525334503 /nfs/dbraw/zinc/33/45/03/525334503.db2.gz YKRIJYZBPVLPLT-UHFFFAOYSA-N 2 0 268.430 1.337 10 0 CDAERP COc1ccc([C@H](O)C[NH2+]CCCC[NH+](C)C)cc1 ZINC000045697664 525376643 /nfs/dbraw/zinc/37/66/43/525376643.db2.gz CYRXNNHOSUDCCZ-OAHLLOKOSA-N 2 0 266.385 1.660 10 0 CDAERP C[C@H](C(=O)NCCC[N@@H+]1CCCC[C@H]1C)C1C[NH2+]C1 ZINC000163822880 526046181 /nfs/dbraw/zinc/04/61/81/526046181.db2.gz OHZOQRKCJIBPEG-OLZOCXBDSA-N 2 0 267.417 1.223 10 0 CDAERP c1cn(CC2CC[NH+](CCC[NH+]3CCCC3)CC2)nn1 ZINC000163410612 526529750 /nfs/dbraw/zinc/52/97/50/526529750.db2.gz NHDQXLKIZUCLGJ-UHFFFAOYSA-N 2 0 277.416 1.476 10 0 CDAERP Cc1oc(C[NH3+])cc1CN(C)C1CC[NH+](C)CC1 ZINC000052419862 526769123 /nfs/dbraw/zinc/76/91/23/526769123.db2.gz XOPIDMNFFRNHGC-UHFFFAOYSA-N 2 0 251.374 1.573 10 0 CDAERP [NH3+]CCCC[NH+]1CCN(Cc2ccc(F)cc2F)CC1 ZINC000050872126 527175643 /nfs/dbraw/zinc/17/56/43/527175643.db2.gz IPJIMRLZHBHXRN-UHFFFAOYSA-N 2 0 283.366 1.821 10 0 CDAERP [NH3+]C[C@@H]1CC[C@@H](C[NH+]2CCN(c3ccccc3)CC2)O1 ZINC000052417322 527217595 /nfs/dbraw/zinc/21/75/95/527217595.db2.gz CRKVLSJYCZBQLA-HOTGVXAUSA-N 2 0 275.396 1.315 10 0 CDAERP COCCOC[C@@H]1CC[N@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000414708727 536533902 /nfs/dbraw/zinc/53/39/02/536533902.db2.gz PEJOYSXKVYRHID-KGLIPLIRSA-N 2 0 258.406 1.345 10 0 CDAERP CC(C)C[C@@H](C[NH3+])NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418449324 535275287 /nfs/dbraw/zinc/27/52/87/535275287.db2.gz SPYQSXAYJFUBGB-WJLOJVBCSA-N 2 0 282.432 1.284 10 0 CDAERP CC[NH2+]CC1CC[NH+](CCn2cc(C)cn2)CC1 ZINC000261591039 535457708 /nfs/dbraw/zinc/45/77/08/535457708.db2.gz XKGRAFJMQYYRQI-UHFFFAOYSA-N 2 0 250.390 1.513 10 0 CDAERP CC[NH+](CC)[C@@H](C)CNC(=O)NCCC[NH+]1CCCCC1 ZINC000193202945 535644596 /nfs/dbraw/zinc/64/45/96/535644596.db2.gz RHPSTFRGEVLIKH-HNNXBMFYSA-N 2 0 298.475 1.892 10 0 CDAERP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261679482 536403533 /nfs/dbraw/zinc/40/35/33/536403533.db2.gz GVAVMWHJKRHFCM-QLFBSQMISA-N 2 0 281.444 1.694 10 0 CDAERP C[N@H+](C[C@@H](O)C1CCCCC1)C[C@H]1CC[NH+](C)C1 ZINC000252831892 536417407 /nfs/dbraw/zinc/41/74/07/536417407.db2.gz MXQKCTKVDLUXJL-DZGCQCFKSA-N 2 0 254.418 1.811 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCc1sccc1C ZINC000423017490 536594961 /nfs/dbraw/zinc/59/49/61/536594961.db2.gz OYBVIZCUBXPJIX-GFCCVEGCSA-N 2 0 256.415 1.943 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CC1CCC(OC)CC1 ZINC000422839585 536595117 /nfs/dbraw/zinc/59/51/17/536595117.db2.gz QTLXLQFQEJTQIY-ROKHWSDSSA-N 2 0 258.406 1.535 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1cccc(N(C)C)c1 ZINC000422721076 536596850 /nfs/dbraw/zinc/59/68/50/536596850.db2.gz UJUCUEXGBHUUHC-CQSZACIVSA-N 2 0 265.401 1.596 10 0 CDAERP COc1cc(C)nc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000252858135 536693091 /nfs/dbraw/zinc/69/30/91/536693091.db2.gz LSAAIROLWYIYFT-RCBQFDQVSA-N 2 0 275.396 1.958 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](C)N1CCCC[C@H]1C ZINC000422869755 536850916 /nfs/dbraw/zinc/85/09/16/536850916.db2.gz XXNBHYXFSGDKIK-KFWWJZLASA-N 2 0 271.449 1.593 10 0 CDAERP Cc1noc(CC[NH2+][C@H](C)C2CC[NH+](C)CC2)n1 ZINC000089518670 538348606 /nfs/dbraw/zinc/34/86/06/538348606.db2.gz XPFBFHXOWDRQMP-SNVBAGLBSA-N 2 0 252.362 1.240 10 0 CDAERP Cc1nn(C)c2sc([C@@H]3[NH2+]C[C@H](C)C[C@@H]3N)cc12 ZINC000757212914 574906594 /nfs/dbraw/zinc/90/65/94/574906594.db2.gz KDUQLAKXLPXIKL-INNHCVQGSA-N 2 0 264.398 1.941 10 0 CDAERP C[NH2+]CCCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000124620481 1175336305 /nfs/dbraw/zinc/33/63/05/1175336305.db2.gz QCOVTTFSVZZSNT-IHRRRGAJSA-N 2 0 267.417 1.365 10 0 CDAERP C[NH+](C)C1(CNC(=O)[C@H]2CCCC[C@H]2[NH3+])CCCC1 ZINC000125657310 1175403085 /nfs/dbraw/zinc/40/30/85/1175403085.db2.gz YKELAEQGBNUDIS-QWHCGFSZSA-N 2 0 267.417 1.495 10 0 CDAERP C(C[NH+]1CCCC1)N[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925510015 617407228 /nfs/dbraw/zinc/40/72/28/617407228.db2.gz SJSLEZRYENNUKA-JKSUJKDBSA-N 2 0 265.445 1.840 10 0 CDAERP CC(C)C(=O)NCC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925510162 617409856 /nfs/dbraw/zinc/40/98/56/617409856.db2.gz SZKUCNASDNNASS-NEPJUHHUSA-N 2 0 255.406 1.254 10 0 CDAERP Cn1cc(N2CCC[C@H]([NH2+][C@@H]3C[C@@H]([NH3+])C34CCC4)C2)cn1 ZINC000925517278 617426787 /nfs/dbraw/zinc/42/67/87/617426787.db2.gz NJSLDHPADCHDPS-NWANDNLSSA-N 2 0 289.427 1.248 10 0 CDAERP COCCOCCCC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925541335 617483510 /nfs/dbraw/zinc/48/35/10/617483510.db2.gz KXBWCXXDOHPYMM-KBPBESRZSA-N 2 0 272.433 1.925 10 0 CDAERP C(COC[C@H]1CCOC1)[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925567910 617516230 /nfs/dbraw/zinc/51/62/30/617516230.db2.gz RQDMUURZTYVKIG-BHYGNILZSA-N 2 0 296.455 1.797 10 0 CDAERP CC[C@H](C[C@@](C)(O)CC)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000924577986 617531952 /nfs/dbraw/zinc/53/19/52/617531952.db2.gz KNNGKHPIJQKQLS-CVEARBPZSA-N 2 0 285.476 1.543 10 0 CDAERP CN1C[C@@H]2C[N@@H+]([C@@H]3C[C@H]4CCCC[C@H]4NC3=O)C[C@]2(C)C1 ZINC000933733326 617599117 /nfs/dbraw/zinc/59/91/17/617599117.db2.gz IGKSKICZJKXOPF-IETPZCKNSA-N 2 0 291.439 1.317 10 0 CDAERP C[C@@H]1C[C@H](NC[C@@H]2C[NH2+]CCC2(F)F)CC[N@@H+]1C ZINC000925786117 617708922 /nfs/dbraw/zinc/70/89/22/617708922.db2.gz VVFZDHQFBDJVAS-GRYCIOLGSA-N 2 0 261.360 1.304 10 0 CDAERP C1CCC([C@@H]2C[NH2+]CC[C@@H]2N[C@H]2CCC[NH2+]C2)C1 ZINC000925700835 617748211 /nfs/dbraw/zinc/74/82/11/617748211.db2.gz WUEVTRSYQDEELI-KKUMJFAQSA-N 2 0 251.418 1.496 10 0 CDAERP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc[nH]c3)C2)[C@@H]1C(C)C ZINC000888097851 617761334 /nfs/dbraw/zinc/76/13/34/617761334.db2.gz QKZASPXTVVSTCG-WCXIOVBPSA-N 2 0 291.439 1.974 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@@H]2CC[C@@H]2C2CCC2)CC1 ZINC000925816917 617772290 /nfs/dbraw/zinc/77/22/90/617772290.db2.gz LNULJGRXEUXVSV-HUUCEWRRSA-N 2 0 251.418 1.578 10 0 CDAERP C[C@@H](CC1CC1)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925842963 617875361 /nfs/dbraw/zinc/87/53/61/617875361.db2.gz CRKJDLPTHCIWPI-AWEZNQCLSA-N 2 0 253.434 1.840 10 0 CDAERP C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccn1 ZINC000925854829 617892529 /nfs/dbraw/zinc/89/25/29/617892529.db2.gz SNEBFSLKGPVWJX-QWHCGFSZSA-N 2 0 289.379 1.418 10 0 CDAERP [NH3+][C@H]1CCC[C@H]([NH2+][C@H]2c3ccccc3CC[C@H]2O)C1 ZINC000925890313 617981394 /nfs/dbraw/zinc/98/13/94/617981394.db2.gz OEVIDUUBHXJVOE-UGQVUOCMSA-N 2 0 260.381 1.894 10 0 CDAERP COC(=O)CC[C@@H]1CCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923425223 618330868 /nfs/dbraw/zinc/33/08/68/618330868.db2.gz KCLOVCHQNOIMOH-UONOGXRCSA-N 2 0 296.411 1.030 10 0 CDAERP CCSCC[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923454110 618339938 /nfs/dbraw/zinc/33/99/38/618339938.db2.gz OOZZFCXMZOHCHF-LBPRGKRZSA-N 2 0 258.431 1.569 10 0 CDAERP COc1ccccc1[C@H](O)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000817891331 618485213 /nfs/dbraw/zinc/48/52/13/618485213.db2.gz AAXPWEHYMUTLIA-GXTWGEPZSA-N 2 0 266.385 1.836 10 0 CDAERP CC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)OCCCO1 ZINC000817926566 618490561 /nfs/dbraw/zinc/49/05/61/618490561.db2.gz NGYUHKPRQWHYHB-BFHYXJOUSA-N 2 0 268.401 1.650 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)Nc1cccc(OCC[NH3+])c1 ZINC000841288898 618685258 /nfs/dbraw/zinc/68/52/58/618685258.db2.gz URXKQOOKDHBHQP-ZDUSSCGKSA-N 2 0 292.383 1.240 10 0 CDAERP C[C@@H]1[C@@H]([NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)CO[C@H]1C ZINC000925042092 618826772 /nfs/dbraw/zinc/82/67/72/618826772.db2.gz RRXJRUWHGFNHCT-YXWQFLTLSA-N 2 0 281.444 1.168 10 0 CDAERP Cc1ccnc(N)c1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000894984160 619183979 /nfs/dbraw/zinc/18/39/79/619183979.db2.gz IOUQUFOCWWLCBY-CYBMUJFWSA-N 2 0 262.401 1.794 10 0 CDAERP C[C@@H](CNC(=O)[C@@]12CC[N@H+](C1)CCC2)C[NH+]1CCCCC1 ZINC000895802668 619852434 /nfs/dbraw/zinc/85/24/34/619852434.db2.gz NUUOGHRTAFBGLA-RDJZCZTQSA-N 2 0 293.455 1.711 10 0 CDAERP CN(C(=O)[C@@H]1CC[NH+]1C(C)(C)C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000896989275 620339231 /nfs/dbraw/zinc/33/92/31/620339231.db2.gz QDGZKMGZDAPHNI-KBPBESRZSA-N 2 0 279.428 1.554 10 0 CDAERP CC[C@H]1CCN(C(=[NH2+])NC[C@H]2CCC[N@@H+]2CC)C1 ZINC000864452461 620922272 /nfs/dbraw/zinc/92/22/72/620922272.db2.gz QUHGSTMUMRXTKV-QWHCGFSZSA-N 2 0 252.406 1.727 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)NCCC[NH2+]C2CCCCC2)CC[N@@H+]1C ZINC000925305694 620970516 /nfs/dbraw/zinc/97/05/16/620970516.db2.gz DNXWDNMSTQRMTQ-HIFRSBDPSA-N 2 0 296.459 1.691 10 0 CDAERP C1CC1[C@@H]1COC[C@@H]1[NH2+]C1CCN(C2CC2)CC1 ZINC000898380745 621530278 /nfs/dbraw/zinc/53/02/78/621530278.db2.gz UQXYVVGVRDNBLY-GJZGRUSLSA-N 2 0 250.386 1.628 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000925322300 621534075 /nfs/dbraw/zinc/53/40/75/621534075.db2.gz PBJHPGNPVCNZLG-HIFRSBDPSA-N 2 0 296.459 1.595 10 0 CDAERP C[NH+](C)CC[C@@H](N[C@H]1C[N@@H+]2C[C@@H]1CCC2)c1cccnc1 ZINC000926901710 621583623 /nfs/dbraw/zinc/58/36/23/621583623.db2.gz SSODJAIULQRNHC-BBWFWOEESA-N 2 0 288.439 1.758 10 0 CDAERP Cc1cc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)nn1C ZINC000926916421 621597791 /nfs/dbraw/zinc/59/77/91/621597791.db2.gz XALVFMLDHACLGL-WCQYABFASA-N 2 0 250.390 1.343 10 0 CDAERP CCO[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)C[NH+](C)C ZINC000926964235 621635108 /nfs/dbraw/zinc/63/51/08/621635108.db2.gz WSUSXNVBBFPHDS-KLHDSHLOSA-N 2 0 283.460 1.416 10 0 CDAERP C[C@@H](NC(=[NH2+])NCC[N@@H+]1CCCC[C@H]1C)C1CC1 ZINC000899266932 622128087 /nfs/dbraw/zinc/12/80/87/622128087.db2.gz ZFWQEWLSKMHHJO-VXGBXAGGSA-N 2 0 252.406 1.773 10 0 CDAERP CC[NH+](CC)C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000900889032 623610767 /nfs/dbraw/zinc/61/07/67/623610767.db2.gz ZCLHTSRAXAUWTP-CQSZACIVSA-N 2 0 279.428 1.273 10 0 CDAERP Cc1cccn2cc(CCNC(=O)C34CC[NH+](CC3)C4)nc12 ZINC000900923238 623627350 /nfs/dbraw/zinc/62/73/50/623627350.db2.gz MZUAUOJAFPCYFS-UHFFFAOYSA-N 2 0 298.390 1.397 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]C[C@@]2(OC)CCSC2)[C@H](C)C1 ZINC000903311447 625969941 /nfs/dbraw/zinc/96/99/41/625969941.db2.gz UEXVRZGJSCBBGO-RDBSUJKOSA-N 2 0 272.458 1.828 10 0 CDAERP CCCC[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000903427374 625989116 /nfs/dbraw/zinc/98/91/16/625989116.db2.gz XQPWEAUCXCKXRV-HZSPNIEDSA-N 2 0 288.457 1.403 10 0 CDAERP COCCOC[C@H]1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903439748 625992560 /nfs/dbraw/zinc/99/25/60/625992560.db2.gz NQNCIEXFNSMHAI-RDBSUJKOSA-N 2 0 256.390 1.099 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCNC[C@H]2c2ccccc2)C1 ZINC000903458696 625994381 /nfs/dbraw/zinc/99/43/81/625994381.db2.gz HLEHSVBYYKIXPI-IMJJTQAJSA-N 2 0 259.397 1.760 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CCc2nc(C(C)(C)C)ncc2C1 ZINC000903464479 625995275 /nfs/dbraw/zinc/99/52/75/625995275.db2.gz OYWVEAMDAHOPLC-OLZOCXBDSA-N 2 0 288.439 1.988 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCOCC3(CCOCC3)C2)C1 ZINC000903456704 626002173 /nfs/dbraw/zinc/00/21/73/626002173.db2.gz JGWBKGKBFFICMN-UONOGXRCSA-N 2 0 268.401 1.243 10 0 CDAERP Cc1nc([C@H]2CC[N@H+](CCCC3CC[NH2+]CC3)C2)no1 ZINC000903490899 626010729 /nfs/dbraw/zinc/01/07/29/626010729.db2.gz MEBMRRDQYDXMLF-AWEZNQCLSA-N 2 0 278.400 1.947 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1oc(C)nc1C)C2 ZINC000903494902 626011279 /nfs/dbraw/zinc/01/12/79/626011279.db2.gz PVYOYRPKJKYLMY-ZOWXZIJZSA-N 2 0 293.367 1.004 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C[C@@H]1CC(C)(C)CO1)C2 ZINC000903494692 626011402 /nfs/dbraw/zinc/01/14/02/626011402.db2.gz KWGJLCNLNBWOGN-ZWUHOBOKSA-N 2 0 296.411 1.014 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)NCc2ccccc2F)C[C@H]1CC[NH3+] ZINC000903496098 626011842 /nfs/dbraw/zinc/01/18/42/626011842.db2.gz FMEMDLCJXUGSTC-TZMCWYRMSA-N 2 0 293.386 1.359 10 0 CDAERP c1csc(C[C@H]2CC[N@@H+](C[C@H]3CC[NH2+]C3)C2)n1 ZINC000903831284 626107515 /nfs/dbraw/zinc/10/75/15/626107515.db2.gz GQNILCRXLVDBNO-NEPJUHHUSA-N 2 0 251.399 1.617 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCC[C@@H](C)CC2)cnn1C ZINC000903890183 626124124 /nfs/dbraw/zinc/12/41/24/626124124.db2.gz YYSLVHOCIQRNMW-HIFRSBDPSA-N 2 0 278.444 1.968 10 0 CDAERP CC[N@H+](C[C@H](C[NH3+])Cc1cnn(C)c1C)C[C@@H]1CCOC1 ZINC000903883978 626132603 /nfs/dbraw/zinc/13/26/03/626132603.db2.gz NOLTWWVJRZZZCL-GJZGRUSLSA-N 2 0 294.443 1.204 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[NH+]2CCC(C)(C)CC2)cnn1C ZINC000903903787 626140024 /nfs/dbraw/zinc/14/00/24/626140024.db2.gz NEMDIAHJIWMBMJ-CQSZACIVSA-N 2 0 278.444 1.968 10 0 CDAERP COC(=O)[C@H]1C[C@H](OC)CC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903913851 626145984 /nfs/dbraw/zinc/14/59/84/626145984.db2.gz DYTSIBSIYJXQJW-ARQSVGKCSA-N 2 0 296.411 1.169 10 0 CDAERP c1nnn([C@@H]2CCC[NH2+]C2)c1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000903929999 626150298 /nfs/dbraw/zinc/15/02/98/626150298.db2.gz PSRBPRUNTJJUCZ-UXOAXIEHSA-N 2 0 275.400 1.481 10 0 CDAERP Cn1c(=O)ccc2c1CCC[C@H]2[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903932600 626152237 /nfs/dbraw/zinc/15/22/37/626152237.db2.gz SPMVLJZMRWWZEL-MWLCHTKSSA-N 2 0 285.338 1.335 10 0 CDAERP [NH3+][C@H](CC(F)F)CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000903932351 626152435 /nfs/dbraw/zinc/15/24/35/626152435.db2.gz BMJPTOKKUJASPX-QWHCGFSZSA-N 2 0 275.387 1.681 10 0 CDAERP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000903932554 626152558 /nfs/dbraw/zinc/15/25/58/626152558.db2.gz DQJMHOHCGCRART-MRXNPFEDSA-N 3 0 261.413 1.795 10 0 CDAERP C[C@@H]1CN(CC23CC(C2)C[NH2+]3)CCN1c1cc[nH+]cc1 ZINC000903937718 626155872 /nfs/dbraw/zinc/15/58/72/626155872.db2.gz QHBCPCULOCACHX-VQCLRJIVSA-N 2 0 272.396 1.344 10 0 CDAERP COC(=O)[C@]12CCC[C@H]1C[N@H+](C[C@@H]([NH3+])CC(C)C)C2 ZINC000903939778 626161090 /nfs/dbraw/zinc/16/10/90/626161090.db2.gz MGVZBTSIMBOONE-YDHLFZDLSA-N 2 0 268.401 1.635 10 0 CDAERP Nc1cc[nH+]c(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000903953837 626166102 /nfs/dbraw/zinc/16/61/02/626166102.db2.gz KUDSQQIZTAUBEI-RRFJBIMHSA-N 2 0 260.385 1.674 10 0 CDAERP Cc1cccn2c(C[NH2+]CC[C@@H]3C[NH2+]C[C@H]3C)cnc12 ZINC000903974447 626169128 /nfs/dbraw/zinc/16/91/28/626169128.db2.gz NAZLKEWIDJQLQD-ZIAGYGMSSA-N 2 0 272.396 1.978 10 0 CDAERP [NH3+]CC(=O)N1CCC[C@@H](C[NH2+]C2CCC=CCC2)C1 ZINC000903965032 626171938 /nfs/dbraw/zinc/17/19/38/626171938.db2.gz VOZLKSREEYFHKE-ZDUSSCGKSA-N 2 0 265.401 1.272 10 0 CDAERP COc1cccc(C[C@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000903967482 626172162 /nfs/dbraw/zinc/17/21/62/626172162.db2.gz JYLBLSQBESXKMF-AGIUHOORSA-N 2 0 263.385 1.466 10 0 CDAERP CC(C)C[C@H]([NH3+])CN[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903969274 626172692 /nfs/dbraw/zinc/17/26/92/626172692.db2.gz FAPJIMOYEKPVIH-KBPBESRZSA-N 2 0 269.433 1.108 10 0 CDAERP C[C@@H](CNC(=[NH2+])NC[C@@H]1CCCS1)[NH+]1CCCCC1 ZINC000905041622 626381044 /nfs/dbraw/zinc/38/10/44/626381044.db2.gz JNBQUAYNVXNFKC-STQMWFEESA-N 2 0 284.473 1.870 10 0 CDAERP C[N@H+](CCNC(=[NH2+])NC[C@H]1CCCS1)C1CCCC1 ZINC000905043501 626382475 /nfs/dbraw/zinc/38/24/75/626382475.db2.gz VVPICYYDTJZYBA-CYBMUJFWSA-N 2 0 284.473 1.870 10 0 CDAERP [NH3+]Cc1cccc(-c2nc(CC3CC[NH2+]CC3)no2)c1 ZINC000905319164 626746721 /nfs/dbraw/zinc/74/67/21/626746721.db2.gz TYJLEANCGWIPJU-UHFFFAOYSA-N 2 0 272.352 1.737 10 0 CDAERP C[NH+](C)[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000907746218 627828128 /nfs/dbraw/zinc/82/81/28/627828128.db2.gz LDVCBSJEHQSPDD-CYBMUJFWSA-N 2 0 265.401 1.025 10 0 CDAERP C[N@@H+]1CCC[C@@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000908423087 628191988 /nfs/dbraw/zinc/19/19/88/628191988.db2.gz KJVNYAJILGDJCV-OAHLLOKOSA-N 2 0 277.412 1.027 10 0 CDAERP C[NH+](C)CC1(C(=O)N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)CC1 ZINC000913275988 630428577 /nfs/dbraw/zinc/42/85/77/630428577.db2.gz WPQKMBPCTLAGQH-GASCZTMLSA-N 2 0 279.428 1.128 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH+](C)C)CC1 ZINC000913399266 630467179 /nfs/dbraw/zinc/46/71/79/630467179.db2.gz YQTYWOFXEJNXDC-AWEZNQCLSA-N 2 0 281.444 1.804 10 0 CDAERP O[C@@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)C1(O)CCCC1 ZINC000929698116 630708859 /nfs/dbraw/zinc/70/88/59/630708859.db2.gz YNESBXGPLRRXKI-GJZGRUSLSA-N 2 0 282.428 1.070 10 0 CDAERP CC[NH+](CC)CCCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000913852080 630839568 /nfs/dbraw/zinc/83/95/68/630839568.db2.gz FBCCJEHQXWAFJL-OLZOCXBDSA-N 2 0 270.421 1.110 10 0 CDAERP CC(C)[NH+](CCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C)C(C)C ZINC000913858835 630841592 /nfs/dbraw/zinc/84/15/92/630841592.db2.gz CMZWPGJEKJEQOU-UONOGXRCSA-N 2 0 284.448 1.497 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000914081128 631016762 /nfs/dbraw/zinc/01/67/62/631016762.db2.gz PYYJHUQXYCRXDD-HZSPNIEDSA-N 2 0 282.432 1.253 10 0 CDAERP Cc1ccc(NCCNC(=O)N[C@@H]2CCC[N@@H+](C)C2)nc1 ZINC000914315114 631336399 /nfs/dbraw/zinc/33/63/99/631336399.db2.gz LAKJVKBYGQNGQM-CYBMUJFWSA-N 2 0 291.399 1.195 10 0 CDAERP FCCn1cc(CNCCC[NH+]2CCCCC2)cn1 ZINC000921509817 633040336 /nfs/dbraw/zinc/04/03/36/633040336.db2.gz SXKCXQNKEBRIPU-UHFFFAOYSA-N 2 0 268.380 1.818 10 0 CDAERP O=C(N[C@@H](C[NH2+]CCF)C1CC1)C12CCC[NH+]1CCC2 ZINC001670490109 1158619019 /nfs/dbraw/zinc/61/90/19/1158619019.db2.gz HAKBQJUFKAIRGU-ZDUSSCGKSA-N 2 0 283.391 1.069 10 0 CDAERP C([C@@H]1C[C@H]2COC[C@H]2O1)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001772537132 1158797871 /nfs/dbraw/zinc/79/78/71/1158797871.db2.gz UNZXFQJKVSJCJB-SOUVJXGZSA-N 2 0 280.412 1.256 10 0 CDAERP CCC[N@@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001266760695 1158806283 /nfs/dbraw/zinc/80/62/83/1158806283.db2.gz KXTMDAADGRQAML-CYBMUJFWSA-N 2 0 255.406 1.176 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]C/C=C/Cl ZINC001266993997 1159071796 /nfs/dbraw/zinc/07/17/96/1159071796.db2.gz HPRDZVAGEWEBTC-MVIFTORASA-N 2 0 261.797 1.173 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H]([N@H+](C)CC2CC2)C1 ZINC001690819332 1158779146 /nfs/dbraw/zinc/77/91/46/1158779146.db2.gz YOWHDIPLZCCUBE-CQSZACIVSA-N 2 0 267.417 1.271 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001691111592 1158913819 /nfs/dbraw/zinc/91/38/19/1158913819.db2.gz NSGMVDHUYHLUAD-IYBDPMFKSA-N 2 0 293.455 1.923 10 0 CDAERP CCC(CC)C[NH2+]CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001481302159 1159646116 /nfs/dbraw/zinc/64/61/16/1159646116.db2.gz IWFCHYHZIHHSJM-OAHLLOKOSA-N 2 0 283.460 1.812 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1cc(C)no1)[NH+](C)C ZINC001482889441 1160641210 /nfs/dbraw/zinc/64/12/10/1160641210.db2.gz CFQGBNKDHHZYDM-RISCZKNCSA-N 2 0 296.415 1.308 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]C/C=C/Cl ZINC001483010459 1160664847 /nfs/dbraw/zinc/66/48/47/1160664847.db2.gz LPHZQBPIJFQDQX-BZQLLAOWSA-N 2 0 299.846 1.874 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[C@@H]3C[NH+](C)C[C@H]23)C1 ZINC001649285489 1160729966 /nfs/dbraw/zinc/72/99/66/1160729966.db2.gz ALPYLUADFRYLES-CBBWQLFWSA-N 2 0 294.443 1.110 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@H](C[NH2+]CCCF)C1CCCC1 ZINC001733386032 1161328926 /nfs/dbraw/zinc/32/89/26/1161328926.db2.gz ABDOSBJBOCBXKT-OAHLLOKOSA-N 2 0 299.434 1.706 10 0 CDAERP CNC(=O)NC[C@@H]1CCCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000866685237 1164807830 /nfs/dbraw/zinc/80/78/30/1164807830.db2.gz GDFCBNFGBLZDKS-KBPBESRZSA-N 2 0 282.432 1.160 10 0 CDAERP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000868625676 1164972151 /nfs/dbraw/zinc/97/21/51/1164972151.db2.gz AZTXTMIEKVMOBF-RBSFLKMASA-N 2 0 296.459 1.451 10 0 CDAERP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000872294395 1165411484 /nfs/dbraw/zinc/41/14/84/1165411484.db2.gz YNBJJENPIKYVQH-NJURLYQPSA-N 2 0 277.412 1.057 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)NCCC[NH+](C)C)C1 ZINC001618487290 1165633710 /nfs/dbraw/zinc/63/37/10/1165633710.db2.gz ZCIDYHFQCKRKBJ-CYBMUJFWSA-N 2 0 255.406 1.175 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC001638844259 1166878596 /nfs/dbraw/zinc/87/85/96/1166878596.db2.gz AOPOKDZODRCAOK-LBPRGKRZSA-N 2 0 255.406 1.127 10 0 CDAERP CC(C)[C@H]1CN(C(=O)[C@H](C)CC[NH+](C)C)CC[N@@H+]1C ZINC001642922815 1167211318 /nfs/dbraw/zinc/21/13/18/1167211318.db2.gz OPQWCGLNZIUIGC-ZIAGYGMSSA-N 2 0 269.433 1.373 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](C[NH2+]CCF)C2)CC[N@@H+]1C ZINC001566893772 1168458963 /nfs/dbraw/zinc/45/89/63/1168458963.db2.gz OPDYZJACVSEUAH-SOUVJXGZSA-N 2 0 299.434 1.514 10 0 CDAERP C[N@H+](CC(=O)N1CC[C@H](C[NH2+]C/C=C\Cl)C1)C1CCC1 ZINC001567128893 1168587959 /nfs/dbraw/zinc/58/79/59/1168587959.db2.gz XCVWOOCHZHNCJD-RBWDJNPFSA-N 2 0 299.846 1.661 10 0 CDAERP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)C[NH2+]C/C=C\Cl ZINC001568176447 1169162371 /nfs/dbraw/zinc/16/23/71/1169162371.db2.gz UUGMTCWIHRBVHA-VVEJJEBESA-N 2 0 287.835 1.565 10 0 CDAERP c1ccc([C@@H](CNc2cc[nH+]cc2)N2CCOCC2)cc1 ZINC001649710789 1169300106 /nfs/dbraw/zinc/30/01/06/1169300106.db2.gz VXRSJCPEUGGEFJ-QGZVFWFLSA-N 2 0 283.375 1.989 10 0 CDAERP CC(C)[NH2+][C@@H]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001656341853 1171810547 /nfs/dbraw/zinc/81/05/47/1171810547.db2.gz LNHXSXHKQIVYAV-QWHCGFSZSA-N 2 0 255.406 1.221 10 0 CDAERP CC[C@@H](C)C[NH2+]CCN(CC)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001668640387 1173434265 /nfs/dbraw/zinc/43/42/65/1173434265.db2.gz BMZDTRHXZMPFLW-KGLIPLIRSA-N 2 0 269.433 1.422 10 0 CDAERP C[C@@H](CCC[NH2+]CC1CCC1)NC(=O)C[NH+]1CCCC1 ZINC001676018101 1174173756 /nfs/dbraw/zinc/17/37/56/1174173756.db2.gz FYMCPFMXYUKOLT-AWEZNQCLSA-N 2 0 281.444 1.757 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@H](CNC(=O)Cc2[nH]cnc2C)C1 ZINC001688949813 1175076098 /nfs/dbraw/zinc/07/60/98/1175076098.db2.gz KYMWVTALNHMBOZ-HDJSIYSDSA-N 2 0 290.411 1.711 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001690431520 1175470865 /nfs/dbraw/zinc/47/08/65/1175470865.db2.gz KWWHSJRQXSRRJY-HNNXBMFYSA-N 2 0 283.460 1.957 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001690836082 1175586641 /nfs/dbraw/zinc/58/66/41/1175586641.db2.gz UJEUHALGFIHNRI-KGLIPLIRSA-N 2 0 267.417 1.531 10 0 CDAERP CC[C@H](C)C[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001699187460 1176131880 /nfs/dbraw/zinc/13/18/80/1176131880.db2.gz RKQJADKSVPLSJX-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H](C[NH2+]CCC1CCCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001699431468 1176392214 /nfs/dbraw/zinc/39/22/14/1176392214.db2.gz KGCUKKUCBJVNAF-ZFWWWQNUSA-N 2 0 281.444 1.613 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CC2CC2)C1 ZINC001700069108 1176737930 /nfs/dbraw/zinc/73/79/30/1176737930.db2.gz PLPFGNDXIZLLER-JKSUJKDBSA-N 2 0 293.455 1.709 10 0 CDAERP CCOCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C[C@H]1C ZINC001700318690 1176846522 /nfs/dbraw/zinc/84/65/22/1176846522.db2.gz VNFBOCLMJHPLLB-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)[NH2+]CCCF ZINC001700419410 1176917786 /nfs/dbraw/zinc/91/77/86/1176917786.db2.gz WOQUZAWNFUVJFG-QWHCGFSZSA-N 2 0 289.439 1.807 10 0 CDAERP CCCC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001700635026 1177045941 /nfs/dbraw/zinc/04/59/41/1177045941.db2.gz WEMVYLQKQDMKGU-HDJSIYSDSA-N 2 0 281.444 1.755 10 0 CDAERP CCC[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001700862439 1177169328 /nfs/dbraw/zinc/16/93/28/1177169328.db2.gz GIGMKIYLVOGUQZ-DZGCQCFKSA-N 2 0 267.417 1.461 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@@H]1CC[C@H](C[NH2+]C/C=C/Cl)C1 ZINC001700914495 1177194779 /nfs/dbraw/zinc/19/47/79/1177194779.db2.gz YWHDNTYYPULVHQ-DZYGNGBISA-N 2 0 299.846 1.709 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C(C)(C)C ZINC001700986408 1177225931 /nfs/dbraw/zinc/22/59/31/1177225931.db2.gz HESYAJGZWSWTNV-CHWSQXEVSA-N 2 0 269.433 1.611 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+]CC=C(C)C)C1 ZINC001707088438 1177947922 /nfs/dbraw/zinc/94/79/22/1177947922.db2.gz TWEODLQSIBPXAB-SHTZXODSSA-N 2 0 281.444 1.779 10 0 CDAERP C[NH+](C)CCC(=O)NCCC[N@H+](C)C/C=C\Cl ZINC001707402479 1178022385 /nfs/dbraw/zinc/02/23/85/1178022385.db2.gz NEAAJKWKFBDUAV-DAXSKMNVSA-N 2 0 261.797 1.129 10 0 CDAERP CCC[N@H+](C)CCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001712982706 1178285380 /nfs/dbraw/zinc/28/53/80/1178285380.db2.gz OVLQVMPISUXNNZ-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCCF)C1 ZINC001713194494 1178424059 /nfs/dbraw/zinc/42/40/59/1178424059.db2.gz CAEPSCBLUYYJNC-XQQFMLRXSA-N 2 0 271.380 1.067 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CCCF)C1 ZINC001713229315 1178445406 /nfs/dbraw/zinc/44/54/06/1178445406.db2.gz SXGKSWSWXSPNRZ-ZIAGYGMSSA-N 2 0 285.407 1.268 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001713484519 1178598944 /nfs/dbraw/zinc/59/89/44/1178598944.db2.gz KVBFCKCXRIKTMK-CQSZACIVSA-N 2 0 267.417 1.175 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)CC[NH2+]C/C=C\Cl ZINC001713650899 1178697051 /nfs/dbraw/zinc/69/70/51/1178697051.db2.gz MKHDHLRLNFCOEN-ALCCZGGFSA-N 2 0 261.797 1.129 10 0 CDAERP CC(C)C[NH2+]CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001713666428 1178702957 /nfs/dbraw/zinc/70/29/57/1178702957.db2.gz QNCQNKKNKKEIMG-ZIAGYGMSSA-N 2 0 269.433 1.563 10 0 CDAERP O=C(N1CCC[C@H](C[NH2+]CCF)C1)C12CCC[NH+]1CCC2 ZINC001714073190 1178959828 /nfs/dbraw/zinc/95/98/28/1178959828.db2.gz RSLLDNMIPIETGB-CQSZACIVSA-N 2 0 297.418 1.413 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@H](CC[NH2+]CC)C1 ZINC001714263653 1179053801 /nfs/dbraw/zinc/05/38/01/1179053801.db2.gz QYXCDAFWJBFFNY-CQSZACIVSA-N 2 0 269.433 1.566 10 0 CDAERP CCC[NH2+]CCC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001714280094 1179062092 /nfs/dbraw/zinc/06/20/92/1179062092.db2.gz ASKMEIYUNLGPEN-UHFFFAOYSA-N 2 0 283.460 1.957 10 0 CDAERP CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]CCCF)[NH+]1CCCC1 ZINC001714310585 1179078879 /nfs/dbraw/zinc/07/88/79/1179078879.db2.gz VEJHLXGECFWMIM-KGLIPLIRSA-N 2 0 287.423 1.561 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001714748488 1179375036 /nfs/dbraw/zinc/37/50/36/1179375036.db2.gz QBGMLLMHGQNBOE-AWEZNQCLSA-N 2 0 283.460 1.811 10 0 CDAERP CCC[NH2+]CC1(NC(=O)CC[NH+](C)C)CCCC1 ZINC001715100890 1179551104 /nfs/dbraw/zinc/55/11/04/1179551104.db2.gz XDUNPQGVEYFHRH-UHFFFAOYSA-N 2 0 255.406 1.367 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]CCCF)CC1 ZINC001715189441 1179573558 /nfs/dbraw/zinc/57/35/58/1179573558.db2.gz GJCAIPLTXVJANG-HDJSIYSDSA-N 2 0 287.423 1.705 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]C/C=C/Cl ZINC001715207906 1179576644 /nfs/dbraw/zinc/57/66/44/1179576644.db2.gz IVERWXVXVXFPPE-GPEUJJIWSA-N 2 0 285.819 1.414 10 0 CDAERP CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]C/C=C/Cl)[NH+](C)C ZINC001715362370 1179643159 /nfs/dbraw/zinc/64/31/59/1179643159.db2.gz LQTWECYKZXAPOR-BRQSLIGTSA-N 2 0 275.824 1.516 10 0 CDAERP C[C@H](C[NH2+]CCCCCF)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001715370428 1179646007 /nfs/dbraw/zinc/64/60/07/1179646007.db2.gz AHIPSVGESABDKA-CQSZACIVSA-N 2 0 299.434 1.659 10 0 CDAERP CCCCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001715706321 1179769864 /nfs/dbraw/zinc/76/98/64/1179769864.db2.gz INSBVXPWIUMMNJ-UONOGXRCSA-N 2 0 269.433 1.613 10 0 CDAERP C[C@H](C[NH2+]CCC(F)(F)F)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001715947926 1179936546 /nfs/dbraw/zinc/93/65/46/1179936546.db2.gz ARULEKPSDCFILI-GHMZBOCLSA-N 2 0 295.349 1.375 10 0 CDAERP COC[C@H](C)[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001716293054 1180146313 /nfs/dbraw/zinc/14/63/13/1180146313.db2.gz ABKZRXBMPIIJLV-ICWYTKJFSA-N 2 0 297.443 1.156 10 0 CDAERP Cc1ccccc1C[NH2+]C/C=C/CNC(=O)CC[NH+](C)C ZINC001716339329 1180160714 /nfs/dbraw/zinc/16/07/14/1180160714.db2.gz CVAXRKMKHJYKIW-VOTSOKGWSA-N 2 0 289.423 1.709 10 0 CDAERP C[C@@H](C[NH2+]CCC1CC1)NC(=O)C1([NH+](C)C)CCC1 ZINC001716439963 1180211838 /nfs/dbraw/zinc/21/18/38/1180211838.db2.gz JUGBOHWPFGYORS-LBPRGKRZSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001716454602 1180219216 /nfs/dbraw/zinc/21/92/16/1180219216.db2.gz GURBKAXXQYPXTK-AWEZNQCLSA-N 2 0 283.460 1.859 10 0 CDAERP CN(CCC[NH2+]CC1CCCC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001716560346 1180283835 /nfs/dbraw/zinc/28/38/35/1180283835.db2.gz QWMZGSBOGCRNFM-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP CCOCC[NH+]1CCC(C)(NC(=O)CC[N@H+](C)CC)CC1 ZINC001716799870 1180419642 /nfs/dbraw/zinc/41/96/42/1180419642.db2.gz QWPKDMOKIJAXGH-UHFFFAOYSA-N 2 0 299.459 1.335 10 0 CDAERP O=C(CC[NH+]1CCCCC1)N1CC[C@@H](CC[NH2+]CCF)C1 ZINC001717111571 1180532498 /nfs/dbraw/zinc/53/24/98/1180532498.db2.gz VHMJJVWRIOXHJE-OAHLLOKOSA-N 2 0 299.434 1.660 10 0 CDAERP COCC[NH2+]C1(CNC(=O)C[C@@H](C)n2ccnc2)CCC1 ZINC001717158708 1180554048 /nfs/dbraw/zinc/55/40/48/1180554048.db2.gz GNGNSEJZTQSOSL-CYBMUJFWSA-N 2 0 294.399 1.109 10 0 CDAERP CC(C)=CC[NH2+]C1(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CCC1 ZINC001717157611 1180554108 /nfs/dbraw/zinc/55/41/08/1180554108.db2.gz RQEYVANMNINXJZ-OAHLLOKOSA-N 2 0 293.455 1.923 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCCOC)[C@H](C)C1 ZINC001717335245 1180621213 /nfs/dbraw/zinc/62/12/13/1180621213.db2.gz GWQMNFMVWDECDT-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP CCCC[NH2+]C1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001717996145 1180963121 /nfs/dbraw/zinc/96/31/21/1180963121.db2.gz RDZKFMQREOEMPQ-UHFFFAOYSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)C[NH2+]CCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001723172713 1181523947 /nfs/dbraw/zinc/52/39/47/1181523947.db2.gz HFOPRYGFQFOZFV-AWEZNQCLSA-N 2 0 269.433 1.422 10 0 CDAERP C[C@@H]1[C@H](C(=O)N[C@H](C[NH2+]CCF)C2CCCC2)CC[N@@H+]1C ZINC001724085418 1181634706 /nfs/dbraw/zinc/63/47/06/1181634706.db2.gz QLXACIHGWBDAQH-BPLDGKMQSA-N 2 0 299.434 1.561 10 0 CDAERP CC[C@H](C(=O)N[C@]1(C)CC[N@H+](CC)C1)[NH+](CC)CC ZINC001724175822 1181647535 /nfs/dbraw/zinc/64/75/35/1181647535.db2.gz ZQLZLPDSLUZDMF-UKRRQHHQSA-N 2 0 269.433 1.707 10 0 CDAERP CCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001724609839 1181704417 /nfs/dbraw/zinc/70/44/17/1181704417.db2.gz SPRMQVDOTVYYDD-KBPBESRZSA-N 2 0 269.433 1.421 10 0 CDAERP CC(C)[NH2+][C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001724942984 1181803075 /nfs/dbraw/zinc/80/30/75/1181803075.db2.gz FLNUIPNUYZCLKE-KGLIPLIRSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)=CC[NH2+]CC1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001725072850 1181845457 /nfs/dbraw/zinc/84/54/57/1181845457.db2.gz LWHBWYDJZMJBJO-SLTAFYQDSA-N 2 0 279.428 1.389 10 0 CDAERP CCOCC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)[C@@H]1C ZINC001725635163 1182079252 /nfs/dbraw/zinc/07/92/52/1182079252.db2.gz QIZIWGMDAPHWAQ-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)[NH2+][C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001731407050 1182369288 /nfs/dbraw/zinc/36/92/88/1182369288.db2.gz VJPJJSRXJRCIJY-TZMCWYRMSA-N 2 0 267.417 1.221 10 0 CDAERP CC(C)=CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001731410933 1182370405 /nfs/dbraw/zinc/37/04/05/1182370405.db2.gz KYLZFSAHJMMJHW-GJZGRUSLSA-N 2 0 279.428 1.389 10 0 CDAERP O=C(CC[NH+]1CCCCC1)N1CCC[C@@H](C[NH2+]CCF)C1 ZINC001731530122 1182437391 /nfs/dbraw/zinc/43/73/91/1182437391.db2.gz JPGBSMZRNDIZOW-HNNXBMFYSA-N 2 0 299.434 1.660 10 0 CDAERP CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001731726212 1182535325 /nfs/dbraw/zinc/53/53/25/1182535325.db2.gz WFKRYRRPWIFECN-OLZOCXBDSA-N 2 0 255.406 1.364 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CCCNC(=O)Cc1c[nH]cn1 ZINC001731755889 1182551189 /nfs/dbraw/zinc/55/11/89/1182551189.db2.gz CHJSRDCANIYDLC-CYBMUJFWSA-N 2 0 264.373 1.333 10 0 CDAERP COCC[NH2+]CCN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001731925753 1182680953 /nfs/dbraw/zinc/68/09/53/1182680953.db2.gz NKCKLHIROHGNRI-UHFFFAOYSA-N 2 0 299.459 1.334 10 0 CDAERP CN(CC[NH2+]C/C=C\Cl)C(=O)C12CCC[NH+]1CCC2 ZINC001731928070 1182683101 /nfs/dbraw/zinc/68/31/01/1182683101.db2.gz DXSHCJCAQHCJRW-DAXSKMNVSA-N 2 0 285.819 1.415 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]C/C=C\Cl)C1 ZINC001731952564 1182697927 /nfs/dbraw/zinc/69/79/27/1182697927.db2.gz RFUDLPHIBIQXHY-FHMRSRPSSA-N 2 0 273.808 1.129 10 0 CDAERP CC[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]CC=C(C)C ZINC001732206787 1182856700 /nfs/dbraw/zinc/85/67/00/1182856700.db2.gz CAFSLGRPRIVGNC-CQSZACIVSA-N 2 0 281.444 1.779 10 0 CDAERP CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CCC[NH+](C)C ZINC001732539835 1183001038 /nfs/dbraw/zinc/00/10/38/1183001038.db2.gz HJJONDDIYPRIJW-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP CC[NH2+]CCN(CC)C(=O)c1ccccc1CC[NH+](C)C ZINC001732790002 1183126127 /nfs/dbraw/zinc/12/61/27/1183126127.db2.gz XWVJOCKACJUHTN-UHFFFAOYSA-N 2 0 291.439 1.862 10 0 CDAERP CCC[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001732908411 1183181147 /nfs/dbraw/zinc/18/11/47/1183181147.db2.gz MFBIWUVDGWVTKX-LQYUOIDQSA-N 2 0 281.444 1.921 10 0 CDAERP C[C@H](C[NH2+]CCC1CC1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001732976075 1183214751 /nfs/dbraw/zinc/21/47/51/1183214751.db2.gz XAQMNFFNHXANBW-CQSZACIVSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@H](C[NH2+]CCCF)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001732983127 1183218806 /nfs/dbraw/zinc/21/88/06/1183218806.db2.gz IVROQSFWDMWISS-CYBMUJFWSA-N 2 0 295.402 1.816 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NC2CC(C[NH2+]C/C=C\Cl)C2)C1 ZINC001733958099 1183584846 /nfs/dbraw/zinc/58/48/46/1183584846.db2.gz PQGXQCINPDZAFF-YDIAZXLISA-N 2 0 285.819 1.175 10 0 CDAERP CCCCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001734156678 1183677950 /nfs/dbraw/zinc/67/79/50/1183677950.db2.gz YEQSCRBAZKEHJX-CABCVRRESA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001734219487 1183695029 /nfs/dbraw/zinc/69/50/29/1183695029.db2.gz QBZJBSUQZMWQPU-LXTVHRRPSA-N 2 0 299.434 1.561 10 0 CDAERP CCCCC[NH2+][C@@H](C)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001734351785 1183743888 /nfs/dbraw/zinc/74/38/88/1183743888.db2.gz UAULXVXUHGSNMO-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)NC[C@H](C)C[NH2+]C ZINC001771762173 1186863694 /nfs/dbraw/zinc/86/36/94/1186863694.db2.gz RVZSBWUDIUPPAG-GFCCVEGCSA-N 2 0 278.400 1.061 10 0 CDAERP C[N@H+]1CC=C(C[NH2+][C@@H]2CCOC3(CCC3)C2)CC1 ZINC000392959150 1187284493 /nfs/dbraw/zinc/28/44/93/1187284493.db2.gz ZYAZRNJLHKEJFW-CQSZACIVSA-N 2 0 250.386 1.940 10 0 CDAERP CC(C)[C@H](C(=O)N[C@@H](C)CC[NH2+]CCF)[NH+](C)C ZINC001320614321 959274320 /nfs/dbraw/zinc/27/43/20/959274320.db2.gz LDSGIROHDAULPQ-NWDGAFQWSA-N 2 0 261.385 1.027 10 0 CDAERP NC(=O)c1ccc(CC[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000866664700 1164805197 /nfs/dbraw/zinc/80/51/97/1164805197.db2.gz KGDBLBXZTOZHTM-AWEZNQCLSA-N 2 0 275.396 1.389 10 0 CDAERP CC(C)CNC(=O)[C@@H](C)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866703520 1164811699 /nfs/dbraw/zinc/81/16/99/1164811699.db2.gz IRAPUCYOXLNEHZ-CJNGLKHVSA-N 2 0 283.460 1.844 10 0 CDAERP CC(C)[C@H]1CN(C(=O)c2cccc(C[NH3+])c2)CC[N@@H+]1C ZINC000870983537 1165248446 /nfs/dbraw/zinc/24/84/46/1165248446.db2.gz VUOLLUWXMBONOJ-OAHLLOKOSA-N 2 0 275.396 1.558 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]C[C@@H](O)CC(C)(C)O)C1 ZINC000871973950 1165368315 /nfs/dbraw/zinc/36/83/15/1165368315.db2.gz PQARVSKUCCVKEU-ZNMIVQPWSA-N 2 0 286.460 1.466 10 0 CDAERP CO[C@H]1C[C@@H](C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)C1 ZINC000872144877 1165386508 /nfs/dbraw/zinc/38/65/08/1165386508.db2.gz KVLWODXVZLMYQK-DRPJVOAASA-N 2 0 282.428 1.630 10 0 CDAERP C[N@H+](CCCCCC[NH3+])CC(=O)NCc1cccnc1 ZINC000872155742 1165387925 /nfs/dbraw/zinc/38/79/25/1165387925.db2.gz VOXPODVKQCTHRN-UHFFFAOYSA-N 2 0 278.400 1.149 10 0 CDAERP CCCC[C@@H](C[NH2+]CCF)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001276254593 1166741779 /nfs/dbraw/zinc/74/17/79/1166741779.db2.gz DVYLYWJCMLBLRR-UONOGXRCSA-N 2 0 287.423 1.705 10 0 CDAERP CC(C)[C@H]1COCC[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000926255778 822047485 /nfs/dbraw/zinc/04/74/85/822047485.db2.gz UAVMXJXGAJYBGD-KGLIPLIRSA-N 2 0 258.406 1.215 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NCCCCc1cc[nH+]c(N)c1 ZINC001637967893 1166805538 /nfs/dbraw/zinc/80/55/38/1166805538.db2.gz PKDLNEWCSFLJEL-ZDUSSCGKSA-N 2 0 292.427 1.691 10 0 CDAERP c1cnc2c(c1)cccc2CN1CC[NH2+]CC[NH2+]CC1 ZINC000923463564 818020400 /nfs/dbraw/zinc/02/04/00/818020400.db2.gz UVYVDDIYKGXBHZ-UHFFFAOYSA-N 2 0 270.380 1.230 10 0 CDAERP COCCC[NH+]1CCC([NH2+]C2[C@@H](C)COC[C@@H]2C)CC1 ZINC000924912197 818062708 /nfs/dbraw/zinc/06/27/08/818062708.db2.gz LUUUKVBITADYQX-KBPBESRZSA-N 2 0 284.444 1.748 10 0 CDAERP CC1(C)[C@H](O)CC[NH+]1C/C=C\C[N@H+]1CC[C@H](O)C1(C)C ZINC000812865828 818062859 /nfs/dbraw/zinc/06/28/59/818062859.db2.gz TVYSQHFYRQRUPX-YOQOKRQFSA-N 2 0 282.428 1.233 10 0 CDAERP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCc1ccc3c(c1)CCO3)C2 ZINC000709802940 818112034 /nfs/dbraw/zinc/11/20/34/818112034.db2.gz MBDLENSQLMMDSQ-BPUTZDHNSA-N 2 0 272.392 1.976 10 0 CDAERP COCCN(C)C[C@@H](O)C[NH+]1CCC(F)(C2CC2)CC1 ZINC000724680062 818220993 /nfs/dbraw/zinc/22/09/93/818220993.db2.gz BUJAPGXSBHIIPJ-CQSZACIVSA-N 2 0 288.407 1.140 10 0 CDAERP CCNC(=O)N1CC[C@H]([NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925588632 818228903 /nfs/dbraw/zinc/22/89/03/818228903.db2.gz RNXUTFIQFIWRDC-AVGNSLFASA-N 2 0 282.432 1.286 10 0 CDAERP C[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000925701827 818233673 /nfs/dbraw/zinc/23/36/73/818233673.db2.gz GJCNXCWCDUAZRN-LJIZCISZSA-N 2 0 297.487 1.980 10 0 CDAERP Cn1ccnc1[C@H](O)C1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261942910 818278925 /nfs/dbraw/zinc/27/89/25/818278925.db2.gz DXFSFINRBKQZDW-GDBMZVCRSA-N 2 0 292.427 1.165 10 0 CDAERP CCC[NH+]1CCC([NH2+]CCCN2CCOC2=O)CC1 ZINC000709778768 818284447 /nfs/dbraw/zinc/28/44/47/818284447.db2.gz HZAXLZWLQZIELI-UHFFFAOYSA-N 2 0 269.389 1.293 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000852870354 818298962 /nfs/dbraw/zinc/29/89/62/818298962.db2.gz LNUFQPIBYSYIPW-OAHLLOKOSA-N 2 0 277.412 1.241 10 0 CDAERP c1[nH]nc2c1[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)CCC2 ZINC000925844907 818320913 /nfs/dbraw/zinc/32/09/13/818320913.db2.gz DLOOIFFTKJGLLB-OAHLLOKOSA-N 2 0 291.443 1.452 10 0 CDAERP CCc1ccc([C@@H](O)C[NH2+][C@H](CCC[NH3+])COC)cc1 ZINC000817929182 818344456 /nfs/dbraw/zinc/34/44/56/818344456.db2.gz KPEPGBAXWNGUBQ-CVEARBPZSA-N 2 0 280.412 1.626 10 0 CDAERP CC[N@@H+]1CC[C@@H](C[NH2+]C2CCC3(CC2)OCCO3)C1 ZINC000037644028 818397258 /nfs/dbraw/zinc/39/72/58/818397258.db2.gz QTZILMFVRDFXNR-ZDUSSCGKSA-N 2 0 268.401 1.604 10 0 CDAERP C[N@H+](CC1CC[NH+](C)CC1)CN1CC(F)(F)CC1=O ZINC000841678211 818455415 /nfs/dbraw/zinc/45/54/15/818455415.db2.gz VUNNRSPJUZTGLM-UHFFFAOYSA-N 2 0 275.343 1.085 10 0 CDAERP C[NH+](C)CC1CCN(C(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000037826074 818463434 /nfs/dbraw/zinc/46/34/34/818463434.db2.gz SLAPTPUKQRHJNG-UHFFFAOYSA-N 2 0 275.396 1.559 10 0 CDAERP CC1(C)C[C@@H]([NH2+][C@@H]2CCc3c[nH]nc3C2)C[C@@H]([NH3+])C1 ZINC000925616303 818474670 /nfs/dbraw/zinc/47/46/70/818474670.db2.gz QRAMMXXCZAZLLL-UPJWGTAASA-N 2 0 262.401 1.763 10 0 CDAERP CCC[C@H](CCO)[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000716864096 818475184 /nfs/dbraw/zinc/47/51/84/818475184.db2.gz ZCMCGDXQPZXHDO-YIYPIFLZSA-N 2 0 254.418 1.904 10 0 CDAERP CC(C)(C)NC(=O)CC[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000925366899 818495770 /nfs/dbraw/zinc/49/57/70/818495770.db2.gz KZVMDIJEQWSEGT-KBPBESRZSA-N 2 0 281.444 1.898 10 0 CDAERP C(C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)CN1CCOCC1 ZINC000925494362 818506873 /nfs/dbraw/zinc/50/68/73/818506873.db2.gz OJYLDGBCWVKFCZ-DLBZAZTESA-N 2 0 295.471 1.467 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000136411003 818613133 /nfs/dbraw/zinc/61/31/33/818613133.db2.gz DFUYQXJGCUHNRH-OLZOCXBDSA-N 2 0 255.406 1.350 10 0 CDAERP C[NH+](C)CC1(O)CC[NH+](Cc2cncs2)CC1 ZINC000710671188 818624826 /nfs/dbraw/zinc/62/48/26/818624826.db2.gz FQUVYLHAQUIHRK-UHFFFAOYSA-N 2 0 255.387 1.032 10 0 CDAERP Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2C[C@@H]2CCC[NH2+]C2)cn1 ZINC000262050252 818674684 /nfs/dbraw/zinc/67/46/84/818674684.db2.gz ZLWZZPBGBSHZDW-FVQBIDKESA-N 2 0 292.427 1.308 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC(=O)N(CC2CC2)C1 ZINC000716742907 818679737 /nfs/dbraw/zinc/67/97/37/818679737.db2.gz XMYBHHGRBWVILZ-BFHYXJOUSA-N 2 0 265.401 1.104 10 0 CDAERP CC(C)c1nnc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)o1 ZINC000866010995 818717640 /nfs/dbraw/zinc/71/76/40/818717640.db2.gz RMEQCVCDNKGGKI-CHWSQXEVSA-N 2 0 295.431 1.369 10 0 CDAERP CC[NH+](CC)[C@H](C)CN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925662289 818779992 /nfs/dbraw/zinc/77/99/92/818779992.db2.gz GNCDHBOLLXEWDM-DBWOOVFOSA-N 2 0 251.418 1.303 10 0 CDAERP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCC[C@@H](O)C3)C[C@@H]2C1 ZINC000310942582 818785307 /nfs/dbraw/zinc/78/53/07/818785307.db2.gz KCPJMMIQUUVNOT-APIJFGDWSA-N 2 0 252.402 1.421 10 0 CDAERP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262380236 818785674 /nfs/dbraw/zinc/78/56/74/818785674.db2.gz NROZNXNCAZCAPR-RFGFWPKPSA-N 2 0 267.417 1.173 10 0 CDAERP C[C@H]([NH3+])CN(C)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000861641931 818822526 /nfs/dbraw/zinc/82/25/26/818822526.db2.gz QFTNRKCQRUGXAB-QWRGUYRKSA-N 2 0 264.373 1.195 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)c1cccs1 ZINC000713351856 818829345 /nfs/dbraw/zinc/82/93/45/818829345.db2.gz GTWUSYKCCBGQAW-ZAZJYDDPSA-N 2 0 293.436 1.594 10 0 CDAERP [NH3+]Cc1ccc2c(c1)CCCN2C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000841848497 818837593 /nfs/dbraw/zinc/83/75/93/818837593.db2.gz JLQMMEQALZDSSJ-YOEHRIQHSA-N 2 0 285.391 1.424 10 0 CDAERP C[NH+](C)CC1(O)CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC000931480365 818841098 /nfs/dbraw/zinc/84/10/98/818841098.db2.gz VNRKBUWFWXBJHD-UHFFFAOYSA-N 2 0 266.429 1.955 10 0 CDAERP O[C@H](COc1ccccc1)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000923414228 818856354 /nfs/dbraw/zinc/85/63/54/818856354.db2.gz KOSAYOKTDBEJOQ-YQQAZPJKSA-N 2 0 290.407 1.500 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@@H](O)CC(C)(C)O ZINC000872200860 818879822 /nfs/dbraw/zinc/87/98/22/818879822.db2.gz LRSQBCCZSCELIZ-CABCVRRESA-N 2 0 286.460 1.753 10 0 CDAERP O=C1C[C@H](CC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CN1 ZINC000925837846 818920357 /nfs/dbraw/zinc/92/03/57/818920357.db2.gz IJZBQPMLSANNNL-QEJZJMRPSA-N 2 0 279.428 1.271 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000817917232 818947319 /nfs/dbraw/zinc/94/73/19/818947319.db2.gz OOIZRFLIDQBWLV-UMSGYPCISA-N 2 0 290.498 1.710 10 0 CDAERP C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925857190 818986760 /nfs/dbraw/zinc/98/67/60/818986760.db2.gz ULIGZIFHJYQRKL-AGIUHOORSA-N 2 0 266.385 1.450 10 0 CDAERP CC1(C)C[NH2+]CC[C@@H](NC(=O)CCCCC[NH3+])C1 ZINC000872274476 819000600 /nfs/dbraw/zinc/00/06/00/819000600.db2.gz ZNUUOUKEYRXOSQ-GFCCVEGCSA-N 2 0 255.406 1.400 10 0 CDAERP C[C@@H](O)[C@@H](O)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000865738947 819031306 /nfs/dbraw/zinc/03/13/06/819031306.db2.gz QXPLNJBBCJPQRV-DOMZBBRYSA-N 2 0 270.417 1.115 10 0 CDAERP CC1(C)CC[NH2+]CCN1C[C@@H](O)COc1ccccc1F ZINC000923414552 819070559 /nfs/dbraw/zinc/07/05/59/819070559.db2.gz LYEINPMVFFVDGD-CYBMUJFWSA-N 2 0 296.386 1.639 10 0 CDAERP Cc1nc(N)nc(N[C@H]2CCC[C@@H]([NH+](C)C)C2)n1 ZINC000715523972 819073830 /nfs/dbraw/zinc/07/38/30/819073830.db2.gz WCLQDRPFDMYCQW-VHSXEESVSA-N 2 0 250.350 1.047 10 0 CDAERP C[NH+](C)CCOCC[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000721572989 819077598 /nfs/dbraw/zinc/07/75/98/819077598.db2.gz VLMKPSJRLYTACW-KGLIPLIRSA-N 2 0 272.433 1.748 10 0 CDAERP C[NH+](C)CC[C@H](NC(=O)C=C1CC[NH2+]CC1)C(C)(C)C ZINC000852868795 819089784 /nfs/dbraw/zinc/08/97/84/819089784.db2.gz OFWIVGXGSACRHW-AWEZNQCLSA-N 2 0 281.444 1.779 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)CC1 ZINC000928077759 819114520 /nfs/dbraw/zinc/11/45/20/819114520.db2.gz IFGNJDUTTJUJJA-STQMWFEESA-N 2 0 297.468 1.024 10 0 CDAERP C[NH2+]CCN(CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC000923433159 819126613 /nfs/dbraw/zinc/12/66/13/819126613.db2.gz OONUDEMVEZLALV-GOOCMWNKSA-N 2 0 253.434 1.837 10 0 CDAERP CCCC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000848998828 819163718 /nfs/dbraw/zinc/16/37/18/819163718.db2.gz ANRZURUXRAIALL-LSDHHAIUSA-N 2 0 296.459 1.886 10 0 CDAERP CC[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)[C@@H]1CCCOC1 ZINC000872035524 819170244 /nfs/dbraw/zinc/17/02/44/819170244.db2.gz WIWWSCGSVFKXBN-SJORKVTESA-N 2 0 297.487 1.809 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cccc(C[NH3+])c1 ZINC000092621406 819212170 /nfs/dbraw/zinc/21/21/70/819212170.db2.gz CIYFMBPDLIUBOA-HNNXBMFYSA-N 2 0 275.396 1.702 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925839788 819237485 /nfs/dbraw/zinc/23/74/85/819237485.db2.gz FDESMEBMANLKJV-JKSUJKDBSA-N 3 0 282.476 1.169 10 0 CDAERP COC(=O)C[C@@H]1C[N@H+](CCC[NH+]2CCCCC2)C[C@H]1C ZINC000932104943 819249745 /nfs/dbraw/zinc/24/97/45/819249745.db2.gz NIJJZOVZMGYQAW-HUUCEWRRSA-N 2 0 282.428 1.993 10 0 CDAERP C(CN1CCC[C@@]12CC[NH2+]C2)C[NH+]1CCCCC1 ZINC000257679162 819254220 /nfs/dbraw/zinc/25/42/20/819254220.db2.gz KPDSMNDORWKLBO-HNNXBMFYSA-N 2 0 251.418 1.690 10 0 CDAERP CCCn1nccc1NC(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923502437 819269625 /nfs/dbraw/zinc/26/96/25/819269625.db2.gz XRRITBDFAIQWJF-CHWSQXEVSA-N 2 0 293.415 1.148 10 0 CDAERP CCC[NH2+][C@@H](C)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000870991737 819376474 /nfs/dbraw/zinc/37/64/74/819376474.db2.gz GZSUSVBDRUSNQE-SWLSCSKDSA-N 2 0 269.433 1.598 10 0 CDAERP CC(C)C[C@H](CNC(=[NH2+])N1CCO[C@H](C)C1)[NH+]1CCCC1 ZINC000848984071 819385461 /nfs/dbraw/zinc/38/54/61/819385461.db2.gz KBEMETVCZUAJHH-HUUCEWRRSA-N 2 0 296.459 1.742 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000870994368 819386178 /nfs/dbraw/zinc/38/61/78/819386178.db2.gz PUTDPGJEJIVIAY-RHSMWYFYSA-N 2 0 289.423 1.910 10 0 CDAERP [NH3+]CCCCCC[N@@H+]1CCCCCCNC(=O)CC1 ZINC000866684502 819407108 /nfs/dbraw/zinc/40/71/08/819407108.db2.gz NUPLVUQQGQKHRS-UHFFFAOYSA-N 2 0 269.433 1.888 10 0 CDAERP CC(C)OC(=O)N1CCC([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000817913390 819482484 /nfs/dbraw/zinc/48/24/84/819482484.db2.gz ZJAUFFPIHHKQAS-OCCSQVGLSA-N 2 0 283.416 1.726 10 0 CDAERP CN(CC[C@@H]1CCCC[N@@H+]1C)C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000929721701 819617218 /nfs/dbraw/zinc/61/72/18/819617218.db2.gz DOQDRTJENLCVJW-VGWMRTNUSA-N 2 0 282.428 1.597 10 0 CDAERP C[NH+](C)[C@@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)C1(C)C ZINC000864063399 819629586 /nfs/dbraw/zinc/62/95/86/819629586.db2.gz JVYUMXNRMZMNPA-JHJVBQTASA-N 2 0 281.444 1.704 10 0 CDAERP COCCN(C)CC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925577237 819821211 /nfs/dbraw/zinc/82/12/11/819821211.db2.gz MWQSCFXDNDSNFG-OLZOCXBDSA-N 2 0 257.422 1.060 10 0 CDAERP C[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000305870847 819844937 /nfs/dbraw/zinc/84/49/37/819844937.db2.gz OKPKNZXSQYGITJ-MXASKKJJSA-N 2 0 274.408 1.867 10 0 CDAERP CCc1noc([C@@H]2CC[C@H]([NH2+][C@@H](CCC[NH3+])COC)C2)n1 ZINC000925874132 819845541 /nfs/dbraw/zinc/84/55/41/819845541.db2.gz WIWCUCDLHIOJEA-AGIUHOORSA-N 2 0 296.415 1.612 10 0 CDAERP C[C@H](CO[C@@H]1CCOC1)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925538327 819862268 /nfs/dbraw/zinc/86/22/68/819862268.db2.gz ADVDHAHFERMYIM-AAVRWANBSA-N 2 0 270.417 1.676 10 0 CDAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000848722382 819866739 /nfs/dbraw/zinc/86/67/39/819866739.db2.gz SRBKJHCAUNCRQD-UMVBOHGHSA-N 2 0 295.427 1.870 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)C1 ZINC000872299163 819868801 /nfs/dbraw/zinc/86/88/01/819868801.db2.gz YMPNKANOFHAFGZ-JHZZJYKESA-N 2 0 277.412 1.104 10 0 CDAERP C[NH2+]CCC1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000070190050 820013521 /nfs/dbraw/zinc/01/35/21/820013521.db2.gz NLSIRDZQXZQUQO-JTQLQIEISA-N 2 0 254.296 1.231 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)CCc1cccnc1 ZINC000866264302 820021776 /nfs/dbraw/zinc/02/17/76/820021776.db2.gz XWXNAMQMSAXBDE-JKSUJKDBSA-N 2 0 290.455 1.628 10 0 CDAERP C[C@@H]1C[N@H+](C[C@H]2CC[C@@H](C(F)(F)F)O2)C[C@H]1C[NH3+] ZINC000721443383 820027225 /nfs/dbraw/zinc/02/72/25/820027225.db2.gz AKYIEVFXEGNFMH-DBIOUOCHSA-N 2 0 266.307 1.623 10 0 CDAERP CC[NH+](CC)CCSCC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000928450782 820027847 /nfs/dbraw/zinc/02/78/47/820027847.db2.gz SJTWMEHCXVXQFD-CHWSQXEVSA-N 2 0 287.473 1.270 10 0 CDAERP C[NH+](C)CCOCC[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000926254702 820073398 /nfs/dbraw/zinc/07/33/98/820073398.db2.gz NGTSZTAGZWPILX-HUUCEWRRSA-N 2 0 269.433 1.171 10 0 CDAERP Cc1ccccc1NC(=O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723909497 820330132 /nfs/dbraw/zinc/33/01/32/820330132.db2.gz YWIMXKHDLHPWMW-ZIAGYGMSSA-N 2 0 275.396 1.850 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925546925 820335389 /nfs/dbraw/zinc/33/53/89/820335389.db2.gz LDHDKJYMLLTQPA-BZUAXINKSA-N 3 0 296.503 1.508 10 0 CDAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CCCC1CC[NH2+]CC1)CC2 ZINC000923451925 820426144 /nfs/dbraw/zinc/42/61/44/820426144.db2.gz NUXVLZHIHJVXRO-INIZCTEOSA-N 3 0 295.471 1.596 10 0 CDAERP Cc1cncc(CC[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)n1 ZINC000925704166 820461161 /nfs/dbraw/zinc/46/11/61/820461161.db2.gz BMGWPEKSQSPRRA-JSGCOSHPSA-N 2 0 262.401 1.823 10 0 CDAERP [NH3+]CC12CCC(CC1)CN2C(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872302184 820528911 /nfs/dbraw/zinc/52/89/11/820528911.db2.gz QXOCKLXXQMKNET-IQXANGCESA-N 2 0 279.428 1.624 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCOC2=O)[C@H](C)C1 ZINC000872114327 820599284 /nfs/dbraw/zinc/59/92/84/820599284.db2.gz XLJQMFBMEIMWDG-MCIONIFRSA-N 2 0 268.401 1.650 10 0 CDAERP COCC[NH2+]C1CCN(C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000872302799 820623532 /nfs/dbraw/zinc/62/35/32/820623532.db2.gz MSHFKIVGYNEIDQ-CABCVRRESA-N 2 0 297.443 1.121 10 0 CDAERP CCC/C=C\C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000855344802 820714662 /nfs/dbraw/zinc/71/46/62/820714662.db2.gz GIQSJMFYBHQRCP-GDAGCXPBSA-N 2 0 269.433 1.731 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000870994848 820777203 /nfs/dbraw/zinc/77/72/03/820777203.db2.gz WJPJODKUFPHNMU-IUODEOHRSA-N 2 0 267.417 1.352 10 0 CDAERP C[NH+](C)CCOCC[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1 ZINC000926253654 820811652 /nfs/dbraw/zinc/81/16/52/820811652.db2.gz HEIZIOBZXOVJSM-CABCVRRESA-N 2 0 270.417 1.359 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cccc(C[NH3+])c1 ZINC000092621404 820812958 /nfs/dbraw/zinc/81/29/58/820812958.db2.gz CIYFMBPDLIUBOA-OAHLLOKOSA-N 2 0 275.396 1.702 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)N(C)CC2CCCCC2)CC[C@H]1C[NH3+] ZINC000923502247 820825722 /nfs/dbraw/zinc/82/57/22/820825722.db2.gz YHBDGSBDNIJEHK-ZBFHGGJFSA-N 2 0 295.471 1.942 10 0 CDAERP COCC1(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CCOCC1 ZINC000925673445 820866245 /nfs/dbraw/zinc/86/62/45/820866245.db2.gz NNWLQSYIFABYTP-KGLIPLIRSA-N 2 0 284.444 1.925 10 0 CDAERP C[NH+](C)Cc1cccc(NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)c1 ZINC000713272417 820890323 /nfs/dbraw/zinc/89/03/23/820890323.db2.gz AFEAMBHQWHXXER-WWGRRREGSA-N 2 0 273.380 1.814 10 0 CDAERP C[NH+](C)C1(CNC(=O)NC2CCC(C)([NH+](C)C)CC2)CC1 ZINC000922981924 820892105 /nfs/dbraw/zinc/89/21/05/820892105.db2.gz VCFIHSBIEONYCA-UHFFFAOYSA-N 2 0 296.459 1.643 10 0 CDAERP C[NH+](C)CC[C@@H](N)c1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000844917719 820937866 /nfs/dbraw/zinc/93/78/66/820937866.db2.gz MRMBQQZYEIGCIL-GFCCVEGCSA-N 2 0 286.339 1.336 10 0 CDAERP C[C@H](CN1CCCC1=O)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925501918 820986962 /nfs/dbraw/zinc/98/69/62/820986962.db2.gz CTFRQBDCUIVANC-UPJWGTAASA-N 2 0 267.417 1.493 10 0 CDAERP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925684479 821081320 /nfs/dbraw/zinc/08/13/20/821081320.db2.gz BMSDMSMCNSSZQI-HUUCEWRRSA-N 3 0 265.445 1.983 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[N@H+](CC)C(C)C ZINC000861570433 821226627 /nfs/dbraw/zinc/22/66/27/821226627.db2.gz QOKUGQGSCCGVCT-QWHCGFSZSA-N 2 0 270.421 1.156 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)[C@H]2CC23CC[NH2+]CC3)C1 ZINC000870992045 821260474 /nfs/dbraw/zinc/26/04/74/821260474.db2.gz HVGDOBJAQGULHH-DYVFJYSZSA-N 2 0 293.455 1.600 10 0 CDAERP CC(C)COC[C@H](O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000923364702 821347830 /nfs/dbraw/zinc/34/78/30/821347830.db2.gz QHISQKRZFRQKPR-OAGGEKHMSA-N 2 0 284.444 1.484 10 0 CDAERP CC(C)[NH2+]C1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000925329739 821348233 /nfs/dbraw/zinc/34/82/33/821348233.db2.gz QAXODBOAWNTVOQ-OCCSQVGLSA-N 2 0 282.432 1.251 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1)c1cccc(F)c1F ZINC000923380352 821425549 /nfs/dbraw/zinc/42/55/49/821425549.db2.gz VIOSZTVRNUAPHQ-QWRGUYRKSA-N 2 0 282.334 1.994 10 0 CDAERP CC(C)C[N@H+](CCN1CC[NH2+]CC1)CC1CC[NH+](C)CC1 ZINC000866717456 821558283 /nfs/dbraw/zinc/55/82/83/821558283.db2.gz GDSXBGURPMAQDV-UHFFFAOYSA-N 3 0 296.503 1.191 10 0 CDAERP C[C@H](Cn1cncn1)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927038355 821631608 /nfs/dbraw/zinc/63/16/08/821631608.db2.gz PUFTYGXMSHWOOA-WLYUNCDWSA-N 2 0 277.416 1.663 10 0 CDAERP C[NH+]1CCC(C[NH2+]Cc2ccoc2)(N2CCOCC2)CC1 ZINC000840955248 821649892 /nfs/dbraw/zinc/64/98/92/821649892.db2.gz PFMQQULMVHVKJE-UHFFFAOYSA-N 2 0 293.411 1.166 10 0 CDAERP [NH3+]CCCCCCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000843386006 821663828 /nfs/dbraw/zinc/66/38/28/821663828.db2.gz AZYSGZMADQKBCP-GASCZTMLSA-N 3 0 253.434 1.827 10 0 CDAERP CON(C)C(=O)CC[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000799150949 821674926 /nfs/dbraw/zinc/67/49/26/821674926.db2.gz ZHJLDHJPPGORBE-UHFFFAOYSA-N 2 0 285.432 1.450 10 0 CDAERP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@@H]1CCC(C)(C)CO1)C2 ZINC000720827348 821736192 /nfs/dbraw/zinc/73/61/92/821736192.db2.gz JWXXHYKDFLSXIZ-KCQAQPDRSA-N 2 0 252.402 1.733 10 0 CDAERP C[NH+]1CCC2(CCC[N@H+](C[C@]3(C)CC[NH2+]C3)C2)CC1 ZINC000843119386 821804764 /nfs/dbraw/zinc/80/47/64/821804764.db2.gz LLGSATLMXRWAKC-OAHLLOKOSA-N 3 0 265.445 1.794 10 0 CDAERP C[N@@H+]1CCC[C@H](CN[C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000925554845 821819280 /nfs/dbraw/zinc/81/92/80/821819280.db2.gz DHLKJZCIVYZMPG-KBXIAJHMSA-N 2 0 265.445 1.694 10 0 CDAERP COC[C@@H](C[NH+]1CCC(OCCC[NH3+])CC1)C(C)C ZINC000721917766 821821950 /nfs/dbraw/zinc/82/19/50/821821950.db2.gz JENAPKHLWNXUCX-CQSZACIVSA-N 2 0 272.433 1.735 10 0 CDAERP CC1(C)C[C@@H]([NH2+]CCc2nnc3ccccn32)C[C@@H]([NH3+])C1 ZINC000925511513 821869614 /nfs/dbraw/zinc/86/96/14/821869614.db2.gz ODUFXSDMTOQAMI-OLZOCXBDSA-N 2 0 287.411 1.767 10 0 CDAERP [NH3+]CCCCCCNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000852895264 821872811 /nfs/dbraw/zinc/87/28/11/821872811.db2.gz VTJYBFYQCHRQSR-UHFFFAOYSA-N 2 0 253.390 1.296 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cccc(C(N)=O)c1 ZINC000924604704 821877192 /nfs/dbraw/zinc/87/71/92/821877192.db2.gz XTUJRVYMOWJUQM-YIONKMFJSA-N 2 0 273.380 1.215 10 0 CDAERP CCC[NH+]1CCC(C[NH2+]Cc2cn(C)cn2)CC1 ZINC000808386470 821888056 /nfs/dbraw/zinc/88/80/56/821888056.db2.gz FCCBPJCCDUPWNL-UHFFFAOYSA-N 2 0 250.390 1.632 10 0 CDAERP C[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@H]1CC[NH3+] ZINC000723894865 822039880 /nfs/dbraw/zinc/03/98/80/822039880.db2.gz QATRNDICZSPIRJ-NXEZZACHSA-N 2 0 254.296 1.482 10 0 CDAERP CSCC[C@H]([NH3+])C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000870994925 822051815 /nfs/dbraw/zinc/05/18/15/822051815.db2.gz YFKKVBACJTYAJV-SMDDNHRTSA-N 2 0 287.473 1.290 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000852882271 822060733 /nfs/dbraw/zinc/06/07/33/822060733.db2.gz BHLNDEKQSSFKBL-LSDHHAIUSA-N 2 0 277.412 1.144 10 0 CDAERP C([C@H]1CC[C@H](C2CC2)O1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000715510991 822081033 /nfs/dbraw/zinc/08/10/33/822081033.db2.gz QOQQVSBPMLKEFN-KFWWJZLASA-N 2 0 250.386 1.629 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)N[C@H]1CC[NH+](C)[C@H]1C ZINC000925343793 822092475 /nfs/dbraw/zinc/09/24/75/822092475.db2.gz QFZGKHUWXHDFNX-STQMWFEESA-N 2 0 284.448 1.499 10 0 CDAERP CC1(C)[C@H](c2nc(C3([NH3+])CCCC3)no2)C[C@@H]1[NH3+] ZINC000871787534 822200785 /nfs/dbraw/zinc/20/07/85/822200785.db2.gz ZXBCTYTVDSJKCF-IUCAKERBSA-N 2 0 250.346 1.638 10 0 CDAERP CCOCC[C@H](O)C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000923413737 822209691 /nfs/dbraw/zinc/20/96/91/822209691.db2.gz HPKISDCFSKVTMR-DZGCQCFKSA-N 2 0 272.433 1.471 10 0 CDAERP C(COC[C@@H]1CCCO1)[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925498135 822209972 /nfs/dbraw/zinc/20/99/72/822209972.db2.gz MRDILOGLVPPUFY-ULQDDVLXSA-N 2 0 296.455 1.940 10 0 CDAERP CC[C@@H](N[C@H]1C[NH2+]CC2(CCOCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000925797257 822219898 /nfs/dbraw/zinc/21/98/98/822219898.db2.gz MWUZDAJFLDLBSI-KFWWJZLASA-N 2 0 281.444 1.265 10 0 CDAERP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1[C@H]3C[C@H]4CO[C@H]1[C@H]4C3)[NH2+]2 ZINC000925725771 822229093 /nfs/dbraw/zinc/22/90/93/822229093.db2.gz NRXLIZSBIKQWKZ-UNLWICFLSA-N 2 0 262.397 1.528 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)CC[N@@H+]1C ZINC000923189505 822272269 /nfs/dbraw/zinc/27/22/69/822272269.db2.gz HTYIKPSWKVEKIX-UPJWGTAASA-N 2 0 282.432 1.251 10 0 CDAERP CC[C@H](NC[C@]12CCC[C@H]1[NH2+]CC2)c1nccn1C ZINC000925845052 822297610 /nfs/dbraw/zinc/29/76/10/822297610.db2.gz KAVZFIQDBNPYHO-GZBFAFLISA-N 2 0 262.401 1.993 10 0 CDAERP C[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)C1CC1 ZINC000925858718 822413556 /nfs/dbraw/zinc/41/35/56/822413556.db2.gz VZFPVHBTYGNTGC-PWSUYJOCSA-N 2 0 252.358 1.060 10 0 CDAERP CN(CC1C[NH+](C)C1)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000869011419 822425887 /nfs/dbraw/zinc/42/58/87/822425887.db2.gz SIYJOYWUPWPQDE-UHFFFAOYSA-N 2 0 296.459 1.452 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1N[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925716597 822428726 /nfs/dbraw/zinc/42/87/26/822428726.db2.gz AVPXKWPKIIAHJH-MYPMTAMASA-N 2 0 251.418 1.495 10 0 CDAERP CC(C)C[C@H]1C[N@H+](C)CCN1C[C@@H]1C[NH2+]C[C@H]1C ZINC000923553419 822476676 /nfs/dbraw/zinc/47/66/76/822476676.db2.gz JLTVUSOOFIFESU-ILXRZTDVSA-N 2 0 253.434 1.504 10 0 CDAERP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C=C1CC[NH2+]CC1 ZINC000852792765 822524177 /nfs/dbraw/zinc/52/41/77/822524177.db2.gz BYKMGTJWKRXBAG-AAEUAGOBSA-N 2 0 251.374 1.025 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CN(C2CC2)C(=O)O1 ZINC000848721366 822574353 /nfs/dbraw/zinc/57/43/53/822574353.db2.gz JFHCTDWYPBEWRU-PWSUYJOCSA-N 2 0 255.362 1.077 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)C=C1CC[NH2+]CC1 ZINC000854014325 822582373 /nfs/dbraw/zinc/58/23/73/822582373.db2.gz SBUFTZSBCCIBHQ-UHFFFAOYSA-N 2 0 267.417 1.533 10 0 CDAERP [NH3+]CCCCCCNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000831290470 822585601 /nfs/dbraw/zinc/58/56/01/822585601.db2.gz AQNRJVSDOVGOSS-OAHLLOKOSA-N 2 0 282.432 1.291 10 0 CDAERP COC1CC[NH+](C(C)(C)CNC2=[NH+]CCCCN2)CC1 ZINC000849216198 822594306 /nfs/dbraw/zinc/59/43/06/822594306.db2.gz YTALNLRWMINYJG-UHFFFAOYSA-N 2 0 282.432 1.205 10 0 CDAERP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)C(C)(C)CO ZINC000924715167 822635873 /nfs/dbraw/zinc/63/58/73/822635873.db2.gz MEGYLUUZAPDZHU-LBPRGKRZSA-N 2 0 254.418 1.857 10 0 CDAERP C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2)C[C@H]1CC[NH3+] ZINC000923432210 822639895 /nfs/dbraw/zinc/63/98/95/822639895.db2.gz XXLMBTCTABPFOD-UXIGCNINSA-N 2 0 266.360 1.776 10 0 CDAERP CC(C)CC[N@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001403749277 977171912 /nfs/dbraw/zinc/17/19/12/977171912.db2.gz KNUYTENWGRGSIX-CQSZACIVSA-N 2 0 271.449 1.667 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001565849483 1168184764 /nfs/dbraw/zinc/18/47/64/1168184764.db2.gz GWGRSHVYOQMUSC-OKILXGFUSA-N 2 0 281.444 1.613 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001266688597 895831348 /nfs/dbraw/zinc/83/13/48/895831348.db2.gz PDJWQXSVRHDLIX-QLFBSQMISA-N 2 0 281.444 1.898 10 0 CDAERP CC[C@H]([NH2+][C@H](CCC[NH3+])COC)[C@H]1CCCOC1 ZINC000723988823 896318796 /nfs/dbraw/zinc/31/87/96/896318796.db2.gz RZNJCJHYNMNMPV-MJBXVCDLSA-N 2 0 258.406 1.535 10 0 CDAERP CN(C)C(=O)CCC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693755460 897266013 /nfs/dbraw/zinc/26/60/13/897266013.db2.gz FXQRMTGDWPPYIY-KWCYVHTRSA-N 2 0 267.417 1.221 10 0 CDAERP CC[C@@H](C)C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001567605304 1168885068 /nfs/dbraw/zinc/88/50/68/1168885068.db2.gz WKGXPLFTFBLSLG-CHWSQXEVSA-N 2 0 255.406 1.032 10 0 CDAERP CC(C)OCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001267738084 899468625 /nfs/dbraw/zinc/46/86/25/899468625.db2.gz PMRGVUYYKZROBK-HUUCEWRRSA-N 2 0 297.443 1.086 10 0 CDAERP CC(C)OCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001267954057 900054596 /nfs/dbraw/zinc/05/45/96/900054596.db2.gz YFXMRSRFFICFDV-CABCVRRESA-N 2 0 297.443 1.086 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001267969167 900121331 /nfs/dbraw/zinc/12/13/31/900121331.db2.gz GXNYUIRUPDLUFP-OAHLLOKOSA-N 2 0 281.444 1.853 10 0 CDAERP COCCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001268001016 900239833 /nfs/dbraw/zinc/23/98/33/900239833.db2.gz UPQNFJBDUISORL-ILXRZTDVSA-N 2 0 299.459 1.095 10 0 CDAERP CC(C)CCC[NH2+]CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001481304637 900289231 /nfs/dbraw/zinc/28/92/31/900289231.db2.gz XSGSCUDFGJSKQS-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP CC[C@@H](CO)[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001177015331 914432755 /nfs/dbraw/zinc/43/27/55/914432755.db2.gz HKJYGHXMJBLXJI-SOUVJXGZSA-N 2 0 252.402 1.565 10 0 CDAERP C[C@@H](C[NH2+]CC1CCC1)N(C)C(=O)C[NH+]1CCCC1 ZINC001268099313 901283117 /nfs/dbraw/zinc/28/31/17/901283117.db2.gz BYGDEHVIBSWMNJ-ZDUSSCGKSA-N 2 0 267.417 1.319 10 0 CDAERP CCC[NH2+]C[C@@H](CC(C)C)NC(=O)C[NH+]1CCCC1 ZINC001268116397 901328789 /nfs/dbraw/zinc/32/87/89/901328789.db2.gz NFDOIJOCBNWJLY-CQSZACIVSA-N 2 0 269.433 1.613 10 0 CDAERP CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001268162237 901457424 /nfs/dbraw/zinc/45/74/24/901457424.db2.gz JSNCFPAXUPHDPZ-KBPBESRZSA-N 2 0 269.433 1.707 10 0 CDAERP C[C@H](CC[NH2+]CC1=CCCCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001268422547 902039031 /nfs/dbraw/zinc/03/90/31/902039031.db2.gz FBGICSGSVLUMSS-ZBFHGGJFSA-N 2 0 293.455 1.923 10 0 CDAERP CCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC001481775151 902115545 /nfs/dbraw/zinc/11/55/45/902115545.db2.gz STSGOCDSICBUPQ-ZDUSSCGKSA-N 2 0 255.406 1.269 10 0 CDAERP CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC=C(C)C ZINC001481870460 902249988 /nfs/dbraw/zinc/24/99/88/902249988.db2.gz MRLRBWRWRIYGQZ-AWEZNQCLSA-N 2 0 279.428 1.533 10 0 CDAERP CC[N@@H+]1CC[C@@H]1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC001361681712 902491366 /nfs/dbraw/zinc/49/13/66/902491366.db2.gz MKBVBRXYIKSXEM-OAHLLOKOSA-N 2 0 279.428 1.558 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC1CCCCC1 ZINC001268522438 902501101 /nfs/dbraw/zinc/50/11/01/902501101.db2.gz LGCZDBSPFHJGSD-JFDDCEBESA-N 2 0 293.455 1.923 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+]CC1CCC1 ZINC001482138356 902755622 /nfs/dbraw/zinc/75/56/22/902755622.db2.gz VEHGLLFFLFXZNQ-GFCCVEGCSA-N 2 0 255.406 1.080 10 0 CDAERP C[C@@H](C[NH2+]CCC(F)(F)F)NC(=O)C12CC[NH+](CC1)C2 ZINC001268711383 902997445 /nfs/dbraw/zinc/99/74/45/902997445.db2.gz GTEOXENMUGXNGL-JTQLQIEISA-N 2 0 293.333 1.129 10 0 CDAERP CC[NH2+]CCCN(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001268848315 903177425 /nfs/dbraw/zinc/17/74/25/903177425.db2.gz XLTZHTUGKBFIBR-UHFFFAOYSA-N 2 0 291.439 1.862 10 0 CDAERP CN(CCC[NH2+]C/C=C\Cl)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001268915953 903242756 /nfs/dbraw/zinc/24/27/56/903242756.db2.gz ULWMNIVTZXGYPT-RJNRQISESA-N 2 0 287.835 1.519 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001270174083 904418406 /nfs/dbraw/zinc/41/84/06/904418406.db2.gz IRFPIYDIJRPWRB-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP CCCC[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001270263854 904487359 /nfs/dbraw/zinc/48/73/59/904487359.db2.gz YNNPOHKXUSJQQA-HUUCEWRRSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]CC=C(C)C ZINC001270298652 904514989 /nfs/dbraw/zinc/51/49/89/904514989.db2.gz KVRYWZJLTRVQDW-OAHLLOKOSA-N 2 0 281.444 1.875 10 0 CDAERP O=C(CCCC[NH+]1CCCC1)N1CCC[C@@H]1C[NH2+]CCF ZINC001270315969 904526040 /nfs/dbraw/zinc/52/60/40/904526040.db2.gz LXWAQUWJTSUFMR-OAHLLOKOSA-N 2 0 299.434 1.803 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCF ZINC001482292034 904673590 /nfs/dbraw/zinc/67/35/90/904673590.db2.gz JCLGSMZCUZIQHX-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP CC(C)[C@H](C(=O)NC[C@@H](C)C[NH2+]C/C=C/Cl)[NH+](C)C ZINC001270508885 904688226 /nfs/dbraw/zinc/68/82/26/904688226.db2.gz VLQMWBBIAAUEDM-VFZNBBLXSA-N 2 0 289.851 1.667 10 0 CDAERP C[C@@H]([NH2+]CCCF)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001271551525 906516196 /nfs/dbraw/zinc/51/61/96/906516196.db2.gz RCJCVWRPLLLTIO-KGLIPLIRSA-N 2 0 297.418 1.268 10 0 CDAERP CC[C@H](C(=O)NC[C@H]([NH2+]C(C)C)C(C)C)[NH+](C)C ZINC001271855360 906899493 /nfs/dbraw/zinc/89/94/93/906899493.db2.gz TURZKGINNRYNGJ-QWHCGFSZSA-N 2 0 257.422 1.465 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]([NH2+]C(C)C)C(C)C)[NH+](C)C ZINC001271855358 906900011 /nfs/dbraw/zinc/90/00/11/906900011.db2.gz TURZKGINNRYNGJ-CHWSQXEVSA-N 2 0 257.422 1.465 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CC2CC2)C1 ZINC001482663351 908135718 /nfs/dbraw/zinc/13/57/18/908135718.db2.gz PWQDLOKAVKVQMO-GJZGRUSLSA-N 2 0 279.428 1.271 10 0 CDAERP CC[C@H](C)C[NH2+]C/C=C\CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001483059078 909192122 /nfs/dbraw/zinc/19/21/22/909192122.db2.gz NRSKAIGGOQBAAJ-RWCKICOTSA-N 2 0 281.444 1.636 10 0 CDAERP C[NH+](C)CC1(O)CC[NH+](C[C@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000715390846 909963925 /nfs/dbraw/zinc/96/39/25/909963925.db2.gz CCFLTMBSPVJJRX-CABCVRRESA-N 2 0 282.428 1.333 10 0 CDAERP CC/C=C\CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001483228646 910302299 /nfs/dbraw/zinc/30/22/99/910302299.db2.gz UOQQQSLENAYMLN-DWMWFBOSSA-N 2 0 281.444 1.777 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]C(C)C)CC[N@@H+]1C ZINC001483228872 910307144 /nfs/dbraw/zinc/30/71/44/910307144.db2.gz ZOHQMLWRKFCYKB-RWMBFGLXSA-N 2 0 255.406 1.219 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]C/C=C/Cl ZINC001483286132 910791371 /nfs/dbraw/zinc/79/13/71/910791371.db2.gz RIXZCFVKJYOGLM-QRGHLMKCSA-N 2 0 261.797 1.175 10 0 CDAERP CC[C@@H](C(=O)N(C)CCC[NH2+]Cc1ocnc1C)[NH+](C)C ZINC001483492344 911188089 /nfs/dbraw/zinc/18/80/89/911188089.db2.gz MQGZBUWFZWYNNM-ZDUSSCGKSA-N 2 0 296.415 1.261 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]CCC[C@@H](C)O ZINC001493807310 915819846 /nfs/dbraw/zinc/81/98/46/915819846.db2.gz ZMGAGDMFTCQUBB-HUUCEWRRSA-N 2 0 299.459 1.070 10 0 CDAERP CC(C)=CC[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001484897161 916252484 /nfs/dbraw/zinc/25/24/84/916252484.db2.gz HJVJEOKSGATYGY-HOCLYGCPSA-N 2 0 293.455 1.731 10 0 CDAERP CCCC[NH2+][C@@H](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001485001609 916368755 /nfs/dbraw/zinc/36/87/55/916368755.db2.gz XOSINIJOSMEZCW-UONOGXRCSA-N 2 0 269.433 1.613 10 0 CDAERP C[N@H+](CCCF)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001485049590 916434541 /nfs/dbraw/zinc/43/45/41/916434541.db2.gz GIJVQKRMFMHKJJ-KBPBESRZSA-N 2 0 285.407 1.363 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001485187638 916648497 /nfs/dbraw/zinc/64/84/97/916648497.db2.gz DVXTYQKTPALGLH-UONOGXRCSA-N 2 0 281.444 1.777 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001568280650 1169222156 /nfs/dbraw/zinc/22/21/56/1169222156.db2.gz ANFMWRWBGNXWRN-HUUCEWRRSA-N 2 0 281.444 1.873 10 0 CDAERP C[C@H](CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CC1CC1 ZINC001485886308 920545835 /nfs/dbraw/zinc/54/58/35/920545835.db2.gz UHURYJBLFBUBBY-HIFRSBDPSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H]1C ZINC001486097628 920697454 /nfs/dbraw/zinc/69/74/54/920697454.db2.gz WXHGEOBYVFTQAB-LSDHHAIUSA-N 2 0 283.460 1.952 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CCCF)C[C@H]1C ZINC001486129344 920733301 /nfs/dbraw/zinc/73/33/01/920733301.db2.gz LRNVWVZMGLVQBP-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@]12CCC[C@H]1[NH+](CC1CC1)CC2 ZINC001486155749 920763009 /nfs/dbraw/zinc/76/30/09/920763009.db2.gz RGXGKSPNWWMHFP-NVXWUHKLSA-N 2 0 293.455 1.850 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)C1CC([NH2+]CCC(C)C)C1 ZINC001486480726 921056733 /nfs/dbraw/zinc/05/67/33/921056733.db2.gz YUNXFAJKPZDUEI-UHFFFAOYSA-N 2 0 283.460 1.953 10 0 CDAERP CN(C[C@@H]1CCC[N@H+](C)C1)C[C@@H]1CCCC[NH2+]C1 ZINC000705146268 922938898 /nfs/dbraw/zinc/93/88/98/922938898.db2.gz GPFQCFPRHTYXIL-HUUCEWRRSA-N 2 0 253.434 1.650 10 0 CDAERP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@H]1COc3ccccc3O1)C2 ZINC000709863515 923230075 /nfs/dbraw/zinc/23/00/75/923230075.db2.gz QREYFTZIRURWIE-XUXIUFHCSA-N 2 0 274.364 1.638 10 0 CDAERP CCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001671243657 1169257836 /nfs/dbraw/zinc/25/78/36/1169257836.db2.gz DRJICZWFXPGGAV-CHWSQXEVSA-N 2 0 255.406 1.317 10 0 CDAERP COCC[N@@H+](Cc1cccs1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923303140 923726364 /nfs/dbraw/zinc/72/63/64/923726364.db2.gz ZMHFYWHGJWYFNA-CYBMUJFWSA-N 2 0 296.436 1.575 10 0 CDAERP Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923492377 923877820 /nfs/dbraw/zinc/87/78/20/923877820.db2.gz NZJASVOUUOANAX-OWCLPIDISA-N 2 0 292.423 1.651 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)N2CCCC2)[C@H](C)C1 ZINC000838894584 936894166 /nfs/dbraw/zinc/89/41/66/936894166.db2.gz HVOCXGFGFDJQHJ-HUUCEWRRSA-N 2 0 281.444 1.661 10 0 CDAERP CC[NH+]1CCN(CC(C)(C)[NH2+]CCC[C@H](C)O)CC1 ZINC001195235409 924496655 /nfs/dbraw/zinc/49/66/55/924496655.db2.gz YROCPOAACSRWIQ-AWEZNQCLSA-N 2 0 271.449 1.153 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCn2cncc2C1)[NH2+]C/C=C/Cl ZINC001491506032 936925990 /nfs/dbraw/zinc/92/59/90/936925990.db2.gz AXCQBKHCCJMVHY-OURHSOLNSA-N 2 0 296.802 1.292 10 0 CDAERP CCN(CC[NH2+]C[C@@H]1CC[C@@H](C)O1)C(=O)C[NH+]1CCCC1 ZINC001273752020 925213419 /nfs/dbraw/zinc/21/34/19/925213419.db2.gz CSJDPFSQLWSECX-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001433663029 925769268 /nfs/dbraw/zinc/76/92/68/925769268.db2.gz CSLKIXATYMSJNZ-ZFWWWQNUSA-N 2 0 281.444 1.659 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001433663013 925769920 /nfs/dbraw/zinc/76/99/20/925769920.db2.gz CSLKIXATYMSJNZ-HIFRSBDPSA-N 2 0 281.444 1.659 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]C(C)C ZINC001495005258 926629745 /nfs/dbraw/zinc/62/97/45/926629745.db2.gz JXGGWBFFWGMCTB-OLZOCXBDSA-N 2 0 255.406 1.364 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001488873294 926745225 /nfs/dbraw/zinc/74/52/25/926745225.db2.gz SWLROTDGQOSHHU-RBSFLKMASA-N 2 0 281.444 1.613 10 0 CDAERP CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001488966080 926762507 /nfs/dbraw/zinc/76/25/07/926762507.db2.gz NAJPQXPCCYSSML-SOUVJXGZSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@H](F)CC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001411003690 926878760 /nfs/dbraw/zinc/87/87/60/926878760.db2.gz ZDSQVZPTOXHMMW-QWHCGFSZSA-N 2 0 287.423 1.513 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+][C@@H](C)COC)C(C)(C)C1 ZINC001411097060 927008484 /nfs/dbraw/zinc/00/84/84/927008484.db2.gz JBKHXVUFYJILQA-KBPBESRZSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)CC[NH+]1CCC2(C[C@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001490599685 927249624 /nfs/dbraw/zinc/24/96/24/927249624.db2.gz SZXLOUHHNSNADC-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP COC(CC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)OC ZINC000851779312 927624996 /nfs/dbraw/zinc/62/49/96/927624996.db2.gz RBBZNDBADVUUJO-CQSZACIVSA-N 2 0 270.417 1.946 10 0 CDAERP CCC[N@H+](C)C[C@H]1CC[NH+](CCC(OC)OC)C1 ZINC000851797208 927631282 /nfs/dbraw/zinc/63/12/82/927631282.db2.gz IBXKCCMDQAIKIV-CYBMUJFWSA-N 2 0 258.406 1.659 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)C=C1CC[NH2+]CC1 ZINC000852862247 927897369 /nfs/dbraw/zinc/89/73/69/927897369.db2.gz XNJRKKWYYQGNLS-LBPRGKRZSA-N 2 0 253.390 1.143 10 0 CDAERP [NH3+][C@@H]1CN(C(=O)C2([NH2+]C3CC3)CCC2)C[C@H]1c1ccccc1 ZINC000852878927 927905068 /nfs/dbraw/zinc/90/50/68/927905068.db2.gz SLGRANCIYWSTRM-JKSUJKDBSA-N 2 0 299.418 1.614 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000852890813 927907030 /nfs/dbraw/zinc/90/70/30/927907030.db2.gz MDCWVERPVMWMTL-LSDHHAIUSA-N 2 0 277.412 1.287 10 0 CDAERP CCOC(=O)C1=CC[C@@H]([NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000863542151 929566703 /nfs/dbraw/zinc/56/67/03/929566703.db2.gz AJVZURJTTBKLOV-UXUKBGGZSA-N 2 0 266.385 1.745 10 0 CDAERP CC[C@H](C)C[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001274133685 931189000 /nfs/dbraw/zinc/18/90/00/931189000.db2.gz MROQDVAYGPBRLS-MFHOCJEASA-N 2 0 281.444 1.779 10 0 CDAERP C[C@]1(C[NH2+]CCCF)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001324811931 931325177 /nfs/dbraw/zinc/32/51/77/931325177.db2.gz ASQQVEFNDDUQJZ-OAHLLOKOSA-N 2 0 297.418 1.270 10 0 CDAERP O=C(NC/C=C/C[NH2+]CCF)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001274429140 931499525 /nfs/dbraw/zinc/49/95/25/931499525.db2.gz AQDVBMMPOCFRIW-FAVCQXFFSA-N 2 0 283.391 1.235 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[NH+](C)[C@@H](C(C)C)C2)C1 ZINC001412469290 932441531 /nfs/dbraw/zinc/44/15/31/932441531.db2.gz KXAHIAWXWFZXBT-JKSUJKDBSA-N 2 0 295.471 1.907 10 0 CDAERP CN(CCC[NH2+]CCF)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001276053295 932475994 /nfs/dbraw/zinc/47/59/94/932475994.db2.gz VOFMDTOAXDHPFK-ZDUSSCGKSA-N 2 0 273.396 1.268 10 0 CDAERP C[NH+](C)CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)C1 ZINC001412593639 932542382 /nfs/dbraw/zinc/54/23/82/932542382.db2.gz JCIQXENSIBYCKM-ZFWWWQNUSA-N 2 0 279.428 1.413 10 0 CDAERP c1cn(CC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)cn1 ZINC000925507930 932894928 /nfs/dbraw/zinc/89/49/28/932894928.db2.gz DAULAULIOVXADZ-GJZGRUSLSA-N 2 0 262.401 1.641 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCNC(=O)c2ccco2)C1 ZINC000925519555 932898139 /nfs/dbraw/zinc/89/81/39/932898139.db2.gz SSYNRUIVBJZDQE-VXGBXAGGSA-N 2 0 279.384 1.505 10 0 CDAERP CC[C@H](O)CCC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925581755 932908931 /nfs/dbraw/zinc/90/89/31/932908931.db2.gz UQRYEQQIOIJNBJ-XUXIUFHCSA-N 2 0 254.418 1.904 10 0 CDAERP CC(C)(O)CC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925647611 932920921 /nfs/dbraw/zinc/92/09/21/932920921.db2.gz ZBIHJEVHIJGLDA-UONOGXRCSA-N 2 0 254.418 1.905 10 0 CDAERP C[C@@H](CCCCO)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925782094 932939208 /nfs/dbraw/zinc/93/92/08/932939208.db2.gz KWLQUINRZBZFPG-QWRGUYRKSA-N 2 0 250.333 1.372 10 0 CDAERP COC1(OC)CC[C@@H]1[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000926574059 933001054 /nfs/dbraw/zinc/00/10/54/933001054.db2.gz UFCQXVGLEOZSPM-OLZOCXBDSA-N 2 0 256.390 1.459 10 0 CDAERP CC(=O)NCCCCC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000930554451 933400675 /nfs/dbraw/zinc/40/06/75/933400675.db2.gz HLJXINSIAABEMC-OAHLLOKOSA-N 2 0 267.417 1.320 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)C1 ZINC001412847935 935056799 /nfs/dbraw/zinc/05/67/99/935056799.db2.gz GAJUAPLCNFMIDT-RRFJBIMHSA-N 2 0 281.444 1.706 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC001166876616 939646533 /nfs/dbraw/zinc/64/65/33/939646533.db2.gz SJXQQIRPVPJVOB-UONOGXRCSA-N 2 0 269.433 1.422 10 0 CDAERP CC[N@@H+]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001276609457 940426602 /nfs/dbraw/zinc/42/66/02/940426602.db2.gz XCCHWGDHBULBBE-QWHCGFSZSA-N 2 0 269.433 1.419 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)CCCCCF ZINC001329613033 940634960 /nfs/dbraw/zinc/63/49/60/940634960.db2.gz LCNZLHKJXBUNDH-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP CN(CC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)Cc1ccccc1 ZINC000405392491 940986262 /nfs/dbraw/zinc/98/62/62/940986262.db2.gz HEQPZDMYHYWRIE-JKSUJKDBSA-N 2 0 273.424 1.978 10 0 CDAERP CCN(CC[NH2+]CCCF)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001568743372 1169458712 /nfs/dbraw/zinc/45/87/12/1169458712.db2.gz HLRJNFIXDBIGHI-CHWSQXEVSA-N 2 0 273.396 1.124 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001362052281 970820986 /nfs/dbraw/zinc/82/09/86/970820986.db2.gz HBCSBXPMTKLIGF-KFWWJZLASA-N 2 0 283.460 1.811 10 0 CDAERP CCCCC[N@@H+]1CC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001276924183 941701864 /nfs/dbraw/zinc/70/18/64/941701864.db2.gz TWGIYJKJMLBAGK-KBPBESRZSA-N 2 0 269.433 1.707 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001649891506 1169472279 /nfs/dbraw/zinc/47/22/79/1169472279.db2.gz LUKWZQVOTPAFQU-JOGIVDDZSA-N 2 0 274.355 1.762 10 0 CDAERP C[C@H](F)CC[NH2+]CC[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001280297169 942428369 /nfs/dbraw/zinc/42/83/69/942428369.db2.gz RVFOKGUVCJBZPP-GJZGRUSLSA-N 2 0 299.434 1.659 10 0 CDAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001362116185 970904791 /nfs/dbraw/zinc/90/47/91/970904791.db2.gz ZNUCXXOZJQZAEG-XHSDSOJGSA-N 2 0 295.471 1.907 10 0 CDAERP CCOCCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001282413049 942708330 /nfs/dbraw/zinc/70/83/30/942708330.db2.gz QDKJQTDWDPGZRO-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH+](C)CC1CC1 ZINC001282411931 942709214 /nfs/dbraw/zinc/70/92/14/942709214.db2.gz LLLISGYNFVVRJU-GXTWGEPZSA-N 2 0 267.417 1.317 10 0 CDAERP CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001283043220 942810482 /nfs/dbraw/zinc/81/04/82/942810482.db2.gz HKEDEMALUZVIHP-AAVRWANBSA-N 2 0 267.417 1.221 10 0 CDAERP CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[NH+]1CCCC1 ZINC001283555679 942932092 /nfs/dbraw/zinc/93/20/92/942932092.db2.gz JMECOZVUCJPTJD-AWEZNQCLSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@H](CN(C)C(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CCCO ZINC001283611394 942946774 /nfs/dbraw/zinc/94/67/74/942946774.db2.gz BGJVBZQKBJWXBD-CQSZACIVSA-N 2 0 299.459 1.070 10 0 CDAERP CC[N@@H+]1CC[C@H]1C(=O)N1CCC(C[NH+](C)C(C)C)CC1 ZINC001362153202 970953239 /nfs/dbraw/zinc/95/32/39/970953239.db2.gz WQBWSBFJSCQUQC-HNNXBMFYSA-N 2 0 281.444 1.659 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001284242377 943128804 /nfs/dbraw/zinc/12/88/04/943128804.db2.gz MCRZFKDZXRWIRP-UONOGXRCSA-N 2 0 279.428 1.367 10 0 CDAERP COCCCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001277865117 943891200 /nfs/dbraw/zinc/89/12/00/943891200.db2.gz XOZJWHFJVYOAQQ-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)=CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001263930207 944034955 /nfs/dbraw/zinc/03/49/55/944034955.db2.gz BZGMDKLJBARZIQ-JKSUJKDBSA-N 2 0 293.455 1.923 10 0 CDAERP CC(C)[C@H](C(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12)[NH+](C)C ZINC001263995616 944058271 /nfs/dbraw/zinc/05/82/71/944058271.db2.gz HVZYAILNSILCPZ-AAVRWANBSA-N 2 0 267.417 1.029 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)CC[N@@H+]1CC ZINC001264071435 944073066 /nfs/dbraw/zinc/07/30/66/944073066.db2.gz GDAAMYOBSQYXCV-QWHCGFSZSA-N 2 0 255.406 1.316 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CCCCC[C@@H]([NH2+]CCO)C1 ZINC001264125268 944083953 /nfs/dbraw/zinc/08/39/53/944083953.db2.gz GILYFBADAYTSCT-OAHLLOKOSA-N 2 0 299.459 1.071 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)CC1CC(C)C1 ZINC001265127607 944240049 /nfs/dbraw/zinc/24/00/49/944240049.db2.gz FVUCAOMCMMMIOI-UYSNPLJNSA-N 2 0 295.471 1.955 10 0 CDAERP CC/C=C/CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001265484559 944406614 /nfs/dbraw/zinc/40/66/14/944406614.db2.gz HYTJFCYUFIGBGZ-NPONBVRISA-N 2 0 281.444 1.920 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]CC=C(C)C ZINC001277980958 944441060 /nfs/dbraw/zinc/44/10/60/944441060.db2.gz KVRYWZJLTRVQDW-HNNXBMFYSA-N 2 0 281.444 1.875 10 0 CDAERP CCC[N@H+](C)CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001265882150 944553921 /nfs/dbraw/zinc/55/39/21/944553921.db2.gz CAQMSDQJTCTNNF-UHFFFAOYSA-N 2 0 267.417 1.463 10 0 CDAERP C[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)CC1CC1 ZINC001265906474 944567330 /nfs/dbraw/zinc/56/73/30/944567330.db2.gz FJSZGRNMVSCNBS-AWEZNQCLSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC1=CCCCC1 ZINC001278017349 944589174 /nfs/dbraw/zinc/58/91/74/944589174.db2.gz JLCKILOSZUURRG-ZBFHGGJFSA-N 2 0 293.455 1.875 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H](C[NH2+]CCF)C1 ZINC001265986441 944615739 /nfs/dbraw/zinc/61/57/39/944615739.db2.gz GBRBRUAQTBABCV-KBPBESRZSA-N 2 0 285.407 1.268 10 0 CDAERP CC[NH2+]CCc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001266087860 944670777 /nfs/dbraw/zinc/67/07/77/944670777.db2.gz FCDDUAFKHCEDQA-MRXNPFEDSA-N 2 0 289.423 1.407 10 0 CDAERP CC[NH2+]CCc1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001266087859 944672384 /nfs/dbraw/zinc/67/23/84/944672384.db2.gz FCDDUAFKHCEDQA-INIZCTEOSA-N 2 0 289.423 1.407 10 0 CDAERP CC[N@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)C(C)C ZINC001266101161 944683667 /nfs/dbraw/zinc/68/36/67/944683667.db2.gz VTUWIFMXWFXBCN-CQSZACIVSA-N 2 0 269.433 1.565 10 0 CDAERP C[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC001261493136 946141888 /nfs/dbraw/zinc/14/18/88/946141888.db2.gz LJHUHZVWLWVQPB-UONOGXRCSA-N 2 0 267.417 1.352 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)C1 ZINC001362466134 971303623 /nfs/dbraw/zinc/30/36/23/971303623.db2.gz XZQJFIBEMMJVTD-KBXIAJHMSA-N 2 0 279.428 1.269 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@@H]1[NH+](CC)CC2 ZINC001278466268 948442494 /nfs/dbraw/zinc/44/24/94/948442494.db2.gz HIUAUSLOVIZBFJ-ZFWWWQNUSA-N 2 0 267.417 1.461 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC001362648316 971491773 /nfs/dbraw/zinc/49/17/73/971491773.db2.gz WFRHIKBYBNFPHY-QLFBSQMISA-N 2 0 281.444 1.659 10 0 CDAERP CC(C)CNC(=O)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC001257445017 948599681 /nfs/dbraw/zinc/59/96/81/948599681.db2.gz SMNGUXUZDUIEJW-MJBXVCDLSA-N 2 0 267.417 1.221 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001362667188 971504352 /nfs/dbraw/zinc/50/43/52/971504352.db2.gz QHTHDSZKOBNYSQ-HUUCEWRRSA-N 2 0 283.460 1.907 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCCCCF)C1 ZINC001480197398 971623350 /nfs/dbraw/zinc/62/33/50/971623350.db2.gz UQARPDASUIMOMF-HZSPNIEDSA-N 2 0 285.407 1.457 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1cccnc1 ZINC001480461816 971741121 /nfs/dbraw/zinc/74/11/21/971741121.db2.gz CEFHDDWZPLBQHY-UMVBOHGHSA-N 2 0 290.411 1.016 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001480487804 971751322 /nfs/dbraw/zinc/75/13/22/971751322.db2.gz ZPLNVSVGTSDAEQ-UONOGXRCSA-N 2 0 269.433 1.611 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]CC1=CCCCC1 ZINC001480576902 971791044 /nfs/dbraw/zinc/79/10/44/971791044.db2.gz OQXIZETUSXPSBY-CQSZACIVSA-N 2 0 281.444 1.923 10 0 CDAERP CO[C@H](C)C[N@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001480742972 971855873 /nfs/dbraw/zinc/85/58/73/971855873.db2.gz UKPXUUQRSZWELH-CABCVRRESA-N 2 0 299.459 1.284 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCCC2)C1(C)C ZINC001363119355 971904294 /nfs/dbraw/zinc/90/42/94/971904294.db2.gz MONHNRZGYURNJX-OLZOCXBDSA-N 2 0 281.444 1.706 10 0 CDAERP CC[N@H+](CCCF)CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001493061814 971934137 /nfs/dbraw/zinc/93/41/37/971934137.db2.gz DXOINNNLRQNGID-OKILXGFUSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC001363194282 971962351 /nfs/dbraw/zinc/96/23/51/971962351.db2.gz BEHZJPYQQVBYHB-HLLBOEOZSA-N 2 0 295.471 1.248 10 0 CDAERP C[N@@H+]1C[C@@]23CN(CCN4CCCC4=O)C[C@]2(C1)CCCC3 ZINC001363854984 953921928 /nfs/dbraw/zinc/92/19/28/953921928.db2.gz OCKLVYXSVGLFMZ-CALCHBBNSA-N 2 0 291.439 1.417 10 0 CDAERP C[NH+](C)CC[C@H]1CCN(C(=O)CC[N@@H+]2CC[C@H](F)C2)C1 ZINC001363956587 954076979 /nfs/dbraw/zinc/07/69/79/954076979.db2.gz CWXWSJZPLGAQOP-KBPBESRZSA-N 2 0 285.407 1.221 10 0 CDAERP CC[NH+](CC)CC[C@H](C)NC(=O)N1CC[C@H]([N@H+](C)CC)C1 ZINC001364348756 954486781 /nfs/dbraw/zinc/48/67/81/954486781.db2.gz GUDMUMPGDBXDKN-GJZGRUSLSA-N 2 0 298.475 1.842 10 0 CDAERP C(CC1CC[NH+](CC2=NOCC2)CC1)C[NH+]1CCOCC1 ZINC001364377297 954521305 /nfs/dbraw/zinc/52/13/05/954521305.db2.gz ZTBSZOACLKIAKG-UHFFFAOYSA-N 2 0 295.427 1.587 10 0 CDAERP CC(C)[NH+]1CCN(CCC[N@@H+]2[C@H](C)CC[C@@H]2CO)CC1 ZINC001364502730 954698709 /nfs/dbraw/zinc/69/87/09/954698709.db2.gz OBPGZQMYSCGKOF-HZPDHXFCSA-N 2 0 283.460 1.248 10 0 CDAERP CCNC(=O)CC[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001363316244 972080058 /nfs/dbraw/zinc/08/00/58/972080058.db2.gz UPCVASJZRDXAHS-IYBDPMFKSA-N 2 0 279.428 1.320 10 0 CDAERP CC/C=C\CC[NH2+][C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001491570252 955309930 /nfs/dbraw/zinc/30/99/30/955309930.db2.gz ZYXQWOPRMAMJJD-GEXIGZQTSA-N 2 0 281.444 1.779 10 0 CDAERP CN(CC[NH2+]C/C=C\Cl)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001493589127 972086809 /nfs/dbraw/zinc/08/68/09/972086809.db2.gz DHDFTAMEVVEYJF-GHGQEBASSA-N 2 0 299.846 1.804 10 0 CDAERP C[C@H]([NH2+]CCC1CC1)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001421525980 955393153 /nfs/dbraw/zinc/39/31/53/955393153.db2.gz OTWZUBVZMPKHKE-DZGCQCFKSA-N 2 0 281.444 1.565 10 0 CDAERP CO[C@H](C)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001421647650 955451069 /nfs/dbraw/zinc/45/10/69/955451069.db2.gz QNQCRCPVQZBAIR-KFWWJZLASA-N 2 0 297.443 1.086 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001491858673 955473043 /nfs/dbraw/zinc/47/30/43/955473043.db2.gz KQVASNWIZJFOJT-ZDUSSCGKSA-N 2 0 264.373 1.121 10 0 CDAERP Cc1ncc(C[NH2+]C[C@H](C)CNC(=O)C[N@H+](C)C(C)C)o1 ZINC001421768110 955537655 /nfs/dbraw/zinc/53/76/55/955537655.db2.gz KUVWRVMQZXEJBA-LBPRGKRZSA-N 2 0 296.415 1.165 10 0 CDAERP CC1CC(C[NH2+]CCCN(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001569214383 1169723273 /nfs/dbraw/zinc/72/32/73/1169723273.db2.gz FACZJKPAVXCQPV-UYSNPLJNSA-N 2 0 295.471 1.955 10 0 CDAERP CC/C=C/CC[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001492215085 955711825 /nfs/dbraw/zinc/71/18/25/955711825.db2.gz LQGKBKVVUWTVBF-VBROQKIQSA-N 2 0 267.417 1.485 10 0 CDAERP CC(C)[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CC1CCCC1 ZINC001422125725 955757844 /nfs/dbraw/zinc/75/78/44/955757844.db2.gz XHTLXKJCPAKCMN-HNNXBMFYSA-N 2 0 283.460 1.859 10 0 CDAERP CC[C@@H](F)C[N@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001329533573 955973904 /nfs/dbraw/zinc/97/39/04/955973904.db2.gz XFUYGVLCNWPWFC-VXGBXAGGSA-N 2 0 261.385 1.123 10 0 CDAERP C[C@H](C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)n1ccnc1 ZINC001329569728 955991875 /nfs/dbraw/zinc/99/18/75/955991875.db2.gz OWTWTXJWAYXWDH-OCCSQVGLSA-N 2 0 262.357 1.046 10 0 CDAERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H](C)[NH2+]Cc1nccs1 ZINC001422428072 955996163 /nfs/dbraw/zinc/99/61/63/955996163.db2.gz IIXFUSIGWSNXIA-VXGBXAGGSA-N 2 0 296.440 1.222 10 0 CDAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCc1ccon1 ZINC001422495802 956087690 /nfs/dbraw/zinc/08/76/90/956087690.db2.gz LQTLMAJSWLDYEU-TZMCWYRMSA-N 2 0 294.399 1.142 10 0 CDAERP CC(C)OC[C@H](O)C[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001422501066 956098618 /nfs/dbraw/zinc/09/86/18/956098618.db2.gz NBDQQEGUWWUBAV-ZACQAIPSSA-N 2 0 296.455 1.580 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001422508190 956105684 /nfs/dbraw/zinc/10/56/84/956105684.db2.gz SESFOWVWUHWYLJ-KGLIPLIRSA-N 2 0 299.434 1.705 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001365807713 956380190 /nfs/dbraw/zinc/38/01/90/956380190.db2.gz JQWWUNVOKHVLPO-ARILJUKYSA-N 2 0 299.434 1.559 10 0 CDAERP CC(C)OCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001366086774 956553520 /nfs/dbraw/zinc/55/35/20/956553520.db2.gz WKMJVKIRVHJGTB-GASCZTMLSA-N 2 0 297.443 1.038 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]C/C=C\Cl)C1 ZINC001366104669 956564031 /nfs/dbraw/zinc/56/40/31/956564031.db2.gz UHPZMESSPLJTSD-RNZFLTOJSA-N 2 0 273.808 1.270 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccsc2)C1)[NH+](C)C ZINC001366131911 956588928 /nfs/dbraw/zinc/58/89/28/956588928.db2.gz GZQIVAUTIHEAJM-MGPQQGTHSA-N 2 0 295.452 1.825 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccsc2)C1)[NH+](C)C ZINC001366131908 956589013 /nfs/dbraw/zinc/58/90/13/956589013.db2.gz GZQIVAUTIHEAJM-IHRRRGAJSA-N 2 0 295.452 1.825 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H]2C[N@H+](CC3CC3)CC[C@@H]21 ZINC001366141687 956597019 /nfs/dbraw/zinc/59/70/19/956597019.db2.gz FBTGEWCBXXSTLW-HOTGVXAUSA-N 2 0 293.455 1.661 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CCc2cccs2)C1 ZINC001366154960 956606598 /nfs/dbraw/zinc/60/65/98/956606598.db2.gz KMXMZUFKXOSUQL-BETUJISGSA-N 2 0 295.452 1.479 10 0 CDAERP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cncs1 ZINC001423165652 956641543 /nfs/dbraw/zinc/64/15/43/956641543.db2.gz JDWWVUINQMXOHR-NEPJUHHUSA-N 2 0 296.440 1.031 10 0 CDAERP CC(C)[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001423356456 956734503 /nfs/dbraw/zinc/73/45/03/956734503.db2.gz QYCAODODIYPIEO-WBVHZDCISA-N 2 0 293.455 1.992 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]C/C=C\Cl)C2)CC[N@@H+]1C ZINC001366380181 956783764 /nfs/dbraw/zinc/78/37/64/956783764.db2.gz XTXUBRUXROIGEI-NUMCLADISA-N 2 0 299.846 1.660 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001366397448 956796230 /nfs/dbraw/zinc/79/62/30/956796230.db2.gz DBFREFBFXDFTKR-UONOGXRCSA-N 2 0 299.434 1.514 10 0 CDAERP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+](CC[C@@H]2CCCO2)C1 ZINC001423585624 956881221 /nfs/dbraw/zinc/88/12/21/956881221.db2.gz MNESOCYKEKRGPN-GOEBONIOSA-N 2 0 297.443 1.088 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001366689920 957118428 /nfs/dbraw/zinc/11/84/28/957118428.db2.gz PBJABOLVKBPJAX-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+](CC2CC2)C2CC2)CC[N@@H+]1C ZINC001366746133 957160894 /nfs/dbraw/zinc/16/08/94/957160894.db2.gz QTAARJVFGFFARO-JKSUJKDBSA-N 2 0 293.455 1.707 10 0 CDAERP CC[C@H](C(=O)N1CCO[C@@H](C[NH2+]C(C)C)C1)[NH+](CC)CC ZINC001424232157 957162794 /nfs/dbraw/zinc/16/27/94/957162794.db2.gz UCCILRCNCMSLHY-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP C([C@H]1C[C@]12CCOC2)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001331707162 957219139 /nfs/dbraw/zinc/21/91/39/957219139.db2.gz PLQLFUGXLCYROK-ZBFHGGJFSA-N 2 0 264.413 1.879 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@@H](C[N@H+](C)CC2CCC2)C1 ZINC001366865209 957236236 /nfs/dbraw/zinc/23/62/36/957236236.db2.gz KEDOGCMWLXUMKW-HNNXBMFYSA-N 2 0 281.444 1.519 10 0 CDAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CC1CCCC1 ZINC001424485784 957251271 /nfs/dbraw/zinc/25/12/71/957251271.db2.gz PUBODWWRNMDWMN-DZGCQCFKSA-N 2 0 281.444 1.565 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001317159252 957311298 /nfs/dbraw/zinc/31/12/98/957311298.db2.gz CPRCFMRVLBAZMI-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC001367008170 957333498 /nfs/dbraw/zinc/33/34/98/957333498.db2.gz GFKCOAJYCYZYBT-GJZGRUSLSA-N 2 0 279.428 1.461 10 0 CDAERP CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001317324936 957424041 /nfs/dbraw/zinc/42/40/41/957424041.db2.gz BPGUTOHLAQDRAD-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP CCCCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001317332054 957426283 /nfs/dbraw/zinc/42/62/83/957426283.db2.gz WPYYSBVGHMXVMN-HUUCEWRRSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001317390603 957449564 /nfs/dbraw/zinc/44/95/64/957449564.db2.gz WQHMRLSOSPTJEA-KGLIPLIRSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[N@H+](C)CC1CC(C)C1 ZINC001425058517 957459571 /nfs/dbraw/zinc/45/95/71/957459571.db2.gz PSWNEFVIDGLIDU-SLTAFYQDSA-N 2 0 293.455 1.565 10 0 CDAERP CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001425340949 957517858 /nfs/dbraw/zinc/51/78/58/957517858.db2.gz NGFINNUMLOHJFX-QKDCVEJESA-N 2 0 279.428 1.032 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[NH+](CCF)C[C@@H]2C1 ZINC001425384118 957524266 /nfs/dbraw/zinc/52/42/66/957524266.db2.gz QFTNFEJPAYNOKI-QLFBSQMISA-N 2 0 299.434 1.514 10 0 CDAERP CCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC001332444707 957567008 /nfs/dbraw/zinc/56/70/08/957567008.db2.gz VAEZGGFLQGWRNG-LSDHHAIUSA-N 2 0 295.471 1.955 10 0 CDAERP CCCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@H+](CC)C1 ZINC001317773593 957660157 /nfs/dbraw/zinc/66/01/57/957660157.db2.gz RYICWXPEGZHZOR-CQSZACIVSA-N 2 0 269.433 1.659 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001426136514 957706507 /nfs/dbraw/zinc/70/65/07/957706507.db2.gz JWJXSEKPWWXOCP-STQMWFEESA-N 2 0 289.439 1.807 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)(C)C ZINC001332808811 957854431 /nfs/dbraw/zinc/85/44/31/957854431.db2.gz OSHRCHGTVBTCRE-JHJVBQTASA-N 2 0 269.433 1.467 10 0 CDAERP CC/C=C/CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)CC ZINC001318223666 957981051 /nfs/dbraw/zinc/98/10/51/957981051.db2.gz INXHYJSIHDSFFE-MIVXPEEVSA-N 2 0 293.455 1.970 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001367449031 958020102 /nfs/dbraw/zinc/02/01/02/958020102.db2.gz PJYTXFPELSZJHR-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP CCCC[NH2+]C1CC(N(C)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001333140402 958101789 /nfs/dbraw/zinc/10/17/89/958101789.db2.gz GZNCKPUHZPYJOY-RUXDESIVSA-N 2 0 269.433 1.706 10 0 CDAERP CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]C(C)C ZINC001318555041 958170883 /nfs/dbraw/zinc/17/08/83/958170883.db2.gz LRXKFJDLRGSUTI-CYBMUJFWSA-N 2 0 269.433 1.754 10 0 CDAERP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)C[NH2+]C/C=C/Cl ZINC001319195083 958426130 /nfs/dbraw/zinc/42/61/30/958426130.db2.gz FIPYHCSRNJJKDL-NTYUQYKDSA-N 2 0 287.835 1.565 10 0 CDAERP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)C[NH2+]C/C=C/Cl ZINC001319237945 958450494 /nfs/dbraw/zinc/45/04/94/958450494.db2.gz LHZXVQHWEZAALY-MJRJWQSSSA-N 2 0 287.835 1.423 10 0 CDAERP C[C@H](C[NH2+]CCC(C)(C)C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001319435386 958557715 /nfs/dbraw/zinc/55/77/15/958557715.db2.gz CDSSZLMKTACEKO-KGLIPLIRSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)C[C@@H](C[NH2+]CCF)NC(=O)C1CC[NH+](C)CC1 ZINC001319635625 958665130 /nfs/dbraw/zinc/66/51/30/958665130.db2.gz XGDYBJGHIABLIG-AWEZNQCLSA-N 2 0 287.423 1.418 10 0 CDAERP CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001319749386 958712621 /nfs/dbraw/zinc/71/26/21/958712621.db2.gz FHGGGMPLMDEYMD-HOTGVXAUSA-N 2 0 293.455 1.709 10 0 CDAERP CC[C@H](C(=O)N1CCCC[C@H]1CC[NH2+]CCOC)[NH+](C)C ZINC001319766882 958716778 /nfs/dbraw/zinc/71/67/78/958716778.db2.gz NDVVTWMSKISRCW-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1CCC[N@H+](CCF)CC1)[NH+](C)C ZINC001368534113 958938428 /nfs/dbraw/zinc/93/84/28/958938428.db2.gz PPDGVBNDEFHVQI-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC(C)([NH2+]CCC2CC2)CC1 ZINC001368660237 959022116 /nfs/dbraw/zinc/02/21/16/959022116.db2.gz WZIKBNLFYZOTTN-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C(C)(C)C1 ZINC001368668618 959026951 /nfs/dbraw/zinc/02/69/51/959026951.db2.gz OFZRNABTHQKHPR-ZIAGYGMSSA-N 2 0 283.460 1.953 10 0 CDAERP CC[NH2+]CC[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001320464486 959188969 /nfs/dbraw/zinc/18/89/69/959188969.db2.gz PJKGBLWZQKQFEF-ZDUSSCGKSA-N 2 0 267.417 1.367 10 0 CDAERP CCN(CC[NH2+]CC1CCCC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001320892045 959441991 /nfs/dbraw/zinc/44/19/91/959441991.db2.gz XQKQEHYTBYBCQE-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@@H](F)CC[NH+]1CC([C@@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001369081972 959446906 /nfs/dbraw/zinc/44/69/06/959446906.db2.gz JPWKOONUUVXBKK-CHWSQXEVSA-N 2 0 299.434 1.655 10 0 CDAERP CC[C@H](F)C[NH2+]C/C=C/CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001321251531 959679563 /nfs/dbraw/zinc/67/95/63/959679563.db2.gz QXIWEQFPNMTOOZ-CTXXGXLOSA-N 2 0 285.407 1.338 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]CCF)[NH+]1CCCC1 ZINC001321756601 959933137 /nfs/dbraw/zinc/93/31/37/959933137.db2.gz OKNOSUUSRIAYKP-OLZOCXBDSA-N 2 0 273.396 1.171 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001322089893 960078656 /nfs/dbraw/zinc/07/86/56/960078656.db2.gz VTPQOWADSWKKKX-STQMWFEESA-N 2 0 257.422 1.467 10 0 CDAERP CO[C@H](C)C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001322505495 960242994 /nfs/dbraw/zinc/24/29/94/960242994.db2.gz KXPQCLXZHDXKKQ-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)[NH2+]CCCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001322548657 960248136 /nfs/dbraw/zinc/24/81/36/960248136.db2.gz FGJSCQBCINIMCP-AWEZNQCLSA-N 2 0 269.433 1.707 10 0 CDAERP CN(CCC[NH2+]C/C=C\Cl)C(=O)CCc1c[nH]cn1 ZINC001322539805 960253471 /nfs/dbraw/zinc/25/34/71/960253471.db2.gz IEBQGHTZEHNZHF-KXFIGUGUSA-N 2 0 284.791 1.533 10 0 CDAERP CCC[NH2+]CCC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001495445818 972503878 /nfs/dbraw/zinc/50/38/78/972503878.db2.gz QQEXFSJHFJJISL-UHFFFAOYSA-N 2 0 281.444 1.711 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001371477004 972525250 /nfs/dbraw/zinc/52/52/50/972525250.db2.gz WCLPBZQTCNTOPT-GJZGRUSLSA-N 2 0 283.460 1.857 10 0 CDAERP CCOCCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001324081530 961158051 /nfs/dbraw/zinc/15/80/51/961158051.db2.gz OEKQHJSOJNHQEK-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP CC[C@H](C(=O)N(CC)[C@@H]1CC[N@H+](CCCF)C1)[NH+](C)C ZINC001419159761 961448936 /nfs/dbraw/zinc/44/89/36/961448936.db2.gz MYMNEKKPIBFNTJ-ZIAGYGMSSA-N 2 0 287.423 1.609 10 0 CDAERP CCC(CC)C[NH2+]C[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001419738075 962053465 /nfs/dbraw/zinc/05/34/65/962053465.db2.gz PGVKXNGYRTXYFV-AWEZNQCLSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001419987468 962332185 /nfs/dbraw/zinc/33/21/85/962332185.db2.gz GCCOHOULQMRQPF-GJZGRUSLSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001419987773 962334118 /nfs/dbraw/zinc/33/41/18/962334118.db2.gz FOHQBJZJZYGTRI-ILXRZTDVSA-N 2 0 281.444 1.707 10 0 CDAERP C[N@H+](CCCF)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001420036309 962401280 /nfs/dbraw/zinc/40/12/80/962401280.db2.gz QHCMILFJPVKFHG-HUUCEWRRSA-N 2 0 299.434 1.753 10 0 CDAERP C[C@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)[NH2+]CC1CCC1 ZINC001420094431 962463504 /nfs/dbraw/zinc/46/35/04/962463504.db2.gz LGVPFSVPHJSKBJ-MRVWCRGKSA-N 2 0 290.411 1.798 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001436891611 962483634 /nfs/dbraw/zinc/48/36/34/962483634.db2.gz UYXVRHNEQIBRQW-LPWJVIDDSA-N 2 0 271.380 1.066 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)NC[C@H]1CCC[N@@H+]1CC ZINC001437665899 963111562 /nfs/dbraw/zinc/11/15/62/963111562.db2.gz ZQDXTLWVAUDXON-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP C[C@@H]([NH2+]CCF)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001437855218 963211157 /nfs/dbraw/zinc/21/11/57/963211157.db2.gz MCINTDQOJZIDJW-OCCSQVGLSA-N 2 0 285.407 1.124 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1CC1)C1CC1 ZINC001420747009 963218460 /nfs/dbraw/zinc/21/84/60/963218460.db2.gz VUWMSVLPNKMVFM-HOTGVXAUSA-N 2 0 293.455 1.754 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001437931419 963246537 /nfs/dbraw/zinc/24/65/37/963246537.db2.gz MJMKKHMYDYOALX-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001437950671 963253924 /nfs/dbraw/zinc/25/39/24/963253924.db2.gz XBDQSLYWBYFEDV-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP CCC[N@@H+]1CCC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001438030701 963286629 /nfs/dbraw/zinc/28/66/29/963286629.db2.gz MQLYMICLQZJEJH-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP O=C(C[NH+]1CCCC1)NCC1([NH2+]C/C=C/Cl)CC1 ZINC001421004925 963411203 /nfs/dbraw/zinc/41/12/03/963411203.db2.gz TWCQFPBDNOSELT-ZZXKWVIFSA-N 2 0 271.792 1.073 10 0 CDAERP CC(C)[C@H](C(=O)NCC1C[NH+](CC[C@H](C)F)C1)[NH+](C)C ZINC001421161491 963479729 /nfs/dbraw/zinc/47/97/29/963479729.db2.gz NBIJXGRMHUSCCL-GXTWGEPZSA-N 2 0 287.423 1.369 10 0 CDAERP CC[N@H+](C)CCC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001438773393 963546016 /nfs/dbraw/zinc/54/60/16/963546016.db2.gz MMHJRMLEUHBQHG-UHFFFAOYSA-N 2 0 293.455 1.663 10 0 CDAERP CC(C)[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC1CC1 ZINC001438829618 963564495 /nfs/dbraw/zinc/56/44/95/963564495.db2.gz PRHPPVIVQDFLPR-HIFRSBDPSA-N 2 0 281.444 1.469 10 0 CDAERP C[C@H](C[NH2+]Cc1cncs1)NC(=O)C1CC[NH+](C)CC1 ZINC001439149418 963657126 /nfs/dbraw/zinc/65/71/26/963657126.db2.gz OYGBUPGTGYXXBB-LLVKDONJSA-N 2 0 296.440 1.079 10 0 CDAERP COCC[N@@H+]1CC[C@](C)(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001439859508 963883648 /nfs/dbraw/zinc/88/36/48/963883648.db2.gz OFVHTCPQHQOAKG-HOCLYGCPSA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@H](C(=O)NC[C@@]1(C)CCC[N@H+](CCF)C1)[NH+](C)C ZINC001439948871 963903764 /nfs/dbraw/zinc/90/37/64/963903764.db2.gz LEBHLGLMAHCJPK-UKRRQHHQSA-N 2 0 287.423 1.514 10 0 CDAERP CCC(CC)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001440384202 964005862 /nfs/dbraw/zinc/00/58/62/964005862.db2.gz SLSILEYFVZRKPS-OAHLLOKOSA-N 2 0 299.459 1.191 10 0 CDAERP COC[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)CC1 ZINC001440399214 964017533 /nfs/dbraw/zinc/01/75/33/964017533.db2.gz QKYVOEOWZDTKCW-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCF)C2)C1 ZINC001440404391 964020714 /nfs/dbraw/zinc/02/07/14/964020714.db2.gz YYBPNDUMLWWVEK-HZSPNIEDSA-N 2 0 285.407 1.172 10 0 CDAERP CCC[N@H+](C)[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001441030840 964338946 /nfs/dbraw/zinc/33/89/46/964338946.db2.gz GYUXYHXXJLSIPH-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)CCC[NH+]1CC([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001441209389 964419207 /nfs/dbraw/zinc/41/92/07/964419207.db2.gz YIIIIYSWKFQOSU-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](C)OC)CC1(C)C ZINC001441254072 964438184 /nfs/dbraw/zinc/43/81/84/964438184.db2.gz CZTIJYNRTLGCTD-ZIAGYGMSSA-N 2 0 299.459 1.190 10 0 CDAERP O=C(CC[N@H+]1CC[C@H](F)C1)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC001441547058 964584075 /nfs/dbraw/zinc/58/40/75/964584075.db2.gz NHQKYESUHORXCH-BFHYXJOUSA-N 2 0 283.391 1.163 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CCCCN1C/C=C\Cl ZINC001441649324 964634262 /nfs/dbraw/zinc/63/42/62/964634262.db2.gz YYNPTTZWDTWMOS-VSKVDJIOSA-N 2 0 299.846 1.805 10 0 CDAERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CC1CCC1 ZINC001441917059 964786520 /nfs/dbraw/zinc/78/65/20/964786520.db2.gz JSAHAXHDRJWXOE-CYBMUJFWSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]CC1CCCC1 ZINC001441932273 964796889 /nfs/dbraw/zinc/79/68/89/964796889.db2.gz DUFALRZVXLQCRZ-CYBMUJFWSA-N 2 0 281.444 1.613 10 0 CDAERP Cc1ccc(C[NH2+][C@H](C)CNC(=O)C[N@H+](C)C(C)C)cc1 ZINC001442057748 964851074 /nfs/dbraw/zinc/85/10/74/964851074.db2.gz CARQMPPHMVXCTJ-OAHLLOKOSA-N 2 0 291.439 1.930 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)C1CC[NH+](CCC)CC1 ZINC001442228424 964945056 /nfs/dbraw/zinc/94/50/56/964945056.db2.gz VZRCLPFNIPJLFP-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)CC[NH2+][C@H](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001442324618 964984127 /nfs/dbraw/zinc/98/41/27/964984127.db2.gz XJWMPCJMTZBTML-HUUCEWRRSA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)CCC[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001442800144 965225644 /nfs/dbraw/zinc/22/56/44/965225644.db2.gz LOLQUZDITSBUMG-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001442806913 965229710 /nfs/dbraw/zinc/22/97/10/965229710.db2.gz GSKSMKWMNPWFOH-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001443216738 965405034 /nfs/dbraw/zinc/40/50/34/965405034.db2.gz GQEUURXJQRBXRS-CABCVRRESA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001443274775 965424663 /nfs/dbraw/zinc/42/46/63/965424663.db2.gz SRCTWKWVSZZXRZ-LSDHHAIUSA-N 2 0 281.444 1.422 10 0 CDAERP CC/C=C\CC[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001569426305 1169877342 /nfs/dbraw/zinc/87/73/42/1169877342.db2.gz MRJMDRCOWOZOTO-FOSCPCJNSA-N 2 0 293.455 1.923 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001445446481 966199577 /nfs/dbraw/zinc/19/95/77/966199577.db2.gz CXOIPILSPLNEKH-TZMCWYRMSA-N 2 0 287.423 1.561 10 0 CDAERP CC(C)C[NH2+]CC(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC001349420301 966344634 /nfs/dbraw/zinc/34/46/34/966344634.db2.gz ILXGKAFKVDOSEB-KBPBESRZSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@H](C[N@H+](C)CCC1CC1)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001445843964 966359860 /nfs/dbraw/zinc/35/98/60/966359860.db2.gz AJBYREXNPSVNPB-HIFRSBDPSA-N 2 0 281.444 1.565 10 0 CDAERP O=C(N[C@H](C[NH2+]CC1CC1)C1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001445959247 966401875 /nfs/dbraw/zinc/40/18/75/966401875.db2.gz YIXVEFQRBQGUSJ-HZPDHXFCSA-N 2 0 291.439 1.223 10 0 CDAERP CC[N@@H+]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C[C@@H]1C ZINC001446192690 966482101 /nfs/dbraw/zinc/48/21/01/966482101.db2.gz IGDQFEZIWLZFSJ-IHRRRGAJSA-N 2 0 267.417 1.269 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2C/C=C\Cl ZINC001447153431 966709432 /nfs/dbraw/zinc/70/94/32/966709432.db2.gz JJNPJGWBLLPGIT-CWIKABRRSA-N 2 0 299.846 1.756 10 0 CDAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CCC[N@H+](C)CCF ZINC001447370998 966769975 /nfs/dbraw/zinc/76/99/75/966769975.db2.gz BFWJZCLNYPHIOS-KBPBESRZSA-N 2 0 287.423 1.609 10 0 CDAERP CC(C)OCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001447630366 966834419 /nfs/dbraw/zinc/83/44/19/966834419.db2.gz HIHDULYMHOWMGZ-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP C[C@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C1C[NH+](CC2CC2)C1 ZINC001448321338 967073873 /nfs/dbraw/zinc/07/38/73/967073873.db2.gz WACWNFDOCSNPSK-XJKSGUPXSA-N 2 0 293.455 1.707 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001539828468 967110367 /nfs/dbraw/zinc/11/03/67/967110367.db2.gz LJINVSJSLADIGU-KFWWJZLASA-N 2 0 299.459 1.190 10 0 CDAERP Cc1oncc1C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001448979838 967321846 /nfs/dbraw/zinc/32/18/46/967321846.db2.gz KDNMXGYIJRGHTB-SMDDNHRTSA-N 2 0 294.399 1.014 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001449017806 967334376 /nfs/dbraw/zinc/33/43/76/967334376.db2.gz QJSFQIDMRFPOAD-CABCVRRESA-N 2 0 293.455 1.707 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CCC2CC2)C[C@H]1C ZINC001449018638 967338217 /nfs/dbraw/zinc/33/82/17/967338217.db2.gz RWHJZUDULBZTIY-UKRRQHHQSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H](F)CC[NH2+]C1CC(N(C)C(=O)CCC[NH+](C)C)C1 ZINC001449386346 967451325 /nfs/dbraw/zinc/45/13/25/967451325.db2.gz QTBYAIVCMMHBOM-HSBZDZAISA-N 2 0 287.423 1.655 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc3c[nH]nc3c2)C1 ZINC000848563530 969176373 /nfs/dbraw/zinc/17/63/73/969176373.db2.gz ULSSRXLGJBUECQ-XBXGTLAGSA-N 2 0 258.369 1.993 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](CNC2=[NH+]CCCCN2)C1 ZINC000849215776 969915125 /nfs/dbraw/zinc/91/51/25/969915125.db2.gz CITRZVQMIFLINB-CYBMUJFWSA-N 2 0 252.406 1.436 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)C1 ZINC001469333634 970241071 /nfs/dbraw/zinc/24/10/71/970241071.db2.gz RAXXNJKKFCDLPN-ZNMIVQPWSA-N 2 0 295.471 1.952 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC001470046758 970284915 /nfs/dbraw/zinc/28/49/15/970284915.db2.gz UXWJOZMVKJPWIF-MCIONIFRSA-N 2 0 282.432 1.062 10 0 CDAERP C[C@@H]1CCC[N@H+](CCNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001361648264 970380594 /nfs/dbraw/zinc/38/05/94/970380594.db2.gz VGGCLNVVNQOZSF-OWCLPIDISA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CC[NH+]1CC[C@H](F)C1 ZINC001361680145 970413191 /nfs/dbraw/zinc/41/31/91/970413191.db2.gz OKXFRQMCSYCVIJ-ILXRZTDVSA-N 2 0 299.434 1.657 10 0 CDAERP C[C@H](CNC(=O)c1cccc(CC[NH+](C)C)c1)[NH+](C)C ZINC001361700526 970437083 /nfs/dbraw/zinc/43/70/83/970437083.db2.gz CNRAVWTUISMBTP-CYBMUJFWSA-N 2 0 277.412 1.471 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC001361781851 970525128 /nfs/dbraw/zinc/52/51/28/970525128.db2.gz HOFZTTPMYXSKEK-CQSZACIVSA-N 2 0 299.459 1.143 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)NCC[N@H+](C)C(C)C)CC1 ZINC001361784882 970527977 /nfs/dbraw/zinc/52/79/77/970527977.db2.gz PEPWLHOMZVSGRD-UHFFFAOYSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21)[NH+](C)C ZINC001522676897 970532493 /nfs/dbraw/zinc/53/24/93/970532493.db2.gz HVZYAILNSILCPZ-DGAVXFQQSA-N 2 0 267.417 1.029 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH+]2CCC[C@@H](C)C2)C1 ZINC001361801891 970545759 /nfs/dbraw/zinc/54/57/59/970545759.db2.gz FLTCGCGOJALXTA-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001569646802 1169950926 /nfs/dbraw/zinc/95/09/26/1169950926.db2.gz SCKNUTGZEWJHLB-OAHLLOKOSA-N 2 0 267.417 1.485 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)CC1CC1 ZINC001372152919 972820470 /nfs/dbraw/zinc/82/04/70/972820470.db2.gz GBQNARUATYKMRW-HUUCEWRRSA-N 2 0 279.428 1.461 10 0 CDAERP CC1CCC(C[N@H+](C)CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001372225939 972855068 /nfs/dbraw/zinc/85/50/68/972855068.db2.gz XIKVDSSMMRZEFU-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]C/C=C/Cl ZINC001496641428 973005549 /nfs/dbraw/zinc/00/55/49/973005549.db2.gz FXXJNDYIRDLXOQ-GFUIURDCSA-N 2 0 287.835 1.565 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[NH+](C/C=C/Cl)C1 ZINC001372682446 973080708 /nfs/dbraw/zinc/08/07/08/973080708.db2.gz OHLOPSGHAUFFFL-DIECRNLCSA-N 2 0 287.835 1.517 10 0 CDAERP Cc1cnc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)o1 ZINC001497156836 973217701 /nfs/dbraw/zinc/21/77/01/973217701.db2.gz YCJVJXMUDNJOHV-WCQYABFASA-N 2 0 294.399 1.062 10 0 CDAERP CCC[NH2+][C@H](C)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001372992903 973219680 /nfs/dbraw/zinc/21/96/80/973219680.db2.gz HRGFEXWJAVCISP-HUUCEWRRSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC001417707596 973312226 /nfs/dbraw/zinc/31/22/26/973312226.db2.gz DHJZZWKRJRHCMZ-CQSZACIVSA-N 2 0 283.460 1.812 10 0 CDAERP CCN(CC[NH2+]CC=C(C)C)C(=O)C[N@H+](C)C1CCC1 ZINC001497401006 973331621 /nfs/dbraw/zinc/33/16/21/973331621.db2.gz ODBZQORVCOYHKR-UHFFFAOYSA-N 2 0 281.444 1.875 10 0 CDAERP CC[C@H](F)C[NH2+]CCN(CC)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001497456794 973355362 /nfs/dbraw/zinc/35/53/62/973355362.db2.gz YILQQKWJOWEFCS-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP CCN(CC[NH2+]C[C@@H](C)O)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001497465109 973357502 /nfs/dbraw/zinc/35/75/02/973357502.db2.gz UWPOJFUMULNFRD-CABCVRRESA-N 2 0 299.459 1.070 10 0 CDAERP CC[C@@H](F)C[NH2+]CCN(CC)C(=O)C12CC[NH+](CC1)C2 ZINC001497486618 973362977 /nfs/dbraw/zinc/36/29/77/973362977.db2.gz ODKQDRRZLRBYDO-CYBMUJFWSA-N 2 0 285.407 1.268 10 0 CDAERP CC(C)CC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001497584681 973422079 /nfs/dbraw/zinc/42/20/79/973422079.db2.gz BVDOJQRQFSMPEQ-XEVLESSRSA-N 2 0 281.444 1.635 10 0 CDAERP CC(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001418078661 973571280 /nfs/dbraw/zinc/57/12/80/973571280.db2.gz XZMWNNNHKMPCGH-BZUAXINKSA-N 2 0 295.471 2.000 10 0 CDAERP CO[C@@H](C)C[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001418330939 973753056 /nfs/dbraw/zinc/75/30/56/973753056.db2.gz YEVZICFCQGQCHM-KBPBESRZSA-N 2 0 297.443 1.086 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)C[NH+](C)CC)C1 ZINC001498366271 973861400 /nfs/dbraw/zinc/86/14/00/973861400.db2.gz PDICRRCJJGRQGI-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001498490245 973945478 /nfs/dbraw/zinc/94/54/78/973945478.db2.gz NOLMJRCVTFWHML-UONOGXRCSA-N 2 0 269.433 1.613 10 0 CDAERP CC[C@@H](F)C[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001498597663 973992722 /nfs/dbraw/zinc/99/27/22/973992722.db2.gz MMJZUQKHKLWZFS-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP O=C(N[C@@H](C[NH2+]CCCF)C1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001498759722 974051851 /nfs/dbraw/zinc/05/18/51/974051851.db2.gz JTQRPFOHXBYJHA-CABCVRRESA-N 2 0 297.418 1.172 10 0 CDAERP Cc1ncc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)s1 ZINC001374739494 974093676 /nfs/dbraw/zinc/09/36/76/974093676.db2.gz XCNXTHMNERYKKF-MFKMUULPSA-N 2 0 296.440 1.140 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccccn1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001374961491 974190610 /nfs/dbraw/zinc/19/06/10/974190610.db2.gz JWWGRYBBZSUBLK-KBPBESRZSA-N 2 0 290.411 1.018 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCC(F)(F)F)[NH+](C)C ZINC001375053499 974243035 /nfs/dbraw/zinc/24/30/35/974243035.db2.gz HOSMEKSJJLRGKP-WDEREUQCSA-N 2 0 297.365 1.716 10 0 CDAERP CC[C@H](C)C[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001375420479 974376061 /nfs/dbraw/zinc/37/60/61/974376061.db2.gz KGRALELKGNDQHR-DZGCQCFKSA-N 2 0 293.455 1.613 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001500374472 974428501 /nfs/dbraw/zinc/42/85/01/974428501.db2.gz MWHPBMYXCKNMLK-DZGCQCFKSA-N 2 0 287.423 1.514 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC2CCC2)C1 ZINC001375865359 974499103 /nfs/dbraw/zinc/49/91/03/974499103.db2.gz CHHDEWJMBNVOBX-RDJZCZTQSA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001501118653 974538138 /nfs/dbraw/zinc/53/81/38/974538138.db2.gz PHSJVCCOLRMBTK-GJZGRUSLSA-N 2 0 295.471 1.811 10 0 CDAERP CC[NH2+]CCN(Cc1ccccc1)C(=O)CC[NH+](C)C ZINC001501197925 974548663 /nfs/dbraw/zinc/54/86/63/974548663.db2.gz SHHXQYVMAQBPPH-UHFFFAOYSA-N 2 0 277.412 1.576 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CCC(C)C)C1 ZINC001376068535 974549620 /nfs/dbraw/zinc/54/96/20/974549620.db2.gz GPMCNDAOQWSJAZ-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]([NH2+]CCC(C)(C)C)C2CC2)C1 ZINC001376259679 974616751 /nfs/dbraw/zinc/61/67/51/974616751.db2.gz BPKVXLMSCHIBNO-LSDHHAIUSA-N 2 0 295.471 1.859 10 0 CDAERP CC[C@H](C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1)OC ZINC001376461718 974668300 /nfs/dbraw/zinc/66/83/00/974668300.db2.gz IIQMDCJTDHWSHP-VNHYZAJKSA-N 2 0 297.443 1.133 10 0 CDAERP Cc1nc(C[NH2+][C@H]2C[C@@H](NC(=O)CC[NH+](C)C)C2)cs1 ZINC001376475817 974671113 /nfs/dbraw/zinc/67/11/13/974671113.db2.gz FEWQSFBYIUOSFG-TXEJJXNPSA-N 2 0 296.440 1.140 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CCC1 ZINC001376775777 974763888 /nfs/dbraw/zinc/76/38/88/974763888.db2.gz RPJOEILYOVYQTD-ZIAGYGMSSA-N 2 0 299.434 1.705 10 0 CDAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1ccccc1 ZINC001376797356 974772651 /nfs/dbraw/zinc/77/26/51/974772651.db2.gz FLKOGIGKFVXHGU-GJZGRUSLSA-N 2 0 289.423 1.623 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]([NH+](C)CCCF)C2)C1 ZINC001376984600 974838533 /nfs/dbraw/zinc/83/85/33/974838533.db2.gz XMSJKQQLKQCIQS-HUUCEWRRSA-N 2 0 299.434 1.611 10 0 CDAERP Cc1cc(C[NH2+][C@H](C)CCNC(=O)CC[NH+](C)C)cs1 ZINC001377055985 974869799 /nfs/dbraw/zinc/86/97/99/974869799.db2.gz DSVPEAILQCFGEP-GFCCVEGCSA-N 2 0 297.468 1.993 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]([NH2+]C/C=C\Cl)C2)C1 ZINC001377238479 974941135 /nfs/dbraw/zinc/94/11/35/974941135.db2.gz ZPGCLUYLHLFEKX-VTUYONSCSA-N 2 0 299.846 1.661 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CCF)CC1 ZINC001505724544 974973720 /nfs/dbraw/zinc/97/37/20/974973720.db2.gz JOAPTSJNOGZAPW-OLZOCXBDSA-N 2 0 287.423 1.559 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH+](C)CC=C(C)C ZINC001506033453 975096034 /nfs/dbraw/zinc/09/60/34/975096034.db2.gz IBXDFOJPDBOIPV-CQSZACIVSA-N 2 0 269.433 1.731 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)CC1CCCC1 ZINC001506065461 975106272 /nfs/dbraw/zinc/10/62/72/975106272.db2.gz PJAQSKHURAAFIH-AWEZNQCLSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]C/C=C/Cl)C1 ZINC001506907801 975255521 /nfs/dbraw/zinc/25/55/21/975255521.db2.gz YQSCWGMWPHCPCY-SOICHRRHSA-N 2 0 287.835 1.564 10 0 CDAERP CC(C)[NH2+]CCC[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001506924422 975262340 /nfs/dbraw/zinc/26/23/40/975262340.db2.gz WETUAIGMSFWJHL-ZFWWWQNUSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)C[NH+](C)C)C1 ZINC001569755780 1169986378 /nfs/dbraw/zinc/98/63/78/1169986378.db2.gz FRBPQTKQZYYYSO-KGLIPLIRSA-N 2 0 269.433 1.421 10 0 CDAERP C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1C[NH+](CCCF)C1 ZINC001378535788 975382744 /nfs/dbraw/zinc/38/27/44/975382744.db2.gz TVRLXBHHGVSOQS-ZDUSSCGKSA-N 2 0 299.434 1.657 10 0 CDAERP CCCN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CC)C1 ZINC001404452665 975395672 /nfs/dbraw/zinc/39/56/72/975395672.db2.gz XQDMLHPUSRGOGZ-LSDHHAIUSA-N 2 0 281.444 1.661 10 0 CDAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]Cc1nccs1 ZINC001378650302 975429784 /nfs/dbraw/zinc/42/97/84/975429784.db2.gz RDNMUIJKWJTCJI-GFCCVEGCSA-N 2 0 296.440 1.081 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N[C@](C)(C[NH2+]CC2CCC2)C2CC2)C1 ZINC001401024498 975437077 /nfs/dbraw/zinc/43/70/77/975437077.db2.gz RUHIUWSPPZONSZ-RHSMWYFYSA-N 2 0 293.455 1.613 10 0 CDAERP CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001388640479 975529605 /nfs/dbraw/zinc/52/96/05/975529605.db2.gz GCTSBTHSKZFHBU-CQSZACIVSA-N 2 0 281.444 1.804 10 0 CDAERP CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001397583751 975646252 /nfs/dbraw/zinc/64/62/52/975646252.db2.gz UZMFLEIJQMSENT-CJNGLKHVSA-N 2 0 299.434 1.752 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001397670345 975675957 /nfs/dbraw/zinc/67/59/57/975675957.db2.gz ANQOEAOLRVWXAV-JYJNAYRXSA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001379128877 975678702 /nfs/dbraw/zinc/67/87/02/975678702.db2.gz YVOMMCAWBKYAGC-CABCVRRESA-N 2 0 283.460 1.905 10 0 CDAERP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]C/C=C\Cl ZINC001379130645 975683833 /nfs/dbraw/zinc/68/38/33/975683833.db2.gz LCZXVTRGQQQYCD-SEXYQANYSA-N 2 0 287.835 1.516 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001379228291 975724086 /nfs/dbraw/zinc/72/40/86/975724086.db2.gz SPPVWBJOMDDCHL-CHWSQXEVSA-N 2 0 287.423 1.513 10 0 CDAERP C[C@H](C[NH2+]CC1CCC1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001379355288 975795071 /nfs/dbraw/zinc/79/50/71/975795071.db2.gz CNLKOHRZHIDDGZ-DOMZBBRYSA-N 2 0 279.428 1.223 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC001389455992 975840398 /nfs/dbraw/zinc/84/03/98/975840398.db2.gz GFKCOAJYCYZYBT-CABCVRRESA-N 2 0 279.428 1.461 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CCO[C@@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001405741175 975841601 /nfs/dbraw/zinc/84/16/01/975841601.db2.gz PAJKIDBLIMBYNX-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1cc(C)ns1 ZINC001379597325 975942709 /nfs/dbraw/zinc/94/27/09/975942709.db2.gz NLGIVSREGGTTPN-LBPRGKRZSA-N 2 0 298.456 1.388 10 0 CDAERP CC(C)[C@@H](C(=O)NC[C@H]([NH2+]CCF)C1CC1)[NH+]1CCCC1 ZINC001389684232 975952566 /nfs/dbraw/zinc/95/25/66/975952566.db2.gz HOVJBYHXRQLSMR-GJZGRUSLSA-N 2 0 299.434 1.561 10 0 CDAERP CCCN(C(=O)CC[NH+](C)C)C1CC[NH+](C[C@H](C)O)CC1 ZINC001398370721 975957160 /nfs/dbraw/zinc/95/71/60/975957160.db2.gz UPQJZIIMZTWQDJ-AWEZNQCLSA-N 2 0 299.459 1.022 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1[N@H+](CCF)CC2 ZINC001379634912 975974693 /nfs/dbraw/zinc/97/46/93/975974693.db2.gz RHBCWDCNTLWJPC-HIFRSBDPSA-N 2 0 285.407 1.411 10 0 CDAERP CN(CC[N@H+](C)CC1CC1)C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001406110037 976034532 /nfs/dbraw/zinc/03/45/32/976034532.db2.gz WUJWGLMSAWRQAZ-CVEARBPZSA-N 2 0 293.455 1.804 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CC2CC2)C(C)(C)C1 ZINC001379736256 976044196 /nfs/dbraw/zinc/04/41/96/976044196.db2.gz VFLXCIGQSMYPOU-AWEZNQCLSA-N 2 0 281.444 1.565 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC2CC2)C(C)(C)C1 ZINC001379736265 976045647 /nfs/dbraw/zinc/04/56/47/976045647.db2.gz VFLXCIGQSMYPOU-CQSZACIVSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnoc2C)C1)[NH+](C)C ZINC001390013387 976085547 /nfs/dbraw/zinc/08/55/47/976085547.db2.gz USIBLJQPBVJDQX-HZSPNIEDSA-N 2 0 294.399 1.060 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccsc1 ZINC001390302968 976214350 /nfs/dbraw/zinc/21/43/50/976214350.db2.gz GEVIBKSTLBEEKC-WCQYABFASA-N 2 0 281.425 1.437 10 0 CDAERP CC[C@@H](F)C[NH2+]C1CC(N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001380168413 976276378 /nfs/dbraw/zinc/27/63/78/976276378.db2.gz VBALTWNUCVGKHL-IYXRBSQSSA-N 2 0 299.434 1.655 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccncc1Cl ZINC001399050619 976312342 /nfs/dbraw/zinc/31/23/42/976312342.db2.gz XRFZYLRAHXAWOY-LLVKDONJSA-N 2 0 298.818 1.281 10 0 CDAERP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cccnc1 ZINC001399123538 976352333 /nfs/dbraw/zinc/35/23/33/976352333.db2.gz RTXDOJSMXZFEHE-UONOGXRCSA-N 2 0 290.411 1.018 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1cncc(F)c1 ZINC001390537638 976357042 /nfs/dbraw/zinc/35/70/42/976357042.db2.gz XLMVCZVAMRIEIK-LBPRGKRZSA-N 2 0 296.390 1.155 10 0 CDAERP CC(C)[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001380392580 976405637 /nfs/dbraw/zinc/40/56/37/976405637.db2.gz DAHLRQKMBGNXPC-RDJZCZTQSA-N 2 0 293.455 1.565 10 0 CDAERP CC(C)C[NH2+]C1(CNC(=O)CCC[NH+](C)C)CCOCC1 ZINC001380505403 976438853 /nfs/dbraw/zinc/43/88/53/976438853.db2.gz UWBHLKIKQMHSNS-UHFFFAOYSA-N 2 0 299.459 1.239 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001406864452 976446760 /nfs/dbraw/zinc/44/67/60/976446760.db2.gz SCCAWMZNCFDKPM-INIZCTEOSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001402790749 976483412 /nfs/dbraw/zinc/48/34/12/976483412.db2.gz SEZCIKBXEYQOHM-HUUCEWRRSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@H](F)C[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001406964596 976494100 /nfs/dbraw/zinc/49/41/00/976494100.db2.gz TXPAAJNSPIQMOU-LBPRGKRZSA-N 2 0 285.407 1.315 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001407036884 976521698 /nfs/dbraw/zinc/52/16/98/976521698.db2.gz XWTBVUHFNGFEDM-NVXWUHKLSA-N 2 0 295.471 1.909 10 0 CDAERP CC[C@H](C)C[N@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001390958518 976621609 /nfs/dbraw/zinc/62/16/09/976621609.db2.gz DFHKNEQMCYBULL-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001407320198 976637830 /nfs/dbraw/zinc/63/78/30/976637830.db2.gz YMPPLBQFCITHBE-INMHGKMJSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001407320180 976638897 /nfs/dbraw/zinc/63/88/97/976638897.db2.gz YMPPLBQFCITHBE-BFYDXBDKSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001391069132 976670246 /nfs/dbraw/zinc/67/02/46/976670246.db2.gz LDZDMMINISRQFN-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1C/C=C\Cl ZINC001399875592 976712366 /nfs/dbraw/zinc/71/23/66/976712366.db2.gz WNUFAEPKEZCMBV-KMSCOEIWSA-N 2 0 273.808 1.271 10 0 CDAERP C[C@H](F)CC[N@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001381305133 976753703 /nfs/dbraw/zinc/75/37/03/976753703.db2.gz YXLUGXCAKBYUNC-KBPBESRZSA-N 2 0 287.423 1.609 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)CCCF ZINC001381313556 976758641 /nfs/dbraw/zinc/75/86/41/976758641.db2.gz NFANQMNGWHXEPQ-AWEZNQCLSA-N 2 0 287.423 1.609 10 0 CDAERP CCC[N@H+](C)[C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001381533396 976897408 /nfs/dbraw/zinc/89/74/08/976897408.db2.gz KVFCLYPAVHCBEM-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001391552774 976955420 /nfs/dbraw/zinc/95/54/20/976955420.db2.gz IXHKGNRMISAKMS-KKUMJFAQSA-N 2 0 283.460 1.809 10 0 CDAERP C[C@H](F)CC[NH2+][C@@H](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001408219692 976967827 /nfs/dbraw/zinc/96/78/27/976967827.db2.gz WKIFQKVWSMFIPV-STQMWFEESA-N 2 0 287.423 1.561 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCC(F)(F)F)C1 ZINC001400675928 977122374 /nfs/dbraw/zinc/12/23/74/977122374.db2.gz UCBQNGNOZYHFEP-SNVBAGLBSA-N 2 0 281.322 1.081 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CC1CCC1 ZINC001382066750 977151284 /nfs/dbraw/zinc/15/12/84/977151284.db2.gz JNIXEPMREQTTHK-XJKSGUPXSA-N 2 0 293.455 1.565 10 0 CDAERP CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@H+](C)CCC)C[C@@H]21 ZINC001403789397 977192297 /nfs/dbraw/zinc/19/22/97/977192297.db2.gz QDUDLBRSJFZKQM-OWCLPIDISA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]C/C=C/Cl ZINC001400803441 977197579 /nfs/dbraw/zinc/19/75/79/977197579.db2.gz LAMRMFOOHMRLSO-IVDJAJHCSA-N 2 0 299.846 1.565 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CC1CC1 ZINC001392058900 977206991 /nfs/dbraw/zinc/20/69/91/977206991.db2.gz IBGWTOVTDRCWJU-UKRRQHHQSA-N 2 0 281.444 1.706 10 0 CDAERP CC(C)[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CCF ZINC001392237474 977274834 /nfs/dbraw/zinc/27/48/34/977274834.db2.gz RGVKPCSSWFYHNM-STQMWFEESA-N 2 0 273.396 1.028 10 0 CDAERP CC(C)[NH+]1CCC([C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001403980046 977293121 /nfs/dbraw/zinc/29/31/21/977293121.db2.gz YYXLWRBMPFQBRI-CQSZACIVSA-N 2 0 295.471 1.953 10 0 CDAERP CN(CC[N@H+](C)CC1CC1)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001392318216 977408622 /nfs/dbraw/zinc/40/86/22/977408622.db2.gz HPYMJEQBOHTYLT-HZPDHXFCSA-N 2 0 295.471 1.907 10 0 CDAERP C[C@H](C[N@@H+](C)CC[C@H](C)F)NC(=O)C[NH+](C)C1CCC1 ZINC001392662303 977534787 /nfs/dbraw/zinc/53/47/87/977534787.db2.gz SYVKZXPTSPZCSH-QWHCGFSZSA-N 2 0 287.423 1.655 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@]2(C)CC[NH+](CC3CC3)C2)C1 ZINC001393119098 977712671 /nfs/dbraw/zinc/71/26/71/977712671.db2.gz UIAKAIZSCGEGHJ-CZUORRHYSA-N 2 0 279.428 1.319 10 0 CDAERP CC[NH2+][C@H](CCNC(=O)[C@@]12CC[N@H+](C1)CCC2)C(C)C ZINC001394411430 978154430 /nfs/dbraw/zinc/15/44/30/978154430.db2.gz BIDPQHQYAQLSOE-ZBFHGGJFSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@H](CNC(=O)[C@H](C)CC[NH+](C)C)C[NH+]1CCCC1 ZINC001626178878 1163398402 /nfs/dbraw/zinc/39/84/02/1163398402.db2.gz MTWRRIWDQVWJBO-ZIAGYGMSSA-N 2 0 269.433 1.422 10 0 CDAERP C[C@@H](O)C[N@H+](C)C[C@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001674496323 1173953833 /nfs/dbraw/zinc/95/38/33/1173953833.db2.gz WBDVIBGAWIJSMA-HUUCEWRRSA-N 2 0 299.459 1.022 10 0 CDAERP CC(C)[NH2+][C@@H](C)CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001676365433 1174216217 /nfs/dbraw/zinc/21/62/17/1174216217.db2.gz XMLRMSUKAMYKTR-KBPBESRZSA-N 2 0 269.433 1.706 10 0 CDAERP CCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1(C)C ZINC001677023814 1174309466 /nfs/dbraw/zinc/30/94/66/1174309466.db2.gz PMTTUHFTWNESPE-HUUCEWRRSA-N 2 0 295.471 1.955 10 0 CDAERP COCCCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H]1C ZINC001571468261 1170441084 /nfs/dbraw/zinc/44/10/84/1170441084.db2.gz ZZASGFXEABDJMX-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP [NH3+]CC1(CC[NH2+]Cc2ccc(N3CCCC3)nc2)CC1 ZINC000650712696 398155356 /nfs/dbraw/zinc/15/53/56/398155356.db2.gz QGQAEEAIFZWZMY-UHFFFAOYSA-N 2 0 274.412 1.900 10 0 CDAERP CCn1nccc1C[NH2+]Cc1ccccc1C[NH2+]C ZINC000650719663 398159601 /nfs/dbraw/zinc/15/96/01/398159601.db2.gz YMGSHXGTTXCKKP-UHFFFAOYSA-N 2 0 258.369 1.912 10 0 CDAERP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000650740859 398170822 /nfs/dbraw/zinc/17/08/22/398170822.db2.gz STZIJPBLVVKTCG-OWCLPIDISA-N 3 0 267.461 1.942 10 0 CDAERP CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccccc1C[NH2+]C ZINC000650720257 398160344 /nfs/dbraw/zinc/16/03/44/398160344.db2.gz JWLYISVFTHELLR-LBPRGKRZSA-N 2 0 284.425 1.319 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CC2CCCC2)CC[N@@H+]1C ZINC000232133838 342002506 /nfs/dbraw/zinc/00/25/06/342002506.db2.gz SOWCATULPLQSDR-YUELXQCFSA-N 2 0 254.418 2.000 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000094459918 342063691 /nfs/dbraw/zinc/06/36/91/342063691.db2.gz SEDBOTQXILDDKI-HZSPNIEDSA-N 2 0 265.401 1.071 10 0 CDAERP Cc1ccc(CCC[N@@H+]2CCN3CCOC[C@H]3C2)cn1 ZINC000354650558 365605742 /nfs/dbraw/zinc/60/57/42/365605742.db2.gz BEKVCFKHRUQECK-MRXNPFEDSA-N 2 0 275.396 1.339 10 0 CDAERP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3[NH2+]CCc4ccccc43)C[C@@H]12 ZINC000248591366 343995706 /nfs/dbraw/zinc/99/57/06/343995706.db2.gz HETUNUAEAMBSGU-MIGQKNRLSA-N 2 0 285.391 1.069 10 0 CDAERP Cn1nc(C[NH+]2CCCC2)c2c1C[N@H+](CC1CC1)CC2 ZINC000096084166 185091908 /nfs/dbraw/zinc/09/19/08/185091908.db2.gz WVEMSWODWNJQCK-UHFFFAOYSA-N 2 0 274.412 1.784 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](C)C1 ZINC000591871887 342649007 /nfs/dbraw/zinc/64/90/07/342649007.db2.gz VFBYLTHTJABKNT-STQMWFEESA-N 2 0 253.390 1.071 10 0 CDAERP COC(=O)c1ccc(CN2CC[C@@]3(C2)CCC[NH2+]C3)[nH]1 ZINC000592432597 342691559 /nfs/dbraw/zinc/69/15/59/342691559.db2.gz CIJMPMMJZDCBTL-HNNXBMFYSA-N 2 0 277.368 1.377 10 0 CDAERP COC(=O)[C@@H]1C[N@H+](C[C@H]([NH3+])CC(C)C)C[C@H]1C1CC1 ZINC000593322615 342788394 /nfs/dbraw/zinc/78/83/94/342788394.db2.gz NQYKFJMBLKLAOX-HZSPNIEDSA-N 2 0 268.401 1.491 10 0 CDAERP CC[C@@H](C(=O)Nc1cnn(CC[NH+](C)C)c1)[NH+](CC)CC ZINC000605426596 342185456 /nfs/dbraw/zinc/18/54/56/342185456.db2.gz BQGJJBXEEDEAIH-AWEZNQCLSA-N 2 0 295.431 1.504 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)CCc1cccc(F)c1 ZINC000629392402 361908897 /nfs/dbraw/zinc/90/88/97/361908897.db2.gz MUXSDVZGSNDPTQ-ZDUSSCGKSA-N 2 0 268.376 1.972 10 0 CDAERP C[C@H]1C[C@@H](NC(=O)NC[C@@H]2CCC[NH+]2C)C[N@@H+]1C1CC1 ZINC000126797743 342206229 /nfs/dbraw/zinc/20/62/29/342206229.db2.gz IIXRJIGTSZPFFN-SCRDCRAPSA-N 2 0 280.416 1.005 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCN1c2ccccc2C[C@@H]1C ZINC000422765867 536595244 /nfs/dbraw/zinc/59/52/44/536595244.db2.gz PMQSOLFJVIEQFX-GOEBONIOSA-N 2 0 291.439 1.781 10 0 CDAERP C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]CCOCCC[NH3+])C1 ZINC000629399516 361935215 /nfs/dbraw/zinc/93/52/15/361935215.db2.gz SOONDOQGMSNLKV-RDJZCZTQSA-N 2 0 291.439 1.777 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)NCC[NH+]1CCCC[C@@H]1C ZINC000339784413 361966229 /nfs/dbraw/zinc/96/62/29/361966229.db2.gz FXNUYMOGQWORPJ-GJZGRUSLSA-N 2 0 298.475 1.890 10 0 CDAERP C[NH+](C)Cc1cc(CNC(=O)NC/C=C\C[NH3+])ccc1F ZINC000669485075 539060496 /nfs/dbraw/zinc/06/04/96/539060496.db2.gz BJYLCURDKWKMEK-ARJAWSKDSA-N 2 0 294.374 1.201 10 0 CDAERP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)[C@H]1C ZINC000600710206 342243590 /nfs/dbraw/zinc/24/35/90/342243590.db2.gz QVXFNPNEGLAPTE-XDQVBPFNSA-N 2 0 280.412 1.838 10 0 CDAERP C[C@@H]([NH2+]C/C=C/C[NH2+][C@@H](C)[C@@H]1CCCO1)[C@@H]1CCCO1 ZINC000183130971 539143855 /nfs/dbraw/zinc/14/38/55/539143855.db2.gz GHADRDBZKZXJQV-OLWLZZTLSA-N 2 0 282.428 1.857 10 0 CDAERP COc1ccc(CN(C)CC[C@@H]([NH3+])C(C)C)cn1 ZINC000158336743 342282555 /nfs/dbraw/zinc/28/25/55/342282555.db2.gz RNGGDBPKSOLWLA-CYBMUJFWSA-N 2 0 251.374 1.895 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CCC[N@H+](C)CC(C)C ZINC000594947414 342981273 /nfs/dbraw/zinc/98/12/73/342981273.db2.gz CZVXLGAAQQTURQ-MGPQQGTHSA-N 2 0 270.417 1.752 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000594915981 342985550 /nfs/dbraw/zinc/98/55/50/342985550.db2.gz ZESNSVARLDCDKX-OIMNJJJWSA-N 2 0 266.385 1.258 10 0 CDAERP CSCC[C@@H](C)[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000595886777 343180725 /nfs/dbraw/zinc/18/07/25/343180725.db2.gz YTYIBGIFHHYEOG-NEPJUHHUSA-N 2 0 258.431 1.581 10 0 CDAERP C(C[N@H+](C1CC1)C1CC[NH2+]CC1)OC1CCOCC1 ZINC000629510837 362125046 /nfs/dbraw/zinc/12/50/46/362125046.db2.gz VLXRTZXBYOEJSK-UHFFFAOYSA-N 2 0 268.401 1.398 10 0 CDAERP COC[C@@H]([NH2+]CC1([NH3+])CCOCC1)C1CCCC1 ZINC000629522818 362142870 /nfs/dbraw/zinc/14/28/70/362142870.db2.gz BYUOOCHLHISROB-CYBMUJFWSA-N 2 0 256.390 1.289 10 0 CDAERP Cc1cc(Cl)cc(C)c1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000263252610 362396727 /nfs/dbraw/zinc/39/67/27/362396727.db2.gz QBQHNZKBDNBCMU-BXUZGUMPSA-N 2 0 268.788 1.627 10 0 CDAERP C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1CC(C)(C)C1 ZINC000459749265 282353502 /nfs/dbraw/zinc/35/35/02/282353502.db2.gz YJKCIAQSLKFWPJ-UHFFFAOYSA-N 2 0 293.455 1.850 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]([NH3+])C2)C[N@@H+]1C1CC1 ZINC000262641432 344695839 /nfs/dbraw/zinc/69/58/39/344695839.db2.gz KTEVYVKGKFNVFR-VOAKCMCISA-N 2 0 265.401 1.245 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000623067617 344710140 /nfs/dbraw/zinc/71/01/40/344710140.db2.gz JDGUMUFIJNVBAO-FZMZJTMJSA-N 2 0 276.384 1.702 10 0 CDAERP CC[NH+]1CCN([C@]2(C[NH3+])CCC[C@@H](C)[C@@H]2C)CC1 ZINC000085101381 178949325 /nfs/dbraw/zinc/94/93/25/178949325.db2.gz PROPVZZQJZJEDU-ILXRZTDVSA-N 2 0 253.434 1.778 10 0 CDAERP C[C@@H](CCNC(=O)C1(C[NH+](C)C)CCCCC1)[NH+](C)C ZINC000617756916 345955794 /nfs/dbraw/zinc/95/57/94/345955794.db2.gz QZHPBUWVPLWOAK-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[C@]1(C)C[C@@H]1C(=O)NCCN(C)CCC[NH+](C)C ZINC000617764682 345960990 /nfs/dbraw/zinc/96/09/90/345960990.db2.gz BZMAZXHKUYDGPF-ZBFHGGJFSA-N 2 0 283.460 1.668 10 0 CDAERP C[N@H+](CCCC[C@](C)([NH3+])CO)CC1CC[NH+](C)CC1 ZINC000085212931 178977430 /nfs/dbraw/zinc/97/74/30/178977430.db2.gz XCNRZYIZEWSWQF-HNNXBMFYSA-N 3 0 271.449 1.140 10 0 CDAERP CNC(=O)C1CCC([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623381696 346117016 /nfs/dbraw/zinc/11/70/16/346117016.db2.gz BHDHOMKKKCPNJL-RUXDESIVSA-N 2 0 281.444 1.754 10 0 CDAERP COCCOCCCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623387772 346121582 /nfs/dbraw/zinc/12/15/82/346121582.db2.gz VBFBUSZQPWALCN-AWEZNQCLSA-N 2 0 272.433 1.892 10 0 CDAERP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C3CC3)C2)CC1(C)C ZINC000623403353 346169284 /nfs/dbraw/zinc/16/92/84/346169284.db2.gz SHXZXXIORXRTDD-QWHCGFSZSA-N 2 0 251.418 1.686 10 0 CDAERP Cc1noc(CCC[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)n1 ZINC000623405590 346185080 /nfs/dbraw/zinc/18/50/80/346185080.db2.gz PJQUCHXRFCSPLI-LBPRGKRZSA-N 2 0 266.389 1.773 10 0 CDAERP [NH3+]C[C@](O)(C[N@@H+]1CC[C@H](c2ccccc2)C1)C1CC1 ZINC000085300010 179010560 /nfs/dbraw/zinc/01/05/60/179010560.db2.gz LZCWEQCOEQLWJE-HOCLYGCPSA-N 2 0 260.381 1.576 10 0 CDAERP CCC(CC)[C@@H](CNC(=O)[C@@H]1CCC[C@@H]1[NH3+])[NH+](C)C ZINC000085371143 179041201 /nfs/dbraw/zinc/04/12/01/179041201.db2.gz MKBFBFBHCTXDQJ-HZSPNIEDSA-N 2 0 269.433 1.596 10 0 CDAERP CS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000085376818 179044467 /nfs/dbraw/zinc/04/44/67/179044467.db2.gz VQDGZNVIMMDWPF-JSGCOSHPSA-N 2 0 282.409 1.307 10 0 CDAERP CC(C)c1nc2c(n1CC[NH+]1CCCC1)CC[NH2+]C2 ZINC000085570957 179095928 /nfs/dbraw/zinc/09/59/28/179095928.db2.gz GMOHKRYVRHOOFX-UHFFFAOYSA-N 2 0 262.401 1.748 10 0 CDAERP C[C@H]1CC[NH2+][C@@H](C(C)(C)C)C[N@@H+]1CCn1cccn1 ZINC000085624409 179106518 /nfs/dbraw/zinc/10/65/18/179106518.db2.gz NQJPAKUCDIDDCD-UONOGXRCSA-N 2 0 264.417 1.982 10 0 CDAERP Cc1nccn1CC[N@H+]1CC(C)(C)[NH2+]CC[C@@H]1C ZINC000085622532 179105540 /nfs/dbraw/zinc/10/55/40/179105540.db2.gz CVADRIHYAZRAHZ-LBPRGKRZSA-N 2 0 250.390 1.654 10 0 CDAERP Cc1ccc([C@H](CNC(=O)C2C[NH2+]C2)[NH+]2CCCC2)cc1 ZINC000263309895 362765416 /nfs/dbraw/zinc/76/54/16/362765416.db2.gz PBIHFCOMSFBNRF-INIZCTEOSA-N 2 0 287.407 1.468 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)[C@@H]1CCC[N@H+](C)C1 ZINC000085975136 179207741 /nfs/dbraw/zinc/20/77/41/179207741.db2.gz IESYAMWKPJDPAB-XQLPTFJDSA-N 2 0 254.418 1.857 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CN2CC[NH2+]C3(CCCC3)C2)C1 ZINC000086146513 179238510 /nfs/dbraw/zinc/23/85/10/179238510.db2.gz NEELLHWKRHXWTL-OAHLLOKOSA-N 2 0 265.445 1.935 10 0 CDAERP CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623478661 347418791 /nfs/dbraw/zinc/41/87/91/347418791.db2.gz TZUCHZSZDZNFBB-JHJVBQTASA-N 2 0 267.417 1.364 10 0 CDAERP CC(C)C[C@@H]1CN(CC2CC[NH+](C)CC2)CC[NH2+]1 ZINC000086145674 179237396 /nfs/dbraw/zinc/23/73/96/179237396.db2.gz SNSAJAICOVHJFZ-OAHLLOKOSA-N 2 0 253.434 1.648 10 0 CDAERP CCCC[C@H](C[NH3+])NC(=O)NCC1([NH3+])CCCCCC1 ZINC000418288594 370658140 /nfs/dbraw/zinc/65/81/40/370658140.db2.gz WLVMVPJDUHVBPI-CYBMUJFWSA-N 2 0 284.448 1.855 10 0 CDAERP C[N@@H+]1CCC[C@@H](N2CC[NH2+]C[C@@H]2c2ccccc2)C1 ZINC000086177290 179246208 /nfs/dbraw/zinc/24/62/08/179246208.db2.gz HBWSHYBSOZOJMO-HZPDHXFCSA-N 2 0 259.397 1.727 10 0 CDAERP C[C@H]1C[NH2+][C@@](C)(C2CC2)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086223935 179253217 /nfs/dbraw/zinc/25/32/17/179253217.db2.gz USWFSJGPMVOUOK-NWANDNLSSA-N 2 0 251.418 1.543 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+][C@@H](CO)C2CCOCC2)CC1(C)C ZINC000623489213 347601277 /nfs/dbraw/zinc/60/12/77/347601277.db2.gz VFKTZVNECFHWAB-KGLIPLIRSA-N 2 0 270.417 1.236 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)[C@H]2CCOC2)CC1(C)C ZINC000623511909 347610517 /nfs/dbraw/zinc/61/05/17/347610517.db2.gz LQVQXSZTKQTMOK-IHRRRGAJSA-N 2 0 270.417 1.094 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)C[C@@H]1CCC2(CCCC2)O1 ZINC000641819940 365912721 /nfs/dbraw/zinc/91/27/21/365912721.db2.gz JERMIBKWPMJIFX-AWEZNQCLSA-N 2 0 270.417 1.646 10 0 CDAERP C[C@H](CN[C@H](C)[C@@H]1CC[NH2+]C1)C[NH+]1CCCCC1 ZINC000400422977 365936428 /nfs/dbraw/zinc/93/64/28/365936428.db2.gz XQLHWTDVXFOONU-RBSFLKMASA-N 2 0 253.434 1.696 10 0 CDAERP [NH3+]C/C=C\CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000641862759 365947680 /nfs/dbraw/zinc/94/76/80/365947680.db2.gz QZBIVWQSUDEVHY-ARJAWSKDSA-N 2 0 280.416 1.161 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000614964561 348287732 /nfs/dbraw/zinc/28/77/32/348287732.db2.gz REXHDNQCACMBJZ-HNNXBMFYSA-N 2 0 293.455 1.805 10 0 CDAERP COCC[NH2+]CCCC[N@@H+]1CCN(C)C(C)(C)C1 ZINC000104140336 185908329 /nfs/dbraw/zinc/90/83/29/185908329.db2.gz ITGIIFZJLOGAFX-UHFFFAOYSA-N 2 0 257.422 1.029 10 0 CDAERP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000629536119 362950920 /nfs/dbraw/zinc/95/09/20/362950920.db2.gz DUDNAJIBQJMVOQ-VHRBIJSZSA-N 2 0 262.401 1.640 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CC[C@H](C)[NH2+]C2)[C@@H](C)C1 ZINC000629537433 362952758 /nfs/dbraw/zinc/95/27/58/362952758.db2.gz JGKSYKBGGAWHHP-NXOAAHMSSA-N 2 0 297.487 1.854 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000629537061 362952875 /nfs/dbraw/zinc/95/28/75/362952875.db2.gz IOBOFOIRHKQJKU-AWEZNQCLSA-N 2 0 282.359 1.994 10 0 CDAERP CC(C)[C@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)CC[NH2+]1 ZINC000621156658 350464601 /nfs/dbraw/zinc/46/46/01/350464601.db2.gz FPFSJVJIZVJITQ-CYBMUJFWSA-N 2 0 276.384 1.218 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)N[C@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1C ZINC000341184941 297257980 /nfs/dbraw/zinc/25/79/80/297257980.db2.gz SFLZYCODWDOIAG-IPYPFGDCSA-N 2 0 294.443 1.347 10 0 CDAERP CC(=O)N1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000621773107 350769175 /nfs/dbraw/zinc/76/91/75/350769175.db2.gz GDEMIJDOONDLMR-LXTVHRRPSA-N 2 0 265.401 1.070 10 0 CDAERP [NH3+]CC[C@H]([NH3+])c1ccccc1I ZINC000307200835 366015301 /nfs/dbraw/zinc/01/53/01/366015301.db2.gz CNDYYGJOQAZYKH-VIFPVBQESA-N 2 0 276.121 1.640 10 0 CDAERP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)CCO1 ZINC000629576346 363034665 /nfs/dbraw/zinc/03/46/65/363034665.db2.gz TYOXNBKKYUOUDI-KFWWJZLASA-N 2 0 284.444 1.626 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCC(=O)Nc1ccccc1)C2 ZINC000629592151 363080859 /nfs/dbraw/zinc/08/08/59/363080859.db2.gz AWLYLPNTLVYRCV-CALCHBBNSA-N 2 0 287.407 1.947 10 0 CDAERP C[N@H+](C[C@@H](O)CNC[C@H]1CC[NH+]1C1CCCCC1)C1CC1 ZINC000629601204 363157329 /nfs/dbraw/zinc/15/73/29/363157329.db2.gz AVNSNODIFPWSEV-SJORKVTESA-N 2 0 295.471 1.438 10 0 CDAERP C[NH+](C)CC1(CNC(=O)N[C@H]2CCCC[NH2+]C2)CCCC1 ZINC000333809786 363164893 /nfs/dbraw/zinc/16/48/93/363164893.db2.gz PKAHEIGBZIBZIR-AWEZNQCLSA-N 2 0 296.459 1.550 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1cnc2ccccn12 ZINC000629653554 363253516 /nfs/dbraw/zinc/25/35/16/363253516.db2.gz QAYXJJGCDXVAAT-UHFFFAOYSA-N 2 0 262.357 1.002 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000333947571 363254090 /nfs/dbraw/zinc/25/40/90/363254090.db2.gz VRAZHRPKRMQEJD-UONOGXRCSA-N 2 0 282.432 1.160 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1C ZINC000631239101 363305163 /nfs/dbraw/zinc/30/51/63/363305163.db2.gz RLDXITJKUOCBFI-SOUVJXGZSA-N 2 0 279.428 1.412 10 0 CDAERP COc1ccc2oc(C[NH2+]CCOCCC[NH3+])cc2c1 ZINC000629678757 363327707 /nfs/dbraw/zinc/32/77/07/363327707.db2.gz JVVBPWBQTUUQFC-UHFFFAOYSA-N 2 0 278.352 1.896 10 0 CDAERP CO[C@@H]1CCC[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000643543937 355996113 /nfs/dbraw/zinc/99/61/13/355996113.db2.gz IXGZDNZYCWVGAH-MNAZLIDISA-N 2 0 295.471 1.750 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCN2CCSCC2)[C@@H]2CCC[C@@H]21 ZINC000353519018 283136442 /nfs/dbraw/zinc/13/64/42/283136442.db2.gz LWLUYUGYGPHGMR-KKUMJFAQSA-N 2 0 283.485 1.498 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)[C@H]2CCC[C@@H]21 ZINC000453323705 283136452 /nfs/dbraw/zinc/13/64/52/283136452.db2.gz BHXXHSIQKDHZNL-ALYAQQCSSA-N 2 0 293.455 1.312 10 0 CDAERP C[N@@H+]1CC[C@H](NCC[NH+]2CCCCC2)[C@H]2CCC[C@@H]21 ZINC000367539068 283136505 /nfs/dbraw/zinc/13/65/05/283136505.db2.gz WCUUPMBBVQMGHC-PMPSAXMXSA-N 2 0 265.445 1.935 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C(N)=O)cc2)[C@@H]2CCC[C@H]21 ZINC000375782679 283139162 /nfs/dbraw/zinc/13/91/62/283139162.db2.gz MXXLYGNPHLJTNX-HRCADAONSA-N 2 0 287.407 1.748 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)CCOC2)[C@H]2CCC[C@@H]21 ZINC000353534701 283139173 /nfs/dbraw/zinc/13/91/73/283139173.db2.gz ZAQJUGKMOYBSGP-QPSCCSFWSA-N 2 0 252.402 1.875 10 0 CDAERP CO[C@H](C[NH+]1CCC([N@H+](C)CCCO)CC1)C1CCCC1 ZINC000659931586 412621297 /nfs/dbraw/zinc/62/12/97/412621297.db2.gz RDNKXHVZHRAVTL-QGZVFWFLSA-N 2 0 298.471 1.970 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CC[NH+](C3CCC3)CC2)CC[N@@H+]1C ZINC000336443848 356176099 /nfs/dbraw/zinc/17/60/99/356176099.db2.gz XGFUEBLGZYCYEG-KBPBESRZSA-N 2 0 279.428 1.413 10 0 CDAERP Cc1cc(C(C)C)nc(NCCN(C)CCC[NH+](C)C)n1 ZINC000631365092 356387215 /nfs/dbraw/zinc/38/72/15/356387215.db2.gz LSBYFFPQWBXWDV-UHFFFAOYSA-N 2 0 293.459 1.626 10 0 CDAERP C[NH+](C)[C@@H]1CCCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000211962100 356581746 /nfs/dbraw/zinc/58/17/46/356581746.db2.gz KIBXJQBMOUUZGB-QGZVFWFLSA-N 2 0 273.424 1.858 10 0 CDAERP O=C([C@@H]1C[C@]12CCC[NH2+]C2)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000655450285 538476480 /nfs/dbraw/zinc/47/64/80/538476480.db2.gz IWBZTJPXPNDODW-DLTWYDFYSA-N 2 0 291.439 1.367 10 0 CDAERP CC(C)[NH+]1CCC([NH2+]C[C@H](O)C[C@@](C)(O)C2CC2)CC1 ZINC000634698323 357304333 /nfs/dbraw/zinc/30/43/33/357304333.db2.gz IRJKNNWZPJHDMP-HZPDHXFCSA-N 2 0 284.444 1.361 10 0 CDAERP CC1(C)NC(=O)CC[C@@H]1[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000336454010 363583166 /nfs/dbraw/zinc/58/31/66/363583166.db2.gz JZXASQHUIDXNCL-RUXDESIVSA-N 2 0 279.428 1.650 10 0 CDAERP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000684377399 482780510 /nfs/dbraw/zinc/78/05/10/482780510.db2.gz LKVXQOMRWZIIGQ-BZUAXINKSA-N 2 0 283.460 1.417 10 0 CDAERP CC[NH+](CC)CCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000368619704 357916113 /nfs/dbraw/zinc/91/61/13/357916113.db2.gz RPHOOCWZPUSMGO-RBSFLKMASA-N 2 0 253.434 1.791 10 0 CDAERP COC[C@H](O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000127229175 358229086 /nfs/dbraw/zinc/22/90/86/358229086.db2.gz DMPFNYQXPRHXID-IAGOWNOFSA-N 2 0 292.423 1.448 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@H]1Cc3ccccc3C[NH2+]1)C2 ZINC000634749642 358236595 /nfs/dbraw/zinc/23/65/95/358236595.db2.gz BAYAAOSNLRSZKA-NXHRZFHOSA-N 2 0 299.418 1.159 10 0 CDAERP CC(C)[NH+](CCC[N@@H+](C[C@@H](C)O)C(C)C)C[C@H](C)O ZINC000343501941 316037993 /nfs/dbraw/zinc/03/79/93/316037993.db2.gz RLFGDTMCHXYIQO-GASCZTMLSA-N 2 0 274.449 1.559 10 0 CDAERP CC1CC[NH+](CCNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000040772536 358682554 /nfs/dbraw/zinc/68/25/54/358682554.db2.gz OBEILDGYEHYHAK-JYJNAYRXSA-N 2 0 293.455 1.755 10 0 CDAERP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2oc(C)nc2C)CC1 ZINC000628303357 358749138 /nfs/dbraw/zinc/74/91/38/358749138.db2.gz RHNIEUCBGBLYSQ-UHFFFAOYSA-N 2 0 294.443 1.797 10 0 CDAERP C[NH+](C)CCCC[NH2+]Cc1cnn(CC(F)F)c1 ZINC000292956714 359068618 /nfs/dbraw/zinc/06/86/18/359068618.db2.gz KAOCYAFYLIMNOL-UHFFFAOYSA-N 2 0 260.332 1.580 10 0 CDAERP c1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)nc1 ZINC000261887973 359078420 /nfs/dbraw/zinc/07/84/20/359078420.db2.gz GBDRLEUGRQLJHP-XHSDSOJGSA-N 2 0 275.396 1.371 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)N[C@@H](C)C[NH+](C)C)CC1 ZINC000358512050 359155838 /nfs/dbraw/zinc/15/58/38/359155838.db2.gz XZGZLPPQCWQOLY-AWEZNQCLSA-N 2 0 298.475 1.700 10 0 CDAERP [NH3+]C[C@@H]1CCN(C(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000334936505 359276321 /nfs/dbraw/zinc/27/63/21/359276321.db2.gz QJRRKVUPCFWUNZ-LBPRGKRZSA-N 2 0 268.405 1.028 10 0 CDAERP C[NH+](C)CCCC1CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC000347559601 359436914 /nfs/dbraw/zinc/43/69/14/359436914.db2.gz ACTWINBLSSQLAF-CQSZACIVSA-N 2 0 267.417 1.319 10 0 CDAERP COC(=O)c1cc(C[NH2+]CCCC[NH+](C)C)cn1C ZINC000347895484 359654321 /nfs/dbraw/zinc/65/43/21/359654321.db2.gz FOAAIVNWOCGDRO-UHFFFAOYSA-N 2 0 267.373 1.243 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000422889469 359666717 /nfs/dbraw/zinc/66/67/17/359666717.db2.gz PRHCQUIFEYVINZ-TUVASFSCSA-N 2 0 253.434 1.837 10 0 CDAERP CC(C)c1noc(CCC[NH2+][C@H]2CNCC[C@H]2C)n1 ZINC000422936935 359685890 /nfs/dbraw/zinc/68/58/90/359685890.db2.gz NGXIRQFPGNMYJS-NEPJUHHUSA-N 2 0 266.389 1.713 10 0 CDAERP CCOc1cccc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])c1 ZINC000423002913 359746729 /nfs/dbraw/zinc/74/67/29/359746729.db2.gz ZWJLMANWHZYEMO-IAOVAPTHSA-N 2 0 292.423 1.970 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](CCn2cncn2)CC1 ZINC000336801232 359844140 /nfs/dbraw/zinc/84/41/40/359844140.db2.gz PHZWVTJEMCYIKF-UHFFFAOYSA-N 2 0 265.405 1.332 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](CCN2CCOCC2)CC1 ZINC000336822528 359882813 /nfs/dbraw/zinc/88/28/13/359882813.db2.gz MCMQEEZTSOUODS-UHFFFAOYSA-N 2 0 283.460 1.372 10 0 CDAERP CN(CC[NH+](C)C)C(=O)c1ccccc1OCC[NH+](C)C ZINC000266945401 363696830 /nfs/dbraw/zinc/69/68/30/363696830.db2.gz CLUAOUGFGCNFFN-UHFFFAOYSA-N 2 0 293.411 1.261 10 0 CDAERP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCN(C)C(=O)C1 ZINC000424369216 360024045 /nfs/dbraw/zinc/02/40/45/360024045.db2.gz CJIIATBDFVANOW-NUEKZKHPSA-N 2 0 289.423 1.403 10 0 CDAERP C[NH2+]CCCC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088164386 360148202 /nfs/dbraw/zinc/14/82/02/360148202.db2.gz KDGNQAVPKILFQC-YHWZYXNKSA-N 2 0 253.390 1.118 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000335433702 360174660 /nfs/dbraw/zinc/17/46/60/360174660.db2.gz AETQUMZMDYZTOU-STQMWFEESA-N 2 0 282.432 1.382 10 0 CDAERP [NH3+][C@H](CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)C1CC1 ZINC000515004924 360419270 /nfs/dbraw/zinc/41/92/70/360419270.db2.gz OTTLIYFLDCNSJP-LSDHHAIUSA-N 2 0 294.443 1.384 10 0 CDAERP O=C(N[C@@H]1CCC[NH2+]C1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000335610214 360545597 /nfs/dbraw/zinc/54/55/97/360545597.db2.gz TUQGCACIEKSCAE-CABCVRRESA-N 2 0 294.443 1.398 10 0 CDAERP O[C@H](C[NH2+][C@@H]1CC[C@@H]1C1CCC1)C[NH+]1CCCC1 ZINC000337984844 360602225 /nfs/dbraw/zinc/60/22/25/360602225.db2.gz BKDDMPDNCJXIIE-RBSFLKMASA-N 2 0 252.402 1.611 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)NC2CC[NH+](C3CC3)CC2)C[NH2+]1 ZINC000626929317 360647029 /nfs/dbraw/zinc/64/70/29/360647029.db2.gz UFWIYDKSYCKMPG-DGCLKSJQSA-N 2 0 280.416 1.053 10 0 CDAERP CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000626929546 360647132 /nfs/dbraw/zinc/64/71/32/360647132.db2.gz YABLTBOIHCEGLU-DZGCQCFKSA-N 2 0 296.459 1.547 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[NH+](C(C)C)C(C)C ZINC000626920281 360636390 /nfs/dbraw/zinc/63/63/90/360636390.db2.gz VURHXNZZAAJUPW-UONOGXRCSA-N 2 0 284.448 1.545 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH+](C)C ZINC000349144569 360741172 /nfs/dbraw/zinc/74/11/72/360741172.db2.gz PNFWCMSAAQZHQS-OLZOCXBDSA-N 2 0 255.406 1.317 10 0 CDAERP CC[NH+](CC)CCCN(C)C[C@H]1CCS(=O)(=O)C1 ZINC000338302082 360830863 /nfs/dbraw/zinc/83/08/63/360830863.db2.gz AHIVFOITJOTCFD-CYBMUJFWSA-N 2 0 276.446 1.085 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC[N@@H+]1C ZINC000246698604 360922476 /nfs/dbraw/zinc/92/24/76/360922476.db2.gz WBAVFTNLHQDPOV-YVECIDJPSA-N 2 0 253.390 1.055 10 0 CDAERP C[C@H](CNC(=O)CC[C@H]1CCCC[N@@H+]1C)[NH+](C)C ZINC000350916579 361427218 /nfs/dbraw/zinc/42/72/18/361427218.db2.gz FIDCGCIHEKHBSH-CHWSQXEVSA-N 2 0 255.406 1.317 10 0 CDAERP COC(=O)[C@H](CC(C)C)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339434229 361496786 /nfs/dbraw/zinc/49/67/86/361496786.db2.gz QXXRARRMFVPWGH-GOEBONIOSA-N 2 0 282.428 1.992 10 0 CDAERP C[NH+](C)C1CN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000135010444 361678433 /nfs/dbraw/zinc/67/84/33/361678433.db2.gz CAUMGIRQHXBBIS-UHFFFAOYSA-N 2 0 287.407 1.668 10 0 CDAERP COCC[N@H+](C)CCCC1CC[NH+](CC(C)(C)O)CC1 ZINC000122049037 370717669 /nfs/dbraw/zinc/71/76/69/370717669.db2.gz JYQBPRIJFUXXSO-UHFFFAOYSA-N 2 0 286.460 1.828 10 0 CDAERP O=C(C[C@@H]1CCC[NH2+]1)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000167777973 364360091 /nfs/dbraw/zinc/36/00/91/364360091.db2.gz BOQPPKQRYDCMKA-LSDHHAIUSA-N 2 0 279.428 1.605 10 0 CDAERP CC(C)C[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000373040518 364564608 /nfs/dbraw/zinc/56/46/08/364564608.db2.gz SFKDQCMFDGVINA-CABCVRRESA-N 2 0 281.444 1.837 10 0 CDAERP CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000640955552 364780330 /nfs/dbraw/zinc/78/03/30/364780330.db2.gz YZQUWLKPDVFUCY-MGPQQGTHSA-N 2 0 282.432 1.156 10 0 CDAERP CC[C@@H](Cn1cncn1)[NH2+]CCC[NH+]1CCCC1 ZINC000353387216 365176036 /nfs/dbraw/zinc/17/60/36/365176036.db2.gz NTJFXQDAAIPNKG-ZDUSSCGKSA-N 2 0 251.378 1.132 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000516568733 366872423 /nfs/dbraw/zinc/87/24/23/366872423.db2.gz WDOBNUYAJXUHEC-ZNMIVQPWSA-N 2 0 296.459 1.772 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)N[C@@H]2CC[NH2+][C@H]2CC)CC1 ZINC000626960320 366922715 /nfs/dbraw/zinc/92/27/15/366922715.db2.gz PDXQKRZGAQCSRZ-LSDHHAIUSA-N 2 0 296.459 1.691 10 0 CDAERP CCC(C)(CC)[NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414711453 241346124 /nfs/dbraw/zinc/34/61/24/241346124.db2.gz RNJLRXQFOJORAM-LBPRGKRZSA-N 2 0 255.406 1.352 10 0 CDAERP CCOC(=O)C1CCC([NH2+]CC[C@H]2CCC[NH2+]2)CC1 ZINC000414913056 241454651 /nfs/dbraw/zinc/45/46/51/241454651.db2.gz ZKXVWDTXFPTSBE-ROKHWSDSSA-N 2 0 268.401 1.840 10 0 CDAERP Cc1ccncc1C[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000279968478 367210007 /nfs/dbraw/zinc/21/00/07/367210007.db2.gz QAFBFTDEEFVNCO-OAHLLOKOSA-N 2 0 276.428 1.506 10 0 CDAERP C[C@H]1CC[C@H](NC(=O)NCC2(C[NH+](C)C)CCCC2)C[NH2+]1 ZINC000627013026 367235896 /nfs/dbraw/zinc/23/58/96/367235896.db2.gz BWNQCEUYNMCJED-KBPBESRZSA-N 2 0 296.459 1.548 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)NCC[C@H]2CCC[N@H+](C)C2)C[NH2+]1 ZINC000627060199 367317330 /nfs/dbraw/zinc/31/73/30/367317330.db2.gz HHVYWZJRVIHGRW-MCIONIFRSA-N 2 0 282.432 1.158 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)C[NH2+]1 ZINC000627091931 367425927 /nfs/dbraw/zinc/42/59/27/367425927.db2.gz FEBPSMLQRJKCAC-SYQHCUMBSA-N 2 0 282.432 1.191 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000227117224 367386286 /nfs/dbraw/zinc/38/62/86/367386286.db2.gz AGAYICWWCFPXQB-YNEHKIRRSA-N 2 0 262.353 1.543 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]CC2(CCO)CCC2)[C@H](C)C1 ZINC000358290918 367577096 /nfs/dbraw/zinc/57/70/96/367577096.db2.gz FCOGXSJOFMEQJK-KGLIPLIRSA-N 2 0 254.418 1.859 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000627165625 367598699 /nfs/dbraw/zinc/59/86/99/367598699.db2.gz BCDCXAZWMHFJLY-ZQDZILKHSA-N 2 0 296.459 1.641 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000627166424 367601643 /nfs/dbraw/zinc/60/16/43/367601643.db2.gz DNOOSVUSKSNXPP-ZOBORPQBSA-N 2 0 280.416 1.005 10 0 CDAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCCC[NH+]1CCCCC1 ZINC000416868018 242195872 /nfs/dbraw/zinc/19/58/72/242195872.db2.gz DRLMPHOCENDIPA-UONOGXRCSA-N 2 0 282.432 1.160 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000417003291 242259795 /nfs/dbraw/zinc/25/97/95/242259795.db2.gz GYEOUVOURSVDIR-CHWSQXEVSA-N 2 0 270.421 1.016 10 0 CDAERP C[C@H]1CN(C)C[C@@H]1[NH2+]C1CCN(c2nccs2)CC1 ZINC000358400196 367658404 /nfs/dbraw/zinc/65/84/04/367658404.db2.gz LKLBUJZJXUHXAW-AAEUAGOBSA-N 2 0 280.441 1.652 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000627242551 367810332 /nfs/dbraw/zinc/81/03/32/367810332.db2.gz WUEOVUMMYBLTQJ-GXTWGEPZSA-N 2 0 282.432 1.253 10 0 CDAERP O[C@H](C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)CC1(O)CCC1 ZINC000528394314 367824204 /nfs/dbraw/zinc/82/42/04/367824204.db2.gz ZGGAHPOBHCHCFH-CVEARBPZSA-N 2 0 296.455 1.460 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)COCC(C)C)[C@H](C)C1 ZINC000125766501 368242848 /nfs/dbraw/zinc/24/28/48/368242848.db2.gz JCIKYJKUDZDLBP-PMPSAXMXSA-N 2 0 286.460 1.682 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2CCC[NH2+]C2)cc1 ZINC000418384504 243012064 /nfs/dbraw/zinc/01/20/64/243012064.db2.gz OVDGTTIUOPBXDP-SMDDNHRTSA-N 2 0 276.384 1.258 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]([NH3+])C2CC2)[C@@H](C)C1 ZINC000418498853 243146998 /nfs/dbraw/zinc/14/69/98/243146998.db2.gz MRFDZALRSWABHE-UBHSHLNASA-N 2 0 282.432 1.095 10 0 CDAERP CN(C(=O)N[C@H](C[NH3+])C1CCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418584585 243240822 /nfs/dbraw/zinc/24/08/22/243240822.db2.gz CFVOGDASUQYYNY-IZGVIRRGSA-N 2 0 294.443 1.428 10 0 CDAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000418603946 243265275 /nfs/dbraw/zinc/26/52/75/243265275.db2.gz XDNYVULHAYHOAK-KBPBESRZSA-N 2 0 282.432 1.112 10 0 CDAERP CCCC[N@H+](C)CC1CCN(C(=O)N[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000418706420 243359390 /nfs/dbraw/zinc/35/93/90/243359390.db2.gz SNHPPCZGERTELR-ZIAGYGMSSA-N 2 0 298.475 1.876 10 0 CDAERP c1ccc(N2CC[C@H](C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC000638185928 368643212 /nfs/dbraw/zinc/64/32/12/368643212.db2.gz FUBWCNBIAIBTPU-OAGGEKHMSA-N 2 0 271.408 1.664 10 0 CDAERP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCC[C@H]1C1(O)CC1 ZINC000567234568 370926020 /nfs/dbraw/zinc/92/60/20/370926020.db2.gz XWBWAIQATAFQHP-KBPBESRZSA-N 2 0 252.402 1.850 10 0 CDAERP CC(C)C[C@H](C[NH3+])NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000638536548 370927053 /nfs/dbraw/zinc/92/70/53/370927053.db2.gz UXNSHITUEUIOLS-HZSPNIEDSA-N 2 0 282.432 1.001 10 0 CDAERP C[C@@H]1CN(C)C[C@H]1[NH2+][C@H](CO)Cc1c[nH]c2ccccc12 ZINC000361492657 368849077 /nfs/dbraw/zinc/84/90/77/368849077.db2.gz KQPPKCKAJYMFPA-HACGYAERSA-N 2 0 287.407 1.611 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N(C)CCC[NH+](C)C ZINC000543669459 368944784 /nfs/dbraw/zinc/94/47/84/368944784.db2.gz SRLXDQPMTFKFSP-TZMCWYRMSA-N 2 0 282.432 1.062 10 0 CDAERP CN(CCC(=O)N1CCC[C@H]1C[NH+](C)C)c1cc[nH+]cc1 ZINC000543714248 368956175 /nfs/dbraw/zinc/95/61/75/368956175.db2.gz IKENNLDGORXFFY-HNNXBMFYSA-N 2 0 290.411 1.461 10 0 CDAERP CC[NH+]1CCC(NC(=O)N(C)CCC[NH+](C)C)CC1 ZINC000544636364 369081552 /nfs/dbraw/zinc/08/15/52/369081552.db2.gz ZGHZDOJBQCLQSA-UHFFFAOYSA-N 2 0 270.421 1.064 10 0 CDAERP C[C@@H]1CC[N@H+](CCNC(=O)c2cnccc2N(C)C)C1 ZINC000545382953 369212087 /nfs/dbraw/zinc/21/20/87/369212087.db2.gz CWKSURUWYAKVHE-GFCCVEGCSA-N 2 0 276.384 1.219 10 0 CDAERP [NH3+]Cc1cccc(-n2cc([C@@H]3CCC[NH2+]C3)nn2)c1 ZINC000630607235 369380869 /nfs/dbraw/zinc/38/08/69/369380869.db2.gz DUYQZUGMIVYSPD-GFCCVEGCSA-N 2 0 257.341 1.193 10 0 CDAERP [NH3+][C@@H](c1cn(C[C@@H]2CCC[NH2+]2)nn1)c1ccc(Cl)cc1 ZINC000630606124 369388385 /nfs/dbraw/zinc/38/83/85/369388385.db2.gz UDDQUGWUGKPGDL-GXTWGEPZSA-N 2 0 291.786 1.732 10 0 CDAERP CCC[C@](C)([NH3+])C(=O)NCC1([NH3+])CCCCCC1 ZINC000368451722 369481044 /nfs/dbraw/zinc/48/10/44/369481044.db2.gz UKOLHQULTAPPCP-ZDUSSCGKSA-N 2 0 255.406 1.672 10 0 CDAERP C[C@@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)C[NH+]1CCCC1 ZINC000170831928 369519924 /nfs/dbraw/zinc/51/99/24/369519924.db2.gz WAQPNMGOLXHCMA-UONOGXRCSA-N 2 0 282.432 1.064 10 0 CDAERP Cn1c2ccc(C[NH2+]CCCC[NH3+])cc2sc1=O ZINC000414899899 369528750 /nfs/dbraw/zinc/52/87/50/369528750.db2.gz GWMMYOAEXOUZHW-UHFFFAOYSA-N 2 0 265.382 1.429 10 0 CDAERP C(CC[NH+]1CCOCC1)C[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638370890 369554543 /nfs/dbraw/zinc/55/45/43/369554543.db2.gz OMBKXNNOFXNLPW-QDMKHBRRSA-N 2 0 252.402 1.735 10 0 CDAERP CN(CC[N@H+](C)C1CC1)C(=O)Cn1cnc2c1CCCC2 ZINC000547779925 369639512 /nfs/dbraw/zinc/63/95/12/369639512.db2.gz XATAPEOMDLCECV-UHFFFAOYSA-N 2 0 290.411 1.315 10 0 CDAERP COc1ncc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(C)n1 ZINC000369054859 369676058 /nfs/dbraw/zinc/67/60/58/369676058.db2.gz MYOOAWBDPSLLKK-HIFRSBDPSA-N 2 0 290.411 1.710 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)CCC2C[NH2+]C2)C1 ZINC000638401154 369752293 /nfs/dbraw/zinc/75/22/93/369752293.db2.gz PKNGTFTZBVVSQE-CYBMUJFWSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)[C@H]1C[C@H]1C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000548185862 369781328 /nfs/dbraw/zinc/78/13/28/369781328.db2.gz QKSCLOWWDVIBEP-ZIAGYGMSSA-N 2 0 269.433 1.230 10 0 CDAERP O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCN(C2CC2)CC1 ZINC000369776475 369876784 /nfs/dbraw/zinc/87/67/84/369876784.db2.gz AOAGVECBUAVBCF-DZGCQCFKSA-N 2 0 292.427 1.103 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+]3CCC[C@@H]3C2)CC[N@@H+]1C ZINC000630762907 369981100 /nfs/dbraw/zinc/98/11/00/369981100.db2.gz QCVGZTPJYHPLKP-LJISPDSOSA-N 2 0 279.428 1.460 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000139363962 370072617 /nfs/dbraw/zinc/07/26/17/370072617.db2.gz RHRKYCONWPPJLK-AWEZNQCLSA-N 2 0 282.432 1.253 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000249985152 370189419 /nfs/dbraw/zinc/18/94/19/370189419.db2.gz SDPBUOCWROHAAL-XGUBFFRZSA-N 2 0 281.444 1.754 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000418231048 370310919 /nfs/dbraw/zinc/31/09/19/370310919.db2.gz FPAMVHXVPMAARJ-SDDRHHMPSA-N 2 0 291.399 1.084 10 0 CDAERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)CC1 ZINC000566120439 370616451 /nfs/dbraw/zinc/61/64/51/370616451.db2.gz KQRKWUGNDCMRCR-GVDBMIGSSA-N 2 0 295.471 1.153 10 0 CDAERP O=C1CCCN1CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422770237 245235830 /nfs/dbraw/zinc/23/58/30/245235830.db2.gz PXHYWBCGNGOJMQ-OWCLPIDISA-N 2 0 293.455 1.899 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(OC)cc1C ZINC000573355341 371514067 /nfs/dbraw/zinc/51/40/67/371514067.db2.gz RVWBYDSMMUMQBM-AWEZNQCLSA-N 2 0 266.385 1.847 10 0 CDAERP CN(C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)[C@@H]1CCC[N@H+](C)C1 ZINC000377899682 371741149 /nfs/dbraw/zinc/74/11/49/371741149.db2.gz FBEQGXJRCPABFC-CJNGLKHVSA-N 2 0 299.434 1.752 10 0 CDAERP c1nc2c([nH]1)C[C@@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CC2 ZINC000577836485 372136308 /nfs/dbraw/zinc/13/63/08/372136308.db2.gz ADTUQDGENOEQOQ-AWEZNQCLSA-N 2 0 274.412 1.731 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@@H]1Cc1ccccc1 ZINC000422920134 245408765 /nfs/dbraw/zinc/40/87/65/245408765.db2.gz LONSGSGWSNHTDW-HRCADAONSA-N 2 0 262.397 1.961 10 0 CDAERP CC1=CC[NH+](CCNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000578246259 372366937 /nfs/dbraw/zinc/36/69/37/372366937.db2.gz MAYNFBOQBQCQRZ-CQSZACIVSA-N 2 0 265.401 1.096 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)NC2CC[NH+](C)CC2)CC1 ZINC000173393141 372481175 /nfs/dbraw/zinc/48/11/75/372481175.db2.gz ZYVXXLHPMYMAKU-UHFFFAOYSA-N 2 0 296.459 1.502 10 0 CDAERP C[C@H](C[NH3+])C(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000367609113 372650583 /nfs/dbraw/zinc/65/05/83/372650583.db2.gz VAMBVANFYXSIBE-OLZOCXBDSA-N 2 0 253.390 1.058 10 0 CDAERP CC(C)([NH3+])C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000040924171 372916356 /nfs/dbraw/zinc/91/63/56/372916356.db2.gz JVPXAVQAZIGVNX-UHFFFAOYSA-N 2 0 253.390 1.058 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000581486261 373035110 /nfs/dbraw/zinc/03/51/10/373035110.db2.gz CMOSJMORSCSGDU-CWRNSKLLSA-N 2 0 289.423 1.274 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH+](C)C)C2)CC[N@@H+]1C ZINC000630903837 373161405 /nfs/dbraw/zinc/16/14/05/373161405.db2.gz VXIKPJQIXQZHAE-HZSPNIEDSA-N 2 0 267.417 1.269 10 0 CDAERP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000423405428 245792624 /nfs/dbraw/zinc/79/26/24/245792624.db2.gz TXZBAVTWRDTWQE-UGQVUOCMSA-N 2 0 261.413 1.533 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH+](C)C ZINC000341307670 373591339 /nfs/dbraw/zinc/59/13/39/373591339.db2.gz SKFRABPQVVPRFC-OLZOCXBDSA-N 2 0 255.406 1.175 10 0 CDAERP COCCN(C)C[C@@H](O)C[N@H+](C)C[C@@H](C)C(C)(C)C ZINC000399537564 373560829 /nfs/dbraw/zinc/56/08/29/373560829.db2.gz XDUBHVUJFSFWFW-ZIAGYGMSSA-N 2 0 274.449 1.540 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]2CN(Cc3nc(CC4CC4)no3)C[C@@H]21 ZINC000631824136 373709278 /nfs/dbraw/zinc/70/92/78/373709278.db2.gz XJOKPEUISKFQNU-RWMBFGLXSA-N 2 0 276.384 1.581 10 0 CDAERP COc1ccc(CN2C[C@@H](C)[C@@H](C[NH3+])C2)cc1F ZINC000631844576 373938139 /nfs/dbraw/zinc/93/81/39/373938139.db2.gz YGWYERKMISTWPR-PWSUYJOCSA-N 2 0 252.333 1.861 10 0 CDAERP CC(C)C[C@@H](C[NH3+])NC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000418410187 374371401 /nfs/dbraw/zinc/37/14/01/374371401.db2.gz BXYUJHHFBFZHLT-JSGCOSHPSA-N 2 0 282.432 1.238 10 0 CDAERP CCOC(=O)C[N@H+](CCCn1ccnc1)C1CCC1 ZINC000342635150 374351923 /nfs/dbraw/zinc/35/19/23/374351923.db2.gz JNVCFLXQZUQFRI-UHFFFAOYSA-N 2 0 265.357 1.691 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000418581812 374415957 /nfs/dbraw/zinc/41/59/57/374415957.db2.gz VAWSMWPQZNQCFK-QLFBSQMISA-N 2 0 294.443 1.254 10 0 CDAERP CN1CC[C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1=O ZINC000424186557 246377223 /nfs/dbraw/zinc/37/72/23/246377223.db2.gz IKGNQWZFFYXXMM-IHRRRGAJSA-N 2 0 265.401 1.071 10 0 CDAERP CCC[C@@H]([NH3+])C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000038101756 374612413 /nfs/dbraw/zinc/61/24/13/374612413.db2.gz WDRQTLMTNJKHNL-CYBMUJFWSA-N 2 0 253.390 1.201 10 0 CDAERP C(CC1CC[NH2+]CC1)CN1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631889588 374614832 /nfs/dbraw/zinc/61/48/32/374614832.db2.gz HXXBFOMPNSPQTO-HZPDHXFCSA-N 2 0 265.445 1.840 10 0 CDAERP C[C@@H]1C[NH+]=C(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)N1 ZINC000306596351 375086467 /nfs/dbraw/zinc/08/64/67/375086467.db2.gz MOBBUPRLGICUBJ-IIAWOOMASA-N 2 0 286.423 1.977 10 0 CDAERP C[C@@H](CC(=O)N1CCC2(CC[NH2+]C2)CC1)[C@H]1CCC[NH2+]C1 ZINC000334376294 375100660 /nfs/dbraw/zinc/10/06/60/375100660.db2.gz DYOMORKLBMTNNQ-GJZGRUSLSA-N 2 0 293.455 1.614 10 0 CDAERP COC[C@H](O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000129748836 375228322 /nfs/dbraw/zinc/22/83/22/375228322.db2.gz KZVZSXZYQFZKSW-CQSZACIVSA-N 2 0 258.406 1.048 10 0 CDAERP C[C@@H](CNCc1nccn1C)C[NH+]1CCCCC1 ZINC000051923958 375589655 /nfs/dbraw/zinc/58/96/55/375589655.db2.gz MHHJXZMEURIFDA-ZDUSSCGKSA-N 2 0 250.390 1.632 10 0 CDAERP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000417144421 375729740 /nfs/dbraw/zinc/72/97/40/375729740.db2.gz VONQQRHSPGZMAR-KBUPBQIOSA-N 2 0 292.427 1.007 10 0 CDAERP C[C@@H](C(=O)N(C)C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194739816 375958550 /nfs/dbraw/zinc/95/85/50/375958550.db2.gz LGPRVTNPEDVDDP-ZDUSSCGKSA-N 2 0 267.417 1.271 10 0 CDAERP Cn1cnc(CC[NH2+]Cc2ccnn2CC2CCC2)c1 ZINC000631155552 375978113 /nfs/dbraw/zinc/97/81/13/375978113.db2.gz FOBLWLUCIQAGSJ-UHFFFAOYSA-N 2 0 273.384 1.749 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)CC[C@H]1CCCC[NH+]1C ZINC000431507214 376104341 /nfs/dbraw/zinc/10/43/41/376104341.db2.gz RQSJBCIWQBBMPO-HUUCEWRRSA-N 2 0 281.444 1.851 10 0 CDAERP CC[N@H+](C)[C@@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000245859571 376257990 /nfs/dbraw/zinc/25/79/90/376257990.db2.gz QBUKEYRVUXTRIH-HZPDHXFCSA-N 2 0 289.423 1.842 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000638975996 376322968 /nfs/dbraw/zinc/32/29/68/376322968.db2.gz RVOHKDWCSCULPG-NWDGAFQWSA-N 2 0 255.406 1.303 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)CC[C@@H]2CCC[NH2+]2)CC1 ZINC000638975569 376328614 /nfs/dbraw/zinc/32/86/14/376328614.db2.gz LONIMEQQQJRQHV-AWEZNQCLSA-N 2 0 281.444 1.851 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000417388102 376302022 /nfs/dbraw/zinc/30/20/22/376302022.db2.gz ICNJTTOSRLTFGL-RYUDHWBXSA-N 2 0 270.421 1.143 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000417395091 376552395 /nfs/dbraw/zinc/55/23/95/376552395.db2.gz TYNIQRGYKHJEGH-CYBMUJFWSA-N 2 0 282.432 1.112 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH2+]CCc2nc(C)no2)[C@@H](C)C1 ZINC000246385882 376651674 /nfs/dbraw/zinc/65/16/74/376651674.db2.gz KLPIQSVRRIAFSH-CMPLNLGQSA-N 2 0 252.362 1.240 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N2CC[C@](C)(C[NH3+])C2)CC1 ZINC000417399106 376925489 /nfs/dbraw/zinc/92/54/89/376925489.db2.gz YVFHFSBJMSNKRU-MRXNPFEDSA-N 2 0 296.459 1.489 10 0 CDAERP Cc1ccc([C@H]([NH3+])C(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000334656493 377229972 /nfs/dbraw/zinc/22/99/72/377229972.db2.gz ZBROAMSPFVNHEL-NEPJUHHUSA-N 2 0 283.322 1.108 10 0 CDAERP CC[N@H+](CCNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C)C(C)C ZINC000417453955 377242470 /nfs/dbraw/zinc/24/24/70/377242470.db2.gz BOJYWDKYGRWNMQ-STQMWFEESA-N 2 0 270.421 1.014 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](CC)C2)C12CCOCC2 ZINC000249047119 377384897 /nfs/dbraw/zinc/38/48/97/377384897.db2.gz WCEGPVPROJNFNU-OWCLPIDISA-N 2 0 296.455 1.892 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)NCC2(C)CC[NH2+]CC2)CC[N@@H+]1C ZINC000334936377 377706356 /nfs/dbraw/zinc/70/63/56/377706356.db2.gz VILYOBLCZZYPGL-ZIAGYGMSSA-N 2 0 296.459 1.500 10 0 CDAERP C[N@H+](CCNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000417512795 377757469 /nfs/dbraw/zinc/75/74/69/377757469.db2.gz ZEWPSJLNBFILGM-HNNXBMFYSA-N 2 0 294.443 1.397 10 0 CDAERP CC1(C)CN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC[C@H]1[NH3+] ZINC000261649347 377880359 /nfs/dbraw/zinc/88/03/59/377880359.db2.gz AJFKJJVVHHPYAI-HUUCEWRRSA-N 2 0 287.407 1.287 10 0 CDAERP O=C(c1ccc2c[nH+]cn2c1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000632863787 377941083 /nfs/dbraw/zinc/94/10/83/377941083.db2.gz JRESHQOBUOPNOU-DOMZBBRYSA-N 2 0 284.363 1.548 10 0 CDAERP Cc1ccsc1C[NH2+]CC1CC[NH+](CCO)CC1 ZINC000069370366 378066186 /nfs/dbraw/zinc/06/61/86/378066186.db2.gz MEQUXVXSIYRJBM-UHFFFAOYSA-N 2 0 268.426 1.850 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000193316667 378273920 /nfs/dbraw/zinc/27/39/20/378273920.db2.gz KGNXRAJEXJZQNG-NWDGAFQWSA-N 2 0 257.422 1.596 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C[C@H]1CSCC[NH2+]1 ZINC000251902137 412897799 /nfs/dbraw/zinc/89/77/99/412897799.db2.gz WMSZGKGYPLTEHG-RDBSUJKOSA-N 2 0 297.468 1.167 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@H]2CCCC[NH2+]2)cc1 ZINC000634269947 379277039 /nfs/dbraw/zinc/27/70/39/379277039.db2.gz KGNAGNZPHRYVKV-IUODEOHRSA-N 2 0 290.411 1.648 10 0 CDAERP C[N@H+](CCc1ccccc1)CC1CC[NH+](CCO)CC1 ZINC000069950523 379318341 /nfs/dbraw/zinc/31/83/41/379318341.db2.gz URSWGDLWJQCTJN-UHFFFAOYSA-N 2 0 276.424 1.865 10 0 CDAERP C[NH2+][C@H](C)Cc1noc(-c2oc(C[NH3+])cc2C)n1 ZINC000634556076 379670409 /nfs/dbraw/zinc/67/04/09/379670409.db2.gz GAHJSFCATBDRLQ-MRVPVSSYSA-N 2 0 250.302 1.247 10 0 CDAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccccn3)cc2)C1 ZINC000657594682 412921119 /nfs/dbraw/zinc/92/11/19/412921119.db2.gz KHZSXRJTIMSQFR-SFHVURJKSA-N 2 0 297.402 1.938 10 0 CDAERP CN(CC[NH+]1CCCCC1)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655931050 412941245 /nfs/dbraw/zinc/94/12/45/412941245.db2.gz GLRQSGPODMMSNR-JTQLQIEISA-N 2 0 296.337 1.003 10 0 CDAERP Cc1ccc(C(N)=[NH2+])c(OCC[NH+]2CCCCC2)n1 ZINC000043401670 184557532 /nfs/dbraw/zinc/55/75/32/184557532.db2.gz IZIHEEBKWXFIOV-UHFFFAOYSA-N 2 0 262.357 1.539 10 0 CDAERP CC(C)[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001662918938 1172615539 /nfs/dbraw/zinc/61/55/39/1172615539.db2.gz LUTSETZEXQABRN-UONOGXRCSA-N 2 0 269.433 1.752 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCC[NH2+]C1CC1 ZINC000669469245 483180765 /nfs/dbraw/zinc/18/07/65/483180765.db2.gz IHEXEBDIKBXUCP-BETUJISGSA-N 2 0 282.432 1.301 10 0 CDAERP CC(C)C[NH2+][C@H](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001662974401 1172622778 /nfs/dbraw/zinc/62/27/78/1172622778.db2.gz GXHYGXDVAMNNHK-UONOGXRCSA-N 2 0 269.433 1.469 10 0 CDAERP C[C@@H]1CCCN(C(=O)c2ccc(C[NH3+])cc2)[C@@H]1C[NH3+] ZINC000131911151 296380697 /nfs/dbraw/zinc/38/06/97/296380697.db2.gz MCTPFQCSNZVCDL-BXUZGUMPSA-N 2 0 261.369 1.345 10 0 CDAERP CC(C)[N@H+](C)C[C@@H](O)CN1CCC[C@H](OC(F)F)C1 ZINC000660233598 413001395 /nfs/dbraw/zinc/00/13/95/413001395.db2.gz CHBFJAXINRPVCC-NEPJUHHUSA-N 2 0 280.359 1.391 10 0 CDAERP CN(CC(C)(C)C[NH3+])C(=O)C1([NH2+]C2CC2)CCC1 ZINC000662426904 413006951 /nfs/dbraw/zinc/00/69/51/413006951.db2.gz HIMWNWWVCHPCGR-UHFFFAOYSA-N 2 0 253.390 1.104 10 0 CDAERP CCCCC[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001663258528 1172663177 /nfs/dbraw/zinc/66/31/77/1172663177.db2.gz VTERYCVXNOPDDM-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@]2([NH3+])CCC[C@@H](C)C2)CC1 ZINC000080927317 177731239 /nfs/dbraw/zinc/73/12/39/177731239.db2.gz RKELCNLYBZKWAS-CJNGLKHVSA-N 2 0 281.444 1.885 10 0 CDAERP C[NH+](C)[C@@H]1CCN(C(=O)c2cccn2C2CC[NH2+]CC2)C1 ZINC000062972393 413042327 /nfs/dbraw/zinc/04/23/27/413042327.db2.gz QIMQRBQONJQYAE-CQSZACIVSA-N 2 0 290.411 1.189 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NC[C@H](C)[NH+](C)C)[C@@H](C)C1 ZINC000459032125 285368060 /nfs/dbraw/zinc/36/80/60/285368060.db2.gz AQXARPXLXCGUNJ-MELADBBJSA-N 2 0 284.448 1.308 10 0 CDAERP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)o1 ZINC000646979485 390330704 /nfs/dbraw/zinc/33/07/04/390330704.db2.gz QXYBMAHUJMLABH-GXTWGEPZSA-N 2 0 293.411 1.849 10 0 CDAERP C(C[NH+]1CCCC1)C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000162058574 390670540 /nfs/dbraw/zinc/67/05/40/390670540.db2.gz QNRMMIWVXKBTOG-INIZCTEOSA-N 2 0 281.444 1.269 10 0 CDAERP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCCSCC2)CC1 ZINC000657831574 413047677 /nfs/dbraw/zinc/04/76/77/413047677.db2.gz BNUDCMZUDYLOAP-AWEZNQCLSA-N 2 0 285.501 1.888 10 0 CDAERP CC(C)C1CC[NH+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC1 ZINC000525703070 390941659 /nfs/dbraw/zinc/94/16/59/390941659.db2.gz DQKOTNHAOLLBHD-AWEZNQCLSA-N 2 0 295.427 1.044 10 0 CDAERP C[C@@H]1C[C@H](C[NH2+]Cc2ccc(CO)c(F)c2)CC[NH2+]1 ZINC000415092561 391015260 /nfs/dbraw/zinc/01/52/60/391015260.db2.gz TUYJVVRJKIIQGJ-DGCLKSJQSA-N 2 0 266.360 1.796 10 0 CDAERP Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647549457 390992726 /nfs/dbraw/zinc/99/27/26/390992726.db2.gz ANXKSTZKWOYHBR-RRFJBIMHSA-N 2 0 276.428 1.557 10 0 CDAERP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1CCC[NH+]1CCCCC1 ZINC000419345637 391058205 /nfs/dbraw/zinc/05/82/05/391058205.db2.gz UJWHLSAJIRXMIT-CVEARBPZSA-N 2 0 283.460 1.249 10 0 CDAERP OC[C@@H]1CCC[N@@H+]1CCCCNCc1cocn1 ZINC000192310917 391068080 /nfs/dbraw/zinc/06/80/80/391068080.db2.gz BPBUIQRLGZJVQY-ZDUSSCGKSA-N 2 0 253.346 1.001 10 0 CDAERP O=C(NC1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1)C1CCCCC1 ZINC000647882725 391138773 /nfs/dbraw/zinc/13/87/73/391138773.db2.gz VSNXKNRMWLMLMY-CQSZACIVSA-N 2 0 293.455 1.757 10 0 CDAERP C[C@H](Cc1ccoc1)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000648450476 391394343 /nfs/dbraw/zinc/39/43/43/391394343.db2.gz OBEKTNLFDKUKQQ-GDBMZVCRSA-N 2 0 291.439 1.969 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000110958938 391395484 /nfs/dbraw/zinc/39/54/84/391395484.db2.gz QQCXUKOUABCXFA-HNNXBMFYSA-N 2 0 297.443 1.040 10 0 CDAERP CS[C@H]1CC[C@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000425354368 391483189 /nfs/dbraw/zinc/48/31/89/391483189.db2.gz NQTJSLUUZPOKJE-KGLIPLIRSA-N 2 0 271.474 1.496 10 0 CDAERP COc1ccc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000527800166 391514924 /nfs/dbraw/zinc/51/49/24/391514924.db2.gz WRRAIXGJBYZMPQ-GJZGRUSLSA-N 2 0 275.396 1.849 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N1CCC(C[NH3+])CC1 ZINC000417532458 391642874 /nfs/dbraw/zinc/64/28/74/391642874.db2.gz KWJOTBNDOGJXRS-KBPBESRZSA-N 2 0 296.459 1.630 10 0 CDAERP C[N@H+]1C[C@@H]2C[NH+]([C@H]3Cc4ccccc4[C@H]3O)C[C@@H]2C1 ZINC000193648387 391672993 /nfs/dbraw/zinc/67/29/93/391672993.db2.gz OCQFACHZLMJXSJ-LQKXBSAESA-N 2 0 258.365 1.138 10 0 CDAERP C[C@@H]1[C@@H](C)CC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000361329558 391688420 /nfs/dbraw/zinc/68/84/20/391688420.db2.gz BMTWTMAGLFMNNN-QWHCGFSZSA-N 2 0 279.428 1.460 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)[NH2+][C@H](C)CCN1C(=O)c2ccccc2C1=O ZINC000415004799 391708612 /nfs/dbraw/zinc/70/86/12/391708612.db2.gz AFTTYEWFKONQGO-UTUOFQBUSA-N 2 0 289.379 1.387 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000193318158 391739902 /nfs/dbraw/zinc/73/99/02/391739902.db2.gz NZVDUQWHZVGQJC-UONOGXRCSA-N 2 0 267.417 1.591 10 0 CDAERP Cc1ccncc1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415045927 391736160 /nfs/dbraw/zinc/73/61/60/391736160.db2.gz CBFPFHFVFGEOAX-UHFFFAOYSA-N 2 0 288.439 1.696 10 0 CDAERP C[NH+]1CCC2(CC1)CN(CCC[NH+]1CCCCC1)CCO2 ZINC000646105884 392016680 /nfs/dbraw/zinc/01/66/80/392016680.db2.gz KNOHFHLPWBRVBZ-UHFFFAOYSA-N 2 0 295.471 1.659 10 0 CDAERP CC(C)(C[NH3+])C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000649319191 392012440 /nfs/dbraw/zinc/01/24/40/392012440.db2.gz NLGOLJHKJAVNQS-UHFFFAOYSA-N 2 0 259.313 1.191 10 0 CDAERP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000649322773 392019578 /nfs/dbraw/zinc/01/95/78/392019578.db2.gz KZQCFDAPSRLABK-WCVJEAGWSA-N 2 0 291.439 1.508 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000646190354 392148267 /nfs/dbraw/zinc/14/82/67/392148267.db2.gz SOHKFPOKRYIZEF-RYUDHWBXSA-N 2 0 255.406 1.077 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CC[NH2+]C12CCCC2)[NH+](CC)CC ZINC000649373028 392125071 /nfs/dbraw/zinc/12/50/71/392125071.db2.gz NRIVRSCKWZDJHX-KGLIPLIRSA-N 2 0 281.444 1.898 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCN(c2ccccc2)C1=O ZINC000422686858 392248249 /nfs/dbraw/zinc/24/82/49/392248249.db2.gz AUPRWPSKQKUYGG-DZGCQCFKSA-N 2 0 275.396 1.899 10 0 CDAERP C1CCC2(C1)[C@H]([NH2+]C1CC[NH2+]CC1)[C@@H]1CCO[C@H]12 ZINC000423026790 392283546 /nfs/dbraw/zinc/28/35/46/392283546.db2.gz ODJPIGUYAIXWOE-BFHYXJOUSA-N 2 0 250.386 1.676 10 0 CDAERP CCOC(=O)C1([C@@H](C)[NH2+]CC[C@@H]2CCOC2)CC[NH2+]CC1 ZINC000423031137 392287467 /nfs/dbraw/zinc/28/74/67/392287467.db2.gz KOIMBKOCOAZJMP-ZIAGYGMSSA-N 2 0 298.427 1.324 10 0 CDAERP C[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)C1(C(N)=O)CCCC1 ZINC000568051041 392345695 /nfs/dbraw/zinc/34/56/95/392345695.db2.gz ULHDASRACYRZDP-UHFFFAOYSA-N 2 0 287.407 1.562 10 0 CDAERP C[C@@H](NC(=O)N[C@@H]1CC[NH2+]C12CCC2)C1=CC[N@H+](C)CC1 ZINC000529319061 392323166 /nfs/dbraw/zinc/32/31/66/392323166.db2.gz BICREANYYMEXQN-TZMCWYRMSA-N 2 0 292.427 1.221 10 0 CDAERP CCOC(=O)C1([C@H](C)[NH2+]C2CC(F)(F)C2)CC[NH2+]CC1 ZINC000423079584 392325503 /nfs/dbraw/zinc/32/55/03/392325503.db2.gz YKIRLCGBIYQSDI-JTQLQIEISA-N 2 0 290.354 1.695 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCCC1CCOCC1 ZINC000423145639 392385959 /nfs/dbraw/zinc/38/59/59/392385959.db2.gz LTCINFQLYJMPPJ-CQSZACIVSA-N 2 0 258.406 1.537 10 0 CDAERP C[C@H](C[NH+]1CC[C@@H](CO)[C@H]1C)C[N@@H+]1CC[C@H](CO)[C@@H]1C ZINC000488738910 392410463 /nfs/dbraw/zinc/41/04/63/392410463.db2.gz VFPMNBRSNPRQCA-PWFLSRTFSA-N 2 0 284.444 1.028 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CC(C)(C)c1cccnc1 ZINC000423194152 392432253 /nfs/dbraw/zinc/43/22/53/392432253.db2.gz WOLKOMLRMJVYCF-CQSZACIVSA-N 2 0 265.401 1.703 10 0 CDAERP [NH3+][C@H]1CCC[C@H](NCCC[NH2+]Cc2cccnc2)C1 ZINC000573862552 392453107 /nfs/dbraw/zinc/45/31/07/392453107.db2.gz OWPHUHNFKONRQT-GJZGRUSLSA-N 2 0 262.401 1.421 10 0 CDAERP CC(C)([NH3+])CC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000646469481 392468949 /nfs/dbraw/zinc/46/89/49/392468949.db2.gz BFXJZSBSBBKHDH-UHFFFAOYSA-N 2 0 253.390 1.247 10 0 CDAERP C[C@@H]1C[C@H](NC[C@@H]([NH3+])c2ccccc2)C[N@@H+]1C1CC1 ZINC000423237005 392462440 /nfs/dbraw/zinc/46/24/40/392462440.db2.gz HUAKSABYVPSYIA-IVMMDQJWSA-N 2 0 259.397 1.901 10 0 CDAERP C[C@H](CCCC[NH3+])Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000423238527 392463206 /nfs/dbraw/zinc/46/32/06/392463206.db2.gz VLCOVNLXMQPZPJ-CYBMUJFWSA-N 2 0 277.416 1.421 10 0 CDAERP CC[C@H]([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)C(=O)NC ZINC000423164070 392401660 /nfs/dbraw/zinc/40/16/60/392401660.db2.gz NRTRFEFSIBJPPD-XDQVBPFNSA-N 2 0 267.417 1.411 10 0 CDAERP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000423294318 392492070 /nfs/dbraw/zinc/49/20/70/392492070.db2.gz UAGKHNUADBEQDC-NILFDRSVSA-N 2 0 291.395 1.090 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCCc2cc(N)ccc21 ZINC000423371850 392547341 /nfs/dbraw/zinc/54/73/41/392547341.db2.gz VHMFIZWFSOFQPE-GOEBONIOSA-N 2 0 277.412 1.990 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)C[C@@H]2CC[NH2+]C2)cc1 ZINC000646805875 392837066 /nfs/dbraw/zinc/83/70/66/392837066.db2.gz IOTJLUMVABRMQO-AAEUAGOBSA-N 2 0 261.369 1.322 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCC(=O)NC2(C)C)C1 ZINC000495064413 393168834 /nfs/dbraw/zinc/16/88/34/393168834.db2.gz CQNDAWKYAFODNU-UONOGXRCSA-N 2 0 281.444 1.754 10 0 CDAERP CCOC1CCC([NH2+]C[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000657847513 413058737 /nfs/dbraw/zinc/05/87/37/413058737.db2.gz VGZZBWNOEDQTDL-PCKAHOCUSA-N 2 0 284.444 1.771 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC[NH+]1CCCCC1 ZINC000132356921 393214326 /nfs/dbraw/zinc/21/43/26/393214326.db2.gz WZFQRBQVCDHAFI-HUUCEWRRSA-N 2 0 251.418 1.641 10 0 CDAERP CN(C)[C@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000195337679 140154058 /nfs/dbraw/zinc/15/40/58/140154058.db2.gz IFBYMUBJDYTFSS-CVEARBPZSA-N 2 0 287.407 1.596 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000237943168 140260668 /nfs/dbraw/zinc/26/06/68/140260668.db2.gz UMKZIWVDOZIFRP-UHFFFAOYSA-N 2 0 287.407 1.750 10 0 CDAERP [NH3+][C@@H]1CC[C@H]2CN(C(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@H]12 ZINC000248621319 140293344 /nfs/dbraw/zinc/29/33/44/140293344.db2.gz MZLJEZNFNCKBAV-UKOUFMKDSA-N 2 0 277.412 1.103 10 0 CDAERP CC[N@H+](C)CCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000249889303 140301257 /nfs/dbraw/zinc/30/12/57/140301257.db2.gz DCVDBXDAZLFKFD-RBSFLKMASA-N 2 0 253.434 1.839 10 0 CDAERP Cc1cc([C@@H]2CCC[N@H+](C[C@H]3CCC[NH2+]C3)C2)[nH]n1 ZINC000261642667 140367443 /nfs/dbraw/zinc/36/74/43/140367443.db2.gz DKXPCFXLZSJNBW-UONOGXRCSA-N 2 0 262.401 1.897 10 0 CDAERP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)C[NH2+]CC1CC1 ZINC000261669662 140373590 /nfs/dbraw/zinc/37/35/90/140373590.db2.gz OZCKVRGNUFBHJX-DOOHLRMFSA-N 2 0 265.401 1.008 10 0 CDAERP CN(Cc1cn(C)nc1C(F)(F)F)C[C@]1(C)CC[NH2+]C1 ZINC000261689473 140375161 /nfs/dbraw/zinc/37/51/61/140375161.db2.gz AXRVDHRZBMFYJP-GFCCVEGCSA-N 2 0 290.333 1.870 10 0 CDAERP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)NC1CCCCC1 ZINC000335874772 140617200 /nfs/dbraw/zinc/61/72/00/140617200.db2.gz UBKXXURANQRORY-UHFFFAOYSA-N 2 0 279.428 1.511 10 0 CDAERP CC[NH+](CC)CC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662588066 413155263 /nfs/dbraw/zinc/15/52/63/413155263.db2.gz AOBNGUKYNHESLV-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)(C)N1CC[C@@H]1C[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000658061969 413165039 /nfs/dbraw/zinc/16/50/39/413165039.db2.gz QCLQZFIADNPHSM-VXGBXAGGSA-N 2 0 267.417 1.506 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000416822906 296580340 /nfs/dbraw/zinc/58/03/40/296580340.db2.gz GMNKCSKWLGACIS-KGLIPLIRSA-N 2 0 296.459 1.548 10 0 CDAERP CC[C@@H](C)C[NH2+]CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001663938615 1172792324 /nfs/dbraw/zinc/79/23/24/1172792324.db2.gz XMUNHLIMKPFHRP-UKRRQHHQSA-N 2 0 281.444 1.422 10 0 CDAERP CC(C)=CC[NH2+]CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001663981971 1172796907 /nfs/dbraw/zinc/79/69/07/1172796907.db2.gz YCNUFHAWRCTWDU-UHFFFAOYSA-N 2 0 267.417 1.485 10 0 CDAERP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CCCCCC[NH3+] ZINC000094447097 147089091 /nfs/dbraw/zinc/08/90/91/147089091.db2.gz NMBUIRMOKMDONE-LSDHHAIUSA-N 2 0 281.444 1.981 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000105148552 147214747 /nfs/dbraw/zinc/21/47/47/147214747.db2.gz OOWVWIMVBWDDNL-ZIAGYGMSSA-N 2 0 298.475 1.745 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000115796842 147269211 /nfs/dbraw/zinc/26/92/11/147269211.db2.gz ZACPPYXFAUBDFD-HUUCEWRRSA-N 2 0 298.475 1.700 10 0 CDAERP [NH3+][C@@H]1CC[C@@H](C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000178707430 148078227 /nfs/dbraw/zinc/07/82/27/148078227.db2.gz IZRLOQHWSSQKOZ-CHWSQXEVSA-N 2 0 265.401 1.104 10 0 CDAERP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1csc2ccccc12 ZINC000262090865 149014060 /nfs/dbraw/zinc/01/40/60/149014060.db2.gz GVIZGBHOEKCGOS-ZWNOBZJWSA-N 2 0 262.378 1.571 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH2+][C@@H](C)C2)[C@@H](C)C1 ZINC000262405997 149059274 /nfs/dbraw/zinc/05/92/74/149059274.db2.gz RVWNZRZXLUHLOT-AJNGGQMLSA-N 2 0 281.444 1.563 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CC[NH+](CCC(C)(C)C)CC2)CC[NH2+]1 ZINC000262480769 149068969 /nfs/dbraw/zinc/06/89/69/149068969.db2.gz XYGARISOGSOVBA-GJZGRUSLSA-N 2 0 295.471 1.955 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000335031679 150206586 /nfs/dbraw/zinc/20/65/86/150206586.db2.gz KCMOEGILPHKHHZ-LSDHHAIUSA-N 2 0 293.455 1.709 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000335837733 151061828 /nfs/dbraw/zinc/06/18/28/151061828.db2.gz FJHSLDKTUMOFEC-ZFWWWQNUSA-N 2 0 281.444 1.517 10 0 CDAERP CC(C)[NH+]1CCC([NH2+]CCO[C@H]2CC2(F)F)CC1 ZINC000658164052 413258569 /nfs/dbraw/zinc/25/85/69/413258569.db2.gz AYONFYXRHBXKOY-LBPRGKRZSA-N 2 0 262.344 1.873 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]CCO[C@H]2CC2(F)F)[C@@H](C)C1 ZINC000658167149 413259335 /nfs/dbraw/zinc/25/93/35/413259335.db2.gz DMZSWOCQYNNNJV-SRVKXCTJSA-N 2 0 262.344 1.731 10 0 CDAERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@H](O)C(C)(C)C)C1 ZINC000343753557 152291016 /nfs/dbraw/zinc/29/10/16/152291016.db2.gz IBYSPSQZMQGTAY-CABCVRRESA-N 2 0 286.460 1.826 10 0 CDAERP C[C@@H](C(=O)NCCCC[NH+](C)C)[NH+]1CCCCCC1 ZINC000346131658 153063033 /nfs/dbraw/zinc/06/30/33/153063033.db2.gz PHWKJBSXISJLKR-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[C@@H](C[NH+](C)C)C1 ZINC000346200284 153094567 /nfs/dbraw/zinc/09/45/67/153094567.db2.gz MBYHUBWFOCIRSG-HNNXBMFYSA-N 2 0 299.422 1.959 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000346420622 153179216 /nfs/dbraw/zinc/17/92/16/153179216.db2.gz YVQVKIDKTABOIN-OCCSQVGLSA-N 2 0 267.417 1.269 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000349077432 154045409 /nfs/dbraw/zinc/04/54/09/154045409.db2.gz FBDDDVRJJHSVPZ-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N(C)CC1C[NH+](C)C1 ZINC000660610641 413290706 /nfs/dbraw/zinc/29/07/06/413290706.db2.gz BEHMBVMFRGRSCK-ZIAGYGMSSA-N 2 0 296.459 1.452 10 0 CDAERP C[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)[NH+](C)C1CC1 ZINC000350028427 154309375 /nfs/dbraw/zinc/30/93/75/154309375.db2.gz VHURALBEINKYHN-WFASDCNBSA-N 2 0 294.443 1.347 10 0 CDAERP CC(C)[NH+]1CCC([NH2+][C@@H]2C[C@@H](O)C23CCC3)CC1 ZINC000658250822 413313106 /nfs/dbraw/zinc/31/31/06/413313106.db2.gz DIAUWXKPPMPNHJ-ZIAGYGMSSA-N 2 0 252.402 1.752 10 0 CDAERP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000662694352 413328445 /nfs/dbraw/zinc/32/84/45/413328445.db2.gz PSCUNAMCWAKSEB-ZNMIVQPWSA-N 2 0 281.444 1.611 10 0 CDAERP c1c(CC[NH+]2CCCCC2)nnn1[C@@H]1CCC[NH2+]C1 ZINC000656468431 413327556 /nfs/dbraw/zinc/32/75/56/413327556.db2.gz XYKIEQHUBCRXNI-CQSZACIVSA-N 2 0 263.389 1.231 10 0 CDAERP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662731079 413396371 /nfs/dbraw/zinc/39/63/71/413396371.db2.gz XTLQBUKYRHRVEU-NEPJUHHUSA-N 2 0 257.422 1.500 10 0 CDAERP CC/C=C/CC[NH+]1CC(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001665350445 1172984012 /nfs/dbraw/zinc/98/40/12/1172984012.db2.gz NJTVIYIAMLGATH-WAVCKPEOSA-N 2 0 295.471 1.977 10 0 CDAERP [NH3+]CCOc1ccc(NC(=O)C2([NH2+]C3CC3)CCC2)cc1 ZINC000662765781 413462789 /nfs/dbraw/zinc/46/27/89/413462789.db2.gz WGQFEMUMUUXHQL-UHFFFAOYSA-N 2 0 289.379 1.637 10 0 CDAERP C[NH+]1CCN(CC[C@H]([NH3+])c2ccc(F)cc2)CC1 ZINC000020273974 171130884 /nfs/dbraw/zinc/13/08/84/171130884.db2.gz WXPWKVZIIZZLNC-AWEZNQCLSA-N 2 0 251.349 1.463 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000653214406 412142054 /nfs/dbraw/zinc/14/20/54/412142054.db2.gz SNDMNTFQUQEPQM-STQMWFEESA-N 2 0 275.396 1.410 10 0 CDAERP C[C@@H](C(=O)NCCC1(C[NH3+])CC1)[C@H]([NH3+])c1ccccc1 ZINC000653215899 412142358 /nfs/dbraw/zinc/14/23/58/412142358.db2.gz HQBIJNXYTIKYLB-OCCSQVGLSA-N 2 0 275.396 1.568 10 0 CDAERP [NH3+]CC1(CCNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000653216062 412143701 /nfs/dbraw/zinc/14/37/01/412143701.db2.gz PYUHSLSSJNLZSU-CHWSQXEVSA-N 2 0 267.417 1.529 10 0 CDAERP C[C@@H]1C[C@H](C)N(C(=O)c2cc(C(C)(C)[NH3+])no2)C[C@H]1C[NH3+] ZINC000662817544 413539265 /nfs/dbraw/zinc/53/92/65/413539265.db2.gz IZLWDQAZOQIGDI-OUAUKWLOSA-N 2 0 294.399 1.314 10 0 CDAERP CC[C@H]([NH2+]C)C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000662821267 413546334 /nfs/dbraw/zinc/54/63/34/413546334.db2.gz DLTVTRXCSWRRCP-UONOGXRCSA-N 2 0 261.369 1.069 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC[NH2+]1 ZINC000662837971 413582609 /nfs/dbraw/zinc/58/26/09/413582609.db2.gz LLFMETVMOFBECB-ZQDZILKHSA-N 2 0 279.428 1.508 10 0 CDAERP CC[C@@H]([NH2+]C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000662865691 413629260 /nfs/dbraw/zinc/62/92/60/413629260.db2.gz AORPJHCRKKJJCC-RBSFLKMASA-N 2 0 275.396 1.246 10 0 CDAERP [NH3+][C@H]1C[C@@H](C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)C1 ZINC000662885125 413653764 /nfs/dbraw/zinc/65/37/64/413653764.db2.gz RICLIYOYNRPOBY-MBNYWOFBSA-N 2 0 275.352 1.023 10 0 CDAERP CN1c2ccccc2C[C@@H]([NH2+]C2CCC(C[NH3+])CC2)C1=O ZINC000656786886 413664098 /nfs/dbraw/zinc/66/40/98/413664098.db2.gz CTPOLSLTTYAOSI-PESDSKBTSA-N 2 0 287.407 1.681 10 0 CDAERP CCN(C(=O)NCC[C@H]1CCC[NH+](C)C1)[C@H]1CC[N@H+](C)C1 ZINC000665117348 413874351 /nfs/dbraw/zinc/87/43/51/413874351.db2.gz CQJBOTUMGLDMTQ-CABCVRRESA-N 2 0 296.459 1.454 10 0 CDAERP C[NH2+]C[C@H](C)NC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000659453688 413839410 /nfs/dbraw/zinc/83/94/10/413839410.db2.gz ZKGQEQVGFLAVGO-YNEHKIRRSA-N 2 0 270.421 1.156 10 0 CDAERP C[C@H](NC(=O)NC1CCC([NH3+])CC1)c1nccn1C ZINC000659519570 413918839 /nfs/dbraw/zinc/91/88/39/413918839.db2.gz RYOUUUZHENTLFZ-WHXUTIOJSA-N 2 0 265.361 1.050 10 0 CDAERP O=C(NCCC[NH+]1CCCCC1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407373854 413946185 /nfs/dbraw/zinc/94/61/85/413946185.db2.gz NHKMZMWLGAGDNV-LSDHHAIUSA-N 2 0 279.428 1.509 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659495040 413888350 /nfs/dbraw/zinc/88/83/50/413888350.db2.gz ZMZCOECJCVEAET-OPFPJEHXSA-N 2 0 282.432 1.158 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407209189 413896964 /nfs/dbraw/zinc/89/69/64/413896964.db2.gz CFAOGFXMLOGSTD-KBPBESRZSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1cnn(C)c1)C1C[NH2+]C1 ZINC000665273522 414005429 /nfs/dbraw/zinc/00/54/29/414005429.db2.gz YPFYPKZDLBKELJ-CORIIIEPSA-N 2 0 262.401 1.329 10 0 CDAERP CCS(=O)(=O)C1(C[NH2+][C@H](C)CCCC[NH3+])CC1 ZINC000665275179 414012375 /nfs/dbraw/zinc/01/23/75/414012375.db2.gz DUHSQEXCXTUTDK-LLVKDONJSA-N 2 0 262.419 1.061 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000659610262 414015458 /nfs/dbraw/zinc/01/54/58/414015458.db2.gz NKGYATKVAIMWKR-GOEBONIOSA-N 2 0 294.443 1.256 10 0 CDAERP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCc1noc2ccccc12 ZINC000665232419 413957431 /nfs/dbraw/zinc/95/74/31/413957431.db2.gz MNILRADPDYZAQY-IACUBPJLSA-N 2 0 289.379 1.712 10 0 CDAERP C[C@@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]C[C@H]1CCC[C@@H](C)O1 ZINC000665265504 413993947 /nfs/dbraw/zinc/99/39/47/413993947.db2.gz WYGRWTSZISCROK-DHGKCCLASA-N 2 0 256.390 1.286 10 0 CDAERP C[NH2+]C[C@@H](C)NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000659646976 414056665 /nfs/dbraw/zinc/05/66/65/414056665.db2.gz RCYDQZVCAVZSRP-ZIAGYGMSSA-N 2 0 282.432 1.254 10 0 CDAERP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000665280656 414021023 /nfs/dbraw/zinc/02/10/23/414021023.db2.gz IJIYELGCHNOEEQ-JHJVBQTASA-N 2 0 276.446 1.305 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000659618887 414028440 /nfs/dbraw/zinc/02/84/40/414028440.db2.gz KVTGMRZBTJQYBC-UONOGXRCSA-N 2 0 284.448 1.486 10 0 CDAERP CC[N@@H+]1C[C@@H](C)N(C(=O)NCC[C@@H]([NH3+])C(C)C)C[C@H]1C ZINC000659622218 414033119 /nfs/dbraw/zinc/03/31/19/414033119.db2.gz ONBRNMDBNYXHNX-MGPQQGTHSA-N 2 0 284.448 1.484 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000659624685 414036804 /nfs/dbraw/zinc/03/68/04/414036804.db2.gz XPXOMIOUJLUTLI-CQSZACIVSA-N 2 0 282.432 1.240 10 0 CDAERP C[C@@H](NCC(C)(C)C[NH+](C)C)[C@@H]1CCC[N@H+](C)C1 ZINC000037209219 173030796 /nfs/dbraw/zinc/03/07/96/173030796.db2.gz LGCCSDYLKGJDBC-ZIAGYGMSSA-N 2 0 255.450 1.894 10 0 CDAERP C[C@H](C[N@H+](CCC[NH3+])C1CCCCCC1)C(N)=O ZINC000037227012 173047217 /nfs/dbraw/zinc/04/72/17/173047217.db2.gz AKGISCGQOXBTTM-GFCCVEGCSA-N 2 0 255.406 1.481 10 0 CDAERP CCCC1CCC(C[NH3+])(N2CC[NH+](C)CC2)CC1 ZINC000037489506 173231414 /nfs/dbraw/zinc/23/14/14/173231414.db2.gz KVOVJYUOAOJBHU-UHFFFAOYSA-N 2 0 253.434 1.922 10 0 CDAERP c1cc(CNCCC[NH+]2CCCC2)n(-c2cc[nH+]cc2)n1 ZINC000657295452 414129554 /nfs/dbraw/zinc/12/95/54/414129554.db2.gz CLXZBEBTGQYBSI-UHFFFAOYSA-N 2 0 285.395 1.843 10 0 CDAERP COCC[C@@](C)(O)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657368904 414233930 /nfs/dbraw/zinc/23/39/30/414233930.db2.gz ZBPJHKQZXWYDPC-OAHLLOKOSA-N 2 0 290.367 1.144 10 0 CDAERP O[C@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)C1CC1 ZINC000657368557 414234879 /nfs/dbraw/zinc/23/48/79/414234879.db2.gz SNSRTPHRZCOULH-CQSZACIVSA-N 2 0 258.325 1.128 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cccc3c2OCO3)C1 ZINC000655827286 414236118 /nfs/dbraw/zinc/23/61/18/414236118.db2.gz QHHOKAIXVIRBEK-BJHJDKERSA-N 2 0 262.353 1.845 10 0 CDAERP CCC[NH+]1CCC([NH2+]C[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000655802714 414195132 /nfs/dbraw/zinc/19/51/32/414195132.db2.gz ICTMCJBSPKDPMU-OAGGEKHMSA-N 2 0 297.487 1.948 10 0 CDAERP C[C@@H](CO)[C@H](C)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657370312 414247818 /nfs/dbraw/zinc/24/78/18/414247818.db2.gz BQNGUSVXFCFRCS-RYUDHWBXSA-N 2 0 260.341 1.374 10 0 CDAERP CN(CC1C[NH+](C)C1)C(=O)NCc1cn2ccccc2n1 ZINC000663461198 414268085 /nfs/dbraw/zinc/26/80/85/414268085.db2.gz ITIQWFYYXSUELC-UHFFFAOYSA-N 2 0 287.367 1.037 10 0 CDAERP C[C@@H](CCCO)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657392400 414276618 /nfs/dbraw/zinc/27/66/18/414276618.db2.gz QXPFZNZCTOENRJ-LBPRGKRZSA-N 2 0 260.341 1.518 10 0 CDAERP C[C@@]1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCCO1 ZINC000657396933 414282982 /nfs/dbraw/zinc/28/29/82/414282982.db2.gz RACJJSNMLGXAQY-HNNXBMFYSA-N 2 0 272.352 1.926 10 0 CDAERP C[C@H]([NH3+])[C@@H]1CCCCN1Cc1nc2c(s1)C[NH2+]CC2 ZINC000663496105 414292592 /nfs/dbraw/zinc/29/25/92/414292592.db2.gz RMXGQOJJQFMUCC-JQWIXIFHSA-N 2 0 280.441 1.491 10 0 CDAERP O[C@@]1(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CCCOC1 ZINC000659957497 414300838 /nfs/dbraw/zinc/30/08/38/414300838.db2.gz UDOFNTFIYQUQSL-HZPDHXFCSA-N 2 0 282.428 1.336 10 0 CDAERP c1cc(C[NH2+]CC[C@H]2CCOC2)n(-c2cc[nH+]cc2)n1 ZINC000657433716 414322161 /nfs/dbraw/zinc/32/21/61/414322161.db2.gz ZTBFFTUWHCATRJ-ZDUSSCGKSA-N 2 0 272.352 1.784 10 0 CDAERP CCN(C(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1)[C@@H]1CC[N@H+](C)C1 ZINC000663681110 414402732 /nfs/dbraw/zinc/40/27/32/414402732.db2.gz IUUCPXHUGUPVDJ-QLFBSQMISA-N 2 0 294.443 1.349 10 0 CDAERP O[C@H](C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1)C1CCCCC1 ZINC000662151242 414537906 /nfs/dbraw/zinc/53/79/06/414537906.db2.gz GUQOTFMARQKSQH-IAGOWNOFSA-N 2 0 296.455 1.459 10 0 CDAERP CC(C)[C@@](C)(C[NH3+])NCc1cccc2c1CC[NH2+]C2 ZINC000662249413 414585327 /nfs/dbraw/zinc/58/53/27/414585327.db2.gz MSGXLEDEAPQQGI-MRXNPFEDSA-N 2 0 261.413 1.795 10 0 CDAERP CC[NH+](CC)CCN(CC(C)C)C[C@@H]1C[NH2+]CCO1 ZINC000662260881 414598074 /nfs/dbraw/zinc/59/80/74/414598074.db2.gz PVYNODPBPSAJNX-HNNXBMFYSA-N 2 0 271.449 1.275 10 0 CDAERP CC[NH+]1CCC([C@@H](C)[NH2+]Cc2c[nH]nc2C)CC1 ZINC000038011323 173979542 /nfs/dbraw/zinc/97/95/42/173979542.db2.gz UXFXLQMOZAMBLB-LLVKDONJSA-N 2 0 250.390 1.928 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)[C@@H]([NH3+])[C@H](C)CC)CC1 ZINC000038100760 174115339 /nfs/dbraw/zinc/11/53/39/174115339.db2.gz RFFPQOXHIMNWTO-OCCSQVGLSA-N 2 0 269.433 1.693 10 0 CDAERP CCCC[C@@H]([NH3+])C(=O)N(C)C1CC[NH+](CCC)CC1 ZINC000038100798 174115530 /nfs/dbraw/zinc/11/55/30/174115530.db2.gz HQZWVBZRXJLOPU-CQSZACIVSA-N 2 0 269.433 1.837 10 0 CDAERP CC[C@H](C)[NH2+]CC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000040419983 174257529 /nfs/dbraw/zinc/25/75/29/174257529.db2.gz OJRHSIGQSYEADS-ZDUSSCGKSA-N 2 0 269.433 1.755 10 0 CDAERP CSCCC[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000040435592 174261490 /nfs/dbraw/zinc/26/14/90/174261490.db2.gz CGIPDDUZOUTIKO-AWEZNQCLSA-N 2 0 273.490 1.601 10 0 CDAERP O=C([C@H]1CCC[N@@H+]1Cc1ccsc1)N1CC[NH2+]CC1 ZINC000040508093 174302524 /nfs/dbraw/zinc/30/25/24/174302524.db2.gz MAFPBBLABWIGOM-CYBMUJFWSA-N 2 0 279.409 1.144 10 0 CDAERP C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000040717008 174384692 /nfs/dbraw/zinc/38/46/92/174384692.db2.gz HOZUFMREPAYZSO-GFCCVEGCSA-N 2 0 261.369 1.816 10 0 CDAERP CCCO[C@@H]1CCCN(C2(C[NH3+])CC[NH+](C)CC2)C1 ZINC000042421300 174720443 /nfs/dbraw/zinc/72/04/43/174720443.db2.gz WPTBRKYBQASLNR-CQSZACIVSA-N 2 0 269.433 1.301 10 0 CDAERP C[N@H+](CCCN[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000043327312 175008647 /nfs/dbraw/zinc/00/86/47/175008647.db2.gz GYUGMGXTEHDMEW-AWEZNQCLSA-N 2 0 253.434 1.983 10 0 CDAERP C[C@@H]([NH3+])[C@@H](c1ccncc1)N1CC[NH+](CC2CC2)CC1 ZINC000043354232 175021295 /nfs/dbraw/zinc/02/12/95/175021295.db2.gz YBXMZSBAGKVLJZ-CJNGLKHVSA-N 2 0 274.412 1.498 10 0 CDAERP CN(C)C(=O)CCC[N@H+](C)Cc1ccc(C[NH3+])cc1 ZINC000043448136 175049091 /nfs/dbraw/zinc/04/90/91/175049091.db2.gz AYBVYACXNVIUKE-UHFFFAOYSA-N 2 0 263.385 1.446 10 0 CDAERP CC[NH2+][C@@H](c1ccccc1)[C@@H](C)N1CC[NH+](C)CC1 ZINC000043810687 175109865 /nfs/dbraw/zinc/10/98/65/175109865.db2.gz UAKYFJMKESXRJR-GDBMZVCRSA-N 2 0 261.413 1.973 10 0 CDAERP CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N1CC[NH+](C)CC1 ZINC000043810935 175110291 /nfs/dbraw/zinc/11/02/91/175110291.db2.gz GAJFQLFMRYRCGH-ZNMIVQPWSA-N 2 0 253.434 1.791 10 0 CDAERP C[NH2+][C@@H](C)CCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000043817801 175113298 /nfs/dbraw/zinc/11/32/98/175113298.db2.gz LRARKPXVHCMZPV-GOEBONIOSA-N 2 0 261.413 1.973 10 0 CDAERP C[C@@H]1CC[C@@H](O)[C@H]([NH+]2CCC(C[NH+](C)C)CC2)C1 ZINC000044169668 175148431 /nfs/dbraw/zinc/14/84/31/175148431.db2.gz OZLVSGMNVOQEPS-BPLDGKMQSA-N 2 0 254.418 1.810 10 0 CDAERP COc1nc(N(C)C)sc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000044516383 175190331 /nfs/dbraw/zinc/19/03/31/175190331.db2.gz UYCPHZNUEWHWAV-UHFFFAOYSA-N 2 0 298.456 1.649 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000044526725 175192001 /nfs/dbraw/zinc/19/20/01/175192001.db2.gz DIYNTUDMVBYWJK-JYJNAYRXSA-N 2 0 293.455 1.755 10 0 CDAERP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000044533779 175197399 /nfs/dbraw/zinc/19/73/99/175197399.db2.gz AZAZDLXKTZZGAO-NEPJUHHUSA-N 2 0 288.395 1.849 10 0 CDAERP CC1CCC(OC[C@@H](O)C[NH2+]C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000044536340 175199001 /nfs/dbraw/zinc/19/90/01/175199001.db2.gz FRXNALNURRIMDT-GMRIPVOYSA-N 2 0 298.471 1.874 10 0 CDAERP CC[NH+]1CCC([C@H](C)[NH2+]CCOCCOC)CC1 ZINC000044694065 175234935 /nfs/dbraw/zinc/23/49/35/175234935.db2.gz QDNCSFWZDKGNSW-ZDUSSCGKSA-N 2 0 258.406 1.359 10 0 CDAERP CCCC(C[NH3+])(CCC)C(=O)NC[C@@H]1CC[N@H+](CC)C1 ZINC000044802636 175256233 /nfs/dbraw/zinc/25/62/33/175256233.db2.gz NPOBVXOPKUOQCQ-AWEZNQCLSA-N 2 0 283.460 1.990 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@@H](C[NH3+])C(C)C)CC1 ZINC000044808404 175257100 /nfs/dbraw/zinc/25/71/00/175257100.db2.gz NXGKLSRKMLTWGN-ZDUSSCGKSA-N 2 0 255.406 1.065 10 0 CDAERP C[NH2+][C@](C)(CCCC[NH+]1CCCCCCC1)C(N)=O ZINC000045371432 175364563 /nfs/dbraw/zinc/36/45/63/175364563.db2.gz GISBEJXOQHDSTQ-OAHLLOKOSA-N 2 0 269.433 1.886 10 0 CDAERP CCC[NH2+][C@@](C)(CCCN1CC[NH+](CCC)CC1)C(N)=O ZINC000045374035 175365638 /nfs/dbraw/zinc/36/56/38/175365638.db2.gz XTBAVWZSXQVRIO-INIZCTEOSA-N 2 0 298.475 1.038 10 0 CDAERP C[NH2+][C@](C)(CCCC[NH+]1CCC(C)CC1)C(N)=O ZINC000045374800 175365651 /nfs/dbraw/zinc/36/56/51/175365651.db2.gz OARYUVULPSBBKB-CQSZACIVSA-N 2 0 255.406 1.352 10 0 CDAERP C[NH2+][C@](C)(CCCC[N@H+](C)C1CCCCC1)C(N)=O ZINC000045379079 175368137 /nfs/dbraw/zinc/36/81/37/175368137.db2.gz ZEYZGJNAECQXDG-OAHLLOKOSA-N 2 0 269.433 1.885 10 0 CDAERP CCC[NH2+][C@](C)(CCC[N@H+](C)C1CCN(C)CC1)C(N)=O ZINC000045379357 175368595 /nfs/dbraw/zinc/36/85/95/175368595.db2.gz PPFASILFYYDLBP-MRXNPFEDSA-N 2 0 298.475 1.036 10 0 CDAERP CC[NH2+][C@](C)(CO)CCCC[NH+](CCOC)CCOC ZINC000070514835 175963671 /nfs/dbraw/zinc/96/36/71/175963671.db2.gz QVGIBSPSWBZDFL-HNNXBMFYSA-N 2 0 290.448 1.112 10 0 CDAERP [NH3+]C[C@@](O)(CN1CC[C@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000070521551 175966904 /nfs/dbraw/zinc/96/69/04/175966904.db2.gz PAAORRBQBKDXKF-DLBZAZTESA-N 2 0 289.423 1.003 10 0 CDAERP CCC[NH2+][C@@H]1CCCN(CC[N@H+](C)C2CC2)C1=O ZINC000071031207 176022681 /nfs/dbraw/zinc/02/26/81/176022681.db2.gz SOLXREPYSQGIDD-CYBMUJFWSA-N 2 0 253.390 1.071 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)N1CC[C@H]([NH2+]C2CC2)C1=O ZINC000071031977 176022848 /nfs/dbraw/zinc/02/28/48/176022848.db2.gz NUPIQNVPPAYNLI-KBPBESRZSA-N 2 0 267.417 1.316 10 0 CDAERP CC[NH2+][C@@H]1CCCN(CCC[NH+]2CCCC2)C1=O ZINC000071031421 176023211 /nfs/dbraw/zinc/02/32/11/176023211.db2.gz QLLLOIJYZGTFGE-CYBMUJFWSA-N 2 0 253.390 1.073 10 0 CDAERP CC[NH2+][C@@H]1CCCN(C[C@@H]2CCC[N@@H+]2CC)C1=O ZINC000071032785 176023818 /nfs/dbraw/zinc/02/38/18/176023818.db2.gz RYIRYHCQKHOCGF-QWHCGFSZSA-N 2 0 253.390 1.071 10 0 CDAERP CC[NH2+][C@@H]1CCCN([C@@H](C)C[NH+]2CCCC2)C1=O ZINC000071033585 176024431 /nfs/dbraw/zinc/02/44/31/176024431.db2.gz CTBPKMRMOWLRFW-QWHCGFSZSA-N 2 0 253.390 1.071 10 0 CDAERP CC[NH+]1CCC(CN2CC[C@H]([NH2+]C(C)C)C2=O)CC1 ZINC000071036456 176025996 /nfs/dbraw/zinc/02/59/96/176025996.db2.gz ILLVZLMEJWPSNB-AWEZNQCLSA-N 2 0 267.417 1.317 10 0 CDAERP C[NH2+]Cc1c(N(C)C[C@@H]2CC[N@H+](C)C2)nc2ccccn21 ZINC000071190079 176065971 /nfs/dbraw/zinc/06/59/71/176065971.db2.gz YOMOCLMUXQFSDQ-CYBMUJFWSA-N 2 0 287.411 1.442 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000071191285 176070159 /nfs/dbraw/zinc/07/01/59/176070159.db2.gz QUOWUJBLYZCBFJ-OAHLLOKOSA-N 2 0 295.471 1.419 10 0 CDAERP CC(C)C[NH2+]Cc1ccc(N(C)C[C@H]2CC[N@H+](C)C2)nn1 ZINC000071191695 176072807 /nfs/dbraw/zinc/07/28/07/176072807.db2.gz AROUQSAOWVRLEU-AWEZNQCLSA-N 2 0 291.443 1.610 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CN1CCC[C@H]([NH2+]C2CC2)C1 ZINC000071200682 176077720 /nfs/dbraw/zinc/07/77/20/176077720.db2.gz TXSFRRBDNSTNAN-GJZGRUSLSA-N 2 0 251.418 1.687 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)N1CCC[C@H]([NH2+]C2CC2)C1 ZINC000071200841 176077889 /nfs/dbraw/zinc/07/78/89/176077889.db2.gz CLFAAZKBPRNSHA-GJZGRUSLSA-N 2 0 253.434 1.789 10 0 CDAERP CCC[NH+]1CCC([C@H](C)[NH2+]C[C@H](O)COC)CC1 ZINC000071266346 176099769 /nfs/dbraw/zinc/09/97/69/176099769.db2.gz LBAFDBTYBLQHHA-JSGCOSHPSA-N 2 0 258.406 1.094 10 0 CDAERP NC(=[NH2+])c1cc(F)ccc1CN1CC[NH+](C2CC2)CC1 ZINC000071267815 176101212 /nfs/dbraw/zinc/10/12/12/176101212.db2.gz FCCLFPIHKKTZKH-UHFFFAOYSA-N 2 0 276.359 1.390 10 0 CDAERP CC[NH+](CC)C[C@H](O)CNCC[N@H+](C)C1CCCC1 ZINC000071377447 176141971 /nfs/dbraw/zinc/14/19/71/176141971.db2.gz HLXAHLJHMIRLLR-OAHLLOKOSA-N 2 0 271.449 1.153 10 0 CDAERP C[C@@H]1CCC[C@@H](C(=O)NCC[N@H+](C)C2CCCC2)[C@@H]1[NH3+] ZINC000071380144 176144467 /nfs/dbraw/zinc/14/44/67/176144467.db2.gz QMAQFLDVPQYKHE-BPLDGKMQSA-N 2 0 281.444 1.741 10 0 CDAERP C[C@H]([NH3+])[C@@H](c1ccccc1)N1CC[NH+](CC(C)(C)O)CC1 ZINC000071380168 176144500 /nfs/dbraw/zinc/14/45/00/176144500.db2.gz ALOQGZDVQLWNHZ-HOCLYGCPSA-N 2 0 291.439 1.463 10 0 CDAERP CC(C)(O)C[NH+]1CCN([C@@H]2CCCCC[C@@H]2C[NH3+])CC1 ZINC000071380516 176144838 /nfs/dbraw/zinc/14/48/38/176144838.db2.gz FDUFBQKCXKIOEJ-HUUCEWRRSA-N 2 0 283.460 1.283 10 0 CDAERP CC[NH2+][C@@H]1CCC[C@@H]1CN1CC[NH+](CC(C)(C)O)CC1 ZINC000071381838 176145464 /nfs/dbraw/zinc/14/54/64/176145464.db2.gz LCTSYZAQWSFLGD-HUUCEWRRSA-N 2 0 283.460 1.153 10 0 CDAERP CN(CC(C)(C)C[NH3+])C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000417932718 227223903 /nfs/dbraw/zinc/22/39/03/227223903.db2.gz NCSBZOATAJMKTK-UHFFFAOYSA-N 2 0 298.475 1.733 10 0 CDAERP C[NH2+]CC1CCN(Cc2nc3c(s2)C[NH2+]CC3)CC1 ZINC000663494315 423885824 /nfs/dbraw/zinc/88/58/24/423885824.db2.gz IAFUXHRVNGNPEZ-UHFFFAOYSA-N 2 0 280.441 1.220 10 0 CDAERP C[NH2+]C[C@](C)(O)C[N@H+](C)C[C@@H]1CCc2ccccc21 ZINC000662321335 423954167 /nfs/dbraw/zinc/95/41/67/423954167.db2.gz HFVFMGVUHRWTFE-HOCLYGCPSA-N 2 0 262.397 1.619 10 0 CDAERP C[NH+](C)CC[C@H](NC(=O)NCCC1(C[NH3+])CC1)C(C)(C)C ZINC000652153446 423973162 /nfs/dbraw/zinc/97/31/62/423973162.db2.gz JUGLSVBXWOQOLA-ZDUSSCGKSA-N 2 0 298.475 1.781 10 0 CDAERP [NH3+]CC1(CCNC(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000652202595 424056320 /nfs/dbraw/zinc/05/63/20/424056320.db2.gz OVKFDRZFMZMBKE-UHFFFAOYSA-N 2 0 268.405 1.076 10 0 CDAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)NCCC3(C[NH3+])CC3)CC[C@@H]21 ZINC000652239321 424120030 /nfs/dbraw/zinc/12/00/30/424120030.db2.gz KEOXVXLXAGMTNE-KGLIPLIRSA-N 2 0 294.443 1.241 10 0 CDAERP Cn1c2ccccc2cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1=O ZINC000653501569 424220915 /nfs/dbraw/zinc/22/09/15/424220915.db2.gz ARYOHDCAEKJHBZ-GASCZTMLSA-N 2 0 283.375 1.190 10 0 CDAERP c1cc2c(cc1C[N@@H+]1CC[C@]3(CCOC3)C1)C[NH2+]CC2 ZINC000652338435 424256778 /nfs/dbraw/zinc/25/67/78/424256778.db2.gz CEGHTQBCKSIOHK-KRWDZBQOSA-N 2 0 272.392 1.945 10 0 CDAERP COC[C@@H](C)C[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000519041092 265302511 /nfs/dbraw/zinc/30/25/11/265302511.db2.gz AERQSPZCCMHZSI-LBPRGKRZSA-N 2 0 260.447 1.686 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000049415217 424397848 /nfs/dbraw/zinc/39/78/48/424397848.db2.gz MFEGDXCGIYYBPH-UONOGXRCSA-N 2 0 282.432 1.110 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000659621690 424417486 /nfs/dbraw/zinc/41/74/86/424417486.db2.gz JKJPWECRBNMBOF-CQSZACIVSA-N 2 0 296.459 1.630 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2ccoc2)CC1 ZINC000665287851 424495495 /nfs/dbraw/zinc/49/54/95/424495495.db2.gz WLZKGQXYGOSFKA-ZDUSSCGKSA-N 2 0 293.411 1.921 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2C[C@H](C)O[C@H]2C)CC1 ZINC000665289007 424498424 /nfs/dbraw/zinc/49/84/24/424498424.db2.gz CXCNBTLJXBFGME-KCQAQPDRSA-N 2 0 297.443 1.133 10 0 CDAERP CC(=O)NCc1ccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000665235045 424469907 /nfs/dbraw/zinc/46/99/07/424469907.db2.gz OTHCLVJGKXXZCV-HOTGVXAUSA-N 2 0 275.396 1.540 10 0 CDAERP O=C(N[C@@H]1CC[NH2+]C12CCCC2)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655482900 424479042 /nfs/dbraw/zinc/47/90/42/424479042.db2.gz ORFWYHUWEQUJHR-GZBFAFLISA-N 2 0 277.412 1.167 10 0 CDAERP C[C@H](C(=O)N[C@H](C[NH3+])C(F)(F)F)[C@H]([NH3+])c1ccccc1 ZINC000655505407 424667395 /nfs/dbraw/zinc/66/73/95/424667395.db2.gz ZBNUUTBTSHTARG-GDPRMGEGSA-N 2 0 289.301 1.328 10 0 CDAERP [NH3+]C[C@H](NC(=O)[C@H]1CCCCCC[C@H]1[NH3+])C(F)(F)F ZINC000655505353 424667697 /nfs/dbraw/zinc/66/76/97/424667697.db2.gz XGNVJUWFQKFPEP-AEJSXWLSSA-N 2 0 281.322 1.290 10 0 CDAERP CC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001667210718 1173245641 /nfs/dbraw/zinc/24/56/41/1173245641.db2.gz LZVXAUPLJSJYFM-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP CC[NH+]1CCC(C[NH2+][C@@H](COC)C2CCOCC2)CC1 ZINC000514651167 270403125 /nfs/dbraw/zinc/40/31/25/270403125.db2.gz BJUGBNSPXWBCFU-INIZCTEOSA-N 2 0 284.444 1.750 10 0 CDAERP C[C@H]([NH2+]C[C@@]1(C)COc2ccccc2O1)C1C[NH2+]C1 ZINC000530207340 271150232 /nfs/dbraw/zinc/15/02/32/271150232.db2.gz DFXVSZFSXGPEGD-NHYWBVRUSA-N 2 0 262.353 1.414 10 0 CDAERP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H](n1cccn1)C(F)(F)F ZINC000530208662 271151761 /nfs/dbraw/zinc/15/17/61/271151761.db2.gz GOEGBAZRWZWOBS-GRYCIOLGSA-N 2 0 290.333 1.964 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[NH+](C(C)C)C[C@@H]1C ZINC000247073228 276154843 /nfs/dbraw/zinc/15/48/43/276154843.db2.gz IXSLEUWUYDQAPY-SOUVJXGZSA-N 2 0 281.444 1.706 10 0 CDAERP C[N@@H+]1CCCN(C(=O)[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000336497357 277048972 /nfs/dbraw/zinc/04/89/72/277048972.db2.gz AAPFEBVWKIMYAJ-CQSZACIVSA-N 2 0 279.359 1.032 10 0 CDAERP CC(C)(C)[C@H](O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000336829996 277253447 /nfs/dbraw/zinc/25/34/47/277253447.db2.gz JQVDJCPSJGYHFQ-OAHLLOKOSA-N 2 0 284.444 1.438 10 0 CDAERP CC(C)C[NH+]1CCC(N[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000358020633 277386700 /nfs/dbraw/zinc/38/67/00/277386700.db2.gz FNYZURUXTSXDIV-HIFRSBDPSA-N 2 0 253.434 1.647 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)CC[N@@H+]1C ZINC000374798713 278026134 /nfs/dbraw/zinc/02/61/34/278026134.db2.gz OSEYJEAWYGWBIN-QXSJWSMHSA-N 2 0 296.455 1.626 10 0 CDAERP C[C@H](C[NH3+])NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000417937724 278183698 /nfs/dbraw/zinc/18/36/98/278183698.db2.gz IRTWAGGMBFJONX-KWCYVHTRSA-N 2 0 276.384 1.078 10 0 CDAERP CC[NH+](CC)CC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000378224036 279086887 /nfs/dbraw/zinc/08/68/87/279086887.db2.gz IDCVHZPZLXQAPW-AWEZNQCLSA-N 2 0 267.417 1.319 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000233449908 279131900 /nfs/dbraw/zinc/13/19/00/279131900.db2.gz WIQARPZMEVYJQX-RWMBFGLXSA-N 2 0 255.406 1.221 10 0 CDAERP CC(C)C[C@H]([NH3+])C[NH2+]CC1(N2CCOCC2)CCCCC1 ZINC000415096255 279180483 /nfs/dbraw/zinc/18/04/83/279180483.db2.gz ARVYRLQBQXQUSX-INIZCTEOSA-N 2 0 297.487 1.985 10 0 CDAERP C[C@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)[C@@H]([NH3+])c1ccccc1 ZINC000226827595 279202928 /nfs/dbraw/zinc/20/29/28/279202928.db2.gz BZDVMRYHTYCCPH-NWANDNLSSA-N 2 0 275.396 1.485 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000335284787 279319256 /nfs/dbraw/zinc/31/92/56/279319256.db2.gz FZXOPHXRYGNVLD-GOEBONIOSA-N 2 0 294.443 1.256 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2C)C1 ZINC000113600844 279319932 /nfs/dbraw/zinc/31/99/32/279319932.db2.gz DGHITCXRZABUTL-KKUMJFAQSA-N 2 0 294.443 1.349 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H]1C[NH2+]CCC1(F)F ZINC000423483849 288124930 /nfs/dbraw/zinc/12/49/30/288124930.db2.gz RWXADHPAHAITLB-ADEWGFFLSA-N 2 0 259.344 1.056 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000261632416 279653982 /nfs/dbraw/zinc/65/39/82/279653982.db2.gz ADHSQHXVUHESQM-FVQBIDKESA-N 2 0 287.407 1.365 10 0 CDAERP O=C(C[C@H]1CCC[NH2+]C1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000227116959 280103648 /nfs/dbraw/zinc/10/36/48/280103648.db2.gz APPYKDCKIBLVOG-ZIAGYGMSSA-N 2 0 265.401 1.073 10 0 CDAERP C[C@@]1(CNC(=O)c2ccccc2CC[NH3+])CCC[NH2+]C1 ZINC000517953836 281013561 /nfs/dbraw/zinc/01/35/61/281013561.db2.gz NOXFHWMEHOFEEE-MRXNPFEDSA-N 2 0 275.396 1.307 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1CCC1CC[NH2+]CC1 ZINC000251767853 288298067 /nfs/dbraw/zinc/29/80/67/288298067.db2.gz MFNKCCXVDQCQDG-ZBFHGGJFSA-N 2 0 265.445 1.935 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@@](C)([NH3+])c2ccccc2)CC1 ZINC000052881712 282050063 /nfs/dbraw/zinc/05/00/63/282050063.db2.gz ZRYRXGIYWNEMEY-INIZCTEOSA-N 2 0 275.396 1.413 10 0 CDAERP CC[C@H](C)C[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001668640388 1173434547 /nfs/dbraw/zinc/43/45/47/1173434547.db2.gz BMZDTRHXZMPFLW-UONOGXRCSA-N 2 0 269.433 1.422 10 0 CDAERP C[NH+](C)C1(CNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CCC1 ZINC000334950436 289047855 /nfs/dbraw/zinc/04/78/55/289047855.db2.gz FJAUAXPBAACIMS-OAHLLOKOSA-N 2 0 294.443 1.256 10 0 CDAERP C[NH+](C)C1(CNC(=O)N[C@H]2CCCC[NH2+]C2)CCCCC1 ZINC000333922597 289053495 /nfs/dbraw/zinc/05/34/95/289053495.db2.gz RNSFAEQGOWUYJR-AWEZNQCLSA-N 2 0 296.459 1.692 10 0 CDAERP C[NH+](C)CC1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000037826080 289105204 /nfs/dbraw/zinc/10/52/04/289105204.db2.gz QWZWEQFLUUUAAI-JYJNAYRXSA-N 2 0 293.455 1.707 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000417858085 289306661 /nfs/dbraw/zinc/30/66/61/289306661.db2.gz URHDVRWZKDJOLB-BARDWOONSA-N 2 0 294.443 1.253 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCC1(O)CCC1 ZINC000551581949 290009417 /nfs/dbraw/zinc/00/94/17/290009417.db2.gz UIOAUVOTEYMOLE-UHFFFAOYSA-N 2 0 286.379 1.970 10 0 CDAERP C[N@@H+]1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C2(CCCCC2)C1 ZINC000261697939 290021009 /nfs/dbraw/zinc/02/10/09/290021009.db2.gz FIDLUUNPAYEBCR-HUUCEWRRSA-N 2 0 293.455 1.838 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCN2CC=CCC2)[C@@H]2CCC[C@H]21 ZINC000367639139 290217979 /nfs/dbraw/zinc/21/79/79/290217979.db2.gz SZLHOVZEVWGRIC-HRCADAONSA-N 2 0 263.429 1.711 10 0 CDAERP C[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH+]2CCCO)[C@H]2CCC[C@H]21 ZINC000453266943 290220200 /nfs/dbraw/zinc/22/02/00/290220200.db2.gz OUZBFGDRDDEXAZ-VVLHAWIVSA-N 2 0 295.471 1.296 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H](CN)C1CCCCC1 ZINC000423260167 292805043 /nfs/dbraw/zinc/80/50/43/292805043.db2.gz GTJBFLLNHFRIDH-KGLIPLIRSA-N 2 0 257.422 1.238 10 0 CDAERP C[C@H]1[NH2+]CC[C@H]1C(=O)NCC1([NH3+])CCCCCC1 ZINC000561182778 293059363 /nfs/dbraw/zinc/05/93/63/293059363.db2.gz PPRSCXKCGOSNQW-VXGBXAGGSA-N 2 0 253.390 1.152 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CNCC1([NH3+])CCC1 ZINC000572969905 294727545 /nfs/dbraw/zinc/72/75/45/294727545.db2.gz NKNCHBYLOUBLHP-UHFFFAOYSA-N 2 0 271.368 1.547 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N(C)CC(C)(C)C[NH3+] ZINC000417525758 299894557 /nfs/dbraw/zinc/89/45/57/299894557.db2.gz BNWOEMDLAKDSDS-KBPBESRZSA-N 2 0 298.475 1.876 10 0 CDAERP NC(=O)C1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000250830288 295035644 /nfs/dbraw/zinc/03/56/44/295035644.db2.gz IVBRUTKLMATXBH-UIEKQHFFSA-N 2 0 293.455 1.931 10 0 CDAERP [NH3+][C@@H]1CC[C@@H](C(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000237937866 295320174 /nfs/dbraw/zinc/32/01/74/295320174.db2.gz MKNKSZJFLZMIEY-CHWSQXEVSA-N 2 0 279.428 1.637 10 0 CDAERP O=C(CC1CC[NH2+]CC1)N1CCC([NH+]2CCCC2)CC1 ZINC000038101741 295468072 /nfs/dbraw/zinc/46/80/72/295468072.db2.gz HYJCRJAXTSWWJZ-UHFFFAOYSA-N 2 0 279.428 1.463 10 0 CDAERP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000453315129 298325420 /nfs/dbraw/zinc/32/54/20/298325420.db2.gz IWZYWSKWJOQUFG-SYQHCUMBSA-N 2 0 254.418 1.998 10 0 CDAERP Cc1ccc2c(c1)[C@H]([NH2+]CCN1CC[NH2+]CC1)CCCO2 ZINC000423202416 301909756 /nfs/dbraw/zinc/90/97/56/301909756.db2.gz KOSHXPIXPXJISU-MRXNPFEDSA-N 2 0 289.423 1.704 10 0 CDAERP FC(F)COCC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420402107 303122534 /nfs/dbraw/zinc/12/25/34/303122534.db2.gz QEOWSYSJXFCALI-NEPJUHHUSA-N 2 0 262.344 1.732 10 0 CDAERP [NH3+]CCCNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000416845369 303379185 /nfs/dbraw/zinc/37/91/85/303379185.db2.gz RQQNOHOSJSRKSG-GFCCVEGCSA-N 2 0 296.440 1.533 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000334930415 303397619 /nfs/dbraw/zinc/39/76/19/303397619.db2.gz QORRXGKPTFVLKK-KBPBESRZSA-N 2 0 294.443 1.289 10 0 CDAERP CCCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001669924649 1173630480 /nfs/dbraw/zinc/63/04/80/1173630480.db2.gz FDIXIXKMIFUJNU-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000576293004 317113280 /nfs/dbraw/zinc/11/32/80/317113280.db2.gz DRYAVDLECVGBDN-RDBSUJKOSA-N 2 0 282.432 1.238 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)N(C)CCC[NH+](C)C)cc1 ZINC000577832912 317412259 /nfs/dbraw/zinc/41/22/59/317412259.db2.gz SFMZJUSPYNQURW-ZDUSSCGKSA-N 2 0 292.427 1.799 10 0 CDAERP CC(C)[NH+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001673017216 1173817506 /nfs/dbraw/zinc/81/75/06/1173817506.db2.gz ZEDARGSWLGFBLR-UHFFFAOYSA-N 2 0 267.417 1.271 10 0 CDAERP C[C@H]([NH2+][C@@H](CO)C1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000579461879 324191273 /nfs/dbraw/zinc/19/12/73/324191273.db2.gz HAUUBHXVGIZSBO-CFVMTHIKSA-N 2 0 254.418 1.905 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCC[NH2+]C(C)C)[C@@H](C)C1 ZINC000579572327 324219806 /nfs/dbraw/zinc/21/98/06/324219806.db2.gz ZDLAUDWAWGPYOQ-LSDHHAIUSA-N 2 0 298.475 1.746 10 0 CDAERP [NH3+]CC12CCC(CC1)CN2C(=O)C1([NH3+])CCCCC1 ZINC000584358094 328853897 /nfs/dbraw/zinc/85/38/97/328853897.db2.gz GDFGTWJYZMGKED-UHFFFAOYSA-N 2 0 265.401 1.378 10 0 CDAERP CC[C@H](C(=O)NCC[C@H]1CC[N@H+](CC)C1)[NH+](C)C ZINC001267568868 1159468290 /nfs/dbraw/zinc/46/82/90/1159468290.db2.gz MXRMQZCMSJLOEI-QWHCGFSZSA-N 2 0 255.406 1.175 10 0 CDAERP CCCC[NH2+][C@H](CC)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001267819515 1159605833 /nfs/dbraw/zinc/60/58/33/1159605833.db2.gz DVTJWRDRPKISCW-ZIAGYGMSSA-N 2 0 269.433 1.613 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001671383227 1160156811 /nfs/dbraw/zinc/15/68/11/1160156811.db2.gz AEUWDAPSLXRAHG-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[NH2+]C/C=C/CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001732866170 1160331163 /nfs/dbraw/zinc/33/11/63/1160331163.db2.gz QTHDJIFUJHBNRT-ONEGZZNKSA-N 2 0 279.428 1.534 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)CC1([NH3+])CC1)c1ccccc1 ZINC000398046159 482220195 /nfs/dbraw/zinc/22/01/95/482220195.db2.gz TWNUJDDIPIUIKI-CYBMUJFWSA-N 2 0 261.369 1.287 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000246209703 482285233 /nfs/dbraw/zinc/28/52/33/482285233.db2.gz FTAZDMCNEWTPIZ-QEJZJMRPSA-N 2 0 273.380 1.117 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000227374144 482449670 /nfs/dbraw/zinc/44/96/70/482449670.db2.gz QMEMCBLPBCXWNM-RRFJBIMHSA-N 2 0 279.428 1.448 10 0 CDAERP CCN(C(=O)NC[C@H]1CC[NH+](C2CC2)C1)[C@@H]1CC[N@H+](C)C1 ZINC000663682835 482499132 /nfs/dbraw/zinc/49/91/32/482499132.db2.gz IZLPRXKPLNHGAB-UKRRQHHQSA-N 2 0 294.443 1.206 10 0 CDAERP OC1CCC(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000227637766 482507404 /nfs/dbraw/zinc/50/74/04/482507404.db2.gz QRHIHCNPYPAJNF-RAFNIBEQSA-N 2 0 252.402 1.754 10 0 CDAERP COC1CCN(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000671750254 482616652 /nfs/dbraw/zinc/61/66/52/482616652.db2.gz RZVWRYMEZUGLAQ-BRWVUGGUSA-N 2 0 295.471 1.560 10 0 CDAERP Cn1cncc1CC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000672842794 482622723 /nfs/dbraw/zinc/62/27/23/482622723.db2.gz ZIWGQFRBKYCXMY-UHFFFAOYSA-N 2 0 282.307 1.182 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCn2cncn2)[C@H]2CCC[C@H]21 ZINC000671756480 482692810 /nfs/dbraw/zinc/69/28/10/482692810.db2.gz DJEQMVVROGZZPU-HZSPNIEDSA-N 2 0 263.389 1.131 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC/C=C\C[NH3+] ZINC000669365950 482746782 /nfs/dbraw/zinc/74/67/82/482746782.db2.gz MYMLOSUNWDFKSR-VQTKUKTRSA-N 2 0 282.432 1.455 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCCC1CC[NH2+]CC1 ZINC000094462094 482789375 /nfs/dbraw/zinc/78/93/75/482789375.db2.gz HKDZLBCVSRYUSC-GDBMZVCRSA-N 2 0 265.445 1.935 10 0 CDAERP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C[C@H]1CC ZINC000168073746 482959262 /nfs/dbraw/zinc/95/92/62/482959262.db2.gz CFODUIDFFIHNLL-KFWWJZLASA-N 2 0 297.443 1.073 10 0 CDAERP Cc1nc(CC[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cs1 ZINC000667023742 483056385 /nfs/dbraw/zinc/05/63/85/483056385.db2.gz IXINBIRFOAYVHF-PWSUYJOCSA-N 2 0 253.415 1.972 10 0 CDAERP C[NH+](C)C1(CNC(=O)[C@H]2CCC[C@@H]2C[NH3+])CCCCC1 ZINC000089459335 483086061 /nfs/dbraw/zinc/08/60/61/483086061.db2.gz KLSFTSPDAFUJDD-KGLIPLIRSA-N 2 0 281.444 1.742 10 0 CDAERP O=C(C[C@H]1CC[NH2+]C1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000089748172 483131412 /nfs/dbraw/zinc/13/14/12/483131412.db2.gz LNFUCMBTWXKOHK-KGLIPLIRSA-N 2 0 265.401 1.073 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N1CCC(C)([NH3+])CC1 ZINC000669469266 483180712 /nfs/dbraw/zinc/18/07/12/483180712.db2.gz PPDIGSBZERAMPI-KBPBESRZSA-N 2 0 296.459 1.772 10 0 CDAERP C[C@@H](NCc1ccc(OCC[NH+]2CCCC2)cc1)[C@H](C)[NH3+] ZINC000666930236 483208423 /nfs/dbraw/zinc/20/84/23/483208423.db2.gz FQGKRZZETPGRCY-LSDHHAIUSA-N 2 0 291.439 1.987 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000653046099 483239147 /nfs/dbraw/zinc/23/91/47/483239147.db2.gz HJZQXSSLZLIZHU-ZDUSSCGKSA-N 2 0 261.369 1.060 10 0 CDAERP CCNC(=O)C[N@H+](C)Cc1cc(-n2ccnc2)cs1 ZINC000680327146 483309566 /nfs/dbraw/zinc/30/95/66/483309566.db2.gz MGLMQDLCNCBORS-UHFFFAOYSA-N 2 0 278.381 1.502 10 0 CDAERP CCOC1CC(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)C1 ZINC000671677213 483316399 /nfs/dbraw/zinc/31/63/99/483316399.db2.gz RJNNLSMSQCEMLX-UHFFFAOYSA-N 2 0 295.471 1.515 10 0 CDAERP C(CC[NH+]1CCOCC1)C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000667787918 483428178 /nfs/dbraw/zinc/42/81/78/483428178.db2.gz CLIZFNHGZMYILR-ILXRZTDVSA-N 2 0 252.402 1.877 10 0 CDAERP COC[C@@](C)(CO)[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000680335519 483586546 /nfs/dbraw/zinc/58/65/46/483586546.db2.gz ULZKPHXPKWYOHV-OAHLLOKOSA-N 2 0 290.367 1.063 10 0 CDAERP C[C@@H](NC(=O)N(C)CCC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000680512040 483644627 /nfs/dbraw/zinc/64/46/27/483644627.db2.gz XOGFVDVHJCLOEY-CYBMUJFWSA-N 2 0 284.448 1.310 10 0 CDAERP COCCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001483172491 1160779466 /nfs/dbraw/zinc/77/94/66/1160779466.db2.gz QTWQCEOEZRQIMW-CABCVRRESA-N 2 0 299.459 1.380 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)[C@@H](C)COC)O1 ZINC000052511887 519936902 /nfs/dbraw/zinc/93/69/02/519936902.db2.gz SNEJUUGXEBLBDE-MJBXVCDLSA-N 2 0 258.406 1.500 10 0 CDAERP CC[NH2+]Cc1cn(CC[N@@H+]2CC[C@H](C)C[C@@H]2C)nn1 ZINC000052510080 520014150 /nfs/dbraw/zinc/01/41/50/520014150.db2.gz IDNIGCTWEPOBRJ-STQMWFEESA-N 2 0 265.405 1.508 10 0 CDAERP CCO[C@H](C[NH3+])CCN1CC[NH+]([C@H](C)CC)CC1 ZINC000062741261 520516075 /nfs/dbraw/zinc/51/60/75/520516075.db2.gz KBIXCFXJDWDCCC-KGLIPLIRSA-N 2 0 257.422 1.156 10 0 CDAERP C[C@@H](CCC[NH2+]C/C=C/Cl)NC(=O)C[NH+]1CCCC1 ZINC001485748875 1161283092 /nfs/dbraw/zinc/28/30/92/1161283092.db2.gz PRBYCGVBHJVEGZ-IYNGYCSASA-N 2 0 287.835 1.709 10 0 CDAERP CN(C)C[C@@H]1CCC[N@@H+]1CCCCC[NH2+]C1CC1 ZINC000061654654 521838717 /nfs/dbraw/zinc/83/87/17/521838717.db2.gz DCLXVMZSOCPIBJ-HNNXBMFYSA-N 2 0 253.434 1.935 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1CC[NH2+]Cc1ccccc1 ZINC000061655190 521869342 /nfs/dbraw/zinc/86/93/42/521869342.db2.gz AFMQMRPNXMVKJN-MRXNPFEDSA-N 2 0 261.413 1.802 10 0 CDAERP CC(C)[C@@H](CC[NH3+])CCC(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000079276464 517461318 /nfs/dbraw/zinc/46/13/18/517461318.db2.gz FXECUJSTCYWIER-UONOGXRCSA-N 2 0 269.433 1.456 10 0 CDAERP CC(C)(C)[NH2+]Cc1ccccc1N1CC[NH+](CCO)CC1 ZINC000062736244 518766324 /nfs/dbraw/zinc/76/63/24/518766324.db2.gz NFNKKMWBEFQIHE-UHFFFAOYSA-N 2 0 291.439 1.689 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)[C@H]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000055134794 519716442 /nfs/dbraw/zinc/71/64/42/519716442.db2.gz GGKXBXSKMLPTQW-ZNMIVQPWSA-N 2 0 283.460 1.796 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000055088224 519724988 /nfs/dbraw/zinc/72/49/88/519724988.db2.gz PPWVALCYTMZWOX-KBPBESRZSA-N 2 0 267.417 1.304 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CC[C@@H](C[N@@H+]2CCOC(C)(C)C2)O1 ZINC000052481900 519745281 /nfs/dbraw/zinc/74/52/81/519745281.db2.gz RDPGLOYXQRAGEA-GJZGRUSLSA-N 2 0 284.444 1.890 10 0 CDAERP CC(C)[C@@H](CNC(=O)[C@](C)([NH3+])c1ccccc1)[NH+](C)C ZINC000052882669 519794724 /nfs/dbraw/zinc/79/47/24/519794724.db2.gz GPXPIZZRKVAENU-GDBMZVCRSA-N 2 0 277.412 1.563 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000236770869 519842787 /nfs/dbraw/zinc/84/27/87/519842787.db2.gz DICSCQYTECPQHW-CABCVRRESA-N 2 0 281.444 1.742 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000236770799 519842956 /nfs/dbraw/zinc/84/29/56/519842956.db2.gz DICSCQYTECPQHW-HUUCEWRRSA-N 2 0 281.444 1.742 10 0 CDAERP CCCC(C[NH3+])(CCC)C(=O)NCC[N@H+](C)CCOC ZINC000061379872 519884975 /nfs/dbraw/zinc/88/49/75/519884975.db2.gz STAUAICBBBJHNZ-UHFFFAOYSA-N 2 0 287.448 1.226 10 0 CDAERP CC[NH2+]CCC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000061298520 519916193 /nfs/dbraw/zinc/91/61/93/519916193.db2.gz KSNUZEFRYNRQRX-UHFFFAOYSA-N 2 0 255.406 1.411 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000061267217 519935982 /nfs/dbraw/zinc/93/59/82/519935982.db2.gz ITORSEPEPYFUHY-CHWSQXEVSA-N 2 0 257.422 1.325 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@H](C[N@H+](C)C[C@@H]2CCCO2)O1 ZINC000052541056 519978877 /nfs/dbraw/zinc/97/88/77/519978877.db2.gz CPCMVOSDFQRDMZ-HZSPNIEDSA-N 2 0 256.390 1.254 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@H](C[N@H+](C)CCc2ccccn2)O1 ZINC000052423960 519980407 /nfs/dbraw/zinc/98/04/07/519980407.db2.gz WKCJBZGFSRAWKS-HZPDHXFCSA-N 2 0 277.412 1.713 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000061273740 520064856 /nfs/dbraw/zinc/06/48/56/520064856.db2.gz OBJSNWBHYDEWDH-STQMWFEESA-N 2 0 257.422 1.467 10 0 CDAERP CCC(C)(C)[N@H+](C)CCCC[C@@](C)([NH2+]C)C(N)=O ZINC000069446559 521301131 /nfs/dbraw/zinc/30/11/31/521301131.db2.gz ZAUVSFCMZSWLFF-CQSZACIVSA-N 2 0 257.422 1.741 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C)CC1 ZINC000055129377 521555996 /nfs/dbraw/zinc/55/59/96/521555996.db2.gz MLFQVMUTUPKPKS-BPLDGKMQSA-N 2 0 281.444 1.693 10 0 CDAERP CC[NH+]1CCC([C@@H](C)[NH2+][C@H]2CCCS(=O)(=O)C2)CC1 ZINC000069142291 521584740 /nfs/dbraw/zinc/58/47/40/521584740.db2.gz XUFYVCUUZWIOSS-OCCSQVGLSA-N 2 0 288.457 1.274 10 0 CDAERP CCC1(C(=O)N[C@@H](C)CC[NH+](C)C)CC[NH2+]CC1 ZINC000062849980 521669764 /nfs/dbraw/zinc/66/97/64/521669764.db2.gz AXHVGUJBIINTHP-LBPRGKRZSA-N 2 0 255.406 1.223 10 0 CDAERP CC[NH+]1CCN(c2c(C[NH2+]CC(C)C)c(C)nn2C)CC1 ZINC000062734841 521696457 /nfs/dbraw/zinc/69/64/57/521696457.db2.gz PFCDOOPNMBGKIA-UHFFFAOYSA-N 2 0 293.459 1.616 10 0 CDAERP CC[NH+]1CCN(c2cccc(C[NH2+]CC(C)C)n2)CC1 ZINC000051436518 521700102 /nfs/dbraw/zinc/70/01/02/521700102.db2.gz WBVDGOORNMWJKU-UHFFFAOYSA-N 2 0 276.428 1.969 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)C[NH2+]C1CCCC1 ZINC000061645131 521862138 /nfs/dbraw/zinc/86/21/38/521862138.db2.gz NDCQVGWEOYNUSZ-CYBMUJFWSA-N 2 0 253.390 1.071 10 0 CDAERP C[NH2+]C1CCN(C(=O)[C@](C)([NH3+])c2ccccc2)CC1 ZINC000195232416 521950225 /nfs/dbraw/zinc/95/02/25/521950225.db2.gz AIQQXMMXGFDEOQ-OAHLLOKOSA-N 2 0 261.369 1.071 10 0 CDAERP COCC[C@H]([NH3+])CN1CC[NH+](Cc2ccccc2)CC1 ZINC000052810540 521951539 /nfs/dbraw/zinc/95/15/39/521951539.db2.gz GVYWZLPXUWMMHE-INIZCTEOSA-N 2 0 277.412 1.168 10 0 CDAERP C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CC[N@H+](C)CCOC ZINC000061380877 521954678 /nfs/dbraw/zinc/95/46/78/521954678.db2.gz KNEOBHHVNAWNON-GOOCMWNKSA-N 2 0 269.433 1.170 10 0 CDAERP COc1cc(C(N)=[NH2+])ccc1OCCC[NH+]1CCCC1 ZINC000049333012 522047666 /nfs/dbraw/zinc/04/76/66/522047666.db2.gz LBMGEMVCMFANPR-UHFFFAOYSA-N 2 0 277.368 1.844 10 0 CDAERP C[NH2+]Cc1ccc(OCC[N@H+](C)CCOC)cc1 ZINC000052572857 522122578 /nfs/dbraw/zinc/12/25/78/522122578.db2.gz HQDFOCIVKZHUNT-UHFFFAOYSA-N 2 0 252.358 1.363 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(c2nnc(C)c(C)c2C[NH3+])CC1 ZINC000055063358 522136078 /nfs/dbraw/zinc/13/60/78/522136078.db2.gz YPWKKUDKTRNJQF-LLVKDONJSA-N 2 0 277.416 1.473 10 0 CDAERP CC[C@H](C[NH2+]C1CC1)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055074635 522191954 /nfs/dbraw/zinc/19/19/54/522191954.db2.gz MZTSXTUDRVKTCE-DZGCQCFKSA-N 2 0 253.434 1.933 10 0 CDAERP CN(C(=O)CC1CCC([NH3+])CC1)[C@@H]1CCC[N@H+](C)C1 ZINC000055131540 523795315 /nfs/dbraw/zinc/79/53/15/523795315.db2.gz HSRRBMXIGONDCY-JXQTWKCFSA-N 2 0 267.417 1.447 10 0 CDAERP C[NH+]1CCN(CC[NH2+][C@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC000069392386 523903754 /nfs/dbraw/zinc/90/37/54/523903754.db2.gz GZCCLCUZDGADFY-STQMWFEESA-N 2 0 293.377 1.945 10 0 CDAERP CN(C(=O)[C@H]1CCCC[C@H]1[NH3+])C1CC[NH+](C)CC1 ZINC000055086202 523906994 /nfs/dbraw/zinc/90/69/94/523906994.db2.gz BCSFBTNCPPMCMH-QWHCGFSZSA-N 2 0 253.390 1.057 10 0 CDAERP CC[C@H](C)[NH+]1CCN(Cc2cc(C[NH3+])oc2C)CC1 ZINC000055074214 523955398 /nfs/dbraw/zinc/95/53/98/523955398.db2.gz QPCBMMUFSLDRNI-LBPRGKRZSA-N 2 0 265.401 1.963 10 0 CDAERP C[NH+](C)CCCOC[C@H]1CC[C@H](C[NH2+]C2CC2)O1 ZINC000052672648 524058215 /nfs/dbraw/zinc/05/82/15/524058215.db2.gz RXUOKDTZTMAVAP-ZIAGYGMSSA-N 2 0 256.390 1.254 10 0 CDAERP C[C@H]1CCC[C@@H](C(=O)NC[C@@H]2CCC[N@H+](C)C2)[C@@H]1[NH3+] ZINC000055138516 524126722 /nfs/dbraw/zinc/12/67/22/524126722.db2.gz SDHNXBRGPISBNN-IGQOVBAYSA-N 2 0 267.417 1.208 10 0 CDAERP C[C@H]1CCC[C@@H](C(=O)NCC2CC[NH+](C)CC2)[C@@H]1[NH3+] ZINC000055140196 524127130 /nfs/dbraw/zinc/12/71/30/524127130.db2.gz KAENHXRXSJLPSY-IACUBPJLSA-N 2 0 267.417 1.208 10 0 CDAERP C[C@H](CCC[NH2+]C(C)(C)C)[N@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000052482893 524141696 /nfs/dbraw/zinc/14/16/96/524141696.db2.gz MORLXQSFLVPHKK-CHWSQXEVSA-N 2 0 290.473 1.662 10 0 CDAERP C[C@H]1CCC[C@H](C(=O)NCC[NH+]2CCCCC2)[NH2+]1 ZINC000049575578 524176203 /nfs/dbraw/zinc/17/62/03/524176203.db2.gz XSZNLYFZWJCMAR-QWHCGFSZSA-N 2 0 253.390 1.119 10 0 CDAERP C[C@H]1CCC[C@H]([N@H+](C)CCN2CCC[NH2+]CC2)C1 ZINC000061275355 524202429 /nfs/dbraw/zinc/20/24/29/524202429.db2.gz PTAWFTFRBWEERE-GJZGRUSLSA-N 2 0 253.434 1.792 10 0 CDAERP C[C@@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)NCCCC[NH+](C)C ZINC000055138978 524301660 /nfs/dbraw/zinc/30/16/60/524301660.db2.gz VVURGLDYXJHJJV-JHJVBQTASA-N 2 0 255.406 1.208 10 0 CDAERP C[C@H]1CC[C@@H]([NH3+])C[C@@H]1C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000055134934 524361616 /nfs/dbraw/zinc/36/16/16/524361616.db2.gz XVNGGMBOEBUHNZ-CFVMTHIKSA-N 2 0 281.444 1.550 10 0 CDAERP C[C@H]1CC[C@H](C(=O)N2CC[NH+](C(C)(C)C)CC2)C[C@@H]1[NH3+] ZINC000055141053 524379409 /nfs/dbraw/zinc/37/94/09/524379409.db2.gz RADJIWTVCZQUPJ-IHRRRGAJSA-N 2 0 281.444 1.693 10 0 CDAERP C[C@@H]1CC[C@H](C(=O)N2CC[NH+](C(C)(C)C)CC2)C[C@@H]1[NH3+] ZINC000055141051 524630920 /nfs/dbraw/zinc/63/09/20/524630920.db2.gz RADJIWTVCZQUPJ-RDBSUJKOSA-N 2 0 281.444 1.693 10 0 CDAERP C[C@@H](C[NH2+]C[C@H]1CCCO1)N(C)CC[NH+]1CCCC1 ZINC000063054334 524741406 /nfs/dbraw/zinc/74/14/06/524741406.db2.gz DKEJRKSPLXZXJC-LSDHHAIUSA-N 2 0 269.433 1.171 10 0 CDAERP C[C@@H](Cc1ccco1)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000062772240 524925850 /nfs/dbraw/zinc/92/58/50/524925850.db2.gz MGTKBDXFVRRXPM-DZGCQCFKSA-N 2 0 291.395 1.107 10 0 CDAERP C[C@@H](NCC[NH+]1CCCCC1)[C@@H]1CCC[N@H+](C)C1 ZINC000049574783 525446562 /nfs/dbraw/zinc/44/65/62/525446562.db2.gz JSTHZWRVAZOIKM-HUUCEWRRSA-N 2 0 253.434 1.792 10 0 CDAERP O[C@H](C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)C(F)(F)F ZINC000068890087 526271103 /nfs/dbraw/zinc/27/11/03/526271103.db2.gz WMTLYVZQNLECJJ-WDEREUQCSA-N 2 0 266.307 1.374 10 0 CDAERP O[C@H]1CCC[C@@H]1[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062033269 526307222 /nfs/dbraw/zinc/30/72/22/526307222.db2.gz LVDGUOJZRLLJGA-GJZGRUSLSA-N 2 0 252.402 1.708 10 0 CDAERP O=C(CC[C@@H]1CCCC[NH2+]1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000050951803 526548308 /nfs/dbraw/zinc/54/83/08/526548308.db2.gz XYHCCLJUEYMMNI-STQMWFEESA-N 2 0 265.401 1.262 10 0 CDAERP NC(=[NH2+])c1ccnc(N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000062980571 526824094 /nfs/dbraw/zinc/82/40/94/526824094.db2.gz FXWWHZFQWJUTKS-LBPRGKRZSA-N 2 0 259.357 1.040 10 0 CDAERP [NH3+]CC[C@@H](c1ccccc1)N1CC[NH+](C2CC2)CC1 ZINC000055016667 527191045 /nfs/dbraw/zinc/19/10/45/527191045.db2.gz GHQLVCZFNWNBJO-INIZCTEOSA-N 2 0 259.397 1.857 10 0 CDAERP [NH3+]CC[C@H]1CCC[C@H](C(=O)N[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000055145789 527195256 /nfs/dbraw/zinc/19/52/56/527195256.db2.gz IHRVWDRHBXGHHM-VHDGCEQUSA-N 2 0 279.428 1.352 10 0 CDAERP [NH3+]CC[C@H]1CCC[C@@H](C(=O)NCC[NH+]2CCCC2)C1 ZINC000055160840 527195608 /nfs/dbraw/zinc/19/56/08/527195608.db2.gz OMSSSAJJBHWATN-ZIAGYGMSSA-N 2 0 267.417 1.354 10 0 CDAERP [NH3+][C@@H]1CCC[C@H](C(=O)N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000055088903 527355086 /nfs/dbraw/zinc/35/50/86/527355086.db2.gz CWVAHKAZZKHNCD-LSDHHAIUSA-N 2 0 293.455 1.981 10 0 CDAERP [NH3+][C@@H]1COc2cc(OCC[NH+]3CCCCC3)ccc21 ZINC000062803554 527375633 /nfs/dbraw/zinc/37/56/33/527375633.db2.gz SLFBHIRSRZMJBP-CQSZACIVSA-N 2 0 262.353 1.944 10 0 CDAERP [NH3+][C@H]1CCC[C@@H](CC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000055136256 527403496 /nfs/dbraw/zinc/40/34/96/527403496.db2.gz UHXPTXKBEKDOHW-CABCVRRESA-N 2 0 281.444 1.886 10 0 CDAERP OC1(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)CC[NH2+]CC1 ZINC000051016004 527506774 /nfs/dbraw/zinc/50/67/74/527506774.db2.gz ACMITIVCIIFAPM-UONOGXRCSA-N 2 0 252.402 1.756 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000418549739 535257704 /nfs/dbraw/zinc/25/77/04/535257704.db2.gz AASUUKJGZRBLPX-QLFBSQMISA-N 2 0 296.459 1.358 10 0 CDAERP CCCC[C@@H](C[NH3+])NC(=O)NC[C@@H](C)[NH+](CC)CC ZINC000417006995 535354247 /nfs/dbraw/zinc/35/42/47/535354247.db2.gz KKPMQVXWEKFVAN-OLZOCXBDSA-N 2 0 272.437 1.533 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000417745136 535449345 /nfs/dbraw/zinc/44/93/45/535449345.db2.gz FIPFSMXWQVMJCK-HUUCEWRRSA-N 2 0 296.459 1.535 10 0 CDAERP CC[N@@H+]1CCCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000418425598 535513775 /nfs/dbraw/zinc/51/37/75/535513775.db2.gz IKSJIUSPDQOTOY-OAHLLOKOSA-N 2 0 290.411 1.424 10 0 CDAERP CC[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)CCN1CC(F)F ZINC000420369680 535860263 /nfs/dbraw/zinc/86/02/63/535860263.db2.gz XZQVIKNLJZRZGV-QWHCGFSZSA-N 2 0 275.387 1.647 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](O)C1CCCCC1 ZINC000422698616 536594764 /nfs/dbraw/zinc/59/47/64/536594764.db2.gz ADBOBLPMKVEMDH-ZIAGYGMSSA-N 2 0 258.406 1.271 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCOc1cccc(C)c1 ZINC000234719288 536595430 /nfs/dbraw/zinc/59/54/30/536595430.db2.gz QEADUEWOSUSWEZ-CQSZACIVSA-N 2 0 266.385 1.717 10 0 CDAERP NC(=O)CC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000309684962 538823374 /nfs/dbraw/zinc/82/33/74/538823374.db2.gz BJJASPNFHGWCMI-ARFHVFGLSA-N 2 0 287.407 1.362 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2CC3(CC3)C(=O)O2)[C@@H](C)C1 ZINC000763725391 576752399 /nfs/dbraw/zinc/75/23/99/576752399.db2.gz BTBXGROGPBMTIL-MJBXVCDLSA-N 2 0 280.412 1.744 10 0 CDAERP C[N@@H+](C/C=C\Cl)CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001689876352 1175292884 /nfs/dbraw/zinc/29/28/84/1175292884.db2.gz WTDGEUMVZNYCBC-RJNRQISESA-N 2 0 287.835 1.519 10 0 CDAERP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@H]3CCC4(COC4)O3)C2)C1 ZINC000930577017 617448974 /nfs/dbraw/zinc/44/89/74/617448974.db2.gz OWNYVVMXZDWTCN-HUUCEWRRSA-N 2 0 280.412 1.352 10 0 CDAERP O[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)C1CCOCC1 ZINC000925619403 617565363 /nfs/dbraw/zinc/56/53/63/617565363.db2.gz NGCBKCOWTPXHFI-BRWVUGGUSA-N 2 0 296.455 1.532 10 0 CDAERP CC1(C)[C@H]([NH2+]C[C@]2(O)CCSC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925622341 617568576 /nfs/dbraw/zinc/56/85/76/617568576.db2.gz JXPAMKMSHIRXNP-GFQSEFKGSA-N 2 0 270.442 1.221 10 0 CDAERP CC1(C)[C@H]([NH2+][C@@H]2CCn3ccnc3C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925642339 617585407 /nfs/dbraw/zinc/58/54/07/617585407.db2.gz FZVPMQLWEKRPRR-RJZRQDKASA-N 2 0 274.412 1.564 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc2c(c1)C[C@@H](C)O2 ZINC000925830907 617850787 /nfs/dbraw/zinc/85/07/87/617850787.db2.gz IHFHNEKYUPWBEK-IUODEOHRSA-N 2 0 278.396 1.854 10 0 CDAERP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925842230 617873286 /nfs/dbraw/zinc/87/32/86/617873286.db2.gz YWYMNDXPCGWLQV-FVQBIDKESA-N 2 0 274.412 1.919 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCN2CC=CCC2)C1 ZINC000925662823 617608852 /nfs/dbraw/zinc/60/88/52/617608852.db2.gz LRTALDPNQNZIIN-UONOGXRCSA-N 2 0 251.418 1.744 10 0 CDAERP CC(C)(C)[C@@H](O)C[C@@H](CO)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925664823 617615587 /nfs/dbraw/zinc/61/55/87/617615587.db2.gz BEMGPOQZMADPIF-RFGFWPKPSA-N 2 0 286.460 1.640 10 0 CDAERP C[C@@H](Cc1cnccn1)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925775511 617665536 /nfs/dbraw/zinc/66/55/36/617665536.db2.gz GVSGDRTUUOXPLV-WDEREUQCSA-N 2 0 270.327 1.242 10 0 CDAERP CC1(C)[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925690875 617694874 /nfs/dbraw/zinc/69/48/74/617694874.db2.gz HVXIYMXUHHKRLF-RFQIPJPRSA-N 3 0 251.418 1.352 10 0 CDAERP C[C@@H](N[C@H](CC[NH+](C)C)c1cccnc1)[C@@H]1CCC[NH2+]1 ZINC000925825588 617808583 /nfs/dbraw/zinc/80/85/83/617808583.db2.gz AQYBAKVMSFPEPD-VNQPRFMTSA-N 2 0 276.428 1.805 10 0 CDAERP C([NH2+][C@H]1CC[NH2+]C12CCC2)C1CC[NH+](CC2CC2)CC1 ZINC000925716532 617835291 /nfs/dbraw/zinc/83/52/91/617835291.db2.gz OOZFSVSEVUEDQS-INIZCTEOSA-N 3 0 277.456 1.983 10 0 CDAERP CCO[C@H](CN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1)C[NH+](C)C ZINC000925839088 617870519 /nfs/dbraw/zinc/87/05/19/617870519.db2.gz PSNUGNLEHOFWQN-HZSPNIEDSA-N 2 0 271.449 1.449 10 0 CDAERP CC1([NH+]2CCC2)CCC([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000925860652 617899554 /nfs/dbraw/zinc/89/95/54/617899554.db2.gz IZHWUWAKRVDHFK-OLDUJTLWSA-N 3 0 289.467 1.979 10 0 CDAERP COC[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)C(C)C ZINC000925873955 617941948 /nfs/dbraw/zinc/94/19/48/617941948.db2.gz OKVWWDPKSXHWRL-XUWVNRHRSA-N 2 0 284.444 1.652 10 0 CDAERP C[NH+](C)CCCN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925503680 618157792 /nfs/dbraw/zinc/15/77/92/618157792.db2.gz OXWYGFODJYDNKF-CABCVRRESA-N 2 0 253.434 1.696 10 0 CDAERP O[C@H](C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)CC(F)(F)F ZINC000923363261 618322513 /nfs/dbraw/zinc/32/25/13/618322513.db2.gz BGCVDQMOIMKMPP-WOPDTQHZSA-N 2 0 280.334 1.764 10 0 CDAERP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CCC[NH2+]C2CC2)C1 ZINC000923392642 618325170 /nfs/dbraw/zinc/32/51/70/618325170.db2.gz KLYLXCGBLLAAGK-FVQBIDKESA-N 2 0 281.444 1.489 10 0 CDAERP COC(=O)CC[C@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923426736 618333610 /nfs/dbraw/zinc/33/36/10/618333610.db2.gz PPDMGXOJDZCMBL-CYBMUJFWSA-N 2 0 268.401 1.794 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC[N@@H+]1C ZINC000928430915 619017176 /nfs/dbraw/zinc/01/71/76/619017176.db2.gz AAUFGSVNZVAFJF-XUJVJEKNSA-N 2 0 285.407 1.408 10 0 CDAERP O=S1(=O)CCC([NH2+]Cc2ccc3c[nH+]cn3c2)CC1 ZINC000894984341 619183782 /nfs/dbraw/zinc/18/37/82/619183782.db2.gz XFROAYHELWYMPW-UHFFFAOYSA-N 2 0 279.365 1.001 10 0 CDAERP CC[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)OC ZINC000895127014 619322505 /nfs/dbraw/zinc/32/25/05/619322505.db2.gz DATSPJGTZQBISO-AGIUHOORSA-N 2 0 254.374 1.402 10 0 CDAERP CCO[C@@H](CC[NH+](C)C)C[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000925240324 620609134 /nfs/dbraw/zinc/60/91/34/620609134.db2.gz IOILESLYFWUFTG-UIDBIOKJSA-N 2 0 284.444 1.890 10 0 CDAERP C1[C@@H]2[C@H]1[C@@H]1O[C@H]2C[C@H]1[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000897814380 621116353 /nfs/dbraw/zinc/11/63/53/621116353.db2.gz RQFTXJRNJHFXJW-AYCBFJCHSA-N 2 0 278.396 1.005 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2ccns2)CC1 ZINC000924667448 621645398 /nfs/dbraw/zinc/64/53/98/621645398.db2.gz KEYNEMMTORLATJ-CHWSQXEVSA-N 2 0 282.457 1.820 10 0 CDAERP C[C@H](NC(=[NH2+])NCC[N@@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000899266066 622130740 /nfs/dbraw/zinc/13/07/40/622130740.db2.gz PFVAQTCIEJSHFR-NEPJUHHUSA-N 2 0 252.406 1.631 10 0 CDAERP C[C@H](NC(=[NH2+])NC1CC([NH+]2CCCCC2)C1)C1CC1 ZINC000899271696 622136288 /nfs/dbraw/zinc/13/62/88/622136288.db2.gz KWEWHEMEMOTYDR-XGNXJENSSA-N 2 0 264.417 1.916 10 0 CDAERP C[C@H](NC(=[NH2+])NC[C@@H]1CCCC[N@@H+]1C1CC1)C1CC1 ZINC000899271591 622136399 /nfs/dbraw/zinc/13/63/99/622136399.db2.gz HIGSCZYXQJGMES-FZMZJTMJSA-N 2 0 264.417 1.916 10 0 CDAERP O=C(N1CCC[C@H]([NH+]2CCCC2)C1)C12CC[NH+](CC1)C2 ZINC000900619650 623304096 /nfs/dbraw/zinc/30/40/96/623304096.db2.gz UURCNXXCMHVYEO-AWEZNQCLSA-N 2 0 277.412 1.169 10 0 CDAERP C[NH+](C)CCC1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC000900696062 623355716 /nfs/dbraw/zinc/35/57/16/623355716.db2.gz XMOSXDJHDKRBOR-KRWDZBQOSA-N 2 0 293.455 1.663 10 0 CDAERP C1C[C@@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)[C@@H]([C@H]2CCCC[NH2+]2)C1 ZINC000902469629 624863069 /nfs/dbraw/zinc/86/30/69/624863069.db2.gz ZDCZOMJCNJBBJV-SDSMMKDESA-N 2 0 263.429 1.780 10 0 CDAERP C(CC[NH2+][C@H]1CCO[C@@]12CCOC2)CC[NH+]1CCCC1 ZINC000903177053 625879630 /nfs/dbraw/zinc/87/96/30/625879630.db2.gz GYUBMYHHJWRIEF-JKSUJKDBSA-N 2 0 282.428 1.790 10 0 CDAERP CC[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@H](C)CS(=O)(=O)CC ZINC000903438020 625991632 /nfs/dbraw/zinc/99/16/32/625991632.db2.gz PRGVNDWPZHPUJP-UPJWGTAASA-N 2 0 276.446 1.259 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000903441070 625993061 /nfs/dbraw/zinc/99/30/61/625993061.db2.gz ITJCILUIFFXTNA-VYDXJSESSA-N 2 0 296.455 1.892 10 0 CDAERP C[C@@H]1CC2(C[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1)CC[NH2+]CC2 ZINC000903459590 625994740 /nfs/dbraw/zinc/99/47/40/625994740.db2.gz LTDKLPPAHRZAMV-MCIONIFRSA-N 3 0 251.418 1.578 10 0 CDAERP COC[C@H](C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1)C(C)C ZINC000903459760 625994806 /nfs/dbraw/zinc/99/48/06/625994806.db2.gz ZEHXXFXYIPTEPU-DZGCQCFKSA-N 2 0 295.431 1.292 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000903460029 625995283 /nfs/dbraw/zinc/99/52/83/625995283.db2.gz UVSLBUFEFYCMCU-OEAJRASXSA-N 3 0 281.444 1.060 10 0 CDAERP CCOC(=O)[C@]1(F)C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC12CCC2 ZINC000903463966 625996763 /nfs/dbraw/zinc/99/67/63/625996763.db2.gz UTJBCSUWVDGCDG-DVOMOZLQSA-N 2 0 298.402 1.871 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@H+](CCN2CCOCC2)CC2CC2)C1 ZINC000903464335 625996899 /nfs/dbraw/zinc/99/68/99/625996899.db2.gz JALXZZFHWATGMQ-JKSUJKDBSA-N 2 0 281.444 1.158 10 0 CDAERP COC(=O)CN(C[C@@H]1C[NH2+]C[C@H]1C)C1CCCC1 ZINC000903456276 626002190 /nfs/dbraw/zinc/00/21/90/626002190.db2.gz FGKMAHVQBRYFCR-NEPJUHHUSA-N 2 0 254.374 1.260 10 0 CDAERP C(C[NH2+][C@@H]1CC[NH2+]C12CCC2)CO[C@@H]1CCOC1 ZINC000903470321 626003475 /nfs/dbraw/zinc/00/34/75/626003475.db2.gz KYAXVFMNOOUEEM-CHWSQXEVSA-N 2 0 254.374 1.056 10 0 CDAERP FC(F)(F)COCCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903470056 626003547 /nfs/dbraw/zinc/00/35/47/626003547.db2.gz DYQZJFAJXBKJHH-JTQLQIEISA-N 2 0 266.307 1.830 10 0 CDAERP NC(=O)Cc1cccc2c1CC[N@H+](C[C@H]1CC[C@@H]([NH3+])C1)C2 ZINC000903477134 626005318 /nfs/dbraw/zinc/00/53/18/626005318.db2.gz VSVCLAYUEVUJNF-SWLSCSKDSA-N 2 0 287.407 1.200 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)Nc2ccc(F)c(F)c2)C[C@H]1CC[NH3+] ZINC000903494328 626011414 /nfs/dbraw/zinc/01/14/14/626011414.db2.gz CBNILAJSIOAGNJ-GHMZBOCLSA-N 2 0 297.349 1.820 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)N(C)[C@@H]2CCCC[C@H]2C)C[C@H]1CC[NH3+] ZINC000903496721 626011884 /nfs/dbraw/zinc/01/18/84/626011884.db2.gz ABLJUTQJOMZIHT-KLHDSHLOSA-N 2 0 295.471 1.940 10 0 CDAERP CC(C)OCCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903511422 626012937 /nfs/dbraw/zinc/01/29/37/626012937.db2.gz SKFIPEUXMUATEX-IYBDPMFKSA-N 2 0 281.444 1.312 10 0 CDAERP CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](CCCC3CC[NH2+]CC3)C[C@@H]21 ZINC000903563455 626020423 /nfs/dbraw/zinc/02/04/23/626020423.db2.gz CVTWQZSGLFCLPD-OWCLPIDISA-N 2 0 294.439 1.897 10 0 CDAERP C([C@@H]1C[C@H]2COC[C@H]2O1)[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000903713183 626069382 /nfs/dbraw/zinc/06/93/82/626069382.db2.gz HQEWIHWOEQBYHF-TUKIKUTGSA-N 2 0 266.385 1.007 10 0 CDAERP C([C@H]1CCCC[NH2+]C1)N1CC[NH2+]CC12CCCCC2 ZINC000903741196 626079153 /nfs/dbraw/zinc/07/91/53/626079153.db2.gz OHPRVFBTHVPWOB-HNNXBMFYSA-N 2 0 265.445 1.984 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C[C@H]([NH3+])CC(F)F)[C@@H](C)C1 ZINC000903896135 626136295 /nfs/dbraw/zinc/13/62/95/626136295.db2.gz SMUFEKDIRPIXPP-TUAOUCFPSA-N 2 0 263.376 1.631 10 0 CDAERP CC[C@@H]1CCC[N@@H+]1C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903903943 626140093 /nfs/dbraw/zinc/14/00/93/626140093.db2.gz NJPMGBINKRFLID-UKRRQHHQSA-N 2 0 264.417 1.720 10 0 CDAERP Cc1ccccc1CC[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903921088 626146902 /nfs/dbraw/zinc/14/69/02/626146902.db2.gz MTTSLBWZUXOGSY-INIZCTEOSA-N 2 0 299.422 1.843 10 0 CDAERP c1c(CC[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)nc2ccccn12 ZINC000903925565 626148516 /nfs/dbraw/zinc/14/85/16/626148516.db2.gz GWOCZCIBZXZEJJ-GOOCMWNKSA-N 2 0 284.407 1.997 10 0 CDAERP c1nnn([C@H]2CCC[NH2+]C2)c1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000903929997 626150137 /nfs/dbraw/zinc/15/01/37/626150137.db2.gz PSRBPRUNTJJUCZ-PAPYEOQZSA-N 2 0 275.400 1.481 10 0 CDAERP [NH3+]Cc1ccc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c(F)c1 ZINC000903931412 626151446 /nfs/dbraw/zinc/15/14/46/626151446.db2.gz CXBBJJGRPGHFNS-LQDVMPOASA-N 3 0 277.387 1.905 10 0 CDAERP FC1(F)CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCCSC1 ZINC000903957007 626157772 /nfs/dbraw/zinc/15/77/72/626157772.db2.gz OWIJLEZEJKGQEB-NXEZZACHSA-N 2 0 250.358 1.716 10 0 CDAERP COC[C@H]([NH2+][C@H](C)C[C@@H]1CCC[NH2+]1)[C@@H]1CCCOC1 ZINC000903959393 626159368 /nfs/dbraw/zinc/15/93/68/626159368.db2.gz HGCWVXZGXMNNCB-KBXIAJHMSA-N 2 0 270.417 1.548 10 0 CDAERP CC(C)[C@H](C[NH3+])CN1CCc2sc(C[NH3+])nc2C1 ZINC000903945435 626163205 /nfs/dbraw/zinc/16/32/05/626163205.db2.gz VABADBSPIARDGD-SNVBAGLBSA-N 2 0 268.430 1.191 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cn(C)nc1-c1cccnc1 ZINC000903974194 626169130 /nfs/dbraw/zinc/16/91/30/626169130.db2.gz LNKZMJZCBUSVFH-ZIAGYGMSSA-N 2 0 299.422 1.817 10 0 CDAERP Cc1nn2c(C[NH2+]CC[C@@H]3C[NH2+]C[C@H]3C)c(C)nc2s1 ZINC000903974147 626169230 /nfs/dbraw/zinc/16/92/30/626169230.db2.gz KDMLXMWGZYYXIY-BXKDBHETSA-N 2 0 293.440 1.743 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1ccc(O)cc1 ZINC000924800829 626340986 /nfs/dbraw/zinc/34/09/86/626340986.db2.gz LQOZNNUIISHYIQ-MZBDJJRSSA-N 2 0 260.381 1.865 10 0 CDAERP C[NH+](C)C1(CNC(=[NH2+])NC[C@H]2CCCS2)CCCC1 ZINC000905041530 626380743 /nfs/dbraw/zinc/38/07/43/626380743.db2.gz JOZYBTHAAAFOTD-GFCCVEGCSA-N 2 0 284.473 1.870 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])NC[C@H]2CCCS2)C1 ZINC000905041929 626381274 /nfs/dbraw/zinc/38/12/74/626381274.db2.gz LOAPOTLVOZBVSI-CHWSQXEVSA-N 2 0 284.473 1.728 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])NC[C@H]2CCCS2)C1 ZINC000905041931 626381387 /nfs/dbraw/zinc/38/13/87/626381387.db2.gz LOAPOTLVOZBVSI-QWHCGFSZSA-N 2 0 284.473 1.728 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=[NH2+])NC[C@H]2CCCS2)C1 ZINC000905043706 626383087 /nfs/dbraw/zinc/38/30/87/626383087.db2.gz YJNPJNHWPKEWQK-CHWSQXEVSA-N 2 0 284.473 1.726 10 0 CDAERP CC(C)(C)[NH2+]Cc1cn(CCC[NH+]2CCSCC2)nn1 ZINC000905057095 626607053 /nfs/dbraw/zinc/60/70/53/626607053.db2.gz NBXBKCDFKIZFEQ-UHFFFAOYSA-N 2 0 297.472 1.605 10 0 CDAERP CCN1CCC([N@H+](C)C[C@@H](O)C2(O)CCCC2)CC1 ZINC000905938902 627052450 /nfs/dbraw/zinc/05/24/50/627052450.db2.gz XIDJRFDIBDWISZ-CQSZACIVSA-N 2 0 270.417 1.069 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+](CC)C[C@H]2C)CC[N@@H+]1C ZINC000910265460 628936601 /nfs/dbraw/zinc/93/66/01/628936601.db2.gz HKFVUCYRWDGPDV-QLFBSQMISA-N 2 0 281.444 1.659 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCn3cncc32)C1 ZINC000912585520 630079564 /nfs/dbraw/zinc/07/95/64/630079564.db2.gz XRWMRONGSOYWFY-OLZOCXBDSA-N 2 0 276.384 1.566 10 0 CDAERP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912914064 630282592 /nfs/dbraw/zinc/28/25/92/630282592.db2.gz UMEMKHPYFVUNDA-CVEARBPZSA-N 2 0 291.439 1.700 10 0 CDAERP CC[C@H](C(=O)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1)[NH+](CC)CC ZINC000913287931 630435989 /nfs/dbraw/zinc/43/59/89/630435989.db2.gz KRVOAVOGDKMFBW-OIISXLGYSA-N 2 0 295.471 1.907 10 0 CDAERP C[C@@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C)[NH+]1CCCCC1 ZINC000914294309 631323757 /nfs/dbraw/zinc/32/37/57/631323757.db2.gz XQFYJRUKODTZQL-MJBXVCDLSA-N 2 0 282.432 1.253 10 0 CDAERP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000914315212 631335159 /nfs/dbraw/zinc/33/51/59/631335159.db2.gz NGPHZSROMXRRLB-HUUCEWRRSA-N 2 0 296.459 1.452 10 0 CDAERP C[C@@H]1[C@H](NC(=O)NCC[NH+](C)C2CCCC2)CC[N@@H+]1C ZINC000916980062 632117920 /nfs/dbraw/zinc/11/79/20/632117920.db2.gz YAUQAGVCDBAAPO-TZMCWYRMSA-N 2 0 282.432 1.253 10 0 CDAERP CC[N@@H+]1CC[C@@H]1CNC(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000924022881 632652493 /nfs/dbraw/zinc/65/24/93/632652493.db2.gz UVDOLDAPNIEGBI-CQSZACIVSA-N 2 0 291.399 1.041 10 0 CDAERP CCCN(CC[NH+]1CCCC1)C(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000925345303 633183953 /nfs/dbraw/zinc/18/39/53/633183953.db2.gz VAEUEYNZTLYNOS-GJZGRUSLSA-N 2 0 296.459 1.596 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+]Cc2cccc3[nH]c(=O)oc32)CC1 ZINC000921770400 633282757 /nfs/dbraw/zinc/28/27/57/633282757.db2.gz RDKOUCKJMKFVRH-UHFFFAOYSA-N 2 0 291.351 1.080 10 0 CDAERP CC1CC(C[NH2+]CCN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001266988338 1159070674 /nfs/dbraw/zinc/07/06/74/1159070674.db2.gz INYHKZNBZTXJEA-SLTAFYQDSA-N 2 0 281.444 1.422 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N(C)CCC[NH2+]CC2CCC2)C1 ZINC001699534218 1158449099 /nfs/dbraw/zinc/44/90/99/1158449099.db2.gz VDAJGNBUXRATIQ-AWEZNQCLSA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH2+]Cc1ccccn1 ZINC001699554362 1158456153 /nfs/dbraw/zinc/45/61/53/1158456153.db2.gz PMDXWPQBBLVADO-UHFFFAOYSA-N 2 0 292.427 1.360 10 0 CDAERP Cc1ccc(C[C@@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC001649722577 1158581059 /nfs/dbraw/zinc/58/10/59/1158581059.db2.gz AGEYALPRYCUZRI-OAHLLOKOSA-N 2 0 276.424 1.972 10 0 CDAERP c1cnc(C2([NH2+]CC3CC[NH2+]CC3)CCOCC2)nc1 ZINC001772529162 1158719704 /nfs/dbraw/zinc/71/97/04/1158719704.db2.gz DLYOYELBONEATP-UHFFFAOYSA-N 2 0 276.384 1.072 10 0 CDAERP CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001268062920 1159767140 /nfs/dbraw/zinc/76/71/40/1159767140.db2.gz FQYRIFDGSWNOGR-JSGCOSHPSA-N 2 0 267.417 1.175 10 0 CDAERP C[C@@H](C[NH2+]CCCF)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001482330701 1160154516 /nfs/dbraw/zinc/15/45/16/1160154516.db2.gz LLANZVKZWDBAJG-OLZOCXBDSA-N 2 0 273.396 1.124 10 0 CDAERP CCOCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001733037700 1160466390 /nfs/dbraw/zinc/46/63/90/1160466390.db2.gz JXAGKJZDGVYKBC-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP [NH2+]=C(NCCC1CC1)NCC[NH+]1CCCCCC1 ZINC000864453500 1164544979 /nfs/dbraw/zinc/54/49/79/1164544979.db2.gz XFYUUQBGOJNYBP-UHFFFAOYSA-N 2 0 252.406 1.776 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2ccnc(N)c2)C1 ZINC000866707076 1164813202 /nfs/dbraw/zinc/81/32/02/1164813202.db2.gz LQJJSQVHBPBFQZ-OAHLLOKOSA-N 2 0 262.401 1.861 10 0 CDAERP Nc1cc[nH+]cc1-c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871797060 1165347644 /nfs/dbraw/zinc/34/76/44/1165347644.db2.gz YEABRXHKZRNSOB-PBINXNQUSA-N 2 0 271.324 1.542 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NCCC[NH+]1CCCC1 ZINC001624428416 1165839727 /nfs/dbraw/zinc/83/97/27/1165839727.db2.gz HHDVQUCWNQYHFQ-ZDUSSCGKSA-N 2 0 255.406 1.176 10 0 CDAERP CC[C@@H]1C[N@H+](C)CCCN1C(=O)[C@H]1CCN1CC ZINC001634418007 1166498216 /nfs/dbraw/zinc/49/82/16/1166498216.db2.gz RQIRXVUKZBNBER-CHWSQXEVSA-N 2 0 253.390 1.023 10 0 CDAERP CCC[NH2+]C/C=C/CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001274154637 1166576717 /nfs/dbraw/zinc/57/67/17/1166576717.db2.gz UAAWKOKAEKNEKN-SNAWJCMRSA-N 2 0 286.379 1.928 10 0 CDAERP CCN(CCC[NH+](CC)CC)C(=O)[C@@H]1CC[N@@H+]1CC ZINC001638806490 1166874568 /nfs/dbraw/zinc/87/45/68/1166874568.db2.gz GGQKYNIPMRTHCK-AWEZNQCLSA-N 2 0 269.433 1.661 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC1CC1 ZINC001567524479 1168062064 /nfs/dbraw/zinc/06/20/64/1168062064.db2.gz SQNBRXCAJPOMGO-HNNXBMFYSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)C[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001567198815 1168615456 /nfs/dbraw/zinc/61/54/56/1168615456.db2.gz PASIOFBHBDGRID-AWEZNQCLSA-N 2 0 269.433 1.517 10 0 CDAERP [NH3+]CC1CCC([NH2+]Cc2nc3c(s2)COCC3)CC1 ZINC001647441464 1168694725 /nfs/dbraw/zinc/69/47/25/1168694725.db2.gz YCQJLNBXNOZXDH-UHFFFAOYSA-N 2 0 281.425 1.823 10 0 CDAERP CC/C=C/CC[NH+]1CC(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001567841082 1169008708 /nfs/dbraw/zinc/00/87/08/1169008708.db2.gz OIIDOGMBQXOVLX-RGDDUWESSA-N 2 0 293.455 1.733 10 0 CDAERP CC[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CCCF ZINC001567985034 1169107394 /nfs/dbraw/zinc/10/73/94/1169107394.db2.gz YOETZSLKOGONHX-STQMWFEESA-N 2 0 273.396 1.172 10 0 CDAERP CCCCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001568291439 1169226903 /nfs/dbraw/zinc/22/69/03/1169226903.db2.gz JOMJSVOXYAUBAZ-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP C[C@@H](C[NH2+]CCc1ccns1)N(C)C(=O)CC[NH+](C)C ZINC001568296617 1169228973 /nfs/dbraw/zinc/22/89/73/1169228973.db2.gz CWDZAFBVHCWJLL-LBPRGKRZSA-N 2 0 298.456 1.074 10 0 CDAERP CC[NH+](CC)C1CCN(C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001649926892 1169503406 /nfs/dbraw/zinc/50/34/06/1169503406.db2.gz RNDGBAGUOHAKAL-KBPBESRZSA-N 2 0 296.459 1.643 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC/C=C/C[NH2+]C/C=C/Cl)C1 ZINC001568919648 1169547980 /nfs/dbraw/zinc/54/79/80/1169547980.db2.gz FWHGHUXVHFGNRU-VGDOWDANSA-N 2 0 285.819 1.343 10 0 CDAERP C[C@H](C[NH2+]CCC1CC1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001568998076 1169586962 /nfs/dbraw/zinc/58/69/62/1169586962.db2.gz TZWHKIATLFFTEP-UKRRQHHQSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCCF)[NH+](C)C ZINC001569125109 1169670782 /nfs/dbraw/zinc/67/07/82/1169670782.db2.gz QXWZRXWRNADHRJ-NWDGAFQWSA-N 2 0 261.385 1.123 10 0 CDAERP CCC[NH2+]C1(C)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001570384878 1170148132 /nfs/dbraw/zinc/14/81/32/1170148132.db2.gz UYHUKOGBZVUVPO-CYBMUJFWSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)=CC[N@@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001570733640 1170260331 /nfs/dbraw/zinc/26/03/31/1170260331.db2.gz DMHVXGRZPQJRKK-CYBMUJFWSA-N 2 0 255.406 1.341 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@@H]1C ZINC001571456278 1170436848 /nfs/dbraw/zinc/43/68/48/1170436848.db2.gz BOHCNEUHFRTXLF-HIFRSBDPSA-N 2 0 281.444 1.850 10 0 CDAERP CCC[NH2+]CC[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001668214904 1173382187 /nfs/dbraw/zinc/38/21/87/1173382187.db2.gz ROSBPCIBLOSCSF-CYBMUJFWSA-N 2 0 271.449 1.859 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]CC1CCC1)[NH+](C)C ZINC001668278472 1173391109 /nfs/dbraw/zinc/39/11/09/1173391109.db2.gz GTVDHVYEOHPZIR-JSGCOSHPSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)C[NH2+]C/C=C\CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001669149517 1173510525 /nfs/dbraw/zinc/51/05/25/1173510525.db2.gz BHQHEYRUWZVITN-DANTVBBOSA-N 2 0 269.433 1.491 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)CCC[NH2+]Cc1ccon1)[NH+](C)C ZINC001670319591 1173672172 /nfs/dbraw/zinc/67/21/72/1173672172.db2.gz VVEOMHSEDPOUMB-AWEZNQCLSA-N 2 0 296.415 1.199 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)CCC1CC1 ZINC001675044339 1174068931 /nfs/dbraw/zinc/06/89/31/1174068931.db2.gz WPOURPJCCUMRTF-JSGCOSHPSA-N 2 0 267.417 1.175 10 0 CDAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000094462996 1174476156 /nfs/dbraw/zinc/47/61/56/1174476156.db2.gz WGQORCPBHCWTDZ-SWLSCSKDSA-N 2 0 288.395 1.846 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001690246303 1175410706 /nfs/dbraw/zinc/41/07/06/1175410706.db2.gz DVYUMMXXJYAFJN-RDBSUJKOSA-N 2 0 269.433 1.563 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001690352146 1175446727 /nfs/dbraw/zinc/44/67/27/1175446727.db2.gz SFFMVUQXQVRMHF-OKILXGFUSA-N 2 0 281.444 1.898 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001690463886 1175477067 /nfs/dbraw/zinc/47/70/67/1175477067.db2.gz CSEQSCHOZVNNLH-GJZGRUSLSA-N 2 0 281.444 1.851 10 0 CDAERP CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]CCCF)[NH+](C)C ZINC001690471487 1175478740 /nfs/dbraw/zinc/47/87/40/1175478740.db2.gz IOSARSOCHNXZLA-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP CCC[NH2+][C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001690586578 1175514342 /nfs/dbraw/zinc/51/43/42/1175514342.db2.gz GBAKNLRVZDVCNY-OLZOCXBDSA-N 2 0 255.406 1.365 10 0 CDAERP CCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001690857739 1175589475 /nfs/dbraw/zinc/58/94/75/1175589475.db2.gz MGBJSWNTWURHRE-OLZOCXBDSA-N 2 0 255.406 1.365 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001698823282 1175949292 /nfs/dbraw/zinc/94/92/92/1175949292.db2.gz HREFXPVHWSENDX-RBSFLKMASA-N 2 0 281.444 1.729 10 0 CDAERP CC(C)[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001698949488 1175992704 /nfs/dbraw/zinc/99/27/04/1175992704.db2.gz HNKNUYWQIYABSS-UONOGXRCSA-N 2 0 269.433 1.563 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001699652165 1176550517 /nfs/dbraw/zinc/55/05/17/1176550517.db2.gz XKNAGMHUXVFNIS-UONOGXRCSA-N 2 0 281.444 1.755 10 0 CDAERP CCC[NH2+]C[C@]1(C)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001699854988 1176656628 /nfs/dbraw/zinc/65/66/28/1176656628.db2.gz XYMUPWUDNGYWIA-HOCLYGCPSA-N 2 0 281.444 1.566 10 0 CDAERP CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001700062177 1176736121 /nfs/dbraw/zinc/73/61/21/1176736121.db2.gz JUJPBLKDYKCABB-HUUCEWRRSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[NH2+]CC[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001700086923 1176742594 /nfs/dbraw/zinc/74/25/94/1176742594.db2.gz FIKWPRYKKWOGCD-CQSZACIVSA-N 2 0 267.417 1.319 10 0 CDAERP CC[N@H+](C)CCCN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001700191200 1176793885 /nfs/dbraw/zinc/79/38/85/1176793885.db2.gz VOPXNJAXSGFRSX-CQSZACIVSA-N 2 0 269.433 1.661 10 0 CDAERP CC/C=C\CC[NH2+][C@H](C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001700429622 1176925226 /nfs/dbraw/zinc/92/52/26/1176925226.db2.gz ZFWWORXNXFDCNW-JBZXTQMFSA-N 2 0 293.455 1.921 10 0 CDAERP CCC[NH2+]CCC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001700681633 1177072534 /nfs/dbraw/zinc/07/25/34/1177072534.db2.gz NQEQEKQGXSABFR-KBPBESRZSA-N 2 0 269.433 1.613 10 0 CDAERP CC[NH2+][C@H](C)CN(C)C(=O)[C@@H](CC)[NH+](CC)CC ZINC001700769679 1177123154 /nfs/dbraw/zinc/12/31/54/1177123154.db2.gz DHLYZFNBUAAPCB-CHWSQXEVSA-N 2 0 257.422 1.563 10 0 CDAERP CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001707143066 1177957662 /nfs/dbraw/zinc/95/76/62/1177957662.db2.gz PSIYDPBFRSCMHP-CABCVRRESA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@H+](C)CCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001707417517 1178032548 /nfs/dbraw/zinc/03/25/48/1178032548.db2.gz HZKOAZSSAWOUCT-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H]([NH2+]CCCF)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001707445336 1178048479 /nfs/dbraw/zinc/04/84/79/1178048479.db2.gz UBLDDQHGKHPYQP-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP C[NH+]1CCC(C[NH2+]C[C@@H](O)CC2CCCC2)CC1 ZINC000232130506 1178185863 /nfs/dbraw/zinc/18/58/63/1178185863.db2.gz ZSOYPFNHDQBCQZ-HNNXBMFYSA-N 2 0 254.418 1.859 10 0 CDAERP C[NH+]1CCC(CC(=O)N2CCC[C@H](C[NH2+]CCF)C2)CC1 ZINC001713241018 1178448565 /nfs/dbraw/zinc/44/85/65/1178448565.db2.gz VJPATTMANRFYDY-OAHLLOKOSA-N 2 0 299.434 1.516 10 0 CDAERP CCCCC[NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001713634593 1178689675 /nfs/dbraw/zinc/68/96/75/1178689675.db2.gz YJZINERAHWBKMS-CQSZACIVSA-N 2 0 269.433 1.566 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001714154391 1178989271 /nfs/dbraw/zinc/98/92/71/1178989271.db2.gz UTQGUWWYZFXPCN-KBPBESRZSA-N 2 0 269.433 1.563 10 0 CDAERP COCC[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001714308635 1179079794 /nfs/dbraw/zinc/07/97/94/1179079794.db2.gz GQISZFYPEKYXNH-LSDHHAIUSA-N 2 0 299.459 1.238 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CC[C@H](C)F)C1 ZINC001714374909 1179110502 /nfs/dbraw/zinc/11/05/02/1179110502.db2.gz PZCWIDKUOYGMSQ-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP CCC[NH2+]C[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001715249981 1179596895 /nfs/dbraw/zinc/59/68/95/1179596895.db2.gz GVPMRHWBHKAJJZ-LBPRGKRZSA-N 2 0 255.406 1.080 10 0 CDAERP CCN(CC[NH2+]CC1CC1)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001715763040 1179794844 /nfs/dbraw/zinc/79/48/44/1179794844.db2.gz JLWQIZFDNMXURQ-HOTGVXAUSA-N 2 0 293.455 1.851 10 0 CDAERP CC1CC[NH+](CC(=O)NC/C=C/C[NH2+]CC2CC2)CC1 ZINC001715884306 1179897468 /nfs/dbraw/zinc/89/74/68/1179897468.db2.gz GPUCJKSYUAPBFZ-NSCUHMNNSA-N 2 0 279.428 1.390 10 0 CDAERP C[C@@H](C[NH2+]CC1CC1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001715981757 1179961762 /nfs/dbraw/zinc/96/17/62/1179961762.db2.gz VCOMWXBIAZYTMY-JSGCOSHPSA-N 2 0 267.417 1.365 10 0 CDAERP CCN(CC[NH2+]CCOC)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001716243353 1180116956 /nfs/dbraw/zinc/11/69/56/1180116956.db2.gz BAKKWCHCZPQVEW-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC1CCC1 ZINC001716294253 1180146369 /nfs/dbraw/zinc/14/63/69/1180146369.db2.gz SIXCFELFCWHROO-QGZUEGPWSA-N 2 0 293.455 1.921 10 0 CDAERP CC(C)[NH2+]C/C=C\CNC(=O)C[N@H+](C)C1CCC1 ZINC001716307346 1180149870 /nfs/dbraw/zinc/14/98/70/1180149870.db2.gz XPUPGJHESIKZOV-PLNGDYQASA-N 2 0 253.390 1.141 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC/C=C/C[NH2+]CC2CCC2)C1 ZINC001716343854 1180163396 /nfs/dbraw/zinc/16/33/96/1180163396.db2.gz LIHUPBOGYOTPOS-BAABZTOOSA-N 2 0 279.428 1.390 10 0 CDAERP CC(C)[C@H](C(=O)N1CCC[C@H]1C[NH2+]CCF)[NH+](C)C ZINC001716784380 1180413584 /nfs/dbraw/zinc/41/35/84/1180413584.db2.gz UAIXPLKZYNBCJY-QWHCGFSZSA-N 2 0 273.396 1.123 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCCCF)CCC1 ZINC001717147933 1180548038 /nfs/dbraw/zinc/54/80/38/1180548038.db2.gz ACPWFVNRWLAULL-AWEZNQCLSA-N 2 0 299.434 1.849 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCOC(C)C)[C@H]1C ZINC001717801594 1180863640 /nfs/dbraw/zinc/86/36/40/1180863640.db2.gz GTNJKKFBLVKZDS-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2cncn2C)C1 ZINC001717827668 1180881848 /nfs/dbraw/zinc/88/18/48/1180881848.db2.gz ZHSKWNFYOSWMRY-STQMWFEESA-N 2 0 278.400 1.342 10 0 CDAERP CCCC[NH2+]C1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001717999009 1180964444 /nfs/dbraw/zinc/96/44/44/1180964444.db2.gz SZGPABZIAFCRLI-UHFFFAOYSA-N 2 0 279.428 1.461 10 0 CDAERP C[C@@H](C[N@H+](C)CCC1CC1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001722913828 1181491281 /nfs/dbraw/zinc/49/12/81/1181491281.db2.gz GYJMHIHSUJNGJY-GXTWGEPZSA-N 2 0 267.417 1.175 10 0 CDAERP CC[C@H](F)C[NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001723194498 1181524538 /nfs/dbraw/zinc/52/45/38/1181524538.db2.gz NIEMRCSLUNLDCT-STQMWFEESA-N 2 0 273.396 1.124 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@H]2C[NH2+]CCCF)C1 ZINC001723967077 1181626629 /nfs/dbraw/zinc/62/66/29/1181626629.db2.gz LNWZRRYEXLICTP-KBPBESRZSA-N 2 0 285.407 1.268 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1CCCC[C@H]1[NH3+])C1CC1 ZINC000300407230 1182223178 /nfs/dbraw/zinc/22/31/78/1182223178.db2.gz INGHTBLGURAFCJ-QWHCGFSZSA-N 2 0 253.390 1.104 10 0 CDAERP COCCC[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001731962629 1182701913 /nfs/dbraw/zinc/70/19/13/1182701913.db2.gz YQLPGRZQRZQAJH-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP COCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001732734506 1183102850 /nfs/dbraw/zinc/10/28/50/1183102850.db2.gz RLZDTEYHXBUNNN-HUUCEWRRSA-N 2 0 299.459 1.380 10 0 CDAERP CCN(CC[NH2+]CC1CCC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001732807211 1183132267 /nfs/dbraw/zinc/13/22/67/1183132267.db2.gz LNGJOLLRXDLESK-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001733341477 1183402807 /nfs/dbraw/zinc/40/28/07/1183402807.db2.gz CUQDJYVZBFYDIG-OWCLPIDISA-N 2 0 293.455 1.873 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@H](C)[NH2+]CC1CCC1 ZINC001734003545 1183611009 /nfs/dbraw/zinc/61/10/09/1183611009.db2.gz SVMIAMAITDHQCQ-QWHCGFSZSA-N 2 0 269.433 1.611 10 0 CDAERP COCCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001734033352 1183624963 /nfs/dbraw/zinc/62/49/63/1183624963.db2.gz BZNJCYHVDGTUPQ-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@H](C[NH2+]CCF)C1 ZINC001734219641 1183695283 /nfs/dbraw/zinc/69/52/83/1183695283.db2.gz HALRTRZPRYUBPQ-HDJSIYSDSA-N 2 0 285.407 1.316 10 0 CDAERP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CC(C)(C)O)CC1 ZINC000303989547 1186583628 /nfs/dbraw/zinc/58/36/28/1186583628.db2.gz KSBBYKBRBWLHDI-GJZGRUSLSA-N 2 0 283.460 1.248 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000377764702 1186685567 /nfs/dbraw/zinc/68/55/67/1186685567.db2.gz IIVLRFXUKOMTTN-JYJNAYRXSA-N 2 0 293.455 1.804 10 0 CDAERP CCN(C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C)[C@H]1CC[N@H+](C)C1 ZINC001771786348 1186871609 /nfs/dbraw/zinc/87/16/09/1186871609.db2.gz XMDGVWDJRUAWAK-RRFJBIMHSA-N 2 0 296.459 1.595 10 0 CDAERP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000227401061 828338505 /nfs/dbraw/zinc/33/85/05/828338505.db2.gz ZNFMZMKXANDOTJ-GBJTYRQASA-N 2 0 279.428 1.589 10 0 CDAERP C[C@H](C1CC1)[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923305220 828460385 /nfs/dbraw/zinc/46/03/85/828460385.db2.gz LDWCSUKRZXDEIL-BXUZGUMPSA-N 2 0 250.386 1.628 10 0 CDAERP C[C@H]([NH2+]CCC[NH3+])c1ccc(N2CCCC2=O)cc1 ZINC000841097674 828469233 /nfs/dbraw/zinc/46/92/33/828469233.db2.gz NJVRUJIQIGZJIA-LBPRGKRZSA-N 2 0 261.369 1.813 10 0 CDAERP C[N@H+](CCCCCC[NH3+])[C@H]1CCN(C2CCC2)C1=O ZINC000872158901 822722124 /nfs/dbraw/zinc/72/21/24/822722124.db2.gz YZBFYXMIOSHVTC-AWEZNQCLSA-N 2 0 267.417 1.591 10 0 CDAERP CC(C)COC[C@H](O)C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925614328 822729767 /nfs/dbraw/zinc/72/97/67/822729767.db2.gz WMBJZGHTQVFOGE-APIJFGDWSA-N 2 0 284.444 1.386 10 0 CDAERP CCCCOC(=O)CN1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000846227477 822750429 /nfs/dbraw/zinc/75/04/29/822750429.db2.gz SGULBSMMKCBCPP-RRFJBIMHSA-N 2 0 298.427 1.691 10 0 CDAERP Cc1cn(C)nc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000929282235 822760312 /nfs/dbraw/zinc/76/03/12/822760312.db2.gz JOELKFUHTVUADF-UHFFFAOYSA-N 2 0 250.390 1.502 10 0 CDAERP C[NH+](C)C1(C)CC[NH+](CC[C@H]2COC(C)(C)O2)CC1 ZINC000931352280 828534558 /nfs/dbraw/zinc/53/45/58/828534558.db2.gz HQJNILYAUJPPRA-ZDUSSCGKSA-N 2 0 270.417 1.944 10 0 CDAERP CC[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)[C@@H]1C[C@@H]1C ZINC000925848277 823790209 /nfs/dbraw/zinc/79/02/09/823790209.db2.gz DQIDPJKFKZIBFL-FQUUOJAGSA-N 2 0 280.412 1.696 10 0 CDAERP C[NH+](C)[C@@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)C1(C)C ZINC000864063401 823813180 /nfs/dbraw/zinc/81/31/80/823813180.db2.gz JVYUMXNRMZMNPA-RWMBFGLXSA-N 2 0 281.444 1.704 10 0 CDAERP CCOC(=O)CC(C)(C)C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000848923807 823816117 /nfs/dbraw/zinc/81/61/17/823816117.db2.gz QKFFUGCNBQJCNK-BETUJISGSA-N 2 0 270.417 1.896 10 0 CDAERP Cc1cc(CN2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)c(C)nn1 ZINC000933734204 823854891 /nfs/dbraw/zinc/85/48/91/823854891.db2.gz NXAUDPITCYGHFA-CABCVRRESA-N 2 0 260.385 1.477 10 0 CDAERP C[C@@H]1C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C[C@H](C)S1 ZINC000923308654 823860479 /nfs/dbraw/zinc/86/04/79/823860479.db2.gz HKBOZVJIOJMCJP-TUAOUCFPSA-N 2 0 256.415 1.191 10 0 CDAERP C[C@@]1(CN[C@@H]2CC[NH2+]C2)CC[N@H+](Cc2ccccc2)C1 ZINC000309741351 828578078 /nfs/dbraw/zinc/57/80/78/828578078.db2.gz RWOLQOLLPJHUSD-SJORKVTESA-N 2 0 273.424 1.850 10 0 CDAERP CC(C)CNC(=O)C[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714455921 823896630 /nfs/dbraw/zinc/89/66/30/823896630.db2.gz MHJSXYNEMDXEFD-UHFFFAOYSA-N 2 0 269.433 1.456 10 0 CDAERP CN(C)C(=O)C1(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)CCCC1 ZINC000925487695 828591495 /nfs/dbraw/zinc/59/14/95/828591495.db2.gz NWQMTEVMCNMWIX-STQMWFEESA-N 2 0 279.428 1.495 10 0 CDAERP CCNC(=[NH2+])NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000849011156 823988555 /nfs/dbraw/zinc/98/85/55/823988555.db2.gz YVMKXDRVRDFVOR-UHFFFAOYSA-N 2 0 281.448 1.071 10 0 CDAERP O[C@H](C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C1CC1 ZINC000819175532 824017391 /nfs/dbraw/zinc/01/73/91/824017391.db2.gz ZPBPKMJLLXRPFX-ARFHVFGLSA-N 2 0 282.428 1.115 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+]C(c1ccnn1C)c1ccnn1C ZINC000863546938 824074988 /nfs/dbraw/zinc/07/49/88/824074988.db2.gz HZKCHIJOBHDVCQ-GFCCVEGCSA-N 2 0 290.415 1.350 10 0 CDAERP C[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)C1CCCC1 ZINC000925852951 824177609 /nfs/dbraw/zinc/17/76/09/824177609.db2.gz IXAYNJYWTKGFNG-TZMCWYRMSA-N 2 0 280.412 1.840 10 0 CDAERP O[C@H](C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)C1CC1 ZINC000838853814 824193103 /nfs/dbraw/zinc/19/31/03/824193103.db2.gz JAXIUJQILABSQK-UKRRQHHQSA-N 2 0 252.402 1.565 10 0 CDAERP C[C@@H]1CN(C(=[NH2+])NCCCCC[NH+]2CCCCC2)CCO1 ZINC000849007632 824227460 /nfs/dbraw/zinc/22/74/60/824227460.db2.gz HRDAERYTUQLIHP-OAHLLOKOSA-N 2 0 296.459 1.888 10 0 CDAERP C[C@H]1COC[C@H](C)C1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000926541108 824228177 /nfs/dbraw/zinc/22/81/77/824228177.db2.gz KSXSGWXTSLMKOT-WSOGJNRSSA-N 2 0 252.402 1.872 10 0 CDAERP C[C@H]1CN(CCCS(=O)(=O)C(C)(C)C)C[C@@H]1C[NH3+] ZINC000718726216 824263592 /nfs/dbraw/zinc/26/35/92/824263592.db2.gz BUARLICRBCXBKJ-RYUDHWBXSA-N 2 0 276.446 1.116 10 0 CDAERP CS[C@H](CO)[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925610392 824272216 /nfs/dbraw/zinc/27/22/16/824272216.db2.gz DKNXYZBTUGDCLP-NNYUYHANSA-N 2 0 260.447 1.594 10 0 CDAERP C[NH+](C)CC1(O)CC[NH+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)CC1 ZINC000720590137 824335110 /nfs/dbraw/zinc/33/51/10/824335110.db2.gz APZFFLRLYOEQQA-SOUVJXGZSA-N 2 0 282.428 1.333 10 0 CDAERP C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923500448 824339434 /nfs/dbraw/zinc/33/94/34/824339434.db2.gz QQRPHPSNFCYHEC-OEMZWJQQSA-N 2 0 295.471 1.987 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCN(C(=O)CCC23CC(C2)C[NH2+]3)C1 ZINC000870894830 824346054 /nfs/dbraw/zinc/34/60/54/824346054.db2.gz JVABAJVMGGFDDA-HPUBIQBYSA-N 2 0 293.455 1.709 10 0 CDAERP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CCC12CC(C1)C[NH2+]2 ZINC000870893083 824346421 /nfs/dbraw/zinc/34/64/21/824346421.db2.gz PEVQFXZXZWKAQY-ILTLLKDXSA-N 2 0 279.428 1.317 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925791933 824358516 /nfs/dbraw/zinc/35/85/16/824358516.db2.gz DFGWXJNUZOJXRZ-MCIONIFRSA-N 3 0 251.418 1.496 10 0 CDAERP COC(=O)[C@]12C[C@H]1CCC[N@@H+]2CC[C@H]1CC[NH2+]C1 ZINC000923552077 824366819 /nfs/dbraw/zinc/36/68/19/824366819.db2.gz SQVZRBYGEOMBJA-BZPMIXESSA-N 2 0 252.358 1.014 10 0 CDAERP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1cccc2c1OCCO2 ZINC000925874446 824420034 /nfs/dbraw/zinc/42/00/34/824420034.db2.gz JWJPTWVJTZAOCD-UKRRQHHQSA-N 2 0 290.407 1.978 10 0 CDAERP CC1(C)[C@H]([NH2+]CCOCC(F)F)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925650449 824431003 /nfs/dbraw/zinc/43/10/03/824431003.db2.gz VQVIEZPRRSUODZ-ADEWGFFLSA-N 2 0 262.344 1.634 10 0 CDAERP C[NH+]1CCC(C[NH2+]C[C@@H]2C[C@H]3CCC[C@H]3O2)CC1 ZINC000720879360 824441592 /nfs/dbraw/zinc/44/15/92/824441592.db2.gz JHIYLAZSDSIUFQ-QLFBSQMISA-N 2 0 252.402 1.875 10 0 CDAERP c1ccc2c(c1)CC[C@@]21CC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923420358 824452968 /nfs/dbraw/zinc/45/29/68/824452968.db2.gz JYMIWRXTNIQNHK-APWZRJJASA-N 2 0 298.430 1.955 10 0 CDAERP Cc1cccc(NCC[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)n1 ZINC000925578224 824485023 /nfs/dbraw/zinc/48/50/23/824485023.db2.gz ATJKEBNOSZWZMA-STQMWFEESA-N 2 0 260.385 1.661 10 0 CDAERP C[C@H](C1CC1)N(C(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1)C1CC1 ZINC000923499944 828656361 /nfs/dbraw/zinc/65/63/61/828656361.db2.gz OSPQSQWVNAOIRX-UMVBOHGHSA-N 2 0 293.455 1.693 10 0 CDAERP CCOC(=O)[C@@H]1C[C@H]1C[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000929998423 824509138 /nfs/dbraw/zinc/50/91/38/824509138.db2.gz CSCLFUKHGARQGV-XQLPTFJDSA-N 2 0 282.428 1.848 10 0 CDAERP O[C@H](C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000923365148 824522485 /nfs/dbraw/zinc/52/24/85/824522485.db2.gz CAACNQPPWZLFCF-HZPDHXFCSA-N 2 0 260.381 1.796 10 0 CDAERP c1[nH+]cn2ccc(-c3noc(C[C@H]4CC[NH2+]C4)n3)cc12 ZINC000823168221 824568505 /nfs/dbraw/zinc/56/85/05/824568505.db2.gz SBZGFJZBAJOWQB-SNVBAGLBSA-N 2 0 269.308 1.536 10 0 CDAERP C[N@H+](CCCCCC[NH3+])CCc1ccc(C(N)=O)cc1 ZINC000872158820 824634332 /nfs/dbraw/zinc/63/43/32/824634332.db2.gz XWASPFYTMJUPLK-UHFFFAOYSA-N 2 0 277.412 1.779 10 0 CDAERP CCOC(=O)N1CCC([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000925844862 828677344 /nfs/dbraw/zinc/67/73/44/828677344.db2.gz JGKLRBFYSRCTOY-GDBMZVCRSA-N 2 0 295.427 1.729 10 0 CDAERP CC1(C)[C@H]([NH2+]CC2CC[NH2+]CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925693281 824700139 /nfs/dbraw/zinc/70/01/39/824700139.db2.gz QZPAYVBNTVZKJN-HZSPNIEDSA-N 3 0 251.418 1.352 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CCC3=C(CCC(=O)N3)C2)CC[NH2+]1 ZINC000849350852 824813608 /nfs/dbraw/zinc/81/36/08/824813608.db2.gz YSZVWXUPVMDHTD-VXGBXAGGSA-N 2 0 263.385 1.244 10 0 CDAERP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@H](Cc2nc(C)cs2)C1 ZINC000923552730 824847593 /nfs/dbraw/zinc/84/75/93/824847593.db2.gz YNVNWBPVFJPKRH-TZMCWYRMSA-N 2 0 283.441 1.286 10 0 CDAERP CCc1noc([C@@H]2CC[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])C2)n1 ZINC000925872443 824849324 /nfs/dbraw/zinc/84/93/24/824849324.db2.gz FZHFSIMVGYBAOQ-QCNOEVLYSA-N 2 0 266.389 1.984 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc(F)cc2)C12CCC2 ZINC000925536289 824851631 /nfs/dbraw/zinc/85/16/31/824851631.db2.gz CHZSNQOTYCBTMT-MGPQQGTHSA-N 2 0 264.344 1.719 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C[C@@]1(C)CCC[NH2+]C1 ZINC000220959609 824855287 /nfs/dbraw/zinc/85/52/87/824855287.db2.gz MVPGLHKCJMSQRQ-CABCVRRESA-N 2 0 253.434 1.792 10 0 CDAERP C[C@@H](O)c1ncc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)s1 ZINC000843128271 824865374 /nfs/dbraw/zinc/86/53/74/824865374.db2.gz VHRFGHFUMDWPKS-UTUOFQBUSA-N 2 0 281.425 1.628 10 0 CDAERP CN1CCC([NH2+]C[C@@H]2CC[C@@H](C(F)(F)F)O2)CC1 ZINC000721492372 824880100 /nfs/dbraw/zinc/88/01/00/824880100.db2.gz KTGMKFYZOSXREB-QWRGUYRKSA-N 2 0 266.307 1.780 10 0 CDAERP CC1(C)[C@H]([NH2+]C[C@H]2CC[C@@H](O)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925648439 824970182 /nfs/dbraw/zinc/97/01/82/824970182.db2.gz BMMXVQRSNMESIP-MQLXINIDSA-N 2 0 252.402 1.514 10 0 CDAERP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCc2ccc(C(N)=O)cc2)C1 ZINC000866659067 824979395 /nfs/dbraw/zinc/97/93/95/824979395.db2.gz HCXZWHVPLQOFCR-DOMZBBRYSA-N 2 0 275.396 1.387 10 0 CDAERP CC(C)[C@H](CNC(=[NH2+])NCCC1CC1)N1CC[NH+](C)CC1 ZINC000864450573 824997769 /nfs/dbraw/zinc/99/77/69/824997769.db2.gz QTTLJXHEBLFDIL-HNNXBMFYSA-N 2 0 295.475 1.172 10 0 CDAERP Cc1nccn1CCC[N@@H+](C)C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844310061 825017927 /nfs/dbraw/zinc/01/79/27/825017927.db2.gz IRIRGGDFAUHKGI-AWEZNQCLSA-N 2 0 292.383 1.497 10 0 CDAERP Cn1c(C[NH2+]CC2CC[NH+](C)CC2)cnc1Cl ZINC000848533321 825029607 /nfs/dbraw/zinc/02/96/07/825029607.db2.gz JBKBFVWIRTUSGN-UHFFFAOYSA-N 2 0 256.781 1.505 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)C1 ZINC000925594212 825077049 /nfs/dbraw/zinc/07/70/49/825077049.db2.gz PRVCFXNUIOPQAH-RKDXNWHRSA-N 2 0 281.322 1.161 10 0 CDAERP CC1(C)CCC[C@H](C[NH+]2CCC(O)(C[NH3+])CC2)O1 ZINC000714332664 825078457 /nfs/dbraw/zinc/07/84/57/825078457.db2.gz XJVCIHROCSIZPR-GFCCVEGCSA-N 2 0 256.390 1.120 10 0 CDAERP CCO[C@H](C[NH2+][C@H]1CCO[C@@H](CC)C1)CN(C)C ZINC000922754656 825107887 /nfs/dbraw/zinc/10/78/87/825107887.db2.gz QYIVHICWQALGDB-MELADBBJSA-N 2 0 258.406 1.500 10 0 CDAERP CCC[NH+]1CCC([N@H+](C)CCO[C@@H]2CCOC2)CC1 ZINC000929777672 825110191 /nfs/dbraw/zinc/11/01/91/825110191.db2.gz MKWOEKMPFPPJOD-OAHLLOKOSA-N 2 0 270.417 1.598 10 0 CDAERP COC(=O)C1=CC[C@@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000858477968 825185206 /nfs/dbraw/zinc/18/52/06/825185206.db2.gz YFBGQNQEZJMZFN-SMDDNHRTSA-N 2 0 266.385 1.568 10 0 CDAERP CC(C)[NH+]1CCC([NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)CC1 ZINC000724622142 825199132 /nfs/dbraw/zinc/19/91/32/825199132.db2.gz HTRXYOOHUALBPW-SNPRPXQTSA-N 2 0 268.401 1.253 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)C1 ZINC000870852741 825205623 /nfs/dbraw/zinc/20/56/23/825205623.db2.gz MJXZRJDKJQPIAI-LXTVHRRPSA-N 2 0 279.428 1.495 10 0 CDAERP CC1(C)C[NH2+]C[C@@H]1C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000711381321 825225005 /nfs/dbraw/zinc/22/50/05/825225005.db2.gz JPGASOKTFSKHJX-ZIAGYGMSSA-N 2 0 279.428 1.319 10 0 CDAERP CC1(C)[C@H]([NH2+]CCN2CCC([NH3+])CC2)[C@@H]2CCCO[C@H]21 ZINC000925812383 825236353 /nfs/dbraw/zinc/23/63/53/825236353.db2.gz PIQNSUSPCKJLCB-RRFJBIMHSA-N 2 0 281.444 1.203 10 0 CDAERP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@H](O)c2ccc(F)cn2)C1 ZINC000819366356 825259921 /nfs/dbraw/zinc/25/99/21/825259921.db2.gz OOAHVFPHRRZDJX-DOMZBBRYSA-N 2 0 281.375 1.576 10 0 CDAERP CC(C)COC[C@@H](O)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000923389485 825275910 /nfs/dbraw/zinc/27/59/10/825275910.db2.gz RHPHEDTXTQTGLQ-IRXDYDNUSA-N 2 0 298.471 1.732 10 0 CDAERP [NH3+]CCCCCCC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000863576585 825294610 /nfs/dbraw/zinc/29/46/10/825294610.db2.gz WEGIMWZEPOKOGA-QGZVFWFLSA-N 3 0 297.487 1.986 10 0 CDAERP CC(C)[N@H+](C)CCN[C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261859019 825295032 /nfs/dbraw/zinc/29/50/32/825295032.db2.gz BXQYREPFPBASJZ-KFWWJZLASA-N 2 0 269.433 1.073 10 0 CDAERP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)CC[NH2+]1 ZINC000723655169 825347077 /nfs/dbraw/zinc/34/70/77/825347077.db2.gz KLFDGEIRYKPSOD-KJWHEZOQSA-N 2 0 252.402 1.922 10 0 CDAERP C[C@H](C1CC1)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000866590294 825366388 /nfs/dbraw/zinc/36/63/88/825366388.db2.gz PSWMWMDZENRZLP-CYBMUJFWSA-N 2 0 251.418 1.497 10 0 CDAERP COC[C@H](O)CC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925626828 825395247 /nfs/dbraw/zinc/39/52/47/825395247.db2.gz RTJAJODNMYBEMC-KFWWJZLASA-N 2 0 270.417 1.142 10 0 CDAERP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC[NH2+]C1CCCCCC1 ZINC000236971487 825411733 /nfs/dbraw/zinc/41/17/33/825411733.db2.gz OPCFNYMRDCWPGV-TZMCWYRMSA-N 2 0 269.433 1.788 10 0 CDAERP CS(=O)(=O)C1(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)CCCC1 ZINC000925673208 825419434 /nfs/dbraw/zinc/41/94/34/825419434.db2.gz ZSVOLZAPSUTQIT-NEPJUHHUSA-N 2 0 286.441 1.203 10 0 CDAERP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)CC[C@@H]21 ZINC000713280365 825469270 /nfs/dbraw/zinc/46/92/70/825469270.db2.gz ZTYCTOBLCBTCJW-RGHULWKBSA-N 2 0 277.412 1.057 10 0 CDAERP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000715543951 825533152 /nfs/dbraw/zinc/53/31/52/825533152.db2.gz PDVPAGIMARDKEU-ROKHWSDSSA-N 2 0 288.457 1.416 10 0 CDAERP CCc1ncc(CNC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)o1 ZINC000849038454 828795371 /nfs/dbraw/zinc/79/53/71/828795371.db2.gz OWJNTOAGXGWLRP-LLVKDONJSA-N 2 0 279.388 1.335 10 0 CDAERP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000424028209 825583331 /nfs/dbraw/zinc/58/33/31/825583331.db2.gz NOMPEZPHTJPLJK-FMKPAKJESA-N 2 0 279.428 1.639 10 0 CDAERP C[NH+](C)C1(C)CC[NH+](C[C@H]2CCC[C@@H](O)C2)CC1 ZINC000709790820 828802012 /nfs/dbraw/zinc/80/20/12/828802012.db2.gz QNHPQWFJANOCBN-UONOGXRCSA-N 2 0 254.418 1.954 10 0 CDAERP CC[N@H+](CCNC(=O)N1CC[C@@H]2[C@@H](CC[NH+]2C)C1)C1CC1 ZINC000868218629 825603259 /nfs/dbraw/zinc/60/32/59/825603259.db2.gz IBANPENRSVMIOD-DZGCQCFKSA-N 2 0 294.443 1.206 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]CCOC2CCOCC2)C12CCC2 ZINC000925878585 828804423 /nfs/dbraw/zinc/80/44/23/828804423.db2.gz XIUYZKVXEZOTGM-OLZOCXBDSA-N 2 0 254.374 1.042 10 0 CDAERP C[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923503160 825624035 /nfs/dbraw/zinc/62/40/35/825624035.db2.gz HEOMWMNTRBDYFD-MGPQQGTHSA-N 2 0 267.417 1.304 10 0 CDAERP COC(=O)c1cc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])n(C)c1C ZINC000925769297 825747333 /nfs/dbraw/zinc/74/73/33/825747333.db2.gz OHMMDVWCPJXDIR-DOMZBBRYSA-N 2 0 293.411 1.727 10 0 CDAERP C[C@H](Cn1cncn1)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000866516974 825799323 /nfs/dbraw/zinc/79/93/23/825799323.db2.gz FNDOSNKNQJMBFZ-IYXRBSQSSA-N 2 0 265.405 1.519 10 0 CDAERP C[C@@H](CSC(C)(C)C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925809056 825801747 /nfs/dbraw/zinc/80/17/47/825801747.db2.gz HLVZPSFQAJLTQS-LBPRGKRZSA-N 2 0 273.490 1.919 10 0 CDAERP C[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)[C@@H]1CCOC1 ZINC000925846749 825813467 /nfs/dbraw/zinc/81/34/67/825813467.db2.gz TUYHXTYYCAZQHR-HUUCEWRRSA-N 2 0 269.433 1.077 10 0 CDAERP COC(=O)C1=CC[C@H]([NH2+][C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000863540771 825826046 /nfs/dbraw/zinc/82/60/46/825826046.db2.gz DIYVQJXXKYMPQH-RWMBFGLXSA-N 2 0 252.358 1.498 10 0 CDAERP CN1C[C@H](CC[NH2+][C@H]2CCCCC[C@@H]2[NH3+])CC1=O ZINC000925807819 825868782 /nfs/dbraw/zinc/86/87/82/825868782.db2.gz DDYWMAOQLBEYCL-AGIUHOORSA-N 2 0 253.390 1.104 10 0 CDAERP C[C@@H](C[NH2+][C@@H]1CCCc2cn[nH]c21)CN1CC[NH+](C)CC1 ZINC000857853124 825876164 /nfs/dbraw/zinc/87/61/64/825876164.db2.gz LOOYUOKVVWXVGI-DZGCQCFKSA-N 2 0 291.443 1.260 10 0 CDAERP CC1(C)CC[C@H]1[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925852425 825892686 /nfs/dbraw/zinc/89/26/86/825892686.db2.gz UNCIHUVTZSOPTE-VXGBXAGGSA-N 2 0 266.385 1.450 10 0 CDAERP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CN3C[C@@H]2CCC3)c1 ZINC000924610124 825959439 /nfs/dbraw/zinc/95/94/39/825959439.db2.gz XTNSXVCYMGEWRB-DLBZAZTESA-N 2 0 273.424 1.932 10 0 CDAERP COC(CC[NH+]1CCC(C[NH+]2CCOCC2)CC1)OC ZINC000851727981 825960606 /nfs/dbraw/zinc/96/06/06/825960606.db2.gz CMTKKKSYPMBFMQ-UHFFFAOYSA-N 2 0 286.416 1.040 10 0 CDAERP CC[C@H]1C[C@H](C[N@H+](C)CCOCC[NH2+]C)CCO1 ZINC000863647573 825970960 /nfs/dbraw/zinc/97/09/60/825970960.db2.gz QJXQSDBURLMOLZ-KGLIPLIRSA-N 2 0 258.406 1.359 10 0 CDAERP C[C@H](CNC(=O)NCCc1cn(C)cn1)[NH+]1CCCCC1 ZINC000837767894 825977751 /nfs/dbraw/zinc/97/77/51/825977751.db2.gz PKYZEFHJBRVDCS-CYBMUJFWSA-N 2 0 293.415 1.136 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCCc2c1cnn2C ZINC000925801715 825980789 /nfs/dbraw/zinc/98/07/89/825980789.db2.gz WSUZEWGTGZOIEV-YRGRVCCFSA-N 2 0 262.401 1.633 10 0 CDAERP CCS[C@H]1CCCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923312288 826005419 /nfs/dbraw/zinc/00/54/19/826005419.db2.gz DEOMBECRKYYTRH-KBPBESRZSA-N 2 0 284.469 1.973 10 0 CDAERP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000924647339 826006423 /nfs/dbraw/zinc/00/64/23/826006423.db2.gz JINVHJZCNXMCFU-COMQUAJESA-N 2 0 252.402 1.731 10 0 CDAERP C[C@H]([NH2+]Cc1cnc2n1CCOC2)C1CC[NH+](C)CC1 ZINC000722838765 826034184 /nfs/dbraw/zinc/03/41/84/826034184.db2.gz YYYIIDCDLFLWOB-LBPRGKRZSA-N 2 0 278.400 1.233 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CC=C(C(=O)OC)C2)[C@@H](C)C1 ZINC000858474385 826034534 /nfs/dbraw/zinc/03/45/34/826034534.db2.gz AVOJDJJDDUIRTJ-UBHSHLNASA-N 2 0 266.385 1.568 10 0 CDAERP COc1ccc([C@H](N[C@@H]2C[NH2+]C[C@H]2C)[C@H]2CCC[NH2+]2)cc1 ZINC000925784405 826047071 /nfs/dbraw/zinc/04/70/71/826047071.db2.gz NGFLUFIVVFGELZ-YYQUZTFQSA-N 2 0 289.423 1.686 10 0 CDAERP C[C@@H]1C[C@@H]1NC(=[NH2+])NCCC[NH+]1CCCCCC1 ZINC000864452434 826047264 /nfs/dbraw/zinc/04/72/64/826047264.db2.gz QGELZWCQVHWUED-OLZOCXBDSA-N 2 0 252.406 1.775 10 0 CDAERP Cc1nsc(N2CCCN(CCC[NH2+]C3CC3)CC2)n1 ZINC000923328102 826117137 /nfs/dbraw/zinc/11/71/37/826117137.db2.gz WXQIECGMEJCPKM-UHFFFAOYSA-N 2 0 295.456 1.501 10 0 CDAERP Cc1noc(C)c1C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923453986 826122078 /nfs/dbraw/zinc/12/20/78/826122078.db2.gz DUTCDXBPRDXNFQ-ZDUSSCGKSA-N 2 0 279.384 1.621 10 0 CDAERP C[N@H+](C[C@H]1CC[C@H](C(F)(F)F)O1)C1CC[NH2+]CC1 ZINC000721446612 826122524 /nfs/dbraw/zinc/12/25/24/826122524.db2.gz RUMDGPQRHAYTDQ-GHMZBOCLSA-N 2 0 266.307 1.780 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000874468978 826197483 /nfs/dbraw/zinc/19/74/83/826197483.db2.gz XFJORIINIVPDKX-WZRBSPASSA-N 2 0 264.373 1.216 10 0 CDAERP C[C@@H]1C[C@H](N2CCc3sc(C[NH3+])nc3C2)CC[N@@H+]1C ZINC000710168652 826236889 /nfs/dbraw/zinc/23/68/89/826236889.db2.gz UKGYETHEGYFFEM-GHMZBOCLSA-N 2 0 280.441 1.443 10 0 CDAERP C([NH2+][C@H]1CCOC12CCCCC2)[C@@H]1CN2CCC[C@H]2CO1 ZINC000924966754 826245496 /nfs/dbraw/zinc/24/54/96/826245496.db2.gz UUTKWGRPOIFGPH-XHSDSOJGSA-N 2 0 294.439 1.931 10 0 CDAERP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3ccnc(F)c3)C2)CC1 ZINC000858134860 826256344 /nfs/dbraw/zinc/25/63/44/826256344.db2.gz IVPVNIOMYRTDEL-CQSZACIVSA-N 2 0 292.402 1.479 10 0 CDAERP O[C@@H](C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)C1CC1 ZINC000838853813 826294858 /nfs/dbraw/zinc/29/48/58/826294858.db2.gz JAXIUJQILABSQK-HIFRSBDPSA-N 2 0 252.402 1.565 10 0 CDAERP C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923502917 826307849 /nfs/dbraw/zinc/30/78/49/826307849.db2.gz DSUXUXFESCHOKO-LEOABGAYSA-N 2 0 295.471 1.796 10 0 CDAERP CC(C)N1CC[C@H]([N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)C1=O ZINC000866705833 826337015 /nfs/dbraw/zinc/33/70/15/826337015.db2.gz IKEPROCVSFKDHD-XJKSGUPXSA-N 2 0 281.444 1.693 10 0 CDAERP C[C@H](CNC(=[NH2+])NCCc1cccs1)[NH+]1CCCC1 ZINC000848986730 826340102 /nfs/dbraw/zinc/34/01/02/826340102.db2.gz YIGIBQLAPPDAEP-GFCCVEGCSA-N 2 0 280.441 1.889 10 0 CDAERP CC[N@H+](CCc1cccs1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923304009 826379861 /nfs/dbraw/zinc/37/98/61/826379861.db2.gz AZKPIYIEDCZSJF-ZDUSSCGKSA-N 2 0 280.437 1.991 10 0 CDAERP CN1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@H]1CCC[C@H](O)C1 ZINC000720366940 826453623 /nfs/dbraw/zinc/45/36/23/826453623.db2.gz MIFOUMCNUICSDN-ZQDZILKHSA-N 2 0 252.402 1.706 10 0 CDAERP CC(C)COC[C@H](O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000923326961 826464891 /nfs/dbraw/zinc/46/48/91/826464891.db2.gz ABKKWFHEBBJDIO-ARFHVFGLSA-N 2 0 284.444 1.484 10 0 CDAERP CCN(C(=O)NC[C@@H](C)[NH+]1CCCCC1)[C@@H]1CC[N@H+](C)C1 ZINC000853465989 826502532 /nfs/dbraw/zinc/50/25/32/826502532.db2.gz PEDWPWOKOSPRDD-HUUCEWRRSA-N 2 0 296.459 1.596 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)C[C@H]([NH3+])C1CC1 ZINC000123633287 826598760 /nfs/dbraw/zinc/59/87/60/826598760.db2.gz YTRBLZMSZGKRTH-OLZOCXBDSA-N 2 0 255.406 1.206 10 0 CDAERP COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925644618 826728731 /nfs/dbraw/zinc/72/87/31/826728731.db2.gz NWZARGGTCMZXIN-XDQVBPFNSA-N 2 0 295.427 1.713 10 0 CDAERP C[C@@H]1OC[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)[C@@H]1C ZINC000924711135 826790139 /nfs/dbraw/zinc/79/01/39/826790139.db2.gz FSRLJWAMWBNZBP-XUJVJEKNSA-N 2 0 252.402 1.874 10 0 CDAERP COC(=O)c1cnc([C@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)s1 ZINC000925879902 826800666 /nfs/dbraw/zinc/80/06/66/826800666.db2.gz LROUHERCWPYUNC-AEJSXWLSSA-N 2 0 283.397 1.708 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000852859039 826809919 /nfs/dbraw/zinc/80/99/19/826809919.db2.gz MUZOANMCESXRBQ-KGLIPLIRSA-N 2 0 263.385 1.039 10 0 CDAERP C[C@@H]1C[NH+](C[C@@H]2CCCN2CCC[NH2+]C2CC2)C[C@@H](C)O1 ZINC000923322977 826836598 /nfs/dbraw/zinc/83/65/98/826836598.db2.gz UDNBBXNCHDTWRC-INMHGKMJSA-N 2 0 295.471 1.702 10 0 CDAERP CC[C@H](NC[C@@]1(O)CC[N@H+](C)C1)c1cccc(OC)n1 ZINC000926175279 826845910 /nfs/dbraw/zinc/84/59/10/826845910.db2.gz WFFOHMVPMVBHLB-WFASDCNBSA-N 2 0 279.384 1.198 10 0 CDAERP C(N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925838465 826850504 /nfs/dbraw/zinc/85/05/04/826850504.db2.gz MCXPVGZGMPYKHH-ZSCHLQAHSA-N 2 0 261.413 1.105 10 0 CDAERP CCc1noc([C@@H]2CC[C@@H]([NH2+][C@H](CCC[NH3+])COC)C2)n1 ZINC000925874134 826870107 /nfs/dbraw/zinc/87/01/07/826870107.db2.gz WIWCUCDLHIOJEA-JHJVBQTASA-N 2 0 296.415 1.612 10 0 CDAERP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925879724 826875927 /nfs/dbraw/zinc/87/59/27/826875927.db2.gz JFNOQSAPMPJPJI-OJLVUWQFSA-N 3 0 261.413 1.662 10 0 CDAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@H]3COc4ccccc4O3)C[C@H]12 ZINC000312615483 826880916 /nfs/dbraw/zinc/88/09/16/826880916.db2.gz AKFUHGWSYWAPAS-ZOBORPQBSA-N 2 0 274.364 1.496 10 0 CDAERP Cc1cc(C)n2c(C[NH2+]CCCCCC[NH3+])cnc2n1 ZINC000843128126 826887074 /nfs/dbraw/zinc/88/70/74/826887074.db2.gz UNIYWJIPDJNPLH-UHFFFAOYSA-N 2 0 275.400 1.955 10 0 CDAERP CC(C)N1CCO[C@@H](C(=[NH2+])NOCc2nccs2)C1 ZINC000779654139 827014200 /nfs/dbraw/zinc/01/42/00/827014200.db2.gz ZGVCUCWVNRMKGO-SNVBAGLBSA-N 2 0 284.385 1.251 10 0 CDAERP C[N@H+]1CC=C(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC1 ZINC000925636433 827032538 /nfs/dbraw/zinc/03/25/38/827032538.db2.gz SDFSYIYBGUEHNQ-ILXRZTDVSA-N 3 0 263.429 1.615 10 0 CDAERP C[NH+](C)CCN1CCC([NH2+]CC2(O)CCCCC2)CC1 ZINC000819390968 827164005 /nfs/dbraw/zinc/16/40/05/827164005.db2.gz VXBOEXWNLACUJN-UHFFFAOYSA-N 2 0 283.460 1.297 10 0 CDAERP CC(C)CC[C@H](O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000923415036 827195080 /nfs/dbraw/zinc/19/50/80/827195080.db2.gz PNIVCTVCIXQWQU-ILXRZTDVSA-N 2 0 254.418 1.857 10 0 CDAERP Cc1nn(C)cc1[C@@H](C)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925844794 827270654 /nfs/dbraw/zinc/27/06/54/827270654.db2.gz LWOLHBBAMGAPHS-CQSZACIVSA-N 2 0 293.459 1.455 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000810188534 827279615 /nfs/dbraw/zinc/27/96/15/827279615.db2.gz LWYQJFSHENCUJE-IUODEOHRSA-N 2 0 285.407 1.409 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCCN3CCSC[C@H]23)C1 ZINC000720492805 827310726 /nfs/dbraw/zinc/31/07/26/827310726.db2.gz DQWOXIXUMCSQTP-XJFOESAGSA-N 2 0 269.458 1.426 10 0 CDAERP C(CC[NH2+][C@@H]1CCCSC1)CCN1CC[NH2+]CC1 ZINC000925846216 827345450 /nfs/dbraw/zinc/34/54/50/827345450.db2.gz SQRUATQHSHLIBX-CQSZACIVSA-N 2 0 271.474 1.547 10 0 CDAERP C[C@H]1CN(C)C[C@H]1[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000722243107 827350408 /nfs/dbraw/zinc/35/04/08/827350408.db2.gz GELKZPNVCYIIFG-FGZQJIAISA-N 2 0 253.434 1.789 10 0 CDAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CCC(C(N)=O)CC1 ZINC000093515544 827384956 /nfs/dbraw/zinc/38/49/56/827384956.db2.gz HNFBLTOPXULZHT-URGYJCLVSA-N 2 0 281.444 1.931 10 0 CDAERP COc1cc(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)on1 ZINC000923440019 827403630 /nfs/dbraw/zinc/40/36/30/827403630.db2.gz GJQPPHYHSJBMQI-LBPRGKRZSA-N 2 0 281.356 1.013 10 0 CDAERP C[C@H]1CN(Cc2nnc(C3CC3)n2C2CC2)CC[C@@H]1C[NH3+] ZINC000923495096 827405902 /nfs/dbraw/zinc/40/59/02/827405902.db2.gz SYEIUTLTHRGEEU-WCQYABFASA-N 2 0 289.427 1.907 10 0 CDAERP C[C@H](C[NH2+][C@H]1CCOC12CCCCC2)N1CC[NH+](C)CC1 ZINC000924965719 827441053 /nfs/dbraw/zinc/44/10/53/827441053.db2.gz PBICDBPZQQGLEA-CVEARBPZSA-N 2 0 295.471 1.704 10 0 CDAERP C[C@H]1C[N@H+](Cc2cc(-c3cnn(C)c3)no2)CC[C@H]1C[NH3+] ZINC000923493855 827446658 /nfs/dbraw/zinc/44/66/58/827446658.db2.gz ISPHABHMAJNATA-RYUDHWBXSA-N 2 0 289.383 1.492 10 0 CDAERP Cn1nc(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)cc1Cl ZINC000923447463 827507210 /nfs/dbraw/zinc/50/72/10/827507210.db2.gz UDIDMXKZBRZJDL-GFCCVEGCSA-N 2 0 298.818 1.403 10 0 CDAERP COc1ccc([C@H](CCO)[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925615103 827540986 /nfs/dbraw/zinc/54/09/86/827540986.db2.gz LJVLCYUFFSXOQL-HRCADAONSA-N 2 0 290.407 1.978 10 0 CDAERP [NH3+]C[C@H]1CN(Cc2cccc(O)c2)C[C@H]1C(F)(F)F ZINC000720856928 827559094 /nfs/dbraw/zinc/55/90/94/827559094.db2.gz LYZJSGZOOYTFKN-CMPLNLGQSA-N 2 0 274.286 1.961 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C[NH2+]1 ZINC000861563579 827569698 /nfs/dbraw/zinc/56/96/98/827569698.db2.gz UYWYPIDENOGSOL-OCCSQVGLSA-N 2 0 296.459 1.689 10 0 CDAERP CC(C)[C@@H](C[NH2+]Cc1cc[nH]c(=O)c1)N1CC[NH+](C)CC1 ZINC000921519648 827589624 /nfs/dbraw/zinc/58/96/24/827589624.db2.gz FKDXULSAENJWNB-OAHLLOKOSA-N 2 0 292.427 1.149 10 0 CDAERP C[C@@H]1C[N@H+](C[C@H](O)CCc2ccccc2)C[C@H]1C[NH3+] ZINC000923411602 827691727 /nfs/dbraw/zinc/69/17/27/827691727.db2.gz NYPRPUXIPYXKSM-FVQBIDKESA-N 2 0 262.397 1.507 10 0 CDAERP C[C@H](c1ccncc1)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923451630 827842289 /nfs/dbraw/zinc/84/22/89/827842289.db2.gz OUZDAOQZSXBARL-UKRRQHHQSA-N 2 0 275.396 1.972 10 0 CDAERP C[NH+](C)CC1(O)CC[NH+](C2CC(OC(C)(C)C)C2)CC1 ZINC000931480003 827888047 /nfs/dbraw/zinc/88/80/47/827888047.db2.gz JDUABJOKPQAKKF-UHFFFAOYSA-N 2 0 284.444 1.721 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000852832266 827922559 /nfs/dbraw/zinc/92/25/59/827922559.db2.gz JLLLAXHADOIRET-WDEREUQCSA-N 2 0 277.359 1.111 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H]([NH3+])CC1CC1 ZINC000310776738 827935774 /nfs/dbraw/zinc/93/57/74/827935774.db2.gz VXVJPVFYXYSEIQ-QWHCGFSZSA-N 2 0 255.406 1.206 10 0 CDAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCSC(F)(F)F)C[C@@H]12 ZINC000381397808 827982481 /nfs/dbraw/zinc/98/24/81/827982481.db2.gz PHAGDIILJVAUAY-DJLDLDEBSA-N 2 0 254.321 1.909 10 0 CDAERP C[C@@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1ccc(=O)[nH]n1 ZINC000925882315 828030899 /nfs/dbraw/zinc/03/08/99/828030899.db2.gz OBADOMLIBCZBOD-MRRJBJDNSA-N 2 0 298.390 1.892 10 0 CDAERP CC[C@H]1CCCCN1C(=O)CN1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000723853957 828055667 /nfs/dbraw/zinc/05/56/67/828055667.db2.gz BGEPOJITUJNBKB-MCIONIFRSA-N 2 0 267.417 1.304 10 0 CDAERP C[NH+](C)CC1(O)CC[NH+](C[C@@H]2CCCC(C)(C)O2)CC1 ZINC000714331171 828068509 /nfs/dbraw/zinc/06/85/09/828068509.db2.gz RYYJXMFVGGCTSG-AWEZNQCLSA-N 2 0 284.444 1.723 10 0 CDAERP C([C@@H]1CCC2(CCC2)O1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000712455044 828099112 /nfs/dbraw/zinc/09/91/12/828099112.db2.gz ZOWGVVHZSZGTFO-KBPBESRZSA-N 2 0 250.386 1.774 10 0 CDAERP C[C@@H]1[C@H](NC(=O)NC[C@H]2CCCC[NH+]2C2CC2)CC[N@@H+]1C ZINC000922206790 828188065 /nfs/dbraw/zinc/18/80/65/828188065.db2.gz RJTIKVLALUZMRB-BPLDGKMQSA-N 2 0 294.443 1.395 10 0 CDAERP CC(C)N(C(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1)C(C)C ZINC000923501762 828289085 /nfs/dbraw/zinc/28/90/85/828289085.db2.gz VFYIQZSSHPEHOB-KFWWJZLASA-N 2 0 283.460 1.937 10 0 CDAERP CC1CC(C[N@H+](C)CCCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001566516287 1168317622 /nfs/dbraw/zinc/31/76/22/1168317622.db2.gz GFNURMYTHHYLIO-YMAMQOFZSA-N 2 0 281.444 1.422 10 0 CDAERP CC[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)[C@H](C)COC ZINC001566563808 1168337565 /nfs/dbraw/zinc/33/75/65/1168337565.db2.gz JLYNHGCIBNKCRS-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP CC[N@H+](CCCNC(=O)CC1CC[NH+](C)CC1)CC1CC1 ZINC001566567149 1168340600 /nfs/dbraw/zinc/34/06/00/1168340600.db2.gz VTQKVJNRZFOCQY-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP O=C(N1CCCC[C@H]1C[NH2+]CCF)C12CCC[NH+]1CCC2 ZINC001566942777 1168475866 /nfs/dbraw/zinc/47/58/66/1168475866.db2.gz SYBRZNVYENBFLU-AWEZNQCLSA-N 2 0 297.418 1.555 10 0 CDAERP CCC[NH2+]CC[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001272566390 913455017 /nfs/dbraw/zinc/45/50/17/913455017.db2.gz WBCBBNYDPDHNLA-CABCVRRESA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001567382010 1168719651 /nfs/dbraw/zinc/71/96/51/1168719651.db2.gz CXWYMEUEFJMLTK-CQSZACIVSA-N 2 0 269.433 1.707 10 0 CDAERP O=C(C[NH+]1CCCC1)NCCC[C@H]1CCC[N@H+]1CCF ZINC001266244437 893899787 /nfs/dbraw/zinc/89/97/87/893899787.db2.gz POKLJPBPHLMCBF-AWEZNQCLSA-N 2 0 285.407 1.413 10 0 CDAERP CC(C)[C@@H](CNC(=[NH2+])NC1CC1)[NH+]1CCCCCC1 ZINC000066242736 894171693 /nfs/dbraw/zinc/17/16/93/894171693.db2.gz AEHOXQAPDULIGW-CQSZACIVSA-N 2 0 266.433 1.954 10 0 CDAERP CCC[NH2+][C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001266439928 894908820 /nfs/dbraw/zinc/90/88/20/894908820.db2.gz ZRKFOEXNGIQFAC-GXTWGEPZSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)=CC[N@H+](C)CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001480874441 894914258 /nfs/dbraw/zinc/91/42/58/894914258.db2.gz DPVKHGCLDWHETE-HNNXBMFYSA-N 2 0 281.444 1.875 10 0 CDAERP C[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)CC[C@H]1C[NH3+] ZINC000693053469 894955232 /nfs/dbraw/zinc/95/52/32/894955232.db2.gz DRFCEBFFQRYRLM-RDBSUJKOSA-N 2 0 256.390 1.099 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001266518194 895198665 /nfs/dbraw/zinc/19/86/65/895198665.db2.gz WEQDCTQXOHEIJY-KGLIPLIRSA-N 2 0 267.417 1.319 10 0 CDAERP CCCC[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001567498885 1168813767 /nfs/dbraw/zinc/81/37/67/1168813767.db2.gz VMUAAHSGZISWSQ-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP CC/C=C\CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001266583446 895457041 /nfs/dbraw/zinc/45/70/41/895457041.db2.gz XSOHTEMPYLGPBS-VMPYYGSESA-N 2 0 279.428 1.674 10 0 CDAERP C[C@H](F)CC[NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001567541942 1168840130 /nfs/dbraw/zinc/84/01/30/1168840130.db2.gz JIDUULMBVOBXHW-ZDUSSCGKSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)OCC[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001267022492 896580240 /nfs/dbraw/zinc/58/02/40/896580240.db2.gz JBHGPZZMESGYSH-GJZGRUSLSA-N 2 0 299.459 1.188 10 0 CDAERP CC(C)CC[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001267071699 896687496 /nfs/dbraw/zinc/68/74/96/896687496.db2.gz IVFGMZZSCNJHHP-ZDUSSCGKSA-N 2 0 255.406 1.032 10 0 CDAERP CCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001267128740 896878093 /nfs/dbraw/zinc/87/80/93/896878093.db2.gz ATVQZZFQXJLJOL-YNEHKIRRSA-N 2 0 255.406 1.221 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001480923172 897076004 /nfs/dbraw/zinc/07/60/04/897076004.db2.gz NCRFKOWJRNKLQX-LSDHHAIUSA-N 2 0 281.444 1.851 10 0 CDAERP CC[C@@H](C(=O)N(C)CC[NH2+]CCC1CCOCC1)[NH+](C)C ZINC001567591108 1168876295 /nfs/dbraw/zinc/87/62/95/1168876295.db2.gz WTYBILUGVBDFJN-HNNXBMFYSA-N 2 0 299.459 1.191 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CC[NH+](CCCF)C2)C1 ZINC001481117966 898908894 /nfs/dbraw/zinc/90/88/94/898908894.db2.gz FKJKHIBHWDJTSN-ZIAGYGMSSA-N 2 0 285.407 1.126 10 0 CDAERP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@@H+](CC[C@@H](C)F)C1 ZINC001481125094 898937846 /nfs/dbraw/zinc/93/78/46/898937846.db2.gz BAWSGPGFGIJMQY-ZIAGYGMSSA-N 2 0 287.423 1.513 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCCCCF)C1 ZINC001267679136 899255403 /nfs/dbraw/zinc/25/54/03/899255403.db2.gz NOIRDIFQABJPDB-CQSZACIVSA-N 2 0 285.407 1.268 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCC1CC1 ZINC001481228503 899509406 /nfs/dbraw/zinc/50/94/06/899509406.db2.gz GICYYXKYUBXEFN-HNNXBMFYSA-N 2 0 281.444 1.707 10 0 CDAERP CN(CC[NH2+]CC1CCC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001481302491 900264025 /nfs/dbraw/zinc/26/40/25/900264025.db2.gz MUSSDWCMEXUYEO-CQSZACIVSA-N 2 0 267.417 1.176 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CC[NH+](CC)C1 ZINC001481433891 900656999 /nfs/dbraw/zinc/65/69/99/900656999.db2.gz DEUCAVHVSKYLSG-HUUCEWRRSA-N 2 0 281.444 1.709 10 0 CDAERP CCOCC[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001268076131 901105296 /nfs/dbraw/zinc/10/52/96/901105296.db2.gz ANFVEYHYNNVMRA-AWEZNQCLSA-N 2 0 299.459 1.334 10 0 CDAERP CCCC[N@H+](C)CCN(C)C(=O)C[NH+](C)C(C)C ZINC001268260072 901692939 /nfs/dbraw/zinc/69/29/39/901692939.db2.gz SBCFLMNSIIHQOR-UHFFFAOYSA-N 2 0 257.422 1.517 10 0 CDAERP C[C@@H](CC[NH2+]Cc1cccnc1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001268346987 901907787 /nfs/dbraw/zinc/90/77/87/901907787.db2.gz APLDXNPZECKAEQ-ZFWWWQNUSA-N 2 0 290.411 1.160 10 0 CDAERP CC[C@@H](C(=O)N(CC)[C@H]1CC[N@H+](CCO)C1)[NH+](CC)CC ZINC001481774026 902114559 /nfs/dbraw/zinc/11/45/59/902114559.db2.gz HNIRVVCOFXDGHV-GJZGRUSLSA-N 2 0 299.459 1.022 10 0 CDAERP CCC[NH2+][C@H](CC)CNC(=O)Cn1cncc1C ZINC001481836193 902194721 /nfs/dbraw/zinc/19/47/21/902194721.db2.gz YDNGSEVWKRWKAT-GFCCVEGCSA-N 2 0 252.362 1.086 10 0 CDAERP CC[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]C(C)C ZINC001481867186 902242696 /nfs/dbraw/zinc/24/26/96/902242696.db2.gz BHTIZGYLYCQIRB-CHWSQXEVSA-N 2 0 255.406 1.221 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCC(C)C ZINC001481874588 902248866 /nfs/dbraw/zinc/24/88/66/902248866.db2.gz HNBUFQNWRXEJHL-KGLIPLIRSA-N 2 0 269.433 1.469 10 0 CDAERP CCN(CC[NH2+]CC1CC1)C(=O)C[NH+]1CCC(C)CC1 ZINC001268486585 902344169 /nfs/dbraw/zinc/34/41/69/902344169.db2.gz FFPZZFPITFQJDW-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP C[C@H](C[NH2+]CCCC(C)(C)C)NC(=O)CC[NH+](C)C ZINC001268660806 902911788 /nfs/dbraw/zinc/91/17/88/902911788.db2.gz WMHBSPPLBLOAOH-CYBMUJFWSA-N 2 0 271.449 1.859 10 0 CDAERP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]CC[C@@H](C)F)[NH+](C)C ZINC001268703895 902985687 /nfs/dbraw/zinc/98/56/87/902985687.db2.gz TUQJVRXWTHGLFY-FRRDWIJNSA-N 2 0 275.412 1.415 10 0 CDAERP C[NH+](C)C1(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CCCC1 ZINC001362166231 903278522 /nfs/dbraw/zinc/27/85/22/903278522.db2.gz WWIJTNSRDJNRFR-HNNXBMFYSA-N 2 0 293.455 1.948 10 0 CDAERP CC[NH2+]CCCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001268962704 903281701 /nfs/dbraw/zinc/28/17/01/903281701.db2.gz VVXGTTKFWUKMAQ-CQSZACIVSA-N 2 0 269.433 1.565 10 0 CDAERP CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC[NH+]1CCCC1 ZINC001268992861 903309421 /nfs/dbraw/zinc/30/94/21/903309421.db2.gz JFMFPXZGQIHBAN-HOTGVXAUSA-N 2 0 293.455 1.948 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001269293482 903664326 /nfs/dbraw/zinc/66/43/26/903664326.db2.gz XVRLKNASLADHES-XAQJJABOSA-N 2 0 281.444 1.873 10 0 CDAERP CC(C)=CCN1CC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001269327704 903696693 /nfs/dbraw/zinc/69/66/93/903696693.db2.gz YDAAOOCZRRIBQM-MRXNPFEDSA-N 2 0 293.455 1.875 10 0 CDAERP CCC[NH2+][C@@H](CC)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001269471028 903840760 /nfs/dbraw/zinc/84/07/60/903840760.db2.gz FBHNNBMHIBCPAD-STQMWFEESA-N 2 0 255.406 1.223 10 0 CDAERP CN(CC[NH2+]CCCC(C)(C)C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001493500761 904049731 /nfs/dbraw/zinc/04/97/31/904049731.db2.gz PUPMQRKJAFGOLW-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001362874276 904117722 /nfs/dbraw/zinc/11/77/22/904117722.db2.gz QEJPGDHVDYMKRO-ILXRZTDVSA-N 2 0 281.444 1.707 10 0 CDAERP CCCC[NH2+]C[C@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001270068535 904322455 /nfs/dbraw/zinc/32/24/55/904322455.db2.gz ZOSMEYZWTVSUOV-CQSZACIVSA-N 2 0 281.444 1.851 10 0 CDAERP CCCC[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001270263855 904486774 /nfs/dbraw/zinc/48/67/74/904486774.db2.gz YNNPOHKXUSJQQA-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP C[N@@H+]1CCN(C(=O)[C@H]2CCCC[C@@H]2[NH3+])CCC1(C)C ZINC000712678868 904546566 /nfs/dbraw/zinc/54/65/66/904546566.db2.gz PNDOYASXJREPPI-STQMWFEESA-N 2 0 267.417 1.447 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@](C)(C[NH2+]CCC2CC2)C1 ZINC001270698803 904956313 /nfs/dbraw/zinc/95/63/13/904956313.db2.gz XMTHBNMSQRNACM-WBVHZDCISA-N 2 0 293.455 1.709 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CC[C@](C)(C[NH2+]CC2CC2)C1 ZINC001270830894 905113512 /nfs/dbraw/zinc/11/35/12/905113512.db2.gz UQRHWRUSSGWLJP-QGZVFWFLSA-N 2 0 295.471 1.957 10 0 CDAERP C[NH+](C)CC1(C(=O)N2CCCC[C@@H]2CC[NH2+]CCF)CC1 ZINC001482454091 905624522 /nfs/dbraw/zinc/62/45/22/905624522.db2.gz FTIXFECZOYLOKC-CQSZACIVSA-N 2 0 299.434 1.659 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+](C)C ZINC001271092797 905639300 /nfs/dbraw/zinc/63/93/00/905639300.db2.gz LOTNRRKFZNWCTM-QWHCGFSZSA-N 2 0 257.422 1.421 10 0 CDAERP COCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001271677747 906591417 /nfs/dbraw/zinc/59/14/17/906591417.db2.gz NQFCKMUXMMRQSJ-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001423398328 907226174 /nfs/dbraw/zinc/22/61/74/907226174.db2.gz HIWRKRDPCHNPCA-KBPBESRZSA-N 2 0 283.460 1.811 10 0 CDAERP CCOCC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001567915004 1169067315 /nfs/dbraw/zinc/06/73/15/1169067315.db2.gz JEYCFKBOYGBRAS-HNNXBMFYSA-N 2 0 297.443 1.040 10 0 CDAERP CN(C/C=C\Cl)CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482642739 908107066 /nfs/dbraw/zinc/10/70/66/908107066.db2.gz RNUKPOUSAYJHLU-RYWCDNDXSA-N 2 0 287.835 1.471 10 0 CDAERP C[C@H](CC[NH2+]Cc1ccon1)NC(=O)C1([NH+](C)C)CCC1 ZINC001482838876 908414935 /nfs/dbraw/zinc/41/49/35/908414935.db2.gz HDIBKJUMCPCNTA-GFCCVEGCSA-N 2 0 294.399 1.143 10 0 CDAERP CCC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001482945826 908526094 /nfs/dbraw/zinc/52/60/94/908526094.db2.gz YASWNZCVHJLZPT-OAHLLOKOSA-N 2 0 283.460 1.957 10 0 CDAERP CCN(CC[NH2+]Cc1cnccc1C)C(=O)CC[NH+](C)C ZINC001482947505 908531454 /nfs/dbraw/zinc/53/14/54/908531454.db2.gz KHEXFLFNAUSWAI-UHFFFAOYSA-N 2 0 292.427 1.280 10 0 CDAERP CCC[NH2+]C/C=C\CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001483088650 909309903 /nfs/dbraw/zinc/30/99/03/909309903.db2.gz XENONAIEDFVOEA-MEJMFZKBSA-N 2 0 255.406 1.245 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCOC(C)C ZINC001483198138 909960703 /nfs/dbraw/zinc/96/07/03/909960703.db2.gz XSTSISCUQSWFGV-CABCVRRESA-N 2 0 299.459 1.380 10 0 CDAERP C[C@@H](CC[NH2+]CCCF)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001273017637 921565787 /nfs/dbraw/zinc/56/57/87/921565787.db2.gz CNSHYBAEOXSJHY-STQMWFEESA-N 2 0 273.396 1.172 10 0 CDAERP CCCC[NH2+]CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001273019533 921572221 /nfs/dbraw/zinc/57/22/21/921572221.db2.gz XEKUETISFYGNIT-ZIAGYGMSSA-N 2 0 269.433 1.613 10 0 CDAERP C[C@@H](C[NH2+]CC[C@@H]1CCCO1)NC(=O)C[N@H+](C)C1CCC1 ZINC001483235107 910449945 /nfs/dbraw/zinc/44/99/45/910449945.db2.gz BAVURQUQLUWMCE-ZFWWWQNUSA-N 2 0 297.443 1.134 10 0 CDAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[N@H+](C)CCC1CC1 ZINC001409626061 910569474 /nfs/dbraw/zinc/56/94/74/910569474.db2.gz AVGCBISGLGDUNC-ZDUSSCGKSA-N 2 0 279.428 1.319 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]C/C=C\Cl ZINC001483297005 910809487 /nfs/dbraw/zinc/80/94/87/910809487.db2.gz UUWIKKPAYANBPM-SVSNBYFCSA-N 2 0 287.835 1.708 10 0 CDAERP CCC/C=C/CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001483791137 915067317 /nfs/dbraw/zinc/06/73/17/915067317.db2.gz QZYFCAHZPCIDLK-NFAHFFEMSA-N 2 0 293.455 1.923 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001483924732 915197011 /nfs/dbraw/zinc/19/70/11/915197011.db2.gz KOHYIGBPHGTLEL-OLZOCXBDSA-N 2 0 253.390 1.071 10 0 CDAERP C=C/C=C\CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001648764599 1169157787 /nfs/dbraw/zinc/15/77/87/1169157787.db2.gz SUXBXXIEJZHBHP-AZJURWTESA-N 2 0 279.428 1.317 10 0 CDAERP C[NH+](C)CC1(C(=O)N2CC[C@H](CC[NH2+]CCF)C2)CC1 ZINC001484535731 915865439 /nfs/dbraw/zinc/86/54/39/915865439.db2.gz JSPNXMBBYYQJQK-ZDUSSCGKSA-N 2 0 285.407 1.126 10 0 CDAERP CC(C)C[NH2+]C1(C)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001484923271 916279042 /nfs/dbraw/zinc/27/90/42/916279042.db2.gz KGLZYUGHWIJDME-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CCCC[C@H]1C[NH2+]CCC1CC1 ZINC001485041369 916405967 /nfs/dbraw/zinc/40/59/67/916405967.db2.gz FSGKWMYQNAOCHH-INIZCTEOSA-N 2 0 293.455 1.853 10 0 CDAERP CCOCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001485167343 916602418 /nfs/dbraw/zinc/60/24/18/916602418.db2.gz VQRASJKAVPFGBC-UONOGXRCSA-N 2 0 297.443 1.134 10 0 CDAERP CC[N@H+](C)[C@@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001485356247 916902682 /nfs/dbraw/zinc/90/26/82/916902682.db2.gz BITZHRPVGWCXOM-KBPBESRZSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)C[NH+]1CC([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001485537351 917067240 /nfs/dbraw/zinc/06/72/40/917067240.db2.gz KNCHWVIATTYUOX-ZDUSSCGKSA-N 2 0 267.417 1.175 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]CC2CCC2)C1 ZINC001485702898 917205708 /nfs/dbraw/zinc/20/57/08/917205708.db2.gz HOEDWUKJROYTLC-SHTZXODSSA-N 2 0 281.444 1.613 10 0 CDAERP C[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)CC1CCCC1 ZINC001366587163 917674952 /nfs/dbraw/zinc/67/49/52/917674952.db2.gz VHPLCOZAMUIKOC-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP CC[C@H](F)C[N@H+](CC)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001366640175 917844090 /nfs/dbraw/zinc/84/40/90/917844090.db2.gz UDXFUPIAUOBJJG-ZDUSSCGKSA-N 2 0 285.407 1.268 10 0 CDAERP C[NH+](C)C1(C)CCC(NC(=O)CCC2C[NH2+]C2)CC1 ZINC000715498834 919281533 /nfs/dbraw/zinc/28/15/33/919281533.db2.gz BJQSLFXVVNDRIT-UHFFFAOYSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001486222707 920833572 /nfs/dbraw/zinc/83/35/72/920833572.db2.gz ZQSKKNIZHBSNSP-ZIAGYGMSSA-N 2 0 269.433 1.610 10 0 CDAERP CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC([NH2+]CC2CC2)C1 ZINC001486466701 921041868 /nfs/dbraw/zinc/04/18/68/921041868.db2.gz MDKUPDXYABPHFD-PCKAHOCUSA-N 2 0 293.455 1.850 10 0 CDAERP CC(C)OCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001490948512 936834212 /nfs/dbraw/zinc/83/42/12/936834212.db2.gz QCSFQSKAXYPOHB-RBSFLKMASA-N 2 0 299.459 1.234 10 0 CDAERP O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@@H]([NH2+]CCF)C1 ZINC001491080044 936851753 /nfs/dbraw/zinc/85/17/53/936851753.db2.gz IRVWXVZGYMNNNW-BETUJISGSA-N 2 0 271.380 1.069 10 0 CDAERP C[C@H]1C[N@H+](Cc2noc3c2CCCC3)CC[C@@H]1C[NH3+] ZINC000923496928 923882552 /nfs/dbraw/zinc/88/25/52/923882552.db2.gz KJVQPTIFFIYSBY-NWDGAFQWSA-N 2 0 263.385 1.970 10 0 CDAERP CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@H]2C1 ZINC001410187909 925366075 /nfs/dbraw/zinc/36/60/75/925366075.db2.gz OTIDYBGQMNVHLR-JYJNAYRXSA-N 2 0 295.471 1.953 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CCCC1 ZINC001142326673 937006007 /nfs/dbraw/zinc/00/60/07/937006007.db2.gz YMMJQFFOFSRXAM-GFCCVEGCSA-N 2 0 265.401 1.214 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1)[NH2+]C/C=C/Cl ZINC001410378920 925583459 /nfs/dbraw/zinc/58/34/59/925583459.db2.gz KMYJWJILZRUBSX-OYGSNPQQSA-N 2 0 296.802 1.702 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]C(C)C ZINC001495005260 926629858 /nfs/dbraw/zinc/62/98/58/926629858.db2.gz JXGGWBFFWGMCTB-STQMWFEESA-N 2 0 255.406 1.364 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001488790633 926716885 /nfs/dbraw/zinc/71/68/85/926716885.db2.gz XUXNMPGZTVYLGS-BARDWOONSA-N 2 0 299.434 1.561 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+]CC[C@H](C)F)C1 ZINC001488879575 926748922 /nfs/dbraw/zinc/74/89/22/926748922.db2.gz DLYZWZFTBRVBQN-IHRRRGAJSA-N 2 0 287.423 1.559 10 0 CDAERP CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001488943526 926757152 /nfs/dbraw/zinc/75/71/52/926757152.db2.gz CLGOOHUVGCWDHH-RRFJBIMHSA-N 2 0 281.444 1.755 10 0 CDAERP Cc1cc(NCC[C@@H](C)[N@H+](C)Cc2ccccc2)nc(N)[nH+]1 ZINC000379691905 927158876 /nfs/dbraw/zinc/15/88/76/927158876.db2.gz IKMOZRNHACHNBY-CQSZACIVSA-N 2 0 299.422 1.942 10 0 CDAERP O=C(NCC[NH+]1CC=CC1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC001116281893 937440474 /nfs/dbraw/zinc/44/04/74/937440474.db2.gz WHTMZYZKKLEJGV-UHFFFAOYSA-N 2 0 298.350 1.261 10 0 CDAERP CC[C@H](C(=O)NC/C=C/C[NH2+]Cc1ccns1)[NH+](C)C ZINC001274125963 931185087 /nfs/dbraw/zinc/18/50/87/931185087.db2.gz WFJGFSDCTBXPJT-URWSZGRFSA-N 2 0 296.440 1.245 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H](C)[C@H]1C[NH2+]CCF ZINC001319865223 931489358 /nfs/dbraw/zinc/48/93/58/931489358.db2.gz RQOHLJAZIACGON-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC1CC1 ZINC001274411962 931497996 /nfs/dbraw/zinc/49/79/96/931497996.db2.gz BVNNGEGGOQEPCH-YIEVGGLXSA-N 2 0 293.455 1.921 10 0 CDAERP C[C@H](C[NH2+]CC[C@H](C)F)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001274893992 931604069 /nfs/dbraw/zinc/60/40/69/931604069.db2.gz DXIAQWTYVVNHES-CRWXNKLISA-N 2 0 287.423 1.559 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CCC[NH+]3CCC[C@H]3C2)C1 ZINC001412473984 932444187 /nfs/dbraw/zinc/44/41/87/932444187.db2.gz YREAOJBHKHXJGW-CVEARBPZSA-N 2 0 293.455 1.804 10 0 CDAERP CN(CCC[NH2+]C/C=C\Cl)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001276076053 932494421 /nfs/dbraw/zinc/49/44/21/932494421.db2.gz JBABATYUIOXEGN-UJZCVKTISA-N 2 0 287.835 1.661 10 0 CDAERP CC[C@H]1CC[C@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925846190 932945486 /nfs/dbraw/zinc/94/54/86/932945486.db2.gz LMBHUNYIAJPRPY-LSDHHAIUSA-N 2 0 253.434 1.840 10 0 CDAERP CN(C[C@H]1CCC[N@@H+]1C)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001119609047 937738775 /nfs/dbraw/zinc/73/87/75/937738775.db2.gz ZILJWRDEPQNQNJ-GRYCIOLGSA-N 2 0 294.365 1.139 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)NCCCCC[NH+]1CCCCC1 ZINC000193314970 934675374 /nfs/dbraw/zinc/67/53/74/934675374.db2.gz JULPQJDMTUMKKM-CQSZACIVSA-N 2 0 269.433 1.886 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC001412895016 935079634 /nfs/dbraw/zinc/07/96/34/935079634.db2.gz UECZFEAUXNBTJB-CQSZACIVSA-N 2 0 283.460 1.812 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001412922104 935092789 /nfs/dbraw/zinc/09/27/89/935092789.db2.gz SIWMDRCCHSAUKE-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001413000709 935156302 /nfs/dbraw/zinc/15/63/02/935156302.db2.gz HRKDVNHOBFHWON-RBSFLKMASA-N 2 0 281.444 1.659 10 0 CDAERP CC(C)C[NH2+]CC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC001329703629 940900320 /nfs/dbraw/zinc/90/03/20/940900320.db2.gz ORSPPWVWSNCLGC-GFCCVEGCSA-N 2 0 255.406 1.126 10 0 CDAERP C[C@H](CN[C@H]1C[C@@H]([NH3+])C12CCC2)C[NH+]1CCCCC1 ZINC000405295919 940979665 /nfs/dbraw/zinc/97/96/65/940979665.db2.gz GRETZQYUIQYNRM-KFWWJZLASA-N 2 0 265.445 1.968 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@@H](C)O)[C@H](C)C1 ZINC001473408453 970790732 /nfs/dbraw/zinc/79/07/32/970790732.db2.gz IOEXKGQVEIMBTO-TUVASFSCSA-N 2 0 272.433 1.482 10 0 CDAERP CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001277218126 942186331 /nfs/dbraw/zinc/18/63/31/942186331.db2.gz PBCHEFFKKKCNTC-CHWSQXEVSA-N 2 0 255.406 1.365 10 0 CDAERP COCCCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001282411556 942708823 /nfs/dbraw/zinc/70/88/23/942708823.db2.gz KANIYRSHMXSVKZ-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)=CC[NH+]1CC([C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001282739435 942748162 /nfs/dbraw/zinc/74/81/62/942748162.db2.gz UQZAGLWIFGLPMD-CABCVRRESA-N 2 0 293.455 1.731 10 0 CDAERP CC[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](C(C)C)C[C@H]21)[NH+](C)C ZINC001282888866 942766522 /nfs/dbraw/zinc/76/65/22/942766522.db2.gz MWVRIHMWYFEGMG-FQUUOJAGSA-N 2 0 267.417 1.029 10 0 CDAERP CC(C)=CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001283340520 942880982 /nfs/dbraw/zinc/88/09/82/942880982.db2.gz MFZDOPAQJGVGJG-OAHLLOKOSA-N 2 0 293.455 1.827 10 0 CDAERP CC[N@H+]1CC=C(CNC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001284927411 943290905 /nfs/dbraw/zinc/29/09/05/943290905.db2.gz CYFQJJNBWZZULD-OAHLLOKOSA-N 2 0 279.428 1.629 10 0 CDAERP CC/C=C/CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001263879110 944018660 /nfs/dbraw/zinc/01/86/60/944018660.db2.gz MUFARGOSKROUNL-VCMBOFEFSA-N 2 0 293.455 1.779 10 0 CDAERP CC[NH2+][C@@H]1CCCCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001264125152 944084610 /nfs/dbraw/zinc/08/46/10/944084610.db2.gz CSZVQJZGFDMVOB-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP CCC[N@H+](C)CCOCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001264666622 944161251 /nfs/dbraw/zinc/16/12/51/944161251.db2.gz XABVWFFVPHBJQE-UHFFFAOYSA-N 2 0 299.459 1.145 10 0 CDAERP C[C@H]([NH2+]CCCF)[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001265094730 944226936 /nfs/dbraw/zinc/22/69/36/944226936.db2.gz IXRSYRLGNQQLBH-LSDHHAIUSA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)=CC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001265445248 944391389 /nfs/dbraw/zinc/39/13/89/944391389.db2.gz JLPRBXOBMUCFEK-ZDUSSCGKSA-N 2 0 253.390 1.095 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCCF)C1 ZINC001265546520 944424763 /nfs/dbraw/zinc/42/47/63/944424763.db2.gz QBEMTCXXFSEUFD-QLFBSQMISA-N 2 0 299.434 1.703 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]CCC[C@@H](C)O ZINC001278007467 944561734 /nfs/dbraw/zinc/56/17/34/944561734.db2.gz VXDNHTMIYRWFAS-HUUCEWRRSA-N 2 0 299.459 1.068 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001266220178 944768831 /nfs/dbraw/zinc/76/88/31/944768831.db2.gz PDTJHVLPJILNEI-AWEZNQCLSA-N 2 0 281.444 1.851 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001362345325 971175408 /nfs/dbraw/zinc/17/54/08/971175408.db2.gz GULYYURTUNQCLM-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)CCC(=O)NC/C=C/C[NH2+]CCC(C)(C)C ZINC001568911495 1169545835 /nfs/dbraw/zinc/54/58/35/1169545835.db2.gz FKYKCZZJMOZTMY-VOTSOKGWSA-N 2 0 269.433 1.636 10 0 CDAERP COc1ccc(CC[NH2+]C[C@@H](N)CC(F)F)cn1 ZINC001262162490 946481348 /nfs/dbraw/zinc/48/13/48/946481348.db2.gz PSWPVVPQRXJXSM-JTQLQIEISA-N 2 0 259.300 1.205 10 0 CDAERP C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](C[NH2+]CCF)C1 ZINC001479581178 971343000 /nfs/dbraw/zinc/34/30/00/971343000.db2.gz QLVBLWACYFSDIQ-ILXRZTDVSA-N 2 0 299.434 1.514 10 0 CDAERP C[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)CC1CCCC1 ZINC001479794339 971422749 /nfs/dbraw/zinc/42/27/49/971422749.db2.gz YRDOFBUYRVXDMP-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@H](C[NH2+]CCC1CCCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001569036028 1169606288 /nfs/dbraw/zinc/60/62/88/1169606288.db2.gz KGCUKKUCBJVNAF-UKRRQHHQSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001480275519 971655784 /nfs/dbraw/zinc/65/57/84/971655784.db2.gz BJNLORHWKGZMQW-HOTGVXAUSA-N 2 0 293.455 1.875 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC001362841180 971659736 /nfs/dbraw/zinc/65/97/36/971659736.db2.gz GMIIVNIFBYUQSS-UONOGXRCSA-N 2 0 283.460 1.811 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H](C[NH2+]CCCF)C1 ZINC001480294381 971661972 /nfs/dbraw/zinc/66/19/72/971661972.db2.gz HRIDDZCELROQPJ-CYBMUJFWSA-N 2 0 273.396 1.126 10 0 CDAERP C[C@@H](C[NH2+]CCC1CC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001569090592 1169639928 /nfs/dbraw/zinc/63/99/28/1169639928.db2.gz NJGWXLJMHPQMHK-JSGCOSHPSA-N 2 0 267.417 1.223 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CCCC1 ZINC001362950224 971754638 /nfs/dbraw/zinc/75/46/38/971754638.db2.gz VPGQQBSNQXGFJH-ZDUSSCGKSA-N 2 0 281.444 1.850 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCC2CC2)C1 ZINC001480650871 971824759 /nfs/dbraw/zinc/82/47/59/971824759.db2.gz GNWLRVUSIFTWQQ-HOTGVXAUSA-N 2 0 293.455 1.709 10 0 CDAERP COCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001480729759 971853745 /nfs/dbraw/zinc/85/37/45/971853745.db2.gz IALZOGFCSABQAK-LSDHHAIUSA-N 2 0 297.443 1.040 10 0 CDAERP Cc1conc1C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001480753830 971864188 /nfs/dbraw/zinc/86/41/88/971864188.db2.gz LYWJZNZJRKCFRJ-JSGCOSHPSA-N 2 0 294.399 1.062 10 0 CDAERP C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCC(C)(C)C ZINC001480808565 971888276 /nfs/dbraw/zinc/88/82/76/971888276.db2.gz MMRWLAJPMGXUAI-KGLIPLIRSA-N 2 0 283.460 1.859 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001480818514 971893509 /nfs/dbraw/zinc/89/35/09/971893509.db2.gz NLYJLWRUOLNDJF-GJZGRUSLSA-N 2 0 281.444 1.851 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CC[C@]3(CC[NH+](C)C3)C2)C1 ZINC001363107484 971894149 /nfs/dbraw/zinc/89/41/49/971894149.db2.gz MHUPKXNJPLILOQ-WBVHZDCISA-N 2 0 293.455 1.661 10 0 CDAERP C[NH2+]CCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001325312569 953829697 /nfs/dbraw/zinc/82/96/97/953829697.db2.gz ZRHRCLJJSINEJW-ZIAGYGMSSA-N 2 0 294.374 1.090 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CCF)CC1 ZINC001325649385 954007758 /nfs/dbraw/zinc/00/77/58/954007758.db2.gz OWOYHTLIPFLKOY-KKUMJFAQSA-N 2 0 299.434 1.562 10 0 CDAERP [NH3+][C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C1CCCCC1 ZINC001326311185 954316333 /nfs/dbraw/zinc/31/63/33/954316333.db2.gz PHHNTFHNEPLKQR-MJBXVCDLSA-N 2 0 265.401 1.247 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H]1C[N@H+](C)CC1(C)C)[NH+]1CCCCC1 ZINC001364242555 954371264 /nfs/dbraw/zinc/37/12/64/954371264.db2.gz ZTVLSBVCLLUXIO-LSDHHAIUSA-N 2 0 295.471 1.953 10 0 CDAERP CN(C(=O)C1([NH+](C)C)CCCC1)[C@@H]1CCC[N@H+](C)C1 ZINC001294193924 954474213 /nfs/dbraw/zinc/47/42/13/954474213.db2.gz DMJBPZHRVZNSRT-CYBMUJFWSA-N 2 0 267.417 1.413 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001326727885 954514995 /nfs/dbraw/zinc/51/49/95/954514995.db2.gz FZYXGSZYLJFDAW-BETUJISGSA-N 2 0 265.401 1.071 10 0 CDAERP C[C@H](CN1CCOCC1)C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC001364474866 954657292 /nfs/dbraw/zinc/65/72/92/954657292.db2.gz OKMOMHPURXRYKE-INIZCTEOSA-N 2 0 295.471 1.515 10 0 CDAERP [NH3+]CCCCNC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC001327501529 954909822 /nfs/dbraw/zinc/90/98/22/954909822.db2.gz XGERXJPBHFKIFF-AWEZNQCLSA-N 2 0 282.432 1.147 10 0 CDAERP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](C)CN2CCOCC2)C1 ZINC001364655757 954967077 /nfs/dbraw/zinc/96/70/77/954967077.db2.gz QNNKUTOACSSBBG-JKSUJKDBSA-N 2 0 283.460 1.228 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCCF)C2)C1 ZINC001316663190 955063896 /nfs/dbraw/zinc/06/38/96/955063896.db2.gz DKPBVBZEUZXSRD-RRFJBIMHSA-N 2 0 299.434 1.562 10 0 CDAERP O=C(C[C@H]1CC[NH2+]C1)N1CCC(c2c[nH]cn2)CC1 ZINC001328443365 955297750 /nfs/dbraw/zinc/29/77/50/955297750.db2.gz RIPMJSQZINHIOP-LLVKDONJSA-N 2 0 262.357 1.115 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001329053793 955656236 /nfs/dbraw/zinc/65/62/36/955656236.db2.gz IOEYDMAWPCDAFK-ZIAGYGMSSA-N 2 0 281.444 1.920 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NCCC[C@@H]2CCC[NH+]2CCF)C1 ZINC001492178954 955668968 /nfs/dbraw/zinc/66/89/68/955668968.db2.gz SRXBXKZHVMRPHM-UONOGXRCSA-N 2 0 285.407 1.268 10 0 CDAERP Cc1ncccc1C[NH2+]CCN(C)C(=O)C[N@@H+](C)C(C)C ZINC001493805893 972117176 /nfs/dbraw/zinc/11/71/76/972117176.db2.gz ALLFQTMYGMKSEB-UHFFFAOYSA-N 2 0 292.427 1.278 10 0 CDAERP COCCCC[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001492385916 955850888 /nfs/dbraw/zinc/85/08/88/955850888.db2.gz HNOUQEXUYFJWKT-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@H]1CC[NH2+]CCF ZINC001316682838 955997985 /nfs/dbraw/zinc/99/79/85/955997985.db2.gz BVJSXFHFTZYRQI-CABCVRRESA-N 2 0 299.434 1.659 10 0 CDAERP C[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)[C@H](C)[NH2+]CCF ZINC001422448091 956014261 /nfs/dbraw/zinc/01/42/61/956014261.db2.gz MBBFPBPEDCXJGP-STQMWFEESA-N 2 0 295.402 1.814 10 0 CDAERP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccnc(F)c1 ZINC001329710096 956075947 /nfs/dbraw/zinc/07/59/47/956075947.db2.gz HZAHAWJDDIZVGH-ZDUSSCGKSA-N 2 0 269.364 1.667 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1CCC[N@H+](CCC(C)C)C1)[NH+](C)C ZINC001365945412 956461400 /nfs/dbraw/zinc/46/14/00/956461400.db2.gz PXNWJSIXANGGAH-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001366030848 956524889 /nfs/dbraw/zinc/52/48/89/956524889.db2.gz ROWONILYISQEJM-CABCVRRESA-N 2 0 281.444 1.611 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001366171251 956617340 /nfs/dbraw/zinc/61/73/40/956617340.db2.gz UEWIWXOMLYWFCA-KFWWJZLASA-N 2 0 299.434 1.847 10 0 CDAERP CC(C)[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@H]12 ZINC001423356453 956736052 /nfs/dbraw/zinc/73/60/52/956736052.db2.gz QYCAODODIYPIEO-DOTOQJQBSA-N 2 0 293.455 1.992 10 0 CDAERP CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001423541154 956836908 /nfs/dbraw/zinc/83/69/08/956836908.db2.gz RYANJOKPDKQSBU-LSDHHAIUSA-N 2 0 299.459 1.020 10 0 CDAERP C[C@@H](CCNC(=O)CC[NH+](C)C)[NH2+]Cc1cccc(F)c1 ZINC001366488428 956868138 /nfs/dbraw/zinc/86/81/38/956868138.db2.gz NSCWBYOPKSRZPJ-ZDUSSCGKSA-N 2 0 295.402 1.762 10 0 CDAERP CC[NH2+]C[C@]1(C)CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001423634583 956913353 /nfs/dbraw/zinc/91/33/53/956913353.db2.gz FFDVGWUMKAGWBQ-ZBFHGGJFSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001423632467 956913643 /nfs/dbraw/zinc/91/36/43/956913643.db2.gz QFYLCIUPYPLXPU-YQQAZPJKSA-N 2 0 295.471 1.953 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H]1C ZINC001316786531 957015552 /nfs/dbraw/zinc/01/55/52/957015552.db2.gz JEQBEGYLUGCNEE-RDBSUJKOSA-N 2 0 269.433 1.562 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](CCC1CC1)C1CC1 ZINC001316921119 957125781 /nfs/dbraw/zinc/12/57/81/957125781.db2.gz MQUODFQYFWIXTM-MRXNPFEDSA-N 2 0 293.455 1.851 10 0 CDAERP CC[NH2+]C1(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CCC1 ZINC001424216831 957158270 /nfs/dbraw/zinc/15/82/70/957158270.db2.gz TUTOZDGSDQMBLS-MRXNPFEDSA-N 2 0 299.434 1.847 10 0 CDAERP CC[C@@H](F)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001424332306 957205874 /nfs/dbraw/zinc/20/58/74/957205874.db2.gz RKTRVRHFTDGUDM-ZIAGYGMSSA-N 2 0 287.423 1.467 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]([NH2+]CCCF)C1 ZINC001317061104 957235992 /nfs/dbraw/zinc/23/59/92/957235992.db2.gz SAHOKIANEJLPHD-UONOGXRCSA-N 2 0 285.407 1.411 10 0 CDAERP CC(C)C[C@@H](C)C[NH+]1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001366949416 957291975 /nfs/dbraw/zinc/29/19/75/957291975.db2.gz MQIALXFLYBJKCI-CQSZACIVSA-N 2 0 281.444 1.565 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001317158040 957311104 /nfs/dbraw/zinc/31/11/04/957311104.db2.gz PNOYCQGRBDUHKF-HNNXBMFYSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)=CC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC001331930518 957342497 /nfs/dbraw/zinc/34/24/97/957342497.db2.gz YADAPYUWNJGGOL-CABCVRRESA-N 2 0 291.439 1.627 10 0 CDAERP CC[C@@H](C(=O)NC1CCC([NH2+]CCCOC)CC1)[NH+](C)C ZINC001317226244 957354531 /nfs/dbraw/zinc/35/45/31/957354531.db2.gz IWKYHBMKOOQKBJ-NRXISQOPSA-N 2 0 299.459 1.380 10 0 CDAERP CC(C)[NH2+][C@H](C)[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001424792776 957360637 /nfs/dbraw/zinc/36/06/37/957360637.db2.gz PGULJBUWUYGHAP-ZIAGYGMSSA-N 2 0 281.444 1.754 10 0 CDAERP CC1CC(C[N@@H+]2CC[C@H](N(C)C(=O)CC[NH+](C)C)C2)C1 ZINC001367058984 957372012 /nfs/dbraw/zinc/37/20/12/957372012.db2.gz LUUJTCOOSNWABK-NRXISQOPSA-N 2 0 281.444 1.517 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001367059463 957373086 /nfs/dbraw/zinc/37/30/86/957373086.db2.gz NHUBUPYAZHNKQC-JKSUJKDBSA-N 2 0 295.471 1.907 10 0 CDAERP CC[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](CCOC)C1)[NH+](CC)CC ZINC001367062271 957376773 /nfs/dbraw/zinc/37/67/73/957376773.db2.gz VTVZGSRBURIDEH-CABCVRRESA-N 2 0 299.459 1.286 10 0 CDAERP CCCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001317332055 957426981 /nfs/dbraw/zinc/42/69/81/957426981.db2.gz WPYYSBVGHMXVMN-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@@H](F)CC[N@H+](C)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001424995076 957439269 /nfs/dbraw/zinc/43/92/69/957439269.db2.gz GVZWRDKJWDZLML-CHWSQXEVSA-N 2 0 287.423 1.513 10 0 CDAERP C[C@@H](F)CC[N@H+](C)[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001424995079 957439520 /nfs/dbraw/zinc/43/95/20/957439520.db2.gz GVZWRDKJWDZLML-OLZOCXBDSA-N 2 0 287.423 1.513 10 0 CDAERP CC(C)CC[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001317390604 957449162 /nfs/dbraw/zinc/44/91/62/957449162.db2.gz WQHMRLSOSPTJEA-ZIAGYGMSSA-N 2 0 269.433 1.611 10 0 CDAERP CN(CC[NH2+]C/C=C/Cl)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001317652704 957623432 /nfs/dbraw/zinc/62/34/32/957623432.db2.gz BWKLPDIAXOCUJK-PYEVWLCESA-N 2 0 273.808 1.129 10 0 CDAERP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)[NH2+]CCF ZINC001367129108 957695403 /nfs/dbraw/zinc/69/54/03/957695403.db2.gz NMGWOHATQFJECM-UONOGXRCSA-N 2 0 287.423 1.703 10 0 CDAERP C[C@@H](CNC(=O)Cc1c[nH]cn1)C[NH2+]CC1CC(C)(C)C1 ZINC001367295666 957912288 /nfs/dbraw/zinc/91/22/88/957912288.db2.gz SCQGTMJBADTZRZ-GFCCVEGCSA-N 2 0 292.427 1.730 10 0 CDAERP CC[C@H](C)C[NH+]1CC(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001318155619 957946834 /nfs/dbraw/zinc/94/68/34/957946834.db2.gz RRZARYJOXPQRQX-JSGCOSHPSA-N 2 0 269.433 1.421 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001318275690 958013760 /nfs/dbraw/zinc/01/37/60/958013760.db2.gz DTRSEQLPXPAREH-AWEZNQCLSA-N 2 0 267.417 1.319 10 0 CDAERP COCC[N@@H+]1CC[C@@H](N(C)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001494830179 972319334 /nfs/dbraw/zinc/31/93/34/972319334.db2.gz NYWGTRSHDNFVTK-LSDHHAIUSA-N 2 0 297.443 1.040 10 0 CDAERP COCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001494848400 972323602 /nfs/dbraw/zinc/32/36/02/972323602.db2.gz RPSOHBCYXWGDMV-HUUCEWRRSA-N 2 0 299.459 1.142 10 0 CDAERP C[NH+](C)CC1(C(=O)N2CCC(CC[NH2+]CCF)CC2)CC1 ZINC001318908417 958298213 /nfs/dbraw/zinc/29/82/13/958298213.db2.gz VRGIFESHKZEZLN-UHFFFAOYSA-N 2 0 299.434 1.516 10 0 CDAERP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)C[NH2+]C/C=C\Cl ZINC001319195061 958425771 /nfs/dbraw/zinc/42/57/71/958425771.db2.gz FIPYHCSRNJJKDL-DJFZKKHWSA-N 2 0 287.835 1.565 10 0 CDAERP CC[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001319512528 958602300 /nfs/dbraw/zinc/60/23/00/958602300.db2.gz VNXIQYUAQQUSLA-GFCCVEGCSA-N 2 0 255.406 1.317 10 0 CDAERP CC/C=C/CC[NH2+]C[C@H](C)N(C)C(=O)Cc1cnc[nH]1 ZINC001319538025 958615466 /nfs/dbraw/zinc/61/54/66/958615466.db2.gz MUSLSHBCAACNCH-GFUIURDCSA-N 2 0 278.400 1.745 10 0 CDAERP COCC[NH2+]C[C@H](C)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001319540802 958619448 /nfs/dbraw/zinc/61/94/48/958619448.db2.gz NPBSSWFQPKJALR-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)[NH+]1CCC(C)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001368209486 958703388 /nfs/dbraw/zinc/70/33/88/958703388.db2.gz WRHIDAWAXHLBNK-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP COCC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC001319936119 958795341 /nfs/dbraw/zinc/79/53/41/958795341.db2.gz MYTKXEWZPLOVJS-SOUVJXGZSA-N 2 0 299.459 1.094 10 0 CDAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]C(C)C ZINC001495047519 972385999 /nfs/dbraw/zinc/38/59/99/972385999.db2.gz VINCDQSPJOEVRI-IHRRRGAJSA-N 2 0 269.433 1.610 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001368562481 958968614 /nfs/dbraw/zinc/96/86/14/958968614.db2.gz PTNPKLQTCQCTOZ-HNNXBMFYSA-N 2 0 295.471 1.909 10 0 CDAERP C[C@@H](F)CC[NH2+]C1(C)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001368667762 959027086 /nfs/dbraw/zinc/02/70/86/959027086.db2.gz DCDPYILOXSJVEG-CQSZACIVSA-N 2 0 299.434 1.801 10 0 CDAERP c1n[nH]cc1CC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC001334390043 959077262 /nfs/dbraw/zinc/07/72/62/959077262.db2.gz LFCGKNSBYVSJRY-CABCVRRESA-N 2 0 262.401 1.710 10 0 CDAERP CCCCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001320373912 959130405 /nfs/dbraw/zinc/13/04/05/959130405.db2.gz XPEZSJISPYSDGP-ZIAGYGMSSA-N 2 0 269.433 1.755 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]C(C)C ZINC001320438972 959174489 /nfs/dbraw/zinc/17/44/89/959174489.db2.gz IHZCIVQDCQXCLP-UONOGXRCSA-N 2 0 269.433 1.754 10 0 CDAERP C[C@@H]([NH2+]CCC1CCOCC1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001368874125 959214495 /nfs/dbraw/zinc/21/44/95/959214495.db2.gz WWXMEJDWDNXMDE-KGLIPLIRSA-N 2 0 299.459 1.238 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(C)C ZINC001495109522 972410726 /nfs/dbraw/zinc/41/07/26/972410726.db2.gz VKCJVJFDIQKIKC-OLZOCXBDSA-N 2 0 255.406 1.079 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CCF ZINC001371205394 972416963 /nfs/dbraw/zinc/41/69/63/972416963.db2.gz SSCIBBALFRAKJR-TZMCWYRMSA-N 2 0 285.407 1.457 10 0 CDAERP CCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001368957724 959328837 /nfs/dbraw/zinc/32/88/37/959328837.db2.gz CEWIDJCONLVKIG-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001369201305 959528013 /nfs/dbraw/zinc/52/80/13/959528013.db2.gz HRGAYXCXISXCCV-FVQBIDKESA-N 2 0 295.471 1.809 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC1CCC1 ZINC001369260649 959586980 /nfs/dbraw/zinc/58/69/80/959586980.db2.gz PGBANNGROZCMKL-DZGCQCFKSA-N 2 0 281.444 1.707 10 0 CDAERP Cc1ncccc1C[NH2+]C/C=C\CNC(=O)CC[NH+](C)C ZINC001321220267 959660409 /nfs/dbraw/zinc/66/04/09/959660409.db2.gz BGCAAUZUBSCURB-PLNGDYQASA-N 2 0 290.411 1.104 10 0 CDAERP CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001321662368 959894824 /nfs/dbraw/zinc/89/48/24/959894824.db2.gz HHPOBDRUIDNYFC-OLZOCXBDSA-N 2 0 255.406 1.364 10 0 CDAERP COCC[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001322088715 960079608 /nfs/dbraw/zinc/07/96/08/960079608.db2.gz LYMZSBWDVGWZEE-LSDHHAIUSA-N 2 0 299.459 1.238 10 0 CDAERP CC[N@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001322219518 960137628 /nfs/dbraw/zinc/13/76/28/960137628.db2.gz WNWASONJRQLMQX-LBPRGKRZSA-N 2 0 255.406 1.317 10 0 CDAERP CCC(CC)C[NH2+][C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001371363112 972490101 /nfs/dbraw/zinc/49/01/01/972490101.db2.gz KVAGXBYEPVFZRG-ZIAGYGMSSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@@H](C[NH2+]C/C=C\Cl)C2CC2)C1 ZINC001323065655 960430842 /nfs/dbraw/zinc/43/08/42/960430842.db2.gz UWIOGRVIEZIDFB-IIQFCBPVSA-N 2 0 299.846 1.565 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001418631850 960826286 /nfs/dbraw/zinc/82/62/86/960826286.db2.gz CSNDTGVRIIBMQX-AWEZNQCLSA-N 2 0 297.443 1.086 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001418656779 960859175 /nfs/dbraw/zinc/85/91/75/960859175.db2.gz IOGMMHVVVGGFCU-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP CCCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001418866158 961109847 /nfs/dbraw/zinc/10/98/47/961109847.db2.gz JQPNYKBRNGLAQD-CABCVRRESA-N 2 0 281.444 1.802 10 0 CDAERP CC[C@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)[NH2+]CCF ZINC001419268015 961567257 /nfs/dbraw/zinc/56/72/57/961567257.db2.gz GTHIESRDOWFCRC-KGLIPLIRSA-N 2 0 287.423 1.561 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC001419419967 961680725 /nfs/dbraw/zinc/68/07/25/961680725.db2.gz UOSPDVXLDBQULD-YIDVYQOGSA-N 2 0 293.455 1.611 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001436481943 962280259 /nfs/dbraw/zinc/28/02/59/962280259.db2.gz QGSDQWVOPORCSI-MCIONIFRSA-N 2 0 299.434 1.655 10 0 CDAERP C[N@@H+]1C[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C(C)(C)C1 ZINC001420015779 962375140 /nfs/dbraw/zinc/37/51/40/962375140.db2.gz OQAKIKPCAYXZKN-WBMJQRKESA-N 2 0 299.434 1.655 10 0 CDAERP CC[N@H+](CCNC(=O)C[NH+]1CCCC1)C[C@H]1CC[C@@H](C)O1 ZINC001437649067 963092172 /nfs/dbraw/zinc/09/21/72/963092172.db2.gz WUKBVCFUXVTJEN-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001420688155 963182071 /nfs/dbraw/zinc/18/20/71/963182071.db2.gz YLYFKAXJWSJBLH-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001420851720 963303681 /nfs/dbraw/zinc/30/36/81/963303681.db2.gz JTELRCHXNAXMIE-CABCVRRESA-N 2 0 281.444 1.707 10 0 CDAERP CC1CC(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC[NH+](C)C)C1 ZINC001438174293 963352729 /nfs/dbraw/zinc/35/27/29/963352729.db2.gz LVDJMXJDAWGEMV-WUCCLRPBSA-N 2 0 279.428 1.269 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH+](C)CCF)C1 ZINC001420936694 963369710 /nfs/dbraw/zinc/36/97/10/963369710.db2.gz HREVBUWRNPODFD-HUUCEWRRSA-N 2 0 299.434 1.609 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)CC[NH+](C)Cc1ccsc1 ZINC001438924260 963602275 /nfs/dbraw/zinc/60/22/75/963602275.db2.gz BWHNDCWJIVFFDH-UHFFFAOYSA-N 2 0 297.468 1.980 10 0 CDAERP CC(C)CC[N@H+](C)CCN(C)C(=O)C[NH+](C)C(C)C ZINC001438936179 963607478 /nfs/dbraw/zinc/60/74/78/963607478.db2.gz FGQXGCGRBLRRAA-UHFFFAOYSA-N 2 0 271.449 1.763 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001439146077 963654997 /nfs/dbraw/zinc/65/49/97/963654997.db2.gz ZQVZAOMBYFTWBR-ZOBORPQBSA-N 2 0 287.423 1.559 10 0 CDAERP Cc1cccc(C[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C(C)C)c1 ZINC001439283858 963699094 /nfs/dbraw/zinc/69/90/94/963699094.db2.gz GGZOKAHIODCEGF-HNNXBMFYSA-N 2 0 291.439 1.930 10 0 CDAERP C[C@@H](C[N@H+](C)CCCF)NC(=O)[C@H]1CCCC[NH+]1C ZINC001439339503 963728853 /nfs/dbraw/zinc/72/88/53/963728853.db2.gz KHHUDILNRASFLU-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP CC[N@H+](CCOC)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001439697125 963839087 /nfs/dbraw/zinc/83/90/87/963839087.db2.gz VWDCAVRYJCJIPD-UHFFFAOYSA-N 2 0 299.459 1.288 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001439813017 963867581 /nfs/dbraw/zinc/86/75/81/963867581.db2.gz LPJBPXLJTKHVBJ-DZGCQCFKSA-N 2 0 281.444 1.613 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(C)C)C1 ZINC001440408419 964021662 /nfs/dbraw/zinc/02/16/62/964021662.db2.gz FJRAJRPBDRURGS-LSDHHAIUSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)[C@H](C)[NH2+]CCO ZINC001440799402 964188875 /nfs/dbraw/zinc/18/88/75/964188875.db2.gz BWGUDQQPYGEABP-QWHCGFSZSA-N 2 0 299.459 1.115 10 0 CDAERP C[C@@H](F)CC[N@H+](C)[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001440999821 964321027 /nfs/dbraw/zinc/32/10/27/964321027.db2.gz KCAIJFOITOLAPT-OLZOCXBDSA-N 2 0 285.407 1.267 10 0 CDAERP CCC[NH2+][C@@H](CCN(C)C(=O)C[NH+]1CCCC1)C(C)C ZINC001441089351 964356282 /nfs/dbraw/zinc/35/62/82/964356282.db2.gz GLUYKDMWLDJCBH-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]([NH2+]CCC2CC2)C2CC2)C1 ZINC001441258407 964438331 /nfs/dbraw/zinc/43/83/31/964438331.db2.gz SKCACYIUTZZBIL-CABCVRRESA-N 2 0 279.428 1.223 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@]2(C)C[NH+](CCF)C[C@]2(C)C1 ZINC001441339613 964467028 /nfs/dbraw/zinc/46/70/28/964467028.db2.gz VFHPUYWUIDGPGR-IYBDPMFKSA-N 2 0 299.434 1.468 10 0 CDAERP O=C(CC[N@H+]1CC[C@H](F)C1)NCC[NH+]1CCCCC1 ZINC001441346112 964469817 /nfs/dbraw/zinc/46/98/17/964469817.db2.gz HGSHBIUYKUZEMR-ZDUSSCGKSA-N 2 0 271.380 1.022 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001441368836 964479473 /nfs/dbraw/zinc/47/94/73/964479473.db2.gz YYZRXDXJIZUGFE-KBUPBQIOSA-N 2 0 299.434 1.561 10 0 CDAERP C[C@@H](F)CC[NH2+][C@@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001441493697 964549077 /nfs/dbraw/zinc/54/90/77/964549077.db2.gz CTODOILXDRAIAZ-FQKPHLNHSA-N 2 0 299.434 1.702 10 0 CDAERP Cc1ncc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C)s1 ZINC001441790472 964714604 /nfs/dbraw/zinc/71/46/04/964714604.db2.gz RMZOFMWEIREXMM-GWCFXTLKSA-N 2 0 296.440 1.140 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]C/C=C/Cl)C[C@@H]1C ZINC001441835792 964739886 /nfs/dbraw/zinc/73/98/86/964739886.db2.gz NJYNOZQOLIHHML-JQSFKPKSSA-N 2 0 287.835 1.658 10 0 CDAERP CC(C)CC[NH2+][C@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001441974702 964815018 /nfs/dbraw/zinc/81/50/18/964815018.db2.gz AQVLGLAWQWESLO-CQSZACIVSA-N 2 0 299.459 1.238 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccsc1 ZINC001442048786 964843740 /nfs/dbraw/zinc/84/37/40/964843740.db2.gz KKYBXIDUHRCKHG-YPMHNXCESA-N 2 0 281.425 1.294 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+](CC)CC2CCC2)CC[N@@H+]1C ZINC001442651901 965164484 /nfs/dbraw/zinc/16/44/84/965164484.db2.gz LBPOKBPIGONSMJ-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](C(=O)N1CC[N@H+](C2CCCC2)[C@@H](C)C1)[NH+](C)C ZINC001347813116 965708413 /nfs/dbraw/zinc/70/84/13/965708413.db2.gz FPSHSHPPWXSJGD-QWHCGFSZSA-N 2 0 267.417 1.412 10 0 CDAERP CC[NH+](CC)CC[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001348341209 965942970 /nfs/dbraw/zinc/94/29/70/965942970.db2.gz ZZJQGGVUSVPACA-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@@H]1C[C@H](C[N@H+](C)CCN(C)C(=O)CC[NH+](C)C)CCO1 ZINC001445024932 966064064 /nfs/dbraw/zinc/06/40/64/966064064.db2.gz GBLQQJRAUNHFHG-HUUCEWRRSA-N 2 0 299.459 1.143 10 0 CDAERP CC(C)(C)CC[N@@H+]1CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001446133267 966459976 /nfs/dbraw/zinc/45/99/76/966459976.db2.gz ZZYJERBBCQMACA-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP CC[NH+](CC)CC(=O)NCC[N@@H+](CC)CCC(F)(F)F ZINC001447636482 966838583 /nfs/dbraw/zinc/83/85/83/966838583.db2.gz XREYIIXQZZEUAX-UHFFFAOYSA-N 2 0 297.365 1.719 10 0 CDAERP C[N@H+](C/C=C/Cl)C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001447767381 966867393 /nfs/dbraw/zinc/86/73/93/966867393.db2.gz IJYZNTHYMCWXOO-DYLGSBMWSA-N 2 0 299.846 1.758 10 0 CDAERP CC(C)CC[NH2+][C@H](C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001447930453 966930013 /nfs/dbraw/zinc/93/00/13/966930013.db2.gz NAIFSSHUPBSHAA-KGLIPLIRSA-N 2 0 281.444 1.611 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001448516013 967138227 /nfs/dbraw/zinc/13/82/27/967138227.db2.gz ILQGPNHZPYVEEX-IHRRRGAJSA-N 2 0 285.407 1.315 10 0 CDAERP C[C@H](CN(C)C(=O)C12CCC[NH+]1CCC2)[NH2+]CC[C@H](C)F ZINC001448707968 967217250 /nfs/dbraw/zinc/21/72/50/967217250.db2.gz NRCWRUFBALCRQR-UONOGXRCSA-N 2 0 299.434 1.799 10 0 CDAERP CC[C@@H](C(=O)N[C@@]12CCC[C@@H]1[N@H+](CC1CC1)CC2)[NH+](C)C ZINC001449016572 967335530 /nfs/dbraw/zinc/33/55/30/967335530.db2.gz SCBPAWDOKOHDBD-YQQAZPJKSA-N 2 0 293.455 1.850 10 0 CDAERP CCc1cccc(C[NH2+][C@H](C)CNC(=O)CC[NH+](C)C)c1 ZINC001480530760 968116782 /nfs/dbraw/zinc/11/67/82/968116782.db2.gz NIXODKZFVNDYNZ-CQSZACIVSA-N 2 0 291.439 1.795 10 0 CDAERP C[N@@H+]1C[C@]23C[NH+](C[C@@H]4COCCO4)C[C@@]2(C1)CCCC3 ZINC001460973586 969578992 /nfs/dbraw/zinc/57/89/92/969578992.db2.gz LDUOWYZSARBKSZ-OAGGEKHMSA-N 2 0 280.412 1.210 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H](C)CC[NH+](C)C ZINC001464880103 969829421 /nfs/dbraw/zinc/82/94/21/969829421.db2.gz HYVXNAFFUDDPQQ-STQMWFEESA-N 2 0 257.422 1.421 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)NCC2CC[NH+](C)CC2)CC1 ZINC001361715784 970453097 /nfs/dbraw/zinc/45/30/97/970453097.db2.gz DXWRBALHCRTFCP-UHFFFAOYSA-N 2 0 295.471 1.812 10 0 CDAERP C[N@H+](CC(=O)Nc1ccc2c[nH+]cn2c1)C1CCC1 ZINC001472135109 970588385 /nfs/dbraw/zinc/58/83/85/970588385.db2.gz QEJORZGIMNMBMN-UHFFFAOYSA-N 2 0 258.325 1.757 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001495728886 972611641 /nfs/dbraw/zinc/61/16/41/972611641.db2.gz GHGPUICACPSVFW-ILXRZTDVSA-N 2 0 283.460 1.715 10 0 CDAERP CCCC[NH2+]C[C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001495744942 972619549 /nfs/dbraw/zinc/61/95/49/972619549.db2.gz ZSOGGMYPBTVQBL-KBPBESRZSA-N 2 0 269.433 1.470 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001371765956 972622675 /nfs/dbraw/zinc/62/26/75/972622675.db2.gz XCCZRGCUJAUKGH-LSDHHAIUSA-N 2 0 283.460 2.000 10 0 CDAERP CCc1ccccc1C[N@H+](C)CCNC(=O)CC[NH+](C)C ZINC001372163543 972821795 /nfs/dbraw/zinc/82/17/95/972821795.db2.gz XYBADNBUWBPMRA-UHFFFAOYSA-N 2 0 291.439 1.749 10 0 CDAERP CC(C)[C@H](C(=O)NCC[N@H+](C)CC[C@@H](C)F)[NH+](C)C ZINC001372192297 972843269 /nfs/dbraw/zinc/84/32/69/972843269.db2.gz XNPVROQGWKLBFF-CHWSQXEVSA-N 2 0 275.412 1.369 10 0 CDAERP CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001496294121 972875261 /nfs/dbraw/zinc/87/52/61/972875261.db2.gz GLRLLDLITXEJFI-CHWSQXEVSA-N 2 0 255.406 1.079 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1CC[NH2+]C[C@H](C)O ZINC001496418930 972917376 /nfs/dbraw/zinc/91/73/76/972917376.db2.gz LSNQPSJNACXTQS-LSDHHAIUSA-N 2 0 299.459 1.070 10 0 CDAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H](C)CC[NH+](C)C)C1 ZINC001417600387 973184964 /nfs/dbraw/zinc/18/49/64/973184964.db2.gz MAODNBRDGCHINZ-LSDHHAIUSA-N 2 0 299.459 1.047 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC001417683098 973279952 /nfs/dbraw/zinc/27/99/52/973279952.db2.gz HNGWDEJZCCJUSR-CQSZACIVSA-N 2 0 281.444 1.661 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)CC[N@@H+]1CC ZINC001417825202 973404132 /nfs/dbraw/zinc/40/41/32/973404132.db2.gz YNDAELSGGNQUSN-HZSPNIEDSA-N 2 0 287.423 1.655 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC/C=C/C[NH2+]CC1CCC1 ZINC001497764661 973489432 /nfs/dbraw/zinc/48/94/32/973489432.db2.gz QAETWFPKLTWVPR-LRPXVYOUSA-N 2 0 293.455 1.921 10 0 CDAERP C[C@H](C[NH2+]C/C=C/Cl)NC(=O)C1([NH+](C)C)CCC1 ZINC001497828001 973542659 /nfs/dbraw/zinc/54/26/59/973542659.db2.gz RILLVFNHNPZPEL-AYLMVEPYSA-N 2 0 273.808 1.318 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001418078630 973569876 /nfs/dbraw/zinc/56/98/76/973569876.db2.gz XAAPCHFKAIBKRQ-TUVASFSCSA-N 2 0 299.434 1.846 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001373965441 973704566 /nfs/dbraw/zinc/70/45/66/973704566.db2.gz FHDQZAWJHOIMNE-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP CC[C@@H](F)C[NH2+][C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001418270221 973712364 /nfs/dbraw/zinc/71/23/64/973712364.db2.gz UBJZELUHRMZZJM-WCQYABFASA-N 2 0 273.396 1.171 10 0 CDAERP CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1nocc1C)[NH+](C)C ZINC001418428054 973818653 /nfs/dbraw/zinc/81/86/53/973818653.db2.gz UHBJWQBOIONVCB-OCCSQVGLSA-N 2 0 296.415 1.308 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001418473890 973876856 /nfs/dbraw/zinc/87/68/56/973876856.db2.gz HUWRTISNDZOZAJ-HNNXBMFYSA-N 2 0 295.471 1.957 10 0 CDAERP CC[C@H](C)C[N@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001498391519 973880641 /nfs/dbraw/zinc/88/06/41/973880641.db2.gz AFTCAGPSZDYLAF-STQMWFEESA-N 2 0 257.422 1.421 10 0 CDAERP CC(C)C[N@H+](C)CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001418507022 973910455 /nfs/dbraw/zinc/91/04/55/973910455.db2.gz UDDZGAFOOKTIIE-LSDHHAIUSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]C(C)C)C1CC1 ZINC001498785304 974061007 /nfs/dbraw/zinc/06/10/07/974061007.db2.gz XKCKXBIJZIFBKT-CVEARBPZSA-N 2 0 295.471 2.000 10 0 CDAERP C[C@H](C[NH2+]Cc1cncs1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001374809033 974132488 /nfs/dbraw/zinc/13/24/88/974132488.db2.gz ZTBKKTPXASBHLP-LLVKDONJSA-N 2 0 296.440 1.079 10 0 CDAERP C[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2CCCCCF)CC1 ZINC001499051845 974173429 /nfs/dbraw/zinc/17/34/29/974173429.db2.gz YBUWVBWSWWTUDA-OAHLLOKOSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC[C@@H](C)F)CC1 ZINC001499225515 974218522 /nfs/dbraw/zinc/21/85/22/974218522.db2.gz DOIBPXFFVYXTQG-KGLIPLIRSA-N 2 0 299.434 1.846 10 0 CDAERP C[C@H](CN(C)C/C=C\Cl)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001375036449 974235132 /nfs/dbraw/zinc/23/51/32/974235132.db2.gz INVARBWEDDYIJM-GUQLZWLHSA-N 2 0 299.846 1.517 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001499512094 974262019 /nfs/dbraw/zinc/26/20/19/974262019.db2.gz ZXEUQZWGRROCSS-KFWWJZLASA-N 2 0 299.434 1.752 10 0 CDAERP CC1CCC(C[NH+]2CC(N(C)C(=O)CC[NH+](C)C)C2)CC1 ZINC001499742980 974296438 /nfs/dbraw/zinc/29/64/38/974296438.db2.gz ZTBMCGDFEPIGIB-UHFFFAOYSA-N 2 0 295.471 1.907 10 0 CDAERP CC(C)C[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001376448597 974664975 /nfs/dbraw/zinc/66/49/75/974664975.db2.gz VUUGMTAJOYVKBI-JONQDZQNSA-N 2 0 295.471 2.000 10 0 CDAERP COCCC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001502346228 974722380 /nfs/dbraw/zinc/72/23/80/974722380.db2.gz QPZJPYZEKWIEDR-HNNXBMFYSA-N 2 0 299.459 1.288 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001376706953 974735295 /nfs/dbraw/zinc/73/52/95/974735295.db2.gz MVPLTXYXMCYAOB-HUUCEWRRSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@@H](C[NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1)OC ZINC001376780403 974764957 /nfs/dbraw/zinc/76/49/57/974764957.db2.gz AVKPMTJKIYNCFT-KBPBESRZSA-N 2 0 299.459 1.380 10 0 CDAERP C[C@@H](F)CC[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001376985539 974838280 /nfs/dbraw/zinc/83/82/80/974838280.db2.gz ZILUNSIEQLPWPP-ZIAGYGMSSA-N 2 0 287.423 1.609 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001505410691 974863700 /nfs/dbraw/zinc/86/37/00/974863700.db2.gz PKDPDWXUXBQNDK-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP CC1CC[NH+](CC(=O)NCC[N@H+](C)CC2CCCC2)CC1 ZINC001377235576 974938433 /nfs/dbraw/zinc/93/84/33/974938433.db2.gz FMWIVNOXWYDOTK-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CC[N@H+](C)CCC(=O)NCC[NH+](C)Cc1ccsc1 ZINC001377240887 974942888 /nfs/dbraw/zinc/94/28/88/974942888.db2.gz ULNWGFKZLZUHQY-UHFFFAOYSA-N 2 0 283.441 1.638 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)C[C@H]1CC(C)(C)CO1 ZINC001377274680 974953326 /nfs/dbraw/zinc/95/33/26/974953326.db2.gz OLPNGISEUMGBMD-CQSZACIVSA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@@H](CNC(=O)Cn2cncc2C)C1 ZINC001377445983 975029383 /nfs/dbraw/zinc/02/93/83/975029383.db2.gz OTKUIXFIKYWPKU-HIFRSBDPSA-N 2 0 292.427 1.676 10 0 CDAERP CO[C@H](C)C[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)C(C)C ZINC001377669939 975107266 /nfs/dbraw/zinc/10/72/66/975107266.db2.gz DHFCLOHLPSPHJP-CABCVRRESA-N 2 0 299.459 1.284 10 0 CDAERP CC(C)C[C@H](C)C[NH+]1CC(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001377949720 975182792 /nfs/dbraw/zinc/18/27/92/975182792.db2.gz CEYNZKUSMBIUFM-AWEZNQCLSA-N 2 0 283.460 1.809 10 0 CDAERP C[C@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C1C[NH+](CCCF)C1 ZINC001506631138 975193004 /nfs/dbraw/zinc/19/30/04/975193004.db2.gz QBVIONXQPKXWGK-DZGCQCFKSA-N 2 0 299.434 1.657 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)[C@H]1CC[NH+](CC[C@H](C)F)C1 ZINC001378193844 975279504 /nfs/dbraw/zinc/27/95/04/975279504.db2.gz VUFUHCNPXKGOSC-KBPBESRZSA-N 2 0 287.423 1.609 10 0 CDAERP CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]CC1CCOCC1 ZINC001378338305 975332422 /nfs/dbraw/zinc/33/24/22/975332422.db2.gz JRKYVCWESQDFBW-HNNXBMFYSA-N 2 0 299.459 1.238 10 0 CDAERP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]Cc1ccns1 ZINC001378640369 975423203 /nfs/dbraw/zinc/42/32/03/975423203.db2.gz HAEACBMPBRXFMB-LBPRGKRZSA-N 2 0 296.440 1.081 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@]12CCC[C@@H]1[N@H+](CCCF)CC2 ZINC001507347077 975426879 /nfs/dbraw/zinc/42/68/79/975426879.db2.gz GKEWPJTZRQAQSN-HOCLYGCPSA-N 2 0 299.434 1.801 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)C[C@@H]1CC[NH+]1CC[C@@H](C)F ZINC001397040383 975446231 /nfs/dbraw/zinc/44/62/31/975446231.db2.gz GWNXUOABFINQPD-KGLIPLIRSA-N 2 0 287.423 1.609 10 0 CDAERP CC(C)[NH+](C)CC(=O)NC[C@@H]1[C@H]2C[N@H+](CC[C@@H](C)F)C[C@H]21 ZINC001378756505 975479833 /nfs/dbraw/zinc/47/98/33/975479833.db2.gz SKBFKYAZENXFLV-TUVASFSCSA-N 2 0 299.434 1.369 10 0 CDAERP CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1cccnc1)[NH+](C)C ZINC001401233951 975533665 /nfs/dbraw/zinc/53/36/65/975533665.db2.gz VIOIRRNRMAMORI-UKRRQHHQSA-N 2 0 292.427 1.358 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1cccnc1 ZINC001401267791 975556588 /nfs/dbraw/zinc/55/65/88/975556588.db2.gz VXVSDVXHANJLMQ-AWEZNQCLSA-N 2 0 292.427 1.358 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C[NH2+]CC)C1CC1 ZINC001379020517 975600526 /nfs/dbraw/zinc/60/05/26/975600526.db2.gz KZJKSXLYPSMXGV-CABCVRRESA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1CC[N@H+](CC[C@@H](C)F)C1)[NH+](C)C ZINC001405064238 975612343 /nfs/dbraw/zinc/61/23/43/975612343.db2.gz BBFOZXIKVXLMDH-JHJVBQTASA-N 2 0 273.396 1.265 10 0 CDAERP CCCC[N@H+](C)CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001379037831 975613652 /nfs/dbraw/zinc/61/36/52/975613652.db2.gz DYASZKBKIJSGGM-HNNXBMFYSA-N 2 0 281.444 1.519 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC1CCCC1 ZINC001379113676 975673934 /nfs/dbraw/zinc/67/39/34/975673934.db2.gz ZNKNKVLMWIFLJW-ZFWWWQNUSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1ccsc1 ZINC001379225007 975720866 /nfs/dbraw/zinc/72/08/66/975720866.db2.gz PSFDTEUZPYYQLC-LBPRGKRZSA-N 2 0 283.441 1.636 10 0 CDAERP C[C@@H](C[N@H+](C)CCCF)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001401773285 975893575 /nfs/dbraw/zinc/89/35/75/975893575.db2.gz CFOKWRXMNXYJJY-STQMWFEESA-N 2 0 273.396 1.124 10 0 CDAERP CCC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001389598985 975924387 /nfs/dbraw/zinc/92/43/87/975924387.db2.gz AQDRSBRLBRWQLA-LSDHHAIUSA-N 2 0 281.444 1.754 10 0 CDAERP COC[C@H](C)[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001379626808 975967041 /nfs/dbraw/zinc/96/70/41/975967041.db2.gz LYPXJIMYIGWDIB-OFQRWUPVSA-N 2 0 297.443 1.086 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]([NH2+]C/C=C\Cl)C1CC1 ZINC001398434226 975982344 /nfs/dbraw/zinc/98/23/44/975982344.db2.gz JBHSYKIVNCDJTD-AUXFESMGSA-N 2 0 273.808 1.175 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]([NH2+]CC2CCCC2)C2CC2)C1 ZINC001398456844 975993795 /nfs/dbraw/zinc/99/37/95/975993795.db2.gz NGMKAGWQDLDBBR-CVEARBPZSA-N 2 0 293.455 1.613 10 0 CDAERP CN(C(=O)CC[NH+](C)C)C1C[NH+](CC2CCCCC2)C1 ZINC001402021037 976082916 /nfs/dbraw/zinc/08/29/16/976082916.db2.gz JTOFGXCCQJEZRP-UHFFFAOYSA-N 2 0 281.444 1.661 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCC[NH+](CCCF)C2)C1 ZINC001398688657 976106377 /nfs/dbraw/zinc/10/63/77/976106377.db2.gz LJMUEOVYYSBGCK-HUUCEWRRSA-N 2 0 299.434 1.516 10 0 CDAERP CCCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001390065955 976110516 /nfs/dbraw/zinc/11/05/16/976110516.db2.gz QHLADQUBXHWRCX-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@]1(CNC(=O)C23CC[NH+](CC2)C3)CCC[N@H+](CCF)C1 ZINC001402233517 976192445 /nfs/dbraw/zinc/19/24/45/976192445.db2.gz QSNRKIBQPVZHGD-HNNXBMFYSA-N 2 0 297.418 1.270 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]CCF)C1CC1 ZINC001402337137 976243904 /nfs/dbraw/zinc/24/39/04/976243904.db2.gz HHFGAPYMKWABMO-HUUCEWRRSA-N 2 0 299.434 1.703 10 0 CDAERP C[C@@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)C12CC[NH+](CC1)C2 ZINC001406546223 976250660 /nfs/dbraw/zinc/25/06/60/976250660.db2.gz SPMKXCXWBWTALZ-ZDUSSCGKSA-N 2 0 293.455 1.613 10 0 CDAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccccc1 ZINC001390510266 976343106 /nfs/dbraw/zinc/34/31/06/976343106.db2.gz OQWGTNBENROQDA-AWEZNQCLSA-N 2 0 287.407 1.377 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001390551283 976364379 /nfs/dbraw/zinc/36/43/79/976364379.db2.gz LOLMGGXECOJYHF-STQMWFEESA-N 2 0 285.407 1.409 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC001399225580 976387968 /nfs/dbraw/zinc/38/79/68/976387968.db2.gz PYQJUKSYYJDHBI-GJZGRUSLSA-N 2 0 297.443 1.086 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCC2)C1)[NH+](C)C ZINC001402632715 976410882 /nfs/dbraw/zinc/41/08/82/976410882.db2.gz PTJVZIFBZPMBIZ-XHSDSOJGSA-N 2 0 295.471 2.000 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001406878048 976454310 /nfs/dbraw/zinc/45/43/10/976454310.db2.gz MQHNKWURUSKOND-INIZCTEOSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NCC[C@@H](C)[NH2+]CC1CCOCC1 ZINC001390735027 976468022 /nfs/dbraw/zinc/46/80/22/976468022.db2.gz RXWVGQINLPJXMX-CQSZACIVSA-N 2 0 299.459 1.238 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC2CC2)[C@@H](C)C1 ZINC001402818520 976497307 /nfs/dbraw/zinc/49/73/07/976497307.db2.gz UAGXCXGTLPFBIK-DZGCQCFKSA-N 2 0 281.444 1.706 10 0 CDAERP C[C@@H](F)CC[NH2+]C1(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001406996619 976510020 /nfs/dbraw/zinc/51/00/20/976510020.db2.gz WSMQZFANPVJUME-HIFRSBDPSA-N 2 0 297.418 1.459 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NCC1([NH2+]CC[C@H](C)F)CC1 ZINC001406999509 976510135 /nfs/dbraw/zinc/51/01/35/976510135.db2.gz AXVVKGQGLPIGST-LBPRGKRZSA-N 2 0 273.396 1.313 10 0 CDAERP C[C@@H](CNC(=O)CCC[NH+](C)C)[NH2+]CC1CC(C)(C)C1 ZINC001402988239 976647535 /nfs/dbraw/zinc/64/75/35/976647535.db2.gz WQYXEHWTLDGJAX-ZDUSSCGKSA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+]1CC[C@H](C)F ZINC001399903159 976734691 /nfs/dbraw/zinc/73/46/91/976734691.db2.gz VOVSASOJLGIFAK-KBPBESRZSA-N 2 0 287.423 1.655 10 0 CDAERP CC(C)C[N@H+](C)C[C@H]1CCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001381290936 976747311 /nfs/dbraw/zinc/74/73/11/976747311.db2.gz LTNQRLOZTGWSOT-JKSUJKDBSA-N 2 0 295.471 1.907 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)CCF)C1 ZINC001403329456 976883224 /nfs/dbraw/zinc/88/32/24/976883224.db2.gz UHKQBENUIWFMHD-CYBMUJFWSA-N 2 0 273.396 1.219 10 0 CDAERP CC[C@H](C)C[N@H+](C)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001381612204 976948339 /nfs/dbraw/zinc/94/83/39/976948339.db2.gz SDXFCQALXLZTLQ-UONOGXRCSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)[C@H](CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCF ZINC001381722101 976990826 /nfs/dbraw/zinc/99/08/26/976990826.db2.gz XYIRXIIMOXECPL-KGLIPLIRSA-N 2 0 287.423 1.370 10 0 CDAERP CCN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](CC[C@@H](C)F)C1 ZINC001391658723 977021848 /nfs/dbraw/zinc/02/18/48/977021848.db2.gz QTKJDKQTUXWEJP-CABCVRRESA-N 2 0 299.434 1.753 10 0 CDAERP CCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](CC[C@@H](C)F)C1 ZINC001391658742 977022438 /nfs/dbraw/zinc/02/24/38/977022438.db2.gz QTKJDKQTUXWEJP-HUUCEWRRSA-N 2 0 299.434 1.753 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001392121316 977227477 /nfs/dbraw/zinc/22/74/77/977227477.db2.gz KBDHPPPCWIVNDG-OLZOCXBDSA-N 2 0 285.407 1.267 10 0 CDAERP CC(C)CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC001382281058 977235558 /nfs/dbraw/zinc/23/55/58/977235558.db2.gz DRXKJWYEXCFZKV-GDBMZVCRSA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]C[C@H]1CCCOC1 ZINC001400931703 977248306 /nfs/dbraw/zinc/24/83/06/977248306.db2.gz ZBTQWILFVGXYEW-HUUCEWRRSA-N 2 0 299.459 1.238 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@]12CCC[C@@H]1[NH+](CC1CC1)CC2 ZINC001382324525 977253108 /nfs/dbraw/zinc/25/31/08/977253108.db2.gz AULJBJVCCRUGMG-DOTOQJQBSA-N 2 0 293.455 1.851 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]Cc1nccs1)C1CC1 ZINC001392786512 977596270 /nfs/dbraw/zinc/59/62/70/977596270.db2.gz ASWASGCTDNIPLF-GFCCVEGCSA-N 2 0 296.440 1.079 10 0 CDAERP CCC(CC)C[N@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001492816120 977641885 /nfs/dbraw/zinc/64/18/85/977641885.db2.gz AHOWTJMWHIDWCJ-HNNXBMFYSA-N 2 0 283.460 1.812 10 0 CDAERP CC(C)[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001393206458 977732482 /nfs/dbraw/zinc/73/24/82/977732482.db2.gz YZBWHHUZNRUOCA-BFYDXBDKSA-N 2 0 295.471 1.953 10 0 CDAERP C[NH+](C)CCC(=O)NCC1([NH2+]CC2CCCC2)CCC1 ZINC001393554043 977832876 /nfs/dbraw/zinc/83/28/76/977832876.db2.gz GJFJYQPFEQZYHL-UHFFFAOYSA-N 2 0 281.444 1.757 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)CCC(C)(C)C ZINC001394102585 978065749 /nfs/dbraw/zinc/06/57/49/978065749.db2.gz SUQLBTFDNJYNCZ-UONOGXRCSA-N 2 0 283.460 1.953 10 0 CDAERP CC[NH+]1CC([C@@H](C)NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001394247973 978116250 /nfs/dbraw/zinc/11/62/50/978116250.db2.gz LQRJJMMXEXFFNR-MLGOLLRUSA-N 2 0 299.434 1.655 10 0 CDAERP CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCC[NH+](C)C)C[C@H]2C1 ZINC001394349145 978137650 /nfs/dbraw/zinc/13/76/50/978137650.db2.gz MEDIOLMJOKJHFX-KKUMJFAQSA-N 2 0 281.444 1.565 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC([N@H+](C)CCC2CC2)CC1 ZINC001394395555 978149904 /nfs/dbraw/zinc/14/99/04/978149904.db2.gz ZYNYDDOSOPFUEP-UHFFFAOYSA-N 2 0 281.444 1.661 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)(C)C ZINC001394825686 978277834 /nfs/dbraw/zinc/27/78/34/978277834.db2.gz RZKSAUPRMFTMHV-MELADBBJSA-N 2 0 283.460 1.857 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC2(C[NH2+]CCF)CCCCC2)C1 ZINC001675201236 1174082070 /nfs/dbraw/zinc/08/20/70/1174082070.db2.gz GNHVSWOXKWPVOY-AWEZNQCLSA-N 2 0 299.434 1.706 10 0 CDAERP CC(C)[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001676368709 1174215752 /nfs/dbraw/zinc/21/57/52/1174215752.db2.gz JLJOZSOQCWRHCY-OLZOCXBDSA-N 2 0 255.406 1.316 10 0 CDAERP C[C@H]1C[NH2+]C[C@@H](NCc2ccc(C[NH3+])cc2F)C1 ZINC000650717243 398158711 /nfs/dbraw/zinc/15/87/11/398158711.db2.gz VOCQSEMRWPABTB-MFKMUULPSA-N 2 0 251.349 1.372 10 0 CDAERP COC[C@H](C)C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650708345 398151399 /nfs/dbraw/zinc/15/13/99/398151399.db2.gz YFMREHZXEDEODM-CBBWQLFWSA-N 2 0 270.417 1.487 10 0 CDAERP NC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000650743219 398172541 /nfs/dbraw/zinc/17/25/41/398172541.db2.gz OMZNCTWGWVDJOO-ZUWCUPBKSA-N 2 0 265.401 1.151 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)[C@H]([NH3+])CC2CCCCC2)C1 ZINC000388600300 398196569 /nfs/dbraw/zinc/19/65/69/398196569.db2.gz CYBRZRLQUGAQLT-UONOGXRCSA-N 2 0 267.417 1.495 10 0 CDAERP CCOC(=O)c1ncc(CN2CC[C@@H](C)[C@H](C[NH3+])C2)s1 ZINC000601326267 342553880 /nfs/dbraw/zinc/55/38/80/342553880.db2.gz SSCGWTXAYZPXKT-GHMZBOCLSA-N 2 0 297.424 1.737 10 0 CDAERP C[NH+](C)CCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000245656998 282104680 /nfs/dbraw/zinc/10/46/80/282104680.db2.gz DYTACVPVNFWIKT-LSDHHAIUSA-N 2 0 290.411 1.293 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)CC[N@@H+]1C ZINC000617009441 342605635 /nfs/dbraw/zinc/60/56/35/342605635.db2.gz ZDSVZKJAINFYAE-IHRRRGAJSA-N 2 0 281.444 1.706 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CCC([NH+](C)C)CC1 ZINC000591101321 342617996 /nfs/dbraw/zinc/61/79/96/342617996.db2.gz XDRQHVKEIDZCBH-UHFFFAOYSA-N 2 0 255.406 1.271 10 0 CDAERP COC(=O)CC1(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)CC1 ZINC000592478676 342699423 /nfs/dbraw/zinc/69/94/23/342699423.db2.gz HSPSDPRGKOMPSJ-KBPBESRZSA-N 2 0 280.412 1.794 10 0 CDAERP C[C@@H](CC1CCOCC1)[NH2+]CC1([NH3+])CCOCC1 ZINC000629387374 361899384 /nfs/dbraw/zinc/89/93/84/361899384.db2.gz FVCABMWYIBOCBI-LBPRGKRZSA-N 2 0 256.390 1.289 10 0 CDAERP [NH3+]C1(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CCOCC1 ZINC000629388612 361906312 /nfs/dbraw/zinc/90/63/12/361906312.db2.gz PYPVXCKWJMAQAX-CQSZACIVSA-N 2 0 280.799 1.905 10 0 CDAERP COc1ccc(C[NH2+]CCOCCC[NH3+])cc1OC ZINC000629398880 361918897 /nfs/dbraw/zinc/91/88/97/361918897.db2.gz ZWWSMAFHMCYVAO-UHFFFAOYSA-N 2 0 268.357 1.159 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000629399020 361921178 /nfs/dbraw/zinc/92/11/78/361921178.db2.gz ANJKRUPXSLFCJH-CQSZACIVSA-N 2 0 268.788 1.762 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CC2(CC(=O)OC)CC2)[C@@H](C)C1 ZINC000440774921 361921352 /nfs/dbraw/zinc/92/13/52/361921352.db2.gz ZTKASGIEXXLTFA-KBPBESRZSA-N 2 0 282.428 1.992 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1cnc(C2CCC2)s1 ZINC000629399935 361937181 /nfs/dbraw/zinc/93/71/81/361937181.db2.gz MOLSIANQSDFAAR-UHFFFAOYSA-N 2 0 269.414 1.866 10 0 CDAERP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CCOCCC[NH3+] ZINC000629400326 361938015 /nfs/dbraw/zinc/93/80/15/361938015.db2.gz UGDKURXVBPBLOU-DOTOQJQBSA-N 2 0 291.439 1.462 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)CC[C@H](C)[NH3+] ZINC000248840020 361969108 /nfs/dbraw/zinc/96/91/08/361969108.db2.gz FKUHLDCGDUKPEK-QWHCGFSZSA-N 2 0 255.406 1.495 10 0 CDAERP C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1c1ccccc1 ZINC000534017044 282161702 /nfs/dbraw/zinc/16/17/02/282161702.db2.gz COEOGYZGDFELPD-ARFHVFGLSA-N 2 0 287.407 1.500 10 0 CDAERP CCC[C@@H](C[NH3+])[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000669377077 539072007 /nfs/dbraw/zinc/07/20/07/539072007.db2.gz FXHCWNLENRIMKJ-HOTGVXAUSA-N 2 0 262.397 1.998 10 0 CDAERP CCC(=O)N1CC[NH+](C2CCC(C)([NH3+])CC2)CC1 ZINC000220501257 342237642 /nfs/dbraw/zinc/23/76/42/342237642.db2.gz YKOMFMMNZNCEJS-UHFFFAOYSA-N 2 0 253.390 1.201 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCOCCC[NH3+])C[C@H]1C ZINC000600681146 342242365 /nfs/dbraw/zinc/24/23/65/342242365.db2.gz XNOQUGLGMTXHAO-MGPQQGTHSA-N 2 0 286.416 1.309 10 0 CDAERP Cc1noc([C@H]2CN(CCc3cncn3C)C[C@@H](C)O2)n1 ZINC000625912991 342277596 /nfs/dbraw/zinc/27/75/96/342277596.db2.gz PELXJPXQAWYXDY-ZWNOBZJWSA-N 2 0 291.355 1.116 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](C)C1 ZINC000594693173 342942847 /nfs/dbraw/zinc/94/28/47/342942847.db2.gz MZQRDFSTJHQENV-UONOGXRCSA-N 2 0 267.417 1.319 10 0 CDAERP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000594945042 342980255 /nfs/dbraw/zinc/98/02/55/342980255.db2.gz LRGSMEMUITVUMK-HZSPNIEDSA-N 2 0 282.428 1.896 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@H](C)[C@H]2C[C@@H]2C(=O)OC)CC1 ZINC000594919298 342986287 /nfs/dbraw/zinc/98/62/87/342986287.db2.gz HPXICZYNBIMBFY-YUELXQCFSA-N 2 0 282.428 1.896 10 0 CDAERP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000594921861 342987413 /nfs/dbraw/zinc/98/74/13/342987413.db2.gz UTPQRXOYNPFZDI-SOUVJXGZSA-N 2 0 282.428 1.896 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)CSCCF)CC1 ZINC000595006199 342989356 /nfs/dbraw/zinc/98/93/56/342989356.db2.gz GYYHPYOIBPABFF-UONOGXRCSA-N 2 0 291.480 1.693 10 0 CDAERP CCC[C@@H](C)CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000629511953 362122304 /nfs/dbraw/zinc/12/23/04/362122304.db2.gz NYGUNRFPKFXPTO-HUUCEWRRSA-N 2 0 283.460 1.990 10 0 CDAERP COC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595900157 343186838 /nfs/dbraw/zinc/18/68/38/343186838.db2.gz ABHAJYXPUHLQGB-DGCLKSJQSA-N 2 0 254.374 1.260 10 0 CDAERP CC(C)[NH2+]CCC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000645104892 362118543 /nfs/dbraw/zinc/11/85/43/362118543.db2.gz TZLMWOCSZLRERO-ZIAGYGMSSA-N 2 0 267.417 1.365 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)o1 ZINC000645104589 362118700 /nfs/dbraw/zinc/11/87/00/362118700.db2.gz PCOPPPFXMCKOFT-YPMHNXCESA-N 2 0 277.368 1.343 10 0 CDAERP O=C(c1ccc2c(c1)C[NH2+]C2)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645104932 362118722 /nfs/dbraw/zinc/11/87/22/362118722.db2.gz CWOCFCYPYLIKFH-WBVHZDCISA-N 2 0 299.418 1.894 10 0 CDAERP C[NH2+]CCC1CC[NH+](CCOC2CCOCC2)CC1 ZINC000629521937 362141128 /nfs/dbraw/zinc/14/11/28/362141128.db2.gz YPJKEZXNLPGDLA-UHFFFAOYSA-N 2 0 270.417 1.504 10 0 CDAERP [NH3+]C1(C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)CCOCC1 ZINC000629523710 362140090 /nfs/dbraw/zinc/14/00/90/362140090.db2.gz IFZWUZCITRDQKO-RBSFLKMASA-N 2 0 282.428 1.679 10 0 CDAERP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC[C@@H]([NH3+])C(C)C)[C@@H]1C ZINC000596655732 343364115 /nfs/dbraw/zinc/36/41/15/343364115.db2.gz YBFWWQXRHPOJRO-XJFOESAGSA-N 2 0 270.417 1.927 10 0 CDAERP FC1(F)CC[C@@H](C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000311699873 362174342 /nfs/dbraw/zinc/17/43/42/362174342.db2.gz QDAZSPYSYURATH-CHWSQXEVSA-N 2 0 273.371 1.401 10 0 CDAERP C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1CCCC1 ZINC000142856459 342434519 /nfs/dbraw/zinc/43/45/19/342434519.db2.gz WLPFKPYFSXXUGI-UHFFFAOYSA-N 2 0 279.428 1.604 10 0 CDAERP COC(=O)C(C)(C)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000598970113 343931562 /nfs/dbraw/zinc/93/15/62/343931562.db2.gz XUFDDDQAZHIZIZ-NSHDSACASA-N 2 0 256.390 1.648 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000257732472 344382670 /nfs/dbraw/zinc/38/26/70/344382670.db2.gz VFURBSHQORDKLL-KGLIPLIRSA-N 2 0 267.417 1.367 10 0 CDAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)CC[C@@H]21 ZINC000635701028 362388970 /nfs/dbraw/zinc/38/89/70/362388970.db2.gz SHJZMHVDLIXNJZ-BHPKHCPMSA-N 2 0 288.395 1.456 10 0 CDAERP C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000263262322 362405965 /nfs/dbraw/zinc/40/59/65/362405965.db2.gz RDZOCGPPYZMIKC-YDHLFZDLSA-N 2 0 265.401 1.201 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000262680762 344691645 /nfs/dbraw/zinc/69/16/45/344691645.db2.gz WVKBSQIYFICXLQ-LJISPDSOSA-N 2 0 281.444 1.598 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000262276772 344697266 /nfs/dbraw/zinc/69/72/66/344697266.db2.gz JRJXYTPZSWXXLK-KKUMJFAQSA-N 2 0 281.444 1.694 10 0 CDAERP CC[C@H](C(=O)N1C[C@@H](C)[N@@H+](CC)[C@@H](C)C1)[NH+](C)C ZINC000640614434 362535382 /nfs/dbraw/zinc/53/53/82/362535382.db2.gz WCYICXHNLPNJMW-FRRDWIJNSA-N 2 0 255.406 1.268 10 0 CDAERP CCN(C(=O)C1CC[NH+](C(C)C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000617554564 345849688 /nfs/dbraw/zinc/84/96/88/345849688.db2.gz FREZJGZWWZMXQR-OAHLLOKOSA-N 2 0 281.444 1.659 10 0 CDAERP COCCOCCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623344060 346071443 /nfs/dbraw/zinc/07/14/43/346071443.db2.gz VUEJOIWMBDHVCK-ZDUSSCGKSA-N 2 0 258.406 1.502 10 0 CDAERP CC(C)[C@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)N1CCOCC1 ZINC000623345421 346072643 /nfs/dbraw/zinc/07/26/43/346072643.db2.gz BUCNMLUBWGNMOO-HOTGVXAUSA-N 2 0 297.487 1.806 10 0 CDAERP C[NH+](C)CC1CC[NH+](CCCC[C@](C)([NH3+])CO)CC1 ZINC000085242451 178984780 /nfs/dbraw/zinc/98/47/80/178984780.db2.gz QOGWUAXFVHIZFL-HNNXBMFYSA-N 3 0 271.449 1.140 10 0 CDAERP C[C@]1(C[NH2+]Cc2ccc(Cl)s2)COC[C@H]1[NH3+] ZINC000085396731 179049171 /nfs/dbraw/zinc/04/91/71/179049171.db2.gz GRZYCIIPMVHZLB-KOLCDFICSA-N 2 0 260.790 1.855 10 0 CDAERP C[C@H](C(N)=O)[N@@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403720 179053368 /nfs/dbraw/zinc/05/33/68/179053368.db2.gz WSVYLLRHLXUCGK-DGCLKSJQSA-N 2 0 253.390 1.104 10 0 CDAERP C[C@H]1CC[NH2+][C@](C)(C2CC2)C[N@@H+]1CCn1cccn1 ZINC000085623722 179106644 /nfs/dbraw/zinc/10/66/44/179106644.db2.gz RGUTUECEDRVKTG-ZFWWWQNUSA-N 2 0 262.401 1.736 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000227696212 346530905 /nfs/dbraw/zinc/53/09/05/346530905.db2.gz MBRVWVQUIAQUBP-TZMCWYRMSA-N 2 0 253.390 1.119 10 0 CDAERP C[C@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)CN1CCOCC1 ZINC000623427160 346576650 /nfs/dbraw/zinc/57/66/50/346576650.db2.gz OLCFXLPBTDFICU-CABCVRRESA-N 2 0 283.460 1.417 10 0 CDAERP COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000414683580 365872934 /nfs/dbraw/zinc/87/29/34/365872934.db2.gz BNSCRACITHPXCG-ZNMIVQPWSA-N 2 0 299.459 1.223 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC000635937567 362784949 /nfs/dbraw/zinc/78/49/49/362784949.db2.gz HOHZOIBEPIDHCD-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)[C@@H]1CCC[N@H+](C)C1 ZINC000085975140 179207754 /nfs/dbraw/zinc/20/77/54/179207754.db2.gz IESYAMWKPJDPAB-BARDWOONSA-N 2 0 254.418 1.857 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612992710 347358366 /nfs/dbraw/zinc/35/83/66/347358366.db2.gz JLFVENLMSHVIRR-AWEZNQCLSA-N 2 0 296.459 1.406 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000336038227 362835783 /nfs/dbraw/zinc/83/57/83/362835783.db2.gz WPXUQXUASGXQSH-RDJZCZTQSA-N 2 0 293.455 1.805 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3cncn3)cc2)CC[N@@H+]1C ZINC000174516473 365895067 /nfs/dbraw/zinc/89/50/67/365895067.db2.gz RYZACCLNXGPRFQ-HIFRSBDPSA-N 2 0 285.395 1.840 10 0 CDAERP C[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086259649 179259509 /nfs/dbraw/zinc/25/95/09/179259509.db2.gz HOVIDCYONCVMPI-BPLDGKMQSA-N 2 0 265.445 1.932 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623560939 347633324 /nfs/dbraw/zinc/63/33/24/347633324.db2.gz XSPOTWYFEOQGCK-MELADBBJSA-N 3 0 253.434 1.789 10 0 CDAERP C[C@@H]1C[C@H](C[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)CC[NH2+]1 ZINC000414690962 365941904 /nfs/dbraw/zinc/94/19/04/365941904.db2.gz BDBJZHUHTQJTKN-TUVASFSCSA-N 2 0 253.434 1.789 10 0 CDAERP C[NH+](C)CCN(Cc1ccsc1)C(=O)NC/C=C/C[NH3+] ZINC000641862776 365947544 /nfs/dbraw/zinc/94/75/44/365947544.db2.gz RLGWJIWWFBGYED-ONEGZZNKSA-N 2 0 296.440 1.336 10 0 CDAERP C[C@@H]([NH3+])C1CC[NH+](Cc2cn3ccccc3n2)CC1 ZINC000104444670 186004682 /nfs/dbraw/zinc/00/46/82/186004682.db2.gz SXEDJGOTQMMTMP-GFCCVEGCSA-N 2 0 258.369 1.894 10 0 CDAERP C[C@@H]([NH2+]CCOCCC[NH3+])c1ccc(C(=O)N(C)C)cc1 ZINC000629536510 362950800 /nfs/dbraw/zinc/95/08/00/362950800.db2.gz GKDVYVBXFZXBGL-CYBMUJFWSA-N 2 0 293.411 1.404 10 0 CDAERP CCO[C@@H](C[NH+]1CCC([NH2+]CCOC)CC1)C1CC1 ZINC000629536670 362951414 /nfs/dbraw/zinc/95/14/14/362951414.db2.gz IJIJNMRNLKIKSZ-HNNXBMFYSA-N 2 0 270.417 1.502 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@H](c1nnc[nH]1)C1CCCCC1 ZINC000629537206 362952426 /nfs/dbraw/zinc/95/24/26/362952426.db2.gz INJGVTVFCIGMEV-ZDUSSCGKSA-N 2 0 281.404 1.381 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC000629537915 362954223 /nfs/dbraw/zinc/95/42/23/362954223.db2.gz LRJQFAZKRNUURX-CQSZACIVSA-N 2 0 267.348 1.627 10 0 CDAERP Cc1ccc([C@@H](C)[NH2+]CCOCCC[NH3+])c(C)n1 ZINC000629537855 362953552 /nfs/dbraw/zinc/95/35/52/362953552.db2.gz LCKJVSIIDYUGMK-GFCCVEGCSA-N 2 0 251.374 1.714 10 0 CDAERP CC(C)[C@H](C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)[NH+](C)C ZINC000620968176 350388783 /nfs/dbraw/zinc/38/87/83/350388783.db2.gz ZOEBGOBJSCGBCE-LSDHHAIUSA-N 2 0 299.459 1.142 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000112554906 350578705 /nfs/dbraw/zinc/57/87/05/350578705.db2.gz QYBJTFRMIOCXAB-LSDHHAIUSA-N 2 0 296.459 1.500 10 0 CDAERP CC(C)C[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000621507284 350623350 /nfs/dbraw/zinc/62/33/50/350623350.db2.gz UUDBXLUXTAMADG-CHWSQXEVSA-N 2 0 255.406 1.350 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000629547178 362974466 /nfs/dbraw/zinc/97/44/66/362974466.db2.gz RSPBHHUBNFFZRJ-VQJWOFKYSA-N 2 0 251.418 1.637 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)CC[C@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000621651302 350690428 /nfs/dbraw/zinc/69/04/28/350690428.db2.gz JWGOUIREOGJKTR-XHSDSOJGSA-N 2 0 295.471 1.955 10 0 CDAERP O=C(CC[C@@H]1CCC[NH2+]C1)N1CC[NH+]2CCC1CC2 ZINC000621660006 350698526 /nfs/dbraw/zinc/69/85/26/350698526.db2.gz XVINOOKFAVYLGD-ZDUSSCGKSA-N 2 0 265.401 1.073 10 0 CDAERP CCn1nccc1CC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000621775669 350772150 /nfs/dbraw/zinc/77/21/50/350772150.db2.gz WCWPBNBSPIJVJB-NWANDNLSSA-N 2 0 262.401 1.505 10 0 CDAERP CC(C)c1noc(CCC[NH2+]C[C@@H](O)C[NH+]2CCCC2)n1 ZINC000629558401 362999695 /nfs/dbraw/zinc/99/96/95/362999695.db2.gz HELIJAAPGXJATP-CYBMUJFWSA-N 2 0 296.415 1.172 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)CCOc1cccc(Cl)c1 ZINC000629564697 363016806 /nfs/dbraw/zinc/01/68/06/363016806.db2.gz AZQFJUPUCJSROF-UHFFFAOYSA-N 2 0 286.803 1.887 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)CCOc1cc(C)ccc1C ZINC000629565206 363016865 /nfs/dbraw/zinc/01/68/65/363016865.db2.gz CMEFEYUQWSNOBX-UHFFFAOYSA-N 2 0 280.412 1.850 10 0 CDAERP C[NH2+]CCOCCN(C)CC(=O)Nc1ccc(C)c(C)c1 ZINC000629568607 363021562 /nfs/dbraw/zinc/02/15/62/363021562.db2.gz QYOFPJQURCUNSY-UHFFFAOYSA-N 2 0 293.411 1.410 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)CCc1scnc1C ZINC000629571545 363025201 /nfs/dbraw/zinc/02/52/01/363025201.db2.gz WJAPFFBYHJPJIR-UHFFFAOYSA-N 2 0 257.403 1.162 10 0 CDAERP Cc1noc([C@@H]2OCC[C@@H]2[NH2+]CCCC2CC[NH2+]CC2)n1 ZINC000629590235 363059863 /nfs/dbraw/zinc/05/98/63/363059863.db2.gz QOTDEIVOBHWBSG-UONOGXRCSA-N 2 0 294.399 1.577 10 0 CDAERP CO[C@@H](C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1)C1CCC1 ZINC000629591188 363068135 /nfs/dbraw/zinc/06/81/35/363068135.db2.gz CICCDWHORQPGML-IRXDYDNUSA-N 2 0 296.455 1.892 10 0 CDAERP COC(=O)C1CCC([NH2+][C@@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000414941835 290940452 /nfs/dbraw/zinc/94/04/52/290940452.db2.gz MCFZBKIKMGVQAC-IKWCTNDRSA-N 2 0 254.374 1.306 10 0 CDAERP C[C@H](CNC(=O)N[C@H]1CCCC[NH2+]C1)C[NH+]1CCCCC1 ZINC000333939598 363241567 /nfs/dbraw/zinc/24/15/67/363241567.db2.gz NHWLDDBUUNWOGM-CABCVRRESA-N 2 0 296.459 1.550 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)C/C=C\c1ccccc1OC ZINC000629652200 363250164 /nfs/dbraw/zinc/25/01/64/363250164.db2.gz CJJGYEQSTWMKKP-VURMDHGXSA-N 2 0 278.396 1.876 10 0 CDAERP CC(C)N(C)c1ccc(C[NH2+]CCOCCC[NH3+])cn1 ZINC000629680477 363329768 /nfs/dbraw/zinc/32/97/68/363329768.db2.gz RTUBAASFSASHLV-UHFFFAOYSA-N 2 0 280.416 1.381 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCC(C)(C)CO)[C@@H]2CCC[C@@H]21 ZINC000453286171 283134557 /nfs/dbraw/zinc/13/45/57/283134557.db2.gz XPZVMSPDMGYXDQ-IHRRRGAJSA-N 2 0 254.418 1.857 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@](C)(O)C2CC2)[C@H]2CCC[C@@H]21 ZINC000353521300 283138562 /nfs/dbraw/zinc/13/85/62/283138562.db2.gz QUTSBGJVQKMJDT-QPSCCSFWSA-N 2 0 252.402 1.610 10 0 CDAERP c1cc2c(cc1C[N@@H+]1C[C@@H]3COC[C@@H]3C1)C[NH2+]CC2 ZINC000634688188 356794769 /nfs/dbraw/zinc/79/47/69/356794769.db2.gz KZTKDMFKUKYFOG-IYBDPMFKSA-N 2 0 258.365 1.411 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)C[C@@](C)(O)C2CC2)C1 ZINC000634702052 357375347 /nfs/dbraw/zinc/37/53/47/357375347.db2.gz ZXXOUEQAFRBCPK-HYVNUMGLSA-N 2 0 298.471 1.608 10 0 CDAERP CN(C)c1ncc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)n1C ZINC000088164159 357430828 /nfs/dbraw/zinc/43/08/28/357430828.db2.gz UYFMYJYWFVPIBX-AGUYFDCRSA-N 2 0 291.443 1.591 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)CC(C)(C)[NH3+])[C@@H](C)C1 ZINC000236846410 357555448 /nfs/dbraw/zinc/55/54/48/357555448.db2.gz CPPHQXLEJGKPIF-NWDGAFQWSA-N 2 0 255.406 1.303 10 0 CDAERP c1ccn2c(c1)nnc2CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127781827 358248582 /nfs/dbraw/zinc/24/85/82/358248582.db2.gz KFGRXABFPISBDW-CHWSQXEVSA-N 2 0 271.368 1.446 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@@H]1C[C@@H]3CCCC[C@H]3[NH2+]1)C2 ZINC000634750347 358235448 /nfs/dbraw/zinc/23/54/48/358235448.db2.gz UWVNKKZOJOUPAC-SSRUIJIPSA-N 2 0 291.439 1.365 10 0 CDAERP C[NH+](C)CC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC000616569921 358610721 /nfs/dbraw/zinc/61/07/21/358610721.db2.gz KZHNDVXOGQASIN-ZIAGYGMSSA-N 2 0 279.359 1.031 10 0 CDAERP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H](C)[C@@H](C)[NH3+])CC2 ZINC000572944601 358739901 /nfs/dbraw/zinc/73/99/01/358739901.db2.gz QHMAKJFICWYIBI-SYQHCUMBSA-N 2 0 282.432 1.379 10 0 CDAERP c1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)nc1 ZINC000261887971 359078441 /nfs/dbraw/zinc/07/84/41/359078441.db2.gz GBDRLEUGRQLJHP-OAGGEKHMSA-N 2 0 275.396 1.371 10 0 CDAERP CC(C)N(C)C(=O)C1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261906029 359084999 /nfs/dbraw/zinc/08/49/99/359084999.db2.gz WYAJDHRCGQHVAI-MRXNPFEDSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NCC[NH+]1CCCCC1 ZINC000078988144 359096428 /nfs/dbraw/zinc/09/64/28/359096428.db2.gz RENNZTNXIANXTE-OAHLLOKOSA-N 2 0 298.475 1.748 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)C1 ZINC000262034882 359126518 /nfs/dbraw/zinc/12/65/18/359126518.db2.gz XUQXCOGRDXNWNH-UTSKFRMZSA-N 2 0 295.471 1.606 10 0 CDAERP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262468778 359171942 /nfs/dbraw/zinc/17/19/42/359171942.db2.gz WRYWTZBUCWHHIT-BARDWOONSA-N 2 0 281.444 1.611 10 0 CDAERP [NH3+]CC1CCC([NH2+][C@@H]2CCCN(c3ncccn3)C2)CC1 ZINC000333250523 283426970 /nfs/dbraw/zinc/42/69/70/283426970.db2.gz GSPUNMCGRBCTHO-YMAMQOFZSA-N 2 0 289.427 1.553 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CC[NH2+]1 ZINC000580429401 359614755 /nfs/dbraw/zinc/61/47/55/359614755.db2.gz CEEWNJXHIAQLAX-HONMWMINSA-N 2 0 279.359 1.125 10 0 CDAERP C[C@@H](CCN[C@H]1CC[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000379650436 359636656 /nfs/dbraw/zinc/63/66/56/359636656.db2.gz RWVMHXHMPSGRPA-HOCLYGCPSA-N 2 0 261.413 1.849 10 0 CDAERP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H](CO)c1ccccc1 ZINC000423002659 359718108 /nfs/dbraw/zinc/71/81/08/359718108.db2.gz GMKRBHMKTGKMKE-BMFZPTHFSA-N 2 0 262.397 1.740 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CC(C)(C)[C@H](O)C(C)C ZINC000423002516 359709977 /nfs/dbraw/zinc/70/99/77/359709977.db2.gz JKQDGOIYQGVCFC-CHWSQXEVSA-N 2 0 260.422 1.373 10 0 CDAERP CC[C@@H](C(=O)NCc1ccc2c[nH+]cn2c1)[NH+](C)C ZINC000297398398 200175728 /nfs/dbraw/zinc/17/57/28/200175728.db2.gz XKZZKRCJQYMPEH-ZDUSSCGKSA-N 2 0 260.341 1.291 10 0 CDAERP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C2CC2)[C@H]2CNCCO2)C1 ZINC000422970922 359728278 /nfs/dbraw/zinc/72/82/78/359728278.db2.gz HNVWFPRRFPOBSB-FVQBIDKESA-N 3 0 281.444 1.075 10 0 CDAERP C[C@@H](CCC[NH3+])[NH2+][C@@H](c1cnn[nH]1)c1ccc(F)cc1 ZINC000423464962 359802208 /nfs/dbraw/zinc/80/22/08/359802208.db2.gz WDZWCZVAZULRQW-IINYFYTJSA-N 2 0 277.347 1.750 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCc2cnn(C)c2)[C@@H](C)C1 ZINC000336798287 359853757 /nfs/dbraw/zinc/85/37/57/359853757.db2.gz DKJARONZCKIAOL-ZFWWWQNUSA-N 2 0 264.417 1.625 10 0 CDAERP C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000237125660 283496932 /nfs/dbraw/zinc/49/69/32/283496932.db2.gz DLBKMHBUAIJJQA-XBFCOCLRSA-N 2 0 265.401 1.118 10 0 CDAERP O=C1NCCC[C@@H]1[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000336842839 359909962 /nfs/dbraw/zinc/90/99/62/359909962.db2.gz UIAJMYQDXOAYIJ-INIZCTEOSA-N 2 0 293.455 1.853 10 0 CDAERP C[C@@H](Cc1ccc(O)cc1)[N@H+](C)C[C@H](O)CN(C)C1CC1 ZINC000336847881 359916670 /nfs/dbraw/zinc/91/66/70/359916670.db2.gz GQHVDVLWGFQVEG-GUYCJALGSA-N 2 0 292.423 1.710 10 0 CDAERP CC[NH+](CC)CCN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000119741730 359949974 /nfs/dbraw/zinc/94/99/74/359949974.db2.gz AMSMLDWDZBSEEJ-HUUCEWRRSA-N 2 0 253.434 1.744 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@]1(C)CCCC[NH2+]1 ZINC000252776666 140325562 /nfs/dbraw/zinc/32/55/62/140325562.db2.gz KNGBMVADLWTDBU-IPYPFGDCSA-N 2 0 265.401 1.214 10 0 CDAERP CC(C)[NH+]1CCN(CCC[N@H+](C)CCCCO)CC1 ZINC000337486308 360156097 /nfs/dbraw/zinc/15/60/97/360156097.db2.gz ZBJRBXSJZWCMFK-UHFFFAOYSA-N 2 0 271.449 1.107 10 0 CDAERP O=C(NCC[NH+]1CCC1)c1cccc(C[NH+]2CCCC2)c1 ZINC000337585867 360270741 /nfs/dbraw/zinc/27/07/41/360270741.db2.gz FFEBNCUPECHNKC-UHFFFAOYSA-N 2 0 287.407 1.718 10 0 CDAERP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCCC23CC3)CC1 ZINC000515434197 360498482 /nfs/dbraw/zinc/49/84/82/360498482.db2.gz GYDMYNGJAWDLHD-GJZGRUSLSA-N 2 0 265.445 1.935 10 0 CDAERP CC[C@@H](C(=O)N1CC2CCC1(C[NH3+])CC2)[NH+](CC)CC ZINC000516190807 360570906 /nfs/dbraw/zinc/57/09/06/360570906.db2.gz OCAVTWGQXBHNDI-BBBYJDLNSA-N 2 0 281.444 1.837 10 0 CDAERP C[C@H]1CC[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C[NH2+]1 ZINC000626918325 360630984 /nfs/dbraw/zinc/63/09/84/360630984.db2.gz YWUXUKSOPHXYQR-RYUDHWBXSA-N 2 0 296.459 1.735 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccnc(C)c2)C1 ZINC000348847720 360636736 /nfs/dbraw/zinc/63/67/36/360636736.db2.gz FMNKIBXKZBGCAO-GFCCVEGCSA-N 2 0 262.357 1.275 10 0 CDAERP C[C@@H]1CN(C(=O)[C@@H](C[NH3+])c2ccccc2)C[C@@]1(C)C[NH3+] ZINC000417829154 360780658 /nfs/dbraw/zinc/78/06/58/360780658.db2.gz GCVJNCIZBUIMHK-IVMMDQJWSA-N 2 0 275.396 1.172 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000417024571 296022528 /nfs/dbraw/zinc/02/25/28/296022528.db2.gz XJDWGDCKYLSJRT-FDYHWXHSSA-N 2 0 270.421 1.142 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000349875940 360956859 /nfs/dbraw/zinc/95/68/59/360956859.db2.gz MDSIRMVXCXRXGD-UKRRQHHQSA-N 2 0 296.459 1.595 10 0 CDAERP CN(C(=O)CCC(C)(C)[NH3+])[C@@H]1C[NH+]2CCC1CC2 ZINC000311121093 361207805 /nfs/dbraw/zinc/20/78/05/361207805.db2.gz XPXNQOPWEMKMPS-GFCCVEGCSA-N 2 0 253.390 1.057 10 0 CDAERP C[C@@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)[NH+](C)C ZINC000350916582 361427556 /nfs/dbraw/zinc/42/75/56/361427556.db2.gz FIDCGCIHEKHBSH-STQMWFEESA-N 2 0 255.406 1.317 10 0 CDAERP COC(=O)[C@H](C1CC1)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339439957 361509218 /nfs/dbraw/zinc/50/92/18/361509218.db2.gz VBWYCLLDTIYNHW-DZGCQCFKSA-N 2 0 266.385 1.356 10 0 CDAERP CCOC(=O)COCC[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000351474110 361692816 /nfs/dbraw/zinc/69/28/16/361692816.db2.gz FGKHAEPMGVSUGW-UHFFFAOYSA-N 2 0 286.416 1.230 10 0 CDAERP [NH3+][C@H]1CCCCCC[C@H]1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000644141866 363984905 /nfs/dbraw/zinc/98/49/05/363984905.db2.gz GWVTZPVYKAFMLB-RVMXOQNASA-N 2 0 271.380 1.100 10 0 CDAERP Cc1ncc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cn1 ZINC000340434351 370720851 /nfs/dbraw/zinc/72/08/51/370720851.db2.gz KJXRJOJXTBMTAO-ZIAGYGMSSA-N 2 0 292.427 1.764 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000566438217 370722475 /nfs/dbraw/zinc/72/24/75/370722475.db2.gz NGQYCVPIICZNHX-CABCVRRESA-N 2 0 279.428 1.415 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC2([NH+](C)C)CCC2)CC[N@@H+]1C ZINC000632682539 364244845 /nfs/dbraw/zinc/24/48/45/364244845.db2.gz GTEBNQGOJSVTDK-QWHCGFSZSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C[NH+](C)C1CCC1 ZINC000629959814 364262404 /nfs/dbraw/zinc/26/24/04/364262404.db2.gz YMIFHKOYHISASC-OKILXGFUSA-N 2 0 281.444 1.850 10 0 CDAERP C[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)[C@@H]1CCOC1 ZINC000166354009 364338289 /nfs/dbraw/zinc/33/82/89/364338289.db2.gz DHEDXFQKDAKBNR-SWLSCSKDSA-N 2 0 260.381 1.847 10 0 CDAERP C[NH2+]C1(CNC(=O)CC[C@H]2CCCC[N@@H+]2C)CCC1 ZINC000630002509 364410406 /nfs/dbraw/zinc/41/04/06/364410406.db2.gz YYJYXOJSOMAXIR-CYBMUJFWSA-N 2 0 267.417 1.509 10 0 CDAERP CCN(C(=O)C[NH+](C)C1CCC1)[C@H]1CC[N@H+](C)C1 ZINC000630016942 364429472 /nfs/dbraw/zinc/42/94/72/364429472.db2.gz OPXMVCXDNHEQLI-ZDUSSCGKSA-N 2 0 253.390 1.023 10 0 CDAERP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)C(F)F ZINC000300555438 364714761 /nfs/dbraw/zinc/71/47/61/364714761.db2.gz OPPJZHDPSMNYMY-DDHJBXDOSA-N 2 0 262.344 1.513 10 0 CDAERP COC[C@@H](C)C[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000187768151 364820511 /nfs/dbraw/zinc/82/05/11/364820511.db2.gz WTOYQINSTGNHAA-AWEZNQCLSA-N 2 0 292.427 1.206 10 0 CDAERP [NH2+]=C(NCc1ccccc1)N[C@H]1CC[N@@H+]2CCC[C@H]12 ZINC000306985225 364931716 /nfs/dbraw/zinc/93/17/16/364931716.db2.gz NADRXYCNMMKLSP-UONOGXRCSA-N 2 0 258.369 1.537 10 0 CDAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)[C@H]1C[C@@H]1C ZINC000414132232 241081451 /nfs/dbraw/zinc/08/14/51/241081451.db2.gz MHPABXUARBXNEV-YJNKXOJESA-N 2 0 253.434 1.647 10 0 CDAERP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)[C@@H]1C[C@H]1C ZINC000414065369 241051779 /nfs/dbraw/zinc/05/17/79/241051779.db2.gz OILQRQJDPLWRSY-VNHYZAJKSA-N 2 0 253.434 1.647 10 0 CDAERP CC[NH+](CC)CCO[C@H]1CCN(C[C@@H]([NH3+])CC(C)C)C1 ZINC000414744572 241362168 /nfs/dbraw/zinc/36/21/68/241362168.db2.gz OMJNTADZCVCGDO-HOTGVXAUSA-N 2 0 285.476 1.793 10 0 CDAERP Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](CCC[NH3+])C2)n1 ZINC000414703698 241338588 /nfs/dbraw/zinc/33/85/88/241338588.db2.gz LURDENJRILKKQZ-CYBMUJFWSA-N 2 0 276.384 1.389 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCc2ccccc2[C@H]1CO ZINC000414707977 241342542 /nfs/dbraw/zinc/34/25/42/241342542.db2.gz PRKAGBFOQKPPCR-GOEBONIOSA-N 2 0 262.397 1.952 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000414791269 241389715 /nfs/dbraw/zinc/38/97/15/241389715.db2.gz BDNAJQWUJRFGNU-GOEBONIOSA-N 2 0 285.395 1.874 10 0 CDAERP CC(C)n1ccc(C[C@@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)n1 ZINC000414827616 367029788 /nfs/dbraw/zinc/02/97/88/367029788.db2.gz HMZXGLAGJOZILE-KGLIPLIRSA-N 2 0 264.417 1.984 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000626976690 367120151 /nfs/dbraw/zinc/12/01/51/367120151.db2.gz MKJRJUXNUXETPL-OLZOCXBDSA-N 2 0 270.421 1.158 10 0 CDAERP CC(C)n1cc(CN2C[C@@H](C)[C@](C)(C[NH3+])C2)cn1 ZINC000311214560 367139071 /nfs/dbraw/zinc/13/90/71/367139071.db2.gz QWFQDGMNHWTMBA-TZMCWYRMSA-N 2 0 250.390 1.881 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000626969741 367105303 /nfs/dbraw/zinc/10/53/03/367105303.db2.gz FJSVWVCHYBKFGF-KFWWJZLASA-N 2 0 296.459 1.547 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000626970225 367107409 /nfs/dbraw/zinc/10/74/09/367107409.db2.gz LESNSBCRDHNPIE-SOUVJXGZSA-N 2 0 296.459 1.547 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000626991198 367183361 /nfs/dbraw/zinc/18/33/61/367183361.db2.gz CKZKDBGVFIATKR-ZDUSSCGKSA-N 2 0 282.432 1.302 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)C[NH2+]1 ZINC000627002177 367224761 /nfs/dbraw/zinc/22/47/61/367224761.db2.gz SEAWHRSGFPYJPX-URGYJCLVSA-N 2 0 296.459 1.547 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627038960 367281167 /nfs/dbraw/zinc/28/11/67/367281167.db2.gz XMOFXHQEDJIUKT-KBPBESRZSA-N 2 0 296.459 1.691 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000627037777 367282334 /nfs/dbraw/zinc/28/23/34/367282334.db2.gz BZFHLIXMXDEJMD-HZSPNIEDSA-N 2 0 284.448 1.547 10 0 CDAERP C[C@]1(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)CC[NH2+]C1 ZINC000261938676 291380297 /nfs/dbraw/zinc/38/02/97/291380297.db2.gz DLWSOCFUCJKCEF-KRWDZBQOSA-N 2 0 293.455 1.711 10 0 CDAERP CC(=O)Nc1ccc(C[NH2+][C@H]2CN(C)C[C@@H]2C)cc1 ZINC000358068269 367405719 /nfs/dbraw/zinc/40/57/19/367405719.db2.gz ZKJQZJKRZUDLRG-NHYWBVRUSA-N 2 0 261.369 1.685 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000417169647 242343092 /nfs/dbraw/zinc/34/30/92/242343092.db2.gz HXPXGWCUQPGCHQ-MJVIPROJSA-N 2 0 296.390 1.463 10 0 CDAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NC(C)(C)C[NH3+] ZINC000417192867 242353469 /nfs/dbraw/zinc/35/34/69/242353469.db2.gz LAUDOHUCTQSWKP-AWEZNQCLSA-N 2 0 292.427 1.196 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000417236128 242375068 /nfs/dbraw/zinc/37/50/68/242375068.db2.gz DONMSNNAXBQLQS-RBSFLKMASA-N 2 0 294.443 1.112 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000627240669 367805894 /nfs/dbraw/zinc/80/58/94/367805894.db2.gz UXXWUIDALLNBDP-AEGPPILISA-N 2 0 294.443 1.110 10 0 CDAERP C[NH+](C)Cc1ccccc1CNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638053605 367857779 /nfs/dbraw/zinc/85/77/79/367857779.db2.gz KGCQVKZRWCXJRV-OAHLLOKOSA-N 2 0 273.380 1.412 10 0 CDAERP [NH3+][C@@H]1CC=C(C(=O)N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000638059403 367896325 /nfs/dbraw/zinc/89/63/25/367896325.db2.gz LNONBHWZMNFWLL-CQSZACIVSA-N 2 0 277.412 1.511 10 0 CDAERP CCC[C@](C)([NH3+])C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088164372 284003833 /nfs/dbraw/zinc/00/38/33/284003833.db2.gz HRRIWWYOMORRKD-FLTXBFBQSA-N 2 0 267.417 1.635 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]([NH3+])CCC(C)C)C1 ZINC000638079475 368127425 /nfs/dbraw/zinc/12/74/25/368127425.db2.gz FPOSRJFEPPQDOL-STQMWFEESA-N 2 0 255.406 1.350 10 0 CDAERP C[C@@H]1CCC[C@](CNC(=O)C2=CC[C@@H]([NH3+])C2)([NH+](C)C)C1 ZINC000638080169 368134131 /nfs/dbraw/zinc/13/41/31/368134131.db2.gz ZTODJRDXKHPQMW-XPKDYRNWSA-N 2 0 279.428 1.661 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)CC(=O)N2CCCC2)[C@H](C)C1 ZINC000125769719 368243155 /nfs/dbraw/zinc/24/31/55/368243155.db2.gz ITEKMWAIQXIYBJ-ZIAGYGMSSA-N 2 0 267.417 1.271 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]([NH3+])CCC(C)C ZINC000638108657 368417332 /nfs/dbraw/zinc/41/73/32/368417332.db2.gz NIYBFIUYKNREFB-KBPBESRZSA-N 2 0 269.433 1.693 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)NC(C)(C)C[NH+](C)C)cc1 ZINC000418461442 243106476 /nfs/dbraw/zinc/10/64/76/243106476.db2.gz LRMIODPDSSDZHB-LBPRGKRZSA-N 2 0 292.427 1.846 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418599911 243259271 /nfs/dbraw/zinc/25/92/71/243259271.db2.gz RUVBNIXUAXPVMC-SYQHCUMBSA-N 2 0 282.432 1.049 10 0 CDAERP C[NH2+]CCC1CCN(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000418581587 243235816 /nfs/dbraw/zinc/23/58/16/243235816.db2.gz UXDUBQDSGQMAOI-JSGCOSHPSA-N 2 0 282.432 1.016 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000418582970 243237242 /nfs/dbraw/zinc/23/72/42/243237242.db2.gz WATWFJKWPLEWLY-ZIAGYGMSSA-N 2 0 282.432 1.112 10 0 CDAERP CC[NH+](C/C=C/C[N@@H+](CC)[C@@H]1CCOC1)[C@@H]1CCOC1 ZINC000361587974 368918245 /nfs/dbraw/zinc/91/82/45/368918245.db2.gz CWAYFIDRNLOALL-DOOVEFGSSA-N 2 0 282.428 1.764 10 0 CDAERP CC[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)[NH+](CC)CC ZINC000361775653 369036464 /nfs/dbraw/zinc/03/64/64/369036464.db2.gz HSDVXCKFEDPAJS-LSDHHAIUSA-N 2 0 281.444 1.802 10 0 CDAERP c1nc(NCC2CC2)cc(N[C@H]2CC[NH2+]C23CCC3)n1 ZINC000630523378 369138728 /nfs/dbraw/zinc/13/87/28/369138728.db2.gz DYEDZOWEVCDQEH-LBPRGKRZSA-N 2 0 273.384 1.995 10 0 CDAERP CC(C)(C)[C@@H]([NH3+])c1cn(-c2cccc(C[NH3+])c2)nn1 ZINC000630607062 369379653 /nfs/dbraw/zinc/37/96/53/369379653.db2.gz BQNDGSGATNMOEX-ZDUSSCGKSA-N 2 0 259.357 1.772 10 0 CDAERP c1c(C[NH2+]C2CCCC2)nnn1CC[NH+]1CCCC1 ZINC000630617706 369422460 /nfs/dbraw/zinc/42/24/60/369422460.db2.gz GFUMRXCFKMFLFR-UHFFFAOYSA-N 2 0 263.389 1.406 10 0 CDAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@H]2CCCC(C)(C)C2)CC1 ZINC000567345759 370958987 /nfs/dbraw/zinc/95/89/87/370958987.db2.gz SIXYJTZTDZAABR-HOTGVXAUSA-N 2 0 297.487 1.401 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]1C(=O)NCC1([NH3+])CCCCCC1 ZINC000368555743 369515881 /nfs/dbraw/zinc/51/58/81/369515881.db2.gz JKWDRIQBCKENQH-NWDGAFQWSA-N 2 0 253.390 1.282 10 0 CDAERP OCC[C@H]1CSCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000565093109 370348861 /nfs/dbraw/zinc/34/88/61/370348861.db2.gz JNDGTIDTGJUSIO-INIZCTEOSA-N 2 0 292.448 1.632 10 0 CDAERP C[C@@H](C[NH2+]C[C@@H](O)CC1CCCC1)CN1CC[NH+](C)CC1 ZINC000566118269 370615618 /nfs/dbraw/zinc/61/56/18/370615618.db2.gz UAZSNIVQBPMSGW-RDJZCZTQSA-N 2 0 297.487 1.401 10 0 CDAERP CC(C)(C)[NH2+]CCNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000566184551 370638522 /nfs/dbraw/zinc/63/85/22/370638522.db2.gz LRRCBXUUCIOXOC-ZDUSSCGKSA-N 2 0 281.375 1.372 10 0 CDAERP C[C@@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1)C1C[NH2+]C1 ZINC000422867812 245354561 /nfs/dbraw/zinc/35/45/61/245354561.db2.gz TTYNBDNYTTZYNS-PWSUYJOCSA-N 2 0 281.350 1.741 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CNC(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652137711 412788743 /nfs/dbraw/zinc/78/87/43/412788743.db2.gz TUDZWDSNTMEAKO-ZDUSSCGKSA-N 2 0 282.432 1.147 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000422877940 245364825 /nfs/dbraw/zinc/36/48/25/245364825.db2.gz JANYCBDYDCJZGE-FZKCQIBNSA-N 2 0 285.476 1.696 10 0 CDAERP COCC1(C[NH2+]Cc2nc(C)ccc2O)CC[NH2+]CC1 ZINC000414981319 371347319 /nfs/dbraw/zinc/34/73/19/371347319.db2.gz XBQZOWMYCSNZEF-UHFFFAOYSA-N 2 0 279.384 1.201 10 0 CDAERP CC[C@H](Cn1cncn1)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000340515369 371485523 /nfs/dbraw/zinc/48/55/23/371485523.db2.gz BEXDBMDRLORIIF-LSDHHAIUSA-N 2 0 279.432 1.911 10 0 CDAERP C[N@H+]1C[C@@H]2C[NH+](CC[C@H](O)c3ccccc3)C[C@@H]2C1 ZINC000377607373 371603394 /nfs/dbraw/zinc/60/33/94/371603394.db2.gz OVDNKTFESNGODE-XHSDSOJGSA-N 2 0 260.381 1.604 10 0 CDAERP [NH3+]Cc1ccc2c(c1)CCCN2C(=O)CC1CC[NH2+]CC1 ZINC000378188343 371860467 /nfs/dbraw/zinc/86/04/67/371860467.db2.gz CRWYTYLRIMEWCY-UHFFFAOYSA-N 2 0 287.407 1.814 10 0 CDAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+](CC)CC ZINC000173264641 372468623 /nfs/dbraw/zinc/46/86/23/372468623.db2.gz AWJSEGPGMOMSPO-HUUCEWRRSA-N 2 0 296.459 1.596 10 0 CDAERP CCOC(=O)C1([C@H](C)[NH2+]CC[C@H]2CCOC2)CC[NH2+]CC1 ZINC000423031130 245510141 /nfs/dbraw/zinc/51/01/41/245510141.db2.gz KOIMBKOCOAZJMP-KBPBESRZSA-N 2 0 298.427 1.324 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)[NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000175317277 372661952 /nfs/dbraw/zinc/66/19/52/372661952.db2.gz MKNNCJVVVRKYKT-LXTVHRRPSA-N 2 0 281.444 1.706 10 0 CDAERP CCc1nccn1[C@@H]1CCC[N@H+](CCOCCOC)C1 ZINC000175653026 372683673 /nfs/dbraw/zinc/68/36/73/372683673.db2.gz GTEYAVARXLGCKQ-CQSZACIVSA-N 2 0 281.400 1.745 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N[C@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000333303331 205199398 /nfs/dbraw/zinc/19/93/98/205199398.db2.gz JEMNXTLEXRQGKV-HIFRSBDPSA-N 2 0 296.459 1.406 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000333299908 205197839 /nfs/dbraw/zinc/19/78/39/205197839.db2.gz ITEAJCUXDBFZPI-UONOGXRCSA-N 2 0 282.432 1.097 10 0 CDAERP COC[C@@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182609563 373023297 /nfs/dbraw/zinc/02/32/97/373023297.db2.gz DASFAMKXWGLXOL-JZWPEALZSA-N 2 0 281.444 1.264 10 0 CDAERP CCN1CC[C@H]([NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000396399586 373115145 /nfs/dbraw/zinc/11/51/45/373115145.db2.gz XGOSAKGSHORLAB-CXQJBGSLSA-N 2 0 280.334 1.906 10 0 CDAERP C[NH2+][C@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000081557363 373649717 /nfs/dbraw/zinc/64/97/17/373649717.db2.gz ZLFLKMDDAUATEB-HIFRSBDPSA-N 2 0 275.396 1.375 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)CC[NH2+]C1CC1 ZINC000037612474 374013148 /nfs/dbraw/zinc/01/31/48/374013148.db2.gz XEEVLKPTBRGTSB-ZDUSSCGKSA-N 2 0 255.406 1.221 10 0 CDAERP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000423746874 246023362 /nfs/dbraw/zinc/02/33/62/246023362.db2.gz PVPFARNHRMAYIE-QWRGUYRKSA-N 2 0 262.357 1.005 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](C2CC2)C[C@H]1C ZINC000342468321 374225585 /nfs/dbraw/zinc/22/55/85/374225585.db2.gz SKNZKGWYNRBXBM-BPLDGKMQSA-N 2 0 279.428 1.460 10 0 CDAERP C[NH+](C)Cc1ccc(C(=O)NCC(C)(C)[NH+](C)C)cn1 ZINC000670454789 483029913 /nfs/dbraw/zinc/02/99/13/483029913.db2.gz XUWIPADCRPCJDC-UHFFFAOYSA-N 2 0 278.400 1.213 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@@H](C)[NH3+])[C@@H](C)C1 ZINC000418724232 374540739 /nfs/dbraw/zinc/54/07/39/374540739.db2.gz NGHLUKLVEPXEST-LOWDOPEQSA-N 2 0 270.421 1.094 10 0 CDAERP C(CN1CCC[C@@H]2C[NH2+]CC[C@H]21)C[NH+]1CCCCC1 ZINC000631889438 374596959 /nfs/dbraw/zinc/59/69/59/374596959.db2.gz GGOXNPMNEKGQKG-HZPDHXFCSA-N 2 0 265.445 1.936 10 0 CDAERP CC(C)n1cncc1C[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000424144821 246354721 /nfs/dbraw/zinc/35/47/21/246354721.db2.gz MDHYWOUZRHCILC-CQSZACIVSA-N 2 0 279.432 1.190 10 0 CDAERP C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000342823175 374607643 /nfs/dbraw/zinc/60/76/43/374607643.db2.gz VLISVRTVLDIYLR-UKRRQHHQSA-N 2 0 292.427 1.062 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000342953185 374765495 /nfs/dbraw/zinc/76/54/95/374765495.db2.gz WKSUVGSQVMRWSS-HIFRSBDPSA-N 2 0 279.428 1.461 10 0 CDAERP Cc1nccn1CCCC[NH+]1CCN(CC(F)F)CC1 ZINC000125489004 374940002 /nfs/dbraw/zinc/94/00/02/374940002.db2.gz YNPBOWPPMQPBAG-UHFFFAOYSA-N 2 0 286.370 1.854 10 0 CDAERP Cc1cncn1CC(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000627395215 375254060 /nfs/dbraw/zinc/25/40/60/375254060.db2.gz DEEFCVKMZCLJOE-LLVKDONJSA-N 2 0 252.362 1.036 10 0 CDAERP CCCOC(=O)[C@H](C)N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000130424726 375290331 /nfs/dbraw/zinc/29/03/31/375290331.db2.gz CFPCQIMHVSNCQD-GJZGRUSLSA-N 2 0 297.443 1.040 10 0 CDAERP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000417084242 375724766 /nfs/dbraw/zinc/72/47/66/375724766.db2.gz VTCRXTVAOPAIAX-APIJFGDWSA-N 2 0 292.427 1.149 10 0 CDAERP C[C@H](CNC(=O)N[C@H]1C[NH2+]CC[C@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000417019794 375709762 /nfs/dbraw/zinc/70/97/62/375709762.db2.gz RFEBJUMNYIUOSK-TUVASFSCSA-N 2 0 296.459 1.404 10 0 CDAERP C[C@H](C[NH3+])N(C)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000417182468 375737971 /nfs/dbraw/zinc/73/79/71/375737971.db2.gz JEQIUFVQZDAJSZ-UKRRQHHQSA-N 2 0 292.427 1.148 10 0 CDAERP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000417328099 375782467 /nfs/dbraw/zinc/78/24/67/375782467.db2.gz LPHJWQQXXJMETN-MQYQWHSLSA-N 2 0 282.432 1.238 10 0 CDAERP C[C@H](CNC(=O)N[C@H](C)[C@H](C)[NH3+])[NH+]1CCC(C)CC1 ZINC000417310460 375760619 /nfs/dbraw/zinc/76/06/19/375760619.db2.gz KCTKACHSBAIELF-FRRDWIJNSA-N 2 0 270.421 1.142 10 0 CDAERP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000417316664 375767939 /nfs/dbraw/zinc/76/79/39/375767939.db2.gz GAGIMOCBTAUDSX-JSGCOSHPSA-N 2 0 278.400 1.326 10 0 CDAERP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000417316663 375767972 /nfs/dbraw/zinc/76/79/72/375767972.db2.gz GAGIMOCBTAUDSX-GXTWGEPZSA-N 2 0 278.400 1.326 10 0 CDAERP [NH3+][C@@H](CCC(=O)N1CC[NH+]2CCC1CC2)c1ccccc1 ZINC000574450128 295001252 /nfs/dbraw/zinc/00/12/52/295001252.db2.gz FWKLLDHMJHKPPV-INIZCTEOSA-N 2 0 287.407 1.773 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)C[C@@H]2CC[NH2+]C2)CC1 ZINC000638975744 376320207 /nfs/dbraw/zinc/32/02/07/376320207.db2.gz OTSSWNPJFBXEHU-ZDUSSCGKSA-N 2 0 267.417 1.319 10 0 CDAERP CCC[C@](C)([NH3+])C(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000638975759 376320950 /nfs/dbraw/zinc/32/09/50/376320950.db2.gz PLCBKHROLPBVMV-AWEZNQCLSA-N 2 0 269.433 1.837 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)CC[C@@H]2CC[NH2+]C2)CC1 ZINC000638976194 376322111 /nfs/dbraw/zinc/32/21/11/376322111.db2.gz VKDMYIKEHLOMEZ-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)NC[C@@H](C)C[NH2+]C)CC1 ZINC000418392351 284580286 /nfs/dbraw/zinc/58/02/86/284580286.db2.gz PYVAWJVIGLMYRW-AWEZNQCLSA-N 2 0 298.475 1.605 10 0 CDAERP CC[NH+]1CCC(CC[NH2+][C@H]2CN(C)C[C@@H]2C)CC1 ZINC000344581478 376581331 /nfs/dbraw/zinc/58/13/31/376581331.db2.gz AETVSFLGZIMYNU-ZFWWWQNUSA-N 2 0 253.434 1.648 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC000631830162 376669324 /nfs/dbraw/zinc/66/93/24/376669324.db2.gz LMJHQYZXJVYOSY-LLVKDONJSA-N 2 0 250.333 1.590 10 0 CDAERP CCN(CC(F)(F)F)C(=O)CN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000631823823 376649216 /nfs/dbraw/zinc/64/92/16/376649216.db2.gz OPQMJTYZSRHUMZ-VHSXEESVSA-N 2 0 281.322 1.066 10 0 CDAERP CCN(CC(F)(F)F)C(=O)CN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000631823821 376649698 /nfs/dbraw/zinc/64/96/98/376649698.db2.gz OPQMJTYZSRHUMZ-NXEZZACHSA-N 2 0 281.322 1.066 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)C[C@@H](C)[NH3+])[C@H](C)C1 ZINC000574689831 295038975 /nfs/dbraw/zinc/03/89/75/295038975.db2.gz VQOSKEDKRWUMAT-SYQHCUMBSA-N 2 0 284.448 1.484 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]CCc2nc(C)no2)[C@@H](C)C1 ZINC000246385914 376651581 /nfs/dbraw/zinc/65/15/81/376651581.db2.gz KLPIQSVRRIAFSH-JQWIXIFHSA-N 2 0 252.362 1.240 10 0 CDAERP C[C@@H]1C[N@H+](Cc2ccc(-n3cccn3)cc2)C[C@H]1C[NH3+] ZINC000631839620 376690558 /nfs/dbraw/zinc/69/05/58/376690558.db2.gz IPLODLTWIWNNSM-UKRRQHHQSA-N 2 0 270.380 1.899 10 0 CDAERP CO[C@@H]1CC[C@@H]2OCCN(CC[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC000252745372 377719492 /nfs/dbraw/zinc/71/94/92/377719492.db2.gz ONVOLVJBTJLAHQ-JJXSEGSLSA-N 2 0 282.428 1.739 10 0 CDAERP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCC1([NH3+])CCCCCC1 ZINC000334936471 377706309 /nfs/dbraw/zinc/70/63/09/377706309.db2.gz QEPNGBPBTFPSFX-UONOGXRCSA-N 2 0 296.459 1.949 10 0 CDAERP CCC[C@H](C(=O)NCC1CC[NH+](CCC)CC1)[NH+](C)C ZINC000161870526 377777893 /nfs/dbraw/zinc/77/78/93/377777893.db2.gz JGNNRGVDLYHHKA-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP OCC[NH+]1CCC(C[NH2+]Cc2cccs2)CC1 ZINC000069415314 378079028 /nfs/dbraw/zinc/07/90/28/378079028.db2.gz DNAKBGPVEZHSKE-UHFFFAOYSA-N 2 0 254.399 1.542 10 0 CDAERP CCCNC(=O)CCC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662325212 412896093 /nfs/dbraw/zinc/89/60/93/412896093.db2.gz CVDOPJUGVUWZJW-OAHLLOKOSA-N 2 0 299.459 1.335 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000443533739 250038218 /nfs/dbraw/zinc/03/82/18/250038218.db2.gz PUPWZHXNFLODNQ-ZIAGYGMSSA-N 2 0 283.460 1.953 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@H](C)[C@H]1CO ZINC000443859116 250057914 /nfs/dbraw/zinc/05/79/14/250057914.db2.gz WTBKDGLPYLYMMT-BLLLJJGKSA-N 2 0 286.379 1.778 10 0 CDAERP COCCC[NH+]1CCC(N[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000343927139 379019650 /nfs/dbraw/zinc/01/96/50/379019650.db2.gz VINQXYQFXPNHJI-ZFWWWQNUSA-N 2 0 269.433 1.027 10 0 CDAERP CN(CCCC1CC[NH2+]CC1)[C@@H](C[NH3+])C(F)(F)F ZINC000662331237 412902482 /nfs/dbraw/zinc/90/24/82/412902482.db2.gz MAAOUWKDMABRBF-NSHDSACASA-N 2 0 267.339 1.588 10 0 CDAERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@](C)(O)CC)C1 ZINC000444593786 250150174 /nfs/dbraw/zinc/15/01/74/250150174.db2.gz HEDUESBDCUDTOS-HUUCEWRRSA-N 2 0 272.433 1.580 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1C[C@@H](C)O[C@@H]1C ZINC000657573510 412904013 /nfs/dbraw/zinc/90/40/13/412904013.db2.gz OSVWLBTYELCMDA-YJNKXOJESA-N 2 0 271.449 1.414 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000657572721 412905356 /nfs/dbraw/zinc/90/53/56/412905356.db2.gz CSKXGNGIJFAPAW-ARFHVFGLSA-N 2 0 296.503 1.473 10 0 CDAERP C[C@H](c1cccnc1)[N@H+](C)CC1CC[NH+](CCO)CC1 ZINC000069952054 379320887 /nfs/dbraw/zinc/32/08/87/379320887.db2.gz HMGRBEMKJHLEIB-CQSZACIVSA-N 2 0 277.412 1.779 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000655909429 412913367 /nfs/dbraw/zinc/91/33/67/412913367.db2.gz JSOQSIMLZHTTKW-XBXGTLAGSA-N 2 0 276.384 1.607 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+][C@H]2CN(C)C[C@@H]2C)C12CCC2 ZINC000344282585 379405891 /nfs/dbraw/zinc/40/58/91/379405891.db2.gz FLPNNHZCSCONCY-XDQVBPFNSA-N 2 0 252.402 1.874 10 0 CDAERP Cc1cc(C[NH3+])cc(NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000655909635 412913623 /nfs/dbraw/zinc/91/36/23/412913623.db2.gz KBOOTWZFOGUJPS-OTVXOJSOSA-N 2 0 290.411 1.915 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000660647426 412916005 /nfs/dbraw/zinc/91/60/05/412916005.db2.gz DOZODPGUXZNZDB-INIZCTEOSA-N 2 0 298.471 1.705 10 0 CDAERP CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000655914070 412919436 /nfs/dbraw/zinc/91/94/36/412919436.db2.gz CFLUXBDJQZPXDB-ZJUUUORDSA-N 2 0 296.337 1.048 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000417012169 284806400 /nfs/dbraw/zinc/80/64/00/284806400.db2.gz VZNTVSAVFNOPPV-UKRRQHHQSA-N 2 0 298.475 1.924 10 0 CDAERP CN(CCC[NH3+])C(=O)CC[NH+]1CCc2ccccc2CC1 ZINC000079570769 184593238 /nfs/dbraw/zinc/59/32/38/184593238.db2.gz RAHLMJPACPKSLS-UHFFFAOYSA-N 2 0 289.423 1.285 10 0 CDAERP CCC(C)(C)[NH+]1CCN(C(=O)N[C@H](C)[C@H](C)[NH3+])CC1 ZINC000655968008 412969582 /nfs/dbraw/zinc/96/95/82/412969582.db2.gz KQDVSRQMJRYHIA-NWDGAFQWSA-N 2 0 270.421 1.238 10 0 CDAERP CCC(C)(C)[NH+]1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000655965393 412977070 /nfs/dbraw/zinc/97/70/70/412977070.db2.gz CQAYMSQEKRFGCT-UONOGXRCSA-N 2 0 296.459 1.500 10 0 CDAERP C[C@@H]([NH3+])C1CCN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000655970843 412983835 /nfs/dbraw/zinc/98/38/35/412983835.db2.gz MRBVUPQRYBXVIX-BZPMIXESSA-N 2 0 282.432 1.095 10 0 CDAERP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](O)C23CCC3)CN1C1CC1 ZINC000657703898 412990950 /nfs/dbraw/zinc/99/09/50/412990950.db2.gz CSGBQRAMACKTSV-XWUBHJNHSA-N 2 0 250.386 1.505 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CCN2CCC([NH+](C)C)CC2)[C@@H]1C ZINC000495077512 253683510 /nfs/dbraw/zinc/68/35/10/253683510.db2.gz DWNUDPNFTJHMRI-UMVBOHGHSA-N 2 0 253.434 1.647 10 0 CDAERP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662419418 412994387 /nfs/dbraw/zinc/99/43/87/412994387.db2.gz HSFHRWWTSPQHAP-VXGBXAGGSA-N 2 0 265.401 1.247 10 0 CDAERP C[NH+](C)CC1(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)CCCCC1 ZINC000646943566 390304501 /nfs/dbraw/zinc/30/45/01/390304501.db2.gz KFFXCWPLFKFRAY-CABCVRRESA-N 2 0 293.455 1.661 10 0 CDAERP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000647016549 390355928 /nfs/dbraw/zinc/35/59/28/390355928.db2.gz ODZPZJDCMAXHIJ-DOMZBBRYSA-N 2 0 275.396 1.619 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@]1(C)CCCC[C@@H]1O ZINC000422824043 285373274 /nfs/dbraw/zinc/37/32/74/285373274.db2.gz MSJZDXHCHPECKB-IHRRRGAJSA-N 2 0 258.406 1.271 10 0 CDAERP CN(C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000648149798 390414679 /nfs/dbraw/zinc/41/46/79/390414679.db2.gz CTRMILVOCXWZBY-MWDXBVQZSA-N 2 0 299.418 1.185 10 0 CDAERP COC(=O)[C@@H]1CCC[N@H+](CCCn2ccnc2)C1 ZINC000151987059 390531056 /nfs/dbraw/zinc/53/10/56/390531056.db2.gz PREZQECNRRWXSQ-GFCCVEGCSA-N 2 0 251.330 1.158 10 0 CDAERP C[NH+](C)Cc1ccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000082287805 390838952 /nfs/dbraw/zinc/83/89/52/390838952.db2.gz ORVRSTDZYWNPQM-OAHLLOKOSA-N 2 0 275.396 1.524 10 0 CDAERP Cn1cnc(CCC[NH2+]C2CC[NH+](CC3CC3)CC2)n1 ZINC000647325649 390939304 /nfs/dbraw/zinc/93/93/04/390939304.db2.gz LXTPMPAVBZFZNY-UHFFFAOYSA-N 2 0 277.416 1.212 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CCc3ccccc3[C@H]2C[NH3+])CC[N@@H+]1C ZINC000648199183 390949782 /nfs/dbraw/zinc/94/97/82/390949782.db2.gz BPIBGQMQIYQFJK-XNRPHZJLSA-N 2 0 287.407 1.411 10 0 CDAERP CC(C)(C)[NH2+]CCN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647479934 390966758 /nfs/dbraw/zinc/96/67/58/390966758.db2.gz YGFNWBPPCPUZQM-UONOGXRCSA-N 2 0 253.434 1.839 10 0 CDAERP CC(C)C[C@@H]([NH3+])C[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000415102172 391028889 /nfs/dbraw/zinc/02/88/89/391028889.db2.gz JMXUZWOUDKOBRG-MRXNPFEDSA-N 3 0 284.492 1.223 10 0 CDAERP Cc1nn(C)c(C)c1CC[NH2+]C1CCC(C[NH3+])CC1 ZINC000415075222 390983102 /nfs/dbraw/zinc/98/31/02/390983102.db2.gz BDNIDIBYPNDZFG-UHFFFAOYSA-N 2 0 264.417 1.687 10 0 CDAERP COC[C@@H]([NH2+]CCC[NH+]1CCCCC1)C1CCOCC1 ZINC000187710030 390990537 /nfs/dbraw/zinc/99/05/37/390990537.db2.gz IXTANTCEVANFPQ-MRXNPFEDSA-N 2 0 284.444 1.894 10 0 CDAERP C[C@@H]1C[NH2+]C[C@@H](N(CCC[NH3+])c2cccc(F)c2)C1 ZINC000647548444 390991311 /nfs/dbraw/zinc/99/13/11/390991311.db2.gz AWNUQIIPIFFWOI-WFASDCNBSA-N 2 0 265.376 1.979 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)NC[C@@H](C)C[NH2+]C)CC1 ZINC000417753569 391032433 /nfs/dbraw/zinc/03/24/33/391032433.db2.gz UITOGXAIXYCDKZ-ZDUSSCGKSA-N 2 0 284.448 1.263 10 0 CDAERP c1cncc([C@H]2C[NH2+]CCN2CCCC2CC[NH2+]CC2)c1 ZINC000647953286 391072954 /nfs/dbraw/zinc/07/29/54/391072954.db2.gz BFNWTCMRJNGGRB-QGZVFWFLSA-N 2 0 288.439 1.808 10 0 CDAERP CC(C)[C@H](C)NC(=O)C1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000647883364 391141376 /nfs/dbraw/zinc/14/13/76/391141376.db2.gz JWUFBGFGAGYAGB-KBPBESRZSA-N 2 0 281.444 1.469 10 0 CDAERP C[C@H](Cn1cncn1)[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000268866606 391227057 /nfs/dbraw/zinc/22/70/57/391227057.db2.gz COHKIKLAIYJHCK-BFYDXBDKSA-N 2 0 299.422 1.777 10 0 CDAERP C(C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)C1CC[NH2+]CC1 ZINC000647902766 391200566 /nfs/dbraw/zinc/20/05/66/391200566.db2.gz BZAFXYOVHLYYKG-HZPDHXFCSA-N 3 0 265.445 1.840 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH+](C)C)CC1 ZINC000416304807 391264730 /nfs/dbraw/zinc/26/47/30/391264730.db2.gz VVTRERQVTDIHKR-GFCCVEGCSA-N 2 0 253.390 1.071 10 0 CDAERP CC(C)([NH3+])CCC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000648104174 391336113 /nfs/dbraw/zinc/33/61/13/391336113.db2.gz OKJGZGBPAADJTH-CHWSQXEVSA-N 2 0 267.417 1.495 10 0 CDAERP C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)C1 ZINC000334494840 391329990 /nfs/dbraw/zinc/32/99/90/391329990.db2.gz KVOAKAOHKTVBPM-WBMJQRKESA-N 2 0 287.407 1.184 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000416796310 391330325 /nfs/dbraw/zinc/33/03/25/391330325.db2.gz WOHSTELGJUMARI-UWVGGRQHSA-N 2 0 270.421 1.331 10 0 CDAERP CC(C)C[C@@H]([NH3+])CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000414682522 391343331 /nfs/dbraw/zinc/34/33/31/391343331.db2.gz RIWMAZJIQCLHRS-MRXNPFEDSA-N 2 0 282.476 1.073 10 0 CDAERP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NCCC[NH3+])C1 ZINC000417226321 391347415 /nfs/dbraw/zinc/34/74/15/391347415.db2.gz ZRSHLBXVMPSAAO-STQMWFEESA-N 2 0 284.448 1.391 10 0 CDAERP CC(C)C[C@@H]([NH3+])CN1CC[NH+](CCOC(C)C)CC1 ZINC000414713642 391350592 /nfs/dbraw/zinc/35/05/92/391350592.db2.gz VARNGYUIYQLYGE-OAHLLOKOSA-N 2 0 271.449 1.402 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2Cc3ccccc3[C@@H]2O)[C@H](C)C1 ZINC000178355795 391359398 /nfs/dbraw/zinc/35/93/98/391359398.db2.gz NCZZFGNOYKPQLB-ZFVVBOAOSA-N 2 0 274.408 1.965 10 0 CDAERP C[N@@H+]1C[C@@H]2CCCN(C(=O)CC[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC000425318616 391368104 /nfs/dbraw/zinc/36/81/04/391368104.db2.gz BCBYAAHRQHTITF-HRCADAONSA-N 2 0 293.455 1.804 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000418056550 391372560 /nfs/dbraw/zinc/37/25/60/391372560.db2.gz KJQUFHOFTPYMQY-OLZOCXBDSA-N 2 0 292.427 1.326 10 0 CDAERP CN(C(=O)CC[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000354965901 391437916 /nfs/dbraw/zinc/43/79/16/391437916.db2.gz UFXJOOCUJVHIPD-HOCLYGCPSA-N 2 0 293.455 1.946 10 0 CDAERP COc1ncncc1C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000648003023 391449490 /nfs/dbraw/zinc/44/94/90/391449490.db2.gz BCGWADJPUVMTNQ-LLVKDONJSA-N 2 0 273.340 1.588 10 0 CDAERP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCSCC2)CC1 ZINC000411420890 391451676 /nfs/dbraw/zinc/45/16/76/391451676.db2.gz MDELJNNAMOTPHY-UHFFFAOYSA-N 2 0 285.457 1.026 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+][C@@H]1CC[C@@H]1SC ZINC000425337757 391463959 /nfs/dbraw/zinc/46/39/59/391463959.db2.gz NUWQSRKXLLHNKA-OLZOCXBDSA-N 2 0 260.447 1.828 10 0 CDAERP C[C@@H]1CCC[C@@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000335640834 391464802 /nfs/dbraw/zinc/46/48/02/391464802.db2.gz ATVCRQJNWKNTRF-LMPOIIKSSA-N 2 0 265.445 1.981 10 0 CDAERP CS[C@H]1CC[C@@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000425354367 391483283 /nfs/dbraw/zinc/48/32/83/391483283.db2.gz NQTJSLUUZPOKJE-KBPBESRZSA-N 2 0 271.474 1.496 10 0 CDAERP CCCC[C@H](C[NH3+])NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000418441831 391512663 /nfs/dbraw/zinc/51/26/63/391512663.db2.gz IXVOPJXGAGRWAB-BFHYXJOUSA-N 2 0 284.448 1.628 10 0 CDAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2COC2)[C@H](C)C1 ZINC000528025905 391584303 /nfs/dbraw/zinc/58/43/03/391584303.db2.gz PHTQBAXRXAVOOF-UKRRQHHQSA-N 2 0 270.417 1.359 10 0 CDAERP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000417554503 391655476 /nfs/dbraw/zinc/65/54/76/391655476.db2.gz JTEMJDWHJBMNRK-HZSPNIEDSA-N 2 0 284.448 1.676 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)NCC[N@H+](C)C2CC2)cc1 ZINC000417604510 391693961 /nfs/dbraw/zinc/69/39/61/391693961.db2.gz BTIGRIWFRDSAJG-LBPRGKRZSA-N 2 0 290.411 1.600 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000417609066 391696893 /nfs/dbraw/zinc/69/68/93/391696893.db2.gz JXMQPZWESAIRCA-CHWSQXEVSA-N 2 0 270.421 1.016 10 0 CDAERP CN1CC[C@H]([NH2+]C[C@H]2CC[NH2+]C2)[C@H]1c1ccc(F)c(F)c1 ZINC000647992509 391699389 /nfs/dbraw/zinc/69/93/89/391699389.db2.gz INLYIGNKWQONBP-KNXALSJPSA-N 2 0 295.377 1.909 10 0 CDAERP [NH3+]CCOCC[NH2+]C1(c2cccc(F)c2)CCC1 ZINC000647996291 391750935 /nfs/dbraw/zinc/75/09/35/391750935.db2.gz ODXVKXXERXFRTA-UHFFFAOYSA-N 2 0 252.333 1.770 10 0 CDAERP C[NH+](C)Cc1cc(CNC(=O)N2CC[C@@H]([NH3+])C2)ccc1F ZINC000417665737 391730550 /nfs/dbraw/zinc/73/05/50/391730550.db2.gz ZPYNZMMQNYIIBV-CYBMUJFWSA-N 2 0 294.374 1.130 10 0 CDAERP CC[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc(C[NH3+])cc1 ZINC000646010722 391899094 /nfs/dbraw/zinc/89/90/94/391899094.db2.gz DTZAGBKVWYNQTL-HNNXBMFYSA-N 2 0 275.396 1.750 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC000525107137 391948855 /nfs/dbraw/zinc/94/88/55/391948855.db2.gz MOOJVNVWKQCNCE-RDBSUJKOSA-N 2 0 267.417 1.127 10 0 CDAERP CCc1nccn1[C@@H](C)CC(=O)N(C)CCC[NH+](C)C ZINC000648852410 392089178 /nfs/dbraw/zinc/08/91/78/392089178.db2.gz BOBMSPWYXXEROX-ZDUSSCGKSA-N 2 0 280.416 1.807 10 0 CDAERP CC[C@@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@H]1N1CCOCC1 ZINC000262012525 392029327 /nfs/dbraw/zinc/02/93/27/392029327.db2.gz VGXJXENGNNUOHF-HZPDHXFCSA-N 2 0 281.444 1.029 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2=CCOCC2)[C@H]2CCC[C@H]21 ZINC000453297724 392030068 /nfs/dbraw/zinc/03/00/68/392030068.db2.gz TXWPLRRDJIMLTD-QLFBSQMISA-N 2 0 250.386 1.796 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000646190352 392148201 /nfs/dbraw/zinc/14/82/01/392148201.db2.gz SOHKFPOKRYIZEF-NEPJUHHUSA-N 2 0 255.406 1.077 10 0 CDAERP C1C[C@@H]2C[C@H]([NH2+][C@H]3CCO[C@]4(CCOC4)C3)CC[N@@H+]2C1 ZINC000251080987 392233225 /nfs/dbraw/zinc/23/32/25/392233225.db2.gz HAIFCIPIARBADD-QKPAOTATSA-N 2 0 280.412 1.541 10 0 CDAERP O=C(NCc1ccc2c[nH+]cn2c1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000457979281 392309614 /nfs/dbraw/zinc/30/96/14/392309614.db2.gz SIGQCWJPOUMMGV-OAHLLOKOSA-N 2 0 284.363 1.577 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)NC(C)C)[C@@H](C)C1 ZINC000252652790 392249152 /nfs/dbraw/zinc/24/91/52/392249152.db2.gz XPFCYPVGHLQFMR-UONOGXRCSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)[C@@H](O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000432873733 392288496 /nfs/dbraw/zinc/28/84/96/392288496.db2.gz RZALOHLJBWJMGJ-KRWDZBQOSA-N 2 0 298.471 1.828 10 0 CDAERP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000423103547 392346298 /nfs/dbraw/zinc/34/62/98/392346298.db2.gz LCQAGCPOTCNCNN-BDAKNGLRSA-N 2 0 259.300 1.898 10 0 CDAERP C1C[C@@H]2C[C@H]([NH2+][C@@H]3CCO[C@]4(CCOC4)C3)CC[N@@H+]2C1 ZINC000158069029 392413976 /nfs/dbraw/zinc/41/39/76/392413976.db2.gz HAIFCIPIARBADD-KLHDSHLOSA-N 2 0 280.412 1.541 10 0 CDAERP C[C@@H]([NH2+]CCC[NH3+])c1ccc(-n2cncn2)cc1Cl ZINC000423193495 392432076 /nfs/dbraw/zinc/43/20/76/392432076.db2.gz QUNOPIIOWNDVRJ-SNVBAGLBSA-N 2 0 279.775 1.920 10 0 CDAERP [NH3+][C@@H](CNC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000423252063 392470414 /nfs/dbraw/zinc/47/04/14/392470414.db2.gz SZUBTUVWVWHTDQ-INIZCTEOSA-N 2 0 259.397 1.903 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1cccc2c1CCCN2 ZINC000423408351 392558871 /nfs/dbraw/zinc/55/88/71/392558871.db2.gz ADTSHJNLGYXBKI-CQSZACIVSA-N 2 0 277.412 1.888 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCC2=CC[NH2+]CC2)[C@@H]2CCC[C@@H]21 ZINC000423539694 392583812 /nfs/dbraw/zinc/58/38/12/392583812.db2.gz PCFRIFFAYNEGAY-JYJNAYRXSA-N 3 0 263.429 1.759 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000646805989 392836875 /nfs/dbraw/zinc/83/68/75/392836875.db2.gz VNNGJKNYVCKPGG-HUBLWGQQSA-N 2 0 275.396 1.711 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)c2coc(C[NH3+])c2)cc1 ZINC000646806000 392836880 /nfs/dbraw/zinc/83/68/80/392836880.db2.gz XCALKHKIZUOFMG-JTQLQIEISA-N 2 0 273.336 1.688 10 0 CDAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251791598 140312771 /nfs/dbraw/zinc/31/27/71/140312771.db2.gz NLNINMKPZMFTQO-NIOBXDJOSA-N 2 0 291.439 1.602 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000251852836 140314431 /nfs/dbraw/zinc/31/44/31/140314431.db2.gz RPTDAADFDFWCBG-VNHYZAJKSA-N 2 0 265.401 1.071 10 0 CDAERP C[C@H](C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)[NH+]1CCCCCC1 ZINC000261929664 140409823 /nfs/dbraw/zinc/40/98/23/140409823.db2.gz ZVHNUVIVCXLYTQ-OAGGEKHMSA-N 2 0 293.455 1.709 10 0 CDAERP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656200548 413096974 /nfs/dbraw/zinc/09/69/74/413096974.db2.gz PFAXBTCZGJISGD-GUDUHZBBSA-N 2 0 281.444 1.357 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCOc2c(OC)cccc21 ZINC000656201633 413101055 /nfs/dbraw/zinc/10/10/55/413101055.db2.gz SOEFBKFFERIXKN-OCCSQVGLSA-N 2 0 294.395 1.862 10 0 CDAERP CCc1cc(NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc[nH+]1 ZINC000656211642 413111239 /nfs/dbraw/zinc/11/12/39/413111239.db2.gz XBJAHBQVUQXYOY-MCIONIFRSA-N 2 0 277.412 1.976 10 0 CDAERP CCC[NH2+]CCNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662549364 413115531 /nfs/dbraw/zinc/11/55/31/413115531.db2.gz NMWAIQZDIKFZLD-OAHLLOKOSA-N 2 0 289.423 1.795 10 0 CDAERP CN(CC(C)(C)[NH3+])C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000662601527 413174609 /nfs/dbraw/zinc/17/46/09/413174609.db2.gz JRQBDJVYCSKYTC-GFCCVEGCSA-N 2 0 255.406 1.447 10 0 CDAERP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC23CCCC3)CC1 ZINC000649655712 397889746 /nfs/dbraw/zinc/88/97/46/397889746.db2.gz MCWFBDAPZPQDOB-UHFFFAOYSA-N 2 0 279.428 1.605 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1 ZINC000651196502 397875932 /nfs/dbraw/zinc/87/59/32/397875932.db2.gz DCEHINIFCILGEG-LSDHHAIUSA-N 2 0 296.459 1.310 10 0 CDAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@@H]1C1CCCC1 ZINC000651263731 397897906 /nfs/dbraw/zinc/89/79/06/397897906.db2.gz DYOXJULRXWXXLK-HZPDHXFCSA-N 2 0 295.471 1.765 10 0 CDAERP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000120705472 398077027 /nfs/dbraw/zinc/07/70/27/398077027.db2.gz MAAVPPOBCGUUDE-CABCVRRESA-N 2 0 252.402 1.850 10 0 CDAERP CC(C)C[C@@H]([NH3+])C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000037826171 398111762 /nfs/dbraw/zinc/11/17/62/398111762.db2.gz VUZNHZMNHUTTQP-OAHLLOKOSA-N 2 0 281.444 1.694 10 0 CDAERP CN(CC(C)(C)[NH3+])C(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000662606112 413179389 /nfs/dbraw/zinc/17/93/89/413179389.db2.gz YZOFTLOZLKMTMB-GFCCVEGCSA-N 2 0 267.348 1.064 10 0 CDAERP CC[N@H+](CC(=O)N[C@H]1C[NH+](C(C)C)C[C@@H]1C)C1CC1 ZINC000153612929 289175453 /nfs/dbraw/zinc/17/54/53/289175453.db2.gz SKTQPPBRXUOHQL-JSGCOSHPSA-N 2 0 267.417 1.316 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000334890428 296583681 /nfs/dbraw/zinc/58/36/81/296583681.db2.gz VACAQHCRVUAMFF-TZMCWYRMSA-N 2 0 296.459 1.547 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000662619550 413201119 /nfs/dbraw/zinc/20/11/19/413201119.db2.gz MMDXZRHNFRCBNZ-CHWSQXEVSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1([NH3+])CCCCC1 ZINC000094460203 147088961 /nfs/dbraw/zinc/08/89/61/147088961.db2.gz ZQBLUZIYTKJVDZ-QWHCGFSZSA-N 2 0 265.401 1.343 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000658106252 413206510 /nfs/dbraw/zinc/20/65/10/413206510.db2.gz HCAQPTIZFVKSAV-CBBWQLFWSA-N 2 0 255.450 1.893 10 0 CDAERP CC(C)CC[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000105845864 147231348 /nfs/dbraw/zinc/23/13/48/147231348.db2.gz BOUWSYDEBJRRKX-QGZVFWFLSA-N 2 0 297.487 1.759 10 0 CDAERP COCCCC[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000117880188 147291928 /nfs/dbraw/zinc/29/19/28/147291928.db2.gz SAGXZFCNXDLPFT-CQSZACIVSA-N 2 0 272.433 1.438 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1cnccn1 ZINC000658109642 413211806 /nfs/dbraw/zinc/21/18/06/413211806.db2.gz UDNDHIRWIRAJAZ-KBPBESRZSA-N 2 0 279.432 1.399 10 0 CDAERP FC(F)(F)CN1CC[C@@H](C[NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000129116579 147614381 /nfs/dbraw/zinc/61/43/81/147614381.db2.gz FDHLTVXORRYCFR-RYUDHWBXSA-N 2 0 279.350 1.602 10 0 CDAERP Cc1c[nH+]ccc1N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000192578453 148583526 /nfs/dbraw/zinc/58/35/26/148583526.db2.gz GMQHMLFDENKNHU-MRXNPFEDSA-N 2 0 288.439 1.996 10 0 CDAERP CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)CC1 ZINC000262013302 149000597 /nfs/dbraw/zinc/00/05/97/149000597.db2.gz VVHJXZXQAADADY-BRWVUGGUSA-N 2 0 295.471 1.608 10 0 CDAERP C[C@@H]1C[C@@H](N(C)Cc2cnc(N)s2)CC[N@@H+]1C ZINC000262101900 149017782 /nfs/dbraw/zinc/01/77/82/149017782.db2.gz VQRZUWGRTPNUAA-ZJUUUORDSA-N 2 0 254.403 1.640 10 0 CDAERP O=C(NCC[C@@H]1CC[NH2+]C1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000262411064 149060587 /nfs/dbraw/zinc/06/05/87/149060587.db2.gz DINHFHSJGMKMDL-CRWXNKLISA-N 2 0 265.401 1.023 10 0 CDAERP COCC[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658143196 413231947 /nfs/dbraw/zinc/23/19/47/413231947.db2.gz XMFJESOSRQENPS-RHSMWYFYSA-N 2 0 292.423 1.768 10 0 CDAERP C[C@@H](CCNC(=O)C[C@H]1[NH2+]Cc2ccccc21)[NH+](C)C ZINC000662636116 413234124 /nfs/dbraw/zinc/23/41/24/413234124.db2.gz XVMNEYGKMPIFEN-SWLSCSKDSA-N 2 0 275.396 1.677 10 0 CDAERP COCC1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CC[NH2+]CC1 ZINC000423396226 292247674 /nfs/dbraw/zinc/24/76/74/292247674.db2.gz AYFPIOITDYLHDZ-BZUAXINKSA-N 3 0 295.471 1.465 10 0 CDAERP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000133729673 413271876 /nfs/dbraw/zinc/27/18/76/413271876.db2.gz CIGTUKJPQLHAIV-ZYHUDNBSSA-N 2 0 274.368 1.649 10 0 CDAERP C[NH+](C)CCCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000346127057 153061828 /nfs/dbraw/zinc/06/18/28/153061828.db2.gz IXVKNHCPQDFAEG-UHFFFAOYSA-N 2 0 277.412 1.820 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[NH2+]C(C)(C)C1 ZINC000346173997 153083723 /nfs/dbraw/zinc/08/37/23/153083723.db2.gz MZCCTNQRRFHBBD-UHFFFAOYSA-N 2 0 285.395 1.760 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000346984808 153368123 /nfs/dbraw/zinc/36/81/23/153368123.db2.gz QYLHTOPXRZJIRV-UMVBOHGHSA-N 2 0 279.428 1.412 10 0 CDAERP CC[NH+](CC)[C@H](CNC(=O)CC1([NH3+])CC1)CC(C)C ZINC000662674253 413294130 /nfs/dbraw/zinc/29/41/30/413294130.db2.gz YABJRZQSIVHVTQ-ZDUSSCGKSA-N 2 0 269.433 1.741 10 0 CDAERP CC(C)([NH3+])C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000662686448 413312440 /nfs/dbraw/zinc/31/24/40/413312440.db2.gz NPEBRYJJUHHBCW-GFCCVEGCSA-N 2 0 263.341 1.023 10 0 CDAERP CCC[NH2+][C@H](C)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000662686222 413311575 /nfs/dbraw/zinc/31/15/75/413311575.db2.gz KUFZXUULTWCOQI-DOMZBBRYSA-N 2 0 291.395 1.674 10 0 CDAERP CN(CC1C[NH+](C)C1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000664363662 413315221 /nfs/dbraw/zinc/31/52/21/413315221.db2.gz MQOSATCXJZASPX-UHFFFAOYSA-N 2 0 290.411 1.774 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000353759865 156066443 /nfs/dbraw/zinc/06/64/43/156066443.db2.gz OJEIIJCHUWVFDP-OAHLLOKOSA-N 2 0 293.455 1.948 10 0 CDAERP C[C@@H](NC(=O)c1cc(C(C)(C)[NH3+])no1)C(C)(C)C[NH+](C)C ZINC000662746919 413420926 /nfs/dbraw/zinc/42/09/26/413420926.db2.gz YUVRJHAUCORWNC-SNVBAGLBSA-N 2 0 296.415 1.575 10 0 CDAERP C[N@@H+]1CCCN(C[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000020217797 171081229 /nfs/dbraw/zinc/08/12/29/171081229.db2.gz BXTPPGUSMJKTGC-KKUMJFAQSA-N 2 0 251.418 1.545 10 0 CDAERP C[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000022156199 171362323 /nfs/dbraw/zinc/36/23/23/171362323.db2.gz CKPXKTLXSKLBST-GFCCVEGCSA-N 2 0 261.369 1.816 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000653211206 412139957 /nfs/dbraw/zinc/13/99/57/412139957.db2.gz QGQJSULAUBONNO-HNNXBMFYSA-N 2 0 261.369 1.022 10 0 CDAERP CCC[NH2+][C@H](C)C(=O)NCc1ccccc1C[NH2+]C ZINC000653214249 412141168 /nfs/dbraw/zinc/14/11/68/412141168.db2.gz MXYXLYAVUQSMML-GFCCVEGCSA-N 2 0 263.385 1.410 10 0 CDAERP C[C@@H](CC(=O)NCCC1(C[NH3+])CC1)C1CC[NH2+]CC1 ZINC000653215849 412143766 /nfs/dbraw/zinc/14/37/66/412143766.db2.gz DZRBENZNWFKFBS-LBPRGKRZSA-N 2 0 267.417 1.257 10 0 CDAERP CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654661848 413554172 /nfs/dbraw/zinc/55/41/72/413554172.db2.gz SBQGOMBWUFDSBC-OKILXGFUSA-N 2 0 296.459 1.452 10 0 CDAERP C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(C(C)(C)[NH3+])no2)CC1 ZINC000662792792 413509340 /nfs/dbraw/zinc/50/93/40/413509340.db2.gz HNNCNALEWZDXTL-LLVKDONJSA-N 2 0 294.399 1.425 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662795452 413514924 /nfs/dbraw/zinc/51/49/24/413514924.db2.gz PBGILUKPRMYTNQ-UHFFFAOYSA-N 2 0 282.388 1.282 10 0 CDAERP C[C@@H]1C[C@@H](C)N(C(=O)c2cc(C(C)(C)[NH3+])no2)C[C@H]1C[NH3+] ZINC000662817542 413539033 /nfs/dbraw/zinc/53/90/33/413539033.db2.gz IZLWDQAZOQIGDI-GMTAPVOTSA-N 2 0 294.399 1.314 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000654658388 413548615 /nfs/dbraw/zinc/54/86/15/413548615.db2.gz PDBCSPVCCZCJAZ-GASCZTMLSA-N 2 0 294.443 1.064 10 0 CDAERP CC[N@@H+]1C[C@H](C)N(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C[C@@H]1C ZINC000654662623 413555773 /nfs/dbraw/zinc/55/57/73/413555773.db2.gz WLRGRVIZAHSMSP-ZQDZILKHSA-N 2 0 296.459 1.451 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000654663345 413557498 /nfs/dbraw/zinc/55/74/98/413557498.db2.gz OTPBEULMIUQGIO-SOUVJXGZSA-N 2 0 296.459 1.451 10 0 CDAERP [NH3+]Cc1ccc(CNC(=O)C2([NH2+]C3CC3)CCC2)c(F)c1 ZINC000662828931 413560484 /nfs/dbraw/zinc/56/04/84/413560484.db2.gz IGXJNVMXPHMUAX-UHFFFAOYSA-N 2 0 291.370 1.575 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000662868160 413629444 /nfs/dbraw/zinc/62/94/44/413629444.db2.gz VMQOXSXBDGZOLB-HZPDHXFCSA-N 2 0 289.423 1.590 10 0 CDAERP CN(C)C(=O)[C@@H]1CCC[N@@H+]1[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000036128527 172449925 /nfs/dbraw/zinc/44/99/25/172449925.db2.gz QQEAFXIFSPYNRR-UPJWGTAASA-N 2 0 253.390 1.057 10 0 CDAERP [NH3+]C[C@@H](NCc1ccc2c(c1)C[NH2+]CC2)C(F)(F)F ZINC000656784753 413653305 /nfs/dbraw/zinc/65/33/05/413653305.db2.gz CDGIQOYLURFXOR-GFCCVEGCSA-N 2 0 273.302 1.312 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000659292465 413683918 /nfs/dbraw/zinc/68/39/18/413683918.db2.gz PZBLVBRQBPPUHK-IHRRRGAJSA-N 2 0 285.432 1.118 10 0 CDAERP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000659303758 413694317 /nfs/dbraw/zinc/69/43/17/413694317.db2.gz VHXJRYFNCGPXOJ-LALPHHSUSA-N 2 0 273.380 1.417 10 0 CDAERP CC[N@H+](C)C[C@H](O)CN1Cc2c[nH]nc2CC(C)(C)C1 ZINC000664864312 413698808 /nfs/dbraw/zinc/69/88/08/413698808.db2.gz LIYBYVCOQSRZFQ-ZDUSSCGKSA-N 2 0 280.416 1.107 10 0 CDAERP C[C@@H](CNC(=O)NCC12CC(C1)C[NH2+]2)C[NH+]1CCCCC1 ZINC000659440896 413825480 /nfs/dbraw/zinc/82/54/80/413825480.db2.gz WPCZBCKCVHHRGB-HLIUYOAVSA-N 2 0 294.443 1.160 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407255515 413913235 /nfs/dbraw/zinc/91/32/35/413913235.db2.gz IPTQABQLZHFMCK-YUTCNCBUSA-N 2 0 267.417 1.364 10 0 CDAERP C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1cnn(C)c1)[C@H]1CCC[NH2+]1 ZINC000665273119 414006336 /nfs/dbraw/zinc/00/63/36/414006336.db2.gz QFPMFTLKOTVJSB-ARLBYUKCSA-N 2 0 276.428 1.861 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)C1 ZINC000665274796 414012534 /nfs/dbraw/zinc/01/25/34/414012534.db2.gz YMTGDLGXIMABTG-KLHDSHLOSA-N 2 0 293.455 1.489 10 0 CDAERP [NH3+]CCCN(CC1CCCC1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659612106 414017597 /nfs/dbraw/zinc/01/75/97/414017597.db2.gz SQERWKIQJZUGDY-UHFFFAOYSA-N 2 0 294.443 1.289 10 0 CDAERP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000665281207 414018157 /nfs/dbraw/zinc/01/81/57/414018157.db2.gz XFJAVXLMAHJZFN-BXUZGUMPSA-N 2 0 299.440 1.358 10 0 CDAERP C[C@@H]([NH2+]CCc1ccnc2ccccc12)C1C[NH2+]C1 ZINC000665238720 413967585 /nfs/dbraw/zinc/96/75/85/413967585.db2.gz BJVPPUYRRKIBSW-GFCCVEGCSA-N 2 0 255.365 1.975 10 0 CDAERP FC1(F)C[C@@H]1OCC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000665243912 413977735 /nfs/dbraw/zinc/97/77/35/413977735.db2.gz AXLXPIBAXFCLHL-LOWDOPEQSA-N 2 0 290.354 1.157 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2ccoc2)CC1 ZINC000665287850 414023926 /nfs/dbraw/zinc/02/39/26/414023926.db2.gz WLZKGQXYGOSFKA-CYBMUJFWSA-N 2 0 293.411 1.921 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2C[C@H](C)[C@H]2C)CC1 ZINC000665288979 414025614 /nfs/dbraw/zinc/02/56/14/414025614.db2.gz CGYUDZXBJMSPSM-GZBFAFLISA-N 2 0 281.444 1.611 10 0 CDAERP C[NH+](C)CC(C)(C)CNCc1ccnn1-c1cc[nH+]cc1 ZINC000657285292 414106438 /nfs/dbraw/zinc/10/64/38/414106438.db2.gz BKBJULKDTRMVPB-UHFFFAOYSA-N 2 0 287.411 1.945 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cc(C(N)=O)cs2)C1 ZINC000655827330 414237906 /nfs/dbraw/zinc/23/79/06/414237906.db2.gz SFUZKEFJQAXNEG-JGZJWPJOSA-N 2 0 267.398 1.277 10 0 CDAERP CCC[NH+]1CCC([C@@H](C)[NH2+]CC(OC)OC)CC1 ZINC000037566706 173514192 /nfs/dbraw/zinc/51/41/92/173514192.db2.gz SIYNDLAULWIWAV-GFCCVEGCSA-N 2 0 258.406 1.705 10 0 CDAERP CC[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCCOC)CC2)CO1 ZINC000657343504 414185273 /nfs/dbraw/zinc/18/52/73/414185273.db2.gz PEQDOEZJHYSFGU-CABCVRRESA-N 2 0 270.417 1.644 10 0 CDAERP CCn1ccnc1[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655803849 414198034 /nfs/dbraw/zinc/19/80/34/414198034.db2.gz FDYDRCPQRXXKCJ-UPJWGTAASA-N 2 0 250.390 1.894 10 0 CDAERP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)C(C)(C)n1cncn1 ZINC000655804456 414198414 /nfs/dbraw/zinc/19/84/14/414198414.db2.gz ZAZJFWNQBMGTBW-RWMBFGLXSA-N 2 0 265.405 1.332 10 0 CDAERP O[C@H]1CCC[C@H](C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657374055 414238717 /nfs/dbraw/zinc/23/87/17/414238717.db2.gz IDYFZOBGKXIWMT-BBRMVZONSA-N 2 0 286.379 1.908 10 0 CDAERP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cn1 ZINC000655803904 414198889 /nfs/dbraw/zinc/19/88/89/414198889.db2.gz HKYVLAGWLNCJMQ-YUELXQCFSA-N 2 0 277.412 1.951 10 0 CDAERP CC[C@](C)(O)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657354902 414203943 /nfs/dbraw/zinc/20/39/43/414203943.db2.gz YDGDHUPNMTWOCP-AWEZNQCLSA-N 2 0 260.341 1.518 10 0 CDAERP CC(C)C[C@@H]([NH3+])CN1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000663513101 414316173 /nfs/dbraw/zinc/31/61/73/414316173.db2.gz IGSSTSKCVSDQRR-CABCVRRESA-N 2 0 271.449 1.402 10 0 CDAERP C[C@@H](CCc1ccccc1)CN1CCOC2(C[NH2+]C2)C1 ZINC000663512432 414316606 /nfs/dbraw/zinc/31/66/06/414316606.db2.gz LRMJKBXTNUJZIK-HNNXBMFYSA-N 2 0 274.408 1.930 10 0 CDAERP C[C@@H]([NH3+])C1CCN(Cc2nc3c(s2)C[NH2+]CC3)CC1 ZINC000663494948 414293421 /nfs/dbraw/zinc/29/34/21/414293421.db2.gz LTJAXOIERHCSRH-SNVBAGLBSA-N 2 0 280.441 1.348 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+]CC2(C)CCC2)CC1 ZINC000663506139 414304712 /nfs/dbraw/zinc/30/47/12/414304712.db2.gz QNOWMACMPUSRHH-UHFFFAOYSA-N 2 0 281.444 1.757 10 0 CDAERP CO[C@H](C[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCOC1 ZINC000660003106 414343933 /nfs/dbraw/zinc/34/39/33/414343933.db2.gz DWQDOKCAJYDMQY-GDBMZVCRSA-N 2 0 291.395 1.255 10 0 CDAERP C[N@@H+](Cc1ccc(F)c(F)c1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662250870 414584617 /nfs/dbraw/zinc/58/46/17/414584617.db2.gz QICUXZJXMRWYKJ-GFCCVEGCSA-N 2 0 282.334 1.918 10 0 CDAERP CC[C@@H]1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCS1 ZINC000662255785 414590358 /nfs/dbraw/zinc/59/03/58/414590358.db2.gz RNDBNPHMFXVRDO-NWDGAFQWSA-N 2 0 256.415 1.335 10 0 CDAERP C[C@H](c1cccc(O)c1)[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662257759 414591456 /nfs/dbraw/zinc/59/14/56/414591456.db2.gz PSOMLUGGIBSGCK-DOMZBBRYSA-N 2 0 276.380 1.906 10 0 CDAERP Cc1ccccc1C[NH+]1CCN(C[C@H]2C[NH2+]CCO2)CC1 ZINC000662258078 414592859 /nfs/dbraw/zinc/59/28/59/414592859.db2.gz HYTRSNDLLGQBDB-QGZVFWFLSA-N 2 0 289.423 1.101 10 0 CDAERP CC(C)n1nnnc1C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662315536 414633076 /nfs/dbraw/zinc/63/30/76/414633076.db2.gz HNAFCLLDBUWKQT-CHWSQXEVSA-N 2 0 280.420 1.593 10 0 CDAERP COc1ccc([C@H](C[NH3+])C[N@@H+]2CC[C@@H]3COC[C@H]3C2)cc1 ZINC000662316170 414635565 /nfs/dbraw/zinc/63/55/65/414635565.db2.gz JBQFYGGIMQKUFD-BZUAXINKSA-N 2 0 290.407 1.706 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCCC[NH2+]1)[NH+]1CCCCC1 ZINC000038029425 174020568 /nfs/dbraw/zinc/02/05/68/174020568.db2.gz DUGSFUYPROWZAH-CHWSQXEVSA-N 2 0 253.390 1.119 10 0 CDAERP COCC[C@H](C)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319477 414638230 /nfs/dbraw/zinc/63/82/30/414638230.db2.gz IKUOFPYZSUYLFE-UONOGXRCSA-N 2 0 258.406 1.454 10 0 CDAERP C[C@H](c1ccccn1)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508104 174302987 /nfs/dbraw/zinc/30/29/87/174302987.db2.gz ZWAPOWCCQFDMDK-UKRRQHHQSA-N 2 0 288.395 1.039 10 0 CDAERP C[C@@H]([NH3+])[C@H](c1cccc(Cl)c1)N1CC[NH+](C)CC1 ZINC000042974918 174938716 /nfs/dbraw/zinc/93/87/16/174938716.db2.gz FPHIWJOYLLVEHW-BXUZGUMPSA-N 2 0 267.804 1.976 10 0 CDAERP CC[C@H]([NH3+])[C@H](c1ccncc1)N(C)C1CC[NH+](C)CC1 ZINC000043353029 175020043 /nfs/dbraw/zinc/02/00/43/175020043.db2.gz FJVATYDOQJAOMZ-HOTGVXAUSA-N 2 0 276.428 1.886 10 0 CDAERP CC[NH+]1CCN([C@H](C[NH3+])c2cc(C)cc(C)c2)CC1 ZINC000043393893 175034770 /nfs/dbraw/zinc/03/47/70/175034770.db2.gz VOAMWHOWKVZFPG-MRXNPFEDSA-N 2 0 261.413 1.941 10 0 CDAERP CC[C@H](C)NC(=O)[C@H](C)[N@H+](CCC[NH3+])CC(C)C ZINC000043417340 175038207 /nfs/dbraw/zinc/03/82/07/175038207.db2.gz ISIKKEIYDJJXFP-STQMWFEESA-N 2 0 257.422 1.596 10 0 CDAERP COc1ccccc1C[N@@H+]1CCCN(CC[NH3+])CC1 ZINC000043457210 175049848 /nfs/dbraw/zinc/04/98/48/175049848.db2.gz KZEBKAHFTAMKKE-UHFFFAOYSA-N 2 0 263.385 1.162 10 0 CDAERP Cc1ccnc(N2CCC[N@H+](CCCC[NH3+])CC2)c1 ZINC000043561290 175066270 /nfs/dbraw/zinc/06/62/70/175066270.db2.gz NZLOZKQWXFRNNR-UHFFFAOYSA-N 2 0 262.401 1.641 10 0 CDAERP CCC[N@H+](C[C@@H](C)C(=O)OCC)C1CC[NH2+]CC1 ZINC000043612915 175079039 /nfs/dbraw/zinc/07/90/39/175079039.db2.gz XPKYTVVOUOYASQ-GFCCVEGCSA-N 2 0 256.390 1.650 10 0 CDAERP CCC[NH2+][C@@H]1CCCC[C@@H]1N1CC[NH+](CC)CC1 ZINC000043806240 175108648 /nfs/dbraw/zinc/10/86/48/175108648.db2.gz FKQDTIZYJXCUDU-CABCVRRESA-N 2 0 253.434 1.935 10 0 CDAERP C[NH2+][C@H]1c2ccccc2CC[C@@H]1N1CC[NH+](C)CC1 ZINC000043810615 175109747 /nfs/dbraw/zinc/10/97/47/175109747.db2.gz DUZZSGQBBHPURW-HOTGVXAUSA-N 2 0 259.397 1.509 10 0 CDAERP CC[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1OCC ZINC000043810815 175110090 /nfs/dbraw/zinc/11/00/90/175110090.db2.gz WBEVIWRIMUDLJJ-INIZCTEOSA-N 2 0 291.439 1.983 10 0 CDAERP CC[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1OC ZINC000043810719 175110154 /nfs/dbraw/zinc/11/01/54/175110154.db2.gz HAUUXKMYYVLQTJ-HNNXBMFYSA-N 2 0 277.412 1.593 10 0 CDAERP CC[NH2+][C@H]1CCCCCC[C@H]1N1CC[NH+](C)CC1 ZINC000043810728 175110401 /nfs/dbraw/zinc/11/04/01/175110401.db2.gz KWLZMYOTHUMTDM-LSDHHAIUSA-N 2 0 253.434 1.935 10 0 CDAERP C[NH2+][C@H]1c2ccccc2OC[C@H]1N1CCC[N@H+](C)CC1 ZINC000043818233 175112920 /nfs/dbraw/zinc/11/29/20/175112920.db2.gz ARNAYQPOAPWWRD-ZBFHGGJFSA-N 2 0 275.396 1.346 10 0 CDAERP C[NH2+][C@@H]1c2ccccc2OC[C@@H]1N1CCC([NH+](C)C)CC1 ZINC000043897350 175119983 /nfs/dbraw/zinc/11/99/83/175119983.db2.gz IBFQIAHSNLYYDA-DOTOQJQBSA-N 2 0 289.423 1.734 10 0 CDAERP C[NH+]1CCC(C[NH2+]C[C@@H](O)COC2CCCCC2)CC1 ZINC000044518082 175190936 /nfs/dbraw/zinc/19/09/36/175190936.db2.gz FLYIYIROOPJECD-OAHLLOKOSA-N 2 0 284.444 1.628 10 0 CDAERP CC[NH2+][C@@H]1CCN([C@@H]2CC[N@@H+](C3CC3)C2)C[C@@H]1C ZINC000044725437 175237860 /nfs/dbraw/zinc/23/78/60/175237860.db2.gz HPSGPKYKCYZXPJ-NWANDNLSSA-N 2 0 251.418 1.543 10 0 CDAERP CCCC(C[NH3+])(CCC)C(=O)N[C@@H]1CC[N@H+](C)C1 ZINC000044805325 175256722 /nfs/dbraw/zinc/25/67/22/175256722.db2.gz UNSWDRZBPBHYSV-GFCCVEGCSA-N 2 0 255.406 1.352 10 0 CDAERP CC(C)OC[C@@H](O)C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000045134830 175312998 /nfs/dbraw/zinc/31/29/98/175312998.db2.gz RHWPZBLUZYZSNF-KGLIPLIRSA-N 2 0 258.406 1.092 10 0 CDAERP CC(C)[C@@H](C[NH3+])C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000045135573 175313573 /nfs/dbraw/zinc/31/35/73/175313573.db2.gz FJYICNQQNLDRKL-CHWSQXEVSA-N 2 0 255.406 1.064 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000045138698 175314591 /nfs/dbraw/zinc/31/45/91/175314591.db2.gz MWQRBDVRKLQOII-CQSZACIVSA-N 2 0 290.411 1.997 10 0 CDAERP CC(C)[NH2+][C@@](C)(CCC[N@@H+]1CCC[C@@H]1C)C(N)=O ZINC000045367965 175362840 /nfs/dbraw/zinc/36/28/40/175362840.db2.gz YWOGUMVXINMWQW-JSGCOSHPSA-N 2 0 255.406 1.493 10 0 CDAERP CC(C)[NH2+][C@@](C)(CCCC[N@@H+]1CCC[C@@H]1C)C(N)=O ZINC000045367833 175362876 /nfs/dbraw/zinc/36/28/76/175362876.db2.gz GRUKOBYSMYBRQD-ZFWWWQNUSA-N 2 0 269.433 1.883 10 0 CDAERP CC[NH2+][C@](C)(CCCC[NH+]1CCCCCC1)C(N)=O ZINC000045377461 175366930 /nfs/dbraw/zinc/36/69/30/175366930.db2.gz SJRMEISYNWXAKV-OAHLLOKOSA-N 2 0 269.433 1.886 10 0 CDAERP CCC[NH2+][C@@](C)(CCCC[N@H+](C)CC(C)C)C(N)=O ZINC000045380888 175369769 /nfs/dbraw/zinc/36/97/69/175369769.db2.gz DCTGINDUPILTNU-HNNXBMFYSA-N 2 0 271.449 1.988 10 0 CDAERP C[N@H+](CCCC[C@@](C)([NH2+]C1CC1)C(N)=O)C1CC1 ZINC000045383261 175371217 /nfs/dbraw/zinc/37/12/17/175371217.db2.gz XGYOFBXNLRZDFW-CQSZACIVSA-N 2 0 253.390 1.247 10 0 CDAERP CC[NH2+][C@@](C)(CCC[N@H+](C)C(CC)CC)C(N)=O ZINC000045391613 175374786 /nfs/dbraw/zinc/37/47/86/175374786.db2.gz ZUXGBFPCYQOEGJ-AWEZNQCLSA-N 2 0 257.422 1.741 10 0 CDAERP CCC[NH2+][C@H]1CCCN([C@H](CC(C)C)C[NH+](C)C)C1=O ZINC000071031993 176023087 /nfs/dbraw/zinc/02/30/87/176023087.db2.gz VYJOUISTYMYNHB-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CCC[NH2+][C@H]1CCCN([C@@H]2C[NH+]3CCC2CC3)C1=O ZINC000071032864 176023600 /nfs/dbraw/zinc/02/36/00/176023600.db2.gz LJNYCSPDSVVULY-UONOGXRCSA-N 2 0 265.401 1.071 10 0 CDAERP CC[NH2+][C@H]1CCCN([C@@H](C[NH+](C)C)C(C)C)C1=O ZINC000071034283 176024175 /nfs/dbraw/zinc/02/41/75/176024175.db2.gz XEZJAACNUOGWGC-STQMWFEESA-N 2 0 255.406 1.173 10 0 CDAERP CCC[NH2+][C@@H]1CCCN(C[C@H]2CC[N@@H+](C(C)C)C2)C1=O ZINC000071035246 176024564 /nfs/dbraw/zinc/02/45/64/176024564.db2.gz IZCUDHWENLNFDH-LSDHHAIUSA-N 2 0 281.444 1.707 10 0 CDAERP CC[NH+](CC)C[C@@H](C)N1CC[C@H]([NH2+]C2CC2)C1=O ZINC000071034710 176024627 /nfs/dbraw/zinc/02/46/27/176024627.db2.gz MKJDWTGZSZOYJU-YPMHNXCESA-N 2 0 253.390 1.070 10 0 CDAERP CCC[NH2+][C@H]1CCCN(CC2CC[NH+](C)CC2)C1=O ZINC000071035016 176024737 /nfs/dbraw/zinc/02/47/37/176024737.db2.gz IZLHZXIYADVWAP-AWEZNQCLSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)[NH2+][C@H]1CCN(C[C@@H]2CC[N@@H+](C(C)C)C2)C1=O ZINC000071035233 176024905 /nfs/dbraw/zinc/02/49/05/176024905.db2.gz DZWPDDQUELPTCS-KGLIPLIRSA-N 2 0 267.417 1.316 10 0 CDAERP CC[C@@H]1CCC[C@](C[NH3+])(N2CC[C@H]([NH+](C)C)C2)C1 ZINC000071124803 176035295 /nfs/dbraw/zinc/03/52/95/176035295.db2.gz OYTGFUASKOLELI-ILXRZTDVSA-N 2 0 253.434 1.920 10 0 CDAERP CCN(CC)C(=O)CCC[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000071145428 176042190 /nfs/dbraw/zinc/04/21/90/176042190.db2.gz IPAOSXKTAMDIKD-CYBMUJFWSA-N 2 0 255.406 1.176 10 0 CDAERP Cc1cc(N)ccc1NC(=O)CN(C)C[C@H]1CC[N@H+](C)C1 ZINC000071187663 176060667 /nfs/dbraw/zinc/06/06/67/176060667.db2.gz UBGJGOXLTDNUQE-ZDUSSCGKSA-N 2 0 290.411 1.399 10 0 CDAERP CN(CC(=O)Nc1ccc(F)cc1N)C[C@H]1CC[N@H+](C)C1 ZINC000071187666 176060775 /nfs/dbraw/zinc/06/07/75/176060775.db2.gz GLXMMIVAQCFBPO-NSHDSACASA-N 2 0 294.374 1.230 10 0 CDAERP CN(CC(=O)Nc1cccc(N)c1)C[C@H]1CC[N@H+](C)C1 ZINC000071187644 176060829 /nfs/dbraw/zinc/06/08/29/176060829.db2.gz WDLSYQHQXGHEAL-LBPRGKRZSA-N 2 0 276.384 1.091 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)[C@@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000071188347 176062607 /nfs/dbraw/zinc/06/26/07/176062607.db2.gz URXIHOZXEUYEGL-CJNGLKHVSA-N 2 0 289.423 1.505 10 0 CDAERP CN(C[C@H]1CC[N@H+](C)C1)[C@@H]1CCCCC[C@@H]1C[NH3+] ZINC000071188202 176062988 /nfs/dbraw/zinc/06/29/88/176062988.db2.gz HJYFMHQHIYDTTM-RRFJBIMHSA-N 2 0 253.434 1.778 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)[C@@H]1CCCCC[C@@H]1C[NH3+] ZINC000071188203 176063115 /nfs/dbraw/zinc/06/31/15/176063115.db2.gz HJYFMHQHIYDTTM-RBSFLKMASA-N 2 0 253.434 1.778 10 0 CDAERP C[C@H]([C@@H]([NH3+])c1ccccc1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188741 176063693 /nfs/dbraw/zinc/06/36/93/176063693.db2.gz VRYPPXZXXXNQMH-IIAWOOMASA-N 2 0 261.413 1.958 10 0 CDAERP CC[NH2+][C@@H]1CCCC[C@@H]1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188820 176063762 /nfs/dbraw/zinc/06/37/62/176063762.db2.gz DWPFUQWCSKHMGE-KFWWJZLASA-N 2 0 253.434 1.791 10 0 CDAERP C[NH2+][C@H](CN(C)C[C@@H]1CC[N@H+](C)C1)c1cccc(OC)c1 ZINC000071188849 176064012 /nfs/dbraw/zinc/06/40/12/176064012.db2.gz YDRQOXLKUXZPQG-RHSMWYFYSA-N 2 0 291.439 1.839 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)[C@H]([NH3+])c1ccccc1 ZINC000071189584 176065550 /nfs/dbraw/zinc/06/55/50/176065550.db2.gz JRBYBPCVCAKHOS-TZMCWYRMSA-N 2 0 261.369 1.097 10 0 CDAERP CCC[NH2+][C@@](C)(CCC[N@H+](C)C[C@@H]1CC[NH+](C)C1)C(=O)[O-] ZINC000071190896 176068577 /nfs/dbraw/zinc/06/85/77/176068577.db2.gz CRLFJVSUGZAZHR-HOCLYGCPSA-N 2 0 299.459 1.493 10 0 CDAERP CN(Cc1[nH+]c(NN)ccc1Cl)C[C@@H]1CC[N@H+](C)C1 ZINC000071191171 176070451 /nfs/dbraw/zinc/07/04/51/176070451.db2.gz IKWMDJUJTKLEKX-SNVBAGLBSA-N 2 0 283.807 1.404 10 0 CDAERP C[NH2+][C@@H]1CCCC[C@@H]1CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191390 176070569 /nfs/dbraw/zinc/07/05/69/176070569.db2.gz NGMSZCLOIDADHE-RBSFLKMASA-N 2 0 253.434 1.648 10 0 CDAERP C[NH2+]Cc1nc(CN(C)C[C@H]2CC[N@H+](C)C2)cs1 ZINC000071192009 176071537 /nfs/dbraw/zinc/07/15/37/176071537.db2.gz PIABFZMZYRYWNC-NSHDSACASA-N 2 0 268.430 1.246 10 0 CDAERP COC1CC[NH+](Cc2ccc(F)cc2C[NH3+])CC1 ZINC000071250252 176095014 /nfs/dbraw/zinc/09/50/14/176095014.db2.gz LIEYIRXBVMFKOB-UHFFFAOYSA-N 2 0 252.333 1.895 10 0 CDAERP CN([C@@H]1CC[NH2+]C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000071309508 176116677 /nfs/dbraw/zinc/11/66/77/176116677.db2.gz DWPZGXGSBIHYNM-QGZVFWFLSA-N 2 0 273.424 1.945 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000417931526 227217955 /nfs/dbraw/zinc/21/79/55/227217955.db2.gz LKYRCVIICIILRF-SHARSMKWSA-N 2 0 296.459 1.406 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001666547418 1173150424 /nfs/dbraw/zinc/15/04/24/1173150424.db2.gz WGHXZUAJRCWEFH-ZBFHGGJFSA-N 2 0 295.471 1.716 10 0 CDAERP C[C@H]1CC[N@H+](Cc2ccc(-n3cncn3)cc2)C[C@@H]1C[NH3+] ZINC000415138172 263276108 /nfs/dbraw/zinc/27/61/08/263276108.db2.gz YMHXHUOVVCFXOZ-ZFWWWQNUSA-N 2 0 285.395 1.684 10 0 CDAERP O=C(CC[NH2+]C1CC1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000655447034 423868163 /nfs/dbraw/zinc/86/81/63/423868163.db2.gz JCUSNZICUVDWOB-UHFFFAOYSA-N 2 0 271.324 1.348 10 0 CDAERP CC[NH+]1CCC([NH2+]C[C@@]2(CO)CCc3ccccc32)CC1 ZINC000651885041 423851607 /nfs/dbraw/zinc/85/16/07/423851607.db2.gz WHAICCLZVDKPRT-GOSISDBHSA-N 2 0 288.435 1.937 10 0 CDAERP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NCCC1CC[NH2+]CC1 ZINC000653268579 423988346 /nfs/dbraw/zinc/98/83/46/423988346.db2.gz UBUHVNHBNWDGSX-GJZGRUSLSA-N 2 0 281.444 1.790 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N[C@@H](C)CCCC[NH3+] ZINC000652220086 424094701 /nfs/dbraw/zinc/09/47/01/424094701.db2.gz UCWJHYLQMPECDD-ZDUSSCGKSA-N 2 0 292.427 1.723 10 0 CDAERP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662589803 424205381 /nfs/dbraw/zinc/20/53/81/424205381.db2.gz FHRSMQUBIBZXHE-BFHYXJOUSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662622618 424243839 /nfs/dbraw/zinc/24/38/39/424243839.db2.gz SRSICEUZCYUNJI-AVGNSLFASA-N 2 0 267.417 1.364 10 0 CDAERP O[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000093461775 265180328 /nfs/dbraw/zinc/18/03/28/265180328.db2.gz PYFIOPGRIKYGOQ-XPABHHOTSA-N 2 0 252.402 1.658 10 0 CDAERP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1([NH2+]C2CC2)CCC1 ZINC000662681408 424307611 /nfs/dbraw/zinc/30/76/11/424307611.db2.gz GOKDKQGAQHHBEB-ZIAGYGMSSA-N 2 0 277.412 1.404 10 0 CDAERP CC(C)OCC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652360468 424324992 /nfs/dbraw/zinc/32/49/92/424324992.db2.gz IWNBIUWQHYYFKM-RRFJBIMHSA-N 2 0 270.417 1.772 10 0 CDAERP [NH3+]C1(CC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CC1 ZINC000662778241 424443478 /nfs/dbraw/zinc/44/34/78/424443478.db2.gz YSHSCONTUYZITD-UHFFFAOYSA-N 2 0 263.316 1.291 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000662811748 424501222 /nfs/dbraw/zinc/50/12/22/424501222.db2.gz BDXXJDWHMKDJMS-XHSDSOJGSA-N 2 0 295.471 1.988 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H](C[NH3+])c2ccccc2)C1 ZINC000655488583 424507807 /nfs/dbraw/zinc/50/78/07/424507807.db2.gz CUEMYNYPLUGAQR-CFVMTHIKSA-N 2 0 275.396 1.185 10 0 CDAERP c1nc(C2CC2)ncc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000459365389 270394743 /nfs/dbraw/zinc/39/47/43/270394743.db2.gz BCQHBVQGRKSFTI-UHFFFAOYSA-N 2 0 290.411 1.556 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000515351633 270434302 /nfs/dbraw/zinc/43/43/02/270434302.db2.gz NUOMOVPUSNRILD-KCQAQPDRSA-N 2 0 290.411 1.146 10 0 CDAERP CN1C(=O)c2ccccc2[C@@H]1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000530222098 271163668 /nfs/dbraw/zinc/16/36/68/271163668.db2.gz FQMOMYGMZSERFN-RCBQFDQVSA-N 2 0 287.407 1.920 10 0 CDAERP O[C@@H](CNC[C@@H]1CC[N@@H+]1C1CCCCC1)C[NH+]1CCCC1 ZINC000530236741 271176908 /nfs/dbraw/zinc/17/69/08/271176908.db2.gz QROCKVTXJSXDRO-IRXDYDNUSA-N 2 0 295.471 1.440 10 0 CDAERP CCOCC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530236928 271176956 /nfs/dbraw/zinc/17/69/56/271176956.db2.gz AGARPXIPOGYEFP-AWEZNQCLSA-N 2 0 256.390 1.113 10 0 CDAERP CCC(O)(CC)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000368608458 276214010 /nfs/dbraw/zinc/21/40/10/276214010.db2.gz OYQAZCSAQRKDJQ-MGPQQGTHSA-N 2 0 254.418 2.000 10 0 CDAERP CC(C)(C)[C@H]([NH3+])C(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000373039346 277248310 /nfs/dbraw/zinc/24/83/10/277248310.db2.gz DAWGTTIFMQOSGT-UONOGXRCSA-N 2 0 281.444 1.837 10 0 CDAERP COC[C@@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000106853296 277249615 /nfs/dbraw/zinc/24/96/15/277249615.db2.gz MONGLGSQUFTSFX-JYJNAYRXSA-N 2 0 284.444 1.580 10 0 CDAERP CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000333900507 277384996 /nfs/dbraw/zinc/38/49/96/277384996.db2.gz ISUPKWFKGHRHTF-OAHLLOKOSA-N 2 0 296.459 1.548 10 0 CDAERP C[C@H](CC[NH2+]Cc1cncs1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001668309360 1173393971 /nfs/dbraw/zinc/39/39/71/1173393971.db2.gz HUIUETDHRCDORV-VXGBXAGGSA-N 2 0 296.440 1.079 10 0 CDAERP C(C[NH2+][C@H]1CCC[C@H]([C@@H]2CCOC2)C1)CN1CC[NH2+]CC1 ZINC000423194735 277719665 /nfs/dbraw/zinc/71/96/65/277719665.db2.gz YMNHYHKSFFPCFM-BBWFWOEESA-N 2 0 295.471 1.467 10 0 CDAERP C[C@H](C(=O)N[C@H]1C[NH2+]CC[C@H]1C)[NH+]1CCCCCC1 ZINC000186662748 278156221 /nfs/dbraw/zinc/15/62/21/278156221.db2.gz LDESYZPGJVVCHV-MCIONIFRSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C)N1CC[NH+](C)CC1 ZINC000337388150 278209409 /nfs/dbraw/zinc/20/94/09/278209409.db2.gz MEXLWIYNKKDZRM-FPCVCCKLSA-N 2 0 265.445 1.791 10 0 CDAERP C[C@H](NCC[NH+]1[C@H](C)CCC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000422890476 278259339 /nfs/dbraw/zinc/25/93/39/278259339.db2.gz SKMQVGNANLWLPK-APIJFGDWSA-N 2 0 253.434 1.979 10 0 CDAERP CCC[NH2+][C@H](C)C(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000417830177 278842890 /nfs/dbraw/zinc/84/28/90/278842890.db2.gz IXNOLZMUCDEMNL-MCIONIFRSA-N 2 0 267.417 1.365 10 0 CDAERP CC[NH+](CC)CCN[C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261846683 279107652 /nfs/dbraw/zinc/10/76/52/279107652.db2.gz AVKSIYCBLHDNGG-RRFJBIMHSA-N 2 0 269.433 1.075 10 0 CDAERP CC1CC[NH+](CC(=O)NC2CCC(C[NH+](C)C)CC2)CC1 ZINC000120015141 279376680 /nfs/dbraw/zinc/37/66/80/279376680.db2.gz LCNLOBPHKLBIED-UHFFFAOYSA-N 2 0 295.471 1.955 10 0 CDAERP COc1ccc(C[C@H](C)[NH2+]CCOCC[NH+](C)C)cc1 ZINC000219316572 280091385 /nfs/dbraw/zinc/09/13/85/280091385.db2.gz YWIIYBBCUGVDGP-AWEZNQCLSA-N 2 0 280.412 1.794 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000105234030 280098557 /nfs/dbraw/zinc/09/85/57/280098557.db2.gz SJTJSOQLHSDNSC-HUUCEWRRSA-N 2 0 296.459 1.596 10 0 CDAERP O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000249380382 280111041 /nfs/dbraw/zinc/11/10/41/280111041.db2.gz QFNDJEYJWNIYMZ-YJNKXOJESA-N 2 0 277.412 1.214 10 0 CDAERP CC(C)[C@H]([NH3+])C(=O)N1CCC2(C1)CCC([NH3+])CC2 ZINC000095087953 280272179 /nfs/dbraw/zinc/27/21/79/280272179.db2.gz LAQXKQIIZXRXMO-LXVYMNJGSA-N 2 0 253.390 1.090 10 0 CDAERP CC(C)[C@H]([NH3+])C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000037770567 280273242 /nfs/dbraw/zinc/27/32/42/280273242.db2.gz FLIXGUYNKSKQDP-LBPRGKRZSA-N 2 0 255.406 1.349 10 0 CDAERP CC1(C)COC[C@H]1[NH2+]CCC[NH2+][C@@H]1COCC1(C)C ZINC000451813702 281294764 /nfs/dbraw/zinc/29/47/64/281294764.db2.gz RSXDILOOOYIDGR-CHWSQXEVSA-N 2 0 270.417 1.406 10 0 CDAERP C[NH+](C)C1(CN[C@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CCOCC1 ZINC000375863041 282045922 /nfs/dbraw/zinc/04/59/22/282045922.db2.gz VGMQNVFLTUDDKD-OWCLPIDISA-N 2 0 295.471 1.560 10 0 CDAERP C[NH+](C)C1(CNC(=O)NC[C@@H]2CCC[N@@H+]2C)CCCC1 ZINC000338809482 289050724 /nfs/dbraw/zinc/05/07/24/289050724.db2.gz KGYXYYPBHLCDEG-ZDUSSCGKSA-N 2 0 282.432 1.254 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000055087440 289067750 /nfs/dbraw/zinc/06/77/50/289067750.db2.gz RXTCIMUTTITSHO-NWDGAFQWSA-N 2 0 253.390 1.057 10 0 CDAERP C[C@H](C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000312964020 289303152 /nfs/dbraw/zinc/30/31/52/289303152.db2.gz UJPLDDXGAGWRKV-SEBNEYGDSA-N 2 0 279.428 1.316 10 0 CDAERP C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CCC3(C2)CC[NH2+]CC3)C1 ZINC000334938383 289325252 /nfs/dbraw/zinc/32/52/52/289325252.db2.gz SNAZWBXVAWQHPN-UONOGXRCSA-N 2 0 294.443 1.254 10 0 CDAERP [NH3+]CCC1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000565150519 293531924 /nfs/dbraw/zinc/53/19/24/293531924.db2.gz LEWFWYBTUZAFLV-ZNMIVQPWSA-N 2 0 279.428 1.495 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CCC[NH+]2CCCC2)C1 ZINC000568531267 294056117 /nfs/dbraw/zinc/05/61/17/294056117.db2.gz ZBUGKKZHAHLHDV-CQSZACIVSA-N 2 0 267.417 1.273 10 0 CDAERP [NH3+]Cc1ccc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)cc1 ZINC000568985389 294134525 /nfs/dbraw/zinc/13/45/25/294134525.db2.gz CRRNUNLTCWDDKL-XHSDSOJGSA-N 2 0 287.407 1.682 10 0 CDAERP C[C@H](NC[C@H](O)C[NH+]1CCCC1)c1cn2ccccc2n1 ZINC000570224995 294199447 /nfs/dbraw/zinc/19/94/47/294199447.db2.gz JSJSTEGWRWEKKZ-KBPBESRZSA-N 2 0 288.395 1.442 10 0 CDAERP C[C@@H](NC[C@H](O)C[NH+]1CCCC1)c1cn2ccccc2n1 ZINC000570224997 294199688 /nfs/dbraw/zinc/19/96/88/294199688.db2.gz JSJSTEGWRWEKKZ-KGLIPLIRSA-N 2 0 288.395 1.442 10 0 CDAERP C[C@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH+]1CCCCC1 ZINC000570581188 294267124 /nfs/dbraw/zinc/26/71/24/294267124.db2.gz DCOSTCFJLIJFLO-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP C[NH+](C)CCN1CCC([NH2+]C[C@@H](O)CC2CCCC2)CC1 ZINC000572274776 294591598 /nfs/dbraw/zinc/59/15/98/294591598.db2.gz NIKCWAZUIULEBD-KRWDZBQOSA-N 2 0 297.487 1.543 10 0 CDAERP CC(C)[C@H](C(=O)N1C[C@@H]([NH3+])Cc2ccccc21)[C@H](C)[NH3+] ZINC000574512048 295010608 /nfs/dbraw/zinc/01/06/08/295010608.db2.gz HTONWTMPGRFTTM-WHOFXGATSA-N 2 0 275.396 1.522 10 0 CDAERP [NH3+]C[C@@H](NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)C1CCCC1 ZINC000334962760 295242993 /nfs/dbraw/zinc/24/29/93/295242993.db2.gz UTRSOOKZAJTLQW-ZBFHGGJFSA-N 2 0 294.443 1.289 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000261837215 295314176 /nfs/dbraw/zinc/31/41/76/295314176.db2.gz UOGCXTFIPOOZBA-DZGCQCFKSA-N 2 0 279.428 1.591 10 0 CDAERP [NH3+][C@H]1CCC[C@@H]1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000085369811 295336453 /nfs/dbraw/zinc/33/64/53/295336453.db2.gz BCLBQPKFNTZDML-KBPBESRZSA-N 2 0 265.401 1.201 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000251937656 297098832 /nfs/dbraw/zinc/09/88/32/297098832.db2.gz ZIIQNUFFBFMBCO-GRYCIOLGSA-N 2 0 253.390 1.055 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCCC12CCOCC2 ZINC000423381889 297108211 /nfs/dbraw/zinc/10/82/11/297108211.db2.gz DATIOQMEWMVJKF-RDBSUJKOSA-N 2 0 252.402 1.923 10 0 CDAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000334890418 300000603 /nfs/dbraw/zinc/00/06/03/300000603.db2.gz VACAQHCRVUAMFF-JSGCOSHPSA-N 2 0 296.459 1.547 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000237908550 303460146 /nfs/dbraw/zinc/46/01/46/303460146.db2.gz CPSSXBMUORADFB-OWCLPIDISA-N 2 0 293.455 1.981 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1CC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000261682489 303467069 /nfs/dbraw/zinc/46/70/69/303467069.db2.gz DKXIIQFHKRTQFW-IGQOVBAYSA-N 2 0 265.401 1.008 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C1CCCC1 ZINC001671555389 1173688187 /nfs/dbraw/zinc/68/81/87/1173688187.db2.gz YXLLUVZCPHONNW-ZDUSSCGKSA-N 2 0 255.406 1.223 10 0 CDAERP CC[N@@H+]1CC[C@](C)(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001671648684 1173700167 /nfs/dbraw/zinc/70/01/67/1173700167.db2.gz JRYYIYITGDQVDR-HIFRSBDPSA-N 2 0 267.417 1.461 10 0 CDAERP [NH3+][C@H]1CCC[C@@H]([NH2+]CCNC(=O)c2ccccc2)C1 ZINC000563427329 316307835 /nfs/dbraw/zinc/30/78/35/316307835.db2.gz YPFIWYIMENLYMQ-UONOGXRCSA-N 2 0 261.369 1.276 10 0 CDAERP C[NH+](C)C1CCN(CC[NH2+]C[C@H](O)CC2CCCC2)CC1 ZINC000576509037 317151599 /nfs/dbraw/zinc/15/15/99/317151599.db2.gz OHXDEKHLWYUUAT-QGZVFWFLSA-N 2 0 297.487 1.543 10 0 CDAERP O=C(C[C@@H]1CSCC[NH2+]1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000578533522 323960768 /nfs/dbraw/zinc/96/07/68/323960768.db2.gz QWEKHRMPUKZIKR-MGPQQGTHSA-N 2 0 297.468 1.072 10 0 CDAERP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@@H](c2cnn[nH]2)c2ccc(F)cc2)C1 ZINC000583687694 325220571 /nfs/dbraw/zinc/22/05/71/325220571.db2.gz IUGILTXZEMOXJA-WDBKCZKBSA-N 2 0 289.358 1.750 10 0 CDAERP Cc1cc(C[NH2+]CC2CC[NH+](C[C@@H](C)O)CC2)on1 ZINC000069621892 327100366 /nfs/dbraw/zinc/10/03/66/327100366.db2.gz VEXHTVDMJRQUQO-GFCCVEGCSA-N 2 0 267.373 1.165 10 0 CDAERP COCCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001268743647 1160012133 /nfs/dbraw/zinc/01/21/33/1160012133.db2.gz UPRMFXZOUGBACZ-ILXRZTDVSA-N 2 0 299.459 1.190 10 0 CDAERP OC1CCC(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000300698992 482308064 /nfs/dbraw/zinc/30/80/64/482308064.db2.gz QRHIHCNPYPAJNF-GQKFXUNGSA-N 2 0 252.402 1.754 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000662620778 482408886 /nfs/dbraw/zinc/40/88/86/482408886.db2.gz BCMQQTXTJIZZEZ-WOPDTQHZSA-N 2 0 253.390 1.103 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000652291814 482459020 /nfs/dbraw/zinc/45/90/20/482459020.db2.gz IWZQCBTVAVPNCH-WFASDCNBSA-N 2 0 290.411 1.285 10 0 CDAERP CC1([NH3+])CCN(C(=O)[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000669514462 482534531 /nfs/dbraw/zinc/53/45/31/482534531.db2.gz FDRVVFPUFKUSAR-CYBMUJFWSA-N 2 0 279.359 1.208 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000417524954 482594257 /nfs/dbraw/zinc/59/42/57/482594257.db2.gz AGSBAAKESFXZTI-XGUBFFRZSA-N 2 0 296.459 1.818 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]([NH3+])CC(C)C ZINC000092629638 482630233 /nfs/dbraw/zinc/63/02/33/482630233.db2.gz PLPMLXLEJNMBHF-CHWSQXEVSA-N 2 0 255.406 1.303 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000417839482 482643848 /nfs/dbraw/zinc/64/38/48/482643848.db2.gz WPLUEPVWXDZRFK-QJPTWQEYSA-N 2 0 253.390 1.151 10 0 CDAERP CO[C@@H]1CCC[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000684383525 482784396 /nfs/dbraw/zinc/78/43/96/482784396.db2.gz BYCLFASRPWBUOD-VVLHAWIVSA-N 2 0 296.455 1.911 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(C[NH3+])c1 ZINC000094462993 482789448 /nfs/dbraw/zinc/78/94/48/482789448.db2.gz ATYJTFNOYPLTPW-IUODEOHRSA-N 2 0 288.395 1.846 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C[C@@H]([NH3+])C(C)C ZINC000228492597 482853512 /nfs/dbraw/zinc/85/35/12/482853512.db2.gz SXZOUSVOFMESCZ-CHWSQXEVSA-N 2 0 255.406 1.303 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000233018166 482895716 /nfs/dbraw/zinc/89/57/16/482895716.db2.gz OHFKDAVJTHIYNW-CYBMUJFWSA-N 2 0 269.433 1.565 10 0 CDAERP [NH3+]C1CCC(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000250802915 483025699 /nfs/dbraw/zinc/02/56/99/483025699.db2.gz BUPSUEQOMKCCBZ-CLRIEMFWSA-N 2 0 265.401 1.247 10 0 CDAERP C[C@@H]1CCC[C@](CNC(=O)[C@@H]2CCC[C@H]2C[NH3+])([NH+](C)C)C1 ZINC000251650092 483067542 /nfs/dbraw/zinc/06/75/42/483067542.db2.gz FNVHBZUZKSNXSL-DLTWYDFYSA-N 2 0 295.471 1.988 10 0 CDAERP C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1nccn1C ZINC000667255651 483182730 /nfs/dbraw/zinc/18/27/30/483182730.db2.gz VHMVNQRHFFOMCG-AGIUHOORSA-N 2 0 293.415 1.605 10 0 CDAERP [NH3+]CCC[NH2+][C@H]1CCN(c2c(F)cccc2F)C1 ZINC000415090134 483300108 /nfs/dbraw/zinc/30/01/08/483300108.db2.gz XFWRYJUPZPNRJL-JTQLQIEISA-N 2 0 255.312 1.482 10 0 CDAERP CNC(=O)[C@H]1CCC[N@H+](Cc2ccnn2-c2ccncc2)C1 ZINC000667626238 483357394 /nfs/dbraw/zinc/35/73/94/483357394.db2.gz NJONOGDXPPLLGZ-ZDUSSCGKSA-N 2 0 299.378 1.225 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000667743214 483409474 /nfs/dbraw/zinc/40/94/74/483409474.db2.gz CEQRSAQXFWXKFX-HNNXBMFYSA-N 2 0 288.395 1.548 10 0 CDAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667851565 483459923 /nfs/dbraw/zinc/45/99/23/483459923.db2.gz RVVULJHJTKLPIC-DJIMGWMZSA-N 2 0 295.471 1.417 10 0 CDAERP CC(C)[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000055147736 519680102 /nfs/dbraw/zinc/68/01/02/519680102.db2.gz QRNZZBYNBMSKHX-LSDHHAIUSA-N 2 0 281.444 1.694 10 0 CDAERP CC(C)[NH2+]CC1(C[NH+]2CCC(CO)CC2)CCOCC1 ZINC000052180470 519719832 /nfs/dbraw/zinc/71/98/32/519719832.db2.gz QZJQHXKJZLFCMU-UHFFFAOYSA-N 2 0 284.444 1.486 10 0 CDAERP C[C@@H](F)CC[N@H+](C)[C@@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001409562356 1160849594 /nfs/dbraw/zinc/84/95/94/1160849594.db2.gz IIHJFDGFGREJOM-OLZOCXBDSA-N 2 0 287.423 1.655 10 0 CDAERP CC(C)[NH2+][C@@](C)(C[C@H](C)N(C)CC[NH+]1CCCC1)C(N)=O ZINC000068646296 519736613 /nfs/dbraw/zinc/73/66/13/519736613.db2.gz CLSSJSGEOKRODJ-HOCLYGCPSA-N 2 0 298.475 1.035 10 0 CDAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCF ZINC001483272308 1160888883 /nfs/dbraw/zinc/88/88/83/1160888883.db2.gz RZYVZROWOHIPQE-STQMWFEESA-N 2 0 273.396 1.313 10 0 CDAERP CC(C)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001483272291 1160889354 /nfs/dbraw/zinc/88/93/54/1160889354.db2.gz ROYPPLBRRAVORX-LSDHHAIUSA-N 2 0 283.460 2.000 10 0 CDAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1COCCO1 ZINC000054628659 519911035 /nfs/dbraw/zinc/91/10/35/519911035.db2.gz FRUKBSAXGBCWAQ-WTUNAVPPSA-N 2 0 254.374 1.007 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@@H](C[NH+]2CCC(OC)CC2)O1 ZINC000052455418 519937721 /nfs/dbraw/zinc/93/77/21/519937721.db2.gz LLDPQPKYHQMJJD-CABCVRRESA-N 2 0 270.417 1.644 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)NCC1CC[NH+](CC)CC1 ZINC000061267937 519961782 /nfs/dbraw/zinc/96/17/82/519961782.db2.gz WAISDHRTENIJMG-LBPRGKRZSA-N 2 0 255.406 1.080 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@H](COCC[NH+]2CCCC2)O1 ZINC000052670448 519981958 /nfs/dbraw/zinc/98/19/58/519981958.db2.gz MHXJPBRQMZKYLB-ZIAGYGMSSA-N 2 0 256.390 1.256 10 0 CDAERP CC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1C[NH+](CCO)CCO ZINC000054560101 520217075 /nfs/dbraw/zinc/21/70/75/520217075.db2.gz UOLVGMNVGFXYMA-OAGGEKHMSA-N 2 0 286.460 1.323 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000055090325 521550519 /nfs/dbraw/zinc/55/05/19/521550519.db2.gz BOTLHAHEVHXDMS-UONOGXRCSA-N 2 0 267.417 1.352 10 0 CDAERP CC(C)C[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001714764368 1179385442 /nfs/dbraw/zinc/38/54/42/1179385442.db2.gz QSCARPOEJDYILV-HNNXBMFYSA-N 2 0 283.460 1.953 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1CC[NH2+]CCc1cccs1 ZINC000061655084 521837135 /nfs/dbraw/zinc/83/71/35/521837135.db2.gz PKXHSDMSBIFZQC-AWEZNQCLSA-N 2 0 281.469 1.906 10 0 CDAERP C[C@@H](C[NH2+]C/C=C/Cl)NC(=O)C1(C[NH+](C)C)CC1 ZINC001715991749 1179969866 /nfs/dbraw/zinc/96/98/66/1179969866.db2.gz BERDMOMAAWYQQS-ZPMKCOPCSA-N 2 0 273.808 1.175 10 0 CDAERP CCC[NH2+]CCN(CC)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001716248705 1180119298 /nfs/dbraw/zinc/11/92/98/1180119298.db2.gz IQZJHKKAIMPODR-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(Cc2cc(C[NH3+])no2)CC1 ZINC000055074223 522125917 /nfs/dbraw/zinc/12/59/17/522125917.db2.gz DEBDRDPKFFPSEZ-LLVKDONJSA-N 2 0 252.362 1.049 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+](C)C(C)C ZINC001732457381 1182974937 /nfs/dbraw/zinc/97/49/37/1182974937.db2.gz GQNRFAYMHOYMBG-CQSZACIVSA-N 2 0 269.433 1.729 10 0 CDAERP CC(C)(C)[NH+]1CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000055090591 518710965 /nfs/dbraw/zinc/71/09/65/518710965.db2.gz ZKJMQJYSIFEFLC-STQMWFEESA-N 2 0 267.417 1.447 10 0 CDAERP CC(C)([NH3+])CC(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000373040621 519295288 /nfs/dbraw/zinc/29/52/88/519295288.db2.gz SUAGYCFQEUJXPF-ZDUSSCGKSA-N 2 0 267.417 1.591 10 0 CDAERP CC(C)[N@H+](C)CCCCNC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000061613202 519614170 /nfs/dbraw/zinc/61/41/70/519614170.db2.gz DECWORNZILRMIS-MRXNPFEDSA-N 2 0 291.439 1.966 10 0 CDAERP CC(C)[NH+]1CCC(C[NH3+])(N2C[C@@H](C)OC(C)(C)C2)CC1 ZINC000045664555 519669429 /nfs/dbraw/zinc/66/94/29/519669429.db2.gz MOBPOUQDIPIHBY-CQSZACIVSA-N 2 0 283.460 1.687 10 0 CDAERP CC(C)[NH2+]C[C@H](C(C)C)N1CCN(CC[NH+](C)C)CC1 ZINC000061654971 519724382 /nfs/dbraw/zinc/72/43/82/519724382.db2.gz SIGAXJADIOJYFN-MRXNPFEDSA-N 2 0 284.492 1.188 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)[C@H]2CCC[C@H]([NH3+])[C@@H]2C)CC1 ZINC000055132108 519725003 /nfs/dbraw/zinc/72/50/03/519725003.db2.gz NFTZIXJNHZFYBS-ILXRZTDVSA-N 2 0 281.444 1.550 10 0 CDAERP CC(C)[NH2+]C[C@H]1CC[C@@H](C[N@@H+]2CCC[C@@H]2CN(C)C)O1 ZINC000061654516 519725584 /nfs/dbraw/zinc/72/55/84/519725584.db2.gz RVXVUKWXFRUPTC-OAGGEKHMSA-N 2 0 283.460 1.558 10 0 CDAERP CC(C)C[NH+]1CCN([C@@H](c2ccccn2)[C@@H](C)[NH3+])CC1 ZINC000055077244 519727331 /nfs/dbraw/zinc/72/73/31/519727331.db2.gz UVGJEEGPRJLZAQ-GDBMZVCRSA-N 2 0 276.428 1.744 10 0 CDAERP CC(C)[NH2+][C@@](C)(C[C@H](C)N(C)C1CC[NH+](C)CC1)C(N)=O ZINC000068621379 519736380 /nfs/dbraw/zinc/73/63/80/519736380.db2.gz HULZXVZPNVYDFT-BBRMVZONSA-N 2 0 298.475 1.033 10 0 CDAERP CC(C)C[NH2+]CC1(C[N@@H+]2CC[C@H](O)C2)CCOCC1 ZINC000061712124 519742863 /nfs/dbraw/zinc/74/28/63/519742863.db2.gz KTYZJVHOCGIYLD-AWEZNQCLSA-N 2 0 270.417 1.095 10 0 CDAERP CCC[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000055146074 519856587 /nfs/dbraw/zinc/85/65/87/519856587.db2.gz SVYWAZVOJJWKKZ-ZIAGYGMSSA-N 2 0 267.417 1.306 10 0 CDAERP CCC[NH+]1CCN(Cc2ccoc2C[NH2+]C)CC1 ZINC000052421879 519858970 /nfs/dbraw/zinc/85/89/70/519858970.db2.gz GMYKQXMGZKQEQL-UHFFFAOYSA-N 2 0 251.374 1.527 10 0 CDAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCN1CCOCC1 ZINC000054603292 519907456 /nfs/dbraw/zinc/90/74/56/519907456.db2.gz FWJUOQCOGWWUNK-MQVJKMGUSA-N 2 0 281.444 1.314 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@H](C[N@@H+]2CCC[C@@H]2CN(C)C)O1 ZINC000061654510 519939282 /nfs/dbraw/zinc/93/92/82/519939282.db2.gz KUZZGQAFTGVZLU-BZUAXINKSA-N 2 0 283.460 1.560 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@H](COC2CC[NH+](C)CC2)O1 ZINC000052596857 519956406 /nfs/dbraw/zinc/95/64/06/519956406.db2.gz MQYQBLJEKOWDAP-UONOGXRCSA-N 2 0 256.390 1.254 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@H](C[N@@H+]2CCOCC2(C)C)O1 ZINC000052546184 519981922 /nfs/dbraw/zinc/98/19/22/519981922.db2.gz UCFFNIBVQRAXFL-CHWSQXEVSA-N 2 0 256.390 1.254 10 0 CDAERP CC[NH2+]Cc1ccc(N2CCC[C@H]2C[NH+](C)C)nc1 ZINC000061654217 519998472 /nfs/dbraw/zinc/99/84/72/519998472.db2.gz HBUOIJJBNMRBBB-AWEZNQCLSA-N 2 0 262.401 1.722 10 0 CDAERP CCC[NH2+][C@@H]1CCCC[C@H]1N1CCN(CC[NH+](C)C)CC1 ZINC000061644052 520020634 /nfs/dbraw/zinc/02/06/34/520020634.db2.gz LBWAPQQALVMBCH-IAGOWNOFSA-N 2 0 296.503 1.476 10 0 CDAERP CC[NH2+][C@@H]1CCOC[C@H]1N1CC[NH+](CC(C)C)CC1 ZINC000055079180 520120686 /nfs/dbraw/zinc/12/06/86/520120686.db2.gz FJEMTRXICXGEAB-HUUCEWRRSA-N 2 0 269.433 1.027 10 0 CDAERP CCCCC[N@H+](C)CCn1cc(C[NH2+]CCC)nn1 ZINC000052454801 520152894 /nfs/dbraw/zinc/15/28/94/520152894.db2.gz CUJXOTGQZVPOKZ-UHFFFAOYSA-N 2 0 267.421 1.900 10 0 CDAERP CC[N@H+](C)CCNC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000054444139 520236939 /nfs/dbraw/zinc/23/69/39/520236939.db2.gz PEBTYISRVWMLLP-UHFFFAOYSA-N 2 0 278.400 1.094 10 0 CDAERP CCC(C)(C)NC(=O)CN1CC[NH+](CCCCC[NH3+])CC1 ZINC000049281661 521314622 /nfs/dbraw/zinc/31/46/22/521314622.db2.gz KQFCJPNLSNAXNG-UHFFFAOYSA-N 2 0 298.475 1.038 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000055090316 521548787 /nfs/dbraw/zinc/54/87/87/521548787.db2.gz BOTLHAHEVHXDMS-KGLIPLIRSA-N 2 0 267.417 1.352 10 0 CDAERP CC[NH+]1CCC(C[NH3+])(N(C)Cc2ccoc2C)CC1 ZINC000048912477 521549121 /nfs/dbraw/zinc/54/91/21/521549121.db2.gz KRRVURPPRWMNCR-UHFFFAOYSA-N 2 0 265.401 1.833 10 0 CDAERP C[NH+](C)CCN1CCN([C@@H](CC[NH3+])c2ccccc2)CC1 ZINC000061642706 521764583 /nfs/dbraw/zinc/76/45/83/521764583.db2.gz OHYUCNMSBXOFDV-KRWDZBQOSA-N 2 0 290.455 1.256 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1c1ncc(C[NH2+]C2CC2)s1 ZINC000061655454 521846356 /nfs/dbraw/zinc/84/63/56/521846356.db2.gz JJUDFOSWVYTBPP-LBPRGKRZSA-N 2 0 280.441 1.926 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)CC1CCC([NH3+])CC1 ZINC000061656189 521861838 /nfs/dbraw/zinc/86/18/38/521861838.db2.gz LNNTZDMAPNMCJK-JXQTWKCFSA-N 2 0 267.417 1.447 10 0 CDAERP C[NH2+]CC1(CN(CC[NH+](C)C)CC(C)C)CCOCC1 ZINC000052182297 521970538 /nfs/dbraw/zinc/97/05/38/521970538.db2.gz HLUHSINBEDHXHJ-UHFFFAOYSA-N 2 0 285.476 1.522 10 0 CDAERP C[NH2+]C[C@@H](c1ccccc1)N1CCC([NH+](C)C)CC1 ZINC000052477844 522038553 /nfs/dbraw/zinc/03/85/53/522038553.db2.gz QUKQTQGELXMIJX-INIZCTEOSA-N 2 0 261.413 1.973 10 0 CDAERP C[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)C[C@@H]2CCCCO2)O1 ZINC000052507603 522060190 /nfs/dbraw/zinc/06/01/90/522060190.db2.gz KHQKBPZJDSOLOV-MELADBBJSA-N 2 0 256.390 1.254 10 0 CDAERP C[NH2+]Cc1cnc(N(C)[C@H]2CCC[N@H+](C)C2)s1 ZINC000054905561 522146290 /nfs/dbraw/zinc/14/62/90/522146290.db2.gz HWNSPVXVLFQGSC-JTQLQIEISA-N 2 0 254.403 1.393 10 0 CDAERP C[NH2+]Cc1occc1COCC[C@H]1CCC[N@@H+]1C ZINC000052673276 522165139 /nfs/dbraw/zinc/16/51/39/522165139.db2.gz GLZSMXCUTFXVKP-CYBMUJFWSA-N 2 0 252.358 2.000 10 0 CDAERP CC[C@H]([NH3+])[C@@H](c1ccncc1)N1CCC[C@@H]1C[NH+](C)C ZINC000061641984 522342846 /nfs/dbraw/zinc/34/28/46/522342846.db2.gz BWSPJQSBMYQWFC-OWCLPIDISA-N 2 0 276.428 1.886 10 0 CDAERP C[NH2+][C@@H]1CCC[C@@H]1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062979540 522387684 /nfs/dbraw/zinc/38/76/84/522387684.db2.gz CXUYSUZGIJLBGW-ZNMIVQPWSA-N 2 0 251.418 1.687 10 0 CDAERP C[NH2+][C@@H]1CCC[C@@H]1CN1CC[NH+](CC(C)C)CC1 ZINC000055081977 522388366 /nfs/dbraw/zinc/38/83/66/522388366.db2.gz WPMHAAXCOXIUMG-HUUCEWRRSA-N 2 0 253.434 1.648 10 0 CDAERP C[NH2+][C@H](CN1CC[C@H]([NH+](C)C)C1)c1cccc(OC)c1 ZINC000062965029 522468526 /nfs/dbraw/zinc/46/85/26/522468526.db2.gz IUYXTVPEKVZBJY-GOEBONIOSA-N 2 0 277.412 1.592 10 0 CDAERP CN1CCC[N@H+](C[C@@H]2CC[C@@H](C[NH2+]C(C)(C)C)O2)CC1 ZINC000052424380 523805908 /nfs/dbraw/zinc/80/59/08/523805908.db2.gz VHIMNWXJNBVOOG-GJZGRUSLSA-N 2 0 283.460 1.560 10 0 CDAERP CC[C@H](C)[NH+]1CCN([C@@H](C[NH3+])c2ccco2)CC1 ZINC000055063989 523957896 /nfs/dbraw/zinc/95/78/96/523957896.db2.gz XKFSSELOSZBKPA-STQMWFEESA-N 2 0 251.374 1.696 10 0 CDAERP CC[C@H](C)[NH+]1CCN([C@@H](c2cnn(C)c2)[C@@H](C)[NH3+])CC1 ZINC000055063667 523957918 /nfs/dbraw/zinc/95/79/18/523957918.db2.gz USAOHAHSKTUAQA-GZBFAFLISA-N 2 0 279.432 1.225 10 0 CDAERP C[NH+](C)C(C)(C)CNC(=O)[C@H]1CCC[C@@H](CC[NH3+])C1 ZINC000055163285 524032895 /nfs/dbraw/zinc/03/28/95/524032895.db2.gz PGWBNKWSYPJRMM-STQMWFEESA-N 2 0 269.433 1.598 10 0 CDAERP C[NH+](C)CC1CC[NH+](Cc2ccnc(C(N)=S)c2)CC1 ZINC000068752392 524049566 /nfs/dbraw/zinc/04/95/66/524049566.db2.gz GHMIXPGDUJEXKZ-UHFFFAOYSA-N 2 0 292.452 1.489 10 0 CDAERP C[C@H]1CCC[C@H](C(=O)NCC[NH+]2CCCCCC2)[C@@H]1[NH3+] ZINC000055136238 524176133 /nfs/dbraw/zinc/17/61/33/524176133.db2.gz OZCGLEYIDGRBLN-SOUVJXGZSA-N 2 0 281.444 1.742 10 0 CDAERP C[C@@H](C[NH+]1CCCC1)NCC[C@H]1CCCC[N@@H+]1C ZINC000052205939 524592454 /nfs/dbraw/zinc/59/24/54/524592454.db2.gz IPEIJHVQZVROTM-LSDHHAIUSA-N 2 0 253.434 1.935 10 0 CDAERP C[C@H](Cc1ccco1)[NH2+]CCN1CCC[NH2+]CC1 ZINC000061275407 524747224 /nfs/dbraw/zinc/74/72/24/524747224.db2.gz OTXNSXHHQFKCJJ-CYBMUJFWSA-N 2 0 251.374 1.096 10 0 CDAERP C[C@@H]([NH3+])c1ccc(S(=O)(=O)N[C@@H](C)CC[NH+](C)C)cc1 ZINC000049560569 525029616 /nfs/dbraw/zinc/02/96/16/525029616.db2.gz QLHHLWOTWQLDTD-NWDGAFQWSA-N 2 0 299.440 1.325 10 0 CDAERP C[C@]([NH3+])(CCCC[N@@H+]1CCCC(C)(C)C1)C(N)=O ZINC000069516391 525147472 /nfs/dbraw/zinc/14/74/72/525147472.db2.gz DYSFFABQUWUUKF-AWEZNQCLSA-N 2 0 255.406 1.481 10 0 CDAERP Cc1ccc([C@H](C[NH3+])N2CCN(CC[NH+](C)C)CC2)s1 ZINC000061642362 525951460 /nfs/dbraw/zinc/95/14/60/525951460.db2.gz ALYGSJKVLOEPMF-AWEZNQCLSA-N 2 0 296.484 1.236 10 0 CDAERP Cc1oc(C[NH3+])cc1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062973034 526771750 /nfs/dbraw/zinc/77/17/50/526771750.db2.gz GUILGHFOISJYCU-CQSZACIVSA-N 2 0 263.385 1.717 10 0 CDAERP Cc1sc2ncnc(N(CC[NH3+])CC[NH3+])c2c1C ZINC000061806440 526899456 /nfs/dbraw/zinc/89/94/56/526899456.db2.gz FAGFSNHGUHECNU-UHFFFAOYSA-N 2 0 265.386 1.032 10 0 CDAERP [NH3+]CCCC[NH+]1CCN(CCCOc2ccccc2)CC1 ZINC000061815637 527176244 /nfs/dbraw/zinc/17/62/44/527176244.db2.gz DQKXUOCEGSTVBX-UHFFFAOYSA-N 2 0 291.439 1.812 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000227137465 527209875 /nfs/dbraw/zinc/20/98/75/527209875.db2.gz CSMUCIDRVPGABI-MJBXVCDLSA-N 2 0 276.380 1.934 10 0 CDAERP [NH3+]C[C@@H]1CC[C@H](C[NH+]2CCN(Cc3ccccc3)CC2)O1 ZINC000052417121 527219405 /nfs/dbraw/zinc/21/94/05/527219405.db2.gz SLPLUEQNTIGCTE-DLBZAZTESA-N 2 0 289.423 1.311 10 0 CDAERP NC(=O)CC1CC[NH+](Cc2cc(F)ccc2C[NH3+])CC1 ZINC000069401404 527254738 /nfs/dbraw/zinc/25/47/38/527254738.db2.gz BBCFRKZXGHCFQM-UHFFFAOYSA-N 2 0 279.359 1.372 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H](CC(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000055132657 527349977 /nfs/dbraw/zinc/34/99/77/527349977.db2.gz URGYCPQDJQQZJB-HUUCEWRRSA-N 2 0 293.455 1.981 10 0 CDAERP OCC1CC[NH+](CC2(C[NH2+]C3CC3)CCOCC2)CC1 ZINC000052180472 527528199 /nfs/dbraw/zinc/52/81/99/527528199.db2.gz COAJEKMTKHFWEL-UHFFFAOYSA-N 2 0 282.428 1.240 10 0 CDAERP Nc1c[nH+]ccc1N1CC[NH+](CCCn2ccnc2)CC1 ZINC000049328438 527536650 /nfs/dbraw/zinc/53/66/50/527536650.db2.gz ZJCKXDHLMQDWHC-UHFFFAOYSA-N 2 0 286.383 1.073 10 0 CDAERP CCN(CC)C(=O)C1CC[NH+](C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414693914 535398105 /nfs/dbraw/zinc/39/81/05/535398105.db2.gz RYAMOWDEBPWTTG-LSDHHAIUSA-N 2 0 295.471 1.955 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](C)Oc1cccc(F)c1 ZINC000422785945 536595876 /nfs/dbraw/zinc/59/58/76/536595876.db2.gz KGZPZCDQSJOPFN-GXTWGEPZSA-N 2 0 284.375 1.937 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1cn2ccc(C)cc2n1 ZINC000422718438 536596690 /nfs/dbraw/zinc/59/66/90/536596690.db2.gz PQZYNSJOKCJFBX-CYBMUJFWSA-N 2 0 276.384 1.486 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000422741822 536597158 /nfs/dbraw/zinc/59/71/58/536597158.db2.gz PDARSBQNGMIMBA-HUUCEWRRSA-N 3 0 271.449 1.450 10 0 CDAERP Cc1noc(CC[NH2+][C@@H](C)C2CC[NH+](C)CC2)n1 ZINC000089518668 538348866 /nfs/dbraw/zinc/34/88/66/538348866.db2.gz XPFBFHXOWDRQMP-JTQLQIEISA-N 2 0 252.362 1.240 10 0 CDAERP c1cc(NCC[NH2+]Cc2ccccc2)n(C2C[NH2+]C2)n1 ZINC000725258118 538452798 /nfs/dbraw/zinc/45/27/98/538452798.db2.gz HCOUQAJRBLDGMF-UHFFFAOYSA-N 2 0 271.368 1.229 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=S)NC2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000741483279 575055763 /nfs/dbraw/zinc/05/57/63/575055763.db2.gz CUCMLQJSTAYWQA-OCCSQVGLSA-N 2 0 298.500 1.370 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)CC[NH+]2CCCC2)[C@H](C)C1 ZINC000760864268 576518786 /nfs/dbraw/zinc/51/87/86/576518786.db2.gz YDHHOSAOVXGGGF-HUUCEWRRSA-N 2 0 253.434 1.744 10 0 CDAERP C[NH+](C)[C@]1(CN[C@@H]2C[C@@H]([NH3+])C23CCC3)CCSC1 ZINC000925532838 617466423 /nfs/dbraw/zinc/46/64/23/617466423.db2.gz YIQBHVVBCWQVQA-UPJWGTAASA-N 2 0 269.458 1.283 10 0 CDAERP CC1(C)C[C@@H]([NH2+][C@H]2CC(=O)N(C3CC3)C2)C[C@@H]([NH3+])C1 ZINC000925574452 617522863 /nfs/dbraw/zinc/52/28/63/617522863.db2.gz BEDQNBOTXFTBOL-WOPDTQHZSA-N 2 0 265.401 1.245 10 0 CDAERP Cc1ccoc1C(=O)NCCC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925580961 617529386 /nfs/dbraw/zinc/52/93/86/617529386.db2.gz PDHKEMJAHNXHGX-OLZOCXBDSA-N 2 0 291.395 1.567 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCN(c2ccccn2)C1 ZINC000925624097 617570517 /nfs/dbraw/zinc/57/05/17/617570517.db2.gz ZDYFAYPYMHXMFO-AWVCJSPBSA-N 2 0 286.423 1.590 10 0 CDAERP C[C@@H]1CCC[N@@H+]1CCN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925624354 617571110 /nfs/dbraw/zinc/57/11/10/617571110.db2.gz WENVKFMRUTXPOO-HZSPNIEDSA-N 2 0 253.434 1.966 10 0 CDAERP CC[C@@H](C[C@H](C)O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000926816513 617594150 /nfs/dbraw/zinc/59/41/50/617594150.db2.gz NIGCHOGCFLFXDX-MGLUKCQKSA-N 2 0 284.444 1.767 10 0 CDAERP C(N[C@H]1CC[NH2+]C12CCC2)[C@H]1CCCC[N@@H+]1C1CC1 ZINC000925651363 617595038 /nfs/dbraw/zinc/59/50/38/617595038.db2.gz BFSBBGMYZYATIQ-CABCVRRESA-N 2 0 263.429 1.878 10 0 CDAERP C[NH+](C)CCOCC[NH2+][C@@H]1CCc2c1nccc2Cl ZINC000926255721 617643006 /nfs/dbraw/zinc/64/30/06/617643006.db2.gz SNEIAJNQQZYSDK-CYBMUJFWSA-N 2 0 283.803 1.890 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000925783105 617700131 /nfs/dbraw/zinc/70/01/31/617700131.db2.gz CNISAVRANSJTNI-GZBLMMOJSA-N 2 0 251.418 1.304 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000925785386 617706709 /nfs/dbraw/zinc/70/67/09/617706709.db2.gz KVNYQNWAMDSRRH-OLMNGRFOSA-N 3 0 265.445 1.742 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H](NC[C@@H]2C[NH2+]C[C@H]2C)[C@@H](C)C1 ZINC000925792759 617719111 /nfs/dbraw/zinc/71/91/11/617719111.db2.gz WDDGECXOXKXFDM-QZWWFDLISA-N 2 0 297.487 1.569 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])[NH2+]CC1CCC(S(C)(=O)=O)CC1 ZINC000925799644 617731268 /nfs/dbraw/zinc/73/12/68/617731268.db2.gz ADSXJLPLWQPFCX-ZFDZMSFRSA-N 2 0 276.446 1.305 10 0 CDAERP CCCC[C@@H](COC)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925814716 617763678 /nfs/dbraw/zinc/76/36/78/617763678.db2.gz LKEOMQUZLQTLKR-AWEZNQCLSA-N 2 0 257.422 1.204 10 0 CDAERP COC[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)C(C)C ZINC000925873956 617942275 /nfs/dbraw/zinc/94/22/75/617942275.db2.gz OKVWWDPKSXHWRL-YHUYYLMFSA-N 2 0 284.444 1.652 10 0 CDAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CCOc1ccccc1)CC2 ZINC000923454627 618340365 /nfs/dbraw/zinc/34/03/65/618340365.db2.gz HQEISASXWWOYOY-INIZCTEOSA-N 2 0 290.407 1.895 10 0 CDAERP C[C@@H](C[NH2+]C1CC2(C1)CO[C@H](C)C2)CN1CC[NH+](C)CC1 ZINC000924951495 618378859 /nfs/dbraw/zinc/37/88/59/618378859.db2.gz MJEFHKFLYRULHY-NJINODPHSA-N 2 0 295.471 1.417 10 0 CDAERP CC(C)C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C1CCOCC1 ZINC000902763719 625298345 /nfs/dbraw/zinc/29/83/45/625298345.db2.gz XZXOLCBBXTZBRG-IAGOWNOFSA-N 2 0 298.471 1.874 10 0 CDAERP C[NH+](C)CC1(C(=O)NC[C@H]2CC[N@@H+]2C)CCCCC1 ZINC000928559663 619379868 /nfs/dbraw/zinc/37/98/68/619379868.db2.gz LYTDBVPALLBWOQ-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP CSC1(CNC(=[NH2+])N[C@H]2C[C@@H]2C)CC[NH+](C)CC1 ZINC000864467037 620933312 /nfs/dbraw/zinc/93/33/12/620933312.db2.gz PDISTIHVRHCLAR-QWRGUYRKSA-N 2 0 270.446 1.336 10 0 CDAERP C[C@@H]1[C@H](NC(=O)NCCC[NH2+]C2CCCCC2)CC[N@@H+]1C ZINC000925305696 620970600 /nfs/dbraw/zinc/97/06/00/620970600.db2.gz DNXWDNMSTQRMTQ-UKRRQHHQSA-N 2 0 296.459 1.691 10 0 CDAERP CC(C)[C@@H](C[NH2+][C@H](C)C(C)(C)CO)N1CC[NH+](C)CC1 ZINC000924631708 621611111 /nfs/dbraw/zinc/61/11/11/621611111.db2.gz OJFQUZYDAKYOGS-HUUCEWRRSA-N 2 0 285.476 1.255 10 0 CDAERP O[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000250665493 622089772 /nfs/dbraw/zinc/08/97/72/622089772.db2.gz RQWMOJGIYTUANL-XPABHHOTSA-N 2 0 252.402 1.800 10 0 CDAERP CN(C(=O)C[N@H+](C)C1CCC1)[C@H]1C[NH+]2CCC1CC2 ZINC000900659877 623339734 /nfs/dbraw/zinc/33/97/34/623339734.db2.gz AZZQZXAGAYBPCH-AWEZNQCLSA-N 2 0 265.401 1.023 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000900696284 623356249 /nfs/dbraw/zinc/35/62/49/623356249.db2.gz YPMCRPUDCYPOHJ-HZSPNIEDSA-N 2 0 267.417 1.460 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000900803309 623505850 /nfs/dbraw/zinc/50/58/50/623505850.db2.gz ZJOXWVJXBCENBA-KGLIPLIRSA-N 2 0 279.428 1.413 10 0 CDAERP OC1(C2(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)CCOCC1 ZINC000903349966 625975908 /nfs/dbraw/zinc/97/59/08/625975908.db2.gz NAKJDPRBAZPUSP-GJZGRUSLSA-N 2 0 294.439 1.525 10 0 CDAERP CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](CC3CC[NH2+]CC3)C[C@@H]21 ZINC000903415980 625986594 /nfs/dbraw/zinc/98/65/94/625986594.db2.gz NQURJQFGEOLINU-HZSPNIEDSA-N 2 0 266.385 1.117 10 0 CDAERP COc1ccc([C@@H](CO)[N@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000903437145 625991682 /nfs/dbraw/zinc/99/16/82/625991682.db2.gz FVWIZPZQRFZVDJ-IVMMDQJWSA-N 2 0 278.396 1.516 10 0 CDAERP Cn1cc(C[C@H]2CC[N@H+](C[C@@H]3CC[C@H]([NH3+])C3)C2)cn1 ZINC000903445621 625999173 /nfs/dbraw/zinc/99/91/73/625999173.db2.gz MLJOAOQJSQYYFB-NFAWXSAZSA-N 2 0 262.401 1.412 10 0 CDAERP FC1(F)C[C@]2(CC[N@H+](C[C@@H]3CC[NH2+]C3)C2)C1(F)F ZINC000903490661 626010784 /nfs/dbraw/zinc/01/07/84/626010784.db2.gz BYZPBPCZOJYQRM-ZJUUUORDSA-N 2 0 266.282 1.962 10 0 CDAERP CCO[C@@H](C[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1)C1CC1 ZINC000903494372 626011299 /nfs/dbraw/zinc/01/12/99/626011299.db2.gz FPFHRSIDNOAJTJ-FQLMCAECSA-N 2 0 296.411 1.014 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C[C@@H]1CC[C@@H]3C[C@@H]3C1)C2 ZINC000903494342 626011455 /nfs/dbraw/zinc/01/14/55/626011455.db2.gz CTCGAZNCWHRTJS-IXYRMGKJSA-N 2 0 292.423 1.635 10 0 CDAERP C[C@]1([C@@H]2CCC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)COC(=O)N1 ZINC000903562136 626019613 /nfs/dbraw/zinc/01/96/13/626019613.db2.gz ZELHGABZWAYDKA-SQWLQELKSA-N 2 0 295.427 1.587 10 0 CDAERP C([C@H]1CCCC[NH2+]C1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000903751828 626073426 /nfs/dbraw/zinc/07/34/26/626073426.db2.gz MUSPFJZDMRROJT-LSDHHAIUSA-N 2 0 251.418 1.452 10 0 CDAERP C(CN1CCC2(CC[NH2+]2)CC1)OC1CCSCC1 ZINC000903761295 626081698 /nfs/dbraw/zinc/08/16/98/626081698.db2.gz PEIKWTYQENYKDV-UHFFFAOYSA-N 2 0 270.442 1.727 10 0 CDAERP C([C@H]1CCCC[NH2+]C1)[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000903759094 626088459 /nfs/dbraw/zinc/08/84/59/626088459.db2.gz OPKHQRBQAOENET-HNNXBMFYSA-N 2 0 282.428 1.505 10 0 CDAERP CC[C@H](C)C[N@H+](C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903885151 626132936 /nfs/dbraw/zinc/13/29/36/626132936.db2.gz IQPKHASGTZVSPW-STQMWFEESA-N 2 0 265.405 1.681 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@H+]2CC[C@@H](C(C)C)C2)cnn1C ZINC000903898924 626137558 /nfs/dbraw/zinc/13/75/58/626137558.db2.gz PNJUUFCGTHWOEU-HUUCEWRRSA-N 2 0 278.444 1.824 10 0 CDAERP O[C@@H](C[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccsc1 ZINC000903921856 626147477 /nfs/dbraw/zinc/14/74/77/626147477.db2.gz RLJMSYOAFDQSFJ-VWPFFFCUSA-N 2 0 266.410 1.902 10 0 CDAERP COC[C@H]([NH2+][C@H](C)C[C@@H]1CCC[NH2+]1)[C@H]1CCCOC1 ZINC000903959394 626159414 /nfs/dbraw/zinc/15/94/14/626159414.db2.gz HGCWVXZGXMNNCB-QPSCCSFWSA-N 2 0 270.417 1.548 10 0 CDAERP CCOC(=O)c1ccc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)o1 ZINC000903977109 626169908 /nfs/dbraw/zinc/16/99/08/626169908.db2.gz JIFIRACXHRXWKZ-VXGBXAGGSA-N 2 0 280.368 1.873 10 0 CDAERP C[C@H](CNC(=[NH2+])NC[C@H]1CCCS1)[N@H+](C)C1CC1 ZINC000905040701 626380067 /nfs/dbraw/zinc/38/00/67/626380067.db2.gz BFGMYVZCJHSXSO-ZYHUDNBSSA-N 2 0 270.446 1.479 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])NC[C@@H]2CCCS2)C1 ZINC000905041930 626381238 /nfs/dbraw/zinc/38/12/38/626381238.db2.gz LOAPOTLVOZBVSI-OLZOCXBDSA-N 2 0 284.473 1.728 10 0 CDAERP CC[NH+](CC)CCCNC(=[NH2+])NC[C@H]1CCCS1 ZINC000905041869 626381419 /nfs/dbraw/zinc/38/14/19/626381419.db2.gz NCKYFXZOTRBOLJ-GFCCVEGCSA-N 2 0 272.462 1.728 10 0 CDAERP CN(C(=O)[C@@H]1[NH2+]CCCC1(C)C)c1cc(C[NH3+])ccn1 ZINC000906227987 627157841 /nfs/dbraw/zinc/15/78/41/627157841.db2.gz RREFXWOPIVTBBF-ZDUSSCGKSA-N 2 0 276.384 1.281 10 0 CDAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC1CC([NH+](C)C)C1 ZINC000908010460 627971419 /nfs/dbraw/zinc/97/14/19/627971419.db2.gz ZEYVXZMGAJFDOT-ZSVAQUKISA-N 2 0 253.390 1.068 10 0 CDAERP C[NH+](C)CCCC(C)(C)NC(=O)C12CC[NH+](CC1)C2 ZINC000909019920 628482326 /nfs/dbraw/zinc/48/23/26/628482326.db2.gz MHUABIQYSMZTKG-UHFFFAOYSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@H](C(=O)N[C@@]1(C)C[NH+]2CCC1CC2)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000912379612 629952433 /nfs/dbraw/zinc/95/24/33/629952433.db2.gz OGCKXZXJRDOWRM-OEUWWYETSA-N 2 0 293.455 1.848 10 0 CDAERP C/C(=C(/F)C(=O)NCCN(C)CCC[NH+](C)C)C1CC1 ZINC000912386282 629956381 /nfs/dbraw/zinc/95/63/81/629956381.db2.gz CKDFEZLPIFIPBR-OWBHPGMISA-N 2 0 285.407 1.640 10 0 CDAERP O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)C12CC[NH+](CC1)C2 ZINC000912508457 630049022 /nfs/dbraw/zinc/04/90/22/630049022.db2.gz WAIPCBWHASHBGZ-AWEZNQCLSA-N 2 0 291.439 1.605 10 0 CDAERP C[N@H+](CC(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1)C1CCC1 ZINC000913274969 630427667 /nfs/dbraw/zinc/42/76/67/630427667.db2.gz ROCRAFGLXTZNDD-HZPDHXFCSA-N 2 0 279.428 1.271 10 0 CDAERP O=C(NC12CC[NH+](CC1)C2)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000913629308 630719220 /nfs/dbraw/zinc/71/92/20/630719220.db2.gz WMHNGPACHSBMJU-MRXNPFEDSA-N 2 0 299.418 1.615 10 0 CDAERP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)C1 ZINC000929764513 630850540 /nfs/dbraw/zinc/85/05/40/630850540.db2.gz WGTWHRMINBNZPC-YVSFHVDLSA-N 2 0 294.439 1.454 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)C2(O)CCCC2)C1 ZINC000929778999 630935615 /nfs/dbraw/zinc/93/56/15/630935615.db2.gz MHNVTMGSWMUCAO-GJZGRUSLSA-N 2 0 284.444 1.316 10 0 CDAERP C[C@@H]1[C@H](NC(=O)N[C@H]2CC[NH+]3CCC[C@@H]3C2)CC[N@@H+]1C ZINC000914151313 631069826 /nfs/dbraw/zinc/06/98/26/631069826.db2.gz ZWKNUPNAFZVSKV-XJFOESAGSA-N 2 0 280.416 1.005 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000916874325 632096023 /nfs/dbraw/zinc/09/60/23/632096023.db2.gz VTNKYCCYXWSNHC-KFWWJZLASA-N 2 0 296.459 1.499 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001670686514 1158692421 /nfs/dbraw/zinc/69/24/21/1158692421.db2.gz GTECZKLLCZMFTE-AWFCHZOYSA-N 2 0 293.455 1.875 10 0 CDAERP CCC[NH2+][C@@H]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001691246846 1158972698 /nfs/dbraw/zinc/97/26/98/1158972698.db2.gz BCOUQDNISBHSKC-UONOGXRCSA-N 2 0 269.433 1.613 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CC1CCCC1 ZINC001731795478 1159342025 /nfs/dbraw/zinc/34/20/25/1159342025.db2.gz RBPVBVFMQOKQDI-CQSZACIVSA-N 2 0 267.417 1.176 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC001632386636 1166344932 /nfs/dbraw/zinc/34/49/32/1166344932.db2.gz PWSBQURJMSOMKE-VXGBXAGGSA-N 2 0 255.406 1.173 10 0 CDAERP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC001647283680 1168522753 /nfs/dbraw/zinc/52/27/53/1168522753.db2.gz YHPCRDRDQVWMHA-KKUMJFAQSA-N 2 0 281.444 1.741 10 0 CDAERP CC[C@@H](C(=O)N1CC[C@H](C[NH2+]CCCF)C1)[NH+](C)C ZINC001567141363 1168593551 /nfs/dbraw/zinc/59/35/51/1168593551.db2.gz ZVGISYJCZFJBJB-OLZOCXBDSA-N 2 0 273.396 1.124 10 0 CDAERP C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C4CC4)CC3)[C@H]2C1 ZINC001649359500 1169238158 /nfs/dbraw/zinc/23/81/58/1169238158.db2.gz XULAPAUGLSCMED-CWRNSKLLSA-N 2 0 291.439 1.317 10 0 CDAERP Cc1cc(C[N@H+](C)CCCN2CC[NH+](C)CC2)c(C)nn1 ZINC001650051202 1169653485 /nfs/dbraw/zinc/65/34/85/1169653485.db2.gz ZMJCWTMGSBAHKF-UHFFFAOYSA-N 2 0 291.443 1.163 10 0 CDAERP CCOCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001569856465 1170018555 /nfs/dbraw/zinc/01/85/55/1170018555.db2.gz SYOMSGIDPXFJTK-GJZGRUSLSA-N 2 0 299.459 1.047 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@@H](CC[NH2+]CC2CC2)C1 ZINC001570013344 1170059569 /nfs/dbraw/zinc/05/95/69/1170059569.db2.gz JJBNCCINNSSRTF-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP COCC[NH2+]C1(C)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001570375645 1170147049 /nfs/dbraw/zinc/14/70/49/1170147049.db2.gz YQKGKQQDORETEM-AWEZNQCLSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@H](CCNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CCCF ZINC001662935127 1172618097 /nfs/dbraw/zinc/61/80/97/1172618097.db2.gz OWZZEDOQEIBVTQ-CQSZACIVSA-N 2 0 299.434 1.706 10 0 CDAERP CC/C=C/CC[NH+]1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001665350052 1172983154 /nfs/dbraw/zinc/98/31/54/1172983154.db2.gz FYSOAOHTZFZWFK-ONEGZZNKSA-N 2 0 291.439 1.487 10 0 CDAERP COCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001666630450 1173163907 /nfs/dbraw/zinc/16/39/07/1173163907.db2.gz WSICSDYCLKJSPP-HUUCEWRRSA-N 2 0 299.459 1.238 10 0 CDAERP CC(C)[NH2+]C/C=C\CNC(=O)C12CCC[NH+]1CCC2 ZINC001668912899 1173478740 /nfs/dbraw/zinc/47/87/40/1173478740.db2.gz WDKFKTGKHVULGQ-ARJAWSKDSA-N 2 0 265.401 1.285 10 0 CDAERP CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001671752941 1173709825 /nfs/dbraw/zinc/70/98/25/1173709825.db2.gz KYKOPZVCOZMPRF-GDBMZVCRSA-N 2 0 281.444 1.709 10 0 CDAERP CCOCC[NH2+][C@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001690574460 1175508574 /nfs/dbraw/zinc/50/85/74/1175508574.db2.gz APDJWPVWRAFVBH-CQSZACIVSA-N 2 0 299.459 1.382 10 0 CDAERP CCCCC[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001698845705 1175960325 /nfs/dbraw/zinc/96/03/25/1175960325.db2.gz NLTQDICQRSNZJQ-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H](C[NH2+]CCF)N(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001698859897 1175967098 /nfs/dbraw/zinc/96/70/98/1175967098.db2.gz GQUOHVNRCUYKST-ZDUSSCGKSA-N 2 0 299.434 1.514 10 0 CDAERP C[C@H](C[NH2+]C/C=C/Cl)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001698861027 1175967191 /nfs/dbraw/zinc/96/71/91/1175967191.db2.gz RQZXLKXVGZGTSH-XCOQAZTISA-N 2 0 273.808 1.127 10 0 CDAERP C[C@@H](CC[NH2+]CC1CCC1)NC(=O)C1([NH+](C)C)CCC1 ZINC001699105194 1176095091 /nfs/dbraw/zinc/09/50/91/1176095091.db2.gz DWERSLKQUVLONM-ZDUSSCGKSA-N 2 0 281.444 1.755 10 0 CDAERP Cc1cncc(C[NH2+]CC[C@H](C)NC(=O)CC[NH+](C)C)c1 ZINC001699131720 1176107330 /nfs/dbraw/zinc/10/73/30/1176107330.db2.gz QPZKZGAJDAFSLR-AWEZNQCLSA-N 2 0 292.427 1.326 10 0 CDAERP CN(CCC[NH2+]Cc1ccccc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001699550769 1176471877 /nfs/dbraw/zinc/47/18/77/1176471877.db2.gz LAMCAEUAPHZOHR-INIZCTEOSA-N 2 0 289.423 1.576 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CCC1 ZINC001700132229 1176763100 /nfs/dbraw/zinc/76/31/00/1176763100.db2.gz VAVGPUNZPOZLCJ-UHFFFAOYSA-N 2 0 281.444 1.899 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001700145204 1176769584 /nfs/dbraw/zinc/76/95/84/1176769584.db2.gz RXJRQQSFXYMNOU-ZDUSSCGKSA-N 2 0 267.417 1.509 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C/C=C/Cl)C1 ZINC001700640175 1177049418 /nfs/dbraw/zinc/04/94/18/1177049418.db2.gz WRHGBHCIROHDOM-XCNQMYHQSA-N 2 0 299.846 1.708 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC2CCCC2)C1 ZINC001713168149 1178409366 /nfs/dbraw/zinc/40/93/66/1178409366.db2.gz YIQGKEPDGRMICK-HDJSIYSDSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)CCC[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001713448099 1178566628 /nfs/dbraw/zinc/56/66/28/1178566628.db2.gz RFUDNLWRCPQEPG-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)=CC[N@H+]1CCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001713512119 1178617746 /nfs/dbraw/zinc/61/77/46/1178617746.db2.gz HMVXEERLWLIYIQ-HNNXBMFYSA-N 2 0 281.444 1.875 10 0 CDAERP CC[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001713625706 1178686707 /nfs/dbraw/zinc/68/67/07/1178686707.db2.gz HTSUUMSVXUOJMR-HNNXBMFYSA-N 2 0 281.444 1.851 10 0 CDAERP CC/C=C\CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001713961700 1178893327 /nfs/dbraw/zinc/89/33/27/1178893327.db2.gz RJGVCGZXPIQIHN-XHPSBEMXSA-N 2 0 281.444 1.875 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001714345631 1179097307 /nfs/dbraw/zinc/09/73/07/1179097307.db2.gz FFOHULQRLNSNON-MGPQQGTHSA-N 2 0 285.407 1.409 10 0 CDAERP CCOCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001714615736 1179269999 /nfs/dbraw/zinc/26/99/99/1179269999.db2.gz AEGOOBIIIKDBCL-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP CCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001714624309 1179275533 /nfs/dbraw/zinc/27/55/33/1179275533.db2.gz MZPWEGYPOFTNHD-QLFBSQMISA-N 2 0 283.460 1.953 10 0 CDAERP CCCC[NH2+]C[C@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001714730659 1179364056 /nfs/dbraw/zinc/36/40/56/1179364056.db2.gz OIDOEBHVVYSJQH-ZDUSSCGKSA-N 2 0 269.433 1.565 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]CC(C)C ZINC001714797698 1179402308 /nfs/dbraw/zinc/40/23/08/1179402308.db2.gz MVVFDEURFGOFNF-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001714821240 1179411461 /nfs/dbraw/zinc/41/14/61/1179411461.db2.gz GVAMVTXXJUQNCT-OLZOCXBDSA-N 2 0 285.407 1.267 10 0 CDAERP CCCC[NH+]1CC(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001714983350 1179489729 /nfs/dbraw/zinc/48/97/29/1179489729.db2.gz XPIPUVZMLJMFSO-UHFFFAOYSA-N 2 0 255.406 1.175 10 0 CDAERP COCCC[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001715351092 1179638557 /nfs/dbraw/zinc/63/85/57/1179638557.db2.gz DDNXUKRGUWNTFF-AWEZNQCLSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)C[NH2+]CC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001716187926 1180089102 /nfs/dbraw/zinc/08/91/02/1180089102.db2.gz UAYUHMKAKGTKBP-KBPBESRZSA-N 2 0 269.433 1.469 10 0 CDAERP C[C@H](C[NH2+]CC1CCCC1)NC(=O)C[NH+]1CCCC1 ZINC001716423091 1180197891 /nfs/dbraw/zinc/19/78/91/1180197891.db2.gz DGQDUUBKBLQWHQ-CYBMUJFWSA-N 2 0 267.417 1.367 10 0 CDAERP C[C@@H](C[NH2+]C/C=C/Cl)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001716448157 1180215039 /nfs/dbraw/zinc/21/50/39/1180215039.db2.gz VBAWOAUASMOSIK-SYTKJHMZSA-N 2 0 287.835 1.708 10 0 CDAERP CC/C=C/CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001716628937 1180314862 /nfs/dbraw/zinc/31/48/62/1180314862.db2.gz PUEWGQTYKRXJME-SWJNODNISA-N 2 0 293.455 1.779 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@H]2C[NH2+]CCC2CC2)C1 ZINC001716787510 1180414663 /nfs/dbraw/zinc/41/46/63/1180414663.db2.gz BERSYIPUPWHOFR-HOTGVXAUSA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]CCCF)C1 ZINC001716974595 1180486759 /nfs/dbraw/zinc/48/67/59/1180486759.db2.gz CMZJYSFNTCJAOY-KGLIPLIRSA-N 2 0 287.423 1.513 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001717336247 1180620509 /nfs/dbraw/zinc/62/05/09/1180620509.db2.gz FATYCTAFPFUXKT-HUUCEWRRSA-N 2 0 281.444 1.873 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001717424540 1180665091 /nfs/dbraw/zinc/66/50/91/1180665091.db2.gz HKEAKOUOLWAJON-KGLIPLIRSA-N 2 0 281.444 1.777 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@H]1C[C@H](C[NH2+]C/C=C/Cl)C1 ZINC001717646912 1180772145 /nfs/dbraw/zinc/77/21/45/1180772145.db2.gz RRCRZYFBLDCLAK-SKTRJTJASA-N 2 0 287.835 1.565 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H](C[NH2+]CCCF)C2)C1 ZINC001717647870 1180773034 /nfs/dbraw/zinc/77/30/34/1180773034.db2.gz HNAWBBFFICCPAO-IHRRRGAJSA-N 2 0 285.407 1.172 10 0 CDAERP CCCCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001717901351 1180919951 /nfs/dbraw/zinc/91/99/51/1180919951.db2.gz YPJUOMJTZJTDIH-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP CCOCC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)[C@@H](C)C1 ZINC001723878914 1181614354 /nfs/dbraw/zinc/61/43/54/1181614354.db2.gz YKQFHORRHYUUJR-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP CC[NH2+]CC[C@H]1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001724732829 1181734970 /nfs/dbraw/zinc/73/49/70/1181734970.db2.gz CWOKVSSEGVTYMP-HOCLYGCPSA-N 2 0 279.428 1.320 10 0 CDAERP CCCCCC[N@H+](C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CC)C1 ZINC001724952184 1181806642 /nfs/dbraw/zinc/80/66/42/1181806642.db2.gz YRPORHZWSDQHNZ-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CCOCC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)[C@H]1C ZINC001725635157 1182078866 /nfs/dbraw/zinc/07/88/66/1182078866.db2.gz QIZIWGMDAPHWAQ-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP CC/C=C\CC[NH2+]C1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001725785211 1182131196 /nfs/dbraw/zinc/13/11/96/1182131196.db2.gz ZZMVCYMKWOVOAF-SREVYHEPSA-N 2 0 281.444 1.873 10 0 CDAERP C[NH+](C)CCC(=O)NCCC[N@H+](C)CC1CC2(CCC2)C1 ZINC001731261699 1182281695 /nfs/dbraw/zinc/28/16/95/1182281695.db2.gz CZWYXQKPENENBZ-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CC[N@H+](CCCNC(=O)C[C@H](C)n1ccnc1)C1CC1 ZINC001731340871 1182327958 /nfs/dbraw/zinc/32/79/58/1182327958.db2.gz NKNOYBVQDHJKRT-ZDUSSCGKSA-N 2 0 278.400 1.825 10 0 CDAERP CC/C=C\CC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001731492149 1182417278 /nfs/dbraw/zinc/41/72/78/1182417278.db2.gz SLPRTVXVPHFUBD-JQBDECOXSA-N 2 0 279.428 1.675 10 0 CDAERP CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001731553870 1182446556 /nfs/dbraw/zinc/44/65/56/1182446556.db2.gz ZUVVEXXCVGOLGJ-WBVHZDCISA-N 2 0 293.455 1.853 10 0 CDAERP C[C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCOC1CCC1 ZINC001731723804 1182533142 /nfs/dbraw/zinc/53/31/42/1182533142.db2.gz NQDBJRXGXTWRRD-HIFRSBDPSA-N 2 0 297.443 1.134 10 0 CDAERP CC1CC(C[NH2+]CCN(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001731967351 1182706103 /nfs/dbraw/zinc/70/61/03/1182706103.db2.gz XXRPKLKDXOSTLX-UHFFFAOYSA-N 2 0 295.471 1.812 10 0 CDAERP CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001732279280 1182892171 /nfs/dbraw/zinc/89/21/71/1182892171.db2.gz HHOLWRBPAOIXOF-UXIGCNINSA-N 2 0 267.417 1.221 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)C[NH2+]CCC(F)(F)F ZINC001732373373 1182927551 /nfs/dbraw/zinc/92/75/51/1182927551.db2.gz PQLZCDULWVBBQT-NSHDSACASA-N 2 0 297.365 1.621 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]C/C=C\Cl ZINC001732451994 1182972023 /nfs/dbraw/zinc/97/20/23/1182972023.db2.gz DEVXHJPATHUECY-DGMVEKRQSA-N 2 0 275.824 1.517 10 0 CDAERP COCC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001732563913 1183011934 /nfs/dbraw/zinc/01/19/34/1183011934.db2.gz WRBDGZBISCKZQS-LSDHHAIUSA-N 2 0 299.459 1.236 10 0 CDAERP CCC[NH2+]C/C=C/CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001732907916 1183179224 /nfs/dbraw/zinc/17/92/24/1183179224.db2.gz FZUABOXAWGUBDN-LFAOLKIESA-N 2 0 281.444 1.923 10 0 CDAERP CC[C@H](C)C[NH2+]C/C=C/CNC(=O)C[NH+]1CCCC1 ZINC001732935506 1183190117 /nfs/dbraw/zinc/19/01/17/1183190117.db2.gz KPQDKVQJOTWLRD-NNTXTVRGSA-N 2 0 267.417 1.390 10 0 CDAERP CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001733039137 1183256792 /nfs/dbraw/zinc/25/67/92/1183256792.db2.gz SWZZAOHTKGJLLD-QWHCGFSZSA-N 2 0 255.406 1.316 10 0 CDAERP CN(CCC[NH2+]CCC(C)(C)C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001733144206 1183306280 /nfs/dbraw/zinc/30/62/80/1183306280.db2.gz SEZCKZHGOCPQCX-AWEZNQCLSA-N 2 0 283.460 1.812 10 0 CDAERP CC(C)=CC[NH2+]CCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001733143735 1183306163 /nfs/dbraw/zinc/30/61/63/1183306163.db2.gz VBMZEJNIVYTQGV-HNNXBMFYSA-N 2 0 281.444 1.733 10 0 CDAERP CC[C@@H](C)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001733270236 1183377199 /nfs/dbraw/zinc/37/71/99/1183377199.db2.gz YASGVESLMQPMJL-CHWSQXEVSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C[NH2+]CCF ZINC001733555502 1183465590 /nfs/dbraw/zinc/46/55/90/1183465590.db2.gz CTMAPONPNKEZRU-GJZGRUSLSA-N 2 0 299.434 1.372 10 0 CDAERP CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001733660140 1183492285 /nfs/dbraw/zinc/49/22/85/1183492285.db2.gz BZAGPOYMCZDIRQ-ZNMIVQPWSA-N 2 0 281.444 1.565 10 0 CDAERP CCC[NH2+]CC1CC(NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001733950338 1183581322 /nfs/dbraw/zinc/58/13/22/1183581322.db2.gz PRXRKNHXAKCVRO-JXQTWKCFSA-N 2 0 267.417 1.365 10 0 CDAERP CCCCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001734065099 1183644135 /nfs/dbraw/zinc/64/41/35/1183644135.db2.gz LLDWCHWRDUZWCC-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)OCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001734427734 1183776054 /nfs/dbraw/zinc/77/60/54/1183776054.db2.gz JRVGQYNJBGQWDD-LSDHHAIUSA-N 2 0 299.459 1.331 10 0 CDAERP Cc1n[nH]c(=O)c(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)c1C ZINC001771933847 1186584931 /nfs/dbraw/zinc/58/49/31/1186584931.db2.gz REJNWFMMGMGPKV-NWDGAFQWSA-N 2 0 278.400 1.795 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000377764699 1186684875 /nfs/dbraw/zinc/68/48/75/1186684875.db2.gz IIVLRFXUKOMTTN-HRCADAONSA-N 2 0 293.455 1.804 10 0 CDAERP C[NH+](C)C1(C(=O)N2CC[C@H]([NH+]3CCC3)C2)CCCC1 ZINC001633493367 1166427165 /nfs/dbraw/zinc/42/71/65/1166427165.db2.gz KVXVJNKCZMFROQ-ZDUSSCGKSA-N 2 0 265.401 1.167 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[N@H+](C)CC1(C)C)[NH+](CC)CC ZINC001635649902 1166607560 /nfs/dbraw/zinc/60/75/60/1166607560.db2.gz SJEOIJIZOAWJBC-STQMWFEESA-N 2 0 269.433 1.563 10 0 CDAERP C[N@@H+]1CCN(C(=O)C[C@@H]([NH3+])C2CC2)CCC1(C)C ZINC000712672104 828840538 /nfs/dbraw/zinc/84/05/38/828840538.db2.gz GOHZBIZUFAYVHX-GFCCVEGCSA-N 2 0 253.390 1.057 10 0 CDAERP C[NH+](C)C[C@@H]1CN(c2cncc(Cl)n2)C[C@H]1C[NH+](C)C ZINC000705939197 832996572 /nfs/dbraw/zinc/99/65/72/832996572.db2.gz XNVBNPCJLIGABP-VXGBXAGGSA-N 2 0 297.834 1.306 10 0 CDAERP CN1CC[NH+]=C1NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000849045777 833009808 /nfs/dbraw/zinc/00/98/08/833009808.db2.gz GEHNHIZRUZFJIZ-CABCVRRESA-N 2 0 272.396 1.223 10 0 CDAERP C[C@H]1C[N@H+](CCOCC(F)(F)F)CC[C@@H]1C[NH3+] ZINC000122296113 833069687 /nfs/dbraw/zinc/06/96/87/833069687.db2.gz WFJMPIYRXORIJL-VHSXEESVSA-N 2 0 254.296 1.482 10 0 CDAERP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000854651052 833097622 /nfs/dbraw/zinc/09/76/22/833097622.db2.gz VNPLWQKMLPVRCF-XJKCOSOUSA-N 2 0 299.434 1.750 10 0 CDAERP C[C@@]1(C[NH+]2CCC(C3OCCO3)CC2)CC[NH2+]C1 ZINC000261881757 833278500 /nfs/dbraw/zinc/27/85/00/833278500.db2.gz RAGHXOCNSJSPPW-CQSZACIVSA-N 2 0 254.374 1.071 10 0 CDAERP CSC1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923410418 833303256 /nfs/dbraw/zinc/30/32/56/833303256.db2.gz HJLLLCNNHRWPNW-LLVKDONJSA-N 2 0 256.415 1.192 10 0 CDAERP CN(C)C1(CNC(=[NH2+])NCCc2cccs2)CC1 ZINC000849043203 833303356 /nfs/dbraw/zinc/30/33/56/833303356.db2.gz HUAVKWHUZZAYHS-UHFFFAOYSA-N 2 0 266.414 1.499 10 0 CDAERP [NH3+][C@H](CC(=O)N1CCC(C[NH+]2CCCC2)CC1)C1CC1 ZINC000123862644 833322775 /nfs/dbraw/zinc/32/27/75/833322775.db2.gz IVSRWVSXCMWTSH-OAHLLOKOSA-N 2 0 279.428 1.448 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C=C2CC[NH2+]CC2)[C@@H](C)C1 ZINC000852869670 828889047 /nfs/dbraw/zinc/88/90/47/828889047.db2.gz DHHPLESWWXZYJG-ZFWWWQNUSA-N 2 0 279.428 1.485 10 0 CDAERP C[N@@H+]1CCC[C@@H]2CN(C[C@@]3(C)CC[NH2+]C3)CC[C@H]21 ZINC000167588218 828892240 /nfs/dbraw/zinc/89/22/40/828892240.db2.gz KKKOQXJXXZHGSB-KFWWJZLASA-N 3 0 251.418 1.402 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)CCC23CC(C2)C[NH2+]3)CC1 ZINC000870875136 828893451 /nfs/dbraw/zinc/89/34/51/828893451.db2.gz YRDWWFLSKKJSJJ-UHFFFAOYSA-N 2 0 293.455 1.899 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](O)c2cccc(F)c2)C12CCC2 ZINC000925484163 828899466 /nfs/dbraw/zinc/89/94/66/828899466.db2.gz CCJCZNZKHWVOKF-MJBXVCDLSA-N 2 0 264.344 1.719 10 0 CDAERP CC[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H](C)[NH2+]1 ZINC000856409133 833337336 /nfs/dbraw/zinc/33/73/36/833337336.db2.gz FBUAVDHWPOKPCT-LSDHHAIUSA-N 2 0 281.444 1.851 10 0 CDAERP COCC[N@H+](C)CCCN[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925541070 828974986 /nfs/dbraw/zinc/97/49/86/828974986.db2.gz AEUXGYDYNHZPFQ-IRXDYDNUSA-N 3 0 297.487 1.713 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC000870877019 833341751 /nfs/dbraw/zinc/34/17/51/833341751.db2.gz ZLTGMJMILVIJBS-SHTZXODSSA-N 2 0 281.444 1.742 10 0 CDAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CC[C@@H]1CCCCO1)CC2 ZINC000923450757 828989514 /nfs/dbraw/zinc/98/95/14/828989514.db2.gz IFDRAPRWWBTEFO-LSDHHAIUSA-N 2 0 282.428 1.775 10 0 CDAERP CC[C@@H]1CCC[C@@H]([NH2+]CCN2CCC([NH3+])CC2)C1 ZINC000925808955 828993602 /nfs/dbraw/zinc/99/36/02/828993602.db2.gz FLDLJSXBYWRKFJ-UKRRQHHQSA-N 2 0 253.434 1.968 10 0 CDAERP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923499894 829002600 /nfs/dbraw/zinc/00/26/00/829002600.db2.gz UYNPZVBFRVGIKZ-UPJWGTAASA-N 2 0 255.406 1.158 10 0 CDAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000251899175 829006002 /nfs/dbraw/zinc/00/60/02/829006002.db2.gz WGQORCPBHCWTDZ-WFASDCNBSA-N 2 0 288.395 1.846 10 0 CDAERP CC[C@@H]1CCN(C(=[NH2+])NC[C@@H](C)[NH+](CC)CC)C1 ZINC000864453530 829018058 /nfs/dbraw/zinc/01/80/58/829018058.db2.gz MXKWFIQXHOLIRT-CHWSQXEVSA-N 2 0 254.422 1.973 10 0 CDAERP C[C@@H]1COC[C@@H](C)C1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000925215804 833348197 /nfs/dbraw/zinc/34/81/97/833348197.db2.gz PFODKCQRYITDGJ-ZIAGYGMSSA-N 2 0 283.460 1.273 10 0 CDAERP CN(C[C@H]1CCC[N@@H+]1C)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000868391437 833351115 /nfs/dbraw/zinc/35/11/15/833351115.db2.gz KRAATFFYHDFGDY-ZBFHGGJFSA-N 2 0 282.476 1.624 10 0 CDAERP C([NH2+][C@@H]1CCCSC1)[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290739 829062653 /nfs/dbraw/zinc/06/26/53/829062653.db2.gz GVGHXYTZFJWDLD-OLZOCXBDSA-N 2 0 270.442 1.630 10 0 CDAERP [NH3+]Cc1cccc2c1N(C(=O)[C@]13C[C@H]1C[C@H]([NH3+])C3)CCC2 ZINC000872309175 829067359 /nfs/dbraw/zinc/06/73/59/829067359.db2.gz SGYUHZZRDXRWIR-KEYYUXOJSA-N 2 0 285.391 1.552 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CC[C@@H]2C2CC2)CC1 ZINC000854231293 829069585 /nfs/dbraw/zinc/06/95/85/829069585.db2.gz IRDBBUODLOVQHL-HZPDHXFCSA-N 2 0 293.455 1.755 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925797513 829076516 /nfs/dbraw/zinc/07/65/16/829076516.db2.gz UGBUOZXLMISWFJ-MQYQWHSLSA-N 3 0 253.434 1.728 10 0 CDAERP Cn1nnnc1CN1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158853 833364768 /nfs/dbraw/zinc/36/47/68/833364768.db2.gz YJCIDJBEUWTEMY-OCCSQVGLSA-N 2 0 292.431 1.330 10 0 CDAERP C[NH+]1CCC(O)(CNCc2nc(C(C)(C)C)co2)CC1 ZINC000724408872 833362092 /nfs/dbraw/zinc/36/20/92/833362092.db2.gz VNTYSFJNMDYUIM-UHFFFAOYSA-N 2 0 281.400 1.518 10 0 CDAERP C[NH+](C)CC[C@@H](NC(=O)C[NH+]1CCCC1)c1cccnc1 ZINC000928833819 829156148 /nfs/dbraw/zinc/15/61/48/829156148.db2.gz HCQFSIZUJLXAKB-OAHLLOKOSA-N 2 0 290.411 1.286 10 0 CDAERP COC1(OC)CC[C@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000926308136 833369685 /nfs/dbraw/zinc/36/96/85/833369685.db2.gz MEYPECXMMBCSNW-CQSZACIVSA-N 2 0 268.401 1.602 10 0 CDAERP CON(C)C(=O)CC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000799124542 829208554 /nfs/dbraw/zinc/20/85/54/829208554.db2.gz NGJXUMXJOIEGSO-AWEZNQCLSA-N 2 0 283.416 1.347 10 0 CDAERP C[N@@H+]1CC[C@@H]2C[NH+](CC[C@H]3CCCCO3)C[C@@H]2C1 ZINC000931435910 829246107 /nfs/dbraw/zinc/24/61/07/829246107.db2.gz IXNPEZIAGKTQMQ-QLFBSQMISA-N 2 0 252.402 1.829 10 0 CDAERP C[NH+]1CCC(C(=O)N2CC[N@H+](C)C(C)(C)CC2)CC1 ZINC000871154378 833386554 /nfs/dbraw/zinc/38/65/54/833386554.db2.gz UHZCHTPBHDDNKZ-UHFFFAOYSA-N 2 0 267.417 1.271 10 0 CDAERP C[C@H]1C[N@H+](CCC(=O)Nc2cccnc2)CC[C@@H]1C[NH3+] ZINC000923496502 833393681 /nfs/dbraw/zinc/39/36/81/833393681.db2.gz AEVIDKRCWMPRPF-QWHCGFSZSA-N 2 0 276.384 1.327 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(C[NH3+])c2)[C@@H](C)C1 ZINC000844188673 829300752 /nfs/dbraw/zinc/30/07/52/829300752.db2.gz XPQFXMZIVINNJV-XJKSGUPXSA-N 2 0 289.423 1.948 10 0 CDAERP CC[NH+](CC)CC[C@@H](CO)NCc1cnn(C2CCC2)c1 ZINC000922220468 833390850 /nfs/dbraw/zinc/39/08/50/833390850.db2.gz ADCIABHLXULCRN-HNNXBMFYSA-N 2 0 294.443 1.791 10 0 CDAERP COCCC[N@H+](C)CCN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925520812 833392124 /nfs/dbraw/zinc/39/21/24/833392124.db2.gz YIIIMVGONJDJQF-DLBZAZTESA-N 2 0 297.487 1.713 10 0 CDAERP COc1cccc([C@H]2C[NH2+]CCN2CCC[NH2+]C2CC2)c1 ZINC000923422953 829377955 /nfs/dbraw/zinc/37/79/55/829377955.db2.gz OQPVAOZJTKVRKQ-QGZVFWFLSA-N 2 0 289.423 1.784 10 0 CDAERP CC[C@H]1CCN(C(=[NH2+])NCCCN2CCC[N@H+](C)CC2)C1 ZINC000864456205 829471896 /nfs/dbraw/zinc/47/18/96/829471896.db2.gz GOCHTLBUFMKJFW-HNNXBMFYSA-N 2 0 295.475 1.270 10 0 CDAERP COc1ccc([C@@H]2CN(CCOCC[NH3+])CCO2)cc1 ZINC000866704220 829541199 /nfs/dbraw/zinc/54/11/99/829541199.db2.gz RTTLCRCMSFYEKY-HNNXBMFYSA-N 2 0 280.368 1.044 10 0 CDAERP CN(CC[N@H+](C)CCc1ccns1)C1CC[NH+](C)CC1 ZINC000930112254 829575106 /nfs/dbraw/zinc/57/51/06/829575106.db2.gz BJGWWGWZCHCNTI-UHFFFAOYSA-N 2 0 296.484 1.643 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+]C2[C@@H](C)COC[C@@H]2C)CC1 ZINC000924667420 829623878 /nfs/dbraw/zinc/62/38/78/829623878.db2.gz JVEBZMBIEFXQSK-SOUVJXGZSA-N 2 0 283.460 1.273 10 0 CDAERP C[C@H]([NH2+]C[C@H](O)CC(C)(C)O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000872205641 829708164 /nfs/dbraw/zinc/70/81/64/829708164.db2.gz KWFVPHPAHXDQNS-SQWLQELKSA-N 2 0 298.471 1.751 10 0 CDAERP CCOC(=O)[C@@H](CC)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923451863 829805536 /nfs/dbraw/zinc/80/55/36/829805536.db2.gz QIGYUGRCKKJISW-QWHCGFSZSA-N 2 0 284.400 1.158 10 0 CDAERP CCO[C@@H]1C[N@H+](CCc2cccc(F)c2)C[C@H]1C[NH3+] ZINC000923389258 829836764 /nfs/dbraw/zinc/83/67/64/829836764.db2.gz UQBODZDUTVNEIM-UKRRQHHQSA-N 2 0 266.360 1.664 10 0 CDAERP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C[C@H]2CC3CCC2CC3)C1 ZINC000923280877 829839480 /nfs/dbraw/zinc/83/94/80/829839480.db2.gz JQDKAPOTMVWJMB-QDIHITRGSA-N 2 0 293.455 1.600 10 0 CDAERP COc1nccnc1C[N@@H+]1CCC[C@H](c2nccn2C)C1 ZINC000449285339 829848357 /nfs/dbraw/zinc/84/83/57/829848357.db2.gz DNVQXEXLNAOSRE-LBPRGKRZSA-N 2 0 287.367 1.598 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1CN(C2CC2)C(=O)O1 ZINC000848721365 829864809 /nfs/dbraw/zinc/86/48/09/829864809.db2.gz JFHCTDWYPBEWRU-JQWIXIFHSA-N 2 0 255.362 1.077 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cccnc2-n2ccnc2)C1 ZINC000848715375 829888247 /nfs/dbraw/zinc/88/82/47/829888247.db2.gz XLPDJOAXFUILAT-KGLIPLIRSA-N 2 0 271.368 1.627 10 0 CDAERP COCC[N@H+](C/C=C(/C)COC)CC1CC[NH+](C)CC1 ZINC000931381074 829900541 /nfs/dbraw/zinc/90/05/41/829900541.db2.gz UWGCBZDBEABDOF-WCSRMQSCSA-N 2 0 284.444 1.869 10 0 CDAERP CCO[C@H](CN[C@H](C)[C@@H]1CCCC[NH2+]1)C[NH+](C)C ZINC000925837634 829905126 /nfs/dbraw/zinc/90/51/26/829905126.db2.gz RVSCRMNFFBQHHR-MCIONIFRSA-N 2 0 257.422 1.073 10 0 CDAERP C[C@@H]1CCCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)[C@@H]1CCC[NH3+] ZINC000872304271 829913049 /nfs/dbraw/zinc/91/30/49/829913049.db2.gz HSQIHCNXZJHHFI-SSZWKKLZSA-N 2 0 279.428 1.480 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N(C)C1CC[NH+](C)CC1 ZINC000713055865 829956697 /nfs/dbraw/zinc/95/66/97/829956697.db2.gz BRPBYRVDUOCDOJ-ZDUSSCGKSA-N 2 0 269.433 1.549 10 0 CDAERP CN(CC[N@H+](C)CCC(C)(C)C)C(=O)CC[NH+](C)C ZINC001406135606 976053729 /nfs/dbraw/zinc/05/37/29/976053729.db2.gz RWAWFDOGBHOJNL-UHFFFAOYSA-N 2 0 271.449 1.765 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)N[C@H]1CC[NH2+]C12CCC2 ZINC000925668975 830038631 /nfs/dbraw/zinc/03/86/31/830038631.db2.gz MTGUMZRRIKFHRQ-KBPBESRZSA-N 2 0 253.434 1.981 10 0 CDAERP CC[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)[C@@H]1CCCOC1 ZINC000872035522 830109809 /nfs/dbraw/zinc/10/98/09/830109809.db2.gz WIWWSCGSVFKXBN-IAGOWNOFSA-N 2 0 297.487 1.809 10 0 CDAERP CC1(C)[C@H]([NH2+]CCc2nnc3ccccn32)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925511383 830197485 /nfs/dbraw/zinc/19/74/85/830197485.db2.gz MBCYXVATWUJBHL-UHOFOFEASA-N 2 0 299.422 1.638 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@@H+]1C ZINC000922736484 830203158 /nfs/dbraw/zinc/20/31/58/830203158.db2.gz BTESVYKUYWABQV-JWURUJNWSA-N 2 0 280.416 1.003 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC000844196626 830217608 /nfs/dbraw/zinc/21/76/08/830217608.db2.gz MHZNWFMNTNNNDS-ZIAGYGMSSA-N 2 0 267.417 1.367 10 0 CDAERP C(C[N@H+](C1CC1)C1CC[NH2+]CC1)O[C@H]1CCOC1 ZINC000923279633 830225832 /nfs/dbraw/zinc/22/58/32/830225832.db2.gz ANSKAWYFYHWEJQ-AWEZNQCLSA-N 2 0 254.374 1.008 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000926824402 830226571 /nfs/dbraw/zinc/22/65/71/830226571.db2.gz JZQPHSIKDDRBRA-YQJYENCQSA-N 2 0 264.413 1.874 10 0 CDAERP [NH3+]CC[C@@H]1CC[N@H+](C[C@@H]2CC[C@H](C(F)(F)F)O2)C1 ZINC000721503856 830255793 /nfs/dbraw/zinc/25/57/93/830255793.db2.gz FOMBBJNBIDOBJZ-OUAUKWLOSA-N 2 0 266.307 1.767 10 0 CDAERP [NH3+]C[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@H]1C(F)(F)F ZINC000709851839 830277876 /nfs/dbraw/zinc/27/78/76/830277876.db2.gz FUHNJWCDCVSIDI-HBNTYKKESA-N 2 0 266.307 1.482 10 0 CDAERP [NH3+]CCCCCCNC(=O)NCC1([NH3+])CCCCCC1 ZINC000831172570 830337578 /nfs/dbraw/zinc/33/75/78/830337578.db2.gz JUXONTQGYBRHLW-UHFFFAOYSA-N 2 0 284.448 1.856 10 0 CDAERP CC(C[NH+]1CC[C@@H](O)C1(C)C)C[N@@H+]1CC[C@@H](O)C1(C)C ZINC000812868435 830372565 /nfs/dbraw/zinc/37/25/65/830372565.db2.gz VZEFKWNTZRLGFS-ZIAGYGMSSA-N 2 0 284.444 1.313 10 0 CDAERP Nc1cc[nH+]cc1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000158909107 830403427 /nfs/dbraw/zinc/40/34/27/830403427.db2.gz LMMZIGUTXIOSBB-GHMZBOCLSA-N 2 0 260.341 1.020 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+](C)C(C)(C)CC1 ZINC000825350569 830509114 /nfs/dbraw/zinc/50/91/14/830509114.db2.gz RAYILFLBMUHJJV-ZDUSSCGKSA-N 2 0 267.417 1.413 10 0 CDAERP OC[C@H](C[NH2+][C@@H]1CCCN2CCCC[C@@H]12)[C@@H]1CCOC1 ZINC000926343831 830541317 /nfs/dbraw/zinc/54/13/17/830541317.db2.gz NLEAQCPWUUYADC-QXSJWSMHSA-N 2 0 282.428 1.238 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)[C@H]2[NH2+]CC2(C)C)C1 ZINC000870991341 830641653 /nfs/dbraw/zinc/64/16/53/830641653.db2.gz DVTXDMATOUVNRC-IAQYHMDHSA-N 2 0 267.417 1.208 10 0 CDAERP CCc1ccc([C@H](O)C[NH2+][C@H](CCC[NH3+])COC)cc1 ZINC000817929185 830701051 /nfs/dbraw/zinc/70/10/51/830701051.db2.gz KPEPGBAXWNGUBQ-HZPDHXFCSA-N 2 0 280.412 1.626 10 0 CDAERP CC(C)N1C(=O)C[N@H+](CC2CC[NH2+]CC2)CC1(C)C ZINC000262119640 830747225 /nfs/dbraw/zinc/74/72/25/830747225.db2.gz BUFSRJCWRXVPGL-UHFFFAOYSA-N 2 0 267.417 1.317 10 0 CDAERP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)CCCCCC[NH3+] ZINC000720902608 833767093 /nfs/dbraw/zinc/76/70/93/833767093.db2.gz UOKKDUBTQWVZFA-UONOGXRCSA-N 2 0 267.417 1.591 10 0 CDAERP CN1CC[NH+](CCCC[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925545885 832073463 /nfs/dbraw/zinc/07/34/63/832073463.db2.gz LKODWMNANVHSTL-CVEARBPZSA-N 3 0 296.503 1.510 10 0 CDAERP Cc1cc(CN2CC[NH2+]CC[NH2+]CC2)c(C)s1 ZINC000923460087 832104848 /nfs/dbraw/zinc/10/48/48/832104848.db2.gz PMGLCSSGHREEFG-UHFFFAOYSA-N 2 0 253.415 1.360 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1CCC2(CCC2)CO1)[C@H]1CC[NH2+]C1 ZINC000716601422 832139622 /nfs/dbraw/zinc/13/96/22/832139622.db2.gz NZNVDSWJAUCIDW-IHRRRGAJSA-N 2 0 252.402 1.923 10 0 CDAERP [NH3+]C1(CNC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)CCCC1 ZINC000851671517 832214592 /nfs/dbraw/zinc/21/45/92/832214592.db2.gz MTWCVVVYOSBLAE-CQSZACIVSA-N 2 0 280.416 1.043 10 0 CDAERP COCCCC[NH+]1CCC(N2CCCOCC2)CC1 ZINC000931287865 832217502 /nfs/dbraw/zinc/21/75/02/832217502.db2.gz VLTQZCYZRDUBTP-UHFFFAOYSA-N 2 0 270.417 1.600 10 0 CDAERP CC(C)n1ccc(C[NH2+]CC2CC[NH+](C)CC2)n1 ZINC000085161361 832241334 /nfs/dbraw/zinc/24/13/34/832241334.db2.gz DQHTZVYVMXZTFR-UHFFFAOYSA-N 2 0 250.390 1.895 10 0 CDAERP C[C@H]1C[N@H+](CC(=O)Nc2ccc(F)c(F)c2)CC[C@H]1C[NH3+] ZINC000923507345 832290316 /nfs/dbraw/zinc/29/03/16/832290316.db2.gz KKKJTDHUZCIJGB-QWRGUYRKSA-N 2 0 297.349 1.820 10 0 CDAERP CCO[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C[NH+](C)C ZINC000922753798 832314497 /nfs/dbraw/zinc/31/44/97/832314497.db2.gz JXPBOASTFACLDA-RRFJBIMHSA-N 2 0 269.433 1.170 10 0 CDAERP COC(=O)C1=CC[C@H]([NH2+][C@@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000863541983 832318307 /nfs/dbraw/zinc/31/83/07/832318307.db2.gz OMXRJOIJHHJFLM-KGYLQXTDSA-N 2 0 252.358 1.226 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000715579894 833825113 /nfs/dbraw/zinc/82/51/13/833825113.db2.gz RRSNQSGCKUNFLQ-YNEHKIRRSA-N 2 0 251.374 1.023 10 0 CDAERP c1sc(C2CCCC2)nc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000923462146 832385168 /nfs/dbraw/zinc/38/51/68/832385168.db2.gz DDERLNRNQRXZPE-UHFFFAOYSA-N 2 0 294.468 1.796 10 0 CDAERP CCO[C@@H]1C[C@@H]([NH2+]CCCCCN2CC[NH2+]CC2)C1(C)C ZINC000925844364 832391392 /nfs/dbraw/zinc/39/13/92/832391392.db2.gz KKJSOEDRQOUEMV-HZPDHXFCSA-N 2 0 297.487 1.855 10 0 CDAERP CC[NH2+]Cc1ccccc1NC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000841846117 833845297 /nfs/dbraw/zinc/84/52/97/833845297.db2.gz LTZLUIWFOWEFMN-CQSZACIVSA-N 2 0 291.395 1.503 10 0 CDAERP [NH3+]CCCCCCn1cc(C[C@H]2CCC[NH2+]C2)nn1 ZINC000849137591 832433742 /nfs/dbraw/zinc/43/37/42/832433742.db2.gz UVPVGXTUFHMTQY-CYBMUJFWSA-N 2 0 265.405 1.339 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000870989179 832440293 /nfs/dbraw/zinc/44/02/93/832440293.db2.gz GSMYLEUCOOZDCC-XUJVJEKNSA-N 2 0 267.417 1.337 10 0 CDAERP CC/C=C(/F)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000865749633 833854286 /nfs/dbraw/zinc/85/42/86/833854286.db2.gz UPWALPVRJKNFMW-DRRTZOGYSA-N 2 0 283.391 1.535 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000852906011 833875719 /nfs/dbraw/zinc/87/57/19/833875719.db2.gz LVIJIRRLDFAHLS-IAGOWNOFSA-N 2 0 299.418 1.558 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000925682874 832571807 /nfs/dbraw/zinc/57/18/07/832571807.db2.gz GZFYNEPVMTVVFG-IOUZAIRSSA-N 2 0 280.412 1.254 10 0 CDAERP CC1(C)OC[C@@H](C[NH+]2CCC(C[NH+]3CCCC3)CC2)O1 ZINC000851727352 832579043 /nfs/dbraw/zinc/57/90/43/832579043.db2.gz LFBZFIHJYGMXPR-OAHLLOKOSA-N 2 0 282.428 1.946 10 0 CDAERP CCN1CC[C@H]([NH+]2CCC(C(C)(C)C[NH3+])CC2)C1=O ZINC000714404239 832734166 /nfs/dbraw/zinc/73/41/66/832734166.db2.gz KGXWXGORYWHSKH-ZDUSSCGKSA-N 2 0 267.417 1.304 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870884596 832838275 /nfs/dbraw/zinc/83/82/75/832838275.db2.gz BCNDUEARTPEHNV-UHFFFAOYSA-N 2 0 267.417 1.367 10 0 CDAERP CC[C@H](C[C@@](C)(O)CC)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000926202405 832839426 /nfs/dbraw/zinc/83/94/26/832839426.db2.gz LEUKGOFMGZFEDM-ZACQAIPSSA-N 2 0 299.503 1.932 10 0 CDAERP C[NH+]1CCC(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)CC1 ZINC000709510071 832852834 /nfs/dbraw/zinc/85/28/34/832852834.db2.gz RCUPTHYYTKUNCO-HZPDHXFCSA-N 2 0 266.429 1.955 10 0 CDAERP CCO[C@@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)CN(C)C ZINC000926965758 832857212 /nfs/dbraw/zinc/85/72/12/832857212.db2.gz UDOGVGVTMQJRNH-HIFRSBDPSA-N 2 0 271.449 1.273 10 0 CDAERP [NH3+]CCCCCC[NH+]1CCN(CCc2cnccn2)CC1 ZINC000866697962 832858173 /nfs/dbraw/zinc/85/81/73/832858173.db2.gz JJLFFYZMMVTTRJ-UHFFFAOYSA-N 2 0 291.443 1.156 10 0 CDAERP CCc1ncc(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)o1 ZINC000923442371 832859551 /nfs/dbraw/zinc/85/95/51/832859551.db2.gz PACLZFZAWVEGLT-LBPRGKRZSA-N 2 0 279.384 1.567 10 0 CDAERP CCN(CC)C(=O)CCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925597838 832926595 /nfs/dbraw/zinc/92/65/95/832926595.db2.gz OJDGVCSCRYPYNY-CHWSQXEVSA-N 2 0 267.417 1.495 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)NCCCCCC[NH3+])CC1 ZINC000831123471 833501889 /nfs/dbraw/zinc/50/18/89/833501889.db2.gz SJOKNGWXNOAKIF-UHFFFAOYSA-N 2 0 298.475 1.927 10 0 CDAERP CN1C[C@]2(C)C[N@@H+]([C@H]3CCN(C(C)(C)C)C3=O)C[C@]2(C)C1 ZINC000931315964 833834123 /nfs/dbraw/zinc/83/41/23/833834123.db2.gz DZUGCJYEHXWIOS-RRQGHBQHSA-N 2 0 293.455 1.659 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2C[C@H]([NH3+])Cc3ccccc32)C1 ZINC000872299214 833834924 /nfs/dbraw/zinc/83/49/24/833834924.db2.gz ADOBSJPCTBHEGZ-VPWBDBDCSA-N 2 0 271.364 1.030 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CCC(C)(C)CO1 ZINC000925734021 833874992 /nfs/dbraw/zinc/87/49/92/833874992.db2.gz ZKICXSKOGXIZGU-XDQVBPFNSA-N 2 0 270.417 1.534 10 0 CDAERP C[C@@H]1[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC[N@@H+]1C ZINC000928430926 833915326 /nfs/dbraw/zinc/91/53/26/833915326.db2.gz ACYBNHUTLXOQQC-CZUORRHYSA-N 2 0 289.423 1.613 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000926726982 834218173 /nfs/dbraw/zinc/21/81/73/834218173.db2.gz XEZUOPDTDRGQAA-FUNVUKJBSA-N 2 0 288.382 1.857 10 0 CDAERP CC1(C)CO[C@H](C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)C1 ZINC000923447049 834269537 /nfs/dbraw/zinc/26/95/37/834269537.db2.gz PHMBZEXWPXXZNQ-KBPBESRZSA-N 2 0 282.428 1.631 10 0 CDAERP CC[NH+](CC)CCCC1CC[NH+](CC(=O)N(C)OC)CC1 ZINC000782528340 834324671 /nfs/dbraw/zinc/32/46/71/834324671.db2.gz ZPCPMZMWLVWXSN-UHFFFAOYSA-N 2 0 299.459 1.840 10 0 CDAERP C1[NH2+]C[C@H]2C[C@H]([NH2+][C@H]3CCCN4CCSC[C@@H]34)CC[C@H]12 ZINC000720485089 834334589 /nfs/dbraw/zinc/33/45/89/834334589.db2.gz SZFOMAWWDFEORD-SUJAAXHWSA-N 2 0 295.496 1.544 10 0 CDAERP CCC[C@H]([NH2+]CCN1CCC([NH3+])CC1)C1CCC1 ZINC000925816841 834433239 /nfs/dbraw/zinc/43/32/39/834433239.db2.gz JWLYLYYXDQIHSC-HNNXBMFYSA-N 2 0 253.434 1.968 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1CC[C@H](C2CC2)O1)[C@H]1CCC[NH2+]C1 ZINC000722320004 834583950 /nfs/dbraw/zinc/58/39/50/834583950.db2.gz KRDXARRGVNFUEJ-CYUUQNCZSA-N 2 0 252.402 1.922 10 0 CDAERP C[C@H](CN1CCOCC1)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925549391 834586397 /nfs/dbraw/zinc/58/63/97/834586397.db2.gz GVZYPVJZKQXEML-HZSPNIEDSA-N 2 0 269.433 1.203 10 0 CDAERP CN(C)c1ncc(C[NH2+]C2CCC(C)([NH+](C)C)CC2)cn1 ZINC000865765877 834613970 /nfs/dbraw/zinc/61/39/70/834613970.db2.gz QCLDKAGIRFAMRP-UHFFFAOYSA-N 2 0 291.443 1.895 10 0 CDAERP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000872035897 834787614 /nfs/dbraw/zinc/78/76/14/834787614.db2.gz ZDQODDCKBMFYDV-JKSUJKDBSA-N 2 0 295.471 1.704 10 0 CDAERP CN(C(=O)CC[NH2+]C(C)(C)C)[C@@H]1C[NH+]2CCC1CC2 ZINC000311729464 834813749 /nfs/dbraw/zinc/81/37/49/834813749.db2.gz QETYQNVTYCZJIP-CYBMUJFWSA-N 2 0 267.417 1.317 10 0 CDAERP CCC(C)(C)[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000925340448 834821392 /nfs/dbraw/zinc/82/13/92/834821392.db2.gz CNRZWNRTBLZPKA-KGLIPLIRSA-N 2 0 296.459 1.595 10 0 CDAERP CCc1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)[nH]n1 ZINC000925488145 834831038 /nfs/dbraw/zinc/83/10/38/834831038.db2.gz HHOTUZZGNPQCMV-ZYHUDNBSSA-N 2 0 250.390 1.968 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)c2csc(CN)n2)C1 ZINC000870993587 834847942 /nfs/dbraw/zinc/84/79/42/834847942.db2.gz JMOXZAQWLAJSLG-AWEZNQCLSA-N 2 0 296.440 1.439 10 0 CDAERP Brc1ccc(CN2CC[NH2+]CC[NH2+]CC2)cc1 ZINC000923465723 834858528 /nfs/dbraw/zinc/85/85/28/834858528.db2.gz JZGVZMUESJYFER-UHFFFAOYSA-N 2 0 298.228 1.444 10 0 CDAERP CC1CCN(C(=O)C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)CC1 ZINC000866704191 834868553 /nfs/dbraw/zinc/86/85/53/834868553.db2.gz RQWBYWJGPKBRMQ-QGZVFWFLSA-N 2 0 295.471 1.942 10 0 CDAERP CC(C)[C@@H](C[NH2+]CC1(O)CCCCC1)N1CC[NH+](C)CC1 ZINC000819062431 834875581 /nfs/dbraw/zinc/87/55/81/834875581.db2.gz PSZKGEXXOWNTDG-MRXNPFEDSA-N 2 0 297.487 1.543 10 0 CDAERP [NH3+]CCCCCC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000825546729 835036403 /nfs/dbraw/zinc/03/64/03/835036403.db2.gz AALQCFDSTPYYLF-UONOGXRCSA-N 2 0 267.417 1.496 10 0 CDAERP C[C@H](CN[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C[NH+](C)C ZINC000926475678 835037548 /nfs/dbraw/zinc/03/75/48/835037548.db2.gz VJZLKTYTIHZHTA-KFWWJZLASA-N 2 0 253.434 1.791 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=[NH2+])N[C@@H]2C[C@H]2C)C1 ZINC000864459287 835049429 /nfs/dbraw/zinc/04/94/29/835049429.db2.gz GKUZPGZIQVHCDM-JHJVBQTASA-N 2 0 252.406 1.487 10 0 CDAERP C([C@@H]1CCC2(CCOCC2)CO1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515031 835086070 /nfs/dbraw/zinc/08/60/70/835086070.db2.gz ARTUGEYGNAYJAK-XHSDSOJGSA-N 2 0 294.439 1.504 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)[C@H]2CCC[C@@H]21 ZINC000866445210 835258146 /nfs/dbraw/zinc/25/81/46/835258146.db2.gz IJUIUNJBOGLRDE-BMXJEEEXSA-N 2 0 276.424 1.872 10 0 CDAERP COC(=O)N1CCC(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925673546 835261130 /nfs/dbraw/zinc/26/11/30/835261130.db2.gz YXHVOEUAPGQGKN-STQMWFEESA-N 2 0 281.400 1.324 10 0 CDAERP C[NH+](C)CC[C@H](N[C@@H]1C[C@H]([NH3+])C12CCC2)c1cccnc1 ZINC000925828043 835335980 /nfs/dbraw/zinc/33/59/80/835335980.db2.gz UEOQCHPTIQWLFA-HRCADAONSA-N 2 0 288.439 1.934 10 0 CDAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+]1CC[C@@H](C)C1 ZINC000929462570 835339282 /nfs/dbraw/zinc/33/92/82/835339282.db2.gz USXHGMQONCOHCP-MCIONIFRSA-N 2 0 267.417 1.175 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2C[C@@H]3COC[C@@H]3O2)[C@H](C)C1 ZINC000929999591 835370351 /nfs/dbraw/zinc/37/03/51/835370351.db2.gz JYQVQTLPFMFHAR-OWYFMNJBSA-N 2 0 282.428 1.452 10 0 CDAERP C[C@H]1[C@H](C)OC[C@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000926306685 835394142 /nfs/dbraw/zinc/39/41/42/835394142.db2.gz GNSGEZLXLIPWDH-SLEUVZQESA-N 2 0 252.402 1.874 10 0 CDAERP CC1(C)C[NH2+]CC[C@H](NC(=O)/C=C/[C@@H]2CCC[NH2+]C2)C1 ZINC000872277682 835427943 /nfs/dbraw/zinc/42/79/43/835427943.db2.gz URLPUGPLFWMCJL-BEVHLOIGSA-N 2 0 279.428 1.437 10 0 CDAERP CCOC(=O)CCCC[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872154434 835473692 /nfs/dbraw/zinc/47/36/92/835473692.db2.gz UPBWSKRJULPWJM-GXTWGEPZSA-N 2 0 254.374 1.261 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC000925772438 835503924 /nfs/dbraw/zinc/50/39/24/835503924.db2.gz HXBDYMGBTWCZBX-OLZOCXBDSA-N 2 0 256.390 1.289 10 0 CDAERP O[C@H]([C@H]1CCCN1CCC[NH2+]C1CC1)C(F)(F)F ZINC000923313244 835620567 /nfs/dbraw/zinc/62/05/67/835620567.db2.gz QYCQQIBOZYAMGO-GHMZBOCLSA-N 2 0 266.307 1.516 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[C@H]([NH3+])C(C)C ZINC000713014836 835638959 /nfs/dbraw/zinc/63/89/59/835638959.db2.gz JKYLLOFRWAXURF-CHWSQXEVSA-N 2 0 269.433 1.596 10 0 CDAERP C1C[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)[C@H]2CSCCN2C1 ZINC000720492620 835684302 /nfs/dbraw/zinc/68/43/02/835684302.db2.gz CIGAQXIGYXEDKY-HZSPNIEDSA-N 2 0 269.458 1.298 10 0 CDAERP C[C@H]([C@@H]1CCOC1)N1CCc2sc(C[NH3+])nc2C1 ZINC000710139032 835707811 /nfs/dbraw/zinc/70/78/11/835707811.db2.gz OGMJHHZXPXNBDR-NXEZZACHSA-N 2 0 267.398 1.385 10 0 CDAERP CC(C)CN(C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)C1CC[NH+](C)CC1 ZINC000872292752 835727443 /nfs/dbraw/zinc/72/74/43/835727443.db2.gz QBGHIEZBJRIKPQ-KEYYUXOJSA-N 2 0 293.455 1.693 10 0 CDAERP O[C@@H](CN1CCC(C[NH+]2CCCC2)CC1)C[NH+]1CCCC1 ZINC000384439792 835732667 /nfs/dbraw/zinc/73/26/67/835732667.db2.gz YNOULXDAVRHSNC-QGZVFWFLSA-N 2 0 295.471 1.251 10 0 CDAERP CCOCC[NH2+][C@@H](C)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001571394169 1167594295 /nfs/dbraw/zinc/59/42/95/1167594295.db2.gz FNQOUDJBQVQYHI-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP CCC[NH2+]C[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001567126812 1168047126 /nfs/dbraw/zinc/04/71/26/1168047126.db2.gz ADFKNENDZFNVGE-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@H]1C[C@H](C[N@H+](C)CCCNC(=O)CC[NH+](C)C)CCO1 ZINC001566488525 1168306548 /nfs/dbraw/zinc/30/65/48/1168306548.db2.gz BEJWLBPUQNYQFG-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001567045676 1168528768 /nfs/dbraw/zinc/52/87/68/1168528768.db2.gz IEKDDZBAADOXQP-KGLIPLIRSA-N 2 0 269.433 1.613 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC001483675519 912583916 /nfs/dbraw/zinc/58/39/16/912583916.db2.gz BMUHMSARXFHWPU-HNNXBMFYSA-N 2 0 275.396 1.329 10 0 CDAERP CCCCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001567117145 1168569361 /nfs/dbraw/zinc/56/93/61/1168569361.db2.gz WPYYSBVGHMXVMN-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001483700509 912897764 /nfs/dbraw/zinc/89/77/64/912897764.db2.gz CHPIXCVZGNINNX-CQSZACIVSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC1CC1 ZINC001567219963 1168626922 /nfs/dbraw/zinc/62/69/22/1168626922.db2.gz MXYBGIVNLZOKTB-TZMCWYRMSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)[C@@H](CNC(=[NH2+])NC1CC1)[NH+]1CCC(C)CC1 ZINC000066242972 894169211 /nfs/dbraw/zinc/16/92/11/894169211.db2.gz SUMCGCMTFBLWDS-CQSZACIVSA-N 2 0 266.433 1.810 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@@H+](CCCCCF)C1 ZINC001266359101 894556700 /nfs/dbraw/zinc/55/67/00/894556700.db2.gz NNIIQUBARUUFIV-AWEZNQCLSA-N 2 0 285.407 1.413 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001266520361 895203740 /nfs/dbraw/zinc/20/37/40/895203740.db2.gz LQAGPJZYSDTFCN-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+]CCF ZINC001266883918 896272714 /nfs/dbraw/zinc/27/27/14/896272714.db2.gz HEQNJKXSZVADKJ-CYBMUJFWSA-N 2 0 273.396 1.267 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC(C)C ZINC001266995540 896516064 /nfs/dbraw/zinc/51/60/64/896516064.db2.gz UYTNYIFSGJKMPF-KGLIPLIRSA-N 2 0 269.433 1.611 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)CC[NH2+]C[C@H]1CCO[C@H](C)C1 ZINC001267004976 896533152 /nfs/dbraw/zinc/53/31/52/896533152.db2.gz NWMFEVUCCKKPNQ-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)OCC[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001567549285 1168844944 /nfs/dbraw/zinc/84/49/44/1168844944.db2.gz IZSHOZGXYXLGIQ-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP C(CC1SCCS1)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000693778340 897289674 /nfs/dbraw/zinc/28/96/74/897289674.db2.gz WYNBOBJRYSXFMW-CXWACVEQSA-N 2 0 270.467 1.769 10 0 CDAERP Cc1csc(C[NH2+]CCN(C)C(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001267354610 897688468 /nfs/dbraw/zinc/68/84/68/897688468.db2.gz SVLSAORMUCPTPF-GFCCVEGCSA-N 2 0 296.440 1.094 10 0 CDAERP CC/C=C\CC[N@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001480935543 897737622 /nfs/dbraw/zinc/73/76/22/897737622.db2.gz PPFSNXXSKQKBIJ-YVACAVLKSA-N 2 0 281.444 1.733 10 0 CDAERP CN(CC[NH2+]C[C@@H]1CCCCO1)C(=O)C[N@H+](C)C1CCC1 ZINC001267383829 897823803 /nfs/dbraw/zinc/82/38/03/897823803.db2.gz AGFBOTMQUJXRIM-HNNXBMFYSA-N 2 0 297.443 1.088 10 0 CDAERP CCCC[NH2+][C@H](CC)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001267806489 899774314 /nfs/dbraw/zinc/77/43/14/899774314.db2.gz XLVSHEZJLXUNCU-MGPQQGTHSA-N 2 0 269.433 1.611 10 0 CDAERP CC/C=C/CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001267815954 899800288 /nfs/dbraw/zinc/80/02/88/899800288.db2.gz RUJOPXMSULKSKN-MFHOCJEASA-N 2 0 281.444 1.921 10 0 CDAERP CC(C)C[NH2+]CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001481272414 899819232 /nfs/dbraw/zinc/81/92/32/899819232.db2.gz FWBHKXXXTBCWKY-UHFFFAOYSA-N 2 0 255.406 1.032 10 0 CDAERP O=C(CCC[NH+]1CCCC1)N1CCC[C@@H]1C[NH2+]CCCF ZINC001267968817 900115936 /nfs/dbraw/zinc/11/59/36/900115936.db2.gz CXBIZTAGQJUVRC-OAHLLOKOSA-N 2 0 299.434 1.803 10 0 CDAERP CC(C)CC[NH+]1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001481658628 901741705 /nfs/dbraw/zinc/74/17/05/901741705.db2.gz ORTZRVOSZMHSKP-UHFFFAOYSA-N 2 0 267.417 1.176 10 0 CDAERP CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001268284561 901745938 /nfs/dbraw/zinc/74/59/38/901745938.db2.gz CNNJVEAYKLUNKP-KBPBESRZSA-N 2 0 281.444 1.613 10 0 CDAERP CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001268284567 901746191 /nfs/dbraw/zinc/74/61/91/901746191.db2.gz CNNJVEAYKLUNKP-ZIAGYGMSSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001481677863 901787028 /nfs/dbraw/zinc/78/70/28/901787028.db2.gz MOUMKHVCNXQVPS-KKUMJFAQSA-N 2 0 281.444 1.659 10 0 CDAERP C[C@H](CC[NH2+]Cc1cscn1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268424164 902037461 /nfs/dbraw/zinc/03/74/61/902037461.db2.gz SDSMRMCREFQDOO-VXGBXAGGSA-N 2 0 296.440 1.079 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CC1CCC1 ZINC001481812700 902165162 /nfs/dbraw/zinc/16/51/62/902165162.db2.gz RUDMLXUBAJJDMK-CVEARBPZSA-N 2 0 293.455 1.613 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(C)C ZINC001481812330 902171117 /nfs/dbraw/zinc/17/11/17/902171117.db2.gz KYHATZREDLQKNF-HZSPNIEDSA-N 2 0 269.433 1.467 10 0 CDAERP CCN(CC[NH2+]CC[C@@H](C)F)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001268479047 902296296 /nfs/dbraw/zinc/29/62/96/902296296.db2.gz CHDJVCDNXVBRIT-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP C[NH+](C)C1(C(=O)N2CCC[C@@H]2C[NH2+]CCC2CC2)CCC1 ZINC001482058630 902570374 /nfs/dbraw/zinc/57/03/74/902570374.db2.gz CFFFSMXKAWITPL-OAHLLOKOSA-N 2 0 293.455 1.851 10 0 CDAERP CN(CC[N@H+](C)CCCF)C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001422172932 902724687 /nfs/dbraw/zinc/72/46/87/902724687.db2.gz CBFMSWATAGQSPR-HUUCEWRRSA-N 2 0 299.434 1.753 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC/C=C/C[NH2+]CCC1CC1 ZINC001268627118 902839525 /nfs/dbraw/zinc/83/95/25/902839525.db2.gz FXWYDMDFJUADHX-LRPXVYOUSA-N 2 0 293.455 1.921 10 0 CDAERP CCC[NH2+]C[C@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001268698253 902982973 /nfs/dbraw/zinc/98/29/73/902982973.db2.gz XEKJFTFLAWDWFN-AWEZNQCLSA-N 2 0 291.439 1.909 10 0 CDAERP CN(CCC[NH2+]CC[C@H]1CCCO1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268782714 903121451 /nfs/dbraw/zinc/12/14/51/903121451.db2.gz BCJHOCJYCJDTEW-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@H](F)CC[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268811326 903146408 /nfs/dbraw/zinc/14/64/08/903146408.db2.gz NTTDDWPHYAVGHG-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP COCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001269118255 903438428 /nfs/dbraw/zinc/43/84/28/903438428.db2.gz OYOINVWLQWDBSK-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001483766162 914720797 /nfs/dbraw/zinc/72/07/97/914720797.db2.gz SYOKIXXOPORGNU-GFCCVEGCSA-N 2 0 255.406 1.219 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001269269141 903631885 /nfs/dbraw/zinc/63/18/85/903631885.db2.gz UEYRHXUJBRKHGK-CQSZACIVSA-N 2 0 269.433 1.517 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@](C)(C[NH2+]CCCF)C2CC2)C1 ZINC001269644506 904006877 /nfs/dbraw/zinc/00/68/77/904006877.db2.gz GPFJYNUYSQWIRE-XJKSGUPXSA-N 2 0 299.434 1.562 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]C/C=C/Cl ZINC001270129958 904385071 /nfs/dbraw/zinc/38/50/71/904385071.db2.gz XLSHPLRVKXGLTH-RPTYSRGTSA-N 2 0 273.808 1.271 10 0 CDAERP C[C@@H](C[NH2+]CCF)N(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001482291482 904666366 /nfs/dbraw/zinc/66/63/66/904666366.db2.gz GIOZIIVVQRQDCA-DZGCQCFKSA-N 2 0 299.434 1.799 10 0 CDAERP CC[C@@H]1CN(C(=O)[C@H](C)CC[NH+](C)C)C[C@H](C)[NH2+]1 ZINC001167964907 904694432 /nfs/dbraw/zinc/69/44/32/904694432.db2.gz NQMNHBCOWYTSID-FRRDWIJNSA-N 2 0 255.406 1.173 10 0 CDAERP CCCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001270967554 905506420 /nfs/dbraw/zinc/50/64/20/905506420.db2.gz JKFQSELUDPOCFB-GDBMZVCRSA-N 2 0 295.471 1.955 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)[C@@H](CC)[NH+](C)C)CCOCC1 ZINC001271043737 905586775 /nfs/dbraw/zinc/58/67/75/905586775.db2.gz GVAIVJNTSBEXGX-CQSZACIVSA-N 2 0 299.459 1.382 10 0 CDAERP CC(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001271609444 906548012 /nfs/dbraw/zinc/54/80/12/906548012.db2.gz PEJSZIQFUJAVKR-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001482597059 907778976 /nfs/dbraw/zinc/77/89/76/907778976.db2.gz LBCUANHOPGLAHB-BFHYXJOUSA-N 2 0 287.423 1.465 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]C(C)C ZINC001483027490 908719519 /nfs/dbraw/zinc/71/95/19/908719519.db2.gz FKZBLXWWKWJTCW-LLYBFZRZSA-N 2 0 281.444 1.777 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC/C=C\C[NH2+]CC2CC2)C1 ZINC001483059740 909197066 /nfs/dbraw/zinc/19/70/66/909197066.db2.gz XIKJSPWLYHMAPL-XQJDBVBESA-N 2 0 265.401 1.000 10 0 CDAERP CCCC[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001483254563 910744411 /nfs/dbraw/zinc/74/44/11/910744411.db2.gz FXBJOGYGPQJKFR-ZDUSSCGKSA-N 2 0 269.433 1.755 10 0 CDAERP Cc1ccc(C[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C)c(C)n1 ZINC001483261786 910757624 /nfs/dbraw/zinc/75/76/24/910757624.db2.gz NSTOGOHOKKXXRW-ZDUSSCGKSA-N 2 0 292.427 1.244 10 0 CDAERP CC(C)CC[N@H+](C)C[C@@H](C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001483406685 911070190 /nfs/dbraw/zinc/07/01/90/911070190.db2.gz DWBFAGGMKPANDB-CABCVRRESA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001507325442 911078179 /nfs/dbraw/zinc/07/81/79/911078179.db2.gz AEQXEZOUZCRXSV-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CC[N@@H+]1CC[C@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001483798133 915082623 /nfs/dbraw/zinc/08/26/23/915082623.db2.gz DJERHKQXIMKOAU-HNNXBMFYSA-N 2 0 281.444 1.519 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001483942566 915217604 /nfs/dbraw/zinc/21/76/04/915217604.db2.gz OZHJTBMGERAZEZ-ZDUSSCGKSA-N 2 0 255.406 1.319 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCCF ZINC001493569074 916397970 /nfs/dbraw/zinc/39/79/70/916397970.db2.gz IIDAHKNUCQJRGI-ZDUSSCGKSA-N 2 0 273.396 1.268 10 0 CDAERP CC[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001485146930 916583878 /nfs/dbraw/zinc/58/38/78/916583878.db2.gz KLVWIQWTQMSONY-STQMWFEESA-N 2 0 269.433 1.754 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H](C)[NH2+]CC(C)C ZINC001485209218 916674952 /nfs/dbraw/zinc/67/49/52/916674952.db2.gz VAQFUWRFBONBQJ-CHWSQXEVSA-N 2 0 257.422 1.467 10 0 CDAERP CN(CC(C)(C)C[NH2+]CCF)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001485251662 916695001 /nfs/dbraw/zinc/69/50/01/916695001.db2.gz KEJFYRKCRNAOIM-CQSZACIVSA-N 2 0 299.434 1.372 10 0 CDAERP CC[NH2+]CCC[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001485745588 917254110 /nfs/dbraw/zinc/25/41/10/917254110.db2.gz WDHHHZSOFKGHQQ-CHWSQXEVSA-N 2 0 255.406 1.223 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]CC[C@H]1CCCO1 ZINC001485962197 920631992 /nfs/dbraw/zinc/63/19/92/920631992.db2.gz WNQHZLDLTPIOCS-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP COCCCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001671242903 1169240593 /nfs/dbraw/zinc/24/05/93/1169240593.db2.gz AAAUGXUSPYHHSL-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP CC[NH+]1CC([C@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001409960877 921965038 /nfs/dbraw/zinc/96/50/38/921965038.db2.gz CNUJXTCMHZIARP-ZFWWWQNUSA-N 2 0 281.444 1.563 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H](C)CC[NH2+]C/C=C/Cl)[NH+](C)C ZINC001273130575 922155461 /nfs/dbraw/zinc/15/54/61/922155461.db2.gz AHEWNYOSXMDASK-DZTBXEGKSA-N 2 0 289.851 1.810 10 0 CDAERP O[C@H](C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)c1ccc(F)cc1 ZINC000923414318 923817281 /nfs/dbraw/zinc/81/72/81/923817281.db2.gz LALZAEAZWFLWCQ-CWRNSKLLSA-N 2 0 278.371 1.933 10 0 CDAERP COCCC[NH2+]C[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001491191157 936871382 /nfs/dbraw/zinc/87/13/82/936871382.db2.gz PZSANMNVOBJXAF-HNNXBMFYSA-N 2 0 299.459 1.191 10 0 CDAERP C[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[NH2+]CCF)CC1 ZINC001491261466 936885909 /nfs/dbraw/zinc/88/59/09/936885909.db2.gz UPQRMQSLSSZZLN-CQSZACIVSA-N 2 0 285.407 1.268 10 0 CDAERP C[C@H](O)CCC[NH2+]C1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001491359837 936898005 /nfs/dbraw/zinc/89/80/05/936898005.db2.gz AARGHMJSSUUQGA-NFOMZHRRSA-N 2 0 299.459 1.116 10 0 CDAERP CCN(CC[NH2+]C[C@H]1CC[C@H](C)O1)C(=O)C[NH+]1CCCC1 ZINC001273752023 925212684 /nfs/dbraw/zinc/21/26/84/925212684.db2.gz CSJDPFSQLWSECX-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001410175144 925348629 /nfs/dbraw/zinc/34/86/29/925348629.db2.gz DKMURRIOIQPEJY-XHSDSOJGSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001410212816 925407734 /nfs/dbraw/zinc/40/77/34/925407734.db2.gz AGYPWWJEWFNKDS-QEJZJMRPSA-N 2 0 299.434 1.561 10 0 CDAERP CCOCCC[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001198611773 925477645 /nfs/dbraw/zinc/47/76/45/925477645.db2.gz FRECSJXGFGUGEN-UHFFFAOYSA-N 2 0 284.444 1.726 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CCCC1 ZINC001142326674 937005973 /nfs/dbraw/zinc/00/59/73/937005973.db2.gz YMMJQFFOFSRXAM-LBPRGKRZSA-N 2 0 265.401 1.214 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCN2C/C=C/Cl)C1 ZINC001493137641 926750887 /nfs/dbraw/zinc/75/08/87/926750887.db2.gz KAMAKRKOIAOUNK-IVDJAJHCSA-N 2 0 299.846 1.661 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C(C)(C)C ZINC001411208163 927232250 /nfs/dbraw/zinc/23/22/50/927232250.db2.gz GIQDCKKUSKSWHO-KGLIPLIRSA-N 2 0 283.460 2.000 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001440515476 927343045 /nfs/dbraw/zinc/34/30/45/927343045.db2.gz KAODPMIDHROWEF-LSDHHAIUSA-N 2 0 281.444 1.804 10 0 CDAERP Cc1n[nH]c(CC[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)n1 ZINC000693762779 937251786 /nfs/dbraw/zinc/25/17/86/937251786.db2.gz OCYXFOOOPKLMQQ-KGYLQXTDSA-N 2 0 263.389 1.022 10 0 CDAERP O=C(NC/C=C\C[NH2+]CCF)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001274429139 931499630 /nfs/dbraw/zinc/49/96/30/931499630.db2.gz AQDVBMMPOCFRIW-BXHLDNEWSA-N 2 0 283.391 1.235 10 0 CDAERP O=C(CC[NH+]1CCCCC1)NC/C=C/C[NH2+]CC1CC1 ZINC001274608018 931519178 /nfs/dbraw/zinc/51/91/78/931519178.db2.gz CIPGECCQBDTSJP-NSCUHMNNSA-N 2 0 279.428 1.534 10 0 CDAERP CCN1CC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001144154616 931673018 /nfs/dbraw/zinc/67/30/18/931673018.db2.gz FLZGOFGUYUIGKS-HZSPNIEDSA-N 2 0 265.401 1.214 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001275381622 931761127 /nfs/dbraw/zinc/76/11/27/931761127.db2.gz CBSFUQHSOUCKHC-HNNXBMFYSA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]CC[C@@H](C)F ZINC001275459504 931805071 /nfs/dbraw/zinc/80/50/71/931805071.db2.gz QTJPNCNWUADCOM-NEPJUHHUSA-N 2 0 261.385 1.169 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)CC(C)C)[NH+](C)C ZINC001275591755 931898525 /nfs/dbraw/zinc/89/85/25/931898525.db2.gz ARSYDIXNWRXMMM-QWHCGFSZSA-N 2 0 257.422 1.419 10 0 CDAERP CN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C1CC[NH+](C)CC1 ZINC001411609243 931914644 /nfs/dbraw/zinc/91/46/44/931914644.db2.gz IBRXIEWUHFONNG-UKRRQHHQSA-N 2 0 281.444 1.659 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+](C(C)C)C2)C1 ZINC001411664077 931947970 /nfs/dbraw/zinc/94/79/70/931947970.db2.gz CUFDHGLZWYFVHF-CABCVRRESA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)[NH2+]CC(C)(C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001275742498 931992266 /nfs/dbraw/zinc/99/22/66/931992266.db2.gz YVQACYWGXJCXIZ-UHFFFAOYSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)[N@H+](C)C[C@H](C)NC(=O)CC[NH+]1CC[C@H](F)C1 ZINC001412199814 932321078 /nfs/dbraw/zinc/32/10/78/932321078.db2.gz HABKOHLQTCVKEE-STQMWFEESA-N 2 0 273.396 1.265 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001412303035 932368941 /nfs/dbraw/zinc/36/89/41/932368941.db2.gz XUSRGADMOKRXMT-CABCVRRESA-N 2 0 283.460 1.809 10 0 CDAERP C[C@@H](CNC(=O)CC[N@@H+]1CC[C@@H](F)C1)[NH+](C)C1CC1 ZINC001412501725 932456951 /nfs/dbraw/zinc/45/69/51/932456951.db2.gz YLCFUIXUHJHSCF-NWDGAFQWSA-N 2 0 271.380 1.019 10 0 CDAERP O=C(CC[N@H+]1CC[C@@H](F)C1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001412529817 932469946 /nfs/dbraw/zinc/46/99/46/932469946.db2.gz PXNFBQAYJDWGFV-HUUCEWRRSA-N 2 0 297.418 1.507 10 0 CDAERP CCC[NH2+]CC1(NC(=O)CC[NH+](C)C)CCCCC1 ZINC001276227084 932662584 /nfs/dbraw/zinc/66/25/84/932662584.db2.gz RAGUMVVKLULAQI-UHFFFAOYSA-N 2 0 269.433 1.757 10 0 CDAERP CN(CCC[NH2+]CCF)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001276271311 932701631 /nfs/dbraw/zinc/70/16/31/932701631.db2.gz DPNQRDNBSYNGCV-KGLIPLIRSA-N 2 0 285.407 1.411 10 0 CDAERP CCC[NH+]1CCC(NC[C@@H](C[NH+](C)C)OCC)CC1 ZINC000926967104 933036220 /nfs/dbraw/zinc/03/62/20/933036220.db2.gz ZYMBXKGYOCSLND-HNNXBMFYSA-N 2 0 271.449 1.417 10 0 CDAERP COC(=O)/C=C(\C)CN1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000931685132 933607846 /nfs/dbraw/zinc/60/78/46/933607846.db2.gz ZEPJFOGTYBZWFM-UELRPHRMSA-N 2 0 289.379 1.711 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC001413329831 935990636 /nfs/dbraw/zinc/99/06/36/935990636.db2.gz WZJZXPGBYQSQTR-QLFBSQMISA-N 2 0 293.455 1.850 10 0 CDAERP C[NH+](C)C1(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)CCCC1 ZINC001413418060 936023992 /nfs/dbraw/zinc/02/39/92/936023992.db2.gz ZMNZJMDGYXJBIN-KGLIPLIRSA-N 2 0 279.428 1.413 10 0 CDAERP Cc1ccc(C(=O)NCC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000405263488 940978060 /nfs/dbraw/zinc/97/80/60/940978060.db2.gz PZLMRQPISROWCG-LSDHHAIUSA-N 2 0 287.407 1.584 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@H]1CNC(=O)Cc1[nH]cnc1C ZINC001276964513 941743683 /nfs/dbraw/zinc/74/36/83/941743683.db2.gz UAUVVRQGSFVMHY-WSNITJDQSA-N 2 0 290.411 1.807 10 0 CDAERP CCN(CC[NH2+]CCF)C(=O)CC1CC[NH+](C)CC1 ZINC001568781443 1169473461 /nfs/dbraw/zinc/47/34/61/1169473461.db2.gz CXBXGBXHGRJTKR-UHFFFAOYSA-N 2 0 273.396 1.126 10 0 CDAERP COCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCC1 ZINC001280480201 942450308 /nfs/dbraw/zinc/45/03/08/942450308.db2.gz FUOOSWQHRQCOKP-AWEZNQCLSA-N 2 0 297.443 1.134 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC2CC(C[NH2+]CCC3CC3)C2)C1 ZINC001282059388 942651618 /nfs/dbraw/zinc/65/16/18/942651618.db2.gz ZEMADMMBRYGXAN-IUDNXUCKSA-N 2 0 293.455 1.613 10 0 CDAERP CC[C@@H](C(=O)N(C)[C@@H](C[NH2+]CCF)C1CC1)[NH+](C)C ZINC001283545079 942929192 /nfs/dbraw/zinc/92/91/92/942929192.db2.gz SSDNDRLDPFCUJS-STQMWFEESA-N 2 0 273.396 1.123 10 0 CDAERP CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCCC[NH+](C)C)C[C@@H]21 ZINC001284101688 943076425 /nfs/dbraw/zinc/07/64/25/943076425.db2.gz KPPCHTZQJFLFBG-HRCADAONSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC001362162698 970962159 /nfs/dbraw/zinc/96/21/59/970962159.db2.gz ZTZVOIFURQRDCR-UONOGXRCSA-N 2 0 279.428 1.460 10 0 CDAERP CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001277693176 943342166 /nfs/dbraw/zinc/34/21/66/943342166.db2.gz JFBGVQZMFKSFLN-GXTWGEPZSA-N 2 0 267.417 1.175 10 0 CDAERP COC[C@@H](C)[N@H+](C)CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001265050895 944214828 /nfs/dbraw/zinc/21/48/28/944214828.db2.gz OWWPNSLXSOJLNO-OAHLLOKOSA-N 2 0 299.459 1.191 10 0 CDAERP O=C(CCCC[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+]CC2CC2)C1 ZINC001265573126 944433595 /nfs/dbraw/zinc/43/35/95/944433595.db2.gz VLOBIOUAZYBZSM-IYBDPMFKSA-N 2 0 293.455 1.899 10 0 CDAERP CC[N@H+](CCCNC(=O)C[NH+]1CCC(C)CC1)CC1CC1 ZINC001266095438 944679903 /nfs/dbraw/zinc/67/99/03/944679903.db2.gz ZIBPMOIQPSQGQE-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP C[NH+](C)CCc1cccc(C(=O)NCC[NH+]2CCC2)c1 ZINC001362281905 971114448 /nfs/dbraw/zinc/11/44/48/971114448.db2.gz CPMTTWBTKJETOI-UHFFFAOYSA-N 2 0 275.396 1.226 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1ccccc1N1CCCC1 ZINC001261837133 946294161 /nfs/dbraw/zinc/29/41/61/946294161.db2.gz VIAQJUNZDOEWDO-UHFFFAOYSA-N 2 0 291.439 1.955 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001479392247 971317781 /nfs/dbraw/zinc/31/77/81/971317781.db2.gz WMTKOARQRHWSDH-IHRRRGAJSA-N 2 0 299.434 1.561 10 0 CDAERP CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CCCF)C1)[NH+](C)C ZINC001479476774 971329659 /nfs/dbraw/zinc/32/96/59/971329659.db2.gz XFNDQYKWTZSFSP-MJBXVCDLSA-N 2 0 287.423 1.561 10 0 CDAERP CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)CC(C)(C)C1 ZINC001479748360 971392908 /nfs/dbraw/zinc/39/29/08/971392908.db2.gz UIKFFZVWPNOVRA-AWEZNQCLSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](NC(=O)CC[NH+]2CC[C@H](F)C2)C1 ZINC001362625295 971470139 /nfs/dbraw/zinc/47/01/39/971470139.db2.gz FTQSHSGMHHHPHI-UONOGXRCSA-N 2 0 285.407 1.409 10 0 CDAERP C[NH2+]CCCCc1nc([C@H]2C[NH+]3CCC2CC3)no1 ZINC001332029927 948659239 /nfs/dbraw/zinc/65/92/39/948659239.db2.gz LAVMTXYVBFKSIB-LBPRGKRZSA-N 2 0 264.373 1.421 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CC[C@H](F)C2)C1 ZINC001362948287 971752427 /nfs/dbraw/zinc/75/24/27/971752427.db2.gz FPQYWXDKBCTKEQ-STQMWFEESA-N 2 0 285.407 1.409 10 0 CDAERP CC[N@H+]1[C@H](C)CN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)C[C@@H]1C ZINC001362980467 971782686 /nfs/dbraw/zinc/78/26/86/971782686.db2.gz UIWDUVRUCHTALR-TUVASFSCSA-N 2 0 281.444 1.800 10 0 CDAERP CC[N@H+]1[C@H](C)CN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C[C@@H]1C ZINC001362980473 971782792 /nfs/dbraw/zinc/78/27/92/971782792.db2.gz UIWDUVRUCHTALR-ZQDZILKHSA-N 2 0 281.444 1.800 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001480674582 971834743 /nfs/dbraw/zinc/83/47/43/971834743.db2.gz STFZQVZMGQJIKA-CQSZACIVSA-N 2 0 279.428 1.176 10 0 CDAERP CC(C)(C)CC[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001480680473 971836775 /nfs/dbraw/zinc/83/67/75/971836775.db2.gz UBFDCIUWUMVEGV-HNNXBMFYSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N[C@@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC001363492108 953377689 /nfs/dbraw/zinc/37/76/89/953377689.db2.gz WJZKXTKSGPPRJT-MCIONIFRSA-N 2 0 281.444 1.563 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CC[C@@H](CC[NH2+]CCC2CC2)C1 ZINC001326432500 954381040 /nfs/dbraw/zinc/38/10/40/954381040.db2.gz TZIJDQMONAKKDC-MRXNPFEDSA-N 2 0 293.455 1.711 10 0 CDAERP C[C@@H]1CC[C@H]1NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001364294780 954433471 /nfs/dbraw/zinc/43/34/71/954433471.db2.gz WXWXQBQMZHVHRK-KBUPBQIOSA-N 2 0 296.459 1.166 10 0 CDAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]CCCC1CCC1 ZINC001327900756 955105618 /nfs/dbraw/zinc/10/56/18/955105618.db2.gz HVNHIZURZVOYTO-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[C@@H](C)C[NH2+][C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001491675400 955384348 /nfs/dbraw/zinc/38/43/48/955384348.db2.gz TVSPMYMIPCSDBG-HUUCEWRRSA-N 2 0 283.460 1.859 10 0 CDAERP CN(C)[C@H](C(=O)N[C@@H]1C[N@H+](C)CC1(C)C)c1ccccc1 ZINC001364956121 955418740 /nfs/dbraw/zinc/41/87/40/955418740.db2.gz RIKDRNQHAWALPS-CABCVRRESA-N 2 0 289.423 1.746 10 0 CDAERP CCC[NH2+]C[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001491850262 955469459 /nfs/dbraw/zinc/46/94/59/955469459.db2.gz SACRAIOYQZNZIW-CQSZACIVSA-N 2 0 269.433 1.566 10 0 CDAERP C[C@H](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CCCF ZINC001492024466 955614070 /nfs/dbraw/zinc/61/40/70/955614070.db2.gz RBTIYFQKKUDDIO-OCCSQVGLSA-N 2 0 285.407 1.172 10 0 CDAERP CC(C)C[NH2+]C[C@H](C)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001421915457 955650976 /nfs/dbraw/zinc/65/09/76/955650976.db2.gz VYDBPJKUPNJQLT-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+](C)CCC2CC2)CC[N@@H+]1C ZINC001422163088 955801555 /nfs/dbraw/zinc/80/15/55/955801555.db2.gz CMXHQTNCLAYYTR-JKSUJKDBSA-N 2 0 295.471 1.907 10 0 CDAERP CC[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001317386643 956244064 /nfs/dbraw/zinc/24/40/64/956244064.db2.gz ZNQAAUZMFHHOPW-CYBMUJFWSA-N 2 0 255.406 1.269 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001365834722 956395395 /nfs/dbraw/zinc/39/53/95/956395395.db2.gz QHTFFKYQQXDMEK-XDQVBPFNSA-N 2 0 285.407 1.313 10 0 CDAERP CCO[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C[NH2+]C(C)C ZINC001365861735 956410720 /nfs/dbraw/zinc/41/07/20/956410720.db2.gz KRNWWSHTGCDBEZ-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP CC[NH2+][C@H](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001422945211 956465358 /nfs/dbraw/zinc/46/53/58/956465358.db2.gz CCDKBGPIQUNSDL-LSDHHAIUSA-N 2 0 281.444 1.469 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001365971071 956476707 /nfs/dbraw/zinc/47/67/07/956476707.db2.gz MBXCAHAHUGBLNM-LSDHHAIUSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@H](F)C[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001494182359 972194544 /nfs/dbraw/zinc/19/45/44/972194544.db2.gz YMCXHTJFNNZTEA-GJZGRUSLSA-N 2 0 299.434 1.611 10 0 CDAERP CCC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001330823321 956651487 /nfs/dbraw/zinc/65/14/87/956651487.db2.gz WCNKZHKCMWJHSJ-HIFRSBDPSA-N 2 0 281.444 1.613 10 0 CDAERP CCC(CC)C[N@@H+]1CC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001423185014 956653716 /nfs/dbraw/zinc/65/37/16/956653716.db2.gz ZWZFJIZEACVPNQ-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CCc1cccs1 ZINC001366319281 956738883 /nfs/dbraw/zinc/73/88/83/956738883.db2.gz CAFNEFKEHPYWMF-GFCCVEGCSA-N 2 0 283.441 1.337 10 0 CDAERP CN(C(=O)CCC[NH+](C)C)C1C[NH+](CC[C@@H]2CCCO2)C1 ZINC001423412321 956768130 /nfs/dbraw/zinc/76/81/30/956768130.db2.gz MPLWWEHVEYTBEM-HNNXBMFYSA-N 2 0 297.443 1.040 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H](C[NH2+]CC2CC2)C(C)(C)C)C1 ZINC001423609976 956902934 /nfs/dbraw/zinc/90/29/34/956902934.db2.gz AKLDDXAXTHZLCB-GJZGRUSLSA-N 2 0 295.471 1.859 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001423627097 956908476 /nfs/dbraw/zinc/90/84/76/956908476.db2.gz JLYLXCGBBHAFPY-HOCLYGCPSA-N 2 0 283.460 1.812 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)C1CC[NH+](CC2CC2)CC1 ZINC001423654658 956922715 /nfs/dbraw/zinc/92/27/15/956922715.db2.gz XFHHOFGOEIPCDD-CYBMUJFWSA-N 2 0 281.444 1.565 10 0 CDAERP CCCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCc2cncn2C1 ZINC001331492462 957099976 /nfs/dbraw/zinc/09/99/76/957099976.db2.gz VFEMPIBCHBCKPH-UONOGXRCSA-N 2 0 292.427 1.682 10 0 CDAERP C[C@@H](F)CC[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001366755802 957166908 /nfs/dbraw/zinc/16/69/08/957166908.db2.gz DEQBTBMJUVKUAX-KGLIPLIRSA-N 2 0 299.434 1.657 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1CCC(C)([NH2+]C[C@@H](C)O)CC1 ZINC001424490417 957253261 /nfs/dbraw/zinc/25/32/61/957253261.db2.gz JZWOLQPCGAMKDI-CQSZACIVSA-N 2 0 299.459 1.070 10 0 CDAERP CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC[C@H](C)F)C1)[NH+](C)C ZINC001366895662 957255629 /nfs/dbraw/zinc/25/56/29/957255629.db2.gz XKGKCARLJMNLSL-MJBXVCDLSA-N 2 0 287.423 1.655 10 0 CDAERP C[C@H](NC(=O)C[N@H+](C)C1CCC1)[C@H](C)[NH2+]C/C=C\Cl ZINC001424807529 957364853 /nfs/dbraw/zinc/36/48/53/957364853.db2.gz XBQIWPOIVWPNQF-MUDVKMOPSA-N 2 0 287.835 1.706 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)[NH2+]CC1CCC1)[NH+](C)C ZINC001317247707 957378336 /nfs/dbraw/zinc/37/83/36/957378336.db2.gz RHXZLIRLCRHPQL-DGCLKSJQSA-N 2 0 255.406 1.221 10 0 CDAERP COCC[NH2+][C@@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001317246274 957378810 /nfs/dbraw/zinc/37/88/10/957378810.db2.gz UTYSHYGAHDSVLF-NSHDSACASA-N 2 0 299.440 1.164 10 0 CDAERP COC(=O)c1cccc(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC001331981015 957380820 /nfs/dbraw/zinc/38/08/20/957380820.db2.gz MHFPGFUCSGUIEY-IUODEOHRSA-N 2 0 276.380 1.808 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCCF)C1 ZINC001317359031 957436424 /nfs/dbraw/zinc/43/64/24/957436424.db2.gz UPVBIMPZIRUWFH-ZIAGYGMSSA-N 2 0 287.423 1.705 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CC1=CCCCC1 ZINC001317469346 957497957 /nfs/dbraw/zinc/49/79/57/957497957.db2.gz FHVGQGWRLALHMT-OAHLLOKOSA-N 2 0 279.428 1.487 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C1C[NH+](CC2CCCC2)C1 ZINC001425266033 957502321 /nfs/dbraw/zinc/50/23/21/957502321.db2.gz RETFUCHVZJLKAS-AWEZNQCLSA-N 2 0 295.471 1.953 10 0 CDAERP CCCCC[N@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001317490284 957508874 /nfs/dbraw/zinc/50/88/74/957508874.db2.gz RBPUIYJPERELTD-CQSZACIVSA-N 2 0 269.433 1.566 10 0 CDAERP CC[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3CCC3)C[C@H]21)[NH+](C)C ZINC001425365674 957520149 /nfs/dbraw/zinc/52/01/49/957520149.db2.gz USKOHWCULHWEIS-JONQDZQNSA-N 2 0 293.455 1.421 10 0 CDAERP CCCCC[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC001332444699 957566824 /nfs/dbraw/zinc/56/68/24/957566824.db2.gz VAEZGGFLQGWRNG-CABCVRRESA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC1(C)C ZINC001332452606 957570709 /nfs/dbraw/zinc/57/07/09/957570709.db2.gz IKYOPOOGTBLNNI-CYBMUJFWSA-N 2 0 269.433 1.562 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@@]23CCC[C@@H]2[N@H+](CCF)CC3)CC1 ZINC001425925346 957644522 /nfs/dbraw/zinc/64/45/22/957644522.db2.gz UZDZBIFIKATFHZ-XJKSGUPXSA-N 2 0 297.418 1.411 10 0 CDAERP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001318275970 958010412 /nfs/dbraw/zinc/01/04/12/958010412.db2.gz HSEQIAAZEOYAEV-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001318299641 958020059 /nfs/dbraw/zinc/02/00/59/958020059.db2.gz JCCSBBSARUHBCK-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC1CCC1 ZINC001367492282 958053726 /nfs/dbraw/zinc/05/37/26/958053726.db2.gz FYDCLVVSGTTZAK-OAHLLOKOSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@@H](C(=O)N(C)[C@H]1CC[N@H+](CCCO)C1)[NH+](CC)CC ZINC001494852389 972324096 /nfs/dbraw/zinc/32/40/96/972324096.db2.gz AEEDLDSBYVNOOP-GJZGRUSLSA-N 2 0 299.459 1.022 10 0 CDAERP CCC[NH2+]C[C@](C)(NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001318711829 958241326 /nfs/dbraw/zinc/24/13/26/958241326.db2.gz ACNMLUGOPKCTHY-INIZCTEOSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]CC1CC1)[NH+]1CCCC1 ZINC001367774175 958326626 /nfs/dbraw/zinc/32/66/26/958326626.db2.gz IGXAEPNQGRBIQM-DZGCQCFKSA-N 2 0 281.444 1.611 10 0 CDAERP CCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001367817392 958392829 /nfs/dbraw/zinc/39/28/29/958392829.db2.gz XDABXUSXXDEEAU-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001367899413 958467823 /nfs/dbraw/zinc/46/78/23/958467823.db2.gz BHOBEBXFAWWNGF-GJZGRUSLSA-N 2 0 281.444 1.611 10 0 CDAERP COCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001319541323 958619719 /nfs/dbraw/zinc/61/97/19/958619719.db2.gz SJRSZIOFEVOYJU-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC1CC(F)(F)C1 ZINC001371139486 972384940 /nfs/dbraw/zinc/38/49/40/972384940.db2.gz MRFUSOWJZJSKCD-JQWIXIFHSA-N 2 0 289.370 1.220 10 0 CDAERP CCC[NH2+]C[C@@H](NC(=O)CCc1nccn1C)C1CC1 ZINC001569313308 1169760184 /nfs/dbraw/zinc/76/01/84/1169760184.db2.gz UPNOYCYUEOPPMT-CYBMUJFWSA-N 2 0 278.400 1.247 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001368642330 959012673 /nfs/dbraw/zinc/01/26/73/959012673.db2.gz WAHHNYVALVXHIB-ACOKAEEESA-N 2 0 285.819 1.414 10 0 CDAERP CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001368812683 959151346 /nfs/dbraw/zinc/15/13/46/959151346.db2.gz GYTVOJYRDPHWRF-HNNXBMFYSA-N 2 0 293.455 1.805 10 0 CDAERP CC(C)[C@@H](CCN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]CCF ZINC001369048861 959421708 /nfs/dbraw/zinc/42/17/08/959421708.db2.gz PQQKYDDEEGWSII-CQSZACIVSA-N 2 0 299.434 1.514 10 0 CDAERP CCN(CC[NH2+]CCCC(C)C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001320922247 959459505 /nfs/dbraw/zinc/45/95/05/959459505.db2.gz SMVITVSNISTJGC-HNNXBMFYSA-N 2 0 283.460 1.812 10 0 CDAERP CC(C)[C@@H](C(=O)NC/C=C/C[NH2+]CC1CC1)[NH+](C)C ZINC001321108713 959598229 /nfs/dbraw/zinc/59/82/29/959598229.db2.gz TZJSOHCIACBZBF-GJBLVYBDSA-N 2 0 267.417 1.245 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1 ZINC001369306020 959620874 /nfs/dbraw/zinc/62/08/74/959620874.db2.gz OUGFIZCYCBIJBU-GOEBONIOSA-N 2 0 289.423 1.575 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C1CC[NH+](CCOC)CC1)[NH+](C)C ZINC001369569893 959765246 /nfs/dbraw/zinc/76/52/46/959765246.db2.gz YGNFRRNOMCCOFO-DZGCQCFKSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC/C=C\C[NH2+]Cc1ccns1 ZINC001321420943 959779193 /nfs/dbraw/zinc/77/91/93/959779193.db2.gz UZEOUEVYCUFIOP-PLNGDYQASA-N 2 0 296.440 1.245 10 0 CDAERP CC(C)C[C@H](C)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001370020125 959960333 /nfs/dbraw/zinc/96/03/33/959960333.db2.gz SAWMELZRSFLHDF-GJZGRUSLSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](C[C@@H]2CCCCO2)C1 ZINC001370067960 959978055 /nfs/dbraw/zinc/97/80/55/959978055.db2.gz VSLNZIPAVJJUJJ-GJZGRUSLSA-N 2 0 297.443 1.086 10 0 CDAERP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CC[C@H](C)F)C1 ZINC001370063338 959978306 /nfs/dbraw/zinc/97/83/06/959978306.db2.gz OZRWFYLNZGQUMI-QWHCGFSZSA-N 2 0 273.396 1.265 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1CC12CC[NH+](CC(C)C)CC2)[NH+](C)C ZINC001370086598 959987149 /nfs/dbraw/zinc/98/71/49/959987149.db2.gz SDLLNDVIVWLPIQ-HUUCEWRRSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001370197864 960020882 /nfs/dbraw/zinc/02/08/82/960020882.db2.gz GLMPVBJYTWSXTL-GJZGRUSLSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)CC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001370372140 960073182 /nfs/dbraw/zinc/07/31/82/960073182.db2.gz OPKIJUPCDSFYJX-HNNXBMFYSA-N 2 0 293.455 1.851 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001322238375 960146462 /nfs/dbraw/zinc/14/64/62/960146462.db2.gz UJPVKJDFRPQTMG-AWEZNQCLSA-N 2 0 281.444 1.731 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(F)cc1F ZINC001371356673 972485374 /nfs/dbraw/zinc/48/53/74/972485374.db2.gz XZBFEISSEKVRTP-LLVKDONJSA-N 2 0 299.365 1.511 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001323069232 960429736 /nfs/dbraw/zinc/42/97/36/960429736.db2.gz ZPGQVKXYUGHZKH-INIZCTEOSA-N 2 0 293.455 1.779 10 0 CDAERP CC(C)[N@@H+]1CC[C@H]1CNC(=O)[C@H](C)Cc1c[nH]cn1 ZINC001323319937 960645536 /nfs/dbraw/zinc/64/55/36/960645536.db2.gz UFYWTHHUSZJQOR-YPMHNXCESA-N 2 0 264.373 1.187 10 0 CDAERP C[NH+](C)CCCCC(=O)NC[C@@H]1CC[N@@H+]1CC1CCC1 ZINC001323337475 960659677 /nfs/dbraw/zinc/65/96/77/960659677.db2.gz WOWPMNUFTUOCLQ-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001418642065 960840981 /nfs/dbraw/zinc/84/09/81/960840981.db2.gz SGCZJLYCPWAJFZ-GJZGRUSLSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001418661465 960866404 /nfs/dbraw/zinc/86/64/04/960866404.db2.gz RXLZKWXRYVUVOA-FPCVCCKLSA-N 2 0 295.471 1.859 10 0 CDAERP C[C@H](C(=O)NC[C@@H]1CC[N@H+](CCF)C1)[NH+]1CCCCCC1 ZINC001418682672 960900347 /nfs/dbraw/zinc/90/03/47/960900347.db2.gz IZVDPCSPZWBJGG-CABCVRRESA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)CC1 ZINC001434033069 960910201 /nfs/dbraw/zinc/91/02/01/960910201.db2.gz YVMIYCHHWQOBMA-GDBMZVCRSA-N 2 0 295.471 1.905 10 0 CDAERP O=C(C[NH+]1CCCC1)NCC[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001418923518 961163283 /nfs/dbraw/zinc/16/32/83/961163283.db2.gz ZTHJEJGRTPJWTR-OAHLLOKOSA-N 2 0 279.428 1.320 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NCC1C[NH+](CC[C@H](C)F)C1 ZINC001419043099 961296883 /nfs/dbraw/zinc/29/68/83/961296883.db2.gz MRLGOFKLYZSOKJ-LBPRGKRZSA-N 2 0 273.396 1.123 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCC1CC1)C1CC1 ZINC001419236427 961536628 /nfs/dbraw/zinc/53/66/28/961536628.db2.gz BLNRNYVQBYHCMZ-GJZGRUSLSA-N 2 0 279.428 1.365 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001419467847 961739659 /nfs/dbraw/zinc/73/96/59/961739659.db2.gz JKZBGUPPFSCJDR-KBPBESRZSA-N 2 0 283.460 1.859 10 0 CDAERP O=C(N[C@H]1C[C@@H]([NH2+]C/C=C\Cl)C1)C12CCC[NH+]1CCC2 ZINC001419480010 961751289 /nfs/dbraw/zinc/75/12/89/961751289.db2.gz DJQAULXHLWGGEQ-FXWHHLEPSA-N 2 0 297.830 1.604 10 0 CDAERP Cc1nc(C[NH2+]C[C@@H](C)CNC(=O)CC[NH+](C)C)oc1C ZINC001419524289 961789216 /nfs/dbraw/zinc/78/92/16/961789216.db2.gz WTOXLLJOBOIVOX-LLVKDONJSA-N 2 0 296.415 1.085 10 0 CDAERP COC[C@@H](C)[N@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001420052079 962418754 /nfs/dbraw/zinc/41/87/54/962418754.db2.gz PDYVHIZOBYKRRL-CABCVRRESA-N 2 0 299.459 1.284 10 0 CDAERP CC(C)[NH2+][C@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001436834032 962447180 /nfs/dbraw/zinc/44/71/80/962447180.db2.gz POQLVHKAZCHIDR-HZPDHXFCSA-N 2 0 295.471 2.000 10 0 CDAERP CC(C)[C@@H](C(=O)NCC[C@@H](C)[NH2+]CCF)[NH+]1CCCC1 ZINC001420164852 962512926 /nfs/dbraw/zinc/51/29/26/962512926.db2.gz LCPCAEOPHUYSMS-KGLIPLIRSA-N 2 0 287.423 1.561 10 0 CDAERP C[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)CCC1CC1 ZINC001420289322 962688022 /nfs/dbraw/zinc/68/80/22/962688022.db2.gz ZVOJVKPEEGEPNB-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP Cc1ccc(C[NH2+][C@@H](C)CNC(=O)C[NH+]2CCCC2)cc1 ZINC001437261535 962776268 /nfs/dbraw/zinc/77/62/68/962776268.db2.gz OBGKZJFDCYUTAX-HNNXBMFYSA-N 2 0 289.423 1.685 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001420481697 962961511 /nfs/dbraw/zinc/96/15/11/962961511.db2.gz BSILZQYKHLPDSV-GJZGRUSLSA-N 2 0 281.444 1.565 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+](CC[C@@H](C)F)C1 ZINC001437728725 963146097 /nfs/dbraw/zinc/14/60/97/963146097.db2.gz YQHQUHIGHNLINQ-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP CC[NH+](CC)CC[C@H](C)NC(=O)[C@@H](C)CC[NH+](C)C ZINC001420733205 963210941 /nfs/dbraw/zinc/21/09/41/963210941.db2.gz NTTFHPLPGSKTJL-KBPBESRZSA-N 2 0 271.449 1.811 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@]1(C)CC[N@H+](CC)C1 ZINC001421209692 963500591 /nfs/dbraw/zinc/50/05/91/963500591.db2.gz PNKCEUKYAUXUAF-TZMCWYRMSA-N 2 0 273.396 1.267 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001421208990 963501154 /nfs/dbraw/zinc/50/11/54/963501154.db2.gz LSMCCRWXTPDIAR-INIZCTEOSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H](C[NH2+]Cc1ccsc1)NC(=O)C[NH+]1CCCC1 ZINC001439180144 963663976 /nfs/dbraw/zinc/66/39/76/963663976.db2.gz WOQDVWIJSZUTJZ-GFCCVEGCSA-N 2 0 281.425 1.438 10 0 CDAERP C[C@@H](C[NH2+][C@@H](C)c1cccc(F)c1)NC(=O)CC[NH+](C)C ZINC001439245738 963690433 /nfs/dbraw/zinc/69/04/33/963690433.db2.gz OFFZARULDDTQET-STQMWFEESA-N 2 0 295.402 1.933 10 0 CDAERP C[C@H](C[N@@H+](C)CC[C@H](C)F)NC(=O)C1([NH+](C)C)CCC1 ZINC001439328822 963723340 /nfs/dbraw/zinc/72/33/40/963723340.db2.gz CQXFRIJGOXBINH-QWHCGFSZSA-N 2 0 287.423 1.655 10 0 CDAERP C[C@H](C[N@H+](C)Cc1ccsc1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001439402523 963752928 /nfs/dbraw/zinc/75/29/28/963752928.db2.gz CEFHWUXTKGHZDB-OCCSQVGLSA-N 2 0 295.452 1.636 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]Cc3ccsc3)CC2)C1 ZINC001439667758 963836039 /nfs/dbraw/zinc/83/60/39/963836039.db2.gz QXLLVCBKLWVTOX-CYBMUJFWSA-N 2 0 293.436 1.438 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[NH+](C(C)C)C2 ZINC001440111532 963929280 /nfs/dbraw/zinc/92/92/80/963929280.db2.gz OAAPLDDSKIOMEH-ZNMIVQPWSA-N 2 0 281.444 1.706 10 0 CDAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1([NH2+]CCF)CCC1 ZINC001440350454 963995195 /nfs/dbraw/zinc/99/51/95/963995195.db2.gz DATQDXPMVXLGPB-STQMWFEESA-N 2 0 285.407 1.457 10 0 CDAERP CC(C)C[N@H+](C)CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001440471212 964065584 /nfs/dbraw/zinc/06/55/84/964065584.db2.gz WZQFXGRVLUCMNK-UHFFFAOYSA-N 2 0 281.444 1.519 10 0 CDAERP CC(C)OCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001440938465 964273355 /nfs/dbraw/zinc/27/33/55/964273355.db2.gz VCIZLFYTIHNHHW-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]C(C)C)C1CC1 ZINC001441292426 964451244 /nfs/dbraw/zinc/45/12/44/964451244.db2.gz GSBBOHICWCMBEJ-HUUCEWRRSA-N 2 0 281.444 1.754 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001441393422 964495776 /nfs/dbraw/zinc/49/57/76/964495776.db2.gz DNKQLNCJJDPLJV-KKUMJFAQSA-N 2 0 293.455 1.898 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccnc2)C1 ZINC001441520407 964570240 /nfs/dbraw/zinc/57/02/40/964570240.db2.gz GPIHCAWKOOUSTN-GASCZTMLSA-N 2 0 290.411 1.160 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CCC2CC2)C(C)(C)C1 ZINC001441941781 964797731 /nfs/dbraw/zinc/79/77/31/964797731.db2.gz YVMRYMSDAWQSTA-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]C/C=C/Cl ZINC001441953237 964804777 /nfs/dbraw/zinc/80/47/77/964804777.db2.gz RHIBECNUCXHZTL-CHULQOHASA-N 2 0 273.808 1.175 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(F)cc1 ZINC001442055887 964850652 /nfs/dbraw/zinc/85/06/52/964850652.db2.gz VOSFOMOJVJWXIG-GXTWGEPZSA-N 2 0 293.386 1.372 10 0 CDAERP CC[N@H+](CCNC(=O)C[NH+]1CCCC1)CC[C@@H](C)F ZINC001442746924 965196798 /nfs/dbraw/zinc/19/67/98/965196798.db2.gz SSZCVVVOFOKOGI-CYBMUJFWSA-N 2 0 273.396 1.268 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001442803304 965224852 /nfs/dbraw/zinc/22/48/52/965224852.db2.gz UNEZCQNFYINNCD-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+](CCC3CC3)C2)C1 ZINC001442890708 965263856 /nfs/dbraw/zinc/26/38/56/965263856.db2.gz MACIUDSXSPZMBX-ZBFHGGJFSA-N 2 0 293.455 1.566 10 0 CDAERP CCCN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](CCCF)C1 ZINC001443186112 965383199 /nfs/dbraw/zinc/38/31/99/965383199.db2.gz JQQJFIKONACYDV-HNNXBMFYSA-N 2 0 299.434 1.755 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccccc1)NC(=O)C[NH+]1CCCC1 ZINC001445650220 966265110 /nfs/dbraw/zinc/26/51/10/966265110.db2.gz SNNZARIXUOGROL-AWEZNQCLSA-N 2 0 275.396 1.377 10 0 CDAERP [NH3+]CCCCCCNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC001349121045 966273140 /nfs/dbraw/zinc/27/31/40/966273140.db2.gz ZOAYPWZNHXLQKD-AWEZNQCLSA-N 2 0 280.416 1.161 10 0 CDAERP CC[C@H](C)C[NH+]1CC(N(C)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001446369559 966527617 /nfs/dbraw/zinc/52/76/17/966527617.db2.gz ASLTVQQYXWISFT-ZDUSSCGKSA-N 2 0 281.444 1.659 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[NH+](CCCF)C2 ZINC001446920162 966658458 /nfs/dbraw/zinc/65/84/58/966658458.db2.gz CJWGIFFSBHTTME-KKUMJFAQSA-N 2 0 299.434 1.657 10 0 CDAERP CO[C@H]1C[C@H](C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC001350956110 966810687 /nfs/dbraw/zinc/81/06/87/966810687.db2.gz LZFLPJIEYHGZDG-YYFQZIEXSA-N 2 0 268.401 1.158 10 0 CDAERP Cc1ncc(C[NH2+][C@@H](C)CCNC(=O)C[NH+]2CCCC2)o1 ZINC001447694269 966847801 /nfs/dbraw/zinc/84/78/01/966847801.db2.gz LCZYFPOVFGLWJF-LBPRGKRZSA-N 2 0 294.399 1.063 10 0 CDAERP Cc1cc(C[NH2+][C@H](C)[C@H](C)NC(=O)CC[NH+](C)C)cs1 ZINC001447897685 966919690 /nfs/dbraw/zinc/91/96/90/966919690.db2.gz INLPYAYRBWHWRR-OLZOCXBDSA-N 2 0 297.468 1.991 10 0 CDAERP CC[C@H](F)C[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001448771189 967247324 /nfs/dbraw/zinc/24/73/24/967247324.db2.gz FACHNDRMCTXEBV-OLZOCXBDSA-N 2 0 275.412 1.511 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@@]12CCC[C@H]1[N@H+](CC1CC1)CC2 ZINC001449006768 967331890 /nfs/dbraw/zinc/33/18/90/967331890.db2.gz GRRCCBOIGPTARW-NVXWUHKLSA-N 2 0 293.455 1.851 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]C(C)C)[C@@H]2C1 ZINC001449036812 967342970 /nfs/dbraw/zinc/34/29/70/967342970.db2.gz IPTXLEBVHSXZIZ-ARFHVFGLSA-N 2 0 295.471 1.953 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)[C@@H](C)CC[NH+](C)C)CC1 ZINC001547440685 967461450 /nfs/dbraw/zinc/46/14/50/967461450.db2.gz KBFZBPCDIWTXPX-ZDUSSCGKSA-N 2 0 269.433 1.517 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)NCC[NH+]1CC=CC1 ZINC001457654828 969191442 /nfs/dbraw/zinc/19/14/42/969191442.db2.gz FJMFFHVLOCTMFH-AWEZNQCLSA-N 2 0 265.401 1.239 10 0 CDAERP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)CC[NH+]1CC[C@H](F)C1 ZINC001465464291 969875739 /nfs/dbraw/zinc/87/57/39/969875739.db2.gz RIQDYAGVVRXDHU-GJZGRUSLSA-N 2 0 299.434 1.753 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]([NH+]3CCC3)C2)C1 ZINC001470340979 970318506 /nfs/dbraw/zinc/31/85/06/970318506.db2.gz PVPKACQYBVYXCH-GJZGRUSLSA-N 2 0 279.428 1.413 10 0 CDAERP C[NH+](C)C1(C)CCC(NC(=O)CC[N@@H+]2CC[C@@H](F)C2)CC1 ZINC001471261522 970406493 /nfs/dbraw/zinc/40/64/93/970406493.db2.gz DHYRAQDUZZQRDT-VQCLRJIVSA-N 2 0 299.434 1.799 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC001361732362 970472516 /nfs/dbraw/zinc/47/25/16/970472516.db2.gz RZXJXYQUINUNSB-HZPDHXFCSA-N 2 0 293.455 1.804 10 0 CDAERP CCN1CC[C@@H]1C(=O)NCCNc1ccc(C)cn1 ZINC001472012964 970536510 /nfs/dbraw/zinc/53/65/10/970536510.db2.gz QWWOIBQHLLTAFD-GFCCVEGCSA-N 2 0 262.357 1.012 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)C[NH+]2CCCC2)C1 ZINC001361877699 970634304 /nfs/dbraw/zinc/63/43/04/970634304.db2.gz UWYLDZGIXIQSOV-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)[N@H+](C)C1CC1 ZINC001361897963 970654990 /nfs/dbraw/zinc/65/49/90/970654990.db2.gz BCVWZCKPAAESBK-IPYPFGDCSA-N 2 0 281.444 1.706 10 0 CDAERP CC[C@H](C(=O)N[C@]1(C)CC[N@H+](CCCCOC)C1)[NH+](C)C ZINC001569641910 1169948286 /nfs/dbraw/zinc/94/82/86/1169948286.db2.gz WHBITBBBOYLVBS-GDBMZVCRSA-N 2 0 299.459 1.334 10 0 CDAERP CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]C/C=C/Cl)[NH+](C)C ZINC001495742036 972617143 /nfs/dbraw/zinc/61/71/43/972617143.db2.gz NWEFLMIUVYCESW-KZQRZKTQSA-N 2 0 275.824 1.421 10 0 CDAERP CCN(CCF)CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001372476301 972967096 /nfs/dbraw/zinc/96/70/96/972967096.db2.gz MOICBVXYXJIZEZ-STQMWFEESA-N 2 0 273.396 1.267 10 0 CDAERP C[C@H](F)CC[NH2+]CC[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001497219367 973249039 /nfs/dbraw/zinc/24/90/39/973249039.db2.gz GJTYFOLSWBVLPN-KBPBESRZSA-N 2 0 299.434 1.847 10 0 CDAERP CC[C@@H](F)C[NH2+]CCN(CC)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001497456796 973354916 /nfs/dbraw/zinc/35/49/16/973354916.db2.gz YILQQKWJOWEFCS-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP Cc1ncccc1C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001497798230 973517585 /nfs/dbraw/zinc/51/75/85/973517585.db2.gz TWBXXEDUKPPFJZ-DOMZBBRYSA-N 2 0 290.411 1.079 10 0 CDAERP CC[NH2+][C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001417998678 973522790 /nfs/dbraw/zinc/52/27/90/973522790.db2.gz MMCNPRHAIHYYRG-DZGCQCFKSA-N 2 0 281.444 1.755 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001373640800 973540835 /nfs/dbraw/zinc/54/08/35/973540835.db2.gz WIABRFVIJQUTNX-OAHLLOKOSA-N 2 0 275.396 1.329 10 0 CDAERP C[C@@H](C[NH2+]CCF)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001498053027 973649322 /nfs/dbraw/zinc/64/93/22/973649322.db2.gz DHACBEOOXDITKU-JSGCOSHPSA-N 2 0 285.407 1.457 10 0 CDAERP CCc1onc(C)c1C[NH2+][C@H](C)CNC(=O)CC[NH+](C)C ZINC001418267482 973710960 /nfs/dbraw/zinc/71/09/60/973710960.db2.gz LRRFBNGCCMTDAV-LLVKDONJSA-N 2 0 296.415 1.091 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001418525961 973928998 /nfs/dbraw/zinc/92/89/98/973928998.db2.gz AVMRQSUDFPKSDD-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CN(CCC[NH2+]C[C@H]1CCCCO1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001498525717 973968137 /nfs/dbraw/zinc/96/81/37/973968137.db2.gz DHBVEOIKNUCJFG-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CCCC[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001498597655 973992314 /nfs/dbraw/zinc/99/23/14/973992314.db2.gz MKLUUVQLSNOBEH-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP C[C@@H]1[C@H](C(=O)N[C@H](C[NH2+]CC2CCC2)C2CC2)CC[N@@H+]1C ZINC001498757775 974049162 /nfs/dbraw/zinc/04/91/62/974049162.db2.gz CZNZPTITDFJGPX-DAXOMENPSA-N 2 0 293.455 1.611 10 0 CDAERP O=C(N[C@@H](C[NH2+]CCCF)C1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001498759723 974051697 /nfs/dbraw/zinc/05/16/97/974051697.db2.gz JTQRPFOHXBYJHA-GJZGRUSLSA-N 2 0 297.418 1.172 10 0 CDAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC[C@@H](C)F)CC1 ZINC001499225517 974218645 /nfs/dbraw/zinc/21/86/45/974218645.db2.gz DOIBPXFFVYXTQG-ZIAGYGMSSA-N 2 0 299.434 1.846 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCCF ZINC001499560339 974267623 /nfs/dbraw/zinc/26/76/23/974267623.db2.gz HJMGJSMTQINSPO-GASCZTMLSA-N 2 0 299.434 1.753 10 0 CDAERP CCC(CC)C[N@@H+]1CC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001375342234 974345154 /nfs/dbraw/zinc/34/51/54/974345154.db2.gz BHNKZGRLVYWHKX-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CCF)C2CCCC2)CC1 ZINC001500106628 974375395 /nfs/dbraw/zinc/37/53/95/974375395.db2.gz INCCMCJBMDAXJP-HNNXBMFYSA-N 2 0 299.434 1.562 10 0 CDAERP CN(C[C@H]1CC[N@@H+]1C[C@H]1CCCCO1)C(=O)CC[NH+](C)C ZINC001375463702 974393225 /nfs/dbraw/zinc/39/32/25/974393225.db2.gz AQXZQGAELIMHCV-HUUCEWRRSA-N 2 0 297.443 1.040 10 0 CDAERP CC[C@H](C(=O)N1CC[C@@](C)(C[NH2+]CC2CC2)C1)[NH+](C)C ZINC001375899499 974503751 /nfs/dbraw/zinc/50/37/51/974503751.db2.gz VMTOFGVEKKSIPO-ZBFHGGJFSA-N 2 0 281.444 1.565 10 0 CDAERP CC[NH2+]CC[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001501587330 974602635 /nfs/dbraw/zinc/60/26/35/974602635.db2.gz QWYNAZAPFRXGMO-AWEZNQCLSA-N 2 0 279.428 1.463 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C/C=C\Cl)C2 ZINC001376306527 974626886 /nfs/dbraw/zinc/62/68/86/974626886.db2.gz RALDWWCQYCYCOD-OFIDWGNQSA-N 2 0 299.846 1.660 10 0 CDAERP CC[C@@H](C(=O)NCC1([NH2+]CCCF)CCC1)[NH+](C)C ZINC001502017494 974674747 /nfs/dbraw/zinc/67/47/47/974674747.db2.gz MDWPRZFEHOBUKQ-LBPRGKRZSA-N 2 0 273.396 1.315 10 0 CDAERP CCOCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001502142383 974704101 /nfs/dbraw/zinc/70/41/01/974704101.db2.gz GEQMASNHGFFSCH-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@@H]1CC[C@@H](C[NH2+]C2(CNC(=O)CC[NH+](C)C)CCC2)O1 ZINC001376776486 974763846 /nfs/dbraw/zinc/76/38/46/974763846.db2.gz OJOSCFGBXATOMA-KGLIPLIRSA-N 2 0 297.443 1.134 10 0 CDAERP CCC[N@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001376978038 974836665 /nfs/dbraw/zinc/83/66/65/974836665.db2.gz MTLKTFASICQNQQ-GJZGRUSLSA-N 2 0 283.460 1.907 10 0 CDAERP Cc1oncc1C[NH2+][C@@H](C)CCNC(=O)C[N@H+](C)C(C)C ZINC001377106615 974885013 /nfs/dbraw/zinc/88/50/13/974885013.db2.gz GTHRHEOFXNDIMJ-LBPRGKRZSA-N 2 0 296.415 1.308 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)C(C)C ZINC001505466079 974887593 /nfs/dbraw/zinc/88/75/93/974887593.db2.gz RTDLAUXUDLMCPH-CQSZACIVSA-N 2 0 269.433 1.659 10 0 CDAERP C[C@H](NC(=O)C1([NH+](C)C)CCC1)[C@H](C)[NH2+]CCC1CC1 ZINC001505622171 974941535 /nfs/dbraw/zinc/94/15/35/974941535.db2.gz QNAGELQUJMXEHT-STQMWFEESA-N 2 0 281.444 1.754 10 0 CDAERP CC1CCC(C[N@H+](C)CCNC(=O)CC[NH+](C)C)CC1 ZINC001377261087 974948886 /nfs/dbraw/zinc/94/88/86/974948886.db2.gz PECVWTRJSJVPCM-UHFFFAOYSA-N 2 0 283.460 1.812 10 0 CDAERP C[NH+]1CCC(CC(=O)N2CCC(C)([NH2+]CCF)CC2)CC1 ZINC001377301572 974966804 /nfs/dbraw/zinc/96/68/04/974966804.db2.gz JHWBSJRMDAYOFG-UHFFFAOYSA-N 2 0 299.434 1.659 10 0 CDAERP CC[N@H+](CCCF)CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001377317676 974974883 /nfs/dbraw/zinc/97/48/83/974974883.db2.gz UUGZOHNYJYCGIN-LSDHHAIUSA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001505757928 974983361 /nfs/dbraw/zinc/98/33/61/974983361.db2.gz XGNPKFIEOBWOFD-KBPBESRZSA-N 2 0 269.433 1.611 10 0 CDAERP CCN(CCNC(=O)C[NH+]1CCCC1)Cc1cnoc1C ZINC001377366238 974987152 /nfs/dbraw/zinc/98/71/52/974987152.db2.gz RIMSFZAFGAOMDQ-UHFFFAOYSA-N 2 0 294.399 1.017 10 0 CDAERP CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001377617826 975087722 /nfs/dbraw/zinc/08/77/22/975087722.db2.gz GADLKGMJNUMXAB-SQWLQELKSA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@H](C(=O)NCC[C@H]1CC[N@H+](CCF)C1)[NH+](C)C ZINC001377713708 975118977 /nfs/dbraw/zinc/11/89/77/975118977.db2.gz AMJHVWDDCONTSO-QWHCGFSZSA-N 2 0 273.396 1.124 10 0 CDAERP CC[C@@H](F)C[NH2+]CC1CC(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001377733330 975121668 /nfs/dbraw/zinc/12/16/68/975121668.db2.gz JUAGOEXPWJSOKQ-ROKHWSDSSA-N 2 0 287.423 1.559 10 0 CDAERP CC[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CCC2CC2)C1)[NH+](C)C ZINC001377755988 975129884 /nfs/dbraw/zinc/12/98/84/975129884.db2.gz PRXKSLBYZRDBEG-JKSUJKDBSA-N 2 0 295.471 1.907 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001377838666 975152579 /nfs/dbraw/zinc/15/25/79/975152579.db2.gz VQOYRCYRPPASPZ-KGLIPLIRSA-N 2 0 299.434 1.799 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccns1 ZINC001377877085 975164804 /nfs/dbraw/zinc/16/48/04/975164804.db2.gz FECMQHADRFYLSS-NWDGAFQWSA-N 2 0 298.456 1.468 10 0 CDAERP CC(C)[NH2+]CCC[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001506924417 975262466 /nfs/dbraw/zinc/26/24/66/975262466.db2.gz WETUAIGMSFWJHL-DZGCQCFKSA-N 2 0 281.444 1.611 10 0 CDAERP CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]C/C=C\Cl ZINC001378323642 975329699 /nfs/dbraw/zinc/32/96/99/975329699.db2.gz XOBBJWPUVZWKHD-GCLPIYDQSA-N 2 0 285.819 1.319 10 0 CDAERP COC[C@@H](C)[NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCCC1 ZINC001378383622 975341305 /nfs/dbraw/zinc/34/13/05/975341305.db2.gz PAGHMAFKTRUGJA-CQSZACIVSA-N 2 0 297.443 1.136 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)[C@@H]1C ZINC001507293673 975402161 /nfs/dbraw/zinc/40/21/61/975402161.db2.gz UZSOAZGFLNYGTE-KGLIPLIRSA-N 2 0 269.433 1.707 10 0 CDAERP CC/C=C\CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001507323615 975416189 /nfs/dbraw/zinc/41/61/89/975416189.db2.gz YOFKIAZQNIRZOM-YOVCOIKASA-N 2 0 281.444 1.873 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CCCF)CN1C(=O)CC1CC[NH+](C)CC1 ZINC001507328461 975417647 /nfs/dbraw/zinc/41/76/47/975417647.db2.gz VPRZWRNVPZUQDE-UKRRQHHQSA-N 2 0 299.434 1.657 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C ZINC001507452366 975475084 /nfs/dbraw/zinc/47/50/84/975475084.db2.gz MCLQGMNCRVTZDT-KGLIPLIRSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCF ZINC001378973233 975571827 /nfs/dbraw/zinc/57/18/27/975571827.db2.gz UXVLVMYWYBPZDG-JHJVBQTASA-N 2 0 273.396 1.027 10 0 CDAERP CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)[C@H]21 ZINC001388769560 975588041 /nfs/dbraw/zinc/58/80/41/975588041.db2.gz QLRLWQBPQQPPFK-BMFZPTHFSA-N 2 0 295.471 1.952 10 0 CDAERP CCCC[N@H+]1CC=C(CNC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001508227398 975646599 /nfs/dbraw/zinc/64/65/99/975646599.db2.gz LXAQNAYRDXQIKN-MRXNPFEDSA-N 2 0 293.455 1.877 10 0 CDAERP CC[N@H+](C)CCN(C)C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001379100138 975664321 /nfs/dbraw/zinc/66/43/21/975664321.db2.gz RGAMTCAIBVMSOG-OAHLLOKOSA-N 2 0 287.423 1.609 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)[NH2+]CCF ZINC001405266852 975695597 /nfs/dbraw/zinc/69/55/97/975695597.db2.gz NUFQAUJZQYGBEI-ZIAGYGMSSA-N 2 0 287.423 1.561 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1cnc(C)s1)[NH+](C)C ZINC001379454482 975852024 /nfs/dbraw/zinc/85/20/24/975852024.db2.gz ZUDDAGGINXOENB-ZWNOBZJWSA-N 2 0 298.456 1.386 10 0 CDAERP CC(C)[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001379623247 975962879 /nfs/dbraw/zinc/96/28/79/975962879.db2.gz NGMWMKKUWDZPFV-RBSFLKMASA-N 2 0 281.444 1.563 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001389878830 976031002 /nfs/dbraw/zinc/03/10/02/976031002.db2.gz BDSMTIYNQLCBFN-AJNGGQMLSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001389911308 976040500 /nfs/dbraw/zinc/04/05/00/976040500.db2.gz XTGFGVSGMFKADP-RBSFLKMASA-N 2 0 281.444 1.752 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001406133399 976054364 /nfs/dbraw/zinc/05/43/64/976054364.db2.gz ZFPANKWJPXRIAY-GJZGRUSLSA-N 2 0 283.460 1.765 10 0 CDAERP COCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C(C)C ZINC001401991852 976061636 /nfs/dbraw/zinc/06/16/36/976061636.db2.gz KKVABGBRBGNKHK-CABCVRRESA-N 2 0 297.443 1.038 10 0 CDAERP CC(C)CCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001379788242 976076470 /nfs/dbraw/zinc/07/64/70/976076470.db2.gz WDGSODCACITBIP-CABCVRRESA-N 2 0 283.460 1.811 10 0 CDAERP CCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001390065964 976109232 /nfs/dbraw/zinc/10/92/32/976109232.db2.gz QHLADQUBXHWRCX-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]C/C=C/Cl ZINC001390389920 976273780 /nfs/dbraw/zinc/27/37/80/976273780.db2.gz BFKIIEJIKKVPJC-ONYUAGEFSA-N 2 0 273.808 1.318 10 0 CDAERP C[C@@H](C[N@H+](C)Cc1ccsc1)NC(=O)[C@H]1CCC[NH+]1C ZINC001406588720 976280292 /nfs/dbraw/zinc/28/02/92/976280292.db2.gz WGEFEYVWEIUAEW-GXTWGEPZSA-N 2 0 295.452 1.779 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1scnc1C)[NH+](C)C ZINC001390512016 976345446 /nfs/dbraw/zinc/34/54/46/976345446.db2.gz RBOVGIRSMDKAFH-CMPLNLGQSA-N 2 0 298.456 1.386 10 0 CDAERP Cc1cccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001399119427 976352028 /nfs/dbraw/zinc/35/20/28/976352028.db2.gz QKBQJINXFKQIBF-GOEBONIOSA-N 2 0 289.423 1.541 10 0 CDAERP Cc1ncoc1C[N@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001380364062 976386481 /nfs/dbraw/zinc/38/64/81/976386481.db2.gz YBDFYQPOLYHGTD-HNNXBMFYSA-N 2 0 294.399 1.015 10 0 CDAERP CC(C)[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001380392578 976405435 /nfs/dbraw/zinc/40/54/35/976405435.db2.gz DAHLRQKMBGNXPC-NVXWUHKLSA-N 2 0 293.455 1.565 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]([NH2+]CC2CC(C)C2)C1)[NH+](C)C ZINC001402627566 976408356 /nfs/dbraw/zinc/40/83/56/976408356.db2.gz IQTZEACCTAKWLU-NEADZQPHSA-N 2 0 295.471 1.856 10 0 CDAERP Cc1ncoc1C[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001390645160 976412394 /nfs/dbraw/zinc/41/23/94/976412394.db2.gz GZTBOWDMJHUKQF-DGCLKSJQSA-N 2 0 294.399 1.062 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH+](C)CCCF)C2)CC[N@@H+]1C ZINC001399295546 976417418 /nfs/dbraw/zinc/41/74/18/976417418.db2.gz SNBMKQIPRDKCSJ-RBSFLKMASA-N 2 0 299.434 1.609 10 0 CDAERP CC[C@@H](F)C[NH2+][C@@H](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001390695374 976441961 /nfs/dbraw/zinc/44/19/61/976441961.db2.gz CKXQUHHAPXQFQB-GXTWGEPZSA-N 2 0 287.423 1.561 10 0 CDAERP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]C/C=C/Cl ZINC001402783241 976480344 /nfs/dbraw/zinc/48/03/44/976480344.db2.gz JUXGVCUEOWKMNR-DRHCNIFCSA-N 2 0 285.819 1.271 10 0 CDAERP CC[NH2+]C1(C)CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001402786012 976480742 /nfs/dbraw/zinc/48/07/42/976480742.db2.gz RDVNXZUPARWXJL-ZDUSSCGKSA-N 2 0 287.423 1.657 10 0 CDAERP O=C(NCC1([NH2+]CCF)CC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001406935688 976484137 /nfs/dbraw/zinc/48/41/37/976484137.db2.gz HADLELNOCOJYGI-OLZOCXBDSA-N 2 0 283.391 1.211 10 0 CDAERP C[NH+](C)CCCC(=O)NCC[N@H+](C)CC1CC2(CCC2)C1 ZINC001390807764 976526504 /nfs/dbraw/zinc/52/65/04/976526504.db2.gz MDKIWYRIJUXQNC-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)CCC(C)(C)C ZINC001399499325 976531275 /nfs/dbraw/zinc/53/12/75/976531275.db2.gz SLMLABZEAZYSHZ-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001407177458 976594065 /nfs/dbraw/zinc/59/40/65/976594065.db2.gz HYTQHYCQUCSSBB-ZBFHGGJFSA-N 2 0 281.444 1.709 10 0 CDAERP C[NH+](C)CCC(=O)NC1CC(C[NH2+]Cc2cncs2)C1 ZINC001402948334 976608808 /nfs/dbraw/zinc/60/88/08/976608808.db2.gz BYXOFBGPLLTJIW-UHFFFAOYSA-N 2 0 296.440 1.079 10 0 CDAERP Cc1ncsc1C[NH2+][C@H](C)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001403026465 976668601 /nfs/dbraw/zinc/66/86/01/976668601.db2.gz ABACIYXDWJQCEL-GHMZBOCLSA-N 2 0 298.456 1.386 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001391103839 976693051 /nfs/dbraw/zinc/69/30/51/976693051.db2.gz GANVSQMSZJPHDZ-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+](C/C=C/Cl)C2)C1 ZINC001391104091 976693440 /nfs/dbraw/zinc/69/34/40/976693440.db2.gz VMFSRSHXRRVPNA-UUQASAMASA-N 2 0 299.846 1.519 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1CC1CCC1 ZINC001399890658 976725388 /nfs/dbraw/zinc/72/53/88/976725388.db2.gz FKBPSPYXPBFMIM-HNNXBMFYSA-N 2 0 281.444 1.707 10 0 CDAERP CCC(CC)C[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001403206549 976816160 /nfs/dbraw/zinc/81/61/60/976816160.db2.gz SXSLILYVUBZXDZ-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP CC[N@H+](C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001403225192 976824910 /nfs/dbraw/zinc/82/49/10/976824910.db2.gz KXJXXLONVHMESL-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP CC[N@H+](C)[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001403225188 976825603 /nfs/dbraw/zinc/82/56/03/976825603.db2.gz KXJXXLONVHMESL-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001403274877 976846663 /nfs/dbraw/zinc/84/66/63/976846663.db2.gz PDVPFXKCLNDUCG-GJZGRUSLSA-N 2 0 293.455 1.566 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CC2CCC2)C1 ZINC001408085113 976907130 /nfs/dbraw/zinc/90/71/30/976907130.db2.gz PKQQJCSDXCFEGB-DZGCQCFKSA-N 2 0 281.444 1.563 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001403442353 976953972 /nfs/dbraw/zinc/95/39/72/976953972.db2.gz RBLRUVADXHFVIJ-RBSFLKMASA-N 2 0 295.471 1.859 10 0 CDAERP CO[C@H](C)C[NH2+][C@H](C)CN(C)C(=O)C(C)(C)c1cnc[nH]1 ZINC001403618200 977107863 /nfs/dbraw/zinc/10/78/63/977107863.db2.gz SLXNTENTGVBCSV-VXGBXAGGSA-N 2 0 296.415 1.159 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C[NH2+]CC1CCC1)C1CC1 ZINC001382044527 977134192 /nfs/dbraw/zinc/13/41/92/977134192.db2.gz SFQMBBFKFSBGHK-INIZCTEOSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC1CCCCC1 ZINC001382163628 977194670 /nfs/dbraw/zinc/19/46/70/977194670.db2.gz QBZLITSBFAOFOX-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[NH2+]C[C@H](C)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001392073955 977211175 /nfs/dbraw/zinc/21/11/75/977211175.db2.gz IQYUKYQRAVONKX-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CCF ZINC001392237473 977275758 /nfs/dbraw/zinc/27/57/58/977275758.db2.gz RGVKPCSSWFYHNM-QWHCGFSZSA-N 2 0 273.396 1.028 10 0 CDAERP CC(C)(C)[C@@H](C[NH2+]CC1CC1)NC(=O)C[NH+]1CCCC1 ZINC001403972620 977288568 /nfs/dbraw/zinc/28/85/68/977288568.db2.gz JMDKSSMNQFFHLU-CQSZACIVSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C)CN(C)Cc1cnc(C)o1)[NH+](C)C ZINC001392688291 977548775 /nfs/dbraw/zinc/54/87/75/977548775.db2.gz RUPDDRAQLHJXCB-FZMZJTMJSA-N 2 0 296.415 1.260 10 0 CDAERP CC[C@H](F)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001392928629 977654266 /nfs/dbraw/zinc/65/42/66/977654266.db2.gz ZOSJOJLMAAWPFP-NWDGAFQWSA-N 2 0 271.380 1.067 10 0 CDAERP CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001392992410 977670002 /nfs/dbraw/zinc/67/00/02/977670002.db2.gz PUJBSUWPDDUNMM-MRXNPFEDSA-N 2 0 281.444 1.663 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001393052667 977687868 /nfs/dbraw/zinc/68/78/68/977687868.db2.gz IBIHZTOWNBXASA-GJZGRUSLSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@H](CNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH+](C)CC1CC1 ZINC001394131647 978084503 /nfs/dbraw/zinc/08/45/03/978084503.db2.gz NCRKPYNKQQYMPT-CJNGLKHVSA-N 2 0 279.428 1.319 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@]12CCC[C@@H]1[NH+](C(C)C)CC2 ZINC001394682103 978231157 /nfs/dbraw/zinc/23/11/57/978231157.db2.gz DRZCOQKJHUZLOA-GOEBONIOSA-N 2 0 281.444 1.848 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)(C)C ZINC001394825685 978277355 /nfs/dbraw/zinc/27/73/55/978277355.db2.gz RZKSAUPRMFTMHV-IHRRRGAJSA-N 2 0 283.460 1.857 10 0 CDAERP CCCn1cncc1C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000090204021 1174140433 /nfs/dbraw/zinc/14/04/33/1174140433.db2.gz ILTDDVNXNHGZMO-UHFFFAOYSA-N 2 0 293.459 1.409 10 0 CDAERP CCC[NH2+]C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C(C)(C)C ZINC001677281812 1174344581 /nfs/dbraw/zinc/34/45/81/1174344581.db2.gz NGWJKRNVARVYER-KBPBESRZSA-N 2 0 283.460 1.859 10 0 CDAERP CC[C@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CC(C)C)[NH+](C)C ZINC001656075282 1171759823 /nfs/dbraw/zinc/75/98/23/1171759823.db2.gz QDVXADDDXGTMRL-ZIAGYGMSSA-N 2 0 269.433 1.515 10 0 CDAERP CCC(C)(C)[NH2+]C[C@H](O)CO[C@@H]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000675079492 539085880 /nfs/dbraw/zinc/08/58/80/539085880.db2.gz GVQXMFFZMDYZMH-BARDWOONSA-N 2 0 284.444 1.673 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)NCCC[NH+]2CCCCC2)C1 ZINC000618547294 349478495 /nfs/dbraw/zinc/47/84/95/349478495.db2.gz AKONTXMKCSXASV-CQSZACIVSA-N 2 0 282.432 1.256 10 0 CDAERP CS(=O)(=O)c1ccc(C[NH2+]CCC2(C[NH3+])CC2)s1 ZINC000650714183 398156735 /nfs/dbraw/zinc/15/67/35/398156735.db2.gz VINUCADTQKUXGU-UHFFFAOYSA-N 2 0 288.438 1.370 10 0 CDAERP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)C(C)(C)n1cncn1 ZINC000650757287 398181082 /nfs/dbraw/zinc/18/10/82/398181082.db2.gz TXCOMGUYGSEWDD-ZDUSSCGKSA-N 2 0 287.411 1.911 10 0 CDAERP CCOC(=O)c1ncc(CN2CC[C@@H](C)[C@@H](C[NH3+])C2)s1 ZINC000601326268 342553865 /nfs/dbraw/zinc/55/38/65/342553865.db2.gz SSCGWTXAYZPXKT-MNOVXSKESA-N 2 0 297.424 1.737 10 0 CDAERP Cc1nccn1CCC[N@@H+](C)C[C@@H](O)CC1(O)CCC1 ZINC000625262741 342060108 /nfs/dbraw/zinc/06/01/08/342060108.db2.gz GIGDMCGTLPTCIH-AWEZNQCLSA-N 2 0 281.400 1.179 10 0 CDAERP COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000592494364 342696735 /nfs/dbraw/zinc/69/67/35/342696735.db2.gz RIFAMNHUVUBDHU-ZBFHGGJFSA-N 2 0 290.407 1.907 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)CC(=O)Nc1ccccc1 ZINC000629392883 361909366 /nfs/dbraw/zinc/90/93/66/361909366.db2.gz VTGIOBOYQNYHEH-ZDUSSCGKSA-N 2 0 279.384 1.229 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(C)cc1OC ZINC000422872363 536596215 /nfs/dbraw/zinc/59/62/15/536596215.db2.gz GUOMEQHDICJAHH-CQSZACIVSA-N 2 0 266.385 1.847 10 0 CDAERP CCOC(=O)CC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000593728617 342830090 /nfs/dbraw/zinc/83/00/90/342830090.db2.gz AJDBHIRRBMRVQD-MCIONIFRSA-N 2 0 284.400 1.300 10 0 CDAERP CCOc1ccc(C[NH2+]CCOCCC[NH3+])cc1 ZINC000629397886 361928701 /nfs/dbraw/zinc/92/87/01/361928701.db2.gz FZHAUDZHWIKMCW-UHFFFAOYSA-N 2 0 252.358 1.540 10 0 CDAERP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CCOCCC[NH3+] ZINC000629400327 361937956 /nfs/dbraw/zinc/93/79/56/361937956.db2.gz UGDKURXVBPBLOU-NVXWUHKLSA-N 2 0 291.439 1.462 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1cnc(-c2ccccn2)s1 ZINC000629400835 361939581 /nfs/dbraw/zinc/93/95/81/361939581.db2.gz LMQAEPSHCPGOSH-UHFFFAOYSA-N 2 0 292.408 1.660 10 0 CDAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1N[C@@H]1CC[NH2+][C@H]1C ZINC000629408040 361961201 /nfs/dbraw/zinc/96/12/01/361961201.db2.gz PCRUEZYIJGPMBO-DIECFANBSA-N 2 0 273.424 1.847 10 0 CDAERP C[NH2+]CCOCC[NH2+]C1CCC2(CCOCC2)CC1 ZINC000629405878 361943976 /nfs/dbraw/zinc/94/39/76/361943976.db2.gz WQGSFAARERUNDX-UHFFFAOYSA-N 2 0 270.417 1.551 10 0 CDAERP CCc1noc(C2CCC([NH2+][C@@H]3CC[NH2+][C@H]3C)CC2)n1 ZINC000629408233 361964184 /nfs/dbraw/zinc/96/41/84/361964184.db2.gz RXMBLSUKDCGVIO-YWPUVAFDSA-N 2 0 278.400 1.998 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)Cc2cc(=O)c(O)co2)[C@H](C)C1 ZINC000081096261 342213741 /nfs/dbraw/zinc/21/37/41/342213741.db2.gz YPXXQZZHHURTLU-YPMHNXCESA-N 2 0 280.368 1.508 10 0 CDAERP C[NH2+]Cc1ccccc1NC(=O)[C@@H]([NH3+])COC(C)C ZINC000659303192 412494830 /nfs/dbraw/zinc/49/48/30/412494830.db2.gz LTSRVGZJFVOUSK-LBPRGKRZSA-N 2 0 265.357 1.097 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CC[NH+]2CC[C@H]1C2 ZINC000629995840 539083460 /nfs/dbraw/zinc/08/34/60/539083460.db2.gz MEOPJFMKWXKKTC-KGLIPLIRSA-N 2 0 265.401 1.167 10 0 CDAERP CC(C)[C@H]1CC[C@H]1[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000353503738 539098175 /nfs/dbraw/zinc/09/81/75/539098175.db2.gz PDOHSJKHLSXFHY-RBSFLKMASA-N 2 0 253.434 1.647 10 0 CDAERP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)[C@@H]1SC ZINC000594614187 342928049 /nfs/dbraw/zinc/92/80/49/342928049.db2.gz JHGGLFFLGKIAMT-ITGHMWBKSA-N 2 0 272.458 1.825 10 0 CDAERP CC[N@@H+]1CC[C@@H](C[NH2+]C2CCC(NC(C)=O)CC2)C1 ZINC000132573651 342270273 /nfs/dbraw/zinc/27/02/73/342270273.db2.gz YMXOYIVLVQSZQI-NFOMZHRRSA-N 2 0 267.417 1.365 10 0 CDAERP COC(=O)CCCC[N@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000599318168 344017057 /nfs/dbraw/zinc/01/70/57/344017057.db2.gz VMAFGZXKGMSGNJ-STQMWFEESA-N 2 0 256.390 1.744 10 0 CDAERP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@](C)(O)C(C)=O ZINC000626063894 342297526 /nfs/dbraw/zinc/29/75/26/342297526.db2.gz USJCGCGZVITJPP-KRWDZBQOSA-N 2 0 292.423 1.910 10 0 CDAERP C[C@@H](CSCCF)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000595007263 342989997 /nfs/dbraw/zinc/98/99/97/342989997.db2.gz LMGPTWHRZSBZBF-ZDUSSCGKSA-N 2 0 291.480 1.693 10 0 CDAERP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594944791 342980178 /nfs/dbraw/zinc/98/01/78/342980178.db2.gz CFVFZRSBNCIHKW-IEECTRCBSA-N 2 0 254.374 1.114 10 0 CDAERP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000594918393 342985979 /nfs/dbraw/zinc/98/59/79/342985979.db2.gz QXODPPVOHPFGGM-TUKIKUTGSA-N 2 0 280.412 1.791 10 0 CDAERP CSC[C@@H](CCO)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000594919896 342986700 /nfs/dbraw/zinc/98/67/00/342986700.db2.gz CZNXLSFCLJVZTM-GFCCVEGCSA-N 2 0 292.408 1.471 10 0 CDAERP C[C@@H](CSCCF)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000595017598 342995514 /nfs/dbraw/zinc/99/55/14/342995514.db2.gz KLJLBDLKVJMLLY-STQMWFEESA-N 2 0 277.453 1.303 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@]1(C)COc2ccccc2O1 ZINC000629512469 362124027 /nfs/dbraw/zinc/12/40/27/362124027.db2.gz BAJYLUHUAPYCHD-YWPYICTPSA-N 2 0 264.369 1.932 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000596057992 343222589 /nfs/dbraw/zinc/22/25/89/343222589.db2.gz ATJNJFZPWMDASS-LCGIIJARSA-N 2 0 294.439 1.896 10 0 CDAERP COC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595900159 343186586 /nfs/dbraw/zinc/18/65/86/343186586.db2.gz ABHAJYXPUHLQGB-YPMHNXCESA-N 2 0 254.374 1.260 10 0 CDAERP [NH3+]C1(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CCOCC1 ZINC000629520486 362134247 /nfs/dbraw/zinc/13/42/47/362134247.db2.gz LEDUUILGRYIXGS-HZSPNIEDSA-N 2 0 267.417 1.005 10 0 CDAERP OC[C@@H]1C[NH2+]C[C@H]1C1CC[NH+](Cc2ccsc2)CC1 ZINC000169789106 362135554 /nfs/dbraw/zinc/13/55/54/362135554.db2.gz WYHNSWMQSAOIGU-GJZGRUSLSA-N 2 0 280.437 1.788 10 0 CDAERP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)C1CCSCC1 ZINC000629521315 362135853 /nfs/dbraw/zinc/13/58/53/362135853.db2.gz PTILQPZPMAEBFL-LLVKDONJSA-N 2 0 258.431 1.616 10 0 CDAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cccc(-c2ccncc2)c1 ZINC000263203160 362249022 /nfs/dbraw/zinc/24/90/22/362249022.db2.gz JIPIXFLKFNLMBX-DLBZAZTESA-N 2 0 283.375 1.419 10 0 CDAERP C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000263262315 362405794 /nfs/dbraw/zinc/40/57/94/362405794.db2.gz RDZOCGPPYZMIKC-IPYPFGDCSA-N 2 0 265.401 1.201 10 0 CDAERP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)N[C@H]1CCC[NH+](C)C1 ZINC000606650541 345046267 /nfs/dbraw/zinc/04/62/67/345046267.db2.gz QMMWCYGIEFZUHD-UONOGXRCSA-N 2 0 282.432 1.062 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Cn1ccnc1 ZINC000072960359 345388492 /nfs/dbraw/zinc/38/84/92/345388492.db2.gz WKOJYAPOWJLLHW-CQSZACIVSA-N 2 0 278.400 1.654 10 0 CDAERP CC(C)[NH+]1CCC(N(C)C(=O)[C@@]2(C)CCC[NH2+]2)CC1 ZINC000079516920 362659799 /nfs/dbraw/zinc/65/97/99/362659799.db2.gz UUMGSZZCRWUSMC-OAHLLOKOSA-N 2 0 267.417 1.460 10 0 CDAERP CCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000617556051 345847707 /nfs/dbraw/zinc/84/77/07/345847707.db2.gz IULMMOCUFBWJIQ-MRXNPFEDSA-N 2 0 289.423 1.914 10 0 CDAERP CC[C@H](C(=O)N(CC)[C@@H]1CC[N@H+](C)C1)[NH+](CC)CC ZINC000617555318 345850759 /nfs/dbraw/zinc/85/07/59/345850759.db2.gz ULSGRIYSWSXIHA-ZIAGYGMSSA-N 2 0 269.433 1.659 10 0 CDAERP CC(C)[C@@]1(C)C[C@@H]1C(=O)NCCN(C)CCC[NH+](C)C ZINC000617764679 345960925 /nfs/dbraw/zinc/96/09/25/345960925.db2.gz BZMAZXHKUYDGPF-GDBMZVCRSA-N 2 0 283.460 1.668 10 0 CDAERP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623357350 346085044 /nfs/dbraw/zinc/08/50/44/346085044.db2.gz KBWMWDOYBDQRRM-JKSUJKDBSA-N 3 0 296.503 1.475 10 0 CDAERP C[C@H](CN1CCCC1=O)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623364160 346092197 /nfs/dbraw/zinc/09/21/97/346092197.db2.gz WGBKOTWLEAEQBD-OLZOCXBDSA-N 2 0 267.417 1.460 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)COCC2CC2)CC1(C)C ZINC000623387101 346120896 /nfs/dbraw/zinc/12/08/96/346120896.db2.gz JXJJVNRYQPIISE-ZIAGYGMSSA-N 2 0 270.417 1.236 10 0 CDAERP C[C@H]([C@H](C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)N1CCOCC1 ZINC000623406385 346209259 /nfs/dbraw/zinc/20/92/59/346209259.db2.gz WQCROMUKJRHDAH-ZNMIVQPWSA-N 2 0 283.460 1.558 10 0 CDAERP C[C@@H](C[C@](C)(O)C[NH3+])N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000085303241 179010955 /nfs/dbraw/zinc/01/09/55/179010955.db2.gz IFQIWJHFVUBQLB-KKUMJFAQSA-N 2 0 269.433 1.035 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000085369734 179039719 /nfs/dbraw/zinc/03/97/19/179039719.db2.gz PMQWWYKVYFBZMN-CABCVRRESA-N 2 0 281.444 1.837 10 0 CDAERP C[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000085371881 179041692 /nfs/dbraw/zinc/04/16/92/179041692.db2.gz PXUIQZAPMHPACA-JKSUJKDBSA-N 2 0 289.423 1.882 10 0 CDAERP CS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000085376815 179044617 /nfs/dbraw/zinc/04/46/17/179044617.db2.gz RPUDVVNILSDADW-UKRRQHHQSA-N 2 0 296.436 1.697 10 0 CDAERP CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)nc2)C1 ZINC000619903666 349958430 /nfs/dbraw/zinc/95/84/30/349958430.db2.gz FZFFIUQHLBHJGG-OAHLLOKOSA-N 2 0 290.411 1.357 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCOC[C@@H]2CCCO2)CC1(C)C ZINC000623420763 346421297 /nfs/dbraw/zinc/42/12/97/346421297.db2.gz OCJSRUOAISWTTO-KBPBESRZSA-N 2 0 270.417 1.644 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1Cn1c2c(nc1C1CC1)C[NH2+]CC2 ZINC000085568661 179095567 /nfs/dbraw/zinc/09/55/67/179095567.db2.gz XVUAXIRILYUNMB-CYBMUJFWSA-N 2 0 274.412 1.891 10 0 CDAERP C[N@H+](CCn1c2c(nc1C1CC1)C[NH2+]CC2)C1CC1 ZINC000085572184 179097183 /nfs/dbraw/zinc/09/71/83/179097183.db2.gz ZFMLBENMTMODJS-UHFFFAOYSA-N 2 0 260.385 1.500 10 0 CDAERP [NH3+]CC1(c2cnccn2)CC[NH+](Cc2ccccc2)CC1 ZINC000584636781 346511522 /nfs/dbraw/zinc/51/15/22/346511522.db2.gz CBGAQQWQEDFTBG-UHFFFAOYSA-N 2 0 282.391 1.969 10 0 CDAERP C1CC1c1nnc([C@H]2CCC[N@@H+](C3CC[NH2+]CC3)C2)[nH]1 ZINC000584615046 346499808 /nfs/dbraw/zinc/49/98/08/346499808.db2.gz HWYBAHVPFRGCQQ-LBPRGKRZSA-N 2 0 275.400 1.614 10 0 CDAERP C[NH+](C)CCN(CC[NH+](C)C)CC[N@H+](C)C1CCCCC1 ZINC000584614323 346500181 /nfs/dbraw/zinc/50/01/81/346500181.db2.gz BFTCNTFKDXYQOD-UHFFFAOYSA-N 3 0 298.519 1.676 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000227696767 346530532 /nfs/dbraw/zinc/53/05/32/346530532.db2.gz FQZDQDXFSGUEIV-GXTWGEPZSA-N 2 0 255.406 1.365 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000230711667 346555343 /nfs/dbraw/zinc/55/53/43/346555343.db2.gz HVDZXVSWYSZSFN-ZDUSSCGKSA-N 2 0 255.406 1.176 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1CCc2nc[nH]c2C1 ZINC000612304047 347105745 /nfs/dbraw/zinc/10/57/45/347105745.db2.gz LEFFJKRKTUNKPO-UEKVPHQBSA-N 2 0 288.395 1.114 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000417282845 482578398 /nfs/dbraw/zinc/57/83/98/482578398.db2.gz BMHZEULDJJJOEQ-RWMBFGLXSA-N 2 0 270.421 1.014 10 0 CDAERP CC[C@](CN)(C1CC1)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000086120782 179235171 /nfs/dbraw/zinc/23/51/71/179235171.db2.gz KFCMZAYQGVFUGO-HNNXBMFYSA-N 2 0 253.434 1.778 10 0 CDAERP CC(C)C[C@H]1CN(CC2CC[NH+](C)CC2)CC[NH2+]1 ZINC000086145675 179237388 /nfs/dbraw/zinc/23/73/88/179237388.db2.gz SNSAJAICOVHJFZ-HNNXBMFYSA-N 2 0 253.434 1.648 10 0 CDAERP C[C@H]1C[NH2+][C@H](Cc2ccccc2)CN1CCC[NH+](C)C ZINC000086153941 179241131 /nfs/dbraw/zinc/24/11/31/179241131.db2.gz MFSYEYRRQILDNJ-DOTOQJQBSA-N 2 0 275.440 1.843 10 0 CDAERP c1ccc([C@@H]2C[NH2+]CCN2[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC000086176988 179247023 /nfs/dbraw/zinc/24/70/23/179247023.db2.gz VSUOYTJBJWPOHA-DLBZAZTESA-N 2 0 271.408 1.727 10 0 CDAERP C[N@@H+]1CCC[C@@H](CN2CC[NH2+][C@](C)(C3CC3)C2)C1 ZINC000086145766 179239243 /nfs/dbraw/zinc/23/92/43/179239243.db2.gz OBLWODDEDLOXME-HIFRSBDPSA-N 2 0 251.418 1.402 10 0 CDAERP CC[C@@H]1CN([C@@H]2C[NH+]3CCC2CC3)[C@H](C(C)C)C[NH2+]1 ZINC000086182652 179247617 /nfs/dbraw/zinc/24/76/17/179247617.db2.gz WPEWYTNMQOSSOS-OWCLPIDISA-N 2 0 265.445 1.789 10 0 CDAERP CC[C@H]1C[NH2+][C@@H](C2CC2)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086259626 179257846 /nfs/dbraw/zinc/25/78/46/179257846.db2.gz PIDRQHLRXZCVSB-NUEKZKHPSA-N 2 0 263.429 1.686 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+][C@@H](CO)CC2CCC2)CC1(C)C ZINC000623511298 347611731 /nfs/dbraw/zinc/61/17/31/347611731.db2.gz JFDGIOJGHIFCPV-ZIAGYGMSSA-N 2 0 254.418 2.000 10 0 CDAERP CC(C)(CC[NH+]1CCCCCC1)NC(=O)NC/C=C\C[NH3+] ZINC000641867727 365952820 /nfs/dbraw/zinc/95/28/20/365952820.db2.gz VFMSBYLEDKKULJ-WAYWQWQTSA-N 2 0 296.459 1.845 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)Cc2cccc(C(N)=O)c2)[C@H](C)C1 ZINC000174778313 365958051 /nfs/dbraw/zinc/95/80/51/365958051.db2.gz HWQNNKQQSTYWEH-CJNGLKHVSA-N 2 0 289.423 1.948 10 0 CDAERP C[C@@H](CNC(=O)c1ccccc1OCC[NH+](C)C)[NH+](C)C ZINC000063732303 348930555 /nfs/dbraw/zinc/93/05/55/348930555.db2.gz AJDWHTIRNNETBD-ZDUSSCGKSA-N 2 0 293.411 1.307 10 0 CDAERP O=C([C@H]1C[NH2+]Cc2ccccc21)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000087617893 349249053 /nfs/dbraw/zinc/24/90/53/349249053.db2.gz HMZLXJCKTRQYKG-ZBFHGGJFSA-N 2 0 285.391 1.180 10 0 CDAERP C[C@H](C(=O)N(C)CC1C[NH+](C)C1)[NH+]1CCCCCC1 ZINC000618194223 349397648 /nfs/dbraw/zinc/39/76/48/349397648.db2.gz VFEHUYIFQZOOHB-CYBMUJFWSA-N 2 0 267.417 1.271 10 0 CDAERP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCOC1CCOCC1 ZINC000629537899 362954335 /nfs/dbraw/zinc/95/43/35/362954335.db2.gz RGDWOXVSMOPTNX-CYBMUJFWSA-N 2 0 256.390 1.160 10 0 CDAERP CC[C@@H]1CN(C(=O)C[N@H+](C)[C@@H]2CCSC2)C[C@H](C)[NH2+]1 ZINC000620901860 350371690 /nfs/dbraw/zinc/37/16/90/350371690.db2.gz AQZXKEIALSQCSZ-YNEHKIRRSA-N 2 0 285.457 1.023 10 0 CDAERP COC[C@@H]([NH2+]CCOCCC[NH3+])c1ccc(F)c(F)c1 ZINC000629539815 362958131 /nfs/dbraw/zinc/95/81/31/362958131.db2.gz REZUZYMLZGPCHP-CQSZACIVSA-N 2 0 288.338 1.607 10 0 CDAERP C[C@@H]([NH2+]CCOCCC[NH3+])c1cccc(CO)c1 ZINC000629535320 362960660 /nfs/dbraw/zinc/96/06/60/362960660.db2.gz CCLFSVHIPZCZLC-GFCCVEGCSA-N 2 0 252.358 1.195 10 0 CDAERP C[C@H]([NH2+]CCOCCC[NH3+])c1cccc(F)c1F ZINC000629541469 362964922 /nfs/dbraw/zinc/96/49/22/362964922.db2.gz ZZHYRYPOYHHLIN-JTQLQIEISA-N 2 0 258.312 1.981 10 0 CDAERP [NH3+][C@]12CCC[C@@H]1CN(C(=O)[C@@H]1C[C@@H]3CCCC[C@@H]3[NH2+]1)C2 ZINC000621683753 350715932 /nfs/dbraw/zinc/71/59/32/350715932.db2.gz APRJXHHXGXGJIF-RGHULWKBSA-N 2 0 277.412 1.247 10 0 CDAERP CCn1nccc1CC[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000621776857 350773242 /nfs/dbraw/zinc/77/32/42/350773242.db2.gz YKNBGJPUQBBPET-CABCVRRESA-N 2 0 276.428 1.767 10 0 CDAERP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H]1CCCCO1 ZINC000623893446 351321895 /nfs/dbraw/zinc/32/18/95/351321895.db2.gz QTFPWZGTKUNPFN-UXLLHSPISA-N 2 0 295.471 1.702 10 0 CDAERP C[C@H](C[NH2+][C@H](C)[C@@H]1CC1(C)C)CN1CC[NH+](C)CC1 ZINC000487324214 366040129 /nfs/dbraw/zinc/04/01/29/366040129.db2.gz TVXHCFAWIUWLPT-KFWWJZLASA-N 2 0 267.461 1.894 10 0 CDAERP O=C(N[C@@H]1CCCC[NH2+]C1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000333735551 363125368 /nfs/dbraw/zinc/12/53/68/363125368.db2.gz WWAYGGOVTHPFMN-CABCVRRESA-N 2 0 294.443 1.302 10 0 CDAERP CC[C@]1(C)CCC[N@@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000360425640 363214951 /nfs/dbraw/zinc/21/49/51/363214951.db2.gz DAKFISFZPUDDFH-CZUORRHYSA-N 2 0 295.427 1.188 10 0 CDAERP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CC2=CCCOC2)C1 ZINC000629650344 363250362 /nfs/dbraw/zinc/25/03/62/363250362.db2.gz RYBDESJOJNMHFE-OWCLPIDISA-N 2 0 280.412 1.694 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)C/C=C/c1ccccc1OC ZINC000629652194 363250595 /nfs/dbraw/zinc/25/05/95/363250595.db2.gz CJJGYEQSTWMKKP-SOFGYWHQSA-N 2 0 278.396 1.876 10 0 CDAERP C[N@@H+](Cc1ccccc1)C[C@@H](O)CN[C@@H]1CCC[NH+](C)C1 ZINC000644548173 366165972 /nfs/dbraw/zinc/16/59/72/366165972.db2.gz RUFDZHAKDXQVKF-SJORKVTESA-N 2 0 291.439 1.163 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000572640009 363436077 /nfs/dbraw/zinc/43/60/77/363436077.db2.gz PNKWVYJHNYBEBC-HZSPNIEDSA-N 2 0 267.417 1.365 10 0 CDAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3c2cnn3C)C1 ZINC000037644296 356510253 /nfs/dbraw/zinc/51/02/53/356510253.db2.gz RPFWZGYKLBSYQG-GXTWGEPZSA-N 2 0 262.401 1.729 10 0 CDAERP OCC[NH+]1CCC(C[NH2+]CCc2ccccc2)CC1 ZINC000069895066 356650104 /nfs/dbraw/zinc/65/01/04/356650104.db2.gz KUCRIKBMFZKDNB-UHFFFAOYSA-N 2 0 262.397 1.523 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000341054031 366344592 /nfs/dbraw/zinc/34/45/92/366344592.db2.gz KFCYOTCLTDMXPG-ZNMIVQPWSA-N 2 0 298.475 1.841 10 0 CDAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634768251 358512412 /nfs/dbraw/zinc/51/24/12/358512412.db2.gz CJSRYNIIICMDOB-AYDFFVQHSA-N 2 0 277.412 1.071 10 0 CDAERP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H](COC)OC)C1 ZINC000659975837 412650920 /nfs/dbraw/zinc/65/09/20/412650920.db2.gz PJJQJJXQAAVYBG-KGLIPLIRSA-N 2 0 258.406 1.312 10 0 CDAERP C[C@@H]([NH3+])CC[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000390153061 357802332 /nfs/dbraw/zinc/80/23/32/357802332.db2.gz VDFLNNNMHNPSDJ-CYBMUJFWSA-N 2 0 258.369 1.758 10 0 CDAERP C[N@H+](C[C@@H](O)COCc1ccccc1)C[C@@H]1CC[NH+](C)C1 ZINC000119375895 357936041 /nfs/dbraw/zinc/93/60/41/357936041.db2.gz UKQIRIGCXWYQAX-IAGOWNOFSA-N 2 0 292.423 1.448 10 0 CDAERP CC[C@H]1CC[N@@H+]1C[C@@H](O)CN(C)Cc1ccccc1 ZINC000644786798 358065116 /nfs/dbraw/zinc/06/51/16/358065116.db2.gz LJRAPWQJJVQCDB-HOTGVXAUSA-N 2 0 262.397 1.964 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000357913399 283333306 /nfs/dbraw/zinc/33/33/06/283333306.db2.gz NFMPQJRQLJZCAL-HZSPNIEDSA-N 2 0 299.484 1.365 10 0 CDAERP CCN(Cc1ccccc1)C(=O)CN(C)CCC[NH2+]C ZINC000127234925 358229366 /nfs/dbraw/zinc/22/93/66/358229366.db2.gz BORNIUMLBIRZQQ-UHFFFAOYSA-N 2 0 277.412 1.576 10 0 CDAERP CSCC[C@H]([NH3+])C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000573441562 358348683 /nfs/dbraw/zinc/34/86/83/358348683.db2.gz MKXFMJUUUHDOPO-MFKMUULPSA-N 2 0 281.425 1.403 10 0 CDAERP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cnc(C)o2)CC1 ZINC000628303083 358749872 /nfs/dbraw/zinc/74/98/72/358749872.db2.gz FTDFVUXCLJLSPK-UHFFFAOYSA-N 2 0 280.416 1.489 10 0 CDAERP CN(C(=O)[C@H]1CC12CC[NH2+]CC2)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000261901494 359083262 /nfs/dbraw/zinc/08/32/62/359083262.db2.gz DZZWNBLBGGEYGU-ZIAGYGMSSA-N 2 0 277.412 1.071 10 0 CDAERP C[C@H]1C[NH2+]CC[C@@H]1NCc1cncc(Br)c1 ZINC000335256365 359126097 /nfs/dbraw/zinc/12/60/97/359126097.db2.gz OSMDHKGKPKEXFB-CABZTGNLSA-N 2 0 284.201 1.932 10 0 CDAERP CCC[C@](C)([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000262156130 359141922 /nfs/dbraw/zinc/14/19/22/359141922.db2.gz SQGWAPYXBSIROA-YCPHGPKFSA-N 2 0 281.444 1.978 10 0 CDAERP CC[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262448482 359170212 /nfs/dbraw/zinc/17/02/12/359170212.db2.gz JIDFENZUBGNKTF-XQHKEYJVSA-N 2 0 253.390 1.021 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262468777 359172071 /nfs/dbraw/zinc/17/20/71/359172071.db2.gz WRYWTZBUCWHHIT-AJNGGQMLSA-N 2 0 281.444 1.611 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H]1C[NH+](C(C)C)C[C@@H]1C ZINC000119802728 359239492 /nfs/dbraw/zinc/23/94/92/359239492.db2.gz GXAXXXFGZFDADC-SOUVJXGZSA-N 2 0 298.475 1.745 10 0 CDAERP Clc1ccc2c(c1)nccc2N1CCNCC[NH2+]CC1 ZINC000029401696 359243057 /nfs/dbraw/zinc/24/30/57/359243057.db2.gz DKFANVNYJXWNNM-UHFFFAOYSA-N 3 0 290.798 1.887 10 0 CDAERP CC[C@@H]1C[N@H+](CC)CCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000456395096 363648444 /nfs/dbraw/zinc/64/84/44/363648444.db2.gz ZKECSMTYEDJDFJ-SOUVJXGZSA-N 2 0 281.444 1.659 10 0 CDAERP COCCC[N@H+](C)CCNC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000354071638 359507024 /nfs/dbraw/zinc/50/70/24/359507024.db2.gz LPDROLPJMBRFIE-HNNXBMFYSA-N 2 0 299.459 1.335 10 0 CDAERP C[C@@H](O)C[N@H+](Cc1ccccc1)C[C@]1(C)CC[NH2+]C1 ZINC000564975708 359551578 /nfs/dbraw/zinc/55/15/78/359551578.db2.gz MGQSCTQHGTXVMA-GDBMZVCRSA-N 2 0 262.397 1.869 10 0 CDAERP CC[NH2+]CCCNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000580429528 359614241 /nfs/dbraw/zinc/61/42/41/359614241.db2.gz NKVQHELEZVESRY-OLZOCXBDSA-N 2 0 255.406 1.400 10 0 CDAERP CN(C[C@H]1CCC[N@@H+]1C)C(=O)CC[C@H]1CCCC[NH+]1C ZINC000422143669 359601127 /nfs/dbraw/zinc/60/11/27/359601127.db2.gz YVJSIWHVYDWZSG-HUUCEWRRSA-N 2 0 281.444 1.804 10 0 CDAERP c1ccc(C[N@H+]2CCCC[C@@H]2CN[C@H]2CC[NH2+]C2)cc1 ZINC000379642792 359637825 /nfs/dbraw/zinc/63/78/25/359637825.db2.gz ZXUOSQVPUAMANT-DLBZAZTESA-N 2 0 273.424 1.993 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCn2ccnc2)[C@H](C)C1 ZINC000336705330 359739664 /nfs/dbraw/zinc/73/96/64/359739664.db2.gz JISRYAMMFFUVSW-KGLIPLIRSA-N 2 0 250.390 1.545 10 0 CDAERP COC[C@]1(C[NH2+][C@@H]2CCC[C@H]3C[C@]32C)CCC[NH2+]1 ZINC000423417988 359777223 /nfs/dbraw/zinc/77/72/23/359777223.db2.gz TWVGXUOJTOKERP-GBJTYRQASA-N 2 0 252.402 1.923 10 0 CDAERP CC(C)[NH2+]CCCNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000564189511 316431434 /nfs/dbraw/zinc/43/14/34/316431434.db2.gz VZDNTDCAMGXCHK-OAHLLOKOSA-N 2 0 282.432 1.160 10 0 CDAERP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423514922 359835900 /nfs/dbraw/zinc/83/59/00/359835900.db2.gz UOLJYUJHBQDJGI-RDHHWEPZSA-N 3 0 294.487 1.181 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCn2ccnc2C)[C@@H](C)C1 ZINC000336800882 359865807 /nfs/dbraw/zinc/86/58/07/359865807.db2.gz OAENJGSTWIGJHG-ZFWWWQNUSA-N 2 0 264.417 1.854 10 0 CDAERP C[C@H](Cc1ccc(O)cc1)[N@H+](C)C[C@H](O)CN(C)C1CC1 ZINC000336847880 359917250 /nfs/dbraw/zinc/91/72/50/359917250.db2.gz GQHVDVLWGFQVEG-DYVFJYSZSA-N 2 0 292.423 1.710 10 0 CDAERP C[C@@H](Cc1ccc(O)cc1)[N@H+](C)C[C@@H](O)CN(C)C1CC1 ZINC000336847882 359917574 /nfs/dbraw/zinc/91/75/74/359917574.db2.gz GQHVDVLWGFQVEG-SUMWQHHRSA-N 2 0 292.423 1.710 10 0 CDAERP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC000637865348 366652141 /nfs/dbraw/zinc/65/21/41/366652141.db2.gz YYLUAYBATATFHP-AWEZNQCLSA-N 2 0 281.444 1.694 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(C)C(=O)C2)[C@H](C)C1 ZINC000424326105 360007005 /nfs/dbraw/zinc/00/70/05/360007005.db2.gz NHVROFGANUEYGB-MCIONIFRSA-N 2 0 267.417 1.175 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2C)CC1 ZINC000121868715 360265222 /nfs/dbraw/zinc/26/52/22/360265222.db2.gz MDEGNIXRMVKLSD-YMAMQOFZSA-N 2 0 296.459 1.500 10 0 CDAERP CC[C@H](NC[C@H](O)C[NH+](C)C)c1cccc(OC)c1 ZINC000154269261 360330503 /nfs/dbraw/zinc/33/05/03/360330503.db2.gz JMZDABYSOCBHKM-ZFWWWQNUSA-N 2 0 266.385 1.658 10 0 CDAERP C[NH+](C)CCn1cccc1[C@H]([NH3+])c1ccc(O)cc1 ZINC000011848782 360347395 /nfs/dbraw/zinc/34/73/95/360347395.db2.gz VVBJRQFIFLDKJM-OAHLLOKOSA-N 2 0 259.353 1.803 10 0 CDAERP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000566483821 360464444 /nfs/dbraw/zinc/46/44/44/360464444.db2.gz YKAAKAOBUIVPDB-LEWSCRJBSA-N 2 0 264.417 1.827 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000335599586 360501198 /nfs/dbraw/zinc/50/11/98/360501198.db2.gz UHPIFBSYEWIPCA-CYBMUJFWSA-N 2 0 267.417 1.461 10 0 CDAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000335611427 360548037 /nfs/dbraw/zinc/54/80/37/360548037.db2.gz CAUMNIAWTFXKKS-UONOGXRCSA-N 2 0 296.459 1.500 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000626934166 360652690 /nfs/dbraw/zinc/65/26/90/360652690.db2.gz BYGRBNJSPYDKLQ-UHTWSYAYSA-N 2 0 296.440 1.400 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000626935701 360653304 /nfs/dbraw/zinc/65/33/04/360653304.db2.gz MVIIDQWBUHUYOD-SOUVJXGZSA-N 2 0 296.459 1.691 10 0 CDAERP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1O ZINC000634999047 360636409 /nfs/dbraw/zinc/63/64/09/360636409.db2.gz PERVFTYIXJVGSQ-ZYHUDNBSSA-N 2 0 250.342 1.427 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000626941514 360673330 /nfs/dbraw/zinc/67/33/30/360673330.db2.gz AXXGWWICOKTSSZ-HZSPNIEDSA-N 2 0 282.432 1.158 10 0 CDAERP C[C@@H](CNC(=O)N[C@H]1CC[NH2+]C12CCC2)C[NH+]1CCCC1 ZINC000626941951 360674294 /nfs/dbraw/zinc/67/42/94/360674294.db2.gz PJKXCQIRXFRKAS-KBPBESRZSA-N 2 0 294.443 1.302 10 0 CDAERP CC1(C)NC(=O)CC[C@H]1[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000643523874 361055155 /nfs/dbraw/zinc/05/51/55/361055155.db2.gz HCTPTLBTJWTUDC-CQSZACIVSA-N 2 0 273.380 1.437 10 0 CDAERP C[C@H](CCC[NH3+])NC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000519546251 361344944 /nfs/dbraw/zinc/34/49/44/361344944.db2.gz UHNMXDVFIZJUSR-IUODEOHRSA-N 2 0 290.411 1.382 10 0 CDAERP COCC[NH2+]C1CCN(CCOc2ccc(F)cc2)CC1 ZINC000566351061 370691073 /nfs/dbraw/zinc/69/10/73/370691073.db2.gz IQADQTDESHQKSO-UHFFFAOYSA-N 2 0 296.386 1.905 10 0 CDAERP CN(CC[NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000417938683 361426522 /nfs/dbraw/zinc/42/65/22/361426522.db2.gz JMQFXNVKDCKQAU-KGLIPLIRSA-N 2 0 276.384 1.032 10 0 CDAERP CCn1ccnc1CNC(=O)NC[C@H]1CCC[N@H+](CC)C1 ZINC000455289134 252388007 /nfs/dbraw/zinc/38/80/07/252388007.db2.gz CCUJRMXBGBOVOX-CYBMUJFWSA-N 2 0 293.415 1.434 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CC2CCC2)CC1 ZINC000173714255 364082910 /nfs/dbraw/zinc/08/29/10/364082910.db2.gz FMZRSWRLWWWTCJ-INIZCTEOSA-N 2 0 265.445 1.888 10 0 CDAERP C[C@@H](CNC(=O)NCC1([NH3+])CCCCCC1)[N@H+](C)C1CC1 ZINC000566550946 370761069 /nfs/dbraw/zinc/76/10/69/370761069.db2.gz PCJOIVPKIRJMRI-ZDUSSCGKSA-N 2 0 296.459 1.820 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN2C)[C@H]1SC ZINC000459389960 364220159 /nfs/dbraw/zinc/22/01/59/364220159.db2.gz RTOKFADOOXKFJC-WUHRBBMRSA-N 2 0 258.431 1.579 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCC1CC(O)C1 ZINC000566539671 370759166 /nfs/dbraw/zinc/75/91/66/370759166.db2.gz SJFSQGHEKLNRIK-UHFFFAOYSA-N 2 0 286.379 1.826 10 0 CDAERP [NH3+]C1(C(=O)N2CCC[C@H]([NH+]3CCCCC3)C2)CCCC1 ZINC000373039476 364565111 /nfs/dbraw/zinc/56/51/11/364565111.db2.gz GKJDQNIILXODQD-AWEZNQCLSA-N 2 0 279.428 1.735 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000105276340 364704518 /nfs/dbraw/zinc/70/45/18/364704518.db2.gz QYJHUZYDFMVHEY-GJZGRUSLSA-N 2 0 296.459 1.452 10 0 CDAERP Cc1nccn1CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000353501328 365260541 /nfs/dbraw/zinc/26/05/41/365260541.db2.gz ZCPAXARNHAWRPN-ZNMIVQPWSA-N 2 0 262.401 1.654 10 0 CDAERP C[C@H]([NH2+]CCc1ccc2c(c1)OCCO2)[C@@H]1CC[NH2+]C1 ZINC000400353486 366951651 /nfs/dbraw/zinc/95/16/51/366951651.db2.gz AITVYUDRDRXATC-GXTWGEPZSA-N 2 0 276.380 1.588 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCC[C@H](Cn2ccnn2)C1 ZINC000414706188 241340466 /nfs/dbraw/zinc/34/04/66/241340466.db2.gz LBVRFIKOPXUMAF-KBPBESRZSA-N 2 0 265.405 1.364 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000626965640 367100578 /nfs/dbraw/zinc/10/05/78/367100578.db2.gz JYUNQMRWVRBJFL-RWMBFGLXSA-N 2 0 270.421 1.156 10 0 CDAERP C[NH2+]C[C@@H](C)C[NH2+]Cc1cc(OC)c2c(c1)OCCO2 ZINC000414842637 367211957 /nfs/dbraw/zinc/21/19/57/367211957.db2.gz PGGRJNVDSWPUBU-LLVKDONJSA-N 2 0 280.368 1.412 10 0 CDAERP COc1cc(C)c(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c(C)n1 ZINC000575988771 317053218 /nfs/dbraw/zinc/05/32/18/317053218.db2.gz YREYQCDLLMLXDW-GHMZBOCLSA-N 2 0 251.374 1.922 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000232638037 367571235 /nfs/dbraw/zinc/57/12/35/367571235.db2.gz VCEJYSMCZBGTKW-CQSZACIVSA-N 2 0 281.444 1.565 10 0 CDAERP Cn1nccc1[C@@H]1CCCC[N@@H+]1CCn1ccnc1 ZINC000281351402 367625771 /nfs/dbraw/zinc/62/57/71/367625771.db2.gz KPDYUEMIGMXZOH-AWEZNQCLSA-N 2 0 259.357 1.844 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000417004059 242262484 /nfs/dbraw/zinc/26/24/84/242262484.db2.gz HQCFBLZCGYEGLU-JHJVBQTASA-N 2 0 270.421 1.014 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000417009985 242267589 /nfs/dbraw/zinc/26/75/89/242267589.db2.gz OGEDQHROPVWGIQ-CBBWQLFWSA-N 2 0 296.459 1.404 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627205819 367702534 /nfs/dbraw/zinc/70/25/34/367702534.db2.gz DVCRSSJIMSZOGB-HZSPNIEDSA-N 2 0 282.432 1.253 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)N(C)CC2CC[NH+](C)CC2)C[NH2+]1 ZINC000627195557 367682380 /nfs/dbraw/zinc/68/23/80/367682380.db2.gz CAWBOJPBFCZHKC-TZMCWYRMSA-N 2 0 282.432 1.110 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000627238184 367800859 /nfs/dbraw/zinc/80/08/59/367800859.db2.gz BHPFLJFPHWMXHC-BFHYXJOUSA-N 2 0 280.416 1.007 10 0 CDAERP CC(C)[NH+](C/C=C\C[N@@H+](C[C@@H](C)O)C(C)C)C[C@H](C)O ZINC000340148684 367993041 /nfs/dbraw/zinc/99/30/41/367993041.db2.gz AKBSJNGOPGODBR-CMKSSICZSA-N 2 0 286.460 1.725 10 0 CDAERP Cc1ccc(C[N@@H+](C)CCC(=O)N2CCN(C)CC2)o1 ZINC000283481869 368299727 /nfs/dbraw/zinc/29/97/27/368299727.db2.gz JEIXHVVSZZVOOO-UHFFFAOYSA-N 2 0 279.384 1.184 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)N(C)CC[NH+](C)C)cc1 ZINC000418499960 243147129 /nfs/dbraw/zinc/14/71/29/243147129.db2.gz ZADGAQTUCIBALS-LBPRGKRZSA-N 2 0 278.400 1.409 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)N[C@@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000418555056 243210271 /nfs/dbraw/zinc/21/02/71/243210271.db2.gz PAVKZKFZYZSKQZ-MGPQQGTHSA-N 2 0 282.432 1.110 10 0 CDAERP C[C@H](C[NH3+])C[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000414870279 368467372 /nfs/dbraw/zinc/46/73/72/368467372.db2.gz BYHHQRVJWOYEAS-SNVBAGLBSA-N 2 0 250.371 1.618 10 0 CDAERP C[C@@H](C[NH3+])C[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000414870278 368467396 /nfs/dbraw/zinc/46/73/96/368467396.db2.gz BYHHQRVJWOYEAS-JTQLQIEISA-N 2 0 250.371 1.618 10 0 CDAERP CC[C@@H]1C[N@H+](CC)CCN1C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000418587714 243243101 /nfs/dbraw/zinc/24/31/01/243243101.db2.gz HBHJGSMLWZRXHA-MCIONIFRSA-N 2 0 282.432 1.110 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)[C@@H](C)C1 ZINC000418619552 243284359 /nfs/dbraw/zinc/28/43/59/243284359.db2.gz PCSPGAXHUSNFBO-XQLPTFJDSA-N 2 0 296.459 1.356 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC000541854812 368686857 /nfs/dbraw/zinc/68/68/57/368686857.db2.gz MVOQLJWWOVLSPK-UHFFFAOYSA-N 2 0 292.427 1.756 10 0 CDAERP CC(C)n1ccc(C[C@@H](C)[NH2+]CC2([NH3+])CCC2)n1 ZINC000414882285 368738527 /nfs/dbraw/zinc/73/85/27/368738527.db2.gz TXMWGPRPKUEHFZ-GFCCVEGCSA-N 2 0 250.390 1.866 10 0 CDAERP C[NH+]1CCC(N[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000367617027 369200271 /nfs/dbraw/zinc/20/02/71/369200271.db2.gz PIIURKOFECWLPS-RBSFLKMASA-N 2 0 251.418 1.543 10 0 CDAERP C[C@H](CC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000571999559 294538369 /nfs/dbraw/zinc/53/83/69/294538369.db2.gz JCCLNLDRMMEKJI-YIYPIFLZSA-N 2 0 267.417 1.126 10 0 CDAERP c1cnn(C2CC([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)c1 ZINC000638376437 369567889 /nfs/dbraw/zinc/56/78/89/369567889.db2.gz KOPKKVMSBJDTAD-JLVJUDLZSA-N 2 0 260.385 1.803 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCn2cccn2)[C@H](C)C1 ZINC000081097031 369932627 /nfs/dbraw/zinc/93/26/27/369932627.db2.gz JPDULNMHIBFYDP-ZIAGYGMSSA-N 2 0 250.390 1.545 10 0 CDAERP CN(C(=O)CCCC[NH+](C)C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000565864325 370551658 /nfs/dbraw/zinc/55/16/58/370551658.db2.gz NACSQGSXSASXLA-AWEZNQCLSA-N 2 0 267.417 1.413 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000422721460 245176706 /nfs/dbraw/zinc/17/67/06/245176706.db2.gz VMGMRYURMJDQAF-ZIAGYGMSSA-N 2 0 291.395 1.135 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@H](CCC[NH3+])COC)CC1 ZINC000422746176 245207168 /nfs/dbraw/zinc/20/71/68/245207168.db2.gz WCMYVAWPEUVEGF-OAHLLOKOSA-N 3 0 271.449 1.452 10 0 CDAERP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1cnccc1N ZINC000422746232 245208413 /nfs/dbraw/zinc/20/84/13/245208413.db2.gz WFMWMMXGJTTZLJ-GFCCVEGCSA-N 2 0 262.401 1.877 10 0 CDAERP CC[C@@H](Cn1cncn1)[NH2+]C[C@H]1N(C)CCCC1(C)C ZINC000340498028 371169379 /nfs/dbraw/zinc/16/93/79/371169379.db2.gz IWWWEUSAJIXQBQ-UONOGXRCSA-N 2 0 279.432 1.767 10 0 CDAERP CC[NH+]1CCC(CC[NH2+]C[C@H](O)COC(C)C)CC1 ZINC000567891593 371185561 /nfs/dbraw/zinc/18/55/61/371185561.db2.gz LHDDUJJADWWOGY-HNNXBMFYSA-N 2 0 272.433 1.484 10 0 CDAERP [NH3+]C1CCC(OCC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000645561144 372086286 /nfs/dbraw/zinc/08/62/86/372086286.db2.gz JWUBAVKAPCYIKY-RAFNIBEQSA-N 2 0 295.427 1.016 10 0 CDAERP FC1(F)CC[NH2+]C[C@@H]1N[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423483474 294720385 /nfs/dbraw/zinc/72/03/85/294720385.db2.gz QAUCZASSUODUAQ-FQUUOJAGSA-N 2 0 287.398 1.884 10 0 CDAERP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)[NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000175317298 372662215 /nfs/dbraw/zinc/66/22/15/372662215.db2.gz MKNNCJVVVRKYKT-BARDWOONSA-N 2 0 281.444 1.706 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCOCCOC)[C@H](C)C1 ZINC000175724768 372692298 /nfs/dbraw/zinc/69/22/98/372692298.db2.gz LAPIYYWDNCZOKY-ZIAGYGMSSA-N 2 0 258.406 1.312 10 0 CDAERP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000580842988 372713980 /nfs/dbraw/zinc/71/39/80/372713980.db2.gz WGIGJUOTIOJYAQ-ZIAGYGMSSA-N 2 0 281.444 1.517 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N(C)C[C@@H]1CCC[NH+]1CC ZINC000176438332 372734475 /nfs/dbraw/zinc/73/44/75/372734475.db2.gz JFSXBHUYOOBWEJ-HNNXBMFYSA-N 2 0 298.475 1.844 10 0 CDAERP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000261813356 284351940 /nfs/dbraw/zinc/35/19/40/284351940.db2.gz NOIIYRZDSGRPTF-MGPQQGTHSA-N 2 0 267.417 1.162 10 0 CDAERP COC(=O)[C@@H]1CSCCN(C[C@H]([NH3+])CC(C)C)C1 ZINC000415144931 372862477 /nfs/dbraw/zinc/86/24/77/372862477.db2.gz VWZNZCZIHCADGT-NWDGAFQWSA-N 2 0 274.430 1.198 10 0 CDAERP C[C@H]1C[C@@H](N(C)C(=O)NCCC[NH+]2CCCC2)CC[N@@H+]1C ZINC000340995669 373150057 /nfs/dbraw/zinc/15/00/57/373150057.db2.gz RGUHFSYBRQGNRX-GJZGRUSLSA-N 2 0 296.459 1.596 10 0 CDAERP CC(C)(CNC(=O)N[C@H]1CCCC[NH2+]C1)C[NH+]1CCCC1 ZINC000333617599 205507436 /nfs/dbraw/zinc/50/74/36/205507436.db2.gz RFFDSBJDSMQROR-AWEZNQCLSA-N 2 0 296.459 1.550 10 0 CDAERP COCCN(C)C[C@@H](O)C[N@H+](C)C[C@H](C)C(C)(C)C ZINC000399537563 373559748 /nfs/dbraw/zinc/55/97/48/373559748.db2.gz XDUBHVUJFSFWFW-UONOGXRCSA-N 2 0 274.449 1.540 10 0 CDAERP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@@H]1CCc2ncnn21 ZINC000631821597 373701408 /nfs/dbraw/zinc/70/14/08/373701408.db2.gz CQRHKANKBYORDI-NWDGAFQWSA-N 2 0 251.378 1.071 10 0 CDAERP C[C@H](C(=O)N1CCCCCC1)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631841512 373831824 /nfs/dbraw/zinc/83/18/24/373831824.db2.gz LLBPPLOPFLAUAU-MCIONIFRSA-N 2 0 267.417 1.304 10 0 CDAERP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000418543795 374405604 /nfs/dbraw/zinc/40/56/04/374405604.db2.gz HALGEGSNELFXBS-IPYPFGDCSA-N 2 0 296.459 1.356 10 0 CDAERP CCC[C@H]1C[NH2+]CCN1C(=O)N[C@H](C)c1nccn1C ZINC000659628209 541960175 /nfs/dbraw/zinc/96/01/75/541960175.db2.gz MXHSIEDIFBYSKD-NEPJUHHUSA-N 2 0 279.388 1.265 10 0 CDAERP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CC(C)(C)C)CC2)C1 ZINC000121071881 374619084 /nfs/dbraw/zinc/61/90/84/374619084.db2.gz RASDWNLPYCXOMW-MRXNPFEDSA-N 2 0 297.487 1.759 10 0 CDAERP C[C@H]1C[N@H+](C)C[C@@H]1NCCC[NH+]1CCC(C)CC1 ZINC000343078274 374894147 /nfs/dbraw/zinc/89/41/47/374894147.db2.gz DNXVKZUSWFSFGX-GJZGRUSLSA-N 2 0 253.434 1.648 10 0 CDAERP O=C(C[C@H]1CC[NH2+]C1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000130826801 375341777 /nfs/dbraw/zinc/34/17/77/375341777.db2.gz KJIJZYSUGLUGRB-HUUCEWRRSA-N 2 0 279.428 1.463 10 0 CDAERP C[C@@H]1C[N@H+](C)CC[C@]12C[NH+]=C(N)N2Cc1ccccc1 ZINC000306935266 375805100 /nfs/dbraw/zinc/80/51/00/375805100.db2.gz GZKIFEOCAJBBOP-CJNGLKHVSA-N 2 0 272.396 1.527 10 0 CDAERP CC(=O)Nc1cccc(C[NH2+]CCc2cn(C)cn2)c1 ZINC000631155585 375978626 /nfs/dbraw/zinc/97/86/26/375978626.db2.gz GHUKCWFXDYEPNW-UHFFFAOYSA-N 2 0 272.352 1.711 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1C[C@@H](CO)C1 ZINC000631198436 376002465 /nfs/dbraw/zinc/00/24/65/376002465.db2.gz QNBYJYFQEULMIM-XBXGTLAGSA-N 2 0 272.352 1.436 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000638974969 376315532 /nfs/dbraw/zinc/31/55/32/376315532.db2.gz FKSOINFHAMQJSB-GFCCVEGCSA-N 2 0 269.433 1.693 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)CC[NH2+]C(C)C)CC1 ZINC000638976397 376325348 /nfs/dbraw/zinc/32/53/48/376325348.db2.gz YZDFJFNAARLRDS-UHFFFAOYSA-N 2 0 269.433 1.707 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])CC1 ZINC000638981888 376346162 /nfs/dbraw/zinc/34/61/62/376346162.db2.gz YFQODFPWGJQZPF-KGLIPLIRSA-N 2 0 283.460 1.939 10 0 CDAERP CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H](C)[C@@H](C)[NH3+])c1 ZINC000417414021 377019366 /nfs/dbraw/zinc/01/93/66/377019366.db2.gz YAYUTDAHCJOVTB-OLZOCXBDSA-N 2 0 292.427 1.673 10 0 CDAERP CCCCOC[C@H](O)C[N@@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000248653789 377298012 /nfs/dbraw/zinc/29/80/12/377298012.db2.gz OTQCFBHOGCMVLQ-BZUAXINKSA-N 2 0 295.427 1.944 10 0 CDAERP CCC[C@H](C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)[NH+](C)C ZINC000161703420 377743290 /nfs/dbraw/zinc/74/32/90/377743290.db2.gz HXRNAKAKUGBUOZ-GXTWGEPZSA-N 2 0 267.417 1.317 10 0 CDAERP CCC[C@H](C(=O)N1CCC[C@@H]([NH+](C)C)C1)[NH+](C)C ZINC000161966361 377808668 /nfs/dbraw/zinc/80/86/68/377808668.db2.gz OQCRPHSEKMZKBS-CHWSQXEVSA-N 2 0 255.406 1.269 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000417527615 377838792 /nfs/dbraw/zinc/83/87/92/377838792.db2.gz DONGZRBQDQRPKT-MBNYWOFBSA-N 2 0 282.432 1.286 10 0 CDAERP C[C@@H]1CN(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)[C@@H](C)C[NH2+]1 ZINC000417540266 377922224 /nfs/dbraw/zinc/92/22/24/377922224.db2.gz WRBVAMIULHVENS-TUVASFSCSA-N 2 0 296.459 1.641 10 0 CDAERP Cc1ncc(C[NH2+]CC2CC[NH+](C[C@@H](C)O)CC2)s1 ZINC000069437001 378089175 /nfs/dbraw/zinc/08/91/75/378089175.db2.gz ORQXRTKWGXWJHX-LLVKDONJSA-N 2 0 283.441 1.634 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)CC[C@@H](C)[NH3+])C1 ZINC000193305832 378289587 /nfs/dbraw/zinc/28/95/87/378289587.db2.gz LYCHMFBCTWORQA-OLZOCXBDSA-N 2 0 255.406 1.350 10 0 CDAERP CC[C@@H](C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1)OC ZINC000662326537 412896399 /nfs/dbraw/zinc/89/63/99/412896399.db2.gz VQMRVXYMTTZMHL-KBPBESRZSA-N 2 0 258.406 1.454 10 0 CDAERP COc1ccc([C@H](C[NH3+])CN2CC[C@@H](F)[C@H]([NH3+])C2)cc1 ZINC000662326380 412897186 /nfs/dbraw/zinc/89/71/86/412897186.db2.gz SOSFYNUJVBIBLC-BPLDGKMQSA-N 2 0 281.375 1.109 10 0 CDAERP CC[NH+](CC)CC(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000634119935 379058320 /nfs/dbraw/zinc/05/83/20/379058320.db2.gz CUCJTZJVSGPMGN-UHFFFAOYSA-N 2 0 269.433 1.661 10 0 CDAERP COC1([C@H](C)[NH2+]CCC2CC[NH+](C)CC2)CCOCC1 ZINC000453110607 284747322 /nfs/dbraw/zinc/74/73/22/284747322.db2.gz QOIJCKHRMMMWGS-AWEZNQCLSA-N 2 0 284.444 1.892 10 0 CDAERP CC[C@@H]1C[C@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)CO1 ZINC000657572619 412904203 /nfs/dbraw/zinc/90/42/03/412904203.db2.gz DAAWTDXKKAZHGF-SOUVJXGZSA-N 2 0 271.449 1.416 10 0 CDAERP Cc1n[nH]cc1C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000657572650 412904466 /nfs/dbraw/zinc/90/44/66/412904466.db2.gz AFEAGENMTBQLQS-LBPRGKRZSA-N 2 0 267.421 1.080 10 0 CDAERP COC[C@H]([NH2+]CCCC[NH+](C)C)C1CCOCC1 ZINC000446841344 250319301 /nfs/dbraw/zinc/31/93/01/250319301.db2.gz ORLDOMQRIZZEBW-AWEZNQCLSA-N 2 0 258.406 1.359 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655909728 412913048 /nfs/dbraw/zinc/91/30/48/412913048.db2.gz DVZYZOHIBQNXHM-JTQLQIEISA-N 2 0 296.337 1.048 10 0 CDAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cc[nH]c3)cc2)C1 ZINC000657594994 412923123 /nfs/dbraw/zinc/92/31/23/412923123.db2.gz MCXXPXAKDGDWCV-KRWDZBQOSA-N 2 0 285.391 1.871 10 0 CDAERP CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655923502 412927349 /nfs/dbraw/zinc/92/73/49/412927349.db2.gz ZJHXUGKFKUGESO-NXEZZACHSA-N 2 0 296.337 1.050 10 0 CDAERP CCCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001662648818 1172574579 /nfs/dbraw/zinc/57/45/79/1172574579.db2.gz AYFKXYRQZQWZFJ-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP COCCC[C@@H](C)[NH2+]C[C@@H]1CCCN1CCOC ZINC000178563091 140005938 /nfs/dbraw/zinc/00/59/38/140005938.db2.gz HBTZMOBHIUCZCR-KGLIPLIRSA-N 2 0 258.406 1.502 10 0 CDAERP C1CC2(C1)C[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CO2 ZINC000657630257 412953834 /nfs/dbraw/zinc/95/38/34/412953834.db2.gz AFGOQDCMYOEXSS-HZSPNIEDSA-N 2 0 250.386 1.914 10 0 CDAERP CCn1ccnc1CNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000452570116 252098099 /nfs/dbraw/zinc/09/80/99/252098099.db2.gz IYRCLVCCYZPCJZ-CYBMUJFWSA-N 2 0 278.400 1.784 10 0 CDAERP C[NH2+][C@@](C)(CO)CCC[NH+]1CCC(COC)CC1 ZINC000085211797 184605292 /nfs/dbraw/zinc/60/52/92/184605292.db2.gz ADJGTIMRLBULSS-CQSZACIVSA-N 2 0 258.406 1.095 10 0 CDAERP COC[C@H](C[NH+]1CCC(CCC[NH+](C)C)CC1)OC ZINC000660159943 412967684 /nfs/dbraw/zinc/96/76/84/412967684.db2.gz ZFGCFIHPNLDVEM-HNNXBMFYSA-N 2 0 272.433 1.702 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CC ZINC001662929729 1172617044 /nfs/dbraw/zinc/61/70/44/1172617044.db2.gz AUUDJPVUMXDEER-CHWSQXEVSA-N 2 0 255.406 1.365 10 0 CDAERP CCn1nncc1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000459369791 252692309 /nfs/dbraw/zinc/69/23/09/252692309.db2.gz IDOPYCFEYHIWNT-UHFFFAOYSA-N 2 0 279.432 1.852 10 0 CDAERP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000655969920 412983480 /nfs/dbraw/zinc/98/34/80/412983480.db2.gz DENJAHQBVVUXSQ-XDQVBPFNSA-N 2 0 282.432 1.095 10 0 CDAERP CN(C)c1ccncc1C[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000657703875 412990335 /nfs/dbraw/zinc/99/03/35/412990335.db2.gz CKWKXRHRSOHHMZ-KGLIPLIRSA-N 2 0 261.369 1.541 10 0 CDAERP O[C@@H]1C[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C12CCC2 ZINC000657710862 412996903 /nfs/dbraw/zinc/99/69/03/412996903.db2.gz YAMBEZYDRBWFOL-LSDHHAIUSA-N 2 0 284.363 1.660 10 0 CDAERP C[NH+]1CCC(CNC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000664001816 413011082 /nfs/dbraw/zinc/01/10/82/413011082.db2.gz AOCIVDNTYHNJFB-AWEZNQCLSA-N 2 0 296.459 1.500 10 0 CDAERP COC[C@H](C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)OC ZINC000660257251 413019818 /nfs/dbraw/zinc/01/98/18/413019818.db2.gz QTJSBRCBDWEKQV-YCPHGPKFSA-N 2 0 284.444 1.890 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000335285942 285266383 /nfs/dbraw/zinc/26/63/83/285266383.db2.gz VOEYKRRCPJAMGL-HOCLYGCPSA-N 2 0 294.443 1.256 10 0 CDAERP CCc1nccn1[C@H](C)CC(=O)N(C)C1(C[NH3+])CCC1 ZINC000648147435 390228971 /nfs/dbraw/zinc/22/89/71/390228971.db2.gz YNSILGIOHFOVRH-GFCCVEGCSA-N 2 0 278.400 1.736 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000246962347 390233774 /nfs/dbraw/zinc/23/37/74/390233774.db2.gz OKESSIWFESILSB-LSDHHAIUSA-N 2 0 279.428 1.556 10 0 CDAERP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000646944072 390304737 /nfs/dbraw/zinc/30/47/37/390304737.db2.gz ZNTYSASKAZUPCV-UPJWGTAASA-N 2 0 267.417 1.316 10 0 CDAERP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H]([NH3+])[C@@H]2C)o1 ZINC000647044453 390375351 /nfs/dbraw/zinc/37/53/51/390375351.db2.gz CNJBRKOYVCIDAN-AAEUAGOBSA-N 2 0 279.384 1.683 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000647058512 390383811 /nfs/dbraw/zinc/38/38/11/390383811.db2.gz NWNQQKPZQSYDFS-AVGNSLFASA-N 2 0 271.380 1.067 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000418354507 285388134 /nfs/dbraw/zinc/38/81/34/285388134.db2.gz WLMNBBIYTNQXOY-KFWWJZLASA-N 2 0 296.459 1.358 10 0 CDAERP Cc1c(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cnn1C ZINC000367537046 390859621 /nfs/dbraw/zinc/85/96/21/390859621.db2.gz BFORDQDTUKMEKP-RRFJBIMHSA-N 2 0 262.401 1.691 10 0 CDAERP C[C@H](CC(N)=O)[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647344190 390943730 /nfs/dbraw/zinc/94/37/30/390943730.db2.gz LITOKADQPUHZPN-YUELXQCFSA-N 2 0 275.396 1.185 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N[C@H]2CC[NH2+]C23CCCC3)cc1 ZINC000648205379 390951565 /nfs/dbraw/zinc/95/15/65/390951565.db2.gz DDYVGFKRDQBMBH-AWEZNQCLSA-N 2 0 273.380 1.550 10 0 CDAERP [NH3+][C@@H](CC(=O)N[C@@H]1CC[NH2+]C12CCCC2)c1ccccc1 ZINC000648210312 390952919 /nfs/dbraw/zinc/95/29/19/390952919.db2.gz PFPVELCFGCINOU-LSDHHAIUSA-N 2 0 287.407 1.867 10 0 CDAERP CC[C@]1(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH2+]C1 ZINC000363511739 390928010 /nfs/dbraw/zinc/92/80/10/390928010.db2.gz OLSIAMJDBSLHEF-YDHLFZDLSA-N 2 0 267.417 1.317 10 0 CDAERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC2(F)CC2)C1 ZINC000527511002 391026926 /nfs/dbraw/zinc/02/69/26/391026926.db2.gz IQHHTDOEDJUZPU-CYBMUJFWSA-N 2 0 258.381 1.921 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000404930686 390967507 /nfs/dbraw/zinc/96/75/07/390967507.db2.gz MDFBJWMSQRHQRS-OLZOCXBDSA-N 2 0 255.406 1.303 10 0 CDAERP C[C@@]1(CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)CC[NH2+]C1 ZINC000647513981 390980639 /nfs/dbraw/zinc/98/06/39/390980639.db2.gz ZQYNXSDTAMSYKB-JKSUJKDBSA-N 2 0 281.444 1.173 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCc2ccccc2[C@@H]1C[NH3+] ZINC000647553051 391002393 /nfs/dbraw/zinc/00/23/93/391002393.db2.gz XJEUZTONSDFIBV-HOCLYGCPSA-N 2 0 261.413 1.918 10 0 CDAERP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000417786858 391063381 /nfs/dbraw/zinc/06/33/81/391063381.db2.gz DGWGYODZHXMHEK-YNEHKIRRSA-N 2 0 267.417 1.350 10 0 CDAERP Cc1nnc(CN2CCC[C@H](c3ncc[nH]3)C2)n1C ZINC000407950693 391087010 /nfs/dbraw/zinc/08/70/10/391087010.db2.gz GGJNIWIYOASXRS-NSHDSACASA-N 2 0 260.345 1.226 10 0 CDAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCCCCC[NH3+] ZINC000094460009 391144967 /nfs/dbraw/zinc/14/49/67/391144967.db2.gz BFAXRZWLNIHSCO-UONOGXRCSA-N 2 0 267.417 1.591 10 0 CDAERP O=C(CC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)NC1CCCC1 ZINC000647901663 391198764 /nfs/dbraw/zinc/19/87/64/391198764.db2.gz SLRPQCMDXNLWHG-GDBMZVCRSA-N 2 0 293.455 1.899 10 0 CDAERP C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)[C@@H]1CC[NH2+]C1 ZINC000647903511 391200768 /nfs/dbraw/zinc/20/07/68/391200768.db2.gz KXTFIEJOTFOLHJ-KKUMJFAQSA-N 3 0 251.418 1.450 10 0 CDAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCCC[NH3+] ZINC000418019528 391326231 /nfs/dbraw/zinc/32/62/31/391326231.db2.gz XOPJISXSHZWBJW-DZGCQCFKSA-N 2 0 290.411 1.155 10 0 CDAERP Nc1cc[nH+]cc1C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000648105124 391338848 /nfs/dbraw/zinc/33/88/48/391338848.db2.gz YAPRMINRBHIYOE-SMDDNHRTSA-N 2 0 274.368 1.098 10 0 CDAERP C[C@H](NC(=O)NC[C@H]([NH3+])c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000418340111 391341975 /nfs/dbraw/zinc/34/19/75/391341975.db2.gz LDXFNNXXCQDIAY-QEJZJMRPSA-N 2 0 290.411 1.374 10 0 CDAERP Fc1ccc(N2CC[C@H](N[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000335166664 391353591 /nfs/dbraw/zinc/35/35/91/391353591.db2.gz ABPPWPAQQBFECQ-KGLIPLIRSA-N 2 0 263.360 1.746 10 0 CDAERP C[C@H]([NH3+])C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000178406981 391359533 /nfs/dbraw/zinc/35/95/33/391359533.db2.gz ISOWHKFBDLPYAA-MXAVVETBSA-N 2 0 279.428 1.493 10 0 CDAERP CC[C@H](O)CCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353629876 391398367 /nfs/dbraw/zinc/39/83/67/391398367.db2.gz GLFIYUVZCRHQNA-YJNKXOJESA-N 2 0 254.418 2.000 10 0 CDAERP CCCC[C@@H](C[NH3+])NC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000418438918 391511164 /nfs/dbraw/zinc/51/11/64/391511164.db2.gz FIVFIYJBNIMXSI-JSGCOSHPSA-N 2 0 282.432 1.382 10 0 CDAERP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CC1COC1 ZINC000528027402 391585456 /nfs/dbraw/zinc/58/54/56/391585456.db2.gz SIUDTTLMFMVZCQ-CJNGLKHVSA-N 2 0 275.396 1.528 10 0 CDAERP C[NH2+]CCCNC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000417537561 391646074 /nfs/dbraw/zinc/64/60/74/391646074.db2.gz SSIOLXFPANSORJ-STQMWFEESA-N 2 0 270.421 1.158 10 0 CDAERP C[NH2+]CCc1ccccc1C(=O)N1CCC([NH2+]C)CC1 ZINC000647796721 391647997 /nfs/dbraw/zinc/64/79/97/391647997.db2.gz LCUIGRPPCAPOAG-UHFFFAOYSA-N 2 0 275.396 1.273 10 0 CDAERP COC[C@H](C)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000527365825 391654265 /nfs/dbraw/zinc/65/42/65/391654265.db2.gz BHXQBFVLFNKYOL-LXTVHRRPSA-N 2 0 270.417 1.452 10 0 CDAERP CC(C)n1ccc(C[C@@H](C)[NH2+][C@H]2CC[NH2+]C[C@@H]2C)n1 ZINC000414935303 391656695 /nfs/dbraw/zinc/65/66/95/391656695.db2.gz FSQCYPMKNMSHPY-GUTXKFCHSA-N 2 0 264.417 1.983 10 0 CDAERP C[C@@H]1C[N@@H+]([C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C[C@@]1(C)C[NH3+] ZINC000415062069 391740303 /nfs/dbraw/zinc/74/03/03/391740303.db2.gz XVZGKESYCYHIBM-IBEHDNSVSA-N 3 0 265.445 1.824 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NCc1cc2c(cc1OC(F)F)OCO2 ZINC000415014766 391724040 /nfs/dbraw/zinc/72/40/40/391724040.db2.gz XKKQFZHXMUAUDQ-SFYZADRCSA-N 2 0 288.294 1.842 10 0 CDAERP C[C@@H](C[NH2+]C[C@H]1C[NH2+]CCCO1)Cc1ccccc1 ZINC000415028805 391729160 /nfs/dbraw/zinc/72/91/60/391729160.db2.gz AFMDFXAIJDBMSJ-GDBMZVCRSA-N 2 0 262.397 1.833 10 0 CDAERP CC[C@H](C)[N@H+](C)CCN[C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261908856 391729239 /nfs/dbraw/zinc/72/92/39/391729239.db2.gz IQRZPWQIDPHMSX-ZJIFWQFVSA-N 2 0 283.460 1.463 10 0 CDAERP C[C@@H]1CN(Cc2cccc3c2OCO3)C[C@@]1(C)C[NH3+] ZINC000415056458 391737713 /nfs/dbraw/zinc/73/77/13/391737713.db2.gz QIDNTRLFYPJZKQ-IAQYHMDHSA-N 2 0 262.353 1.832 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000418197340 391798171 /nfs/dbraw/zinc/79/81/71/391798171.db2.gz JEXOSUAQPSXPJS-MELADBBJSA-N 2 0 284.448 1.404 10 0 CDAERP O=C1[C@@H]([NH+]2CCC3(CC[NH2+]C3)CC2)CCN1c1ccccc1 ZINC000336127654 391858812 /nfs/dbraw/zinc/85/88/12/391858812.db2.gz ICILIZNYZUTVJX-INIZCTEOSA-N 2 0 299.418 1.867 10 0 CDAERP CC[C@H]1C[N@H+](C)CCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000646051882 391945046 /nfs/dbraw/zinc/94/50/46/391945046.db2.gz QFHWOINIDLNFPP-KKUMJFAQSA-N 2 0 281.444 1.659 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCc2ccnn2C)[C@@H](C)C1 ZINC000336805905 392087919 /nfs/dbraw/zinc/08/79/19/392087919.db2.gz VQSVKXZLJGADBM-ZFWWWQNUSA-N 2 0 264.417 1.625 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000261821512 392022498 /nfs/dbraw/zinc/02/24/98/392022498.db2.gz YABJOINDKVREQO-UHFFFAOYSA-N 2 0 277.412 1.357 10 0 CDAERP CN(C(=O)[C@H]1CC12CC[NH2+]CC2)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000261901493 392026118 /nfs/dbraw/zinc/02/61/18/392026118.db2.gz DZZWNBLBGGEYGU-UONOGXRCSA-N 2 0 277.412 1.071 10 0 CDAERP CCCCOC[C@H](O)C[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000195181290 392056102 /nfs/dbraw/zinc/05/61/02/392056102.db2.gz OGKKQWFGABQHNC-HUUCEWRRSA-N 2 0 272.433 1.438 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC[NH+](C)C2CC2)[C@H](C)C1 ZINC000448526329 392229319 /nfs/dbraw/zinc/22/93/19/392229319.db2.gz ZBJRMMQNIAJYER-UKRRQHHQSA-N 2 0 296.459 1.452 10 0 CDAERP [NH3+]C1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000250871056 392232377 /nfs/dbraw/zinc/23/23/77/392232377.db2.gz SMHFMGOSEUIVAW-DQRRXLOISA-N 2 0 265.401 1.293 10 0 CDAERP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CC[C@H](OC)C2)CC[NH2+]CC1 ZINC000423076762 392321605 /nfs/dbraw/zinc/32/16/05/392321605.db2.gz ZQJMVEOXAWGZCW-MJBXVCDLSA-N 2 0 298.427 1.465 10 0 CDAERP CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@H](CCC[NH3+])COC)[nH]1 ZINC000423079672 392325121 /nfs/dbraw/zinc/32/51/21/392325121.db2.gz REOMIAIAOBOUSG-QJPTWQEYSA-N 2 0 283.420 1.723 10 0 CDAERP C[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1c[nH+]ccc1N ZINC000423079019 392325987 /nfs/dbraw/zinc/32/59/87/392325987.db2.gz XGKSIVHTZAFEOW-KGLIPLIRSA-N 2 0 292.427 1.646 10 0 CDAERP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000237908975 131064680 /nfs/dbraw/zinc/06/46/80/131064680.db2.gz LMNNKAZWDWCYSX-UONOGXRCSA-N 2 0 291.395 1.675 10 0 CDAERP C(CC[NH2+][C@@H](C1CC1)[C@@H]1CNCCO1)CC[NH+]1CCCC1 ZINC000423131992 392369990 /nfs/dbraw/zinc/36/99/90/392369990.db2.gz IOHUYKXRDBCLMI-IRXDYDNUSA-N 2 0 295.471 1.609 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@]1(CO)C[C@H]1c1ccccc1 ZINC000423131175 392370293 /nfs/dbraw/zinc/37/02/93/392370293.db2.gz ZMNIMKCWFNPCDJ-ULQDDVLXSA-N 2 0 292.423 1.496 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1cc(C)ccc1OC ZINC000629528507 392385294 /nfs/dbraw/zinc/38/52/94/392385294.db2.gz AXQRMGHJRWINRE-ZDUSSCGKSA-N 2 0 266.385 1.890 10 0 CDAERP C[C@@H](NCc1ccc2c[nH+]cn2c1)[C@H]1CCCC[NH2+]1 ZINC000423171300 392411296 /nfs/dbraw/zinc/41/12/96/392411296.db2.gz OAMDPEISHOQGPP-IUODEOHRSA-N 2 0 258.369 1.955 10 0 CDAERP CC[C@](C)(O)C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000444603434 392414174 /nfs/dbraw/zinc/41/41/74/392414174.db2.gz TVISMGLGKGDRKJ-GJZGRUSLSA-N 2 0 254.418 1.811 10 0 CDAERP C[C@H]([NH2+]CCC[NH3+])c1cccc(N2CCOCC2)c1 ZINC000423176843 392417190 /nfs/dbraw/zinc/41/71/90/392417190.db2.gz ICHFXLNFDQEGFN-ZDUSSCGKSA-N 2 0 263.385 1.523 10 0 CDAERP C[C@H](NCCC[NH2+]Cc1cccnc1)[C@H]1CCC[NH2+]1 ZINC000423189507 392428752 /nfs/dbraw/zinc/42/87/52/392428752.db2.gz POURQEXACROLAC-DZGCQCFKSA-N 2 0 262.401 1.291 10 0 CDAERP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NCCC[NH2+]Cc1cccnc1 ZINC000423189036 392429024 /nfs/dbraw/zinc/42/90/24/392429024.db2.gz OPGZQWACKGFZKF-WMLDXEAASA-N 2 0 288.439 1.634 10 0 CDAERP [NH3+]C1(CC(=O)NC2CC([NH+]3CCCCC3)C2)CCC1 ZINC000646469509 392468846 /nfs/dbraw/zinc/46/88/46/392468846.db2.gz DPIQHKAEFFDVFX-UHFFFAOYSA-N 2 0 265.401 1.391 10 0 CDAERP c1ccc(C[NH+]2CCC(N[C@H]3CCCC[NH2+]C3)CC2)nc1 ZINC000423571364 392599306 /nfs/dbraw/zinc/59/93/06/392599306.db2.gz XKDPZTHWEAMDAX-INIZCTEOSA-N 2 0 288.439 1.778 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)COC2CC[NH2+]CC2)cc1 ZINC000646804931 392821603 /nfs/dbraw/zinc/82/16/03/392821603.db2.gz JPGZPZDPHODJLT-GFCCVEGCSA-N 2 0 291.395 1.091 10 0 CDAERP C[C@H]([NH2+]CCC(=O)NC(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC000521225881 392945427 /nfs/dbraw/zinc/94/54/27/392945427.db2.gz FPKWRDWIJRMAAT-RYUDHWBXSA-N 2 0 255.406 1.269 10 0 CDAERP CCCn1ccnc1CCC[N@H+](C)C[C@](C)(O)C(C)=O ZINC000450857225 392967594 /nfs/dbraw/zinc/96/75/94/392967594.db2.gz QGBPKPAPSFKGQR-HNNXBMFYSA-N 2 0 281.400 1.498 10 0 CDAERP CC[N@H+](CC(=O)N[C@@H](CC(C)C)C[NH+](C)C)C1CC1 ZINC000131540387 393050151 /nfs/dbraw/zinc/05/01/51/393050151.db2.gz CPWGYFBIWQRULT-ZDUSSCGKSA-N 2 0 269.433 1.563 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC2CC[NH2+]CC2)[C@@H](C)C1 ZINC000521842631 393074043 /nfs/dbraw/zinc/07/40/43/393074043.db2.gz BZTOMNPOOCWIDD-ZFWWWQNUSA-N 2 0 296.459 1.358 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)[C@@H]1C ZINC000495089332 393175413 /nfs/dbraw/zinc/17/54/13/393175413.db2.gz XXORTUPDZXCRPR-TUVASFSCSA-N 2 0 254.418 1.857 10 0 CDAERP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cn3cccnc3n2)C1 ZINC000459782746 393356163 /nfs/dbraw/zinc/35/61/63/393356163.db2.gz MWMGDARKTMBQEV-CYBMUJFWSA-N 2 0 273.384 1.551 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1CC ZINC000245438618 140268306 /nfs/dbraw/zinc/26/83/06/140268306.db2.gz YHSBTYWREVYZLH-LSDHHAIUSA-N 2 0 281.444 1.804 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1CC ZINC000245438617 140269028 /nfs/dbraw/zinc/26/90/28/140269028.db2.gz YHSBTYWREVYZLH-HUUCEWRRSA-N 2 0 281.444 1.804 10 0 CDAERP C[C@@H](C(=O)NCCC[N@@H+]1CCCC[C@H]1C)C1C[NH2+]C1 ZINC000253175394 140331579 /nfs/dbraw/zinc/33/15/79/140331579.db2.gz OHZOQRKCJIBPEG-CHWSQXEVSA-N 2 0 267.417 1.223 10 0 CDAERP C[NH2+]C[C@@H](C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261549128 140345406 /nfs/dbraw/zinc/34/54/06/140345406.db2.gz OFQNULUWNFAJJA-GDBMZVCRSA-N 2 0 289.423 1.575 10 0 CDAERP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000261769519 140387074 /nfs/dbraw/zinc/38/70/74/140387074.db2.gz OLJWPNYHIFVRTF-SCVCMEIPSA-N 2 0 274.368 1.505 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261780103 140388349 /nfs/dbraw/zinc/38/83/49/140388349.db2.gz HHJWJFYVRWEDOP-OLZOCXBDSA-N 2 0 267.417 1.447 10 0 CDAERP O=C(CC[C@@H]1CC[NH2+]C1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000261824143 140395017 /nfs/dbraw/zinc/39/50/17/140395017.db2.gz MTUWASAQJKTNMW-GDBMZVCRSA-N 2 0 293.455 1.757 10 0 CDAERP COc1c[nH+]ccc1N1CC[NH+]([C@@H]2CCO[C@H](C)C2)CC1 ZINC000660452986 413135761 /nfs/dbraw/zinc/13/57/61/413135761.db2.gz GQLAFFGYUMIGAS-ZIAGYGMSSA-N 2 0 291.395 1.780 10 0 CDAERP CO[C@H](C)[C@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658067409 413166644 /nfs/dbraw/zinc/16/66/44/413166644.db2.gz NJURKYALNTYNTG-UONOGXRCSA-N 2 0 284.444 1.890 10 0 CDAERP CN(CC1CC1)C(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000354843712 397665131 /nfs/dbraw/zinc/66/51/31/397665131.db2.gz BXCZXFMCFQFRRQ-UHFFFAOYSA-N 2 0 281.444 1.519 10 0 CDAERP C[N@H+](CCN1CC[NH2+]CC1)C[C@H]1CCCCC1(F)F ZINC000394683133 397830999 /nfs/dbraw/zinc/83/09/99/397830999.db2.gz ZNSBUCWBHOSLOJ-CYBMUJFWSA-N 2 0 275.387 1.649 10 0 CDAERP [NH3+]C1CCC(C(=O)N2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000037826195 398112348 /nfs/dbraw/zinc/11/23/48/398112348.db2.gz RUBDQACDHGJACL-UHFFFAOYSA-N 2 0 293.455 1.838 10 0 CDAERP CC[C@H](O)C[NH+]1CCN(CC[NH+]2CCC(C)CC2)CC1 ZINC000153962042 289188748 /nfs/dbraw/zinc/18/87/48/289188748.db2.gz MDABIKVYAJEKGC-INIZCTEOSA-N 2 0 283.460 1.107 10 0 CDAERP CC[C@H](C)C[NH2+]CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001663938613 1172793006 /nfs/dbraw/zinc/79/30/06/1172793006.db2.gz XMUNHLIMKPFHRP-DZGCQCFKSA-N 2 0 281.444 1.422 10 0 CDAERP CC(C)[NH+](CCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1)C(C)C ZINC000097092044 147120222 /nfs/dbraw/zinc/12/02/22/147120222.db2.gz FFAJPCROLAVQSW-CHWSQXEVSA-N 2 0 255.406 1.349 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1ccnn1C ZINC000658108267 413206358 /nfs/dbraw/zinc/20/63/58/413206358.db2.gz QHRFAXMWEOOEAS-KBPBESRZSA-N 2 0 281.448 1.343 10 0 CDAERP CCO[C@H]1C[C@H](O)C12CC[NH+](CCC[NH+]1CCCC1)CC2 ZINC000119058782 147303154 /nfs/dbraw/zinc/30/31/54/147303154.db2.gz RIFRTNXAHDKQRD-HOTGVXAUSA-N 2 0 296.455 1.724 10 0 CDAERP C[C@H](CC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)C1CC[NH2+]CC1 ZINC000185174845 148391147 /nfs/dbraw/zinc/39/11/47/148391147.db2.gz MYSPIJLXJFFECM-BEAPCOKYSA-N 2 0 279.428 1.208 10 0 CDAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCCOC3)cc2)C1 ZINC000658139895 413228097 /nfs/dbraw/zinc/22/80/97/413228097.db2.gz NWAIHXFDDOCEEB-DLBZAZTESA-N 2 0 290.407 1.522 10 0 CDAERP C[C@H](CCNC(=O)[C@H]1CCCCCC[C@H]1[NH3+])[NH+](C)C ZINC000662633699 413229488 /nfs/dbraw/zinc/22/94/88/413229488.db2.gz OCKSOTHRVLAIFA-HZSPNIEDSA-N 2 0 269.433 1.741 10 0 CDAERP CCc1nc(C[NH2+][C@H](CCC[NH3+])COC)cs1 ZINC000328082377 149265441 /nfs/dbraw/zinc/26/54/41/149265441.db2.gz DHOBLDSWDGYHAC-SNVBAGLBSA-N 2 0 257.403 1.549 10 0 CDAERP CC1CC[NH+](CC(=O)N(C)CC[NH2+]CCCF)CC1 ZINC001664264461 1172832024 /nfs/dbraw/zinc/83/20/24/1172832024.db2.gz RCXAFGUEBNYPPO-UHFFFAOYSA-N 2 0 273.396 1.126 10 0 CDAERP O=C(c1ccc2c[nH+]cn2c1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000335030928 150205233 /nfs/dbraw/zinc/20/52/33/150205233.db2.gz DCQNBNJVULOVQU-AWEZNQCLSA-N 2 0 270.336 1.301 10 0 CDAERP C[C@H](CC(=O)N1CC[NH+]2CCC1CC2)[C@@H]1CCC[NH2+]C1 ZINC000335037824 150214479 /nfs/dbraw/zinc/21/44/79/150214479.db2.gz MQAJBVZLGRYSQE-ZIAGYGMSSA-N 2 0 279.428 1.319 10 0 CDAERP C[C@@H]1CN(C(=O)NC2CC([NH+]3CCCCC3)C2)CC[NH2+]1 ZINC000335166646 150360117 /nfs/dbraw/zinc/36/01/17/150360117.db2.gz BQTHETBGYPVHIT-IYXRBSQSSA-N 2 0 280.416 1.007 10 0 CDAERP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)C1(CO)CC1 ZINC000658155781 413247185 /nfs/dbraw/zinc/24/71/85/413247185.db2.gz QWSXZPOYGGGQDJ-DGAVXFQQSA-N 2 0 252.402 1.610 10 0 CDAERP CC[C@H](C)C[NH2+]CCN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001664375182 1172845563 /nfs/dbraw/zinc/84/55/63/1172845563.db2.gz ZRSBBOHAIUIDIW-GJZGRUSLSA-N 2 0 299.459 1.049 10 0 CDAERP COc1ccc([C@H](CCO)[NH2+][C@@H]2CN(C)C[C@@H]2C)cc1 ZINC000343098972 152031348 /nfs/dbraw/zinc/03/13/48/152031348.db2.gz TXZPLVPBXQLEKH-VBNZEHGJSA-N 2 0 278.396 1.658 10 0 CDAERP C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000343555819 152222324 /nfs/dbraw/zinc/22/23/24/152222324.db2.gz FZGOEFJOFZZZDE-PBHICJAKSA-N 3 0 291.439 1.667 10 0 CDAERP c1c(CN2CCSCC2)nnn1-c1ccncc1 ZINC000656441197 413271660 /nfs/dbraw/zinc/27/16/60/413271660.db2.gz VGNNCOMJEUYJRZ-UHFFFAOYSA-N 2 0 261.354 1.211 10 0 CDAERP CCC(CC)[C@@H](CNC(=O)CC1([NH3+])CC1)[NH+]1CCOCC1 ZINC000662672599 413290370 /nfs/dbraw/zinc/29/03/70/413290370.db2.gz CFIZHFGISQLTJX-CQSZACIVSA-N 2 0 297.443 1.121 10 0 CDAERP O[C@@H]1C[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C12CCC2 ZINC000658249448 413312820 /nfs/dbraw/zinc/31/28/20/413312820.db2.gz BCHNLAXSPWSTNV-LSDHHAIUSA-N 2 0 264.413 1.754 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC000362772284 159235322 /nfs/dbraw/zinc/23/53/22/159235322.db2.gz FSCBNTSYPZDKNP-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000362878861 159260228 /nfs/dbraw/zinc/26/02/28/159260228.db2.gz YEKRLJZCUTYKQO-HUUCEWRRSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H](C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[NH+]1CCCCCC1 ZINC000662748462 413428597 /nfs/dbraw/zinc/42/85/97/413428597.db2.gz VGUDMSXSRTUPQY-JHJVBQTASA-N 2 0 271.380 1.149 10 0 CDAERP C[C@@H](CCCC[NH3+])NC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662564997 411768999 /nfs/dbraw/zinc/76/89/99/411768999.db2.gz DCCMUUYVJSTJTL-SWLSCSKDSA-N 2 0 275.396 1.855 10 0 CDAERP C[NH+](C)C1(CNC(=O)CC2([NH3+])CC2)CCCCCC1 ZINC000662667317 411818296 /nfs/dbraw/zinc/81/82/96/411818296.db2.gz XAAZOBPUWRCPDK-UHFFFAOYSA-N 2 0 267.417 1.639 10 0 CDAERP CC(C)[NH+]1CCC(C[NH3+])(N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000019471782 170805409 /nfs/dbraw/zinc/80/54/09/170805409.db2.gz YRAIFLDPILWRSS-ZIAGYGMSSA-N 2 0 269.433 1.297 10 0 CDAERP CSc1ccc([C@@H](C[NH3+])N2CC[NH+](C)CC2)cc1 ZINC000020362567 171161472 /nfs/dbraw/zinc/16/14/72/171161472.db2.gz SEMJZAGDPIYBPE-CQSZACIVSA-N 2 0 265.426 1.656 10 0 CDAERP CCC[NH+]1CCN([C@@H](C[NH3+])c2c(F)cccc2F)CC1 ZINC000022212744 171374258 /nfs/dbraw/zinc/37/42/58/171374258.db2.gz IUWYPHZYYQMHFT-AWEZNQCLSA-N 2 0 283.366 1.992 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000653176230 412116111 /nfs/dbraw/zinc/11/61/11/412116111.db2.gz NLUTYYXFFMZWDM-CYBMUJFWSA-N 2 0 255.406 1.080 10 0 CDAERP Cc1ccc([C@@H]([NH3+])C(=O)NCCC2(C[NH3+])CC2)cc1 ZINC000653221109 412148330 /nfs/dbraw/zinc/14/83/30/412148330.db2.gz ICNBYPXZHMNQCR-CYBMUJFWSA-N 2 0 261.369 1.240 10 0 CDAERP CCOc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](OCC)C2)cc1 ZINC000405287487 413542035 /nfs/dbraw/zinc/54/20/35/413542035.db2.gz FNZZDEDBWYKMSO-GDBMZVCRSA-N 2 0 278.396 1.881 10 0 CDAERP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654661045 413550540 /nfs/dbraw/zinc/55/05/40/413550540.db2.gz NCPBFWPFMCQODH-KBXIAJHMSA-N 2 0 296.459 1.308 10 0 CDAERP CN(CC(C)(C)[NH3+])C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000662844085 413594148 /nfs/dbraw/zinc/59/41/48/413594148.db2.gz YIJZBSLWIJBLRO-TUAOUCFPSA-N 2 0 253.390 1.103 10 0 CDAERP CCO[C@@H]1CN([C@H](C)C(=O)NC2CCCCC2)C[C@H]1C[NH3+] ZINC000405615734 413643181 /nfs/dbraw/zinc/64/31/81/413643181.db2.gz UGXKMWBGFXDVQP-UMVBOHGHSA-N 2 0 297.443 1.119 10 0 CDAERP CC(C)(CCC[NH3+])NC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000659313083 413704046 /nfs/dbraw/zinc/70/40/46/413704046.db2.gz MDEMTDJTSZTIOS-CQSZACIVSA-N 2 0 275.396 1.855 10 0 CDAERP [NH3+][C@@H]1CN(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC[C@H]1F ZINC000659487299 413878341 /nfs/dbraw/zinc/87/83/41/413878341.db2.gz WOCUJRIVXSKVDH-MGPQQGTHSA-N 2 0 298.406 1.084 10 0 CDAERP CCN(C(=O)NCCCC[NH+](C)C1CC1)[C@H]1CC[N@H+](C)C1 ZINC000665080266 413843683 /nfs/dbraw/zinc/84/36/83/413843683.db2.gz QAGNOTJMKINFQP-HNNXBMFYSA-N 2 0 296.459 1.596 10 0 CDAERP C([NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)C12CC(C1)C[NH2+]2 ZINC000665280300 414018524 /nfs/dbraw/zinc/01/85/24/414018524.db2.gz YBWMQMNQMSFUHB-ZHGALXRWSA-N 2 0 264.413 1.923 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000665233278 413959924 /nfs/dbraw/zinc/95/99/24/413959924.db2.gz CYEUNDPQCZICJY-HNNXBMFYSA-N 3 0 297.487 1.985 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCC[C@@H]([NH3+])C(C)C)C1 ZINC000659623048 414031422 /nfs/dbraw/zinc/03/14/22/414031422.db2.gz CFHHCQQTTMODNO-LSDHHAIUSA-N 2 0 298.475 1.733 10 0 CDAERP C[C@@H]([NH2+]CCCn1ccnc1)[C@H]1CCC[N@H+](C)C1 ZINC000037222056 173042163 /nfs/dbraw/zinc/04/21/63/173042163.db2.gz VPSLNMLSLOEJFM-KGLIPLIRSA-N 2 0 250.390 1.593 10 0 CDAERP CC[C@@H](C)NC(=O)C[N@H+](CCC[NH3+])C1CCCCC1 ZINC000037299750 173105389 /nfs/dbraw/zinc/10/53/89/173105389.db2.gz MVWLKXDMCGLEJJ-CYBMUJFWSA-N 2 0 269.433 1.885 10 0 CDAERP C[N@H+]1CC=C(CNC(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)CC1 ZINC000665361581 414106926 /nfs/dbraw/zinc/10/69/26/414106926.db2.gz RZJJXKQZSKBOFO-AWEZNQCLSA-N 2 0 294.443 1.420 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cccc3nccn32)C1 ZINC000655825983 414231911 /nfs/dbraw/zinc/23/19/11/414231911.db2.gz ANGPOFXAUCLOHT-XBXGTLAGSA-N 3 0 258.369 1.764 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc3c(c2)OCCO3)C1 ZINC000655826380 414237169 /nfs/dbraw/zinc/23/71/69/414237169.db2.gz UQOZQTNXQKAGNV-OKILXGFUSA-N 2 0 276.380 1.888 10 0 CDAERP CC[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCCOC)CC2)CO1 ZINC000657343510 414186404 /nfs/dbraw/zinc/18/64/04/414186404.db2.gz PEQDOEZJHYSFGU-LSDHHAIUSA-N 2 0 270.417 1.644 10 0 CDAERP C[C@@H]1C[C@@H](C)N(Cc2nc3c(s2)C[NH2+]CC3)C[C@@H]1C[NH3+] ZINC000663496265 414293284 /nfs/dbraw/zinc/29/32/84/414293284.db2.gz FMVNSBXQMILUCQ-UTUOFQBUSA-N 2 0 294.468 1.594 10 0 CDAERP CCCN(Cc1nc2c(s1)C[NH2+]CC2)C1CC[NH2+]CC1 ZINC000663494959 414294915 /nfs/dbraw/zinc/29/49/15/414294915.db2.gz LVQBHAKUNTWYRE-UHFFFAOYSA-N 2 0 294.468 1.753 10 0 CDAERP OCC1(CC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000657484747 414382230 /nfs/dbraw/zinc/38/22/30/414382230.db2.gz UCBNSDSAIGFYTR-UHFFFAOYSA-N 2 0 272.352 1.520 10 0 CDAERP OC[C@H]1CCC[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657494574 414391798 /nfs/dbraw/zinc/39/17/98/414391798.db2.gz CRGVISLXLQXRGB-KBPBESRZSA-N 2 0 286.379 1.908 10 0 CDAERP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](C2CCC2)C1 ZINC000662041827 414486747 /nfs/dbraw/zinc/48/67/47/414486747.db2.gz COLJLUBXQUCAIJ-HUUCEWRRSA-N 2 0 254.418 1.811 10 0 CDAERP C[C@@H]1SCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)[C@H]1C ZINC000662254453 414590483 /nfs/dbraw/zinc/59/04/83/414590483.db2.gz IFXAFRQVWCRQCO-SRVKXCTJSA-N 2 0 256.415 1.333 10 0 CDAERP CC[NH+](CC)CCN(CC(C)C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662260044 414595302 /nfs/dbraw/zinc/59/53/02/414595302.db2.gz FNBBFFJKYZLHQV-MRXNPFEDSA-N 2 0 297.487 1.807 10 0 CDAERP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662263841 414598689 /nfs/dbraw/zinc/59/86/89/414598689.db2.gz PAMXWTVUHNAJRN-ILXRZTDVSA-N 2 0 279.428 1.066 10 0 CDAERP Clc1cccc([C@H]2C[NH2+]CCN2C[C@@H]2C[NH2+]CCO2)c1 ZINC000662273707 414604145 /nfs/dbraw/zinc/60/41/45/414604145.db2.gz YSIQZIMDCMZSJR-LSDHHAIUSA-N 2 0 295.814 1.275 10 0 CDAERP C[N@H+](CCN1CCOCC1)Cc1cccc2c1CC[NH2+]C2 ZINC000662277717 414608466 /nfs/dbraw/zinc/60/84/66/414608466.db2.gz SQJJFKSZTONIDX-UHFFFAOYSA-N 2 0 289.423 1.096 10 0 CDAERP CCOC1CC(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)C1 ZINC000662321849 414640975 /nfs/dbraw/zinc/64/09/75/414640975.db2.gz FAGWHYYZNVHTTC-PCKAHOCUSA-N 2 0 284.444 1.844 10 0 CDAERP CC(C)(C)CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508472 174303315 /nfs/dbraw/zinc/30/33/15/174303315.db2.gz AIJHVLHPKNRTKD-ZDUSSCGKSA-N 2 0 267.417 1.319 10 0 CDAERP CC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]CCc2nccn2C)C1 ZINC000040639015 174362767 /nfs/dbraw/zinc/36/27/67/174362767.db2.gz FDAJXELUUKEHFV-KGLIPLIRSA-N 2 0 264.417 1.673 10 0 CDAERP CCC[N@H+](CCNC(C)=O)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748501 174393331 /nfs/dbraw/zinc/39/33/31/174393331.db2.gz YXWJKWYJAQZHOT-PBWFPOADSA-N 2 0 253.390 1.118 10 0 CDAERP NC(=O)c1ccccc1C[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750281 174395314 /nfs/dbraw/zinc/39/53/14/174395314.db2.gz ZJVUMGMWBSRAFG-YHWZYXNKSA-N 2 0 259.353 1.240 10 0 CDAERP COc1cccc([C@H]([C@@H](C)[NH3+])N2CC[NH+](C)CC2)c1 ZINC000043025518 174945782 /nfs/dbraw/zinc/94/57/82/174945782.db2.gz YXXWEBUJZXGXST-DOMZBBRYSA-N 2 0 263.385 1.331 10 0 CDAERP Cc1ccc([C@H]([C@H](C)[NH3+])N2CCC[N@H+](C)CC2)o1 ZINC000043363931 175025064 /nfs/dbraw/zinc/02/50/64/175025064.db2.gz GMEPAKSDHTUKOU-JSGCOSHPSA-N 2 0 251.374 1.614 10 0 CDAERP CN(C)c1cc[nH+]cc1NC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000043588526 175072786 /nfs/dbraw/zinc/07/27/86/175072786.db2.gz JHNSQMCOMJPIQU-GFCCVEGCSA-N 2 0 276.384 1.866 10 0 CDAERP CCOC(=O)[C@@H](C)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043615514 175079779 /nfs/dbraw/zinc/07/97/79/175079779.db2.gz PVUYBXXHEPGCOL-LBPRGKRZSA-N 2 0 256.390 1.459 10 0 CDAERP C[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccc(OC(C)C)cc1 ZINC000043810540 175109613 /nfs/dbraw/zinc/10/96/13/175109613.db2.gz JZUAMEQRULVANG-QGZVFWFLSA-N 2 0 291.439 1.982 10 0 CDAERP CC[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccc(OCC)cc1 ZINC000043810784 175110063 /nfs/dbraw/zinc/11/00/63/175110063.db2.gz QGNRDWCRERMIMG-QGZVFWFLSA-N 2 0 291.439 1.983 10 0 CDAERP CC[NH2+][C@@H]1c2ccccc2CC[C@H]1N1CC[NH+](C)CC1 ZINC000043810879 175110532 /nfs/dbraw/zinc/11/05/32/175110532.db2.gz XTVCACHLYMYXQN-IAGOWNOFSA-N 2 0 273.424 1.899 10 0 CDAERP CC[C@@H]1CC[C@@H]([NH2+]C)[C@H](N2CCC[N@H+](C)CC2)C1 ZINC000043818090 175113116 /nfs/dbraw/zinc/11/31/16/175113116.db2.gz KXLIQFDBZPBIDT-RBSFLKMASA-N 2 0 253.434 1.791 10 0 CDAERP CC[NH2+][C@H]1CCCC[C@H]1N1CC[NH+](C(C)C)CC1 ZINC000043897118 175119766 /nfs/dbraw/zinc/11/97/66/175119766.db2.gz CCVYXJRVABKVSA-LSDHHAIUSA-N 2 0 253.434 1.933 10 0 CDAERP C[NH2+][C@@H]1CCCCC[C@H]1N1CC[NH+](CC2CC2)CC1 ZINC000043967842 175129390 /nfs/dbraw/zinc/12/93/90/175129390.db2.gz FRTGXUXFMVFCTQ-HZPDHXFCSA-N 2 0 265.445 1.935 10 0 CDAERP CCC[NH2+][C@H]1CCC[C@H]1N(CCOC)[C@@H](C)COC ZINC000043976033 175132946 /nfs/dbraw/zinc/13/29/46/175132946.db2.gz FLHKDLWAEZWITG-SOUVJXGZSA-N 2 0 272.433 1.890 10 0 CDAERP CC[NH2+][C@H]1CCC[C@@H]1N(C)C1CC[NH+](CC)CC1 ZINC000043978265 175133574 /nfs/dbraw/zinc/13/35/74/175133574.db2.gz RCKUCJFDIQMHOX-GJZGRUSLSA-N 2 0 253.434 1.933 10 0 CDAERP C[NH+]1CCC(C[NH2+]CC(=O)Nc2c(F)cccc2F)CC1 ZINC000044518208 175191219 /nfs/dbraw/zinc/19/12/19/175191219.db2.gz HWBLHXSOSIQDPV-UHFFFAOYSA-N 2 0 297.349 1.835 10 0 CDAERP CCC[NH2+]CC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000044650687 175224345 /nfs/dbraw/zinc/22/43/45/175224345.db2.gz RSOAFOOGCXRPKA-UHFFFAOYSA-N 2 0 267.417 1.463 10 0 CDAERP [NH3+]Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000044680874 175229072 /nfs/dbraw/zinc/22/90/72/175229072.db2.gz PJPLKBVOVGRYJH-CYBMUJFWSA-N 2 0 274.368 1.504 10 0 CDAERP CC(C)[NH2+]CCCC[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000045174437 175322951 /nfs/dbraw/zinc/32/29/51/175322951.db2.gz FINORAYDIKEAKE-UHFFFAOYSA-N 2 0 298.452 1.958 10 0 CDAERP CC[N@H+](CCC[C@@](C)([NH3+])C(=O)OC)C1CCCC1 ZINC000045390574 175374593 /nfs/dbraw/zinc/37/45/93/175374593.db2.gz WKODNWYZKQRFSU-CQSZACIVSA-N 2 0 256.390 1.922 10 0 CDAERP C[N@H+](CCCC[C@](C)([NH2+]C1CC1)C(N)=O)CC1CC1 ZINC000045419938 175377691 /nfs/dbraw/zinc/37/76/91/175377691.db2.gz XJVIRSNCGLLFOO-HNNXBMFYSA-N 2 0 267.417 1.495 10 0 CDAERP CC[C@]1(C)C[C@](C[NH3+])(N2CCC([NH+](C)C)CC2)CCO1 ZINC000070363615 175892231 /nfs/dbraw/zinc/89/22/31/175892231.db2.gz OBGSOLPBSTZLEL-HZPDHXFCSA-N 2 0 283.460 1.689 10 0 CDAERP CCC[NH2+][C@H]1CCCN([C@H]2CCC[N@H+](C)C2)C1=O ZINC000071031094 176022355 /nfs/dbraw/zinc/02/23/55/176022355.db2.gz NIFMYHFSDWMYOR-STQMWFEESA-N 2 0 253.390 1.071 10 0 CDAERP CC[NH2+][C@H]1CCCN(CCC[NH+]2CCCC2)C1=O ZINC000071031422 176022934 /nfs/dbraw/zinc/02/29/34/176022934.db2.gz QLLLOIJYZGTFGE-ZDUSSCGKSA-N 2 0 253.390 1.073 10 0 CDAERP CCC[NH2+][C@H]1CCCN([C@@H]2CC[N@@H+](C3CC3)C2)C1=O ZINC000071034040 176024341 /nfs/dbraw/zinc/02/43/41/176024341.db2.gz NQOHLTUGERJLHE-KGLIPLIRSA-N 2 0 265.401 1.214 10 0 CDAERP CCC[NH2+][C@H]1CCCN([C@@H](C[NH+](C)C)C(C)C)C1=O ZINC000071034258 176024470 /nfs/dbraw/zinc/02/44/70/176024470.db2.gz IXQHMFOKVIVPNH-KBPBESRZSA-N 2 0 269.433 1.563 10 0 CDAERP CCC[NH2+][C@H]1CCCN([C@H]2CC[N@@H+](C3CC3)C2)C1=O ZINC000071034043 176024479 /nfs/dbraw/zinc/02/44/79/176024479.db2.gz NQOHLTUGERJLHE-KBPBESRZSA-N 2 0 265.401 1.214 10 0 CDAERP CC[NH2+][C@@H]1CCCN([C@@H](C)C[NH+](CC)CC)C1=O ZINC000071034741 176024928 /nfs/dbraw/zinc/02/49/28/176024928.db2.gz QCCJBXNZFKXADM-QWHCGFSZSA-N 2 0 255.406 1.317 10 0 CDAERP C[N@H+](CCN1CCC[C@@H]([NH2+]C2CC2)C1=O)C1CCCC1 ZINC000071043725 176029994 /nfs/dbraw/zinc/02/99/94/176029994.db2.gz HDNFFOLATMVWDD-OAHLLOKOSA-N 2 0 279.428 1.604 10 0 CDAERP CN(C[C@H]1CC[N@H+](C)C1)[C@@H](C[NH3+])C1CCCCC1 ZINC000071188518 176063043 /nfs/dbraw/zinc/06/30/43/176063043.db2.gz FDQRDRRNTSUIOG-ZFWWWQNUSA-N 2 0 253.434 1.778 10 0 CDAERP CCC1(C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)CC[NH2+]CC1 ZINC000071189597 176065308 /nfs/dbraw/zinc/06/53/08/176065308.db2.gz DLGYSDOWHXQMED-CYBMUJFWSA-N 2 0 267.417 1.176 10 0 CDAERP CN(C[C@H]1CC[N@H+](C)C1)C(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000071189589 176065578 /nfs/dbraw/zinc/06/55/78/176065578.db2.gz GQPTXAJHGTUBGO-XJKSGUPXSA-N 2 0 287.407 1.111 10 0 CDAERP CC(C)C[NH2+]C[C@]1(CN(C)C[C@@H]2CC[N@H+](C)C2)CCOC1 ZINC000071191474 176070526 /nfs/dbraw/zinc/07/05/26/176070526.db2.gz WBMYANZHNBVSCT-SJORKVTESA-N 2 0 297.487 1.522 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1Cc1ccc(F)cc1C(N)=[NH2+] ZINC000071268016 176101786 /nfs/dbraw/zinc/10/17/86/176101786.db2.gz HGQKWSPBIDYALQ-ZDUSSCGKSA-N 2 0 278.375 1.636 10 0 CDAERP CC[NH+](CC)CCSc1nnc(C[NH3+])n1C(C)C ZINC000071374245 176139589 /nfs/dbraw/zinc/13/95/89/176139589.db2.gz OSAXHUMDHRFQHS-UHFFFAOYSA-N 2 0 271.434 1.752 10 0 CDAERP C[C@@H]1CCC[C@H](C(=O)NCC[N@H+](C)C2CCCC2)[NH2+]1 ZINC000071379390 176143317 /nfs/dbraw/zinc/14/33/17/176143317.db2.gz JIICOOLBWNBJKT-TZMCWYRMSA-N 2 0 267.417 1.508 10 0 CDAERP CC[NH2+][C@H]1CCC[C@H]1CN1CC[NH+](CC(C)(C)O)CC1 ZINC000071381841 176145680 /nfs/dbraw/zinc/14/56/80/176145680.db2.gz LCTSYZAQWSFLGD-GJZGRUSLSA-N 2 0 283.460 1.153 10 0 CDAERP C[NH+](C)CCOc1nc2ccccc2cc1C(N)=[NH2+] ZINC000071390374 176148364 /nfs/dbraw/zinc/14/83/64/176148364.db2.gz GRIQFLJFEQMUAE-UHFFFAOYSA-N 2 0 258.325 1.459 10 0 CDAERP C[C@@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)[C@@H]1C ZINC000357737401 287346038 /nfs/dbraw/zinc/34/60/38/287346038.db2.gz WFNWLUFFEOZXAI-ZIAGYGMSSA-N 2 0 293.455 1.850 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)[C@H]2C[C@H](C)CC[NH2+]2)cc1 ZINC000417808284 226606824 /nfs/dbraw/zinc/60/68/24/226606824.db2.gz FJUSLPCBTUQLKX-TYNCELHUSA-N 2 0 275.396 1.711 10 0 CDAERP C[C@H](CNC1CC[NH2+]CC1)[N@H+](C)Cc1ccccc1 ZINC000390470148 262195697 /nfs/dbraw/zinc/19/56/97/262195697.db2.gz BPUIYXZGHYIOFC-CQSZACIVSA-N 2 0 261.413 1.849 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659493744 423814599 /nfs/dbraw/zinc/81/45/99/423814599.db2.gz LMJKXEABSFIKEO-OPFPJEHXSA-N 2 0 282.432 1.158 10 0 CDAERP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+](CCC2CC2)CC2CC2)C1 ZINC000663502154 423896515 /nfs/dbraw/zinc/89/65/15/423896515.db2.gz CSOCCJWCNGJRIU-INIZCTEOSA-N 2 0 293.455 1.696 10 0 CDAERP Cc1nccn1CCCCNC(=O)NCCC1(C[NH3+])CC1 ZINC000652158011 423981029 /nfs/dbraw/zinc/98/10/29/423981029.db2.gz QQIYNBFCDOIBCP-UHFFFAOYSA-N 2 0 293.415 1.400 10 0 CDAERP CN(CC[NH+]1CCCCC1)C(=O)c1ccccc1CC[NH3+] ZINC000653274913 424227225 /nfs/dbraw/zinc/22/72/25/424227225.db2.gz RVWMKKQMDOGGMS-UHFFFAOYSA-N 2 0 289.423 1.746 10 0 CDAERP O=C([C@@H]1CC[C@H](C2CC2)[NH2+]1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000653126014 424321967 /nfs/dbraw/zinc/32/19/67/424321967.db2.gz GMPKZPOTOQEYJW-FPCVCCKLSA-N 2 0 291.439 1.508 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CC[C@@H](C)SC2)CC1 ZINC000655690044 424397567 /nfs/dbraw/zinc/39/75/67/424397567.db2.gz SPZSPTMOMWETPK-KFWWJZLASA-N 2 0 285.501 1.886 10 0 CDAERP O=C(c1cccc2c1CC[NH2+]C2)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000662755486 424404101 /nfs/dbraw/zinc/40/41/01/424404101.db2.gz BFOULOLKYJIQHG-CQSZACIVSA-N 2 0 285.391 1.299 10 0 CDAERP C[C@@H]1CC[C@H]([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)CS1 ZINC000655716999 424495265 /nfs/dbraw/zinc/49/52/65/424495265.db2.gz RUTLQBBKTAELDZ-RDBSUJKOSA-N 2 0 299.484 1.448 10 0 CDAERP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1)[C@H](C)[NH3+] ZINC000423973997 270384673 /nfs/dbraw/zinc/38/46/73/270384673.db2.gz FEPRWXXJQGBNQJ-GFQSEFKGSA-N 2 0 255.406 1.049 10 0 CDAERP CC(C)(C[NH2+][C@H]1CCCCC[C@@H]1[NH3+])C(=O)N1CCCC1 ZINC000530223658 271164952 /nfs/dbraw/zinc/16/49/52/271164952.db2.gz OKDKAAJJMSRUKM-KBPBESRZSA-N 2 0 281.444 1.885 10 0 CDAERP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCC[NH2+]C(C)(C)C ZINC000174240129 273815698 /nfs/dbraw/zinc/81/56/98/273815698.db2.gz ZHBIFFDCBKJUGE-OAHLLOKOSA-N 2 0 291.439 1.664 10 0 CDAERP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1Cc2ccccc2[C@@H]1O ZINC000248177151 274340411 /nfs/dbraw/zinc/34/04/11/274340411.db2.gz VTEYLTODTGZZGR-XYFLEOOXSA-N 2 0 274.408 1.963 10 0 CDAERP C(C[NH2+]C1CCCCCC1)N[C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423282633 275393891 /nfs/dbraw/zinc/39/38/91/275393891.db2.gz CZNMOVDCFFKJAM-DLBZAZTESA-N 2 0 295.471 1.655 10 0 CDAERP CC(C)(C)[NH+]1CCC([NH2+]C2CCC(C(N)=O)CC2)CC1 ZINC000358158351 275814893 /nfs/dbraw/zinc/81/48/93/275814893.db2.gz NLYNCYHVRLXKKW-UHFFFAOYSA-N 2 0 281.444 1.883 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000440102284 277081176 /nfs/dbraw/zinc/08/11/76/277081176.db2.gz KMCGYYZDGGKAFN-LSDHHAIUSA-N 2 0 279.428 1.604 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@]1(C)CCCC[C@H]1O ZINC000422824040 277259882 /nfs/dbraw/zinc/25/98/82/277259882.db2.gz MSJZDXHCHPECKB-BFHYXJOUSA-N 2 0 258.406 1.271 10 0 CDAERP COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420373758 277373689 /nfs/dbraw/zinc/37/36/89/277373689.db2.gz MZGGLWUYDHNCDM-TUVASFSCSA-N 2 0 280.412 1.650 10 0 CDAERP COCC1(C[NH2+][C@H]2CCCSC2)CC[NH2+]CC1 ZINC000414976698 277484568 /nfs/dbraw/zinc/48/45/68/277484568.db2.gz PSXYHQYWDFQOSN-LBPRGKRZSA-N 2 0 258.431 1.488 10 0 CDAERP C[C@H](CC[NH2+]CC1CCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001668309932 1173394570 /nfs/dbraw/zinc/39/45/70/1173394570.db2.gz OOMFXHZDNTZLFK-OCCSQVGLSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423394122 277796795 /nfs/dbraw/zinc/79/67/95/277796795.db2.gz PTGJHDYKFBFJMB-AVGNSLFASA-N 2 0 293.377 1.847 10 0 CDAERP CC(C)(C)[NH+]1CCC(N[C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000422987772 278341668 /nfs/dbraw/zinc/34/16/68/278341668.db2.gz JCHRDFMPKAGDCW-CVEARBPZSA-N 2 0 295.471 1.606 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000262924699 278840113 /nfs/dbraw/zinc/84/01/13/278840113.db2.gz ZRZWKCNERXNILX-DGTMBMJNSA-N 2 0 265.401 1.021 10 0 CDAERP CC[NH+](CC)CCC[N@@H+]1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000451305683 279096250 /nfs/dbraw/zinc/09/62/50/279096250.db2.gz QRWIYCLQOLQPQR-XHSDSOJGSA-N 2 0 284.444 1.580 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)C1CC1 ZINC000261636136 279203611 /nfs/dbraw/zinc/20/36/11/279203611.db2.gz HKYUFNATVRGZMG-YUELXQCFSA-N 2 0 279.428 1.508 10 0 CDAERP CC[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262448475 279515846 /nfs/dbraw/zinc/51/58/46/279515846.db2.gz JIDFENZUBGNKTF-LPWJVIDDSA-N 2 0 253.390 1.021 10 0 CDAERP CC(C)n1cncc1C[NH2+][C@@H](C)C(=O)N1CCCC1 ZINC000228093385 280107881 /nfs/dbraw/zinc/10/78/81/280107881.db2.gz SKCMNBPYUYJENA-LBPRGKRZSA-N 2 0 264.373 1.565 10 0 CDAERP CC(C)[C@H](C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)[NH+](C)C ZINC000378223141 280148680 /nfs/dbraw/zinc/14/86/80/280148680.db2.gz GWHQJNAGXRSUNJ-SOUVJXGZSA-N 2 0 281.444 1.563 10 0 CDAERP CCC[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@H]1CO)[NH+](C)C ZINC000246605376 280294144 /nfs/dbraw/zinc/29/41/44/280294144.db2.gz GXNIAGDNVBNIKS-GJZGRUSLSA-N 2 0 299.459 1.070 10 0 CDAERP CCCCOC[C@H](O)C[N@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000248646095 280370525 /nfs/dbraw/zinc/37/05/25/280370525.db2.gz HDCBQQGAWASNAJ-QLFBSQMISA-N 2 0 272.433 1.579 10 0 CDAERP C[C@@H]1C[N@@H+]([C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C[C@@]1(C)C[NH3+] ZINC000415062274 288249077 /nfs/dbraw/zinc/24/90/77/288249077.db2.gz XVZGKESYCYHIBM-YIDVYQOGSA-N 3 0 265.445 1.824 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000251881258 288292451 /nfs/dbraw/zinc/29/24/51/288292451.db2.gz UVALEXAIPAHJKL-XJFOESAGSA-N 2 0 265.401 1.199 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000519818540 281043932 /nfs/dbraw/zinc/04/39/32/281043932.db2.gz CHYVHCDSCMYBDA-MJBXVCDLSA-N 2 0 267.417 1.221 10 0 CDAERP CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000527078918 281120898 /nfs/dbraw/zinc/12/08/98/281120898.db2.gz FGXUNKFGXFGPBG-ZDUSSCGKSA-N 2 0 282.432 1.206 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000251714960 288304313 /nfs/dbraw/zinc/30/43/13/288304313.db2.gz JPSBQOPHCPUBBA-MGPQQGTHSA-N 2 0 277.412 1.071 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CCCCC1 ZINC000358642032 289084298 /nfs/dbraw/zinc/08/42/98/289084298.db2.gz XWEYOCHNQPHTQN-AWEZNQCLSA-N 2 0 293.455 1.851 10 0 CDAERP C[NH+](C)CC[C@@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)C(C)(C)C ZINC000116567273 289178285 /nfs/dbraw/zinc/17/82/85/289178285.db2.gz NMEWJMVRVICOLO-ZIAGYGMSSA-N 2 0 298.475 1.698 10 0 CDAERP C[C@H](C(=O)N1CCC[N@@H+](C2CC2)CC1)[NH+]1CCCCCC1 ZINC000175794207 289269756 /nfs/dbraw/zinc/26/97/56/289269756.db2.gz XPZAWRKPBWMDRV-OAHLLOKOSA-N 2 0 293.455 1.948 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC000351970797 289277331 /nfs/dbraw/zinc/27/73/31/289277331.db2.gz JJFHEBFBHJWNGP-GJZGRUSLSA-N 2 0 281.444 1.707 10 0 CDAERP Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000158248804 289304609 /nfs/dbraw/zinc/30/46/09/289304609.db2.gz QQDRPJWQVJGMNQ-BZUAXINKSA-N 2 0 292.423 1.807 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000418711242 289786234 /nfs/dbraw/zinc/78/62/34/289786234.db2.gz WGPSGQKSYBOYBC-FQUUOJAGSA-N 2 0 282.432 1.286 10 0 CDAERP C[C@@H]1C[C@@H](C)[NH+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000548096940 289842500 /nfs/dbraw/zinc/84/25/00/289842500.db2.gz XDFBMIQMZCCGIE-IIAWOOMASA-N 2 0 289.423 1.888 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)CC1 ZINC000353316885 289888806 /nfs/dbraw/zinc/88/88/06/289888806.db2.gz VIHVFAOVVRRDIU-BZUAXINKSA-N 2 0 296.455 1.628 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](C)Cn1cccn1 ZINC000548940469 289947962 /nfs/dbraw/zinc/94/79/62/289947962.db2.gz PYJUYUGLJRMFHQ-CYBMUJFWSA-N 2 0 296.378 1.951 10 0 CDAERP CN1CCO[C@@H](C[N@H+](CC2CC2)CC2CC[NH2+]CC2)C1 ZINC000261924058 290076677 /nfs/dbraw/zinc/07/66/77/290076677.db2.gz KURFPZNSEIVMKB-MRXNPFEDSA-N 2 0 281.444 1.029 10 0 CDAERP C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@@H](C[NH3+])C3CCCC3)[C@@H]2C1 ZINC000333791402 290152234 /nfs/dbraw/zinc/15/22/34/290152234.db2.gz GGCBFLIJQNEOPF-QLFBSQMISA-N 2 0 294.443 1.240 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCN2CCOC(C)(C)C2)[C@H]2CCC[C@H]21 ZINC000367587939 290218009 /nfs/dbraw/zinc/21/80/09/290218009.db2.gz KUYFCIWPCRBGKI-OWCLPIDISA-N 2 0 295.471 1.560 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)C(F)(F)F)[C@H]2CCC[C@H]21 ZINC000353395075 290219918 /nfs/dbraw/zinc/21/99/18/290219918.db2.gz OAEQJFBWTREDNH-YTWAJWBKSA-N 2 0 266.307 1.372 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@](C)(O)C2CC2)[C@H]2CCC[C@H]21 ZINC000353521299 290220864 /nfs/dbraw/zinc/22/08/64/290220864.db2.gz QUTSBGJVQKMJDT-BARDWOONSA-N 2 0 252.402 1.610 10 0 CDAERP CC/C=C\CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001668745361 1173454087 /nfs/dbraw/zinc/45/40/87/1173454087.db2.gz FDLPQRXXIQCAHW-CUWWOONUSA-N 2 0 279.428 1.699 10 0 CDAERP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC000557569361 290353466 /nfs/dbraw/zinc/35/34/66/290353466.db2.gz HOOICYXFHDLXTA-LVQVYYBASA-N 2 0 295.471 1.811 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC000561113839 293051489 /nfs/dbraw/zinc/05/14/89/293051489.db2.gz NMOKUEMCZAPVRA-OCCSQVGLSA-N 2 0 295.452 1.809 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000423030689 293095285 /nfs/dbraw/zinc/09/52/85/293095285.db2.gz CGUIGTYOZZCCEU-AWEZNQCLSA-N 3 0 271.449 1.452 10 0 CDAERP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)[C@H]1CCC[NH2+]C1 ZINC000562958613 293226190 /nfs/dbraw/zinc/22/61/90/293226190.db2.gz CKOGUNFNBSYGKQ-HIFRSBDPSA-N 3 0 253.434 1.696 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000568649389 294077913 /nfs/dbraw/zinc/07/79/13/294077913.db2.gz FPKHEJQWOGTKPL-HZSPNIEDSA-N 2 0 267.417 1.127 10 0 CDAERP Cn1cncc1CCC[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000568650296 294077946 /nfs/dbraw/zinc/07/79/46/294077946.db2.gz TXSMAMUGMQYUJL-HNNXBMFYSA-N 2 0 263.385 1.854 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1n1cccn1 ZINC000568748541 294092796 /nfs/dbraw/zinc/09/27/96/294092796.db2.gz CZMGLJGGQJEQIB-CJYWUDNRSA-N 2 0 290.411 1.474 10 0 CDAERP CC[C@H](C)NC(=O)[C@@H](C)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000570720728 294295969 /nfs/dbraw/zinc/29/59/69/294295969.db2.gz LNERMDDFHMENBO-GZBFAFLISA-N 2 0 267.417 1.365 10 0 CDAERP C[C@H]1C[C@@H](N(C)C(=O)CN2CC(C)(C)C2)CC[N@@H+]1C ZINC000570860189 294324208 /nfs/dbraw/zinc/32/42/08/294324208.db2.gz DTVZUXACCJSZQP-STQMWFEESA-N 2 0 267.417 1.269 10 0 CDAERP [NH3+]CCCCC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000573372511 294805966 /nfs/dbraw/zinc/80/59/66/294805966.db2.gz QLYZOOTUCVPDLI-UHFFFAOYSA-N 2 0 265.332 1.539 10 0 CDAERP NC(=O)C1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000224127238 295035511 /nfs/dbraw/zinc/03/55/11/295035511.db2.gz IVBRUTKLMATXBH-SVXVCFNTSA-N 2 0 293.455 1.931 10 0 CDAERP CC(C)OC[C@H](O)C[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000574803937 295056325 /nfs/dbraw/zinc/05/63/25/295056325.db2.gz URVYWGWZXCTBSL-MRXNPFEDSA-N 2 0 286.460 1.874 10 0 CDAERP [NH3+][C@@H](CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000574862084 295065160 /nfs/dbraw/zinc/06/51/60/295065160.db2.gz AWXNHEYRLSBYRA-GJZGRUSLSA-N 2 0 288.395 1.222 10 0 CDAERP [NH3+][C@@H](CNC(=O)NCCC[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000418455444 295294876 /nfs/dbraw/zinc/29/48/76/295294876.db2.gz RSIQFQKJHDXOOG-GJZGRUSLSA-N 2 0 290.411 1.518 10 0 CDAERP [NH3+][C@@H]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000237932695 295319489 /nfs/dbraw/zinc/31/94/89/295319489.db2.gz YIDUCLMCGDDUNA-MGPQQGTHSA-N 2 0 265.401 1.201 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000418705903 298987190 /nfs/dbraw/zinc/98/71/90/298987190.db2.gz SAJWTWNPDFVYEA-MELADBBJSA-N 2 0 282.432 1.382 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@H](C)[NH+](C)C)cc1 ZINC000418245162 299003555 /nfs/dbraw/zinc/00/35/55/299003555.db2.gz BJYUNNBZFWTSLB-RYUDHWBXSA-N 2 0 278.400 1.456 10 0 CDAERP C[C@H]1C[NH+](CC2CCN(C(=O)CCC[NH3+])CC2)C[C@H](C)O1 ZINC000237663122 300252340 /nfs/dbraw/zinc/25/23/40/300252340.db2.gz BFJKASSJDGXBLJ-KBPBESRZSA-N 2 0 297.443 1.073 10 0 CDAERP [NH3+]CC12CCC(CC1)CN2C(=O)CC1CC[NH2+]CC1 ZINC000563336481 316255296 /nfs/dbraw/zinc/25/52/96/316255296.db2.gz NZKXABPEJYFOIN-UHFFFAOYSA-N 2 0 265.401 1.106 10 0 CDAERP C[C@H](C[C@@H]1COCC[NH2+]1)NCC1([NH3+])CCCCCC1 ZINC000566088326 316470995 /nfs/dbraw/zinc/47/09/95/316470995.db2.gz RIWAUNXEPICFIE-ZIAGYGMSSA-N 2 0 269.433 1.395 10 0 CDAERP CC(C)CCC[C@H](C)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000566725120 316665462 /nfs/dbraw/zinc/66/54/62/316665462.db2.gz QMWOLDOOFTXFEI-JKSUJKDBSA-N 2 0 285.476 1.399 10 0 CDAERP CC[NH+]1CCC(CNC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000575235516 316981393 /nfs/dbraw/zinc/98/13/93/316981393.db2.gz OSKRPVDCLMFHHD-TZMCWYRMSA-N 2 0 282.432 1.016 10 0 CDAERP CCC(CC)(C[NH3+])C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000575998208 317055417 /nfs/dbraw/zinc/05/54/17/317055417.db2.gz LYMBJTVHCIXFQC-UHFFFAOYSA-N 2 0 267.417 1.481 10 0 CDAERP Cn1cc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c(C(F)(F)F)n1 ZINC000576648581 317181706 /nfs/dbraw/zinc/18/17/06/317181706.db2.gz PXQUPAXERAEWCO-VHSXEESVSA-N 2 0 276.306 1.798 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000382617413 323650315 /nfs/dbraw/zinc/65/03/15/323650315.db2.gz WCFLQVQFQOAGFC-LSDHHAIUSA-N 2 0 253.434 1.920 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1[NH2+][C@@H]1CCN(c2ncccc2Cl)C1 ZINC000579944656 324321204 /nfs/dbraw/zinc/32/12/04/324321204.db2.gz MWLCOSXBVHLOPE-RAIGVLPGSA-N 2 0 280.803 1.783 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN(c2ncccc2Cl)C1 ZINC000579944658 324321615 /nfs/dbraw/zinc/32/16/15/324321615.db2.gz MWLCOSXBVHLOPE-UHTWSYAYSA-N 2 0 280.803 1.783 10 0 CDAERP C[C@H](CNC(=O)CC[C@H]1CCCC[N@@H+]1C)[NH+]1CCCC1 ZINC000582956946 325076450 /nfs/dbraw/zinc/07/64/50/325076450.db2.gz XTUXRAOVPARPOO-HUUCEWRRSA-N 2 0 281.444 1.851 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000583936156 325270995 /nfs/dbraw/zinc/27/09/95/325270995.db2.gz SFMLXZMRKOCMCI-JYJNAYRXSA-N 2 0 287.407 1.459 10 0 CDAERP [NH3+]CC12CCC(CC1)CN2C(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000584120804 327044278 /nfs/dbraw/zinc/04/42/78/327044278.db2.gz YYCUJNWRZIGGNV-CRPOECCBSA-N 2 0 299.418 1.603 10 0 CDAERP CN(C(=O)CC[NH+]1CCCCC1)[C@H](C[NH2+]CCF)C1CC1 ZINC001725476780 1159243014 /nfs/dbraw/zinc/24/30/14/1159243014.db2.gz ZKVXIACMJSOIOS-OAHLLOKOSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)OCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001725591308 1159257777 /nfs/dbraw/zinc/25/77/77/1159257777.db2.gz LUYGQHRVSGSTBE-CABCVRRESA-N 2 0 297.443 1.086 10 0 CDAERP C[C@H](CN[C@H]1C[C@@H]([NH3+])C12CCC2)[NH+]1CCCCC1 ZINC000405204271 1159259279 /nfs/dbraw/zinc/25/92/79/1159259279.db2.gz CQSYVJUQEYBKIY-MCIONIFRSA-N 2 0 251.418 1.720 10 0 CDAERP CCN(C(=O)CC[NH2+]C(C)(C)C)[C@H]1CC[N@H+](CC)C1 ZINC000695302147 1159564494 /nfs/dbraw/zinc/56/44/94/1159564494.db2.gz UZCSNEPZHSJSBM-ZDUSSCGKSA-N 2 0 269.433 1.707 10 0 CDAERP [NH3+]C1(CC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000398031613 482216483 /nfs/dbraw/zinc/21/64/83/482216483.db2.gz KFCGAKRCKDLHEA-OAHLLOKOSA-N 2 0 287.407 1.649 10 0 CDAERP COC[C@H](C)C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000668818361 482351800 /nfs/dbraw/zinc/35/18/00/482351800.db2.gz GTLFACOSEVWEMN-HIFRSBDPSA-N 2 0 254.418 1.981 10 0 CDAERP CC(C)(CNC(=O)NCCC1(C[NH3+])CC1)[NH+]1CCCCC1 ZINC000652119129 482442706 /nfs/dbraw/zinc/44/27/06/482442706.db2.gz NYHFZLLBZJYJBV-UHFFFAOYSA-N 2 0 296.459 1.679 10 0 CDAERP [NH3+]C/C=C\CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000668665806 482498722 /nfs/dbraw/zinc/49/87/22/482498722.db2.gz YQCQWRLUROOMKW-FOSCPCJNSA-N 2 0 288.395 1.075 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(C[NH3+])o1 ZINC000094573233 482532882 /nfs/dbraw/zinc/53/28/82/482532882.db2.gz ZWOHKKBDOGYWOJ-NSHDSACASA-N 2 0 265.357 1.295 10 0 CDAERP [NH3+]CCN(CCc1ccccc1)C(=O)c1ccc(C[NH3+])o1 ZINC000669518346 482545989 /nfs/dbraw/zinc/54/59/89/482545989.db2.gz PUHZAQZWKYOQLR-UHFFFAOYSA-N 2 0 287.363 1.382 10 0 CDAERP C[NH2+]C1CCN(C(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000237066769 482636467 /nfs/dbraw/zinc/63/64/67/482636467.db2.gz JPENTFSULPYDEO-OAHLLOKOSA-N 2 0 275.396 1.677 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000094648009 482799309 /nfs/dbraw/zinc/79/93/09/482799309.db2.gz AKUFXITXRLZWJO-OLZOCXBDSA-N 2 0 255.406 1.175 10 0 CDAERP C[NH2+][C@H](C)C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000379661227 482813624 /nfs/dbraw/zinc/81/36/24/482813624.db2.gz DSDMILBBQRUYFR-UONOGXRCSA-N 2 0 277.412 1.621 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000389585541 482838126 /nfs/dbraw/zinc/83/81/26/482838126.db2.gz MXEFDOXBKOXKDU-GXTWGEPZSA-N 2 0 253.390 1.119 10 0 CDAERP C[C@H](C(=O)NC1CC([NH+](C)C)C1)[NH+]1CCCCCC1 ZINC000670401979 482889543 /nfs/dbraw/zinc/88/95/43/482889543.db2.gz FVWDGBZHUJGSTN-IYXRBSQSSA-N 2 0 267.417 1.460 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCc2nc[nH]c2C1)C[NH+]1CCCC1 ZINC000666757171 482898838 /nfs/dbraw/zinc/89/88/38/482898838.db2.gz ZDGHPAVLRRHJHV-CHWSQXEVSA-N 2 0 290.411 1.363 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)N(CC)[C@@H]2CC[NH+](CC)C2)C1 ZINC000666920323 482987908 /nfs/dbraw/zinc/98/79/08/482987908.db2.gz SIGQJLIVZUSAQA-LSDHHAIUSA-N 2 0 296.459 1.596 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC[NH2+]1 ZINC000322389338 482996275 /nfs/dbraw/zinc/99/62/75/482996275.db2.gz PRKXBYRUIIWXIS-WSOGJNRSSA-N 2 0 265.401 1.116 10 0 CDAERP C[C@@H](CNC(=O)NC/C=C/C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000669474159 483196920 /nfs/dbraw/zinc/19/69/20/483196920.db2.gz MEMFCNNQEIWHEN-UZYOAWRESA-N 2 0 290.411 1.321 10 0 CDAERP CC[C@@H](Cn1cncn1)[NH2+][C@H]1CCN(CC2CC2)C1 ZINC000685647288 483198384 /nfs/dbraw/zinc/19/83/84/483198384.db2.gz QHRILNTVMOMRKV-KBPBESRZSA-N 2 0 263.389 1.131 10 0 CDAERP CN(CC(C)(C)C[NH3+])C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000669503348 483321800 /nfs/dbraw/zinc/32/18/00/483321800.db2.gz CJNYFCVPAGQQRH-AGUYFDCRSA-N 2 0 296.459 1.628 10 0 CDAERP c1cc(CN2CC[NH+](CC3CC3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000667530757 483324509 /nfs/dbraw/zinc/32/45/09/483324509.db2.gz KFRJKKSZTANAEB-UHFFFAOYSA-N 2 0 297.406 1.795 10 0 CDAERP C[NH+]1CCC[C@H]2CN(C(=O)N[C@H]3CCC[N@@H+](C)C3)CC[C@H]21 ZINC000675962062 483386485 /nfs/dbraw/zinc/38/64/85/483386485.db2.gz AVFHZJDVFSJRDU-SOUVJXGZSA-N 2 0 294.443 1.206 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000667936427 483484940 /nfs/dbraw/zinc/48/49/40/483484940.db2.gz KEZDOJFGBGVRHC-RBSFLKMASA-N 2 0 270.417 1.500 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000680497547 483638682 /nfs/dbraw/zinc/63/86/82/483638682.db2.gz JDPGAINJWMZJGD-UONOGXRCSA-N 2 0 282.432 1.206 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CC[C@@H](COCC[NH+]2CCCC2)O1 ZINC000052670497 519746296 /nfs/dbraw/zinc/74/62/96/519746296.db2.gz PGLPACAILWZBSV-CVEARBPZSA-N 2 0 284.444 1.892 10 0 CDAERP CCC[N@H+](C)CCC(=O)NCC1=CC[NH+](CC)CC1 ZINC001677624253 1174378692 /nfs/dbraw/zinc/37/86/92/1174378692.db2.gz OKCQECQQGMPCQF-UHFFFAOYSA-N 2 0 267.417 1.487 10 0 CDAERP CCC[NH2+]Cc1cn(CC[N@H+](CC)[C@@H](C)CC)nn1 ZINC000052451251 519962263 /nfs/dbraw/zinc/96/22/63/519962263.db2.gz NYZSNIOSJBDUFU-ZDUSSCGKSA-N 2 0 267.421 1.898 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001707471044 1178066999 /nfs/dbraw/zinc/06/69/99/1178066999.db2.gz AHBJIZAXMXVAGB-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CC[NH2+]Cc1cn(CC[N@H+](CC)CC(C)C)nn1 ZINC000052449730 520013460 /nfs/dbraw/zinc/01/34/60/520013460.db2.gz AEBVQHPBHPDURK-UHFFFAOYSA-N 2 0 253.394 1.366 10 0 CDAERP CCC[NH2+][C@H](C)C1CC[NH+](CCCC(=O)NC)CC1 ZINC000068815718 520061983 /nfs/dbraw/zinc/06/19/83/520061983.db2.gz YRYHGHSJZJORSB-CYBMUJFWSA-N 2 0 269.433 1.613 10 0 CDAERP CC[NH+](CC)CCCCNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000236844829 520592284 /nfs/dbraw/zinc/59/22/84/520592284.db2.gz IVAUGUGYSWNKPY-OLZOCXBDSA-N 2 0 255.406 1.352 10 0 CDAERP CCN(CC)CC[NH2+]CCN1CC[C@H]([NH+]2CCCC2)C1 ZINC000062974595 520688035 /nfs/dbraw/zinc/68/80/35/520688035.db2.gz RDXIVRZVWYZZIW-INIZCTEOSA-N 2 0 282.476 1.088 10 0 CDAERP CC1CC[NH+](CCNC(=O)[C@H]2[C@H](C)CCC[C@@H]2[NH3+])CC1 ZINC000055136675 521013709 /nfs/dbraw/zinc/01/37/09/521013709.db2.gz GXWRABSEWPPLRS-ILXRZTDVSA-N 2 0 281.444 1.598 10 0 CDAERP COCCC[N@H+](C)CCN(C(=O)[C@H]1CC[NH+](C)C1)C(C)C ZINC001486379567 1161454103 /nfs/dbraw/zinc/45/41/03/1161454103.db2.gz LHXATQLSUFZDDJ-HNNXBMFYSA-N 2 0 299.459 1.143 10 0 CDAERP C[C@@H](CC[NH2+]C/C=C\Cl)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001715649328 1179751848 /nfs/dbraw/zinc/75/18/48/1179751848.db2.gz SLZTZEVAURHWJR-SKYRXYSLSA-N 2 0 287.835 1.564 10 0 CDAERP C[NH2+]C(C)(C)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000061317892 521932930 /nfs/dbraw/zinc/93/29/30/521932930.db2.gz FQHSDWKNIZIHAT-UHFFFAOYSA-N 2 0 253.390 1.071 10 0 CDAERP CC[NH2+]CCCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001716576770 1180291658 /nfs/dbraw/zinc/29/16/58/1180291658.db2.gz DWCPKYKZYBLXCS-UHFFFAOYSA-N 2 0 269.433 1.565 10 0 CDAERP CC[C@@H](C)[NH+]1CCN([C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000055064162 522128449 /nfs/dbraw/zinc/12/84/49/522128449.db2.gz BCJPRUWAXPDRRJ-RBSFLKMASA-N 2 0 253.434 1.920 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001731860317 1182633319 /nfs/dbraw/zinc/63/33/19/1182633319.db2.gz ZHAPNAIDCAOSDG-OAHLLOKOSA-N 2 0 281.444 1.733 10 0 CDAERP CC(C)[N@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001733935431 1183575020 /nfs/dbraw/zinc/57/50/20/1183575020.db2.gz HIHXUVNHLGWFET-CYBMUJFWSA-N 2 0 255.406 1.269 10 0 CDAERP C([NH2+]C1CC1)[C@H]1CC[C@@H](CN2CC[C@H]([NH+]3CCCC3)C2)O1 ZINC000062972802 518398987 /nfs/dbraw/zinc/39/89/87/518398987.db2.gz QUDVNSZYFPNIBA-BBWFWOEESA-N 2 0 293.455 1.456 10 0 CDAERP CC(C)(C)[C@H](C[NH3+])N1CC[NH+](C2CCCC2)CC1 ZINC000052060336 518958452 /nfs/dbraw/zinc/95/84/52/518958452.db2.gz PSBPFRIJQRSCDU-AWEZNQCLSA-N 2 0 253.434 1.920 10 0 CDAERP CC(C)CN(CC[NH+](C)C)[C@@]1(C[NH3+])CCCSC1 ZINC000061590260 519716872 /nfs/dbraw/zinc/71/68/72/519716872.db2.gz FDGTVWMLCWTSOD-CQSZACIVSA-N 2 0 273.490 1.731 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)[C@H]2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000055160922 519724974 /nfs/dbraw/zinc/72/49/74/519724974.db2.gz WKPGLFISMMSNPB-HOTGVXAUSA-N 2 0 295.471 1.942 10 0 CDAERP CC(C)C[NH2+]CCCN1CC[NH+](CC(C)C)CC1 ZINC000055075842 519743685 /nfs/dbraw/zinc/74/36/85/519743685.db2.gz MGABSUGXAAKFCC-UHFFFAOYSA-N 2 0 255.450 1.896 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C(C)C)N1CCC[N@H+](C)CC1 ZINC000052424057 519744350 /nfs/dbraw/zinc/74/43/50/519744350.db2.gz WOLCAFBHRBQUGL-HNNXBMFYSA-N 2 0 255.450 1.894 10 0 CDAERP CC(C)[C@@H](CN(C)C)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000049197562 519793880 /nfs/dbraw/zinc/79/38/80/519793880.db2.gz WATJRQNLENDMTI-UKRRQHHQSA-N 2 0 255.450 1.893 10 0 CDAERP CC(C)[C@@H]1CC[C@H]([NH3+])[C@H](C[N@@H+]2CCC[C@@H]2CO)C1 ZINC000054560312 519803417 /nfs/dbraw/zinc/80/34/17/519803417.db2.gz KQEMKBKTQIHTIY-BARDWOONSA-N 2 0 254.418 1.843 10 0 CDAERP CCC[NH+]1CCN(C(=O)[C@H]2CCC[C@H](CC[NH3+])C2)CC1 ZINC000055146083 519856643 /nfs/dbraw/zinc/85/66/43/519856643.db2.gz XQYNOICLYFJWQS-CABCVRRESA-N 2 0 281.444 1.696 10 0 CDAERP CCC[NH+]1CCN(Cc2occc2C[NH2+]C)CC1 ZINC000052421836 519859199 /nfs/dbraw/zinc/85/91/99/519859199.db2.gz LNJZOXMUKWKRKU-UHFFFAOYSA-N 2 0 251.374 1.527 10 0 CDAERP CCC[NH2+]CC1(CN2CCC[C@@H]2C[NH+](C)C)CCOCC1 ZINC000061653714 519911156 /nfs/dbraw/zinc/91/11/56/519911156.db2.gz KTKKFSKURPZVMQ-MRXNPFEDSA-N 2 0 297.487 1.809 10 0 CDAERP CCC[NH2+]C[C@@H](C)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515252 519920590 /nfs/dbraw/zinc/92/05/90/519920590.db2.gz YAAPDWXYSMHNGX-CQSZACIVSA-N 3 0 255.450 1.896 10 0 CDAERP CC[NH2+]Cc1c(C)nn(C)c1N1CC[NH+](CC(C)C)CC1 ZINC000055080291 519983173 /nfs/dbraw/zinc/98/31/73/519983173.db2.gz GKYMFZYEENJZSP-UHFFFAOYSA-N 2 0 293.459 1.616 10 0 CDAERP CCC[NH2+][C@@](C)(CO)C[C@H](C)N(C)CC[NH+]1CCCC1 ZINC000070337033 520039486 /nfs/dbraw/zinc/03/94/86/520039486.db2.gz FSWMMKGANZUIGE-JKSUJKDBSA-N 2 0 285.476 1.543 10 0 CDAERP CCC[NH2+][C@H](CC)[C@H](C)N1CCN(CC[NH+](C)C)CC1 ZINC000061644037 520070323 /nfs/dbraw/zinc/07/03/23/520070323.db2.gz QYCWMRMBFNXBGU-JKSUJKDBSA-N 2 0 284.492 1.332 10 0 CDAERP CC[NH2+][C@@H](CN1CC[NH+](C(C)(C)C)CC1)C1CC1 ZINC000069074196 520098173 /nfs/dbraw/zinc/09/81/73/520098173.db2.gz IYLPLAYAFYEXAM-AWEZNQCLSA-N 2 0 253.434 1.791 10 0 CDAERP CC[NH2+][C@@H](CN1CC[NH+]([C@@H](C)CC)CC1)C1CC1 ZINC000069075016 520100646 /nfs/dbraw/zinc/10/06/46/520100646.db2.gz YOEKORCUHHEYCX-ZFWWWQNUSA-N 2 0 253.434 1.791 10 0 CDAERP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000236750100 520580263 /nfs/dbraw/zinc/58/02/63/520580263.db2.gz NIJRYKGZNGENMP-RBSFLKMASA-N 2 0 281.444 1.885 10 0 CDAERP CC[NH+](CC)CCc1noc(CCC2CC[NH2+]CC2)n1 ZINC000050927952 520714549 /nfs/dbraw/zinc/71/45/49/520714549.db2.gz WHPLOIHRKSYGAB-UHFFFAOYSA-N 2 0 280.416 1.886 10 0 CDAERP CC[NH+](CC)CCc1ncc([C@@H](C)[NH2+]C)c(C)n1 ZINC000054962794 520714636 /nfs/dbraw/zinc/71/46/36/520714636.db2.gz KNWCERSUEJNILL-LLVKDONJSA-N 2 0 250.390 1.950 10 0 CDAERP CCCCOCC[NH+]1CCN(C[C@@H](C)C[NH3+])CC1 ZINC000049261681 520762086 /nfs/dbraw/zinc/76/20/86/520762086.db2.gz YHALXCGHJMKEAC-AWEZNQCLSA-N 2 0 257.422 1.016 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@H](C[NH3+])C2)CC1 ZINC000055162825 521549134 /nfs/dbraw/zinc/54/91/34/521549134.db2.gz BUESEWWJPFOLMC-LSDHHAIUSA-N 2 0 281.444 1.600 10 0 CDAERP CCC[N@H+](CCO)CC1(C[NH2+]CC(C)C)CCOCC1 ZINC000052182913 521666817 /nfs/dbraw/zinc/66/68/17/521666817.db2.gz YZQWYKHNBPRBII-UHFFFAOYSA-N 2 0 286.460 1.733 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(CCC[C@@](C)([NH3+])C(=O)OC)CC1 ZINC000055070211 522117336 /nfs/dbraw/zinc/11/73/36/522117336.db2.gz ICSFALQXUSWMEN-UKRRQHHQSA-N 2 0 285.432 1.073 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C[C@@]2(C[NH2+]C(C)C)CCOC2)CC1 ZINC000055071797 522123085 /nfs/dbraw/zinc/12/30/85/522123085.db2.gz QYFZNNQJXJHBJT-SJORKVTESA-N 2 0 297.487 1.807 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(Cc2cc[nH+]c(NN)c2)CC1 ZINC000055071338 522127385 /nfs/dbraw/zinc/12/73/85/522127385.db2.gz XSCUAKXJYDUVHH-GFCCVEGCSA-N 2 0 263.389 1.283 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(c2ccnc(C(N)=[NH2+])c2)CC1 ZINC000061814391 522133952 /nfs/dbraw/zinc/13/39/52/522133952.db2.gz MURZBZULNKKWMO-LLVKDONJSA-N 2 0 261.373 1.286 10 0 CDAERP C[NH2+]Cc1cn(CC[N@@H+]2CCC[C@H]2C2CCCC2)nn1 ZINC000052517612 522142257 /nfs/dbraw/zinc/14/22/57/522142257.db2.gz LGUKLHKFJWFQID-HNNXBMFYSA-N 2 0 277.416 1.652 10 0 CDAERP C[NH2+][C@H]1CCCC[C@H]1CN1CCC[C@@H]1C[NH+](C)C ZINC000061653657 522489925 /nfs/dbraw/zinc/48/99/25/522489925.db2.gz GIZHJMQSNAZVPE-ZNMIVQPWSA-N 2 0 253.434 1.791 10 0 CDAERP C[NH2+][C@H]1CCCCCC[C@@H]1N1CCN(CC[NH+](C)C)CC1 ZINC000061643845 522490069 /nfs/dbraw/zinc/49/00/69/522490069.db2.gz GUEAEHOVUSYHEY-IRXDYDNUSA-N 2 0 296.503 1.476 10 0 CDAERP COC1CC[NH+](C[C@H]2CC[C@@H](C[NH2+]C3CC3)O2)CC1 ZINC000052455435 522705926 /nfs/dbraw/zinc/70/59/26/522705926.db2.gz MTHOZIBYGUHJMY-LSDHHAIUSA-N 2 0 268.401 1.397 10 0 CDAERP CC[C@H]1CC[C@@H](O)[C@H]([NH+]2CCN(CC[NH+](C)C)CC2)C1 ZINC000061652706 523186008 /nfs/dbraw/zinc/18/60/08/523186008.db2.gz PHSHPEPIGQRWLQ-ARFHVFGLSA-N 2 0 283.460 1.105 10 0 CDAERP COCCC[N@H+](CCOC)C[C@@H](C)C[NH2+]C1CC1 ZINC000052543219 523254897 /nfs/dbraw/zinc/25/48/97/523254897.db2.gz QFSJJUDMFHCNSD-ZDUSSCGKSA-N 2 0 258.406 1.359 10 0 CDAERP CC[C@@H]1CC[C@@H]([NH3+])[C@H](N2CCN(CC[NH+](C)C)CC2)C1 ZINC000061643876 523352484 /nfs/dbraw/zinc/35/24/84/523352484.db2.gz ROWVKALLDWSOLB-BZUAXINKSA-N 2 0 282.476 1.072 10 0 CDAERP COCC[NH+](CCOC)C[C@H](C)C[NH2+]CC(C)C ZINC000052571375 523717185 /nfs/dbraw/zinc/71/71/85/523717185.db2.gz LNRCOEOFGLBQBR-CQSZACIVSA-N 2 0 260.422 1.463 10 0 CDAERP COCC[N@H+](C[C@H](C)C[NH2+]C1CC1)[C@@H](C)COC ZINC000052572299 523733426 /nfs/dbraw/zinc/73/34/26/523733426.db2.gz DOJWOQSSXISJEO-OLZOCXBDSA-N 2 0 258.406 1.358 10 0 CDAERP CC[C@H](C)[N@H+](C)CCn1cc(C[NH2+]C(C)C)nn1 ZINC000052444175 523922955 /nfs/dbraw/zinc/92/29/55/523922955.db2.gz XWUABSQFXVHJJI-LBPRGKRZSA-N 2 0 253.394 1.506 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000055077829 523950276 /nfs/dbraw/zinc/95/02/76/523950276.db2.gz OXRISZKCTSNEGO-STQMWFEESA-N 2 0 253.390 1.071 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)c2cccc(C[NH3+])c2)CC1 ZINC000055064284 523951665 /nfs/dbraw/zinc/95/16/65/523951665.db2.gz BQQCCWSXLPVXRX-ZDUSSCGKSA-N 2 0 275.396 1.702 10 0 CDAERP CC[C@H](C)[NH+]1CCN(CC[NH2+]C[C@@H]2CCOC2)CC1 ZINC000055075455 523954272 /nfs/dbraw/zinc/95/42/72/523954272.db2.gz DQAGOBXHNLCBHO-GJZGRUSLSA-N 2 0 269.433 1.029 10 0 CDAERP CCc1ccc([C@@H](C[NH3+])N2CCN(CC[NH+](C)C)CC2)o1 ZINC000061643129 524028191 /nfs/dbraw/zinc/02/81/91/524028191.db2.gz PJJZPXNFRWRIEC-OAHLLOKOSA-N 2 0 294.443 1.021 10 0 CDAERP C[C@@H]1CCC[C@@H](C(=O)NCC[NH+]2CCCCC2)[NH2+]1 ZINC000049575579 524266766 /nfs/dbraw/zinc/26/67/66/524266766.db2.gz XSZNLYFZWJCMAR-OLZOCXBDSA-N 2 0 253.390 1.119 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050943211 524327673 /nfs/dbraw/zinc/32/76/73/524327673.db2.gz KTBKTKZSGWOZLC-CABCVRRESA-N 2 0 281.444 1.899 10 0 CDAERP C[C@H]1CC[C@@H](C(=O)NCC[NH+]2CCCCC2)C[C@@H]1[NH3+] ZINC000055138338 524332451 /nfs/dbraw/zinc/33/24/51/524332451.db2.gz LLDBWXYBCJWFJJ-MJBXVCDLSA-N 2 0 267.417 1.352 10 0 CDAERP C[C@H]1CC[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2C)C[C@@H]1[NH3+] ZINC000055138622 524381950 /nfs/dbraw/zinc/38/19/50/524381950.db2.gz LCNOIMYVPMIEPW-XUXIUFHCSA-N 2 0 267.417 1.350 10 0 CDAERP C[C@@H](CC[NH2+]C(C)(C)C)N1CC[NH+](C2CC2)CC1 ZINC000052371442 524498630 /nfs/dbraw/zinc/49/86/30/524498630.db2.gz CUXBZJVJVOFQDP-ZDUSSCGKSA-N 2 0 253.434 1.933 10 0 CDAERP C[C@@H]1CC[C@@H](C(=O)NCC[NH+]2CCCCC2)C[C@@H]1[NH3+] ZINC000055138336 524558609 /nfs/dbraw/zinc/55/86/09/524558609.db2.gz LLDBWXYBCJWFJJ-MCIONIFRSA-N 2 0 267.417 1.352 10 0 CDAERP C[C@@H](C[NH2+]C1CC1)CN1CC[NH+](C(C)(C)C)CC1 ZINC000052571604 524732816 /nfs/dbraw/zinc/73/28/16/524732816.db2.gz YYMRCQZIMOYOAU-ZDUSSCGKSA-N 2 0 253.434 1.791 10 0 CDAERP C[C@@H](C[NH2+]C[C@@H]1CCCO1)N1CCC[C@@H]1C[NH+](C)C ZINC000061655059 524739250 /nfs/dbraw/zinc/73/92/50/524739250.db2.gz VSBCMJLNOKGOEG-ZNMIVQPWSA-N 2 0 269.433 1.170 10 0 CDAERP Cc1cnn(CC[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000336833449 526261403 /nfs/dbraw/zinc/26/14/03/526261403.db2.gz ZMLJHIHYQYDJNO-UHFFFAOYSA-N 2 0 276.428 1.999 10 0 CDAERP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247044234 526373376 /nfs/dbraw/zinc/37/33/76/526373376.db2.gz SXRGVRKOBKSPRV-DKUMPPAJSA-N 2 0 277.412 1.214 10 0 CDAERP Cc1nc(N2CCN(CC[NH+](C)C)CC2)sc1[C@H](C)[NH3+] ZINC000061655500 526969218 /nfs/dbraw/zinc/96/92/18/526969218.db2.gz DCLASGAADOCAMS-NSHDSACASA-N 2 0 297.472 1.155 10 0 CDAERP Cc1nc(N2CC[NH+](CC3CC3)CC2)sc1C[NH3+] ZINC000055002443 526969819 /nfs/dbraw/zinc/96/98/19/526969819.db2.gz FETVSVJMWSGPDF-UHFFFAOYSA-N 2 0 266.414 1.442 10 0 CDAERP [NH3+]C[C@@H]1CC[C@H](C[NH+]2CCN(c3ccc(F)cc3)CC2)O1 ZINC000052418215 527220029 /nfs/dbraw/zinc/22/00/29/527220029.db2.gz QIYLRQWYAFSIHT-JKSUJKDBSA-N 2 0 293.386 1.454 10 0 CDAERP [NH3+]Cc1cn(CC[N@@H+]2CCC[C@H]2C2CCCC2)nn1 ZINC000052517635 527261724 /nfs/dbraw/zinc/26/17/24/527261724.db2.gz LGZXHZDKMXXNIL-AWEZNQCLSA-N 2 0 263.389 1.391 10 0 CDAERP [NH3+][C@H]1CCC[C@@H](CC(=O)N[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000055123572 527402876 /nfs/dbraw/zinc/40/28/76/527402876.db2.gz VFLBUQNXJBWKSX-KWCYVHTRSA-N 2 0 265.401 1.104 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1ccc(C[NH+](C)C)nc1 ZINC000426780564 535021840 /nfs/dbraw/zinc/02/18/40/535021840.db2.gz TVXIEDPSESRMJM-ZDUSSCGKSA-N 2 0 292.427 1.602 10 0 CDAERP CCCC[C@H](C[NH3+])NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000418446005 535027524 /nfs/dbraw/zinc/02/75/24/535027524.db2.gz NNFRPVLTHKVNPA-ZIAGYGMSSA-N 2 0 280.416 1.160 10 0 CDAERP CC(C)[C@H](Cn1cccn1)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423274900 535045964 /nfs/dbraw/zinc/04/59/64/535045964.db2.gz MMEJLDQHYMLFHP-GJZGRUSLSA-N 2 0 264.417 1.887 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C2CC2)[C@@H]2CNCCO2)C1 ZINC000422746975 535175913 /nfs/dbraw/zinc/17/59/13/535175913.db2.gz XUTYJQFCFVMNQU-HYVNUMGLSA-N 2 0 295.471 1.463 10 0 CDAERP C(CC[NH+]1CCOCC1)C[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000348076493 538172570 /nfs/dbraw/zinc/17/25/70/538172570.db2.gz DKBPQWZGYPWMGU-LSDHHAIUSA-N 2 0 252.402 1.877 10 0 CDAERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCC(C)=O)C1 ZINC000746676177 576788777 /nfs/dbraw/zinc/78/87/77/576788777.db2.gz UBVBWXLHCQPTHY-CQSZACIVSA-N 2 0 256.390 1.398 10 0 CDAERP CC[C@H](F)C[N@H+](C)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001689834607 1175280445 /nfs/dbraw/zinc/28/04/45/1175280445.db2.gz RECCFOMTIGEIBF-AWEZNQCLSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001689875961 1175293299 /nfs/dbraw/zinc/29/32/99/1175293299.db2.gz JWAQDQYFBWLCCT-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)CC[C@H](C)F ZINC001689969645 1175325363 /nfs/dbraw/zinc/32/53/63/1175325363.db2.gz MNMWKVQNDGAWGU-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP CCC(=O)N1CC[C@@H]([NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000925556810 617507804 /nfs/dbraw/zinc/50/78/04/617507804.db2.gz ABFNQKOHCBFAOV-RJZRQDKASA-N 2 0 279.428 1.364 10 0 CDAERP CCC(=O)N1CC[C@H]([NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925560532 617511608 /nfs/dbraw/zinc/51/16/08/617511608.db2.gz MSJYFMVNQOLFLE-AGIUHOORSA-N 2 0 267.417 1.493 10 0 CDAERP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925624605 617571865 /nfs/dbraw/zinc/57/18/65/617571865.db2.gz YMWMMBFXCSGUGO-CMXYNOPPSA-N 2 0 266.429 1.760 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](O)CCc2ccccc2)C12CCC2 ZINC000925647549 617591411 /nfs/dbraw/zinc/59/14/11/617591411.db2.gz DFEVMZMMNPIIHN-BZUAXINKSA-N 2 0 274.408 1.840 10 0 CDAERP CC[NH+](CC)CCCN1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931287535 617690049 /nfs/dbraw/zinc/69/00/49/617690049.db2.gz QEDVZNCQZXPAPO-UHFFFAOYSA-N 2 0 297.487 1.905 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@H]2CCC[C@H](C3CC3)C2)CC1 ZINC000925810934 617753945 /nfs/dbraw/zinc/75/39/45/617753945.db2.gz CEGQEHNTQIAKAF-HOCLYGCPSA-N 2 0 265.445 1.968 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000924606250 617782043 /nfs/dbraw/zinc/78/20/43/617782043.db2.gz CAZPOGWBRUUKRY-QDSSRZTBSA-N 2 0 272.392 1.920 10 0 CDAERP CC1(C)C[C@@H]([NH2+]C2CCN([C@@H]3CCOC3)CC2)C[C@@H]([NH3+])C1 ZINC000925705778 617789144 /nfs/dbraw/zinc/78/91/44/617789144.db2.gz IDVHSZKQZMYUGD-VNQPRFMTSA-N 2 0 295.471 1.735 10 0 CDAERP COC[C@H](CC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)OC ZINC000925714454 617824989 /nfs/dbraw/zinc/82/49/89/617824989.db2.gz RHHSANIGROUFMR-ARFHVFGLSA-N 2 0 284.444 1.796 10 0 CDAERP CC(C)(C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)CS(C)(=O)=O ZINC000925834096 617860979 /nfs/dbraw/zinc/86/09/79/617860979.db2.gz WAXPYCXHNUIJDJ-VXGBXAGGSA-N 2 0 290.473 1.553 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CCCN1CC(F)(F)F ZINC000925835146 617864591 /nfs/dbraw/zinc/86/45/91/617864591.db2.gz MVQCAIMBVLIHHO-NWDGAFQWSA-N 2 0 297.365 1.357 10 0 CDAERP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925844675 617877612 /nfs/dbraw/zinc/87/76/12/617877612.db2.gz ZRANTVKSOPUMRE-IIAWOOMASA-N 2 0 281.444 1.755 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(OC)c(OC)c1C ZINC000925876524 617949576 /nfs/dbraw/zinc/94/95/76/617949576.db2.gz AKZTXRSTUJZKJF-AWEZNQCLSA-N 2 0 296.411 1.856 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCC[NH+]1CCCC1(C)C ZINC000926556658 618064373 /nfs/dbraw/zinc/06/43/73/618064373.db2.gz ZTUZMQNITDQZGT-YIONKMFJSA-N 2 0 265.445 1.791 10 0 CDAERP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2CCC2(OC)OC)CC1 ZINC000924948378 618368742 /nfs/dbraw/zinc/36/87/42/618368742.db2.gz CPRUQWBDYBJDHN-LSDHHAIUSA-N 2 0 299.459 1.001 10 0 CDAERP CC(C)[C@@H]1COCC[C@@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000924964250 618463115 /nfs/dbraw/zinc/46/31/15/618463115.db2.gz AFHAGPXTXMULKB-IRXDYDNUSA-N 2 0 297.487 1.665 10 0 CDAERP CC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)OCCCO1 ZINC000817926568 618490482 /nfs/dbraw/zinc/49/04/82/618490482.db2.gz NGYUHKPRQWHYHB-MELADBBJSA-N 2 0 268.401 1.650 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCOC12CCCCC2 ZINC000924989841 618551046 /nfs/dbraw/zinc/55/10/46/618551046.db2.gz DSBHPBNWNDPQLQ-HZPDHXFCSA-N 2 0 295.471 1.704 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCN1C(C)(C)C ZINC000895888916 619885944 /nfs/dbraw/zinc/88/59/44/619885944.db2.gz ZAHPNVDBIMCAOX-NWDGAFQWSA-N 2 0 253.390 1.070 10 0 CDAERP C(NC1CC[NH+](C2CC2)CC1)[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927104164 621708012 /nfs/dbraw/zinc/70/80/12/621708012.db2.gz WMSFFFBYLLHLKC-QGZVFWFLSA-N 2 0 293.455 1.456 10 0 CDAERP O=C(C1CC[NH+](C2CC2)CC1)N1CC([NH+]2CCCC2)C1 ZINC000898605664 621816008 /nfs/dbraw/zinc/81/60/08/621816008.db2.gz ZFDKAVCQQLQOPH-UHFFFAOYSA-N 2 0 277.412 1.167 10 0 CDAERP C[C@@H](NC(=[NH2+])NCCCC[NH+]1CCOCC1)C1CC1 ZINC000899265424 622130152 /nfs/dbraw/zinc/13/01/52/622130152.db2.gz BNDZKBAMYGBDIE-GFCCVEGCSA-N 2 0 268.405 1.011 10 0 CDAERP O=C(NCCC[NH+]1CCCCC1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000899991594 622608471 /nfs/dbraw/zinc/60/84/71/622608471.db2.gz SNQNEQMWVUXFKZ-HZPDHXFCSA-N 2 0 293.455 1.996 10 0 CDAERP Cc1cn(C(C)(C)C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)cn1 ZINC000900666449 623345815 /nfs/dbraw/zinc/34/58/15/623345815.db2.gz VDDWKAWYCBWLQO-AWEZNQCLSA-N 2 0 290.411 1.622 10 0 CDAERP C1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C2(C1)CCOCC2 ZINC000902467663 624858953 /nfs/dbraw/zinc/85/89/53/624858953.db2.gz QZSLTFDXXDKXGI-XJFOESAGSA-N 2 0 250.386 1.818 10 0 CDAERP C1CCC([C@@H]2C[NH2+]CC[C@H]2N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC000902469654 624863071 /nfs/dbraw/zinc/86/30/71/624863071.db2.gz ZTKJJKWQHGANMP-DGADGQDISA-N 2 0 263.429 1.637 10 0 CDAERP CO[C@]1(C[NH2+]C2CC[NH+](CC3CC3)CC2)CCSC1 ZINC000903309770 625969902 /nfs/dbraw/zinc/96/99/02/625969902.db2.gz HNAXQJIWKWYKEH-HNNXBMFYSA-N 2 0 284.469 1.973 10 0 CDAERP COc1ccc(C[N@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)cc1O ZINC000903433210 625990943 /nfs/dbraw/zinc/99/09/43/625990943.db2.gz UWYXMLOVMNROQU-YPMHNXCESA-N 2 0 264.369 1.960 10 0 CDAERP Cn1cc(C[C@H]2CCC[C@H]2[NH2+]C[C@H]2CCC[NH2+]2)cn1 ZINC000903463626 625996533 /nfs/dbraw/zinc/99/65/33/625996533.db2.gz HDCDMIWCMIMSJR-RBSFLKMASA-N 2 0 262.401 1.473 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(N(C)CC(F)F)CC1 ZINC000903444912 625998723 /nfs/dbraw/zinc/99/87/23/625998723.db2.gz DZIMIHNTEMUCHE-NEPJUHHUSA-N 2 0 275.387 1.503 10 0 CDAERP COC(=O)C(C)(C)C[N@H+](CC(C)C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903481475 626006001 /nfs/dbraw/zinc/00/60/01/626006001.db2.gz CXTTUJVVSLYOBY-KGLIPLIRSA-N 2 0 284.444 1.999 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCCCCF)C2 ZINC000903493547 626011126 /nfs/dbraw/zinc/01/11/26/626011126.db2.gz UWLUGSACOMUQKY-SCRDCRAPSA-N 2 0 272.364 1.339 10 0 CDAERP C[C@@H]1C[N@@H+]([C@H](C(N)=O)c2ccccc2)C[C@H]1CC[NH3+] ZINC000903496123 626011793 /nfs/dbraw/zinc/01/17/93/626011793.db2.gz GRTJBVGZVDOPIX-BNOWGMLFSA-N 2 0 261.369 1.130 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)NCCC2CCCCC2)C[C@H]1CC[NH3+] ZINC000903496820 626012042 /nfs/dbraw/zinc/01/20/42/626012042.db2.gz FWGOQAGHJSETSF-GDBMZVCRSA-N 2 0 295.471 1.990 10 0 CDAERP C[C@@H]1C[N@H+](Cc2cn(-c3ccccc3)nn2)C[C@H]1CC[NH3+] ZINC000903497077 626012154 /nfs/dbraw/zinc/01/21/54/626012154.db2.gz PAHMXFJXFCVYRI-ZIAGYGMSSA-N 2 0 285.395 1.684 10 0 CDAERP CC[NH+](CC)CCCN1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903541730 626016441 /nfs/dbraw/zinc/01/64/41/626016441.db2.gz WTOLOQILDNUCAP-NEPJUHHUSA-N 2 0 281.366 1.930 10 0 CDAERP C[C@]1([C@H]2CCC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)COC(=O)N1 ZINC000903562001 626019939 /nfs/dbraw/zinc/01/99/39/626019939.db2.gz UNPXCFVSLWLQKI-VNHYZAJKSA-N 2 0 281.400 1.197 10 0 CDAERP COc1ccc([C@H](C[NH3+])CN2C[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000903556803 626024598 /nfs/dbraw/zinc/02/45/98/626024598.db2.gz FKFPSTFKWAOUDL-HIFRSBDPSA-N 2 0 277.412 1.407 10 0 CDAERP C(C[N@@H+]1CCCSC[C@@H]1C1CC1)N1CC[NH2+]CC1 ZINC000903827499 626105734 /nfs/dbraw/zinc/10/57/34/626105734.db2.gz UPZCSKQSDFCRSS-CQSZACIVSA-N 2 0 269.458 1.109 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@H+](C)[C@@H]2CCSC2)cnn1C ZINC000903880241 626130519 /nfs/dbraw/zinc/13/05/19/626130519.db2.gz OUGQPXUNLPDDAY-TZMCWYRMSA-N 2 0 282.457 1.283 10 0 CDAERP C[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)C[C@H]1CCCOC1 ZINC000903892327 626132597 /nfs/dbraw/zinc/13/25/97/626132597.db2.gz QRKLVUFRWUFMCY-ZIAGYGMSSA-N 2 0 293.415 1.061 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@H+](C)C[C@@H]2CCCCO2)cnn1C ZINC000903887055 626134247 /nfs/dbraw/zinc/13/42/47/626134247.db2.gz WYQJAVHTLINGBE-ZBFHGGJFSA-N 2 0 294.443 1.347 10 0 CDAERP CCC1([NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)CCC1 ZINC000903901950 626139343 /nfs/dbraw/zinc/13/93/43/626139343.db2.gz BMRQXJQKPDQOBY-GFCCVEGCSA-N 2 0 263.389 1.625 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])CNCC2([NH3+])CCCCC2)cnn1C ZINC000903915376 626146131 /nfs/dbraw/zinc/14/61/31/626146131.db2.gz BMXKKNMPKUYJTN-AWEZNQCLSA-N 2 0 293.459 1.097 10 0 CDAERP CC[C@H]([NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1)[C@H]1CCCO1 ZINC000903923252 626147954 /nfs/dbraw/zinc/14/79/54/626147954.db2.gz OXVDMUNEQBJXOV-AEGPPILISA-N 2 0 293.415 1.250 10 0 CDAERP CCC(CC)[C@H](O)C[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903922970 626148163 /nfs/dbraw/zinc/14/81/63/626148163.db2.gz IPKFSFNRQWRTCF-DZGCQCFKSA-N 2 0 295.431 1.089 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CC[C@H](C3CCC3)C2)cnn1C ZINC000903930018 626150932 /nfs/dbraw/zinc/15/09/32/626150932.db2.gz QELJNORSDUCKGQ-HOCLYGCPSA-N 2 0 290.455 1.968 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000903974486 626169070 /nfs/dbraw/zinc/16/90/70/626169070.db2.gz ORPOSEUOKTWAAB-VXGBXAGGSA-N 2 0 293.377 1.848 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000903974099 626169132 /nfs/dbraw/zinc/16/91/32/626169132.db2.gz LONZHTBJZKXBLG-UKRRQHHQSA-N 2 0 289.427 1.412 10 0 CDAERP Cc1ccc2ncc(C[NH2+]CC[C@@H]3C[NH2+]C[C@H]3C)n2c1 ZINC000903974760 626169244 /nfs/dbraw/zinc/16/92/44/626169244.db2.gz ROMKTOLLXJEVRO-ZIAGYGMSSA-N 2 0 272.396 1.978 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCCC(C)C)C2 ZINC000903977047 626170074 /nfs/dbraw/zinc/17/00/74/626170074.db2.gz HQOTUGDPXRDJOJ-GUTXKFCHSA-N 2 0 268.401 1.635 10 0 CDAERP C1=C(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)COCC1 ZINC000903980020 626170356 /nfs/dbraw/zinc/17/03/56/626170356.db2.gz COBQNFMVQDPKFO-CALCHBBNSA-N 2 0 291.439 1.234 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000903966780 626172259 /nfs/dbraw/zinc/17/22/59/626172259.db2.gz CADHPYMJLCKFFG-XBVQOTNRSA-N 2 0 273.424 1.925 10 0 CDAERP CC[NH+](CC)CCNC(=[NH2+])NC[C@@H]1CCCS1 ZINC000905041558 626380928 /nfs/dbraw/zinc/38/09/28/626380928.db2.gz KFSGQBPBEDAENN-NSHDSACASA-N 2 0 258.435 1.338 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CNC(=[NH2+])NC[C@H]2CCCS2)C1 ZINC000905043709 626382774 /nfs/dbraw/zinc/38/27/74/626382774.db2.gz YJNPJNHWPKEWQK-QWHCGFSZSA-N 2 0 284.473 1.726 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000906651983 627357829 /nfs/dbraw/zinc/35/78/29/627357829.db2.gz FBNQYUCODDBUHI-HOCLYGCPSA-N 2 0 293.455 1.804 10 0 CDAERP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)C[C@@H]2C1 ZINC000911829737 629559730 /nfs/dbraw/zinc/55/97/30/629559730.db2.gz UREMNPTZEZLCAM-QKPAOTATSA-N 2 0 291.439 1.413 10 0 CDAERP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@]1(C)C[NH+]2CCC1CC2 ZINC000912375644 629973994 /nfs/dbraw/zinc/97/39/94/629973994.db2.gz IVIVLUAGYNECNT-WBMJQRKESA-N 2 0 281.444 1.754 10 0 CDAERP C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)[C@H]1CCC[N@@H+]1C ZINC000912649169 630126054 /nfs/dbraw/zinc/12/60/54/630126054.db2.gz PRUDPIBLKIVYSF-RRFJBIMHSA-N 2 0 281.444 1.802 10 0 CDAERP C[N@H+](CC(=O)N1CCC([NH+]2CCC2)CC1)[C@H]1CCSC1 ZINC000912876909 630261679 /nfs/dbraw/zinc/26/16/79/630261679.db2.gz QZGMPCPWPISDRA-AWEZNQCLSA-N 2 0 297.468 1.120 10 0 CDAERP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]C[C@@H](O)C2CC2)C1 ZINC000840745874 630692913 /nfs/dbraw/zinc/69/29/13/630692913.db2.gz PYTIFPZRWOEWET-UMVBOHGHSA-N 2 0 254.418 1.715 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NC23CC[NH+](CC2)C3)C1 ZINC000913634660 630721340 /nfs/dbraw/zinc/72/13/40/630721340.db2.gz YMJTWIICYFWEPN-HNNXBMFYSA-N 2 0 283.391 1.163 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=S)NCCC[NH+](C)C ZINC000916001753 631883575 /nfs/dbraw/zinc/88/35/75/631883575.db2.gz DLUXKDJXSYCALY-ZDUSSCGKSA-N 2 0 286.489 1.277 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CNC(=S)N[C@@H]1CCC[NH+](C)C1 ZINC000918718867 632428380 /nfs/dbraw/zinc/42/83/80/632428380.db2.gz HUVWKLKHLVHUFJ-OLZOCXBDSA-N 2 0 284.473 1.029 10 0 CDAERP C[C@H](CNC(=O)N[C@@H]1CCC[N@H+](C)C1)[NH+]1CCCCC1 ZINC000919654534 632649238 /nfs/dbraw/zinc/64/92/38/632649238.db2.gz NPOJDJLSYBXKSK-ZIAGYGMSSA-N 2 0 282.432 1.254 10 0 CDAERP CC[N@@H+]1CC[C@H](CN[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925478637 632735427 /nfs/dbraw/zinc/73/54/27/632735427.db2.gz VUJZQDYKVMGALU-MGPQQGTHSA-N 2 0 253.434 1.824 10 0 CDAERP C[NH+](C)CCCCC(=O)NC[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001691166177 1158941143 /nfs/dbraw/zinc/94/11/43/1158941143.db2.gz OGMXSPKNUVEQGM-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP CN(C[C@H]1CC[N@@H+]1CC1CC1)C(=O)C[NH+]1CCCC1 ZINC001691416649 1159063336 /nfs/dbraw/zinc/06/33/36/1159063336.db2.gz NWDJXPVEGAOWBR-CQSZACIVSA-N 2 0 265.401 1.025 10 0 CDAERP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001649460935 1158590744 /nfs/dbraw/zinc/59/07/44/1158590744.db2.gz BTDYEMCEIHWVNN-NHQLZKDQSA-N 2 0 281.444 1.731 10 0 CDAERP COCC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C(C)C ZINC001267501375 1159419305 /nfs/dbraw/zinc/41/93/05/1159419305.db2.gz QSUBDHAUCISMRP-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCCO)C[C@@H]1C ZINC001671255822 1159712160 /nfs/dbraw/zinc/71/21/60/1159712160.db2.gz AAAJCCGWIVYFFK-LSDHHAIUSA-N 2 0 299.459 1.070 10 0 CDAERP COCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001670868400 1160990907 /nfs/dbraw/zinc/99/09/07/1160990907.db2.gz NQTIORKESGELNH-CQSZACIVSA-N 2 0 297.443 1.134 10 0 CDAERP CC1(C)[C@H]([NH3+])C[C@@H]1c1nc(C2([NH3+])CCCC2)no1 ZINC000871787535 1165345973 /nfs/dbraw/zinc/34/59/73/1165345973.db2.gz ZXBCTYTVDSJKCF-RKDXNWHRSA-N 2 0 250.346 1.638 10 0 CDAERP CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001568338995 1168107775 /nfs/dbraw/zinc/10/77/75/1168107775.db2.gz LHQHDIVNOQNZBH-ZIAGYGMSSA-N 2 0 269.433 1.469 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001565831516 1168177417 /nfs/dbraw/zinc/17/74/17/1168177417.db2.gz IKPRUWYLXHAKRK-JKSUJKDBSA-N 2 0 293.455 1.827 10 0 CDAERP CC(C)C[NH2+]CC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC001647233210 1168475513 /nfs/dbraw/zinc/47/55/13/1168475513.db2.gz ZRCQKIXLJDUVPS-UHFFFAOYSA-N 2 0 279.359 1.656 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC001647244043 1168484689 /nfs/dbraw/zinc/48/46/89/1168484689.db2.gz OTMDTTVWLBRWDT-HUUCEWRRSA-N 2 0 279.428 1.495 10 0 CDAERP CC(C)[NH2+]C/C=C/CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001568870839 1169527304 /nfs/dbraw/zinc/52/73/04/1169527304.db2.gz GSRPAZCEYLJYLS-ONEGZZNKSA-N 2 0 279.428 1.533 10 0 CDAERP COCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001569540468 1169917285 /nfs/dbraw/zinc/91/72/85/1169917285.db2.gz AHZQWQDZEXMBDB-GJZGRUSLSA-N 2 0 297.443 1.086 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]CCCF)C(C)(C)C1 ZINC001571563582 1170478588 /nfs/dbraw/zinc/47/85/88/1170478588.db2.gz MQYLCGZVWHGEQB-GFCCVEGCSA-N 2 0 273.396 1.124 10 0 CDAERP COCC[NH2+]C1CC(N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001571659080 1170513363 /nfs/dbraw/zinc/51/33/63/1170513363.db2.gz WWURWTMGCBMRQI-SHARSMKWSA-N 2 0 297.443 1.086 10 0 CDAERP CCC[NH2+][C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1CC1 ZINC001661182973 1172349479 /nfs/dbraw/zinc/34/94/79/1172349479.db2.gz PKZUILONTGDPQJ-QWHCGFSZSA-N 2 0 255.406 1.221 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC2)C1)[NH+](C)C ZINC001661678345 1172425596 /nfs/dbraw/zinc/42/55/96/1172425596.db2.gz IQQOVFPITWQQBW-MJBXVCDLSA-N 2 0 267.417 1.364 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCCF)C1 ZINC001662577946 1172561540 /nfs/dbraw/zinc/56/15/40/1172561540.db2.gz IYTLDXOKBCWBLF-KBPBESRZSA-N 2 0 285.407 1.411 10 0 CDAERP CC[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC(C)C ZINC001665872050 1173078162 /nfs/dbraw/zinc/07/81/62/1173078162.db2.gz NQKZWRMGQRHOCC-UONOGXRCSA-N 2 0 269.433 1.469 10 0 CDAERP CC[NH2+]C[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001666568121 1173154071 /nfs/dbraw/zinc/15/40/71/1173154071.db2.gz IJUYOOIKTNOYFV-ZDUSSCGKSA-N 2 0 267.417 1.224 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001666902019 1173205128 /nfs/dbraw/zinc/20/51/28/1173205128.db2.gz ALKSBGQVILEOGE-RRFJBIMHSA-N 2 0 283.460 1.809 10 0 CDAERP C[NH+](C)CC1(C(=O)NC/C=C\C[NH2+]CC2CCCC2)CC1 ZINC001669001232 1173492508 /nfs/dbraw/zinc/49/25/08/1173492508.db2.gz NBHUSFVXBTYXFQ-WAYWQWQTSA-N 2 0 293.455 1.780 10 0 CDAERP C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](C)[NH2+]CC1CCC1 ZINC001674721558 1173997720 /nfs/dbraw/zinc/99/77/20/1173997720.db2.gz IQAAJEKDHHOSFS-CHWSQXEVSA-N 2 0 269.433 1.611 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@H]1C[NH+](CC)CC1(C)C ZINC001675480544 1174117542 /nfs/dbraw/zinc/11/75/42/1174117542.db2.gz QOERIUQZKUNTLV-ZDUSSCGKSA-N 2 0 269.433 1.565 10 0 CDAERP COCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001690336888 1175442391 /nfs/dbraw/zinc/44/23/91/1175442391.db2.gz WKTULHQUYOMQEK-QLFBSQMISA-N 2 0 297.443 1.133 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC2CC2)[C@@H]1C)[NH+](C)C ZINC001692221264 1175705338 /nfs/dbraw/zinc/70/53/38/1175705338.db2.gz JADQPXGOQLLGKW-KWCYVHTRSA-N 2 0 267.417 1.316 10 0 CDAERP CCC[NH2+]CC1(NC(=O)[C@@H]2CCCC[N@@H+]2C)CCCC1 ZINC001698635507 1175880750 /nfs/dbraw/zinc/88/07/50/1175880750.db2.gz BCUJXJAAIUCURU-AWEZNQCLSA-N 2 0 281.444 1.899 10 0 CDAERP CC(C)[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCCC1 ZINC001698805195 1175936084 /nfs/dbraw/zinc/93/60/84/1175936084.db2.gz SGPPIHVXAQOYPL-UHFFFAOYSA-N 2 0 267.417 1.509 10 0 CDAERP COCCC[NH2+][C@@H](CNC(=O)C1CC[NH+](C)CC1)C(C)C ZINC001698972012 1176001800 /nfs/dbraw/zinc/00/18/00/1176001800.db2.gz MBVRBFKAMDUFLS-HNNXBMFYSA-N 2 0 299.459 1.095 10 0 CDAERP CC(C)[C@@H](C(=O)NC/C=C\C[NH2+]C/C=C/Cl)[NH+](C)C ZINC001699269797 1176189349 /nfs/dbraw/zinc/18/93/49/1176189349.db2.gz GOALPPNBCQIWFL-LWMBRLLVSA-N 2 0 287.835 1.587 10 0 CDAERP C[C@H](C[NH2+]CCC(F)(F)F)NC(=O)C1([NH+](C)C)CCC1 ZINC001699365248 1176320837 /nfs/dbraw/zinc/32/08/37/1176320837.db2.gz FXPHAYDJNXPGEI-SNVBAGLBSA-N 2 0 295.349 1.517 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]CC[C@H]1CCOC1)[NH+](C)C ZINC001699366464 1176321887 /nfs/dbraw/zinc/32/18/87/1176321887.db2.gz LTPYYAQRSPAQCU-ILXRZTDVSA-N 2 0 299.459 1.094 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CCCF)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001699740926 1176599376 /nfs/dbraw/zinc/59/93/76/1176599376.db2.gz SJALRFHDJLJVFX-ZIAGYGMSSA-N 2 0 297.418 1.411 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCCF)C[C@@H]1C ZINC001699742397 1176600686 /nfs/dbraw/zinc/60/06/86/1176600686.db2.gz GZYKBCDUSITZQG-UONOGXRCSA-N 2 0 287.423 1.655 10 0 CDAERP CC(C)C[NH2+]C1(C)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001700282426 1176831069 /nfs/dbraw/zinc/83/10/69/1176831069.db2.gz QTCIHQKGCAGVQP-UHFFFAOYSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)NC2CC(C[NH2+]CCF)C2)CC1 ZINC001700380879 1176887179 /nfs/dbraw/zinc/88/71/79/1176887179.db2.gz WWGFDVXETMMNDI-UHFFFAOYSA-N 2 0 299.434 1.561 10 0 CDAERP CC/C=C/CC[NH2+][C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001700793856 1177135828 /nfs/dbraw/zinc/13/58/28/1177135828.db2.gz BKBCZMDGFUHFJD-NFAHFFEMSA-N 2 0 293.455 1.875 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CC(C)C ZINC001707450646 1178053345 /nfs/dbraw/zinc/05/33/45/1178053345.db2.gz DDLFHYNYNUBVSP-MRXNPFEDSA-N 2 0 295.471 1.812 10 0 CDAERP CCC[N@H+](C)CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001712963564 1178272490 /nfs/dbraw/zinc/27/24/90/1178272490.db2.gz YFOPLUHSXGRCFI-UHFFFAOYSA-N 2 0 269.433 1.709 10 0 CDAERP COCC[N@H+](C)CCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001712982935 1178285449 /nfs/dbraw/zinc/28/54/49/1178285449.db2.gz TZEWIVBWPLWJBT-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@H](C)C[N@H+](CC)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001713027633 1178311997 /nfs/dbraw/zinc/31/19/97/1178311997.db2.gz AYIJGHXFCPIJHH-HNNXBMFYSA-N 2 0 295.471 1.957 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001713244660 1178450179 /nfs/dbraw/zinc/45/01/79/1178450179.db2.gz SJWJCYFQTVHYFN-GJZGRUSLSA-N 2 0 283.460 1.811 10 0 CDAERP CCOCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001713390682 1178532617 /nfs/dbraw/zinc/53/26/17/1178532617.db2.gz ZLAMYCNKENKGMW-CABCVRRESA-N 2 0 297.443 1.040 10 0 CDAERP C[N@H+](CCNC(=O)C[NH+]1CCCC1)CCC(C)(C)C ZINC001713477447 1178590540 /nfs/dbraw/zinc/59/05/40/1178590540.db2.gz QABSPGWJAIRZTP-UHFFFAOYSA-N 2 0 269.433 1.566 10 0 CDAERP CCOCC[NH2+]CCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001713641138 1178692674 /nfs/dbraw/zinc/69/26/74/1178692674.db2.gz KNPSCAPUEKFXQT-HNNXBMFYSA-N 2 0 299.459 1.335 10 0 CDAERP CCCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001714074699 1178960799 /nfs/dbraw/zinc/96/07/99/1178960799.db2.gz SCKYOTZXOQGEMF-LSDHHAIUSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@H](C)C[NH2+][C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001714269687 1179056644 /nfs/dbraw/zinc/05/66/44/1179056644.db2.gz HQZYXNYQIKVYSW-QWHCGFSZSA-N 2 0 269.433 1.469 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]CC1CC(C)C1 ZINC001714309272 1179078463 /nfs/dbraw/zinc/07/84/63/1179078463.db2.gz NREDSPMDMXXSEH-ROKHWSDSSA-N 2 0 269.433 1.467 10 0 CDAERP CC(C)[C@@H](C(=O)NC[C@@H](C)C[NH2+]CCF)[NH+]1CCCC1 ZINC001714452287 1179146349 /nfs/dbraw/zinc/14/63/49/1179146349.db2.gz HTCAZRAGCUMAAO-KBPBESRZSA-N 2 0 287.423 1.418 10 0 CDAERP C[NH+](C)C1(C(=O)NCCC[C@H]2CCC[N@@H+]2CCF)CCC1 ZINC001714520493 1179181528 /nfs/dbraw/zinc/18/15/28/1179181528.db2.gz QRRFHLZBABSRQD-AWEZNQCLSA-N 2 0 299.434 1.801 10 0 CDAERP C[N@H+](CCCCCF)CCNC(=O)C1CC[NH+](C)CC1 ZINC001714558817 1179214512 /nfs/dbraw/zinc/21/45/12/1179214512.db2.gz DBWVAPHXOBMHDU-UHFFFAOYSA-N 2 0 287.423 1.516 10 0 CDAERP CCC[NH2+]CCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001714781967 1179395010 /nfs/dbraw/zinc/39/50/10/1179395010.db2.gz ZAYYFMLMUUCCKW-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]CCC1CC1 ZINC001714878710 1179426941 /nfs/dbraw/zinc/42/69/41/1179426941.db2.gz HMIWHROPFHYUMO-ZDUSSCGKSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001715016513 1179510850 /nfs/dbraw/zinc/51/08/50/1179510850.db2.gz DRWCBJXWXRSVAG-CQSZACIVSA-N 2 0 267.417 1.437 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001715018152 1179511861 /nfs/dbraw/zinc/51/18/61/1179511861.db2.gz HIGGJTAZEUTXHB-HNNXBMFYSA-N 2 0 293.455 1.827 10 0 CDAERP CC/C=C\CC[NH2+][C@@H](CC)CNC(=O)C12CC[NH+](CC1)C2 ZINC001715086409 1179546617 /nfs/dbraw/zinc/54/66/17/1179546617.db2.gz RJQONIORKHCNNY-YVACAVLKSA-N 2 0 293.455 1.923 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001715228942 1179586497 /nfs/dbraw/zinc/58/64/97/1179586497.db2.gz JFVATCYLTXFVQR-ZBFHGGJFSA-N 2 0 293.455 1.636 10 0 CDAERP C[C@@H]([NH2+]CCCF)[C@H]1CCCN(C(=O)Cc2cnc[nH]2)C1 ZINC001715316855 1179619358 /nfs/dbraw/zinc/61/93/58/1179619358.db2.gz SUBFZOBYOBUFDM-OLZOCXBDSA-N 2 0 296.390 1.529 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCF ZINC001715332045 1179629490 /nfs/dbraw/zinc/62/94/90/1179629490.db2.gz WEVDFTVRVWZTCA-OLZOCXBDSA-N 2 0 273.396 1.265 10 0 CDAERP O=C(CCn1ccnc1)N1CCCC[C@@H]1CC[NH2+]CCF ZINC001715447774 1179668974 /nfs/dbraw/zinc/66/89/74/1179668974.db2.gz XXKALNAQKKGBCM-CQSZACIVSA-N 2 0 296.390 1.604 10 0 CDAERP C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)[C@@H]1C[NH2+]CCF ZINC001715476422 1179676856 /nfs/dbraw/zinc/67/68/56/1179676856.db2.gz PZBJAGJHNPKUPU-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP CCC[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C(C)C ZINC001715505008 1179687579 /nfs/dbraw/zinc/68/75/79/1179687579.db2.gz JXIOSLAJYPTJEY-ZDUSSCGKSA-N 2 0 255.406 1.223 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC/C=C/C[NH2+][C@H](C)COC)CC[N@@H+]1C ZINC001715816846 1179842926 /nfs/dbraw/zinc/84/29/26/1179842926.db2.gz IZVVQRWIZPXIBC-VNOZKIMMSA-N 2 0 297.443 1.014 10 0 CDAERP CC(C)CC[NH2+]C/C=C\CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001715874180 1179888720 /nfs/dbraw/zinc/88/87/20/1179888720.db2.gz OIECDHPVZUXOIH-FOSCPCJNSA-N 2 0 281.444 1.636 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NC/C=C\C[NH2+]CCC2CC2)C1 ZINC001715909053 1179908544 /nfs/dbraw/zinc/90/85/44/1179908544.db2.gz OTLPAKZAOPZMFQ-PYLYLYNFSA-N 2 0 265.401 1.000 10 0 CDAERP C[C@H](C[NH2+]CCC1CC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001715930621 1179924199 /nfs/dbraw/zinc/92/41/99/1179924199.db2.gz XHLHPACRKJRRIK-YRGRVCCFSA-N 2 0 267.417 1.221 10 0 CDAERP C[C@@H](C[NH2+]CCC1CC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001715978516 1179960066 /nfs/dbraw/zinc/96/00/66/1179960066.db2.gz XHLHPACRKJRRIK-OUCADQQQSA-N 2 0 267.417 1.221 10 0 CDAERP CCN(CC[NH2+]CCC1CC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001716254160 1180121362 /nfs/dbraw/zinc/12/13/62/1180121362.db2.gz WSAUJJYBHPFUOM-AWEZNQCLSA-N 2 0 267.417 1.176 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC1CCC1 ZINC001716294251 1180145960 /nfs/dbraw/zinc/14/59/60/1180145960.db2.gz SIXCFELFCWHROO-MJSXRHKHSA-N 2 0 293.455 1.921 10 0 CDAERP CC[C@@H](C[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C)OC ZINC001716332917 1180157435 /nfs/dbraw/zinc/15/74/35/1180157435.db2.gz OKTPHPCQEZCWLX-KXLSMFKISA-N 2 0 297.443 1.158 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC/C=C/C[NH2+]CC2CC2)C1 ZINC001716333778 1180159228 /nfs/dbraw/zinc/15/92/28/1180159228.db2.gz DXRQSNZEORDYKD-QDLOVBKTSA-N 2 0 293.455 1.780 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001716395010 1180183561 /nfs/dbraw/zinc/18/35/61/1180183561.db2.gz AMHFLSFQZALISR-MGPQQGTHSA-N 2 0 267.417 1.387 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001716443865 1180213232 /nfs/dbraw/zinc/21/32/32/1180213232.db2.gz NLZQJXRKCKRBKL-AWEZNQCLSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]CCC1CC1 ZINC001716465582 1180225863 /nfs/dbraw/zinc/22/58/63/1180225863.db2.gz CTLVYFVYPGVNTC-LBPRGKRZSA-N 2 0 255.406 1.221 10 0 CDAERP CC(C)[NH2+]CCC[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001717670110 1180782268 /nfs/dbraw/zinc/78/22/68/1180782268.db2.gz AQWKYBAIVYERGX-ZDUSSCGKSA-N 2 0 269.433 1.754 10 0 CDAERP CCCC[NH2+][C@@H](C)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001717749731 1180826884 /nfs/dbraw/zinc/82/68/84/1180826884.db2.gz JGWJHBHMAWAFMZ-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001717880196 1180909434 /nfs/dbraw/zinc/90/94/34/1180909434.db2.gz ZWAZOCKTQHUUHI-OLZOCXBDSA-N 2 0 255.406 1.223 10 0 CDAERP C[C@H](CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC1CC1 ZINC001725501838 1182027861 /nfs/dbraw/zinc/02/78/61/1182027861.db2.gz BTEBJXUJFJZVDF-CHWSQXEVSA-N 2 0 267.417 1.175 10 0 CDAERP CC(C)OCCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001725570748 1182053915 /nfs/dbraw/zinc/05/39/15/1182053915.db2.gz XXKSMBQIWMPWOH-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)OCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001725582506 1182060733 /nfs/dbraw/zinc/06/07/33/1182060733.db2.gz BJALPYWDRRWKDA-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@H+](C)CCC)C1 ZINC001725603298 1182070278 /nfs/dbraw/zinc/07/02/78/1182070278.db2.gz ZOGAFHDMXRPYLQ-KBPBESRZSA-N 2 0 269.433 1.707 10 0 CDAERP CCC[NH2+]C[C@@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)C ZINC001725759434 1182124442 /nfs/dbraw/zinc/12/44/42/1182124442.db2.gz WUVNVJVYMOAARA-CYBMUJFWSA-N 2 0 271.449 1.857 10 0 CDAERP C[N@H+](CCCF)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001731250740 1182276148 /nfs/dbraw/zinc/27/61/48/1182276148.db2.gz NXEKMMMDCPJMMQ-CYBMUJFWSA-N 2 0 273.396 1.268 10 0 CDAERP CC(C)C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001731332927 1182326142 /nfs/dbraw/zinc/32/61/42/1182326142.db2.gz BQJSYWNITOENDV-GDBMZVCRSA-N 2 0 295.471 1.953 10 0 CDAERP CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)C1CC1 ZINC001731410409 1182370158 /nfs/dbraw/zinc/37/01/58/1182370158.db2.gz DXLSFVHYVWKLEX-KGLIPLIRSA-N 2 0 267.417 1.365 10 0 CDAERP CC/C=C\CC[NH2+][C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001731633886 1182492159 /nfs/dbraw/zinc/49/21/59/1182492159.db2.gz OTWWUNFMRWGVNJ-WSNITJDQSA-N 2 0 279.428 1.533 10 0 CDAERP CC(C)=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001731718613 1182529497 /nfs/dbraw/zinc/52/94/97/1182529497.db2.gz DNEBYMOGCYVYOO-HOTGVXAUSA-N 2 0 293.455 1.827 10 0 CDAERP CC/C=C\CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CN(C)CCO1 ZINC001731724142 1182532449 /nfs/dbraw/zinc/53/24/49/1182532449.db2.gz AITUZQXZTYUXLM-JGUVHBTRSA-N 2 0 297.443 1.158 10 0 CDAERP CC[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]CC=C(C)C ZINC001732206786 1182856188 /nfs/dbraw/zinc/85/61/88/1182856188.db2.gz CAFSLGRPRIVGNC-AWEZNQCLSA-N 2 0 281.444 1.779 10 0 CDAERP CC(C)CCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001732336567 1182912814 /nfs/dbraw/zinc/91/28/14/1182912814.db2.gz GLEYKUIYVPVYDB-CABCVRRESA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001732370254 1182931943 /nfs/dbraw/zinc/93/19/43/1182931943.db2.gz PPSNLJXLXDSVBU-UONOGXRCSA-N 2 0 269.433 1.326 10 0 CDAERP CC(C)[NH+]1CC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001732403623 1182942088 /nfs/dbraw/zinc/94/20/88/1182942088.db2.gz JPCDLPRNWUBJTC-UHFFFAOYSA-N 2 0 267.417 1.271 10 0 CDAERP C[C@@H](C[NH2+]CCCF)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001732422132 1182958274 /nfs/dbraw/zinc/95/82/74/1182958274.db2.gz FMSJFUUDQSNJDA-LBPRGKRZSA-N 2 0 273.396 1.267 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCF)C1CCCCC1 ZINC001732475322 1182983443 /nfs/dbraw/zinc/98/34/43/1182983443.db2.gz LFZZRJRAKVUVPV-GJZGRUSLSA-N 2 0 299.434 1.705 10 0 CDAERP CC(C)=CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001732557361 1183008928 /nfs/dbraw/zinc/00/89/28/1183008928.db2.gz VVEIXCLQTHIQOT-GJZGRUSLSA-N 2 0 281.444 1.777 10 0 CDAERP CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001732709268 1183094754 /nfs/dbraw/zinc/09/47/54/1183094754.db2.gz UWOBQYIPPBCAKA-ZIAGYGMSSA-N 2 0 269.433 1.611 10 0 CDAERP CC1CC(C[NH2+]C/C=C\CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001732861443 1183162283 /nfs/dbraw/zinc/16/22/83/1183162283.db2.gz LUECMJCLXGWOFW-PLNGDYQASA-N 2 0 293.455 1.779 10 0 CDAERP CC[NH2+]C/C=C\CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001732899436 1183176977 /nfs/dbraw/zinc/17/69/77/1183176977.db2.gz JNOKKUMKJBXYJM-FPLPWBNLSA-N 2 0 255.406 1.246 10 0 CDAERP CC[NH2+]C/C=C/CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001732941704 1183192414 /nfs/dbraw/zinc/19/24/14/1183192414.db2.gz WHQSNAZNAGWFQW-AATRIKPKSA-N 2 0 275.396 1.644 10 0 CDAERP CC[NH2+]C/C=C\CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001732943265 1183192675 /nfs/dbraw/zinc/19/26/75/1183192675.db2.gz NYPZYQVCNPXCRX-IDTUSYRASA-N 2 0 281.444 1.779 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001733008894 1183232321 /nfs/dbraw/zinc/23/23/21/1183232321.db2.gz BETPASYSZZWNLO-RYUDHWBXSA-N 2 0 273.396 1.171 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N(C)CCC[NH2+]CCCF)C1 ZINC001733127030 1183300566 /nfs/dbraw/zinc/30/05/66/1183300566.db2.gz WROSYSDIHHRJGY-ZDUSSCGKSA-N 2 0 273.396 1.126 10 0 CDAERP CCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001733528612 1183457443 /nfs/dbraw/zinc/45/74/43/1183457443.db2.gz NSMWYLLKXHFKDN-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H](CCC[NH2+]CCF)NC(=O)CC1CC[NH+](C)CC1 ZINC001734255737 1183705583 /nfs/dbraw/zinc/70/55/83/1183705583.db2.gz XASDSDWRGDBPFY-ZDUSSCGKSA-N 2 0 287.423 1.562 10 0 CDAERP CCC[NH2+]C[C@H](NC(=O)C1CC[NH+](C)CC1)C(C)(C)C ZINC001734569662 1183828926 /nfs/dbraw/zinc/82/89/26/1183828926.db2.gz IZIVTCCGAIZOHT-AWEZNQCLSA-N 2 0 283.460 1.859 10 0 CDAERP C[NH+](C)CCCNC(=O)[C@@H]1[NH2+]CC[C@H]2CCCC[C@H]21 ZINC000312074980 1186694930 /nfs/dbraw/zinc/69/49/30/1186694930.db2.gz PQENCAGIKFFEGQ-MGPQQGTHSA-N 2 0 267.417 1.223 10 0 CDAERP OCCCOCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423104997 1186724395 /nfs/dbraw/zinc/72/43/95/1186724395.db2.gz HZRSFCVHOUIFDU-RBSFLKMASA-N 2 0 270.417 1.286 10 0 CDAERP [NH3+]CCOc1cccc(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC001771738459 1186852731 /nfs/dbraw/zinc/85/27/31/1186852731.db2.gz AWZZXDFWAHKBPZ-KBPBESRZSA-N 2 0 277.368 1.480 10 0 CDAERP CCOCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+](C)C ZINC001490799624 1164856772 /nfs/dbraw/zinc/85/67/72/1164856772.db2.gz IABZVOAZQSXOGR-GASCZTMLSA-N 2 0 297.443 1.040 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001691740029 1166853341 /nfs/dbraw/zinc/85/33/41/1166853341.db2.gz GMCYDDWAIGNDGV-MCIONIFRSA-N 2 0 269.433 1.469 10 0 CDAERP CC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC001640948991 1167062858 /nfs/dbraw/zinc/06/28/58/1167062858.db2.gz WRVLFQSWVLQTIX-HZSPNIEDSA-N 2 0 267.417 1.412 10 0 CDAERP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](O)C2(O)CCCC2)C1 ZINC000929751191 837392111 /nfs/dbraw/zinc/39/21/11/837392111.db2.gz YBQGIVCCXFBIRC-GJZGRUSLSA-N 2 0 284.444 1.316 10 0 CDAERP C[NH+](C)CCCC1CC[NH+](CCO[C@@H]2CCOC2)CC1 ZINC000930143811 837474119 /nfs/dbraw/zinc/47/41/19/837474119.db2.gz AMLMEUCQYBRCRF-MRXNPFEDSA-N 2 0 284.444 1.846 10 0 CDAERP CCN1CC[NH+](CCCCNC(=[NH2+])NCCC2CC2)CC1 ZINC000864450892 837499233 /nfs/dbraw/zinc/49/92/33/837499233.db2.gz DIQIQHAUIYACOW-UHFFFAOYSA-N 2 0 295.475 1.318 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N1CC[C@@H](CC[NH+](C)C)C1 ZINC001644473377 1167320101 /nfs/dbraw/zinc/32/01/01/1167320101.db2.gz VUVMZCWBZRIJLD-UONOGXRCSA-N 2 0 269.433 1.374 10 0 CDAERP CC(C)[N@H+](C)CCCNC(=O)C12CCC[NH+]1CCC2 ZINC000352505406 1167320596 /nfs/dbraw/zinc/32/05/96/1167320596.db2.gz BHMNKNMQIFAYMO-UHFFFAOYSA-N 2 0 267.417 1.461 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1ccc(Cl)nc1 ZINC000706696205 837576017 /nfs/dbraw/zinc/57/60/17/837576017.db2.gz AAGLIKIWDBESBJ-UHFFFAOYSA-N 2 0 257.765 1.403 10 0 CDAERP CC1(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)OCCCO1 ZINC000248980607 837695428 /nfs/dbraw/zinc/69/54/28/837695428.db2.gz FLVJRACKNPKMSX-STQMWFEESA-N 2 0 254.374 1.356 10 0 CDAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC[C@@H]1CC(=O)N(C)C1 ZINC000723551997 837720550 /nfs/dbraw/zinc/72/05/50/837720550.db2.gz KFNWJARNPUFYFT-RBSFLKMASA-N 2 0 281.444 1.755 10 0 CDAERP CCC[C@H](C)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000708140235 837785805 /nfs/dbraw/zinc/78/58/05/837785805.db2.gz HBSQUCZGBLGERX-YVECIDJPSA-N 2 0 255.406 1.206 10 0 CDAERP CC1CC[NH+](CCCCNC(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852859340 837800506 /nfs/dbraw/zinc/80/05/06/837800506.db2.gz RRSKOSAVQAJOBC-UHFFFAOYSA-N 2 0 293.455 1.925 10 0 CDAERP O=C1N[C@H](C2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)CO1 ZINC000923525066 837827550 /nfs/dbraw/zinc/82/75/50/837827550.db2.gz CVRPTQXFJNUYPW-JSGCOSHPSA-N 2 0 281.400 1.197 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC[C@@H]1CC[C@H]2C[C@H]21 ZINC000925803961 835795793 /nfs/dbraw/zinc/79/57/93/835795793.db2.gz BGUJQZQIGRMGCW-LZXPERKUSA-N 2 0 252.402 1.765 10 0 CDAERP CC(C)CC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000720900893 835808238 /nfs/dbraw/zinc/80/82/38/835808238.db2.gz RYDARCNABFNRKX-MELADBBJSA-N 2 0 267.417 1.445 10 0 CDAERP C[C@H](CSC(C)(C)C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925809053 835829369 /nfs/dbraw/zinc/82/93/69/835829369.db2.gz HLVZPSFQAJLTQS-GFCCVEGCSA-N 2 0 273.490 1.919 10 0 CDAERP Cc1ccc2c(ccc(C)c2CNC(C[NH3+])C[NH3+])c1 ZINC000923355908 835835287 /nfs/dbraw/zinc/83/52/87/835835287.db2.gz FREJNKYJWZHONR-UHFFFAOYSA-N 2 0 257.381 1.832 10 0 CDAERP C[NH+](C)C1(C(=O)NC2CC([NH+]3CCCCC3)C2)CCC1 ZINC000794207121 835858324 /nfs/dbraw/zinc/85/83/24/835858324.db2.gz UCPTUGRXBFIURI-UHFFFAOYSA-N 2 0 279.428 1.604 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCC12CCOCC2 ZINC000925804065 835862157 /nfs/dbraw/zinc/86/21/57/835862157.db2.gz YXVQAHFAQULCMK-MCIONIFRSA-N 2 0 252.402 1.781 10 0 CDAERP CC1(C)[C@H]([NH2+][C@H]2CC[C@H](CO)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925614778 835879825 /nfs/dbraw/zinc/87/98/25/835879825.db2.gz KPHCKZHNGOKIBE-ARILJUKYSA-N 2 0 266.429 1.904 10 0 CDAERP C(C1CC1)[NH+]1CCC([NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000866445700 835892070 /nfs/dbraw/zinc/89/20/70/835892070.db2.gz AWCNVSPYZGMOST-XSIBGMEISA-N 2 0 276.424 1.874 10 0 CDAERP C[NH2+]CCC1CC[NH+](C[C@@H]2C[C@H]3COC[C@H]3O2)CC1 ZINC000724578345 835901850 /nfs/dbraw/zinc/90/18/50/835901850.db2.gz PKEOGGCXYHGAKJ-SOUVJXGZSA-N 2 0 268.401 1.112 10 0 CDAERP C[C@H]1C[C@H](N(C)C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC[N@@H+]1C ZINC000870893144 835903997 /nfs/dbraw/zinc/90/39/97/835903997.db2.gz QKHLCGMLOBLTLC-ARUSPNSKSA-N 2 0 265.401 1.055 10 0 CDAERP C[NH+](C)C1(CNC(=O)[C@H]2C[NH2+]CC2(C)C)CCCC1 ZINC000711279856 835909872 /nfs/dbraw/zinc/90/98/72/835909872.db2.gz YTIZTNNLMRIWJI-GFCCVEGCSA-N 2 0 267.417 1.223 10 0 CDAERP CNC(=O)c1ccc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000923496113 835916362 /nfs/dbraw/zinc/91/63/62/835916362.db2.gz GRQYHVIMKSEYCK-SWLSCSKDSA-N 2 0 275.396 1.463 10 0 CDAERP C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)C1 ZINC000923498410 835945087 /nfs/dbraw/zinc/94/50/87/835945087.db2.gz HSUAFLMDZXRXOR-RDBSUJKOSA-N 2 0 267.417 1.162 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C[C@H](O)c2ccc(F)cn2)CC[N@@H+]1C ZINC000799305606 835965693 /nfs/dbraw/zinc/96/56/93/835965693.db2.gz HDKMZCYWDXMNIH-ZLDLUXBVSA-N 2 0 281.375 1.669 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000813437463 836002287 /nfs/dbraw/zinc/00/22/87/836002287.db2.gz XXTQPROGURIWNL-CZUORRHYSA-N 2 0 299.434 1.752 10 0 CDAERP C[C@H]1CNC[C@H]([NH2+]C2CCC(C)([NH+](C)C)CC2)C1 ZINC000715572681 836020882 /nfs/dbraw/zinc/02/08/82/836020882.db2.gz MEPIHZQIDYDRAB-FEWQNLEASA-N 3 0 253.434 1.837 10 0 CDAERP Cc1cc(N2CCC[C@H]([NH+]3CCCC3)C2)nc(N)[nH+]1 ZINC000382500272 836051000 /nfs/dbraw/zinc/05/10/00/836051000.db2.gz RMTHQQJPWJPNIE-LBPRGKRZSA-N 2 0 261.373 1.262 10 0 CDAERP CC[NH+]1CCN(CC(C)(C)[NH2+]CCC(OC)OC)CC1 ZINC000852148125 836093155 /nfs/dbraw/zinc/09/31/55/836093155.db2.gz OUYUYNWTRHEVGD-UHFFFAOYSA-N 2 0 287.448 1.001 10 0 CDAERP C[C@H]1[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@@H+]1C ZINC000925341616 836212378 /nfs/dbraw/zinc/21/23/78/836212378.db2.gz DZNCFRAKBCGPAG-WQKZHXONSA-N 2 0 294.443 1.346 10 0 CDAERP C[C@@H](CCC1CC1)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925854709 836223948 /nfs/dbraw/zinc/22/39/48/836223948.db2.gz JPOQFFAFVQVCDH-GXTWGEPZSA-N 2 0 280.412 1.840 10 0 CDAERP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925839112 836313370 /nfs/dbraw/zinc/31/33/70/836313370.db2.gz FVRSWEDJJDYIHN-BYNSBNAKSA-N 3 0 251.418 1.496 10 0 CDAERP C[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)[C@H]1CCCOC1 ZINC000925844407 836352842 /nfs/dbraw/zinc/35/28/42/836352842.db2.gz LDMBWGQGFKRVAA-CVEARBPZSA-N 2 0 283.460 1.467 10 0 CDAERP C[N@H+](CCc1cccs1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923316398 836354009 /nfs/dbraw/zinc/35/40/09/836354009.db2.gz ILMAZUXMPYJQBZ-GFCCVEGCSA-N 2 0 266.410 1.601 10 0 CDAERP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc2c(c1)COC2 ZINC000925809065 836419401 /nfs/dbraw/zinc/41/94/01/836419401.db2.gz HTZINPRSTUAPSQ-ZDUSSCGKSA-N 2 0 289.423 1.791 10 0 CDAERP Cn1nnc2c1C[C@@H]([NH2+][C@@H]1[C@@H]3CCC[NH2+][C@@H]3C1(C)C)CC2 ZINC000925893865 836456862 /nfs/dbraw/zinc/45/68/62/836456862.db2.gz RNRPFKILDBWLCY-IDTSFGKNSA-N 2 0 289.427 1.039 10 0 CDAERP CCOC(=O)CC(C)(C)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000838862068 836502567 /nfs/dbraw/zinc/50/25/67/836502567.db2.gz DAGXHDHXHOKVQY-VXGBXAGGSA-N 2 0 254.374 1.117 10 0 CDAERP Cc1cc([C@@H]([NH3+])CC(=O)NC(C)(C)CC[NH3+])cc(Cl)n1 ZINC000817858869 836511606 /nfs/dbraw/zinc/51/16/06/836511606.db2.gz CIVFERZTCNEZMZ-NSHDSACASA-N 2 0 298.818 1.677 10 0 CDAERP CCNC(=O)C(C)(C)C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925607398 836557833 /nfs/dbraw/zinc/55/78/33/836557833.db2.gz PEVRNAFRMSBSKJ-LSDHHAIUSA-N 2 0 295.471 1.907 10 0 CDAERP CCS(=O)(=O)CCC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925693690 836794421 /nfs/dbraw/zinc/79/44/21/836794421.db2.gz UKFJJDWGJIMCMH-VXGBXAGGSA-N 2 0 276.446 1.307 10 0 CDAERP COCC(COC)[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000931684817 836810492 /nfs/dbraw/zinc/81/04/92/836810492.db2.gz VOIIOKPDCATZPN-ZDUSSCGKSA-N 2 0 279.384 1.254 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCC[C@@H]2CCOC2=O)C1 ZINC000925731577 836814556 /nfs/dbraw/zinc/81/45/56/836814556.db2.gz UJPNNBPQTVFORT-JHJVBQTASA-N 2 0 268.401 1.825 10 0 CDAERP Cc1n[nH]cc1[C@H](C)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925845363 836835172 /nfs/dbraw/zinc/83/51/72/836835172.db2.gz PPQHCSSOFQUADU-ZDUSSCGKSA-N 2 0 279.432 1.444 10 0 CDAERP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000379608289 836884972 /nfs/dbraw/zinc/88/49/72/836884972.db2.gz XZYSXROEOMTDEF-BZUAXINKSA-N 2 0 282.428 1.070 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+]C[C@@]2(C)CCCS2)CC1 ZINC000862271443 836965130 /nfs/dbraw/zinc/96/51/30/836965130.db2.gz PMTUUJRBIOCHDF-HUUCEWRRSA-N 2 0 285.501 1.888 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCSCCCO ZINC000924979585 837020329 /nfs/dbraw/zinc/02/03/29/837020329.db2.gz LWMMXUUGQWTCJI-FUNVUKJBSA-N 2 0 258.431 1.032 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2)CC[C@@H]1C[NH3+] ZINC000122310324 837041735 /nfs/dbraw/zinc/04/17/35/837041735.db2.gz RGOCYLNHGIWFJP-CHWSQXEVSA-N 2 0 261.369 1.542 10 0 CDAERP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCC1SCCS1 ZINC000854231538 837042337 /nfs/dbraw/zinc/04/23/37/837042337.db2.gz JZIHDHINHHFQPN-HBNTYKKESA-N 2 0 276.471 1.525 10 0 CDAERP CCCCCC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870024300 837065510 /nfs/dbraw/zinc/06/55/10/837065510.db2.gz XXXZZOJPQBBLGF-HUUCEWRRSA-N 2 0 283.460 1.765 10 0 CDAERP CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872292785 837075404 /nfs/dbraw/zinc/07/54/04/837075404.db2.gz RFQQEOXROQGKFI-KEYYUXOJSA-N 2 0 293.455 1.837 10 0 CDAERP CC/C(C)=C(/C)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870021183 837086651 /nfs/dbraw/zinc/08/66/51/837086651.db2.gz BXWAQJNQOFUDGS-DAIQMCTGSA-N 2 0 295.471 1.931 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000718056404 837168583 /nfs/dbraw/zinc/16/85/83/837168583.db2.gz ZRAXDDXGRDMKBG-SYQHCUMBSA-N 2 0 265.401 1.199 10 0 CDAERP CC(C)(C[NH2+][C@@H]1CCCN2CCCC[C@H]12)[C@@]1(O)CCOC1 ZINC000926635002 837171465 /nfs/dbraw/zinc/17/14/65/837171465.db2.gz BAMAXRDXHHVELJ-BFYDXBDKSA-N 2 0 296.455 1.771 10 0 CDAERP C[C@H]1[C@@H](NC(=O)NC2CC[NH+](C3CCC3)CC2)CC[N@@H+]1C ZINC000922768693 837175702 /nfs/dbraw/zinc/17/57/02/837175702.db2.gz KWJDDHTYBLYUEL-WFASDCNBSA-N 2 0 294.443 1.395 10 0 CDAERP OCc1c[nH+]ccc1N1CC[NH+](C2CCCC2)CC1 ZINC000126488669 837190320 /nfs/dbraw/zinc/19/03/20/837190320.db2.gz GDMXBVUURGAMJO-UHFFFAOYSA-N 2 0 261.369 1.639 10 0 CDAERP C[NH+](C)CCC[C@@H]1C[N@H+](CCC(=O)N2CCCC2)CCO1 ZINC000852761800 837225494 /nfs/dbraw/zinc/22/54/94/837225494.db2.gz BFPYSJSOUZKRPE-OAHLLOKOSA-N 2 0 297.443 1.042 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000926151393 837267749 /nfs/dbraw/zinc/26/77/49/837267749.db2.gz UGQUOEJBDBWWAY-DLBZAZTESA-N 2 0 297.487 1.951 10 0 CDAERP C[N@H+](CCCCCC[NH3+])CCOC1CCOCC1 ZINC000710820274 837275958 /nfs/dbraw/zinc/27/59/58/837275958.db2.gz VYANEGQDWGRKQL-UHFFFAOYSA-N 2 0 258.406 1.633 10 0 CDAERP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)C[C@@H]1CCC(=O)N1 ZINC000926646278 837278145 /nfs/dbraw/zinc/27/81/45/837278145.db2.gz WYOHEYDRYJUORV-KBPBESRZSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)[C@@H]1COCC[C@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000924579071 837308091 /nfs/dbraw/zinc/30/80/91/837308091.db2.gz USRGTYAKGGZNKR-JKSUJKDBSA-N 2 0 283.460 1.275 10 0 CDAERP Cc1cc([C@H]([NH3+])CC(=O)NC[C@H]([NH3+])C(C)C)cc(Cl)n1 ZINC000841848523 837311800 /nfs/dbraw/zinc/31/18/00/837311800.db2.gz LAJLAESOUAMPJL-NEPJUHHUSA-N 2 0 298.818 1.533 10 0 CDAERP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000713007170 837345419 /nfs/dbraw/zinc/34/54/19/837345419.db2.gz DXICEWNVEHDOMD-CQSZACIVSA-N 2 0 283.460 1.844 10 0 CDAERP Cc1ccc([C@@H](O)C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925658130 837362574 /nfs/dbraw/zinc/36/25/74/837362574.db2.gz GWESEWYQZFFYCA-KKUMJFAQSA-N 2 0 260.381 1.888 10 0 CDAERP C[C@@H]1C[N@H+](Cc2ccc(-n3ccnc3)nc2)CC[C@H]1C[NH3+] ZINC000923500786 837852600 /nfs/dbraw/zinc/85/26/00/837852600.db2.gz PDCHTWSYDCCTIM-HIFRSBDPSA-N 2 0 285.395 1.684 10 0 CDAERP CCS[C@@H]1CC[C@@H]([N@H+](C)C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923314403 837862967 /nfs/dbraw/zinc/86/29/67/837862967.db2.gz HAXNLDQAZXRZGY-MGPQQGTHSA-N 2 0 284.469 1.971 10 0 CDAERP [NH3+]CCC[C@H](NC(=O)C=C1CC[NH2+]CC1)c1ccccc1 ZINC000852890416 837885534 /nfs/dbraw/zinc/88/55/34/837885534.db2.gz JWLCGISKBFSHHH-INIZCTEOSA-N 2 0 287.407 1.893 10 0 CDAERP COC1(OC)CC[C@@H]1NCCC[N@@H+]1CCCC[C@H]1C ZINC000711042986 837981961 /nfs/dbraw/zinc/98/19/61/837981961.db2.gz SRQGJNXLLRBDJX-KGLIPLIRSA-N 2 0 270.417 1.992 10 0 CDAERP CC1(C)C[C@H](C[NH+]2CCC([NH2+]CCO)CC2)C(C)(C)O1 ZINC000709701449 838086930 /nfs/dbraw/zinc/08/69/30/838086930.db2.gz FMUOQHGVKBKCIE-CYBMUJFWSA-N 2 0 284.444 1.626 10 0 CDAERP CCCCOC[C@@H](O)CN1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000705683915 838096356 /nfs/dbraw/zinc/09/63/56/838096356.db2.gz ZGESCWVWUHTDPZ-HRCADAONSA-N 2 0 284.444 1.438 10 0 CDAERP C(C1CC[NH+](C[C@H]2CCC3(COC3)O2)CC1)[NH+]1CCCC1 ZINC000929278450 838174621 /nfs/dbraw/zinc/17/46/21/838174621.db2.gz YPOBNPXHRNXYKE-MRXNPFEDSA-N 2 0 294.439 1.742 10 0 CDAERP CC(C)[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)C1CC1 ZINC000925849157 838199115 /nfs/dbraw/zinc/19/91/15/838199115.db2.gz AUDTVNKVEQLYLP-KGLIPLIRSA-N 2 0 280.412 1.696 10 0 CDAERP COC1CC[NH+](CCNC(=[NH2+])NCCC2CC2)CC1 ZINC000864459745 838205396 /nfs/dbraw/zinc/20/53/96/838205396.db2.gz OLAIXOFEUZLUNX-UHFFFAOYSA-N 2 0 268.405 1.011 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+]Cc2ccnc(F)c2)CC1 ZINC000858096906 838220731 /nfs/dbraw/zinc/22/07/31/838220731.db2.gz SCMBVMASBRRULW-UHFFFAOYSA-N 2 0 280.391 1.338 10 0 CDAERP C[NH+](C)C1(C)CCC([NH2+][C@H]2CCNC(=O)CC2)CC1 ZINC000715199888 838772970 /nfs/dbraw/zinc/77/29/70/838772970.db2.gz NKVVFMIRRBVQHX-DNOWBOINSA-N 2 0 267.417 1.508 10 0 CDAERP CN(C(=O)[C@@H](C[NH3+])c1ccc(F)cc1)C1CCC([NH3+])CC1 ZINC000844160637 838829046 /nfs/dbraw/zinc/82/90/46/838829046.db2.gz MMCZFIDFCRMRKY-NRXISQOPSA-N 2 0 293.386 1.596 10 0 CDAERP [NH3+][C@@H]1C[C@@H](NC[C@H]2CCCC[N@@H+]2C2CC2)C12CCC2 ZINC000925652743 838874849 /nfs/dbraw/zinc/87/48/49/838874849.db2.gz SJUXFDDHWPDYNT-RBSFLKMASA-N 2 0 263.429 1.863 10 0 CDAERP CC[C@H](C[C@@H](C)O)[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000866634743 838893741 /nfs/dbraw/zinc/89/37/41/838893741.db2.gz UHCSAJQTPYXESR-FMKPAKJESA-N 2 0 284.444 1.769 10 0 CDAERP COc1ccccc1[C@H](O)C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000817894420 838922115 /nfs/dbraw/zinc/92/21/15/838922115.db2.gz YRKIIIZAHWWCQZ-NQBHXWOUSA-N 2 0 252.358 1.444 10 0 CDAERP Cc1cccc(C[C@H](CO)N[C@@H]2CC[NH2+]C23CCC3)c1 ZINC000925645977 838931482 /nfs/dbraw/zinc/93/14/82/838931482.db2.gz RVSDRYMRNRELBW-HZPDHXFCSA-N 2 0 274.408 1.773 10 0 CDAERP C[C@H](C(=O)Nc1ccccc1)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923504899 839001339 /nfs/dbraw/zinc/00/13/39/839001339.db2.gz VZXVIYIGEBSCFC-MCIONIFRSA-N 2 0 275.396 1.930 10 0 CDAERP C[NH+]1CCN(C(C)(C)C[NH2+]CCc2ccccc2)CC1 ZINC000020200309 839041912 /nfs/dbraw/zinc/04/19/12/839041912.db2.gz GUIOAVVSOXIMNK-UHFFFAOYSA-N 2 0 275.440 1.845 10 0 CDAERP C[NH+](C)C1CCC([NH2+]C[C@@H](O)c2ccc(F)cn2)CC1 ZINC000819374291 839052122 /nfs/dbraw/zinc/05/21/22/839052122.db2.gz KDNSQFDSMMNQBO-SSDMNJCBSA-N 2 0 281.375 1.717 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)C[C@@H](O)c1ccc(F)cc1 ZINC000923402395 839054674 /nfs/dbraw/zinc/05/46/74/839054674.db2.gz GHEURKUTUPSBSS-CQSZACIVSA-N 2 0 270.348 1.027 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCc2cn(C)nn2)[C@H](C)C1 ZINC000859196116 839067425 /nfs/dbraw/zinc/06/74/25/839067425.db2.gz LJZMSOOLNIZHBA-OCCSQVGLSA-N 2 0 265.405 1.020 10 0 CDAERP CCO[C@H](CC[NH+](C)C)CN[C@@H]1CC[NH2+]C12CCC2 ZINC000925542575 839114818 /nfs/dbraw/zinc/11/48/18/839114818.db2.gz PLIZTOFHJNKGHC-ZIAGYGMSSA-N 2 0 269.433 1.217 10 0 CDAERP CC(C)(C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])CS(C)(=O)=O ZINC000723880135 839218946 /nfs/dbraw/zinc/21/89/46/839218946.db2.gz XQCXBENRKCAUKF-NWDGAFQWSA-N 2 0 276.446 1.164 10 0 CDAERP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1cnn(C2CCC2)c1 ZINC000926252053 839379257 /nfs/dbraw/zinc/37/92/57/839379257.db2.gz CGLAYOURVPOLJY-CYBMUJFWSA-N 2 0 280.416 1.837 10 0 CDAERP [NH3+]CC[C@@H]1CC[N@H+](C[C@H]2CC[C@@H](C(F)(F)F)O2)C1 ZINC000721503854 839400820 /nfs/dbraw/zinc/40/08/20/839400820.db2.gz FOMBBJNBIDOBJZ-MXWKQRLJSA-N 2 0 266.307 1.767 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C1CC(C(F)F)C1 ZINC000826902393 839501372 /nfs/dbraw/zinc/50/13/72/839501372.db2.gz KCBJKSQMZHZNDT-HIFPTAJRSA-N 2 0 277.403 1.892 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCCN2CCCC2=O)C1 ZINC000925517661 839520525 /nfs/dbraw/zinc/52/05/25/839520525.db2.gz XRBDHWIFQDMNMM-STQMWFEESA-N 2 0 267.417 1.495 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000924613680 839533967 /nfs/dbraw/zinc/53/39/67/839533967.db2.gz QJXYBKHHUXMILR-XFDYKOMQSA-N 2 0 278.371 1.789 10 0 CDAERP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccnc(F)c2)CC1 ZINC000858126350 839559012 /nfs/dbraw/zinc/55/90/12/839559012.db2.gz YVUWKUKICKUYGF-AWEZNQCLSA-N 2 0 294.418 1.584 10 0 CDAERP C[NH+]1C[C@]2(C)CN(C[C@H]3CC4(CC4)C(=O)O3)C[C@@]2(C)C1 ZINC000931314436 839582581 /nfs/dbraw/zinc/58/25/81/839582581.db2.gz OPUPJRQDLMDSOW-BPLDGKMQSA-N 2 0 278.396 1.356 10 0 CDAERP CC1(C)C[C@@H]([NH2+][C@@H]2CC[C@H](C(N)=O)C2)C[C@@H]([NH3+])C1 ZINC000925688576 839584162 /nfs/dbraw/zinc/58/41/62/839584162.db2.gz FALGDPPYGATAQN-QCNOEVLYSA-N 2 0 253.390 1.136 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CC[C@@H]2CCOC2=O)[C@@H](C)C1 ZINC000246301715 839599494 /nfs/dbraw/zinc/59/94/94/839599494.db2.gz BEHUKGBDAMYIDS-MJBXVCDLSA-N 2 0 268.401 1.602 10 0 CDAERP C[NH+](C)C1(CNC(=O)C=C2CC[NH2+]CC2)CCCCC1 ZINC000852801981 839622633 /nfs/dbraw/zinc/62/26/33/839622633.db2.gz HZIBWADURBPMQY-UHFFFAOYSA-N 2 0 279.428 1.677 10 0 CDAERP CC[NH+]1CCC(CCNC(=[NH2+])N2CCO[C@H](C)C2)CC1 ZINC000849007543 839709809 /nfs/dbraw/zinc/70/98/09/839709809.db2.gz XPWMSEVMOQKURL-CYBMUJFWSA-N 2 0 282.432 1.353 10 0 CDAERP CN(C)C(=O)CCC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925588360 839788374 /nfs/dbraw/zinc/78/83/74/839788374.db2.gz WAUOPUBTEHBRPP-GJZGRUSLSA-N 2 0 281.444 1.613 10 0 CDAERP C([C@@H]1CC[C@H](C2CC2)O1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000715510996 839822057 /nfs/dbraw/zinc/82/20/57/839822057.db2.gz QOQQVSBPMLKEFN-ZNMIVQPWSA-N 2 0 250.386 1.629 10 0 CDAERP Cn1cnc(CC[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)c1 ZINC000703215823 839871180 /nfs/dbraw/zinc/87/11/80/839871180.db2.gz CGIJWIAOJLLTSW-HZSPNIEDSA-N 2 0 262.401 1.329 10 0 CDAERP C[C@@H]1CC[N@H+](CCNC(=[NH2+])NC2CCCCC2)C1 ZINC000849004130 839986272 /nfs/dbraw/zinc/98/62/72/839986272.db2.gz AEKHVNVNNZRUEZ-GFCCVEGCSA-N 2 0 252.406 1.775 10 0 CDAERP C[NH+](C)CC1(O)CC[NH+](C[C@H]2Cc3ccccc32)CC1 ZINC000710670751 840012636 /nfs/dbraw/zinc/01/26/36/840012636.db2.gz DAMZILINRIPDLE-OAHLLOKOSA-N 2 0 274.408 1.715 10 0 CDAERP CC(C)CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923500547 840038129 /nfs/dbraw/zinc/03/81/29/840038129.db2.gz PMRRUOODWGMWRD-AVGNSLFASA-N 2 0 255.406 1.064 10 0 CDAERP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1)NCC1CC1 ZINC000923504311 840083759 /nfs/dbraw/zinc/08/37/59/840083759.db2.gz XAOUAEQVLUSHFK-HNNXBMFYSA-N 2 0 293.455 1.614 10 0 CDAERP CCN1CCC[C@@H]1C[NH2+]Cc1cnc2c(cnn2C)c1 ZINC000865402830 840126069 /nfs/dbraw/zinc/12/60/69/840126069.db2.gz FTKUAHKDCCUUQJ-CQSZACIVSA-N 2 0 273.384 1.542 10 0 CDAERP CCOCCOCC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925874810 840132600 /nfs/dbraw/zinc/13/26/00/840132600.db2.gz NTEGFXLWJRGNEQ-JKSUJKDBSA-N 2 0 284.444 1.797 10 0 CDAERP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000713045502 840326973 /nfs/dbraw/zinc/32/69/73/840326973.db2.gz UVLQQMIYRZEHPQ-VXGBXAGGSA-N 2 0 255.406 1.206 10 0 CDAERP C[C@H]1CCCN(CCCCS(C)(=O)=O)[C@@H]1CC[NH3+] ZINC000706504477 840367972 /nfs/dbraw/zinc/36/79/72/840367972.db2.gz KQELZAVNUZYZRE-QWHCGFSZSA-N 2 0 276.446 1.261 10 0 CDAERP CN1Cc2ccccc2[C@@H]1CNC(=O)CC[NH2+]CC1CC1 ZINC000870979794 840424886 /nfs/dbraw/zinc/42/48/86/840424886.db2.gz SAPPGVZUFFGYCG-INIZCTEOSA-N 2 0 287.407 1.679 10 0 CDAERP CC[C@H](C[C@@](C)(O)CC)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000924755366 840432316 /nfs/dbraw/zinc/43/23/16/840432316.db2.gz IOUFEALIPJKITR-KFWWJZLASA-N 2 0 272.433 1.362 10 0 CDAERP C[NH+](C)C[C@@H]1CN(C(=O)C2(F)CCCC2)C[C@H]1C[NH+](C)C ZINC000870019989 840452768 /nfs/dbraw/zinc/45/27/68/840452768.db2.gz YBSNPMDUATVGDA-ZIAGYGMSSA-N 2 0 299.434 1.467 10 0 CDAERP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@@H]1CCCC(C)(C)O1)C2 ZINC000714320751 840465991 /nfs/dbraw/zinc/46/59/91/840465991.db2.gz NJIRYPCZJUNIGO-KCQAQPDRSA-N 2 0 252.402 1.875 10 0 CDAERP C[C@@H](NCc1nc(CN(C)C)cs1)[C@H]1CCC[NH2+]C1 ZINC000722409637 840495857 /nfs/dbraw/zinc/49/58/57/840495857.db2.gz XUMYTGCHHMOOKW-NEPJUHHUSA-N 2 0 282.457 1.682 10 0 CDAERP O[C@@H](C[NH2+]C[C@@H]1CCC2(CCC2)CO1)C[NH+]1CCCC1 ZINC000716531316 840525153 /nfs/dbraw/zinc/52/51/53/840525153.db2.gz BXZRSLMWTYWSQT-GJZGRUSLSA-N 2 0 282.428 1.382 10 0 CDAERP O[C@H](C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)C1CC1 ZINC000838924921 840531610 /nfs/dbraw/zinc/53/16/10/840531610.db2.gz ILZOFWPRUCALMR-QGZVFWFLSA-N 2 0 296.455 1.582 10 0 CDAERP CN1CC[NH+](CCCC[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925545887 840554510 /nfs/dbraw/zinc/55/45/10/840554510.db2.gz LKODWMNANVHSTL-HOTGVXAUSA-N 3 0 296.503 1.510 10 0 CDAERP CC(C)C(=O)N1CC[NH+](CCCCCC[NH3+])CC1 ZINC000846217555 840602622 /nfs/dbraw/zinc/60/26/22/840602622.db2.gz KFSWFRSVVFXIQU-UHFFFAOYSA-N 2 0 255.406 1.306 10 0 CDAERP CC1(C)[C@@H](N[C@H]2CC[N@@H+](C3CC3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925494872 840618310 /nfs/dbraw/zinc/61/83/10/840618310.db2.gz LNTQVOPNEBXFLR-ATGSNQNLSA-N 2 0 263.429 1.589 10 0 CDAERP CC1(C)[C@@H](NC[C@@H]2CCC[N@@H+]2CCCO)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925678417 840777616 /nfs/dbraw/zinc/77/76/16/840777616.db2.gz DWXKPRZYUVDDBE-FZKCQIBNSA-N 2 0 295.471 1.199 10 0 CDAERP CCOCCOCCN1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931317613 840809667 /nfs/dbraw/zinc/80/96/67/840809667.db2.gz PUPNITXHHKMBHM-GJZGRUSLSA-N 2 0 270.417 1.313 10 0 CDAERP C[NH+](C)CCCC1CC[NH+](C[C@@H]2C[C@@H]3COC[C@H]3O2)CC1 ZINC000930146898 840851262 /nfs/dbraw/zinc/85/12/62/840851262.db2.gz MHSCUYXYIAOHHT-IXDOHACOSA-N 2 0 296.455 1.844 10 0 CDAERP C[C@H]([NH3+])[C@H]1C[N@H+](C[C@H]2CC(C)(C)OC2(C)C)CCO1 ZINC000709702975 840853990 /nfs/dbraw/zinc/85/39/90/840853990.db2.gz QMVVKWBHUKEJBC-YNEHKIRRSA-N 2 0 270.417 1.628 10 0 CDAERP C[NH+]1CCC(C[NH2+]C[C@H](O)C2CC2)(N2CCCCC2)CC1 ZINC000819110931 840857809 /nfs/dbraw/zinc/85/78/09/840857809.db2.gz KTYDZEGUGMVDMU-INIZCTEOSA-N 2 0 295.471 1.297 10 0 CDAERP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CC[NH2+]C23CCC3)C[C@H](C)O1 ZINC000925570899 841016330 /nfs/dbraw/zinc/01/63/30/841016330.db2.gz YSTLTNHRAQMHGR-OWCLPIDISA-N 3 0 295.471 1.750 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)[C@H](C)C1 ZINC000866449276 841111672 /nfs/dbraw/zinc/11/16/72/841111672.db2.gz ZUISGDVUWVNWGP-RMCMBSFLSA-N 2 0 264.413 1.730 10 0 CDAERP Cc1nc(C)c([C@@H](C)[NH2+]CCN2CCC([NH3+])CC2)s1 ZINC000092721356 841164044 /nfs/dbraw/zinc/16/40/44/841164044.db2.gz LOOGESHZEJABDR-SNVBAGLBSA-N 2 0 282.457 1.834 10 0 CDAERP C[C@H](CNC(=O)C[NH+]1C2CCC1CC2)[NH+]1C2CCC1CC2 ZINC000929248310 841253196 /nfs/dbraw/zinc/25/31/96/841253196.db2.gz RYBFGTGNABSIDV-DYCFOQDWSA-N 2 0 291.439 1.745 10 0 CDAERP CO[C@@H]1CCC[C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)CC1 ZINC000718865441 841337648 /nfs/dbraw/zinc/33/76/48/841337648.db2.gz MICADOPMMWYNQA-ZIAGYGMSSA-N 2 0 270.417 1.380 10 0 CDAERP CCCN1CCC[C@H]1C[NH2+][C@H]1CCOC12CCOCC2 ZINC000926418383 841514112 /nfs/dbraw/zinc/51/41/12/841514112.db2.gz NEANQQVMMCJZMF-GJZGRUSLSA-N 2 0 282.428 1.789 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000713066499 841519146 /nfs/dbraw/zinc/51/91/46/841519146.db2.gz GPVGHKYFUKOYGX-XQQFMLRXSA-N 2 0 269.433 1.595 10 0 CDAERP C[NH+]1CCN(CCC[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)CC1 ZINC000924579133 841540191 /nfs/dbraw/zinc/54/01/91/841540191.db2.gz VXXFLOCXCBRQEF-IRXDYDNUSA-N 2 0 295.471 1.419 10 0 CDAERP C[C@H](C(=O)NC(C)(C)C)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923452322 841559092 /nfs/dbraw/zinc/55/90/92/841559092.db2.gz GEYUPNVGRFECKH-OLZOCXBDSA-N 2 0 297.443 1.119 10 0 CDAERP Cc1csc(=O)n1CC[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923497317 841608803 /nfs/dbraw/zinc/60/88/03/841608803.db2.gz BMSGSKDIHLYOEK-CMPLNLGQSA-N 2 0 269.414 1.135 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCc2nnc(C)o2)[C@H](C)C1 ZINC000930000450 841653414 /nfs/dbraw/zinc/65/34/14/841653414.db2.gz PPTKUFOBLQYBHZ-YPMHNXCESA-N 2 0 266.389 1.583 10 0 CDAERP [NH3+]CC[C@H]1CCC[N@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000232148530 841656367 /nfs/dbraw/zinc/65/63/67/841656367.db2.gz XKFQPLJNNUHOBQ-CABCVRRESA-N 2 0 254.418 1.988 10 0 CDAERP C[C@@H]1CCCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)[C@H]1CC[NH3+] ZINC000872302698 841680710 /nfs/dbraw/zinc/68/07/10/841680710.db2.gz JCDOXKZVGDFNCV-BIGJJFBESA-N 2 0 265.401 1.090 10 0 CDAERP CC[C@H](C)[C@@H](O)C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925483547 841854885 /nfs/dbraw/zinc/85/48/85/841854885.db2.gz UJJOWYBQRAARJZ-ZUWCUPBKSA-N 2 0 254.418 1.760 10 0 CDAERP COc1ccc(NC(=O)C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000165318570 841863913 /nfs/dbraw/zinc/86/39/13/841863913.db2.gz JNPJSVGMVOAZAU-QWHCGFSZSA-N 2 0 291.395 1.550 10 0 CDAERP C[NH+](C)[C@@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)C1(C)C ZINC000864063403 841872278 /nfs/dbraw/zinc/87/22/78/841872278.db2.gz JVYUMXNRMZMNPA-YNEHKIRRSA-N 2 0 281.444 1.704 10 0 CDAERP CC1(C)CC[C@H](C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)OC1 ZINC000713596810 841873596 /nfs/dbraw/zinc/87/35/96/841873596.db2.gz OYFGFFIKNHMQIW-MCIONIFRSA-N 2 0 252.402 1.875 10 0 CDAERP COC[C@H](C[NH+]1CCC(C(C)(C)C[NH3+])CC1)OC ZINC000714399773 841889532 /nfs/dbraw/zinc/88/95/32/841889532.db2.gz QSFIMOKWWKZIBX-ZDUSSCGKSA-N 2 0 258.406 1.345 10 0 CDAERP CC(C)(C[NH3+])C(=O)N1c2ccccc2[C@@H]([NH3+])C1(C)C ZINC000867988690 841950538 /nfs/dbraw/zinc/95/05/38/841950538.db2.gz RZBFVUGAFWGTCA-GFCCVEGCSA-N 2 0 261.369 1.797 10 0 CDAERP CCOC(=O)[C@@H]1C[C@H]1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000929470823 841959729 /nfs/dbraw/zinc/95/97/29/841959729.db2.gz PFEXWMOEXSKOQU-DZGCQCFKSA-N 2 0 282.428 1.990 10 0 CDAERP CC1(C)[C@H]([NH2+]C[C@H]2CCCOC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925485808 842054913 /nfs/dbraw/zinc/05/49/13/842054913.db2.gz OURQHNOWMJDJIB-YIYPIFLZSA-N 2 0 252.402 1.779 10 0 CDAERP CC1CC[NH+](CCNC(=[NH2+])NC[C@@H]2CCCO2)CC1 ZINC000848987524 842085636 /nfs/dbraw/zinc/08/56/36/842085636.db2.gz CXUSMEURQXCVLH-ZDUSSCGKSA-N 2 0 268.405 1.011 10 0 CDAERP COc1cccc(OCC[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923499077 842086700 /nfs/dbraw/zinc/08/67/00/842086700.db2.gz RHZONISAUASEPR-KBPBESRZSA-N 2 0 278.396 1.991 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)N(C)CC2([NH+](C)C)CCC2)CC[N@@H+]1C ZINC000925334503 842094518 /nfs/dbraw/zinc/09/45/18/842094518.db2.gz LAELXOLVCFSDKP-OLZOCXBDSA-N 2 0 282.432 1.205 10 0 CDAERP FC1(F)[C@@H]2C[C@@H](C[N@@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)C[C@@H]21 ZINC000923515411 842101912 /nfs/dbraw/zinc/10/19/12/842101912.db2.gz GDNGUCKHPIBRTD-IEECTRCBSA-N 2 0 256.340 1.819 10 0 CDAERP C[C@H](C[N@H+](C)CCN1CC[NH2+]CC1)CC(C)(C)C ZINC000709153743 842154672 /nfs/dbraw/zinc/15/46/72/842154672.db2.gz SRUKCTOPTBZPPX-AWEZNQCLSA-N 2 0 255.450 1.896 10 0 CDAERP C[NH+](C)C1(C)CC[NH+](C[C@H]2C[C@@]23CCOC3)CC1 ZINC000931356795 842237716 /nfs/dbraw/zinc/23/77/16/842237716.db2.gz NDNOXRVUSRYZGL-UKRRQHHQSA-N 2 0 252.402 1.829 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]CCNC(=O)c2ccccc2F)C12CCC2 ZINC000925492594 842334278 /nfs/dbraw/zinc/33/42/78/842334278.db2.gz IACZYTLZISWMDY-KGLIPLIRSA-N 2 0 291.370 1.415 10 0 CDAERP Cn1nc(C(F)(F)F)cc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000925834503 842339004 /nfs/dbraw/zinc/33/90/04/842339004.db2.gz IKEOYHNMSNJOKF-BDAKNGLRSA-N 2 0 276.306 1.798 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000849047238 842540000 /nfs/dbraw/zinc/54/00/00/842540000.db2.gz RONSIYXUARKJEL-ZDUSSCGKSA-N 2 0 270.421 1.257 10 0 CDAERP CCC(CC)[C@H](CNC(=[NH2+])N1CCO[C@@H](C)C1)[NH+](C)C ZINC000848984292 842567812 /nfs/dbraw/zinc/56/78/12/842567812.db2.gz ILSSXOHXRYGSCA-JSGCOSHPSA-N 2 0 284.448 1.598 10 0 CDAERP CCO[C@H](CN[C@H]1C[C@H]([NH3+])c2ccccc21)C[NH+](C)C ZINC000925841695 842712218 /nfs/dbraw/zinc/71/22/18/842712218.db2.gz RYPXBLUOJUDROM-KCXAZCMYSA-N 2 0 277.412 1.688 10 0 CDAERP C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923502918 842787868 /nfs/dbraw/zinc/78/78/68/842787868.db2.gz DSUXUXFESCHOKO-QRJUGERDSA-N 2 0 295.471 1.796 10 0 CDAERP C[N@H+]1CC=C(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925633627 842830598 /nfs/dbraw/zinc/83/05/98/842830598.db2.gz FNPLPOYWOHKWFY-KGLIPLIRSA-N 3 0 251.418 1.744 10 0 CDAERP C[NH+](C)C1(C)CCN(C[C@@H](O)CC2(O)CCCC2)CC1 ZINC000931356120 842839376 /nfs/dbraw/zinc/83/93/76/842839376.db2.gz YTTRMGKBNDZOKY-AWEZNQCLSA-N 2 0 284.444 1.459 10 0 CDAERP C(NC1=[NH+]CCCCN1)C1([NH+]2CCSCC2)CCCC1 ZINC000849215407 842846734 /nfs/dbraw/zinc/84/67/34/842846734.db2.gz HVNUUWQZGMXNNK-UHFFFAOYSA-N 2 0 296.484 1.677 10 0 CDAERP C[C@@H]1C[C@H](CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)CC[NH2+]1 ZINC000261586886 842875014 /nfs/dbraw/zinc/87/50/14/842875014.db2.gz URGIZEUYCJUYQY-KBUPBQIOSA-N 2 0 251.418 1.543 10 0 CDAERP C[NH+](C)C1(CN[C@H]2CC[NH2+]C23CCCC3)CCOCC1 ZINC000925491004 842876205 /nfs/dbraw/zinc/87/62/05/842876205.db2.gz URMMYRMKCHCJQP-AWEZNQCLSA-N 2 0 281.444 1.362 10 0 CDAERP CC(C)[NH+]1CCC([NH2+]CC[C@@H]2CC(=O)N(C)C2)CC1 ZINC000723589911 842881649 /nfs/dbraw/zinc/88/16/49/842881649.db2.gz OZNOJINTOYJUAL-CYBMUJFWSA-N 2 0 267.417 1.317 10 0 CDAERP CCOC(=O)C1=CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000858506167 842883637 /nfs/dbraw/zinc/88/36/37/842883637.db2.gz SAYOBLITWYEABI-SOUVJXGZSA-N 2 0 278.396 1.855 10 0 CDAERP CC(C)[C@H](C(=O)N(C)C1CCC([NH3+])CC1)[C@@H](C)[NH3+] ZINC000818528721 842960411 /nfs/dbraw/zinc/96/04/11/842960411.db2.gz HTXOJNPVPKSGQA-XVSSEFHLSA-N 2 0 255.406 1.334 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCO[C@H]2CCOC2)C1 ZINC000925874287 842992441 /nfs/dbraw/zinc/99/24/41/842992441.db2.gz IAYDVGBZFWBYKQ-UPJWGTAASA-N 2 0 256.390 1.288 10 0 CDAERP C[C@H](CNC(=O)C1CC[NH+](C)CC1)C[NH2+]CC[C@H](C)F ZINC001568190672 1168095788 /nfs/dbraw/zinc/09/57/88/1168095788.db2.gz NOSUTSRNZHVHPI-STQMWFEESA-N 2 0 287.423 1.418 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001565839166 1168180828 /nfs/dbraw/zinc/18/08/28/1168180828.db2.gz AGJCFBKMJNWWKZ-QLFBSQMISA-N 2 0 279.428 1.531 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](CC=C(C)C)C1 ZINC001266246417 893905890 /nfs/dbraw/zinc/90/58/90/893905890.db2.gz PDGUQYOFLRARMK-HNNXBMFYSA-N 2 0 281.444 1.875 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001266533426 895255465 /nfs/dbraw/zinc/25/54/65/895255465.db2.gz JQOLPOAZWZONCX-CQSZACIVSA-N 2 0 267.417 1.176 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC=C(C)C)C1 ZINC001266557126 895350195 /nfs/dbraw/zinc/35/01/95/895350195.db2.gz PAGQLPDUVRBWLM-AWEZNQCLSA-N 2 0 267.417 1.485 10 0 CDAERP Cc1ncoc1C[NH2+]CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001567507320 1168818969 /nfs/dbraw/zinc/81/89/69/1168818969.db2.gz AJXYGWVZBFKOFP-UHFFFAOYSA-N 2 0 294.399 1.015 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001267056422 896650058 /nfs/dbraw/zinc/65/00/58/896650058.db2.gz QUFSESSUZDNYRB-OAHLLOKOSA-N 2 0 295.471 1.812 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001267279947 897454362 /nfs/dbraw/zinc/45/43/62/897454362.db2.gz OKFUJCAHEXBOIU-ZIAGYGMSSA-N 2 0 267.417 1.319 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)CC[NH2+]CC1CCCC1 ZINC001267451665 897919046 /nfs/dbraw/zinc/91/90/46/897919046.db2.gz MMMCWTGUOWNJNA-UHFFFAOYSA-N 2 0 269.433 1.566 10 0 CDAERP CC[C@H](F)CN(C)CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001480952161 898124241 /nfs/dbraw/zinc/12/42/41/898124241.db2.gz YGKRTDGEAISQDI-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCC[NH+](CCCF)C2CC2)CC[N@@H+]1C ZINC001481182557 899076220 /nfs/dbraw/zinc/07/62/20/899076220.db2.gz KDRILUFXXZTIAL-KBPBESRZSA-N 2 0 299.434 1.657 10 0 CDAERP C[C@H](F)CC[NH2+]CCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001481242377 899595400 /nfs/dbraw/zinc/59/54/00/899595400.db2.gz IHROLCGRSBSGIT-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CC[NH2+]CC[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001267886862 899941554 /nfs/dbraw/zinc/94/15/54/899941554.db2.gz XBNAZVYGWSDHGR-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](CC[C@H]2CCCO2)C1 ZINC001421310850 900153126 /nfs/dbraw/zinc/15/31/26/900153126.db2.gz KSFAFSJOXOANQJ-HUUCEWRRSA-N 2 0 297.443 1.040 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]C/C=C\Cl ZINC001267986627 900200783 /nfs/dbraw/zinc/20/07/83/900200783.db2.gz NPYOMSIYYMOLCF-DVPFHWFPSA-N 2 0 287.835 1.421 10 0 CDAERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1[NH2+]CCF ZINC001268138113 901383233 /nfs/dbraw/zinc/38/32/33/901383233.db2.gz AMDHRMKGTHMIJC-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@H](O)CC2CCCC2)C1 ZINC000300072308 901885920 /nfs/dbraw/zinc/88/59/20/901885920.db2.gz MMSLMNXSSYXLAH-AEGPPILISA-N 2 0 254.418 1.987 10 0 CDAERP CCC[NH2+]CCN(CC)C(=O)C[N@H+](C)C1CCC1 ZINC001268453877 902117539 /nfs/dbraw/zinc/11/75/39/902117539.db2.gz NFTYBKBCVGUNNP-UHFFFAOYSA-N 2 0 255.406 1.319 10 0 CDAERP CC[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC[C@H](C)F ZINC001481817791 902168268 /nfs/dbraw/zinc/16/82/68/902168268.db2.gz ATECGKSHXXBMCF-STQMWFEESA-N 2 0 287.423 1.703 10 0 CDAERP CCN(CC[NH2+]C/C=C/Cl)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001268479523 902295833 /nfs/dbraw/zinc/29/58/33/902295833.db2.gz KXZWPVUFYBNLFO-BPJJOFIESA-N 2 0 287.835 1.519 10 0 CDAERP CCN(CC[NH2+]C[C@@H]1CCCOC1)C(=O)C[N@H+](C)C(C)C ZINC001268499393 902402422 /nfs/dbraw/zinc/40/24/22/902402422.db2.gz KZSNKIOINKZMPP-HNNXBMFYSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@H](C[NH2+]CC1=CCCCC1)NC(=O)CC[NH+](C)C ZINC001268660852 902915479 /nfs/dbraw/zinc/91/54/79/902915479.db2.gz YETWODBGONZKPB-CYBMUJFWSA-N 2 0 267.417 1.533 10 0 CDAERP CC[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+]2CC[C@@H](F)C2)C1 ZINC001362385682 903594533 /nfs/dbraw/zinc/59/45/33/903594533.db2.gz LSLQEGXSODKOFU-ZIAGYGMSSA-N 2 0 285.407 1.221 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001269279357 903646493 /nfs/dbraw/zinc/64/64/93/903646493.db2.gz ZKEGOXHHISESQS-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001269279314 903647428 /nfs/dbraw/zinc/64/74/28/903647428.db2.gz YWZKTMCPPYTGKV-CQSZACIVSA-N 2 0 267.417 1.485 10 0 CDAERP CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001269505516 903870639 /nfs/dbraw/zinc/87/06/39/903870639.db2.gz GXIXEYIRYDIWNV-CHWSQXEVSA-N 2 0 265.401 1.262 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N[C@@](C)(C[NH2+]CCF)C2CC2)C1 ZINC001269634019 903997664 /nfs/dbraw/zinc/99/76/64/903997664.db2.gz JAZHAWSEFKUXPH-WFASDCNBSA-N 2 0 285.407 1.172 10 0 CDAERP COCCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001269981531 904248913 /nfs/dbraw/zinc/24/89/13/904248913.db2.gz NKQRLFZDZNYQSO-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001270083519 904337641 /nfs/dbraw/zinc/33/76/41/904337641.db2.gz PDYHNLQVKNNMIG-AWEZNQCLSA-N 2 0 279.428 1.605 10 0 CDAERP CC/C=C/CC[NH+]1CC(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001567841081 1169009378 /nfs/dbraw/zinc/00/93/78/1169009378.db2.gz OIIDOGMBQXOVLX-MBVDDHJVSA-N 2 0 293.455 1.733 10 0 CDAERP CC[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]CCF)C1)[NH+](C)C ZINC001270797159 905044855 /nfs/dbraw/zinc/04/48/55/905044855.db2.gz MPQGPFQBOKOYKX-JSGCOSHPSA-N 2 0 273.396 1.124 10 0 CDAERP CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](F)C[NH+](CC)CC ZINC001270977152 905514448 /nfs/dbraw/zinc/51/44/48/905514448.db2.gz UBSLRHOCGOHZJX-NEPJUHHUSA-N 2 0 261.385 1.123 10 0 CDAERP CC[C@@H](F)C[NH2+]CC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001482868500 908448394 /nfs/dbraw/zinc/44/83/94/908448394.db2.gz UWDVJOYJCVFKCC-GXTWGEPZSA-N 2 0 287.423 1.561 10 0 CDAERP CCN(CC[NH2+]CC1CC1)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001482963739 908545185 /nfs/dbraw/zinc/54/51/85/908545185.db2.gz XAEHUZOLEYTXER-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)Cc1ccsc1C(=O)NC/C=C\C[NH2+]CCF ZINC001483015033 908691658 /nfs/dbraw/zinc/69/16/58/908691658.db2.gz CJCJNBHAHRCWEF-ARJAWSKDSA-N 2 0 299.415 1.655 10 0 CDAERP O=C(NC/C=C/C[NH2+]CC1CC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001483025076 908703876 /nfs/dbraw/zinc/70/38/76/908703876.db2.gz STFNHCHWODRTGJ-VNHAASDWSA-N 2 0 291.439 1.675 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]C(C)C ZINC001567959186 1169095058 /nfs/dbraw/zinc/09/50/58/1169095058.db2.gz YCBJPRNPZVHCOM-JHJVBQTASA-N 2 0 255.406 1.219 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC1CC1)[NH+]1CCCC1 ZINC001425700402 910388650 /nfs/dbraw/zinc/38/86/50/910388650.db2.gz UEATXBWTGOFKKW-ZBFHGGJFSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)CC1CC(C)(C)C1 ZINC001409686280 910628950 /nfs/dbraw/zinc/62/89/50/910628950.db2.gz QTUAOLKQPGRRRP-DZGCQCFKSA-N 2 0 295.471 1.811 10 0 CDAERP CC[C@H](F)C[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001507090658 910737012 /nfs/dbraw/zinc/73/70/12/910737012.db2.gz RIVKWPMTOSIFET-STQMWFEESA-N 2 0 287.423 1.655 10 0 CDAERP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1ccccc1 ZINC001507116638 910767164 /nfs/dbraw/zinc/76/71/64/910767164.db2.gz CVASIURZQCZPLG-AWEZNQCLSA-N 2 0 277.412 1.575 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001483296655 910810468 /nfs/dbraw/zinc/81/04/68/910810468.db2.gz MZCUKVSZGRVGSJ-ZDUSSCGKSA-N 2 0 255.406 1.387 10 0 CDAERP CC(C)CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001483318438 910865178 /nfs/dbraw/zinc/86/51/78/910865178.db2.gz CNCVGHKFUHADHF-KGLIPLIRSA-N 2 0 269.433 1.563 10 0 CDAERP CC[C@H](C(=O)N(C)CCC[NH2+]Cc1ocnc1C)[NH+](C)C ZINC001483504293 911203819 /nfs/dbraw/zinc/20/38/19/911203819.db2.gz MQGZBUWFZWYNNM-CYBMUJFWSA-N 2 0 296.415 1.261 10 0 CDAERP CC(C)CC[NH2+]C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001483597733 911309004 /nfs/dbraw/zinc/30/90/04/911309004.db2.gz BXRGHYVZWYZRFZ-ZBFHGGJFSA-N 2 0 295.471 1.859 10 0 CDAERP COCC[N@@H+]1CCCCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001409859357 912203992 /nfs/dbraw/zinc/20/39/92/912203992.db2.gz ZHOUIHXCVIVRIH-HNNXBMFYSA-N 2 0 297.443 1.089 10 0 CDAERP CC(C)C[C@@H](C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001483855577 915120189 /nfs/dbraw/zinc/12/01/89/915120189.db2.gz AGMRQAXAJHQGBT-ZBFHGGJFSA-N 2 0 295.471 1.905 10 0 CDAERP CC(C)[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CCCC1 ZINC001483997058 915267163 /nfs/dbraw/zinc/26/71/63/915267163.db2.gz UPXNEGWDEDNEPZ-CABCVRRESA-N 2 0 281.444 1.754 10 0 CDAERP CN(CC[NH2+]CCCCCF)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001493793342 915768047 /nfs/dbraw/zinc/76/80/47/915768047.db2.gz GXJKDMJIMCRVMQ-ZDUSSCGKSA-N 2 0 273.396 1.126 10 0 CDAERP CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001484523915 915854390 /nfs/dbraw/zinc/85/43/90/915854390.db2.gz XBUGEVBVZCCTQU-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CC[C@H](CC[NH2+]CC2CC2)C1 ZINC001484550901 915877542 /nfs/dbraw/zinc/87/75/42/915877542.db2.gz ZYJMZKXJWOATRD-HNNXBMFYSA-N 2 0 279.428 1.320 10 0 CDAERP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]CCC1CC1 ZINC001485188666 916648789 /nfs/dbraw/zinc/64/87/89/916648789.db2.gz IQZXMGXHHWIWLQ-RYUDHWBXSA-N 2 0 255.406 1.221 10 0 CDAERP C[C@@H]([NH2+]CCCCCF)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001485218077 916661900 /nfs/dbraw/zinc/66/19/00/916661900.db2.gz XXCCZFNFLKPFIL-KGLIPLIRSA-N 2 0 299.434 1.705 10 0 CDAERP C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)N(C)CCF ZINC001485317718 916801808 /nfs/dbraw/zinc/80/18/08/916801808.db2.gz AHGXXNINCOHRRR-ZDUSSCGKSA-N 2 0 285.407 1.268 10 0 CDAERP C[C@@H](C[NH2+]CCC1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001568294888 1169228664 /nfs/dbraw/zinc/22/86/64/1169228664.db2.gz JXDKIPZYAZGYPW-DZKIICNBSA-N 2 0 295.471 1.953 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC001649356690 1169235911 /nfs/dbraw/zinc/23/59/11/1169235911.db2.gz IZBZVKUABOSCFL-ZDUSSCGKSA-N 2 0 281.444 1.707 10 0 CDAERP COC(=O)N1CCC([NH2+][C@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000689544341 936765783 /nfs/dbraw/zinc/76/57/83/936765783.db2.gz ALMTYUAIUUTCMF-RYUDHWBXSA-N 2 0 267.373 1.077 10 0 CDAERP CC(C)[NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCCC1 ZINC001649442941 1169248952 /nfs/dbraw/zinc/24/89/52/1169248952.db2.gz GBQDFYBRXWGNMA-UHFFFAOYSA-N 2 0 267.417 1.509 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001490921336 936817122 /nfs/dbraw/zinc/81/71/22/936817122.db2.gz CXQBKGWJLIFJBP-AVGNSLFASA-N 2 0 273.396 1.313 10 0 CDAERP CCC(CC)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001491080354 936851895 /nfs/dbraw/zinc/85/18/95/936851895.db2.gz LSSDAOQDCUEOCD-GASCZTMLSA-N 2 0 283.460 2.000 10 0 CDAERP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)C1([NH+](C)C)CCCC1 ZINC001141467186 936877689 /nfs/dbraw/zinc/87/76/89/936877689.db2.gz NYKNOGWFWIAAOM-CHWSQXEVSA-N 2 0 267.417 1.412 10 0 CDAERP CC(C)C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001491456659 936919801 /nfs/dbraw/zinc/91/98/01/936919801.db2.gz JEEVBMGMIHVDKW-JHJVBQTASA-N 2 0 255.406 1.077 10 0 CDAERP CCC[N@H+](C)CC(=O)NCC1[C@H]2C[NH+](C/C=C/Cl)C[C@@H]12 ZINC001410110068 925052066 /nfs/dbraw/zinc/05/20/66/925052066.db2.gz BWOFNINQWGKANH-SNSWZIKMSA-N 2 0 299.846 1.375 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)CC[NH+](C)C)C1 ZINC001142103633 936974591 /nfs/dbraw/zinc/97/45/91/936974591.db2.gz PYUILZQDQWUNKQ-KBPBESRZSA-N 2 0 269.433 1.515 10 0 CDAERP C[C@H](F)CC[N@@H+]1CCCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001410171089 925338579 /nfs/dbraw/zinc/33/85/79/925338579.db2.gz MVFZLKJQVNIFOC-AWEZNQCLSA-N 2 0 299.434 1.611 10 0 CDAERP C[C@H](O)CCC[N@H+](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001410247223 925448539 /nfs/dbraw/zinc/44/85/39/925448539.db2.gz JOWPGXKRXCNWEU-AWEZNQCLSA-N 2 0 299.459 1.022 10 0 CDAERP COC[C@H](C)[N@H+](C)C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001410259653 925469795 /nfs/dbraw/zinc/46/97/95/925469795.db2.gz OMUMCQUNYSTCBQ-AWEZNQCLSA-N 2 0 299.459 1.284 10 0 CDAERP CCN(CC[NH2+]C[C@@H]1CCCCO1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001273297934 925759304 /nfs/dbraw/zinc/75/93/04/925759304.db2.gz DTRDKYKGTWHNAA-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CCC[NH2+][C@H]1C[C@@H](CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001488802988 926696518 /nfs/dbraw/zinc/69/65/18/926696518.db2.gz BHOVZIUFVXKZOZ-ZQDZILKHSA-N 2 0 281.444 1.754 10 0 CDAERP C[N@@H+](C/C=C/Cl)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001490214954 927014904 /nfs/dbraw/zinc/01/49/04/927014904.db2.gz FEVPSJQQGLWNLB-LJLILKBBSA-N 2 0 287.835 1.661 10 0 CDAERP CC[N@H+](CCCNC(=O)C1(C[NH+](C)C)CC1)C(C)C ZINC001490343749 927100472 /nfs/dbraw/zinc/10/04/72/927100472.db2.gz KHLNLEAVRYZBTO-UHFFFAOYSA-N 2 0 269.433 1.565 10 0 CDAERP CC[C@H](C(=O)NCCC[N@H+](CC)C1CC1)[NH+](C)C ZINC001490391514 927147853 /nfs/dbraw/zinc/14/78/53/927147853.db2.gz OEGCNINPNOECMS-CYBMUJFWSA-N 2 0 255.406 1.317 10 0 CDAERP CCCCCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001490577488 927238785 /nfs/dbraw/zinc/23/87/85/927238785.db2.gz SGWZKRQQMCRBRI-HNNXBMFYSA-N 2 0 281.444 1.853 10 0 CDAERP CCC[NH2+]C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001274824804 931585180 /nfs/dbraw/zinc/58/51/80/931585180.db2.gz IETVHKCDHQZNBN-GFCCVEGCSA-N 2 0 253.390 1.119 10 0 CDAERP C[C@H](C[NH2+]CCC1CC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001274944285 931613945 /nfs/dbraw/zinc/61/39/45/931613945.db2.gz VYRSBBWITOPBDN-CYBMUJFWSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC001411601225 931909120 /nfs/dbraw/zinc/90/91/20/931909120.db2.gz CXPUXNZMEYDGJM-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001411782211 932020312 /nfs/dbraw/zinc/02/03/12/932020312.db2.gz YFSDVGOMJZCJMF-CABCVRRESA-N 2 0 281.444 1.661 10 0 CDAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C1([NH+](C)C)CCCC1 ZINC001412579668 932517942 /nfs/dbraw/zinc/51/79/42/932517942.db2.gz RBDXTUYJHAGJBY-AWEZNQCLSA-N 2 0 281.444 1.661 10 0 CDAERP CC1CC[NH+](CC(=O)N2CC[C@H](CC[NH+](C)C)C2)CC1 ZINC001412603794 932549169 /nfs/dbraw/zinc/54/91/69/932549169.db2.gz YZFDBUBKTUNOOR-HNNXBMFYSA-N 2 0 281.444 1.519 10 0 CDAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000925772739 932937807 /nfs/dbraw/zinc/93/78/07/932937807.db2.gz UHKQWDPUDRRLPR-DRZSPHRISA-N 2 0 297.424 1.075 10 0 CDAERP CCOC(=O)[C@H](C)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000691898559 933133311 /nfs/dbraw/zinc/13/33/11/933133311.db2.gz LPTOFPQASGSWNH-ZDUSSCGKSA-N 2 0 268.401 1.746 10 0 CDAERP C[N@H+](CCNC(=O)CCCCC[NH3+])C1CCCCC1 ZINC000155451065 934228035 /nfs/dbraw/zinc/22/80/35/934228035.db2.gz MYVUZINWEIGSCT-UHFFFAOYSA-N 2 0 269.433 1.886 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001490840282 934358329 /nfs/dbraw/zinc/35/83/29/934358329.db2.gz NTJMRNQANHLZLZ-ZDUSSCGKSA-N 2 0 267.417 1.319 10 0 CDAERP C[N@@H+]1C[C@]23C[NH+](C[C@@H](O)CC(C)(C)O)C[C@@]2(C1)CCCC3 ZINC001413090209 935898436 /nfs/dbraw/zinc/89/84/36/935898436.db2.gz FGHNUEJRDSUXLG-BHYGNILZSA-N 2 0 296.455 1.316 10 0 CDAERP COCC[N@@H+]1CCN(C(=O)[C@@H](C)CC[NH+](C)C)C(C)(C)C1 ZINC001413222536 935955400 /nfs/dbraw/zinc/95/54/00/935955400.db2.gz IMBDTGHDZFOHSC-AWEZNQCLSA-N 2 0 299.459 1.143 10 0 CDAERP C[C@@H](CC[NH2+]CCCF)NC(=O)C1CC[NH+](C)CC1 ZINC001568674238 1169425221 /nfs/dbraw/zinc/42/52/21/1169425221.db2.gz IWJFAUOAFZCDQJ-LBPRGKRZSA-N 2 0 273.396 1.172 10 0 CDAERP C[C@@H](CC[NH2+]Cc1cscn1)NC(=O)CC[NH+](C)C ZINC001568674230 1169425814 /nfs/dbraw/zinc/42/58/14/1169425814.db2.gz IKPHSHIRIKTDFY-NSHDSACASA-N 2 0 284.429 1.079 10 0 CDAERP CCCCC[NH+]1CC([C@@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001276423725 939706853 /nfs/dbraw/zinc/70/68/53/939706853.db2.gz WMDHHBIOIGYJIG-CQSZACIVSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001649858256 1169440173 /nfs/dbraw/zinc/44/01/73/1169440173.db2.gz SEWKHQZGQNHXCA-WBVHZDCISA-N 2 0 293.455 1.853 10 0 CDAERP C[C@@H](CC[NH2+]Cc1ccccc1)NC(=O)C[NH+]1CCCC1 ZINC001568710141 1169441105 /nfs/dbraw/zinc/44/11/05/1169441105.db2.gz ISGDYHXAQAWCCU-HNNXBMFYSA-N 2 0 289.423 1.767 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]C/C=C/Cl)C1CC1 ZINC001276649054 940599664 /nfs/dbraw/zinc/59/96/64/940599664.db2.gz WIFWBDHUQVBYOY-QDBLGGKGSA-N 2 0 273.808 1.175 10 0 CDAERP C[C@H]([NH2+][C@@H]1CCCc2c1cnn2C)C1CC[NH2+]CC1 ZINC000400321689 940846837 /nfs/dbraw/zinc/84/68/37/940846837.db2.gz BIQCJRYNJDJSLJ-SMDDNHRTSA-N 2 0 262.401 1.775 10 0 CDAERP CNC(=O)c1ccc(C[NH2+][C@H](C)C2CC[NH2+]CC2)cc1 ZINC000400436839 940849295 /nfs/dbraw/zinc/84/92/95/940849295.db2.gz DEGFAKFSBDSJRD-GFCCVEGCSA-N 2 0 275.396 1.524 10 0 CDAERP CCC[NH2+]C[C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001277007831 941808210 /nfs/dbraw/zinc/80/82/10/941808210.db2.gz GXVVKSXYABZEQD-HDJSIYSDSA-N 2 0 279.428 1.509 10 0 CDAERP CCN(CC[NH2+]CC1CC(C)C1)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001568776064 1169471167 /nfs/dbraw/zinc/47/11/67/1169471167.db2.gz VMSGVLIKMNUDSM-FHERZECASA-N 2 0 295.471 1.812 10 0 CDAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001362116178 970906116 /nfs/dbraw/zinc/90/61/16/970906116.db2.gz ZNUCXXOZJQZAEG-HRCADAONSA-N 2 0 295.471 1.907 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]1CCCCC[N@@H+]1CC)[NH+](C)C ZINC001282677764 942738408 /nfs/dbraw/zinc/73/84/08/942738408.db2.gz HBLXNWKBAQPFLN-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001284095733 943077891 /nfs/dbraw/zinc/07/78/91/943077891.db2.gz JCJBRCRHOKFGFS-MGPQQGTHSA-N 2 0 267.417 1.175 10 0 CDAERP CC(C)[NH2+][C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001277598315 943091871 /nfs/dbraw/zinc/09/18/71/943091871.db2.gz OZZWGEHEFUUFPE-UONOGXRCSA-N 2 0 269.433 1.467 10 0 CDAERP CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]CC(C)C)[NH+](C)C ZINC001277861507 943872438 /nfs/dbraw/zinc/87/24/38/943872438.db2.gz CQISXDGFJOHQNC-QWHCGFSZSA-N 2 0 257.422 1.419 10 0 CDAERP CCOCC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H]1CC ZINC001264068012 944072309 /nfs/dbraw/zinc/07/23/09/944072309.db2.gz ZOXWKXVMNAOZIC-RRFJBIMHSA-N 2 0 299.459 1.332 10 0 CDAERP CCCCC[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001265941987 944587774 /nfs/dbraw/zinc/58/77/74/944587774.db2.gz RCXVDPHLPAVQOM-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)CC[NH+]2CC[C@H](F)C2)C[N@@H+]1C1CC1 ZINC001362281094 971111396 /nfs/dbraw/zinc/11/13/96/971111396.db2.gz KUQCNXOEXKJRRY-FRRDWIJNSA-N 2 0 283.391 1.162 10 0 CDAERP C[C@H](F)CC[NH2+]C/C=C/CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001568852117 1169517461 /nfs/dbraw/zinc/51/74/61/1169517461.db2.gz RRPDIHKUVVEMDA-JHJUWLLWSA-N 2 0 297.418 1.338 10 0 CDAERP CC(C)=CC[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001266237119 944777057 /nfs/dbraw/zinc/77/70/57/944777057.db2.gz QRICLKJOZJRNHK-AWEZNQCLSA-N 2 0 267.417 1.485 10 0 CDAERP CC(C)[C@H](C(=O)NC/C=C\C[NH2+]CC1CC(C)C1)[NH+](C)C ZINC001568913443 1169545260 /nfs/dbraw/zinc/54/52/60/1169545260.db2.gz DLPARXYAGNGGAA-KDSGZKNUSA-N 2 0 295.471 1.881 10 0 CDAERP COC(=O)[C@H]1[C@H](C[NH2+]CCC2CC[NH+](C)CC2)C1(F)F ZINC001262110015 946440298 /nfs/dbraw/zinc/44/02/98/946440298.db2.gz NVQJQVMNRMTDTC-NWDGAFQWSA-N 2 0 290.354 1.362 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001362427704 971261346 /nfs/dbraw/zinc/26/13/46/971261346.db2.gz AOYKOIBFQGQIBD-JKXDFHQYSA-N 2 0 281.444 1.658 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001479298498 971294385 /nfs/dbraw/zinc/29/43/85/971294385.db2.gz DGSDEGAVIPXOAY-MELADBBJSA-N 2 0 299.434 1.703 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC001362493236 971335965 /nfs/dbraw/zinc/33/59/65/971335965.db2.gz MPBZQVWIQKDVFS-GOEBONIOSA-N 2 0 281.444 1.519 10 0 CDAERP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC[C@@H](C)F)[C@@H]1C ZINC001479729116 971385301 /nfs/dbraw/zinc/38/53/01/971385301.db2.gz IZIIBAGGTHGTHI-MCIONIFRSA-N 2 0 287.423 1.654 10 0 CDAERP C[C@H]1C[C@@H](C(=O)Nc2cc(N(C)C)cc[nH+]2)CC[N@@H+]1C ZINC001362549171 971391531 /nfs/dbraw/zinc/39/15/31/971391531.db2.gz QBZDOSQUBXBLKL-RYUDHWBXSA-N 2 0 276.384 1.816 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001480207905 971629157 /nfs/dbraw/zinc/62/91/57/971629157.db2.gz KWMBRZVEWRSSTB-RWMBFGLXSA-N 2 0 285.407 1.456 10 0 CDAERP C[C@@H](C[NH2+]C/C=C/Cl)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001569064428 1169626389 /nfs/dbraw/zinc/62/63/89/1169626389.db2.gz FOTMINSYKVMVSY-LVDDQXARSA-N 2 0 299.846 1.709 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001278585366 950266877 /nfs/dbraw/zinc/26/68/77/950266877.db2.gz LCQRSIIKRVXTTK-KBPBESRZSA-N 2 0 281.444 1.613 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+](C/C=C\Cl)C1 ZINC001480262082 971651302 /nfs/dbraw/zinc/65/13/02/971651302.db2.gz JHABPJJEHNAOFA-IRBQFCFKSA-N 2 0 287.835 1.519 10 0 CDAERP CCCC[NH2+]C1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001480411823 971707005 /nfs/dbraw/zinc/70/70/05/971707005.db2.gz VDLIBXKEZFTYGH-UHFFFAOYSA-N 2 0 281.444 1.899 10 0 CDAERP CCN1CC[C@H]1C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001362900174 971711339 /nfs/dbraw/zinc/71/13/39/971711339.db2.gz RAFPDWWDNQIIQI-ZFWWWQNUSA-N 2 0 279.428 1.413 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1cncs1 ZINC001480518576 971764736 /nfs/dbraw/zinc/76/47/36/971764736.db2.gz PTYDMCZATUPBJI-YPMHNXCESA-N 2 0 296.440 1.222 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]CC[C@@H]1CCCCO1 ZINC001480595757 971800298 /nfs/dbraw/zinc/80/02/98/971800298.db2.gz DERJDFQOVAEQCA-CABCVRRESA-N 2 0 299.459 1.380 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001480597730 971800779 /nfs/dbraw/zinc/80/07/79/971800779.db2.gz SYPZYOFHNYGLPD-UONOGXRCSA-N 2 0 299.459 1.236 10 0 CDAERP CC(C)[C@H]1CN(C(=O)C[NH+](C)CC(C)(C)C)CC[N@@H+]1C ZINC001363624136 953562965 /nfs/dbraw/zinc/56/29/65/953562965.db2.gz HWZSISHVIQPXHD-CQSZACIVSA-N 2 0 283.460 1.763 10 0 CDAERP CC[C@@H](F)C[NH2+][C@@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001491579018 955296376 /nfs/dbraw/zinc/29/63/76/955296376.db2.gz IMXLURLNKHMCAC-QWHCGFSZSA-N 2 0 289.439 1.807 10 0 CDAERP Cc1cc(F)ccc1C[NH2+][C@H](C)CNC(=O)CC[NH+](C)C ZINC001491568707 955309396 /nfs/dbraw/zinc/30/93/96/955309396.db2.gz MFSLFJRCOQESCU-CYBMUJFWSA-N 2 0 295.402 1.680 10 0 CDAERP C[N@@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC001364957949 955422335 /nfs/dbraw/zinc/42/23/35/955422335.db2.gz ZBZLPXPDMIBFCT-GJZGRUSLSA-N 2 0 293.455 1.850 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H](C[NH2+]CCCF)C1 ZINC001491812672 955477668 /nfs/dbraw/zinc/47/76/68/955477668.db2.gz QMRRQRLOHYNLAL-HUUCEWRRSA-N 2 0 299.434 1.659 10 0 CDAERP CC[C@H](F)C[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CCC1 ZINC001421770976 955537984 /nfs/dbraw/zinc/53/79/84/955537984.db2.gz MIHJFEJRJQBLDY-AWEZNQCLSA-N 2 0 299.434 1.705 10 0 CDAERP CC[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CCCC1 ZINC001421844942 955591234 /nfs/dbraw/zinc/59/12/34/955591234.db2.gz JENVZLHNIHSKFO-AWEZNQCLSA-N 2 0 281.444 1.899 10 0 CDAERP COCCC[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001493761824 972111360 /nfs/dbraw/zinc/11/13/60/972111360.db2.gz NTHJCNPPOGFRJI-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)CC[NH2+]Cc1cccc(F)c1 ZINC001493769954 972112080 /nfs/dbraw/zinc/11/20/80/972112080.db2.gz VTSIABRQJZWGNU-UHFFFAOYSA-N 2 0 295.402 1.716 10 0 CDAERP C[C@@H](C[NH2+]CC1CCC1)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001421898761 955639682 /nfs/dbraw/zinc/63/96/82/955639682.db2.gz FSAFNDRMPCQXIV-BBRMVZONSA-N 2 0 293.455 1.565 10 0 CDAERP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+]CC1CCCC1 ZINC001492078228 955641574 /nfs/dbraw/zinc/64/15/74/955641574.db2.gz QKFZUTJFJWVMAV-CYBMUJFWSA-N 2 0 269.433 1.613 10 0 CDAERP CCC[NH2+]CCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001493803501 972115647 /nfs/dbraw/zinc/11/56/47/972115647.db2.gz PYSAWPLALITCIV-BETUJISGSA-N 2 0 255.406 1.317 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001492304852 955789156 /nfs/dbraw/zinc/78/91/56/955789156.db2.gz XMWCXNCBAJGEIG-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP CC(C)CC[N@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001492420939 955874909 /nfs/dbraw/zinc/87/49/09/955874909.db2.gz DGEMCEOBYDIGJQ-AWEZNQCLSA-N 2 0 269.433 1.422 10 0 CDAERP C[C@H](C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1)CC(C)(C)C ZINC001365313686 955882253 /nfs/dbraw/zinc/88/22/53/955882253.db2.gz JEAPYYGIKYYBEE-AWEZNQCLSA-N 2 0 283.460 1.765 10 0 CDAERP CC(C)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001422513345 956111785 /nfs/dbraw/zinc/11/17/85/956111785.db2.gz GAOHEWFMSYSNLU-CABCVRRESA-N 2 0 283.460 1.952 10 0 CDAERP C[NH+](C)CCC(=O)NCC[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001494048613 972166866 /nfs/dbraw/zinc/16/68/66/972166866.db2.gz QHXGSNMOKLOHAV-CQSZACIVSA-N 2 0 267.417 1.176 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)C(C)C ZINC001365806324 956368681 /nfs/dbraw/zinc/36/86/81/956368681.db2.gz QBLXDYHBOSTFPZ-OAHLLOKOSA-N 2 0 283.460 1.905 10 0 CDAERP CN(C(=O)CC[N@@H+]1CC[C@H](F)C1)C(C)(C)C[NH+]1CCCC1 ZINC001363447400 972175004 /nfs/dbraw/zinc/17/50/04/972175004.db2.gz GARGJOXYQABUKH-AWEZNQCLSA-N 2 0 299.434 1.753 10 0 CDAERP CC(C)CC[N@H+](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001422881536 956423687 /nfs/dbraw/zinc/42/36/87/956423687.db2.gz VNJXVTBRAMMFKE-CQSZACIVSA-N 2 0 283.460 1.811 10 0 CDAERP COCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001422891472 956430555 /nfs/dbraw/zinc/43/05/55/956430555.db2.gz MHYOMOFMUBAESH-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CC1CC1 ZINC001366324603 956745107 /nfs/dbraw/zinc/74/51/07/956745107.db2.gz BKHJZYYKNGCEDM-DZGCQCFKSA-N 2 0 281.444 1.754 10 0 CDAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@@H](C)c1ccccc1 ZINC001366360990 956771998 /nfs/dbraw/zinc/77/19/98/956771998.db2.gz WKQBZUCWAJHCHN-GJZGRUSLSA-N 2 0 289.423 1.938 10 0 CDAERP Cc1cccc(C[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C(C)C)c1 ZINC001366369838 956774886 /nfs/dbraw/zinc/77/48/86/956774886.db2.gz UYLWRHQQKFIHKK-HNNXBMFYSA-N 2 0 291.439 1.930 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)CN(C)C(=O)CCC[NH+]1CCCC1 ZINC001423547913 956846442 /nfs/dbraw/zinc/84/64/42/956846442.db2.gz WVSMBJSIXCUVMC-HNNXBMFYSA-N 2 0 299.459 1.022 10 0 CDAERP CN(CCC[NH2+]CC1CCC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001569257833 1169739026 /nfs/dbraw/zinc/73/90/26/1169739026.db2.gz NIDPSXVUBZVUIJ-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP C[NH+](C)CCC(=O)NC1C[NH+](CC2CC(C)(C)C2)C1 ZINC001494441072 972233456 /nfs/dbraw/zinc/23/34/56/972233456.db2.gz FSQZZUCVGLNSIS-UHFFFAOYSA-N 2 0 267.417 1.175 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H]1C ZINC001316793538 957023857 /nfs/dbraw/zinc/02/38/57/957023857.db2.gz YDUNYNOIRXXBBZ-ILXRZTDVSA-N 2 0 299.459 1.332 10 0 CDAERP CC[C@H](C(=O)N1CCC([C@H](C)[NH2+]CCF)CC1)[NH+](C)C ZINC001366782681 957184613 /nfs/dbraw/zinc/18/46/13/957184613.db2.gz MWIMCWBVZQMGKJ-GXTWGEPZSA-N 2 0 287.423 1.513 10 0 CDAERP CCCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001366819977 957203427 /nfs/dbraw/zinc/20/34/27/957203427.db2.gz UXOQGEZRAONDMW-JKSUJKDBSA-N 2 0 293.455 1.661 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@H](CCNC(=O)Cn2ccnc2)C1 ZINC001366854658 957225545 /nfs/dbraw/zinc/22/55/45/957225545.db2.gz UQWFRTKZAVMDAM-KGLIPLIRSA-N 2 0 296.390 1.459 10 0 CDAERP CC(C)[NH2+]CC1CC(NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001424737095 957328318 /nfs/dbraw/zinc/32/83/18/957328318.db2.gz XMDIBCZYFKBNSI-UYSNPLJNSA-N 2 0 295.471 2.000 10 0 CDAERP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCCC[C@@H]1C[NH2+]CCF ZINC001317186012 957331224 /nfs/dbraw/zinc/33/12/24/957331224.db2.gz FUYDSEUJSGVRRH-HUUCEWRRSA-N 2 0 297.418 1.268 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC001367008174 957331893 /nfs/dbraw/zinc/33/18/93/957331893.db2.gz GFKCOAJYCYZYBT-LSDHHAIUSA-N 2 0 279.428 1.461 10 0 CDAERP CC[C@H](C)C[NH2+][C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001317248087 957378281 /nfs/dbraw/zinc/37/82/81/957378281.db2.gz XZJMWKJLBDEGRC-QWHCGFSZSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCC1=CCCCC1 ZINC001317288112 957406626 /nfs/dbraw/zinc/40/66/26/957406626.db2.gz FPFZBKCPGXTCCF-GDBMZVCRSA-N 2 0 293.455 1.923 10 0 CDAERP C[C@@H](NC(=O)CCC[NH+](C)C)C1C[NH+](CC[C@H](C)F)C1 ZINC001425246468 957499900 /nfs/dbraw/zinc/49/99/00/957499900.db2.gz CDWXNPZKPWUILJ-QWHCGFSZSA-N 2 0 287.423 1.513 10 0 CDAERP CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001425336245 957516235 /nfs/dbraw/zinc/51/62/35/957516235.db2.gz YDWHCOWFSMIUKF-PHZGNYQRSA-N 2 0 293.455 1.565 10 0 CDAERP CC[C@H](C(=O)N1C[C@@H]([NH2+]CCCOC)C(C)(C)C1)[NH+](C)C ZINC001332388415 957542527 /nfs/dbraw/zinc/54/25/27/957542527.db2.gz PEPQGMCIXVJXEL-ZIAGYGMSSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@@H]1COCCN1CC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC001332419274 957555386 /nfs/dbraw/zinc/55/53/86/957555386.db2.gz BRGWZBJPCOOZOJ-MGPQQGTHSA-N 2 0 269.433 1.203 10 0 CDAERP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2CCCC[C@@H]2[NH3+])C1 ZINC001332416943 957555487 /nfs/dbraw/zinc/55/54/87/957555487.db2.gz RDLXYVUKVYSWND-RNJOBUHISA-N 2 0 253.390 1.090 10 0 CDAERP CC1(C)[C@H]([NH2+]C[C@H]2CCC[C@H](O)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC001332421658 957557818 /nfs/dbraw/zinc/55/78/18/957557818.db2.gz QTJWXWKFQXHWAO-SBJFKYEJSA-N 2 0 266.429 1.904 10 0 CDAERP CN(CC[NH2+]C/C=C/Cl)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001317616645 957598528 /nfs/dbraw/zinc/59/85/28/957598528.db2.gz GLGWKIMRVOGPOQ-VOTSOKGWSA-N 2 0 287.835 1.661 10 0 CDAERP CCC(CC)C[NH2+]CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001317623653 957607204 /nfs/dbraw/zinc/60/72/04/957607204.db2.gz LZLINLLKVXXGQS-UHFFFAOYSA-N 2 0 283.460 1.812 10 0 CDAERP CN(CC[NH2+]C/C=C/Cl)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001317652703 957623621 /nfs/dbraw/zinc/62/36/21/957623621.db2.gz BWKLPDIAXOCUJK-OGOUPESXSA-N 2 0 273.808 1.129 10 0 CDAERP CCCCC[N@@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001317949048 957829850 /nfs/dbraw/zinc/82/98/50/957829850.db2.gz COVVPTOKEQGTKY-OAHLLOKOSA-N 2 0 293.455 1.853 10 0 CDAERP CC(C)N(CC[N@H+](C)C(C)C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001426206936 957840715 /nfs/dbraw/zinc/84/07/15/957840715.db2.gz MZQQOGNIDAUARC-HNNXBMFYSA-N 2 0 283.460 1.905 10 0 CDAERP CC(C)[C@H](C(=O)NC[C@@H](C)C[NH2+]CC1CC1)[NH+]1CCCC1 ZINC001367288541 957907620 /nfs/dbraw/zinc/90/76/20/957907620.db2.gz NWESZVCZXUSDED-GOEBONIOSA-N 2 0 295.471 1.859 10 0 CDAERP Cc1ncc(C[NH2+]C[C@H](C)N(C)C(=O)CC[NH+](C)C)s1 ZINC001367375004 957976452 /nfs/dbraw/zinc/97/64/52/957976452.db2.gz IRVNWVDJVGFXLW-NSHDSACASA-N 2 0 298.456 1.340 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001318253861 958003118 /nfs/dbraw/zinc/00/31/18/958003118.db2.gz YNNFDZGJELXCPV-XTYCPRDBSA-N 2 0 293.455 1.873 10 0 CDAERP CC(C)[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC1CC(C)C1 ZINC001367493520 958054789 /nfs/dbraw/zinc/05/47/89/958054789.db2.gz HRLWEKYGMOAFMP-GPANFISMSA-N 2 0 295.471 1.859 10 0 CDAERP COC[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001494861957 972324724 /nfs/dbraw/zinc/32/47/24/972324724.db2.gz GFXVXEDVUUZFEI-CABCVRRESA-N 2 0 299.459 1.286 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)CC[NH2+]C(C)(C)C ZINC001333288709 958218497 /nfs/dbraw/zinc/21/84/97/958218497.db2.gz IXCJBAKCCBOAHF-ZDUSSCGKSA-N 2 0 269.433 1.755 10 0 CDAERP C[C@@H](C[NH2+]Cc1c(F)cccc1F)NC(=O)CC[NH+](C)C ZINC001367752390 958298569 /nfs/dbraw/zinc/29/85/69/958298569.db2.gz IBBFYJUKFFJPMN-NSHDSACASA-N 2 0 299.365 1.511 10 0 CDAERP CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CC[C@@H](C)F)[NH+](C)C ZINC001319111635 958381899 /nfs/dbraw/zinc/38/18/99/958381899.db2.gz KYNZVSMXTBEIFD-MCIONIFRSA-N 2 0 287.423 1.655 10 0 CDAERP C[C@H](CNC(=O)Cc1ncc[nH]1)C[NH2+]CCC1CC1 ZINC001319256553 958461546 /nfs/dbraw/zinc/46/15/46/958461546.db2.gz FFFFBSGZALJSGO-NSHDSACASA-N 2 0 264.373 1.094 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH2+]CCCF)CCCC2)C1 ZINC001319384963 958526759 /nfs/dbraw/zinc/52/67/59/958526759.db2.gz GWYDOSVOZXRPJU-CQSZACIVSA-N 2 0 299.434 1.706 10 0 CDAERP COC[C@H](C)[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001368004366 958572295 /nfs/dbraw/zinc/57/22/95/958572295.db2.gz UPZKREGLYBYVTP-UONOGXRCSA-N 2 0 297.443 1.134 10 0 CDAERP C[C@H](C[NH2+]CCC1CC1)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001319474365 958582023 /nfs/dbraw/zinc/58/20/23/958582023.db2.gz ZCESTUHVMCSFCL-CYBMUJFWSA-N 2 0 281.444 1.707 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@]2(CC[N@H+](CCCF)C2)C1 ZINC001368059113 958604952 /nfs/dbraw/zinc/60/49/52/958604952.db2.gz BCFYIFCLDKICKT-HNNXBMFYSA-N 2 0 285.407 1.222 10 0 CDAERP C[C@@H](C[NH2+]CCCF)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001319524872 958608917 /nfs/dbraw/zinc/60/89/17/958608917.db2.gz YQNIJTJXCPQAED-IHRRRGAJSA-N 2 0 287.423 1.513 10 0 CDAERP CCC[NH2+]C1(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CCC1 ZINC001368496687 958897153 /nfs/dbraw/zinc/89/71/53/958897153.db2.gz QNJQAKXCKWUSOA-ZIAGYGMSSA-N 2 0 281.444 1.898 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC(C)([NH2+]CCF)CC2)CC[N@@H+]1C ZINC001368653762 959015991 /nfs/dbraw/zinc/01/59/91/959015991.db2.gz JLVZEEGACJWMND-KBPBESRZSA-N 2 0 299.434 1.657 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1CCF ZINC001368696878 959053580 /nfs/dbraw/zinc/05/35/80/959053580.db2.gz CQYISKPRNHHROT-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP C[C@@H](F)CC[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001368801957 959142995 /nfs/dbraw/zinc/14/29/95/959142995.db2.gz HXFWYLMEPIOERB-CABCVRRESA-N 2 0 299.434 1.753 10 0 CDAERP CO[C@@H](C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001368821217 959154624 /nfs/dbraw/zinc/15/46/24/959154624.db2.gz QNBJRNQDFFRFGO-GJZGRUSLSA-N 2 0 299.459 1.286 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cc(C)on1)[NH+](C)C ZINC001320609785 959272131 /nfs/dbraw/zinc/27/21/31/959272131.db2.gz WQQSMQYBUTVANZ-SMDDNHRTSA-N 2 0 296.415 1.308 10 0 CDAERP CCN(CC[NH2+]CCCF)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001320826198 959413982 /nfs/dbraw/zinc/41/39/82/959413982.db2.gz CRJUGHUKRKTYDS-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC/C=C/C[NH2+]C/C=C/Cl ZINC001321420090 959779708 /nfs/dbraw/zinc/77/97/08/959779708.db2.gz RLVSYKOSVWGKBU-YTXTXJHMSA-N 2 0 273.808 1.341 10 0 CDAERP CC1CCC(C[N@@H+]2CC[C@@H](NC(=O)CC[NH+](C)C)C2)CC1 ZINC001370016977 959959107 /nfs/dbraw/zinc/95/91/07/959959107.db2.gz NEWOIBUVGIDGNZ-UYSNPLJNSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+][C@H]1CCc2ccccc21 ZINC001371343232 972477887 /nfs/dbraw/zinc/47/78/87/972477887.db2.gz FKQITBOCOZTRGH-CJNGLKHVSA-N 2 0 289.423 1.720 10 0 CDAERP CCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1CCC ZINC001322167809 960118834 /nfs/dbraw/zinc/11/88/34/960118834.db2.gz GDBWNWVVPQMGGV-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cncs2)C1 ZINC001370732793 960191503 /nfs/dbraw/zinc/19/15/03/960191503.db2.gz ORFKJNBXZGYVMV-TXEJJXNPSA-N 2 0 296.440 1.220 10 0 CDAERP C[C@@H](F)CC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001322442612 960221846 /nfs/dbraw/zinc/22/18/46/960221846.db2.gz NTTDDWPHYAVGHG-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP COC[C@@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001322506135 960242126 /nfs/dbraw/zinc/24/21/26/960242126.db2.gz XDBQUVKRBNXGLN-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP CC[NH2+]CCC1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001495415854 972493970 /nfs/dbraw/zinc/49/39/70/972493970.db2.gz OZRWLYMMTYJGIN-INIZCTEOSA-N 2 0 293.455 1.566 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001433711011 960547716 /nfs/dbraw/zinc/54/77/16/960547716.db2.gz BJYSLGOUPCDQNO-CABCVRRESA-N 2 0 281.444 1.519 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CCC3(C[NH+](C)C3)C2)C1 ZINC001433953738 960805957 /nfs/dbraw/zinc/80/59/57/960805957.db2.gz ZPUTXZDYVCTTFG-ZIAGYGMSSA-N 2 0 279.428 1.271 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@@H+]1CCF ZINC001418761318 960990748 /nfs/dbraw/zinc/99/07/48/960990748.db2.gz WGUNQYLAGUQSOM-LSDHHAIUSA-N 2 0 299.434 1.801 10 0 CDAERP COC[C@H](C)[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001418834908 961080488 /nfs/dbraw/zinc/08/04/88/961080488.db2.gz UHMGHFHJCJDYEP-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@H]([NH2+]CCF)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001418845849 961089752 /nfs/dbraw/zinc/08/97/52/961089752.db2.gz OKBZIJKSFXKNJI-KGLIPLIRSA-N 2 0 299.434 1.514 10 0 CDAERP C[C@H](F)CC[NH+]1CC(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001419034691 961285125 /nfs/dbraw/zinc/28/51/25/961285125.db2.gz GKHSKBJNNUJPOL-QWHCGFSZSA-N 2 0 285.407 1.124 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC[C@@H](C)F ZINC001419056938 961316544 /nfs/dbraw/zinc/31/65/44/961316544.db2.gz IKNXEMOKHSQETQ-RDBSUJKOSA-N 2 0 285.407 1.361 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001419172891 961466784 /nfs/dbraw/zinc/46/67/84/961466784.db2.gz JTDGTPRBAVIPAX-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](C[NH2+]C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1)OC ZINC001419577574 961829216 /nfs/dbraw/zinc/82/92/16/961829216.db2.gz ILKFCCRNAHPVFC-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCC[NH+](CCCF)C1 ZINC001437006180 962556744 /nfs/dbraw/zinc/55/67/44/962556744.db2.gz RDBVBDDTMYWLMN-CQSZACIVSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)OCC[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001437040877 962576976 /nfs/dbraw/zinc/57/69/76/962576976.db2.gz KBDZTIICQDJFIU-HNNXBMFYSA-N 2 0 299.459 1.334 10 0 CDAERP Cc1cc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C)cs1 ZINC001437119321 962647036 /nfs/dbraw/zinc/64/70/36/962647036.db2.gz CEJYPDSPNATNFY-RISCZKNCSA-N 2 0 295.452 1.745 10 0 CDAERP C[NH+](C)CCCC(=O)NCC[N@H+](C)CCC(C)(C)C ZINC001420291498 962692709 /nfs/dbraw/zinc/69/27/09/962692709.db2.gz GCVGALWKMFFNCZ-UHFFFAOYSA-N 2 0 271.449 1.812 10 0 CDAERP Cc1noc(C)c1C[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001420375598 962808249 /nfs/dbraw/zinc/80/82/49/962808249.db2.gz FYBCBEIRPGFFRC-LLVKDONJSA-N 2 0 296.415 1.226 10 0 CDAERP CC[C@H](C[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCCC1)OC ZINC001420490471 962971826 /nfs/dbraw/zinc/97/18/26/962971826.db2.gz BCNFZNRMWJWAEJ-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CC1CCCC1 ZINC001437647908 963085432 /nfs/dbraw/zinc/08/54/32/963085432.db2.gz PVXUIZTYHAOPFB-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]C/C=C/Cl)C1 ZINC001438009014 963281403 /nfs/dbraw/zinc/28/14/03/963281403.db2.gz WAHHNYVALVXHIB-YUZRODSESA-N 2 0 285.819 1.414 10 0 CDAERP C[C@@H](C(=O)NC[C@H]1CC[N@@H+]1CCCF)[NH+]1CCCCCC1 ZINC001420871147 963320170 /nfs/dbraw/zinc/32/01/70/963320170.db2.gz PWGURGCSVSNSEL-LSDHHAIUSA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)C[C@H](C)C[N@@H+]1CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001420899014 963339110 /nfs/dbraw/zinc/33/91/10/963339110.db2.gz FNKWEHVBSQSXIP-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP CCN(C(=O)CC[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CC)C1 ZINC001438255266 963388636 /nfs/dbraw/zinc/38/86/36/963388636.db2.gz DSWVVMMRPVWXPP-LSDHHAIUSA-N 2 0 281.444 1.804 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H](CC)CNC(=O)C12CC[NH+](CC1)C2 ZINC001438372469 963433683 /nfs/dbraw/zinc/43/36/83/963433683.db2.gz GQGGSCFSVMLLDX-CHWSQXEVSA-N 2 0 285.407 1.315 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@](C)(C[NH2+]CC1CCC1)C1CC1 ZINC001438419791 963442522 /nfs/dbraw/zinc/44/25/22/963442522.db2.gz HVLWWGULGXMZBA-INIZCTEOSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]CC1CCCC1 ZINC001438554054 963482640 /nfs/dbraw/zinc/48/26/40/963482640.db2.gz YWBDVYPLSVJZQD-DZGCQCFKSA-N 2 0 281.444 1.470 10 0 CDAERP C[C@H](C[NH2+]CC1CC(C)(C)C1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001438722331 963532725 /nfs/dbraw/zinc/53/27/25/963532725.db2.gz LYUVMHBRJFBPCN-HIFRSBDPSA-N 2 0 295.471 1.811 10 0 CDAERP COC[C@H](C)[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001438901127 963592763 /nfs/dbraw/zinc/59/27/63/963592763.db2.gz GKUZRIWSMXXCMA-KKUMJFAQSA-N 2 0 299.459 1.142 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001439171149 963662041 /nfs/dbraw/zinc/66/20/41/963662041.db2.gz VGMXAMNCQMPLST-UKRRQHHQSA-N 2 0 283.460 1.859 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001439171143 963662381 /nfs/dbraw/zinc/66/23/81/963662381.db2.gz VGMXAMNCQMPLST-DZGCQCFKSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@H](C[N@H+](C)CC1CC(C)(C)C1)NC(=O)[C@@H]1CCC[NH+]1C ZINC001439315094 963716162 /nfs/dbraw/zinc/71/61/62/963716162.db2.gz RXJXXOOZDIQXGZ-HIFRSBDPSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@H](C[N@H+](C)CC1CC1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001439325471 963724806 /nfs/dbraw/zinc/72/48/06/963724806.db2.gz JRKDAQOXJWMJOT-IUODEOHRSA-N 2 0 279.428 1.175 10 0 CDAERP CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]CCC1CC1 ZINC001439514947 963781583 /nfs/dbraw/zinc/78/15/83/963781583.db2.gz NOHKTGWLGFSZPV-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H]([NH2+]C/C=C/Cl)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001440129058 963932427 /nfs/dbraw/zinc/93/24/27/963932427.db2.gz UXQIYZNLCGVHIY-CNPQOGTOSA-N 2 0 299.846 1.661 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+]CC2CCC2)C1 ZINC001440362220 963998744 /nfs/dbraw/zinc/99/87/44/963998744.db2.gz LNWGVJCVTULWTQ-SHTZXODSSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)OCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001440938418 964271103 /nfs/dbraw/zinc/27/11/03/964271103.db2.gz VCIZLFYTIHNHHW-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH+](C)CC1CCC1 ZINC001441005695 964324726 /nfs/dbraw/zinc/32/47/26/964324726.db2.gz REIIMHBPDANPGF-DZGCQCFKSA-N 2 0 281.444 1.565 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H](C)C1C[NH+](CC2CCCC2)C1 ZINC001441214972 964421720 /nfs/dbraw/zinc/42/17/20/964421720.db2.gz OHJNWZOELDKVSL-CQSZACIVSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001441390436 964493167 /nfs/dbraw/zinc/49/31/67/964493167.db2.gz FUCUXOWOKMCKRN-DHGKCCLASA-N 2 0 285.407 1.312 10 0 CDAERP CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]21 ZINC001441883115 964765037 /nfs/dbraw/zinc/76/50/37/964765037.db2.gz VKKVNPNBPAVGTB-RRFJBIMHSA-N 2 0 281.444 1.563 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]CC2CC2)C1 ZINC001441904777 964776543 /nfs/dbraw/zinc/77/65/43/964776543.db2.gz WFMXDAJDOWERLK-CABCVRRESA-N 2 0 281.444 1.611 10 0 CDAERP CCCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001442073304 964856444 /nfs/dbraw/zinc/85/64/44/964856444.db2.gz XNHVTZUDVUAMQK-LSDHHAIUSA-N 2 0 299.459 1.022 10 0 CDAERP CC[NH+]1CCC(CNC(=O)CC[N@@H+]2CC[C@@H](F)C2)CC1 ZINC001442121523 964876630 /nfs/dbraw/zinc/87/66/30/964876630.db2.gz ZQEQJTAWBUQJPK-CQSZACIVSA-N 2 0 285.407 1.268 10 0 CDAERP CC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)CC[C@@H](C)F ZINC001442727294 965191384 /nfs/dbraw/zinc/19/13/84/965191384.db2.gz NGYSJUBHTNQGED-CYBMUJFWSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H]1CC[NH+](CCF)C1 ZINC001443219947 965404940 /nfs/dbraw/zinc/40/49/40/965404940.db2.gz NUVQYSNZXTYXDU-LSDHHAIUSA-N 2 0 299.434 1.657 10 0 CDAERP CC[N@@H+]1CC[C@@H]1C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC001443457306 965476998 /nfs/dbraw/zinc/47/69/98/965476998.db2.gz GPQKQNISEKMPET-CQSZACIVSA-N 2 0 267.417 1.271 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC1C[NH+](CC2CCCCC2)C1 ZINC001443652200 965550719 /nfs/dbraw/zinc/55/07/19/965550719.db2.gz JBUWVVHIKDFDIN-UHFFFAOYSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C1([NH+](C)C)CCCC1 ZINC001443867027 965638957 /nfs/dbraw/zinc/63/89/57/965638957.db2.gz FDMJDKVPQITYOU-CQSZACIVSA-N 2 0 281.444 1.851 10 0 CDAERP CC1(NC(=O)C[NH+]2CCCC2)CC[NH+](CC2CC2)CC1 ZINC001446477803 966551748 /nfs/dbraw/zinc/55/17/48/966551748.db2.gz NYRDPKARTNILJT-UHFFFAOYSA-N 2 0 279.428 1.463 10 0 CDAERP C[C@@H](F)CC[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CCC1 ZINC001447249706 966733644 /nfs/dbraw/zinc/73/36/44/966733644.db2.gz LAAJZLRIGBORAM-CYBMUJFWSA-N 2 0 297.418 1.459 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)CCC(C)(C)C ZINC001448147222 967014317 /nfs/dbraw/zinc/01/43/17/967014317.db2.gz KYLCSBOREFZHIJ-UONOGXRCSA-N 2 0 283.460 1.811 10 0 CDAERP CCC[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001449003975 967329498 /nfs/dbraw/zinc/32/94/98/967329498.db2.gz AJNPAXBLQXAWIZ-GDBMZVCRSA-N 2 0 281.444 1.850 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC[N@H+](C)C2CC2)C1 ZINC001544050781 967334227 /nfs/dbraw/zinc/33/42/27/967334227.db2.gz NCJDOHKYPBNZMP-TZMCWYRMSA-N 2 0 267.417 1.317 10 0 CDAERP C[NH+](C)C1(C(=O)N2CCC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC001353371719 967931508 /nfs/dbraw/zinc/93/15/08/967931508.db2.gz YPLARDPUPBSDFF-UHFFFAOYSA-N 2 0 267.417 1.460 10 0 CDAERP C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCC[NH+]3CCCC3)[C@H]2C1 ZINC001529327403 969029406 /nfs/dbraw/zinc/02/94/06/969029406.db2.gz ISJOZNBSIRTHSW-HRCADAONSA-N 2 0 293.455 1.709 10 0 CDAERP C[C@@H]1CCC[C@@H](C[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC001460339567 969500407 /nfs/dbraw/zinc/50/04/07/969500407.db2.gz MSRBDSMUELTPIC-HUUCEWRRSA-N 2 0 281.444 1.519 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)CN1CC[NH+](C2CCCC2)[C@H](C)C1 ZINC001460776653 969540730 /nfs/dbraw/zinc/54/07/30/969540730.db2.gz HXUBJBFCUWTQKW-WBVHZDCISA-N 2 0 297.487 1.636 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC001464824164 969821867 /nfs/dbraw/zinc/82/18/67/969821867.db2.gz FEQKHQODBDFOJV-CHWSQXEVSA-N 2 0 255.406 1.127 10 0 CDAERP CC(C)[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001361773679 970514831 /nfs/dbraw/zinc/51/48/31/970514831.db2.gz JGQWFRILLXVTOW-HNNXBMFYSA-N 2 0 281.444 1.659 10 0 CDAERP CC(C)[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001496136007 972810147 /nfs/dbraw/zinc/81/01/47/972810147.db2.gz BYTORQAIFIDNJB-STQMWFEESA-N 2 0 255.406 1.316 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]CC[C@@H]1CCCO1 ZINC001496252236 972859280 /nfs/dbraw/zinc/85/92/80/972859280.db2.gz XJLQBKWQFCRDSG-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001496837110 973102125 /nfs/dbraw/zinc/10/21/25/973102125.db2.gz YIXFZFVNZVAHTQ-UONOGXRCSA-N 2 0 269.433 1.374 10 0 CDAERP Cc1cnc([C@@H](C)[NH2+]CC[C@@H](C)NC(=O)CC[NH+](C)C)o1 ZINC001497266172 973267234 /nfs/dbraw/zinc/26/72/34/973267234.db2.gz XHSGQVQMQQXGCP-DGCLKSJQSA-N 2 0 296.415 1.480 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CC[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001373249241 973326198 /nfs/dbraw/zinc/32/61/98/973326198.db2.gz WQQPLWAILMLGSB-LSDHHAIUSA-N 2 0 299.434 1.659 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC/C=C\C[NH2+]CC[C@@H](C)F)CC[N@@H+]1C ZINC001497586707 973422266 /nfs/dbraw/zinc/42/22/66/973422266.db2.gz XUOXDFTYMQAMTF-JZDAOAOOSA-N 2 0 299.434 1.727 10 0 CDAERP CCC[NH2+]C/C=C/CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001497586521 973422528 /nfs/dbraw/zinc/42/25/28/973422528.db2.gz WGXOYYZPSGLWDG-XGACYXMMSA-N 2 0 265.401 1.000 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CCC1CC1 ZINC001497649966 973448204 /nfs/dbraw/zinc/44/82/04/973448204.db2.gz MOJHONJDQVMFOV-BAABZTOOSA-N 2 0 265.401 1.143 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC1CC1 ZINC001497762354 973490494 /nfs/dbraw/zinc/49/04/94/973490494.db2.gz HCLHUANANLTYRK-FOSCPCJNSA-N 2 0 279.428 1.533 10 0 CDAERP CC[C@H](C(=O)N1CC[C@H]([NH2+]C[C@@H](F)CC)C1)[NH+](C)C ZINC001418040254 973543527 /nfs/dbraw/zinc/54/35/27/973543527.db2.gz AQKHQKVXJKQKIK-RWMBFGLXSA-N 2 0 273.396 1.265 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001418112785 973590580 /nfs/dbraw/zinc/59/05/80/973590580.db2.gz IUASOMCWKKBMDI-GASCZTMLSA-N 2 0 295.471 2.000 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+]CC=C(C)C ZINC001497969362 973593996 /nfs/dbraw/zinc/59/39/96/973593996.db2.gz REYGXMCOXPEQDV-CYBMUJFWSA-N 2 0 255.406 1.389 10 0 CDAERP CCCC[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001498106938 973684856 /nfs/dbraw/zinc/68/48/56/973684856.db2.gz UPDUHIFMBSPSJU-QWHCGFSZSA-N 2 0 257.422 1.467 10 0 CDAERP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CCC(F)(F)F ZINC001418300212 973737513 /nfs/dbraw/zinc/73/75/13/973737513.db2.gz JHMYNIVYQGQUPS-WDEREUQCSA-N 2 0 295.349 1.375 10 0 CDAERP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]C[C@H]1CCCCO1 ZINC001418433657 973822812 /nfs/dbraw/zinc/82/28/12/973822812.db2.gz SUCDPPJZULNSOC-HUUCEWRRSA-N 2 0 297.443 1.136 10 0 CDAERP C[C@H](C[NH2+]Cc1cncs1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001374205375 973832119 /nfs/dbraw/zinc/83/21/19/973832119.db2.gz HLNOJRIONMQXBW-DGCLKSJQSA-N 2 0 296.440 1.174 10 0 CDAERP CC[C@@H](C(=O)NCC[N@H+](C)C[C@H]1CC(C)(C)CO1)[NH+](C)C ZINC001418496877 973904065 /nfs/dbraw/zinc/90/40/65/973904065.db2.gz ZXVAAYTVMSOUIW-KGLIPLIRSA-N 2 0 299.459 1.190 10 0 CDAERP CN(CC[N@H+](C)Cc1ccsc1)C(=O)CCC[NH+](C)C ZINC001374527389 973999848 /nfs/dbraw/zinc/99/98/48/973999848.db2.gz GKQQRCIIVNWATC-UHFFFAOYSA-N 2 0 297.468 1.980 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@H](NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001498816971 974070735 /nfs/dbraw/zinc/07/07/35/974070735.db2.gz JCLTVZCFWSFBLK-WFASDCNBSA-N 2 0 299.434 1.561 10 0 CDAERP C[C@H](C[NH2+][C@@H](C)c1ccccc1)NC(=O)C[NH+]1CCCC1 ZINC001374845665 974144616 /nfs/dbraw/zinc/14/46/16/974144616.db2.gz CSRUVPQBEVUTPM-CABCVRRESA-N 2 0 289.423 1.938 10 0 CDAERP Cc1cccc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001374873406 974161009 /nfs/dbraw/zinc/16/10/09/974161009.db2.gz PJLBGIKHAPVUSQ-HOCLYGCPSA-N 2 0 289.423 1.684 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1CC1)C1CC1 ZINC001375236876 974301089 /nfs/dbraw/zinc/30/10/89/974301089.db2.gz BKQHUVISEKRGLZ-GJZGRUSLSA-N 2 0 279.428 1.365 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC ZINC001375612418 974436149 /nfs/dbraw/zinc/43/61/49/974436149.db2.gz DDKSBMXMJFIVDO-QLFBSQMISA-N 2 0 299.434 1.752 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@]2(C)CC[NH+](CCCF)C2)C1 ZINC001375844311 974492854 /nfs/dbraw/zinc/49/28/54/974492854.db2.gz BNTGUFYDPNCVFA-DZGCQCFKSA-N 2 0 285.407 1.268 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]2C[NH+](CC)CC[C@H]21 ZINC001376450249 974666605 /nfs/dbraw/zinc/66/66/05/974666605.db2.gz JRSDYQPFMJUALN-HUUCEWRRSA-N 2 0 281.444 1.661 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC[C@@H](C)F)C1)[NH+](C)C ZINC001376467476 974668502 /nfs/dbraw/zinc/66/85/02/974668502.db2.gz ADHMAXGSNKILGI-FVCCEPFGSA-N 2 0 273.396 1.312 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCCF ZINC001376514196 974677525 /nfs/dbraw/zinc/67/75/25/974677525.db2.gz PPZYZDCFKFVPGA-UONOGXRCSA-N 2 0 285.407 1.363 10 0 CDAERP Cc1ncoc1C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001376799173 974774056 /nfs/dbraw/zinc/77/40/56/974774056.db2.gz ZEXWPCYTUMDOKL-AAEUAGOBSA-N 2 0 294.399 1.062 10 0 CDAERP CCCC[NH2+][C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001502750075 974775031 /nfs/dbraw/zinc/77/50/31/974775031.db2.gz AEXLEFQAMJOFCA-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP Cc1oncc1C[NH2+][C@@H](C)CCNC(=O)C[NH+]1CCCC1 ZINC001377108210 974884868 /nfs/dbraw/zinc/88/48/68/974884868.db2.gz LCEMDLGBNGWWNA-LBPRGKRZSA-N 2 0 294.399 1.063 10 0 CDAERP C[N@H+](C/C=C/Cl)C[C@@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001505460852 974887194 /nfs/dbraw/zinc/88/71/94/974887194.db2.gz BPZYSCQHGBCRMP-SZBGIYDQSA-N 2 0 299.846 1.613 10 0 CDAERP CC[C@H](C(=O)NCC[N@H+](C)C[C@H]1CC(C)(C)CO1)[NH+](C)C ZINC001377186204 974917473 /nfs/dbraw/zinc/91/74/73/974917473.db2.gz ZXVAAYTVMSOUIW-ZIAGYGMSSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)C[C@@H](C)C[N@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001377262662 974949218 /nfs/dbraw/zinc/94/92/18/974949218.db2.gz XLYMFCNLAPMUHX-OAHLLOKOSA-N 2 0 283.460 1.812 10 0 CDAERP CC(C)OCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001505685949 974962124 /nfs/dbraw/zinc/96/21/24/974962124.db2.gz JYGLDTFTTZGSDQ-UONOGXRCSA-N 2 0 299.459 1.236 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C)([NH2+]CCF)CC1 ZINC001377299502 974967374 /nfs/dbraw/zinc/96/73/74/974967374.db2.gz KILMOFBFCLCSMY-ZDUSSCGKSA-N 2 0 285.407 1.411 10 0 CDAERP CCCC[NH2+][C@@H](C)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001505754547 974982609 /nfs/dbraw/zinc/98/26/09/974982609.db2.gz UREXKEBPHPYKCG-STQMWFEESA-N 2 0 255.406 1.365 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001377406478 975010779 /nfs/dbraw/zinc/01/07/79/975010779.db2.gz XEIWRTABVXDVDR-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP C[NH+](C)C1(C(=O)NC[C@@H]2CC[N@H+](CCC3CC3)C2)CCC1 ZINC001377446293 975031113 /nfs/dbraw/zinc/03/11/13/975031113.db2.gz WIMZFYMWYVTPHS-HNNXBMFYSA-N 2 0 293.455 1.709 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH+](C)CCOC)C1 ZINC001505986039 975073873 /nfs/dbraw/zinc/07/38/73/975073873.db2.gz ODYNSQJEOYSUBK-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP CCCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+](C(C)C)C1 ZINC001377664360 975104548 /nfs/dbraw/zinc/10/45/48/975104548.db2.gz QZGLIDCUYJYUBF-HNNXBMFYSA-N 2 0 293.455 1.804 10 0 CDAERP Cc1ncc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[NH+]2CCCC2)o1 ZINC001377916076 975173945 /nfs/dbraw/zinc/17/39/45/975173945.db2.gz SLPQTFWIMLHHRG-NWDGAFQWSA-N 2 0 294.399 1.062 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[N@H+](CC2CCC2)CC1(C)C ZINC001506748334 975215943 /nfs/dbraw/zinc/21/59/43/975215943.db2.gz KDJUMGDQWYMDDZ-AWEZNQCLSA-N 2 0 281.444 1.565 10 0 CDAERP CCCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001506780626 975222773 /nfs/dbraw/zinc/22/27/73/975222773.db2.gz YKGGMIPXBJHDNF-LVQVYYBASA-N 2 0 293.455 1.565 10 0 CDAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)N(C)C/C=C\Cl ZINC001378180476 975272831 /nfs/dbraw/zinc/27/28/31/975272831.db2.gz DTFCYRHGASRWFJ-RYBZSIHZSA-N 2 0 285.819 1.271 10 0 CDAERP CC(C)C[NH2+]C[C@](C)(NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001378433377 975349718 /nfs/dbraw/zinc/34/97/18/975349718.db2.gz MUJCFLCRCLIXJX-BBRMVZONSA-N 2 0 281.444 1.469 10 0 CDAERP CCCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001507155695 975357668 /nfs/dbraw/zinc/35/76/68/975357668.db2.gz SUNWDXKNVSTTPX-QWHCGFSZSA-N 2 0 255.406 1.175 10 0 CDAERP CCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001507322878 975415854 /nfs/dbraw/zinc/41/58/54/975415854.db2.gz UPGLLHGCQQPZGH-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001378726828 975459013 /nfs/dbraw/zinc/45/90/13/975459013.db2.gz PRYYDLYECWMHQV-LVQVYYBASA-N 2 0 295.471 1.811 10 0 CDAERP CC(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001378747787 975473800 /nfs/dbraw/zinc/47/38/00/975473800.db2.gz IFHURFUUBWIIGZ-LVQVYYBASA-N 2 0 295.471 1.523 10 0 CDAERP CCC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001397215069 975499456 /nfs/dbraw/zinc/49/94/56/975499456.db2.gz LZXZIOIVWUYFFQ-CABCVRRESA-N 2 0 299.459 1.022 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC2CC2)C1 ZINC001378824985 975506916 /nfs/dbraw/zinc/50/69/16/975506916.db2.gz TWEHMCYGDBDSAW-GDBMZVCRSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001378853169 975516916 /nfs/dbraw/zinc/51/69/16/975516916.db2.gz SWTWHCSEBYKLEC-MGPQQGTHSA-N 2 0 299.434 1.561 10 0 CDAERP CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccns1)[NH+](C)C ZINC001401251700 975545675 /nfs/dbraw/zinc/54/56/75/975545675.db2.gz JEKIOYOLYXHKRO-WCQYABFASA-N 2 0 298.456 1.420 10 0 CDAERP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1C[NH2+]CC1CCC1 ZINC001401310993 975576700 /nfs/dbraw/zinc/57/67/00/975576700.db2.gz MOBAOQARLSIRQJ-GDBMZVCRSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)C1(C(=O)NCC2=CC[N@H+](CCCF)CC2)CCC1 ZINC001508206439 975639509 /nfs/dbraw/zinc/63/95/09/975639509.db2.gz MJQWINBYSWTFSF-UHFFFAOYSA-N 2 0 297.418 1.579 10 0 CDAERP CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001397583754 975646606 /nfs/dbraw/zinc/64/66/06/975646606.db2.gz UZMFLEIJQMSENT-CZUORRHYSA-N 2 0 299.434 1.752 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001397695237 975682503 /nfs/dbraw/zinc/68/25/03/975682503.db2.gz XQONXMFHEBXLEK-AJNGGQMLSA-N 2 0 299.434 1.561 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)CC[N@@H+]1CC(C)C ZINC001397750118 975701154 /nfs/dbraw/zinc/70/11/54/975701154.db2.gz VQEIBGURYMDOEE-LSDHHAIUSA-N 2 0 283.460 1.952 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]CC1CCCC1 ZINC001379322262 975765308 /nfs/dbraw/zinc/76/53/08/975765308.db2.gz KUOZNIAFSZWKPA-CQSZACIVSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccns1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001401692436 975805645 /nfs/dbraw/zinc/80/56/45/975805645.db2.gz JTDOHKAJMBLSAM-AAEUAGOBSA-N 2 0 296.440 1.222 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC2(C[NH+](CC3CC3)C2)CC1 ZINC001405790424 975866287 /nfs/dbraw/zinc/86/62/87/975866287.db2.gz MRWKMQJXPVFWFR-UHFFFAOYSA-N 2 0 279.428 1.273 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001389506337 975875990 /nfs/dbraw/zinc/87/59/90/975875990.db2.gz KILZSDQQLQCSSF-CABCVRRESA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](C(C)C)C1)[NH+]1CCCC1 ZINC001389515343 975880809 /nfs/dbraw/zinc/88/08/09/975880809.db2.gz ZUCGBNDNUBTKLQ-LSDHHAIUSA-N 2 0 281.444 1.706 10 0 CDAERP C[C@H](C[NH2+]Cc1nccs1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001405878032 975920698 /nfs/dbraw/zinc/92/06/98/975920698.db2.gz BHVZMYDQTNIMBF-NEPJUHHUSA-N 2 0 296.440 1.031 10 0 CDAERP Cc1cc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)cs1 ZINC001379599555 975945021 /nfs/dbraw/zinc/94/50/21/975945021.db2.gz NMMRDCBFJFRISQ-FZMZJTMJSA-N 2 0 295.452 1.603 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]([NH2+]C/C=C/Cl)C1CC1)[NH+](C)C ZINC001398397710 975971275 /nfs/dbraw/zinc/97/12/75/975971275.db2.gz QFULGJXKTICCQI-IURQOMBCSA-N 2 0 287.835 1.564 10 0 CDAERP C[C@H](F)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+](C)C ZINC001398483170 976004887 /nfs/dbraw/zinc/00/48/87/976004887.db2.gz VXNJAUAQFGDRSP-SOUVJXGZSA-N 2 0 299.434 1.752 10 0 CDAERP C[NH+]1CCC(C(=O)NCC2([NH2+]CC3CCCC3)CC2)CC1 ZINC001401965414 976045257 /nfs/dbraw/zinc/04/52/57/976045257.db2.gz ULZMXCYNFSREQL-UHFFFAOYSA-N 2 0 293.455 1.757 10 0 CDAERP Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)CC[NH+](C)C)C2)sn1 ZINC001398625943 976081098 /nfs/dbraw/zinc/08/10/98/976081098.db2.gz OIJNLRDDBJZPPS-TXEJJXNPSA-N 2 0 296.440 1.140 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H](NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001379898907 976120010 /nfs/dbraw/zinc/12/00/10/976120010.db2.gz YWKLWFUQDZZVGL-BBRMVZONSA-N 2 0 295.471 1.859 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1cccnc1)[NH+](C)C ZINC001406620498 976308037 /nfs/dbraw/zinc/30/80/37/976308037.db2.gz KJKOSGKABCBFKQ-DZGCQCFKSA-N 2 0 292.427 1.358 10 0 CDAERP Cc1ncoc1C[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001390512448 976344966 /nfs/dbraw/zinc/34/49/66/976344966.db2.gz WHMIWWXVCZIINX-FZMZJTMJSA-N 2 0 296.415 1.164 10 0 CDAERP CC(C)OCC[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001399296799 976417127 /nfs/dbraw/zinc/41/71/27/976417127.db2.gz ZLQHBQLKONDYMJ-OAHLLOKOSA-N 2 0 299.459 1.286 10 0 CDAERP COC[C@H](C)[NH2+]C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001402760260 976469654 /nfs/dbraw/zinc/46/96/54/976469654.db2.gz WXSREDMAKSTHQT-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001407177455 976593768 /nfs/dbraw/zinc/59/37/68/976593768.db2.gz HYTQHYCQUCSSBB-HOCLYGCPSA-N 2 0 281.444 1.709 10 0 CDAERP CC[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001407525324 976689562 /nfs/dbraw/zinc/68/95/62/976689562.db2.gz AGJPAEGMZHOKHA-HOTGVXAUSA-N 2 0 295.471 1.957 10 0 CDAERP CCC(CC)C[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001391103180 976690826 /nfs/dbraw/zinc/69/08/26/976690826.db2.gz ZOYPIXZDFDNGBL-OAHLLOKOSA-N 2 0 283.460 1.812 10 0 CDAERP CC[N@@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001381164532 976699109 /nfs/dbraw/zinc/69/91/09/976699109.db2.gz CZIHVDJOXFKHBS-KGLIPLIRSA-N 2 0 297.443 1.086 10 0 CDAERP CCC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)CC[C@H](C)F ZINC001391140020 976719736 /nfs/dbraw/zinc/71/97/36/976719736.db2.gz IOBJGLVMAJYJCY-AWEZNQCLSA-N 2 0 299.434 1.659 10 0 CDAERP CCCC[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001400034347 976816272 /nfs/dbraw/zinc/81/62/72/976816272.db2.gz WMTYVRRBKFRTAY-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccns1 ZINC001381432932 976824414 /nfs/dbraw/zinc/82/44/14/976824414.db2.gz GPDGYHNCKGZYIX-NEPJUHHUSA-N 2 0 298.456 1.468 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC(C)([NH2+]C/C=C/Cl)CC2)C1 ZINC001408085895 976907427 /nfs/dbraw/zinc/90/74/27/976907427.db2.gz FULHGFMBZQAZBL-LPZVBRGNSA-N 2 0 299.846 1.661 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCCF)[C@@H](C)C1 ZINC001408177099 976952854 /nfs/dbraw/zinc/95/28/54/976952854.db2.gz MUFKPFBUXGHMLB-UONOGXRCSA-N 2 0 287.423 1.655 10 0 CDAERP Cc1ncccc1C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001391561403 976961699 /nfs/dbraw/zinc/96/16/99/976961699.db2.gz NRJXNUKDPUWKRU-HNNXBMFYSA-N 2 0 290.411 1.032 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@H+](C)C/C=C/Cl ZINC001408342779 977018387 /nfs/dbraw/zinc/01/83/87/977018387.db2.gz NVCFTRLDMUDVBI-OQHXTRMZSA-N 2 0 287.835 1.613 10 0 CDAERP CCC[NH2+][C@@H](C)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001403568359 977073825 /nfs/dbraw/zinc/07/38/25/977073825.db2.gz KYUIRUNPDVGICO-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCC(F)(F)F)C1 ZINC001400621704 977114939 /nfs/dbraw/zinc/11/49/39/977114939.db2.gz UCBQNGNOZYHFEP-JTQLQIEISA-N 2 0 281.322 1.081 10 0 CDAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]CC1CC(C)C1 ZINC001391960077 977164583 /nfs/dbraw/zinc/16/45/83/977164583.db2.gz KQDQNCRBUXBLTR-SHARSMKWSA-N 2 0 281.444 1.470 10 0 CDAERP C[C@H](F)CC[NH2+][C@@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001382166332 977197410 /nfs/dbraw/zinc/19/74/10/977197410.db2.gz WXBLUROWXFDVEZ-STQMWFEESA-N 2 0 273.396 1.267 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CC[C@H](C)F ZINC001403851606 977229551 /nfs/dbraw/zinc/22/95/51/977229551.db2.gz MXQLUDGDGQQUMK-DZGCQCFKSA-N 2 0 299.434 1.514 10 0 CDAERP CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]21 ZINC001382326396 977252987 /nfs/dbraw/zinc/25/29/87/977252987.db2.gz GUFNUOYMAMFMBH-OWCLPIDISA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@H](C(=O)N(C)C1CC([NH2+]C/C=C/Cl)C1)[NH+](C)C ZINC001382578340 977311708 /nfs/dbraw/zinc/31/17/08/977311708.db2.gz KIBHPUGDGREURP-CCMKANHRSA-N 2 0 287.835 1.658 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001392316219 977404713 /nfs/dbraw/zinc/40/47/13/977404713.db2.gz AOBKBLNQPWNKSS-KBPBESRZSA-N 2 0 287.423 1.467 10 0 CDAERP C[C@H](F)CC[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001392907087 977649306 /nfs/dbraw/zinc/64/93/06/977649306.db2.gz HDVOOPKVDBJCGJ-UONOGXRCSA-N 2 0 299.434 1.847 10 0 CDAERP CCCC[N@@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001392992406 977668065 /nfs/dbraw/zinc/66/80/65/977668065.db2.gz PUJBSUWPDDUNMM-INIZCTEOSA-N 2 0 281.444 1.663 10 0 CDAERP CC[N@H+](CC1CCN(C(=O)CC[NH+](C)C)CC1)C(C)C ZINC001393857565 977934876 /nfs/dbraw/zinc/93/48/76/977934876.db2.gz KRLAJRABGRHKMB-UHFFFAOYSA-N 2 0 283.460 1.907 10 0 CDAERP CC[C@H](F)C[NH2+]CC1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001393906607 977955493 /nfs/dbraw/zinc/95/54/93/977955493.db2.gz JCEYFQLGEIRUGB-MOKVOYLWSA-N 2 0 297.418 1.315 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC1CCOCC1 ZINC001394007440 978003819 /nfs/dbraw/zinc/00/38/19/978003819.db2.gz SUOVETMVKFCIOC-KBPBESRZSA-N 2 0 299.459 1.236 10 0 CDAERP C[C@H](CNC(=O)C[NH+]1CCCC1)N(C)Cc1ccns1 ZINC001394132591 978083439 /nfs/dbraw/zinc/08/34/39/978083439.db2.gz GPSYYNVAXNMXJG-GFCCVEGCSA-N 2 0 296.440 1.175 10 0 CDAERP CC(C)CC[N@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001394400773 978151791 /nfs/dbraw/zinc/15/17/91/978151791.db2.gz SRJGLJRXVSTHMZ-OAHLLOKOSA-N 2 0 295.471 1.907 10 0 CDAERP CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccccc1)[NH+](C)C ZINC001394538196 978196518 /nfs/dbraw/zinc/19/65/18/978196518.db2.gz LOOXDABPAVZJSP-GDBMZVCRSA-N 2 0 291.439 1.963 10 0 CDAERP CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001394568925 978206196 /nfs/dbraw/zinc/20/61/96/978206196.db2.gz VPPPVROOEWFVGP-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@]12CCC[C@H]1[NH+](C(C)C)CC2 ZINC001394682138 978230717 /nfs/dbraw/zinc/23/07/17/978230717.db2.gz DRZCOQKJHUZLOA-ZBFHGGJFSA-N 2 0 281.444 1.848 10 0 CDAERP CCOCCC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001676887439 1174284735 /nfs/dbraw/zinc/28/47/35/1174284735.db2.gz OSGJHMKJGQGYLH-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP CCCCC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001570126669 1170087317 /nfs/dbraw/zinc/08/73/17/1170087317.db2.gz YYQUVNDKYODFTH-AWEZNQCLSA-N 2 0 281.444 1.757 10 0 CDAERP CCC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C ZINC001571562946 1170478652 /nfs/dbraw/zinc/47/86/52/1170478652.db2.gz YUXQSYBDOJFZMC-CYBMUJFWSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000618547993 349479135 /nfs/dbraw/zinc/47/91/35/349479135.db2.gz GIDTYNMVUDVYJC-HUUCEWRRSA-N 2 0 296.459 1.644 10 0 CDAERP C[NH+](C)C1(CNC(=O)N[C@@H]2CCC[N@H+](C)C2)CCCCC1 ZINC000618548242 349479208 /nfs/dbraw/zinc/47/92/08/349479208.db2.gz WNRPZUMZYXLNHR-CQSZACIVSA-N 2 0 296.459 1.644 10 0 CDAERP CO[C@H](C[NH3+])CC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000232113314 342001414 /nfs/dbraw/zinc/00/14/14/342001414.db2.gz BTKXYNNKQRYHTH-HNNXBMFYSA-N 2 0 291.395 1.585 10 0 CDAERP CCOC(=O)CCCC[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000601324956 342553666 /nfs/dbraw/zinc/55/36/66/342553666.db2.gz SGSQIFQAIHUHKF-CYBMUJFWSA-N 2 0 256.390 1.923 10 0 CDAERP CC(C)OC(=O)CC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601334736 342555156 /nfs/dbraw/zinc/55/51/56/342555156.db2.gz MZIUSEHTFIEJJK-QWHCGFSZSA-N 2 0 254.374 1.402 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)CC[N@@H+]1C ZINC000601380355 342558525 /nfs/dbraw/zinc/55/85/25/342558525.db2.gz UISKTRQUNBHLKD-DGAVXFQQSA-N 2 0 299.484 1.221 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)CC[N@@H+]1C ZINC000601380354 342558535 /nfs/dbraw/zinc/55/85/35/342558535.db2.gz UISKTRQUNBHLKD-CRWXNKLISA-N 2 0 299.484 1.221 10 0 CDAERP Cn1cc(CC[NH+]2CCC(CC[NH+](C)C)CC2)nn1 ZINC000625104621 342031238 /nfs/dbraw/zinc/03/12/38/342031238.db2.gz SPLYHDGBELFJTI-UHFFFAOYSA-N 2 0 265.405 1.021 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000136204871 342071507 /nfs/dbraw/zinc/07/15/07/342071507.db2.gz NIMXWFQNGFCCFM-ZFWWWQNUSA-N 2 0 267.417 1.365 10 0 CDAERP COc1c(C[NH2+]CC2(C)CC[NH+](C)CC2)c(C)nn1C ZINC000227327522 140184773 /nfs/dbraw/zinc/18/47/73/140184773.db2.gz WLXVXKUSTITXHK-UHFFFAOYSA-N 2 0 280.416 1.559 10 0 CDAERP C[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000617013317 342604913 /nfs/dbraw/zinc/60/49/13/342604913.db2.gz QXCZYAWTYSQNBG-CYBMUJFWSA-N 2 0 267.417 1.317 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCCN2CCCC2=O)[C@@H](C)C1 ZINC000533529837 282128165 /nfs/dbraw/zinc/12/81/65/282128165.db2.gz UDLPNGHWLXXFKK-GJZGRUSLSA-N 2 0 281.444 1.661 10 0 CDAERP COC(=O)[C@H](CC(C)C)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000592185551 342680069 /nfs/dbraw/zinc/68/00/69/342680069.db2.gz XVYFUOUEPALHOF-AWEZNQCLSA-N 2 0 298.427 1.371 10 0 CDAERP C[NH2+][C@H](C)Cc1noc(CSC2CC[NH2+]CC2)n1 ZINC000592355452 342685047 /nfs/dbraw/zinc/68/50/47/342685047.db2.gz IKZUKTPGJBTTLB-SECBINFHSA-N 2 0 270.402 1.205 10 0 CDAERP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@H]2C[C@H]2C)CC1 ZINC000625457058 342170100 /nfs/dbraw/zinc/17/01/00/342170100.db2.gz IHKYVCQNLMQQHO-ZIAGYGMSSA-N 2 0 254.418 1.715 10 0 CDAERP CCO[C@H](C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1)C1CC1 ZINC000625560130 342187444 /nfs/dbraw/zinc/18/74/44/342187444.db2.gz KQRDCLJBFQDVID-HZPDHXFCSA-N 2 0 282.428 1.333 10 0 CDAERP C(CN1CCOCC1)C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000625772641 342197766 /nfs/dbraw/zinc/19/77/66/342197766.db2.gz FXAATJQZSIGVBF-KGLIPLIRSA-N 2 0 270.442 1.679 10 0 CDAERP CCOc1cccc(C[NH2+]CCOCCC[NH3+])c1 ZINC000629399127 361931562 /nfs/dbraw/zinc/93/15/62/361931562.db2.gz MCMBSQCMMHYOEB-UHFFFAOYSA-N 2 0 252.358 1.540 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C1CCC(COC)CC1 ZINC000423184082 293095364 /nfs/dbraw/zinc/09/53/64/293095364.db2.gz MTYWVBIWEHCRHE-RUXDESIVSA-N 2 0 258.406 1.535 10 0 CDAERP CN(C)c1ccccc1C[NH2+]CCOCCC[NH3+] ZINC000629399346 361936215 /nfs/dbraw/zinc/93/62/15/361936215.db2.gz QFLQNXVXPPPFLB-UHFFFAOYSA-N 2 0 251.374 1.208 10 0 CDAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1N[C@@H]1CC[NH2+][C@H]1C ZINC000629408041 361961213 /nfs/dbraw/zinc/96/12/13/361961213.db2.gz PCRUEZYIJGPMBO-WTTBNOFXSA-N 2 0 273.424 1.847 10 0 CDAERP C[C@H]([NH3+])CCC(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000248840103 361969094 /nfs/dbraw/zinc/96/90/94/361969094.db2.gz FREAFGPGCMYRAD-KKUMJFAQSA-N 2 0 283.460 1.988 10 0 CDAERP C[C@@H]([NH2+]CCC[NH2+][C@@H](C)[C@@H]1CCCO1)[C@@H]1CCCO1 ZINC000183212023 539144015 /nfs/dbraw/zinc/14/40/15/539144015.db2.gz ITRKZESBLAMDRA-XGUBFFRZSA-N 2 0 270.417 1.691 10 0 CDAERP C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000261563299 282199160 /nfs/dbraw/zinc/19/91/60/282199160.db2.gz ANPSJKKISZUXQQ-KGLIPLIRSA-N 2 0 267.417 1.447 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000594946436 342981123 /nfs/dbraw/zinc/98/11/23/342981123.db2.gz PQHLOAUHYPSDSR-AAVRWANBSA-N 2 0 268.401 1.506 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000594922973 342988058 /nfs/dbraw/zinc/98/80/58/342988058.db2.gz COPRZLPABIXHKQ-KCPJHIHWSA-N 2 0 280.412 1.648 10 0 CDAERP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCC1([NH3+])CCOCC1 ZINC000629520436 362134980 /nfs/dbraw/zinc/13/49/80/362134980.db2.gz LBLPKGLLTINFBU-UKRRQHHQSA-N 2 0 277.412 1.042 10 0 CDAERP C[C@@H](C[C@H]1CCCCC[NH2+]1)NCC1([NH3+])CCOCC1 ZINC000629519033 362137330 /nfs/dbraw/zinc/13/73/30/362137330.db2.gz DSBQWNHGCMQBKQ-UONOGXRCSA-N 2 0 269.433 1.395 10 0 CDAERP [NH3+]C1(C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)CCOCC1 ZINC000629523712 362140094 /nfs/dbraw/zinc/14/00/94/362140094.db2.gz IFZWUZCITRDQKO-SOUVJXGZSA-N 2 0 282.428 1.679 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H]1CCCOc2ccccc21 ZINC000629529635 362159051 /nfs/dbraw/zinc/15/90/51/362159051.db2.gz JAWFOPUSZXHUMM-AWEZNQCLSA-N 2 0 264.369 1.726 10 0 CDAERP CN1CCOC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000629532436 362165543 /nfs/dbraw/zinc/16/55/43/362165543.db2.gz AOHZCQKXRZVHLI-YHUYYLMFSA-N 2 0 281.444 1.217 10 0 CDAERP CCc1cccnc1[C@H](C)[NH2+]CCOCC[NH2+]C ZINC000629530142 362161591 /nfs/dbraw/zinc/16/15/91/362161591.db2.gz WQAKHODSWFVSKP-LBPRGKRZSA-N 2 0 251.374 1.531 10 0 CDAERP OCC1(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)COC1 ZINC000089127847 342387708 /nfs/dbraw/zinc/38/77/08/342387708.db2.gz KNVYQOYVTIXZQB-INIZCTEOSA-N 2 0 296.455 1.583 10 0 CDAERP C(C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)OC1CCOCC1 ZINC000629532385 362164395 /nfs/dbraw/zinc/16/43/95/362164395.db2.gz XOWGUFCZYPDIQF-HZPDHXFCSA-N 2 0 296.455 1.894 10 0 CDAERP CN(C(=O)CC[C@@H]1CCCC[N@@H+]1C)[C@H]1CC[NH2+]C1 ZINC000572958928 362250885 /nfs/dbraw/zinc/25/08/85/362250885.db2.gz RPBCWQSZTNERRB-STQMWFEESA-N 2 0 253.390 1.071 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)[C@]1(C)CC[NH2+]C1 ZINC000251698007 344044482 /nfs/dbraw/zinc/04/44/82/344044482.db2.gz IRJIIVBFBLQBDG-VNHYZAJKSA-N 2 0 265.401 1.071 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)NC[C@H]1CCC[NH2+]1 ZINC000257704677 344382115 /nfs/dbraw/zinc/38/21/15/344382115.db2.gz PDOKAKIDKFKPNJ-OLZOCXBDSA-N 2 0 253.390 1.119 10 0 CDAERP COC(=O)CC[NH+]1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000052184599 362478837 /nfs/dbraw/zinc/47/88/37/362478837.db2.gz ABQDERQDCGZIOI-UHFFFAOYSA-N 2 0 282.428 1.993 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000262667370 344696752 /nfs/dbraw/zinc/69/67/52/344696752.db2.gz PYRAVQNJSAEDHR-KFWWJZLASA-N 2 0 281.444 1.885 10 0 CDAERP C[C@H](CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000262674205 344697123 /nfs/dbraw/zinc/69/71/23/344697123.db2.gz QKPQXXKLXVUJEX-FXUDXRNXSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@@H](CCNC(=O)c1c[nH+]ccc1N(C)C)[NH+](C)C ZINC000617756484 345955462 /nfs/dbraw/zinc/95/54/62/345955462.db2.gz HQFGKPCMQURBDG-NSHDSACASA-N 2 0 264.373 1.218 10 0 CDAERP CC[NH+](CC)[C@H]1CCN([C@@H](C)C[C@@](C)(CO)[NH2+]C)C1 ZINC000085213406 178976794 /nfs/dbraw/zinc/97/67/94/178976794.db2.gz XJKIUBZTPQKCJI-KKUMJFAQSA-N 2 0 271.449 1.152 10 0 CDAERP CC[NH2+][C@](C)(CO)CCN1CC[C@H]([NH+](CC)CC)C1 ZINC000085213407 178977487 /nfs/dbraw/zinc/97/74/87/178977487.db2.gz CFGNQTKLVDXGRB-GJZGRUSLSA-N 2 0 271.449 1.153 10 0 CDAERP C[C@@H]1CN(CC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CCO1 ZINC000623403889 346171538 /nfs/dbraw/zinc/17/15/38/346171538.db2.gz KMULWEUDNMVNQF-ZIAGYGMSSA-N 2 0 269.433 1.170 10 0 CDAERP C[C@@H](C(=O)N1CC[C@H]([NH3+])[C@@H]1C)[C@H]([NH3+])c1ccccc1 ZINC000417829870 295747614 /nfs/dbraw/zinc/74/76/14/295747614.db2.gz GPXTTYBBHBDMNI-XWUBHJNHSA-N 2 0 261.369 1.271 10 0 CDAERP CC[NH+](CC)C1CCN(C(=O)[C@H]2CCC[C@H]2[NH3+])CC1 ZINC000085369539 179039370 /nfs/dbraw/zinc/03/93/70/179039370.db2.gz UCTAVXVRWYXOCJ-UONOGXRCSA-N 2 0 267.417 1.447 10 0 CDAERP CC(C)C[C@@H](CNC(=O)[C@H]1CCCC[C@@H]1[NH3+])[NH+](C)C ZINC000085371122 179041166 /nfs/dbraw/zinc/04/11/66/179041166.db2.gz FSXBPCKJWSPXGV-IHRRRGAJSA-N 2 0 269.433 1.596 10 0 CDAERP CC(C)[N@H+](C)CCCCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085373357 179042641 /nfs/dbraw/zinc/04/26/41/179042641.db2.gz QXVSMIKTHCNDDU-OLZOCXBDSA-N 2 0 255.406 1.350 10 0 CDAERP CCNC(=O)C[N@@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403783 179052973 /nfs/dbraw/zinc/05/29/73/179052973.db2.gz MIXGHMYNMWFGEE-CQSZACIVSA-N 2 0 267.417 1.367 10 0 CDAERP C[C@@H](C(=O)NC1CC1)[N@@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403790 179053017 /nfs/dbraw/zinc/05/30/17/179053017.db2.gz CHNFPNDKLIAENK-XJKSGUPXSA-N 2 0 293.455 1.898 10 0 CDAERP O=C(CC[N@@H+]1CCCCC[C@H]1C1CC[NH2+]CC1)NC1CC1 ZINC000085403562 179053414 /nfs/dbraw/zinc/05/34/14/179053414.db2.gz LVPNTSSXYATCAV-INIZCTEOSA-N 2 0 293.455 1.899 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]C[C@]2(O)CCSC2)CC1(C)C ZINC000623439054 346756896 /nfs/dbraw/zinc/75/68/96/346756896.db2.gz UIGHZNXQOCWWTP-DGCLKSJQSA-N 2 0 258.431 1.317 10 0 CDAERP [NH3+][C@@]1(C(=O)Nc2ccccc2C[NH+]2CCCC2)CCOC1 ZINC000085873706 179193975 /nfs/dbraw/zinc/19/39/75/179193975.db2.gz GREKXPNQZLJYIR-INIZCTEOSA-N 2 0 289.379 1.339 10 0 CDAERP C[C@@H](CC[NH+](C)C)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000086144754 179237871 /nfs/dbraw/zinc/23/78/71/179237871.db2.gz GJXIXLVAMKXZQK-HOCLYGCPSA-N 2 0 261.413 1.973 10 0 CDAERP CC(C)[C@@H]1CN(C[C@@H]2CCCC[N@@H+]2C)[C@@H](C)C[NH2+]1 ZINC000086173756 179244050 /nfs/dbraw/zinc/24/40/50/179244050.db2.gz UKXFRORVGYYGFS-KKUMJFAQSA-N 2 0 253.434 1.789 10 0 CDAERP CC(C)[C@H]1CN(C[C@@H]2CC[N@@H+](C(C)C)C2)CC[NH2+]1 ZINC000086146511 179239234 /nfs/dbraw/zinc/23/92/34/179239234.db2.gz SQWVGELAUCBPBH-LSDHHAIUSA-N 2 0 253.434 1.647 10 0 CDAERP CC[C@@H]1C[NH2+][C@](C)(C2CC2)CN1C1CC[NH+](C)CC1 ZINC000086217793 179250141 /nfs/dbraw/zinc/25/01/41/179250141.db2.gz ASDOYISEQPQVFG-ZBFHGGJFSA-N 2 0 265.445 1.933 10 0 CDAERP CC[N@@H+]1CC[C@H](CN2C[C@H](C3CC3)[NH2+]C[C@@H]2C)C1 ZINC000086223056 179250728 /nfs/dbraw/zinc/25/07/28/179250728.db2.gz LVPSCGNUBHUFDY-KCQAQPDRSA-N 2 0 251.418 1.401 10 0 CDAERP COCC1(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CCOCC1 ZINC000623530002 347617990 /nfs/dbraw/zinc/61/79/90/347617990.db2.gz IPSINIVGOIBSJG-AWEZNQCLSA-N 2 0 284.444 1.892 10 0 CDAERP Cc1cnc(CC[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cn1 ZINC000623544613 347624829 /nfs/dbraw/zinc/62/48/29/347624829.db2.gz BIPWBJKRUDIQGF-CYBMUJFWSA-N 2 0 262.401 1.790 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC(=O)N(C3CC3)C2)CC1(C)C ZINC000623560105 347631723 /nfs/dbraw/zinc/63/17/23/347631723.db2.gz VSAYFHJIXFIDKN-OLZOCXBDSA-N 2 0 279.428 1.460 10 0 CDAERP C[C@@H]1C[C@@H](C[N@@H+]2CCCC[C@H]2CN2CCOCC2)CC[NH2+]1 ZINC000414690413 365919268 /nfs/dbraw/zinc/91/92/68/365919268.db2.gz HWVOXOMRUQUIOI-IKGGRYGDSA-N 2 0 295.471 1.561 10 0 CDAERP CCO[C@H](C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1)C1CC1 ZINC000629536246 362950846 /nfs/dbraw/zinc/95/08/46/362950846.db2.gz GOAGXOACUGNULC-HUUCEWRRSA-N 2 0 293.415 1.189 10 0 CDAERP C[C@@H]1CC[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C[NH2+]1 ZINC000629540202 362958918 /nfs/dbraw/zinc/95/89/18/362958918.db2.gz OBABIDNSOCBIKJ-GZBLMMOJSA-N 2 0 251.418 1.637 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@H]1CSCCc2ccccc21 ZINC000629540552 362963496 /nfs/dbraw/zinc/96/34/96/362963496.db2.gz VURDLDZGBUPKCL-HNNXBMFYSA-N 2 0 280.437 1.972 10 0 CDAERP C[C@H]([NH2+]CCOCCC[NH3+])c1ccc2c(c1)COC2 ZINC000629542152 362966333 /nfs/dbraw/zinc/96/63/33/362966333.db2.gz WBIKSINELQMFIB-LBPRGKRZSA-N 2 0 264.369 1.733 10 0 CDAERP C[C@@H]([NH3+])C[C@H](C)[NH2+]CC(C)(C)C(=O)N1CCCC1 ZINC000629545092 362970320 /nfs/dbraw/zinc/97/03/20/362970320.db2.gz BFCDZJKSVDEWKF-NEPJUHHUSA-N 2 0 255.406 1.350 10 0 CDAERP [NH3+]CCC1CC[NH+](CCOC2CCOCC2)CC1 ZINC000629549073 362976387 /nfs/dbraw/zinc/97/63/87/362976387.db2.gz PYPGVWMMLXQSRG-UHFFFAOYSA-N 2 0 256.390 1.243 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622003896 350927844 /nfs/dbraw/zinc/92/78/44/350927844.db2.gz HEGTVCLQONTYBP-WBVHZDCISA-N 2 0 297.406 1.889 10 0 CDAERP CC(C)[N@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000062115348 412556826 /nfs/dbraw/zinc/55/68/26/412556826.db2.gz NXPVRACRSAKCQI-CQSZACIVSA-N 2 0 267.417 1.175 10 0 CDAERP CCCn1cc(CNC[C@H]2CCC[N@H+](C)C2)cn1 ZINC000116917116 351128912 /nfs/dbraw/zinc/12/89/12/351128912.db2.gz USQNRDQCUKKOBG-CYBMUJFWSA-N 2 0 250.390 1.725 10 0 CDAERP CN(CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)CC(F)F ZINC000623832147 351292790 /nfs/dbraw/zinc/29/27/90/351292790.db2.gz MXSIOGOLDWRUCZ-NSHDSACASA-N 2 0 263.376 1.646 10 0 CDAERP O[C@@H]1CCN(CC[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)C1 ZINC000623758626 351270922 /nfs/dbraw/zinc/27/09/22/351270922.db2.gz JBOYXJPNPLUMHW-ZJIFWQFVSA-N 2 0 282.428 1.238 10 0 CDAERP C[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)C1CC[NH+](C)CC1 ZINC000624222395 351490693 /nfs/dbraw/zinc/49/06/93/351490693.db2.gz WYTDWKZVUGBWJW-GLQYFDAESA-N 2 0 252.402 1.874 10 0 CDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cccc(O)c2)CC1 ZINC000121140223 186952961 /nfs/dbraw/zinc/95/29/61/186952961.db2.gz TVUZVGDLJORSMC-AWEZNQCLSA-N 2 0 292.423 1.917 10 0 CDAERP CCC([NH3+])(CC)CNC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418443988 535190313 /nfs/dbraw/zinc/19/03/13/535190313.db2.gz GFYOSPFXUVUFDV-CYBMUJFWSA-N 2 0 278.400 1.503 10 0 CDAERP CC[C@H](C(=O)NCc1ccccc1C[NH2+]C)[NH+](C)C ZINC000629616033 363204651 /nfs/dbraw/zinc/20/46/51/363204651.db2.gz VMCNMMIBYWHJSM-CQSZACIVSA-N 2 0 263.385 1.362 10 0 CDAERP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H]1CCCCC[C@H]1C(=O)OC ZINC000569938102 363226634 /nfs/dbraw/zinc/22/66/34/363226634.db2.gz SDYJUPJSZXWTLH-MJBXVCDLSA-N 2 0 286.416 1.011 10 0 CDAERP CC(C)C[NH+]1CCC2(CC1)[C@@H]([NH3+])CCN2C(C)C ZINC000711932901 538140419 /nfs/dbraw/zinc/14/04/19/538140419.db2.gz KSJPBQWVQAGMEU-AWEZNQCLSA-N 2 0 253.434 1.918 10 0 CDAERP COC1(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)CCCC1 ZINC000629648811 363247340 /nfs/dbraw/zinc/24/73/40/363247340.db2.gz WSEDIOVQTQZZMO-UHFFFAOYSA-N 2 0 295.471 1.752 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1cc2c(c(OC)c1)OCO2 ZINC000629653079 363252543 /nfs/dbraw/zinc/25/25/43/363252543.db2.gz MNASNZMUBFFFRK-UHFFFAOYSA-N 2 0 296.367 1.092 10 0 CDAERP Cc1ncc(C[N@H+](C)CCCN2CC[NH+](C)CC2)o1 ZINC000628278791 363365740 /nfs/dbraw/zinc/36/57/40/363365740.db2.gz HWFSWOMHDOAZOT-UHFFFAOYSA-N 2 0 266.389 1.052 10 0 CDAERP C[N@@H+]1CC[C@H](NCC[NH+]2CCCCC2)[C@H]2CCC[C@H]21 ZINC000367539067 283136151 /nfs/dbraw/zinc/13/61/51/283136151.db2.gz WCUUPMBBVQMGHC-OWCLPIDISA-N 2 0 265.445 1.935 10 0 CDAERP CC(C)C[C@@H](C[NH3+])CNc1ccnn1C1C[NH2+]C1 ZINC000725258766 538453157 /nfs/dbraw/zinc/45/31/57/538453157.db2.gz ZIRLWPFFHBPEQE-NSHDSACASA-N 2 0 251.378 1.060 10 0 CDAERP CCCC[NH+]1CCC([NH2+]C[C@H](O)C[C@@](C)(O)C2CC2)CC1 ZINC000634703866 357376765 /nfs/dbraw/zinc/37/67/65/357376765.db2.gz CEKGYMPNQKWHJC-IAGOWNOFSA-N 2 0 298.471 1.753 10 0 CDAERP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000582067751 357484171 /nfs/dbraw/zinc/48/41/71/357484171.db2.gz HHYWUPCMSCTIPS-JKSUJKDBSA-N 2 0 262.397 1.620 10 0 CDAERP COCCC[NH+]1CCC([NH2+]C[C@@H](C)COC)CC1 ZINC000187792572 357807944 /nfs/dbraw/zinc/80/79/44/357807944.db2.gz HYWWVGOSZZWESP-CYBMUJFWSA-N 2 0 258.406 1.359 10 0 CDAERP CC[C@]1(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)CCC[NH2+]1 ZINC000364161162 357929357 /nfs/dbraw/zinc/92/93/57/357929357.db2.gz RDJZWHDWICXWEV-SQWLQELKSA-N 2 0 279.428 1.509 10 0 CDAERP CC[N@H+](CCF)CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001660601305 1172240049 /nfs/dbraw/zinc/24/00/49/1172240049.db2.gz LQRVDVYARIKRFF-CABCVRRESA-N 2 0 299.434 1.801 10 0 CDAERP [NH3+]CC12CCC(CC1)CN2C(=O)CCC1CC[NH2+]CC1 ZINC000569587386 358649214 /nfs/dbraw/zinc/64/92/14/358649214.db2.gz LOVWGEVCNWKDAC-UHFFFAOYSA-N 2 0 279.428 1.496 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000070552314 358969413 /nfs/dbraw/zinc/96/94/13/358969413.db2.gz LOWBEWYLDMKGLF-UHFFFAOYSA-N 2 0 287.407 1.356 10 0 CDAERP C[C@@]1(CN2CC[NH+](CCc3ccccc3)CC2)CC[NH2+]C1 ZINC000261869427 359072810 /nfs/dbraw/zinc/07/28/10/359072810.db2.gz ONVXZJDIMAYNKD-GOSISDBHSA-N 2 0 287.451 1.846 10 0 CDAERP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)[N@H+](C)C1CC1 ZINC000346987868 359124716 /nfs/dbraw/zinc/12/47/16/359124716.db2.gz MJSJJKWVFUBWOP-GFCCVEGCSA-N 2 0 267.417 1.317 10 0 CDAERP C[NH2+]C1CCN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)CC1 ZINC000335253224 359136583 /nfs/dbraw/zinc/13/65/83/359136583.db2.gz RUHYXRLAOBQUTO-UHFFFAOYSA-N 2 0 287.407 1.199 10 0 CDAERP CC[NH2+]CCCNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000580429527 359614469 /nfs/dbraw/zinc/61/44/69/359614469.db2.gz NKVQHELEZVESRY-CHWSQXEVSA-N 2 0 255.406 1.400 10 0 CDAERP C[N@H+](CCN[C@@H]1CCC[C@H]1C[NH3+])C1CCCCC1 ZINC000422700426 359650477 /nfs/dbraw/zinc/65/04/77/359650477.db2.gz GZIHKPKVAUAQGV-DZGCQCFKSA-N 2 0 253.434 1.968 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1C[C@H]1Cc1ccccc1 ZINC000422920137 359676069 /nfs/dbraw/zinc/67/60/69/359676069.db2.gz LONSGSGWSNHTDW-PMPSAXMXSA-N 2 0 262.397 1.961 10 0 CDAERP O=C(NCC[NH2+]C1CC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000637339550 359759437 /nfs/dbraw/zinc/75/94/37/359759437.db2.gz JLQLAKXDOCEQEP-UHFFFAOYSA-N 2 0 294.443 1.256 10 0 CDAERP C[C@@H]([NH2+][C@@H](C)[C@H](C)[NH3+])[C@H](c1ccccc1)N1CCOCC1 ZINC000423452130 359796247 /nfs/dbraw/zinc/79/62/47/359796247.db2.gz VZRUYQKXHKXNNW-LJIGWXMPSA-N 2 0 291.439 1.774 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C[C@@H](O)C[NH+](C)C2CC2)[C@H](C)C1 ZINC000336841755 359907751 /nfs/dbraw/zinc/90/77/51/359907751.db2.gz SHKPSJSKHOXNEV-KBMXLJTQSA-N 2 0 283.460 1.104 10 0 CDAERP COC[C@H](O)C[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348328013 360013624 /nfs/dbraw/zinc/01/36/24/360013624.db2.gz UWHYDKAHGMKDJA-YESZJQIVSA-N 2 0 290.407 1.058 10 0 CDAERP C[NH+](C)Cc1ccsc1C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000335509446 360288704 /nfs/dbraw/zinc/28/87/04/360288704.db2.gz DFVKABLCOLFULH-UHFFFAOYSA-N 2 0 293.436 1.778 10 0 CDAERP [NH3+]C1(C(=O)NC2CC([NH+]3CCCCC3)C2)CCC1 ZINC000335481728 360340418 /nfs/dbraw/zinc/34/04/18/360340418.db2.gz YRAUZSJIKOXPJS-UHFFFAOYSA-N 2 0 251.374 1.001 10 0 CDAERP C[NH2+]C[C@@H]1CCCN(C(=O)NC[C@H]([NH3+])c2ccccc2)C1 ZINC000418406427 283545125 /nfs/dbraw/zinc/54/51/25/283545125.db2.gz CFICLCCLWPMBOC-ZFWWWQNUSA-N 2 0 290.411 1.327 10 0 CDAERP CC1(C)CCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000112702030 360572302 /nfs/dbraw/zinc/57/23/02/360572302.db2.gz YJCBOVDACHOKLV-UHFFFAOYSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000626925735 360643230 /nfs/dbraw/zinc/64/32/30/360643230.db2.gz QUBMTZPWOVSICX-UONOGXRCSA-N 2 0 282.432 1.158 10 0 CDAERP C[C@H](CNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000626934583 360654440 /nfs/dbraw/zinc/65/44/40/360654440.db2.gz JAMZFGNAADDZLL-KBUPBQIOSA-N 2 0 296.459 1.547 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C[NH2+]1 ZINC000626918323 360631082 /nfs/dbraw/zinc/63/10/82/360631082.db2.gz YWUXUKSOPHXYQR-NEPJUHHUSA-N 2 0 296.459 1.735 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CCn1ccnc1 ZINC000179191723 189176302 /nfs/dbraw/zinc/17/63/02/189176302.db2.gz ZTHVMYSJSDPJRU-IHRRRGAJSA-N 2 0 277.368 1.689 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCC[NH+](C)C ZINC000673840514 482852239 /nfs/dbraw/zinc/85/22/39/482852239.db2.gz JFSHPBUOJSDTHO-AWEZNQCLSA-N 2 0 269.433 1.661 10 0 CDAERP CC[NH+](CC)CCNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000431518513 360997414 /nfs/dbraw/zinc/99/74/14/360997414.db2.gz KVSXKRJFLXITQT-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP C[NH+](C)C1CCN(C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC000338906602 361123731 /nfs/dbraw/zinc/12/37/31/361123731.db2.gz WTFWWPGNYJEYFK-INIZCTEOSA-N 2 0 280.387 1.755 10 0 CDAERP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2conc2C)CC1 ZINC000339182554 361336068 /nfs/dbraw/zinc/33/60/68/361336068.db2.gz JPIWLESWTBFHKF-LBPRGKRZSA-N 2 0 266.389 1.099 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000644077100 363778992 /nfs/dbraw/zinc/77/89/92/363778992.db2.gz FMOYLCPOVDRCHK-MFKMUULPSA-N 2 0 297.349 1.567 10 0 CDAERP C[C@@H](C[NH3+])NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000417937726 361424504 /nfs/dbraw/zinc/42/45/04/361424504.db2.gz IRTWAGGMBFJONX-UBHSHLNASA-N 2 0 276.384 1.078 10 0 CDAERP Cc1ncc(CN2CCO[C@H](CCC[NH+](C)C)C2)o1 ZINC000628352830 363852541 /nfs/dbraw/zinc/85/25/41/363852541.db2.gz WAVBHJWGNAQAHB-CYBMUJFWSA-N 2 0 267.373 1.526 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000644145058 364001690 /nfs/dbraw/zinc/00/16/90/364001690.db2.gz XDEGIQDFPYAUKC-RYUDHWBXSA-N 2 0 265.401 1.023 10 0 CDAERP CCCC[C@@H]([NH3+])C(=O)N1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000170593123 364137277 /nfs/dbraw/zinc/13/72/77/364137277.db2.gz AQWQWFFHNJJHCD-DZGCQCFKSA-N 2 0 281.444 1.979 10 0 CDAERP C[C@H]1C[NH+](CCCC[NH2+]Cc2nccn2C)C[C@H](C)O1 ZINC000340437527 370758650 /nfs/dbraw/zinc/75/86/50/370758650.db2.gz ZSWRZNUICGWARS-KBPBESRZSA-N 2 0 280.416 1.399 10 0 CDAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nccn1CC ZINC000175040883 364316556 /nfs/dbraw/zinc/31/65/56/364316556.db2.gz YPDMIZLZXCIYKC-UONOGXRCSA-N 2 0 262.401 1.962 10 0 CDAERP O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CCC2(CC[NH2+]2)CC1 ZINC000422545956 296069193 /nfs/dbraw/zinc/06/91/93/296069193.db2.gz YGXLWZTUZPYUEU-MJBXVCDLSA-N 2 0 277.412 1.262 10 0 CDAERP CC(C)n1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)n1 ZINC000414822210 366956747 /nfs/dbraw/zinc/95/67/47/366956747.db2.gz CJYQSLFFZYPQPX-ZIAGYGMSSA-N 2 0 264.417 1.984 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](C)CC[NH3+] ZINC000414897000 241446339 /nfs/dbraw/zinc/44/63/39/241446339.db2.gz QPPCTKYCJJUQDF-LLVKDONJSA-N 3 0 259.357 1.403 10 0 CDAERP Cc1cc(C)n2c(C[NH2+][C@@H](C)CCC[NH3+])cnc2n1 ZINC000415027964 241522788 /nfs/dbraw/zinc/52/27/88/241522788.db2.gz XNRGDAYMHUAIKT-JTQLQIEISA-N 2 0 261.373 1.563 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000626997385 367217905 /nfs/dbraw/zinc/21/79/05/367217905.db2.gz RBLNWYWCJKISGD-FRRDWIJNSA-N 2 0 284.448 1.402 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)C[NH2+]1 ZINC000627091930 367425491 /nfs/dbraw/zinc/42/54/91/367425491.db2.gz FEBPSMLQRJKCAC-AAVRWANBSA-N 2 0 282.432 1.191 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000226736562 367375661 /nfs/dbraw/zinc/37/56/61/367375661.db2.gz OLVPVPOWTBUBEM-MGPQQGTHSA-N 2 0 269.433 1.596 10 0 CDAERP O=C(NCCC[C@H]1CCC[NH2+]1)N[C@H]1CC[NH2+]C12CCC2 ZINC000627100726 367439584 /nfs/dbraw/zinc/43/95/84/367439584.db2.gz PEOKFICHOJOJTC-OLZOCXBDSA-N 2 0 280.416 1.102 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000627111583 367462409 /nfs/dbraw/zinc/46/24/09/367462409.db2.gz CJQAMKYKAIJXNK-GBJTYRQASA-N 2 0 294.443 1.443 10 0 CDAERP CC1=CC[NH+](CCNC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000358199341 367508101 /nfs/dbraw/zinc/50/81/01/367508101.db2.gz YWDUTWCKOXHTSP-GJZGRUSLSA-N 2 0 294.443 1.420 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+](C(C)(C)C)C2)CC[N@@H+]1C ZINC000630081416 367511481 /nfs/dbraw/zinc/51/14/81/367511481.db2.gz FCTAIMSSMLDAAF-QLFBSQMISA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)[NH+](CCNC(=O)N[C@H]1CC[NH2+]C[C@@H]1C)C(C)C ZINC000416799938 242145480 /nfs/dbraw/zinc/14/54/80/242145480.db2.gz FBMLTHHBDCQHDP-KBPBESRZSA-N 2 0 284.448 1.402 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000233513287 367592353 /nfs/dbraw/zinc/59/23/53/367592353.db2.gz MNTJULFXUQYHFC-OLZOCXBDSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000416873416 242203008 /nfs/dbraw/zinc/20/30/08/242203008.db2.gz NQNFKMOZKINGER-KBPBESRZSA-N 2 0 292.427 1.543 10 0 CDAERP O=C(NCCC[NH+]1CCCCC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000416896157 242216000 /nfs/dbraw/zinc/21/60/00/242216000.db2.gz VOYXJSPRVBQJGJ-HUUCEWRRSA-N 2 0 294.443 1.256 10 0 CDAERP [NH3+]CCCNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000417044456 242287528 /nfs/dbraw/zinc/28/75/28/242287528.db2.gz YBFXPBSPIABEKB-OAHLLOKOSA-N 2 0 290.411 1.472 10 0 CDAERP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627206065 367702228 /nfs/dbraw/zinc/70/22/28/367702228.db2.gz WKJYBJIDCQVZQN-IPYPFGDCSA-N 2 0 296.459 1.499 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)N(CC[NH3+])Cc2ccccc2)C[NH2+]1 ZINC000627207680 367705381 /nfs/dbraw/zinc/70/53/81/367705381.db2.gz RYFFXCXDZCZONZ-UKRRQHHQSA-N 2 0 290.411 1.297 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)[C@@H](C)C1 ZINC000627200983 367693790 /nfs/dbraw/zinc/69/37/90/367693790.db2.gz DQYIULLXSKRNMA-YJNKXOJESA-N 2 0 296.459 1.499 10 0 CDAERP CCN(CCC[NH+]1CCCC1)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627203708 367697436 /nfs/dbraw/zinc/69/74/36/367697436.db2.gz PLMAIAGRRBUIRB-CABCVRRESA-N 2 0 296.459 1.644 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627203007 367698352 /nfs/dbraw/zinc/69/83/52/367698352.db2.gz LHTZFRFRWRJFFS-QWHCGFSZSA-N 2 0 270.421 1.110 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)C[NH2+]1 ZINC000627207931 367709543 /nfs/dbraw/zinc/70/95/43/367709543.db2.gz UPBSTCBGJCJNDJ-IIAWOOMASA-N 2 0 294.443 1.254 10 0 CDAERP C[NH2+]CCC1CCN(C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627210581 367711228 /nfs/dbraw/zinc/71/12/28/367711228.db2.gz RSTADLIOYVJYLU-JSGCOSHPSA-N 2 0 282.432 1.158 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](C)C(=O)N(C)C ZINC000359806971 367978995 /nfs/dbraw/zinc/97/89/95/367978995.db2.gz QELUMNYTQWAEGD-LBPRGKRZSA-N 2 0 287.367 1.142 10 0 CDAERP [NH3+][C@@H]1CC=C(C(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000638067085 367981903 /nfs/dbraw/zinc/98/19/03/367981903.db2.gz POUJBGOIHSLHCL-OAHLLOKOSA-N 2 0 277.412 1.368 10 0 CDAERP CC(C)(C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)c1c[nH]cn1 ZINC000530026868 368120630 /nfs/dbraw/zinc/12/06/30/368120630.db2.gz JRZBEIBCPXTXQL-CYBMUJFWSA-N 2 0 290.411 1.820 10 0 CDAERP CCC[C@H]1C[NH2+]CCN1C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418442406 243082465 /nfs/dbraw/zinc/08/24/65/243082465.db2.gz DTDLBBXTOFIXMH-LSDHHAIUSA-N 2 0 290.411 1.470 10 0 CDAERP O=C(NCC[C@H]1CCC[NH2+]1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000418556220 243210640 /nfs/dbraw/zinc/21/06/40/243210640.db2.gz XPWFPWPHEMHTJI-HUUCEWRRSA-N 2 0 294.443 1.256 10 0 CDAERP O=C(NCC[C@H]1CCC[NH2+]1)N1CC[NH+](C2CCC2)CC1 ZINC000418574497 243229237 /nfs/dbraw/zinc/22/92/37/243229237.db2.gz MDVKORAHKXVBOP-CYBMUJFWSA-N 2 0 280.416 1.008 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC[N@@H+]1C ZINC000418579178 243233934 /nfs/dbraw/zinc/23/39/34/243233934.db2.gz JRNXFGBRRWQJGI-YIYPIFLZSA-N 2 0 282.432 1.380 10 0 CDAERP CCN(CCC[NH+](CC)CC)C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000418712539 243365233 /nfs/dbraw/zinc/36/52/33/243365233.db2.gz XIJGPEKQSJSOPN-CHWSQXEVSA-N 2 0 272.437 1.486 10 0 CDAERP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC/C=C/C[NH3+] ZINC000669409517 482956076 /nfs/dbraw/zinc/95/60/76/482956076.db2.gz JIICMXRQTBUUCZ-SNSPGFKJSA-N 2 0 282.432 1.167 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC(C)(C)[NH+](C)C)CC[N@@H+]1C ZINC000630477289 369021121 /nfs/dbraw/zinc/02/11/21/369021121.db2.gz YFQYWSMCGJQMDX-NWDGAFQWSA-N 2 0 255.406 1.173 10 0 CDAERP CCn1nc2c(cc1=O)CN(CC[C@H]1CCC[N@@H+]1C)CC2 ZINC000361764919 369030586 /nfs/dbraw/zinc/03/05/86/369030586.db2.gz BRUIYOFDESKSGK-CQSZACIVSA-N 2 0 290.411 1.106 10 0 CDAERP COC(=O)[C@H](C)[C@H]([NH2+]CCC[NH3+])c1ccccc1 ZINC000420363607 244146322 /nfs/dbraw/zinc/14/63/22/244146322.db2.gz BPWYXWHPFKXWEY-YPMHNXCESA-N 2 0 250.342 1.475 10 0 CDAERP CC(C)[NH+](CCNC(=O)C1CCC([NH3+])CC1)C(C)C ZINC000037622765 369388091 /nfs/dbraw/zinc/38/80/91/369388091.db2.gz JIGWBUQDJLUMIV-UHFFFAOYSA-N 2 0 269.433 1.739 10 0 CDAERP CC[N@@H+]1CC[C@H](CN[C@@H]2CC[NH+](CC)C[C@@H]2C)C1 ZINC000163240252 370971300 /nfs/dbraw/zinc/97/13/00/370971300.db2.gz DETICPLJUPCYGK-RRFJBIMHSA-N 3 0 253.434 1.648 10 0 CDAERP CO[C@@](C)(CO)C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000655785154 412779292 /nfs/dbraw/zinc/77/92/92/412779292.db2.gz HPAWYKYQMILUDE-CQSZACIVSA-N 2 0 258.406 1.236 10 0 CDAERP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccc(S(N)(=O)=O)cc1 ZINC000312917774 296145862 /nfs/dbraw/zinc/14/58/62/296145862.db2.gz LXSNKLJCEZTRNO-NWDGAFQWSA-N 2 0 299.440 1.502 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000577623778 317369491 /nfs/dbraw/zinc/36/94/91/317369491.db2.gz ACCAYQDKILLEKT-AWEZNQCLSA-N 2 0 269.433 1.374 10 0 CDAERP CC(C)([NH3+])CC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371232532 370218761 /nfs/dbraw/zinc/21/87/61/370218761.db2.gz SSWRBEUJCQVVIF-NEPJUHHUSA-N 2 0 253.390 1.104 10 0 CDAERP CCCCOC[C@@H](O)C[N@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000300296119 370250978 /nfs/dbraw/zinc/25/09/78/370250978.db2.gz VWRNXJSLJHSCGI-KBPBESRZSA-N 2 0 258.406 1.048 10 0 CDAERP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000565001084 370322401 /nfs/dbraw/zinc/32/24/01/370322401.db2.gz LDQLYXYRBIHNEF-UXLLHSPISA-N 2 0 285.391 1.071 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)COC2CCC([NH3+])CC2)CC[N@@H+]1C ZINC000564929669 370302241 /nfs/dbraw/zinc/30/22/41/370302241.db2.gz QDAIPFOVRHNRPQ-JLVJUDLZSA-N 2 0 297.443 1.214 10 0 CDAERP C[C@@H]1CN(C(=O)[C@@H]2[NH2+]CCc3ccccc32)C[C@@]1(C)C[NH3+] ZINC000565705369 370511377 /nfs/dbraw/zinc/51/13/77/370511377.db2.gz NZKRGUNXDFSRDO-SRCQZFHVSA-N 2 0 287.407 1.317 10 0 CDAERP COCC[NH2+]C1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000565720525 370516464 /nfs/dbraw/zinc/51/64/64/370516464.db2.gz HWGZCPPNDGNVQQ-AWEZNQCLSA-N 3 0 269.433 1.077 10 0 CDAERP CC(C)(CC[NH3+])NC(=O)NCC1([NH3+])CCCCCC1 ZINC000422606093 245130145 /nfs/dbraw/zinc/13/01/45/245130145.db2.gz HWMYZLRYXWAHFF-UHFFFAOYSA-N 2 0 270.421 1.465 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1CC(=O)N(c2ccccc2)C1 ZINC000422721457 245177001 /nfs/dbraw/zinc/17/70/01/245177001.db2.gz VMGMRYURMJDQAF-KBPBESRZSA-N 2 0 291.395 1.135 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H](C)COc1cccc(F)c1 ZINC000422737917 245197967 /nfs/dbraw/zinc/19/79/67/245197967.db2.gz HXEVBZRDEMETJN-OCCSQVGLSA-N 2 0 284.375 1.937 10 0 CDAERP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](C3CCCC3)CC2)C1 ZINC000122719090 371022869 /nfs/dbraw/zinc/02/28/69/371022869.db2.gz HQXAEDJYFGYCCQ-QGZVFWFLSA-N 2 0 295.471 1.656 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCCN(c2ccccc2)C1=O ZINC000422743894 245204860 /nfs/dbraw/zinc/20/48/60/245204860.db2.gz SBWXUBXYOFTFPF-YDHLFZDLSA-N 2 0 275.396 1.897 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000422760396 245222401 /nfs/dbraw/zinc/22/24/01/245222401.db2.gz MASIVRYHJRMZFO-SDDRHHMPSA-N 2 0 250.342 1.542 10 0 CDAERP CCOC(=O)c1cc(C[NH2+]CCCC[NH+](C)C)[nH]c1C ZINC000295199653 371144067 /nfs/dbraw/zinc/14/40/67/371144067.db2.gz OZNMVEXHWTVPBG-UHFFFAOYSA-N 2 0 281.400 1.931 10 0 CDAERP C[C@@H](NCC[N@@H+]1CCCC[C@@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000422855817 245339965 /nfs/dbraw/zinc/33/99/65/245339965.db2.gz FFZXINMSMVSLJU-ZNMIVQPWSA-N 2 0 253.434 1.981 10 0 CDAERP CC[NH+]1CCC(CC[NH2+]C[C@@H](O)COC(C)C)CC1 ZINC000567891594 371185493 /nfs/dbraw/zinc/18/54/93/371185493.db2.gz LHDDUJJADWWOGY-OAHLLOKOSA-N 2 0 272.433 1.484 10 0 CDAERP C[C@H](Cn1cccn1)[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000123143827 371289402 /nfs/dbraw/zinc/28/94/02/371289402.db2.gz DORWSXMSLPDLBL-WLYUNCDWSA-N 2 0 264.417 1.982 10 0 CDAERP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000335536790 371814325 /nfs/dbraw/zinc/81/43/25/371814325.db2.gz SAFLKYUJPFAKGA-SMDDNHRTSA-N 2 0 265.401 1.118 10 0 CDAERP CC[NH+]1CCN([C@@H]2CC[N@H+](C[Si](C)(C)C)C2)CC1 ZINC000172192714 372250759 /nfs/dbraw/zinc/25/07/59/372250759.db2.gz LNLGGVZQMDGZKE-CQSZACIVSA-N 2 0 269.509 1.576 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]C(C)C)C1)[NH+](CC)CC ZINC001661650604 1172421868 /nfs/dbraw/zinc/42/18/68/1172421868.db2.gz UNINTHVJJRMTEX-HZSPNIEDSA-N 2 0 269.433 1.752 10 0 CDAERP COCC[NH2+]C1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000578513619 372488655 /nfs/dbraw/zinc/48/86/55/372488655.db2.gz YHSRQYVQFFQAGP-ZDUSSCGKSA-N 2 0 256.390 1.113 10 0 CDAERP CCCCOC[C@H](O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352924974 372561932 /nfs/dbraw/zinc/56/19/32/372561932.db2.gz NOTIFBKDJDAQFF-VFSICIBPSA-N 2 0 284.444 1.721 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H](C[NH3+])C1 ZINC000333299909 205197321 /nfs/dbraw/zinc/19/73/21/205197321.db2.gz ITEAJCUXDBFZPI-ZIAGYGMSSA-N 2 0 282.432 1.097 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000333349306 205240960 /nfs/dbraw/zinc/24/09/60/205240960.db2.gz JISBGFGXWCFNHT-RBSFLKMASA-N 2 0 296.459 1.486 10 0 CDAERP CC[N@H+](C)C[C@H](O)C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000380979654 372930036 /nfs/dbraw/zinc/93/00/36/372930036.db2.gz ACUKXONQFDDBLI-BAPHQMLMSA-N 2 0 266.429 1.713 10 0 CDAERP CC(C)C[C@@H]([NH3+])CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000382617409 373062907 /nfs/dbraw/zinc/06/29/07/373062907.db2.gz WCFLQVQFQOAGFC-CABCVRRESA-N 2 0 253.434 1.920 10 0 CDAERP O=C(NC1CC[NH+](C2CCC2)CC1)N[C@@H]1CCCC[NH2+]C1 ZINC000333570273 205454530 /nfs/dbraw/zinc/45/45/30/205454530.db2.gz MITUYZBGAUVBFW-CQSZACIVSA-N 2 0 294.443 1.445 10 0 CDAERP C[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)CC2CCCC2)C1 ZINC000190554795 373375219 /nfs/dbraw/zinc/37/52/19/373375219.db2.gz VVBGCUDUYAZMEV-LSDHHAIUSA-N 2 0 254.418 1.811 10 0 CDAERP COc1ccc([C@@H](N[C@@H](C)C[NH3+])[C@@H]2CCC[NH2+]2)cc1 ZINC000423407155 245795600 /nfs/dbraw/zinc/79/56/00/245795600.db2.gz VLVSIPDOPRDKGO-TUKIKUTGSA-N 2 0 263.385 1.425 10 0 CDAERP Cn1c2cc(CN[C@@H]3CCCC[C@H]3[NH3+])ccc2oc1=O ZINC000631829211 373720632 /nfs/dbraw/zinc/72/06/32/373720632.db2.gz KGWXIBPFYUWTTN-VXGBXAGGSA-N 2 0 275.352 1.491 10 0 CDAERP c1nn(-c2cc[nH+]cc2)cc1N[C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000643469220 374009505 /nfs/dbraw/zinc/00/95/05/374009505.db2.gz BCFJWGNWBVAYFT-CVEARBPZSA-N 2 0 299.378 1.446 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000220882825 373968845 /nfs/dbraw/zinc/96/88/45/373968845.db2.gz NHGWRFNXPBOJIH-AVGNSLFASA-N 2 0 253.390 1.057 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001661832853 1172451864 /nfs/dbraw/zinc/45/18/64/1172451864.db2.gz QDZICCXYRSCWSP-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000660145171 412818069 /nfs/dbraw/zinc/81/80/69/412818069.db2.gz MOZLAPMWYOGBAG-IXDOHACOSA-N 2 0 279.472 1.992 10 0 CDAERP [NH3+]Cc1ccc(CNC(=O)NCCC2(C[NH3+])CC2)c(F)c1 ZINC000652231880 541924119 /nfs/dbraw/zinc/92/41/19/541924119.db2.gz JDKXQXDNHVWFCC-UHFFFAOYSA-N 2 0 294.374 1.213 10 0 CDAERP CC[C@@H]1C[N@H+](CC)CCN1C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000418570633 374411833 /nfs/dbraw/zinc/41/18/33/374411833.db2.gz IXILLHCQCUUSCV-MCIONIFRSA-N 2 0 282.432 1.110 10 0 CDAERP C[C@@H](CCC[NH3+])NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000418683447 374478370 /nfs/dbraw/zinc/47/83/70/374478370.db2.gz BHOKZYHMJCIOQX-LSDHHAIUSA-N 2 0 296.459 1.774 10 0 CDAERP CC1(C)C[C@@]1(C[NH3+])[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000669377237 541965110 /nfs/dbraw/zinc/96/51/10/541965110.db2.gz KSBMHCIEQVONDQ-IRXDYDNUSA-N 2 0 274.408 1.998 10 0 CDAERP C[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1CCCC1 ZINC000580404858 374659921 /nfs/dbraw/zinc/65/99/21/374659921.db2.gz ZHHSVNOBXQMYHW-AWEZNQCLSA-N 2 0 298.475 1.700 10 0 CDAERP CCC[C@H](CCO)[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000631669936 375281720 /nfs/dbraw/zinc/28/17/20/375281720.db2.gz SCPZVQCOPZIWMK-TUVASFSCSA-N 2 0 254.418 2.000 10 0 CDAERP CCCCOC[C@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000195179306 375993457 /nfs/dbraw/zinc/99/34/57/375993457.db2.gz ZOTGJXWSHMNQMA-IAGOWNOFSA-N 2 0 298.471 1.972 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000574517784 295011849 /nfs/dbraw/zinc/01/18/49/295011849.db2.gz AJIMUEJZVFYEKH-HOCLYGCPSA-N 2 0 281.444 1.757 10 0 CDAERP CCNC(=O)N1CC[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)C1 ZINC000246379090 376648259 /nfs/dbraw/zinc/64/82/59/376648259.db2.gz JYRLAZGRXVQLQO-ZOBORPQBSA-N 2 0 282.432 1.109 10 0 CDAERP CCC1([NH+](C)C)CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000631865171 376746144 /nfs/dbraw/zinc/74/61/44/376746144.db2.gz BNVMAHIDDWVVGZ-CQSZACIVSA-N 3 0 253.434 1.792 10 0 CDAERP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H](C)C(=O)N(C)C)C2)[nH+]1 ZINC000247455535 377120098 /nfs/dbraw/zinc/12/00/98/377120098.db2.gz ZUMYARSSZIWYID-KGLIPLIRSA-N 2 0 290.411 1.601 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000417445233 377153751 /nfs/dbraw/zinc/15/37/51/377153751.db2.gz GEQFXHUJZYMAOW-IHRRRGAJSA-N 2 0 282.432 1.110 10 0 CDAERP COc1cc(C[C@H](C)[NH2+][C@@H]2CCc3nc[nH]c3C2)ccn1 ZINC000639192075 377397720 /nfs/dbraw/zinc/39/77/20/377397720.db2.gz OYMJBXVTZAYEMO-WCQYABFASA-N 2 0 286.379 1.891 10 0 CDAERP C[NH+](C)Cc1cccc(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000334853553 377625683 /nfs/dbraw/zinc/62/56/83/377625683.db2.gz XOQWGEVIFMORME-HOTGVXAUSA-N 2 0 287.407 1.572 10 0 CDAERP CCC[C@H](C(=O)Nc1ccn(CC[NH+](C)C)n1)[NH+](C)C ZINC000161849768 377777195 /nfs/dbraw/zinc/77/71/95/377777195.db2.gz CBPRWQGREVATTI-GFCCVEGCSA-N 2 0 281.404 1.114 10 0 CDAERP CNC(=O)c1cccc(CC[NH2+]C[C@@]2(C)CC[NH2+]C2)c1 ZINC000572158342 377745533 /nfs/dbraw/zinc/74/55/33/377745533.db2.gz LYGKPXYMXRKGOO-MRXNPFEDSA-N 2 0 275.396 1.178 10 0 CDAERP [NH3+][C@H]1CCC[C@@H](C(=O)NCCC[NH+]2CCCC2)C1 ZINC000062073433 378191746 /nfs/dbraw/zinc/19/17/46/378191746.db2.gz USHLIFZEEZKDKK-OLZOCXBDSA-N 2 0 253.390 1.106 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000193319545 378273085 /nfs/dbraw/zinc/27/30/85/378273085.db2.gz SJNITLWPAWJLOF-OLZOCXBDSA-N 2 0 255.406 1.447 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000193308127 378289909 /nfs/dbraw/zinc/28/99/09/378289909.db2.gz JMQVJOIVBMLZJT-CYBMUJFWSA-N 2 0 267.417 1.591 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[NH2+][C@H](C(C)C)C2)CC[N@@H+]1C ZINC000633662456 378657110 /nfs/dbraw/zinc/65/71/10/378657110.db2.gz YACHZXNHKXSNAF-MELADBBJSA-N 2 0 267.417 1.173 10 0 CDAERP O=C1NCCC[C@H]1[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000334559442 378998012 /nfs/dbraw/zinc/99/80/12/378998012.db2.gz UNWQXUHRDMYOGV-CQSZACIVSA-N 2 0 265.401 1.073 10 0 CDAERP CN(C(=O)NCC1([NH+](C)C)CCC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000446618890 250303186 /nfs/dbraw/zinc/30/31/86/250303186.db2.gz YJAIHVNYYXEXHR-CQSZACIVSA-N 2 0 294.443 1.349 10 0 CDAERP C[C@@H]1CC2(CCC2)C[N@@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000334820010 296293216 /nfs/dbraw/zinc/29/32/16/296293216.db2.gz XCLPLRXPNAVTEI-KGLIPLIRSA-N 2 0 279.428 1.448 10 0 CDAERP C[C@@H](c1cccnc1)[N@H+](C)CC1CC[NH+](CCO)CC1 ZINC000069952053 379321087 /nfs/dbraw/zinc/32/10/87/379321087.db2.gz HMGRBEMKJHLEIB-AWEZNQCLSA-N 2 0 277.412 1.779 10 0 CDAERP CC(C)C[C@H]([NH3+])c1noc([C@@H](F)[C@@H]2CC[NH2+]C2)n1 ZINC000634555887 379668922 /nfs/dbraw/zinc/66/89/22/379668922.db2.gz XWOWPUAFJIDYBD-UTLUCORTSA-N 2 0 256.325 1.736 10 0 CDAERP CCc1cc(N2CC[NH+](CCC(=O)N(C)C)CC2)cc[nH+]1 ZINC000450395433 251260058 /nfs/dbraw/zinc/26/00/58/251260058.db2.gz ZMVHLKOSZUVMPU-UHFFFAOYSA-N 2 0 290.411 1.244 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C[C@H]1CC[NH2+]C1 ZINC000662402882 412965329 /nfs/dbraw/zinc/96/53/29/412965329.db2.gz FOEUTWYHYHACER-MELADBBJSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001662930264 1172616768 /nfs/dbraw/zinc/61/67/68/1172616768.db2.gz QOZYBAGOZSHUFT-AWEZNQCLSA-N 2 0 281.444 1.921 10 0 CDAERP CO[C@H](C[NH+]1CCC2(CCC[N@@H+]2C)CC1)[C@@H]1CCOC1 ZINC000660166707 412974056 /nfs/dbraw/zinc/97/40/56/412974056.db2.gz DHTXIRZBAFIWRE-HUUCEWRRSA-N 2 0 282.428 1.598 10 0 CDAERP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655970221 412983520 /nfs/dbraw/zinc/98/35/20/412983520.db2.gz FDIORLCVDJGHEJ-MQYQWHSLSA-N 2 0 282.432 1.238 10 0 CDAERP Cc1cncc(CC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)n1 ZINC000657713427 413000207 /nfs/dbraw/zinc/00/02/07/413000207.db2.gz RIFMAODQNCUORO-UHFFFAOYSA-N 2 0 294.362 1.698 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)[C@H]2[NH2+]CCC2(C)C)cc1 ZINC000662425490 413004226 /nfs/dbraw/zinc/00/42/26/413004226.db2.gz DFNWEQINMKXEGE-SMDDNHRTSA-N 2 0 275.396 1.711 10 0 CDAERP C[C@@H](CCNC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)[NH+](C)C ZINC000664032360 413035425 /nfs/dbraw/zinc/03/54/25/413035425.db2.gz MLUMTUZDZRMHOY-SOUVJXGZSA-N 2 0 298.475 1.889 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H](Cc2ccccc2)C(N)=O)C1 ZINC000656127350 413040375 /nfs/dbraw/zinc/04/03/75/413040375.db2.gz ZZTRZKIMVIMWHV-ZNMIVQPWSA-N 2 0 275.396 1.013 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC[N@@H+]1C ZINC000418579176 390162569 /nfs/dbraw/zinc/16/25/69/390162569.db2.gz JRNXFGBRRWQJGI-AAVRWANBSA-N 2 0 282.432 1.380 10 0 CDAERP C[C@H](CNC(=O)[C@H]1[NH2+]CCCC1(C)C)[N@H+](C)C1CC1 ZINC000219943158 390208887 /nfs/dbraw/zinc/20/88/87/390208887.db2.gz AXKJZUZWSNNKMK-DGCLKSJQSA-N 2 0 267.417 1.364 10 0 CDAERP C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC000646943151 390303964 /nfs/dbraw/zinc/30/39/64/390303964.db2.gz BLCAOPBKBDRIGA-NUEKZKHPSA-N 2 0 291.439 1.556 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)[C@H](C)C1 ZINC000418552630 285389438 /nfs/dbraw/zinc/38/94/38/285389438.db2.gz MQAJOFKZQGLJJD-TUVASFSCSA-N 2 0 296.459 1.356 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000237678054 390867151 /nfs/dbraw/zinc/86/71/51/390867151.db2.gz IYTRARABKHRXGT-KGLIPLIRSA-N 2 0 279.428 1.367 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000262068195 390814150 /nfs/dbraw/zinc/81/41/50/390814150.db2.gz FTQWUWBUCKJVSI-CXAGYDPISA-N 2 0 299.418 1.989 10 0 CDAERP O=C(N[C@@H]1CC[NH2+]C12CCCC2)[C@H]1CC12CC[NH2+]CC2 ZINC000648209861 390952508 /nfs/dbraw/zinc/95/25/08/390952508.db2.gz DKDUKPBPTSREFN-CHWSQXEVSA-N 2 0 277.412 1.167 10 0 CDAERP C[C@@H]1C[C@H](NCC[N@H+]2CCCC[C@H]2C)CC[NH+]1C ZINC000156601294 390923011 /nfs/dbraw/zinc/92/30/11/390923011.db2.gz VPPVOKXBOKLZOF-RBSFLKMASA-N 2 0 253.434 1.933 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)NC(C)(C)C[NH3+])CC1 ZINC000417748745 391018834 /nfs/dbraw/zinc/01/88/34/391018834.db2.gz KXSYWZKENBWIOK-UHFFFAOYSA-N 2 0 270.421 1.145 10 0 CDAERP Cc1cc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)ccn1 ZINC000527652563 391087152 /nfs/dbraw/zinc/08/71/52/391087152.db2.gz FUVNFZQGGXPPKE-UHFFFAOYSA-N 2 0 276.428 1.507 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000662473151 413048629 /nfs/dbraw/zinc/04/86/29/413048629.db2.gz YBWCUMYQKUYVRQ-ILXRZTDVSA-N 2 0 283.460 1.939 10 0 CDAERP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](C)O[C@@H](C)[C@@H]2C)CC1 ZINC000337449383 391152934 /nfs/dbraw/zinc/15/29/34/391152934.db2.gz DMSWJPKXLVJPPI-IKGGRYGDSA-N 2 0 297.487 1.900 10 0 CDAERP C(C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)[C@@H]1CC[NH2+]C1 ZINC000647903512 391200470 /nfs/dbraw/zinc/20/04/70/391200470.db2.gz KXTFIEJOTFOLHJ-ZNMIVQPWSA-N 3 0 251.418 1.450 10 0 CDAERP C[C@@H]1CN(CC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)CCO1 ZINC000647903826 391202315 /nfs/dbraw/zinc/20/23/15/391202315.db2.gz QLIKFEKKHMPMRC-PMPSAXMXSA-N 2 0 281.444 1.171 10 0 CDAERP Cc1ccc2[nH+]ccc(N3CC[NH+](CCO)CC3)c2c1 ZINC000302156544 391295802 /nfs/dbraw/zinc/29/58/02/391295802.db2.gz MYIOWTLISREKBV-UHFFFAOYSA-N 2 0 271.364 1.658 10 0 CDAERP C[N@@H+]1CCC[C@@]2(CCN(C[C@H](O)CC(F)(F)F)C2)C1 ZINC000339439359 391303323 /nfs/dbraw/zinc/30/33/23/391303323.db2.gz UJTXGPGZSBZMBP-VXGBXAGGSA-N 2 0 280.334 1.717 10 0 CDAERP CO[C@H](C)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000182066646 391374170 /nfs/dbraw/zinc/37/41/70/391374170.db2.gz BOHXGAHZOHMNJJ-CYBMUJFWSA-N 2 0 256.390 1.066 10 0 CDAERP CCN(CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)C1CC1 ZINC000224619540 391378447 /nfs/dbraw/zinc/37/84/47/391378447.db2.gz WWACONLZHDSBHY-MJBXVCDLSA-N 2 0 252.402 1.874 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@H](O)C2)[C@H]2CCC[C@H]21 ZINC000353685552 391400045 /nfs/dbraw/zinc/40/00/45/391400045.db2.gz ISWHQQRIODYXKL-QKGCVVFFSA-N 2 0 252.402 1.610 10 0 CDAERP [NH3+]CCN(Cc1ccccc1)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000648110253 391400155 /nfs/dbraw/zinc/40/01/55/391400155.db2.gz GRSNKVRQFBWPEY-GJZGRUSLSA-N 2 0 275.396 1.349 10 0 CDAERP COCCC[NH+]1CCC([NH2+][C@H]2CC[C@H]2SC)CC1 ZINC000425359581 391486820 /nfs/dbraw/zinc/48/68/20/391486820.db2.gz RXSCFPFEBQSSCW-UONOGXRCSA-N 2 0 272.458 1.971 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H]1Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000643469423 391479826 /nfs/dbraw/zinc/47/98/26/391479826.db2.gz UTBMTCYQBXATJQ-BXUZGUMPSA-N 2 0 257.341 1.807 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000417816356 391484072 /nfs/dbraw/zinc/48/40/72/391484072.db2.gz PZKIMYQDODRLAG-CHWSQXEVSA-N 2 0 270.421 1.016 10 0 CDAERP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCc1ncn(C)n1 ZINC000647800963 391664280 /nfs/dbraw/zinc/66/42/80/391664280.db2.gz NBSPCZDRPGYUJO-ZFWWWQNUSA-N 2 0 287.411 1.296 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000417612592 391700814 /nfs/dbraw/zinc/70/08/14/391700814.db2.gz RGSRLXFYJGZRCR-ZIAGYGMSSA-N 2 0 282.432 1.112 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000335410644 391704394 /nfs/dbraw/zinc/70/43/94/391704394.db2.gz RCDVGIJOXAEGCR-STQMWFEESA-N 2 0 253.390 1.070 10 0 CDAERP CC(C)[C@](C)(O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248426672 391925642 /nfs/dbraw/zinc/92/56/42/391925642.db2.gz NKESRHJRKMVVEP-SOUVJXGZSA-N 2 0 254.418 1.810 10 0 CDAERP CC(C)[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000438492618 391931450 /nfs/dbraw/zinc/93/14/50/391931450.db2.gz MXYNQVKYWWLDOX-OAHLLOKOSA-N 2 0 295.471 1.953 10 0 CDAERP Cc1noc(CCC[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)n1 ZINC000646106092 392013889 /nfs/dbraw/zinc/01/38/89/392013889.db2.gz KGSDBISJYOSSJH-UHFFFAOYSA-N 2 0 294.399 1.107 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000649354214 392090802 /nfs/dbraw/zinc/09/08/02/392090802.db2.gz QEZATFRWUOKSEE-QXSJWSMHSA-N 2 0 293.455 1.850 10 0 CDAERP CC(C)(C)[C@@H](O)C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000336807485 392092200 /nfs/dbraw/zinc/09/22/00/392092200.db2.gz KKRLOWPPBDRNAL-KBPBESRZSA-N 2 0 270.417 1.048 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000649373244 392124972 /nfs/dbraw/zinc/12/49/72/392124972.db2.gz VJCYMPBJLPIELF-GFCCVEGCSA-N 2 0 253.390 1.119 10 0 CDAERP O[C@H](C[NH2+]C[C@H]1CCC2(CCCC2)O1)C[NH+]1CCCC1 ZINC000656155282 413052440 /nfs/dbraw/zinc/05/24/40/413052440.db2.gz PEQNJZQKZAWULH-HUUCEWRRSA-N 2 0 282.428 1.525 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H](O)Cc1cccc(F)c1 ZINC000423142545 392381367 /nfs/dbraw/zinc/38/13/67/392381367.db2.gz AMBYIPGULPTNFF-LSDHHAIUSA-N 2 0 284.375 1.073 10 0 CDAERP C[NH+](C)CC[C@@H](NC(=O)CN1CC(C)(C)C1)C(C)(C)C ZINC000573932198 392469675 /nfs/dbraw/zinc/46/96/75/392469675.db2.gz FVVIXTKACKZNQK-CYBMUJFWSA-N 2 0 283.460 1.811 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)CN2CC(C)(C)C2)C1 ZINC000568201095 392402396 /nfs/dbraw/zinc/40/23/96/392402396.db2.gz HFTOSVOGOSAAAX-AWEZNQCLSA-N 2 0 281.444 1.519 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H]1CCCC12CCOCC2 ZINC000423381886 392519672 /nfs/dbraw/zinc/51/96/72/392519672.db2.gz DATIOQMEWMVJKF-MCIONIFRSA-N 2 0 252.402 1.923 10 0 CDAERP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C1CC(F)(F)C1 ZINC000529533555 392473234 /nfs/dbraw/zinc/47/32/34/392473234.db2.gz REQKIXLCHFXERR-CMPLNLGQSA-N 2 0 262.344 1.467 10 0 CDAERP COCC[C@H](Cc1cccc(F)c1)[NH2+]CCC[NH3+] ZINC000437761376 392488922 /nfs/dbraw/zinc/48/89/22/392488922.db2.gz RYXLOCDLRIBPLV-CQSZACIVSA-N 2 0 254.349 1.712 10 0 CDAERP CC[C@H](Cn1cncn1)[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000423290460 392490819 /nfs/dbraw/zinc/49/08/19/392490819.db2.gz DBNQQKKHMGGUCR-SWLSCSKDSA-N 2 0 273.384 1.866 10 0 CDAERP CCCC[C@H](C[NH3+])N[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000423295585 392492689 /nfs/dbraw/zinc/49/26/89/392492689.db2.gz FJOQLKBCIUCXNI-BARDWOONSA-N 2 0 253.434 1.966 10 0 CDAERP C[NH+](C)CCN(C(=O)c1ccc2c(c1)C[NH2+]C2)C1CC1 ZINC000646542548 392545080 /nfs/dbraw/zinc/54/50/80/392545080.db2.gz FUHPSCVBWSVXLI-UHFFFAOYSA-N 2 0 273.380 1.456 10 0 CDAERP COCC[N@H+](C)CCC[NH2+][C@H](C)Cc1ccoc1 ZINC000449074853 392629155 /nfs/dbraw/zinc/62/91/55/392629155.db2.gz CWDIDSBCMQWMQF-CYBMUJFWSA-N 2 0 254.374 1.769 10 0 CDAERP C[C@H](Cc1ccoc1)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000449094235 392639707 /nfs/dbraw/zinc/63/97/07/392639707.db2.gz REUSMHDNQMSDQP-TZMCWYRMSA-N 2 0 252.358 1.257 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCC[NH+]1C1CC1 ZINC000494259875 392962769 /nfs/dbraw/zinc/96/27/69/392962769.db2.gz PFJNYLPHZGPMLT-ZFWWWQNUSA-N 2 0 279.428 1.604 10 0 CDAERP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CC2)C1 ZINC000494798694 393106549 /nfs/dbraw/zinc/10/65/49/393106549.db2.gz FQOJJDSHRIXMMV-JSGCOSHPSA-N 2 0 265.401 1.071 10 0 CDAERP CCn1nncc1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000459293015 393067485 /nfs/dbraw/zinc/06/74/85/393067485.db2.gz DZEIMVKTBQIGQG-UHFFFAOYSA-N 2 0 265.405 1.462 10 0 CDAERP CC(C)(C[NH2+][C@@H]1CCC(=O)NC1(C)C)C[NH+]1CCCC1 ZINC000494943297 393136654 /nfs/dbraw/zinc/13/66/54/393136654.db2.gz VMYIFLAUFVBULH-CYBMUJFWSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)[NH+]1CCN(CCC[N@H+](C)CC2CC2)CC1 ZINC000192723380 393164936 /nfs/dbraw/zinc/16/49/36/393164936.db2.gz HZKSYKTUKKSZRI-UHFFFAOYSA-N 2 0 253.434 1.744 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@H](O)[C@H]1C ZINC000648800876 393375241 /nfs/dbraw/zinc/37/52/41/393375241.db2.gz XGJUUDGYMDSONG-IUODEOHRSA-N 2 0 272.352 1.531 10 0 CDAERP C[C@@](O)(C[NH3+])CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000070521657 134952348 /nfs/dbraw/zinc/95/23/48/134952348.db2.gz RIQASYFPSIGPEK-KRWDZBQOSA-N 2 0 291.439 1.689 10 0 CDAERP Cc1ccc(C(=O)NCC[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000133761806 139871544 /nfs/dbraw/zinc/87/15/44/139871544.db2.gz QLTNAGODXNJZSB-OAHLLOKOSA-N 2 0 275.396 1.457 10 0 CDAERP c1ccn2c(c1)nnc2C1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000178978049 140011095 /nfs/dbraw/zinc/01/10/95/140011095.db2.gz BMICBBTWICWFGJ-UHFFFAOYSA-N 2 0 299.422 1.908 10 0 CDAERP c1ccc(C[NH+]2CCCC2)c(CNC2=[NH+]CCCN2)c1 ZINC000195522146 140159144 /nfs/dbraw/zinc/15/91/44/140159144.db2.gz QPZVUUFXHCDVTF-UHFFFAOYSA-N 2 0 272.396 1.721 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]CCn2cc(C)cn2)[C@@H](C)C1 ZINC000245655208 140272866 /nfs/dbraw/zinc/27/28/66/140272866.db2.gz FWEVRUBRGXCOOB-KBPBESRZSA-N 2 0 250.390 1.511 10 0 CDAERP C[C@@H]1CCC[C@](CNC(=O)[C@H]2CC[C@H]([NH3+])C2)([NH+](C)C)C1 ZINC000251762116 140312751 /nfs/dbraw/zinc/31/27/51/140312751.db2.gz KGCZFRXCLCEEIK-HOSILWTGSA-N 2 0 281.444 1.741 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)CC[NH2+]1 ZINC000662591094 413158191 /nfs/dbraw/zinc/15/81/91/413158191.db2.gz PPIRSYARTIJHQF-CWRNSKLLSA-N 2 0 293.455 1.613 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CNC(=O)C1CCC([NH3+])CC1 ZINC000037623209 398096859 /nfs/dbraw/zinc/09/68/59/398096859.db2.gz KNQJXBVINXZHSH-BPCQOVAHSA-N 2 0 253.390 1.104 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000416794549 296583675 /nfs/dbraw/zinc/58/36/75/296583675.db2.gz PVGIFSBHPISESP-DGCLKSJQSA-N 2 0 296.459 1.593 10 0 CDAERP C[C@H](Cc1cnccn1)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000658106265 413207412 /nfs/dbraw/zinc/20/74/12/413207412.db2.gz HJMXZSLNYGPJFQ-CABCVRRESA-N 2 0 293.459 1.269 10 0 CDAERP CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+][C@H](C)C2CC[NH+](C)CC2)C1 ZINC000658112626 413209273 /nfs/dbraw/zinc/20/92/73/413209273.db2.gz CCZQAKMFTWNOJQ-XBVQOTNRSA-N 2 0 298.471 1.872 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000658110050 413209443 /nfs/dbraw/zinc/20/94/43/413209443.db2.gz ZOHSRCHEFZCGGM-SOUVJXGZSA-N 2 0 293.459 1.751 10 0 CDAERP C[NH+](C)CCCC1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000121870666 147388007 /nfs/dbraw/zinc/38/80/07/147388007.db2.gz MGCFDGIQSKOCFN-LBPRGKRZSA-N 2 0 282.350 1.963 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CCOC[C@@H]1C ZINC000658110069 413210444 /nfs/dbraw/zinc/21/04/44/413210444.db2.gz ZQDGZCCASCTKOU-KKUMJFAQSA-N 2 0 271.449 1.273 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CCOC[C@H]1C ZINC000658110067 413211440 /nfs/dbraw/zinc/21/14/40/413211440.db2.gz ZQDGZCCASCTKOU-ILXRZTDVSA-N 2 0 271.449 1.273 10 0 CDAERP CN(C)c1cc[nH+]cc1C(=O)N1CCC([NH+](C)C)CC1 ZINC000352436909 155187314 /nfs/dbraw/zinc/18/73/14/155187314.db2.gz AGMWZAZSSQPYKZ-UHFFFAOYSA-N 2 0 276.384 1.314 10 0 CDAERP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000182920647 148274139 /nfs/dbraw/zinc/27/41/39/148274139.db2.gz CKWVNGLXGNHKNI-DZGCQCFKSA-N 2 0 283.460 1.940 10 0 CDAERP OCCC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000097817675 304823286 /nfs/dbraw/zinc/82/32/86/304823286.db2.gz POCHCXKTCHMWRL-MELADBBJSA-N 2 0 252.402 1.659 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1C[C@@H](C)[C@H]([NH3+])C1 ZINC000262104942 149019023 /nfs/dbraw/zinc/01/90/23/149019023.db2.gz VWRAGGQFFXTEHK-IAQYHMDHSA-N 2 0 271.368 1.355 10 0 CDAERP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C1(C[NH3+])CCOCC1 ZINC000262285393 149046913 /nfs/dbraw/zinc/04/69/13/149046913.db2.gz OEGKYJBQICSQKO-AWEZNQCLSA-N 2 0 297.443 1.075 10 0 CDAERP CCC[C@](C)([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000262655703 149090318 /nfs/dbraw/zinc/09/03/18/149090318.db2.gz CRSXUDFJRPTCQK-BZPMIXESSA-N 2 0 255.406 1.445 10 0 CDAERP CN(CC[NH2+]CC1CC1)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001664240205 1172829276 /nfs/dbraw/zinc/82/92/76/1172829276.db2.gz DYXWNCJSLNODRQ-GJZGRUSLSA-N 2 0 279.428 1.461 10 0 CDAERP CN(C(=O)[C@@]1(C)CCC[NH2+]C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000334904561 150057975 /nfs/dbraw/zinc/05/79/75/150057975.db2.gz UWGRBNKOKPCVGN-HIFRSBDPSA-N 2 0 265.401 1.071 10 0 CDAERP CC[C@H]1C[C@H](C[NH2+]CCOCC[NH+](C)C)CCO1 ZINC000349189231 154065533 /nfs/dbraw/zinc/06/55/33/154065533.db2.gz GDYZNLRKZODMCE-KGLIPLIRSA-N 2 0 258.406 1.359 10 0 CDAERP COc1cc([C@@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)ccc1F ZINC000349205176 154068330 /nfs/dbraw/zinc/06/83/30/154068330.db2.gz YVLMZLLXVLHGEM-GFCCVEGCSA-N 2 0 296.386 1.942 10 0 CDAERP O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)[C@H]1CCC[NH2+]1 ZINC000662689603 413320432 /nfs/dbraw/zinc/32/04/32/413320432.db2.gz WXZLRSSFHGCTNB-KGLIPLIRSA-N 2 0 275.352 1.038 10 0 CDAERP COc1c[nH+]ccc1N1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000355646711 157163323 /nfs/dbraw/zinc/16/33/23/157163323.db2.gz FWPPBUPXJOVZSC-AWEZNQCLSA-N 2 0 291.395 1.639 10 0 CDAERP CC[N@@H+]1CCC[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC000362661798 159206318 /nfs/dbraw/zinc/20/63/18/159206318.db2.gz GGCLVUXMSYNWLF-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)CC2([NH3+])CC2)[C@H](C)C1 ZINC000662745789 413420501 /nfs/dbraw/zinc/42/05/01/413420501.db2.gz OITUFWYZILOZMD-VXGBXAGGSA-N 2 0 253.390 1.057 10 0 CDAERP Cc1cccnc1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000404944297 413431880 /nfs/dbraw/zinc/43/18/80/413431880.db2.gz OKTCZTPHUFJJLA-SOUVJXGZSA-N 2 0 259.397 1.910 10 0 CDAERP C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000405007856 413447886 /nfs/dbraw/zinc/44/78/86/413447886.db2.gz CCPKMLAXUJPFRP-HZSPNIEDSA-N 2 0 267.417 1.304 10 0 CDAERP C[C@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000344455207 165068716 /nfs/dbraw/zinc/06/87/16/165068716.db2.gz XAASGDXLHBARGL-BLLLJJGKSA-N 2 0 279.403 1.927 10 0 CDAERP C[C@@H](CCCC[NH3+])NC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662564998 411768377 /nfs/dbraw/zinc/76/83/77/411768377.db2.gz DCCMUUYVJSTJTL-WFASDCNBSA-N 2 0 275.396 1.855 10 0 CDAERP CN1CC[NH+](CCCC(=O)Nc2ccccc2C[NH3+])CC1 ZINC000022151808 171359202 /nfs/dbraw/zinc/35/92/02/171359202.db2.gz UFBNSWJIZCRRTN-UHFFFAOYSA-N 2 0 290.411 1.111 10 0 CDAERP C[C@H]1C[N@H+](CCC(=O)Nc2ccc(C[NH3+])cc2)CCO1 ZINC000022153202 171360134 /nfs/dbraw/zinc/36/01/34/171360134.db2.gz POWMGTLLLYJNQM-LBPRGKRZSA-N 2 0 277.368 1.195 10 0 CDAERP CC[NH+]1CCN([C@@H](C)C(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000022216264 171375704 /nfs/dbraw/zinc/37/57/04/171375704.db2.gz NRTGZKPOOZZCKR-ZDUSSCGKSA-N 2 0 290.411 1.110 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000653176320 412116617 /nfs/dbraw/zinc/11/66/17/412116617.db2.gz PZSWVHCWBMOMIX-ZDUSSCGKSA-N 2 0 255.406 1.223 10 0 CDAERP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@@H]3CCCC[C@H]3[NH2+]1)C2 ZINC000653198133 412130954 /nfs/dbraw/zinc/13/09/54/412130954.db2.gz KJSBBHRBHGVMFO-JBXGNFEISA-N 2 0 291.439 1.495 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654603680 413493625 /nfs/dbraw/zinc/49/36/25/413493625.db2.gz MWJJPLLXGAARFB-GASCZTMLSA-N 2 0 298.475 1.604 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000660834995 413541603 /nfs/dbraw/zinc/54/16/03/413541603.db2.gz CPJQMFXINMVWHE-UONOGXRCSA-N 2 0 298.475 1.889 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCC[NH2+]CC1 ZINC000049478400 287263530 /nfs/dbraw/zinc/26/35/30/287263530.db2.gz IVOZBUQRQHFDNN-CYBMUJFWSA-N 2 0 253.390 1.073 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000662845538 413597068 /nfs/dbraw/zinc/59/70/68/413597068.db2.gz JFVAWNNHSSQCJC-WFASDCNBSA-N 2 0 267.417 1.365 10 0 CDAERP [NH3+]C1(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CCCC1 ZINC000662884913 413653855 /nfs/dbraw/zinc/65/38/55/413653855.db2.gz QSGMKIYVXAZIMF-AWEZNQCLSA-N 2 0 289.379 1.558 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]3C[NH+](C)CC[C@@H]32)C1 ZINC000654927587 413823782 /nfs/dbraw/zinc/82/37/82/413823782.db2.gz SUGQCUOKNJSCRP-KFWWJZLASA-N 2 0 279.428 1.271 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000659452144 413836034 /nfs/dbraw/zinc/83/60/34/413836034.db2.gz XZSBLQJODOVQQD-HUUCEWRRSA-N 2 0 298.475 1.779 10 0 CDAERP CCOCCC[N@@H+]1CC[C@@H](NCC23CC(C2)C[NH2+]3)[C@@H](C)C1 ZINC000665277742 414013701 /nfs/dbraw/zinc/01/37/01/414013701.db2.gz KKQZFTJRESDEKG-ORBLRFAASA-N 2 0 295.471 1.465 10 0 CDAERP CN(CC1C[NH+](C)C1)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000661287020 413956436 /nfs/dbraw/zinc/95/64/36/413956436.db2.gz BLGPYNUYQYPDJI-UHFFFAOYSA-N 2 0 294.443 1.206 10 0 CDAERP Cc1ccncc1CC[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000665239661 413968401 /nfs/dbraw/zinc/96/84/01/413968401.db2.gz WTBCKEXIEJIEKX-VHDGCEQUSA-N 2 0 263.385 1.274 10 0 CDAERP C[C@@H](N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000665252772 413979648 /nfs/dbraw/zinc/97/96/48/413979648.db2.gz YRYRURGADQVQLL-MXASKKJJSA-N 2 0 273.424 1.862 10 0 CDAERP [NH3+]C[C@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000665273698 414004824 /nfs/dbraw/zinc/00/48/24/414004824.db2.gz BTEZKAYFFBSPRN-QKPAOTATSA-N 2 0 293.455 1.347 10 0 CDAERP C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)[C@H]1CC1(C)C ZINC000665292852 414032811 /nfs/dbraw/zinc/03/28/11/414032811.db2.gz KUNKGEOXLOYKGT-WCBMZHEXSA-N 2 0 250.346 1.165 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cnn(CC(F)F)c2)C1 ZINC000655824996 414232292 /nfs/dbraw/zinc/23/22/92/414232292.db2.gz SVEFWAGGIIXQQJ-KLPPZKSPSA-N 2 0 272.343 1.578 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2c[nH]nc2-c2cccnc2)C1 ZINC000655827667 414236636 /nfs/dbraw/zinc/23/66/36/414236636.db2.gz XJIXUKIPIOKYAH-JNSHFYNHSA-N 2 0 285.395 1.902 10 0 CDAERP CN1CCC[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657325210 414174557 /nfs/dbraw/zinc/17/45/57/414174557.db2.gz LFNYRAYTZYOMDH-CYBMUJFWSA-N 2 0 271.368 1.451 10 0 CDAERP O[C@@]1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCSC1 ZINC000657382392 414260275 /nfs/dbraw/zinc/26/02/75/414260275.db2.gz DBHJYHOWAZIUKU-CQSZACIVSA-N 2 0 290.392 1.225 10 0 CDAERP CC[C@@H]1CCC[C@H](C[N@@H+]2CCOC3(CNC3)C2)C1 ZINC000663513011 414316557 /nfs/dbraw/zinc/31/65/57/414316557.db2.gz QFSUUAREZMXFJA-KGLIPLIRSA-N 2 0 252.402 1.877 10 0 CDAERP CC[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CO1 ZINC000657398834 414285520 /nfs/dbraw/zinc/28/55/20/414285520.db2.gz CTQTUTCFHBUARP-XUWVNRHRSA-N 2 0 282.428 1.521 10 0 CDAERP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@]1(O)CCCOC1 ZINC000659959869 414299371 /nfs/dbraw/zinc/29/93/71/414299371.db2.gz GITKRNVRNGYKCA-HUUCEWRRSA-N 2 0 270.417 1.334 10 0 CDAERP c1nc2c([nH]1)C[C@@H]([NH2+]Cc1cnn3c1CCC3)CC2 ZINC000657470342 414368161 /nfs/dbraw/zinc/36/81/61/414368161.db2.gz QGUFBSRIWKKMEE-NSHDSACASA-N 2 0 257.341 1.200 10 0 CDAERP O[C@@H]1CC[N@@H+](C2CCN(CCC[NH+]3CCCCC3)CC2)C1 ZINC000662151465 414537483 /nfs/dbraw/zinc/53/74/83/414537483.db2.gz HSPWOKMYDTVIKU-QGZVFWFLSA-N 2 0 295.471 1.393 10 0 CDAERP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@H+](C1CC1)C1CCCC1 ZINC000662251144 414585460 /nfs/dbraw/zinc/58/54/60/414585460.db2.gz ZZAQSAXVBYPSKS-AWEZNQCLSA-N 2 0 250.386 1.914 10 0 CDAERP COCC[N@@H+](Cc1ccccc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249351 414585642 /nfs/dbraw/zinc/58/56/42/414585642.db2.gz LPMYDCDRNXZISR-MRXNPFEDSA-N 2 0 290.407 1.656 10 0 CDAERP CCC[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C[C@H]1CCCCO1 ZINC000662255753 414590334 /nfs/dbraw/zinc/59/03/34/414590334.db2.gz DDEMCDYREDUIFZ-HUUCEWRRSA-N 2 0 282.428 1.789 10 0 CDAERP CO[C@@H](C)C[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C(C)C ZINC000662256276 414592885 /nfs/dbraw/zinc/59/28/85/414592885.db2.gz KBTGOSQLPSRPKN-QWHCGFSZSA-N 2 0 256.390 1.253 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662263017 414599212 /nfs/dbraw/zinc/59/92/12/414599212.db2.gz KBKZWYDLADROLQ-HUUCEWRRSA-N 2 0 281.444 1.171 10 0 CDAERP CCC[NH+]1CCN(c2ncc(CC[NH2+]C)s2)CC1 ZINC000040408615 174254031 /nfs/dbraw/zinc/25/40/31/174254031.db2.gz OJBJXDJYGJTNEH-UHFFFAOYSA-N 2 0 268.430 1.437 10 0 CDAERP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000040490699 174291707 /nfs/dbraw/zinc/29/17/07/174291707.db2.gz YKKNZHMLUMPWTL-AGIUHOORSA-N 2 0 255.406 1.350 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000040503594 174300741 /nfs/dbraw/zinc/30/07/41/174300741.db2.gz AMDCGTQTJYLMHO-CABCVRRESA-N 2 0 275.396 1.157 10 0 CDAERP CC(C)CC[C@@H](C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508107 174302796 /nfs/dbraw/zinc/30/27/96/174302796.db2.gz FSEWXAQARXGEOE-HUUCEWRRSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)Oc1cccc(C[NH2+]CCN2CC[NH+](C)CC2)c1 ZINC000040640614 174364413 /nfs/dbraw/zinc/36/44/13/174364413.db2.gz YRJYAFBDKLMKAJ-UHFFFAOYSA-N 2 0 291.439 1.811 10 0 CDAERP CC(C)[C@@H]([NH3+])CN1CCC([NH+]2CCCCC2)CC1 ZINC000040694448 174378259 /nfs/dbraw/zinc/37/82/59/174378259.db2.gz PYMNAAUIMXDCJX-HNNXBMFYSA-N 2 0 253.434 1.920 10 0 CDAERP CCCc1cc(N2CCC[N@H+](CCCC[NH3+])CC2)ncn1 ZINC000040765473 174397883 /nfs/dbraw/zinc/39/78/83/174397883.db2.gz UFAAKFIKRYPANG-UHFFFAOYSA-N 2 0 291.443 1.680 10 0 CDAERP CC[NH+]1CCN([C@@H](C[NH3+])c2cccc(C)c2C)CC1 ZINC000043314473 175004682 /nfs/dbraw/zinc/00/46/82/175004682.db2.gz RCRDSBGDLJOIED-INIZCTEOSA-N 2 0 261.413 1.941 10 0 CDAERP C[C@H]([NH3+])[C@H](c1ccco1)N1CC[NH+](CC2CC2)CC1 ZINC000043335797 175011198 /nfs/dbraw/zinc/01/11/98/175011198.db2.gz CZFUFGWRDRXNQK-SWLSCSKDSA-N 2 0 263.385 1.696 10 0 CDAERP CC(C)[NH+]1CCN([C@@H](c2ccco2)[C@H](C)[NH3+])CC1 ZINC000043335149 175011240 /nfs/dbraw/zinc/01/12/40/175011240.db2.gz YXKUJVPLSUJHNH-GXTWGEPZSA-N 2 0 251.374 1.694 10 0 CDAERP C[C@H]([NH3+])[C@H](c1cccnc1)N1CCC(C[NH+](C)C)CC1 ZINC000043347938 175018070 /nfs/dbraw/zinc/01/80/70/175018070.db2.gz WEQHQQLMRMBUBZ-XJKSGUPXSA-N 2 0 276.428 1.744 10 0 CDAERP CC[C@@H]([NH3+])[C@@H](c1ccncc1)N1CC[NH+](C(C)C)CC1 ZINC000043353682 175020878 /nfs/dbraw/zinc/02/08/78/175020878.db2.gz NLILWYBKGMIPKB-HZPDHXFCSA-N 2 0 276.428 1.886 10 0 CDAERP C[C@H]([NH3+])[C@H](N(C)C1CC[NH+](C)CC1)C(F)(F)F ZINC000043376449 175030259 /nfs/dbraw/zinc/03/02/59/175030259.db2.gz PTGMRPYEHUEWIR-WPRPVWTQSA-N 2 0 253.312 1.291 10 0 CDAERP [NH3+]CC1(N2CCO[C@H]3CCCC[C@@H]32)CCOCC1 ZINC000043424833 175040051 /nfs/dbraw/zinc/04/00/51/175040051.db2.gz YTDPQJDSZRZVKY-STQMWFEESA-N 2 0 254.374 1.138 10 0 CDAERP CC[C@H](C(N)=[NH2+])N1CC[NH+](Cc2ccccc2)CC1 ZINC000043545427 175064428 /nfs/dbraw/zinc/06/44/28/175064428.db2.gz LTGVUHXAYIMAAE-CQSZACIVSA-N 2 0 260.385 1.519 10 0 CDAERP CCC[NH+]1CCN(C[C@H]([NH2+]C)c2ccccc2OC)CC1 ZINC000043805260 175107527 /nfs/dbraw/zinc/10/75/27/175107527.db2.gz SZSOGYAOUQJMIK-INIZCTEOSA-N 2 0 291.439 1.983 10 0 CDAERP C[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000043810451 175109638 /nfs/dbraw/zinc/10/96/38/175109638.db2.gz QYCVPNKLAMABSN-OAHLLOKOSA-N 2 0 263.385 1.203 10 0 CDAERP C[NH2+][C@@H]1c2ccccc2C[C@@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815215 175111838 /nfs/dbraw/zinc/11/18/38/175111838.db2.gz KZJHOBLVJXYHDV-DLBZAZTESA-N 2 0 273.424 1.898 10 0 CDAERP C[NH2+][C@H](C)CCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000043817803 175112771 /nfs/dbraw/zinc/11/27/71/175112771.db2.gz LRARKPXVHCMZPV-GDBMZVCRSA-N 2 0 261.413 1.973 10 0 CDAERP [NH3+]CC1CC[NH+](CC(=O)N2CCCCCCC2)CC1 ZINC000044513297 175188876 /nfs/dbraw/zinc/18/88/76/175188876.db2.gz HNFVXQRPVOYILC-UHFFFAOYSA-N 2 0 267.417 1.450 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1(C[NH3+])CCOCC1 ZINC000044762200 175246325 /nfs/dbraw/zinc/24/63/25/175246325.db2.gz DIULLDPZCGEDTF-CQSZACIVSA-N 2 0 297.443 1.123 10 0 CDAERP CCCC(C[NH3+])(CCC)C(=O)N1CCC[N@H+](C)CC1 ZINC000044799468 175255434 /nfs/dbraw/zinc/25/54/34/175255434.db2.gz LCGBWKPQHKWLRU-UHFFFAOYSA-N 2 0 269.433 1.696 10 0 CDAERP COC(=O)[C@](C)([NH3+])CCC[N@H+](C)CCc1ccncc1 ZINC000045419831 175378167 /nfs/dbraw/zinc/37/81/67/175378167.db2.gz NGWXIIQBDOEYNS-OAHLLOKOSA-N 2 0 279.384 1.227 10 0 CDAERP CCC[NH2+][C@H]1CCCN([C@@H](C)C[NH+]2CCCC2)C1=O ZINC000071033566 176023988 /nfs/dbraw/zinc/02/39/88/176023988.db2.gz NMRGTBRLFBIMRJ-KBPBESRZSA-N 2 0 267.417 1.461 10 0 CDAERP CCC[NH2+][C@@H]1CCCN(C[C@@H]2CC[N@@H+](C(C)C)C2)C1=O ZINC000071035243 176024830 /nfs/dbraw/zinc/02/48/30/176024830.db2.gz IZCUDHWENLNFDH-HUUCEWRRSA-N 2 0 281.444 1.707 10 0 CDAERP C[NH2+][C@H]1CCCN([C@H](C)C[NH+]2CCCCC2)C1=O ZINC000071037363 176026189 /nfs/dbraw/zinc/02/61/89/176026189.db2.gz JFKJRRZCBDNQIZ-OLZOCXBDSA-N 2 0 253.390 1.071 10 0 CDAERP CC[C@@H]1CCC[C@@](C[NH3+])(N2CC[NH+](CC)CC2)C1 ZINC000071122953 176035023 /nfs/dbraw/zinc/03/50/23/176035023.db2.gz LAUPXTOFTDQWFO-HUUCEWRRSA-N 2 0 253.434 1.922 10 0 CDAERP CCN(CC)C(=O)CCC[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000071145430 176042107 /nfs/dbraw/zinc/04/21/07/176042107.db2.gz IPAOSXKTAMDIKD-ZDUSSCGKSA-N 2 0 255.406 1.176 10 0 CDAERP CC[C@@]1(C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)CCC[NH2+]C1 ZINC000071189600 176065936 /nfs/dbraw/zinc/06/59/36/176065936.db2.gz MGPHVXVMAAQHII-UKRRQHHQSA-N 2 0 267.417 1.176 10 0 CDAERP C[N@H+](C[C@@H]1CC[NH+](C)C1)[C@@H]1CCc2ccccc2[C@@H]1O ZINC000071190560 176067088 /nfs/dbraw/zinc/06/70/88/176067088.db2.gz NQLLZDICDAKPSW-XYPHTWIQSA-N 2 0 274.408 1.918 10 0 CDAERP CC(C)[NH2+]CC1(CN(C)C[C@@H]2CC[N@H+](C)C2)CCOCC1 ZINC000071191282 176069227 /nfs/dbraw/zinc/06/92/27/176069227.db2.gz YSQMUOKOHJWVRS-MRXNPFEDSA-N 2 0 297.487 1.665 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)C[C@@]1(C[NH2+]C(C)(C)C)CCOC1 ZINC000071191472 176070226 /nfs/dbraw/zinc/07/02/26/176070226.db2.gz KTNUBWQYOPNEOB-WBVHZDCISA-N 2 0 297.487 1.665 10 0 CDAERP CC(C)[NH2+]Cc1cc(CN(C)C[C@@H]2CC[N@H+](C)C2)on1 ZINC000071191908 176072369 /nfs/dbraw/zinc/07/23/69/176072369.db2.gz FUOLVLUZZCEZIG-CYBMUJFWSA-N 2 0 280.416 1.556 10 0 CDAERP CCC[NH2+]Cc1ccnc(N(C)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000071191712 176072552 /nfs/dbraw/zinc/07/25/52/176072552.db2.gz HWPVKIJBJGMZDF-OAHLLOKOSA-N 2 0 276.428 1.969 10 0 CDAERP C[C@H]1C[C@@H]([NH3+])CC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071193292 176075478 /nfs/dbraw/zinc/07/54/78/176075478.db2.gz GMHJRIXZEMUIOC-CRWXNKLISA-N 2 0 267.417 1.160 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN1CCC[C@H]([NH2+]C2CC2)C1 ZINC000071197068 176076610 /nfs/dbraw/zinc/07/66/10/176076610.db2.gz KEHJABJGFURVPD-GJZGRUSLSA-N 2 0 251.418 1.687 10 0 CDAERP CCC[C@@H](C[NH3+])C(=O)NCC[N@H+](C)C1CCCC1 ZINC000071377513 176142578 /nfs/dbraw/zinc/14/25/78/176142578.db2.gz YCZDOTKJCOPRJA-LBPRGKRZSA-N 2 0 255.406 1.352 10 0 CDAERP C[N@H+](CCNC(=O)C1CCC([NH3+])CC1)C1CCCC1 ZINC000071378619 176143389 /nfs/dbraw/zinc/14/33/89/176143389.db2.gz BBGMYQNYTCNJFK-UHFFFAOYSA-N 2 0 267.417 1.495 10 0 CDAERP CCN1CC[NH+](C[C@@H](CC[NH3+])c2cc[nH]c2)CC1 ZINC000076655203 177045154 /nfs/dbraw/zinc/04/51/54/177045154.db2.gz WBEWKXBYBHBRIZ-CQSZACIVSA-N 2 0 250.390 1.085 10 0 CDAERP C[C@@H]1CCN(C(=O)c2ccc(C[NH3+])cc2)C[C@@H]1C[NH3+] ZINC000334961870 287568450 /nfs/dbraw/zinc/56/84/50/287568450.db2.gz OTVGZRWDWZWLQG-RISCZKNCSA-N 2 0 261.369 1.202 10 0 CDAERP O=C(CC[NH2+]C1CC1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000517245918 260130723 /nfs/dbraw/zinc/13/07/23/260130723.db2.gz FTAJMHWVDSYPQT-JSGCOSHPSA-N 2 0 265.401 1.119 10 0 CDAERP CO[C@@H](C[NH+]1CCC2(CC[NH2+]C2)CC1)C1CCC1 ZINC000662274549 423839870 /nfs/dbraw/zinc/83/98/70/423839870.db2.gz VPKHSMHMRZXQMI-AWEZNQCLSA-N 2 0 252.402 1.877 10 0 CDAERP CC(C)NC(=O)[C@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000662315195 423948727 /nfs/dbraw/zinc/94/87/27/423948727.db2.gz CPDHHGVSJIKCEC-KGLIPLIRSA-N 2 0 267.417 1.223 10 0 CDAERP Cn1cncc1CCC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662326129 423958127 /nfs/dbraw/zinc/95/81/27/423958127.db2.gz OKUPTUPGYAGZEY-INIZCTEOSA-N 2 0 294.443 1.395 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(C)CC[NH+]1CCCCC1 ZINC000652215876 424068776 /nfs/dbraw/zinc/06/87/76/424068776.db2.gz BTCOESGZLBMATH-KGLIPLIRSA-N 2 0 282.432 1.112 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000652225322 424089264 /nfs/dbraw/zinc/08/92/64/424089264.db2.gz WEFKIVSXHMGACB-GJZGRUSLSA-N 2 0 298.475 1.591 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000652225153 424089359 /nfs/dbraw/zinc/08/93/59/424089359.db2.gz RQAMAJVFOWRALH-HUUCEWRRSA-N 2 0 298.475 1.876 10 0 CDAERP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCCC1(C[NH3+])CC1 ZINC000652234885 424111759 /nfs/dbraw/zinc/11/17/59/424111759.db2.gz NVOATUDPVLRPFG-KBPBESRZSA-N 2 0 294.443 1.384 10 0 CDAERP CC[N@@H+]1C[C@H](C)N(C(=O)NCCC2(C[NH3+])CC2)C[C@@H]1C ZINC000652238988 424119048 /nfs/dbraw/zinc/11/90/48/424119048.db2.gz XZHPCSUIPNGZHR-STQMWFEESA-N 2 0 282.432 1.240 10 0 CDAERP CC[N@H+](C)C[C@H]1CCN(C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652240401 424121122 /nfs/dbraw/zinc/12/11/22/424121122.db2.gz ZPAIKEFVWYRMGM-CYBMUJFWSA-N 2 0 282.432 1.099 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)cc1 ZINC000653054498 424181462 /nfs/dbraw/zinc/18/14/62/424181462.db2.gz XXUIVPUITDMWSU-KNXALSJPSA-N 2 0 287.407 1.853 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1)C1CCCCC1 ZINC000653109783 424273715 /nfs/dbraw/zinc/27/37/15/424273715.db2.gz MGVHJDJURUSRJP-HZPDHXFCSA-N 2 0 293.455 1.898 10 0 CDAERP CC(C)S(=O)(=O)CCCN1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000652354759 424297677 /nfs/dbraw/zinc/29/76/77/424297677.db2.gz HJPDEHKGHUWFSC-UONOGXRCSA-N 2 0 290.473 1.649 10 0 CDAERP CCCCNC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652360584 424323381 /nfs/dbraw/zinc/32/33/81/424323381.db2.gz LYXOCWZJDQHOPU-KFWWJZLASA-N 2 0 297.443 1.264 10 0 CDAERP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H]3COC[C@]3(C)C2)CC1 ZINC000661703148 424324711 /nfs/dbraw/zinc/32/47/11/424324711.db2.gz JJEKIYXWBPJNIA-SJORKVTESA-N 2 0 295.471 1.371 10 0 CDAERP CC(C)OCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652360469 424325866 /nfs/dbraw/zinc/32/58/66/424325866.db2.gz IWNBIUWQHYYFKM-ZNMIVQPWSA-N 2 0 270.417 1.772 10 0 CDAERP CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H](C)[NH3+] ZINC000655489626 424506372 /nfs/dbraw/zinc/50/63/72/424506372.db2.gz WVHMZSGKNBFMSH-NDBYEHHHSA-N 2 0 255.406 1.062 10 0 CDAERP C[C@H](CC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@H]1CCC[NH2+]C1 ZINC000655488512 424506474 /nfs/dbraw/zinc/50/64/74/424506474.db2.gz CEAKEUCEIUZENU-KBXIAJHMSA-N 2 0 281.444 1.469 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1cnccc1C(F)(F)F ZINC000665298802 424517511 /nfs/dbraw/zinc/51/75/11/424517511.db2.gz ABLOPHXBMBKFPM-NSHDSACASA-N 2 0 291.317 1.944 10 0 CDAERP COC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCOCC1 ZINC000665235796 424469676 /nfs/dbraw/zinc/46/96/76/424469676.db2.gz AGMWHCQIBJLXBS-IXXDHKBRSA-N 2 0 268.401 1.301 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1)C1C[NH2+]C1 ZINC000665263388 424477658 /nfs/dbraw/zinc/47/76/58/424477658.db2.gz LNRDRDUXYMXBCT-NOLJZWGESA-N 2 0 260.381 1.757 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](CO)CCF ZINC000652020444 424592834 /nfs/dbraw/zinc/59/28/34/424592834.db2.gz YDMKEUPEMWPQCW-ZDUSSCGKSA-N 2 0 278.331 1.386 10 0 CDAERP C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@@H]1C[NH2+]CCCF ZINC001667399734 1173262794 /nfs/dbraw/zinc/26/27/94/1173262794.db2.gz CIDQMKNTVVPSPI-HUUCEWRRSA-N 2 0 299.434 1.659 10 0 CDAERP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)[C@@H]1CC1(C)C ZINC000397784998 270351207 /nfs/dbraw/zinc/35/12/07/270351207.db2.gz YBPFZSGLXYXRTQ-KGLIPLIRSA-N 2 0 253.434 1.648 10 0 CDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H]([NH3+])C1CCC1 ZINC000399155923 270368796 /nfs/dbraw/zinc/36/87/96/270368796.db2.gz CXOMKACCCUGBLY-CZUORRHYSA-N 2 0 289.423 1.751 10 0 CDAERP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1)[C@@H](C)[NH3+] ZINC000423974000 270384679 /nfs/dbraw/zinc/38/46/79/270384679.db2.gz FEPRWXXJQGBNQJ-NRWUCQMLSA-N 2 0 255.406 1.049 10 0 CDAERP [NH3+]CC[C@H]1CCC[N@H+](Cc2cc(CO)ccc2F)C1 ZINC000530216334 271158172 /nfs/dbraw/zinc/15/81/72/271158172.db2.gz ATABDCGYXLEGSL-GFCCVEGCSA-N 2 0 266.360 1.879 10 0 CDAERP O=C(N1CC[NH2+]CC1)N1CC[NH+](CCC2CCCC2)CC1 ZINC000530220806 271161665 /nfs/dbraw/zinc/16/16/65/271161665.db2.gz BWSIEGLOCQOCDI-UHFFFAOYSA-N 2 0 294.443 1.210 10 0 CDAERP COc1ccc(CC[NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)cn1 ZINC000530242832 271179092 /nfs/dbraw/zinc/17/90/92/271179092.db2.gz DPBYUHHIMFGBSS-GXTWGEPZSA-N 2 0 263.385 1.610 10 0 CDAERP c1cc2c(cc1NC[C@@]13C[C@@H]1C[NH2+]C3)OCC[NH2+]C2 ZINC000530247514 271181857 /nfs/dbraw/zinc/18/18/57/271181857.db2.gz VMKZLYHADOMWGR-DOMZBBRYSA-N 2 0 259.353 1.190 10 0 CDAERP CC(C)(C)[NH2+]CCN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530248289 271183474 /nfs/dbraw/zinc/18/34/74/271183474.db2.gz IERRPMTWAVYXFU-HNNXBMFYSA-N 2 0 283.460 1.465 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000357398418 276006851 /nfs/dbraw/zinc/00/68/51/276006851.db2.gz YGOBLNVPVAGHGD-MGPQQGTHSA-N 2 0 267.417 1.460 10 0 CDAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3c2cnn3C)C1 ZINC000249381195 276212705 /nfs/dbraw/zinc/21/27/05/276212705.db2.gz RPFWZGYKLBSYQG-JSGCOSHPSA-N 2 0 262.401 1.729 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1 ZINC000456176107 276261041 /nfs/dbraw/zinc/26/10/41/276261041.db2.gz WZXNEKIJICZPFN-MELADBBJSA-N 2 0 265.401 1.023 10 0 CDAERP CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414763128 276280403 /nfs/dbraw/zinc/28/04/03/276280403.db2.gz WYNBSFATIYRSCG-KBXIAJHMSA-N 2 0 298.427 1.417 10 0 CDAERP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C)[C@H]1C ZINC000423403780 277065900 /nfs/dbraw/zinc/06/59/00/277065900.db2.gz SGEFHUTYVDCGHL-YHQUGGNUSA-N 2 0 268.401 1.552 10 0 CDAERP CC(C)(C)OC(=O)N1C[C@H]([NH+]2CCCCC2)[C@@H](C[NH3+])C1 ZINC000058041315 277195878 /nfs/dbraw/zinc/19/58/78/277195878.db2.gz YAAFBUZCEHDXRW-STQMWFEESA-N 2 0 283.416 1.667 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCOc2c(F)cccc21 ZINC000423062335 277245725 /nfs/dbraw/zinc/24/57/25/277245725.db2.gz SYYFGUDRTXPNBT-RISCZKNCSA-N 2 0 282.359 1.993 10 0 CDAERP CC(C)[NH+]1CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000055087648 277608550 /nfs/dbraw/zinc/60/85/50/277608550.db2.gz DMPLURHLFMEQRT-STQMWFEESA-N 2 0 253.390 1.057 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC[N@@H+]1C ZINC000252109487 278022994 /nfs/dbraw/zinc/02/29/94/278022994.db2.gz JJACELQMCQGMOM-KHMAMNHCSA-N 2 0 279.428 1.506 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000337997593 278192049 /nfs/dbraw/zinc/19/20/49/278192049.db2.gz SJCVCPSQQUDNFH-BMFZPTHFSA-N 2 0 265.445 1.791 10 0 CDAERP CC1CC[NH+](CC(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000335054516 278538061 /nfs/dbraw/zinc/53/80/61/278538061.db2.gz ZAPQZYSVBNYPAT-CYBMUJFWSA-N 2 0 267.417 1.304 10 0 CDAERP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000356213857 278579736 /nfs/dbraw/zinc/57/97/36/278579736.db2.gz KEXPSQMVGLHCAT-OLZOCXBDSA-N 2 0 269.433 1.706 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000349661271 279156067 /nfs/dbraw/zinc/15/60/67/279156067.db2.gz HPFAVRZRJAHEFT-HIFRSBDPSA-N 2 0 296.459 1.595 10 0 CDAERP C[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000237626986 279391745 /nfs/dbraw/zinc/39/17/45/279391745.db2.gz MCROZEKQFHBRJV-OFQRWUPVSA-N 2 0 289.423 1.703 10 0 CDAERP CC(C)[C@@H](C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C)[NH+](C)C ZINC000425940677 279786750 /nfs/dbraw/zinc/78/67/50/279786750.db2.gz AHYKLHZSUQYEFC-KFWWJZLASA-N 2 0 283.460 1.952 10 0 CDAERP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccnc2ccccc12 ZINC000228725915 280109421 /nfs/dbraw/zinc/10/94/21/280109421.db2.gz WHLXLULIJYLZEN-MRXNPFEDSA-N 2 0 273.380 1.637 10 0 CDAERP CC[C@@H]([NH3+])CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000418716626 280164129 /nfs/dbraw/zinc/16/41/29/280164129.db2.gz SGKFHTRDFYBPPT-KGLIPLIRSA-N 2 0 282.432 1.384 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCN(c2ccccc2)C1=O ZINC000422686859 280745706 /nfs/dbraw/zinc/74/57/06/280745706.db2.gz AUPRWPSKQKUYGG-HIFRSBDPSA-N 2 0 275.396 1.899 10 0 CDAERP Cc1ccc([C@H](CNC(=O)NCCC[NH3+])[NH+](C)C)cc1 ZINC000417306944 280985609 /nfs/dbraw/zinc/98/56/09/280985609.db2.gz GSOJLFRQZKWCRN-AWEZNQCLSA-N 2 0 278.400 1.246 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000414943372 288323201 /nfs/dbraw/zinc/32/32/01/288323201.db2.gz NSMNLHIZBGKRHS-UXXRCYHCSA-N 2 0 251.418 1.495 10 0 CDAERP CC[C@H](C)C[NH2+]CCN(CC)C(=O)C12CC[NH+](CC1)C2 ZINC001668619083 1173432445 /nfs/dbraw/zinc/43/24/45/1173432445.db2.gz FOZOOPVCVLDTCN-AWEZNQCLSA-N 2 0 281.444 1.566 10 0 CDAERP CCN(CC[NH2+]C[C@@H](C)OC)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001668652227 1173435747 /nfs/dbraw/zinc/43/57/47/1173435747.db2.gz JXANSTMZSAGKPQ-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP C[NH+](C)CCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353500113 289111755 /nfs/dbraw/zinc/11/17/55/289111755.db2.gz WLJAWYPEFTVAGG-RBSFLKMASA-N 3 0 253.434 1.791 10 0 CDAERP C[NH+](C)CCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250348039 289112109 /nfs/dbraw/zinc/11/21/09/289112109.db2.gz HVHGGEWFRZNCGM-RBSFLKMASA-N 3 0 253.434 1.839 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)C1C[NH+](C2CCCCC2)C1 ZINC000457541993 289191335 /nfs/dbraw/zinc/19/13/35/289191335.db2.gz QZRAPAHRMIECLZ-INIZCTEOSA-N 2 0 293.455 1.804 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](N[C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000422835783 289309189 /nfs/dbraw/zinc/30/91/89/289309189.db2.gz JAZZSPWNLCAIBI-JJXSEGSLSA-N 2 0 281.444 1.216 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000261649522 289379709 /nfs/dbraw/zinc/37/97/09/289379709.db2.gz DILNNSILAFMJGG-ZOBORPQBSA-N 2 0 267.417 1.350 10 0 CDAERP C[N@@H+]1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)C2(CCCCC2)C1 ZINC000262648933 290021015 /nfs/dbraw/zinc/02/10/15/290021015.db2.gz PXYAWSGHHQQUIE-CABCVRRESA-N 2 0 293.455 1.981 10 0 CDAERP C[C@H](O)CCC[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000336835041 290069984 /nfs/dbraw/zinc/06/99/84/290069984.db2.gz TYMDUECXYNWUOZ-HOTGVXAUSA-N 2 0 283.460 1.249 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2(C)OCCCO2)[C@H]2CCC[C@@H]21 ZINC000367614730 290215640 /nfs/dbraw/zinc/21/56/40/290215640.db2.gz IAKYPMYHLMFXDF-RDBSUJKOSA-N 2 0 268.401 1.602 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCN2CCSCC2)[C@@H]2CCC[C@H]21 ZINC000353519022 290217940 /nfs/dbraw/zinc/21/79/40/290217940.db2.gz LWLUYUGYGPHGMR-SOUVJXGZSA-N 2 0 283.485 1.498 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](c1ccc(F)cc1)N(C)C ZINC000422719536 293096232 /nfs/dbraw/zinc/09/62/32/293096232.db2.gz YMJVRUDXLOOYKX-HOTGVXAUSA-N 2 0 297.418 1.772 10 0 CDAERP CC[NH2+]Cc1cccc(NC(=O)[C@@H]([NH3+])CCC(=O)OC)c1 ZINC000564331242 293344270 /nfs/dbraw/zinc/34/42/70/293344270.db2.gz UVFFWCRBYWZJID-ZDUSSCGKSA-N 2 0 293.367 1.015 10 0 CDAERP [NH3+][C@@H]1C[C@@H]1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000564935763 293462209 /nfs/dbraw/zinc/46/22/09/293462209.db2.gz CJGMQTDPSOTWSV-UONOGXRCSA-N 2 0 259.353 1.568 10 0 CDAERP C[C@H](CCC[NH3+])NC(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000564957440 293469818 /nfs/dbraw/zinc/46/98/18/293469818.db2.gz PEHWSCNMGTVGIP-ZWNOBZJWSA-N 2 0 267.348 1.112 10 0 CDAERP C[C@H]1[NH2+]CC[C@H]1c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000564958542 293469938 /nfs/dbraw/zinc/46/99/38/293469938.db2.gz HAOFPESWFHTISB-BXKDBHETSA-N 2 0 258.325 1.661 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)c2ccnc(C[NH3+])c2)cc1 ZINC000567666282 293832918 /nfs/dbraw/zinc/83/29/18/293832918.db2.gz IMWMODYHPGOXLU-NSHDSACASA-N 2 0 284.363 1.490 10 0 CDAERP C[C@H]1C[C@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C[C@@H](C)C1 ZINC000568751085 294093810 /nfs/dbraw/zinc/09/38/10/294093810.db2.gz XRCBOTZUVYMSHM-FXUDXRNXSA-N 2 0 283.460 1.009 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000570503452 294250455 /nfs/dbraw/zinc/25/04/55/294250455.db2.gz FJFHNZJIVIKZHF-UHFFFAOYSA-N 2 0 284.448 1.454 10 0 CDAERP CC(C)[C@@H]([NH3+])CNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000574517881 295011842 /nfs/dbraw/zinc/01/18/42/295011842.db2.gz JEILSCMLGKLOFZ-STQMWFEESA-N 2 0 255.406 1.350 10 0 CDAERP CN(CC[N@H+](C)C1CC1)C(=O)NCC1([NH3+])CCCCCC1 ZINC000575236302 295095001 /nfs/dbraw/zinc/09/50/01/295095001.db2.gz XDZLDVCLJHEBFM-UHFFFAOYSA-N 2 0 296.459 1.774 10 0 CDAERP [NH3+]CCCN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000414695527 295229869 /nfs/dbraw/zinc/22/98/69/295229869.db2.gz OYHMXIBDOUWXKW-OAHLLOKOSA-N 2 0 253.434 1.923 10 0 CDAERP [NH3+]CCCNC(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000418179903 295230877 /nfs/dbraw/zinc/23/08/77/295230877.db2.gz XWGGUXWECUDKGZ-UHFFFAOYSA-N 2 0 296.459 1.681 10 0 CDAERP C[C@@]1(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CCC[NH2+]C1 ZINC000336232914 297874739 /nfs/dbraw/zinc/87/47/39/297874739.db2.gz HNCGUHFJNRTOOP-MRXNPFEDSA-N 2 0 291.370 1.800 10 0 CDAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC1CC1 ZINC001669554152 1173569247 /nfs/dbraw/zinc/56/92/47/1173569247.db2.gz WNEQNWAGMGUNRA-GXTWGEPZSA-N 2 0 267.417 1.364 10 0 CDAERP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000261893880 303364035 /nfs/dbraw/zinc/36/40/35/303364035.db2.gz CQVJHKATKQUSRQ-VGVBULKLSA-N 2 0 291.439 1.398 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262249577 303406489 /nfs/dbraw/zinc/40/64/89/303406489.db2.gz SKWZSIUNFPHBDP-PWNZVWSESA-N 2 0 265.401 1.010 10 0 CDAERP O=C(C[C@H]1CC[NH2+]C1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000335397122 303651006 /nfs/dbraw/zinc/65/10/06/303651006.db2.gz VEGKJMGJWHYWEM-UKRRQHHQSA-N 2 0 273.380 1.159 10 0 CDAERP O=C(N1CCC[C@]2(CC[NH2+]C2)C1)C12CCC[NH+]1CCC2 ZINC000335500745 303680051 /nfs/dbraw/zinc/68/00/51/303680051.db2.gz PRGMRKFKFCEUMK-OAHLLOKOSA-N 2 0 277.412 1.217 10 0 CDAERP CN(CCC[NH2+]CC1=CCCCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001670345410 1173673201 /nfs/dbraw/zinc/67/32/01/1173673201.db2.gz SQWOEJUWBWGSDA-MRXNPFEDSA-N 2 0 293.455 1.877 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH2+]C/C=C\Cl ZINC001670357421 1173675092 /nfs/dbraw/zinc/67/50/92/1173675092.db2.gz FEZQIDILQAXLFG-ALCCZGGFSA-N 2 0 275.824 1.517 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001671673955 1173702174 /nfs/dbraw/zinc/70/21/74/1173702174.db2.gz LUNRHPCATGRVOL-OAHLLOKOSA-N 2 0 269.433 1.565 10 0 CDAERP CCCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001671692684 1173704815 /nfs/dbraw/zinc/70/48/15/1173704815.db2.gz CTMDKKJGEGIKFI-GDBMZVCRSA-N 2 0 281.444 1.709 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CNC[C@@H]1CCC[NH2+]C1 ZINC000563427556 316307716 /nfs/dbraw/zinc/30/77/16/316307716.db2.gz PTKUPBJPRLTMNA-CQSZACIVSA-N 2 0 285.395 1.665 10 0 CDAERP C[NH+]1CCN(C[C@H](O)C[NH2+]CCCC2CCCCC2)CC1 ZINC000566055845 316462895 /nfs/dbraw/zinc/46/28/95/316462895.db2.gz AMUOIDFGEKPCMU-QGZVFWFLSA-N 2 0 297.487 1.545 10 0 CDAERP C[NH+](C)C[C@@H]1CCN(C(=O)[C@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000576277756 317109057 /nfs/dbraw/zinc/10/90/57/317109057.db2.gz QTSWPUNZCDGJMX-SWLSCSKDSA-N 2 0 293.386 1.278 10 0 CDAERP CN(CCC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)c1cc[nH+]cc1 ZINC000576321916 317115790 /nfs/dbraw/zinc/11/57/90/317115790.db2.gz QILRWZNTJHGUDU-DZGCQCFKSA-N 2 0 288.395 1.070 10 0 CDAERP COc1ccc([C@@H](C[NH3+])CN2CCC3(CC[NH2+]3)CC2)cc1 ZINC000577170500 317277491 /nfs/dbraw/zinc/27/74/91/317277491.db2.gz BYHFHQCSCBPTFD-HNNXBMFYSA-N 2 0 289.423 1.565 10 0 CDAERP Cc1nnc(CN(C)CCCn2ccnc2)n1C1CC1 ZINC000181069711 323227139 /nfs/dbraw/zinc/22/71/39/323227139.db2.gz RWTMNVMMNSTTGK-UHFFFAOYSA-N 2 0 274.372 1.640 10 0 CDAERP C[C@H](CCNC(=O)NC[C@@H]1CCC[N@@H+]1C)[NH+]1CCCCC1 ZINC000184963501 323378862 /nfs/dbraw/zinc/37/88/62/323378862.db2.gz JBZMKDKYWVEILX-CABCVRRESA-N 2 0 296.459 1.644 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)c2ccccc2CC[NH3+])CC[N@@H+]1C ZINC000582972599 325081020 /nfs/dbraw/zinc/08/10/20/325081020.db2.gz UZQLXNHTHWVEQR-HIFRSBDPSA-N 2 0 289.423 1.743 10 0 CDAERP [NH3+]CC12CCC(CC1)CN2C(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000583329457 325153886 /nfs/dbraw/zinc/15/38/86/325153886.db2.gz YJMKEEWLLDZUTO-MNQCNDSGSA-N 2 0 299.418 1.431 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](c3ncc[nH]3)C2)C1 ZINC000583702315 325226507 /nfs/dbraw/zinc/22/65/07/325226507.db2.gz PUBHSWNFBBQCSF-OLZOCXBDSA-N 2 0 276.384 1.458 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000583872025 325257123 /nfs/dbraw/zinc/25/71/23/325257123.db2.gz MFJRYRBKZWJIHY-NEPJUHHUSA-N 3 0 273.384 1.791 10 0 CDAERP CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CCCC[NH+](C)C)C1 ZINC001731559759 1159304975 /nfs/dbraw/zinc/30/49/75/1159304975.db2.gz RMTJFMOJCDOAML-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP CCN(CC[NH2+]CC1CCCC1)C(=O)CCn1ccnc1 ZINC001268468489 1159950960 /nfs/dbraw/zinc/95/09/60/1159950960.db2.gz NWRPVAQXSMIEBL-UHFFFAOYSA-N 2 0 292.427 1.902 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCF ZINC001270112275 1160089827 /nfs/dbraw/zinc/08/98/27/1160089827.db2.gz DIINMBNGYKQQME-STQMWFEESA-N 2 0 271.380 1.021 10 0 CDAERP CCC[NH2+]CCC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001700681635 1177072768 /nfs/dbraw/zinc/07/27/68/1177072768.db2.gz NQEQEKQGXSABFR-UONOGXRCSA-N 2 0 269.433 1.613 10 0 CDAERP CC[NH+](CC)C1CCN(CCC[NH2+]C2CC2)CC1 ZINC000384597543 1160331674 /nfs/dbraw/zinc/33/16/74/1160331674.db2.gz WMYCATDCLBBXSQ-UHFFFAOYSA-N 2 0 253.434 1.935 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CCC1CC1 ZINC001732956398 1160341811 /nfs/dbraw/zinc/34/18/11/1160341811.db2.gz HANPNNTVWBHCIX-UKRRQHHQSA-N 2 0 281.444 1.755 10 0 CDAERP COC[C@@H](C)C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000668440981 482438699 /nfs/dbraw/zinc/43/86/99/482438699.db2.gz SNCQBXOBHSUNHQ-AWEZNQCLSA-N 2 0 284.444 1.750 10 0 CDAERP OC[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CCC1 ZINC000668456269 482444572 /nfs/dbraw/zinc/44/45/72/482444572.db2.gz AARRTYDWJSGKGG-MRXNPFEDSA-N 2 0 275.396 1.801 10 0 CDAERP C[C@H]1C[C@H](C[NH+]2CCN(C(=O)CC(C)(C)C)CC2)CC[NH2+]1 ZINC000666619082 482485433 /nfs/dbraw/zinc/48/54/33/482485433.db2.gz VOUQCIRCQQXIMA-LSDHHAIUSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000654381764 482564635 /nfs/dbraw/zinc/56/46/35/482564635.db2.gz PIBSQYUSIRWPDS-TUVASFSCSA-N 2 0 294.443 1.253 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C1CCC([NH3+])CC1 ZINC000092629541 482630016 /nfs/dbraw/zinc/63/00/16/482630016.db2.gz GBDHGTXXYGDPPD-RUXDESIVSA-N 2 0 267.417 1.447 10 0 CDAERP C[C@H](NC(=O)NC/C=C/C[NH3+])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000669556028 482674647 /nfs/dbraw/zinc/67/46/47/482674647.db2.gz VHMPJORCGFALQR-SZZVUECUSA-N 2 0 294.443 1.454 10 0 CDAERP Cc1cncc(CC[NH2+]C2CC[NH+](C(C)C)CC2)n1 ZINC000402828136 482780125 /nfs/dbraw/zinc/78/01/25/482780125.db2.gz KDTYQRJEVPCDDZ-UHFFFAOYSA-N 2 0 262.401 1.790 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)C(F)(F)F)[C@@H]2CCC[C@H]21 ZINC000671762338 482783946 /nfs/dbraw/zinc/78/39/46/482783946.db2.gz OAEQJFBWTREDNH-UKKRHICBSA-N 2 0 266.307 1.372 10 0 CDAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C1CCC([NH3+])CC1 ZINC000258749162 482799888 /nfs/dbraw/zinc/79/98/88/482799888.db2.gz JGVOZQKTMTUANT-HSBZDZAISA-N 2 0 267.417 1.304 10 0 CDAERP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000193639861 482972454 /nfs/dbraw/zinc/97/24/54/482972454.db2.gz BJGRUIGCTFXELC-GLQYFDAESA-N 2 0 273.380 1.130 10 0 CDAERP Cc1ccc([C@@H](CNC(=O)NC/C=C/C[NH3+])[NH+](C)C)cc1 ZINC000669418905 483021594 /nfs/dbraw/zinc/02/15/94/483021594.db2.gz BSSWPDAMKRNASH-MBVDDHJVSA-N 2 0 290.411 1.412 10 0 CDAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1CCC([NH3+])CC1 ZINC000251690880 483075616 /nfs/dbraw/zinc/07/56/16/483075616.db2.gz IICFWTFQPUHRAM-ABXWRUBCSA-N 2 0 265.401 1.199 10 0 CDAERP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089448917 483077175 /nfs/dbraw/zinc/07/71/75/483077175.db2.gz PBTMLZLIESYZAK-VXGBXAGGSA-N 2 0 255.406 1.065 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000669433058 483092339 /nfs/dbraw/zinc/09/23/39/483092339.db2.gz YVOKQOPGSAEKMA-UHFFFAOYSA-N 2 0 294.443 1.327 10 0 CDAERP Cc1nc(C)c(C[N@@H+](C)CCCN(C)CC[NH+](C)C)o1 ZINC000685585842 483177015 /nfs/dbraw/zinc/17/70/15/483177015.db2.gz ZQJQMCWVIKGPDB-UHFFFAOYSA-N 2 0 282.432 1.607 10 0 CDAERP C[C@H]([NH2+][C@H]1CCc2nc[nH]c2C1)C1CC[NH+](C)CC1 ZINC000685662422 483204620 /nfs/dbraw/zinc/20/46/20/483204620.db2.gz RAWFHPQQNUUWLH-AAEUAGOBSA-N 2 0 262.401 1.587 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@H]1CCc2nc(C)[nH]c2C1 ZINC000220583744 483254191 /nfs/dbraw/zinc/25/41/91/483254191.db2.gz AYJKALMZADNJLL-ZDUSSCGKSA-N 2 0 292.427 1.671 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000136344406 483393825 /nfs/dbraw/zinc/39/38/25/483393825.db2.gz XUZCFAOPTRXEMJ-CVEARBPZSA-N 2 0 289.423 1.751 10 0 CDAERP CC[NH2+]CC1(CN2CCC[C@H]2C[NH+](C)C)CCOCC1 ZINC000061653713 519913280 /nfs/dbraw/zinc/91/32/80/519913280.db2.gz ICLCJWUQRDHRJC-HNNXBMFYSA-N 2 0 283.460 1.419 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)[C@@H]2CCSC2)O1 ZINC000052453580 519927776 /nfs/dbraw/zinc/92/77/76/519927776.db2.gz PSHJIQRUZSVRQN-HZSPNIEDSA-N 2 0 272.458 1.971 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@H+](CCOC)[C@@H](C)CC)O1 ZINC000052547424 519977744 /nfs/dbraw/zinc/97/77/44/519977744.db2.gz FHTSGHHPTIKZGD-ZNMIVQPWSA-N 2 0 272.433 1.890 10 0 CDAERP CC[NH2+]Cc1cc(CN2CCC[C@@H]2C[NH+](C)C)on1 ZINC000061654424 519987249 /nfs/dbraw/zinc/98/72/49/519987249.db2.gz CQPGGBWOIKMPGB-CYBMUJFWSA-N 2 0 266.389 1.310 10 0 CDAERP CC[NH2+][C@](C)(CCCN1CC[NH+]([C@@H](C)CC)CC1)C(N)=O ZINC000055070269 520227637 /nfs/dbraw/zinc/22/76/37/520227637.db2.gz LCFWPMBJFPQCGI-GOEBONIOSA-N 2 0 298.475 1.036 10 0 CDAERP C[NH+]1CCC(CCNC(=O)[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000157228512 1178198893 /nfs/dbraw/zinc/19/88/93/1178198893.db2.gz UGLRBSGWNZEFQA-UONOGXRCSA-N 2 0 267.417 1.352 10 0 CDAERP CCC[C@]1(C(=O)NC[C@H](CC(C)C)[NH+](C)C)CC[NH2+]C1 ZINC000062900000 521298435 /nfs/dbraw/zinc/29/84/35/521298435.db2.gz LCCTWNFKFDLBJR-HOCLYGCPSA-N 2 0 283.460 1.859 10 0 CDAERP C[NH+](C)CCN1CC[NH+](CCC[C@H]2CCCC[NH2+]2)CC1 ZINC000061652520 521765120 /nfs/dbraw/zinc/76/51/20/521765120.db2.gz FJWUBSWMIRZVNN-MRXNPFEDSA-N 3 0 282.476 1.088 10 0 CDAERP CC[NH2+][C@@H](CC)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001715075865 1179541325 /nfs/dbraw/zinc/54/13/25/1179541325.db2.gz PPQOGBIWXFATJA-KGLIPLIRSA-N 2 0 269.433 1.755 10 0 CDAERP C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)N1CCC[NH2+]CC1 ZINC000061275044 518389823 /nfs/dbraw/zinc/38/98/23/518389823.db2.gz CQWWMHMEPAZLRR-JKSUJKDBSA-N 2 0 265.445 1.794 10 0 CDAERP C(CN1CC[C@H]([NH+]2CCCC2)C1)[NH2+]C(C1CC1)C1CC1 ZINC000062974472 518390644 /nfs/dbraw/zinc/39/06/44/518390644.db2.gz RDMJTAYLOBVXBK-INIZCTEOSA-N 2 0 277.456 1.935 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000227868680 519338598 /nfs/dbraw/zinc/33/85/98/519338598.db2.gz IANBBZYMADRHFX-YNEHKIRRSA-N 2 0 255.406 1.206 10 0 CDAERP CC(C)CC[C@@H](C)[NH2+]CCN1CCN(CC[NH+](C)C)CC1 ZINC000061655287 519682353 /nfs/dbraw/zinc/68/23/53/519682353.db2.gz CYOWESNHWXQPQO-QGZVFWFLSA-N 2 0 298.519 1.580 10 0 CDAERP CC(C)C[N@H+](CCN(C)C)C[C@H]1CC[C@H](C[NH3+])O1 ZINC000052503351 519716095 /nfs/dbraw/zinc/71/60/95/519716095.db2.gz GEPRYUSEGRVPJY-ZIAGYGMSSA-N 2 0 257.422 1.012 10 0 CDAERP CC(C)CN(CC[NH+](C)C)Cc1cc[nH+]c(NN)c1 ZINC000052719047 519716814 /nfs/dbraw/zinc/71/68/14/519716814.db2.gz RCRKFBPLQVPYNI-UHFFFAOYSA-N 2 0 265.405 1.387 10 0 CDAERP CC(C)C[NH+]1CCN([C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000055077559 519728335 /nfs/dbraw/zinc/72/83/35/519728335.db2.gz YQTYDMZFARSYCE-GJZGRUSLSA-N 2 0 253.434 1.778 10 0 CDAERP CC(C)C[NH2+]Cc1cn(CC[N@H+](C)C2CC2)nn1 ZINC000052445416 519748157 /nfs/dbraw/zinc/74/81/57/519748157.db2.gz RZMVLEWWAXDUNS-UHFFFAOYSA-N 2 0 251.378 1.118 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000049220778 519793183 /nfs/dbraw/zinc/79/31/83/519793183.db2.gz PAMDNOJPOJGEOA-HUUCEWRRSA-N 2 0 277.412 1.779 10 0 CDAERP CCC1(C[NH2+][C@@H](CCC[NH3+])COC)CCOCC1 ZINC000310903949 519842833 /nfs/dbraw/zinc/84/28/33/519842833.db2.gz BOKFYAFUOFJDHN-ZDUSSCGKSA-N 2 0 258.406 1.537 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@H]2[C@H](C)CCC[C@@H]2[NH3+])CC1 ZINC000055141544 519846149 /nfs/dbraw/zinc/84/61/49/519846149.db2.gz NGBGYSALRKPLHX-SNPRPXQTSA-N 2 0 281.444 1.741 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000061291837 519905429 /nfs/dbraw/zinc/90/54/29/519905429.db2.gz ZTHYANDGGZZEJU-OAHLLOKOSA-N 2 0 289.423 1.765 10 0 CDAERP CC[NH2+]CCC(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000061287144 519916234 /nfs/dbraw/zinc/91/62/34/519916234.db2.gz JBORGUWFPZTACX-CYBMUJFWSA-N 2 0 255.406 1.367 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000061267213 519936181 /nfs/dbraw/zinc/93/61/81/519936181.db2.gz VFDYHKBRAIDLMC-ZIAGYGMSSA-N 2 0 269.433 1.469 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](CC)[C@@H](C)COC)O1 ZINC000052505023 519950812 /nfs/dbraw/zinc/95/08/12/519950812.db2.gz XGEWYPJYTMSUIC-IHRRRGAJSA-N 2 0 258.406 1.500 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@H](COCC[NH+](CC)CC)O1 ZINC000052672000 519955106 /nfs/dbraw/zinc/95/51/06/519955106.db2.gz LNHMTVLZWSSQIY-UONOGXRCSA-N 2 0 258.406 1.502 10 0 CDAERP CCOCC[NH2+]CCN1CC[NH+]([C@@H](C)CC)CC1 ZINC000055075450 519965813 /nfs/dbraw/zinc/96/58/13/519965813.db2.gz BWUWBMZTZVHNHS-AWEZNQCLSA-N 2 0 257.422 1.029 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2ccccn2)O1 ZINC000052478882 519977029 /nfs/dbraw/zinc/97/70/29/519977029.db2.gz HPLREGQRDXAHNQ-CABCVRRESA-N 2 0 263.385 1.671 10 0 CDAERP CCC[NH2+][C@H]1CCOC[C@H]1N1CCC[C@@H]1C[NH+](C)C ZINC000061643771 520096545 /nfs/dbraw/zinc/09/65/45/520096545.db2.gz BXPWDLLYLOBTSH-QLFBSQMISA-N 2 0 269.433 1.170 10 0 CDAERP CC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1C[NH+](CCO)CCO ZINC000054560099 520219814 /nfs/dbraw/zinc/21/98/14/520219814.db2.gz UOLVGMNVGFXYMA-XHSDSOJGSA-N 2 0 286.460 1.323 10 0 CDAERP CCN[C@](C)(C[C@H](C)[N@H+](C)C[C@@H]1CC[NH+](C)C1)C(=O)OC ZINC000068646533 520238789 /nfs/dbraw/zinc/23/87/89/520238789.db2.gz BEQOHEMGQMPMSX-SQWLQELKSA-N 2 0 299.459 1.190 10 0 CDAERP CCCC[N@H+](CCO)CC1(C[NH2+]CCC)CCOCC1 ZINC000052182680 520522270 /nfs/dbraw/zinc/52/22/70/520522270.db2.gz KPTZJWSWTTUENJ-UHFFFAOYSA-N 2 0 286.460 1.877 10 0 CDAERP CC[NH+](CC)CCCNC(=O)C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000055123427 520611503 /nfs/dbraw/zinc/61/15/03/520611503.db2.gz VWNZFOCIHSLUPW-ZIAGYGMSSA-N 2 0 269.433 1.742 10 0 CDAERP CC[NH+](CC)CCn1cc(NC(=O)CCC(C)(C)[NH3+])cn1 ZINC000070087390 520713495 /nfs/dbraw/zinc/71/34/95/520713495.db2.gz WODVJUOCEDYTKM-UHFFFAOYSA-N 2 0 295.431 1.681 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000061645141 521827484 /nfs/dbraw/zinc/82/74/84/521827484.db2.gz BRYJAQCMWYIBMO-KBPBESRZSA-N 2 0 267.417 1.461 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1[C@@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000061643006 521871001 /nfs/dbraw/zinc/87/10/01/521871001.db2.gz SBAXSZWJNYQLDY-KGLIPLIRSA-N 2 0 291.395 1.441 10 0 CDAERP C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H]2CN(C)C)c1 ZINC000061654444 522126714 /nfs/dbraw/zinc/12/67/14/522126714.db2.gz IYALQTSXIUKOBO-INIZCTEOSA-N 2 0 261.413 1.932 10 0 CDAERP CC[C@H](CC[NH3+])[N@@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000050539207 522126876 /nfs/dbraw/zinc/12/68/76/522126876.db2.gz VUJAKWWDDPGVJI-OAHLLOKOSA-N 2 0 279.432 1.055 10 0 CDAERP CC[C@@H](C)[NH+]1CCN([C@@H](C[NH3+])c2ccccn2)CC1 ZINC000055063677 522129734 /nfs/dbraw/zinc/12/97/34/522129734.db2.gz MSJDPBDCZSEPJF-HIFRSBDPSA-N 2 0 262.401 1.498 10 0 CDAERP CC[C@@H](C)[NH+]1CCN([C@H]2CCCC[C@@H]2[NH2+]C)CC1 ZINC000055065808 522131390 /nfs/dbraw/zinc/13/13/90/522131390.db2.gz BMQWRFKYWIUAFH-ILXRZTDVSA-N 2 0 253.434 1.933 10 0 CDAERP C[NH2+]Cc1cn(CC[N@H+](CC2CC2)C(C)C)nn1 ZINC000052345782 522143109 /nfs/dbraw/zinc/14/31/09/522143109.db2.gz MKTAAJIHEBZWKZ-UHFFFAOYSA-N 2 0 251.378 1.118 10 0 CDAERP C[NH2+]Cc1cn(CC[N@H+](C)C2CCCCC2)nn1 ZINC000052419325 522143700 /nfs/dbraw/zinc/14/37/00/522143700.db2.gz ZBGJLALJCHVDRX-UHFFFAOYSA-N 2 0 251.378 1.262 10 0 CDAERP CC[C@@H](C)NC(=O)CC[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000052205699 522152652 /nfs/dbraw/zinc/15/26/52/522152652.db2.gz PBIYRXDNBXQHNA-ZIAGYGMSSA-N 2 0 269.433 1.755 10 0 CDAERP C[NH+](CCCCC[N@@H+](C)Cc1cc[nH]n1)Cc1cc[nH]n1 ZINC000354397169 522728694 /nfs/dbraw/zinc/72/86/94/522728694.db2.gz RXPRIKPSBLHMGS-UHFFFAOYSA-N 2 0 290.415 1.867 10 0 CDAERP COC(=O)CC[N@@H+]1CCC[C@@H](C[NH2+]CC(C)C)C1 ZINC000069319506 523072506 /nfs/dbraw/zinc/07/25/06/523072506.db2.gz FGBGZWGLDALKCT-ZDUSSCGKSA-N 2 0 256.390 1.507 10 0 CDAERP COC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccnc(C[NH3+])c1 ZINC000068750654 523344549 /nfs/dbraw/zinc/34/45/49/523344549.db2.gz CBYNYGNMWVNBPG-CQSZACIVSA-N 2 0 277.368 1.458 10 0 CDAERP CC[C@](C)(C[NH2+]C)C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000063122086 523464405 /nfs/dbraw/zinc/46/44/05/523464405.db2.gz BWQMECHKFGYRRG-OAHLLOKOSA-N 3 0 255.450 1.896 10 0 CDAERP C[N@@H+]1CCCN(c2cc(Cl)ccc2C[NH3+])CC1 ZINC000062786758 523813086 /nfs/dbraw/zinc/81/30/86/523813086.db2.gz DNWDIEBHRWYPMC-UHFFFAOYSA-N 2 0 253.777 1.941 10 0 CDAERP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCCSC2)CC1 ZINC000061572272 523885411 /nfs/dbraw/zinc/88/54/11/523885411.db2.gz CZUDZPKJFIXSJE-ZDUSSCGKSA-N 2 0 271.474 1.498 10 0 CDAERP COC(=O)[C@H](CC[NH+]1CCC(C[NH+](C)C)CC1)NC(C)C ZINC000062460609 523898719 /nfs/dbraw/zinc/89/87/19/523898719.db2.gz UUAOPEXEAUIHDH-HNNXBMFYSA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@H](C)[NH+]1CCN(c2nc(C)ccc2C(N)=[NH2+])CC1 ZINC000055067222 523962206 /nfs/dbraw/zinc/96/22/06/523962206.db2.gz SUIMJUCBUXYWCD-LBPRGKRZSA-N 2 0 275.400 1.595 10 0 CDAERP CN(C)C(=O)[C@H]1CCC[N@@H+]1[C@@H](CC[NH3+])c1ccccc1 ZINC000055015962 524016492 /nfs/dbraw/zinc/01/64/92/524016492.db2.gz ZLEJSRJTLMLMOZ-LSDHHAIUSA-N 2 0 275.396 1.629 10 0 CDAERP C[NH+](C)CCCNC(=O)[C@@H]1CCC[C@H](CC[NH3+])C1 ZINC000055145848 524056150 /nfs/dbraw/zinc/05/61/50/524056150.db2.gz DUJWVCGLAMEUOA-CHWSQXEVSA-N 2 0 255.406 1.210 10 0 CDAERP C[C@H](CCC[NH3+])[NH+]1CCN(c2nccs2)CC1 ZINC000052417679 524139048 /nfs/dbraw/zinc/13/90/48/524139048.db2.gz TUJCAQHVHASNCS-LLVKDONJSA-N 2 0 254.403 1.393 10 0 CDAERP C[C@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)NCC(C)(C)C[NH+](C)C ZINC000055125309 524203594 /nfs/dbraw/zinc/20/35/94/524203594.db2.gz RPVXPOSZJICGSA-RWMBFGLXSA-N 2 0 269.433 1.454 10 0 CDAERP C[C@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000055132643 524204231 /nfs/dbraw/zinc/20/42/31/524204231.db2.gz KCLYWZDBWFZAGN-CWRNSKLLSA-N 2 0 293.455 1.837 10 0 CDAERP C[C@@H]1CC[C@@H](C)[C@H]([N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000068632496 524579750 /nfs/dbraw/zinc/57/97/50/524579750.db2.gz MKAPEQLIOLKFBQ-APIJFGDWSA-N 2 0 281.444 1.598 10 0 CDAERP C[C@@H](C[NH+]1CCCC1)NC(=O)C1([NH3+])CCCCC1 ZINC000049184849 524590127 /nfs/dbraw/zinc/59/01/27/524590127.db2.gz GWKDGGUQAKWZHF-LBPRGKRZSA-N 2 0 253.390 1.249 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000054629737 524602838 /nfs/dbraw/zinc/60/28/38/524602838.db2.gz JIVQUWBGDNIRNP-AVOUXACISA-N 2 0 251.418 1.815 10 0 CDAERP C[C@H](C[C@](C)([NH3+])C(=O)[O-])[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000068644117 524652763 /nfs/dbraw/zinc/65/27/63/524652763.db2.gz JNLGSKVXLMQCGF-CJNGLKHVSA-N 2 0 297.443 1.375 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCC[NH+]2CCCCCC2)CC[NH2+]1 ZINC000235689674 524769921 /nfs/dbraw/zinc/76/99/21/524769921.db2.gz ACSJBVOFUSFAQS-KBPBESRZSA-N 2 0 267.417 1.367 10 0 CDAERP Cc1cc(F)ccc1[C@@H](C[NH3+])N1CC[NH+](C2CC2)CC1 ZINC000050578938 525002542 /nfs/dbraw/zinc/00/25/42/525002542.db2.gz CGAJHYCFICWXIH-MRXNPFEDSA-N 2 0 277.387 1.914 10 0 CDAERP C[C@@H]([NH3+])[C@@H](c1ccncc1)N1CCC[C@@H]1C[NH+](C)C ZINC000061642242 525005562 /nfs/dbraw/zinc/00/55/62/525005562.db2.gz RDUZUUHHOCIBPE-YUELXQCFSA-N 2 0 262.401 1.496 10 0 CDAERP C[C@@H]1[C@@H]([NH3+])CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC000055138647 525664058 /nfs/dbraw/zinc/66/40/58/525664058.db2.gz LRODDWSDIBOXLF-XUXIUFHCSA-N 2 0 267.417 1.350 10 0 CDAERP C[C@@H]1[C@@H]([NH3+])CCC[C@@H]1C(=O)NCCCC[NH+](C)C ZINC000055138956 525664138 /nfs/dbraw/zinc/66/41/38/525664138.db2.gz HMNKULDCIGLOMX-AVGNSLFASA-N 2 0 255.406 1.208 10 0 CDAERP Cc1ccc(C(=O)NCC[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000049332522 526166994 /nfs/dbraw/zinc/16/69/94/526166994.db2.gz OOMDQRUNAIBFFZ-UHFFFAOYSA-N 2 0 289.423 1.800 10 0 CDAERP C[C@H]1CCCC[C@H]1[NH2+]CCN1CCN(CC[NH+](C)C)CC1 ZINC000061655395 526262418 /nfs/dbraw/zinc/26/24/18/526262418.db2.gz OVHRLMLMEZFTRC-DLBZAZTESA-N 2 0 296.503 1.334 10 0 CDAERP O=C(CC[C@@H]1CCCC[NH2+]1)NCCC[NH+]1CCCCC1 ZINC000050941354 526547564 /nfs/dbraw/zinc/54/75/64/526547564.db2.gz GHRCIQYTEMDATG-HNNXBMFYSA-N 2 0 281.444 1.901 10 0 CDAERP [NH3+]CC[C@H](N1CCC[N@@H+]2CCC[C@@H]2C1)C(F)(F)F ZINC000062940177 527192956 /nfs/dbraw/zinc/19/29/56/527192956.db2.gz VWXIQWMUSNDVNN-MNOVXSKESA-N 2 0 265.323 1.436 10 0 CDAERP [NH3+]C[C@@H]1CC[C@@H](CN2CC[NH+](C3CCCC3)CC2)O1 ZINC000052573513 527218295 /nfs/dbraw/zinc/21/82/95/527218295.db2.gz OUNXTZHPBZBXEX-GJZGRUSLSA-N 2 0 267.417 1.053 10 0 CDAERP CC(C)[C@@H](C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)[NH+](C)C ZINC000261668141 535132053 /nfs/dbraw/zinc/13/20/53/535132053.db2.gz COHSHVRIKRRQRL-MJBXVCDLSA-N 2 0 267.417 1.031 10 0 CDAERP CCC[NH2+]CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000261671698 535170272 /nfs/dbraw/zinc/17/02/72/535170272.db2.gz PIISRGHGDNPZBG-XQQFMLRXSA-N 2 0 253.390 1.023 10 0 CDAERP CC[NH+]1CCC(NC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000236855817 535471944 /nfs/dbraw/zinc/47/19/44/535471944.db2.gz OSQHVZJIMQYTBU-HUUCEWRRSA-N 2 0 281.444 1.885 10 0 CDAERP CN(C(=O)CC[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccccc1 ZINC000193596969 535971408 /nfs/dbraw/zinc/97/14/08/535971408.db2.gz APYDODGFSYQAFQ-GASCZTMLSA-N 2 0 287.407 1.533 10 0 CDAERP COCCC[N@H+](C)CCN[C@@H](C)c1c[nH+]ccc1N ZINC000422775492 536508304 /nfs/dbraw/zinc/50/83/04/536508304.db2.gz AMHCZOBOWWMPGK-LBPRGKRZSA-N 2 0 266.389 1.113 10 0 CDAERP COCc1ccc(C[NH2+][C@@H](CCC[NH3+])COC)cc1 ZINC000422810086 536780286 /nfs/dbraw/zinc/78/02/86/536780286.db2.gz RFFSWDMFBPJXDO-HNNXBMFYSA-N 2 0 266.385 1.677 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](CN2C[C@@H](C)CC2=O)CC1 ZINC000738070795 576036334 /nfs/dbraw/zinc/03/63/34/576036334.db2.gz LAMCFIUHWBFUKD-AWEZNQCLSA-N 2 0 281.444 1.866 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)CCF ZINC001689806127 1175264554 /nfs/dbraw/zinc/26/45/54/1175264554.db2.gz YWWUNSGIZAHCRA-CYBMUJFWSA-N 2 0 273.396 1.268 10 0 CDAERP CC[C@@H](C)C[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001690014932 1175345294 /nfs/dbraw/zinc/34/52/94/1175345294.db2.gz VDXBMRBIZCTVKG-CABCVRRESA-N 2 0 295.471 1.955 10 0 CDAERP [NH3+][C@H]1C[C@@H]([NH2+]CC2(CCO)CCCC2)C12CCC2 ZINC000925526043 617448607 /nfs/dbraw/zinc/44/86/07/617448607.db2.gz HDSVREPQQKDZGD-QWHCGFSZSA-N 2 0 252.402 1.789 10 0 CDAERP C[C@@H]1CCC[N@H+](CCN[C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925550988 617499023 /nfs/dbraw/zinc/49/90/23/617499023.db2.gz OTMYYLRFFJAETG-HZSPNIEDSA-N 2 0 251.418 1.578 10 0 CDAERP CNC(=O)C(C)(C)C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925606310 617548587 /nfs/dbraw/zinc/54/85/87/617548587.db2.gz IWCJSIKMGINZKJ-KGLIPLIRSA-N 2 0 281.444 1.517 10 0 CDAERP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925608562 617553327 /nfs/dbraw/zinc/55/33/27/617553327.db2.gz FEEQHLPRYVIGQJ-JKSUJKDBSA-N 3 0 296.503 1.510 10 0 CDAERP C[C@H](CCO)C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925621779 617568252 /nfs/dbraw/zinc/56/82/52/617568252.db2.gz GFDMHMXFRUNSQD-BPLDGKMQSA-N 2 0 254.418 1.763 10 0 CDAERP CCNC(=O)C1(CN[C@H]2CC[NH2+]C23CCCC3)CCC1 ZINC000925649308 617592701 /nfs/dbraw/zinc/59/27/01/617592701.db2.gz DBJWCJIRMFASKR-ZDUSSCGKSA-N 2 0 279.428 1.557 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCN2CC=CCC2)C1 ZINC000925662820 617608618 /nfs/dbraw/zinc/60/86/18/617608618.db2.gz LRTALDPNQNZIIN-KBPBESRZSA-N 2 0 251.418 1.744 10 0 CDAERP CC[NH+](CC)CCCN1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931315658 617711001 /nfs/dbraw/zinc/71/10/01/617711001.db2.gz YWMBBDLWHXVRBP-HOTGVXAUSA-N 2 0 267.461 1.992 10 0 CDAERP COC[C@@H]([NH2+][C@H]1CNCC2(CCOCC2)C1)C1CCCC1 ZINC000925794017 617722523 /nfs/dbraw/zinc/72/25/23/617722523.db2.gz TZDINYJWGHUQPO-HZPDHXFCSA-N 2 0 296.455 1.940 10 0 CDAERP CCC([NH3+])(CC)CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925699765 617740965 /nfs/dbraw/zinc/74/09/65/617740965.db2.gz QMPVNZKWCJADLW-AGIUHOORSA-N 2 0 253.434 1.870 10 0 CDAERP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1cccnc1Cl ZINC000925809025 617750908 /nfs/dbraw/zinc/75/09/08/617750908.db2.gz HFDUCLYRRNNXJV-NSHDSACASA-N 2 0 282.819 1.809 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@@H]2CCc3cc(F)ccc32)CC1 ZINC000925809008 617751238 /nfs/dbraw/zinc/75/12/38/617751238.db2.gz GQPJJKUKFBJJFF-MRXNPFEDSA-N 2 0 277.387 1.826 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1c[nH]c(=O)c2ccccc12 ZINC000925812268 617756938 /nfs/dbraw/zinc/75/69/38/617756938.db2.gz KUZOHDAYHMINHI-ZDUSSCGKSA-N 2 0 289.379 1.784 10 0 CDAERP C[C@@H](C[NH+]1CCC(C)CC1)N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925708200 617797380 /nfs/dbraw/zinc/79/73/80/617797380.db2.gz QTWAELQMPUZXGD-ZNMIVQPWSA-N 2 0 265.445 1.966 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC000925826360 617818049 /nfs/dbraw/zinc/81/80/49/617818049.db2.gz NJMXUVAXLWZRJU-KBPBESRZSA-N 2 0 282.428 1.415 10 0 CDAERP NC(=O)[C@H]1C[C@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925718422 617839661 /nfs/dbraw/zinc/83/96/61/617839661.db2.gz INOVMNFMWYOVQF-MGPQQGTHSA-N 2 0 261.369 1.320 10 0 CDAERP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000925832187 617853614 /nfs/dbraw/zinc/85/36/14/617853614.db2.gz QZZQNAAUOMQGKX-SBJFKYEJSA-N 2 0 250.386 1.555 10 0 CDAERP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925840326 617871250 /nfs/dbraw/zinc/87/12/50/617871250.db2.gz VDKYIHLDQHEIKC-AALSBFMBSA-N 3 0 263.429 1.496 10 0 CDAERP CC1(C)C[C@@H]([NH2+]CC2(C(N)=O)CCCC2)C[C@@H]([NH3+])C1 ZINC000925506145 618179446 /nfs/dbraw/zinc/17/94/46/618179446.db2.gz XUGRSDKRQQCZFG-NEPJUHHUSA-N 2 0 267.417 1.528 10 0 CDAERP C[C@H](CN1CCCC1=O)[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925506424 618186478 /nfs/dbraw/zinc/18/64/78/618186478.db2.gz RBXPFHKMYVTFFU-UXOAXIEHSA-N 2 0 279.428 1.364 10 0 CDAERP CC(C)COC[C@H](O)C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000923426426 618333757 /nfs/dbraw/zinc/33/37/57/618333757.db2.gz DKORQQLREIWJHG-CVEARBPZSA-N 2 0 284.444 1.486 10 0 CDAERP O[C@H](CN1CCCC[C@]2(CC[NH2+]C2)C1)CC(F)(F)F ZINC000923427477 618336053 /nfs/dbraw/zinc/33/60/53/618336053.db2.gz JWZZZRPMBPYXLM-NWDGAFQWSA-N 2 0 280.334 1.765 10 0 CDAERP CC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)OCCCO1 ZINC000817926569 618491036 /nfs/dbraw/zinc/49/10/36/618491036.db2.gz NGYUHKPRQWHYHB-MGPQQGTHSA-N 2 0 268.401 1.650 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1COCC1(C)C ZINC000895238402 619478777 /nfs/dbraw/zinc/47/87/77/619478777.db2.gz XNJJTQVEJUFSHF-KBPBESRZSA-N 2 0 271.449 1.273 10 0 CDAERP Cc1ncoc1C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000895238443 619478906 /nfs/dbraw/zinc/47/89/06/619478906.db2.gz YLCFXLHIOGEACD-LBPRGKRZSA-N 2 0 268.405 1.345 10 0 CDAERP CO[C@@]1(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)CCOC1 ZINC000895557461 619726402 /nfs/dbraw/zinc/72/64/02/619726402.db2.gz QYEBDFWUTVMFCL-GDBMZVCRSA-N 2 0 291.395 1.398 10 0 CDAERP CN(C(=O)C[NH2+]C1[C@@H]2CC[C@H]1C[N@@H+](C)C2)C1CCCCC1 ZINC000925211749 620559013 /nfs/dbraw/zinc/55/90/13/620559013.db2.gz AYOSBJNSMSQVKG-VMZNBEPHSA-N 2 0 293.455 1.707 10 0 CDAERP CC[C@H]1CCN(C(=[NH2+])NCC[N@@H+]2CC[C@@H](C)C2)C1 ZINC000864455903 620923260 /nfs/dbraw/zinc/92/32/60/620923260.db2.gz APQLESGWMLUPLU-OLZOCXBDSA-N 2 0 252.406 1.584 10 0 CDAERP C[C@@H]1[C@H](NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC[N@@H+]1C ZINC000925328812 621564403 /nfs/dbraw/zinc/56/44/03/621564403.db2.gz LDKZOZZFOYMKOD-QLFBSQMISA-N 2 0 294.443 1.349 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CNC(=[NH2+])N[C@@H](C)C2CC2)C1 ZINC000899265040 622129079 /nfs/dbraw/zinc/12/90/79/622129079.db2.gz REFVGJGOKGVYKD-RYUDHWBXSA-N 2 0 252.406 1.629 10 0 CDAERP C[C@H](NC(=[NH2+])NCC[N@@H+]1CCC[C@H](C)C1)C1CC1 ZINC000899266068 622130944 /nfs/dbraw/zinc/13/09/44/622130944.db2.gz PFVAQTCIEJSHFR-RYUDHWBXSA-N 2 0 252.406 1.631 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)C12CC[NH+](CC1)C2 ZINC000900209735 622805197 /nfs/dbraw/zinc/80/51/97/622805197.db2.gz VEKFQHLNPPTKOS-CYBMUJFWSA-N 2 0 265.401 1.073 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)/C=C(\C)CN1CCOCC1 ZINC000900696377 623355903 /nfs/dbraw/zinc/35/59/03/623355903.db2.gz XEXZRGSLOWAXPB-GOFCXVBSSA-N 2 0 297.443 1.111 10 0 CDAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@@H]21 ZINC000901105400 623888422 /nfs/dbraw/zinc/88/84/22/623888422.db2.gz UFWMSJVZMFZXKY-KGLIPLIRSA-N 2 0 277.412 1.025 10 0 CDAERP C1C[C@@H]2[NH2+][C@H]1C[C@H]2[NH2+][C@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000902469613 624863005 /nfs/dbraw/zinc/86/30/05/624863005.db2.gz YQUKXZHSWPABQF-ULXLPNHUSA-N 2 0 250.386 1.674 10 0 CDAERP C[N@H+](C[C@@H](O)COCc1ccccc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903432636 625990413 /nfs/dbraw/zinc/99/04/13/625990413.db2.gz HTYFCLVNFCDKNQ-IXDOHACOSA-N 2 0 292.423 1.623 10 0 CDAERP CO[C@]1(C)C[C@@H]([N@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)C1(C)C ZINC000903441367 625993113 /nfs/dbraw/zinc/99/31/13/625993113.db2.gz PDBXKYDFAGUNDR-QVHKTLOISA-N 2 0 254.418 1.977 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000903474223 626004582 /nfs/dbraw/zinc/00/45/82/626004582.db2.gz JHRREHZUIJELKG-RHYQMDGZSA-N 2 0 279.350 1.301 10 0 CDAERP C(C[C@H]1CCC[NH2+]C1)[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903485017 626007308 /nfs/dbraw/zinc/00/73/08/626007308.db2.gz YJBSSNKIQOBKGZ-KGLIPLIRSA-N 3 0 251.418 1.640 10 0 CDAERP COc1ccc([C@@H](C[NH3+])CN2C[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000903556805 626024847 /nfs/dbraw/zinc/02/48/47/626024847.db2.gz FKFPSTFKWAOUDL-ZFWWWQNUSA-N 2 0 277.412 1.407 10 0 CDAERP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)N1CC[NH2+]CC12CCCCC2 ZINC000903741670 626080083 /nfs/dbraw/zinc/08/00/83/626080083.db2.gz QPUQKUKKLCOPAG-JKSUJKDBSA-N 2 0 293.455 1.363 10 0 CDAERP [NH3+][C@H](CC(F)F)CN1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000903889995 626124121 /nfs/dbraw/zinc/12/41/21/626124121.db2.gz XSSHWEBKCDDNRR-CHWSQXEVSA-N 2 0 275.387 1.919 10 0 CDAERP Cc1c(C[C@H](C[NH3+])CN(C)CC[C@@H]([NH3+])C(C)C)cnn1C ZINC000903874009 626127591 /nfs/dbraw/zinc/12/75/91/626127591.db2.gz QKPQZOFEUBRZSQ-GDBMZVCRSA-N 2 0 295.475 1.151 10 0 CDAERP COCCOC[C@@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903896760 626136480 /nfs/dbraw/zinc/13/64/80/626136480.db2.gz FQSZPYAVCGEXEU-WZYMTQMTSA-N 2 0 282.428 1.502 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)[C@@H](CO)C(C)(C)C)cnn1C ZINC000903900058 626137939 /nfs/dbraw/zinc/13/79/39/626137939.db2.gz ZKKURLBUBQKAQG-ZFWWWQNUSA-N 2 0 296.459 1.185 10 0 CDAERP CC[C@@]1(CO)CCC[N@@H+]1C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903909536 626143725 /nfs/dbraw/zinc/14/37/25/626143725.db2.gz VYNCBHFPYUQKKX-HOCLYGCPSA-N 2 0 294.443 1.083 10 0 CDAERP Cc1c(C[C@H](C[NH3+])CN2C[C@@H](C)OC(C)(C)C2)cnn1C ZINC000903919033 626146745 /nfs/dbraw/zinc/14/67/45/626146745.db2.gz KMNKHFCQAYYLMR-TZMCWYRMSA-N 2 0 294.443 1.345 10 0 CDAERP Cc1ccc(C[NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)s1 ZINC000903922821 626147357 /nfs/dbraw/zinc/14/73/57/626147357.db2.gz FONLGTFZQSKWKJ-GFCCVEGCSA-N 2 0 291.424 1.862 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903978482 626170017 /nfs/dbraw/zinc/17/00/17/626170017.db2.gz GYZZOFWWQMHHNY-ZWBVZUSMSA-N 3 0 251.418 1.352 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903982140 626170636 /nfs/dbraw/zinc/17/06/36/626170636.db2.gz LSXSASYTEOODDH-IVZWLZJFSA-N 2 0 253.312 1.181 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1NC1CC[NH+](Cc2ccncc2)CC1 ZINC000903963846 626171011 /nfs/dbraw/zinc/17/10/11/626171011.db2.gz HLXSGNXBPLNRLZ-CZUORRHYSA-N 2 0 274.412 1.244 10 0 CDAERP COc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc2c1OCO2 ZINC000903964033 626171048 /nfs/dbraw/zinc/17/10/48/626171048.db2.gz FSOCVGUPGCAAFC-PWSUYJOCSA-N 2 0 278.352 1.369 10 0 CDAERP C[C@H](CC(=O)N1CCCCCC1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903968363 626172622 /nfs/dbraw/zinc/17/26/22/626172622.db2.gz UFGJJYIMBPDWAM-KFWWJZLASA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)(/C=C/Cl)[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903987416 626174749 /nfs/dbraw/zinc/17/47/49/626174749.db2.gz GDFCSKYYSFJTCR-MVIFTORASA-N 2 0 283.807 1.823 10 0 CDAERP C[NH+](C)[C@H](CNC(=[NH2+])NC[C@@H]1CCCS1)C1CC1 ZINC000905043142 626382258 /nfs/dbraw/zinc/38/22/58/626382258.db2.gz TUWPWNIWYFGYBN-NWDGAFQWSA-N 2 0 270.446 1.336 10 0 CDAERP CCN(CCC[NH+](CC)CC)C(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000907663642 627772730 /nfs/dbraw/zinc/77/27/30/627772730.db2.gz KKDIIWVPAFLYOT-HOCLYGCPSA-N 2 0 299.459 1.022 10 0 CDAERP CC[C@@H]1C[N@H+](CC)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000909207954 628568389 /nfs/dbraw/zinc/56/83/89/628568389.db2.gz GFOPDANWXHGKHZ-CYBMUJFWSA-N 2 0 265.401 1.025 10 0 CDAERP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912914065 630282037 /nfs/dbraw/zinc/28/20/37/630282037.db2.gz UMEMKHPYFVUNDA-HOTGVXAUSA-N 2 0 291.439 1.700 10 0 CDAERP C[NH+](C)Cc1cccc(C(=O)N2CC[C@@H]([NH+]3CCC3)C2)c1 ZINC000912917442 630286361 /nfs/dbraw/zinc/28/63/61/630286361.db2.gz ZSANWKUORXQTIK-MRXNPFEDSA-N 2 0 287.407 1.668 10 0 CDAERP C[C@H](C(=O)NC12CC[NH+](CC1)C2)[NH+]1[C@H](C)CC[C@H]1C ZINC000913629150 630719180 /nfs/dbraw/zinc/71/91/80/630719180.db2.gz ZAJADPMXJIYUCP-JHJVBQTASA-N 2 0 265.401 1.212 10 0 CDAERP c1cc(N2CC[NH+](C[C@H]3CCC4(COC4)O3)CC2)cc[nH+]1 ZINC000929832817 631494691 /nfs/dbraw/zinc/49/46/91/631494691.db2.gz AEYKFACEYQZAPX-OAHLLOKOSA-N 2 0 289.379 1.152 10 0 CDAERP CC[C@H](C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C)OC ZINC001691316818 1159014286 /nfs/dbraw/zinc/01/42/86/1159014286.db2.gz CZFQYRNVCUCLJA-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CCF)CC[N@@H+]1C ZINC001698825608 1159056847 /nfs/dbraw/zinc/05/68/47/1159056847.db2.gz AFOIXHCAPDYREQ-RWMBFGLXSA-N 2 0 273.396 1.123 10 0 CDAERP CCOCC[N@H+](C)CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001690988683 1158515907 /nfs/dbraw/zinc/51/59/07/1158515907.db2.gz NWVJTYDAPCKWJZ-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[NH2+]C[C@H](NC(=O)C[NH+]1CCC(C)CC1)C1CC1 ZINC001670539682 1158634279 /nfs/dbraw/zinc/63/42/79/1158634279.db2.gz ROKXPTXRHMHAOI-HNNXBMFYSA-N 2 0 281.444 1.613 10 0 CDAERP CC[NH+]1CCC(C)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001484137144 1161255353 /nfs/dbraw/zinc/25/53/53/1161255353.db2.gz VXYBTXRXBYUOFU-OAHLLOKOSA-N 2 0 293.455 1.566 10 0 CDAERP CC[C@H]1C[N@H+](C)CCCN1C(=O)[C@H]1CCN1CC ZINC001634418014 1166498751 /nfs/dbraw/zinc/49/87/51/1166498751.db2.gz RQIRXVUKZBNBER-QWHCGFSZSA-N 2 0 253.390 1.023 10 0 CDAERP CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)CC[NH+](C)C ZINC001636006433 1166641130 /nfs/dbraw/zinc/64/11/30/1166641130.db2.gz YIQQKUMZRLHDPG-CHWSQXEVSA-N 2 0 257.422 1.419 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H](C)CC[NH+](C)C ZINC001565563264 1168154439 /nfs/dbraw/zinc/15/44/39/1168154439.db2.gz ZFKDGBLVSNCKGR-CHWSQXEVSA-N 2 0 257.422 1.421 10 0 CDAERP [NH3+][C@@H]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001647248020 1168489540 /nfs/dbraw/zinc/48/95/40/1168489540.db2.gz MAEJEMJJIDRTPB-OWCLPIDISA-N 2 0 293.455 1.981 10 0 CDAERP CN(CC[NH2+]CC1CCC1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001567496288 1168812641 /nfs/dbraw/zinc/81/26/41/1168812641.db2.gz GTZDIYZVWXWTJT-HNNXBMFYSA-N 2 0 279.428 1.176 10 0 CDAERP CCO[C@H](C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1)C1CC1 ZINC001647977988 1169085405 /nfs/dbraw/zinc/08/54/05/1169085405.db2.gz SLGNZFDEDUPKJV-QLFBSQMISA-N 2 0 252.402 1.685 10 0 CDAERP CCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H](C)C1 ZINC001671243659 1169258262 /nfs/dbraw/zinc/25/82/62/1169258262.db2.gz DRJICZWFXPGGAV-QWHCGFSZSA-N 2 0 255.406 1.317 10 0 CDAERP CC(C)CCC[NH2+]C[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001569019340 1169599116 /nfs/dbraw/zinc/59/91/16/1169599116.db2.gz UXAZSYUTCFNODZ-HUUCEWRRSA-N 2 0 283.460 1.859 10 0 CDAERP CCCC[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001569063956 1169627233 /nfs/dbraw/zinc/62/72/33/1169627233.db2.gz UPDUHIFMBSPSJU-STQMWFEESA-N 2 0 257.422 1.467 10 0 CDAERP CC(C)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001570354532 1170137882 /nfs/dbraw/zinc/13/78/82/1170137882.db2.gz NQZBPQDLEDTDLG-QWHCGFSZSA-N 2 0 255.406 1.031 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001571486053 1170450588 /nfs/dbraw/zinc/45/05/88/1170450588.db2.gz ZEEHKFOENFXLQH-STQMWFEESA-N 2 0 255.406 1.317 10 0 CDAERP CC[C@@H](C(=O)N1CCCCC[C@H]([NH2+]CCOC)C1)[NH+](C)C ZINC001656899503 1171895057 /nfs/dbraw/zinc/89/50/57/1171895057.db2.gz PWLDKQBTFZIRHJ-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+]CC1CCC1 ZINC001662971443 1172622350 /nfs/dbraw/zinc/62/23/50/1172622350.db2.gz VOGMHGLSSPCBLY-GFCCVEGCSA-N 2 0 255.406 1.223 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NCCC[NH+]1CCCCC1 ZINC001587365056 1172983748 /nfs/dbraw/zinc/98/37/48/1172983748.db2.gz XSMICZCIJGZZKA-CQSZACIVSA-N 2 0 269.433 1.566 10 0 CDAERP CC(C)C[NH2+]C/C=C/CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001669149518 1173510917 /nfs/dbraw/zinc/51/09/17/1173510917.db2.gz BHQHEYRUWZVITN-HSBSLETESA-N 2 0 269.433 1.491 10 0 CDAERP CCC[NH2+]C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001669751011 1173593824 /nfs/dbraw/zinc/59/38/24/1173593824.db2.gz VPAOQCMYWFZMMM-ZDUSSCGKSA-N 2 0 255.406 1.367 10 0 CDAERP CC(C)[N@@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C1 ZINC001675479133 1174117913 /nfs/dbraw/zinc/11/79/13/1174117913.db2.gz FXHXBSGGXJGMSK-AWEZNQCLSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)=CC[N@H+](C)CCCNC(=O)Cc1[nH]cnc1C ZINC001689882133 1175294643 /nfs/dbraw/zinc/29/46/43/1175294643.db2.gz OOUZDLMMJBKLBR-UHFFFAOYSA-N 2 0 278.400 1.665 10 0 CDAERP CC(C)CCC[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001690298650 1175430589 /nfs/dbraw/zinc/43/05/89/1175430589.db2.gz NLXXEZUPQISJBN-SHTZXODSSA-N 2 0 281.444 1.755 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001690484070 1175480109 /nfs/dbraw/zinc/48/01/09/1175480109.db2.gz DHVOUJFUACQFNW-AWEZNQCLSA-N 2 0 279.428 1.463 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CCCCC[C@@H]([NH2+]CCCF)C2)C1 ZINC001692334848 1175739664 /nfs/dbraw/zinc/73/96/64/1175739664.db2.gz ZRAFQQUIVQWYMF-HUUCEWRRSA-N 2 0 299.434 1.659 10 0 CDAERP CC[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]C(C)C ZINC001698601705 1175866279 /nfs/dbraw/zinc/86/62/79/1175866279.db2.gz DNIOYLOACDHURC-ZIAGYGMSSA-N 2 0 269.433 1.754 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N2CCC(CC[NH2+]CCF)CC2)C1 ZINC001698701903 1175897719 /nfs/dbraw/zinc/89/77/19/1175897719.db2.gz VNDSDQAYWMSVTR-OAHLLOKOSA-N 2 0 299.434 1.516 10 0 CDAERP COCC[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001698823608 1175950820 /nfs/dbraw/zinc/95/08/20/1175950820.db2.gz IYWIMRWJEYVWRE-AWEZNQCLSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001698843221 1175959895 /nfs/dbraw/zinc/95/98/95/1175959895.db2.gz BKULKXSIOWOGNN-AWEZNQCLSA-N 2 0 281.444 1.731 10 0 CDAERP CCCCC[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001698845704 1175960272 /nfs/dbraw/zinc/96/02/72/1175960272.db2.gz NLTQDICQRSNZJQ-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001698890511 1175979067 /nfs/dbraw/zinc/97/90/67/1175979067.db2.gz GHPQFUVBXTZGEB-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CC[NH+](C)C ZINC001699030028 1176049302 /nfs/dbraw/zinc/04/93/02/1176049302.db2.gz WXOBHWSCKRKIEG-CABCVRRESA-N 2 0 281.444 1.779 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@@H]1CCC[C@H]1C[NH2+]CCC1CC1 ZINC001699056569 1176061765 /nfs/dbraw/zinc/06/17/65/1176061765.db2.gz CHSGTVYLNQKMOD-JKSUJKDBSA-N 2 0 293.455 1.757 10 0 CDAERP CC[C@H](C(=O)N(CC)CC[NH2+]Cc1ccccc1)[NH+](C)C ZINC001699213696 1176142215 /nfs/dbraw/zinc/14/22/15/1176142215.db2.gz HCZSLHHQMNBRFW-MRXNPFEDSA-N 2 0 291.439 1.965 10 0 CDAERP CCC[NH2+]C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1CC1 ZINC001699594360 1176490929 /nfs/dbraw/zinc/49/09/29/1176490929.db2.gz YETVPKQTZIQRCU-CHWSQXEVSA-N 2 0 255.406 1.221 10 0 CDAERP C[C@H](C(=O)NC1CC(C[NH2+]CCF)C1)[NH+]1CCCCCC1 ZINC001700379405 1176884826 /nfs/dbraw/zinc/88/48/26/1176884826.db2.gz WYUISMIAMVDPTK-WLYUNCDWSA-N 2 0 299.434 1.705 10 0 CDAERP CC[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]CCF)[NH+](C)C ZINC001700448145 1176934851 /nfs/dbraw/zinc/93/48/51/1176934851.db2.gz ZQUHLTKDIZCLIU-LBPRGKRZSA-N 2 0 275.412 1.370 10 0 CDAERP CCCC[NH2+][C@@H](C)[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CCO1 ZINC001700610524 1177036414 /nfs/dbraw/zinc/03/64/14/1177036414.db2.gz MHHMSYRJTOAUFP-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CC1CC1 ZINC001707380128 1178006883 /nfs/dbraw/zinc/00/68/83/1178006883.db2.gz SYFIEGICTLMABT-HNNXBMFYSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001713088367 1178362538 /nfs/dbraw/zinc/36/25/38/1178362538.db2.gz IWVBANJCSSLFGB-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001713238101 1178448621 /nfs/dbraw/zinc/44/86/21/1178448621.db2.gz CVPSZIMISJIKLV-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]CCCF ZINC001713316362 1178493511 /nfs/dbraw/zinc/49/35/11/1178493511.db2.gz PHEAOEQDGVMOPC-CHWSQXEVSA-N 2 0 273.396 1.315 10 0 CDAERP CC/C=C/CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001713883435 1178814297 /nfs/dbraw/zinc/81/42/97/1178814297.db2.gz BXYKDDMZZSVELE-CGFBPQRUSA-N 2 0 293.455 1.779 10 0 CDAERP CC[C@H](C(=O)NCC1C[NH+](CC2=CCCCC2)C1)[NH+](C)C ZINC001713922119 1178848741 /nfs/dbraw/zinc/84/87/41/1178848741.db2.gz CQPPEILUCMYQNJ-MRXNPFEDSA-N 2 0 293.455 1.875 10 0 CDAERP CCC[NH+]1CC(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001713925507 1178850341 /nfs/dbraw/zinc/85/03/41/1178850341.db2.gz DRBSCNRCOCVMAB-BETUJISGSA-N 2 0 267.417 1.317 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](CC[NH2+]CC2CC2)C1 ZINC001714239744 1179039425 /nfs/dbraw/zinc/03/94/25/1179039425.db2.gz WQVQFZDTBFGMQI-INIZCTEOSA-N 2 0 295.471 1.955 10 0 CDAERP CC/C=C/CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001714450052 1179145101 /nfs/dbraw/zinc/14/51/01/1179145101.db2.gz HRFOMNPUXBEMKN-ICWYTKJFSA-N 2 0 281.444 1.636 10 0 CDAERP Cc1cc(C[NH2+]CCN(C)C(=O)C2([NH+](C)C)CCC2)on1 ZINC001714717863 1179355834 /nfs/dbraw/zinc/35/58/34/1179355834.db2.gz SMCDRVODIYVSFI-UHFFFAOYSA-N 2 0 294.399 1.015 10 0 CDAERP CN(CC[NH2+]C/C=C\Cl)C(=O)C1([NH+](C)C)CCC1 ZINC001714717824 1179355879 /nfs/dbraw/zinc/35/58/79/1179355879.db2.gz SAKDHUNYRVMRFH-YVMONPNESA-N 2 0 273.808 1.271 10 0 CDAERP C[C@H](F)CC[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001714724683 1179358924 /nfs/dbraw/zinc/35/89/24/1179358924.db2.gz RZQIPJXLTLJXGU-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP C[C@H](C[NH2+]C/C=C/Cl)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001715330319 1179627671 /nfs/dbraw/zinc/62/76/71/1179627671.db2.gz LPIPFBJHTVVVLX-YJJAWEDRSA-N 2 0 299.846 1.517 10 0 CDAERP CCC[NH2+]CC[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001715441792 1179669348 /nfs/dbraw/zinc/66/93/48/1179669348.db2.gz ALERCSQDRVYUCZ-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP CC(C)=CC[N@@H+](C)CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001715528714 1179701822 /nfs/dbraw/zinc/70/18/22/1179701822.db2.gz KDASUWGMBWQSGB-OAHLLOKOSA-N 2 0 283.460 1.929 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CC[NH2+]C[C@H]1CCCOC1 ZINC001715714949 1179773510 /nfs/dbraw/zinc/77/35/10/1179773510.db2.gz OOGNPSPSWHCGND-LSDHHAIUSA-N 2 0 299.459 1.238 10 0 CDAERP CCC[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001715733678 1179783346 /nfs/dbraw/zinc/78/33/46/1179783346.db2.gz HLTXSPOCVJTETD-CQSZACIVSA-N 2 0 269.433 1.707 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C[NH2+]CCc1cccs1)[NH+](C)C ZINC001716002105 1179976329 /nfs/dbraw/zinc/97/63/29/1179976329.db2.gz QTSQVTSQUDJJNS-GXTWGEPZSA-N 2 0 297.468 1.725 10 0 CDAERP CCN(CC[NH2+]CCC1CC1)C(=O)C12CCC[NH+]1CCC2 ZINC001716227518 1180110030 /nfs/dbraw/zinc/11/00/30/1180110030.db2.gz VXVURMMIHVHJGB-UHFFFAOYSA-N 2 0 293.455 1.853 10 0 CDAERP CCN(CC[NH2+]C/C=C/Cl)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001716249000 1180119026 /nfs/dbraw/zinc/11/90/26/1180119026.db2.gz PEELMTNEFSQWSR-DIECRNLCSA-N 2 0 287.835 1.519 10 0 CDAERP CC(C)[NH2+]C/C=C/CNC(=O)C[N@H+](C)C1CCC1 ZINC001716307347 1180149985 /nfs/dbraw/zinc/14/99/85/1180149985.db2.gz XPUPGJHESIKZOV-SNAWJCMRSA-N 2 0 253.390 1.141 10 0 CDAERP CCC[NH2+]CCCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001716586549 1180293963 /nfs/dbraw/zinc/29/39/63/1180293963.db2.gz YZOMOTOYTRVEBY-UHFFFAOYSA-N 2 0 269.433 1.711 10 0 CDAERP C[NH+]1CCC(C(=O)N[C@H](C[NH2+]CCC2CC2)C2CC2)CC1 ZINC001716620398 1180310428 /nfs/dbraw/zinc/31/04/28/1180310428.db2.gz PHURHPLBKRTMSO-MRXNPFEDSA-N 2 0 293.455 1.613 10 0 CDAERP CCC[NH2+]C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001716993344 1180495594 /nfs/dbraw/zinc/49/55/94/1180495594.db2.gz HYNPFXRDXHLBBP-CABCVRRESA-N 2 0 283.460 1.812 10 0 CDAERP CCCC[NH2+]CC[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001717111235 1180532940 /nfs/dbraw/zinc/53/29/40/1180532940.db2.gz OAGYRZZXHRQYAZ-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CCCC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001717286524 1180604361 /nfs/dbraw/zinc/60/43/61/1180604361.db2.gz WCTHZNGLDJJUOC-DZGCQCFKSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)[NH2+][C@H](C)[C@H](C)NC(=O)CCCC[NH+](C)C ZINC001717434500 1180669756 /nfs/dbraw/zinc/66/97/56/1180669756.db2.gz GZIUPZQBNHKNIG-OLZOCXBDSA-N 2 0 257.422 1.610 10 0 CDAERP CCCC[N@H+](C)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001717494811 1180709134 /nfs/dbraw/zinc/70/91/34/1180709134.db2.gz MHILLSGXNCYOJV-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP CCOCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001717758416 1180833802 /nfs/dbraw/zinc/83/38/02/1180833802.db2.gz WZVFMZPQUJANIJ-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP COCCC[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C(C)(C)C ZINC001717972442 1180952859 /nfs/dbraw/zinc/95/28/59/1180952859.db2.gz HFCAYYZESUKQLW-AWEZNQCLSA-N 2 0 299.459 1.239 10 0 CDAERP CC(C)CCC[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001724943652 1181802654 /nfs/dbraw/zinc/80/26/54/1181802654.db2.gz KVWQQECJRTVWAD-GJZGRUSLSA-N 2 0 283.460 1.811 10 0 CDAERP CCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@H+](C)CCC)C1 ZINC001725603300 1182069971 /nfs/dbraw/zinc/06/99/71/1182069971.db2.gz ZOGAFHDMXRPYLQ-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H]1C ZINC001725607087 1182070948 /nfs/dbraw/zinc/07/09/48/1182070948.db2.gz OYQUKPUARGYXBL-KGLIPLIRSA-N 2 0 267.417 1.461 10 0 CDAERP C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)CC[C@H]1CCCO1 ZINC001731232865 1182264930 /nfs/dbraw/zinc/26/49/30/1182264930.db2.gz ZDENZRMKOCNCPU-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001731306604 1182307736 /nfs/dbraw/zinc/30/77/36/1182307736.db2.gz BLJMXMXAWFDROP-AWEZNQCLSA-N 2 0 267.417 1.176 10 0 CDAERP CC(C)=CC[NH2+][C@@H](CNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001731398072 1182359565 /nfs/dbraw/zinc/35/95/65/1182359565.db2.gz UZJBSGZAKRMLPK-HNNXBMFYSA-N 2 0 293.455 1.921 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001731529802 1182435556 /nfs/dbraw/zinc/43/55/56/1182435556.db2.gz MKOOGGCNTNYESO-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP CC[N@H+](CCNC(=O)C[NH+](C)C(C)C)CC1CC1 ZINC001731815861 1182603782 /nfs/dbraw/zinc/60/37/82/1182603782.db2.gz FJLFFECSRXBNFV-UHFFFAOYSA-N 2 0 255.406 1.175 10 0 CDAERP CN(CC[NH2+]Cc1ccsc1)C(=O)CC[NH+](C)C ZINC001731949529 1182693885 /nfs/dbraw/zinc/69/38/85/1182693885.db2.gz IJOZAWNFNPIUDQ-UHFFFAOYSA-N 2 0 269.414 1.248 10 0 CDAERP C[NH+](C)CCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCCCF ZINC001732147056 1182804419 /nfs/dbraw/zinc/80/44/19/1182804419.db2.gz IIHDAMSFLSNAOJ-GJZGRUSLSA-N 2 0 299.434 1.753 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC(CC[NH2+]CC2CC2)CC1 ZINC001732303225 1182900020 /nfs/dbraw/zinc/90/00/20/1182900020.db2.gz VFYMOBZMYHNINQ-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CCOCC[NH2+][C@H](CNC(=O)C1CC[NH+](C)CC1)C(C)C ZINC001732565915 1183012818 /nfs/dbraw/zinc/01/28/18/1183012818.db2.gz IGFFZUMPUGTCRP-OAHLLOKOSA-N 2 0 299.459 1.095 10 0 CDAERP CCCC[NH2+]CCN(CC)C(=O)CC1CC[NH+](C)CC1 ZINC001732800282 1183129636 /nfs/dbraw/zinc/12/96/36/1183129636.db2.gz RALQUVSSXGNBCG-UHFFFAOYSA-N 2 0 283.460 1.957 10 0 CDAERP CCCC[NH2+]C/C=C\CNC(=O)C12CCC[NH+]1CCC2 ZINC001732873314 1183165694 /nfs/dbraw/zinc/16/56/94/1183165694.db2.gz NDPDQRYKDJLTJK-PLNGDYQASA-N 2 0 279.428 1.677 10 0 CDAERP CC[C@@H](C)C[NH2+]C/C=C/CNC(=O)C12CC[NH+](CC1)C2 ZINC001732924533 1183186229 /nfs/dbraw/zinc/18/62/29/1183186229.db2.gz UMQZSAHXTVAMQW-ISZGNANSSA-N 2 0 279.428 1.390 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001732989442 1183222115 /nfs/dbraw/zinc/22/21/15/1183222115.db2.gz JTEMLOXFFUCONL-STQMWFEESA-N 2 0 253.390 1.141 10 0 CDAERP CC(C)[NH2+]CCCN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001733126126 1183300126 /nfs/dbraw/zinc/30/01/26/1183300126.db2.gz CXONYEMELKINHY-UHFFFAOYSA-N 2 0 271.449 1.811 10 0 CDAERP COCCC[N@@H+]1CC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001733217805 1183344276 /nfs/dbraw/zinc/34/42/76/1183344276.db2.gz BOOSYHJNYDAVKJ-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@@]1(NC(=O)C[NH+]2CCCC2)CC[N@H+](CCCCCF)C1 ZINC001733410593 1183423555 /nfs/dbraw/zinc/42/35/55/1183423555.db2.gz CPJJGIGPHILCMX-MRXNPFEDSA-N 2 0 299.434 1.803 10 0 CDAERP CC(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001733445668 1183434728 /nfs/dbraw/zinc/43/47/28/1183434728.db2.gz QTLHXTNDOXAZHR-DOTOQJQBSA-N 2 0 295.471 1.812 10 0 CDAERP CCCC[NH2+]CC1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001733957015 1183584042 /nfs/dbraw/zinc/58/40/42/1183584042.db2.gz RHPASFOYYPCEFG-WLYUNCDWSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@@H](NC(=O)CC[NH+]1CCCCC1)[C@H](C)[NH2+]CCCF ZINC001734005811 1183611753 /nfs/dbraw/zinc/61/17/53/1183611753.db2.gz VYXDIQOMVUIEFK-UONOGXRCSA-N 2 0 287.423 1.705 10 0 CDAERP CC(C)OCCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001734063683 1183644900 /nfs/dbraw/zinc/64/49/00/1183644900.db2.gz BCSASEORMKJUPE-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCOC(C)C)[C@H]1C ZINC001734404364 1183764617 /nfs/dbraw/zinc/76/46/17/1183764617.db2.gz RWAPXAROZUVWPG-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC001771755475 1186859488 /nfs/dbraw/zinc/85/94/88/1186859488.db2.gz XRDWWCPMXGRXKE-RBSFLKMASA-N 2 0 281.444 1.598 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N1CCC([NH+](C)C)CC1 ZINC001616316058 1165565409 /nfs/dbraw/zinc/56/54/09/1165565409.db2.gz NAYIWVWYVDZUQC-LBPRGKRZSA-N 2 0 255.406 1.127 10 0 CDAERP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cc(O)cc(F)c1 ZINC000924966643 844026800 /nfs/dbraw/zinc/02/68/00/844026800.db2.gz SVFMBUNKKIFGHL-QWHCGFSZSA-N 2 0 295.402 1.818 10 0 CDAERP C[NH+](C)C[C@](C)(O)C[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000723617164 844027508 /nfs/dbraw/zinc/02/75/08/844027508.db2.gz YTBOHSSTQYNNLH-BYNSBNAKSA-N 2 0 270.417 1.094 10 0 CDAERP C[C@@H](CNC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)[NH+](C)C ZINC000868175191 844035610 /nfs/dbraw/zinc/03/56/10/844035610.db2.gz ZQYQNXMACUODLI-LEWSCRJBSA-N 2 0 276.384 1.573 10 0 CDAERP CC(C)(C)N1C[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1=O ZINC000925575268 844041540 /nfs/dbraw/zinc/04/15/40/844041540.db2.gz YZIMATOITHBCIG-JHJVBQTASA-N 2 0 281.444 1.881 10 0 CDAERP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)[C@H](O)c1ccc2c(c1)OCO2 ZINC000848721207 844044217 /nfs/dbraw/zinc/04/42/17/844044217.db2.gz BVZQQUSBWGTGCC-GXCBOPRBSA-N 2 0 292.379 1.697 10 0 CDAERP O=C1N[C@@H](C2CC[NH+](CCCC3CC[NH2+]CC3)CC2)CO1 ZINC000923526903 844067377 /nfs/dbraw/zinc/06/73/77/844067377.db2.gz VJNDPOKCQJVREJ-OAHLLOKOSA-N 2 0 295.427 1.587 10 0 CDAERP [NH3+]C[C@@H]1CN(C[C@@H]2CCCCO2)C[C@@H]1C(F)(F)F ZINC000720838886 844078455 /nfs/dbraw/zinc/07/84/55/844078455.db2.gz JMVPKNVHWYIYQG-VWYCJHECSA-N 2 0 266.307 1.625 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713360070 844079154 /nfs/dbraw/zinc/07/91/54/844079154.db2.gz CSODRRCKFWRSAY-COMQUAJESA-N 2 0 267.417 1.206 10 0 CDAERP COc1ccccc1[C@H](O)C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925494632 844129907 /nfs/dbraw/zinc/12/99/07/844129907.db2.gz ORAQYWNIWOJGGV-SNPRPXQTSA-N 2 0 276.380 1.588 10 0 CDAERP CCN(C(=O)CCCC[NH+]1CCCC1)[C@@H]1CC[N@H+](C)C1 ZINC000855360752 844169852 /nfs/dbraw/zinc/16/98/52/844169852.db2.gz ITTQIKWCTBHEER-OAHLLOKOSA-N 2 0 281.444 1.805 10 0 CDAERP Cc1ccc(C[N@H+](C)C[C@@H]2CC3(C[NH2+]C3)CO2)s1 ZINC000923311214 844172501 /nfs/dbraw/zinc/17/25/01/844172501.db2.gz HZUVMBFHGDXJSL-LBPRGKRZSA-N 2 0 266.410 1.867 10 0 CDAERP CC[NH+]1CCC(CNC(=O)CCC23CC(C2)C[NH2+]3)CC1 ZINC000870873126 844226657 /nfs/dbraw/zinc/22/66/57/844226657.db2.gz AFTAMRLWKHYKLT-UHFFFAOYSA-N 2 0 279.428 1.367 10 0 CDAERP COc1cccc([C@H](O)C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925575568 844262492 /nfs/dbraw/zinc/26/24/92/844262492.db2.gz WBHBGMVUXMFNGI-RBSFLKMASA-N 2 0 276.380 1.588 10 0 CDAERP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925483544 844296744 /nfs/dbraw/zinc/29/67/44/844296744.db2.gz UJJOWYBQRAARJZ-MQLXINIDSA-N 2 0 254.418 1.760 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H]1CSC1(C)C ZINC000848992843 844304096 /nfs/dbraw/zinc/30/40/96/844304096.db2.gz YBCGKRJXMDGTEF-WDEREUQCSA-N 2 0 270.446 1.479 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)C(C)(C)[C@@H]([NH3+])C(C)C)C1 ZINC000713009444 844323756 /nfs/dbraw/zinc/32/37/56/844323756.db2.gz POFUDJWWLAURGA-KGLIPLIRSA-N 2 0 283.460 1.939 10 0 CDAERP C[NH+]1CCC(CNC(=[NH2+])N2CCC2)(N2CCCCC2)CC1 ZINC000849011142 844343946 /nfs/dbraw/zinc/34/39/46/844343946.db2.gz WIAIBLMCTDSVRU-UHFFFAOYSA-N 2 0 293.459 1.167 10 0 CDAERP Cc1noc(CCC[N@H+](C)CCCCCC[NH3+])n1 ZINC000710830284 844348586 /nfs/dbraw/zinc/34/85/86/844348586.db2.gz AKCTYJQDNYYUCN-UHFFFAOYSA-N 2 0 254.378 1.762 10 0 CDAERP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)C(C)(C)CO ZINC000924715165 844393997 /nfs/dbraw/zinc/39/39/97/844393997.db2.gz MEGYLUUZAPDZHU-GFCCVEGCSA-N 2 0 254.418 1.857 10 0 CDAERP Cc1cnc([C@H](C)[NH+]2CCC(O)(C[NH+](C)C)CC2)cn1 ZINC000931481847 844406196 /nfs/dbraw/zinc/40/61/96/844406196.db2.gz WCQNRJNJZUOCAS-ZDUSSCGKSA-N 2 0 278.400 1.235 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC(=O)N(CC2CC2)C1 ZINC000716742909 844452435 /nfs/dbraw/zinc/45/24/35/844452435.db2.gz XMYBHHGRBWVILZ-IHRRRGAJSA-N 2 0 265.401 1.104 10 0 CDAERP C[C@@H]([NH2+]CCOCC[NH2+][C@@H](C)c1cn[nH]c1)c1cn[nH]c1 ZINC000778141058 844469027 /nfs/dbraw/zinc/46/90/27/844469027.db2.gz UNRYMHOQCUZTFN-TXEJJXNPSA-N 2 0 292.387 1.151 10 0 CDAERP COC(=O)[C@H]1CCCC[C@H]1C[NH+]1CCC([NH+](C)C)CC1 ZINC000929263897 844477570 /nfs/dbraw/zinc/47/75/70/844477570.db2.gz OULLQDARHQFVEJ-ZFWWWQNUSA-N 2 0 282.428 1.992 10 0 CDAERP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CC1 ZINC000872142862 844577161 /nfs/dbraw/zinc/57/71/61/844577161.db2.gz HDFPHORFTXAQRC-KSWRQPAISA-N 2 0 294.439 1.772 10 0 CDAERP C[C@@H]1COC[C@@H](C)C1[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000925094652 844591071 /nfs/dbraw/zinc/59/10/71/844591071.db2.gz PJFSFSLZTOUDSP-KFWWJZLASA-N 2 0 296.455 1.748 10 0 CDAERP COC1(OC)CC[C@@H]1[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000924957653 844599907 /nfs/dbraw/zinc/59/99/07/844599907.db2.gz GUYJNQCNVHPWLS-HNNXBMFYSA-N 2 0 299.459 1.001 10 0 CDAERP C[C@@H](C[NH2+]CCc1cccs1)NC(=O)CC[NH+](C)C ZINC001569077808 1167547964 /nfs/dbraw/zinc/54/79/64/1167547964.db2.gz KLNMGZGXWUTXFA-LBPRGKRZSA-N 2 0 283.441 1.337 10 0 CDAERP Cc1nccn1C[C@H](C)C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925594997 843218063 /nfs/dbraw/zinc/21/80/63/843218063.db2.gz FHWFWRCTCVYHDP-MRVWCRGKSA-N 2 0 262.401 1.687 10 0 CDAERP CN1Cc2ccccc2[C@H]1CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870979143 843307541 /nfs/dbraw/zinc/30/75/41/843307541.db2.gz GWDJMRFDRIAJJP-CXUGXGMPSA-N 2 0 285.391 1.417 10 0 CDAERP Cc1cc([C@H](C)[NH2+]CCN2CCC([NH3+])CC2)c(C)o1 ZINC000925814608 843388647 /nfs/dbraw/zinc/38/86/47/843388647.db2.gz KJFLEOZDRQLDKV-LBPRGKRZSA-N 2 0 265.401 1.970 10 0 CDAERP C[C@@H]([NH2+]CCc1cccc2c1OCCO2)C1C[NH2+]C1 ZINC000925874385 843397856 /nfs/dbraw/zinc/39/78/56/843397856.db2.gz JESBLNOQHLWICF-LLVKDONJSA-N 2 0 262.353 1.198 10 0 CDAERP Cc1cc(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)nc(C)n1 ZINC000923451611 843474476 /nfs/dbraw/zinc/47/44/76/843474476.db2.gz MRQZTGKFKOWKEO-OAHLLOKOSA-N 2 0 290.411 1.423 10 0 CDAERP CC(C)CC[C@H](O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000923415044 843513643 /nfs/dbraw/zinc/51/36/43/843513643.db2.gz PNIVCTVCIXQWQU-QLFBSQMISA-N 2 0 254.418 1.857 10 0 CDAERP COC(=O)N(C)CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000850548315 843517857 /nfs/dbraw/zinc/51/78/57/843517857.db2.gz OCLRWDIWMFTCOG-XQQFMLRXSA-N 2 0 269.389 1.147 10 0 CDAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@]12C[C@H]1CCC2 ZINC000927701957 843604169 /nfs/dbraw/zinc/60/41/69/843604169.db2.gz WWBYEGLQAUKXLY-ZBFHGGJFSA-N 2 0 296.459 1.311 10 0 CDAERP CCC[NH+]1CCC([NH2+]CCCCCN2CC[NH2+]CC2)CC1 ZINC000925848550 843777253 /nfs/dbraw/zinc/77/72/53/843777253.db2.gz HYMAXABRRHVICO-UHFFFAOYSA-N 3 0 296.503 1.526 10 0 CDAERP CC1CCC(NC(=O)C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)CC1 ZINC000923504716 843811485 /nfs/dbraw/zinc/81/14/85/843811485.db2.gz UILIIQNVRKTNDH-RAFNIBEQSA-N 2 0 281.444 1.598 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CSCCS1 ZINC000925242673 843818137 /nfs/dbraw/zinc/81/81/37/843818137.db2.gz LJQPLWRQXPFNSZ-DAAZQVBGSA-N 2 0 272.483 1.765 10 0 CDAERP Cc1ccc([C@H](O)C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925492128 843824368 /nfs/dbraw/zinc/82/43/68/843824368.db2.gz GWESEWYQZFFYCA-QLFBSQMISA-N 2 0 260.381 1.888 10 0 CDAERP CN1C[C@]2(C)C[N@H+](CCC3OCCCO3)C[C@]2(C)C1 ZINC000706988696 843834995 /nfs/dbraw/zinc/83/49/95/843834995.db2.gz XTAUGDBOVOHRPA-GASCZTMLSA-N 2 0 268.401 1.413 10 0 CDAERP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000126771135 843847193 /nfs/dbraw/zinc/84/71/93/843847193.db2.gz FTBWVGMOVNAKLW-GDBMZVCRSA-N 2 0 293.455 1.709 10 0 CDAERP CCCCOC[C@@H](O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000227912041 843858986 /nfs/dbraw/zinc/85/89/86/843858986.db2.gz YZDNWCQNGXXQSF-KGLIPLIRSA-N 2 0 258.406 1.238 10 0 CDAERP C1CC2(C1)[NH2+]CC[C@H]2N[C@H]1CCCN2CCSC[C@H]12 ZINC000925827276 843866252 /nfs/dbraw/zinc/86/62/52/843866252.db2.gz RDEYQZQPGDGNQQ-BFHYXJOUSA-N 2 0 281.469 1.440 10 0 CDAERP O=C1CCC2=C(CC[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)N1 ZINC000852754304 843872057 /nfs/dbraw/zinc/87/20/57/843872057.db2.gz SVWSQGFTGCJKFV-UHFFFAOYSA-N 2 0 297.402 1.702 10 0 CDAERP Cc1ccc(CN2CC[NH2+]CC[NH2+]CC2)c(Cl)c1 ZINC000923460812 843876730 /nfs/dbraw/zinc/87/67/30/843876730.db2.gz RMPXOIYHTGBLBQ-UHFFFAOYSA-N 2 0 267.804 1.643 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC000936023994 843898368 /nfs/dbraw/zinc/89/83/68/843898368.db2.gz UFLREHZMRYFXNN-AWEZNQCLSA-N 2 0 299.459 1.334 10 0 CDAERP CCOC(=O)[C@@H]1[C@@H]2CCN(CCC[NH+](CC)CC)C[C@@H]21 ZINC000932058523 843925158 /nfs/dbraw/zinc/92/51/58/843925158.db2.gz HRRNWDFDEGQTEB-QLFBSQMISA-N 2 0 282.428 1.849 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000866703957 843959137 /nfs/dbraw/zinc/95/91/37/843959137.db2.gz QOOUWAIMWAXXRB-DZGCQCFKSA-N 2 0 253.434 1.683 10 0 CDAERP C[C@@H]1CN(CC[NH+]2CCCC2)CCN1c1cc[nH+]cc1 ZINC000931684771 844644229 /nfs/dbraw/zinc/64/42/29/844644229.db2.gz VCEVJVFXOFAVAK-OAHLLOKOSA-N 2 0 274.412 1.688 10 0 CDAERP NC(=O)c1cccc2c1CC[N@H+](CCCCCC[NH3+])C2 ZINC000852762737 844646254 /nfs/dbraw/zinc/64/62/54/844646254.db2.gz UZQXRPKGLPNVLQ-UHFFFAOYSA-N 2 0 275.396 1.663 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+]Cc2cncc3ccccc32)CC1 ZINC000397622081 844649529 /nfs/dbraw/zinc/64/95/29/844649529.db2.gz JHKBPCARMWRSKH-UHFFFAOYSA-N 2 0 285.391 1.781 10 0 CDAERP CC[C@H](C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1)[NH+](C)C ZINC000928829655 844650035 /nfs/dbraw/zinc/65/00/35/844650035.db2.gz LAXJCISMJXXAQV-LSDHHAIUSA-N 2 0 292.427 1.531 10 0 CDAERP CC(C)CCOCC[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923449381 844668848 /nfs/dbraw/zinc/66/88/48/844668848.db2.gz NOMSZEHQFRMJBY-OAHLLOKOSA-N 2 0 284.444 1.879 10 0 CDAERP Cc1c[nH+]ccc1N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000720236318 844719650 /nfs/dbraw/zinc/71/96/50/844719650.db2.gz GMXAIMNNHNOYSP-CYBMUJFWSA-N 2 0 261.369 1.383 10 0 CDAERP CN1CC[C@](O)(C[NH2+][C@@H]2CCOC23CCCCC3)C1 ZINC000926171781 844724060 /nfs/dbraw/zinc/72/40/60/844724060.db2.gz ASFLWBYFPFBSGL-KGLIPLIRSA-N 2 0 268.401 1.134 10 0 CDAERP C([C@H]1CCC2(CCC2)O1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000712453217 844746792 /nfs/dbraw/zinc/74/67/92/844746792.db2.gz SFHZNOVMCVKKNB-MJBXVCDLSA-N 2 0 250.386 1.772 10 0 CDAERP CCO[C@@H](CN[C@H](C)[C@@H]1CCCC[NH2+]1)C[NH+](C)C ZINC000925837638 844751734 /nfs/dbraw/zinc/75/17/34/844751734.db2.gz RVSCRMNFFBQHHR-RDBSUJKOSA-N 2 0 257.422 1.073 10 0 CDAERP CCO[C@H](C[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)C1CC1 ZINC000872150669 844792296 /nfs/dbraw/zinc/79/22/96/844792296.db2.gz ZAHQQYIVSFFSIG-IJLUTSLNSA-N 2 0 280.334 1.871 10 0 CDAERP C[C@H]1CC2(CN1C(=O)CCC13CC(C1)C[NH2+]3)CC[NH2+]CC2 ZINC000870948773 844814997 /nfs/dbraw/zinc/81/49/97/844814997.db2.gz MINZDSDQZRZUSL-CBCUQQMYSA-N 2 0 291.439 1.509 10 0 CDAERP C[N@@H+]1CC[C@@H]2C[NH+](C[C@](C)(O)c3ccccc3)CC[C@@H]21 ZINC000879574113 844847853 /nfs/dbraw/zinc/84/78/53/844847853.db2.gz XNMZSCUZMBLFOJ-PVAVHDDUSA-N 2 0 274.408 1.920 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)[C@]1(C)CCCCO1 ZINC000855346223 844892914 /nfs/dbraw/zinc/89/29/14/844892914.db2.gz RZYWOAQJPZODAW-HOCLYGCPSA-N 2 0 299.459 1.334 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC000861568435 844949655 /nfs/dbraw/zinc/94/96/55/844949655.db2.gz CILCQBASARWIEA-LBPRGKRZSA-N 2 0 270.421 1.097 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc(F)cc2)C12CCC2 ZINC000925536290 844960930 /nfs/dbraw/zinc/96/09/30/844960930.db2.gz CHZSNQOTYCBTMT-MJBXVCDLSA-N 2 0 264.344 1.719 10 0 CDAERP CN(CC[N@H+](C)C1CC1)C(=O)CCC12CC(C1)C[NH2+]2 ZINC000870928819 845022075 /nfs/dbraw/zinc/02/20/75/845022075.db2.gz SEUMGSXOLOSYIK-UHFFFAOYSA-N 2 0 265.401 1.071 10 0 CDAERP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C=C1CC[NH2+]CC1 ZINC000852797970 845040595 /nfs/dbraw/zinc/04/05/95/845040595.db2.gz DEJRXNXGBJWRTI-ZDUSSCGKSA-N 2 0 253.390 1.128 10 0 CDAERP CC(=O)NCCCCC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000930575783 845049928 /nfs/dbraw/zinc/04/99/28/845049928.db2.gz DZHSDXUSWLRECS-MRXNPFEDSA-N 2 0 281.444 1.711 10 0 CDAERP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1)C1CC1 ZINC000925807261 845217749 /nfs/dbraw/zinc/21/77/49/845217749.db2.gz DUDDDAKKJPWKDK-CQSZACIVSA-N 2 0 273.424 1.980 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@@H](O)c2ccc(F)cc2)C1 ZINC000848675701 845269969 /nfs/dbraw/zinc/26/99/69/845269969.db2.gz CCWKONJNSJHIPD-BYCMXARLSA-N 2 0 266.360 1.789 10 0 CDAERP Cc1nccn1CCC[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720807878 845286315 /nfs/dbraw/zinc/28/63/15/845286315.db2.gz AQXBZSYEXWMMPW-RYUDHWBXSA-N 2 0 290.333 1.651 10 0 CDAERP CC1(C)C[NH2+]CC[C@@H](NC(=O)[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC000872276623 845318414 /nfs/dbraw/zinc/31/84/14/845318414.db2.gz RJJKFECMRDNHCJ-IOASZLSFSA-N 2 0 279.428 1.413 10 0 CDAERP CO[C@@H]1CC[C@H]2OCC[N@H+](CCCCCC[NH3+])[C@H]2C1 ZINC000846223796 845325285 /nfs/dbraw/zinc/32/52/85/845325285.db2.gz ORGMIZIBMXNJNR-QLFBSQMISA-N 2 0 270.417 1.774 10 0 CDAERP COC1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000123898430 845327332 /nfs/dbraw/zinc/32/73/32/845327332.db2.gz KXGFCGOPLFCPKO-UHFFFAOYSA-N 2 0 260.381 1.943 10 0 CDAERP C[NH+](C)C1(C)CCC([NH2+][C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000715519626 845386720 /nfs/dbraw/zinc/38/67/20/845386720.db2.gz UZSDKNJNGKGLKO-LQULJDIASA-N 3 0 253.434 1.966 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@H](C)c2cnn(C)n2)CC1 ZINC000924955314 845418916 /nfs/dbraw/zinc/41/89/16/845418916.db2.gz NNINVTHHOLUUMI-GFCCVEGCSA-N 2 0 265.405 1.588 10 0 CDAERP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCc1cccc2c1OCCO2 ZINC000925873854 845425106 /nfs/dbraw/zinc/42/51/06/845425106.db2.gz DWMAVMDQAIYLMA-NEPJUHHUSA-N 2 0 264.369 1.716 10 0 CDAERP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000713051727 845437129 /nfs/dbraw/zinc/43/71/29/845437129.db2.gz PFJLDLGEDJSZOU-GXTWGEPZSA-N 2 0 281.444 1.596 10 0 CDAERP CC1(C)[C@H]([NH2+]C[C@@H]2CCCC[C@H]2O)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925691376 845499334 /nfs/dbraw/zinc/49/93/34/845499334.db2.gz XCTMRCBSZXSKBI-VYDRJRHOSA-N 2 0 266.429 1.904 10 0 CDAERP CC[N@H+](CCNC(=O)[C@]12CCC[C@H]1[NH2+]CC2)C1CC1 ZINC000711377922 845500069 /nfs/dbraw/zinc/50/00/69/845500069.db2.gz LKCBRXMHAKAQIV-HIFRSBDPSA-N 2 0 265.401 1.119 10 0 CDAERP C[C@@H]1C[N@H+](C[C@H]2COc3ccccc3O2)CC[C@@H]1C[NH3+] ZINC000709687331 845518788 /nfs/dbraw/zinc/51/87/88/845518788.db2.gz QOBGOSZACGJLAZ-MCIONIFRSA-N 2 0 276.380 1.743 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+]Cc2cnc(Cl)n2C)CC1 ZINC000848528757 845523909 /nfs/dbraw/zinc/52/39/09/845523909.db2.gz OSKLSBZGPQJKAG-UHFFFAOYSA-N 2 0 299.850 1.191 10 0 CDAERP COC(=O)C1=CC[C@@H]([NH2+]C2CC[NH+](C(C)C)CC2)C1 ZINC000858475929 845542634 /nfs/dbraw/zinc/54/26/34/845542634.db2.gz LTSOPSNGSIXKOS-CQSZACIVSA-N 2 0 266.385 1.711 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N[C@@H]2Cc3cncn3C2)C1 ZINC000857885206 845598588 /nfs/dbraw/zinc/59/85/88/845598588.db2.gz LTPNJNXLFCFBOS-IAQYHMDHSA-N 2 0 294.374 1.137 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000710604965 845607976 /nfs/dbraw/zinc/60/79/76/845607976.db2.gz REZZEZRGMYYKAC-WOPDTQHZSA-N 2 0 251.399 1.788 10 0 CDAERP CC1(C)[C@H]([NH2+]CCOC[C@H]2CCCO2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925498974 845629932 /nfs/dbraw/zinc/62/99/32/845629932.db2.gz UPVKIUZFCZTYPB-APIJFGDWSA-N 2 0 282.428 1.548 10 0 CDAERP CN1C[C@@H](CC[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC1=O ZINC000925811410 845648420 /nfs/dbraw/zinc/64/84/20/845648420.db2.gz IGXXKQXSXSQXPQ-NEBZKDRISA-N 2 0 279.428 1.221 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CC(C)(F)C1 ZINC000665762704 845704763 /nfs/dbraw/zinc/70/47/63/845704763.db2.gz NLNSYULRJJEMJH-LBPRGKRZSA-N 2 0 288.411 1.012 10 0 CDAERP O=c1cc(C[NH2+]C[C@@H]2CCN2C2CCOCC2)cc[nH]1 ZINC000922956207 845714928 /nfs/dbraw/zinc/71/49/28/845714928.db2.gz QRLMYXHNSRNXMY-AWEZNQCLSA-N 2 0 277.368 1.130 10 0 CDAERP C[NH+](C)CC1CC[NH+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)CC1 ZINC000929283566 845746174 /nfs/dbraw/zinc/74/61/74/845746174.db2.gz SLPXNVIHMARJOV-ILXRZTDVSA-N 2 0 268.401 1.064 10 0 CDAERP OCC1(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC2(CCC2)C1 ZINC000925653838 845756634 /nfs/dbraw/zinc/75/66/34/845756634.db2.gz OSRYZVQSXSDRBT-LXFSFDBISA-N 2 0 276.424 1.515 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC3(CCNC(=O)O3)CC2)C1 ZINC000923525267 845797303 /nfs/dbraw/zinc/79/73/03/845797303.db2.gz DMYXMKKAKKBLLK-NWDGAFQWSA-N 2 0 267.373 1.078 10 0 CDAERP C([C@H]1CC2(C[NH2+]C2)CO1)[N@H+](C1CC1)C1CCCC1 ZINC000923303770 845864678 /nfs/dbraw/zinc/86/46/78/845864678.db2.gz KPRHMKLFILKJDL-CQSZACIVSA-N 2 0 250.386 1.772 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)[C@@H](C)C1 ZINC000872285829 845870519 /nfs/dbraw/zinc/87/05/19/845870519.db2.gz JAMHEMSXGCMLQC-QKDZRIPBSA-N 2 0 279.428 1.303 10 0 CDAERP C[N@@H+](Cc1ccsc1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923302717 845942364 /nfs/dbraw/zinc/94/23/64/845942364.db2.gz UXXHEQITIOOBGL-LBPRGKRZSA-N 2 0 252.383 1.558 10 0 CDAERP COc1c[nH+]ccc1N1CC[NH+](CCCCCCO)CC1 ZINC000796568847 846006300 /nfs/dbraw/zinc/00/63/00/846006300.db2.gz UXSAYFMCNLUBOZ-UHFFFAOYSA-N 2 0 293.411 1.765 10 0 CDAERP Cc1cccc(OC[C@H](O)C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925567875 846078962 /nfs/dbraw/zinc/07/89/62/846078962.db2.gz LYDJJSSIVITUML-VNQPRFMTSA-N 2 0 290.407 1.594 10 0 CDAERP CSC1(C[NH2+][C@H]2CC[NH2+]C23CCC3)CCOCC1 ZINC000925573022 846121311 /nfs/dbraw/zinc/12/13/11/846121311.db2.gz LTKDJJWFABRKFR-LBPRGKRZSA-N 2 0 270.442 1.773 10 0 CDAERP C[C@H]1C[N@H+](Cc2cccc(C(=O)N(C)C)c2)CC[C@H]1C[NH3+] ZINC000923499284 846156798 /nfs/dbraw/zinc/15/67/98/846156798.db2.gz RVCOKEWULXLQEB-BBRMVZONSA-N 2 0 289.423 1.805 10 0 CDAERP CC(C)(C)N1CC[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1=O ZINC000925708180 846160122 /nfs/dbraw/zinc/16/01/22/846160122.db2.gz GKBJHKCWQMWDAD-UPJWGTAASA-N 2 0 281.444 1.881 10 0 CDAERP C[C@@H]1OC[C@@H]([NH2+]CCCC[NH+]2CCN(C)CC2)[C@@H]1C ZINC000924658557 846184129 /nfs/dbraw/zinc/18/41/29/846184129.db2.gz KQWNJQQLHGGJMZ-QLFBSQMISA-N 2 0 269.433 1.027 10 0 CDAERP [NH3+]CCOCC[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000866697264 846192453 /nfs/dbraw/zinc/19/24/53/846192453.db2.gz LHXUGPKUJKIXQL-AWEZNQCLSA-N 2 0 256.390 1.385 10 0 CDAERP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925513712 846207045 /nfs/dbraw/zinc/20/70/45/846207045.db2.gz ALGDAFHZOCJHQN-LKTVYLICSA-N 2 0 276.428 1.827 10 0 CDAERP CC[NH2+]CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309744713 846346795 /nfs/dbraw/zinc/34/67/95/846346795.db2.gz XDXVAKMLXYIKST-OAHLLOKOSA-N 2 0 275.396 1.329 10 0 CDAERP C[NH+](C)C[C@@H]1CN(C(=O)c2ccccc2)C[C@H]1C[NH+](C)C ZINC000870024524 846364222 /nfs/dbraw/zinc/36/42/22/846364222.db2.gz DZQULVJSHQOMPG-HZPDHXFCSA-N 2 0 289.423 1.498 10 0 CDAERP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713215653 846377248 /nfs/dbraw/zinc/37/72/48/846377248.db2.gz PGSUELPNYNTDRR-FQLMCAECSA-N 2 0 281.444 1.741 10 0 CDAERP Cc1ccc([C@H](C)[NH2+]CCN2CCC([NH3+])CC2)c(C)n1 ZINC000925814738 846461276 /nfs/dbraw/zinc/46/12/76/846461276.db2.gz LRPJOCRVABTKRQ-ZDUSSCGKSA-N 2 0 276.428 1.772 10 0 CDAERP C([C@@H]1C[C@H]2COC[C@H]2O1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000724582720 846475674 /nfs/dbraw/zinc/47/56/74/846475674.db2.gz DBBBYERBZWSFII-YHUYYLMFSA-N 2 0 280.412 1.254 10 0 CDAERP [NH3+][C@H]1C[C@@H]([NH2+][C@H](CCO)c2ccccc2)C12CCC2 ZINC000925624155 846517625 /nfs/dbraw/zinc/51/76/25/846517625.db2.gz VVZFZFZIDGOZKE-QLFBSQMISA-N 2 0 260.381 1.970 10 0 CDAERP C[NH+]1CCC(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)CC1 ZINC000709510067 846520395 /nfs/dbraw/zinc/52/03/95/846520395.db2.gz RCUPTHYYTKUNCO-CVEARBPZSA-N 2 0 266.429 1.955 10 0 CDAERP C[NH+](C)C1(CNC(=O)CCC23CC(C2)C[NH2+]3)CCCC1 ZINC000870865132 846538309 /nfs/dbraw/zinc/53/83/09/846538309.db2.gz DDCUUDCIGDNCTP-UHFFFAOYSA-N 2 0 279.428 1.509 10 0 CDAERP CCCn1cc([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)nn1 ZINC000715875348 846541910 /nfs/dbraw/zinc/54/19/10/846541910.db2.gz GZGSIYZNICATMI-GFCCVEGCSA-N 2 0 265.405 1.681 10 0 CDAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC[C@@H]1CNC(=O)C1 ZINC000925837214 846562987 /nfs/dbraw/zinc/56/29/87/846562987.db2.gz CSVUPIAKTUNTOP-HZSPNIEDSA-N 2 0 267.417 1.413 10 0 CDAERP CCCC[C@@H](COC)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925857012 846574977 /nfs/dbraw/zinc/57/49/77/846574977.db2.gz YTUNMAWLHNLBLC-UONOGXRCSA-N 2 0 298.427 1.467 10 0 CDAERP C[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1cncs1 ZINC000925842919 846588219 /nfs/dbraw/zinc/58/82/19/846588219.db2.gz CFUZMFZSTFYLCN-CYBMUJFWSA-N 2 0 282.457 1.869 10 0 CDAERP COC[C@@H](C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1)OC ZINC000859211913 846650675 /nfs/dbraw/zinc/65/06/75/846650675.db2.gz CQPLQAPCFYEDAW-MRXNPFEDSA-N 2 0 280.412 1.841 10 0 CDAERP C[C@]12C[NH2+]C[C@H]1CN([C@H]1CCc3ccccc3NC1=O)C2 ZINC000872154576 846667132 /nfs/dbraw/zinc/66/71/32/846667132.db2.gz XGAQALWGYLDWPO-JLJPHGGASA-N 2 0 285.391 1.481 10 0 CDAERP C[C@H](c1nc(C2CC2)no1)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923498750 846676077 /nfs/dbraw/zinc/67/60/77/846676077.db2.gz KZKYZUHNXBNHGX-FOGDFJRCSA-N 2 0 264.373 1.925 10 0 CDAERP C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923296829 846683845 /nfs/dbraw/zinc/68/38/45/846683845.db2.gz DNTCHJGXTCIZPQ-CQSZACIVSA-N 2 0 264.344 1.636 10 0 CDAERP COC(=O)C1=CC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000863542941 846758573 /nfs/dbraw/zinc/75/85/73/846758573.db2.gz UZFOTKVHIYNYPG-RFQIPJPRSA-N 2 0 264.369 1.226 10 0 CDAERP [NH3+]Cc1ccc2c(c1)CCCN2C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000841848495 846777288 /nfs/dbraw/zinc/77/72/88/846777288.db2.gz JLQMMEQALZDSSJ-RHSMWYFYSA-N 2 0 285.391 1.424 10 0 CDAERP CCC1([NH+](C)C)CCN(c2cc(NC)ncn2)CC1 ZINC000715228107 846808544 /nfs/dbraw/zinc/80/85/44/846808544.db2.gz QGEHTHYOEUNZCU-UHFFFAOYSA-N 2 0 263.389 1.829 10 0 CDAERP C[C@@H]1C[N@H+](CCC(=O)Nc2cccnc2)CC[C@H]1C[NH3+] ZINC000923496500 846809688 /nfs/dbraw/zinc/80/96/88/846809688.db2.gz AEVIDKRCWMPRPF-OLZOCXBDSA-N 2 0 276.384 1.327 10 0 CDAERP CCn1nc(C)c([C@H](C)[NH2+][C@H]2CCn3ccnc3C2)n1 ZINC000926230297 846842349 /nfs/dbraw/zinc/84/23/49/846842349.db2.gz RYLORBQGCBZBOD-JQWIXIFHSA-N 2 0 274.372 1.469 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+]CC[C@H]1CCCS1(=O)=O ZINC000714358041 846902652 /nfs/dbraw/zinc/90/26/52/846902652.db2.gz SPXRHYOFCIIJJO-VXGBXAGGSA-N 2 0 262.419 1.061 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC000895690097 846910808 /nfs/dbraw/zinc/91/08/08/846910808.db2.gz ZHOUIGHBDMUAIZ-HOCLYGCPSA-N 2 0 279.428 1.463 10 0 CDAERP CC(C)OCCC[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720809684 846972138 /nfs/dbraw/zinc/97/21/38/846972138.db2.gz HDIGWFKHDCARMH-MNOVXSKESA-N 2 0 268.323 1.871 10 0 CDAERP CCN1CC[NH+](C[C@H](C)CN[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925491818 846981625 /nfs/dbraw/zinc/98/16/25/846981625.db2.gz RSHRPSLGMFMYAI-HZPDHXFCSA-N 2 0 294.487 1.134 10 0 CDAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3C[NH2+]CC3(C)C)CC[C@H]21 ZINC000711375976 846987167 /nfs/dbraw/zinc/98/71/67/846987167.db2.gz GMEXPABLYYIDOC-MGPQQGTHSA-N 2 0 279.428 1.175 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000931663264 847010011 /nfs/dbraw/zinc/01/00/11/847010011.db2.gz JIMVWEPGBUHOOH-KBPBESRZSA-N 2 0 267.417 1.412 10 0 CDAERP [NH3+]CC1CC[NH+](C[C@H]2CC[C@H](C(F)(F)F)O2)CC1 ZINC000721445631 847010849 /nfs/dbraw/zinc/01/08/49/847010849.db2.gz PVKBKSXQOXUJRG-GHMZBOCLSA-N 2 0 266.307 1.767 10 0 CDAERP C[NH+](C)CC1CC[NH+](CC[S@](=O)C(F)(F)F)CC1 ZINC000929283136 847054461 /nfs/dbraw/zinc/05/44/61/847054461.db2.gz NTAOVRQKJOGOPP-SFHVURJKSA-N 2 0 286.363 1.529 10 0 CDAERP [NH3+][C@@H](CCNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)Cc1ccccc1 ZINC000872309319 847088794 /nfs/dbraw/zinc/08/87/94/847088794.db2.gz RZQXNAGCZUNZHV-AESZEHBQSA-N 2 0 287.407 1.190 10 0 CDAERP C[C@@H]1C[C@@H]1NC(=[NH2+])NCC1([NH+]2CCCC2)CCOCC1 ZINC000864457247 847125594 /nfs/dbraw/zinc/12/55/94/847125594.db2.gz BVRKKZAHXQHUGW-OLZOCXBDSA-N 2 0 280.416 1.154 10 0 CDAERP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCC1SCCS1)C2 ZINC000872154231 847141446 /nfs/dbraw/zinc/14/14/46/847141446.db2.gz OJFMVVKETSSCKX-CMPLNLGQSA-N 2 0 258.456 1.724 10 0 CDAERP CN(C)C(=O)CC[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714466613 847227292 /nfs/dbraw/zinc/22/72/92/847227292.db2.gz JXFSRAHQOUZMHV-UHFFFAOYSA-N 2 0 255.406 1.162 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCOC(F)(F)C(F)(F)F ZINC000720308794 847322902 /nfs/dbraw/zinc/32/29/02/847322902.db2.gz MMPVTTQTZLGCRL-JGVFFNPUSA-N 2 0 276.249 1.875 10 0 CDAERP C[N@@H+]1CCC[C@H]1CN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925716679 847346655 /nfs/dbraw/zinc/34/66/55/847346655.db2.gz BQWMVZHTVXHEBC-HRCADAONSA-N 2 0 265.445 1.839 10 0 CDAERP C([C@H]1CC[N@H+](C[C@@H]2CCC3(COC3)O2)C1)[NH+]1CCCC1 ZINC000929696665 847350222 /nfs/dbraw/zinc/35/02/22/847350222.db2.gz NZOZDGZHSLKPQA-CABCVRRESA-N 2 0 280.412 1.352 10 0 CDAERP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000714799639 847429210 /nfs/dbraw/zinc/42/92/10/847429210.db2.gz KDBFMAKBAMVDAV-ILXRZTDVSA-N 2 0 279.428 1.210 10 0 CDAERP CC1(C)CO[C@@H](C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)C1 ZINC000923447052 847432476 /nfs/dbraw/zinc/43/24/76/847432476.db2.gz PHMBZEXWPXXZNQ-ZIAGYGMSSA-N 2 0 282.428 1.631 10 0 CDAERP C[NH+](C)CC[C@H](NC(=O)C[NH+]1CCCC1)c1cccnc1 ZINC000928833817 847460309 /nfs/dbraw/zinc/46/03/09/847460309.db2.gz HCQFSIZUJLXAKB-HNNXBMFYSA-N 2 0 290.411 1.286 10 0 CDAERP CC[NH+](CC)CC(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000871357741 847483383 /nfs/dbraw/zinc/48/33/83/847483383.db2.gz RXTRUJIYOUMDID-UHFFFAOYSA-N 2 0 269.433 1.707 10 0 CDAERP CC1(C)[C@@H]([NH2+]C[C@H](O)C2CCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925690259 847488345 /nfs/dbraw/zinc/48/83/45/847488345.db2.gz IRWYSWAQRVXNEH-RFGFWPKPSA-N 2 0 252.402 1.514 10 0 CDAERP C[N@H+](CC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C)C1CCC1 ZINC000863890807 847517414 /nfs/dbraw/zinc/51/74/14/847517414.db2.gz CZHLIDYIVFGFPX-LQDVMPOASA-N 2 0 279.428 1.602 10 0 CDAERP Cn1cncc1CC[NH2+][C@H](C1CC1)[C@H]1CCCOC1 ZINC000926204013 847660614 /nfs/dbraw/zinc/66/06/14/847660614.db2.gz PPNNEYULTIQNPZ-DZGCQCFKSA-N 2 0 263.385 1.757 10 0 CDAERP C[N@H+](CCCCCC[NH3+])CCC(=O)NC1CCCC1 ZINC000872155050 847699620 /nfs/dbraw/zinc/69/96/20/847699620.db2.gz AQNZZGLMAAODAP-UHFFFAOYSA-N 2 0 269.433 1.886 10 0 CDAERP COC(=O)[C@@H]1C[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H](C)O1 ZINC000923402256 847724563 /nfs/dbraw/zinc/72/45/63/847724563.db2.gz VNSJKEFWOGBPJB-OIYCOIKZSA-N 2 0 296.411 1.169 10 0 CDAERP C(C1CC1)[N@@H+]1CC[C@H](N[C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925557320 847748276 /nfs/dbraw/zinc/74/82/76/847748276.db2.gz OFNHPSZPVATUPW-GJZGRUSLSA-N 2 0 263.429 1.735 10 0 CDAERP O[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000923413052 847752746 /nfs/dbraw/zinc/75/27/46/847752746.db2.gz BCMGSVBMMQJXTG-BRWVUGGUSA-N 2 0 274.408 1.664 10 0 CDAERP CC[NH2+]CC1CCN(C(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852800002 847773887 /nfs/dbraw/zinc/77/38/87/847773887.db2.gz YCLRWTNNGIGSPP-UHFFFAOYSA-N 2 0 265.401 1.144 10 0 CDAERP Cc1ccc([C@@H](O)C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000848676831 847804568 /nfs/dbraw/zinc/80/45/68/847804568.db2.gz SUPPYJUVKHAQOA-IMJJTQAJSA-N 2 0 262.397 1.958 10 0 CDAERP CC[C@@H](C[C@@H](C)O)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000866637558 847860151 /nfs/dbraw/zinc/86/01/51/847860151.db2.gz WYCIOUNDJPRTSK-OCCSQVGLSA-N 2 0 254.418 2.000 10 0 CDAERP C[C@@H]1CC[C@@H](C(N)=O)[C@H](C)[N@@H+]1CCC[NH+]1CCCCC1 ZINC000930910844 847867708 /nfs/dbraw/zinc/86/77/08/847867708.db2.gz JGKFACSPZDUWAW-QLFBSQMISA-N 2 0 281.444 1.837 10 0 CDAERP CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)[C@H]1CCCOC1 ZINC000723969347 847880311 /nfs/dbraw/zinc/88/03/11/847880311.db2.gz PDSYEAFLWABBRG-ZNMIVQPWSA-N 2 0 272.433 1.482 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)N(C)C2CCCCC2)C[C@H]1CC[NH3+] ZINC000723886607 847905205 /nfs/dbraw/zinc/90/52/05/847905205.db2.gz MFFRSWSLPWRJMZ-ZIAGYGMSSA-N 2 0 281.444 1.694 10 0 CDAERP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CCN2CCC([NH3+])CC2)C1 ZINC000925816362 847920305 /nfs/dbraw/zinc/92/03/05/847920305.db2.gz FLZVGJNKLUMCHE-IPYPFGDCSA-N 2 0 253.434 1.824 10 0 CDAERP c1ccc([C@@H]2C[C@H]3C[N@@H+](C[C@H]4CNCCO4)C[C@H]32)cc1 ZINC000863558167 847939874 /nfs/dbraw/zinc/93/98/74/847939874.db2.gz XNNMHJBGUMAOHA-VVLHAWIVSA-N 2 0 272.392 1.710 10 0 CDAERP CN(C)CC[NH+]1CCC(C[NH2+]Cc2ccnc(F)c2)CC1 ZINC000858127615 847963741 /nfs/dbraw/zinc/96/37/41/847963741.db2.gz KQXHVAXZHHXTBD-UHFFFAOYSA-N 2 0 294.418 1.584 10 0 CDAERP CC1(C)C[NH2+]CC[C@H](NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000872276586 847968406 /nfs/dbraw/zinc/96/84/06/847968406.db2.gz QDCLNBVRODWZBV-YXMPFFBPSA-N 2 0 265.401 1.008 10 0 CDAERP C(C[C@H]1CCSC1)[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000866405136 847970172 /nfs/dbraw/zinc/97/01/72/847970172.db2.gz XXEOXWXYLWRBAP-DZGCQCFKSA-N 2 0 284.469 1.973 10 0 CDAERP CCC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001565939131 1168203826 /nfs/dbraw/zinc/20/38/26/1168203826.db2.gz OLPYQWPUOCQWKX-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC1CCCC1 ZINC001567004227 1168499934 /nfs/dbraw/zinc/49/99/34/1168499934.db2.gz HUBZOIODCBKDLV-GXTWGEPZSA-N 2 0 267.417 1.365 10 0 CDAERP CC[C@@H](C(=O)NC[C@H](C)[NH2+]CC1CCCC1)[NH+](C)C ZINC001567054860 1168537720 /nfs/dbraw/zinc/53/77/20/1168537720.db2.gz YKJGBEDFASUZKU-JSGCOSHPSA-N 2 0 269.433 1.611 10 0 CDAERP CCC[NH2+]CC[C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001272566391 913454560 /nfs/dbraw/zinc/45/45/60/913454560.db2.gz WBCBBNYDPDHNLA-GJZGRUSLSA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001266482386 895032198 /nfs/dbraw/zinc/03/21/98/895032198.db2.gz ARIGHMXYNAAQIB-ZIAGYGMSSA-N 2 0 267.417 1.317 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001266550723 895325011 /nfs/dbraw/zinc/32/50/11/895325011.db2.gz BYRWBQAKSXYOCJ-ZDUSSCGKSA-N 2 0 255.406 1.175 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC=C(C)C)C1 ZINC001266634824 895645896 /nfs/dbraw/zinc/64/58/96/895645896.db2.gz HHJWBGPOBIWXPJ-HDJSIYSDSA-N 2 0 267.417 1.531 10 0 CDAERP COc1cccc(C[NH2+]CCN(C)C(=O)CC[NH+](C)C)c1 ZINC001266827171 896137087 /nfs/dbraw/zinc/13/70/87/896137087.db2.gz MGUUZTZDENFMRJ-UHFFFAOYSA-N 2 0 293.411 1.195 10 0 CDAERP O=C(N1CCCC[C@H]1C[NH2+]CCCF)C12CC[NH+](CC1)C2 ZINC001266881436 896273783 /nfs/dbraw/zinc/27/37/83/896273783.db2.gz VZVGHPCTDIRCIK-AWEZNQCLSA-N 2 0 297.418 1.413 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCCCCF ZINC001266927979 896369237 /nfs/dbraw/zinc/36/92/37/896369237.db2.gz OEDMYJFZFCYYHL-STQMWFEESA-N 2 0 273.396 1.315 10 0 CDAERP CC[C@@H](C(=O)N(C)CC[NH2+]CCc1ccccc1)[NH+](C)C ZINC001266988613 896505722 /nfs/dbraw/zinc/50/57/22/896505722.db2.gz LQXDEFUCGDEPKY-INIZCTEOSA-N 2 0 291.439 1.617 10 0 CDAERP C[NH+]1CCC2(CCN(C(=O)[C@H]3C[C@@H]([NH3+])C3)CC2)CC1 ZINC000693655877 897095731 /nfs/dbraw/zinc/09/57/31/897095731.db2.gz MXBNKUHRSMJNBA-BETUJISGSA-N 2 0 265.401 1.058 10 0 CDAERP CN(CC[NH2+]CC1CCCCC1)C(=O)C1CC[NH+](C)CC1 ZINC001267423205 897881639 /nfs/dbraw/zinc/88/16/39/897881639.db2.gz XWWFLIALZNBWBO-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CN(CC[NH2+]CCc1cccs1)C(=O)C[NH+]1CCCC1 ZINC001267468890 898069772 /nfs/dbraw/zinc/06/97/72/898069772.db2.gz DZECMSASXUHNEY-UHFFFAOYSA-N 2 0 295.452 1.434 10 0 CDAERP CC/C=C/CC[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001567604580 1168884830 /nfs/dbraw/zinc/88/48/30/1168884830.db2.gz HXTYRYCSLREGBE-GJBLVYBDSA-N 2 0 267.417 1.342 10 0 CDAERP CCCC[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001481170605 899040395 /nfs/dbraw/zinc/04/03/95/899040395.db2.gz RQEVNJBMBPNLAX-MRXNPFEDSA-N 2 0 293.455 1.709 10 0 CDAERP COCCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001267734825 899441611 /nfs/dbraw/zinc/44/16/11/899441611.db2.gz AMZNNUPRCRYMCW-HNNXBMFYSA-N 2 0 297.443 1.089 10 0 CDAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC[C@H](C)F ZINC001481229197 899509921 /nfs/dbraw/zinc/50/99/21/899509921.db2.gz PALPABDQBGCDIZ-KBPBESRZSA-N 2 0 287.423 1.655 10 0 CDAERP CCC[NH2+]C[C@@H](C)CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001267991787 900216427 /nfs/dbraw/zinc/21/64/27/900216427.db2.gz QWORXCHADCHSBB-CQSZACIVSA-N 2 0 299.459 1.097 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)CC[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001481306275 900310605 /nfs/dbraw/zinc/31/06/05/900310605.db2.gz KDTBQBOFWCMZKO-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1ccccc1 ZINC001268520595 902498704 /nfs/dbraw/zinc/49/87/04/902498704.db2.gz DGFQBMWDQAVTHY-SQRWCISFSA-N 2 0 287.407 1.543 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CCC(F)(F)F ZINC001268524121 902504040 /nfs/dbraw/zinc/50/40/40/902504040.db2.gz SNJSFNDSRHSHDG-VUDBWIFFSA-N 2 0 293.333 1.295 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)NC[C@H](C)C[NH2+]CCF)CC1 ZINC001482155728 902772123 /nfs/dbraw/zinc/77/21/23/902772123.db2.gz HJDUJMOWSTVFSI-CYBMUJFWSA-N 2 0 287.423 1.418 10 0 CDAERP CC/C=C\CC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001496680454 902869597 /nfs/dbraw/zinc/86/95/97/902869597.db2.gz TUYVJYCKPQHLGL-XHPSBEMXSA-N 2 0 281.444 1.827 10 0 CDAERP CCCCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001268645865 902892111 /nfs/dbraw/zinc/89/21/11/902892111.db2.gz ZAQOKJLYKRHPER-UKRRQHHQSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001268670045 902928935 /nfs/dbraw/zinc/92/89/35/902928935.db2.gz RFGMCUVLUKNGGO-CYBMUJFWSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC001361940462 902986363 /nfs/dbraw/zinc/98/63/63/902986363.db2.gz AXMIQGGJLYPFNM-HUUCEWRRSA-N 2 0 281.444 1.661 10 0 CDAERP C[C@@H](C[NH2+]CC[C@H]1CCCCO1)NC(=O)C[NH+]1CCCC1 ZINC001268714732 903001045 /nfs/dbraw/zinc/00/10/45/903001045.db2.gz BMCWHLDPXLCYGS-LSDHHAIUSA-N 2 0 297.443 1.136 10 0 CDAERP CC/C=C\CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268715341 903001392 /nfs/dbraw/zinc/00/13/92/903001392.db2.gz HDPQRSXAMLVRDS-MEWZEZIVSA-N 2 0 267.417 1.389 10 0 CDAERP CN(CCC[NH2+]C/C=C/Cl)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001268915954 903242475 /nfs/dbraw/zinc/24/24/75/903242475.db2.gz ULWMNIVTZXGYPT-VUUYWXRKSA-N 2 0 287.835 1.519 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CCCF)CC[N@@H+]1C ZINC001270254486 904480747 /nfs/dbraw/zinc/48/07/47/904480747.db2.gz QHQKAOZNIBFQAY-SOUVJXGZSA-N 2 0 299.434 1.657 10 0 CDAERP CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CC1CC1)[NH+](C)C ZINC001482300928 904795380 /nfs/dbraw/zinc/79/53/80/904795380.db2.gz WUZKXCJLDHDTJJ-WCQYABFASA-N 2 0 255.406 1.173 10 0 CDAERP CCCC[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001482329387 905077407 /nfs/dbraw/zinc/07/74/07/905077407.db2.gz AYMWKGFPGKNBEH-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@@]1(C[NH2+]CCF)CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001270848373 905139047 /nfs/dbraw/zinc/13/90/47/905139047.db2.gz TVZHBJSVXFPAPE-INIZCTEOSA-N 2 0 299.434 1.660 10 0 CDAERP CC(C)=CC[NH+]1CC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001270858207 905178660 /nfs/dbraw/zinc/17/86/60/905178660.db2.gz VNTRADUFCYLPND-UHFFFAOYSA-N 2 0 293.455 1.829 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)C(C)C ZINC001482370118 905220431 /nfs/dbraw/zinc/22/04/31/905220431.db2.gz RURWJGDNMBPMEJ-ZIAGYGMSSA-N 2 0 271.449 1.809 10 0 CDAERP CC[C@H](C)C[N@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001422945781 905660405 /nfs/dbraw/zinc/66/04/05/905660405.db2.gz HMYLHDMVOKMCLH-LSDHHAIUSA-N 2 0 295.471 1.907 10 0 CDAERP CC[NH2+]CC[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001482458325 905668437 /nfs/dbraw/zinc/66/84/37/905668437.db2.gz DILYPZLGISANOL-AWEZNQCLSA-N 2 0 279.428 1.463 10 0 CDAERP CC(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001271609445 906549215 /nfs/dbraw/zinc/54/92/15/906549215.db2.gz PEJSZIQFUJAVKR-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccccn1 ZINC001409481315 910432878 /nfs/dbraw/zinc/43/28/78/910432878.db2.gz WTHKOLVETSKYTQ-UONOGXRCSA-N 2 0 292.427 1.405 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC1CC1 ZINC001483296840 910809929 /nfs/dbraw/zinc/80/99/29/910809929.db2.gz RQIFUCPXUVNMQL-GXTWGEPZSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001568176503 1169161718 /nfs/dbraw/zinc/16/17/18/1169161718.db2.gz WARQJJGPDGJSPB-QWHCGFSZSA-N 2 0 287.423 1.561 10 0 CDAERP CC(C)OCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001484627994 915971937 /nfs/dbraw/zinc/97/19/37/915971937.db2.gz MMZCIWAZWAHTET-AWEZNQCLSA-N 2 0 297.443 1.134 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001484688760 916044352 /nfs/dbraw/zinc/04/43/52/916044352.db2.gz ZTYBVHNYSDKLAE-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001484760217 916128124 /nfs/dbraw/zinc/12/81/24/916128124.db2.gz UMKNBZFDHABZNF-GJZGRUSLSA-N 2 0 281.444 1.804 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@H]1C ZINC001484988480 916347333 /nfs/dbraw/zinc/34/73/33/916347333.db2.gz XRGVCHVTOGXANZ-KGLIPLIRSA-N 2 0 269.433 1.706 10 0 CDAERP CC[C@@H](F)C[N@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001485068350 916448301 /nfs/dbraw/zinc/44/83/01/916448301.db2.gz CZFRKKOUYRZPPB-ZIAGYGMSSA-N 2 0 287.423 1.609 10 0 CDAERP Cc1cncc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[NH+](C)C)c1 ZINC001485190722 916652312 /nfs/dbraw/zinc/65/23/12/916652312.db2.gz RDZWNTWKKQBFLL-UONOGXRCSA-N 2 0 292.427 1.325 10 0 CDAERP Cc1ncoc1C[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001485230405 916685957 /nfs/dbraw/zinc/68/59/57/916685957.db2.gz TWGFCJMFWGOJDY-VXGBXAGGSA-N 2 0 296.415 1.306 10 0 CDAERP CC/C=C\CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CN(C)CCO1 ZINC001485289248 916767456 /nfs/dbraw/zinc/76/74/56/916767456.db2.gz SNOSTWFUTAADRF-YOVCOIKASA-N 2 0 297.443 1.110 10 0 CDAERP CC(C)CCC[N@H+](C)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001485372894 916924179 /nfs/dbraw/zinc/92/41/79/916924179.db2.gz FVUMBZQZNXEMSB-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](C)C[N@H+](C)[C@@H](C)CNC(=O)Cn1ccnc1 ZINC001485393759 916929294 /nfs/dbraw/zinc/92/92/94/916929294.db2.gz CYCDLZYJWMEVAC-STQMWFEESA-N 2 0 266.389 1.366 10 0 CDAERP CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001485624159 917146180 /nfs/dbraw/zinc/14/61/80/917146180.db2.gz VMXRVMVDARDDER-YHUYYLMFSA-N 2 0 293.455 1.422 10 0 CDAERP CCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001568294981 1169228590 /nfs/dbraw/zinc/22/85/90/1169228590.db2.gz LRZISTLVZXNUMQ-ZNMIVQPWSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@]12CCC[C@@H]1[NH+](CC1CC1)CC2 ZINC001486155751 920763187 /nfs/dbraw/zinc/76/31/87/920763187.db2.gz RGXGKSPNWWMHFP-RDJZCZTQSA-N 2 0 293.455 1.850 10 0 CDAERP CC(C)N(CC[N@H+](C)CC1CC1)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001486375798 920956310 /nfs/dbraw/zinc/95/63/10/920956310.db2.gz PNBAUWFVVKQFOF-OAHLLOKOSA-N 2 0 295.471 1.907 10 0 CDAERP CC[C@H](C(=O)N[C@H](C[NH2+]CCCF)C(C)(C)C)[NH+](C)C ZINC001486402349 920987092 /nfs/dbraw/zinc/98/70/92/920987092.db2.gz DTNRSXJOEPMGHC-CHWSQXEVSA-N 2 0 289.439 1.807 10 0 CDAERP COCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001486460687 921025063 /nfs/dbraw/zinc/02/50/63/921025063.db2.gz ASUVVHFXOFDULX-NRXISQOPSA-N 2 0 297.443 1.085 10 0 CDAERP CC[NH2+]CC[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001273052507 921828417 /nfs/dbraw/zinc/82/84/17/921828417.db2.gz LPYVAXACUYZBNB-GFCCVEGCSA-N 2 0 255.406 1.223 10 0 CDAERP CC[C@H](C)C[NH+]1CC([C@H](C)NC(=O)C[N@H+](C)C(C)C)C1 ZINC001409960441 921918999 /nfs/dbraw/zinc/91/89/99/921918999.db2.gz CJYNPPWAMLEFST-KBPBESRZSA-N 2 0 283.460 1.809 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]CCF)C2CCCCC2)C1 ZINC001568349415 1169257570 /nfs/dbraw/zinc/25/75/70/1169257570.db2.gz VQUHXALHKMJZID-HUUCEWRRSA-N 2 0 299.434 1.562 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cncs2)C1 ZINC001490922560 936832652 /nfs/dbraw/zinc/83/26/52/936832652.db2.gz QTHAPCGKLZXANE-HAQNSBGRSA-N 2 0 296.440 1.222 10 0 CDAERP O=C1NCCC2(CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)O1 ZINC000923528883 923907197 /nfs/dbraw/zinc/90/71/97/923907197.db2.gz YODIBCIGVMEMLN-CYBMUJFWSA-N 2 0 281.400 1.341 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NCC[NH+]1CCC(C)CC1 ZINC001141643321 936914684 /nfs/dbraw/zinc/91/46/84/936914684.db2.gz NSMNVXGCMJRWHM-CQSZACIVSA-N 2 0 269.433 1.422 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]CC(C)C ZINC001276404700 937020055 /nfs/dbraw/zinc/02/00/55/937020055.db2.gz KJDKULDKFHYDGN-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CCO1 ZINC001273269186 925691843 /nfs/dbraw/zinc/69/18/43/925691843.db2.gz XHFBHRGDMKZYNQ-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CCC1CC1 ZINC001410458037 925736237 /nfs/dbraw/zinc/73/62/37/925736237.db2.gz UVBFDVVQKWSJDN-YCPHGPKFSA-N 2 0 295.471 1.953 10 0 CDAERP CCN(CC[NH2+]Cc1ccccn1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001273297767 925758531 /nfs/dbraw/zinc/75/85/31/925758531.db2.gz AKASNWAGSPBSQW-HNNXBMFYSA-N 2 0 290.411 1.114 10 0 CDAERP COCC[N@@H+]1CC[C@]2(NC(=O)CCC[NH+](C)C)CCC[C@H]12 ZINC001410887138 926730099 /nfs/dbraw/zinc/73/00/99/926730099.db2.gz CQOJFVLNQOEHIG-GOEBONIOSA-N 2 0 297.443 1.088 10 0 CDAERP CC[N@H+](C)CCOCCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001489223078 926843746 /nfs/dbraw/zinc/84/37/46/926843746.db2.gz SECGFBCUDJBNJB-HUUCEWRRSA-N 2 0 299.459 1.286 10 0 CDAERP Cc1ncc(C[N@H+](C)CCCNC(=O)[C@@H]2CCC[NH+]2C)o1 ZINC001490165959 927001485 /nfs/dbraw/zinc/00/14/85/927001485.db2.gz ZMGLUYPPNZOMLU-AWEZNQCLSA-N 2 0 294.399 1.015 10 0 CDAERP CCN(CC[NH2+]CC1CC1)C(=O)C[N@H+](C)C1CCC1 ZINC001273428396 927074921 /nfs/dbraw/zinc/07/49/21/927074921.db2.gz USCJGDQYAQNQGD-UHFFFAOYSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)C[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001490661442 927290274 /nfs/dbraw/zinc/29/02/74/927290274.db2.gz MWGKIUOFFICPEN-JKSUJKDBSA-N 2 0 295.471 2.000 10 0 CDAERP C[C@H]1CCCN(C(=O)C=C2CC[NH2+]CC2)[C@H]1CC[NH3+] ZINC000852895942 927909044 /nfs/dbraw/zinc/90/90/44/927909044.db2.gz NPIWPASUTYFYHN-JSGCOSHPSA-N 2 0 265.401 1.272 10 0 CDAERP CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001274460267 931501830 /nfs/dbraw/zinc/50/18/30/931501830.db2.gz PKTPJQBAJQQRFN-ZDUSSCGKSA-N 2 0 269.433 1.563 10 0 CDAERP CC1CC[NH+](CC(=O)NC/C=C\C[NH2+]CCC2CC2)CC1 ZINC001274464172 931502067 /nfs/dbraw/zinc/50/20/67/931502067.db2.gz KRVLUDIELKYKFQ-IHWYPQMZSA-N 2 0 293.455 1.780 10 0 CDAERP C[NH+](C)CC1(CN[C@H]2C[C@@H]([NH3+])C23CCC3)CCCC1 ZINC000925639023 932919007 /nfs/dbraw/zinc/91/90/07/932919007.db2.gz ISAYLDLTLMISDG-KGLIPLIRSA-N 2 0 265.445 1.968 10 0 CDAERP CC1(C)[C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925727151 932933567 /nfs/dbraw/zinc/93/35/67/932933567.db2.gz ZGYXEQSGIVPAPT-ZSAUSMIDSA-N 3 0 265.445 1.870 10 0 CDAERP C/C=C\C[C@H]1CCC[N@H+](CC(=O)N2CC[NH2+]CC2)C1 ZINC001118896472 937675928 /nfs/dbraw/zinc/67/59/28/937675928.db2.gz AMXXZYFWVVYQJY-SFAKSCPVSA-N 2 0 265.401 1.096 10 0 CDAERP CC(C)C[NH2+]Cc1nc(CC2CC[NH2+]CC2)no1 ZINC001119559374 937732376 /nfs/dbraw/zinc/73/23/76/937732376.db2.gz JIWIUHHHOJUPPQ-UHFFFAOYSA-N 2 0 252.362 1.357 10 0 CDAERP CCCC[N@H+](C)CC1CC[NH+](C[C@H](O)C(C)(C)O)CC1 ZINC001412945494 935110816 /nfs/dbraw/zinc/11/08/16/935110816.db2.gz RILZHUJTNZOIJU-HNNXBMFYSA-N 2 0 286.460 1.562 10 0 CDAERP CC(C)CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001568633248 1169408469 /nfs/dbraw/zinc/40/84/69/1169408469.db2.gz ATEYZDDQTCAFLI-RBSFLKMASA-N 2 0 283.460 1.857 10 0 CDAERP CC[C@@H](CO)[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001413091196 935897949 /nfs/dbraw/zinc/89/79/49/935897949.db2.gz RQDUFIOPZIXIMT-AWEZNQCLSA-N 2 0 270.417 1.070 10 0 CDAERP CCO[C@H](CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C[NH+](C)C ZINC001413526001 936128675 /nfs/dbraw/zinc/12/86/75/936128675.db2.gz SELRYXQGYKLEDV-QLFBSQMISA-N 2 0 299.459 1.190 10 0 CDAERP CC/C=C\CC[N@H+]1C[C@@H]2C(CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001276708503 940801086 /nfs/dbraw/zinc/80/10/86/940801086.db2.gz PQJDUQWONJEQKG-RJYGZFAVSA-N 2 0 293.455 1.588 10 0 CDAERP C[C@@H]([NH2+]Cc1ncc(Cl)n1C)C1CC[NH2+]CC1 ZINC000400505822 940851028 /nfs/dbraw/zinc/85/10/28/940851028.db2.gz JXCNEBXAJDTNKV-SECBINFHSA-N 2 0 256.781 1.551 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]CCc2nnc3ccccn32)C12CCC2 ZINC000405255725 940976686 /nfs/dbraw/zinc/97/66/86/940976686.db2.gz MCIAFERTTSLPTP-NEPJUHHUSA-N 2 0 271.368 1.131 10 0 CDAERP CC(C)[C@H](CN[C@@H]1C[C@H]([NH3+])C12CCC2)[NH+]1CCCC1 ZINC000405322548 940980971 /nfs/dbraw/zinc/98/09/71/940980971.db2.gz VNLHCOUDEOZQCM-SOUVJXGZSA-N 2 0 265.445 1.966 10 0 CDAERP CCOC(=O)N1CCC([NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000405344325 940983742 /nfs/dbraw/zinc/98/37/42/940983742.db2.gz KCHNHHNFDXWOFA-OLZOCXBDSA-N 2 0 281.400 1.467 10 0 CDAERP CC(C)[C@H](C[NH2+][C@@H]1CO[C@@H](C)[C@@H]1C)N1CC[NH+](C)CC1 ZINC000405570086 940991803 /nfs/dbraw/zinc/99/18/03/940991803.db2.gz GKPUKFQTORRXDE-JONQDZQNSA-N 2 0 283.460 1.271 10 0 CDAERP CCN(CC[NH2+]CCOC)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001568751587 1169462302 /nfs/dbraw/zinc/46/23/02/1169462302.db2.gz PYEWKUNWLSUPJN-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCOCCCO ZINC000423115080 941667769 /nfs/dbraw/zinc/66/77/69/941667769.db2.gz XCIPPWONPOLRCI-ZIAGYGMSSA-N 2 0 258.406 1.286 10 0 CDAERP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCCC[C@@H]3O)CC[C@@H]21 ZINC001473725920 970839365 /nfs/dbraw/zinc/83/93/65/970839365.db2.gz WWGXCDDRLSQYSO-QPSCCSFWSA-N 2 0 252.402 1.564 10 0 CDAERP CCN(CC[NH2+]CC[C@H](C)F)C(=O)C1CC[NH+](C)CC1 ZINC001568772066 1169470006 /nfs/dbraw/zinc/47/00/06/1169470006.db2.gz HHQJAYWJNYZNEG-ZDUSSCGKSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)=CC[NH2+]C1(CNC(=O)CC[NH+](C)C)CC1 ZINC001277164424 942091345 /nfs/dbraw/zinc/09/13/45/942091345.db2.gz ILHWYMYDBRQHSE-UHFFFAOYSA-N 2 0 253.390 1.143 10 0 CDAERP CC(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001281957372 942636644 /nfs/dbraw/zinc/63/66/44/942636644.db2.gz QWUHGIBINVQYBR-AWEZNQCLSA-N 2 0 269.433 1.517 10 0 CDAERP CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001284095727 943076995 /nfs/dbraw/zinc/07/69/95/943076995.db2.gz JCJBRCRHOKFGFS-BFHYXJOUSA-N 2 0 267.417 1.175 10 0 CDAERP CCC[N@H+](C)CC(=O)NCC1=CC[NH+](CCC2CC2)CC1 ZINC001284976391 943306234 /nfs/dbraw/zinc/30/62/34/943306234.db2.gz GVJORWLWIJLMPV-UHFFFAOYSA-N 2 0 293.455 1.877 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)c2ccc(CN(C)C)o2)CC[N@@H+]1C ZINC001362189049 970995034 /nfs/dbraw/zinc/99/50/34/970995034.db2.gz VBFBHYFGZXWKIB-CHWSQXEVSA-N 2 0 293.411 1.896 10 0 CDAERP CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001263927856 944033821 /nfs/dbraw/zinc/03/38/21/944033821.db2.gz PEFLZMBAMXMTNK-MJBXVCDLSA-N 2 0 269.433 1.467 10 0 CDAERP COCC[NH2+][C@H]1CCCCCN(C(=O)CCC[NH+](C)C)C1 ZINC001264121881 944081476 /nfs/dbraw/zinc/08/14/76/944081476.db2.gz BEYRWVRHLPIFFD-HNNXBMFYSA-N 2 0 299.459 1.335 10 0 CDAERP C[N@@H+]1CCC[C@H]2C[NH+](CC3CCC(O)CC3)CC[C@@H]21 ZINC000389464196 944175837 /nfs/dbraw/zinc/17/58/37/944175837.db2.gz YZLACYRJTZOUTI-GRAKBVBRSA-N 2 0 266.429 1.954 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001265121580 944238348 /nfs/dbraw/zinc/23/83/48/944238348.db2.gz WSEDKPPMORTAFW-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CCOCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001265304068 944334368 /nfs/dbraw/zinc/33/43/68/944334368.db2.gz VBPUDFIMOXCXDN-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP CCCC[NH2+]C[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001265624210 944449839 /nfs/dbraw/zinc/44/98/39/944449839.db2.gz NQTGJYKRXRJITG-HZPDHXFCSA-N 2 0 295.471 1.957 10 0 CDAERP CC[N@H+](C)CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001265933660 944580855 /nfs/dbraw/zinc/58/08/55/944580855.db2.gz QDUBIDVORGEKCD-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP CCCCCC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001265940293 944585256 /nfs/dbraw/zinc/58/52/56/944585256.db2.gz RVWASYVPGNDNRH-HNNXBMFYSA-N 2 0 293.455 1.853 10 0 CDAERP CC(C)C[NH2+]C1CC(N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001279329520 944793019 /nfs/dbraw/zinc/79/30/19/944793019.db2.gz ZIGROQKJJGZMFN-UHFFFAOYSA-N 2 0 269.433 1.562 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCCF)[C@@H]1C ZINC001278314215 945857552 /nfs/dbraw/zinc/85/75/52/945857552.db2.gz CFRVULUWDDDNCQ-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP CN(C[C@H]1CC[N@@H+]1CC1CCC1)C(=O)C[NH+]1CCCC1 ZINC001479272530 971282257 /nfs/dbraw/zinc/28/22/57/971282257.db2.gz VTVFWOWLSSFRTK-OAHLLOKOSA-N 2 0 279.428 1.415 10 0 CDAERP CCO[C@@H](CC[NH+](C)C)CNC(=O)C1([NH+](C)C)CCCC1 ZINC001362470105 971309899 /nfs/dbraw/zinc/30/98/99/971309899.db2.gz KROAVSLHTRGPHP-AWEZNQCLSA-N 2 0 299.459 1.334 10 0 CDAERP CC[NH2+][C@@H]1CC[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001479495568 971332317 /nfs/dbraw/zinc/33/23/17/971332317.db2.gz QFMVUJYKKREWPT-LSDHHAIUSA-N 2 0 281.444 1.757 10 0 CDAERP C[C@@H]1CN(C(=O)c2ccc(CN(C)C)o2)C[C@H](C)N1C ZINC001362526772 971372395 /nfs/dbraw/zinc/37/23/95/971372395.db2.gz ZHCBHEVFTRPKOD-TXEJJXNPSA-N 2 0 279.384 1.506 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001479953740 971505873 /nfs/dbraw/zinc/50/58/73/971505873.db2.gz YNNFDZGJELXCPV-ONILBQQISA-N 2 0 293.455 1.873 10 0 CDAERP CC[N@@H+]1CCCN(C(=O)C2([NH+](C)C)CCCC2)[C@@H](C)C1 ZINC001362806870 971633095 /nfs/dbraw/zinc/63/30/95/971633095.db2.gz MSXBPVSVYMQBQZ-AWEZNQCLSA-N 2 0 281.444 1.804 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001480238647 971641450 /nfs/dbraw/zinc/64/14/50/971641450.db2.gz WKPWJAFEGMCARM-OKILXGFUSA-N 2 0 269.433 1.610 10 0 CDAERP C[NH+](C)CCCC(=O)N1CCC[C@@H](C[NH2+]CCCF)C1 ZINC001480293891 971661683 /nfs/dbraw/zinc/66/16/83/971661683.db2.gz VUEQNGNGJTXMNM-AWEZNQCLSA-N 2 0 287.423 1.516 10 0 CDAERP C[C@@H](C[NH2+]CCF)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001569087194 1169637602 /nfs/dbraw/zinc/63/76/02/1169637602.db2.gz XXHOOIZKJYWYCI-LBPRGKRZSA-N 2 0 281.375 1.426 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001569096984 1169643117 /nfs/dbraw/zinc/64/31/17/1169643117.db2.gz GKYRFCNDAANWPN-STQMWFEESA-N 2 0 255.406 1.223 10 0 CDAERP C[C@H](CNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH2+]CC1CCCC1 ZINC001480579140 971793870 /nfs/dbraw/zinc/79/38/70/971793870.db2.gz CKDZLBSZPVLNIU-PBHICJAKSA-N 2 0 293.455 1.757 10 0 CDAERP Cc1cc(C[NH2+][C@H](C)CNC(=O)C[N@H+](C)C(C)C)cs1 ZINC001480597472 971799637 /nfs/dbraw/zinc/79/96/37/971799637.db2.gz PWASMGFOLTVXAS-GFCCVEGCSA-N 2 0 297.468 1.991 10 0 CDAERP CC(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001480624338 971814084 /nfs/dbraw/zinc/81/40/84/971814084.db2.gz JZGCANVKVGSSJB-KGLIPLIRSA-N 2 0 267.417 1.175 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001363109454 971895114 /nfs/dbraw/zinc/89/51/14/971895114.db2.gz NXKQCSFAUITMIQ-SOUVJXGZSA-N 2 0 283.460 1.953 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1CC[C@H](C)F ZINC001493149842 971963036 /nfs/dbraw/zinc/96/30/36/971963036.db2.gz RJCZRGPWXHMWDX-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP CC1(C[NH+]2CCC(O)(C[NH+]3CCCCC3)CC2)COC1 ZINC001363852654 953918429 /nfs/dbraw/zinc/91/84/29/953918429.db2.gz PYEFBQYGCKNXAM-UHFFFAOYSA-N 2 0 282.428 1.336 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001493230776 971990854 /nfs/dbraw/zinc/99/08/54/971990854.db2.gz STBNJBDYFDPUMI-HNNXBMFYSA-N 2 0 295.471 1.812 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)[C@@H]([NH3+])C1CCCCC1 ZINC001326904767 954608955 /nfs/dbraw/zinc/60/89/55/954608955.db2.gz ACJQVKSHZLKVCG-HNNXBMFYSA-N 2 0 283.460 1.988 10 0 CDAERP CC(C)=CC[N@@H+](C)CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001327277455 954808157 /nfs/dbraw/zinc/80/81/57/954808157.db2.gz RBLDYPGLCSZFNX-UHFFFAOYSA-N 2 0 293.455 1.829 10 0 CDAERP [NH3+]C[C@H](NC(=O)[C@H]1CCCC[C@@H]1[NH3+])C1CCCCC1 ZINC001327918782 955114324 /nfs/dbraw/zinc/11/43/24/955114324.db2.gz VRJRQUMNDJLWAV-IHRRRGAJSA-N 2 0 267.417 1.528 10 0 CDAERP C[NH+]1CCC(C(=O)N2CCC(C)([NH2+]CCCF)CC2)CC1 ZINC001328018817 955161036 /nfs/dbraw/zinc/16/10/36/955161036.db2.gz ZRVOGJPHNXLXPE-UHFFFAOYSA-N 2 0 299.434 1.659 10 0 CDAERP C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H]2CCCC[C@H]2[NH3+])C[C@H](C)O1 ZINC001328590579 955362879 /nfs/dbraw/zinc/36/28/79/955362879.db2.gz AWEUMXSDOCJFTL-LXTVHRRPSA-N 2 0 297.443 1.119 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](C)CN2CCOCC2)[C@@H](C)C1 ZINC001421577312 955418481 /nfs/dbraw/zinc/41/84/81/955418481.db2.gz FMDXUGKULKYHOT-ULQDDVLXSA-N 2 0 297.487 1.617 10 0 CDAERP CCOCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001491897644 955498594 /nfs/dbraw/zinc/49/85/94/955498594.db2.gz YTYQBTPPHJIMKX-HUUCEWRRSA-N 2 0 299.459 1.380 10 0 CDAERP Cc1nc(C[NH2+]C[C@@H](C)CNC(=O)CC[NH+](C)C)cs1 ZINC001421739736 955516992 /nfs/dbraw/zinc/51/69/92/955516992.db2.gz IIUSWDOUGFLDLO-LLVKDONJSA-N 2 0 298.456 1.245 10 0 CDAERP Cc1cccc(C[NH2+]C[C@@H](C)CNC(=O)CC[NH+](C)C)c1 ZINC001421745826 955518670 /nfs/dbraw/zinc/51/86/70/955518670.db2.gz QGCWPQXQGPMNLR-OAHLLOKOSA-N 2 0 291.439 1.789 10 0 CDAERP CC[N@H+](C)[C@H](C(=O)N(C)CC[NH2+]CCF)c1ccccc1 ZINC001493759126 972111244 /nfs/dbraw/zinc/11/12/44/972111244.db2.gz FKRHPCMSDUCQRT-HNNXBMFYSA-N 2 0 295.402 1.697 10 0 CDAERP C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)[NH2+]CCCF ZINC001329111273 955695322 /nfs/dbraw/zinc/69/53/22/955695322.db2.gz RGLYVVCAMCGPRJ-NWDGAFQWSA-N 2 0 273.396 1.171 10 0 CDAERP CC[C@H](F)C[N@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001329533572 955973129 /nfs/dbraw/zinc/97/31/29/955973129.db2.gz XFUYGVLCNWPWFC-RYUDHWBXSA-N 2 0 261.385 1.123 10 0 CDAERP CC/C=C\CC[NH2+][C@@H](C)CNC(=O)Cc1c[nH]cn1 ZINC001317273640 956014620 /nfs/dbraw/zinc/01/46/20/956014620.db2.gz YSKRLMUHDPINSN-RXNFCKPNSA-N 2 0 264.373 1.403 10 0 CDAERP C[C@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001422534380 956124738 /nfs/dbraw/zinc/12/47/38/956124738.db2.gz FEEVEHROZMDIAB-TZMCWYRMSA-N 2 0 281.444 1.611 10 0 CDAERP CC[NH2+]CCc1ccc(CNC(=O)C[NH+]2CCCC2)cc1 ZINC001317374198 956234642 /nfs/dbraw/zinc/23/46/42/956234642.db2.gz JMNWLIKUGLQAPP-UHFFFAOYSA-N 2 0 289.423 1.551 10 0 CDAERP CC(C)CC[N@H+](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001422824357 956390533 /nfs/dbraw/zinc/39/05/33/956390533.db2.gz PDYLWWMGQHCTKZ-AWEZNQCLSA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@@H](C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001422855756 956408451 /nfs/dbraw/zinc/40/84/51/956408451.db2.gz KARLVVMUFQVUJO-FPCVCCKLSA-N 2 0 295.471 1.667 10 0 CDAERP C[C@@H](C[N@H+](C)CC1CCC1)NC(=O)[C@H]1CCCC[NH+]1C ZINC001422864145 956411540 /nfs/dbraw/zinc/41/15/40/956411540.db2.gz SNINZFXHQFYXOK-DZGCQCFKSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001422917101 956446901 /nfs/dbraw/zinc/44/69/01/956446901.db2.gz JUAGOEXPWJSOKQ-IHRRRGAJSA-N 2 0 287.423 1.559 10 0 CDAERP C[NH+](C)CCC(=O)N1CCCC[C@@H]1C[NH2+]CC1CCC1 ZINC001366214024 956641397 /nfs/dbraw/zinc/64/13/97/956641397.db2.gz CCETVRMIQKKMBL-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP C[N@H+](CC(=O)NCC1([NH2+]CC2CCCC2)CC1)C1CCC1 ZINC001423232101 956680196 /nfs/dbraw/zinc/68/01/96/956680196.db2.gz TYVSJLHUNQMUDH-UHFFFAOYSA-N 2 0 293.455 1.899 10 0 CDAERP CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001423356653 956736129 /nfs/dbraw/zinc/73/61/29/956736129.db2.gz IDFSFUCEKOKJKQ-QLFBSQMISA-N 2 0 281.444 1.565 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@]12CCC[C@H]1[NH+](CCF)CC2 ZINC001423367054 956743470 /nfs/dbraw/zinc/74/34/70/956743470.db2.gz LFMFOJGLLLNMEI-UKRRQHHQSA-N 2 0 285.407 1.411 10 0 CDAERP CC(C)CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001366424213 956810077 /nfs/dbraw/zinc/81/00/77/956810077.db2.gz BMZOATAQDHKNHN-CVEARBPZSA-N 2 0 295.471 1.907 10 0 CDAERP COCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001424052760 957100991 /nfs/dbraw/zinc/10/09/91/957100991.db2.gz RTCWEZHTSXBWPY-HUUCEWRRSA-N 2 0 297.443 1.040 10 0 CDAERP CC[C@@H](F)C[N@H+](CC)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001316898569 957106664 /nfs/dbraw/zinc/10/66/64/957106664.db2.gz XVKLEEUUOKRUJX-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001366697320 957123794 /nfs/dbraw/zinc/12/37/94/957123794.db2.gz BCIBDYKAYUPHLS-KGLIPLIRSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CCF)CC1 ZINC001424254795 957173234 /nfs/dbraw/zinc/17/32/34/957173234.db2.gz ASUZRQCFUDCXOO-ZDUSSCGKSA-N 2 0 273.396 1.267 10 0 CDAERP COCCCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001317060118 957235831 /nfs/dbraw/zinc/23/58/31/957235831.db2.gz UWZGSUFOKFNLMM-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)NC1CC(C[NH2+]C(C)C)C1 ZINC001424728823 957325014 /nfs/dbraw/zinc/32/50/14/957325014.db2.gz XKPCKMAAHWFQMG-JXQTWKCFSA-N 2 0 287.423 1.559 10 0 CDAERP CCOCC[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001317180091 957325952 /nfs/dbraw/zinc/32/59/52/957325952.db2.gz IHPJVEMTWGFKQL-HNNXBMFYSA-N 2 0 297.443 1.089 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001331995798 957390649 /nfs/dbraw/zinc/39/06/49/957390649.db2.gz GSJDYIXNOGOBQU-UONOGXRCSA-N 3 0 251.418 1.579 10 0 CDAERP CC/C=C/CC[NH2+][C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001317281038 957401176 /nfs/dbraw/zinc/40/11/76/957401176.db2.gz BKDGSWNORVUZHK-MUHKLVGJSA-N 2 0 281.444 1.779 10 0 CDAERP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CCC1 ZINC001317414793 957461394 /nfs/dbraw/zinc/46/13/94/957461394.db2.gz YOICIYGYISPPSI-GXTWGEPZSA-N 2 0 267.417 1.223 10 0 CDAERP CCC(CC)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001425079460 957464528 /nfs/dbraw/zinc/46/45/28/957464528.db2.gz SZXWMKSNVXLNCE-HIFRSBDPSA-N 2 0 283.460 1.811 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@H]1C[NH+](CCOC)CC1(C)C ZINC001425327681 957513659 /nfs/dbraw/zinc/51/36/59/957513659.db2.gz XMVVZTQOZOFENO-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCCCCF)C1 ZINC001317514632 957522840 /nfs/dbraw/zinc/52/28/40/957522840.db2.gz CMEYQFSCUOSMOF-CABCVRRESA-N 2 0 299.434 1.659 10 0 CDAERP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2[C@@H](C)COC[C@H]2C)C1 ZINC001332390975 957544049 /nfs/dbraw/zinc/54/40/49/957544049.db2.gz QVHWWFSFOZDVIJ-BARDWOONSA-N 2 0 254.418 1.979 10 0 CDAERP CC1(C)[C@H]([NH2+]C[C@@H]2CCC[C@H](O)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC001332421535 957557611 /nfs/dbraw/zinc/55/76/11/957557611.db2.gz QTJWXWKFQXHWAO-QKGCVVFFSA-N 2 0 266.429 1.904 10 0 CDAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]CC1CCC1 ZINC001367287005 957909483 /nfs/dbraw/zinc/90/94/83/957909483.db2.gz JDWWMAWRYSXQKJ-CYBMUJFWSA-N 2 0 279.428 1.224 10 0 CDAERP Cc1nc(C)c(C[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+](C)C)o1 ZINC001367375921 957976556 /nfs/dbraw/zinc/97/65/56/957976556.db2.gz KXMKKEHLGOJPND-LLVKDONJSA-N 2 0 296.415 1.180 10 0 CDAERP CCCCOCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001318240221 957990191 /nfs/dbraw/zinc/99/01/91/957990191.db2.gz IITZXDATENWATA-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CCCCC1 ZINC001367451495 958018587 /nfs/dbraw/zinc/01/85/87/958018587.db2.gz WEQFLPWLFKTUNR-GJZGRUSLSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001367449027 958019502 /nfs/dbraw/zinc/01/95/02/958019502.db2.gz PJYTXFPELSZJHR-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC1CC1 ZINC001318570597 958176789 /nfs/dbraw/zinc/17/67/89/958176789.db2.gz PPHHEXSQSDURIG-OCCSQVGLSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)CC[NH2+]C(C)(C)C ZINC001333288708 958216578 /nfs/dbraw/zinc/21/65/78/958216578.db2.gz IXCJBAKCCBOAHF-CYBMUJFWSA-N 2 0 269.433 1.755 10 0 CDAERP CCc1cnc(CNC[C@@H](C)NC(=O)C[N@H+](C)C(C)C)o1 ZINC001367715197 958244184 /nfs/dbraw/zinc/24/41/84/958244184.db2.gz NPQNOXXUCHRHJM-GFCCVEGCSA-N 2 0 296.415 1.172 10 0 CDAERP CC(C)CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001367810786 958388721 /nfs/dbraw/zinc/38/87/21/958388721.db2.gz ZDIIZHOYJDHVMN-ZBFHGGJFSA-N 2 0 295.471 1.811 10 0 CDAERP C[C@@H](C[NH2+]CCC(C)(C)C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001319435385 958558125 /nfs/dbraw/zinc/55/81/25/958558125.db2.gz CDSSZLMKTACEKO-KBPBESRZSA-N 2 0 283.460 1.953 10 0 CDAERP CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001368228277 958719247 /nfs/dbraw/zinc/71/92/47/958719247.db2.gz KTPAXRZBTSOMTE-BBRMVZONSA-N 2 0 292.427 1.827 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001368436531 958847214 /nfs/dbraw/zinc/84/72/14/958847214.db2.gz JTVHEDKUYGMENB-ZIAGYGMSSA-N 2 0 285.407 1.363 10 0 CDAERP CC[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]C[C@@H](F)CC ZINC001495050873 972390116 /nfs/dbraw/zinc/39/01/16/972390116.db2.gz RVZZEQWPPYAUPA-UONOGXRCSA-N 2 0 287.423 1.561 10 0 CDAERP C[C@@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]CC1CC(C)C1 ZINC001368747476 959104044 /nfs/dbraw/zinc/10/40/44/959104044.db2.gz HHLJHDMVWWNXMB-SLTAFYQDSA-N 2 0 281.444 1.613 10 0 CDAERP CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001320643087 959289592 /nfs/dbraw/zinc/28/95/92/959289592.db2.gz CPCFRQTXLIQKAM-CHWSQXEVSA-N 2 0 255.406 1.365 10 0 CDAERP COCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001368956437 959324844 /nfs/dbraw/zinc/32/48/44/959324844.db2.gz AAIBMFSZYRVTOW-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP CCN(CC[NH2+]CCC(F)(F)F)C(=O)[C@H]1CCC[N@@H+]1C ZINC001320694115 959334037 /nfs/dbraw/zinc/33/40/37/959334037.db2.gz BJJDITMTMILHGY-LLVKDONJSA-N 2 0 295.349 1.471 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1[C@H]2C[NH+](CCC3CC3)C[C@H]21 ZINC001369145007 959485642 /nfs/dbraw/zinc/48/56/42/959485642.db2.gz FFGKETJLZHWEMW-PHZGNYQRSA-N 2 0 293.455 1.421 10 0 CDAERP CC[C@H](C(=O)NC/C=C\C[NH2+]CC1CCOCC1)[NH+](C)C ZINC001321110217 959596891 /nfs/dbraw/zinc/59/68/91/959596891.db2.gz MGDYOULGLFXYTN-IYKSTZQJSA-N 2 0 297.443 1.015 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC/C=C\C[NH2+]CC)C1 ZINC001321208927 959656598 /nfs/dbraw/zinc/65/65/98/959656598.db2.gz LXXBYSKUAYLZEV-GEXIGZQTSA-N 2 0 267.417 1.390 10 0 CDAERP Cc1ncc(C[NH2+]C2CC(N(C)C(=O)CC[NH+](C)C)C2)o1 ZINC001369574772 959771439 /nfs/dbraw/zinc/77/14/39/959771439.db2.gz POZGTNDPZJJCCQ-UHFFFAOYSA-N 2 0 294.399 1.014 10 0 CDAERP CCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001369979130 959946575 /nfs/dbraw/zinc/94/65/75/959946575.db2.gz TVAMDDRSCQFAFQ-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP Cc1ncoc1C[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001370566673 960145790 /nfs/dbraw/zinc/14/57/90/960145790.db2.gz WSMVTSQCMUYBLI-JOCQHMNTSA-N 2 0 294.399 1.060 10 0 CDAERP CCCC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001323111032 960459373 /nfs/dbraw/zinc/45/93/73/960459373.db2.gz ZOAMBTWTQOWIMA-KGLIPLIRSA-N 2 0 267.417 1.223 10 0 CDAERP CN(CC[NH+](C)C)C(=O)c1cccc(CC[NH+](C)C)c1 ZINC001433751093 960582693 /nfs/dbraw/zinc/58/26/93/960582693.db2.gz MEHQCIXWUODTNW-UHFFFAOYSA-N 2 0 277.412 1.424 10 0 CDAERP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+]2CC[C@@H](F)C2)C1 ZINC001433791190 960619044 /nfs/dbraw/zinc/61/90/44/960619044.db2.gz YRHDAGUEAVMTEG-RBSFLKMASA-N 2 0 297.418 1.363 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001418620835 960808492 /nfs/dbraw/zinc/80/84/92/960808492.db2.gz UIXSCNOTMJQEKV-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CCCCC[NH+]1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001324002782 961104104 /nfs/dbraw/zinc/10/41/04/961104104.db2.gz AQCRMCRFWLJFOC-CQSZACIVSA-N 2 0 281.444 1.661 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CCCF)CCN1C(=O)CCC[NH+](C)C ZINC001324082750 961156612 /nfs/dbraw/zinc/15/66/12/961156612.db2.gz SQTSEISBJWRVJK-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@@H]([NH2+]CCF)[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001419081957 961349506 /nfs/dbraw/zinc/34/95/06/961349506.db2.gz PVARNKHZZRAVIP-ZIAGYGMSSA-N 2 0 297.418 1.411 10 0 CDAERP CC[C@@H](C[NH2+][C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1)OC ZINC001419386369 961645765 /nfs/dbraw/zinc/64/57/65/961645765.db2.gz RWEOQGALPMMIIQ-KKUMJFAQSA-N 2 0 299.459 1.380 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001419420045 961680131 /nfs/dbraw/zinc/68/01/31/961680131.db2.gz WALOKGSVXAERDH-SHTZXODSSA-N 2 0 293.386 1.514 10 0 CDAERP CC[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C(C)C)[NH+](C)C ZINC001419463163 961734971 /nfs/dbraw/zinc/73/49/71/961734971.db2.gz OYXYDKPJOCXFHQ-JALIKCBVSA-N 2 0 281.444 1.847 10 0 CDAERP C[C@@H]([NH2+]CCC1CC1)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001419835101 962144320 /nfs/dbraw/zinc/14/43/20/962144320.db2.gz TYTOBTNCOQBVDZ-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccccc1 ZINC001419899348 962213619 /nfs/dbraw/zinc/21/36/19/962213619.db2.gz IJSLZVYNIDYAFL-INIZCTEOSA-N 2 0 291.439 1.869 10 0 CDAERP CC(C)[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC1CC1 ZINC001419932639 962252982 /nfs/dbraw/zinc/25/29/82/962252982.db2.gz BSYPNIPEQSJSLY-CQSZACIVSA-N 2 0 279.428 1.223 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001419987778 962334660 /nfs/dbraw/zinc/33/46/60/962334660.db2.gz FOHQBJZJZYGTRI-QLFBSQMISA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@H](C)C[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001436829900 962443483 /nfs/dbraw/zinc/44/34/83/962443483.db2.gz SCZXCBNEYLJVLK-ZFWWWQNUSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC[C@H]2CCCO2)C1 ZINC001436933967 962505549 /nfs/dbraw/zinc/50/55/49/962505549.db2.gz GMYHIEHVWGYWCY-RBSFLKMASA-N 2 0 297.443 1.133 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001436976447 962538865 /nfs/dbraw/zinc/53/88/65/962538865.db2.gz ILJHIZAACMHVAV-RTBFPQRFSA-N 2 0 299.846 1.850 10 0 CDAERP CC[NH2+]C1CCC(NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001437088848 962596472 /nfs/dbraw/zinc/59/64/72/962596472.db2.gz KSXOAPHYPRVETC-YMAMQOFZSA-N 2 0 281.444 1.898 10 0 CDAERP C[C@H](C[NH2+]CC1CCC1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001420316738 962729148 /nfs/dbraw/zinc/72/91/48/962729148.db2.gz UBSQMILKMAUROE-UKRRQHHQSA-N 2 0 281.444 1.755 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+]Cc1cnc(C)s1 ZINC001437248986 962767850 /nfs/dbraw/zinc/76/78/50/962767850.db2.gz RGOCKGJBUUZFRS-LLVKDONJSA-N 2 0 298.456 1.388 10 0 CDAERP C[NH+](C)C1(C(=O)NC[C@H]2CCC[N@@H+]2CCC2CC2)CCC1 ZINC001420465987 962944262 /nfs/dbraw/zinc/94/42/62/962944262.db2.gz CZTHNMMRSPSIGJ-OAHLLOKOSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001437540641 963007852 /nfs/dbraw/zinc/00/78/52/963007852.db2.gz DRYJGRHWMZTEKN-CHWSQXEVSA-N 2 0 273.396 1.124 10 0 CDAERP CC(C)[N@H+](CCNC(=O)COC1CC[NH+](C)CC1)C1CC1 ZINC001420691953 963184085 /nfs/dbraw/zinc/18/40/85/963184085.db2.gz AGJUIGVYAGCGNN-UHFFFAOYSA-N 2 0 297.443 1.086 10 0 CDAERP CCCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001420826557 963282768 /nfs/dbraw/zinc/28/27/68/963282768.db2.gz KYKQEGWBYBHALY-MRXNPFEDSA-N 2 0 293.455 1.805 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001420854135 963305807 /nfs/dbraw/zinc/30/58/07/963305807.db2.gz NANRNWBFFNIRAV-GOEBONIOSA-N 2 0 293.455 1.565 10 0 CDAERP CCCC[N@@H+]1CC[C@@H](CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001420895059 963336322 /nfs/dbraw/zinc/33/63/22/963336322.db2.gz SBSSJQQRHUNHRC-CVEARBPZSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001438441521 963448674 /nfs/dbraw/zinc/44/86/74/963448674.db2.gz VMCXRYMUZJDHEM-MGPQQGTHSA-N 2 0 287.423 1.703 10 0 CDAERP C[NH+](C)CCC(=O)NCC1C[NH+](Cc2ccsc2)C1 ZINC001421177075 963485388 /nfs/dbraw/zinc/48/53/88/963485388.db2.gz XXCFXBWDOJDIEX-UHFFFAOYSA-N 2 0 281.425 1.248 10 0 CDAERP CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001438767581 963546471 /nfs/dbraw/zinc/54/64/71/963546471.db2.gz IOLJIZDFJJDMCO-LSDHHAIUSA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH+](C)CC1CCOCC1 ZINC001438939211 963607515 /nfs/dbraw/zinc/60/75/15/963607515.db2.gz SKLBLKKCVXNGBR-UHFFFAOYSA-N 2 0 299.459 1.143 10 0 CDAERP C[C@@H](C[N@H+](C)Cc1cccnc1)NC(=O)[C@@H]1CCC[NH+]1C ZINC001439312617 963716994 /nfs/dbraw/zinc/71/69/94/963716994.db2.gz MUTGHDCZIZMALL-ZFWWWQNUSA-N 2 0 290.411 1.112 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@](C)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001439874337 963886585 /nfs/dbraw/zinc/88/65/85/963886585.db2.gz XAGXVXNCJKWRBE-GOEBONIOSA-N 2 0 281.444 1.565 10 0 CDAERP CO[C@H](C)C[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001440736484 964152392 /nfs/dbraw/zinc/15/23/92/964152392.db2.gz RVAJLZWSLHHZIQ-HUUCEWRRSA-N 2 0 297.443 1.040 10 0 CDAERP CCCC[C@H](C[NH2+]CC(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001441137962 964382696 /nfs/dbraw/zinc/38/26/96/964382696.db2.gz POMJBHBKWMJSKI-HUUCEWRRSA-N 2 0 283.460 1.859 10 0 CDAERP C[N@H+](CCCF)C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001441386490 964491224 /nfs/dbraw/zinc/49/12/24/964491224.db2.gz GYXPKBTXVGUGOA-AWEZNQCLSA-N 2 0 299.434 1.611 10 0 CDAERP COC[C@H](C)[NH2+][C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001441420773 964507488 /nfs/dbraw/zinc/50/74/88/964507488.db2.gz ORRRIUBBXNYDTR-RRFJBIMHSA-N 2 0 299.459 1.236 10 0 CDAERP CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@@H]21 ZINC001441871316 964758426 /nfs/dbraw/zinc/75/84/26/964758426.db2.gz MNMVELOAYTZWMB-QLFBSQMISA-N 2 0 281.444 1.565 10 0 CDAERP CC[N@H+](CCNC(=O)CCc1c[nH]cn1)CC1CCCC1 ZINC001442683067 965174428 /nfs/dbraw/zinc/17/44/28/965174428.db2.gz WCQBJLLCIMPDST-UHFFFAOYSA-N 2 0 292.427 1.971 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001442864784 965252109 /nfs/dbraw/zinc/25/21/09/965252109.db2.gz NQRUOUVZFDGBIE-CABCVRRESA-N 2 0 281.444 1.707 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)NCC[C@@H]1CC[N@H+](CC)C1 ZINC001443248939 965412718 /nfs/dbraw/zinc/41/27/18/965412718.db2.gz JBLFTNRYDGRISX-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N(C)CC[NH+]1CCCC1 ZINC001443245736 965414789 /nfs/dbraw/zinc/41/47/89/965414789.db2.gz ZGIFGZAPNACYNC-CYBMUJFWSA-N 2 0 255.406 1.128 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC(C[N@H+](C)CCCF)CC1 ZINC001443365520 965453477 /nfs/dbraw/zinc/45/34/77/965453477.db2.gz SBHRNGJLNNRYSR-UHFFFAOYSA-N 2 0 287.423 1.468 10 0 CDAERP CCN1CC[C@@H]1C(=O)NCC[N@H+](C)C1CCCC1 ZINC001443778912 965603548 /nfs/dbraw/zinc/60/35/48/965603548.db2.gz VYUYSAQTEPMDPR-CYBMUJFWSA-N 2 0 253.390 1.071 10 0 CDAERP CC/C=C\CC[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001569418966 1169873101 /nfs/dbraw/zinc/87/31/01/1169873101.db2.gz NCARINNLABEGSY-XVWMLYKFSA-N 2 0 293.455 1.923 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001444249107 965768678 /nfs/dbraw/zinc/76/86/78/965768678.db2.gz SCAPXBMTOSNWNK-ZNMIVQPWSA-N 2 0 299.434 1.799 10 0 CDAERP CC1CC(C[NH2+]C[C@H]2CCCN2C(=O)CC[NH+](C)C)C1 ZINC001446450138 966547733 /nfs/dbraw/zinc/54/77/33/966547733.db2.gz ZFUQBEIWWHKLDP-YMAMQOFZSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@@H](C(=O)NCC1([NH2+]CC(C)C)CCOCC1)[NH+](C)C ZINC001446728380 966624886 /nfs/dbraw/zinc/62/48/86/966624886.db2.gz SPSMQFYTBGYHMA-AWEZNQCLSA-N 2 0 299.459 1.238 10 0 CDAERP CS[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@@H]1[NH+](C)C ZINC001447101234 966698269 /nfs/dbraw/zinc/69/82/69/966698269.db2.gz JHZBLOCKKMDRCS-XUXIUFHCSA-N 2 0 299.484 1.221 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cnoc1C ZINC001447908338 966925937 /nfs/dbraw/zinc/92/59/37/966925937.db2.gz AKGXFYAXMXGAGP-NWDGAFQWSA-N 2 0 296.415 1.308 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)CC1CC1 ZINC001448081630 966989900 /nfs/dbraw/zinc/98/99/00/966989900.db2.gz QPSXGODFWUNYCU-YDHLFZDLSA-N 2 0 281.444 1.563 10 0 CDAERP CC(C)[C@@H](O)C[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001460945934 969571044 /nfs/dbraw/zinc/57/10/44/969571044.db2.gz PQNSNBBBEWLVLW-HNNXBMFYSA-N 2 0 284.444 1.316 10 0 CDAERP CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)C(C)(C)C1 ZINC001472057805 970555550 /nfs/dbraw/zinc/55/55/50/970555550.db2.gz DQXYOUZARMLTBR-HZSPNIEDSA-N 2 0 281.444 1.706 10 0 CDAERP CC(C)(C(=O)N1CC[C@H]([NH2+]C/C=C\Cl)C1)[NH+]1CCCC1 ZINC001371521584 972539931 /nfs/dbraw/zinc/53/99/31/972539931.db2.gz PKJTZWUDDVFGHK-VGVVRCBHSA-N 2 0 299.846 1.804 10 0 CDAERP CC1CCC(C[N@H+](C)CCNC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001372217831 972849513 /nfs/dbraw/zinc/84/95/13/972849513.db2.gz HQFTYCQUAFVGLU-UYSNPLJNSA-N 2 0 295.471 1.812 10 0 CDAERP CC(C)C[NH+]1CCC(NC(=O)[C@H](C)CC[NH+](C)C)CC1 ZINC001417634269 973218935 /nfs/dbraw/zinc/21/89/35/973218935.db2.gz WUPQBBFPYGBSFM-CQSZACIVSA-N 2 0 283.460 1.811 10 0 CDAERP CC[NH2+]CC[C@@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001497228555 973253566 /nfs/dbraw/zinc/25/35/66/973253566.db2.gz LGPRSXCXJANNCG-GFCCVEGCSA-N 2 0 287.367 1.385 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CC[NH2+]CC1CCC1 ZINC001497329305 973288241 /nfs/dbraw/zinc/28/82/41/973288241.db2.gz AQHOMUGWZIQEAH-ZDUSSCGKSA-N 2 0 269.433 1.611 10 0 CDAERP CCN(CC[NH2+]CCC1CC1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001497439094 973350302 /nfs/dbraw/zinc/35/03/02/973350302.db2.gz LDTSWUQOXQQDHT-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001497764051 973489647 /nfs/dbraw/zinc/48/96/47/973489647.db2.gz NPJNSJZHQLUBNO-FWWRYZNZSA-N 2 0 253.390 1.143 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]CC(C)C)C1)[NH+](C)C ZINC001418132398 973603472 /nfs/dbraw/zinc/60/34/72/973603472.db2.gz HYSGPQIRNZAGBM-LSDHHAIUSA-N 2 0 283.460 1.811 10 0 CDAERP CCc1nocc1C[NH2+][C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001418315816 973744635 /nfs/dbraw/zinc/74/46/35/973744635.db2.gz YYERAVYAAGGSLZ-GFCCVEGCSA-N 2 0 296.415 1.172 10 0 CDAERP C[C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cncs1 ZINC001418396550 973797877 /nfs/dbraw/zinc/79/78/77/973797877.db2.gz QPPNYWQKACMPHZ-YPMHNXCESA-N 2 0 296.440 1.222 10 0 CDAERP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+]Cc1ccccc1 ZINC001418421717 973812653 /nfs/dbraw/zinc/81/26/53/973812653.db2.gz MGYNCGGTFFZTDI-CQSZACIVSA-N 2 0 277.412 1.623 10 0 CDAERP C[C@H](F)CC[N@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001498393296 973880679 /nfs/dbraw/zinc/88/06/79/973880679.db2.gz IEHNPGNOFWWEMZ-RYUDHWBXSA-N 2 0 261.385 1.123 10 0 CDAERP CC[C@H](F)C[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001498460032 973896669 /nfs/dbraw/zinc/89/66/69/973896669.db2.gz YARNVLYHHSEMSA-STQMWFEESA-N 2 0 273.396 1.267 10 0 CDAERP C[C@H](C[NH2+]Cc1cccnc1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001374810066 974131605 /nfs/dbraw/zinc/13/16/05/974131605.db2.gz FGJFQUQVIYFYMA-UONOGXRCSA-N 2 0 290.411 1.018 10 0 CDAERP CC(C)[NH2+]C1(CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001499287077 974229485 /nfs/dbraw/zinc/22/94/85/974229485.db2.gz FLWBEBPUPSRKCM-UHFFFAOYSA-N 2 0 299.378 1.528 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC ZINC001375612420 974436305 /nfs/dbraw/zinc/43/63/05/974436305.db2.gz DDKSBMXMJFIVDO-ZNMIVQPWSA-N 2 0 299.434 1.752 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@]1(C)CCC[N@H+](CC2CCC2)C1 ZINC001500518869 974446044 /nfs/dbraw/zinc/44/60/44/974446044.db2.gz HOOKONUVBQWAND-QGZVFWFLSA-N 2 0 295.471 1.957 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CC2CCC2)C1 ZINC001501150590 974542698 /nfs/dbraw/zinc/54/26/98/974542698.db2.gz VEDHRLMBZILWSL-ZBFHGGJFSA-N 2 0 295.471 1.812 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC001376061050 974548346 /nfs/dbraw/zinc/54/83/46/974548346.db2.gz NPJIZNDSMMWJFE-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP CC(C)[NH2+]CCN(CCO)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001501497398 974591105 /nfs/dbraw/zinc/59/11/05/974591105.db2.gz WXDHUCSMZVKLBO-HNNXBMFYSA-N 2 0 299.459 1.068 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001376371108 974643999 /nfs/dbraw/zinc/64/39/99/974643999.db2.gz IPRNZQRGEQZLJF-HDJSIYSDSA-N 2 0 281.444 1.754 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@H]1CCC[N@H+](CC)C1 ZINC001376595816 974693885 /nfs/dbraw/zinc/69/38/85/974693885.db2.gz DIHLVLFFKUUKJB-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP COCCCC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001502134928 974705102 /nfs/dbraw/zinc/70/51/02/974705102.db2.gz CQKSZTPLADYHJI-OAHLLOKOSA-N 2 0 299.459 1.335 10 0 CDAERP Cc1nc(CC[NH2+][C@@H](C)CNC(=O)CC[NH+](C)C)cs1 ZINC001376808862 974779573 /nfs/dbraw/zinc/77/95/73/974779573.db2.gz JPEQKXDRMZKSKK-NSHDSACASA-N 2 0 298.456 1.040 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]([NH2+]C/C=C/Cl)C2)C1 ZINC001377238478 974941034 /nfs/dbraw/zinc/94/10/34/974941034.db2.gz ZPGCLUYLHLFEKX-DZYGNGBISA-N 2 0 299.846 1.661 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001505760735 974985186 /nfs/dbraw/zinc/98/51/86/974985186.db2.gz OLBBJUZQAJTCFN-KGLIPLIRSA-N 2 0 269.433 1.776 10 0 CDAERP CC[C@@H](F)CN1CCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001377399867 975006838 /nfs/dbraw/zinc/00/68/38/975006838.db2.gz PZCAYQCOQKDOBQ-KGLIPLIRSA-N 2 0 299.434 1.799 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H](C)n1ccnc1 ZINC001377405206 975010056 /nfs/dbraw/zinc/01/00/56/975010056.db2.gz NDMUTDIGWYTLNP-UONOGXRCSA-N 2 0 278.400 1.823 10 0 CDAERP CCc1nccn1[C@H](C)CC(=O)NC[C@@H](C)[N@@H+](C)CC ZINC001505921813 975044667 /nfs/dbraw/zinc/04/46/67/975044667.db2.gz ALOMUKOSBYEAJL-CHWSQXEVSA-N 2 0 280.416 1.853 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCC1CCC1 ZINC001378042259 975217936 /nfs/dbraw/zinc/21/79/36/975217936.db2.gz MHGLRSCWAXDFPD-HOTGVXAUSA-N 2 0 293.455 1.804 10 0 CDAERP CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001507000920 975282701 /nfs/dbraw/zinc/28/27/01/975282701.db2.gz HEJYQNBBUNOOHI-KBPBESRZSA-N 2 0 267.417 1.317 10 0 CDAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CC(C)C ZINC001378301237 975324195 /nfs/dbraw/zinc/32/41/95/975324195.db2.gz ZCQMBZFQRMWLSS-KKUMJFAQSA-N 2 0 283.460 1.857 10 0 CDAERP COC[C@H](C)[NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCCC1 ZINC001378383621 975341318 /nfs/dbraw/zinc/34/13/18/975341318.db2.gz PAGHMAFKTRUGJA-AWEZNQCLSA-N 2 0 297.443 1.136 10 0 CDAERP C[N@H+](CC(=O)NC[C@@H]1[C@H]2C[NH+](CCCF)C[C@H]21)C1CCC1 ZINC001378703822 975449224 /nfs/dbraw/zinc/44/92/24/975449224.db2.gz NEYUSXBTYTUTSQ-QKDCVEJESA-N 2 0 297.418 1.124 10 0 CDAERP CC[N@@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)N(C)C)[C@H]1C ZINC001397252873 975515223 /nfs/dbraw/zinc/51/52/23/975515223.db2.gz BBGUEFIKOKKJBL-KBMXLJTQSA-N 2 0 289.423 1.888 10 0 CDAERP CC[C@@H](C)C[NH+]1CC(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001404910285 975536994 /nfs/dbraw/zinc/53/69/94/975536994.db2.gz UQGJNCKBMKSRBY-ZIAGYGMSSA-N 2 0 281.444 1.422 10 0 CDAERP CC(C)[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C(C)C ZINC001401335144 975594154 /nfs/dbraw/zinc/59/41/54/975594154.db2.gz KGDVFNWUOXUQIS-AWEZNQCLSA-N 2 0 283.460 2.000 10 0 CDAERP CC[C@H](C(=O)N(C)CC[N@H+](C)CC[C@H](C)F)[NH+](C)C ZINC001401378105 975631339 /nfs/dbraw/zinc/63/13/39/975631339.db2.gz XYZPDGVMYGLNGD-QWHCGFSZSA-N 2 0 275.412 1.465 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC1CC1 ZINC001379166485 975697236 /nfs/dbraw/zinc/69/72/36/975697236.db2.gz HCSBLJQECQAVEM-GJZGRUSLSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CCC[C@@H](C)O)[C@@H]1C ZINC001397793435 975721776 /nfs/dbraw/zinc/72/17/76/975721776.db2.gz XETLMBXQURDBMW-KFWWJZLASA-N 2 0 299.459 1.067 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001405599445 975780821 /nfs/dbraw/zinc/78/08/21/975780821.db2.gz VJYMEOBBIQWVKW-KFWWJZLASA-N 2 0 283.460 1.953 10 0 CDAERP Cc1ncsc1C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001398340877 975950877 /nfs/dbraw/zinc/95/08/77/975950877.db2.gz XXCAJTNXIFUYIX-GFCCVEGCSA-N 2 0 296.440 1.094 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001401884714 975973665 /nfs/dbraw/zinc/97/36/65/975973665.db2.gz AKVPNTMKCNDNAO-HNNXBMFYSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CCC(C)(C)C)C2)CC[N@@H+]1C ZINC001398494860 976005974 /nfs/dbraw/zinc/00/59/74/976005974.db2.gz YPOSFIIPGSJUAJ-QLFBSQMISA-N 2 0 295.471 1.953 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC[C@H](C)F)C1 ZINC001398534553 976023050 /nfs/dbraw/zinc/02/30/50/976023050.db2.gz GKZQBRSEORLGBF-ZQDZILKHSA-N 2 0 299.434 1.846 10 0 CDAERP C[C@@H](F)CC[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001401945899 976033157 /nfs/dbraw/zinc/03/31/57/976033157.db2.gz DDDHBTWHJSJOGW-TZMCWYRMSA-N 2 0 297.418 1.315 10 0 CDAERP O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@H]([NH2+]CCC2CC2)C1 ZINC001398587030 976057359 /nfs/dbraw/zinc/05/73/59/976057359.db2.gz XRGPJVLUCYFOKS-WKILWMFISA-N 2 0 293.455 1.899 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001389956933 976062825 /nfs/dbraw/zinc/06/28/25/976062825.db2.gz IJXKUFDYIOCFBN-APIJFGDWSA-N 2 0 299.434 1.846 10 0 CDAERP CC[C@H](F)C[N@@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001390063421 976110230 /nfs/dbraw/zinc/11/02/30/976110230.db2.gz KNMHOKJDWLOHJI-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@H](F)CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001380068928 976226227 /nfs/dbraw/zinc/22/62/27/976226227.db2.gz VYTDKHQFAQWKCK-RYUDHWBXSA-N 2 0 271.380 1.067 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001399111564 976344298 /nfs/dbraw/zinc/34/42/98/976344298.db2.gz LPLNZWFOMVNPKZ-CABCVRRESA-N 2 0 299.459 1.095 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001399244377 976389968 /nfs/dbraw/zinc/38/99/68/976389968.db2.gz ZTONIYLONOOZIE-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CCCF)C1)[NH+](C)C ZINC001390632098 976400389 /nfs/dbraw/zinc/40/03/89/976400389.db2.gz WNUQEPHWMRTTQM-ZIAGYGMSSA-N 2 0 287.423 1.609 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cscn2)C1 ZINC001402629336 976407778 /nfs/dbraw/zinc/40/77/78/976407778.db2.gz RSOAPIRQZJNKFQ-TXEJJXNPSA-N 2 0 296.440 1.222 10 0 CDAERP CCC[N@@H+]1CCC[C@@](C)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001380486592 976431225 /nfs/dbraw/zinc/43/12/25/976431225.db2.gz VCBBUDISMPXGHV-INIZCTEOSA-N 2 0 293.455 1.711 10 0 CDAERP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CC(C)(C)C1 ZINC001402855933 976540340 /nfs/dbraw/zinc/54/03/40/976540340.db2.gz DZTRMPIFNRMMMJ-DZGCQCFKSA-N 2 0 295.471 1.859 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC1CC(C[NH2+]CC2CC2)C1 ZINC001402919519 976590341 /nfs/dbraw/zinc/59/03/41/976590341.db2.gz GWYBHVRKQKRGCB-UYSNPLJNSA-N 2 0 293.455 1.755 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)CC[C@@H](C)F ZINC001390915344 976602416 /nfs/dbraw/zinc/60/24/16/976602416.db2.gz PAQWCGHURCMGOY-JHJVBQTASA-N 2 0 296.390 1.699 10 0 CDAERP CC[C@H](C(=O)N1CCC(C)([NH2+]CCO)CC1)[NH+](CC)CC ZINC001381128755 976686199 /nfs/dbraw/zinc/68/61/99/976686199.db2.gz SUKSPWJBZUKHFL-CQSZACIVSA-N 2 0 299.459 1.070 10 0 CDAERP CC[N@H+](CCNC(=O)C1([NH+](C)C)CCC1)CC[C@@H](C)F ZINC001492965344 976710402 /nfs/dbraw/zinc/71/04/02/976710402.db2.gz KQMFVCKVFRYXPM-CYBMUJFWSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@@H](F)CC[N@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001381305135 976753453 /nfs/dbraw/zinc/75/34/53/976753453.db2.gz YXLUGXCAKBYUNC-KGLIPLIRSA-N 2 0 287.423 1.609 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001399938037 976758915 /nfs/dbraw/zinc/75/89/15/976758915.db2.gz ZQVXTNXFNLSERX-KBPBESRZSA-N 2 0 299.434 1.514 10 0 CDAERP COC[C@@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001403316342 976876384 /nfs/dbraw/zinc/87/63/84/976876384.db2.gz BBAUZVOXDLFDFY-HUUCEWRRSA-N 2 0 297.443 1.040 10 0 CDAERP CC[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1cc(C)on1)[NH+](C)C ZINC001408230294 976969645 /nfs/dbraw/zinc/96/96/45/976969645.db2.gz LHDIHSUXEXEQHL-SMDDNHRTSA-N 2 0 296.415 1.308 10 0 CDAERP CC[C@H](C)C[N@H+](C)C1CCN(C(=O)Cc2ncc[nH]2)CC1 ZINC001403471686 976971628 /nfs/dbraw/zinc/97/16/28/976971628.db2.gz WTDSOISLFSKPBR-ZDUSSCGKSA-N 2 0 292.427 1.921 10 0 CDAERP CC[C@H](C)C[NH+]1CC([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001381821461 977039348 /nfs/dbraw/zinc/03/93/48/977039348.db2.gz SNJHIBWQQBWHBP-UONOGXRCSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CCC(C)(C)C ZINC001391716541 977063933 /nfs/dbraw/zinc/06/39/33/977063933.db2.gz CAVPQIMAPSAFMU-ZDUSSCGKSA-N 2 0 271.449 1.859 10 0 CDAERP C[NH+](C)C1(C(=O)NCC[N@@H+](C)CCC(C)(C)C)CCC1 ZINC001403572438 977071766 /nfs/dbraw/zinc/07/17/66/977071766.db2.gz CAYMVVSKWBDYKV-UHFFFAOYSA-N 2 0 283.460 1.955 10 0 CDAERP CC[NH2+]CC1(NC(=O)CC[C@H]2CCC[N@@H+]2C)CCCC1 ZINC001400913578 977240936 /nfs/dbraw/zinc/24/09/36/977240936.db2.gz IVUGZBJRSPGBAV-CQSZACIVSA-N 2 0 281.444 1.899 10 0 CDAERP CC[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)CC[C@@H](C)F ZINC001403927571 977266858 /nfs/dbraw/zinc/26/68/58/977266858.db2.gz VXIGCURAQIYWIF-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CCC(F)(F)F ZINC001392228493 977273758 /nfs/dbraw/zinc/27/37/58/977273758.db2.gz CWUYPIPCCCACSC-NSHDSACASA-N 2 0 297.365 1.621 10 0 CDAERP CCC[NH+]1CCC([C@H](C)NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001382560787 977308079 /nfs/dbraw/zinc/30/80/79/977308079.db2.gz OATHQIREBCNPAE-ZFWWWQNUSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)C[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001404351391 977419935 /nfs/dbraw/zinc/41/99/35/977419935.db2.gz ZEKHTKXLKRQPFA-ZBFHGGJFSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001392990271 977668484 /nfs/dbraw/zinc/66/84/84/977668484.db2.gz DTWJRTCZUWZJFT-KRWDZBQOSA-N 2 0 295.471 1.909 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[NH+](CCF)C2 ZINC001393368414 977772138 /nfs/dbraw/zinc/77/21/38/977772138.db2.gz NAWOQBNEMGGTLN-MJBXVCDLSA-N 2 0 285.407 1.267 10 0 CDAERP O=C(C[NH+]1CCCC1)NCC1([NH2+]CCC2CC2)CCC1 ZINC001393570776 977841044 /nfs/dbraw/zinc/84/10/44/977841044.db2.gz TYAMJMRRVMPKOC-UHFFFAOYSA-N 2 0 279.428 1.511 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@H](C)[NH2+]CC1CCOCC1 ZINC001394006784 978002202 /nfs/dbraw/zinc/00/22/02/978002202.db2.gz YOADXLURCBADMP-UONOGXRCSA-N 2 0 299.459 1.238 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCF)C[C@H]2C1 ZINC001394351046 978137880 /nfs/dbraw/zinc/13/78/80/978137880.db2.gz QJDMONYWIOCVAO-RRFJBIMHSA-N 2 0 299.434 1.514 10 0 CDAERP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCC(F)(F)F ZINC001394561462 978204436 /nfs/dbraw/zinc/20/44/36/978204436.db2.gz XALBGAXOJGNGFV-GHMZBOCLSA-N 2 0 295.349 1.327 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1C[C@H](C[NH2+]CCCF)C1 ZINC001675832792 1174152179 /nfs/dbraw/zinc/15/21/79/1174152179.db2.gz YXKZMTQCDNVSKZ-KBUPBQIOSA-N 2 0 299.434 1.703 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001676360586 1174214273 /nfs/dbraw/zinc/21/42/73/1174214273.db2.gz UHYVDZRUGIRWAN-AWEZNQCLSA-N 2 0 281.444 1.873 10 0 CDAERP CCCC[NH2+]CC1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001570561477 1170189088 /nfs/dbraw/zinc/18/90/88/1170189088.db2.gz VJCMXOPOCHQQQT-XSCHDIRWSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)[N@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001570731674 1170259532 /nfs/dbraw/zinc/25/95/32/1170259532.db2.gz JXEZPMCGHJXAOK-MJBXVCDLSA-N 2 0 269.433 1.562 10 0 CDAERP CCCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001571401133 1170412937 /nfs/dbraw/zinc/41/29/37/1170412937.db2.gz XRWMXTDRPNWIQV-CHWSQXEVSA-N 2 0 255.406 1.317 10 0 CDAERP CCCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001571580362 1170483364 /nfs/dbraw/zinc/48/33/64/1170483364.db2.gz ONMQATOBZIDYID-CABCVRRESA-N 2 0 299.459 1.068 10 0 CDAERP Cc1cccn2c(C[NH2+]CCC3(C[NH3+])CC3)cnc12 ZINC000650712321 398154785 /nfs/dbraw/zinc/15/47/85/398154785.db2.gz AJKNTVLEZIYXSO-UHFFFAOYSA-N 2 0 258.369 1.861 10 0 CDAERP CCC(=O)N1CCC([NH2+]Cc2ccccc2C[NH2+]C)CC1 ZINC000650719212 398159614 /nfs/dbraw/zinc/15/96/14/398159614.db2.gz HUUOTPCBLGVCGJ-UHFFFAOYSA-N 2 0 289.423 1.897 10 0 CDAERP CCO[C@@H]1C[N@H+](Cc2cccc3c2CCC3)C[C@H]1C[NH3+] ZINC000650714277 398156952 /nfs/dbraw/zinc/15/69/52/398156952.db2.gz XYVWZKLIEBCUGH-NVXWUHKLSA-N 2 0 274.408 1.971 10 0 CDAERP C[N@@H+](Cc1ccc[nH+]c1NN)C[C@H]1CCCOC1 ZINC000082545326 178089238 /nfs/dbraw/zinc/08/92/38/178089238.db2.gz OWMVOGFKJQKTBO-LLVKDONJSA-N 2 0 250.346 1.226 10 0 CDAERP COC(=O)c1ccccc1OCC[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601325237 342553518 /nfs/dbraw/zinc/55/35/18/342553518.db2.gz AZTQTSUCWHWJFR-CHWSQXEVSA-N 2 0 292.379 1.379 10 0 CDAERP c1c[nH]c([C@H]2CCC[N@@H+](CCOC3CCOCC3)C2)n1 ZINC000625251633 342050418 /nfs/dbraw/zinc/05/04/18/342050418.db2.gz FEZRNMWDMZNIOD-ZDUSSCGKSA-N 2 0 279.384 1.785 10 0 CDAERP COC(=O)c1ccc(CN2CC[C@@H]([NH3+])C[C@H]2C)nc1 ZINC000131936643 342069389 /nfs/dbraw/zinc/06/93/89/342069389.db2.gz WZFVQRNDIBEFQD-ZYHUDNBSSA-N 2 0 263.341 1.180 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)CN1CC(C)(C)C1 ZINC000617007212 342603799 /nfs/dbraw/zinc/60/37/99/342603799.db2.gz NTUNOCQUBSLRCK-LBPRGKRZSA-N 2 0 267.417 1.317 10 0 CDAERP c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]CCCN3CC2)cc1 ZINC000096897781 185125694 /nfs/dbraw/zinc/12/56/94/185125694.db2.gz LJIYATLKZIFKJI-INIZCTEOSA-N 2 0 259.397 1.556 10 0 CDAERP COC[C@@H](C)C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000188000550 342173409 /nfs/dbraw/zinc/17/34/09/342173409.db2.gz RHHKTKWUJNQZNU-UONOGXRCSA-N 2 0 270.417 1.359 10 0 CDAERP C[C@@H]1C[C@]2(C[NH+]=C(N)N2Cc2ccccc2)CC[N@@H+]1C ZINC000157229253 342188939 /nfs/dbraw/zinc/18/89/39/342188939.db2.gz VCVWUGPVFUTDQG-CJNGLKHVSA-N 2 0 272.396 1.670 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000629398186 361930109 /nfs/dbraw/zinc/93/01/09/361930109.db2.gz OJGUDBCJUUJART-UHFFFAOYSA-N 2 0 292.358 1.671 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000629399557 361936890 /nfs/dbraw/zinc/93/68/90/361936890.db2.gz URDXXFVJWROKAY-UHFFFAOYSA-N 2 0 274.368 1.327 10 0 CDAERP [NH3+]CCCOCC[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000629400511 361937987 /nfs/dbraw/zinc/93/79/87/361937987.db2.gz ZTYIZQJCNKNAHI-UHFFFAOYSA-N 2 0 297.365 1.358 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000333446710 539052069 /nfs/dbraw/zinc/05/20/69/539052069.db2.gz WWLBDXALRWPJLX-RBSFLKMASA-N 2 0 296.459 1.547 10 0 CDAERP CC(C)(C)OC(=O)N[C@H]1C[NH2+]CC[C@@H]1C1CC[NH2+]CC1 ZINC000669385050 539072626 /nfs/dbraw/zinc/07/26/26/539072626.db2.gz VLTPSFFMAYCCTP-OLZOCXBDSA-N 2 0 283.416 1.489 10 0 CDAERP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC2([NH3+])CCOCC2)[C@H]1C ZINC000600708166 342243203 /nfs/dbraw/zinc/24/32/03/342243203.db2.gz JHWYWYONIJZINK-RWMBFGLXSA-N 2 0 284.400 1.062 10 0 CDAERP CCOC(=O)[C@@H](CC)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600745976 342247465 /nfs/dbraw/zinc/24/74/65/342247465.db2.gz RKXUWAOKYAEHLH-BNOWGMLFSA-N 2 0 254.374 1.260 10 0 CDAERP NC(=O)C1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000156007541 539098489 /nfs/dbraw/zinc/09/84/89/539098489.db2.gz OUNOUJZMZLXQOI-CLRIEMFWSA-N 2 0 265.401 1.247 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)c1ccc(C[NH+](C)C)nc1 ZINC000622370093 342275337 /nfs/dbraw/zinc/27/53/37/342275337.db2.gz MQBOBEQSLOOEIB-UHFFFAOYSA-N 2 0 278.400 1.213 10 0 CDAERP FCCC[NH+]1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000626070304 342298188 /nfs/dbraw/zinc/29/81/88/342298188.db2.gz HTURGNAINYOOGX-UHFFFAOYSA-N 2 0 271.424 1.840 10 0 CDAERP C[C@@H](CSCCF)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000595040778 342998309 /nfs/dbraw/zinc/99/83/09/342998309.db2.gz XBNYGACKRYNTDB-ZDUSSCGKSA-N 2 0 291.480 1.693 10 0 CDAERP COc1cncc(C[NH+]2CCC([C@H](C)[NH3+])CC2)n1 ZINC000629512351 362123932 /nfs/dbraw/zinc/12/39/32/362123932.db2.gz RGIVZAZWDWSNOD-JTQLQIEISA-N 2 0 250.346 1.044 10 0 CDAERP Nc1nc(N2CC[NH+](CC3CC3)CC2)c2c([nH+]1)CCCC2 ZINC000645129875 362142796 /nfs/dbraw/zinc/14/27/96/362142796.db2.gz CRZZRZFVFLNXQG-UHFFFAOYSA-N 2 0 287.411 1.300 10 0 CDAERP CC(C)CO[C@@H]1C[C@@H]([NH2+]CC2([NH3+])CCOCC2)C1(C)C ZINC000629524114 362144935 /nfs/dbraw/zinc/14/49/35/362144935.db2.gz LPQJILBEVQMQAB-ZIAGYGMSSA-N 2 0 284.444 1.924 10 0 CDAERP CCC1(CC)[C@H]([NH2+]CC2([NH3+])CCOCC2)C[C@@H]1OC ZINC000629523810 362140012 /nfs/dbraw/zinc/14/00/12/362140012.db2.gz JNSGDRNYVPFUNI-OLZOCXBDSA-N 2 0 270.417 1.678 10 0 CDAERP C[NH+](C)CCC(CC[NH+](C)C)(C(N)=O)c1ccccc1 ZINC000031622965 342403070 /nfs/dbraw/zinc/40/30/70/342403070.db2.gz GAMSVHKCGRVPPR-UHFFFAOYSA-N 2 0 277.412 1.313 10 0 CDAERP CCc1c[nH]c(CC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2CC)n1 ZINC000635630499 362217046 /nfs/dbraw/zinc/21/70/46/362217046.db2.gz OJBMOARUUGYGGM-ZIAGYGMSSA-N 2 0 290.411 1.600 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@@H](C)CC ZINC000354938606 365789569 /nfs/dbraw/zinc/78/95/69/365789569.db2.gz QDPILFHJYNSMQS-KBPBESRZSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC000250517013 349862205 /nfs/dbraw/zinc/86/22/05/349862205.db2.gz QYBJTFRMIOCXAB-CABCVRRESA-N 2 0 296.459 1.500 10 0 CDAERP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000246574477 343964053 /nfs/dbraw/zinc/96/40/53/343964053.db2.gz VEIJLMMIXRLWBY-RBSFLKMASA-N 2 0 281.444 1.742 10 0 CDAERP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C(C)(C)C[NH3+] ZINC000251845262 344059675 /nfs/dbraw/zinc/05/96/75/344059675.db2.gz QWYOQKRKLLBTOZ-RYUDHWBXSA-N 2 0 253.390 1.057 10 0 CDAERP CC(C)[C@@H](C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[NH+](C)C ZINC000600092555 344175868 /nfs/dbraw/zinc/17/58/68/344175868.db2.gz LEGWRPOSQIUFRQ-AWEZNQCLSA-N 2 0 287.367 1.792 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000140048984 344386057 /nfs/dbraw/zinc/38/60/57/344386057.db2.gz PQPIYAWOZPPLDU-UONOGXRCSA-N 2 0 294.443 1.397 10 0 CDAERP Cc1ncc(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cn1 ZINC000602278713 344389831 /nfs/dbraw/zinc/38/98/31/344389831.db2.gz YRQYUKHQGFIVBM-OAHLLOKOSA-N 2 0 289.427 1.043 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC000079519717 362662156 /nfs/dbraw/zinc/66/21/56/362662156.db2.gz NNTHHCJOSFYWBF-AWEZNQCLSA-N 2 0 253.390 1.119 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)[C@@]2(C)CCC[NH2+]2)CC1 ZINC000079518419 362660692 /nfs/dbraw/zinc/66/06/92/362660692.db2.gz GJAUNQSDIMRYOR-MRXNPFEDSA-N 2 0 281.444 1.709 10 0 CDAERP CCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CC[N@H+](C)C1 ZINC000617556050 345847947 /nfs/dbraw/zinc/84/79/47/345847947.db2.gz IULMMOCUFBWJIQ-INIZCTEOSA-N 2 0 289.423 1.914 10 0 CDAERP CCN(C(=O)C[NH+]1CCC(C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000617553417 345849102 /nfs/dbraw/zinc/84/91/02/345849102.db2.gz IBYZDPBBXJNELO-CQSZACIVSA-N 2 0 267.417 1.271 10 0 CDAERP C[C@@H]1CN(CCC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C[C@@H](C)O1 ZINC000623344987 346072439 /nfs/dbraw/zinc/07/24/39/346072439.db2.gz MDEVPKCUWWXTIT-OAGGEKHMSA-N 2 0 297.487 1.948 10 0 CDAERP C[NH+](C)CCCNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000623366777 346098135 /nfs/dbraw/zinc/09/81/35/346098135.db2.gz IVZIAEQFBCZINP-AWEZNQCLSA-N 2 0 282.432 1.254 10 0 CDAERP CCC(CC)[N@H+](CCOC)C[C@](O)(C[NH3+])C1CC1 ZINC000085301555 179009803 /nfs/dbraw/zinc/00/98/03/179009803.db2.gz GRARGXMUOBFEMU-CQSZACIVSA-N 2 0 258.406 1.223 10 0 CDAERP CCC1(CC)CC[NH+](C[C@](O)(C[NH3+])C2CC2)CC1 ZINC000085303348 179010943 /nfs/dbraw/zinc/01/09/43/179010943.db2.gz SCFYNQNYUSFKRH-OAHLLOKOSA-N 2 0 254.418 1.988 10 0 CDAERP [NH3+]C[C@@](O)(C[NH+]1CCc2ccccc2CC1)C1CC1 ZINC000085302034 179011016 /nfs/dbraw/zinc/01/10/16/179011016.db2.gz XUYCINYFNPVOOB-MRXNPFEDSA-N 2 0 260.381 1.187 10 0 CDAERP C[NH+](C)CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085367177 179037818 /nfs/dbraw/zinc/03/78/18/179037818.db2.gz NUGDKFUXMQSKHJ-CVEARBPZSA-N 2 0 289.423 1.704 10 0 CDAERP C[C@@H](CC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)CC(C)(C)C ZINC000584775213 346429817 /nfs/dbraw/zinc/42/98/17/346429817.db2.gz BLXMXBAYRLJENC-JKSUJKDBSA-N 2 0 299.503 1.647 10 0 CDAERP CC(C)Cc1nc2c(n1CC[NH+]1CCCC1)CC[NH2+]C2 ZINC000085570943 179096340 /nfs/dbraw/zinc/09/63/40/179096340.db2.gz RFZMFNCZCCRGPX-UHFFFAOYSA-N 2 0 276.428 1.823 10 0 CDAERP C[NH+](C)C1CCN(CC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623440119 346758167 /nfs/dbraw/zinc/75/81/67/346758167.db2.gz JNVAKHKCTJWPAP-HNNXBMFYSA-N 3 0 296.503 1.475 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000623446269 346761716 /nfs/dbraw/zinc/76/17/16/346761716.db2.gz XTAHNMNRDIOJGF-UMVBOHGHSA-N 2 0 265.445 1.932 10 0 CDAERP CCC[NH2+][C@H](CCO)CN1CC[NH+](CC(C)C)CC1 ZINC000085922733 179201684 /nfs/dbraw/zinc/20/16/84/179201684.db2.gz CXQJMYXUIXVMNC-OAHLLOKOSA-N 2 0 271.449 1.011 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000417291390 482579616 /nfs/dbraw/zinc/57/96/16/482579616.db2.gz VOLPEKMPJBFDFV-MCIONIFRSA-N 2 0 282.432 1.253 10 0 CDAERP CCC1(CC)CN(C[C@@H]2CCCC[N@@H+]2C)CC[NH2+]1 ZINC000086145836 179239101 /nfs/dbraw/zinc/23/91/01/179239101.db2.gz AJDMPHIRVFRPAL-AWEZNQCLSA-N 2 0 253.434 1.935 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-n3cncn3)cc2)CC[N@@H+]1C ZINC000174516484 365894860 /nfs/dbraw/zinc/89/48/60/365894860.db2.gz RYZACCLNXGPRFQ-ZFWWWQNUSA-N 2 0 285.395 1.840 10 0 CDAERP C[C@H]1C[NH2+][C@@H](C2CC2)CN1C[C@@H]1CCC[N@H+](C)C1 ZINC000086259272 179257861 /nfs/dbraw/zinc/25/78/61/179257861.db2.gz HYYLTGJJDBBLIK-GZBFAFLISA-N 2 0 251.418 1.401 10 0 CDAERP C[NH+]1CC[C@H]([NH2+]CC2=CC[N@H+](C)CC2)CC1(C)C ZINC000623484864 347599240 /nfs/dbraw/zinc/59/92/40/347599240.db2.gz FKEXMEDXPNSHEF-AWEZNQCLSA-N 2 0 251.418 1.711 10 0 CDAERP C[NH+]1CCN(CC[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1(C)C ZINC000623514317 347612279 /nfs/dbraw/zinc/61/22/79/347612279.db2.gz IBFPFZWFSHWDJN-OAHLLOKOSA-N 3 0 296.503 1.475 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H](CNC2=[NH+]CCCN2)C1 ZINC000262774066 535085284 /nfs/dbraw/zinc/08/52/84/535085284.db2.gz JOYGJAHTYPNWAJ-CYBMUJFWSA-N 2 0 252.406 1.293 10 0 CDAERP COc1ccc([C@@H](C)[NH2+]CCOCCC[NH3+])cc1O ZINC000629536720 362951288 /nfs/dbraw/zinc/95/12/88/362951288.db2.gz GYJWUGTZMWBKJO-LLVKDONJSA-N 2 0 268.357 1.417 10 0 CDAERP COc1ccc(OC)c([C@@H](C)[NH2+]CCOCCC[NH3+])c1 ZINC000629537152 362952127 /nfs/dbraw/zinc/95/21/27/362952127.db2.gz HPYQYNCXAJQEGH-GFCCVEGCSA-N 2 0 282.384 1.720 10 0 CDAERP C[C@H]([NH2+]CCOCCC[NH3+])c1cccc(CO)c1 ZINC000629535335 362960566 /nfs/dbraw/zinc/96/05/66/362960566.db2.gz CCLFSVHIPZCZLC-LBPRGKRZSA-N 2 0 252.358 1.195 10 0 CDAERP Cc1noc([C@@H]2OCC[C@@H]2[NH2+][C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000629545760 362970992 /nfs/dbraw/zinc/97/09/92/362970992.db2.gz PJGLAUKMMARBJL-FIQHERPVSA-N 2 0 266.345 1.068 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CC[NH2+][C@H]2C)[C@H](C)C1 ZINC000629548878 362976394 /nfs/dbraw/zinc/97/63/94/362976394.db2.gz RPSVWKHWFSZKLI-FXUDXRNXSA-N 2 0 283.460 1.463 10 0 CDAERP COc1cncc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000629548795 362976470 /nfs/dbraw/zinc/97/64/70/362976470.db2.gz YMRIKBRUDFDOLS-CQSZACIVSA-N 2 0 290.411 1.697 10 0 CDAERP CCn1nccc1CC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000621775477 350772056 /nfs/dbraw/zinc/77/20/56/350772056.db2.gz PVXPCEWSKWBUTC-GOEBONIOSA-N 2 0 276.428 1.910 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622003894 350926937 /nfs/dbraw/zinc/92/69/37/350926937.db2.gz HEGTVCLQONTYBP-NVXWUHKLSA-N 2 0 297.406 1.889 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)CCO[C@H]1CCCC[C@H]1C ZINC000629571261 363019868 /nfs/dbraw/zinc/01/98/68/363019868.db2.gz KBVDHIHFJNDPPZ-CABCVRRESA-N 2 0 272.433 1.750 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000333633599 363069626 /nfs/dbraw/zinc/06/96/26/363069626.db2.gz HAHHGLNTWAISDG-CHWSQXEVSA-N 2 0 282.432 1.016 10 0 CDAERP O=C(N[C@H]1CCCC[NH2+]C1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000333682882 363097546 /nfs/dbraw/zinc/09/75/46/363097546.db2.gz OZZZHLZYQCUFMM-GJZGRUSLSA-N 2 0 294.443 1.160 10 0 CDAERP COC1([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)CCOCC1 ZINC000453059247 363282493 /nfs/dbraw/zinc/28/24/93/363282493.db2.gz KRPLZXLAGTYELP-CABCVRRESA-N 2 0 284.444 1.892 10 0 CDAERP C[C@H]1CSC[C@H]1[NH2+]CCCC[NH+]1CCOCC1 ZINC000449084179 291030673 /nfs/dbraw/zinc/03/06/73/291030673.db2.gz WQHDXYOPNPQTSX-QWHCGFSZSA-N 2 0 258.431 1.440 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000340377242 283056937 /nfs/dbraw/zinc/05/69/37/283056937.db2.gz IEFLPWSKOQNMJV-NVXWUHKLSA-N 2 0 289.423 1.890 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](C)CCF ZINC001660321509 1172194485 /nfs/dbraw/zinc/19/44/85/1172194485.db2.gz ILORJTVROMMLJF-AWEZNQCLSA-N 2 0 287.423 1.657 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)CN1CCCCC1 ZINC000234738875 140230341 /nfs/dbraw/zinc/23/03/41/140230341.db2.gz PTKHCCCBGSMTCC-UONOGXRCSA-N 2 0 257.422 1.204 10 0 CDAERP CC1CC[NH+](CC(=O)N2CC[NH+]3CCC2CC3)CC1 ZINC000336565344 356211502 /nfs/dbraw/zinc/21/15/02/356211502.db2.gz ZSIGIZCMLUKPJM-UHFFFAOYSA-N 2 0 265.401 1.025 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000236851956 140246992 /nfs/dbraw/zinc/24/69/92/140246992.db2.gz XADHJIGAOKEAAR-KGLIPLIRSA-N 2 0 267.417 1.352 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)C2(C[NH3+])CCCC2)CC[N@@H+]1C ZINC000237564162 140255619 /nfs/dbraw/zinc/25/56/19/140255619.db2.gz SYTOUDBNOZMYMJ-OLZOCXBDSA-N 2 0 267.417 1.447 10 0 CDAERP C[NH+](C)CCN(C(=O)[C@@H]1CCC[C@H]([NH3+])C1)C1CCCC1 ZINC000070576737 356900353 /nfs/dbraw/zinc/90/03/53/356900353.db2.gz ZXPXFQYJJUIQER-KGLIPLIRSA-N 2 0 281.444 1.837 10 0 CDAERP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@H](O)C[C@@](C)(O)C2CC2)C1 ZINC000634716294 357423828 /nfs/dbraw/zinc/42/38/28/357423828.db2.gz RVEKBROMIGMTNA-FVQBIDKESA-N 2 0 284.444 1.220 10 0 CDAERP C[C@@H]1CCC[C@](CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)([NH+](C)C)C1 ZINC000091542421 357717483 /nfs/dbraw/zinc/71/74/83/357717483.db2.gz KGCZFRXCLCEEIK-NYTXWWLZSA-N 2 0 281.444 1.741 10 0 CDAERP CC[N@H+](CCF)CCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001660601308 1172242133 /nfs/dbraw/zinc/24/21/33/1172242133.db2.gz LQRVDVYARIKRFF-LSDHHAIUSA-N 2 0 299.434 1.801 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1COc2ccc(C)cc21 ZINC000516562361 366489511 /nfs/dbraw/zinc/48/95/11/366489511.db2.gz RFFLUJWQEJXDQH-JSGCOSHPSA-N 2 0 264.369 1.772 10 0 CDAERP COc1cc(C)nc(CN2CC[C@@H]3C[N@H+](C)C[C@@H]32)c1 ZINC000644734031 366481929 /nfs/dbraw/zinc/48/19/29/366481929.db2.gz XGYRLOHRNKDNFQ-DOMZBBRYSA-N 2 0 261.369 1.535 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCN1CCC[NH+](C2CC2)CC1 ZINC000179247941 366523507 /nfs/dbraw/zinc/52/35/07/366523507.db2.gz UBEJQPLJQHFJAR-CQSZACIVSA-N 2 0 251.418 1.641 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CC23CC[NH2+]CC3)CC[N@@H+]1C ZINC000261886746 359077474 /nfs/dbraw/zinc/07/74/74/359077474.db2.gz BCRORACECWDRTI-MGPQQGTHSA-N 2 0 279.428 1.317 10 0 CDAERP Cn1c2ccc(CN3CCC[C@H](C[NH3+])C3)cc2sc1=O ZINC000261913070 359086856 /nfs/dbraw/zinc/08/68/56/359086856.db2.gz JNMFPBAYFNZCKE-GFCCVEGCSA-N 2 0 291.420 1.771 10 0 CDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@]2(C)CC[NH2+]C2)CC1 ZINC000262114187 359134525 /nfs/dbraw/zinc/13/45/25/359134525.db2.gz WVIJWHONRATTNQ-GOEBONIOSA-N 3 0 283.460 1.011 10 0 CDAERP C[C@@H]1CCC[N@H+](CCNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000262301778 359152684 /nfs/dbraw/zinc/15/26/84/359152684.db2.gz ALHGFBAHSLYMII-RDBSUJKOSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)C[C@H]([NH2+][C@H](C)[C@H]1CCOC1)C(=O)NCC[NH+](C)C ZINC000347227868 359240163 /nfs/dbraw/zinc/24/01/63/359240163.db2.gz MZKUYXYRZYULNL-ILXRZTDVSA-N 2 0 299.459 1.094 10 0 CDAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000335293847 359562205 /nfs/dbraw/zinc/56/22/05/359562205.db2.gz CNNIIRZMLPWBEX-STQMWFEESA-N 2 0 282.432 1.016 10 0 CDAERP C[C@H](NCCC[N@@H+]1CCCC[C@@H]1C)[C@H]1CC[NH2+]C1 ZINC000400354156 299293056 /nfs/dbraw/zinc/29/30/56/299293056.db2.gz LLIUVXDARTVWKG-KKUMJFAQSA-N 2 0 253.434 1.839 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000111816602 359644815 /nfs/dbraw/zinc/64/48/15/359644815.db2.gz UPAUOWNSTWAFEE-CQSZACIVSA-N 2 0 298.475 1.889 10 0 CDAERP C[C@H](C[C@@H]1COCC[NH2+]1)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000422888719 359667343 /nfs/dbraw/zinc/66/73/43/359667343.db2.gz NPDMKAHDDOVIQW-FXUDXRNXSA-N 2 0 283.460 1.606 10 0 CDAERP Cc1cc(C[C@H](C)[NH2+][C@H]2CCCCC[C@@H]2[NH3+])[nH]n1 ZINC000422991928 359703709 /nfs/dbraw/zinc/70/37/09/359703709.db2.gz QLZQPEODQBRSKY-BPNCWPANSA-N 2 0 250.390 1.899 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](CO)c1ccccc1 ZINC000423003294 359733556 /nfs/dbraw/zinc/73/35/56/359733556.db2.gz HIIJEPKSUPWUSM-JYJNAYRXSA-N 2 0 262.397 1.870 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](O)CC2)[C@H]2CCC[C@@H]21 ZINC000560542278 359809304 /nfs/dbraw/zinc/80/93/04/359809304.db2.gz ARXRXRUDFRRYQV-ZSAUSMIDSA-N 2 0 252.402 1.752 10 0 CDAERP [NH3+][C@@H]1C[C@H](N[C@H]2C[NH2+]CCC2(F)F)c2ccccc21 ZINC000423476647 359810623 /nfs/dbraw/zinc/81/06/23/359810623.db2.gz JFDIDXZEUBCAEM-AGIUHOORSA-N 2 0 267.323 1.718 10 0 CDAERP C[C@@H]1CCN(C(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)C1 ZINC000336949923 359948519 /nfs/dbraw/zinc/94/85/19/359948519.db2.gz SHOGTCKYMPNKAF-CQSZACIVSA-N 2 0 296.459 1.406 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NCC1([NH3+])CCCCCC1 ZINC000418288605 370667277 /nfs/dbraw/zinc/66/72/77/370667277.db2.gz WOBRAPXXISGGEE-KBPBESRZSA-N 2 0 296.459 1.855 10 0 CDAERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cnc(C)o2)C1 ZINC000628186380 360180894 /nfs/dbraw/zinc/18/08/94/360180894.db2.gz IERMBBVDGYXVDS-CQSZACIVSA-N 2 0 281.400 1.916 10 0 CDAERP C[C@@H]1CN(Cc2ccc(-n3ccnc3)nc2)C[C@@H](C)O1 ZINC000177225697 189037305 /nfs/dbraw/zinc/03/73/05/189037305.db2.gz RGVWBNUHKNQAKB-CHWSQXEVSA-N 2 0 272.352 1.877 10 0 CDAERP CN(C(=O)[C@H]1[NH2+]CCCC1(C)C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000335484879 360346678 /nfs/dbraw/zinc/34/66/78/360346678.db2.gz WIGUQZVIQZCMGA-UONOGXRCSA-N 2 0 279.428 1.460 10 0 CDAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000335604634 360538817 /nfs/dbraw/zinc/53/88/17/360538817.db2.gz OSOYMWZDCCHECR-STQMWFEESA-N 2 0 265.401 1.214 10 0 CDAERP CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000626929548 360647124 /nfs/dbraw/zinc/64/71/24/360647124.db2.gz YABLTBOIHCEGLU-UKRRQHHQSA-N 2 0 296.459 1.547 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000626938632 360655506 /nfs/dbraw/zinc/65/55/06/360655506.db2.gz UZWYHJFUGISTMV-SWLSCSKDSA-N 2 0 290.411 1.298 10 0 CDAERP C[C@@H](CNC(=O)N[C@@H]1CC[NH2+][C@H]1C)C[NH+]1CCCCC1 ZINC000626944533 360683517 /nfs/dbraw/zinc/68/35/17/360683517.db2.gz SPDKRPQSFBTWEK-MELADBBJSA-N 2 0 282.432 1.158 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000626941220 360673238 /nfs/dbraw/zinc/67/32/38/360673238.db2.gz ZTRUTEUZLFOCOX-REWJHTLYSA-N 2 0 280.416 1.053 10 0 CDAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1CC[NH2+]CC1 ZINC000245873823 360759531 /nfs/dbraw/zinc/75/95/31/360759531.db2.gz AGYQDUSAETXBKB-KGLIPLIRSA-N 2 0 265.401 1.071 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000246553559 360885849 /nfs/dbraw/zinc/88/58/49/360885849.db2.gz UAYUZJOOLIWUHU-TUVASFSCSA-N 2 0 281.444 1.693 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CNC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000431507213 360993645 /nfs/dbraw/zinc/99/36/45/360993645.db2.gz RQSJBCIWQBBMPO-GJZGRUSLSA-N 2 0 281.444 1.851 10 0 CDAERP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000247043669 361007344 /nfs/dbraw/zinc/00/73/44/361007344.db2.gz SZXGXUGDIWBJDV-SYQHCUMBSA-N 2 0 265.401 1.118 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCC[NH+](C)C2)C1 ZINC000628755060 361017256 /nfs/dbraw/zinc/01/72/56/361017256.db2.gz SVGJAPJFJYHGHU-KGLIPLIRSA-N 2 0 267.417 1.176 10 0 CDAERP COc1ccccc1/C=C/CNC[C@@](C)(O)C[NH+](C)C ZINC000131561918 361106909 /nfs/dbraw/zinc/10/69/09/361106909.db2.gz GISHHOVMBASWQY-MNDMWVCDSA-N 2 0 278.396 1.611 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000525681074 361260378 /nfs/dbraw/zinc/26/03/78/361260378.db2.gz DDVNOAVIKYNLRE-CQSZACIVSA-N 2 0 267.417 1.176 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000566293237 370673402 /nfs/dbraw/zinc/67/34/02/370673402.db2.gz KCLOMKPIXNHIQH-LZWOXQAQSA-N 2 0 279.428 1.461 10 0 CDAERP Cc1nocc1C[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000339182005 361336199 /nfs/dbraw/zinc/33/61/99/361336199.db2.gz RXCASMNBZSCNOH-OAHLLOKOSA-N 2 0 280.416 1.345 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)CCCC[NH+](C)C)[C@@H](C)C1 ZINC000519572606 361358339 /nfs/dbraw/zinc/35/83/39/361358339.db2.gz QWNVFXZQKSMGCQ-LSDHHAIUSA-N 2 0 283.460 1.907 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000351488453 361709363 /nfs/dbraw/zinc/70/93/63/361709363.db2.gz VPYRMNDNAPYLTO-LSDHHAIUSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccccc1CC[NH3+] ZINC000566408399 370707025 /nfs/dbraw/zinc/70/70/25/370707025.db2.gz ZKDKXFVAEBSSOW-BLLLJJGKSA-N 2 0 287.407 1.400 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)CC[C@H](C)[NH3+])C1 ZINC000248894183 364341342 /nfs/dbraw/zinc/34/13/42/364341342.db2.gz XDLYIMYDPWFNQI-STQMWFEESA-N 2 0 255.406 1.304 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)N2CC[C@H]([NH+](C)C)C2)CC1 ZINC000170835907 364382737 /nfs/dbraw/zinc/38/27/37/364382737.db2.gz HJCZHRGBOFIPAI-HNNXBMFYSA-N 2 0 296.459 1.596 10 0 CDAERP O[C@@]1(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)CCCOC1 ZINC000639684569 364421832 /nfs/dbraw/zinc/42/18/32/364421832.db2.gz WSKNICLKRJSVLS-MRXNPFEDSA-N 2 0 291.395 1.135 10 0 CDAERP C[C@H](CO)CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353620375 365337752 /nfs/dbraw/zinc/33/77/52/365337752.db2.gz JSZYKHFCFIXFBZ-GBJTYRQASA-N 2 0 254.418 1.857 10 0 CDAERP CCc1cc(N2CC[NH+]([C@H](CC)CO)CC2)nc(C)n1 ZINC000272951905 365456414 /nfs/dbraw/zinc/45/64/14/365456414.db2.gz YSHWYEOGRFGMGD-CQSZACIVSA-N 2 0 278.400 1.240 10 0 CDAERP C[C@H]([NH3+])CNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000641494758 365494903 /nfs/dbraw/zinc/49/49/03/365494903.db2.gz YYXMRZCNZKJGAQ-ZFWWWQNUSA-N 2 0 290.411 1.250 10 0 CDAERP CC(C)C[C@H]([NH2+][C@H](C)[C@H]1C[C@@H]1C)C(=O)NCC[NH+](C)C ZINC000414097876 241067459 /nfs/dbraw/zinc/06/74/59/241067459.db2.gz NWCIXSBOXYRYHD-XGUBFFRZSA-N 2 0 283.460 1.713 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCC[NH+](C)C1 ZINC000357420349 366985713 /nfs/dbraw/zinc/98/57/13/366985713.db2.gz RSTOETRJHYDLKB-UONOGXRCSA-N 2 0 267.417 1.413 10 0 CDAERP CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](CCC[NH3+])C1 ZINC000414747795 241364154 /nfs/dbraw/zinc/36/41/54/241364154.db2.gz SULOIOOYJNGEAH-NSHDSACASA-N 2 0 295.349 1.458 10 0 CDAERP Cc1cc(C)n2c(C[NH2+][C@H]3CCCC[C@H]3C[NH3+])cnc2n1 ZINC000414799151 241394223 /nfs/dbraw/zinc/39/42/23/241394223.db2.gz JTABUMMXLIAOKG-ZFWWWQNUSA-N 2 0 287.411 1.953 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CNC[C@H]([NH3+])C(C)C ZINC000414801774 241395998 /nfs/dbraw/zinc/39/59/98/241395998.db2.gz UUCCIMXFZXKPOA-HNNXBMFYSA-N 2 0 273.384 1.649 10 0 CDAERP C[C@H](NC(=O)N[C@H]1CC[NH2+]C12CCC2)C(C)(C)C[NH+](C)C ZINC000626996985 367217813 /nfs/dbraw/zinc/21/78/13/367217813.db2.gz KRQPFEMXLRUHAO-STQMWFEESA-N 2 0 296.459 1.547 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000627022310 367245078 /nfs/dbraw/zinc/24/50/78/367245078.db2.gz DBNYKSAMZHTESP-MJBXVCDLSA-N 2 0 296.459 1.547 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)C[NH2+]1 ZINC000627022296 367245430 /nfs/dbraw/zinc/24/54/30/367245430.db2.gz COBSQSDSTYOQCN-MGPQQGTHSA-N 2 0 296.459 1.547 10 0 CDAERP Cc1ccc(O)c(C[NH2+]CC2(C)CC[NH+](C)CC2)n1 ZINC000227330734 367394509 /nfs/dbraw/zinc/39/45/09/367394509.db2.gz FBZXRTVCDFGHAY-UHFFFAOYSA-N 2 0 263.385 1.917 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]CCN2CC=C(C)CC2)[C@H](C)C1 ZINC000358214934 367516635 /nfs/dbraw/zinc/51/66/35/367516635.db2.gz BKBGIFFWLPIVOP-CVEARBPZSA-N 2 0 265.445 1.958 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000417028874 242279749 /nfs/dbraw/zinc/27/97/49/242279749.db2.gz CAGXZZXDXIBGCJ-LXTVHRRPSA-N 2 0 298.475 1.779 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000366601890 367645991 /nfs/dbraw/zinc/64/59/91/367645991.db2.gz QJGQIHWBCVNJEM-ZFWWWQNUSA-N 2 0 281.444 1.565 10 0 CDAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000236849006 367657456 /nfs/dbraw/zinc/65/74/56/367657456.db2.gz BZCAUVKVYQRDSG-SYQHCUMBSA-N 2 0 265.401 1.199 10 0 CDAERP C[C@@H]1CCCCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000358389211 367652739 /nfs/dbraw/zinc/65/27/39/367652739.db2.gz VLWRJVAQOUPPHV-CQSZACIVSA-N 2 0 293.455 1.994 10 0 CDAERP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627205991 367702565 /nfs/dbraw/zinc/70/25/65/367702565.db2.gz GFRORDPQSVSPTF-MROQNXINSA-N 2 0 268.405 1.038 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N(C)CC2CC[NH+](C)CC2)C[NH2+]1 ZINC000627195555 367681709 /nfs/dbraw/zinc/68/17/09/367681709.db2.gz CAWBOJPBFCZHKC-OCCSQVGLSA-N 2 0 282.432 1.110 10 0 CDAERP C[C@H]1CC[C@@H](NC(=O)NCC[N@@H+]2CCCC(C)(C)C2)C[NH2+]1 ZINC000627201920 367696327 /nfs/dbraw/zinc/69/63/27/367696327.db2.gz DPPJHMQJQRMWLG-UONOGXRCSA-N 2 0 296.459 1.548 10 0 CDAERP CCC(C)(C)[NH+]1CCN(C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627210462 367711094 /nfs/dbraw/zinc/71/10/94/367711094.db2.gz QIFHGAQXBRZIMT-KBPBESRZSA-N 2 0 296.459 1.643 10 0 CDAERP C[C@@H](C[C@@H]1CCC[NH2+]1)NCCC[NH2+]Cc1cccnc1 ZINC000414861027 367788112 /nfs/dbraw/zinc/78/81/12/367788112.db2.gz RGSHMGPYCCQLPP-HOCLYGCPSA-N 3 0 276.428 1.682 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000627238918 367802241 /nfs/dbraw/zinc/80/22/41/367802241.db2.gz RZEVGTVOZLVDEC-RRFJBIMHSA-N 2 0 294.443 1.397 10 0 CDAERP CC/C=C/CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001661267241 1172359979 /nfs/dbraw/zinc/35/99/79/1172359979.db2.gz LKCSNHMDTAZSPB-AXHPFZFWSA-N 2 0 293.455 1.970 10 0 CDAERP CCC[C@H]1C[NH2+]CCN1C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418442402 243083284 /nfs/dbraw/zinc/08/32/84/243083284.db2.gz DTDLBBXTOFIXMH-GJZGRUSLSA-N 2 0 290.411 1.470 10 0 CDAERP CCCC[C@@H](C[NH3+])NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000418446004 243086596 /nfs/dbraw/zinc/08/65/96/243086596.db2.gz NNFRPVLTHKVNPA-UONOGXRCSA-N 2 0 280.416 1.160 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000418597414 243258348 /nfs/dbraw/zinc/25/83/48/243258348.db2.gz PMTALNVMADTPCU-KGLIPLIRSA-N 2 0 284.448 1.214 10 0 CDAERP CCCN(CC[NH+](CC)CC)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000418624685 243290168 /nfs/dbraw/zinc/29/01/68/243290168.db2.gz ZOJMKMYYDDENFI-HUUCEWRRSA-N 2 0 298.475 1.748 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)N[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000418701296 243354153 /nfs/dbraw/zinc/35/41/53/243354153.db2.gz PHGPUELNHYAONS-RYUDHWBXSA-N 2 0 270.421 1.238 10 0 CDAERP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)CCN(C)c1cc[nH+]cc1 ZINC000540925543 368571835 /nfs/dbraw/zinc/57/18/35/368571835.db2.gz WXXGXPPMGKNRMS-ZIAGYGMSSA-N 2 0 290.411 1.459 10 0 CDAERP Cc1nc2c(c(NC[C@@H]3CCC[N@H+]3C)n1)CCCC2 ZINC000541078744 368600341 /nfs/dbraw/zinc/60/03/41/368600341.db2.gz OMEZSIVMNHMTGB-LBPRGKRZSA-N 2 0 260.385 1.592 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCCCF)CC1 ZINC000375714237 370926916 /nfs/dbraw/zinc/92/69/16/370926916.db2.gz KSKNHNISEOKERU-HNNXBMFYSA-N 2 0 271.424 1.838 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000361713624 368997665 /nfs/dbraw/zinc/99/76/65/368997665.db2.gz ZIXPZWIFOIAVQK-ARFHVFGLSA-N 2 0 293.455 1.804 10 0 CDAERP CC[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)[NH+](CC)CC ZINC000361775651 369035893 /nfs/dbraw/zinc/03/58/93/369035893.db2.gz HSDVXCKFEDPAJS-GJZGRUSLSA-N 2 0 281.444 1.802 10 0 CDAERP C[C@H]1C[C@H]([NH2+]C[C@@H](O)Cc2ccccc2)CC[N@@H+]1C ZINC000287013218 369059988 /nfs/dbraw/zinc/05/99/88/369059988.db2.gz KRVVDEUZDNBFFR-IMJJTQAJSA-N 2 0 262.397 1.662 10 0 CDAERP c1nc(NCC2CC2)cc(N[C@@H]2CC[NH2+]C23CCC3)n1 ZINC000630523376 369138481 /nfs/dbraw/zinc/13/84/81/369138481.db2.gz DYEDZOWEVCDQEH-GFCCVEGCSA-N 2 0 273.384 1.995 10 0 CDAERP C[N@H+](CC[C@H]1CCC[NH2+]C1)CC(=O)NC(C)(C)C ZINC000420296409 244041757 /nfs/dbraw/zinc/04/17/57/244041757.db2.gz BWGYBAWKPUXTJC-GFCCVEGCSA-N 2 0 255.406 1.223 10 0 CDAERP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000638349814 369501287 /nfs/dbraw/zinc/50/12/87/369501287.db2.gz WFEUQWFTAGCEIE-QDMKHBRRSA-N 2 0 265.445 1.648 10 0 CDAERP CC(C)C[C@@H](C[NH3+])NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000418133530 370196970 /nfs/dbraw/zinc/19/69/70/370196970.db2.gz NIIFUPCLSKQVGF-SLTAFYQDSA-N 2 0 296.459 1.676 10 0 CDAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H](O)C(F)F ZINC000300554193 370299940 /nfs/dbraw/zinc/29/99/40/370299940.db2.gz DSDMJHSDFHNYGM-MXWKQRLJSA-N 2 0 250.333 1.513 10 0 CDAERP C[C@@H](NC(=O)NCC1([NH3+])CCCCCC1)[C@H](C)[NH3+] ZINC000418281508 370436515 /nfs/dbraw/zinc/43/65/15/370436515.db2.gz DTEYKPUJQONOEG-WDEREUQCSA-N 2 0 256.394 1.073 10 0 CDAERP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)C(C)(C)n1cncn1 ZINC000566092441 370606482 /nfs/dbraw/zinc/60/64/82/370606482.db2.gz MXBLROOFWDQKOT-NWDGAFQWSA-N 2 0 251.378 1.133 10 0 CDAERP C[C@H](CN[C@@H](C)c1c[nH+]ccc1N)C[NH+]1CCCC1 ZINC000422724883 245181478 /nfs/dbraw/zinc/18/14/78/245181478.db2.gz WXEQICVUZAWXCG-OLZOCXBDSA-N 2 0 262.401 1.877 10 0 CDAERP Cc1cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)ccc1-n1cncn1 ZINC000414964343 371094571 /nfs/dbraw/zinc/09/45/71/371094571.db2.gz UWVPGNLECAWLTM-HIFRSBDPSA-N 2 0 285.395 1.663 10 0 CDAERP CC[C@@H](Cn1cncn1)[NH2+]CCCN1CCCO[C@H](C)C1 ZINC000340513929 371471717 /nfs/dbraw/zinc/47/17/17/371471717.db2.gz YTYKALZPDOCYKU-CABCVRRESA-N 2 0 295.431 1.147 10 0 CDAERP C[NH+]1CCC(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000377672680 371636518 /nfs/dbraw/zinc/63/65/18/371636518.db2.gz LOTJVHZCAKLOPE-OAHLLOKOSA-N 2 0 285.407 1.409 10 0 CDAERP C[NH+](C)Cc1cc(CNC(=O)C[C@@H]2CCC[NH2+]2)ccc1F ZINC000168817632 372046910 /nfs/dbraw/zinc/04/69/10/372046910.db2.gz PNBGNGHXDJODFU-AWEZNQCLSA-N 2 0 293.386 1.646 10 0 CDAERP [NH3+]C1CCC(OCC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000645561142 372086060 /nfs/dbraw/zinc/08/60/60/372086060.db2.gz JWUBAVKAPCYIKY-GQKFXUNGSA-N 2 0 295.427 1.016 10 0 CDAERP C[C@H](CN[C@H](C)[C@@H]1CCC[NH2+]C1)C[NH+]1CCCC1 ZINC000582540554 372354668 /nfs/dbraw/zinc/35/46/68/372354668.db2.gz YIONAKWKXUBXNC-RBSFLKMASA-N 2 0 253.434 1.696 10 0 CDAERP CC[C@@H](C)NC(=O)[C@@H](C)N1CC2CCC1(C[NH3+])CC2 ZINC000578643078 372528878 /nfs/dbraw/zinc/52/88/78/372528878.db2.gz MVMOVWQXGQQLAB-SIUPQYRZSA-N 2 0 267.417 1.493 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CC1Cc2ccccc2C1 ZINC000422983643 245467931 /nfs/dbraw/zinc/46/79/31/245467931.db2.gz UKXGLIDFRNFICW-INIZCTEOSA-N 2 0 262.397 1.745 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCC[C@H]1CCCCO1 ZINC000423032988 245513586 /nfs/dbraw/zinc/51/35/86/245513586.db2.gz FXFKRRKWTSPVIK-UONOGXRCSA-N 2 0 258.406 1.679 10 0 CDAERP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCCC23CC3)CC1 ZINC000572976678 294729585 /nfs/dbraw/zinc/72/95/85/294729585.db2.gz WYOMMFNSEGNAGY-HNNXBMFYSA-N 2 0 265.445 1.935 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)N(C)C[C@@H]1CCC[NH+]1CC ZINC000177488197 372868507 /nfs/dbraw/zinc/86/85/07/372868507.db2.gz GDELPSIVARYXNR-CABCVRRESA-N 2 0 298.475 1.842 10 0 CDAERP C[C@H](CC(=O)N1CCC[N@@H+](C2CC2)CC1)C1CC[NH2+]CC1 ZINC000178747739 372978787 /nfs/dbraw/zinc/97/87/87/372978787.db2.gz LINTZLXHHUKTSG-CQSZACIVSA-N 2 0 293.455 1.709 10 0 CDAERP C[C@]1(CNC2CC[NH+](C[C@@H]3CCOC3)CC2)CC[NH2+]C1 ZINC000581489303 373037563 /nfs/dbraw/zinc/03/75/63/373037563.db2.gz UINRZEDFJODPOH-HOCLYGCPSA-N 2 0 281.444 1.077 10 0 CDAERP CCN1CC[C@@H]([NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000396399590 373115053 /nfs/dbraw/zinc/11/50/53/373115053.db2.gz XGOSAKGSHORLAB-MOENNCHZSA-N 2 0 280.334 1.906 10 0 CDAERP C[C@H]1C[C@@H](N(C)C(=O)NCC[NH+](C)C2CC2)CC[N@@H+]1C ZINC000341112765 373309338 /nfs/dbraw/zinc/30/93/38/373309338.db2.gz APPKDZSGLJYWAG-JSGCOSHPSA-N 2 0 282.432 1.205 10 0 CDAERP c1ncn(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000330174660 373313114 /nfs/dbraw/zinc/31/31/14/373313114.db2.gz IKUFGAJFHLKGHW-HZSPNIEDSA-N 2 0 263.389 1.179 10 0 CDAERP CCC[NH+](CCC)CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000582011559 373538159 /nfs/dbraw/zinc/53/81/59/373538159.db2.gz GVWVIOGGGRIJQJ-OAHLLOKOSA-N 2 0 283.460 1.957 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC[NH2+]1 ZINC000584527985 373944074 /nfs/dbraw/zinc/94/40/74/373944074.db2.gz SYMAKFFUNKDRDL-ZQDZILKHSA-N 2 0 279.428 1.223 10 0 CDAERP CCC1([NH+](C)C)CCN(C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000640016089 373993257 /nfs/dbraw/zinc/99/32/57/373993257.db2.gz SUKWLKWCVIAQRN-HNNXBMFYSA-N 2 0 283.460 1.248 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](CO)[C@H](C)c1ccccc1 ZINC000643474451 374272624 /nfs/dbraw/zinc/27/26/24/374272624.db2.gz NMQRFSLBODPBAS-KBMXLJTQSA-N 2 0 280.412 1.495 10 0 CDAERP CCCN(C(=O)NCCC1(C[NH3+])CC1)C1CC[NH2+]CC1 ZINC000652232285 541924552 /nfs/dbraw/zinc/92/45/52/541924552.db2.gz WCCTVYHZQUHMTQ-UHFFFAOYSA-N 2 0 282.432 1.289 10 0 CDAERP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2CC23CC3)CC[NH2+]CC1 ZINC000424375699 246461985 /nfs/dbraw/zinc/46/19/85/246461985.db2.gz NMQQVADZNMHEMT-VXGBXAGGSA-N 2 0 266.385 1.450 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000417289783 375748432 /nfs/dbraw/zinc/74/84/32/375748432.db2.gz VGLIUDLEYOBZFV-DOMZBBRYSA-N 2 0 290.411 1.600 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000428461392 247306386 /nfs/dbraw/zinc/30/63/86/247306386.db2.gz LPPLKTGFUNBQRV-BLLLJJGKSA-N 2 0 286.379 1.778 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)NC[C@H]([NH3+])C(C)C)CC1 ZINC000417392040 376318517 /nfs/dbraw/zinc/31/85/17/376318517.db2.gz OJCRLRCAKBXHAG-AWEZNQCLSA-N 2 0 284.448 1.391 10 0 CDAERP C[NH+](C)C1(CNC(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000420165872 376289686 /nfs/dbraw/zinc/28/96/86/376289686.db2.gz NQIZSSFGRYLSFW-CYBMUJFWSA-N 2 0 267.417 1.461 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC[C@H](O)C(F)F)[C@H]2CCC[C@@H]21 ZINC000631705831 376478421 /nfs/dbraw/zinc/47/84/21/376478421.db2.gz QYYMSBKRMFTYIO-RHYQMDGZSA-N 2 0 262.344 1.465 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC[C@H](O)C(F)F)[C@@H]2CCC[C@@H]21 ZINC000631705829 376478584 /nfs/dbraw/zinc/47/85/84/376478584.db2.gz QYYMSBKRMFTYIO-BJDJZHNGSA-N 2 0 262.344 1.465 10 0 CDAERP CCC[NH+](CCC)CCCNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000171241090 376501446 /nfs/dbraw/zinc/50/14/46/376501446.db2.gz AIVALJVXAXPYBM-HNNXBMFYSA-N 2 0 298.475 1.892 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N2CCC[C@H]2C[NH2+]C)CC1 ZINC000417394438 376554896 /nfs/dbraw/zinc/55/48/96/376554896.db2.gz SDQUMWCMPCHUBZ-HNNXBMFYSA-N 2 0 296.459 1.502 10 0 CDAERP Cn1cncc1CCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631889011 376781754 /nfs/dbraw/zinc/78/17/54/376781754.db2.gz BKNHBMIDGKQXTO-UKRRQHHQSA-N 2 0 262.401 1.427 10 0 CDAERP CC[NH+](CC)CCCNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000416815787 284601914 /nfs/dbraw/zinc/60/19/14/284601914.db2.gz NXNOLEJBBKPCAC-STQMWFEESA-N 2 0 270.421 1.016 10 0 CDAERP CC[NH+](CC)CCCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000416815783 284600425 /nfs/dbraw/zinc/60/04/25/284600425.db2.gz NXNOLEJBBKPCAC-QWHCGFSZSA-N 2 0 270.421 1.016 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000246891196 377010872 /nfs/dbraw/zinc/01/08/72/377010872.db2.gz FCDWJQBJLKOPDC-SOUVJXGZSA-N 2 0 296.459 1.643 10 0 CDAERP COc1ccnc(CN2CC[N@@H+]3CCC[C@H]3C2)c1OC ZINC000249098127 377396365 /nfs/dbraw/zinc/39/63/65/377396365.db2.gz PAWJCESKCMZJQC-LBPRGKRZSA-N 2 0 277.368 1.379 10 0 CDAERP CC[NH+](CC)CCCN1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000249095518 377396496 /nfs/dbraw/zinc/39/64/96/377396496.db2.gz VIXSKGJIZITVHT-GJZGRUSLSA-N 2 0 271.449 1.105 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+](C)C2CC2)CC[N@@H+]1C ZINC000632521289 377562090 /nfs/dbraw/zinc/56/20/90/377562090.db2.gz YHLZGZDGPDRVAF-UONOGXRCSA-N 2 0 267.417 1.269 10 0 CDAERP C[C@H]1CC[N@H+](Cc2ccc3c[nH]nc3c2)C[C@H]1C[NH3+] ZINC000334820785 377655197 /nfs/dbraw/zinc/65/51/97/377655197.db2.gz MTKPXMNRQAOFBF-SMDDNHRTSA-N 2 0 258.369 1.980 10 0 CDAERP C[N@H+](CCNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)C1CCCC1 ZINC000417508101 377701933 /nfs/dbraw/zinc/70/19/33/377701933.db2.gz OUTNZUHZPOAOAN-HIFRSBDPSA-N 2 0 294.443 1.254 10 0 CDAERP C[C@H]1CC[NH2+]C[C@@H]1NC1CC([NH+]2CCCCC2)C1 ZINC000335027546 377778482 /nfs/dbraw/zinc/77/84/82/377778482.db2.gz FLBLQDHYYYLDFF-PPWQZUPISA-N 2 0 251.418 1.591 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCC[NH+]2C2CC2)CC[N@@H+]1C ZINC000632768230 377839919 /nfs/dbraw/zinc/83/99/19/377839919.db2.gz SRKYGSJINLSGIU-OWCLPIDISA-N 2 0 293.455 1.850 10 0 CDAERP Cc1cc(C[NH2+]CC2CC[NH+](C[C@@H](C)O)CC2)no1 ZINC000069596163 378381385 /nfs/dbraw/zinc/38/13/85/378381385.db2.gz ZGJXYNSOKVGUSW-LLVKDONJSA-N 2 0 267.373 1.165 10 0 CDAERP C[NH+](C)CCC[C@@H]1C[N@H+](CCC[C@H]2CCOC2)CCO1 ZINC000662326544 412896640 /nfs/dbraw/zinc/89/66/40/412896640.db2.gz VRJZJLFNYLFPTC-JKSUJKDBSA-N 2 0 284.444 1.846 10 0 CDAERP C[C@H]1CN(C)C[C@H]1[NH2+]Cc1ccccc1N1CCOCC1 ZINC000343838048 379016402 /nfs/dbraw/zinc/01/64/02/379016402.db2.gz GTQCIXJVLPJNLR-GOEBONIOSA-N 2 0 289.423 1.563 10 0 CDAERP CC1(C)CCCN(CC[NH2+]C2CCN(C(N)=O)CC2)C1 ZINC000444008688 250071465 /nfs/dbraw/zinc/07/14/65/250071465.db2.gz JQLQXLLZOMNVQM-UHFFFAOYSA-N 2 0 282.432 1.241 10 0 CDAERP COC1([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)CCOCC1 ZINC000453059250 284741141 /nfs/dbraw/zinc/74/11/41/284741141.db2.gz KRPLZXLAGTYELP-LSDHHAIUSA-N 2 0 284.444 1.892 10 0 CDAERP CC[N@H+](CC(=O)N1CCC(CC)([NH+](C)C)CC1)C1CC1 ZINC000634122636 379062583 /nfs/dbraw/zinc/06/25/83/379062583.db2.gz MDMYQVMJJDGSGJ-UHFFFAOYSA-N 2 0 281.444 1.804 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](COC)OC)[C@@H](C)C1 ZINC000660083143 412913237 /nfs/dbraw/zinc/91/32/37/412913237.db2.gz RRXWXPBOYHQBCP-IHRRRGAJSA-N 2 0 258.406 1.310 10 0 CDAERP C[NH+](C)CC(C)(C)CNC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662347253 412913892 /nfs/dbraw/zinc/91/38/92/412913892.db2.gz ILLOAKVIMUGTID-OAHLLOKOSA-N 2 0 289.423 1.925 10 0 CDAERP C[C@@H](CNC(=O)NCC[N@@H+]1CCCC[C@@H]1C)[NH+](C)C1CC1 ZINC000246204709 379474234 /nfs/dbraw/zinc/47/42/34/379474234.db2.gz MRSBOZIKKMGDRG-KBPBESRZSA-N 2 0 296.459 1.643 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](C)C[C@H](C)O ZINC000344323203 379556429 /nfs/dbraw/zinc/55/64/29/379556429.db2.gz ICNGVAKCTYWWPJ-RYUDHWBXSA-N 2 0 274.368 1.825 10 0 CDAERP CC[C@H]([NH2+]C)C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000662357004 412917672 /nfs/dbraw/zinc/91/76/72/412917672.db2.gz XMUOOBKHUABPHA-UONOGXRCSA-N 2 0 263.385 1.404 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000417011311 284801016 /nfs/dbraw/zinc/80/10/16/284801016.db2.gz RLWWYVCOGZMELS-UPJWGTAASA-N 2 0 270.421 1.095 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)C1 ZINC000655922113 412924791 /nfs/dbraw/zinc/92/47/91/412924791.db2.gz ZXLYCUSPEBDULI-NXEZZACHSA-N 2 0 296.337 1.002 10 0 CDAERP CC(C)[NH2+][C@@H]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001662777922 1172592299 /nfs/dbraw/zinc/59/22/99/1172592299.db2.gz AOIPFEREUXLXLP-CHWSQXEVSA-N 2 0 255.406 1.364 10 0 CDAERP O=C(C[C@H]1[NH2+]Cc2ccccc21)N1CC[NH+](CC2CC2)CC1 ZINC000662396085 412958635 /nfs/dbraw/zinc/95/86/35/412958635.db2.gz PCLOBAFBBSLXTP-QGZVFWFLSA-N 2 0 299.418 1.775 10 0 CDAERP CC1(C)CC(NC(=O)C[NH2+]C2CCCC2)CC(C)(C)[NH2+]1 ZINC000040810448 184549090 /nfs/dbraw/zinc/54/90/90/184549090.db2.gz HFSRRXCIHUGYQG-UHFFFAOYSA-N 2 0 281.444 1.944 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000655962739 412965878 /nfs/dbraw/zinc/96/58/78/412965878.db2.gz CBTGEXYSXIRMJQ-FQUUOJAGSA-N 2 0 282.432 1.143 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N(CC)[C@H]1CC[NH+](C)C1 ZINC000663941167 412971043 /nfs/dbraw/zinc/97/10/43/412971043.db2.gz JYHUCAXVVZFBOA-KBPBESRZSA-N 2 0 284.448 1.452 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C1 ZINC000655970770 412983574 /nfs/dbraw/zinc/98/35/74/412983574.db2.gz LNJUSBKNGFYRHC-RMEBNNNOSA-N 2 0 294.443 1.095 10 0 CDAERP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](O)C23CCC3)CN1C1CC1 ZINC000657703896 412988756 /nfs/dbraw/zinc/98/87/56/412988756.db2.gz CSGBQRAMACKTSV-UVLXDEKHSA-N 2 0 250.386 1.505 10 0 CDAERP C[C@@H]([NH2+]CCc1cncn1C)c1nnc2n1CCCCC2 ZINC000660264256 413025079 /nfs/dbraw/zinc/02/50/79/413025079.db2.gz CVMDWATZMKKXHT-GFCCVEGCSA-N 2 0 288.399 1.631 10 0 CDAERP CC(C)[C@H](CNC(=O)[C@@H]1CCCCC[NH2+]1)[NH+](C)C ZINC000081018006 177755671 /nfs/dbraw/zinc/75/56/71/177755671.db2.gz ZQFPUPNNZIRKIK-STQMWFEESA-N 2 0 255.406 1.221 10 0 CDAERP CC(C)C[C@@H]([NH3+])c1noc(-c2ccc(C[NH3+])o2)n1 ZINC000647129877 390493454 /nfs/dbraw/zinc/49/34/54/390493454.db2.gz HSYZGNBJWBYEBY-SECBINFHSA-N 2 0 250.302 1.834 10 0 CDAERP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000648199059 390949569 /nfs/dbraw/zinc/94/95/69/390949569.db2.gz ICJNTLLWAGRUNN-HOCLYGCPSA-N 2 0 287.407 1.603 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000181124727 390913634 /nfs/dbraw/zinc/91/36/34/390913634.db2.gz ISUJOEVOLFKLHD-HZPDHXFCSA-N 2 0 283.460 1.512 10 0 CDAERP CC(C)C[C@H]([NH3+])C[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000415102167 391029112 /nfs/dbraw/zinc/02/91/12/391029112.db2.gz JMXUZWOUDKOBRG-INIZCTEOSA-N 3 0 284.492 1.223 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H](NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000647548684 390991643 /nfs/dbraw/zinc/99/16/43/390991643.db2.gz OVHZETWUQYFXGK-SQWLQELKSA-N 2 0 281.444 1.075 10 0 CDAERP [NH2+]=C(NCc1ccccc1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000307480665 391075465 /nfs/dbraw/zinc/07/54/65/391075465.db2.gz GTKIJWXWUNLWRU-LSDHHAIUSA-N 2 0 272.396 1.927 10 0 CDAERP NC(=O)C[C@@H]1CCCC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000647882671 391138895 /nfs/dbraw/zinc/13/88/95/391138895.db2.gz LORUFHILYAWWJL-AWEZNQCLSA-N 2 0 267.417 1.496 10 0 CDAERP COC[C@H](C)C[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000526995031 391243210 /nfs/dbraw/zinc/24/32/10/391243210.db2.gz GQWANRMEPRWRDF-CYBMUJFWSA-N 2 0 279.384 1.495 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000417798048 391201509 /nfs/dbraw/zinc/20/15/09/391201509.db2.gz QIXMGJRIYNVMOW-KBPBESRZSA-N 2 0 275.396 1.581 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)CC[N@@H+]1C ZINC000648104467 391338393 /nfs/dbraw/zinc/33/83/93/391338393.db2.gz AKPBHNHEEMULKG-BARDWOONSA-N 2 0 279.428 1.317 10 0 CDAERP C[C@@H](CNC(=O)N1CC[C@H]([NH3+])[C@@H]1C)C[NH+]1CCCCC1 ZINC000417199530 391345081 /nfs/dbraw/zinc/34/50/81/391345081.db2.gz VIBZWLBLCOVORU-IHRRRGAJSA-N 2 0 282.432 1.240 10 0 CDAERP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000647971558 391353469 /nfs/dbraw/zinc/35/34/69/391353469.db2.gz NTRBDADESAUZNX-KFWWJZLASA-N 2 0 272.433 1.170 10 0 CDAERP C[C@@H](Cc1ccoc1)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000648450477 391394583 /nfs/dbraw/zinc/39/45/83/391394583.db2.gz OBEKTNLFDKUKQQ-GOEBONIOSA-N 2 0 291.439 1.969 10 0 CDAERP CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1C)[NH+]1CCCCC1 ZINC000353958330 391404266 /nfs/dbraw/zinc/40/42/66/391404266.db2.gz DYGYEPFUKDTGAE-GJZGRUSLSA-N 2 0 281.444 1.707 10 0 CDAERP CN(C(=O)[C@@H]1[NH2+]CCCC1(C)C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000335484878 391439057 /nfs/dbraw/zinc/43/90/57/391439057.db2.gz WIGUQZVIQZCMGA-KGLIPLIRSA-N 2 0 279.428 1.460 10 0 CDAERP CS[C@@H]1CC[C@H]1[NH2+]C1CCN(CCC(=O)N(C)C)CC1 ZINC000425342370 391466776 /nfs/dbraw/zinc/46/67/76/391466776.db2.gz HCEKWLKUSJQUFP-ZIAGYGMSSA-N 2 0 299.484 1.413 10 0 CDAERP CCC([NH3+])(CC)CNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000417817622 391485183 /nfs/dbraw/zinc/48/51/83/391485183.db2.gz RNTFZLKRZFSMCL-NSHDSACASA-N 2 0 255.406 1.398 10 0 CDAERP CC1(C)C[C@@H]([NH2+]CCCC[NH+]2CCOCC2)CO1 ZINC000417877671 391533312 /nfs/dbraw/zinc/53/33/12/391533312.db2.gz RTTNFDPDULAZNH-CYBMUJFWSA-N 2 0 256.390 1.256 10 0 CDAERP c1ccc(CCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)nc1 ZINC000647793147 391630640 /nfs/dbraw/zinc/63/06/40/391630640.db2.gz MFYRYIVZRRYMOR-SQWLQELKSA-N 2 0 259.397 1.992 10 0 CDAERP CC(C)[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cccnc1 ZINC000359319980 391587986 /nfs/dbraw/zinc/58/79/86/391587986.db2.gz JRQKYHMYFTWYGK-OAHLLOKOSA-N 2 0 277.412 1.825 10 0 CDAERP Cn1ncc2c1CCC[C@H]2[NH2+]CCCC[NH+](C)C ZINC000045663854 391596589 /nfs/dbraw/zinc/59/65/89/391596589.db2.gz ZLJMNCRXPWGRFQ-CYBMUJFWSA-N 2 0 250.390 1.729 10 0 CDAERP CC[C@H]([NH2+]C[C@@H]1CCN(C)C(=O)C1)[C@@H]1CCCC[NH2+]1 ZINC000424383020 391673535 /nfs/dbraw/zinc/67/35/35/391673535.db2.gz SSONVSWZTPLOET-RDBSUJKOSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000415007263 391711068 /nfs/dbraw/zinc/71/10/68/391711068.db2.gz CLVUPJISDLEHCI-OUAUKWLOSA-N 2 0 267.348 1.868 10 0 CDAERP CC[C@@H]([NH3+])CNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000417659603 391724845 /nfs/dbraw/zinc/72/48/45/391724845.db2.gz LGTCQACQWIFNQJ-CYBMUJFWSA-N 2 0 296.390 1.424 10 0 CDAERP C[NH+](C)Cc1cc(CNC(=O)N2CC[C@H]([NH3+])C2)ccc1F ZINC000417665738 391730795 /nfs/dbraw/zinc/73/07/95/391730795.db2.gz ZPYNZMMQNYIIBV-ZDUSSCGKSA-N 2 0 294.374 1.130 10 0 CDAERP CCOC[C@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415056193 391738452 /nfs/dbraw/zinc/73/84/52/391738452.db2.gz PLLMRSXETNLVTL-NFOMZHRRSA-N 2 0 269.433 1.217 10 0 CDAERP C[C@H](O)C[NH+]1CCC(C[NH2+]CC2(O)CCCCC2)CC1 ZINC000069510328 391983856 /nfs/dbraw/zinc/98/38/56/391983856.db2.gz KUEJWFXUWLGZMS-AWEZNQCLSA-N 2 0 284.444 1.364 10 0 CDAERP CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000649319198 392012501 /nfs/dbraw/zinc/01/25/01/392012501.db2.gz NXGZNEAIWBPSJA-MFKMUULPSA-N 2 0 273.340 1.579 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000334919816 391977233 /nfs/dbraw/zinc/97/72/33/391977233.db2.gz VCLJGZSXHWEOQT-LSDHHAIUSA-N 2 0 294.443 1.254 10 0 CDAERP CC1(C)CN(C(=O)[C@]2(C)CCCC[NH2+]2)CC[C@@H]1[NH3+] ZINC000261750780 392020854 /nfs/dbraw/zinc/02/08/54/392020854.db2.gz FEXNUEKKGMGMFT-FZMZJTMJSA-N 2 0 253.390 1.104 10 0 CDAERP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)NCC[NH2+]C1CC1 ZINC000646197027 392158066 /nfs/dbraw/zinc/15/80/66/392158066.db2.gz FSUZECGWGLFJJV-HNNXBMFYSA-N 2 0 288.395 1.006 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000649372952 392124919 /nfs/dbraw/zinc/12/49/19/392124919.db2.gz LHIAWFFNDGOBCS-HZSPNIEDSA-N 2 0 279.428 1.650 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CCCC[NH3+] ZINC000251755478 392241960 /nfs/dbraw/zinc/24/19/60/392241960.db2.gz LNFHMKXDAMPESG-OLZOCXBDSA-N 2 0 253.390 1.201 10 0 CDAERP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1cn[nH]c1 ZINC000423122649 392361552 /nfs/dbraw/zinc/36/15/52/392361552.db2.gz KUCBYHBXKTZZLU-IUODEOHRSA-N 2 0 258.369 1.500 10 0 CDAERP CC(C)C1CC([NH2+][C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000488466540 392366806 /nfs/dbraw/zinc/36/68/06/392366806.db2.gz QHZNEWKALGSVSY-NFOMZHRRSA-N 2 0 253.434 1.647 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)c1cc(C)ccc1OC ZINC000629528506 392384447 /nfs/dbraw/zinc/38/44/47/392384447.db2.gz AXQRMGHJRWINRE-CYBMUJFWSA-N 2 0 266.385 1.890 10 0 CDAERP COCCOc1ccc([C@H](C)[NH2+]CCC[NH3+])cc1 ZINC000423183156 392422666 /nfs/dbraw/zinc/42/26/66/392422666.db2.gz RJPNGECVVUPHBB-LBPRGKRZSA-N 2 0 252.358 1.711 10 0 CDAERP CN(C)C(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000568249697 392434662 /nfs/dbraw/zinc/43/46/62/392434662.db2.gz YFBXADJGDBIJQZ-PMPSAXMXSA-N 2 0 289.423 1.545 10 0 CDAERP C[C@@H](CC(=O)NC1CC([NH+]2CCCCC2)C1)n1ccnc1 ZINC000573926541 392468314 /nfs/dbraw/zinc/46/83/14/392468314.db2.gz AQBNXNPZWGYGKE-NFOMZHRRSA-N 2 0 290.411 1.967 10 0 CDAERP C[NH+](C)C(C)(C)CNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000646394499 392409258 /nfs/dbraw/zinc/40/92/58/392409258.db2.gz WMOCHKWHPFACBU-STQMWFEESA-N 2 0 269.433 1.741 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000645889375 392472260 /nfs/dbraw/zinc/47/22/60/392472260.db2.gz GYMUAHABXMBEKC-GXFFZTMASA-N 2 0 271.324 1.204 10 0 CDAERP C[C@@H]1CC[N@H+](CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000649084374 392730988 /nfs/dbraw/zinc/73/09/88/392730988.db2.gz VVFKIJZVZZQWCJ-RDBSUJKOSA-N 2 0 267.417 1.175 10 0 CDAERP C[C@H](CO)[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000268867042 132079695 /nfs/dbraw/zinc/07/96/95/132079695.db2.gz UFDCPYMFQYUWPT-FMKPAKJESA-N 2 0 262.397 1.867 10 0 CDAERP CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000188893300 393003587 /nfs/dbraw/zinc/00/35/87/393003587.db2.gz MJYXGJQAXULYEV-HNNXBMFYSA-N 2 0 298.475 1.844 10 0 CDAERP CC[C@@H]1[C@H](CO)CC[NH+]1CCC[N@H+]1CC[C@@H](CO)[C@H]1CC ZINC000451248722 393176567 /nfs/dbraw/zinc/17/65/67/393176567.db2.gz BDRYCPIIQIAHMF-MWDXBVQZSA-N 2 0 298.471 1.562 10 0 CDAERP CC[NH2+]CCNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000418316352 285592212 /nfs/dbraw/zinc/59/22/12/285592212.db2.gz JTBLHODBHRBPBU-CQSZACIVSA-N 2 0 282.432 1.256 10 0 CDAERP C[C@]1(C(=O)N2CCC(C[NH+]3CCCC3)CC2)CCCC[NH2+]1 ZINC000136200272 139892381 /nfs/dbraw/zinc/89/23/81/139892381.db2.gz BUDOQHPWTCNTCD-QGZVFWFLSA-N 2 0 293.455 1.853 10 0 CDAERP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)NC(C)C)C2)[nH+]1 ZINC000195516099 140158828 /nfs/dbraw/zinc/15/88/28/140158828.db2.gz MIELLUMJXHWDPK-AWEZNQCLSA-N 2 0 290.411 1.648 10 0 CDAERP CCCn1cc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)cn1 ZINC000233421624 140225876 /nfs/dbraw/zinc/22/58/76/140225876.db2.gz HIYONXVUNPBLHI-CYBMUJFWSA-N 2 0 250.390 1.854 10 0 CDAERP C[C@H](CC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)C1CC[NH2+]CC1 ZINC000248621261 140293311 /nfs/dbraw/zinc/29/33/11/140293311.db2.gz MYSPIJLXJFFECM-UQOMUDLDSA-N 2 0 279.428 1.208 10 0 CDAERP O=C(C[N@@H+]1CCC2(C1)CC[NH2+]CC2)Nc1ccc(F)cc1 ZINC000261741780 140383233 /nfs/dbraw/zinc/38/32/33/140383233.db2.gz SGCGPMNDJKMLER-UHFFFAOYSA-N 2 0 291.370 1.840 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657902553 413080918 /nfs/dbraw/zinc/08/09/18/413080918.db2.gz NFNJUUVYHGVZPD-UONOGXRCSA-N 2 0 270.417 1.644 10 0 CDAERP CC[C@H]([NH2+]C)C(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000662530466 413099935 /nfs/dbraw/zinc/09/99/35/413099935.db2.gz ATDWWZJFSZAJNE-XQQFMLRXSA-N 2 0 253.390 1.070 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNc2nc(N)[nH+]c3c2CCCC3)C1 ZINC000656210890 413109066 /nfs/dbraw/zinc/10/90/66/413109066.db2.gz KURYKVNGIVXZBO-PHIMTYICSA-N 2 0 275.400 1.690 10 0 CDAERP C[C@H](CCCC[NH3+])NC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662564942 413132803 /nfs/dbraw/zinc/13/28/03/413132803.db2.gz BUAOQFOPKMSZPW-LLVKDONJSA-N 2 0 294.399 1.389 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000664212804 413147766 /nfs/dbraw/zinc/14/77/66/413147766.db2.gz KIDDNQHFIAVSLE-KBPBESRZSA-N 2 0 296.459 1.643 10 0 CDAERP CCC[NH2+][C@@H](C)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662591664 413157903 /nfs/dbraw/zinc/15/79/03/413157903.db2.gz CBISCFWCAYIVDH-DZGCQCFKSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@@H](COC)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658067116 413166480 /nfs/dbraw/zinc/16/64/80/413166480.db2.gz JWMSFHNCAZINFR-HNNXBMFYSA-N 2 0 284.444 1.892 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000662594783 413166580 /nfs/dbraw/zinc/16/65/80/413166580.db2.gz WEGRQZOBTUPTRI-CJNGLKHVSA-N 2 0 281.444 1.755 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662598807 413170612 /nfs/dbraw/zinc/17/06/12/413170612.db2.gz YQLFGDIKFOZFEU-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP NC(=O)c1c[nH+]ccc1NCC[NH2+]C1CCCCCC1 ZINC000398994486 398002231 /nfs/dbraw/zinc/00/22/31/398002231.db2.gz NRYFTDFNOPZMDY-UHFFFAOYSA-N 2 0 276.384 1.327 10 0 CDAERP CC[C@@H](C)C[NH2+]CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001663938614 1172791765 /nfs/dbraw/zinc/79/17/65/1172791765.db2.gz XMUNHLIMKPFHRP-HIFRSBDPSA-N 2 0 281.444 1.422 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@]1(CC)CC[NH2+]C1 ZINC000092629696 147017401 /nfs/dbraw/zinc/01/74/01/147017401.db2.gz NJSWIXXEUYSEKB-HIFRSBDPSA-N 2 0 267.417 1.319 10 0 CDAERP C[N@H+](CCO[C@H]1CC1(F)F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000660540656 413214796 /nfs/dbraw/zinc/21/47/96/413214796.db2.gz FAWJBFYCGFFCQH-HNGCFSAESA-N 2 0 274.355 1.968 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000193320104 148621731 /nfs/dbraw/zinc/62/17/31/148621731.db2.gz JKAABZJIZXAIEN-ZIAGYGMSSA-N 2 0 267.417 1.448 10 0 CDAERP C[C@]1(C[NH3+])CCN(C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000262059712 149006130 /nfs/dbraw/zinc/00/61/30/149006130.db2.gz RPFLVTCJEGCDFT-VNHYZAJKSA-N 2 0 267.417 1.481 10 0 CDAERP Cc1ccc2cc(C[NH2+]C[C@@H]3C[NH2+]C[C@@H]3O)ccc2n1 ZINC000262199463 149034062 /nfs/dbraw/zinc/03/40/62/149034062.db2.gz ZZLROFPYKAISRM-ZBFHGGJFSA-N 2 0 271.364 1.213 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CC[NH+](C3CCCCC3)CC2)CC[NH2+]1 ZINC000262335169 149050346 /nfs/dbraw/zinc/05/03/46/149050346.db2.gz GAVDKMHTBAKVQD-GJZGRUSLSA-N 2 0 293.455 1.851 10 0 CDAERP C[N@@H+]1CC[C@]2(CC[NH+](C[C@@H](O)C3CCCCC3)C2)C1 ZINC000311878074 149221883 /nfs/dbraw/zinc/22/18/83/149221883.db2.gz XVMGOTVEUHVQOR-CVEARBPZSA-N 2 0 266.429 1.955 10 0 CDAERP [NH3+]C[C@H](C(=O)N1CC[NH+]2CCC1CC2)c1ccccc1 ZINC000335037782 150213712 /nfs/dbraw/zinc/21/37/12/150213712.db2.gz LAWNWNXZPVLKTM-HNNXBMFYSA-N 2 0 273.380 1.036 10 0 CDAERP C[NH+](C)Cc1ccccc1C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000335044234 150221539 /nfs/dbraw/zinc/22/15/39/150221539.db2.gz UXEOGEVPPUEGKP-GDBMZVCRSA-N 2 0 287.407 1.572 10 0 CDAERP COc1ccc([C@@H](NCCC[NH3+])[C@H]2CCC[NH2+]2)cc1 ZINC000423197193 286359242 /nfs/dbraw/zinc/35/92/42/286359242.db2.gz YHRKMFPYHOFOJU-HUUCEWRRSA-N 2 0 263.385 1.427 10 0 CDAERP [NH3+][C@H](c1cn(C2CC[NH2+]CC2)nn1)c1ccc(F)cc1 ZINC000656457483 413284149 /nfs/dbraw/zinc/28/41/49/413284149.db2.gz XDZHZKZIZPFCLT-AWEZNQCLSA-N 2 0 275.331 1.390 10 0 CDAERP CC[NH2+]Cc1cn([C@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000656456320 413283691 /nfs/dbraw/zinc/28/36/91/413283691.db2.gz YURJPJFBAPMLJL-INIZCTEOSA-N 2 0 285.395 1.835 10 0 CDAERP CO[C@H](C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1)C1CCC1 ZINC000660617792 413300033 /nfs/dbraw/zinc/30/00/33/413300033.db2.gz YXGRFJQRXLNLLN-CABCVRRESA-N 2 0 252.402 1.829 10 0 CDAERP CCC[NH2+][C@@H](C)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000662686225 413310001 /nfs/dbraw/zinc/31/00/01/413310001.db2.gz KUFZXUULTWCOQI-WFASDCNBSA-N 2 0 291.395 1.674 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]1C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000662684740 413310363 /nfs/dbraw/zinc/31/03/63/413310363.db2.gz HUWFIESYJNJUSD-ZNMIVQPWSA-N 2 0 289.379 1.413 10 0 CDAERP C[C@H]([NH3+])CCC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000662685982 413311124 /nfs/dbraw/zinc/31/11/24/413311124.db2.gz JOYLPCJDJJGWED-SMDDNHRTSA-N 2 0 277.368 1.413 10 0 CDAERP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)[NH2+]C(C)(C)CC)C1 ZINC000355650989 157166088 /nfs/dbraw/zinc/16/60/88/157166088.db2.gz IASDHSWPLKSBJT-OLZOCXBDSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)CC1([NH3+])CC1 ZINC000662712643 413364503 /nfs/dbraw/zinc/36/45/03/413364503.db2.gz VFOBTJBEHGBKON-TXEJJXNPSA-N 2 0 253.390 1.247 10 0 CDAERP C[N@H+](CCNC(=O)C1([NH3+])CC2(CCC2)C1)C1CCCC1 ZINC000662720665 413380110 /nfs/dbraw/zinc/38/01/10/413380110.db2.gz ISSQEEIHRWDHPD-UHFFFAOYSA-N 2 0 279.428 1.639 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)NCCCn1ccnc1 ZINC000656538603 413386398 /nfs/dbraw/zinc/38/63/98/413386398.db2.gz YZWRPANOJBHCRC-CYBMUJFWSA-N 2 0 293.415 1.445 10 0 CDAERP COc1cccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000361925302 159019116 /nfs/dbraw/zinc/01/91/16/159019116.db2.gz IJJPOCRRRUBLSY-GXTWGEPZSA-N 2 0 263.385 1.705 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000662732234 413400321 /nfs/dbraw/zinc/40/03/21/413400321.db2.gz PFJRIKNSZTUINI-LSDHHAIUSA-N 2 0 275.396 1.363 10 0 CDAERP CSCC[C@H]([NH3+])C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000367382539 159479456 /nfs/dbraw/zinc/47/94/56/159479456.db2.gz WBWCVQPZQWNGCO-NSHDSACASA-N 2 0 297.399 1.490 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000372891291 160156064 /nfs/dbraw/zinc/15/60/64/160156064.db2.gz MPONTERSNJIIPU-OCCSQVGLSA-N 2 0 290.411 1.140 10 0 CDAERP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)CC1([NH3+])CC1 ZINC000662745915 413421330 /nfs/dbraw/zinc/42/13/30/413421330.db2.gz PUOSFGJSHLVIEY-LBPRGKRZSA-N 2 0 253.390 1.201 10 0 CDAERP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CCC(C(N)=O)CC1 ZINC000093515543 286891294 /nfs/dbraw/zinc/89/12/94/286891294.db2.gz HNFBLTOPXULZHT-PPWQZUPISA-N 2 0 281.444 1.931 10 0 CDAERP [NH3+]C[C@H](NC(=O)CC1([NH3+])CC1)c1ccc2ccccc2c1 ZINC000662772784 413475239 /nfs/dbraw/zinc/47/52/39/413475239.db2.gz GGMKGMWISNFAPS-HNNXBMFYSA-N 2 0 283.375 1.837 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000653176025 412116669 /nfs/dbraw/zinc/11/66/69/412116669.db2.gz IBOQSSQQSZXHOU-ZDUSSCGKSA-N 2 0 255.406 1.080 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@H]([NH3+])C1CCC1 ZINC000653215231 412143035 /nfs/dbraw/zinc/14/30/35/412143035.db2.gz PXJSQKGNQMNTII-CQSZACIVSA-N 2 0 261.369 1.150 10 0 CDAERP Cc1ccc([C@H]([NH3+])C(=O)NCCC2(C[NH3+])CC2)cc1 ZINC000653221110 412147747 /nfs/dbraw/zinc/14/77/47/412147747.db2.gz ICNBYPXZHMNQCR-ZDUSSCGKSA-N 2 0 261.369 1.240 10 0 CDAERP [NH3+]C1CCC(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000130878566 413517388 /nfs/dbraw/zinc/51/73/88/413517388.db2.gz QUJCQNPEDBXMNH-HOAMVYINSA-N 2 0 265.401 1.247 10 0 CDAERP C[C@H](CNC(=O)C1CCC([NH3+])CC1)[NH+]1CCCC1 ZINC000130936903 413536457 /nfs/dbraw/zinc/53/64/57/413536457.db2.gz IWTBKWPQDKGEKI-PNESKVBLSA-N 2 0 253.390 1.104 10 0 CDAERP CCN(C(=O)N[C@H](C)C1=CC[NH+](C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000664624288 413550037 /nfs/dbraw/zinc/55/00/37/413550037.db2.gz APHILNJBVJBSBO-HIFRSBDPSA-N 2 0 294.443 1.372 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)C1 ZINC000654663488 413557573 /nfs/dbraw/zinc/55/75/73/413557573.db2.gz QJOVSRBBXQORKO-LZWOXQAQSA-N 2 0 294.443 1.064 10 0 CDAERP CN(CCC[NH+]1CCCC1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654666319 413561129 /nfs/dbraw/zinc/56/11/29/413561129.db2.gz WHAZXRFKLYKJGR-GASCZTMLSA-N 2 0 296.459 1.454 10 0 CDAERP COC(=O)[C@H](C)C[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000035757868 172398011 /nfs/dbraw/zinc/39/80/11/172398011.db2.gz QSLZWPQVBFXKIR-OLZOCXBDSA-N 2 0 256.390 1.650 10 0 CDAERP CCO[C@@H]1C[N@H+](CCCOc2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000405629207 413666910 /nfs/dbraw/zinc/66/69/10/413666910.db2.gz YOUCXXHMPGSIOD-CZUORRHYSA-N 2 0 296.386 1.890 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH3+])C1 ZINC000662851699 413605846 /nfs/dbraw/zinc/60/58/46/413605846.db2.gz CAUCRIAPBULAIZ-AWEZNQCLSA-N 2 0 289.423 1.790 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662926737 413710292 /nfs/dbraw/zinc/71/02/92/413710292.db2.gz VYRPAWLFVNVPSC-GFCCVEGCSA-N 2 0 253.390 1.151 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659493376 413885044 /nfs/dbraw/zinc/88/50/44/413885044.db2.gz GOJLYKNQVCWACY-YNEHKIRRSA-N 2 0 288.411 1.188 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000659440372 413822565 /nfs/dbraw/zinc/82/25/65/413822565.db2.gz NFSASAXAZODXPC-HUUCEWRRSA-N 2 0 298.475 1.781 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000659446599 413833573 /nfs/dbraw/zinc/83/35/73/413833573.db2.gz QNOAGOQQAHDWTN-HUUCEWRRSA-N 2 0 298.475 1.779 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659454444 413840898 /nfs/dbraw/zinc/84/08/98/413840898.db2.gz IQPSEOVFPMBKDP-CYBMUJFWSA-N 2 0 272.437 1.391 10 0 CDAERP CCN(C(=O)NC1CCC([NH+](C)C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000665172280 413918037 /nfs/dbraw/zinc/91/80/37/413918037.db2.gz DQXIBOVDHADVAG-YMAMQOFZSA-N 2 0 296.459 1.595 10 0 CDAERP CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000661219044 413899078 /nfs/dbraw/zinc/89/90/78/413899078.db2.gz MMBHTLAJCJRCBD-CAOSSQGBSA-N 2 0 284.444 1.626 10 0 CDAERP CCS(=O)(=O)C1(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000665275407 414010714 /nfs/dbraw/zinc/01/07/14/414010714.db2.gz KAZSFCLIICSXLJ-VXGBXAGGSA-N 2 0 274.430 1.061 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])c1ccccn1 ZINC000665232060 413959792 /nfs/dbraw/zinc/95/97/92/413959792.db2.gz FDNCHUYCNVNMQO-QVHKTLOISA-N 2 0 263.385 1.527 10 0 CDAERP C[C@H](NC(=O)NCCCC[N@H+](C)C1CC1)c1nccn1C ZINC000661298370 413965194 /nfs/dbraw/zinc/96/51/94/413965194.db2.gz OPEJWUZJGZHBJO-LBPRGKRZSA-N 2 0 293.415 1.655 10 0 CDAERP COC[C@@H]([NH2+]C1CCC(C[NH3+])CC1)C1CCOCC1 ZINC000665236590 413967185 /nfs/dbraw/zinc/96/71/85/413967185.db2.gz QETKOSZKORGSQC-PESDSKBTSA-N 2 0 270.417 1.535 10 0 CDAERP FC1(F)C[C@@H]1OCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000665244399 413971378 /nfs/dbraw/zinc/97/13/78/413971378.db2.gz MKBOQXCSMFMXNE-QCNOEVLYSA-N 2 0 260.328 1.388 10 0 CDAERP C[C@@H](N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000665252771 413978518 /nfs/dbraw/zinc/97/85/18/413978518.db2.gz YRYRURGADQVQLL-MWQQHZPXSA-N 2 0 273.424 1.862 10 0 CDAERP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CCCc2c1cnn2C ZINC000665281063 414019775 /nfs/dbraw/zinc/01/97/75/414019775.db2.gz SZMGFGVYTQEDCQ-CHWSQXEVSA-N 2 0 250.390 1.761 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](COC)C(C)C)CC1 ZINC000665287173 414026021 /nfs/dbraw/zinc/02/60/21/414026021.db2.gz DNCHOUMNCTXAFF-HNNXBMFYSA-N 2 0 299.459 1.238 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000659623226 414035926 /nfs/dbraw/zinc/03/59/26/414035926.db2.gz XMDATZKGPBXDBE-CQSZACIVSA-N 2 0 298.475 1.781 10 0 CDAERP O=C(NCCC[NH+]1CCCCC1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000037467375 173226737 /nfs/dbraw/zinc/22/67/37/173226737.db2.gz CDMADNQUFCJAOI-PMPSAXMXSA-N 2 0 293.455 1.899 10 0 CDAERP c1cc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)n(-c2cc[nH+]cc2)n1 ZINC000657314663 414158565 /nfs/dbraw/zinc/15/85/65/414158565.db2.gz ZEFTZQFGONSGCH-HOCLYGCPSA-N 2 0 297.406 1.984 10 0 CDAERP C[C@]1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCOC1 ZINC000657359647 414221824 /nfs/dbraw/zinc/22/18/24/414221824.db2.gz YKXXOOSHZNPJRW-OAHLLOKOSA-N 2 0 272.352 1.784 10 0 CDAERP C[C@@H](O)C[C@H](C)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657371714 414251923 /nfs/dbraw/zinc/25/19/23/414251923.db2.gz MBKLMLQINLILHA-QWHCGFSZSA-N 2 0 274.368 1.764 10 0 CDAERP CC[C@H](Cn1cncn1)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663463645 414271784 /nfs/dbraw/zinc/27/17/84/414271784.db2.gz APSMRIWBVHYIQT-HZPDHXFCSA-N 2 0 291.443 1.768 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)CN1CCO[C@@H]2CCCC[C@H]21 ZINC000311705331 414290472 /nfs/dbraw/zinc/29/04/72/414290472.db2.gz MSASAWJJCXTOSL-RRFJBIMHSA-N 2 0 270.417 1.331 10 0 CDAERP CC(C)(C)[C@H](C[NH3+])NCc1nc2c(s1)C[NH2+]CC2 ZINC000663500172 414298148 /nfs/dbraw/zinc/29/81/48/414298148.db2.gz YOSGBASGHTUXPZ-NSHDSACASA-N 2 0 268.430 1.252 10 0 CDAERP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@]1(O)CCCOC1 ZINC000659959868 414299907 /nfs/dbraw/zinc/29/99/07/414299907.db2.gz GITKRNVRNGYKCA-GJZGRUSLSA-N 2 0 270.417 1.334 10 0 CDAERP CO[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCOC1 ZINC000657540024 414423726 /nfs/dbraw/zinc/42/37/26/414423726.db2.gz FXGZJFJOOOKITN-KBUPBQIOSA-N 2 0 268.401 1.254 10 0 CDAERP [NH3+]CCC[N@@H+](Cc1ccccc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662270698 414602112 /nfs/dbraw/zinc/60/21/12/414602112.db2.gz CGBDZZUDBAPIBV-INIZCTEOSA-N 3 0 289.423 1.358 10 0 CDAERP Cn1cncc1CCC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000662277452 414606546 /nfs/dbraw/zinc/60/65/46/414606546.db2.gz PSVNXFPBQQPTNP-HNNXBMFYSA-N 2 0 262.401 1.428 10 0 CDAERP CC(C)NC(=O)[C@@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000662317715 414636047 /nfs/dbraw/zinc/63/60/47/414636047.db2.gz QVNRRZUIZKLSEW-UONOGXRCSA-N 2 0 267.417 1.223 10 0 CDAERP Cc1ccc([C@H](C)[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc1C ZINC000038031086 174024638 /nfs/dbraw/zinc/02/46/38/174024638.db2.gz WKGIEOKXGYQTFE-HNNXBMFYSA-N 2 0 289.423 1.728 10 0 CDAERP CC[NH+]1CCC([C@H](C)[NH2+]C[C@H]2COCCO2)CC1 ZINC000038060783 174071646 /nfs/dbraw/zinc/07/16/46/174071646.db2.gz LDNXRMPRKVXFHE-JSGCOSHPSA-N 2 0 256.390 1.112 10 0 CDAERP CC(C)[C@H](C[NH3+])N1CCC([NH+]2CCCCC2)CC1 ZINC000040693767 174377819 /nfs/dbraw/zinc/37/78/19/174377819.db2.gz IQCJPOZPRGXPFQ-HNNXBMFYSA-N 2 0 253.434 1.920 10 0 CDAERP CO[C@@H]1C[NH2+][C@@H](CN2CCC([NH+]3CCCCC3)CC2)C1 ZINC000040694404 174377961 /nfs/dbraw/zinc/37/79/61/174377961.db2.gz DCINJDZASXRPGO-ZBFHGGJFSA-N 2 0 281.444 1.314 10 0 CDAERP COc1cc(C[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)ccc1O ZINC000040749246 174393605 /nfs/dbraw/zinc/39/36/05/174393605.db2.gz NXISVAKQNZGELH-YHWZYXNKSA-N 2 0 262.353 1.855 10 0 CDAERP CCc1cc(N2CCC[N@H+](C[C@@H](C)C[NH3+])CC2)ncn1 ZINC000040764941 174397812 /nfs/dbraw/zinc/39/78/12/174397812.db2.gz AGTPKOCEVULLGQ-ZDUSSCGKSA-N 2 0 277.416 1.146 10 0 CDAERP C[C@@H]1CC[C@@H](C(=O)N2CCC(C[NH+](C)C)CC2)C[NH2+]1 ZINC000042388309 174705221 /nfs/dbraw/zinc/70/52/21/174705221.db2.gz QCXXIEBPAYGREC-TZMCWYRMSA-N 2 0 267.417 1.175 10 0 CDAERP COCC[N@H+](C[C@H](O)c1ccc(C[NH3+])cc1)[C@@H](C)COC ZINC000042602008 174816933 /nfs/dbraw/zinc/81/69/33/174816933.db2.gz ZQCVLLGKIYSFBU-BBRMVZONSA-N 2 0 296.411 1.162 10 0 CDAERP COc1cccc([C@H](CN[C@H]2CCC[NH2+]C2)[NH+](C)C)c1 ZINC000043323854 175006328 /nfs/dbraw/zinc/00/63/28/175006328.db2.gz PGZMIDAIIRLVEV-HOCLYGCPSA-N 2 0 277.412 1.640 10 0 CDAERP COc1cccc([C@H](CN[C@@H]2CCC[NH2+]C2)[NH+](C)C)c1 ZINC000043323850 175006479 /nfs/dbraw/zinc/00/64/79/175006479.db2.gz PGZMIDAIIRLVEV-ZBFHGGJFSA-N 2 0 277.412 1.640 10 0 CDAERP CC[NH+]1CCC(N(C)[C@H](c2cccnc2)[C@@H](C)[NH3+])CC1 ZINC000043348518 175018421 /nfs/dbraw/zinc/01/84/21/175018421.db2.gz CCMICZLQBCEZBU-CJNGLKHVSA-N 2 0 276.428 1.886 10 0 CDAERP CC[C@@H](C)NC(=O)[C@@H](C)[N@H+](CCC[NH3+])CC(C)C ZINC000043417334 175038323 /nfs/dbraw/zinc/03/83/23/175038323.db2.gz ISIKKEIYDJJXFP-CHWSQXEVSA-N 2 0 257.422 1.596 10 0 CDAERP C[NH+]1CCN(CC[NH2+]Cc2ccc(O)c(Cl)c2)CC1 ZINC000043480218 175056074 /nfs/dbraw/zinc/05/60/74/175056074.db2.gz ZQXLSHQHEZVUNM-UHFFFAOYSA-N 2 0 283.803 1.383 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000043588430 175072584 /nfs/dbraw/zinc/07/25/84/175072584.db2.gz JHWDQLFNHVJBMF-GJZGRUSLSA-N 2 0 283.460 1.859 10 0 CDAERP CC[NH2+][C@H](CN1CC[NH+](C)CC1)c1cc(C)ccc1OC ZINC000043810824 175110039 /nfs/dbraw/zinc/11/00/39/175110039.db2.gz XMXAAOYDCYKUOZ-MRXNPFEDSA-N 2 0 291.439 1.902 10 0 CDAERP C[NH2+][C@H](CN1CCC[N@H+](C)CC1)c1cccc(OC)c1 ZINC000043818124 175112823 /nfs/dbraw/zinc/11/28/23/175112823.db2.gz OPWFOAAWUOGSMN-MRXNPFEDSA-N 2 0 277.412 1.593 10 0 CDAERP C[NH2+][C@H]1CCCCC[C@H]1N1CCC([NH+](C)C)CC1 ZINC000043897256 175119798 /nfs/dbraw/zinc/11/97/98/175119798.db2.gz PPBOKHWCXCPDRV-LSDHHAIUSA-N 2 0 253.434 1.933 10 0 CDAERP CC[NH2+][C@@H](CN1CC[NH+](C2CC2)CC1)C(C)(C)C ZINC000043967676 175129074 /nfs/dbraw/zinc/12/90/74/175129074.db2.gz OLMRTFYJEQOBDC-AWEZNQCLSA-N 2 0 253.434 1.791 10 0 CDAERP C[C@H](C[NH3+])CN1CCC[N@H+](CCOc2ccccc2)CC1 ZINC000044421460 175174394 /nfs/dbraw/zinc/17/43/94/175174394.db2.gz VQGSLSOPJZCUDU-MRXNPFEDSA-N 2 0 291.439 1.668 10 0 CDAERP CC[NH+]1CCC(C[NH2+]CCCC(=O)N(C)C)CC1 ZINC000044518506 175190816 /nfs/dbraw/zinc/19/08/16/175190816.db2.gz ZDDBWYYDAXIBSN-UHFFFAOYSA-N 2 0 255.406 1.176 10 0 CDAERP CC[NH+]1CCC(C[NH2+]CC(=O)N(C)C(C)C)CC1 ZINC000044518707 175190842 /nfs/dbraw/zinc/19/08/42/175190842.db2.gz DKZMIZISPGGCOJ-UHFFFAOYSA-N 2 0 255.406 1.175 10 0 CDAERP C[N@@H+]1CCC[C@H](C[NH2+]CCOCC(F)(F)F)C1 ZINC000044536114 175198839 /nfs/dbraw/zinc/19/88/39/175198839.db2.gz SQOCDQNCOOZRCO-SNVBAGLBSA-N 2 0 254.296 1.497 10 0 CDAERP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H]1C[C@@H]1c1ccccc1 ZINC000044676882 175227684 /nfs/dbraw/zinc/22/76/84/175227684.db2.gz HTLWESFTHKXHPX-BZUAXINKSA-N 2 0 262.397 1.835 10 0 CDAERP [NH3+][C@H](CCN[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000044679502 175228812 /nfs/dbraw/zinc/22/88/12/175228812.db2.gz RLPYVBYBWWWWHW-GOEBONIOSA-N 2 0 259.397 1.903 10 0 CDAERP COCC[C@](C)(CN)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000045043583 175295543 /nfs/dbraw/zinc/29/55/43/175295543.db2.gz JAFDLAPYYCCJOF-CQSZACIVSA-N 2 0 257.422 1.014 10 0 CDAERP CCC[NH2+][C@](C)(CCCC[N@@H+]1CCC[C@@H]1C)C(N)=O ZINC000045367817 175362994 /nfs/dbraw/zinc/36/29/94/175362994.db2.gz SOZLOIRRVYIOGI-DZGCQCFKSA-N 2 0 269.433 1.885 10 0 CDAERP CC[NH2+][C@](C)(CCCC[N@@H+]1CCCC[C@@H]1C)C(N)=O ZINC000045376084 175366588 /nfs/dbraw/zinc/36/65/88/175366588.db2.gz VUWPJPVPGBIGSP-DZGCQCFKSA-N 2 0 269.433 1.885 10 0 CDAERP C[C@@]([NH3+])(CCC[N@@H+]1CCc2ccccc2C1)C(N)=O ZINC000045378783 175368083 /nfs/dbraw/zinc/36/80/83/175368083.db2.gz KIAUQASCYHAVAA-OAHLLOKOSA-N 2 0 261.369 1.028 10 0 CDAERP CCC[N@H+](CC)CCCC[C@](C)([NH2+]CC)C(N)=O ZINC000045386917 175373314 /nfs/dbraw/zinc/37/33/14/175373314.db2.gz FULQSHZMPVXVAF-AWEZNQCLSA-N 2 0 257.422 1.742 10 0 CDAERP CC[NH2+][C@@](C)(CCCC[N@H+](C)[C@@H](C)C(C)C)C(N)=O ZINC000045391995 175375314 /nfs/dbraw/zinc/37/53/14/175375314.db2.gz ZYMCUVNBMHGTBQ-ZFWWWQNUSA-N 2 0 271.449 1.987 10 0 CDAERP CC(C)[NH2+][C@@H]1CCN([C@@H](C[NH+](C)C)C(C)C)C1=O ZINC000071034246 176024226 /nfs/dbraw/zinc/02/42/26/176024226.db2.gz RTWOQCAJSOBBJK-OLZOCXBDSA-N 2 0 255.406 1.172 10 0 CDAERP CC[NH+](CC)[C@@H](CN1CC[C@H]([NH2+]C)C1=O)c1ccccc1 ZINC000071037605 176026408 /nfs/dbraw/zinc/02/64/08/176026408.db2.gz VXOVZECDVUAGPL-HOTGVXAUSA-N 2 0 289.423 1.890 10 0 CDAERP C[NH2+][C@@H]1CCCN(CC[N@H+](C)C2CCCC2)C1=O ZINC000071043698 176029926 /nfs/dbraw/zinc/02/99/26/176029926.db2.gz UXUHPTMEDALRGS-CYBMUJFWSA-N 2 0 253.390 1.071 10 0 CDAERP C[C@@H]([NH3+])[C@H](c1ccncc1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188137 176062768 /nfs/dbraw/zinc/06/27/68/176062768.db2.gz JYIGAILHVNHGBA-UMVBOHGHSA-N 2 0 262.401 1.353 10 0 CDAERP Cc1ccc(C(N)=[NH2+])c(N(C)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000071189293 176064435 /nfs/dbraw/zinc/06/44/35/176064435.db2.gz CGPDVIXDJISVFU-GFCCVEGCSA-N 2 0 260.385 1.667 10 0 CDAERP CC[C@@H]1CC[C@@H](O)[C@H]([N@H+](C)C[C@@H]2CC[NH+](C)C2)C1 ZINC000071190605 176067180 /nfs/dbraw/zinc/06/71/80/176067180.db2.gz HQDYPIRCXWVZNR-KBUPBQIOSA-N 2 0 254.418 1.810 10 0 CDAERP CCCN[C@](C)(CC[N@H+](C)C[C@@H]1CC[NH+](C)C1)C(=O)OC ZINC000071191027 176067677 /nfs/dbraw/zinc/06/76/77/176067677.db2.gz YITSPHFDKUYHMM-GDBMZVCRSA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@@]1(CN(C)C[C@@H]2CC[N@H+](C)C2)CCC[NH2+]C1 ZINC000071190941 176068660 /nfs/dbraw/zinc/06/86/60/176068660.db2.gz CTPCKGNRHWNJQU-HUUCEWRRSA-N 2 0 253.434 1.650 10 0 CDAERP C[C@H](C[NH2+]C1CCCC1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192185 176073853 /nfs/dbraw/zinc/07/38/53/176073853.db2.gz HPMKJBJSMMPGQV-ZIAGYGMSSA-N 2 0 253.434 1.791 10 0 CDAERP CN(CC[NH2+]Cc1ccccn1)C[C@@H]1CC[N@H+](C)C1 ZINC000071192409 176073968 /nfs/dbraw/zinc/07/39/68/176073968.db2.gz GMBAJCAJFSJZQW-CQSZACIVSA-N 2 0 262.401 1.055 10 0 CDAERP CC[NH+]1CCC([C@H](C)[NH2+]Cc2ccnn2C)CC1 ZINC000071333311 176126014 /nfs/dbraw/zinc/12/60/14/176126014.db2.gz YVOZCHWFGCYOIA-LBPRGKRZSA-N 2 0 250.390 1.630 10 0 CDAERP O=C(NCC1CC[NH2+]CC1)c1ccc([C@H]2CC[NH2+]C2)cc1 ZINC000072168350 176332247 /nfs/dbraw/zinc/33/22/47/176332247.db2.gz JXJVUBUZRUPDNW-INIZCTEOSA-N 2 0 287.407 1.493 10 0 CDAERP CCC[NH2+]CC1(NC(=O)C[N@H+](C)C(C)C)CCCC1 ZINC001665968205 1173093144 /nfs/dbraw/zinc/09/31/44/1173093144.db2.gz BFXDBSAQVGCKRC-UHFFFAOYSA-N 2 0 269.433 1.755 10 0 CDAERP C[C@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)CC1 ZINC001666318577 1173125604 /nfs/dbraw/zinc/12/56/04/1173125604.db2.gz JMKXWSSMBRMIQB-KKUMJFAQSA-N 2 0 299.459 1.116 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+]C/C=C\Cl ZINC001666611280 1173155344 /nfs/dbraw/zinc/15/53/44/1173155344.db2.gz SXSBGBRIJFXTMK-VLWUPBBWSA-N 2 0 261.797 1.033 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000181124062 260565913 /nfs/dbraw/zinc/56/59/13/260565913.db2.gz ACECXRBKBFDKHR-HUUCEWRRSA-N 2 0 253.434 1.887 10 0 CDAERP c1ccc([C@@H]2CC[N@@H+](C[C@H]3CCC4(C[NH2+]C4)O3)C2)cc1 ZINC000662251854 423794362 /nfs/dbraw/zinc/79/43/62/423794362.db2.gz KFHUUWHVCSLAKN-HZPDHXFCSA-N 2 0 272.392 1.997 10 0 CDAERP C[N@H+](CC1CC1)C[C@H]1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662261748 423807003 /nfs/dbraw/zinc/80/70/03/423807003.db2.gz AKQBSVNXHXWDMN-HZPDHXFCSA-N 2 0 293.455 1.171 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000653260165 423827124 /nfs/dbraw/zinc/82/71/24/423827124.db2.gz DBXZDCFOTHYRIS-KFWWJZLASA-N 2 0 297.443 1.216 10 0 CDAERP Oc1ccc2c(c1)C[N@@H+](CC[C@H]1CCC[NH2+]C1)CCO2 ZINC000662318277 423950576 /nfs/dbraw/zinc/95/05/76/423950576.db2.gz YMBQKZLJKAWOHV-CYBMUJFWSA-N 2 0 276.380 1.976 10 0 CDAERP C[NH+](C)CCC[C@H]1C[N@H+](CCC(C)(C)O)CCO1 ZINC000662319305 423951063 /nfs/dbraw/zinc/95/10/63/423951063.db2.gz GYYWSMOWJOQOGV-ZDUSSCGKSA-N 2 0 258.406 1.190 10 0 CDAERP C[C@@H]([NH3+])C[C@@H](C)NCc1nc2c(s1)C[NH2+]CC2 ZINC000663496488 423890858 /nfs/dbraw/zinc/89/08/58/423890858.db2.gz GWBFPCFKRWRSQH-RKDXNWHRSA-N 2 0 254.403 1.004 10 0 CDAERP CC12CC(C1)C[N@@H+]2CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000662381670 424021587 /nfs/dbraw/zinc/02/15/87/424021587.db2.gz AANVOVAOVCGUDE-UHFFFAOYSA-N 2 0 277.412 1.214 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000662339330 423975887 /nfs/dbraw/zinc/97/58/87/423975887.db2.gz WOPPACSOLLUREY-XHSDSOJGSA-N 2 0 295.471 1.988 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1CCC(CC[NH3+])CC1 ZINC000652224661 424083598 /nfs/dbraw/zinc/08/35/98/424083598.db2.gz DWHBCFYFMTYCRX-UHFFFAOYSA-N 2 0 298.475 1.735 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000652225462 424090039 /nfs/dbraw/zinc/09/00/39/424090039.db2.gz ZUQORYJAJNPMEQ-LSDHHAIUSA-N 2 0 298.475 1.733 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000652202182 424052354 /nfs/dbraw/zinc/05/23/54/424052354.db2.gz CENQUAYCUBJATB-CQSZACIVSA-N 2 0 284.448 1.263 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N(C)CC[NH+](C)C ZINC000652287133 424187690 /nfs/dbraw/zinc/18/76/90/424187690.db2.gz OKUQMYQFNMOBGL-UHFFFAOYSA-N 2 0 278.400 1.109 10 0 CDAERP O=C(NCCC1CC[NH2+]CC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000652314145 424219260 /nfs/dbraw/zinc/21/92/60/424219260.db2.gz WJGUZUIGYJVOQI-HNNXBMFYSA-N 2 0 292.427 1.032 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)C1([NH2+]C2CC2)CCC1)C1CC1 ZINC000662689695 424321740 /nfs/dbraw/zinc/32/17/40/424321740.db2.gz WBGHQHNSPYAKFM-ZDUSSCGKSA-N 2 0 265.401 1.118 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000664718703 424325104 /nfs/dbraw/zinc/32/51/04/424325104.db2.gz IGNRIUHHKFORJL-BBRMVZONSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@H](CCCC[NH3+])NC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662779717 424445980 /nfs/dbraw/zinc/44/59/80/424445980.db2.gz MIUNXXHWNFBUBL-SECBINFHSA-N 2 0 268.361 1.116 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655483919 424486288 /nfs/dbraw/zinc/48/62/88/424486288.db2.gz JRYSJDNVYIUNSQ-RDJZCZTQSA-N 2 0 287.407 1.412 10 0 CDAERP [NH3+]C1(CC(=O)N2CC[NH2+]C[C@H]2c2ccccc2)CC1 ZINC000662816590 424503473 /nfs/dbraw/zinc/50/34/73/424503473.db2.gz WWSLCGDWPAXDNI-ZDUSSCGKSA-N 2 0 259.353 1.041 10 0 CDAERP C[C@@H](CC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)C1CC[NH2+]CC1 ZINC000655489694 424508144 /nfs/dbraw/zinc/50/81/44/424508144.db2.gz ZSUJYMXBBCWEOI-KCQAQPDRSA-N 2 0 281.444 1.469 10 0 CDAERP C[C@H]1C[N@H+](C)C[C@H]1N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665251336 424474458 /nfs/dbraw/zinc/47/44/58/424474458.db2.gz NCWLBVDLFDTJRU-RKTXRCNFSA-N 2 0 273.424 1.672 10 0 CDAERP [NH3+]CC12CCC(CC1)CN2C(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655481801 424476062 /nfs/dbraw/zinc/47/60/62/424476062.db2.gz LBWQOXYIQXHJDV-RIALXRMPSA-N 2 0 277.412 1.106 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@H](C)CCO ZINC000652048833 424634109 /nfs/dbraw/zinc/63/41/09/424634109.db2.gz VVMMAHSNZRVODN-GFCCVEGCSA-N 2 0 274.368 1.778 10 0 CDAERP CCCC[NH2+][C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)C ZINC001667494279 1173274937 /nfs/dbraw/zinc/27/49/37/1173274937.db2.gz UXQNMGWKAVKHLM-HUUCEWRRSA-N 2 0 283.460 1.859 10 0 CDAERP CC[NH+](CC)CCNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173265324 270244766 /nfs/dbraw/zinc/24/47/66/270244766.db2.gz HUZPHSYZRGCHJD-ZIAGYGMSSA-N 2 0 284.448 1.452 10 0 CDAERP [NH3+]C[C@@H]1C[N@H+](Cc2ccno2)C[C@H]1c1ccccc1 ZINC000393277506 270337075 /nfs/dbraw/zinc/33/70/75/270337075.db2.gz VYOSUUIITQBERW-HIFRSBDPSA-N 2 0 257.337 1.849 10 0 CDAERP COc1ccc(CC[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cn1 ZINC000530221891 271163275 /nfs/dbraw/zinc/16/32/75/271163275.db2.gz PMXYLUCSYGJBRV-KBPBESRZSA-N 2 0 263.385 1.882 10 0 CDAERP CN1C(=O)c2ccccc2[C@@H]1CN[C@@H]1CCC[C@@H]1[NH3+] ZINC000530224250 271167500 /nfs/dbraw/zinc/16/75/00/271167500.db2.gz LGYOXEYKJJMGJS-MJBXVCDLSA-N 2 0 259.353 1.283 10 0 CDAERP CC(C)(C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)C(=O)N1CCCC1 ZINC000530226154 271169853 /nfs/dbraw/zinc/16/98/53/271169853.db2.gz QDWGSJIGOPFWTE-OLZOCXBDSA-N 2 0 267.417 1.495 10 0 CDAERP C[NH+]1CCC(C(=O)Nc2cccc3c2C[NH2+]CC3)CC1 ZINC000375936870 273868272 /nfs/dbraw/zinc/86/82/72/273868272.db2.gz BCJIYQAZCKIQBA-UHFFFAOYSA-N 2 0 273.380 1.613 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCOCCOC)[C@H](C)C1 ZINC000175724746 276399387 /nfs/dbraw/zinc/39/93/87/276399387.db2.gz LAPIYYWDNCZOKY-KGLIPLIRSA-N 2 0 258.406 1.312 10 0 CDAERP C[N@@H+]1CCCC12CC[NH+]([C@H]1CCCC[C@H]1O)CC2 ZINC000336498419 277042459 /nfs/dbraw/zinc/04/24/59/277042459.db2.gz FAOXGIWWPYIHDP-UONOGXRCSA-N 2 0 252.402 1.850 10 0 CDAERP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCC(=O)NC2(C)C)CC1 ZINC000336519280 277152020 /nfs/dbraw/zinc/15/20/20/277152020.db2.gz CFUBHBJRULNRSI-CYBMUJFWSA-N 2 0 281.444 1.896 10 0 CDAERP COCCN1CC[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000446888111 277226345 /nfs/dbraw/zinc/22/63/45/277226345.db2.gz DBVOLOHNBCPPBT-OAHLLOKOSA-N 2 0 281.444 1.171 10 0 CDAERP COC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)C1CCOCC1 ZINC000188169076 277568192 /nfs/dbraw/zinc/56/81/92/277568192.db2.gz GVYYVOGBYWDQSD-MRXNPFEDSA-N 2 0 284.444 1.890 10 0 CDAERP CC1(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C[NH2+]C1 ZINC000335539317 278172301 /nfs/dbraw/zinc/17/23/01/278172301.db2.gz UCOUVGYIPRZAEE-HNNXBMFYSA-N 2 0 293.455 1.711 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000423909733 278222826 /nfs/dbraw/zinc/22/28/26/278222826.db2.gz FJMLKQZCAPCFKP-HNNXBMFYSA-N 2 0 293.455 1.755 10 0 CDAERP CC1(C)CN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)CC[NH2+]1 ZINC000335626464 278323473 /nfs/dbraw/zinc/32/34/73/278323473.db2.gz GLONIGDCQAQYGV-UHFFFAOYSA-N 2 0 287.407 1.199 10 0 CDAERP C[C@@H]1CN(C)C[C@H]1[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000358037053 288097356 /nfs/dbraw/zinc/09/73/56/288097356.db2.gz LZRTZOINWBDWJH-KLHDSHLOSA-N 2 0 283.460 1.416 10 0 CDAERP CC[NH+](CC)CCCN1CCC[N@@H+](C2CC2)CC1 ZINC000191779116 279094776 /nfs/dbraw/zinc/09/47/76/279094776.db2.gz HOMIZODWARKKJN-UHFFFAOYSA-N 2 0 253.434 1.888 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000108552251 279308293 /nfs/dbraw/zinc/30/82/93/279308293.db2.gz PALBTXOITBJNEC-ZIAGYGMSSA-N 2 0 284.448 1.358 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000233472897 279313027 /nfs/dbraw/zinc/31/30/27/279313027.db2.gz DCCIHXHHERKSIS-OLZOCXBDSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@H](CNC(=O)c1c[nH+]ccc1N(C)C)[N@H+](C)C1CC1 ZINC000183557355 279345745 /nfs/dbraw/zinc/34/57/45/279345745.db2.gz CACWCWHFRCUYHR-LLVKDONJSA-N 2 0 276.384 1.360 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H]1CC[NH+](C)[C@H]2CCC[C@H]21 ZINC000353391608 288124502 /nfs/dbraw/zinc/12/45/02/288124502.db2.gz DDGQAYWEHKUTTM-SOKJMZBUSA-N 2 0 277.456 1.932 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000417860135 288322051 /nfs/dbraw/zinc/32/20/51/288322051.db2.gz XSRHAFSLRAWALH-RQJABVFESA-N 2 0 282.432 1.156 10 0 CDAERP C[NH+](C)C(C)(C)CN[C@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353456728 289036437 /nfs/dbraw/zinc/03/64/37/289036437.db2.gz WSBQPVRYDDVKEJ-RDBSUJKOSA-N 2 0 253.434 1.789 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)N[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000424467368 289102288 /nfs/dbraw/zinc/10/22/88/289102288.db2.gz VMZGRRSDQKITIJ-NEXFUWMNSA-N 2 0 296.459 1.676 10 0 CDAERP CC(=O)NC1CCC([NH2+][C@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000155237968 289231988 /nfs/dbraw/zinc/23/19/88/289231988.db2.gz TXBJBEASESBCON-LLGZUXRYSA-N 2 0 279.428 1.649 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+][C@H](Cc1ccccc1)C(=O)N(C)C ZINC000422911917 289460970 /nfs/dbraw/zinc/46/09/70/289460970.db2.gz UVYNHUDIPUFHJK-GDBMZVCRSA-N 2 0 291.439 1.793 10 0 CDAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000414929750 289728696 /nfs/dbraw/zinc/72/86/96/289728696.db2.gz OKPHKXAHVQVHIL-LJISPDSOSA-N 2 0 253.434 1.885 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000418711244 289786228 /nfs/dbraw/zinc/78/62/28/289786228.db2.gz WGPSGQKSYBOYBC-XDQVBPFNSA-N 2 0 282.432 1.286 10 0 CDAERP C[C@@]1(CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CCC[NH2+]C1 ZINC000557226021 290337673 /nfs/dbraw/zinc/33/76/73/290337673.db2.gz GSLQQIYYLCDBNN-IJEWVQPXSA-N 2 0 294.443 1.017 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000562809368 293201067 /nfs/dbraw/zinc/20/10/67/293201067.db2.gz RGSOOGGDXDBAOV-GXSJLCMTSA-N 2 0 277.343 1.408 10 0 CDAERP C[NH2+]CCc1ccccc1C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000562980976 293232003 /nfs/dbraw/zinc/23/20/03/293232003.db2.gz PYRRHGMBDUOMHB-FZMZJTMJSA-N 2 0 261.369 1.010 10 0 CDAERP COC[C@](C)(O)CC[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423148169 293262832 /nfs/dbraw/zinc/26/28/32/293262832.db2.gz URLZFNSMFWVQJY-RBSFLKMASA-N 2 0 272.433 1.674 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)[C@@H]2CCCCC[NH2+]2)CC1 ZINC000563198429 293307386 /nfs/dbraw/zinc/30/73/86/293307386.db2.gz ZVUYUSKHYGNJPR-HNNXBMFYSA-N 2 0 281.444 1.757 10 0 CDAERP Cc1ccccc1[C@H]([NH3+])C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000565149449 293531236 /nfs/dbraw/zinc/53/12/36/293531236.db2.gz QJABQDRPFLXPMZ-GULBITTBSA-N 2 0 287.407 1.725 10 0 CDAERP Cn1cncc1CCC[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000568650297 294077820 /nfs/dbraw/zinc/07/78/20/294077820.db2.gz TXSMAMUGMQYUJL-OAHLLOKOSA-N 2 0 263.385 1.854 10 0 CDAERP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCCC23CC3)CC1 ZINC000568782773 294102758 /nfs/dbraw/zinc/10/27/58/294102758.db2.gz DGVLFASGUSEGRA-HNNXBMFYSA-N 2 0 265.445 1.936 10 0 CDAERP CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423140264 294318721 /nfs/dbraw/zinc/31/87/21/294318721.db2.gz MEKUBSVHZRTEGZ-JFGNBEQYSA-N 2 0 251.374 1.923 10 0 CDAERP C[C@H]1[NH2+]CC[C@H]1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000573441939 294818170 /nfs/dbraw/zinc/81/81/70/294818170.db2.gz PUEHUVLNGYWQKY-BLYZHGLHSA-N 2 0 265.401 1.118 10 0 CDAERP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000573905350 294907790 /nfs/dbraw/zinc/90/77/90/294907790.db2.gz KUOHZAIKPYXVAG-CZUORRHYSA-N 2 0 281.444 1.613 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000574517783 295011810 /nfs/dbraw/zinc/01/18/10/295011810.db2.gz AJIMUEJZVFYEKH-GOEBONIOSA-N 2 0 281.444 1.757 10 0 CDAERP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCC3(C2)CCCCC3)C1 ZINC000335271978 295216559 /nfs/dbraw/zinc/21/65/59/295216559.db2.gz LLJMBXVKEWHYNS-OAHLLOKOSA-N 2 0 293.455 1.840 10 0 CDAERP C[C@H](C[NH3+])N(C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000417929875 298532569 /nfs/dbraw/zinc/53/25/69/298532569.db2.gz JGUSOFDZGMQYRA-PNESKVBLSA-N 2 0 270.421 1.095 10 0 CDAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCN1CCCC1=O ZINC000422774979 298891857 /nfs/dbraw/zinc/89/18/57/298891857.db2.gz ZGFQDZGYSUTSGS-HUUCEWRRSA-N 2 0 281.444 1.899 10 0 CDAERP [NH3+]C[C@H](NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)C1CC1 ZINC000333865971 303416121 /nfs/dbraw/zinc/41/61/21/303416121.db2.gz SYFBWASZEIZAEN-GJZGRUSLSA-N 2 0 294.443 1.384 10 0 CDAERP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NCC[NH+]1CCCC1 ZINC000055131633 303451544 /nfs/dbraw/zinc/45/15/44/303451544.db2.gz XYKXEDNWBFBHQP-CHWSQXEVSA-N 2 0 253.390 1.106 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000228216655 303472845 /nfs/dbraw/zinc/47/28/45/303472845.db2.gz UMXHZZBSIFCJLR-MJBXVCDLSA-N 2 0 265.401 1.201 10 0 CDAERP [NH3+][C@H]1CCC[C@H](NC2CC([NH+]3CCCCC3)C2)C1 ZINC000566867022 316696149 /nfs/dbraw/zinc/69/61/49/316696149.db2.gz SMVYWDGUMCWOCT-HESLUPGFSA-N 2 0 251.418 1.863 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000577509824 317346159 /nfs/dbraw/zinc/34/61/59/317346159.db2.gz LZPIFZALLRCESM-GXTWGEPZSA-N 2 0 267.417 1.223 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CC2CCC2)C1 ZINC001672761742 1173797557 /nfs/dbraw/zinc/79/75/57/1173797557.db2.gz OTKPKVCHIJBCHO-HZPDHXFCSA-N 2 0 293.455 1.709 10 0 CDAERP CC[C@H]1CCCC[N@@H+]1CCNC(=O)CC(F)(F)CN ZINC000579137142 324117085 /nfs/dbraw/zinc/11/70/85/324117085.db2.gz HZLSWGMXTUZQFE-NSHDSACASA-N 2 0 277.359 1.351 10 0 CDAERP CN1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000693559785 1159101394 /nfs/dbraw/zinc/10/13/94/1159101394.db2.gz QBMXRWVXRXODPL-VNQPRFMTSA-N 2 0 259.397 1.712 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000584171432 327056660 /nfs/dbraw/zinc/05/66/60/327056660.db2.gz YNMRATVMDFHVEC-ILXRZTDVSA-N 2 0 281.444 1.742 10 0 CDAERP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000250357961 1159247054 /nfs/dbraw/zinc/24/70/54/1159247054.db2.gz QMBWAMDGEFSSQX-JHJVBQTASA-N 2 0 253.390 1.057 10 0 CDAERP COCCCC[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001267418165 1159372090 /nfs/dbraw/zinc/37/20/90/1159372090.db2.gz AQYUHOLCIDCSRX-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)CC[NH2+]Cc1cncc(C)c1 ZINC001267451948 1159379334 /nfs/dbraw/zinc/37/93/34/1159379334.db2.gz XNHJFKJEZOPYDN-UHFFFAOYSA-N 2 0 292.427 1.280 10 0 CDAERP CC[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001715777042 1159765842 /nfs/dbraw/zinc/76/58/42/1159765842.db2.gz KCXOTFITDPVHEW-ZDUSSCGKSA-N 2 0 255.406 1.319 10 0 CDAERP CC(C)CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001481682867 1159873178 /nfs/dbraw/zinc/87/31/78/1159873178.db2.gz NGTWJCKLYIJRMQ-PMPSAXMXSA-N 2 0 293.455 1.659 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]C/C=C/Cl)CC1 ZINC001482023653 1159964177 /nfs/dbraw/zinc/96/41/77/1159964177.db2.gz XKVQMTNVWDZGSH-KTFZIVJCSA-N 2 0 287.835 1.708 10 0 CDAERP CN(CCC[NH2+]C/C=C\Cl)C(=O)C12CC[NH+](CC1)C2 ZINC001268914738 1160022978 /nfs/dbraw/zinc/02/29/78/1160022978.db2.gz DYSOPSIGVDUTLS-KXFIGUGUSA-N 2 0 285.819 1.273 10 0 CDAERP C[NH+](C)CCCCNC(=O)[C@@H]1[NH2+]CC[C@@H]2CCCC[C@H]12 ZINC000383790001 1160217375 /nfs/dbraw/zinc/21/73/75/1160217375.db2.gz WHMUEIHMMSDTKQ-SOUVJXGZSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000668475049 482450115 /nfs/dbraw/zinc/45/01/15/482450115.db2.gz IFQOWLQJPPKAFB-IMJJTQAJSA-N 2 0 283.460 1.416 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000227381574 482451027 /nfs/dbraw/zinc/45/10/27/482451027.db2.gz VFBXECIDKDZGRR-MJBXVCDLSA-N 2 0 265.401 1.058 10 0 CDAERP CC(C)[NH+]1CCN(CCC[NH+]2C[C@@H](C)C(O)[C@H](C)C2)CC1 ZINC000661621437 482435664 /nfs/dbraw/zinc/43/56/64/482435664.db2.gz DXXQSNOVRHUQTL-HZPDHXFCSA-N 2 0 297.487 1.351 10 0 CDAERP C(CC1CC[NH2+]CC1)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000227379740 482451241 /nfs/dbraw/zinc/45/12/41/482451241.db2.gz WUUIODACEMCJHA-MRXNPFEDSA-N 2 0 265.445 1.936 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000417372899 482585300 /nfs/dbraw/zinc/58/53/00/482585300.db2.gz AAECTSQUGBDAKO-CABCVRRESA-N 2 0 296.459 1.678 10 0 CDAERP C[NH2+]C1CCN(C(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000237066883 482636771 /nfs/dbraw/zinc/63/67/71/482636771.db2.gz JPENTFSULPYDEO-HNNXBMFYSA-N 2 0 275.396 1.677 10 0 CDAERP C[NH2+]CCN(C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000417948518 482644641 /nfs/dbraw/zinc/64/46/41/482644641.db2.gz TVUVYNRUPDKVSI-HUUCEWRRSA-N 2 0 290.411 1.293 10 0 CDAERP c1cc(C[NH2+]C[C@H]2CCCOC2)n(-c2cc[nH+]cc2)n1 ZINC000657324815 482852856 /nfs/dbraw/zinc/85/28/56/482852856.db2.gz XRUBXHYFBYRTPE-CYBMUJFWSA-N 2 0 272.352 1.784 10 0 CDAERP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000167659415 482934953 /nfs/dbraw/zinc/93/49/53/482934953.db2.gz QPNRKJKSGTYUIM-OWCLPIDISA-N 2 0 293.455 1.885 10 0 CDAERP C[C@H]([NH2+]Cc1cc(C(N)=O)co1)C1CC[NH+](C)CC1 ZINC000681743736 482985208 /nfs/dbraw/zinc/98/52/08/482985208.db2.gz MRVVQRJDVVPYMI-JTQLQIEISA-N 2 0 265.357 1.198 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000250047491 483013374 /nfs/dbraw/zinc/01/33/74/483013374.db2.gz WHWQDDUBGYUOBM-RWMBFGLXSA-N 2 0 255.406 1.208 10 0 CDAERP c1cc2cnccc2c(CNC[C@H]2C[NH2+]CCCO2)c1 ZINC000666965294 483024676 /nfs/dbraw/zinc/02/46/76/483024676.db2.gz OFRJTKVUIJNSAD-OAHLLOKOSA-N 2 0 271.364 1.703 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089460921 483087656 /nfs/dbraw/zinc/08/76/56/483087656.db2.gz KJVKVEPGRMHPSD-UONOGXRCSA-N 2 0 267.417 1.210 10 0 CDAERP O[C@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)C[NH+]1CCCCC1 ZINC000669846733 483198312 /nfs/dbraw/zinc/19/83/12/483198312.db2.gz SPNIZDGTXVKXSN-GBJTYRQASA-N 2 0 252.402 1.611 10 0 CDAERP C[NH+]1CCN(Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667461498 483300000 /nfs/dbraw/zinc/30/00/00/483300000.db2.gz CZHSCOWRUMKTFW-UHFFFAOYSA-N 2 0 257.341 1.015 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000136408138 483402338 /nfs/dbraw/zinc/40/23/38/483402338.db2.gz BQJUHIKLMLAPNU-ZDUSSCGKSA-N 2 0 255.406 1.160 10 0 CDAERP C[NH+]1CCC(CCNC(=O)[C@@H]2CCc3nc[nH]c3C2)CC1 ZINC000667771150 483418949 /nfs/dbraw/zinc/41/89/49/483418949.db2.gz RKHQMHCLEOXQSU-CYBMUJFWSA-N 2 0 290.411 1.363 10 0 CDAERP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CO[C@@H](C3CC3)C2)C1 ZINC000667796235 483432347 /nfs/dbraw/zinc/43/23/47/483432347.db2.gz FHVHUFUMJPGAEF-BPLDGKMQSA-N 2 0 252.402 1.875 10 0 CDAERP CC[C@]1(O)CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668013608 483528015 /nfs/dbraw/zinc/52/80/15/483528015.db2.gz BAZLQWLIRFXGQT-HNNXBMFYSA-N 2 0 272.352 1.614 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](CO)CC1CC1 ZINC000680134053 483543517 /nfs/dbraw/zinc/54/35/17/483543517.db2.gz SWDRGHFBFYWYFG-HNNXBMFYSA-N 2 0 286.379 1.826 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H]2CO[C@@H](C3CC3)C2)C1 ZINC000668159275 483589721 /nfs/dbraw/zinc/58/97/21/483589721.db2.gz PRIHAEOXLROOEV-BPLDGKMQSA-N 2 0 252.402 1.874 10 0 CDAERP CC(C)CN(CC[NH+](C)C)Cc1cccnc1C[NH3+] ZINC000061656864 519716990 /nfs/dbraw/zinc/71/69/90/519716990.db2.gz WXDLKFOUOZYTOD-UHFFFAOYSA-N 2 0 264.417 1.560 10 0 CDAERP CC(C)[NH2+]Cc1cn(CC[N@@H+]2CCC[C@@H]2C)nn1 ZINC000052375926 519728254 /nfs/dbraw/zinc/72/82/54/519728254.db2.gz NTHIMASXUTYBOG-LBPRGKRZSA-N 2 0 251.378 1.260 10 0 CDAERP CC(C)C[NH+]1CCN(CC[NH2+]C2CCOCC2)CC1 ZINC000062767900 519726014 /nfs/dbraw/zinc/72/60/14/519726014.db2.gz WKWVXQSWVFLCCN-UHFFFAOYSA-N 2 0 269.433 1.029 10 0 CDAERP CC(C)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001483272290 1160888833 /nfs/dbraw/zinc/88/88/33/1160888833.db2.gz ROYPPLBRRAVORX-GJZGRUSLSA-N 2 0 283.460 2.000 10 0 CDAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CCF ZINC001483272307 1160888852 /nfs/dbraw/zinc/88/88/52/1160888852.db2.gz RZYVZROWOHIPQE-QWHCGFSZSA-N 2 0 273.396 1.313 10 0 CDAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOCCOC ZINC000054629026 519910426 /nfs/dbraw/zinc/91/04/26/519910426.db2.gz AILNUYZLPBPDRQ-AGUYFDCRSA-N 2 0 256.390 1.254 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@@H](CN2CC[NH+](CC(C)C)CC2)O1 ZINC000055082796 519952741 /nfs/dbraw/zinc/95/27/41/519952741.db2.gz ARJSULVZJUNVFJ-HOTGVXAUSA-N 2 0 283.460 1.417 10 0 CDAERP C[C@H](NC(=O)C[NH+]1CCCC1)C1CC[NH+](CCF)CC1 ZINC001486450708 1161456327 /nfs/dbraw/zinc/45/63/27/1161456327.db2.gz NXWBLLCMBRXJIB-ZDUSSCGKSA-N 2 0 285.407 1.268 10 0 CDAERP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC1CCC1 ZINC001725520628 1182034419 /nfs/dbraw/zinc/03/44/19/1182034419.db2.gz NRTJKJWFLPFISE-OCCSQVGLSA-N 2 0 267.417 1.175 10 0 CDAERP CC[C@@H](C[NH3+])C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000062032225 522527981 /nfs/dbraw/zinc/52/79/81/522527981.db2.gz GEUUYTDLNJAXLO-AWEZNQCLSA-N 2 0 267.417 1.306 10 0 CDAERP CCCC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001734228904 1183698683 /nfs/dbraw/zinc/69/86/83/1183698683.db2.gz GHGAOQXJLQOIFM-KGLIPLIRSA-N 2 0 269.433 1.755 10 0 CDAERP CC(C)(C)[NH+]1CCC(NC(=O)C2(C)CC[NH2+]CC2)CC1 ZINC000062840463 518705504 /nfs/dbraw/zinc/70/55/04/518705504.db2.gz BMSQOBOTLQXWAZ-UHFFFAOYSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)(C)[NH+]1CCN(C(=O)[C@H]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000055163073 518710432 /nfs/dbraw/zinc/71/04/32/518710432.db2.gz FRWFMUYPBUCMTA-KGLIPLIRSA-N 2 0 281.444 1.694 10 0 CDAERP CC(C)[NH+](CCNC(=O)[C@H]1CC[C@H](C)[C@@H]([NH3+])C1)C(C)C ZINC000055124988 519647669 /nfs/dbraw/zinc/64/76/69/519647669.db2.gz UJGOIYRXJKKVDA-KKUMJFAQSA-N 2 0 283.460 1.985 10 0 CDAERP CC(C)[NH2+]CCCC(=O)N[C@@H](C[NH+](C)C)C(C)C ZINC000049220859 519720599 /nfs/dbraw/zinc/72/05/99/519720599.db2.gz APOSPAAFTLNLRZ-ZDUSSCGKSA-N 2 0 257.422 1.467 10 0 CDAERP CC(C)C[NH+]1CCN([C@H](c2ccccn2)[C@H](C)[NH3+])CC1 ZINC000055077252 519728202 /nfs/dbraw/zinc/72/82/02/519728202.db2.gz UVGJEEGPRJLZAQ-HOCLYGCPSA-N 2 0 276.428 1.744 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)C[C@H](C)[NH2+]CC)CC1 ZINC000061273003 519843535 /nfs/dbraw/zinc/84/35/35/519843535.db2.gz QZFVEPKSWQVASD-ZDUSSCGKSA-N 2 0 269.433 1.707 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000049560221 519845834 /nfs/dbraw/zinc/84/58/34/519845834.db2.gz OMTDENLISPVYTK-CHWSQXEVSA-N 2 0 267.417 1.365 10 0 CDAERP CCC[NH+]1CCN(c2ncc([C@@H](C)[NH3+])s2)CC1 ZINC000054863939 519860420 /nfs/dbraw/zinc/86/04/20/519860420.db2.gz SHAIYXDSGLKOLD-SNVBAGLBSA-N 2 0 254.403 1.695 10 0 CDAERP CCC[NH+]1CCN(c2nc(CC)c(C[NH3+])s2)CC1 ZINC000054968970 519860488 /nfs/dbraw/zinc/86/04/88/519860488.db2.gz FRWYRRLCXJZVIQ-UHFFFAOYSA-N 2 0 268.430 1.696 10 0 CDAERP CCOCCC[NH2+]C[C@H](C)N1CCC[C@@H]1C[NH+](C)C ZINC000061655147 519896746 /nfs/dbraw/zinc/89/67/46/519896746.db2.gz OUIBXRWXDRMJRW-LSDHHAIUSA-N 2 0 271.449 1.417 10 0 CDAERP CC[NH2+]CCC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000061298365 519916170 /nfs/dbraw/zinc/91/61/70/519916170.db2.gz IWPYPTOHESDYCC-INIZCTEOSA-N 2 0 289.423 1.939 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000061233384 519962118 /nfs/dbraw/zinc/96/21/18/519962118.db2.gz ANCORUZNNGMJBV-LBPRGKRZSA-N 2 0 255.406 1.221 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)NCc1ccccc1C[NH+](C)C ZINC000061267461 519963270 /nfs/dbraw/zinc/96/32/70/519963270.db2.gz XCXSLNBKHQAJGY-ZDUSSCGKSA-N 2 0 277.412 1.610 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@@H](CN2CC[NH+](C(C)(C)C)CC2)O1 ZINC000052571692 519977230 /nfs/dbraw/zinc/97/72/30/519977230.db2.gz ITANFVMAMKHSGC-CABCVRRESA-N 2 0 283.460 1.560 10 0 CDAERP CCC[NH2+][C@@H](CC)[C@H](C)N1CCN(CC[NH+](C)C)CC1 ZINC000061644036 519993703 /nfs/dbraw/zinc/99/37/03/519993703.db2.gz QYCWMRMBFNXBGU-HOTGVXAUSA-N 2 0 284.492 1.332 10 0 CDAERP CC[NH2+]Cc1ccc(N2CCC[C@@H]2C[NH+](C)C)nn1 ZINC000061654236 519998227 /nfs/dbraw/zinc/99/82/27/519998227.db2.gz MRURERUGPXDGOY-CYBMUJFWSA-N 2 0 263.389 1.117 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)NCC[NH+](C(C)C)C(C)C ZINC000061268774 520063843 /nfs/dbraw/zinc/06/38/43/520063843.db2.gz GGYDGHSTJXLXGF-ZDUSSCGKSA-N 2 0 257.422 1.610 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)NCc1ccccc1C[NH+](C)C ZINC000061273911 520166657 /nfs/dbraw/zinc/16/66/57/520166657.db2.gz LZPWWRKHIULILI-CYBMUJFWSA-N 2 0 277.412 1.753 10 0 CDAERP CC[NH+](CC)C1CCN(C(=O)[C@]2(C)CCC[NH2+]C2)CC1 ZINC000062857862 520568552 /nfs/dbraw/zinc/56/85/52/520568552.db2.gz NQQGAPPDRZBSFE-MRXNPFEDSA-N 2 0 281.444 1.709 10 0 CDAERP CCCCNC(=O)CN1CCC[N@@H+]([C@@H](CC)CC[NH3+])CC1 ZINC000049280054 520614820 /nfs/dbraw/zinc/61/48/20/520614820.db2.gz SNNWEWRFCIKMCW-HNNXBMFYSA-N 2 0 298.475 1.038 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(CC[NH2+]C2CCOCC2)C1 ZINC000062974407 520847360 /nfs/dbraw/zinc/84/73/60/520847360.db2.gz PTPBRJJTNUCJQD-OAHLLOKOSA-N 2 0 269.433 1.171 10 0 CDAERP CCC[C@@]1(C(=O)NCCCC[NH+](C)C)CC[NH2+]C1 ZINC000062902944 520942527 /nfs/dbraw/zinc/94/25/27/520942527.db2.gz KRKJZNJHBGSFBR-CQSZACIVSA-N 2 0 255.406 1.224 10 0 CDAERP CCCC[C@H]([NH3+])C(=O)N1CC[NH+]([C@H](C)CC)CC1 ZINC000055078424 521204724 /nfs/dbraw/zinc/20/47/24/521204724.db2.gz URPBAQLTQDCDGB-OLZOCXBDSA-N 2 0 255.406 1.447 10 0 CDAERP CCC[C@]1(C(=O)NCC(C)(C)[NH+](C)C)CC[NH2+]C1 ZINC000062899410 521299236 /nfs/dbraw/zinc/29/92/36/521299236.db2.gz KREUHGLLXCPSIA-AWEZNQCLSA-N 2 0 255.406 1.223 10 0 CDAERP CC[NH+]1CCC(N(C)Cc2cc(C[NH2+]C)no2)CC1 ZINC000052544008 521563852 /nfs/dbraw/zinc/56/38/52/521563852.db2.gz PEQRQDJPBYKGLK-UHFFFAOYSA-N 2 0 266.389 1.310 10 0 CDAERP C[NH+](C)CCN1CC[NH+](C[C@H]2CCCCC[C@H]2O)CC1 ZINC000061654129 521763771 /nfs/dbraw/zinc/76/37/71/521763771.db2.gz FQXCEFYDSAVZHP-HZPDHXFCSA-N 2 0 283.460 1.107 10 0 CDAERP C[NH+](C)CCN1CCN(C[C@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000061652491 521765648 /nfs/dbraw/zinc/76/56/48/521765648.db2.gz CDFLZTRMIWNEEG-ZACQAIPSSA-N 2 0 294.487 1.086 10 0 CDAERP CN(C)C[C@@H]1CCC[N@@H+]1Cc1ccc(C(N)=[NH2+])cc1 ZINC000061644685 521839968 /nfs/dbraw/zinc/83/99/68/521839968.db2.gz WHNOJFZSUNUNNP-AWEZNQCLSA-N 2 0 260.385 1.497 10 0 CDAERP C[NH2+]CCC1CC[NH+](CCCC(=O)N(C)C)CC1 ZINC000070190057 521985631 /nfs/dbraw/zinc/98/56/31/521985631.db2.gz BVCCVEFCNJOTBS-UHFFFAOYSA-N 2 0 255.406 1.176 10 0 CDAERP C[NH2+]C[C@@H](C)CN1CCC([NH+]2CCCCC2)CC1 ZINC000052484187 522030678 /nfs/dbraw/zinc/03/06/78/522030678.db2.gz HQTMUSLPCYWQEI-CQSZACIVSA-N 2 0 253.434 1.792 10 0 CDAERP CC[C@@H](C)[N@H+](CCOC)CCN1CCC[NH2+]CC1 ZINC000061275521 522092778 /nfs/dbraw/zinc/09/27/78/522092778.db2.gz RJSTYOMSYBWGLM-CQSZACIVSA-N 2 0 257.422 1.029 10 0 CDAERP C[NH2+]C[C@H]1CC[C@H](CN2CC[NH+](C(C)(C)C)CC2)O1 ZINC000052571686 522096700 /nfs/dbraw/zinc/09/67/00/522096700.db2.gz USLYMHNXRBNQSI-ZIAGYGMSSA-N 2 0 269.433 1.170 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000055088202 522111327 /nfs/dbraw/zinc/11/13/27/522111327.db2.gz SINYQVIXNCXIDJ-MCIONIFRSA-N 2 0 267.417 1.447 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(CC[NH2+]CCN(CC)CC)CC1 ZINC000055075122 522122082 /nfs/dbraw/zinc/12/20/82/522122082.db2.gz YIFNSTZVFSDRBN-MRXNPFEDSA-N 2 0 284.492 1.334 10 0 CDAERP C[NH2+]Cc1ccc(OCCN2CCC[N@H+](C)CC2)cc1 ZINC000052424249 522122329 /nfs/dbraw/zinc/12/23/29/522122329.db2.gz YPMLOLQUCMNSSZ-UHFFFAOYSA-N 2 0 277.412 1.422 10 0 CDAERP C[NH2+]Cc1cn(CC[NH+]2CCCCCCC2)nn1 ZINC000052424983 522144017 /nfs/dbraw/zinc/14/40/17/522144017.db2.gz UVVPNKZJKMCIHY-UHFFFAOYSA-N 2 0 251.378 1.264 10 0 CDAERP C[NH2+]Cc1cnc(N2CC[NH+](C(C)(C)C)CC2)s1 ZINC000054908846 522146850 /nfs/dbraw/zinc/14/68/50/522146850.db2.gz PTOPOHMWAOYHNQ-UHFFFAOYSA-N 2 0 268.430 1.783 10 0 CDAERP COC[C@@H](C)[N@H+](C)CCCC(=O)Nc1ccc(C[NH3+])cc1 ZINC000049026670 522215325 /nfs/dbraw/zinc/21/53/25/522215325.db2.gz DHKSEBRKTZXEEW-CYBMUJFWSA-N 2 0 293.411 1.831 10 0 CDAERP CC[C@H]([NH3+])[C@H](N1CCN(CC[NH+](C)C)CC1)C(C)(C)C ZINC000061642370 522341455 /nfs/dbraw/zinc/34/14/55/522341455.db2.gz CRJYVJBFBLGZFF-GJZGRUSLSA-N 2 0 284.492 1.318 10 0 CDAERP CC[C@@H](CC[NH3+])[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000052815663 522496696 /nfs/dbraw/zinc/49/66/96/522496696.db2.gz ZFJWVJCFFPFQFT-ZDUSSCGKSA-N 2 0 263.389 1.116 10 0 CDAERP CC[C@@H](C[NH2+]C(C)(C)C)N1CCN(CC[NH+](C)C)CC1 ZINC000061654994 522544086 /nfs/dbraw/zinc/54/40/86/522544086.db2.gz RJPJJEGZHMLDCA-HNNXBMFYSA-N 2 0 284.492 1.332 10 0 CDAERP CN(CC[NH2+]Cc1cccs1)C1CC[NH+](C)CC1 ZINC000053344203 522865766 /nfs/dbraw/zinc/86/57/66/522865766.db2.gz XWFSEHSPGRNGAR-UHFFFAOYSA-N 2 0 267.442 1.864 10 0 CDAERP CCn1cnnc1[C@H]1CCC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000163479981 523603569 /nfs/dbraw/zinc/60/35/69/523603569.db2.gz OFSFBNFKCPROLG-GJZGRUSLSA-N 2 0 291.443 1.962 10 0 CDAERP COCC[N@H+](CC(C)C)CC1(C[NH3+])CCOCC1 ZINC000052182459 523679957 /nfs/dbraw/zinc/67/99/57/523679957.db2.gz GNJXZVYVKGNUTC-UHFFFAOYSA-N 2 0 258.406 1.346 10 0 CDAERP CCn1nccc1CC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000338548575 523711554 /nfs/dbraw/zinc/71/15/54/523711554.db2.gz JXAWYVGZGAAQEP-AWEZNQCLSA-N 2 0 264.417 1.719 10 0 CDAERP COCC[N@H+](Cc1occc1C[NH3+])[C@H](C)C1CC1 ZINC000052545356 523778432 /nfs/dbraw/zinc/77/84/32/523778432.db2.gz WJKHXNMXFYWPMU-LLVKDONJSA-N 2 0 252.358 1.985 10 0 CDAERP COCC[N@H+]([C@H](C)CCC[NH2+]C1CC1)[C@@H](C)COC ZINC000052572405 523781554 /nfs/dbraw/zinc/78/15/54/523781554.db2.gz BDFCYQVCVSYWLF-KGLIPLIRSA-N 2 0 272.433 1.890 10 0 CDAERP C[NH+]1CCN([C@@H](C[NH2+]C2CC2)c2ccccc2)CC1 ZINC000052379606 523918575 /nfs/dbraw/zinc/91/85/75/523918575.db2.gz RVIZCCBGJKUCEX-INIZCTEOSA-N 2 0 259.397 1.727 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000055077869 523948984 /nfs/dbraw/zinc/94/89/84/523948984.db2.gz ADVBHAVSZNKZDJ-VGWMRTNUSA-N 2 0 293.455 1.850 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000055078257 523949172 /nfs/dbraw/zinc/94/91/72/523949172.db2.gz QPNBCYWZGBFUOW-UONOGXRCSA-N 2 0 267.417 1.319 10 0 CDAERP CC[C@H](C)[NH+]1CCN([C@H](c2cccnc2)[C@@H](C)[NH3+])CC1 ZINC000055064096 523958953 /nfs/dbraw/zinc/95/89/53/523958953.db2.gz HGWZPGVNIRSBLZ-LZWOXQAQSA-N 2 0 276.428 1.886 10 0 CDAERP C[N@@H+]1CC[C@H](C[NH2+]CCCOCC(F)(F)F)C1 ZINC000049312354 523980597 /nfs/dbraw/zinc/98/05/97/523980597.db2.gz YSWQQCUCYUDYKA-SNVBAGLBSA-N 2 0 254.296 1.497 10 0 CDAERP C[C@H]1CCC[NH2+][C@@H]1C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000051793994 524125862 /nfs/dbraw/zinc/12/58/62/524125862.db2.gz ZPNYBQFJIPBLBJ-JSGCOSHPSA-N 2 0 267.417 1.175 10 0 CDAERP COc1ccc(F)c(C[NH2+]CCOCC[NH+](C)C)c1 ZINC000339363011 524275149 /nfs/dbraw/zinc/27/51/49/524275149.db2.gz QRVWNFQVTVVZLU-UHFFFAOYSA-N 2 0 270.348 1.502 10 0 CDAERP C[C@H](C[NH+]1CCCC1)NC(=O)CC1CCC([NH3+])CC1 ZINC000055140699 524314771 /nfs/dbraw/zinc/31/47/71/524314771.db2.gz QKOPAMGXBVPFDE-IYXRBSQSSA-N 2 0 267.417 1.495 10 0 CDAERP C[C@@H](CC[NH+](C)C)NC(=O)CCC1CCC([NH3+])CC1 ZINC000055140882 524467328 /nfs/dbraw/zinc/46/73/28/524467328.db2.gz VJZHKIJBJJDPNY-HSBZDZAISA-N 2 0 269.433 1.741 10 0 CDAERP C[C@@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000055123271 524684996 /nfs/dbraw/zinc/68/49/96/524684996.db2.gz HTXOAWVBPFCAAD-DYEKYZERSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@@H](C[NH2+]C1CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000052417086 524735835 /nfs/dbraw/zinc/73/58/35/524735835.db2.gz FNZIBQYZOKGYKZ-HNNXBMFYSA-N 2 0 273.424 1.945 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)CC[C@@H]1[NH3+] ZINC000055131529 524765710 /nfs/dbraw/zinc/76/57/10/524765710.db2.gz FTIUWLLBPYIVKI-FQUUOJAGSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@H]([NH3+])c1cnc(N2CC[NH+](CC3CC3)CC2)s1 ZINC000054898785 524869136 /nfs/dbraw/zinc/86/91/36/524869136.db2.gz PDCJBRGUGICHAN-JTQLQIEISA-N 2 0 266.414 1.695 10 0 CDAERP C[C@@H]1C[C@@H]([NH3+])CC[C@@H]1C(=O)NCCCC[NH+](C)C ZINC000055138997 525247325 /nfs/dbraw/zinc/24/73/25/525247325.db2.gz CFCNYRGVNYWMDC-AGIUHOORSA-N 2 0 255.406 1.208 10 0 CDAERP C[C@]1([NH2+]CCC[C@@H]2CCCC[NH2+]2)CCS(=O)(=O)C1 ZINC000050954036 525296473 /nfs/dbraw/zinc/29/64/73/525296473.db2.gz KHDLYGQVMMTBPU-STQMWFEESA-N 2 0 274.430 1.076 10 0 CDAERP C[C@@H]1[C@@H](C)CCC[N@@H+]1CCC(=O)N(C)CCC[NH3+] ZINC000050563601 525640487 /nfs/dbraw/zinc/64/04/87/525640487.db2.gz QGISMOASAHAHPS-QWHCGFSZSA-N 2 0 255.406 1.304 10 0 CDAERP C[C@H]1CCC(=O)[C@@H](C[NH+]2CCN(CC[NH+](C)C)CC2)C1 ZINC000061653422 526237158 /nfs/dbraw/zinc/23/71/58/526237158.db2.gz UKJFHXFOXARFGV-LSDHHAIUSA-N 2 0 281.444 1.171 10 0 CDAERP [NH3+]CCCN1CC[NH+](CCCOc2ccccc2)CC1 ZINC000061815633 527180922 /nfs/dbraw/zinc/18/09/22/527180922.db2.gz FXWDBGIZESYWLX-UHFFFAOYSA-N 2 0 277.412 1.422 10 0 CDAERP [NH3+]C[C@H]1CC[C@@H](C[NH+]2CCN(Cc3ccccc3)CC2)O1 ZINC000052417118 527239011 /nfs/dbraw/zinc/23/90/11/527239011.db2.gz SLPLUEQNTIGCTE-SJORKVTESA-N 2 0 289.423 1.311 10 0 CDAERP [NH3+]Cc1ccc(CN2CC[C@H]([NH+]3CCCC3)C2)c(F)c1 ZINC000062978097 527252825 /nfs/dbraw/zinc/25/28/25/527252825.db2.gz JLIXUWZWSIXXNY-HNNXBMFYSA-N 2 0 277.387 1.955 10 0 CDAERP [NH3+]Cc1cnc(N2CC[NH+](C3CCCC3)CC2)s1 ZINC000054896347 527261701 /nfs/dbraw/zinc/26/17/01/527261701.db2.gz GMSCSMNSDRPVSY-UHFFFAOYSA-N 2 0 266.414 1.666 10 0 CDAERP [NH3+][C@H]1COc2cc(OCC[NH+]3CCCCC3)ccc21 ZINC000062803553 527417019 /nfs/dbraw/zinc/41/70/19/527417019.db2.gz SLFBHIRSRZMJBP-AWEZNQCLSA-N 2 0 262.353 1.944 10 0 CDAERP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)nc1 ZINC000427493336 535016482 /nfs/dbraw/zinc/01/64/82/535016482.db2.gz TVXIEDPSESRMJM-CYBMUJFWSA-N 2 0 292.427 1.602 10 0 CDAERP CCC[NH+]1CCC(NC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000334604132 535354237 /nfs/dbraw/zinc/35/42/37/535354237.db2.gz TWXIMGVTINVSBQ-DZGCQCFKSA-N 2 0 294.443 1.254 10 0 CDAERP CCOC(=O)CCCCC[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422642076 535625575 /nfs/dbraw/zinc/62/55/75/535625575.db2.gz YZWUDVXGBWDJBE-UHFFFAOYSA-N 2 0 268.401 1.938 10 0 CDAERP C[NH+](C)C[C@@H]1CC[N@H+](C[C@@](C)(O)c2ccccc2)C1 ZINC000246333599 535943932 /nfs/dbraw/zinc/94/39/32/535943932.db2.gz HASMSLMQBRFIFM-GOEBONIOSA-N 2 0 262.397 1.778 10 0 CDAERP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N1CCC([NH3+])CC1 ZINC000418659903 535977563 /nfs/dbraw/zinc/97/75/63/535977563.db2.gz YCQXKQHXFHJEIT-HNNXBMFYSA-N 2 0 290.411 1.382 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](C)N1CCc2ccccc21 ZINC000422710963 536596973 /nfs/dbraw/zinc/59/69/73/536596973.db2.gz GOLPBYOJRLMUGC-GOEBONIOSA-N 2 0 291.439 1.781 10 0 CDAERP CC[N@H+](C)[C@H]1CCN(C(=O)N[C@H](C)C2=CC[NH+](C)CC2)C1 ZINC001680009099 1174521372 /nfs/dbraw/zinc/52/13/72/1174521372.db2.gz KJQLHVHKJCRRAI-HIFRSBDPSA-N 2 0 294.443 1.372 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CCN(CC=C(C)C)CC2)CC[N@@H+]1C ZINC001688695850 1175011430 /nfs/dbraw/zinc/01/14/30/1175011430.db2.gz OAPWPNSHTVJGFT-JKSUJKDBSA-N 2 0 293.455 1.827 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001689229931 1175122633 /nfs/dbraw/zinc/12/26/33/1175122633.db2.gz HMTYWRAUKPBWCA-CVEARBPZSA-N 2 0 293.455 1.685 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)CCC(C)C ZINC001689923645 1175309208 /nfs/dbraw/zinc/30/92/08/1175309208.db2.gz HCDWFXHQXLBZTB-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[C@H](CN[C@H]1CC[NH2+]C12CCC2)[NH+]1CCCC1 ZINC000925606346 617548598 /nfs/dbraw/zinc/54/85/98/617548598.db2.gz NISNKAMERXYPGQ-GJZGRUSLSA-N 2 0 265.445 1.981 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCSCCCO)C1 ZINC000925608033 617550449 /nfs/dbraw/zinc/55/04/49/617550449.db2.gz DYCAMXNZYNJNNL-RYUDHWBXSA-N 2 0 260.447 1.598 10 0 CDAERP CC(C)COC[C@H](O)C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925613239 617558277 /nfs/dbraw/zinc/55/82/77/617558277.db2.gz QURUOLSEPRQVPN-MELADBBJSA-N 2 0 272.433 1.516 10 0 CDAERP Cc1nn(C)c(C)c1CCC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925630205 617576794 /nfs/dbraw/zinc/57/67/94/617576794.db2.gz OJGDDVWLSPTNSQ-CABCVRRESA-N 2 0 276.428 1.829 10 0 CDAERP CCO[C@H](CN[C@H](C)C[C@@H]1CCCCC[NH2+]1)C[NH+](C)C ZINC000925843100 617875057 /nfs/dbraw/zinc/87/50/57/617875057.db2.gz ZFCQCPRJSCHMAZ-OWCLPIDISA-N 2 0 285.476 1.854 10 0 CDAERP C[NH+](C)CCOCC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925649597 617592048 /nfs/dbraw/zinc/59/20/48/617592048.db2.gz LRCMBKQXNFXDIL-CHWSQXEVSA-N 3 0 257.422 1.060 10 0 CDAERP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)C1CC[NH+](C)CC1 ZINC000925785516 617708202 /nfs/dbraw/zinc/70/82/02/617708202.db2.gz UTCNINKLTSFQGU-WCQYABFASA-N 3 0 275.387 1.551 10 0 CDAERP C(C[C@H]1CC[NH2+]C1)[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000925694294 617714880 /nfs/dbraw/zinc/71/48/80/617714880.db2.gz RVYUKNSAYPCFGL-CBBWQLFWSA-N 2 0 252.402 1.781 10 0 CDAERP C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)C1CC[NH+](C)CC1 ZINC000222638504 617742341 /nfs/dbraw/zinc/74/23/41/617742341.db2.gz BJXNIEZSURIHMI-SCZZXKLOSA-N 2 0 254.296 1.230 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]C2CC(CC(N)=O)C2)C1 ZINC000925824356 617801647 /nfs/dbraw/zinc/80/16/47/617801647.db2.gz SBMRQMHFDPNMTL-POSLAHMBSA-N 2 0 253.390 1.136 10 0 CDAERP C[C@H](CCC1CC1)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925854722 617892497 /nfs/dbraw/zinc/89/24/97/617892497.db2.gz JPOQFFAFVQVCDH-OCCSQVGLSA-N 2 0 280.412 1.840 10 0 CDAERP C[C@@H](C[NH2+][C@@H](C)c1ccns1)N1CC[NH+](C)CC1 ZINC000924962829 618445051 /nfs/dbraw/zinc/44/50/51/618445051.db2.gz CFVOJMLMLYWTGP-RYUDHWBXSA-N 2 0 268.430 1.430 10 0 CDAERP CC(C)[N@H+](C)CCN[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000924904320 618738450 /nfs/dbraw/zinc/73/84/50/618738450.db2.gz QBOUXSZECMJOPA-HUUCEWRRSA-N 2 0 253.434 1.933 10 0 CDAERP O[C@@H](C[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1)C[NH+]1CCCC1 ZINC000902762945 625298002 /nfs/dbraw/zinc/29/80/02/625298002.db2.gz RUDFKSLDMZHETC-XGUBFFRZSA-N 2 0 252.402 1.611 10 0 CDAERP CSC1(C[NH2+]Cc2c(C)ccnc2N)CC[NH+](C)CC1 ZINC000894793008 619065854 /nfs/dbraw/zinc/06/58/54/619065854.db2.gz BWUOZFJEQXQLLN-UHFFFAOYSA-N 2 0 294.468 1.889 10 0 CDAERP COC(=O)[C@H]1[C@@H](C[NH2+]C2CCC([NH+](C)C)CC2)C1(F)F ZINC000895034278 619211955 /nfs/dbraw/zinc/21/19/55/619211955.db2.gz QOOIWFHAOVJEOQ-KIDURHIOSA-N 2 0 290.354 1.503 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCOC[C@H]1CCOC1 ZINC000925115938 619355359 /nfs/dbraw/zinc/35/53/59/619355359.db2.gz UUMVPFGZSVUBPP-JZWPEALZSA-N 2 0 282.428 1.359 10 0 CDAERP CCc1nccn1[C@@H](C)CC(=O)NC[C@H]1CC[N@@H+]1C ZINC000928555584 619364624 /nfs/dbraw/zinc/36/46/24/619364624.db2.gz USDLCWCISATZMB-NWDGAFQWSA-N 2 0 264.373 1.217 10 0 CDAERP C[NH+](C)CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000895470385 619682723 /nfs/dbraw/zinc/68/27/23/619682723.db2.gz WLXBSEBNKDSEBO-HZPDHXFCSA-N 2 0 289.423 1.747 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)[NH+](C)C ZINC000895679665 619802009 /nfs/dbraw/zinc/80/20/09/619802009.db2.gz HVCALVVUBKNGMB-NUEKZKHPSA-N 2 0 289.423 1.746 10 0 CDAERP CC(C)([NH3+])CC(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000870990621 620566108 /nfs/dbraw/zinc/56/61/08/620566108.db2.gz AIRMQQCNTNNKGQ-AWEZNQCLSA-N 2 0 255.406 1.337 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CO[C@@H](C)[C@@H]1C ZINC000925241855 620611103 /nfs/dbraw/zinc/61/11/03/620611103.db2.gz SYDSDJKMTJNAHQ-IGQOVBAYSA-N 2 0 258.406 1.356 10 0 CDAERP CC[C@H]1CCN(C(=[NH2+])NC[C@@H]2CCC[N@@H+]2CC)C1 ZINC000864452462 620922327 /nfs/dbraw/zinc/92/23/27/620922327.db2.gz QUHGSTMUMRXTKV-STQMWFEESA-N 2 0 252.406 1.727 10 0 CDAERP C[NH+](C)[C@@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C1(C)C ZINC000898103081 621337023 /nfs/dbraw/zinc/33/70/23/621337023.db2.gz RVHNXQKTBIUKAV-QWHCGFSZSA-N 2 0 267.417 1.316 10 0 CDAERP CC[NH+]1CCN([C@@H](C)C[NH2+]C2CC3(C2)CO[C@@H](C)C3)CC1 ZINC000924671862 621649046 /nfs/dbraw/zinc/64/90/46/621649046.db2.gz QXHLKHKNHSBFOL-JUVOFCAFSA-N 2 0 295.471 1.560 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)N[C@@H]1CCCN(CCF)C1 ZINC000898503624 621779994 /nfs/dbraw/zinc/77/99/94/621779994.db2.gz LOPPEHUJRHOACT-CHWSQXEVSA-N 2 0 285.407 1.409 10 0 CDAERP C[C@H](NC(=[NH2+])NCCC[N@@H+]1CCCO[C@@H](C)C1)C1CC1 ZINC000899271719 622136822 /nfs/dbraw/zinc/13/68/22/622136822.db2.gz LJSUQWKGVBLHHM-STQMWFEESA-N 2 0 282.432 1.400 10 0 CDAERP c1c([C@@H]2CCCC[NH2+]2)nnn1C[C@H]1CCCC[NH2+]C1 ZINC000899742017 622403759 /nfs/dbraw/zinc/40/37/59/622403759.db2.gz RJFMXVJEIZTYDJ-STQMWFEESA-N 2 0 263.389 1.482 10 0 CDAERP CC[NH+](CC)CCN(CC(C)C)C(=O)C12CC[NH+](CC1)C2 ZINC000900282649 622852701 /nfs/dbraw/zinc/85/27/01/622852701.db2.gz KKGRJHNCEPQSHC-UHFFFAOYSA-N 2 0 295.471 1.909 10 0 CDAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH+]1CCC(C)CC1 ZINC000900407178 623011234 /nfs/dbraw/zinc/01/12/34/623011234.db2.gz YAFPURGCTRJFTB-AWEZNQCLSA-N 2 0 279.428 1.319 10 0 CDAERP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC000901136667 623896187 /nfs/dbraw/zinc/89/61/87/623896187.db2.gz ZNPVUZZRSSVSAZ-KGLIPLIRSA-N 2 0 277.412 1.025 10 0 CDAERP CC(C)C[C@@H]([NH2+]C[C@@]1(O)CCN(C)C1)C1CCOCC1 ZINC000902954289 625688321 /nfs/dbraw/zinc/68/83/21/625688321.db2.gz UTILZAPOUNLRHS-CVEARBPZSA-N 2 0 284.444 1.484 10 0 CDAERP C1C[C@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)[C@@H]([C@H]2CCCC[NH2+]2)C1 ZINC000902469627 624863304 /nfs/dbraw/zinc/86/33/04/624863304.db2.gz ZDCZOMJCNJBBJV-FGZZBPHYSA-N 2 0 263.429 1.780 10 0 CDAERP CN1C[C@H](CC[NH2+]C2CC[NH+](CC3CC3)CC2)CC1=O ZINC000903220347 625917810 /nfs/dbraw/zinc/91/78/10/625917810.db2.gz UWHMVBAORAHXMD-CQSZACIVSA-N 2 0 279.428 1.319 10 0 CDAERP C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)C[C@@H]1COc2ccccc2O1 ZINC000903427404 625988842 /nfs/dbraw/zinc/98/88/42/625988842.db2.gz ZBCUSDQWNBQYDU-HZSPNIEDSA-N 2 0 276.380 1.886 10 0 CDAERP CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903435140 625991187 /nfs/dbraw/zinc/99/11/87/625991187.db2.gz PPJHPQNEYSHLJU-ILXRZTDVSA-N 2 0 295.471 1.988 10 0 CDAERP CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903458873 625994351 /nfs/dbraw/zinc/99/43/51/625994351.db2.gz MESVMVVOHMEJOQ-QPSCCSFWSA-N 2 0 297.443 1.689 10 0 CDAERP Cc1nc([C@@H]2CC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)no1 ZINC000903490814 626010751 /nfs/dbraw/zinc/01/07/51/626010751.db2.gz JIAJPFJJFYJAFY-NWDGAFQWSA-N 2 0 250.346 1.167 10 0 CDAERP COc1ccccc1NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903494764 626011265 /nfs/dbraw/zinc/01/12/65/626011265.db2.gz NVSHMZXHQBGGGR-CHWSQXEVSA-N 2 0 291.395 1.550 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC=C(Cl)Cl)C2 ZINC000903494503 626011304 /nfs/dbraw/zinc/01/13/04/626011304.db2.gz HESFNAAOKMRALQ-SBMIAAHKSA-N 2 0 293.194 1.518 10 0 CDAERP CNC(=O)c1ccc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1 ZINC000903496901 626011968 /nfs/dbraw/zinc/01/19/68/626011968.db2.gz JILHBNFXVSWCLA-IUODEOHRSA-N 2 0 275.396 1.463 10 0 CDAERP C[C@]1([C@@H]2CCC[N@H+](CCC3CC[NH2+]CC3)C2)COC(=O)N1 ZINC000903561926 626019596 /nfs/dbraw/zinc/01/95/96/626019596.db2.gz RIKSJVKOOYIDRI-GDBMZVCRSA-N 2 0 295.427 1.587 10 0 CDAERP C[C@]1(C2CC[NH+](CCC3CC[NH2+]CC3)CC2)COC(=O)N1 ZINC000903563429 626020280 /nfs/dbraw/zinc/02/02/80/626020280.db2.gz CLSLIDPNSFKAOF-MRXNPFEDSA-N 2 0 295.427 1.587 10 0 CDAERP Cn1nccc1[C@H]1CCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000903566034 626021382 /nfs/dbraw/zinc/02/13/82/626021382.db2.gz HPABQNQSOPHORP-OAHLLOKOSA-N 2 0 262.401 1.947 10 0 CDAERP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000903740053 626078616 /nfs/dbraw/zinc/07/86/16/626078616.db2.gz CCQAPOSBWSAGLC-QZWWFDLISA-N 3 0 293.455 1.219 10 0 CDAERP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[N@@H+]1CCOCC2(CCC2)C1 ZINC000903759487 626080871 /nfs/dbraw/zinc/08/08/71/626080871.db2.gz QIBJCCJKZGUVIL-HOCLYGCPSA-N 2 0 280.412 1.258 10 0 CDAERP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903784439 626093438 /nfs/dbraw/zinc/09/34/38/626093438.db2.gz OUTDMSSPJALQTQ-BBWFWOEESA-N 3 0 293.455 1.221 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCC(C)(C)C2)cnn1C ZINC000903891768 626124955 /nfs/dbraw/zinc/12/49/55/626124955.db2.gz CRLUJOCSUHPTAB-CYBMUJFWSA-N 2 0 264.417 1.578 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCC[C@@H](C)C2)cnn1C ZINC000903873645 626127874 /nfs/dbraw/zinc/12/78/74/626127874.db2.gz WCSGBHGBVJLXSR-TZMCWYRMSA-N 2 0 264.417 1.578 10 0 CDAERP CSCCC[N@H+](C)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903904434 626140169 /nfs/dbraw/zinc/14/01/69/626140169.db2.gz VHCZOFDCBONUSL-CYBMUJFWSA-N 2 0 284.473 1.531 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[NH2+]CCC2CC2)cnn1C ZINC000903923565 626148192 /nfs/dbraw/zinc/14/81/92/626148192.db2.gz XFHRCHPECQOYEQ-ZDUSSCGKSA-N 2 0 250.390 1.236 10 0 CDAERP O=C1[C@@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]2CCCCN12 ZINC000903930063 626151191 /nfs/dbraw/zinc/15/11/91/626151191.db2.gz RCFMVEHUHIJVPM-ZKXZWOTCSA-N 2 0 277.412 1.260 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@H+](C)C[C@@H]2CC2(C)C)cnn1C ZINC000903933014 626152978 /nfs/dbraw/zinc/15/29/78/626152978.db2.gz JSLRRGMXMBWGCY-HIFRSBDPSA-N 2 0 278.444 1.824 10 0 CDAERP FC1(F)CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCCSC1 ZINC000903957010 626157724 /nfs/dbraw/zinc/15/77/24/626157724.db2.gz OWIJLEZEJKGQEB-ZJUUUORDSA-N 2 0 250.358 1.716 10 0 CDAERP FC1(F)CC[NH2+]C[C@@H]1CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000903957700 626158293 /nfs/dbraw/zinc/15/82/93/626158293.db2.gz SQKXZQPARQLKBU-XJFOESAGSA-N 2 0 287.398 1.742 10 0 CDAERP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903959970 626159983 /nfs/dbraw/zinc/15/99/83/626159983.db2.gz UFFWGMQPXOGGBG-HMQMGEFJSA-N 3 0 277.456 1.983 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)cnn1C ZINC000903954104 626165878 /nfs/dbraw/zinc/16/58/78/626165878.db2.gz QDLCTIHYZUZKAB-AEGPPILISA-N 2 0 294.468 1.141 10 0 CDAERP COC1CCC([NH2+]C[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000903955728 626167039 /nfs/dbraw/zinc/16/70/39/626167039.db2.gz AULAVCTXIKNJOD-UNXYVOJBSA-N 2 0 262.344 1.778 10 0 CDAERP CC(C)[NH+]1CCC([NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903974192 626169306 /nfs/dbraw/zinc/16/93/06/626169306.db2.gz LKYGVXXQAZRETM-ZIAGYGMSSA-N 3 0 253.434 1.694 10 0 CDAERP [NH3+]CC(=O)N1CCC[C@H](C[NH2+]C2CCC=CCC2)C1 ZINC000903965031 626171882 /nfs/dbraw/zinc/17/18/82/626171882.db2.gz VOZLKSREEYFHKE-CYBMUJFWSA-N 2 0 265.401 1.272 10 0 CDAERP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903968206 626172722 /nfs/dbraw/zinc/17/27/22/626172722.db2.gz RQWUMQRGIHWSIT-UPJWGTAASA-N 2 0 293.386 1.988 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCC[C@@H](c2ccn(C)n2)C1 ZINC000903988153 626174674 /nfs/dbraw/zinc/17/46/74/626174674.db2.gz OGFQGKMJGBUSQF-KGLIPLIRSA-N 2 0 264.417 1.973 10 0 CDAERP c1c2ccccc2sc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000904398766 626288370 /nfs/dbraw/zinc/28/83/70/626288370.db2.gz SMTMTDADOQAKPF-UHFFFAOYSA-N 2 0 275.421 1.896 10 0 CDAERP [NH3+][C@H](Cc1nc(CC2CC[NH2+]CC2)no1)c1ccccc1 ZINC000905317671 626746334 /nfs/dbraw/zinc/74/63/34/626746334.db2.gz KPUFSNZKXIFWOK-CQSZACIVSA-N 2 0 286.379 1.854 10 0 CDAERP CCN(CCC[NH+](CC)CC)C(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000907663644 627772365 /nfs/dbraw/zinc/77/23/65/627772365.db2.gz KKDIIWVPAFLYOT-ZBFHGGJFSA-N 2 0 299.459 1.022 10 0 CDAERP O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000911582114 629339182 /nfs/dbraw/zinc/33/91/82/629339182.db2.gz LSCQOAIFCFYFHL-CAOSSQGBSA-N 2 0 291.439 1.746 10 0 CDAERP C[C@@H](C(=O)N[C@]1(C)C[NH+]2CCC1CC2)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000912379613 629952665 /nfs/dbraw/zinc/95/26/65/629952665.db2.gz OGCKXZXJRDOWRM-QDEZUTFSSA-N 2 0 293.455 1.848 10 0 CDAERP CC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)C[C@H](C)[NH2+]1 ZINC000912731501 630183892 /nfs/dbraw/zinc/18/38/92/630183892.db2.gz XZNRAIIOAUPLBU-XQQFMLRXSA-N 2 0 267.417 1.458 10 0 CDAERP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC([NH+]2CCC2)CC1 ZINC000912875449 630260065 /nfs/dbraw/zinc/26/00/65/630260065.db2.gz GEGSKIXGQMTGQV-ZDUSSCGKSA-N 2 0 281.444 1.850 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912917111 630285194 /nfs/dbraw/zinc/28/51/94/630285194.db2.gz VHQWUONFFRGTFS-MCIONIFRSA-N 2 0 265.401 1.166 10 0 CDAERP C[N@H+](CC(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1)CC(C)(C)C ZINC000913274932 630427720 /nfs/dbraw/zinc/42/77/20/630427720.db2.gz QYNOVPCKICIOIZ-IAGOWNOFSA-N 2 0 295.471 1.765 10 0 CDAERP C[NH+](C)CCCCC(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000913287778 630436007 /nfs/dbraw/zinc/43/60/07/630436007.db2.gz ISSCNDZIWJPZFX-HZPDHXFCSA-N 2 0 281.444 1.519 10 0 CDAERP CCOCC[NH+]1CCN(Cc2[nH]c(C)nc2C)CC1 ZINC000929543816 630674794 /nfs/dbraw/zinc/67/47/94/630674794.db2.gz FCDSNHKEROSASP-UHFFFAOYSA-N 2 0 266.389 1.181 10 0 CDAERP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)CCC1(O)CCC1 ZINC000929723589 630712655 /nfs/dbraw/zinc/71/26/55/630712655.db2.gz UWQYUEFUPOCKDL-HOTGVXAUSA-N 2 0 298.471 1.849 10 0 CDAERP C[NH+](C)[C@@H](CC(=O)NC12CC[NH+](CC1)C2)c1ccccc1 ZINC000913633445 630725488 /nfs/dbraw/zinc/72/54/88/630725488.db2.gz FDAJVPKZZMGPKK-HNNXBMFYSA-N 2 0 287.407 1.644 10 0 CDAERP C[NH+](C)CCNC(=S)N1CCC(C[NH+]2CCCC2)CC1 ZINC000916019735 631888433 /nfs/dbraw/zinc/88/84/33/631888433.db2.gz WIERANUPQSEAGV-UHFFFAOYSA-N 2 0 298.500 1.230 10 0 CDAERP CC1(C)[C@@H]([NH2+]C[C@@H]2CCCCO2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925480892 632805709 /nfs/dbraw/zinc/80/57/09/632805709.db2.gz LQARMKOWSACBCL-CRWXNKLISA-N 2 0 252.402 1.922 10 0 CDAERP CCc1[nH]nc(Cl)c1C[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000921691089 633187249 /nfs/dbraw/zinc/18/72/49/633187249.db2.gz ZXZLCZJRJLCYMZ-LLVKDONJSA-N 2 0 299.850 1.351 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCOC)[C@H](CC)C1 ZINC001670595933 1158655059 /nfs/dbraw/zinc/65/50/59/1158655059.db2.gz QNRBGRUFXLOSID-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP CCCCCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001691171562 1158944406 /nfs/dbraw/zinc/94/44/06/1158944406.db2.gz WMBSGJCENWQNMG-HOTGVXAUSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)OCCC[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001691365077 1159038070 /nfs/dbraw/zinc/03/80/70/1159038070.db2.gz NPDCNDCZVRZWHT-OAHLLOKOSA-N 2 0 299.459 1.334 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001482598815 1160537128 /nfs/dbraw/zinc/53/71/28/1160537128.db2.gz LXOIUSXRECYAQJ-ZBFHGGJFSA-N 2 0 295.471 1.765 10 0 CDAERP CN(CC[NH2+]CCC1CC1)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001691555796 1160699312 /nfs/dbraw/zinc/69/93/12/1160699312.db2.gz KIWKCPGIPJFUJS-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP Cn1c2ccccc2nc1CC[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872153848 1165388914 /nfs/dbraw/zinc/38/89/14/1165388914.db2.gz JXMLRBWKCLNRDO-SUMWQHHRSA-N 2 0 284.407 1.657 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC2([NH+](C)C)CC2)C1 ZINC001639435563 1166938407 /nfs/dbraw/zinc/93/84/07/1166938407.db2.gz GTCRVCZKLHYURE-QWHCGFSZSA-N 2 0 267.417 1.317 10 0 CDAERP CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)C(C)C ZINC001565835880 1168053889 /nfs/dbraw/zinc/05/38/89/1168053889.db2.gz WNTJRMXSJRQDBL-AWEZNQCLSA-N 2 0 269.433 1.659 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC1CCCC1 ZINC001567004229 1168499832 /nfs/dbraw/zinc/49/98/32/1168499832.db2.gz HUBZOIODCBKDLV-OCCSQVGLSA-N 2 0 267.417 1.365 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NCCCCc2cc[nH+]c(N)c2)C1 ZINC001648331968 1169121348 /nfs/dbraw/zinc/12/13/48/1169121348.db2.gz ZSZSGWJTFHWFJN-CQSZACIVSA-N 2 0 290.411 1.445 10 0 CDAERP COCCC[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001568139362 1169146691 /nfs/dbraw/zinc/14/66/91/1169146691.db2.gz UUQNNFIRYPPBPE-OAHLLOKOSA-N 2 0 297.443 1.088 10 0 CDAERP COCCCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001671242906 1169241899 /nfs/dbraw/zinc/24/18/99/1169241899.db2.gz AAAUGXUSPYHHSL-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC001649857044 1169438637 /nfs/dbraw/zinc/43/86/37/1169438637.db2.gz CQIDSWIMWGTMBK-RRFJBIMHSA-N 2 0 281.444 1.694 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)N2CCCC3(CC[NH2+]CC3)C2)C[NH2+]1 ZINC001649926297 1169503690 /nfs/dbraw/zinc/50/36/90/1169503690.db2.gz NMHJECFOIRSAKB-ZIAGYGMSSA-N 2 0 294.443 1.302 10 0 CDAERP CC(C)[NH2+]C/C=C/CNC(=O)CCC[NH+]1CCCCC1 ZINC001568966550 1169566394 /nfs/dbraw/zinc/56/63/94/1169566394.db2.gz XYGRISXAGLIPMQ-SNAWJCMRSA-N 2 0 281.444 1.923 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001569411542 1169864834 /nfs/dbraw/zinc/86/48/34/1169864834.db2.gz AHBSRPFHHQGIFT-UHFFFAOYSA-N 2 0 281.444 1.899 10 0 CDAERP CCC[NH2+]C[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001570091891 1170076522 /nfs/dbraw/zinc/07/65/22/1170076522.db2.gz PKDPDWXUXBQNDK-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP [NH3+][C@@H]1CCCC[C@@H]1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC001650338475 1170960771 /nfs/dbraw/zinc/96/07/71/1170960771.db2.gz JQFSERHEUYFVBP-UONOGXRCSA-N 2 0 285.351 1.723 10 0 CDAERP CC(C)CCC[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001662720928 1172584805 /nfs/dbraw/zinc/58/48/05/1172584805.db2.gz AFRYUKJNLGOSSB-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP CC[N@@H+]1CC[C@@H]1C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC001586547882 1172950077 /nfs/dbraw/zinc/95/00/77/1172950077.db2.gz WJAITWBBRHPEHW-ZIAGYGMSSA-N 2 0 265.401 1.025 10 0 CDAERP CCC[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001666933903 1173209509 /nfs/dbraw/zinc/20/95/09/1173209509.db2.gz YNYOOHSXEBQZMF-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@@H](C[NH2+]CC1CC(C)C1)N(C)C(=O)CC[NH+](C)C ZINC001666983317 1173216708 /nfs/dbraw/zinc/21/67/08/1173216708.db2.gz YWIJYCYUMFEDAW-MOKVOYLWSA-N 2 0 269.433 1.421 10 0 CDAERP C[C@H](NC(=O)NCc1cccnc1N)C1=CC[N@H+](C)CC1 ZINC001686075986 1174697093 /nfs/dbraw/zinc/69/70/93/1174697093.db2.gz YYOSSBPRTBGFOY-NSHDSACASA-N 2 0 289.383 1.113 10 0 CDAERP CC(C)[NH2+]CCCCCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001691943623 1175654036 /nfs/dbraw/zinc/65/40/36/1175654036.db2.gz SIABUWWTZFXVBW-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CCCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001698733921 1175908237 /nfs/dbraw/zinc/90/82/37/1175908237.db2.gz BFKXUAACZUJGEC-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP CCCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001698947887 1175993007 /nfs/dbraw/zinc/99/30/07/1175993007.db2.gz BJSFXKNDBCAEDZ-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H](CC[NH2+]C/C(Cl)=C/Cl)NC(=O)CC[NH+](C)C ZINC001699130306 1176107236 /nfs/dbraw/zinc/10/72/36/1176107236.db2.gz AZPLJVKULTXIIC-DFYQSJSGSA-N 2 0 296.242 1.742 10 0 CDAERP CCN(CC[NH2+]CC[C@H](C)F)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001699181648 1176130413 /nfs/dbraw/zinc/13/04/13/1176130413.db2.gz LHYFJXNNMWFCAO-ZFWWWQNUSA-N 2 0 299.434 1.514 10 0 CDAERP C[C@@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001699403922 1176369596 /nfs/dbraw/zinc/36/95/96/1176369596.db2.gz SNPCDBIOMQLMNK-DZGCQCFKSA-N 2 0 295.471 1.859 10 0 CDAERP COCCC[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001699467677 1176429619 /nfs/dbraw/zinc/42/96/19/1176429619.db2.gz NIDYKAWUNWERCR-HNNXBMFYSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001699528501 1176464992 /nfs/dbraw/zinc/46/49/92/1176464992.db2.gz HSEJKKAQVAYVSY-OAHLLOKOSA-N 2 0 283.460 1.957 10 0 CDAERP CCCCC[NH+]1CC(N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001699715706 1176584219 /nfs/dbraw/zinc/58/42/19/1176584219.db2.gz ZQRMBQCIOSQMMU-MRXNPFEDSA-N 2 0 293.455 1.661 10 0 CDAERP CCOCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H](C)C1 ZINC001699742953 1176600433 /nfs/dbraw/zinc/60/04/33/1176600433.db2.gz KGSRNGNSBLAYCJ-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H](CC[NH2+]CCF)C2)C1 ZINC001700086131 1176742794 /nfs/dbraw/zinc/74/27/94/1176742794.db2.gz YSBVBKPDGKCISP-UONOGXRCSA-N 2 0 285.407 1.126 10 0 CDAERP CC[C@H](C(=O)N(C)CC(C)(C)C[NH2+]CCF)[NH+](C)C ZINC001700448144 1176934170 /nfs/dbraw/zinc/93/41/70/1176934170.db2.gz ZQUHLTKDIZCLIU-GFCCVEGCSA-N 2 0 275.412 1.370 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CCCOC ZINC001700486913 1176974533 /nfs/dbraw/zinc/97/45/33/1176974533.db2.gz HHSOHHLVOADDGI-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)COCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001700820456 1177148991 /nfs/dbraw/zinc/14/89/91/1177148991.db2.gz CJZNWTBECJCXQR-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)CC[C@@H]1CCCO1 ZINC001707400331 1178019857 /nfs/dbraw/zinc/01/98/57/1178019857.db2.gz ZDENZRMKOCNCPU-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)CCC[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001707400033 1178020264 /nfs/dbraw/zinc/02/02/64/1178020264.db2.gz VZBBQESKVIUHBS-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001713265677 1178459901 /nfs/dbraw/zinc/45/99/01/1178459901.db2.gz PNFLJYLNAYSILO-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP CCC[N@@H+](CC=C(C)C)CCNC(=O)C[NH+]1CCCC1 ZINC001713551829 1178640859 /nfs/dbraw/zinc/64/08/59/1178640859.db2.gz BBMNURTWOOWVNR-UHFFFAOYSA-N 2 0 281.444 1.877 10 0 CDAERP CC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)[NH2+]CC=C(C)C ZINC001714105459 1178974242 /nfs/dbraw/zinc/97/42/42/1178974242.db2.gz AGDKMRMDJXGYGE-KGLIPLIRSA-N 2 0 269.433 1.777 10 0 CDAERP O=C(CCC[NH+]1CCCC1)N1CCCC[C@@H]1C[NH2+]CCF ZINC001714142316 1178989209 /nfs/dbraw/zinc/98/92/09/1178989209.db2.gz REEDTVBKZFABIK-OAHLLOKOSA-N 2 0 299.434 1.803 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](C[NH2+]CCC3CC3)C2)C1 ZINC001714367951 1179107093 /nfs/dbraw/zinc/10/70/93/1179107093.db2.gz OQTRFFKZVHHDTD-GDBMZVCRSA-N 2 0 293.455 1.566 10 0 CDAERP O=C(NCC1([NH2+]CCCF)CCCC1)C12CC[NH+](CC1)C2 ZINC001714509057 1179177303 /nfs/dbraw/zinc/17/73/03/1179177303.db2.gz BIVAJLKYCXVILS-UHFFFAOYSA-N 2 0 297.418 1.460 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001714587781 1179245757 /nfs/dbraw/zinc/24/57/57/1179245757.db2.gz TYWGWVFPRAFSMT-UHFFFAOYSA-N 2 0 269.433 1.709 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)CC[NH2+]CCC(C)(C)C ZINC001714783724 1179397302 /nfs/dbraw/zinc/39/73/02/1179397302.db2.gz IHRUCUSFJGZQER-UHFFFAOYSA-N 2 0 271.449 1.812 10 0 CDAERP CC[NH2+][C@H](CC)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001715067846 1179538036 /nfs/dbraw/zinc/53/80/36/1179538036.db2.gz KDGRFPVUVQAGIY-GFCCVEGCSA-N 2 0 255.406 1.365 10 0 CDAERP CC[NH2+]CCN(CC)C(=O)c1ccc2c[nH+]cn2c1C ZINC001715745300 1179788107 /nfs/dbraw/zinc/78/81/07/1179788107.db2.gz KRISIEONRTZKAA-UHFFFAOYSA-N 2 0 274.368 1.714 10 0 CDAERP CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001716485062 1180246507 /nfs/dbraw/zinc/24/65/07/1180246507.db2.gz NIVKRFFASODFAS-KGLIPLIRSA-N 2 0 269.433 1.563 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N[C@]2(C)CC[NH+](CCCCCF)C2)C1 ZINC001716852948 1180441195 /nfs/dbraw/zinc/44/11/95/1180441195.db2.gz QNSOJWPHSYVDAC-GOEBONIOSA-N 2 0 299.434 1.659 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@H]([C@@H](C)[NH2+]CCCF)C1 ZINC001716973407 1180486385 /nfs/dbraw/zinc/48/63/85/1180486385.db2.gz MKOQFWXWEYSOOZ-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP CCOCC[NH2+]C1(C)CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001717304680 1180611200 /nfs/dbraw/zinc/61/12/00/1180611200.db2.gz ONRAKLZNJDWCDS-UHFFFAOYSA-N 2 0 299.459 1.334 10 0 CDAERP CCCCC[NH2+]CC1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001717393983 1180646332 /nfs/dbraw/zinc/64/63/32/1180646332.db2.gz SRGVZXYDDBJAKB-UHFFFAOYSA-N 2 0 293.455 1.757 10 0 CDAERP CCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001717471726 1180693349 /nfs/dbraw/zinc/69/33/49/1180693349.db2.gz DSISNWVMTDMAPH-KGLIPLIRSA-N 2 0 269.433 1.706 10 0 CDAERP CCC[NH2+]CCC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001717691676 1180791610 /nfs/dbraw/zinc/79/16/10/1180791610.db2.gz HBCLXTVGPNPNRA-ZDUSSCGKSA-N 2 0 267.417 1.367 10 0 CDAERP CCC[NH2+]CCCN(C)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001723184790 1181524414 /nfs/dbraw/zinc/52/44/14/1181524414.db2.gz SPDDULWZHCKPSN-HNNXBMFYSA-N 2 0 267.417 1.320 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]C[C@H](C)OC ZINC001723204492 1181525509 /nfs/dbraw/zinc/52/55/09/1181525509.db2.gz RKDNNAVPKYEFOZ-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@H](C[NH2+]CCF)C2CC2)CC[N@@H+]1C ZINC001723323125 1181537395 /nfs/dbraw/zinc/53/73/95/1181537395.db2.gz IHEOTKAYBCUDBF-FPMFFAJLSA-N 2 0 285.407 1.171 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1CC)C1CC1 ZINC001723356802 1181543510 /nfs/dbraw/zinc/54/35/10/1181543510.db2.gz TWXMVHSVXUOPMS-KBPBESRZSA-N 2 0 267.417 1.365 10 0 CDAERP CCCC[N@@H+]1CC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001723484443 1181576208 /nfs/dbraw/zinc/57/62/08/1181576208.db2.gz ODOYJDJCSXWYTN-ZDUSSCGKSA-N 2 0 255.406 1.317 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1([NH2+]CCCF)CC1 ZINC001723523941 1181582694 /nfs/dbraw/zinc/58/26/94/1181582694.db2.gz OHKGVPSYDWJVOD-CYBMUJFWSA-N 2 0 285.407 1.459 10 0 CDAERP COCC[NH2+]CC(C)(C)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001725147311 1181882488 /nfs/dbraw/zinc/88/24/88/1181882488.db2.gz ULTQZZBBYSDFAP-AWEZNQCLSA-N 2 0 299.459 1.049 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC ZINC001725494984 1182023845 /nfs/dbraw/zinc/02/38/45/1182023845.db2.gz ZOFGECRKSRBLDG-STQMWFEESA-N 2 0 255.406 1.317 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)CCC1CC1 ZINC001731321745 1182316973 /nfs/dbraw/zinc/31/69/73/1182316973.db2.gz JFPDJKURXLUBSG-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001731681563 1182515989 /nfs/dbraw/zinc/51/59/89/1182515989.db2.gz QQZNNDRORHWEEZ-HUUCEWRRSA-N 2 0 279.428 1.342 10 0 CDAERP CC[C@H](F)C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001731911913 1182675405 /nfs/dbraw/zinc/67/54/05/1182675405.db2.gz ZKINAFPNTARASP-FRRDWIJNSA-N 2 0 273.396 1.123 10 0 CDAERP CN(CC[NH2+]Cc1ccccn1)C(=O)C[N@H+](C)C1CCC1 ZINC001731918919 1182678296 /nfs/dbraw/zinc/67/82/96/1182678296.db2.gz FQSULNFNEDCSNJ-UHFFFAOYSA-N 2 0 290.411 1.114 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+]C[C@@H]1CCO[C@@H](C)C1 ZINC001731987232 1182716400 /nfs/dbraw/zinc/71/64/00/1182716400.db2.gz BWMTXYNZLQPPSO-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC(C[NH+](C)CC)CC1 ZINC001732087068 1182754223 /nfs/dbraw/zinc/75/42/23/1182754223.db2.gz UXTKDSHKZFVCCU-UHFFFAOYSA-N 2 0 269.433 1.519 10 0 CDAERP CC[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](CC)C1)[NH+](CC)CC ZINC001732172126 1182828123 /nfs/dbraw/zinc/82/81/23/1182828123.db2.gz IAABEUVCSDNDPE-KGLIPLIRSA-N 2 0 269.433 1.659 10 0 CDAERP CCN(CC[NH2+]Cc1ccns1)C(=O)C[N@H+](C)C(C)C ZINC001732811446 1183133129 /nfs/dbraw/zinc/13/31/29/1183133129.db2.gz CYUVMKVXWXMMSS-UHFFFAOYSA-N 2 0 298.456 1.421 10 0 CDAERP CC[C@H](C)C[NH2+]C/C=C\CNC(=O)C12CCC[NH+]1CCC2 ZINC001732873576 1183166137 /nfs/dbraw/zinc/16/61/37/1183166137.db2.gz LWOLMBFOUGRMFE-XVWMLYKFSA-N 2 0 293.455 1.923 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+]C/C=C\Cl ZINC001732979192 1183216623 /nfs/dbraw/zinc/21/66/23/1183216623.db2.gz RIXZCFVKJYOGLM-ISALQUGTSA-N 2 0 261.797 1.175 10 0 CDAERP CCCCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001733069877 1183276188 /nfs/dbraw/zinc/27/61/88/1183276188.db2.gz ZNGLCRRIPPOIQR-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001733191157 1183324582 /nfs/dbraw/zinc/32/45/82/1183324582.db2.gz ULUQPIFCOOMKAY-KGLIPLIRSA-N 2 0 267.417 1.079 10 0 CDAERP CC(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001733191161 1183324948 /nfs/dbraw/zinc/32/49/48/1183324948.db2.gz ULUQPIFCOOMKAY-ZIAGYGMSSA-N 2 0 267.417 1.079 10 0 CDAERP CCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001733676145 1183495982 /nfs/dbraw/zinc/49/59/82/1183495982.db2.gz GYRPWZIFAQYKIN-UONOGXRCSA-N 2 0 267.417 1.176 10 0 CDAERP CCC[NH2+]CC[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001733679332 1183496037 /nfs/dbraw/zinc/49/60/37/1183496037.db2.gz YUMXYSITDXKBSP-CQSZACIVSA-N 2 0 267.417 1.320 10 0 CDAERP CCOCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001734155738 1183678037 /nfs/dbraw/zinc/67/80/37/1183678037.db2.gz SEDAFPIVBZCZND-CQSZACIVSA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@H](C)C[N@H+]1CC=C(CNC(=O)CC[NH+](C)C)CC1 ZINC001734631908 1183853144 /nfs/dbraw/zinc/85/31/44/1183853144.db2.gz VSJZJIODPAVHAX-AWEZNQCLSA-N 2 0 281.444 1.733 10 0 CDAERP C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CCCCCCC[NH3+] ZINC000842471573 697649360 /nfs/dbraw/zinc/64/93/60/697649360.db2.gz JZWVVPSCLANEBB-OLZOCXBDSA-N 2 0 255.406 1.481 10 0 CDAERP CC(C)[C@H]1CN(C(=O)N[C@H]2CC[NH+](C)[C@@H]2C)CC[N@@H+]1C ZINC000925358209 697687503 /nfs/dbraw/zinc/68/75/03/697687503.db2.gz ZBTMQRSAJCIQAC-HZSPNIEDSA-N 2 0 282.432 1.061 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)CCC23CC(C2)C[NH2+]3)C1 ZINC000870875181 697721706 /nfs/dbraw/zinc/72/17/06/697721706.db2.gz AZTPUBIMJZDXCK-VQCLRJIVSA-N 2 0 279.428 1.365 10 0 CDAERP CC1(C)CCc2onc(CN3CC[NH2+]CC[NH2+]CC3)c2C1 ZINC000923461299 697805317 /nfs/dbraw/zinc/80/53/17/697805317.db2.gz VQLVMMGCRXUODO-UHFFFAOYSA-N 2 0 292.427 1.184 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC2([NH+](C)C)CC2)[C@@H](C)C1 ZINC000923004978 697811315 /nfs/dbraw/zinc/81/13/15/697811315.db2.gz HYEFGDLHAWHSSW-UONOGXRCSA-N 2 0 296.459 1.452 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870972596 697817945 /nfs/dbraw/zinc/81/79/45/697817945.db2.gz MVVNZEOYKYTDBQ-JHJVBQTASA-N 2 0 253.390 1.104 10 0 CDAERP CC(C)[NH2+]CCC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000720885925 697819998 /nfs/dbraw/zinc/81/99/98/697819998.db2.gz FUYMOHKKFUARTO-STQMWFEESA-N 2 0 253.390 1.070 10 0 CDAERP Cc1cccc(C[N@H+](C)C[C@@H]2CC3(C[NH2+]C3)CO2)c1 ZINC000923303532 697835967 /nfs/dbraw/zinc/83/59/67/697835967.db2.gz FQBDYBRGADFJAA-HNNXBMFYSA-N 2 0 260.381 1.805 10 0 CDAERP OCCC1(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925645233 697861438 /nfs/dbraw/zinc/86/14/38/697861438.db2.gz PBGZWZCDBKAQOA-CABCVRRESA-N 2 0 266.429 1.907 10 0 CDAERP CC[C@@H](C[C@@](C)(O)CC)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000924657072 697886527 /nfs/dbraw/zinc/88/65/27/697886527.db2.gz FJPXEQSWKSHDDX-IRXDYDNUSA-N 2 0 299.503 1.933 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@H]2CCCc3ccc(O)cc32)CC1 ZINC000925813238 697894360 /nfs/dbraw/zinc/89/43/60/697894360.db2.gz TZQIWURDTPOBRR-KRWDZBQOSA-N 2 0 289.423 1.782 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)C1CCC([NH3+])CC1)[C@@H](C)[NH3+] ZINC000818528718 697946326 /nfs/dbraw/zinc/94/63/26/697946326.db2.gz HTXOJNPVPKSGQA-IKWCTNDRSA-N 2 0 255.406 1.334 10 0 CDAERP COC/C(C)=C/C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000930575761 698000800 /nfs/dbraw/zinc/00/08/00/698000800.db2.gz DMPFPYHNBTULNQ-ZXZGFYSFSA-N 2 0 252.402 1.997 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000926309969 698056599 /nfs/dbraw/zinc/05/65/99/698056599.db2.gz SROROCAUCGRKSX-FKEKPDDDSA-N 3 0 277.456 1.791 10 0 CDAERP CC(C)(C)[NH2+]CCC(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000705421071 698107122 /nfs/dbraw/zinc/10/71/22/698107122.db2.gz SYODFIYDLLYEGG-GFCCVEGCSA-N 2 0 253.390 1.071 10 0 CDAERP CC[C@H]1C[C@@H](C[N@H+](C)CCOCC[NH2+]C)CCO1 ZINC000863647572 698108792 /nfs/dbraw/zinc/10/87/92/698108792.db2.gz QJXQSDBURLMOLZ-KBPBESRZSA-N 2 0 258.406 1.359 10 0 CDAERP C[C@@H]1SCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)[C@H]1C ZINC000923315050 698118014 /nfs/dbraw/zinc/11/80/14/698118014.db2.gz CSRPQWOVPPOYIB-SRVKXCTJSA-N 2 0 256.415 1.191 10 0 CDAERP C[NH2+]C1CCN(C[C@H]2COc3ccccc3O2)CC1 ZINC000312019915 698119976 /nfs/dbraw/zinc/11/99/76/698119976.db2.gz KTDSTNSZNSITKT-ZDUSSCGKSA-N 2 0 262.353 1.510 10 0 CDAERP [NH3+][C@H]1CC[C@H](C(=O)N2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000870893222 698131394 /nfs/dbraw/zinc/13/13/94/698131394.db2.gz RUBDQACDHGJACL-WKILWMFISA-N 2 0 293.455 1.838 10 0 CDAERP OC1(C2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)CCOCC1 ZINC000925826959 698245864 /nfs/dbraw/zinc/24/58/64/698245864.db2.gz QVHSMWTXLPFUEF-PBWFPOADSA-N 2 0 280.412 1.181 10 0 CDAERP O[C@H](COc1ccccc1)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000923414230 698301213 /nfs/dbraw/zinc/30/12/13/698301213.db2.gz KOSAYOKTDBEJOQ-ZOBUZTSGSA-N 2 0 290.407 1.500 10 0 CDAERP CN(C(=O)C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1)C1CC1 ZINC000866705746 698303106 /nfs/dbraw/zinc/30/31/06/698303106.db2.gz IHYFHNUXBYIZJY-HNNXBMFYSA-N 2 0 267.417 1.304 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+]([C@H]2CCN(C3CCC3)C2=O)C1 ZINC000866706733 698312382 /nfs/dbraw/zinc/31/23/82/698312382.db2.gz CMDNAMLJPFJDHA-YOEHRIQHSA-N 2 0 293.455 1.837 10 0 CDAERP CC[NH+](CC)[C@@H](CNC(=[NH2+])N1CCO[C@@H](C)C1)CC(C)C ZINC000848984105 698320431 /nfs/dbraw/zinc/32/04/31/698320431.db2.gz OLRQTLCOZSFWSB-LSDHHAIUSA-N 2 0 298.475 1.988 10 0 CDAERP CC(C)(C)CC[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872257874 698338964 /nfs/dbraw/zinc/33/89/64/698338964.db2.gz ZXOFWMZWLRVHCI-UPJWGTAASA-N 2 0 281.400 1.290 10 0 CDAERP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866707870 698370678 /nfs/dbraw/zinc/37/06/78/698370678.db2.gz PEQDKONUXJRRKG-BXUZGUMPSA-N 2 0 255.406 1.160 10 0 CDAERP C[NH+](C)CC1(O)CC[NH+](C[C@@H]2Cc3ccccc32)CC1 ZINC000710670749 698379080 /nfs/dbraw/zinc/37/90/80/698379080.db2.gz DAMZILINRIPDLE-HNNXBMFYSA-N 2 0 274.408 1.715 10 0 CDAERP C[NH+]1CCN(CCC[NH2+]C2CC3(C2)COC(C)(C)C3)CC1 ZINC000924578765 698430790 /nfs/dbraw/zinc/43/07/90/698430790.db2.gz QFGAMMQRWVLDQP-UHFFFAOYSA-N 2 0 295.471 1.561 10 0 CDAERP C[C@H](CNC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)[NH+](C)C1CC1 ZINC000868372481 698468880 /nfs/dbraw/zinc/46/88/80/698468880.db2.gz WGAPMGHENQKZIA-UMVBOHGHSA-N 2 0 294.443 1.205 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925554136 698475822 /nfs/dbraw/zinc/47/58/22/698475822.db2.gz YVKFJWNRFUGMLM-CSOUEMRRSA-N 2 0 277.456 1.835 10 0 CDAERP CN1CC[NH+](CCCC[NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)CC1 ZINC000924656991 698488342 /nfs/dbraw/zinc/48/83/42/698488342.db2.gz FCFYJKHRUNLDOA-BBWFWOEESA-N 2 0 277.456 1.958 10 0 CDAERP C1CC1N1CCC([NH2+][C@@H]2CCCN3CCSC[C@@H]23)CC1 ZINC000718434625 698553316 /nfs/dbraw/zinc/55/33/16/698553316.db2.gz LFLAWNQHBCAEBV-CVEARBPZSA-N 2 0 295.496 1.783 10 0 CDAERP c1cn(CC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)cn1 ZINC000925507931 698572077 /nfs/dbraw/zinc/57/20/77/698572077.db2.gz DAULAULIOVXADZ-HUUCEWRRSA-N 2 0 262.401 1.641 10 0 CDAERP COC(=O)c1cc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)ccc1C ZINC000923478831 698770941 /nfs/dbraw/zinc/77/09/41/698770941.db2.gz HXQLTHOKGTZTHY-CYBMUJFWSA-N 2 0 276.380 1.952 10 0 CDAERP C[C@@H]([NH2+]CCC[NH3+])[C@H]1CN(Cc2ccccc2)CCO1 ZINC000817938446 698820536 /nfs/dbraw/zinc/82/05/36/698820536.db2.gz KRLQETSJMYDXSQ-GDBMZVCRSA-N 2 0 277.412 1.214 10 0 CDAERP C[C@H](Cn1cccn1)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925582459 698824069 /nfs/dbraw/zinc/82/40/69/698824069.db2.gz FLNONUXYHVUGIV-AGIUHOORSA-N 2 0 250.390 1.767 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000851657918 698829619 /nfs/dbraw/zinc/82/96/19/698829619.db2.gz QMWOCLUCHQBHEN-MELADBBJSA-N 2 0 284.448 1.532 10 0 CDAERP C[C@H](Cc1cnccn1)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858115059 698844529 /nfs/dbraw/zinc/84/45/29/698844529.db2.gz BITOHUYRMOZJHF-CHWSQXEVSA-N 2 0 262.401 1.870 10 0 CDAERP CCC[N@@H+]1CC[C@H](N[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925707705 698860621 /nfs/dbraw/zinc/86/06/21/698860621.db2.gz QNWZOOPUNDQNAQ-RDBSUJKOSA-N 2 0 253.434 1.966 10 0 CDAERP CC[C@H](NC[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1CCC[NH2+]1 ZINC000925776134 698864147 /nfs/dbraw/zinc/86/41/47/698864147.db2.gz JFOCQFRQMZTWDI-SRVKXCTJSA-N 2 0 261.360 1.351 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCNc2ccccn2)C1 ZINC000925624416 698866581 /nfs/dbraw/zinc/86/65/81/698866581.db2.gz XCMYNYMWNSDCNA-STQMWFEESA-N 2 0 262.401 1.989 10 0 CDAERP CC[NH2+]CC1CC[NH+](CCc2ccc(C(N)=O)cc2)CC1 ZINC000866661494 698867773 /nfs/dbraw/zinc/86/77/73/698867773.db2.gz RERZVXKMYDVESS-UHFFFAOYSA-N 2 0 289.423 1.650 10 0 CDAERP CCNC(=O)C(C)(C)C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925607397 698872024 /nfs/dbraw/zinc/87/20/24/698872024.db2.gz PEVRNAFRMSBSKJ-HUUCEWRRSA-N 2 0 295.471 1.907 10 0 CDAERP Cc1ccc(NCC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)nc1 ZINC000925877809 698876518 /nfs/dbraw/zinc/87/65/18/698876518.db2.gz MEUGGXWZQCYYIB-QWHCGFSZSA-N 2 0 260.385 1.661 10 0 CDAERP CCC([NH3+])(CC)CNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870937878 698887081 /nfs/dbraw/zinc/88/70/81/698887081.db2.gz UPULHBWLTPQLDC-UHFFFAOYSA-N 2 0 253.390 1.152 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCOC[C@H]2C(C)C)CC1 ZINC000924662317 698896911 /nfs/dbraw/zinc/89/69/11/698896911.db2.gz QOFXHBRSWAEYQZ-DLBZAZTESA-N 2 0 297.487 1.665 10 0 CDAERP CC1(C)CO[C@H](CN2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)C1 ZINC000720857423 698932300 /nfs/dbraw/zinc/93/23/00/698932300.db2.gz NKEPYQPLPKNJOI-GARJFASQSA-N 2 0 280.334 1.871 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)CC1 ZINC000723666855 698971137 /nfs/dbraw/zinc/97/11/37/698971137.db2.gz SDEZWPSBLLDWAZ-RBSFLKMASA-N 2 0 282.428 1.238 10 0 CDAERP [NH3+][C@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccn2)C12CCC2 ZINC000925594372 698972089 /nfs/dbraw/zinc/97/20/89/698972089.db2.gz GOBNMPMIJCJBOQ-RYUDHWBXSA-N 2 0 274.368 1.270 10 0 CDAERP C[C@H]1C[N@H+](CCCOCC(F)(F)F)CC[C@H]1C[NH3+] ZINC000251863884 698974743 /nfs/dbraw/zinc/97/47/43/698974743.db2.gz SSVPISXOJGDCCH-QWRGUYRKSA-N 2 0 268.323 1.872 10 0 CDAERP C[C@H](C[NH2+]C[C@H](O)c1ccc(F)cn1)C[NH+]1CCCCC1 ZINC000818969086 698991500 /nfs/dbraw/zinc/99/15/00/698991500.db2.gz KURVYRDSCIOIFD-CJNGLKHVSA-N 2 0 295.402 1.966 10 0 CDAERP CC(C)[C@H](CNC(=[NH2+])N1CCO[C@@H](C)C1)[NH+]1CCCC1 ZINC000848984199 698993128 /nfs/dbraw/zinc/99/31/28/698993128.db2.gz YJJXQMGHRKCXQO-KBPBESRZSA-N 2 0 282.432 1.352 10 0 CDAERP CN(CCCCCC[NH3+])C(=O)C1CC[NH+](C)CC1 ZINC000710724376 704815647 /nfs/dbraw/zinc/81/56/47/704815647.db2.gz LAWARGVEZAEHPH-UHFFFAOYSA-N 2 0 255.406 1.306 10 0 CDAERP C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2)CC[C@H]1C[NH3+] ZINC000923494439 704824099 /nfs/dbraw/zinc/82/40/99/704824099.db2.gz XOYYXKGDRSJRHB-OSAQELSMSA-N 2 0 266.360 1.776 10 0 CDAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H]2C[C@@H]2C1)[NH+]1CC[C@H]2C[C@H]2C1 ZINC000931059498 704832512 /nfs/dbraw/zinc/83/25/12/704832512.db2.gz QZRGYBKRPJWQLL-LJIZCISZSA-N 2 0 291.439 1.175 10 0 CDAERP CC(C)CCOC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867590996 704839729 /nfs/dbraw/zinc/83/97/29/704839729.db2.gz WIIOLRGZXSKQQO-HUUCEWRRSA-N 2 0 299.459 1.840 10 0 CDAERP C[C@H](c1ncc(C(C)(C)C)o1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923462209 704870919 /nfs/dbraw/zinc/87/09/19/704870919.db2.gz DOTMUYNALDJLNE-GFCCVEGCSA-N 2 0 280.416 1.528 10 0 CDAERP [NH2+]=C(NCCc1cccs1)NCC[NH+]1CCCC1 ZINC000848982492 704889762 /nfs/dbraw/zinc/88/97/62/704889762.db2.gz LUNPWDNVEAMQQD-UHFFFAOYSA-N 2 0 266.414 1.500 10 0 CDAERP CCOCCC[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923449234 704940603 /nfs/dbraw/zinc/94/06/03/704940603.db2.gz LWIBLGJBIOOPKP-ZDUSSCGKSA-N 2 0 256.390 1.243 10 0 CDAERP Cc1nnc(CC[N@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)o1 ZINC000931764538 704963270 /nfs/dbraw/zinc/96/32/70/704963270.db2.gz QXENMXZESBYVIS-LBPRGKRZSA-N 2 0 287.367 1.526 10 0 CDAERP CCN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923491924 705027053 /nfs/dbraw/zinc/02/70/53/705027053.db2.gz VEOYLKJEGJOXQI-WDEREUQCSA-N 2 0 295.349 1.314 10 0 CDAERP F[C@@]1(c2nc(-c3ccn4c[nH+]cc4c3)no2)CC[NH2+]C1 ZINC000843226786 705035290 /nfs/dbraw/zinc/03/52/90/705035290.db2.gz JFFVENBYWLREMV-ZDUSSCGKSA-N 2 0 273.271 1.542 10 0 CDAERP c1cn(CCC[N@@H+]2CCOC[C@H]2CC2CCOCC2)cn1 ZINC000934639138 705041146 /nfs/dbraw/zinc/04/11/46/705041146.db2.gz ZSIONQQWWUDOLG-MRXNPFEDSA-N 2 0 293.411 1.791 10 0 CDAERP C[C@H](CN[C@H]1CC[NH2+]C12CCC2)C[NH+]1CCCC1 ZINC000925480832 705045687 /nfs/dbraw/zinc/04/56/87/705045687.db2.gz NVWYBSVVQHVPAH-KGLIPLIRSA-N 2 0 251.418 1.593 10 0 CDAERP [NH3+][C@H]1C[C@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)C12CCC2 ZINC000925702977 705056537 /nfs/dbraw/zinc/05/65/37/705056537.db2.gz BWMKGGMWGJKVSK-WHEZMVJHSA-N 2 0 289.467 2.000 10 0 CDAERP COCC[NH2+]C1CCN(C[C@H](O)CC(F)(F)F)CC1 ZINC000923386752 705089666 /nfs/dbraw/zinc/08/96/66/705089666.db2.gz FFLIHCNXEOGCCX-LLVKDONJSA-N 2 0 284.322 1.000 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3[C@H](CC[NH+]3C)C2)CC[N@@H+]1C ZINC000827233789 705151940 /nfs/dbraw/zinc/15/19/40/705151940.db2.gz SCKXHCFULOWSRP-LXTVHRRPSA-N 2 0 279.428 1.269 10 0 CDAERP C[C@H](CCNC(=[NH2+])N[C@@H]1C[C@H]1C)[NH+]1CCCCC1 ZINC000864462625 705197662 /nfs/dbraw/zinc/19/76/62/705197662.db2.gz NXYNDQJCPKHFKN-JHJVBQTASA-N 2 0 252.406 1.773 10 0 CDAERP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)C(C)(C)CO ZINC000926335611 705279778 /nfs/dbraw/zinc/27/97/78/705279778.db2.gz APAQBIGLMFGUEX-HSBZDZAISA-N 2 0 254.418 2.000 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C)C(C)(C)CC2)C1 ZINC001630837132 1166236195 /nfs/dbraw/zinc/23/61/95/1166236195.db2.gz ZEYQYUHSLNWQRA-ZDUSSCGKSA-N 2 0 267.417 1.271 10 0 CDAERP CC[C@H]1CCC[C@H]([NH2+]CCN2CCC([NH3+])CC2)C1 ZINC000925808956 848127383 /nfs/dbraw/zinc/12/73/83/848127383.db2.gz FLDLJSXBYWRKFJ-ZFWWWQNUSA-N 2 0 253.434 1.968 10 0 CDAERP C[N@@H+]1CC[C@@H]2CN(C[C@H](O)CCC3(O)CCC3)CC[C@@H]21 ZINC000931548748 848128322 /nfs/dbraw/zinc/12/83/22/848128322.db2.gz ZPFNFQNHQFRIEQ-KFWWJZLASA-N 2 0 282.428 1.069 10 0 CDAERP C[C@H]([NH2+]CC[C@@H]1OCCc2ccccc21)C1C[NH2+]C1 ZINC000925880759 848182463 /nfs/dbraw/zinc/18/24/63/848182463.db2.gz OFUXLRFFAKQBTM-LRDDRELGSA-N 2 0 260.381 1.888 10 0 CDAERP Cc1cc(N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc[nH+]1 ZINC000709843880 848220276 /nfs/dbraw/zinc/22/02/76/848220276.db2.gz CQPRXZVFTOOQRT-MWLCHTKSSA-N 2 0 259.275 1.963 10 0 CDAERP [NH3+][C@H]1CC[C@H](C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000870879439 848292642 /nfs/dbraw/zinc/29/26/42/848292642.db2.gz GMFCQQKFJYEYQG-HAQNSBGRSA-N 2 0 285.351 1.723 10 0 CDAERP CC1(C)C[C@@H]([NH2+]CC[C@@H]2CCCS2(=O)=O)C[C@@H]([NH3+])C1 ZINC000925762024 848308060 /nfs/dbraw/zinc/30/80/60/848308060.db2.gz GEZBZTQIVQVLDM-AGIUHOORSA-N 2 0 288.457 1.449 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC000820619861 848321524 /nfs/dbraw/zinc/32/15/24/848321524.db2.gz CIMFGZNBJDRMGI-FDYHWXHSSA-N 2 0 276.384 1.502 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)C1 ZINC000925324257 848328318 /nfs/dbraw/zinc/32/83/18/848328318.db2.gz BQMDYXYRXMLPDB-BFHYXJOUSA-N 2 0 282.432 1.205 10 0 CDAERP CC(C)[NH+]1CCC([NH2+]CC[C@H]2CC(=O)N(C)C2)CC1 ZINC000723589912 848398362 /nfs/dbraw/zinc/39/83/62/848398362.db2.gz OZNOJINTOYJUAL-ZDUSSCGKSA-N 2 0 267.417 1.317 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]CCOCC(F)(F)C(F)F)C12CCC2 ZINC000925651433 848444851 /nfs/dbraw/zinc/44/48/51/848444851.db2.gz CJDNDZBPNPTVKO-BDAKNGLRSA-N 2 0 284.297 1.763 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925791934 848453553 /nfs/dbraw/zinc/45/35/53/848453553.db2.gz DFGWXJNUZOJXRZ-MGPQQGTHSA-N 3 0 251.418 1.496 10 0 CDAERP Cc1noc(C)c1CCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000817900391 848532291 /nfs/dbraw/zinc/53/22/91/848532291.db2.gz SFHBROXFNISGAY-TZMCWYRMSA-N 2 0 251.374 1.941 10 0 CDAERP C[C@H]1C[NH+](CCCNC(=[NH2+])NCCC2CC2)C[C@H](C)O1 ZINC000864449863 848539753 /nfs/dbraw/zinc/53/97/53/848539753.db2.gz BNFMIIMLQPLFBR-STQMWFEESA-N 2 0 282.432 1.400 10 0 CDAERP COc1ccccc1[C@H](O)CN[C@H]1C[NH2+]CC[C@@H]1C ZINC000817893752 848567405 /nfs/dbraw/zinc/56/74/05/848567405.db2.gz VJVVEUCPZCTLMG-FPMFFAJLSA-N 2 0 264.369 1.316 10 0 CDAERP C[C@H]1C[C@H]1NC(=[NH2+])NCCCCNc1ccccn1 ZINC000864456562 848585021 /nfs/dbraw/zinc/58/50/21/848585021.db2.gz JDSGDIAISGUFMY-NWDGAFQWSA-N 2 0 261.373 1.796 10 0 CDAERP C[NH2+]CCCN(C)C(=O)C[C@@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000842509764 848603660 /nfs/dbraw/zinc/60/36/60/848603660.db2.gz LYYUXAIYRAPWFF-GFCCVEGCSA-N 2 0 298.818 1.501 10 0 CDAERP C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH2+]C(C)(C)C)C[C@H]2C1 ZINC000311729581 848606056 /nfs/dbraw/zinc/60/60/56/848606056.db2.gz YRSKXTOOLLMGAZ-CHWSQXEVSA-N 2 0 267.417 1.175 10 0 CDAERP Cc1nn(C)c(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1Cl ZINC000922222872 848610266 /nfs/dbraw/zinc/61/02/66/848610266.db2.gz DEQDMIAXJUQUNE-PHIMTYICSA-N 2 0 270.808 1.812 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870866239 848622869 /nfs/dbraw/zinc/62/28/69/848622869.db2.gz PALMVUYHSRUFKF-CXTNEJHOSA-N 2 0 265.401 1.104 10 0 CDAERP CC[C@H]([NH2+]C[C@H](O)CN(C)C1CC1)[C@@H]1CCCOC1 ZINC000723963082 848689230 /nfs/dbraw/zinc/68/92/30/848689230.db2.gz FXEMGZRGYHAHLL-SNPRPXQTSA-N 2 0 270.417 1.236 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)[C@@H]2CCC[C@@H]21 ZINC000925879953 848730140 /nfs/dbraw/zinc/73/01/40/848730140.db2.gz NAADFAWJRFVTMY-QTVXIADOSA-N 3 0 251.418 1.576 10 0 CDAERP C[NH+](C)C[C@@H]1CN(c2nccnc2Cl)C[C@H]1C[NH+](C)C ZINC000705937938 848830452 /nfs/dbraw/zinc/83/04/52/848830452.db2.gz PXOHUUUHFJUFJU-VXGBXAGGSA-N 2 0 297.834 1.306 10 0 CDAERP C[C@@H](CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C1CC1 ZINC000870023130 848832488 /nfs/dbraw/zinc/83/24/88/848832488.db2.gz MPZPFLSXNOYWDS-NUEKZKHPSA-N 2 0 295.471 1.620 10 0 CDAERP C[C@@H]1C[C@H]1NC(=[NH2+])NCC1CC[NH+](C2CC2)CC1 ZINC000864464755 848846040 /nfs/dbraw/zinc/84/60/40/848846040.db2.gz HAGHHYAUYFUBSD-ZWNOBZJWSA-N 2 0 250.390 1.383 10 0 CDAERP CC[NH+]1CCC(C[NH2+]Cc2cnc3n2CCOC3)CC1 ZINC000722824315 848855730 /nfs/dbraw/zinc/85/57/30/848855730.db2.gz NWSQGQRHJLIWRH-UHFFFAOYSA-N 2 0 278.400 1.235 10 0 CDAERP CC1(C)CC[C@H](C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)OC1 ZINC000713623708 848892930 /nfs/dbraw/zinc/89/29/30/848892930.db2.gz QZWJQYSMGNCRAE-BFHYXJOUSA-N 2 0 252.402 1.733 10 0 CDAERP O=C1OCCN1CCC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925480184 848937537 /nfs/dbraw/zinc/93/75/37/848937537.db2.gz UWWHPZUCLOKXNZ-LSDHHAIUSA-N 2 0 295.427 1.587 10 0 CDAERP CC(=O)NCC1CCC([NH2+]CCC[NH+](C)C)CC1 ZINC000865397823 848971396 /nfs/dbraw/zinc/97/13/96/848971396.db2.gz NRRMCRQRGZIVNP-UHFFFAOYSA-N 2 0 255.406 1.223 10 0 CDAERP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925798741 848974506 /nfs/dbraw/zinc/97/45/06/848974506.db2.gz RHJSNFRILPIYKE-RGCMKSIDSA-N 2 0 251.418 1.304 10 0 CDAERP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000872290366 849028979 /nfs/dbraw/zinc/02/89/79/849028979.db2.gz ZCTILAGGADLBCW-JONQDZQNSA-N 2 0 293.455 1.885 10 0 CDAERP FC(F)OCC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000878747635 849086440 /nfs/dbraw/zinc/08/64/40/849086440.db2.gz NCEVQKNSHYEIDT-UHFFFAOYSA-N 2 0 271.311 1.833 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)CCC23CC(C2)C[NH2+]3)C1 ZINC000870894831 849153940 /nfs/dbraw/zinc/15/39/40/849153940.db2.gz JVABAJVMGGFDDA-UQPPLGOBSA-N 2 0 293.455 1.709 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(C[NH3+])c1 ZINC000827077102 849162559 /nfs/dbraw/zinc/16/25/59/849162559.db2.gz YHVJMXMGIQTVTD-CYBMUJFWSA-N 2 0 275.396 1.750 10 0 CDAERP C[C@]1(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CCC(=O)N1 ZINC000925684304 849205784 /nfs/dbraw/zinc/20/57/84/849205784.db2.gz GUGFWTLBGOWIMS-JTNHKYCSSA-N 2 0 253.390 1.151 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](CCO)C1CCCC1 ZINC000725086361 849216926 /nfs/dbraw/zinc/21/69/26/849216926.db2.gz WQONPMXDTLHWPE-CABCVRRESA-N 2 0 272.433 1.218 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)CC[NH2+]CC2CC2)CC1 ZINC000870876956 849248143 /nfs/dbraw/zinc/24/81/43/849248143.db2.gz VOXXEOHCWGLDMA-UHFFFAOYSA-N 2 0 281.444 1.614 10 0 CDAERP C[N@H+](C[C@H]1CC[C@H](C(F)(F)F)O1)C1CC([NH3+])C1 ZINC000721458919 849265452 /nfs/dbraw/zinc/26/54/52/849265452.db2.gz MHNNWPSOMUQOBY-YDYPAMBWSA-N 2 0 252.280 1.518 10 0 CDAERP CC1(C)C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCS1 ZINC000923316262 849327272 /nfs/dbraw/zinc/32/72/72/849327272.db2.gz NOYASWVCQKXJTK-NSHDSACASA-N 2 0 256.415 1.192 10 0 CDAERP C[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)CC[C@H]1C[NH3+] ZINC000923492394 849332079 /nfs/dbraw/zinc/33/20/79/849332079.db2.gz OCGDLIRDZIBIJG-KBMXLJTQSA-N 2 0 262.397 1.507 10 0 CDAERP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)C1CC[NH+](C)CC1 ZINC000925799894 849410905 /nfs/dbraw/zinc/41/09/05/849410905.db2.gz PANBVGAHCSPKPY-VNHYZAJKSA-N 3 0 253.434 1.552 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ncccc1C ZINC000849036893 849426810 /nfs/dbraw/zinc/42/68/10/849426810.db2.gz CUHVYUZPJYDJSG-CQSZACIVSA-N 2 0 289.427 1.531 10 0 CDAERP [NH3+]Cc1ccc(-c2noc([C@@H]3C[NH2+]CCC3(F)F)n2)cc1 ZINC000647158837 849498854 /nfs/dbraw/zinc/49/88/54/849498854.db2.gz LPLZQSOFKQIURI-NSHDSACASA-N 2 0 294.305 1.908 10 0 CDAERP CC[C@@H]1CCN(C(=[NH2+])NC[C@@H](C)[N@H+](C)C2CC2)C1 ZINC000864456500 849516306 /nfs/dbraw/zinc/51/63/06/849516306.db2.gz HRQQLENCDSAKER-VXGBXAGGSA-N 2 0 252.406 1.725 10 0 CDAERP C[C@H]1[C@H]([NH2+]C2CCN(c3ccccn3)CC2)CCN1C ZINC000719598235 849519718 /nfs/dbraw/zinc/51/97/18/849519718.db2.gz HXVUEGYJPYBNSQ-DZGCQCFKSA-N 2 0 274.412 1.733 10 0 CDAERP COC(=O)NC1CC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923397317 849556026 /nfs/dbraw/zinc/55/60/26/849556026.db2.gz LMDYIZOKQFMLCJ-LQDVMPOASA-N 2 0 295.427 1.728 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000713048436 849559394 /nfs/dbraw/zinc/55/93/94/849559394.db2.gz CFTGHEZQLNAOMG-AWEZNQCLSA-N 2 0 281.444 1.550 10 0 CDAERP C[C@H]1C[C@H](C)C[NH+](CCN2CCc3[nH+]ccc(N)c3C2)C1 ZINC000931515266 849619693 /nfs/dbraw/zinc/61/96/93/849619693.db2.gz CLULKZIYPPDDFK-KBPBESRZSA-N 2 0 288.439 2.000 10 0 CDAERP CCOC(=O)CCCC[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872152546 849649463 /nfs/dbraw/zinc/64/94/63/849649463.db2.gz SZCIOMPCALYRIH-MNOVXSKESA-N 2 0 296.333 1.789 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CC2(N3CCOCC3)CC2)C1 ZINC000925653317 849656262 /nfs/dbraw/zinc/65/62/62/849656262.db2.gz XDYQOBXMGNQIFF-KBPBESRZSA-N 2 0 281.444 1.347 10 0 CDAERP C[C@H](CN[C@H]1CC[NH2+]C12CCCC2)C[NH+]1CCN(C)CC1 ZINC000925489007 849661089 /nfs/dbraw/zinc/66/10/89/849661089.db2.gz IFEFFRYBEQNCLJ-CVEARBPZSA-N 2 0 294.487 1.134 10 0 CDAERP CC1(C)CO[C@H](CC[NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000717347755 849758117 /nfs/dbraw/zinc/75/81/17/849758117.db2.gz OPUYTGROEWJYAG-ZIAGYGMSSA-N 2 0 270.417 1.238 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1COc2ccccc2O1 ZINC000925507239 849990411 /nfs/dbraw/zinc/99/04/11/849990411.db2.gz VGUPTZQEIWWFDK-VSQGTZNVSA-N 2 0 288.391 1.932 10 0 CDAERP CCC[NH+]1CCC(N[C@H]2CC[N@H+](CC(C)(C)O)C2)CC1 ZINC000866411802 849993178 /nfs/dbraw/zinc/99/31/78/849993178.db2.gz WKTCZHRCILWCGM-HNNXBMFYSA-N 2 0 283.460 1.296 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000870989565 850030057 /nfs/dbraw/zinc/03/00/57/850030057.db2.gz KWYCMABLUQFPGW-ZENOOKHLSA-N 2 0 281.444 1.727 10 0 CDAERP Cc1cc(C)n(CC[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)n1 ZINC000709848214 850046817 /nfs/dbraw/zinc/04/68/17/850046817.db2.gz GAXQQKZHOLQYFB-OAHLLOKOSA-N 2 0 262.401 1.575 10 0 CDAERP COC(=O)C1=CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000863543251 850098139 /nfs/dbraw/zinc/09/81/39/850098139.db2.gz XCRLDSZRHIGALS-ZQDZILKHSA-N 2 0 278.396 1.759 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1ccc2c[nH]nc2c1 ZINC000706650023 850127147 /nfs/dbraw/zinc/12/71/47/850127147.db2.gz NWVSLIJIBDMSHO-UHFFFAOYSA-N 2 0 262.357 1.231 10 0 CDAERP Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H](CC[NH3+])C2)c1 ZINC000125572931 850136983 /nfs/dbraw/zinc/13/69/83/850136983.db2.gz UVPFCGSIMWMUJG-CYBMUJFWSA-N 2 0 261.369 1.604 10 0 CDAERP CC1(C)CO[C@H](C[NH+]2CCC3(CC[NH2+]C3)CC2)C1 ZINC000872143768 850192615 /nfs/dbraw/zinc/19/26/15/850192615.db2.gz XIYXSWNFDJUZPI-ZDUSSCGKSA-N 2 0 252.402 1.877 10 0 CDAERP CCO[C@H](CN[C@@H]1CC[N@H+](CC)C[C@H]1C)C[NH+](C)C ZINC000926966865 850283231 /nfs/dbraw/zinc/28/32/31/850283231.db2.gz YLXKIVDIIGGKDH-RBSFLKMASA-N 2 0 271.449 1.273 10 0 CDAERP O=[S@](CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)CC(F)(F)F ZINC000850349748 850356923 /nfs/dbraw/zinc/35/69/23/850356923.db2.gz JMWCYRRAPMRKGZ-ZHYXMNDGSA-N 2 0 298.374 1.514 10 0 CDAERP COCC[C@H]1CCC[C@@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925810710 850364506 /nfs/dbraw/zinc/36/45/06/850364506.db2.gz FQTUVYXBOIGFQU-HIFRSBDPSA-N 2 0 269.433 1.204 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+][C@@H]2CC3CCC2CC3)CC1 ZINC000397559330 850408766 /nfs/dbraw/zinc/40/87/66/850408766.db2.gz SUTZDRLQRVIAEQ-JXQTWKCFSA-N 2 0 252.402 1.611 10 0 CDAERP CC(C)C[C@H]([NH3+])CNc1ccc(OCC[NH3+])cc1 ZINC000841053941 850416573 /nfs/dbraw/zinc/41/65/73/850416573.db2.gz CVFRDMAYTLOVSZ-LBPRGKRZSA-N 2 0 251.374 1.809 10 0 CDAERP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCOC23CCOCC3)C1 ZINC000926574044 850433240 /nfs/dbraw/zinc/43/32/40/850433240.db2.gz TZIWUHQEAPFQJM-HUUCEWRRSA-N 2 0 282.428 1.646 10 0 CDAERP COCC(C)(C)CC[NH2+][C@H](C)C[C@H]1COCCN1 ZINC000718725135 850490751 /nfs/dbraw/zinc/49/07/51/850490751.db2.gz DNWQFQCAUBNROW-OLZOCXBDSA-N 2 0 258.406 1.406 10 0 CDAERP Cc1ncc(C[N@H+](C)CCCNC(=O)C[NH+]2CCCC2)o1 ZINC001566516599 1168317504 /nfs/dbraw/zinc/31/75/04/1168317504.db2.gz QZKNKKPZIUBASS-UHFFFAOYSA-N 2 0 294.399 1.017 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001566844145 1168442341 /nfs/dbraw/zinc/44/23/41/1168442341.db2.gz ATQWNDCIWSVDGR-ZNMIVQPWSA-N 2 0 279.428 1.674 10 0 CDAERP Cc1cncc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)n1 ZINC001647284169 1168524198 /nfs/dbraw/zinc/52/41/98/1168524198.db2.gz QVIJIDPJNDTKJS-OWCLPIDISA-N 2 0 290.411 1.074 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CC[C@@H](C)F)C1 ZINC001567155892 1168600421 /nfs/dbraw/zinc/60/04/21/1168600421.db2.gz ZTBPMYSLJULGOZ-KGLIPLIRSA-N 2 0 287.423 1.513 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001266583349 895458381 /nfs/dbraw/zinc/45/83/81/895458381.db2.gz VAPOIKHTHQXDED-IHRRRGAJSA-N 2 0 265.401 1.284 10 0 CDAERP CC(C)[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001283145850 895995256 /nfs/dbraw/zinc/99/52/56/895995256.db2.gz ITIWPNPGPRSNKU-STQMWFEESA-N 2 0 255.406 1.364 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCCF ZINC001266975001 896474304 /nfs/dbraw/zinc/47/43/04/896474304.db2.gz JLFKOCRLAWLZJL-KGLIPLIRSA-N 2 0 287.423 1.703 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001267152946 896935862 /nfs/dbraw/zinc/93/58/62/896935862.db2.gz XPEHFINASVBJMJ-LSDHHAIUSA-N 2 0 281.444 1.779 10 0 CDAERP CC(C)=CC[NH2+]CCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001267473726 898096663 /nfs/dbraw/zinc/09/66/63/898096663.db2.gz NVEXZTGRLVXVHE-GJZGRUSLSA-N 2 0 281.444 1.873 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001481112974 898882863 /nfs/dbraw/zinc/88/28/63/898882863.db2.gz UWZALPGXMPHJKQ-KGLIPLIRSA-N 2 0 267.417 1.176 10 0 CDAERP CCOCC[N@@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001267615156 898942680 /nfs/dbraw/zinc/94/26/80/898942680.db2.gz IDLWVLUSRRBJHI-CQSZACIVSA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@H](C(=O)NC1(C[NH2+]CCCF)CCCC1)[NH+](C)C ZINC001267843444 899855816 /nfs/dbraw/zinc/85/58/16/899855816.db2.gz FXCBRTKVLVTDHT-CYBMUJFWSA-N 2 0 287.423 1.705 10 0 CDAERP CC(C)[NH2+]C[C@@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001268008551 900273154 /nfs/dbraw/zinc/27/31/54/900273154.db2.gz AIHUVFJGCLDLTM-CHWSQXEVSA-N 2 0 255.406 1.079 10 0 CDAERP CC(C)[N@H+](CCCNC(=O)C[NH+]1CC[C@@H](C)C1)CC1CC1 ZINC001481355077 900485625 /nfs/dbraw/zinc/48/56/25/900485625.db2.gz UCBMKOGCTONILN-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC001567737323 1168941526 /nfs/dbraw/zinc/94/15/26/1168941526.db2.gz YMMCZCTUKHOUEL-CQSZACIVSA-N 2 0 267.417 1.128 10 0 CDAERP C[NH+](C)CCC(=O)NC1C[NH+](CC2CCCCCC2)C1 ZINC001481580785 901338213 /nfs/dbraw/zinc/33/82/13/901338213.db2.gz CRMAELOKFVCFOQ-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP O=C1OCCN1CC[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000692920231 901525068 /nfs/dbraw/zinc/52/50/68/901525068.db2.gz BXVYJHGICULLDG-CQSZACIVSA-N 2 0 281.400 1.150 10 0 CDAERP CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001268208217 901571196 /nfs/dbraw/zinc/57/11/96/901571196.db2.gz JNNROJNOFMMGAZ-UONOGXRCSA-N 2 0 269.433 1.610 10 0 CDAERP CCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001481709869 901881982 /nfs/dbraw/zinc/88/19/82/901881982.db2.gz CEYIMNDLZLFQFE-CYBMUJFWSA-N 2 0 255.406 1.317 10 0 CDAERP Cc1ncoc1C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268346995 901906589 /nfs/dbraw/zinc/90/65/89/901906589.db2.gz APLZVBNEKWLFCT-WCQYABFASA-N 2 0 294.399 1.062 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]CCF ZINC001268426566 902041392 /nfs/dbraw/zinc/04/13/92/902041392.db2.gz PRDWQAPQMHJOCH-CHWSQXEVSA-N 2 0 273.396 1.315 10 0 CDAERP CC[C@H](C(=O)N(CC)[C@@H]1CC[N@H+](CCO)C1)[NH+](CC)CC ZINC001481774027 902114304 /nfs/dbraw/zinc/11/43/04/902114304.db2.gz HNIRVVCOFXDGHV-HUUCEWRRSA-N 2 0 299.459 1.022 10 0 CDAERP CCCCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001482084595 902622306 /nfs/dbraw/zinc/62/23/06/902622306.db2.gz JPKCPGPZSRLPOO-UONOGXRCSA-N 2 0 269.433 1.613 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482159367 902779165 /nfs/dbraw/zinc/77/91/65/902779165.db2.gz OIFPKJZTSLQTRN-GJZGRUSLSA-N 2 0 281.444 1.636 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+]Cc2ccccc2)C1 ZINC001268625366 902837046 /nfs/dbraw/zinc/83/70/46/902837046.db2.gz GYDCAJUVLAKTDM-JFDDCEBESA-N 2 0 287.407 1.400 10 0 CDAERP CCCCC[NH2+]C[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001268704437 902987931 /nfs/dbraw/zinc/98/79/31/902987931.db2.gz CSSUIKCBVLNAQJ-KBPBESRZSA-N 2 0 269.433 1.613 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001268711809 902996365 /nfs/dbraw/zinc/99/63/65/902996365.db2.gz WCCPCFSYLZNWSE-OLZOCXBDSA-N 2 0 267.417 1.223 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001362080347 903179926 /nfs/dbraw/zinc/17/99/26/903179926.db2.gz WHDLCSVGDLOXFC-SOUVJXGZSA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@H](C(=O)N(C)CCC[NH2+]Cc1cccnc1)[NH+](C)C ZINC001268915080 903241655 /nfs/dbraw/zinc/24/16/55/903241655.db2.gz IZFDKRAEJQWXMH-OAHLLOKOSA-N 2 0 292.427 1.360 10 0 CDAERP CCCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001269085492 903406559 /nfs/dbraw/zinc/40/65/59/903406559.db2.gz UKVVOHFTIIJFNN-GJZGRUSLSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)OCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001269199594 903537423 /nfs/dbraw/zinc/53/74/23/903537423.db2.gz LUIDMWPWTOYBSD-OAHLLOKOSA-N 2 0 299.459 1.332 10 0 CDAERP CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001269505519 903870624 /nfs/dbraw/zinc/87/06/24/903870624.db2.gz GXIXEYIRYDIWNV-STQMWFEESA-N 2 0 265.401 1.262 10 0 CDAERP CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001362618303 903890417 /nfs/dbraw/zinc/89/04/17/903890417.db2.gz SHGQJHZLQQMHJK-UKRRQHHQSA-N 2 0 281.444 1.659 10 0 CDAERP OC1(C[NH+]2CCCCC2)CC[NH+](CC[C@H]2CCCO2)CC1 ZINC001363310036 904417707 /nfs/dbraw/zinc/41/77/07/904417707.db2.gz FWUWUEVVYVKMBI-MRXNPFEDSA-N 2 0 296.455 1.868 10 0 CDAERP CCOCC[NH+]1CCC(C)(NC(=O)CCC[NH+](C)C)CC1 ZINC001270248614 904475044 /nfs/dbraw/zinc/47/50/44/904475044.db2.gz DOSYTPFGVQLUMN-UHFFFAOYSA-N 2 0 299.459 1.335 10 0 CDAERP C[C@@H](C[NH2+]CCCF)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001271059114 905599154 /nfs/dbraw/zinc/59/91/54/905599154.db2.gz HEMNFZCBPPJLMV-ZDUSSCGKSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCC1CC1 ZINC001482531896 906866051 /nfs/dbraw/zinc/86/60/51/906866051.db2.gz OXWKYFGUKSTNPX-FVQBIDKESA-N 2 0 295.471 1.857 10 0 CDAERP CC(C)C[NH2+][C@H](CNC(=O)CC[NH+](C)C)C(C)C ZINC001271891317 906942462 /nfs/dbraw/zinc/94/24/62/906942462.db2.gz DQONWCMQZKWSDB-CYBMUJFWSA-N 2 0 257.422 1.325 10 0 CDAERP CCC[NH2+][C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C(C)C ZINC001482565140 907146840 /nfs/dbraw/zinc/14/68/40/907146840.db2.gz JBMHJMIEUQXUPL-KGLIPLIRSA-N 2 0 269.433 1.469 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)CCN(C)Cc1cncs1 ZINC001482641929 908105124 /nfs/dbraw/zinc/10/51/24/908105124.db2.gz RSSVSCBSRRUCOB-UHFFFAOYSA-N 2 0 298.456 1.375 10 0 CDAERP C[C@H](C[NH2+]CC1CC1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001483141162 909793763 /nfs/dbraw/zinc/79/37/63/909793763.db2.gz NPVZLQNFBJUEAR-CYBMUJFWSA-N 2 0 279.428 1.367 10 0 CDAERP Cc1ncoc1C[NH2+][C@@H](C)CN(C)C(=O)CCC[NH+](C)C ZINC001507115910 910763328 /nfs/dbraw/zinc/76/33/28/910763328.db2.gz PCVSLESFEBQXAR-LBPRGKRZSA-N 2 0 296.415 1.261 10 0 CDAERP CC[N@H+](C)C[C@H](C)NC(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC001483339521 910935657 /nfs/dbraw/zinc/93/56/57/910935657.db2.gz IMNVOHKOHVJQFB-FZMZJTMJSA-N 2 0 293.415 1.246 10 0 CDAERP CC[NH2+]CC[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001568067003 1169131159 /nfs/dbraw/zinc/13/11/59/1169131159.db2.gz UQWXQCJMANWNST-CQSZACIVSA-N 2 0 281.444 1.566 10 0 CDAERP C[C@@H](C[N@H+](C)CC1CCCC1)NC(=O)C[NH+]1CCCC1 ZINC001483422243 911100423 /nfs/dbraw/zinc/10/04/23/911100423.db2.gz TYMSZAKKPYYBPH-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@H](C(=O)N(C)CCC[NH2+]Cc1cc(C)no1)[NH+](C)C ZINC001483474458 911166236 /nfs/dbraw/zinc/16/62/36/911166236.db2.gz QSNFBVDDWXADSU-CQSZACIVSA-N 2 0 296.415 1.261 10 0 CDAERP O=C(CC[NH+]1CCCCC1)NCC1([NH2+]CCCF)CC1 ZINC001483794966 915072171 /nfs/dbraw/zinc/07/21/71/915072171.db2.gz NQEFRNQNIXUTKI-UHFFFAOYSA-N 2 0 285.407 1.460 10 0 CDAERP C[C@]1(C[NH2+]CCF)CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001484101841 915433681 /nfs/dbraw/zinc/43/36/81/915433681.db2.gz NVKTXGMKRTTYLV-OAHLLOKOSA-N 2 0 297.418 1.413 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001484688763 916045826 /nfs/dbraw/zinc/04/58/26/916045826.db2.gz ZTYBVHNYSDKLAE-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)=CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001484735568 916120937 /nfs/dbraw/zinc/12/09/37/916120937.db2.gz AWRJOMCHKVMDAB-HNNXBMFYSA-N 2 0 281.444 1.827 10 0 CDAERP CC[C@H](F)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001484997061 916361007 /nfs/dbraw/zinc/36/10/07/916361007.db2.gz RCGHSRSMCQAMFS-RWMBFGLXSA-N 2 0 273.396 1.313 10 0 CDAERP C[N@H+](CCCF)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001485049592 916431802 /nfs/dbraw/zinc/43/18/02/916431802.db2.gz GIJVQKRMFMHKJJ-KGLIPLIRSA-N 2 0 285.407 1.363 10 0 CDAERP CC[NH2+][C@H](CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001485440019 916970687 /nfs/dbraw/zinc/97/06/87/916970687.db2.gz NDFVFMIASUKONF-LSDHHAIUSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@H](F)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001485613812 917137533 /nfs/dbraw/zinc/13/75/33/917137533.db2.gz BZGULEWQOFUFNZ-ZQDZILKHSA-N 2 0 299.434 1.370 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1C[C@]2(C)C[NH+](CC)C[C@]2(C)C1 ZINC001485671057 917160935 /nfs/dbraw/zinc/16/09/35/917160935.db2.gz XIUKKLNWYRACCA-CALCHBBNSA-N 2 0 295.471 1.909 10 0 CDAERP CC[C@H](C)C[NH2+][C@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001485920492 920579753 /nfs/dbraw/zinc/57/97/53/920579753.db2.gz UGUDWCQVQUMIGY-QWHCGFSZSA-N 2 0 257.422 1.421 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCCF)C1)[NH+](C)C ZINC001491073924 936852232 /nfs/dbraw/zinc/85/22/32/936852232.db2.gz YVHUDDJDXMHDOR-XQQFMLRXSA-N 2 0 273.396 1.169 10 0 CDAERP CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001649451773 1169260687 /nfs/dbraw/zinc/26/06/87/1169260687.db2.gz VJPGGKAAUCSYQT-KGLIPLIRSA-N 2 0 269.433 1.706 10 0 CDAERP C[C@@H](CC[NH2+]Cc1ccns1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001273176202 923797091 /nfs/dbraw/zinc/79/70/91/923797091.db2.gz PMOFDEIKWYFNQO-RYUDHWBXSA-N 2 0 296.440 1.079 10 0 CDAERP C[C@@H](CC[NH2+]Cc1cscn1)NC(=O)C[NH+]1CCCC1 ZINC001273182539 923887065 /nfs/dbraw/zinc/88/70/65/923887065.db2.gz AKIQWFCMXVOJQA-LBPRGKRZSA-N 2 0 296.440 1.223 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCOCC)[C@H](C)C1 ZINC001568368419 1169263494 /nfs/dbraw/zinc/26/34/94/1169263494.db2.gz FZHTWENYQWGADN-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCn2ccnc2C1 ZINC001491507002 936926506 /nfs/dbraw/zinc/92/65/06/936926506.db2.gz GHKOMLRUNDZSNB-KBPBESRZSA-N 2 0 290.411 1.506 10 0 CDAERP CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001568385253 1169269434 /nfs/dbraw/zinc/26/94/34/1169269434.db2.gz CFMFIOOOMFHLIQ-QLFBSQMISA-N 2 0 281.444 1.707 10 0 CDAERP CCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001410185995 925363100 /nfs/dbraw/zinc/36/31/00/925363100.db2.gz NZIPOXRNLODTEN-HRCADAONSA-N 2 0 295.471 1.955 10 0 CDAERP Cn1cc([C@H](O)C[NH2+][C@@H]2CCCN3CCCC[C@H]23)cn1 ZINC000825651788 925876334 /nfs/dbraw/zinc/87/63/34/925876334.db2.gz DYSPFSOOADXMJT-RBSFLKMASA-N 2 0 278.400 1.060 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001488832444 926729158 /nfs/dbraw/zinc/72/91/58/926729158.db2.gz XYHJLVLBCGHPKM-SHTZXODSSA-N 2 0 293.455 1.921 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001488878180 926748410 /nfs/dbraw/zinc/74/84/10/926748410.db2.gz GLAUHBAMXPVVBO-XUXIUFHCSA-N 2 0 285.407 1.171 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1C[C@@H](C)O ZINC001489141446 926809564 /nfs/dbraw/zinc/80/95/64/926809564.db2.gz PWWBDJYQJSMAPO-QLFBSQMISA-N 2 0 299.459 1.068 10 0 CDAERP COC[C@@H](C)[N@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001489338150 926875636 /nfs/dbraw/zinc/87/56/36/926875636.db2.gz IUTVFPGNUCSGQZ-CABCVRRESA-N 2 0 299.459 1.286 10 0 CDAERP C[N@H+](CCCF)CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001490221321 927033758 /nfs/dbraw/zinc/03/37/58/927033758.db2.gz AWWMAXGAZWXDHA-UHFFFAOYSA-N 2 0 285.407 1.413 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CCF ZINC001490216732 927068908 /nfs/dbraw/zinc/06/89/08/927068908.db2.gz VNNWIZIILGUVMG-AWEZNQCLSA-N 2 0 287.423 1.514 10 0 CDAERP CCC[NH2+][C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001490709664 927292519 /nfs/dbraw/zinc/29/25/19/927292519.db2.gz KASUOISPOPLTJW-JSGCOSHPSA-N 2 0 267.417 1.223 10 0 CDAERP COCC[NH+]1CCC([C@H](C)NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001411255423 927324834 /nfs/dbraw/zinc/32/48/34/927324834.db2.gz BIFDHVLRZRNGCE-AWEZNQCLSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@H]21 ZINC001568515288 1169341007 /nfs/dbraw/zinc/34/10/07/1169341007.db2.gz IYMMPMOCDAGESC-JKSUJKDBSA-N 2 0 293.455 1.827 10 0 CDAERP Cc1cc(C[NH2+]C/C=C\CNC(=O)CC[NH+](C)C)cs1 ZINC001274331176 931491148 /nfs/dbraw/zinc/49/11/48/931491148.db2.gz IWJQBMGEFWYHEV-PLNGDYQASA-N 2 0 295.452 1.770 10 0 CDAERP CC[C@@H](C(=O)NC/C=C\C[NH2+]CC(C)C)[NH+](C)C ZINC001274507697 931504721 /nfs/dbraw/zinc/50/47/21/931504721.db2.gz GPFHEHWJXNNLPQ-WSROAFLRSA-N 2 0 255.406 1.245 10 0 CDAERP CC[NH2+][C@@H](C)CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001274731836 931562005 /nfs/dbraw/zinc/56/20/05/931562005.db2.gz IXGOWEXVLOORQB-STQMWFEESA-N 2 0 255.406 1.365 10 0 CDAERP CC(C)CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001274760363 931570248 /nfs/dbraw/zinc/57/02/48/931570248.db2.gz MJLASDBIMKVFMX-ZBFHGGJFSA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]CCC1CC1)[NH+](C)C ZINC001274913377 931607339 /nfs/dbraw/zinc/60/73/39/931607339.db2.gz PCNIZEDAVIQFKP-TZMCWYRMSA-N 2 0 269.433 1.467 10 0 CDAERP CC[NH2+][C@H](C)[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001275434028 931789413 /nfs/dbraw/zinc/78/94/13/931789413.db2.gz QWTMPOOFEWXYJC-VXGBXAGGSA-N 2 0 253.390 1.118 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001275638837 931922059 /nfs/dbraw/zinc/92/20/59/931922059.db2.gz RHEGCADDXLIWIC-ZDUSSCGKSA-N 2 0 255.406 1.341 10 0 CDAERP CC(C)[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001275827649 932070268 /nfs/dbraw/zinc/07/02/68/932070268.db2.gz KILWLOUKBOBIAD-KBPBESRZSA-N 2 0 269.433 1.704 10 0 CDAERP Cc1ncoc1C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001275914723 932127753 /nfs/dbraw/zinc/12/77/53/932127753.db2.gz BIXGNWSNQGGOKH-ZDUSSCGKSA-N 2 0 294.399 1.015 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)NCC[C@@H]2CCC[NH+](C)C2)C1 ZINC001412216428 932328162 /nfs/dbraw/zinc/32/81/62/932328162.db2.gz LFOZHZQFYDFLMZ-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H]1CC[C@H]([NH2+]CCCCCN2CC[NH2+]CC2)C1 ZINC000925843296 932945281 /nfs/dbraw/zinc/94/52/81/932945281.db2.gz DRTUDUSHOOJEAO-CABCVRRESA-N 2 0 253.434 1.840 10 0 CDAERP COC(=O)/C(C)=C/C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000691899200 933176802 /nfs/dbraw/zinc/17/68/02/933176802.db2.gz QWFIIXVCGKYXKA-LNKIKWGQSA-N 2 0 280.412 1.914 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)C[NH2+]C(C)(C)C ZINC001118793591 937667326 /nfs/dbraw/zinc/66/73/26/937667326.db2.gz CTSRVLBFYWZASW-UHFFFAOYSA-N 2 0 257.422 1.611 10 0 CDAERP O[C@@H](C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)C1(O)CCCC1 ZINC000929690584 933259932 /nfs/dbraw/zinc/25/99/32/933259932.db2.gz USNLVOKCLKFDPC-HOTGVXAUSA-N 2 0 296.455 1.603 10 0 CDAERP c1n[nH]cc1CCN1CCC([NH2+]C2CCOCC2)CC1 ZINC001413062745 935746917 /nfs/dbraw/zinc/74/69/17/935746917.db2.gz SHNNMTSJWVCYQM-UHFFFAOYSA-N 2 0 278.400 1.185 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)C[C@@H]([NH3+])C(C)(C)C ZINC000136948219 938585351 /nfs/dbraw/zinc/58/53/51/938585351.db2.gz KXSJSFZELCJDGN-NWDGAFQWSA-N 2 0 255.406 1.303 10 0 CDAERP CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001276589677 940393224 /nfs/dbraw/zinc/39/32/24/940393224.db2.gz RVBFTJQPUHNRRV-MRVWCRGKSA-N 2 0 267.417 1.221 10 0 CDAERP C[C@@H]1CCC[N@H+](C[C@H](O)C(F)(F)F)[C@H]1CC[NH3+] ZINC000404275688 940961006 /nfs/dbraw/zinc/96/10/06/940961006.db2.gz AOACKAXVRFBJED-UTLUCORTSA-N 2 0 254.296 1.359 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccsc2)C12CCC2 ZINC000405388567 940985690 /nfs/dbraw/zinc/98/56/90/940985690.db2.gz FRPAGLSJQGMBRE-IJLUTSLNSA-N 2 0 252.383 1.641 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H]2C[NH+](C)C)C1 ZINC001362033062 970797529 /nfs/dbraw/zinc/79/75/29/970797529.db2.gz SLHAIJPMSPIOAR-GJZGRUSLSA-N 2 0 281.444 1.659 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]C/C=C/Cl)C1)[NH+](C)C ZINC001277074659 941915939 /nfs/dbraw/zinc/91/59/39/941915939.db2.gz LYJUJNDBEAAJJN-ZAGQHCIPSA-N 2 0 287.835 1.564 10 0 CDAERP CC(C)[NH2+]C1(CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001277189449 942150089 /nfs/dbraw/zinc/15/00/89/942150089.db2.gz MMZJAFGXFBVBPP-UHFFFAOYSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)=CC[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001277245536 942237444 /nfs/dbraw/zinc/23/74/44/942237444.db2.gz FYDOUCUZNVCPRR-UHFFFAOYSA-N 2 0 265.401 1.287 10 0 CDAERP CCCC[NH2+]CCN(CC)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001568791943 1169475965 /nfs/dbraw/zinc/47/59/65/1169475965.db2.gz ZSOSHEGZAWJKDP-CQSZACIVSA-N 2 0 269.433 1.566 10 0 CDAERP CC(C)=CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001283320605 942876976 /nfs/dbraw/zinc/87/69/76/942876976.db2.gz YUWASRIVTMENLF-MRXNPFEDSA-N 2 0 293.455 1.970 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]CCCF)C1 ZINC001284762744 943255484 /nfs/dbraw/zinc/25/54/84/943255484.db2.gz ZMXHWQLEWZOIRH-YMAMQOFZSA-N 2 0 299.434 1.798 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCCF)C1 ZINC001284762732 943256079 /nfs/dbraw/zinc/25/60/79/943256079.db2.gz ZMXHWQLEWZOIRH-NRXISQOPSA-N 2 0 299.434 1.798 10 0 CDAERP CC[N@H+](C)CCC(=O)NCC1=CC[NH+]([C@@H](C)COC)CC1 ZINC001284979509 943306480 /nfs/dbraw/zinc/30/64/80/943306480.db2.gz YRVKLOOMKITUHA-AWEZNQCLSA-N 2 0 297.443 1.111 10 0 CDAERP CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001277693179 943342133 /nfs/dbraw/zinc/34/21/33/943342133.db2.gz JFBGVQZMFKSFLN-TZMCWYRMSA-N 2 0 267.417 1.175 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001332321338 943797775 /nfs/dbraw/zinc/79/77/75/943797775.db2.gz IUENZAPXKVOWBD-ZIAGYGMSSA-N 2 0 269.433 1.613 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001263868242 944014443 /nfs/dbraw/zinc/01/44/43/944014443.db2.gz AGJCFBKMJNWWKZ-RBSFLKMASA-N 2 0 279.428 1.531 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@H](C(C)C)[NH+](C)C)C(C)C ZINC001265143282 944238085 /nfs/dbraw/zinc/23/80/85/944238085.db2.gz CYZHXAPATJZQTH-AWEZNQCLSA-N 2 0 271.449 1.809 10 0 CDAERP CO[C@@H](C)C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001265171527 944259851 /nfs/dbraw/zinc/25/98/51/944259851.db2.gz SBLHGMGEKRTPFI-DZGCQCFKSA-N 2 0 297.443 1.086 10 0 CDAERP CCC[NH+]1CCC2(C[C@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001265332587 944349033 /nfs/dbraw/zinc/34/90/33/944349033.db2.gz XDEVAILFKLXOAL-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CCC(C)C)C1 ZINC001265501153 944410612 /nfs/dbraw/zinc/41/06/12/944410612.db2.gz DOQCQSBVZZKMCS-HDJSIYSDSA-N 2 0 269.433 1.611 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001265551827 944426674 /nfs/dbraw/zinc/42/66/74/944426674.db2.gz NBTPKNRNQLSGMI-FRRDWIJNSA-N 2 0 253.390 1.118 10 0 CDAERP CCCC[NH2+]C[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001277982309 944488223 /nfs/dbraw/zinc/48/82/23/944488223.db2.gz TZXCZAIFVNAYGN-CQSZACIVSA-N 2 0 279.428 1.463 10 0 CDAERP CCC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001266126365 944697876 /nfs/dbraw/zinc/69/78/76/944697876.db2.gz VFWSHYZMGXJECT-AWEZNQCLSA-N 2 0 267.417 1.461 10 0 CDAERP CC(C)CCC[NH2+]C/C=C\CNC(=O)C12CC[NH+](CC1)C2 ZINC001568950238 1169560566 /nfs/dbraw/zinc/56/05/66/1169560566.db2.gz IDNGUQLCJNBMPH-ARJAWSKDSA-N 2 0 293.455 1.780 10 0 CDAERP CCCN(CCC[NH+](C)C)C(=O)[C@H](C)CC[NH+](C)C ZINC001362508048 971353328 /nfs/dbraw/zinc/35/33/28/971353328.db2.gz YFANGKBAIUQXFX-CQSZACIVSA-N 2 0 271.449 1.765 10 0 CDAERP C[C@H](O)CCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001479716431 971381841 /nfs/dbraw/zinc/38/18/41/971381841.db2.gz DTJLZHWOEHZNHI-ZNMIVQPWSA-N 2 0 299.459 1.068 10 0 CDAERP CCC[N@H+](CCCNC(=O)C[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001479878656 971467701 /nfs/dbraw/zinc/46/77/01/971467701.db2.gz GPWUVTJKDGPJDI-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP CCCN(CCC[NH+](C)C)C(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001362629648 971473072 /nfs/dbraw/zinc/47/30/72/971473072.db2.gz QPPWQKOCDZSSSX-CQSZACIVSA-N 2 0 287.423 1.611 10 0 CDAERP C[NH+](C)C1(C(=O)NC[C@H]([NH2+]CCCF)C2CC2)CCC1 ZINC001480024581 971542577 /nfs/dbraw/zinc/54/25/77/971542577.db2.gz UZVZROMOORCINM-ZDUSSCGKSA-N 2 0 285.407 1.315 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001480461928 971741798 /nfs/dbraw/zinc/74/17/98/971741798.db2.gz DLTPELVEGBARPM-BFHYXJOUSA-N 2 0 269.433 1.467 10 0 CDAERP CC(C)C[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001480526882 971768880 /nfs/dbraw/zinc/76/88/80/971768880.db2.gz SAJGEFXAUJCFEU-RDBSUJKOSA-N 2 0 269.433 1.467 10 0 CDAERP C[C@]1(C[NH2+]CCCF)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001324825783 953593690 /nfs/dbraw/zinc/59/36/90/953593690.db2.gz IVVASNTXOCYSAQ-OAHLLOKOSA-N 2 0 285.407 1.270 10 0 CDAERP CC/C=C\CC[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001316641273 953629732 /nfs/dbraw/zinc/62/97/32/953629732.db2.gz JENNQLNCWYKJAI-OTEKMADUSA-N 2 0 293.455 1.923 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1CCC1CC1 ZINC001493151187 971961225 /nfs/dbraw/zinc/96/12/25/971961225.db2.gz ZTDLKQSCZKTFTJ-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001325475307 953920114 /nfs/dbraw/zinc/92/01/14/953920114.db2.gz LLEOOBPZTWYQON-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@@H](C)CC[NH+](C)C ZINC001290770652 954072336 /nfs/dbraw/zinc/07/23/36/954072336.db2.gz YZSPIECMQVIBMX-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001493232942 971992108 /nfs/dbraw/zinc/99/21/08/971992108.db2.gz HHNUOCOWDBJPKL-IYKSTZQJSA-N 2 0 281.444 1.733 10 0 CDAERP CC(C)C[NH2+]CC[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001326411461 954366663 /nfs/dbraw/zinc/36/66/63/954366663.db2.gz LMNSCTNJWWZBPC-CVEARBPZSA-N 2 0 295.471 1.812 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](CC[NH2+]C/C=C/Cl)C2)C1 ZINC001326430158 954376606 /nfs/dbraw/zinc/37/66/06/954376606.db2.gz IDPQOMNHAWOLRT-VMSBINOKSA-N 2 0 299.846 1.519 10 0 CDAERP CC[NH+](CC)CC[C@H](C)NC(=O)N(C)CCC[NH+](C)C ZINC001364350807 954489359 /nfs/dbraw/zinc/48/93/59/954489359.db2.gz LGPWFHJEYVCKJU-AWEZNQCLSA-N 2 0 286.464 1.700 10 0 CDAERP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CC1CCCC1 ZINC001493332650 972018359 /nfs/dbraw/zinc/01/83/59/972018359.db2.gz SQLAMDODXXUJTQ-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CCCC1CCC1 ZINC001327900747 955105405 /nfs/dbraw/zinc/10/54/05/955105405.db2.gz HVNHIZURZVOYTO-GOEBONIOSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]C/C=C/Cl ZINC001493548245 972080868 /nfs/dbraw/zinc/08/08/68/972080868.db2.gz ZOEKOSPCKDFUII-IYNGYCSASA-N 2 0 287.835 1.660 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccsc1 ZINC001491569386 955309938 /nfs/dbraw/zinc/30/99/38/955309938.db2.gz QCOLZNFLHYOUFP-NSHDSACASA-N 2 0 269.414 1.294 10 0 CDAERP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC1CC(C)C1 ZINC001421489949 955373623 /nfs/dbraw/zinc/37/36/23/955373623.db2.gz MPPGFJNYEFLCIH-YMAMQOFZSA-N 2 0 281.444 1.613 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCF ZINC001421633201 955445380 /nfs/dbraw/zinc/44/53/80/955445380.db2.gz KDTSLTBJXYTDES-CABCVRRESA-N 2 0 299.434 1.753 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCOCC12CCCC2 ZINC001363337816 972097062 /nfs/dbraw/zinc/09/70/62/972097062.db2.gz YGCFBZPBXLLIKB-HUUCEWRRSA-N 2 0 284.444 1.626 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001491858506 955473001 /nfs/dbraw/zinc/47/30/01/955473001.db2.gz JPUUOFIHDNGBDU-ZIAGYGMSSA-N 2 0 278.400 1.367 10 0 CDAERP CC[C@H](C(=O)NCC1([NH2+]CC[C@@H](C)F)CCC1)[NH+](C)C ZINC001421792557 955547192 /nfs/dbraw/zinc/54/71/92/955547192.db2.gz NHYZEJJJOWUJCX-CHWSQXEVSA-N 2 0 287.423 1.703 10 0 CDAERP CC1CC[NH+](CC(=O)N(C)CC[NH2+]C/C=C\Cl)CC1 ZINC001493742613 972108676 /nfs/dbraw/zinc/10/86/76/972108676.db2.gz RSJGUCMVXDGZEW-UTCJRWHESA-N 2 0 287.835 1.519 10 0 CDAERP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](C)CN1CCOCC1 ZINC001365279537 955818019 /nfs/dbraw/zinc/81/80/19/955818019.db2.gz XWZOBUFVBGEZOA-ZACQAIPSSA-N 2 0 295.471 1.513 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001492390051 955856862 /nfs/dbraw/zinc/85/68/62/955856862.db2.gz ULQURGOQQIAILP-LBPRGKRZSA-N 2 0 273.396 1.124 10 0 CDAERP O[C@H]1CCCC[C@H]1C[NH+]1CCC(N2CCCOCC2)CC1 ZINC001365320642 955888165 /nfs/dbraw/zinc/88/81/65/955888165.db2.gz UHZVZSXGDZFOGZ-RDJZCZTQSA-N 2 0 296.455 1.724 10 0 CDAERP Cc1noc(C)c1C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001422387431 955975869 /nfs/dbraw/zinc/97/58/69/955975869.db2.gz NSOYHYXPPQYDMK-WDEREUQCSA-N 2 0 296.415 1.226 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]1CCCCC[N@@H+]1CCCO)[NH+](C)C ZINC001422701391 956267613 /nfs/dbraw/zinc/26/76/13/956267613.db2.gz NYQIZHACXBCQQQ-LSDHHAIUSA-N 2 0 299.459 1.070 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)C(C)C ZINC001365806319 956377158 /nfs/dbraw/zinc/37/71/58/956377158.db2.gz QBLXDYHBOSTFPZ-HNNXBMFYSA-N 2 0 283.460 1.905 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@@H](C[NH2+]CC2CCC2)C2CC2)C1 ZINC001423018111 956513170 /nfs/dbraw/zinc/51/31/70/956513170.db2.gz HOZLMDFKAFEHIU-CJNGLKHVSA-N 2 0 293.455 1.613 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]([NH2+]CC2CCC2)C2CC2)C1 ZINC001366063850 956541197 /nfs/dbraw/zinc/54/11/97/956541197.db2.gz NHJTVMAWVRMMSL-ZBFHGGJFSA-N 2 0 293.455 1.613 10 0 CDAERP CC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]1[NH2+]CCF ZINC001423067766 956557889 /nfs/dbraw/zinc/55/78/89/956557889.db2.gz RCODOGZTNFPPBB-KGLIPLIRSA-N 2 0 287.423 1.513 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H](F)CC)C1 ZINC001366111706 956572103 /nfs/dbraw/zinc/57/21/03/956572103.db2.gz IMTMNDALGUREIF-ZQDZILKHSA-N 2 0 299.434 1.846 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1CC[C@H](C)F ZINC001423132595 956615214 /nfs/dbraw/zinc/61/52/14/956615214.db2.gz ACDLFMKOWXZARU-STQMWFEESA-N 2 0 273.396 1.267 10 0 CDAERP C[C@@H]1[C@@H]([NH2+]CC2CCCC2)CCN1C(=O)CC[NH+](C)C ZINC001423330660 956725623 /nfs/dbraw/zinc/72/56/23/956725623.db2.gz XFYCDQUKPQUJHK-HIFRSBDPSA-N 2 0 281.444 1.707 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H]1C ZINC001423415990 956768670 /nfs/dbraw/zinc/76/86/70/956768670.db2.gz QWHAWFNUNOOSKB-DZGCQCFKSA-N 2 0 297.443 1.086 10 0 CDAERP C[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)CCC1CCCC1 ZINC001316865581 956769705 /nfs/dbraw/zinc/76/97/05/956769705.db2.gz NDSAMPSWWVSQDE-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1CCN(C(=O)CCCn2ccnc2)C1 ZINC001366387855 956785812 /nfs/dbraw/zinc/78/58/12/956785812.db2.gz HADPTPPHDWIOOU-KGLIPLIRSA-N 2 0 296.390 1.602 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]Cc2ccon2)CCN1C(=O)CC[NH+](C)C ZINC001423457283 956792934 /nfs/dbraw/zinc/79/29/34/956792934.db2.gz HHHQLSXDUCOXDC-STQMWFEESA-N 2 0 294.399 1.095 10 0 CDAERP CC(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001366441002 956829512 /nfs/dbraw/zinc/82/95/12/956829512.db2.gz UWKYCIPNHWVTQA-CABCVRRESA-N 2 0 283.460 2.000 10 0 CDAERP Cc1ncc(C[NH2+][C@@H](C)CCNC(=O)[C@@H]2CCC[N@@H+]2C)o1 ZINC001366454083 956844749 /nfs/dbraw/zinc/84/47/49/956844749.db2.gz QRRLOMQSPKTDDV-FZMZJTMJSA-N 2 0 294.399 1.062 10 0 CDAERP CO[C@@H](C)C[N@@H+]1CCC[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001423691982 956943000 /nfs/dbraw/zinc/94/30/00/956943000.db2.gz BCCFBKTWPRHTEX-GOEBONIOSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001331308598 956961191 /nfs/dbraw/zinc/96/11/91/956961191.db2.gz HEJYQNBBUNOOHI-KGLIPLIRSA-N 2 0 267.417 1.317 10 0 CDAERP C[N@H+](CCCO)CCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001316826243 957047434 /nfs/dbraw/zinc/04/74/34/957047434.db2.gz ZNFVVQKWGFSUEI-UHFFFAOYSA-N 2 0 299.459 1.071 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCC[NH+]2CC2CCC2)C1 ZINC001366669988 957097992 /nfs/dbraw/zinc/09/79/92/957097992.db2.gz OZRWJYSUDUZAPH-GDBMZVCRSA-N 2 0 293.455 1.709 10 0 CDAERP CCCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001331532616 957124939 /nfs/dbraw/zinc/12/49/39/957124939.db2.gz WGOVHSWBIMJLHB-ILXRZTDVSA-N 2 0 283.460 1.953 10 0 CDAERP O=C(C[NH+]1CCCC1)NCCC[N@@H+](C/C=C/Cl)C1CC1 ZINC001316926489 957128829 /nfs/dbraw/zinc/12/88/29/957128829.db2.gz CBUSEKVABVLMOZ-XVNBXDOJSA-N 2 0 299.846 1.805 10 0 CDAERP C[C@@H](F)CC[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)C1CC1 ZINC001366755804 957169805 /nfs/dbraw/zinc/16/98/05/957169805.db2.gz DEQBTBMJUVKUAX-ZIAGYGMSSA-N 2 0 299.434 1.657 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001366850145 957223630 /nfs/dbraw/zinc/22/36/30/957223630.db2.gz GFVJHKZZSSYQAF-CQSZACIVSA-N 2 0 279.428 1.320 10 0 CDAERP O=C([C@H]1C[NH+]2CCC1CC2)N1CCCC[C@H]1C[NH2+]CCF ZINC001317186010 957332231 /nfs/dbraw/zinc/33/22/31/957332231.db2.gz FUYDSEUJSGVRRH-GJZGRUSLSA-N 2 0 297.418 1.268 10 0 CDAERP CC(C)=CC[NH2+]C1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001317221247 957351171 /nfs/dbraw/zinc/35/11/71/957351171.db2.gz CAAHWIDSDRGVMN-FHERZECASA-N 2 0 293.455 1.921 10 0 CDAERP C[C@@H]([NH2+]Cc1ccccc1)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001424844303 957379658 /nfs/dbraw/zinc/37/96/58/957379658.db2.gz SBYCGZKWDNZDIF-CABCVRRESA-N 2 0 289.423 1.765 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+]C/C=C/Cl)C1 ZINC001317339919 957429909 /nfs/dbraw/zinc/42/99/09/957429909.db2.gz OJAJSVGSUZBFJM-WXJAXGNASA-N 2 0 287.835 1.519 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@@H]2C[NH+](CCF)C[C@H]2C1 ZINC001425385923 957523857 /nfs/dbraw/zinc/52/38/57/957523857.db2.gz WOGXNZYAAGJBPG-RBSFLKMASA-N 2 0 299.434 1.513 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001425389615 957526209 /nfs/dbraw/zinc/52/62/09/957526209.db2.gz HVGUMYJWUYNBOI-ZQDZILKHSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cc(CO)on1 ZINC001332426316 957560495 /nfs/dbraw/zinc/56/04/95/957560495.db2.gz DWFZQFZGMZPYBE-GARJFASQSA-N 2 0 253.346 1.158 10 0 CDAERP C[C@@H](CN(C)C(=O)CCC[NH+](C)C)[NH2+]CC1CCCC1 ZINC001425627966 957585860 /nfs/dbraw/zinc/58/58/60/957585860.db2.gz LOCFBZWRZWVURY-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP C[NH2+]C[C@H](C)CN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC001332876058 957907774 /nfs/dbraw/zinc/90/77/74/957907774.db2.gz CUSGWRNVXUMIAO-AEGPPILISA-N 2 0 253.434 1.600 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1CC[N@H+](CCCCCF)C1)[NH+](C)C ZINC001318337221 958044256 /nfs/dbraw/zinc/04/42/56/958044256.db2.gz BXYGNIFSKXQVFL-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP CO[C@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001318445227 958106726 /nfs/dbraw/zinc/10/67/26/958106726.db2.gz KMHRYIVEXKMHMV-HUUCEWRRSA-N 2 0 299.459 1.286 10 0 CDAERP CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CCCF ZINC001318567667 958176959 /nfs/dbraw/zinc/17/69/59/958176959.db2.gz INSYXVWAORHPBL-ZDUSSCGKSA-N 2 0 273.396 1.172 10 0 CDAERP C[C@H](C[NH2+]CC1CCC1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001367695440 958223802 /nfs/dbraw/zinc/22/38/02/958223802.db2.gz XCLDYJIFIFXTQP-CYBMUJFWSA-N 2 0 281.444 1.755 10 0 CDAERP CCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001494908863 972334905 /nfs/dbraw/zinc/33/49/05/972334905.db2.gz ABWJVYQKPAKFKQ-HNNXBMFYSA-N 2 0 281.444 1.661 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H]2C[NH2+]CCCF)C1 ZINC001319124416 958384569 /nfs/dbraw/zinc/38/45/69/958384569.db2.gz LNWZRRYEXLICTP-ZIAGYGMSSA-N 2 0 285.407 1.268 10 0 CDAERP C[C@H](C[N@H+](C)CC1CCC1)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001367839403 958420171 /nfs/dbraw/zinc/42/01/71/958420171.db2.gz WPFQXDSLHYHMTD-ZIAGYGMSSA-N 2 0 281.444 1.565 10 0 CDAERP COC[C@H](C)[N@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001367882705 958453903 /nfs/dbraw/zinc/45/39/03/958453903.db2.gz OLRDOHQTWHUDQA-KBPBESRZSA-N 2 0 299.459 1.332 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1CC[N@@H+]1CC(C)C ZINC001367949749 958508869 /nfs/dbraw/zinc/50/88/69/958508869.db2.gz MVGOKFPTUFNCFT-UONOGXRCSA-N 2 0 287.423 1.513 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CC(C)C ZINC001494980816 972361753 /nfs/dbraw/zinc/36/17/53/972361753.db2.gz HWBGUTBEOCZRMT-LSDHHAIUSA-N 2 0 281.444 1.469 10 0 CDAERP CC[NH+]1CCC(C)(NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001368121121 958649741 /nfs/dbraw/zinc/64/97/41/958649741.db2.gz IJLXWHJYGXHORM-CQSZACIVSA-N 2 0 281.444 1.851 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1CC[NH2+]CCCO ZINC001319790450 958725494 /nfs/dbraw/zinc/72/54/94/958725494.db2.gz JZBDLFSFHYUPIV-HNNXBMFYSA-N 2 0 299.459 1.070 10 0 CDAERP CCC[NH2+][C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C(C)C ZINC001319943284 958800008 /nfs/dbraw/zinc/80/00/08/958800008.db2.gz HNERVMFLQDMLLC-KBPBESRZSA-N 2 0 269.433 1.469 10 0 CDAERP CN(CCC[N@H+](C)CCCF)C(=O)C[NH+]1CCCC1 ZINC001368564548 958971993 /nfs/dbraw/zinc/97/19/93/958971993.db2.gz KAHTZMAPSKRHFE-UHFFFAOYSA-N 2 0 273.396 1.222 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2C[C@H]([NH2+]C/C=C\Cl)C2)C1 ZINC001368603029 958994266 /nfs/dbraw/zinc/99/42/66/958994266.db2.gz DEYBDHFCEHYZKR-GFAIVZKWSA-N 2 0 299.846 1.565 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCCCC[C@H]([NH2+]C[C@@H](C)O)C1 ZINC001368749923 959102192 /nfs/dbraw/zinc/10/21/92/959102192.db2.gz PZNVIGGKBXVEPC-CABCVRRESA-N 2 0 299.459 1.070 10 0 CDAERP C(C[NH2+][C@H]1CCO[C@@]12CCOC2)C[NH+]1CCCC1 ZINC001334731299 959309926 /nfs/dbraw/zinc/30/99/26/959309926.db2.gz KNYVIKDCIGPFMG-UONOGXRCSA-N 2 0 254.374 1.010 10 0 CDAERP CCN(CC[NH2+]CCOC)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001320863323 959430951 /nfs/dbraw/zinc/43/09/51/959430951.db2.gz QDNFPMVRRVIGLL-OAHLLOKOSA-N 2 0 299.459 1.335 10 0 CDAERP C[NH+](C)C1(C(=O)NC/C=C\C[NH2+]CC2CCCC2)CCC1 ZINC001321089259 959585624 /nfs/dbraw/zinc/58/56/24/959585624.db2.gz AGNJYYNWDNBGET-WAYWQWQTSA-N 2 0 293.455 1.923 10 0 CDAERP O=C(NC/C=C\C[NH2+]CCF)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001321089912 959587889 /nfs/dbraw/zinc/58/78/89/959587889.db2.gz COQFOHFJQVYDHI-JZIMQPMSSA-N 2 0 297.418 1.625 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC1CC1 ZINC001369266752 959588245 /nfs/dbraw/zinc/58/82/45/959588245.db2.gz XGHFLUQEIXKFLJ-GDBMZVCRSA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@@H](C(=O)N[C@@]12CCC[C@@H]1[N@@H+](C(C)C)CC2)[NH+](C)C ZINC001369418065 959675395 /nfs/dbraw/zinc/67/53/95/959675395.db2.gz VTSKTKHNMZQZEQ-OFQRWUPVSA-N 2 0 281.444 1.848 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C)C1CC[NH+](C(C)C)CC1)[NH+](C)C ZINC001369561251 959761041 /nfs/dbraw/zinc/76/10/41/959761041.db2.gz UXHPZRMZTAXXRR-HIFRSBDPSA-N 2 0 283.460 1.952 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1)[NH+](C)C ZINC001370052482 959974486 /nfs/dbraw/zinc/97/44/86/959974486.db2.gz YJVTVTZDJZOBFS-LSDHHAIUSA-N 2 0 295.471 1.953 10 0 CDAERP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)CCC12CC(C1)C[NH2+]2 ZINC001335789962 960025781 /nfs/dbraw/zinc/02/57/81/960025781.db2.gz YTSJBIIABNEBCM-ICRTXTNUSA-N 2 0 265.401 1.152 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]CCCF)[NH+]1CCCC1 ZINC001322088026 960079532 /nfs/dbraw/zinc/07/95/32/960079532.db2.gz KNIGZONOVARGMZ-KBPBESRZSA-N 2 0 287.423 1.561 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC2CC2)C1)[NH+]1CCCC1 ZINC001370563586 960147019 /nfs/dbraw/zinc/14/70/19/960147019.db2.gz JZURRQIFSAOCBH-BZUAXINKSA-N 2 0 293.455 1.754 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001370668041 960178693 /nfs/dbraw/zinc/17/86/93/960178693.db2.gz SGOWYLKVXWANCN-YUELXQCFSA-N 2 0 281.444 1.611 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001370738178 960191867 /nfs/dbraw/zinc/19/18/67/960191867.db2.gz XAAPCHFKAIBKRQ-BYNSBNAKSA-N 2 0 299.434 1.846 10 0 CDAERP C[C@@H](F)CC[NH2+]CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001322544320 960254167 /nfs/dbraw/zinc/25/41/67/960254167.db2.gz VXMQCHLCWSLDTG-CYBMUJFWSA-N 2 0 287.423 1.657 10 0 CDAERP CC[C@H](C(=O)N(C)CCC[NH2+]Cc1nccs1)[NH+](C)C ZINC001322567532 960262563 /nfs/dbraw/zinc/26/25/63/960262563.db2.gz ZBWSNVQNEZCWFL-GFCCVEGCSA-N 2 0 298.456 1.421 10 0 CDAERP CN(CC[NH+]1CCCC1)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001433658112 960487199 /nfs/dbraw/zinc/48/71/99/960487199.db2.gz HAYCESZPEAIFDO-HUUCEWRRSA-N 2 0 281.444 1.661 10 0 CDAERP CN(CC[NH+]1CCCC1)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001433658110 960487849 /nfs/dbraw/zinc/48/78/49/960487849.db2.gz HAYCESZPEAIFDO-GJZGRUSLSA-N 2 0 281.444 1.661 10 0 CDAERP CC[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)CCC1CC1 ZINC001418571342 960741234 /nfs/dbraw/zinc/74/12/34/960741234.db2.gz UFYULTFWUJCBMT-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP CC[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)CCC1CC1 ZINC001418571340 960743903 /nfs/dbraw/zinc/74/39/03/960743903.db2.gz UFYULTFWUJCBMT-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP C[C@@H]([NH2+]CCF)C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001418845854 961089402 /nfs/dbraw/zinc/08/94/02/961089402.db2.gz OKBZIJKSFXKNJI-UONOGXRCSA-N 2 0 299.434 1.514 10 0 CDAERP CC[C@H](C[NH2+][C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1)OC ZINC001418949368 961186684 /nfs/dbraw/zinc/18/66/84/961186684.db2.gz ZUYZWPLGFKVUTG-RRFJBIMHSA-N 2 0 299.459 1.332 10 0 CDAERP C[NH+](C)CCc1cccc(C(=O)NC[C@@H]2CC[N@@H+]2C)c1 ZINC001434374958 961232938 /nfs/dbraw/zinc/23/29/38/961232938.db2.gz FOBCTAWSDNLBPH-HNNXBMFYSA-N 2 0 275.396 1.225 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CCCC(C)(C)C)C2)C1 ZINC001419067239 961325596 /nfs/dbraw/zinc/32/55/96/961325596.db2.gz NEZUFAZXXWONPA-GJZGRUSLSA-N 2 0 295.471 1.955 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC1CCC1)C1CC1 ZINC001419251350 961550031 /nfs/dbraw/zinc/55/00/31/961550031.db2.gz VSEDIYOXXLRKFZ-CABCVRRESA-N 2 0 279.428 1.365 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC1CCC1)C1CC1 ZINC001419251354 961550786 /nfs/dbraw/zinc/55/07/86/961550786.db2.gz VSEDIYOXXLRKFZ-GJZGRUSLSA-N 2 0 279.428 1.365 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1CCC[N@H+](CCCF)C1 ZINC001419630581 961888618 /nfs/dbraw/zinc/88/86/18/961888618.db2.gz GKGOKRVIGIITTO-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)C(C)C ZINC001436334793 962186073 /nfs/dbraw/zinc/18/60/73/962186073.db2.gz QWLWPKNNTZVSIO-HUUCEWRRSA-N 2 0 283.460 1.905 10 0 CDAERP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1 ZINC001419897789 962215271 /nfs/dbraw/zinc/21/52/71/962215271.db2.gz MCBSUYSRIRTCRP-GDBMZVCRSA-N 2 0 289.423 1.623 10 0 CDAERP CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCC1CC1 ZINC001419935712 962253750 /nfs/dbraw/zinc/25/37/50/962253750.db2.gz GTVYVPSMAZKJHP-HUUCEWRRSA-N 2 0 281.444 1.469 10 0 CDAERP COC[C@H](C)[N@H+](C)CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001419993626 962342517 /nfs/dbraw/zinc/34/25/17/962342517.db2.gz PMXLKYUHZWIRLL-AWEZNQCLSA-N 2 0 299.459 1.286 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC2CC(C)C2)C1 ZINC001436695807 962348998 /nfs/dbraw/zinc/34/89/98/962348998.db2.gz XRRGEJCSXBQADQ-UYSNPLJNSA-N 2 0 295.471 1.953 10 0 CDAERP CC[NH+]1CCC(CC[NH2+]Cc2cc(C)n[nH]2)CC1 ZINC001339510206 962391758 /nfs/dbraw/zinc/39/17/58/962391758.db2.gz REOQZBNWOSTKGI-UHFFFAOYSA-N 2 0 250.390 1.930 10 0 CDAERP C[C@@H]1[C@H](C(=O)NC[C@@H]([NH2+]CC2CCC2)C2CC2)CC[N@@H+]1C ZINC001436787423 962417420 /nfs/dbraw/zinc/41/74/20/962417420.db2.gz JSGBAQXLQVTDMT-DAXOMENPSA-N 2 0 293.455 1.611 10 0 CDAERP C[C@H](F)CC[N@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001420050202 962419492 /nfs/dbraw/zinc/41/94/92/962419492.db2.gz MVQLBGWWBCNAGZ-GJZGRUSLSA-N 2 0 299.434 1.753 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCCC2)C1 ZINC001436922782 962501451 /nfs/dbraw/zinc/50/14/51/962501451.db2.gz DFBWNLWINZIHHO-SHTZXODSSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H](C[NH2+]CC1CC2(CCC2)C1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001420275086 962664041 /nfs/dbraw/zinc/66/40/41/962664041.db2.gz XZKMAOWQBCVIJU-HIFRSBDPSA-N 2 0 293.455 1.755 10 0 CDAERP CC(C)CCC[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001437485589 962948295 /nfs/dbraw/zinc/94/82/95/962948295.db2.gz VZGRPRFXMNCRKW-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001420538337 963027939 /nfs/dbraw/zinc/02/79/39/963027939.db2.gz ZMEPLDLFRFXWFC-KBPBESRZSA-N 2 0 299.434 1.657 10 0 CDAERP CC[C@@H](C)C[NH+]1CC(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001438051173 963300122 /nfs/dbraw/zinc/30/01/22/963300122.db2.gz CIBUAAJAVVYLEI-HIFRSBDPSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[NH+](C)CC(=O)N(C)[C@H]1CC[N@@H+](CC[C@H](C)F)C1 ZINC001438253241 963383311 /nfs/dbraw/zinc/38/33/11/963383311.db2.gz IRLBNHKLXPMWCR-KBPBESRZSA-N 2 0 287.423 1.607 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001420966164 963391126 /nfs/dbraw/zinc/39/11/26/963391126.db2.gz KUONUDYZROUGTA-SOUVJXGZSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H](CC)CNC(=O)C[NH+]1CCCC1 ZINC001438368882 963434025 /nfs/dbraw/zinc/43/40/25/963434025.db2.gz NWXOVRKSIDXYGZ-CHWSQXEVSA-N 2 0 273.396 1.315 10 0 CDAERP CC(C)CC[NH+]1CC(N(C)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001421066843 963439707 /nfs/dbraw/zinc/43/97/07/963439707.db2.gz ZSDLSKRDGHLIJX-UHFFFAOYSA-N 2 0 281.444 1.659 10 0 CDAERP C[C@H](C[NH2+]Cc1ccc(F)cn1)N(C)C(=O)CC[NH+](C)C ZINC001438677855 963523215 /nfs/dbraw/zinc/52/32/15/963523215.db2.gz XNWOMBOBDXQRCE-GFCCVEGCSA-N 2 0 296.390 1.109 10 0 CDAERP CC(C)CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001438769165 963545942 /nfs/dbraw/zinc/54/59/42/963545942.db2.gz KCINSCOZMBRTGX-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001439131615 963650859 /nfs/dbraw/zinc/65/08/59/963650859.db2.gz QSSGACMPQZUSKL-HUUCEWRRSA-N 2 0 283.460 1.857 10 0 CDAERP C[C@@H](C[N@H+](C)CC1CC1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001439325475 963723360 /nfs/dbraw/zinc/72/33/60/963723360.db2.gz JRKDAQOXJWMJOT-WFASDCNBSA-N 2 0 279.428 1.175 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH+](C)CC1CCCC1 ZINC001439387180 963747728 /nfs/dbraw/zinc/74/77/28/963747728.db2.gz NGXZNBLUTRNCJQ-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]CCC1CC1 ZINC001439514953 963782193 /nfs/dbraw/zinc/78/21/93/963782193.db2.gz NOHKTGWLGFSZPV-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]Cc2ccns2)CC1 ZINC001439679893 963837323 /nfs/dbraw/zinc/83/73/23/963837323.db2.gz YIHUNJOANFIHAU-UHFFFAOYSA-N 2 0 296.440 1.222 10 0 CDAERP CC(C)[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CCF)C1)[NH+](C)C ZINC001440399373 964015833 /nfs/dbraw/zinc/01/58/33/964015833.db2.gz CQJUBRVZTIFAET-MJBXVCDLSA-N 2 0 287.423 1.417 10 0 CDAERP Cc1nccn1CC(=O)N[C@H]1C[C@H](C[NH2+]CC(C)C)C1 ZINC001441366266 964478826 /nfs/dbraw/zinc/47/88/26/964478826.db2.gz PVMSAEQSSOSYAM-HDJSIYSDSA-N 2 0 278.400 1.332 10 0 CDAERP CC[C@H](C)C[NH2+]C1CC(N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001442249389 964959422 /nfs/dbraw/zinc/95/94/22/964959422.db2.gz DXOJGDMURWUZCN-NFOMZHRRSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH+](C)C)C1 ZINC001442621049 965142689 /nfs/dbraw/zinc/14/26/89/965142689.db2.gz ZIACDYFNDFGKKF-OLZOCXBDSA-N 2 0 255.406 1.173 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCC(F)(F)F ZINC001444038040 965720454 /nfs/dbraw/zinc/72/04/54/965720454.db2.gz LKYZVWNNIVAIIQ-WDEREUQCSA-N 2 0 295.349 1.375 10 0 CDAERP CCc1nccn1[C@H](C)CC(=O)NC[C@@H]1CC[N@@H+]1C(C)C ZINC001446025049 966422523 /nfs/dbraw/zinc/42/25/23/966422523.db2.gz FDDJKSXQJOXFNY-KGLIPLIRSA-N 2 0 292.427 1.996 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001446439390 966543959 /nfs/dbraw/zinc/54/39/59/966543959.db2.gz HHRIPDRPEKHUCH-CVEARBPZSA-N 2 0 293.455 1.565 10 0 CDAERP CC(C)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001448395018 967095382 /nfs/dbraw/zinc/09/53/82/967095382.db2.gz KWQRKGZSAHEJON-CQSZACIVSA-N 2 0 283.460 1.809 10 0 CDAERP O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@H](C[NH2+]CC2CC2)C1 ZINC001448523539 967139596 /nfs/dbraw/zinc/13/95/96/967139596.db2.gz YYWDGECJHNSTOQ-WKILWMFISA-N 2 0 293.455 1.757 10 0 CDAERP C[NH+](C)C1(C(=O)NCCC[NH+]2CCCCC2)CCCC1 ZINC001540506171 967145459 /nfs/dbraw/zinc/14/54/59/967145459.db2.gz MDBYOEGXLASADX-UHFFFAOYSA-N 2 0 281.444 1.853 10 0 CDAERP C[C@@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CCF ZINC001448718416 967221995 /nfs/dbraw/zinc/22/19/95/967221995.db2.gz LOTOBGUMPDXKOJ-LBPRGKRZSA-N 2 0 273.396 1.267 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC(C)C)C(C)(C)C1 ZINC001449082363 967355356 /nfs/dbraw/zinc/35/53/56/967355356.db2.gz DIDMJBNNDNSURC-CQSZACIVSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)[NH+]1CCC(C2(NC(=O)CC[NH+](C)C)CC2)CC1 ZINC001449403882 967454034 /nfs/dbraw/zinc/45/40/34/967454034.db2.gz SHASZZYRFNWMMO-UHFFFAOYSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[C@H]1CN(C(=O)C2([NH+](C)C)CCCC2)CC[NH2+]1 ZINC001453734337 968369667 /nfs/dbraw/zinc/36/96/67/968369667.db2.gz JVUTXTVYBBUFQP-CYBMUJFWSA-N 2 0 267.417 1.317 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C)[C@@H](C(C)C)C1 ZINC001454886517 968562409 /nfs/dbraw/zinc/56/24/09/968562409.db2.gz FYCQRGDQWWIUEX-HZPDHXFCSA-N 2 0 295.471 1.905 10 0 CDAERP CN1CC[C@@H]([N@@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)C1=O ZINC001414055217 969896841 /nfs/dbraw/zinc/89/68/41/969896841.db2.gz ASCBDANLZHZIGW-BMFZPTHFSA-N 2 0 277.412 1.025 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)NCC[NH+]2CCC[C@@H](C)C2)C1 ZINC001361801881 970546072 /nfs/dbraw/zinc/54/60/72/970546072.db2.gz FLTCGCGOJALXTA-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+]2C2CCCC2)C1 ZINC001472451504 970648850 /nfs/dbraw/zinc/64/88/50/970648850.db2.gz VBCFODCXXHXGFZ-CABCVRRESA-N 2 0 279.428 1.556 10 0 CDAERP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)C[NH2+]CCC1CC1 ZINC001495685924 972595160 /nfs/dbraw/zinc/59/51/60/972595160.db2.gz YFBMZUYYIGQYPZ-ZDUSSCGKSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C[NH2+]C/C=C\Cl ZINC001495721387 972610393 /nfs/dbraw/zinc/61/03/93/972610393.db2.gz DDITWCSIKRKJMK-REPZICSESA-N 2 0 287.835 1.565 10 0 CDAERP CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001496294130 972875515 /nfs/dbraw/zinc/87/55/15/972875515.db2.gz GLRLLDLITXEJFI-STQMWFEESA-N 2 0 255.406 1.079 10 0 CDAERP Cc1ncoc1C[NH2+][C@H](CNC(=O)CC[NH+](C)C)C(C)C ZINC001496597098 972982565 /nfs/dbraw/zinc/98/25/65/972982565.db2.gz JPCUQJKRFGYTGC-CYBMUJFWSA-N 2 0 296.415 1.165 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1CCC[N@@H+]1CC1CC1 ZINC001372511987 972991400 /nfs/dbraw/zinc/99/14/00/972991400.db2.gz QRJPSUSCYXGXPD-LSDHHAIUSA-N 2 0 299.434 1.657 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CCC[NH+]1CCCF ZINC001372521458 972995255 /nfs/dbraw/zinc/99/52/55/972995255.db2.gz JXQHMSDUKAKAOR-LSDHHAIUSA-N 2 0 299.434 1.801 10 0 CDAERP CC[C@H](F)C[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C(C)C ZINC001496640879 973004786 /nfs/dbraw/zinc/00/47/86/973004786.db2.gz DJJJCRUQVKRLHA-KBPBESRZSA-N 2 0 287.423 1.561 10 0 CDAERP CC(C)(C(=O)NC[C@@H]1CC[N@H+](CC2CC2)C1)[NH+]1CCCC1 ZINC001372632462 973058353 /nfs/dbraw/zinc/05/83/53/973058353.db2.gz KDVJFQWSVSUPLP-HNNXBMFYSA-N 2 0 293.455 1.709 10 0 CDAERP C[C@@H](CC[NH2+]CCF)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001497252678 973262534 /nfs/dbraw/zinc/26/25/34/973262534.db2.gz AVTPTVMKIMQXLM-AVGNSLFASA-N 2 0 273.396 1.171 10 0 CDAERP C[N@H+](CCC1CC1)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001373276465 973340033 /nfs/dbraw/zinc/34/00/33/973340033.db2.gz BRCGHRMHICTPRE-HOTGVXAUSA-N 2 0 293.455 1.661 10 0 CDAERP CCN(CC[NH2+]C[C@H](C)O)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001497465110 973358115 /nfs/dbraw/zinc/35/81/15/973358115.db2.gz UWPOJFUMULNFRD-GJZGRUSLSA-N 2 0 299.459 1.070 10 0 CDAERP CCN(CC[NH2+]Cc1cnc(C)o1)C(=O)C[N@H+](C)C(C)C ZINC001497500366 973369019 /nfs/dbraw/zinc/36/90/19/973369019.db2.gz GJNCCSTXWFTDBH-UHFFFAOYSA-N 2 0 296.415 1.261 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH+](C)C[C@H](C)O ZINC001417860276 973425213 /nfs/dbraw/zinc/42/52/13/973425213.db2.gz VINBZYRIQUQQRW-GJZGRUSLSA-N 2 0 299.459 1.022 10 0 CDAERP CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001497728177 973480545 /nfs/dbraw/zinc/48/05/45/973480545.db2.gz ASPDQWZPEKUXMG-MUHKLVGJSA-N 2 0 281.444 1.779 10 0 CDAERP CC(C)CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001497750789 973487862 /nfs/dbraw/zinc/48/78/62/973487862.db2.gz WEWVURURWRKZHJ-MBVDDHJVSA-N 2 0 281.444 1.636 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CC1CC1 ZINC001497762356 973489104 /nfs/dbraw/zinc/48/91/04/973489104.db2.gz HCLHUANANLTYRK-RGDDUWESSA-N 2 0 279.428 1.533 10 0 CDAERP C[C@H](C[NH2+]CCCCCF)NC(=O)C1CC[NH+](C)CC1 ZINC001497899048 973569498 /nfs/dbraw/zinc/56/94/98/973569498.db2.gz JLGVOGKPEOXINW-CYBMUJFWSA-N 2 0 287.423 1.562 10 0 CDAERP CCCCCC[NH2+]C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001497962612 973591668 /nfs/dbraw/zinc/59/16/68/973591668.db2.gz JXCBEUBWFAFWQN-CQSZACIVSA-N 2 0 281.444 1.757 10 0 CDAERP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccccc1 ZINC001373826621 973657164 /nfs/dbraw/zinc/65/71/64/973657164.db2.gz UPUWXWJBBMSXHJ-INIZCTEOSA-N 2 0 289.423 1.767 10 0 CDAERP C[C@@H](C[NH2+]CCCCCF)NC(=O)C12CC[NH+](CC1)C2 ZINC001498160724 973719152 /nfs/dbraw/zinc/71/91/52/973719152.db2.gz NVTFTXXWCLUXOQ-ZDUSSCGKSA-N 2 0 285.407 1.316 10 0 CDAERP CN(CCC[NH2+]Cc1ccns1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001498655212 974012740 /nfs/dbraw/zinc/01/27/40/974012740.db2.gz NZFGISLIZPXPEQ-LBPRGKRZSA-N 2 0 296.440 1.033 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001498816969 974070640 /nfs/dbraw/zinc/07/06/40/974070640.db2.gz JCLTVZCFWSFBLK-SWLSCSKDSA-N 2 0 299.434 1.561 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001498816967 974070741 /nfs/dbraw/zinc/07/07/41/974070741.db2.gz JCLTVZCFWSFBLK-IUODEOHRSA-N 2 0 299.434 1.561 10 0 CDAERP C[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CCCCCF)CC1 ZINC001499051844 974173698 /nfs/dbraw/zinc/17/36/98/974173698.db2.gz YBUWVBWSWWTUDA-HNNXBMFYSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC[C@H](C)F)CC1 ZINC001499225516 974218150 /nfs/dbraw/zinc/21/81/50/974218150.db2.gz DOIBPXFFVYXTQG-UONOGXRCSA-N 2 0 299.434 1.846 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001499264559 974224532 /nfs/dbraw/zinc/22/45/32/974224532.db2.gz ZPFGTGXUENPDQH-CYBMUJFWSA-N 2 0 267.417 1.509 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]CCF)C1CCCC1 ZINC001500108088 974375041 /nfs/dbraw/zinc/37/50/41/974375041.db2.gz YAOIBXHATZAZMW-CYBMUJFWSA-N 2 0 273.396 1.172 10 0 CDAERP CC[C@@H](C(=O)N[C@]1(C)CC[N@H+](CCOC)C1)[NH+](CC)CC ZINC001500258408 974412766 /nfs/dbraw/zinc/41/27/66/974412766.db2.gz SIOGDFGKABZQSD-GOEBONIOSA-N 2 0 299.459 1.334 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@](C)(C[NH2+]CCCF)C1 ZINC001500368130 974428624 /nfs/dbraw/zinc/42/86/24/974428624.db2.gz OUKPOXDSYBIZLM-UKRRQHHQSA-N 2 0 285.407 1.268 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@]2(CC[NH+](CCF)C2)C1 ZINC001375647696 974444565 /nfs/dbraw/zinc/44/45/65/974444565.db2.gz XNEDFESNRZJAAP-HNNXBMFYSA-N 2 0 285.407 1.221 10 0 CDAERP CC[C@@H](C(=O)N1CCCC[C@H]1C[N@H+](C)CCCO)[NH+](C)C ZINC001375680366 974452465 /nfs/dbraw/zinc/45/24/65/974452465.db2.gz QJGKMFZVLQTKGV-GJZGRUSLSA-N 2 0 299.459 1.022 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]CC2CC2)C2CCCC2)C1 ZINC001375794495 974478908 /nfs/dbraw/zinc/47/89/08/974478908.db2.gz YGEGGFBHNZRVRN-HZPDHXFCSA-N 2 0 293.455 1.613 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CCF)CC1 ZINC001501691066 974624874 /nfs/dbraw/zinc/62/48/74/974624874.db2.gz SXQMQQJKENMGKW-IHRRRGAJSA-N 2 0 285.407 1.315 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001376409437 974654607 /nfs/dbraw/zinc/65/46/07/974654607.db2.gz JPZDVNVAMCFXGX-KQTLUZQSSA-N 2 0 297.418 1.457 10 0 CDAERP CC(C)(C(=O)NCC1([NH2+]CC2CC2)CCC1)[NH+]1CCCC1 ZINC001501988049 974669544 /nfs/dbraw/zinc/66/95/44/974669544.db2.gz CMDRMZOHECPSKX-UHFFFAOYSA-N 2 0 293.455 1.899 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nccs2)C1 ZINC001376510177 974677441 /nfs/dbraw/zinc/67/74/41/974677441.db2.gz GWBBVKVUMYDVTN-TXEJJXNPSA-N 2 0 296.440 1.220 10 0 CDAERP O=C(NCC1([NH2+]CCF)CCC1)C12CCC[NH+](CCC1)C2 ZINC001376754292 974756241 /nfs/dbraw/zinc/75/62/41/974756241.db2.gz XNEAKHBUBBSFBH-UHFFFAOYSA-N 2 0 297.418 1.460 10 0 CDAERP CCC[NH2+][C@H](C)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001376797137 974772358 /nfs/dbraw/zinc/77/23/58/974772358.db2.gz DQTQFYJIMXJMFW-IUODEOHRSA-N 2 0 287.423 1.703 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cc(F)cc(F)c1 ZINC001376813431 974781498 /nfs/dbraw/zinc/78/14/98/974781498.db2.gz UKSFXJXNICMQBY-LLVKDONJSA-N 2 0 299.365 1.511 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001376939204 974825652 /nfs/dbraw/zinc/82/56/52/974825652.db2.gz BLIJPMYWNKISKS-HUUCEWRRSA-N 2 0 281.444 1.565 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)CC[C@H](C)F ZINC001377279586 974955266 /nfs/dbraw/zinc/95/52/66/974955266.db2.gz ZAISQEPHWFRLHU-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)CC[C@@H](C)F ZINC001377279612 974955463 /nfs/dbraw/zinc/95/54/63/974955463.db2.gz ZAISQEPHWFRLHU-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)[NH2+][C@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001505686990 974962389 /nfs/dbraw/zinc/96/23/89/974962389.db2.gz XMVOHIKDEWTKBJ-VXGBXAGGSA-N 2 0 255.406 1.219 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)[NH2+]Cc1ccccc1 ZINC001505684734 974962439 /nfs/dbraw/zinc/96/24/39/974962439.db2.gz CGTUJUNBMQVOSQ-ZIAGYGMSSA-N 2 0 277.412 1.621 10 0 CDAERP CC[NH2+]CC(C)(C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001505845380 974999648 /nfs/dbraw/zinc/99/96/48/974999648.db2.gz LDCAJHFRRFFUIP-UHFFFAOYSA-N 2 0 267.417 1.176 10 0 CDAERP CC(C)COCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001506056093 975102945 /nfs/dbraw/zinc/10/29/45/975102945.db2.gz AHWQEBWUPNLBIL-CABCVRRESA-N 2 0 299.459 1.047 10 0 CDAERP CCCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001377664361 975105641 /nfs/dbraw/zinc/10/56/41/975105641.db2.gz QZGLIDCUYJYUBF-OAHLLOKOSA-N 2 0 293.455 1.804 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001377705824 975116786 /nfs/dbraw/zinc/11/67/86/975116786.db2.gz HQTGCIVVJGPFJU-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)[C@@H](C)[NH2+]CCO ZINC001377815586 975147392 /nfs/dbraw/zinc/14/73/92/975147392.db2.gz HQNALCXBMHOVJX-ZIAGYGMSSA-N 2 0 299.459 1.116 10 0 CDAERP CC[NH2+]CC(C)(C)CN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001377972807 975189812 /nfs/dbraw/zinc/18/98/12/975189812.db2.gz PZRQOQVETHTUJB-ZIAGYGMSSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@H](CCC[NH2+]CC[C@H](C)F)NC(=O)C12CC[NH+](CC1)C2 ZINC001506946688 975270076 /nfs/dbraw/zinc/27/00/76/975270076.db2.gz NRULFYRQBDTBPP-UONOGXRCSA-N 2 0 299.434 1.705 10 0 CDAERP CC(C)[C@@H](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CCF ZINC001506985740 975284669 /nfs/dbraw/zinc/28/46/69/975284669.db2.gz NFOKDMYRVAXIJN-HUUCEWRRSA-N 2 0 299.434 1.418 10 0 CDAERP CC[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CCC1CC1 ZINC001378301952 975323566 /nfs/dbraw/zinc/32/35/66/975323566.db2.gz NREKKJLGBAMARG-ZFWWWQNUSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cncs1 ZINC001378341286 975334537 /nfs/dbraw/zinc/33/45/37/975334537.db2.gz LXDAFMXIHMGBAK-NWDGAFQWSA-N 2 0 296.440 1.079 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001507116617 975341676 /nfs/dbraw/zinc/34/16/76/975341676.db2.gz CRRUKDUWSQMREW-ZIAGYGMSSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C[NH2+]CC1CCCC1 ZINC001378611544 975415321 /nfs/dbraw/zinc/41/53/21/975415321.db2.gz WUMIITJHGPRHRY-CABCVRRESA-N 2 0 295.471 1.860 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001507408667 975457360 /nfs/dbraw/zinc/45/73/60/975457360.db2.gz DZFUFPDDGOFYDJ-HUUCEWRRSA-N 2 0 281.444 1.779 10 0 CDAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@H]1C[C@@H]([NH2+]CCF)C1 ZINC001397088644 975457865 /nfs/dbraw/zinc/45/78/65/975457865.db2.gz DAQLLWDIXSPDID-XDQVBPFNSA-N 2 0 285.407 1.313 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001507427655 975466967 /nfs/dbraw/zinc/46/69/67/975466967.db2.gz KWOMSSPAXWYCDY-CHWSQXEVSA-N 2 0 255.406 1.221 10 0 CDAERP COC[C@H](C)[NH2+][C@H]1CCCCCN(C(=O)CC[NH+](C)C)C1 ZINC001397224494 975502899 /nfs/dbraw/zinc/50/28/99/975502899.db2.gz IUQGWZAZPFMFLI-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1C[C@H]1CCCCO1 ZINC001397250163 975515000 /nfs/dbraw/zinc/51/50/00/975515000.db2.gz DSPZYOAEIIRRBX-KFWWJZLASA-N 2 0 297.443 1.086 10 0 CDAERP Cc1oncc1C[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+](C)C(C)C ZINC001378863673 975522958 /nfs/dbraw/zinc/52/29/58/975522958.db2.gz XVBAGLUCKMYMEP-LBPRGKRZSA-N 2 0 296.415 1.260 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001388790178 975596645 /nfs/dbraw/zinc/59/66/45/975596645.db2.gz XUMJSDFQABANRT-MCIONIFRSA-N 2 0 287.423 1.655 10 0 CDAERP CC(C)OCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)C(C)C ZINC001397584696 975645001 /nfs/dbraw/zinc/64/50/01/975645001.db2.gz VPMFHAKBRJTRIZ-OAHLLOKOSA-N 2 0 299.459 1.284 10 0 CDAERP C[C@H](CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]CCF ZINC001379134549 975683904 /nfs/dbraw/zinc/68/39/04/975683904.db2.gz HNTADCWTZXNZCG-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001401653971 975763565 /nfs/dbraw/zinc/76/35/65/975763565.db2.gz JBQSTERLDTVZES-ZIAGYGMSSA-N 2 0 299.459 1.238 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001398343221 975949285 /nfs/dbraw/zinc/94/92/85/975949285.db2.gz PJLHUCAPERLFIG-HOTGVXAUSA-N 2 0 295.471 1.953 10 0 CDAERP CC[NH2+][C@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001398458570 975995845 /nfs/dbraw/zinc/99/58/45/975995845.db2.gz ZFOFYBFGCUPGLL-HUUCEWRRSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001379679056 976004775 /nfs/dbraw/zinc/00/47/75/976004775.db2.gz ABEBKBSPSIGUBG-GJZGRUSLSA-N 2 0 283.460 1.857 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC001379694818 976013567 /nfs/dbraw/zinc/01/35/67/976013567.db2.gz ZCBBHPYCYRRSHZ-QWHCGFSZSA-N 2 0 275.412 1.511 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001398524016 976017419 /nfs/dbraw/zinc/01/74/19/976017419.db2.gz HSOGVCMRRKCMRG-STQMWFEESA-N 2 0 285.407 1.267 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1CC1CCCC1 ZINC001401929713 976019211 /nfs/dbraw/zinc/01/92/11/976019211.db2.gz WSLFHEYIDLUJSO-OAHLLOKOSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001401985113 976058993 /nfs/dbraw/zinc/05/89/93/976058993.db2.gz IWQXINGFUWRGFC-KGLIPLIRSA-N 2 0 299.434 1.847 10 0 CDAERP CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]C/C=C\Cl)C1)[NH+]1CCCC1 ZINC001398624946 976080628 /nfs/dbraw/zinc/08/06/28/976080628.db2.gz LMBKMRBIOTVWGH-QXXLOIIESA-N 2 0 299.846 1.850 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H]([NH2+]C/C=C/Cl)C2)C1 ZINC001390013202 976083346 /nfs/dbraw/zinc/08/33/46/976083346.db2.gz YCBSULVDZAXZRF-LSUKPBCKSA-N 2 0 285.819 1.318 10 0 CDAERP C[C@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001406408413 976168437 /nfs/dbraw/zinc/16/84/37/976168437.db2.gz HDDWFMHWUCLHRV-KGLIPLIRSA-N 2 0 295.471 1.859 10 0 CDAERP COC[C@@H](C)[N@H+](C)CCN(C(=O)C[NH+]1CCCC1)C(C)C ZINC001380044086 976207048 /nfs/dbraw/zinc/20/70/48/976207048.db2.gz ZEUKNVUWMGEFIW-OAHLLOKOSA-N 2 0 299.459 1.286 10 0 CDAERP CCC[NH2+][C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001402290997 976220646 /nfs/dbraw/zinc/22/06/46/976220646.db2.gz AJXIGGARVPEMRQ-GJZGRUSLSA-N 2 0 279.428 1.223 10 0 CDAERP CC(C)CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001402290858 976221182 /nfs/dbraw/zinc/22/11/82/976221182.db2.gz ACCXYJGXPDWGMX-FVQBIDKESA-N 2 0 295.471 1.857 10 0 CDAERP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]C/C=C\Cl ZINC001398912693 976236577 /nfs/dbraw/zinc/23/65/77/976236577.db2.gz CUCOKYPEHDAHIG-XHSUHYBKSA-N 2 0 287.835 1.706 10 0 CDAERP C[C@@H](F)CC[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001398957453 976267723 /nfs/dbraw/zinc/26/77/23/976267723.db2.gz UPGDLTGYJZKERC-NEPJUHHUSA-N 2 0 273.396 1.313 10 0 CDAERP CC(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001402425396 976276541 /nfs/dbraw/zinc/27/65/41/976276541.db2.gz LGKFCNZDYLIBIL-GJZGRUSLSA-N 2 0 293.455 1.565 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CCCC1 ZINC001380313629 976345502 /nfs/dbraw/zinc/34/55/02/976345502.db2.gz GZBBOSKHOGIYFP-HZPDHXFCSA-N 2 0 293.455 1.613 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CCCF ZINC001406717104 976379789 /nfs/dbraw/zinc/37/97/89/976379789.db2.gz HMSRWWWSNTXKEX-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP Cc1ncoc1C[N@@H+](C)CCCN(C)C(=O)CC[NH+](C)C ZINC001402649091 976425532 /nfs/dbraw/zinc/42/55/32/976425532.db2.gz NZRYNBQPROLTQK-UHFFFAOYSA-N 2 0 296.415 1.215 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001390680426 976433682 /nfs/dbraw/zinc/43/36/82/976433682.db2.gz ROUPFMVVRQHQPN-ZIAGYGMSSA-N 2 0 299.434 1.847 10 0 CDAERP CCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001402710282 976449217 /nfs/dbraw/zinc/44/92/17/976449217.db2.gz WLUBQSGYGSTFMM-AWEZNQCLSA-N 2 0 281.444 1.851 10 0 CDAERP Cc1cc(C[NH2+][C@@H](C)CCNC(=O)C[N@H+](C)C(C)C)no1 ZINC001390726202 976459412 /nfs/dbraw/zinc/45/94/12/976459412.db2.gz LLICFWKBLVZQQJ-LBPRGKRZSA-N 2 0 296.415 1.308 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC2CC2)CC1(C)C ZINC001402792075 976482859 /nfs/dbraw/zinc/48/28/59/976482859.db2.gz XCOLHBBYELLEKD-OAHLLOKOSA-N 2 0 295.471 1.953 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH2+]CCC3CC3)CC2)C1 ZINC001406987827 976506323 /nfs/dbraw/zinc/50/63/23/976506323.db2.gz MSGRGDJWLJIXKM-CQSZACIVSA-N 2 0 279.428 1.367 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]CC3CC(C)(C)C3)CC2)C1 ZINC001407014061 976511976 /nfs/dbraw/zinc/51/19/76/976511976.db2.gz PBMSIDSFOLJRHD-CQSZACIVSA-N 2 0 293.455 1.613 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCOC ZINC001380754926 976534004 /nfs/dbraw/zinc/53/40/04/976534004.db2.gz BXOKYWGUFYKMLY-HUUCEWRRSA-N 2 0 297.443 1.040 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]Cc1cncs1 ZINC001407121074 976563222 /nfs/dbraw/zinc/56/32/22/976563222.db2.gz OMFQXLDEPAHUKN-GFCCVEGCSA-N 2 0 296.440 1.175 10 0 CDAERP CC[C@@H](C[N@@H+]1CC[C@@](C)(NC(=O)C[NH+](C)C(C)C)C1)OC ZINC001407206000 976602799 /nfs/dbraw/zinc/60/27/99/976602799.db2.gz JYPDDDSIVZPDEI-GOEBONIOSA-N 2 0 299.459 1.332 10 0 CDAERP CC[N@H+](CCNC(=O)C[NH+](C)C(C)C)C[C@@H]1CCCCO1 ZINC001391019627 976649667 /nfs/dbraw/zinc/64/96/67/976649667.db2.gz ITQBKAJQQJRWCN-HNNXBMFYSA-N 2 0 299.459 1.334 10 0 CDAERP CC[C@@H](C(=O)NC[C@H]1CC[N@H+](CCF)C1)[NH+](CC)CC ZINC001391099231 976689980 /nfs/dbraw/zinc/68/99/80/976689980.db2.gz QXWAXXWDCDJLAR-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CC[C@@H](C)F ZINC001399826637 976693889 /nfs/dbraw/zinc/69/38/89/976693889.db2.gz MLSBJEGCOICVFT-OLZOCXBDSA-N 2 0 273.396 1.124 10 0 CDAERP C[NH+](C)CCCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCF ZINC001407661348 976727326 /nfs/dbraw/zinc/72/73/26/976727326.db2.gz LWVKAEAOLCXZNE-KBPBESRZSA-N 2 0 285.407 1.363 10 0 CDAERP C[C@@H]1CC[C@@H](C[N@H+](CCNC(=O)CC[NH+](C)C)C2CC2)O1 ZINC001400027734 976813331 /nfs/dbraw/zinc/81/33/31/976813331.db2.gz YWEVLOYHSNLHEL-HIFRSBDPSA-N 2 0 297.443 1.086 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NCC[C@H]2CC[NH+](CC3CCC3)C2)C1 ZINC001400181327 976915979 /nfs/dbraw/zinc/91/59/79/976915979.db2.gz DZZBDMANTXVOBX-HOTGVXAUSA-N 2 0 293.455 1.566 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCF)CC1(C)C ZINC001408141943 976937032 /nfs/dbraw/zinc/93/70/32/976937032.db2.gz KZZLLZJNVHEALQ-CYBMUJFWSA-N 2 0 287.423 1.513 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@H+](C)C/C=C\Cl ZINC001408342771 977017108 /nfs/dbraw/zinc/01/71/08/977017108.db2.gz NVCFTRLDMUDVBI-DMTLFAOVSA-N 2 0 287.835 1.613 10 0 CDAERP CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001391692662 977046935 /nfs/dbraw/zinc/04/69/35/977046935.db2.gz GDNXPIMPRBJHAH-UKRRQHHQSA-N 2 0 281.444 1.898 10 0 CDAERP CC[NH2+]C[C@@]1(NC(=O)C23CC[NH+](CC2)C3)CCCC[C@H]1C ZINC001391804208 977102015 /nfs/dbraw/zinc/10/20/15/977102015.db2.gz FZEAEXDLQUTGNX-PBHICJAKSA-N 2 0 293.455 1.757 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CCF)C(C)(C)C1 ZINC001403827676 977219822 /nfs/dbraw/zinc/21/98/22/977219822.db2.gz OKTMPXYDWYTUJN-ZDUSSCGKSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC[NH+](CCF)CC1 ZINC001403983137 977292849 /nfs/dbraw/zinc/29/28/49/977292849.db2.gz GCIZNTZWFQBJQD-UONOGXRCSA-N 2 0 299.434 1.514 10 0 CDAERP CCC(CC)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001404013940 977305736 /nfs/dbraw/zinc/30/57/36/977305736.db2.gz DZOJJEBOYGOFDT-QQFBHYJXSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)C[N@H+](C)C[C@@H](C)NC(=O)C[C@H](C)n1ccnc1 ZINC001392700163 977556958 /nfs/dbraw/zinc/55/69/58/977556958.db2.gz GVHCTHNYIQVNIK-KGLIPLIRSA-N 2 0 280.416 1.927 10 0 CDAERP C[C@@H](F)CC[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CCC1 ZINC001393565628 977837822 /nfs/dbraw/zinc/83/78/22/977837822.db2.gz HIFOJQXQDIUSOD-ZIAGYGMSSA-N 2 0 299.434 1.705 10 0 CDAERP C[C@@H]([NH2+]CCC(F)(F)F)[C@H](C)NC(=O)CC[NH+](C)C ZINC001393967028 977986697 /nfs/dbraw/zinc/98/66/97/977986697.db2.gz HHIBMYDZMRVZSH-ZJUUUORDSA-N 2 0 283.338 1.373 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1conc1C ZINC001393991550 977999594 /nfs/dbraw/zinc/99/95/94/977999594.db2.gz KCAAGYKKBNCHGJ-VXGBXAGGSA-N 2 0 296.415 1.308 10 0 CDAERP CC[C@H](C)C[NH+]1CC([C@@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001394244419 978115962 /nfs/dbraw/zinc/11/59/62/978115962.db2.gz BOHPLDKFEVRSKJ-UONOGXRCSA-N 2 0 283.460 1.811 10 0 CDAERP CC[C@H](C(=O)NCC1[C@H]2C[N@@H+](C/C=C/Cl)C[C@@H]12)[NH+](C)C ZINC001394323278 978133352 /nfs/dbraw/zinc/13/33/52/978133352.db2.gz PTXJKBUSYILSGM-PVQNAUNOSA-N 2 0 299.846 1.373 10 0 CDAERP CCCC[C@@H](C[NH2+]CCF)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001675219360 1174085753 /nfs/dbraw/zinc/08/57/53/1174085753.db2.gz YFMONMXNGDZVSX-STQMWFEESA-N 2 0 273.396 1.315 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCCF)C1 ZINC001675751991 1174145026 /nfs/dbraw/zinc/14/50/26/1174145026.db2.gz OAVOCLDWLMLKMJ-RBSFLKMASA-N 2 0 299.434 1.705 10 0 CDAERP CCCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001676586442 1174243910 /nfs/dbraw/zinc/24/39/10/1174243910.db2.gz BWVULWXWPKHJDO-LSDHHAIUSA-N 2 0 299.459 1.116 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001570088696 1170075596 /nfs/dbraw/zinc/07/55/96/1170075596.db2.gz GCXYJFBDJCFNQY-RBSFLKMASA-N 2 0 299.434 1.799 10 0 CDAERP CCCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CCO1 ZINC001570144520 1170093772 /nfs/dbraw/zinc/09/37/72/1170093772.db2.gz QPZOSOWXHXYLKC-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCO[C@H](C[NH2+]CC=C(C)C)C1 ZINC001570159904 1170097027 /nfs/dbraw/zinc/09/70/27/1170097027.db2.gz MAJFCVFAYGSMTC-OAHLLOKOSA-N 2 0 297.443 1.111 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)C1CCC([NH2+]CCCO)CC1 ZINC001570666084 1170226647 /nfs/dbraw/zinc/22/66/47/1170226647.db2.gz NUJHTOLVRRTNBJ-UHFFFAOYSA-N 2 0 299.459 1.070 10 0 CDAERP CCCC[NH2+][C@H](C)[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001571002806 1170329060 /nfs/dbraw/zinc/32/90/60/1170329060.db2.gz UKEXAWSGNIRFHU-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCCNC(=O)N[C@H]1CCC[NH+](C)C1 ZINC000618547992 349479651 /nfs/dbraw/zinc/47/96/51/349479651.db2.gz GIDTYNMVUDVYJC-GJZGRUSLSA-N 2 0 296.459 1.644 10 0 CDAERP COc1cccc(C[NH2+]CCC2(C[NH3+])CC2)c1OC ZINC000650712201 398154859 /nfs/dbraw/zinc/15/48/59/398154859.db2.gz WEDSJMLSTUXMLM-UHFFFAOYSA-N 2 0 264.369 1.922 10 0 CDAERP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCC1(C[NH3+])CC1 ZINC000650747909 398174132 /nfs/dbraw/zinc/17/41/32/398174132.db2.gz KDWYGXMQGNRUOW-ZFWWWQNUSA-N 3 0 261.413 1.664 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000232801272 342033693 /nfs/dbraw/zinc/03/36/93/342033693.db2.gz RGXDBKNJHNVTJY-ZIAGYGMSSA-N 2 0 279.428 1.461 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)c1c[nH+]ccc1N ZINC000127477388 342067862 /nfs/dbraw/zinc/06/78/62/342067862.db2.gz WKWQMKJSXUYYKX-UHFFFAOYSA-N 2 0 250.346 1.078 10 0 CDAERP C[NH+](C)[C@@H]1CCC[N@H+](CCOC2CCOCC2)CC1 ZINC000625371352 342093687 /nfs/dbraw/zinc/09/36/87/342093687.db2.gz MCLGIWXCQJJLKL-CQSZACIVSA-N 2 0 270.417 1.598 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC000618904152 349549932 /nfs/dbraw/zinc/54/99/32/349549932.db2.gz RGUBMPQBJVSWGI-KBPBESRZSA-N 2 0 282.432 1.112 10 0 CDAERP CC(C)(C)NC(=O)C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000591867261 342650721 /nfs/dbraw/zinc/65/07/21/342650721.db2.gz NMMQDXZVFXRWJS-LBPRGKRZSA-N 2 0 264.373 1.435 10 0 CDAERP C[NH+](C)CCc1noc(CCC2CC[NH2+]CC2)n1 ZINC000096883633 185119128 /nfs/dbraw/zinc/11/91/28/185119128.db2.gz KDUGAXOMGMRPKL-UHFFFAOYSA-N 2 0 252.362 1.106 10 0 CDAERP CCOC(=O)COCC[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000351711298 361884294 /nfs/dbraw/zinc/88/42/94/361884294.db2.gz HELUGJZWFPIMNK-UONOGXRCSA-N 2 0 286.416 1.228 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000629400334 361938018 /nfs/dbraw/zinc/93/80/18/361938018.db2.gz UPLYDLLHVDRGDB-UHFFFAOYSA-N 2 0 292.301 1.882 10 0 CDAERP C[NH2+]CCOCC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000629406792 361944350 /nfs/dbraw/zinc/94/43/50/361944350.db2.gz YMKONFOSRSWXCY-DOTOQJQBSA-N 3 0 297.487 1.855 10 0 CDAERP C[NH+](C)Cc1cc(CNC(=O)NC/C=C/C[NH3+])ccc1F ZINC000669485076 539060492 /nfs/dbraw/zinc/06/04/92/539060492.db2.gz BJYLCURDKWKMEK-ONEGZZNKSA-N 2 0 294.374 1.201 10 0 CDAERP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)C2CC[NH+](C)CC2)C1 ZINC000252438493 539078068 /nfs/dbraw/zinc/07/80/68/539078068.db2.gz CFARUJFTDLAAPY-ZIAGYGMSSA-N 3 0 253.434 1.648 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C1CCC(C(=O)OC)CC1 ZINC000600778349 342248748 /nfs/dbraw/zinc/24/87/48/342248748.db2.gz YSGZCWATHNOVIH-IFWUJCSASA-N 2 0 254.374 1.448 10 0 CDAERP COC(=O)c1cc(C[NH2+]CCn2ccnc2C)c(C)o1 ZINC000594617721 342928243 /nfs/dbraw/zinc/92/82/43/342928243.db2.gz XTZIBCNSRFLPNC-UHFFFAOYSA-N 2 0 277.324 1.669 10 0 CDAERP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)[C@@H]1CCCCO1 ZINC000623853986 342261643 /nfs/dbraw/zinc/26/16/43/342261643.db2.gz NXXDTYIMJVSILE-CABCVRRESA-N 2 0 269.433 1.171 10 0 CDAERP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000594945045 342980238 /nfs/dbraw/zinc/98/02/38/342980238.db2.gz LRGSMEMUITVUMK-MELADBBJSA-N 2 0 282.428 1.896 10 0 CDAERP C[NH+](C)C[C@@H](NC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC000173722558 365737728 /nfs/dbraw/zinc/73/77/28/365737728.db2.gz TZEYJSUGASBHQG-MRXNPFEDSA-N 2 0 289.423 1.747 10 0 CDAERP CCO[C@H](C[NH+]1CCC(OCCC[NH3+])CC1)C1CC1 ZINC000629514331 362129201 /nfs/dbraw/zinc/12/92/01/362129201.db2.gz QNVVLVYKUIMMMP-OAHLLOKOSA-N 2 0 270.417 1.631 10 0 CDAERP COC(=O)C12CC(C1)C[N@@H+]2CCC1CC[NH2+]CC1 ZINC000595901880 343187182 /nfs/dbraw/zinc/18/71/82/343187182.db2.gz BNAPRNFIJRBXPB-UHFFFAOYSA-N 2 0 252.358 1.014 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000629529151 362154700 /nfs/dbraw/zinc/15/47/00/362154700.db2.gz SQVCBLJENDYQKF-NSHDSACASA-N 2 0 270.348 1.721 10 0 CDAERP CC(C)[C@@H](NC[C@H](O)C[NH+]1CCCC1)c1cccnc1 ZINC000091306346 342402840 /nfs/dbraw/zinc/40/28/40/342402840.db2.gz JNSFSBSLANUJHD-JKSUJKDBSA-N 2 0 277.412 1.825 10 0 CDAERP CCOC(=O)C1([C@@H](C)[NH2+][C@H](CO)C2CCC2)CC[NH2+]CC1 ZINC000596652987 343371583 /nfs/dbraw/zinc/37/15/83/343371583.db2.gz XVASMHZGJKABND-TZMCWYRMSA-N 2 0 298.427 1.058 10 0 CDAERP C[C@@H]1C[C@@H](Nc2nc(N)[nH+]c3c2CCCC3)CC[N@@H+]1C ZINC000645180514 362225944 /nfs/dbraw/zinc/22/59/44/362225944.db2.gz CZAKTLNRVKGGJD-MNOVXSKESA-N 2 0 275.400 1.084 10 0 CDAERP C[NH2+][C@H](C)C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000054071603 343704658 /nfs/dbraw/zinc/70/46/58/343704658.db2.gz BRJSTSMGUUZPGK-CYBMUJFWSA-N 2 0 263.385 1.233 10 0 CDAERP C(CN1CC[C@@]2(C1)CCC[NH2+]C2)C[NH+]1CCCCC1 ZINC000257693403 344370960 /nfs/dbraw/zinc/37/09/60/344370960.db2.gz OCSLLEGPGUZBCJ-INIZCTEOSA-N 3 0 265.445 1.938 10 0 CDAERP CC[NH+](CC)CCSCc1ccc[nH+]c1NN ZINC000084060440 178781267 /nfs/dbraw/zinc/78/12/67/178781267.db2.gz WPNWFNDUXGIYBC-UHFFFAOYSA-N 2 0 254.403 1.942 10 0 CDAERP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)N[C@H]1CCC[NH+](C)C1 ZINC000608648259 345805415 /nfs/dbraw/zinc/80/54/15/345805415.db2.gz QFWXQOAVMAAYRY-LSDHHAIUSA-N 2 0 296.459 1.596 10 0 CDAERP C[C@H](Cn1ccnc1)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623356512 346084126 /nfs/dbraw/zinc/08/41/26/346084126.db2.gz VABDFNNTSHFKDY-CHWSQXEVSA-N 2 0 250.390 1.734 10 0 CDAERP C[N@@H+]1CC[C@H](NC[C@@H]2CC[NH+](C3CC3)C2)CC1(C)C ZINC000623356524 346084189 /nfs/dbraw/zinc/08/41/89/346084189.db2.gz VKVOAUVCSYWJQC-KBPBESRZSA-N 2 0 265.445 1.933 10 0 CDAERP C[C@H](C[C@](C)(O)C[NH3+])[N@H+](C)CCc1ccncc1 ZINC000085300447 179009784 /nfs/dbraw/zinc/00/97/84/179009784.db2.gz VYPJWQWTRZKBCL-OCCSQVGLSA-N 2 0 251.374 1.044 10 0 CDAERP CN(C)c1cc[nH+]cc1NC(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000085360378 179032561 /nfs/dbraw/zinc/03/25/61/179032561.db2.gz GVMGTVVXALHPEP-GHMZBOCLSA-N 2 0 262.357 1.604 10 0 CDAERP COc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085361229 179033083 /nfs/dbraw/zinc/03/30/83/179033083.db2.gz YXEALVYHOPXHJJ-OLZOCXBDSA-N 2 0 291.395 1.823 10 0 CDAERP COc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000085361234 179033116 /nfs/dbraw/zinc/03/31/16/179033116.db2.gz YXEALVYHOPXHJJ-CHWSQXEVSA-N 2 0 291.395 1.823 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085369395 179039260 /nfs/dbraw/zinc/03/92/60/179039260.db2.gz JOVFUYHBLWYOPY-STQMWFEESA-N 2 0 255.406 1.160 10 0 CDAERP CC(C)C[C@@H](CNC(=O)[C@H]1CCC[C@@H]1[NH3+])[NH+](C)C ZINC000085371131 179041220 /nfs/dbraw/zinc/04/12/20/179041220.db2.gz OWZKRIBWKPFMSH-AVGNSLFASA-N 2 0 255.406 1.206 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)NC[C@H]([NH3+])C1CC1 ZINC000571560858 362682572 /nfs/dbraw/zinc/68/25/72/362682572.db2.gz QLCDGAWBLGSMPH-STQMWFEESA-N 2 0 253.390 1.104 10 0 CDAERP CN(C(=O)C[N@@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1)C1CC1 ZINC000085403767 179052847 /nfs/dbraw/zinc/05/28/47/179052847.db2.gz PWZAXWIWBOPZIJ-MRXNPFEDSA-N 2 0 293.455 1.851 10 0 CDAERP CCCc1nc2c(n1C[C@H]1CCC[N@H+](C)C1)CC[NH2+]C2 ZINC000085572772 179097865 /nfs/dbraw/zinc/09/78/65/179097865.db2.gz QSYQLTGRLHXIDN-ZDUSSCGKSA-N 2 0 276.428 1.823 10 0 CDAERP CCc1nc2c(n1[C@@H](C)C[NH+](CC)CC)CC[NH2+]C2 ZINC000085573181 179098543 /nfs/dbraw/zinc/09/85/43/179098543.db2.gz MSGJMQCARIMSQV-LBPRGKRZSA-N 2 0 264.417 1.994 10 0 CDAERP COCC(COC)[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000449545504 362753877 /nfs/dbraw/zinc/75/38/77/362753877.db2.gz SXNHHMKPTOWMSV-UHFFFAOYSA-N 2 0 290.367 1.327 10 0 CDAERP C[C@@H](NCCN[C@@H](C)[C@H]1CCCC[NH2+]1)[C@@H]1CCCC[NH2+]1 ZINC000584614449 346500090 /nfs/dbraw/zinc/50/00/90/346500090.db2.gz MRBNUDJZFRQZGS-SYMSYNOKSA-N 2 0 282.476 1.227 10 0 CDAERP C[NH+]1CCN(CCC[NH2+][C@H]2[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000085671226 179111511 /nfs/dbraw/zinc/11/15/11/179111511.db2.gz GTXMNSCFGFBGDN-JYJNAYRXSA-N 2 0 295.471 1.417 10 0 CDAERP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C)C(C)(C)C2)CC[N@@H+]1C ZINC000623430425 346616539 /nfs/dbraw/zinc/61/65/39/346616539.db2.gz PFACQYDJTZDPME-MGPQQGTHSA-N 2 0 253.434 1.932 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000336038225 362836270 /nfs/dbraw/zinc/83/62/70/362836270.db2.gz WPXUQXUASGXQSH-DOTOQJQBSA-N 2 0 293.455 1.805 10 0 CDAERP CC[C@@H](C)[NH+]1CCN([C@@](CC)(C[NH3+])C2CC2)CC1 ZINC000086120659 179234905 /nfs/dbraw/zinc/23/49/05/179234905.db2.gz XBVZNPMKIQVRCM-HIFRSBDPSA-N 2 0 253.434 1.920 10 0 CDAERP CC[C@@H]1C[NH2+][C@@H](C2CC2)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223124 179251839 /nfs/dbraw/zinc/25/18/39/179251839.db2.gz SEXBZLYCUMSFPK-BPLDGKMQSA-N 2 0 251.418 1.401 10 0 CDAERP CCC[NH+]1CCC(N2C[C@@H](CC)[NH2+]C[C@@H]2C)CC1 ZINC000086227291 179254287 /nfs/dbraw/zinc/25/42/87/179254287.db2.gz VMYDXHXROQOPKM-UONOGXRCSA-N 2 0 253.434 1.933 10 0 CDAERP C[N@@H+]1CC[C@H](NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1(C)C ZINC000623572946 347640182 /nfs/dbraw/zinc/64/01/82/347640182.db2.gz RVOXCRRJQRFLBR-JKSUJKDBSA-N 2 0 295.471 1.702 10 0 CDAERP CN(Cc1ccccc1)[C@@H]1CC2(CC[C@H]1[NH3+])OCCO2 ZINC000250229847 365956721 /nfs/dbraw/zinc/95/67/21/365956721.db2.gz LTQKNQFKEBJKRK-HUUCEWRRSA-N 2 0 276.380 1.741 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)C[NH+]1CCC(C)CC1 ZINC000620623136 350292596 /nfs/dbraw/zinc/29/25/96/350292596.db2.gz JHQLPEXDYNCFNO-UHFFFAOYSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000112554904 350578864 /nfs/dbraw/zinc/57/88/64/350578864.db2.gz QYBJTFRMIOCXAB-HUUCEWRRSA-N 2 0 296.459 1.500 10 0 CDAERP CC(C)C[C@@H]([NH3+])CN1CC[NH+](CC2CCOCC2)CC1 ZINC000414696405 365981520 /nfs/dbraw/zinc/98/15/20/365981520.db2.gz PHBRINIZZHUDAX-MRXNPFEDSA-N 2 0 283.460 1.404 10 0 CDAERP O=C(CC[C@@H]1CCC[NH2+]C1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000621653470 350691189 /nfs/dbraw/zinc/69/11/89/350691189.db2.gz ZHSLELTXCTYBKO-JSGCOSHPSA-N 2 0 265.401 1.119 10 0 CDAERP COc1ccc([C@@H](N[C@@H]2CC[NH2+][C@H]2C)[C@H]2CCC[NH2+]2)cc1 ZINC000629548361 362976492 /nfs/dbraw/zinc/97/64/92/362976492.db2.gz ZBGAHOYAOHSGFM-WBQNTZJQSA-N 2 0 289.423 1.828 10 0 CDAERP CN(CCC[NH+](C)C)[C@H](C[NH3+])c1cccc(F)c1 ZINC000111130786 186356315 /nfs/dbraw/zinc/35/63/15/186356315.db2.gz STJOGYUQSBXVOY-CQSZACIVSA-N 2 0 253.365 1.709 10 0 CDAERP CO[C@@H]1CC[C@@H]2OCC[N@H+](C[C@@H]3CC[NH2+][C@H](C)C3)[C@H]2C1 ZINC000414711417 366013655 /nfs/dbraw/zinc/01/36/55/366013655.db2.gz RJVYARWLRMXPFP-SUJAAXHWSA-N 2 0 282.428 1.643 10 0 CDAERP C[NH+](C)C1CC(NC(=O)C2C[NH+](C3CCCCC3)C2)C1 ZINC000622007644 350931186 /nfs/dbraw/zinc/93/11/86/350931186.db2.gz HEMONYXYOXXTPN-UHFFFAOYSA-N 2 0 279.428 1.460 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC000629556189 362992554 /nfs/dbraw/zinc/99/25/54/362992554.db2.gz NBSBBLKLLNWMRF-AAEUAGOBSA-N 2 0 253.390 1.247 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)CCO[C@@H]1CCCC[C@@H]1C ZINC000629571264 363020194 /nfs/dbraw/zinc/02/01/94/363020194.db2.gz KBVDHIHFJNDPPZ-LSDHHAIUSA-N 2 0 272.433 1.750 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000629572560 363027145 /nfs/dbraw/zinc/02/71/45/363027145.db2.gz XDHIGKHGIPKZBW-UHFFFAOYSA-N 3 0 277.412 1.000 10 0 CDAERP C[C@@H]1C[C@@H](C[NH2+]C[C@@H](O)C[NH+]2CCCC2)C[C@H](C)O1 ZINC000629579004 363030028 /nfs/dbraw/zinc/03/00/28/363030028.db2.gz YMKWWJVPMBLHRR-LXTVHRRPSA-N 2 0 270.417 1.236 10 0 CDAERP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418444668 535210673 /nfs/dbraw/zinc/21/06/73/535210673.db2.gz GQNMRBBOBAWLIM-LSDHHAIUSA-N 2 0 292.427 1.701 10 0 CDAERP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](COC)CC1 ZINC000569938283 363227106 /nfs/dbraw/zinc/22/71/06/363227106.db2.gz VTJXXCWNKANSOK-KBPBESRZSA-N 2 0 258.406 1.048 10 0 CDAERP Cn1ccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)c1 ZINC000629647819 363247415 /nfs/dbraw/zinc/24/74/15/363247415.db2.gz BDCIQBYTOAYWEB-UHFFFAOYSA-N 2 0 276.428 1.331 10 0 CDAERP C[N@@H+]1CC[C@H](NCCC[NH+]2CCC(O)CC2)[C@@H]2CCC[C@H]21 ZINC000353506405 283135156 /nfs/dbraw/zinc/13/51/56/283135156.db2.gz YAVJGRITQCHWAB-YESZJQIVSA-N 2 0 295.471 1.296 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N1C[C@H]2CCC[NH+]2C[C@H]1C ZINC000245427821 283170645 /nfs/dbraw/zinc/17/06/45/283170645.db2.gz IBPWGUQMIZIPCM-HUUCEWRRSA-N 2 0 296.459 1.596 10 0 CDAERP C[C@@H]1CN(Cc2ccc3c(c2)C[NH2+]CC3)C[C@@H]1[NH+](C)C ZINC000211974203 356581656 /nfs/dbraw/zinc/58/16/56/356581656.db2.gz OOTHDQHWDMENOY-DYVFJYSZSA-N 2 0 273.424 1.714 10 0 CDAERP C[C@@](O)(C[C@H](O)C[NH2+]CCC[NH+]1CCCCC1)C1CC1 ZINC000634638687 356617117 /nfs/dbraw/zinc/61/71/17/356617117.db2.gz SRFSODFFVHFIEZ-JKSUJKDBSA-N 2 0 284.444 1.364 10 0 CDAERP C[C@](O)(C[C@H](O)C[NH2+]CCC[NH+]1CCCCC1)C1CC1 ZINC000634638685 356617498 /nfs/dbraw/zinc/61/74/98/356617498.db2.gz SRFSODFFVHFIEZ-HOTGVXAUSA-N 2 0 284.444 1.364 10 0 CDAERP CCOC[C@H](O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000069277307 356816887 /nfs/dbraw/zinc/81/68/87/356816887.db2.gz JHSCTQCCHODRJH-OAHLLOKOSA-N 2 0 270.417 1.192 10 0 CDAERP CC(C)[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000070576105 356899360 /nfs/dbraw/zinc/89/93/60/356899360.db2.gz VIIDVAISJCUZOM-KGLIPLIRSA-N 2 0 281.444 1.835 10 0 CDAERP Cc1cc(NC[C@H]2CCCC[N@@H+]2CCO)nc(C2CC2)n1 ZINC000572692308 357108929 /nfs/dbraw/zinc/10/89/29/357108929.db2.gz IROGOFSKFIEWBS-CQSZACIVSA-N 2 0 290.411 1.343 10 0 CDAERP C[C@H]1CCC[C@@H](C[N@H+](C)CC(=O)N2CC[NH2+]CC2)C1 ZINC000089611169 357502693 /nfs/dbraw/zinc/50/26/93/357502693.db2.gz KKZCMJDMKNTMOU-UONOGXRCSA-N 2 0 267.417 1.176 10 0 CDAERP C[NH+](C)Cc1csc([C@H]2[NH2+]CCc3nc[nH]c32)c1 ZINC000065370619 357532375 /nfs/dbraw/zinc/53/23/75/357532375.db2.gz LYQROINVBVGBLT-CYBMUJFWSA-N 2 0 262.382 1.768 10 0 CDAERP Cc1cc(NCC[N@H+]2CCC[C@@H](C)C2)nc(N(C)C)[nH+]1 ZINC000065394826 357535703 /nfs/dbraw/zinc/53/57/03/357535703.db2.gz OZMQUEHKMVWMGY-GFCCVEGCSA-N 2 0 277.416 1.995 10 0 CDAERP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Cn1ccnc1 ZINC000558643828 357846443 /nfs/dbraw/zinc/84/64/43/357846443.db2.gz AYYGWSIAOIRJQW-QWHCGFSZSA-N 2 0 264.373 1.120 10 0 CDAERP C[NH+](C)CC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC000616569918 358610686 /nfs/dbraw/zinc/61/06/86/358610686.db2.gz KZHNDVXOGQASIN-UONOGXRCSA-N 2 0 279.359 1.031 10 0 CDAERP C[NH2+][C@H](CCO)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000095075719 358674537 /nfs/dbraw/zinc/67/45/37/358674537.db2.gz CMTQNZRTRYGQKQ-JKSUJKDBSA-N 2 0 262.397 1.869 10 0 CDAERP C[NH2+][C@H](C)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000054071518 358699093 /nfs/dbraw/zinc/69/90/93/358699093.db2.gz ZBBIBDSSVIZYPY-RISCZKNCSA-N 2 0 279.384 1.022 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC000345760069 358901063 /nfs/dbraw/zinc/90/10/63/358901063.db2.gz MKPUCVMWYUKZKB-RBSFLKMASA-N 2 0 298.475 1.841 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC[NH2+]1 ZINC000262341478 359162998 /nfs/dbraw/zinc/16/29/98/359162998.db2.gz GYSJKDMXSYLTQZ-KKUMJFAQSA-N 2 0 279.428 1.319 10 0 CDAERP CC[C@H]1CCCCN1C(=O)CN1CCC([NH2+]C)CC1 ZINC000261607323 359295588 /nfs/dbraw/zinc/29/55/88/359295588.db2.gz RSDISZIDTZWHPS-AWEZNQCLSA-N 2 0 267.417 1.461 10 0 CDAERP C[C@H]1CC2(C[N@@H+]1CCN1CCCC1=O)CC[NH2+]CC2 ZINC000335279481 359355445 /nfs/dbraw/zinc/35/54/45/359355445.db2.gz OTXBSBKXURDSGU-ZDUSSCGKSA-N 2 0 265.401 1.073 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000365428458 359428296 /nfs/dbraw/zinc/42/82/96/359428296.db2.gz NBJSXNNJCJLVIT-WLYUNCDWSA-N 2 0 296.459 1.643 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(OC)c(F)c1 ZINC000422925585 359678705 /nfs/dbraw/zinc/67/87/05/359678705.db2.gz BDXFHSGURJIAPA-LBPRGKRZSA-N 2 0 270.348 1.678 10 0 CDAERP CC[C@H](CN[C@H](C1CC1)[C@H]1C[NH2+]CCO1)[NH+]1CCCC1 ZINC000422968338 359727020 /nfs/dbraw/zinc/72/70/20/359727020.db2.gz WJIZUZODSQWAGU-BZUAXINKSA-N 2 0 281.444 1.217 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CN[C@@H](C)c2c[nH+]ccc2N)C1 ZINC000422972626 359729300 /nfs/dbraw/zinc/72/93/00/359729300.db2.gz MJFDBMCDKPTYMR-STQMWFEESA-N 2 0 262.401 1.877 10 0 CDAERP COc1cccc(CC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])n1 ZINC000423004998 359734994 /nfs/dbraw/zinc/73/49/94/359734994.db2.gz LJMDGVOCMUKONT-GXTWGEPZSA-N 2 0 263.385 1.740 10 0 CDAERP CC[NH+]1CCN([C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000118834392 359816457 /nfs/dbraw/zinc/81/64/57/359816457.db2.gz FNUIKPUMFZWUSC-GOSISDBHSA-N 2 0 287.451 1.941 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cn2cccnc2n1 ZINC000297693544 200261866 /nfs/dbraw/zinc/26/18/66/200261866.db2.gz QAQHUQMFVRDRBB-CQSZACIVSA-N 2 0 291.399 1.176 10 0 CDAERP CN1CC[NH+](CCCC[NH2+]C[C@@]2(C)CCCS2)CC1 ZINC000628202390 360240994 /nfs/dbraw/zinc/24/09/94/360240994.db2.gz RINSTQCMKKYODN-OAHLLOKOSA-N 2 0 285.501 1.889 10 0 CDAERP CC(C)[NH+]1CCC([NH2+]C[C@H](CO)c2cccnc2)CC1 ZINC000348684923 360496224 /nfs/dbraw/zinc/49/62/24/360496224.db2.gz PXNYMRDNGAKWDO-OAHLLOKOSA-N 2 0 277.412 1.620 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)c2cccnc2)CC[N@@H+]1C ZINC000348690898 360544528 /nfs/dbraw/zinc/54/45/28/360544528.db2.gz YWBAKZUOOXSCEJ-VHDGCEQUSA-N 2 0 263.385 1.230 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000516330793 360594566 /nfs/dbraw/zinc/59/45/66/360594566.db2.gz LJGWQYVCHMAVAE-STQMWFEESA-N 2 0 290.411 1.648 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000626934847 360654521 /nfs/dbraw/zinc/65/45/21/360654521.db2.gz OYFKWWYNOMSYCI-DZGCQCFKSA-N 2 0 296.459 1.691 10 0 CDAERP CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccncc2C)C1 ZINC000348842751 360633603 /nfs/dbraw/zinc/63/36/03/360633603.db2.gz AYFBOJASOZBNAH-LBPRGKRZSA-N 2 0 262.357 1.275 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)C1CC1 ZINC000261636130 360640736 /nfs/dbraw/zinc/64/07/36/360640736.db2.gz HKYUFNATVRGZMG-CFVMTHIKSA-N 2 0 279.428 1.508 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000626938811 360665707 /nfs/dbraw/zinc/66/57/07/360665707.db2.gz WWEHTSVNSSCVAI-RFQIPJPRSA-N 2 0 280.416 1.053 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C[N@@H+]1C1CC1 ZINC000246272675 360827491 /nfs/dbraw/zinc/82/74/91/360827491.db2.gz LXPBXTFRBORCCQ-GADBESIXSA-N 2 0 291.439 1.649 10 0 CDAERP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1cccc(-n2cnnn2)c1 ZINC000643524787 361070072 /nfs/dbraw/zinc/07/00/72/361070072.db2.gz HXUADJCJEKEYRL-SLEUVZQESA-N 2 0 286.383 1.311 10 0 CDAERP C[C@@H](CC(=O)N1[C@H](C)C[NH+](C)C[C@H]1C)n1ccnc1 ZINC000566304496 370679502 /nfs/dbraw/zinc/67/95/02/370679502.db2.gz JZXPGQHXIIMATK-YNEHKIRRSA-N 2 0 264.373 1.385 10 0 CDAERP [NH3+]C[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000568608515 294066236 /nfs/dbraw/zinc/06/62/36/294066236.db2.gz CEGWEOFGELZFDE-FQUUOJAGSA-N 2 0 265.401 1.104 10 0 CDAERP COCC[NH2+]C1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000574921834 364180796 /nfs/dbraw/zinc/18/07/96/364180796.db2.gz REGRZVMGWMDLCE-UHFFFAOYSA-N 3 0 269.433 1.077 10 0 CDAERP CCN(CCO)CC[NH2+]C[C@@H]1CC(C)=C[C@@H](C)C1 ZINC000352909121 364632503 /nfs/dbraw/zinc/63/25/03/364632503.db2.gz YGNAUQGYDFFXCB-HIFRSBDPSA-N 2 0 254.418 1.883 10 0 CDAERP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@H](C)COC)CC1 ZINC000187856885 364842119 /nfs/dbraw/zinc/84/21/19/364842119.db2.gz CFLXUQARZJPTBW-CABCVRRESA-N 2 0 271.449 1.132 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCC[NH2+]CC2)[C@@H](C)C1 ZINC000641023545 364843921 /nfs/dbraw/zinc/84/39/21/364843921.db2.gz FTFZWVPXOCOGGW-KKUMJFAQSA-N 2 0 296.459 1.500 10 0 CDAERP C[C@@H](NC(=O)NCCC[NH3+])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417993784 296079480 /nfs/dbraw/zinc/07/94/80/296079480.db2.gz OKTWVNVKVNGIJY-OLZOCXBDSA-N 2 0 282.432 1.287 10 0 CDAERP COCC[C@H](COC)[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000353650512 365357829 /nfs/dbraw/zinc/35/78/29/365357829.db2.gz RCWONYQXNULUSN-YRGRVCCFSA-N 2 0 256.390 1.110 10 0 CDAERP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)[C@H]1C[C@H]1C ZINC000414125697 241077530 /nfs/dbraw/zinc/07/75/30/241077530.db2.gz QINYQXAQPUMAAX-MQYQWHSLSA-N 2 0 267.417 1.208 10 0 CDAERP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)[C@H]1C[C@H]1C ZINC000414063228 241051762 /nfs/dbraw/zinc/05/17/62/241051762.db2.gz DKVQTYZHEKECQO-FMKPAKJESA-N 2 0 288.439 1.968 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNCc1cnc(N(C)C)n1C ZINC000414329455 241156045 /nfs/dbraw/zinc/15/60/45/241156045.db2.gz DCUOGNFYSHTRPL-ZIAGYGMSSA-N 2 0 293.459 1.839 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000357766720 367193703 /nfs/dbraw/zinc/19/37/03/367193703.db2.gz VASJADKBWILRRZ-NEPJUHHUSA-N 2 0 293.415 1.297 10 0 CDAERP [NH3+]CC1(O)CC[NH+](Cc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000415146623 241596940 /nfs/dbraw/zinc/59/69/40/241596940.db2.gz YVIBWOZBDYSIGP-UHFFFAOYSA-N 2 0 286.379 1.362 10 0 CDAERP C[C@@H](NC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)C(C)(C)C[NH+](C)C ZINC000626996856 367217853 /nfs/dbraw/zinc/21/78/53/367217853.db2.gz HAFASMNBBMRZPR-JHJVBQTASA-N 2 0 284.448 1.402 10 0 CDAERP CC1=CC[N@H+](CCNC(=O)N[C@@H]2CC[NH+](C3CC3)C2)CC1 ZINC000358185747 367498816 /nfs/dbraw/zinc/49/88/16/367498816.db2.gz HZNVVCIHHRHTGU-CQSZACIVSA-N 2 0 292.427 1.174 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627109386 367457969 /nfs/dbraw/zinc/45/79/69/367457969.db2.gz VVCJYTUBSMUGQK-ZIAGYGMSSA-N 2 0 284.448 1.404 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH2+]CC2(CCO)CCC2)[C@H](C)C1 ZINC000358290920 367576751 /nfs/dbraw/zinc/57/67/51/367576751.db2.gz FCOGXSJOFMEQJK-ZIAGYGMSSA-N 2 0 254.418 1.859 10 0 CDAERP CCCN(C(=O)N[C@@H]1CC[NH2+][C@H]1CC)C1CC[NH2+]CC1 ZINC000627158694 367587273 /nfs/dbraw/zinc/58/72/73/367587273.db2.gz BJYDRMQDSVOBRR-UONOGXRCSA-N 2 0 282.432 1.301 10 0 CDAERP C[C@@H](CNC(=O)NCC[C@H]1CCC[NH2+]C1)C[NH+]1CCCC1 ZINC000417157303 242340214 /nfs/dbraw/zinc/34/02/14/242340214.db2.gz MZYBHWRAKIEQMN-LSDHHAIUSA-N 2 0 296.459 1.407 10 0 CDAERP C[C@@H](NC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)[C@H](C)[NH3+] ZINC000417178534 242347135 /nfs/dbraw/zinc/34/71/35/242347135.db2.gz DVUPSDPLXHDVBH-GZBFAFLISA-N 2 0 292.427 1.194 10 0 CDAERP C[C@H]1CC[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[NH2+]1 ZINC000627206439 367700915 /nfs/dbraw/zinc/70/09/15/367700915.db2.gz FWIYHULWYKPUHN-DRWKLNATSA-N 2 0 294.443 1.394 10 0 CDAERP CCCN(C(=O)N[C@H]1CC[C@H](C)[NH2+]C1)C1CC[NH2+]CC1 ZINC000627205829 367702668 /nfs/dbraw/zinc/70/26/68/367702668.db2.gz DWIPJRLLVDRJII-STQMWFEESA-N 2 0 282.432 1.301 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000627201050 367694048 /nfs/dbraw/zinc/69/40/48/367694048.db2.gz VZKRQPZOKNNRNZ-KKUMJFAQSA-N 2 0 296.459 1.500 10 0 CDAERP CCC[NH+]1CCC(NC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000417753743 242644439 /nfs/dbraw/zinc/64/44/39/242644439.db2.gz UPTSBAYGHSWIKZ-TZMCWYRMSA-N 2 0 282.432 1.158 10 0 CDAERP CN(C(=O)N[C@H]1CC[NH+](C2CC2)C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000359389880 367944305 /nfs/dbraw/zinc/94/43/05/367944305.db2.gz MJUKAIBFEYCKOL-WFASDCNBSA-N 2 0 292.427 1.101 10 0 CDAERP CC[NH2+][C@H](C)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000638066820 367977465 /nfs/dbraw/zinc/97/74/65/367977465.db2.gz NHYFESZSPFJCMP-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@@H](CNC(=O)CCC1C[NH2+]C1)C[NH+]1CCCCC1 ZINC000638076993 368087901 /nfs/dbraw/zinc/08/79/01/368087901.db2.gz OCYULCUQGDYCPL-ZDUSSCGKSA-N 2 0 267.417 1.224 10 0 CDAERP Cc1cnccc1NC(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638098843 368335153 /nfs/dbraw/zinc/33/51/53/368335153.db2.gz PRMCSQQRWLIDGA-OAHLLOKOSA-N 2 0 298.390 1.210 10 0 CDAERP C[C@H]1CCCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000360599952 368382958 /nfs/dbraw/zinc/38/29/58/368382958.db2.gz SSYORMQQKLZDPA-AWEZNQCLSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccco1)[C@H](C)[NH3+] ZINC000418726068 243379057 /nfs/dbraw/zinc/37/90/57/243379057.db2.gz OIEAKRGGPWXTMJ-NWDGAFQWSA-N 2 0 282.388 1.089 10 0 CDAERP CC[NH+]1CCC(NCCC[NH2+]Cc2cccnc2)CC1 ZINC000414879012 368644762 /nfs/dbraw/zinc/64/47/62/368644762.db2.gz OHMKFLNRGNWHBR-UHFFFAOYSA-N 2 0 276.428 1.635 10 0 CDAERP O=c1[n-]nc(C2CCN(CCC[NH+]3CCCCC3)CC2)o1 ZINC000340213583 368657560 /nfs/dbraw/zinc/65/75/60/368657560.db2.gz JBCJMWOUAWEQGE-UHFFFAOYSA-N 2 0 294.399 1.831 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+]2CCCCC2)CC[N@@H+]1C ZINC000630556087 369237593 /nfs/dbraw/zinc/23/75/93/369237593.db2.gz PFKZRCFXVPLSAS-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP [NH3+][C@@H](c1cn(C[C@H]2CCC[NH2+]2)nn1)c1ccc(Cl)cc1 ZINC000630606127 369388434 /nfs/dbraw/zinc/38/84/34/369388434.db2.gz UDDQUGWUGKPGDL-TZMCWYRMSA-N 2 0 291.786 1.732 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638401158 369752316 /nfs/dbraw/zinc/75/23/16/369752316.db2.gz POMPUKSNUIDBML-AAEUAGOBSA-N 2 0 265.401 1.271 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH+]2CCC[C@@H](C)C2)CC[N@@H+]1C ZINC000630812529 370034298 /nfs/dbraw/zinc/03/42/98/370034298.db2.gz YGZARLBYJUAZBU-LVQVYYBASA-N 2 0 295.471 1.953 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000246679374 370087504 /nfs/dbraw/zinc/08/75/04/370087504.db2.gz QVOYYYMSJUBDEI-VNQPRFMTSA-N 2 0 289.423 1.923 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC[N@@H+]1C ZINC000630859300 370094200 /nfs/dbraw/zinc/09/42/00/370094200.db2.gz CPYXFFMZVOQRHV-OWCLPIDISA-N 2 0 293.455 1.804 10 0 CDAERP COC[C@H](C)C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000249892660 370187536 /nfs/dbraw/zinc/18/75/36/370187536.db2.gz QZWRXNKKKCWFBX-VNQPRFMTSA-N 2 0 284.444 1.626 10 0 CDAERP CCCC[C@@H](C[NH3+])NC(=O)c1ccccc1CC[NH3+] ZINC000564806813 370264828 /nfs/dbraw/zinc/26/48/28/370264828.db2.gz DAKYPBPASWAPKW-ZDUSSCGKSA-N 2 0 263.385 1.435 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000418197338 370279773 /nfs/dbraw/zinc/27/97/73/370279773.db2.gz JEXOSUAQPSXPJS-MCIONIFRSA-N 2 0 284.448 1.404 10 0 CDAERP CN1CCO[C@H](CSCCC[NH+]2CCCCC2)C1 ZINC000564958757 370309630 /nfs/dbraw/zinc/30/96/30/370309630.db2.gz QLLAABCPVQODSC-AWEZNQCLSA-N 2 0 272.458 1.926 10 0 CDAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2CC[NH3+])C1 ZINC000565151789 370360858 /nfs/dbraw/zinc/36/08/58/370360858.db2.gz QCKFOOSJORWWAM-AWEZNQCLSA-N 2 0 289.423 1.602 10 0 CDAERP CCn1ccnc1CNC(=O)N[C@H](C[NH3+])CC(C)C ZINC000418277097 370387906 /nfs/dbraw/zinc/38/79/06/370387906.db2.gz VSGLXHXCMFYOFO-NSHDSACASA-N 2 0 267.377 1.076 10 0 CDAERP CC[N@@H+]1CC[C@H]2OCCN(c3ccnc(C)n3)[C@H]2C1 ZINC000292803035 370396537 /nfs/dbraw/zinc/39/65/37/370396537.db2.gz NMFSJHCGGCCCGM-QWHCGFSZSA-N 2 0 262.357 1.084 10 0 CDAERP C[C@H](N[C@H](Cc1ccccc1)C[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000422720843 245176760 /nfs/dbraw/zinc/17/67/60/245176760.db2.gz TZYHHWSMWATITF-UAGQMJEPSA-N 2 0 275.440 1.889 10 0 CDAERP C[C@H](N[C@@H](Cc1ccccc1)C[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000422720847 245178331 /nfs/dbraw/zinc/17/83/31/245178331.db2.gz TZYHHWSMWATITF-XIRDDKMYSA-N 2 0 275.440 1.889 10 0 CDAERP CN(C)c1ncccc1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422866283 245353298 /nfs/dbraw/zinc/35/32/98/245353298.db2.gz QBMBCKCFDAPYTC-TZMCWYRMSA-N 2 0 262.401 1.755 10 0 CDAERP CC(C)OC[C@@H](O)C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000573595998 371594232 /nfs/dbraw/zinc/59/42/32/371594232.db2.gz NWVCUZAFLWNKGS-CVEARBPZSA-N 2 0 286.460 1.874 10 0 CDAERP COC[C@H](C)C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000582474400 372320303 /nfs/dbraw/zinc/32/03/03/372320303.db2.gz ZMIAHCXOFNASRJ-WLYUNCDWSA-N 2 0 269.433 1.075 10 0 CDAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000394354351 372361110 /nfs/dbraw/zinc/36/11/10/372361110.db2.gz RROVIFYMIUCKFU-ZNMIVQPWSA-N 2 0 279.428 1.461 10 0 CDAERP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000578543159 372501658 /nfs/dbraw/zinc/50/16/58/372501658.db2.gz XZVNZEPKIMRKAF-UYJPIKCFSA-N 2 0 281.444 1.741 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N2CC[C@H]([NH3+])[C@@H]2C)CC1 ZINC000333297404 205193978 /nfs/dbraw/zinc/19/39/78/205193978.db2.gz INWNQZHRAMMECQ-JSGCOSHPSA-N 2 0 282.432 1.240 10 0 CDAERP CO[C@@H](C)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000182157292 373019352 /nfs/dbraw/zinc/01/93/52/373019352.db2.gz HCHCWJXGKPVIFA-LSDHHAIUSA-N 2 0 269.433 1.123 10 0 CDAERP [NH3+]Cc1ccc(-c2noc([C@H]3C[C@@]34CC[NH2+]C4)n2)cc1 ZINC000581823857 373253024 /nfs/dbraw/zinc/25/30/24/373253024.db2.gz JPKZFZMBPQIORA-IUODEOHRSA-N 2 0 270.336 1.662 10 0 CDAERP C[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398072055 373595300 /nfs/dbraw/zinc/59/53/00/373595300.db2.gz PLHRDYLQUIBDOF-IIAWOOMASA-N 2 0 289.423 1.621 10 0 CDAERP COc1cccc([C@@H]2C[C@H](O)C[N@@H+]2CCn2ccnc2)c1 ZINC000225727091 374328452 /nfs/dbraw/zinc/32/84/52/374328452.db2.gz SXTPZRZHCUUOQZ-HOCLYGCPSA-N 2 0 287.363 1.700 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)C2CCOCC2)CC1(C)C ZINC000623426393 374342673 /nfs/dbraw/zinc/34/26/73/374342673.db2.gz MDIYLPDZCDTFJX-KGLIPLIRSA-N 2 0 270.417 1.236 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000418560168 374410240 /nfs/dbraw/zinc/41/02/40/374410240.db2.gz RKCMYMWWMBRCES-APIJFGDWSA-N 2 0 294.443 1.110 10 0 CDAERP CC(C)[NH+]1CCC([NH2+][C@H]2CCC[C@@H](CO)C2)CC1 ZINC000336788854 374673800 /nfs/dbraw/zinc/67/38/00/374673800.db2.gz RDEBJXRDDDFLBE-HIFRSBDPSA-N 2 0 254.418 2.000 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)c2ccc3c(c2)C[NH2+]C3)CC[N@@H+]1C ZINC000334270657 374690309 /nfs/dbraw/zinc/69/03/09/374690309.db2.gz SQCLUXXSVFDBRB-MLGOLLRUSA-N 2 0 287.407 1.845 10 0 CDAERP COCC[C@H](C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000124627585 374823864 /nfs/dbraw/zinc/82/38/64/374823864.db2.gz JBWWZCFWDULEHE-INIZCTEOSA-N 2 0 297.487 1.951 10 0 CDAERP CC(C)CC[C@H]([NH3+])C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000638854497 375077595 /nfs/dbraw/zinc/07/75/95/375077595.db2.gz QBTQZCUSUHKMOP-KBPBESRZSA-N 2 0 267.417 1.303 10 0 CDAERP [NH3+]C1(CNC(=O)[C@@H]2CCC[NH2+]C2)CCCCCC1 ZINC000131632134 375438579 /nfs/dbraw/zinc/43/85/79/375438579.db2.gz YAXNHMOCANGICQ-GFCCVEGCSA-N 2 0 253.390 1.154 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH+](C)C)CC1 ZINC000416304808 375625475 /nfs/dbraw/zinc/62/54/75/375625475.db2.gz VVTRERQVTDIHKR-LBPRGKRZSA-N 2 0 253.390 1.071 10 0 CDAERP C[C@@H]1C[C@@H](N2C[C@@H]([NH3+])C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000306602315 375776385 /nfs/dbraw/zinc/77/63/85/375776385.db2.gz VVODOQIEHXILQS-VHDGCEQUSA-N 2 0 273.380 1.209 10 0 CDAERP C[C@H]1CCCN1C(=O)CC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000334617313 376563448 /nfs/dbraw/zinc/56/34/48/376563448.db2.gz XOCDDTKOSNWQIY-GOEBONIOSA-N 2 0 279.428 1.415 10 0 CDAERP CCN(CC(F)(F)F)C(=O)CN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000631828396 376663291 /nfs/dbraw/zinc/66/32/91/376663291.db2.gz OCFWTQMAIAISIY-GHMZBOCLSA-N 2 0 295.349 1.314 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)CC[N@@H+]1C ZINC000631881926 376771750 /nfs/dbraw/zinc/77/17/50/376771750.db2.gz MBGNLCRCABREJU-QKPAOTATSA-N 2 0 293.455 1.659 10 0 CDAERP CC(C)(C)N1CC[C@H](N2CC[C@@H](C[NH+]3CCCC3)C2)C1=O ZINC000425419912 377264704 /nfs/dbraw/zinc/26/47/04/377264704.db2.gz OJTFBNVKRGKIQG-GJZGRUSLSA-N 2 0 293.455 1.804 10 0 CDAERP CN(C)[C@H](C[NH2+][C@@H]1CCC[NH2+]CC1)c1ccco1 ZINC000128881157 377325837 /nfs/dbraw/zinc/32/58/37/377325837.db2.gz YPGXVZPHIJCRNO-CHWSQXEVSA-N 2 0 251.374 1.614 10 0 CDAERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000571874607 377560518 /nfs/dbraw/zinc/56/05/18/377560518.db2.gz AJIYWXORUJEJSU-ZACQAIPSSA-N 2 0 295.471 1.153 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CC[NH+](CC)CC ZINC000572059250 377677809 /nfs/dbraw/zinc/67/78/09/377677809.db2.gz YVNIPMSOADBWJA-HUUCEWRRSA-N 2 0 299.459 1.070 10 0 CDAERP C[N@H+](CCNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000417512796 377757838 /nfs/dbraw/zinc/75/78/38/377757838.db2.gz ZEWPSJLNBFILGM-OAHLLOKOSA-N 2 0 294.443 1.397 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)CC[N@@H+]1C ZINC000633205288 378205178 /nfs/dbraw/zinc/20/51/78/378205178.db2.gz BPQZFOUHOVIUMQ-ZMSDIMECSA-N 2 0 293.455 1.661 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000193302137 378288100 /nfs/dbraw/zinc/28/81/00/378288100.db2.gz MSUXSBJQHZNECX-MCIONIFRSA-N 2 0 285.432 1.119 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000634124453 379063883 /nfs/dbraw/zinc/06/38/83/379063883.db2.gz DVHQVXGXBDFCQJ-AWEZNQCLSA-N 2 0 281.444 1.661 10 0 CDAERP COCC1([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)CCCCC1 ZINC000662339940 412906859 /nfs/dbraw/zinc/90/68/59/412906859.db2.gz QXNHESBXLBJJKF-CQSZACIVSA-N 2 0 272.433 1.626 10 0 CDAERP CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000657580160 412910060 /nfs/dbraw/zinc/91/00/60/412910060.db2.gz YUOUWHPSIZMWKB-NNXHMXCWSA-N 2 0 296.455 1.769 10 0 CDAERP C[NH2+]Cc1cccc(NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000655907303 412912597 /nfs/dbraw/zinc/91/25/97/412912597.db2.gz HGZNNQZDIPCZAD-OTVXOJSOSA-N 2 0 290.411 1.868 10 0 CDAERP Cc1nocc1C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000657572568 412912820 /nfs/dbraw/zinc/91/28/20/412912820.db2.gz BDLODIWTKJRWTO-LBPRGKRZSA-N 2 0 268.405 1.345 10 0 CDAERP CC[C@@H]1C[N@H+](CC)CCN1C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655932546 412947233 /nfs/dbraw/zinc/94/72/33/412947233.db2.gz XFNGOTKSUUXDJS-NXEZZACHSA-N 2 0 296.337 1.002 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CC2(C(=O)OC)CC2)[C@H](C)C1 ZINC000450571837 251345166 /nfs/dbraw/zinc/34/51/66/251345166.db2.gz SOZYLRCXBQSSPK-CHWSQXEVSA-N 2 0 268.401 1.602 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000655961690 412963239 /nfs/dbraw/zinc/96/32/39/412963239.db2.gz YKSPDSWNTBAVFV-OKILXGFUSA-N 2 0 296.459 1.678 10 0 CDAERP CC(C)[NH2+][C@](C)(CO)CCC[N@H+](C)C1CCOCC1 ZINC000085240764 184609062 /nfs/dbraw/zinc/60/90/62/184609062.db2.gz DNFVOGUYEMDTEW-HNNXBMFYSA-N 2 0 272.433 1.626 10 0 CDAERP C[C@H]([NH3+])C1CCN(C(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000662408995 412976570 /nfs/dbraw/zinc/97/65/70/412976570.db2.gz CQDOQTBIQROWHN-NSHDSACASA-N 2 0 265.401 1.247 10 0 CDAERP C[NH+](C)Cc1ccc(C(=O)NCCC2(C[NH3+])CC2)cc1 ZINC000653349413 413022773 /nfs/dbraw/zinc/02/27/73/413022773.db2.gz OALOMAGAHBYHQJ-UHFFFAOYSA-N 2 0 275.396 1.607 10 0 CDAERP [NH3+]C[C@]12CCC[C@H](C[N@H+](Cc3ccccc3)C1)[C@H]2O ZINC000036378455 390411080 /nfs/dbraw/zinc/41/10/80/390411080.db2.gz QLVGVVNOORRUNH-BZUAXINKSA-N 2 0 260.381 1.608 10 0 CDAERP CC(C)=CC[N@@H+]1CCN(Cc2nccn2C)[C@@H](C)C1 ZINC000071863851 390439101 /nfs/dbraw/zinc/43/91/01/390439101.db2.gz JISPXBQMISZEGZ-AWEZNQCLSA-N 2 0 262.401 1.892 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000418384575 285390636 /nfs/dbraw/zinc/39/06/36/285390636.db2.gz PAVKZKFZYZSKQZ-IHRRRGAJSA-N 2 0 282.432 1.110 10 0 CDAERP CCC[NH+]1CCC([NH2+]CCCc2ncn(C)n2)CC1 ZINC000647325323 390939129 /nfs/dbraw/zinc/93/91/29/390939129.db2.gz BPJVCEBTMDJDTL-UHFFFAOYSA-N 2 0 265.405 1.212 10 0 CDAERP CC[N@@H+]1CC[C@H]2OCCN(C(=O)CCCC[NH+](C)C)[C@H]2C1 ZINC000647219346 390887509 /nfs/dbraw/zinc/88/75/09/390887509.db2.gz CDQAPHINGDXLHT-LSDHHAIUSA-N 2 0 297.443 1.040 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000417751907 391026971 /nfs/dbraw/zinc/02/69/71/391026971.db2.gz PYASKEZVCAAVOO-KBPBESRZSA-N 2 0 296.459 1.500 10 0 CDAERP c1ncn(-c2ccccc2CN2CCC[C@@]3(CC[NH2+]C3)C2)n1 ZINC000647541510 390983138 /nfs/dbraw/zinc/98/31/38/390983138.db2.gz PQDYOJSVSOKUDO-KRWDZBQOSA-N 2 0 297.406 1.843 10 0 CDAERP C[C@@H](COCC(F)(F)F)N[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000647549010 390992888 /nfs/dbraw/zinc/99/28/88/390992888.db2.gz FIHJZWGPZZJSKD-GUBZILKMSA-N 2 0 254.296 1.541 10 0 CDAERP Cc1ccc(C[C@H](CO)N[C@H]2C[NH2+]C[C@@H](C)C2)cc1 ZINC000647551459 390996291 /nfs/dbraw/zinc/99/62/91/390996291.db2.gz PFDBKBGODWDZFV-NUEKZKHPSA-N 2 0 262.397 1.486 10 0 CDAERP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647550863 390999643 /nfs/dbraw/zinc/99/96/43/390999643.db2.gz LJPXBJIRDAKVJF-VCOSZWKGSA-N 2 0 290.455 1.946 10 0 CDAERP C[C@H]1C[NH+](CCCC[NH2+]Cc2cocn2)C[C@H](C)O1 ZINC000192298761 391065972 /nfs/dbraw/zinc/06/59/72/391065972.db2.gz AFMINGUKJNNACW-STQMWFEESA-N 2 0 267.373 1.654 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1CCC[N@H+](CC)C1)[NH+](CC)CC ZINC000345320327 391132750 /nfs/dbraw/zinc/13/27/50/391132750.db2.gz PBYSLAMSAHNNGE-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP CC[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CCOC)[NH+](CC)CC ZINC000345774453 391312747 /nfs/dbraw/zinc/31/27/47/391312747.db2.gz YIEQFQXZGOXPNO-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)CC[C@@H](C)[NH3+])C1 ZINC000193321055 391336197 /nfs/dbraw/zinc/33/61/97/391336197.db2.gz XDLYIMYDPWFNQI-OLZOCXBDSA-N 2 0 255.406 1.304 10 0 CDAERP C[C@H]1CCC[C@](CNC(=O)NCCC[NH3+])([NH+](C)C)C1 ZINC000417217965 391346246 /nfs/dbraw/zinc/34/62/46/391346246.db2.gz RXMZILKIAXXMHM-JSGCOSHPSA-N 2 0 270.421 1.145 10 0 CDAERP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N[C@H](C)[C@H](C)[NH3+])cc1 ZINC000418357497 391384456 /nfs/dbraw/zinc/38/44/56/391384456.db2.gz QSPUCWNUUUOQLP-YWPYICTPSA-N 2 0 292.427 1.845 10 0 CDAERP c1nn(-c2cc[nH+]cc2)cc1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000643469422 391479881 /nfs/dbraw/zinc/47/98/81/391479881.db2.gz UQRZFCUXYLLUSJ-FUNVUKJBSA-N 2 0 269.352 1.962 10 0 CDAERP C[C@H](NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)C(C)(C)C[NH+](C)C ZINC000417853279 391509908 /nfs/dbraw/zinc/50/99/08/391509908.db2.gz IGQLNVXGJJBHRW-GXTWGEPZSA-N 2 0 296.459 1.499 10 0 CDAERP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418553261 391519107 /nfs/dbraw/zinc/51/91/07/391519107.db2.gz STGDPDJPMRRFDJ-MCIONIFRSA-N 2 0 282.432 1.110 10 0 CDAERP Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647794361 391637967 /nfs/dbraw/zinc/63/79/67/391637967.db2.gz YPJXWNHBYYFFRY-ARFHVFGLSA-N 2 0 290.455 1.947 10 0 CDAERP Cn1nc2c(c1C[NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@@H]3C1)CCCC2 ZINC000647797876 391659648 /nfs/dbraw/zinc/65/96/48/391659648.db2.gz GDQXRNPHMWKSKC-MELADBBJSA-N 2 0 288.439 1.777 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000662477435 413050144 /nfs/dbraw/zinc/05/01/44/413050144.db2.gz FGLKJLOLBHYZAK-GJZGRUSLSA-N 2 0 297.443 1.073 10 0 CDAERP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCn2cc(C)cn2)C1 ZINC000341895329 130137925 /nfs/dbraw/zinc/13/79/25/130137925.db2.gz LNTHZVGYLLITQT-INIZCTEOSA-N 2 0 294.443 1.624 10 0 CDAERP CC(C)CC[C@@H](O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646106735 392016308 /nfs/dbraw/zinc/01/63/08/392016308.db2.gz OWWGJADDYGCZGL-OAHLLOKOSA-N 2 0 284.444 1.580 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(C[NH3+])o2)CC[N@@H+]1C ZINC000646069023 391970791 /nfs/dbraw/zinc/97/07/91/391970791.db2.gz JEDIFSRODKQQRX-MNOVXSKESA-N 2 0 265.357 1.293 10 0 CDAERP CC1(C)CN(C(=O)[C@]2(C)CCCC[NH2+]2)CC[C@H]1[NH3+] ZINC000261750781 392020912 /nfs/dbraw/zinc/02/09/12/392020912.db2.gz FEXNUEKKGMGMFT-RISCZKNCSA-N 2 0 253.390 1.104 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)CCC(C)(C)[NH3+])[C@@H](C)C1 ZINC000649340695 392068707 /nfs/dbraw/zinc/06/87/07/392068707.db2.gz KDLBEHUHHGKVFT-QWHCGFSZSA-N 2 0 269.433 1.693 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1CC[NH2+]C12CCCC2)[NH+](CC)CC ZINC000649373030 392125055 /nfs/dbraw/zinc/12/50/55/392125055.db2.gz NRIVRSCKWZDJHX-ZIAGYGMSSA-N 2 0 281.444 1.898 10 0 CDAERP CC(=O)[C@](C)(O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000649425660 392211616 /nfs/dbraw/zinc/21/16/16/392211616.db2.gz HSMPPKZFXCLYSF-IVMMDQJWSA-N 2 0 282.428 1.569 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CC[NH+](C)C)OCC ZINC000440632881 392220241 /nfs/dbraw/zinc/22/02/41/392220241.db2.gz CJNZXRKGSANOEO-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP CCOC[C@H](C)[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000423063756 392310067 /nfs/dbraw/zinc/31/00/67/392310067.db2.gz PPSZDJKSSQTTMG-WDEREUQCSA-N 2 0 251.374 1.924 10 0 CDAERP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)[C@H](C)OC)CC[NH2+]CC1 ZINC000423075454 392320365 /nfs/dbraw/zinc/32/03/65/392320365.db2.gz WVCNROWXHRMPTN-AVGNSLFASA-N 2 0 286.416 1.321 10 0 CDAERP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC[C@@H]1CCOC1 ZINC000423038973 392292395 /nfs/dbraw/zinc/29/23/95/392292395.db2.gz ZKCHNOCVLHTAOB-NUEKZKHPSA-N 2 0 262.397 1.961 10 0 CDAERP CC[C@H](NCC[N@H+]1CC=C(C)CC1)[C@@H]1CCC[NH2+]1 ZINC000423040891 392295629 /nfs/dbraw/zinc/29/56/29/392295629.db2.gz VFXKEOXXEOZCBX-GJZGRUSLSA-N 2 0 251.418 1.759 10 0 CDAERP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000423088503 392333062 /nfs/dbraw/zinc/33/30/62/392333062.db2.gz QIRWNGZBQOWGCC-UONOGXRCSA-N 2 0 266.429 1.907 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1c(F)cc(F)cc1F ZINC000423126965 392365633 /nfs/dbraw/zinc/36/56/33/392365633.db2.gz BJBDZOIUMMXHDZ-JTQLQIEISA-N 2 0 276.302 1.947 10 0 CDAERP C1C[C@@H]([C@H]2CCC[C@H]([NH2+]C3CC[NH2+]CC3)C2)CO1 ZINC000423190553 392430483 /nfs/dbraw/zinc/43/04/83/392430483.db2.gz SPWHNRBTKTXZHI-GUTXKFCHSA-N 2 0 252.402 1.923 10 0 CDAERP CC[NH+](CC)CCC[C@H](C)NC(=O)CN1CC(C)(C)C1 ZINC000568194507 392398525 /nfs/dbraw/zinc/39/85/25/392398525.db2.gz KNELSFCUWPECBN-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC1C[NH2+]C1 ZINC000423304925 392500250 /nfs/dbraw/zinc/50/02/50/392500250.db2.gz PXDGOUBCFQXNRK-PBHICJAKSA-N 2 0 273.424 1.706 10 0 CDAERP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CC2C[NH2+]C2)cc1 ZINC000423315977 392509546 /nfs/dbraw/zinc/50/95/46/392509546.db2.gz JMCIMNSKUTVFRF-IUIKQTSFSA-N 2 0 260.381 1.996 10 0 CDAERP C[C@H]([NH2+]C1CCN(c2ccccn2)CC1)[C@H]1CCC[NH2+]1 ZINC000400422899 392516920 /nfs/dbraw/zinc/51/69/20/392516920.db2.gz XOBRMNBSLYHNRV-DZGCQCFKSA-N 2 0 274.412 1.781 10 0 CDAERP OCC[C@]1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CCOC1 ZINC000574308160 392567653 /nfs/dbraw/zinc/56/76/53/392567653.db2.gz PEDKMLNEUZIWHK-MWDXBVQZSA-N 2 0 296.455 1.676 10 0 CDAERP C[C@@H](C(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)[NH+](C)C ZINC000649102190 392765397 /nfs/dbraw/zinc/76/53/97/392765397.db2.gz XOIXUFKDKWWKLD-IMJJTQAJSA-N 2 0 289.423 1.398 10 0 CDAERP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCCSCC2)CC1 ZINC000657873905 413065944 /nfs/dbraw/zinc/06/59/44/413065944.db2.gz VXYYJMIWRNVXDL-OAHLLOKOSA-N 2 0 285.501 1.889 10 0 CDAERP C[C@]1(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)CCCC[NH2+]1 ZINC000181010709 140018762 /nfs/dbraw/zinc/01/87/62/140018762.db2.gz NXRKTKVTEFZZKF-DOTOQJQBSA-N 2 0 293.455 1.853 10 0 CDAERP C[NH+](C)CCNC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000243388865 140262545 /nfs/dbraw/zinc/26/25/45/140262545.db2.gz MLARBYZXABFAGM-UHFFFAOYSA-N 2 0 275.396 1.113 10 0 CDAERP O=C(NCCC[NH+]1CCCCC1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000252431137 140318723 /nfs/dbraw/zinc/31/87/23/140318723.db2.gz CDMADNQUFCJAOI-XHSDSOJGSA-N 2 0 293.455 1.899 10 0 CDAERP CC1(C)CN(C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC[C@H]1[NH3+] ZINC000261698598 140376852 /nfs/dbraw/zinc/37/68/52/140376852.db2.gz BHWOZICHNRYKDP-MGPQQGTHSA-N 2 0 281.444 1.870 10 0 CDAERP COC(C)(C)CC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000346444289 292055447 /nfs/dbraw/zinc/05/54/47/292055447.db2.gz KIBLENBOAOWGMV-SOUVJXGZSA-N 2 0 284.444 1.985 10 0 CDAERP C[C@@H](CCC[NH3+])NC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662568231 413136956 /nfs/dbraw/zinc/13/69/56/413136956.db2.gz NKVVMASEPSLVFE-SMDDNHRTSA-N 2 0 261.369 1.465 10 0 CDAERP C[C@H]1C[C@H](NC(=O)NCCC[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000417871518 397645584 /nfs/dbraw/zinc/64/55/84/397645584.db2.gz JYDWFMSXPKEHRE-ZFWWWQNUSA-N 2 0 290.411 1.297 10 0 CDAERP CN(C(=O)CC[C@@H]1CCC[NH2+]1)[C@@H]1C[NH+]2CCC1CC2 ZINC000389192167 397846872 /nfs/dbraw/zinc/84/68/72/397846872.db2.gz OOSDYDLNDFTTGJ-UONOGXRCSA-N 2 0 265.401 1.071 10 0 CDAERP CN(CC[NH2+]Cc1ccsc1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001663855643 1172778290 /nfs/dbraw/zinc/77/82/90/1172778290.db2.gz GNCGDNKMNXOLLQ-ZDUSSCGKSA-N 2 0 281.425 1.390 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000094447154 147089344 /nfs/dbraw/zinc/08/93/44/147089344.db2.gz WMSZGKGYPLTEHG-MGPQQGTHSA-N 2 0 297.468 1.167 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000662620799 413205949 /nfs/dbraw/zinc/20/59/49/413205949.db2.gz BMXWDSXNIVUGIO-CQSZACIVSA-N 2 0 275.396 1.748 10 0 CDAERP CO[C@@H](C)C[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000182140875 148242323 /nfs/dbraw/zinc/24/23/23/148242323.db2.gz MCOXQUFRLZEHHX-AWEZNQCLSA-N 2 0 280.416 1.314 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CC[NH2+]C[C@@H]2C)[C@@H](C)C1 ZINC000423365052 286063669 /nfs/dbraw/zinc/06/36/69/286063669.db2.gz CTNYXJKERVPHAA-NXOAAHMSSA-N 2 0 297.487 1.711 10 0 CDAERP C[NH2+]CCC1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000262062354 149007240 /nfs/dbraw/zinc/00/72/40/149007240.db2.gz OBNRHPOPBNEGID-PMPSAXMXSA-N 2 0 293.455 1.755 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)[C@](C)([NH3+])CCC)CC1 ZINC000262705078 149100649 /nfs/dbraw/zinc/10/06/49/149100649.db2.gz LKOUBHSNZBFGHW-OAHLLOKOSA-N 2 0 269.433 1.742 10 0 CDAERP CN(CC[NH2+]CC1CC1)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001664309138 1172838563 /nfs/dbraw/zinc/83/85/63/1172838563.db2.gz HHQRKXMZGSLCHP-CABCVRRESA-N 2 0 281.444 1.565 10 0 CDAERP [NH3+][C@H](CC(=O)N1CC[NH+]2CCC1CC2)c1ccccc1 ZINC000335037806 150213575 /nfs/dbraw/zinc/21/35/75/150213575.db2.gz MCSBUDBIAPAURY-OAHLLOKOSA-N 2 0 273.380 1.383 10 0 CDAERP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[NH+]3CCC2CC3)cc1 ZINC000335049967 150229945 /nfs/dbraw/zinc/22/99/45/150229945.db2.gz BCIPGLGKBATLGW-GFCCVEGCSA-N 2 0 273.380 1.627 10 0 CDAERP COc1cc(C[NH2+][C@@H]2CN(C)C[C@@H]2C)ccc1OCCO ZINC000343352907 152135234 /nfs/dbraw/zinc/13/52/34/152135234.db2.gz JGKPTKPVAPSMBB-GXTWGEPZSA-N 2 0 294.395 1.106 10 0 CDAERP C[C@H]1CN(C)C[C@H]1[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000343872378 152334582 /nfs/dbraw/zinc/33/45/82/152334582.db2.gz SPABYSUUSFMNQU-GOEBONIOSA-N 3 0 291.439 1.667 10 0 CDAERP [NH3+]CCc1cn([C@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000656455225 413279270 /nfs/dbraw/zinc/27/92/70/413279270.db2.gz ABYCHLNSHROQQM-HNNXBMFYSA-N 2 0 271.368 1.226 10 0 CDAERP COc1ccc([C@H](N[C@H](C)[C@@H](C)[NH3+])[C@H]2CCC[NH2+]2)cc1 ZINC000423486045 286376538 /nfs/dbraw/zinc/37/65/38/286376538.db2.gz ZMLBOUMJBAOKFT-BHTHQVBYSA-N 2 0 277.412 1.814 10 0 CDAERP CC[N@H+](CCC1CC[NH+](C[C@H](O)COC)CC1)CC1CC1 ZINC000348930066 154009241 /nfs/dbraw/zinc/00/92/41/154009241.db2.gz XJAKNFRUVRIQPK-KRWDZBQOSA-N 2 0 298.471 1.828 10 0 CDAERP C[NH+](C)CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000348937391 154011375 /nfs/dbraw/zinc/01/13/75/154011375.db2.gz ZMMWITZWDWDRJD-UHFFFAOYSA-N 2 0 255.406 1.176 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)C(C)C ZINC000349059163 154041806 /nfs/dbraw/zinc/04/18/06/154041806.db2.gz SDMURHDWDHPXNF-ZDUSSCGKSA-N 2 0 255.406 1.317 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cocn1 ZINC000349062746 154042930 /nfs/dbraw/zinc/04/29/30/154042930.db2.gz NWNUXWZCJGKWNF-OAHLLOKOSA-N 2 0 280.416 1.523 10 0 CDAERP CC[C@@H]1C[C@@H](C[NH2+]CCOCC[NH+](C)C)CCO1 ZINC000349189232 154065688 /nfs/dbraw/zinc/06/56/88/154065688.db2.gz GDYZNLRKZODMCE-UONOGXRCSA-N 2 0 258.406 1.359 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000349803895 154222406 /nfs/dbraw/zinc/22/24/06/154222406.db2.gz QWLCECUJSFPSHV-ZIAGYGMSSA-N 2 0 296.459 1.666 10 0 CDAERP C[C@@H](CNC(=O)C1([NH2+]C2CC2)CCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000662677888 413297330 /nfs/dbraw/zinc/29/73/30/413297330.db2.gz ANHZQSSLXPVGJW-KGLIPLIRSA-N 2 0 293.455 1.898 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000654451589 413298784 /nfs/dbraw/zinc/29/87/84/413298784.db2.gz BSYJLRBBTGSHEY-SOUVJXGZSA-N 2 0 294.443 1.110 10 0 CDAERP CC1CC[NH+](CCNC(=O)c2cc(C(C)(C)[NH3+])no2)CC1 ZINC000662680411 413298865 /nfs/dbraw/zinc/29/88/65/413298865.db2.gz UVIHOFOKRYYNFA-UHFFFAOYSA-N 2 0 294.399 1.330 10 0 CDAERP CC1CC[NH+](CCCCNC(=O)CC2([NH3+])CC2)CC1 ZINC000662683704 413306309 /nfs/dbraw/zinc/30/63/09/413306309.db2.gz RRGVUMZULMKPCY-UHFFFAOYSA-N 2 0 267.417 1.496 10 0 CDAERP C[C@@H]1CCC[N@H+](CCCCNC(=O)CC2([NH3+])CC2)C1 ZINC000662684374 413306685 /nfs/dbraw/zinc/30/66/85/413306685.db2.gz XPHBAVZMEXSQLD-CYBMUJFWSA-N 2 0 267.417 1.496 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000355598821 157136487 /nfs/dbraw/zinc/13/64/87/157136487.db2.gz RIKSNRWNAGAXSV-UHFFFAOYSA-N 2 0 283.460 1.909 10 0 CDAERP CC(C)C[C@H]([NH2+][C@@H]1CCOC[C@H]1C)C(=O)NCC[NH+](C)C ZINC000358985914 158090908 /nfs/dbraw/zinc/09/09/08/158090908.db2.gz KKBRMEINBODFKR-KFWWJZLASA-N 2 0 299.459 1.094 10 0 CDAERP CC[NH+](CC)CCCCNC(=O)CC1CC[NH+](C)CC1 ZINC000362770195 159234566 /nfs/dbraw/zinc/23/45/66/159234566.db2.gz QLHIVPOFAPLPGC-UHFFFAOYSA-N 2 0 283.460 1.957 10 0 CDAERP Cc1ccc(NC(=O)CC2([NH3+])CC2)c(OCC[NH+](C)C)c1 ZINC000662733628 413401119 /nfs/dbraw/zinc/40/11/19/413401119.db2.gz IYXAXAXWGOQZML-UHFFFAOYSA-N 2 0 291.395 1.755 10 0 CDAERP COC[C@@H](O)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000374706063 160309342 /nfs/dbraw/zinc/30/93/42/160309342.db2.gz SXSNIOSICHQYCU-VNQPRFMTSA-N 2 0 284.444 1.626 10 0 CDAERP CC[N@H+](C)[C@H](C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1ccccc1 ZINC000662748363 413426340 /nfs/dbraw/zinc/42/63/40/413426340.db2.gz RHJFKGUVUMQLRY-KFWWJZLASA-N 2 0 293.386 1.577 10 0 CDAERP CCCOc1cccc(C[NH2+]CCC[NH2+]CCO)c1 ZINC000020967359 171282447 /nfs/dbraw/zinc/28/24/47/171282447.db2.gz KTJIQMYNNQCSNS-UHFFFAOYSA-N 2 0 266.385 1.537 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000653214056 412141998 /nfs/dbraw/zinc/14/19/98/412141998.db2.gz FBVBYDGNVWZDCL-GOEBONIOSA-N 2 0 273.380 1.022 10 0 CDAERP COCC1(C(=O)NCCC[N@H+](C)CC(C)C)CC[NH2+]CC1 ZINC000653175805 412114987 /nfs/dbraw/zinc/11/49/87/412114987.db2.gz BNXAGJIZQLNZNC-UHFFFAOYSA-N 2 0 299.459 1.097 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000653176477 412116633 /nfs/dbraw/zinc/11/66/33/412116633.db2.gz WIRKZYOCNCVLGJ-AWEZNQCLSA-N 2 0 281.444 1.470 10 0 CDAERP [NH3+]CC1(CCNC(=O)c2cccc3c2CC[NH2+]C3)CC1 ZINC000662829130 413561788 /nfs/dbraw/zinc/56/17/88/413561788.db2.gz LGACVHKCPBIGFF-UHFFFAOYSA-N 2 0 273.380 1.191 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000664719424 413615772 /nfs/dbraw/zinc/61/57/72/413615772.db2.gz RNNMANYRPLAPFW-RYUDHWBXSA-N 2 0 255.406 1.221 10 0 CDAERP Cc1ccc([C@H]([NH3+])C(=O)N[C@H](C)c2nccn2C)cc1 ZINC000662932731 413717219 /nfs/dbraw/zinc/71/72/19/413717219.db2.gz DTVSVRDOWDCMKF-YPMHNXCESA-N 2 0 272.352 1.606 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000659436461 413818353 /nfs/dbraw/zinc/81/83/53/413818353.db2.gz LVRAYROGSRSQMW-MELADBBJSA-N 2 0 282.432 1.286 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000659436995 413819453 /nfs/dbraw/zinc/81/94/53/413819453.db2.gz XNMKPCWRPUGGMO-TZMCWYRMSA-N 2 0 282.432 1.143 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000659442590 413825929 /nfs/dbraw/zinc/82/59/29/413825929.db2.gz PGFCUICXPKNEHM-SOUVJXGZSA-N 2 0 298.475 1.779 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659473261 413862368 /nfs/dbraw/zinc/86/23/68/413862368.db2.gz WICOWDRGMNZRPS-UHFFFAOYSA-N 2 0 294.443 1.158 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)C1 ZINC000407359479 413943027 /nfs/dbraw/zinc/94/30/27/413943027.db2.gz GSCHSYCEOJIOIT-ILXRZTDVSA-N 2 0 279.428 1.460 10 0 CDAERP CC[NH+](CC)CCC[NH2+][C@H](CO)[C@@H]1CCC[C@H](OC)C1 ZINC000661213788 413891019 /nfs/dbraw/zinc/89/10/19/413891019.db2.gz DFFOWRAXURSFJA-OWCLPIDISA-N 2 0 286.460 1.874 10 0 CDAERP CC(=O)NCc1ccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000665234600 413957761 /nfs/dbraw/zinc/95/77/61/413957761.db2.gz GRBQCJYNQBLWBQ-IRXDYDNUSA-N 2 0 289.423 1.930 10 0 CDAERP COC[C@H](CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)OC ZINC000665234294 413958805 /nfs/dbraw/zinc/95/88/05/413958805.db2.gz ALPLQJSDSFWNEW-DGAVXFQQSA-N 2 0 256.390 1.016 10 0 CDAERP COC1CC(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000665230975 413959805 /nfs/dbraw/zinc/95/98/05/413959805.db2.gz ZPMSTTSDPXQXSQ-KSDPFWLUSA-N 2 0 252.402 1.779 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000659618838 414024575 /nfs/dbraw/zinc/02/45/75/414024575.db2.gz BOKFWXLYWQVSHA-DZGCQCFKSA-N 2 0 298.475 1.732 10 0 CDAERP CC[C@H]([NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1)C1CC1 ZINC000665287602 414026189 /nfs/dbraw/zinc/02/61/89/414026189.db2.gz PWGGTZGFWATINV-HNNXBMFYSA-N 2 0 281.444 1.755 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659623332 414037028 /nfs/dbraw/zinc/03/70/28/414037028.db2.gz ZNJCBHWTYVOHOD-CYBMUJFWSA-N 2 0 272.437 1.343 10 0 CDAERP CC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]C2CCN(C)CC2)C1 ZINC000037266967 173076366 /nfs/dbraw/zinc/07/63/66/173076366.db2.gz KLHBAEXSXUPXNC-KGLIPLIRSA-N 2 0 253.434 1.791 10 0 CDAERP CCn1nccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000663472064 414273460 /nfs/dbraw/zinc/27/34/60/414273460.db2.gz WRLNBBKGRJLQGK-ZNMIVQPWSA-N 2 0 262.401 1.865 10 0 CDAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NCC12CC(C1)C[NH2+]2 ZINC000663498257 414298591 /nfs/dbraw/zinc/29/85/91/414298591.db2.gz NYQJGJFNMGFLGM-VNCIIQTRSA-N 2 0 285.435 1.849 10 0 CDAERP CC(C)NC(=O)[C@H]1CCC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000663502235 414303143 /nfs/dbraw/zinc/30/31/43/414303143.db2.gz GFCHBJYEWIZUPC-KFWWJZLASA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)[C@H]([NH3+])CC[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000663503102 414305603 /nfs/dbraw/zinc/30/56/03/414305603.db2.gz NRWJCOPLHAJDEC-GFCCVEGCSA-N 2 0 281.366 1.976 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)C2CCC2)CC1 ZINC000663505360 414305706 /nfs/dbraw/zinc/30/57/06/414305706.db2.gz ILAMPQJEXDNHLX-ZDUSSCGKSA-N 2 0 281.444 1.755 10 0 CDAERP c1nc2c([nH]1)C[C@H]([NH2+]Cc1cnc3n1CCC3)CC2 ZINC000657470363 414367483 /nfs/dbraw/zinc/36/74/83/414367483.db2.gz RIBNMABWFVZXLU-SNVBAGLBSA-N 2 0 257.341 1.200 10 0 CDAERP OC[C@@H]1CCC[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657494577 414393579 /nfs/dbraw/zinc/39/35/79/414393579.db2.gz CRGVISLXLQXRGB-KGLIPLIRSA-N 2 0 286.379 1.908 10 0 CDAERP C[C@H](C1CC1)N(C)C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000665638104 414322711 /nfs/dbraw/zinc/32/27/11/414322711.db2.gz YZHCRVRVUMFPFF-UONOGXRCSA-N 2 0 298.475 1.698 10 0 CDAERP Cn1ccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)n1 ZINC000657534767 414419739 /nfs/dbraw/zinc/41/97/39/414419739.db2.gz CYAJOEJUJCMMNC-UHFFFAOYSA-N 2 0 292.427 1.401 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CNC(=O)N(CC)[C@@H]2CC[NH+](C)C2)C1 ZINC000663787849 414463245 /nfs/dbraw/zinc/46/32/45/414463245.db2.gz LXWVEZHILFSMKZ-LSDHHAIUSA-N 2 0 296.459 1.454 10 0 CDAERP O[C@H](C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1)C1CCCCC1 ZINC000662151241 414539172 /nfs/dbraw/zinc/53/91/72/414539172.db2.gz GUQOTFMARQKSQH-DLBZAZTESA-N 2 0 296.455 1.459 10 0 CDAERP C[C@H](O)C[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CCCCC1 ZINC000662258412 414595899 /nfs/dbraw/zinc/59/58/99/414595899.db2.gz UMXQATNIJMOLKD-DZGCQCFKSA-N 2 0 282.428 1.523 10 0 CDAERP Cn1cncc1CCC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000662277745 414610058 /nfs/dbraw/zinc/61/00/58/414610058.db2.gz WQLBHZJAXHXDHB-HOCLYGCPSA-N 2 0 276.428 1.817 10 0 CDAERP O=C(CC[NH2+][C@H]1CCCC12CCCCC2)N1CC[NH2+]CC1 ZINC000662295457 414620853 /nfs/dbraw/zinc/62/08/53/414620853.db2.gz KASQYVAWFSDHDH-HNNXBMFYSA-N 2 0 293.455 1.901 10 0 CDAERP Cc1ccc([C@H](C)[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000038030904 174023489 /nfs/dbraw/zinc/02/34/89/174023489.db2.gz IRWDWRAYDDIHQT-AWEZNQCLSA-N 2 0 275.396 1.420 10 0 CDAERP CCCC1CCC([N@H+](C)CC(=O)N2CC[NH2+]CC2)CC1 ZINC000038030877 174024022 /nfs/dbraw/zinc/02/40/22/174024022.db2.gz ZHZBYWCATICVRB-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP O=C1CC[C@@H]2C[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)CC[C@H]2N1 ZINC000662306203 414628816 /nfs/dbraw/zinc/62/88/16/414628816.db2.gz PDIVWBINAWWKFE-NVXWUHKLSA-N 2 0 299.418 1.433 10 0 CDAERP C[NH+](C)CCCOC(=O)Nc1cccc(C[NH3+])c1 ZINC000040240414 174212979 /nfs/dbraw/zinc/21/29/79/174212979.db2.gz FCWCZUCSRORXET-UHFFFAOYSA-N 2 0 251.330 1.646 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)C[C@H]([NH3+])c2ccccc2)C1 ZINC000040503569 174300389 /nfs/dbraw/zinc/30/03/89/174300389.db2.gz GNQPGEJXTKWFNX-CABCVRRESA-N 2 0 275.396 1.677 10 0 CDAERP C[C@@H]1CCC[C@@H](C)C1[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508078 174303184 /nfs/dbraw/zinc/30/31/84/174303184.db2.gz CGRZUBJCUKVMBO-RBSFLKMASA-N 2 0 293.455 1.707 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000040624412 174356617 /nfs/dbraw/zinc/35/66/17/174356617.db2.gz PJJBAFYPEZBYMP-VGWMRTNUSA-N 2 0 293.455 1.754 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)C[C@@H]1CCCC[NH2+]1 ZINC000041681282 174604024 /nfs/dbraw/zinc/60/40/24/174604024.db2.gz KLDUHOBIUIRRCZ-STQMWFEESA-N 2 0 255.406 1.365 10 0 CDAERP CC[NH+]1CCC(N(C)c2nc3sccn3c2C[NH3+])CC1 ZINC000042681075 174835528 /nfs/dbraw/zinc/83/55/28/174835528.db2.gz BQEPJWXKDLRNSQ-UHFFFAOYSA-N 2 0 293.440 1.775 10 0 CDAERP C[C@@H]([NH3+])[C@H](c1ccccn1)N1CC[NH+](CC2CC2)CC1 ZINC000043340187 175014378 /nfs/dbraw/zinc/01/43/78/175014378.db2.gz QYIBVWXFKQCKSX-CZUORRHYSA-N 2 0 274.412 1.498 10 0 CDAERP CC[C@H]([NH3+])[C@H](c1ccncc1)N1CCC[N@H+](C)CC1 ZINC000043353169 175020203 /nfs/dbraw/zinc/02/02/03/175020203.db2.gz PGSTXRZVHNMRFL-GJZGRUSLSA-N 2 0 262.401 1.498 10 0 CDAERP C[N@H+](CCC[NH2+]CCCCO)Cc1ccccc1 ZINC000043445342 175047662 /nfs/dbraw/zinc/04/76/62/175047662.db2.gz MSCIXYAALRPRNX-UHFFFAOYSA-N 2 0 250.386 1.871 10 0 CDAERP C[NH2+][C@H](c1ccc(C)cc1)[C@H](C)N1CC[NH+](C)CC1 ZINC000043810524 175109624 /nfs/dbraw/zinc/10/96/24/175109624.db2.gz OJVPKMQTCVFFKF-HOCLYGCPSA-N 2 0 261.413 1.891 10 0 CDAERP CCC[NH2+][C@@H]1CCC[C@H]1N1CC[NH+](C2CC2)CC1 ZINC000043967775 175129182 /nfs/dbraw/zinc/12/91/82/175129182.db2.gz QDTJJMBODMBAIG-HUUCEWRRSA-N 2 0 251.418 1.687 10 0 CDAERP CC[NH+]1CCC(C[NH2+]CCC[NH+]2CCCC2)CC1 ZINC000044518435 175191163 /nfs/dbraw/zinc/19/11/63/175191163.db2.gz WGGUNZOBKGYHRJ-UHFFFAOYSA-N 3 0 253.434 1.794 10 0 CDAERP CC1CCC(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000044536334 175198783 /nfs/dbraw/zinc/19/87/83/175198783.db2.gz FRXNALNURRIMDT-VUROTCPHSA-N 2 0 298.471 1.874 10 0 CDAERP C[C@H]([NH3+])c1cccc(NC(=O)NC[C@H](C)[NH+](C)C)c1 ZINC000045114002 175311220 /nfs/dbraw/zinc/31/12/20/175311220.db2.gz NILJUPQZSXKFOY-QWRGUYRKSA-N 2 0 264.373 1.778 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](C[NH2+]CCOCC(F)(F)F)C1 ZINC000045134714 175312933 /nfs/dbraw/zinc/31/29/33/175312933.db2.gz CUMDCRACFKQJFG-LLVKDONJSA-N 2 0 268.323 1.885 10 0 CDAERP Cc1nn(C)c(C)c1[C@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC000045173295 175322234 /nfs/dbraw/zinc/32/22/34/175322234.db2.gz BJDFTVDRPCCFRF-LBPRGKRZSA-N 2 0 250.390 1.769 10 0 CDAERP C[NH2+][C@@](C)(CCCC[N@H+](C)CCc1ccccn1)C(N)=O ZINC000045371950 175364443 /nfs/dbraw/zinc/36/44/43/175364443.db2.gz FUCLRJRXUGMZCY-INIZCTEOSA-N 2 0 292.427 1.190 10 0 CDAERP OCC[NH+]1CCC(C[NH2+]CCc2cccs2)CC1 ZINC000069601462 175842736 /nfs/dbraw/zinc/84/27/36/175842736.db2.gz KIKHNDMVZLGYPG-UHFFFAOYSA-N 2 0 268.426 1.585 10 0 CDAERP CC(C)[NH2+][C@H]1CCCN([C@H](C[NH+](C)C)C(C)C)C1=O ZINC000071034290 176024400 /nfs/dbraw/zinc/02/44/00/176024400.db2.gz UWFJOBXJGLRTPB-UONOGXRCSA-N 2 0 269.433 1.562 10 0 CDAERP CC[NH2+][C@@H]1CCCN(CC[NH+](C(C)C)C(C)C)C1=O ZINC000071036169 176025432 /nfs/dbraw/zinc/02/54/32/176025432.db2.gz KHGJMGALTZWDFJ-CQSZACIVSA-N 2 0 269.433 1.706 10 0 CDAERP CC[C@@H]1CCC[C@H]([N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000071126377 176036053 /nfs/dbraw/zinc/03/60/53/176036053.db2.gz SHHUJNGMEFYGLB-ILXRZTDVSA-N 2 0 281.444 1.742 10 0 CDAERP CCC[NH2+][C@H](C)C1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000071182593 176057639 /nfs/dbraw/zinc/05/76/39/176057639.db2.gz JGWJWWDKHVURFL-TZMCWYRMSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@@H]([C@@H]([NH3+])c1ccccc1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188740 176063399 /nfs/dbraw/zinc/06/33/99/176063399.db2.gz VRYPPXZXXXNQMH-SQWLQELKSA-N 2 0 261.413 1.958 10 0 CDAERP CCC[NH2+]Cc1ccc(N(C)C[C@@H]2CC[N@H+](C)C2)nc1 ZINC000071191662 176072044 /nfs/dbraw/zinc/07/20/44/176072044.db2.gz FYVYTXJPYNQUCW-OAHLLOKOSA-N 2 0 276.428 1.969 10 0 CDAERP C[C@@H]([NH3+])c1cnc(N(C)C[C@@H]2CC[N@H+](C)C2)s1 ZINC000071192533 176074756 /nfs/dbraw/zinc/07/47/56/176074756.db2.gz WXJJSGTYCAXWTI-NXEZZACHSA-N 2 0 254.403 1.551 10 0 CDAERP COCCC[N@H+](CCOC)Cc1ccc(F)cc1C(N)=[NH2+] ZINC000071267859 176101927 /nfs/dbraw/zinc/10/19/27/176101927.db2.gz COQFVISFMVDCRE-UHFFFAOYSA-N 2 0 297.374 1.595 10 0 CDAERP CC[NH+]1CCC([C@@H](C)[NH2+]Cc2nccn2C)CC1 ZINC000071273166 176105245 /nfs/dbraw/zinc/10/52/45/176105245.db2.gz SZUPWGYYJRRKQL-GFCCVEGCSA-N 2 0 250.390 1.630 10 0 CDAERP C[N@H+](CCNC(=O)CC1CCC([NH3+])CC1)C1CCCC1 ZINC000071380127 176144232 /nfs/dbraw/zinc/14/42/32/176144232.db2.gz AUNNOZAVGGEYQO-UHFFFAOYSA-N 2 0 281.444 1.885 10 0 CDAERP CCN1CC[NH+](C[C@H](CC[NH3+])c2cc[nH]c2)CC1 ZINC000076655206 177045063 /nfs/dbraw/zinc/04/50/63/177045063.db2.gz WBEWKXBYBHBRIZ-AWEZNQCLSA-N 2 0 250.390 1.085 10 0 CDAERP CCN1CC[NH+](C[C@H](CC[NH3+])c2ccc[nH]2)CC1 ZINC000076655201 177045104 /nfs/dbraw/zinc/04/51/04/177045104.db2.gz OADFXOSYJYYOPX-ZDUSSCGKSA-N 2 0 250.390 1.085 10 0 CDAERP CCC[C@H](CC[NH3+])CCC(=O)N1CCC[NH2+]CC1 ZINC000079236562 177452798 /nfs/dbraw/zinc/45/27/98/177452798.db2.gz JONKIXLRVHZHGK-ZDUSSCGKSA-N 2 0 255.406 1.354 10 0 CDAERP C[NH+](C)C1CCN([C@@H]2CC(C)(C)CC[C@@H]2[NH3+])CC1 ZINC000079622220 177527667 /nfs/dbraw/zinc/52/76/67/177527667.db2.gz KBDLOOPXLWDQQL-UONOGXRCSA-N 2 0 253.434 1.918 10 0 CDAERP COc1ccc(OC)c(CN2CCCO[C@@H](C[NH3+])C2)c1 ZINC000313359635 260287403 /nfs/dbraw/zinc/28/74/03/260287403.db2.gz RXWMJTRZOMYRPW-AWEZNQCLSA-N 2 0 280.368 1.253 10 0 CDAERP COc1cc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc2c1OCCO2 ZINC000415046873 263258117 /nfs/dbraw/zinc/25/81/17/263258117.db2.gz VLVQWWHDACEQRC-WCQYABFASA-N 2 0 292.379 1.683 10 0 CDAERP C[C@@H](NC(=O)NCCC1(C[NH3+])CC1)C(C)(C)C[NH+](C)C ZINC000652165821 423986579 /nfs/dbraw/zinc/98/65/79/423986579.db2.gz BCDYURDUGLALAG-GFCCVEGCSA-N 2 0 284.448 1.391 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000652224725 424081455 /nfs/dbraw/zinc/08/14/55/424081455.db2.gz GQDFDOQYRJQQCS-HUUCEWRRSA-N 2 0 296.459 1.358 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)NC[C@H]([NH3+])C(C)C ZINC000652206293 424030168 /nfs/dbraw/zinc/03/01/68/424030168.db2.gz CXUZKPCSFHIJRS-AWEZNQCLSA-N 2 0 278.400 1.189 10 0 CDAERP CC(C)C[C@H](C[NH3+])NC(=O)NCCC[N@H+](C)CC(C)C ZINC000652208632 424037259 /nfs/dbraw/zinc/03/72/59/424037259.db2.gz KFNOIWGBJZBBOB-CQSZACIVSA-N 2 0 286.464 1.637 10 0 CDAERP CC(C)[NH2+]CC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000662398136 424039798 /nfs/dbraw/zinc/03/97/98/424039798.db2.gz PBUBXFLFNQBCCM-HNNXBMFYSA-N 2 0 277.412 1.274 10 0 CDAERP CCN(C(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1)C1CC1 ZINC000047970106 424051379 /nfs/dbraw/zinc/05/13/79/424051379.db2.gz WVCPIJBGWFBQFK-UHFFFAOYSA-N 2 0 293.455 1.805 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000519151171 265339505 /nfs/dbraw/zinc/33/95/05/265339505.db2.gz HJJBIXZDBMVJFZ-YWPYICTPSA-N 2 0 290.411 1.380 10 0 CDAERP C[C@H]1CC[C@H]([NH2+]CCCC[NH+]2CCN(C)CC2)CS1 ZINC000655688874 424392677 /nfs/dbraw/zinc/39/26/77/424392677.db2.gz OMCJJZKTECEJPI-GJZGRUSLSA-N 2 0 285.501 1.888 10 0 CDAERP CC[N@H+](C)C[C@H](O)CN[C@@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000653663779 424401766 /nfs/dbraw/zinc/40/17/66/424401766.db2.gz IZRSGLWZZGCTFW-ZACQAIPSSA-N 2 0 291.439 1.334 10 0 CDAERP CC[C@H]1CN(C(=O)NCC[C@@H]([NH3+])C(C)C)CC[C@H]1[NH3+] ZINC000659618594 424413448 /nfs/dbraw/zinc/41/34/48/424413448.db2.gz IZJTWFOUYOCHDH-YNEHKIRRSA-N 2 0 270.421 1.129 10 0 CDAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000309819299 424456370 /nfs/dbraw/zinc/45/63/70/424456370.db2.gz PALWDLYGYHQIOR-WMLDXEAASA-N 2 0 289.423 1.765 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCc2cc(N)ccc21 ZINC000665273035 424483562 /nfs/dbraw/zinc/48/35/62/424483562.db2.gz PFJOVXBAPSSWRE-HIFRSBDPSA-N 2 0 263.385 1.600 10 0 CDAERP CC1(C)CC[NH2+][C@H]1C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000662826555 424511986 /nfs/dbraw/zinc/51/19/86/424511986.db2.gz HJXQULDSHRHJPR-AVERBVTBSA-N 2 0 265.401 1.104 10 0 CDAERP CC(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001667441162 1173267835 /nfs/dbraw/zinc/26/78/35/1173267835.db2.gz UBFAXIHDIJSQSJ-KBPBESRZSA-N 2 0 269.433 1.467 10 0 CDAERP O=c1ccc([C@H]2CCC[N@@H+]2CC[C@H]2CC[NH2+]C2)n[nH]1 ZINC000530235475 271175883 /nfs/dbraw/zinc/17/58/83/271175883.db2.gz YPZFDNQCDTYUSP-DGCLKSJQSA-N 2 0 262.357 1.319 10 0 CDAERP Cl/C=C\C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530238713 271176935 /nfs/dbraw/zinc/17/69/35/271176935.db2.gz AYNPLLAKTDFNNS-RFMMKKFCSA-N 2 0 258.793 1.829 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171900863 276116044 /nfs/dbraw/zinc/11/60/44/276116044.db2.gz OIDNCGGWYRHLTC-ZIAGYGMSSA-N 2 0 282.432 1.206 10 0 CDAERP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCCC[C@@H]2C)CC1 ZINC000358566591 276149745 /nfs/dbraw/zinc/14/97/45/276149745.db2.gz GEGXKZBSUKMKEA-AWEZNQCLSA-N 2 0 281.444 1.851 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000227696681 276178016 /nfs/dbraw/zinc/17/80/16/276178016.db2.gz ORYDUWOWRKYZEF-GXTWGEPZSA-N 2 0 253.390 1.119 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@@H]2CNCC[C@H]2C)CC1 ZINC000422736570 276257268 /nfs/dbraw/zinc/25/72/68/276257268.db2.gz GOQHNBVVKKWHHI-UKRRQHHQSA-N 2 0 253.434 1.696 10 0 CDAERP C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@@H](C[NH3+])C3CCCC3)[C@H]2C1 ZINC000333791398 277140590 /nfs/dbraw/zinc/14/05/90/277140590.db2.gz GGCBFLIJQNEOPF-ILXRZTDVSA-N 2 0 294.443 1.240 10 0 CDAERP CNC(=O)C(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000368620283 277222163 /nfs/dbraw/zinc/22/21/63/277222163.db2.gz XWBQIJJWSGFZKF-JHJVBQTASA-N 2 0 267.417 1.221 10 0 CDAERP CC(C)C[NH+]1CCC(N[C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000422819997 277386600 /nfs/dbraw/zinc/38/66/00/277386600.db2.gz OTEAWGDZDKCMFD-DLBZAZTESA-N 2 0 295.471 1.463 10 0 CDAERP COc1cc2c(cc1OC)CC[NH+](CCC[NH3+])CC2 ZINC000414749397 277853195 /nfs/dbraw/zinc/85/31/95/277853195.db2.gz PSMPCWLESHFYDF-UHFFFAOYSA-N 2 0 264.369 1.453 10 0 CDAERP CS[C@@H]1CC[C@@H]1[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000425338099 278146982 /nfs/dbraw/zinc/14/69/82/278146982.db2.gz OSOLRTGIRSYUJV-MELADBBJSA-N 2 0 272.458 1.971 10 0 CDAERP CC[NH+](CC)CCCN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000191791268 279096502 /nfs/dbraw/zinc/09/65/02/279096502.db2.gz IFIKOODFZPXWEO-LSDHHAIUSA-N 2 0 253.434 1.887 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000417002312 279156591 /nfs/dbraw/zinc/15/65/91/279156591.db2.gz GDGXGZOKCIKEDX-RDBSUJKOSA-N 2 0 284.448 1.628 10 0 CDAERP CC[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000113580968 279261066 /nfs/dbraw/zinc/26/10/66/279261066.db2.gz ZGMLRGMPYYVCMM-ZFWWWQNUSA-N 2 0 294.443 1.349 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000367903432 279264633 /nfs/dbraw/zinc/26/46/33/279264633.db2.gz KSCXBGATSPTNCO-ARFHVFGLSA-N 2 0 293.455 1.851 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCCN2CCOCC2)[C@@H](C)C1 ZINC000245439081 280208642 /nfs/dbraw/zinc/20/86/42/280208642.db2.gz SNYLMUJYZZKRTF-HOTGVXAUSA-N 2 0 283.460 1.371 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCCN2CCOCC2)[C@@H](C)C1 ZINC000245439085 280208713 /nfs/dbraw/zinc/20/87/13/280208713.db2.gz SNYLMUJYZZKRTF-JKSUJKDBSA-N 2 0 283.460 1.371 10 0 CDAERP C[NH+](CCCC[N@@H+](C)C[C@H]1CCCO1)C[C@H]1CCCO1 ZINC000246412863 280278585 /nfs/dbraw/zinc/27/85/85/280278585.db2.gz QQWRMMIKFDCUNC-HZPDHXFCSA-N 2 0 284.444 1.988 10 0 CDAERP CCOCC[N@@H+]1CCN(CC[NH+]2CCC(C)CC2)C[C@H]1C ZINC000246837850 280306306 /nfs/dbraw/zinc/30/63/06/280306306.db2.gz STPZSJMLPBZZIG-QGZVFWFLSA-N 2 0 297.487 1.761 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CCC[NH+](C)C2)C1 ZINC000247115032 280320102 /nfs/dbraw/zinc/32/01/02/280320102.db2.gz KZQHPMWADMDLNC-KGLIPLIRSA-N 2 0 282.432 1.112 10 0 CDAERP CC(C)[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cccnc1 ZINC000359319977 280324931 /nfs/dbraw/zinc/32/49/31/280324931.db2.gz JRQKYHMYFTWYGK-HNNXBMFYSA-N 2 0 277.412 1.825 10 0 CDAERP C[C@@H]1C[N@@H+]([C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C[C@@]1(C)C[NH3+] ZINC000415062070 288249067 /nfs/dbraw/zinc/24/90/67/288249067.db2.gz XVZGKESYCYHIBM-LYYZXLFJSA-N 3 0 265.445 1.824 10 0 CDAERP CCN(CC[NH2+]CC1CC1)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001668477620 1173417481 /nfs/dbraw/zinc/41/74/81/1173417481.db2.gz GOVQNLZSRBPBOA-INIZCTEOSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1CC[C@@H]1CCC[NH2+]C1 ZINC000251883656 288298228 /nfs/dbraw/zinc/29/82/28/288298228.db2.gz UZMLWSJWBWIXRB-PMPSAXMXSA-N 2 0 265.445 1.935 10 0 CDAERP CCN(CC[NH2+]C[C@H](C)OC)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001668652228 1173435929 /nfs/dbraw/zinc/43/59/29/1173435929.db2.gz JXANSTMZSAGKPQ-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@@]1(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)CC[NH2+]C1 ZINC000261941875 289163595 /nfs/dbraw/zinc/16/35/95/289163595.db2.gz DUORBAUVCUXXPA-LSDHHAIUSA-N 3 0 251.418 1.450 10 0 CDAERP C[C@@]1(CN2CC[NH+](C3CCCCC3)CC2)CC[NH2+]C1 ZINC000261890559 289164599 /nfs/dbraw/zinc/16/45/99/289164599.db2.gz TVWRQPCCXSOTGI-MRXNPFEDSA-N 2 0 265.445 1.936 10 0 CDAERP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000262464048 289779419 /nfs/dbraw/zinc/77/94/19/289779419.db2.gz WVAPENQFEVBXPJ-AHDPXTMNSA-N 2 0 279.428 1.493 10 0 CDAERP C[N@@H+]1CCN2CCN(C3CC(C)(C)[NH2+]C(C)(C)C3)C[C@H]2C1 ZINC000065384967 290060753 /nfs/dbraw/zinc/06/07/53/290060753.db2.gz VQWGKCNRNJFZOV-OAHLLOKOSA-N 2 0 294.487 1.227 10 0 CDAERP CC/C=C/CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001668745362 1173453902 /nfs/dbraw/zinc/45/39/02/1173453902.db2.gz FDLPQRXXIQCAHW-INRFERCQSA-N 2 0 279.428 1.699 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)[C@@H]2CCC[C@H]21 ZINC000453323714 290217853 /nfs/dbraw/zinc/21/78/53/290217853.db2.gz BHXXHSIQKDHZNL-BQJWPVKWSA-N 2 0 293.455 1.312 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000422853775 290389214 /nfs/dbraw/zinc/38/92/14/290389214.db2.gz CGQLSMFRUCITAQ-ILXRZTDVSA-N 2 0 253.434 1.839 10 0 CDAERP CCC[C@H](C(=O)NC[C@H](C)C[NH+]1CCCC1)[NH+](C)C ZINC000161663202 292810743 /nfs/dbraw/zinc/81/07/43/292810743.db2.gz BHIMLIZSCFLFCG-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP COC[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)OC ZINC000353674225 293108599 /nfs/dbraw/zinc/10/85/99/293108599.db2.gz TXXKJJPQHHFHFL-DGAVXFQQSA-N 2 0 256.390 1.110 10 0 CDAERP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000564948636 293467546 /nfs/dbraw/zinc/46/75/46/293467546.db2.gz UHCLKFRZGHZGMA-UHIISALHSA-N 2 0 261.369 1.434 10 0 CDAERP C[C@H](NCC[NH+]1CCCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000573315708 294793040 /nfs/dbraw/zinc/79/30/40/294793040.db2.gz URYMXKQTWRTNFD-LSDHHAIUSA-N 2 0 253.434 1.840 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000574988111 295084844 /nfs/dbraw/zinc/08/48/44/295084844.db2.gz JRXOBTOAYDHDCL-ZNMIVQPWSA-N 2 0 279.428 1.319 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC1(CF)CCOCC1 ZINC000423146896 295248398 /nfs/dbraw/zinc/24/83/98/295248398.db2.gz BOYRIIYPBHISMA-STQMWFEESA-N 2 0 258.381 1.860 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000416795470 297109012 /nfs/dbraw/zinc/10/90/12/297109012.db2.gz TYIJGPXSJLKSEI-DGCLKSJQSA-N 2 0 296.459 1.593 10 0 CDAERP C[C@H](C[NH2+]CC[C@@H]1CCCO1)NC(=O)C[N@H+](C)C1CCC1 ZINC001669316864 1173535343 /nfs/dbraw/zinc/53/53/43/1173535343.db2.gz BAVURQUQLUWMCE-HIFRSBDPSA-N 2 0 297.443 1.134 10 0 CDAERP [NH3+]CCN(CCc1ccccc1)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000261830570 303381330 /nfs/dbraw/zinc/38/13/30/303381330.db2.gz YZTBJQBFCNURSD-HZPDHXFCSA-N 2 0 289.423 1.534 10 0 CDAERP [NH3+]C[C@@H](C(=O)N1CCC2(CC[NH2+]2)CC1)c1ccccc1 ZINC000335405267 303390766 /nfs/dbraw/zinc/39/07/66/303390766.db2.gz FJFQQIKHRBFCLJ-CQSZACIVSA-N 2 0 273.380 1.083 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@H](C)NC(=O)CCc1cncn1C ZINC001669728723 1173591042 /nfs/dbraw/zinc/59/10/42/1173591042.db2.gz NXSBPLZJBOYPTG-NEPJUHHUSA-N 2 0 284.379 1.195 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@](C)(C[NH2+]CCF)C1 ZINC001671752259 1173709505 /nfs/dbraw/zinc/70/95/05/1173709505.db2.gz GSOYIXDCSLPLNB-HIFRSBDPSA-N 2 0 285.407 1.268 10 0 CDAERP CC(C)(C)[NH2+]CCN1CCc2ccccc2[C@@H]1C[NH3+] ZINC000563887263 316390607 /nfs/dbraw/zinc/39/06/07/316390607.db2.gz FLVLBWCFMUDIKF-HNNXBMFYSA-N 2 0 261.413 1.933 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000575850763 317025087 /nfs/dbraw/zinc/02/50/87/317025087.db2.gz YBEBMTITLYBTEX-HIFRSBDPSA-N 3 0 285.395 1.793 10 0 CDAERP Nc1ncc(CNCCC[NH2+]Cc2cccnc2)s1 ZINC000575868860 317029559 /nfs/dbraw/zinc/02/95/59/317029559.db2.gz OCVJTKAMBSDYPC-UHFFFAOYSA-N 2 0 277.397 1.220 10 0 CDAERP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000575914953 317037045 /nfs/dbraw/zinc/03/70/45/317037045.db2.gz ZOTFHHRYQDJMQO-BACDZXNISA-N 3 0 294.487 1.452 10 0 CDAERP C[C@@H]1CCC[C@H](CC[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC000576271441 317107623 /nfs/dbraw/zinc/10/76/23/317107623.db2.gz AQIGORIACRYUJY-BRWVUGGUSA-N 2 0 297.487 1.401 10 0 CDAERP CC[NH2+]Cc1ccccc1NC(=O)[C@@H]([NH3+])CCC(=O)OC ZINC000578651881 323990122 /nfs/dbraw/zinc/99/01/22/323990122.db2.gz NPIXTEZEWOABIS-LBPRGKRZSA-N 2 0 293.367 1.015 10 0 CDAERP CC[N@@H+]1CC[C@H]2OCCN(CC[C@H]3CCC[NH+]3C)[C@H]2C1 ZINC000579263018 324145886 /nfs/dbraw/zinc/14/58/86/324145886.db2.gz CILUGZPKOPMOHI-OWCLPIDISA-N 2 0 281.444 1.266 10 0 CDAERP CC(C)[NH2+]CCCNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000583074191 325100032 /nfs/dbraw/zinc/10/00/32/325100032.db2.gz NRWDSHKGLXMYGH-AWEZNQCLSA-N 2 0 280.416 1.030 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CC[NH2+]CCC2CC2)C1 ZINC001267416081 1159374109 /nfs/dbraw/zinc/37/41/09/1159374109.db2.gz BWPXZRZHCCNBAF-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP CCC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CCC(C)C ZINC001481132633 1159539689 /nfs/dbraw/zinc/53/96/89/1159539689.db2.gz UXUPIOBZJRIUPM-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP C[NH+](C)Cc1cc(CNC(=O)[C@@H]2CC[N@H+](C)C2)ccc1F ZINC000604342939 482488435 /nfs/dbraw/zinc/48/84/35/482488435.db2.gz BVMZYNLKCNFHHU-CYBMUJFWSA-N 2 0 293.386 1.455 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)CC(C)(C)[NH3+])CC1 ZINC000236758707 482609827 /nfs/dbraw/zinc/60/98/27/482609827.db2.gz LOXOILLACVTDDZ-UHFFFAOYSA-N 2 0 255.406 1.352 10 0 CDAERP CC[N@H+](CCNC(=O)NC/C=C/C[NH3+])CCC(F)(F)F ZINC000669569988 482723493 /nfs/dbraw/zinc/72/34/93/482723493.db2.gz KCLDCEDTQFVQLZ-ONEGZZNKSA-N 2 0 296.337 1.075 10 0 CDAERP C[C@H]1C[C@@H](N(C)C(=O)C2([NH3+])CCCC2)CC[N@@H+]1C ZINC000237527453 482726222 /nfs/dbraw/zinc/72/62/22/482726222.db2.gz QNSPFNHCWKYSKV-RYUDHWBXSA-N 2 0 253.390 1.199 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CC1([NH3+])CCC1 ZINC000094295767 482778861 /nfs/dbraw/zinc/77/88/61/482778861.db2.gz SPSMWRGXAZQJPZ-GFCCVEGCSA-N 2 0 253.390 1.201 10 0 CDAERP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1C[C@H]1C ZINC000666089957 482906297 /nfs/dbraw/zinc/90/62/97/482906297.db2.gz BPBDSGZMBICENF-HOSILWTGSA-N 2 0 265.445 1.789 10 0 CDAERP O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000243532098 482927860 /nfs/dbraw/zinc/92/78/60/482927860.db2.gz ODZKPJHIMAWVFU-KBPBESRZSA-N 2 0 279.428 1.509 10 0 CDAERP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccccc1-n1cncn1 ZINC000666879585 482959834 /nfs/dbraw/zinc/95/98/34/482959834.db2.gz CECJCUAZCKXDPD-GXTWGEPZSA-N 2 0 271.368 1.355 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089458315 483079447 /nfs/dbraw/zinc/07/94/47/483079447.db2.gz LTMSMHTWMJDNLY-HIFRSBDPSA-N 2 0 281.444 1.694 10 0 CDAERP C[C@H]([NH2+]CCc1nnnn1C)c1ccc(-n2ccnc2)cc1 ZINC000678546677 483109166 /nfs/dbraw/zinc/10/91/66/483109166.db2.gz JDAMLYUWPRIKIE-LBPRGKRZSA-N 2 0 297.366 1.289 10 0 CDAERP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000252599366 483117167 /nfs/dbraw/zinc/11/71/67/483117167.db2.gz KSCMRAWQGPJZOA-AEGPPILISA-N 2 0 275.396 1.404 10 0 CDAERP O=C(C[C@H]1CC[NH2+]C1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000089745392 483129554 /nfs/dbraw/zinc/12/95/54/483129554.db2.gz NXAOBOQXDITZCK-KGLIPLIRSA-N 2 0 265.401 1.073 10 0 CDAERP C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1nccn1C ZINC000667255652 483182167 /nfs/dbraw/zinc/18/21/67/483182167.db2.gz VHMVNQRHFFOMCG-AVGNSLFASA-N 2 0 293.415 1.605 10 0 CDAERP OCC[N@@H+]1CCCN(c2cc[nH+]c3c(O)cccc23)CC1 ZINC000682239689 483184999 /nfs/dbraw/zinc/18/49/99/483184999.db2.gz DIZWCCHSCPWQTI-UHFFFAOYSA-N 2 0 287.363 1.445 10 0 CDAERP CCC[NH+]1CCC([NH2+][C@H]2CCC[C@H](C(N)=O)C2)CC1 ZINC000675893190 483377782 /nfs/dbraw/zinc/37/77/82/483377782.db2.gz AGEGCUPQOCCIRW-JSGCOSHPSA-N 2 0 267.417 1.495 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)NCCC[NH+]1CCCCC1 ZINC000136310573 483388917 /nfs/dbraw/zinc/38/89/17/483388917.db2.gz DHFYHHBZGUWDFI-ZDUSSCGKSA-N 2 0 255.406 1.352 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000136408941 483402205 /nfs/dbraw/zinc/40/22/05/483402205.db2.gz GMAQVEIKIZFVJB-HNNXBMFYSA-N 2 0 281.444 1.837 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)C[C@@H]([NH3+])C(C)C)CC1 ZINC000136408300 483402266 /nfs/dbraw/zinc/40/22/66/483402266.db2.gz LXXFEUPICCQXFZ-OAHLLOKOSA-N 2 0 283.460 1.940 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000136457043 483404787 /nfs/dbraw/zinc/40/47/87/483404787.db2.gz DMSHZHMFUMVRNK-QWHCGFSZSA-N 2 0 255.406 1.208 10 0 CDAERP COCCC[NH+]1CCC([NH2+][C@@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667827019 483451987 /nfs/dbraw/zinc/45/19/87/483451987.db2.gz LSOUUYKCBSZXRT-JKSUJKDBSA-N 2 0 282.428 1.644 10 0 CDAERP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H]3CO[C@H](C4CC4)C3)C2)CC1 ZINC000667860305 483462766 /nfs/dbraw/zinc/46/27/66/483462766.db2.gz LUCSTUPTURXEQH-UXLLHSPISA-N 2 0 293.455 1.312 10 0 CDAERP C[C@@H]([NH2+]C[C@H](C)CO)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000680401343 483610766 /nfs/dbraw/zinc/61/07/66/483610766.db2.gz TXUYDKYOCRDZJK-BFHYXJOUSA-N 2 0 254.418 1.857 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000055088818 519716074 /nfs/dbraw/zinc/71/60/74/519716074.db2.gz WRQLGQRYQBEOGE-UONOGXRCSA-N 2 0 269.433 1.550 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)[C@H](C)C[NH2+]CC)CC1 ZINC000061266332 519844017 /nfs/dbraw/zinc/84/40/17/519844017.db2.gz OADKXSJAIIKQIA-CYBMUJFWSA-N 2 0 269.433 1.565 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@H](C[NH+]2CCC(C[NH+](C)C)CC2)O1 ZINC000052515436 519955004 /nfs/dbraw/zinc/95/50/04/519955004.db2.gz GIDBAYYOUOOEIT-JKSUJKDBSA-N 3 0 283.460 1.417 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2cn[nH]c2)[C@@H](C)C1 ZINC000459377982 1161159400 /nfs/dbraw/zinc/15/94/00/1161159400.db2.gz NTXAPSALVLIGSU-GXTWGEPZSA-N 2 0 250.390 1.614 10 0 CDAERP CCO[C@@H]1CCC[N@H+](Cc2ccoc2C[NH2+]C)C1 ZINC000052372181 520320542 /nfs/dbraw/zinc/32/05/42/520320542.db2.gz DBMYBEPUBFPJFA-CYBMUJFWSA-N 2 0 252.358 2.000 10 0 CDAERP CC(C)[NH+]1CCC([C@@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001486440705 1161455794 /nfs/dbraw/zinc/45/57/94/1161455794.db2.gz YDHLVEOSVIJNNG-LSDHHAIUSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCCF)C1 ZINC001714416568 1179130101 /nfs/dbraw/zinc/13/01/01/1179130101.db2.gz AWEAKEBFEOGMEJ-ZIAGYGMSSA-N 2 0 287.423 1.703 10 0 CDAERP C([C@@H]1CC[NH2+]C1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062031680 518402090 /nfs/dbraw/zinc/40/20/90/518402090.db2.gz WQIBUZDXEJGGKB-OAHLLOKOSA-N 3 0 251.418 1.404 10 0 CDAERP CC(C)[NH+](CCNC(=O)[C@@H]1CCC[C@H](C[NH3+])C1)C(C)C ZINC000055146196 519647356 /nfs/dbraw/zinc/64/73/56/519647356.db2.gz DDHVXNDRIOFOKU-LSDHHAIUSA-N 2 0 283.460 1.987 10 0 CDAERP CC(C)[NH2+]CCCCC[NH+]1CCN(C2CC2)CC1 ZINC000052371375 519720670 /nfs/dbraw/zinc/72/06/70/519720670.db2.gz GIKRQCNYYQJNNV-UHFFFAOYSA-N 2 0 253.434 1.935 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CC[C@H](C[N@@H+]2CCCSCC2)O1 ZINC000052371153 519724045 /nfs/dbraw/zinc/72/40/45/519724045.db2.gz RPMGUSVGZUAHBU-UONOGXRCSA-N 2 0 272.458 1.971 10 0 CDAERP CC(C)C[NH+]1CCN(Cc2ccc(C(N)=[NH2+])cc2)CC1 ZINC000055079669 519726831 /nfs/dbraw/zinc/72/68/31/519726831.db2.gz GHYIQYAKVZFBBH-UHFFFAOYSA-N 2 0 274.412 1.744 10 0 CDAERP CC(C)[NH2+][C@@](C)(CO)CCN1CC[NH+](C2CCCC2)CC1 ZINC000070335251 519735919 /nfs/dbraw/zinc/73/59/19/519735919.db2.gz RAEKOYRIJFHCMI-QGZVFWFLSA-N 2 0 297.487 1.686 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)N[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000049197931 519814835 /nfs/dbraw/zinc/81/48/35/519814835.db2.gz DBOMSNSNLZMZTG-TUVASFSCSA-N 2 0 255.450 1.891 10 0 CDAERP CCC1(C[NH2+][C@H]2CCN(C3CC3)C2)CC[NH2+]CC1 ZINC000062851060 519843377 /nfs/dbraw/zinc/84/33/77/519843377.db2.gz FNXZRZWTNXRZEA-ZDUSSCGKSA-N 2 0 251.418 1.593 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@H]2C[C@@H]([NH3+])CC[C@@H]2C)CC1 ZINC000055141542 519846227 /nfs/dbraw/zinc/84/62/27/519846227.db2.gz XHMSICKFIOSLRJ-YDHLFZDLSA-N 2 0 281.444 1.741 10 0 CDAERP CCC[NH+]1CCN(Cc2cc(C[NH3+])oc2C)CC1 ZINC000052421922 519858597 /nfs/dbraw/zinc/85/85/97/519858597.db2.gz ZKPRXTWBLUCBHX-UHFFFAOYSA-N 2 0 251.374 1.574 10 0 CDAERP CCC[NH+]1CCN(c2ncc(C[NH2+]CC)s2)CC1 ZINC000054899157 519860742 /nfs/dbraw/zinc/86/07/42/519860742.db2.gz ZFOLHSKUIVFJRG-UHFFFAOYSA-N 2 0 268.430 1.785 10 0 CDAERP CCC[NH2+]C1CCN([C@@H]2CCC[N@H+](CC)C2)CC1 ZINC000049216629 519906563 /nfs/dbraw/zinc/90/65/63/519906563.db2.gz RAOMWSCHJKUBIF-OAHLLOKOSA-N 2 0 253.434 1.935 10 0 CDAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)N(C)C ZINC000054629038 519910634 /nfs/dbraw/zinc/91/06/34/519910634.db2.gz JJUAXXGKIDEWPY-YHWZYXNKSA-N 2 0 253.390 1.070 10 0 CDAERP CC[NH2+]C[C@H](CC)N1CC[NH+](C2CCCC2)CC1 ZINC000052573461 519971657 /nfs/dbraw/zinc/97/16/57/519971657.db2.gz PVDHZBMCXXVYDL-AWEZNQCLSA-N 2 0 253.434 1.935 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@@H](COCC[C@@H]2CCC[N@@H+]2C)O1 ZINC000052673629 519980106 /nfs/dbraw/zinc/98/01/06/519980106.db2.gz KLICWLGUOGZLSZ-ZNMIVQPWSA-N 2 0 270.417 1.644 10 0 CDAERP CC[NH2+][C@@](C)(C[C@H](C)[N@H+](C)CC1CC[NH+](C)CC1)C(=O)[O-] ZINC000068646423 520141136 /nfs/dbraw/zinc/14/11/36/520141136.db2.gz SDHXJWWLKTUWDG-BBRMVZONSA-N 2 0 299.459 1.491 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000061274860 520164430 /nfs/dbraw/zinc/16/44/30/520164430.db2.gz DVVOICFGAHTFPP-OLZOCXBDSA-N 2 0 255.406 1.317 10 0 CDAERP CC[NH2+][C@H](CC[NH+]1CCC(C[NH+]2CCCC2)CC1)C(=O)[O-] ZINC000062533822 520189222 /nfs/dbraw/zinc/18/92/22/520189222.db2.gz XFBLQZOVMQQYPD-OAHLLOKOSA-N 2 0 297.443 1.247 10 0 CDAERP CCCCC[C@@H](C)[NH2+]CCN1CCN(CC[NH+](C)C)CC1 ZINC000061655297 520287137 /nfs/dbraw/zinc/28/71/37/520287137.db2.gz HKAOXIHBMDZDQZ-QGZVFWFLSA-N 2 0 298.519 1.724 10 0 CDAERP CCCCC[C@@H](C[NH3+])N1CCN(CC[NH+](C)C)CC1 ZINC000061643218 520290930 /nfs/dbraw/zinc/29/09/30/520290930.db2.gz SVSQGFJUPRXBTC-HNNXBMFYSA-N 2 0 270.465 1.073 10 0 CDAERP CCC[C@@H](C)[N@H+](C)CCn1cc(C[NH2+]C(C)C)nn1 ZINC000052480664 520646974 /nfs/dbraw/zinc/64/69/74/520646974.db2.gz JVAJDDXDISZYIT-CYBMUJFWSA-N 2 0 267.421 1.897 10 0 CDAERP CC[NH+](CC)CCN1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000157969399 520664134 /nfs/dbraw/zinc/66/41/34/520664134.db2.gz RSWNZYXAGQTOGY-HNNXBMFYSA-N 2 0 283.460 1.513 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)c1c[nH+]c(NN)c(Cl)c1 ZINC000051117118 520733247 /nfs/dbraw/zinc/73/32/47/520733247.db2.gz RKIFRXYWOOBVQG-VIFPVBQESA-N 2 0 299.806 1.481 10 0 CDAERP CCOC(=O)C[C@@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063200304 520823772 /nfs/dbraw/zinc/82/37/72/520823772.db2.gz HBIQPEYVEZBIEA-OCCSQVGLSA-N 2 0 268.401 1.792 10 0 CDAERP CCC[C@@H]1CC[C@H]([NH3+])[C@H](N2CCN(CC[NH+](C)C)CC2)C1 ZINC000061643857 520829186 /nfs/dbraw/zinc/82/91/86/520829186.db2.gz FTCVRYLHZNFTJN-IXDOHACOSA-N 2 0 296.503 1.462 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000227794732 520842363 /nfs/dbraw/zinc/84/23/63/520842363.db2.gz OEGYPLJUCHMAOB-JHJVBQTASA-N 2 0 253.390 1.057 10 0 CDAERP CC1CC[NH+](CCNC(=O)[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000055089398 521014896 /nfs/dbraw/zinc/01/48/96/521014896.db2.gz CKTAPWXJLWJIAC-KBPBESRZSA-N 2 0 267.417 1.352 10 0 CDAERP CC[N@H+](CCC[C@H]1CCC[NH2+]1)CC(=O)NC(C)C ZINC000052764479 521043953 /nfs/dbraw/zinc/04/39/53/521043953.db2.gz NKAUFPKTXPCYRS-CYBMUJFWSA-N 2 0 255.406 1.365 10 0 CDAERP CC[N@H+](C[C@@H]1CCCO1)CC1(C[NH3+])CCOCC1 ZINC000052182554 521227072 /nfs/dbraw/zinc/22/70/72/521227072.db2.gz OKGYDGWWHLPMDI-ZDUSSCGKSA-N 2 0 256.390 1.243 10 0 CDAERP CC[NH+]1CCC(N(C)c2ncc(C[NH3+])s2)CC1 ZINC000054897680 521569504 /nfs/dbraw/zinc/56/95/04/521569504.db2.gz UWLVMECUNZXDJR-UHFFFAOYSA-N 2 0 254.403 1.522 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)NCC[NH+](C(C)C)C(C)C)C1 ZINC000052498554 521645562 /nfs/dbraw/zinc/64/55/62/521645562.db2.gz OZMUAIYXVORWJI-HNNXBMFYSA-N 2 0 298.475 1.889 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]([NH3+])CC[C@@H]1C ZINC000055139762 521655765 /nfs/dbraw/zinc/65/57/65/521655765.db2.gz DYXBWCFINAHVDJ-BFHYXJOUSA-N 2 0 269.433 1.550 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CSCC[NH2+]2)[C@@H](C)C1 ZINC000236905422 521718076 /nfs/dbraw/zinc/71/80/76/521718076.db2.gz GEDHUYKIAUIZOM-MJBXVCDLSA-N 2 0 299.484 1.270 10 0 CDAERP CN(CC[NH+](C)C)c1nc(C2CC2)c(C[NH3+])s1 ZINC000069183142 521748267 /nfs/dbraw/zinc/74/82/67/521748267.db2.gz WAJJIGYCQRAKRY-UHFFFAOYSA-N 2 0 254.403 1.477 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)C1(C[NH3+])CCCC1 ZINC000061644045 521861043 /nfs/dbraw/zinc/86/10/43/521861043.db2.gz GRZUPLLVIMOPFK-GFCCVEGCSA-N 2 0 253.390 1.058 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1CCOc1cccc(C[NH3+])c1 ZINC000061642582 521868651 /nfs/dbraw/zinc/86/86/51/521868651.db2.gz KCVJXHPRLOTLHD-OAHLLOKOSA-N 2 0 277.412 1.550 10 0 CDAERP C[NH+](C)[C@H]1CCN(c2nc(C3CC3)c(C[NH3+])s2)C1 ZINC000069182574 522105693 /nfs/dbraw/zinc/10/56/93/522105693.db2.gz YROZDTUFLKIVEJ-JTQLQIEISA-N 2 0 266.414 1.620 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)CC[C@@H]2CCCC[NH2+]2)CC1 ZINC000055078198 522109984 /nfs/dbraw/zinc/10/99/84/522109984.db2.gz WSXDPFFDESMWOG-CABCVRRESA-N 2 0 281.444 1.851 10 0 CDAERP C[NH2+]Cc1ccc(OCC[N@H+](C)C2CCOCC2)cc1 ZINC000052481193 522122101 /nfs/dbraw/zinc/12/21/01/522122101.db2.gz QIZQPKDJXFVQOZ-UHFFFAOYSA-N 2 0 278.396 1.896 10 0 CDAERP C[NH2+]Cc1ccccc1OCCOCCC[NH+](C)C ZINC000052672448 522139734 /nfs/dbraw/zinc/13/97/34/522139734.db2.gz ACKMRZNIJBDNSF-UHFFFAOYSA-N 2 0 266.385 1.753 10 0 CDAERP C[NH2+][C@@H]1c2ccccc2C[C@H]1N1CC[C@H]([NH+](C)C)C1 ZINC000062965026 522404095 /nfs/dbraw/zinc/40/40/95/522404095.db2.gz QCHXCSXMQBVIBK-NUEKZKHPSA-N 2 0 259.397 1.508 10 0 CDAERP C[NH2+][C@H]1CCCC[C@@H]1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062979225 522490012 /nfs/dbraw/zinc/49/00/12/522490012.db2.gz MWSHILHIZDZYIQ-KKUMJFAQSA-N 2 0 251.418 1.687 10 0 CDAERP C[N@@H+](Cc1ccnc(C(N)=[NH2+])c1)C[C@@H]1CCCOC1 ZINC000068762061 523450960 /nfs/dbraw/zinc/45/09/60/523450960.db2.gz BDLKOJLMXPVABD-LBPRGKRZSA-N 2 0 262.357 1.224 10 0 CDAERP COCC[NH+](CCOC)Cc1cc(C[NH3+])oc1C ZINC000052571433 523717987 /nfs/dbraw/zinc/71/79/87/523717987.db2.gz KPGRMRBWFMPWLL-UHFFFAOYSA-N 2 0 256.346 1.142 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCNC[C@@H]1CC[NH+](C2CC2)C1 ZINC000052205667 523797861 /nfs/dbraw/zinc/79/78/61/523797861.db2.gz ZYFXCYZOAONRAH-GJZGRUSLSA-N 2 0 265.445 1.935 10 0 CDAERP C[N@@H+]1CCC[C@@H](CNC(=O)c2c[nH+]c(NN)c(Cl)c2)C1 ZINC000051114244 523815872 /nfs/dbraw/zinc/81/58/72/523815872.db2.gz HSLFPJHONHPURF-VIFPVBQESA-N 2 0 297.790 1.092 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)[C@@](C)([NH3+])c2ccccc2)C1 ZINC000052882620 523817781 /nfs/dbraw/zinc/81/77/81/523817781.db2.gz MJEMXUVVEUXMKN-HIFRSBDPSA-N 2 0 261.369 1.071 10 0 CDAERP CN(C(=O)[C@H]1CCC[C@@H](C[NH3+])C1)C1CC[NH+](C)CC1 ZINC000055145644 523908293 /nfs/dbraw/zinc/90/82/93/523908293.db2.gz GNUKXSZCHOMKJN-OLZOCXBDSA-N 2 0 267.417 1.304 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000055077737 523948140 /nfs/dbraw/zinc/94/81/40/523948140.db2.gz SYKIAAJXGDAXQZ-STQMWFEESA-N 2 0 253.390 1.071 10 0 CDAERP CC[C@H](C)[NH+]1CCN([C@H]2CC3(CC[C@@H]2[NH3+])OCCO3)CC1 ZINC000055065425 523958971 /nfs/dbraw/zinc/95/89/71/523958971.db2.gz DYKBIHMNAQVGIT-KKUMJFAQSA-N 2 0 297.443 1.025 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000069052691 523978966 /nfs/dbraw/zinc/97/89/66/523978966.db2.gz KREMSASXJYSIFH-LBPRGKRZSA-N 2 0 259.353 1.223 10 0 CDAERP C[NH+](C)C1CC[NH+](CCC[C@@H]2CCCC[NH2+]2)CC1 ZINC000050952740 524039472 /nfs/dbraw/zinc/03/94/72/524039472.db2.gz FZGKXMWXWOALCR-AWEZNQCLSA-N 3 0 253.434 1.935 10 0 CDAERP C[NH+](C)CCCCNC(=O)[C@@H]1CCC[C@H](CC[NH3+])C1 ZINC000055162590 524052426 /nfs/dbraw/zinc/05/24/26/524052426.db2.gz AWNQZTPVEKVJIA-ZIAGYGMSSA-N 2 0 269.433 1.600 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)c1c[nH+]c(NN)c(Cl)c1 ZINC000051120713 524163153 /nfs/dbraw/zinc/16/31/53/524163153.db2.gz LWHYVMPVLQKUMW-MRVPVSSYSA-N 2 0 285.779 1.091 10 0 CDAERP C[C@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000061656203 524204339 /nfs/dbraw/zinc/20/43/39/524204339.db2.gz RBKATYHKPXQZBN-RFQIPJPRSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@H]1C[N@@H+](C2CCN(CCC[NH+]3CCCC3)CC2)CCO1 ZINC000161751606 524574628 /nfs/dbraw/zinc/57/46/28/524574628.db2.gz IEMCALWVGZMLFX-INIZCTEOSA-N 2 0 295.471 1.657 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccco1)N1CCC[C@@H]1C[NH+](C)C ZINC000061655053 524743983 /nfs/dbraw/zinc/74/39/83/524743983.db2.gz ZZQQZFBIMRSRAV-UONOGXRCSA-N 2 0 265.401 1.784 10 0 CDAERP C[C@@H](C[NH2+]Cc1cccs1)N1CC[C@H]([NH+](C)C)C1 ZINC000062974017 524744454 /nfs/dbraw/zinc/74/44/54/524744454.db2.gz YNSOZUDHQGTYFC-STQMWFEESA-N 2 0 267.442 1.862 10 0 CDAERP C[C@H]([NH3+])c1ccc(S(=O)(=O)N[C@@H](C)CC[NH+](C)C)cc1 ZINC000049560571 524867301 /nfs/dbraw/zinc/86/73/01/524867301.db2.gz QLHHLWOTWQLDTD-RYUDHWBXSA-N 2 0 299.440 1.325 10 0 CDAERP C[C@H](c1ccc(N)cc1)[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061642309 526064547 /nfs/dbraw/zinc/06/45/47/526064547.db2.gz IABBBDKHTLOMPJ-CQSZACIVSA-N 2 0 276.428 1.509 10 0 CDAERP Cc1nocc1C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000339246160 526690210 /nfs/dbraw/zinc/69/02/10/526690210.db2.gz AJUZYRGGUSLEMX-AWEZNQCLSA-N 2 0 267.373 1.310 10 0 CDAERP [NH3+]CCCCC[N@@H+]1CCCN(CCn2cccn2)CC1 ZINC000049313907 527174495 /nfs/dbraw/zinc/17/44/95/527174495.db2.gz KPLVIKDRFCOOMA-UHFFFAOYSA-N 2 0 279.432 1.020 10 0 CDAERP [NH3+]CCC[N@@H+]1CCCN(Cc2ccc(F)cc2F)CC1 ZINC000050872120 527180234 /nfs/dbraw/zinc/18/02/34/527180234.db2.gz KGAQMERKXKYYPZ-UHFFFAOYSA-N 2 0 283.366 1.821 10 0 CDAERP [NH3+]CC[C@H]1CCC[C@H](C(=O)NCC[NH+]2CCCC2)C1 ZINC000055160842 527195126 /nfs/dbraw/zinc/19/51/26/527195126.db2.gz OMSSSAJJBHWATN-KGLIPLIRSA-N 2 0 267.417 1.354 10 0 CDAERP [NH3+][C@H]1CCCC[C@@H]1C(=O)NCC[NH+]1CCCCCC1 ZINC000055089282 527395109 /nfs/dbraw/zinc/39/51/09/527395109.db2.gz YWRKRWNDHSKSGJ-KBPBESRZSA-N 2 0 267.417 1.496 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000261651567 535174848 /nfs/dbraw/zinc/17/48/48/535174848.db2.gz DMJCBJNVYNLZQH-RBSFLKMASA-N 2 0 281.444 1.598 10 0 CDAERP CC[NH+](CC)CCN(CCOC)C[C@]1(C)CC[NH2+]C1 ZINC000261902775 535525933 /nfs/dbraw/zinc/52/59/33/535525933.db2.gz WJZDATDFFRZCIB-OAHLLOKOSA-N 2 0 271.449 1.276 10 0 CDAERP CCc1cnc(C[NH2+][C@@H](CCC[NH3+])COC)s1 ZINC000234152827 536052470 /nfs/dbraw/zinc/05/24/70/536052470.db2.gz ZGQLTMUTGBXZSZ-JTQLQIEISA-N 2 0 257.403 1.549 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@H]1C)[NH+](CC)CC ZINC000928447642 619095788 /nfs/dbraw/zinc/09/57/88/619095788.db2.gz KZIFQCRTDMIMBA-RWMBFGLXSA-N 2 0 255.406 1.316 10 0 CDAERP CC(C)C[C@H]([NH2+][C@@H]1CC[C@H]1C)C(=O)NCC[NH+](C)C ZINC000783279504 617591609 /nfs/dbraw/zinc/59/16/09/617591609.db2.gz KOSQPYAPOAQZCZ-MCIONIFRSA-N 2 0 269.433 1.467 10 0 CDAERP CC1CC[NH+](CCCN[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925512006 617416140 /nfs/dbraw/zinc/41/61/40/617416140.db2.gz YDHMYQXEYZHZGV-HNNXBMFYSA-N 2 0 265.445 1.983 10 0 CDAERP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925515967 617425583 /nfs/dbraw/zinc/42/55/83/617425583.db2.gz KCMVPJIRRNEPAZ-KOEUFRSPSA-N 2 0 288.439 1.554 10 0 CDAERP C[NH+]1CCN(CCC[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925521364 617433542 /nfs/dbraw/zinc/43/35/42/617433542.db2.gz UGJSPTAKZCCBLZ-HUUCEWRRSA-N 3 0 282.476 1.120 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2cn3c(n2)CCCC3)C12CCC2 ZINC000925536512 617469796 /nfs/dbraw/zinc/46/97/96/617469796.db2.gz FIAWNSIQNZNVRB-ZIAGYGMSSA-N 2 0 274.412 1.621 10 0 CDAERP CC1(C)C[C@@H]([NH2+]C[C@H](O)C2CCOCC2)C[C@@H]([NH3+])C1 ZINC000925619605 617565295 /nfs/dbraw/zinc/56/52/95/617565295.db2.gz PMRPNTASEMIODK-RDBSUJKOSA-N 2 0 270.417 1.270 10 0 CDAERP Cc1nn(C)c(C)c1CCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925630206 617576693 /nfs/dbraw/zinc/57/66/93/617576693.db2.gz OJGDDVWLSPTNSQ-GJZGRUSLSA-N 2 0 276.428 1.829 10 0 CDAERP CC1(C)[C@@H]([NH2+]CCO[C@@H]2CCOC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925875353 617944638 /nfs/dbraw/zinc/94/46/38/617944638.db2.gz RMVXPIXLIQSMIX-MQYQWHSLSA-N 2 0 268.401 1.158 10 0 CDAERP CC(C)[C@@H](CO)C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925674639 617634456 /nfs/dbraw/zinc/63/44/56/617634456.db2.gz SWTCHJBRVHYHLR-YIYPIFLZSA-N 2 0 254.418 1.617 10 0 CDAERP Cc1nccnc1CC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925676855 617642900 /nfs/dbraw/zinc/64/29/00/617642900.db2.gz TZLPPMJFCJAYPD-CHWSQXEVSA-N 2 0 262.401 1.823 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC[C@H]1CCC2(CCOCC2)CO1 ZINC000925773841 617654533 /nfs/dbraw/zinc/65/45/33/617654533.db2.gz PSXNRHAYMAFMQK-KFWWJZLASA-N 2 0 282.428 1.822 10 0 CDAERP C[C@@H](Cc1cnccn1)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925775510 617665783 /nfs/dbraw/zinc/66/57/83/617665783.db2.gz GVSGDRTUUOXPLV-QWRGUYRKSA-N 2 0 270.327 1.242 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H](NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000925778144 617677314 /nfs/dbraw/zinc/67/73/14/617677314.db2.gz RNJFOYUYASMQLS-QJPTWQEYSA-N 2 0 275.387 1.727 10 0 CDAERP FC1(F)CC[NH2+]C[C@@H]1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000925784305 617704324 /nfs/dbraw/zinc/70/43/24/617704324.db2.gz QOTYOXPWLSZELC-AGIUHOORSA-N 2 0 273.371 1.448 10 0 CDAERP [NH3+][C@H]1CCC[C@@H]([NH2+][C@H]2c3ccccc3CC[C@H]2O)C1 ZINC000925890316 617981111 /nfs/dbraw/zinc/98/11/11/617981111.db2.gz OEVIDUUBHXJVOE-XNISGKROSA-N 2 0 260.381 1.894 10 0 CDAERP CCOC[C@@H](O)C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000923416459 618327413 /nfs/dbraw/zinc/32/74/13/618327413.db2.gz WUSBMRQMWAQGSW-GXTWGEPZSA-N 2 0 258.406 1.081 10 0 CDAERP CC[C@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)C(=O)OC ZINC000895128441 619324898 /nfs/dbraw/zinc/32/48/98/619324898.db2.gz TZQOWGKAALWDLH-CYBMUJFWSA-N 2 0 268.401 1.650 10 0 CDAERP C[C@@H]1CN(Cc2cncnc2)CCN1c1cc[nH+]cc1 ZINC000895558435 619726167 /nfs/dbraw/zinc/72/61/67/619726167.db2.gz WWHQQIKYYGHFBF-CYBMUJFWSA-N 2 0 269.352 1.582 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCOC[C@@H]1C(C)C ZINC000925240356 620608900 /nfs/dbraw/zinc/60/89/00/620608900.db2.gz JBPDKSPCPQAZCL-OAGGEKHMSA-N 2 0 286.460 1.994 10 0 CDAERP CC(C)C[C@H](CNC(=[NH2+])NCCC1CC1)[NH+](C)C ZINC000864450072 620921901 /nfs/dbraw/zinc/92/19/01/620921901.db2.gz DKIHDZRYZMCISG-CYBMUJFWSA-N 2 0 254.422 1.877 10 0 CDAERP C[C@@H]1[C@H](NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC[N@@H+]1C ZINC000925328813 621564628 /nfs/dbraw/zinc/56/46/28/621564628.db2.gz LDKZOZZFOYMKOD-RBSFLKMASA-N 2 0 294.443 1.349 10 0 CDAERP C[C@@H](C[NH2+][C@@H]1CCOC12CCOCC2)C[NH+]1CCCC1 ZINC000924713802 621696411 /nfs/dbraw/zinc/69/64/11/621696411.db2.gz GGIZELUZPRETJP-LSDHHAIUSA-N 2 0 282.428 1.646 10 0 CDAERP C[NH+](C)[C@@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C12CCC2 ZINC000898832078 621891673 /nfs/dbraw/zinc/89/16/73/621891673.db2.gz VYAWJONSGONAMI-LSDHHAIUSA-N 2 0 298.390 1.937 10 0 CDAERP C[NH+]1CCC([C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC000901202471 623993711 /nfs/dbraw/zinc/99/37/11/623993711.db2.gz DZGPCKZOSXZYMY-OAHLLOKOSA-N 2 0 291.439 1.273 10 0 CDAERP C1CCC([C@@H]2C[NH2+]CC[C@H]2N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC000902463201 624855102 /nfs/dbraw/zinc/85/51/02/624855102.db2.gz ZTKJJKWQHGANMP-AALSBFMBSA-N 2 0 263.429 1.637 10 0 CDAERP C1C[C@@H]([C@H]2CCCC[NH2+]2)[C@@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC000902469630 624863046 /nfs/dbraw/zinc/86/30/46/624863046.db2.gz ZDCZOMJCNJBBJV-YUDUXTHKSA-N 2 0 263.429 1.780 10 0 CDAERP C1CC1[C@H]1COC[C@H]1[NH2+][C@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000902516037 624913154 /nfs/dbraw/zinc/91/31/54/624913154.db2.gz CBRMYZUBWSXOHJ-OLMNGRFOSA-N 2 0 280.412 1.158 10 0 CDAERP CN1C[C@H](CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CC1=O ZINC000903211171 625903058 /nfs/dbraw/zinc/90/30/58/625903058.db2.gz BBENPQOXRGZHIS-KBUPBQIOSA-N 2 0 279.428 1.317 10 0 CDAERP C[C@@H]1C[N@H+](C)C[C@H]1N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903383320 625981554 /nfs/dbraw/zinc/98/15/54/625981554.db2.gz LQOKSOZYEHAQCC-VNQPRFMTSA-N 2 0 276.428 1.614 10 0 CDAERP C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903427036 625989235 /nfs/dbraw/zinc/98/92/35/625989235.db2.gz QROXEKYETHPJKC-YPMHNXCESA-N 2 0 262.353 1.975 10 0 CDAERP COc1ccc([C@H](CO)[N@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000903437126 625991662 /nfs/dbraw/zinc/99/16/62/625991662.db2.gz FEZJIUZTHFKJRN-INWMFGNUSA-N 2 0 278.396 1.788 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CCc2ccccc2[C@H]1C[NH3+] ZINC000903461277 625996047 /nfs/dbraw/zinc/99/60/47/625996047.db2.gz RPEUFZGBLLMSOL-IVMMDQJWSA-N 2 0 259.397 1.400 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@@H](C3CCOCC3)C2)C1 ZINC000903457521 626002799 /nfs/dbraw/zinc/00/27/99/626002799.db2.gz VVFLMYIBZQLHCK-NWANDNLSSA-N 2 0 252.402 1.862 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCCCCCNC(=O)CC1 ZINC000903476774 626005351 /nfs/dbraw/zinc/00/53/51/626005351.db2.gz JAUNINTVCWXYOR-KGLIPLIRSA-N 2 0 267.417 1.224 10 0 CDAERP Cc1nc([C@H]2CC[N@H+](CCC3CC[NH2+]CC3)C2)no1 ZINC000903490809 626010646 /nfs/dbraw/zinc/01/06/46/626010646.db2.gz IZPWXOMUSFOSJR-ZDUSSCGKSA-N 2 0 264.373 1.557 10 0 CDAERP Cc1nc([C@@H]2CC[N@H+](C[C@@H]3CC[C@H]([NH3+])C3)C2)no1 ZINC000903491177 626010951 /nfs/dbraw/zinc/01/09/51/626010951.db2.gz YMAMHKQREBYDME-UTUOFQBUSA-N 2 0 250.346 1.295 10 0 CDAERP C[C@@H]1C[N@H+](Cc2cnn(-c3ccccc3)n2)C[C@H]1CC[NH3+] ZINC000903496913 626012240 /nfs/dbraw/zinc/01/22/40/626012240.db2.gz KANWJPOYWXQZKS-ZIAGYGMSSA-N 2 0 285.395 1.684 10 0 CDAERP [NH3+][C@@H]1CN(CC[C@@H]2CC[NH2+]C2)CC[C@H]1C(F)(F)F ZINC000903539454 626016060 /nfs/dbraw/zinc/01/60/60/626016060.db2.gz IQSRSWSWUSNMKW-HBNTYKKESA-N 2 0 265.323 1.198 10 0 CDAERP [NH3+][C@@H]1CC[C@H](CN2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000903540701 626016325 /nfs/dbraw/zinc/01/63/25/626016325.db2.gz FXAGQAYINGNDCB-ZRUFSTJUSA-N 2 0 265.323 1.325 10 0 CDAERP C[C@]1([C@@H]2CCC[N@H+](CC[C@H]3CC[NH2+]C3)C2)COC(=O)N1 ZINC000903561265 626019167 /nfs/dbraw/zinc/01/91/67/626019167.db2.gz HUYPHEKPBTVUSP-UMVBOHGHSA-N 2 0 281.400 1.197 10 0 CDAERP C[C@@]1(C2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)COC(=O)N1 ZINC000903564007 626020006 /nfs/dbraw/zinc/02/00/06/626020006.db2.gz NJHPKMVEJRKGMA-WFASDCNBSA-N 2 0 281.400 1.197 10 0 CDAERP FC(F)(F)[C@@H]1CCC[C@H](CN2C[C@H]3C[NH2+]C[C@H]3C2)O1 ZINC000903746670 626070791 /nfs/dbraw/zinc/07/07/91/626070791.db2.gz KLMJKRYKHBISMC-KXNHARMFSA-N 2 0 278.318 1.638 10 0 CDAERP C(N[C@H]1CC[NH2+]C12CCCC2)[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903784465 626093428 /nfs/dbraw/zinc/09/34/28/626093428.db2.gz PUFROXHFFBPVAC-ILXRZTDVSA-N 2 0 279.428 1.019 10 0 CDAERP c1cc(C[N@@H+]2CCOCC3(CC3)C2)c2c(c1)C[NH2+]CC2 ZINC000903914836 626134281 /nfs/dbraw/zinc/13/42/81/626134281.db2.gz LENIMDUNFBTIJW-UHFFFAOYSA-N 2 0 272.392 1.945 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@@H+]2C[C@H](C)C[C@H]2C)cnn1C ZINC000903895611 626136008 /nfs/dbraw/zinc/13/60/08/626136008.db2.gz OVYMNVUPIPLNBS-YRGRVCCFSA-N 2 0 264.417 1.576 10 0 CDAERP CS(=O)(=O)CC[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000903899056 626137669 /nfs/dbraw/zinc/13/76/69/626137669.db2.gz QTACCVNFJUFMLV-YHWZYXNKSA-N 2 0 286.441 1.026 10 0 CDAERP C[N@H+](CCC1CC1)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903900035 626138011 /nfs/dbraw/zinc/13/80/11/626138011.db2.gz YGTWWVVSWDLSOY-ZDUSSCGKSA-N 2 0 263.389 1.435 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[NH2+]C2(C)CCOCC2)cnn1C ZINC000903902828 626139770 /nfs/dbraw/zinc/13/97/70/626139770.db2.gz NUPHLCYUIHXEFW-ZDUSSCGKSA-N 2 0 280.416 1.005 10 0 CDAERP CC[C@H]([NH2+]C[C@@H](C[NH3+])Cc1cnn(C)c1C)[C@H]1CCCO1 ZINC000903922855 626147552 /nfs/dbraw/zinc/14/75/52/626147552.db2.gz GGCXNNXKXKJKPC-VNQPRFMTSA-N 2 0 294.443 1.393 10 0 CDAERP C[C@@H](Cn1cncn1)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000903922903 626147979 /nfs/dbraw/zinc/14/79/79/626147979.db2.gz HDIVFQOEIOLSEG-LBPRGKRZSA-N 2 0 271.368 1.102 10 0 CDAERP N[C@H](C[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000903915882 626156686 /nfs/dbraw/zinc/15/66/86/626156686.db2.gz CWYLKKJCYZTDMJ-YPAMNDHTSA-N 2 0 259.397 1.807 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1NCc1ccc(OCC[NH+](C)C)cc1 ZINC000903960759 626160282 /nfs/dbraw/zinc/16/02/82/626160282.db2.gz YQCVOKUCRFTPJC-CZUORRHYSA-N 2 0 277.412 1.325 10 0 CDAERP CC[NH+]1CCC(NC[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000903956398 626167489 /nfs/dbraw/zinc/16/74/89/626167489.db2.gz KVXQWQYJVMJSEM-NSHDSACASA-N 2 0 261.360 1.305 10 0 CDAERP COC(=O)c1ccc(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000903974206 626169279 /nfs/dbraw/zinc/16/92/79/626169279.db2.gz LXGYPCQVPHMJRQ-IUODEOHRSA-N 2 0 276.380 1.808 10 0 CDAERP CCC[C@@H](C)C[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903976794 626169470 /nfs/dbraw/zinc/16/94/70/626169470.db2.gz ATUMLNNZLKODOI-COMQUAJESA-N 2 0 268.401 1.635 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903980151 626170253 /nfs/dbraw/zinc/17/02/53/626170253.db2.gz KCFUCOVLKSEPIZ-BHYGNILZSA-N 3 0 294.487 1.260 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ccc(C)s1)C2 ZINC000903978850 626170310 /nfs/dbraw/zinc/17/03/10/626170310.db2.gz NFOGVSHOCDZUJE-ZOWXZIJZSA-N 2 0 294.420 1.769 10 0 CDAERP CC(=O)N1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CC12CCCCC2 ZINC000904346696 626259678 /nfs/dbraw/zinc/25/96/78/626259678.db2.gz YMJYTMQUGRIADZ-GASCZTMLSA-N 2 0 279.428 1.591 10 0 CDAERP C[NH+](C)C1(CNC(=[NH2+])NC[C@@H]2CCCS2)CCC1 ZINC000905049961 626386136 /nfs/dbraw/zinc/38/61/36/626386136.db2.gz UASINPHOWIZMQH-NSHDSACASA-N 2 0 270.446 1.480 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH+](C)C)C1(C)C)[NH+](C)C ZINC000911578886 629336415 /nfs/dbraw/zinc/33/64/15/629336415.db2.gz MJHGZRRSOOJKMP-SRVKXCTJSA-N 2 0 255.406 1.172 10 0 CDAERP C[C@H](CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)[NH+](C)C ZINC000912389305 629978530 /nfs/dbraw/zinc/97/85/30/629978530.db2.gz HBDSBKLHZWRADY-HZSPNIEDSA-N 2 0 267.417 1.460 10 0 CDAERP C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)Cc1cncn1C ZINC000912651399 630127424 /nfs/dbraw/zinc/12/74/24/630127424.db2.gz VORZMCROJFXVFO-UONOGXRCSA-N 2 0 292.427 1.684 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)C[C@@]1(O)CCC[NH+](C)C1 ZINC000912718753 630166604 /nfs/dbraw/zinc/16/66/04/630166604.db2.gz AKNFUKZOWFSETM-INIZCTEOSA-N 2 0 299.459 1.070 10 0 CDAERP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)CCC1(O)CCC1 ZINC000929723591 630712476 /nfs/dbraw/zinc/71/24/76/630712476.db2.gz UWQYUEFUPOCKDL-HZPDHXFCSA-N 2 0 298.471 1.849 10 0 CDAERP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)Cc1cnc[nH]1 ZINC000913772335 630751213 /nfs/dbraw/zinc/75/12/13/630751213.db2.gz YVEDEINFXGQGJS-UHFFFAOYSA-N 2 0 292.427 1.779 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)NCC2([NH+](C)C)CCCCC2)CC[N@@H+]1C ZINC000913868145 630855738 /nfs/dbraw/zinc/85/57/38/630855738.db2.gz YDPQTVFMPCPFNG-KGLIPLIRSA-N 2 0 296.459 1.643 10 0 CDAERP C[C@H]1[C@@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)CC[N@@H+]1C ZINC000914275064 631305835 /nfs/dbraw/zinc/30/58/35/631305835.db2.gz GPKUZSOHFYQEQZ-JSGCOSHPSA-N 2 0 296.459 1.641 10 0 CDAERP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cc[nH]c(=O)c2)CC1 ZINC000921685738 633174766 /nfs/dbraw/zinc/17/47/66/633174766.db2.gz LLAPZOMMHZAYKM-AWEZNQCLSA-N 2 0 292.427 1.150 10 0 CDAERP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccnn1C1CCC1 ZINC000921705346 633217138 /nfs/dbraw/zinc/21/71/38/633217138.db2.gz TVHCQCPKCAELIX-AWEZNQCLSA-N 2 0 291.443 1.334 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001670677612 1158687897 /nfs/dbraw/zinc/68/78/97/1158687897.db2.gz RMEAAOUQNIHNPH-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CN(CC[NH2+]CC1CC1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001267389656 1159365118 /nfs/dbraw/zinc/36/51/18/1159365118.db2.gz AANNINLERYQSND-LSDHHAIUSA-N 2 0 279.428 1.461 10 0 CDAERP CC(C)[NH+]1CC(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001267701321 1159571231 /nfs/dbraw/zinc/57/12/31/1159571231.db2.gz PNBHFLACBQORAV-BETUJISGSA-N 2 0 267.417 1.316 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000169241742 1160574181 /nfs/dbraw/zinc/57/41/81/1160574181.db2.gz MAEJEMJJIDRTPB-ARFHVFGLSA-N 2 0 293.455 1.981 10 0 CDAERP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]CC[C@@H]1CCOC1)[NH+](C)C ZINC001483262931 1160887342 /nfs/dbraw/zinc/88/73/42/1160887342.db2.gz LTPYYAQRSPAQCU-RRFJBIMHSA-N 2 0 299.459 1.094 10 0 CDAERP C[C@H](CN1CCOCC1)[N@H+](C)CCCCCC[NH3+] ZINC000872155386 1165387364 /nfs/dbraw/zinc/38/73/64/1165387364.db2.gz MGKQPRLWFNYSLR-CQSZACIVSA-N 2 0 257.422 1.158 10 0 CDAERP C([NH2+][C@H]1CCCSC1)[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290740 1165537397 /nfs/dbraw/zinc/53/73/97/1165537397.db2.gz GVGHXYTZFJWDLD-QWHCGFSZSA-N 2 0 270.442 1.630 10 0 CDAERP CC/C=C/CC[NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001319575645 1166581746 /nfs/dbraw/zinc/58/17/46/1166581746.db2.gz YWDGXAPPKZKFSV-NFAHFFEMSA-N 2 0 281.444 1.875 10 0 CDAERP CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC001645893426 1167556660 /nfs/dbraw/zinc/55/66/60/1167556660.db2.gz TYTVIWQJGRNRDI-KGLIPLIRSA-N 2 0 281.444 1.613 10 0 CDAERP CCC/C=C/CC[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001567319036 1168676898 /nfs/dbraw/zinc/67/68/98/1168676898.db2.gz XJGWCPNFWIVHMT-LFAOLKIESA-N 2 0 281.444 1.733 10 0 CDAERP CCC[NH2+]CCC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001568097439 1169135492 /nfs/dbraw/zinc/13/54/92/1169135492.db2.gz ARQAXPUEGOHVDK-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP CCC[NH2+]C[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001568186723 1169167879 /nfs/dbraw/zinc/16/78/79/1169167879.db2.gz COEQXGHLOPGMQX-ZDUSSCGKSA-N 2 0 269.433 1.613 10 0 CDAERP CC(C)C[NH2+]C/C=C\CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001568865499 1169525352 /nfs/dbraw/zinc/52/53/52/1169525352.db2.gz FFPYURPGCFNUAU-XVWMLYKFSA-N 2 0 281.444 1.779 10 0 CDAERP Cc1nc[nH]c1CC(=O)N[C@H](C)C[NH2+]CCC1CC1 ZINC001569033463 1169605018 /nfs/dbraw/zinc/60/50/18/1169605018.db2.gz WGMICATZEYSOCO-SNVBAGLBSA-N 2 0 264.373 1.155 10 0 CDAERP CC[C@H](C(=O)N1CC[C@@](C)(C[NH2+]CCCOC)C1)[NH+](C)C ZINC001569691434 1169968456 /nfs/dbraw/zinc/96/84/56/1169968456.db2.gz ZNRXXVPWAQJSDX-ZBFHGGJFSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001571393227 1170406901 /nfs/dbraw/zinc/40/69/01/1170406901.db2.gz LGNUDKTTXOXSHG-CABCVRRESA-N 2 0 281.444 1.873 10 0 CDAERP C[C@H]1[C@H]([NH2+]CCCCCF)CCN1C(=O)C[NH+]1CCCC1 ZINC001571467237 1170441442 /nfs/dbraw/zinc/44/14/42/1170441442.db2.gz IBBALVYTCMLWGX-LSDHHAIUSA-N 2 0 299.434 1.801 10 0 CDAERP CCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH+](C)C)CC1 ZINC000066395822 1171380320 /nfs/dbraw/zinc/38/03/20/1171380320.db2.gz LNHGOBWDOUCEFJ-OAHLLOKOSA-N 2 0 281.444 1.804 10 0 CDAERP CCCCCC[N@H+](C)CC(=O)N[C@H]1C[NH+](C)CC1(C)C ZINC001652492471 1171444060 /nfs/dbraw/zinc/44/40/60/1171444060.db2.gz YMQLKILGGWXGBH-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP C[N@H+](CCCC[NH+]1CCCCC1)C[C@@H](O)C(C)(C)O ZINC001659938522 1172146037 /nfs/dbraw/zinc/14/60/37/1172146037.db2.gz HRXIVIZRXXINJN-CQSZACIVSA-N 2 0 272.433 1.316 10 0 CDAERP CC[N@H+](C)CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001660254475 1172183763 /nfs/dbraw/zinc/18/37/63/1172183763.db2.gz WJRNDNOWNYNUTH-UHFFFAOYSA-N 2 0 255.406 1.319 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]C/C=C/Cl ZINC001666667586 1173169502 /nfs/dbraw/zinc/16/95/02/1173169502.db2.gz UNVAXPMYKKLRGC-CHULQOHASA-N 2 0 273.808 1.033 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001671318691 1173676923 /nfs/dbraw/zinc/67/69/23/1173676923.db2.gz MMCQKOMZUFNJKP-HNNXBMFYSA-N 2 0 293.455 1.996 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CCF)C1 ZINC001671752261 1173709303 /nfs/dbraw/zinc/70/93/03/1173709303.db2.gz GSOYIXDCSLPLNB-ZFWWWQNUSA-N 2 0 285.407 1.268 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001691830634 1175633334 /nfs/dbraw/zinc/63/33/34/1175633334.db2.gz DXMIPPHXFNIHSI-HDJSIYSDSA-N 2 0 269.433 1.611 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CCF)CC[N@@H+]1C ZINC001698825607 1175951651 /nfs/dbraw/zinc/95/16/51/1175951651.db2.gz AFOIXHCAPDYREQ-FRRDWIJNSA-N 2 0 273.396 1.123 10 0 CDAERP C[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C[NH2+]CCF ZINC001698951551 1175994103 /nfs/dbraw/zinc/99/41/03/1175994103.db2.gz ZNGCNAPFKBKUOJ-KGLIPLIRSA-N 2 0 299.434 1.514 10 0 CDAERP CC(C)=CC[NH2+]CC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001699131920 1176106560 /nfs/dbraw/zinc/10/65/60/1176106560.db2.gz SNEFORXLTWEJBE-CQSZACIVSA-N 2 0 281.444 1.779 10 0 CDAERP CCN(CC[NH2+]CC[C@H](C)F)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001699181645 1176130202 /nfs/dbraw/zinc/13/02/02/1176130202.db2.gz LHYFJXNNMWFCAO-DZGCQCFKSA-N 2 0 299.434 1.514 10 0 CDAERP C[C@@H](C[NH2+]C/C=C/Cl)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001699421915 1176386081 /nfs/dbraw/zinc/38/60/81/1176386081.db2.gz CWKWKMMZKPROBZ-SCBUBVSKSA-N 2 0 273.808 1.175 10 0 CDAERP CC(C)[NH2+][C@@H](C)CN(C)C(=O)CCCC[NH+](C)C ZINC001700774515 1177126397 /nfs/dbraw/zinc/12/63/97/1177126397.db2.gz CPEUEBFBHRMGKJ-ZDUSSCGKSA-N 2 0 257.422 1.563 10 0 CDAERP CCCC[NH2+][C@H](CO)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001700808404 1177141979 /nfs/dbraw/zinc/14/19/79/1177141979.db2.gz MGULORLXJOBPJQ-CABCVRRESA-N 2 0 299.459 1.118 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]CCCF)C1 ZINC001700913345 1177194377 /nfs/dbraw/zinc/19/43/77/1177194377.db2.gz SPEZXVYGYCZOQX-KGLIPLIRSA-N 2 0 287.423 1.561 10 0 CDAERP CC[N@H+](C)CCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001712956774 1178267330 /nfs/dbraw/zinc/26/73/30/1178267330.db2.gz JBEBVPNIZYHXJH-UHFFFAOYSA-N 2 0 274.368 1.714 10 0 CDAERP CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001713351996 1178515585 /nfs/dbraw/zinc/51/55/85/1178515585.db2.gz OYPOSPYPPMAGEV-JKSUJKDBSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001713472602 1178588871 /nfs/dbraw/zinc/58/88/71/1178588871.db2.gz DJSXOOFOWBJGBU-KGLIPLIRSA-N 2 0 269.433 1.563 10 0 CDAERP CCCCC[N@H+](C)CCNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001713475023 1178590102 /nfs/dbraw/zinc/59/01/02/1178590102.db2.gz LDRKLPBYLWKJAS-INIZCTEOSA-N 2 0 281.444 1.711 10 0 CDAERP CC(C)[NH2+]CCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001713601118 1178676138 /nfs/dbraw/zinc/67/61/38/1178676138.db2.gz KSVMYXXAJXOQPI-CYBMUJFWSA-N 2 0 255.406 1.317 10 0 CDAERP CCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001713941730 1178868634 /nfs/dbraw/zinc/86/86/34/1178868634.db2.gz LRQFKHZYQQLVDW-ILXRZTDVSA-N 2 0 279.428 1.413 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001713957805 1178889063 /nfs/dbraw/zinc/88/90/63/1178889063.db2.gz LIOGTUCOFFCWFN-HDJSIYSDSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CCCOC ZINC001714099766 1178970838 /nfs/dbraw/zinc/97/08/38/1178970838.db2.gz RYQHVQRUZHDPDV-KKUMJFAQSA-N 2 0 299.459 1.238 10 0 CDAERP CCCC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001714237312 1179038369 /nfs/dbraw/zinc/03/83/69/1179038369.db2.gz YERDENDCRFOCRB-ZIAGYGMSSA-N 2 0 269.433 1.754 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]CCC(C)(C)C ZINC001714422081 1179132847 /nfs/dbraw/zinc/13/28/47/1179132847.db2.gz MVRHJSRWDVUAOZ-UONOGXRCSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]Cc2cncs2)C1 ZINC001714754324 1179378560 /nfs/dbraw/zinc/37/85/60/1179378560.db2.gz FLRAJJRJHBAMGL-GFCCVEGCSA-N 2 0 296.440 1.033 10 0 CDAERP CC(C)c1nccn1CC(=O)N(C)CC[NH2+]CC[C@H](C)F ZINC001714766596 1179386263 /nfs/dbraw/zinc/38/62/63/1179386263.db2.gz XVWJBWDNTNGLQJ-ZDUSSCGKSA-N 2 0 298.406 1.803 10 0 CDAERP CC(C)CC[NH+]1CC(NC(=O)CCC[NH+](C)C)C1 ZINC001714944932 1179469971 /nfs/dbraw/zinc/46/99/71/1179469971.db2.gz UMJFXROFYWWJHD-UHFFFAOYSA-N 2 0 255.406 1.175 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCCC(C)C ZINC001715079061 1179542568 /nfs/dbraw/zinc/54/25/68/1179542568.db2.gz FQGSFSLSBCUBGZ-LSDHHAIUSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@](C[NH2+]C/C=C\Cl)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001715121739 1179558777 /nfs/dbraw/zinc/55/87/77/1179558777.db2.gz BWCKFMWVEKZGIL-IJVDHGTGSA-N 2 0 299.846 1.709 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@@H]2CC[NH2+]CC2CC2)C1 ZINC001715448130 1179669340 /nfs/dbraw/zinc/66/93/40/1179669340.db2.gz JJWUQVIPRKERIM-HZPDHXFCSA-N 2 0 293.455 1.709 10 0 CDAERP CCC[N@H+](C)CCN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001715519701 1179695946 /nfs/dbraw/zinc/69/59/46/1179695946.db2.gz ITJVPNBQQFGXIX-CQSZACIVSA-N 2 0 269.433 1.661 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)CC[NH+](C)CC=C(C)C ZINC001715534677 1179705763 /nfs/dbraw/zinc/70/57/63/1179705763.db2.gz AEUIBGTWPUOJPA-UHFFFAOYSA-N 2 0 269.433 1.685 10 0 CDAERP C[C@@H](CC[NH2+]CCC1CC1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001715683275 1179763604 /nfs/dbraw/zinc/76/36/04/1179763604.db2.gz NQISHBYRKGRMBG-KGLIPLIRSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)=CC[NH2+]C/C=C\CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001715814979 1179839625 /nfs/dbraw/zinc/83/96/25/1179839625.db2.gz CSWQCHHISQYBDM-QGZUEGPWSA-N 2 0 291.439 1.556 10 0 CDAERP C[C@@H](C[NH2+]C/C=C/Cl)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001715975668 1179957127 /nfs/dbraw/zinc/95/71/27/1179957127.db2.gz FPQWNIYXMIRBEP-VCRURGJNSA-N 2 0 285.819 1.175 10 0 CDAERP CCCCC[NH2+]C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001715988652 1179966718 /nfs/dbraw/zinc/96/67/18/1179966718.db2.gz UHIDVVAHJNNSHH-AWEZNQCLSA-N 2 0 281.444 1.899 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CCF ZINC001716074633 1180031858 /nfs/dbraw/zinc/03/18/58/1180031858.db2.gz BXUCYZJYNXRAIG-OLZOCXBDSA-N 2 0 273.396 1.171 10 0 CDAERP CCN(CC[NH2+]Cc1ccccc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001716253642 1180121654 /nfs/dbraw/zinc/12/16/54/1180121654.db2.gz BRVQHUXWTNBEKX-INIZCTEOSA-N 2 0 289.423 1.576 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+]CC1=CCCCC1 ZINC001716418122 1180195187 /nfs/dbraw/zinc/19/51/87/1180195187.db2.gz CDGZUYISBGLMON-CQSZACIVSA-N 2 0 281.444 1.923 10 0 CDAERP CCC[NH2+]C[C@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001716440916 1180211820 /nfs/dbraw/zinc/21/18/20/1180211820.db2.gz XYQBREUMYGKZOW-QWHCGFSZSA-N 2 0 255.406 1.365 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@@H]1CCCC[C@@H]1C[NH2+]CCCF ZINC001716519637 1180264437 /nfs/dbraw/zinc/26/44/37/1180264437.db2.gz FHGVKEORYWASQM-HUUCEWRRSA-N 2 0 299.434 1.706 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH2+][C@@H](C)COC)CC[N@@H+]1C ZINC001716542660 1180277605 /nfs/dbraw/zinc/27/76/05/1180277605.db2.gz NAPQZZUYXMIWMG-SOUVJXGZSA-N 2 0 299.459 1.190 10 0 CDAERP CCCC[NH2+]CCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001716579463 1180292869 /nfs/dbraw/zinc/29/28/69/1180292869.db2.gz SCJAKWTUCRWPCX-AWEZNQCLSA-N 2 0 269.433 1.566 10 0 CDAERP CC(C)[C@H](C(=O)N[C@@H](C[NH2+]CCF)C1CC1)[NH+]1CCCC1 ZINC001716631864 1180316187 /nfs/dbraw/zinc/31/61/87/1180316187.db2.gz PPXFEUHZNSLBRR-LSDHHAIUSA-N 2 0 299.434 1.561 10 0 CDAERP CC(C)[NH2+][C@H](C)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001717428412 1180667325 /nfs/dbraw/zinc/66/73/25/1180667325.db2.gz GVYDJWCIPIDAQG-OLZOCXBDSA-N 2 0 269.433 1.610 10 0 CDAERP CCC[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001717482884 1180698839 /nfs/dbraw/zinc/69/88/39/1180698839.db2.gz HXHHEQSAPVOTRE-ZDUSSCGKSA-N 2 0 269.433 1.707 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H](C[NH2+]CCCF)C2)C1 ZINC001717647871 1180773206 /nfs/dbraw/zinc/77/32/06/1180773206.db2.gz HNAWBBFFICCPAO-MGPQQGTHSA-N 2 0 285.407 1.172 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCOC(C)C)[C@H]1C ZINC001717801598 1180863202 /nfs/dbraw/zinc/86/32/02/1180863202.db2.gz GTNJKKFBLVKZDS-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP CCCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cn2cncc2C)C1 ZINC001717876273 1180908431 /nfs/dbraw/zinc/90/84/31/1180908431.db2.gz AXYUQUIAQCCLRN-HUUCEWRRSA-N 2 0 292.427 1.866 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]C/C=C\Cl)C1CC1 ZINC001723321905 1181537182 /nfs/dbraw/zinc/53/71/82/1181537182.db2.gz BYDDTLDKMIIJKH-GHGQEBASSA-N 2 0 299.846 1.708 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H]2C[NH2+]CCCF)C1 ZINC001723967078 1181625927 /nfs/dbraw/zinc/62/59/27/1181625927.db2.gz LNWZRRYEXLICTP-KGLIPLIRSA-N 2 0 285.407 1.268 10 0 CDAERP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CCCF ZINC001724611451 1181704396 /nfs/dbraw/zinc/70/43/96/1181704396.db2.gz YQGCOWALFBVYLQ-UONOGXRCSA-N 2 0 285.407 1.126 10 0 CDAERP CC[NH2+]CC[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001724716089 1181733113 /nfs/dbraw/zinc/73/31/13/1181733113.db2.gz ROMBUKYXRWOVLE-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]CC1CCC1 ZINC001724943027 1181803149 /nfs/dbraw/zinc/80/31/49/1181803149.db2.gz KAYVKWXJUDKVDW-JSGCOSHPSA-N 2 0 267.417 1.175 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H]1C[N@H+](C)CC1CC1 ZINC001725049101 1181835695 /nfs/dbraw/zinc/83/56/95/1181835695.db2.gz RWTRMBNKFCSIMM-AWEZNQCLSA-N 2 0 267.417 1.271 10 0 CDAERP CC(C)CC[NH2+]CC1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001725073543 1181845609 /nfs/dbraw/zinc/84/56/09/1181845609.db2.gz VGLLUCSEUCNNOX-SLTAFYQDSA-N 2 0 281.444 1.469 10 0 CDAERP CC(C)CC[NH2+][C@H](C)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001725112523 1181867106 /nfs/dbraw/zinc/86/71/06/1181867106.db2.gz WROKXJNFJJNYOM-CHWSQXEVSA-N 2 0 257.422 1.467 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)C1CCC([NH2+]CCOC)CC1 ZINC001725136376 1181878845 /nfs/dbraw/zinc/87/88/45/1181878845.db2.gz IJVNSODZJIRUNY-UHFFFAOYSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001725293188 1181954732 /nfs/dbraw/zinc/95/47/32/1181954732.db2.gz YODDTQRXAWSQRF-CYBMUJFWSA-N 2 0 269.433 1.563 10 0 CDAERP CC/C=C\CC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001731453067 1182396522 /nfs/dbraw/zinc/39/65/22/1182396522.db2.gz CWOHBGUJKHAVHC-LDUWWUQZSA-N 2 0 293.455 1.921 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001731669739 1182484044 /nfs/dbraw/zinc/48/40/44/1182484044.db2.gz VCOJCJNPOSTVLJ-ZDUSSCGKSA-N 2 0 255.406 1.176 10 0 CDAERP CCC(CC)C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001731636466 1182493942 /nfs/dbraw/zinc/49/39/42/1182493942.db2.gz DIZCEGPBEVBGIJ-TZMCWYRMSA-N 2 0 269.433 1.469 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@@H](C[NH2+]CC2CCC2)C1 ZINC001731669770 1182511111 /nfs/dbraw/zinc/51/11/11/1182511111.db2.gz VTFUSMONESZKJL-AWEZNQCLSA-N 2 0 267.417 1.176 10 0 CDAERP CN(CC[NH2+]CC1CC2(CCC2)C1)C(=O)C[NH+]1CCCC1 ZINC001731985801 1182714581 /nfs/dbraw/zinc/71/45/81/1182714581.db2.gz VEUXERVXCAYEHY-UHFFFAOYSA-N 2 0 293.455 1.711 10 0 CDAERP C[C@@H](C[NH2+]C/C=C\Cl)N(C)C(=O)C[NH+]1CCCC1 ZINC001732453908 1182974171 /nfs/dbraw/zinc/97/41/71/1182974171.db2.gz JUSFWUOGPABYSI-FJOGCWAESA-N 2 0 273.808 1.271 10 0 CDAERP C[C@@H](CC[NH2+]Cc1ccccn1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001732679671 1183080712 /nfs/dbraw/zinc/08/07/12/1183080712.db2.gz AJJOOPJPRVSGIH-ZFWWWQNUSA-N 2 0 290.411 1.160 10 0 CDAERP CCN(CC[NH2+]CCCF)C(=O)C12CCC[NH+](CCC1)C2 ZINC001732779997 1183123463 /nfs/dbraw/zinc/12/34/63/1183123463.db2.gz DIAWEAJKDGSCCY-UHFFFAOYSA-N 2 0 299.434 1.660 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]C/C=C/Cl ZINC001732859687 1183162446 /nfs/dbraw/zinc/16/24/46/1183162446.db2.gz QTMADAAYSXZVBZ-BZQLLAOWSA-N 2 0 299.846 1.875 10 0 CDAERP CCC[NH2+]C[C@@]1(C)CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001733442573 1183432350 /nfs/dbraw/zinc/43/23/50/1183432350.db2.gz OHXHCNXMMBDXFL-OAHLLOKOSA-N 2 0 269.433 1.566 10 0 CDAERP CCCC[NH2+]CC1CC(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001733954115 1183582672 /nfs/dbraw/zinc/58/26/72/1183582672.db2.gz YUZCDMVQIRGHEG-NFOMZHRRSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)=CC[NH2+]CC1CC(NC(=O)CCC[NH+](C)C)C1 ZINC001733955928 1183583452 /nfs/dbraw/zinc/58/34/52/1183583452.db2.gz NWKZKIKTHBMNDS-UHFFFAOYSA-N 2 0 281.444 1.779 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H](C)[NH2+]CC1CCC1 ZINC001734003546 1183611256 /nfs/dbraw/zinc/61/12/56/1183611256.db2.gz SVMIAMAITDHQCQ-STQMWFEESA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001734323895 1183731456 /nfs/dbraw/zinc/73/14/56/1183731456.db2.gz SNIAPXQXUNVRCM-GOEBONIOSA-N 2 0 293.455 1.731 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@@H]1[NH+](CC)CC2 ZINC001734445140 1183780798 /nfs/dbraw/zinc/78/07/98/1183780798.db2.gz XJARLZYPKMBPLS-ZFWWWQNUSA-N 2 0 267.417 1.461 10 0 CDAERP C[NH+]1CCC(NC(=O)[C@@H]2[NH2+]CC[C@@H]3CCCC[C@@H]23)CC1 ZINC000312554427 1186701578 /nfs/dbraw/zinc/70/15/78/1186701578.db2.gz UWAASNOTOBLNMB-NWANDNLSSA-N 2 0 279.428 1.365 10 0 CDAERP CC[N@H+](CC(=O)NCC12CCC[NH+](CCC1)C2)C1CC1 ZINC001772453363 1187239668 /nfs/dbraw/zinc/23/96/68/1187239668.db2.gz FBXDZSKUYKOPRL-UHFFFAOYSA-N 2 0 279.428 1.463 10 0 CDAERP CC[C@H]1CCN(C(=[NH2+])NCCCN(C)CC[NH+](C)C)C1 ZINC000864467839 710676960 /nfs/dbraw/zinc/67/69/60/710676960.db2.gz ASLKLYAXEKGGAC-AWEZNQCLSA-N 2 0 283.464 1.126 10 0 CDAERP CCO[C@@H]1C[C@@H]([NH2+]CCN2CCC([NH3+])CC2)C12CCCC2 ZINC000925813613 705324713 /nfs/dbraw/zinc/32/47/13/705324713.db2.gz XMKFLLTVNJOWFL-HZPDHXFCSA-N 2 0 295.471 1.737 10 0 CDAERP CN(C(=O)[C@@H]1CCCCC[C@@H]1[NH3+])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000872283669 705347913 /nfs/dbraw/zinc/34/79/13/705347913.db2.gz MCLKEUIFRGKIJY-KFWWJZLASA-N 2 0 279.428 1.589 10 0 CDAERP C[C@@H]1C[C@@H]1NC(=[NH2+])NCC1([NH+](C)C)CCCCC1 ZINC000864453054 705355738 /nfs/dbraw/zinc/35/57/38/705355738.db2.gz WECKMYODEQNPFM-NEPJUHHUSA-N 2 0 252.406 1.773 10 0 CDAERP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCc1ccc(C(N)=O)cc1 ZINC000866660425 705381116 /nfs/dbraw/zinc/38/11/16/705381116.db2.gz FNNYCASHWGNYTB-HNNXBMFYSA-N 2 0 277.412 1.633 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC1 ZINC000713420422 705385084 /nfs/dbraw/zinc/38/50/84/705385084.db2.gz RDTGNIXMWBUPIT-XUJVJEKNSA-N 2 0 265.401 1.057 10 0 CDAERP c1cc(N2CCN(CCC[NH2+]C3CC3)CC2)cc[nH+]1 ZINC000923328236 705438679 /nfs/dbraw/zinc/43/86/79/705438679.db2.gz URUQCKGCHUFJRS-UHFFFAOYSA-N 2 0 260.385 1.346 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870973410 705450302 /nfs/dbraw/zinc/45/03/02/705450302.db2.gz VFVNCNYTBQELGZ-FZKCQIBNSA-N 2 0 293.455 1.898 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCOc2cccnc2)[C@H]2CCC[C@@H]21 ZINC000796763033 705450476 /nfs/dbraw/zinc/45/04/76/705450476.db2.gz RQUSNYYUDHQZNN-PMPSAXMXSA-N 2 0 275.396 1.923 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](C[C@@H](O)CCc1ccccc1)C2 ZINC000923410374 705452126 /nfs/dbraw/zinc/45/21/26/705452126.db2.gz YKIBSYXWKWWYGN-OKZBNKHCSA-N 2 0 288.435 1.912 10 0 CDAERP NC(=O)c1ccc(CC[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000866661504 705469137 /nfs/dbraw/zinc/46/91/37/705469137.db2.gz QVQTXNCFGAGOBC-MRXNPFEDSA-N 2 0 273.380 1.013 10 0 CDAERP CCC(CC)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723900731 705562593 /nfs/dbraw/zinc/56/25/93/705562593.db2.gz MDMZJIHDDDHQGP-FRRDWIJNSA-N 2 0 269.433 1.596 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000925784895 705614337 /nfs/dbraw/zinc/61/43/37/705614337.db2.gz TWABDQAHHOPFGX-YALNPMBYSA-N 2 0 273.424 1.847 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2ccc(F)cn2)C1 ZINC000818985375 705623711 /nfs/dbraw/zinc/62/37/11/705623711.db2.gz RZSJEMBZVWZIPK-CJNGLKHVSA-N 2 0 295.402 1.964 10 0 CDAERP CS(=O)(=O)C1CCC(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000925800468 705629225 /nfs/dbraw/zinc/62/92/25/705629225.db2.gz RXKKYIKMGBHABI-YIFLHPOLSA-N 2 0 288.457 1.449 10 0 CDAERP CC(=O)NCC1CCC([NH2+]C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000865455511 705673092 /nfs/dbraw/zinc/67/30/92/705673092.db2.gz BFJIWWSAIAQJAK-PCKAHOCUSA-N 2 0 281.444 1.613 10 0 CDAERP O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000424022117 705699627 /nfs/dbraw/zinc/69/96/27/705699627.db2.gz CNNOBTHHSPCKLZ-RZLSGREXSA-N 2 0 277.412 1.262 10 0 CDAERP O[C@@H](CN[C@@H]1CC[NH2+]C12CCCC2)CC(F)(F)F ZINC000923429269 705733002 /nfs/dbraw/zinc/73/30/02/705733002.db2.gz YIPAKXSSMGXJNM-NXEZZACHSA-N 2 0 266.307 1.564 10 0 CDAERP COC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)C1CCOCC1 ZINC000925704565 705749041 /nfs/dbraw/zinc/74/90/41/705749041.db2.gz HSFMZIDYXGLCGE-BFHYXJOUSA-N 2 0 268.401 1.288 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000722396579 705758013 /nfs/dbraw/zinc/75/80/13/705758013.db2.gz ROYRMEJHEUFLTA-DCAQKATOSA-N 2 0 284.322 1.440 10 0 CDAERP CCC(CC)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923501428 705779378 /nfs/dbraw/zinc/77/93/78/705779378.db2.gz UJFIEROSJVHUHG-AGIUHOORSA-N 2 0 269.433 1.596 10 0 CDAERP O[C@H](COc1ccccc1)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000923414226 705781089 /nfs/dbraw/zinc/78/10/89/705781089.db2.gz KOSAYOKTDBEJOQ-VYDXJSESSA-N 2 0 290.407 1.500 10 0 CDAERP CC1(C)C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCS1 ZINC000923316261 705804103 /nfs/dbraw/zinc/80/41/03/705804103.db2.gz NOYASWVCQKXJTK-LLVKDONJSA-N 2 0 256.415 1.192 10 0 CDAERP CCC[C@H](C)C(=O)NCC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925677829 705840565 /nfs/dbraw/zinc/84/05/65/705840565.db2.gz QSPAJDYQIZSHOI-XQQFMLRXSA-N 2 0 267.417 1.398 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](CO)c2ccccc2)C12CCC2 ZINC000925624565 705858017 /nfs/dbraw/zinc/85/80/17/705858017.db2.gz YCELJEDWCPECDO-RBSFLKMASA-N 2 0 260.381 1.622 10 0 CDAERP C[C@H]1C[C@H]1NC(=[NH2+])NCC(C)(C)[NH+]1CCCCC1 ZINC000864452714 705858210 /nfs/dbraw/zinc/85/82/10/705858210.db2.gz RXXAHYIOJJJLHH-NWDGAFQWSA-N 2 0 252.406 1.773 10 0 CDAERP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)CCCCC[NH3+] ZINC000720885282 705870364 /nfs/dbraw/zinc/87/03/64/705870364.db2.gz DEUGQXQKKCCKGF-QWHCGFSZSA-N 2 0 253.390 1.201 10 0 CDAERP C1=C[C@@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)[C@H]2CO[C@@H]1C2 ZINC000922717062 705907659 /nfs/dbraw/zinc/90/76/59/705907659.db2.gz GKQLFIXBNMPZAH-OTJKEOIZSA-N 2 0 262.397 1.794 10 0 CDAERP C[C@@H]1NCCC[C@@H]1[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000715574636 705924863 /nfs/dbraw/zinc/92/48/63/705924863.db2.gz ZIVSQOMPKRIHEA-LQULJDIASA-N 2 0 253.434 1.979 10 0 CDAERP [NH3+][C@@H](CC(=O)N1CCC(c2c[nH]cn2)CC1)C1CC1 ZINC000831095150 705951324 /nfs/dbraw/zinc/95/13/24/705951324.db2.gz XDMZBGYDOLLMLM-LBPRGKRZSA-N 2 0 262.357 1.243 10 0 CDAERP CO[C@H]1C[C@@H]([NH2+]CCOCC[NH+](C)C)C12CCC2 ZINC000308341031 705969855 /nfs/dbraw/zinc/96/98/55/705969855.db2.gz BOVJNBWQTWGRQM-OLZOCXBDSA-N 2 0 256.390 1.112 10 0 CDAERP C[C@H](Cn1ccnc1)[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000924646666 705991916 /nfs/dbraw/zinc/99/19/16/705991916.db2.gz BEYJGWFHVFPLDK-QLFBSQMISA-N 2 0 262.401 1.878 10 0 CDAERP O=C(CCC12CC(C1)C[NH2+]2)N1CCC2(CC[NH2+]C2)CC1 ZINC000870914058 706019324 /nfs/dbraw/zinc/01/93/24/706019324.db2.gz JDQUARPCPUIYQJ-UHFFFAOYSA-N 2 0 277.412 1.121 10 0 CDAERP C(C[NH2+][C@@H]1CC[NH2+]C12CCCC2)C[C@H]1CCC[NH2+]1 ZINC000925712471 706033326 /nfs/dbraw/zinc/03/33/26/706033326.db2.gz VHAYHTAXKRZRSV-ZIAGYGMSSA-N 3 0 251.418 1.783 10 0 CDAERP C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)OC1CCSCC1 ZINC000929311381 706045075 /nfs/dbraw/zinc/04/50/75/706045075.db2.gz CKJJHBHXUYBTOF-VXGBXAGGSA-N 2 0 256.415 1.050 10 0 CDAERP CCC(CC)[C@H](CNC(=[NH2+])NC1CC1)[NH+]1CCCC1 ZINC000066242772 706060495 /nfs/dbraw/zinc/06/04/95/706060495.db2.gz NKODJGDMWGYYNR-AWEZNQCLSA-N 2 0 266.433 1.954 10 0 CDAERP CCOC(=O)CCCCN1CCc2[nH+]ccc(N)c2C1 ZINC000931513535 706079706 /nfs/dbraw/zinc/07/97/06/706079706.db2.gz YJVBAWKQOHXKGG-UHFFFAOYSA-N 2 0 277.368 1.755 10 0 CDAERP CC(C)[C@H]1COCC[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000926255781 706086917 /nfs/dbraw/zinc/08/69/17/706086917.db2.gz UAVMXJXGAJYBGD-ZIAGYGMSSA-N 2 0 258.406 1.215 10 0 CDAERP C[C@H](C[NH2+]C[C@@H](O)c1ccc(F)cn1)C[NH+]1CCCC1 ZINC000818967052 706105654 /nfs/dbraw/zinc/10/56/54/706105654.db2.gz QXBHPSZQMSIFJH-IUODEOHRSA-N 2 0 281.375 1.576 10 0 CDAERP C[NH+]1CCC2(CCC[N@H+](C[C@@H](O)C3(O)CCCC3)C2)CC1 ZINC000930310856 706134147 /nfs/dbraw/zinc/13/41/47/706134147.db2.gz RICNWGGOFSVMRS-OAHLLOKOSA-N 2 0 296.455 1.460 10 0 CDAERP CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](CCCCCC[NH3+])C1 ZINC000846224458 706136756 /nfs/dbraw/zinc/13/67/56/706136756.db2.gz XPDCMYFUBKWBAV-LBPRGKRZSA-N 2 0 295.349 1.506 10 0 CDAERP COC[C@@H](C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1)C(C)C ZINC000923441040 706153419 /nfs/dbraw/zinc/15/34/19/706153419.db2.gz KCGKYFPDSANOEL-CABCVRRESA-N 2 0 284.444 1.735 10 0 CDAERP CC(C)[C@](C)(CN)[NH2+]CCc1ccc(C(N)=O)cc1 ZINC000866660911 706244098 /nfs/dbraw/zinc/24/40/98/706244098.db2.gz IJLQZLBHIDUCCB-HNNXBMFYSA-N 2 0 263.385 1.291 10 0 CDAERP CC1(C)CO[C@H](C[NH+]2CCC(OCCC[NH3+])CC2)C1 ZINC000708357390 709546504 /nfs/dbraw/zinc/54/65/04/709546504.db2.gz ZWLHIFIDCGKLKJ-AWEZNQCLSA-N 2 0 270.417 1.631 10 0 CDAERP O[C@@H](C[NH2+]CC[C@H]1CCCS1)C[NH+]1CCCC1 ZINC000715869279 709598003 /nfs/dbraw/zinc/59/80/03/709598003.db2.gz WQQWOASSISDNKN-QWHCGFSZSA-N 2 0 258.431 1.318 10 0 CDAERP COC[C@H](C)C[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720845071 709806415 /nfs/dbraw/zinc/80/64/15/709806415.db2.gz OYRLYVDBGDSMBK-BBBLOLIVSA-N 2 0 254.296 1.338 10 0 CDAERP C[C@@H]1C[C@H](N(C)C[C@H](O)c2ccccn2)CC[N@@H+]1C ZINC000851796320 709812536 /nfs/dbraw/zinc/81/25/36/709812536.db2.gz AYEDIZNXNHGZOM-NFAWXSAZSA-N 2 0 263.385 1.530 10 0 CDAERP C[C@@H](Cc1ccccn1)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000926684245 709812785 /nfs/dbraw/zinc/81/27/85/709812785.db2.gz FCJNCCVNQCLNBA-HOTGVXAUSA-N 2 0 292.471 1.874 10 0 CDAERP C[NH2+]CC1CC[NH+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CC1 ZINC000720879347 709833157 /nfs/dbraw/zinc/83/31/57/709833157.db2.gz JDCSKYLPPFNPMI-KKUMJFAQSA-N 2 0 252.402 1.875 10 0 CDAERP CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000925336862 709838318 /nfs/dbraw/zinc/83/83/18/709838318.db2.gz NIWDCYIPLFYSKS-OLZOCXBDSA-N 2 0 270.421 1.061 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000857253346 709859818 /nfs/dbraw/zinc/85/98/18/709859818.db2.gz KHELOWUVHQFMON-ZRUFSTJUSA-N 2 0 281.227 1.912 10 0 CDAERP CC[C@@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)[C@@H]1CCC[NH2+]1 ZINC000925829418 709868044 /nfs/dbraw/zinc/86/80/44/709868044.db2.gz DFDIEFPJHUFPJI-ZQNQSHIBSA-N 2 0 250.386 1.698 10 0 CDAERP C[N@H+](C[C@H]1CC[C@@H](C(F)(F)F)O1)C1CC[NH2+]CC1 ZINC000721446614 709875322 /nfs/dbraw/zinc/87/53/22/709875322.db2.gz RUMDGPQRHAYTDQ-MNOVXSKESA-N 2 0 266.307 1.780 10 0 CDAERP CC[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)[C@@H]1CCCOC1 ZINC000872020511 709897052 /nfs/dbraw/zinc/89/70/52/709897052.db2.gz HTXLAXCVLIKRJD-WBVHZDCISA-N 2 0 297.487 1.807 10 0 CDAERP C[C@H]1[C@@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)CC[N@@H+]1C ZINC000921588508 709899422 /nfs/dbraw/zinc/89/94/22/709899422.db2.gz SWVBZUMVOZNBAI-PPWQZUPISA-N 2 0 296.459 1.499 10 0 CDAERP C[N@H+](CCCNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)C1CCCCC1 ZINC000870918930 709901111 /nfs/dbraw/zinc/90/11/11/709901111.db2.gz PVFIRQIHMJTGQP-KEYYUXOJSA-N 2 0 293.455 1.885 10 0 CDAERP CC[C@@H]1CCN(C(=[NH2+])NCC[N@@H+]2CC[C@@H](C)C2)C1 ZINC000864455902 709913277 /nfs/dbraw/zinc/91/32/77/709913277.db2.gz APQLESGWMLUPLU-CHWSQXEVSA-N 2 0 252.406 1.584 10 0 CDAERP C[N@H+](CCSC(F)(F)F)CCN1CC[NH2+]CC1 ZINC000127895855 709915012 /nfs/dbraw/zinc/91/50/12/709915012.db2.gz NZFVGWDASXFADE-UHFFFAOYSA-N 2 0 271.352 1.076 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000926665105 709918512 /nfs/dbraw/zinc/91/85/12/709918512.db2.gz BJEJPSIYNIDIDG-QXSJWSMHSA-N 3 0 265.445 1.933 10 0 CDAERP C[N@H+](CCc1ccc(C(N)=O)cc1)CC(C)(C)C[NH3+] ZINC000866660623 709965610 /nfs/dbraw/zinc/96/56/10/709965610.db2.gz HPOPWDYLGFGUGW-UHFFFAOYSA-N 2 0 263.385 1.245 10 0 CDAERP C[N@H+](CCc1ccc(C(N)=O)cc1)C1CC[NH2+]CC1 ZINC000866661679 710065267 /nfs/dbraw/zinc/06/52/67/710065267.db2.gz KOWFKFZBGCKWMA-UHFFFAOYSA-N 2 0 261.369 1.012 10 0 CDAERP C[C@@H]1C[N@H+](CCC[NH+]2CCCCC2)C[C@H]1CC[NH3+] ZINC000723903255 710068313 /nfs/dbraw/zinc/06/83/13/710068313.db2.gz VJGACTDOOCXCID-HUUCEWRRSA-N 3 0 253.434 1.779 10 0 CDAERP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)C1 ZINC000923429264 710070396 /nfs/dbraw/zinc/07/03/96/710070396.db2.gz RYIXRDCNSFPVJL-XKNYDFJKSA-N 2 0 282.281 1.203 10 0 CDAERP C([C@H]1CC2(CCC2)CO1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515683 710070905 /nfs/dbraw/zinc/07/09/05/710070905.db2.gz KBZKIFPSYBITNY-BFHYXJOUSA-N 2 0 250.386 1.487 10 0 CDAERP CC[C@@H](CO)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000930095307 710171124 /nfs/dbraw/zinc/17/11/24/710171124.db2.gz LTVFRYOXBODIAD-LSVZVQIISA-N 2 0 281.444 1.000 10 0 CDAERP C[N@@H+]1C[C@@H]2C[NH+](C[C@H]3CCC(C)(C)O3)C[C@]2(C)C1 ZINC000933732603 710235871 /nfs/dbraw/zinc/23/58/71/710235871.db2.gz UIQDPKPHWITSPI-NFAWXSAZSA-N 2 0 252.402 1.828 10 0 CDAERP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](C[C@@H]2C[C@H]3CCC[C@H]3O2)CC1 ZINC000872142861 710323263 /nfs/dbraw/zinc/32/32/63/710323263.db2.gz HDFPHORFTXAQRC-JJTUDDRGSA-N 2 0 294.439 1.772 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000854013712 710336056 /nfs/dbraw/zinc/33/60/56/710336056.db2.gz DBMPHOKUGUPGLX-GFCCVEGCSA-N 2 0 255.406 1.350 10 0 CDAERP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723899315 710348210 /nfs/dbraw/zinc/34/82/10/710348210.db2.gz AUBKNVXMSMOMRP-ZOBORPQBSA-N 2 0 269.433 1.596 10 0 CDAERP C[C@@H]1C[C@@H](N2CCc3sc(C[NH3+])nc3C2)CC[N@@H+]1C ZINC000710168655 710366833 /nfs/dbraw/zinc/36/68/33/710366833.db2.gz UKGYETHEGYFFEM-MNOVXSKESA-N 2 0 280.441 1.443 10 0 CDAERP C[N@@H+]1CC[C@@H]2C[NH+](CCO[C@H]3CC3(F)F)C[C@@H]2C1 ZINC000931441247 710369259 /nfs/dbraw/zinc/36/92/59/710369259.db2.gz FQXJNGQIEAKONN-WOPDTQHZSA-N 2 0 260.328 1.294 10 0 CDAERP C[C@@H]1[C@@H](C)N(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CCN1C ZINC000810866040 710375019 /nfs/dbraw/zinc/37/50/19/710375019.db2.gz RBFIDNIRHJKOAJ-IOASZLSFSA-N 2 0 299.434 1.750 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1C ZINC000928440776 710388844 /nfs/dbraw/zinc/38/88/44/710388844.db2.gz KUXDYZYNFMDDGN-KBMXLJTQSA-N 2 0 289.423 1.888 10 0 CDAERP C[C@@H]1[NH2+]CCC[C@H]1NCC[N@H+](C)C1CCCCC1 ZINC000925483275 710392342 /nfs/dbraw/zinc/39/23/42/710392342.db2.gz YDIMQANOPUDNOS-DZGCQCFKSA-N 2 0 253.434 1.981 10 0 CDAERP F[C@@H](c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1)[C@@H]1CC[NH2+]C1 ZINC000871801878 710393988 /nfs/dbraw/zinc/39/39/88/710393988.db2.gz YXHDNECWWWVBQZ-RIEIUKCASA-N 2 0 280.347 1.688 10 0 CDAERP CC(C)NC(=O)CC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925597345 710433635 /nfs/dbraw/zinc/43/36/35/710433635.db2.gz YLKISKGJATURCJ-VXGBXAGGSA-N 2 0 255.406 1.397 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925779494 710404804 /nfs/dbraw/zinc/40/48/04/710404804.db2.gz JWOBUETWZCBQJE-NMFUWQPSSA-N 2 0 251.418 1.352 10 0 CDAERP CN1CCC[C@H]2[C@H]1CC[N@@H+]2CCCC1CC[NH2+]CC1 ZINC000720902115 710418865 /nfs/dbraw/zinc/41/88/65/710418865.db2.gz UGTZKQACXDSAPN-CVEARBPZSA-N 2 0 265.445 1.935 10 0 CDAERP C([NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000723645590 710426381 /nfs/dbraw/zinc/42/63/81/710426381.db2.gz HNUONUDHWMJYGU-APIJFGDWSA-N 2 0 252.402 1.781 10 0 CDAERP CC(C)=CCC[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711041 710440827 /nfs/dbraw/zinc/44/08/27/710440827.db2.gz AFLQCLWSXRDKIA-MJBXVCDLSA-N 2 0 279.384 1.210 10 0 CDAERP NC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925702161 710446079 /nfs/dbraw/zinc/44/60/79/710446079.db2.gz MKMWNSSCQGHRGJ-RFQIPJPRSA-N 2 0 265.401 1.008 10 0 CDAERP C[C@@]1(C[N@@H+]2CC[C@@H](c3nccs3)C2)CC[NH2+]C1 ZINC000710604627 710467979 /nfs/dbraw/zinc/46/79/79/710467979.db2.gz OYWCIFMDYVDLGX-DGCLKSJQSA-N 2 0 251.399 1.932 10 0 CDAERP CC1CC[NH+](CCN[C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925547660 710498529 /nfs/dbraw/zinc/49/85/29/710498529.db2.gz OZPSOBUEIFTBKV-HNNXBMFYSA-N 2 0 265.445 1.983 10 0 CDAERP CN(C)[C@]1(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CCSC1 ZINC000925529782 710519323 /nfs/dbraw/zinc/51/93/23/710519323.db2.gz HAXMCPSGYROLMT-NFAWXSAZSA-N 2 0 285.501 1.919 10 0 CDAERP Cc1cccc(NC(=[NH2+])NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000849000434 710529238 /nfs/dbraw/zinc/52/92/38/710529238.db2.gz TUDFJGNXVGOGMS-GJZGRUSLSA-N 2 0 288.395 1.794 10 0 CDAERP CC(C)CCOCCNC(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923498394 710531249 /nfs/dbraw/zinc/53/12/49/710531249.db2.gz PFTDWKLERBMNIF-CABCVRRESA-N 2 0 299.459 1.082 10 0 CDAERP C[N@@H+]1CC[C@@H]2C[NH+](CCOC3CCSCC3)C[C@@H]2C1 ZINC000931443397 710543681 /nfs/dbraw/zinc/54/36/81/710543681.db2.gz WQJRJZIBBSUYHO-KGLIPLIRSA-N 2 0 284.469 1.782 10 0 CDAERP C[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1CC[NH3+] ZINC000723887626 710549750 /nfs/dbraw/zinc/54/97/50/710549750.db2.gz WCEDMLBFGLNDSW-GHMZBOCLSA-N 2 0 268.323 1.872 10 0 CDAERP C[C@@H]1OC[C@@H]([NH2+]CCCN2CCC[N@H+](C)CC2)[C@@H]1C ZINC000924966933 710568685 /nfs/dbraw/zinc/56/86/85/710568685.db2.gz RXFHMLHODLQVJZ-QLFBSQMISA-N 2 0 269.433 1.027 10 0 CDAERP Cn1ncc(C[NH2+]C2CCC(C)([NH+](C)C)CC2)n1 ZINC000715517195 710577353 /nfs/dbraw/zinc/57/73/53/710577353.db2.gz BHAVFZMNMCJVPP-UHFFFAOYSA-N 2 0 251.378 1.168 10 0 CDAERP C[N@H+](CCNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)C1CCCCC1 ZINC000870874349 710585041 /nfs/dbraw/zinc/58/50/41/710585041.db2.gz HTAXHZPYPAWRRR-WWGRRREGSA-N 2 0 279.428 1.495 10 0 CDAERP CO[C@@H]1COCC[C@@H]1C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925680664 710600472 /nfs/dbraw/zinc/60/04/72/710600472.db2.gz KHFVHUWHOSGHAN-ZSAUSMIDSA-N 2 0 282.428 1.404 10 0 CDAERP [NH3+]CCCOC1CC[NH+](C[C@@H](O)CC2CCCC2)CC1 ZINC000232148727 710602158 /nfs/dbraw/zinc/60/21/58/710602158.db2.gz XVTYFUVVJQMEMV-HNNXBMFYSA-N 2 0 284.444 1.757 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)NCc2ccccc2)CC[C@H]1C[NH3+] ZINC000251599926 710718521 /nfs/dbraw/zinc/71/85/21/710718521.db2.gz DBFIKEHUUFLTRB-HIFRSBDPSA-N 2 0 275.396 1.220 10 0 CDAERP CC(C)OC[C@H](O)C[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000872222884 710721845 /nfs/dbraw/zinc/72/18/45/710721845.db2.gz HUALACUZDMPOBS-MRXNPFEDSA-N 2 0 286.460 1.872 10 0 CDAERP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000925094653 710742148 /nfs/dbraw/zinc/74/21/48/710742148.db2.gz PJFSFSLZTOUDSP-QSJFSLAZSA-N 2 0 296.455 1.748 10 0 CDAERP C[NH2+]C1CCN(C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000872257318 710783682 /nfs/dbraw/zinc/78/36/82/710783682.db2.gz FMNKHUYFBWJZNL-OLZOCXBDSA-N 2 0 253.390 1.104 10 0 CDAERP c1ccn2c(c1)nnc2CC[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000924576192 710808919 /nfs/dbraw/zinc/80/89/19/710808919.db2.gz YYMQMUFZPSXPQS-CABCVRRESA-N 2 0 299.422 1.878 10 0 CDAERP COC(=O)/C(C)=C/C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799179348 710834641 /nfs/dbraw/zinc/83/46/41/710834641.db2.gz JIBVTERBTVDZCU-LHHJGKSTSA-N 2 0 280.412 1.914 10 0 CDAERP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccns1 ZINC000926357975 710835401 /nfs/dbraw/zinc/83/54/01/710835401.db2.gz TURKDOQHODTGRR-LBPRGKRZSA-N 2 0 282.457 1.820 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1C[NH2+]CC1(C)C)C1CCCC1 ZINC000711274904 710852002 /nfs/dbraw/zinc/85/20/02/710852002.db2.gz NLYBGPAVLOGSLU-CYBMUJFWSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852883569 710862558 /nfs/dbraw/zinc/86/25/58/710862558.db2.gz ZPRKXIUUDYFYLP-UHFFFAOYSA-N 2 0 265.401 1.285 10 0 CDAERP Cc1noc(CCC[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)n1 ZINC000925596990 711408506 /nfs/dbraw/zinc/40/85/06/711408506.db2.gz ZJZOPGKJUQUMHW-XBFCOCLRSA-N 2 0 278.400 1.677 10 0 CDAERP C[N@@H+]1CC[C@H]2CN(C(=O)CCCCCC[NH3+])CC[C@H]21 ZINC000870981436 711451150 /nfs/dbraw/zinc/45/11/50/711451150.db2.gz IPVXTUNLEIYBEV-UONOGXRCSA-N 2 0 267.417 1.448 10 0 CDAERP C[N@H+](CC(=O)N1CC[NH+](C)C(C)(C)CC1)[C@@H]1CCSC1 ZINC000871155325 711481358 /nfs/dbraw/zinc/48/13/58/711481358.db2.gz UHBKAXUNSCDYLI-CYBMUJFWSA-N 2 0 299.484 1.366 10 0 CDAERP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000925884011 711502803 /nfs/dbraw/zinc/50/28/03/711502803.db2.gz PIJBGQJXTXDJTQ-TWMKSMIVSA-N 3 0 273.424 1.905 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CCN(C[C@H]2CCS(=O)(=O)C2)C1 ZINC000866706749 711514582 /nfs/dbraw/zinc/51/45/82/711514582.db2.gz JYYUAPZHFSTVTL-TZMCWYRMSA-N 2 0 288.457 1.118 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925845174 711534822 /nfs/dbraw/zinc/53/48/22/711534822.db2.gz XKAHDMDJAVDENT-SLBVQIDZSA-N 2 0 263.429 1.591 10 0 CDAERP CCOCCC[N@@H+]1CC[C@@H](N[C@@H]2C[NH2+]C[C@H]2C)[C@H](C)C1 ZINC000925783036 711554420 /nfs/dbraw/zinc/55/44/20/711554420.db2.gz BJEASYNOYMWKNK-KLHDSHLOSA-N 2 0 283.460 1.321 10 0 CDAERP CCC(CC)[C@H](CNC(=[NH2+])NC[C@@H]1CCCO1)[NH+](C)C ZINC000066245162 711564008 /nfs/dbraw/zinc/56/40/08/711564008.db2.gz ZWWYSYWZNQPNDJ-KBPBESRZSA-N 2 0 284.448 1.436 10 0 CDAERP C([NH2+][C@H]1CC[C@H]2SCCS[C@@H]21)C12CC(C1)C[NH2+]2 ZINC000853245962 711565555 /nfs/dbraw/zinc/56/55/55/711565555.db2.gz FEXPIFBMRQJUAE-CEPARRHRSA-N 2 0 270.467 1.708 10 0 CDAERP [NH3+]CCCCCCC[NH+]1CCC([C@H]2COC(=O)N2)CC1 ZINC000923526367 711566852 /nfs/dbraw/zinc/56/68/52/711566852.db2.gz OVZNXVBLVIKHSN-CQSZACIVSA-N 2 0 283.416 1.716 10 0 CDAERP COc1ccc(Cl)cc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000923462565 711574890 /nfs/dbraw/zinc/57/48/90/711574890.db2.gz LAHLTUREEHRAIW-UHFFFAOYSA-N 2 0 283.803 1.343 10 0 CDAERP CCn1cc([C@H](C)[NH2+]CCCCCN2CC[NH2+]CC2)cn1 ZINC000925843979 711583755 /nfs/dbraw/zinc/58/37/55/711583755.db2.gz IQKZOGWYDVBTKS-HNNXBMFYSA-N 2 0 293.459 1.629 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)CC1(C)C ZINC000922726861 711596333 /nfs/dbraw/zinc/59/63/33/711596333.db2.gz WFARDSWICLDONJ-SYQHCUMBSA-N 2 0 268.401 1.253 10 0 CDAERP COC[C@H](C)NC(=[NH2+])NCCC[N@H+](C)CC(C)C ZINC000849047099 711610119 /nfs/dbraw/zinc/61/01/19/711610119.db2.gz QERNEEZNQVZMMN-LBPRGKRZSA-N 2 0 258.410 1.113 10 0 CDAERP CCOC(=O)C1=CC[C@@H](N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925719979 711646111 /nfs/dbraw/zinc/64/61/11/711646111.db2.gz RJURQZKPZDRJGP-CHWSQXEVSA-N 2 0 264.369 1.513 10 0 CDAERP C[C@@H]1C[N@H+](CCOCC(F)(F)C(F)F)CC[C@H]1C[NH3+] ZINC000923494862 711673199 /nfs/dbraw/zinc/67/31/99/711673199.db2.gz PLTZXFNLNXUUTC-ZJUUUORDSA-N 2 0 286.313 1.820 10 0 CDAERP CN(C)c1nccc(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)n1 ZINC000925634438 711709750 /nfs/dbraw/zinc/70/97/50/711709750.db2.gz IVEXTFIVLNMGFN-DGCLKSJQSA-N 2 0 277.416 1.538 10 0 CDAERP OC1CC[NH+](CCC[NH2+]CC2(O)CCCCC2)CC1 ZINC000843062762 711712277 /nfs/dbraw/zinc/71/22/77/711712277.db2.gz RZWREDKKPUDFHA-UHFFFAOYSA-N 2 0 270.417 1.118 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)NCC1([NH+](C)C)CC1 ZINC000922986927 711716378 /nfs/dbraw/zinc/71/63/78/711716378.db2.gz NBXISGYYULBRFF-UHFFFAOYSA-N 2 0 284.448 1.358 10 0 CDAERP C([C@H]1CCC2(CCC2)O1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000712499031 711719900 /nfs/dbraw/zinc/71/99/00/711719900.db2.gz UNRYUDRLZRTFAL-LSDHHAIUSA-N 2 0 279.428 1.068 10 0 CDAERP C[C@H]1CC[N@H+](CCc2ccc(C(N)=O)cc2)C[C@@H]1C[NH3+] ZINC000866666504 711720844 /nfs/dbraw/zinc/72/08/44/711720844.db2.gz QVLZDXNOTYRSDK-WFASDCNBSA-N 2 0 275.396 1.245 10 0 CDAERP CN(C)[C@H](CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C(F)(F)F ZINC000925838013 711743001 /nfs/dbraw/zinc/74/30/01/711743001.db2.gz VCUABSPDLXVZDS-MJYBNVITSA-N 2 0 291.361 1.455 10 0 CDAERP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1ccoc1 ZINC000770350926 711749242 /nfs/dbraw/zinc/74/92/42/711749242.db2.gz QQQUORMPDHOHPO-QLFBSQMISA-N 2 0 264.369 1.963 10 0 CDAERP C[NH+](C)C1CC(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000857230424 711757541 /nfs/dbraw/zinc/75/75/41/711757541.db2.gz HOUWOBGIHSBLHN-VQCLRJIVSA-N 2 0 293.455 1.850 10 0 CDAERP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC000866706874 711762743 /nfs/dbraw/zinc/76/27/43/711762743.db2.gz FREKGSAWPURUHN-SOUVJXGZSA-N 2 0 293.411 1.434 10 0 CDAERP CCOCCOCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923327636 711766782 /nfs/dbraw/zinc/76/67/82/711766782.db2.gz FBFDOAIQRFZXLU-PBWFPOADSA-N 2 0 256.390 1.254 10 0 CDAERP C[C@H](CNC(=[NH2+])N[C@@H]1C[C@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000864452935 711767530 /nfs/dbraw/zinc/76/75/30/711767530.db2.gz KSVKZLVQIBFVMV-FDYHWXHSSA-N 2 0 252.406 1.629 10 0 CDAERP CC(=O)N1CC[C@@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925721740 711776315 /nfs/dbraw/zinc/77/63/15/711776315.db2.gz QGHYSVZYRVFSBM-OAGGEKHMSA-N 2 0 279.428 1.365 10 0 CDAERP Cc1c(CNC[C@@H](O)C[NH+]2CCCC2)ccnc1F ZINC000862272229 711782039 /nfs/dbraw/zinc/78/20/39/711782039.db2.gz HLUQXCCRCIYRNE-CYBMUJFWSA-N 2 0 267.348 1.075 10 0 CDAERP COc1ncc(CN2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)c(C)n1 ZINC000931439318 711784662 /nfs/dbraw/zinc/78/46/62/711784662.db2.gz UNMFNWLDGTWFPM-GXTWGEPZSA-N 2 0 276.384 1.177 10 0 CDAERP CC(C)OCC[C@@H](O)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000923410371 711787221 /nfs/dbraw/zinc/78/72/21/711787221.db2.gz YGJMNPDQJBLHBX-KFWWJZLASA-N 2 0 270.417 1.094 10 0 CDAERP C[N@H+]1[C@@H]2CC[C@H]1CC(NC1[C@@H]3CC[C@H]1C[NH+](C)C3)C2 ZINC000926540653 711788194 /nfs/dbraw/zinc/78/81/94/711788194.db2.gz JXQKYWYMTGOEDO-QEPWDTGDSA-N 3 0 263.429 1.541 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C)[C@H]([NH3+])[C@@H]1C ZINC000927768563 711795133 /nfs/dbraw/zinc/79/51/33/711795133.db2.gz BBNDVOYDASPZNC-XUXIUFHCSA-N 2 0 267.417 1.443 10 0 CDAERP C[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)N1CC[NH+](C)CC1 ZINC000925491863 711795573 /nfs/dbraw/zinc/79/55/73/711795573.db2.gz GIVKHCJRXNTUJR-RBSFLKMASA-N 3 0 282.476 1.118 10 0 CDAERP CC(=O)Nc1ccc(CN2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1 ZINC000703593524 711798631 /nfs/dbraw/zinc/79/86/31/711798631.db2.gz GSNVWQVINWWLMA-GOEBONIOSA-N 2 0 273.380 1.686 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000924805670 711799358 /nfs/dbraw/zinc/79/93/58/711799358.db2.gz YLNULPTVQLFRBR-CSOLROPVSA-N 2 0 278.371 1.789 10 0 CDAERP C[C@H](c1cccnc1)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923451038 711801994 /nfs/dbraw/zinc/80/19/94/711801994.db2.gz LBLVHOLOHYPCOJ-HIFRSBDPSA-N 2 0 275.396 1.972 10 0 CDAERP Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]CCC[NH+](C)C)n(C)n1 ZINC000852658113 711803999 /nfs/dbraw/zinc/80/39/99/711803999.db2.gz VPYNXRYIHQGXMH-GOEBONIOSA-N 2 0 278.444 1.981 10 0 CDAERP CC[C@@H](C(=O)NC1CCC(C)([NH+](C)C)CC1)[NH+](C)C ZINC000871362150 711810529 /nfs/dbraw/zinc/81/05/29/711810529.db2.gz XMSWAWWQGHQITF-OWYJLGKBSA-N 2 0 269.433 1.706 10 0 CDAERP C[C@@H]1CCC[N@H+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)[C@@H]1CCC[NH3+] ZINC000724602478 711814750 /nfs/dbraw/zinc/81/47/50/711814750.db2.gz ZMKMXUDXCUKZTB-LJIZCISZSA-N 2 0 282.428 1.630 10 0 CDAERP CC(C)OC[C@H](O)CN1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000705680530 711829909 /nfs/dbraw/zinc/82/99/09/711829909.db2.gz RCILQBUFYMSCNK-KFWWJZLASA-N 2 0 270.417 1.046 10 0 CDAERP CC(=O)NCC1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000865589189 711830383 /nfs/dbraw/zinc/83/03/83/711830383.db2.gz IQJURXAKHRUINI-QLQQRZLESA-N 2 0 293.455 1.896 10 0 CDAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CC1CCOCC1)CC2 ZINC000923448640 711832568 /nfs/dbraw/zinc/83/25/68/711832568.db2.gz DZMRKZZOPXOIFZ-CQSZACIVSA-N 2 0 268.401 1.243 10 0 CDAERP C[C@@H]1COC[C@@H]1[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000925158285 711833556 /nfs/dbraw/zinc/83/35/56/711833556.db2.gz YRRYWDNDBXBREM-CVEARBPZSA-N 2 0 295.471 1.561 10 0 CDAERP Cc1oncc1C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001569189286 1167554617 /nfs/dbraw/zinc/55/46/17/1167554617.db2.gz ZFGCCULZTYUDJC-AWEZNQCLSA-N 2 0 294.399 1.015 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1CC1=CCCCC1 ZINC001569372787 1167558745 /nfs/dbraw/zinc/55/87/45/1167558745.db2.gz HJOCNKDZLHWQHR-OAHLLOKOSA-N 2 0 279.428 1.629 10 0 CDAERP C[NH2+][C@@H](C)Cc1noc(C2(C(F)(F)F)CC[NH2+]CC2)n1 ZINC001646237175 1167716652 /nfs/dbraw/zinc/71/66/52/1167716652.db2.gz GNCRJCQDTPBIBN-QMMMGPOBSA-N 2 0 292.305 1.404 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCCF)C1 ZINC001566841835 1168037448 /nfs/dbraw/zinc/03/74/48/1168037448.db2.gz HSBFGLHRZJHTKL-MJBXVCDLSA-N 2 0 285.407 1.457 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]CC[C@@H](C)F)C1 ZINC001567151865 1168046448 /nfs/dbraw/zinc/04/64/48/1168046448.db2.gz ULNIHCNXLOSVPP-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001566633387 1168363722 /nfs/dbraw/zinc/36/37/22/1168363722.db2.gz UWCWQMVPNJZWBO-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001566903847 1168461480 /nfs/dbraw/zinc/46/14/80/1168461480.db2.gz WKZTZALFUVMZGN-OAHLLOKOSA-N 2 0 281.444 1.733 10 0 CDAERP CC[C@@H](C(=O)N1CC[C@H](CC[NH2+]CCC2CC2)C1)[NH+](C)C ZINC001272565893 913453042 /nfs/dbraw/zinc/45/30/42/913453042.db2.gz PQPCGEDERWFEMW-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001266285139 894125753 /nfs/dbraw/zinc/12/57/53/894125753.db2.gz OEMHITAPDINWGO-ZDUSSCGKSA-N 2 0 255.406 1.317 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001266517665 895195289 /nfs/dbraw/zinc/19/52/89/895195289.db2.gz MAYSONGYDCKVRI-HNNXBMFYSA-N 2 0 293.455 1.875 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001266683076 895818700 /nfs/dbraw/zinc/81/87/00/895818700.db2.gz HAKVTMSMXCSRCT-QLFBSQMISA-N 2 0 281.444 1.896 10 0 CDAERP CCC[N@@H+]1CCC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001266770508 896012547 /nfs/dbraw/zinc/01/25/47/896012547.db2.gz XPKIYFKMICPZLD-CQSZACIVSA-N 2 0 267.417 1.320 10 0 CDAERP CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267058163 896655270 /nfs/dbraw/zinc/65/52/70/896655270.db2.gz HVUYPUHRHGGEDD-STQMWFEESA-N 2 0 255.406 1.175 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC[C@@H](C)[NH2+]CCCF)CC[N@@H+]1C ZINC001267129759 896880813 /nfs/dbraw/zinc/88/08/13/896880813.db2.gz XAFXGBKBHDILSI-HZSPNIEDSA-N 2 0 287.423 1.561 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001267243393 897308981 /nfs/dbraw/zinc/30/89/81/897308981.db2.gz WURIPGUQABTDNF-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CCCF ZINC001283623078 898224000 /nfs/dbraw/zinc/22/40/00/898224000.db2.gz UNCQDKUDYYOFRB-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CC1CCC1 ZINC001480975425 898416588 /nfs/dbraw/zinc/41/65/88/898416588.db2.gz SKUNDWOXBDLADS-MRXNPFEDSA-N 2 0 293.455 1.566 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CCCCCF)C1 ZINC001481084639 898769712 /nfs/dbraw/zinc/76/97/12/898769712.db2.gz VHPLUXROWWJNOQ-LSDHHAIUSA-N 2 0 299.434 1.659 10 0 CDAERP O=C(NCC[N@H+](CC1CC1)C1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001481170076 899041423 /nfs/dbraw/zinc/04/14/23/899041423.db2.gz CRSGPYXXLQMNGI-INIZCTEOSA-N 2 0 291.439 1.319 10 0 CDAERP CC(C)[N@H+](CCNC(=O)CC[C@H]1CCC[NH+]1C)C1CC1 ZINC001481173134 899049721 /nfs/dbraw/zinc/04/97/21/899049721.db2.gz SEZXLVBRDNAMRW-CQSZACIVSA-N 2 0 281.444 1.850 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH+](CCCF)C2CC2)C1 ZINC001481194879 899107166 /nfs/dbraw/zinc/10/71/66/899107166.db2.gz XMYHJNOBDVYLHQ-ZDUSSCGKSA-N 2 0 285.407 1.268 10 0 CDAERP CCCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001496372177 900261469 /nfs/dbraw/zinc/26/14/69/900261469.db2.gz VRTYXBOUWJGYBA-HUUCEWRRSA-N 2 0 281.444 1.709 10 0 CDAERP CCCC[NH2+]CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001481302357 900263964 /nfs/dbraw/zinc/26/39/64/900263964.db2.gz LGLBKSKMJUUXMM-ZDUSSCGKSA-N 2 0 255.406 1.176 10 0 CDAERP CCC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001481372964 900504846 /nfs/dbraw/zinc/50/48/46/900504846.db2.gz SQQXHMIZGYEUSI-HZPDHXFCSA-N 2 0 289.423 1.795 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NCC[C@H]2CC[NH+](CCCF)C2)C1 ZINC001481455576 900726089 /nfs/dbraw/zinc/72/60/89/900726089.db2.gz BEFCZTSHAGHSFK-GJZGRUSLSA-N 2 0 299.434 1.516 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001268114140 901324028 /nfs/dbraw/zinc/32/40/28/901324028.db2.gz LGOZWRYSDMXWND-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CC[C@@H](C)F)C1)[NH+](C)C ZINC001481689916 901799423 /nfs/dbraw/zinc/79/94/23/901799423.db2.gz NOMAXWHGEXKVMM-RDBSUJKOSA-N 2 0 287.423 1.511 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)CC[NH2+]C/C=C\Cl)[NH+](C)C ZINC001268376417 901957759 /nfs/dbraw/zinc/95/77/59/901957759.db2.gz XRAQGNIHVXAUOR-WAIVJAFWSA-N 2 0 275.824 1.564 10 0 CDAERP CC(C)[NH2+]C/C=C/CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001268594402 902717449 /nfs/dbraw/zinc/71/74/49/902717449.db2.gz CLACWGUBMJUQIO-LQYUOIDQSA-N 2 0 281.444 1.921 10 0 CDAERP COC[C@H](C)[NH2+]C/C=C/CNC(=O)CC1CC[NH+](C)CC1 ZINC001268594191 902718908 /nfs/dbraw/zinc/71/89/08/902718908.db2.gz AKVZUPMKXLVBRC-NNTXTVRGSA-N 2 0 297.443 1.015 10 0 CDAERP CC1CC(C[NH2+]C/C=C/CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001268614795 902825258 /nfs/dbraw/zinc/82/52/58/902825258.db2.gz YRTNSVJIUNQDOR-NSCUHMNNSA-N 2 0 291.439 1.390 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC(C)C ZINC001268647897 902896073 /nfs/dbraw/zinc/89/60/73/902896073.db2.gz LGVIFTDAHIGDTI-ZIAGYGMSSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@H](C[NH2+]CCC1CC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001268651972 902899926 /nfs/dbraw/zinc/89/99/26/902899926.db2.gz UMRUZBSBNWAFRX-CYBMUJFWSA-N 2 0 279.428 1.509 10 0 CDAERP CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CC[NH+](C)C ZINC001268771652 903107230 /nfs/dbraw/zinc/10/72/30/903107230.db2.gz NRGGUNGHHQRUPN-STQMWFEESA-N 2 0 255.406 1.223 10 0 CDAERP CCCC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001269085495 903406277 /nfs/dbraw/zinc/40/62/77/903406277.db2.gz UKVVOHFTIIJFNN-LSDHHAIUSA-N 2 0 281.444 1.755 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC000710839297 903494539 /nfs/dbraw/zinc/49/45/39/903494539.db2.gz PLSKJSJUAAWHJM-HAQNSBGRSA-N 2 0 253.390 1.057 10 0 CDAERP CCOCC[N@@H+]1CC[C@@H](N(CC)C(=O)C[NH+]2CCCC2)C1 ZINC001269354776 903729483 /nfs/dbraw/zinc/72/94/83/903729483.db2.gz AUCBHKGXOKRHII-OAHLLOKOSA-N 2 0 297.443 1.042 10 0 CDAERP CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001269505517 903870357 /nfs/dbraw/zinc/87/03/57/903870357.db2.gz GXIXEYIRYDIWNV-OLZOCXBDSA-N 2 0 265.401 1.262 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]CCF)C2CCCC2)C1 ZINC001270458180 904653427 /nfs/dbraw/zinc/65/34/27/904653427.db2.gz KPXXAKZEUXIADY-KBPBESRZSA-N 2 0 285.407 1.172 10 0 CDAERP CC[C@H](C(=O)NCC1=CCN(C/C=C/Cl)CC1)[NH+](C)C ZINC001284976495 904660698 /nfs/dbraw/zinc/66/06/98/904660698.db2.gz IRBNMWCGGIHCFC-LHRNQBEKSA-N 2 0 299.846 1.827 10 0 CDAERP CC(C)=CC[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001270655522 904892053 /nfs/dbraw/zinc/89/20/53/904892053.db2.gz CYTKSEDAEJTQKX-MRXNPFEDSA-N 2 0 279.428 1.629 10 0 CDAERP CCCCC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001567882552 1169039337 /nfs/dbraw/zinc/03/93/37/1169039337.db2.gz OFGGOTUMEBNVDB-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP CC[NH2+][C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001271838196 906879741 /nfs/dbraw/zinc/87/97/41/906879741.db2.gz MHRZWDBRYDJZPY-UONOGXRCSA-N 2 0 267.417 1.079 10 0 CDAERP CC(C)[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCCF ZINC001482547209 906997286 /nfs/dbraw/zinc/99/72/86/906997286.db2.gz KOIXUUBXAMYBAT-KBPBESRZSA-N 2 0 287.423 1.561 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(CC)CC[NH2+]C[C@@H](C)OC)CC[N@@H+]1C ZINC001482925163 908496512 /nfs/dbraw/zinc/49/65/12/908496512.db2.gz MAGKDUFNNWNAEF-QLFBSQMISA-N 2 0 299.459 1.190 10 0 CDAERP CCN(CC[NH2+]CC1CC1)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001482963741 908545551 /nfs/dbraw/zinc/54/55/51/908545551.db2.gz XAEHUZOLEYTXER-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)C[NH2+]CCCF)C1 ZINC001483159534 909885558 /nfs/dbraw/zinc/88/55/58/909885558.db2.gz KBAPDTPXXRZLMK-ZIAGYGMSSA-N 2 0 287.423 1.562 10 0 CDAERP C[C@@H]([NH2+]CC1CC1)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001409357158 910323440 /nfs/dbraw/zinc/32/34/40/910323440.db2.gz KRGWAZJWXLICOJ-KGLIPLIRSA-N 2 0 293.455 1.755 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CCOC)C1 ZINC001507111396 910754997 /nfs/dbraw/zinc/75/49/97/910754997.db2.gz DALRFNIBERDNEX-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@@H](C[NH2+]CCF)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001483266744 910760573 /nfs/dbraw/zinc/76/05/73/910760573.db2.gz SPCNIHDUNOGPIO-ZDUSSCGKSA-N 2 0 295.402 1.468 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)NCc1nccs1 ZINC001507154122 910822377 /nfs/dbraw/zinc/82/23/77/910822377.db2.gz MEZXBCIPKDGQKD-NWDGAFQWSA-N 2 0 296.440 1.031 10 0 CDAERP CN(CCC[NH2+]CCC1CC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001483456345 911144632 /nfs/dbraw/zinc/14/46/32/911144632.db2.gz UCMQPMKGEJHFIQ-AWEZNQCLSA-N 2 0 267.417 1.319 10 0 CDAERP C[NH+](C)CC1(C(=O)N2CCC[C@H](CC[NH2+]CCF)C2)CC1 ZINC001568066423 1169131310 /nfs/dbraw/zinc/13/13/10/1169131310.db2.gz MZICRDRKFNWBCJ-CQSZACIVSA-N 2 0 299.434 1.516 10 0 CDAERP C[N@@H+]1C[C@]23C[NH+](CCOC4CC4)C[C@@]2(C1)CCCC3 ZINC001648662421 1169149212 /nfs/dbraw/zinc/14/92/12/1169149212.db2.gz ZZIGJWILHKTCSA-IYBDPMFKSA-N 2 0 264.413 1.973 10 0 CDAERP Cc1nocc1C[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001483942258 915216674 /nfs/dbraw/zinc/21/66/74/915216674.db2.gz HHMOAKDYQQOBRR-AWEZNQCLSA-N 2 0 294.399 1.015 10 0 CDAERP CCCC[N@@H+]1CCC[C@](CO)(NC(=O)C[NH+](C)CCC)C1 ZINC001484447626 915786604 /nfs/dbraw/zinc/78/66/04/915786604.db2.gz KUNUZVWZEXCBML-INIZCTEOSA-N 2 0 299.459 1.071 10 0 CDAERP CC(C)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001272688818 916061491 /nfs/dbraw/zinc/06/14/91/916061491.db2.gz RYQNVIJNQWDUKU-OLZOCXBDSA-N 2 0 255.406 1.221 10 0 CDAERP CCCCC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001484897512 916252961 /nfs/dbraw/zinc/25/29/61/916252961.db2.gz MZIBYLMFBNSXPR-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP Cc1cc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CCC[NH+](C)C)on1 ZINC001485190284 916650675 /nfs/dbraw/zinc/65/06/75/916650675.db2.gz ZVGWLBXFSPLPPI-STQMWFEESA-N 2 0 296.415 1.308 10 0 CDAERP CCCC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001485696847 917199598 /nfs/dbraw/zinc/19/95/98/917199598.db2.gz YUZCDMVQIRGHEG-RBSFLKMASA-N 2 0 281.444 1.613 10 0 CDAERP CCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001272822620 919754644 /nfs/dbraw/zinc/75/46/44/919754644.db2.gz GTCHWNMSLPAHTH-KBPBESRZSA-N 2 0 269.433 1.755 10 0 CDAERP CC[C@H](F)C[NH2+][C@@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001485956672 920606304 /nfs/dbraw/zinc/60/63/04/920606304.db2.gz ZRCYNPRHYRAYAJ-STQMWFEESA-N 2 0 273.396 1.267 10 0 CDAERP C[C@@H]1[C@@H]([NH2+]CCC2CC2)CCN1C(=O)CC[NH+](C)C ZINC001486083119 920686358 /nfs/dbraw/zinc/68/63/58/920686358.db2.gz AZQQRLZZDJETBQ-OCCSQVGLSA-N 2 0 267.417 1.317 10 0 CDAERP CC(C)[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H]1C ZINC001486092183 920692528 /nfs/dbraw/zinc/69/25/28/920692528.db2.gz MPIYQWFIIIJCEQ-UONOGXRCSA-N 2 0 269.433 1.706 10 0 CDAERP COCCC[NH2+][C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001490901970 936679782 /nfs/dbraw/zinc/67/97/82/936679782.db2.gz IRGOVHNXQHAEHW-KKUMJFAQSA-N 2 0 297.443 1.134 10 0 CDAERP CC(C)[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001486135847 920741901 /nfs/dbraw/zinc/74/19/01/920741901.db2.gz RGGXWVCBUYQLKG-CHWSQXEVSA-N 2 0 255.406 1.314 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCCC2CCC2)C1 ZINC001490916888 936726796 /nfs/dbraw/zinc/72/67/96/936726796.db2.gz LEEAOZOXLXUISA-BZUAXINKSA-N 2 0 293.455 1.898 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001491017927 936842945 /nfs/dbraw/zinc/84/29/45/936842945.db2.gz CVAAUDYWFSLOCD-XHJNMGKDSA-N 2 0 285.407 1.312 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001491117533 936860413 /nfs/dbraw/zinc/86/04/13/936860413.db2.gz IQZHUHBZAUHJLK-CABCVRRESA-N 2 0 281.444 1.566 10 0 CDAERP CCc1ncc(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)o1 ZINC000923442370 923836498 /nfs/dbraw/zinc/83/64/98/923836498.db2.gz PACLZFZAWVEGLT-GFCCVEGCSA-N 2 0 279.384 1.567 10 0 CDAERP COCCC[NH2+][C@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001491455153 936919329 /nfs/dbraw/zinc/91/93/29/936919329.db2.gz DJWBXWRMEGZMQO-CQSZACIVSA-N 2 0 299.459 1.382 10 0 CDAERP CCN(CC[NH2+]C[C@@H]1CC[C@H](C)O1)C(=O)C[NH+]1CCCC1 ZINC001273752021 925213389 /nfs/dbraw/zinc/21/33/89/925213389.db2.gz CSJDPFSQLWSECX-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001410236064 925438602 /nfs/dbraw/zinc/43/86/02/925438602.db2.gz KECWPYAQJVGOMH-MGPQQGTHSA-N 2 0 299.434 1.703 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N(C)[C@H](C[NH2+]CC2CC2)C2CC2)C1 ZINC001410308974 925511486 /nfs/dbraw/zinc/51/14/86/925511486.db2.gz KOVIGLLGUPOKAS-XJKSGUPXSA-N 2 0 293.455 1.565 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1cncs1 ZINC001410508319 925850348 /nfs/dbraw/zinc/85/03/48/925850348.db2.gz LMAFGSNSIMXFJH-GFCCVEGCSA-N 2 0 298.456 1.420 10 0 CDAERP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@H+](CCCF)C1 ZINC001494732859 926604449 /nfs/dbraw/zinc/60/44/49/926604449.db2.gz QBYCQNLIVQLAKM-ZDUSSCGKSA-N 2 0 273.396 1.268 10 0 CDAERP CCC[NH2+][C@H]1C[C@@H](CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001488802987 926695976 /nfs/dbraw/zinc/69/59/76/926695976.db2.gz BHOVZIUFVXKZOZ-TUVASFSCSA-N 2 0 281.444 1.754 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]C(C)C)[C@H](OCC)C1 ZINC001489020081 926778276 /nfs/dbraw/zinc/77/82/76/926778276.db2.gz GBEMBWDHRUJRSI-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC=C(C)C)[C@@H]1C)[NH+](C)C ZINC001489273662 926860511 /nfs/dbraw/zinc/86/05/11/926860511.db2.gz GSQVMJAIMAXOEO-QLFBSQMISA-N 2 0 281.444 1.872 10 0 CDAERP CCCC[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001490741994 927314509 /nfs/dbraw/zinc/31/45/09/927314509.db2.gz YPWQBSIGYKODGD-CQSZACIVSA-N 2 0 267.417 1.367 10 0 CDAERP CN1CC[NH+](CCCC[NH2+]Cc2ccnc(F)c2)CC1 ZINC000858097039 928802966 /nfs/dbraw/zinc/80/29/66/928802966.db2.gz YCSLMPLVMFHGPY-UHFFFAOYSA-N 2 0 280.391 1.338 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]CC=C(C)C)CC[N@@H+]1C ZINC001321850386 931647022 /nfs/dbraw/zinc/64/70/22/931647022.db2.gz XWTWUJZNKBAWQW-SOUVJXGZSA-N 2 0 281.444 1.777 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CCCN2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000724265244 931757301 /nfs/dbraw/zinc/75/73/01/931757301.db2.gz UOALBAITXZJOAY-FICVDOATSA-N 2 0 269.433 1.170 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H](Cn1ccnc1)C(C)(C)C ZINC000234743414 932586954 /nfs/dbraw/zinc/58/69/54/932586954.db2.gz ZQMUSQLMDBJXGT-KGLIPLIRSA-N 3 0 282.432 1.641 10 0 CDAERP CCCC[C@@H](C[NH2+]CC)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001276255309 932692327 /nfs/dbraw/zinc/69/23/27/932692327.db2.gz NCXZQAFLWYTJPY-KBPBESRZSA-N 2 0 269.433 1.755 10 0 CDAERP CO[C@H](C)[C@H](C)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925799512 932940360 /nfs/dbraw/zinc/94/03/60/932940360.db2.gz VLOKEFABRHLYLC-XQQFMLRXSA-N 2 0 256.390 1.158 10 0 CDAERP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925845448 932946210 /nfs/dbraw/zinc/94/62/10/932946210.db2.gz HDECPWARXUAPRZ-HZPDHXFCSA-N 3 0 282.476 1.312 10 0 CDAERP CCOC(=O)/C=C\C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000691899826 933175588 /nfs/dbraw/zinc/17/55/88/933175588.db2.gz XLJKMBNLXDXDSU-PLNGDYQASA-N 2 0 280.412 1.914 10 0 CDAERP C[NH+](C)C1(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)CCCC1 ZINC001413418057 936023915 /nfs/dbraw/zinc/02/39/15/936023915.db2.gz ZMNZJMDGYXJBIN-KBPBESRZSA-N 2 0 279.428 1.413 10 0 CDAERP C[C@@H](NC(=O)C[NH+]1CCCC1)C1C[NH+](CCCCCF)C1 ZINC001276462158 939763690 /nfs/dbraw/zinc/76/36/90/939763690.db2.gz XUZSGHOMCYXSLO-CQSZACIVSA-N 2 0 299.434 1.659 10 0 CDAERP [NH3+][C@H]1C[C@H]([NH2+][C@H](CO)Cc2ccccc2)C12CCC2 ZINC000405245742 940975653 /nfs/dbraw/zinc/97/56/53/940975653.db2.gz ZUUFTLNEHCCVDM-KKUMJFAQSA-N 2 0 260.381 1.450 10 0 CDAERP CC(C)[C@H](CN[C@H]1C[C@@H]([NH3+])C12CCC2)[NH+]1CCCC1 ZINC000405322550 940981088 /nfs/dbraw/zinc/98/10/88/940981088.db2.gz VNLHCOUDEOZQCM-ZNMIVQPWSA-N 2 0 265.445 1.966 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)CCc2nccn2C)CC1 ZINC001277125438 941998109 /nfs/dbraw/zinc/99/81/09/941998109.db2.gz QLNSJZLWHCNEDM-UHFFFAOYSA-N 2 0 278.400 1.391 10 0 CDAERP CC(C)[NH2+]C1(CNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001277209088 942177409 /nfs/dbraw/zinc/17/74/09/942177409.db2.gz KVLUFNVWTLXRGV-UHFFFAOYSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001277356400 942418665 /nfs/dbraw/zinc/41/86/65/942418665.db2.gz RMCZGUGGPFRWQX-UONOGXRCSA-N 2 0 269.433 1.469 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1([NH2+]CCCF)CCC1 ZINC001280485377 942452747 /nfs/dbraw/zinc/45/27/47/942452747.db2.gz LAFMOCCTINWPPH-CQSZACIVSA-N 2 0 299.434 1.849 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NC2CC(C[NH2+]CCF)C2)CC[N@@H+]1C ZINC001282046403 942650609 /nfs/dbraw/zinc/65/06/09/942650609.db2.gz WBECZNFPMHRAQA-AHPWVWPOSA-N 2 0 285.407 1.171 10 0 CDAERP C[C@H](NC(=O)CCCC[NH+](C)C)C1C[NH+](CC2CC2)C1 ZINC001282738989 942746894 /nfs/dbraw/zinc/74/68/94/942746894.db2.gz RRXCGJQLKMYIQB-ZDUSSCGKSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]CCCCCF)CN1C(=O)CC[NH+](C)C ZINC001284002582 943045883 /nfs/dbraw/zinc/04/58/83/943045883.db2.gz HBZFSGLJYQHALT-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CC2CC2)CN1C(=O)CCCC[NH+](C)C ZINC001284027456 943052591 /nfs/dbraw/zinc/05/25/91/943052591.db2.gz VMLUJGSCJMUOOR-HIFRSBDPSA-N 2 0 281.444 1.707 10 0 CDAERP CN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)[C@H]1CCC[N@H+](C)C1 ZINC001362178096 970980663 /nfs/dbraw/zinc/98/06/63/970980663.db2.gz OZRXQZKTFJBUCO-KKUMJFAQSA-N 2 0 281.444 1.659 10 0 CDAERP CC(C)[NH2+]CCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC000722133047 943922901 /nfs/dbraw/zinc/92/29/01/943922901.db2.gz MNSJOGYXEWMUJJ-UHFFFAOYSA-N 2 0 267.417 1.319 10 0 CDAERP CC/C=C\CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001263827943 943991394 /nfs/dbraw/zinc/99/13/94/943991394.db2.gz UTHAHFPCIVCXQJ-GKLROCHGSA-N 2 0 293.455 1.921 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCCC[C@H]([NH2+]CCCF)C1 ZINC001264114936 944080311 /nfs/dbraw/zinc/08/03/11/944080311.db2.gz NWPWDIMKPVLZMG-LSDHHAIUSA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001277938068 944128664 /nfs/dbraw/zinc/12/86/64/944128664.db2.gz NSQSMMAZTRPRDK-OLZOCXBDSA-N 2 0 255.406 1.173 10 0 CDAERP CCC[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@H+](C)CCC)C1 ZINC001264487020 944142270 /nfs/dbraw/zinc/14/22/70/944142270.db2.gz OQRIWHCCGVXNAC-UONOGXRCSA-N 2 0 269.433 1.613 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)C ZINC001265143283 944237285 /nfs/dbraw/zinc/23/72/85/944237285.db2.gz CYZHXAPATJZQTH-CQSZACIVSA-N 2 0 271.449 1.809 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCCF)C1 ZINC001265448025 944390611 /nfs/dbraw/zinc/39/06/11/944390611.db2.gz HPADYAZQFQYWBW-GJZGRUSLSA-N 2 0 299.434 1.799 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCC(C)C)C1 ZINC001265455980 944393997 /nfs/dbraw/zinc/39/39/97/944393997.db2.gz AVQJKBDCRUQZQR-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]CCCC(C)(C)C)C2)C1 ZINC001265458440 944396479 /nfs/dbraw/zinc/39/64/79/944396479.db2.gz XDJVCODAKPDKAO-GJZGRUSLSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+]CCCF ZINC001265690256 944471658 /nfs/dbraw/zinc/47/16/58/944471658.db2.gz VJULCKIIFGFNMU-CQSZACIVSA-N 2 0 287.423 1.659 10 0 CDAERP CC(C)CC[NH2+]C[C@@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001277982157 944485902 /nfs/dbraw/zinc/48/59/02/944485902.db2.gz RZHRXYFRPIYWFI-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](C(=O)N1CC[C@H]([NH2+]CCOCC(C)C)C1)[NH+](C)C ZINC001265914255 944572162 /nfs/dbraw/zinc/57/21/62/944572162.db2.gz IQRXIMJIIOSNOF-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001266094456 944677823 /nfs/dbraw/zinc/67/78/23/944677823.db2.gz UWCUCNKUFMSDJW-CVEARBPZSA-N 2 0 293.455 1.970 10 0 CDAERP CCC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001266126366 944698690 /nfs/dbraw/zinc/69/86/90/944698690.db2.gz VFWSHYZMGXJECT-CQSZACIVSA-N 2 0 267.417 1.461 10 0 CDAERP C[NH+](C)C1(C(=O)NC/C=C/C[NH2+]CCCF)CCC1 ZINC001568862593 1169523254 /nfs/dbraw/zinc/52/32/54/1169523254.db2.gz LOTDRJSTGBVFGQ-ONEGZZNKSA-N 2 0 271.380 1.092 10 0 CDAERP C[C@@H]1CCc2nc(C[NH2+]CCOCCC[NH3+])sc2C1 ZINC001261835395 946295019 /nfs/dbraw/zinc/29/50/19/946295019.db2.gz ULMLLZVNZNNYFJ-LLVKDONJSA-N 2 0 283.441 1.723 10 0 CDAERP C[NH+](C)CCC(=O)NC/C=C\C[NH2+]CCC(C)(C)C ZINC001568911493 1169546316 /nfs/dbraw/zinc/54/63/16/1169546316.db2.gz FKYKCZZJMOZTMY-SREVYHEPSA-N 2 0 269.433 1.636 10 0 CDAERP CCC(CC)C[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001479812094 971433595 /nfs/dbraw/zinc/43/35/95/971433595.db2.gz GFPMHNJDVQDFEE-OAHLLOKOSA-N 2 0 283.460 1.812 10 0 CDAERP CC(C)[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001279024172 948611463 /nfs/dbraw/zinc/61/14/63/948611463.db2.gz GSFVEIMNDDKMQL-CHWSQXEVSA-N 2 0 255.406 1.173 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]C/C=C/Cl)C1 ZINC001480107363 971580748 /nfs/dbraw/zinc/58/07/48/971580748.db2.gz VNUADSDRVFHFCF-NDYVEPOPSA-N 2 0 271.792 1.024 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001480364779 971689361 /nfs/dbraw/zinc/68/93/61/971689361.db2.gz FMQGSXNCRMNETR-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP C[C@@H](C(=O)N1CC[C@H]([NH2+]CCCF)C1)[NH+]1CCCCCC1 ZINC001480620882 971813381 /nfs/dbraw/zinc/81/33/81/971813381.db2.gz APMJCJSGIPCQLQ-GJZGRUSLSA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCF)C1 ZINC001480653727 971826193 /nfs/dbraw/zinc/82/61/93/971826193.db2.gz ORUNAFXTBMNWMJ-CABCVRRESA-N 2 0 299.434 1.514 10 0 CDAERP CC(C)=CC[N@@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001480734371 971856300 /nfs/dbraw/zinc/85/63/00/971856300.db2.gz DUZUCYGIOAICNC-OAHLLOKOSA-N 2 0 281.444 1.827 10 0 CDAERP C[C@H](CCNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC1CC1 ZINC001480803986 971885723 /nfs/dbraw/zinc/88/57/23/971885723.db2.gz OGQFMTKOKYGSKC-TZMCWYRMSA-N 2 0 267.417 1.223 10 0 CDAERP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)CC[NH+]1CC[C@H](F)C1 ZINC001363139903 971919972 /nfs/dbraw/zinc/91/99/72/971919972.db2.gz PNGBOOATNCBDSN-KBPBESRZSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H]3[C@H](CC[NH+]3C)C2)C1 ZINC001363567408 953466626 /nfs/dbraw/zinc/46/66/26/953466626.db2.gz ATJUNMFYYWAHBY-OWCLPIDISA-N 2 0 293.455 1.659 10 0 CDAERP CC(C)C[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001324674538 953511506 /nfs/dbraw/zinc/51/15/06/953511506.db2.gz RKOSXLVZYBFZCD-HNNXBMFYSA-N 2 0 267.417 1.319 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001493240237 971993803 /nfs/dbraw/zinc/99/38/03/971993803.db2.gz PWWVDDPCJIUXMV-CVEARBPZSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001326432352 954378996 /nfs/dbraw/zinc/37/89/96/954378996.db2.gz ROSLFKCKQVVOKU-CABCVRRESA-N 2 0 281.444 1.422 10 0 CDAERP C[C@]1(CNC(=O)[C@H]2CCCC[C@@H]2[NH3+])CCC[NH2+]C1 ZINC001326536488 954422910 /nfs/dbraw/zinc/42/29/10/954422910.db2.gz LVMXUNGMIKLGOX-OBJOEFQTSA-N 2 0 253.390 1.010 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC001294490603 954513803 /nfs/dbraw/zinc/51/38/03/954513803.db2.gz BDQPZEGHWOHZRL-ZDUSSCGKSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001491568689 955310324 /nfs/dbraw/zinc/31/03/24/955310324.db2.gz MBCQYTPDKGYLOK-LLVKDONJSA-N 2 0 299.365 1.511 10 0 CDAERP O[C@H]1CCCC[C@@H]1C[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001363331361 972090596 /nfs/dbraw/zinc/09/05/96/972090596.db2.gz ZUJNNRXVBXWMRR-PBHICJAKSA-N 2 0 296.455 1.771 10 0 CDAERP CCC(CC)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001491855781 955470100 /nfs/dbraw/zinc/47/01/00/955470100.db2.gz HBWYTQVVUDSFAV-JKSUJKDBSA-N 2 0 295.471 1.812 10 0 CDAERP CC(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001329113137 955694574 /nfs/dbraw/zinc/69/45/74/955694574.db2.gz WCKJEUSIJVEVMG-CHWSQXEVSA-N 2 0 269.433 1.467 10 0 CDAERP CC(C)(O)[C@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001365269645 955801398 /nfs/dbraw/zinc/80/13/98/955801398.db2.gz DQJQBQFHYNBRSU-HZPDHXFCSA-N 2 0 298.471 1.706 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2[C@H](CC[NH+]2CCCF)C1 ZINC001422250329 955885960 /nfs/dbraw/zinc/88/59/60/955885960.db2.gz SJNMUHOZXTYINE-CABCVRRESA-N 2 0 299.434 1.609 10 0 CDAERP C[C@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]Cc1nccs1 ZINC001422428064 955997513 /nfs/dbraw/zinc/99/75/13/955997513.db2.gz IIXFUSIGWSNXIA-RYUDHWBXSA-N 2 0 296.440 1.222 10 0 CDAERP CC[NH2+]CCCOC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001329787369 956113105 /nfs/dbraw/zinc/11/31/05/956113105.db2.gz OXYMQOOCGAMAEQ-OAHLLOKOSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CCF)C1 ZINC001480653732 956238137 /nfs/dbraw/zinc/23/81/37/956238137.db2.gz ORUNAFXTBMNWMJ-LSDHHAIUSA-N 2 0 299.434 1.514 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC001422727202 956294912 /nfs/dbraw/zinc/29/49/12/956294912.db2.gz AWOQDTPJWUINPZ-CYBMUJFWSA-N 2 0 295.471 1.811 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H]2C[NH+](CCC)C[C@H]2C1 ZINC001422878372 956420643 /nfs/dbraw/zinc/42/06/43/956420643.db2.gz ODBSTSFVZURSQS-ARFHVFGLSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC1CC1 ZINC001422973352 956486958 /nfs/dbraw/zinc/48/69/58/956486958.db2.gz XOGYDZYGPIQHCE-LSDHHAIUSA-N 2 0 281.444 1.469 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]CC1CCC1)C1CC1 ZINC001366037791 956526340 /nfs/dbraw/zinc/52/63/40/956526340.db2.gz BYKIUKDIEPEFCT-JKSUJKDBSA-N 2 0 293.455 1.755 10 0 CDAERP CCC[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001366048297 956532862 /nfs/dbraw/zinc/53/28/62/956532862.db2.gz HIKQGOXUNAZIQJ-AWEZNQCLSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1CC(C)C)[NH+](CC)CC ZINC001423131669 956610744 /nfs/dbraw/zinc/61/07/44/956610744.db2.gz BSOLAFGTSIFLOU-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1CC1CC(C)(C)C1 ZINC001423151378 956629226 /nfs/dbraw/zinc/62/92/26/956629226.db2.gz KSNUZIZWOKHQND-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](C)C[NH2+]C1(CNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001423232343 956680332 /nfs/dbraw/zinc/68/03/32/956680332.db2.gz WELUTIYTJYDHAR-CYBMUJFWSA-N 2 0 281.444 1.755 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H]1C ZINC001316778098 957010160 /nfs/dbraw/zinc/01/01/60/957010160.db2.gz GACFUZFKTLFUCP-QLFBSQMISA-N 2 0 297.443 1.086 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001366702498 957127813 /nfs/dbraw/zinc/12/78/13/957127813.db2.gz NLMKSAHQCRDYTD-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001424141442 957135784 /nfs/dbraw/zinc/13/57/84/957135784.db2.gz QRPIMGOMRBBNSR-OAHLLOKOSA-N 2 0 283.460 1.953 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC(CC)([NH2+]C[C@H](C)O)CC1 ZINC001424381936 957221037 /nfs/dbraw/zinc/22/10/37/957221037.db2.gz MSUJIDNUAJBDOI-AWEZNQCLSA-N 2 0 299.459 1.070 10 0 CDAERP COCC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001317068382 957243095 /nfs/dbraw/zinc/24/30/95/957243095.db2.gz YWIBVWBARDQTAN-HNNXBMFYSA-N 2 0 297.443 1.089 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001366901029 957259464 /nfs/dbraw/zinc/25/94/64/957259464.db2.gz JPMOQWKVIKCBHX-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1conc1C ZINC001424854323 957384533 /nfs/dbraw/zinc/38/45/33/957384533.db2.gz VPNJOWUYJUUWEB-NEPJUHHUSA-N 2 0 296.415 1.308 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001317301611 957411811 /nfs/dbraw/zinc/41/18/11/957411811.db2.gz WFBSIIYUGWTHBK-UONOGXRCSA-N 2 0 267.417 1.461 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001332064682 957421245 /nfs/dbraw/zinc/42/12/45/957421245.db2.gz OPUJQKNJNZHUTM-GJZGRUSLSA-N 2 0 281.444 1.872 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CCCNC(=O)C[NH+]1CCCC1 ZINC001317433620 957469649 /nfs/dbraw/zinc/46/96/49/957469649.db2.gz FRXJFKDGUUWBJG-CQSZACIVSA-N 2 0 267.417 1.463 10 0 CDAERP CC[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)CC1CC1 ZINC001317491124 957509754 /nfs/dbraw/zinc/50/97/54/957509754.db2.gz QCBAKAFIHJDSNH-CQSZACIVSA-N 2 0 267.417 1.176 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001317523895 957529545 /nfs/dbraw/zinc/52/95/45/957529545.db2.gz UTJYYZHWBDQPTH-MSNYOWOLSA-N 2 0 293.455 1.875 10 0 CDAERP CN(CC[NH2+]CC[C@H]1CCCO1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001317600679 957591995 /nfs/dbraw/zinc/59/19/95/957591995.db2.gz MCKSASDNYCMYHV-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCC1 ZINC001494667579 972282879 /nfs/dbraw/zinc/28/28/79/972282879.db2.gz ITAFANQQBZIWMV-KBPBESRZSA-N 2 0 265.401 1.023 10 0 CDAERP CC(C)C[C@@H](C[NH2+]C(C)C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001367423690 958005358 /nfs/dbraw/zinc/00/53/58/958005358.db2.gz KIQGYOSUXBRQQL-CABCVRRESA-N 2 0 283.460 1.857 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C)C[NH2+]CC1CC(C)(C)C1)[NH+](C)C ZINC001367700479 958232735 /nfs/dbraw/zinc/23/27/35/958232735.db2.gz VELWXYWFQKNDEO-OCCSQVGLSA-N 2 0 283.460 1.857 10 0 CDAERP Cc1cc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)on1 ZINC001367741074 958287998 /nfs/dbraw/zinc/28/79/98/958287998.db2.gz PYGVMTGXFYOUTG-GXTWGEPZSA-N 2 0 294.399 1.062 10 0 CDAERP C[C@@H](C[N@H+](C)CCC1CCCC1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001367860077 958439174 /nfs/dbraw/zinc/43/91/74/958439174.db2.gz WLVQITFQFYYLPQ-GOEBONIOSA-N 2 0 295.471 1.955 10 0 CDAERP Cc1ccnc(N)c1C[NH2+]CCC1CC[NH+](C)CC1 ZINC001333705182 958532161 /nfs/dbraw/zinc/53/21/61/958532161.db2.gz NNLMLDLCOVADFX-UHFFFAOYSA-N 2 0 262.401 1.794 10 0 CDAERP CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CCCF)[NH+](C)C ZINC001319533726 958614700 /nfs/dbraw/zinc/61/47/00/958614700.db2.gz JMTJMZOJXDTRGJ-NEPJUHHUSA-N 2 0 261.385 1.123 10 0 CDAERP CC(C)COCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001319574948 958638470 /nfs/dbraw/zinc/63/84/70/958638470.db2.gz QQBGVYYKBHOCDN-GJZGRUSLSA-N 2 0 299.459 1.047 10 0 CDAERP CC(C)C[NH2+]C[C@]1(C)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001368197756 958694991 /nfs/dbraw/zinc/69/49/91/958694991.db2.gz PREOPXIHARMPLO-RDJZCZTQSA-N 2 0 295.471 1.812 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC1CC1 ZINC001368396751 958813212 /nfs/dbraw/zinc/81/32/12/958813212.db2.gz NDVIXPVLPXKMAW-CVEARBPZSA-N 2 0 293.455 1.804 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](CC)[NH2+]CCF)C1 ZINC001495040965 972384136 /nfs/dbraw/zinc/38/41/36/972384136.db2.gz IOMPREPSIGZWDD-KBPBESRZSA-N 2 0 287.423 1.562 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001368481174 958888791 /nfs/dbraw/zinc/88/87/91/958888791.db2.gz YMSSHIJRNFIPLJ-MELADBBJSA-N 2 0 299.434 1.703 10 0 CDAERP CC[C@H](F)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001368665560 959027491 /nfs/dbraw/zinc/02/74/91/959027491.db2.gz SCAQETKHTOQYEP-UONOGXRCSA-N 2 0 299.434 1.799 10 0 CDAERP CC(C)CC[NH2+][C@H](C)[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001368881351 959223718 /nfs/dbraw/zinc/22/37/18/959223718.db2.gz GTLYCGXBTRHZFC-ZIAGYGMSSA-N 2 0 283.460 1.857 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H](C)CC[NH2+]CC1CC1)[NH+](C)C ZINC001320615516 959274656 /nfs/dbraw/zinc/27/46/56/959274656.db2.gz UFLDNHCDULKMDH-OCCSQVGLSA-N 2 0 269.433 1.467 10 0 CDAERP CCCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001368952535 959320110 /nfs/dbraw/zinc/32/01/10/959320110.db2.gz DDSBLJFAPIZUPV-QLFBSQMISA-N 2 0 283.460 1.953 10 0 CDAERP CCCC[NH+]1CC([C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001369100716 959457676 /nfs/dbraw/zinc/45/76/76/959457676.db2.gz YTRJMXYGMXUSQQ-ZIAGYGMSSA-N 2 0 281.444 1.565 10 0 CDAERP CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001369127823 959476203 /nfs/dbraw/zinc/47/62/03/959476203.db2.gz WYCCSJOUKYPRSI-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1cnc(C)s1)[NH+](C)C ZINC001371247661 972432755 /nfs/dbraw/zinc/43/27/55/972432755.db2.gz MUXDDLGEJQGCJO-ZWNOBZJWSA-N 2 0 298.456 1.386 10 0 CDAERP CC(C)(C(=O)NC/C=C/C[NH2+]CCCF)[NH+]1CCCCC1 ZINC001321065721 959568593 /nfs/dbraw/zinc/56/85/93/959568593.db2.gz WBSDFLMQFLSEFH-SNAWJCMRSA-N 2 0 299.434 1.873 10 0 CDAERP CC(C)C[NH2+]C/C=C\CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001321110712 959596733 /nfs/dbraw/zinc/59/67/33/959596733.db2.gz MQFLWRPLTZIARP-UDLYIEAKSA-N 2 0 293.455 1.921 10 0 CDAERP CCCC[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001321206851 959657690 /nfs/dbraw/zinc/65/76/90/959657690.db2.gz ANWMJLSGRGJFLQ-BEWKBBBFSA-N 2 0 281.444 1.779 10 0 CDAERP CC(C)C[C@H](C)C[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001321391678 959765809 /nfs/dbraw/zinc/76/58/09/959765809.db2.gz GTLICIZMUMOWOT-DKLOGILVSA-N 2 0 295.471 1.882 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H](C)C[NH2+]C(C)C ZINC001321533322 959838657 /nfs/dbraw/zinc/83/86/57/959838657.db2.gz VMQAUODORLATRT-VXGBXAGGSA-N 2 0 261.385 1.169 10 0 CDAERP COC[C@@H](C)[N@@H+]1CCC[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001370788926 960201022 /nfs/dbraw/zinc/20/10/22/960201022.db2.gz JMPOBYYOQSWAOY-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H]1CC[NH+](CCF)C1 ZINC001418891727 961137744 /nfs/dbraw/zinc/13/77/44/961137744.db2.gz PMHSCNQSZQVVSE-LSDHHAIUSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CCNC(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001418908429 961145437 /nfs/dbraw/zinc/14/54/37/961145437.db2.gz OZVMCHHGIZYVNW-KBPBESRZSA-N 2 0 292.427 1.825 10 0 CDAERP CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001324173724 961213138 /nfs/dbraw/zinc/21/31/38/961213138.db2.gz AWWXXHSQIJHEFG-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@@H](C)[NH+](C)C ZINC001434413706 961329714 /nfs/dbraw/zinc/32/97/14/961329714.db2.gz GHWMRSOJOHOXEH-ILXRZTDVSA-N 2 0 281.444 1.658 10 0 CDAERP OC1(C[NH+]2CCCCC2)CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC001434508624 961578891 /nfs/dbraw/zinc/57/88/91/961578891.db2.gz KHBSCQVVIUDJNZ-INIZCTEOSA-N 2 0 296.455 1.868 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001419412525 961673241 /nfs/dbraw/zinc/67/32/41/961673241.db2.gz IMGSRFKDGLCQSJ-JHJVBQTASA-N 2 0 285.407 1.456 10 0 CDAERP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CCC(C)(C)C ZINC001419839812 962148804 /nfs/dbraw/zinc/14/88/04/962148804.db2.gz PEPQYFPKHVMHMJ-CYBMUJFWSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1ccsc1 ZINC001419845959 962156849 /nfs/dbraw/zinc/15/68/49/962156849.db2.gz WOAULLTWGWTQHQ-LBPRGKRZSA-N 2 0 295.452 1.684 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001436355905 962207731 /nfs/dbraw/zinc/20/77/31/962207731.db2.gz PLTZEZFGBSZJJP-FZNQNYSPSA-N 2 0 295.471 1.859 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@@H](C[NH2+]C(C)C)C1 ZINC001419986988 962332351 /nfs/dbraw/zinc/33/23/51/962332351.db2.gz JMYDIFNFVZZOJJ-UONOGXRCSA-N 2 0 287.423 1.513 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001436949243 962521347 /nfs/dbraw/zinc/52/13/47/962521347.db2.gz JQWDRUBCCKIYCX-BYNSBNAKSA-N 2 0 297.418 1.313 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001436949250 962522196 /nfs/dbraw/zinc/52/21/96/962522196.db2.gz JQWDRUBCCKIYCX-KBXIAJHMSA-N 2 0 297.418 1.313 10 0 CDAERP CC(C)C[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001436981176 962539510 /nfs/dbraw/zinc/53/95/10/962539510.db2.gz ZBOVSPYJOIUSME-GASCZTMLSA-N 2 0 281.444 1.755 10 0 CDAERP CCC(CC)C[NH2+][C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001437237368 962760061 /nfs/dbraw/zinc/76/00/61/962760061.db2.gz OWHGEKAZFFVLOK-ZDUSSCGKSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001437310614 962798535 /nfs/dbraw/zinc/79/85/35/962798535.db2.gz KTIBWUDWEGIHRU-JYJNAYRXSA-N 2 0 295.471 1.811 10 0 CDAERP Cc1conc1C[NH2+][C@H](C)CCNC(=O)C[N@H+](C)C(C)C ZINC001437428620 962883243 /nfs/dbraw/zinc/88/32/43/962883243.db2.gz PKHJDZSFHOQAQS-CYBMUJFWSA-N 2 0 296.415 1.308 10 0 CDAERP C[C@@H](C[NH2+]CC1CC2(CCC2)C1)NC(=O)CC[NH+](C)C ZINC001420461346 962935485 /nfs/dbraw/zinc/93/54/85/962935485.db2.gz CGVJUCYMBKEUGG-ZDUSSCGKSA-N 2 0 281.444 1.613 10 0 CDAERP CCC[N@H+](C)CC(=O)NCC[NH+](C)C[C@@H]1CC(C)(C)CO1 ZINC001437551640 963009717 /nfs/dbraw/zinc/00/97/17/963009717.db2.gz SPHFOWAJALMJNB-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)CCC[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001420661733 963168498 /nfs/dbraw/zinc/16/84/98/963168498.db2.gz OZMHHVWUSPJSDK-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP C[N@H+](CCF)C[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001437980161 963269048 /nfs/dbraw/zinc/26/90/48/963269048.db2.gz RTLLVDRCQACJBP-HIFRSBDPSA-N 2 0 297.418 1.078 10 0 CDAERP CC[C@@H](C)C[NH+]1CC(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001438051174 963300487 /nfs/dbraw/zinc/30/04/87/963300487.db2.gz CIBUAAJAVVYLEI-UKRRQHHQSA-N 2 0 281.444 1.707 10 0 CDAERP O=C(C[NH+]1CCCC1)NCC1([NH2+]C/C=C\Cl)CC1 ZINC001421004924 963411418 /nfs/dbraw/zinc/41/14/18/963411418.db2.gz TWCQFPBDNOSELT-UTCJRWHESA-N 2 0 271.792 1.073 10 0 CDAERP CC(C)[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)C(C)C ZINC001438771925 963545926 /nfs/dbraw/zinc/54/59/26/963545926.db2.gz ZQKQEIPGCCEOCE-HUUCEWRRSA-N 2 0 283.460 1.952 10 0 CDAERP CN(CC[N@H+](C)CCCF)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001438873031 963584127 /nfs/dbraw/zinc/58/41/27/963584127.db2.gz KINMORKEXUTPQF-CQSZACIVSA-N 2 0 285.407 1.078 10 0 CDAERP COC[C@@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001439688134 963837443 /nfs/dbraw/zinc/83/74/43/963837443.db2.gz ORCZUBAHUHJQNR-KFWWJZLASA-N 2 0 297.443 1.038 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2(C)CC[NH+](CCF)CC2)C1 ZINC001439926828 963895239 /nfs/dbraw/zinc/89/52/39/963895239.db2.gz WLROWOBKNBKMGI-AWEZNQCLSA-N 2 0 299.434 1.516 10 0 CDAERP C[C@H](F)CC[NH+]1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001441002916 964323430 /nfs/dbraw/zinc/32/34/30/964323430.db2.gz AVECOLUBRQHCFI-ZDUSSCGKSA-N 2 0 287.423 1.609 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@@H]([NH2+]CCC1CC1)C1CC1 ZINC001441257738 964437328 /nfs/dbraw/zinc/43/73/28/964437328.db2.gz OZFMDDMCDHPXQC-OAHLLOKOSA-N 2 0 279.428 1.367 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]([NH2+]CCC2CC2)C1 ZINC001441381283 964486508 /nfs/dbraw/zinc/48/65/08/964486508.db2.gz BREWXRFYKZDXQI-BZUAXINKSA-N 2 0 293.455 1.898 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC([NH+](C)CCF)CC1 ZINC001441395846 964495339 /nfs/dbraw/zinc/49/53/39/964495339.db2.gz MLTIGNXWZNCGQL-UHFFFAOYSA-N 2 0 273.396 1.219 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+][C@H](C)c1ccccc1F ZINC001441938918 964797756 /nfs/dbraw/zinc/79/77/56/964797756.db2.gz MULYSLKSRUBLNI-CHWSQXEVSA-N 2 0 295.402 1.933 10 0 CDAERP C[C@H](NC(=O)[C@H]1CCCC[C@@H]1[NH3+])C(C)(C)C[NH+](C)C ZINC001346104646 964924994 /nfs/dbraw/zinc/92/49/94/964924994.db2.gz CPMKKPQIEZUPHA-AVGNSLFASA-N 2 0 269.433 1.596 10 0 CDAERP C[NH+](C)CC1(C(=O)NCC[N@H+](C)CC2CCCC2)CC1 ZINC001442512379 965099862 /nfs/dbraw/zinc/09/98/62/965099862.db2.gz XGMYZZNJHXFKLG-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CCC[NH+]2CC2CC2)C1 ZINC001442809963 965227460 /nfs/dbraw/zinc/22/74/60/965227460.db2.gz MKOGLIWSYHQVJQ-LSDHHAIUSA-N 2 0 279.428 1.319 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001442810345 965227945 /nfs/dbraw/zinc/22/79/45/965227945.db2.gz XHIZDZSSGBNZMF-GJZGRUSLSA-N 2 0 281.444 1.851 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CCNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001443241363 965411412 /nfs/dbraw/zinc/41/14/12/965411412.db2.gz IJLLRYOJTFCWCO-GJZGRUSLSA-N 2 0 281.444 1.565 10 0 CDAERP CCCC[N@@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001443736143 965587557 /nfs/dbraw/zinc/58/75/57/965587557.db2.gz PEIWAIGZFHCGQW-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCC(C)C ZINC001443921838 965668454 /nfs/dbraw/zinc/66/84/54/965668454.db2.gz YMUWKPWPBXRCAM-RBSFLKMASA-N 2 0 283.460 1.857 10 0 CDAERP C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C[NH2+]CC1CC1 ZINC001444321527 965791805 /nfs/dbraw/zinc/79/18/05/965791805.db2.gz DLTGLBFNKRMHSQ-HIFRSBDPSA-N 2 0 281.444 1.613 10 0 CDAERP CC1(C(=O)N2c3ccccc3[C@H]([NH3+])C2(C)C)C[NH2+]C1 ZINC001348700463 966136552 /nfs/dbraw/zinc/13/65/52/966136552.db2.gz IKKQRKHRTQXHCG-LBPRGKRZSA-N 2 0 259.353 1.421 10 0 CDAERP CC[C@H](C(=O)N[C@]1(C)CC[N@H+](CCCO)C1)[NH+](CC)CC ZINC001446560044 966584832 /nfs/dbraw/zinc/58/48/32/966584832.db2.gz LMCGYVAHZXVNQJ-GDBMZVCRSA-N 2 0 299.459 1.070 10 0 CDAERP C[C@@H](F)CC[N@@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001447040896 966685745 /nfs/dbraw/zinc/68/57/45/966685745.db2.gz BHVUMFJJGNJRSP-QLFBSQMISA-N 2 0 299.434 1.609 10 0 CDAERP CC(C)[C@@H](C(=O)NC1CC(C[NH2+]CC2CCC2)C1)[NH+](C)C ZINC001447796232 966879126 /nfs/dbraw/zinc/87/91/26/966879126.db2.gz GCOPTIAPAWOKLJ-GPANFISMSA-N 2 0 295.471 1.857 10 0 CDAERP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@@H](C)[NH2+]CC1CCC1 ZINC001447908144 966925962 /nfs/dbraw/zinc/92/59/62/966925962.db2.gz SISFPVRSVTYGKS-CHWSQXEVSA-N 2 0 281.444 1.611 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](C)OC)CC1(C)C ZINC001448398078 967096822 /nfs/dbraw/zinc/09/68/22/967096822.db2.gz AHWPTCGNFFGGPF-UONOGXRCSA-N 2 0 299.459 1.190 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C)CC[NH+](C)C ZINC001543359673 967291626 /nfs/dbraw/zinc/29/16/26/967291626.db2.gz USKBDHNPTCTNTI-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)C[NH+]1CCC([C@H](C)NC(=O)CC[NH+](C)C)CC1 ZINC001449369033 967447182 /nfs/dbraw/zinc/44/71/82/967447182.db2.gz BSQTUKLMXNIHPE-AWEZNQCLSA-N 2 0 283.460 1.811 10 0 CDAERP Cc1cc(C[NH2+][C@H](C)CNC(=O)CC[NH+](C)C)cs1 ZINC001480530730 968116249 /nfs/dbraw/zinc/11/62/49/968116249.db2.gz NCSSOVFJHCLPQM-LLVKDONJSA-N 2 0 283.441 1.603 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001569557289 1169922018 /nfs/dbraw/zinc/92/20/18/1169922018.db2.gz TYIHEOXVZLPXGE-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@@H](CN1CCOCC1)C[N@@H+]1CC[C@@H](N2CCCCC2)C1 ZINC001459604909 969439463 /nfs/dbraw/zinc/43/94/63/969439463.db2.gz WLHHEUSXAOCTDO-DLBZAZTESA-N 2 0 295.471 1.515 10 0 CDAERP CC(C)[N@H+](C)C[C@@H](O)C[NH2+]C1([C@H]2CCCO2)CCC1 ZINC001460946636 969571053 /nfs/dbraw/zinc/57/10/53/969571053.db2.gz MBWDOMPKCUMWIR-UONOGXRCSA-N 2 0 270.417 1.379 10 0 CDAERP CC(C)[N@H+](C)C[C@@H](O)C[NH2+]C1([C@@H]2CCCO2)CCC1 ZINC001460946633 969571291 /nfs/dbraw/zinc/57/12/91/969571291.db2.gz MBWDOMPKCUMWIR-KBPBESRZSA-N 2 0 270.417 1.379 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)[C@@H](C)CC[NH+](C)C)CC1 ZINC001361840751 970592480 /nfs/dbraw/zinc/59/24/80/970592480.db2.gz BREYVAXZNBBICL-AWEZNQCLSA-N 2 0 283.460 1.907 10 0 CDAERP CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C[NH+]1CCCC1 ZINC001472330984 970620826 /nfs/dbraw/zinc/62/08/26/970620826.db2.gz MTSGEKMRAHTURN-JKSUJKDBSA-N 2 0 293.455 1.804 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)C[NH+]2CCCC2)C1 ZINC001361877706 970633968 /nfs/dbraw/zinc/63/39/68/970633968.db2.gz UWYLDZGIXIQSOV-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC001361940761 970697249 /nfs/dbraw/zinc/69/72/49/970697249.db2.gz NQZVWOHUWMEBKS-ZDUSSCGKSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+]CC=C(Cl)Cl ZINC001495735999 972615068 /nfs/dbraw/zinc/61/50/68/972615068.db2.gz YLNIOOCNSNYTAM-JTQLQIEISA-N 2 0 296.242 1.599 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]C(C)C ZINC001496098732 972792178 /nfs/dbraw/zinc/79/21/78/972792178.db2.gz NGKFXSUPCMAYFV-HUUCEWRRSA-N 2 0 283.460 1.952 10 0 CDAERP C[C@@H](C[NH2+]CCCF)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001496104583 972795166 /nfs/dbraw/zinc/79/51/66/972795166.db2.gz WLUZNSAIAISVEA-ZDUSSCGKSA-N 2 0 285.407 1.411 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2C/C=C/Cl ZINC001373078962 973251399 /nfs/dbraw/zinc/25/13/99/973251399.db2.gz KQUDZLMJAZCPOJ-XXIWEDNYSA-N 2 0 299.846 1.754 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH+](C)CCF)C2)CC[N@@H+]1C ZINC001373283614 973345714 /nfs/dbraw/zinc/34/57/14/973345714.db2.gz YAKIWFYFMQOFKH-MGPQQGTHSA-N 2 0 285.407 1.076 10 0 CDAERP C[N@H+](C/C=C/Cl)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001373308245 973358756 /nfs/dbraw/zinc/35/87/56/973358756.db2.gz BAWZWSMUGFMOLZ-PXHZSSHCSA-N 2 0 299.846 1.471 10 0 CDAERP CC[C@H](C(=O)N(CC)CC[NH2+]Cc1conc1C)[NH+](C)C ZINC001497487295 973367071 /nfs/dbraw/zinc/36/70/71/973367071.db2.gz XHFUWDKOCPMVAJ-CQSZACIVSA-N 2 0 296.415 1.261 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001373356823 973386124 /nfs/dbraw/zinc/38/61/24/973386124.db2.gz BEEZRKVAWYIBSI-RDBSUJKOSA-N 2 0 287.423 1.655 10 0 CDAERP CC(C)[NH2+]C/C=C\CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001497612760 973434034 /nfs/dbraw/zinc/43/40/34/973434034.db2.gz WVRQXTRUQPARGD-VQGNRHNMSA-N 2 0 279.428 1.674 10 0 CDAERP O=C(NC/C=C/C[NH2+]CC1CCC1)C12CC[NH+](CC1)C2 ZINC001497726893 973477894 /nfs/dbraw/zinc/47/78/94/973477894.db2.gz JZNFCZHLCSDSSG-OWOJBTEDSA-N 2 0 277.412 1.144 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001373601968 973511871 /nfs/dbraw/zinc/51/18/71/973511871.db2.gz VZRXYROJVOJLIK-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cnc(C)o2)C1)[NH+](C)C ZINC001418061883 973561923 /nfs/dbraw/zinc/56/19/23/973561923.db2.gz DOEQDNLCFOJTNZ-YRGRVCCFSA-N 2 0 294.399 1.060 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001497909745 973573258 /nfs/dbraw/zinc/57/32/58/973573258.db2.gz BYJQBLKLAVHMQS-QWHCGFSZSA-N 2 0 255.406 1.079 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC[C@@H](C)F)C1 ZINC001418112316 973592274 /nfs/dbraw/zinc/59/22/74/973592274.db2.gz FWQUPSIRIDRJJO-KBXIAJHMSA-N 2 0 299.434 1.846 10 0 CDAERP C[C@H](F)CC[N@@H+]1CCC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001418141916 973607714 /nfs/dbraw/zinc/60/77/14/973607714.db2.gz ZTPOHIOXYBLLJI-LSDHHAIUSA-N 2 0 299.434 1.659 10 0 CDAERP CCC(CC)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001373832046 973661450 /nfs/dbraw/zinc/66/14/50/973661450.db2.gz OQRBNVKXYQSHAI-GJZGRUSLSA-N 2 0 283.460 1.859 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1cnccc1C)[NH+](C)C ZINC001418234334 973684779 /nfs/dbraw/zinc/68/47/79/973684779.db2.gz IGUPVYANBGTAJK-DZGCQCFKSA-N 2 0 292.427 1.325 10 0 CDAERP C[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]CCF ZINC001418283171 973726647 /nfs/dbraw/zinc/72/66/47/973726647.db2.gz VTIOPNBLIRBNRZ-CHWSQXEVSA-N 2 0 273.396 1.315 10 0 CDAERP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCCO ZINC001498397050 973882853 /nfs/dbraw/zinc/88/28/53/973882853.db2.gz DWRNMFXIFHSBBM-GJZGRUSLSA-N 2 0 299.459 1.068 10 0 CDAERP CCC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001374545646 974010679 /nfs/dbraw/zinc/01/06/79/974010679.db2.gz QBCFFFSRFWZMPX-LSDHHAIUSA-N 2 0 281.444 1.804 10 0 CDAERP CC[C@@H](F)C[N@H+](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001375050995 974243338 /nfs/dbraw/zinc/24/33/38/974243338.db2.gz ACSWPFCLMARRRL-QWHCGFSZSA-N 2 0 287.423 1.655 10 0 CDAERP CC(C)[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001499422014 974252209 /nfs/dbraw/zinc/25/22/09/974252209.db2.gz SRWURBFOANTIQI-ZIAGYGMSSA-N 2 0 281.444 1.754 10 0 CDAERP C[N@H+](CC(=O)N1CCC[C@@H]1C[NH2+]CCF)C1CCC1 ZINC001499900399 974329071 /nfs/dbraw/zinc/32/90/71/974329071.db2.gz IYSBCGGFDUDLGH-CYBMUJFWSA-N 2 0 271.380 1.021 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+](CCC(C)(C)C)C1 ZINC001375843271 974493838 /nfs/dbraw/zinc/49/38/38/974493838.db2.gz NJFUWJCPCIIVPT-INIZCTEOSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@]2(C)CC[NH+](CCCF)C2)C1 ZINC001375845907 974494199 /nfs/dbraw/zinc/49/41/99/974494199.db2.gz RWWVFRZTUPUXEL-UKRRQHHQSA-N 2 0 285.407 1.268 10 0 CDAERP CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001376022040 974535834 /nfs/dbraw/zinc/53/58/34/974535834.db2.gz NFYCAAVERYFNQB-LSDHHAIUSA-N 2 0 281.444 1.851 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001376062813 974550423 /nfs/dbraw/zinc/55/04/23/974550423.db2.gz WZMOWZOQLHCOKT-KGLIPLIRSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)(C(=O)NC[C@H]([NH2+]CC1CC1)C1CC1)[NH+]1CCCC1 ZINC001376237378 974611755 /nfs/dbraw/zinc/61/17/55/974611755.db2.gz DNAGYKHNQWZUKD-HNNXBMFYSA-N 2 0 293.455 1.755 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]C/C=C/Cl)C2)CC[N@@H+]1C ZINC001376371781 974645470 /nfs/dbraw/zinc/64/54/70/974645470.db2.gz PODOPEVXXJKEBL-VBIUETCNSA-N 2 0 299.846 1.706 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001376477114 974671836 /nfs/dbraw/zinc/67/18/36/974671836.db2.gz UYXVRHNEQIBRQW-FVCCEPFGSA-N 2 0 271.380 1.066 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]C/C=C/Cl)C1)[NH+](C)C ZINC001376493185 974675151 /nfs/dbraw/zinc/67/51/51/974675151.db2.gz WEOYEURUQBNRIO-OBEQCATISA-N 2 0 287.835 1.562 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](F)CC)C[C@H]21)[NH+](C)C ZINC001376652631 974703961 /nfs/dbraw/zinc/70/39/61/974703961.db2.gz VQURYBRHGMWXAS-ODXJTPSBSA-N 2 0 285.407 1.121 10 0 CDAERP CO[C@H](C)C[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)CC1 ZINC001502147531 974707093 /nfs/dbraw/zinc/70/70/93/974707093.db2.gz KVYZGPXERWXKLT-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]CC1CCCC1 ZINC001376739333 974752037 /nfs/dbraw/zinc/75/20/37/974752037.db2.gz KKKLBAQPCYYQCY-CYBMUJFWSA-N 2 0 281.444 1.755 10 0 CDAERP CCCC[NH2+][C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001502750074 974774990 /nfs/dbraw/zinc/77/49/90/974774990.db2.gz AEXLEFQAMJOFCA-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP CCC[NH2+]CC1(O)CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001502894095 974799585 /nfs/dbraw/zinc/79/95/85/974799585.db2.gz FKJRLKQTYJGIEZ-UHFFFAOYSA-N 2 0 299.459 1.071 10 0 CDAERP CCOCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001503015421 974809691 /nfs/dbraw/zinc/80/96/91/974809691.db2.gz UDONMDMQGGVXME-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001377038317 974864330 /nfs/dbraw/zinc/86/43/30/974864330.db2.gz XYVHHBLPODPXMJ-CHWSQXEVSA-N 2 0 287.423 1.703 10 0 CDAERP CC[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1cnc(C)o1)[NH+](C)C ZINC001377051878 974867452 /nfs/dbraw/zinc/86/74/52/974867452.db2.gz QAEXKEUSCXJBOG-SMDDNHRTSA-N 2 0 296.415 1.308 10 0 CDAERP CCC[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001505633768 974944602 /nfs/dbraw/zinc/94/46/02/974944602.db2.gz SPVMMWNUNIYGRR-KGLIPLIRSA-N 2 0 299.459 1.238 10 0 CDAERP C[C@@H]([NH2+]CCF)[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001505694579 974966869 /nfs/dbraw/zinc/96/68/69/974966869.db2.gz PMLVZJCROTYJCB-NEPJUHHUSA-N 2 0 275.412 1.417 10 0 CDAERP CCC[N@H+](CCF)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001377488218 975050607 /nfs/dbraw/zinc/05/06/07/975050607.db2.gz XWJNQIVGUYLHCL-CQSZACIVSA-N 2 0 285.407 1.126 10 0 CDAERP CC(C)[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001505975910 975066355 /nfs/dbraw/zinc/06/63/55/975066355.db2.gz AXUFXXCYRKNXEL-ZDUSSCGKSA-N 2 0 269.433 1.706 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001377694996 975114643 /nfs/dbraw/zinc/11/46/43/975114643.db2.gz MZADZCXRXOBZRN-QLFBSQMISA-N 2 0 281.444 1.563 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C1C[NH+](CC2CC2)C1)[NH+](C)C ZINC001506631186 975193673 /nfs/dbraw/zinc/19/36/73/975193673.db2.gz INRNUMFXYDATLU-SMDDNHRTSA-N 2 0 267.417 1.173 10 0 CDAERP CC(C)CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001378040626 975216006 /nfs/dbraw/zinc/21/60/06/975216006.db2.gz IVURPDQEZNBFNM-HOCLYGCPSA-N 2 0 295.471 1.811 10 0 CDAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)N(C)C/C=C/Cl ZINC001378180479 975273401 /nfs/dbraw/zinc/27/34/01/975273401.db2.gz DTFCYRHGASRWFJ-UXONFWTHSA-N 2 0 285.819 1.271 10 0 CDAERP C[C@H](CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC1CCCC1 ZINC001507124795 975346048 /nfs/dbraw/zinc/34/60/48/975346048.db2.gz DOLFIDSQGGAYCZ-HUUCEWRRSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@](C)(C[NH2+]CC2CC2)C2CC2)C1 ZINC001378409715 975347219 /nfs/dbraw/zinc/34/72/19/975347219.db2.gz MGAFOAUCCHUVPV-CXAGYDPISA-N 2 0 293.455 1.613 10 0 CDAERP CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](F)C[NH+](CC)CC ZINC001378497715 975367075 /nfs/dbraw/zinc/36/70/75/975367075.db2.gz DMLSALLDAVZSDD-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP CO[C@@H](C)C[NH2+]C[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001378584627 975405898 /nfs/dbraw/zinc/40/58/98/975405898.db2.gz GDKNMRKTLQCXJR-KGLIPLIRSA-N 2 0 299.459 1.238 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1Cc1ccccn1 ZINC001388787996 975597775 /nfs/dbraw/zinc/59/77/75/975597775.db2.gz BQCBTPGKVGRUGH-HIFRSBDPSA-N 2 0 290.411 1.112 10 0 CDAERP CO[C@@H](C)C[N@H+](C)CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001401386265 975638664 /nfs/dbraw/zinc/63/86/64/975638664.db2.gz PYCKWWKYBMEJEB-AWEZNQCLSA-N 2 0 299.459 1.286 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCC1CC1 ZINC001405294886 975708687 /nfs/dbraw/zinc/70/86/87/975708687.db2.gz ZJJDAOPRFICBJN-CABCVRRESA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)[NH2+]CC[C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001405498082 975758318 /nfs/dbraw/zinc/75/83/18/975758318.db2.gz YSFOYLDAZTXZPS-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccccn1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001405788309 975863479 /nfs/dbraw/zinc/86/34/79/975863479.db2.gz BFYODLSELXTGDN-ZFWWWQNUSA-N 2 0 290.411 1.112 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C[N@H+](C)CC1CCCC1)[NH+](C)C ZINC001401793106 975921264 /nfs/dbraw/zinc/92/12/64/975921264.db2.gz BFMIMIDDWWDTDL-UKRRQHHQSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccccc1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001379583271 975937384 /nfs/dbraw/zinc/93/73/84/975937384.db2.gz VHUNVVISRWXYJC-GOEBONIOSA-N 2 0 289.423 1.623 10 0 CDAERP CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001405928950 975940076 /nfs/dbraw/zinc/94/00/76/975940076.db2.gz PXGZHDFUSBDZII-LSDHHAIUSA-N 2 0 281.444 1.469 10 0 CDAERP CC[C@@H](C(=O)NC[C@H]1CC[N@@H+]1CC1CC1)[NH+](CC)CC ZINC001401907244 975990973 /nfs/dbraw/zinc/99/09/73/975990973.db2.gz SGVQMNSGAJWINQ-CABCVRRESA-N 2 0 281.444 1.707 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]C/C=C\Cl)C1 ZINC001398505505 976012125 /nfs/dbraw/zinc/01/21/25/976012125.db2.gz OZOQPCDBQITDLG-KNUBNCPHSA-N 2 0 285.819 1.414 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001389905155 976039533 /nfs/dbraw/zinc/03/95/33/976039533.db2.gz WBXLJZSTWLSMOD-XUXIUFHCSA-N 2 0 285.407 1.313 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2)C1 ZINC001390009946 976083836 /nfs/dbraw/zinc/08/38/36/976083836.db2.gz QVYHEJMHDSMJPI-IYBDPMFKSA-N 2 0 289.423 1.765 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001398668040 976099421 /nfs/dbraw/zinc/09/94/21/976099421.db2.gz DOZIQNJREWHCGX-BYNSBNAKSA-N 2 0 283.460 1.856 10 0 CDAERP CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1CCC(C)(C)C)[NH+](C)C ZINC001380007806 976180320 /nfs/dbraw/zinc/18/03/20/976180320.db2.gz GXUMFSADHPBQLT-KBPBESRZSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)C[C@@H](C)C[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001406435393 976182133 /nfs/dbraw/zinc/18/21/33/976182133.db2.gz RPJXSAZJBZVFQL-HUUCEWRRSA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC1(C)CC[NH+](CC2CC2)CC1 ZINC001380312816 976344891 /nfs/dbraw/zinc/34/48/91/976344891.db2.gz AYRPHVFTYNRDJU-UHFFFAOYSA-N 2 0 281.444 1.707 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CCCC1 ZINC001380313624 976345164 /nfs/dbraw/zinc/34/51/64/976345164.db2.gz GZBBOSKHOGIYFP-CVEARBPZSA-N 2 0 293.455 1.613 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001390596091 976383292 /nfs/dbraw/zinc/38/32/92/976383292.db2.gz KATHEHHYSJJJSQ-LSDHHAIUSA-N 2 0 283.460 1.812 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@]1(C)CC[NH+](CCCF)C1 ZINC001380393360 976404451 /nfs/dbraw/zinc/40/44/51/976404451.db2.gz QCVPOKZCLNUHKO-AWEZNQCLSA-N 2 0 273.396 1.267 10 0 CDAERP CCC[N@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001402626972 976406707 /nfs/dbraw/zinc/40/67/07/976406707.db2.gz BCPUMUOAQDGBFS-LSDHHAIUSA-N 2 0 283.460 1.907 10 0 CDAERP CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]CCF ZINC001406800756 976412535 /nfs/dbraw/zinc/41/25/35/976412535.db2.gz FEXIOHCJMCAFMC-QWHCGFSZSA-N 2 0 273.396 1.124 10 0 CDAERP CCC[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001402755888 976466770 /nfs/dbraw/zinc/46/67/70/976466770.db2.gz RHXDFZKRQARRSS-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]CC3CC(C)(C)C3)CC2)C1 ZINC001407014056 976511398 /nfs/dbraw/zinc/51/13/98/976511398.db2.gz PBMSIDSFOLJRHD-AWEZNQCLSA-N 2 0 293.455 1.613 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001402927986 976595076 /nfs/dbraw/zinc/59/50/76/976595076.db2.gz LFCKLEATUKZASR-CHWSQXEVSA-N 2 0 285.407 1.457 10 0 CDAERP Cn1cncc1CCC(=O)NCC[N@H+](C)CCC(C)(C)C ZINC001399649644 976619907 /nfs/dbraw/zinc/61/99/07/976619907.db2.gz NIMQBIRJRCGGLP-UHFFFAOYSA-N 2 0 294.443 1.837 10 0 CDAERP CC[N@H+](CCNC(=O)CC[NH+](C)C)Cc1ccccc1 ZINC001390963748 976625262 /nfs/dbraw/zinc/62/52/62/976625262.db2.gz RDQHGUZHHHXHEX-UHFFFAOYSA-N 2 0 277.412 1.576 10 0 CDAERP CC[N@H+](CCCF)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001399725234 976659540 /nfs/dbraw/zinc/65/95/40/976659540.db2.gz YXILNTISGVZFJN-UHFFFAOYSA-N 2 0 299.434 1.660 10 0 CDAERP CC(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001391069137 976671790 /nfs/dbraw/zinc/67/17/90/976671790.db2.gz LDZDMMINISRQFN-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CCC(C)C ZINC001391133571 976711513 /nfs/dbraw/zinc/71/15/13/976711513.db2.gz UXUPIOBZJRIUPM-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC1CC1 ZINC001407682156 976732762 /nfs/dbraw/zinc/73/27/62/976732762.db2.gz ZMFVIHOUWOMOOO-HZPDHXFCSA-N 2 0 293.455 1.804 10 0 CDAERP O=C(NCC1([NH2+]CCF)CCC1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001407783964 976767361 /nfs/dbraw/zinc/76/73/61/976767361.db2.gz IKYVNOLLDRCFMB-UONOGXRCSA-N 2 0 297.418 1.601 10 0 CDAERP CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001569829235 1170008295 /nfs/dbraw/zinc/00/82/95/1170008295.db2.gz VQPXPDKCJJWADV-CHWSQXEVSA-N 2 0 255.406 1.173 10 0 CDAERP CC(C)[C@@H](C(=O)NCC1C[NH+](C(C)C)C1)[NH+]1CCCC1 ZINC001391525188 976932376 /nfs/dbraw/zinc/93/23/76/976932376.db2.gz OKTNRUMTWZXWQU-HNNXBMFYSA-N 2 0 281.444 1.563 10 0 CDAERP CC[C@H](C)C[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001400308210 976979667 /nfs/dbraw/zinc/97/96/67/976979667.db2.gz MRHCPKXZVUGWRH-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CO[C@H](C)C[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001403573422 977076747 /nfs/dbraw/zinc/07/67/47/977076747.db2.gz BEFJSKCNYZQQLR-ZIAGYGMSSA-N 2 0 299.459 1.332 10 0 CDAERP O=C(NC1(C[NH2+]CC2CC2)CCCC1)C12CC[NH+](CC1)C2 ZINC001391775326 977092364 /nfs/dbraw/zinc/09/23/64/977092364.db2.gz CKXBXOBIMCYLHC-UHFFFAOYSA-N 2 0 291.439 1.511 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]C[C@H]1CCCCO1 ZINC001403630142 977113170 /nfs/dbraw/zinc/11/31/70/977113170.db2.gz WIJVIQQEDBBYJV-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]CC1CC(C)(C)C1 ZINC001391966262 977166302 /nfs/dbraw/zinc/16/63/02/977166302.db2.gz VAYUZJPLQNVGFN-CQSZACIVSA-N 2 0 295.471 1.860 10 0 CDAERP CC[C@@H](C(=O)N(C)CC[N@H+](C)CCC(C)C)[NH+](C)C ZINC001392318004 977407720 /nfs/dbraw/zinc/40/77/20/977407720.db2.gz DZKAIZPJSABFJQ-AWEZNQCLSA-N 2 0 271.449 1.763 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001392813432 977604458 /nfs/dbraw/zinc/60/44/58/977604458.db2.gz REGVXBGZTXHQQL-ZFWWWQNUSA-N 2 0 281.444 1.613 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCCF ZINC001393465074 977796216 /nfs/dbraw/zinc/79/62/16/977796216.db2.gz ONOOTJHYWIKDGW-LSDHHAIUSA-N 2 0 299.434 1.753 10 0 CDAERP CC[NH2+][C@H](C)[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001393984361 977994780 /nfs/dbraw/zinc/99/47/80/977994780.db2.gz CVMWOAQDRTZIBU-OLZOCXBDSA-N 2 0 281.444 1.611 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)CC1CC1 ZINC001394068439 978049244 /nfs/dbraw/zinc/04/92/44/978049244.db2.gz SSVVDSZSCJYMQZ-DZGCQCFKSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CCC(C)(C)C ZINC001394103021 978067326 /nfs/dbraw/zinc/06/73/26/978067326.db2.gz NYIUACIUMZZVCZ-ZDUSSCGKSA-N 2 0 271.449 1.811 10 0 CDAERP CCC[N@@H+]1CCCC2(CN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001394348228 978138402 /nfs/dbraw/zinc/13/84/02/978138402.db2.gz DLWUJAGMOPXHCR-UHFFFAOYSA-N 2 0 281.444 1.661 10 0 CDAERP COCCC[N@H+](C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001676063991 1174177197 /nfs/dbraw/zinc/17/71/97/1174177197.db2.gz RFDZDJGRXCQVMO-UHFFFAOYSA-N 2 0 299.459 1.288 10 0 CDAERP C[N@H+](CC(=O)N1C[C@H]([NH2+]CCCF)C(C)(C)C1)C1CCC1 ZINC001677003650 1174307249 /nfs/dbraw/zinc/30/72/49/1174307249.db2.gz IEVOXQAMGFAKBQ-AWEZNQCLSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]CCF ZINC001571253505 1170356204 /nfs/dbraw/zinc/35/62/04/1170356204.db2.gz LOCDHPOQNRZHMD-KBPBESRZSA-N 2 0 287.423 1.703 10 0 CDAERP C/C=C\C[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)CC)C1 ZINC000626163555 342477221 /nfs/dbraw/zinc/47/72/21/342477221.db2.gz MGFGWVITZVDWLC-VASHYATMSA-N 2 0 254.418 1.977 10 0 CDAERP CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650745621 398173034 /nfs/dbraw/zinc/17/30/34/398173034.db2.gz KQAYXIMPFBOIBL-VXGBXAGGSA-N 2 0 274.430 1.061 10 0 CDAERP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000650758750 398181781 /nfs/dbraw/zinc/18/17/81/398181781.db2.gz XAQXUXXRLMMYTR-CJNGLKHVSA-N 3 0 261.413 1.978 10 0 CDAERP COC(=O)c1cc(CN2C[C@@H](C[NH3+])[C@H](C)C2)c(C)s1 ZINC000601326265 342553884 /nfs/dbraw/zinc/55/38/84/342553884.db2.gz LEFUJDDWUSQPHE-BXKDBHETSA-N 2 0 282.409 1.870 10 0 CDAERP Cc1ccc2[nH+]ccc(NC[C@H]3C[N@@H+](C)CCN3C)c2c1 ZINC000354583195 365563384 /nfs/dbraw/zinc/56/33/84/365563384.db2.gz XPVBQKQHWMEQSI-AWEZNQCLSA-N 2 0 284.407 1.623 10 0 CDAERP CC[NH2+]CC1CCN(C(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000237039427 342057807 /nfs/dbraw/zinc/05/78/07/342057807.db2.gz LWXMKSPWWLARGQ-UHFFFAOYSA-N 2 0 275.396 1.607 10 0 CDAERP CC(C)[NH2+]CCCNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000151789481 342102241 /nfs/dbraw/zinc/10/22/41/342102241.db2.gz QPRLXCMFVZPPIF-KGLIPLIRSA-N 2 0 269.433 1.788 10 0 CDAERP [NH3+]CCN1CCC[C@@H](c2ccc3ccnnc3c2)C1 ZINC000616621846 342119759 /nfs/dbraw/zinc/11/97/59/342119759.db2.gz ZUIBSAKDTRYDLN-CQSZACIVSA-N 2 0 256.353 1.768 10 0 CDAERP CS[C@@H]1CC[C@H]1[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000591836917 342648349 /nfs/dbraw/zinc/64/83/49/342648349.db2.gz RHMWHYIAHNEQTG-NWANDNLSSA-N 2 0 283.485 1.639 10 0 CDAERP CCOC(=O)CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592479415 342699314 /nfs/dbraw/zinc/69/93/14/342699314.db2.gz XKIIURJHZAJEOH-OLZOCXBDSA-N 2 0 254.374 1.404 10 0 CDAERP [NH3+]C[C@H]1CC[N@@H+]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000096949992 185138477 /nfs/dbraw/zinc/13/84/77/185138477.db2.gz YMLRKHOGWJRWFO-JKSUJKDBSA-N 2 0 259.397 1.542 10 0 CDAERP [NH3+]C[C@@H]1C[C@@H]2CN(Cc3ccccc3)CCC[N@@H+]2C1 ZINC000096949977 185138942 /nfs/dbraw/zinc/13/89/42/185138942.db2.gz NTEQNESRZPJODJ-JKSUJKDBSA-N 2 0 259.397 1.542 10 0 CDAERP O[C@@H]1CC[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC000096949577 185139264 /nfs/dbraw/zinc/13/92/64/185139264.db2.gz RBTYDFXEPABQFU-OAHLLOKOSA-N 2 0 260.381 1.623 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)CC(=O)Nc1ccc(F)cc1 ZINC000629391845 361906405 /nfs/dbraw/zinc/90/64/05/361906405.db2.gz FOEODUWSIVRBOM-GFCCVEGCSA-N 2 0 297.374 1.368 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)CCc1ccc(F)cc1 ZINC000629392645 361908986 /nfs/dbraw/zinc/90/89/86/361908986.db2.gz QYGYNAMVYPILLG-CYBMUJFWSA-N 2 0 268.376 1.972 10 0 CDAERP CCn1c(C[NH2+]CCOCCC[NH3+])nc2ccccc21 ZINC000629399304 361921532 /nfs/dbraw/zinc/92/15/32/361921532.db2.gz ONCGVTGGYPWXGD-UHFFFAOYSA-N 2 0 276.384 1.511 10 0 CDAERP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(F)c2cccnc12 ZINC000263138905 361923356 /nfs/dbraw/zinc/92/33/56/361923356.db2.gz CEVCQDHZXZCNAE-BXUZGUMPSA-N 2 0 275.327 1.044 10 0 CDAERP CC[C@@H](Cc1cccs1)[NH2+]CCOCC[NH2+]C ZINC000629405822 361943946 /nfs/dbraw/zinc/94/39/46/361943946.db2.gz UJVZQRQYKUUSOG-LBPRGKRZSA-N 2 0 256.415 1.895 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC1CCC([NH3+])CC1 ZINC000333399347 539051982 /nfs/dbraw/zinc/05/19/82/539051982.db2.gz PUVQKWJYCVTHRC-YMAMQOFZSA-N 2 0 296.459 1.676 10 0 CDAERP CCC[NH+]1CCC(NC[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000151243657 539073180 /nfs/dbraw/zinc/07/31/80/539073180.db2.gz OAUUSAVIEABASU-INIZCTEOSA-N 2 0 283.460 1.297 10 0 CDAERP COC(=O)[C@H](C[NH3+])C1CC[NH+](Cc2ccccc2)CC1 ZINC000212020957 539079331 /nfs/dbraw/zinc/07/93/31/539079331.db2.gz POAUGOICLTXOPH-OAHLLOKOSA-N 2 0 276.380 1.647 10 0 CDAERP C[N@@H+]1CCC[C@H]1CC[NH+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000626014686 342289585 /nfs/dbraw/zinc/28/95/85/342289585.db2.gz POIGVERJISHUSV-SOUVJXGZSA-N 2 0 252.402 1.565 10 0 CDAERP CC[NH+](CC)CCCN1CC[NH+](CCCF)CC1 ZINC000626070292 342298246 /nfs/dbraw/zinc/29/82/46/342298246.db2.gz HHUMAIGSMXFZRS-UHFFFAOYSA-N 2 0 259.413 1.696 10 0 CDAERP C[NH+](C)C[C@H](NC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC000173722546 365737664 /nfs/dbraw/zinc/73/76/64/365737664.db2.gz TZEYJSUGASBHQG-INIZCTEOSA-N 2 0 289.423 1.747 10 0 CDAERP COC[C@H]([NH2+]CC1([NH3+])CCOCC1)C1CCCC1 ZINC000629522819 362143108 /nfs/dbraw/zinc/14/31/08/362143108.db2.gz BYUOOCHLHISROB-ZDUSSCGKSA-N 2 0 256.390 1.289 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)c1ccc(F)cc1N(C)C ZINC000629528742 362154727 /nfs/dbraw/zinc/15/47/27/362154727.db2.gz IFAYNSQYRXCTCQ-GFCCVEGCSA-N 2 0 283.391 1.778 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000629529064 362155668 /nfs/dbraw/zinc/15/56/68/362155668.db2.gz QWCQGXROEPSVQH-LBPRGKRZSA-N 2 0 291.395 1.458 10 0 CDAERP C[C@]1(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)CCCS1 ZINC000628214385 362181427 /nfs/dbraw/zinc/18/14/27/362181427.db2.gz VIZBFTPBXRDJMX-DZGCQCFKSA-N 2 0 299.484 1.449 10 0 CDAERP C[C@H]1C[C@H](Nc2nc(N)[nH+]c3c2CCCC3)C[N@@H+]1C1CC1 ZINC000645187150 362234191 /nfs/dbraw/zinc/23/41/91/362234191.db2.gz FVEZXQQPLGJITL-QWRGUYRKSA-N 2 0 287.411 1.227 10 0 CDAERP COC[C@H](C)[N@H+](C)CC1(C[NH2+]CC(C)C)CCOCC1 ZINC000052182492 522593799 /nfs/dbraw/zinc/59/37/99/522593799.db2.gz MIKSMJGZYOTKHS-HNNXBMFYSA-N 2 0 286.460 1.996 10 0 CDAERP c1cc2c(cc1CN1CC[N@@H+]3CCC[C@H]3C1)C[NH2+]CC2 ZINC000250226222 344038271 /nfs/dbraw/zinc/03/82/71/344038271.db2.gz XCLFDIHAYBLTNB-KRWDZBQOSA-N 2 0 271.408 1.612 10 0 CDAERP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C1(C[NH3+])CCCC1 ZINC000251926774 344060787 /nfs/dbraw/zinc/06/07/87/344060787.db2.gz YKAISKHMIMOWRB-KBPBESRZSA-N 2 0 279.428 1.591 10 0 CDAERP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000263262313 362406147 /nfs/dbraw/zinc/40/61/47/362406147.db2.gz RDZOCGPPYZMIKC-GUTXKFCHSA-N 2 0 265.401 1.201 10 0 CDAERP NC(=[NH2+])N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000306741828 362440411 /nfs/dbraw/zinc/44/04/11/362440411.db2.gz FBXLWUFYMLVJHD-UONOGXRCSA-N 2 0 258.369 1.334 10 0 CDAERP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000263264906 362408388 /nfs/dbraw/zinc/40/83/88/362408388.db2.gz NIJRYKGZNGENMP-RRFJBIMHSA-N 2 0 281.444 1.885 10 0 CDAERP OCCN1CCCC[C@H]1C[NH2+]C[C@H](O)CC1CCCC1 ZINC000571445201 362523640 /nfs/dbraw/zinc/52/36/40/362523640.db2.gz IEZYBIWKBHCXGB-JKSUJKDBSA-N 2 0 284.444 1.364 10 0 CDAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000263286204 362568232 /nfs/dbraw/zinc/56/82/32/362568232.db2.gz VBDOALHQAYFCBQ-KLHDSHLOSA-N 2 0 260.381 1.493 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000079521442 362661216 /nfs/dbraw/zinc/66/12/16/362661216.db2.gz UGQWNFJDDFEKTC-TZMCWYRMSA-N 2 0 253.390 1.071 10 0 CDAERP CCN1CCC([N@H+](C)CCCC[C@](C)(O)C[NH3+])CC1 ZINC000085301118 179009852 /nfs/dbraw/zinc/00/98/52/179009852.db2.gz AJOZWGVBQRZUKD-HNNXBMFYSA-N 2 0 271.449 1.283 10 0 CDAERP CN(C)c1cc[nH+]cc1NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085360376 179032489 /nfs/dbraw/zinc/03/24/89/179032489.db2.gz GVMGTVVXALHPEP-QWRGUYRKSA-N 2 0 262.357 1.604 10 0 CDAERP CN(C)c1cc[nH+]cc1NC(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000085360381 179032601 /nfs/dbraw/zinc/03/26/01/179032601.db2.gz GVMGTVVXALHPEP-WDEREUQCSA-N 2 0 262.357 1.604 10 0 CDAERP OCC[N@@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000449392834 362687725 /nfs/dbraw/zinc/68/77/25/362687725.db2.gz LERTUSALEWYZOW-BZUAXINKSA-N 2 0 281.444 1.050 10 0 CDAERP CC(C)CC[NH+]1CCN(C(=O)[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000085369271 179039280 /nfs/dbraw/zinc/03/92/80/179039280.db2.gz KKFIIGGQDSAVOF-LSDHHAIUSA-N 2 0 281.444 1.694 10 0 CDAERP CN(C)C(=O)CC[N@@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403831 179053404 /nfs/dbraw/zinc/05/34/04/179053404.db2.gz CGBSPGKTFWKDRM-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP CCCc1nc2c(n1CC[N@H+](C)CCOC)CC[NH2+]C2 ZINC000085571117 179097169 /nfs/dbraw/zinc/09/71/69/179097169.db2.gz JIHQNSPWOCMZTG-UHFFFAOYSA-N 2 0 280.416 1.060 10 0 CDAERP COCCOCC[N@@H+]1C[C@@H](C2CC2)[NH2+]CC[C@@H]1C ZINC000085626704 179106614 /nfs/dbraw/zinc/10/66/14/179106614.db2.gz ZZYFTXIBMDJSAF-JSGCOSHPSA-N 2 0 256.390 1.112 10 0 CDAERP COCCOCC[N@@H+]1C[C@@H](C(C)(C)C)[NH2+]CC[C@@H]1C ZINC000085624527 179106685 /nfs/dbraw/zinc/10/66/85/179106685.db2.gz QYXZLDNVGAEXGJ-KBPBESRZSA-N 2 0 272.433 1.748 10 0 CDAERP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC000635944687 362766511 /nfs/dbraw/zinc/76/65/11/362766511.db2.gz LONQKGQJPNPVPM-CHWSQXEVSA-N 2 0 255.406 1.173 10 0 CDAERP CC1CC[NH+](CCSC[C@H]2CN(C)CCO2)CC1 ZINC000566214711 370648745 /nfs/dbraw/zinc/64/87/45/370648745.db2.gz MWKNDIGNOHTDAM-CQSZACIVSA-N 2 0 272.458 1.782 10 0 CDAERP [NH3+][C@]1(C(=O)Nc2ccccc2C[NH+]2CCCC2)CCOC1 ZINC000085873709 179193754 /nfs/dbraw/zinc/19/37/54/179193754.db2.gz GREKXPNQZLJYIR-MRXNPFEDSA-N 2 0 289.379 1.339 10 0 CDAERP C[NH+]1CCC(N2CC[NH2+][C@@H](C3CCCCC3)C2)CC1 ZINC000086127482 179236190 /nfs/dbraw/zinc/23/61/90/179236190.db2.gz PXXYETAZWPRYEG-MRXNPFEDSA-N 2 0 265.445 1.935 10 0 CDAERP CC(C)[C@H]1CN([C@@H]2CC[N@@H+](C3CC3)C2)[C@@H](C)C[NH2+]1 ZINC000086173852 179244186 /nfs/dbraw/zinc/24/41/86/179244186.db2.gz ATDIUMUBADHTMZ-NWANDNLSSA-N 2 0 251.418 1.541 10 0 CDAERP C[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1C1CC[NH+](C)CC1 ZINC000086217803 179249964 /nfs/dbraw/zinc/24/99/64/179249964.db2.gz OPLFHUNWFKOMDC-IUODEOHRSA-N 2 0 251.418 1.543 10 0 CDAERP CC[N@@H+]1CC[C@@H](CN2CC3(CCCC3)[NH2+]C[C@@H]2C)C1 ZINC000086223049 179250616 /nfs/dbraw/zinc/25/06/16/179250616.db2.gz QWRJDOCGIGQBAF-LSDHHAIUSA-N 2 0 265.445 1.935 10 0 CDAERP CC[C@H]1C[NH2+]C2(CCCC2)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223143 179252340 /nfs/dbraw/zinc/25/23/40/179252340.db2.gz YLHFBIOLKVNODF-CABCVRRESA-N 2 0 265.445 1.935 10 0 CDAERP C[C@@H]1C[NH2+][C@](C)(C2CC2)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086259601 179258220 /nfs/dbraw/zinc/25/82/20/179258220.db2.gz BDPKXMXATXACGV-WQVCFCJDSA-N 2 0 263.429 1.686 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCC([N@H+](C)CCCO)CC1 ZINC000414689164 365912677 /nfs/dbraw/zinc/91/26/77/365912677.db2.gz FIQZBBYJVAWIHK-AWEZNQCLSA-N 2 0 271.449 1.138 10 0 CDAERP C[C@@H]1C[C@@H](C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)CC[NH2+]1 ZINC000414690414 365919461 /nfs/dbraw/zinc/91/94/61/365919461.db2.gz HWVOXOMRUQUIOI-IXDOHACOSA-N 2 0 295.471 1.561 10 0 CDAERP CCN(CCC[NH+]1CCCC1)C(=O)NC/C=C\C[NH3+] ZINC000641866607 365951379 /nfs/dbraw/zinc/95/13/79/365951379.db2.gz FRYATUIVQVHABV-ARJAWSKDSA-N 2 0 268.405 1.019 10 0 CDAERP C[N@H+](CCCCNc1nc(N)[nH+]c2c1CCCC2)C1CC1 ZINC000645255276 362916510 /nfs/dbraw/zinc/91/65/10/362916510.db2.gz MIBKQANWWHOOBC-UHFFFAOYSA-N 2 0 289.427 1.476 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CCOC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000615264691 348414702 /nfs/dbraw/zinc/41/47/02/348414702.db2.gz MBXVMKWYZQAKAH-CABCVRRESA-N 2 0 297.443 1.040 10 0 CDAERP C[NH+](C)CC1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000615506561 348566964 /nfs/dbraw/zinc/56/69/64/348566964.db2.gz ZZYKUGVDKBSTTI-UHFFFAOYSA-N 2 0 281.444 1.519 10 0 CDAERP CCC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)CC1CC1 ZINC000064507916 348942895 /nfs/dbraw/zinc/94/28/95/348942895.db2.gz AAYRSFRIJZBRMZ-UHFFFAOYSA-N 2 0 293.455 1.851 10 0 CDAERP CCC[NH2+][C@@H](C)C1CC[NH+]([C@H](C)C(=O)NC)CC1 ZINC000104426430 185998610 /nfs/dbraw/zinc/99/86/10/185998610.db2.gz AYGRWFBHHWDSST-NWDGAFQWSA-N 2 0 255.406 1.221 10 0 CDAERP C[NH+](C)CCC[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CCO1 ZINC000620967361 350388966 /nfs/dbraw/zinc/38/89/66/350388966.db2.gz RPHHXGPHLNVMHE-HUUCEWRRSA-N 2 0 297.443 1.040 10 0 CDAERP COc1cc2c(cc1F)CC[C@@H]2[NH2+]CCOCCC[NH3+] ZINC000629540684 362963537 /nfs/dbraw/zinc/96/35/37/362963537.db2.gz WQFGSSYEXYDFMH-AWEZNQCLSA-N 2 0 282.359 1.777 10 0 CDAERP [NH3+]CC1CCC([NH2+][C@H]2CCN(C3CCC3)C2=O)CC1 ZINC000629556562 362994366 /nfs/dbraw/zinc/99/43/66/362994366.db2.gz SJVGDMLNVCERNQ-YIZWMMSDSA-N 2 0 265.401 1.247 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000333454999 362994451 /nfs/dbraw/zinc/99/44/51/362994451.db2.gz YBGZOCQRENOJCL-RRFJBIMHSA-N 2 0 296.459 1.404 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC[C@H](O)C[NH+]1CCCC1 ZINC000629558987 363001987 /nfs/dbraw/zinc/00/19/87/363001987.db2.gz BSFVCCIERCLBDS-OAGGEKHMSA-N 2 0 283.460 1.296 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1ccc(OC)cc1 ZINC000629571158 363017368 /nfs/dbraw/zinc/01/73/68/363017368.db2.gz RFXPFFRSWVMTNC-UHFFFAOYSA-N 2 0 252.358 1.363 10 0 CDAERP O[C@H](C[NH2+]CCCc1ccccn1)C[NH+]1CCCC1 ZINC000629571119 363017587 /nfs/dbraw/zinc/01/75/87/363017587.db2.gz PVKSHMOJWWDUEW-OAHLLOKOSA-N 2 0 263.385 1.061 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)C[C@@H](OC)C1CCCCC1 ZINC000629571998 363028056 /nfs/dbraw/zinc/02/80/56/363028056.db2.gz LQEXTYIVMMDEAF-OAHLLOKOSA-N 2 0 272.433 1.750 10 0 CDAERP CO[C@@H](C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1)C1CCC1 ZINC000629591189 363067941 /nfs/dbraw/zinc/06/79/41/363067941.db2.gz CICCDWHORQPGML-SJORKVTESA-N 2 0 296.455 1.892 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000624321742 351547434 /nfs/dbraw/zinc/54/74/34/351547434.db2.gz ANIPXLWAOQDJMM-QWHCGFSZSA-N 2 0 282.432 1.253 10 0 CDAERP COCCCCC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000629590719 363082027 /nfs/dbraw/zinc/08/20/27/363082027.db2.gz JOQKNLXKSPUAOS-INIZCTEOSA-N 2 0 284.444 1.894 10 0 CDAERP C[N@H+](C[C@H](O)CNC[C@@H]1CC[NH+]1C1CCCC1)C1CC1 ZINC000629601112 363156960 /nfs/dbraw/zinc/15/69/60/363156960.db2.gz GJHFPFDVKHAQMU-JKSUJKDBSA-N 2 0 281.444 1.048 10 0 CDAERP C/C=C\C[C@@H]1CCC[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000629673914 363321378 /nfs/dbraw/zinc/32/13/78/363321378.db2.gz ORNOWRNCANPRNZ-JIYQYTEPSA-N 2 0 293.455 1.862 10 0 CDAERP CCc1cccc(F)c1C[NH2+]CCOCCC[NH3+] ZINC000629677927 363327318 /nfs/dbraw/zinc/32/73/18/363327318.db2.gz IYFFHIFSIGAJPN-UHFFFAOYSA-N 2 0 254.349 1.843 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)CC[NH2+]1 ZINC000417826243 291040537 /nfs/dbraw/zinc/04/05/37/291040537.db2.gz BVEIABPXXLVXHU-CWRNSKLLSA-N 2 0 287.407 1.548 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)CC[NH2+]1 ZINC000262372445 291042224 /nfs/dbraw/zinc/04/22/24/291042224.db2.gz KEBFZQCZRGCIJT-XHSDSOJGSA-N 2 0 293.455 1.709 10 0 CDAERP COC(=O)C1(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000600147287 355916867 /nfs/dbraw/zinc/91/68/67/355916867.db2.gz FYPOWBFUOQLKDQ-LLVKDONJSA-N 2 0 254.374 1.402 10 0 CDAERP COC[C@@H](O)C[NH2+][C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000229941667 356324509 /nfs/dbraw/zinc/32/45/09/356324509.db2.gz ZCHUYHRRODXDLS-IMJJTQAJSA-N 2 0 278.396 1.419 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H](C)CN1CCCCC1 ZINC000234811172 140232193 /nfs/dbraw/zinc/23/21/93/140232193.db2.gz PTKHCCCBGSMTCC-KGLIPLIRSA-N 2 0 257.422 1.204 10 0 CDAERP Cc1cnn(C[C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000072253952 356685294 /nfs/dbraw/zinc/68/52/94/356685294.db2.gz RVQWBHKUXRWTGA-CVEARBPZSA-N 2 0 294.443 1.262 10 0 CDAERP CCCN(CCC[NH+](C)C)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000418549727 283221202 /nfs/dbraw/zinc/22/12/02/283221202.db2.gz AASFNTNNXTZHOD-KGLIPLIRSA-N 2 0 284.448 1.358 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@@H]1Cc3ccccc3C[NH2+]1)C2 ZINC000634749643 358236637 /nfs/dbraw/zinc/23/66/37/358236637.db2.gz BAYAAOSNLRSZKA-RYQLBKOJSA-N 2 0 299.418 1.159 10 0 CDAERP CCOCC[N@@H+]1CCN(CC[NH+]2CCCCC2)C[C@@H]1C ZINC000132284615 358551069 /nfs/dbraw/zinc/55/10/69/358551069.db2.gz PDYNQROMTSYJTJ-INIZCTEOSA-N 2 0 283.460 1.515 10 0 CDAERP CC[NH+](CC)CCCNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000162345572 358839247 /nfs/dbraw/zinc/83/92/47/358839247.db2.gz LLSMRDIGWDLQKT-GJZGRUSLSA-N 2 0 298.475 1.746 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)c1ccccc1CC[NH3+] ZINC000070552872 358969238 /nfs/dbraw/zinc/96/92/38/358969238.db2.gz PWBCKXDTOZTWBY-ZDUSSCGKSA-N 2 0 277.412 1.648 10 0 CDAERP CC(C)[NH+](CCN[C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)C(C)C ZINC000261903330 359083840 /nfs/dbraw/zinc/08/38/40/359083840.db2.gz HXWPMKATNVNAHA-GVDBMIGSSA-N 2 0 297.487 1.852 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)[C@H]([NH3+])C2CCOCC2)CC1 ZINC000261905734 359085112 /nfs/dbraw/zinc/08/51/12/359085112.db2.gz XAAWMHPLSZXLRL-OAHLLOKOSA-N 2 0 297.443 1.121 10 0 CDAERP CCN1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)C1 ZINC000261929451 359093783 /nfs/dbraw/zinc/09/37/83/359093783.db2.gz LMPBPQARPNJYKW-CAOSSQGBSA-N 2 0 281.444 1.217 10 0 CDAERP Cc1nc(C)n(C[C@H]2CCC[N@H+](C[C@@]3(C)CC[NH2+]C3)C2)n1 ZINC000262027013 359124364 /nfs/dbraw/zinc/12/43/64/359124364.db2.gz NRRJZZNTMADCBX-HOTGVXAUSA-N 2 0 291.443 1.607 10 0 CDAERP C[N@H+](CCNC(=O)CC1CC[NH+](C)CC1)C1CCCC1 ZINC000347014637 359134197 /nfs/dbraw/zinc/13/41/97/359134197.db2.gz MJASZHCVRAODAN-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP [NH3+]CCCCCCC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000037812609 359226190 /nfs/dbraw/zinc/22/61/90/359226190.db2.gz MZIRBTHVIIDYQG-CYBMUJFWSA-N 2 0 253.390 1.202 10 0 CDAERP Cn1ccnc1CNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000365429660 359430725 /nfs/dbraw/zinc/43/07/25/359430725.db2.gz OOGCHLBUDAYQSF-UHFFFAOYSA-N 2 0 291.399 1.236 10 0 CDAERP CC(C)Cn1ccnc1CNC(=O)CC1CC[NH+](C)CC1 ZINC000347515500 359406292 /nfs/dbraw/zinc/40/62/92/359406292.db2.gz FKHWAXSJYSRQMN-UHFFFAOYSA-N 2 0 292.427 1.887 10 0 CDAERP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000237237920 359496790 /nfs/dbraw/zinc/49/67/90/359496790.db2.gz YAQGPOGHBLYFMA-AJNGGQMLSA-N 2 0 279.428 1.365 10 0 CDAERP CCn1c(C)nnc1CN1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422625643 359648461 /nfs/dbraw/zinc/64/84/61/359648461.db2.gz CEBBAPPPKHOQCP-LOWVWBTDSA-N 2 0 265.405 1.412 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CC(=O)Nc1ccc(Cl)cc1 ZINC000422914616 359670435 /nfs/dbraw/zinc/67/04/35/359670435.db2.gz VAMVEZPCQCRVHI-CYBMUJFWSA-N 2 0 299.802 1.622 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](O)CC2)[C@@H]2CCC[C@H]21 ZINC000560542276 359808860 /nfs/dbraw/zinc/80/88/60/359808860.db2.gz ARXRXRUDFRRYQV-YYFQZIEXSA-N 2 0 252.402 1.752 10 0 CDAERP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccccn1 ZINC000423500959 359825706 /nfs/dbraw/zinc/82/57/06/359825706.db2.gz CGXDRDHHRCNXDL-QQFBHYJXSA-N 2 0 288.439 1.949 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC[N@@H+]1C ZINC000237490398 359866576 /nfs/dbraw/zinc/86/65/76/359866576.db2.gz NYDDDLYXVSKFDN-LEOABGAYSA-N 2 0 293.455 1.848 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000336819650 359871335 /nfs/dbraw/zinc/87/13/35/359871335.db2.gz ABIBCKOLIQKBGU-HOTGVXAUSA-N 2 0 281.444 1.125 10 0 CDAERP C[C@H]1C[C@H](N(C)C(=O)CC2([NH3+])CCC2)CC[N@@H+]1C ZINC000237560345 359923810 /nfs/dbraw/zinc/92/38/10/359923810.db2.gz UMRJJWCVDVAISO-NWDGAFQWSA-N 2 0 253.390 1.199 10 0 CDAERP C[NH+](C)[C@H]1CCN(C(=O)C[C@H]([NH3+])c2ccccc2)C1 ZINC000062972282 360037686 /nfs/dbraw/zinc/03/76/86/360037686.db2.gz OTZRNEMUXIWUGG-KBPBESRZSA-N 2 0 261.369 1.239 10 0 CDAERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cn(C)nc2C)C1 ZINC000087408846 360139821 /nfs/dbraw/zinc/13/98/21/360139821.db2.gz MWVRMRSKKMGGFA-WCQYABFASA-N 2 0 250.390 1.721 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000085390540 360113200 /nfs/dbraw/zinc/11/32/00/360113200.db2.gz MYYHUTKHZGYSQY-ZNMIVQPWSA-N 2 0 298.475 1.698 10 0 CDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cccc(O)c2)CC1 ZINC000121140382 360117822 /nfs/dbraw/zinc/11/78/22/360117822.db2.gz TVUZVGDLJORSMC-CQSZACIVSA-N 2 0 292.423 1.917 10 0 CDAERP CC(C)[C@@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)[NH+](C)C ZINC000153834666 360256295 /nfs/dbraw/zinc/25/62/95/360256295.db2.gz RPHYXVRYCWKOSZ-INIZCTEOSA-N 2 0 295.471 1.907 10 0 CDAERP c1ccc2c(c1)CCC[C@@H]([NH2+]CCCN1CC[NH2+]CC1)C2 ZINC000643496227 360235173 /nfs/dbraw/zinc/23/51/73/360235173.db2.gz CGRXCNSKPKZYIZ-GOSISDBHSA-N 2 0 287.451 1.819 10 0 CDAERP Fc1ccc([C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)c2cnn[nH]2)cc1 ZINC000514930509 360403785 /nfs/dbraw/zinc/40/37/85/360403785.db2.gz MJMNZIPLQXYXOI-XHDPSFHLSA-N 2 0 289.358 1.622 10 0 CDAERP CCn1nc(C)c(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1C ZINC000634999188 360636842 /nfs/dbraw/zinc/63/68/42/360636842.db2.gz RASKUCDIFFDNEW-ZWNOBZJWSA-N 2 0 250.390 1.546 10 0 CDAERP CC(C)[NH2+]CCC(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000566610554 360706602 /nfs/dbraw/zinc/70/66/02/360706602.db2.gz KPHCYLLEERBOKF-ZIAGYGMSSA-N 2 0 267.417 1.365 10 0 CDAERP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[NH+]2CCC1CC2 ZINC000356997217 366683546 /nfs/dbraw/zinc/68/35/46/366683546.db2.gz LOFDNRSEAUAZSU-LBPRGKRZSA-N 2 0 267.417 1.460 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)Nc1ccccc1CC[NH+](C)C ZINC000415559308 296022498 /nfs/dbraw/zinc/02/24/98/296022498.db2.gz FEXQYRSVGLNURO-VXGBXAGGSA-N 2 0 278.400 1.648 10 0 CDAERP CN(C(=O)CCc1cncn1C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000339171409 361328555 /nfs/dbraw/zinc/32/85/55/361328555.db2.gz OKXWYOSFKLHDJG-AWEZNQCLSA-N 2 0 276.384 1.048 10 0 CDAERP C[N@@H+]1CCCC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC000636270592 363885111 /nfs/dbraw/zinc/88/51/11/363885111.db2.gz FUWGTFGTNZIFPR-YNEHKIRRSA-N 2 0 276.384 1.361 10 0 CDAERP C[NH+](C)Cc1ccc(C(=O)N2CCC[C@H]2C[NH+](C)C)cc1 ZINC000268232234 364011450 /nfs/dbraw/zinc/01/14/50/364011450.db2.gz YLQGURKNYAVCHT-INIZCTEOSA-N 2 0 289.423 1.914 10 0 CDAERP O=C([C@@H]1C[NH2+]Cc2ccccc21)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000335423133 296055934 /nfs/dbraw/zinc/05/59/34/296055934.db2.gz KVFXKRKGFQERGG-SJLPKXTDSA-N 2 0 299.418 1.476 10 0 CDAERP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCC12CC2 ZINC000566501532 370753075 /nfs/dbraw/zinc/75/30/75/370753075.db2.gz XXKZWQRFPVBIGG-UONOGXRCSA-N 2 0 251.418 1.545 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNc1ccncc1C(N)=O ZINC000302243112 364481203 /nfs/dbraw/zinc/48/12/03/364481203.db2.gz YWKAEYWDENVSKC-NSHDSACASA-N 2 0 262.357 1.467 10 0 CDAERP C[NH2+]C[C@@H](C)C(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000373040359 364565384 /nfs/dbraw/zinc/56/53/84/364565384.db2.gz RAURJIRAFYYNOE-ZIAGYGMSSA-N 2 0 267.417 1.319 10 0 CDAERP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)C(F)F ZINC000300555440 364714516 /nfs/dbraw/zinc/71/45/16/364714516.db2.gz OPPJZHDPSMNYMY-NNYUYHANSA-N 2 0 262.344 1.513 10 0 CDAERP COC[C@@H](C)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000187382936 364750458 /nfs/dbraw/zinc/75/04/58/364750458.db2.gz WPWYWJNVACPSEG-HNNXBMFYSA-N 2 0 284.444 1.846 10 0 CDAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CCC[C@@H](F)C1 ZINC000570389995 294228721 /nfs/dbraw/zinc/22/87/21/294228721.db2.gz IHYKLTYQXBKGNZ-ZIAGYGMSSA-N 2 0 287.423 1.467 10 0 CDAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)[C@H]1C[C@H]1C ZINC000414132230 241080055 /nfs/dbraw/zinc/08/00/55/241080055.db2.gz MHPABXUARBXNEV-TUVASFSCSA-N 2 0 253.434 1.647 10 0 CDAERP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)[C@@H]1C[C@H]1C ZINC000414055682 241046472 /nfs/dbraw/zinc/04/64/72/241046472.db2.gz CVQWFCZMWYKKEU-IJEWVQPXSA-N 2 0 288.439 1.968 10 0 CDAERP C[C@@H]([NH2+]Cc1ccc2c(c1)OCCO2)[C@@H]1CC[NH2+]C1 ZINC000400494886 366959944 /nfs/dbraw/zinc/95/99/44/366959944.db2.gz APSGKWXUHGKNTF-DGCLKSJQSA-N 2 0 262.353 1.545 10 0 CDAERP C[C@H]1C[C@H](C[NH+]2CCN(CC(F)F)CC2)CC[NH2+]1 ZINC000414685723 241321239 /nfs/dbraw/zinc/32/12/39/241321239.db2.gz DMIYWTYXLKGTJU-NWDGAFQWSA-N 2 0 261.360 1.257 10 0 CDAERP CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000414805797 241397706 /nfs/dbraw/zinc/39/77/06/241397706.db2.gz AWMKLYPDABJFIC-NWDGAFQWSA-N 2 0 284.425 1.619 10 0 CDAERP C[NH+](C)C1(CNC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CCC1 ZINC000627017116 367241021 /nfs/dbraw/zinc/24/10/21/367241021.db2.gz BMGLCXVEVGBQIX-GASCZTMLSA-N 2 0 294.443 1.112 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)C[NH2+]1 ZINC000627022295 367245628 /nfs/dbraw/zinc/24/56/28/367245628.db2.gz COBSQSDSTYOQCN-MCIONIFRSA-N 2 0 296.459 1.547 10 0 CDAERP COCCN1CC[C@@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)C1 ZINC000357845748 367253077 /nfs/dbraw/zinc/25/30/77/367253077.db2.gz GQGSAZVHMDYQRP-OAHLLOKOSA-N 2 0 283.460 1.419 10 0 CDAERP C[C@H]1[N@H+](Cc2ccccc2)CC[C@@]12C[NH+]=C(N)N2C ZINC000307283092 367418799 /nfs/dbraw/zinc/41/87/99/367418799.db2.gz JGEOAIBJMWHFOQ-IUODEOHRSA-N 2 0 258.369 1.280 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)N[C@H]1CCCC[C@@H]1C[NH3+])C2 ZINC000627078741 367375777 /nfs/dbraw/zinc/37/57/77/367375777.db2.gz RKNZYPQWAJSZPD-CLWVCHIJSA-N 2 0 294.443 1.145 10 0 CDAERP CC[NH2+]CC1CCN(C(=O)N[C@@H]2CC[NH2+][C@H]2CC)CC1 ZINC000627159756 367587975 /nfs/dbraw/zinc/58/79/75/367587975.db2.gz TYOXPWRZVMMEFD-UONOGXRCSA-N 2 0 282.432 1.158 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N(C)CC[NH+]2CCCCC2)C[NH2+]1 ZINC000627209198 367707485 /nfs/dbraw/zinc/70/74/85/367707485.db2.gz DNZOUTBZQDRSFH-KGLIPLIRSA-N 2 0 282.432 1.254 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)C[NH2+]1 ZINC000627210384 367709165 /nfs/dbraw/zinc/70/91/65/367709165.db2.gz PYIYERDHROLKQI-UPJWGTAASA-N 2 0 282.432 1.299 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)C[NH2+]1 ZINC000627210383 367709978 /nfs/dbraw/zinc/70/99/78/367709978.db2.gz PYIYERDHROLKQI-JHJVBQTASA-N 2 0 282.432 1.299 10 0 CDAERP CC[NH+](CC)CC(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000367364661 368153831 /nfs/dbraw/zinc/15/38/31/368153831.db2.gz GVWLYFOPLLTFNH-UHFFFAOYSA-N 2 0 262.357 1.008 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000418345526 242964462 /nfs/dbraw/zinc/96/44/62/242964462.db2.gz BPQMYBIPLQEVMH-KWCYVHTRSA-N 2 0 282.432 1.191 10 0 CDAERP [NH3+][C@H]1CC=C(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000638103226 368365668 /nfs/dbraw/zinc/36/56/68/368365668.db2.gz LUYIZSSKJZIXBK-KBPBESRZSA-N 2 0 263.385 1.121 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000418503448 243150846 /nfs/dbraw/zinc/15/08/46/243150846.db2.gz XTPOPEJMIHGVAB-OAHLLOKOSA-N 2 0 296.459 1.487 10 0 CDAERP [NH3+][C@H]1CC=C(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000638117155 368476527 /nfs/dbraw/zinc/47/65/27/368476527.db2.gz JPNQEXNSYMXAGI-IRXDYDNUSA-N 2 0 299.418 1.815 10 0 CDAERP CC(C)CC[C@H]([NH3+])C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000638123644 368515408 /nfs/dbraw/zinc/51/54/08/368515408.db2.gz RQZLGBQCBQIXTM-DKUMPPAJSA-N 2 0 281.444 1.881 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C)[NH+](C3CC3)C2)CC[N@@H+]1C ZINC000631710067 368560862 /nfs/dbraw/zinc/56/08/62/368560862.db2.gz OLAPQIWDAAINON-NZBPQXDJSA-N 2 0 279.428 1.458 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000418693619 243347267 /nfs/dbraw/zinc/34/72/67/243347267.db2.gz HAKFPWYGVZEQHE-VXGBXAGGSA-N 2 0 298.456 1.557 10 0 CDAERP CCOC1CC(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000367849373 369267728 /nfs/dbraw/zinc/26/77/28/369267728.db2.gz XRWAZDOKRKFIRF-NRXISQOPSA-N 2 0 252.402 1.829 10 0 CDAERP [NH3+]Cc1ccc(OCc2cn(C[C@@H]3CCC[NH2+]3)nn2)cc1 ZINC000630605772 369387046 /nfs/dbraw/zinc/38/70/46/369387046.db2.gz PFEAGCATGYHTDG-ZDUSSCGKSA-N 2 0 287.367 1.068 10 0 CDAERP [NH3+][C@@H](c1cn(C[C@@H]2CCC[NH2+]2)nn1)c1ccccc1 ZINC000630604807 369372195 /nfs/dbraw/zinc/37/21/95/369372195.db2.gz DBQUUUMCOKYWGM-GXTWGEPZSA-N 2 0 257.341 1.078 10 0 CDAERP [NH3+]CCCC[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000414905190 369660792 /nfs/dbraw/zinc/66/07/92/369660792.db2.gz NQNMNOHCXOMWTG-UHFFFAOYSA-N 2 0 250.371 1.762 10 0 CDAERP [NH3+]C1(CNC(=O)N[C@H]2CCC[NH2+]C2)CCCCCC1 ZINC000418285016 370481422 /nfs/dbraw/zinc/48/14/22/370481422.db2.gz NWEISMAIFYDWON-LBPRGKRZSA-N 2 0 268.405 1.089 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCc1cnc(C2CC2)nc1 ZINC000566090938 370605397 /nfs/dbraw/zinc/60/53/97/370605397.db2.gz JOHGAJFXFGGYAS-KBPBESRZSA-N 2 0 260.385 1.614 10 0 CDAERP C[C@H](C[NH2+][C@H](C1CC1)[C@H]1CNCCO1)C[NH+]1CCCC1 ZINC000422724268 245179103 /nfs/dbraw/zinc/17/91/03/245179103.db2.gz VDNFBHUSBMVNDT-FVQBIDKESA-N 2 0 281.444 1.075 10 0 CDAERP C[NH+]1CC[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)[C@@H]2CCC[C@@H]21 ZINC000375848062 371001488 /nfs/dbraw/zinc/00/14/88/371001488.db2.gz CJOXXUPKQBDVAY-XHSDSOJGSA-N 3 0 263.429 1.711 10 0 CDAERP CC(C)OC[C@H](O)C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000567679439 371095343 /nfs/dbraw/zinc/09/53/43/371095343.db2.gz XAALETFZFYVTEM-CQSZACIVSA-N 2 0 272.433 1.625 10 0 CDAERP CSCC[C@@H]([NH3+])C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000567826869 371162356 /nfs/dbraw/zinc/16/23/56/371162356.db2.gz UEWAGVGGMGOKLO-WXRRBKDZSA-N 2 0 285.457 1.200 10 0 CDAERP c1ncn(-c2ccc(C[NH2+]CCC[C@@H]3CCC[NH2+]3)cc2)n1 ZINC000414974947 371186299 /nfs/dbraw/zinc/18/62/99/371186299.db2.gz NZOZHLCKCSYYAZ-OAHLLOKOSA-N 2 0 285.395 1.889 10 0 CDAERP CC[C@H]([NH3+])CNCc1cn(-c2cc[nH+]cc2)nc1C ZINC000414973183 371178757 /nfs/dbraw/zinc/17/87/57/371178757.db2.gz BWUPRLSRLQSTOH-ZDUSSCGKSA-N 2 0 259.357 1.403 10 0 CDAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)[C@@H](C)O)cn2)CC1 ZINC000572834593 371315395 /nfs/dbraw/zinc/31/53/95/371315395.db2.gz RPHURLOQFRTZQX-ZIAGYGMSSA-N 2 0 292.427 1.082 10 0 CDAERP C[NH+]1CCC(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000377795420 371697812 /nfs/dbraw/zinc/69/78/12/371697812.db2.gz CTBVWRBBMFJRIQ-INIZCTEOSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)(C)[NH2+]CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000377939574 371755122 /nfs/dbraw/zinc/75/51/22/371755122.db2.gz NLUZBTOWQCPVMO-HNNXBMFYSA-N 2 0 287.423 1.703 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](CNC[C@@H](O)C(F)(F)F)C1 ZINC000577841438 372129095 /nfs/dbraw/zinc/12/90/95/372129095.db2.gz NONRVWLFEMAICT-WDEREUQCSA-N 2 0 268.323 1.620 10 0 CDAERP O=C(NCCC[NH+]1CCCCC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171899063 372208630 /nfs/dbraw/zinc/20/86/30/372208630.db2.gz BPUFFKXTMFHLFP-HNNXBMFYSA-N 2 0 294.443 1.352 10 0 CDAERP C[C@@H]([NH2+][C@@H](CO)Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000582474282 372319086 /nfs/dbraw/zinc/31/90/86/372319086.db2.gz JCFWNAVISIBIEK-VNQPRFMTSA-N 2 0 262.397 1.568 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@](C)(O)C1CCCCC1 ZINC000423077183 245545761 /nfs/dbraw/zinc/54/57/61/245545761.db2.gz LMCPDGKFYNYGRO-GJZGRUSLSA-N 2 0 272.433 1.661 10 0 CDAERP Cc1nn(C)c(C)c1CC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000177743809 372892035 /nfs/dbraw/zinc/89/20/35/372892035.db2.gz KSWBJMRDCOEPEP-RISCZKNCSA-N 2 0 264.417 1.652 10 0 CDAERP C[C@@H]1CCC[N@H+](CCNC(=O)NC[C@@H]2CCC[NH+]2C)C1 ZINC000195128040 372937799 /nfs/dbraw/zinc/93/77/99/372937799.db2.gz DORNFEJKISGRDF-KGLIPLIRSA-N 2 0 282.432 1.112 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCC[NH2+]C1)[N@@H+]1CCC[C@H](C)C1 ZINC000195157448 372942612 /nfs/dbraw/zinc/94/26/12/372942612.db2.gz XNGGXGZWTJYNIT-MELADBBJSA-N 2 0 267.417 1.223 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)C1 ZINC000581835419 373260749 /nfs/dbraw/zinc/26/07/49/373260749.db2.gz ZEOLOIKHKVROOV-YNEHKIRRSA-N 2 0 294.420 1.417 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2C[NH+](C)C)CC[N@@H+]1C ZINC000630924033 373378409 /nfs/dbraw/zinc/37/84/09/373378409.db2.gz LTOLUJKQYYQWRS-SOUVJXGZSA-N 2 0 281.444 1.659 10 0 CDAERP Cc1c(C[NH2+]C(C)(C)CCC[NH+](C)C)cnn1C ZINC000387277658 373508985 /nfs/dbraw/zinc/50/89/85/373508985.db2.gz FMSFGZCONIALMN-UHFFFAOYSA-N 2 0 252.406 1.939 10 0 CDAERP CCC1([NH+]2CCCC2)CCN(CCOCC[NH3+])CC1 ZINC000631837207 373752275 /nfs/dbraw/zinc/75/22/75/373752275.db2.gz OXEUSOQMKDXWPR-UHFFFAOYSA-N 2 0 269.433 1.302 10 0 CDAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000333894857 205811589 /nfs/dbraw/zinc/81/15/89/205811589.db2.gz YWIAYESRHJOMQK-WFASDCNBSA-N 2 0 294.443 1.158 10 0 CDAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000418621385 374454820 /nfs/dbraw/zinc/45/48/20/374454820.db2.gz SMKAXBFJUAFCOS-KBXIAJHMSA-N 2 0 294.443 1.253 10 0 CDAERP CCN(CC)C(=O)C1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000262142853 284465518 /nfs/dbraw/zinc/46/55/18/284465518.db2.gz ZGMYCVJBFVOLGZ-INIZCTEOSA-N 2 0 281.444 1.566 10 0 CDAERP CCCCNc1cc(C)[nH+]c(N2CCC([NH+](C)C)CC2)n1 ZINC000631060020 374817946 /nfs/dbraw/zinc/81/79/46/374817946.db2.gz ZZHBYKGWPPSZNE-UHFFFAOYSA-N 2 0 291.443 1.949 10 0 CDAERP C[C@@H]1C[N@H+](C)C[C@H]1NCCC[NH+]1CCCC[C@H]1C ZINC000343083532 374894234 /nfs/dbraw/zinc/89/42/34/374894234.db2.gz MFUUUMDKWNNANQ-RBSFLKMASA-N 2 0 253.434 1.791 10 0 CDAERP C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000334325327 374906284 /nfs/dbraw/zinc/90/62/84/374906284.db2.gz AYFQFMBFPPRADK-IUCAKERBSA-N 2 0 265.332 1.393 10 0 CDAERP CC[NH+](CC)CCNC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415999162 375519596 /nfs/dbraw/zinc/51/95/96/375519596.db2.gz UPWDJIIWCOKCLT-UHFFFAOYSA-N 2 0 276.384 1.753 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@]2(C)CCCC[NH2+]2)CC1 ZINC000638974645 376313835 /nfs/dbraw/zinc/31/38/35/376313835.db2.gz BGRIPYXBSFVDBQ-HNNXBMFYSA-N 2 0 281.444 1.851 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000417390887 376316496 /nfs/dbraw/zinc/31/64/96/376316496.db2.gz KONYWUSZUGKDHU-ZFWWWQNUSA-N 2 0 296.459 1.548 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)C12CCC2 ZINC000245922504 376317481 /nfs/dbraw/zinc/31/74/81/376317481.db2.gz QZZHVFOSSRPCCD-OWCLPIDISA-N 2 0 296.455 1.771 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)C2CC[NH2+]CC2)CC1 ZINC000638975520 376327906 /nfs/dbraw/zinc/32/79/06/376327906.db2.gz JZUFGSAZAHXBCX-UHFFFAOYSA-N 2 0 267.417 1.319 10 0 CDAERP COCc1ncc2c(n1)CC[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC000631835185 376677601 /nfs/dbraw/zinc/67/76/01/376677601.db2.gz OHVANNMZSOCTQB-UHFFFAOYSA-N 2 0 290.411 1.371 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000417445232 377154025 /nfs/dbraw/zinc/15/40/25/377154025.db2.gz GEQFXHUJZYMAOW-BFHYXJOUSA-N 2 0 282.432 1.110 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000251734650 377238451 /nfs/dbraw/zinc/23/84/51/377238451.db2.gz CNSXYHBIBRSDHB-MROQNXINSA-N 2 0 253.390 1.103 10 0 CDAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCC[N@H+](C)C1CCCC1 ZINC000417505852 377696133 /nfs/dbraw/zinc/69/61/33/377696133.db2.gz LCGLJQXKYBFMQY-GXTWGEPZSA-N 2 0 282.432 1.158 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH+](C)C)CC2)CC[N@@H+]1C ZINC000632762018 377834858 /nfs/dbraw/zinc/83/48/58/377834858.db2.gz GEHURHUKTZOHNP-SOUVJXGZSA-N 2 0 281.444 1.659 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@H]2[NH+](C)CCCC2(C)C)CC[N@@H+]1C ZINC000632798169 377869168 /nfs/dbraw/zinc/86/91/68/377869168.db2.gz RJOIVLRYEZJSMS-RRFJBIMHSA-N 2 0 295.471 1.953 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000632855033 377933550 /nfs/dbraw/zinc/93/35/50/377933550.db2.gz NNCGSDGCLQTOQB-LSDHHAIUSA-N 2 0 273.380 1.359 10 0 CDAERP CC(C)[C@H]1CN(C(=O)N[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1C ZINC000633093809 378117575 /nfs/dbraw/zinc/11/75/75/378117575.db2.gz UFWNSMGAABOKFN-SOUVJXGZSA-N 2 0 296.459 1.451 10 0 CDAERP C[NH+](C)CCC[C@@H]1CN(CC[C@@H]2CCCC[N@@H+]2C)CCO1 ZINC000662324117 412894198 /nfs/dbraw/zinc/89/41/98/412894198.db2.gz VCGRDTOHVJFRBO-DLBZAZTESA-N 2 0 297.487 1.903 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]CC=C(C)C ZINC001662395166 1172542255 /nfs/dbraw/zinc/54/22/55/1172542255.db2.gz RYFKFLGZBICMHM-CYBMUJFWSA-N 2 0 255.406 1.389 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000657572768 412903854 /nfs/dbraw/zinc/90/38/54/412903854.db2.gz FPGWUIBXJWQGTP-ULQDDVLXSA-N 3 0 296.503 1.475 10 0 CDAERP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261751931 183613004 /nfs/dbraw/zinc/61/30/04/183613004.db2.gz JAELSRCRKDVUCA-QKPAOTATSA-N 2 0 293.455 1.742 10 0 CDAERP C[NH+](C)CCOCC[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000447594065 250392199 /nfs/dbraw/zinc/39/21/99/250392199.db2.gz WTGPPVXTJSYLQL-OWCLPIDISA-N 2 0 284.444 1.750 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@@H]2CCCC[NH2+]2)cc1 ZINC000634269950 379276883 /nfs/dbraw/zinc/27/68/83/379276883.db2.gz KGNAGNZPHRYVKV-WFASDCNBSA-N 2 0 290.411 1.648 10 0 CDAERP C[NH+](C)CC(C)(C)CNC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662347251 412913695 /nfs/dbraw/zinc/91/36/95/412913695.db2.gz ILLOAKVIMUGTID-HNNXBMFYSA-N 2 0 289.423 1.925 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000662350479 412915394 /nfs/dbraw/zinc/91/53/94/412915394.db2.gz CGISFCLFAAIQRB-KGLIPLIRSA-N 2 0 285.432 1.119 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC(CC[NH2+]C)CC1 ZINC000417006682 284797174 /nfs/dbraw/zinc/79/71/74/284797174.db2.gz JYHSZDZDCDDPNP-CQSZACIVSA-N 2 0 298.475 1.748 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000417004952 284797628 /nfs/dbraw/zinc/79/76/28/284797628.db2.gz IJARSHNPYGNFFC-OLZOCXBDSA-N 2 0 284.448 1.486 10 0 CDAERP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000662386356 412946708 /nfs/dbraw/zinc/94/67/08/412946708.db2.gz DWDZEOOFTWLCJZ-SOUVJXGZSA-N 2 0 281.444 1.470 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000662388559 412949799 /nfs/dbraw/zinc/94/97/99/412949799.db2.gz QMAWZCZLSPVJPW-GJZGRUSLSA-N 2 0 283.460 1.988 10 0 CDAERP C[NH+](C)CCCOc1nc2c(cc1C(N)=[NH2+])CCCC2 ZINC000043410539 184559512 /nfs/dbraw/zinc/55/95/12/184559512.db2.gz VJNDZWMZJYGBBJ-UHFFFAOYSA-N 2 0 276.384 1.575 10 0 CDAERP CCOCC[N@H+](CC)CC[C@@](C)(CO)[NH2+]C(C)C ZINC000085211514 184605094 /nfs/dbraw/zinc/60/50/94/184605094.db2.gz LHEDGUPEYXZQSQ-AWEZNQCLSA-N 2 0 260.422 1.484 10 0 CDAERP COC1CC[NH+](CCC[C@@](C)(CO)[NH2+]C2CC2)CC1 ZINC000085240014 184608513 /nfs/dbraw/zinc/60/85/13/184608513.db2.gz PSQMRLINQLAMAV-HNNXBMFYSA-N 2 0 270.417 1.380 10 0 CDAERP C[C@H](NC(=O)C1([NH2+]C2CC2)CCC1)[C@H]1CCC[NH2+]C1 ZINC000662403411 412966500 /nfs/dbraw/zinc/96/65/00/412966500.db2.gz LWIAJQUFYJDPEL-RYUDHWBXSA-N 2 0 265.401 1.165 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cncnc1 ZINC000289429193 197342820 /nfs/dbraw/zinc/34/28/20/197342820.db2.gz KKCLLDKUXSUKFC-INIZCTEOSA-N 2 0 291.443 1.325 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC000121908463 285234654 /nfs/dbraw/zinc/23/46/54/285234654.db2.gz YZTDRVNWQVTXEJ-OAHLLOKOSA-N 2 0 281.444 1.661 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C(=O)N2CCC[N@@H+](C3CCCC3)CC2)C1 ZINC000262646431 390160543 /nfs/dbraw/zinc/16/05/43/390160543.db2.gz OIWSIYBKOLQDPL-UONOGXRCSA-N 2 0 279.428 1.591 10 0 CDAERP CC(C)[C@H](C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21)[NH+]1CCCCC1 ZINC000646925967 390294837 /nfs/dbraw/zinc/29/48/37/390294837.db2.gz XPYWZRCPUWGICZ-HRCADAONSA-N 2 0 293.455 1.659 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000646914238 390298083 /nfs/dbraw/zinc/29/80/83/390298083.db2.gz SPFBWNLDJURRAL-HUUCEWRRSA-N 2 0 279.428 1.269 10 0 CDAERP C[C@H](CC(=O)N[C@H]1CC[NH2+]C[C@H]1C)C1CC[NH2+]CC1 ZINC000647001769 390350886 /nfs/dbraw/zinc/35/08/86/390350886.db2.gz XSRAAOUYFWDDBQ-BZPMIXESSA-N 2 0 267.417 1.126 10 0 CDAERP O=C(CC1CC[NH2+]CC1)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000648205442 390951639 /nfs/dbraw/zinc/95/16/39/390951639.db2.gz FHGPLSNBEFVFCE-CYBMUJFWSA-N 2 0 265.401 1.167 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1)[NH+](C)C ZINC000368024330 391012938 /nfs/dbraw/zinc/01/29/38/391012938.db2.gz YWUFGOXJZNQYFL-BFHYXJOUSA-N 2 0 267.417 1.317 10 0 CDAERP COC[C@H](C)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647542853 390984945 /nfs/dbraw/zinc/98/49/45/390984945.db2.gz CTIYTCRVYRQXCQ-ILXRZTDVSA-N 2 0 254.418 1.981 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H](NCCC[NH2+]Cc2cccnc2)C1 ZINC000647546591 390989795 /nfs/dbraw/zinc/98/97/95/390989795.db2.gz QYKLFLLTSCTERY-DZGCQCFKSA-N 2 0 262.401 1.149 10 0 CDAERP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CC1(F)CC1 ZINC000527221678 391005233 /nfs/dbraw/zinc/00/52/33/391005233.db2.gz FNIIEZRAWIQGDD-FRRDWIJNSA-N 2 0 256.365 1.672 10 0 CDAERP C[C@H](C[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1)CN1CC[NH+](C)CC1 ZINC000527651539 391085836 /nfs/dbraw/zinc/08/58/36/391085836.db2.gz DNCKKMXOTWFQGS-JHNDHUHGSA-N 2 0 279.472 1.894 10 0 CDAERP COC[C@H](O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000128461889 285420219 /nfs/dbraw/zinc/42/02/19/285420219.db2.gz CFYXNMNGWGMGIC-MRXNPFEDSA-N 2 0 284.444 1.582 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@@H]2CCC[NH2+]C2)cc1 ZINC000418318160 391305520 /nfs/dbraw/zinc/30/55/20/391305520.db2.gz NNQRTOXLVVFECT-TZMCWYRMSA-N 2 0 290.411 1.505 10 0 CDAERP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@H](O)C1CCCCC1 ZINC000191016161 391445885 /nfs/dbraw/zinc/44/58/85/391445885.db2.gz PDVLUBXVZHWNIN-KRWDZBQOSA-N 2 0 297.487 1.497 10 0 CDAERP C[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1)[C@@H]([NH3+])c1ccccc1 ZINC000417839354 391503617 /nfs/dbraw/zinc/50/36/17/391503617.db2.gz NRVYAWUJINIILK-GKLJAUDBSA-N 2 0 289.423 1.766 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N(C)C1CC[NH2+]CC1 ZINC000417526294 391638648 /nfs/dbraw/zinc/63/86/48/391638648.db2.gz BUJPCZGVBWPMHG-ZIAGYGMSSA-N 2 0 296.459 1.643 10 0 CDAERP CCC(C)(C)NC(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424283226 391671456 /nfs/dbraw/zinc/67/14/56/391671456.db2.gz BBYGCBLTMOABPL-CYBMUJFWSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@H]([NH2+]C[C@H]1CCN(C)C(=O)C1)[C@@H]1CCCC[NH2+]1 ZINC000424383018 391673790 /nfs/dbraw/zinc/67/37/90/391673790.db2.gz SSONVSWZTPLOET-IHRRRGAJSA-N 2 0 267.417 1.365 10 0 CDAERP CCSCCNc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000525863588 391718968 /nfs/dbraw/zinc/71/89/68/391718968.db2.gz CTEYPBIPXQCXLB-UHFFFAOYSA-N 2 0 280.441 1.998 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@H](C)CCN1C(=O)c2ccccc2C1=O ZINC000415004797 391708923 /nfs/dbraw/zinc/70/89/23/391708923.db2.gz AFTTYEWFKONQGO-IJLUTSLNSA-N 2 0 289.379 1.387 10 0 CDAERP CCn1nccc1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415058182 391739249 /nfs/dbraw/zinc/73/92/49/391739249.db2.gz SXPHSOOADWMSDF-UHFFFAOYSA-N 2 0 291.443 1.209 10 0 CDAERP COc1cccc(C[NH2+]CCCC[NH+]2CCOCC2)n1 ZINC000190774943 130145549 /nfs/dbraw/zinc/14/55/49/130145549.db2.gz RGWIIJDWZKSQOA-UHFFFAOYSA-N 2 0 279.384 1.292 10 0 CDAERP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CN1CC(C)(C)C1 ZINC000515888393 391798937 /nfs/dbraw/zinc/79/89/37/391798937.db2.gz WUXLNOYTRGHUOX-ZNMIVQPWSA-N 2 0 295.471 1.811 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCCSCC2)CC1 ZINC000657835225 413051048 /nfs/dbraw/zinc/05/10/48/413051048.db2.gz DODFCCHUJUQBJI-HUUCEWRRSA-N 2 0 285.501 1.888 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)N(C)C)[C@@H](C)C1 ZINC000429803683 391882343 /nfs/dbraw/zinc/88/23/43/391882343.db2.gz DCUCPJNPEUPSSM-STQMWFEESA-N 2 0 255.406 1.127 10 0 CDAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@H](C)[NH+](C)C2CC2)C1 ZINC000247393702 391898796 /nfs/dbraw/zinc/89/87/96/391898796.db2.gz QOYZUPZUUBSLMM-VNHYZAJKSA-N 2 0 296.459 1.497 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000649319187 392013329 /nfs/dbraw/zinc/01/33/29/392013329.db2.gz NAUAVEBXIOSOPH-CQSZACIVSA-N 2 0 299.378 1.984 10 0 CDAERP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000649322770 392019798 /nfs/dbraw/zinc/01/97/98/392019798.db2.gz KZQCFDAPSRLABK-FPCVCCKLSA-N 2 0 291.439 1.508 10 0 CDAERP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)c1cnn(C)c1 ZINC000163220132 392038395 /nfs/dbraw/zinc/03/83/95/392038395.db2.gz LZNIIJZJONCDMR-GXTWGEPZSA-N 2 0 250.390 1.803 10 0 CDAERP O=C([C@@H]1C[NH2+]CCC1(F)F)N1CCC(c2c[nH]cn2)CC1 ZINC000649335956 392059051 /nfs/dbraw/zinc/05/90/51/392059051.db2.gz OUIOXJYFHHBWJE-NSHDSACASA-N 2 0 298.337 1.361 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)NCc2ccc(C[NH3+])cc2)C1 ZINC000646185829 392138950 /nfs/dbraw/zinc/13/89/50/392138950.db2.gz LDMWOYICZZBQMI-AWEZNQCLSA-N 2 0 276.384 1.039 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]C[C@@]2(CCO)CCOC2)[C@@H](C)C1 ZINC000345173720 392098518 /nfs/dbraw/zinc/09/85/18/392098518.db2.gz ZZLNCDUXBOYSDT-SOUVJXGZSA-N 2 0 270.417 1.095 10 0 CDAERP CC[NH+](CC)CC(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000649370377 392127467 /nfs/dbraw/zinc/12/74/67/392127467.db2.gz MXKCJUKAHSWYFZ-GFCCVEGCSA-N 2 0 253.390 1.119 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C[C@H]1CCC[NH2+]1 ZINC000251649760 392238745 /nfs/dbraw/zinc/23/87/45/392238745.db2.gz GIHQQIQUKFQWPL-MCIONIFRSA-N 2 0 265.401 1.214 10 0 CDAERP COC(=O)C1(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000448524293 392213427 /nfs/dbraw/zinc/21/34/27/392213427.db2.gz GNYRKNIGXNNWCG-ZDUSSCGKSA-N 2 0 266.385 1.357 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@](C)(O)C1CCCCC1 ZINC000423069962 392314490 /nfs/dbraw/zinc/31/44/90/392314490.db2.gz FMDWKFCHTDKRQI-TUUVXOQKSA-N 2 0 284.444 1.660 10 0 CDAERP COCC[N@@H+]1CCC[C@@H]1CN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000422712777 392251680 /nfs/dbraw/zinc/25/16/80/392251680.db2.gz ORMPNXUSPRSVFI-BRWVUGGUSA-N 2 0 297.487 1.998 10 0 CDAERP [NH3+][C@H]1C[C@@H]([NH2+]CCCN2CCCC2=O)c2ccccc21 ZINC000422758027 392256925 /nfs/dbraw/zinc/25/69/25/392256925.db2.gz DOTPYTBMUOGPAZ-LSDHHAIUSA-N 2 0 273.380 1.733 10 0 CDAERP CC(C)[NH+]1CCC(N[C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000422990826 392273767 /nfs/dbraw/zinc/27/37/67/392273767.db2.gz OFZQJGHXJRTXNF-CVEARBPZSA-N 2 0 281.444 1.216 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1cnn2ccccc12 ZINC000423109757 392351997 /nfs/dbraw/zinc/35/19/97/392351997.db2.gz TUKVAWFHGHGVIM-CYBMUJFWSA-N 2 0 262.357 1.178 10 0 CDAERP C[C@@H]([NH2+]CC1(CF)CCOCC1)[C@H]1CCCC[NH2+]1 ZINC000423158124 392397140 /nfs/dbraw/zinc/39/71/40/392397140.db2.gz WIOLIVNYJMBBQY-CHWSQXEVSA-N 2 0 258.381 1.873 10 0 CDAERP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cnccc1N ZINC000423173677 392413248 /nfs/dbraw/zinc/41/32/48/392413248.db2.gz ZQVFBEQYTNQWSK-CHWSQXEVSA-N 2 0 262.401 1.877 10 0 CDAERP C([NH2+][C@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)[C@@H]1C[C@H]1C1CC1 ZINC000423167039 392407106 /nfs/dbraw/zinc/40/71/06/392407106.db2.gz RUMSPGSGMSQBEE-QXKUPLGCSA-N 2 0 264.413 1.779 10 0 CDAERP O=C(C[C@@H]1CC[NH2+]C1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000645889358 392472379 /nfs/dbraw/zinc/47/23/79/392472379.db2.gz FMBKIKCEKUIUPJ-NSHDSACASA-N 2 0 271.324 1.205 10 0 CDAERP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000646481482 392485184 /nfs/dbraw/zinc/48/51/84/392485184.db2.gz NXSFGMCUXUUUEL-CRWXNKLISA-N 2 0 267.417 1.268 10 0 CDAERP C[C@H]1CCC[C@H]([NH+]2CCC(NCCC[NH3+])CC2)C1 ZINC000437787206 392490654 /nfs/dbraw/zinc/49/06/54/392490654.db2.gz KHVCXXPNMHOKDH-ZFWWWQNUSA-N 2 0 253.434 1.968 10 0 CDAERP C[C@H]([NH3+])c1ccc(C[NH2+][C@H](C2CC2)[C@H]2CNCCO2)cc1 ZINC000423293249 392492446 /nfs/dbraw/zinc/49/24/46/392492446.db2.gz QNTMMISGPUTQFX-JCURWCKSSA-N 2 0 289.423 1.563 10 0 CDAERP C[C@H](NCCC[N@@H+]1CCCC[C@@H]1C)[C@@H]1CC[NH2+]C1 ZINC000400354160 392516065 /nfs/dbraw/zinc/51/60/65/392516065.db2.gz LLIUVXDARTVWKG-SOUVJXGZSA-N 2 0 253.434 1.839 10 0 CDAERP CC[C@H]([NH3+])CN[C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000423459707 392577806 /nfs/dbraw/zinc/57/78/06/392577806.db2.gz IGXYYNJQNQABSU-CWRNSKLLSA-N 2 0 277.412 1.815 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000252880009 392815446 /nfs/dbraw/zinc/81/54/46/392815446.db2.gz YCOAWVSTYTYANQ-GJHMDTBVSA-N 2 0 253.390 1.101 10 0 CDAERP C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000517239202 392863359 /nfs/dbraw/zinc/86/33/59/392863359.db2.gz MOVRMGVDTCNAEF-TUVASFSCSA-N 2 0 279.428 1.365 10 0 CDAERP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C(C)(C)C(F)F ZINC000657845964 413055625 /nfs/dbraw/zinc/05/56/25/413055625.db2.gz MNOQITJPWFNVGO-MNOVXSKESA-N 2 0 264.360 1.713 10 0 CDAERP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)CC(F)(F)F)CCN1C ZINC000189504121 393078597 /nfs/dbraw/zinc/07/85/97/393078597.db2.gz ODGTUKYIWHEQRX-GMTAPVOTSA-N 2 0 268.323 1.714 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000232801684 393317917 /nfs/dbraw/zinc/31/79/17/393317917.db2.gz POXPZNUWUKPKIN-LSDHHAIUSA-N 2 0 293.455 1.851 10 0 CDAERP CC[NH+](CC)[C@@H](CNC(=O)COC1(C)C[NH2+]C1)CC(C)C ZINC000649285387 393320505 /nfs/dbraw/zinc/32/05/05/393320505.db2.gz VHYVEJIBWLTJDE-CQSZACIVSA-N 2 0 299.459 1.238 10 0 CDAERP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2COC3(CCC3)C2)CC1 ZINC000657873899 413066222 /nfs/dbraw/zinc/06/62/22/413066222.db2.gz ZXKKQJQKXKIYTP-MRXNPFEDSA-N 2 0 295.471 1.561 10 0 CDAERP [NH3+]C1(CNC(=O)[C@H]2CCCC[NH2+]2)CCCCCC1 ZINC000237833072 140259110 /nfs/dbraw/zinc/25/91/10/140259110.db2.gz CEPIWTGZXDCVNY-GFCCVEGCSA-N 2 0 253.390 1.296 10 0 CDAERP C[C@H](CC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)C1CC[NH2+]CC1 ZINC000248621253 140293233 /nfs/dbraw/zinc/29/32/33/140293233.db2.gz MYSPIJLXJFFECM-FAAHXZRKSA-N 2 0 279.428 1.208 10 0 CDAERP C[N@@H+](CC(=O)N1CC[NH2+]CC1)C[C@@H]1CCCC(F)(F)C1 ZINC000261562483 140348660 /nfs/dbraw/zinc/34/86/60/140348660.db2.gz YKDQROYKVAVTQZ-GFCCVEGCSA-N 2 0 289.370 1.176 10 0 CDAERP [NH3+][C@@H](C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccccc1 ZINC000261742160 140383904 /nfs/dbraw/zinc/38/39/04/140383904.db2.gz INPDMNXNMYKMJV-QLFBSQMISA-N 2 0 273.380 1.144 10 0 CDAERP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)CCC1CC[NH2+]CC1 ZINC000263041376 140442914 /nfs/dbraw/zinc/44/29/14/140442914.db2.gz SWGCXNAFDMENCF-KWOWKCNFSA-N 2 0 293.455 1.788 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000662525091 413097240 /nfs/dbraw/zinc/09/72/40/413097240.db2.gz RNASYHPWUUTALX-HNNXBMFYSA-N 2 0 297.443 1.216 10 0 CDAERP CC[N@H+](CC(=O)NCC[NH+](C)C1CCCCC1)C1CC1 ZINC000151761835 289103541 /nfs/dbraw/zinc/10/35/41/289103541.db2.gz VCWZEXNDOMILJH-UHFFFAOYSA-N 2 0 281.444 1.851 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)N(CCC[NH3+])CC1CCCC1 ZINC000662561849 413129707 /nfs/dbraw/zinc/12/97/07/413129707.db2.gz GAMKBEMDYXZIMQ-AWEZNQCLSA-N 2 0 285.432 1.106 10 0 CDAERP Cc1ccncc1N1CCN(CCO[C@@H]2CC2(F)F)CC1 ZINC000660466524 413145837 /nfs/dbraw/zinc/14/58/37/413145837.db2.gz UHLZCMHYCGQQHV-CQSZACIVSA-N 2 0 297.349 1.936 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000662592222 413160675 /nfs/dbraw/zinc/16/06/75/413160675.db2.gz IFDWPYMZBSWWNR-AGIUHOORSA-N 2 0 267.417 1.350 10 0 CDAERP CO[C@@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)[C@H]1CCOC1 ZINC000658070891 413171401 /nfs/dbraw/zinc/17/14/01/413171401.db2.gz AMCDWHOUVSIFMF-HOCLYGCPSA-N 2 0 282.428 1.502 10 0 CDAERP CC(C)N1C(=O)C[N@H+](CC[C@@H]2CCC[NH2+]C2)CC1(C)C ZINC000420309438 397698113 /nfs/dbraw/zinc/69/81/13/397698113.db2.gz TXORXZONSJTLBX-AWEZNQCLSA-N 2 0 281.444 1.707 10 0 CDAERP O=C(Cc1cn2c(n1)CCCC2)NCC[NH+]1CCCCC1 ZINC000651107739 397828094 /nfs/dbraw/zinc/82/80/94/397828094.db2.gz PLAOKKOEACSCIC-UHFFFAOYSA-N 2 0 290.411 1.364 10 0 CDAERP C[NH+](C)CC1CC[NH+](C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC000386752184 398080403 /nfs/dbraw/zinc/08/04/03/398080403.db2.gz FNCGIVAZDBUFKF-HUUCEWRRSA-N 2 0 254.418 1.811 10 0 CDAERP C[NH+](C)CC1CCN(C(=O)C2CCC([NH3+])CC2)CC1 ZINC000037826134 398111836 /nfs/dbraw/zinc/11/18/36/398111836.db2.gz PQMQIFNHXBNSAH-UHFFFAOYSA-N 2 0 267.417 1.304 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654374391 413194703 /nfs/dbraw/zinc/19/47/03/413194703.db2.gz YZNWLAOIAHZZEW-MCIONIFRSA-N 2 0 284.448 1.356 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000263228950 297094246 /nfs/dbraw/zinc/09/42/46/297094246.db2.gz NCXYOPIZXAMINT-NYTXWWLZSA-N 2 0 279.428 1.589 10 0 CDAERP CC(C)CC[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000105845867 147231280 /nfs/dbraw/zinc/23/12/80/147231280.db2.gz BOUWSYDEBJRRKX-KRWDZBQOSA-N 2 0 297.487 1.759 10 0 CDAERP CC1(C)[C@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)[C@@H]2CCCO[C@@H]21 ZINC000181559314 148208550 /nfs/dbraw/zinc/20/85/50/148208550.db2.gz NABZQGWMPRKQPX-JONQDZQNSA-N 2 0 296.455 1.626 10 0 CDAERP [NH3+]CCOc1ccc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000262286956 149047365 /nfs/dbraw/zinc/04/73/65/149047365.db2.gz MRKGNMRXZWQOEM-WDEREUQCSA-N 2 0 263.341 1.090 10 0 CDAERP CC[N@@H+]1CC[C@@H](CNC2CC[NH+](C3CC3)CC2)C1 ZINC000311004421 149207922 /nfs/dbraw/zinc/20/79/22/149207922.db2.gz NTZWNSSZZDCJTD-ZDUSSCGKSA-N 3 0 251.418 1.545 10 0 CDAERP [NH3+]C[C@H](NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)C1CCCC1 ZINC000334962759 150124029 /nfs/dbraw/zinc/12/40/29/150124029.db2.gz UTRSOOKZAJTLQW-HOCLYGCPSA-N 2 0 294.443 1.289 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@](C)(O)C1 ZINC000346169898 153082299 /nfs/dbraw/zinc/08/22/99/153082299.db2.gz KYGMOTJYUHUHCE-HNNXBMFYSA-N 2 0 272.352 1.532 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCC[NH+]2CC=CCC2)CC[N@@H+]1C ZINC000350088078 154324089 /nfs/dbraw/zinc/32/40/89/154324089.db2.gz UUPKZPDEPKXURN-KBPBESRZSA-N 2 0 265.401 1.095 10 0 CDAERP CC[N@H+](CCNC(=O)N(C)[C@@H]1CC[NH+](C2CC2)C1)C1CC1 ZINC000350089018 154324438 /nfs/dbraw/zinc/32/44/38/154324438.db2.gz OTUHPFUEVSTMNJ-OAHLLOKOSA-N 2 0 294.443 1.349 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000262683516 289399472 /nfs/dbraw/zinc/39/94/72/289399472.db2.gz YZQLTNVEEKANSO-MELADBBJSA-N 2 0 267.417 1.304 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000662680807 413301867 /nfs/dbraw/zinc/30/18/67/413301867.db2.gz YVSMDDFXFIBQOM-GJZGRUSLSA-N 2 0 299.459 1.365 10 0 CDAERP CC[NH+]1CCC(CNC(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000662693017 413322279 /nfs/dbraw/zinc/32/22/79/413322279.db2.gz MYUYJVDBHFOHPT-UHFFFAOYSA-N 2 0 279.428 1.509 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cc(C)no2)[C@H](C)C1 ZINC000353948858 156175757 /nfs/dbraw/zinc/17/57/57/156175757.db2.gz XUCJRLIFHMQWFA-BXUZGUMPSA-N 2 0 251.374 1.845 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662693394 413328003 /nfs/dbraw/zinc/32/80/03/413328003.db2.gz VKUJQSXKDYIOHF-GFCCVEGCSA-N 2 0 267.417 1.508 10 0 CDAERP CCS(=O)(=O)C1(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000658299132 413344478 /nfs/dbraw/zinc/34/44/78/413344478.db2.gz MXIVGPSXFGDLLK-LBPRGKRZSA-N 2 0 288.457 1.274 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662711205 413365477 /nfs/dbraw/zinc/36/54/77/413365477.db2.gz LSFKQGSQTVTDRV-MJBXVCDLSA-N 2 0 281.444 1.754 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCC(C)(C)O ZINC000359149991 158141180 /nfs/dbraw/zinc/14/11/80/158141180.db2.gz XYVVKYGMYMIECC-UHFFFAOYSA-N 2 0 274.368 1.826 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)C1 ZINC000654515070 413384399 /nfs/dbraw/zinc/38/43/99/413384399.db2.gz ZHDLSZXNXRZVPC-MGPQQGTHSA-N 2 0 265.401 1.071 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)NCC[N@H+]2CCCC[C@H]2C)CC[NH+]1C ZINC000361857651 159001542 /nfs/dbraw/zinc/00/15/42/159001542.db2.gz BXPLHJDXPWURLE-RBSFLKMASA-N 2 0 296.459 1.643 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000654529148 413396143 /nfs/dbraw/zinc/39/61/43/413396143.db2.gz DTGFYQBLRXLSBA-MCIONIFRSA-N 2 0 265.401 1.071 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000662732688 413400952 /nfs/dbraw/zinc/40/09/52/413400952.db2.gz MRXXLZCQAXHWDV-JHJVBQTASA-N 2 0 253.390 1.007 10 0 CDAERP C[C@@H]1CN(C(=O)[C@@H](C[NH3+])c2ccc(F)cc2)C[C@@]1(C)C[NH3+] ZINC000417847025 296858455 /nfs/dbraw/zinc/85/84/55/296858455.db2.gz UNRYKKSAOYBYMO-DIOULYMOSA-N 2 0 293.386 1.311 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653114239 411818284 /nfs/dbraw/zinc/81/82/84/411818284.db2.gz AYIJTNVLXSJGQZ-KBPBESRZSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000662668292 411818696 /nfs/dbraw/zinc/81/86/96/411818696.db2.gz KCYWFMFFPQGYHN-ZFWWWQNUSA-N 2 0 297.443 1.262 10 0 CDAERP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)C(=O)NC(C)C ZINC000020304567 171140823 /nfs/dbraw/zinc/14/08/23/171140823.db2.gz OBXSROHJGQGJFS-ZIAGYGMSSA-N 2 0 271.449 2.000 10 0 CDAERP C[C@H]1C[NH+](CCC(=O)Nc2ccc(C[NH3+])cc2)C[C@H](C)O1 ZINC000022155462 171362040 /nfs/dbraw/zinc/36/20/40/171362040.db2.gz DIHSLKFOPDUBLE-STQMWFEESA-N 2 0 291.395 1.583 10 0 CDAERP CN([C@@H](C[NH3+])c1cccs1)C1CC[NH+](C)CC1 ZINC000022168474 171366888 /nfs/dbraw/zinc/36/68/88/171366888.db2.gz QTLOBJGQVPDCLE-LBPRGKRZSA-N 2 0 253.415 1.774 10 0 CDAERP CCC[NH+]1CCN([C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000022219796 171377464 /nfs/dbraw/zinc/37/74/64/171377464.db2.gz YPHSGCHHFAROHH-HNNXBMFYSA-N 2 0 253.434 1.922 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@H](C(C)C)[C@H](C)[NH3+] ZINC000653214892 412143122 /nfs/dbraw/zinc/14/31/22/412143122.db2.gz GFUSNDZNNZGXMC-SWLSCSKDSA-N 2 0 277.412 1.642 10 0 CDAERP CC[NH+]1CCN(C[C@@H]([NH3+])c2cccc(OC)c2)CC1 ZINC000022563571 171391244 /nfs/dbraw/zinc/39/12/44/171391244.db2.gz MPIYSJYODZVFSU-OAHLLOKOSA-N 2 0 263.385 1.333 10 0 CDAERP [NH3+]CC12CCC(CC1)CN2C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000653168614 412105876 /nfs/dbraw/zinc/10/58/76/412105876.db2.gz JSYORKMIINPWDD-SBEAFCBVSA-N 2 0 265.401 1.234 10 0 CDAERP C[C@@H]1CN(C(=O)c2cccc3c2CC[NH2+]C3)C[C@@]1(C)C[NH3+] ZINC000662815216 413536125 /nfs/dbraw/zinc/53/61/25/413536125.db2.gz OSQOLBNBWLNDHU-SJKOYZFVSA-N 2 0 287.407 1.389 10 0 CDAERP CN(Cc1ccsc1)C1(C[NH3+])CC[NH+](C)CC1 ZINC000035719058 172373027 /nfs/dbraw/zinc/37/30/27/172373027.db2.gz GORKLHJKGFYTQK-UHFFFAOYSA-N 2 0 253.415 1.603 10 0 CDAERP COC[C@H](C)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656783610 413652597 /nfs/dbraw/zinc/65/25/97/413652597.db2.gz RFYLKHOPQWFNIF-HIFRSBDPSA-N 2 0 254.418 1.981 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000659430099 413812218 /nfs/dbraw/zinc/81/22/18/413812218.db2.gz IUKXHKMRCYXAHL-CQSZACIVSA-N 2 0 282.432 1.286 10 0 CDAERP CCC[N@@H+]1CC[C@@H](NC(=O)NCC[NH+]2CCCC[C@@H]2C)C1 ZINC000660395813 413786925 /nfs/dbraw/zinc/78/69/25/413786925.db2.gz MCJHJLDIYOSEPH-LSDHHAIUSA-N 2 0 296.459 1.644 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000659479078 413869947 /nfs/dbraw/zinc/86/99/47/413869947.db2.gz GXBNNNVFUOSSGE-GXTWGEPZSA-N 2 0 282.432 1.309 10 0 CDAERP C[NH2+]C[C@H](C)NC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000659441347 413824283 /nfs/dbraw/zinc/82/42/83/413824283.db2.gz QYPJVFABAVFREK-ZFWWWQNUSA-N 2 0 292.427 1.066 10 0 CDAERP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@H](Cn2ccnn2)C1 ZINC000661145314 413829329 /nfs/dbraw/zinc/82/93/29/413829329.db2.gz KKKQSYURXMBPER-KBPBESRZSA-N 2 0 263.389 1.084 10 0 CDAERP CC(C)[NH+](CCCNC(=O)N1CC2CC1(C[NH3+])C2)C(C)C ZINC000659464907 413853352 /nfs/dbraw/zinc/85/33/52/413853352.db2.gz RUBRUHBRAZMWDN-UHFFFAOYSA-N 2 0 296.459 1.628 10 0 CDAERP CC[NH2+]CCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659514206 413910180 /nfs/dbraw/zinc/91/01/80/413910180.db2.gz FBEAISCZROFDGL-HUUCEWRRSA-N 2 0 290.411 1.041 10 0 CDAERP CC(C)[C@H]([NH3+])CC[NH2+][C@H](Cn1cccn1)C(C)C ZINC000665281393 414020426 /nfs/dbraw/zinc/02/04/26/414020426.db2.gz AWDUPHFMGDACEO-ZIAGYGMSSA-N 2 0 252.406 1.871 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407422011 413959822 /nfs/dbraw/zinc/95/98/22/413959822.db2.gz LVDPANDLQZTOCO-QLFBSQMISA-N 2 0 281.444 1.610 10 0 CDAERP CC(C)C[C@H](CNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1)[NH+](C)C ZINC000407443279 413966698 /nfs/dbraw/zinc/96/66/98/413966698.db2.gz VQVIHVVKXCYKJU-RBSFLKMASA-N 2 0 281.444 1.610 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NCCC1CC[NH2+]CC1 ZINC000659561270 413970903 /nfs/dbraw/zinc/97/09/03/413970903.db2.gz IOFMLBXJALAXJQ-CYBMUJFWSA-N 2 0 270.421 1.049 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000665240443 413973574 /nfs/dbraw/zinc/97/35/74/413973574.db2.gz LEXHPYFBGAFKQR-ZQIUZPCESA-N 3 0 291.439 1.469 10 0 CDAERP FC1(F)C[C@@H]1OCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000665244725 413976092 /nfs/dbraw/zinc/97/60/92/413976092.db2.gz VAEOOQDETAWLEW-RNJOBUHISA-N 2 0 274.355 1.921 10 0 CDAERP CCN(CC)C(=O)C[C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000665279776 414020802 /nfs/dbraw/zinc/02/08/02/414020802.db2.gz LWMDCBURWLSFGM-CHWSQXEVSA-N 2 0 257.422 1.596 10 0 CDAERP C[C@@H](NCCC[NH+]1CCCC1)[C@@H]1CCC[N@H+](C)C1 ZINC000037220934 173039315 /nfs/dbraw/zinc/03/93/15/173039315.db2.gz GKVMHRHOMSYUOK-HUUCEWRRSA-N 2 0 253.434 1.792 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]CCNC(C)=O)C1 ZINC000037221428 173040066 /nfs/dbraw/zinc/04/00/66/173040066.db2.gz IBNSJDUFOMDEER-TZMCWYRMSA-N 2 0 255.406 1.223 10 0 CDAERP CCOc1ccc(C[NH2+]CCN2CC[NH+](C)CC2)cc1 ZINC000037496750 173236011 /nfs/dbraw/zinc/23/60/11/173236011.db2.gz QXINDDYLCIBECT-UHFFFAOYSA-N 2 0 277.412 1.422 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc3c[nH+]cn3c2)C1 ZINC000655131721 414080600 /nfs/dbraw/zinc/08/06/00/414080600.db2.gz KKPWNKRQDYCBRH-CYBMUJFWSA-N 2 0 287.367 1.228 10 0 CDAERP COc1cc2[nH+]ccc(N[C@H](C)[C@H](C)[NH3+])c2cc1OC ZINC000663242832 414081174 /nfs/dbraw/zinc/08/11/74/414081174.db2.gz VAIJNSAHWZTAGL-VHSXEESVSA-N 2 0 275.352 1.822 10 0 CDAERP CCN(C(=O)NC[C@@H]1CC[NH+]1C(C)(C)C)[C@H]1CC[N@H+](C)C1 ZINC000665355329 414098097 /nfs/dbraw/zinc/09/80/97/414098097.db2.gz QKUGLXLOPDLXGZ-KBPBESRZSA-N 2 0 296.459 1.595 10 0 CDAERP COC[C@@H](C[NH+]1CCC(CC[NH+](C)C)CC1)OC ZINC000659853612 414185799 /nfs/dbraw/zinc/18/57/99/414185799.db2.gz UNIFWIKHVWHJOR-CQSZACIVSA-N 2 0 258.406 1.312 10 0 CDAERP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)CO2 ZINC000655804084 414198811 /nfs/dbraw/zinc/19/88/11/414198811.db2.gz OMNXCRUJHJCTIZ-YUELXQCFSA-N 2 0 290.407 1.929 10 0 CDAERP COCC1(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000655815510 414217816 /nfs/dbraw/zinc/21/78/16/414217816.db2.gz BMEITPZGSKLSEY-CQSZACIVSA-N 2 0 268.401 1.256 10 0 CDAERP CC(C)(CCO)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657381403 414261033 /nfs/dbraw/zinc/26/10/33/414261033.db2.gz GKKFFVWXZNFWNG-UHFFFAOYSA-N 2 0 274.368 1.766 10 0 CDAERP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000663498945 414297685 /nfs/dbraw/zinc/29/76/85/414297685.db2.gz VOVNHHOLGTXNRG-GFCCVEGCSA-N 2 0 266.389 1.180 10 0 CDAERP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@]1(O)CCCOC1 ZINC000659959867 414298806 /nfs/dbraw/zinc/29/88/06/414298806.db2.gz GITKRNVRNGYKCA-CABCVRRESA-N 2 0 270.417 1.334 10 0 CDAERP Cc1cc(C)n2c(C[NH2+]CC[C@@H]([NH3+])C(C)C)cnc2n1 ZINC000663500835 414301710 /nfs/dbraw/zinc/30/17/10/414301710.db2.gz WNZSHIUZDIMBTE-CQSZACIVSA-N 2 0 275.400 1.809 10 0 CDAERP CC1(C)C[NH2+]CC[C@@H]1NCc1nc2c(s1)C[NH2+]CC2 ZINC000663500183 414303094 /nfs/dbraw/zinc/30/30/94/414303094.db2.gz YTNNJTCMEDGYRH-LBPRGKRZSA-N 2 0 280.441 1.267 10 0 CDAERP C[NH+](C)CCC[C@@H]1CN(C[C@]2(C)CC[NH2+]C2)CCO1 ZINC000663509920 414312524 /nfs/dbraw/zinc/31/25/24/414312524.db2.gz BKKQTVWKVGZXAP-HUUCEWRRSA-N 2 0 269.433 1.029 10 0 CDAERP COC[C@@H](C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)OC ZINC000659974632 414312444 /nfs/dbraw/zinc/31/24/44/414312444.db2.gz OGAHTYNYQBWYHP-LSDHHAIUSA-N 2 0 270.417 1.312 10 0 CDAERP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](OC)[C@H]2CCOC2)C1 ZINC000659976196 414313902 /nfs/dbraw/zinc/31/39/02/414313902.db2.gz REXRPJDNJWMQAN-HRCADAONSA-N 2 0 284.444 1.702 10 0 CDAERP CCC[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C[C@H]1CCCCO1 ZINC000662255750 414590793 /nfs/dbraw/zinc/59/07/93/414590793.db2.gz DDEMCDYREDUIFZ-CABCVRRESA-N 2 0 282.428 1.789 10 0 CDAERP CCCN(C)CC(C)(C)[NH2+]CC[C@H]1CCNC1=O ZINC000662179352 414556026 /nfs/dbraw/zinc/55/60/26/414556026.db2.gz JPBLVQPQSDOOPA-GFCCVEGCSA-N 2 0 255.406 1.223 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)[C@@H]([NH3+])CCSC)CC1 ZINC000040461639 174270538 /nfs/dbraw/zinc/27/05/38/174270538.db2.gz JWBBREUFBNEXFJ-LBPRGKRZSA-N 2 0 273.446 1.010 10 0 CDAERP CC(C)[NH+]1CCC(C[NH3+])(N(C)Cc2cscn2)CC1 ZINC000042863580 174894118 /nfs/dbraw/zinc/89/41/18/174894118.db2.gz GIMJRSALFCAPBK-UHFFFAOYSA-N 2 0 282.457 1.777 10 0 CDAERP CC[C@H]([NH3+])[C@H](c1cccnc1)N1CC[NH+](CC)CC1 ZINC000043345666 175016833 /nfs/dbraw/zinc/01/68/33/175016833.db2.gz XNIOHJKVKXDVIX-GJZGRUSLSA-N 2 0 262.401 1.498 10 0 CDAERP CC(C)CN(CC[NH+](C)C)[C@H](C[NH3+])c1ccncc1 ZINC000043354816 175022078 /nfs/dbraw/zinc/02/20/78/175022078.db2.gz FRAOTMSSNNGSBE-OAHLLOKOSA-N 2 0 264.417 1.601 10 0 CDAERP C[C@@H](C[C@@H](C[NH3+])N1CC[NH+](C)CC1)c1ccccc1 ZINC000043534502 175062919 /nfs/dbraw/zinc/06/29/19/175062919.db2.gz VAEANKJYAMGLCY-HOCLYGCPSA-N 2 0 261.413 1.755 10 0 CDAERP CCOC(=O)[C@H](C)C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000043613381 175079447 /nfs/dbraw/zinc/07/94/47/175079447.db2.gz QGSPDLRFNMYKBE-VXGBXAGGSA-N 2 0 254.374 1.260 10 0 CDAERP CC[NH+]1CCN(C[C@@H]([NH2+]C)c2ccc(OC)cc2)CC1 ZINC000043805783 175107366 /nfs/dbraw/zinc/10/73/66/175107366.db2.gz ATVJZEVMSZZWMC-MRXNPFEDSA-N 2 0 277.412 1.593 10 0 CDAERP CC[NH+]1CCN(C[C@H]([NH2+]C)c2ccccc2OC)CC1 ZINC000043805747 175107456 /nfs/dbraw/zinc/10/74/56/175107456.db2.gz DKKZDESOFPXFFJ-HNNXBMFYSA-N 2 0 277.412 1.593 10 0 CDAERP CC[NH+]1CCN(C[C@@H]([NH2+]C)c2ccc3c(c2)OCO3)CC1 ZINC000043805799 175107618 /nfs/dbraw/zinc/10/76/18/175107618.db2.gz BKZRBGAOACMUAL-CQSZACIVSA-N 2 0 291.395 1.313 10 0 CDAERP CCC[NH+]1CCN([C@@H]2COc3ccccc3[C@H]2[NH2+]C)CC1 ZINC000043805391 175107850 /nfs/dbraw/zinc/10/78/50/175107850.db2.gz JUOBLNOZNRXMRX-NVXWUHKLSA-N 2 0 289.423 1.736 10 0 CDAERP CC[NH2+][C@@H]1c2ccccc2C[C@H]1N1CC[NH+](CC)CC1 ZINC000043806040 175108468 /nfs/dbraw/zinc/10/84/68/175108468.db2.gz YADRGKFDJRHVFJ-IAGOWNOFSA-N 2 0 273.424 1.899 10 0 CDAERP C[NH2+][C@H]1c2ccccc2OC[C@@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815249 175111656 /nfs/dbraw/zinc/11/16/56/175111656.db2.gz OPEVAOMTYKGYKC-RDJZCZTQSA-N 2 0 289.423 1.734 10 0 CDAERP C[NH2+][C@H]1c2ccccc2CC[C@@H]1N1CCC[N@H+](C)CC1 ZINC000043818249 175113090 /nfs/dbraw/zinc/11/30/90/175113090.db2.gz HBVRAQUJXZCJEF-IRXDYDNUSA-N 2 0 273.424 1.899 10 0 CDAERP C[NH2+][C@@H](CN1CCC([NH+](C)C)CC1)c1ccccc1OC ZINC000043897261 175120098 /nfs/dbraw/zinc/12/00/98/175120098.db2.gz OXHXTZITCKOLFI-INIZCTEOSA-N 2 0 291.439 1.982 10 0 CDAERP CCC[NH+]1CCN([C@H](c2ccncc2)[C@@H]([NH3+])CC)CC1 ZINC000044419072 175173905 /nfs/dbraw/zinc/17/39/05/175173905.db2.gz SVYAFANGDPXIQC-JKSUJKDBSA-N 2 0 276.428 1.888 10 0 CDAERP C[C@@H](C(=O)NCC1CC[NH2+]CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000044503463 175186558 /nfs/dbraw/zinc/18/65/58/175186558.db2.gz NVFGQFUCWQASEP-XQQFMLRXSA-N 2 0 267.417 1.364 10 0 CDAERP CC[NH+]1CCC(C[NH2+]CC(=O)NCCC(C)C)CC1 ZINC000044518479 175190924 /nfs/dbraw/zinc/19/09/24/175190924.db2.gz ZYQLWXZWGZWIOC-UHFFFAOYSA-N 2 0 269.433 1.470 10 0 CDAERP C[C@@H]1C[NH2+][C@@H](C)CCN(C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000044538715 175199933 /nfs/dbraw/zinc/19/99/33/175199933.db2.gz AGZBTZQVSNMHMO-QLFBSQMISA-N 2 0 253.434 1.648 10 0 CDAERP CCCC(C[NH3+])(CCC)C(=O)NCC1CC[NH+](C)CC1 ZINC000044808388 175257012 /nfs/dbraw/zinc/25/70/12/175257012.db2.gz FZNVXFZAZPSICE-UHFFFAOYSA-N 2 0 283.460 1.990 10 0 CDAERP CCC[NH2+][C@](C)(CCN1CC[NH+](C(C)(C)C)CC1)C(N)=O ZINC000045279761 175350403 /nfs/dbraw/zinc/35/04/03/175350403.db2.gz VTRLNKIYNHILLT-MRXNPFEDSA-N 2 0 298.475 1.036 10 0 CDAERP C[NH2+][C@@](C)(CCCC[NH+]1CCCCCCC1)C(N)=O ZINC000045371437 175364134 /nfs/dbraw/zinc/36/41/34/175364134.db2.gz GISBEJXOQHDSTQ-HNNXBMFYSA-N 2 0 269.433 1.886 10 0 CDAERP CC[NH2+][C@@](C)(CCC[NH+]1CCCCCCC1)C(N)=O ZINC000045371608 175364153 /nfs/dbraw/zinc/36/41/53/175364153.db2.gz FZCLNBYGVLEMSG-HNNXBMFYSA-N 2 0 269.433 1.886 10 0 CDAERP CC[N@H+](CCC[C@@](C)([NH2+]C1CC1)C(N)=O)C(C)C ZINC000045383912 175370619 /nfs/dbraw/zinc/37/06/19/175370619.db2.gz XXLBFUXKUNHGRU-CQSZACIVSA-N 2 0 255.406 1.493 10 0 CDAERP COC(=O)[C@@](C)([NH3+])CCCC[N@H+](C)C1CCCC1 ZINC000045384644 175372334 /nfs/dbraw/zinc/37/23/34/175372334.db2.gz BNPKBZJORIAMND-AWEZNQCLSA-N 2 0 256.390 1.922 10 0 CDAERP CC[N@H+](CCC[C@](C)([NH3+])C(=O)OC)C1CCCC1 ZINC000045390570 175375057 /nfs/dbraw/zinc/37/50/57/175375057.db2.gz WKODNWYZKQRFSU-AWEZNQCLSA-N 2 0 256.390 1.922 10 0 CDAERP CC(C)[NH2+][C@@H]1CCN(C[C@H]2CC[N@@H+](C(C)C)C2)C1=O ZINC000071035235 176024886 /nfs/dbraw/zinc/02/48/86/176024886.db2.gz DZWPDDQUELPTCS-UONOGXRCSA-N 2 0 267.417 1.316 10 0 CDAERP CC(C)[NH2+][C@@H]1CCN(CCCC[N@H+](C)C(C)C)C1=O ZINC000071034890 176024919 /nfs/dbraw/zinc/02/49/19/176024919.db2.gz RNKGKLARBYFMMD-CQSZACIVSA-N 2 0 269.433 1.706 10 0 CDAERP C[NH2+][C@@H]1CCN(C[C@H](c2cccc(OC)c2)[NH+](C)C)C1=O ZINC000071038308 176027183 /nfs/dbraw/zinc/02/71/83/176027183.db2.gz FBAGTMMUZMRXAU-HUUCEWRRSA-N 2 0 291.395 1.118 10 0 CDAERP CC[C@H]1CCC[C@@](C[NH3+])(N2CCN(CC[NH+](C)C)CC2)C1 ZINC000071124619 176035109 /nfs/dbraw/zinc/03/51/09/176035109.db2.gz LGUBQUHSKYGNPN-DLBZAZTESA-N 2 0 296.503 1.463 10 0 CDAERP C[NH2+]C[C@H]1CCN(C(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000071142753 176040597 /nfs/dbraw/zinc/04/05/97/176040597.db2.gz JODDDIKVBCXACG-XDQVBPFNSA-N 2 0 267.417 1.316 10 0 CDAERP C[C@H]1CCC[C@H]([N@@H+]2CCCN(CCC[NH3+])CC2)C1 ZINC000071147377 176043393 /nfs/dbraw/zinc/04/33/93/176043393.db2.gz HDMPDRUTSRUICG-GJZGRUSLSA-N 2 0 253.434 1.922 10 0 CDAERP CC[C@@H](c1ccc(OC)cc1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071148870 176044579 /nfs/dbraw/zinc/04/45/79/176044579.db2.gz YAAGDMXGYMTBPB-KRWDZBQOSA-N 2 0 291.439 1.983 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)C[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000071190851 176068395 /nfs/dbraw/zinc/06/83/95/176068395.db2.gz ODUMCFIJYLCATE-UGUYLWEFSA-N 2 0 265.445 1.791 10 0 CDAERP CC(C)[NH2+]Cc1cccnc1N(C)C[C@H]1CC[N@H+](C)C1 ZINC000071191651 176070079 /nfs/dbraw/zinc/07/00/79/176070079.db2.gz FKONFJCYWNBBNV-AWEZNQCLSA-N 2 0 276.428 1.968 10 0 CDAERP CCC[NH2+][C@@H]1CCCN(C[C@@H]2CC[N@H+](CC)C2)C1 ZINC000071199238 176077199 /nfs/dbraw/zinc/07/71/99/176077199.db2.gz APLKSGPXANPCEN-HUUCEWRRSA-N 2 0 253.434 1.792 10 0 CDAERP CCC[NH+]1CCC(N2CCC[C@H]([NH2+]CC)C2)CC1 ZINC000071201388 176077558 /nfs/dbraw/zinc/07/75/58/176077558.db2.gz LKSADDKABTWPCM-AWEZNQCLSA-N 2 0 253.434 1.935 10 0 CDAERP CC[NH+]1CCC(CN2CCC[C@H]([NH2+]C3CC3)C2)CC1 ZINC000071200996 176077784 /nfs/dbraw/zinc/07/77/84/176077784.db2.gz HCCJVDKVMRIWRI-INIZCTEOSA-N 2 0 265.445 1.935 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1Cc1ccc(F)cc1C[NH3+] ZINC000071263639 176096895 /nfs/dbraw/zinc/09/68/95/176096895.db2.gz MZBSJKMMGSLINV-HNNXBMFYSA-N 2 0 265.376 1.810 10 0 CDAERP C[C@H]1CC[C@@H](C(=O)NCC[N@H+](C)C2CCCC2)C[C@@H]1[NH3+] ZINC000071380112 176144401 /nfs/dbraw/zinc/14/44/01/176144401.db2.gz YYGGDPXNRSITDP-GUTXKFCHSA-N 2 0 281.444 1.741 10 0 CDAERP CC(C)(O)C[NH+]1CCN(Cc2ccc(C[NH3+])cc2)CC1 ZINC000071380458 176144724 /nfs/dbraw/zinc/14/47/24/176144724.db2.gz XUJDDHAEMCZJPI-UHFFFAOYSA-N 2 0 277.412 1.034 10 0 CDAERP CCC(CC)(C[NH2+]C)CN1CC[NH+](CC(C)(C)O)CC1 ZINC000071381813 176145415 /nfs/dbraw/zinc/14/54/15/176145415.db2.gz CUPZJCLDJMGOTL-UHFFFAOYSA-N 2 0 285.476 1.401 10 0 CDAERP C[N@@H+]1CCCN(c2nc3ccccc3cc2C(N)=[NH2+])CC1 ZINC000071389982 176147860 /nfs/dbraw/zinc/14/78/60/176147860.db2.gz KXCHGMROWGJDCX-UHFFFAOYSA-N 2 0 283.379 1.661 10 0 CDAERP C[C@H](CNC(=O)[C@@]1(C)CCC[NH2+]1)[NH+]1CCCCC1 ZINC000079518645 177513868 /nfs/dbraw/zinc/51/38/68/177513868.db2.gz CUGONVPHPVYBIM-TZMCWYRMSA-N 2 0 253.390 1.119 10 0 CDAERP C[NH+](C)CCN1CC[NH+]([C@H]2CC(C)(C)CC[C@H]2O)CC1 ZINC000079658889 177532169 /nfs/dbraw/zinc/53/21/69/177532169.db2.gz QGKALWCHVUWSPB-LSDHHAIUSA-N 2 0 283.460 1.105 10 0 CDAERP CCOCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001666274569 1173123340 /nfs/dbraw/zinc/12/33/40/1173123340.db2.gz DVBYASRCBZDAIX-KKUMJFAQSA-N 2 0 297.443 1.134 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000653260167 423827961 /nfs/dbraw/zinc/82/79/61/423827961.db2.gz DBXZDCFOTHYRIS-RRFJBIMHSA-N 2 0 297.443 1.216 10 0 CDAERP CO[C@H](C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)C1CCCC1 ZINC000662274670 423839577 /nfs/dbraw/zinc/83/95/77/423839577.db2.gz ZOGSBZROZLBKST-HZPDHXFCSA-N 2 0 281.444 1.171 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655444526 423850558 /nfs/dbraw/zinc/85/05/58/423850558.db2.gz GUHDGIDLKQAOJU-YCPHGPKFSA-N 2 0 279.428 1.367 10 0 CDAERP CC1(NCc2nc3c(s2)C[NH2+]CC3)CC[NH2+]CC1 ZINC000663499969 423893722 /nfs/dbraw/zinc/89/37/22/423893722.db2.gz XUEPDKLHEONNOU-UHFFFAOYSA-N 2 0 266.414 1.021 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)[C@@H]2CCC[C@H]21 ZINC000652251942 424155072 /nfs/dbraw/zinc/15/50/72/424155072.db2.gz VFXPQZDGPLLYFP-FSKVPOERSA-N 2 0 250.386 1.769 10 0 CDAERP CN(CC[NH+]1CCCCC1)C(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000653274638 424225787 /nfs/dbraw/zinc/22/57/87/424225787.db2.gz LFELJNNYAWWTGO-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000662622153 424245211 /nfs/dbraw/zinc/24/52/11/424245211.db2.gz POBULPYEOZIJKM-XQQFMLRXSA-N 2 0 267.417 1.493 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)CC1([NH3+])CC1)c1cccc(F)c1 ZINC000662662619 424287106 /nfs/dbraw/zinc/28/71/06/424287106.db2.gz IHMTULQRXBWVFR-CYBMUJFWSA-N 2 0 279.359 1.426 10 0 CDAERP C[NH+](C)[C@@]1(CNC(=O)C2([NH2+]C3CC3)CCC2)CCSC1 ZINC000662683408 424313322 /nfs/dbraw/zinc/31/33/22/424313322.db2.gz ZBBUZIBDSFVPDV-CQSZACIVSA-N 2 0 297.468 1.215 10 0 CDAERP C[C@H](C(=O)N[C@@H](C[NH3+])C(F)(F)F)[C@H]([NH3+])c1ccccc1 ZINC000655505410 424667984 /nfs/dbraw/zinc/66/79/84/424667984.db2.gz ZBNUUTBTSHTARG-LSJOCFKGSA-N 2 0 289.301 1.328 10 0 CDAERP CC(C)(C[NH2+][C@H]1CCC[C@H]1C[NH3+])C(=O)N1CCCC1 ZINC000530222327 271164898 /nfs/dbraw/zinc/16/48/98/271164898.db2.gz IRWWLIMAVBVKQU-STQMWFEESA-N 2 0 267.417 1.352 10 0 CDAERP CCN(C(=O)C[NH2+]C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000368453907 276061761 /nfs/dbraw/zinc/06/17/61/276061761.db2.gz NELZEPHUGAKZFR-GDBMZVCRSA-N 2 0 289.423 1.890 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000136205218 276167329 /nfs/dbraw/zinc/16/73/29/276167329.db2.gz ORYDUWOWRKYZEF-OCCSQVGLSA-N 2 0 253.390 1.119 10 0 CDAERP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@](C)(O)C(C)C)C2)CC1 ZINC000187002293 276201074 /nfs/dbraw/zinc/20/10/74/276201074.db2.gz CJIZIKQQYRERMU-HOTGVXAUSA-N 2 0 283.460 1.105 10 0 CDAERP CC[NH+](CC)CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000368619706 276327221 /nfs/dbraw/zinc/32/72/21/276327221.db2.gz RPHOOCWZPUSMGO-ZNMIVQPWSA-N 2 0 253.434 1.791 10 0 CDAERP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](C)C[C@H](C)[C@H]2C)CC1 ZINC000355791877 276359484 /nfs/dbraw/zinc/35/94/84/276359484.db2.gz XYJWBQZWRIFOMP-QLFBSQMISA-N 2 0 295.471 1.953 10 0 CDAERP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](C)C[C@@H](C)[C@H]2C)CC1 ZINC000355791880 276359583 /nfs/dbraw/zinc/35/95/83/276359583.db2.gz XYJWBQZWRIFOMP-RBSFLKMASA-N 2 0 295.471 1.953 10 0 CDAERP C[NH+](C)CC1CC[NH+]([C@@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000044170001 276783182 /nfs/dbraw/zinc/78/31/82/276783182.db2.gz AUBQQKSDVAZADN-SJORKVTESA-N 2 0 274.408 1.918 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H]2O)[C@@H]2CCC[C@@H]21 ZINC000453396573 277171565 /nfs/dbraw/zinc/17/15/65/277171565.db2.gz YLUIIZJTPASSPU-YYFQZIEXSA-N 2 0 252.402 1.610 10 0 CDAERP COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420375329 277373872 /nfs/dbraw/zinc/37/38/72/277373872.db2.gz PDUBINNMAOKOFE-SYQHCUMBSA-N 2 0 266.385 1.260 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000333454997 277393450 /nfs/dbraw/zinc/39/34/50/277393450.db2.gz YBGZOCQRENOJCL-RBSFLKMASA-N 2 0 296.459 1.404 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)N2CC[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000334881459 277584035 /nfs/dbraw/zinc/58/40/35/277584035.db2.gz IGULDDWXOGHGAD-AWEZNQCLSA-N 2 0 296.459 1.628 10 0 CDAERP COc1cc(C[NH2+]CCCC[NH+](C)C)cc(OC)c1O ZINC000045663816 277818167 /nfs/dbraw/zinc/81/81/67/277818167.db2.gz KUEKNECXOOLXDE-UHFFFAOYSA-N 2 0 282.384 1.841 10 0 CDAERP CC(C)(C)CC[NH+]1CCN(C(=O)C2([NH3+])CCOCC2)CC1 ZINC000261743941 278315130 /nfs/dbraw/zinc/31/51/30/278315130.db2.gz DUVGDIDDCUUDDL-UHFFFAOYSA-N 2 0 297.443 1.075 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000055086249 279099401 /nfs/dbraw/zinc/09/94/01/279099401.db2.gz QHPBPYXRCDKAMP-STQMWFEESA-N 2 0 255.406 1.352 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000226749638 279132214 /nfs/dbraw/zinc/13/22/14/279132214.db2.gz MKNPZUKQKVJYNW-RWMBFGLXSA-N 2 0 255.406 1.350 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000245423057 279300293 /nfs/dbraw/zinc/30/02/93/279300293.db2.gz JFVKARPHGUGZFL-AGIUHOORSA-N 2 0 253.390 1.057 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000108557017 279308607 /nfs/dbraw/zinc/30/86/07/279308607.db2.gz IRQZWAGUTPEDHB-CABCVRRESA-N 2 0 298.475 1.604 10 0 CDAERP CC[C@](C)(O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000118942815 279350601 /nfs/dbraw/zinc/35/06/01/279350601.db2.gz ZBAQNFDBRWSKFV-KRWDZBQOSA-N 2 0 298.471 1.972 10 0 CDAERP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000356734177 279371076 /nfs/dbraw/zinc/37/10/76/279371076.db2.gz CIGWOIDZJFTOQL-RDBSUJKOSA-N 2 0 269.433 1.562 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCOCCOC)[C@@H](C)C1 ZINC000247003083 279398267 /nfs/dbraw/zinc/39/82/67/279398267.db2.gz LAPIYYWDNCZOKY-UONOGXRCSA-N 2 0 258.406 1.312 10 0 CDAERP O=C([C@H]1C[NH2+]Cc2ccccc21)N1CCC2(CC[NH2+]2)CC1 ZINC000335405409 280144268 /nfs/dbraw/zinc/14/42/68/280144268.db2.gz DHTOEQWUZZZEIZ-HNNXBMFYSA-N 2 0 285.391 1.228 10 0 CDAERP CC(C)[C@H](C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1)[NH+](C)C ZINC000378223140 280148619 /nfs/dbraw/zinc/14/86/19/280148619.db2.gz GWHQJNAGXRSUNJ-RRFJBIMHSA-N 2 0 281.444 1.563 10 0 CDAERP CC[N@H+](CC(=O)N[C@H]1C[NH+](C(C)C)C[C@H]1C)C1CC1 ZINC000246329116 280272371 /nfs/dbraw/zinc/27/23/71/280272371.db2.gz SKTQPPBRXUOHQL-OCCSQVGLSA-N 2 0 267.417 1.316 10 0 CDAERP CC[N@H+](CC(=O)N[C@@H]1C[NH+](C(C)C)C[C@H]1C)C1CC1 ZINC000246329126 280272477 /nfs/dbraw/zinc/27/24/77/280272477.db2.gz SKTQPPBRXUOHQL-TZMCWYRMSA-N 2 0 267.417 1.316 10 0 CDAERP CC[NH+]1CCC[C@H](N[C@H]2CC[N@@H+](CC)C[C@@H]2C)C1 ZINC000246976890 280313388 /nfs/dbraw/zinc/31/33/88/280313388.db2.gz JKNWLRCJLCZQHK-KKUMJFAQSA-N 2 0 253.434 1.791 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCOCC(F)F)[C@@H](C)C1 ZINC000248934998 280395634 /nfs/dbraw/zinc/39/56/34/280395634.db2.gz BWFCAAWWIUFUDI-RYUDHWBXSA-N 2 0 264.360 1.930 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1ccc(C[NH3+])cc1 ZINC000251899921 288297606 /nfs/dbraw/zinc/29/76/06/288297606.db2.gz WHTIMIKGGYZZSL-CJNGLKHVSA-N 2 0 287.407 1.844 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000261627140 288303619 /nfs/dbraw/zinc/30/36/19/288303619.db2.gz HHSJTBAFXXVIDR-FVQBIDKESA-N 2 0 293.455 1.979 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000423400233 288323199 /nfs/dbraw/zinc/32/31/99/288323199.db2.gz QBWPKMVFDXCKSB-RGDJUOJXSA-N 2 0 252.402 1.778 10 0 CDAERP C[C@@H]1[C@H](C)N(C(=O)CC[C@H]2CCCC[NH+]2C)CC[N@H+]1C ZINC000355609566 289010460 /nfs/dbraw/zinc/01/04/60/289010460.db2.gz CNFXQUNSDSDOFC-QLFBSQMISA-N 2 0 281.444 1.802 10 0 CDAERP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423276426 289773518 /nfs/dbraw/zinc/77/35/18/289773518.db2.gz OMAYPOLUSNNLQY-USXIJHARSA-N 3 0 275.440 1.924 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H](c2cccs2)[NH+](C)C)C1 ZINC000552844286 290083234 /nfs/dbraw/zinc/08/32/34/290083234.db2.gz UHKBFAYISOIXDT-CHWSQXEVSA-N 2 0 295.452 1.809 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(CCO)CCOC2)[C@@H]2CCC[C@H]21 ZINC000353394733 290220980 /nfs/dbraw/zinc/22/09/80/290220980.db2.gz NTOJDULGENDHLM-JONQDZQNSA-N 2 0 282.428 1.238 10 0 CDAERP Cc1cnn(CC[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420378645 293000543 /nfs/dbraw/zinc/00/05/43/293000543.db2.gz BGXUCMKPKXRUFE-GJZGRUSLSA-N 2 0 262.401 1.656 10 0 CDAERP CC(C)C[NH+]1CCC(NC(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000561128791 293052789 /nfs/dbraw/zinc/05/27/89/293052789.db2.gz OYYDLSYLIMXBDQ-CQSZACIVSA-N 2 0 296.459 1.548 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@@H](OC)C12CCC2 ZINC000423172155 293097618 /nfs/dbraw/zinc/09/76/18/293097618.db2.gz RPIAKCRRHUWESZ-YNEHKIRRSA-N 2 0 256.390 1.288 10 0 CDAERP O=C(NCc1ccc2c[nH+]cn2c1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000562665336 293169089 /nfs/dbraw/zinc/16/90/89/293169089.db2.gz NUMVUUSBNIRQIY-CYBMUJFWSA-N 2 0 299.378 1.370 10 0 CDAERP O=C(NCC[C@H]1CC[NH2+]C1)NC1CC([NH+]2CCCCC2)C1 ZINC000562812129 293202397 /nfs/dbraw/zinc/20/23/97/293202397.db2.gz GJEVCCBROSGAHT-WLYUNCDWSA-N 2 0 294.443 1.302 10 0 CDAERP COC[C@](C)(O)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000453246047 293262185 /nfs/dbraw/zinc/26/21/85/293262185.db2.gz CIYCSSHCQLZOEG-GBJTYRQASA-N 2 0 270.417 1.236 10 0 CDAERP COC[C@]1(C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)CCC[NH2+]1 ZINC000423411499 293294506 /nfs/dbraw/zinc/29/45/06/293294506.db2.gz FTNNADSHVLKDGO-YYIAUSFCSA-N 2 0 296.455 1.940 10 0 CDAERP Cc1ccccc1[C@@H]([NH3+])C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000565149448 293531329 /nfs/dbraw/zinc/53/13/29/293531329.db2.gz QJABQDRPFLXPMZ-GNHJJJEISA-N 2 0 287.407 1.725 10 0 CDAERP Cc1cc(C)n(CCC[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)n1 ZINC000570832365 294318821 /nfs/dbraw/zinc/31/88/21/294318821.db2.gz NRUGVNKEBRWVNM-HUUCEWRRSA-N 2 0 264.417 1.868 10 0 CDAERP CC(C)[C@@H]1CC[C@@H]([NH2+]CC(=O)N2CC[NH2+]CC2)C[C@@H]1C ZINC000572111613 294558420 /nfs/dbraw/zinc/55/84/20/294558420.db2.gz MNZILTCMPCWMPJ-ZNMIVQPWSA-N 2 0 281.444 1.469 10 0 CDAERP C[C@H](C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000248639712 298098915 /nfs/dbraw/zinc/09/89/15/298098915.db2.gz RAYJWIWIZZWHPP-ARSDKDGVSA-N 2 0 279.428 1.443 10 0 CDAERP [NH2+]=C(NO)[C@@H]1CCCCN1CCC[NH+]1CCCCC1 ZINC000364606524 303220200 /nfs/dbraw/zinc/22/02/00/303220200.db2.gz ZCBPELDQPVVTSW-ZDUSSCGKSA-N 2 0 268.405 1.673 10 0 CDAERP [NH3+]C[C@H](C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000334568642 303414257 /nfs/dbraw/zinc/41/42/57/303414257.db2.gz HWMARIHAYZURHL-GOEBONIOSA-N 2 0 291.370 1.080 10 0 CDAERP CCCCC[N@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001673486667 1173859540 /nfs/dbraw/zinc/85/95/40/1173859540.db2.gz MPIVZVVARQDBFD-HNNXBMFYSA-N 2 0 283.460 1.909 10 0 CDAERP C[C@H](CC[NH2+]C1CCN(C(N)=O)CC1)[NH+]1CCCCC1 ZINC000184338544 323361703 /nfs/dbraw/zinc/36/17/03/323361703.db2.gz IYQPTUQMMGFSEO-CYBMUJFWSA-N 2 0 282.432 1.384 10 0 CDAERP CC(C)OC[C@H](O)C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000578619336 323977456 /nfs/dbraw/zinc/97/74/56/323977456.db2.gz KSQJTPRESIMVHF-CQSZACIVSA-N 2 0 263.341 1.210 10 0 CDAERP CSC[C@@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000579943165 324320657 /nfs/dbraw/zinc/32/06/57/324320657.db2.gz DPFRHRGQSGBTIO-WVMKXHBISA-N 2 0 258.431 1.315 10 0 CDAERP CC[C@H]1C[N@H+](CC)CCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC000579978645 324337040 /nfs/dbraw/zinc/33/70/40/324337040.db2.gz YJHPMKSROKSBGK-KBPBESRZSA-N 2 0 267.417 1.271 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CO[C@H](C)C1 ZINC000581369228 324725108 /nfs/dbraw/zinc/72/51/08/324725108.db2.gz LVPSOPROJCDPCA-RISCZKNCSA-N 2 0 272.352 1.843 10 0 CDAERP C[C@]1(CNC2CC[NH+](C[C@H]3CCOC3)CC2)CC[NH2+]C1 ZINC000581489304 324761153 /nfs/dbraw/zinc/76/11/53/324761153.db2.gz UINRZEDFJODPOH-ZBFHGGJFSA-N 2 0 281.444 1.077 10 0 CDAERP [NH3+]Cc1ccc(-c2noc([C@H]3C[C@]34CC[NH2+]C4)n2)cc1 ZINC000581823856 324838007 /nfs/dbraw/zinc/83/80/07/324838007.db2.gz JPKZFZMBPQIORA-DOMZBBRYSA-N 2 0 270.336 1.662 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN[C@H]1CC[NH2+][C@H](C)C1 ZINC000583309791 325148947 /nfs/dbraw/zinc/14/89/47/325148947.db2.gz YVQKKWRAYKXSGK-DOMZBBRYSA-N 2 0 285.395 1.806 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCC2CCS(=O)(=O)CC2)C1 ZINC000584064380 326915710 /nfs/dbraw/zinc/91/57/10/326915710.db2.gz ZLORUYCVPIIXSZ-CHWSQXEVSA-N 2 0 274.430 1.061 10 0 CDAERP CCCC[NH2+][C@@H](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001267129630 1159131581 /nfs/dbraw/zinc/13/15/81/1159131581.db2.gz UKBOTXNGJNGXJV-ZFWWWQNUSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@@H]1[C@@H](NC2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000261543129 334196085 /nfs/dbraw/zinc/19/60/85/334196085.db2.gz HMTOXWPCESLGBE-PBHICJAKSA-N 2 0 273.424 1.991 10 0 CDAERP CN(CC[NH2+]Cc1ccccc1F)C(=O)CC[NH+](C)C ZINC001691461954 1159322592 /nfs/dbraw/zinc/32/25/92/1159322592.db2.gz WVIOWURPVQCPFR-UHFFFAOYSA-N 2 0 281.375 1.325 10 0 CDAERP CC[C@H](C(=O)NCC[C@@H]1CC[N@H+](CC)C1)[NH+](C)C ZINC001267568865 1159468472 /nfs/dbraw/zinc/46/84/72/1159468472.db2.gz MXRMQZCMSJLOEI-CHWSQXEVSA-N 2 0 255.406 1.175 10 0 CDAERP CCCCCN1CC(NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001481583407 1159796131 /nfs/dbraw/zinc/79/61/31/1159796131.db2.gz BBSAZWWVIDFFPR-UHFFFAOYSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)=CC[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001670793654 1159856134 /nfs/dbraw/zinc/85/61/34/1159856134.db2.gz VFJAXYLSADOITA-UHFFFAOYSA-N 2 0 279.428 1.675 10 0 CDAERP CCN(CCC[NH+](CC)CC)C(=O)CC1([NH3+])CC1 ZINC000398070629 482241672 /nfs/dbraw/zinc/24/16/72/482241672.db2.gz JQAFFLVNNKCHMC-UHFFFAOYSA-N 2 0 255.406 1.448 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CSC[C@@H]1C ZINC000668476182 482450390 /nfs/dbraw/zinc/45/03/90/482450390.db2.gz ZGUJHMINBNGOAE-MELADBBJSA-N 2 0 273.490 1.600 10 0 CDAERP CC[C@@H]1CN(C(=O)[C@H](C[NH3+])c2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000669516138 482538795 /nfs/dbraw/zinc/53/87/95/482538795.db2.gz UQMGHEXWZREPPU-KCPJHIHWSA-N 2 0 293.386 1.454 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000669516246 482539993 /nfs/dbraw/zinc/53/99/93/482539993.db2.gz ZNCNJNVOMKEHAN-JIMOISOXSA-N 2 0 281.787 1.454 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417290230 482578629 /nfs/dbraw/zinc/57/86/29/482578629.db2.gz SEFIKYCSVPOEDW-KFWWJZLASA-N 2 0 296.459 1.358 10 0 CDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC/C=C\C[NH3+] ZINC000669552647 482663956 /nfs/dbraw/zinc/66/39/56/482663956.db2.gz MACDOWWLYLKMCC-LMVHVUTASA-N 2 0 290.411 1.321 10 0 CDAERP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000681260798 482774857 /nfs/dbraw/zinc/77/48/57/482774857.db2.gz CCXBRFMEVXASKC-RYUDHWBXSA-N 2 0 255.406 1.364 10 0 CDAERP [NH3+]C/C=C\CNC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000669578462 482795081 /nfs/dbraw/zinc/79/50/81/482795081.db2.gz JYZLWYOCMURKMS-XVWMLYKFSA-N 2 0 294.443 1.598 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000517899238 482800084 /nfs/dbraw/zinc/80/00/84/482800084.db2.gz BZLZGOFNZXMDQG-MRXNPFEDSA-N 2 0 296.459 1.503 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000673663260 482804903 /nfs/dbraw/zinc/80/49/03/482804903.db2.gz XNJHFBLBPRECKB-JHJVBQTASA-N 2 0 253.390 1.070 10 0 CDAERP CC[N@H+](C)Cc1cccc(CNC(=O)NC/C=C\C[NH3+])c1 ZINC000669427129 483039243 /nfs/dbraw/zinc/03/92/43/483039243.db2.gz LQXKHEYYXJICKY-PLNGDYQASA-N 2 0 290.411 1.452 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH2+][C@H]2C)C1 ZINC000252651347 483118215 /nfs/dbraw/zinc/11/82/15/483118215.db2.gz IVDDSZQTBGYRQK-MJBXVCDLSA-N 2 0 267.417 1.221 10 0 CDAERP O=C1C[C@H]([C@@H]2CCCC[N@@H+]2CCC[NH+]2CCCCC2)CN1 ZINC000372905316 483133753 /nfs/dbraw/zinc/13/37/53/483133753.db2.gz POGZBKHXLKCQPT-HOTGVXAUSA-N 2 0 293.455 1.853 10 0 CDAERP CC[C@@H]1CN(Cc2ccnn2-c2cc[nH+]cc2)CCO1 ZINC000667494073 483317446 /nfs/dbraw/zinc/31/74/46/483317446.db2.gz MBPGATFDDFHUND-OAHLLOKOSA-N 2 0 272.352 1.878 10 0 CDAERP C[N@@H+]1CCC[C@H]2CN(Cc3cn(C4CCC4)nn3)CC[C@H]21 ZINC000667705944 483389956 /nfs/dbraw/zinc/38/99/56/483389956.db2.gz OJOZXTHGGFYFIO-XJKSGUPXSA-N 2 0 289.427 1.919 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)C2([NH+](C)C)CC2)CC1 ZINC000667718130 483400515 /nfs/dbraw/zinc/40/05/15/483400515.db2.gz RMPRMTDAFDLDMD-UHFFFAOYSA-N 2 0 267.417 1.319 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCCN(C)C1 ZINC000680111238 483540156 /nfs/dbraw/zinc/54/01/56/483540156.db2.gz PQFUAJAMTWLTAX-OAHLLOKOSA-N 2 0 285.395 1.760 10 0 CDAERP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cc4n(n3)CCC4)C2)CC1 ZINC000668169463 483595986 /nfs/dbraw/zinc/59/59/86/483595986.db2.gz RUUBLDQUWJRQHM-HNNXBMFYSA-N 2 0 288.439 1.993 10 0 CDAERP CC(C)[NH2+]C[C@H]1CC[C@H](C[N@@H+]2CCOC(C)(C)C2)O1 ZINC000052481891 519725557 /nfs/dbraw/zinc/72/55/57/519725557.db2.gz GVMRTORFOBNSMR-ZIAGYGMSSA-N 2 0 270.417 1.643 10 0 CDAERP C[C@@H](O)C[NH2+]C[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001483242274 1160878183 /nfs/dbraw/zinc/87/81/83/1160878183.db2.gz CXWZKDSIAFYSDD-QWHCGFSZSA-N 2 0 299.459 1.115 10 0 CDAERP CCC[NH+]1CCN(C[C@H]2CC[C@@H](C[NH2+]CC)O2)CC1 ZINC000052422019 519858402 /nfs/dbraw/zinc/85/84/02/519858402.db2.gz GQXAXDBHDSSDLD-LSDHHAIUSA-N 2 0 269.433 1.171 10 0 CDAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)NC ZINC000054629060 519907569 /nfs/dbraw/zinc/90/75/69/519907569.db2.gz IKPYFNGXWGLSIC-YHWZYXNKSA-N 2 0 253.390 1.118 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000061266922 519936560 /nfs/dbraw/zinc/93/65/60/519936560.db2.gz RJUQHVZWOYJSTC-OLZOCXBDSA-N 2 0 255.406 1.079 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000061267071 519937242 /nfs/dbraw/zinc/93/72/42/519937242.db2.gz GXMXOEWTGGPPOI-HIFRSBDPSA-N 2 0 277.412 1.651 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000061273561 520165884 /nfs/dbraw/zinc/16/58/84/520165884.db2.gz WSKJUUZZGUVBFS-CYBMUJFWSA-N 2 0 269.433 1.755 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC ZINC001671023606 1161406060 /nfs/dbraw/zinc/40/60/60/1161406060.db2.gz NIDYHGZCEDGFSL-OKILXGFUSA-N 2 0 267.417 1.413 10 0 CDAERP C[NH+](C)CCN1CC[NH+](CCC(=O)C(C)(C)C)CC1 ZINC000061653429 521764280 /nfs/dbraw/zinc/76/42/80/521764280.db2.gz PYEAWKAPCYMGHS-UHFFFAOYSA-N 2 0 269.433 1.171 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1CC[NH2+]Cc1cccs1 ZINC000061655237 521869306 /nfs/dbraw/zinc/86/93/06/521869306.db2.gz YYTFVWZEPVLEFN-CYBMUJFWSA-N 2 0 267.442 1.864 10 0 CDAERP COCC[C@H]([NH3+])C(=O)Nc1ccccc1C[NH+](C)C ZINC000052791708 521948706 /nfs/dbraw/zinc/94/87/06/521948706.db2.gz SCVDDEKSEHWNPL-LBPRGKRZSA-N 2 0 265.357 1.051 10 0 CDAERP C[NH2+][C@H](C)c1cnc(N(C)C2CC[NH+](C)CC2)s1 ZINC000054899509 522454497 /nfs/dbraw/zinc/45/44/97/522454497.db2.gz AENVVGGWQVBIOK-SNVBAGLBSA-N 2 0 268.430 1.954 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+][C@H](C)[C@H]2C[C@H]2C)CC1 ZINC000414052970 535698722 /nfs/dbraw/zinc/69/87/22/535698722.db2.gz AFVDPHWPBKUGIZ-KFWWJZLASA-N 2 0 253.434 1.648 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000246216433 519678002 /nfs/dbraw/zinc/67/80/02/519678002.db2.gz GHJZZFRRXMCTHA-RDBSUJKOSA-N 2 0 267.417 1.350 10 0 CDAERP CC(C)[NH+]1CCN([C@]2(C[NH3+])CCCSC2)CC1 ZINC000061590065 519683754 /nfs/dbraw/zinc/68/37/54/519683754.db2.gz FKKRSPWLMBECMC-ZDUSSCGKSA-N 2 0 257.447 1.237 10 0 CDAERP CC(C)C[NH+]1CCN(c2ccc(C(N)=[NH2+])cc2)CC1 ZINC000055079651 519728584 /nfs/dbraw/zinc/72/85/84/519728584.db2.gz BBXSMZDSDKZRLI-UHFFFAOYSA-N 2 0 260.385 1.749 10 0 CDAERP CC(C)[NH2+][C@@](C)(C[C@H](C)N1CCOCC1(C)C)C(N)=O ZINC000068635725 519736719 /nfs/dbraw/zinc/73/67/19/519736719.db2.gz NBQQJHGHMJCYRI-WFASDCNBSA-N 2 0 285.432 1.118 10 0 CDAERP CC(C)C[NH2+]C[C@H](C)CN1CCN(CC[NH+](C)C)CC1 ZINC000061655010 519745758 /nfs/dbraw/zinc/74/57/58/519745758.db2.gz XWODQOJJSFOBCG-INIZCTEOSA-N 2 0 284.492 1.047 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CC[C@H](C[NH+]2CCN(C3CC3)CC2)O1 ZINC000052371409 519746433 /nfs/dbraw/zinc/74/64/33/519746433.db2.gz ROJIRVDDHRMFJG-IAGOWNOFSA-N 2 0 295.471 1.560 10 0 CDAERP CCC[NH+]1CCN(C(=O)[C@H]2[C@@H](C)CCC[C@@H]2[NH3+])CC1 ZINC000055124589 519856398 /nfs/dbraw/zinc/85/63/98/519856398.db2.gz IEAXZNXIPVREPS-IHRRRGAJSA-N 2 0 267.417 1.304 10 0 CDAERP CCCC1CC[NH+](CCN2CCC[NH2+]CC2)CC1 ZINC000061275840 519901530 /nfs/dbraw/zinc/90/15/30/519901530.db2.gz FUOMADBHRGZJHG-UHFFFAOYSA-N 2 0 253.434 1.794 10 0 CDAERP CC[NH2+]CC1(CN2CC[NH+](C(C)C)CC2)CCOCC1 ZINC000052181848 519913274 /nfs/dbraw/zinc/91/32/74/519913274.db2.gz WFLNRNMYXXEZHJ-UHFFFAOYSA-N 2 0 283.460 1.419 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000061234631 519967323 /nfs/dbraw/zinc/96/73/23/519967323.db2.gz CWGHXDRRFREUAZ-ZDUSSCGKSA-N 2 0 293.411 1.811 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2cccnc2)O1 ZINC000052479519 519977112 /nfs/dbraw/zinc/97/71/12/519977112.db2.gz KNOSKXMXOPLXEK-CABCVRRESA-N 2 0 263.385 1.671 10 0 CDAERP CCC[NH2+][C@@](C)(CO)C[C@H](C)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000070336475 520038499 /nfs/dbraw/zinc/03/84/99/520038499.db2.gz FUFMEDYVVDQBSQ-YESZJQIVSA-N 2 0 297.487 1.686 10 0 CDAERP CC[NH2+][C@@H]1CC[C@H](CC)C[C@H]1C[N@@H+]1CC[C@H](O)C1 ZINC000061711915 520122216 /nfs/dbraw/zinc/12/22/16/520122216.db2.gz AWOMFHZQIFMTSS-ZQDZILKHSA-N 2 0 254.418 1.857 10 0 CDAERP CC[NH2+][C@@](C)(CO)CCCCN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000070337123 520136198 /nfs/dbraw/zinc/13/61/98/520136198.db2.gz JKOUNXLTGCBOBE-IAGOWNOFSA-N 2 0 297.487 1.687 10 0 CDAERP CC[NH2+][C@H]1CCOC[C@@H]1N1CCC(C[NH+]2CCCC2)CC1 ZINC000062051760 520217325 /nfs/dbraw/zinc/21/73/25/520217325.db2.gz UTRIYONDUDKSMB-IRXDYDNUSA-N 2 0 295.471 1.561 10 0 CDAERP CCO[C@@H](C[NH3+])C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062739950 520310916 /nfs/dbraw/zinc/31/09/16/520310916.db2.gz GJDQZBHCUXLNCH-HNNXBMFYSA-N 3 0 269.433 1.158 10 0 CDAERP CC[NH+](CC)CCOCCn1cc(C[NH2+]CC(C)C)nn1 ZINC000052671870 520693680 /nfs/dbraw/zinc/69/36/80/520693680.db2.gz DDBFSCDKOZCICG-UHFFFAOYSA-N 2 0 297.447 1.382 10 0 CDAERP CCCC[C@@H](CC)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000069382239 521038517 /nfs/dbraw/zinc/03/85/17/521038517.db2.gz HTZLJKWWIBHFQV-HUUCEWRRSA-N 2 0 281.444 1.851 10 0 CDAERP CCOC(=O)[C@@](C)([NH3+])CCCN1CC[NH+]([C@@H](C)CC)CC1 ZINC000055070219 521153419 /nfs/dbraw/zinc/15/34/19/521153419.db2.gz KECZXTJOPWVKEO-HOCLYGCPSA-N 2 0 299.459 1.463 10 0 CDAERP CCC(CC)[N@H+](CCO)CC1(C[NH2+]C)CCOCC1 ZINC000052183535 521553538 /nfs/dbraw/zinc/55/35/38/521553538.db2.gz KNZDEPKOPOWPHA-UHFFFAOYSA-N 2 0 272.433 1.486 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)C[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000055129410 521553615 /nfs/dbraw/zinc/55/36/15/521553615.db2.gz JNIUPTWRRVHLCR-ZIAGYGMSSA-N 2 0 281.444 1.837 10 0 CDAERP CCCN(CCC[NH+]1CCCC1)C1CC[NH2+]CC1 ZINC000049333917 521652958 /nfs/dbraw/zinc/65/29/58/521652958.db2.gz ZNKSPPSXCHYPDX-UHFFFAOYSA-N 2 0 253.434 1.936 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000055090259 521655901 /nfs/dbraw/zinc/65/59/01/521655901.db2.gz SBRYVDSFLRNOTA-QWHCGFSZSA-N 2 0 255.406 1.304 10 0 CDAERP C[NH+](C)CCN1CCN([C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000061643169 521763849 /nfs/dbraw/zinc/76/38/49/521763849.db2.gz OXWKYOXWVZCFEO-INIZCTEOSA-N 2 0 282.476 1.073 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1CC[NH2+]Cc1cccs1 ZINC000061655236 521839572 /nfs/dbraw/zinc/83/95/72/521839572.db2.gz YYTFVWZEPVLEFN-ZDUSSCGKSA-N 2 0 267.442 1.864 10 0 CDAERP CCc1ccccc1[C@H](C[NH3+])N1CCC[N@H+](C)CC1 ZINC000052203409 521953903 /nfs/dbraw/zinc/95/39/03/521953903.db2.gz QYAQICKASAVPNZ-INIZCTEOSA-N 2 0 261.413 1.886 10 0 CDAERP C[NH2+]Cc1cccc(CN2CCC([NH+](C)C)CC2)c1 ZINC000052477600 522127130 /nfs/dbraw/zinc/12/71/30/522127130.db2.gz GUUUDCZBEHUKMW-UHFFFAOYSA-N 2 0 261.413 1.932 10 0 CDAERP CC[C@@H](C)[NH+]1CCN([C@]2(C[NH3+])CC[N@@H+](C(C)C)C2)CC1 ZINC000055064453 522135061 /nfs/dbraw/zinc/13/50/61/522135061.db2.gz QNMRKERDYUZBGE-CVEARBPZSA-N 3 0 282.476 1.214 10 0 CDAERP CN(C)c1cc[nH+]cc1NC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000061611656 522312334 /nfs/dbraw/zinc/31/23/34/522312334.db2.gz MUSRNFNFOPPHFV-ZDUSSCGKSA-N 2 0 284.363 1.829 10 0 CDAERP CCc1nc(N2CCC[C@H]2C[NH+](C)C)sc1C[NH2+]C ZINC000061655604 522386517 /nfs/dbraw/zinc/38/65/17/522386517.db2.gz ZZMJYWZHTKGYSS-NSHDSACASA-N 2 0 282.457 1.955 10 0 CDAERP C[N@H+](CCc1ccncc1)CC1(C[NH3+])CCOCC1 ZINC000052182038 522977982 /nfs/dbraw/zinc/97/79/82/522977982.db2.gz GLMNRDRSRFWBIU-UHFFFAOYSA-N 2 0 263.385 1.311 10 0 CDAERP COC(=O)CC[NH+]1CCC(C[NH2+]CC(C)C)CC1 ZINC000069319474 523073215 /nfs/dbraw/zinc/07/32/15/523073215.db2.gz IIDLIESHJHGCGA-UHFFFAOYSA-N 2 0 256.390 1.507 10 0 CDAERP C[NH+]1CCC(CNC(=O)C[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000055140217 523760723 /nfs/dbraw/zinc/76/07/23/523760723.db2.gz KWGKRCKGDGRCFJ-ZIAGYGMSSA-N 2 0 267.417 1.352 10 0 CDAERP C[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@H](C[NH3+])C2)CC1 ZINC000055162858 523762639 /nfs/dbraw/zinc/76/26/39/523762639.db2.gz UZOHPNGAECQXJI-UONOGXRCSA-N 2 0 267.417 1.210 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)c2cccn2C2CC[NH2+]CC2)C1 ZINC000054443649 523817521 /nfs/dbraw/zinc/81/75/21/523817521.db2.gz DKZVOHMWNLRHGH-CYBMUJFWSA-N 2 0 290.411 1.237 10 0 CDAERP COCC[NH2+]CCCC[NH+]1CCN(C(C)C)CC1 ZINC000053499166 523936406 /nfs/dbraw/zinc/93/64/06/523936406.db2.gz OPAFZOSNTGELRB-UHFFFAOYSA-N 2 0 257.422 1.029 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)CC2CCC([NH3+])CC2)CC1 ZINC000055131999 523947247 /nfs/dbraw/zinc/94/72/47/523947247.db2.gz KFFDTSNCIKCXJD-NFOMZHRRSA-N 2 0 281.444 1.837 10 0 CDAERP CC[C@H](C)[NH+]1CCN(CC[C@@](C)([NH2+]C(C)C)C(N)=O)CC1 ZINC000055070603 523954343 /nfs/dbraw/zinc/95/43/43/523954343.db2.gz IAPWFVAGGACEPV-GOEBONIOSA-N 2 0 298.475 1.035 10 0 CDAERP CC[C@H](C)[NH+]1CCN(c2nc(C)c(C[NH3+])s2)CC1 ZINC000055076526 523961382 /nfs/dbraw/zinc/96/13/82/523961382.db2.gz FTPIIDOQQFBSQE-JTQLQIEISA-N 2 0 268.430 1.831 10 0 CDAERP C[NH+](C)CC1CCN(C(=O)[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000055088867 524049271 /nfs/dbraw/zinc/04/92/71/524049271.db2.gz ZQBCBHGGPZTXSV-UONOGXRCSA-N 2 0 267.417 1.304 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]CCn1cccn1 ZINC000049314089 524103342 /nfs/dbraw/zinc/10/33/42/524103342.db2.gz PWZKGVWFWPUEFT-CQSZACIVSA-N 2 0 250.390 1.737 10 0 CDAERP C[C@H]1CCC[C@@H](C(=O)NCCC[NH+]2CCCC2)[C@@H]1[NH3+] ZINC000062073384 524127618 /nfs/dbraw/zinc/12/76/18/524127618.db2.gz JOFVYRBBKUTTQM-BFHYXJOUSA-N 2 0 267.417 1.352 10 0 CDAERP C[C@H]1CC[C@H](C(=O)N2CCC([NH+](C)C)CC2)C[C@@H]1[NH3+] ZINC000055128184 524379726 /nfs/dbraw/zinc/37/97/26/524379726.db2.gz CHCSRNUFDUAAKA-OBJOEFQTSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@@H]1CC[C@@H](C(=O)NCC(C)(C)[NH+](C)C)C[C@@H]1[NH3+] ZINC000055141683 524557835 /nfs/dbraw/zinc/55/78/35/524557835.db2.gz OGFJXQGHDBEBAK-UTUOFQBUSA-N 2 0 255.406 1.206 10 0 CDAERP Cc1cccc(N2CC[NH+](C[C@H]3CC[C@@H](C[NH3+])O3)CC2)c1 ZINC000052418944 524558055 /nfs/dbraw/zinc/55/80/55/524558055.db2.gz HPOSUQAKFBRXBX-DLBZAZTESA-N 2 0 289.423 1.623 10 0 CDAERP C[C@@H]1CC[C@H](C[NH3+])[C@H]([N@@H+]2CCC[C@@H]2CN(C)C)C1 ZINC000061642531 524673231 /nfs/dbraw/zinc/67/32/31/524673231.db2.gz VGMOBCXZYCLBBJ-KBUPBQIOSA-N 2 0 253.434 1.776 10 0 CDAERP Cc1cc(CN2CC[NH+](CC(C)C)CC2)oc1C[NH3+] ZINC000055082865 524696202 /nfs/dbraw/zinc/69/62/02/524696202.db2.gz XWSPQCOJOZZWBM-UHFFFAOYSA-N 2 0 265.401 1.820 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)CC[NH2+]1 ZINC000369093941 524766242 /nfs/dbraw/zinc/76/62/42/524766242.db2.gz YGOHWIYPBVKDRE-XQLPTFJDSA-N 2 0 279.428 1.365 10 0 CDAERP COc1ccccc1[C@H]([NH3+])CN1CC[NH+](CC(C)C)CC1 ZINC000055079117 524793394 /nfs/dbraw/zinc/79/33/94/524793394.db2.gz SONRBCSFEYEZSD-MRXNPFEDSA-N 2 0 291.439 1.969 10 0 CDAERP C[C@@H](Cc1ccco1)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000062769799 524927015 /nfs/dbraw/zinc/92/70/15/524927015.db2.gz GWKWDAPGWIUKRJ-AWEZNQCLSA-N 2 0 279.428 1.826 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000070317328 524997188 /nfs/dbraw/zinc/99/71/88/524997188.db2.gz MCFNODFSRGGEOM-NFAWXSAZSA-N 2 0 269.433 1.741 10 0 CDAERP Cc1cc(F)ccc1[C@H](C[NH3+])N1CC[NH+](C2CC2)CC1 ZINC000050578941 525009749 /nfs/dbraw/zinc/00/97/49/525009749.db2.gz CGAJHYCFICWXIH-INIZCTEOSA-N 2 0 277.387 1.914 10 0 CDAERP C[C@@H]1CCC(=O)[C@@H](C[NH+]2CCN(CC[NH+](C)C)CC2)C1 ZINC000061653421 526238511 /nfs/dbraw/zinc/23/85/11/526238511.db2.gz UKJFHXFOXARFGV-HUUCEWRRSA-N 2 0 281.444 1.171 10 0 CDAERP [NH3+]C1(CNC(=O)CC[C@@H]2CC[NH2+]C2)CCCCCC1 ZINC000261894895 527130352 /nfs/dbraw/zinc/13/03/52/527130352.db2.gz ULMLAZCHPCQWBV-CYBMUJFWSA-N 2 0 267.417 1.544 10 0 CDAERP [NH3+][C@@H]1CCC[C@H](CC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000055136262 527357657 /nfs/dbraw/zinc/35/76/57/527357657.db2.gz UHXPTXKBEKDOHW-LSDHHAIUSA-N 2 0 281.444 1.886 10 0 CDAERP [NH3+][C@H]1CCCC[C@H]1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062985526 527396168 /nfs/dbraw/zinc/39/61/68/527396168.db2.gz WCHKXFGKWKRHHD-MJBXVCDLSA-N 2 0 265.401 1.201 10 0 CDAERP OC1(C[N@@H+]2CC[C@H](c3ccccc3)C2)CC[NH2+]CC1 ZINC000051016419 527508866 /nfs/dbraw/zinc/50/88/66/527508866.db2.gz YZCDHQUUKJYUKP-HNNXBMFYSA-N 2 0 260.381 1.590 10 0 CDAERP CCN1CCCC[C@@H]1C[NH2+][C@@H](CCC[NH3+])COC ZINC000422906096 535491079 /nfs/dbraw/zinc/49/10/79/535491079.db2.gz JCBYSJFJQPETRR-UONOGXRCSA-N 2 0 257.422 1.204 10 0 CDAERP C[NH2+]C[C@@H]1CCCN1C(=O)NCC1([NH3+])CCCCCC1 ZINC000418286873 536455624 /nfs/dbraw/zinc/45/56/24/536455624.db2.gz SGRGNOHNYHANEJ-ZDUSSCGKSA-N 2 0 282.432 1.432 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000234726732 536596291 /nfs/dbraw/zinc/59/62/91/536596291.db2.gz ZYPOBAQYCUABPC-UONOGXRCSA-N 3 0 257.422 1.062 10 0 CDAERP COc1cc(C[NH2+]C[C@H]2CCC[NH2+]C2)cc2c1OCCO2 ZINC000414834032 536800464 /nfs/dbraw/zinc/80/04/64/536800464.db2.gz SJCDLIYVSQCKJD-LBPRGKRZSA-N 2 0 292.379 1.556 10 0 CDAERP Cc1nn(C)c2sc([C@H]3C[NH2+]CC[C@H]3[NH3+])cc12 ZINC000757215887 574907766 /nfs/dbraw/zinc/90/77/66/574907766.db2.gz OJELUPQABGHRJM-VHSXEESVSA-N 2 0 250.371 1.347 10 0 CDAERP C[C@H](CO)C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000769447773 576354609 /nfs/dbraw/zinc/35/46/09/576354609.db2.gz XRTZEKPMFHMTFV-ZDUSSCGKSA-N 2 0 250.386 1.808 10 0 CDAERP C[C@@H]([NH2+]CC1(C)OCCCO1)C1CC[NH+](C)CC1 ZINC000754125151 576881544 /nfs/dbraw/zinc/88/15/44/576881544.db2.gz WWDRIVLTEIJQNA-GFCCVEGCSA-N 2 0 256.390 1.459 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCCF)C2)C1 ZINC001690285704 1175425219 /nfs/dbraw/zinc/42/52/19/1175425219.db2.gz CSLOWGSKHHJQRT-RBSFLKMASA-N 2 0 299.434 1.705 10 0 CDAERP CC[NH+]1CCC(N[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925517732 617427379 /nfs/dbraw/zinc/42/73/79/617427379.db2.gz YNOCERGPMWKLLB-TZMCWYRMSA-N 2 0 253.434 1.966 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000926710802 617463621 /nfs/dbraw/zinc/46/36/21/617463621.db2.gz CVZNQCQJHJIUEA-IZXDZPFWSA-N 2 0 250.386 1.220 10 0 CDAERP Cc1noc(CCC[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)n1 ZINC000925592558 617538780 /nfs/dbraw/zinc/53/87/80/617538780.db2.gz IQLZAYLWTHWESD-VXGBXAGGSA-N 2 0 266.389 1.806 10 0 CDAERP C[C@H](Cc1ccccn1)[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000926779609 617561453 /nfs/dbraw/zinc/56/14/53/617561453.db2.gz XQTZCLKRDUJRCY-HIFRSBDPSA-N 2 0 277.412 1.447 10 0 CDAERP Cc1ccccc1C[C@H](CO)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925643741 617586868 /nfs/dbraw/zinc/58/68/68/617586868.db2.gz HAWOLRYKYWWANF-PMPSAXMXSA-N 2 0 274.408 1.758 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H](c1ccccn1)C1CC1 ZINC000925822807 617795542 /nfs/dbraw/zinc/79/55/42/617795542.db2.gz OMEMDOXSKNQUNG-ZFWWWQNUSA-N 2 0 263.385 1.876 10 0 CDAERP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)C(=O)N1CCCC1 ZINC000925654448 617596812 /nfs/dbraw/zinc/59/68/12/617596812.db2.gz MNDZOXWWOZJJSX-YNEHKIRRSA-N 2 0 267.417 1.493 10 0 CDAERP C[NH+](C)CCOCC[NH2+][C@H]1CCC[C@H]1Cc1ccccn1 ZINC000926252495 617630046 /nfs/dbraw/zinc/63/00/46/617630046.db2.gz FEKSIBXWRCMKAK-RDJZCZTQSA-N 2 0 291.439 1.961 10 0 CDAERP COC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)[C@@H]1CCCOC1 ZINC000925777508 617675320 /nfs/dbraw/zinc/67/53/20/617675320.db2.gz FECXNJXOKUOERK-BARDWOONSA-N 2 0 284.444 1.924 10 0 CDAERP C(C[NH2+]C1CC1)N[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925691847 617697931 /nfs/dbraw/zinc/69/79/31/617697931.db2.gz KDTJJDKKVCEDMY-HUUCEWRRSA-N 2 0 251.418 1.496 10 0 CDAERP C(C[NH2+]C1CC1)N[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925691842 617698100 /nfs/dbraw/zinc/69/81/00/617698100.db2.gz KDTJJDKKVCEDMY-CABCVRRESA-N 2 0 251.418 1.496 10 0 CDAERP CCCC[C@@H](C[NH3+])N[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925700953 617748849 /nfs/dbraw/zinc/74/88/49/617748849.db2.gz XSJHAQGNUSVOMZ-CRWXNKLISA-N 2 0 253.434 1.870 10 0 CDAERP CCc1cccnc1[C@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925813165 617759520 /nfs/dbraw/zinc/75/95/20/617759520.db2.gz RTWMXYVEDXBOOC-ZDUSSCGKSA-N 2 0 276.428 1.718 10 0 CDAERP CC1(C)[C@H]([NH2+][C@H]2CC[C@@H](C[NH3+])C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925705152 617784327 /nfs/dbraw/zinc/78/43/27/617784327.db2.gz HZLPYVSYXZBXSJ-XHJNMGKDSA-N 3 0 251.418 1.480 10 0 CDAERP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3C[C@H]4CCC[C@H]4O3)C[C@@H]2C1 ZINC000931443228 617842518 /nfs/dbraw/zinc/84/25/18/617842518.db2.gz ULBFQUQHRPNKMA-RBGFHDKUSA-N 2 0 264.413 1.828 10 0 CDAERP O=C1C[C@H](CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CN1 ZINC000925837500 617867895 /nfs/dbraw/zinc/86/78/95/617867895.db2.gz FZHQFHPKXSQWAO-BYNSBNAKSA-N 2 0 279.428 1.413 10 0 CDAERP C[C@H]1CC[C@H]([NH2+]CCCCCN2CC[NH2+]CC2)C1 ZINC000925843297 617875678 /nfs/dbraw/zinc/87/56/78/617875678.db2.gz DRTUDUSHOOJEAO-GJZGRUSLSA-N 2 0 253.434 1.840 10 0 CDAERP C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)C1CCOCC1 ZINC000925849416 617886928 /nfs/dbraw/zinc/88/69/28/617886928.db2.gz CQODBMQJOCVZGT-GXTWGEPZSA-N 2 0 296.411 1.076 10 0 CDAERP CC(C)C[C@@H](C)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925850911 617886932 /nfs/dbraw/zinc/88/69/32/617886932.db2.gz ABYJIZDKLZPPNI-CHWSQXEVSA-N 2 0 268.401 1.696 10 0 CDAERP CC1(C)[C@H]([NH2+]CC2(C(N)=O)CCCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925504436 618170485 /nfs/dbraw/zinc/17/04/85/618170485.db2.gz RDTIPWWZGPXAOL-FRRDWIJNSA-N 2 0 279.428 1.398 10 0 CDAERP C[C@H]1CN(CCC[NH2+]C2CC2)CCN1c1cc[nH+]cc1 ZINC000923424199 618329360 /nfs/dbraw/zinc/32/93/60/618329360.db2.gz OZSUBCLXMQNUED-AWEZNQCLSA-N 2 0 274.412 1.734 10 0 CDAERP C[N@@H+]1CC[C@@H]1CNC(=O)C[C@@H](n1ccnc1)C(F)(F)F ZINC000928552176 619350996 /nfs/dbraw/zinc/35/09/96/619350996.db2.gz INUIAXWRNBFUQK-NXEZZACHSA-N 2 0 290.289 1.197 10 0 CDAERP C[C@H]1C[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000896624666 620165359 /nfs/dbraw/zinc/16/53/59/620165359.db2.gz WQFMDBBRCPXHRH-XQQFMLRXSA-N 2 0 253.390 1.022 10 0 CDAERP C[C@H]1[C@H](NC(=O)NCCC[NH2+]C2CCCCC2)CC[N@@H+]1C ZINC000925305691 620970608 /nfs/dbraw/zinc/97/06/08/620970608.db2.gz DNXWDNMSTQRMTQ-DZGCQCFKSA-N 2 0 296.459 1.691 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)C1CC1 ZINC000900367637 622930716 /nfs/dbraw/zinc/93/07/16/622930716.db2.gz SHPBQRUPOPIEEO-UONOGXRCSA-N 2 0 265.401 1.214 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900696285 623355443 /nfs/dbraw/zinc/35/54/43/623355443.db2.gz YPMCRPUDCYPOHJ-MCIONIFRSA-N 2 0 267.417 1.460 10 0 CDAERP COc1cc(CN(C)C[C@@H]2C[NH2+]C[C@H]2C)cc(OC)c1 ZINC000903431087 625989817 /nfs/dbraw/zinc/98/98/17/625989817.db2.gz MDZINZKDLMWWPU-OCCSQVGLSA-N 2 0 278.396 1.991 10 0 CDAERP CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903432667 625990358 /nfs/dbraw/zinc/99/03/58/625990358.db2.gz JRSCJFHMKHXOIU-WCVJEAGWSA-N 2 0 295.471 1.859 10 0 CDAERP CCC[C@@]1(C)C(=O)NCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903457667 625994035 /nfs/dbraw/zinc/99/40/35/625994035.db2.gz YWBXXLHOGXHHAZ-DYEKYZERSA-N 2 0 253.390 1.104 10 0 CDAERP CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903458872 625994415 /nfs/dbraw/zinc/99/44/15/625994415.db2.gz MESVMVVOHMEJOQ-KBXIAJHMSA-N 2 0 297.443 1.689 10 0 CDAERP NC[C@H]1c2ccccc2CC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903460425 625995316 /nfs/dbraw/zinc/99/53/16/625995316.db2.gz BQPFNSFBRKOTEW-INWMFGNUSA-N 2 0 259.397 1.672 10 0 CDAERP Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cn1 ZINC000903463650 625996264 /nfs/dbraw/zinc/99/62/64/625996264.db2.gz HTYVYYJYPXMYFV-SYAUCNOPSA-N 2 0 276.428 1.848 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H]1C ZINC000903444602 625998028 /nfs/dbraw/zinc/99/80/28/625998028.db2.gz SHNYFNOTQCOOOM-LJISPDSOSA-N 3 0 253.434 1.918 10 0 CDAERP Cc1nnc([C@H]2CCC[N@H+](C[C@@H]3CC[C@H]([NH3+])C3)C2)[nH]1 ZINC000903444930 625998700 /nfs/dbraw/zinc/99/87/00/625998700.db2.gz FJTIHFAXMCJPQB-AGIUHOORSA-N 2 0 263.389 1.420 10 0 CDAERP C(CC1CC[NH2+]CC1)[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903484413 626007496 /nfs/dbraw/zinc/00/74/96/626007496.db2.gz QTIKCDCBVCYSRD-CQSZACIVSA-N 3 0 251.418 1.640 10 0 CDAERP C[C@@H]1C[N@H+](C[C@@H]2CC3(CCC3)CO2)C[C@H]1CC[NH3+] ZINC000903499564 626009082 /nfs/dbraw/zinc/00/90/82/626009082.db2.gz WIOZMNYEGXLCAZ-MCIONIFRSA-N 2 0 252.402 1.862 10 0 CDAERP COC(=O)c1ccc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)s1 ZINC000903500153 626009279 /nfs/dbraw/zinc/00/92/79/626009279.db2.gz UFEOJDTWYZSODB-GHMZBOCLSA-N 2 0 282.409 1.951 10 0 CDAERP C[C@H](C(=O)Nc1nccs1)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903497054 626012007 /nfs/dbraw/zinc/01/20/07/626012007.db2.gz OQZBQUKFELCNOB-GMTAPVOTSA-N 2 0 282.413 1.387 10 0 CDAERP CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](CC[C@H]3CCC[NH2+]C3)C[C@@H]21 ZINC000903563723 626020156 /nfs/dbraw/zinc/02/01/56/626020156.db2.gz KHLJDKQULGCWBT-APIJFGDWSA-N 2 0 280.412 1.507 10 0 CDAERP CCC[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)CC1CC1 ZINC000903873333 626127286 /nfs/dbraw/zinc/12/72/86/626127286.db2.gz HDSKMLNQECOQMX-AWEZNQCLSA-N 2 0 277.416 1.825 10 0 CDAERP Cn1cc(C(C)(C)[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC000903899232 626138167 /nfs/dbraw/zinc/13/81/67/626138167.db2.gz RFOKTEYRZWRGMH-QXMXGUDHSA-N 2 0 262.401 1.775 10 0 CDAERP CC[C@]1(CO)CCC[N@@H+]1C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903909534 626143300 /nfs/dbraw/zinc/14/33/00/626143300.db2.gz VYNCBHFPYUQKKX-GOEBONIOSA-N 2 0 294.443 1.083 10 0 CDAERP Cc1noc(C)c1C[NH2+]C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903920467 626147059 /nfs/dbraw/zinc/14/70/59/626147059.db2.gz JYLQWXYHHCEJKK-CYBMUJFWSA-N 2 0 291.399 1.241 10 0 CDAERP c1cn(-c2ncccc2C[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC000903923568 626148084 /nfs/dbraw/zinc/14/80/84/626148084.db2.gz XHECMJWWEOSWNY-VHRNVKJDSA-N 2 0 297.406 1.888 10 0 CDAERP COC[C@@H](CC(C)C)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903958183 626158465 /nfs/dbraw/zinc/15/84/65/626158465.db2.gz WWGLDIMRNKNNOV-NWDGAFQWSA-N 2 0 264.360 1.882 10 0 CDAERP COC[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCCOC1 ZINC000903959521 626159580 /nfs/dbraw/zinc/15/95/80/626159580.db2.gz JHIJPSAXDGMOFM-PSAQHYCVSA-N 2 0 282.428 1.548 10 0 CDAERP COC(=O)c1ccc(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)[nH]1 ZINC000903973490 626168569 /nfs/dbraw/zinc/16/85/69/626168569.db2.gz DXDLRWOBEKISPL-GHMZBOCLSA-N 2 0 265.357 1.137 10 0 CDAERP COCCOc1cccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903964929 626171820 /nfs/dbraw/zinc/17/18/20/626171820.db2.gz UQHZNTWNLKOOJM-HIFRSBDPSA-N 2 0 278.396 1.657 10 0 CDAERP [NH3+]Cc1cc(-c2nc(CC3CC[NH2+]CC3)no2)co1 ZINC000905313221 626743552 /nfs/dbraw/zinc/74/35/52/626743552.db2.gz IFQFYFPZUDTXHC-UHFFFAOYSA-N 2 0 262.313 1.330 10 0 CDAERP F[C@H](c1nc(CC2CC[NH2+]CC2)no1)[C@@H]1CC[NH2+]C1 ZINC000905309617 626758693 /nfs/dbraw/zinc/75/86/93/626758693.db2.gz ZNOBKLONMVAZFU-PWSUYJOCSA-N 2 0 268.336 1.232 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]3C[NH+](C)C[C@H]32)C1 ZINC000908345401 628146150 /nfs/dbraw/zinc/14/61/50/628146150.db2.gz CMOKWWDBWPQLRK-SOUVJXGZSA-N 2 0 279.428 1.271 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000909260877 628595044 /nfs/dbraw/zinc/59/50/44/628595044.db2.gz CODHHPQNLMKJDI-ZDUSSCGKSA-N 2 0 265.401 1.025 10 0 CDAERP O=C(NC1CC[NH+](C2CCC2)CC1)C12CC[NH+](CC1)C2 ZINC000909285101 628612834 /nfs/dbraw/zinc/61/28/34/628612834.db2.gz KGTLCIPWJZQJNY-UHFFFAOYSA-N 2 0 277.412 1.215 10 0 CDAERP CC[C@@H](C(=O)N[C@]1(C)C[NH+]2CCC1CC2)[NH+](CC)CC ZINC000912377925 629950620 /nfs/dbraw/zinc/95/06/20/629950620.db2.gz HAUQULTZMRETPY-GOEBONIOSA-N 2 0 281.444 1.707 10 0 CDAERP O=C(N1CC[C@H]([NH+]2CCC2)C1)C12CCC[NH+](CCC1)C2 ZINC000912901686 630293565 /nfs/dbraw/zinc/29/35/65/630293565.db2.gz BSSYTWJMUMQZKF-AWEZNQCLSA-N 2 0 277.412 1.169 10 0 CDAERP CC[C@@H](C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C)[NH+](C)C ZINC000913814246 630800827 /nfs/dbraw/zinc/80/08/27/630800827.db2.gz RJUZSOARNPIAGE-AVGNSLFASA-N 2 0 253.390 1.022 10 0 CDAERP CC[NH+](CC)CCCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000913852079 630839662 /nfs/dbraw/zinc/83/96/62/630839662.db2.gz FBCCJEHQXWAFJL-CHWSQXEVSA-N 2 0 270.421 1.110 10 0 CDAERP C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)C[NH+](C)C ZINC000914444372 631482152 /nfs/dbraw/zinc/48/21/52/631482152.db2.gz UDRSRGHUAVHHPG-OLZOCXBDSA-N 2 0 255.406 1.269 10 0 CDAERP CCC[NH+](CCC)CCCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000916554184 632013474 /nfs/dbraw/zinc/01/34/74/632013474.db2.gz FGLHUVLEDWBSRS-LSDHHAIUSA-N 2 0 298.475 1.890 10 0 CDAERP CCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC000920506262 632798317 /nfs/dbraw/zinc/79/83/17/632798317.db2.gz GKCQAVRUIVIXDU-JSGCOSHPSA-N 2 0 282.432 1.253 10 0 CDAERP CCC[NH+]1CCC(C[NH2+]Cc2cnc3n2CCOC3)CC1 ZINC000921686360 633175598 /nfs/dbraw/zinc/17/55/98/633175598.db2.gz IWVZQMRGUXIWAU-UHFFFAOYSA-N 2 0 292.427 1.625 10 0 CDAERP Cc1cnc(Cl)c(C[NH2+]CC2(O)CC[NH+](C)CC2)c1 ZINC000921771303 633284832 /nfs/dbraw/zinc/28/48/32/633284832.db2.gz VTDQMJKJQDJFCG-UHFFFAOYSA-N 2 0 283.803 1.590 10 0 CDAERP CC[N@H+](C)CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001690988347 1158516310 /nfs/dbraw/zinc/51/63/10/1158516310.db2.gz GZBRPGGKEWCNQN-QWHCGFSZSA-N 2 0 255.406 1.175 10 0 CDAERP CC[N@H+](C)C[C@H]1CC[NH+](CC23CC(C)(C2)OC3)C1 ZINC001652640253 1158593731 /nfs/dbraw/zinc/59/37/31/1158593731.db2.gz LHXWBPBITAKONU-WLYUNCDWSA-N 2 0 252.402 1.829 10 0 CDAERP CCC[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001266724112 1158789909 /nfs/dbraw/zinc/78/99/09/1158789909.db2.gz DKNDZXWHODCLHA-OAHLLOKOSA-N 2 0 281.444 1.851 10 0 CDAERP CN(CC[NH2+]C[C@H]1CCCCO1)C(=O)C1([NH+](C)C)CCC1 ZINC001266724418 1158790623 /nfs/dbraw/zinc/79/06/23/1158790623.db2.gz NSOCAJMNUQZKLG-CQSZACIVSA-N 2 0 297.443 1.088 10 0 CDAERP CCCC[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001698827133 1159057405 /nfs/dbraw/zinc/05/74/05/1159057405.db2.gz BRFYNFJUBODJAU-ZDUSSCGKSA-N 2 0 269.433 1.707 10 0 CDAERP COCC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001690336591 1175442235 /nfs/dbraw/zinc/44/22/35/1175442235.db2.gz LCHBCXUMQCZSOZ-OKILXGFUSA-N 2 0 297.443 1.134 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001691417214 1159065154 /nfs/dbraw/zinc/06/51/54/1159065154.db2.gz UVXMJJLWKQPMPD-HNNXBMFYSA-N 2 0 297.443 1.042 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]CC1CC1 ZINC001481236053 1159587689 /nfs/dbraw/zinc/58/76/89/1159587689.db2.gz IMOXJPXARKCBJM-CQSZACIVSA-N 2 0 267.417 1.319 10 0 CDAERP CCCC[NH2+][C@@H](CC)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001267819510 1159605911 /nfs/dbraw/zinc/60/59/11/1159605911.db2.gz DVTJWRDRPKISCW-KGLIPLIRSA-N 2 0 269.433 1.613 10 0 CDAERP CCCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001481751574 1159931295 /nfs/dbraw/zinc/93/12/95/1159931295.db2.gz KZMNDGWVAGPCQQ-CABCVRRESA-N 2 0 281.444 1.661 10 0 CDAERP CC[C@H](C(=O)N[C@H](C[NH2+]C(C)C)C1CC1)[NH+](C)C ZINC001269083489 1160029463 /nfs/dbraw/zinc/02/94/63/1160029463.db2.gz DTNGOORAAAUSRB-CHWSQXEVSA-N 2 0 255.406 1.219 10 0 CDAERP CC[C@H](C(=O)NCC1([NH2+]CCC(C)C)CC1)[NH+](C)C ZINC001670808099 1160171810 /nfs/dbraw/zinc/17/18/10/1160171810.db2.gz VTSBYBMWUGUTLO-CYBMUJFWSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001410304256 1161919307 /nfs/dbraw/zinc/91/93/07/1161919307.db2.gz GEGJCFDHNGXJPP-HIFRSBDPSA-N 2 0 281.444 1.563 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001623983090 1165810825 /nfs/dbraw/zinc/81/08/25/1165810825.db2.gz PWPSAMZOUNZLKD-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CC[NH+](CC)C1CCN(C(=O)[C@@H]2CC[N@@H+]2CC)CC1 ZINC001632852157 1166380095 /nfs/dbraw/zinc/38/00/95/1166380095.db2.gz CATWEGNSDLYBSH-AWEZNQCLSA-N 2 0 267.417 1.413 10 0 CDAERP CC[C@@H](C)C[NH+]1CC(N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001671182875 1166843272 /nfs/dbraw/zinc/84/32/72/1166843272.db2.gz GKBWATZYMVJWFQ-CYBMUJFWSA-N 2 0 269.433 1.517 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC23CC[NH+](CC2)C3)C1 ZINC001643505673 1167254620 /nfs/dbraw/zinc/25/46/20/1167254620.db2.gz YSGBGRHXBUNVQD-CHWSQXEVSA-N 2 0 265.401 1.071 10 0 CDAERP [NH3+][C@@H]1CN(C(=O)[C@@H]2CCCC[C@@H]2[NH3+])C[C@H]1c1ccccc1 ZINC001645879110 1167548166 /nfs/dbraw/zinc/54/81/66/1167548166.db2.gz FEBDIMKFLXCVHO-FXUDXRNXSA-N 2 0 287.407 1.457 10 0 CDAERP C[C@@H](C(=O)NCCC[N@H+](C)CCF)[NH+]1CCCCCC1 ZINC001566498102 1168309679 /nfs/dbraw/zinc/30/96/79/1168309679.db2.gz UHIDELQWIDMILT-AWEZNQCLSA-N 2 0 287.423 1.659 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001566833753 1168437389 /nfs/dbraw/zinc/43/73/89/1168437389.db2.gz VAPOIKHTHQXDED-MJBXVCDLSA-N 2 0 265.401 1.284 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001567128902 1168586485 /nfs/dbraw/zinc/58/64/85/1168586485.db2.gz XIOWRUNAMJSLNQ-KBPBESRZSA-N 2 0 299.434 1.657 10 0 CDAERP C(C1CCOCC1)[C@H]1COCCN1C[C@@H]1CCC[NH2+]C1 ZINC001647548695 1168808419 /nfs/dbraw/zinc/80/84/19/1168808419.db2.gz WPYBBNBEWRECOF-CVEARBPZSA-N 2 0 282.428 1.504 10 0 CDAERP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H]2CCCC[C@@H]2[NH3+])C1 ZINC001649857043 1169438885 /nfs/dbraw/zinc/43/88/85/1169438885.db2.gz CQIDSWIMWGTMBK-KKUMJFAQSA-N 2 0 281.444 1.694 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC1CC(C)(C)C1 ZINC001568826452 1169499943 /nfs/dbraw/zinc/49/99/43/1169499943.db2.gz BVQJAYLYGPVHPL-RGDDUWESSA-N 2 0 293.455 1.779 10 0 CDAERP C[N@H+](CC(=O)NC/C=C/C[NH2+]CC1CC1)C1CCC1 ZINC001568864443 1169524782 /nfs/dbraw/zinc/52/47/82/1169524782.db2.gz XVXOEULOIMRHLU-NSCUHMNNSA-N 2 0 265.401 1.143 10 0 CDAERP C[C@H](C[NH2+]CC1=CCCCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001569036801 1169606693 /nfs/dbraw/zinc/60/66/93/1169606693.db2.gz VILDAVAJGTZENM-UKRRQHHQSA-N 2 0 279.428 1.533 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1n1cncn1 ZINC001650036840 1169634689 /nfs/dbraw/zinc/63/46/89/1169634689.db2.gz KZNYTLPROFPVPK-QCODTGAPSA-N 2 0 291.443 1.843 10 0 CDAERP C[C@H](C[N@H+](C)CC1CC1)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001569146259 1169690096 /nfs/dbraw/zinc/69/00/96/1169690096.db2.gz AYLXKNXRCHQXCS-OCCSQVGLSA-N 2 0 267.417 1.175 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+]C/C=C\Cl ZINC001569560362 1169924048 /nfs/dbraw/zinc/92/40/48/1169924048.db2.gz CNPBOSVPZSIVDS-UJZCVKTISA-N 2 0 287.835 1.661 10 0 CDAERP CCCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001571484276 1170449796 /nfs/dbraw/zinc/44/97/96/1170449796.db2.gz CHLHQNHDRUQXEY-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP c1nn2ccccc2c1C[NH2+]CCCC[NH+]1CCOCC1 ZINC001655305043 1171684770 /nfs/dbraw/zinc/68/47/70/1171684770.db2.gz PNPZNVADWGUJJO-UHFFFAOYSA-N 2 0 288.395 1.536 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]CC=C(C)C)CC[N@@H+]1C ZINC001662225657 1172511772 /nfs/dbraw/zinc/51/17/72/1172511772.db2.gz VDEZTKDCCKQAAY-QLFBSQMISA-N 2 0 281.444 1.777 10 0 CDAERP CCCC[NH2+]C[C@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001671318692 1173676493 /nfs/dbraw/zinc/67/64/93/1173676493.db2.gz MMCQKOMZUFNJKP-OAHLLOKOSA-N 2 0 293.455 1.996 10 0 CDAERP CC(C)=CC[NH+]1CC([C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001675359775 1174106135 /nfs/dbraw/zinc/10/61/35/1174106135.db2.gz LRTOTSJZIWIUBE-GDBMZVCRSA-N 2 0 295.471 1.975 10 0 CDAERP CCCCC[N@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001677632678 1174378880 /nfs/dbraw/zinc/37/88/80/1174378880.db2.gz SCVAKTXJKIWSJH-INIZCTEOSA-N 2 0 293.455 1.877 10 0 CDAERP CC(C)CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001690433769 1175470847 /nfs/dbraw/zinc/47/08/47/1175470847.db2.gz ISVZPVQEWDFLOA-HOTGVXAUSA-N 2 0 295.471 1.812 10 0 CDAERP C[C@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH2+]CCCO ZINC001690595794 1175517092 /nfs/dbraw/zinc/51/70/92/1175517092.db2.gz GBAKMJQFTCCGQH-CYBMUJFWSA-N 2 0 299.459 1.116 10 0 CDAERP CC(C)CC[NH2+][C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001690648903 1175535343 /nfs/dbraw/zinc/53/53/43/1175535343.db2.gz MDIUVYAHGZNNIA-CYBMUJFWSA-N 2 0 255.406 1.223 10 0 CDAERP O=C(N1CC[C@@H](C[NH2+]CCCF)C1)C12CCC[NH+]1CCC2 ZINC001690721455 1175555810 /nfs/dbraw/zinc/55/58/10/1175555810.db2.gz KBBQZIZSWASLHA-AWEZNQCLSA-N 2 0 297.418 1.413 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001691909401 1175650328 /nfs/dbraw/zinc/65/03/28/1175650328.db2.gz WNLWWFUISLDJTH-CQSZACIVSA-N 2 0 269.433 1.422 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001698551910 1175835481 /nfs/dbraw/zinc/83/54/81/1175835481.db2.gz FGCXYUNSZHCZTQ-MGPQQGTHSA-N 2 0 269.433 1.563 10 0 CDAERP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1C[NH2+]CCC1CC1 ZINC001698950513 1175994326 /nfs/dbraw/zinc/99/43/26/1175994326.db2.gz TWKHVJQWPCAKCO-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](F)CC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001699262835 1176185930 /nfs/dbraw/zinc/18/59/30/1176185930.db2.gz VNUXKOIJZCHIRJ-TUCADOHPSA-N 2 0 285.407 1.337 10 0 CDAERP CC(C)CC[NH2+]C/C=C/CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001699333968 1176247051 /nfs/dbraw/zinc/24/70/51/1176247051.db2.gz CLLYDSSSOYKDCN-RGDDUWESSA-N 2 0 281.444 1.636 10 0 CDAERP CC(C)OCC[NH2+]C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001699423174 1176387058 /nfs/dbraw/zinc/38/70/58/1176387058.db2.gz KIBFYXUNPXUXEE-AWEZNQCLSA-N 2 0 299.459 1.238 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CCOC(C)C ZINC001699433675 1176395448 /nfs/dbraw/zinc/39/54/48/1176395448.db2.gz XSTSISCUQSWFGV-LSDHHAIUSA-N 2 0 299.459 1.380 10 0 CDAERP C[C@H](C(=O)NCC1([NH2+]CCCF)CC1)[NH+]1CCCCCC1 ZINC001699664327 1176559449 /nfs/dbraw/zinc/55/94/49/1176559449.db2.gz DVWRJMWKTFSTDX-CQSZACIVSA-N 2 0 299.434 1.849 10 0 CDAERP CC(C)=CC[NH2+]C1(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001699669198 1176562323 /nfs/dbraw/zinc/56/23/23/1176562323.db2.gz AVCAPGGNEMJNQW-INIZCTEOSA-N 2 0 291.439 1.677 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H]1C[NH2+]CCCF ZINC001699749222 1176606710 /nfs/dbraw/zinc/60/67/10/1176606710.db2.gz GRWXHLIOGJXPSE-GJZGRUSLSA-N 2 0 299.434 1.801 10 0 CDAERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C[NH2+]CCF ZINC001699974096 1176703965 /nfs/dbraw/zinc/70/39/65/1176703965.db2.gz YEAXHCVAFWGTOZ-KBPBESRZSA-N 2 0 287.423 1.372 10 0 CDAERP CCOCC[NH2+][C@@H](C)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001700419692 1176918701 /nfs/dbraw/zinc/91/87/01/1176918701.db2.gz WUZQXFHPWFNNIE-KBPBESRZSA-N 2 0 299.459 1.238 10 0 CDAERP CC/C=C/CC[NH2+][C@H](C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001700429624 1176924877 /nfs/dbraw/zinc/92/48/77/1176924877.db2.gz ZFWWORXNXFDCNW-MUHKLVGJSA-N 2 0 293.455 1.921 10 0 CDAERP CC/C=C\CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001700469998 1176960262 /nfs/dbraw/zinc/96/02/62/1176960262.db2.gz JIAJNPXCOVWUKP-YOVCOIKASA-N 2 0 281.444 1.873 10 0 CDAERP O=C(N[C@H]1C[C@H](C[NH2+]CCF)C1)C12CCC[NH+]1CCC2 ZINC001700633583 1177046744 /nfs/dbraw/zinc/04/67/44/1177046744.db2.gz FKJVQVHLYPUVQG-JOCQHMNTSA-N 2 0 283.391 1.069 10 0 CDAERP CC(C)[NH2+]CCC[C@@H](C)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001700689667 1177076851 /nfs/dbraw/zinc/07/68/51/1177076851.db2.gz XEDBYAAEWIZLMJ-HUUCEWRRSA-N 2 0 299.459 1.238 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]CCCF)C1 ZINC001700902633 1177189375 /nfs/dbraw/zinc/18/93/75/1177189375.db2.gz QLHVUFZTRBIZJT-STQMWFEESA-N 2 0 273.396 1.172 10 0 CDAERP CC[N@@H+]1CC[C@@H](CNCc2ccc(O)c(F)c2)C1 ZINC000232422214 1178191365 /nfs/dbraw/zinc/19/13/65/1178191365.db2.gz VTVOQULCBYJPGZ-LBPRGKRZSA-N 2 0 252.333 1.963 10 0 CDAERP CCC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001713310550 1178489119 /nfs/dbraw/zinc/48/91/19/1178489119.db2.gz WWYPWDCWYZHKBD-CHWSQXEVSA-N 2 0 255.406 1.364 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]CC2CC(C)(C)C2)C1 ZINC001713634221 1178689744 /nfs/dbraw/zinc/68/97/44/1178689744.db2.gz LRAQXSTUPDWCSF-AWEZNQCLSA-N 2 0 295.471 1.812 10 0 CDAERP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001714110808 1178978241 /nfs/dbraw/zinc/97/82/41/1178978241.db2.gz LTTUHBJWFCENIE-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N[C@@](C)(C[NH2+]C/C=C\Cl)C2CC2)C1 ZINC001714175831 1179003144 /nfs/dbraw/zinc/00/31/44/1179003144.db2.gz AIKLIQAFAPMFOG-APQFZBCISA-N 2 0 299.846 1.565 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C[NH+](C)C1CCC1 ZINC001714520201 1179178697 /nfs/dbraw/zinc/17/86/97/1179178697.db2.gz KSHMKIUHGXZMII-HNNXBMFYSA-N 2 0 281.444 1.851 10 0 CDAERP CCC[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001714781966 1179394539 /nfs/dbraw/zinc/39/45/39/1179394539.db2.gz ZAYYFMLMUUCCKW-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP CN(CC[NH2+]CCC1CCCC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001714781991 1179395470 /nfs/dbraw/zinc/39/54/70/1179395470.db2.gz ZZZIDHJYWNNGMG-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+]CCF)CC1 ZINC001714803232 1179404979 /nfs/dbraw/zinc/40/49/79/1179404979.db2.gz UHEFUUOVCULMSR-ZDUSSCGKSA-N 2 0 287.423 1.513 10 0 CDAERP CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001714880486 1179435221 /nfs/dbraw/zinc/43/52/21/1179435221.db2.gz LVDNYCXZCWSTAO-STQMWFEESA-N 2 0 255.406 1.317 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001715367710 1179645215 /nfs/dbraw/zinc/64/52/15/1179645215.db2.gz XOFWIYBWPPDAHS-LSDHHAIUSA-N 2 0 281.444 1.731 10 0 CDAERP O=C(CCn1ccnc1)N1CCCC[C@H]1CC[NH2+]CCF ZINC001715447772 1179668795 /nfs/dbraw/zinc/66/87/95/1179668795.db2.gz XXKALNAQKKGBCM-AWEZNQCLSA-N 2 0 296.390 1.604 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CCCF ZINC001715551425 1179713041 /nfs/dbraw/zinc/71/30/41/1179713041.db2.gz CZSXRNDMJIGFPI-OLZOCXBDSA-N 2 0 273.396 1.172 10 0 CDAERP C[C@@H](CC[NH2+]CC1CCC1)NC(=O)CC[NH+](C)C ZINC001715682342 1179763652 /nfs/dbraw/zinc/76/36/52/1179763652.db2.gz YLDACIJFAKWNRX-LBPRGKRZSA-N 2 0 255.406 1.223 10 0 CDAERP CC(C)CC[NH2+]C/C=C/CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001715817372 1179842508 /nfs/dbraw/zinc/84/25/08/1179842508.db2.gz KWNOBXDWAMMLNX-CWDCEQMOSA-N 2 0 293.455 1.636 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]C/C=C/Cl ZINC001715913124 1179909898 /nfs/dbraw/zinc/90/98/98/1179909898.db2.gz NLUSSWZEXGYUDY-VGZQVZCUSA-N 2 0 299.846 1.875 10 0 CDAERP C[C@H](C[NH2+]C/C=C\Cl)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001715935066 1179927950 /nfs/dbraw/zinc/92/79/50/1179927950.db2.gz FOTMINSYKVMVSY-LLPBQKLSSA-N 2 0 299.846 1.709 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]CCF)[NH+]1CCCC1 ZINC001716009282 1179981744 /nfs/dbraw/zinc/98/17/44/1179981744.db2.gz OKNOSUUSRIAYKP-STQMWFEESA-N 2 0 273.396 1.171 10 0 CDAERP C[C@H](CC[NH2+]CC1CCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001716170866 1180081937 /nfs/dbraw/zinc/08/19/37/1180081937.db2.gz SKFOOTYDZGKWLU-CYBMUJFWSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@H](CC[NH2+]CC1CC(C)(C)C1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001716196573 1180092034 /nfs/dbraw/zinc/09/20/34/1180092034.db2.gz SXHKKAJFNQSJML-HIFRSBDPSA-N 2 0 295.471 1.859 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC1CCC1 ZINC001716377841 1180173715 /nfs/dbraw/zinc/17/37/15/1180173715.db2.gz AZOBXWQUEXSDTN-YIEVGGLXSA-N 2 0 293.455 1.923 10 0 CDAERP CN(CCC[NH2+]CC1CCCC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001716578931 1180291594 /nfs/dbraw/zinc/29/15/94/1180291594.db2.gz HBUWPULKLWCAQP-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP C[N@H+](CC(=O)NCC1([NH2+]CCCF)CC1)C1CCC1 ZINC001716684858 1180368794 /nfs/dbraw/zinc/36/87/94/1180368794.db2.gz FIFKBNPMEDELHM-UHFFFAOYSA-N 2 0 271.380 1.069 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](CC[NH2+]CC3CC3)C2)C1 ZINC001717098816 1180530302 /nfs/dbraw/zinc/53/03/02/1180530302.db2.gz IUGGDOOVUZWSDB-GDBMZVCRSA-N 2 0 293.455 1.566 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCF)C2)CC[N@@H+]1C ZINC001717641121 1180769536 /nfs/dbraw/zinc/76/95/36/1180769536.db2.gz WZNQZSLWUNCBQA-XDQVBPFNSA-N 2 0 285.407 1.171 10 0 CDAERP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H](C[NH2+]CCF)C1CC1 ZINC001717732619 1180814865 /nfs/dbraw/zinc/81/48/65/1180814865.db2.gz PUFWJNAQSYKFAQ-KBPBESRZSA-N 2 0 285.407 1.267 10 0 CDAERP CC[C@H](F)C[N@H+]1CC=C(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001718033127 1180977119 /nfs/dbraw/zinc/97/71/19/1180977119.db2.gz ZUMXQOHBOMVCAX-HNNXBMFYSA-N 2 0 297.418 1.579 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001723553157 1181585951 /nfs/dbraw/zinc/58/59/51/1181585951.db2.gz YJELNZRUWRJRQF-KBPBESRZSA-N 2 0 281.444 1.755 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CCF)C1 ZINC001724711209 1181731848 /nfs/dbraw/zinc/73/18/48/1181731848.db2.gz FJIFRYBGYSQMGO-CABCVRRESA-N 2 0 299.434 1.659 10 0 CDAERP C[NH+](C)CCCC(=O)NCC1=CC[N@H+](CCC2CC2)CC1 ZINC001725855831 1182146986 /nfs/dbraw/zinc/14/69/86/1182146986.db2.gz GSGDLITYOMYOOX-UHFFFAOYSA-N 2 0 293.455 1.877 10 0 CDAERP C[N@H+](CCF)CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001731269775 1182285298 /nfs/dbraw/zinc/28/52/98/1182285298.db2.gz JGXGQXOZCPRRJD-UHFFFAOYSA-N 2 0 273.396 1.126 10 0 CDAERP CC(C)[N@H+](C)CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001731271214 1182287240 /nfs/dbraw/zinc/28/72/40/1182287240.db2.gz KVJQSMAZOPZHMJ-CABCVRRESA-N 2 0 281.444 1.850 10 0 CDAERP CCCCC[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001731771316 1182564664 /nfs/dbraw/zinc/56/46/64/1182564664.db2.gz PVJJQYCHSNHVKF-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001731860792 1182633368 /nfs/dbraw/zinc/63/33/68/1182633368.db2.gz NWNBEINITZYCMX-SGFLJFKBSA-N 2 0 293.455 1.733 10 0 CDAERP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)C[NH2+]CCCF ZINC001732360304 1182926072 /nfs/dbraw/zinc/92/60/72/1182926072.db2.gz JRBKMNOFINMFFM-AWEZNQCLSA-N 2 0 287.423 1.420 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCCF ZINC001732424475 1182959855 /nfs/dbraw/zinc/95/98/55/1182959855.db2.gz ZSBGJNHHUCQSNX-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@H]1C[NH2+]CCF ZINC001732549189 1183004908 /nfs/dbraw/zinc/00/49/08/1183004908.db2.gz VDUYYYGCODTXET-KGLIPLIRSA-N 2 0 285.407 1.268 10 0 CDAERP C[NH+]1CCC(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CCF)CC1 ZINC001732623311 1183052807 /nfs/dbraw/zinc/05/28/07/1183052807.db2.gz YTPUCRWIMRCRRV-ZIAGYGMSSA-N 2 0 285.407 1.172 10 0 CDAERP CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[N@H+](C)C(C)C ZINC001732626724 1183054738 /nfs/dbraw/zinc/05/47/38/1183054738.db2.gz KLILLGOYMDCVRZ-OLZOCXBDSA-N 2 0 255.406 1.221 10 0 CDAERP CC[C@@H](F)C[NH2+]CC[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001732702934 1183093549 /nfs/dbraw/zinc/09/35/49/1183093549.db2.gz QZWOMLQPSQTOMH-QWHCGFSZSA-N 2 0 287.423 1.703 10 0 CDAERP C[C@H](C[N@H+](C)CCCCCF)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001733065194 1183274088 /nfs/dbraw/zinc/27/40/88/1183274088.db2.gz AYVNVUOVNBXCRH-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP CC[N@@H+]1CC[C@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001733296773 1183381140 /nfs/dbraw/zinc/38/11/40/1183381140.db2.gz JVAOBHYJHURBCS-INIZCTEOSA-N 2 0 281.444 1.663 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@](C)(C[NH2+]CCF)C1 ZINC001733427215 1183430246 /nfs/dbraw/zinc/43/02/46/1183430246.db2.gz OHSVKZWHUUUDIV-GOEBONIOSA-N 2 0 299.434 1.659 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001734219483 1183695537 /nfs/dbraw/zinc/69/55/37/1183695537.db2.gz QBZJBSUQZMWQPU-AJNGGQMLSA-N 2 0 299.434 1.561 10 0 CDAERP CC[NH+](CC)C1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC001771932187 1186964320 /nfs/dbraw/zinc/96/43/20/1186964320.db2.gz OISWJBVIERHNMB-ZFWWWQNUSA-N 2 0 296.459 1.595 10 0 CDAERP [NH3+]CCOc1cccc(NC(=O)CCC23CC(C2)C[NH2+]3)c1 ZINC000870934517 711844996 /nfs/dbraw/zinc/84/49/96/711844996.db2.gz AHSXPPWLBHSIJH-UHFFFAOYSA-N 2 0 289.379 1.495 10 0 CDAERP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000925556828 711852789 /nfs/dbraw/zinc/85/27/89/711852789.db2.gz MOTZLHGTYWMLAR-GMBUGEKQSA-N 2 0 296.455 1.625 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000711384903 711855228 /nfs/dbraw/zinc/85/52/28/711855228.db2.gz ISRVGIQWABFNCP-CYBMUJFWSA-N 2 0 281.444 1.565 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1)C(C)C ZINC000846674209 711865528 /nfs/dbraw/zinc/86/55/28/711865528.db2.gz VGAWDIXCTPVRCG-KBPBESRZSA-N 2 0 267.417 1.364 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H](O)COc1ccccc1 ZINC000924619188 711874468 /nfs/dbraw/zinc/87/44/68/711874468.db2.gz GFNZGYCMGFJNBY-AWVCJSPBSA-N 2 0 290.407 1.356 10 0 CDAERP CCn1cnnc1CC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925571050 711878890 /nfs/dbraw/zinc/87/88/90/711878890.db2.gz DDJQEBHSAREWEN-LSDHHAIUSA-N 2 0 291.443 1.598 10 0 CDAERP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723923541 711906245 /nfs/dbraw/zinc/90/62/45/711906245.db2.gz WJZLBTLMRABCGN-JHJVBQTASA-N 2 0 269.433 1.596 10 0 CDAERP CN(C(=O)CC[NH2+]C(C)(C)C)[C@H]1C[NH+]2CCC1CC2 ZINC000311729465 711917702 /nfs/dbraw/zinc/91/77/02/711917702.db2.gz QETYQNVTYCZJIP-ZDUSSCGKSA-N 2 0 267.417 1.317 10 0 CDAERP CC[C@@H](COC)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925847197 711920135 /nfs/dbraw/zinc/92/01/35/711920135.db2.gz WYCJIZYQCXMWRZ-AWEZNQCLSA-N 2 0 257.422 1.077 10 0 CDAERP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@H](O)C3(O)CCCC3)C2)C1 ZINC000930576578 711924681 /nfs/dbraw/zinc/92/46/81/711924681.db2.gz FLGNZVCLORXBAX-LSDHHAIUSA-N 2 0 282.428 1.070 10 0 CDAERP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000713051736 711928475 /nfs/dbraw/zinc/92/84/75/711928475.db2.gz PFJLDLGEDJSZOU-TZMCWYRMSA-N 2 0 281.444 1.596 10 0 CDAERP CCCCCNC(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923496182 711929192 /nfs/dbraw/zinc/92/91/92/711929192.db2.gz GNKZQDOIHHHRAJ-OLZOCXBDSA-N 2 0 255.406 1.210 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC[N@@H+]1C ZINC000810439881 711935373 /nfs/dbraw/zinc/93/53/73/711935373.db2.gz ZIQHWSGFRIIWNS-IOASZLSFSA-N 2 0 299.434 1.798 10 0 CDAERP C[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)CC[C@@H]1C[NH3+] ZINC000923492390 711948538 /nfs/dbraw/zinc/94/85/38/711948538.db2.gz OCGDLIRDZIBIJG-BMFZPTHFSA-N 2 0 262.397 1.507 10 0 CDAERP Cc1cc([C@@H]([NH3+])CC(=O)N(C)[C@H]2CC[NH2+]C2)cc(Cl)n1 ZINC000841847796 711976321 /nfs/dbraw/zinc/97/63/21/711976321.db2.gz KHZGPGQDUHRABK-RYUDHWBXSA-N 2 0 296.802 1.254 10 0 CDAERP CC[NH+]1CCN([C@H](C)CN[C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925549346 711989466 /nfs/dbraw/zinc/98/94/66/711989466.db2.gz XXJIMHIHBRIMBJ-CVEARBPZSA-N 3 0 294.487 1.277 10 0 CDAERP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc2c(c1)COC2 ZINC000925809063 711995718 /nfs/dbraw/zinc/99/57/18/711995718.db2.gz HTZINPRSTUAPSQ-CYBMUJFWSA-N 2 0 289.423 1.791 10 0 CDAERP COc1ccc([C@H](CO)C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925684719 712000867 /nfs/dbraw/zinc/00/08/67/712000867.db2.gz CNYYCXHTEARLQV-CWRNSKLLSA-N 2 0 290.407 1.631 10 0 CDAERP C[N@@H+]1CCN(C(=O)CCc2ncc[nH]2)CCC1(C)C ZINC000871156715 712004178 /nfs/dbraw/zinc/00/41/78/712004178.db2.gz KDOSRGMGHDKDPE-UHFFFAOYSA-N 2 0 264.373 1.285 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CC[NH2+]CC1CC1 ZINC000717156670 712039347 /nfs/dbraw/zinc/03/93/47/712039347.db2.gz RDFLXGLWPMKJTG-AWEZNQCLSA-N 2 0 267.417 1.319 10 0 CDAERP CN(CC1C[NH+](C)C1)C(=O)NCCCCCCC[NH+](C)C ZINC000853486363 712069826 /nfs/dbraw/zinc/06/98/26/712069826.db2.gz CXTJNYYURPLKEN-UHFFFAOYSA-N 2 0 298.475 1.702 10 0 CDAERP Cc1cc([C@H]([NH3+])CC(=O)NCC[NH2+]C2CC2)cc(Cl)n1 ZINC000841847784 712082006 /nfs/dbraw/zinc/08/20/06/712082006.db2.gz KAGGXLWXZWYWGH-GFCCVEGCSA-N 2 0 296.802 1.302 10 0 CDAERP C[C@H]1CCC[N@H+](CCCCNC(=O)C=C2CC[NH2+]CC2)C1 ZINC000852858626 712084580 /nfs/dbraw/zinc/08/45/80/712084580.db2.gz FJINCPGAWWSMFP-HNNXBMFYSA-N 2 0 293.455 1.925 10 0 CDAERP C[C@@H]([NH2+]CCCCCC1CC[NH2+]CC1)C1C[NH2+]C1 ZINC000925806447 712105829 /nfs/dbraw/zinc/10/58/29/712105829.db2.gz DHKCEIJRBCGMEX-CYBMUJFWSA-N 3 0 253.434 1.744 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000870950420 712119354 /nfs/dbraw/zinc/11/93/54/712119354.db2.gz DXHLVPXTMWNRTF-JYYAWHABSA-N 2 0 291.439 1.352 10 0 CDAERP CC[NH+](CC)[C@@H](CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)CC(C)C ZINC000870903146 712171595 /nfs/dbraw/zinc/17/15/95/712171595.db2.gz SPSIYKKZDWKFJW-DLTWYDFYSA-N 2 0 295.471 1.987 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]CCOC[C@H]2CCCO2)C12CCC2 ZINC000925498338 712181168 /nfs/dbraw/zinc/18/11/68/712181168.db2.gz OPXVSQHYLFLYAZ-UPJWGTAASA-N 2 0 254.374 1.042 10 0 CDAERP C(C[N@H+]1C[C@H]2CCC[C@@H](C1)N2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923365619 712181665 /nfs/dbraw/zinc/18/16/65/712181665.db2.gz XUZPAMVIDOLTSQ-LHIUVBILSA-N 2 0 263.429 1.733 10 0 CDAERP CC1(C)C[C@@H]([NH2+]C[C@@H](CO)[C@H]2CCOC2)C[C@@H]([NH3+])C1 ZINC000925654277 712185657 /nfs/dbraw/zinc/18/56/57/712185657.db2.gz FSKOSZHAXDHZCD-FQUUOJAGSA-N 2 0 270.417 1.127 10 0 CDAERP C[NH+](C)Cc1ccc(NC(=O)CC2([NH3+])CC2)cc1F ZINC000852870934 712200131 /nfs/dbraw/zinc/20/01/31/712200131.db2.gz ZLSBQLSVFPXNIQ-UHFFFAOYSA-N 2 0 265.332 1.707 10 0 CDAERP CS/C=C\C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870020210 712250824 /nfs/dbraw/zinc/25/08/24/712250824.db2.gz HVYLEEQOQWIQGR-ZSBJFDRYSA-N 2 0 285.457 1.061 10 0 CDAERP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CC[NH+](CC2CC=CC2)CC1 ZINC000863548459 712253370 /nfs/dbraw/zinc/25/33/70/712253370.db2.gz QWGZFTSPDKFURT-LSDHHAIUSA-N 2 0 291.395 1.210 10 0 CDAERP c1cc2c(s1)CCN(CCN[C@@H]1CC[NH2+]C13CCC3)C2 ZINC000925494832 712262308 /nfs/dbraw/zinc/26/23/08/712262308.db2.gz PFTRHHWOACGYMG-OAHLLOKOSA-N 2 0 291.464 1.980 10 0 CDAERP C[NH+](C)C[C@@H]1CN(C(=O)NC(C)(C)C)C[C@H]1C[NH+](C)C ZINC000706036749 712263047 /nfs/dbraw/zinc/26/30/47/712263047.db2.gz ZDWNCABVLNSPPS-CHWSQXEVSA-N 2 0 284.448 1.166 10 0 CDAERP CC(C)Cc1ccc(CN2CC[NH2+]CC[NH2+]CC2)cc1 ZINC000923460147 712264216 /nfs/dbraw/zinc/26/42/16/712264216.db2.gz ATDGPMFCTRJAST-UHFFFAOYSA-N 2 0 275.440 1.880 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H](N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000925557384 712272567 /nfs/dbraw/zinc/27/25/67/712272567.db2.gz PASCBCRBKGWFBX-QLFBSQMISA-N 2 0 265.445 1.966 10 0 CDAERP Cc1ccc(C[NH+](C)C)cc1NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852869651 712288799 /nfs/dbraw/zinc/28/87/99/712288799.db2.gz JJKISCPIMNIQCZ-LBPRGKRZSA-N 2 0 290.367 1.099 10 0 CDAERP Cc1cc(CON=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)on1 ZINC000871785583 712296169 /nfs/dbraw/zinc/29/61/69/712296169.db2.gz WBKYNLOCFFGOJL-YOGCLGLASA-N 2 0 278.356 1.854 10 0 CDAERP CC(=O)NCCCCC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000930602709 712298962 /nfs/dbraw/zinc/29/89/62/712298962.db2.gz XXLSSMJZLDXEPI-MRXNPFEDSA-N 2 0 281.444 1.711 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1nccs1 ZINC000924877306 712300435 /nfs/dbraw/zinc/30/04/35/712300435.db2.gz RBBSOAULSPUTBR-QYJAPNMZSA-N 2 0 251.399 1.615 10 0 CDAERP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)N[C@H]1CC[NH+](C)[C@H]1C ZINC000925348501 712304056 /nfs/dbraw/zinc/30/40/56/712304056.db2.gz PUZXBXFEQLUBCI-ZNMIVQPWSA-N 2 0 296.459 1.451 10 0 CDAERP CCC1(C)CC[NH+](Cc2c(C[NH3+])cnn2C)CC1 ZINC000675056000 712311486 /nfs/dbraw/zinc/31/14/86/712311486.db2.gz HLFWGLRTGCAAGO-UHFFFAOYSA-N 2 0 250.390 1.891 10 0 CDAERP Cc1cc(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)ncn1 ZINC000923453210 712311931 /nfs/dbraw/zinc/31/19/31/712311931.db2.gz VPAOGBZXCWVNCU-AWEZNQCLSA-N 2 0 276.384 1.115 10 0 CDAERP C[NH+](C)CCC[C@@H]1C[N@H+](CCC2OCCCO2)CCO1 ZINC000852761654 712346025 /nfs/dbraw/zinc/34/60/25/712346025.db2.gz YTMXXARDEFOVDC-CQSZACIVSA-N 2 0 286.416 1.182 10 0 CDAERP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723887619 712365110 /nfs/dbraw/zinc/36/51/10/712365110.db2.gz WASUQHPQOGFKHR-IJLUTSLNSA-N 2 0 255.406 1.206 10 0 CDAERP CC(C)C[C@H](CN[C@@H]1CC[NH2+]C12CCC2)[NH+](C)C ZINC000925535655 712371698 /nfs/dbraw/zinc/37/16/98/712371698.db2.gz IGUAYPCXGGIZMZ-ZIAGYGMSSA-N 2 0 253.434 1.837 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+][C@H](CO)C[C@H](O)c2ccccc2)C12CCC2 ZINC000925627056 712390322 /nfs/dbraw/zinc/39/03/22/712390322.db2.gz VWCWTWIYOLWJTF-JONQDZQNSA-N 2 0 290.407 1.331 10 0 CDAERP [NH3+]CCCCCCNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000861647965 712390745 /nfs/dbraw/zinc/39/07/45/712390745.db2.gz LWIVZWLBPFHMEY-LBPRGKRZSA-N 2 0 268.405 1.089 10 0 CDAERP C[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)CC[C@@H]1C[NH3+] ZINC000923490457 712391904 /nfs/dbraw/zinc/39/19/04/712391904.db2.gz CRQPLVKLBLIKSU-BBBLOLIVSA-N 2 0 254.296 1.216 10 0 CDAERP C[C@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C1CC1 ZINC000864409073 712393909 /nfs/dbraw/zinc/39/39/09/712393909.db2.gz OVMCFNXSHVZJIM-NWANDNLSSA-N 2 0 296.459 1.166 10 0 CDAERP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000925829102 712401010 /nfs/dbraw/zinc/40/10/10/712401010.db2.gz BGIJGHDNOQWHMD-XPABHHOTSA-N 2 0 250.386 1.827 10 0 CDAERP C[C@H]1C[N@H+](CC(=O)Nc2ccc(Cl)nc2)CC[C@H]1C[NH3+] ZINC000923494215 712401341 /nfs/dbraw/zinc/40/13/41/712401341.db2.gz LDVLFFSXOQTFAV-QWRGUYRKSA-N 2 0 296.802 1.590 10 0 CDAERP CCc1ccc([C@@H](C)[NH2+]CCN2CCC([NH3+])CC2)o1 ZINC000925815622 712411397 /nfs/dbraw/zinc/41/13/97/712411397.db2.gz SJVMFFGAKXHDAW-GFCCVEGCSA-N 2 0 265.401 1.916 10 0 CDAERP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000854229052 712414577 /nfs/dbraw/zinc/41/45/77/712414577.db2.gz HDRDADXQNKAVPE-LPWJVIDDSA-N 2 0 274.355 1.908 10 0 CDAERP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1nccs1 ZINC000092721557 712415304 /nfs/dbraw/zinc/41/53/04/712415304.db2.gz WXECZHIVYGCLMA-JTQLQIEISA-N 2 0 254.403 1.217 10 0 CDAERP c1ccc2c(c1)cncc2C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000135650262 712419388 /nfs/dbraw/zinc/41/93/88/712419388.db2.gz XSWFQEODVSVCFT-KBPBESRZSA-N 2 0 253.349 1.886 10 0 CDAERP C[NH+](C)CCc1ccc(C[NH2+]C[C@H](O)CC(C)(C)O)cc1 ZINC000872207174 712424475 /nfs/dbraw/zinc/42/44/75/712424475.db2.gz KFPHYXHRLBNNAT-MRXNPFEDSA-N 2 0 294.439 1.402 10 0 CDAERP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1CC1CC[NH+](C)CC1 ZINC000251798169 712441744 /nfs/dbraw/zinc/44/17/44/712441744.db2.gz NUKYRSXBXYYTJF-HOCLYGCPSA-N 2 0 265.445 1.887 10 0 CDAERP C[C@@H]1C[N@H+](Cc2ccc3c(c2)OCCO3)C[C@H]1CC[NH3+] ZINC000723887769 712456416 /nfs/dbraw/zinc/45/64/16/712456416.db2.gz WXWSLZOLKUUVAH-TZMCWYRMSA-N 2 0 276.380 1.875 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000926222591 712458851 /nfs/dbraw/zinc/45/88/51/712458851.db2.gz SZBUOTDSBLVUCS-RBKKPWLPSA-N 2 0 252.402 1.874 10 0 CDAERP CCC[NH+]1CCC([NH2+][C@H]2CC(=O)N(CC3CC3)C2)CC1 ZINC000716771367 712487982 /nfs/dbraw/zinc/48/79/82/712487982.db2.gz CSTRVAATHSSDCB-HNNXBMFYSA-N 2 0 279.428 1.461 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)CC2CC[NH2+]CC2)C1 ZINC000870994387 712495774 /nfs/dbraw/zinc/49/57/74/712495774.db2.gz QAYNPISEFHNDGG-INIZCTEOSA-N 2 0 281.444 1.600 10 0 CDAERP C[NH2+]Cc1cccc(NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)c1 ZINC000870933458 712499719 /nfs/dbraw/zinc/49/97/19/712499719.db2.gz ZBZCRGFNSOKHKW-XUJVJEKNSA-N 2 0 259.353 1.472 10 0 CDAERP CCC(F)(F)C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923442350 712686437 /nfs/dbraw/zinc/68/64/37/712686437.db2.gz BPMKOJQBGHJRBA-LLVKDONJSA-N 2 0 262.344 1.862 10 0 CDAERP C[C@H]1CN(C(=[NH2+])NCC2(C[NH+](C)C)CCCC2)CCO1 ZINC000849018914 712689046 /nfs/dbraw/zinc/68/90/46/712689046.db2.gz LIPPCTNCMDRZKW-ZDUSSCGKSA-N 2 0 282.432 1.353 10 0 CDAERP O[C@@H](C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)C(F)(F)F ZINC000923358351 712699291 /nfs/dbraw/zinc/69/92/91/712699291.db2.gz YVLRVAIVHBJOQF-MNOVXSKESA-N 2 0 266.307 1.231 10 0 CDAERP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCC[C@H](O)C3)C[C@@H]2C1 ZINC000310942584 712708171 /nfs/dbraw/zinc/70/81/71/712708171.db2.gz KCPJMMIQUUVNOT-KBXIAJHMSA-N 2 0 252.402 1.421 10 0 CDAERP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)CCC23CC(C2)C[NH2+]3)C1 ZINC000870936829 712725794 /nfs/dbraw/zinc/72/57/94/712725794.db2.gz QFLSDQKBFAEPKY-UQJCBBSYSA-N 2 0 265.401 1.104 10 0 CDAERP C[NH2+]C[C@H]1CCC[N@H+](C[C@@H]2CC3(CCC3)CO2)C1 ZINC000872142373 712729946 /nfs/dbraw/zinc/72/99/46/712729946.db2.gz ROBLGBVYBQDFNL-KGLIPLIRSA-N 2 0 252.402 1.877 10 0 CDAERP [NH3+][C@@H](C[C@@H]1CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1)C1CCCC1 ZINC000923428801 712760255 /nfs/dbraw/zinc/76/02/55/712760255.db2.gz ZUPAXDXVQKDKCU-SRQBIAJPSA-N 3 0 295.471 1.457 10 0 CDAERP C[C@H]([NH3+])CN(C)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000861565651 712763437 /nfs/dbraw/zinc/76/34/37/712763437.db2.gz YSIYDESXXJHFCK-ZFWWWQNUSA-N 2 0 292.427 1.148 10 0 CDAERP CC(C)NC(=O)CN1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866702455 1164811873 /nfs/dbraw/zinc/81/18/73/1164811873.db2.gz BLZPSOVMNZPBHA-AWEZNQCLSA-N 2 0 255.406 1.208 10 0 CDAERP C[C@@H]1CN(CC[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)CCO1 ZINC000866708286 1164812762 /nfs/dbraw/zinc/81/27/62/1164812762.db2.gz QQXOSTDIEIXMHM-GDBMZVCRSA-N 2 0 283.460 1.404 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000870937037 1165236150 /nfs/dbraw/zinc/23/61/50/1165236150.db2.gz SMKALJPMFIKESV-WOSRLPQWSA-N 2 0 271.364 1.398 10 0 CDAERP CC(C)OC[C@H](O)C[NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000871973670 1165369188 /nfs/dbraw/zinc/36/91/88/1165369188.db2.gz DXDIINXMNDDUJY-HRCADAONSA-N 2 0 286.460 1.730 10 0 CDAERP CC(C)CCOCC[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001620483046 1165655025 /nfs/dbraw/zinc/65/50/25/1165655025.db2.gz BBBMUDSZDOMFLA-CABCVRRESA-N 2 0 254.418 1.933 10 0 CDAERP CCCCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001571583802 1167601335 /nfs/dbraw/zinc/60/13/35/1167601335.db2.gz JBGJLFMVZHNQHE-CABCVRRESA-N 2 0 299.459 1.070 10 0 CDAERP CCC[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001567047329 1168044877 /nfs/dbraw/zinc/04/48/77/1168044877.db2.gz BKUFNDROMCBDNO-AGIUHOORSA-N 2 0 255.406 1.221 10 0 CDAERP Cc1cc(C[NH2+]CCN(C)C(=O)[C@@H]2CCC[N@@H+]2C)cs1 ZINC001567475427 1168059065 /nfs/dbraw/zinc/05/90/65/1168059065.db2.gz IAMLNQCTBFBNHK-AWEZNQCLSA-N 2 0 295.452 1.699 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCC2)C1 ZINC001565850342 1168185221 /nfs/dbraw/zinc/18/52/21/1168185221.db2.gz ITEDMJQVPMZGDT-OKILXGFUSA-N 2 0 267.417 1.223 10 0 CDAERP CCCCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001566102486 1168237655 /nfs/dbraw/zinc/23/76/55/1168237655.db2.gz UWDNSPKOIWDMFA-KGLIPLIRSA-N 2 0 269.433 1.707 10 0 CDAERP C[C@H](C(=O)N[C@@H]1CC[C@@H]2C[NH+](C)C[C@H]12)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001647008262 1168344738 /nfs/dbraw/zinc/34/47/38/1168344738.db2.gz GRALQGKKBSORAX-GTDBDLECSA-N 2 0 293.455 1.704 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1CC1CC(C)(C)C1 ZINC001483678162 912612203 /nfs/dbraw/zinc/61/22/03/912612203.db2.gz VGXCMONLLLPCFY-AWEZNQCLSA-N 2 0 281.444 1.565 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC1CC1 ZINC001567081907 1168552192 /nfs/dbraw/zinc/55/21/92/1168552192.db2.gz DLSFCGWJCJUJHY-JSGCOSHPSA-N 2 0 267.417 1.365 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC1CC1 ZINC001272300713 912726915 /nfs/dbraw/zinc/72/69/15/912726915.db2.gz GFQGDCWEDJXYTQ-KGLIPLIRSA-N 2 0 267.417 1.223 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001266353143 894520467 /nfs/dbraw/zinc/52/04/67/894520467.db2.gz PGIPVKDMZQJWAY-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC2CCC2)C1 ZINC001266569788 895400344 /nfs/dbraw/zinc/40/03/44/895400344.db2.gz LOELUXJLPXOLHG-AWEZNQCLSA-N 2 0 267.417 1.317 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC1CC(C)C1 ZINC001266718104 895904815 /nfs/dbraw/zinc/90/48/15/895904815.db2.gz BMAFRWOWLFXNNF-GPANFISMSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1cc(C)cc(C)n1 ZINC000723879085 896241332 /nfs/dbraw/zinc/24/13/32/896241332.db2.gz JSXWGMVFBNWTME-UHFFFAOYSA-N 2 0 251.374 1.366 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+]CCF ZINC001266883919 896271758 /nfs/dbraw/zinc/27/17/58/896271758.db2.gz HEQNJKXSZVADKJ-ZDUSSCGKSA-N 2 0 273.396 1.267 10 0 CDAERP CC[C@@H](C(=O)N(C)CC[NH2+]Cc1ccc(F)cn1)[NH+](C)C ZINC001266989393 896507376 /nfs/dbraw/zinc/50/73/76/896507376.db2.gz XARNOBJWVWNPRW-AWEZNQCLSA-N 2 0 296.390 1.109 10 0 CDAERP CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CCCF)C1)[NH+](C)C ZINC001267022552 896581496 /nfs/dbraw/zinc/58/14/96/896581496.db2.gz JWOPKDOYGCIBKD-STQMWFEESA-N 2 0 273.396 1.123 10 0 CDAERP CC[C@H](C(=O)N1CC[C@@H](C[NH2+]C/C=C/Cl)C1)[NH+](C)C ZINC001267068129 896678305 /nfs/dbraw/zinc/67/83/05/896678305.db2.gz VYMMCCFDPBTPHM-JHSWMASBSA-N 2 0 287.835 1.517 10 0 CDAERP CCOCC[NH2+]CCN(C)C(=O)c1cccc2nccn21 ZINC001267402817 897856672 /nfs/dbraw/zinc/85/66/72/897856672.db2.gz QDNVVFSJYXJASY-UHFFFAOYSA-N 2 0 290.367 1.032 10 0 CDAERP CCc1nocc1C[NH2+]CCN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001267456622 897935278 /nfs/dbraw/zinc/93/52/78/897935278.db2.gz DJBKTPADMZYTOW-AWEZNQCLSA-N 2 0 296.415 1.125 10 0 CDAERP C[C@H]1CCC[C@](CNC(=O)[C@]2(C)CCC[NH2+]2)([NH+](C)C)C1 ZINC000079519391 897946755 /nfs/dbraw/zinc/94/67/55/897946755.db2.gz DBDHVBVDBLXVFZ-BPUTZDHNSA-N 2 0 281.444 1.755 10 0 CDAERP C[NH+]1CCC2(CCN(CC34CC(C3)C[NH2+]4)CC2)CC1 ZINC000694533587 898495864 /nfs/dbraw/zinc/49/58/64/898495864.db2.gz MYPXBAXTHOJMTM-UHFFFAOYSA-N 2 0 263.429 1.546 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001481109625 898875190 /nfs/dbraw/zinc/87/51/90/898875190.db2.gz BTGWEKDPUSDLEA-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)CC[NH2+]C[C@](C)(NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001267864640 899901469 /nfs/dbraw/zinc/90/14/69/899901469.db2.gz HZNYBJJQLOFONE-PBHICJAKSA-N 2 0 295.471 1.859 10 0 CDAERP CCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001267987118 900198113 /nfs/dbraw/zinc/19/81/13/900198113.db2.gz REHOUQCWSHPNOG-OCCSQVGLSA-N 2 0 267.417 1.080 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001268014028 900296357 /nfs/dbraw/zinc/29/63/57/900296357.db2.gz JIBXDHQYWQVRKN-KBPBESRZSA-N 2 0 269.433 1.470 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]CCCC1CCC1 ZINC001268013992 900297453 /nfs/dbraw/zinc/29/74/53/900297453.db2.gz ITKVJECTWAZGLT-HOCLYGCPSA-N 2 0 295.471 1.860 10 0 CDAERP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000722315091 900799887 /nfs/dbraw/zinc/79/98/87/900799887.db2.gz MNMPRMNQINREQI-IHRRRGAJSA-N 2 0 252.402 1.922 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001421742102 900819955 /nfs/dbraw/zinc/81/99/55/900819955.db2.gz LPFXIKJQVCQLKQ-JSGCOSHPSA-N 2 0 287.423 1.418 10 0 CDAERP CCC[N@H+](C)CCC(=O)NC1C[NH+](CC2CC(C)(C)C2)C1 ZINC001481596857 901419543 /nfs/dbraw/zinc/41/95/43/901419543.db2.gz FZAGOBLQEMKLQT-UHFFFAOYSA-N 2 0 295.471 1.955 10 0 CDAERP CCCC[NH2+][C@@H](C)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001282156257 901553560 /nfs/dbraw/zinc/55/35/60/901553560.db2.gz BCDVQWUQUKVECN-KBPBESRZSA-N 2 0 281.444 1.898 10 0 CDAERP CCOCC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001268238102 901641981 /nfs/dbraw/zinc/64/19/81/901641981.db2.gz WVTNMFQVSSNSIP-HNNXBMFYSA-N 2 0 299.459 1.286 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001481740315 901986512 /nfs/dbraw/zinc/98/65/12/901986512.db2.gz OGFFFZSQIYQHSK-OLZOCXBDSA-N 2 0 273.396 1.219 10 0 CDAERP CCN(CC[NH2+]CC1CC1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001268459649 902175503 /nfs/dbraw/zinc/17/55/03/902175503.db2.gz YXTJJFGKRPZJOS-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@H](CNC(=O)Cc1c[nH]cn1)[NH2+]CC1=CCCCC1 ZINC001481856479 902227876 /nfs/dbraw/zinc/22/78/76/902227876.db2.gz GXCHKUOGJKQXEI-CQSZACIVSA-N 2 0 290.411 1.937 10 0 CDAERP CO[C@@H](C)C[NH2+]CC1(NC(=O)C[N@H+](C)C(C)C)CCCC1 ZINC001481912528 902305454 /nfs/dbraw/zinc/30/54/54/902305454.db2.gz DEATUZZCSNELEX-AWEZNQCLSA-N 2 0 299.459 1.380 10 0 CDAERP CC(C)OCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001268689458 902970532 /nfs/dbraw/zinc/97/05/32/902970532.db2.gz XHAGXYINXAZMSR-LSDHHAIUSA-N 2 0 299.459 1.379 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C[NH2+]CC1=CCCCC1)[NH+](C)C ZINC001268692248 902973377 /nfs/dbraw/zinc/97/33/77/902973377.db2.gz DDAJJJKWZWUAOL-DZGCQCFKSA-N 2 0 281.444 1.921 10 0 CDAERP CCC[NH+]1CC(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001268839215 903172097 /nfs/dbraw/zinc/17/20/97/903172097.db2.gz XMBOPRDZDBHPOI-AWEZNQCLSA-N 2 0 267.417 1.319 10 0 CDAERP CC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](CC=C(C)C)C1)[NH+](C)C ZINC001269250175 903609473 /nfs/dbraw/zinc/60/94/73/903609473.db2.gz AEQVBKWQTQJZTP-HUUCEWRRSA-N 2 0 281.444 1.826 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCCF)CC1 ZINC001270011536 904269217 /nfs/dbraw/zinc/26/92/17/904269217.db2.gz ZNVVQUQBUPWLKK-MGPQQGTHSA-N 2 0 285.407 1.457 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCCCF ZINC001567861031 1169023483 /nfs/dbraw/zinc/02/34/83/1169023483.db2.gz GVDDNDSXIHLTOS-KBPBESRZSA-N 2 0 285.407 1.363 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001423018651 905681332 /nfs/dbraw/zinc/68/13/32/905681332.db2.gz BBWLZZRTGHRMFH-OAHLLOKOSA-N 2 0 295.471 1.859 10 0 CDAERP C[C@H]([NH2+]CCCF)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001271551528 906515119 /nfs/dbraw/zinc/51/51/19/906515119.db2.gz RCJCVWRPLLLTIO-UONOGXRCSA-N 2 0 297.418 1.268 10 0 CDAERP CCC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001271659668 906575290 /nfs/dbraw/zinc/57/52/90/906575290.db2.gz KRTMXPDXSXKNNX-OLZOCXBDSA-N 2 0 255.406 1.032 10 0 CDAERP CC[NH2+][C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001271838194 906881095 /nfs/dbraw/zinc/88/10/95/906881095.db2.gz MHRZWDBRYDJZPY-KGLIPLIRSA-N 2 0 267.417 1.079 10 0 CDAERP CC[NH+](CC)CC[C@H](CO)NCc1cccc2c1OCC2 ZINC000922221607 921380796 /nfs/dbraw/zinc/38/07/96/921380796.db2.gz JCOFKYKGPMKKFL-MRXNPFEDSA-N 2 0 292.423 1.804 10 0 CDAERP CCN(C(=O)CCCC[NH+](C)C)[C@@H]1CC[N@H+](C[C@H](C)O)C1 ZINC001567943566 1169085786 /nfs/dbraw/zinc/08/57/86/1169085786.db2.gz CNHSJKIVNSCOMC-LSDHHAIUSA-N 2 0 299.459 1.022 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841846875 908680717 /nfs/dbraw/zinc/68/07/17/908680717.db2.gz BECWRTVHXCZBOK-OAHLLOKOSA-N 2 0 289.423 1.582 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)NC/C=C\C[NH2+]CCF)C1 ZINC001483049321 908969746 /nfs/dbraw/zinc/96/97/46/908969746.db2.gz IWSPLUGZMLZNQN-NQHOJNORSA-N 2 0 285.407 1.340 10 0 CDAERP C[C@H]1[C@@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)CC[N@@H+]1C ZINC000922291642 921480443 /nfs/dbraw/zinc/48/04/43/921480443.db2.gz FISHVNYXYTWWJM-PPWQZUPISA-N 2 0 294.443 1.395 10 0 CDAERP Cn1cc(C[NH2+]CCCn2ccnc2)c(Br)n1 ZINC000712460505 909566328 /nfs/dbraw/zinc/56/63/28/909566328.db2.gz ORJPILLSOONVMJ-UHFFFAOYSA-N 2 0 298.188 1.559 10 0 CDAERP C([C@H]1CCC2(CCC2)O1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000712455050 909567672 /nfs/dbraw/zinc/56/76/72/909567672.db2.gz ZOWGVVHZSZGTFO-ZIAGYGMSSA-N 2 0 250.386 1.774 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[C@@H]([NH3+])C(C)C ZINC000713014837 909600883 /nfs/dbraw/zinc/60/08/83/909600883.db2.gz JKYLLOFRWAXURF-OLZOCXBDSA-N 2 0 269.433 1.596 10 0 CDAERP CC1(C)CC[C@H](C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)OC1 ZINC000713596812 909632379 /nfs/dbraw/zinc/63/23/79/909632379.db2.gz OYFGFFIKNHMQIW-MGPQQGTHSA-N 2 0 252.402 1.875 10 0 CDAERP CC(C)[NH2+]C[C@H](C1CC1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001507034615 909873478 /nfs/dbraw/zinc/87/34/78/909873478.db2.gz SSXPMFUNSLSQKQ-UKRRQHHQSA-N 2 0 281.444 1.563 10 0 CDAERP CO[C@@]1(C[NH2+]C2CCC(C)([NH+](C)C)CC2)CCOC1 ZINC000715528060 910010519 /nfs/dbraw/zinc/01/05/19/910010519.db2.gz OGUDWNGHUAZXRN-YMAMQOFZSA-N 2 0 270.417 1.644 10 0 CDAERP CC[C@@H](F)C[N@H+](C)[C@@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001409685135 910626418 /nfs/dbraw/zinc/62/64/18/910626418.db2.gz LBGYGFMDTAPSSD-QWHCGFSZSA-N 2 0 275.412 1.511 10 0 CDAERP C[C@@H](C[NH2+]CCF)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001483266702 910760425 /nfs/dbraw/zinc/76/04/25/910760425.db2.gz RRDZULWXSFAPMP-SMDDNHRTSA-N 2 0 291.386 1.263 10 0 CDAERP CC[C@H](F)C[NH2+]CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001483489577 911188859 /nfs/dbraw/zinc/18/88/59/911188859.db2.gz DUZNQOIAGXAMAU-AWEZNQCLSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@@H](CC[NH2+]CCC(F)(F)F)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001497153701 911280566 /nfs/dbraw/zinc/28/05/66/911280566.db2.gz GVMLDULSWIFAGY-QWRGUYRKSA-N 2 0 295.349 1.517 10 0 CDAERP CC[NH2+]CCC1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001568098229 1169136020 /nfs/dbraw/zinc/13/60/20/1169136020.db2.gz AJXFGEFHFWFHTM-KRWDZBQOSA-N 2 0 293.455 1.711 10 0 CDAERP CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000921437974 914930282 /nfs/dbraw/zinc/93/02/82/914930282.db2.gz MMKKLYFSYIYAHO-BFHYXJOUSA-N 2 0 282.432 1.253 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN1C(=O)CC[N@H+](C)CCC ZINC001483952019 915234958 /nfs/dbraw/zinc/23/49/58/915234958.db2.gz OTJULGTXRAECDF-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCCF ZINC001484020944 915298806 /nfs/dbraw/zinc/29/88/06/915298806.db2.gz MXYJHMMSBGCSQN-CABCVRRESA-N 2 0 299.434 1.752 10 0 CDAERP CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001484100497 915434542 /nfs/dbraw/zinc/43/45/42/915434542.db2.gz NIUBEBRPWGYOQM-CZUORRHYSA-N 2 0 290.411 1.294 10 0 CDAERP CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000925336869 915449323 /nfs/dbraw/zinc/44/93/23/915449323.db2.gz NIWDCYIPLFYSKS-STQMWFEESA-N 2 0 270.421 1.061 10 0 CDAERP C[N@@H+]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)C(C)(C)C1 ZINC001178710309 915605387 /nfs/dbraw/zinc/60/53/87/915605387.db2.gz ZGNRFLIRFQILSZ-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP CCO[C@H](CNCc1sc(C)nc1C)C[NH+](C)C ZINC000922756571 921791086 /nfs/dbraw/zinc/79/10/86/921791086.db2.gz LPZDYCUMHAZVLG-GFCCVEGCSA-N 2 0 271.430 1.816 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC1CC1 ZINC001484467752 915795411 /nfs/dbraw/zinc/79/54/11/915795411.db2.gz OUYZXCUVIJGFJB-JKSUJKDBSA-N 2 0 293.455 1.802 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC2(C1)CC[NH+](C(C)C)CC2 ZINC001484582085 915902235 /nfs/dbraw/zinc/90/22/35/915902235.db2.gz OFLIODIDTBPJRH-UHFFFAOYSA-N 2 0 281.444 1.659 10 0 CDAERP CCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001568180737 1169164456 /nfs/dbraw/zinc/16/44/56/1169164456.db2.gz WMLGGGAUCKFPLR-CHWSQXEVSA-N 2 0 255.406 1.223 10 0 CDAERP CC[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001484760219 916127642 /nfs/dbraw/zinc/12/76/42/916127642.db2.gz UMKNBZFDHABZNF-LSDHHAIUSA-N 2 0 281.444 1.804 10 0 CDAERP CCC1([NH2+]CCF)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001484809639 916180884 /nfs/dbraw/zinc/18/08/84/916180884.db2.gz JENPBPPBFBNWTL-ZDUSSCGKSA-N 2 0 285.407 1.411 10 0 CDAERP CC(C)CC[NH2+]C1(C)CCN(C(=O)Cn2ccnc2)CC1 ZINC001484928466 916273228 /nfs/dbraw/zinc/27/32/28/916273228.db2.gz UQCKYTMUBITPFZ-UHFFFAOYSA-N 2 0 292.427 1.900 10 0 CDAERP COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000251713649 916374682 /nfs/dbraw/zinc/37/46/82/916374682.db2.gz JNPJSVGMVOAZAU-OLZOCXBDSA-N 2 0 291.395 1.550 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001494016061 917145536 /nfs/dbraw/zinc/14/55/36/917145536.db2.gz AUPMGDOQOFHAJO-OWCLPIDISA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[NH2+]CCC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001485742972 917236890 /nfs/dbraw/zinc/23/68/90/917236890.db2.gz BIXHWZJHGBWICI-ZDUSSCGKSA-N 2 0 267.417 1.365 10 0 CDAERP CC[C@@H](C[N@H+](C)C1CCN(C(=O)CC[NH+](C)C)CC1)OC ZINC001485762977 917260533 /nfs/dbraw/zinc/26/05/33/917260533.db2.gz LQDBIIWIUUCAPE-HNNXBMFYSA-N 2 0 299.459 1.286 10 0 CDAERP COC(=O)[C@@H](C)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000691898355 917555329 /nfs/dbraw/zinc/55/53/29/917555329.db2.gz FCAPVGIYIWAORO-GFCCVEGCSA-N 2 0 254.374 1.356 10 0 CDAERP CC[C@H](C)C[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001366673921 917874261 /nfs/dbraw/zinc/87/42/61/917874261.db2.gz CRHMGNOSSVABOY-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](C)C1 ZINC000925339989 918917868 /nfs/dbraw/zinc/91/78/68/918917868.db2.gz ZWOFZSRILAATGE-YJNKXOJESA-N 2 0 296.459 1.451 10 0 CDAERP C[C@@H](CC[NH2+]CC1CCC1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001272780828 919266171 /nfs/dbraw/zinc/26/61/71/919266171.db2.gz BZBLTDUYEULNHE-BBRMVZONSA-N 2 0 293.455 1.613 10 0 CDAERP C[C@@H](CC[NH2+]CC1CCC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001272890152 919978515 /nfs/dbraw/zinc/97/85/15/919978515.db2.gz UBKAUPXLZGRLSU-AWEZNQCLSA-N 2 0 293.455 1.899 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001485960306 920628393 /nfs/dbraw/zinc/62/83/93/920628393.db2.gz DEYSARXSDZPHSP-ZDUSSCGKSA-N 2 0 257.422 1.419 10 0 CDAERP CCC[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@H]12 ZINC001486145488 920749287 /nfs/dbraw/zinc/74/92/87/920749287.db2.gz FREJORVXSLOIII-DOTOQJQBSA-N 2 0 293.455 1.994 10 0 CDAERP CC(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CN(C)CCO1)C(C)(C)C ZINC001486389955 920974347 /nfs/dbraw/zinc/97/43/47/920974347.db2.gz FLDKFSQBAJBZKU-KBPBESRZSA-N 2 0 299.459 1.094 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCCF)CCC1 ZINC001273056963 921851419 /nfs/dbraw/zinc/85/14/19/921851419.db2.gz YYGJRDJGYTZJQS-GFCCVEGCSA-N 2 0 271.380 1.069 10 0 CDAERP CC(C)C[C@@H](C[NH2+]CCF)NC(=O)C1([NH+](C)C)CCC1 ZINC001568331061 1169250136 /nfs/dbraw/zinc/25/01/36/1169250136.db2.gz KHYXKDMSDYCRQP-ZDUSSCGKSA-N 2 0 287.423 1.561 10 0 CDAERP CN1C[C@]2(C)C[NH+](CCCCCCO)C[C@@]2(C)C1 ZINC000707889472 923173301 /nfs/dbraw/zinc/17/33/01/923173301.db2.gz LRIRSNBCIGZPAJ-HUUCEWRRSA-N 2 0 254.418 1.813 10 0 CDAERP Cc1cc(C[NH2+][C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)cs1 ZINC001490925422 936831561 /nfs/dbraw/zinc/83/15/61/936831561.db2.gz ZNYRROJEYAIWTO-HDJSIYSDSA-N 2 0 295.452 1.745 10 0 CDAERP CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001491080442 936852201 /nfs/dbraw/zinc/85/22/01/936852201.db2.gz NWWBCXQNEONNHS-ZNMIVQPWSA-N 2 0 281.444 1.754 10 0 CDAERP C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC000923261201 923674558 /nfs/dbraw/zinc/67/45/58/923674558.db2.gz GSKMVQSJGJKPQU-JONQDZQNSA-N 2 0 291.439 1.698 10 0 CDAERP CSC[C@H](O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000923364748 923777359 /nfs/dbraw/zinc/77/73/59/923777359.db2.gz QRVSTUJEWVFILM-XQQFMLRXSA-N 2 0 258.431 1.174 10 0 CDAERP COC(=O)[C@H]1CCCC[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923369802 923782754 /nfs/dbraw/zinc/78/27/54/923782754.db2.gz OTEXHQHTZYBINB-JALIKCBVSA-N 2 0 280.412 1.935 10 0 CDAERP O=C1CCCN1C[C@@H]1CC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923395760 923805018 /nfs/dbraw/zinc/80/50/18/923805018.db2.gz PZOGWFBJMHBROC-CYBMUJFWSA-N 2 0 265.401 1.073 10 0 CDAERP CCC1([NH+]2CCCCC2)CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923421561 923825848 /nfs/dbraw/zinc/82/58/48/923825848.db2.gz CUEXGTJYGKWHTL-JYJNAYRXSA-N 2 0 295.471 1.568 10 0 CDAERP FC1(F)[C@@H](CN2CC[NH2+]CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000923459762 923838804 /nfs/dbraw/zinc/83/88/04/923838804.db2.gz FRGAYHMUVLARBE-GJZGRUSLSA-N 2 0 295.377 1.530 10 0 CDAERP FC(F)(F)c1ncccc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000923459481 923841056 /nfs/dbraw/zinc/84/10/56/923841056.db2.gz CIINTAGOICLSJN-UHFFFAOYSA-N 2 0 288.317 1.095 10 0 CDAERP COc1cc(Cl)ccc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000923460459 923847694 /nfs/dbraw/zinc/84/76/94/923847694.db2.gz SMGNZWLENARHJQ-UHFFFAOYSA-N 2 0 283.803 1.343 10 0 CDAERP CCN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923502525 923881021 /nfs/dbraw/zinc/88/10/21/923881021.db2.gz ZMQYGEUZXSUBJU-AVGNSLFASA-N 2 0 255.406 1.160 10 0 CDAERP C([C@@H]1CCC2(CCOCC2)O1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516294 923893234 /nfs/dbraw/zinc/89/32/34/923893234.db2.gz YELNIUIWVJXFRT-ZNMIVQPWSA-N 2 0 280.412 1.256 10 0 CDAERP COCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+](C)C(C)C)C1 ZINC001491300025 936892323 /nfs/dbraw/zinc/89/23/23/936892323.db2.gz KZRWUEQZUJPTOX-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP c1nn(-c2ccccc2)nc1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000841080245 936974948 /nfs/dbraw/zinc/97/49/48/936974948.db2.gz QXRDKWOMFLINJS-OAHLLOKOSA-N 2 0 283.379 1.499 10 0 CDAERP CCC[NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001491549277 937112428 /nfs/dbraw/zinc/11/24/28/937112428.db2.gz SRSAIMBATBAKQM-LBPRGKRZSA-N 2 0 255.406 1.365 10 0 CDAERP COCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H]1C ZINC001489305158 926859801 /nfs/dbraw/zinc/85/98/01/926859801.db2.gz NWSSWJMJZFTVBY-QLFBSQMISA-N 2 0 299.459 1.188 10 0 CDAERP CO[C@H](C)C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001490367682 927134685 /nfs/dbraw/zinc/13/46/85/927134685.db2.gz SBLHGMGEKRTPFI-HIFRSBDPSA-N 2 0 297.443 1.086 10 0 CDAERP CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC1 ZINC001490664474 927290219 /nfs/dbraw/zinc/29/02/19/927290219.db2.gz KNNGGIJLPHPDRD-MELADBBJSA-N 2 0 267.417 1.221 10 0 CDAERP C[N@@H+]1CC[C@@]2(CC[NH+](CC[C@H]3COC(C)(C)O3)C2)C1 ZINC000852078016 927703804 /nfs/dbraw/zinc/70/38/04/927703804.db2.gz IRLYHOWNMMKOPG-DZGCQCFKSA-N 2 0 268.401 1.556 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC000854223571 928173556 /nfs/dbraw/zinc/17/35/56/928173556.db2.gz SFAHOBRZQBRFNA-VIFPVBQESA-N 2 0 290.351 1.071 10 0 CDAERP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccnc(F)c2)CC1 ZINC000858173387 928815534 /nfs/dbraw/zinc/81/55/34/928815534.db2.gz CTCNFSZUDSUUNJ-UHFFFAOYSA-N 2 0 294.418 1.726 10 0 CDAERP CCN(CC)C(=O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000796706031 937311568 /nfs/dbraw/zinc/31/15/68/937311568.db2.gz YADZKEIVEJHIGC-MGPQQGTHSA-N 2 0 267.417 1.317 10 0 CDAERP CCOC(=O)C1=CC[C@H]([NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000863544387 929566664 /nfs/dbraw/zinc/56/66/64/929566664.db2.gz SGIPTMUJLGOELV-FPMFFAJLSA-N 2 0 266.385 1.616 10 0 CDAERP CC[C@@H](C)[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549278 929568805 /nfs/dbraw/zinc/56/88/05/929568805.db2.gz GWSPHGBPIZRCGR-RTXFEEFZSA-N 2 0 267.373 1.042 10 0 CDAERP CC(C)OC(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000817911366 930626726 /nfs/dbraw/zinc/62/67/26/930626726.db2.gz KQUWDWVSIFWWOT-QWHCGFSZSA-N 2 0 269.389 1.465 10 0 CDAERP C[NH+](C)CCOc1ccc(CC[NH2+]C[C@@H](O)C2CC2)cc1 ZINC000819018029 930752559 /nfs/dbraw/zinc/75/25/59/930752559.db2.gz NQCRRGMNOWLTFV-QGZVFWFLSA-N 2 0 292.423 1.530 10 0 CDAERP Cn1cncc1CC[N@H+](C)C[C@](C)(O)c1ccccc1 ZINC000823605441 931330068 /nfs/dbraw/zinc/33/00/68/931330068.db2.gz KRCLCKUFBMYZGN-INIZCTEOSA-N 2 0 273.380 1.802 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C[NH2+]CC1CCC1)[NH+](C)C ZINC001274991583 931628687 /nfs/dbraw/zinc/62/86/87/931628687.db2.gz LJAREEGIMXMPKB-DGCLKSJQSA-N 2 0 255.406 1.221 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]CCCF)[NH+](C)C ZINC001275417206 931781860 /nfs/dbraw/zinc/78/18/60/931781860.db2.gz CYMSYCQEIYFRSR-RYUDHWBXSA-N 2 0 261.385 1.027 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001275542905 931864423 /nfs/dbraw/zinc/86/44/23/931864423.db2.gz WZSLBXHDLMDKEZ-KGLIPLIRSA-N 2 0 279.428 1.531 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CCC(C[NH+](C)C)CC2)C1 ZINC001411768449 932006135 /nfs/dbraw/zinc/00/61/35/932006135.db2.gz PIQVOPILECJYQU-MRXNPFEDSA-N 2 0 295.471 1.907 10 0 CDAERP CN(CCC[NH2+]C/C=C\Cl)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001276007336 932228298 /nfs/dbraw/zinc/22/82/98/932228298.db2.gz QOIVNEMRQNVCPH-OKEUPSHZSA-N 2 0 299.846 1.519 10 0 CDAERP CC[C@@H](C[NH2+]CCCN(C)C(=O)C1CC[NH+](C)CC1)OC ZINC001276208819 932643317 /nfs/dbraw/zinc/64/33/17/932643317.db2.gz JKAOXFFOHPRJNK-HNNXBMFYSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCCOC)C1 ZINC001490826456 932742622 /nfs/dbraw/zinc/74/26/22/932742622.db2.gz RKOFSQCTPPZVMP-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CC[NH+](CC)CCN[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000924540502 932799012 /nfs/dbraw/zinc/79/90/12/932799012.db2.gz DUILMOCELYKSBC-GJZGRUSLSA-N 2 0 253.434 1.935 10 0 CDAERP O[C@H](C[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2)C[NH+]1CCCC1 ZINC000924758410 932819052 /nfs/dbraw/zinc/81/90/52/932819052.db2.gz VLUKUPFXZANYQO-GBJTYRQASA-N 2 0 250.386 1.387 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)C(C)(C)CO ZINC000925242131 932862925 /nfs/dbraw/zinc/86/29/25/932862925.db2.gz WJDDDGGGHATQPL-CHWSQXEVSA-N 2 0 260.422 1.340 10 0 CDAERP CCN(C(=O)N[C@H]1CC[NH+](C)[C@H]1C)[C@H]1CC[N@H+](CC)C1 ZINC000925343841 932875581 /nfs/dbraw/zinc/87/55/81/932875581.db2.gz QVEDUJRVICCEAH-IHRRRGAJSA-N 2 0 282.432 1.205 10 0 CDAERP C[C@H]1OC[C@@H]([NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)[C@@H]1C ZINC000925439065 932887465 /nfs/dbraw/zinc/88/74/65/932887465.db2.gz HXEWEEYPKWNHKE-YIDVYQOGSA-N 2 0 284.444 1.889 10 0 CDAERP COCC[N@H+](C)CCCN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925543234 932901716 /nfs/dbraw/zinc/90/17/16/932901716.db2.gz LPDRQDBXFNXNRC-UONOGXRCSA-N 2 0 271.449 1.450 10 0 CDAERP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C(C)(C)CO ZINC000925554456 932903585 /nfs/dbraw/zinc/90/35/85/932903585.db2.gz AMWKYCKVNQTDLU-NUEKZKHPSA-N 2 0 298.471 1.751 10 0 CDAERP Cc1ncc(CC[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)s1 ZINC000925616939 932915755 /nfs/dbraw/zinc/91/57/55/932915755.db2.gz ODFHKCOCGCIZNK-RYUDHWBXSA-N 2 0 251.399 1.854 10 0 CDAERP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)[C@H](O)c1ccccc1 ZINC000925668436 932924544 /nfs/dbraw/zinc/92/45/44/932924544.db2.gz HFBVVFXDNBNENQ-MHEUCROKSA-N 2 0 260.381 1.968 10 0 CDAERP CC(C)(C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C(=O)N1CCCC1 ZINC000925720138 932931411 /nfs/dbraw/zinc/93/14/11/932931411.db2.gz WYFHQOYQWWIIFD-XPABHHOTSA-N 2 0 291.439 1.221 10 0 CDAERP O=C1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CN1CC1CC1 ZINC000925771792 932938202 /nfs/dbraw/zinc/93/82/02/932938202.db2.gz OLBXRDQALABWPA-ZJIFWQFVSA-N 2 0 291.439 1.508 10 0 CDAERP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(-n2cncn2)cc1 ZINC000925788902 932938687 /nfs/dbraw/zinc/93/86/87/932938687.db2.gz DDTCHCDWCZWMFZ-NFAWXSAZSA-N 2 0 285.395 1.773 10 0 CDAERP CC(C)[C@H](Cn1cccn1)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925802428 932940520 /nfs/dbraw/zinc/94/05/20/932940520.db2.gz GLSIDQICGBDBSC-KFWWJZLASA-N 2 0 264.417 1.743 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC(C)(C)C(=O)N1CCCC1 ZINC000926765803 933020812 /nfs/dbraw/zinc/02/08/12/933020812.db2.gz LUIXNDANGZFONJ-YIONKMFJSA-N 2 0 293.455 1.565 10 0 CDAERP C[NH+](C)CC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)c1cccnc1 ZINC000928828941 933181451 /nfs/dbraw/zinc/18/14/51/933181451.db2.gz CMEHHTJDGPZRDU-HUUCEWRRSA-N 2 0 290.411 1.142 10 0 CDAERP O[C@H](C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)C1(O)CCC1 ZINC000929688073 933256990 /nfs/dbraw/zinc/25/69/90/933256990.db2.gz OXNRNQPADJDIBB-HUUCEWRRSA-N 2 0 282.428 1.213 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)C2(O)CCC2)C[C@H]1C ZINC000929779093 933269575 /nfs/dbraw/zinc/26/95/75/933269575.db2.gz DHFZXRRIWVWWCK-HZSPNIEDSA-N 2 0 270.417 1.067 10 0 CDAERP C[NH+](C)CCCC1CC[NH+](CCO[C@H]2CCOC2)CC1 ZINC000930143810 933321790 /nfs/dbraw/zinc/32/17/90/933321790.db2.gz AMLMEUCQYBRCRF-INIZCTEOSA-N 2 0 284.444 1.846 10 0 CDAERP C[NH+]1CCC[C@@H]1CCN1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000933737866 933853373 /nfs/dbraw/zinc/85/33/73/933853373.db2.gz TZWKUHUYFHRBJZ-KFWWJZLASA-N 2 0 251.418 1.354 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC001412816527 934377742 /nfs/dbraw/zinc/37/77/42/934377742.db2.gz MPSJVBBBQPWHEX-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H](CC[NH2+]Cc1ccns1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001568611636 1169395673 /nfs/dbraw/zinc/39/56/73/1169395673.db2.gz FCADJKVMHZXBNX-AAEUAGOBSA-N 2 0 296.440 1.222 10 0 CDAERP CC(F)(F)CCC[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000718588191 934828933 /nfs/dbraw/zinc/82/89/33/934828933.db2.gz BLKUUMWNKDMNKT-GFCCVEGCSA-N 2 0 261.360 1.401 10 0 CDAERP Nc1nc(NC[C@@H]2CC[N@@H+]2C2CCCCCC2)nc(N)[nH+]1 ZINC001412907126 935086066 /nfs/dbraw/zinc/08/60/66/935086066.db2.gz VOPWJZWTFXWPHF-NSHDSACASA-N 2 0 291.403 1.245 10 0 CDAERP OC1(C[NH+]2CCCCC2)CCN(CC[NH+]2CCCC2)CC1 ZINC001413090812 935898494 /nfs/dbraw/zinc/89/84/94/935898494.db2.gz QEWDKBUNWXNNDT-UHFFFAOYSA-N 2 0 295.471 1.395 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001413396454 936011341 /nfs/dbraw/zinc/01/13/41/936011341.db2.gz VVYDHBFMUSTWMO-INIZCTEOSA-N 2 0 289.423 1.370 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)C[C@H]([NH3+])C(C)(C)C ZINC000136948260 938585379 /nfs/dbraw/zinc/58/53/79/938585379.db2.gz KXSJSFZELCJDGN-RYUDHWBXSA-N 2 0 255.406 1.303 10 0 CDAERP CC[N@H+]1[C@H](C)CN(C(=O)C[NH+]2CC[C@H](C)C2)C[C@@H]1C ZINC001163885604 939347138 /nfs/dbraw/zinc/34/71/38/939347138.db2.gz UHMCKNZDNWNBBB-MELADBBJSA-N 2 0 267.417 1.269 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]C/C=C\Cl)[NH+](C)C ZINC001497833899 973542674 /nfs/dbraw/zinc/54/26/74/973542674.db2.gz VIEXGPONMWKUBV-PBWNMSGQSA-N 2 0 275.824 1.419 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCC2CC[NH+](C)CC2)C1 ZINC001362112029 970900443 /nfs/dbraw/zinc/90/04/43/970900443.db2.gz LMCAZDHMYMJFHH-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](CCC[NH2+]C/C=C\Cl)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001277356697 942419766 /nfs/dbraw/zinc/41/97/66/942419766.db2.gz WJVUGVSCEYSLMJ-PWNWJAOYSA-N 2 0 287.835 1.565 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NCC[N@H+](C)C1CCCCC1 ZINC001362163773 970964458 /nfs/dbraw/zinc/96/44/58/970964458.db2.gz YFNDQYPVYRZHNJ-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP CC[NH2+]CCOCCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001284879093 943272103 /nfs/dbraw/zinc/27/21/03/943272103.db2.gz ZTVCJUYKXFGFCD-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP COCC[NH2+]C[C@@H]1CCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001277874866 943934669 /nfs/dbraw/zinc/93/46/69/943934669.db2.gz UMZWINHLUGBASU-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CCOCCC[NH2+][C@@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001277923076 944054260 /nfs/dbraw/zinc/05/42/60/944054260.db2.gz UUXIAAOJIWXIRB-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP CC[N@H+](C)CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001265007389 944200821 /nfs/dbraw/zinc/20/08/21/944200821.db2.gz PBKQKAHKCFFQPH-UHFFFAOYSA-N 2 0 253.390 1.073 10 0 CDAERP Cc1oncc1C[NH+](C)CCCNC(=O)C[N@@H+](C)C(C)C ZINC001265072759 944219597 /nfs/dbraw/zinc/21/95/97/944219597.db2.gz FCRKNOWCJBDODA-UHFFFAOYSA-N 2 0 296.415 1.261 10 0 CDAERP CCOCC[NH+]1CCC(N(C)C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001265200121 944266606 /nfs/dbraw/zinc/26/66/06/944266606.db2.gz JPHWBRBZRYZLBB-HNNXBMFYSA-N 2 0 299.459 1.286 10 0 CDAERP C[NH+](C)CCCC(=O)N1CC[C@H]([NH2+]CCOC2CCC2)C1 ZINC001265444061 944391564 /nfs/dbraw/zinc/39/15/64/944391564.db2.gz KZULJCNAPNHAPC-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)=CC[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001265875060 944552601 /nfs/dbraw/zinc/55/26/01/944552601.db2.gz VIQZZQJYGLLANU-OAHLLOKOSA-N 2 0 281.444 1.875 10 0 CDAERP CCCCC[NH2+]C[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001266028983 944640866 /nfs/dbraw/zinc/64/08/66/944640866.db2.gz HXKAMGZOSSMDPE-JKSUJKDBSA-N 2 0 295.471 1.957 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]C/C=C/Cl)C1 ZINC001266032030 944643250 /nfs/dbraw/zinc/64/32/50/944643250.db2.gz OZKSFKQJZCLABJ-DIECRNLCSA-N 2 0 287.835 1.519 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CCOCC)[C@H]1C ZINC001332217052 945919287 /nfs/dbraw/zinc/91/92/87/945919287.db2.gz FXEWONJTFOHSAW-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC/C=C/C[NH2+]C/C=C\Cl)C1 ZINC001568919650 1169547106 /nfs/dbraw/zinc/54/71/06/1169547106.db2.gz FWHGHUXVHFGNRU-ZUBDVOCPSA-N 2 0 285.819 1.343 10 0 CDAERP OCCCOCC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC001262201732 946516559 /nfs/dbraw/zinc/51/65/59/946516559.db2.gz DJPVIAXJLSIHPS-CABCVRRESA-N 2 0 270.417 1.143 10 0 CDAERP CC[N@@H+]1C[C@H](C)N(Cc2[nH]c(C)nc2C)C[C@H]1C ZINC001262236488 946541021 /nfs/dbraw/zinc/54/10/21/946541021.db2.gz GJTUFLSFYRHJHW-MNOVXSKESA-N 2 0 250.390 1.941 10 0 CDAERP COCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001479225113 971265300 /nfs/dbraw/zinc/26/53/00/971265300.db2.gz MNQYDDNKEWSOAU-HUUCEWRRSA-N 2 0 297.443 1.040 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CCC3(C[NH+](C)C3)C2)C1 ZINC001362483689 971324853 /nfs/dbraw/zinc/32/48/53/971324853.db2.gz QRQIAYCSIOPKIV-CQSZACIVSA-N 2 0 279.428 1.271 10 0 CDAERP CC[NH2+][C@@H]1CCCCCN(C(=O)CCC[NH+](C)C)C1 ZINC001479691397 971368047 /nfs/dbraw/zinc/36/80/47/971368047.db2.gz CJARYVVNJDPPAD-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@H]1C ZINC001479708455 971377659 /nfs/dbraw/zinc/37/76/59/971377659.db2.gz NNDSNQLSCZWTIC-ILXRZTDVSA-N 2 0 281.444 1.850 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)C1CC1 ZINC001479870731 971464878 /nfs/dbraw/zinc/46/48/78/971464878.db2.gz MRELFCQDJDGQHW-HZPDHXFCSA-N 2 0 293.455 1.994 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)C1CC1 ZINC001479870732 971464965 /nfs/dbraw/zinc/46/49/65/971464965.db2.gz MRELFCQDJDGQHW-JKSUJKDBSA-N 2 0 293.455 1.994 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)CC[NH+](C)C ZINC001362673645 971516737 /nfs/dbraw/zinc/51/67/37/971516737.db2.gz PUYYEGAOYDXJAV-KBPBESRZSA-N 2 0 271.449 1.811 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CC12CC[NH+](CC1CC1)CC2 ZINC001479984336 971524141 /nfs/dbraw/zinc/52/41/41/971524141.db2.gz APJANFWFWLVETO-AWEZNQCLSA-N 2 0 279.428 1.319 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]C/C=C\Cl)C1 ZINC001480107364 971579529 /nfs/dbraw/zinc/57/95/29/971579529.db2.gz VNUADSDRVFHFCF-QGILPKKRSA-N 2 0 271.792 1.024 10 0 CDAERP CCC[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001569099248 1169644937 /nfs/dbraw/zinc/64/49/37/1169644937.db2.gz WLPFAWGTHVXCLU-UONOGXRCSA-N 2 0 269.433 1.611 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CC[C@@H](C[NH2+]CCF)C1 ZINC001480675054 971834789 /nfs/dbraw/zinc/83/47/89/971834789.db2.gz CIIDCGNCVYGJNB-ZDUSSCGKSA-N 2 0 273.396 1.126 10 0 CDAERP CO[C@@H](C)C[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001480742975 971855964 /nfs/dbraw/zinc/85/59/64/971855964.db2.gz UKPXUUQRSZWELH-LSDHHAIUSA-N 2 0 299.459 1.284 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001480818512 971893120 /nfs/dbraw/zinc/89/31/20/971893120.db2.gz NLYJLWRUOLNDJF-CABCVRRESA-N 2 0 281.444 1.851 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[C@H]1CCC[NH+]1CCF ZINC001480825711 971895243 /nfs/dbraw/zinc/89/52/43/971895243.db2.gz CICCOICIAQWXOO-UONOGXRCSA-N 2 0 285.407 1.411 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H](CC[NH+](C)C)C2)C1 ZINC001363566408 953462832 /nfs/dbraw/zinc/46/28/32/953462832.db2.gz YGEFSNASOUXJNO-CVEARBPZSA-N 2 0 295.471 1.907 10 0 CDAERP CCN(CCNC(=O)C[NH+]1CCCC1)Cc1cncs1 ZINC001493059019 971935292 /nfs/dbraw/zinc/93/52/92/971935292.db2.gz UPPFPKMUPLRBDV-UHFFFAOYSA-N 2 0 296.440 1.177 10 0 CDAERP CCC(CC)C[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001493130954 971957334 /nfs/dbraw/zinc/95/73/34/971957334.db2.gz HDUOWFYMECJCOP-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[N@H+](CCF)CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001493299073 972012686 /nfs/dbraw/zinc/01/26/86/972012686.db2.gz JNNXDSSDZPOIEJ-HUUCEWRRSA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)[N@H+](C)CCCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001327276373 954808260 /nfs/dbraw/zinc/80/82/60/954808260.db2.gz AILLLIKNAOIDFX-AWEZNQCLSA-N 2 0 269.433 1.517 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1C(=O)NCCC1CC[NH2+]CC1 ZINC001327449447 954883698 /nfs/dbraw/zinc/88/36/98/954883698.db2.gz NQRMUDGJAYULRC-CHWSQXEVSA-N 2 0 253.390 1.010 10 0 CDAERP CCN1C[C@H](C)[N@H+](C[C@H](C)CN2CCOCC2)C[C@H]1C ZINC001364686168 955026570 /nfs/dbraw/zinc/02/65/70/955026570.db2.gz UBLQKUPJHDAHJI-OAGGEKHMSA-N 2 0 283.460 1.369 10 0 CDAERP C[C@@H](CCNC(=O)CC[NH+](C)C)[NH2+]C/C=C/Cl ZINC001328400186 955285329 /nfs/dbraw/zinc/28/53/29/955285329.db2.gz QVOCTPIYKDCLES-ZPMKCOPCSA-N 2 0 261.797 1.175 10 0 CDAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC1CC(C)(C)C1 ZINC001491672400 955381359 /nfs/dbraw/zinc/38/13/59/955381359.db2.gz AGXVIKQBTDJDQK-ZDUSSCGKSA-N 2 0 281.444 1.613 10 0 CDAERP CCCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001491829363 955456946 /nfs/dbraw/zinc/45/69/46/955456946.db2.gz JUIAWLUBHLBBCA-XHSDSOJGSA-N 2 0 295.471 1.955 10 0 CDAERP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@@H](C[NH2+]CCCF)C1 ZINC001491806318 955472374 /nfs/dbraw/zinc/47/23/74/955472374.db2.gz YNNHFFNUCSJXNK-DZGCQCFKSA-N 2 0 297.418 1.126 10 0 CDAERP CC/C=C\CC[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001492068170 955604938 /nfs/dbraw/zinc/60/49/38/955604938.db2.gz VXVGKOXLARCJMM-JBZXTQMFSA-N 2 0 281.444 1.921 10 0 CDAERP CN(CC[NH2+]CC1CCCCC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001493762188 972112643 /nfs/dbraw/zinc/11/26/43/972112643.db2.gz RXMBVIJIGUUZMS-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP CCCC[NH2+][C@H](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001492110980 955633027 /nfs/dbraw/zinc/63/30/27/955633027.db2.gz XOSINIJOSMEZCW-KGLIPLIRSA-N 2 0 269.433 1.613 10 0 CDAERP CCC[NH2+][C@H](C)[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001329076588 955669500 /nfs/dbraw/zinc/66/95/00/955669500.db2.gz SGLRYCMTHLGDHO-CHWSQXEVSA-N 2 0 267.417 1.508 10 0 CDAERP CC[NH2+][C@H](C)[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001329155091 955724495 /nfs/dbraw/zinc/72/44/95/955724495.db2.gz ZEAACWFJXYQRBR-OLZOCXBDSA-N 2 0 269.433 1.610 10 0 CDAERP COC[C@H](C)[NH2+][C@H](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001493836064 972123660 /nfs/dbraw/zinc/12/36/60/972123660.db2.gz IPBYZTGMKHOQPA-UONOGXRCSA-N 2 0 299.459 1.190 10 0 CDAERP C[N@@H+](C[C@H]1CCC[C@@]2(CCOC2)O1)C[C@H]1CCC[NH+](C)C1 ZINC001365269254 955799563 /nfs/dbraw/zinc/79/95/63/955799563.db2.gz DRNVFAJLUWLUBW-BBWFWOEESA-N 2 0 296.455 1.988 10 0 CDAERP C[NH+](C)CCCC(=O)NCC[N@H+](C)C[C@@H]1CC(C)(C)CO1 ZINC001492392774 955859852 /nfs/dbraw/zinc/85/98/52/955859852.db2.gz ISKFDACEGHMBLY-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CCF)C1 ZINC001317342575 956192798 /nfs/dbraw/zinc/19/27/98/956192798.db2.gz YKAFNOOYOKCPCZ-LSDHHAIUSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)=CC[N@@H+](C)CCCNC(=O)CC[NH+](C)C ZINC001316846160 956262129 /nfs/dbraw/zinc/26/21/29/956262129.db2.gz WKVSDAIFSGKFBP-UHFFFAOYSA-N 2 0 255.406 1.342 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1C/C=C\Cl ZINC001365896913 956421595 /nfs/dbraw/zinc/42/15/95/956421595.db2.gz ZKGFIPLQQQOINU-ODBCZPJSSA-N 2 0 287.835 1.660 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001423131691 956613515 /nfs/dbraw/zinc/61/35/15/956613515.db2.gz PELPVJNKIHRVPH-GJZGRUSLSA-N 2 0 283.460 1.811 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]C/C=C\Cl)C1)[NH+](C)C ZINC001366166924 956614130 /nfs/dbraw/zinc/61/41/30/956614130.db2.gz FPZGLJYJVZODHM-AKVLOFAVSA-N 2 0 273.808 1.316 10 0 CDAERP CCC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001330823382 956652086 /nfs/dbraw/zinc/65/20/86/956652086.db2.gz WCNKZHKCMWJHSJ-UKRRQHHQSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)[NH2+]CC1CC(F)(F)C1)[NH+](C)C ZINC001366302018 956721368 /nfs/dbraw/zinc/72/13/68/956721368.db2.gz TYSJYWRGMTUHDY-ZYHUDNBSSA-N 2 0 291.386 1.466 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001366301430 956721518 /nfs/dbraw/zinc/72/15/18/956721518.db2.gz LECPBRJPKHFUDB-LSDHHAIUSA-N 2 0 283.460 1.857 10 0 CDAERP CCC[N@H+](C)CCCNC(=O)C[NH+](C)CC(C)(C)C ZINC001316851186 957070870 /nfs/dbraw/zinc/07/08/70/957070870.db2.gz RKEMGWCUMPAFHQ-UHFFFAOYSA-N 2 0 271.449 1.812 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[NH+](C)CCF)C1 ZINC001316844783 957073400 /nfs/dbraw/zinc/07/34/00/957073400.db2.gz YVHIRGBUQLLVQS-CQSZACIVSA-N 2 0 287.423 1.516 10 0 CDAERP CC[N@H+](C)CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001316854718 957075184 /nfs/dbraw/zinc/07/51/84/957075184.db2.gz UPKVHFYVKFPDAA-KGLIPLIRSA-N 2 0 267.417 1.461 10 0 CDAERP C[C@@H](F)CC[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CCC1 ZINC001424196562 957151644 /nfs/dbraw/zinc/15/16/44/957151644.db2.gz LUUOYZDCLFMLOC-CYBMUJFWSA-N 2 0 299.434 1.705 10 0 CDAERP CC(C)CC[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CCC1 ZINC001424225949 957161370 /nfs/dbraw/zinc/16/13/70/957161370.db2.gz QNEIXRXCPKBZJJ-UHFFFAOYSA-N 2 0 293.455 1.757 10 0 CDAERP C[N@H+](CCCF)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001366907549 957261215 /nfs/dbraw/zinc/26/12/15/957261215.db2.gz LUNBDVKACRXMER-KBPBESRZSA-N 2 0 285.407 1.221 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC=C(C)C)C1 ZINC001317090395 957263584 /nfs/dbraw/zinc/26/35/84/957263584.db2.gz SHRXERHZAYICGK-HDJSIYSDSA-N 2 0 267.417 1.531 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001317159253 957311194 /nfs/dbraw/zinc/31/11/94/957311194.db2.gz CPRCFMRVLBAZMI-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC[C@H]2CCCCO2)C1 ZINC001367015807 957340518 /nfs/dbraw/zinc/34/05/18/957340518.db2.gz PZLIJEQLKWGXFG-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP COCCC[NH2+]C1CCC(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001317221729 957351463 /nfs/dbraw/zinc/35/14/63/957351463.db2.gz QFLFKODEOGWZBQ-UHFFFAOYSA-N 2 0 299.459 1.380 10 0 CDAERP CCC(CC)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001425079457 957464273 /nfs/dbraw/zinc/46/42/73/957464273.db2.gz SZXWMKSNVXLNCE-DZGCQCFKSA-N 2 0 283.460 1.811 10 0 CDAERP CC[NH+](CC)CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001317481984 957505421 /nfs/dbraw/zinc/50/54/21/957505421.db2.gz OHTNGOAUOVTBTN-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[NH+](CCF)C[C@H]2C1 ZINC001425384123 957523353 /nfs/dbraw/zinc/52/33/53/957523353.db2.gz QFTNFEJPAYNOKI-RBSFLKMASA-N 2 0 299.434 1.514 10 0 CDAERP CN(CC[NH2+]CCC1CCCC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001317572561 957569263 /nfs/dbraw/zinc/56/92/63/957569263.db2.gz GQJPJBZVQGUFGX-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CCC(C)C ZINC001367123193 957693369 /nfs/dbraw/zinc/69/33/69/957693369.db2.gz GGEOHHDKKCODGK-LSDHHAIUSA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)N(CC[N@H+](C)CC1CC1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001426126137 957698898 /nfs/dbraw/zinc/69/88/98/957698898.db2.gz ALUIGQXHDAZRQW-OAHLLOKOSA-N 2 0 281.444 1.517 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CC(C)C1 ZINC001494684978 972287141 /nfs/dbraw/zinc/28/71/41/972287141.db2.gz DSNGJLFOYFTTKX-CKUJCDMFSA-N 2 0 293.455 1.658 10 0 CDAERP CC(C)CC[NH+]1CC(NC(=O)CCCC[NH+](C)C)C1 ZINC001318079426 957905782 /nfs/dbraw/zinc/90/57/82/957905782.db2.gz DZUPOFVQNLLNHW-UHFFFAOYSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001318338075 958045558 /nfs/dbraw/zinc/04/55/58/958045558.db2.gz KXCNOYQQFVTKIQ-CQSZACIVSA-N 2 0 279.428 1.627 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001367688974 958216070 /nfs/dbraw/zinc/21/60/70/958216070.db2.gz QNMJIFNNKATBKP-KBXIAJHMSA-N 2 0 283.460 1.857 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001367690413 958220349 /nfs/dbraw/zinc/22/03/49/958220349.db2.gz GLRDTNMIDGPXAJ-NEPJUHHUSA-N 2 0 273.396 1.171 10 0 CDAERP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C)cc1C ZINC001367695048 958223103 /nfs/dbraw/zinc/22/31/03/958223103.db2.gz GINCATFNYNMPDQ-OAHLLOKOSA-N 2 0 291.439 1.849 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)CC(C)C ZINC001367801869 958378792 /nfs/dbraw/zinc/37/87/92/958378792.db2.gz HKZZXSKPGXKSNW-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001367951774 958507080 /nfs/dbraw/zinc/50/70/80/958507080.db2.gz NOWJJSRQDJFFHM-CHWSQXEVSA-N 2 0 285.407 1.409 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001367963566 958520829 /nfs/dbraw/zinc/52/08/29/958520829.db2.gz TZHPANCYAZMJDQ-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001319833836 958744854 /nfs/dbraw/zinc/74/48/54/958744854.db2.gz UHOJGVBUPPEKDQ-KGLIPLIRSA-N 2 0 269.433 1.563 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1CCC[N@H+](CC(C)C)CC1)[NH+](C)C ZINC001368534316 958939791 /nfs/dbraw/zinc/93/97/91/958939791.db2.gz RKFKQZMJCRJMPL-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)(C(=O)N[C@H]1CCC[C@H]1C[NH2+]CCF)[NH+]1CCCC1 ZINC001320155141 958974132 /nfs/dbraw/zinc/97/41/32/958974132.db2.gz QGASYJOLKSGUCL-KBPBESRZSA-N 2 0 299.434 1.705 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CCC[C@H](C)O ZINC001368699556 959056550 /nfs/dbraw/zinc/05/65/50/959056550.db2.gz UETWXGSONSHEEZ-SOUVJXGZSA-N 2 0 299.459 1.068 10 0 CDAERP C[C@H](CC[NH2+]CCC(F)(F)F)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001320641631 959288809 /nfs/dbraw/zinc/28/88/09/959288809.db2.gz YPQMISSLEWEIPX-GHMZBOCLSA-N 2 0 295.349 1.375 10 0 CDAERP CC(C)[C@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](C(C)C)C[C@H]21)[NH+](C)C ZINC001369134312 959479575 /nfs/dbraw/zinc/47/95/75/959479575.db2.gz ADHRIEWROBOMHG-APIJFGDWSA-N 2 0 281.444 1.275 10 0 CDAERP Cc1ncoc1C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001369395506 959662829 /nfs/dbraw/zinc/66/28/29/959662829.db2.gz RAXOGXSLNNDHNF-OLZOCXBDSA-N 2 0 294.399 1.014 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]Cc2ccns2)CN1C(=O)CC[NH+](C)C ZINC001369404913 959668178 /nfs/dbraw/zinc/66/81/78/959668178.db2.gz OFMTUFSFATUGCZ-NEPJUHHUSA-N 2 0 296.440 1.174 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C)C1CC[NH+](CCOC)CC1)[NH+](C)C ZINC001369569895 959767790 /nfs/dbraw/zinc/76/77/90/959767790.db2.gz YGNFRRNOMCCOFO-ZFWWWQNUSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@H](C[NH2+]CCCC(C)(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001321740307 959926708 /nfs/dbraw/zinc/92/67/08/959926708.db2.gz VYKOOMLHYKWELC-ZIAGYGMSSA-N 2 0 283.460 1.859 10 0 CDAERP C[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]C/C=C/Cl)C2)CC1 ZINC001370662625 960177792 /nfs/dbraw/zinc/17/77/92/960177792.db2.gz DSXRJXPZHWBAQD-QPGWLVPRSA-N 2 0 285.819 1.318 10 0 CDAERP O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+]CC2CCC2)C1 ZINC001370738174 960192735 /nfs/dbraw/zinc/19/27/35/960192735.db2.gz WYYYHOAYZSIMIY-IYBDPMFKSA-N 2 0 293.455 1.899 10 0 CDAERP CC[C@H](C[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)OC ZINC001322570595 960264514 /nfs/dbraw/zinc/26/45/14/960264514.db2.gz SDDXRIGBQVJSJS-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP Cc1nc(C[NH2+]CCCN(C)C(=O)CC[NH+](C)C)c(C)o1 ZINC001322678820 960295811 /nfs/dbraw/zinc/29/58/11/960295811.db2.gz UYGLXWPZGMVYGI-UHFFFAOYSA-N 2 0 296.415 1.181 10 0 CDAERP CN(CCC[NH2+]CCC1CC1)C(=O)CC1CC[NH+](C)CC1 ZINC001322722305 960306107 /nfs/dbraw/zinc/30/61/07/960306107.db2.gz CNPUJPSWMMVJDT-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CC1CC[NH+](CCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001433611171 960447086 /nfs/dbraw/zinc/44/70/86/960447086.db2.gz GXUXYXQEQRTYKO-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+](C(C)C)C2)C1 ZINC001433628051 960468546 /nfs/dbraw/zinc/46/85/46/960468546.db2.gz WNMCGOSMRGLQCH-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP C(CC[NH+]1CCOCC1)C[NH2+]C[C@@H]1CCCOC1 ZINC001560270546 960913927 /nfs/dbraw/zinc/91/39/27/960913927.db2.gz ZHLPKQYDCLZRTF-AWEZNQCLSA-N 2 0 256.390 1.115 10 0 CDAERP CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001323814152 960982331 /nfs/dbraw/zinc/98/23/31/960982331.db2.gz XVAVNHQHTBNOIK-OAHLLOKOSA-N 2 0 267.417 1.273 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001418770106 961001846 /nfs/dbraw/zinc/00/18/46/961001846.db2.gz LXFMIHITTLTEHM-KBUPBQIOSA-N 2 0 299.434 1.703 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](CC3CCC3)CC[C@@H]2C1 ZINC001418774392 961011807 /nfs/dbraw/zinc/01/18/07/961011807.db2.gz CRXJETMILMDYFO-CVEARBPZSA-N 2 0 293.455 1.519 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1CC1CCC1 ZINC001418800785 961037374 /nfs/dbraw/zinc/03/73/74/961037374.db2.gz HUTCNXFPKGZSOZ-CJNGLKHVSA-N 2 0 293.455 1.850 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CC[C@@H](CCNC(=O)Cc2c[nH]cn2)C1 ZINC001418903028 961145946 /nfs/dbraw/zinc/14/59/46/961145946.db2.gz CRJMNSJSCBCPRK-CHWSQXEVSA-N 2 0 296.390 1.529 10 0 CDAERP C[N@@H+]1C[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)C(C)(C)C1 ZINC001434379430 961239279 /nfs/dbraw/zinc/23/92/79/961239279.db2.gz BWLIJHFGCPBHSQ-RDBSUJKOSA-N 2 0 279.428 1.460 10 0 CDAERP CC[C@@H](C)C[NH2+][C@@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001419279787 961577289 /nfs/dbraw/zinc/57/72/89/961577289.db2.gz DLHZVHDBOQTUQH-CJNGLKHVSA-N 2 0 295.471 1.859 10 0 CDAERP CC[N@H+](C)C[C@H](O)CN1C[C@H]([NH+]2CCCC2)C[C@@H]1C(C)C ZINC001434508667 961581085 /nfs/dbraw/zinc/58/10/85/961581085.db2.gz LKHXKETUOJYLCL-IXDOHACOSA-N 2 0 297.487 1.494 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccsc2)C1 ZINC001419420425 961679709 /nfs/dbraw/zinc/67/97/09/961679709.db2.gz WRKLJJYKBCYVMM-JOCQHMNTSA-N 2 0 281.425 1.437 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001436362539 962211957 /nfs/dbraw/zinc/21/19/57/962211957.db2.gz ANQOEAOLRVWXAV-HRCADAONSA-N 2 0 295.471 1.859 10 0 CDAERP C[C@@H](C[NH2+]CC1CC1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001420433641 962901599 /nfs/dbraw/zinc/90/15/99/962901599.db2.gz NPVZLQNFBJUEAR-ZDUSSCGKSA-N 2 0 279.428 1.367 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCC[NH+]2CC2CCC2)C1 ZINC001420493848 962977035 /nfs/dbraw/zinc/97/70/35/962977035.db2.gz MUMGJDQLCWXRPT-HOTGVXAUSA-N 2 0 293.455 1.709 10 0 CDAERP C[C@H](F)CC[N@H+](C)C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001420594830 963106246 /nfs/dbraw/zinc/10/62/46/963106246.db2.gz LNBJCBIZDBBYOA-KBPBESRZSA-N 2 0 299.434 1.799 10 0 CDAERP C[C@H](CN(C)Cc1ccns1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001420660278 963165511 /nfs/dbraw/zinc/16/55/11/963165511.db2.gz MBYCGFUNKDXWFE-VXGBXAGGSA-N 2 0 296.440 1.031 10 0 CDAERP C[C@@H]([NH2+]CCF)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001420763842 963227620 /nfs/dbraw/zinc/22/76/20/963227620.db2.gz YJBCWYNGFLHOPH-ZIAGYGMSSA-N 2 0 299.434 1.514 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001437950657 963254801 /nfs/dbraw/zinc/25/48/01/963254801.db2.gz XBDQSLYWBYFEDV-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@@H](F)CC[NH+]1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001421177021 963485191 /nfs/dbraw/zinc/48/51/91/963485191.db2.gz WVSAQSWSPGUAFY-GFCCVEGCSA-N 2 0 273.396 1.124 10 0 CDAERP O=C(NCC1([NH2+]CCF)CCCC1)[C@H]1C[NH+]2CCC1CC2 ZINC001438594588 963493119 /nfs/dbraw/zinc/49/31/19/963493119.db2.gz IKVIVCUXLRVVNA-AWEZNQCLSA-N 2 0 297.418 1.316 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001421212579 963502030 /nfs/dbraw/zinc/50/20/30/963502030.db2.gz VMQJMHOQPJYJKE-GXTWGEPZSA-N 2 0 273.396 1.267 10 0 CDAERP Cc1cc(C[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+](C)C)sn1 ZINC001438691850 963526679 /nfs/dbraw/zinc/52/66/79/963526679.db2.gz MFKWXKTWHNSWSJ-GFCCVEGCSA-N 2 0 298.456 1.340 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]C[C@H]1CCCCO1 ZINC001438716846 963533571 /nfs/dbraw/zinc/53/35/71/963533571.db2.gz UMTSGFZOQOHLBV-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CC1CC1 ZINC001439344201 963732142 /nfs/dbraw/zinc/73/21/42/963732142.db2.gz BPLPSCUKYRBNQL-HOCLYGCPSA-N 2 0 295.471 1.953 10 0 CDAERP Cc1cccnc1C[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001439358635 963736859 /nfs/dbraw/zinc/73/68/59/963736859.db2.gz AMUDOAGZWQWVTH-CQSZACIVSA-N 2 0 292.427 1.278 10 0 CDAERP CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1CC1CC1)[NH+]1CCCC1 ZINC001439570499 963806229 /nfs/dbraw/zinc/80/62/29/963806229.db2.gz JFIQPCSPSOKHJR-HOTGVXAUSA-N 2 0 293.455 1.707 10 0 CDAERP CC(C)C[NH2+]C[C@]1(C)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001439903190 963891774 /nfs/dbraw/zinc/89/17/74/963891774.db2.gz NYKHQVAYSUCDGO-WBVHZDCISA-N 2 0 295.471 1.812 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](C[NH2+]CC2CC2)C1 ZINC001440135626 963933474 /nfs/dbraw/zinc/93/34/74/963933474.db2.gz LGRVDLZSOOEVAY-GOEBONIOSA-N 2 0 295.471 1.812 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1CCCF ZINC001440454044 964055711 /nfs/dbraw/zinc/05/57/11/964055711.db2.gz QMUFFHGJNIMJJN-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1ccsc1 ZINC001440849017 964206754 /nfs/dbraw/zinc/20/67/54/964206754.db2.gz ZKXHDLYOHWEQOX-RYUDHWBXSA-N 2 0 283.441 1.683 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)[NH+](C)C(C)C)C1 ZINC001440963875 964295061 /nfs/dbraw/zinc/29/50/61/964295061.db2.gz SECRUSDYGFAOMW-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001441227870 964428585 /nfs/dbraw/zinc/42/85/85/964428585.db2.gz OOPFDWNQAPVKQZ-INIZCTEOSA-N 2 0 297.443 1.042 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001441371488 964474573 /nfs/dbraw/zinc/47/45/73/964474573.db2.gz SHFFYVLHCWRWLG-JHJVBQTASA-N 2 0 273.396 1.171 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001441634283 964626519 /nfs/dbraw/zinc/62/65/19/964626519.db2.gz VXTGINUWZHOOLQ-LSDHHAIUSA-N 2 0 281.444 1.851 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCC1CCCC1 ZINC001441796796 964720303 /nfs/dbraw/zinc/72/03/03/964720303.db2.gz YDSLOKPREYVZEQ-HIFRSBDPSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001442106060 964870868 /nfs/dbraw/zinc/87/08/68/964870868.db2.gz PRDUZBJJKYRIAA-CABCVRRESA-N 2 0 299.434 1.657 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)C1CC[NH+](C(C)C)CC1 ZINC001442202047 964912260 /nfs/dbraw/zinc/91/22/60/964912260.db2.gz AYRIJWSSBKBKBZ-CQSZACIVSA-N 2 0 283.460 1.953 10 0 CDAERP CCC[NH+]1CCC([C@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001442215499 964926871 /nfs/dbraw/zinc/92/68/71/964926871.db2.gz JFSRZSFBMGDSFP-GJZGRUSLSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCC(F)(F)F ZINC001444038036 965721002 /nfs/dbraw/zinc/72/10/02/965721002.db2.gz LKYZVWNNIVAIIQ-QWRGUYRKSA-N 2 0 295.349 1.375 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C[NH2+]CC1CC1 ZINC001444310209 965789568 /nfs/dbraw/zinc/78/95/68/965789568.db2.gz ODZBGHPINYJHFE-DOMZBBRYSA-N 2 0 279.428 1.080 10 0 CDAERP CC(C)[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[NH2+]CC1CC1 ZINC001444874385 965987016 /nfs/dbraw/zinc/98/70/16/965987016.db2.gz OKWSFMKGJRCDTD-HZPDHXFCSA-N 2 0 295.471 2.000 10 0 CDAERP CC[C@H](F)C[NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001444937751 966015235 /nfs/dbraw/zinc/01/52/35/966015235.db2.gz NEVRZRRTVOFVHL-UONOGXRCSA-N 2 0 299.434 1.561 10 0 CDAERP Cc1cc(C[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C(C)C)sn1 ZINC001445652774 966267881 /nfs/dbraw/zinc/26/78/81/966267881.db2.gz DGHKEWLVGFZXNP-LBPRGKRZSA-N 2 0 298.456 1.386 10 0 CDAERP CCCC[N@@H+]1CC[C@@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001446120511 966454388 /nfs/dbraw/zinc/45/43/88/966454388.db2.gz ZUJLILVINMFZOS-CQSZACIVSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@@H](F)CC[NH2+]C1(CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001446247828 966494925 /nfs/dbraw/zinc/49/49/25/966494925.db2.gz ULLMBLBMNAHCBR-CYBMUJFWSA-N 2 0 299.434 1.705 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC(CC)([NH2+]C[C@@H](C)O)CC1 ZINC001447424912 966784184 /nfs/dbraw/zinc/78/41/84/966784184.db2.gz QSLOWBNLSLHFFI-CQSZACIVSA-N 2 0 299.459 1.070 10 0 CDAERP CC[NH2+]CC1CC(NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001447822238 966888912 /nfs/dbraw/zinc/88/89/12/966888912.db2.gz JDLUCPUIYOIAKK-NRXISQOPSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@@H](NC(=O)C12CCC[NH+]1CCC2)[C@H](C)[NH2+]CCF ZINC001447872185 966911155 /nfs/dbraw/zinc/91/11/55/966911155.db2.gz FGKSCQUNFBUVDS-NWDGAFQWSA-N 2 0 271.380 1.067 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[N@H+](C)C[C@H]1CC(C)(C)CO1 ZINC001448082968 966989320 /nfs/dbraw/zinc/98/93/20/966989320.db2.gz INBBBBHDSRLRES-UONOGXRCSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001539828471 967110188 /nfs/dbraw/zinc/11/01/88/967110188.db2.gz LJINVSJSLADIGU-RBSFLKMASA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccns1 ZINC001448779342 967251785 /nfs/dbraw/zinc/25/17/85/967251785.db2.gz QUQCYEVXGPZAIN-LBPRGKRZSA-N 2 0 298.456 1.420 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]Cc2cncs2)CN1C(=O)CC[NH+](C)C ZINC001449017046 967334516 /nfs/dbraw/zinc/33/45/16/967334516.db2.gz IKERJKVMUXMBIE-NEPJUHHUSA-N 2 0 296.440 1.174 10 0 CDAERP CN(CCCC[NH+](C)C)C(=O)C12CCC[NH+]1CCC2 ZINC001544336151 967354817 /nfs/dbraw/zinc/35/48/17/967354817.db2.gz RQKFCBGUVMMXFA-UHFFFAOYSA-N 2 0 267.417 1.415 10 0 CDAERP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]C/C=C/Cl)C1 ZINC001449410829 967453924 /nfs/dbraw/zinc/45/39/24/967453924.db2.gz LZMQPOWKHMMZJF-NHYJPDLGSA-N 2 0 285.819 1.270 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC1CCCCC1 ZINC001480437632 967648222 /nfs/dbraw/zinc/64/82/22/967648222.db2.gz JLJYRWFEOHGAPG-ZFWWWQNUSA-N 2 0 281.444 1.755 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000848557701 969172330 /nfs/dbraw/zinc/17/23/30/969172330.db2.gz JMRCRQOYFBAVQC-MELADBBJSA-N 2 0 297.443 1.926 10 0 CDAERP O=C1O[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CN1C1CC1 ZINC000848721145 969256180 /nfs/dbraw/zinc/25/61/80/969256180.db2.gz IDLWMHSIRPAQIP-LXTVHRRPSA-N 2 0 293.411 1.480 10 0 CDAERP CC[C@H](CNC(=[NH2+])N1CCO[C@@H](C)C1)[NH+]1CCCC1 ZINC000848986496 969381806 /nfs/dbraw/zinc/38/18/06/969381806.db2.gz YQTFQAPSXRQPFX-QWHCGFSZSA-N 2 0 268.405 1.106 10 0 CDAERP C[C@H](CNC(=O)CCCn1ccnc1)[N@@H+]1CCC[C@H](C)C1 ZINC001464152490 969772043 /nfs/dbraw/zinc/77/20/43/969772043.db2.gz NKICGGRLKKOEBF-LSDHHAIUSA-N 2 0 292.427 1.900 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC001464196732 969775553 /nfs/dbraw/zinc/77/55/53/969775553.db2.gz KAKTUENHMOPZJL-RBSFLKMASA-N 2 0 283.460 1.953 10 0 CDAERP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCOCC12CCCC2 ZINC001414055908 969896764 /nfs/dbraw/zinc/89/67/64/969896764.db2.gz QAHTUJFDMKSESW-ZIAGYGMSSA-N 2 0 270.417 1.238 10 0 CDAERP CCN(C(=O)[C@H](C)CC[NH+](C)C)[C@@H]1CC[N@H+](C)C1 ZINC001470060296 970286642 /nfs/dbraw/zinc/28/66/42/970286642.db2.gz PAVBYUSUJPNYAQ-CHWSQXEVSA-N 2 0 255.406 1.127 10 0 CDAERP C[C@@H]1CCC[N@H+](CCNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001361648265 970380757 /nfs/dbraw/zinc/38/07/57/970380757.db2.gz VGGCLNVVNQOZSF-PMPSAXMXSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CCC[C@H]([NH+](C)C)C2)C1 ZINC001361755976 970496207 /nfs/dbraw/zinc/49/62/07/970496207.db2.gz ZGGCYYWTYUOCLC-ZNMIVQPWSA-N 2 0 281.444 1.659 10 0 CDAERP C[NH+](C)C1(C(=O)N2CCC([NH2+]C3CCC3)CC2)CCCC1 ZINC001472265600 970611378 /nfs/dbraw/zinc/61/13/78/970611378.db2.gz CCMJNKKOKFHGBR-UHFFFAOYSA-N 2 0 293.455 1.994 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C[NH2+]C/C=C/Cl ZINC001495690444 972596022 /nfs/dbraw/zinc/59/60/22/972596022.db2.gz DDITWCSIKRKJMK-MVTQWGDUSA-N 2 0 287.835 1.565 10 0 CDAERP COCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001496056346 972779016 /nfs/dbraw/zinc/77/90/16/972779016.db2.gz QMGYUQPOSNVXKV-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP CC[C@@H](C(=O)NCC[N@H+](C)CCc1ccns1)[NH+](C)C ZINC001372110689 972793306 /nfs/dbraw/zinc/79/33/06/972793306.db2.gz RCRIHMBYTSTRNX-ZDUSSCGKSA-N 2 0 298.456 1.074 10 0 CDAERP CCC[N@H+](C)CCC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001496509672 972946048 /nfs/dbraw/zinc/94/60/48/972946048.db2.gz WXSRXRDMVUVVEC-UHFFFAOYSA-N 2 0 283.460 1.909 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1ocnc1C)[NH+](C)C ZINC001497307309 973283814 /nfs/dbraw/zinc/28/38/14/973283814.db2.gz KEZMTRSKGCFSSS-YPMHNXCESA-N 2 0 296.415 1.308 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001417777811 973376183 /nfs/dbraw/zinc/37/61/83/973376183.db2.gz LTWCFDALITYZFY-MCIONIFRSA-N 2 0 287.423 1.559 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CCC(C)C)C1 ZINC001373385420 973408671 /nfs/dbraw/zinc/40/86/71/973408671.db2.gz GPMCNDAOQWSJAZ-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[NH+](C)CC(=O)N(C)[C@@H]1CC[N@@H+](CCC[C@@H](C)O)C1 ZINC001373694293 973570888 /nfs/dbraw/zinc/57/08/88/973570888.db2.gz GDFNRUCQMBUZTD-HUUCEWRRSA-N 2 0 299.459 1.020 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001418098892 973583998 /nfs/dbraw/zinc/58/39/98/973583998.db2.gz VWIKWKWDLVMNOL-IGQOVBAYSA-N 2 0 285.407 1.456 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)COC)C1 ZINC001418115054 973593844 /nfs/dbraw/zinc/59/38/44/973593844.db2.gz YEFLPGCUIAUITK-XQLPTFJDSA-N 2 0 297.443 1.133 10 0 CDAERP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001418164078 973617936 /nfs/dbraw/zinc/61/79/36/973617936.db2.gz QBFDGOHCYOELKJ-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](C[NH2+]CC1CCCC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001498020972 973624415 /nfs/dbraw/zinc/62/44/15/973624415.db2.gz AGVQTHLOJBTHTK-JSGCOSHPSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@@H](F)CC[NH2+]C1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001418186590 973632354 /nfs/dbraw/zinc/63/23/54/973632354.db2.gz VMCXRYMUZJDHEM-IYXRBSQSSA-N 2 0 287.423 1.703 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2CC([NH+]3CCCC3)C2)C1 ZINC001418407601 973803284 /nfs/dbraw/zinc/80/32/84/973803284.db2.gz WZAOAAPEDPBPJU-KGLIPLIRSA-N 2 0 279.428 1.413 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001418472287 973877626 /nfs/dbraw/zinc/87/76/26/973877626.db2.gz ZEIYXWGSTIWXLX-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CC/C=C\CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001498450750 973920954 /nfs/dbraw/zinc/92/09/54/973920954.db2.gz TUARLSVLJCEBRJ-NHQLZKDQSA-N 2 0 281.444 1.731 10 0 CDAERP CC(C)C[NH2+]CCCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001498658052 974012878 /nfs/dbraw/zinc/01/28/78/974012878.db2.gz LYNLKULNZCXZAZ-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]CC2CCC2)CC[N@@H+]1C ZINC001374889008 974169467 /nfs/dbraw/zinc/16/94/67/974169467.db2.gz FTKGJVVELJGTIS-AEGPPILISA-N 2 0 281.444 1.611 10 0 CDAERP CC[C@H](F)C[N@H+](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001375050992 974242496 /nfs/dbraw/zinc/24/24/96/974242496.db2.gz ACSWPFCLMARRRL-OLZOCXBDSA-N 2 0 287.423 1.655 10 0 CDAERP O=C(NCC1([NH2+]CCC2CC2)CC1)C12CC[NH+](CC1)C2 ZINC001499421947 974251694 /nfs/dbraw/zinc/25/16/94/974251694.db2.gz RSKOLNJEEFYCJC-UHFFFAOYSA-N 2 0 277.412 1.121 10 0 CDAERP C[C@@H](C[N@H+](C)CCCF)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001375091784 974256469 /nfs/dbraw/zinc/25/64/69/974256469.db2.gz CVEPDVSZUCWKKI-IHRRRGAJSA-N 2 0 287.423 1.513 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CC[C@]2(CC[N@H+](CCF)C2)C1 ZINC001499617148 974274748 /nfs/dbraw/zinc/27/47/48/974274748.db2.gz XHDLVAQOZIIQPL-INIZCTEOSA-N 2 0 299.434 1.612 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001499610373 974274882 /nfs/dbraw/zinc/27/48/82/974274882.db2.gz PFRAQJYLJQCGFM-ZBFHGGJFSA-N 2 0 299.434 1.611 10 0 CDAERP CC(C)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001499857885 974316664 /nfs/dbraw/zinc/31/66/64/974316664.db2.gz OWYBXZSGIAZTCO-HUUCEWRRSA-N 2 0 283.460 1.952 10 0 CDAERP CCCC[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001375332756 974341138 /nfs/dbraw/zinc/34/11/38/974341138.db2.gz CAJNEFPDYCNQJY-CQSZACIVSA-N 2 0 281.444 1.851 10 0 CDAERP CC[C@H](F)C[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001375454991 974388210 /nfs/dbraw/zinc/38/82/10/974388210.db2.gz RYUWHMDGSAEUKA-ZDUSSCGKSA-N 2 0 299.434 1.847 10 0 CDAERP CC[C@H](F)C[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001375531200 974406023 /nfs/dbraw/zinc/40/60/23/974406023.db2.gz QTOTWRCBYMQWPJ-QWHCGFSZSA-N 2 0 287.423 1.559 10 0 CDAERP C[NH+]1CCC(C(=O)N2CC[C@@](C)(C[NH2+]CCCF)C2)CC1 ZINC001500377012 974429793 /nfs/dbraw/zinc/42/97/93/974429793.db2.gz YMMMEYDFNIDWSO-INIZCTEOSA-N 2 0 299.434 1.516 10 0 CDAERP C[C@H]([NH2+]CCF)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001501084034 974530045 /nfs/dbraw/zinc/53/00/45/974530045.db2.gz OZVXUBZOEKBKDB-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@@H]([NH2+]CCF)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001501084033 974530179 /nfs/dbraw/zinc/53/01/79/974530179.db2.gz OZVXUBZOEKBKDB-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP CCOCC[NH2+][C@H](C)[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001501093217 974531708 /nfs/dbraw/zinc/53/17/08/974531708.db2.gz XIISGLYBAUGKMQ-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP CCOCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001501093218 974531718 /nfs/dbraw/zinc/53/17/18/974531718.db2.gz XIISGLYBAUGKMQ-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001376367849 974643753 /nfs/dbraw/zinc/64/37/53/974643753.db2.gz CVAAUDYWFSLOCD-XVIXHAIJSA-N 2 0 285.407 1.312 10 0 CDAERP C[NH+](C)CCC(=O)NCC1([NH2+]Cc2ccsc2)CCC1 ZINC001501995679 974670626 /nfs/dbraw/zinc/67/06/26/974670626.db2.gz COAZXHCYWWSBCC-UHFFFAOYSA-N 2 0 295.452 1.828 10 0 CDAERP CC[C@H](F)C[NH2+][C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001376790619 974769617 /nfs/dbraw/zinc/76/96/17/974769617.db2.gz IFAOTDSJOKIXSM-NEPJUHHUSA-N 2 0 273.396 1.171 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]([NH+](C)CCCF)C2)C1 ZINC001376984598 974838367 /nfs/dbraw/zinc/83/83/67/974838367.db2.gz XMSJKQQLKQCIQS-CABCVRRESA-N 2 0 299.434 1.611 10 0 CDAERP CC[C@H](F)C[NH2+][C@H](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001377038320 974864748 /nfs/dbraw/zinc/86/47/48/974864748.db2.gz XYVHHBLPODPXMJ-OLZOCXBDSA-N 2 0 287.423 1.703 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)C(C)C ZINC001505466078 974887029 /nfs/dbraw/zinc/88/70/29/974887029.db2.gz RTDLAUXUDLMCPH-AWEZNQCLSA-N 2 0 269.433 1.659 10 0 CDAERP CC[N@H+](C)CCC(=O)NCC[NH+](C)C[C@@H]1CCO[C@H](C)C1 ZINC001377239798 974942963 /nfs/dbraw/zinc/94/29/63/974942963.db2.gz CFLNMBDFHFLJQD-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)[NH2+][C@@H](C)[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001505715971 974971346 /nfs/dbraw/zinc/97/13/46/974971346.db2.gz BDBZLSZSUZTLMX-KBPBESRZSA-N 2 0 269.433 1.610 10 0 CDAERP CC[NH2+]CC(C)(C)CN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001505841714 974999555 /nfs/dbraw/zinc/99/95/55/974999555.db2.gz LOEFJXURHOWKBZ-UHFFFAOYSA-N 2 0 299.459 1.191 10 0 CDAERP CCCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001377672201 975107070 /nfs/dbraw/zinc/10/70/70/975107070.db2.gz FENGBMMZFNXBJU-JKSUJKDBSA-N 2 0 295.471 1.907 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@H]([NH2+]CC[C@@H](C)F)C1)[NH+](C)C ZINC001377799833 975141624 /nfs/dbraw/zinc/14/16/24/975141624.db2.gz VFFSPLVWLMFEHD-HZSPNIEDSA-N 2 0 287.423 1.655 10 0 CDAERP CC(C)[NH2+]CC1(NC(=O)C23CC[NH+](CC2)C3)CCCCC1 ZINC001506520998 975173155 /nfs/dbraw/zinc/17/31/55/975173155.db2.gz AJXPAHSFKKKHPH-UHFFFAOYSA-N 2 0 293.455 1.899 10 0 CDAERP CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001506826991 975225327 /nfs/dbraw/zinc/22/53/27/975225327.db2.gz XOEAIBAYJWMGBV-ZSOGYDGISA-N 2 0 267.417 1.032 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001378111056 975246112 /nfs/dbraw/zinc/24/61/12/975246112.db2.gz FQUMEMIRAUGAQV-QWHCGFSZSA-N 2 0 285.407 1.409 10 0 CDAERP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccccn1 ZINC001378338368 975332536 /nfs/dbraw/zinc/33/25/36/975332536.db2.gz OPTOIUXSZIZKCH-AWEZNQCLSA-N 2 0 290.411 1.162 10 0 CDAERP CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]C/C=C\Cl ZINC001378344412 975335828 /nfs/dbraw/zinc/33/58/28/975335828.db2.gz SYYZPDUZTKWDAT-DGMVEKRQSA-N 2 0 275.824 1.564 10 0 CDAERP C[N@H+](C/C=C\Cl)C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001404590584 975429991 /nfs/dbraw/zinc/42/99/91/975429991.db2.gz QBOCUBURNKFYHW-KXQLTZBTSA-N 2 0 299.846 1.615 10 0 CDAERP CC1CC(C[NH2+]C[C@@](C)(NC(=O)CC[NH+](C)C)C2CC2)C1 ZINC001401000217 975431587 /nfs/dbraw/zinc/43/15/87/975431587.db2.gz BOCAKIYLYFUWMZ-MQBCKMQZSA-N 2 0 295.471 1.859 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@H]2CC[NH+]2CCCF)C1 ZINC001397009019 975435302 /nfs/dbraw/zinc/43/53/02/975435302.db2.gz DCDQEGFZQHVLFB-ZIAGYGMSSA-N 2 0 285.407 1.221 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]CCF)C1 ZINC001397164475 975483552 /nfs/dbraw/zinc/48/35/52/975483552.db2.gz ISDJWSNMMXTIQC-QWHCGFSZSA-N 2 0 273.396 1.171 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC1CC1 ZINC001378786345 975491795 /nfs/dbraw/zinc/49/17/95/975491795.db2.gz IVXSDHGVBQRKQK-GOEBONIOSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]C/C=C/Cl ZINC001379000895 975584063 /nfs/dbraw/zinc/58/40/63/975584063.db2.gz QQEYSTMKOJMDLE-VUUYWXRKSA-N 2 0 299.846 1.565 10 0 CDAERP CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)[NH2+]Cc1cccnc1 ZINC001405271008 975699242 /nfs/dbraw/zinc/69/92/42/975699242.db2.gz SQMRFRSHODHNRY-HUUCEWRRSA-N 2 0 292.427 1.406 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cnc(C)o1 ZINC001405281967 975704807 /nfs/dbraw/zinc/70/48/07/975704807.db2.gz YAPQLTUDUGBITI-TZMCWYRMSA-N 2 0 294.399 1.062 10 0 CDAERP Cc1cnc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)s1 ZINC001401617487 975739476 /nfs/dbraw/zinc/73/94/76/975739476.db2.gz AOJVLKUTPZIRPT-PWSUYJOCSA-N 2 0 296.440 1.140 10 0 CDAERP CCc1nc(C)c(C[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C)o1 ZINC001401636394 975752653 /nfs/dbraw/zinc/75/26/53/975752653.db2.gz BWDBPCOEUJGHRG-LLVKDONJSA-N 2 0 296.415 1.091 10 0 CDAERP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]Cc1ccsc1 ZINC001379326155 975767794 /nfs/dbraw/zinc/76/77/94/975767794.db2.gz MSZPXORHZOVMCU-CYBMUJFWSA-N 2 0 295.452 1.780 10 0 CDAERP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]Cc1ccccc1 ZINC001379332092 975771874 /nfs/dbraw/zinc/77/18/74/975771874.db2.gz YGXRFKPCQMVFIU-OAHLLOKOSA-N 2 0 289.423 1.719 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C)C[N@H+](C)CC1CCCC1)[NH+](C)C ZINC001401793105 975920747 /nfs/dbraw/zinc/92/07/47/975920747.db2.gz BFMIMIDDWWDTDL-HIFRSBDPSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001379590099 975938381 /nfs/dbraw/zinc/93/83/81/975938381.db2.gz DUQQTXIUDUYYAM-GOEBONIOSA-N 2 0 295.471 1.953 10 0 CDAERP CC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C1CC1 ZINC001389674978 975949505 /nfs/dbraw/zinc/94/95/05/975949505.db2.gz LPDFJJPWJIGJLK-HUUCEWRRSA-N 2 0 281.444 1.754 10 0 CDAERP CC(C)[NH2+][C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001398392431 975968175 /nfs/dbraw/zinc/96/81/75/975968175.db2.gz KPYUAVSEPBKXEC-CABCVRRESA-N 2 0 281.444 1.754 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001389768879 975977738 /nfs/dbraw/zinc/97/77/38/975977738.db2.gz BKBAADQOHQPKLN-KBPBESRZSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001389798555 975995429 /nfs/dbraw/zinc/99/54/29/975995429.db2.gz AQKHQKVXJKQKIK-AVGNSLFASA-N 2 0 273.396 1.265 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]C/C=C/Cl)C1 ZINC001398505533 976013246 /nfs/dbraw/zinc/01/32/46/976013246.db2.gz OZOQPCDBQITDLG-YUZRODSESA-N 2 0 285.819 1.414 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H](C)OC)C1 ZINC001390022758 976089285 /nfs/dbraw/zinc/08/92/85/976089285.db2.gz AEDUUMZOPOPKTC-APIJFGDWSA-N 2 0 297.443 1.133 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]C/C=C/Cl)CCN1C(=O)C[NH+]1CCCC1 ZINC001402063475 976105456 /nfs/dbraw/zinc/10/54/56/976105456.db2.gz PENAJWYUICNEDR-IOKDEZFASA-N 2 0 299.846 1.804 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC[C@H](C)F)C1 ZINC001402234688 976192766 /nfs/dbraw/zinc/19/27/66/976192766.db2.gz QPNQWDYWNSSVLO-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP C[C@H](F)CC[NH2+][C@H](CNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001402307463 976229056 /nfs/dbraw/zinc/22/90/56/976229056.db2.gz FULVMUZTVVPOHM-GXTWGEPZSA-N 2 0 299.434 1.703 10 0 CDAERP Cc1ccccc1C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001406563813 976257329 /nfs/dbraw/zinc/25/73/29/976257329.db2.gz QTQWKPWPBSWPTC-GOEBONIOSA-N 2 0 289.423 1.541 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N(C)C2CC([NH2+]C/C=C/Cl)C2)C1 ZINC001380173008 976277723 /nfs/dbraw/zinc/27/77/23/976277723.db2.gz UVUMXGRYOUTETA-KJMZVRIGSA-N 2 0 299.846 1.660 10 0 CDAERP Cc1ncsc1C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001402444418 976289160 /nfs/dbraw/zinc/28/91/60/976289160.db2.gz LJRHNKWUDCEOPU-LBPRGKRZSA-N 2 0 296.440 1.094 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001399111571 976345504 /nfs/dbraw/zinc/34/55/04/976345504.db2.gz LPLNZWFOMVNPKZ-GJZGRUSLSA-N 2 0 299.459 1.095 10 0 CDAERP CCC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCC1 ZINC001402568430 976368118 /nfs/dbraw/zinc/36/81/18/976368118.db2.gz AQZBLDSATFOSJD-KBPBESRZSA-N 2 0 281.444 1.755 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@]1(C)CC[NH+](C[C@H](C)CC)C1 ZINC001380386893 976401579 /nfs/dbraw/zinc/40/15/79/976401579.db2.gz XCDMKGXOMNVPRV-ZBFHGGJFSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001406897797 976467283 /nfs/dbraw/zinc/46/72/83/976467283.db2.gz GMBMGGUKKXWTNO-STQMWFEESA-N 2 0 271.380 1.021 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC[N@H+](C)CCCF)C1 ZINC001399639083 976614021 /nfs/dbraw/zinc/61/40/21/976614021.db2.gz IQHNMNYFGSYJOX-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP CC[C@@H](F)C[N@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001399697622 976638072 /nfs/dbraw/zinc/63/80/72/976638072.db2.gz ZMHKJILNKPCPIP-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP Cc1nc(C[NH2+][C@H](C)CNC(=O)CC[NH+](C)C)sc1C ZINC001402985076 976644654 /nfs/dbraw/zinc/64/46/54/976644654.db2.gz BAVFYXWZZFWVBV-SNVBAGLBSA-N 2 0 298.456 1.306 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)CCOC ZINC001399783484 976679619 /nfs/dbraw/zinc/67/96/19/976679619.db2.gz FBTMLCHYEWARLB-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CCC[N@H+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)C1CC1 ZINC001391183387 976747462 /nfs/dbraw/zinc/74/74/62/976747462.db2.gz KXRUACAAXFOLBD-HZPDHXFCSA-N 2 0 293.455 1.994 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)CCC(F)(F)F ZINC001403199970 976809206 /nfs/dbraw/zinc/80/92/06/976809206.db2.gz LIWCHLRWPJYWQG-QWRGUYRKSA-N 2 0 295.349 1.327 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)Cc1ccsc1 ZINC001403206538 976814637 /nfs/dbraw/zinc/81/46/37/976814637.db2.gz SUUGIJGAZARDBX-TZMCWYRMSA-N 2 0 295.452 1.636 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ocnc1C ZINC001381449229 976833733 /nfs/dbraw/zinc/83/37/33/976833733.db2.gz YDFGFSVVOGQSMJ-VXGBXAGGSA-N 2 0 296.415 1.308 10 0 CDAERP CCC1([NH2+]CC2CC2)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001408008153 976866596 /nfs/dbraw/zinc/86/65/96/976866596.db2.gz YKXAIRXCUHZISN-UHFFFAOYSA-N 2 0 293.455 1.853 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H]1C[N@H+](CC2CC2)CC1(C)C)[NH+](C)C ZINC001403366890 976916900 /nfs/dbraw/zinc/91/69/00/976916900.db2.gz QSPLKMMGNWHIAZ-GJZGRUSLSA-N 2 0 295.471 1.809 10 0 CDAERP CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001403399596 976931137 /nfs/dbraw/zinc/93/11/37/976931137.db2.gz CIMYWJWHHFQUJA-PHZGNYQRSA-N 2 0 293.455 1.566 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCF)[C@H]2C1 ZINC001403775710 977186851 /nfs/dbraw/zinc/18/68/51/977186851.db2.gz WNVGILRPKYADPE-MELADBBJSA-N 2 0 285.407 1.124 10 0 CDAERP C[C@@H](C[NH2+]CC1CCCC1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001392107081 977222387 /nfs/dbraw/zinc/22/23/87/977222387.db2.gz AOFAQZCVSJAUAD-AWEZNQCLSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@H+](C)C[C@@H](O)CN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001403921347 977264598 /nfs/dbraw/zinc/26/45/98/977264598.db2.gz VQSFUZVMLKJHNO-OAHLLOKOSA-N 2 0 299.459 1.024 10 0 CDAERP CC(C)[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CC1CC1 ZINC001392215405 977265463 /nfs/dbraw/zinc/26/54/63/977265463.db2.gz CFSUZFNSLOJGCD-HZPDHXFCSA-N 2 0 293.455 1.469 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001404020718 977309070 /nfs/dbraw/zinc/30/90/70/977309070.db2.gz WTRBMFMUASKQJM-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCC[NH+]2CCCF)C1 ZINC001404090817 977334234 /nfs/dbraw/zinc/33/42/34/977334234.db2.gz KNIZTLWPEXCMIO-KGLIPLIRSA-N 2 0 285.407 1.268 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCC[NH+]2CCCF)C1 ZINC001404090810 977334481 /nfs/dbraw/zinc/33/44/81/977334481.db2.gz KNIZTLWPEXCMIO-KBPBESRZSA-N 2 0 285.407 1.268 10 0 CDAERP C[C@@H](C[NH2+]CC1CC(F)(F)C1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001392551340 977483168 /nfs/dbraw/zinc/48/31/68/977483168.db2.gz UWKKLIWGOPCHOA-JQWIXIFHSA-N 2 0 289.370 1.220 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@H]1CC[N@@H+]1C(C)C ZINC001392834464 977618164 /nfs/dbraw/zinc/61/81/64/977618164.db2.gz LUYGISOBLUMILC-CHWSQXEVSA-N 2 0 273.396 1.265 10 0 CDAERP C[C@@H]([NH2+]C1(CNC(=O)Cc2ncc[nH]2)CC1)c1ccccc1 ZINC001392939600 977657686 /nfs/dbraw/zinc/65/76/86/977657686.db2.gz FMIUBTJKRXASID-CYBMUJFWSA-N 2 0 298.390 1.952 10 0 CDAERP CCC[N@H+](C)CCC(=O)N(C)C1C[NH+](C[C@@H](C)CC)C1 ZINC001393015836 977676500 /nfs/dbraw/zinc/67/65/00/977676500.db2.gz CFBUMFQNQWOUDG-AWEZNQCLSA-N 2 0 283.460 1.907 10 0 CDAERP CC(C)[N@@H+]1Cc2ccc(CNC(=O)CC[NH+](C)C)cc2C1 ZINC001393721224 977901393 /nfs/dbraw/zinc/90/13/93/977901393.db2.gz IXNXGLOUAFIDNJ-UHFFFAOYSA-N 2 0 289.423 1.979 10 0 CDAERP CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)[NH+]3CCCC3)[C@@H]2C1 ZINC001394311932 978130715 /nfs/dbraw/zinc/13/07/15/978130715.db2.gz IFKSNUNWCOMSHX-QKDCVEJESA-N 2 0 293.455 1.565 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCF ZINC001394566636 978205558 /nfs/dbraw/zinc/20/55/58/978205558.db2.gz LWFOISXAAINRGG-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP CC(C)N(CC[N@H+](C)CC1CC1)C(=O)[C@H]1CCC[NH+]1C ZINC001394808551 978268694 /nfs/dbraw/zinc/26/86/94/978268694.db2.gz XDKOLBDNQMUVNT-OAHLLOKOSA-N 2 0 281.444 1.659 10 0 CDAERP CCC[N@H+](C)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001570747717 1170267248 /nfs/dbraw/zinc/26/72/48/1170267248.db2.gz LEEKIWBJROBGIP-OLZOCXBDSA-N 2 0 255.406 1.175 10 0 CDAERP C[NH+](C)CCCCC(=O)NC[C@H]1CCCCC[N@@H+]1CCO ZINC001570827515 1170289468 /nfs/dbraw/zinc/28/94/68/1170289468.db2.gz SQSDPBDJJYZLIO-OAHLLOKOSA-N 2 0 299.459 1.071 10 0 CDAERP COC[C@H](C)[NH2+]CCC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001571304392 1170362773 /nfs/dbraw/zinc/36/27/73/1170362773.db2.gz FVLMEXMZQPKFRP-KBPBESRZSA-N 2 0 299.459 1.238 10 0 CDAERP CCOC(=O)c1cccc(C[NH2+]CCCC[NH+](C)C)n1 ZINC000600131930 341978872 /nfs/dbraw/zinc/97/88/72/341978872.db2.gz WUKZFSJNJPZLSA-UHFFFAOYSA-N 2 0 279.384 1.690 10 0 CDAERP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](C)C2)o1 ZINC000618424037 349459349 /nfs/dbraw/zinc/45/93/49/349459349.db2.gz PLVWZLARJCKOCC-CYBMUJFWSA-N 2 0 293.411 1.945 10 0 CDAERP COc1cc(OC)c(OC)cc1C[NH2+]CCC1(C[NH3+])CC1 ZINC000650712092 398154793 /nfs/dbraw/zinc/15/47/93/398154793.db2.gz QKHOVNQNVCHQLK-UHFFFAOYSA-N 2 0 294.395 1.931 10 0 CDAERP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(-n2cnnn2)cc1 ZINC000650743907 398172695 /nfs/dbraw/zinc/17/26/95/398172695.db2.gz BHCBPJJQMXUMHZ-LBPRGKRZSA-N 2 0 286.383 1.442 10 0 CDAERP CCOC(=O)CCCCC[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000601325836 342553957 /nfs/dbraw/zinc/55/39/57/342553957.db2.gz GCARXSUUSZKVEM-OLZOCXBDSA-N 2 0 256.390 1.637 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)NCC[NH+](C)C(C)C ZINC000650818654 398234594 /nfs/dbraw/zinc/23/45/94/398234594.db2.gz SQKHQWBGEQLBPD-UHFFFAOYSA-N 2 0 286.464 1.604 10 0 CDAERP CC[C@H](Cc1ccccc1)[NH2+]CCOCC[NH2+]C ZINC000629393136 361910151 /nfs/dbraw/zinc/91/01/51/361910151.db2.gz XZOBHXIQOCHNGH-OAHLLOKOSA-N 2 0 250.386 1.833 10 0 CDAERP CC[C@@H](Cc1ccccc1)[NH2+]CCOCC[NH2+]C ZINC000629393135 361909563 /nfs/dbraw/zinc/90/95/63/361909563.db2.gz XZOBHXIQOCHNGH-HNNXBMFYSA-N 2 0 250.386 1.833 10 0 CDAERP Cc1cn2c(n1)C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)CC2 ZINC000625801436 342201056 /nfs/dbraw/zinc/20/10/56/342201056.db2.gz GMMICICPAGJIBW-MGPQQGTHSA-N 2 0 290.411 1.353 10 0 CDAERP CC(C)OC(=O)CC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000593728652 342830087 /nfs/dbraw/zinc/83/00/87/342830087.db2.gz BETUIXUNPSVZAE-ZNMIVQPWSA-N 2 0 298.427 1.689 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1c(C2CC2)nc2sccn12 ZINC000629400862 361938884 /nfs/dbraw/zinc/93/88/84/361938884.db2.gz LWNOXQQFSAIVIF-UHFFFAOYSA-N 2 0 294.424 1.728 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)CCc1ccccc1F ZINC000629405901 361944038 /nfs/dbraw/zinc/94/40/38/361944038.db2.gz XHPTYQGLXPLIEG-CYBMUJFWSA-N 2 0 268.376 1.972 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000440922698 361947988 /nfs/dbraw/zinc/94/79/88/361947988.db2.gz DCHLRDATCXGTAI-UMVBOHGHSA-N 2 0 279.428 1.602 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000629406858 361949219 /nfs/dbraw/zinc/94/92/19/361949219.db2.gz ZKZYURRUSXSLKD-DOTOQJQBSA-N 2 0 291.439 1.333 10 0 CDAERP CCC[NH+]1CCC(N(C)C[C@@H](O)CC(=O)OCC)CC1 ZINC000599312703 344005505 /nfs/dbraw/zinc/00/55/05/344005505.db2.gz BNYBGVDZJSZMSS-AWEZNQCLSA-N 2 0 286.416 1.107 10 0 CDAERP CC[NH+]1CCN([C@@H](C)C[NH2+]CC2(C)CCC2)CC1 ZINC000434753274 539044444 /nfs/dbraw/zinc/04/44/44/539044444.db2.gz BMWZDBKLYUCGAF-AWEZNQCLSA-N 2 0 253.434 1.792 10 0 CDAERP C[NH2+]CCc1ccccc1C(=O)N1CCC([NH+](C)C)CC1 ZINC000228499587 539053481 /nfs/dbraw/zinc/05/34/81/539053481.db2.gz GNWDDGGIECAZAW-UHFFFAOYSA-N 2 0 289.423 1.615 10 0 CDAERP C[NH+]1CCN(CCC[NH2+]Cc2cccc3cnccc32)CC1 ZINC000237205474 539046327 /nfs/dbraw/zinc/04/63/27/539046327.db2.gz BUZFKVLMLOGIEZ-UHFFFAOYSA-N 2 0 298.434 1.962 10 0 CDAERP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)[C@H]1CCCCO1 ZINC000623853989 342261627 /nfs/dbraw/zinc/26/16/27/342261627.db2.gz NXXDTYIMJVSILE-LSDHHAIUSA-N 2 0 269.433 1.171 10 0 CDAERP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000594932507 342976044 /nfs/dbraw/zinc/97/60/44/342976044.db2.gz RBIAXXHWJKZQKO-HZSPNIEDSA-N 2 0 298.427 1.009 10 0 CDAERP C[S@](=O)C1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000594937535 342977846 /nfs/dbraw/zinc/97/78/46/342977846.db2.gz QLCGUFHYWSRWAR-FQEVSTJZSA-N 2 0 290.392 1.268 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000594916918 342985512 /nfs/dbraw/zinc/98/55/12/342985512.db2.gz CXMCRKQBTGEWAG-REWJHTLYSA-N 2 0 268.401 1.504 10 0 CDAERP C[C@H](CSCCF)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000595040777 342998184 /nfs/dbraw/zinc/99/81/84/342998184.db2.gz XBNYGACKRYNTDB-CYBMUJFWSA-N 2 0 291.480 1.693 10 0 CDAERP CCO[C@@H]1CN(Cc2cc(C(=O)OC)c(C)o2)C[C@H]1C[NH3+] ZINC000405609173 349795623 /nfs/dbraw/zinc/79/56/23/349795623.db2.gz RXDLZZNMJWBBDC-BXUZGUMPSA-N 2 0 296.367 1.170 10 0 CDAERP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2oc(C)nc2C)CC1 ZINC000628213185 362106499 /nfs/dbraw/zinc/10/64/99/362106499.db2.gz BAXOKFYRQWKEOW-CYBMUJFWSA-N 2 0 294.443 1.655 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000629529173 362154951 /nfs/dbraw/zinc/15/49/51/362154951.db2.gz UKNYPXRQSPXAEL-GFCCVEGCSA-N 2 0 252.358 1.582 10 0 CDAERP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000629525006 362147312 /nfs/dbraw/zinc/14/73/12/362147312.db2.gz XGXSOROSDRPTPI-RVMXOQNASA-N 2 0 253.390 1.151 10 0 CDAERP O=C1CCCN1CCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000142823282 342449013 /nfs/dbraw/zinc/44/90/13/342449013.db2.gz WHHIQVBNKYAYFK-UHFFFAOYSA-N 2 0 293.455 1.807 10 0 CDAERP CSC1(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)CC[NH+](C)CC1 ZINC000597133770 343454202 /nfs/dbraw/zinc/45/42/02/343454202.db2.gz XZONGIGRERUTJR-ZIAGYGMSSA-N 2 0 284.469 1.971 10 0 CDAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000604643589 344912242 /nfs/dbraw/zinc/91/22/42/344912242.db2.gz QQZKWJPDNRBBLJ-UONOGXRCSA-N 2 0 282.432 1.064 10 0 CDAERP c1cnc(N[C@H]2CC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)nc1 ZINC000571443373 362528318 /nfs/dbraw/zinc/52/83/18/362528318.db2.gz AZMBPUDZMOFDBD-KGLIPLIRSA-N 2 0 275.400 1.353 10 0 CDAERP CN(CCC[NH2+]Cc1ncc(Cl)s1)CC[NH+](C)C ZINC000623087872 345200412 /nfs/dbraw/zinc/20/04/12/345200412.db2.gz MKSLACVZRVCLLP-UHFFFAOYSA-N 2 0 290.864 1.770 10 0 CDAERP CCN(C(=O)c1ccc(C[NH+](C)C)nc1)[C@@H]1CC[N@H+](C)C1 ZINC000617550895 345842594 /nfs/dbraw/zinc/84/25/94/345842594.db2.gz HDLIMWQBGDRSBG-OAHLLOKOSA-N 2 0 290.411 1.309 10 0 CDAERP C[C@H](CCNC(=O)c1c[nH+]ccc1N(C)C)[NH+](C)C ZINC000617756483 345955449 /nfs/dbraw/zinc/95/54/49/345955449.db2.gz HQFGKPCMQURBDG-LLVKDONJSA-N 2 0 264.373 1.218 10 0 CDAERP C[NH+](C)[C@@H]1CCN(Cc2cc(F)ccc2C[NH3+])C1 ZINC000085148062 178957235 /nfs/dbraw/zinc/95/72/35/178957235.db2.gz DLZFHKJWYOELFR-CQSZACIVSA-N 2 0 251.349 1.420 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623357347 346084979 /nfs/dbraw/zinc/08/49/79/346084979.db2.gz KBWMWDOYBDQRRM-CVEARBPZSA-N 3 0 296.503 1.475 10 0 CDAERP Cc1cc(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)ccn1 ZINC000623412660 346253027 /nfs/dbraw/zinc/25/30/27/346253027.db2.gz UWLIMGMTYZIGEZ-MRXNPFEDSA-N 2 0 277.412 1.717 10 0 CDAERP CC(C)[NH+](CCNC(=O)[C@H]1CCC[C@H]1[NH3+])C(C)C ZINC000085355287 179030331 /nfs/dbraw/zinc/03/03/31/179030331.db2.gz ZIPSSFIJPOTBIY-QWHCGFSZSA-N 2 0 255.406 1.349 10 0 CDAERP CC(C)[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000085367776 179037577 /nfs/dbraw/zinc/03/75/77/179037577.db2.gz ZKJSIELGXPKCPP-KBPBESRZSA-N 2 0 267.417 1.445 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]C2CCC(C(N)=O)CC2)CC1(C)C ZINC000623418824 346356952 /nfs/dbraw/zinc/35/69/52/346356952.db2.gz HMNSZRURPZZUOY-WXRRBKDZSA-N 2 0 267.417 1.493 10 0 CDAERP C[NH+](C)C1(CN[C@H]2CC[N@H+](C)C(C)(C)C2)CCOCC1 ZINC000623419543 346380165 /nfs/dbraw/zinc/38/01/65/346380165.db2.gz NENPJYMWQXVRAL-AWEZNQCLSA-N 2 0 283.460 1.560 10 0 CDAERP C[C@H]([NH3+])C1CCN(C(=O)c2ccccc2CC[NH3+])CC1 ZINC000584789417 346435356 /nfs/dbraw/zinc/43/53/56/346435356.db2.gz XOPKIZCXZWFZIW-LBPRGKRZSA-N 2 0 275.396 1.387 10 0 CDAERP [NH3+]CCC[NH2+]C[C@H]1Cc2cc(Br)ccc2O1 ZINC000085539719 179092597 /nfs/dbraw/zinc/09/25/97/179092597.db2.gz FAFSLLOGANZCNM-LLVKDONJSA-N 2 0 285.185 1.691 10 0 CDAERP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000263307451 362763766 /nfs/dbraw/zinc/76/37/66/362763766.db2.gz YAZRFGHGGRCKHG-IDWGSYCQSA-N 2 0 266.307 1.277 10 0 CDAERP COCCOCC[N@@H+]1CCC[NH2+][C@](C)(C2CC2)C1 ZINC000085613211 179103103 /nfs/dbraw/zinc/10/31/03/179103103.db2.gz URHWRXRZERISHS-AWEZNQCLSA-N 2 0 256.390 1.113 10 0 CDAERP C[C@@H]1C[NH+](CC[C@@H]2CSCC[NH2+]2)C[C@@H](C)S1 ZINC000085616476 179103712 /nfs/dbraw/zinc/10/37/12/179103712.db2.gz WBRSNYMJJYOMLP-IJLUTSLNSA-N 2 0 260.472 1.907 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC000635926151 362758494 /nfs/dbraw/zinc/75/84/94/362758494.db2.gz OKFUJCAHEXBOIU-KGLIPLIRSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@@H](NCCN[C@@H](C)[C@@H]1CCCC[NH2+]1)[C@@H]1CCCC[NH2+]1 ZINC000584614445 346500144 /nfs/dbraw/zinc/50/01/44/346500144.db2.gz MRBNUDJZFRQZGS-FZKCQIBNSA-N 2 0 282.476 1.227 10 0 CDAERP COC1CC[NH+](CCN[C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623441898 346759533 /nfs/dbraw/zinc/75/95/33/346759533.db2.gz OHRZXBOFDJJFIQ-AWEZNQCLSA-N 2 0 283.460 1.560 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](CO)CC2)CC1(C)C ZINC000623446539 346761850 /nfs/dbraw/zinc/76/18/50/346761850.db2.gz HFQQINWKLZSJKN-IHRRRGAJSA-N 2 0 254.418 2.000 10 0 CDAERP Cc1ncc(C[NH+]2CCC(OCC[NH+](C)C)CC2)cn1 ZINC000352016201 362773772 /nfs/dbraw/zinc/77/37/72/362773772.db2.gz VTSSTXQYPXYEIH-UHFFFAOYSA-N 2 0 278.400 1.328 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000335989626 362780170 /nfs/dbraw/zinc/78/01/70/362780170.db2.gz JNNGETPJRYWFHB-HOCLYGCPSA-N 2 0 279.428 1.463 10 0 CDAERP C[N@@H+]1CCC[C@H](CN2CC[NH2+]C3(CCCC3)C2)C1 ZINC000086145742 179238770 /nfs/dbraw/zinc/23/87/70/179238770.db2.gz UZWUNQBVVUBHBI-AWEZNQCLSA-N 2 0 251.418 1.546 10 0 CDAERP CC[N@@H+]1CC[C@@H](CN2CC[NH2+][C@@](C)(C3CC3)C2)C1 ZINC000086141837 179237102 /nfs/dbraw/zinc/23/71/02/179237102.db2.gz FPYJISYOQYNQJG-UKRRQHHQSA-N 2 0 251.418 1.402 10 0 CDAERP C[NH+]1CCC(C[N@@H+]2CCN[C@H](C(C)(C)C)C2)CC1 ZINC000086145652 179237842 /nfs/dbraw/zinc/23/78/42/179237842.db2.gz BESMMUZAWOPYHJ-AWEZNQCLSA-N 2 0 253.434 1.648 10 0 CDAERP CC[NH+]1CCC(C[N@@H+]2CCN[C@@](C)(C3CC3)C2)CC1 ZINC000086145702 179238259 /nfs/dbraw/zinc/23/82/59/179238259.db2.gz ZGCHTKPUCHQCOG-MRXNPFEDSA-N 2 0 265.445 1.792 10 0 CDAERP CC[N@@H+]1CC[C@@H](CN2CC[NH2+]C[C@@H]2c2ccccc2)C1 ZINC000086177262 179246351 /nfs/dbraw/zinc/24/63/51/179246351.db2.gz ZHKXVLIHAIGBFF-NVXWUHKLSA-N 2 0 273.424 1.975 10 0 CDAERP CC[C@@H]1C[NH2+][C@@](C)(CC)CN1C1CC[NH+](C)CC1 ZINC000086217831 179250053 /nfs/dbraw/zinc/25/00/53/179250053.db2.gz XYLCEFMAZSHQKR-HIFRSBDPSA-N 2 0 253.434 1.933 10 0 CDAERP CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623538142 347621400 /nfs/dbraw/zinc/62/14/00/347621400.db2.gz YJUTVBXSMJOVSG-MGPQQGTHSA-N 2 0 270.417 1.500 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)CC1(C)C ZINC000623552726 347628648 /nfs/dbraw/zinc/62/86/48/347628648.db2.gz SLKGSJQRCYXGQA-IHRRRGAJSA-N 2 0 281.444 1.741 10 0 CDAERP CO[C@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)[C@@H]1CCOC1 ZINC000623562421 347633670 /nfs/dbraw/zinc/63/36/70/347633670.db2.gz RIGIKBHEQRBKEO-HZSPNIEDSA-N 2 0 270.417 1.500 10 0 CDAERP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)[C@@H]1CCOC1 ZINC000623562423 347633835 /nfs/dbraw/zinc/63/38/35/347633835.db2.gz RIGIKBHEQRBKEO-MGPQQGTHSA-N 2 0 270.417 1.500 10 0 CDAERP C[C@H](C(=O)N(C)CC1C[NH+](C)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000618194820 349397994 /nfs/dbraw/zinc/39/79/94/349397994.db2.gz KEQRIRLQPKNYRH-JHJVBQTASA-N 2 0 267.417 1.268 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@H]1CCN[C@H](c2ccccc2)C1 ZINC000629537138 362952904 /nfs/dbraw/zinc/95/29/04/362952904.db2.gz IEORWPFTPSSFAK-HOTGVXAUSA-N 2 0 277.412 1.435 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC000620816921 350337077 /nfs/dbraw/zinc/33/70/77/350337077.db2.gz MFEGDXCGIYYBPH-KBPBESRZSA-N 2 0 282.432 1.110 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000629539027 362955382 /nfs/dbraw/zinc/95/53/82/362955382.db2.gz NXBZQZGVHAZRLR-CQSZACIVSA-N 2 0 252.333 1.768 10 0 CDAERP CC(C)[C@H](C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)[NH+](C)C ZINC000620968175 350388887 /nfs/dbraw/zinc/38/88/87/350388887.db2.gz ZOEBGOBJSCGBCE-HUUCEWRRSA-N 2 0 299.459 1.142 10 0 CDAERP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000106917132 186151439 /nfs/dbraw/zinc/15/14/39/186151439.db2.gz RPLINYJGOULRGC-HOTGVXAUSA-N 2 0 289.423 1.322 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000629540514 362964132 /nfs/dbraw/zinc/96/41/32/362964132.db2.gz VEQKAVUZYJIHAT-LOVFCKMRSA-N 2 0 252.402 1.765 10 0 CDAERP COc1cccc2c1CC[C@@H]2[NH2+]CCOCCC[NH3+] ZINC000629541911 362966244 /nfs/dbraw/zinc/96/62/44/362966244.db2.gz TYYNMGWTTCOHOX-AWEZNQCLSA-N 2 0 264.369 1.638 10 0 CDAERP [NH3+][C@]12CCC[C@H]1CN(C(=O)C1([NH2+]C3CC3)CCC1)C2 ZINC000621700820 350730461 /nfs/dbraw/zinc/73/04/61/350730461.db2.gz XLEADDMLDAJHMS-FZMZJTMJSA-N 2 0 263.385 1.001 10 0 CDAERP CCn1nccc1CC[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000621775261 350772038 /nfs/dbraw/zinc/77/20/38/350772038.db2.gz JZQDSGAMPWPXRH-HNNXBMFYSA-N 2 0 276.428 1.767 10 0 CDAERP CCn1cc(CC[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC000621775655 350772371 /nfs/dbraw/zinc/77/23/71/350772371.db2.gz VYJLJSZOAFCBBY-YIONKMFJSA-N 2 0 262.401 1.660 10 0 CDAERP CCOc1ccc(C[N@H+](C)CCOCC[NH2+]C)nc1 ZINC000629571322 363017895 /nfs/dbraw/zinc/01/78/95/363017895.db2.gz RXNNCQAEDWATRP-UHFFFAOYSA-N 2 0 267.373 1.148 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)C[C@@H](OC)c1ccccc1 ZINC000629570651 363018562 /nfs/dbraw/zinc/01/85/62/363018562.db2.gz ALKFIIQYOMJQCZ-OAHLLOKOSA-N 2 0 266.385 1.542 10 0 CDAERP O[C@H](C[NH2+]CCCc1nccs1)C[NH+]1CCCC1 ZINC000629580575 363040456 /nfs/dbraw/zinc/04/04/56/363040456.db2.gz VBQXNHVLXFSZQG-GFCCVEGCSA-N 2 0 269.414 1.122 10 0 CDAERP Cn1cc([C@@H]2OCC[C@H]2[NH2+]C2CCC([NH3+])CC2)cn1 ZINC000333580687 363042919 /nfs/dbraw/zinc/04/29/19/363042919.db2.gz NUHYVXQYSYNOIA-PQAZSJQKSA-N 2 0 264.373 1.110 10 0 CDAERP COC[C@@]1(C)C[N@H+](CCCC2CC[NH2+]CC2)CCO1 ZINC000629595725 363093868 /nfs/dbraw/zinc/09/38/68/363093868.db2.gz VRRHWQGKXMKORV-OAHLLOKOSA-N 2 0 270.417 1.504 10 0 CDAERP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333678734 363094583 /nfs/dbraw/zinc/09/45/83/363094583.db2.gz OKNQIMCGEMDUCK-XQQFMLRXSA-N 2 0 268.405 1.040 10 0 CDAERP C[C@H]([NH2+]CCCC[NH+]1CCOCC1)c1ccccn1 ZINC000158658096 188387882 /nfs/dbraw/zinc/38/78/82/188387882.db2.gz UZFHYHAVUJHNMY-AWEZNQCLSA-N 2 0 263.385 1.845 10 0 CDAERP CC(C)[NH+](CCNC(=O)[C@H]1[NH2+]CCCC1(C)C)C(C)C ZINC000232642334 140222924 /nfs/dbraw/zinc/22/29/24/140222924.db2.gz IQUZYGDFUWDBGA-CQSZACIVSA-N 2 0 283.460 2.000 10 0 CDAERP C[C@]1(CN2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)CC[NH2+]C1 ZINC000629654593 363256395 /nfs/dbraw/zinc/25/63/95/363256395.db2.gz MXMGZGDMFKVSFE-WOPDTQHZSA-N 2 0 279.350 1.445 10 0 CDAERP c1cc2c(cc1N[C@@H]1CC[C@@H]3C[NH2+]C[C@@H]3C1)OCC[NH2+]C2 ZINC000629665916 363304550 /nfs/dbraw/zinc/30/45/50/363304550.db2.gz YMWKFYUDJDNMHU-VHDGCEQUSA-N 2 0 287.407 1.969 10 0 CDAERP Cc1ccc(CCC[NH2+]CCOCCC[NH3+])cn1 ZINC000629677066 363326931 /nfs/dbraw/zinc/32/69/31/363326931.db2.gz AZAHLTDAXJTYRQ-UHFFFAOYSA-N 2 0 251.374 1.278 10 0 CDAERP c1ccc(C[N@H+]2CC[C@H](CNC3=[NH+]CCCN3)C2)cc1 ZINC000195164873 363365253 /nfs/dbraw/zinc/36/52/53/363365253.db2.gz PWCWGFFDYGCUGD-OAHLLOKOSA-N 2 0 272.396 1.447 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2(N3CCOCC3)CC2)[C@H]2CCC[C@@H]21 ZINC000367627547 283133979 /nfs/dbraw/zinc/13/39/79/283133979.db2.gz UEGLZDRLNFSAOR-PMPSAXMXSA-N 2 0 293.455 1.314 10 0 CDAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634765965 358503438 /nfs/dbraw/zinc/50/34/38/358503438.db2.gz LNJXLOSQVYLEKI-DZKIICNBSA-N 2 0 279.428 1.176 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)[C@H]1CCCC12CC2 ZINC000628050765 356441389 /nfs/dbraw/zinc/44/13/89/356441389.db2.gz MIYVBHSNBCXPNW-LSDHHAIUSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H]([NH3+])CC[NH2+]CCCCCCCC[NH2+]CC[C@H](C)[NH3+] ZINC000013650077 356687423 /nfs/dbraw/zinc/68/74/23/356687423.db2.gz VLYRLIMLXGWDID-IYBDPMFKSA-N 4 0 286.508 1.981 10 0 CDAERP NC[C@@H]([NH3+])c1c[nH]c2ccc(Br)cc21 ZINC000044469912 357108815 /nfs/dbraw/zinc/10/88/15/357108815.db2.gz FLXGTWSGYXTPTG-SECBINFHSA-N 2 0 254.131 1.889 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCN2CCCC2=O)[C@H]2CCC[C@H]21 ZINC000367626269 357479002 /nfs/dbraw/zinc/47/90/02/357479002.db2.gz NSXGXAJRULKWHV-QLFBSQMISA-N 2 0 279.428 1.461 10 0 CDAERP [NH3+]C[C@H]1CC[C@H](CNC(=O)COC2CCC([NH3+])CC2)CC1 ZINC000582061783 357481277 /nfs/dbraw/zinc/48/12/77/357481277.db2.gz UZLXZWYDMWPTSS-RBAFREBBSA-N 2 0 297.443 1.154 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N[C@H](C)CC[NH3+])CC1 ZINC000417392564 283317905 /nfs/dbraw/zinc/31/79/05/283317905.db2.gz PIBIOJNTODPJDE-GFCCVEGCSA-N 2 0 270.421 1.145 10 0 CDAERP C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@@]1(C)C[NH3+] ZINC000388345184 358103361 /nfs/dbraw/zinc/10/33/61/358103361.db2.gz ZFCJIIPRIMQYMC-IAQYHMDHSA-N 2 0 261.369 1.202 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)[C@H]2[NH2+]CCCC2(C)C)CC[N@@H+]1C ZINC000261566757 358105893 /nfs/dbraw/zinc/10/58/93/358105893.db2.gz HLHOZNFZUPFLNU-JHJVBQTASA-N 2 0 267.417 1.364 10 0 CDAERP COC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)nc1 ZINC000130889219 358318812 /nfs/dbraw/zinc/31/88/12/358318812.db2.gz UNGMJIQDXLFZMJ-CFVMTHIKSA-N 2 0 289.379 1.427 10 0 CDAERP CC[NH+](CC)CC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634762160 358433108 /nfs/dbraw/zinc/43/31/08/358433108.db2.gz QWUPUAWNQVMVAG-LBPRGKRZSA-N 2 0 255.406 1.223 10 0 CDAERP C[C@H](Cc1ccoc1)[NH2+]C[C@H]1CCCN1CCCO ZINC000449388654 358528080 /nfs/dbraw/zinc/52/80/80/358528080.db2.gz PSSWYGHXTWQMBB-UKRRQHHQSA-N 2 0 266.385 1.647 10 0 CDAERP COC(=O)c1ccc(C[NH2+]CCCC[NH+](C)C)[nH]1 ZINC000093085429 358583925 /nfs/dbraw/zinc/58/39/25/358583925.db2.gz ANHHKAIGIACKSX-UHFFFAOYSA-N 2 0 253.346 1.233 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1O ZINC000095088490 358677795 /nfs/dbraw/zinc/67/77/95/358677795.db2.gz QSGVTRQUQUQDSQ-HOTGVXAUSA-N 2 0 262.397 1.867 10 0 CDAERP CC(C)[NH2+][C@@H](CCO)C1CN(Cc2ccccc2)C1 ZINC000095088359 358677880 /nfs/dbraw/zinc/67/78/80/358677880.db2.gz RGEHRZJCFHUJKL-INIZCTEOSA-N 2 0 262.397 1.867 10 0 CDAERP CCOC(=O)[C@@H]1CCC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261871895 359073093 /nfs/dbraw/zinc/07/30/93/359073093.db2.gz OZSKXKZHWQMHNW-OCCSQVGLSA-N 2 0 254.374 1.261 10 0 CDAERP CCO[C@@H]1C[C@@H](O)C12CC[NH+](C[C@@]1(C)CC[NH2+]C1)CC2 ZINC000261897214 359082522 /nfs/dbraw/zinc/08/25/22/359082522.db2.gz VFMQGIDJCFDNAV-KFWWJZLASA-N 2 0 282.428 1.238 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC[NH2+]1 ZINC000262821776 359190843 /nfs/dbraw/zinc/19/08/43/359190843.db2.gz GVIHYGIOIVVXTK-BJJPWKGXSA-N 2 0 265.401 1.164 10 0 CDAERP CC(C)(C)NC(=O)CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000262029093 359124197 /nfs/dbraw/zinc/12/41/97/359124197.db2.gz XIPLBEAQSUDSQG-MGPQQGTHSA-N 2 0 297.443 1.038 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262468779 359172024 /nfs/dbraw/zinc/17/20/24/359172024.db2.gz WRYWTZBUCWHHIT-QPSCCSFWSA-N 2 0 281.444 1.611 10 0 CDAERP O=C([C@H]1CCC[NH2+]1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000037826148 359234444 /nfs/dbraw/zinc/23/44/44/359234444.db2.gz IVDVCZTXFBSQRJ-CQSZACIVSA-N 2 0 265.401 1.073 10 0 CDAERP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H](C)[C@@H]2C)CC1 ZINC000339571215 359415355 /nfs/dbraw/zinc/41/53/55/359415355.db2.gz DTDHMYRAOMHHEC-GJZGRUSLSA-N 2 0 253.434 1.743 10 0 CDAERP CC(C)c1noc(CCC[NH2+][C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000422932737 359684309 /nfs/dbraw/zinc/68/43/09/359684309.db2.gz GOQZXQWRMYAYDZ-NEPJUHHUSA-N 2 0 266.389 1.843 10 0 CDAERP CSC1(C[NH2+][C@@H](C)c2cnccc2N)CC[NH+](C)CC1 ZINC000423119938 359751336 /nfs/dbraw/zinc/75/13/36/359751336.db2.gz FBTTWSKDFCQEOQ-LBPRGKRZSA-N 2 0 294.468 1.972 10 0 CDAERP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000237466848 359835237 /nfs/dbraw/zinc/83/52/37/359835237.db2.gz FLAVWGBEFKOFTB-RWMBFGLXSA-N 2 0 253.390 1.057 10 0 CDAERP Cc1cnccc1NC(=O)N1CCN(C2CC2)CC1 ZINC000120922024 360095791 /nfs/dbraw/zinc/09/57/91/360095791.db2.gz XBTWLXBEUSWKDW-UHFFFAOYSA-N 2 0 260.341 1.702 10 0 CDAERP CC[C@@H]1CC[C@@H]1[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000348414332 360060394 /nfs/dbraw/zinc/06/03/94/360060394.db2.gz RLWHCGLGYGWGTH-ILXRZTDVSA-N 2 0 283.460 1.857 10 0 CDAERP O=C([C@@H]1CCCC[NH2+]1)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000373039430 296009137 /nfs/dbraw/zinc/00/91/37/296009137.db2.gz FTMCUZSKWDJBHI-CABCVRRESA-N 2 0 279.428 1.605 10 0 CDAERP CCC[C@@H]([NH3+])C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000037826178 283523942 /nfs/dbraw/zinc/52/39/42/283523942.db2.gz BEKZBBBASJXINN-CQSZACIVSA-N 2 0 267.417 1.448 10 0 CDAERP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000094648284 360278258 /nfs/dbraw/zinc/27/82/58/360278258.db2.gz PUXYXOPGVKIIRU-GDBMZVCRSA-N 2 0 293.455 1.709 10 0 CDAERP CC[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCC[NH+]2C)C1 ZINC000337648391 360313192 /nfs/dbraw/zinc/31/31/92/360313192.db2.gz JSFDQMDDDFCHOZ-KBPBESRZSA-N 2 0 282.432 1.112 10 0 CDAERP c1ccc2c(c1)CCC[C@@H]([NH2+]CCN1CC[NH2+]CC1)C2 ZINC000643499626 360391705 /nfs/dbraw/zinc/39/17/05/360391705.db2.gz RYKREQAZJJEEJH-QGZVFWFLSA-N 2 0 273.424 1.429 10 0 CDAERP c1ccc2c(c1)CCC[C@H]([NH2+]CCN1CC[NH2+]CC1)C2 ZINC000643499625 360391979 /nfs/dbraw/zinc/39/19/79/360391979.db2.gz RYKREQAZJJEEJH-KRWDZBQOSA-N 2 0 273.424 1.429 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH2+]C2CCC(NC(C)=O)CC2)[C@H](C)C1 ZINC000348758245 360569376 /nfs/dbraw/zinc/56/93/76/360569376.db2.gz ZWYZWICVQYCSNL-TWRYWWQQSA-N 2 0 281.444 1.754 10 0 CDAERP CN(CC12CC(C1)C[NH2+]2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000634991910 360618405 /nfs/dbraw/zinc/61/84/05/360618405.db2.gz WQLXJHUQAQTJGE-ADKAHSJRSA-N 2 0 285.435 1.945 10 0 CDAERP CC[C@@H]1CCCC[C@@H]1C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000566615040 360724930 /nfs/dbraw/zinc/72/49/30/360724930.db2.gz FCGQIEMIJHVAME-BRWVUGGUSA-N 2 0 297.487 1.401 10 0 CDAERP CN(C(=O)c1ccc(C[NH3+])cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000312337190 360802548 /nfs/dbraw/zinc/80/25/48/360802548.db2.gz IJQOWBTXBPHUBD-OAHLLOKOSA-N 2 0 273.380 1.312 10 0 CDAERP CCCCNC(=O)[C@@H](C)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000582181799 361021429 /nfs/dbraw/zinc/02/14/29/361021429.db2.gz RPUMAGYDBZSTBC-UKRRQHHQSA-N 2 0 267.417 1.367 10 0 CDAERP C[C@](CO)(NCc1cnc2n1CCC2)c1cccc(O)c1 ZINC000628374459 364007311 /nfs/dbraw/zinc/00/73/11/364007311.db2.gz KVYLUXNQEWUPJT-MRXNPFEDSA-N 2 0 287.363 1.532 10 0 CDAERP C[C@@H](CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)[NH+](C)C ZINC000459034385 364195711 /nfs/dbraw/zinc/19/57/11/364195711.db2.gz CUESHMYVPKBEJC-LSDHHAIUSA-N 2 0 296.459 1.596 10 0 CDAERP C[C@H](CNC(=O)CC[C@H](C)[NH3+])[N@@H+]1CCC[C@@H](C)C1 ZINC000248879208 364318110 /nfs/dbraw/zinc/31/81/10/364318110.db2.gz RUSIKORPRIIIPQ-FRRDWIJNSA-N 2 0 255.406 1.350 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2cn[nH]c2)[C@H](C)C1 ZINC000353622735 365339348 /nfs/dbraw/zinc/33/93/48/365339348.db2.gz NEDFQOZRCBTEIW-ZBFHGGJFSA-N 2 0 294.443 1.679 10 0 CDAERP C[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)[C@H]1C[C@H]1C ZINC000414182740 241102761 /nfs/dbraw/zinc/10/27/61/241102761.db2.gz DILFSCHXLZMNRS-PMPSAXMXSA-N 2 0 295.471 1.417 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000251876777 366980494 /nfs/dbraw/zinc/98/04/94/366980494.db2.gz ULHCNYTURCEJIT-PMPSAXMXSA-N 2 0 293.455 1.851 10 0 CDAERP CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414763125 241374501 /nfs/dbraw/zinc/37/45/01/241374501.db2.gz WYNBSFATIYRSCG-AJNGGQMLSA-N 2 0 298.427 1.417 10 0 CDAERP Cn1cc(-c2cccc(C[NH2+]C3CC[NH2+]CC3)c2)cn1 ZINC000414783080 241383824 /nfs/dbraw/zinc/38/38/24/241383824.db2.gz GALDKGKSCKEENJ-UHFFFAOYSA-N 2 0 270.380 1.929 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCC1CC[NH+](C)CC1 ZINC000626968476 367104005 /nfs/dbraw/zinc/10/40/05/367104005.db2.gz GVVBNGDGKRMBSC-UONOGXRCSA-N 2 0 282.432 1.158 10 0 CDAERP C[C@H](CCC[NH3+])[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000415025361 241521197 /nfs/dbraw/zinc/52/11/97/241521197.db2.gz QSHVIFNCPQHPLK-SNVBAGLBSA-N 2 0 279.409 1.817 10 0 CDAERP C[C@H]1CC[C@@H](NC(=O)NCC2CC[NH+](C3CC3)CC2)C[NH2+]1 ZINC000627020164 367243920 /nfs/dbraw/zinc/24/39/20/367243920.db2.gz AUNAQGIAHNYLDL-GXTWGEPZSA-N 2 0 294.443 1.301 10 0 CDAERP C[C@H]1CC[C@@H](NC(=O)NCC[NH2+]C2CCCCCC2)C[NH2+]1 ZINC000627080965 367382089 /nfs/dbraw/zinc/38/20/89/367382089.db2.gz UFGDXZWAPYOIDJ-DZGCQCFKSA-N 2 0 296.459 1.739 10 0 CDAERP C[C@H]1CC[C@@H](NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)C[NH2+]1 ZINC000627091932 367426146 /nfs/dbraw/zinc/42/61/46/367426146.db2.gz FEBPSMLQRJKCAC-XDQVBPFNSA-N 2 0 282.432 1.191 10 0 CDAERP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]CCc1cnc(C2CC2)nc1 ZINC000358223257 367521168 /nfs/dbraw/zinc/52/11/68/367521168.db2.gz JUGHGLFEDMLABP-LRDDRELGSA-N 2 0 286.423 1.969 10 0 CDAERP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)CC[NH2+]1 ZINC000576040652 317062500 /nfs/dbraw/zinc/06/25/00/317062500.db2.gz NFMHWDWYENCINF-ILXRZTDVSA-N 3 0 251.418 1.450 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000417009882 242267533 /nfs/dbraw/zinc/26/75/33/242267533.db2.gz NZOVSGMFAGVVFT-MNOVXSKESA-N 2 0 292.374 1.013 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N2CCC3(CC[NH2+]CC3)CC2)C[NH2+]1 ZINC000627208556 367705731 /nfs/dbraw/zinc/70/57/31/367705731.db2.gz YFEACQTTWPCFDK-KGLIPLIRSA-N 2 0 294.443 1.302 10 0 CDAERP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627198358 367687775 /nfs/dbraw/zinc/68/77/75/367687775.db2.gz KOYHITDWGIAYQX-HZSPNIEDSA-N 2 0 282.432 1.109 10 0 CDAERP CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627202696 367696460 /nfs/dbraw/zinc/69/64/60/367696460.db2.gz SFHIWTRZGROISJ-STQMWFEESA-N 2 0 270.421 1.109 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)C[NH2+]1 ZINC000627208929 367707640 /nfs/dbraw/zinc/70/76/40/367707640.db2.gz ZZIKWNCGVQRWOY-CHWSQXEVSA-N 2 0 284.448 1.547 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)N[C@@H]2CC[NH2+][C@H]2C)[C@@H](C)C1 ZINC000627242729 367811244 /nfs/dbraw/zinc/81/12/44/367811244.db2.gz YIEXFEBWWRJGAR-IGQOVBAYSA-N 2 0 282.432 1.109 10 0 CDAERP [NH3+]CCCNC(=O)NCCCCC[NH+]1CCCCC1 ZINC000417703271 242595310 /nfs/dbraw/zinc/59/53/10/242595310.db2.gz JWNWCYLYLGJXFF-UHFFFAOYSA-N 2 0 270.421 1.291 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000627245830 367870489 /nfs/dbraw/zinc/87/04/89/367870489.db2.gz SHSULPXVOCRVBD-GXTWGEPZSA-N 2 0 282.432 1.287 10 0 CDAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CCC[NH+](C)C ZINC000538317057 368266560 /nfs/dbraw/zinc/26/65/60/368266560.db2.gz XNYLSQZQEGSKII-STQMWFEESA-N 2 0 255.406 1.269 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC000283879247 368412483 /nfs/dbraw/zinc/41/24/83/368412483.db2.gz JJNVVFUXQWAUJK-CQSZACIVSA-N 2 0 272.352 1.501 10 0 CDAERP C[C@@H]([NH3+])C1CCN(C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000418452353 243095300 /nfs/dbraw/zinc/09/53/00/243095300.db2.gz NVDNAOWRIWEGTG-DOMZBBRYSA-N 2 0 290.411 1.455 10 0 CDAERP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418553259 243206676 /nfs/dbraw/zinc/20/66/76/243206676.db2.gz STGDPDJPMRRFDJ-BFHYXJOUSA-N 2 0 282.432 1.110 10 0 CDAERP CC[NH2+][C@H](C)C(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000638119678 368508477 /nfs/dbraw/zinc/50/84/77/368508477.db2.gz BIJNFSNQXCHCBM-JHJVBQTASA-N 2 0 253.390 1.070 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC000542785311 368821599 /nfs/dbraw/zinc/82/15/99/368821599.db2.gz LWUNKIGPRYGKJU-AWEZNQCLSA-N 2 0 292.427 1.754 10 0 CDAERP CC[NH2+][C@H](C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638272573 369041277 /nfs/dbraw/zinc/04/12/77/369041277.db2.gz SJFAYWXKLMXVPS-GDBMZVCRSA-N 2 0 289.423 1.717 10 0 CDAERP CC[C@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)CCN1CC(F)F ZINC000420369682 244158043 /nfs/dbraw/zinc/15/80/43/244158043.db2.gz XZQVIKNLJZRZGV-STQMWFEESA-N 2 0 275.387 1.647 10 0 CDAERP [NH3+]CCC[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000420374556 244167597 /nfs/dbraw/zinc/16/75/97/244167597.db2.gz OBLZNIWMPOCQIN-AWEZNQCLSA-N 2 0 285.395 2.000 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000368238558 369406718 /nfs/dbraw/zinc/40/67/18/369406718.db2.gz BOEGUJZYLJHVTA-WFASDCNBSA-N 2 0 285.407 1.409 10 0 CDAERP CC1(C)C[NH2+][C@H]1C(=O)NCc1cn2cc(Cl)ccc2n1 ZINC000645305609 369446630 /nfs/dbraw/zinc/44/66/30/369446630.db2.gz UUKXSJCLVKGWIU-LBPRGKRZSA-N 2 0 292.770 1.602 10 0 CDAERP Cc1ccncc1C[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000135455724 369693085 /nfs/dbraw/zinc/69/30/85/369693085.db2.gz IRDDHYMSRBFDSN-KRWDZBQOSA-N 2 0 290.455 1.752 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC000290749403 370030459 /nfs/dbraw/zinc/03/04/59/370030459.db2.gz AHFZYDNJBBVCTO-CYBMUJFWSA-N 2 0 292.427 1.998 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000252445776 370205290 /nfs/dbraw/zinc/20/52/90/370205290.db2.gz FTQOQZGWPAWOSF-XHSDSOJGSA-N 2 0 293.455 1.707 10 0 CDAERP CC(C)C[C@@H](C[NH3+])NC(=O)NCC1([NH3+])CCCCCC1 ZINC000418285986 370514540 /nfs/dbraw/zinc/51/45/40/370514540.db2.gz QJRJJEFDXNLXGN-ZDUSSCGKSA-N 2 0 284.448 1.711 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCCC2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000630874713 370557450 /nfs/dbraw/zinc/55/74/50/370557450.db2.gz GKAMTZIRZKQGSC-LSDHHAIUSA-N 2 0 281.444 1.565 10 0 CDAERP Cc1c(Cl)c(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)nn1C ZINC000422550444 245107187 /nfs/dbraw/zinc/10/71/87/245107187.db2.gz BAQFVNYJUTYPJT-NXEZZACHSA-N 2 0 256.781 1.599 10 0 CDAERP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc(-n3cncn3)cc2)C1 ZINC000414933000 370529061 /nfs/dbraw/zinc/52/90/61/370529061.db2.gz WHWSKHNEWIPYRD-UONOGXRCSA-N 2 0 271.368 1.627 10 0 CDAERP C[NH2+]C[C@H]1CCCN1C(=O)NCC1([NH3+])CCCCCC1 ZINC000418286872 370561637 /nfs/dbraw/zinc/56/16/37/370561637.db2.gz SGRGNOHNYHANEJ-CYBMUJFWSA-N 2 0 282.432 1.432 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001661512196 1172400655 /nfs/dbraw/zinc/40/06/55/1172400655.db2.gz YNAYMJKIBXTQDE-KKUMJFAQSA-N 2 0 281.444 1.898 10 0 CDAERP CC(C)[NH+](CCN[C@@H](C1CC1)[C@H]1C[NH2+]CCO1)C(C)C ZINC000422767714 245233028 /nfs/dbraw/zinc/23/30/28/245233028.db2.gz YUKLCGZQQKUICH-CVEARBPZSA-N 2 0 283.460 1.462 10 0 CDAERP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1CCCN(c2cnn(C)c2)C1 ZINC000422785331 245253852 /nfs/dbraw/zinc/25/38/52/245253852.db2.gz QVVAWKASOPJZDG-IJEWVQPXSA-N 2 0 291.443 1.367 10 0 CDAERP CC[NH+]1CCC(CC[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])CC1 ZINC000422778779 245248160 /nfs/dbraw/zinc/24/81/60/245248160.db2.gz DZJNOHOFTZSNJH-VNQPRFMTSA-N 3 0 283.460 1.450 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000422808152 245284161 /nfs/dbraw/zinc/28/41/61/245284161.db2.gz AMDPZIQTMHPZEQ-HNNXBMFYSA-N 2 0 288.395 1.716 10 0 CDAERP CC[NH+]1CCC(CC[NH2+]Cc2nccnc2OC)CC1 ZINC000295814887 371470091 /nfs/dbraw/zinc/47/00/91/371470091.db2.gz UGSWQFITHQCMBB-UHFFFAOYSA-N 2 0 278.400 1.697 10 0 CDAERP CC[NH+]1CCC(CNC(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652144369 412792216 /nfs/dbraw/zinc/79/22/16/412792216.db2.gz DEPVSGLTHDUOJU-UHFFFAOYSA-N 2 0 282.432 1.147 10 0 CDAERP COCCN1CC[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)C1 ZINC000336893949 371888184 /nfs/dbraw/zinc/88/81/84/371888184.db2.gz LIKODDQZYDLQOK-AWEZNQCLSA-N 2 0 269.433 1.029 10 0 CDAERP CC(C)OC[C@H](O)C[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000580552891 372018508 /nfs/dbraw/zinc/01/85/08/372018508.db2.gz FOZKJMCRXWFDHD-LSDHHAIUSA-N 2 0 272.433 1.484 10 0 CDAERP Cc1cnn(CC[NH2+][C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000123921841 541864737 /nfs/dbraw/zinc/86/47/37/541864737.db2.gz XIZVERDIJWCCAZ-ZDUSSCGKSA-N 2 0 250.390 1.511 10 0 CDAERP C[C@H](N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@H]1CCC[NH2+]C1 ZINC000643460336 372435274 /nfs/dbraw/zinc/43/52/74/372435274.db2.gz RJBGEAYDJJWQEZ-BYNSBNAKSA-N 2 0 253.434 1.837 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000173915071 372521814 /nfs/dbraw/zinc/52/18/14/372521814.db2.gz YPZWYKVHBPBEAD-OAHLLOKOSA-N 2 0 296.459 1.454 10 0 CDAERP C[C@@H](CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)[N@H+](C)C1CC1 ZINC000174735898 372621125 /nfs/dbraw/zinc/62/11/25/372621125.db2.gz YYBOFCUIJWVDBT-ZFWWWQNUSA-N 2 0 292.427 1.125 10 0 CDAERP CO[C@H](CC[NH2+][C@@H]1CCC[C@@H]1C[NH3+])C(F)(F)F ZINC000423075500 245541764 /nfs/dbraw/zinc/54/17/64/245541764.db2.gz XCWPYRDAEGFPBM-OPRDCNLKSA-N 2 0 254.296 1.671 10 0 CDAERP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000581080900 372823824 /nfs/dbraw/zinc/82/38/24/372823824.db2.gz ZDWYCZZPBAQAMJ-ZACQAIPSSA-N 2 0 292.423 1.666 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCC[N@@H+](C3CC3)CC2)C1 ZINC000178747303 372978301 /nfs/dbraw/zinc/97/83/01/372978301.db2.gz AOVAYJBFLVIXPO-CHWSQXEVSA-N 2 0 265.401 1.201 10 0 CDAERP C[C@@H]1C[NH2+]CCN1C(=O)NCC[NH2+]C1CCCCCC1 ZINC000333478910 205357401 /nfs/dbraw/zinc/35/74/01/205357401.db2.gz BWEAVNFRJSVBNE-CYBMUJFWSA-N 2 0 282.432 1.302 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)NCCC[NH+]2CCCC2)CC[N@@H+]1C ZINC000340995668 373150903 /nfs/dbraw/zinc/15/09/03/373150903.db2.gz RGUHFSYBRQGNRX-CABCVRRESA-N 2 0 296.459 1.596 10 0 CDAERP CC(C)Cn1ccnc1CNC(=O)N1CCC[N@H+](C)CC1 ZINC000341157619 373362801 /nfs/dbraw/zinc/36/28/01/373362801.db2.gz OPAOSOVGFATINU-UHFFFAOYSA-N 2 0 293.415 1.386 10 0 CDAERP CCCCCNC(=O)[C@H](C)[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631841036 373829031 /nfs/dbraw/zinc/82/90/31/373829031.db2.gz HMPFAEIDIRGLEK-AVGNSLFASA-N 2 0 255.406 1.208 10 0 CDAERP CC(C)CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631840202 373789495 /nfs/dbraw/zinc/78/94/95/373789495.db2.gz ALVOMBPYBZDDHW-AGIUHOORSA-N 2 0 255.406 1.064 10 0 CDAERP C[NH+](C)CCCC1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000123615971 374701322 /nfs/dbraw/zinc/70/13/22/374701322.db2.gz ZQLIFKHRAXJZBJ-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCCF)CC1 ZINC000130622165 375315259 /nfs/dbraw/zinc/31/52/59/375315259.db2.gz RJBOXOZKFHZEOX-AWEZNQCLSA-N 2 0 257.397 1.448 10 0 CDAERP COCC(C)(C)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000426423550 247022894 /nfs/dbraw/zinc/02/28/94/247022894.db2.gz YQYUEOXGCKYWRN-INIZCTEOSA-N 2 0 297.487 1.761 10 0 CDAERP CC(C)[C@@H](CNC(=O)N[C@H](C)[C@@H](C)[NH3+])[NH+]1CCC(C)CC1 ZINC000417011715 375716458 /nfs/dbraw/zinc/71/64/58/375716458.db2.gz STTOKUHRQLAXJN-RBSFLKMASA-N 2 0 298.475 1.778 10 0 CDAERP C[C@@H](CC[NH+](C)C)NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000417323692 375779488 /nfs/dbraw/zinc/77/94/88/375779488.db2.gz YOSJEYOFMANYNL-ZFWWWQNUSA-N 2 0 282.432 1.112 10 0 CDAERP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000638975747 376321007 /nfs/dbraw/zinc/32/10/07/376321007.db2.gz OTWGSHWQGJHJKM-UONOGXRCSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC[N@@H+]1C ZINC000631475761 376291054 /nfs/dbraw/zinc/29/10/54/376291054.db2.gz MFPAARAKFOHOKC-MELADBBJSA-N 2 0 283.460 1.809 10 0 CDAERP c1nc2n(n1)[C@@H](C[NH+]1CCC([C@@H]3CC[NH2+]C3)CC1)CC2 ZINC000631826233 376656240 /nfs/dbraw/zinc/65/62/40/376656240.db2.gz IILLTDQPGWLGCW-ZIAGYGMSSA-N 2 0 275.400 1.087 10 0 CDAERP C[C@@H]1C[N@H+](Cc2ccc(-n3ccnc3)cc2)C[C@H]1C[NH3+] ZINC000631839483 376688781 /nfs/dbraw/zinc/68/87/81/376688781.db2.gz HBMZPWAMVUGWKX-UKRRQHHQSA-N 2 0 270.380 1.899 10 0 CDAERP C[C@@H]1C[N@H+](CCCn2c3ccccc3[nH]c2=O)C[C@H]1C[NH3+] ZINC000631842848 376701796 /nfs/dbraw/zinc/70/17/96/376701796.db2.gz GVRWOAIFENXLAJ-CHWSQXEVSA-N 2 0 288.395 1.659 10 0 CDAERP CC[NH+](CC)CC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000068095257 376707048 /nfs/dbraw/zinc/70/70/48/376707048.db2.gz ZHPWPOSDBRVXED-CQSZACIVSA-N 2 0 297.443 1.040 10 0 CDAERP CCNC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@H+](CC)C[C@H]2C)C1 ZINC000246402523 376772112 /nfs/dbraw/zinc/77/21/12/376772112.db2.gz LUVCIMRLAIPTTR-HZSPNIEDSA-N 2 0 282.432 1.110 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000246621006 376957980 /nfs/dbraw/zinc/95/79/80/376957980.db2.gz MTQGXMPXFQMBMU-UONOGXRCSA-N 2 0 282.432 1.206 10 0 CDAERP COc1cc(C[C@@H](C)[NH2+][C@@H]2CCc3nc[nH]c3C2)ccn1 ZINC000639192074 377397444 /nfs/dbraw/zinc/39/74/44/377397444.db2.gz OYMJBXVTZAYEMO-DGCLKSJQSA-N 2 0 286.379 1.891 10 0 CDAERP O=C1C(C[NH2+]CCN2CCCC2)=CC2=CC=C[C@@H]3CCN1[C@H]23 ZINC000039287516 377426630 /nfs/dbraw/zinc/42/66/30/377426630.db2.gz OKEFDLLYRVTRRX-PBHICJAKSA-N 2 0 299.418 1.325 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CC(C)C ZINC001662234017 1172512341 /nfs/dbraw/zinc/51/23/41/1172512341.db2.gz GFDHKBJESLTAQB-UONOGXRCSA-N 2 0 269.433 1.611 10 0 CDAERP CN(C)C(=O)N1CCC([NH2+]CC2([NH3+])CCCCCC2)CC1 ZINC000334838356 377592382 /nfs/dbraw/zinc/59/23/82/377592382.db2.gz UJSNOQKLUOLSOC-UHFFFAOYSA-N 2 0 296.459 1.774 10 0 CDAERP CC1CC[NH+](CC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000334816510 377640787 /nfs/dbraw/zinc/64/07/87/377640787.db2.gz LRQKJQMRHPALPD-MQVJKMGUSA-N 2 0 293.455 1.850 10 0 CDAERP C[N@H+](CCNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)C1CCCC1 ZINC000417508103 377701457 /nfs/dbraw/zinc/70/14/57/377701457.db2.gz OUTNZUHZPOAOAN-ZFWWWQNUSA-N 2 0 294.443 1.254 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000091539752 377894676 /nfs/dbraw/zinc/89/46/76/377894676.db2.gz OEGYPLJUCHMAOB-RWMBFGLXSA-N 2 0 253.390 1.057 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH+]2CCCC2)CC[N@@H+]1C ZINC000632845703 377924912 /nfs/dbraw/zinc/92/49/12/377924912.db2.gz QBUOZHNVVQWMCH-LSDHHAIUSA-N 2 0 281.444 1.661 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000417541853 377936638 /nfs/dbraw/zinc/93/66/38/377936638.db2.gz ZBNOPYVXLYJYRC-HZSPNIEDSA-N 2 0 282.432 1.382 10 0 CDAERP O=C(c1ccc2c[nH+]cn2c1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000632863788 377941340 /nfs/dbraw/zinc/94/13/40/377941340.db2.gz JRESHQOBUOPNOU-IUODEOHRSA-N 2 0 284.363 1.548 10 0 CDAERP O[C@H]([C@@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1)C(F)(F)F ZINC000261787867 377904133 /nfs/dbraw/zinc/90/41/33/377904133.db2.gz FZIABGSDKYBINC-QJPTWQEYSA-N 2 0 280.334 1.621 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H]1NC1CC([NH+]2CCCCC2)C1 ZINC000423096490 295273409 /nfs/dbraw/zinc/27/34/09/295273409.db2.gz PAUPSSCBROSGBR-XSCHDIRWSA-N 2 0 251.418 1.720 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N[C@@H](C)C1([NH+]2CCOCC2)CCCC1 ZINC000193319971 378273389 /nfs/dbraw/zinc/27/33/89/378273389.db2.gz SVIIMFRZUXRSOZ-KBPBESRZSA-N 2 0 297.443 1.264 10 0 CDAERP C[C@H]([NH3+])CCC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000193300899 378288449 /nfs/dbraw/zinc/28/84/49/378288449.db2.gz XJPFFBPNRSFADN-ZDUSSCGKSA-N 2 0 299.484 1.592 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)[NH+](C)C)CC[N@@H+]1C ZINC000633616551 378598351 /nfs/dbraw/zinc/59/83/51/378598351.db2.gz GTRCPWWBXRMXTP-RWMBFGLXSA-N 2 0 255.406 1.173 10 0 CDAERP CC(C)OCCC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662324441 412892430 /nfs/dbraw/zinc/89/24/30/412892430.db2.gz YFBIPEXLFVAOOQ-OAHLLOKOSA-N 2 0 272.433 1.844 10 0 CDAERP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)CCO1 ZINC000662323714 412892909 /nfs/dbraw/zinc/89/29/09/412892909.db2.gz PPBNWHBCSRVAAI-IAGOWNOFSA-N 2 0 298.471 1.970 10 0 CDAERP C[N@H+](CC1CC[NH+](CCO)CC1)C[C@@H]1CCCCO1 ZINC000069770069 378731038 /nfs/dbraw/zinc/73/10/38/378731038.db2.gz PQULSLVXIRKTBK-HNNXBMFYSA-N 2 0 270.417 1.192 10 0 CDAERP COCC1(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)CCC1 ZINC000662324809 412893995 /nfs/dbraw/zinc/89/39/95/412893995.db2.gz YHWUSVVAMHZTOJ-OAHLLOKOSA-N 2 0 284.444 1.846 10 0 CDAERP Cc1nccn1CCC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662325148 412896883 /nfs/dbraw/zinc/89/68/83/412896883.db2.gz IQKKUNHTOTVUAT-INIZCTEOSA-N 2 0 294.443 1.624 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000657572724 412903664 /nfs/dbraw/zinc/90/36/64/412903664.db2.gz CSKXGNGIJFAPAW-XHSDSOJGSA-N 2 0 296.503 1.473 10 0 CDAERP Cc1nn(C)c(C)c1C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000657572725 412904687 /nfs/dbraw/zinc/90/46/87/412904687.db2.gz CTHBZUCAVBCFJG-ZDUSSCGKSA-N 2 0 295.475 1.399 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CC[C@H](O)C(F)(F)F)CC[N@@H+]1C ZINC000639171668 379168429 /nfs/dbraw/zinc/16/84/29/379168429.db2.gz DDASDELZBDVCJQ-BBBLOLIVSA-N 2 0 254.296 1.372 10 0 CDAERP CC(C)[C@H](C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1)[C@@H](C)[NH3+] ZINC000634300999 379354295 /nfs/dbraw/zinc/35/42/95/379354295.db2.gz TWEKKWTZZOSRQN-MCIONIFRSA-N 2 0 269.433 1.404 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000634300859 379360136 /nfs/dbraw/zinc/36/01/36/379360136.db2.gz NGWMFTVAWFIQID-LSDHHAIUSA-N 2 0 283.460 1.796 10 0 CDAERP CC(C)C[C@H]([NH3+])c1noc([C@H](F)[C@@H]2CC[NH2+]C2)n1 ZINC000634555885 379669890 /nfs/dbraw/zinc/66/98/90/379669890.db2.gz XWOWPUAFJIDYBD-KXUCPTDWSA-N 2 0 256.325 1.736 10 0 CDAERP CC(C)=CC[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000071871584 379677112 /nfs/dbraw/zinc/67/71/12/379677112.db2.gz YIQRDKAZTTVCTP-AWEZNQCLSA-N 2 0 254.418 1.977 10 0 CDAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]C3CCOCC3)cc2)C1 ZINC000657595510 412923262 /nfs/dbraw/zinc/92/32/62/412923262.db2.gz QNZJOEZRYFNBCV-QGZVFWFLSA-N 2 0 290.407 1.522 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCF)C1 ZINC001662642002 1172573662 /nfs/dbraw/zinc/57/36/62/1172573662.db2.gz YBAIQNFOJMJAIA-KBPBESRZSA-N 2 0 285.407 1.268 10 0 CDAERP CC[NH+](CC)CCC[C@@H](C)Nc1nc(C)nc(N(C)C)n1 ZINC000489554846 253002680 /nfs/dbraw/zinc/00/26/80/253002680.db2.gz ULNVZJKBWAEMPM-GFCCVEGCSA-N 2 0 294.447 1.590 10 0 CDAERP C[NH+](C)CCC(=O)NCC[N@H+](C)Cc1ccsc1 ZINC001663266043 1172663269 /nfs/dbraw/zinc/66/32/69/1172663269.db2.gz BXNHHUSJDWDHBI-UHFFFAOYSA-N 2 0 269.414 1.248 10 0 CDAERP O[C@H](C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C(F)F ZINC000423099898 285356471 /nfs/dbraw/zinc/35/64/71/285356471.db2.gz UQIKKUGIURFBJE-JMSVASOKSA-N 2 0 298.333 1.458 10 0 CDAERP O[C@H](C[NH2+]CC1([C@@H]2CCCCO2)CCC1)C[NH+]1CCCC1 ZINC000634727787 390618627 /nfs/dbraw/zinc/61/86/27/390618627.db2.gz FMVARURROUKUSA-CVEARBPZSA-N 2 0 296.455 1.772 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)CO1 ZINC000647187493 390835627 /nfs/dbraw/zinc/83/56/27/390835627.db2.gz OYJAFJCWJQSPRO-CVEARBPZSA-N 2 0 295.471 1.704 10 0 CDAERP O=C(N[C@@H]1CC[NH2+]C12CCCC2)[C@H]1C[NH2+]CCC1(F)F ZINC000648210495 390953015 /nfs/dbraw/zinc/95/30/15/390953015.db2.gz SYYIKFRFDCEXNR-GHMZBOCLSA-N 2 0 287.354 1.022 10 0 CDAERP CN(CC1CC[NH+](C)CC1)C(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000133445839 390903539 /nfs/dbraw/zinc/90/35/39/390903539.db2.gz HPOGVNFWDSVEIW-OAHLLOKOSA-N 2 0 267.417 1.319 10 0 CDAERP C[N@H+](C[C@@H](O)COC(C)(C)C)C[C@@H]1CCC[NH+](C)C1 ZINC000158073906 390928163 /nfs/dbraw/zinc/92/81/63/390928163.db2.gz WUOMWULMPCSSQS-ZIAGYGMSSA-N 2 0 272.433 1.436 10 0 CDAERP Cc1cc(C[NH2+]C2CCC(C[NH+](C)C)CC2)n(C)n1 ZINC000417946389 391003603 /nfs/dbraw/zinc/00/36/03/391003603.db2.gz GOURYQINFWGJBR-UHFFFAOYSA-N 2 0 264.417 1.939 10 0 CDAERP Cc1nn(C)c(C)c1CC[NH2+][C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000415085263 391004375 /nfs/dbraw/zinc/00/43/75/391004375.db2.gz PSNPIVARIIPUEZ-FZMZJTMJSA-N 2 0 264.417 1.700 10 0 CDAERP CC(C)OCCC[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105915398 391008883 /nfs/dbraw/zinc/00/88/83/391008883.db2.gz BEOOVHOYFMWAMT-OAHLLOKOSA-N 2 0 286.460 1.826 10 0 CDAERP C[NH+]1CCC(NC[C@@H](n2cccn2)C(F)(F)F)CC1 ZINC000527747007 391098884 /nfs/dbraw/zinc/09/88/84/391098884.db2.gz XFQJIHUEACGULR-LLVKDONJSA-N 2 0 276.306 1.670 10 0 CDAERP CN(C)C(=O)CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000368610433 391036703 /nfs/dbraw/zinc/03/67/03/391036703.db2.gz AHHAGRLSXIGALB-MGPQQGTHSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@@H]1CCOCC[NH+]1C/C=C/C[N@H+]1CCOCC[C@@H]1C ZINC000374976518 391177135 /nfs/dbraw/zinc/17/71/35/391177135.db2.gz GKEHOOKVDMWZFQ-ZOSBBBERSA-N 2 0 282.428 1.764 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)[NH+](C)C ZINC000180182028 391215537 /nfs/dbraw/zinc/21/55/37/391215537.db2.gz ACORKRMMPCTGRR-BZUAXINKSA-N 2 0 289.423 1.888 10 0 CDAERP CC(C)[NH2+]CCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000193476193 391461376 /nfs/dbraw/zinc/46/13/76/391461376.db2.gz VMPSUPALZHVLDT-ZBFHGGJFSA-N 2 0 265.445 1.933 10 0 CDAERP CS[C@@H]1CC[C@H]1[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000425333765 391467711 /nfs/dbraw/zinc/46/77/11/391467711.db2.gz FQLJUDLEWNGCGN-BFHYXJOUSA-N 2 0 271.474 1.496 10 0 CDAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCC[NH2+]C1CCCCCC1 ZINC000418447456 391512506 /nfs/dbraw/zinc/51/25/06/391512506.db2.gz PPZHCEQKAKWOFD-DZGCQCFKSA-N 2 0 296.459 1.596 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000417883409 391565844 /nfs/dbraw/zinc/56/58/44/391565844.db2.gz VUSORIYOGPRUPU-BYCMXARLSA-N 2 0 292.427 1.005 10 0 CDAERP CC(C)[NH+](CCCNC(=O)N[C@H](C)[C@H](C)[NH3+])C(C)C ZINC000417805903 391493134 /nfs/dbraw/zinc/49/31/34/391493134.db2.gz ZNYCVIGOULVALW-QWHCGFSZSA-N 2 0 272.437 1.530 10 0 CDAERP CC(C)OC1CC([NH2+]CCCC[NH+]2CCOCC2)C1 ZINC000189519830 391561738 /nfs/dbraw/zinc/56/17/38/391561738.db2.gz XNXJWYSVVRQOPD-UHFFFAOYSA-N 2 0 270.417 1.644 10 0 CDAERP COC(=O)COc1ccc(CN[C@H]2CCCC[NH2+]C2)cc1 ZINC000415064282 391741274 /nfs/dbraw/zinc/74/12/74/391741274.db2.gz CGIVTHNIMVIDQN-AWEZNQCLSA-N 2 0 292.379 1.470 10 0 CDAERP CC[C@H]([NH3+])CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000417939136 391736422 /nfs/dbraw/zinc/73/64/22/391736422.db2.gz KDRZUMSDKGBBJS-KKUMJFAQSA-N 2 0 290.411 1.468 10 0 CDAERP C[C@H](CC[NH3+])NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000418134845 391754534 /nfs/dbraw/zinc/75/45/34/391754534.db2.gz QHQAAHSIIKIULQ-PNESKVBLSA-N 2 0 268.405 1.040 10 0 CDAERP CCC[C@@H](C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)[NH+](C)C ZINC000179265142 391775101 /nfs/dbraw/zinc/77/51/01/391775101.db2.gz BEIMRHKIWOTAJD-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP CCC1(C)CC[NH+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC1 ZINC000520736991 391769836 /nfs/dbraw/zinc/76/98/36/391769836.db2.gz OUCJWTKAPIMQDJ-ZDUSSCGKSA-N 2 0 295.427 1.188 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000418195787 391802903 /nfs/dbraw/zinc/80/29/03/391802903.db2.gz GNRRWGHMVUBLSA-BFHYXJOUSA-N 2 0 284.448 1.404 10 0 CDAERP O=C(CC[NH2+]C1CC1)NC1CC([NH+]2CCCCC2)C1 ZINC000516193116 391810506 /nfs/dbraw/zinc/81/05/06/391810506.db2.gz GHHKPZSGWVCENX-UHFFFAOYSA-N 2 0 265.401 1.262 10 0 CDAERP CC(C)[C@@H](C(=O)N1CCC2(CC[NH2+]C2)CC1)[C@H](C)[NH3+] ZINC000335046113 392003619 /nfs/dbraw/zinc/00/36/19/392003619.db2.gz ZQCCFVIJBNRBAQ-QWHCGFSZSA-N 2 0 267.417 1.208 10 0 CDAERP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)C(C)(C)C)CC[C@@H]21 ZINC000250725023 391966313 /nfs/dbraw/zinc/96/63/13/391966313.db2.gz XAHRWOFQEHTWDH-RDBSUJKOSA-N 2 0 254.418 1.810 10 0 CDAERP CN1CC[N@H+](C[C@]2(C)CC[NH2+]C2)Cc2ccccc21 ZINC000261714595 392018496 /nfs/dbraw/zinc/01/84/96/392018496.db2.gz FATMFINTRIXDKI-MRXNPFEDSA-N 2 0 259.397 1.938 10 0 CDAERP C[NH+]1CCC(N2CCC([NH2+]CC3(F)CC3)CC2)CC1 ZINC000525987913 392027938 /nfs/dbraw/zinc/02/79/38/392027938.db2.gz ZEVJLRDDFWHGOM-UHFFFAOYSA-N 2 0 269.408 1.637 10 0 CDAERP CC(C)n1nnnc1CN1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000163290465 392101495 /nfs/dbraw/zinc/10/14/95/392101495.db2.gz ZQRNDZCCSUTNIJ-OLZOCXBDSA-N 2 0 289.387 1.534 10 0 CDAERP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000252544817 392249003 /nfs/dbraw/zinc/24/90/03/392249003.db2.gz ISMJCKAQLJSOPA-OWYFMNJBSA-N 2 0 281.444 1.168 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C1CCC(F)(F)CC1 ZINC000423017543 392278399 /nfs/dbraw/zinc/27/83/99/392278399.db2.gz WNGNLCKHGJWHID-LLVKDONJSA-N 2 0 250.333 1.908 10 0 CDAERP C[NH+]1CCC(C)(C[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)CC1 ZINC000423046563 392296553 /nfs/dbraw/zinc/29/65/53/392296553.db2.gz UBZOMNWWXQSJAC-CABCVRRESA-N 2 0 281.444 1.075 10 0 CDAERP CC(C)C1CC([NH2+]C[C@@H](C)N2CC[NH+](C)CC2)C1 ZINC000488423015 392353863 /nfs/dbraw/zinc/35/38/63/392353863.db2.gz AWADXBOYIHNURI-WLYUNCDWSA-N 2 0 253.434 1.647 10 0 CDAERP C(C[NH2+][C@H]1CCCC[C@@H]1[C@H]1CCOC1)CN1CC[NH2+]CC1 ZINC000423176418 392417511 /nfs/dbraw/zinc/41/75/11/392417511.db2.gz CFFAQISLUPMBJH-BBWFWOEESA-N 2 0 295.471 1.467 10 0 CDAERP C[C@H](C[C@H]1COCC[NH2+]1)NC[C@@H]([NH3+])c1ccccc1 ZINC000423247920 392468762 /nfs/dbraw/zinc/46/87/62/392468762.db2.gz MELUALVMGBGBKN-VHDGCEQUSA-N 2 0 263.385 1.043 10 0 CDAERP CC[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)C(=O)NC ZINC000423164071 392402331 /nfs/dbraw/zinc/40/23/31/392402331.db2.gz NRTRFEFSIBJPPD-XJFOESAGSA-N 2 0 267.417 1.411 10 0 CDAERP O[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423165402 392403894 /nfs/dbraw/zinc/40/38/94/392403894.db2.gz PYFIOPGRIKYGOQ-BTFPBAQTSA-N 2 0 252.402 1.658 10 0 CDAERP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C1CC(F)(F)C1 ZINC000529533559 392473055 /nfs/dbraw/zinc/47/30/55/392473055.db2.gz REQKIXLCHFXERR-PWSUYJOCSA-N 2 0 262.344 1.467 10 0 CDAERP C[C@H](C[NH2+][C@@H](C)C1CC(F)(F)C1)CN1CC[NH+](C)CC1 ZINC000529538458 392475560 /nfs/dbraw/zinc/47/55/60/392475560.db2.gz OEVRPXQBTGEIOZ-OLZOCXBDSA-N 2 0 289.414 1.893 10 0 CDAERP CC(C)C[C@H]([NH2+]CC[C@@H]1CCOC1)C(=O)NCC[NH+](C)C ZINC000437785312 392490721 /nfs/dbraw/zinc/49/07/21/392490721.db2.gz LUZGZXWOOZQUMA-CABCVRRESA-N 2 0 299.459 1.095 10 0 CDAERP [NH3+]C[C@@H]1C[N@H+](CCc2cn[nH]c2)C[C@H]1c1ccccc1 ZINC000380945495 392675723 /nfs/dbraw/zinc/67/57/23/392675723.db2.gz CLVUKYWCFARRHY-CVEARBPZSA-N 2 0 270.380 1.627 10 0 CDAERP CC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)[C@@H](O)C(F)F ZINC000449421892 392774537 /nfs/dbraw/zinc/77/45/37/392774537.db2.gz JWCGLVCSPLMXQD-NWDGAFQWSA-N 2 0 264.360 1.853 10 0 CDAERP C[N@@H+]1CCC[C@H]2CN(C(=O)CN3CC(C)(C)C3)CC[C@H]21 ZINC000517171693 392845997 /nfs/dbraw/zinc/84/59/97/392845997.db2.gz DXFPMHMETYVYOF-UONOGXRCSA-N 2 0 279.428 1.271 10 0 CDAERP C[C@H](CO)[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000268867051 132079472 /nfs/dbraw/zinc/07/94/72/132079472.db2.gz UFDCPYMFQYUWPT-SQWLQELKSA-N 2 0 262.397 1.867 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@H]2CCC(=O)NC2(C)C)CC1 ZINC000495091027 393175834 /nfs/dbraw/zinc/17/58/34/393175834.db2.gz BIOFVFIVTJUWCF-AWEZNQCLSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)(C)C1CC([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000459465068 393177880 /nfs/dbraw/zinc/17/78/80/393177880.db2.gz IMKQYMJTGAMMIR-JXQTWKCFSA-N 2 0 254.418 1.857 10 0 CDAERP C[N@H+](CCCC[NH2+]Cc1cn2cccnc2n1)C1CC1 ZINC000459602409 393260586 /nfs/dbraw/zinc/26/05/86/393260586.db2.gz ZMCVRRWEUFBCAQ-UHFFFAOYSA-N 2 0 273.384 1.693 10 0 CDAERP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cn3cccnc3n2)C1 ZINC000459782750 393355948 /nfs/dbraw/zinc/35/59/48/393355948.db2.gz MWMGDARKTMBQEV-ZDUSSCGKSA-N 2 0 273.384 1.551 10 0 CDAERP Cc1cc(NC(=O)CC[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)no1 ZINC000656153356 413061136 /nfs/dbraw/zinc/06/11/36/413061136.db2.gz PVUOGNFMPSKSOZ-TXEJJXNPSA-N 2 0 280.372 1.241 10 0 CDAERP Cc1ccccc1OC[C@H](O)C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656153295 413061762 /nfs/dbraw/zinc/06/17/62/413061762.db2.gz OARVVJUOJSYNKM-OWCLPIDISA-N 2 0 292.423 1.665 10 0 CDAERP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C1CC(CF)(CF)C1 ZINC000657883569 413070242 /nfs/dbraw/zinc/07/02/42/413070242.db2.gz ZEKJLAWJWAREQK-LBPRGKRZSA-N 2 0 275.387 1.300 10 0 CDAERP COCCN1CCC[C@H]1C[NH2+][C@@H](C)c1cn(C)nc1C ZINC000178561514 140005544 /nfs/dbraw/zinc/00/55/44/140005544.db2.gz WKABRLSDZPZTFS-JSGCOSHPSA-N 2 0 280.416 1.490 10 0 CDAERP CC(C)CC[NH+]1CCC(CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000188790467 140100991 /nfs/dbraw/zinc/10/09/91/140100991.db2.gz ULWBFRYWMXCNKD-LSDHHAIUSA-N 2 0 299.434 1.561 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCc2ccccc2C1 ZINC000234746756 140231017 /nfs/dbraw/zinc/23/10/17/140231017.db2.gz UPBKHAVJIKKDSY-HZPDHXFCSA-N 2 0 262.397 1.887 10 0 CDAERP CCOC(=O)[C@@H](C)N1CC[C@@H](CNc2ccccn2)C1 ZINC000249806432 140300162 /nfs/dbraw/zinc/30/01/62/140300162.db2.gz BKEFMMKZXJYFOI-OLZOCXBDSA-N 2 0 277.368 1.767 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000253191314 140330807 /nfs/dbraw/zinc/33/08/07/140330807.db2.gz XLBWWHPAFVREKO-KBPBESRZSA-N 2 0 282.432 1.064 10 0 CDAERP CCCn1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cn1 ZINC000261567682 140350380 /nfs/dbraw/zinc/35/03/80/140350380.db2.gz IIPPPTJFLMLIBZ-ZNMIVQPWSA-N 2 0 262.401 1.852 10 0 CDAERP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000261712225 140379220 /nfs/dbraw/zinc/37/92/20/140379220.db2.gz VMEINHOEBRMGEX-SOULVHCYSA-N 2 0 265.401 1.151 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000261797550 140390843 /nfs/dbraw/zinc/39/08/43/140390843.db2.gz QQBIFWNAFDGFED-AAVRWANBSA-N 2 0 265.401 1.104 10 0 CDAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@H]1C[C@H]1C1CCCC1 ZINC000651263730 397897937 /nfs/dbraw/zinc/89/79/37/397897937.db2.gz DYOXJULRXWXXLK-HOTGVXAUSA-N 2 0 295.471 1.765 10 0 CDAERP CC(C)[NH2+]CCC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000040809249 397901129 /nfs/dbraw/zinc/90/11/29/397901129.db2.gz DPDYCPLFUJFQPD-HNNXBMFYSA-N 2 0 277.412 1.794 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000300409199 398095122 /nfs/dbraw/zinc/09/51/22/398095122.db2.gz PBEMEMUEEIGELR-RWMBFGLXSA-N 2 0 255.406 1.208 10 0 CDAERP CN(CCC[NH+](C)C)CCNc1nc(C2CCC2)no1 ZINC000664244357 413179954 /nfs/dbraw/zinc/17/99/54/413179954.db2.gz GXTNMTXSSPHAJZ-UHFFFAOYSA-N 2 0 281.404 1.633 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662619337 413199980 /nfs/dbraw/zinc/19/99/80/413199980.db2.gz KHKBEWCXKAKNNO-RYUDHWBXSA-N 2 0 255.406 1.349 10 0 CDAERP CC[C@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)[C@@H]1CCOC1 ZINC000658110082 413211130 /nfs/dbraw/zinc/21/11/30/413211130.db2.gz ZQEOYGDOYOOCKC-XHSDSOJGSA-N 2 0 285.476 1.663 10 0 CDAERP CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000658108746 413212071 /nfs/dbraw/zinc/21/20/71/413212071.db2.gz ROJMQXURBQLNSD-IHRRRGAJSA-N 2 0 259.438 1.271 10 0 CDAERP c1cn(CCC[N@@H+]2CC[C@@H](Oc3cccnc3)C2)cn1 ZINC000183187180 148288763 /nfs/dbraw/zinc/28/87/63/148288763.db2.gz PJVZKRJDDBEMGR-OAHLLOKOSA-N 2 0 272.352 1.822 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@@H+]1C ZINC000262653675 149090527 /nfs/dbraw/zinc/09/05/27/149090527.db2.gz BJEHYQFXWDOXGE-SDKNFDLMSA-N 2 0 293.455 1.848 10 0 CDAERP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1ccccc1 ZINC000312865413 149239507 /nfs/dbraw/zinc/23/95/07/149239507.db2.gz SLUXGUXYLSWBJX-OKILXGFUSA-N 2 0 273.380 1.557 10 0 CDAERP Cc1nc2ccccn2c1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000334858395 150000669 /nfs/dbraw/zinc/00/06/69/150000669.db2.gz SMHXGJDMLONDHL-AAEUAGOBSA-N 2 0 258.369 1.730 10 0 CDAERP Cc1cc(C)c(CNC(=O)N[C@H]2CC[NH2+]C[C@H]2C)cn1 ZINC000334964578 150127363 /nfs/dbraw/zinc/12/73/63/150127363.db2.gz ODEVJQCGMMGZMF-RISCZKNCSA-N 2 0 276.384 1.496 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000423397267 297107777 /nfs/dbraw/zinc/10/77/77/297107777.db2.gz OHMHQUBKZPVKJX-UXXRCYHCSA-N 2 0 251.418 1.447 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC000336092302 151261674 /nfs/dbraw/zinc/26/16/74/151261674.db2.gz HFBIXZXPHHXWNO-GOEBONIOSA-N 2 0 294.443 1.208 10 0 CDAERP COc1ccc([C@H](CCO)[NH2+][C@H]2CN(C)C[C@@H]2C)cc1 ZINC000343098970 152031051 /nfs/dbraw/zinc/03/10/51/152031051.db2.gz TXZPLVPBXQLEKH-RCBQFDQVSA-N 2 0 278.396 1.658 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCOC2)[C@H](C)C1 ZINC000343956705 152369560 /nfs/dbraw/zinc/36/95/60/152369560.db2.gz ATMHQAPTEMDDAN-OAGGEKHMSA-N 2 0 284.444 1.892 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[C@H](C[NH+](C)C)C1 ZINC000346200286 153094666 /nfs/dbraw/zinc/09/46/66/153094666.db2.gz MBYHUBWFOCIRSG-OAHLLOKOSA-N 2 0 299.422 1.959 10 0 CDAERP CCC[NH+]1CCC([NH2+][C@@H]2C[C@@H](O)C23CCC3)CC1 ZINC000658251429 413312557 /nfs/dbraw/zinc/31/25/57/413312557.db2.gz HDDNLYLCRQKAAT-ZIAGYGMSSA-N 2 0 252.402 1.754 10 0 CDAERP [NH3+][C@@H](C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)C1CCC1 ZINC000662687160 413315024 /nfs/dbraw/zinc/31/50/24/413315024.db2.gz UWGSKVUYDCWHTJ-HUUCEWRRSA-N 2 0 289.379 1.413 10 0 CDAERP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)CC[C@H](C)[NH3+] ZINC000662693888 413328865 /nfs/dbraw/zinc/32/88/65/413328865.db2.gz MQYJALJXWJVRFN-QWHCGFSZSA-N 2 0 255.406 1.350 10 0 CDAERP [NH3+][C@@H](c1cn([C@@H]2CC[NH2+]C2)nn1)c1ccc(Cl)cc1 ZINC000656468810 413329239 /nfs/dbraw/zinc/32/92/39/413329239.db2.gz TYVIFXDWRFVROJ-DGCLKSJQSA-N 2 0 277.759 1.514 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](C2CC2)C1 ZINC000355570057 157122519 /nfs/dbraw/zinc/12/25/19/157122519.db2.gz DEUOIMZXNKPPMP-CYBMUJFWSA-N 2 0 253.390 1.023 10 0 CDAERP CC[N@H+](CCCNC1=[NH+]CCCN1)C1CCCCC1 ZINC000656508409 413362961 /nfs/dbraw/zinc/36/29/61/413362961.db2.gz BODFFKTXKPKWMU-UHFFFAOYSA-N 2 0 266.433 1.970 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)[C@H]1COCCN1C1CCCC1 ZINC000662731644 413396254 /nfs/dbraw/zinc/39/62/54/413396254.db2.gz HXYPZKAXKXWEPM-HUUCEWRRSA-N 2 0 297.443 1.119 10 0 CDAERP [NH3+]C1(CC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000662747423 413421627 /nfs/dbraw/zinc/42/16/27/413421627.db2.gz XLVUAGZUNVOKPE-ZDUSSCGKSA-N 2 0 265.401 1.202 10 0 CDAERP C[C@@H](NC(=O)NCCC[NH+]1CCC(C)CC1)[C@H](C)[NH3+] ZINC000416870621 286971117 /nfs/dbraw/zinc/97/11/17/286971117.db2.gz IPWPBRFVKLHNAM-QWHCGFSZSA-N 2 0 270.421 1.143 10 0 CDAERP CC(C)[NH+](CCNC(=O)[C@H]1CC[C@H](C)[NH2+]C1)C(C)C ZINC000019440986 170802339 /nfs/dbraw/zinc/80/23/39/170802339.db2.gz ZFWNIZZNPXGXGM-KBPBESRZSA-N 2 0 269.433 1.610 10 0 CDAERP CN(C[C@@H]1Cc2ccccc2C[NH2+]1)C1CC[NH+](C)CC1 ZINC000020073320 170983946 /nfs/dbraw/zinc/98/39/46/170983946.db2.gz AUMQUTSBRODSKP-INIZCTEOSA-N 2 0 273.424 1.727 10 0 CDAERP [NH3+]C[C@@H](c1ccccc1)N1CC[NH+](CC2CC2)CC1 ZINC000020179403 171044184 /nfs/dbraw/zinc/04/41/84/171044184.db2.gz WRRMGDWYAGUANC-INIZCTEOSA-N 2 0 259.397 1.714 10 0 CDAERP CC[NH+]1CCN(C[C@@H]([NH3+])c2ccccc2OC)CC1 ZINC000022566396 171392472 /nfs/dbraw/zinc/39/24/72/171392472.db2.gz HEBSEEZEWWWOOH-CQSZACIVSA-N 2 0 263.385 1.333 10 0 CDAERP [NH3+]CC1(CCNC(=O)[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000653216179 412143227 /nfs/dbraw/zinc/14/32/27/412143227.db2.gz QQUAWNSHOUTAFG-CQSZACIVSA-N 2 0 273.380 1.119 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC1(C[NH3+])CC1 ZINC000653221494 412147883 /nfs/dbraw/zinc/14/78/83/412147883.db2.gz ZEYFRXYDMQYLBQ-VXGBXAGGSA-N 2 0 253.390 1.104 10 0 CDAERP O=C(N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)C1([NH2+]C2CC2)CCC1 ZINC000662786404 413497738 /nfs/dbraw/zinc/49/77/38/413497738.db2.gz WDPDKHFUMDBNPH-ZIAGYGMSSA-N 2 0 291.439 1.509 10 0 CDAERP [NH3+]C1(C(=O)NC2CC([NH+]3CCCCC3)C2)CC2(CCC2)C1 ZINC000662793309 413511409 /nfs/dbraw/zinc/51/14/09/413511409.db2.gz KDDICTMQNHSBGP-UHFFFAOYSA-N 2 0 291.439 1.781 10 0 CDAERP O=C(C[C@H]1[NH2+]Cc2ccccc21)NCCC[NH2+]C1CC1 ZINC000662823383 413549875 /nfs/dbraw/zinc/54/98/75/413549875.db2.gz HKWAYEAMABXUOU-OAHLLOKOSA-N 2 0 273.380 1.479 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000660844659 413559727 /nfs/dbraw/zinc/55/97/27/413559727.db2.gz SBXPVSHYTUDZFY-CHWSQXEVSA-N 2 0 284.448 1.499 10 0 CDAERP CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000662885699 413653522 /nfs/dbraw/zinc/65/35/22/413653522.db2.gz VDESXRUIHZNQDH-DFBGVHRSSA-N 2 0 291.395 1.659 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000662851905 413606156 /nfs/dbraw/zinc/60/61/56/413606156.db2.gz FIIRVNMLZDIRHT-STQMWFEESA-N 2 0 281.444 1.754 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000659292966 413682601 /nfs/dbraw/zinc/68/26/01/413682601.db2.gz STKFGJQRVGLTSU-CABCVRRESA-N 2 0 297.443 1.216 10 0 CDAERP CCN(C(=O)N[C@@H](C)C[NH+](C)C(C)C)[C@H]1CC[N@H+](CC)C1 ZINC000664919642 413732403 /nfs/dbraw/zinc/73/24/03/413732403.db2.gz HMGDBJNDWPPHPF-GJZGRUSLSA-N 2 0 298.475 1.841 10 0 CDAERP CC(C)([NH3+])CCC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659364817 413747837 /nfs/dbraw/zinc/74/78/37/413747837.db2.gz BIRDJYYXAPCTDT-AWEZNQCLSA-N 2 0 291.395 1.804 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000659437915 413821817 /nfs/dbraw/zinc/82/18/17/413821817.db2.gz SDNOYSCKKDTENA-HZSPNIEDSA-N 2 0 282.432 1.286 10 0 CDAERP CCS(=O)(=O)C1(C[NH2+]C2CCC(C[NH3+])CC2)CC1 ZINC000665275977 414008079 /nfs/dbraw/zinc/00/80/79/414008079.db2.gz WNAIZWRJYRKXBQ-UHFFFAOYSA-N 2 0 274.430 1.061 10 0 CDAERP COC[C@H]([NH2+]CC[C@@H]([NH3+])C(C)C)C1CCOCC1 ZINC000665282045 414020608 /nfs/dbraw/zinc/02/06/08/414020608.db2.gz PNTSQXHDYUFPHQ-KGLIPLIRSA-N 2 0 258.406 1.391 10 0 CDAERP COC1CC(CC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000665230198 413955073 /nfs/dbraw/zinc/95/50/73/413955073.db2.gz LCEYHAFAUZVQLS-MTERUZRBSA-N 2 0 282.428 1.548 10 0 CDAERP COC[C@H](CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)OC ZINC000665234296 413958059 /nfs/dbraw/zinc/95/80/59/413958059.db2.gz ALPLQJSDSFWNEW-RQJABVFESA-N 2 0 256.390 1.016 10 0 CDAERP CO[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)[C@@H]1CCOC1 ZINC000665234637 413958283 /nfs/dbraw/zinc/95/82/83/413958283.db2.gz HQLOHHPHXVUDBT-REWJHTLYSA-N 2 0 256.390 1.016 10 0 CDAERP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC000665235122 413963122 /nfs/dbraw/zinc/96/31/22/413963122.db2.gz QCERTXGQYUUOEQ-QWHCGFSZSA-N 2 0 288.457 1.179 10 0 CDAERP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)[C@H]1CCOC1 ZINC000665235472 413963939 /nfs/dbraw/zinc/96/39/39/413963939.db2.gz WLJYQAVHYNFIDQ-MZBWOGCUSA-N 2 0 296.455 1.938 10 0 CDAERP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665257905 413982630 /nfs/dbraw/zinc/98/26/30/413982630.db2.gz XXIPXAIMHXCLOW-YYQUZTFQSA-N 2 0 291.414 1.811 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCN(C2CCCCC2)C1 ZINC000665267044 414001005 /nfs/dbraw/zinc/00/10/05/414001005.db2.gz OQZHFAGFMZUWJA-LSDHHAIUSA-N 2 0 283.460 1.737 10 0 CDAERP COc1ccnc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1F ZINC000665267388 414002009 /nfs/dbraw/zinc/00/20/09/414002009.db2.gz VTJMZLOGRDEGPO-GRYCIOLGSA-N 2 0 279.359 1.707 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000659619686 414029600 /nfs/dbraw/zinc/02/96/00/414029600.db2.gz RHWTWAPPNKJIPV-WCQYABFASA-N 2 0 270.421 1.129 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000659625345 414039753 /nfs/dbraw/zinc/03/97/53/414039753.db2.gz SFLUKRMZYSGKPX-CQSZACIVSA-N 2 0 284.448 1.343 10 0 CDAERP CC[C@H]1C[C@@H]([NH2+]CCCC[NH+]2CCOCC2)CO1 ZINC000657312237 414153266 /nfs/dbraw/zinc/15/32/66/414153266.db2.gz GHHGEZBRYDKRNT-KGLIPLIRSA-N 2 0 256.390 1.256 10 0 CDAERP CN(CC[NH+]1CCCC1)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000665365723 414119128 /nfs/dbraw/zinc/11/91/28/414119128.db2.gz JZKYSFMYTIPUER-CQSZACIVSA-N 2 0 296.459 1.596 10 0 CDAERP CC[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCCOC)CC2)CO1 ZINC000657343508 414185313 /nfs/dbraw/zinc/18/53/13/414185313.db2.gz PEQDOEZJHYSFGU-HUUCEWRRSA-N 2 0 270.417 1.644 10 0 CDAERP COc1ccc(C[C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cn1 ZINC000655803903 414197340 /nfs/dbraw/zinc/19/73/40/414197340.db2.gz HKYVLAGWLNCJMQ-AEGPPILISA-N 2 0 277.412 1.951 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CN1C1CC1 ZINC000657389632 414271725 /nfs/dbraw/zinc/27/17/25/414271725.db2.gz NELNHOYOHZFQGM-UONOGXRCSA-N 2 0 297.406 1.982 10 0 CDAERP C[NH+](C)C[C@H]1CC[N@H+](CC2(O)CCSCC2)C1 ZINC000659928590 414272275 /nfs/dbraw/zinc/27/22/75/414272275.db2.gz WAKOFNQEJKNWLP-GFCCVEGCSA-N 2 0 258.431 1.128 10 0 CDAERP C[C@@]12COC[C@@H]1C[NH+](CCC[N@H+]1C[C@H]3COC[C@]3(C)C1)C2 ZINC000661697367 414289407 /nfs/dbraw/zinc/28/94/07/414289407.db2.gz BHMPEROXDUZWMN-LUKYLMHMSA-N 2 0 294.439 1.313 10 0 CDAERP c1cc(CCC[NH2+]CC23CC(C2)C[NH2+]3)cc2c1OCC2 ZINC000663499958 414297138 /nfs/dbraw/zinc/29/71/38/414297138.db2.gz HGGOMCSTQCYDTI-UHFFFAOYSA-N 2 0 272.392 1.896 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2ccccc2)CC1 ZINC000663503522 414306808 /nfs/dbraw/zinc/30/68/08/414306808.db2.gz OKCHZTFHSQTJHW-UHFFFAOYSA-N 2 0 289.423 1.767 10 0 CDAERP CCN(C(=O)N[C@H](C)C[NH+]1CCCCC1)[C@@H]1CC[N@H+](C)C1 ZINC000663640654 414383819 /nfs/dbraw/zinc/38/38/19/414383819.db2.gz GFLLQHOYTFEBNN-HUUCEWRRSA-N 2 0 296.459 1.596 10 0 CDAERP CC[NH+](CC)CCC[C@@H](C)[NH2+]C[C@H](O)COCC1CC1 ZINC000037853162 173805126 /nfs/dbraw/zinc/80/51/26/173805126.db2.gz BJRZQMRWHULFHU-ZBFHGGJFSA-N 2 0 286.460 1.874 10 0 CDAERP CC[N@H+](C[C@H]1CCCO1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662254676 414591082 /nfs/dbraw/zinc/59/10/82/414591082.db2.gz SNADJRXJQJRGBM-CHWSQXEVSA-N 2 0 254.374 1.008 10 0 CDAERP COc1ccc(C[N@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)cc1C ZINC000662258425 414594301 /nfs/dbraw/zinc/59/43/01/414594301.db2.gz UQMZJNRENAWNIT-HNNXBMFYSA-N 2 0 290.407 1.956 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662263019 414599770 /nfs/dbraw/zinc/59/97/70/414599770.db2.gz KBKZWYDLADROLQ-LSDHHAIUSA-N 2 0 281.444 1.171 10 0 CDAERP c1ccc(C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C2CC2)nc1 ZINC000662278185 414608898 /nfs/dbraw/zinc/60/88/98/414608898.db2.gz XNPYTMJMRKIHAD-OAHLLOKOSA-N 2 0 273.380 1.567 10 0 CDAERP CCn1cc(C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C(C)C)cn1 ZINC000662286113 414615952 /nfs/dbraw/zinc/61/59/52/414615952.db2.gz OELGSRQKGLSKKV-OAHLLOKOSA-N 2 0 292.427 1.634 10 0 CDAERP CC1(C)C[N@H+](CCOCC[NH3+])CCc2ccccc21 ZINC000662299244 414624129 /nfs/dbraw/zinc/62/41/29/414624129.db2.gz MRTUCWNGNCRBCU-UHFFFAOYSA-N 2 0 262.397 1.798 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC[C@@H](O)C[NH+](C)CC ZINC000662180649 414555849 /nfs/dbraw/zinc/55/58/49/414555849.db2.gz TVHSGFCZLNAAAL-CYBMUJFWSA-N 2 0 259.438 1.009 10 0 CDAERP C[NH+](C)CCC[C@H]1C[N@H+](C[C@@H]2CCOC2)CCO1 ZINC000662320352 414637775 /nfs/dbraw/zinc/63/77/75/414637775.db2.gz BGVQCNUEXFTWOP-KBPBESRZSA-N 2 0 256.390 1.066 10 0 CDAERP CCOCCC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662323256 414639147 /nfs/dbraw/zinc/63/91/47/414639147.db2.gz XOMHAJKIUOKXBV-AWEZNQCLSA-N 2 0 258.406 1.456 10 0 CDAERP O=C([C@@H]1CCC[N@@H+]1C1CCCCC1)N1CC[NH2+]CC1 ZINC000040508120 174302693 /nfs/dbraw/zinc/30/26/93/174302693.db2.gz XJGVHPCXHXTJOH-AWEZNQCLSA-N 2 0 265.401 1.215 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C2CCC3(CC2)OCCO3)C1 ZINC000040621888 174354999 /nfs/dbraw/zinc/35/49/99/174354999.db2.gz MDIQJIKQMCXSHJ-AWEZNQCLSA-N 2 0 282.428 1.992 10 0 CDAERP CO[C@@H]1C[NH2+][C@H](C(=O)Nc2ccc(C[NH+](C)C)cc2)C1 ZINC000040633538 174360016 /nfs/dbraw/zinc/36/00/16/174360016.db2.gz PVRVCYSZDDKUFG-KBPBESRZSA-N 2 0 277.368 1.064 10 0 CDAERP CO[C@@H]1C[NH2+][C@H](CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000040637327 174361657 /nfs/dbraw/zinc/36/16/57/174361657.db2.gz UNNFLYJHPYLYLL-IRXDYDNUSA-N 2 0 289.423 1.181 10 0 CDAERP C[C@@H](CN1CCC([NH+]2CCCCC2)CC1)C(N)=[NH2+] ZINC000040694101 174377958 /nfs/dbraw/zinc/37/79/58/174377958.db2.gz PDPDUJLRWCBJIC-LBPRGKRZSA-N 2 0 252.406 1.509 10 0 CDAERP CC[C@H]([NH3+])[C@H](c1cnn(C)c1)N1CC[NH+](CC2CC2)CC1 ZINC000043129213 174979705 /nfs/dbraw/zinc/97/97/05/174979705.db2.gz VTIAZBQMPVOFFN-HOTGVXAUSA-N 2 0 291.443 1.226 10 0 CDAERP C[C@H]1CCC[C@@](CN[C@@H]2CCC[NH2+]C2)([NH+](C)C)C1 ZINC000043327463 175008880 /nfs/dbraw/zinc/00/88/80/175008880.db2.gz XIPSPLOOXOPAPG-RRFJBIMHSA-N 2 0 253.434 1.839 10 0 CDAERP CC[C@H]([NH3+])[C@@H](c1ccco1)N1CCC[N@H+](C)CC1 ZINC000043334615 175010721 /nfs/dbraw/zinc/01/07/21/175010721.db2.gz ZCUBWTQQOMTGMX-JSGCOSHPSA-N 2 0 251.374 1.696 10 0 CDAERP O=C(Nc1ccccc1C[NH+]1CCCC1)[C@@H]1C[NH2+]CCO1 ZINC000043715848 175104565 /nfs/dbraw/zinc/10/45/65/175104565.db2.gz CQWPWDSSUXAXBG-HNNXBMFYSA-N 2 0 289.379 1.209 10 0 CDAERP CC[NH2+][C@@H]1CCCCC[C@@H]1N1CC[NH+](CC)CC1 ZINC000043805984 175108507 /nfs/dbraw/zinc/10/85/07/175108507.db2.gz QRMYPFHYJZVJQA-CABCVRRESA-N 2 0 253.434 1.935 10 0 CDAERP C[NH2+][C@@H]1CCCCC[C@H]1N1CC[NH+](C(C)C)CC1 ZINC000043896892 175120000 /nfs/dbraw/zinc/12/00/00/175120000.db2.gz NWKHQOYVMZMYPS-HUUCEWRRSA-N 2 0 253.434 1.933 10 0 CDAERP C[NH2+][C@H](CN1CC[NH+](C(C)C)CC1)c1ccccc1OC ZINC000043896903 175120094 /nfs/dbraw/zinc/12/00/94/175120094.db2.gz CGCADGNIOXKDNA-MRXNPFEDSA-N 2 0 291.439 1.982 10 0 CDAERP CCC[NH2+][C@H]1CCC[C@@H]1N1CC[NH+](CC2CC2)CC1 ZINC000043968000 175128830 /nfs/dbraw/zinc/12/88/30/175128830.db2.gz NZEKLIGNUVMRKH-HOTGVXAUSA-N 2 0 265.445 1.935 10 0 CDAERP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc3c(c2)OCO3)C1 ZINC000044535683 175198616 /nfs/dbraw/zinc/19/86/16/175198616.db2.gz JSOWJIVAXMFRLC-CYBMUJFWSA-N 2 0 262.353 1.847 10 0 CDAERP CCC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]CCOCCOC)C1 ZINC000044694056 175235054 /nfs/dbraw/zinc/23/50/54/175235054.db2.gz FSVWLDSBAYTASX-CABCVRRESA-N 2 0 272.433 1.750 10 0 CDAERP CC[C@@H](C[NH3+])C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000044797762 175254830 /nfs/dbraw/zinc/25/48/30/175254830.db2.gz UWERFMMLRVCPQK-WFASDCNBSA-N 2 0 293.411 1.399 10 0 CDAERP C[C@H](CNCCC[NH+]1CCCC1)[NH+]1CCCCC1 ZINC000044992681 175286832 /nfs/dbraw/zinc/28/68/32/175286832.db2.gz HAEJWOHOBKOGAT-OAHLLOKOSA-N 2 0 253.434 1.936 10 0 CDAERP CC(C)[NH2+][C@@](C)(CCCC[NH+]1CCCCC1)C(N)=O ZINC000045378280 175367411 /nfs/dbraw/zinc/36/74/11/175367411.db2.gz HAZIQVCZXMWKRO-HNNXBMFYSA-N 2 0 269.433 1.885 10 0 CDAERP C[NH2+][C@@](C)(CCC[NH+](CC(C)C)CC(C)C)C(N)=O ZINC000045420419 175378394 /nfs/dbraw/zinc/37/83/94/175378394.db2.gz CTLUWVNSVQXOOR-HNNXBMFYSA-N 2 0 271.449 1.844 10 0 CDAERP CCOC(=O)[C@@](C)([NH3+])CCC[N@H+](CC)[C@@H](C)COC ZINC000045421137 175379938 /nfs/dbraw/zinc/37/99/38/175379938.db2.gz QYDIKQWGVXZCCG-JSGCOSHPSA-N 2 0 274.405 1.404 10 0 CDAERP CCOC(=O)[C@@](C)([NH3+])CCCC[N@H+](C)[C@@H](C)COC ZINC000045421400 175380176 /nfs/dbraw/zinc/38/01/76/175380176.db2.gz PKTJVMJUTFDRLD-JSGCOSHPSA-N 2 0 274.405 1.404 10 0 CDAERP C[C@H](C[C@](C)(O)C[NH3+])[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000070521562 175967333 /nfs/dbraw/zinc/96/73/33/175967333.db2.gz QXZSCCOXCPBCLE-ZBFHGGJFSA-N 3 0 283.460 1.283 10 0 CDAERP [NH3+][C@H]1CCC[C@@H](C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000070576718 175992252 /nfs/dbraw/zinc/99/22/52/175992252.db2.gz XHCIZHUWCBGCCP-ILXRZTDVSA-N 2 0 279.428 1.591 10 0 CDAERP CC(C)[NH2+][C@@H]1CCN(CCC[NH+]2CCCC2)C1=O ZINC000071031409 176022345 /nfs/dbraw/zinc/02/23/45/176022345.db2.gz HOLSABQGEMMLMH-CYBMUJFWSA-N 2 0 253.390 1.071 10 0 CDAERP C[NH+](C)CC(C)(C)CN1CCC[C@H]([NH2+]C2CC2)C1=O ZINC000071036145 176025176 /nfs/dbraw/zinc/02/51/76/176025176.db2.gz FFPMRYXYESLEMH-ZDUSSCGKSA-N 2 0 267.417 1.317 10 0 CDAERP CCC(CC)(C[NH3+])C(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000071189101 176064218 /nfs/dbraw/zinc/06/42/18/176064218.db2.gz NDWTWBURVPMBRT-LBPRGKRZSA-N 2 0 255.406 1.162 10 0 CDAERP C[N@H+](C[C@H]1CC[NH+](C)C1)C[C@@H]1CCCCC[C@@H]1O ZINC000071191600 176070142 /nfs/dbraw/zinc/07/01/42/176070142.db2.gz SKMQYLJXZPEQSS-KKUMJFAQSA-N 2 0 254.418 1.811 10 0 CDAERP CC[N@@H+]1CCC[C@@H](N2CCC[C@H]([NH2+]C(C)C)C2)C1 ZINC000071200666 176077768 /nfs/dbraw/zinc/07/77/68/176077768.db2.gz JWXFHWIKDFKMSH-LSDHHAIUSA-N 2 0 253.434 1.933 10 0 CDAERP CCC[NH+]1CCN(Cc2ccc(F)cc2C[NH3+])CC1 ZINC000071249878 176095152 /nfs/dbraw/zinc/09/51/52/176095152.db2.gz WJPXKGHWGKAAIR-UHFFFAOYSA-N 2 0 265.376 1.812 10 0 CDAERP CC[NH+]1CCN(Cc2ccc(F)cc2C[NH3+])CC1 ZINC000071249888 176095173 /nfs/dbraw/zinc/09/51/73/176095173.db2.gz YLWMYAIPBYSQPM-UHFFFAOYSA-N 2 0 251.349 1.422 10 0 CDAERP C(CNC1=[NH+]C[C@H](C2CC2)S1)C[NH+]1CCCC1 ZINC000071308134 176116127 /nfs/dbraw/zinc/11/61/27/176116127.db2.gz FOJSMTNAVCJXMT-GFCCVEGCSA-N 2 0 253.415 1.943 10 0 CDAERP CC(C)(O)C[NH+]1CCN([C@H]2CCCCC[C@H]2C[NH3+])CC1 ZINC000071380524 176145079 /nfs/dbraw/zinc/14/50/79/176145079.db2.gz FDUFBQKCXKIOEJ-GJZGRUSLSA-N 2 0 283.460 1.283 10 0 CDAERP C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC000071870415 176282862 /nfs/dbraw/zinc/28/28/62/176282862.db2.gz HTPMOOZFFMXGEA-CVEARBPZSA-N 2 0 293.455 1.948 10 0 CDAERP CCN1CC[NH+](C[C@@H](CC[NH3+])c2cccs2)CC1 ZINC000076704832 177064321 /nfs/dbraw/zinc/06/43/21/177064321.db2.gz YBLRUAIXVIVRNP-CYBMUJFWSA-N 2 0 267.442 1.818 10 0 CDAERP CC(C)[NH+](CCNC(=O)[C@@]1(C)CCC[NH2+]1)C(C)C ZINC000079510036 177510198 /nfs/dbraw/zinc/51/01/98/177510198.db2.gz QBCFCKNBUSKSGH-CQSZACIVSA-N 2 0 255.406 1.364 10 0 CDAERP CC(C)[N@H+](CC(N)=O)Cc1cccc2c1CC[NH2+]C2 ZINC000662249051 423792808 /nfs/dbraw/zinc/79/28/08/423792808.db2.gz HRKHLAUUPWDRDB-UHFFFAOYSA-N 2 0 261.369 1.028 10 0 CDAERP C[NH2+]C[C@H](C)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000659473774 423796944 /nfs/dbraw/zinc/79/69/44/423796944.db2.gz MSZQGXWEDVBWLL-AEGPPILISA-N 2 0 290.411 1.339 10 0 CDAERP CCn1c(C)nnc1C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662314069 423948640 /nfs/dbraw/zinc/94/86/40/423948640.db2.gz BNDGLFWNPQFUEM-TZMCWYRMSA-N 2 0 279.432 1.946 10 0 CDAERP CCC[NH+]1CCC(NC(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652159051 423981086 /nfs/dbraw/zinc/98/10/86/423981086.db2.gz QRPZBOOYKBFZSW-UHFFFAOYSA-N 2 0 282.432 1.289 10 0 CDAERP CCC([NH3+])(CC)CNC(=O)NCCC[N@H+](C)CC(C)C ZINC000652209283 424080381 /nfs/dbraw/zinc/08/03/81/424080381.db2.gz GDZCAVHZERVVRM-UHFFFAOYSA-N 2 0 286.464 1.781 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]C[C@]2(CO)CCc3ccccc32)CC[N@@H+]1C ZINC000652226268 424086624 /nfs/dbraw/zinc/08/66/24/424086624.db2.gz NJQKWQMDYAQEFL-KYJSFNMBSA-N 2 0 288.435 1.935 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000662401397 424043173 /nfs/dbraw/zinc/04/31/73/424043173.db2.gz UHOJSPKACORBIW-DZKIICNBSA-N 2 0 299.459 1.365 10 0 CDAERP CC[N@@H+]1C[C@@H](C)N(C(=O)NCCC2(C[NH3+])CC2)C[C@@H]1C ZINC000652238987 424118546 /nfs/dbraw/zinc/11/85/46/424118546.db2.gz XZHPCSUIPNGZHR-QWHCGFSZSA-N 2 0 282.432 1.240 10 0 CDAERP C[N@@H+]1CCC[C@H]2CN(C(=O)NCCC3(C[NH3+])CC3)CC[C@H]21 ZINC000652239322 424119168 /nfs/dbraw/zinc/11/91/68/424119168.db2.gz KEOXVXLXAGMTNE-UONOGXRCSA-N 2 0 294.443 1.241 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662480110 424126058 /nfs/dbraw/zinc/12/60/58/424126058.db2.gz PNRNIQLNMTWBGX-LLVKDONJSA-N 2 0 294.399 1.212 10 0 CDAERP CN(C(=O)C1CCC([NH3+])CC1)C1CC[NH+](C)CC1 ZINC000048221074 424130676 /nfs/dbraw/zinc/13/06/76/424130676.db2.gz HEUXLOJIBQBIHK-UHFFFAOYSA-N 2 0 253.390 1.057 10 0 CDAERP C[C@@H]1CC[C@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)CS1 ZINC000655686979 424385629 /nfs/dbraw/zinc/38/56/29/424385629.db2.gz GVPHAQZPFGQKKU-HIFRSBDPSA-N 2 0 285.501 1.886 10 0 CDAERP C[C@H](CNC(=O)CC1([NH3+])CC1)[N@@H+]1CCc2ccccc2C1 ZINC000662698437 424337254 /nfs/dbraw/zinc/33/72/54/424337254.db2.gz MOBNPKZOIPLMSL-CYBMUJFWSA-N 2 0 287.407 1.431 10 0 CDAERP CC[C@@H]1C[N@H+](C)CCN1C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659619022 424415832 /nfs/dbraw/zinc/41/58/32/424415832.db2.gz LSBLFWXEGUBOAT-CHWSQXEVSA-N 2 0 270.421 1.095 10 0 CDAERP C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)CS1 ZINC000655698671 424436437 /nfs/dbraw/zinc/43/64/37/424436437.db2.gz SCCJIZKJILTEDH-HZSPNIEDSA-N 2 0 272.458 1.707 10 0 CDAERP CCCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001667118148 1173236471 /nfs/dbraw/zinc/23/64/71/1173236471.db2.gz LPHBPDTXTASFEM-CABCVRRESA-N 2 0 283.460 1.859 10 0 CDAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]CCCF ZINC001667197046 1173243015 /nfs/dbraw/zinc/24/30/15/1173243015.db2.gz GFWIJPPGENJUSX-OLZOCXBDSA-N 2 0 273.396 1.124 10 0 CDAERP C[C@@H]1C[N@H+](Cc2ccc3c(c2)OCCO3)C[C@@]1(C)C[NH3+] ZINC000312470035 270323559 /nfs/dbraw/zinc/32/35/59/270323559.db2.gz MFRZRHXKQXQZIX-MLGOLLRUSA-N 2 0 276.380 1.875 10 0 CDAERP Cc1c(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cnn1C ZINC000397388553 270349777 /nfs/dbraw/zinc/34/97/77/270349777.db2.gz IUXOFVSAWLMBMP-MDZLAQPJSA-N 2 0 250.390 1.534 10 0 CDAERP COC[C@@H](C)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530247970 271182803 /nfs/dbraw/zinc/18/28/03/271182803.db2.gz FLSIICWXACOTKW-ZFWWWQNUSA-N 2 0 270.417 1.359 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CC2(C(=O)OC)CC2)[C@H](C)C1 ZINC000450571839 276398823 /nfs/dbraw/zinc/39/88/23/276398823.db2.gz SOZYLRCXBQSSPK-OLZOCXBDSA-N 2 0 268.401 1.602 10 0 CDAERP C[NH+](C)CC1CC[NH+]([C@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000044170015 276783147 /nfs/dbraw/zinc/78/31/47/276783147.db2.gz AUBQQKSDVAZADN-DLBZAZTESA-N 2 0 274.408 1.918 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCN1CC[NH+](C2CC2)CC1 ZINC000351611344 277046138 /nfs/dbraw/zinc/04/61/38/277046138.db2.gz ZRLAMZFYUZJABZ-AWEZNQCLSA-N 2 0 251.418 1.641 10 0 CDAERP CC1(C)CC([NH2+]C2CCN(C(N)=O)CC2)CC(C)(C)[NH2+]1 ZINC000037232533 278191153 /nfs/dbraw/zinc/19/11/53/278191153.db2.gz BNXIGJIQHVDSJI-UHFFFAOYSA-N 2 0 282.432 1.428 10 0 CDAERP CC[NH+](CC)CC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000336800566 279092245 /nfs/dbraw/zinc/09/22/45/279092245.db2.gz MTEWDZCAADXXHE-CQSZACIVSA-N 2 0 267.417 1.271 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000041680072 279131906 /nfs/dbraw/zinc/13/19/06/279131906.db2.gz SDPBUOCWROHAAL-AJNGGQMLSA-N 2 0 281.444 1.754 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000104405292 279264083 /nfs/dbraw/zinc/26/40/83/279264083.db2.gz ZDJUCQMSYFGOLE-MRXNPFEDSA-N 2 0 293.455 1.948 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000237067832 279273632 /nfs/dbraw/zinc/27/36/32/279273632.db2.gz HOFQKQXIWQARMA-FZKCQIBNSA-N 2 0 293.455 1.898 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000055131896 279355855 /nfs/dbraw/zinc/35/58/55/279355855.db2.gz CQBCHDFQBWJEBB-OLZOCXBDSA-N 2 0 255.406 1.350 10 0 CDAERP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000335426784 279657944 /nfs/dbraw/zinc/65/79/44/279657944.db2.gz ANNHEIJQEKRDSQ-HOTGVXAUSA-N 2 0 299.418 1.461 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000245203130 280203310 /nfs/dbraw/zinc/20/33/10/280203310.db2.gz ZQSWSBCMCQJXBZ-AJNGGQMLSA-N 2 0 281.444 1.848 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H]2CCC[N@H+](CC)C2)C1 ZINC000246376871 280275534 /nfs/dbraw/zinc/27/55/34/280275534.db2.gz QMVYINRMFFVBRV-LSDHHAIUSA-N 2 0 296.459 1.596 10 0 CDAERP CC(C)[C@H](O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000367922667 280346809 /nfs/dbraw/zinc/34/68/09/280346809.db2.gz CXVRFAMXGVMGOW-LXTVHRRPSA-N 2 0 270.417 1.187 10 0 CDAERP CCN(CC[NH2+]C(C)C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001668431243 1173412878 /nfs/dbraw/zinc/41/28/78/1173412878.db2.gz XMNPZFZXDAVEEF-CQSZACIVSA-N 2 0 267.417 1.175 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC000520818616 281057846 /nfs/dbraw/zinc/05/78/46/281057846.db2.gz VAQSZSUMKDEYBZ-IUCAKERBSA-N 2 0 255.387 1.275 10 0 CDAERP CC[C@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@@H]1N1CCOCC1 ZINC000262012523 288286345 /nfs/dbraw/zinc/28/63/45/288286345.db2.gz VGXJXENGNNUOHF-HOTGVXAUSA-N 2 0 281.444 1.029 10 0 CDAERP CC1(C)CN(C(=O)C[C@H]2CCC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000335734503 281166411 /nfs/dbraw/zinc/16/64/11/281166411.db2.gz OOEPLZUHZDPBJA-QWHCGFSZSA-N 2 0 267.417 1.352 10 0 CDAERP CCN(CC[NH2+]CC(C)C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001668652604 1173436026 /nfs/dbraw/zinc/43/60/26/1173436026.db2.gz RMRMLHQAKZWVHB-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP C[NH+](C)C1(CNC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CCCC1 ZINC000334890895 289048128 /nfs/dbraw/zinc/04/81/28/289048128.db2.gz BZEOAORJXZITHP-KGLIPLIRSA-N 2 0 294.443 1.254 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000153456359 289170308 /nfs/dbraw/zinc/17/03/08/289170308.db2.gz QXJHLAIXYZKXCW-RUXDESIVSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@H](C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)[NH+]1CCCCCC1 ZINC000262847559 289364786 /nfs/dbraw/zinc/36/47/86/289364786.db2.gz RYTTVLJDYTZMJK-MGPQQGTHSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CC[NH+]3CCC2CC3)C1 ZINC000556454561 290269849 /nfs/dbraw/zinc/26/98/49/290269849.db2.gz PELSZRJUOCEVHJ-AWEZNQCLSA-N 2 0 294.443 1.206 10 0 CDAERP C[C@@H]([NH2+]C[C@@H]1CCCCN1CCO)c1ccoc1 ZINC000560349223 293024471 /nfs/dbraw/zinc/02/44/71/293024471.db2.gz DNSIZDBYWFXXGW-OCCSQVGLSA-N 2 0 252.358 1.777 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000561156191 293055837 /nfs/dbraw/zinc/05/58/37/293055837.db2.gz RONWQYDHLBEXDV-HOCLYGCPSA-N 2 0 296.459 1.502 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000422999565 293096658 /nfs/dbraw/zinc/09/66/58/293096658.db2.gz SRKDFOMWKAGFEC-CVEARBPZSA-N 3 0 285.476 1.698 10 0 CDAERP C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000563198367 293307281 /nfs/dbraw/zinc/30/72/81/293307281.db2.gz UKBDEICMBKKLQC-WFASDCNBSA-N 2 0 293.386 1.326 10 0 CDAERP C[C@H]1CC[C@@H]([NH2+]CC(=O)N2CC[NH2+]CC2)c2sccc21 ZINC000564822279 293422520 /nfs/dbraw/zinc/42/25/20/293422520.db2.gz KFANLNFMYFDKES-WCQYABFASA-N 2 0 293.436 1.708 10 0 CDAERP C[C@H](CCCC[NH3+])NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000570841699 294320880 /nfs/dbraw/zinc/32/08/80/294320880.db2.gz LSZXJCGYIZQPNZ-KGLIPLIRSA-N 2 0 269.433 1.885 10 0 CDAERP C[C@@H]1CCN(C(=O)CN2CC(C)(C)C2)C[C@H]1n1ccnc1 ZINC000570861007 294323810 /nfs/dbraw/zinc/32/38/10/294323810.db2.gz KHHRGHROZHWVQK-ZIAGYGMSSA-N 2 0 290.411 1.634 10 0 CDAERP CN(CCC[NH3+])C(=O)NCC1([NH3+])CCCCCC1 ZINC000571537703 294456671 /nfs/dbraw/zinc/45/66/71/294456671.db2.gz IBTVWCRSBMEKHT-UHFFFAOYSA-N 2 0 256.394 1.028 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CC1(O)Cc2ccccc2C1 ZINC000573475908 294826264 /nfs/dbraw/zinc/82/62/64/294826264.db2.gz CBFHXCUCVLQUKE-HUUCEWRRSA-N 2 0 260.381 1.233 10 0 CDAERP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000261741415 295214621 /nfs/dbraw/zinc/21/46/21/295214621.db2.gz ZRPPUACAGIAUBK-VZANTVGXSA-N 2 0 265.401 1.151 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000263228947 297095144 /nfs/dbraw/zinc/09/51/44/297095144.db2.gz NCXYOPIZXAMINT-KQTLUZQSSA-N 2 0 279.428 1.589 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000261700105 303466282 /nfs/dbraw/zinc/46/62/82/303466282.db2.gz IIGUJUNJHZVZES-JKSUJKDBSA-N 2 0 293.455 1.838 10 0 CDAERP CC(C)=CC[NH2+]CCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001670095425 1173653873 /nfs/dbraw/zinc/65/38/73/1173653873.db2.gz KSAGZOSIHMINJW-MRXNPFEDSA-N 2 0 293.455 1.733 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1CC[NH3+] ZINC000563340357 316257329 /nfs/dbraw/zinc/25/73/29/316257329.db2.gz ZNSIUKIVZKOPFZ-HNNXBMFYSA-N 2 0 289.423 1.792 10 0 CDAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2cccc(Cl)c2)CC1 ZINC000563343226 316258824 /nfs/dbraw/zinc/25/88/24/316258824.db2.gz IODBDBFJFMESRI-HNNXBMFYSA-N 2 0 297.830 1.038 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]([NH2+]CCNC(=O)c2ccccc2)C1 ZINC000563427328 316307995 /nfs/dbraw/zinc/30/79/95/316307995.db2.gz YPFIWYIMENLYMQ-KGLIPLIRSA-N 2 0 261.369 1.276 10 0 CDAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC(C)(C)C2CCCC2)CC1 ZINC000575981357 317050619 /nfs/dbraw/zinc/05/06/19/317050619.db2.gz JFQWCTXDTNHPFV-INIZCTEOSA-N 2 0 297.487 1.401 10 0 CDAERP COc1cc(C)c(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c(C)n1 ZINC000575988773 317052754 /nfs/dbraw/zinc/05/27/54/317052754.db2.gz YREYQCDLLMLXDW-QWRGUYRKSA-N 2 0 251.374 1.922 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCc2cncn2C1 ZINC000576403061 317132519 /nfs/dbraw/zinc/13/25/19/317132519.db2.gz PLQLJVNFCHYRLQ-UONOGXRCSA-N 2 0 290.411 1.436 10 0 CDAERP CN1CCC[C@H]1C[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC000577722199 317388037 /nfs/dbraw/zinc/38/80/37/317388037.db2.gz KFDJIXMABFANHF-LSDHHAIUSA-N 2 0 266.360 1.413 10 0 CDAERP CC[C@@H](C(=O)N1CC[C@@H](CC[NH2+]CCF)C1)[NH+](C)C ZINC001672864202 1173805806 /nfs/dbraw/zinc/80/58/06/1173805806.db2.gz XQWIKYXTRCFXTG-OLZOCXBDSA-N 2 0 273.396 1.124 10 0 CDAERP c1cc2c(cc1C[N@@H+]1CCOC[C@@H]1C1CC1)C[NH2+]CC2 ZINC000579483523 324201015 /nfs/dbraw/zinc/20/10/15/324201015.db2.gz QACBIWSVLGUABT-QGZVFWFLSA-N 2 0 272.392 1.943 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN[C@@H]1CC[NH2+]C[C@@H]1C ZINC000583982168 325278113 /nfs/dbraw/zinc/27/81/13/325278113.db2.gz YMFWUKKCJHGNMU-BLLLJJGKSA-N 2 0 285.395 1.663 10 0 CDAERP Cn1nc2c(c1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)CCCC2 ZINC000584123657 327045950 /nfs/dbraw/zinc/04/59/50/327045950.db2.gz DNAVXYKLXDUTLX-NEPJUHHUSA-N 2 0 262.401 1.658 10 0 CDAERP O[C@H](C[NH2+]C[C@@]12C[C@@H]1CCCC2)C[NH+]1CCCC1 ZINC000693623563 1159146921 /nfs/dbraw/zinc/14/69/21/1159146921.db2.gz WRJOVXDEKMNVHO-RRFJBIMHSA-N 2 0 252.402 1.613 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001692387681 1175758788 /nfs/dbraw/zinc/75/87/88/1175758788.db2.gz XUUKSGRKVWSZRX-CABCVRRESA-N 2 0 281.444 1.873 10 0 CDAERP CC(C)CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001731679936 1159326511 /nfs/dbraw/zinc/32/65/11/1159326511.db2.gz CYOFEAGNCLUPHM-CVEARBPZSA-N 2 0 295.471 1.812 10 0 CDAERP CCC(C)(C)NC(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000122294076 1159539925 /nfs/dbraw/zinc/53/99/25/1159539925.db2.gz YZKQBNBYVFNGBL-NEPJUHHUSA-N 2 0 255.406 1.208 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+]CC1CC(C)(C)C1 ZINC001481319544 1159655766 /nfs/dbraw/zinc/65/57/66/1159655766.db2.gz HZJZBYFCOSUXEL-UHFFFAOYSA-N 2 0 283.460 1.811 10 0 CDAERP CC[NH2+]CC[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001732284475 1159774799 /nfs/dbraw/zinc/77/47/99/1159774799.db2.gz KFSJGEIDCPBSAO-AWEZNQCLSA-N 2 0 279.428 1.320 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC/C=C/C[NH2+]CC2CC2)C1 ZINC001268614191 1160000389 /nfs/dbraw/zinc/00/03/89/1160000389.db2.gz SWTBQLHEVXDUIC-OBMMGQTPSA-N 2 0 293.455 1.779 10 0 CDAERP CC(C)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001482476854 1160296522 /nfs/dbraw/zinc/29/65/22/1160296522.db2.gz YEWYCUOKMWZKPF-LSDHHAIUSA-N 2 0 283.460 1.811 10 0 CDAERP CN(Cc1ccnn1-c1cc[nH+]cc1)C[C@@H]1CCC[N@@H+]1C ZINC000668245236 482250998 /nfs/dbraw/zinc/25/09/98/482250998.db2.gz XJJFZDMQCUVBHQ-HNNXBMFYSA-N 2 0 285.395 1.793 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)[C@@]1(C)CCC[NH2+]1)c1ccccc1 ZINC000079519451 482373513 /nfs/dbraw/zinc/37/35/13/482373513.db2.gz TUAUAYCITKXNHN-GDBMZVCRSA-N 2 0 275.396 1.548 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)NCCC2(C[NH3+])CC2)cc1 ZINC000652210055 482457966 /nfs/dbraw/zinc/45/79/66/482457966.db2.gz FPBQLIRGUPUPQB-GFCCVEGCSA-N 2 0 290.411 1.635 10 0 CDAERP Cc1cc(NC[C@H]2COCC[NH2+]2)c2ccccc2[nH+]1 ZINC000235969618 482548908 /nfs/dbraw/zinc/54/89/08/482548908.db2.gz BGHKSTSLIPBMEF-LBPRGKRZSA-N 2 0 257.337 1.944 10 0 CDAERP Cn1nccc1CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000230774400 482571593 /nfs/dbraw/zinc/57/15/93/482571593.db2.gz IMGZKXBBYYSAJW-ZFWWWQNUSA-N 2 0 262.401 1.427 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC(=O)NC2CCCC2)[C@@H]2CCC[C@H]21 ZINC000671751866 482639676 /nfs/dbraw/zinc/63/96/76/482639676.db2.gz XOALLUHTKZITTD-SOUVJXGZSA-N 2 0 279.428 1.508 10 0 CDAERP CC[N@@H+]1CCN(C(=O)CC[C@@H]2CCCC[NH+]2C)C[C@@H]1C ZINC000673036046 482667702 /nfs/dbraw/zinc/66/77/02/482667702.db2.gz JVWYXLNAGRRGIL-GJZGRUSLSA-N 2 0 281.444 1.804 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000257738431 482750308 /nfs/dbraw/zinc/75/03/08/482750308.db2.gz WKZKWWAFWNNEQX-MELADBBJSA-N 2 0 267.417 1.637 10 0 CDAERP Cc1cncc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000402590251 482774097 /nfs/dbraw/zinc/77/40/97/482774097.db2.gz DMQGRDYPMUHEMP-DZGCQCFKSA-N 2 0 260.385 1.544 10 0 CDAERP CO[C@@H]1CCC[C@@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)C1 ZINC000684378001 482782094 /nfs/dbraw/zinc/78/20/94/482782094.db2.gz QUZOUVQTJLSTPZ-IAGOWNOFSA-N 2 0 297.487 1.807 10 0 CDAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1CCC([NH3+])CC1 ZINC000094459738 482789214 /nfs/dbraw/zinc/78/92/14/482789214.db2.gz IICFWTFQPUHRAM-GFJIZPEISA-N 2 0 265.401 1.199 10 0 CDAERP Cn1cc(CC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cn1 ZINC000228333847 482820670 /nfs/dbraw/zinc/82/06/70/482820670.db2.gz BAJZQFOBLHFHLF-CABCVRRESA-N 2 0 262.401 1.427 10 0 CDAERP C[C@H]1CC[N@H+](Cc2ccccc2)CCN1CCC[NH3+] ZINC000666636702 482833251 /nfs/dbraw/zinc/83/32/51/482833251.db2.gz QSJSQUNXZLELGB-HNNXBMFYSA-N 2 0 261.413 1.932 10 0 CDAERP CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC000674054491 482934421 /nfs/dbraw/zinc/93/44/21/482934421.db2.gz RPVCCPOLPJWBHJ-KGLIPLIRSA-N 2 0 282.432 1.064 10 0 CDAERP Cn1c2ccc(C[NH2+][C@H]3CCC[C@@H]([NH3+])C3)cc2sc1=O ZINC000666853944 482951064 /nfs/dbraw/zinc/95/10/64/482951064.db2.gz RWHALFBFENWBBO-NEPJUHHUSA-N 2 0 291.420 1.960 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH2+]Cc3ccccc32)C1 ZINC000250570079 483018686 /nfs/dbraw/zinc/01/86/86/483018686.db2.gz DTUWXTHENAACOT-ZFWWWQNUSA-N 2 0 273.380 1.084 10 0 CDAERP C[C@H](NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1nccn1C ZINC000667253968 483178363 /nfs/dbraw/zinc/17/83/63/483178363.db2.gz MNWMTSKEAIKUKH-STQMWFEESA-N 2 0 289.383 1.137 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@@H]1CCc2nc(C)[nH]c2C1 ZINC000220583681 483254931 /nfs/dbraw/zinc/25/49/31/483254931.db2.gz AYJKALMZADNJLL-CYBMUJFWSA-N 2 0 292.427 1.671 10 0 CDAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CSC2)[C@@H](C)C1 ZINC000679625286 483397432 /nfs/dbraw/zinc/39/74/32/483397432.db2.gz FTOYCAKZEDLGOQ-GXTWGEPZSA-N 2 0 272.458 1.828 10 0 CDAERP CC(C)C[NH2+]C[C@H](C)N1CC[NH+](CC2CC2)CC1 ZINC000052372406 519745636 /nfs/dbraw/zinc/74/56/36/519745636.db2.gz GDYCLKKMFGSEPD-AWEZNQCLSA-N 2 0 253.434 1.648 10 0 CDAERP CC(C)[C@@H](C[NH2+]C1CC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062973153 519794864 /nfs/dbraw/zinc/79/48/64/519794864.db2.gz KITDMVPZZNQZBE-JKSUJKDBSA-N 2 0 265.445 1.933 10 0 CDAERP CC[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[NH2+]CC=C(C)C ZINC001714105458 1178974040 /nfs/dbraw/zinc/97/40/40/1178974040.db2.gz AGDKMRMDJXGYGE-KBPBESRZSA-N 2 0 269.433 1.777 10 0 CDAERP C[NH+](C)CCN1CC[NH+]([C@@H]2CCCCC[C@@H]2C[NH3+])CC1 ZINC000061642676 521763494 /nfs/dbraw/zinc/76/34/94/521763494.db2.gz CSOPJKFJJUFYJH-HZPDHXFCSA-N 3 0 282.476 1.073 10 0 CDAERP C[C@H](C[N@H+](C)CCCCCF)NC(=O)[C@@H]1CCC[NH+]1C ZINC001716472358 1180232478 /nfs/dbraw/zinc/23/24/78/1180232478.db2.gz LRSISZZHZOXCKF-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C[C@@H](C)C[NH2+]C2CC2)CC1 ZINC000055074726 522121622 /nfs/dbraw/zinc/12/16/22/522121622.db2.gz OZMGPHANBWUSEB-UONOGXRCSA-N 2 0 253.434 1.791 10 0 CDAERP C[NH2+]Cc1ccoc1CN1CC[NH+](C(C)C)CC1 ZINC000052480020 522141481 /nfs/dbraw/zinc/14/14/81/522141481.db2.gz TWZURUFKTVHUTK-UHFFFAOYSA-N 2 0 251.374 1.525 10 0 CDAERP CC(C)(C)[NH2+]CC1(C[NH+]2CCC(CO)CC2)CCOCC1 ZINC000052180474 518752721 /nfs/dbraw/zinc/75/27/21/518752721.db2.gz XFIIWXRBJJZHTQ-UHFFFAOYSA-N 2 0 298.471 1.876 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)N1CCN(CC[NH+](C)C)CC1 ZINC000061655334 519663326 /nfs/dbraw/zinc/66/33/26/519663326.db2.gz BRBDNTKQXFWHIH-MRXNPFEDSA-N 2 0 284.492 1.190 10 0 CDAERP CC(C)C[NH+]1CCN([C@@H](c2ccncc2)[C@H](C)[NH3+])CC1 ZINC000055077498 519727595 /nfs/dbraw/zinc/72/75/95/519727595.db2.gz RDODXKGOFVOJPM-GOEBONIOSA-N 2 0 276.428 1.744 10 0 CDAERP CC(C)[NH2+]Cc1cn(CC[N@@H+]2CCC[C@@H](C)C2)nn1 ZINC000052381415 519728680 /nfs/dbraw/zinc/72/86/80/519728680.db2.gz MTSQVNAJNSZIGR-CYBMUJFWSA-N 2 0 265.405 1.508 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CC[C@@H](COC2CC[NH+](C)CC2)O1 ZINC000052596902 519746415 /nfs/dbraw/zinc/74/64/15/519746415.db2.gz BFDJEPNWIULXEV-CVEARBPZSA-N 2 0 284.444 1.890 10 0 CDAERP CC(C)C[NH2+]Cc1cn(CC[NH+]2CCCC2)nn1 ZINC000052377446 519748165 /nfs/dbraw/zinc/74/81/65/519748165.db2.gz KDXUHMHMACKMAY-UHFFFAOYSA-N 2 0 251.378 1.120 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)COc1ccccc1C[NH3+] ZINC000049192225 519793131 /nfs/dbraw/zinc/79/31/31/519793131.db2.gz DWFDNBYOAKCTQP-CQSZACIVSA-N 2 0 293.411 1.227 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000049220407 519793458 /nfs/dbraw/zinc/79/34/58/519793458.db2.gz VEDDBHQUGVWJMP-HZPDHXFCSA-N 2 0 289.423 1.403 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)[C@@H]1CCC[C@@H](C)[NH2+]1 ZINC000049225455 519814172 /nfs/dbraw/zinc/81/41/72/519814172.db2.gz NFJJIAUIRPUXKT-AGIUHOORSA-N 2 0 255.406 1.219 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)C(C)(C)[NH2+]CC)CC1 ZINC000061302392 519843233 /nfs/dbraw/zinc/84/32/33/519843233.db2.gz RPOZRGBFANRDAZ-UHFFFAOYSA-N 2 0 269.433 1.707 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]C)CC1 ZINC000236765413 519853310 /nfs/dbraw/zinc/85/33/10/519853310.db2.gz JDNWDHZYYJYAGB-ZDUSSCGKSA-N 2 0 253.390 1.071 10 0 CDAERP CCC[NH+]1CCN([C@@]2(C[NH3+])CCCSC2)CC1 ZINC000061589893 519859742 /nfs/dbraw/zinc/85/97/42/519859742.db2.gz LXQGHHDBLPOFEV-CYBMUJFWSA-N 2 0 257.447 1.239 10 0 CDAERP CCCC1CC[NH+]([C@@H](C)C(=O)N2CC[NH2+]CC2)CC1 ZINC000050893827 519902723 /nfs/dbraw/zinc/90/27/23/519902723.db2.gz SVUOPWULIZXZPP-ZDUSSCGKSA-N 2 0 267.417 1.319 10 0 CDAERP CCC[NH2+]CC1(CN2CC[NH+](CCC)CC2)CCOCC1 ZINC000052180603 519910858 /nfs/dbraw/zinc/91/08/58/519910858.db2.gz VIFSNJMENQIVKC-UHFFFAOYSA-N 2 0 297.487 1.810 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)NCC[NH+]1CCCCCC1 ZINC000061266980 519962010 /nfs/dbraw/zinc/96/20/10/519962010.db2.gz LKVZBSJOHCYOCJ-ZDUSSCGKSA-N 2 0 255.406 1.224 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000061273555 520065278 /nfs/dbraw/zinc/06/52/78/520065278.db2.gz CGWRFNSVRTZGKG-ZFWWWQNUSA-N 2 0 277.412 1.794 10 0 CDAERP CC[NH2+][C@@H](C)CCN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062979448 520072822 /nfs/dbraw/zinc/07/28/22/520072822.db2.gz UVEZFOBBSLUKQD-GJZGRUSLSA-N 2 0 253.434 1.935 10 0 CDAERP CCC[NH2+][C@H]1CCOC[C@H]1N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055066153 520095545 /nfs/dbraw/zinc/09/55/45/520095545.db2.gz CSBYNZAJCZOHNG-HRCADAONSA-N 2 0 283.460 1.560 10 0 CDAERP CC[NH2+][C@H](CN1CCC(C[NH+](C)C)CC1)C1CC1 ZINC000069074382 520197440 /nfs/dbraw/zinc/19/74/40/520197440.db2.gz VPPRCRFERKYNGM-OAHLLOKOSA-N 2 0 253.434 1.648 10 0 CDAERP CCCO[C@H]1CCC[N@H+](CC[C@@H](C[NH3+])OCC)C1 ZINC000062741113 520286347 /nfs/dbraw/zinc/28/63/47/520286347.db2.gz NATRCVYBPUFNIJ-KBPBESRZSA-N 2 0 258.406 1.631 10 0 CDAERP CCO[C@H](C[NH3+])CCN1CC[NH+]([C@@H](C)CC)CC1 ZINC000062741262 520515781 /nfs/dbraw/zinc/51/57/81/520515781.db2.gz KBIXCFXJDWDCCC-KBPBESRZSA-N 2 0 257.422 1.156 10 0 CDAERP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]([NH3+])CCOC)c1 ZINC000052792657 520758601 /nfs/dbraw/zinc/75/86/01/520758601.db2.gz UANBMONLRHMKAK-OAHLLOKOSA-N 2 0 293.411 1.831 10 0 CDAERP CC[NH+](CC)[C@@H](C)CNC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000156285364 520825990 /nfs/dbraw/zinc/82/59/90/520825990.db2.gz QJDKFQZUQPYLAW-LSDHHAIUSA-N 2 0 298.475 1.698 10 0 CDAERP CCC[C@H](C)NC(=O)CN1CC[NH+](CCCCC[NH3+])CC1 ZINC000049287682 521046317 /nfs/dbraw/zinc/04/63/17/521046317.db2.gz QRDPMSAHARPDHR-HNNXBMFYSA-N 2 0 298.475 1.038 10 0 CDAERP CCC[C@]1(C(=O)N(C)C2CC[NH+](C)CC2)CCC[NH2+]C1 ZINC000062852404 521297179 /nfs/dbraw/zinc/29/71/79/521297179.db2.gz RVUJLSKOVUASBG-INIZCTEOSA-N 2 0 281.444 1.709 10 0 CDAERP CC[NH+]1CCC(C[NH3+])(N2CCC[C@H](C)[C@@H]2C)CC1 ZINC000050563966 521549929 /nfs/dbraw/zinc/54/99/29/521549929.db2.gz QCBOLOLKDXUGBR-KBPBESRZSA-N 2 0 253.434 1.920 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)[C@@H]2[C@H](C)CCC[C@@H]2[NH3+])CC1 ZINC000055129396 521555820 /nfs/dbraw/zinc/55/58/20/521555820.db2.gz YRLTVEYVCWBUPY-VHDGCEQUSA-N 2 0 281.444 1.693 10 0 CDAERP CCOC1CC[NH+](CC2(C[NH2+]C)CCOCC2)CC1 ZINC000052182177 521656189 /nfs/dbraw/zinc/65/61/89/521656189.db2.gz ZYIDAOKBLCFBTG-UHFFFAOYSA-N 2 0 270.417 1.504 10 0 CDAERP CCCN(CC[NH+](C)C)c1ncc([C@H](C)[NH3+])s1 ZINC000054897714 521658562 /nfs/dbraw/zinc/65/85/62/521658562.db2.gz JNKODPWRQCNXDW-JTQLQIEISA-N 2 0 256.419 1.941 10 0 CDAERP CC[NH+]1CCN([C@@H](C[NH2+]CC(C)C)C(C)C)CC1 ZINC000052422180 521692691 /nfs/dbraw/zinc/69/26/91/521692691.db2.gz JDZVYGYCJGELJU-HNNXBMFYSA-N 2 0 255.450 1.894 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000061645045 521863136 /nfs/dbraw/zinc/86/31/36/521863136.db2.gz LKMYJKFTDSHPKT-KGLIPLIRSA-N 2 0 261.369 1.239 10 0 CDAERP C[NH2+]C(C)(C)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000061317739 521933516 /nfs/dbraw/zinc/93/35/16/521933516.db2.gz PBKIPGGDYAYQFW-UHFFFAOYSA-N 2 0 267.417 1.461 10 0 CDAERP C[NH2+]CC1(C[N@H+](CCO)C2CCCC2)CCOCC1 ZINC000052183191 521968227 /nfs/dbraw/zinc/96/82/27/521968227.db2.gz ADTAZKPPHHQOSC-UHFFFAOYSA-N 2 0 270.417 1.240 10 0 CDAERP C[NH2+]C[C@@H]1CC[C@@H](C[NH+]2CCC(C[NH+](C)C)CC2)O1 ZINC000052515431 522058649 /nfs/dbraw/zinc/05/86/49/522058649.db2.gz ZEADAIHSPPCBAX-GJZGRUSLSA-N 3 0 269.433 1.027 10 0 CDAERP C[NH2+]Cc1ccc(C[N@H+](CCOC)[C@@H](C)COC)o1 ZINC000052572326 522116556 /nfs/dbraw/zinc/11/65/56/522116556.db2.gz RDPXIPBKNRKJTO-LBPRGKRZSA-N 2 0 270.373 1.482 10 0 CDAERP C[N@H+](CCc1ccccn1)Cc1ccnc(C(N)=[NH2+])c1 ZINC000068761054 522964485 /nfs/dbraw/zinc/96/44/85/522964485.db2.gz JRIFAWZXBRSURV-UHFFFAOYSA-N 2 0 269.352 1.435 10 0 CDAERP C[N@H+](CCn1cc(C[NH3+])nn1)Cc1ccc(Cl)cc1 ZINC000052346357 522998262 /nfs/dbraw/zinc/99/82/62/522998262.db2.gz FABCJGMWULRSCQ-UHFFFAOYSA-N 2 0 279.775 1.522 10 0 CDAERP C[N@H+](C[C@@H]1CCCCO1)CC1(C[NH3+])CCOCC1 ZINC000052182396 523035057 /nfs/dbraw/zinc/03/50/57/523035057.db2.gz BSYZLKCBRPIRHE-ZDUSSCGKSA-N 2 0 256.390 1.243 10 0 CDAERP COC(=O)CC[N@@H+]1CCC[C@H](C[NH2+]CC(C)C)C1 ZINC000069319510 523071732 /nfs/dbraw/zinc/07/17/32/523071732.db2.gz FGBGZWGLDALKCT-CYBMUJFWSA-N 2 0 256.390 1.507 10 0 CDAERP CC[C@@H]1CC[C@@H](C[NH3+])[C@H]([NH+]2CCN(CC[NH+](C)C)CC2)C1 ZINC000061642687 523353107 /nfs/dbraw/zinc/35/31/07/523353107.db2.gz LPJZUVMHGZMRNB-IXDOHACOSA-N 3 0 296.503 1.319 10 0 CDAERP COCC[N@H+](C)C[C@@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1 ZINC000052572943 523620352 /nfs/dbraw/zinc/62/03/52/523620352.db2.gz OEROXBUPQSSJHN-STQMWFEESA-N 2 0 258.406 1.500 10 0 CDAERP COCC[N@H+](CCC[NH2+]CC(C)C)[C@H](C)COC ZINC000052572311 523693296 /nfs/dbraw/zinc/69/32/96/523693296.db2.gz ZAUWNYCINWHTEX-CQSZACIVSA-N 2 0 260.422 1.605 10 0 CDAERP C[NH+]1CCC(NC(=O)CC[C@@H]2CCCC[NH2+]2)CC1 ZINC000050941727 523770680 /nfs/dbraw/zinc/77/06/80/523770680.db2.gz GSRNNVPVZNDORF-LBPRGKRZSA-N 2 0 253.390 1.119 10 0 CDAERP C[N@@H+]1CCCN(c2ccc(C(N)=[NH2+])cc2Cl)CC1 ZINC000062793962 523813212 /nfs/dbraw/zinc/81/32/12/523813212.db2.gz DLBHCNVTYAICCV-UHFFFAOYSA-N 2 0 266.776 1.766 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)CCC2CCC([NH3+])CC2)C1 ZINC000055136328 523817885 /nfs/dbraw/zinc/81/78/85/523817885.db2.gz MBYIJSRNLUCJPN-JXQTWKCFSA-N 2 0 267.417 1.495 10 0 CDAERP C[N@@H+]1CCC[C@H](CNC(=O)CC[C@@H]2CCCC[NH2+]2)C1 ZINC000050951727 523840849 /nfs/dbraw/zinc/84/08/49/523840849.db2.gz MAWSELJVGCVDCI-KGLIPLIRSA-N 2 0 267.417 1.367 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C[C@@H]2CCC[C@@H]2[NH2+]C)CC1 ZINC000055072382 523954475 /nfs/dbraw/zinc/95/44/75/523954475.db2.gz FOLJPPUCDRSWKM-KKUMJFAQSA-N 2 0 253.434 1.791 10 0 CDAERP CC[C@H](C)[NH+]1CCN([C@@H]2CC3(CC[C@@H]2[NH3+])OCCO3)CC1 ZINC000055065421 523958623 /nfs/dbraw/zinc/95/86/23/523958623.db2.gz DYKBIHMNAQVGIT-SOUVJXGZSA-N 2 0 297.443 1.025 10 0 CDAERP CC[C@H](C)[NH+]1CCN(c2ccccc2C(N)=[NH2+])CC1 ZINC000055067175 523961094 /nfs/dbraw/zinc/96/10/94/523961094.db2.gz SXABKQJMFYWROV-LBPRGKRZSA-N 2 0 260.385 1.891 10 0 CDAERP C[NH+](C)CC(C)(C)CN1CC[C@H](C[NH2+]C2CC2)C1 ZINC000053010814 524045817 /nfs/dbraw/zinc/04/58/17/524045817.db2.gz CYNWIWRLIUZDHQ-CYBMUJFWSA-N 2 0 253.434 1.648 10 0 CDAERP C[NH+](C)CC1CC[NH+](Cc2cccnc2C[NH3+])CC1 ZINC000061656744 524049708 /nfs/dbraw/zinc/04/97/08/524049708.db2.gz ZQIXDXRADPVATQ-UHFFFAOYSA-N 3 0 262.401 1.314 10 0 CDAERP CNC(=O)[C@H]1CCCC[N@@H+]1CCC[C@@H]1CCC[NH2+]1 ZINC000052764489 524112170 /nfs/dbraw/zinc/11/21/70/524112170.db2.gz FEMLUTKAGRXNIH-QWHCGFSZSA-N 2 0 253.390 1.119 10 0 CDAERP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)C1C[NH2+]C1 ZINC000164018098 524239439 /nfs/dbraw/zinc/23/94/39/524239439.db2.gz RITYQXFNNPNZQB-CJNGLKHVSA-N 2 0 287.407 1.233 10 0 CDAERP C[C@H](CNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+])[NH+]1CCCCC1 ZINC000055135343 524386644 /nfs/dbraw/zinc/38/66/44/524386644.db2.gz NFMSSVZOKFHVRR-ILXRZTDVSA-N 2 0 281.444 1.885 10 0 CDAERP C[C@@H](CC[NH2+]C1CC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062972937 524498306 /nfs/dbraw/zinc/49/83/06/524498306.db2.gz JARVPPMAVOUPPE-ZFWWWQNUSA-N 2 0 251.418 1.687 10 0 CDAERP C[C@@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)NCC[NH+]1CCCCC1 ZINC000055138374 524685269 /nfs/dbraw/zinc/68/52/69/524685269.db2.gz RMVSSEIQKDLNDQ-RDBSUJKOSA-N 2 0 267.417 1.352 10 0 CDAERP C[C@@H](C[NH2+]C[C@H]1CCCO1)N1CCC[C@@H]1C[NH+](C)C ZINC000061655062 524740556 /nfs/dbraw/zinc/74/05/56/524740556.db2.gz VSBCMJLNOKGOEG-RRFJBIMHSA-N 2 0 269.433 1.170 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N(C)CC2CC[NH+](C)CC2)CC[NH2+]1 ZINC000235676039 524765513 /nfs/dbraw/zinc/76/55/13/524765513.db2.gz CBUYWCIWNYTGRD-JSGCOSHPSA-N 2 0 267.417 1.175 10 0 CDAERP C[C@H]([NH3+])[C@H](c1ccccn1)N1CCC[C@@H]1C[NH+](C)C ZINC000061642096 524854915 /nfs/dbraw/zinc/85/49/15/524854915.db2.gz QYHQABJSQPTWGW-GZBFAFLISA-N 2 0 262.401 1.496 10 0 CDAERP C[C@H]1c2ccsc2CC[N@H+]1CCn1cc(C[NH3+])nn1 ZINC000052505469 525131663 /nfs/dbraw/zinc/13/16/63/525131663.db2.gz UPMNXSARBVVKQJ-JTQLQIEISA-N 2 0 277.397 1.418 10 0 CDAERP C[C@@H]([NH2+]CCCC[NH+](C)C)C(C)(C)n1cncn1 ZINC000340459158 525435479 /nfs/dbraw/zinc/43/54/79/525435479.db2.gz CBNUCWLHHKLMLY-GFCCVEGCSA-N 2 0 253.394 1.333 10 0 CDAERP C[C@H](c1cccc(N)c1)[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061642311 526080568 /nfs/dbraw/zinc/08/05/68/526080568.db2.gz DUZQMPWRRPIKNJ-CQSZACIVSA-N 2 0 276.428 1.509 10 0 CDAERP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1C[NH2+]C1 ZINC000164017754 526105608 /nfs/dbraw/zinc/10/56/08/526105608.db2.gz RITYQXFNNPNZQB-XJKSGUPXSA-N 2 0 287.407 1.233 10 0 CDAERP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)C1C[NH2+]C1 ZINC000164017991 526118810 /nfs/dbraw/zinc/11/88/10/526118810.db2.gz RITYQXFNNPNZQB-BBRMVZONSA-N 2 0 287.407 1.233 10 0 CDAERP O=C(CC[C@@H]1CCCC[NH2+]1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000050947796 526547174 /nfs/dbraw/zinc/54/71/74/526547174.db2.gz IAUZDYCTGBRHPN-JKSUJKDBSA-N 2 0 293.455 1.996 10 0 CDAERP [NH3+]C1CCC(CC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000055140917 527139751 /nfs/dbraw/zinc/13/97/51/527139751.db2.gz YDQPXLUHITZVFH-WUCCLRPBSA-N 2 0 279.428 1.637 10 0 CDAERP CC[N@H+](Cc1ccc(C(=O)NCC2C[NH2+]C2)cc1)C1CC1 ZINC000262012910 535782886 /nfs/dbraw/zinc/78/28/86/535782886.db2.gz JWPHLWDGRMNXCJ-UHFFFAOYSA-N 2 0 287.407 1.620 10 0 CDAERP COc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1OC ZINC000261656202 536897939 /nfs/dbraw/zinc/89/79/39/536897939.db2.gz YSSBMYHUYIFOLR-WCQYABFASA-N 2 0 264.369 1.791 10 0 CDAERP CC(C)C[C@H]([NH2+][C@@H]1CC[C@@H]1C1CC1)C(=O)NCC[NH+](C)C ZINC000348367355 538287042 /nfs/dbraw/zinc/28/70/42/538287042.db2.gz CHSNTPHJGHDXMO-OAGGEKHMSA-N 2 0 295.471 1.857 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCCN2CCOC2=O)[C@@H](C)C1 ZINC000746471726 576777630 /nfs/dbraw/zinc/77/76/30/576777630.db2.gz MLIXVWUVVRTVFZ-UONOGXRCSA-N 2 0 283.416 1.491 10 0 CDAERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C/C=C(\C)C(=O)OC)C1 ZINC000748823492 576928197 /nfs/dbraw/zinc/92/81/97/576928197.db2.gz AKGSZGVJKBBHTQ-KEQVLUGWSA-N 2 0 298.427 1.538 10 0 CDAERP COC(=O)[C@H]1C[NH2+]CC12CC(C)(C)[NH2+]C(C)(C)C2 ZINC000757184850 577034274 /nfs/dbraw/zinc/03/42/74/577034274.db2.gz MKCSEPMZDYQQIW-SNVBAGLBSA-N 2 0 254.374 1.306 10 0 CDAERP CCOC(=O)[C@@H]1C[NH2+]CC12CC[NH+](C1CC1)CC2 ZINC000757184012 577034278 /nfs/dbraw/zinc/03/42/78/577034278.db2.gz GUOPQKTUPRWCAJ-LBPRGKRZSA-N 2 0 252.358 1.014 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@]2(O)CCSC2)C1 ZINC000925623501 617570303 /nfs/dbraw/zinc/57/03/03/617570303.db2.gz SGGIWECCYIVLPW-NQBHXWOUSA-N 2 0 258.431 1.350 10 0 CDAERP C[C@@H]1CCC[N@@H+]1CCN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925624355 617570901 /nfs/dbraw/zinc/57/09/01/617570901.db2.gz WENVKFMRUTXPOO-MCIONIFRSA-N 2 0 253.434 1.966 10 0 CDAERP CC1(C)[C@@H]([NH2+][C@@H](CO)Cc2ccccc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925639593 617583509 /nfs/dbraw/zinc/58/35/09/617583509.db2.gz CSQZMPASODBIEA-NCOADZHNSA-N 2 0 288.435 1.956 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000926451370 617809729 /nfs/dbraw/zinc/80/97/29/617809729.db2.gz ZCNNHNYZHJMHJU-ZIGZJEJWSA-N 2 0 260.385 1.197 10 0 CDAERP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)C(=O)N1CCCC1 ZINC000925654446 617596925 /nfs/dbraw/zinc/59/69/25/617596925.db2.gz MNDZOXWWOZJJSX-RWMBFGLXSA-N 2 0 267.417 1.493 10 0 CDAERP OC1CCN(CC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925687308 617679772 /nfs/dbraw/zinc/67/97/72/617679772.db2.gz IMEDYJLLKBPUQY-IRXDYDNUSA-N 2 0 295.471 1.201 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cccc(-n2cnnn2)c1 ZINC000925788657 617713069 /nfs/dbraw/zinc/71/30/69/617713069.db2.gz ABZGSPMDWRBWKZ-DYEKYZERSA-N 2 0 286.383 1.168 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000925796936 617724794 /nfs/dbraw/zinc/72/47/94/617724794.db2.gz MIVVXDOHFKCSNM-SYQHCUMBSA-N 2 0 288.457 1.177 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925700467 617741502 /nfs/dbraw/zinc/74/15/02/617741502.db2.gz QEXYBXGJSVEZFO-DGTMBMJNSA-N 2 0 251.418 1.351 10 0 CDAERP CC1(C)[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925708682 617799316 /nfs/dbraw/zinc/79/93/16/617799316.db2.gz SFCJFDQCAYCHLN-GTDBDLECSA-N 3 0 277.456 1.741 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000925827589 617841076 /nfs/dbraw/zinc/84/10/76/617841076.db2.gz AFRQWGDRKZAMEV-SRVKXCTJSA-N 2 0 298.349 1.830 10 0 CDAERP Cc1cc(CC[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])nn1C ZINC000925833848 617860001 /nfs/dbraw/zinc/86/00/01/617860001.db2.gz KVKDLHQFDKSDLJ-UONOGXRCSA-N 2 0 250.390 1.521 10 0 CDAERP Cc1cc(CC[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)nn1C ZINC000925836017 617865200 /nfs/dbraw/zinc/86/52/00/617865200.db2.gz ZDOCKGOAYCIMTO-SMDDNHRTSA-N 2 0 250.390 1.249 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@]1(C(F)(F)F)CCCN1 ZINC000925852724 617889903 /nfs/dbraw/zinc/88/99/03/617889903.db2.gz GIAYAVURCIJUMG-TUAOUCFPSA-N 2 0 279.350 1.778 10 0 CDAERP C[C@H]([NH2+][C@H]1C[C@@H]2CC[C@@H]([NH2+]2)[C@H]1C)C1CC[NH2+]CC1 ZINC000925726941 617969122 /nfs/dbraw/zinc/96/91/22/617969122.db2.gz ARPHPXBGJWZKDJ-WKZARQIDSA-N 3 0 251.418 1.493 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCC[C@H]2C)CC[N@@H+]1C ZINC000897430377 620780011 /nfs/dbraw/zinc/78/00/11/620780011.db2.gz RZZVXAMLJXUQFE-HZSPNIEDSA-N 2 0 267.417 1.317 10 0 CDAERP CCOC[C@H](O)C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000923416461 618327333 /nfs/dbraw/zinc/32/73/33/618327333.db2.gz WUSBMRQMWAQGSW-OCCSQVGLSA-N 2 0 258.406 1.081 10 0 CDAERP Cc1csc(C[C@H]2CCC[N@@H+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)C2)n1 ZINC000923427454 618334207 /nfs/dbraw/zinc/33/42/07/618334207.db2.gz YZADGEWODQBNRM-RFGFWPKPSA-N 2 0 295.452 1.557 10 0 CDAERP [NH3+]CCCCCC[NH2+]Cc1cnn(-c2ccccc2)n1 ZINC000843129551 618693772 /nfs/dbraw/zinc/69/37/72/618693772.db2.gz WCIDVFZQKLLOBI-UHFFFAOYSA-N 2 0 273.384 1.876 10 0 CDAERP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccns1 ZINC000925040120 618825109 /nfs/dbraw/zinc/82/51/09/618825109.db2.gz GXXFIZDGGZKBJW-STQMWFEESA-N 2 0 294.468 1.962 10 0 CDAERP COCCCN(C)CC[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000925141867 620420659 /nfs/dbraw/zinc/42/06/59/620420659.db2.gz FGGBEQOMTGFNEL-JKSUJKDBSA-N 2 0 283.460 1.561 10 0 CDAERP CC[C@@H]1CCN(C(=[NH2+])NC[C@H]2CC[N@H+](CC)C2)C1 ZINC000864453656 620922715 /nfs/dbraw/zinc/92/27/15/620922715.db2.gz YLFSSKHATCHTGI-CHWSQXEVSA-N 2 0 252.406 1.584 10 0 CDAERP CSC1(CNC(=[NH2+])N[C@@H]2C[C@H]2C)CC[NH+](C)CC1 ZINC000864467035 620934011 /nfs/dbraw/zinc/93/40/11/620934011.db2.gz PDISTIHVRHCLAR-GHMZBOCLSA-N 2 0 270.446 1.336 10 0 CDAERP C[C@H]1[C@@H](NC(=O)NCCC[NH2+]C2CCCCC2)CC[N@@H+]1C ZINC000925305704 620970228 /nfs/dbraw/zinc/97/02/28/620970228.db2.gz DNXWDNMSTQRMTQ-ZFWWWQNUSA-N 2 0 296.459 1.691 10 0 CDAERP C[C@@H](NC(=[NH2+])NC[C@H](C)[NH+]1CCCCC1)C1CC1 ZINC000899265061 622129137 /nfs/dbraw/zinc/12/91/37/622129137.db2.gz RUNLSFJWCTYYFU-NWDGAFQWSA-N 2 0 252.406 1.773 10 0 CDAERP C[C@H](NC(=[NH2+])NCC[NH+]1CCC(C)CC1)C1CC1 ZINC000899266053 622130838 /nfs/dbraw/zinc/13/08/38/622130838.db2.gz OXASTCDBHXPDLL-LBPRGKRZSA-N 2 0 252.406 1.631 10 0 CDAERP CC1CCN(C(=[NH2+])NC[C@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000899262889 622135031 /nfs/dbraw/zinc/13/50/31/622135031.db2.gz UIUNKFOTSGWJAM-OAHLLOKOSA-N 2 0 294.443 1.496 10 0 CDAERP C1C[NH2+][C@H](c2noc([C@@H]3CC[NH2+][C@@H]([C@H]4CCCO4)C3)n2)C1 ZINC000900010227 622633060 /nfs/dbraw/zinc/63/30/60/622633060.db2.gz PRDZPANOHHNRAU-YVECIDJPSA-N 2 0 292.383 1.509 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000901326483 624182780 /nfs/dbraw/zinc/18/27/80/624182780.db2.gz IHJFUIKKZLORPC-UONOGXRCSA-N 2 0 267.417 1.413 10 0 CDAERP C1[C@@H]2[C@H]1[C@@H]1O[C@H]2C[C@H]1[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000902453257 624836543 /nfs/dbraw/zinc/83/65/43/624836543.db2.gz OIVYUJQQCLUOOS-DDJMUGOQSA-N 2 0 262.397 1.673 10 0 CDAERP c1cc(C[NH+]2CCC(N[C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)CC2)ccn1 ZINC000902465241 624857150 /nfs/dbraw/zinc/85/71/50/624857150.db2.gz DBFHUBJOEHDXBW-GVDBMIGSSA-N 2 0 286.423 1.529 10 0 CDAERP CN1C[C@H](CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CC1=O ZINC000903211174 625904276 /nfs/dbraw/zinc/90/42/76/625904276.db2.gz BBENPQOXRGZHIS-LXTVHRRPSA-N 2 0 279.428 1.317 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](C)C1 ZINC000903301877 625960418 /nfs/dbraw/zinc/96/04/18/625960418.db2.gz WLXYXDKSNQRFEX-VVLHAWIVSA-N 2 0 297.487 1.806 10 0 CDAERP CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903458549 625994394 /nfs/dbraw/zinc/99/43/94/625994394.db2.gz CWLGGQCDYABVMC-YJNKXOJESA-N 2 0 297.443 1.960 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC(Cn3cnnc3)CC2)C1 ZINC000903461592 625996042 /nfs/dbraw/zinc/99/60/42/625996042.db2.gz VJICSJJXGNXIPA-UONOGXRCSA-N 2 0 263.389 1.118 10 0 CDAERP CC(C)[NH+]1CCN(CCCN[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000903473020 626004214 /nfs/dbraw/zinc/00/42/14/626004214.db2.gz YVZUMBJKWJVJQQ-INIZCTEOSA-N 2 0 294.487 1.277 10 0 CDAERP Cc1cccnc1NC(=O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903498270 626008887 /nfs/dbraw/zinc/00/88/87/626008887.db2.gz BBCARXNVDHNNAP-CHWSQXEVSA-N 2 0 276.384 1.245 10 0 CDAERP C[NH2+]C[C@](C)(O)CN1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000903490805 626010491 /nfs/dbraw/zinc/01/04/91/626010491.db2.gz IVXOAGKBFWDMHV-VHSXEESVSA-N 2 0 284.297 1.323 10 0 CDAERP C[C@]1([C@@H]2CCC[N@H+](C[C@H]3CCC[NH2+]C3)C2)COC(=O)N1 ZINC000903561998 626019841 /nfs/dbraw/zinc/01/98/41/626019841.db2.gz UNPXCFVSLWLQKI-GZBFAFLISA-N 2 0 281.400 1.197 10 0 CDAERP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000903769155 626085908 /nfs/dbraw/zinc/08/59/08/626085908.db2.gz YRVYHQLVEANWAP-ZACQAIPSSA-N 2 0 294.439 1.789 10 0 CDAERP C([C@@H]1CC2(CCC2)CO1)[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903818776 626102180 /nfs/dbraw/zinc/10/21/80/626102180.db2.gz VFHFRJYDUFCUAK-HNNXBMFYSA-N 2 0 294.439 1.790 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)[C@H]2CCSC2)cnn1C ZINC000903880239 626130601 /nfs/dbraw/zinc/13/06/01/626130601.db2.gz OUGQPXUNLPDDAY-JSGCOSHPSA-N 2 0 282.457 1.283 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@@H+](C)CC(C)C)cnn1C ZINC000903880793 626131084 /nfs/dbraw/zinc/13/10/84/626131084.db2.gz VTVZMIYWTWOYIY-ZDUSSCGKSA-N 2 0 252.406 1.434 10 0 CDAERP CCC[C@@H](C)[N@H+](C)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903885882 626133708 /nfs/dbraw/zinc/13/37/08/626133708.db2.gz OGPJFOPPOQVPJJ-OCCSQVGLSA-N 2 0 266.433 1.966 10 0 CDAERP O=C1NC2(CO1)CC[NH+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000903914734 626134200 /nfs/dbraw/zinc/13/42/00/626134200.db2.gz VROGNZIHCVZZIS-YHWZYXNKSA-N 2 0 279.384 1.091 10 0 CDAERP CCCC[N@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000903887163 626134355 /nfs/dbraw/zinc/13/43/55/626134355.db2.gz ZRBQVNWOZILXFF-CQSZACIVSA-N 2 0 277.416 1.967 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCC[C@H]2C)cnn1C ZINC000903892831 626134805 /nfs/dbraw/zinc/13/48/05/626134805.db2.gz NAAIXFGWUFEGBY-DGCLKSJQSA-N 2 0 250.390 1.330 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[NH+]2CCCCC2)cnn1C ZINC000903896868 626136512 /nfs/dbraw/zinc/13/65/12/626136512.db2.gz AHHIQNGGDSHKJN-ZDUSSCGKSA-N 2 0 250.390 1.332 10 0 CDAERP CCCC(C)(C)[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903897818 626136726 /nfs/dbraw/zinc/13/67/26/626136726.db2.gz HDESYEHYFBAOKJ-GFCCVEGCSA-N 2 0 265.405 1.871 10 0 CDAERP CC[C@H]1CCC[N@@H+]1C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903903946 626140218 /nfs/dbraw/zinc/14/02/18/626140218.db2.gz NJPMGBINKRFLID-ZFWWWQNUSA-N 2 0 264.417 1.720 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CC[C@@H](C3CC3)C2)cnn1C ZINC000903911090 626144070 /nfs/dbraw/zinc/14/40/70/626144070.db2.gz WWDSEUBUUQLDOI-DZGCQCFKSA-N 2 0 276.428 1.578 10 0 CDAERP COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903912505 626144669 /nfs/dbraw/zinc/14/46/69/626144669.db2.gz GBMLJJFEYZUTKX-SFSMXDMGSA-N 2 0 292.423 1.791 10 0 CDAERP [NH3+][C@@H](CNc1ccc([C@@H]2C[NH2+]CCO2)cc1)CC(F)F ZINC000903933808 626152681 /nfs/dbraw/zinc/15/26/81/626152681.db2.gz VXFVPDSZVSZCLZ-YPMHNXCESA-N 2 0 285.338 1.742 10 0 CDAERP COC(=O)C(C)(C)CCN[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903969599 626167347 /nfs/dbraw/zinc/16/73/47/626167347.db2.gz HOZSRYVSFYMYEK-ZDUSSCGKSA-N 2 0 298.427 1.324 10 0 CDAERP CNC(=O)c1ccc(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000903973853 626168572 /nfs/dbraw/zinc/16/85/72/626168572.db2.gz JFSMEURCCZRLKU-IUODEOHRSA-N 2 0 275.396 1.381 10 0 CDAERP [NH2+]=C(NCC[NH+]1CCCC1)NC[C@@H]1CCCS1 ZINC000905041591 626380737 /nfs/dbraw/zinc/38/07/37/626380737.db2.gz KXKFNWBGIUNCHC-NSHDSACASA-N 2 0 256.419 1.092 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000907520368 627712925 /nfs/dbraw/zinc/71/29/25/627712925.db2.gz ZKLGWZHHKDKMOI-GBJTYRQASA-N 2 0 279.428 1.602 10 0 CDAERP C[N@H+](CC(=O)N1CC[C@@H]([NH+]2CCC2)C1)CC(C)(C)C ZINC000912903763 630296975 /nfs/dbraw/zinc/29/69/75/630296975.db2.gz SHUYKBLPEOGDMB-CYBMUJFWSA-N 2 0 267.417 1.271 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2C[C@]3(C)C[NH+](C)C[C@]3(C)C2)CC[N@@H+]1C ZINC000913279961 630423056 /nfs/dbraw/zinc/42/30/56/630423056.db2.gz YNSLCQJWKMHCKF-NXNVCVFFSA-N 2 0 293.455 1.517 10 0 CDAERP CC[NH+](CC)CC(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000913282533 630433090 /nfs/dbraw/zinc/43/30/90/630433090.db2.gz HXRBJRSIHCAECD-GJZGRUSLSA-N 2 0 267.417 1.128 10 0 CDAERP CC(C)[NH+](CCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC000913858834 630842018 /nfs/dbraw/zinc/84/20/18/630842018.db2.gz CMZWPGJEKJEQOU-KGLIPLIRSA-N 2 0 284.448 1.497 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)NCC[NH+]2CCC[C@@H](C)C2)CC[N@@H+]1C ZINC000914076041 631011218 /nfs/dbraw/zinc/01/12/18/631011218.db2.gz OHWAZXYZYVGQMJ-MCIONIFRSA-N 2 0 282.432 1.110 10 0 CDAERP C[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C)C[NH+]1CCCCC1 ZINC000914278115 631303158 /nfs/dbraw/zinc/30/31/58/631303158.db2.gz RPEJWAKFWSBXJQ-KFWWJZLASA-N 2 0 296.459 1.500 10 0 CDAERP C[C@H]1[C@H](NC(=O)N(C)CCC[NH+]2CCCC2)CC[N@@H+]1C ZINC000925337562 633015312 /nfs/dbraw/zinc/01/53/12/633015312.db2.gz ICXBCAJQFKIPTJ-UONOGXRCSA-N 2 0 282.432 1.206 10 0 CDAERP C[NH+](C)C1(C(=O)NC2CCC([NH2+]CCCF)CC2)CCC1 ZINC001266909171 1158980445 /nfs/dbraw/zinc/98/04/45/1158980445.db2.gz GRIQTCMGZQJFHW-UHFFFAOYSA-N 2 0 299.434 1.847 10 0 CDAERP CC(C)C[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001480903714 1159000977 /nfs/dbraw/zinc/00/09/77/1159000977.db2.gz WAHNOXGCYUNEED-KBPBESRZSA-N 2 0 269.433 1.421 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCCF)C2)C1 ZINC001690353196 1175446104 /nfs/dbraw/zinc/44/61/04/1175446104.db2.gz CSLOWGSKHHJQRT-KFWWJZLASA-N 2 0 299.434 1.705 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H]2C[NH2+]CCC2CC2)C1 ZINC001270292873 1160100794 /nfs/dbraw/zinc/10/07/94/1160100794.db2.gz BERSYIPUPWHOFR-HZPDHXFCSA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)C[C@H](C[NH2+]CCF)NC(=O)C12CC[NH+](CC1)C2 ZINC001482396475 1160201515 /nfs/dbraw/zinc/20/15/15/1160201515.db2.gz LZQJHSDNWGAFKW-CYBMUJFWSA-N 2 0 285.407 1.172 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cnc(C)o1 ZINC001409459845 1160831137 /nfs/dbraw/zinc/83/11/37/1160831137.db2.gz YPADLAKOSUBYAE-RYUDHWBXSA-N 2 0 296.415 1.308 10 0 CDAERP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@H](O)C2(C)C)cc1 ZINC000812778979 1163706031 /nfs/dbraw/zinc/70/60/31/1163706031.db2.gz SCKKGVBSHMJAFJ-INIZCTEOSA-N 2 0 292.423 1.972 10 0 CDAERP CCN1CC[NH+](C[C@@H](C)CNC(=[NH2+])NCCC2CC2)CC1 ZINC000864454890 1164545451 /nfs/dbraw/zinc/54/54/51/1164545451.db2.gz XZWGNAJZJRCXET-AWEZNQCLSA-N 2 0 295.475 1.174 10 0 CDAERP CC[C@@H]1CCN(C(=[NH2+])NC[C@@H](C)C[NH+]2CCCC2)C1 ZINC000864454172 1164545691 /nfs/dbraw/zinc/54/56/91/1164545691.db2.gz IINDEMALQHEPSX-ZIAGYGMSSA-N 2 0 266.433 1.975 10 0 CDAERP CC1(C)[C@@H]([NH3+])c2ccccc2N1C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000867987192 1164894448 /nfs/dbraw/zinc/89/44/48/1164894448.db2.gz ISEUVBKUGVHYAH-BBRMVZONSA-N 2 0 273.380 1.811 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)N1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000868369874 1164938472 /nfs/dbraw/zinc/93/84/72/1164938472.db2.gz IUGYWMHGSUYOFO-CABCVRRESA-N 2 0 296.459 1.454 10 0 CDAERP O=C(CCC12CC(C1)C[NH2+]2)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000870887193 1165227902 /nfs/dbraw/zinc/22/79/02/1165227902.db2.gz REJVMFOXYJHODA-UHFFFAOYSA-N 2 0 297.362 1.738 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000870992101 1165249413 /nfs/dbraw/zinc/24/94/13/1165249413.db2.gz IDMQPQSQCPZWAL-XJKSGUPXSA-N 2 0 281.444 1.742 10 0 CDAERP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+](C)CCCCCC[NH3+] ZINC000872155456 1165387469 /nfs/dbraw/zinc/38/74/69/1165387469.db2.gz SNYFFCAPKMIWQA-KGLIPLIRSA-N 2 0 285.432 1.121 10 0 CDAERP O[C@@H](C[NH2+]C[C@H]1CCC12CCOCC2)C[NH+]1CCCC1 ZINC000872228655 1165399285 /nfs/dbraw/zinc/39/92/85/1165399285.db2.gz IRHDVZBCSLYPBQ-CABCVRRESA-N 2 0 282.428 1.240 10 0 CDAERP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000872289009 1165411153 /nfs/dbraw/zinc/41/11/53/1165411153.db2.gz WDVZDLUSTZOUHG-LZWOXQAQSA-N 2 0 279.428 1.496 10 0 CDAERP C[C@H]1C[C@@H](N(C)C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])CC[N@@H+]1C ZINC000872285757 1165411824 /nfs/dbraw/zinc/41/18/24/1165411824.db2.gz GEKTWEDUZFKWJV-XQLPTFJDSA-N 2 0 281.444 1.835 10 0 CDAERP [NH3+][C@H](CCNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)Cc1ccccc1 ZINC000872309320 1165414582 /nfs/dbraw/zinc/41/45/82/1165414582.db2.gz RZQXNAGCZUNZHV-AIANPOQGSA-N 2 0 287.407 1.190 10 0 CDAERP COCCC[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+](C(C)C)C1 ZINC001630301162 1166198568 /nfs/dbraw/zinc/19/85/68/1166198568.db2.gz ATENIPXNIFIHCA-OAHLLOKOSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@H](CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)[NH+](C)C ZINC001632580836 1166359037 /nfs/dbraw/zinc/35/90/37/1166359037.db2.gz IOFQBGMKFBDWIG-RDBSUJKOSA-N 2 0 269.433 1.563 10 0 CDAERP CC[NH+](CC)C1CCN(c2cc(C)[nH+]c(N)n2)CC1 ZINC000052446006 1166787793 /nfs/dbraw/zinc/78/77/93/1166787793.db2.gz YLLSVVLYCVEPQD-UHFFFAOYSA-N 2 0 263.389 1.678 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000055089815 1166995608 /nfs/dbraw/zinc/99/56/08/1166995608.db2.gz OLVPVPOWTBUBEM-RDBSUJKOSA-N 2 0 269.433 1.596 10 0 CDAERP CCC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC001645909499 1167563505 /nfs/dbraw/zinc/56/35/05/1167563505.db2.gz NVLSKPAKPMJICV-QLFBSQMISA-N 2 0 297.443 1.073 10 0 CDAERP C[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1(C)CC1 ZINC001646955334 1168287259 /nfs/dbraw/zinc/28/72/59/1168287259.db2.gz FBNVOBXLSUENLA-ZDUSSCGKSA-N 2 0 284.448 1.310 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]([NH2+]CC=C(C)C)C1 ZINC001566792601 1168424444 /nfs/dbraw/zinc/42/44/44/1168424444.db2.gz QZJLGUAEOYTDAP-RBSFLKMASA-N 2 0 299.434 1.869 10 0 CDAERP CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001568056540 1169129939 /nfs/dbraw/zinc/12/99/39/1169129939.db2.gz FVIUAGMGWXGUDR-QLFBSQMISA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC/C=C\C[NH2+]CC1CCOCC1 ZINC001568969315 1169568930 /nfs/dbraw/zinc/56/89/30/1169568930.db2.gz JVTGXSQIYYIIBI-PLNGDYQASA-N 2 0 297.443 1.015 10 0 CDAERP Cc1c(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)ccc2c[nH+]cn21 ZINC001650039432 1169638741 /nfs/dbraw/zinc/63/87/41/1169638741.db2.gz MIGCNYWZMQRHHX-RISCZKNCSA-N 2 0 272.352 1.465 10 0 CDAERP Cc1cc(C)c(C(=O)N[C@H](C[NH2+]CCO)C2CC2)c(C)n1 ZINC001569313293 1169760825 /nfs/dbraw/zinc/76/08/25/1169760825.db2.gz UINSUJFHEWVHLT-CQSZACIVSA-N 2 0 291.395 1.097 10 0 CDAERP CCCC[NH2+]C/C=C/CNC(=O)C[NH+]1CCC(C)CC1 ZINC001669106455 1173505556 /nfs/dbraw/zinc/50/55/56/1173505556.db2.gz GMOQSZVMODEIEP-AATRIKPKSA-N 2 0 281.444 1.780 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]C(C)C ZINC001669207323 1173517676 /nfs/dbraw/zinc/51/76/76/1173517676.db2.gz LSWBKPLHWFPGNS-AFNCTOJWSA-N 2 0 267.417 1.531 10 0 CDAERP CC/C=C\CC[NH2+]C[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001669293913 1173532779 /nfs/dbraw/zinc/53/27/79/1173532779.db2.gz UKRSPSPLFMHQOC-PJFORWJISA-N 2 0 293.455 1.779 10 0 CDAERP C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)[NH2+]CC1CC1 ZINC001674722675 1173997736 /nfs/dbraw/zinc/99/77/36/1173997736.db2.gz QDZNNWGIFLJQEN-NWDGAFQWSA-N 2 0 267.417 1.221 10 0 CDAERP CC/C=C\CC[N@H+](C)[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001675030296 1174064510 /nfs/dbraw/zinc/06/45/10/1174064510.db2.gz GVHRIQRKLJOULV-YVACAVLKSA-N 2 0 293.455 1.875 10 0 CDAERP C[C@@H](CCC[NH2+]CCO)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001675986271 1174171110 /nfs/dbraw/zinc/17/11/10/1174171110.db2.gz PMSHIMGOCPGFQH-GJZGRUSLSA-N 2 0 299.459 1.118 10 0 CDAERP C[C@@H](CCC[NH2+]C/C=C\Cl)NC(=O)C12CC[NH+](CC1)C2 ZINC001676005680 1174172733 /nfs/dbraw/zinc/17/27/33/1174172733.db2.gz MDCFJXPFLVGPBP-QTEJZOKPSA-N 2 0 299.846 1.709 10 0 CDAERP CC[N@H+](CCCNC(=O)C[NH+](C)C(C)C)C1CC1 ZINC001690014832 1175345362 /nfs/dbraw/zinc/34/53/62/1175345362.db2.gz RFNQVETYAVIQAM-UHFFFAOYSA-N 2 0 255.406 1.317 10 0 CDAERP C[NH+]1CCC(C(=O)N2CCCC[C@H]2C[NH2+]CCCF)CC1 ZINC001690477505 1175479504 /nfs/dbraw/zinc/47/95/04/1175479504.db2.gz QFABNANMZWUFFZ-HNNXBMFYSA-N 2 0 299.434 1.659 10 0 CDAERP Cc1nc[nH]c1CC(=O)N1CCCC[C@@H]1C[NH2+]CCCF ZINC001690485858 1175479642 /nfs/dbraw/zinc/47/96/42/1175479642.db2.gz KJQMPZVYPSORGF-CYBMUJFWSA-N 2 0 296.390 1.591 10 0 CDAERP CCC[NH2+][C@@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001690586580 1175513505 /nfs/dbraw/zinc/51/35/05/1175513505.db2.gz GBAKNLRVZDVCNY-STQMWFEESA-N 2 0 255.406 1.365 10 0 CDAERP CCN(CC[NH2+]CC[C@@H](C)F)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001699181647 1176130778 /nfs/dbraw/zinc/13/07/78/1176130778.db2.gz LHYFJXNNMWFCAO-UKRRQHHQSA-N 2 0 299.434 1.514 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC ZINC001699263566 1176185448 /nfs/dbraw/zinc/18/54/48/1176185448.db2.gz LOBUGPOKGKTMOF-GFUIURDCSA-N 2 0 253.390 1.143 10 0 CDAERP C[C@@H](C[NH2+]CCC1CCCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001699431466 1176393113 /nfs/dbraw/zinc/39/31/13/1176393113.db2.gz KGCUKKUCBJVNAF-DZGCQCFKSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)=CC[NH2+]CCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001699534091 1176466342 /nfs/dbraw/zinc/46/63/42/1176466342.db2.gz SNMRDXCNJIMFEM-HNNXBMFYSA-N 2 0 281.444 1.733 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)C1C[NH+](CC2CCC2)C1 ZINC001699723083 1176588188 /nfs/dbraw/zinc/58/81/88/1176588188.db2.gz PMINIUNGTZNLPY-UHFFFAOYSA-N 2 0 267.417 1.271 10 0 CDAERP Cc1nc[nH]c1CC(=O)N(C)CC(C)(C)C[NH2+]CCCF ZINC001700447448 1176931997 /nfs/dbraw/zinc/93/19/97/1176931997.db2.gz CHGQPXFOBWVOPG-UHFFFAOYSA-N 2 0 298.406 1.694 10 0 CDAERP CCCC[NH2+][C@H](C)[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CCO1 ZINC001700610523 1177035213 /nfs/dbraw/zinc/03/52/13/1177035213.db2.gz MHHMSYRJTOAUFP-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)C[NH2+]C[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001700639815 1177049490 /nfs/dbraw/zinc/04/94/90/1177049490.db2.gz MHATUJPZCZEYRN-HDJSIYSDSA-N 2 0 269.433 1.469 10 0 CDAERP CCCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001700728012 1177095986 /nfs/dbraw/zinc/09/59/86/1177095986.db2.gz JKVBWXLFRPGELU-CABCVRRESA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)C[N@H+]1CC=C(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001701055915 1177258813 /nfs/dbraw/zinc/25/88/13/1177258813.db2.gz OGKUMOTWCLYQFV-UHFFFAOYSA-N 2 0 293.455 1.733 10 0 CDAERP C[N@H+](CCCNC(=O)C[NH+]1CCCC1)Cc1cccnc1 ZINC001707421291 1178035079 /nfs/dbraw/zinc/03/50/79/1178035079.db2.gz MHMZJSYPTVTJEG-UHFFFAOYSA-N 2 0 290.411 1.116 10 0 CDAERP Cc1nc(C)c(C[N@@H+](C)CCCNC(=O)CC[NH+](C)C)o1 ZINC001712969386 1178275492 /nfs/dbraw/zinc/27/54/92/1178275492.db2.gz ZCDPQUFNRQLBBL-UHFFFAOYSA-N 2 0 296.415 1.181 10 0 CDAERP COCCCCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001713151314 1178397677 /nfs/dbraw/zinc/39/76/77/1178397677.db2.gz KWRPWJPIJHLYAZ-HNNXBMFYSA-N 2 0 297.443 1.089 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H](C[NH2+]CC2CC2)C1 ZINC001713238591 1178439615 /nfs/dbraw/zinc/43/96/15/1178439615.db2.gz ITFDQYYDJIXTAT-AWEZNQCLSA-N 2 0 267.417 1.176 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001713239193 1178448650 /nfs/dbraw/zinc/44/86/50/1178448650.db2.gz SSRXTBWWYARQJT-AWEZNQCLSA-N 2 0 281.444 1.566 10 0 CDAERP CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001713351993 1178515948 /nfs/dbraw/zinc/51/59/48/1178515948.db2.gz OYPOSPYPPMAGEV-CVEARBPZSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[N@H+](C)CC1CC1 ZINC001713476826 1178591987 /nfs/dbraw/zinc/59/19/87/1178591987.db2.gz RAPGHWGLLFEZAR-CHWSQXEVSA-N 2 0 267.417 1.317 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001713540886 1178635285 /nfs/dbraw/zinc/63/52/85/1178635285.db2.gz DDILCVYJRFOXLB-CWDCEQMOSA-N 2 0 293.455 1.877 10 0 CDAERP CC/C=C/CC[NH2+]CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001713592487 1178673811 /nfs/dbraw/zinc/67/38/11/1178673811.db2.gz WUDVYQXWKNCWDF-APHBUQMISA-N 2 0 293.455 1.733 10 0 CDAERP CN(CC[NH2+]Cc1cncs1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001713605312 1178678037 /nfs/dbraw/zinc/67/80/37/1178678037.db2.gz ILAHBCPFDIOEHV-CYBMUJFWSA-N 2 0 296.440 1.175 10 0 CDAERP CCC[NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001713621281 1178684630 /nfs/dbraw/zinc/68/46/30/1178684630.db2.gz HNROOSMNPSJGPR-UHFFFAOYSA-N 2 0 255.406 1.319 10 0 CDAERP CC(C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+](C)C ZINC001713912777 1178838703 /nfs/dbraw/zinc/83/87/03/1178838703.db2.gz KNUIXTAYGZHLGS-GASCZTMLSA-N 2 0 281.444 1.802 10 0 CDAERP CCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001713939636 1178867194 /nfs/dbraw/zinc/86/71/94/1178867194.db2.gz LRRXEGUYPYIRCS-JYJNAYRXSA-N 2 0 293.455 1.804 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001714003943 1178923030 /nfs/dbraw/zinc/92/30/30/1178923030.db2.gz DIVIUPJPSCAUGP-RWMBFGLXSA-N 2 0 255.406 1.221 10 0 CDAERP CC(C)CCC[NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001714016468 1178928308 /nfs/dbraw/zinc/92/83/08/1178928308.db2.gz OWSMOTGEFWBCIU-GASCZTMLSA-N 2 0 293.455 1.755 10 0 CDAERP CC[NH2+]CCC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001714263747 1179054430 /nfs/dbraw/zinc/05/44/30/1179054430.db2.gz CVOZNZYAAJJRTD-UKRRQHHQSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]CCCF)CC[N@@H+]1C ZINC001714705109 1179347065 /nfs/dbraw/zinc/34/70/65/1179347065.db2.gz BPVQPJXTKPBGBM-QWHCGFSZSA-N 2 0 273.396 1.124 10 0 CDAERP C[C@@H](F)CC[NH2+]CCN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001714757140 1179379176 /nfs/dbraw/zinc/37/91/76/1179379176.db2.gz QZUIERSQPQYETE-CYBMUJFWSA-N 2 0 289.439 1.760 10 0 CDAERP CCCC[NH2+]C[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001714822642 1179410917 /nfs/dbraw/zinc/41/09/17/1179410917.db2.gz OBWLQYRXKCTTHK-ZDUSSCGKSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@H](C[NH2+]CCC1CC1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001714821378 1179410936 /nfs/dbraw/zinc/41/09/36/1179410936.db2.gz HVVWJIOVYDCHBL-HIFRSBDPSA-N 2 0 281.444 1.565 10 0 CDAERP CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCCC1 ZINC001714993106 1179495497 /nfs/dbraw/zinc/49/54/97/1179495497.db2.gz XREYHPZYMYTOBV-HOTGVXAUSA-N 2 0 293.455 1.948 10 0 CDAERP CC[NH2+][C@@H](CC)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001715075864 1179541686 /nfs/dbraw/zinc/54/16/86/1179541686.db2.gz PPQOGBIWXFATJA-KBPBESRZSA-N 2 0 269.433 1.755 10 0 CDAERP CC(C)OCC[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001715834662 1179857989 /nfs/dbraw/zinc/85/79/89/1179857989.db2.gz MUIFLMDNWZKURI-LLYBFZRZSA-N 2 0 297.443 1.158 10 0 CDAERP CCOCC[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001715932266 1179925616 /nfs/dbraw/zinc/92/56/16/1179925616.db2.gz GKUALPMMRFQFMX-GJZGRUSLSA-N 2 0 299.459 1.143 10 0 CDAERP Cc1nc(CC[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C)cs1 ZINC001715947038 1179935106 /nfs/dbraw/zinc/93/51/06/1179935106.db2.gz LYNHHWKTTKBXKX-LLVKDONJSA-N 2 0 298.456 1.040 10 0 CDAERP CC[NH2+]CCN(CC)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001716223794 1180110700 /nfs/dbraw/zinc/11/07/00/1180110700.db2.gz DSWWDURDVFIZQF-UONOGXRCSA-N 2 0 267.417 1.461 10 0 CDAERP CCCC[NH2+]CCN(CC)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001716253959 1180121990 /nfs/dbraw/zinc/12/19/90/1180121990.db2.gz NOHCJZXWRINHDG-ZDUSSCGKSA-N 2 0 255.406 1.176 10 0 CDAERP CC[C@H](C)C[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001716375270 1180172732 /nfs/dbraw/zinc/17/27/32/1180172732.db2.gz DYYNQYYIWDQZSS-LAWSMPECSA-N 2 0 267.417 1.246 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001716480210 1180242830 /nfs/dbraw/zinc/24/28/30/1180242830.db2.gz PAADGOBTESZPDO-RRFJBIMHSA-N 2 0 281.444 1.729 10 0 CDAERP CN(CCC[NH2+]Cc1cscn1)C(=O)C[NH+]1CCCC1 ZINC001716585251 1180294668 /nfs/dbraw/zinc/29/46/68/1180294668.db2.gz HIKORZLQCDNWNW-UHFFFAOYSA-N 2 0 296.440 1.177 10 0 CDAERP O=C(N[C@H](C[NH2+]CCC1CC1)C1CC1)C12CC[NH+](CC1)C2 ZINC001716627734 1180314286 /nfs/dbraw/zinc/31/42/86/1180314286.db2.gz UIVSDVKPQFDCGT-OAHLLOKOSA-N 2 0 291.439 1.367 10 0 CDAERP CCCCCC[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001716698528 1180376016 /nfs/dbraw/zinc/37/60/16/1180376016.db2.gz HZQPSIDKGLWNDE-UHFFFAOYSA-N 2 0 293.455 1.901 10 0 CDAERP CN(C(=O)CC[NH+](C)C)C1C[NH+](CC2CCCC2)C1 ZINC001716748020 1180397818 /nfs/dbraw/zinc/39/78/18/1180397818.db2.gz VCZLVGASBHSJCA-UHFFFAOYSA-N 2 0 267.417 1.271 10 0 CDAERP C[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]C/C=C\Cl)CC1 ZINC001716783144 1180413246 /nfs/dbraw/zinc/41/32/46/1180413246.db2.gz CCHUURKZYVKPEZ-UMSKNGNOSA-N 2 0 299.846 1.661 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001717413393 1180659772 /nfs/dbraw/zinc/65/97/72/1180659772.db2.gz RYYDZTBOHHFJDW-UONOGXRCSA-N 2 0 281.444 1.920 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CCOC2CCC2)CN1C(=O)CC[NH+](C)C ZINC001717822408 1180879821 /nfs/dbraw/zinc/87/98/21/1180879821.db2.gz RLFWLAJSAHZTMR-ZIAGYGMSSA-N 2 0 297.443 1.086 10 0 CDAERP CC(C)=CC[NH2+]C1CC(N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001717996325 1180963167 /nfs/dbraw/zinc/96/31/67/1180963167.db2.gz ZTJBIEIQCFPIIP-UHFFFAOYSA-N 2 0 293.455 1.873 10 0 CDAERP C[C@@H](F)CC[N@H+]1CC=C(CNC(=O)CC[NH+](C)C)CC1 ZINC001718027768 1180975326 /nfs/dbraw/zinc/97/53/26/1180975326.db2.gz VVHXSABCDXLYKR-CYBMUJFWSA-N 2 0 285.407 1.435 10 0 CDAERP C[NH+](C)CCCCC(=O)N[C@@]1(C)CC[N@H+](CC2CC2)C1 ZINC001724183299 1181650502 /nfs/dbraw/zinc/65/05/02/1181650502.db2.gz HVAROWIKNRBCFX-INIZCTEOSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)C[NH2+]CC1CC(NC(=O)CC[NH+](C)C)C1 ZINC001725069320 1181844044 /nfs/dbraw/zinc/84/40/44/1181844044.db2.gz DTSDTOSWXMSLKZ-UHFFFAOYSA-N 2 0 255.406 1.079 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CCC1CC1 ZINC001725129503 1181876531 /nfs/dbraw/zinc/87/65/31/1181876531.db2.gz PMXSYFGRFBGYKN-CHWSQXEVSA-N 2 0 269.433 1.610 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1C[C@H](C[NH2+]CCF)C1 ZINC001725373170 1181978686 /nfs/dbraw/zinc/97/86/86/1181978686.db2.gz SQYVDKQAGAGQOP-AAVRWANBSA-N 2 0 285.407 1.313 10 0 CDAERP C[C@@H](CCC[NH2+]CCF)NC(=O)C1([NH+](C)C)CCC1 ZINC001725392921 1181986121 /nfs/dbraw/zinc/98/61/21/1181986121.db2.gz YAAIHGDQEPEMRZ-LBPRGKRZSA-N 2 0 273.396 1.315 10 0 CDAERP CCCCC[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001731766475 1182558407 /nfs/dbraw/zinc/55/84/07/1182558407.db2.gz JTZKGJSWBSBNIM-ZDUSSCGKSA-N 2 0 255.406 1.319 10 0 CDAERP CN(CC[NH2+]C/C=C\Cl)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001731910419 1182675504 /nfs/dbraw/zinc/67/55/04/1182675504.db2.gz HWJKHWVOYGNEJL-JLIVMUMWSA-N 2 0 285.819 1.129 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@](C)(C[NH2+]CCF)C1CC1 ZINC001732247288 1182881617 /nfs/dbraw/zinc/88/16/17/1182881617.db2.gz AYUDGWSHJXDBSX-ZFWWWQNUSA-N 2 0 285.407 1.315 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@@H](CC[NH2+]CC2CC2)C1)[NH+](C)C ZINC001732271118 1182890678 /nfs/dbraw/zinc/89/06/78/1182890678.db2.gz DYGJGFBTBIHFNT-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP CC[NH2+]C[C@](C)(NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001732279278 1182892328 /nfs/dbraw/zinc/89/23/28/1182892328.db2.gz HHOLWRBPAOIXOF-KYOSRNDESA-N 2 0 267.417 1.221 10 0 CDAERP C[C@@H]1[C@H](C(=O)N[C@](C)(C[NH2+]CCCF)C2CC2)CC[N@@H+]1C ZINC001732289703 1182895764 /nfs/dbraw/zinc/89/57/64/1182895764.db2.gz XMVXYOZITFYZTE-XNRPHZJLSA-N 2 0 299.434 1.561 10 0 CDAERP CC(C)OCC[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001732437783 1182965766 /nfs/dbraw/zinc/96/57/66/1182965766.db2.gz OBPVPXZFHRTLAW-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+](C)C(C)C ZINC001732457379 1182975371 /nfs/dbraw/zinc/97/53/71/1182975371.db2.gz GQNRFAYMHOYMBG-AWEZNQCLSA-N 2 0 269.433 1.729 10 0 CDAERP CC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C(C)C ZINC001732561228 1183010463 /nfs/dbraw/zinc/01/04/63/1183010463.db2.gz VQAVSBHMKILLOT-CHWSQXEVSA-N 2 0 255.406 1.221 10 0 CDAERP O=C(CC[NH+]1CCCCC1)N[C@H]1CCC[C@@H]1C[NH2+]CCF ZINC001732624821 1183052292 /nfs/dbraw/zinc/05/22/92/1183052292.db2.gz GMXCFVFVVYFQHG-CABCVRRESA-N 2 0 299.434 1.706 10 0 CDAERP CC/C=C/CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001732754419 1183109719 /nfs/dbraw/zinc/10/97/19/1183109719.db2.gz QVRKKLJDTLBUIL-WHJWBVKISA-N 2 0 281.444 1.779 10 0 CDAERP CCC[NH2+]CCN(CC)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001732778226 1183122521 /nfs/dbraw/zinc/12/25/21/1183122521.db2.gz BGCCPROMUDLSOG-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP CC[NH2+]C/C=C\CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001732901941 1183178353 /nfs/dbraw/zinc/17/83/53/1183178353.db2.gz YDCQOEPNNOTZIP-WAYWQWQTSA-N 2 0 289.423 1.686 10 0 CDAERP O=C(C[NH+]1CCCC1)NC/C=C\C[NH2+]CCC1CC1 ZINC001732935270 1183189549 /nfs/dbraw/zinc/18/95/49/1183189549.db2.gz JZROZOLSQJGBTB-UPHRSURJSA-N 2 0 265.401 1.144 10 0 CDAERP CC/C=C/CC[NH2+]C[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001732977772 1183215091 /nfs/dbraw/zinc/21/50/91/1183215091.db2.gz IAGHHEQXOBGTLS-XEVLESSRSA-N 2 0 281.444 1.779 10 0 CDAERP CCC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001733142869 1183306357 /nfs/dbraw/zinc/30/63/57/1183306357.db2.gz JGRONOFGFBUKGM-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001733352766 1183406865 /nfs/dbraw/zinc/40/68/65/1183406865.db2.gz RRAMNSWLEGUTIA-KGLIPLIRSA-N 2 0 267.417 1.319 10 0 CDAERP CC[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CCC1 ZINC001733721417 1183508184 /nfs/dbraw/zinc/50/81/84/1183508184.db2.gz XALCHHCLCZAAGY-UHFFFAOYSA-N 2 0 267.417 1.509 10 0 CDAERP CC(C)=CC[NH2+]CC1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001733956598 1183584036 /nfs/dbraw/zinc/58/40/36/1183584036.db2.gz JPRXSYHMGXXOBZ-UHFFFAOYSA-N 2 0 291.439 1.533 10 0 CDAERP CCCC[C@H](C[NH2+]C(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001734098228 1183657757 /nfs/dbraw/zinc/65/77/57/1183657757.db2.gz WDHRUTYQAVZYBK-ZIAGYGMSSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C[NH2+]CCF)C1CC1 ZINC001734300230 1183720606 /nfs/dbraw/zinc/72/06/06/1183720606.db2.gz IHIAQDWLZJSTEU-HUUCEWRRSA-N 2 0 299.434 1.655 10 0 CDAERP CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001734331630 1183735471 /nfs/dbraw/zinc/73/54/71/1183735471.db2.gz OUPJCUPQODYADW-ZIAGYGMSSA-N 2 0 269.433 1.563 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001750933033 1184784490 /nfs/dbraw/zinc/78/44/90/1184784490.db2.gz XTKQJLODBBEIBK-AWEZNQCLSA-N 2 0 269.433 1.661 10 0 CDAERP CC[NH+](CC)C1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001771932184 1186963753 /nfs/dbraw/zinc/96/37/53/1186963753.db2.gz OISWJBVIERHNMB-HIFRSBDPSA-N 2 0 296.459 1.595 10 0 CDAERP CC[C@@H]1CCN(C(=[NH2+])NC[C@H](C)N2CC[NH+](CC)CC2)C1 ZINC000864451528 1164543663 /nfs/dbraw/zinc/54/36/63/1164543663.db2.gz CJPYZLQPYFGSKC-LSDHHAIUSA-N 2 0 295.475 1.269 10 0 CDAERP CC[C@@H]1CCN(C(=[NH2+])NC[C@H](C)[NH+]2CCCC2)C1 ZINC000864453874 1164545891 /nfs/dbraw/zinc/54/58/91/1164545891.db2.gz QMUYTGRZEZDXSS-QWHCGFSZSA-N 2 0 252.406 1.727 10 0 CDAERP C[N@@H+]1CC[C@H](N[C@H]2CC[NH+](CC(C)(C)O)C2)CC1(C)C ZINC000865660443 1164677324 /nfs/dbraw/zinc/67/73/24/1164677324.db2.gz MMRRIOQGXGEHRF-KBPBESRZSA-N 2 0 283.460 1.294 10 0 CDAERP CN(C)c1cc[nH+]cc1CNCc1ccnc(F)c1 ZINC000865722640 1164686122 /nfs/dbraw/zinc/68/61/22/1164686122.db2.gz MVSRNVRVZREOOH-UHFFFAOYSA-N 2 0 260.316 1.972 10 0 CDAERP CC[N@@H+]1CC[C@@H](N[C@H]2CC[NH+](CC(C)(C)O)C2)[C@H](C)C1 ZINC000866411485 1164779817 /nfs/dbraw/zinc/77/98/17/1164779817.db2.gz NHMZKJWMXFDWCC-QLFBSQMISA-N 2 0 283.460 1.152 10 0 CDAERP CC[C@H](C[NH+](C)C)OC(=O)c1ccc2c[nH+]cn2c1 ZINC000870552268 1165188393 /nfs/dbraw/zinc/18/83/93/1165188393.db2.gz FHWAMIIBCKRVKA-CYBMUJFWSA-N 2 0 261.325 1.831 10 0 CDAERP CCCC[NH2+]CCN(CC)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001568743959 1167542123 /nfs/dbraw/zinc/54/21/23/1167542123.db2.gz VYOMHUNQSBMGKY-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP CC[C@@H](C(=O)N1C[C@@H]([NH2+]CCCOC)C(C)(C)C1)[NH+](C)C ZINC001571563723 1167599700 /nfs/dbraw/zinc/59/97/00/1167599700.db2.gz PEPQGMCIXVJXEL-UONOGXRCSA-N 2 0 299.459 1.190 10 0 CDAERP CC[NH+](CC)CC[C@H](C)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC001646947806 1168279346 /nfs/dbraw/zinc/27/93/46/1168279346.db2.gz ANVQXYRJERNICR-IHRRRGAJSA-N 2 0 284.448 1.499 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001483677629 912603437 /nfs/dbraw/zinc/60/34/37/912603437.db2.gz WSQRSWHDXGAVPH-OLZOCXBDSA-N 2 0 285.407 1.267 10 0 CDAERP CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001272299917 912728398 /nfs/dbraw/zinc/72/83/98/912728398.db2.gz DLCBMMDYTUJFBX-LSDHHAIUSA-N 2 0 281.444 1.613 10 0 CDAERP CCC/C=C/CC[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001567274762 1168650728 /nfs/dbraw/zinc/65/07/28/1168650728.db2.gz IZBLFFFUVXIRBU-LFAOLKIESA-N 2 0 281.444 1.875 10 0 CDAERP CCCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001266248602 893910526 /nfs/dbraw/zinc/91/05/26/893910526.db2.gz PERDGMYBDUPXOQ-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP C[C@@H]([NH2+]Cc1cnc2n1CCOC2)C1CC[NH+](C)CC1 ZINC000722838764 895117497 /nfs/dbraw/zinc/11/74/97/895117497.db2.gz YYYIIDCDLFLWOB-GFCCVEGCSA-N 2 0 278.400 1.233 10 0 CDAERP CCc1onc(C)c1C[NH2+]CCN(C)C(=O)CC[NH+](C)C ZINC001266827487 896139810 /nfs/dbraw/zinc/13/98/10/896139810.db2.gz ZLYPPLOBFSNPJR-UHFFFAOYSA-N 2 0 296.415 1.045 10 0 CDAERP CCCN(CCC)C(=O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723900717 896262158 /nfs/dbraw/zinc/26/21/58/896262158.db2.gz LXINXECBXFKZEP-ZIAGYGMSSA-N 2 0 269.433 1.552 10 0 CDAERP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CCC1 ZINC001266985076 896497280 /nfs/dbraw/zinc/49/72/80/896497280.db2.gz GNFUTEREQWDAND-JSGCOSHPSA-N 2 0 267.417 1.223 10 0 CDAERP CCC[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001267118015 896842154 /nfs/dbraw/zinc/84/21/54/896842154.db2.gz ZDMHWAQZRURPJQ-CQSZACIVSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@@H]1CCC[N@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)[C@@H]1CCC[NH3+] ZINC000724602477 897000327 /nfs/dbraw/zinc/00/03/27/897000327.db2.gz ZMKMXUDXCUKZTB-IBEHDNSVSA-N 2 0 282.428 1.630 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000091545687 897186820 /nfs/dbraw/zinc/18/68/20/897186820.db2.gz HMHSSWGUGWMNCE-UONOGXRCSA-N 2 0 260.385 1.331 10 0 CDAERP C[C@H](CN[C@H]1C[C@@H]([NH3+])C12CCC2)C[NH+]1CCCC1 ZINC000405352031 897598352 /nfs/dbraw/zinc/59/83/52/897598352.db2.gz ORVPLPFPBYUKJZ-MCIONIFRSA-N 2 0 251.418 1.578 10 0 CDAERP CC/C=C\CC[N@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001480935540 897738423 /nfs/dbraw/zinc/73/84/23/897738423.db2.gz PPFSNXXSKQKBIJ-IYKSTZQJSA-N 2 0 281.444 1.733 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)Cc1ccsc1 ZINC001480951666 898117387 /nfs/dbraw/zinc/11/73/87/898117387.db2.gz JCJXJLPVSNITAP-UHFFFAOYSA-N 2 0 283.441 1.636 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCCCCF)C1 ZINC001267610206 898919727 /nfs/dbraw/zinc/91/97/27/898919727.db2.gz SHSNHMGRCAZGKT-HUUCEWRRSA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001481123173 898934417 /nfs/dbraw/zinc/93/44/17/898934417.db2.gz OQIZYUMXXQEGQY-HZPDHXFCSA-N 2 0 295.471 1.812 10 0 CDAERP CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000122290269 898951362 /nfs/dbraw/zinc/95/13/62/898951362.db2.gz QJHHYZNCVYABSE-RWMBFGLXSA-N 2 0 255.406 1.064 10 0 CDAERP CCC[NH2+]CC[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001272652196 914373619 /nfs/dbraw/zinc/37/36/19/914373619.db2.gz JXLSUZVLRLQQRR-CQSZACIVSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)C[C@@H](C[NH2+]CCF)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001268110693 901309565 /nfs/dbraw/zinc/30/95/65/901309565.db2.gz HLBOLTLZHHTHRD-KGLIPLIRSA-N 2 0 287.423 1.418 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1CC[NH2+]C[C@H](C)O ZINC001268162378 901456015 /nfs/dbraw/zinc/45/60/15/901456015.db2.gz LPWAQATUPWEEDA-LSDHHAIUSA-N 2 0 299.459 1.070 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1ncc(C)o1)[NH+](C)C ZINC001268375874 901957195 /nfs/dbraw/zinc/95/71/95/901957195.db2.gz SMZKNSRWLRNNBE-DGCLKSJQSA-N 2 0 296.415 1.308 10 0 CDAERP C[C@@H](CC[NH2+]CC1=CCCCC1)NC(=O)CC[NH+](C)C ZINC001268396062 901987480 /nfs/dbraw/zinc/98/74/80/901987480.db2.gz HLBKIBLYUJRACP-AWEZNQCLSA-N 2 0 281.444 1.923 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CCC2CC2)C1 ZINC001567777547 1168962511 /nfs/dbraw/zinc/96/25/11/1168962511.db2.gz GNNYBQBADZHWQQ-AWEZNQCLSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@H](CC[NH2+]C[C@@H]1CCCCO1)NC(=O)C[NH+]1CCCC1 ZINC001268422581 902037333 /nfs/dbraw/zinc/03/73/33/902037333.db2.gz FLMNMIMHQHFKPZ-CABCVRRESA-N 2 0 297.443 1.136 10 0 CDAERP CC[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC[C@@H](C)F ZINC001481817788 902167906 /nfs/dbraw/zinc/16/79/06/902167906.db2.gz ATECGKSHXXBMCF-CHWSQXEVSA-N 2 0 287.423 1.703 10 0 CDAERP CCOC(CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)OCC ZINC000248632522 902415699 /nfs/dbraw/zinc/41/56/99/902415699.db2.gz SQAMQYKNZZWZLR-QWHCGFSZSA-N 2 0 258.406 1.800 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CCC[C@@H]1C[NH2+]C/C=C\Cl ZINC001482066657 902598204 /nfs/dbraw/zinc/59/82/04/902598204.db2.gz CMBGPWDPEJNTGH-RYWCDNDXSA-N 2 0 285.819 1.415 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC/C=C/C[NH2+]CCC2CC2)C1 ZINC001268591280 902697006 /nfs/dbraw/zinc/69/70/06/902697006.db2.gz PXDZMTKQALIPHR-BAABZTOOSA-N 2 0 279.428 1.390 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001268649482 902893994 /nfs/dbraw/zinc/89/39/94/902893994.db2.gz MDQDRFRWAZAOAR-QWHCGFSZSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@H](C[NH2+]CCC1CC1)NC(=O)CCc1cncn1C ZINC001268671133 902934113 /nfs/dbraw/zinc/93/41/13/902934113.db2.gz STGXDIQXUXDEAE-GFCCVEGCSA-N 2 0 278.400 1.247 10 0 CDAERP CC(C)N1CCO[C@@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001482191069 902945911 /nfs/dbraw/zinc/94/59/11/902945911.db2.gz UUABXJQAKDCPLN-GJZGRUSLSA-N 2 0 297.443 1.086 10 0 CDAERP CCCCCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001268682183 902954583 /nfs/dbraw/zinc/95/45/83/902954583.db2.gz LETJUTUPIFNFMV-KBPBESRZSA-N 2 0 269.433 1.755 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001268693138 902976549 /nfs/dbraw/zinc/97/65/49/902976549.db2.gz QFJNRETXYFJLRW-FRRDWIJNSA-N 2 0 257.422 1.467 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001269193139 903523804 /nfs/dbraw/zinc/52/38/04/903523804.db2.gz BEQBZEYVBGJTPI-DPOFCPOHSA-N 2 0 279.428 1.485 10 0 CDAERP CC[NH2+]C[C@H]1CCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001270193100 904429770 /nfs/dbraw/zinc/42/97/70/904429770.db2.gz GLIXHNZQTYHQEQ-OAHLLOKOSA-N 2 0 281.444 1.853 10 0 CDAERP CCOCC[NH+]1CCC(C)(NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001270236742 904462781 /nfs/dbraw/zinc/46/27/81/904462781.db2.gz AONSEFBQXCIYBH-CQSZACIVSA-N 2 0 299.459 1.334 10 0 CDAERP Cn1ccnc1[C@H](O)[C@@H]1CCC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261953963 904562540 /nfs/dbraw/zinc/56/25/40/904562540.db2.gz GKAMIKUEKCLVFS-IIAWOOMASA-N 2 0 292.427 1.165 10 0 CDAERP C([C@H]1CCC[NH2+]C1)[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000261957393 904577026 /nfs/dbraw/zinc/57/70/26/904577026.db2.gz OUKOGYZTDLQRSU-LSDHHAIUSA-N 2 0 252.402 1.879 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@H](C)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001482293805 904691329 /nfs/dbraw/zinc/69/13/29/904691329.db2.gz ZZLGIHITDAZYKR-OLZOCXBDSA-N 2 0 287.423 1.655 10 0 CDAERP CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001482302885 904819223 /nfs/dbraw/zinc/81/92/23/904819223.db2.gz REKXGJHEMKKWCH-KBPBESRZSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482353363 905177033 /nfs/dbraw/zinc/17/70/33/905177033.db2.gz HVHSZHUSRTUSRM-ZIAGYGMSSA-N 2 0 269.433 1.421 10 0 CDAERP CCCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001482427558 905366454 /nfs/dbraw/zinc/36/64/54/905366454.db2.gz BPIIBCXCYBSFKG-GOEBONIOSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001270940528 905472744 /nfs/dbraw/zinc/47/27/44/905472744.db2.gz KLZDXICWWAKFPP-ZFWWWQNUSA-N 2 0 267.417 1.319 10 0 CDAERP CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)CCO1 ZINC001502094355 905703361 /nfs/dbraw/zinc/70/33/61/905703361.db2.gz FZWFTTSBPPNXNR-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP COCCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001271428457 906339595 /nfs/dbraw/zinc/33/95/95/906339595.db2.gz WEBQHGRITFYWQQ-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCC(C)(C)C ZINC001423166457 906392913 /nfs/dbraw/zinc/39/29/13/906392913.db2.gz MHUMBZZZDZLCQO-UONOGXRCSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1[NH2+]CCCF ZINC001271447578 906410718 /nfs/dbraw/zinc/41/07/18/906410718.db2.gz LKAMJUZILFVTDL-ZIAGYGMSSA-N 2 0 297.418 1.268 10 0 CDAERP C[C@@H](CC[NH2+]CC1CC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001272980520 921298565 /nfs/dbraw/zinc/29/85/65/921298565.db2.gz YXGLOMYJBKTTEW-YDHLFZDLSA-N 2 0 281.444 1.611 10 0 CDAERP CCN(CC[NH2+]CCOC(C)C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001482945049 908527447 /nfs/dbraw/zinc/52/74/47/908527447.db2.gz WQFFEVKACWHQAA-HNNXBMFYSA-N 2 0 299.459 1.334 10 0 CDAERP C[NH+]1CCC(C(=O)NC/C=C\C[NH2+]CC2CCC2)CC1 ZINC001483053319 909072010 /nfs/dbraw/zinc/07/20/10/909072010.db2.gz DLMRCODXYYRDOS-IHWYPQMZSA-N 2 0 279.428 1.390 10 0 CDAERP CC(C)=CC[NH2+]C/C=C/CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001483060975 909205247 /nfs/dbraw/zinc/20/52/47/909205247.db2.gz REPGIOHYEXAZOX-MBVDDHJVSA-N 2 0 279.428 1.556 10 0 CDAERP CCO[C@@H]1C[N@H+](C[C@H]2CCCC(C)(C)O2)C[C@H]1C[NH3+] ZINC000714331815 909722639 /nfs/dbraw/zinc/72/26/39/909722639.db2.gz RYTCZMMPCMGZLF-MGPQQGTHSA-N 2 0 270.417 1.630 10 0 CDAERP C[C@@H](C(=O)NC1CC1)[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714448336 909742802 /nfs/dbraw/zinc/74/28/02/909742802.db2.gz SJMUTZZGJYBMDH-NSHDSACASA-N 2 0 267.417 1.350 10 0 CDAERP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000714799646 909762165 /nfs/dbraw/zinc/76/21/65/909762165.db2.gz KDBFMAKBAMVDAV-KFWWJZLASA-N 2 0 279.428 1.210 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@@H]1CC[C@H](C3CC3)O1)C2 ZINC000715414199 909929876 /nfs/dbraw/zinc/92/98/76/909929876.db2.gz LPWLCQBTLOFKKJ-WCDYYPSBSA-N 2 0 250.386 1.756 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000715579890 910018992 /nfs/dbraw/zinc/01/89/92/910018992.db2.gz RRSNQSGCKUNFLQ-RWMBFGLXSA-N 2 0 251.374 1.023 10 0 CDAERP CC1(C)[C@H]([NH2+]CCC2(C)OCCO2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000715896804 910083903 /nfs/dbraw/zinc/08/39/03/910083903.db2.gz WYADQSHHJZLYMW-FRRDWIJNSA-N 2 0 268.401 1.506 10 0 CDAERP C[C@@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001483214827 910085124 /nfs/dbraw/zinc/08/51/24/910085124.db2.gz JXXNGSFEAKTHDM-QWHCGFSZSA-N 2 0 269.433 1.611 10 0 CDAERP COCC[NH2+]C[C@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001483231364 910327627 /nfs/dbraw/zinc/32/76/27/910327627.db2.gz LYOGYRJFGURMQM-NSHDSACASA-N 2 0 299.440 1.164 10 0 CDAERP Cc1nocc1C[NH2+][C@H](C)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001409365733 910336773 /nfs/dbraw/zinc/33/67/73/910336773.db2.gz ADOFOJANXVEWIC-NEPJUHHUSA-N 2 0 296.415 1.308 10 0 CDAERP C[C@@H](C[NH2+]Cc1cncs1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001483266198 910760269 /nfs/dbraw/zinc/76/02/69/910760269.db2.gz GPFHYPFMRIUSPM-RYUDHWBXSA-N 2 0 296.440 1.079 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H](C)CN(C)Cc1ocnc1C ZINC001483403389 911059986 /nfs/dbraw/zinc/05/99/86/911059986.db2.gz JTYGLWOTZNEECB-GFCCVEGCSA-N 2 0 296.415 1.261 10 0 CDAERP CN(CCC[NH2+]CCF)C(=O)CC1CC[NH+](C)CC1 ZINC001483495902 911193558 /nfs/dbraw/zinc/19/35/58/911193558.db2.gz NPTVMMHMFOFLMI-UHFFFAOYSA-N 2 0 273.396 1.126 10 0 CDAERP CC1CC[NH+](CC(=O)N(C)CCC[NH2+]CCC2CC2)CC1 ZINC001483499001 911196773 /nfs/dbraw/zinc/19/67/73/911196773.db2.gz BWLSIPZJQVOYJB-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+](Cc2ccsc2)C1 ZINC001484057868 915376625 /nfs/dbraw/zinc/37/66/25/915376625.db2.gz MKJJSZVVOITWIA-OAHLLOKOSA-N 2 0 295.452 1.780 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]CCCF ZINC001493569070 916396265 /nfs/dbraw/zinc/39/62/65/916396265.db2.gz IIDAHKNUCQJRGI-CYBMUJFWSA-N 2 0 273.396 1.268 10 0 CDAERP CCCCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001485213264 916677805 /nfs/dbraw/zinc/67/78/05/916677805.db2.gz CWUVWRPOHFZWQP-UONOGXRCSA-N 2 0 281.444 1.755 10 0 CDAERP COCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001485238031 916693144 /nfs/dbraw/zinc/69/31/44/916693144.db2.gz ZAJAYSJVFCYOPG-NRXISQOPSA-N 2 0 297.443 1.086 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)C(C)C ZINC001485323522 916839474 /nfs/dbraw/zinc/83/94/74/916839474.db2.gz PZTLWEWISMIKEJ-LSDHHAIUSA-N 2 0 283.460 1.952 10 0 CDAERP CC(C)[N@H+](C)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001485378199 916914965 /nfs/dbraw/zinc/91/49/65/916914965.db2.gz UGCMVZKQOAZZLS-CYBMUJFWSA-N 2 0 257.422 1.563 10 0 CDAERP CCCC[C@@H](C[NH2+]CC)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001485462766 916997254 /nfs/dbraw/zinc/99/72/54/916997254.db2.gz HMZFPNXQDQMICY-GJZGRUSLSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]C/C=C\Cl ZINC001366346906 917357972 /nfs/dbraw/zinc/35/79/72/917357972.db2.gz PSOAPXXZQHGIHC-USKJLILSSA-N 2 0 273.808 1.175 10 0 CDAERP C[NH+]1CCN(CCC[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)CC1 ZINC000921507203 918085150 /nfs/dbraw/zinc/08/51/50/918085150.db2.gz KNIFFVWNJAWFND-YESZJQIVSA-N 2 0 295.471 1.419 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000827076883 936486064 /nfs/dbraw/zinc/48/60/64/936486064.db2.gz WMDYIXZEEORLAL-DGCLKSJQSA-N 2 0 253.390 1.104 10 0 CDAERP Cc1cc([C@@H]([NH3+])CC(=O)N2CCC([NH3+])CC2)cc(Cl)n1 ZINC000832194933 936564263 /nfs/dbraw/zinc/56/42/63/936564263.db2.gz AHBGZFLRYHMQFV-LBPRGKRZSA-N 2 0 296.802 1.383 10 0 CDAERP [NH3+]C1CCC([NH2+]Cc2cn3cccc(F)c3n2)CC1 ZINC000843104564 919565993 /nfs/dbraw/zinc/56/59/93/919565993.db2.gz LQXGCLJTYLLPQO-UHFFFAOYSA-N 2 0 262.332 1.833 10 0 CDAERP CO[C@H]1C[C@@H](C[N@H+]2C[C@@H](c3ccccc3)[C@H](N)C2)C1 ZINC000721943281 920539745 /nfs/dbraw/zinc/53/97/45/920539745.db2.gz PBGHAGKTBOHYLW-DRPJVOAASA-N 2 0 260.381 1.838 10 0 CDAERP CC(C)[NH2+][C@@H](C)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001485890679 920548086 /nfs/dbraw/zinc/54/80/86/920548086.db2.gz BLLIMFJEFKQDRX-AWEZNQCLSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]1C ZINC001486097627 920697816 /nfs/dbraw/zinc/69/78/16/920697816.db2.gz WXHGEOBYVFTQAB-HUUCEWRRSA-N 2 0 283.460 1.952 10 0 CDAERP COCCCC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001486182107 920787135 /nfs/dbraw/zinc/78/71/35/920787135.db2.gz XFLROESZUPWLQF-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCCF)C(C)(C)C1 ZINC001486236209 920833182 /nfs/dbraw/zinc/83/31/82/920833182.db2.gz OBUUSQHIDLRDCB-ZIAGYGMSSA-N 2 0 299.434 1.657 10 0 CDAERP CC[C@@H](F)C[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001273554635 920889024 /nfs/dbraw/zinc/88/90/24/920889024.db2.gz NGGSAPQJMBTXHV-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001486341484 920915384 /nfs/dbraw/zinc/91/53/84/920915384.db2.gz RHMBNTXPYKQLMH-HUUCEWRRSA-N 2 0 299.459 1.022 10 0 CDAERP C[NH+](C)CCCC(=O)NCC1=CC[N@H+](CCCF)CC1 ZINC001486513858 921090734 /nfs/dbraw/zinc/09/07/34/921090734.db2.gz MZHQQRGBEKYMLF-UHFFFAOYSA-N 2 0 285.407 1.436 10 0 CDAERP COC1CC(C[NH+]2CCC(OCCC[NH3+])CC2)C1 ZINC000703840771 922826227 /nfs/dbraw/zinc/82/62/27/922826227.db2.gz DFQPLKLQPZEYHU-UHFFFAOYSA-N 2 0 256.390 1.241 10 0 CDAERP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)[C@@]12C[C@@H]1CCCC2 ZINC000708842229 923194778 /nfs/dbraw/zinc/19/47/78/923194778.db2.gz YAHYYEZMDGHQOQ-LXTVHRRPSA-N 2 0 254.418 1.857 10 0 CDAERP CC(C)OCCC[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709879464 923229032 /nfs/dbraw/zinc/22/90/32/923229032.db2.gz HDIGWFKHDCARMH-GHMZBOCLSA-N 2 0 268.323 1.871 10 0 CDAERP CC/C=C\CC[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001490955999 936835031 /nfs/dbraw/zinc/83/50/31/936835031.db2.gz SLPRTVXVPHFUBD-MGEQYWNPSA-N 2 0 279.428 1.675 10 0 CDAERP COc1ccc(C[N@H+](C)C[C@@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC000923299649 923714683 /nfs/dbraw/zinc/71/46/83/923714683.db2.gz USAJNSATELYQFO-HNNXBMFYSA-N 2 0 276.380 1.506 10 0 CDAERP C[N@H+](CCCOc1ccccc1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923304627 923727334 /nfs/dbraw/zinc/72/73/34/923727334.db2.gz BUKGUFKTNAKSBV-INIZCTEOSA-N 2 0 290.407 1.766 10 0 CDAERP OCCC[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000923315045 923733697 /nfs/dbraw/zinc/73/36/97/923733697.db2.gz DEXILRCWPIEDOW-AGUYFDCRSA-N 2 0 252.402 1.754 10 0 CDAERP CC(C)COC[C@H](O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923329170 923740261 /nfs/dbraw/zinc/74/02/61/923740261.db2.gz PDPCTQKFQDLIIE-IZGVIRRGSA-N 2 0 270.417 1.235 10 0 CDAERP CSC[C@@H](O)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000923391321 923799854 /nfs/dbraw/zinc/79/98/54/923799854.db2.gz XSGDOKJZYUFCIA-KGLIPLIRSA-N 2 0 272.458 1.422 10 0 CDAERP COC(=O)CCCC[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923442399 923836942 /nfs/dbraw/zinc/83/69/42/923836942.db2.gz CBRZLOFCOYEGGT-CYBMUJFWSA-N 2 0 284.400 1.160 10 0 CDAERP FC(F)Oc1ccccc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000923461746 923848174 /nfs/dbraw/zinc/84/81/74/923848174.db2.gz UHLLVJWYLVDENG-UHFFFAOYSA-N 2 0 285.338 1.283 10 0 CDAERP c1c(CN2CC[NH2+]CC[NH2+]CC2)onc1-c1ccccc1 ZINC000923461489 923848248 /nfs/dbraw/zinc/84/82/48/923848248.db2.gz PPZWPKHTRUSDMM-UHFFFAOYSA-N 2 0 286.379 1.336 10 0 CDAERP FC(F)(F)c1ccc(CN2CC[NH2+]CC[NH2+]CC2)cc1 ZINC000923463845 923850747 /nfs/dbraw/zinc/85/07/47/923850747.db2.gz HOGOWHVFBBBIBF-UHFFFAOYSA-N 2 0 287.329 1.700 10 0 CDAERP Cn1cc(-c2cc(C[N@@H+]3CC[C@H](CC[NH3+])C3)on2)cn1 ZINC000923480155 923865830 /nfs/dbraw/zinc/86/58/30/923865830.db2.gz FZZZXRUKHAUWGH-NSHDSACASA-N 2 0 275.356 1.246 10 0 CDAERP CCOC(=O)CCCC[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923496554 923873419 /nfs/dbraw/zinc/87/34/19/923873419.db2.gz HNZPRRQOXJOYOX-STQMWFEESA-N 2 0 256.390 1.637 10 0 CDAERP C[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CC[C@@H]1C[NH3+] ZINC000923502248 923881163 /nfs/dbraw/zinc/88/11/63/923881163.db2.gz ATZJHRDUILQFEA-NWDGAFQWSA-N 2 0 286.379 1.752 10 0 CDAERP CN1CCC[C@H]([NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)C1=O ZINC000923506752 923886131 /nfs/dbraw/zinc/88/61/31/923886131.db2.gz LSLGUQXSASOIJE-ZBFHGGJFSA-N 2 0 293.455 1.709 10 0 CDAERP C[C@H](C(=O)NC1CC1)[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923503589 923893388 /nfs/dbraw/zinc/89/33/88/923893388.db2.gz MYKYMDGAVPXMRI-KGLIPLIRSA-N 2 0 293.455 1.755 10 0 CDAERP [NH3+]CCCCCCC[NH+]1CCC2(CCNC(=O)O2)CC1 ZINC000923527759 923907618 /nfs/dbraw/zinc/90/76/18/923907618.db2.gz PZVDNGDZSXVHBS-UHFFFAOYSA-N 2 0 283.416 1.860 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@H]1CCCC[N@@H+]1CC1CC1 ZINC001491235320 936880664 /nfs/dbraw/zinc/88/06/64/936880664.db2.gz CSYNIIKKUPXHLL-OAHLLOKOSA-N 2 0 279.428 1.463 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[NH2+]CCF)CC[N@@H+]1C ZINC001491250803 936883718 /nfs/dbraw/zinc/88/37/18/936883718.db2.gz UASLCFMTQXDTHJ-HZSPNIEDSA-N 2 0 285.407 1.267 10 0 CDAERP CCOC(=O)CC(C)(C)C[NH2+]CCCN1CC[NH+](C)CC1 ZINC000838986023 936899423 /nfs/dbraw/zinc/89/94/23/936899423.db2.gz GMVZNXPAUPXLFU-UHFFFAOYSA-N 2 0 299.459 1.193 10 0 CDAERP CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001410124417 925104918 /nfs/dbraw/zinc/10/49/18/925104918.db2.gz YXSPCRYLDUXBMI-XQLPTFJDSA-N 2 0 281.444 1.421 10 0 CDAERP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1cncc(F)c1 ZINC001410441675 925693714 /nfs/dbraw/zinc/69/37/14/925693714.db2.gz SJLNBURRLGPNFS-GFCCVEGCSA-N 2 0 296.390 1.109 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)[C@]2(F)CC[NH2+]C2)cc1 ZINC000841848248 937017603 /nfs/dbraw/zinc/01/76/03/937017603.db2.gz FPOFCLXBPROJKF-HZMBPMFUSA-N 2 0 265.332 1.024 10 0 CDAERP Cc1cn(C(C)(C)C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)cn1 ZINC000823726791 925730248 /nfs/dbraw/zinc/73/02/48/925730248.db2.gz SCGVQTIEBNRVTR-CHWSQXEVSA-N 2 0 278.400 1.526 10 0 CDAERP C[C@@H]1[C@@H]([NH2+]C/C=C/Cl)CCN1C(=O)C[NH+]1CCCC1 ZINC001410877454 926721123 /nfs/dbraw/zinc/72/11/23/926721123.db2.gz YXTCIIXRRHUKQG-PBYRWIMMSA-N 2 0 285.819 1.414 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001488851193 926721318 /nfs/dbraw/zinc/72/13/18/926721318.db2.gz NSGMVDHUYHLUAD-WKILWMFISA-N 2 0 293.455 1.923 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001488898313 926736380 /nfs/dbraw/zinc/73/63/80/926736380.db2.gz PJVRYJMMEVYZGK-DQHJZZHNSA-N 2 0 299.846 1.708 10 0 CDAERP C[C@@H](F)CC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001411003671 926878866 /nfs/dbraw/zinc/87/88/66/926878866.db2.gz ZDSQVZPTOXHMMW-CHWSQXEVSA-N 2 0 287.423 1.513 10 0 CDAERP c1ncn2c1C[C@@H](c1nc(CC3CC[NH2+]CC3)no1)CC2 ZINC000843133110 937116272 /nfs/dbraw/zinc/11/62/72/937116272.db2.gz CAKTWWSQPGUDEY-LBPRGKRZSA-N 2 0 287.367 1.538 10 0 CDAERP CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001495247444 926934751 /nfs/dbraw/zinc/93/47/51/926934751.db2.gz CHGGCEOKLOQHGB-GDBMZVCRSA-N 2 0 279.428 1.223 10 0 CDAERP COCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001490305158 927093276 /nfs/dbraw/zinc/09/32/76/927093276.db2.gz DNAFIHRIZXQSHZ-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP CCCCCC[C@](O)(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C(=O)OC ZINC000851732657 927615203 /nfs/dbraw/zinc/61/52/03/927615203.db2.gz WNEDCGUQSNBSFV-LZWOXQAQSA-N 2 0 298.427 1.012 10 0 CDAERP COC[C@@H](C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1)OC ZINC000852007708 927686283 /nfs/dbraw/zinc/68/62/83/927686283.db2.gz QQHSONIFUIZRAZ-CQSZACIVSA-N 2 0 270.417 1.456 10 0 CDAERP CC[NH+](CC)CCC[C@H](C)NC(=O)C=C1CC[NH2+]CC1 ZINC000852855077 927896182 /nfs/dbraw/zinc/89/61/82/927896182.db2.gz VYRFORUEMCLNLM-AWEZNQCLSA-N 2 0 281.444 1.923 10 0 CDAERP C[NH+]1CCN(c2ccc(NC(=O)CC3([NH3+])CC3)cc2)CC1 ZINC000852872163 927904122 /nfs/dbraw/zinc/90/41/22/927904122.db2.gz IWVCNAJHGNADHW-UHFFFAOYSA-N 2 0 288.395 1.258 10 0 CDAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)C=C3CC[NH2+]CC3)CC[C@@H]21 ZINC000852888003 927907184 /nfs/dbraw/zinc/90/71/84/927907184.db2.gz GSFJBGWICPKVRN-CABCVRRESA-N 2 0 277.412 1.239 10 0 CDAERP CN(CC1C[NH+](C)C1)C(=O)CCCC[NH+]1CCCC1 ZINC000855639863 928452299 /nfs/dbraw/zinc/45/22/99/928452299.db2.gz OPDYXPWPUJHDRQ-UHFFFAOYSA-N 2 0 267.417 1.273 10 0 CDAERP CN(CCC(=O)N[C@H]1CCn2cncc21)c1cc[nH+]cc1 ZINC000857982286 928790861 /nfs/dbraw/zinc/79/08/61/928790861.db2.gz HMEMMXUFPPVWQC-ZDUSSCGKSA-N 2 0 285.351 1.366 10 0 CDAERP C[NH+](C)CCCN(CCC[NH+](C)C)c1nccnc1F ZINC000858433874 928862051 /nfs/dbraw/zinc/86/20/51/928862051.db2.gz OAUMIIHDEZNIEN-UHFFFAOYSA-N 2 0 283.395 1.326 10 0 CDAERP C[NH+](C)CCNC(=S)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000863230063 929522758 /nfs/dbraw/zinc/52/27/58/929522758.db2.gz QRZVBPHIAKBWFK-CYBMUJFWSA-N 2 0 284.473 1.029 10 0 CDAERP C[NH+]1CCC(C(=O)N2CC[N@H+](C)[C@H](C(C)(C)C)C2)CC1 ZINC000880614754 929726960 /nfs/dbraw/zinc/72/69/60/929726960.db2.gz YXOVXSVVEGHVTL-AWEZNQCLSA-N 2 0 281.444 1.517 10 0 CDAERP CC(C)=CC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001274037431 931135512 /nfs/dbraw/zinc/13/55/12/931135512.db2.gz QSZQQHXWJNRUCH-XEVLESSRSA-N 2 0 279.428 1.555 10 0 CDAERP CCC[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001274124881 931185042 /nfs/dbraw/zinc/18/50/42/931185042.db2.gz KJEHNVCTLHPBID-URWSZGRFSA-N 2 0 253.390 1.143 10 0 CDAERP CCC[NH+]1CCC(C[NH2+]Cc2nn(CC)nc2C)CC1 ZINC000823812738 931358201 /nfs/dbraw/zinc/35/82/01/931358201.db2.gz ONOIQUIBQHOXEY-UHFFFAOYSA-N 2 0 279.432 1.818 10 0 CDAERP C[N@H+](CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CCF)C1CCC1 ZINC001320148065 931499970 /nfs/dbraw/zinc/49/99/70/931499970.db2.gz SUKAJILORGZETC-GXTWGEPZSA-N 2 0 285.407 1.315 10 0 CDAERP CC/C=C/CC[NH2+]C/C=C/CNC(=O)C12CC[NH+](CC1)C2 ZINC001274509151 931505179 /nfs/dbraw/zinc/50/51/79/931505179.db2.gz KDCJAWFBLYEXCH-FZWLCVONSA-N 2 0 291.439 1.701 10 0 CDAERP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCC[NH2+]C2)cc1F ZINC000844187485 931555371 /nfs/dbraw/zinc/55/53/71/931555371.db2.gz HCTTWVIULLUZJN-LLVKDONJSA-N 2 0 279.359 1.825 10 0 CDAERP CC[NH+](CC)CC(=O)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC000844193553 931555778 /nfs/dbraw/zinc/55/57/78/931555778.db2.gz PRFKHCGRXZQLHD-UHFFFAOYSA-N 2 0 279.388 1.088 10 0 CDAERP CCC[NH2+]C[C@H](NC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001323115226 931739463 /nfs/dbraw/zinc/73/94/63/931739463.db2.gz VQOCBUVUVYPGJA-HNNXBMFYSA-N 2 0 281.444 1.757 10 0 CDAERP COCCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001279193041 931815620 /nfs/dbraw/zinc/81/56/20/931815620.db2.gz IGIFNWIEFIPIJG-LSDHHAIUSA-N 2 0 299.459 1.047 10 0 CDAERP CC1(C)[C@H](N[C@H]2CC[N@@H+](C3CC3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925494873 931879938 /nfs/dbraw/zinc/87/99/38/931879938.db2.gz LNTQVOPNEBXFLR-PMOUVXMZSA-N 2 0 263.429 1.589 10 0 CDAERP CC(C)[N@H+](C)C[C@H](C)NC(=O)CC[NH+]1CC[C@@H](F)C1 ZINC001412199810 932321113 /nfs/dbraw/zinc/32/11/13/932321113.db2.gz HABKOHLQTCVKEE-QWHCGFSZSA-N 2 0 273.396 1.265 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N[C@@]1(C)C[NH+]2CCC1CC2 ZINC001146874787 932350674 /nfs/dbraw/zinc/35/06/74/932350674.db2.gz VURKTRRAAGQLQW-WFASDCNBSA-N 2 0 267.417 1.175 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001412303041 932368645 /nfs/dbraw/zinc/36/86/45/932368645.db2.gz XUSRGADMOKRXMT-LSDHHAIUSA-N 2 0 283.460 1.809 10 0 CDAERP CC[NH+](CC)CCC[NH2+][C@H]1CCOC12CCOCC2 ZINC000924526926 932798874 /nfs/dbraw/zinc/79/88/74/932798874.db2.gz IHUORDAIWGBQST-AWEZNQCLSA-N 2 0 270.417 1.646 10 0 CDAERP CC(C)[C@H]1COCC[C@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000924579070 932801894 /nfs/dbraw/zinc/80/18/94/932801894.db2.gz USRGTYAKGGZNKR-HZPDHXFCSA-N 2 0 283.460 1.275 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)NCc2cc(N(C)C)cc[nH+]2)CC[N@@H+]1C ZINC000924676896 932812332 /nfs/dbraw/zinc/81/23/32/932812332.db2.gz IANXGKPGWKBJDH-RISCZKNCSA-N 2 0 291.399 1.039 10 0 CDAERP O[C@@H](C[NH2+][C@@H](C1CC1)C1CCOCC1)C[NH+]1CCCC1 ZINC000924758324 932819708 /nfs/dbraw/zinc/81/97/08/932819708.db2.gz URMBGUHFGHHSRK-HOTGVXAUSA-N 2 0 282.428 1.238 10 0 CDAERP C[C@H](C[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2)CN1CC[NH+](C)CC1 ZINC000924953636 932835850 /nfs/dbraw/zinc/83/58/50/932835850.db2.gz RJXNNMMSHJHSOK-TWMKSMIVSA-N 2 0 277.456 1.814 10 0 CDAERP C[C@H](C[NH2+]C1[C@H](C)COC[C@H]1C)CN1CC[NH+](C)CC1 ZINC000924949354 932836466 /nfs/dbraw/zinc/83/64/66/932836466.db2.gz LIZBGXOALHJOFW-RBSFLKMASA-N 2 0 283.460 1.131 10 0 CDAERP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC2CCC1CC2 ZINC000924994488 932841445 /nfs/dbraw/zinc/84/14/45/932841445.db2.gz UQVKMMACJYGVNP-SLTXQBBLSA-N 2 0 265.445 1.791 10 0 CDAERP C[C@H](CN[C@@H]1CC[NH2+]C12CCC2)C[NH+]1CCCCC1 ZINC000925484748 932891487 /nfs/dbraw/zinc/89/14/87/932891487.db2.gz JJABTYCWDVOMGK-HUUCEWRRSA-N 2 0 265.445 1.983 10 0 CDAERP CC1(C)[C@H]([NH2+]CCCN2CCOCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925489875 932893028 /nfs/dbraw/zinc/89/30/28/932893028.db2.gz CGDWEUGKSABLTP-QLFBSQMISA-N 2 0 281.444 1.075 10 0 CDAERP C[C@H](CN[C@H]1C[C@@H]([NH3+])C12CCC2)[NH+]1CCC(C)CC1 ZINC000925511602 932897226 /nfs/dbraw/zinc/89/72/26/932897226.db2.gz PTMHHQSBPWKQPT-KFWWJZLASA-N 2 0 265.445 1.966 10 0 CDAERP C[C@H](CO[C@@H]1CCOC1)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925538331 932901688 /nfs/dbraw/zinc/90/16/88/932901688.db2.gz ADVDHAHFERMYIM-YIYPIFLZSA-N 2 0 270.417 1.676 10 0 CDAERP CC1(C)[C@@H]([NH2+]CCOCC2CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925556259 932904043 /nfs/dbraw/zinc/90/40/43/932904043.db2.gz JHAOTYVMASDKHN-RDBSUJKOSA-N 2 0 252.402 1.779 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000925575426 932908115 /nfs/dbraw/zinc/90/81/15/932908115.db2.gz GNUMRIOGOAARGL-YSEJDXQZSA-N 2 0 296.480 1.971 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]CCCNC(=O)C2CCC2)C12CCC2 ZINC000925578028 932909257 /nfs/dbraw/zinc/90/92/57/932909257.db2.gz YUXXYHZGARMIIX-OLZOCXBDSA-N 2 0 265.401 1.152 10 0 CDAERP C[C@](O)(C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2)c1ccsc1 ZINC000925623140 932916334 /nfs/dbraw/zinc/91/63/34/932916334.db2.gz PAZKIDIHKNQBKH-AVGNSLFASA-N 2 0 266.410 1.815 10 0 CDAERP CC[NH+](CC)CCOCCN[C@H]1CC[NH2+]C12CCCC2 ZINC000925648070 932920975 /nfs/dbraw/zinc/92/09/75/932920975.db2.gz NMOVUYRSUIZVLP-HNNXBMFYSA-N 2 0 283.460 1.609 10 0 CDAERP COC(=O)N1CCC([C@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925647629 932921136 /nfs/dbraw/zinc/92/11/36/932921136.db2.gz ZIIXUVNJVAZYKC-GXTWGEPZSA-N 2 0 295.427 1.728 10 0 CDAERP CCOC1CC(O)(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000925660630 932923170 /nfs/dbraw/zinc/92/31/70/932923170.db2.gz RSXUZZUKVBUTHG-MXIHSMQYSA-N 2 0 282.428 1.283 10 0 CDAERP CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)[C@@H](O)C(F)F ZINC000925678341 932926278 /nfs/dbraw/zinc/92/62/78/932926278.db2.gz CPRHVTWIMFZKHE-ZRUFSTJUSA-N 2 0 264.360 1.887 10 0 CDAERP CC(C)(CC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)S(C)(=O)=O ZINC000925695600 932928703 /nfs/dbraw/zinc/92/87/03/932928703.db2.gz IPTHLDCWWTUKPP-VXGBXAGGSA-N 2 0 290.473 1.695 10 0 CDAERP CCS(=O)(=O)C1(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925705891 932929471 /nfs/dbraw/zinc/92/94/71/932929471.db2.gz ITLVQKRUJZZQBF-NWDGAFQWSA-N 2 0 288.457 1.449 10 0 CDAERP CNC(=O)CC1(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)CCCCC1 ZINC000925715080 932931515 /nfs/dbraw/zinc/93/15/15/932931515.db2.gz CJROOJATZBDDEB-ZIAGYGMSSA-N 2 0 293.455 1.933 10 0 CDAERP CC(C)(C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C(=O)N1CCCC1 ZINC000925720137 932931593 /nfs/dbraw/zinc/93/15/93/932931593.db2.gz WYFHQOYQWWIIFD-LXFSFDBISA-N 2 0 291.439 1.221 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]CCC[C@@H]2CCOC2=O)C12CCC2 ZINC000925731101 932933253 /nfs/dbraw/zinc/93/32/53/932933253.db2.gz RVKPLHOZNSKZIM-UTUOFQBUSA-N 2 0 252.358 1.189 10 0 CDAERP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925726931 932933636 /nfs/dbraw/zinc/93/36/36/932933636.db2.gz MBWTWJNIEQSLQX-FAAHXZRKSA-N 3 0 251.418 1.482 10 0 CDAERP COC(=O)c1cc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])n(C)c1C ZINC000925769741 932936026 /nfs/dbraw/zinc/93/60/26/932936026.db2.gz PZDMZKKRTAMOPU-NXEZZACHSA-N 2 0 267.373 1.336 10 0 CDAERP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCc1cc(N)cc[nH+]1 ZINC000925769126 932937424 /nfs/dbraw/zinc/93/74/24/932937424.db2.gz YNPLXFCUOHBODY-BLLLJJGKSA-N 2 0 270.380 1.712 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000925784897 932939251 /nfs/dbraw/zinc/93/92/51/932939251.db2.gz TWABDQAHHOPFGX-YQFWSFKMSA-N 2 0 273.424 1.847 10 0 CDAERP [NH3+]C1CCN(CC[NH2+]C2C3CC4CC(C3)CC2C4)CC1 ZINC000925808463 932940450 /nfs/dbraw/zinc/94/04/50/932940450.db2.gz KLNMIQIOXRKLPW-UHFFFAOYSA-N 2 0 277.456 1.824 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@H]2CCC[C@H]2CCCF)CC1 ZINC000925817686 932942222 /nfs/dbraw/zinc/94/22/22/932942222.db2.gz VMVSKRLMTWBAEM-ZFWWWQNUSA-N 2 0 271.424 1.918 10 0 CDAERP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2C[C@H]2[C@@H]2C[C@H]2C)CC[NH2+]CC1 ZINC000925824771 932942874 /nfs/dbraw/zinc/94/28/74/932942874.db2.gz VRIAEANUKSMDSH-QKGCVVFFSA-N 2 0 294.439 1.942 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC[C@@H](N(C)C)C(F)(F)F ZINC000925837600 932944323 /nfs/dbraw/zinc/94/43/23/932944323.db2.gz RCEMKILOPSZSEH-NNYUYHANSA-N 2 0 297.365 1.211 10 0 CDAERP CCO[C@@H](CN[C@H]1CC[NH2+]C12CCCC2)C[NH+](C)C ZINC000925837311 932944684 /nfs/dbraw/zinc/94/46/84/932944684.db2.gz GAMOEHPJTKDXAS-KBPBESRZSA-N 2 0 269.433 1.217 10 0 CDAERP CCO[C@@H](CN[C@H](C)c1c[nH+]ccc1N)C[NH+](C)C ZINC000925838969 932944805 /nfs/dbraw/zinc/94/48/05/932944805.db2.gz OJHBJVFHJRRRLW-NEPJUHHUSA-N 2 0 266.389 1.111 10 0 CDAERP C[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)[C@H]1CCCOC1 ZINC000925844408 932945627 /nfs/dbraw/zinc/94/56/27/932945627.db2.gz LDMBWGQGFKRVAA-HOTGVXAUSA-N 2 0 283.460 1.467 10 0 CDAERP C[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)C1CCOCC1 ZINC000925843664 932945906 /nfs/dbraw/zinc/94/59/06/932945906.db2.gz GDMXKDAEKCVIIW-OAHLLOKOSA-N 2 0 283.460 1.467 10 0 CDAERP C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)[C@@H]1CCCOC1 ZINC000925859640 932946987 /nfs/dbraw/zinc/94/69/87/932946987.db2.gz XISSCCUNWXMWCA-BFHYXJOUSA-N 2 0 296.411 1.076 10 0 CDAERP C(c1nc([C@@H]2C[NH+]3CCC2CC3)no1)[C@H]1CC[NH2+]C1 ZINC001118605619 937646397 /nfs/dbraw/zinc/64/63/97/937646397.db2.gz OUDVBAGOGBLGNC-ZYHUDNBSSA-N 2 0 262.357 1.031 10 0 CDAERP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccnn1CC1CCC1 ZINC000926256036 932977989 /nfs/dbraw/zinc/97/79/89/932977989.db2.gz ORZFZMDOIOFRDY-CQSZACIVSA-N 2 0 294.443 1.912 10 0 CDAERP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccns1 ZINC000926357974 932983060 /nfs/dbraw/zinc/98/30/60/932983060.db2.gz TURKDOQHODTGRR-GFCCVEGCSA-N 2 0 282.457 1.820 10 0 CDAERP c1[nH+]cn2ccc(-c3noc([C@H]4[NH2+]C[C@H]5C[C@H]54)n3)cc12 ZINC001118960065 937682070 /nfs/dbraw/zinc/68/20/70/937682070.db2.gz PJRKHRDLRNDDMJ-JLLWLGSASA-N 2 0 267.292 1.665 10 0 CDAERP [NH3+]C[C@@H]1CCN(C[C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC001119066621 937693027 /nfs/dbraw/zinc/69/30/27/937693027.db2.gz NSWWEUIGYLTDPT-KGLIPLIRSA-N 2 0 259.397 1.939 10 0 CDAERP CO[C@@H](C[NH+]1CCC(C)([NH+](C)C)CC1)[C@H]1CCOC1 ZINC000931355528 933547984 /nfs/dbraw/zinc/54/79/84/933547984.db2.gz UAFWJJQHLISELP-KBPBESRZSA-N 2 0 270.417 1.454 10 0 CDAERP C[NH+](C)C1(C)CC[NH+](C[C@@H]2CCNC(=O)CC2)CC1 ZINC000931356441 933548816 /nfs/dbraw/zinc/54/88/16/933548816.db2.gz XMXMAAMDMFXTKF-ZDUSSCGKSA-N 2 0 267.417 1.319 10 0 CDAERP CCOc1cccc(C[NH+]2CCC(O)(C[NH+](C)C)CC2)n1 ZINC000931482670 933573424 /nfs/dbraw/zinc/57/34/24/933573424.db2.gz LGKMFFVUFFYKEO-UHFFFAOYSA-N 2 0 293.411 1.369 10 0 CDAERP C(C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1)OCC1CC1 ZINC001119439234 937719801 /nfs/dbraw/zinc/71/98/01/937719801.db2.gz SDEGXJNWLOUYHK-HNNXBMFYSA-N 2 0 252.402 1.879 10 0 CDAERP CC(C)=CC[NH2+][C@H]1CCN(C(=O)C(C)(C)c2cnc[nH]2)C1 ZINC001490852079 934504044 /nfs/dbraw/zinc/50/40/44/934504044.db2.gz HTPIWFHLDDBSAA-ZDUSSCGKSA-N 2 0 290.411 1.844 10 0 CDAERP CCCCC[NH2+][C@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001327591337 934755493 /nfs/dbraw/zinc/75/54/93/934755493.db2.gz JISMAOWRLSDPPR-MRXNPFEDSA-N 2 0 299.459 1.071 10 0 CDAERP OC1(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)CCCCC1 ZINC000037904552 934834363 /nfs/dbraw/zinc/83/43/63/934834363.db2.gz OLNOIHXJKONOKG-ZDUSSCGKSA-N 2 0 252.402 1.756 10 0 CDAERP CC(C)[NH2+]CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001568678288 1169426556 /nfs/dbraw/zinc/42/65/56/1169426556.db2.gz NZQBEYXEEBVTDV-QWHCGFSZSA-N 2 0 255.406 1.221 10 0 CDAERP [NH3+][C@H]1C[C@H]([NH2+]CCc2nnc3ccccn32)C12CCC2 ZINC000405255728 940976754 /nfs/dbraw/zinc/97/67/54/940976754.db2.gz MCIAFERTTSLPTP-RYUDHWBXSA-N 2 0 271.368 1.131 10 0 CDAERP CCOCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001280457898 942445514 /nfs/dbraw/zinc/44/55/14/942445514.db2.gz CUGVSPDWRVLLGZ-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP C[NH+](C)CCCCC(=O)N[C@@H]1CCC[N@H+](CCF)CC1 ZINC001280770500 942484750 /nfs/dbraw/zinc/48/47/50/942484750.db2.gz QXTPKRYVOWUEIC-CQSZACIVSA-N 2 0 287.423 1.659 10 0 CDAERP C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)[C@@H](C)[NH2+]CCCF ZINC001282210045 942678436 /nfs/dbraw/zinc/67/84/36/942678436.db2.gz YDLIPECDBXEDET-ZIAGYGMSSA-N 2 0 287.423 1.561 10 0 CDAERP CC[N@H+](C)CCOCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001283422655 942895889 /nfs/dbraw/zinc/89/58/89/942895889.db2.gz PUQATRRDUCFYTA-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP CC[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+]2CC[C@@H](F)C2)C1 ZINC001362167138 970968653 /nfs/dbraw/zinc/96/86/53/970968653.db2.gz LJISLCRUXIEYDT-UONOGXRCSA-N 2 0 285.407 1.268 10 0 CDAERP CCCC[NH2+]C1CC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001284815293 943262244 /nfs/dbraw/zinc/26/22/44/943262244.db2.gz ILRUKVAFKGLLAE-NFOMZHRRSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001316635584 943275682 /nfs/dbraw/zinc/27/56/82/943275682.db2.gz FGWUVMCOSPZUNR-BZUAXINKSA-N 2 0 293.455 1.779 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCCF ZINC001277852308 943820471 /nfs/dbraw/zinc/82/04/71/943820471.db2.gz WVIMHIGFXLQNRB-GJZGRUSLSA-N 2 0 299.434 1.799 10 0 CDAERP CC(C)[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001263811897 943982945 /nfs/dbraw/zinc/98/29/45/943982945.db2.gz CCNLQKQYYUMJJZ-KBPBESRZSA-N 2 0 267.417 1.269 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001264158822 944091115 /nfs/dbraw/zinc/09/11/15/944091115.db2.gz BHJXJFLTWSFXFO-WJNHHXLDSA-N 2 0 281.444 1.873 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001264430593 944135490 /nfs/dbraw/zinc/13/54/90/944135490.db2.gz GWGRSHVYOQMUSC-HDJSIYSDSA-N 2 0 281.444 1.613 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001265429458 944385883 /nfs/dbraw/zinc/38/58/83/944385883.db2.gz YWFSQAGJQVLEHK-GJZGRUSLSA-N 2 0 281.444 1.850 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001265451485 944392619 /nfs/dbraw/zinc/39/26/19/944392619.db2.gz QGIHAWKODHEDKK-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CC[C@H]([NH2+]CCCF)C1 ZINC001265456529 944394754 /nfs/dbraw/zinc/39/47/54/944394754.db2.gz XRHPKPLRVUXWNU-ZDUSSCGKSA-N 2 0 273.396 1.268 10 0 CDAERP CC(C)OCC[NH2+][C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001265481823 944404802 /nfs/dbraw/zinc/40/48/02/944404802.db2.gz XQTVUMGVGFMAPP-HDJSIYSDSA-N 2 0 297.443 1.133 10 0 CDAERP CCCC[NH2+]C[C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001265630979 944451009 /nfs/dbraw/zinc/45/10/09/944451009.db2.gz UISLMQZRCWPUIF-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP C[NH+](CC(=O)NCCC[N@@H+](C)C/C=C/Cl)C1CCC1 ZINC001265863134 944546622 /nfs/dbraw/zinc/54/66/22/944546622.db2.gz UDIAPIDYCDWRFZ-XBXARRHUSA-N 2 0 287.835 1.661 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]CCCCCF)C2)C1 ZINC001265945360 944589851 /nfs/dbraw/zinc/58/98/51/944589851.db2.gz KGZDATVOAKVTKI-KGLIPLIRSA-N 2 0 285.407 1.268 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@H](C)[NH2+]C(C)C ZINC001266191855 944743535 /nfs/dbraw/zinc/74/35/35/944743535.db2.gz LLQSSVLTCZQXCV-KBPBESRZSA-N 2 0 269.433 1.754 10 0 CDAERP C[C@@H]1[C@H]([NH2+]CCCF)CCN1C(=O)CCCC[NH+](C)C ZINC001278316254 945928135 /nfs/dbraw/zinc/92/81/35/945928135.db2.gz QHCSQKLKABKFFU-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N(C)[C@H]2CCC[NH+](C)C2)C1 ZINC001362390467 971221335 /nfs/dbraw/zinc/22/13/35/971221335.db2.gz YQCWMTNYCCKKIF-GJZGRUSLSA-N 2 0 281.444 1.659 10 0 CDAERP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001362438067 971271372 /nfs/dbraw/zinc/27/13/72/971271372.db2.gz HAFAIAGKQXPVFO-KFWWJZLASA-N 2 0 297.418 1.506 10 0 CDAERP CC(C)=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001278415273 947813943 /nfs/dbraw/zinc/81/39/43/947813943.db2.gz GRSZPIWDBOZQLD-HUUCEWRRSA-N 2 0 291.439 1.627 10 0 CDAERP COCC[NH2+][C@H]1C[C@H](C)N(C(=O)CC[NH+]2CCCCC2)C1 ZINC001278424697 947889363 /nfs/dbraw/zinc/88/93/63/947889363.db2.gz VGPLAIDIVKWAAQ-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CCCC[NH2+]C[C@@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001568998164 1169585710 /nfs/dbraw/zinc/58/57/10/1169585710.db2.gz VKXUTLCKFATFHE-ZIAGYGMSSA-N 2 0 269.433 1.755 10 0 CDAERP CC[N@H+](C)CCN(C(=O)[C@H]1CCC[NH+]1C)C(C)C ZINC001278898976 948133356 /nfs/dbraw/zinc/13/33/56/948133356.db2.gz CLNJYKNJGSTEOZ-CYBMUJFWSA-N 2 0 255.406 1.269 10 0 CDAERP COCC[NH2+]C[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C(C)(C)C ZINC001279003457 948560235 /nfs/dbraw/zinc/56/02/35/948560235.db2.gz ZOJGLNFDRSRSMA-UONOGXRCSA-N 2 0 299.459 1.095 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)C(C)(C)C ZINC001279021935 948610359 /nfs/dbraw/zinc/61/03/59/948610359.db2.gz RCFJZOQQGHUMJV-LBPRGKRZSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]CC1=CCCCC1 ZINC001569039056 1169607154 /nfs/dbraw/zinc/60/71/54/1169607154.db2.gz VFMXXKDLBKIXJC-CQSZACIVSA-N 2 0 281.444 1.921 10 0 CDAERP CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001480383324 971695612 /nfs/dbraw/zinc/69/56/12/971695612.db2.gz OIKSRZDUGVMIEY-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP CCCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001278666467 951279849 /nfs/dbraw/zinc/27/98/49/951279849.db2.gz CGPIRNIYEQWBCL-CYBMUJFWSA-N 2 0 269.433 1.565 10 0 CDAERP COCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001480616250 971809849 /nfs/dbraw/zinc/80/98/49/971809849.db2.gz JQMHSWXVKFDUQN-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001480619669 971811439 /nfs/dbraw/zinc/81/14/39/971811439.db2.gz MVWFGVDRILPDHE-HNNXBMFYSA-N 2 0 279.428 1.629 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CC(C)C)C1 ZINC001480646781 971825003 /nfs/dbraw/zinc/82/50/03/971825003.db2.gz WDDMNHGZSJVHRR-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CCCOC)C1)[NH+](C)C ZINC001480728819 971854503 /nfs/dbraw/zinc/85/45/03/971854503.db2.gz AOWFAMDTIZEPSA-HUUCEWRRSA-N 2 0 299.459 1.286 10 0 CDAERP CCC[NH2+]C[C@@]1(C)CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001324741968 953554052 /nfs/dbraw/zinc/55/40/52/953554052.db2.gz OTGONKKFDHJWNW-MRXNPFEDSA-N 2 0 281.444 1.709 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CCCF ZINC001569168973 1169700587 /nfs/dbraw/zinc/70/05/87/1169700587.db2.gz LJLDLBHXHSJBAP-KGLIPLIRSA-N 2 0 287.423 1.562 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H](C)CC[NH+](C)C ZINC001290770654 954072620 /nfs/dbraw/zinc/07/26/20/954072620.db2.gz YZSPIECMQVIBMX-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001326305089 954312287 /nfs/dbraw/zinc/31/22/87/954312287.db2.gz SFBJWJIZQWDVAX-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CC[C@H]([NH+](C)CC)C1 ZINC001364285189 954420724 /nfs/dbraw/zinc/42/07/24/954420724.db2.gz ZGZBUDKGZZXOBZ-CABCVRRESA-N 2 0 298.475 1.842 10 0 CDAERP CCC[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CCC1 ZINC001326913472 954617480 /nfs/dbraw/zinc/61/74/80/954617480.db2.gz NDZIJJMNGWKADT-UHFFFAOYSA-N 2 0 265.401 1.121 10 0 CDAERP CC(C)[N@H+](C)CCCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001327276374 954807440 /nfs/dbraw/zinc/80/74/40/954807440.db2.gz AILLLIKNAOIDFX-CQSZACIVSA-N 2 0 269.433 1.517 10 0 CDAERP CCC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H]([NH3+])C(C)C ZINC001327612440 954961548 /nfs/dbraw/zinc/96/15/48/954961548.db2.gz DBEGHYZLRZWHSQ-ZIAGYGMSSA-N 2 0 269.433 1.741 10 0 CDAERP OC1(CC[NH+]2CCC([NH2+]C3CCOCC3)CC2)CCC1 ZINC001364804860 955186652 /nfs/dbraw/zinc/18/66/52/955186652.db2.gz XDABFMLNHZBDJM-UHFFFAOYSA-N 2 0 282.428 1.525 10 0 CDAERP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CCc1cccs1 ZINC001491673531 955381004 /nfs/dbraw/zinc/38/10/04/955381004.db2.gz JGTHEUUJNKUZAI-CYBMUJFWSA-N 2 0 295.452 1.481 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CC[NH2+]CCF)C1 ZINC001493666028 972097387 /nfs/dbraw/zinc/09/73/87/972097387.db2.gz CGMZHXQGOGXWCM-CYBMUJFWSA-N 2 0 273.396 1.126 10 0 CDAERP CN(CC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)C(=O)CCC[NH+](C)C ZINC001493678427 972098741 /nfs/dbraw/zinc/09/87/41/972098741.db2.gz YYQOEVFDQYIKSM-OAGGEKHMSA-N 2 0 295.471 1.812 10 0 CDAERP C[C@@H](F)CC[NH2+]CCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001493805965 972117103 /nfs/dbraw/zinc/11/71/03/972117103.db2.gz CDERKMWHNJUERJ-CQSZACIVSA-N 2 0 287.423 1.659 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001492304851 955786116 /nfs/dbraw/zinc/78/61/16/955786116.db2.gz XMWCXNCBAJGEIG-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP [NH3+]CCCCCCNC(=O)N1CCC(c2c[nH]cn2)CC1 ZINC001329282998 955796903 /nfs/dbraw/zinc/79/69/03/955796903.db2.gz XUIXZIPDWWAQBQ-UHFFFAOYSA-N 2 0 293.415 1.818 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001492293963 955817108 /nfs/dbraw/zinc/81/71/08/955817108.db2.gz SVGAGNSOHSCXPM-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CCCF)[NH+](C)C ZINC001422228198 955866097 /nfs/dbraw/zinc/86/60/97/955866097.db2.gz LLYXDBGKUQJLLM-ZIAGYGMSSA-N 2 0 287.423 1.609 10 0 CDAERP Cc1cccc(C)c1C[N@@H+](C)CCNC(=O)CC[NH+](C)C ZINC001492402127 955866625 /nfs/dbraw/zinc/86/66/25/955866625.db2.gz JHYNTDSVUXYKDJ-UHFFFAOYSA-N 2 0 291.439 1.803 10 0 CDAERP CC[C@H](C)C[N@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001422242766 955879727 /nfs/dbraw/zinc/87/97/27/955879727.db2.gz FTSAWYQLJPMRMM-GJZGRUSLSA-N 2 0 283.460 1.907 10 0 CDAERP OC1(C[NH+]2CCCCC2)CC[NH+](CCC2OCCO2)CC1 ZINC001422429662 955996739 /nfs/dbraw/zinc/99/67/39/955996739.db2.gz BQDSNYLPPDTIKC-UHFFFAOYSA-N 2 0 298.427 1.062 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001365829150 956390492 /nfs/dbraw/zinc/39/04/92/956390492.db2.gz NSHTUJIMLJWSFE-KFWWJZLASA-N 2 0 283.460 1.857 10 0 CDAERP CC(C)[NH2+][C@@H]1CC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001365857430 956411611 /nfs/dbraw/zinc/41/16/11/956411611.db2.gz NTJGJEKNQOLVOP-UONOGXRCSA-N 2 0 281.444 1.611 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H]2C[NH+](CCC)C[C@@H]2C1 ZINC001422878381 956420253 /nfs/dbraw/zinc/42/02/53/956420253.db2.gz ODBSTSFVZURSQS-OWCLPIDISA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H]1[C@H](C(=O)NC[C@H]([NH2+]C/C=C/Cl)C2CC2)CC[N@@H+]1C ZINC001366031020 956522719 /nfs/dbraw/zinc/52/27/19/956522719.db2.gz HCJZIAITJLLYJK-LTZQABKHSA-N 2 0 299.846 1.564 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCC(C)(C)C)C2)C1 ZINC001330700746 956575774 /nfs/dbraw/zinc/57/57/74/956575774.db2.gz UVJRMTFLODWMNT-KKUMJFAQSA-N 2 0 295.471 1.859 10 0 CDAERP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC1CC2(CCC2)C1 ZINC001366360611 956771904 /nfs/dbraw/zinc/77/19/04/956771904.db2.gz VGAYRGXVLYTVJJ-CQSZACIVSA-N 2 0 293.455 1.757 10 0 CDAERP Cc1cnc(C[NH2+][C@@H](C)CCNC(=O)CC[NH+](C)C)s1 ZINC001366485908 956868030 /nfs/dbraw/zinc/86/80/30/956868030.db2.gz IXFWWHNOJLXCPB-NSHDSACASA-N 2 0 298.456 1.388 10 0 CDAERP CC[NH+]1CCC([C@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001423658305 956921625 /nfs/dbraw/zinc/92/16/25/956921625.db2.gz WDCUPFBEZUNJHO-KGLIPLIRSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@]1(CNC(=O)C[NH+]2CCCC2)CCC[N@H+](CC2CC2)C1 ZINC001423706658 956950330 /nfs/dbraw/zinc/95/03/30/956950330.db2.gz PHUKOCSGTZGKAN-KRWDZBQOSA-N 2 0 293.455 1.711 10 0 CDAERP CC[N@H+](CCNC(=O)CC[NH+](C)C)C[C@H]1CC(C)(C)CO1 ZINC001366628408 957057879 /nfs/dbraw/zinc/05/78/79/957057879.db2.gz AJEFQLJKOHXMEU-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001366691030 957119920 /nfs/dbraw/zinc/11/99/20/957119920.db2.gz SWKAXFARIPGBDK-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1CC[N@H+](CCC(C)C)C1)[NH+](C)C ZINC001316983355 957178473 /nfs/dbraw/zinc/17/84/73/957178473.db2.gz WRCFEYCKWOOKIZ-ZIAGYGMSSA-N 2 0 269.433 1.563 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001316987575 957184202 /nfs/dbraw/zinc/18/42/02/957184202.db2.gz UNEAZHGAVPVYCF-AWFCHZOYSA-N 2 0 293.455 1.875 10 0 CDAERP CC[NH2+]C1(CC)CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001424375003 957219001 /nfs/dbraw/zinc/21/90/01/957219001.db2.gz DVHHPPSMJAWPAE-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@H](C(=O)N1CC[C@H](C[N@H+](C)CCF)C1)[NH+](C)C ZINC001366873546 957240354 /nfs/dbraw/zinc/24/03/54/957240354.db2.gz RXGUWMZUHADWIB-CHWSQXEVSA-N 2 0 273.396 1.076 10 0 CDAERP CCC[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001317193767 957335993 /nfs/dbraw/zinc/33/59/93/957335993.db2.gz UYDHMRYTNOTWRW-HUUCEWRRSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)=CC[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001317221248 957351263 /nfs/dbraw/zinc/35/12/63/957351263.db2.gz CAAHWIDSDRGVMN-QQFBHYJXSA-N 2 0 293.455 1.921 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001367058832 957373669 /nfs/dbraw/zinc/37/36/69/957373669.db2.gz LILKWYJESYIEKR-QWHCGFSZSA-N 2 0 273.396 1.219 10 0 CDAERP CCN(C(=O)C[NH+]1CC[C@@H](C)C1)[C@H]1CC[N@@H+](C(C)C)C1 ZINC001367076166 957386932 /nfs/dbraw/zinc/38/69/32/957386932.db2.gz TZWYURFMLOQTMJ-CABCVRRESA-N 2 0 281.444 1.659 10 0 CDAERP CC(C)OCC[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001425011457 957443719 /nfs/dbraw/zinc/44/37/19/957443719.db2.gz NJCXLTMWWBOSTC-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)Cc1cccnc1 ZINC001425092491 957469279 /nfs/dbraw/zinc/46/92/79/957469279.db2.gz ZTFRPJCZOZDIJP-AWEZNQCLSA-N 2 0 292.427 1.358 10 0 CDAERP CC[N@@H+]1CCC[C@H](C[NH2+]C2[C@@H](C)COC[C@@H]2C)C1 ZINC001332390977 957544369 /nfs/dbraw/zinc/54/43/69/957544369.db2.gz QVHWWFSFOZDVIJ-MELADBBJSA-N 2 0 254.418 1.979 10 0 CDAERP Cc1cccc(C[NH2+][C@H](C)CN(C)C(=O)CC[NH+](C)C)c1 ZINC001425638131 957589654 /nfs/dbraw/zinc/58/96/54/957589654.db2.gz OJJWFUBWNQGTMB-OAHLLOKOSA-N 2 0 291.439 1.883 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)CC[NH2+]C[C@@H]1CCCOC1)[NH+](C)C ZINC001317654114 957625919 /nfs/dbraw/zinc/62/59/19/957625919.db2.gz XYPHLKVAZWVLTG-GJZGRUSLSA-N 2 0 299.459 1.047 10 0 CDAERP CN(C(=O)CC[NH+](C)C)C1CC([NH2+]CCC(C)(C)C)C1 ZINC001426216176 957846250 /nfs/dbraw/zinc/84/62/50/957846250.db2.gz FRWOYNGILYMGCU-UHFFFAOYSA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@@H](C)C[NH+]1CC(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001318155621 957946793 /nfs/dbraw/zinc/94/67/93/957946793.db2.gz RRZARYJOXPQRQX-OCCSQVGLSA-N 2 0 269.433 1.421 10 0 CDAERP CC[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]CC(C)C ZINC001318605807 958196264 /nfs/dbraw/zinc/19/62/64/958196264.db2.gz JXVQHPZPOOGKQP-CYBMUJFWSA-N 2 0 257.422 1.467 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N[C@](C)(C[NH2+]CCCF)C2CC2)C1 ZINC001318727247 958245729 /nfs/dbraw/zinc/24/57/29/958245729.db2.gz KQZRXZGKFLNXEX-SWLSCSKDSA-N 2 0 285.407 1.172 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H](CC[NH2+]CC2CC2)C1 ZINC001318850438 958281012 /nfs/dbraw/zinc/28/10/12/958281012.db2.gz OMSUEBVVHWCVJV-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C[NH2+]C/C=C\Cl ZINC001319245882 958452912 /nfs/dbraw/zinc/45/29/12/958452912.db2.gz PJUOTVSXBWVUMV-UNIPXTFRSA-N 2 0 287.835 1.423 10 0 CDAERP CC(C)C[NH2+]C[C@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001367893951 958458951 /nfs/dbraw/zinc/45/89/51/958458951.db2.gz FNARZXUALWGBPH-HOTGVXAUSA-N 2 0 293.455 1.469 10 0 CDAERP CC(C)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001367893891 958461143 /nfs/dbraw/zinc/46/11/43/958461143.db2.gz FLJSCZMCPRKMIC-JKSUJKDBSA-N 2 0 295.471 2.000 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CC(C)C ZINC001494980814 972361128 /nfs/dbraw/zinc/36/11/28/972361128.db2.gz HWBGUTBEOCZRMT-HUUCEWRRSA-N 2 0 281.444 1.469 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@]1(C)CCC[N@H+](CCF)C1 ZINC001368230242 958718051 /nfs/dbraw/zinc/71/80/51/958718051.db2.gz PYRXVHSYURVNHX-CQSZACIVSA-N 2 0 273.396 1.126 10 0 CDAERP Cc1cncc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001371145915 972388687 /nfs/dbraw/zinc/38/86/87/972388687.db2.gz YJTIGIYVTDULMF-HIFRSBDPSA-N 2 0 290.411 1.079 10 0 CDAERP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1c(C)noc1C ZINC001495049903 972389981 /nfs/dbraw/zinc/38/99/81/972389981.db2.gz MCVSBDBYGGUUBZ-ZDUSSCGKSA-N 2 0 296.415 1.228 10 0 CDAERP CC[C@H](C)C[NH2+][C@@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001368745275 959098174 /nfs/dbraw/zinc/09/81/74/959098174.db2.gz QLXUGTBRXFTDNJ-KBPBESRZSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1ocnc1C)[NH+](C)C ZINC001368743669 959098564 /nfs/dbraw/zinc/09/85/64/959098564.db2.gz NUMGMHUMDOODQJ-WCQYABFASA-N 2 0 296.415 1.308 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1C ZINC001368767392 959115601 /nfs/dbraw/zinc/11/56/01/959115601.db2.gz JRMJDPWESNNKEO-KGLIPLIRSA-N 2 0 281.444 1.706 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]CC1CC1 ZINC001320441326 959176614 /nfs/dbraw/zinc/17/66/14/959176614.db2.gz ZIQYHOTTYMLIAM-DZGCQCFKSA-N 2 0 281.444 1.755 10 0 CDAERP CC[NH2+]CC[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001320477421 959194087 /nfs/dbraw/zinc/19/40/87/959194087.db2.gz WMDOBYFMKGLBDQ-GFCCVEGCSA-N 2 0 253.390 1.119 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CC[C@H]([NH+](C)CC)C1 ZINC001414663020 972409925 /nfs/dbraw/zinc/40/99/25/972409925.db2.gz QUASBJRNCPDCNL-CABCVRRESA-N 2 0 298.475 1.842 10 0 CDAERP Cc1cc(C[N@@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C)cs1 ZINC001368971827 959346850 /nfs/dbraw/zinc/34/68/50/959346850.db2.gz GDFYUACJLNFZJC-GFCCVEGCSA-N 2 0 297.468 1.945 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C1C[NH+](CCCF)C1 ZINC001369092922 959453463 /nfs/dbraw/zinc/45/34/63/959453463.db2.gz KJXSSWYXFSKSSB-LBPRGKRZSA-N 2 0 273.396 1.123 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1[C@H]2C[N@H+](C(C)C)C[C@H]21 ZINC001369130620 959475022 /nfs/dbraw/zinc/47/50/22/959475022.db2.gz JWCCBUXRBJKTGJ-XQLPTFJDSA-N 2 0 299.434 1.369 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@@H]1[C@H]2C[NH+](CC3CCC3)C[C@H]21 ZINC001369153556 959487951 /nfs/dbraw/zinc/48/79/51/959487951.db2.gz FMTBCFOAWMMONR-PHZGNYQRSA-N 2 0 293.455 1.422 10 0 CDAERP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CCC(C)(C)C ZINC001369277921 959602900 /nfs/dbraw/zinc/60/29/00/959602900.db2.gz PNZWAPZQJCISRU-ZDUSSCGKSA-N 2 0 271.449 1.811 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC/C=C/C[NH2+]CC)C1 ZINC001321208932 959658057 /nfs/dbraw/zinc/65/80/57/959658057.db2.gz LXXBYSKUAYLZEV-VBROQKIQSA-N 2 0 267.417 1.390 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]Cc2ccns2)CN1C(=O)CC[NH+](C)C ZINC001369404916 959666749 /nfs/dbraw/zinc/66/67/49/959666749.db2.gz OFMTUFSFATUGCZ-NWDGAFQWSA-N 2 0 296.440 1.174 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1CC1CCC1 ZINC001369425835 959677784 /nfs/dbraw/zinc/67/77/84/959677784.db2.gz LIBYCYBVPKIXRW-HIFRSBDPSA-N 2 0 281.444 1.707 10 0 CDAERP [NH3+]C1(C[NH2+][C@@H]2CCC23CCOCC3)CCOCC1 ZINC001335383579 959759488 /nfs/dbraw/zinc/75/94/88/959759488.db2.gz SYJNYLJMSVFSJX-GFCCVEGCSA-N 2 0 254.374 1.043 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)C1CC[NH+](C(C)C)CC1 ZINC001369567298 959763448 /nfs/dbraw/zinc/76/34/48/959763448.db2.gz AYRIJWSSBKBKBZ-AWEZNQCLSA-N 2 0 283.460 1.953 10 0 CDAERP CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001369979127 959946269 /nfs/dbraw/zinc/94/62/69/959946269.db2.gz TVAMDDRSCQFAFQ-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CC[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001322219516 960137983 /nfs/dbraw/zinc/13/79/83/960137983.db2.gz WNWASONJRQLMQX-GFCCVEGCSA-N 2 0 255.406 1.317 10 0 CDAERP O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+]CC2CC2)C1 ZINC001370727128 960189031 /nfs/dbraw/zinc/18/90/31/960189031.db2.gz FDDXXVWSINCWOY-GASCZTMLSA-N 2 0 279.428 1.509 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001370738180 960192567 /nfs/dbraw/zinc/19/25/67/960192567.db2.gz XAAPCHFKAIBKRQ-KBXIAJHMSA-N 2 0 299.434 1.846 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2CCC3(C[NH+](C)C3)C2)C1 ZINC001433953736 960804863 /nfs/dbraw/zinc/80/48/63/960804863.db2.gz ZPUTXZDYVCTTFG-KGLIPLIRSA-N 2 0 279.428 1.271 10 0 CDAERP CC[C@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CCC1CC1)[NH+](C)C ZINC001418624323 960822795 /nfs/dbraw/zinc/82/27/95/960822795.db2.gz ZBOCEGYTZLGFTE-HUUCEWRRSA-N 2 0 281.444 1.659 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]CCF)C1 ZINC001418726200 960949570 /nfs/dbraw/zinc/94/95/70/960949570.db2.gz STVMWFLRRYBBBC-QWHCGFSZSA-N 2 0 273.396 1.172 10 0 CDAERP CCCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CCOC)C1 ZINC001418865599 961111419 /nfs/dbraw/zinc/11/14/19/961111419.db2.gz GBSXKFAGCOHGEX-CABCVRRESA-N 2 0 297.443 1.040 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H]1CC[NH+](CCF)C1 ZINC001418909527 961153226 /nfs/dbraw/zinc/15/32/26/961153226.db2.gz YOGDALLTXMSBMN-HUUCEWRRSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)CC[NH+]1CC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001419035842 961287885 /nfs/dbraw/zinc/28/78/85/961287885.db2.gz NLTICBVMZFJLGF-AWEZNQCLSA-N 2 0 281.444 1.422 10 0 CDAERP CC[C@H](F)CN1CC(CNC(=O)CCCn2ccnc2)C1 ZINC001419047652 961301863 /nfs/dbraw/zinc/30/18/63/961301863.db2.gz KFDDBYKGRMKYNW-AWEZNQCLSA-N 2 0 296.390 1.459 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001419091108 961358704 /nfs/dbraw/zinc/35/87/04/961358704.db2.gz DEJVKOKBYIQCGP-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](CN1CC[NH+](C2CCC2)CC1)C[NH+]1CCOCC1 ZINC001434458711 961433806 /nfs/dbraw/zinc/43/38/06/961433806.db2.gz RXHNAEAXVXVWKK-OAHLLOKOSA-N 2 0 281.444 1.125 10 0 CDAERP CC[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]C(C)C ZINC001419207657 961504712 /nfs/dbraw/zinc/50/47/12/961504712.db2.gz GABYFHRBDJDPLN-CQSZACIVSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC1CCC1 ZINC001419259652 961560005 /nfs/dbraw/zinc/56/00/05/961560005.db2.gz JUVPOWUYTUMWMZ-CABCVRRESA-N 2 0 281.444 1.613 10 0 CDAERP CCC[N@@H+]1CC[C@H]1CN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001436325092 962179388 /nfs/dbraw/zinc/17/93/88/962179388.db2.gz IHNSGBSPXFLICL-AWEZNQCLSA-N 2 0 297.443 1.040 10 0 CDAERP CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001436332438 962190328 /nfs/dbraw/zinc/19/03/28/962190328.db2.gz ZINLMJIERHJVTF-HUUCEWRRSA-N 2 0 281.444 1.661 10 0 CDAERP CC(C)[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CCF)C1)[NH+](C)C ZINC001436412536 962239268 /nfs/dbraw/zinc/23/92/68/962239268.db2.gz CQJUBRVZTIFAET-BFHYXJOUSA-N 2 0 287.423 1.417 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001436481945 962278454 /nfs/dbraw/zinc/27/84/54/962278454.db2.gz QGSDQWVOPORCSI-MJBXVCDLSA-N 2 0 299.434 1.655 10 0 CDAERP CN(CC[N@H+](C)CCC(C)(C)C)C(=O)[C@H]1CCC[NH+]1C ZINC001419997642 962352418 /nfs/dbraw/zinc/35/24/18/962352418.db2.gz NYGAAWCZTWLGKJ-CQSZACIVSA-N 2 0 283.460 1.907 10 0 CDAERP CO[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001436956417 962525934 /nfs/dbraw/zinc/52/59/34/962525934.db2.gz VJTXWLYFMQODPT-APIJFGDWSA-N 2 0 297.443 1.133 10 0 CDAERP COC[C@H](C)[NH2+]CC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001420219896 962595105 /nfs/dbraw/zinc/59/51/05/962595105.db2.gz DXTOLQRCORLXAD-KGLIPLIRSA-N 2 0 299.459 1.380 10 0 CDAERP C[C@@H](F)CC[NH2+][C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001437196452 962722927 /nfs/dbraw/zinc/72/29/27/962722927.db2.gz HRRJMXPXTMRNRA-NEPJUHHUSA-N 2 0 273.396 1.171 10 0 CDAERP C[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCC(F)(F)F ZINC001437375530 962849286 /nfs/dbraw/zinc/84/92/86/962849286.db2.gz NNBDNFBYXVUFLF-QWRGUYRKSA-N 2 0 295.349 1.517 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH2+]CCF ZINC001438294143 963407756 /nfs/dbraw/zinc/40/77/56/963407756.db2.gz GXCOCRFSXIDUPD-FRRDWIJNSA-N 2 0 273.396 1.171 10 0 CDAERP Cc1cnc(C[NH2+]C[C@H](C)CNC(=O)C[N@H+](C)C(C)C)o1 ZINC001438545550 963481316 /nfs/dbraw/zinc/48/13/16/963481316.db2.gz CDKXEEYWFSJZRG-LBPRGKRZSA-N 2 0 296.415 1.165 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC(C)(C)C ZINC001421212805 963500691 /nfs/dbraw/zinc/50/06/91/963500691.db2.gz BNUQEDVSLBIBJR-KBPBESRZSA-N 2 0 281.444 1.659 10 0 CDAERP C[C@H](C[NH2+]CC1CC(C)(C)C1)N(C)C(=O)C[NH+]1CCCC1 ZINC001438724439 963535873 /nfs/dbraw/zinc/53/58/73/963535873.db2.gz SKQBYKYCINADJI-CQSZACIVSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccns1 ZINC001438833241 963564344 /nfs/dbraw/zinc/56/43/44/963564344.db2.gz VWGSHEMIQAOMDZ-ZDUSSCGKSA-N 2 0 298.456 1.325 10 0 CDAERP CC[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CCF ZINC001421423731 963602055 /nfs/dbraw/zinc/60/20/55/963602055.db2.gz WSEXJHNYCBWYDW-ZDUSSCGKSA-N 2 0 285.407 1.316 10 0 CDAERP C[C@H](C[N@H+](C)CC1CCC1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001439322606 963721892 /nfs/dbraw/zinc/72/18/92/963721892.db2.gz FFKYVZARQTWSES-CJNGLKHVSA-N 2 0 293.455 1.565 10 0 CDAERP C[C@@H](C[N@H+](C)CCC1CC1)NC(=O)[C@H]1CCCC[NH+]1C ZINC001439341113 963729937 /nfs/dbraw/zinc/72/99/37/963729937.db2.gz OXCWZLSTSNWGNT-DZGCQCFKSA-N 2 0 281.444 1.707 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CC[NH+]2CC2CCC2)C1 ZINC001439568638 963803185 /nfs/dbraw/zinc/80/31/85/963803185.db2.gz FHZLKASJLDNBBW-CABCVRRESA-N 2 0 279.428 1.319 10 0 CDAERP CC(C)[C@H](C(=O)NC[C@H]1CC[N@@H+]1CC1CC1)[NH+]1CCCC1 ZINC001439570503 963805368 /nfs/dbraw/zinc/80/53/68/963805368.db2.gz JFIQPCSPSOKHJR-HZPDHXFCSA-N 2 0 293.455 1.707 10 0 CDAERP CC[C@@H](C)C[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001439667711 963835632 /nfs/dbraw/zinc/83/56/32/963835632.db2.gz QZZOVXYDJLCDFG-CYBMUJFWSA-N 2 0 279.428 1.367 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCO[C@@H](C[NH2+]C[C@@H](C)CC)C1 ZINC001440375672 964004590 /nfs/dbraw/zinc/00/45/90/964004590.db2.gz QHLYWBQXKYTSKJ-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[NH2+]C1(C)CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001440602253 964118449 /nfs/dbraw/zinc/11/84/49/964118449.db2.gz KLDQAQJUWQUTQR-UHFFFAOYSA-N 2 0 293.455 1.996 10 0 CDAERP CC(C)CC[N@H+](C)[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001440960431 964291307 /nfs/dbraw/zinc/29/13/07/964291307.db2.gz RZPYOZWATUQDJH-AWEZNQCLSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+](C)CC1CCC1 ZINC001440970286 964302481 /nfs/dbraw/zinc/30/24/81/964302481.db2.gz MYMKMDWVEZVEQG-ZIAGYGMSSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001441311669 964460125 /nfs/dbraw/zinc/46/01/25/964460125.db2.gz FDELLGPAEQKZSA-PHZGNYQRSA-N 2 0 293.455 1.565 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001441371487 964480277 /nfs/dbraw/zinc/48/02/77/964480277.db2.gz SHFFYVLHCWRWLG-AVGNSLFASA-N 2 0 273.396 1.171 10 0 CDAERP C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C[NH+]3CCCC3)o2)C1 ZINC001441959731 964806955 /nfs/dbraw/zinc/80/69/55/964806955.db2.gz YHRPIEWYTNEEDJ-ZDUSSCGKSA-N 2 0 291.395 1.557 10 0 CDAERP CC(C)[N@H+](C)C[C@@H](O)CN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001442044464 964843309 /nfs/dbraw/zinc/84/33/09/964843309.db2.gz CELUUFXDNOQNAQ-HUUCEWRRSA-N 2 0 299.459 1.020 10 0 CDAERP CC(C)N(CC[N@H+](C)C[C@H]1CCOC1)C(=O)CC[NH+](C)C ZINC001442117743 964874080 /nfs/dbraw/zinc/87/40/80/964874080.db2.gz OSAXVGULEWLOSI-OAHLLOKOSA-N 2 0 299.459 1.143 10 0 CDAERP C[C@H](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]C/C=C\Cl ZINC001442263315 964965082 /nfs/dbraw/zinc/96/50/82/964965082.db2.gz YTHPRNWYFZSYEZ-RIDZFXPKSA-N 2 0 299.846 1.565 10 0 CDAERP CC(C)[C@H](C(=O)NCC[N@H+](C)CCC1CC1)[NH+]1CCCC1 ZINC001442620439 965139797 /nfs/dbraw/zinc/13/97/97/965139797.db2.gz NNZIJRUZJBUVAK-MRXNPFEDSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001442852477 965246887 /nfs/dbraw/zinc/24/68/87/965246887.db2.gz XNQKVSGRZITKDI-ZIAGYGMSSA-N 2 0 287.423 1.655 10 0 CDAERP CC(C)CCC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001443568947 965516419 /nfs/dbraw/zinc/51/64/19/965516419.db2.gz HBOKPXGODXBMPI-HNNXBMFYSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC001444513106 965858154 /nfs/dbraw/zinc/85/81/54/965858154.db2.gz WHCZFRAMBPTWII-MGPQQGTHSA-N 2 0 269.433 1.515 10 0 CDAERP CC(C)C[NH2+][C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C(C)C ZINC001444926707 966005145 /nfs/dbraw/zinc/00/51/45/966005145.db2.gz BURPVRFZKIXMGP-CABCVRRESA-N 2 0 283.460 1.715 10 0 CDAERP CC(C)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001445719467 966305630 /nfs/dbraw/zinc/30/56/30/966305630.db2.gz QLWBCLBFRYKFRC-CABCVRRESA-N 2 0 283.460 1.952 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001446548786 966578731 /nfs/dbraw/zinc/57/87/31/966578731.db2.gz BRYHENRTHQNYNL-INIZCTEOSA-N 2 0 283.460 1.953 10 0 CDAERP CC[N@@H+]1CC[C@@](C)(NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001446565321 966584561 /nfs/dbraw/zinc/58/45/61/966584561.db2.gz RTHZUJLFTKVBQW-CVEARBPZSA-N 2 0 299.434 1.799 10 0 CDAERP CC1(CNC(=O)C[NH+]2CCCC2)CC[NH+](CC2CC2)CC1 ZINC001446658777 966608133 /nfs/dbraw/zinc/60/81/33/966608133.db2.gz HNYUBZCABKAMNH-UHFFFAOYSA-N 2 0 293.455 1.711 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001446975829 966672262 /nfs/dbraw/zinc/67/22/62/966672262.db2.gz VXYGZFLWKRWNBV-GJZGRUSLSA-N 2 0 295.471 1.668 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC2CC(C[NH2+]CC(C)C)C2)CC[N@@H+]1C ZINC001447795555 966878988 /nfs/dbraw/zinc/87/89/88/966878988.db2.gz UUXSLIXBMWVEJI-SSHXOBKSSA-N 2 0 295.471 1.857 10 0 CDAERP CC[C@H](C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001448424358 967107633 /nfs/dbraw/zinc/10/76/33/967107633.db2.gz BEZIGPHYDBCITH-ZQDZILKHSA-N 2 0 281.444 1.278 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001448516014 967131245 /nfs/dbraw/zinc/13/12/45/967131245.db2.gz ILQGPNHZPYVEEX-MGPQQGTHSA-N 2 0 285.407 1.315 10 0 CDAERP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]CC1CCCC1 ZINC001448785166 967255428 /nfs/dbraw/zinc/25/54/28/967255428.db2.gz NFZYFEHRWHJQLW-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@H](C(=O)N[C@H](C[NH2+]CC1CC1)C(C)(C)C)[NH+](C)C ZINC001449310956 967428788 /nfs/dbraw/zinc/42/87/88/967428788.db2.gz REZWMKAIWYKVIZ-ZIAGYGMSSA-N 2 0 283.460 1.857 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC001450483203 967726174 /nfs/dbraw/zinc/72/61/74/967726174.db2.gz DXHNJFSJXTXSDS-RWMBFGLXSA-N 2 0 255.406 1.125 10 0 CDAERP C[C@@H]1C[C@H]1C(N)=NOCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000848521933 969147982 /nfs/dbraw/zinc/14/79/82/969147982.db2.gz UWNZEPLHCNKWTA-WISYIIOYSA-N 2 0 253.346 1.004 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cccnc2-n2ccnc2)C1 ZINC000848715377 969254672 /nfs/dbraw/zinc/25/46/72/969254672.db2.gz XLPDJOAXFUILAT-ZIAGYGMSSA-N 2 0 271.368 1.627 10 0 CDAERP [NH2+]=C(NCCc1cccs1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000848992746 969385790 /nfs/dbraw/zinc/38/57/90/969385790.db2.gz RTCBVZUWXHLTRC-GFCCVEGCSA-N 2 0 292.452 1.889 10 0 CDAERP [NH2+]=C(NC[C@H]1CCC[N@H+]1CCCO)NC1CCCCC1 ZINC000849034484 969421151 /nfs/dbraw/zinc/42/11/51/969421151.db2.gz WFIKSXFMKHGITC-CQSZACIVSA-N 2 0 282.432 1.280 10 0 CDAERP C[NH+](C)CCN1CC[N@H+](C[C@@H]2CC3CCC2CC3)CC1=O ZINC001460340766 969499314 /nfs/dbraw/zinc/49/93/14/969499314.db2.gz UEZUSHDNJYXHQG-GPANFISMSA-N 2 0 293.455 1.519 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)OC1CCC1 ZINC000849424335 969948527 /nfs/dbraw/zinc/94/85/27/969948527.db2.gz YAARTFBBPHLGFC-LBPRGKRZSA-N 2 0 271.405 1.537 10 0 CDAERP CC[NH+](CC)CCSCC(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC001468240985 970138819 /nfs/dbraw/zinc/13/88/19/970138819.db2.gz BKRJAIFLRWYQHU-KGLIPLIRSA-N 2 0 299.484 1.224 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001361548658 970282748 /nfs/dbraw/zinc/28/27/48/970282748.db2.gz QLMFCNKEXSZPPY-YCPHGPKFSA-N 2 0 279.428 1.269 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccsc2)C1 ZINC001371531065 972543919 /nfs/dbraw/zinc/54/39/19/972543919.db2.gz ORVBRBZMFNCNHB-ZDUSSCGKSA-N 2 0 281.425 1.390 10 0 CDAERP C[C@H](C(=O)NC[C@H](C)C[NH2+]CCF)[NH+]1CCCCCC1 ZINC001495756100 972621871 /nfs/dbraw/zinc/62/18/71/972621871.db2.gz YYHOEKCDHLJGPR-ZIAGYGMSSA-N 2 0 287.423 1.562 10 0 CDAERP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cncs1 ZINC001371885756 972670255 /nfs/dbraw/zinc/67/02/55/972670255.db2.gz XRXUDRCLUIYGPZ-VXGBXAGGSA-N 2 0 296.440 1.079 10 0 CDAERP CC[N@H+](CCNC(=O)C[NH+]1CCCC1)CC[C@@H]1CCCO1 ZINC001372477865 972969480 /nfs/dbraw/zinc/96/94/80/972969480.db2.gz SLMUQXUPKYQVQB-HNNXBMFYSA-N 2 0 297.443 1.089 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@]1(C)CC[NH+](C(C)C)C1 ZINC001569655842 1169956654 /nfs/dbraw/zinc/95/66/54/1169956654.db2.gz XODIIPZFRQHOIA-AWEZNQCLSA-N 2 0 255.406 1.316 10 0 CDAERP C[NH+](C)C1(CNC(=O)CC[N@@H+]2CC[C@@H](F)C2)CCCC1 ZINC001417611906 973194410 /nfs/dbraw/zinc/19/44/10/973194410.db2.gz SCQSIAOFRBERRR-CYBMUJFWSA-N 2 0 285.407 1.411 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001417651350 973241012 /nfs/dbraw/zinc/24/10/12/973241012.db2.gz NZMUWBCURLLCMM-ZDUSSCGKSA-N 2 0 273.396 1.221 10 0 CDAERP C[C@@H](CC[NH2+]Cc1cncs1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001497240781 973258003 /nfs/dbraw/zinc/25/80/03/973258003.db2.gz IHSKPPHWZKSONR-WCQYABFASA-N 2 0 296.440 1.222 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CCCC1CCC1 ZINC001497549271 973402992 /nfs/dbraw/zinc/40/29/92/973402992.db2.gz OGAPHBQSWDAXQJ-KZSQQDEKSA-N 2 0 293.455 1.923 10 0 CDAERP CC(C)[NH2+]C/C=C/CNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001497612762 973434490 /nfs/dbraw/zinc/43/44/90/973434490.db2.gz WVRQXTRUQPARGD-YJQVQVLHSA-N 2 0 279.428 1.674 10 0 CDAERP CC[C@H](F)C[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001497651282 973449485 /nfs/dbraw/zinc/44/94/85/973449485.db2.gz WAENSCCPFKHPJH-OEFFGFFESA-N 2 0 271.380 1.091 10 0 CDAERP CC(C)CC[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001497750139 973487580 /nfs/dbraw/zinc/48/75/80/973487580.db2.gz PQSRHPJVGBWUJA-WSNITJDQSA-N 2 0 267.417 1.246 10 0 CDAERP O=C(CC[NH+]1CCCCC1)NC/C=C/C[NH2+]CCF ZINC001497766275 973489243 /nfs/dbraw/zinc/48/92/43/973489243.db2.gz USRYQYBFXLDIAL-NSCUHMNNSA-N 2 0 271.380 1.094 10 0 CDAERP CC[C@H](C(=O)N(C)[C@H]1CC[N@H+](CCC(C)C)C1)[NH+](C)C ZINC001373691043 973569803 /nfs/dbraw/zinc/56/98/03/973569803.db2.gz ROLBRFDPUCVPDW-LSDHHAIUSA-N 2 0 283.460 1.905 10 0 CDAERP CC[C@@H](C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1)OC ZINC001418097613 973583363 /nfs/dbraw/zinc/58/33/63/973583363.db2.gz OXXGHRUBWGTODN-XGUBFFRZSA-N 2 0 297.443 1.133 10 0 CDAERP C[C@H](C[NH2+]Cc1ccccn1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001497962606 973591058 /nfs/dbraw/zinc/59/10/58/973591058.db2.gz JWWGRYBBZSUBLK-KGLIPLIRSA-N 2 0 290.411 1.018 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC[C@@H](C)F)C[C@H]21)[NH+](C)C ZINC001418180063 973627969 /nfs/dbraw/zinc/62/79/69/973627969.db2.gz TZKBYUDMYGEWMD-MRLBHPIUSA-N 2 0 299.434 1.367 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+]Cc1ccc(F)cn1 ZINC001374078307 973766535 /nfs/dbraw/zinc/76/65/35/973766535.db2.gz UUWUIRQQSJVTSJ-GFCCVEGCSA-N 2 0 296.390 1.014 10 0 CDAERP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+]Cc1nccs1 ZINC001418424056 973816446 /nfs/dbraw/zinc/81/64/46/973816446.db2.gz VBLBINZQTRNUPG-LLVKDONJSA-N 2 0 284.429 1.079 10 0 CDAERP CC(C)C[C@@H](C)C[N@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001418512596 973917752 /nfs/dbraw/zinc/91/77/52/973917752.db2.gz QDGNNYMBRRZAHZ-OAHLLOKOSA-N 2 0 295.471 1.812 10 0 CDAERP CC[NH2+]CCCN(C)C(=O)c1ccccc1CC[NH+](C)C ZINC001498585898 973990937 /nfs/dbraw/zinc/99/09/37/973990937.db2.gz ISOREDDDJYFCNT-UHFFFAOYSA-N 2 0 291.439 1.862 10 0 CDAERP Cc1csc(C[NH2+]CCCN(C)C(=O)CC[NH+](C)C)n1 ZINC001498606801 973996311 /nfs/dbraw/zinc/99/63/11/973996311.db2.gz NBOPYPJFMCWJRW-UHFFFAOYSA-N 2 0 298.456 1.341 10 0 CDAERP CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001499066161 974177524 /nfs/dbraw/zinc/17/75/24/974177524.db2.gz DLNVZTYGSKBBFK-XJKSGUPXSA-N 2 0 299.434 1.799 10 0 CDAERP CCC[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001499311290 974233779 /nfs/dbraw/zinc/23/37/79/974233779.db2.gz AUYYRLZZZLWDBZ-UHFFFAOYSA-N 2 0 267.417 1.509 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CC[NH+](C)[C@@H](C)[C@@H]2C)CC[N@@H+]1C ZINC001546269461 974253553 /nfs/dbraw/zinc/25/35/53/974253553.db2.gz UWJSCTLOXVVIMA-XUXIUFHCSA-N 2 0 267.417 1.268 10 0 CDAERP CCOCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001499458607 974256611 /nfs/dbraw/zinc/25/66/11/974256611.db2.gz IVHBTYCTCQKJON-CQSZACIVSA-N 2 0 297.443 1.136 10 0 CDAERP CC[NH+]1CCC2(CCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001499585601 974271064 /nfs/dbraw/zinc/27/10/64/974271064.db2.gz XAQVFEDMUNPFLZ-UHFFFAOYSA-N 2 0 267.417 1.273 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CCCC1 ZINC001500097420 974373059 /nfs/dbraw/zinc/37/30/59/974373059.db2.gz UXLUGGSSWCLHOG-HUUCEWRRSA-N 2 0 281.444 1.755 10 0 CDAERP Cc1nc(C[NH2+][C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)cs1 ZINC001376386295 974649061 /nfs/dbraw/zinc/64/90/61/974649061.db2.gz FEWQSFBYIUOSFG-HAQNSBGRSA-N 2 0 296.440 1.140 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001376559893 974687087 /nfs/dbraw/zinc/68/70/87/974687087.db2.gz RSVZEMFCCGJXRL-HNNXBMFYSA-N 2 0 293.455 1.566 10 0 CDAERP Cc1nc(CC[NH2+][C@H](C)CNC(=O)CC[NH+](C)C)cs1 ZINC001376808858 974779062 /nfs/dbraw/zinc/77/90/62/974779062.db2.gz JPEQKXDRMZKSKK-LLVKDONJSA-N 2 0 298.456 1.040 10 0 CDAERP CC(C)CC[NH2+][C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001376827507 974785438 /nfs/dbraw/zinc/78/54/38/974785438.db2.gz RNXPGBQTDANALG-CQSZACIVSA-N 2 0 283.460 1.859 10 0 CDAERP CCC[NH2+]C1(C)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001502805405 974787451 /nfs/dbraw/zinc/78/74/51/974787451.db2.gz FWUQKRWTRIXULF-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001377456739 975035032 /nfs/dbraw/zinc/03/50/32/975035032.db2.gz BOUMRZMAYFIOGI-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP C[NH+](C)CCC(=O)NC1C[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC001377923424 975176614 /nfs/dbraw/zinc/17/66/14/975176614.db2.gz YWVCJQWBGKRXAR-HZSPNIEDSA-N 2 0 279.428 1.175 10 0 CDAERP C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[N@H+](C)CCCO ZINC001378151133 975261903 /nfs/dbraw/zinc/26/19/03/975261903.db2.gz HWCIQUSJDILYFV-GJZGRUSLSA-N 2 0 299.459 1.070 10 0 CDAERP C[C@H](F)CC[N@H+](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001506961452 975276761 /nfs/dbraw/zinc/27/67/61/975276761.db2.gz QVVOILHVVKQDMZ-ZDUSSCGKSA-N 2 0 287.423 1.609 10 0 CDAERP COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001378653283 975428504 /nfs/dbraw/zinc/42/85/04/975428504.db2.gz KGLUFYVHYHSSIO-ZIAGYGMSSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)C[NH2+]C[C@@](C)(NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001401023441 975437697 /nfs/dbraw/zinc/43/76/97/975437697.db2.gz KDJUCQWULJUARO-RHSMWYFYSA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)c1cnc[nH]1 ZINC001397056221 975450716 /nfs/dbraw/zinc/45/07/16/975450716.db2.gz WNEMIKSROYYJMM-CYBMUJFWSA-N 2 0 292.427 1.876 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](CCC(C)C)C1 ZINC001404712292 975465949 /nfs/dbraw/zinc/46/59/49/975465949.db2.gz QLLOBTSFGSPNAC-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)C[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001507442763 975472791 /nfs/dbraw/zinc/47/27/91/975472791.db2.gz JOOIUSQPKQGFSU-ZDUSSCGKSA-N 2 0 269.433 1.421 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H](C)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001378770749 975486920 /nfs/dbraw/zinc/48/69/20/975486920.db2.gz BJMUEQDRYICGKA-STQMWFEESA-N 2 0 287.423 1.655 10 0 CDAERP CCC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001397215079 975499856 /nfs/dbraw/zinc/49/98/56/975499856.db2.gz LZXZIOIVWUYFFQ-HUUCEWRRSA-N 2 0 299.459 1.022 10 0 CDAERP CC(C)[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001507628301 975518141 /nfs/dbraw/zinc/51/81/41/975518141.db2.gz SEQPBSRGJHVGRL-HUUCEWRRSA-N 2 0 299.459 1.019 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001378867518 975522208 /nfs/dbraw/zinc/52/22/08/975522208.db2.gz GIDKYXNHWVBVJQ-KKUMJFAQSA-N 2 0 293.455 1.613 10 0 CDAERP C[C@@H](C[NH2+]CC1CCCC1)N(C)C(=O)CCC[NH+](C)C ZINC001401235262 975538386 /nfs/dbraw/zinc/53/83/86/975538386.db2.gz DORTUZKGTDZOEW-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H](F)CC[NH+]1CC(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001404926002 975544971 /nfs/dbraw/zinc/54/49/71/975544971.db2.gz FRRKMXUBAUIQEL-AWEZNQCLSA-N 2 0 299.434 1.514 10 0 CDAERP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC1CC1 ZINC001401324018 975589106 /nfs/dbraw/zinc/58/91/06/975589106.db2.gz OHLURQCCSCTYTA-YUELXQCFSA-N 2 0 281.444 1.467 10 0 CDAERP CC[C@H](F)CN(C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001379122806 975676140 /nfs/dbraw/zinc/67/61/40/975676140.db2.gz ACORTWSOJGBMTB-ZDUSSCGKSA-N 2 0 285.407 1.221 10 0 CDAERP CC(C)[NH2+]CC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001401606584 975727967 /nfs/dbraw/zinc/72/79/67/975727967.db2.gz QRXGISNZCYJHTL-CABCVRRESA-N 2 0 283.460 2.000 10 0 CDAERP C[C@H](C[NH2+]Cc1ccsc1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001401653911 975765205 /nfs/dbraw/zinc/76/52/05/975765205.db2.gz RUSYUGLVFBXAIG-CHWSQXEVSA-N 2 0 295.452 1.684 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1cncs1)[NH+](C)C ZINC001401659996 975770822 /nfs/dbraw/zinc/77/08/22/975770822.db2.gz RENTVGDOAOUABF-YPMHNXCESA-N 2 0 298.456 1.324 10 0 CDAERP CC(C)OCC[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001401777836 975904819 /nfs/dbraw/zinc/90/48/19/975904819.db2.gz KRHBXXXBWSWFSD-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP Cc1ccc(F)c(C[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C)c1 ZINC001379553422 975923037 /nfs/dbraw/zinc/92/30/37/975923037.db2.gz SHVMIYBEMFYSDL-ZDUSSCGKSA-N 2 0 295.402 1.680 10 0 CDAERP CC(C)CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001379590094 975939180 /nfs/dbraw/zinc/93/91/80/975939180.db2.gz DUQQTXIUDUYYAM-GDBMZVCRSA-N 2 0 295.471 1.953 10 0 CDAERP CC1CC(C[NH2+][C@H](CNC(=O)CC[NH+](C)C)C2CC2)C1 ZINC001398435643 975982467 /nfs/dbraw/zinc/98/24/67/975982467.db2.gz NZLGFTZTFDGIPA-SSDMNJCBSA-N 2 0 281.444 1.469 10 0 CDAERP CC[NH2+][C@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001398458563 975993629 /nfs/dbraw/zinc/99/36/29/975993629.db2.gz ZFOFYBFGCUPGLL-CABCVRRESA-N 2 0 281.444 1.611 10 0 CDAERP CO[C@H](C)C[N@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001379729931 976034840 /nfs/dbraw/zinc/03/48/40/976034840.db2.gz LURSVRXFPXWXQZ-UONOGXRCSA-N 2 0 299.459 1.332 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccns2)C1)[NH+](C)C ZINC001390007005 976080433 /nfs/dbraw/zinc/08/04/33/976080433.db2.gz FPMVGFWVBFTZET-NTZNESFSSA-N 2 0 296.440 1.220 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH+](C)C[C@H]1CCCCO1 ZINC001406179180 976082939 /nfs/dbraw/zinc/08/29/39/976082939.db2.gz VVJSTIHPDFOYDF-OAHLLOKOSA-N 2 0 299.459 1.286 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001402082995 976116899 /nfs/dbraw/zinc/11/68/99/976116899.db2.gz CWLYIWVPUXUCAR-HUUCEWRRSA-N 2 0 295.471 1.955 10 0 CDAERP CCC(CC)C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001380024562 976193355 /nfs/dbraw/zinc/19/33/55/976193355.db2.gz MIIPPYDWXPAAPZ-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP CC[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C(F)(F)F ZINC001380146316 976262011 /nfs/dbraw/zinc/26/20/11/976262011.db2.gz FAQDFONXSJCNBF-QWRGUYRKSA-N 2 0 295.349 1.327 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)C1CC([NH2+]CC[C@H](C)F)C1 ZINC001380180633 976280748 /nfs/dbraw/zinc/28/07/48/976280748.db2.gz ZYVYWTYRYDQWIT-HSBZDZAISA-N 2 0 287.423 1.655 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCOC ZINC001380202453 976286061 /nfs/dbraw/zinc/28/60/61/976286061.db2.gz SHCVSJGXFFZHHG-GASCZTMLSA-N 2 0 297.443 1.040 10 0 CDAERP CC[NH+]1CCC2(CCN(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001380199354 976287284 /nfs/dbraw/zinc/28/72/84/976287284.db2.gz ALKSIWNMNWOFME-UHFFFAOYSA-N 2 0 281.444 1.661 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001402587002 976380540 /nfs/dbraw/zinc/38/05/40/976380540.db2.gz AEBIAPPRQHJRCH-SBJFKYEJSA-N 2 0 299.434 1.702 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCCC3)C2)CC1 ZINC001402607216 976393020 /nfs/dbraw/zinc/39/30/20/976393020.db2.gz IMFMOUZPUBGOCT-GASCZTMLSA-N 2 0 293.455 1.755 10 0 CDAERP C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccn1 ZINC001390717623 976451259 /nfs/dbraw/zinc/45/12/59/976451259.db2.gz GENBGDFOFAECDO-KBPBESRZSA-N 2 0 290.411 1.018 10 0 CDAERP CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001407015708 976512524 /nfs/dbraw/zinc/51/25/24/976512524.db2.gz YXLAVVOBVZBHSY-MRXNPFEDSA-N 2 0 295.471 1.909 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CC[C@@H](C)F ZINC001399826631 976692845 /nfs/dbraw/zinc/69/28/45/976692845.db2.gz MLSBJEGCOICVFT-CHWSQXEVSA-N 2 0 273.396 1.124 10 0 CDAERP CC[C@H](C)C[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001399895977 976727657 /nfs/dbraw/zinc/72/76/57/976727657.db2.gz KUPYIZNNJXOXSP-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001381318590 976758250 /nfs/dbraw/zinc/75/82/50/976758250.db2.gz NXVOLATXPNSIHR-LSDHHAIUSA-N 2 0 281.444 1.517 10 0 CDAERP COCC[N@H+](C)CCCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001407912400 976830716 /nfs/dbraw/zinc/83/07/16/976830716.db2.gz BZUHPHPPZZQPDB-UHFFFAOYSA-N 2 0 299.459 1.288 10 0 CDAERP CCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]1CC[N@H+](CCCO)C1 ZINC001400133604 976878150 /nfs/dbraw/zinc/87/81/50/976878150.db2.gz AZFRECCERCHVRR-HUUCEWRRSA-N 2 0 299.459 1.022 10 0 CDAERP CO[C@@H](C)C[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001381560184 976913537 /nfs/dbraw/zinc/91/35/37/976913537.db2.gz PDAKQADJMMJRLA-KBPBESRZSA-N 2 0 299.459 1.332 10 0 CDAERP CC[C@H](C)C[NH2+]C1(C)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001408119656 976927201 /nfs/dbraw/zinc/92/72/01/976927201.db2.gz MVPFAASMNVXOGY-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP CCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001400229792 976942865 /nfs/dbraw/zinc/94/28/65/976942865.db2.gz OYVBPNMHFAUBGV-HUUCEWRRSA-N 2 0 283.460 1.907 10 0 CDAERP CC(C)C[NH2+][C@@H](C)[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CCO1 ZINC001403425679 976947565 /nfs/dbraw/zinc/94/75/65/976947565.db2.gz UMVPZVSAFLEYFH-GJZGRUSLSA-N 2 0 299.459 1.188 10 0 CDAERP C[C@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1ccon1 ZINC001403446910 976960642 /nfs/dbraw/zinc/96/06/42/976960642.db2.gz QHJHYUSTKZJLQN-QWHCGFSZSA-N 2 0 294.399 1.001 10 0 CDAERP CCC[N@@H+]1CC[C@H](N(C)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001391617208 976994366 /nfs/dbraw/zinc/99/43/66/976994366.db2.gz MTKJGXPONPWQOX-GJZGRUSLSA-N 2 0 281.444 1.804 10 0 CDAERP CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001403503994 977001205 /nfs/dbraw/zinc/00/12/05/977001205.db2.gz SLYBMRYFXKWAQX-HUUCEWRRSA-N 2 0 279.428 1.175 10 0 CDAERP CC[N@@H+]1C[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001381856296 977055404 /nfs/dbraw/zinc/05/54/04/977055404.db2.gz UYHUHXKQTXLREK-KGLIPLIRSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001391957353 977161081 /nfs/dbraw/zinc/16/10/81/977161081.db2.gz MVRCWNKGEPZDNA-ZBFHGGJFSA-N 2 0 281.444 1.470 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@]12CCC[C@@H]1[N@H+](CC1CC1)CC2 ZINC001403830499 977221753 /nfs/dbraw/zinc/22/17/53/977221753.db2.gz VHJWOXLESPZENJ-GOEBONIOSA-N 2 0 279.428 1.461 10 0 CDAERP CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001404008468 977305364 /nfs/dbraw/zinc/30/53/64/977305364.db2.gz OATHQIREBCNPAE-DZGCQCFKSA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C[N@H+](C)CCC(C)C)[NH+](C)C ZINC001392716937 977569535 /nfs/dbraw/zinc/56/95/35/977569535.db2.gz HMPOOEWIDOCYKQ-ZIAGYGMSSA-N 2 0 271.449 1.809 10 0 CDAERP CC(C)CC[N@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001393644110 977879688 /nfs/dbraw/zinc/87/96/88/977879688.db2.gz KUXIQICMXZWACT-HNNXBMFYSA-N 2 0 283.460 1.765 10 0 CDAERP CC[NH2+][C@H](C)[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001393984350 977994758 /nfs/dbraw/zinc/99/47/58/977994758.db2.gz CVMWOAQDRTZIBU-CHWSQXEVSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[N@H+](C)CC1CCCC1 ZINC001394101753 978066104 /nfs/dbraw/zinc/06/61/04/978066104.db2.gz IXBYCMCAZCRBMS-AWEZNQCLSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CCC(F)(F)F ZINC001394518963 978190940 /nfs/dbraw/zinc/19/09/40/978190940.db2.gz LQANGLVSWVVKIM-SNVBAGLBSA-N 2 0 283.338 1.327 10 0 CDAERP COCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001674152887 1173918799 /nfs/dbraw/zinc/91/87/99/1173918799.db2.gz CWWDCWXZULQFEM-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CCCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001676586441 1174242859 /nfs/dbraw/zinc/24/28/59/1174242859.db2.gz BWVULWXWPKHJDO-HUUCEWRRSA-N 2 0 299.459 1.116 10 0 CDAERP CC(C)C[NH2+]CC[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001570022133 1170061104 /nfs/dbraw/zinc/06/11/04/1170061104.db2.gz OKCRCIGUPMASDB-OAHLLOKOSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NCC[N@@H+]1CCCC1(C)C ZINC001570277885 1170125200 /nfs/dbraw/zinc/12/52/00/1170125200.db2.gz ZJDOLKXIVSNGGG-CYBMUJFWSA-N 2 0 269.433 1.565 10 0 CDAERP CCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001570712479 1170247282 /nfs/dbraw/zinc/24/72/82/1170247282.db2.gz LUTJABRVTWCPNV-HZSPNIEDSA-N 2 0 269.433 1.563 10 0 CDAERP CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001571590898 1170484919 /nfs/dbraw/zinc/48/49/19/1170484919.db2.gz CHUUUNRQPDKHFZ-CABCVRRESA-N 2 0 299.459 1.068 10 0 CDAERP [NH3+]CC1(CC[NH2+]Cc2cn3cccc(F)c3n2)CC1 ZINC000650712319 398154638 /nfs/dbraw/zinc/15/46/38/398154638.db2.gz AEBCPVOMBWTFGX-UHFFFAOYSA-N 2 0 262.332 1.692 10 0 CDAERP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1cccc(S(N)(=O)=O)c1 ZINC000650746204 398173728 /nfs/dbraw/zinc/17/37/28/398173728.db2.gz YCCYHZGGHWWSPQ-LLVKDONJSA-N 2 0 297.424 1.114 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@H](C)CC[NH+](C)C ZINC000650781066 398200268 /nfs/dbraw/zinc/20/02/68/398200268.db2.gz ONDARGPTGIPQDR-CQSZACIVSA-N 2 0 286.464 1.604 10 0 CDAERP CN(CC[C@H]1CCCC[N@@H+]1C)C[C@H](O)CC1(O)CCC1 ZINC000625188977 342039282 /nfs/dbraw/zinc/03/92/82/342039282.db2.gz IHEUKONUICTDGP-HUUCEWRRSA-N 2 0 284.444 1.459 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccccc1CC[NH3+] ZINC000092629808 342061028 /nfs/dbraw/zinc/06/10/28/342061028.db2.gz XDVQFRJADKHYLN-HNNXBMFYSA-N 2 0 289.423 1.744 10 0 CDAERP CC[NH+]1CCC(C[NH2+]Cc2cc(C(=O)OC)co2)CC1 ZINC000130773587 342068360 /nfs/dbraw/zinc/06/83/60/342068360.db2.gz WJFCLIAITVTLJT-UHFFFAOYSA-N 2 0 280.368 1.888 10 0 CDAERP C[NH+](C)CCCCC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000591101971 342617987 /nfs/dbraw/zinc/61/79/87/342617987.db2.gz ZKHSEMJVQJUGAL-UHFFFAOYSA-N 2 0 287.367 1.938 10 0 CDAERP C[C@H](CC1CCOCC1)[NH2+]CC1([NH3+])CCOCC1 ZINC000629387373 361898515 /nfs/dbraw/zinc/89/85/15/361898515.db2.gz FVCABMWYIBOCBI-GFCCVEGCSA-N 2 0 256.390 1.289 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000599308975 344002768 /nfs/dbraw/zinc/00/27/68/344002768.db2.gz HGDSSWKOECOQLS-ZDUSSCGKSA-N 2 0 253.390 1.023 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCN(C)c1ccccc1 ZINC000422810506 536595186 /nfs/dbraw/zinc/59/51/86/536595186.db2.gz NHXQIDSOJQOASU-CQSZACIVSA-N 2 0 265.401 1.466 10 0 CDAERP COCC[N@H+](C)CCC[NH2+][C@@H]1CC[C@H](C)SC1 ZINC000655688698 539062632 /nfs/dbraw/zinc/06/26/32/539062632.db2.gz BCLRYFPNWOONKK-QWHCGFSZSA-N 2 0 260.447 1.828 10 0 CDAERP CCN(C(=O)CC[C@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](C)C1 ZINC000622138020 342253352 /nfs/dbraw/zinc/25/33/52/342253352.db2.gz CMMWCVPYMCYBJN-HUUCEWRRSA-N 2 0 281.444 1.804 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000186392504 539147781 /nfs/dbraw/zinc/14/77/81/539147781.db2.gz CNBJCTMIANDLLY-KBPBESRZSA-N 2 0 284.448 1.452 10 0 CDAERP C[C@@H](C[NH2+][C@@H](C)CSCCF)CN1CC[NH+](C)CC1 ZINC000595009887 342989727 /nfs/dbraw/zinc/98/97/27/342989727.db2.gz DVDJZCONBZHQMY-KBPBESRZSA-N 2 0 291.480 1.551 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000594940511 342978660 /nfs/dbraw/zinc/97/86/60/342978660.db2.gz ZHRHSZLHQZLGHU-KCPJHIHWSA-N 2 0 280.412 1.648 10 0 CDAERP C[NH+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CCC[NH2+]C1 ZINC000405055917 349779422 /nfs/dbraw/zinc/77/94/22/349779422.db2.gz YGMSDKWVFBHWEH-ZIAGYGMSSA-N 2 0 267.417 1.319 10 0 CDAERP Cn1ncc(C(F)(F)F)c1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000629511840 362122901 /nfs/dbraw/zinc/12/29/01/362122901.db2.gz BGGNYJWJVFOKJZ-IUCAKERBSA-N 2 0 276.306 1.798 10 0 CDAERP COC(=O)[C@H]1C[C@@H]([N@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000595904677 343188034 /nfs/dbraw/zinc/18/80/34/343188034.db2.gz KNMQJWVCVTZHBX-FZNQNYSPSA-N 2 0 288.391 1.716 10 0 CDAERP Cc1ccc(C[N@@H+]2C[C@H](CO)C3(C2)CC[NH2+]CC3)s1 ZINC000169789460 362141815 /nfs/dbraw/zinc/14/18/15/362141815.db2.gz MFOPPQNOJDGWNA-CYBMUJFWSA-N 2 0 280.437 1.850 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](COC)c1ccc(F)c(F)c1 ZINC000629529721 362155926 /nfs/dbraw/zinc/15/59/26/362155926.db2.gz LQQSNJJIXOBQSP-CQSZACIVSA-N 2 0 288.338 1.478 10 0 CDAERP O[C@H](CC[NH2+]C1CCN(Cc2ccccn2)CC1)C(F)F ZINC000631215973 362172091 /nfs/dbraw/zinc/17/20/91/362172091.db2.gz IIOXXRDOVJBHIN-CQSZACIVSA-N 2 0 299.365 1.652 10 0 CDAERP C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@H]3C[NH2+]C[C@@H]3O)CC2)C1 ZINC000263213541 362270452 /nfs/dbraw/zinc/27/04/52/362270452.db2.gz KNAVRFHGILBMKP-JHNDHUHGSA-N 2 0 295.471 1.199 10 0 CDAERP C[C@H]1[NH2+]CC[C@H]1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000252615942 344074442 /nfs/dbraw/zinc/07/44/42/344074442.db2.gz ZJIWVVXFVUTTSJ-RKFYDKJMSA-N 2 0 265.401 1.116 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@@H]([NH3+])CCSC)CC1 ZINC000602603904 344489886 /nfs/dbraw/zinc/48/98/86/344489886.db2.gz VXFDMOVEMVASHH-LBPRGKRZSA-N 2 0 287.473 1.400 10 0 CDAERP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000262669302 344697367 /nfs/dbraw/zinc/69/73/67/344697367.db2.gz MFPAQNHHZFBUOL-MJBXVCDLSA-N 2 0 267.417 1.447 10 0 CDAERP C[NH+](C)C1CCN(C(=O)CC2([NH3+])CCCCC2)CC1 ZINC000084164717 178811373 /nfs/dbraw/zinc/81/13/73/178811373.db2.gz UBQFDZNEOOKEIN-UHFFFAOYSA-N 2 0 267.417 1.591 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC000617415121 345514674 /nfs/dbraw/zinc/51/46/74/345514674.db2.gz YCMHMULZRZNKOQ-CQSZACIVSA-N 2 0 284.363 1.696 10 0 CDAERP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCCCO1)N1CC[NH+](C)CC1 ZINC000623888885 345623288 /nfs/dbraw/zinc/62/32/88/345623288.db2.gz XOLQIAFBJRGEQI-KKUMJFAQSA-N 2 0 269.433 1.170 10 0 CDAERP CCN(C(=O)[C@H]1CCc2cnc(C)n2C1)[C@@H]1CC[N@H+](C)C1 ZINC000617551691 345845506 /nfs/dbraw/zinc/84/55/06/345845506.db2.gz XELCVNNGIXCIDW-DZGCQCFKSA-N 2 0 290.411 1.307 10 0 CDAERP CCN(C(=O)[C@H](C)[NH2+]C(C)(C)CC)[C@H]1CC[N@H+](C)C1 ZINC000617552847 345847384 /nfs/dbraw/zinc/84/73/84/345847384.db2.gz WIMUOMSOBDOPSE-STQMWFEESA-N 2 0 269.433 1.706 10 0 CDAERP COCC[N@H+](CCCC[C@@](C)(O)C[NH3+])CC(C)C ZINC000085300787 179010657 /nfs/dbraw/zinc/01/06/57/179010657.db2.gz LORIHPTXCZYKDV-CQSZACIVSA-N 2 0 260.422 1.471 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000085369465 179039208 /nfs/dbraw/zinc/03/92/08/179039208.db2.gz PSEYKRZEVRUBJH-GJZGRUSLSA-N 2 0 281.444 1.694 10 0 CDAERP [NH3+][C@H]1COC[C@H]1C[NH2+]Cc1ccc(Br)s1 ZINC000085376313 179044513 /nfs/dbraw/zinc/04/45/13/179044513.db2.gz PJVNOTVMAUCVJP-APPZFPTMSA-N 2 0 291.214 1.574 10 0 CDAERP [NH3+][C@@H]1COC[C@@H]1C[NH2+]Cc1ccc(Br)s1 ZINC000085376318 179044584 /nfs/dbraw/zinc/04/45/84/179044584.db2.gz PJVNOTVMAUCVJP-IONNQARKSA-N 2 0 291.214 1.574 10 0 CDAERP O[C@H](C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)COCc1ccco1 ZINC000037904682 346371083 /nfs/dbraw/zinc/37/10/83/346371083.db2.gz BQGIJIPPSNNDKO-UKRRQHHQSA-N 2 0 294.395 1.231 10 0 CDAERP CCc1nc2c(n1CC1CC[NH+](C)CC1)CC[NH2+]C2 ZINC000085573524 179099314 /nfs/dbraw/zinc/09/93/14/179099314.db2.gz RPSMDPYWFIOSBV-UHFFFAOYSA-N 2 0 262.401 1.433 10 0 CDAERP C[C@@H]1C[C@@H](N[C@@H]2CC[NH+](C)C(C)(C)C2)CC[N@@H+]1C ZINC000623430423 346616448 /nfs/dbraw/zinc/61/64/48/346616448.db2.gz PFACQYDJTZDPME-HZSPNIEDSA-N 2 0 253.434 1.932 10 0 CDAERP C[C@H]1CC[N@H+](CCN[C@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623437373 346755860 /nfs/dbraw/zinc/75/58/60/346755860.db2.gz CVWJVVMTGCXGIW-KBPBESRZSA-N 2 0 253.434 1.791 10 0 CDAERP CCC[NH2+][C@H](CCO)CN1CC[C@H]([NH+](CC)CC)C1 ZINC000085922964 179201469 /nfs/dbraw/zinc/20/14/69/179201469.db2.gz JWHLKPOYKNTDLX-CABCVRRESA-N 2 0 271.449 1.153 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612879511 347312723 /nfs/dbraw/zinc/31/27/23/347312723.db2.gz YMKXYMRKCRVVAP-GUTXKFCHSA-N 2 0 282.432 1.301 10 0 CDAERP C[NH+]1CCC(N2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000086127496 179235737 /nfs/dbraw/zinc/23/57/37/179235737.db2.gz RPOBKWCXWUCNFL-MRXNPFEDSA-N 2 0 259.397 1.727 10 0 CDAERP C[N@@H+]1CC[C@H](CN2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000086141904 179237074 /nfs/dbraw/zinc/23/70/74/179237074.db2.gz AATPJYCEOFYBKV-HOCLYGCPSA-N 2 0 259.397 1.585 10 0 CDAERP C1CC1[N@@H+]1CC[C@@H](N2CC[NH2+]C3(CCCCC3)C2)C1 ZINC000086145977 179238315 /nfs/dbraw/zinc/23/83/15/179238315.db2.gz PIGQAPUTEIKAPK-OAHLLOKOSA-N 2 0 263.429 1.831 10 0 CDAERP CC[N@@H+]1CCC[C@H](N2C[C@H](C(C)C)[NH2+]C[C@@H]2C)C1 ZINC000086172543 179244640 /nfs/dbraw/zinc/24/46/40/179244640.db2.gz BNOXQGNSVDCLRJ-SOUVJXGZSA-N 2 0 253.434 1.789 10 0 CDAERP CC(C)[C@@H]1C[NH2+][C@H](C)CN1C[C@@H]1CCC[N@H+](C)C1 ZINC000086173731 179244972 /nfs/dbraw/zinc/24/49/72/179244972.db2.gz VVCDGHVXCLTYFB-KFWWJZLASA-N 2 0 253.434 1.647 10 0 CDAERP CC(C)[C@@H]1CN(C[C@@H]2C[N@H+](C)CCN2C)[C@H](C(C)C)C[NH2+]1 ZINC000086175922 179246509 /nfs/dbraw/zinc/24/65/09/179246509.db2.gz PKYGLMWBORKMGU-ULQDDVLXSA-N 2 0 296.503 1.187 10 0 CDAERP CCC1(CC)CN([C@@H]2C[NH+]3CCC2CC3)[C@H](C)C[NH2+]1 ZINC000086182623 179248192 /nfs/dbraw/zinc/24/81/92/179248192.db2.gz BOFYBAIMVUALEI-UKRRQHHQSA-N 2 0 265.445 1.933 10 0 CDAERP C[C@H]1C[NH2+][C@@](C)(C2CC2)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223097 179250971 /nfs/dbraw/zinc/25/09/71/179250971.db2.gz MPUIKUPRGZPURD-GZBFAFLISA-N 2 0 251.418 1.401 10 0 CDAERP CC(C)C[C@@H]1CN([C@@H]2CCC[N@H+](C)C2)[C@@H](C)C[NH2+]1 ZINC000086223977 179253070 /nfs/dbraw/zinc/25/30/70/179253070.db2.gz FGHQHCVLBJEPLG-RRFJBIMHSA-N 2 0 253.434 1.789 10 0 CDAERP CC[C@H]1CN(C[C@@H]2CCCC[N@@H+]2C)[C@@H](CC)C[NH2+]1 ZINC000086259366 179258660 /nfs/dbraw/zinc/25/86/60/179258660.db2.gz RUNSBGXTXFITTE-KKUMJFAQSA-N 2 0 253.434 1.933 10 0 CDAERP C[C@@H](CC[NH2+][C@@H](C)C1CC[NH+](C)CC1)[S@](C)=O ZINC000090517379 347742648 /nfs/dbraw/zinc/74/26/48/347742648.db2.gz WNAUIPNZVKQAEA-NVGCLXPQSA-N 2 0 260.447 1.463 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CCOC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000615264696 348414756 /nfs/dbraw/zinc/41/47/56/348414756.db2.gz MBXVMKWYZQAKAH-GJZGRUSLSA-N 2 0 297.443 1.040 10 0 CDAERP C[C@@H](C(=O)N(C)CC1C[NH+](C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000618194822 349398012 /nfs/dbraw/zinc/39/80/12/349398012.db2.gz KEQRIRLQPKNYRH-XQQFMLRXSA-N 2 0 267.417 1.268 10 0 CDAERP CC(C)[C@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)CC[NH2+]1 ZINC000621157359 350464009 /nfs/dbraw/zinc/46/40/09/350464009.db2.gz UOWFMVYCTLLSKY-OAHLLOKOSA-N 2 0 290.411 1.364 10 0 CDAERP CC1(C)[C@H]([NH2+]CCOCCC[NH3+])[C@@H]2CCCO[C@@H]21 ZINC000629534909 362958983 /nfs/dbraw/zinc/95/89/83/362958983.db2.gz BCDOECAUBVDOLO-XQQFMLRXSA-N 2 0 256.390 1.145 10 0 CDAERP C[C@H]([NH2+]CCOCCC[NH3+])c1ccccc1-n1ccnn1 ZINC000629534607 362959003 /nfs/dbraw/zinc/95/90/03/362959003.db2.gz AJGZHDAGBAZTQH-ZDUSSCGKSA-N 2 0 289.383 1.283 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cnc(C)o1 ZINC000628234421 362965331 /nfs/dbraw/zinc/96/53/31/362965331.db2.gz ZRTRXUGWAWWKNQ-GFCCVEGCSA-N 2 0 255.362 1.429 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000629540516 362963201 /nfs/dbraw/zinc/96/32/01/362963201.db2.gz VEQKAVUZYJIHAT-UJOWSUJOSA-N 2 0 252.402 1.765 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)CC[C@@H]2CCC[NH2+]C2)C1 ZINC000621666020 350701939 /nfs/dbraw/zinc/70/19/39/350701939.db2.gz GXBVIYMFVNFXMY-MELADBBJSA-N 2 0 267.417 1.223 10 0 CDAERP CCn1nccc1CC[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000621776566 350772716 /nfs/dbraw/zinc/77/27/16/350772716.db2.gz OTTYWCRMKISNHY-OLZOCXBDSA-N 2 0 250.390 1.362 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CCCC12CC2 ZINC000629555272 362989166 /nfs/dbraw/zinc/98/91/66/362989166.db2.gz STRQHNWELUOOKS-XDQVBPFNSA-N 2 0 252.402 1.909 10 0 CDAERP C[C@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)[C@@H]1CCC[NH2+]C1 ZINC000629556629 362994117 /nfs/dbraw/zinc/99/41/17/362994117.db2.gz VMAXQRAHOSYAEN-OUCADQQQSA-N 2 0 265.401 1.118 10 0 CDAERP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)[C@@H]1CCCCO1 ZINC000623859359 351301735 /nfs/dbraw/zinc/30/17/35/351301735.db2.gz KSVVFRYVWVNYPE-GJZGRUSLSA-N 2 0 283.460 1.560 10 0 CDAERP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000154098937 351268143 /nfs/dbraw/zinc/26/81/43/351268143.db2.gz WCCKWMMMCUSGJZ-GJZGRUSLSA-N 2 0 296.459 1.596 10 0 CDAERP O[C@H](C[NH2+]C[C@H]1CC12CCSCC2)C[NH+]1CCCC1 ZINC000629580227 363033061 /nfs/dbraw/zinc/03/30/61/363033061.db2.gz NZNOOZAQBUOAKS-ZIAGYGMSSA-N 2 0 284.469 1.566 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(CC(=O)NC1CCCCCC1)C2 ZINC000629584427 363049367 /nfs/dbraw/zinc/04/93/67/363049367.db2.gz QVERUKFBOBCUOM-CALCHBBNSA-N 2 0 293.455 1.757 10 0 CDAERP CCc1cc(N2CC[NH+](CCCF)CC2)nc(C)n1 ZINC000624333591 351551316 /nfs/dbraw/zinc/55/13/16/351551316.db2.gz SFJCPLUBLHFZNR-UHFFFAOYSA-N 2 0 266.364 1.829 10 0 CDAERP c1ccc(C[N@@H+]2CC[C@H](N3C[C@@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC000250646992 366081876 /nfs/dbraw/zinc/08/18/76/366081876.db2.gz MBWKARUJRMOLOW-ULQDDVLXSA-N 2 0 271.408 1.412 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000629653516 363252850 /nfs/dbraw/zinc/25/28/50/363252850.db2.gz PFAKPBBGJUJJQA-UHFFFAOYSA-N 2 0 280.368 1.126 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629655176 363258824 /nfs/dbraw/zinc/25/88/24/363258824.db2.gz TZALFQKZMDAZBR-WOPDTQHZSA-N 2 0 281.366 1.819 10 0 CDAERP CCn1nc(C)c(C[N@H+](C)CCOCC[NH2+]C)c1C ZINC000629653979 363254938 /nfs/dbraw/zinc/25/49/38/363254938.db2.gz SQQCKIJCWJEUJS-UHFFFAOYSA-N 2 0 268.405 1.188 10 0 CDAERP C[N@H+](CCCC[NH2+][C@@H]1CCC(=O)NC1(C)C)C1CC1 ZINC000453390126 363298286 /nfs/dbraw/zinc/29/82/86/363298286.db2.gz CXZFETBZZJRHDW-CYBMUJFWSA-N 2 0 267.417 1.508 10 0 CDAERP C[C@H](C[NH2+]CCOCCC[NH3+])Cc1ccccc1 ZINC000629678775 363328928 /nfs/dbraw/zinc/32/89/28/363328928.db2.gz JYSUKEAKVIBZJR-AWEZNQCLSA-N 2 0 250.386 1.820 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)CC[N@@H+]1C ZINC000469506093 291045335 /nfs/dbraw/zinc/04/53/35/291045335.db2.gz BYECXFPGNWFNDJ-BYNSBNAKSA-N 2 0 279.428 1.460 10 0 CDAERP C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH2+]C2)[C@H]1c1ccccc1 ZINC000333652265 283126471 /nfs/dbraw/zinc/12/64/71/283126471.db2.gz VZOUWMOXBOBLDE-QLFBSQMISA-N 2 0 288.395 1.093 10 0 CDAERP Cc1nc(N)nc(N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)n1 ZINC000631133017 356116839 /nfs/dbraw/zinc/11/68/39/356116839.db2.gz DLHNHRVEHCUXOL-CQSZACIVSA-N 2 0 298.394 1.303 10 0 CDAERP CC(C)[C@H]([NH3+])C(=O)NC1CCN(c2ccccn2)CC1 ZINC000037008431 356306196 /nfs/dbraw/zinc/30/61/96/356306196.db2.gz MWCOIYJZAYXYCM-AWEZNQCLSA-N 2 0 276.384 1.150 10 0 CDAERP C[N@H+](CCNC(=O)[C@]12CCC[C@H]1C[NH2+]C2)C1CCCC1 ZINC000634767736 358508888 /nfs/dbraw/zinc/50/88/88/358508888.db2.gz IDWFESIUVMWXRH-BBRMVZONSA-N 2 0 279.428 1.367 10 0 CDAERP Cc1cnn(C[C@H](C)[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000072253953 356685419 /nfs/dbraw/zinc/68/54/19/356685419.db2.gz RVQWBHKUXRWTGA-HOTGVXAUSA-N 2 0 294.443 1.262 10 0 CDAERP C[NH+](C)CCCC[NH2+]Cc1cccc2c1OCO2 ZINC000045598256 357125041 /nfs/dbraw/zinc/12/50/41/357125041.db2.gz RNSYBMXFWSVGRW-UHFFFAOYSA-N 2 0 250.342 1.847 10 0 CDAERP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000565715936 357337620 /nfs/dbraw/zinc/33/76/20/357337620.db2.gz VYTPGCJULIJDLT-MJBXVCDLSA-N 2 0 267.417 1.508 10 0 CDAERP C[C@H]([NH2+]C[C@H](O)C[C@@](C)(O)C1CC1)C1=CC[N@H+](C)CC1 ZINC000634710765 357406218 /nfs/dbraw/zinc/40/62/18/357406218.db2.gz DSKHMKIOUFFUOF-APHBMKBZSA-N 2 0 282.428 1.138 10 0 CDAERP CC1(C)NC(=O)CC[C@H]1[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000336454009 363582963 /nfs/dbraw/zinc/58/29/63/363582963.db2.gz JZXASQHUIDXNCL-JXQTWKCFSA-N 2 0 279.428 1.650 10 0 CDAERP CC(C)n1cncc1C[NH2+]CCCN1CC[NH+](C)CC1 ZINC000090207648 357510898 /nfs/dbraw/zinc/51/08/98/357510898.db2.gz OIWDEJXSOCTCBE-UHFFFAOYSA-N 2 0 279.432 1.191 10 0 CDAERP Cc1nc(CC[NH3+])cc(NCC[C@@H]2CCC[N@H+]2C)n1 ZINC000067447277 357609017 /nfs/dbraw/zinc/60/90/17/357609017.db2.gz YIMXJTUUSMTJMG-ZDUSSCGKSA-N 2 0 263.389 1.182 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@@H]1CCCC[C@]1(C)[NH3+])C2 ZINC000634743957 358192631 /nfs/dbraw/zinc/19/26/31/358192631.db2.gz JWIJIBPJDVVJLL-HNKHHVNMSA-N 2 0 279.428 1.352 10 0 CDAERP CC1(C)C[NH2+]CC[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000634752114 358257078 /nfs/dbraw/zinc/25/70/78/358257078.db2.gz FKVUCFIIZOTFGN-AJNGGQMLSA-N 2 0 293.455 1.802 10 0 CDAERP C[C@H](NCC1([NH+](C)C)CCCCC1)[C@H]1CC[NH2+]C1 ZINC000400328474 299281691 /nfs/dbraw/zinc/28/16/91/299281691.db2.gz BBKQSPXPNZBEQA-KBPBESRZSA-N 2 0 253.434 1.839 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(CO)o2)[C@H](C)C1 ZINC000093639238 358619878 /nfs/dbraw/zinc/61/98/78/358619878.db2.gz FENCNXJLFXZJPR-IUODEOHRSA-N 2 0 266.385 1.934 10 0 CDAERP CC[NH2+]Cc1ccccc1NC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000569576437 358640307 /nfs/dbraw/zinc/64/03/07/358640307.db2.gz RLAKCMSPIHDDSV-YPMHNXCESA-N 2 0 261.369 1.733 10 0 CDAERP Cc1ccc(C[N@H+](CCO)C[C@@]2(C)CC[NH2+]C2)cc1 ZINC000261916388 359088661 /nfs/dbraw/zinc/08/86/61/359088661.db2.gz ZMIKJRZRARUGRR-INIZCTEOSA-N 2 0 262.397 1.789 10 0 CDAERP C[C@@]1(C[N@@H+]2CCC[C@@H]2C2CCOCC2)CC[NH2+]C1 ZINC000261980339 359113213 /nfs/dbraw/zinc/11/32/13/359113213.db2.gz JCRXSJNESCHKRO-HUUCEWRRSA-N 2 0 252.402 1.877 10 0 CDAERP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)CC1 ZINC000261990077 359115257 /nfs/dbraw/zinc/11/52/57/359115257.db2.gz SNAWRAJGXXGOPH-XHSDSOJGSA-N 2 0 281.444 1.075 10 0 CDAERP [NH3+]C[C@@H]1c2ccccc2CCN1CC[C@H]1CC[NH2+]C1 ZINC000566245917 359061304 /nfs/dbraw/zinc/06/13/04/359061304.db2.gz ZDYMYPZJTVBACV-CZUORRHYSA-N 2 0 259.397 1.544 10 0 CDAERP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262346935 359162357 /nfs/dbraw/zinc/16/23/57/359162357.db2.gz GWHPHHJESWXUTH-NPJQDHAYSA-N 2 0 295.471 1.857 10 0 CDAERP CC[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1 ZINC000572393637 359295316 /nfs/dbraw/zinc/29/53/16/359295316.db2.gz RJLLOXGWGMXYSN-OAGGEKHMSA-N 2 0 283.460 1.153 10 0 CDAERP C(C[NH+]1CCC(C[NH+]2CCOCC2)CC1)[C@@H]1CCCCO1 ZINC000347389376 359340373 /nfs/dbraw/zinc/34/03/73/359340373.db2.gz DVRHHWBLLKCDSH-KRWDZBQOSA-N 2 0 296.455 1.990 10 0 CDAERP O=C([C@@H]1CC12CC[NH2+]CC2)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371250495 296002008 /nfs/dbraw/zinc/00/20/08/296002008.db2.gz YDWZQPHLXNOXIJ-ILXRZTDVSA-N 2 0 291.439 1.367 10 0 CDAERP CC[NH+](CC)CC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000070449784 359942141 /nfs/dbraw/zinc/94/21/41/359942141.db2.gz CZIXSJPYTZBVDO-ZDUSSCGKSA-N 2 0 257.422 1.421 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCC[C@H]([NH3+])C1)C[NH+]1CCCC1 ZINC000062073304 359953722 /nfs/dbraw/zinc/95/37/22/359953722.db2.gz MNDWHWCNSUTNGI-RDBSUJKOSA-N 2 0 267.417 1.352 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)c2cccnc2)[C@H]2CCC[C@H]21 ZINC000348233203 359963895 /nfs/dbraw/zinc/96/38/95/359963895.db2.gz USCXVOJVMBKOHP-WCXIOVBPSA-N 2 0 289.423 1.620 10 0 CDAERP [NH3+]CCN(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000262146967 359995284 /nfs/dbraw/zinc/99/52/84/359995284.db2.gz QOHUFLIOGHNMRY-ZDUSSCGKSA-N 2 0 265.426 1.651 10 0 CDAERP C[C@@]1(C[N@@H+]2CCC[C@H](N3CCOCC3)CC2)CC[NH2+]C1 ZINC000566482036 360455067 /nfs/dbraw/zinc/45/50/67/360455067.db2.gz LUEHFGTUYMGBRH-JKSUJKDBSA-N 2 0 281.444 1.173 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000193318168 296016979 /nfs/dbraw/zinc/01/69/79/296016979.db2.gz NZVDUQWHZVGQJC-ZIAGYGMSSA-N 2 0 267.417 1.591 10 0 CDAERP C[N@@H+]1CCN(CC23CC(C2)C[NH2+]3)[C@H](c2ccccc2)C1 ZINC000634991495 360618384 /nfs/dbraw/zinc/61/83/84/360618384.db2.gz GUBYGDYMDAZUPV-WIHSUSGWSA-N 2 0 271.408 1.727 10 0 CDAERP c1ccc([C@H]2C[NH2+]CCN2CC23CC(C2)C[NH2+]3)cc1 ZINC000634996803 360620687 /nfs/dbraw/zinc/62/06/87/360620687.db2.gz VSCDSDIFBKEORP-OGVSOVDVSA-N 2 0 257.381 1.385 10 0 CDAERP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000626947303 360685182 /nfs/dbraw/zinc/68/51/82/360685182.db2.gz RITUXCXUTFJEEC-RFQIPJPRSA-N 2 0 282.432 1.156 10 0 CDAERP C[NH+](C)Cc1ccc(C(=O)NCCNc2cc[nH+]cc2)cc1 ZINC000338052470 360657850 /nfs/dbraw/zinc/65/78/50/360657850.db2.gz JOUHZVOWWFGWFK-UHFFFAOYSA-N 2 0 298.390 1.407 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000626952425 360696515 /nfs/dbraw/zinc/69/65/15/360696515.db2.gz DTCNKORFUOYTGB-SOUVJXGZSA-N 2 0 296.459 1.547 10 0 CDAERP CC[NH+](CC)CC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000628545215 360730873 /nfs/dbraw/zinc/73/08/73/360730873.db2.gz DOYZVLHZZLUWIW-HNNXBMFYSA-N 2 0 281.444 1.851 10 0 CDAERP CC(C)[C@H](C[NH2+][C@@H]1CN(C)C[C@@H]1C)c1ccnn1C ZINC000682617881 482848377 /nfs/dbraw/zinc/84/83/77/482848377.db2.gz ZVYSTTNFQSPMJQ-MELADBBJSA-N 2 0 264.417 1.699 10 0 CDAERP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CCNC1=O ZINC000179060799 189165515 /nfs/dbraw/zinc/16/55/15/189165515.db2.gz HDFZTTMIMCYKKO-HNNXBMFYSA-N 2 0 275.396 1.507 10 0 CDAERP C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc(-n2ccnc2)cs1 ZINC000335726576 360853352 /nfs/dbraw/zinc/85/33/52/360853352.db2.gz SIHYVIMXJKUQSE-ZYHUDNBSSA-N 2 0 263.366 1.889 10 0 CDAERP C[C@H]1C[N@H+](C)C[C@H]1NC1CC[NH+](C2CCC2)CC1 ZINC000335780026 360928447 /nfs/dbraw/zinc/92/84/47/360928447.db2.gz BIKFTIXHRFALAZ-SWLSCSKDSA-N 2 0 251.418 1.543 10 0 CDAERP C[NH+](C)C1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000431929236 361070033 /nfs/dbraw/zinc/07/00/33/361070033.db2.gz ZCNNKZLLNHDBPU-OAHLLOKOSA-N 2 0 281.444 1.804 10 0 CDAERP C[C@@H]([NH3+])c1ccc(C(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000335030328 296029996 /nfs/dbraw/zinc/02/99/96/296029996.db2.gz BTDDIIVVNKOYFQ-SKDRFNHKSA-N 2 0 283.322 1.433 10 0 CDAERP [NH3+][C@H]1CCC[C@H]([NH2+]CC2(CO)CC3(CCC3)C2)C1 ZINC000519608653 361372576 /nfs/dbraw/zinc/37/25/76/361372576.db2.gz IYHBIGCDUBTNFO-STQMWFEESA-N 2 0 252.402 1.789 10 0 CDAERP C[NH2+][C@@H]1CCCN(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)C1 ZINC000417534312 283655732 /nfs/dbraw/zinc/65/57/32/283655732.db2.gz OAKLQXZMGVPOQI-RBSFLKMASA-N 2 0 296.459 1.643 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NCC[N@H+](C)C1CC1 ZINC000352658483 363802551 /nfs/dbraw/zinc/80/25/51/363802551.db2.gz YKUBYGGQSSDSMM-GFCCVEGCSA-N 2 0 270.421 1.110 10 0 CDAERP [NH3+]C[C@@H](NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C1CCCC1 ZINC000582231341 364102777 /nfs/dbraw/zinc/10/27/77/364102777.db2.gz KAZULOHWLWDKBN-HZSPNIEDSA-N 2 0 280.416 1.040 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000457990110 364121906 /nfs/dbraw/zinc/12/19/06/364121906.db2.gz BHVHYBKCOJYJEA-KBPBESRZSA-N 2 0 282.432 1.112 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)NC[C@@H](C)[NH+](CC)CC)CC1 ZINC000458716790 364178903 /nfs/dbraw/zinc/17/89/03/364178903.db2.gz RVFGOAOYBYDBKD-HUUCEWRRSA-N 2 0 298.475 1.842 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000248867552 364322611 /nfs/dbraw/zinc/32/26/11/364322611.db2.gz NRWNMLHKBAJRKR-CRWXNKLISA-N 2 0 269.433 1.596 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000248870883 364325065 /nfs/dbraw/zinc/32/50/65/364325065.db2.gz OTFDFRDRQAEDEM-GBJTYRQASA-N 2 0 297.443 1.214 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CNC1CC([NH+](C)C)C1 ZINC000566631404 370781641 /nfs/dbraw/zinc/78/16/41/370781641.db2.gz XCZGAFLERZNJDA-UHFFFAOYSA-N 2 0 285.395 1.758 10 0 CDAERP c1nc2n(n1)[C@@H](C[N@@H+]1CCCN(c3cc[nH+]cc3)CC1)CC2 ZINC000639685528 364424757 /nfs/dbraw/zinc/42/47/57/364424757.db2.gz URBLQJJIXXLNQM-OAHLLOKOSA-N 2 0 298.394 1.373 10 0 CDAERP C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@H]1c1ccccc1 ZINC000270664307 364697872 /nfs/dbraw/zinc/69/78/72/364697872.db2.gz OSVIPFDWEJDYKA-ARFHVFGLSA-N 2 0 287.407 1.642 10 0 CDAERP COC[C@H](C)C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000187077612 364707614 /nfs/dbraw/zinc/70/76/14/364707614.db2.gz CIIFURTYMGXNAG-BRWVUGGUSA-N 2 0 297.487 1.759 10 0 CDAERP CC[C@H](Cn1cncn1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000353413479 365191315 /nfs/dbraw/zinc/19/13/15/365191315.db2.gz PSBTXJQQBBDOLK-MGPQQGTHSA-N 2 0 263.389 1.273 10 0 CDAERP COCCN1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000353527584 365277094 /nfs/dbraw/zinc/27/70/94/365277094.db2.gz DGWZCBQFSAQDCA-JONQDZQNSA-N 2 0 281.444 1.170 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)CS1 ZINC000397798508 366887567 /nfs/dbraw/zinc/88/75/67/366887567.db2.gz UUGMAYQQZQRPBA-FRRDWIJNSA-N 2 0 258.431 1.317 10 0 CDAERP C[C@@H](C[NH+](C)C)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000353838021 365379468 /nfs/dbraw/zinc/37/94/68/365379468.db2.gz VWVKXHWYYOSWMZ-FUDCBSFHSA-N 2 0 282.432 1.251 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000626960356 366935976 /nfs/dbraw/zinc/93/59/76/366935976.db2.gz QIYINZADEYXRMH-DZGCQCFKSA-N 2 0 296.459 1.691 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000261645677 482917617 /nfs/dbraw/zinc/91/76/17/482917617.db2.gz DAHQGAXITBDULM-RBSFLKMASA-N 2 0 281.444 1.456 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000626982680 367132359 /nfs/dbraw/zinc/13/23/59/367132359.db2.gz OZRXMIZDJUBKJC-RBSFLKMASA-N 2 0 296.459 1.691 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627038976 367280571 /nfs/dbraw/zinc/28/05/71/367280571.db2.gz XQBYVILETCNTOS-AGIUHOORSA-N 2 0 270.421 1.155 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)NCC2CC[NH+](C3CC3)CC2)C[NH2+]1 ZINC000627020166 367243946 /nfs/dbraw/zinc/24/39/46/367243946.db2.gz AUNAQGIAHNYLDL-OCCSQVGLSA-N 2 0 294.443 1.301 10 0 CDAERP CCN(CCC[NH+](CC)CC)C(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000230715186 367532044 /nfs/dbraw/zinc/53/20/44/367532044.db2.gz DILRWYUAPXKNJA-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)[C@H](C)C1 ZINC000358206948 367512134 /nfs/dbraw/zinc/51/21/34/367512134.db2.gz SVIPAXKGBGXLNA-VYDRJRHOSA-N 2 0 279.428 1.316 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000627167241 367601508 /nfs/dbraw/zinc/60/15/08/367601508.db2.gz ADELTRLLIYFDQG-MELADBBJSA-N 2 0 280.416 1.007 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)N[C@@H]2CC[NH2+][C@H]2CC)CC1 ZINC000627158657 367587072 /nfs/dbraw/zinc/58/70/72/367587072.db2.gz AXNNWAXZACMUIE-MELADBBJSA-N 2 0 282.432 1.253 10 0 CDAERP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCCC[NH3+])C1 ZINC000417215924 242360982 /nfs/dbraw/zinc/36/09/82/242360982.db2.gz ACCPLZCPSCJSHW-ZFWWWQNUSA-N 2 0 290.411 1.470 10 0 CDAERP CCC[N@H+](C)CC(=O)NCC[NH+]1CCCC[C@@H]1C ZINC000358594925 367803037 /nfs/dbraw/zinc/80/30/37/367803037.db2.gz RANNXAWTMIMRGK-ZDUSSCGKSA-N 2 0 255.406 1.319 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000627240102 367804913 /nfs/dbraw/zinc/80/49/13/367804913.db2.gz QCEPQCYMFPHSKU-SOUVJXGZSA-N 2 0 294.443 1.397 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCCCCC[NH+]1CCCCC1 ZINC000417697157 242591519 /nfs/dbraw/zinc/59/15/19/242591519.db2.gz CLTSGGGONZRRET-ZIAGYGMSSA-N 2 0 284.448 1.678 10 0 CDAERP CC1=CC[N@H+](CCNC(=O)N2CC[NH+](C(C)C)CC2)CC1 ZINC000358669114 367861111 /nfs/dbraw/zinc/86/11/11/367861111.db2.gz QUJLIEOVAGAULQ-UHFFFAOYSA-N 2 0 294.443 1.374 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CC=C(C)CC1 ZINC000358624309 367824511 /nfs/dbraw/zinc/82/45/11/367824511.db2.gz BCUCYVZSCDIVKG-OAHLLOKOSA-N 2 0 294.443 1.422 10 0 CDAERP c1cn(Cc2ccccc2)c(CN[C@@H]2CCC[NH2+]C2)n1 ZINC000414866589 367999445 /nfs/dbraw/zinc/99/94/45/367999445.db2.gz NFTZSBGJRXXVTM-OAHLLOKOSA-N 2 0 270.380 1.773 10 0 CDAERP CC(C)[N@H+](C)CC1CCN(C(=O)C2=CC[C@@H]([NH3+])C2)CC1 ZINC000638077358 368100763 /nfs/dbraw/zinc/10/07/63/368100763.db2.gz RQCVXZVSBLWROS-OAHLLOKOSA-N 2 0 279.428 1.613 10 0 CDAERP C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)C1 ZINC000418406086 243037562 /nfs/dbraw/zinc/03/75/62/243037562.db2.gz BQUZEDMMBBOPHN-HUUCEWRRSA-N 2 0 290.411 1.422 10 0 CDAERP C[C@@H](CCCC[NH3+])NC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418406802 243038696 /nfs/dbraw/zinc/03/86/96/243038696.db2.gz CJGJZXBPJWXYIY-JSGCOSHPSA-N 2 0 278.400 1.503 10 0 CDAERP CC(C)CC[C@H]([NH3+])C(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000638124021 368518969 /nfs/dbraw/zinc/51/89/69/368518969.db2.gz VGBJZQCVIBHUNZ-ZNMIVQPWSA-N 2 0 281.444 1.835 10 0 CDAERP CC[C@H](C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000360857341 368521756 /nfs/dbraw/zinc/52/17/56/368521756.db2.gz QEQRQBWSICNVII-RWMBFGLXSA-N 2 0 255.406 1.268 10 0 CDAERP C[NH+]1CCC(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)CC1 ZINC000366635868 368546658 /nfs/dbraw/zinc/54/66/58/368546658.db2.gz YFUMRHFNZBGNMJ-GJZGRUSLSA-N 2 0 279.428 1.319 10 0 CDAERP Cc1nn(C(C)C)cc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000360985763 368585143 /nfs/dbraw/zinc/58/51/43/368585143.db2.gz IXVCAJGXGORMRQ-UHFFFAOYSA-N 2 0 294.443 1.974 10 0 CDAERP CO[C@H]1CN(Cc2cccc(F)c2)[C@](C)(C[NH3+])C1 ZINC000630358925 368785357 /nfs/dbraw/zinc/78/53/57/368785357.db2.gz CTRSJUSIHPPMNU-KGLIPLIRSA-N 2 0 252.333 1.764 10 0 CDAERP CC(C)CC[C@H]([NH3+])C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000638275762 369083759 /nfs/dbraw/zinc/08/37/59/369083759.db2.gz OPMRHTGPSWRCAE-STQMWFEESA-N 2 0 255.406 1.303 10 0 CDAERP CC[NH+](CC)C[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000362897984 369121878 /nfs/dbraw/zinc/12/18/78/369121878.db2.gz WQPPGQNEXVUCEG-MRXNPFEDSA-N 2 0 295.471 1.909 10 0 CDAERP C[C@H](CNC(=O)N1CC[NH+]2CCC1CC2)C[NH+]1CCCC1 ZINC000367410614 369141930 /nfs/dbraw/zinc/14/19/30/369141930.db2.gz QMAKNTQGMAEKQB-CQSZACIVSA-N 2 0 294.443 1.208 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2(N3CCOCC3)CC2)[C@@H]2CCC[C@@H]21 ZINC000367627545 369201682 /nfs/dbraw/zinc/20/16/82/369201682.db2.gz UEGLZDRLNFSAOR-JYJNAYRXSA-N 2 0 293.455 1.314 10 0 CDAERP C(C[NH2+]CCN1CC[NH2+]CC1)CC1CCCCC1 ZINC000414890137 369211821 /nfs/dbraw/zinc/21/18/21/369211821.db2.gz URRWTGMHQIDGAP-UHFFFAOYSA-N 2 0 253.434 1.842 10 0 CDAERP Cn1cc(CCC[NH2+][C@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cn1 ZINC000367748470 369234674 /nfs/dbraw/zinc/23/46/74/369234674.db2.gz ZWXUPKMSFIGEPS-PMPSAXMXSA-N 2 0 276.428 1.815 10 0 CDAERP CN1CC[C@H]([NH2+]CCC[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000420399860 244200438 /nfs/dbraw/zinc/20/04/38/244200438.db2.gz IIFKNSUBQDGYOU-UONOGXRCSA-N 2 0 269.339 1.648 10 0 CDAERP COC(=O)[C@@H]1CSCC[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000415145395 284145914 /nfs/dbraw/zinc/14/59/14/284145914.db2.gz XBGKOKGJCRIVRD-AVGNSLFASA-N 2 0 286.441 1.213 10 0 CDAERP [NH3+]Cc1cccc(-n2cc(CC[NH+]3CCCCC3)nn2)c1 ZINC000630608231 369383262 /nfs/dbraw/zinc/38/32/62/369383262.db2.gz WHTIWPPBETWJEK-UHFFFAOYSA-N 2 0 285.395 1.754 10 0 CDAERP [NH3+][C@H](c1cn(C[C@H]2CCC[NH2+]2)nn1)c1ccc(F)cc1 ZINC000630605683 369387117 /nfs/dbraw/zinc/38/71/17/369387117.db2.gz MWUAZMAGIWFOAN-OCCSQVGLSA-N 2 0 275.331 1.217 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)c1ccc(Cn2ccnc2)cc1 ZINC000567351272 370962640 /nfs/dbraw/zinc/96/26/40/370962640.db2.gz DAGIOJPMQNZLCI-NEPJUHHUSA-N 2 0 272.352 1.397 10 0 CDAERP CO[C@@H](C[NH2+]C[C@@H](O)CN1CCCCC1)C1CCCC1 ZINC000638412759 369894133 /nfs/dbraw/zinc/89/41/33/369894133.db2.gz SPUSEVYESIBQNM-CVEARBPZSA-N 2 0 284.444 1.628 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)CC[N@@H+]1C ZINC000630838038 370061775 /nfs/dbraw/zinc/06/17/75/370061775.db2.gz BDBJCNQOLJRDAY-OWCLPIDISA-N 2 0 295.471 1.953 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H](CC(C)C)C[NH+](C)C)C1 ZINC000249761205 370183175 /nfs/dbraw/zinc/18/31/75/370183175.db2.gz LOLSEQXHLXIWBO-HUUCEWRRSA-N 2 0 298.475 1.746 10 0 CDAERP [NH3+]CCCCCCC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000371232433 370219113 /nfs/dbraw/zinc/21/91/13/370219113.db2.gz SFYYHSKJGVPMCX-HUUCEWRRSA-N 2 0 281.444 1.886 10 0 CDAERP CC(C)([NH3+])CC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000371232533 370219228 /nfs/dbraw/zinc/21/92/28/370219228.db2.gz SSWRBEUJCQVVIF-NWDGAFQWSA-N 2 0 253.390 1.104 10 0 CDAERP C[N@@H+]1CCN(CC[NH2+]C[C@H](O)CC2CCCC2)CC1(C)C ZINC000564861408 370279571 /nfs/dbraw/zinc/27/95/71/370279571.db2.gz AHOCMTIZVOGLOD-MRXNPFEDSA-N 2 0 297.487 1.543 10 0 CDAERP CC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H](CCOC)C1 ZINC000565162317 370364245 /nfs/dbraw/zinc/36/42/45/370364245.db2.gz HUAWXOVNNXSFKJ-GJZGRUSLSA-N 2 0 272.433 1.438 10 0 CDAERP C[C@@H](NC(=O)NCC1([NH3+])CCCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000418281711 370434079 /nfs/dbraw/zinc/43/40/79/370434079.db2.gz FEXRJWBNUUCCOR-ZIAGYGMSSA-N 2 0 296.459 1.725 10 0 CDAERP CC(=O)Nc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000414933944 370560586 /nfs/dbraw/zinc/56/05/86/370560586.db2.gz AARSAZHUYWHXJN-XHDPSFHLSA-N 2 0 261.369 1.733 10 0 CDAERP C[NH2+][C@H](C)C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000390762169 370554725 /nfs/dbraw/zinc/55/47/25/370554725.db2.gz BULOAKJDODJBKZ-QWHCGFSZSA-N 2 0 263.385 1.231 10 0 CDAERP [NH3+][C@H](C(=O)NCC1([NH3+])CCCCCC1)C1CCC1 ZINC000422542086 245102855 /nfs/dbraw/zinc/10/28/55/245102855.db2.gz PMVGIHWJZXBICK-LBPRGKRZSA-N 2 0 253.390 1.282 10 0 CDAERP CC[C@H](C(=O)N(C)C[C@H]1CCC[N@@H+]1CC)[NH+](C)C ZINC000121768062 370637606 /nfs/dbraw/zinc/63/76/06/370637606.db2.gz WMMYFZQYGRIAQF-CHWSQXEVSA-N 2 0 255.406 1.269 10 0 CDAERP COc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1F ZINC000414960484 371074938 /nfs/dbraw/zinc/07/49/38/371074938.db2.gz QVNYJDYSTYDTDY-ZWNOBZJWSA-N 2 0 252.333 1.922 10 0 CDAERP C[NH+](C)C1(CN[C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CCCC1 ZINC000422791785 245260321 /nfs/dbraw/zinc/26/03/21/245260321.db2.gz VEXMUWYAMUSFAY-GJZGRUSLSA-N 2 0 281.444 1.217 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000567821214 371159428 /nfs/dbraw/zinc/15/94/28/371159428.db2.gz WWWMVDCNOYXAFM-PJIALRRASA-N 2 0 282.432 1.427 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCN1CCCC[C@H]1C ZINC000422857098 245339365 /nfs/dbraw/zinc/33/93/65/245339365.db2.gz GWKLYOFCEYKIGQ-KGLIPLIRSA-N 2 0 257.422 1.204 10 0 CDAERP CC[C@H](Cn1cncn1)[NH2+]C[C@H]1N(C)CCCC1(C)C ZINC000340498029 371169458 /nfs/dbraw/zinc/16/94/58/371169458.db2.gz IWWWEUSAJIXQBQ-ZIAGYGMSSA-N 2 0 279.432 1.767 10 0 CDAERP C[C@H](C[C@H]1COCC[NH2+]1)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000422888722 245374544 /nfs/dbraw/zinc/37/45/44/245374544.db2.gz NPDMKAHDDOVIQW-WCVJEAGWSA-N 2 0 283.460 1.606 10 0 CDAERP CCCCNC(=O)CC[N@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000123407296 371455034 /nfs/dbraw/zinc/45/50/34/371455034.db2.gz NEYBOXSODLIQQV-KGLIPLIRSA-N 2 0 269.433 1.707 10 0 CDAERP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000573699281 371629169 /nfs/dbraw/zinc/62/91/69/371629169.db2.gz HOOCWNJZZMUVFV-VNQPRFMTSA-N 2 0 279.428 1.496 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCN2CCCC2=O)[C@@H]2CCC[C@H]21 ZINC000580560121 372024037 /nfs/dbraw/zinc/02/40/37/372024037.db2.gz PYZDUERPPAEDAC-MELADBBJSA-N 2 0 265.401 1.071 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCOc1ncccc1Cl ZINC000422928827 245415722 /nfs/dbraw/zinc/41/57/22/245415722.db2.gz MXEUYUHUSVWFSG-NSHDSACASA-N 2 0 287.791 1.457 10 0 CDAERP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccc(-n2ccnn2)cc1 ZINC000578313988 372384721 /nfs/dbraw/zinc/38/47/21/372384721.db2.gz MBAWZYKYBOLEDP-NEPJUHHUSA-N 2 0 271.368 1.526 10 0 CDAERP [NH3+]C[C@H](NC(=O)N1CCC2(CC[NH2+]2)CC1)C1CCCCC1 ZINC000333252253 205154507 /nfs/dbraw/zinc/15/45/07/205154507.db2.gz HBEFUEMHZHXPME-AWEZNQCLSA-N 2 0 294.443 1.432 10 0 CDAERP c1nc2c([nH]1)C[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)CC2 ZINC000353631908 372876445 /nfs/dbraw/zinc/87/64/45/372876445.db2.gz QYBPZMRWYXWAHX-FRRDWIJNSA-N 2 0 260.385 1.483 10 0 CDAERP CC[N@H+](CC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C)C1CC1 ZINC000343574969 284398989 /nfs/dbraw/zinc/39/89/89/284398989.db2.gz HDZKBSRRPBIKBX-KBPBESRZSA-N 2 0 281.444 1.850 10 0 CDAERP C[C@@H]1C[N@H+](CCOc2ccccc2F)C[C@H]1C[NH3+] ZINC000631843857 373901262 /nfs/dbraw/zinc/90/12/62/373901262.db2.gz SKLGZHLRTKRPHH-VXGBXAGGSA-N 2 0 252.333 1.731 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000653955708 412818686 /nfs/dbraw/zinc/81/86/86/412818686.db2.gz SMXFONYFUFVANH-KFWWJZLASA-N 2 0 296.459 1.356 10 0 CDAERP [NH3+][C@@H]1CCCCCN(C(=O)CCn2ccnc2)C1 ZINC000638820134 375005430 /nfs/dbraw/zinc/00/54/30/375005430.db2.gz RGYAHVFLDGQZIH-GFCCVEGCSA-N 2 0 250.346 1.003 10 0 CDAERP C[C@@H](CC(=O)N1CCC2(CC[NH2+]C2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000334376302 375100842 /nfs/dbraw/zinc/10/08/42/375100842.db2.gz DYOMORKLBMTNNQ-LSDHHAIUSA-N 2 0 293.455 1.614 10 0 CDAERP C[N@@H+]1CCCC12CC[NH+](C[C@@]1(O)CCCOC1)CC2 ZINC000660166876 412832866 /nfs/dbraw/zinc/83/28/66/412832866.db2.gz HIZAQRDJLYBKJZ-HNNXBMFYSA-N 2 0 268.401 1.088 10 0 CDAERP O=C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)N1CCCCC1 ZINC000047971465 375261127 /nfs/dbraw/zinc/26/11/27/375261127.db2.gz AUDDSBUTSGIUPC-UHFFFAOYSA-N 2 0 293.455 1.807 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)Nc1cccc(C[NH3+])c1 ZINC000226118460 375273115 /nfs/dbraw/zinc/27/31/15/375273115.db2.gz PZJQQVUIEYVDDH-ZDUSSCGKSA-N 2 0 262.357 1.361 10 0 CDAERP OC1(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CCOCC1 ZINC000131322837 375404987 /nfs/dbraw/zinc/40/49/87/375404987.db2.gz SKBLBTXJSQTARN-HNNXBMFYSA-N 2 0 282.428 1.478 10 0 CDAERP O=C(CC[N@@H+]1CCc2ccccc2C1)NCc1c[nH]cn1 ZINC000416165612 375574744 /nfs/dbraw/zinc/57/47/44/375574744.db2.gz GXEGSGWPIZZWNG-UHFFFAOYSA-N 2 0 284.363 1.474 10 0 CDAERP COC[C@@H](CC1CCOCC1)[NH2+]CCC[NH+]1CCCC1 ZINC000657825060 542008141 /nfs/dbraw/zinc/00/81/41/542008141.db2.gz VRWBTLRZKYNRQB-MRXNPFEDSA-N 2 0 284.444 1.894 10 0 CDAERP O=C(NCCC[NH+]1CCCCC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000416881520 375696695 /nfs/dbraw/zinc/69/66/95/375696695.db2.gz ZYLPXSNEYFNSIF-OAHLLOKOSA-N 2 0 294.443 1.398 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000417337759 375785659 /nfs/dbraw/zinc/78/56/59/375785659.db2.gz XPSIUTJPRCQKGM-CHWSQXEVSA-N 2 0 296.459 1.676 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000417384223 376032831 /nfs/dbraw/zinc/03/28/31/376032831.db2.gz CHTSRSIZKGQYRI-LBPRGKRZSA-N 2 0 270.421 1.002 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N2CC[NH2+][C@H](C)[C@@H]2C)CC1 ZINC000417393090 376341365 /nfs/dbraw/zinc/34/13/65/376341365.db2.gz QBSOEIAQRPBDBQ-KGLIPLIRSA-N 2 0 296.459 1.500 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000638979574 376342520 /nfs/dbraw/zinc/34/25/20/376342520.db2.gz FRQINOKVFOJDCZ-KGLIPLIRSA-N 2 0 281.444 1.707 10 0 CDAERP Cn1c2cc(C[N@@H+]3CCCC[C@@H]3CC[NH3+])ccc2oc1=O ZINC000631826436 376659092 /nfs/dbraw/zinc/65/90/92/376659092.db2.gz NAMGCTNDQNIZGD-CYBMUJFWSA-N 2 0 289.379 1.835 10 0 CDAERP COc1c[nH+]ccc1N1CC[NH+](C[C@@H](O)C(C)C)CC1 ZINC000433185082 248003616 /nfs/dbraw/zinc/00/36/16/248003616.db2.gz AEERSVWUJUABQC-CQSZACIVSA-N 2 0 279.384 1.229 10 0 CDAERP CCn1nc(C)c(CN(C)C[C@H]2CC[NH2+]C2)c1C ZINC000631836359 376681452 /nfs/dbraw/zinc/68/14/52/376681452.db2.gz VZEHHLMDHNOTQY-ZDUSSCGKSA-N 2 0 250.390 1.561 10 0 CDAERP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631840993 376692267 /nfs/dbraw/zinc/69/22/67/376692267.db2.gz HBSQUCZGBLGERX-CYDGBPFRSA-N 2 0 255.406 1.206 10 0 CDAERP C[C@H](C(=O)NCCc1ccccc1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631841434 376697942 /nfs/dbraw/zinc/69/79/42/376697942.db2.gz KMXONLKHCUOKEO-IIAWOOMASA-N 2 0 289.423 1.260 10 0 CDAERP O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CCC2(CC[NH2+]2)CC1 ZINC000335632992 284591917 /nfs/dbraw/zinc/59/19/17/284591917.db2.gz VEWCLAQCRMOJHN-OAHLLOKOSA-N 2 0 285.391 1.055 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000344975926 377133053 /nfs/dbraw/zinc/13/30/53/377133053.db2.gz IBECKHQBTSCJDD-UHFFFAOYSA-N 2 0 296.459 1.622 10 0 CDAERP COc1cc(CN2CC[C@@H]3CC[N@H+](C)C[C@@H]32)ccc1O ZINC000249543678 377447853 /nfs/dbraw/zinc/44/78/53/377447853.db2.gz JWAQNHOMCZHQOT-KBPBESRZSA-N 2 0 276.380 1.927 10 0 CDAERP C[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)C2CCCCC2)C1 ZINC000249113492 377401951 /nfs/dbraw/zinc/40/19/51/377401951.db2.gz RQFFFUYSJURMFZ-UKRRQHHQSA-N 2 0 254.418 1.811 10 0 CDAERP O=C(C1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1)N1CCCCC1 ZINC000334831422 377573926 /nfs/dbraw/zinc/57/39/26/377573926.db2.gz USQQTMNRHDYDGO-HNNXBMFYSA-N 2 0 293.455 1.711 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)CC[N@@H+]1C ZINC000632798172 377868579 /nfs/dbraw/zinc/86/85/79/377868579.db2.gz RJOIVLRYEZJSMS-ZNMIVQPWSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NC(C)(C)C[NH3+] ZINC000417537475 377904225 /nfs/dbraw/zinc/90/42/25/377904225.db2.gz SFLCTLGSSFNEHU-TXEJJXNPSA-N 2 0 270.421 1.286 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000193316676 378273545 /nfs/dbraw/zinc/27/35/45/378273545.db2.gz KGNXRAJEXJZQNG-VXGBXAGGSA-N 2 0 257.422 1.596 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1C ZINC000633613207 378594189 /nfs/dbraw/zinc/59/41/89/378594189.db2.gz VDBDYDHWMRPFSK-HZSPNIEDSA-N 2 0 267.417 1.269 10 0 CDAERP Cc1nc(F)ccc1C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000278540296 194033595 /nfs/dbraw/zinc/03/35/95/194033595.db2.gz SZNDDWIEAQTEBQ-UHFFFAOYSA-N 2 0 267.348 1.075 10 0 CDAERP CC[N@H+](C)C[C@@H](O)C[NH2+]C1(COC)CCCCC1 ZINC000662339390 412908119 /nfs/dbraw/zinc/90/81/19/412908119.db2.gz GWANAGXFAROWIX-ZDUSSCGKSA-N 2 0 258.406 1.238 10 0 CDAERP C[C@@H]1CC2(C[N@@H+]1C[C@]1(C)CC[NH2+]C1)CC[NH2+]CC2 ZINC000335545185 296294542 /nfs/dbraw/zinc/29/45/42/296294542.db2.gz XSQMYINFCVONPP-ZIAGYGMSSA-N 3 0 251.418 1.450 10 0 CDAERP C[C@H](O)C[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)C1CC1 ZINC000655949627 412961700 /nfs/dbraw/zinc/96/17/00/412961700.db2.gz ZTHSPRVVWZOEFF-LBPRGKRZSA-N 2 0 260.381 1.678 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H]2O)[C@H](C)C1 ZINC000453391241 252309667 /nfs/dbraw/zinc/30/96/67/252309667.db2.gz SWSNAMILJUBXNX-LTIDMASMSA-N 2 0 298.471 1.874 10 0 CDAERP COCCN1CC[C@H]([NH2+]CCCC[N@H+](C)C2CC2)C1 ZINC000453405893 252313183 /nfs/dbraw/zinc/31/31/83/252313183.db2.gz QRKINNJNROUDPM-AWEZNQCLSA-N 2 0 269.433 1.171 10 0 CDAERP COCC[N@@H+]1CCC[C@@H]1CN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000422703255 285029936 /nfs/dbraw/zinc/02/99/36/285029936.db2.gz HHTDNKQPFHDCDE-ILXRZTDVSA-N 2 0 269.433 1.347 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CNC[C@@H](C)C[NH+](C)C ZINC000491594205 253092494 /nfs/dbraw/zinc/09/24/94/253092494.db2.gz NTEKWEPMHKFJNO-CYBMUJFWSA-N 2 0 287.411 1.863 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C[C@H]1CC[NH2+]C1 ZINC000662450364 413031491 /nfs/dbraw/zinc/03/14/91/413031491.db2.gz OGHKHGNNZAADFH-MELADBBJSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)C[C@@H]([NH3+])c1noc([C@@H]2C[NH2+]CCC2(F)F)n1 ZINC000647133085 390501402 /nfs/dbraw/zinc/50/14/02/390501402.db2.gz YRMRKFPBLPUWOU-DTWKUNHWSA-N 2 0 274.315 1.828 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000246553621 285392050 /nfs/dbraw/zinc/39/20/50/285392050.db2.gz UAYUZJOOLIWUHU-YJNKXOJESA-N 2 0 281.444 1.693 10 0 CDAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000648164765 390860830 /nfs/dbraw/zinc/86/08/30/390860830.db2.gz VQPPQQXISAAXQK-AEGPPILISA-N 2 0 275.396 1.360 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)C1([NH3+])CCCC1 ZINC000237508735 390845296 /nfs/dbraw/zinc/84/52/96/390845296.db2.gz YYEYAVBAZCVNDS-LBPRGKRZSA-N 2 0 253.390 1.249 10 0 CDAERP CC(C)NC(=O)CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158639897 390934597 /nfs/dbraw/zinc/93/45/97/390934597.db2.gz IZHDHDGCURFWLT-KGLIPLIRSA-N 2 0 267.417 1.317 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]CCCc2ncn(C)n2)[C@H](C)C1 ZINC000647325385 390939272 /nfs/dbraw/zinc/93/92/72/390939272.db2.gz DVBBDESJZNWEKT-OLZOCXBDSA-N 2 0 265.405 1.068 10 0 CDAERP CC1(C)C[NH2+][C@H]1C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000648199138 390949636 /nfs/dbraw/zinc/94/96/36/390949636.db2.gz VTHQOYCQGZLSHP-KGLIPLIRSA-N 2 0 273.380 1.069 10 0 CDAERP C[C@@H]([NH3+])C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000157968739 390927556 /nfs/dbraw/zinc/92/75/56/390927556.db2.gz NUVQGNBVFCNLGH-IYXRBSQSSA-N 2 0 267.417 1.493 10 0 CDAERP COCC[N@H+](C)CCC[NH2+][C@H]1CCCSCC1 ZINC000657832938 413048362 /nfs/dbraw/zinc/04/83/62/413048362.db2.gz HWNUQJSTYHWIAM-ZDUSSCGKSA-N 2 0 260.447 1.830 10 0 CDAERP C[C@@H]1C[NH2+]C[C@@H](NCc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000647550769 390999563 /nfs/dbraw/zinc/99/95/63/390999563.db2.gz GMWZADZRQAGCJW-WFASDCNBSA-N 2 0 279.403 1.975 10 0 CDAERP CC(C)C[C@@H]([NH3+])CN1CCc2ccccc2[C@H]1C[NH3+] ZINC000647553049 391001645 /nfs/dbraw/zinc/00/16/45/391001645.db2.gz XJEUZTONSDFIBV-GDBMZVCRSA-N 2 0 261.413 1.918 10 0 CDAERP [NH3+]C1CCC([NH2+]Cc2ccc(CO)c(F)c2)CC1 ZINC000415081848 391002330 /nfs/dbraw/zinc/00/23/30/391002330.db2.gz CKIZGMAJOWFSGW-UHFFFAOYSA-N 2 0 252.333 1.678 10 0 CDAERP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]CC2(F)CC2)CC1 ZINC000526989190 391243963 /nfs/dbraw/zinc/24/39/63/391243963.db2.gz QZNONRXYPPEYEU-UHFFFAOYSA-N 2 0 299.434 1.705 10 0 CDAERP CC(C)(O)C[NH+]1CCC([NH2+]CC[C@H]2CCCO2)CC1 ZINC000647908884 391248994 /nfs/dbraw/zinc/24/89/94/391248994.db2.gz YZZHCVJYIYCNCT-CQSZACIVSA-N 2 0 270.417 1.380 10 0 CDAERP C[NH2+][C@@H]1CCCN(C(=O)NCC[N@H+]2CC=C(C)CC2)C1 ZINC000418037227 391355615 /nfs/dbraw/zinc/35/56/15/391355615.db2.gz ZPCXWVLJJBEWCH-CQSZACIVSA-N 2 0 280.416 1.032 10 0 CDAERP C[C@@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000063302037 391431951 /nfs/dbraw/zinc/43/19/51/391431951.db2.gz CZURYBLMJCKOMS-CQSZACIVSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000354718056 391432021 /nfs/dbraw/zinc/43/20/21/391432021.db2.gz VRIRLZDRTLPZRT-QPSCCSFWSA-N 2 0 281.444 1.515 10 0 CDAERP CC(C)[NH2+]CCN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000193441497 391460949 /nfs/dbraw/zinc/46/09/49/391460949.db2.gz YXWHCQIDCCIFKA-INIZCTEOSA-N 2 0 282.476 1.086 10 0 CDAERP C[NH+](C)C[C@@H]1CCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)C1 ZINC000418426336 391513525 /nfs/dbraw/zinc/51/35/25/391513525.db2.gz JQJXZKLUJFRZIP-DZGCQCFKSA-N 2 0 290.411 1.280 10 0 CDAERP CC[C@H]([NH3+])CNC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000418697574 391529283 /nfs/dbraw/zinc/52/92/83/391529283.db2.gz LXCFLSRJGKLPOB-RWMBFGLXSA-N 2 0 270.421 1.095 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000417827387 391491391 /nfs/dbraw/zinc/49/13/91/391491391.db2.gz FUHFQHQRNNLUAO-BDAKNGLRSA-N 2 0 281.322 1.161 10 0 CDAERP C[C@@H]1CN(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)CC[NH2+]1 ZINC000417537510 391645480 /nfs/dbraw/zinc/64/54/80/391645480.db2.gz SKOGKDRAZQUYDF-MGPQQGTHSA-N 2 0 282.432 1.253 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CC(C)(C)[NH3+] ZINC000094446944 391717820 /nfs/dbraw/zinc/71/78/20/391717820.db2.gz XELBCHOTPHOTLP-VXGBXAGGSA-N 2 0 253.390 1.199 10 0 CDAERP C[C@H]1C[C@H]1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415062077 391740222 /nfs/dbraw/zinc/74/02/22/391740222.db2.gz ZNYOFDCBEAPEBJ-HESLUPGFSA-N 2 0 251.418 1.448 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000415023252 391727325 /nfs/dbraw/zinc/72/73/25/391727325.db2.gz WJTMTROBVNBTEQ-NXEZZACHSA-N 2 0 250.371 1.759 10 0 CDAERP C([NH2+]C1CCC([NH+]2CCNCC2)CC1)[C@H]1CCCOC1 ZINC000415048293 391737068 /nfs/dbraw/zinc/73/70/68/391737068.db2.gz GBRDMTLQHWXCGK-QQFBHYJXSA-N 2 0 281.444 1.219 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000418195548 391803336 /nfs/dbraw/zinc/80/33/36/391803336.db2.gz BTYWVGKWGQJFBO-MELADBBJSA-N 2 0 284.448 1.404 10 0 CDAERP C[C@@H]([NH3+])c1ccc(NC(=O)COC2(C)C[NH2+]C2)cc1 ZINC000647840222 391827112 /nfs/dbraw/zinc/82/71/12/391827112.db2.gz WCVAKKSNNNORMR-SNVBAGLBSA-N 2 0 263.341 1.023 10 0 CDAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](N[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000246282917 391845881 /nfs/dbraw/zinc/84/58/81/391845881.db2.gz TWYFHEJZMSZCBQ-BARDWOONSA-N 2 0 253.434 1.787 10 0 CDAERP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C(C)C)C2)CC1 ZINC000438485387 391929041 /nfs/dbraw/zinc/92/90/41/391929041.db2.gz DLWCHJJLTOWIOT-AWEZNQCLSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC2(O)CCCCC2)CC1 ZINC000069697942 391994702 /nfs/dbraw/zinc/99/47/02/391994702.db2.gz ZFFDFYVJZHUWPS-OAHLLOKOSA-N 2 0 298.471 1.706 10 0 CDAERP CC(C)COCC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646106627 392016657 /nfs/dbraw/zinc/01/66/57/392016657.db2.gz HHTOGFUHWXNKFB-UHFFFAOYSA-N 2 0 270.417 1.456 10 0 CDAERP [NH3+][C@H](C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)C1CCC1 ZINC000649319020 392011238 /nfs/dbraw/zinc/01/12/38/392011238.db2.gz ASFHOXPEOYLFCW-ZDUSSCGKSA-N 2 0 271.324 1.333 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000646105731 392011908 /nfs/dbraw/zinc/01/19/08/392011908.db2.gz FOOMVLMVKLNDQN-GDBMZVCRSA-N 2 0 289.423 1.847 10 0 CDAERP COCCCCC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104557 392012930 /nfs/dbraw/zinc/01/29/30/392012930.db2.gz QKJWSHRAZKRGTP-UHFFFAOYSA-N 2 0 270.417 1.600 10 0 CDAERP CC1(C)CN(C(=O)[C@@]2(C)CCCC[NH2+]2)CC[C@@H]1[NH3+] ZINC000261750782 392020432 /nfs/dbraw/zinc/02/04/32/392020432.db2.gz FEXNUEKKGMGMFT-SMDDNHRTSA-N 2 0 253.390 1.104 10 0 CDAERP Cc1cnn(CC[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000336785280 392057983 /nfs/dbraw/zinc/05/79/83/392057983.db2.gz CKXQBZURQCDNBX-AWEZNQCLSA-N 2 0 250.390 1.465 10 0 CDAERP CC(C)[C@H](O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000336788179 392062861 /nfs/dbraw/zinc/06/28/61/392062861.db2.gz OLGRLMLYBWYAQV-LSDHHAIUSA-N 2 0 254.418 1.954 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H](CO)Cc1ccc(F)c(F)c1 ZINC000423068620 392314865 /nfs/dbraw/zinc/31/48/65/392314865.db2.gz CHURXEHTBLUIGY-GLQYFDAESA-N 2 0 284.350 1.585 10 0 CDAERP CN(CC[NH+](C)C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000442243694 392253264 /nfs/dbraw/zinc/25/32/64/392253264.db2.gz WJVFBBVXHBXNHH-UHFFFAOYSA-N 2 0 284.448 1.310 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000423075187 392318360 /nfs/dbraw/zinc/31/83/60/392318360.db2.gz OAMWSCBEYODHIP-UKRRQHHQSA-N 2 0 269.433 1.347 10 0 CDAERP Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])C2)n(C)n1 ZINC000423076675 392320882 /nfs/dbraw/zinc/32/08/82/392320882.db2.gz RQWOHYOXGHNTRR-OBJOEFQTSA-N 2 0 279.432 1.413 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000423098340 392343277 /nfs/dbraw/zinc/34/32/77/392343277.db2.gz KKXCCIOJKKCSCB-XJFOESAGSA-N 2 0 258.406 1.534 10 0 CDAERP O=C(N[C@H]1CC[NH2+]C12CCC2)N1CC[NH+](CC2CC2)CC1 ZINC000529364600 392364581 /nfs/dbraw/zinc/36/45/81/392364581.db2.gz IEGCEHGHMQILCM-AWEZNQCLSA-N 2 0 292.427 1.008 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)NC(C)(C)C[NH+](C)C)CC1 ZINC000458135497 392378344 /nfs/dbraw/zinc/37/83/44/392378344.db2.gz SIFDPOZFGUSWTO-UHFFFAOYSA-N 2 0 298.475 1.748 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCC[NH+](C)C1 ZINC000458165509 392396487 /nfs/dbraw/zinc/39/64/87/392396487.db2.gz KZBCQAUKGNZIHT-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H](NCc1ccc2c[nH+]cn2c1)[C@@H]1CCCC[NH2+]1 ZINC000423171302 392410450 /nfs/dbraw/zinc/41/04/50/392410450.db2.gz OAMDPEISHOQGPP-WFASDCNBSA-N 2 0 258.369 1.955 10 0 CDAERP CCCC[C@@H](CC)C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000568218788 392417263 /nfs/dbraw/zinc/41/72/63/392417263.db2.gz BLIMCKXUDDUUSO-CVEARBPZSA-N 2 0 285.476 1.401 10 0 CDAERP [NH3+]CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423195276 392433463 /nfs/dbraw/zinc/43/34/63/392433463.db2.gz ZELNFPPWXFXCNF-PHZGNYQRSA-N 2 0 259.397 1.730 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1COc2ccccc2C1 ZINC000336889781 392442339 /nfs/dbraw/zinc/44/23/39/392442339.db2.gz GOICZHJAXICTAL-UONOGXRCSA-N 2 0 264.369 1.334 10 0 CDAERP CC[C@@H]([NH2+]C1CCC(C[NH3+])CC1)[C@H](O)C(F)F ZINC000423159718 392397673 /nfs/dbraw/zinc/39/76/73/392397673.db2.gz PWEBWYCQKDQDKT-LXKPXOPUSA-N 2 0 250.333 1.498 10 0 CDAERP CC[NH+](CC)CC(=O)NC[C@@H]([NH3+])c1ccccc1OC ZINC000646604249 392590550 /nfs/dbraw/zinc/59/05/50/392590550.db2.gz ZDJZBYOTGGQEHO-CYBMUJFWSA-N 2 0 279.384 1.153 10 0 CDAERP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1C[C@H](C)CC[NH2+]1)CC2 ZINC000423773596 392691137 /nfs/dbraw/zinc/69/11/37/392691137.db2.gz JUGYFGYXEBAXGO-WCVJEAGWSA-N 2 0 293.455 1.848 10 0 CDAERP C[C@@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)[NH+](C)C ZINC000459042125 392890265 /nfs/dbraw/zinc/89/02/65/392890265.db2.gz OPTGCUASOXDADR-FRRDWIJNSA-N 2 0 270.421 1.061 10 0 CDAERP CCC[C@H](C)[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000187682456 393000178 /nfs/dbraw/zinc/00/01/78/393000178.db2.gz BKKWNJWPYMYJOT-DLBZAZTESA-N 2 0 297.487 1.902 10 0 CDAERP CC(C)C[C@H]([NH2+][C@@H]1C[C@@H](C)[C@H]1C)C(=O)NCC[NH+](C)C ZINC000494803875 393108390 /nfs/dbraw/zinc/10/83/90/393108390.db2.gz JJWBWNKRTBEPHO-TUVASFSCSA-N 2 0 283.460 1.713 10 0 CDAERP C[C@@H]1CC[C@@](CO)([N@H+](C)CC[C@@H]2CCC[NH+]2C)C1 ZINC000495211259 393208140 /nfs/dbraw/zinc/20/81/40/393208140.db2.gz IAQGISGMZFIOHH-QLFBSQMISA-N 2 0 254.418 1.954 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000645951181 393426837 /nfs/dbraw/zinc/42/68/37/393426837.db2.gz HNSHQPXEOGCCAZ-FRRDWIJNSA-N 2 0 267.417 1.364 10 0 CDAERP Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656153296 413061472 /nfs/dbraw/zinc/06/14/72/413061472.db2.gz OARVVJUOJSYNKM-XHSDSOJGSA-N 2 0 292.423 1.665 10 0 CDAERP C[C@H](C[NH2+]C1CC(CF)(CF)C1)CN1CC[NH+](C)CC1 ZINC000657868973 413065085 /nfs/dbraw/zinc/06/50/85/413065085.db2.gz FDFSEASDQJBMEE-CYBMUJFWSA-N 2 0 289.414 1.547 10 0 CDAERP O=C(C[C@H]1CCC[NH2+]1)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000167778192 139935064 /nfs/dbraw/zinc/93/50/64/139935064.db2.gz BOQPPKQRYDCMKA-HUUCEWRRSA-N 2 0 279.428 1.605 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCCn1cnc2ccccc21 ZINC000234783914 140232370 /nfs/dbraw/zinc/23/23/70/140232370.db2.gz XURGEMZNMJILNR-AWEZNQCLSA-N 2 0 290.411 1.770 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C[NH2+]CC1CC1 ZINC000251658234 140311623 /nfs/dbraw/zinc/31/16/23/140311623.db2.gz GTLRUYBQGBEQAR-OCCSQVGLSA-N 2 0 265.401 1.071 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000261630293 140365592 /nfs/dbraw/zinc/36/55/92/140365592.db2.gz BDSXCFMJUGXCIF-XGUBFFRZSA-N 2 0 281.444 1.754 10 0 CDAERP Cc1noc([C@H]2CCCN(C[C@]3(C)CC[NH2+]C3)C2)n1 ZINC000261689491 140375156 /nfs/dbraw/zinc/37/51/56/140375156.db2.gz AZWYRRUFGBSBFQ-GXTWGEPZSA-N 2 0 264.373 1.557 10 0 CDAERP CC1(C)CN(C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC[C@H]1[NH3+] ZINC000261698596 140376528 /nfs/dbraw/zinc/37/65/28/140376528.db2.gz BHWOZICHNRYKDP-HZSPNIEDSA-N 2 0 281.444 1.870 10 0 CDAERP C[N@H+](CCNC(=O)CC[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000261732185 140381745 /nfs/dbraw/zinc/38/17/45/140381745.db2.gz FZKQSGWEPIFXIX-AWEZNQCLSA-N 2 0 281.444 1.757 10 0 CDAERP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000261764850 140387084 /nfs/dbraw/zinc/38/70/84/140387084.db2.gz FLZYDSSPADUIMB-MCIONIFRSA-N 2 0 297.443 1.119 10 0 CDAERP Cc1ccc(CNC(=O)CN2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261813495 140392826 /nfs/dbraw/zinc/39/28/26/140392826.db2.gz ZZTDQRNVDRLVSO-HNNXBMFYSA-N 2 0 289.423 1.670 10 0 CDAERP COC[C@H](CC1CCOCC1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000657939032 413100562 /nfs/dbraw/zinc/10/05/62/413100562.db2.gz TZFKTVXHQDQDMJ-INIZCTEOSA-N 2 0 282.428 1.670 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000662586742 413155884 /nfs/dbraw/zinc/15/58/84/413155884.db2.gz YRFRERKFBYVNQH-IUCAKERBSA-N 2 0 269.311 1.003 10 0 CDAERP CO[C@@H](C)[C@@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658067407 413166631 /nfs/dbraw/zinc/16/66/31/413166631.db2.gz NJURKYALNTYNTG-KGLIPLIRSA-N 2 0 284.444 1.890 10 0 CDAERP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)[C@@H]1CCOC1 ZINC000658067180 413167095 /nfs/dbraw/zinc/16/70/95/413167095.db2.gz LJYIFQZVSGOVND-GOEBONIOSA-N 2 0 296.455 1.892 10 0 CDAERP CCC[C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)[NH+](C)C ZINC000245900440 397673539 /nfs/dbraw/zinc/67/35/39/397673539.db2.gz UAPDRUQIKXVWKJ-SOUVJXGZSA-N 2 0 281.444 1.659 10 0 CDAERP C[C@@H](CC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)n1ccnc1 ZINC000649765221 397943693 /nfs/dbraw/zinc/94/36/93/397943693.db2.gz CRYZBOKKHIZFCE-RDBSUJKOSA-N 2 0 278.400 1.775 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000390757009 397979328 /nfs/dbraw/zinc/97/93/28/397979328.db2.gz WXLNBAGSMLQDDU-GDBMZVCRSA-N 2 0 291.439 1.997 10 0 CDAERP C[C@H](CC(=O)N[C@H]1CCC[N@H+](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000211109134 398126771 /nfs/dbraw/zinc/12/67/71/398126771.db2.gz BXXBGGJHTRSNAF-MCIONIFRSA-N 2 0 267.417 1.223 10 0 CDAERP CC[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1ccn(C)n1 ZINC000658105857 413204153 /nfs/dbraw/zinc/20/41/53/413204153.db2.gz FEGGNGVRFHDPKO-LSDHHAIUSA-N 2 0 295.475 1.733 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CCn2ccnc21 ZINC000658105697 413204868 /nfs/dbraw/zinc/20/48/68/413204868.db2.gz CPEQFCBXBUIEDR-UONOGXRCSA-N 2 0 279.432 1.190 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000658110052 413209726 /nfs/dbraw/zinc/20/97/26/413209726.db2.gz ZOHSRCHEFZCGGM-ZNMIVQPWSA-N 2 0 293.459 1.751 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)C[C@@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC000178816040 148091585 /nfs/dbraw/zinc/09/15/85/148091585.db2.gz FDTJQVVYLAXUDD-AGIUHOORSA-N 2 0 253.390 1.070 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322925611 483553628 /nfs/dbraw/zinc/55/36/28/483553628.db2.gz NDMXVIOJWRYTFO-WVMKXHBISA-N 2 0 253.390 1.101 10 0 CDAERP CO[C@@H](C)C[NH2+]CCN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001664187204 1172821628 /nfs/dbraw/zinc/82/16/28/1172821628.db2.gz XADRYRJXKGQKJH-ZDUSSCGKSA-N 2 0 287.448 1.047 10 0 CDAERP [NH3+]CCOc1ccc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000262286954 149047441 /nfs/dbraw/zinc/04/74/41/149047441.db2.gz MRKGNMRXZWQOEM-MNOVXSKESA-N 2 0 263.341 1.090 10 0 CDAERP CC1=CC[N@H+](CCNC(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)CC1 ZINC000335186519 150384663 /nfs/dbraw/zinc/38/46/63/150384663.db2.gz KAHWSOBMXHEAPP-KBPBESRZSA-N 2 0 280.416 1.030 10 0 CDAERP CC[N@@H+]1C[C@@H](C)N(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC000336100171 151267503 /nfs/dbraw/zinc/26/75/03/151267503.db2.gz CNZJSDKWKGRTBH-ZIAGYGMSSA-N 2 0 281.444 1.659 10 0 CDAERP COCC1(C[NH2+][C@H](C)Cc2ccoc2)CC[NH2+]CC1 ZINC000423404579 292249071 /nfs/dbraw/zinc/24/90/71/292249071.db2.gz IXDYIGZASMBAIG-CYBMUJFWSA-N 2 0 266.385 1.816 10 0 CDAERP C[C@@H]1C[N@H+](C)C[C@H]1NCCC[NH+]1CCC(C)CC1 ZINC000343078275 152023596 /nfs/dbraw/zinc/02/35/96/152023596.db2.gz DNXVKZUSWFSFGX-HUUCEWRRSA-N 2 0 253.434 1.648 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662660823 413266459 /nfs/dbraw/zinc/26/64/59/413266459.db2.gz HFWAGRXEPHPTNI-CYBMUJFWSA-N 2 0 265.401 1.262 10 0 CDAERP CC[NH+](CC)CCn1cc(C[C@H]2CCC[NH2+]C2)nn1 ZINC000656439067 413266933 /nfs/dbraw/zinc/26/69/33/413266933.db2.gz KIDBQSADVPVSGZ-CYBMUJFWSA-N 2 0 265.405 1.162 10 0 CDAERP CC[C@@H]1C[C@H](C[N@H+](C)CCCN2CC[NH+](C)CC2)CCO1 ZINC000349292612 154082423 /nfs/dbraw/zinc/08/24/23/154082423.db2.gz CZEQZUSKAFDSNF-IAGOWNOFSA-N 2 0 297.487 1.761 10 0 CDAERP CCC[C@@H](C(=O)NCCC1CC[NH+](CC)CC1)[NH+](C)C ZINC000162300793 292822051 /nfs/dbraw/zinc/82/20/51/292822051.db2.gz CPLUHINFDSDWKK-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)C[C@@H]([NH3+])C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000662688429 413316167 /nfs/dbraw/zinc/31/61/67/413316167.db2.gz PDGZXVYWYGBPFV-HUUCEWRRSA-N 2 0 291.395 1.659 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]CCc2cc(C)no2)[C@@H](C)C1 ZINC000353948859 156176689 /nfs/dbraw/zinc/17/66/89/156176689.db2.gz XUCJRLIFHMQWFA-FZMZJTMJSA-N 2 0 251.374 1.845 10 0 CDAERP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)CC2([NH3+])CC2)C1 ZINC000662696751 413331456 /nfs/dbraw/zinc/33/14/56/413331456.db2.gz UBJUDQIVKFBZTA-DZGCQCFKSA-N 2 0 287.407 1.820 10 0 CDAERP CC[C@H]1C[C@H](C[NH2+]CC2(O)CC[NH+](C)CC2)CCO1 ZINC000355674686 157180031 /nfs/dbraw/zinc/18/00/31/157180031.db2.gz RCHMPBDYRBYXML-KGLIPLIRSA-N 2 0 270.417 1.238 10 0 CDAERP [NH3+][C@H](CCC(=O)NCC12CC(C1)C[NH2+]2)CC1CCCCC1 ZINC000662717577 413374091 /nfs/dbraw/zinc/37/40/91/413374091.db2.gz PJQOCXMGVSHSKC-ISXOHVOVSA-N 2 0 293.455 1.933 10 0 CDAERP C[C@@H](NC(=O)C1([NH3+])CC2(CCC2)C1)C(C)(C)C[NH+](C)C ZINC000662744341 413417168 /nfs/dbraw/zinc/41/71/68/413417168.db2.gz COCIUOSKWICYRV-GFCCVEGCSA-N 2 0 281.444 1.741 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)CC2([NH3+])CC2)[C@@H](C)C1 ZINC000662745786 413421154 /nfs/dbraw/zinc/42/11/54/413421154.db2.gz OITUFWYZILOZMD-RYUDHWBXSA-N 2 0 253.390 1.057 10 0 CDAERP C[C@@H](N[C@H](Cc1ccccc1)C[NH+](C)C)[C@H]1CCC[NH2+]1 ZINC000422720838 287065007 /nfs/dbraw/zinc/06/50/07/287065007.db2.gz TZYHHWSMWATITF-DJIMGWMZSA-N 2 0 275.440 1.889 10 0 CDAERP C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000344455210 165068803 /nfs/dbraw/zinc/06/88/03/165068803.db2.gz XAASGDXLHBARGL-WBMJQRKESA-N 2 0 279.403 1.927 10 0 CDAERP CCC[NH+]1CCN([C@H]2C[C@H](CC)CC[C@@H]2[NH3+])CC1 ZINC000023068579 171409445 /nfs/dbraw/zinc/40/94/45/171409445.db2.gz FIWACAXTQHFSQB-ILXRZTDVSA-N 2 0 253.434 1.920 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000653176274 412116481 /nfs/dbraw/zinc/11/64/81/412116481.db2.gz OPERBXCEUSYVQS-CYBMUJFWSA-N 2 0 287.473 1.176 10 0 CDAERP CCC(CC)(C[NH3+])C(=O)NCCC[N@H+](C)CC(C)C ZINC000653176515 412117462 /nfs/dbraw/zinc/11/74/62/412117462.db2.gz XFBIBJZVUKEKRI-UHFFFAOYSA-N 2 0 271.449 1.846 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000653193270 412126129 /nfs/dbraw/zinc/12/61/29/412126129.db2.gz LLKUBLMGVWAIGK-XEZPLFJOSA-N 2 0 279.428 1.352 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000662788027 413501700 /nfs/dbraw/zinc/50/17/00/413501700.db2.gz GEEWEQBISAORPD-UHFFFAOYSA-N 2 0 293.455 1.898 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000660822660 413521125 /nfs/dbraw/zinc/52/11/25/413521125.db2.gz OZHOWUFFBPSSKC-ZIAGYGMSSA-N 2 0 298.475 1.889 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)C[NH2+]CC[C@]1(C)CC1(F)F ZINC000656714991 413590481 /nfs/dbraw/zinc/59/04/81/413590481.db2.gz POIIXEBTRWFSFM-VXGBXAGGSA-N 2 0 264.360 1.713 10 0 CDAERP CC(C)[C@H]([NH2+]C[C@H](O)C[N@H+](C)C(C)C)C1(CO)CC=CC1 ZINC000660901657 413633698 /nfs/dbraw/zinc/63/36/98/413633698.db2.gz IRDCUCLYDRCADX-HOTGVXAUSA-N 2 0 298.471 1.630 10 0 CDAERP [NH3+]C1(CC(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000662878604 413646917 /nfs/dbraw/zinc/64/69/17/413646917.db2.gz WKQZZAXLYVSYJR-ZDUSSCGKSA-N 2 0 275.352 1.167 10 0 CDAERP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)[C@H]1CCCC[NH2+]1 ZINC000662885533 413653805 /nfs/dbraw/zinc/65/38/05/413653805.db2.gz RZGKHEJWKNPXSU-HUUCEWRRSA-N 2 0 289.379 1.428 10 0 CDAERP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)CC1([NH3+])CC1 ZINC000662886869 413655558 /nfs/dbraw/zinc/65/55/58/413655558.db2.gz PLXNIGLONUFPCC-GFCCVEGCSA-N 2 0 253.390 1.104 10 0 CDAERP [NH3+]CC1(CNc2ccc([C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000656793610 413661287 /nfs/dbraw/zinc/66/12/87/413661287.db2.gz VGJAOPJOPURFAF-AWEZNQCLSA-N 2 0 261.369 1.498 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000664719131 413616693 /nfs/dbraw/zinc/61/66/93/413616693.db2.gz OCGVCICKKVBWAL-IUODEOHRSA-N 2 0 267.417 1.223 10 0 CDAERP CC[C@]1(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CCC[NH2+]1 ZINC000662971468 413761637 /nfs/dbraw/zinc/76/16/37/413761637.db2.gz AJMUOLZCQTUOAP-GOEBONIOSA-N 2 0 297.443 1.088 10 0 CDAERP CCN(C(=O)NCC[C@@H]1CCC[NH+](C)C1)[C@H]1CC[N@H+](C)C1 ZINC000665117349 413874542 /nfs/dbraw/zinc/87/45/42/413874542.db2.gz CQJBOTUMGLDMTQ-GJZGRUSLSA-N 2 0 296.459 1.454 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N(C)CC(C)(C)[NH3+] ZINC000659451244 413836618 /nfs/dbraw/zinc/83/66/18/413836618.db2.gz CVQXOEXYUGVJQP-BETUJISGSA-N 2 0 284.448 1.628 10 0 CDAERP CCCC[C@H](C[NH3+])NC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659523981 413922125 /nfs/dbraw/zinc/92/21/25/413922125.db2.gz OSOQYNCTXDMWPR-VXGBXAGGSA-N 2 0 258.410 1.177 10 0 CDAERP CC(C)[C@H]([NH3+])CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000665282471 414020687 /nfs/dbraw/zinc/02/06/87/414020687.db2.gz YZYMBFOLNBRGAH-YJNKXOJESA-N 2 0 253.434 1.822 10 0 CDAERP CC(=O)NCc1ccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000665234333 413959162 /nfs/dbraw/zinc/95/91/62/413959162.db2.gz BDNFOSGBKSYXOO-RYUDHWBXSA-N 2 0 263.385 1.538 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407422009 413959610 /nfs/dbraw/zinc/95/96/10/413959610.db2.gz LVDPANDLQZTOCO-ILXRZTDVSA-N 2 0 281.444 1.610 10 0 CDAERP Cc1ccncc1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000665238754 413967290 /nfs/dbraw/zinc/96/72/90/413967290.db2.gz CUUVVVSLHXASFM-OWCLPIDISA-N 2 0 259.397 1.910 10 0 CDAERP C[NH2+]C[C@@H](C)NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000659646974 414055756 /nfs/dbraw/zinc/05/57/56/414055756.db2.gz RCYDQZVCAVZSRP-KGLIPLIRSA-N 2 0 282.432 1.254 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)CCCC[NH3+])CC1 ZINC000665289087 414024312 /nfs/dbraw/zinc/02/43/12/414024312.db2.gz GCJFLCIASNCKNT-CQSZACIVSA-N 3 0 298.475 1.084 10 0 CDAERP CCn1cnnc1CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657366335 414229794 /nfs/dbraw/zinc/22/97/94/414229794.db2.gz LIZHTBJXAXLFRK-UHFFFAOYSA-N 2 0 297.366 1.211 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc3[nH]cnc3c2)C1 ZINC000655826031 414230723 /nfs/dbraw/zinc/23/07/23/414230723.db2.gz CZTZTGYHJILMLD-BETUJISGSA-N 2 0 258.369 1.993 10 0 CDAERP C(c1nc2c(s1)C[NH2+]CC2)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000663495308 414294381 /nfs/dbraw/zinc/29/43/81/414294381.db2.gz XBJJUZKORWPEDA-PHIMTYICSA-N 2 0 278.425 1.115 10 0 CDAERP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000663498677 414298667 /nfs/dbraw/zinc/29/86/67/414298667.db2.gz RKNZQAMATDHFGG-CQSZACIVSA-N 2 0 277.416 1.540 10 0 CDAERP C[C@H]1C[C@H]([NH3+])CCN1Cc1nc2c(s1)C[NH2+]CC2 ZINC000663498765 414299008 /nfs/dbraw/zinc/29/90/08/414299008.db2.gz UAFANEMAAACKPL-VHSXEESVSA-N 2 0 266.414 1.100 10 0 CDAERP CC(C)NC(=O)[C@@H]1CCC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000663504241 414304832 /nfs/dbraw/zinc/30/48/32/414304832.db2.gz WRMCLALSBDEPDJ-HIFRSBDPSA-N 2 0 267.417 1.223 10 0 CDAERP CC[C@@H]([NH2+]Cc1cnc2n1CCC2)[C@H](O)C(F)F ZINC000657477881 414375153 /nfs/dbraw/zinc/37/51/53/414375153.db2.gz CWWKFCKJIIAKRW-KOLCDFICSA-N 2 0 259.300 1.324 10 0 CDAERP OCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657441222 414332289 /nfs/dbraw/zinc/33/22/89/414332289.db2.gz SGXVWDCZGLESOJ-BBRMVZONSA-N 2 0 286.379 1.908 10 0 CDAERP CC[NH+](CC)CCC[C@H](C)[NH2+]C[C@H](O)COCC1CC1 ZINC000037853163 173805025 /nfs/dbraw/zinc/80/50/25/173805025.db2.gz BJRZQMRWHULFHU-HOCLYGCPSA-N 2 0 286.460 1.874 10 0 CDAERP C([C@@H]1CCCO1)[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CCCC1 ZINC000662258413 414594988 /nfs/dbraw/zinc/59/49/88/414594988.db2.gz XDRGHQZQPVUEJN-HOTGVXAUSA-N 2 0 294.439 1.931 10 0 CDAERP CO[C@@H](C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)C1CCCC1 ZINC000662267566 414601718 /nfs/dbraw/zinc/60/17/18/414601718.db2.gz WWSRWVAGFNNKRO-LSDHHAIUSA-N 2 0 252.402 1.877 10 0 CDAERP CC[NH+](CC)CCCC1CC[NH+](C[C@H]2CNCCO2)CC1 ZINC000662278646 414608760 /nfs/dbraw/zinc/60/87/60/414608760.db2.gz JHHDBURNAWJNTF-QGZVFWFLSA-N 2 0 297.487 1.809 10 0 CDAERP COC[C@H](C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)OC ZINC000662284367 414614822 /nfs/dbraw/zinc/61/48/22/414614822.db2.gz VRVKKOKBFVPOBI-OLZOCXBDSA-N 2 0 256.390 1.112 10 0 CDAERP O=C(CC[N@@H+]1CCCC2(CCCC2)CC1)N1CC[NH2+]CC1 ZINC000662299712 414626296 /nfs/dbraw/zinc/62/62/96/414626296.db2.gz VWAYOKUWFHYHPR-UHFFFAOYSA-N 2 0 293.455 1.855 10 0 CDAERP CO[C@H](CN1CCO[C@@H]([C@H](C)[NH3+])C1)C1CCCCC1 ZINC000662247601 414582985 /nfs/dbraw/zinc/58/29/85/414582985.db2.gz GPUXWPWVGFEHKK-NWANDNLSSA-N 2 0 270.417 1.630 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000040468688 174276956 /nfs/dbraw/zinc/27/69/56/174276956.db2.gz FFASJGGHTOGQTC-GFCCVEGCSA-N 2 0 257.422 1.406 10 0 CDAERP COC(C)(C)C[C@H](C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508169 174303508 /nfs/dbraw/zinc/30/35/08/174303508.db2.gz HVQSUJVCTCQOMI-UONOGXRCSA-N 2 0 297.443 1.086 10 0 CDAERP CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000040624595 174356664 /nfs/dbraw/zinc/35/66/64/174356664.db2.gz FZEUIJTVWHENTI-CHWSQXEVSA-N 2 0 255.406 1.350 10 0 CDAERP O=C(NCC[NH+]1CCCCCC1)[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000040768220 174398878 /nfs/dbraw/zinc/39/88/78/174398878.db2.gz JRMCRPHIFIYTJA-OWCLPIDISA-N 2 0 293.455 1.899 10 0 CDAERP C[NH+]1CCC(OC(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000041018882 174451483 /nfs/dbraw/zinc/45/14/83/174451483.db2.gz SEISZQUJWQSZCD-CQSZACIVSA-N 2 0 262.353 1.714 10 0 CDAERP CSCC[C@@H](C[NH3+])N1CCC(C[NH+](C)C)CC1 ZINC000042391975 174706831 /nfs/dbraw/zinc/70/68/31/174706831.db2.gz IKRTWUJSAOZFFC-ZDUSSCGKSA-N 2 0 259.463 1.340 10 0 CDAERP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]CCC[NH3+])C1 ZINC000043327086 175008881 /nfs/dbraw/zinc/00/88/81/175008881.db2.gz IDDQLMSJIABQQD-LLVKDONJSA-N 2 0 257.378 1.324 10 0 CDAERP CC(C)[NH+]1CCN([C@@H](c2ccco2)[C@@H](C)[NH3+])CC1 ZINC000043335145 175011513 /nfs/dbraw/zinc/01/15/13/175011513.db2.gz YXKUJVPLSUJHNH-TZMCWYRMSA-N 2 0 251.374 1.694 10 0 CDAERP CC[C@@H]([NH3+])[C@H](c1cccnc1)N1CC[NH+](CC2CC2)CC1 ZINC000043347677 175018034 /nfs/dbraw/zinc/01/80/34/175018034.db2.gz MAIMTIBGOMNIAP-SJORKVTESA-N 2 0 288.439 1.888 10 0 CDAERP CC(C)[NH+]1CCN([C@H](c2ccncc2)[C@H](C)[NH3+])CC1 ZINC000043353680 175020931 /nfs/dbraw/zinc/02/09/31/175020931.db2.gz CHWBOXVCMFCUCG-ZFWWWQNUSA-N 2 0 262.401 1.496 10 0 CDAERP C[NH2+][C@@H]1c2ccc(OC)cc2CC[C@H]1N1CC[NH+](C)CC1 ZINC000043810610 175109399 /nfs/dbraw/zinc/10/93/99/175109399.db2.gz GWHBUCVTZPLUCJ-IAGOWNOFSA-N 2 0 289.423 1.518 10 0 CDAERP CCCOc1ccc([C@@H](CN2CC[NH+](C)CC2)[NH2+]C)cc1 ZINC000043810536 175109607 /nfs/dbraw/zinc/10/96/07/175109607.db2.gz ASJZQMIESNXSDL-QGZVFWFLSA-N 2 0 291.439 1.983 10 0 CDAERP C[NH2+][C@H](CN1CCC[N@H+](C)CC1)c1ccc(C)cc1 ZINC000043818032 175112829 /nfs/dbraw/zinc/11/28/29/175112829.db2.gz KZXOXIGOYRCUHV-MRXNPFEDSA-N 2 0 261.413 1.893 10 0 CDAERP C[NH2+][C@@H]1CCCCCC[C@H]1N1CCC[N@H+](C)CC1 ZINC000043818081 175113267 /nfs/dbraw/zinc/11/32/67/175113267.db2.gz PMLSNVYIPBGHJD-HUUCEWRRSA-N 2 0 253.434 1.935 10 0 CDAERP C[NH2+][C@H]1CCCCC[C@@H]1N1CC[NH+](C(C)C)CC1 ZINC000043896891 175120199 /nfs/dbraw/zinc/12/01/99/175120199.db2.gz NWKHQOYVMZMYPS-GJZGRUSLSA-N 2 0 253.434 1.933 10 0 CDAERP C[NH2+][C@@H]1CCCCC[C@@H]1N1CC[NH+](CC2CC2)CC1 ZINC000043967840 175128903 /nfs/dbraw/zinc/12/89/03/175128903.db2.gz FRTGXUXFMVFCTQ-CVEARBPZSA-N 2 0 265.445 1.935 10 0 CDAERP CCC[NH2+][C@@H]1CCC[C@H]1N(CCOC)[C@@H](C)COC ZINC000043976028 175132913 /nfs/dbraw/zinc/13/29/13/175132913.db2.gz FLHKDLWAEZWITG-RRFJBIMHSA-N 2 0 272.433 1.890 10 0 CDAERP CCC[NH2+][C@H]1CCN(CC2CC[NH+](CC)CC2)C1 ZINC000044518836 175191487 /nfs/dbraw/zinc/19/14/87/175191487.db2.gz QAIVPPDWPUBKAA-HNNXBMFYSA-N 2 0 253.434 1.792 10 0 CDAERP C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000044532484 175196257 /nfs/dbraw/zinc/19/62/57/175196257.db2.gz NFFGHIDHIUGRFP-CYBMUJFWSA-N 2 0 261.369 1.217 10 0 CDAERP C[N@@H+]1CCC[C@@H](C[NH2+]CCCOCC(F)(F)F)C1 ZINC000044536215 175198886 /nfs/dbraw/zinc/19/88/86/175198886.db2.gz IPKADSCSSTVCNF-NSHDSACASA-N 2 0 268.323 1.887 10 0 CDAERP CCC[NH2+]CC(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000044649623 175224391 /nfs/dbraw/zinc/22/43/91/175224391.db2.gz STFSENLGUGRWMK-UHFFFAOYSA-N 2 0 279.384 1.565 10 0 CDAERP CCCC(C[NH3+])(CCC)C(=O)NC1CC[NH+](C)CC1 ZINC000044800949 175255735 /nfs/dbraw/zinc/25/57/35/175255735.db2.gz SBJUBCREOVWLLG-UHFFFAOYSA-N 2 0 269.433 1.742 10 0 CDAERP CCCC(C[NH3+])(CCC)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000044803610 175256156 /nfs/dbraw/zinc/25/61/56/175256156.db2.gz DEAOGFIEGFJWRH-ZDUSSCGKSA-N 2 0 269.433 1.742 10 0 CDAERP C[C@@H]([NH3+])c1cccc(NC(=O)NC[C@@H](C)[NH+](C)C)c1 ZINC000045113999 175311089 /nfs/dbraw/zinc/31/10/89/175311089.db2.gz NILJUPQZSXKFOY-GHMZBOCLSA-N 2 0 264.373 1.778 10 0 CDAERP CS(=O)(=O)c1ccc(C[NH2+]CCC2CC[NH2+]CC2)cc1 ZINC000045174348 175322924 /nfs/dbraw/zinc/32/29/24/175322924.db2.gz IKYQQERBGJAHSQ-UHFFFAOYSA-N 2 0 296.436 1.569 10 0 CDAERP CCC[NH2+][C@](C)(CCCC[N@H+](C)CC(C)C)C(N)=O ZINC000045380891 175370310 /nfs/dbraw/zinc/37/03/10/175370310.db2.gz DCTGINDUPILTNU-OAHLLOKOSA-N 2 0 271.449 1.988 10 0 CDAERP CCC[NH2+][C@@](C)(CCCC[N@H+](C)C1CC1)C(N)=O ZINC000045383219 175370992 /nfs/dbraw/zinc/37/09/92/175370992.db2.gz ZSDBTCODJWSRIP-AWEZNQCLSA-N 2 0 255.406 1.495 10 0 CDAERP C[NH2+][C@@](C)(CCCC[N@H+](C)[C@@H](C)C(C)C)C(N)=O ZINC000045391975 175375661 /nfs/dbraw/zinc/37/56/61/175375661.db2.gz RYHONLWICKYHDD-JSGCOSHPSA-N 2 0 257.422 1.596 10 0 CDAERP CCOC(=O)[C@@](C)([NH3+])CCCN1CCC([NH+](C)C)CC1 ZINC000045392521 175375905 /nfs/dbraw/zinc/37/59/05/175375905.db2.gz WVPYYZZPBFHDSY-HNNXBMFYSA-N 2 0 285.432 1.073 10 0 CDAERP CCC[NH2+][C@@](C)(CCC[NH+]1CCC(OCC)CC1)C(N)=O ZINC000045420151 175378518 /nfs/dbraw/zinc/37/85/18/175378518.db2.gz PFWUSAQPNYRWSY-INIZCTEOSA-N 2 0 299.459 1.511 10 0 CDAERP CC[C@]1(C)C[C@](C[NH3+])(N2CC[NH+](CC(C)C)CC2)CCO1 ZINC000070365922 175895295 /nfs/dbraw/zinc/89/52/95/175895295.db2.gz YAEQHASJMWZRGJ-IAGOWNOFSA-N 2 0 297.487 1.937 10 0 CDAERP CCC[NH2+][C@@H]1CCCN(CC[NH+]2CCCCC2)C1=O ZINC000071032236 176022836 /nfs/dbraw/zinc/02/28/36/176022836.db2.gz UKEUHADVEWRCSC-CQSZACIVSA-N 2 0 267.417 1.463 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)N1CCC[C@@H]([NH2+]C2CC2)C1=O ZINC000071032019 176023047 /nfs/dbraw/zinc/02/30/47/176023047.db2.gz HTPYWTODASIVIN-HUUCEWRRSA-N 2 0 281.444 1.706 10 0 CDAERP CC[NH2+][C@H]1CCCN(C[C@H]2CCCC[N@@H+]2C)C1=O ZINC000071033672 176024246 /nfs/dbraw/zinc/02/42/46/176024246.db2.gz ZFSVUIKKZLFXGQ-OLZOCXBDSA-N 2 0 253.390 1.071 10 0 CDAERP CC[NH+](CC)C[C@@H](C)N1CC[C@@H]([NH2+]C(C)C)C1=O ZINC000071034707 176024701 /nfs/dbraw/zinc/02/47/01/176024701.db2.gz UTAIMKCHNAXIQZ-CHWSQXEVSA-N 2 0 255.406 1.316 10 0 CDAERP CCOc1ccc([C@H]([NH3+])CN(C)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000071188770 176063677 /nfs/dbraw/zinc/06/36/77/176063677.db2.gz HGDGHRDRLOGURD-RHSMWYFYSA-N 2 0 291.439 1.969 10 0 CDAERP CCC[NH2+][C@@H]1CCC[C@H]1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189022 176064737 /nfs/dbraw/zinc/06/47/37/176064737.db2.gz VEIJNGUMKDSNHV-RBSFLKMASA-N 2 0 253.434 1.791 10 0 CDAERP CC(C)[NH2+]Cc1cccc(N(C)C[C@H]2CC[N@H+](C)C2)n1 ZINC000071191767 176071359 /nfs/dbraw/zinc/07/13/59/176071359.db2.gz XWLMCSQDFUGVPE-AWEZNQCLSA-N 2 0 276.428 1.968 10 0 CDAERP C[C@H]([NH3+])c1cnc(N(C)C[C@@H]2CC[N@H+](C)C2)s1 ZINC000071192532 176074327 /nfs/dbraw/zinc/07/43/27/176074327.db2.gz WXJJSGTYCAXWTI-VHSXEESVSA-N 2 0 254.403 1.551 10 0 CDAERP CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1c[nH+]c(NN)c(Cl)c1 ZINC000071193215 176075108 /nfs/dbraw/zinc/07/51/08/176075108.db2.gz VHCOWHPHDGETEF-VIFPVBQESA-N 2 0 297.790 1.044 10 0 CDAERP CCC[NH2+][C@@H]1CCCN(C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000071197063 176076852 /nfs/dbraw/zinc/07/68/52/176076852.db2.gz DFDFMQZFTZTPIX-CABCVRRESA-N 2 0 253.434 1.935 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000071200581 176077878 /nfs/dbraw/zinc/07/78/78/176077878.db2.gz CRKPKWIYAAVFQA-GJZGRUSLSA-N 2 0 253.434 1.789 10 0 CDAERP CC(C)(O)C[NH+]1CCN(C[C@H]([NH3+])c2ccccc2)CC1 ZINC000071380768 176145105 /nfs/dbraw/zinc/14/51/05/176145105.db2.gz CAROMDLHORHOHL-HNNXBMFYSA-N 2 0 277.412 1.075 10 0 CDAERP CCC[C@@](C)(C[NH2+]CC)CN1CC[NH+](CC(C)(C)O)CC1 ZINC000071381818 176145868 /nfs/dbraw/zinc/14/58/68/176145868.db2.gz YZVVUIWBKHRVRO-KRWDZBQOSA-N 2 0 299.503 1.791 10 0 CDAERP [NH3+][C@@H]1CC[C@H](N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000071585798 176211927 /nfs/dbraw/zinc/21/19/27/176211927.db2.gz WCYJLBNPXNCUSG-CVEARBPZSA-N 2 0 259.397 1.684 10 0 CDAERP C[C@@H](NC(=O)N[C@@H](C)[C@H](C)[NH3+])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417984798 227388851 /nfs/dbraw/zinc/38/88/51/227388851.db2.gz DTLUDRLWZYKGJW-IGQOVBAYSA-N 2 0 296.459 1.674 10 0 CDAERP COCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001666630451 1173164215 /nfs/dbraw/zinc/16/42/15/1173164215.db2.gz WSICSDYCLKJSPP-LSDHHAIUSA-N 2 0 299.459 1.238 10 0 CDAERP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]CC2(F)CC2)C1 ZINC000526043010 260114511 /nfs/dbraw/zinc/11/45/11/260114511.db2.gz TVKRLKOUBUWURS-OAHLLOKOSA-N 2 0 278.371 1.845 10 0 CDAERP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662264289 423811449 /nfs/dbraw/zinc/81/14/49/423811449.db2.gz HVBXRETTWXYJCI-STQMWFEESA-N 3 0 259.397 1.501 10 0 CDAERP O=C([C@@H]1C[C@@]12CCC[NH2+]C2)N1CCC(c2c[nH]cn2)CC1 ZINC000655448575 423873771 /nfs/dbraw/zinc/87/37/71/423873771.db2.gz PXGDAYZEYQUPDQ-XJKSGUPXSA-N 2 0 288.395 1.505 10 0 CDAERP CC[C@@H]1CN(C(=O)NCCC[N@H+](C)CC(C)C)CC[C@@H]1[NH3+] ZINC000652224593 424082393 /nfs/dbraw/zinc/08/23/93/424082393.db2.gz CHSFEGBSFPWRPI-CABCVRRESA-N 2 0 298.475 1.733 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000652225461 424087325 /nfs/dbraw/zinc/08/73/25/424087325.db2.gz ZUQORYJAJNPMEQ-HUUCEWRRSA-N 2 0 298.475 1.733 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652233113 424107291 /nfs/dbraw/zinc/10/72/91/424107291.db2.gz NBAMRULYMGCRHW-CYBMUJFWSA-N 2 0 282.432 1.241 10 0 CDAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCCC1(C[NH3+])CC1 ZINC000652241282 424123186 /nfs/dbraw/zinc/12/31/86/424123186.db2.gz BXSAECMXTLGRCF-ZDUSSCGKSA-N 2 0 282.432 1.099 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC[C@]2(O)CCCOC2)[C@H]2CCC[C@H]21 ZINC000652326893 424242995 /nfs/dbraw/zinc/24/29/95/424242995.db2.gz OQBAZZCERIJGHE-QKPAOTATSA-N 2 0 282.428 1.380 10 0 CDAERP CC(C)([NH3+])CCC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000070087631 424278804 /nfs/dbraw/zinc/27/88/04/424278804.db2.gz NFWKNNDVOOOKJV-GFCCVEGCSA-N 2 0 253.390 1.201 10 0 CDAERP CCOCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652360974 424310751 /nfs/dbraw/zinc/31/07/51/424310751.db2.gz VLEJVDMVKJEIIE-MJBXVCDLSA-N 2 0 256.390 1.384 10 0 CDAERP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CCOCC(F)F)C1 ZINC000652363412 424314383 /nfs/dbraw/zinc/31/43/83/424314383.db2.gz DGWWAZRSLLSHTQ-JHJVBQTASA-N 2 0 292.370 1.629 10 0 CDAERP O=C(NCCC[C@@H]1CCC[NH2+]1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653145730 424374394 /nfs/dbraw/zinc/37/43/94/424374394.db2.gz HKLOXNUKIMLTCH-MJBXVCDLSA-N 2 0 265.401 1.165 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CC1([NH3+])CC1 ZINC000662696119 424332125 /nfs/dbraw/zinc/33/21/25/424332125.db2.gz SWVMZRQNKGSLQF-RYUDHWBXSA-N 2 0 253.390 1.104 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662713811 424365632 /nfs/dbraw/zinc/36/56/32/424365632.db2.gz ZEDZXLYCHFPFIT-LBPRGKRZSA-N 2 0 267.417 1.495 10 0 CDAERP CC[C@@H]1CN(C(=O)NCC[C@@H]([NH3+])C(C)C)CC[C@@H]1[NH3+] ZINC000659618587 424412688 /nfs/dbraw/zinc/41/26/88/424412688.db2.gz IZJTWFOUYOCHDH-UPJWGTAASA-N 2 0 270.421 1.129 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC[C@]1(C)CC1(F)F ZINC000665266922 424481805 /nfs/dbraw/zinc/48/18/05/424481805.db2.gz LWTLBWJOUJFBBU-FIQHERPVSA-N 2 0 262.344 1.764 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)CN1CCC(C)CC1 ZINC000665273280 424485561 /nfs/dbraw/zinc/48/55/61/424485561.db2.gz SWCOQZMBVHCSRB-HUUCEWRRSA-N 2 0 271.449 1.450 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000655489272 424507952 /nfs/dbraw/zinc/50/79/52/424507952.db2.gz NVFBSFTYOOYFNY-LXTVHRRPSA-N 2 0 281.444 1.741 10 0 CDAERP CC(C)[NH+]1CCN(CCC[NH2+][C@H]2C[C@@H](O)C23CCC3)CC1 ZINC000661832195 424614682 /nfs/dbraw/zinc/61/46/82/424614682.db2.gz YMZQNKIXGKUIPY-JKSUJKDBSA-N 2 0 295.471 1.296 10 0 CDAERP [NH3+]C[C@@H](NC(=O)CC[C@H]([NH3+])c1ccccc1)C(F)(F)F ZINC000655505154 424666882 /nfs/dbraw/zinc/66/68/82/424666882.db2.gz QHCRJBFGDCGKQS-WDEREUQCSA-N 2 0 289.301 1.472 10 0 CDAERP Cn1cnc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000313254100 270323779 /nfs/dbraw/zinc/32/37/79/270323779.db2.gz NZUPTZJNQSXKES-BZUAXINKSA-N 2 0 276.428 1.863 10 0 CDAERP C(C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1)OCC1CC1 ZINC000530243074 271178574 /nfs/dbraw/zinc/17/85/74/271178574.db2.gz VQMBWAAJNNHGKT-MRXNPFEDSA-N 2 0 282.428 1.504 10 0 CDAERP CC(C)C[C@@H]([NH3+])CNc1ccc2c(c1)OCC[NH2+]C2 ZINC000530247635 271183341 /nfs/dbraw/zinc/18/33/41/271183341.db2.gz XTQFKHKOCCLXAF-CYBMUJFWSA-N 2 0 263.385 1.954 10 0 CDAERP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000248176823 274340005 /nfs/dbraw/zinc/34/00/05/274340005.db2.gz VTEYLTODTGZZGR-GYRMQKGHSA-N 2 0 274.408 1.963 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]CCF ZINC001668083181 1173366040 /nfs/dbraw/zinc/36/60/40/1173366040.db2.gz XEZWNJGPOKCWEY-QWHCGFSZSA-N 2 0 273.396 1.315 10 0 CDAERP C[C@H](CC[NH2+]CCCF)NC(=O)[C@H]1CCc2nccn2C1 ZINC001668117690 1173370945 /nfs/dbraw/zinc/37/09/45/1173370945.db2.gz LBBCYFHSEQDKBY-OLZOCXBDSA-N 2 0 296.390 1.290 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](C)CC1 ZINC000334334983 276260695 /nfs/dbraw/zinc/26/06/95/276260695.db2.gz ZDECXYKETWMCPM-ZDUSSCGKSA-N 2 0 253.390 1.025 10 0 CDAERP C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH2+]2)[C@@H]1c1ccccc1 ZINC000246003837 277168752 /nfs/dbraw/zinc/16/87/52/277168752.db2.gz SCPSDECTGQWNJB-ZNMIVQPWSA-N 2 0 273.380 1.300 10 0 CDAERP C(C1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1)[NH+]1CCCC1 ZINC000062031664 277713415 /nfs/dbraw/zinc/71/34/15/277713415.db2.gz LYSGTPJRCUHDKB-INIZCTEOSA-N 3 0 265.445 1.794 10 0 CDAERP CC(C)[C@H](CNC(=O)CC[C@@H](C)[NH3+])[NH+]1CCC(C)CC1 ZINC000193298426 277890307 /nfs/dbraw/zinc/89/03/07/277890307.db2.gz NFKWUKBXTNWKII-CABCVRRESA-N 2 0 283.460 1.987 10 0 CDAERP C[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)C[NH+]1CCCC1 ZINC000247653011 278200142 /nfs/dbraw/zinc/20/01/42/278200142.db2.gz XGLZBFJPOJMKKQ-CABCVRRESA-N 2 0 294.443 1.208 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000232799595 278220300 /nfs/dbraw/zinc/22/03/00/278220300.db2.gz ANBYCICIOOICNR-OAHLLOKOSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1CC1(C)C ZINC000423391418 278263420 /nfs/dbraw/zinc/26/34/20/278263420.db2.gz PKAXGYAPHBUFNY-TUAOUCFPSA-N 2 0 293.377 1.847 10 0 CDAERP CC(C)(C)C1CC[NH+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000414688298 278303303 /nfs/dbraw/zinc/30/33/03/278303303.db2.gz CYEJSUVWUUOTJY-CQSZACIVSA-N 2 0 295.471 1.942 10 0 CDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H]2CCCO2)CC1 ZINC000171588704 278395542 /nfs/dbraw/zinc/39/55/42/278395542.db2.gz GYDKRGLCWSDWDY-HIFRSBDPSA-N 2 0 270.417 1.190 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000108552246 279308065 /nfs/dbraw/zinc/30/80/65/279308065.db2.gz PALBTXOITBJNEC-KGLIPLIRSA-N 2 0 284.448 1.358 10 0 CDAERP CC[C@@H](C(=O)N1CCC([NH+]2CCCC2)CC1)[NH+](C)C ZINC000126518635 280068766 /nfs/dbraw/zinc/06/87/66/280068766.db2.gz HJKBPOXTQXFOKH-AWEZNQCLSA-N 2 0 267.417 1.413 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000246424056 280278989 /nfs/dbraw/zinc/27/89/89/280278989.db2.gz SPYSJQRHAVFOOS-CABCVRRESA-N 2 0 298.475 1.746 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2ccccc2CC[NH3+])C1 ZINC000514868928 280854361 /nfs/dbraw/zinc/85/43/61/280854361.db2.gz CANMRJVNRUECLB-HUUCEWRRSA-N 2 0 289.423 1.790 10 0 CDAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CC1CC(C)(C)C1 ZINC000519557108 281024880 /nfs/dbraw/zinc/02/48/80/281024880.db2.gz RGYGPUHGTVUXDJ-UHFFFAOYSA-N 2 0 283.460 1.765 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000094460120 288303616 /nfs/dbraw/zinc/30/36/16/288303616.db2.gz JPLDCHVKLVOACT-LEOABGAYSA-N 2 0 291.439 1.602 10 0 CDAERP CC1(C)CN(C(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CC[NH2+]1 ZINC000335626726 281189195 /nfs/dbraw/zinc/18/91/95/281189195.db2.gz HAJMJPDWFDBKAK-ZDUSSCGKSA-N 2 0 279.359 1.078 10 0 CDAERP C[N@@H+]1CCC[C@H]1CC[NH+]1CC2(CCOCC2)CC[C@H]1CO ZINC000528643618 281264891 /nfs/dbraw/zinc/26/48/91/281264891.db2.gz GXGYXPGKVBCMEC-HOTGVXAUSA-N 2 0 296.455 1.724 10 0 CDAERP CCN(CC[NH2+]CC1CC(C)(C)C1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001668642121 1173435728 /nfs/dbraw/zinc/43/57/28/1173435728.db2.gz ZLMPFZZZNDHRMX-HNNXBMFYSA-N 2 0 295.471 1.812 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000150762867 289072759 /nfs/dbraw/zinc/07/27/59/289072759.db2.gz ITVUWWTZBOFDIW-GJZGRUSLSA-N 2 0 296.459 1.310 10 0 CDAERP C[C@@]1(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)CC[NH2+]C1 ZINC000336111763 289132307 /nfs/dbraw/zinc/13/23/07/289132307.db2.gz BMGOYJXUCZCUGR-GOEBONIOSA-N 2 0 279.428 1.320 10 0 CDAERP C[N@@H+]1CC[C@@H](NC(=O)NC(C)(C)C[NH3+])[C@@H]1c1ccccc1 ZINC000417935249 290138427 /nfs/dbraw/zinc/13/84/27/290138427.db2.gz GLXQENYBNAUEIW-KGLIPLIRSA-N 2 0 290.411 1.468 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)OCCO)[C@@H]2CCC[C@@H]21 ZINC000352519029 290215393 /nfs/dbraw/zinc/21/53/93/290215393.db2.gz LETWAEHPOHQFEI-IHRRRGAJSA-N 2 0 270.417 1.236 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCN2CCOC(C)(C)C2)[C@@H]2CCC[C@H]21 ZINC000367587937 290218506 /nfs/dbraw/zinc/21/85/06/290218506.db2.gz KUYFCIWPCRBGKI-HRCADAONSA-N 2 0 295.471 1.560 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3c[nH]nc3C2)[C@H]2CCC[C@H]21 ZINC000353408655 290224740 /nfs/dbraw/zinc/22/47/40/290224740.db2.gz UNZGWUAWSOSBCR-HGTKMLMNSA-N 2 0 274.412 1.729 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN[C@@H]1CC[NH2+]C1(C)C ZINC000560972057 293041863 /nfs/dbraw/zinc/04/18/63/293041863.db2.gz GXLJJNWCZFQMKZ-OAHLLOKOSA-N 2 0 285.395 1.806 10 0 CDAERP CC[NH2+]CCCNC(=O)NC[C@@H]([NH3+])c1ccccc1CC ZINC000561203665 293062944 /nfs/dbraw/zinc/06/29/44/293062944.db2.gz LAQLDCVYTBRASW-OAHLLOKOSA-N 2 0 292.427 1.548 10 0 CDAERP COc1ccccc1OCC[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000562958419 293226181 /nfs/dbraw/zinc/22/61/81/293226181.db2.gz HULSWKMLDVURJD-STQMWFEESA-N 2 0 264.369 1.662 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000563107187 293276332 /nfs/dbraw/zinc/27/63/32/293276332.db2.gz AMFOLTCWCCUYDP-OLZOCXBDSA-N 2 0 253.390 1.119 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)NC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000567266621 293749051 /nfs/dbraw/zinc/74/90/51/293749051.db2.gz CMWBMMPKHQRNDE-KBPBESRZSA-N 2 0 292.427 1.325 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000570514038 294253112 /nfs/dbraw/zinc/25/31/12/294253112.db2.gz CCFMXLDNJGQZPU-QWRGUYRKSA-N 2 0 295.349 1.647 10 0 CDAERP Cc1cc(C)n(CCC[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)n1 ZINC000570832364 294319174 /nfs/dbraw/zinc/31/91/74/294319174.db2.gz NRUGVNKEBRWVNM-GJZGRUSLSA-N 2 0 264.417 1.868 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NCCC[NH2+]C(C)C ZINC000572467191 294627028 /nfs/dbraw/zinc/62/70/28/294627028.db2.gz NLXTUABTLDGIQG-CYBMUJFWSA-N 2 0 272.437 1.404 10 0 CDAERP [NH3+][C@H](CCC(=O)N1CCC2(CC[NH2+]2)CC1)c1ccccc1 ZINC000572840856 294701354 /nfs/dbraw/zinc/70/13/54/294701354.db2.gz ZWMABHFRGCXSOW-OAHLLOKOSA-N 2 0 287.407 1.821 10 0 CDAERP C[C@H]([NH2+]Cc1ccc2c(c1)OCO2)[C@@H]1CCC[NH2+]C1 ZINC000574148836 294953393 /nfs/dbraw/zinc/95/33/93/294953393.db2.gz FTQHHMIRMBDIOU-WCQYABFASA-N 2 0 262.353 1.893 10 0 CDAERP COc1ccc([C@H](N[C@@H]2CCC[NH2+]C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423190737 295245796 /nfs/dbraw/zinc/24/57/96/295245796.db2.gz OAHPBUHAWDPFTE-PVAVHDDUSA-N 2 0 289.423 1.830 10 0 CDAERP [NH3+][C@@H]1CCC[C@H](C(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000062034738 295310362 /nfs/dbraw/zinc/31/03/62/295310362.db2.gz NWNKIPSENVWFAS-JKSUJKDBSA-N 2 0 293.455 1.838 10 0 CDAERP CC[C@@H](F)C[NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001668973100 1173486544 /nfs/dbraw/zinc/48/65/44/1173486544.db2.gz KLHHPYZDFAHKHI-GEXIGZQTSA-N 2 0 299.434 1.871 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261693222 297099507 /nfs/dbraw/zinc/09/95/07/297099507.db2.gz HTXVBXLADOCCJJ-YIYPIFLZSA-N 2 0 265.401 1.057 10 0 CDAERP FC1(F)CCC[C@H](C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000261681554 303126499 /nfs/dbraw/zinc/12/64/99/303126499.db2.gz GRMQYJJDYVBRRJ-UONOGXRCSA-N 2 0 287.398 1.791 10 0 CDAERP CC(C)CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001669925727 1173633466 /nfs/dbraw/zinc/63/34/66/1173633466.db2.gz UWRPSRHMASKRTE-ZIAGYGMSSA-N 2 0 269.433 1.421 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC1CC1 ZINC001670118672 1173655893 /nfs/dbraw/zinc/65/58/93/1173655893.db2.gz VXXOHIJZUNURGC-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000566293234 316544940 /nfs/dbraw/zinc/54/49/40/316544940.db2.gz KCLOMKPIXNHIQH-FMKPAKJESA-N 2 0 279.428 1.461 10 0 CDAERP [NH3+]C1(CNC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)CCCCC1 ZINC000570187918 316928662 /nfs/dbraw/zinc/92/86/62/316928662.db2.gz FNVPGAXGXJDGBV-CYBMUJFWSA-N 2 0 280.416 1.184 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N(C)CC2CC[NH+](C)CC2)C1 ZINC000575812641 317019979 /nfs/dbraw/zinc/01/99/79/317019979.db2.gz NXPSJMVTYAGXJV-ZDUSSCGKSA-N 2 0 267.417 1.128 10 0 CDAERP C[C@@H](C[NH2+][C@H]1CCCC12CC2)N1CC[NH+](C)CC1 ZINC000576410143 317134741 /nfs/dbraw/zinc/13/47/41/317134741.db2.gz GXBZGACKHKDPGV-KBPBESRZSA-N 2 0 251.418 1.545 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000577491690 317340125 /nfs/dbraw/zinc/34/01/25/317340125.db2.gz DOSWVJUAUHNLAX-LSDHHAIUSA-N 2 0 281.444 1.885 10 0 CDAERP CC[NH2+][C@H]1C[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001691750204 1173876020 /nfs/dbraw/zinc/87/60/20/1173876020.db2.gz LCNFNDWYWHJGQR-BETUJISGSA-N 2 0 255.406 1.223 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NCCCCC[NH+]2CCCC2)C1 ZINC000579493521 324205639 /nfs/dbraw/zinc/20/56/39/324205639.db2.gz LIJFDQDKHRTPNZ-OAHLLOKOSA-N 2 0 281.444 1.711 10 0 CDAERP c1cc2c(cc1CN(C1CC1)[C@H]1CC[NH2+]C1)C[NH2+]CC2 ZINC000579720884 324265437 /nfs/dbraw/zinc/26/54/37/324265437.db2.gz RYBHKBXRLHNXQI-KRWDZBQOSA-N 2 0 271.408 1.659 10 0 CDAERP CN(CC[NH2+]CC1CC1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001267389655 1159365068 /nfs/dbraw/zinc/36/50/68/1159365068.db2.gz AANNINLERYQSND-HUUCEWRRSA-N 2 0 279.428 1.461 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CCCF)CN1C(=O)CC[NH+]1CCCCC1 ZINC001700854831 1160038283 /nfs/dbraw/zinc/03/82/83/1160038283.db2.gz UVCIKXFQRDTWKA-HUUCEWRRSA-N 2 0 299.434 1.801 10 0 CDAERP C[NH+](C)CCCCNC(=O)[C@@H]1[NH2+]CC[C@@H]2CCCC[C@@H]12 ZINC000383790000 1160217422 /nfs/dbraw/zinc/21/74/22/1160217422.db2.gz WHMUEIHMMSDTKQ-RRFJBIMHSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@@H](C(=O)NCC1=CC[N@H+](CC2CCC2)CC1)[NH+](C)C ZINC001677603582 1174377452 /nfs/dbraw/zinc/37/74/52/1174377452.db2.gz WSXBTQXVMSOTKT-INIZCTEOSA-N 2 0 293.455 1.875 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCC[C@H]2[NH3+])CC[N@@H+]1C ZINC000251724686 1160573301 /nfs/dbraw/zinc/57/33/01/1160573301.db2.gz CDARHIOVRRYLAN-FDYHWXHSSA-N 2 0 253.390 1.103 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000246209700 482285068 /nfs/dbraw/zinc/28/50/68/482285068.db2.gz FTAZDMCNEWTPIZ-NWANDNLSSA-N 2 0 273.380 1.117 10 0 CDAERP CCCCC[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001670850224 1160580436 /nfs/dbraw/zinc/58/04/36/1160580436.db2.gz CNXNVGMOMAYAQS-UHFFFAOYSA-N 2 0 281.444 1.757 10 0 CDAERP C[C@H](CO)C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000678044714 482395754 /nfs/dbraw/zinc/39/57/54/482395754.db2.gz FALJUAUTCCJZIV-JYJNAYRXSA-N 2 0 283.460 1.105 10 0 CDAERP [NH3+]CC1(CCNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000652132715 482444448 /nfs/dbraw/zinc/44/44/48/482444448.db2.gz UCGQZCISRGTBGR-QWHCGFSZSA-N 2 0 280.416 1.041 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000668475050 482450122 /nfs/dbraw/zinc/45/01/22/482450122.db2.gz IFQOWLQJPPKAFB-NUEKZKHPSA-N 2 0 283.460 1.416 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000669514095 482534087 /nfs/dbraw/zinc/53/40/87/482534087.db2.gz QLXRNLSJUHKYOD-JIMOISOXSA-N 2 0 281.787 1.454 10 0 CDAERP CC1([NH3+])CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000669514590 482535167 /nfs/dbraw/zinc/53/51/67/482535167.db2.gz RTXKYLVCWRSWGO-AVGNSLFASA-N 2 0 265.401 1.247 10 0 CDAERP C[C@H]1C[C@H](N(C)C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC[N@@H+]1C ZINC000237561388 482731473 /nfs/dbraw/zinc/73/14/73/482731473.db2.gz XLGTYFZWAVQDLU-LOWDOPEQSA-N 2 0 253.390 1.055 10 0 CDAERP CC[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)CO1 ZINC000657363678 482854291 /nfs/dbraw/zinc/85/42/91/482854291.db2.gz AQUKSMLEYFHBOM-VNQPRFMTSA-N 2 0 282.428 1.644 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000228493310 482854580 /nfs/dbraw/zinc/85/45/80/482854580.db2.gz SCMHFLCVZHXTHV-BFHYXJOUSA-N 2 0 267.417 1.303 10 0 CDAERP [NH3+]C[C@H](C(=O)N1CC[C@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000336466467 482918762 /nfs/dbraw/zinc/91/87/62/482918762.db2.gz GYVPEGVGAQUZEX-DOTOQJQBSA-N 2 0 287.407 1.331 10 0 CDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H]2CCCC[C@H]2O)CC1 ZINC000245688922 482981390 /nfs/dbraw/zinc/98/13/90/482981390.db2.gz VQNWFSUMZWNSQW-NUEKZKHPSA-N 2 0 284.444 1.315 10 0 CDAERP C[C@H](C(=O)NC1CC([NH+](C)C)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000670445799 482993734 /nfs/dbraw/zinc/99/37/34/482993734.db2.gz RTBOUKRCNROUHD-PGDPNYEUSA-N 2 0 267.417 1.457 10 0 CDAERP C[NH+](C)Cc1ccc(C(=O)N2CC[C@H](C[NH+](C)C)C2)cn1 ZINC000670475487 483087569 /nfs/dbraw/zinc/08/75/69/483087569.db2.gz MMUCOUQLFNSFHO-CYBMUJFWSA-N 2 0 290.411 1.167 10 0 CDAERP CN(CCC[N@H+](C)Cc1cnn2c1CCC2)CC[NH+](C)C ZINC000668176315 483106110 /nfs/dbraw/zinc/10/61/10/483106110.db2.gz QUESAESFGZAHAB-UHFFFAOYSA-N 2 0 293.459 1.145 10 0 CDAERP O=C(NC[C@@H]1CCC[NH2+]1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000667148671 483110752 /nfs/dbraw/zinc/11/07/52/483110752.db2.gz MCOHJXWSDWINFX-NSHDSACASA-N 2 0 286.339 1.141 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)NCC[NH+](C(C)C)C(C)C ZINC000136292183 483387536 /nfs/dbraw/zinc/38/75/36/483387536.db2.gz AYTCIHUSPAZDKH-CYBMUJFWSA-N 2 0 257.422 1.595 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)NCc1ccccc1C[NH+](C)C ZINC000136435654 483403131 /nfs/dbraw/zinc/40/31/31/483403131.db2.gz CEGXKVPGFZVVKA-HNNXBMFYSA-N 2 0 277.412 1.738 10 0 CDAERP COC[C@H](C)C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000683363347 483497003 /nfs/dbraw/zinc/49/70/03/483497003.db2.gz OSLGGVMVZAZFQG-KGLIPLIRSA-N 2 0 258.406 1.359 10 0 CDAERP C[NH+](C)CC1(CNC(=O)N[C@H]2CCC[N@H+](C)C2)CCCC1 ZINC000680555701 483660496 /nfs/dbraw/zinc/66/04/96/483660496.db2.gz WUMMTBHYTMLDAD-AWEZNQCLSA-N 2 0 296.459 1.502 10 0 CDAERP CCC[NH+]1CCN(C[C@@H]2CC[C@@H](C[NH2+]C3CC3)O2)CC1 ZINC000052422041 519858539 /nfs/dbraw/zinc/85/85/39/519858539.db2.gz BVMIHFRZVREFRH-HOTGVXAUSA-N 2 0 281.444 1.314 10 0 CDAERP CC[NH2+]CC1(C[N@@H+]2C[C@H]3CC[C@@H]2C3)CCOCC1 ZINC000052183012 519913843 /nfs/dbraw/zinc/91/38/43/519913843.db2.gz FCGCXCGGNAKKMA-UONOGXRCSA-N 2 0 252.402 1.877 10 0 CDAERP CC[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001712947407 1178258958 /nfs/dbraw/zinc/25/89/58/1178258958.db2.gz XJCNCOJOZDFZMP-ZDUSSCGKSA-N 2 0 255.406 1.317 10 0 CDAERP CCC[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CCCC1 ZINC001484012383 1161245862 /nfs/dbraw/zinc/24/58/62/1161245862.db2.gz IUGSZEHBHUSPPG-OAHLLOKOSA-N 2 0 293.455 1.757 10 0 CDAERP CCCN(CC[NH+](C)C)Cc1cc[nH+]c(NN)c1 ZINC000052720838 521658046 /nfs/dbraw/zinc/65/80/46/521658046.db2.gz IZCLGXFWRUQDKP-UHFFFAOYSA-N 2 0 251.378 1.141 10 0 CDAERP C(C[N@@H+]1CC[C@H]2COC[C@H]2C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000690318711 1161492444 /nfs/dbraw/zinc/49/24/44/1161492444.db2.gz YFAXZHPXVJPJLN-GWONACJQSA-N 2 0 264.413 1.875 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@H]1C[NH2+]CCCF ZINC001715551428 1179713234 /nfs/dbraw/zinc/71/32/34/1179713234.db2.gz CZSXRNDMJIGFPI-STQMWFEESA-N 2 0 273.396 1.172 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1[C@@H](CC[NH3+])C(F)(F)F ZINC000061642572 521870291 /nfs/dbraw/zinc/87/02/91/521870291.db2.gz QJUFRBSNDUWCQF-ZJUUUORDSA-N 2 0 253.312 1.292 10 0 CDAERP C[NH2+]C(C)(C)C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000061300134 521935304 /nfs/dbraw/zinc/93/53/04/521935304.db2.gz URNKWOFXILQWNO-GFCCVEGCSA-N 2 0 255.406 1.365 10 0 CDAERP C[NH2+]Cc1cc(Br)cnc1OCC[NH+](C)C ZINC000051548820 522103778 /nfs/dbraw/zinc/10/37/78/522103778.db2.gz LSEKATUVTQAVOV-UHFFFAOYSA-N 2 0 288.189 1.504 10 0 CDAERP C[NH2+]Cc1coc(C[N@H+](CCOC)[C@H](C)COC)c1 ZINC000052572387 522149148 /nfs/dbraw/zinc/14/91/48/522149148.db2.gz MHMFEICPFIKDOP-GFCCVEGCSA-N 2 0 270.373 1.482 10 0 CDAERP CC(C)(C)[NH2+]C[C@@H]1CC[C@H](C[NH+]2CCSCC2)O1 ZINC000052443292 518760470 /nfs/dbraw/zinc/76/04/70/518760470.db2.gz RYJFCVNFIFRLGJ-QWHCGFSZSA-N 2 0 272.458 1.971 10 0 CDAERP CC(C)[N@H+](CCO)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052198019 519649023 /nfs/dbraw/zinc/64/90/23/519649023.db2.gz SDIPKMIAMFRDQF-UHFFFAOYSA-N 2 0 286.460 1.874 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)N1CCN(CC[NH+](C)C)CC1 ZINC000061655335 519663188 /nfs/dbraw/zinc/66/31/88/519663188.db2.gz BRBDNTKQXFWHIH-INIZCTEOSA-N 2 0 284.492 1.190 10 0 CDAERP CC(C)[NH+]1CCN(C(=O)CCC2CCC([NH3+])CC2)CC1 ZINC000055129260 519678651 /nfs/dbraw/zinc/67/86/51/519678651.db2.gz MFIMRTBZQALJOT-UHFFFAOYSA-N 2 0 281.444 1.837 10 0 CDAERP CC(C)CC[C@](C)(C[NH3+])N1CCN(CC[NH+](C)C)CC1 ZINC000061643179 519694977 /nfs/dbraw/zinc/69/49/77/519694977.db2.gz DQXZHIZOQFCETG-MRXNPFEDSA-N 2 0 284.492 1.319 10 0 CDAERP CC(C)[NH2+]CC1(C[N@@H+](C)C[C@@H](C)O)CCOCC1 ZINC000052198269 519719625 /nfs/dbraw/zinc/71/96/25/519719625.db2.gz ONTOMTDPZBASET-CYBMUJFWSA-N 2 0 258.406 1.094 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)C[C@@H]2CCCC[NH2+]2)CC1 ZINC000055082538 519723566 /nfs/dbraw/zinc/72/35/66/519723566.db2.gz ORLONYSZMVQQHA-AWEZNQCLSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CC[C@H](C[N@@H+]2CCOCC2(C)C)O1 ZINC000052546191 519723984 /nfs/dbraw/zinc/72/39/84/519723984.db2.gz RHWSYQXYAHCNJT-UONOGXRCSA-N 2 0 270.417 1.643 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)[C@H]2CCC[C@H](C)[NH2+]2)CC1 ZINC000055082550 519724956 /nfs/dbraw/zinc/72/49/56/519724956.db2.gz AHYIHNIJYZHSGV-UONOGXRCSA-N 2 0 267.417 1.317 10 0 CDAERP CC(C)C[NH+]1CCN(C[C@@]2(C[NH2+]C3CC3)CCOC2)CC1 ZINC000055081731 519726384 /nfs/dbraw/zinc/72/63/84/519726384.db2.gz YJJRVNSEQIRLNV-KRWDZBQOSA-N 2 0 295.471 1.419 10 0 CDAERP CC(C)C[NH+]1CCN(c2ccccc2C(N)=[NH2+])CC1 ZINC000055079652 519728981 /nfs/dbraw/zinc/72/89/81/519728981.db2.gz LOPJDFIWHINLRQ-UHFFFAOYSA-N 2 0 260.385 1.749 10 0 CDAERP CC(C)C[NH2+]CCCC[N@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000052482702 519743227 /nfs/dbraw/zinc/74/32/27/519743227.db2.gz XWOCQAKCQNRHHX-CYBMUJFWSA-N 2 0 276.446 1.131 10 0 CDAERP CC(C)C[NH2+]Cc1cc(COCCC[NH+](C)C)on1 ZINC000052672446 519746709 /nfs/dbraw/zinc/74/67/09/519746709.db2.gz IXVUNGLZCQYJDS-UHFFFAOYSA-N 2 0 269.389 1.889 10 0 CDAERP CC(C)C[C@@H](C[NH3+])N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062978610 519776189 /nfs/dbraw/zinc/77/61/89/519776189.db2.gz PDXSMTAEZYXSIX-GJZGRUSLSA-N 2 0 253.434 1.920 10 0 CDAERP CC(C)[C@@H]1CC[C@@H](O)[C@H]([NH+]2CCN(CC[NH+](C)C)CC2)C1 ZINC000061652689 519803363 /nfs/dbraw/zinc/80/33/63/519803363.db2.gz BRVXNLMYYUILQK-BRWVUGGUSA-N 2 0 297.487 1.351 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)C[NH2+]C1CCCC1 ZINC000049220835 519814193 /nfs/dbraw/zinc/81/41/93/519814193.db2.gz UQEHUIWVWFRJRO-ZDUSSCGKSA-N 2 0 255.406 1.221 10 0 CDAERP CC(C)[C@H](CNC(=O)[C@@H](C[NH3+])c1ccccc1)[NH+](C)C ZINC000061612630 519815488 /nfs/dbraw/zinc/81/54/88/519815488.db2.gz JKPCIWWRYSPWNI-GJZGRUSLSA-N 2 0 277.412 1.431 10 0 CDAERP CCC[NH+]1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])CC[C@@H]2C)CC1 ZINC000055124579 519856616 /nfs/dbraw/zinc/85/66/16/519856616.db2.gz YQZUGQZUKFZLPF-MELADBBJSA-N 2 0 267.417 1.304 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](CC)[C@@H](C)COC)O1 ZINC000052505030 519924052 /nfs/dbraw/zinc/92/40/52/519924052.db2.gz KBMWXGBFASOPIA-KKUMJFAQSA-N 2 0 272.433 1.890 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000061265941 519933617 /nfs/dbraw/zinc/93/36/17/519933617.db2.gz PJRHYZQKRIPVLC-KGLIPLIRSA-N 2 0 267.417 1.319 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)Nc1ccccc1C[NH+](C)C ZINC000061230410 519943746 /nfs/dbraw/zinc/94/37/46/519943746.db2.gz YORYJAPDPGCSEK-GFCCVEGCSA-N 2 0 263.385 1.932 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)Cc2ccncc2)O1 ZINC000052481010 519951231 /nfs/dbraw/zinc/95/12/31/519951231.db2.gz RXWMXKRTBONIDG-GJZGRUSLSA-N 2 0 263.385 1.671 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2cnn(C)c2)O1 ZINC000052570420 519977356 /nfs/dbraw/zinc/97/73/56/519977356.db2.gz LOYSFDJEWYOSQQ-KGLIPLIRSA-N 2 0 266.389 1.009 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@H](C[N@H+](C)C2CCN(C)CC2)O1 ZINC000052419909 519979356 /nfs/dbraw/zinc/97/93/56/519979356.db2.gz ZBBLRSLPTIICMC-HUUCEWRRSA-N 2 0 269.433 1.170 10 0 CDAERP CC[NH2+]Cc1cn(CC[N@H+](C)CC(C)(C)C)nn1 ZINC000052570121 520014360 /nfs/dbraw/zinc/01/43/60/520014360.db2.gz YQGIDZYNORQFRS-UHFFFAOYSA-N 2 0 253.394 1.366 10 0 CDAERP CC[NH2+]Cc1cnc(N(C)C2CC[NH+](C)CC2)s1 ZINC000054899478 520016141 /nfs/dbraw/zinc/01/61/41/520016141.db2.gz ORGMKSXKUHNQFK-UHFFFAOYSA-N 2 0 268.430 1.783 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000061272791 520061939 /nfs/dbraw/zinc/06/19/39/520061939.db2.gz JXXLQCFZBFTDCS-LBPRGKRZSA-N 2 0 255.406 1.175 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000061273616 520066317 /nfs/dbraw/zinc/06/63/17/520066317.db2.gz YLEVNXATXFNILY-ZFWWWQNUSA-N 2 0 277.412 1.794 10 0 CDAERP CCO[C@H](C[NH3+])CC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000062740776 520516314 /nfs/dbraw/zinc/51/63/14/520516314.db2.gz AORAVLWKKXPKJL-KRWDZBQOSA-N 2 0 291.439 1.871 10 0 CDAERP CCO[C@H](C[NH3+])CC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000062740774 520516742 /nfs/dbraw/zinc/51/67/42/520516742.db2.gz NRDALARGDZZPIA-DLBZAZTESA-N 2 0 291.439 1.729 10 0 CDAERP CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc(NN)[nH+]c1 ZINC000051092231 520635783 /nfs/dbraw/zinc/63/57/83/520635783.db2.gz RKCKXQSEPUHXOX-LBPRGKRZSA-N 2 0 293.415 1.608 10 0 CDAERP CCC[C@@H](C)[NH2+]C[C@@H](C)N1CC[NH+](C2CC2)CC1 ZINC000053498347 520666371 /nfs/dbraw/zinc/66/63/71/520666371.db2.gz OKLZAFPNYVLVLC-ZIAGYGMSSA-N 2 0 253.434 1.933 10 0 CDAERP CC[NH+](CC)C[C@H](C)N1[C@@H]2CC[C@H]1CC([NH2+]C)C2 ZINC000054629263 520728845 /nfs/dbraw/zinc/72/88/45/520728845.db2.gz BGXPJHKDTCXVNT-AVOUXACISA-N 2 0 253.434 1.932 10 0 CDAERP CCC[C@H](C)NC(=O)[C@@H](C)[NH2+]CCCC[NH+](C)C ZINC000045698291 521050402 /nfs/dbraw/zinc/05/04/02/521050402.db2.gz DZXVVNNQTBQNJC-QWHCGFSZSA-N 2 0 257.422 1.611 10 0 CDAERP CC[N@H+](CCn1cc(C[NH2+]C(C)C)nn1)C(C)C ZINC000052446860 521184196 /nfs/dbraw/zinc/18/41/96/521184196.db2.gz QJYLTXCDBAIQJS-UHFFFAOYSA-N 2 0 253.394 1.506 10 0 CDAERP CC[NH+]1CCC(C[NH3+])(N2CCSC[C@H]2C)CC1 ZINC000070219525 521549883 /nfs/dbraw/zinc/54/98/83/521549883.db2.gz DKERYLXWCJQJTK-GFCCVEGCSA-N 2 0 257.447 1.237 10 0 CDAERP CCCN(CC[NH+](C)C)c1nc2ccccn2c1C[NH3+] ZINC000045701786 521658705 /nfs/dbraw/zinc/65/87/05/521658705.db2.gz RCUNVNBREJPDPF-UHFFFAOYSA-N 2 0 275.400 1.571 10 0 CDAERP C[NH+](C)CCN1CCN([C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000069267128 521769082 /nfs/dbraw/zinc/76/90/82/521769082.db2.gz JHJSPEORGZNQLE-QGZVFWFLSA-N 2 0 288.439 1.010 10 0 CDAERP COCC[C@@H]([NH3+])CN1CCC([NH+]2CCCCC2)CC1 ZINC000052810788 521832733 /nfs/dbraw/zinc/83/27/33/521832733.db2.gz OQCZSRUYSJBGGE-CQSZACIVSA-N 2 0 269.433 1.301 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1[C@@H](C[NH3+])c1cc(F)ccc1F ZINC000061642726 521843130 /nfs/dbraw/zinc/84/31/30/521843130.db2.gz MWZJNGMVIILBOK-WFASDCNBSA-N 2 0 283.366 1.991 10 0 CDAERP CN(C)C[C@H]1CCC[N@@H+]1CCCCC[NH2+]C1CC1 ZINC000061654656 521865309 /nfs/dbraw/zinc/86/53/09/521865309.db2.gz DCLXVMZSOCPIBJ-OAHLLOKOSA-N 2 0 253.434 1.935 10 0 CDAERP C[NH+](C)Cc1cccc(C(=O)N2CCC([NH+](C)C)CC2)c1 ZINC000155739048 521914038 /nfs/dbraw/zinc/91/40/38/521914038.db2.gz HYDIDLGAPNPFOH-UHFFFAOYSA-N 2 0 289.423 1.914 10 0 CDAERP C[NH+](C)Cc1cccc(C(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000156200428 521914246 /nfs/dbraw/zinc/91/42/46/521914246.db2.gz WFRVEPSOYNBRAM-HNNXBMFYSA-N 2 0 275.396 1.524 10 0 CDAERP C[NH2+]C(C)(C)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000061318235 521936706 /nfs/dbraw/zinc/93/67/06/521936706.db2.gz XQHMUDKZBZFRGN-IUODEOHRSA-N 2 0 269.433 1.611 10 0 CDAERP C[NH+](C)[C@@H]1CCN([C@@H](C[NH3+])c2cccc3cccnc32)C1 ZINC000069502794 522054131 /nfs/dbraw/zinc/05/41/31/522054131.db2.gz BACUZSMQSLPBGA-ZBFHGGJFSA-N 2 0 284.407 1.871 10 0 CDAERP C[NH2+]C[C@H]1CC[C@@H](C[N@@H+]2CCc3ccccc3C2)O1 ZINC000052419163 522092480 /nfs/dbraw/zinc/09/24/80/522092480.db2.gz YCYHFKDZPFHVHD-CVEARBPZSA-N 2 0 260.381 1.812 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C[C@@H]2CCC[C@@H]2[NH2+]C)CC1 ZINC000055072379 522124711 /nfs/dbraw/zinc/12/47/11/522124711.db2.gz FOLJPPUCDRSWKM-ILXRZTDVSA-N 2 0 253.434 1.791 10 0 CDAERP C[NH2+]Cc1coc(C[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000052515368 522149013 /nfs/dbraw/zinc/14/90/13/522149013.db2.gz QZUVYJHTSSZYFR-UHFFFAOYSA-N 3 0 265.401 1.773 10 0 CDAERP CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055077990 522300033 /nfs/dbraw/zinc/30/00/33/522300033.db2.gz XXZZGAUARDMGFD-FRRDWIJNSA-N 2 0 255.406 1.303 10 0 CDAERP CN(C)c1cc[nH+]cc1C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000183555814 522308154 /nfs/dbraw/zinc/30/81/54/522308154.db2.gz CHJDDAAAPMAYHF-GFCCVEGCSA-N 2 0 276.384 1.314 10 0 CDAERP C[NH2+][C@@H](CN1CC[NH+](CC(C)C)CC1)C(C)(C)C ZINC000055078794 522353612 /nfs/dbraw/zinc/35/36/12/522353612.db2.gz DZZBEOFGMYDEMZ-AWEZNQCLSA-N 2 0 255.450 1.894 10 0 CDAERP CN[C@@](C)(C[C@@H](C)[N@H+](C)CC1CC[NH+](C)CC1)C(=O)OC ZINC000068646432 522414284 /nfs/dbraw/zinc/41/42/84/522414284.db2.gz PVVMSZMOFHSGLN-CJNGLKHVSA-N 2 0 299.459 1.190 10 0 CDAERP Cn1cc(C[N@H+](C)C[C@H]2CC[C@@H](C[NH2+]C(C)(C)C)O2)cn1 ZINC000052570431 523514034 /nfs/dbraw/zinc/51/40/34/523514034.db2.gz CHRBIZRPPLCXGQ-LSDHHAIUSA-N 2 0 294.443 1.788 10 0 CDAERP COCC[N@H+](Cc1cc(C[NH3+])co1)[C@@H](C)C1CC1 ZINC000052545397 523740784 /nfs/dbraw/zinc/74/07/84/523740784.db2.gz HICNLBBINOGCHO-NSHDSACASA-N 2 0 252.358 1.985 10 0 CDAERP COCC[N@H+](Cc1cccnc1C[NH3+])[C@@H](C)C1CC1 ZINC000061656839 523763019 /nfs/dbraw/zinc/76/30/19/523763019.db2.gz GIUARSXKXAOGQV-LBPRGKRZSA-N 2 0 263.385 1.787 10 0 CDAERP C[N@@H+]1CCN([C@@H]2C[NH2+]Cc3ccccc32)CC1(C)C ZINC000069267592 523920432 /nfs/dbraw/zinc/92/04/32/523920432.db2.gz NPKDPDQDHDZFBE-OAHLLOKOSA-N 2 0 259.397 1.857 10 0 CDAERP C[NH+]1CCN(c2cccc(Cl)c2C(N)=[NH2+])CC1 ZINC000052904556 523927932 /nfs/dbraw/zinc/92/79/32/523927932.db2.gz OHGSOPLNHKROFY-UHFFFAOYSA-N 2 0 252.749 1.376 10 0 CDAERP CC[C@H](C)[NH+]1CCN(c2ccc(C(N)=[NH2+])cn2)CC1 ZINC000055067151 523960589 /nfs/dbraw/zinc/96/05/89/523960589.db2.gz MYASUHAKCGTGPI-NSHDSACASA-N 2 0 261.373 1.286 10 0 CDAERP C[C@@H]1CCC[NH2+][C@@H]1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000051793245 524263148 /nfs/dbraw/zinc/26/31/48/524263148.db2.gz NVZYQTRRTJIIDP-ZBFHGGJFSA-N 2 0 293.455 1.851 10 0 CDAERP Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@H](C)CC[NH+](C)C ZINC000049557505 524322304 /nfs/dbraw/zinc/32/23/04/524322304.db2.gz SOSVDMNRESPNQY-HZPDHXFCSA-N 2 0 294.439 1.973 10 0 CDAERP C[C@H](CNC(=O)CC[C@H](C)[NH3+])[N@@H+]1CCC[C@H](C)C1 ZINC000248879210 524378840 /nfs/dbraw/zinc/37/88/40/524378840.db2.gz RUSIKORPRIIIPQ-RWMBFGLXSA-N 2 0 255.406 1.350 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@H]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000055141932 524605036 /nfs/dbraw/zinc/60/50/36/524605036.db2.gz VCGLJLIZLLKJGE-XQLPTFJDSA-N 2 0 281.444 1.741 10 0 CDAERP C[C@H]1C[C@H]([NH3+])CC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000055138542 524902567 /nfs/dbraw/zinc/90/25/67/524902567.db2.gz KLMHQPFKFQHLMZ-FQUUOJAGSA-N 2 0 267.417 1.208 10 0 CDAERP C[C@@H]([NH3+])c1ccccc1N1CCN(CC[NH+](C)C)CC1 ZINC000061644864 525031223 /nfs/dbraw/zinc/03/12/23/525031223.db2.gz YXUDYPCJWPFHRF-CQSZACIVSA-N 2 0 276.428 1.390 10 0 CDAERP C[C@@H]1C[C@@H]([NH3+])CC[C@@H]1C(=O)NCC1CC[NH+](C)CC1 ZINC000055140227 525248248 /nfs/dbraw/zinc/24/82/48/525248248.db2.gz OQCKXVWOEGDHFN-XBFCOCLRSA-N 2 0 267.417 1.208 10 0 CDAERP O=C(CCC1CC[NH2+]CC1)N[C@H]1CC[N@@H+]2CCC[C@@H]12 ZINC000050943361 526411072 /nfs/dbraw/zinc/41/10/72/526411072.db2.gz PDRCVDIDDYFUNM-KBPBESRZSA-N 2 0 265.401 1.119 10 0 CDAERP O=C(CC[C@@H]1CCCC[NH2+]1)N[C@H]1C[NH+]2CCC1CC2 ZINC000050940087 526548347 /nfs/dbraw/zinc/54/83/47/526548347.db2.gz XCGGLKLRJLBQBG-KBPBESRZSA-N 2 0 265.401 1.119 10 0 CDAERP NC(=[NH2+])c1ccccc1C[N@@H+]1CCC[C@@H]1CCCO ZINC000052760529 526824240 /nfs/dbraw/zinc/82/42/40/526824240.db2.gz MRQOKZKLAIALFH-CYBMUJFWSA-N 2 0 261.369 1.708 10 0 CDAERP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418444655 535210823 /nfs/dbraw/zinc/21/08/23/535210823.db2.gz GQNMRBBOBAWLIM-GJZGRUSLSA-N 2 0 292.427 1.701 10 0 CDAERP CC(C)C[C@@H]([NH3+])CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000414699234 535280540 /nfs/dbraw/zinc/28/05/40/535280540.db2.gz DPSKGJJOQWEZFE-MRXNPFEDSA-N 2 0 297.487 1.937 10 0 CDAERP CCCn1cc(C[NH+]2CCC(C[NH2+]C)CC2)cn1 ZINC000220098648 535608658 /nfs/dbraw/zinc/60/86/58/535608658.db2.gz AYZYRZPYEVIROG-UHFFFAOYSA-N 2 0 250.390 1.725 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCc1ccc(F)cc1 ZINC000234786053 536850488 /nfs/dbraw/zinc/85/04/88/536850488.db2.gz HUDVNEHZEJWTGW-AWEZNQCLSA-N 2 0 254.349 1.712 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H](C)Oc1ccccc1F ZINC000422793765 536850990 /nfs/dbraw/zinc/85/09/90/536850990.db2.gz SSXBCFJZLSJXOR-STQMWFEESA-N 2 0 284.375 1.937 10 0 CDAERP O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000169815956 538154169 /nfs/dbraw/zinc/15/41/69/538154169.db2.gz ODZKPJHIMAWVFU-KGLIPLIRSA-N 2 0 279.428 1.509 10 0 CDAERP C[NH+](C)CCCNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000676741904 538366077 /nfs/dbraw/zinc/36/60/77/538366077.db2.gz LBWHSDDIAVISEB-UHFFFAOYSA-N 2 0 284.448 1.358 10 0 CDAERP C[NH+]1CCC(N2CCC([NH2+]Cc3ccoc3)CC2)CC1 ZINC000727469667 574585224 /nfs/dbraw/zinc/58/52/24/574585224.db2.gz AQRLAXFEDOXTFG-UHFFFAOYSA-N 2 0 277.412 1.928 10 0 CDAERP CC(=O)N1CCC([NH+]2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000768302721 576270169 /nfs/dbraw/zinc/27/01/69/576270169.db2.gz KNMRTUWQOAYOBT-UHFFFAOYSA-N 2 0 293.455 1.805 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N[C@H]2CCC[N@H+](C)C2)C1 ZINC000749562123 576952822 /nfs/dbraw/zinc/95/28/22/576952822.db2.gz GQHXANZCYITYIN-HZSPNIEDSA-N 2 0 282.432 1.253 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)[C@@H](C)COC ZINC001689939285 1175317832 /nfs/dbraw/zinc/31/78/32/1175317832.db2.gz NIUSYDGMGKAHKB-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP CC[C@H](C)C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001690014935 1175346598 /nfs/dbraw/zinc/34/65/98/1175346598.db2.gz VDXBMRBIZCTVKG-LSDHHAIUSA-N 2 0 295.471 1.955 10 0 CDAERP C(C[NH2+][C@H]1CC[NH2+]C12CCC2)COC[C@H]1CCOC1 ZINC000925524261 617441990 /nfs/dbraw/zinc/44/19/90/617441990.db2.gz ZSRYIRHHMSVTLR-KGLIPLIRSA-N 2 0 268.401 1.304 10 0 CDAERP C[C@@H]1[C@@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)CO[C@H]1C ZINC000926356415 617494082 /nfs/dbraw/zinc/49/40/82/617494082.db2.gz HWAFVAIGKYSHAA-IHRRRGAJSA-N 2 0 269.433 1.025 10 0 CDAERP COC(=O)N1CCC([NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925569871 617518893 /nfs/dbraw/zinc/51/88/93/617518893.db2.gz VIEMNXPSDLEKKI-AAEUAGOBSA-N 2 0 283.416 1.713 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)C12CCC2 ZINC000925608573 617553162 /nfs/dbraw/zinc/55/31/62/617553162.db2.gz FMLXKIPZDBMECT-KFWWJZLASA-N 2 0 281.444 1.083 10 0 CDAERP O[C@]1(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CCSC1 ZINC000925623449 617570861 /nfs/dbraw/zinc/57/08/61/617570861.db2.gz RHHOKYRPHPQNOQ-KFWWJZLASA-N 2 0 284.469 1.612 10 0 CDAERP CC(C)C(=O)NCCC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925624757 617571683 /nfs/dbraw/zinc/57/16/83/617571683.db2.gz BHEFLYSFGXHLJT-RDBSUJKOSA-N 2 0 281.444 1.515 10 0 CDAERP CC(C)C(=O)NCCC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925626048 617573570 /nfs/dbraw/zinc/57/35/70/617573570.db2.gz NGRHHPIOFVRGFT-OLZOCXBDSA-N 2 0 269.433 1.644 10 0 CDAERP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1CCc3nc[nH]c3C1)[NH2+]2 ZINC000925669097 617626011 /nfs/dbraw/zinc/62/60/11/617626011.db2.gz OYRWHYOUXJKMCY-LARJDALCSA-N 2 0 260.385 1.386 10 0 CDAERP C[NH+](C)CCOCC[NH2+][C@@H](C1CC1)[C@H]1CCCOC1 ZINC000926252914 617633086 /nfs/dbraw/zinc/63/30/86/617633086.db2.gz FLZFFYOEZAVUFK-GJZGRUSLSA-N 2 0 270.417 1.359 10 0 CDAERP CC1(C)[C@@H]([NH2+]CC2=CCOCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925677987 617646553 /nfs/dbraw/zinc/64/65/53/617646553.db2.gz BGQZWWUIUVCWTH-RDBSUJKOSA-N 2 0 250.386 1.699 10 0 CDAERP CCN(C)C(=O)[C@@H]([NH2+][C@H]1C[C@H]([NH3+])C12CCC2)C(C)C ZINC000925680971 617654367 /nfs/dbraw/zinc/65/43/67/617654367.db2.gz LUJNXFARCDUALN-AVGNSLFASA-N 2 0 267.417 1.349 10 0 CDAERP [NH3+][C@H]1C[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C12CCC2 ZINC000925703153 617764533 /nfs/dbraw/zinc/76/45/33/617764533.db2.gz CUJMSJOPZQDNRX-CKUJCDMFSA-N 3 0 292.471 1.062 10 0 CDAERP [NH3+][C@H]1CCC[C@@H]([NH2+]CC2(C3(O)CCOCC3)CC2)C1 ZINC000925827503 617840546 /nfs/dbraw/zinc/84/05/46/617840546.db2.gz UVQBGSQMHWHIIU-QWHCGFSZSA-N 2 0 268.401 1.168 10 0 CDAERP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000925830461 617849446 /nfs/dbraw/zinc/84/94/46/617849446.db2.gz DVFZFMKHSWMQQA-UTSOLEGOSA-N 2 0 290.407 1.338 10 0 CDAERP Cc1cc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)nn1C ZINC000925835951 617865205 /nfs/dbraw/zinc/86/52/05/617865205.db2.gz XLLUILPTMCCDFU-MELADBBJSA-N 2 0 262.401 1.249 10 0 CDAERP CCC[C@H](O)CC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925855056 617893489 /nfs/dbraw/zinc/89/34/89/617893489.db2.gz FZUYJQXLQMZKSS-RFQIPJPRSA-N 2 0 254.418 1.904 10 0 CDAERP COC[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)C(C)C ZINC000925873957 617942867 /nfs/dbraw/zinc/94/28/67/617942867.db2.gz OKVWWDPKSXHWRL-ZJIFWQFVSA-N 2 0 284.444 1.652 10 0 CDAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCc2nnn(C)c2C1 ZINC000925892823 617987038 /nfs/dbraw/zinc/98/70/38/617987038.db2.gz FTOODXRBWQUEFH-RDBSUJKOSA-N 2 0 291.443 1.573 10 0 CDAERP c1cc2ccc(CN3CC[NH2+]CC[NH2+]CC3)cc2[nH]1 ZINC000923459998 618339870 /nfs/dbraw/zinc/33/98/70/618339870.db2.gz JTYTUBKOFZNAHW-UHFFFAOYSA-N 2 0 258.369 1.163 10 0 CDAERP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@@H]2CC3CCC2CC3)C1 ZINC000924963068 618451282 /nfs/dbraw/zinc/45/12/82/618451282.db2.gz DGMUROJBAWHNLB-SSHXOBKSSA-N 2 0 293.455 1.742 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)[C@H](O)c1ccc2c(c1)OCO2 ZINC000817926871 618491099 /nfs/dbraw/zinc/49/10/99/618491099.db2.gz BMOGCKKPHOJKEZ-WQGACYEGSA-N 2 0 294.395 1.944 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H](O)C1CCCCC1 ZINC000924925163 618757559 /nfs/dbraw/zinc/75/75/59/618757559.db2.gz APPDRUHKGWLDLR-IUOOZAAYSA-N 2 0 266.429 1.857 10 0 CDAERP C[C@@H]1[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC[N@@H+]1C ZINC000928443874 619091021 /nfs/dbraw/zinc/09/10/21/619091021.db2.gz VSCHDJKAZNKWRL-IIAWOOMASA-N 2 0 293.455 1.850 10 0 CDAERP O=C(N1CC[C@@H](C[NH+]2CCCC2)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC000896520714 620127825 /nfs/dbraw/zinc/12/78/25/620127825.db2.gz MXXAVWAOJNDURC-RDJZCZTQSA-N 2 0 291.439 1.417 10 0 CDAERP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)C(C)(C)CO ZINC000925215007 620561537 /nfs/dbraw/zinc/56/15/37/620561537.db2.gz KCTICYLBAVBFBG-CYBMUJFWSA-N 2 0 271.449 1.009 10 0 CDAERP CC(C)C[C@H]([NH3+])C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000870997135 620567122 /nfs/dbraw/zinc/56/71/22/620567122.db2.gz PHPOAOINAQRICP-WFASDCNBSA-N 2 0 269.433 1.583 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)[C@H]1CC[NH+]1C(C)(C)C ZINC000898269086 621441627 /nfs/dbraw/zinc/44/16/27/621441627.db2.gz RHWHFSQXRZOUTD-CQSZACIVSA-N 2 0 283.460 1.953 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C12CCC2 ZINC000898840411 621895438 /nfs/dbraw/zinc/89/54/38/621895438.db2.gz RFBSCJMMBILNDI-MJBXVCDLSA-N 2 0 279.428 1.460 10 0 CDAERP C[C@H](CNC(=[NH2+])N[C@H](C)C1CC1)C[NH+]1CCCC1 ZINC000899265017 622128798 /nfs/dbraw/zinc/12/87/98/622128798.db2.gz QHHJVLDWQLTPPN-VXGBXAGGSA-N 2 0 252.406 1.631 10 0 CDAERP CN(CC[N@H+](C)C1CCCCC1)C(=O)C12CC[NH+](CC1)C2 ZINC000900411204 623017339 /nfs/dbraw/zinc/01/73/39/623017339.db2.gz DMHFQZYJUYJQAY-UHFFFAOYSA-N 2 0 293.455 1.805 10 0 CDAERP C1[C@@H]2[C@H]1[C@@H]1O[C@H]2C[C@H]1[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000902453259 624836363 /nfs/dbraw/zinc/83/63/63/624836363.db2.gz OIVYUJQQCLUOOS-RGPATBBCSA-N 2 0 262.397 1.673 10 0 CDAERP C1[C@@H]([NH2+][C@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)[C@H]2CCC[C@@H]12 ZINC000902456837 624842403 /nfs/dbraw/zinc/84/24/03/624842403.db2.gz PZZHITZOMCJXGL-OJFNHCPVSA-N 2 0 264.413 1.922 10 0 CDAERP CO[C@]1(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CCSC1 ZINC000903315105 625970275 /nfs/dbraw/zinc/97/02/75/625970275.db2.gz SKJAAIAUECLYPK-XGUBFFRZSA-N 2 0 284.469 1.971 10 0 CDAERP CCCC[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CCS(=O)(=O)C1 ZINC000903427375 625988928 /nfs/dbraw/zinc/98/89/28/625988928.db2.gz XQPWEAUCXCKXRV-RDBSUJKOSA-N 2 0 288.457 1.403 10 0 CDAERP CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903432664 625990459 /nfs/dbraw/zinc/99/04/59/625990459.db2.gz JRSCJFHMKHXOIU-FPCVCCKLSA-N 2 0 295.471 1.859 10 0 CDAERP C(C[NH2+][C@H]1CC[NH2+]C12CCC2)CC1CC[NH2+]CC1 ZINC000903473091 626004607 /nfs/dbraw/zinc/00/46/07/626004607.db2.gz ZRRRTRFUGKAJDC-AWEZNQCLSA-N 3 0 251.418 1.640 10 0 CDAERP CCC(CC)C[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903494478 626011395 /nfs/dbraw/zinc/01/13/95/626011395.db2.gz FVEXIQCYMOYWEC-GUTXKFCHSA-N 2 0 268.401 1.635 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H]([C@@]2(C)COC(=O)N2)C1 ZINC000903561259 626019212 /nfs/dbraw/zinc/01/92/12/626019212.db2.gz HQLYEIJZZWVAOS-UKTARXLSSA-N 2 0 281.400 1.052 10 0 CDAERP CC(C)(C)OC[C@H]1CCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000903563453 626020166 /nfs/dbraw/zinc/02/01/66/626020166.db2.gz CVAAHNGQGIXMKK-CQSZACIVSA-N 2 0 297.443 1.088 10 0 CDAERP CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](CC[C@@H]3CC[NH2+]C3)C[C@@H]21 ZINC000903563400 626020320 /nfs/dbraw/zinc/02/03/20/626020320.db2.gz BFLAFXZYGCCNCZ-RFQIPJPRSA-N 2 0 266.385 1.117 10 0 CDAERP [NH3+][C@H](CC(F)F)CN1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000903889996 626124229 /nfs/dbraw/zinc/12/42/29/626124229.db2.gz XSSHWEBKCDDNRR-OLZOCXBDSA-N 2 0 275.387 1.919 10 0 CDAERP CC[N@H+](C[C@@H](C[NH3+])Cc1cnn(C)c1C)CC1CC1 ZINC000903891526 626124738 /nfs/dbraw/zinc/12/47/38/626124738.db2.gz BPWGFOFQJKJSNB-CQSZACIVSA-N 2 0 264.417 1.578 10 0 CDAERP CCC1([NH2+]C[C@@H](C[NH3+])Cc2cnn(C)c2C)CCC1 ZINC000903902508 626139765 /nfs/dbraw/zinc/13/97/65/626139765.db2.gz IBZFZISDVCZIDZ-CYBMUJFWSA-N 2 0 264.417 1.768 10 0 CDAERP COc1ccccc1[C@@H]1C[NH2+]CCN1C[C@H]([NH3+])CC(F)F ZINC000903906611 626141460 /nfs/dbraw/zinc/14/14/60/626141460.db2.gz WLOSGNYZGNGVHP-YPMHNXCESA-N 2 0 299.365 1.624 10 0 CDAERP C[C@@H]1CN(CC[N@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)O1 ZINC000903909329 626142921 /nfs/dbraw/zinc/14/29/21/626142921.db2.gz UADKPGPUOYBOBK-DJSILETISA-N 2 0 295.471 1.558 10 0 CDAERP [NH3+][C@H](CC(F)F)CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000903920613 626146978 /nfs/dbraw/zinc/14/69/78/626146978.db2.gz WLIRHAJVNLUAAR-QJPTWQEYSA-N 2 0 261.360 1.433 10 0 CDAERP Cc1noc(C)c1CC[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903923207 626148114 /nfs/dbraw/zinc/14/81/14/626148114.db2.gz NWFKHAZFDADUSG-AGUYFDCRSA-N 2 0 263.385 1.954 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[NH2+]CCc2ccccc2)cnn1C ZINC000903923468 626148199 /nfs/dbraw/zinc/14/81/99/626148199.db2.gz UZFZJMIDRJJJOL-MRXNPFEDSA-N 2 0 286.423 1.678 10 0 CDAERP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000903915896 626156636 /nfs/dbraw/zinc/15/66/36/626156636.db2.gz DGAXGLVELZADOO-GOOCMWNKSA-N 3 0 263.429 1.593 10 0 CDAERP FC1(F)CC[NH2+]C[C@@H]1CNCc1cccc2c1CC[NH2+]C2 ZINC000903957661 626158173 /nfs/dbraw/zinc/15/81/73/626158173.db2.gz SEQDVTPKKXUFEF-CQSZACIVSA-N 2 0 295.377 1.667 10 0 CDAERP Nc1cc[nH+]c(CNCc2cc3c(s2)CC[NH2+]C3)c1 ZINC000903953369 626165986 /nfs/dbraw/zinc/16/59/86/626165986.db2.gz DMBBXTUPKBNOIM-UHFFFAOYSA-N 2 0 274.393 1.661 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cccc2c1NCC2 ZINC000903975175 626169595 /nfs/dbraw/zinc/16/95/95/626169595.db2.gz YZJDEBRURPZZNE-TZMCWYRMSA-N 2 0 259.397 1.990 10 0 CDAERP Cc1nn2c(C[N@H+]3C[C@@H](C)[C@H](CC[NH3+])C3)c(C)nc2s1 ZINC000903976879 626169806 /nfs/dbraw/zinc/16/98/06/626169806.db2.gz GIWGPSBYYQBMHN-BXKDBHETSA-N 2 0 293.440 1.824 10 0 CDAERP CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](C[C@@H]3CC[NH2+][C@H](C)C3)C[C@@H]21 ZINC000903985914 626174122 /nfs/dbraw/zinc/17/41/22/626174122.db2.gz CUDGXCHSWBPYKY-ARILJUKYSA-N 2 0 280.412 1.506 10 0 CDAERP [NH2+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NC[C@@H]1CCCS1 ZINC000905041675 626380880 /nfs/dbraw/zinc/38/08/80/626380880.db2.gz JXKKFOJXUDPRLB-AAEUAGOBSA-N 2 0 282.457 1.480 10 0 CDAERP CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000916835899 632088140 /nfs/dbraw/zinc/08/81/40/632088140.db2.gz GAYISGKGQSQHQJ-MCIONIFRSA-N 2 0 282.432 1.110 10 0 CDAERP C[NH+](C)CC1(C(=O)N2CCC[C@H]2C[NH2+]CCC2CC2)CC1 ZINC001671342167 1158635043 /nfs/dbraw/zinc/63/50/43/1158635043.db2.gz CNKFYWIHLFFZFA-HNNXBMFYSA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]C/C=C\Cl ZINC001266993996 1159071933 /nfs/dbraw/zinc/07/19/33/1159071933.db2.gz HPRDZVAGEWEBTC-ISALQUGTSA-N 2 0 261.797 1.173 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001671342319 1158634858 /nfs/dbraw/zinc/63/48/58/1158634858.db2.gz HDUAKSAMKFHQPW-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001670712881 1158714485 /nfs/dbraw/zinc/71/44/85/1158714485.db2.gz DPWIGJJANUJCFE-KSLSASGISA-N 2 0 293.455 1.875 10 0 CDAERP CC(C)=CC[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001691170304 1158942492 /nfs/dbraw/zinc/94/24/92/1158942492.db2.gz AYQJGGJRBYSUJK-OAHLLOKOSA-N 2 0 279.428 1.487 10 0 CDAERP CCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001267129388 1159130755 /nfs/dbraw/zinc/13/07/55/1159130755.db2.gz OMDLLNMDCFBVFR-KGLIPLIRSA-N 2 0 269.433 1.754 10 0 CDAERP CC[C@@H](C[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)OC ZINC001691447428 1159305279 /nfs/dbraw/zinc/30/52/79/1159305279.db2.gz CIFRZTGDVFNASY-KKUMJFAQSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@@H](C[NH2+]CCCF)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268063433 1159768529 /nfs/dbraw/zinc/76/85/29/1159768529.db2.gz LUEWNSSLZDSHOY-YNEHKIRRSA-N 2 0 273.396 1.123 10 0 CDAERP CC[C@@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)C(C)C ZINC001481683034 1159872498 /nfs/dbraw/zinc/87/24/98/1159872498.db2.gz MEZJCWLEBIPHEM-ILXRZTDVSA-N 2 0 281.444 1.658 10 0 CDAERP C[C@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH+](C)C ZINC000810091653 1163165825 /nfs/dbraw/zinc/16/58/25/1163165825.db2.gz DGJYQPZATSALGV-RISCZKNCSA-N 2 0 273.396 1.265 10 0 CDAERP C[C@H]1C[N@H+](CC(=O)NCc2ccccc2F)CC[C@@H]1C[NH3+] ZINC000923499693 1161545169 /nfs/dbraw/zinc/54/51/69/1161545169.db2.gz NKDKEHSYPKGQEN-QWHCGFSZSA-N 2 0 293.386 1.359 10 0 CDAERP C[C@@H](CNC(=[NH2+])N[C@H]1C[C@H]1C)[N@@H+]1CCCC[C@@H]1C ZINC000864453299 1164545758 /nfs/dbraw/zinc/54/57/58/1164545758.db2.gz MGJVZOIANMHHOU-VOAKCMCISA-N 2 0 252.406 1.772 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=[NH2+])NCCC1CC1 ZINC000864468916 1164549213 /nfs/dbraw/zinc/54/92/13/1164549213.db2.gz KXFWFURPKISSRV-UHFFFAOYSA-N 2 0 254.422 1.878 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]Cc2ccnc(-n3cncn3)c2)CC[N@@H+]1C ZINC000866432262 1164782155 /nfs/dbraw/zinc/78/21/55/1164782155.db2.gz OBEAVEZPWPYCKL-TZMCWYRMSA-N 2 0 286.383 1.235 10 0 CDAERP CC[C@H]1C[N@H+](CCc2ccc(C(N)=O)cc2)CC[C@@H]1[NH3+] ZINC000866663974 1164804394 /nfs/dbraw/zinc/80/43/94/1164804394.db2.gz QEOLLYUXIQZTSM-ZFWWWQNUSA-N 2 0 275.396 1.387 10 0 CDAERP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000868625672 1164971292 /nfs/dbraw/zinc/97/12/92/1164971292.db2.gz AZTXTMIEKVMOBF-ILXRZTDVSA-N 2 0 296.459 1.451 10 0 CDAERP CN1CCN(c2cc[nH+]c(NC(=O)/C=C/C3CC3)c2)CC1 ZINC000870666599 1165199719 /nfs/dbraw/zinc/19/97/19/1165199719.db2.gz ICYRDRNDSRAUNI-SNAWJCMRSA-N 2 0 286.379 1.738 10 0 CDAERP CC[C@@H]([NH2+]CCOCC[NH+](C)C)[C@@H]1CCCOC1 ZINC000872065192 1165377587 /nfs/dbraw/zinc/37/75/87/1165377587.db2.gz VKFYRRPFQNTWEH-ZIAGYGMSSA-N 2 0 258.406 1.359 10 0 CDAERP CSC[C@@H](O)C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000872228813 1165398977 /nfs/dbraw/zinc/39/89/77/1165398977.db2.gz LDNRIMOQTQWJGS-CPCZMJQVSA-N 2 0 260.447 1.563 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000872305882 1165414318 /nfs/dbraw/zinc/41/43/18/1165414318.db2.gz PEPJLKWQRAQBMH-UTHRFFRBSA-N 2 0 277.412 1.247 10 0 CDAERP O[C@H](C[NH2+]CCc1ccc(F)cc1)C[NH+]1CCCC1 ZINC000037859760 1165801723 /nfs/dbraw/zinc/80/17/23/1165801723.db2.gz UMIWOYZLFBOTIB-OAHLLOKOSA-N 2 0 266.360 1.415 10 0 CDAERP CC[N@H+](CCNC(=O)C1([NH+](C)C)CCCC1)C1CC1 ZINC001632346487 1166344390 /nfs/dbraw/zinc/34/43/90/1166344390.db2.gz YNNYXFRRBBVQAX-UHFFFAOYSA-N 2 0 267.417 1.461 10 0 CDAERP CCCC[C@@H](C[NH2+]CCF)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001276254589 1166741843 /nfs/dbraw/zinc/74/18/43/1166741843.db2.gz DVYLYWJCMLBLRR-KBPBESRZSA-N 2 0 287.423 1.705 10 0 CDAERP COC[C@H](C)C[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001646213240 1167698725 /nfs/dbraw/zinc/69/87/25/1167698725.db2.gz WIPVAINCILIMCC-CYBMUJFWSA-N 2 0 270.417 1.502 10 0 CDAERP CC[NH+](CC)CC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001647017515 1168350473 /nfs/dbraw/zinc/35/04/73/1168350473.db2.gz XJJRULVBUNDCTA-UONOGXRCSA-N 2 0 271.449 1.809 10 0 CDAERP CC1(C)C[NH2+]CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001647343512 1168594555 /nfs/dbraw/zinc/59/45/55/1168594555.db2.gz RGHSABYCBMQSJF-CYBMUJFWSA-N 2 0 279.428 1.509 10 0 CDAERP CC[NH2+]CCC1CCN(C(=O)CCc2cncn2C)CC1 ZINC001568098822 1169136078 /nfs/dbraw/zinc/13/60/78/1169136078.db2.gz NJVQBAZBINRJOI-UHFFFAOYSA-N 2 0 292.427 1.591 10 0 CDAERP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)[C@H]2C1 ZINC001649358805 1169238279 /nfs/dbraw/zinc/23/82/79/1169238279.db2.gz ITXMZTUOOZRZGK-QRJUGERDSA-N 2 0 291.439 1.460 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC1CC(C)(C)C1 ZINC001568826450 1169500367 /nfs/dbraw/zinc/50/03/67/1169500367.db2.gz BVQJAYLYGPVHPL-FOSCPCJNSA-N 2 0 293.455 1.779 10 0 CDAERP CCC[N@H+](C)[C@@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001570747719 1170267061 /nfs/dbraw/zinc/26/70/61/1170267061.db2.gz LEEKIWBJROBGIP-QWHCGFSZSA-N 2 0 255.406 1.175 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001571393228 1170408163 /nfs/dbraw/zinc/40/81/63/1170408163.db2.gz LGNUDKTTXOXSHG-GJZGRUSLSA-N 2 0 281.444 1.873 10 0 CDAERP CC(C)(C)[NH+]1CCN(C(=O)c2ccccc2CC[NH3+])CC1 ZINC000070552703 1171670382 /nfs/dbraw/zinc/67/03/82/1171670382.db2.gz PABNYVZTWQUDCV-UHFFFAOYSA-N 2 0 289.423 1.744 10 0 CDAERP CCC[NH2+][C@@H]1CC[C@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001656364033 1171812797 /nfs/dbraw/zinc/81/27/97/1171812797.db2.gz RBLWTWBWZQCVRR-UONOGXRCSA-N 2 0 269.433 1.613 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001661506209 1172400182 /nfs/dbraw/zinc/40/01/82/1172400182.db2.gz YNEOXSDTVFKRQY-IHRRRGAJSA-N 2 0 267.417 1.365 10 0 CDAERP CC/C=C/CC[NH2+]C[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001667033841 1173225270 /nfs/dbraw/zinc/22/52/70/1173225270.db2.gz QFNKCKZOBJYQGG-NFAHFFEMSA-N 2 0 293.455 1.875 10 0 CDAERP CC(C)[NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001667507611 1173277578 /nfs/dbraw/zinc/27/75/78/1173277578.db2.gz BLFCADOAIQDKIS-CYBMUJFWSA-N 2 0 267.417 1.221 10 0 CDAERP CC1CC[NH+](CC(=O)N[C@H]2CCC[C@H]2C[NH2+]CCF)CC1 ZINC001667759187 1173321788 /nfs/dbraw/zinc/32/17/88/1173321788.db2.gz VRUHTTDGDKLBHC-GJZGRUSLSA-N 2 0 299.434 1.562 10 0 CDAERP CC[C@H](C(=O)NC/C=C\C[NH2+]CC1CCC1)[NH+](C)C ZINC001669146797 1173510346 /nfs/dbraw/zinc/51/03/46/1173510346.db2.gz XPAYYUWHDAFXRN-GEXIGZQTSA-N 2 0 267.417 1.389 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001669577002 1173570969 /nfs/dbraw/zinc/57/09/69/1173570969.db2.gz MDQDRFRWAZAOAR-OLZOCXBDSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N[C@H](C[NH2+]CCF)C2CCCC2)C1 ZINC001671555164 1173688231 /nfs/dbraw/zinc/68/82/31/1173688231.db2.gz WZNURCOWVIWKSV-DZGCQCFKSA-N 2 0 299.434 1.562 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CC[C@H](CC[NH2+]C/C=C\Cl)C1 ZINC001672909127 1173808294 /nfs/dbraw/zinc/80/82/94/1173808294.db2.gz CENXGKBNRWLUHL-XSHSDMCLSA-N 2 0 299.846 1.663 10 0 CDAERP Cc1nc[nH]c1CC(=O)NC1CC(C[NH2+]CCC2CC2)C1 ZINC001674604686 1173966730 /nfs/dbraw/zinc/96/67/30/1173966730.db2.gz UBSBNRROAKFVCG-UHFFFAOYSA-N 2 0 290.411 1.545 10 0 CDAERP CC(C)=CC[NH+]1CC([C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001675359776 1174106738 /nfs/dbraw/zinc/10/67/38/1174106738.db2.gz LRTOTSJZIWIUBE-GOEBONIOSA-N 2 0 295.471 1.975 10 0 CDAERP CCOCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H]1CC ZINC001689167160 1175103249 /nfs/dbraw/zinc/10/32/49/1175103249.db2.gz XYDXEKRSPAXGJS-ZNMIVQPWSA-N 2 0 297.443 1.086 10 0 CDAERP CC[C@H](C(=O)NCCC[N@H+](C)CC1CCC1)[NH+](C)C ZINC001689877764 1175291986 /nfs/dbraw/zinc/29/19/86/1175291986.db2.gz KLNXNLRAUSTPCS-CQSZACIVSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCCF)C1)[NH+]1CCCCCC1 ZINC001690358384 1175449065 /nfs/dbraw/zinc/44/90/65/1175449065.db2.gz ZBRBWAQFCHDIRB-KFWWJZLASA-N 2 0 299.434 1.847 10 0 CDAERP C[N@H+](CC(=O)N1CCC[C@H](C[NH2+]CCCF)C1)C1CCC1 ZINC001690409695 1175465564 /nfs/dbraw/zinc/46/55/64/1175465564.db2.gz RWBGYMZKAJZBFI-CQSZACIVSA-N 2 0 299.434 1.659 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001690429850 1175469296 /nfs/dbraw/zinc/46/92/96/1175469296.db2.gz YBESMJMBJODNMP-HNNXBMFYSA-N 2 0 283.460 1.957 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC1CCC([NH2+]CCCF)CC1 ZINC001690546418 1175491220 /nfs/dbraw/zinc/49/12/20/1175491220.db2.gz VQBDLWOFYQMJSZ-UHFFFAOYSA-N 2 0 287.423 1.703 10 0 CDAERP CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001698922788 1175985003 /nfs/dbraw/zinc/98/50/03/1175985003.db2.gz IAESARATMCTNIS-AWEZNQCLSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)=CC[NH2+]CC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001699131919 1176106539 /nfs/dbraw/zinc/10/65/39/1176106539.db2.gz SNEFORXLTWEJBE-AWEZNQCLSA-N 2 0 281.444 1.779 10 0 CDAERP CCN(CC[NH2+]CCF)C(=O)C[N@H+](C)CC(C)(C)C ZINC001699204627 1176139581 /nfs/dbraw/zinc/13/95/81/1176139581.db2.gz PWILVACXWNPKOW-UHFFFAOYSA-N 2 0 275.412 1.372 10 0 CDAERP CC(C)C[NH2+]C/C=C\CNC(=O)C[NH+]1CCC(C)CC1 ZINC001699325313 1176230422 /nfs/dbraw/zinc/23/04/22/1176230422.db2.gz WTZYDDMAHJWJAC-PLNGDYQASA-N 2 0 281.444 1.636 10 0 CDAERP CN(CCC[NH2+]Cc1ccon1)C(=O)C1([NH+](C)C)CCC1 ZINC001699508730 1176453952 /nfs/dbraw/zinc/45/39/52/1176453952.db2.gz DQUHPUZDKVBBIT-UHFFFAOYSA-N 2 0 294.399 1.097 10 0 CDAERP CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001699966760 1176700510 /nfs/dbraw/zinc/70/05/10/1176700510.db2.gz KCJIEAGZDNNNAV-UONOGXRCSA-N 2 0 269.433 1.422 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@H](C)[C@@H](C)[NH2+]C(C)C ZINC001700424042 1176920983 /nfs/dbraw/zinc/92/09/83/1176920983.db2.gz BNEPSWNSIFLJOE-CHWSQXEVSA-N 2 0 257.422 1.610 10 0 CDAERP COCC[N@@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C1 ZINC001700577212 1177024643 /nfs/dbraw/zinc/02/46/43/1177024643.db2.gz AMJYXZAACQVETQ-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001707265918 1177985651 /nfs/dbraw/zinc/98/56/51/1177985651.db2.gz BROKMNPEVCHWHX-YNOVSXENSA-N 2 0 293.455 1.873 10 0 CDAERP O=C(NCCC[N@@H+](CCF)C1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001707481976 1178075499 /nfs/dbraw/zinc/07/54/99/1178075499.db2.gz HYDOHPBQRWBWDD-HNNXBMFYSA-N 2 0 297.418 1.268 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]([NH2+]CCCF)C2CC2)C1 ZINC001713123036 1178381045 /nfs/dbraw/zinc/38/10/45/1178381045.db2.gz MDWLUZIBPYAUDD-JSGCOSHPSA-N 2 0 285.407 1.172 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001713167715 1178409169 /nfs/dbraw/zinc/40/91/69/1178409169.db2.gz HWNSMDSNFIAPHW-SHTZXODSSA-N 2 0 279.428 1.675 10 0 CDAERP COCC[NH2+]C1CCC(NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001713287466 1178467856 /nfs/dbraw/zinc/46/78/56/1178467856.db2.gz FERHUBDELIYURR-UHFFFAOYSA-N 2 0 297.443 1.134 10 0 CDAERP CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000237036516 1178518350 /nfs/dbraw/zinc/51/83/50/1178518350.db2.gz JUAMTGZHIOXXCR-YNEHKIRRSA-N 2 0 255.406 1.160 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001713360414 1178520801 /nfs/dbraw/zinc/52/08/01/1178520801.db2.gz IJZBSNKKFVNPQE-GJZGRUSLSA-N 2 0 281.444 1.566 10 0 CDAERP C[C@H](F)CC[NH2+]CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001713610445 1178679851 /nfs/dbraw/zinc/67/98/51/1178679851.db2.gz WUHPFVDMAFMVOE-ZDUSSCGKSA-N 2 0 285.407 1.411 10 0 CDAERP CCCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CC)C1 ZINC001713722809 1178722316 /nfs/dbraw/zinc/72/23/16/1178722316.db2.gz UTVLOSNOJUEEAT-ZIAGYGMSSA-N 2 0 267.417 1.271 10 0 CDAERP CC[NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001714710187 1179349720 /nfs/dbraw/zinc/34/97/20/1179349720.db2.gz YEHQBELILGWQKM-UHFFFAOYSA-N 2 0 255.406 1.319 10 0 CDAERP C[C@@H](C[NH2+]CC1CC1)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001714750840 1179376729 /nfs/dbraw/zinc/37/67/29/1179376729.db2.gz OHOVELSRDOTBFW-STQMWFEESA-N 2 0 267.417 1.175 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCCC(C)C ZINC001715079060 1179543112 /nfs/dbraw/zinc/54/31/12/1179543112.db2.gz FQGSFSLSBCUBGZ-HUUCEWRRSA-N 2 0 283.460 1.859 10 0 CDAERP CO[C@@H](C)C[NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001715854953 1179870883 /nfs/dbraw/zinc/87/08/83/1179870883.db2.gz SKIVWNOAWQDKCE-GJBLVYBDSA-N 2 0 297.443 1.158 10 0 CDAERP CC(C)=CC[NH+](C)CCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001715960540 1179941783 /nfs/dbraw/zinc/94/17/83/1179941783.db2.gz VTBBBEZVFZWZPS-HNNXBMFYSA-N 2 0 281.444 1.685 10 0 CDAERP C[C@@H](CC[NH2+]Cc1ccon1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001716150126 1180072029 /nfs/dbraw/zinc/07/20/29/1180072029.db2.gz FGGSFHODVGVTOZ-GXTWGEPZSA-N 2 0 294.399 1.143 10 0 CDAERP C[C@H](CC[NH2+]CC1CC1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001716164094 1180078888 /nfs/dbraw/zinc/07/88/88/1180078888.db2.gz MISDEAQKPQSXSP-CYBMUJFWSA-N 2 0 281.444 1.755 10 0 CDAERP CCC[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001716489274 1180249481 /nfs/dbraw/zinc/24/94/81/1180249481.db2.gz FMKZBJIKNOLXMY-CYBMUJFWSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CC[NH+](C)C ZINC001716517848 1180264573 /nfs/dbraw/zinc/26/45/73/1180264573.db2.gz IAYHNZLAYXMDID-KGLIPLIRSA-N 2 0 269.433 1.611 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001716787469 1180415216 /nfs/dbraw/zinc/41/52/16/1180415216.db2.gz ZZIVQUITJMMKAV-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP CCOCC[NH+]1CCC(C)(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001716799393 1180419670 /nfs/dbraw/zinc/41/96/70/1180419670.db2.gz VHRSICCJUKHHCF-UHFFFAOYSA-N 2 0 299.459 1.334 10 0 CDAERP CC/C=C/CC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001717178833 1180561666 /nfs/dbraw/zinc/56/16/66/1180561666.db2.gz IJCWNDYRMNLZRX-NFAHFFEMSA-N 2 0 297.443 1.111 10 0 CDAERP CC(C)=CC[NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001717286209 1180604437 /nfs/dbraw/zinc/60/44/37/1180604437.db2.gz QFSZRCXIQYUZPM-GJZGRUSLSA-N 2 0 281.444 1.731 10 0 CDAERP CC(C)OCC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001717285645 1180604680 /nfs/dbraw/zinc/60/46/80/1180604680.db2.gz HVNJLOOCIREGHY-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP CCCCC[NH2+]CC1CC(NC(=O)Cc2cncn2C)C1 ZINC001717393560 1180644525 /nfs/dbraw/zinc/64/45/25/1180644525.db2.gz CUSGTJNNDBLLBQ-UHFFFAOYSA-N 2 0 292.427 1.637 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1[C@H]2C[NH+](C(C)C)C[C@H]21 ZINC001717607350 1180756446 /nfs/dbraw/zinc/75/64/46/1180756446.db2.gz POQADBMWKGZXHM-ZSOGYDGISA-N 2 0 267.417 1.029 10 0 CDAERP CC(C)(C(=O)N[C@H]1C[C@H](C[NH2+]CCF)C1)[NH+]1CCCCC1 ZINC001717641070 1180769455 /nfs/dbraw/zinc/76/94/55/1180769455.db2.gz VGKPLTJOHQPKBG-HDJSIYSDSA-N 2 0 299.434 1.705 10 0 CDAERP C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CCCF ZINC001717751650 1180828636 /nfs/dbraw/zinc/82/86/36/1180828636.db2.gz YTNVDVHPNOTHDG-STQMWFEESA-N 2 0 273.396 1.124 10 0 CDAERP CC(C)=CC[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001717900356 1180920223 /nfs/dbraw/zinc/92/02/23/1180920223.db2.gz HOQRCZJZZZNVEX-AWEZNQCLSA-N 2 0 281.444 1.731 10 0 CDAERP CCOCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001717955707 1180947173 /nfs/dbraw/zinc/94/71/73/1180947173.db2.gz ODRXAMKFMKXKSE-UONOGXRCSA-N 2 0 299.459 1.238 10 0 CDAERP CCCC[NH2+]C1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001717996111 1180962809 /nfs/dbraw/zinc/96/28/09/1180962809.db2.gz PVMVMJRQGZHRGJ-UHFFFAOYSA-N 2 0 255.406 1.317 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1CCCC[C@@H]1[NH3+])C1CC1 ZINC000167207333 1181134490 /nfs/dbraw/zinc/13/44/90/1181134490.db2.gz INGHTBLGURAFCJ-STQMWFEESA-N 2 0 253.390 1.104 10 0 CDAERP CC[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)CC2CCCC2)C1 ZINC000300073067 1181486995 /nfs/dbraw/zinc/48/69/95/1181486995.db2.gz ZQYHCXRTIRVWOQ-LSDHHAIUSA-N 2 0 254.418 1.859 10 0 CDAERP CC[C@@H](F)C[NH2+]CCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001723022902 1181511032 /nfs/dbraw/zinc/51/10/32/1181511032.db2.gz MCUUWDFJACSPEC-CABCVRRESA-N 2 0 299.434 1.514 10 0 CDAERP CC[C@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@H]1[NH2+]CCOC ZINC001723385288 1181545922 /nfs/dbraw/zinc/54/59/22/1181545922.db2.gz LVIDEUNHMBDAST-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@H](NC(=O)C[N@H+](C)C1CCC1)[C@H](C)[NH2+]CC1CC1 ZINC001725094522 1181856175 /nfs/dbraw/zinc/85/61/75/1181856175.db2.gz PSXDQLDMPNKTOS-RYUDHWBXSA-N 2 0 267.417 1.364 10 0 CDAERP CCCC[N@H+]1CC=C(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001725868860 1182149565 /nfs/dbraw/zinc/14/95/65/1182149565.db2.gz WJXRJZIWUFBHBK-UHFFFAOYSA-N 2 0 293.455 1.877 10 0 CDAERP CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001731394489 1182357946 /nfs/dbraw/zinc/35/79/46/1182357946.db2.gz XALWHIBYFJANKS-ZIAGYGMSSA-N 2 0 267.417 1.364 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001732156732 1182816475 /nfs/dbraw/zinc/81/64/75/1182816475.db2.gz CSPRAQNALYXAPF-XFCCUVRLSA-N 2 0 293.455 1.970 10 0 CDAERP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](CCCCCF)C1 ZINC001732169902 1182829132 /nfs/dbraw/zinc/82/91/32/1182829132.db2.gz WZJGUUWRUNJBNT-CQSZACIVSA-N 2 0 287.423 1.611 10 0 CDAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH2+]CCCF ZINC001732198182 1182851521 /nfs/dbraw/zinc/85/15/21/1182851521.db2.gz FYNAEGVMSVMUDY-MELADBBJSA-N 2 0 287.423 1.561 10 0 CDAERP CC(C)OCC[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001732437778 1182964618 /nfs/dbraw/zinc/96/46/18/1182964618.db2.gz OBPVPXZFHRTLAW-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)OCC[NH2+]C[C@@H](C)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001732447141 1182970952 /nfs/dbraw/zinc/97/09/52/1182970952.db2.gz DMFPHCZUHPDVBO-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP C[C@@H](CC[NH2+]Cc1cccnc1)NC(=O)CC[NH+](C)C ZINC001732726121 1183100450 /nfs/dbraw/zinc/10/04/50/1183100450.db2.gz LGLMJQJCOAFDBZ-ZDUSSCGKSA-N 2 0 278.400 1.018 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CC[NH2+]CC1CCOCC1 ZINC001732753617 1183108163 /nfs/dbraw/zinc/10/81/63/1183108163.db2.gz GGJSZIHCEOZXBD-CQSZACIVSA-N 2 0 299.459 1.238 10 0 CDAERP CCC(CC)C[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001732810842 1183133214 /nfs/dbraw/zinc/13/32/14/1183133214.db2.gz KABASRKNAWCHQV-OAHLLOKOSA-N 2 0 283.460 1.812 10 0 CDAERP CCN(CC[NH2+]CCC1CC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001732807914 1183133730 /nfs/dbraw/zinc/13/37/30/1183133730.db2.gz ULBWUDRRHWDUBW-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP COC[C@H](C)[NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001732886706 1183171227 /nfs/dbraw/zinc/17/12/27/1183171227.db2.gz TWEUDNVKXJTDMC-GJBLVYBDSA-N 2 0 297.443 1.158 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]CCOC(C)C)CC[N@@H+]1C ZINC001732955278 1183203523 /nfs/dbraw/zinc/20/35/23/1183203523.db2.gz GHZFQMZVIFSNQW-QLFBSQMISA-N 2 0 299.459 1.236 10 0 CDAERP CC[NH2+]CCCN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001733133383 1183303670 /nfs/dbraw/zinc/30/36/70/1183303670.db2.gz HKOZBGFMNFIHSG-UHFFFAOYSA-N 2 0 277.412 1.820 10 0 CDAERP CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001733296291 1183382477 /nfs/dbraw/zinc/38/24/77/1183382477.db2.gz GFKPVAVSWBGORW-OAHLLOKOSA-N 2 0 267.417 1.271 10 0 CDAERP CC[NH2+]C[C@]1(C)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001733442377 1183433750 /nfs/dbraw/zinc/43/37/50/1183433750.db2.gz WVYUTSRPTJMMHI-HIFRSBDPSA-N 2 0 267.417 1.176 10 0 CDAERP C[C@H](O)CCC[NH2+]C1(C)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001733867848 1183555088 /nfs/dbraw/zinc/55/50/88/1183555088.db2.gz RJWKQLOVIXFRDY-AWEZNQCLSA-N 2 0 299.459 1.070 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001733925538 1183568665 /nfs/dbraw/zinc/56/86/65/1183568665.db2.gz OFINWQHFZGKKLF-CVEARBPZSA-N 2 0 293.455 1.970 10 0 CDAERP COCCC[N@H+]1CC=C(CNC(=O)C[NH+](C)C(C)C)CC1 ZINC001734636207 1183855557 /nfs/dbraw/zinc/85/55/57/1183855557.db2.gz GFXMQYDAXFZVLX-UHFFFAOYSA-N 2 0 297.443 1.111 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCCC[C@H]1[NH3+])[N@H+](C)C1CC1 ZINC000300407824 1186371613 /nfs/dbraw/zinc/37/16/13/1186371613.db2.gz WCNBDDZTZIUJSE-RAIGVLPGSA-N 2 0 253.390 1.103 10 0 CDAERP CS(=O)(=O)c1ccc(C[NH2+]CCn2ccnc2)cc1 ZINC000311381710 1186684242 /nfs/dbraw/zinc/68/42/42/1186684242.db2.gz NFFVFDMQTRHNEZ-UHFFFAOYSA-N 2 0 279.365 1.076 10 0 CDAERP OCCCOCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423104999 1186723384 /nfs/dbraw/zinc/72/33/84/1186723384.db2.gz HZRSFCVHOUIFDU-SOUVJXGZSA-N 2 0 270.417 1.286 10 0 CDAERP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2[NH2+]CC[C@@H]3CCCC[C@H]23)C1 ZINC000383700965 1187267110 /nfs/dbraw/zinc/26/71/10/1187267110.db2.gz CJMNYLOGXUGZLV-CBBWQLFWSA-N 2 0 279.428 1.223 10 0 CDAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=[NH2+])NCCC2CC2)C1 ZINC000864451602 1164543078 /nfs/dbraw/zinc/54/30/78/1164543078.db2.gz XXUNTTNBXGRUHO-CQSZACIVSA-N 2 0 282.432 1.257 10 0 CDAERP CN(CC[NH2+]CC1CC(F)(F)C1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001567476069 1168059458 /nfs/dbraw/zinc/05/94/58/1168059458.db2.gz SCZKEPACMPMPRC-LBPRGKRZSA-N 2 0 289.370 1.174 10 0 CDAERP CC(C)=CC[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001566439925 1168272031 /nfs/dbraw/zinc/27/20/31/1168272031.db2.gz VTOHCGHKAZEOAC-AWEZNQCLSA-N 2 0 267.417 1.485 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NCCC[NH+](CCCF)C2CC2)C1 ZINC001566603000 1168353768 /nfs/dbraw/zinc/35/37/68/1168353768.db2.gz WBCGKQGXBYGMRU-ZDUSSCGKSA-N 2 0 285.407 1.268 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC1CC1 ZINC001272300715 912729034 /nfs/dbraw/zinc/72/90/34/912729034.db2.gz GFQGDCWEDJXYTQ-ZIAGYGMSSA-N 2 0 267.417 1.223 10 0 CDAERP CC/C=C/CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001266583444 895456674 /nfs/dbraw/zinc/45/66/74/895456674.db2.gz XSOHTEMPYLGPBS-PINBIDLJSA-N 2 0 279.428 1.674 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+]CCCCCF)C1 ZINC001266730048 895929014 /nfs/dbraw/zinc/92/90/14/895929014.db2.gz JJWPGWWVBRTVNV-OKILXGFUSA-N 2 0 285.407 1.459 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001266881056 896273532 /nfs/dbraw/zinc/27/35/32/896273532.db2.gz RZPCHQVRDYUNTD-HNNXBMFYSA-N 2 0 293.455 1.853 10 0 CDAERP CCOCC[NH2+]C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001266885375 896275145 /nfs/dbraw/zinc/27/51/45/896275145.db2.gz XJOREOVSEOVOCB-OAHLLOKOSA-N 2 0 297.443 1.089 10 0 CDAERP COCCCC[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001267023011 896582433 /nfs/dbraw/zinc/58/24/33/896582433.db2.gz PQCMGAUZVDXUGH-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+]CC1CC(C)C1 ZINC001267117657 896840358 /nfs/dbraw/zinc/84/03/58/896840358.db2.gz UTGUADPHFUFHBN-UHFFFAOYSA-N 2 0 269.433 1.421 10 0 CDAERP C[C@H](CCNC(=O)C1([NH+](C)C)CCC1)[NH2+]CCCF ZINC001267131061 896884853 /nfs/dbraw/zinc/88/48/53/896884853.db2.gz BUZLBWXZFGWBOW-GFCCVEGCSA-N 2 0 273.396 1.315 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001480923170 897079941 /nfs/dbraw/zinc/07/99/41/897079941.db2.gz NCRFKOWJRNKLQX-GJZGRUSLSA-N 2 0 281.444 1.851 10 0 CDAERP CC(C)C[N@H+](C)CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001480950308 898089693 /nfs/dbraw/zinc/08/96/93/898089693.db2.gz GSNMNQHCZUCDKI-OKILXGFUSA-N 2 0 269.433 1.563 10 0 CDAERP CC[C@H](F)CN(C)CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001480952159 898123935 /nfs/dbraw/zinc/12/39/35/898123935.db2.gz YGKRTDGEAISQDI-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP COc1ccccc1OCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000695236579 899163288 /nfs/dbraw/zinc/16/32/88/899163288.db2.gz LMYKSBAZGOQHKU-HUUCEWRRSA-N 2 0 276.380 1.934 10 0 CDAERP CCCCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001267735162 899446589 /nfs/dbraw/zinc/44/65/89/899446589.db2.gz MQWGGBSFUCBECM-AWEZNQCLSA-N 2 0 269.433 1.707 10 0 CDAERP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CCCCCF)C1 ZINC001267757957 899609140 /nfs/dbraw/zinc/60/91/40/899609140.db2.gz GFHSXLYHNZOMNV-LSDHHAIUSA-N 2 0 299.434 1.753 10 0 CDAERP CCCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001496372180 900261430 /nfs/dbraw/zinc/26/14/30/900261430.db2.gz VRTYXBOUWJGYBA-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@@H](C(=O)N(C)CC[NH2+]C/C=C\Cl)[NH+](C)C ZINC001481304060 900280359 /nfs/dbraw/zinc/28/03/59/900280359.db2.gz HHGSCOSEKUIQPS-ZADCQDASSA-N 2 0 261.797 1.127 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]CCCC1CCC1 ZINC001268013990 900298055 /nfs/dbraw/zinc/29/80/55/900298055.db2.gz ITKVJECTWAZGLT-GDBMZVCRSA-N 2 0 295.471 1.860 10 0 CDAERP CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001268107218 901302589 /nfs/dbraw/zinc/30/25/89/901302589.db2.gz WKUVRDIAUFPSCB-STQMWFEESA-N 2 0 255.406 1.221 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CC[NH2+]CCF)CC[N@@H+]1C ZINC001268157290 901441075 /nfs/dbraw/zinc/44/10/75/901441075.db2.gz WWQLWYFGFQEULK-QLFBSQMISA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@@H]1C[NH2+]CCF ZINC001268198831 901556389 /nfs/dbraw/zinc/55/63/89/901556389.db2.gz XMOUSHRSVOYNRN-KGLIPLIRSA-N 2 0 287.423 1.513 10 0 CDAERP CC(C)=CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268424466 902039262 /nfs/dbraw/zinc/03/92/62/902039262.db2.gz VEXZDRIDCJDNQL-ZIAGYGMSSA-N 2 0 267.417 1.389 10 0 CDAERP CC(C)[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001268595115 902727524 /nfs/dbraw/zinc/72/75/24/902727524.db2.gz HBMNYNGMDMTHKK-IDTUSYRASA-N 2 0 281.444 1.920 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001269078772 903402307 /nfs/dbraw/zinc/40/23/07/903402307.db2.gz RMCBFDJRRXVVLX-LFAOLKIESA-N 2 0 281.444 1.875 10 0 CDAERP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CCOCC(C)C)C1)[NH+](C)C ZINC001269186727 903519838 /nfs/dbraw/zinc/51/98/38/903519838.db2.gz FKVJFLFRFXZSPS-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@H](C)C[NH+]1CC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001482244970 904137504 /nfs/dbraw/zinc/13/75/04/904137504.db2.gz NAVIPGQHZLFQQQ-HNNXBMFYSA-N 2 0 295.471 1.909 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1ccc(CN(C)C)o1 ZINC001363181932 904312392 /nfs/dbraw/zinc/31/23/92/904312392.db2.gz SRNNODPJAFMNOM-LBPRGKRZSA-N 2 0 281.400 1.800 10 0 CDAERP CCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001270726555 904994110 /nfs/dbraw/zinc/99/41/10/904994110.db2.gz GZRPCQYNWDHGHF-BFYDXBDKSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]CC1CC1 ZINC001482427732 905362820 /nfs/dbraw/zinc/36/28/20/905362820.db2.gz CHXOCVGKEBKLBY-TZMCWYRMSA-N 2 0 267.417 1.175 10 0 CDAERP CC[NH2+][C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C(C)C ZINC001482535595 906907188 /nfs/dbraw/zinc/90/71/88/906907188.db2.gz BHAMEFKFETZWED-KGLIPLIRSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CCCF ZINC001271922995 906982067 /nfs/dbraw/zinc/98/20/67/906982067.db2.gz OVBHWWBYJIJDBS-UONOGXRCSA-N 2 0 287.423 1.418 10 0 CDAERP CC(C)=CC[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001567928775 1169074159 /nfs/dbraw/zinc/07/41/59/1169074159.db2.gz PBQZUHBSQXUASI-OAHLLOKOSA-N 2 0 281.444 1.826 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001272081029 908051621 /nfs/dbraw/zinc/05/16/21/908051621.db2.gz WNIAIXMAQBPPFI-ZIAGYGMSSA-N 2 0 269.433 1.517 10 0 CDAERP CN(C/C=C/Cl)CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482642738 908109429 /nfs/dbraw/zinc/10/94/29/908109429.db2.gz RNUKPOUSAYJHLU-DIECRNLCSA-N 2 0 287.835 1.471 10 0 CDAERP C[C@H](CC[NH2+]Cc1ccsc1)NC(=O)C[NH+]1CCCC1 ZINC001482898600 908464009 /nfs/dbraw/zinc/46/40/09/908464009.db2.gz GDZPPUSJWCYJPE-CYBMUJFWSA-N 2 0 295.452 1.828 10 0 CDAERP CC(C)CCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482899930 908466197 /nfs/dbraw/zinc/46/61/97/908466197.db2.gz YOVOTBQXIANIIY-HUUCEWRRSA-N 2 0 283.460 1.859 10 0 CDAERP CC[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001483017757 908694769 /nfs/dbraw/zinc/69/47/69/908694769.db2.gz MFOZZRZZDUVCEP-LLYBFZRZSA-N 2 0 279.428 1.675 10 0 CDAERP C[N@H+](CC(=O)NC/C=C\C[NH2+]C/C=C\Cl)C1CCC1 ZINC001483019215 908695711 /nfs/dbraw/zinc/69/57/11/908695711.db2.gz WTEJCYQZXNXVDW-FKVZMRKJSA-N 2 0 285.819 1.485 10 0 CDAERP CCCCCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001483116509 909468554 /nfs/dbraw/zinc/46/85/54/909468554.db2.gz LETJUTUPIFNFMV-ZIAGYGMSSA-N 2 0 269.433 1.755 10 0 CDAERP CC/C=C/CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001483192833 909948114 /nfs/dbraw/zinc/94/81/14/909948114.db2.gz HDPQRSXAMLVRDS-QAMKJQMISA-N 2 0 267.417 1.389 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)[NH2+]Cc1cncc(F)c1 ZINC001409416562 910380250 /nfs/dbraw/zinc/38/02/50/910380250.db2.gz QWIKOBOYSWLXDB-VXGBXAGGSA-N 2 0 296.390 1.155 10 0 CDAERP CC[N@H+](C)C[C@H](C)NC(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC001483339525 910936752 /nfs/dbraw/zinc/93/67/52/910936752.db2.gz IMNVOHKOHVJQFB-SMDDNHRTSA-N 2 0 293.415 1.246 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001483440987 911120280 /nfs/dbraw/zinc/12/02/80/911120280.db2.gz HLFSTBULHCJWMI-HUUCEWRRSA-N 2 0 283.460 1.859 10 0 CDAERP CC[NH2+]CC[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001568067002 1169131544 /nfs/dbraw/zinc/13/15/44/1169131544.db2.gz UQWXQCJMANWNST-AWEZNQCLSA-N 2 0 281.444 1.566 10 0 CDAERP CCC[NH2+]CCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001483466272 911156372 /nfs/dbraw/zinc/15/63/72/911156372.db2.gz DJWHCMUNRJNCMX-AWEZNQCLSA-N 2 0 267.417 1.176 10 0 CDAERP COCCC[NH2+]CCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001483476246 911168519 /nfs/dbraw/zinc/16/85/19/911168519.db2.gz XVUAKNYXSSUNCZ-UHFFFAOYSA-N 2 0 297.443 1.089 10 0 CDAERP CCC[NH2+]CCCN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001483492315 911188572 /nfs/dbraw/zinc/18/85/72/911188572.db2.gz CTLQSRHZSCYSMS-UHFFFAOYSA-N 2 0 271.449 1.812 10 0 CDAERP CC(C)C[C@@H](C)C[NH+]1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001483877066 915166367 /nfs/dbraw/zinc/16/63/67/915166367.db2.gz NGECPKLRSUUGOL-CQSZACIVSA-N 2 0 283.460 1.763 10 0 CDAERP CCC[N@@H+]1CC[C@@](C)(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001484066951 915375995 /nfs/dbraw/zinc/37/59/95/915375995.db2.gz DUPSQBMCLQKVMU-UKRRQHHQSA-N 2 0 267.417 1.319 10 0 CDAERP CC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1C ZINC001484385729 915707621 /nfs/dbraw/zinc/70/76/21/915707621.db2.gz OKYFSUSRCMKGQN-JKSUJKDBSA-N 2 0 295.471 1.957 10 0 CDAERP C[N@H+](CC(=O)N1CC[C@H](CC[NH2+]CCF)C1)C1CCC1 ZINC001484524795 915855770 /nfs/dbraw/zinc/85/57/70/915855770.db2.gz LWPZCJOGRPPDBQ-ZDUSSCGKSA-N 2 0 285.407 1.268 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](CC[NH2+]CCCF)C2)C1 ZINC001484537011 915865133 /nfs/dbraw/zinc/86/51/33/915865133.db2.gz CYBUMNSQOPQEJY-CABCVRRESA-N 2 0 299.434 1.516 10 0 CDAERP CCOCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001484721364 916103174 /nfs/dbraw/zinc/10/31/74/916103174.db2.gz GEQMASNHGFFSCH-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)C(C)C ZINC001485323520 916839125 /nfs/dbraw/zinc/83/91/25/916839125.db2.gz PZTLWEWISMIKEJ-GJZGRUSLSA-N 2 0 283.460 1.952 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC1CC1 ZINC001485388988 916940236 /nfs/dbraw/zinc/94/02/36/916940236.db2.gz PUOFYPAVINBPJZ-HIFRSBDPSA-N 2 0 281.444 1.707 10 0 CDAERP CCC[NH2+]C[C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001485687119 917183797 /nfs/dbraw/zinc/18/37/97/917183797.db2.gz TXBDLBJLTPRFJO-RBSFLKMASA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H]([NH2+]CCCN1CCOC1=O)C1CC[NH+](C)CC1 ZINC000690498701 919804776 /nfs/dbraw/zinc/80/47/76/919804776.db2.gz VHSSPXBOYYJFPA-LBPRGKRZSA-N 2 0 269.389 1.149 10 0 CDAERP Cc1nc(C)c(C[NH2+][C@H](C)CN(C)C(=O)CC[NH+](C)C)o1 ZINC001485919421 920576123 /nfs/dbraw/zinc/57/61/23/920576123.db2.gz MCNDLDVONSVRCX-LLVKDONJSA-N 2 0 296.415 1.180 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]C[C@H]1CCCOC1 ZINC001485960737 920627617 /nfs/dbraw/zinc/62/76/17/920627617.db2.gz LADANHLFYQGOFQ-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]CCC1CC1)C(C)(C)C ZINC001486408180 920984024 /nfs/dbraw/zinc/98/40/24/920984024.db2.gz AMFOXJGJLAHGGN-AWEZNQCLSA-N 2 0 283.460 1.859 10 0 CDAERP CC[C@H](C)C[N@H+]1CC=C(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001486521065 921094810 /nfs/dbraw/zinc/09/48/10/921094810.db2.gz NZLKFDZHLBEGBN-HNNXBMFYSA-N 2 0 293.455 1.877 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H](C)CC[NH2+]C/C=C\Cl)[NH+](C)C ZINC001273130576 922155970 /nfs/dbraw/zinc/15/59/70/922155970.db2.gz AHEWNYOSXMDASK-UWNIJABGSA-N 2 0 289.851 1.810 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)C(C)C ZINC001568320467 1169242692 /nfs/dbraw/zinc/24/26/92/1169242692.db2.gz ICYKIDGQXGZYIV-CYBMUJFWSA-N 2 0 257.422 1.419 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001490921337 936817296 /nfs/dbraw/zinc/81/72/96/936817296.db2.gz CXQBKGWJLIFJBP-JHJVBQTASA-N 2 0 273.396 1.313 10 0 CDAERP C[NH+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCF ZINC001490973738 936836049 /nfs/dbraw/zinc/83/60/49/936836049.db2.gz CATWUCQHLKTERW-AGUYFDCRSA-N 2 0 285.407 1.409 10 0 CDAERP COCC[NH2+]C1(CNC(=O)C[N@H+](C)CC(C)(C)C)CCC1 ZINC001273154201 923448761 /nfs/dbraw/zinc/44/87/61/923448761.db2.gz KXLBERYWUVBQLH-UHFFFAOYSA-N 2 0 299.459 1.239 10 0 CDAERP CCCCCC[N@H+](C)CC(=O)NCCc1cn(C)cn1 ZINC000837716744 936854817 /nfs/dbraw/zinc/85/48/17/936854817.db2.gz DZVFWDDCFYFQLX-UHFFFAOYSA-N 2 0 280.416 1.591 10 0 CDAERP CN(CC[NH2+]Cc1cccc(F)c1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001493654735 923819718 /nfs/dbraw/zinc/81/97/18/923819718.db2.gz KFDFGYCDMGAWLM-OAHLLOKOSA-N 2 0 293.386 1.468 10 0 CDAERP CCOCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001491202496 936874422 /nfs/dbraw/zinc/87/44/22/936874422.db2.gz CYJYFGOVJOJSDL-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001649451771 1169261913 /nfs/dbraw/zinc/26/19/13/1169261913.db2.gz VJPGGKAAUCSYQT-KBPBESRZSA-N 2 0 269.433 1.706 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CCCC[NH+]2CCCF)C1 ZINC001491231346 936881583 /nfs/dbraw/zinc/88/15/83/936881583.db2.gz SJRYGMPWGVOKQJ-HUUCEWRRSA-N 2 0 299.434 1.659 10 0 CDAERP CCN(CCNCc1nccs1)C(=O)C[N@H+](C)C(C)C ZINC001273772383 925522760 /nfs/dbraw/zinc/52/27/60/925522760.db2.gz WNBBGWGYDLSWEM-UHFFFAOYSA-N 2 0 298.456 1.421 10 0 CDAERP Cn1cc([C@H](O)C[NH2+][C@H]2CCCN3CCCC[C@H]23)cn1 ZINC000825651789 925877034 /nfs/dbraw/zinc/87/70/34/925877034.db2.gz DYSPFSOOADXMJT-RRFJBIMHSA-N 2 0 278.400 1.060 10 0 CDAERP CC(C)[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001488683851 926646920 /nfs/dbraw/zinc/64/69/20/926646920.db2.gz OGZSRRKMLKAXGB-KBPBESRZSA-N 2 0 267.417 1.269 10 0 CDAERP C[C@@H](F)CC[NH2+][C@@H]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001488858909 926724558 /nfs/dbraw/zinc/72/45/58/926724558.db2.gz PYBWFIYHVKBOHB-XGUBFFRZSA-N 2 0 299.434 1.561 10 0 CDAERP COCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H]1C ZINC001489305156 926859186 /nfs/dbraw/zinc/85/91/86/926859186.db2.gz NWSSWJMJZFTVBY-ILXRZTDVSA-N 2 0 299.459 1.188 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(CC[NH+](C)CC)C(C)C)CC[N@@H+]1C ZINC001411187786 927191384 /nfs/dbraw/zinc/19/13/84/927191384.db2.gz PYTHHSCVPCUZPB-LSDHHAIUSA-N 2 0 283.460 1.905 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]C(C)C)C1CC1 ZINC001490670847 927277122 /nfs/dbraw/zinc/27/71/22/927277122.db2.gz HBULONPKXGUVSL-HUUCEWRRSA-N 2 0 281.444 1.754 10 0 CDAERP CCC(CC)C[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001490739966 927315630 /nfs/dbraw/zinc/31/56/30/927315630.db2.gz NPCLDGBDPBUGCM-JKSUJKDBSA-N 2 0 295.471 1.859 10 0 CDAERP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1cscn1 ZINC000697866446 937287493 /nfs/dbraw/zinc/28/74/93/937287493.db2.gz VSVLKRMFVIKQKZ-JTQLQIEISA-N 2 0 254.403 1.217 10 0 CDAERP CC[N@H+](CCNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)C(C)C ZINC000861570534 929308302 /nfs/dbraw/zinc/30/83/02/929308302.db2.gz UVOSEOWFRMMMCZ-CHWSQXEVSA-N 2 0 270.421 1.156 10 0 CDAERP CC(C)[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001275827652 932070461 /nfs/dbraw/zinc/07/04/61/932070461.db2.gz KILWLOUKBOBIAD-UONOGXRCSA-N 2 0 269.433 1.704 10 0 CDAERP C[NH2+]CCCCC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000719712386 932231416 /nfs/dbraw/zinc/23/14/16/932231416.db2.gz VLOHCSFLRAHNJM-CYBMUJFWSA-N 2 0 255.406 1.224 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC[C@H]2CCC[N@H+](C)C2)C1 ZINC001412219152 932329735 /nfs/dbraw/zinc/32/97/35/932329735.db2.gz QQWAMZZNNNACSF-OAGGEKHMSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[C@H]1CN(C(=O)CC[NH+]2CC[C@H](F)C2)CC[N@@H+]1C ZINC001412472373 932445479 /nfs/dbraw/zinc/44/54/79/932445479.db2.gz XXEKNVGJSSQNTD-UONOGXRCSA-N 2 0 285.407 1.219 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](Cn1ccnc1)C(C)(C)C ZINC000234805363 932609645 /nfs/dbraw/zinc/60/96/45/932609645.db2.gz ZQMUSQLMDBJXGT-KBPBESRZSA-N 2 0 282.432 1.641 10 0 CDAERP Cn1cncc1CC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925647584 932921442 /nfs/dbraw/zinc/92/14/42/932921442.db2.gz YZJUGPCCNLWHIK-HOTGVXAUSA-N 2 0 276.428 1.721 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000925862012 932946643 /nfs/dbraw/zinc/94/66/43/932946643.db2.gz VSALVBAVINYHPH-PCKAHOCUSA-N 3 0 283.460 1.737 10 0 CDAERP C[C@H](Cn1cccn1)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC001119629730 937741428 /nfs/dbraw/zinc/74/14/28/937741428.db2.gz SZQACGBYWFWCSE-GHMZBOCLSA-N 2 0 258.316 1.106 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001412851610 935059989 /nfs/dbraw/zinc/05/99/89/935059989.db2.gz XJRHFJZQMXNTSQ-OAHLLOKOSA-N 2 0 283.460 1.907 10 0 CDAERP COC[C@H](C[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3)OC ZINC001413092234 935899908 /nfs/dbraw/zinc/89/99/08/935899908.db2.gz HQKSQLGGIWQTIF-HRCADAONSA-N 2 0 282.428 1.456 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC001413424790 936027186 /nfs/dbraw/zinc/02/71/86/936027186.db2.gz DYGCJNRWAKKLNU-VQCLRJIVSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[NH+](CCN[C@H]1C[C@@H]([NH3+])C12CCC2)C(C)C ZINC000405307178 940980546 /nfs/dbraw/zinc/98/05/46/940980546.db2.gz MUELCRXXPUPJNO-KGLIPLIRSA-N 2 0 253.434 1.965 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405351701 940984089 /nfs/dbraw/zinc/98/40/89/940984089.db2.gz OLUQJTGDKAHZFC-RDBSUJKOSA-N 2 0 251.418 1.720 10 0 CDAERP C[NH+](C)C[C@@H]1CCCCN1C(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001362033177 970798199 /nfs/dbraw/zinc/79/81/99/970798199.db2.gz TXBIHEAKRGUGBC-KGLIPLIRSA-N 2 0 285.407 1.363 10 0 CDAERP COC(=O)c1ccoc1CN1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001473703299 970834289 /nfs/dbraw/zinc/83/42/89/970834289.db2.gz HQJOETHKPVXPTK-NEPJUHHUSA-N 2 0 278.352 1.450 10 0 CDAERP CCCCC[NH+]1CC([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001282736843 942746962 /nfs/dbraw/zinc/74/69/62/942746962.db2.gz IGZGBZRADKTHBQ-CQSZACIVSA-N 2 0 293.455 1.709 10 0 CDAERP CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001283508366 942919238 /nfs/dbraw/zinc/91/92/38/942919238.db2.gz QLXRIJVFYPGMPY-KBPBESRZSA-N 2 0 267.417 1.317 10 0 CDAERP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001283900698 943023174 /nfs/dbraw/zinc/02/31/74/943023174.db2.gz WVVODRQSLDHTLV-YOVCOIKASA-N 2 0 281.444 1.873 10 0 CDAERP CCOCC[N@H+](C)CCN(C(=O)[C@H]1CCC[NH+]1C)C(C)C ZINC001284530547 943201565 /nfs/dbraw/zinc/20/15/65/943201565.db2.gz UPJRBDGBCGLAER-OAHLLOKOSA-N 2 0 299.459 1.286 10 0 CDAERP C[C@H](F)CC[N@H+]1CC=C(CNC(=O)CCC[NH+](C)C)CC1 ZINC001284960115 943302042 /nfs/dbraw/zinc/30/20/42/943302042.db2.gz QFTXMAGYOKAJCH-AWEZNQCLSA-N 2 0 299.434 1.825 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]CCCF)CCN1C(=O)CCc1c[nH]cn1 ZINC001277749038 943465665 /nfs/dbraw/zinc/46/56/65/943465665.db2.gz UUGABHJHUATTTQ-STQMWFEESA-N 2 0 296.390 1.671 10 0 CDAERP CCC[NH2+][C@H](C)CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001277853387 943823087 /nfs/dbraw/zinc/82/30/87/943823087.db2.gz FBTIOFXZEXUVNR-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCCNC(=O)C[NH+]1CCCC1 ZINC001265068227 944220851 /nfs/dbraw/zinc/22/08/51/944220851.db2.gz BLTKZWZTAHFGRV-CQSZACIVSA-N 2 0 269.433 1.566 10 0 CDAERP CCC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)C1CC1 ZINC001265166030 944259256 /nfs/dbraw/zinc/25/92/56/944259256.db2.gz PFRCOWBNHPGSOJ-OAHLLOKOSA-N 2 0 281.444 1.851 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](CCCF)C1CC1 ZINC001265171916 944260862 /nfs/dbraw/zinc/26/08/62/944260862.db2.gz ZYFVRIPBMNYKKL-CQSZACIVSA-N 2 0 285.407 1.411 10 0 CDAERP CCOCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001265283520 944320465 /nfs/dbraw/zinc/32/04/65/944320465.db2.gz FYCFIMWZTQBIGC-LSDHHAIUSA-N 2 0 297.443 1.086 10 0 CDAERP CC/C=C/CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001265350388 944353982 /nfs/dbraw/zinc/35/39/82/944353982.db2.gz PBGFKRBSZOZTQL-FZZYSBJUSA-N 2 0 293.455 1.921 10 0 CDAERP CCCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001265630981 944451067 /nfs/dbraw/zinc/45/10/67/944451067.db2.gz UISLMQZRCWPUIF-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001278004931 944556502 /nfs/dbraw/zinc/55/65/02/944556502.db2.gz HQLDGNUPSKYOTE-HNNXBMFYSA-N 2 0 281.444 1.873 10 0 CDAERP CC(C)[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001266006767 944626295 /nfs/dbraw/zinc/62/62/95/944626295.db2.gz PDOKCTUYPPJUJI-KGLIPLIRSA-N 2 0 269.433 1.706 10 0 CDAERP CCCC[NH2+][C@H]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001266067333 944661798 /nfs/dbraw/zinc/66/17/98/944661798.db2.gz KYSGIQSROWLKQC-KBPBESRZSA-N 2 0 269.433 1.755 10 0 CDAERP CCCC[NH2+][C@@H]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001266067335 944662155 /nfs/dbraw/zinc/66/21/55/944662155.db2.gz KYSGIQSROWLKQC-KGLIPLIRSA-N 2 0 269.433 1.755 10 0 CDAERP C[C@H](O)C[N@H+](C)[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001266116686 944690290 /nfs/dbraw/zinc/69/02/90/944690290.db2.gz LYLRUESGEXWPMF-GJZGRUSLSA-N 2 0 299.459 1.022 10 0 CDAERP CC(C)CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001480635265 971169286 /nfs/dbraw/zinc/16/92/86/971169286.db2.gz CXTMEWUQBWAMBZ-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)OCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H]1C ZINC001278323759 946149716 /nfs/dbraw/zinc/14/97/16/946149716.db2.gz AOMRAMPBAHTJLF-CABCVRRESA-N 2 0 297.443 1.086 10 0 CDAERP CN(C[C@@H]1CC[N@@H+]1CC[C@H]1CCCO1)C(=O)CC[NH+](C)C ZINC001479241639 971270963 /nfs/dbraw/zinc/27/09/63/971270963.db2.gz FAXZJUKARUHIPI-LSDHHAIUSA-N 2 0 297.443 1.040 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001362472913 971311674 /nfs/dbraw/zinc/31/16/74/971311674.db2.gz WYQTVKUDZOIOPT-QUHHJHJSSA-N 2 0 293.455 1.848 10 0 CDAERP CC[C@H](C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1CC)OC ZINC001479641293 971356987 /nfs/dbraw/zinc/35/69/87/971356987.db2.gz UEELSVDCCFHHGG-QLFBSQMISA-N 2 0 299.459 1.332 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001362531770 971376237 /nfs/dbraw/zinc/37/62/37/971376237.db2.gz GEQHSFNAKFVUFE-YNEHKIRRSA-N 2 0 271.380 1.019 10 0 CDAERP CCN1CC[C@@H]1C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001362637010 971480730 /nfs/dbraw/zinc/48/07/30/971480730.db2.gz JDXUIUKWXWKZBO-IJEWVQPXSA-N 2 0 293.455 1.850 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001479953741 971507589 /nfs/dbraw/zinc/50/75/89/971507589.db2.gz YNNFDZGJELXCPV-WRANKLGHSA-N 2 0 293.455 1.873 10 0 CDAERP CCCC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001480021950 971540768 /nfs/dbraw/zinc/54/07/68/971540768.db2.gz TYUDYZOVZNAOMD-BPLDGKMQSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001480138610 971598195 /nfs/dbraw/zinc/59/81/95/971598195.db2.gz IZDUJEJZTLKOJC-MXAVVETBSA-N 2 0 297.418 1.313 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001569061789 1169624968 /nfs/dbraw/zinc/62/49/68/1169624968.db2.gz PCVUIZDRTAZBQU-RYUDHWBXSA-N 2 0 273.396 1.313 10 0 CDAERP C[C@@H](C[NH2+]CCC1CC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001569077504 1169632824 /nfs/dbraw/zinc/63/28/24/1169632824.db2.gz YFKOAEJKVOUKNI-LBPRGKRZSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC001362943656 971749796 /nfs/dbraw/zinc/74/97/96/971749796.db2.gz LWXPFYVKFYZHAT-KGLIPLIRSA-N 2 0 281.444 1.517 10 0 CDAERP CC(C)OCCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001480485395 971750936 /nfs/dbraw/zinc/75/09/36/971750936.db2.gz AHVMSJZXSSSUPU-LSDHHAIUSA-N 2 0 299.459 1.380 10 0 CDAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1cccnc1 ZINC001480537066 971773863 /nfs/dbraw/zinc/77/38/63/971773863.db2.gz MKRWXNHXTUCSDO-ZIAGYGMSSA-N 2 0 290.411 1.018 10 0 CDAERP CC[N@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)CC[C@H](C)F ZINC001493020677 971925182 /nfs/dbraw/zinc/92/51/82/971925182.db2.gz GPMNWIXSUSYOPV-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001324727802 953546692 /nfs/dbraw/zinc/54/66/92/953546692.db2.gz MDCYAMLGDPUEMX-NFAWXSAZSA-N 2 0 267.417 1.175 10 0 CDAERP CC[C@H](F)C[N@@H+]1CCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001493131154 971956110 /nfs/dbraw/zinc/95/61/10/971956110.db2.gz YMDFUYSQYSOUAM-KBPBESRZSA-N 2 0 299.434 1.657 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)NC[C@H]2CCCC[N@H+](C)C2)C1 ZINC001363996264 954111637 /nfs/dbraw/zinc/11/16/37/954111637.db2.gz YTMOAZNYCYFBAR-PMPSAXMXSA-N 2 0 295.471 1.955 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001364348522 954486711 /nfs/dbraw/zinc/48/67/11/954486711.db2.gz PVWXTTLUPMRYEX-CVEARBPZSA-N 2 0 283.460 1.371 10 0 CDAERP CC(C)(O)[C@H](O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC001364363044 954506227 /nfs/dbraw/zinc/50/62/27/954506227.db2.gz POQAPFKQAKBOML-UONOGXRCSA-N 2 0 270.417 1.069 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)NC[C@H](C)[NH+](C)C)CC1 ZINC001299845618 955289615 /nfs/dbraw/zinc/28/96/15/955289615.db2.gz GVHNWIBUHDVNEI-ZDUSSCGKSA-N 2 0 269.433 1.421 10 0 CDAERP CC(C)[C@H](C(=O)N1CC[C@H](C[NH2+]CCCF)C1)[NH+](C)C ZINC001491833801 955459841 /nfs/dbraw/zinc/45/98/41/955459841.db2.gz TWPNGJNTSLCBQJ-ZIAGYGMSSA-N 2 0 287.423 1.370 10 0 CDAERP CC(C)[C@@H](C(=O)N1CC[C@@H](C[NH2+]CCCF)C1)[NH+](C)C ZINC001491811234 955478257 /nfs/dbraw/zinc/47/82/57/955478257.db2.gz TWPNGJNTSLCBQJ-KBPBESRZSA-N 2 0 287.423 1.370 10 0 CDAERP CC[C@H](C(=O)N(C)CC[NH2+]CCC1CC1)[NH+](C)C ZINC001493764176 972111928 /nfs/dbraw/zinc/11/19/28/972111928.db2.gz SEHTVDZFNDRVBF-CYBMUJFWSA-N 2 0 255.406 1.175 10 0 CDAERP CN(CC[NH2+]CCC1=CCCCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001493793229 972116022 /nfs/dbraw/zinc/11/60/22/972116022.db2.gz DMNQAIVAVQNWKT-MRXNPFEDSA-N 2 0 293.455 1.877 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ocnc1C ZINC001422400957 955982730 /nfs/dbraw/zinc/98/27/30/955982730.db2.gz ODPYWXVAAIWMPJ-VXGBXAGGSA-N 2 0 296.415 1.308 10 0 CDAERP CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001329575526 955995943 /nfs/dbraw/zinc/99/59/43/955995943.db2.gz VDUGVQMVKSCRRX-KGLIPLIRSA-N 2 0 269.433 1.706 10 0 CDAERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]C/C=C\Cl ZINC001422448844 956012593 /nfs/dbraw/zinc/01/25/93/956012593.db2.gz YAHOIQQVXMNDTE-ABZJQCSKSA-N 2 0 273.808 1.318 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH+](C)CC)C2)C1 ZINC001365655547 956269623 /nfs/dbraw/zinc/26/96/23/956269623.db2.gz RGEPDNYDWAWFQH-KBPBESRZSA-N 2 0 282.432 1.206 10 0 CDAERP C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCC1CC1 ZINC001317413985 956269708 /nfs/dbraw/zinc/26/97/08/956269708.db2.gz JJUOCSPSUDRVAF-OCCSQVGLSA-N 2 0 267.417 1.223 10 0 CDAERP CCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001494135025 972183749 /nfs/dbraw/zinc/18/37/49/972183749.db2.gz LQBBIKMLFSYUSU-OWCLPIDISA-N 2 0 295.471 1.907 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001366172006 956618182 /nfs/dbraw/zinc/61/81/82/956618182.db2.gz QAPALBNHYMKTMS-BARDWOONSA-N 2 0 281.444 1.611 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1CCCC[N@@H+]1CC ZINC001366205192 956639812 /nfs/dbraw/zinc/63/98/12/956639812.db2.gz VTRBZFKGBOPCDR-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001316860605 956656589 /nfs/dbraw/zinc/65/65/89/956656589.db2.gz ZJVUGKGVDFGTTD-CABCVRRESA-N 2 0 283.460 1.812 10 0 CDAERP CCC(CC)C[NH2+][C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001366345235 956757906 /nfs/dbraw/zinc/75/79/06/956757906.db2.gz LJYZEZZRZQAOHO-UKRRQHHQSA-N 2 0 283.460 1.859 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001366385070 956786951 /nfs/dbraw/zinc/78/69/51/956786951.db2.gz IGKYVTOYPJGARJ-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001366385071 956787702 /nfs/dbraw/zinc/78/77/02/956787702.db2.gz IGKYVTOYPJGARJ-STQMWFEESA-N 2 0 273.396 1.267 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCCCC[C@@H]([NH2+]CCCO)C1 ZINC001316768884 956910700 /nfs/dbraw/zinc/91/07/00/956910700.db2.gz BUWDACTWMAQKID-OAHLLOKOSA-N 2 0 299.459 1.070 10 0 CDAERP CC(C)[NH2+][C@@H](C)[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001329201613 956954300 /nfs/dbraw/zinc/95/43/00/956954300.db2.gz DHEQYULRZKDZOA-UONOGXRCSA-N 2 0 269.433 1.754 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1CC(C)C)C(C)C ZINC001366620987 957046787 /nfs/dbraw/zinc/04/67/87/957046787.db2.gz PAOIYCZYADUMSJ-OAHLLOKOSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)=CC[N@H+](C)CCCNC(=O)CCc1c[nH]cn1 ZINC001316829343 957052483 /nfs/dbraw/zinc/05/24/83/957052483.db2.gz FYHJKJJCGBRYJS-UHFFFAOYSA-N 2 0 278.400 1.747 10 0 CDAERP CCCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001331439665 957060460 /nfs/dbraw/zinc/06/04/60/957060460.db2.gz OFMWRJFWYITVHW-ZFWWWQNUSA-N 2 0 281.444 1.565 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+]Cc1ccnc(F)c1 ZINC001331505386 957107062 /nfs/dbraw/zinc/10/70/62/957107062.db2.gz SWKUHWCIZYAHMN-UHFFFAOYSA-N 2 0 269.364 1.669 10 0 CDAERP COCCC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001317086349 957260080 /nfs/dbraw/zinc/26/00/80/957260080.db2.gz HIBVXVXKBGDXEM-HDJSIYSDSA-N 2 0 299.459 1.238 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001317127544 957291635 /nfs/dbraw/zinc/29/16/35/957291635.db2.gz IHDYEIJCDGELQQ-OKILXGFUSA-N 2 0 269.433 1.754 10 0 CDAERP CC[C@H](C(=O)NCC1C[NH+](CCC(C)(C)C)C1)[NH+](C)C ZINC001366969612 957309028 /nfs/dbraw/zinc/30/90/28/957309028.db2.gz DUVMJRWUOOCHJR-CQSZACIVSA-N 2 0 283.460 1.811 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H](C[NH2+]CCF)C2)C1 ZINC001317164622 957313258 /nfs/dbraw/zinc/31/32/58/957313258.db2.gz ZDYCCFVTTIRYDK-KGLIPLIRSA-N 2 0 285.407 1.126 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H](C[NH2+]CCF)C1 ZINC001317162493 957314055 /nfs/dbraw/zinc/31/40/55/957314055.db2.gz UEUKCPSFKLPBLF-ZDUSSCGKSA-N 2 0 273.396 1.126 10 0 CDAERP CC(C)C[NH2+]CC1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001424727734 957325429 /nfs/dbraw/zinc/32/54/29/957325429.db2.gz LBMOVGFPVLAOST-XSCHDIRWSA-N 2 0 281.444 1.467 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CCCC(C)C)C1)[NH+](C)C ZINC001367009681 957332130 /nfs/dbraw/zinc/33/21/30/957332130.db2.gz VWIPIYNSMHIPJL-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)OCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001317242750 957373338 /nfs/dbraw/zinc/37/33/38/957373338.db2.gz RWSFVWLQYVRMJN-CABCVRRESA-N 2 0 299.459 1.379 10 0 CDAERP CC(C)[NH2+]CC(C)(C)CN(C)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001424892734 957393642 /nfs/dbraw/zinc/39/36/42/957393642.db2.gz XWWKTLKJXSCJTK-KRWDZBQOSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)[NH2+]CCCF ZINC001317274901 957397802 /nfs/dbraw/zinc/39/78/02/957397802.db2.gz HKIMUDRWGLFQCQ-CYBMUJFWSA-N 2 0 299.434 1.562 10 0 CDAERP CCCC[NH2+]CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001317587376 957585588 /nfs/dbraw/zinc/58/55/88/957585588.db2.gz JAKABTATZJVHPW-AWEZNQCLSA-N 2 0 267.417 1.176 10 0 CDAERP CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001494683459 972287114 /nfs/dbraw/zinc/28/71/14/972287114.db2.gz FUFYNVOQUIHYCC-PMPSAXMXSA-N 2 0 293.455 1.804 10 0 CDAERP CN(C(=O)CC[NH+](C)C)C1CC([NH2+]Cc2ccccc2)C1 ZINC001426219880 957848291 /nfs/dbraw/zinc/84/82/91/957848291.db2.gz SWAPZMIGXPLINN-UHFFFAOYSA-N 2 0 289.423 1.717 10 0 CDAERP CN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC([NH2+]C/C=C/Cl)C1 ZINC001426222772 957849872 /nfs/dbraw/zinc/84/98/72/957849872.db2.gz JBLDPUQLWRBKBX-KJMZVRIGSA-N 2 0 299.846 1.660 10 0 CDAERP CC(C)[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC1CC1)[NH+]1CCCC1 ZINC001367288544 957907760 /nfs/dbraw/zinc/90/77/60/957907760.db2.gz NWESZVCZXUSDED-HOCLYGCPSA-N 2 0 295.471 1.859 10 0 CDAERP Cc1nocc1C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001367349151 957960112 /nfs/dbraw/zinc/96/01/12/957960112.db2.gz AFRWTRGCCVFBLX-FZMZJTMJSA-N 2 0 294.399 1.014 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001318415674 958091105 /nfs/dbraw/zinc/09/11/05/958091105.db2.gz ZVVAQEARCORYRC-LSDHHAIUSA-N 2 0 299.459 1.286 10 0 CDAERP CC(C)CC[N@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001367517129 958092884 /nfs/dbraw/zinc/09/28/84/958092884.db2.gz BWJHVWUUPRCEHZ-HNNXBMFYSA-N 2 0 283.460 1.907 10 0 CDAERP COCC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001367540256 958115658 /nfs/dbraw/zinc/11/56/58/958115658.db2.gz FYKLQYKQMUSQBR-CABCVRRESA-N 2 0 297.443 1.040 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N[C@@](C)(C[NH2+]CCCF)C2CC2)C1 ZINC001318727250 958246692 /nfs/dbraw/zinc/24/66/92/958246692.db2.gz KQZRXZGKFLNXEX-WFASDCNBSA-N 2 0 285.407 1.172 10 0 CDAERP CC(C)[NH2+]CC[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001318830294 958274736 /nfs/dbraw/zinc/27/47/36/958274736.db2.gz DZPWBZXBJVXLHN-CQSZACIVSA-N 2 0 269.433 1.565 10 0 CDAERP CC[N@H+](C)CCC(=O)NCC1=CC[NH+](CC2CCC2)CC1 ZINC001333431771 958335679 /nfs/dbraw/zinc/33/56/79/958335679.db2.gz HGCYKBGAHYLWKA-UHFFFAOYSA-N 2 0 293.455 1.877 10 0 CDAERP Cc1cccc(C[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C)c1 ZINC001367836333 958415033 /nfs/dbraw/zinc/41/50/33/958415033.db2.gz RAEVMAMMZIWFOG-OAHLLOKOSA-N 2 0 291.439 1.883 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C[NH2+]CCF ZINC001319195090 958424435 /nfs/dbraw/zinc/42/44/35/958424435.db2.gz FJHHFJMUYISXAO-HIFRSBDPSA-N 2 0 299.434 1.705 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCCF)CCCC1 ZINC001319372749 958524193 /nfs/dbraw/zinc/52/41/93/958524193.db2.gz PHSPLXHVCCLVSM-AWEZNQCLSA-N 2 0 299.434 1.849 10 0 CDAERP C[C@@H](C[NH2+]CCC(C)(C)C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001319435387 958557007 /nfs/dbraw/zinc/55/70/07/958557007.db2.gz CDSSZLMKTACEKO-UONOGXRCSA-N 2 0 283.460 1.953 10 0 CDAERP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+](Cc2ccccn2)C1 ZINC001368163877 958681175 /nfs/dbraw/zinc/68/11/75/958681175.db2.gz SSZGXOHJBDHBHC-MRXNPFEDSA-N 2 0 290.411 1.114 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1CC[NH2+]CCCO ZINC001319790451 958725656 /nfs/dbraw/zinc/72/56/56/958725656.db2.gz JZBDLFSFHYUPIV-OAHLLOKOSA-N 2 0 299.459 1.070 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CCC(C)C)C[C@@H]2C1 ZINC001368364123 958786160 /nfs/dbraw/zinc/78/61/60/958786160.db2.gz LSRRGBDJBJBTPQ-IYBDPMFKSA-N 2 0 295.471 1.765 10 0 CDAERP CCC[NH2+][C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)C ZINC001319943289 958800350 /nfs/dbraw/zinc/80/03/50/958800350.db2.gz HNERVMFLQDMLLC-ZIAGYGMSSA-N 2 0 269.433 1.469 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](C[C@@H](C)O)[C@@H]1CC ZINC001368701567 959055298 /nfs/dbraw/zinc/05/52/98/959055298.db2.gz DGTRTQPTLZXJBK-QLFBSQMISA-N 2 0 299.459 1.068 10 0 CDAERP C[C@H](Cc1c[nH]cn1)C(=O)N[C@H]1CC[N@H+](CC2CC2)[C@@H]1C ZINC001368786013 959123905 /nfs/dbraw/zinc/12/39/05/959123905.db2.gz SJMBUEAJIFFWJW-JMSVASOKSA-N 2 0 290.411 1.577 10 0 CDAERP C[C@H](F)CC[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001368801961 959141095 /nfs/dbraw/zinc/14/10/95/959141095.db2.gz HXFWYLMEPIOERB-GJZGRUSLSA-N 2 0 299.434 1.753 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C1C[NH+](CC2CCC2)C1 ZINC001369087974 959450359 /nfs/dbraw/zinc/45/03/59/959450359.db2.gz ARVDVRKCAWLEIZ-ZDUSSCGKSA-N 2 0 281.444 1.563 10 0 CDAERP O=C(NC/C=C/C[NH2+]CCF)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001321089915 959587295 /nfs/dbraw/zinc/58/72/95/959587295.db2.gz COQFOHFJQVYDHI-NHZBNJEXSA-N 2 0 297.418 1.625 10 0 CDAERP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CCF ZINC001369270328 959592346 /nfs/dbraw/zinc/59/23/46/959592346.db2.gz QSMIHXAJCWONIK-AGIUHOORSA-N 2 0 273.396 1.123 10 0 CDAERP CCCC[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001321206852 959657780 /nfs/dbraw/zinc/65/77/80/959657780.db2.gz ANWMJLSGRGJFLQ-KXLSMFKISA-N 2 0 281.444 1.779 10 0 CDAERP Cc1cc(NC(=O)NCC[N@@H+](C)C(C)C)cc(C)n1 ZINC001335427731 959795091 /nfs/dbraw/zinc/79/50/91/959795091.db2.gz FSSAHIMKIMIZNO-UHFFFAOYSA-N 2 0 264.373 1.582 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+][C@@H]1CCc2ccccc21 ZINC001371343235 972478269 /nfs/dbraw/zinc/47/82/69/972478269.db2.gz FKQITBOCOZTRGH-XJKSGUPXSA-N 2 0 289.423 1.720 10 0 CDAERP C([C@H]1CCCO1)[C@@H]1COCCN1C[C@@H]1CCC[NH2+]C1 ZINC001336092342 960198172 /nfs/dbraw/zinc/19/81/72/960198172.db2.gz AMFPDBOGJJLDQG-RBSFLKMASA-N 2 0 268.401 1.256 10 0 CDAERP CO[C@H](C)C[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001370904670 960231200 /nfs/dbraw/zinc/23/12/00/960231200.db2.gz BNOBAFFVKLLVQJ-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCF)C1CC1 ZINC001323081142 960437749 /nfs/dbraw/zinc/43/77/49/960437749.db2.gz NSVSHTFULCWLAI-LSDHHAIUSA-N 2 0 299.434 1.703 10 0 CDAERP CC(C)C[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001371477003 972526063 /nfs/dbraw/zinc/52/60/63/972526063.db2.gz WCLPBZQTCNTOPT-CABCVRRESA-N 2 0 283.460 1.857 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC001434223927 961097859 /nfs/dbraw/zinc/09/78/59/961097859.db2.gz HPDWZZNAXOCIQB-BARDWOONSA-N 2 0 293.455 1.848 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001324131095 961189017 /nfs/dbraw/zinc/18/90/17/961189017.db2.gz UEMWSZIWACQMKN-CABCVRRESA-N 2 0 279.428 1.627 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001324224162 961246849 /nfs/dbraw/zinc/24/68/49/961246849.db2.gz ZZKIPYGXNKEUJH-ZDUSSCGKSA-N 2 0 255.406 1.319 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001419172902 961465284 /nfs/dbraw/zinc/46/52/84/961465284.db2.gz JTDGTPRBAVIPAX-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]C[C@@H](F)CC ZINC001419192897 961490353 /nfs/dbraw/zinc/49/03/53/961490353.db2.gz RGYUCTZMACIXHS-QWHCGFSZSA-N 2 0 287.423 1.703 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC1CCCC1)C1CC1 ZINC001419274089 961573010 /nfs/dbraw/zinc/57/30/10/961573010.db2.gz JECZYAVTXAOXFT-HZPDHXFCSA-N 2 0 293.455 1.755 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N(C)C[C@@H]2CC[NH+]2CCC2CC2)C1 ZINC001436322959 962176993 /nfs/dbraw/zinc/17/69/93/962176993.db2.gz NRYJXITWFFFTDH-HOCLYGCPSA-N 2 0 293.455 1.661 10 0 CDAERP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]C/C=C/Cl ZINC001419933704 962250444 /nfs/dbraw/zinc/25/04/44/962250444.db2.gz KTUXNPWCKSULIW-PBYRWIMMSA-N 2 0 287.835 1.421 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]2C[NH+](CC)CC[C@@H]21 ZINC001436942947 962513188 /nfs/dbraw/zinc/51/31/88/962513188.db2.gz IBZBABPPVVTUSF-GJZGRUSLSA-N 2 0 281.444 1.661 10 0 CDAERP CO[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001436956418 962526713 /nfs/dbraw/zinc/52/67/13/962526713.db2.gz VJTXWLYFMQODPT-BYNSBNAKSA-N 2 0 297.443 1.133 10 0 CDAERP C[C@H](C[NH2+]Cc1ccccc1F)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001420272337 962664137 /nfs/dbraw/zinc/66/41/37/962664137.db2.gz MLQRZYHQUAFIEZ-DOMZBBRYSA-N 2 0 293.386 1.514 10 0 CDAERP Cc1cc(C[NH2+][C@H](C)CCNC(=O)C[N@H+](C)C(C)C)on1 ZINC001437430484 962882615 /nfs/dbraw/zinc/88/26/15/962882615.db2.gz ZDMCFAYVSKVFQN-GFCCVEGCSA-N 2 0 296.415 1.308 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1c(C)noc1C)[NH+](C)C ZINC001420431866 962902578 /nfs/dbraw/zinc/90/25/78/962902578.db2.gz DFGJPBCLITXXLZ-IINYFYTJSA-N 2 0 296.415 1.226 10 0 CDAERP CC1CC(C[N@H+](CCNC(=O)C[NH+]2CCCC2)C2CC2)C1 ZINC001437822335 963197430 /nfs/dbraw/zinc/19/74/30/963197430.db2.gz UQDDDXKNNREMCY-UHFFFAOYSA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001437943659 963247811 /nfs/dbraw/zinc/24/78/11/963247811.db2.gz MWDXKJDJESUXME-OAHLLOKOSA-N 2 0 283.460 1.812 10 0 CDAERP C[C@@H](F)CC[NH2+]C1(CNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001420958605 963385451 /nfs/dbraw/zinc/38/54/51/963385451.db2.gz JTFGHBSDRJCGCS-GFCCVEGCSA-N 2 0 285.407 1.457 10 0 CDAERP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1conc1C ZINC001438363016 963431498 /nfs/dbraw/zinc/43/14/98/963431498.db2.gz FAZZYJQEUFJKHC-CQSZACIVSA-N 2 0 294.399 1.063 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]CC1CCCC1 ZINC001438554055 963482795 /nfs/dbraw/zinc/48/27/95/963482795.db2.gz YWBDVYPLSVJZQD-HIFRSBDPSA-N 2 0 281.444 1.470 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N[C@@]2(C)CC[NH+](CCC3CC3)C2)C1 ZINC001421224837 963509293 /nfs/dbraw/zinc/50/92/93/963509293.db2.gz RGOZNDDUYQZKPZ-WBVHZDCISA-N 2 0 293.455 1.709 10 0 CDAERP CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001438767575 963545380 /nfs/dbraw/zinc/54/53/80/963545380.db2.gz IOLJIZDFJJDMCO-HUUCEWRRSA-N 2 0 293.455 1.709 10 0 CDAERP CCC[N@@H+]1CC[C@@H](N(CC)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001421346975 963562803 /nfs/dbraw/zinc/56/28/03/963562803.db2.gz DIYQJUPUJGYPHW-LSDHHAIUSA-N 2 0 281.444 1.661 10 0 CDAERP CCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001421359305 963569176 /nfs/dbraw/zinc/56/91/76/963569176.db2.gz JTGOTJRGXJWLBR-MRXNPFEDSA-N 2 0 293.455 1.805 10 0 CDAERP CC(C)C[N@H+](C)C[C@H](C)NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001439335823 963727699 /nfs/dbraw/zinc/72/76/99/963727699.db2.gz ZEWPMJPKUNNOAV-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CC1CC(C[NH2+]C[C@H](NC(=O)C[NH+]2CCCC2)C2CC2)C1 ZINC001439492191 963774406 /nfs/dbraw/zinc/77/44/06/963774406.db2.gz IMOLTVZPNQQINU-XUJLQICISA-N 2 0 293.455 1.613 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]CC2CCC2)C1 ZINC001440124991 963932684 /nfs/dbraw/zinc/93/26/84/963932684.db2.gz PQUNKIVTYHXNCR-ZBFHGGJFSA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@H](F)C[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CCC1 ZINC001440354953 963997337 /nfs/dbraw/zinc/99/73/37/963997337.db2.gz GUIBLHQYBNRSTM-KGLIPLIRSA-N 2 0 299.434 1.705 10 0 CDAERP CC[C@H](F)C[NH2+]CC1CC(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001440756560 964160547 /nfs/dbraw/zinc/16/05/47/964160547.db2.gz AVOHYKNLMCAHNB-MOKVOYLWSA-N 2 0 299.434 1.703 10 0 CDAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[N@@H+](C)CC[C@H](C)F ZINC001440999824 964319280 /nfs/dbraw/zinc/31/92/80/964319280.db2.gz KCAIJFOITOLAPT-QWHCGFSZSA-N 2 0 285.407 1.267 10 0 CDAERP CC[NH2+]CC1(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CCCCC1 ZINC001441102477 964361945 /nfs/dbraw/zinc/36/19/45/964361945.db2.gz KNMZZTLQIIBPOZ-CQSZACIVSA-N 2 0 281.444 1.757 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCC(C)(C)C)C1)[NH+](C)C ZINC001441400870 964498085 /nfs/dbraw/zinc/49/80/85/964498085.db2.gz TUBSPXJGVIJFRU-MGPQQGTHSA-N 2 0 283.460 2.000 10 0 CDAERP CC[NH2+][C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001441404074 964500209 /nfs/dbraw/zinc/50/02/09/964500209.db2.gz PHYXYDXQQUCDBR-CABCVRRESA-N 2 0 283.460 2.000 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC2)C1)[NH+]1CCCC1 ZINC001441547650 964583327 /nfs/dbraw/zinc/58/33/27/964583327.db2.gz JZURRQIFSAOCBH-XHSDSOJGSA-N 2 0 293.455 1.754 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1cccnc1 ZINC001442067575 964854054 /nfs/dbraw/zinc/85/40/54/964854054.db2.gz PQPCKOLQKCHJHP-CYBMUJFWSA-N 2 0 278.400 1.016 10 0 CDAERP CC[NH+]1CCC([C@@H](C)NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001442204582 964911482 /nfs/dbraw/zinc/91/14/82/964911482.db2.gz OIEJUBSYDLJWNE-CQSZACIVSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001442462198 965074363 /nfs/dbraw/zinc/07/43/63/965074363.db2.gz IMRAZXFOKBQPCJ-ZDUSSCGKSA-N 2 0 285.407 1.411 10 0 CDAERP CCC[N@H+](CCF)CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001442951841 965290751 /nfs/dbraw/zinc/29/07/51/965290751.db2.gz GKODXALBYAWJFK-CABCVRRESA-N 2 0 299.434 1.801 10 0 CDAERP C[NH+](C)C1(C(=O)NCCCCc2cc[nH+]c(N)c2)CCC1 ZINC001558884424 965372365 /nfs/dbraw/zinc/37/23/65/965372365.db2.gz AVKMMLWXSNQZLT-UHFFFAOYSA-N 2 0 290.411 1.587 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC001443481985 965488652 /nfs/dbraw/zinc/48/86/52/965488652.db2.gz NBXXGHGNUSIHCY-ZDUSSCGKSA-N 2 0 269.433 1.374 10 0 CDAERP CC(C)[C@H](C(=O)NCC1C[NH+](CC2CC2)C1)[NH+]1CCCC1 ZINC001443651216 965550523 /nfs/dbraw/zinc/55/05/23/965550523.db2.gz DVPUVIPKBVDHKY-MRXNPFEDSA-N 2 0 293.455 1.565 10 0 CDAERP CC(C)n1ccc(C[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C)n1 ZINC001445426664 966193374 /nfs/dbraw/zinc/19/33/74/966193374.db2.gz HNIIJVZASRYYNO-CYBMUJFWSA-N 2 0 295.431 1.010 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001445446478 966199886 /nfs/dbraw/zinc/19/98/86/966199886.db2.gz CXOIPILSPLNEKH-OCCSQVGLSA-N 2 0 287.423 1.561 10 0 CDAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC1CC1 ZINC001445443764 966199953 /nfs/dbraw/zinc/19/99/53/966199953.db2.gz HGMKIAZCJFABDJ-UKRRQHHQSA-N 2 0 281.444 1.754 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@@](C)(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001446524551 966569858 /nfs/dbraw/zinc/56/98/58/966569858.db2.gz HVVMVXPFGULBCJ-XJKSGUPXSA-N 2 0 299.434 1.799 10 0 CDAERP CC[NH+](CC)CC(=O)NCC12CCC[NH+](CCC1)C2 ZINC001350122187 966586224 /nfs/dbraw/zinc/58/62/24/966586224.db2.gz PSHIAFULNLABRW-UHFFFAOYSA-N 2 0 267.417 1.320 10 0 CDAERP C[C@@H]([NH2+]CCF)c1ccc(CNC(=O)CC[NH+](C)C)cc1 ZINC001447091041 966696787 /nfs/dbraw/zinc/69/67/87/966696787.db2.gz UQQKGZUEGCIOKI-CYBMUJFWSA-N 2 0 295.402 1.875 10 0 CDAERP CC[C@]1(c2nc(CC3CC[NH2+]CC3)no2)CC[NH2+]C1 ZINC001350692833 966736915 /nfs/dbraw/zinc/73/69/15/966736915.db2.gz GQCBKIXCIANVPY-AWEZNQCLSA-N 2 0 264.373 1.253 10 0 CDAERP CC[C@@H](C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C)OC ZINC001447668891 966844076 /nfs/dbraw/zinc/84/40/76/966844076.db2.gz LGMUXRDPHJCLOT-KKUMJFAQSA-N 2 0 299.459 1.380 10 0 CDAERP CO[C@H](C)C[NH2+]CC(C)(C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001447991340 966954650 /nfs/dbraw/zinc/95/46/50/966954650.db2.gz NVJODQAOSLDKLQ-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)C[NH+]1CC([C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001448342734 967077547 /nfs/dbraw/zinc/07/75/47/967077547.db2.gz OLPJTVIJDIVUFJ-ZIAGYGMSSA-N 2 0 281.444 1.421 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CCF ZINC001448725165 967227679 /nfs/dbraw/zinc/22/76/79/967227679.db2.gz HRLHFUNTLVMIAD-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CC[C@H](F)C[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001448771200 967248914 /nfs/dbraw/zinc/24/89/14/967248914.db2.gz FACHNDRMCTXEBV-STQMWFEESA-N 2 0 275.412 1.511 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H](C)CC[NH+](C)C)C1 ZINC001544112724 967338617 /nfs/dbraw/zinc/33/86/17/967338617.db2.gz MSIMBRNMLDINPY-ZIAGYGMSSA-N 2 0 269.433 1.421 10 0 CDAERP CN(CCCC[NH+](C)C)C(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001544335849 967354863 /nfs/dbraw/zinc/35/48/63/967354863.db2.gz JUDIBIOMYXCYKF-ZDUSSCGKSA-N 2 0 273.396 1.221 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC001544362833 967356976 /nfs/dbraw/zinc/35/69/76/967356976.db2.gz JVCFVEFCBPLFIJ-MGPQQGTHSA-N 2 0 269.433 1.373 10 0 CDAERP C[NH+](C)C1(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)CCCC1 ZINC001455416163 968707411 /nfs/dbraw/zinc/70/74/11/968707411.db2.gz KMIUJKFOXNEQQV-KBPBESRZSA-N 2 0 279.428 1.556 10 0 CDAERP Cc1nccn1CC[NH2+]Cc1cnc(Cl)n1C ZINC000848532441 969155377 /nfs/dbraw/zinc/15/53/77/969155377.db2.gz IFBOUXYTBRNNFX-UHFFFAOYSA-N 2 0 253.737 1.368 10 0 CDAERP C[NH+](C)CC1(O)CC[NH+](CC2(O)CCCCCC2)CC1 ZINC001460549443 969521695 /nfs/dbraw/zinc/52/16/95/969521695.db2.gz VYOGAVKHEKCEOW-UHFFFAOYSA-N 2 0 284.444 1.460 10 0 CDAERP C[C@@H]1C[C@H]([NH+]2CCC([NH2+]C3CCOCC3)CC2)CCO1 ZINC001460778686 969545203 /nfs/dbraw/zinc/54/52/03/969545203.db2.gz UZCNTAVMZGFSJW-CZUORRHYSA-N 2 0 282.428 1.787 10 0 CDAERP CC(C)[N@H+](C)C[C@@H](O)CN1CCCC[C@]12CCOC2 ZINC001473895435 969846910 /nfs/dbraw/zinc/84/69/10/969846910.db2.gz JYORPZFGIHFYDQ-HUUCEWRRSA-N 2 0 270.417 1.333 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001361548657 970283652 /nfs/dbraw/zinc/28/36/52/970283652.db2.gz QLMFCNKEXSZPPY-FMKPAKJESA-N 2 0 279.428 1.269 10 0 CDAERP C[C@@H]1CN(C(=O)CN(C)C)CC[N@@H+]1C1CCCC1 ZINC001522148155 970404382 /nfs/dbraw/zinc/40/43/82/970404382.db2.gz LKJKHPGIPHEGPD-GFCCVEGCSA-N 2 0 253.390 1.023 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H]3[C@@H]2CCC[NH+]3C)C1 ZINC001471685775 970466457 /nfs/dbraw/zinc/46/64/57/970466457.db2.gz JAOVHTODMJYDNY-MCIONIFRSA-N 2 0 265.401 1.023 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]3[C@H]2CCC[NH+]3C)C1 ZINC001471685773 970466556 /nfs/dbraw/zinc/46/65/56/970466556.db2.gz JAOVHTODMJYDNY-HZSPNIEDSA-N 2 0 265.401 1.023 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2C)CC1 ZINC001472245026 970607943 /nfs/dbraw/zinc/60/79/43/970607943.db2.gz DOUSVCCSKXGBBU-MRXNPFEDSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001361951729 970708632 /nfs/dbraw/zinc/70/86/32/970708632.db2.gz IXBUKBAYJZWGMH-ILXRZTDVSA-N 2 0 281.444 1.565 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(C(=O)CC[N@@H+]2CC[C@H](F)C2)C1 ZINC001361989595 970747687 /nfs/dbraw/zinc/74/76/87/970747687.db2.gz POFODWPOQOAHLQ-KBPBESRZSA-N 2 0 285.407 1.363 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2C[NH2+]C/C=C\Cl)C1 ZINC001495578814 972543734 /nfs/dbraw/zinc/54/37/34/972543734.db2.gz YDXRWURKJMZJLQ-VTUYONSCSA-N 2 0 299.846 1.661 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@H]([NH2+]CC2CCC2)C1 ZINC001371645389 972577767 /nfs/dbraw/zinc/57/77/67/972577767.db2.gz UFASMQCPQGTAKL-GJZGRUSLSA-N 2 0 281.444 1.755 10 0 CDAERP COCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001371679139 972589655 /nfs/dbraw/zinc/58/96/55/972589655.db2.gz VIWYCSOYWAAVPC-GJZGRUSLSA-N 2 0 297.443 1.040 10 0 CDAERP CC(C)CCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001495808330 972643886 /nfs/dbraw/zinc/64/38/86/972643886.db2.gz JNSBRVUUNDSPEW-LSDHHAIUSA-N 2 0 283.460 1.716 10 0 CDAERP CCC[NH+]1CC2(C1)CCN(C(=O)C[N@H+](C)C(C)C)CC2 ZINC001495980582 972729820 /nfs/dbraw/zinc/72/98/20/972729820.db2.gz JNDQZIMUPHXILQ-UHFFFAOYSA-N 2 0 281.444 1.661 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCC2CC2)[C@@H](C)C1 ZINC001496376367 972902782 /nfs/dbraw/zinc/90/27/82/972902782.db2.gz QJBCRZXVYNUPCL-GOEBONIOSA-N 2 0 295.471 1.953 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+](CCC(F)(F)F)C1 ZINC001372656315 973064706 /nfs/dbraw/zinc/06/47/06/973064706.db2.gz VLLIBKQLENVULG-NSHDSACASA-N 2 0 295.349 1.329 10 0 CDAERP CC(C)CC[N@H+](C)CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001496768870 973089407 /nfs/dbraw/zinc/08/94/07/973089407.db2.gz BKIDADLUTVPBSR-UHFFFAOYSA-N 2 0 283.460 1.765 10 0 CDAERP COCC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001496817178 973107710 /nfs/dbraw/zinc/10/77/10/973107710.db2.gz UDBXAEUNEJJXAP-HUUCEWRRSA-N 2 0 299.459 1.143 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001417651349 973242834 /nfs/dbraw/zinc/24/28/34/973242834.db2.gz NZMUWBCURLLCMM-CYBMUJFWSA-N 2 0 273.396 1.221 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC[N@@H+]1C ZINC001417659100 973249540 /nfs/dbraw/zinc/24/95/40/973249540.db2.gz WQEOJQKRAXFPJW-KBUPBQIOSA-N 2 0 281.444 1.706 10 0 CDAERP C[NH+](C)CCCC(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CC2)C1 ZINC001417807234 973395493 /nfs/dbraw/zinc/39/54/93/973395493.db2.gz GZBKIGNPERNNAC-LSDHHAIUSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@@H]([NH2+]C/C=C/CNC(=O)CC[NH+](C)C)c1ccccc1 ZINC001497672187 973459692 /nfs/dbraw/zinc/45/96/92/973459692.db2.gz AULIVJAZHISIMS-MVGZEHJDSA-N 2 0 289.423 1.961 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001418061141 973562005 /nfs/dbraw/zinc/56/20/05/973562005.db2.gz AKUKWWGOGSQKID-RBSFLKMASA-N 2 0 281.444 1.754 10 0 CDAERP CC1CC[NH+](CC(=O)N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)CC1 ZINC001418159841 973616836 /nfs/dbraw/zinc/61/68/36/973616836.db2.gz BIVTZMHOGLAKMB-KGLIPLIRSA-N 2 0 281.444 1.563 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C[NH2+]CC=C(C)C)[NH+](C)C ZINC001498059340 973654105 /nfs/dbraw/zinc/65/41/05/973654105.db2.gz ASBBYWOPNHPIED-QWHCGFSZSA-N 2 0 255.406 1.387 10 0 CDAERP Cc1nc(C)c(C[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C)s1 ZINC001498106278 973685083 /nfs/dbraw/zinc/68/50/83/973685083.db2.gz QPTHFJDHKGFCQJ-JTQLQIEISA-N 2 0 298.456 1.306 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@@H](CC[NH2+]C(C)C)C1)[NH+](C)C ZINC001373911352 973685561 /nfs/dbraw/zinc/68/55/61/973685561.db2.gz NPJHGTFUGMAIKI-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CCC[NH2+]C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001498145833 973707687 /nfs/dbraw/zinc/70/76/87/973707687.db2.gz HXXVYXHPDOMNJM-ZDUSSCGKSA-N 2 0 255.406 1.223 10 0 CDAERP CCCC[NH2+]C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001498197781 973737533 /nfs/dbraw/zinc/73/75/33/973737533.db2.gz VUFFJBLLFOVNAG-AWEZNQCLSA-N 2 0 269.433 1.757 10 0 CDAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]CC1CCCC1 ZINC001374095217 973774899 /nfs/dbraw/zinc/77/48/99/973774899.db2.gz CDYNFBAIZKYWSY-AWEZNQCLSA-N 2 0 293.455 1.614 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]CC1CC(C)C1 ZINC001374331232 973894352 /nfs/dbraw/zinc/89/43/52/973894352.db2.gz SLFXIQMSWUJRHT-SLTAFYQDSA-N 2 0 283.460 1.809 10 0 CDAERP CC(C)C[C@H](C[NH2+]CC1CC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001374359971 973906533 /nfs/dbraw/zinc/90/65/33/973906533.db2.gz BMVXZKUMYLXHRN-OAHLLOKOSA-N 2 0 293.455 1.613 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1cnc(C)s1)[NH+](C)C ZINC001374907779 974174770 /nfs/dbraw/zinc/17/47/70/974174770.db2.gz ZUDDAGGINXOENB-GXFFZTMASA-N 2 0 298.456 1.386 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccc(F)cc1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001374976737 974196948 /nfs/dbraw/zinc/19/69/48/974196948.db2.gz LXRHSFATUXEEBX-GXTWGEPZSA-N 2 0 293.386 1.372 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]1CC1CC(C)(C)C1 ZINC001375359498 974352570 /nfs/dbraw/zinc/35/25/70/974352570.db2.gz WPWNRKMNHFRWKZ-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP CN(C[C@@H]1CC[N@@H+]1CC1CC1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001375456709 974387385 /nfs/dbraw/zinc/38/73/85/974387385.db2.gz ICOFWZXFILCDEJ-HNNXBMFYSA-N 2 0 293.455 1.804 10 0 CDAERP CC[C@H](C[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)C(C)C)OC ZINC001375471542 974395761 /nfs/dbraw/zinc/39/57/61/974395761.db2.gz LGDUONODVNISDW-HUUCEWRRSA-N 2 0 299.459 1.284 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC[N@@H+]1CC ZINC001375602633 974433074 /nfs/dbraw/zinc/43/30/74/974433074.db2.gz IFMULMGCZYMOEF-SOUVJXGZSA-N 2 0 281.444 1.850 10 0 CDAERP CCCC[N@H+](CCO)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001375632631 974439639 /nfs/dbraw/zinc/43/96/39/974439639.db2.gz NJDWNFRFZXYOKU-OAHLLOKOSA-N 2 0 299.459 1.024 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@]1(CO)CCC[NH+](C(C)C)C1 ZINC001501360309 974571627 /nfs/dbraw/zinc/57/16/27/974571627.db2.gz VKWCVONIBVMCGN-MRXNPFEDSA-N 2 0 299.459 1.070 10 0 CDAERP CC[C@@H](C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1)OC ZINC001376330022 974632888 /nfs/dbraw/zinc/63/28/88/974632888.db2.gz CUPCWISBBDJCMP-KKUMJFAQSA-N 2 0 297.443 1.086 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1CCC[N@H+](CC)C1 ZINC001376595813 974693382 /nfs/dbraw/zinc/69/33/82/974693382.db2.gz DIHLVLFFKUUKJB-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccc(F)cc1)[NH+](C)C ZINC001376757280 974757526 /nfs/dbraw/zinc/75/75/26/974757526.db2.gz FOSKHQIJMUWGRE-IUODEOHRSA-N 2 0 295.402 1.760 10 0 CDAERP CC[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CCC1 ZINC001376822576 974784641 /nfs/dbraw/zinc/78/46/41/974784641.db2.gz ZOIHJZNUSXZIFD-AWEZNQCLSA-N 2 0 281.444 1.755 10 0 CDAERP CCC[N@@H+]1CCOC2(CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001377536336 975066891 /nfs/dbraw/zinc/06/68/91/975066891.db2.gz ODKWMJBOASHVNC-UHFFFAOYSA-N 2 0 297.443 1.042 10 0 CDAERP CCC[NH+]1CC([C@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001506664262 975199295 /nfs/dbraw/zinc/19/92/95/975199295.db2.gz KDONYACMPIPBFA-QWHCGFSZSA-N 2 0 267.417 1.175 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](C)CC2CCC2)CC[N@@H+]1C ZINC001378052093 975221530 /nfs/dbraw/zinc/22/15/30/975221530.db2.gz XBRQYIGUTCVLIH-VNQPRFMTSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@H](CC(=O)NC[C@H](C)[N@H+](C)CCCF)n1ccnc1 ZINC001378146532 975260117 /nfs/dbraw/zinc/26/01/17/975260117.db2.gz UTVOTVIOPJLKDR-OLZOCXBDSA-N 2 0 284.379 1.630 10 0 CDAERP CC(C)C[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001378392523 975344398 /nfs/dbraw/zinc/34/43/98/975344398.db2.gz OMTHFQYVEKVNSH-GOEBONIOSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]CC[C@H]1CCOC1 ZINC001507163735 975359050 /nfs/dbraw/zinc/35/90/50/975359050.db2.gz VQDCOQHRJCRALK-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]CC1CC(C)C1 ZINC001378523461 975375118 /nfs/dbraw/zinc/37/51/18/975375118.db2.gz OWNKJRRTVKKOCL-UYSNPLJNSA-N 2 0 295.471 1.953 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC2(C[NH2+]CC3CC3)CCCC2)C1 ZINC001400992389 975432379 /nfs/dbraw/zinc/43/23/79/975432379.db2.gz QYAKWXPTEKBLQT-HNNXBMFYSA-N 2 0 293.455 1.757 10 0 CDAERP CC[C@H](F)C[NH2+]C1(CNC(=O)CC[NH+](C)C)CCCC1 ZINC001378718956 975454030 /nfs/dbraw/zinc/45/40/30/975454030.db2.gz UCEYCOKKLRIOHF-ZDUSSCGKSA-N 2 0 287.423 1.705 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001507427656 975466998 /nfs/dbraw/zinc/46/69/98/975466998.db2.gz KWOMSSPAXWYCDY-OLZOCXBDSA-N 2 0 255.406 1.221 10 0 CDAERP Cc1oncc1C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001378747559 975474236 /nfs/dbraw/zinc/47/42/36/975474236.db2.gz AUIRFSNTHUIMBE-FZMZJTMJSA-N 2 0 294.399 1.014 10 0 CDAERP CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC1(C)C ZINC001507453139 975475061 /nfs/dbraw/zinc/47/50/61/975475061.db2.gz BESXBNUEXDDWHN-GFCCVEGCSA-N 2 0 255.406 1.173 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1[C@H]2C[NH+](CC3CC3)C[C@H]21 ZINC001378756723 975478474 /nfs/dbraw/zinc/47/84/74/975478474.db2.gz UBCKVLHIXIHCDP-QKDCVEJESA-N 2 0 279.428 1.031 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]CCF)C(C)C ZINC001379000100 975584426 /nfs/dbraw/zinc/58/44/26/975584426.db2.gz MBPVZBSXBJBPGQ-KGLIPLIRSA-N 2 0 287.423 1.561 10 0 CDAERP CC[NH2+]C[C@H](C1CC1)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001379018257 975595548 /nfs/dbraw/zinc/59/55/48/975595548.db2.gz DWRWHPNDIMOWKU-HUUCEWRRSA-N 2 0 281.444 1.707 10 0 CDAERP CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCC[NH+](C)C ZINC001397741511 975695308 /nfs/dbraw/zinc/69/53/08/975695308.db2.gz IOLDEUNFDLYODR-VNQPRFMTSA-N 2 0 295.471 1.953 10 0 CDAERP CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001397800955 975723206 /nfs/dbraw/zinc/72/32/06/975723206.db2.gz DRGQOVWSKINLMJ-AWEZNQCLSA-N 2 0 281.444 1.661 10 0 CDAERP Cc1ccc(C)c(C[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C)c1 ZINC001401699500 975809190 /nfs/dbraw/zinc/80/91/90/975809190.db2.gz LCINAGXGCDIOPQ-HNNXBMFYSA-N 2 0 291.439 1.849 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1cncc(F)c1 ZINC001401724546 975832990 /nfs/dbraw/zinc/83/29/90/975832990.db2.gz RHCHXIDFLWRBBI-LBPRGKRZSA-N 2 0 296.390 1.155 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]CC1CC(F)(F)C1 ZINC001379466398 975854971 /nfs/dbraw/zinc/85/49/71/975854971.db2.gz LIQNLEQWDJNGFH-LLVKDONJSA-N 2 0 291.386 1.466 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)C[NH+](C)CCOC)C1 ZINC001401777867 975904459 /nfs/dbraw/zinc/90/44/59/975904459.db2.gz CMVDRVRLJHQSNG-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)[NH2+][C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001398392454 975967420 /nfs/dbraw/zinc/96/74/20/975967420.db2.gz KPYUAVSEPBKXEC-LSDHHAIUSA-N 2 0 281.444 1.754 10 0 CDAERP CCCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001389747051 975970012 /nfs/dbraw/zinc/97/00/12/975970012.db2.gz QROPABQDDZJYDM-HZPDHXFCSA-N 2 0 295.471 1.909 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001398524156 976018525 /nfs/dbraw/zinc/01/85/25/976018525.db2.gz JISQBKFEIQMMDM-HNNXBMFYSA-N 2 0 293.386 1.468 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC[C@H](C)F)C1 ZINC001398534507 976023756 /nfs/dbraw/zinc/02/37/56/976023756.db2.gz GKZQBRSEORLGBF-AJNGGQMLSA-N 2 0 299.434 1.846 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1CC[C@@H]1CCCCO1 ZINC001380017381 976189854 /nfs/dbraw/zinc/18/98/54/976189854.db2.gz RVLOLJAFFVQKBZ-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@H](C(=O)NC[C@@]1(C)CCC[N@@H+](C(C)C)C1)[NH+](C)C ZINC001402240714 976194533 /nfs/dbraw/zinc/19/45/33/976194533.db2.gz XBQLZLRQBGUYHR-GDBMZVCRSA-N 2 0 283.460 1.953 10 0 CDAERP CCC[NH+]1CCC([C@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001380146238 976261074 /nfs/dbraw/zinc/26/10/74/976261074.db2.gz YFJBGPICDLBXMI-CABCVRRESA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CCC1CC1 ZINC001398971281 976274710 /nfs/dbraw/zinc/27/47/10/976274710.db2.gz ZGCPNGUXETWLPY-UKRRQHHQSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)CCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001406587204 976281821 /nfs/dbraw/zinc/28/18/21/976281821.db2.gz RDKIVNZSJXODKB-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CO[C@@H](C)C[N@H+](C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001492879806 976387622 /nfs/dbraw/zinc/38/76/22/976387622.db2.gz XDSIJCLVCRPJOI-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP CN(C(=O)C[N@H+](C)CC(C)(C)C)C1CN(CC2CC2)C1 ZINC001407087431 976546876 /nfs/dbraw/zinc/54/68/76/976546876.db2.gz KRJYKTAPZXIARA-UHFFFAOYSA-N 2 0 281.444 1.517 10 0 CDAERP C[NH+](C)CCCC(=O)NCC[N@H+](C)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001399565369 976571438 /nfs/dbraw/zinc/57/14/38/976571438.db2.gz ALTSTEUZMGPGEX-OAGGEKHMSA-N 2 0 295.471 1.812 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001407177450 976592623 /nfs/dbraw/zinc/59/26/23/976592623.db2.gz HYTQHYCQUCSSBB-GDBMZVCRSA-N 2 0 281.444 1.709 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1C/C=C\Cl ZINC001399875581 976711369 /nfs/dbraw/zinc/71/13/69/976711369.db2.gz WNUFAEPKEZCMBV-DJFZKKHWSA-N 2 0 273.808 1.271 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001399929853 976714571 /nfs/dbraw/zinc/71/45/71/976714571.db2.gz MTWQSPAUOQZQCT-QWHCGFSZSA-N 2 0 273.396 1.124 10 0 CDAERP CC(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001381290934 976745628 /nfs/dbraw/zinc/74/56/28/976745628.db2.gz LTNQRLOZTGWSOT-HOTGVXAUSA-N 2 0 295.471 1.907 10 0 CDAERP C[C@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]C/C=C/Cl ZINC001403466957 976969688 /nfs/dbraw/zinc/96/96/88/976969688.db2.gz NLWBICLXOXXMSI-RDNKVPPGSA-N 2 0 285.819 1.319 10 0 CDAERP CC(C)[C@@H](CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCF ZINC001381722104 976990943 /nfs/dbraw/zinc/99/09/43/976990943.db2.gz XYIRXIIMOXECPL-UONOGXRCSA-N 2 0 287.423 1.370 10 0 CDAERP C[C@@H](F)CC[NH+]1CC(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001400503226 977065017 /nfs/dbraw/zinc/06/50/17/977065017.db2.gz NVHWZWZBLWKKMV-HIFRSBDPSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001381960631 977100219 /nfs/dbraw/zinc/10/02/19/977100219.db2.gz LBMOVGFPVLAOST-KBUPBQIOSA-N 2 0 281.444 1.467 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]C[C@@H]1CCCCO1 ZINC001403630114 977113580 /nfs/dbraw/zinc/11/35/80/977113580.db2.gz WIJVIQQEDBBYJV-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]CC1CCC1 ZINC001403634329 977116502 /nfs/dbraw/zinc/11/65/02/977116502.db2.gz RJOZCXMQYXRRDW-CYBMUJFWSA-N 2 0 279.428 1.319 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CC1CCC1 ZINC001382066731 977151971 /nfs/dbraw/zinc/15/19/71/977151971.db2.gz JNIXEPMREQTTHK-BBRMVZONSA-N 2 0 293.455 1.565 10 0 CDAERP Cc1ccncc1CN(C)CCNC(=O)C[NH+]1CCCC1 ZINC001403768747 977184162 /nfs/dbraw/zinc/18/41/62/977184162.db2.gz JNQTXAVOWGSSMC-UHFFFAOYSA-N 2 0 290.411 1.034 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@@H]1[NH+](CC1CC1)CC2 ZINC001382324532 977251599 /nfs/dbraw/zinc/25/15/99/977251599.db2.gz AULJBJVCCRUGMG-RDJZCZTQSA-N 2 0 293.455 1.851 10 0 CDAERP CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)CC1(C)C ZINC001382368857 977265786 /nfs/dbraw/zinc/26/57/86/977265786.db2.gz MIOQYCPSXBNTLX-UONOGXRCSA-N 2 0 283.460 1.953 10 0 CDAERP CN(C(=O)CC[NH+](C)C)C1CC([NH2+]CCC(F)(F)F)C1 ZINC001382587030 977312600 /nfs/dbraw/zinc/31/26/00/977312600.db2.gz LWMRAZKYGXGFRG-UHFFFAOYSA-N 2 0 295.349 1.470 10 0 CDAERP CCc1ccccc1C[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C ZINC001392589479 977496123 /nfs/dbraw/zinc/49/61/23/977496123.db2.gz COXZYILFHASAOE-AWEZNQCLSA-N 2 0 291.439 1.795 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@]2(CC[NH+](CC3CC3)C2)C1 ZINC001392991777 977668881 /nfs/dbraw/zinc/66/88/81/977668881.db2.gz NTTCXRKDCCOPKT-KRWDZBQOSA-N 2 0 293.455 1.661 10 0 CDAERP CC[C@H](C)C[NH+]1CC(N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001393013103 977677139 /nfs/dbraw/zinc/67/71/39/977677139.db2.gz HIYWSPKTPVQSGZ-ZDUSSCGKSA-N 2 0 281.444 1.517 10 0 CDAERP C[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccccc1 ZINC001393798804 977921730 /nfs/dbraw/zinc/92/17/30/977921730.db2.gz VJNYYPPWPXQCKD-HOCLYGCPSA-N 2 0 289.423 1.765 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+]CC1CC1 ZINC001393861871 977936343 /nfs/dbraw/zinc/93/63/43/977936343.db2.gz QIUCIYDCJBESDH-HNNXBMFYSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[NH2+]CC(C)(C)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001394028655 978012023 /nfs/dbraw/zinc/01/20/23/978012023.db2.gz VUYFZRWXOTYDDD-UHFFFAOYSA-N 2 0 271.449 1.809 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H](C)C1C[NH+](CCC(C)C)C1 ZINC001394253310 978117980 /nfs/dbraw/zinc/11/79/80/978117980.db2.gz WKADAXKUPKSBGO-AWEZNQCLSA-N 2 0 283.460 1.811 10 0 CDAERP CC[C@H](C(=O)NCC1[C@H]2C[N@@H+](C/C=C\Cl)C[C@@H]12)[NH+](C)C ZINC001394323281 978133266 /nfs/dbraw/zinc/13/32/66/978133266.db2.gz PTXJKBUSYILSGM-RNUMGJJGSA-N 2 0 299.846 1.373 10 0 CDAERP CN(C[C@H]1CC[N@@H+]1CCC(C)(C)C)C(=O)CC[NH+](C)C ZINC001396991702 978568545 /nfs/dbraw/zinc/56/85/45/978568545.db2.gz IZRWXRKFNYLMMK-CQSZACIVSA-N 2 0 283.460 1.907 10 0 CDAERP CCCCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001676350369 1174213386 /nfs/dbraw/zinc/21/33/86/1174213386.db2.gz DMDZCWATHVNSMK-RBSFLKMASA-N 2 0 283.460 1.953 10 0 CDAERP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC1CC1 ZINC001676351775 1174213472 /nfs/dbraw/zinc/21/34/72/1174213472.db2.gz VTQWKYFPCOHROH-YRGRVCCFSA-N 2 0 267.417 1.173 10 0 CDAERP CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001676487213 1174232676 /nfs/dbraw/zinc/23/26/76/1174232676.db2.gz AHBFJQNVQWPCSL-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001676487211 1174233450 /nfs/dbraw/zinc/23/34/50/1174233450.db2.gz AHBFJQNVQWPCSL-KGLIPLIRSA-N 2 0 269.433 1.707 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]C/C=C\Cl)C(C)(C)C ZINC001677282538 1174345118 /nfs/dbraw/zinc/34/51/18/1174345118.db2.gz VEEAPWOZSNWHNE-XYLWRLHESA-N 2 0 289.851 1.811 10 0 CDAERP COC[C@@H](C)[NH2+]CCC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001571304395 1170361413 /nfs/dbraw/zinc/36/14/13/1170361413.db2.gz FVLMEXMZQPKFRP-ZIAGYGMSSA-N 2 0 299.459 1.238 10 0 CDAERP CC[NH2+][C@@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001571419897 1170420782 /nfs/dbraw/zinc/42/07/82/1170420782.db2.gz ZSIPTNGCVHEMBY-KBPBESRZSA-N 2 0 269.433 1.563 10 0 CDAERP CN(C(=O)[C@H]1CCCC[N@@H+]1C)C1CC([NH2+]CCCF)C1 ZINC001571658603 1170512919 /nfs/dbraw/zinc/51/29/19/1170512919.db2.gz FDVRNQCBWQHRCX-JXQTWKCFSA-N 2 0 285.407 1.409 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@H]1CN(C)C(=O)CCC[NH+](C)C ZINC001656089467 1171763282 /nfs/dbraw/zinc/76/32/82/1171763282.db2.gz UHIBIINLPRZLPD-HNNXBMFYSA-N 2 0 281.444 1.827 10 0 CDAERP CO[C@@H](C[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1)C1CCC1 ZINC001656310971 1171806549 /nfs/dbraw/zinc/80/65/49/1171806549.db2.gz FRBVHVJKYMRQQE-ILXRZTDVSA-N 2 0 252.402 1.685 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CNc2ccccc2C1 ZINC000650747673 398175116 /nfs/dbraw/zinc/17/51/16/398175116.db2.gz FLXHUPXVOQSGMJ-KGLIPLIRSA-N 2 0 263.385 1.367 10 0 CDAERP C[N@@H+](Cc1ccc[nH+]c1NN)CC1CCOCC1 ZINC000082545330 178089155 /nfs/dbraw/zinc/08/91/55/178089155.db2.gz LGWBKWZIOZAYIZ-UHFFFAOYSA-N 2 0 250.346 1.226 10 0 CDAERP CN(CCC[NH+](C)C)Cc1[nH+]c(NN)ccc1Cl ZINC000082543499 178089252 /nfs/dbraw/zinc/08/92/52/178089252.db2.gz LPDSKVGCFACQNQ-UHFFFAOYSA-N 2 0 271.796 1.404 10 0 CDAERP Cc1ccc2[nH+]ccc(NCC[N@@H+]3CC[C@@H](O)C3)c2c1 ZINC000624679098 342008441 /nfs/dbraw/zinc/00/84/41/342008441.db2.gz HPPZMWUNOVZZOW-CYBMUJFWSA-N 2 0 271.364 1.444 10 0 CDAERP C[C@@H](NC[C@H](O)C[N@H+](C)C1CC1)c1ccc2c(c1)OCO2 ZINC000351572482 361767915 /nfs/dbraw/zinc/76/79/15/361767915.db2.gz DJONUYZAABBKEA-RISCZKNCSA-N 2 0 292.379 1.521 10 0 CDAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C[NH2+]C1CC1 ZINC000237026105 342057720 /nfs/dbraw/zinc/05/77/20/342057720.db2.gz PZBGBYYRLGBKAZ-HNNXBMFYSA-N 2 0 275.396 1.028 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccccc1CC[NH3+] ZINC000092629806 342061138 /nfs/dbraw/zinc/06/11/38/342061138.db2.gz XDVQFRJADKHYLN-OAHLLOKOSA-N 2 0 289.423 1.744 10 0 CDAERP C[NH+](C)C1(CNC(=O)c2ccccc2CC[NH3+])CCCC1 ZINC000160833243 342073119 /nfs/dbraw/zinc/07/31/19/342073119.db2.gz PYLXQRWYULEJQN-UHFFFAOYSA-N 2 0 289.423 1.792 10 0 CDAERP C[C@H](CNC(=O)[C@]1(C)CCCC[NH2+]1)[NH+]1CCCC1 ZINC000133607387 342069164 /nfs/dbraw/zinc/06/91/64/342069164.db2.gz WCISRMQCRYSBKI-OCCSQVGLSA-N 2 0 253.390 1.119 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000617013680 342605223 /nfs/dbraw/zinc/60/52/23/342605223.db2.gz YWTOWWNFEJEXQU-VXGBXAGGSA-N 2 0 253.390 1.070 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000591571604 342637394 /nfs/dbraw/zinc/63/73/94/342637394.db2.gz QYQKAHZERRZDMC-LSDHHAIUSA-N 2 0 294.443 1.350 10 0 CDAERP C[NH+](C)C[C@](C)(O)C[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000341402308 282143956 /nfs/dbraw/zinc/14/39/56/282143956.db2.gz LOKXPFACYCHGPX-CAOSSQGBSA-N 2 0 284.444 1.484 10 0 CDAERP c1ccc(C[NH+]2CCC([C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000096949595 185138529 /nfs/dbraw/zinc/13/85/29/185138529.db2.gz ZPVIGKPGWJQSMO-MRXNPFEDSA-N 2 0 260.381 1.887 10 0 CDAERP COc1ccccc1C[C@H](C)[NH2+]CCOCCC[NH3+] ZINC000629398160 361930383 /nfs/dbraw/zinc/93/03/83/361930383.db2.gz NTPHEKGTNXUJNS-ZDUSSCGKSA-N 2 0 266.385 1.581 10 0 CDAERP C[C@H](C[NH2+]CC1(C)CCC1)CN1CC[NH+](C)CC1 ZINC000434762033 539044467 /nfs/dbraw/zinc/04/44/67/539044467.db2.gz FIZOYWUFILSXRS-CQSZACIVSA-N 2 0 253.434 1.650 10 0 CDAERP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000333619152 539053296 /nfs/dbraw/zinc/05/32/96/539053296.db2.gz RKGNMFKXQKDWDU-MNFFZHCASA-N 2 0 294.443 1.441 10 0 CDAERP CC1(C)CC([C@](O)(C[NH3+])C(F)(F)F)CC(C)(C)[NH2+]1 ZINC000675054557 539071592 /nfs/dbraw/zinc/07/15/92/539071592.db2.gz VZDWYHCEHCJMAW-LLVKDONJSA-N 2 0 268.323 1.795 10 0 CDAERP C[C@H]([NH2+]Cc1cccnc1N(C)C)C1CC[NH+](C)CC1 ZINC000154812351 539092412 /nfs/dbraw/zinc/09/24/12/539092412.db2.gz RCYNQZLSLOOBTD-ZDUSSCGKSA-N 2 0 276.428 1.968 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC000353456617 539097898 /nfs/dbraw/zinc/09/78/98/539097898.db2.gz DHUBOKSJZLIXEI-LBPRGKRZSA-N 2 0 278.400 1.608 10 0 CDAERP CCOC(=O)CCCCC[N@@H+]1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000600882475 342254161 /nfs/dbraw/zinc/25/41/61/342254161.db2.gz DLSQQQMXIXGTIW-HIFRSBDPSA-N 2 0 286.416 1.548 10 0 CDAERP CC(C)N1CC[C@H]([NH3+])[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC000685955345 539116515 /nfs/dbraw/zinc/11/65/15/539116515.db2.gz XZAFMRYXNRRCOA-SWLSCSKDSA-N 2 0 283.416 1.807 10 0 CDAERP CC[N@@H+]1CC[C@H](C[NH2+]C2CCC(NC(C)=O)CC2)C1 ZINC000132573439 342270234 /nfs/dbraw/zinc/27/02/34/342270234.db2.gz YMXOYIVLVQSZQI-WLYUNCDWSA-N 2 0 267.417 1.365 10 0 CDAERP COC(=O)[C@H](C[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000211976778 539161976 /nfs/dbraw/zinc/16/19/76/539161976.db2.gz CPLMYTZDJFGYDP-ZIAGYGMSSA-N 2 0 262.353 1.256 10 0 CDAERP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)[C@H]2C[C@@H]2C(=O)OC)C1 ZINC000594925586 342973604 /nfs/dbraw/zinc/97/36/04/342973604.db2.gz OKKJHGUWWUXAOL-LPWJVIDDSA-N 2 0 254.374 1.115 10 0 CDAERP CCC1(N2CCOCC2)CC[NH+](CCC[C@H](C)O)CC1 ZINC000626089133 342301418 /nfs/dbraw/zinc/30/14/18/342301418.db2.gz BPKJCGPUIVSVIT-HNNXBMFYSA-N 2 0 284.444 1.724 10 0 CDAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000629455701 362058652 /nfs/dbraw/zinc/05/86/52/362058652.db2.gz YFOWATSRNDVTSQ-AVGNSLFASA-N 2 0 253.390 1.070 10 0 CDAERP CC(C)[C@@H](C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1)[NH+](C)C ZINC000645108212 362121844 /nfs/dbraw/zinc/12/18/44/362121844.db2.gz GWHQJNAGXRSUNJ-ZNMIVQPWSA-N 2 0 281.444 1.563 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1nc2ccccc2n1C ZINC000629529432 362157758 /nfs/dbraw/zinc/15/77/58/362157758.db2.gz CJXUZUNFHXPCCH-LBPRGKRZSA-N 2 0 276.384 1.460 10 0 CDAERP C[C@@]1(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)CCCS1 ZINC000628214388 362181231 /nfs/dbraw/zinc/18/12/31/362181231.db2.gz VIZBFTPBXRDJMX-ZFWWWQNUSA-N 2 0 299.484 1.449 10 0 CDAERP Nc1nc(N2CC[C@H]([NH+]3CC=CC3)C2)c2c([nH+]1)CCCC2 ZINC000645180410 362225094 /nfs/dbraw/zinc/22/50/94/362225094.db2.gz WKRNIEBGMGNNOL-LBPRGKRZSA-N 2 0 285.395 1.218 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](C)C[C@H]2C)CC[N@@H+]1C ZINC000631466483 362233239 /nfs/dbraw/zinc/23/32/39/362233239.db2.gz UAYVOPBBKNYKII-BARDWOONSA-N 2 0 281.444 1.515 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000054292407 343791543 /nfs/dbraw/zinc/79/15/43/343791543.db2.gz BSWBAMOAYFRFTL-KBPBESRZSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000250513095 344046283 /nfs/dbraw/zinc/04/62/83/344046283.db2.gz PJJBAFYPEZBYMP-FPCVCCKLSA-N 2 0 293.455 1.754 10 0 CDAERP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCCc3n[nH]cc32)CC1 ZINC000367591388 362448271 /nfs/dbraw/zinc/44/82/71/362448271.db2.gz ZIXNSWWXPRLUAW-OAHLLOKOSA-N 2 0 291.443 1.404 10 0 CDAERP C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000262614828 344694231 /nfs/dbraw/zinc/69/42/31/344694231.db2.gz CMJWRJWUQLREJM-ILXRZTDVSA-N 2 0 281.444 1.742 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CSCC[NH2+]2)[C@H](C)C1 ZINC000262748248 344702485 /nfs/dbraw/zinc/70/24/85/344702485.db2.gz GEDHUYKIAUIZOM-MCIONIFRSA-N 2 0 299.484 1.270 10 0 CDAERP CC[NH+](CC)CCn1cc(NC(=O)CC(C)(C)[NH3+])cn1 ZINC000084169637 178813375 /nfs/dbraw/zinc/81/33/75/178813375.db2.gz TUMPWQRZZGFGID-UHFFFAOYSA-N 2 0 281.404 1.291 10 0 CDAERP CC[NH+]1CCC(N(C)C[C@@](C)(CO)[NH2+]C(C)C)CC1 ZINC000085242932 178985522 /nfs/dbraw/zinc/98/55/22/178985522.db2.gz JJMHELXHVZEWEU-HNNXBMFYSA-N 2 0 271.449 1.152 10 0 CDAERP COCC[N@H+](CCCC[C@](C)(O)C[NH3+])[C@@H](C)C1CC1 ZINC000085301174 179010448 /nfs/dbraw/zinc/01/04/48/179010448.db2.gz UHWWFXIMYFTVCL-ZFWWWQNUSA-N 2 0 272.433 1.613 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085369394 179039193 /nfs/dbraw/zinc/03/91/93/179039193.db2.gz JOVFUYHBLWYOPY-OLZOCXBDSA-N 2 0 255.406 1.160 10 0 CDAERP CC1(C)CC(NC(=O)[C@H]2CCC[C@@H]2[NH3+])CC(C)(C)[NH2+]1 ZINC000085370881 179041313 /nfs/dbraw/zinc/04/13/13/179041313.db2.gz LUWAAGNNBLNDGA-RYUDHWBXSA-N 2 0 267.417 1.539 10 0 CDAERP CCc1nc2c(n1C[C@H]1CC[N@@H+](C(C)C)C1)CC[NH2+]C2 ZINC000085572496 179097719 /nfs/dbraw/zinc/09/77/19/179097719.db2.gz YTFJQUYWZBADKR-ZDUSSCGKSA-N 2 0 276.428 1.822 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000252612384 346747320 /nfs/dbraw/zinc/74/73/20/346747320.db2.gz WIVYATCIPSGIRY-YNEHKIRRSA-N 2 0 255.406 1.077 10 0 CDAERP CC[C@@H](C)[NH+]1CCN([C@](CC)(C[NH3+])C2CC2)CC1 ZINC000086120664 179234774 /nfs/dbraw/zinc/23/47/74/179234774.db2.gz XBVZNPMKIQVRCM-UKRRQHHQSA-N 2 0 253.434 1.920 10 0 CDAERP CC[C@H]1C[NH2+][C@H](C)CN1C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000086174178 179245414 /nfs/dbraw/zinc/24/54/14/179245414.db2.gz VPEOXEMICXYOCH-KFWWJZLASA-N 2 0 253.434 1.789 10 0 CDAERP CC[C@H]1CN([C@@H]2C[NH+]3CCC2CC3)[C@H](C(C)C)C[NH2+]1 ZINC000086182655 179247412 /nfs/dbraw/zinc/24/74/12/179247412.db2.gz WPEWYTNMQOSSOS-HRCADAONSA-N 2 0 265.445 1.789 10 0 CDAERP CC(C)[N@H+](C)CCCCN1CC[NH2+][C@H](C2CC2)C1 ZINC000086146756 179239794 /nfs/dbraw/zinc/23/97/94/179239794.db2.gz OWVNKEYWWWHQRQ-HNNXBMFYSA-N 2 0 253.434 1.791 10 0 CDAERP C[NH+](C)CCOCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623494540 347604139 /nfs/dbraw/zinc/60/41/39/347604139.db2.gz UDBAKBDOHQTTLV-CYBMUJFWSA-N 3 0 257.422 1.027 10 0 CDAERP CCC[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623572669 347639451 /nfs/dbraw/zinc/63/94/51/347639451.db2.gz JRFDPDMFQCHRIC-KGLIPLIRSA-N 2 0 253.434 1.933 10 0 CDAERP [NH3+]C/C=C\CNC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000641862477 365946428 /nfs/dbraw/zinc/94/64/28/365946428.db2.gz OOUBBSVPZYRNPW-PLNGDYQASA-N 2 0 276.384 1.062 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](C)[C@H](C)C2)CC[N@@H+]1C ZINC000631468852 362944045 /nfs/dbraw/zinc/94/40/45/362944045.db2.gz NVXZSFUWFRAWPX-APIJFGDWSA-N 2 0 281.444 1.658 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000629538810 362955184 /nfs/dbraw/zinc/95/51/84/362955184.db2.gz OQXQOLDYBLGUMP-HNNXBMFYSA-N 2 0 264.369 1.725 10 0 CDAERP Cc1nc([C@H](C)[NH2+]CCOCCC[NH3+])c(C)s1 ZINC000629534683 362959058 /nfs/dbraw/zinc/95/90/58/362959058.db2.gz AIYISRFORJSCHT-VIFPVBQESA-N 2 0 257.403 1.776 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc2oc(=O)n(C)c2c1 ZINC000629545227 362970537 /nfs/dbraw/zinc/97/05/37/362970537.db2.gz CQHTYVDQFHZTIH-LLVKDONJSA-N 2 0 277.368 1.739 10 0 CDAERP CCn1cc(CC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cn1 ZINC000621775127 350770900 /nfs/dbraw/zinc/77/09/00/350770900.db2.gz GVFDHNPFNSRDLQ-HOTGVXAUSA-N 2 0 276.428 1.910 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000623959500 351353137 /nfs/dbraw/zinc/35/31/37/351353137.db2.gz SJXUSBMQCYGCMI-LSDHHAIUSA-N 2 0 272.433 1.892 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2=CC[NH+](C)CC2)CC[N@@H+]1C ZINC000632366281 363109539 /nfs/dbraw/zinc/10/95/39/363109539.db2.gz GNEMTWSWPUXXLH-AEGPPILISA-N 2 0 279.428 1.483 10 0 CDAERP CCCN(C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)C1CC[NH2+]CC1 ZINC000418586063 535224021 /nfs/dbraw/zinc/22/40/21/535224021.db2.gz ZFBXRFSQEXKFNV-TZMCWYRMSA-N 2 0 282.432 1.158 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1ccc(F)cc1C ZINC000629653112 363252583 /nfs/dbraw/zinc/25/25/83/363252583.db2.gz NPEIEQVHSXGOHY-UHFFFAOYSA-N 2 0 254.349 1.802 10 0 CDAERP Cc1cnn(CCN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000336322072 363367695 /nfs/dbraw/zinc/36/76/95/363367695.db2.gz UIVFQQMGEKYQCR-LSDHHAIUSA-N 2 0 262.401 1.608 10 0 CDAERP CN(C)c1cc[nH+]cc1C(=O)NCC1(C)CC[NH+](C)CC1 ZINC000273550910 192200289 /nfs/dbraw/zinc/20/02/89/192200289.db2.gz BSYSMJHOSZAFFW-UHFFFAOYSA-N 2 0 290.411 1.609 10 0 CDAERP O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634764885 358501740 /nfs/dbraw/zinc/50/17/40/358501740.db2.gz FCRPPFDCVHMMRI-YXWQFLTLSA-N 2 0 277.412 1.119 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCN1CCCCCC1 ZINC000234784287 140231727 /nfs/dbraw/zinc/23/17/27/140231727.db2.gz WFAMYZJPSIUNHO-AWEZNQCLSA-N 2 0 257.422 1.206 10 0 CDAERP COc1cc([C@@H](C)[NH2+]CCC[NH3+])cc(OC)c1OC ZINC000037713577 356522641 /nfs/dbraw/zinc/52/26/41/356522641.db2.gz JRVFBWQJHHRCAD-SNVBAGLBSA-N 2 0 268.357 1.712 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000418248188 283176932 /nfs/dbraw/zinc/17/69/32/283176932.db2.gz VBVWBMVIEVIBAU-IJLUTSLNSA-N 2 0 258.410 1.142 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2ccncc2)CC1 ZINC000022926518 356624403 /nfs/dbraw/zinc/62/44/03/356624403.db2.gz PZJPTHPHWYPBQZ-KRWDZBQOSA-N 2 0 288.439 1.684 10 0 CDAERP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262346938 295934739 /nfs/dbraw/zinc/93/47/39/295934739.db2.gz GWHPHHJESWXUTH-OWYFMNJBSA-N 2 0 295.471 1.857 10 0 CDAERP CC[NH+]1CCC(CC[NH2+]C[C@@H](O)C[C@](C)(O)C2CC2)CC1 ZINC000634706153 357378891 /nfs/dbraw/zinc/37/88/91/357378891.db2.gz LPQNUIPMQNCPAD-IRXDYDNUSA-N 2 0 298.471 1.610 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Cn1ccnc1 ZINC000558643827 357847128 /nfs/dbraw/zinc/84/71/28/357847128.db2.gz AYYGWSIAOIRJQW-OLZOCXBDSA-N 2 0 264.373 1.120 10 0 CDAERP C[C@@H]1CCC[C@@](CNC(=O)C[C@H]2CC[NH2+]C2)([NH+](C)C)C1 ZINC000247180732 140289477 /nfs/dbraw/zinc/28/94/77/140289477.db2.gz SAWUNLBFWIRLKR-IIAWOOMASA-N 2 0 281.444 1.613 10 0 CDAERP CNC(=O)C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccccc1 ZINC000423100666 283331860 /nfs/dbraw/zinc/33/18/60/283331860.db2.gz VKOHTSZFHITFPU-AVVWSFFYSA-N 2 0 289.423 1.971 10 0 CDAERP C[C@H]([NH2+]C1CC1)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000566185483 358314733 /nfs/dbraw/zinc/31/47/33/358314733.db2.gz LKVLSUQYFGZWTB-GVXVVHGQSA-N 2 0 253.390 1.068 10 0 CDAERP Cn1cncc1CCC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000653777162 412673673 /nfs/dbraw/zinc/67/36/73/412673673.db2.gz JUZJDPGVUXAESR-UHFFFAOYSA-N 2 0 292.427 1.149 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](C)[C@H](C)[C@H]2C)CC[N@@H+]1C ZINC000632275333 358958855 /nfs/dbraw/zinc/95/88/55/358958855.db2.gz RJJCPFASLMTVSG-YIYPIFLZSA-N 2 0 267.417 1.268 10 0 CDAERP CC(C)[NH+](CCN[C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)C(C)C ZINC000261903325 359083508 /nfs/dbraw/zinc/08/35/08/359083508.db2.gz HXWPMKATNVNAHA-BBWFWOEESA-N 2 0 297.487 1.852 10 0 CDAERP Cc1nc(C)n(C[C@H]2CCC[N@H+](C[C@]3(C)CC[NH2+]C3)C2)n1 ZINC000262027016 359123956 /nfs/dbraw/zinc/12/39/56/359123956.db2.gz NRRJZZNTMADCBX-JKSUJKDBSA-N 2 0 291.443 1.607 10 0 CDAERP CC(C)(C)NC(=O)CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000262029094 359124032 /nfs/dbraw/zinc/12/40/32/359124032.db2.gz XIPLBEAQSUDSQG-MJBXVCDLSA-N 2 0 297.443 1.038 10 0 CDAERP C(C[NH+]1CCC(C[NH+]2CCOCC2)CC1)[C@H]1CCCCO1 ZINC000347389378 359340786 /nfs/dbraw/zinc/34/07/86/359340786.db2.gz DVRHHWBLLKCDSH-QGZVFWFLSA-N 2 0 296.455 1.990 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000339442590 359407749 /nfs/dbraw/zinc/40/77/49/359407749.db2.gz LESLGMNZYUJIJX-LSDHHAIUSA-N 2 0 298.475 1.890 10 0 CDAERP Cc1cc(C[C@H](C)[NH2+][C@H]2CCCCC[C@H]2[NH3+])[nH]n1 ZINC000422991929 359703224 /nfs/dbraw/zinc/70/32/24/359703224.db2.gz QLZQPEODQBRSKY-GDLCADMTSA-N 2 0 250.390 1.899 10 0 CDAERP Cc1cc(C[C@H](C)[NH2+][C@@H]2CCCC[C@H]2C[NH3+])[nH]n1 ZINC000422993404 359705118 /nfs/dbraw/zinc/70/51/18/359705118.db2.gz STRTZGLCYDGANC-VHRBIJSZSA-N 2 0 250.390 1.756 10 0 CDAERP COC[C@H]([NH2+][C@@H](C)C[C@@H]1COCCN1)c1ccccc1 ZINC000422958152 359716992 /nfs/dbraw/zinc/71/69/92/359716992.db2.gz WVHNCGWVUOGUCL-IMJJTQAJSA-N 2 0 278.396 1.731 10 0 CDAERP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[NH2+]C2)[C@H]1C ZINC000423573125 359860505 /nfs/dbraw/zinc/86/05/05/359860505.db2.gz YWKDEYLWHSZZRA-XUXIUFHCSA-N 2 0 268.401 1.696 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)CCC1CC[NH2+]CC1 ZINC000061645140 359924018 /nfs/dbraw/zinc/92/40/18/359924018.db2.gz NKZLVZPPTASHLJ-CQSZACIVSA-N 2 0 267.417 1.319 10 0 CDAERP [NH3+]Cc1ccc(CNC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000335350215 359999346 /nfs/dbraw/zinc/99/93/46/359999346.db2.gz RJFIFUDAGAUUSL-LSDHHAIUSA-N 2 0 288.395 1.039 10 0 CDAERP C[C@@H]1C[N@@H+](C2CCN(Cc3c[nH]cn3)CC2)CCO1 ZINC000092079321 360264181 /nfs/dbraw/zinc/26/41/81/360264181.db2.gz DVTHXKJKBHTOFW-GFCCVEGCSA-N 2 0 264.373 1.095 10 0 CDAERP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000335485114 360346586 /nfs/dbraw/zinc/34/65/86/360346586.db2.gz GWYYYTUJWLQQKR-UKRRQHHQSA-N 2 0 288.395 1.006 10 0 CDAERP C(N1CCSC2(CCOCC2)C1)C12CC(C1)C[NH2+]2 ZINC000634995232 360622327 /nfs/dbraw/zinc/62/23/27/360622327.db2.gz YPBCUANRSMGERK-UHFFFAOYSA-N 2 0 268.426 1.336 10 0 CDAERP c1ccc(N2CC[C@@H](C[NH2+]CC34CC(C3)C[NH2+]4)C2)cc1 ZINC000634995803 360625010 /nfs/dbraw/zinc/62/50/10/360625010.db2.gz PIWAYEKAPVOHHW-UQPPLGOBSA-N 2 0 271.408 1.855 10 0 CDAERP O=C(Nc1ccc2c(c1)C[NH2+]C2)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000335653846 360673165 /nfs/dbraw/zinc/67/31/65/360673165.db2.gz NAAZAFKWEOGNSM-ZFWWWQNUSA-N 2 0 257.337 1.228 10 0 CDAERP C[C@@H](CNC(=O)N[C@@H]1CC[NH2+]C12CCC2)C[NH+]1CCCC1 ZINC000626941954 360674202 /nfs/dbraw/zinc/67/42/02/360674202.db2.gz PJKXCQIRXFRKAS-UONOGXRCSA-N 2 0 294.443 1.302 10 0 CDAERP C[C@@H]1CCN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)C[C@H]1C[NH3+] ZINC000417832299 360780346 /nfs/dbraw/zinc/78/03/46/360780346.db2.gz IMWWRNROPLNZPW-UPJWGTAASA-N 2 0 267.417 1.208 10 0 CDAERP COC1(C[C@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)CCC1 ZINC000429514532 360844962 /nfs/dbraw/zinc/84/49/62/360844962.db2.gz DVEDAKPDQNARBD-INIZCTEOSA-N 2 0 297.487 1.951 10 0 CDAERP CC[C@H](C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C)[NH+](C)C ZINC000338970784 361181492 /nfs/dbraw/zinc/18/14/92/361181492.db2.gz NFTKRRABRDWFPC-MGPQQGTHSA-N 2 0 269.433 1.706 10 0 CDAERP CCc1ncc(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)s1 ZINC000336565744 363752065 /nfs/dbraw/zinc/75/20/65/363752065.db2.gz CCBVEDIEHIRVKX-ZYHUDNBSSA-N 2 0 251.399 1.889 10 0 CDAERP C[C@H]1CN(C)C[C@@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000339496366 361538089 /nfs/dbraw/zinc/53/80/89/361538089.db2.gz BGBBJAXBMMALIO-GJZGRUSLSA-N 3 0 253.434 1.792 10 0 CDAERP C[NH+]1CCC(CNC(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000352862484 364072583 /nfs/dbraw/zinc/07/25/83/364072583.db2.gz AWRSBFPWYDMUJS-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP [NH3+]C[C@H](NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C1CCCC1 ZINC000582231342 364102453 /nfs/dbraw/zinc/10/24/53/364102453.db2.gz KAZULOHWLWDKBN-MJBXVCDLSA-N 2 0 280.416 1.040 10 0 CDAERP CC[C@H](C)C[NH+]1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000170599781 364178002 /nfs/dbraw/zinc/17/80/02/364178002.db2.gz VAVJHZQBEAKRIU-INIZCTEOSA-N 2 0 283.460 1.372 10 0 CDAERP C[C@H]([NH3+])CCC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000248895085 364341294 /nfs/dbraw/zinc/34/12/94/364341294.db2.gz XKIFBOLVNIOIOP-KBPBESRZSA-N 2 0 269.433 1.742 10 0 CDAERP COCCN(C)CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000367601951 364634747 /nfs/dbraw/zinc/63/47/47/364634747.db2.gz QPWTXEYAJHVKMJ-ZNMIVQPWSA-N 2 0 269.433 1.027 10 0 CDAERP COC[C@@H](C)C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000187774663 364821575 /nfs/dbraw/zinc/82/15/75/364821575.db2.gz NKGOJNKDYOFOLK-AWEZNQCLSA-N 2 0 283.460 1.417 10 0 CDAERP [NH3+]CCC[C@H]([NH3+])c1ccc(O)c(Br)c1 ZINC000575440351 364995694 /nfs/dbraw/zinc/99/56/94/364995694.db2.gz PKBBMDRVNIJBHO-VIFPVBQESA-N 2 0 259.147 1.893 10 0 CDAERP C[C@@H](NC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H](C)[NH3+] ZINC000417221071 296076745 /nfs/dbraw/zinc/07/67/45/296076745.db2.gz NDFGOOGMRMJOTR-RFQIPJPRSA-N 2 0 298.475 1.778 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)CCc1ncc[nH]1 ZINC000353430806 365200939 /nfs/dbraw/zinc/20/09/39/365200939.db2.gz JRNAUQHWIXVDRY-CHWSQXEVSA-N 2 0 278.400 1.721 10 0 CDAERP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)[C@@H]1C[C@H]1C ZINC000414065368 241050860 /nfs/dbraw/zinc/05/08/60/241050860.db2.gz OILQRQJDPLWRSY-UMVBOHGHSA-N 2 0 253.434 1.647 10 0 CDAERP Cc1occc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000414285824 241139488 /nfs/dbraw/zinc/13/94/88/241139488.db2.gz MCDVTMLDWRNFMC-UHFFFAOYSA-N 2 0 252.358 1.790 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000626974905 367118144 /nfs/dbraw/zinc/11/81/44/367118144.db2.gz NDNNADHABCWFSW-BFHYXJOUSA-N 2 0 282.432 1.301 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000626998715 367220191 /nfs/dbraw/zinc/22/01/91/367220191.db2.gz QXTJJEHUOXLBJA-KFWWJZLASA-N 2 0 296.459 1.404 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000627036734 367277126 /nfs/dbraw/zinc/27/71/26/367277126.db2.gz MUHSWESTFGNDMC-MELADBBJSA-N 2 0 282.432 1.301 10 0 CDAERP C[C@H]1CC[C@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)C[NH2+]1 ZINC000627025783 367248654 /nfs/dbraw/zinc/24/86/54/367248654.db2.gz XLXXDXMLTQZZTI-HESLUPGFSA-N 2 0 294.443 1.443 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)NCCCCC[NH+]2CCCC2)C[NH2+]1 ZINC000627045545 367295604 /nfs/dbraw/zinc/29/56/04/367295604.db2.gz FJRBTMJQMXCKCG-CABCVRRESA-N 2 0 296.459 1.692 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)NCC[NH2+]C2CCCCCC2)C[NH2+]1 ZINC000627080970 367382138 /nfs/dbraw/zinc/38/21/38/367382138.db2.gz UFGDXZWAPYOIDJ-UKRRQHHQSA-N 2 0 296.459 1.739 10 0 CDAERP CCN(CCC[NH+](CC)CC)C(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000230712264 367532276 /nfs/dbraw/zinc/53/22/76/367532276.db2.gz RLJNBVXVGJWDAR-KBPBESRZSA-N 2 0 269.433 1.422 10 0 CDAERP CC1=CCN(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000358244144 367538310 /nfs/dbraw/zinc/53/83/10/367538310.db2.gz WEUPIUTTWRWRPU-HRCADAONSA-N 2 0 265.445 1.957 10 0 CDAERP O=C(NCC[NH+]1CCCC1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000248750419 283955199 /nfs/dbraw/zinc/95/51/99/283955199.db2.gz GIMUZAGLKMWKML-MCIONIFRSA-N 2 0 265.401 1.119 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)N[C@@H]2CC[NH2+][C@H]2C)[C@H](C)C1 ZINC000627242732 367812412 /nfs/dbraw/zinc/81/24/12/367812412.db2.gz YIEXFEBWWRJGAR-XJFOESAGSA-N 2 0 282.432 1.109 10 0 CDAERP CC1CC[NH+](CCCNC(=O)C2=CC[C@@H]([NH3+])C2)CC1 ZINC000638053081 367852771 /nfs/dbraw/zinc/85/27/71/367852771.db2.gz GEOCJUUDNNJLQL-CQSZACIVSA-N 2 0 265.401 1.272 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000627244899 367855859 /nfs/dbraw/zinc/85/58/59/367855859.db2.gz KJTHIAQRJFTYAI-BYNSBNAKSA-N 2 0 294.443 1.301 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COC(C)C)[C@@H](C)C1 ZINC000305144820 370892213 /nfs/dbraw/zinc/89/22/13/370892213.db2.gz NEFXZOOVFDWVEG-ZNMIVQPWSA-N 2 0 272.433 1.434 10 0 CDAERP [NH3+]CCCNC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000418313647 242931485 /nfs/dbraw/zinc/93/14/85/242931485.db2.gz QZICGPUMGGUBGJ-CYBMUJFWSA-N 2 0 264.373 1.115 10 0 CDAERP C[C@@H](NC1CC[NH+](C(C)(C)C)CC1)[C@@H]1CC[NH2+]C1 ZINC000400344428 296114856 /nfs/dbraw/zinc/11/48/56/296114856.db2.gz GPKNJUSZFMXXQY-CHWSQXEVSA-N 2 0 253.434 1.837 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000418384784 243011253 /nfs/dbraw/zinc/01/12/53/243011253.db2.gz PAVKZKFZYZSKQZ-MJBXVCDLSA-N 2 0 282.432 1.110 10 0 CDAERP CCC[NH2+]CCNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000418479496 243128815 /nfs/dbraw/zinc/12/88/15/243128815.db2.gz ZCJMFVNDPXVKMY-KGLIPLIRSA-N 2 0 284.448 1.358 10 0 CDAERP CN(C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000418573282 243226876 /nfs/dbraw/zinc/22/68/76/243226876.db2.gz FKJWIJOQIULDOT-YRGRVCCFSA-N 2 0 280.416 1.134 10 0 CDAERP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1)[C@H](C)[NH3+] ZINC000418704256 243357441 /nfs/dbraw/zinc/35/74/41/243357441.db2.gz RDMSJQCBTRMAIW-UONOGXRCSA-N 2 0 292.427 1.496 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)N[C@H](C)CCC[NH3+])CC1 ZINC000418709315 243364024 /nfs/dbraw/zinc/36/40/24/243364024.db2.gz QZVPLZNCEQAIQW-CQSZACIVSA-N 2 0 298.475 1.877 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000638249665 368903410 /nfs/dbraw/zinc/90/34/10/368903410.db2.gz JBPRWTIJLRXOBT-IACUBPJLSA-N 2 0 280.416 1.040 10 0 CDAERP CC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H]1CCOC1 ZINC000361574916 368908429 /nfs/dbraw/zinc/90/84/29/368908429.db2.gz AYJZCGZPKOFYOC-OAHLLOKOSA-N 2 0 297.443 1.086 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000630582264 369316320 /nfs/dbraw/zinc/31/63/20/369316320.db2.gz ZVINNESZHRFSQG-SMDDNHRTSA-N 2 0 276.384 1.620 10 0 CDAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000414946885 370956653 /nfs/dbraw/zinc/95/66/53/370956653.db2.gz UTTTZSAENCYLPO-XGUBFFRZSA-N 2 0 253.434 1.885 10 0 CDAERP COC1(C[C@H](C)[NH2+]C[C@H]2CN3CCC[C@H]3CO2)CCC1 ZINC000368467771 369486747 /nfs/dbraw/zinc/48/67/47/369486747.db2.gz XFRWZTQLWKCAKT-KKUMJFAQSA-N 2 0 282.428 1.787 10 0 CDAERP C[C@@]1(C(=O)N2CCC([NH+]3CCCC3)CC2)CCCC[NH2+]1 ZINC000136199100 369807667 /nfs/dbraw/zinc/80/76/67/369807667.db2.gz SXFCHBXXOQGEOQ-INIZCTEOSA-N 2 0 279.428 1.605 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1C ZINC000630795950 370017578 /nfs/dbraw/zinc/01/75/78/370017578.db2.gz JXEXZZXFVFCCFE-AEGPPILISA-N 2 0 279.428 1.317 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)CC[N@@H+]1C ZINC000630838036 370061894 /nfs/dbraw/zinc/06/18/94/370061894.db2.gz BDBJCNQOLJRDAY-HRCADAONSA-N 2 0 295.471 1.953 10 0 CDAERP O=C(C[C@@H]1CSCC[NH2+]1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000371245142 370222741 /nfs/dbraw/zinc/22/27/41/370222741.db2.gz SUKVFMZNCYXYBN-BFHYXJOUSA-N 2 0 297.468 1.072 10 0 CDAERP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NCc1ccc2c(c1)C[NH2+]CC2 ZINC000565095858 370350418 /nfs/dbraw/zinc/35/04/18/370350418.db2.gz WZERSOYTSKYFBX-IIYDPXPESA-N 3 0 273.424 1.808 10 0 CDAERP [NH3+][C@H]1CCC[C@H]([NH2+]CCc2cnc(C3CC3)nc2)C1 ZINC000565492836 370459951 /nfs/dbraw/zinc/45/99/51/370459951.db2.gz XTOXQLRXDRKNNF-KBPBESRZSA-N 2 0 260.385 1.756 10 0 CDAERP CO[C@@H]1CC[C@@H]2OCCN(CCC[NH+]3CCCC3)[C@@H]2C1 ZINC000121057013 370482850 /nfs/dbraw/zinc/48/28/50/370482850.db2.gz ADFWZESKKHNWSH-OAGGEKHMSA-N 2 0 282.428 1.741 10 0 CDAERP COc1cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc(OC)c1 ZINC000414935138 370598887 /nfs/dbraw/zinc/59/88/87/370598887.db2.gz ANJCZIHZSXZNKS-ABAIWWIYSA-N 2 0 264.369 1.791 10 0 CDAERP COC1(C[NH2+]C2CC([NH+]3CCCCC3)C2)CCOCC1 ZINC000373464395 370582713 /nfs/dbraw/zinc/58/27/13/370582713.db2.gz FFAKCZUYZOOZCV-UHFFFAOYSA-N 2 0 282.428 1.789 10 0 CDAERP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2C[C@H]2C)CC[NH2+]CC1 ZINC000422709946 245167869 /nfs/dbraw/zinc/16/78/69/245167869.db2.gz ZYQVJKSEUKYJLY-AGIUHOORSA-N 2 0 268.401 1.553 10 0 CDAERP CC[C@H](Cn1cncn1)[NH2+]CC(C)(C)C[NH+](C)C ZINC000340473741 371076555 /nfs/dbraw/zinc/07/65/55/371076555.db2.gz OSSLRBKWIOGVDL-GFCCVEGCSA-N 2 0 253.394 1.234 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)COC(C)C)C1 ZINC000567685022 371099212 /nfs/dbraw/zinc/09/92/12/371099212.db2.gz UDDXNGURAYWTKA-LSDHHAIUSA-N 2 0 272.433 1.340 10 0 CDAERP C[C@H]([NH2+][C@H]1CCN(c2ncccc2Cl)C1)C1C[NH2+]C1 ZINC000422870881 245357582 /nfs/dbraw/zinc/35/75/82/245357582.db2.gz CKLIBTULDKJZTI-JQWIXIFHSA-N 2 0 280.803 1.511 10 0 CDAERP C[C@H](NCC[NH+]1[C@@H](C)CCC[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422890475 245373368 /nfs/dbraw/zinc/37/33/68/245373368.db2.gz SKMQVGNANLWLPK-AJNGGQMLSA-N 2 0 253.434 1.979 10 0 CDAERP CC(C)(C)N1CC[C@@H]([N@@H+]2CCC[C@H](c3ncc[nH]3)C2)C1=O ZINC000569233109 371244961 /nfs/dbraw/zinc/24/49/61/371244961.db2.gz OTHOVQOWFOYBMF-QWHCGFSZSA-N 2 0 290.411 1.989 10 0 CDAERP C[C@@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC000572630473 371263213 /nfs/dbraw/zinc/26/32/13/371263213.db2.gz URFLCZWFZFOHQV-WOPDTQHZSA-N 2 0 255.406 1.267 10 0 CDAERP C[C@@H]([NH2+][C@H](CO)Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000573355247 371514452 /nfs/dbraw/zinc/51/44/52/371514452.db2.gz JCFWNAVISIBIEK-KBMXLJTQSA-N 2 0 262.397 1.568 10 0 CDAERP CC[C@H](C)[N@H+](C)CCN[C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422906147 245390239 /nfs/dbraw/zinc/39/02/39/245390239.db2.gz JJGGWAIEKMGREB-CFVMTHIKSA-N 2 0 269.433 1.073 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000377767125 371686633 /nfs/dbraw/zinc/68/66/33/371686633.db2.gz YWKVJKYTSQREGN-MRXNPFEDSA-N 2 0 299.434 1.752 10 0 CDAERP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000575116103 371744608 /nfs/dbraw/zinc/74/46/08/371744608.db2.gz IQEKCFNDPNOIBN-ZNMIVQPWSA-N 2 0 293.455 1.707 10 0 CDAERP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCNC(=O)c1ccccc1 ZINC000422908888 245394738 /nfs/dbraw/zinc/39/47/38/245394738.db2.gz DUZVGFKJECRUSM-CABCVRRESA-N 2 0 275.396 1.524 10 0 CDAERP C[NH2+]C[C@@H](C)C(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000378186012 371858894 /nfs/dbraw/zinc/85/88/94/371858894.db2.gz ZMVSLCZKDVYYPD-LLVKDONJSA-N 2 0 261.369 1.280 10 0 CDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H]2CCC(C)(C)O2)CC1 ZINC000248558846 296181745 /nfs/dbraw/zinc/18/17/45/296181745.db2.gz DUJCYKAAAPZVLV-GDBMZVCRSA-N 2 0 298.471 1.969 10 0 CDAERP Cc1ccc(C[N@@H+](CCO)CCc2cncn2C)cc1 ZINC000298450872 372126796 /nfs/dbraw/zinc/12/67/96/372126796.db2.gz NYSVOTSTKQLCRZ-UHFFFAOYSA-N 2 0 273.380 1.766 10 0 CDAERP CO[C@H](C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21)C1CCC1 ZINC000660119196 412795334 /nfs/dbraw/zinc/79/53/34/412795334.db2.gz YYRLWADYMRYZRC-MWDXBVQZSA-N 2 0 296.455 1.985 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[C@H]([NH3+])C[C@@H]1C ZINC000578202558 372344562 /nfs/dbraw/zinc/34/45/62/372344562.db2.gz WYNCGYGSNUYACD-WFASDCNBSA-N 2 0 285.395 1.887 10 0 CDAERP c1nc2c([nH]1)C[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CC2 ZINC000353631912 372879810 /nfs/dbraw/zinc/87/98/10/372879810.db2.gz QYBPZMRWYXWAHX-JHJVBQTASA-N 2 0 260.385 1.483 10 0 CDAERP C[NH2+][C@H](C)C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000382720657 373069504 /nfs/dbraw/zinc/06/95/04/373069504.db2.gz MFCLUFYOFDZELA-LSDHHAIUSA-N 2 0 289.423 1.717 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])C1 ZINC000645684852 373242181 /nfs/dbraw/zinc/24/21/81/373242181.db2.gz JGOXBLTXIYJDBM-OUCADQQQSA-N 2 0 253.390 1.104 10 0 CDAERP CC1(C)CC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000341426135 373684336 /nfs/dbraw/zinc/68/43/36/373684336.db2.gz GPAJMYUIGIQBJY-UHFFFAOYSA-N 2 0 279.428 1.461 10 0 CDAERP CC[C@H]1C[C@@H](C)C[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000342310679 374057915 /nfs/dbraw/zinc/05/79/15/374057915.db2.gz GOJLAHCWBUFMBA-HIFRSBDPSA-N 2 0 293.455 1.850 10 0 CDAERP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000423746875 246023752 /nfs/dbraw/zinc/02/37/52/246023752.db2.gz PVPFARNHRMAYIE-WDEREUQCSA-N 2 0 262.357 1.005 10 0 CDAERP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCCC1(C[NH3+])CC1 ZINC000652232301 541924497 /nfs/dbraw/zinc/92/44/97/541924497.db2.gz WJOSTQVFFFAFCC-RYUDHWBXSA-N 2 0 268.405 1.027 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)[C@H](C)C1 ZINC000418757173 374565521 /nfs/dbraw/zinc/56/55/21/374565521.db2.gz DLRMIOSQINJENW-BARDWOONSA-N 2 0 296.459 1.486 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)c2ccc3c(c2)C[NH2+]C3)CC[N@@H+]1C ZINC000334270658 374690181 /nfs/dbraw/zinc/69/01/81/374690181.db2.gz SQCLUXXSVFDBRB-WBMJQRKESA-N 2 0 287.407 1.845 10 0 CDAERP C[C@@H]1C[C@H](N2CCC[C@@H]([NH3+])C2=O)C[N@@H+]1Cc1ccccc1 ZINC000306565721 375076203 /nfs/dbraw/zinc/07/62/03/375076203.db2.gz FSQADVFZDYCFOP-VNQPRFMTSA-N 2 0 287.407 1.599 10 0 CDAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC([NH+](C)C)CC1 ZINC000334402626 375270066 /nfs/dbraw/zinc/27/00/66/375270066.db2.gz ZSANQEXHNHNBHU-STQMWFEESA-N 2 0 267.417 1.412 10 0 CDAERP CC(C)CNC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194737829 375957099 /nfs/dbraw/zinc/95/70/99/375957099.db2.gz OKFCNNRJVIAYPW-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H](O)C(F)F)CC1(C)C ZINC000631215253 376014643 /nfs/dbraw/zinc/01/46/43/376014643.db2.gz OROGEEOZJREDKH-VHSXEESVSA-N 2 0 250.333 1.465 10 0 CDAERP CO[C@@H]1CC[C@@H]2OCC[N@H+](CC[C@H]3CCC[NH2+]C3)[C@@H]2C1 ZINC000420377567 376342246 /nfs/dbraw/zinc/34/22/46/376342246.db2.gz SNSGVUJGQFVFOC-FPCVCCKLSA-N 2 0 282.428 1.644 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000638979604 376342679 /nfs/dbraw/zinc/34/26/79/376342679.db2.gz GKDGJTJLYDYMED-OLZOCXBDSA-N 2 0 267.417 1.447 10 0 CDAERP [NH3+]CCN(Cc1ccccc1)C[C@H]1CCc2ncnn21 ZINC000631823467 376647207 /nfs/dbraw/zinc/64/72/07/376647207.db2.gz FKRQHHWBJCWZAM-CQSZACIVSA-N 2 0 271.368 1.226 10 0 CDAERP C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2F)C[C@H]1C[NH3+] ZINC000631840830 376694431 /nfs/dbraw/zinc/69/44/31/376694431.db2.gz FTLBXIQJUGQPBO-VXGBXAGGSA-N 2 0 279.359 1.681 10 0 CDAERP CC[NH+](CC)CCNC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000341455707 284631076 /nfs/dbraw/zinc/63/10/76/284631076.db2.gz DXORFHJAVIREOD-HUUCEWRRSA-N 2 0 298.475 1.890 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000249372294 377426328 /nfs/dbraw/zinc/42/63/28/377426328.db2.gz DQGLIFNCPJPOTA-FFHGMXDLSA-N 2 0 251.418 1.543 10 0 CDAERP CCC[C@H](C(=O)NCC[N@H+](C)C1CCCC1)[NH+](C)C ZINC000162023692 377858227 /nfs/dbraw/zinc/85/82/27/377858227.db2.gz KOMIWKGTDBBEQH-CQSZACIVSA-N 2 0 269.433 1.707 10 0 CDAERP Cc1ncccc1C[NH2+]CC1CC[NH+](CCO)CC1 ZINC000069370466 378065872 /nfs/dbraw/zinc/06/58/72/378065872.db2.gz JRUWDICFXRWUEH-UHFFFAOYSA-N 2 0 263.385 1.184 10 0 CDAERP COCCC[NH2+][C@@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001662349307 1172534664 /nfs/dbraw/zinc/53/46/64/1172534664.db2.gz BCWVQMJDAFTGKE-LSDHHAIUSA-N 2 0 299.459 1.382 10 0 CDAERP C[NH2+]C[C@@H]1CCCN1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000417790650 378824240 /nfs/dbraw/zinc/82/42/40/378824240.db2.gz NIUYTOTXWKWXJJ-DKUMPPAJSA-N 2 0 294.443 1.395 10 0 CDAERP C[C@@H]1CCC[N@H+](CCNC(=O)N2CC[NH+]3CCC2CC3)C1 ZINC000334531176 378893821 /nfs/dbraw/zinc/89/38/21/378893821.db2.gz FMHGURRYHBVZQE-CQSZACIVSA-N 2 0 294.443 1.208 10 0 CDAERP CC[C@H](C)C[NH2+][C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001662387493 1172540207 /nfs/dbraw/zinc/54/02/07/1172540207.db2.gz FMRJDVFLWREQIT-QWHCGFSZSA-N 2 0 267.417 1.223 10 0 CDAERP CC[NH+]1CCC(NC(=O)C[N@H+](C)C[C@H]2CC=CCC2)CC1 ZINC000344043249 379080561 /nfs/dbraw/zinc/08/05/61/379080561.db2.gz IHMBARBDDVZURO-HNNXBMFYSA-N 2 0 293.455 1.875 10 0 CDAERP CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000111816599 284759223 /nfs/dbraw/zinc/75/92/23/284759223.db2.gz UPAUOWNSTWAFEE-AWEZNQCLSA-N 2 0 298.475 1.889 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CC[C@@H](O)C(F)(F)F)CC[N@@H+]1C ZINC000639171669 379168479 /nfs/dbraw/zinc/16/84/79/379168479.db2.gz DDASDELZBDVCJQ-KXUCPTDWSA-N 2 0 254.296 1.372 10 0 CDAERP CO[C@H](C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)[C@H]1CCOC1 ZINC000660665865 412933707 /nfs/dbraw/zinc/93/37/07/412933707.db2.gz YGTSOVQUUWPTRS-XHSDSOJGSA-N 2 0 282.428 1.456 10 0 CDAERP COCCC[N@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001662878399 1172607244 /nfs/dbraw/zinc/60/72/44/1172607244.db2.gz NGPCEENIIFXPEQ-HNNXBMFYSA-N 2 0 299.459 1.286 10 0 CDAERP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655970219 412983525 /nfs/dbraw/zinc/98/35/25/412983525.db2.gz FDIORLCVDJGHEJ-FQUUOJAGSA-N 2 0 282.432 1.238 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000647055971 390381104 /nfs/dbraw/zinc/38/11/04/390381104.db2.gz MPIKRYOWJZDHRF-UONOGXRCSA-N 2 0 279.428 1.509 10 0 CDAERP C[C@@H](CC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)[C@H]1CCC[NH2+]C1 ZINC000647060714 390383777 /nfs/dbraw/zinc/38/37/77/390383777.db2.gz QHRWXLGKTIDSQA-YHUYYLMFSA-N 2 0 293.455 1.470 10 0 CDAERP CC(C)C[C@H]([NH3+])c1noc(-c2coc(C[NH3+])c2)n1 ZINC000647133044 390502153 /nfs/dbraw/zinc/50/21/53/390502153.db2.gz QIZKQIASFVBZLY-JTQLQIEISA-N 2 0 250.302 1.834 10 0 CDAERP [NH3+]C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000178477426 390445082 /nfs/dbraw/zinc/44/50/82/390445082.db2.gz QKFGWFCQMHMXPA-IZGVIRRGSA-N 2 0 273.380 1.128 10 0 CDAERP C[C@H]1C[C@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)CO1 ZINC000647187494 390835840 /nfs/dbraw/zinc/83/58/40/390835840.db2.gz OYJAFJCWJQSPRO-HOTGVXAUSA-N 2 0 295.471 1.704 10 0 CDAERP CC1CCC([NH+]2CCN(C(=O)[C@@H]3CC[C@@H]([NH3+])C3)CC2)CC1 ZINC000236788421 390919008 /nfs/dbraw/zinc/91/90/08/390919008.db2.gz WJFFOCRZDPJTFN-LVDPKSTMSA-N 2 0 293.455 1.837 10 0 CDAERP CCCC(=O)NC1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000647514223 390980688 /nfs/dbraw/zinc/98/06/88/390980688.db2.gz RPDITLOEDDZYMS-HNNXBMFYSA-N 2 0 267.417 1.367 10 0 CDAERP C[C@@H]1C[NH2+]C[C@@H](NC[C@H](Cc2ccc(F)cc2)C(N)=O)C1 ZINC000647551546 390996312 /nfs/dbraw/zinc/99/63/12/390996312.db2.gz UTLVYYVIAFZWCB-WHOFXGATSA-N 2 0 293.386 1.057 10 0 CDAERP C[C@H](C[NH3+])CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000417950058 391049841 /nfs/dbraw/zinc/04/98/41/391049841.db2.gz VOGPYGVGHAVVKA-BPLDGKMQSA-N 2 0 290.411 1.326 10 0 CDAERP CC[NH2+][C@H](C)CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000417785059 391062891 /nfs/dbraw/zinc/06/28/91/391062891.db2.gz JADWWJSAMPYPHH-RLAWYHOSSA-N 2 0 282.432 1.299 10 0 CDAERP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1CCC(F)CC1 ZINC000647804017 391067057 /nfs/dbraw/zinc/06/70/57/391067057.db2.gz HURLLHIGWIJNEN-YOMYCBHVSA-N 2 0 258.381 1.857 10 0 CDAERP CC[C@H](C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)[NH+](C)C ZINC000338970781 391236812 /nfs/dbraw/zinc/23/68/12/391236812.db2.gz NFTKRRABRDWFPC-HZSPNIEDSA-N 2 0 269.433 1.706 10 0 CDAERP C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)OCC1CC1 ZINC000647903806 391202395 /nfs/dbraw/zinc/20/23/95/391202395.db2.gz QFMBWGPISDGCRT-LSDHHAIUSA-N 2 0 252.402 1.877 10 0 CDAERP O[C@@H](C[NH2+][C@H]1CCCc2ccccc2C1)C[NH+]1CCCC1 ZINC000648433477 391319680 /nfs/dbraw/zinc/31/96/80/391319680.db2.gz XMXVTVAGIFOJDJ-ROUUACIJSA-N 2 0 288.435 1.980 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCN1CCO[C@]2(CCOC2)C1 ZINC000346208601 391341872 /nfs/dbraw/zinc/34/18/72/391341872.db2.gz XYKSBVLZOLIAJQ-LSDHHAIUSA-N 2 0 268.401 1.352 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[C@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000418344520 391349659 /nfs/dbraw/zinc/34/96/59/391349659.db2.gz SAAWAVVLCAQCNJ-KFWWJZLASA-N 2 0 296.459 1.358 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C)C[NH2+]C)[C@@H](C)C1 ZINC000418370413 391424845 /nfs/dbraw/zinc/42/48/45/391424845.db2.gz WBOYOIGSERCXJK-IHRRRGAJSA-N 2 0 284.448 1.214 10 0 CDAERP C[C@@H]1CCCCN1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647788134 391468637 /nfs/dbraw/zinc/46/86/37/391468637.db2.gz CTDPIPDQMJOHSY-FXUDXRNXSA-N 3 0 265.445 1.839 10 0 CDAERP OC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccsc1 ZINC000647795673 391642682 /nfs/dbraw/zinc/64/26/82/391642682.db2.gz SWTHRSZPNKBAOE-CABNGKKXSA-N 2 0 266.410 1.759 10 0 CDAERP CC(C)[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2O)C[C@H]1C ZINC000263266473 391620132 /nfs/dbraw/zinc/62/01/32/391620132.db2.gz RQBSFPSMKMGNEI-CAEXGNQWSA-N 2 0 254.418 1.617 10 0 CDAERP COC(=O)[C@H]1CSCC[N@H+](CCn2ccnc2C)C1 ZINC000412086713 391589578 /nfs/dbraw/zinc/58/95/78/391589578.db2.gz VLBBGOFYSDMZKY-GFCCVEGCSA-N 2 0 283.397 1.030 10 0 CDAERP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCc1ncn(C)n1 ZINC000647800960 391664046 /nfs/dbraw/zinc/66/40/46/391664046.db2.gz NBSPCZDRPGYUJO-DZGCQCFKSA-N 2 0 287.411 1.296 10 0 CDAERP C[C@@H]1C[N@H+](Cc2ccc(-n3cncn3)cc2)C[C@@]1(C)C[NH3+] ZINC000415051444 391726867 /nfs/dbraw/zinc/72/68/67/391726867.db2.gz FMIKXMULMCFLEL-CZUORRHYSA-N 2 0 285.395 1.684 10 0 CDAERP C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2cccnc2)C[C@@]1(C)C[NH3+] ZINC000415055748 391737859 /nfs/dbraw/zinc/73/78/59/391737859.db2.gz OYBYPEZFTNBQDG-CXAGYDPISA-N 2 0 299.422 1.899 10 0 CDAERP CN(C(=O)[C@@H]1CCCCCC[C@@H]1[NH3+])[C@H]1CC[NH2+]C1 ZINC000179084841 391761969 /nfs/dbraw/zinc/76/19/69/391761969.db2.gz WXGWLRFCWHWRHS-XQQFMLRXSA-N 2 0 253.390 1.104 10 0 CDAERP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)COC1CCC([NH3+])CC1 ZINC000647650107 391787431 /nfs/dbraw/zinc/78/74/31/391787431.db2.gz IVRYGHZQTBVHFM-BLYZHGLHSA-N 2 0 283.416 1.001 10 0 CDAERP O=C(NC[C@H]1CCC[N@@H+](CC2(F)CC2)C1)[C@H]1CCC[NH2+]1 ZINC000516181963 391808686 /nfs/dbraw/zinc/80/86/86/391808686.db2.gz CZNUIODRSVLHLR-CHWSQXEVSA-N 2 0 283.391 1.069 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)[C@@H]1n1cccn1 ZINC000516173679 391812044 /nfs/dbraw/zinc/81/20/44/391812044.db2.gz YQTLPIWOQJVFJM-NPJQDHAYSA-N 2 0 292.427 1.579 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]1CC[N@H+](CC)C1)[NH+](CC)CC ZINC000344082781 391895984 /nfs/dbraw/zinc/89/59/84/391895984.db2.gz XGMVBUMNXIFNMB-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H](C)[NH+](C)C2CC2)C1 ZINC000247393696 391898774 /nfs/dbraw/zinc/89/87/74/391898774.db2.gz QOYZUPZUUBSLMM-UMVBOHGHSA-N 2 0 296.459 1.497 10 0 CDAERP CC[N@H+](CCNC(=O)N(C)[C@H]1CC[NH+](C)[C@H](C)C1)C(C)C ZINC000341099583 391949217 /nfs/dbraw/zinc/94/92/17/391949217.db2.gz ZYDMSPPYTJIABE-CABCVRRESA-N 2 0 298.475 1.841 10 0 CDAERP C[C@H]1C[C@@H](N(C)C(=O)c2ccc(C[NH3+])o2)CC[N@@H+]1C ZINC000646069024 391970333 /nfs/dbraw/zinc/97/03/33/391970333.db2.gz JEDIFSRODKQQRX-QWRGUYRKSA-N 2 0 265.357 1.293 10 0 CDAERP Cc1cnn(CCN(C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000336807287 392092367 /nfs/dbraw/zinc/09/23/67/392092367.db2.gz IEGSHXYKTUBPBU-HNNXBMFYSA-N 2 0 264.417 1.998 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000423071413 392316369 /nfs/dbraw/zinc/31/63/69/392316369.db2.gz HUAGUGFSSMMVSV-HUBLWGQQSA-N 2 0 293.386 1.642 10 0 CDAERP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2ccccc2CC[NH3+])C1 ZINC000568149586 392373864 /nfs/dbraw/zinc/37/38/64/392373864.db2.gz SMJFLHCXOCJESL-OCCSQVGLSA-N 2 0 275.396 1.387 10 0 CDAERP COC(=O)COc1ccccc1[C@H](C)[NH2+]CCC[NH3+] ZINC000423193413 392431889 /nfs/dbraw/zinc/43/18/89/392431889.db2.gz QPAABQCAHSNHFK-NSHDSACASA-N 2 0 266.341 1.238 10 0 CDAERP C[NH2+]CCNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000423249145 392470706 /nfs/dbraw/zinc/47/07/06/392470706.db2.gz RRAAJNUUQMIONZ-OAHLLOKOSA-N 2 0 275.440 1.891 10 0 CDAERP C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000645889377 392472587 /nfs/dbraw/zinc/47/25/87/392472587.db2.gz GYMUAHABXMBEKC-ZWNOBZJWSA-N 2 0 271.324 1.204 10 0 CDAERP CC(C)[C@H](Cn1cccn1)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423274899 392482128 /nfs/dbraw/zinc/48/21/28/392482128.db2.gz MMEJLDQHYMLFHP-CABCVRRESA-N 2 0 264.417 1.887 10 0 CDAERP OCC[C@]1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CCOC1 ZINC000574308162 392567859 /nfs/dbraw/zinc/56/78/59/392567859.db2.gz PEDKMLNEUZIWHK-YLFCFFPRSA-N 2 0 296.455 1.676 10 0 CDAERP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@H]([NH3+])C2)o1 ZINC000646569658 392571527 /nfs/dbraw/zinc/57/15/27/392571527.db2.gz JXXZLLFQPURCHN-LBPRGKRZSA-N 2 0 279.384 1.685 10 0 CDAERP C[NH+](C)C1CCN(CCNC(=O)N2CC[C@H]2C2CC2)CC1 ZINC000458596665 392614504 /nfs/dbraw/zinc/61/45/04/392614504.db2.gz OOCZWWRTUXSTIG-HNNXBMFYSA-N 2 0 294.443 1.206 10 0 CDAERP C[C@H]([NH3+])C1CCN(C(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000178407244 140004879 /nfs/dbraw/zinc/00/48/79/140004879.db2.gz KGNSNZLPIBHOLI-NSHDSACASA-N 2 0 261.369 1.345 10 0 CDAERP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)NC3CC3)C2)[nH+]1 ZINC000195516136 140157383 /nfs/dbraw/zinc/15/73/83/140157383.db2.gz RQPHVOWXYTXNQI-ZDUSSCGKSA-N 2 0 288.395 1.402 10 0 CDAERP CCC(C)(C)NC(=O)CN(C)[C@H]1CCC[NH2+]CC1 ZINC000231670259 140217555 /nfs/dbraw/zinc/21/75/55/140217555.db2.gz YDFPBEPBXBWCMX-LBPRGKRZSA-N 2 0 255.406 1.365 10 0 CDAERP CCC[NH+](CCC)CCCNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000236992656 140249642 /nfs/dbraw/zinc/24/96/42/140249642.db2.gz LZEVLAJQDRXDON-UONOGXRCSA-N 2 0 269.433 1.742 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000250354228 140303630 /nfs/dbraw/zinc/30/36/30/140303630.db2.gz XWIPXGLOOJKNAB-RRFJBIMHSA-N 2 0 275.396 1.533 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C[C@H]1CSCC[NH2+]1 ZINC000251902132 140314877 /nfs/dbraw/zinc/31/48/77/140314877.db2.gz WMSZGKGYPLTEHG-HZSPNIEDSA-N 2 0 297.468 1.167 10 0 CDAERP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000261659028 140371515 /nfs/dbraw/zinc/37/15/15/140371515.db2.gz GBWFYHSZWSBBOE-YIYPIFLZSA-N 2 0 267.417 1.480 10 0 CDAERP Cc1nc(C[C@@H]2CCC[N@H+](C[C@@]3(C)CC[NH2+]C3)C2)no1 ZINC000261732998 140382656 /nfs/dbraw/zinc/38/26/56/140382656.db2.gz HKOSSCRZNCYBND-ZFWWWQNUSA-N 2 0 278.400 1.632 10 0 CDAERP C[C@]1(C[N@@H+]2CC[C@H](C3CCOCC3)C2)CC[NH2+]C1 ZINC000261994314 140414695 /nfs/dbraw/zinc/41/46/95/140414695.db2.gz KOUMLVSCGDJKID-GJZGRUSLSA-N 2 0 252.402 1.735 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001663619774 1172735849 /nfs/dbraw/zinc/73/58/49/1172735849.db2.gz FUWUIJPSUOPAGR-CQSZACIVSA-N 2 0 267.417 1.176 10 0 CDAERP O=C(C[C@H]1CC[NH2+]C1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662524440 413095180 /nfs/dbraw/zinc/09/51/80/413095180.db2.gz WVVGRWMEFSUNCZ-RBSFLKMASA-N 2 0 279.428 1.224 10 0 CDAERP CO[C@H](CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1)C(F)(F)F ZINC000656198827 413095696 /nfs/dbraw/zinc/09/56/96/413095696.db2.gz ZOFWBHVRIDNMCY-KXUCPTDWSA-N 2 0 254.296 1.813 10 0 CDAERP COCC1(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000656199887 413098102 /nfs/dbraw/zinc/09/81/02/413098102.db2.gz GDWVGUNWHIBZQX-HZSPNIEDSA-N 2 0 268.401 1.160 10 0 CDAERP CO[C@H](C[N@H+](C)CCC[NH+]1CCCC1)[C@H]1CCOC1 ZINC000660463998 413141903 /nfs/dbraw/zinc/14/19/03/413141903.db2.gz KQERMDTWLMNJKD-LSDHHAIUSA-N 2 0 270.417 1.456 10 0 CDAERP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N1CCC2(CC[NH2+]2)CC1 ZINC000662578989 413146494 /nfs/dbraw/zinc/14/64/94/413146494.db2.gz IXOXPBLOBLPVHV-HNNXBMFYSA-N 2 0 285.391 1.576 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)c1cccc2c1C[NH2+]C2 ZINC000662580536 413148034 /nfs/dbraw/zinc/14/80/34/413148034.db2.gz JQUQHVKENHWUIQ-UHFFFAOYSA-N 2 0 289.423 1.998 10 0 CDAERP C[C@@H]1C[C@H](NC[C@@H]2CC[NH+]2C(C)(C)C)CC[N@@H+]1C ZINC000658057283 413162799 /nfs/dbraw/zinc/16/27/99/413162799.db2.gz OJKVNYKAVQXAKW-MCIONIFRSA-N 2 0 253.434 1.932 10 0 CDAERP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H]1CCOC1 ZINC000658074982 413173018 /nfs/dbraw/zinc/17/30/18/413173018.db2.gz GBRNHQUHPQEWMG-AAVRWANBSA-N 2 0 256.390 1.110 10 0 CDAERP CC(C)[NH2+]CCC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000040809251 397901122 /nfs/dbraw/zinc/90/11/22/397901122.db2.gz DPDYCPLFUJFQPD-OAHLLOKOSA-N 2 0 277.412 1.794 10 0 CDAERP CN(CC(C)(C)[NH3+])C(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000662606090 413180400 /nfs/dbraw/zinc/18/04/00/413180400.db2.gz YJLUWRDYMCHOBB-VXGBXAGGSA-N 2 0 255.406 1.480 10 0 CDAERP Cc1cc(NCCN(C)CCC[NH+](C)C)cc[nH+]1 ZINC000664247745 413186809 /nfs/dbraw/zinc/18/68/09/413186809.db2.gz GMKHQXGCEPACKS-UHFFFAOYSA-N 2 0 250.390 1.107 10 0 CDAERP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)C1CCOCC1 ZINC000658109717 413210287 /nfs/dbraw/zinc/21/02/87/413210287.db2.gz VKYHMNZTPOQBBH-LSDHHAIUSA-N 2 0 285.476 1.663 10 0 CDAERP Cc1nccn1CCCC[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000179271801 148102738 /nfs/dbraw/zinc/10/27/38/148102738.db2.gz JAYIGXHWICAWGH-HNNXBMFYSA-N 2 0 288.399 1.900 10 0 CDAERP CC[C@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@H]1N1CCOCC1 ZINC000262012527 149000883 /nfs/dbraw/zinc/00/08/83/149000883.db2.gz VGXJXENGNNUOHF-JKSUJKDBSA-N 2 0 281.444 1.029 10 0 CDAERP C[N@H+](C[C@]1(C)CC[NH2+]C1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000262013569 149001021 /nfs/dbraw/zinc/00/10/21/149001021.db2.gz MMMNQQGOZMUHGS-GDBMZVCRSA-N 2 0 289.427 1.377 10 0 CDAERP O=C(NCC[C@@H]1CCC[NH2+]C1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262408813 149059691 /nfs/dbraw/zinc/05/96/91/149059691.db2.gz COXOLKIDXRMPJA-XQLPTFJDSA-N 2 0 279.428 1.413 10 0 CDAERP CC(C)(C)c1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000263222642 149123882 /nfs/dbraw/zinc/12/38/82/149123882.db2.gz MEYPAIAKRYBPKU-HIFRSBDPSA-N 2 0 262.397 1.654 10 0 CDAERP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1cccc(F)c1 ZINC000314425251 149253865 /nfs/dbraw/zinc/25/38/65/149253865.db2.gz AXONGSALQYINTO-BETUJISGSA-N 2 0 291.370 1.696 10 0 CDAERP O[C@H]1CCC[N@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000335148272 150339161 /nfs/dbraw/zinc/33/91/61/150339161.db2.gz NYGKNOPDQUYNPN-LBPRGKRZSA-N 2 0 263.366 1.891 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N1CCC[N@H+](C)CC1 ZINC000336167055 151328228 /nfs/dbraw/zinc/32/82/28/151328228.db2.gz AIUNKLVAJWTBKE-GJZGRUSLSA-N 2 0 296.459 1.596 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]CCO[C@@H]2CC2(F)F)[C@@H](C)C1 ZINC000658167148 413258977 /nfs/dbraw/zinc/25/89/77/413258977.db2.gz DMZSWOCQYNNNJV-SDDRHHMPSA-N 2 0 262.344 1.731 10 0 CDAERP C[C@H](C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)[NH+]1CCCCCC1 ZINC000186662779 289366211 /nfs/dbraw/zinc/36/62/11/289366211.db2.gz LDESYZPGJVVCHV-MGPQQGTHSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@H]1C[C@@H](C[N@H+](C)CCCN2CC[NH+](C)CC2)CCO1 ZINC000349331299 154091768 /nfs/dbraw/zinc/09/17/68/154091768.db2.gz LFYKJUUYVYZWGN-HOTGVXAUSA-N 2 0 283.460 1.371 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CCOC2)[C@@H]2CCC[C@H]21 ZINC000353693099 156018104 /nfs/dbraw/zinc/01/81/04/156018104.db2.gz WUHCODIJACNZNJ-CBBWQLFWSA-N 2 0 252.402 1.875 10 0 CDAERP C[NH+](C)Cc1cccc(C(=O)NCCNc2cc[nH+]cc2)c1 ZINC000355808571 157247006 /nfs/dbraw/zinc/24/70/06/157247006.db2.gz IYPIFDBSQUONKC-UHFFFAOYSA-N 2 0 298.390 1.407 10 0 CDAERP C[NH+](C)Cc1ccccc1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000362762269 159232236 /nfs/dbraw/zinc/23/22/36/159232236.db2.gz HFOULIJCTWIJFG-AWEZNQCLSA-N 2 0 275.396 1.572 10 0 CDAERP [NH3+]C1(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)CC2(CCC2)C1 ZINC000662761983 413451506 /nfs/dbraw/zinc/45/15/06/413451506.db2.gz REUVHJXRFSIUHT-UONOGXRCSA-N 2 0 291.439 1.639 10 0 CDAERP CC[C@@H](C(=O)N(C)[C@H]1CC[N@H+](CC=C(C)C)C1)[NH+](C)C ZINC001665675599 1173035177 /nfs/dbraw/zinc/03/51/77/1173035177.db2.gz AEQVBKWQTQJZTP-GJZGRUSLSA-N 2 0 281.444 1.826 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(C[NH3+])c1 ZINC000022154042 171361410 /nfs/dbraw/zinc/36/14/10/171361410.db2.gz XPVLHUCIFKOOBY-GFCCVEGCSA-N 2 0 261.369 1.958 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)CC[NH2+]C(C)C ZINC000653210660 412140411 /nfs/dbraw/zinc/14/04/11/412140411.db2.gz FEMZPUHFUOVUPA-UHFFFAOYSA-N 2 0 263.385 1.410 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH3+])CC1 ZINC000653220594 412146900 /nfs/dbraw/zinc/14/69/00/412146900.db2.gz OLCPNRLBXMRJHQ-LBPRGKRZSA-N 2 0 253.390 1.106 10 0 CDAERP CC[C@@H]([NH2+]C)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000662821266 413546036 /nfs/dbraw/zinc/54/60/36/413546036.db2.gz DLTVTRXCSWRRCP-KGLIPLIRSA-N 2 0 261.369 1.069 10 0 CDAERP CC(C)[NH2+]C1CCN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000654659698 413548469 /nfs/dbraw/zinc/54/84/69/413548469.db2.gz JADVZXXATXIWOO-OTVXOJSOSA-N 2 0 296.459 1.499 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC[N@@H+]1C ZINC000654659346 413551590 /nfs/dbraw/zinc/55/15/90/413551590.db2.gz ATYLMKVHGRKBPD-KBXIAJHMSA-N 2 0 296.459 1.451 10 0 CDAERP CN(CC[NH+]1CCCCC1)C(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662834237 413566550 /nfs/dbraw/zinc/56/65/50/413566550.db2.gz TWSXGTRAWMBRIN-UHFFFAOYSA-N 2 0 294.399 1.426 10 0 CDAERP COC(=O)C[C@H](C)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000035748106 172395531 /nfs/dbraw/zinc/39/55/31/172395531.db2.gz CRFVUQGDFUQWEN-QWHCGFSZSA-N 2 0 256.390 1.792 10 0 CDAERP CN(CC(C)(C)[NH3+])C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000662844088 413594936 /nfs/dbraw/zinc/59/49/36/413594936.db2.gz YIJZBSLWIJBLRO-WOPDTQHZSA-N 2 0 253.390 1.103 10 0 CDAERP [NH3+]C1(CC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC1 ZINC000662867574 413628877 /nfs/dbraw/zinc/62/88/77/413628877.db2.gz CPAFFWMIXHPFNU-ZIAGYGMSSA-N 2 0 291.370 1.269 10 0 CDAERP C[NH+](C)C1(CNC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CCC1 ZINC000661048021 413744266 /nfs/dbraw/zinc/74/42/66/413744266.db2.gz CBQBIQCJAAPXBA-ZDUSSCGKSA-N 2 0 296.459 1.643 10 0 CDAERP C[NH+](C)CCC[C@H]1CN(C(=O)C2(C[NH3+])CCCC2)CCO1 ZINC000662974025 413763298 /nfs/dbraw/zinc/76/32/98/413763298.db2.gz YUIVBLMNWPBKMV-AWEZNQCLSA-N 2 0 297.443 1.075 10 0 CDAERP C[C@H]([NH3+])c1ccc(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc1 ZINC000659387572 413775071 /nfs/dbraw/zinc/77/50/71/413775071.db2.gz WTNPAIDZSUIEFG-ZWKOPEQDSA-N 2 0 265.332 1.218 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000422856819 287271441 /nfs/dbraw/zinc/27/14/41/287271441.db2.gz GRIORIACLPYUNA-QLFBSQMISA-N 2 0 253.434 1.968 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000659459637 413847199 /nfs/dbraw/zinc/84/71/99/413847199.db2.gz ZWZAJHBGEKKKSJ-ZIAGYGMSSA-N 2 0 282.432 1.143 10 0 CDAERP O=C(NCC[NH+]1CCCCCC1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407360490 413942714 /nfs/dbraw/zinc/94/27/14/413942714.db2.gz HFNXAOXDWVTXPV-LSDHHAIUSA-N 2 0 279.428 1.509 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000659543543 413949157 /nfs/dbraw/zinc/94/91/57/413949157.db2.gz QUFQFLMBJNZCPM-JHJVBQTASA-N 2 0 282.432 1.156 10 0 CDAERP CC[NH+](CC)CCC[NH2+][C@H](CO)[C@H]1CCC[C@@H](OC)C1 ZINC000661213785 413892932 /nfs/dbraw/zinc/89/29/32/413892932.db2.gz DFFOWRAXURSFJA-ARFHVFGLSA-N 2 0 286.460 1.874 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1c(C2CCC2)cnn1C ZINC000665274682 414009668 /nfs/dbraw/zinc/00/96/68/414009668.db2.gz VYNNSMMXWMGMFS-CYBMUJFWSA-N 2 0 280.416 1.531 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCc1noc2ccccc12 ZINC000665232722 413959152 /nfs/dbraw/zinc/95/91/52/413959152.db2.gz SDWWWEVCNYSUEE-LBPRGKRZSA-N 2 0 277.368 1.714 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000655044658 413960207 /nfs/dbraw/zinc/96/02/07/413960207.db2.gz PYTVRWOMIVPGSX-NFOMZHRRSA-N 2 0 279.428 1.461 10 0 CDAERP COC[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)C1CCOCC1 ZINC000665236105 413963524 /nfs/dbraw/zinc/96/35/24/413963524.db2.gz HMGOOTBTXNOILN-IHRRRGAJSA-N 2 0 256.390 1.288 10 0 CDAERP C[C@H](COc1c(F)cccc1F)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000665261394 413990422 /nfs/dbraw/zinc/99/04/22/413990422.db2.gz BBELUGXXMDAMOQ-ZJUUUORDSA-N 2 0 270.323 1.930 10 0 CDAERP COc1ccnc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1F ZINC000665267390 414002314 /nfs/dbraw/zinc/00/23/14/414002314.db2.gz VTJMZLOGRDEGPO-QJPTWQEYSA-N 2 0 279.359 1.707 10 0 CDAERP CCN(CCC[NH+]1CCCC1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659614450 414023922 /nfs/dbraw/zinc/02/39/22/414023922.db2.gz JGBDFJDIZMQXIQ-UHFFFAOYSA-N 2 0 294.443 1.256 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000659621494 414031549 /nfs/dbraw/zinc/03/15/49/414031549.db2.gz GAJSBRNPEPLBNV-MGPQQGTHSA-N 2 0 284.448 1.341 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000659621492 414032378 /nfs/dbraw/zinc/03/23/78/414032378.db2.gz GAJSBRNPEPLBNV-MCIONIFRSA-N 2 0 284.448 1.341 10 0 CDAERP C[C@@H](CCC(C)(C)C)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665292913 414035712 /nfs/dbraw/zinc/03/57/12/414035712.db2.gz LXMZZPZDSYGRFG-JTQLQIEISA-N 2 0 266.389 1.945 10 0 CDAERP CC(C)C(=O)NCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657289751 414119300 /nfs/dbraw/zinc/11/93/00/414119300.db2.gz RMOKWMSVAAYHCS-UHFFFAOYSA-N 2 0 287.367 1.129 10 0 CDAERP CC(C)C[N@H+](C)CCCNC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655792763 414177046 /nfs/dbraw/zinc/17/70/46/414177046.db2.gz OWZSTCBKJLFVJE-QGZVFWFLSA-N 2 0 297.487 1.807 10 0 CDAERP COCC1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000655815985 414218768 /nfs/dbraw/zinc/21/87/68/414218768.db2.gz MALCSNMKSJOFRC-MGPQQGTHSA-N 2 0 252.402 1.875 10 0 CDAERP c1cc(C[NH2+][C@@H]2CCSC2)n(-c2cc[nH+]cc2)n1 ZINC000657378535 414255597 /nfs/dbraw/zinc/25/55/97/414255597.db2.gz LPMDRNNIUXUNBG-LLVKDONJSA-N 2 0 260.366 1.862 10 0 CDAERP [NH3+]CC[C@H](NCc1nc2c(s1)C[NH2+]CC2)C(F)(F)F ZINC000663496991 414293853 /nfs/dbraw/zinc/29/38/53/414293853.db2.gz KHEPCKSSRHRGCZ-VIFPVBQESA-N 2 0 294.346 1.158 10 0 CDAERP COc1cc(C[NH2+]CCCC[NH3+])cc2c1OCCO2 ZINC000037715586 173634441 /nfs/dbraw/zinc/63/44/41/173634441.db2.gz UBZTVAOFYCLFEG-UHFFFAOYSA-N 2 0 266.341 1.295 10 0 CDAERP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cn(C3CCC3)nn2)C1 ZINC000657491920 414389089 /nfs/dbraw/zinc/38/90/89/414389089.db2.gz NFXOKNCKSPMCNA-CYBMUJFWSA-N 2 0 277.416 1.825 10 0 CDAERP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662263870 414600869 /nfs/dbraw/zinc/60/08/69/414600869.db2.gz PAMXWTVUHNAJRN-QLFBSQMISA-N 2 0 279.428 1.066 10 0 CDAERP COC[C@H](C[N@H+](CCC[NH3+])Cc1ccccc1)OC ZINC000662273076 414604080 /nfs/dbraw/zinc/60/40/80/414604080.db2.gz SDAYGCFONIGLOU-HNNXBMFYSA-N 2 0 266.385 1.499 10 0 CDAERP COCC[NH2+]C1CC[NH+](C[C@H](OC)C2CCCC2)CC1 ZINC000662283550 414613392 /nfs/dbraw/zinc/61/33/92/414613392.db2.gz AFRXHIMBHDQSAC-INIZCTEOSA-N 2 0 284.444 1.892 10 0 CDAERP CCCN(C)CC(C)(C)[NH2+]CC[C@@H]1CCNC1=O ZINC000662179353 414556540 /nfs/dbraw/zinc/55/65/40/414556540.db2.gz JPBLVQPQSDOOPA-LBPRGKRZSA-N 2 0 255.406 1.223 10 0 CDAERP C[N@H+](CCC[NH3+])CCc1ccc2c(c1)OC(F)(F)O2 ZINC000662246292 414582669 /nfs/dbraw/zinc/58/26/69/414582669.db2.gz QRNRHKGLQCQMBB-UHFFFAOYSA-N 2 0 272.295 1.831 10 0 CDAERP CO[C@@H](C[N@H+](C)CCN1CC[NH2+]CC1)C1CCCC1 ZINC000662244750 414582897 /nfs/dbraw/zinc/58/28/97/414582897.db2.gz GXEOSIGPXDNUDX-HNNXBMFYSA-N 2 0 269.433 1.029 10 0 CDAERP CC[C@H](C(C)C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508188 174303488 /nfs/dbraw/zinc/30/34/88/174303488.db2.gz GABCFQSYBUHOTB-ZIAGYGMSSA-N 2 0 267.417 1.317 10 0 CDAERP C[NH+](C)CCCN[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000040671211 174369046 /nfs/dbraw/zinc/36/90/46/174369046.db2.gz HEHJMIFVDAMVFX-QGZVFWFLSA-N 2 0 275.440 1.845 10 0 CDAERP C[N@H+](C1CCC2(CC1)OCCO2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746571 174391374 /nfs/dbraw/zinc/39/13/74/174391374.db2.gz QSCWEIZJMOCRJF-NNQSOWQGSA-N 2 0 280.412 1.887 10 0 CDAERP C[C@@H]1CCCC[C@@H]1[N@H+](C)CCC(=O)N(C)CCC[NH3+] ZINC000042602307 174817817 /nfs/dbraw/zinc/81/78/17/174817817.db2.gz BLQHIBIHSSUDEZ-KGLIPLIRSA-N 2 0 269.433 1.694 10 0 CDAERP CC[C@@H]([NH3+])[C@@H](c1ccccn1)N1CC[NH+](C(C)C)CC1 ZINC000043339418 175013580 /nfs/dbraw/zinc/01/35/80/175013580.db2.gz FMTZUFHVIGOBLN-ZBFHGGJFSA-N 2 0 276.428 1.886 10 0 CDAERP CC[C@H]([NH3+])[C@@H](c1cccnc1)N1CC[NH+](C(C)C)CC1 ZINC000043346786 175017399 /nfs/dbraw/zinc/01/73/99/175017399.db2.gz UZMYMXLLMJNOIN-JKSUJKDBSA-N 2 0 276.428 1.886 10 0 CDAERP C[NH+]1CCC(Oc2nc3c(cc2C(N)=[NH2+])CCC3)CC1 ZINC000043407177 175037296 /nfs/dbraw/zinc/03/72/96/175037296.db2.gz BEMUVBQLAXXEGD-UHFFFAOYSA-N 2 0 274.368 1.327 10 0 CDAERP O=C(CC[C@H]1CCC[NH2+]C1)N1CCC([NH+]2CCCC2)CC1 ZINC000043590536 175073383 /nfs/dbraw/zinc/07/33/83/175073383.db2.gz VDZHTVFFRDYOII-OAHLLOKOSA-N 2 0 293.455 1.853 10 0 CDAERP CC(C)[C@H](CNC(=O)CC[C@H]1CCC[NH2+]C1)[NH+](C)C ZINC000043591066 175073960 /nfs/dbraw/zinc/07/39/60/175073960.db2.gz KDBFFYKCOVMGMZ-KGLIPLIRSA-N 2 0 269.433 1.469 10 0 CDAERP CCC[C@@H]1CC[C@H]([NH2+]C)[C@H](N2CC[NH+](C)CC2)C1 ZINC000043810649 175109435 /nfs/dbraw/zinc/10/94/35/175109435.db2.gz NNMKDJIOHTWTLK-QLFBSQMISA-N 2 0 253.434 1.791 10 0 CDAERP CC[NH2+][C@H](CN1CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000043810766 175110099 /nfs/dbraw/zinc/11/00/99/175110099.db2.gz UBVGPLNNMCKUIB-MRXNPFEDSA-N 2 0 277.412 1.593 10 0 CDAERP C[NH2+][C@H]1CCCCC[C@@H]1N1CC[NH+](C2CC2)CC1 ZINC000043967522 175128347 /nfs/dbraw/zinc/12/83/47/175128347.db2.gz QZAIINDKPMTHFE-GJZGRUSLSA-N 2 0 251.418 1.687 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000044426702 175175466 /nfs/dbraw/zinc/17/54/66/175175466.db2.gz RFKFLLUECQTMSH-INIZCTEOSA-N 2 0 289.423 1.722 10 0 CDAERP [NH3+]CC1CC[NH+](Cc2nnc(-c3ccccc3)o2)CC1 ZINC000044513321 175189017 /nfs/dbraw/zinc/18/90/17/175189017.db2.gz UNRHZLXQMDGUHD-UHFFFAOYSA-N 2 0 272.352 1.907 10 0 CDAERP C[C@H]([NH2+]CC1CC[NH+](C)CC1)C(=O)N1CCCCCC1 ZINC000044518323 175190758 /nfs/dbraw/zinc/19/07/58/175190758.db2.gz WZLROLZZDNSFGT-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP C[NH+]1CCC(C[NH2+]CC(=O)Nc2ccccc2F)CC1 ZINC000044518390 175191147 /nfs/dbraw/zinc/19/11/47/175191147.db2.gz JDYQHUZSZAJRQF-UHFFFAOYSA-N 2 0 279.359 1.696 10 0 CDAERP CCC[NH2+]C1CCN([C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000044725405 175237971 /nfs/dbraw/zinc/23/79/71/175237971.db2.gz SMMLFUUPRPXJTO-OAHLLOKOSA-N 2 0 251.418 1.687 10 0 CDAERP CN(C(=O)C1(C[NH3+])CCCCC1)C1CC[NH+](C)CC1 ZINC000044753074 175245596 /nfs/dbraw/zinc/24/55/96/175245596.db2.gz OGWCXCXDSQCVDC-UHFFFAOYSA-N 2 0 267.417 1.448 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH3+])CCCCC2)C1 ZINC000044763175 175247068 /nfs/dbraw/zinc/24/70/68/175247068.db2.gz JMXBCXBQYJOQBL-GFCCVEGCSA-N 2 0 253.390 1.106 10 0 CDAERP CCC[C@@H](C[NH3+])C(=O)NCC[NH+](C(C)C)C(C)C ZINC000044797455 175254722 /nfs/dbraw/zinc/25/47/22/175254722.db2.gz BKEXNAXZDMEKOC-ZDUSSCGKSA-N 2 0 257.422 1.596 10 0 CDAERP CC(C)COC[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000045134774 175312908 /nfs/dbraw/zinc/31/29/08/175312908.db2.gz AELWPOLNLAUCOK-LSDHHAIUSA-N 2 0 272.433 1.340 10 0 CDAERP CC[NH2+][C@@](C)(CCCC[NH+]1CCCCCC1)C(N)=O ZINC000045377459 175367012 /nfs/dbraw/zinc/36/70/12/175367012.db2.gz SJRMEISYNWXAKV-HNNXBMFYSA-N 2 0 269.433 1.886 10 0 CDAERP CCC[NH2+][C@@](C)(CCC[N@H+](CC)C(C)C)C(N)=O ZINC000045383870 175371182 /nfs/dbraw/zinc/37/11/82/175371182.db2.gz FFHZPOMWBCWQIU-AWEZNQCLSA-N 2 0 257.422 1.741 10 0 CDAERP CCC[NH2+][C@](C)(CCCC[NH+]1CCC(OC)CC1)C(N)=O ZINC000045389047 175373685 /nfs/dbraw/zinc/37/36/85/175373685.db2.gz SBDNXIOIIGYHBT-MRXNPFEDSA-N 2 0 299.459 1.511 10 0 CDAERP CCCCC[N@H+](C)CCCC[C@@](C)([NH2+]C)C(N)=O ZINC000045387971 175374036 /nfs/dbraw/zinc/37/40/36/175374036.db2.gz WFGBXKMICTTXBB-CQSZACIVSA-N 2 0 257.422 1.742 10 0 CDAERP CC(C)[NH2+][C@](C)(CCC[N@H+](C)[C@@H](C)C1CC1)C(N)=O ZINC000045393075 175375561 /nfs/dbraw/zinc/37/55/61/175375561.db2.gz HIOFEWMEKWGSRK-SWLSCSKDSA-N 2 0 269.433 1.739 10 0 CDAERP CCOC1CC[NH+](CCC[C@@](C)([NH2+]C2CC2)C(N)=O)CC1 ZINC000045420156 175378648 /nfs/dbraw/zinc/37/86/48/175378648.db2.gz CYHJBRJYVXMTNR-MRXNPFEDSA-N 2 0 297.443 1.264 10 0 CDAERP C[C@@H](O)C[NH+]1CCC(C[NH2+]CCc2ccccc2)CC1 ZINC000069923283 175862447 /nfs/dbraw/zinc/86/24/47/175862447.db2.gz QECDCHJHKMWJPA-OAHLLOKOSA-N 2 0 276.424 1.912 10 0 CDAERP [NH3+][C@H]1CCC[C@@H](C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000070574165 175989424 /nfs/dbraw/zinc/98/94/24/175989424.db2.gz CSGMROAWMCHVLX-KGLIPLIRSA-N 2 0 267.417 1.496 10 0 CDAERP CC[NH2+][C@@H]1CCCN(C[C@H](C)C[NH+]2CCCC2)C1=O ZINC000071031247 176022576 /nfs/dbraw/zinc/02/25/76/176022576.db2.gz XBUWLYLZKFHUNX-ZIAGYGMSSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)N1CC[C@H]([NH2+]C(C)C)C1=O ZINC000071031968 176023257 /nfs/dbraw/zinc/02/32/57/176023257.db2.gz HXMKIWFYNDTOHZ-KBPBESRZSA-N 2 0 269.433 1.562 10 0 CDAERP CC[NH2+][C@H]1CCCN([C@@H](C)C[NH+](CC)CC)C1=O ZINC000071034743 176024667 /nfs/dbraw/zinc/02/46/67/176024667.db2.gz QCCJBXNZFKXADM-STQMWFEESA-N 2 0 255.406 1.317 10 0 CDAERP CCC[NH2+][C@@H](C)C1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000071182594 176057522 /nfs/dbraw/zinc/05/75/22/176057522.db2.gz JGWJWWDKHVURFL-JSGCOSHPSA-N 2 0 267.417 1.317 10 0 CDAERP C[NH2+]Cc1c(N(C)C[C@@H]2CC[N@H+](C)C2)nc2sccn12 ZINC000071190077 176065461 /nfs/dbraw/zinc/06/54/61/176065461.db2.gz PGEHBOHFMSXNDG-LLVKDONJSA-N 2 0 293.440 1.503 10 0 CDAERP Cc1cc(C)c(CO)c(N(C)C[C@H]2CC[N@H+](C)C2)[nH+]1 ZINC000071190286 176066499 /nfs/dbraw/zinc/06/64/99/176066499.db2.gz KMJMSBWPIQNHRF-ZDUSSCGKSA-N 2 0 263.385 1.579 10 0 CDAERP Cc1oc(C[NH3+])cc1CN(C)C[C@H]1CC[N@H+](C)C1 ZINC000071191811 176072121 /nfs/dbraw/zinc/07/21/21/176072121.db2.gz SFXBYIOEXMMBMF-LBPRGKRZSA-N 2 0 251.374 1.430 10 0 CDAERP C[NH2+]C[C@H](c1ccccc1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192095 176073446 /nfs/dbraw/zinc/07/34/46/176073446.db2.gz VEIZRMUGSVEEFO-GDBMZVCRSA-N 2 0 261.413 1.831 10 0 CDAERP C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(F)cc1C[NH3+] ZINC000071263448 176096773 /nfs/dbraw/zinc/09/67/73/176096773.db2.gz TYHRHUCNSIHCCH-CMPLNLGQSA-N 2 0 279.359 1.370 10 0 CDAERP CCC[NH+]1CCC([C@@H](C)[NH2+]C[C@H](O)C2CC2)CC1 ZINC000071300891 176113402 /nfs/dbraw/zinc/11/34/02/176113402.db2.gz BCMVXZVBIKGJFY-DOMZBBRYSA-N 2 0 254.418 1.857 10 0 CDAERP C[C@@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000071380154 176144436 /nfs/dbraw/zinc/14/44/36/176144436.db2.gz ZBWQCXOMVBNSIB-VHDGCEQUSA-N 2 0 281.444 1.741 10 0 CDAERP CC(C)(O)C[NH+]1CCN([C@@H](C[NH3+])c2cccc(F)c2)CC1 ZINC000071380109 176144583 /nfs/dbraw/zinc/14/45/83/176144583.db2.gz JWVHFVXBLDYHBW-HNNXBMFYSA-N 2 0 295.402 1.214 10 0 CDAERP C[N@H+](CCC[C@H]([NH3+])c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000071401735 176153987 /nfs/dbraw/zinc/15/39/87/176153987.db2.gz LNPVQHGUEUNSME-CABCVRRESA-N 2 0 296.436 1.586 10 0 CDAERP CC[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]C(C)C ZINC001665845103 1173073459 /nfs/dbraw/zinc/07/34/59/1173073459.db2.gz XEDYQDGODJQFOJ-QWHCGFSZSA-N 2 0 255.406 1.221 10 0 CDAERP CCn1nncc1C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000417944014 227327197 /nfs/dbraw/zinc/32/71/97/227327197.db2.gz DATLXWAEYBKBMV-UHFFFAOYSA-N 2 0 265.405 1.508 10 0 CDAERP CN(C)C(=O)CCC[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC000067983572 260254327 /nfs/dbraw/zinc/25/43/27/260254327.db2.gz UHBKJOVVTSHDES-UHFFFAOYSA-N 2 0 281.444 1.757 10 0 CDAERP COC[C@H](C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)OC ZINC000662263549 423802974 /nfs/dbraw/zinc/80/29/74/423802974.db2.gz CIINFNKBIMOUAP-IHRRRGAJSA-N 2 0 256.390 1.112 10 0 CDAERP FC1(F)C[C@H]1OCC[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000662273626 423835236 /nfs/dbraw/zinc/83/52/36/423835236.db2.gz PVUGKGCTIBMQFK-CHWSQXEVSA-N 2 0 274.355 1.732 10 0 CDAERP CC[NH2+][C@H](C)CNC(=O)NCc1ccccc1C[NH2+]C ZINC000652218028 424077998 /nfs/dbraw/zinc/07/79/98/424077998.db2.gz TVIMMURSTKQMLD-GFCCVEGCSA-N 2 0 278.400 1.203 10 0 CDAERP CC[NH2+]CCCNC(=O)NCc1ccccc1C[NH2+]C ZINC000652200855 424051326 /nfs/dbraw/zinc/05/13/26/424051326.db2.gz MPKWUWYSHAYFKR-UHFFFAOYSA-N 2 0 278.400 1.205 10 0 CDAERP CN(CCC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)c1cc[nH+]cc1 ZINC000655245126 424052684 /nfs/dbraw/zinc/05/26/84/424052684.db2.gz BBUOWBBOFNATDD-OTVXOJSOSA-N 2 0 290.411 1.364 10 0 CDAERP CN(C(=O)NCC1([NH3+])CCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000659578076 424284955 /nfs/dbraw/zinc/28/49/55/424284955.db2.gz QZVOGYYSKSODDL-FUNVUKJBSA-N 2 0 280.416 1.182 10 0 CDAERP CN(C(=O)[C@@H]1CCC[NH2+]CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000653117323 424299309 /nfs/dbraw/zinc/29/93/09/424299309.db2.gz IPAJBISSIDVALY-OCCSQVGLSA-N 2 0 265.401 1.071 10 0 CDAERP CCOCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652360972 424311674 /nfs/dbraw/zinc/31/16/74/424311674.db2.gz VLEJVDMVKJEIIE-MCIONIFRSA-N 2 0 256.390 1.384 10 0 CDAERP C[C@H]1CC[C@@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)CS1 ZINC000655686978 424385613 /nfs/dbraw/zinc/38/56/13/424385613.db2.gz GVPHAQZPFGQKKU-DZGCQCFKSA-N 2 0 285.501 1.886 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)[C@H]1CC[NH2+][C@@H]1CC ZINC000664719073 424326692 /nfs/dbraw/zinc/32/66/92/424326692.db2.gz MOUDITMNMPOXTB-QWHCGFSZSA-N 2 0 269.433 1.611 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)[C@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000655467855 424404032 /nfs/dbraw/zinc/40/40/32/424404032.db2.gz NYJNAUGVVVEXLG-BOXZVXIZSA-N 2 0 293.455 1.613 10 0 CDAERP C[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)CS1 ZINC000655716996 424495204 /nfs/dbraw/zinc/49/52/04/424495204.db2.gz RUTLQBBKTAELDZ-HZSPNIEDSA-N 2 0 299.484 1.448 10 0 CDAERP Cc1cc(C[NH+]2CCC(OCC[NH+](C)C)CC2)ccn1 ZINC000527531781 270694405 /nfs/dbraw/zinc/69/44/05/270694405.db2.gz BWWFMAUJWPUDBE-UHFFFAOYSA-N 2 0 277.412 1.933 10 0 CDAERP CCOCCC[N@H+](C)CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001667619574 1173298304 /nfs/dbraw/zinc/29/83/04/1173298304.db2.gz SEVIVTCQGQJCOD-UHFFFAOYSA-N 2 0 299.459 1.145 10 0 CDAERP CC(C)(C[NH2+][C@H]1CCCC[C@H]1C[NH3+])C(=O)N1CCCC1 ZINC000530220708 271161554 /nfs/dbraw/zinc/16/15/54/271161554.db2.gz CEHNWODTBDZDER-KBPBESRZSA-N 2 0 281.444 1.742 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H]1c2ccccc2C(=O)N1C ZINC000530225133 271167456 /nfs/dbraw/zinc/16/74/56/271167456.db2.gz OADDMCOZECQAKE-BYCMXARLSA-N 2 0 273.380 1.401 10 0 CDAERP O[C@H](CNC[C@H]1CC[N@@H+]1C1CCCC1)C[NH+]1CCCC1 ZINC000530241905 271178325 /nfs/dbraw/zinc/17/83/25/271178325.db2.gz FBZMYRVHEGDZRS-HZPDHXFCSA-N 2 0 281.444 1.050 10 0 CDAERP Cc1cnn(CC[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530241263 271179346 /nfs/dbraw/zinc/17/93/46/271179346.db2.gz PAJDXLKFRPBMTL-INIZCTEOSA-N 2 0 292.427 1.282 10 0 CDAERP COc1ccc(CC[NH2+][C@@H](C)C[C@@H]2CCC[NH2+]2)cn1 ZINC000530243353 271180133 /nfs/dbraw/zinc/18/01/33/271180133.db2.gz HQHHQYPMEFRRCF-JSGCOSHPSA-N 2 0 263.385 1.753 10 0 CDAERP c1cc([C@@H]2[NH2+]CCc3nc[nH]c32)n(-c2cc[nH+]cc2)c1 ZINC000067771465 275064741 /nfs/dbraw/zinc/06/47/41/275064741.db2.gz VJRWXBFVAKNAJZ-HNNXBMFYSA-N 2 0 265.320 1.831 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)C(C)C ZINC000358116758 276259364 /nfs/dbraw/zinc/25/93/64/276259364.db2.gz DOBMGPRYLWYYJC-ZIAGYGMSSA-N 2 0 269.433 1.706 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCCCC[C@H]2[NH3+])C1 ZINC000423093809 276288360 /nfs/dbraw/zinc/28/83/60/276288360.db2.gz IMNCQNKJYSFSAZ-XJFOESAGSA-N 2 0 268.401 1.968 10 0 CDAERP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)C12CCC2 ZINC000181560150 276345564 /nfs/dbraw/zinc/34/55/64/276345564.db2.gz QZZHVFOSSRPCCD-ARFHVFGLSA-N 2 0 296.455 1.771 10 0 CDAERP COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC1CC[NH2+]CC1 ZINC000262040351 277374949 /nfs/dbraw/zinc/37/49/49/277374949.db2.gz YFJJURSAVPUQOP-IHRRRGAJSA-N 2 0 266.385 1.260 10 0 CDAERP CC(C)[C@H](O)C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422987067 277925802 /nfs/dbraw/zinc/92/58/02/277925802.db2.gz FBWDNTLFWGWRKL-ZMSDIMECSA-N 2 0 290.407 1.849 10 0 CDAERP COc1ccc2c(c1)C[C@@H]([NH2+]CCCC[NH+](C)C)CO2 ZINC000297725589 277962135 /nfs/dbraw/zinc/96/21/35/277962135.db2.gz NJGDMBKAVIVBTC-CQSZACIVSA-N 2 0 278.396 1.930 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)CC[N@@H+]1C ZINC000374798711 278026734 /nfs/dbraw/zinc/02/67/34/278026734.db2.gz OSEYJEAWYGWBIN-KLHDSHLOSA-N 2 0 296.455 1.626 10 0 CDAERP CC(=O)[C@@](C)(O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000347759129 278233289 /nfs/dbraw/zinc/23/32/89/278233289.db2.gz RBRRVEKCMYIJSQ-HNNXBMFYSA-N 2 0 270.417 1.380 10 0 CDAERP CC[N@H+](CC(=O)NC[C@H]1CCC[NH+]1CC(C)C)C1CC1 ZINC000119485731 279055216 /nfs/dbraw/zinc/05/52/16/279055216.db2.gz OHFPUFDNAZZNFD-OAHLLOKOSA-N 2 0 281.444 1.707 10 0 CDAERP CC[NH+](CC)CCCNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247302392 279098593 /nfs/dbraw/zinc/09/85/93/279098593.db2.gz LLSMRDIGWDLQKT-CABCVRRESA-N 2 0 298.475 1.746 10 0 CDAERP CC[NH+](CC)[C@@H](C)CNC(=O)NCC[N@H+](C)C1CCCC1 ZINC000105124883 279143500 /nfs/dbraw/zinc/14/35/00/279143500.db2.gz BISUVEIJUIBWMT-AWEZNQCLSA-N 2 0 298.475 1.890 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415122069 279179036 /nfs/dbraw/zinc/17/90/36/279179036.db2.gz JKUFOTMCVUJGFG-JYJNAYRXSA-N 2 0 283.460 1.578 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCCN(c2cnn(C)c2)C1 ZINC000422776278 279255105 /nfs/dbraw/zinc/25/51/05/279255105.db2.gz CNQDORKMSKFUGH-KGLIPLIRSA-N 2 0 279.432 1.496 10 0 CDAERP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC(C)(C)C[C@H]2C)CC1 ZINC000412019541 279259208 /nfs/dbraw/zinc/25/92/08/279259208.db2.gz FRUUWWHMGKBMQR-CYBMUJFWSA-N 2 0 281.444 1.707 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261635404 279281763 /nfs/dbraw/zinc/28/17/63/279281763.db2.gz CFIBJRYSSZGWGT-HZSPNIEDSA-N 2 0 267.417 1.352 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000335285941 279320028 /nfs/dbraw/zinc/32/00/28/279320028.db2.gz VOEYKRRCPJAMGL-GOEBONIOSA-N 2 0 294.443 1.256 10 0 CDAERP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCC[NH+]1CCCC[C@H]1C ZINC000357041306 279367319 /nfs/dbraw/zinc/36/73/19/279367319.db2.gz CSWNBPFGNGWCNO-HUUCEWRRSA-N 2 0 298.475 1.889 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000334881483 279481126 /nfs/dbraw/zinc/48/11/26/279481126.db2.gz IRSMHUBBXYUKKT-JSGCOSHPSA-N 2 0 282.432 1.156 10 0 CDAERP CCN(CCNCc1ccon1)C(=O)C[N@H+](C)C1CCC1 ZINC001668452921 1173414695 /nfs/dbraw/zinc/41/46/95/1173414695.db2.gz HGAUPRZGBAQCFJ-UHFFFAOYSA-N 2 0 294.399 1.097 10 0 CDAERP NC(=O)[C@H](C[NH2+][C@H]1CCC[NH2+]CC1)Cc1ccc(F)cc1 ZINC000514847094 280852526 /nfs/dbraw/zinc/85/25/26/280852526.db2.gz DMTPNJVQQONWJT-ZFWWWQNUSA-N 2 0 293.386 1.201 10 0 CDAERP NC(=O)[C@@H](C[NH2+][C@H]1CCC[NH2+]CC1)Cc1ccc(F)cc1 ZINC000514847092 280852597 /nfs/dbraw/zinc/85/25/97/280852597.db2.gz DMTPNJVQQONWJT-HIFRSBDPSA-N 2 0 293.386 1.201 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261753944 281001197 /nfs/dbraw/zinc/00/11/97/281001197.db2.gz JEAIXEWPXSPEQY-UPJWGTAASA-N 2 0 267.417 1.256 10 0 CDAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262371105 281190702 /nfs/dbraw/zinc/19/07/02/281190702.db2.gz LYTLIOUBFOAWOI-ZQDZILKHSA-N 2 0 279.428 1.460 10 0 CDAERP CC1CC[NH+](CCN2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC000153924869 281813028 /nfs/dbraw/zinc/81/30/28/281813028.db2.gz UPRXCYMYMHNNNL-HNNXBMFYSA-N 2 0 253.434 1.602 10 0 CDAERP CN(C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)C1CC[NH+](C)CC1 ZINC000019478267 281839569 /nfs/dbraw/zinc/83/95/69/281839569.db2.gz SVLFBQQNJLNLKX-SNPRPXQTSA-N 2 0 279.428 1.460 10 0 CDAERP C[NH+](C)C1(CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)CCCCC1 ZINC000070577359 282042140 /nfs/dbraw/zinc/04/21/40/282042140.db2.gz NXLQYBAWWJFXPD-UONOGXRCSA-N 2 0 281.444 1.885 10 0 CDAERP C[NH+](C)C1(CN[C@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000417353693 289062246 /nfs/dbraw/zinc/06/22/46/289062246.db2.gz JNAAUMSIAYMLML-MELADBBJSA-N 2 0 251.418 1.543 10 0 CDAERP C[NH+](C)CCCC[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000094635750 289111790 /nfs/dbraw/zinc/11/17/90/289111790.db2.gz IKLPFBAKNGOGKQ-CHWSQXEVSA-N 2 0 276.446 1.274 10 0 CDAERP C[C@@]1(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC[NH2+]C1 ZINC000237570731 289139277 /nfs/dbraw/zinc/13/92/77/289139277.db2.gz DFEPGXXCKTWPJI-MRXNPFEDSA-N 2 0 279.428 1.509 10 0 CDAERP C[C@@]1([NH3+])CCCC[C@H]1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000263255280 289190201 /nfs/dbraw/zinc/19/02/01/289190201.db2.gz QKBZZRCIISJSKU-DOTOQJQBSA-N 2 0 293.455 1.981 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]C2CCN(C(N)=O)CC2)C1 ZINC000158648479 289314521 /nfs/dbraw/zinc/31/45/21/289314521.db2.gz YROSVHZJUDNHCH-OKILXGFUSA-N 2 0 296.459 1.487 10 0 CDAERP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc(S(N)(=O)=O)cc1 ZINC000093211591 290011760 /nfs/dbraw/zinc/01/17/60/290011760.db2.gz RURSQWULQAFBKR-WCFLWFBJSA-N 2 0 297.424 1.255 10 0 CDAERP C[C@H](N[C@H](C[NH+](C)C)c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400713190 290035551 /nfs/dbraw/zinc/03/55/51/290035551.db2.gz MTJBEDFPYVXCOU-CWRNSKLLSA-N 2 0 261.413 1.877 10 0 CDAERP Cc1cc(CC[NH2+]C2CC[NH+](CC3CC3)CC2)on1 ZINC000552098994 290049342 /nfs/dbraw/zinc/04/93/42/290049342.db2.gz VOXVOWXDRALRLB-UHFFFAOYSA-N 2 0 263.385 1.990 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)N2CCOCC2)[C@@H]2CCC[C@H]21 ZINC000367616173 290215499 /nfs/dbraw/zinc/21/54/99/290215499.db2.gz LJOWJOSYWKGGSA-HRCADAONSA-N 2 0 295.471 1.560 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000557182890 290333879 /nfs/dbraw/zinc/33/38/79/290333879.db2.gz RNEQNNZDTRUXOQ-NFAWXSAZSA-N 2 0 294.443 1.158 10 0 CDAERP CCC[C@H](C(=O)NC1CCC(C[NH+](C)C)CC1)[NH+](C)C ZINC000164763313 292853616 /nfs/dbraw/zinc/85/36/16/292853616.db2.gz ONXNBLRKBXYPMJ-YMAMQOFZSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000561199287 293062331 /nfs/dbraw/zinc/06/23/31/293062331.db2.gz YKIMPHOVMIXJLM-MCIONIFRSA-N 2 0 296.459 1.404 10 0 CDAERP COC[C@](C)(CCO)[NH2+]C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420313323 293251593 /nfs/dbraw/zinc/25/15/93/293251593.db2.gz XYLFBZJEIBGZHC-HOCLYGCPSA-N 2 0 296.411 1.115 10 0 CDAERP CC(C)COC[C@H](O)C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000567687524 293839562 /nfs/dbraw/zinc/83/95/62/293839562.db2.gz QQNQATFXVOXOOY-UYSNPLJNSA-N 2 0 286.460 1.730 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)CC[NH2+]C2CC2)cc1 ZINC000568235385 293993743 /nfs/dbraw/zinc/99/37/43/293993743.db2.gz NJCUYASPWCBDML-LLVKDONJSA-N 2 0 261.369 1.465 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)CCCC[NH3+])[C@H](C)C1 ZINC000570400489 294232059 /nfs/dbraw/zinc/23/20/59/294232059.db2.gz ZNTPRCGUEANPMT-OLZOCXBDSA-N 2 0 255.406 1.304 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2C[NH3+])[C@@H]1n1cccn1 ZINC000570562051 294261396 /nfs/dbraw/zinc/26/13/96/294261396.db2.gz KCWMGOMIIPANMX-NPJQDHAYSA-N 2 0 292.427 1.709 10 0 CDAERP Cn1cncc1CCC[N@@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000570939224 294337911 /nfs/dbraw/zinc/33/79/11/294337911.db2.gz FTLHOBKANJRGPX-DZGCQCFKSA-N 2 0 290.411 1.343 10 0 CDAERP C[C@@H]1C[C@@H](C[N@@H+]2CCc3ccccc3[C@@H]2CN)CC[NH2+]1 ZINC000574916700 295076701 /nfs/dbraw/zinc/07/67/01/295076701.db2.gz BUQRUJZNDYNOML-KEYYUXOJSA-N 2 0 273.424 1.933 10 0 CDAERP COc1ccc([C@@H](NC2CC[NH2+]CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423178408 295215343 /nfs/dbraw/zinc/21/53/43/295215343.db2.gz FWLIBGVRDVSASP-DLBZAZTESA-N 2 0 289.423 1.830 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000089462251 295271612 /nfs/dbraw/zinc/27/16/12/295271612.db2.gz QMEMCBLPBCXWNM-QLFBSQMISA-N 2 0 279.428 1.448 10 0 CDAERP [NH3+][C@H]1CCC[C@H]1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000261805436 295339143 /nfs/dbraw/zinc/33/91/43/295339143.db2.gz WHMYIAXHXGHALI-NEPJUHHUSA-N 2 0 277.343 1.537 10 0 CDAERP C[C@H](C[NH2+]CCC(F)(F)F)NC(=O)CCC[NH+](C)C ZINC001669384565 1173542910 /nfs/dbraw/zinc/54/29/10/1173542910.db2.gz JADPHZXBIYMMHO-SNVBAGLBSA-N 2 0 283.338 1.375 10 0 CDAERP [NH3+][C@@H]1C[C@@H](N[C@@H]2C[NH2+]CCC2(F)F)c2ccccc21 ZINC000423476653 303475461 /nfs/dbraw/zinc/47/54/61/303475461.db2.gz JFDIDXZEUBCAEM-JHJVBQTASA-N 2 0 267.323 1.718 10 0 CDAERP CCCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001669750465 1173593109 /nfs/dbraw/zinc/59/31/09/1173593109.db2.gz LARPGOGCHKSLHN-KBPBESRZSA-N 2 0 269.433 1.755 10 0 CDAERP CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001671564494 1173689864 /nfs/dbraw/zinc/68/98/64/1173689864.db2.gz QCDOKUICKMDLEI-HUUCEWRRSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000577077001 317262640 /nfs/dbraw/zinc/26/26/40/317262640.db2.gz MPQKBXOYSVALRT-KGLIPLIRSA-N 2 0 267.417 1.271 10 0 CDAERP CN(CCC[NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000577164625 317276083 /nfs/dbraw/zinc/27/60/83/317276083.db2.gz OVXROZQHRBWZIL-GJZGRUSLSA-N 2 0 290.411 1.422 10 0 CDAERP CC(C)[NH2+]CCC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000579829437 324292660 /nfs/dbraw/zinc/29/26/60/324292660.db2.gz JNEAMTJHFTYCLZ-STQMWFEESA-N 2 0 255.406 1.316 10 0 CDAERP C[C@H]([NH2+]Cc1ccc2c[nH+]cn2c1)C(C)(C)n1cncn1 ZINC000583552319 325196745 /nfs/dbraw/zinc/19/67/45/325196745.db2.gz UFUQSEIXWPRYPO-LBPRGKRZSA-N 2 0 284.367 1.839 10 0 CDAERP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccccc1-n1ccnn1 ZINC000584226277 327068771 /nfs/dbraw/zinc/06/87/71/327068771.db2.gz JJVYYKPXIKWAND-VNHYZAJKSA-N 2 0 285.395 1.916 10 0 CDAERP Cc1ccc(C[NH2+]CCN(C)C(=O)CC[NH+](C)C)c(C)c1 ZINC001731949157 1159399368 /nfs/dbraw/zinc/39/93/68/1159399368.db2.gz ABWGWNURTPAJDD-UHFFFAOYSA-N 2 0 291.439 1.803 10 0 CDAERP CO[C@H](C)C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)C(C)C ZINC001732015724 1159689411 /nfs/dbraw/zinc/68/94/11/1159689411.db2.gz WEJSHGGAOBRTOM-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP CCCC[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001270066710 1160087062 /nfs/dbraw/zinc/08/70/62/1160087062.db2.gz MXUVTTWASUAUTE-OAHLLOKOSA-N 2 0 281.444 1.851 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001270128361 1160091987 /nfs/dbraw/zinc/09/19/87/1160091987.db2.gz HJJGPYVHAIJEFR-HIFRSBDPSA-N 2 0 299.434 1.657 10 0 CDAERP C[C@@H](O)CCC[NH2+]C[C@H](C)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001270985152 1160234361 /nfs/dbraw/zinc/23/43/61/1160234361.db2.gz FSKRSUFACABQBA-UONOGXRCSA-N 2 0 299.459 1.068 10 0 CDAERP C[C@@H]1CCC[C@](CNC(=O)C[C@H]2CC[NH2+]C2)([NH+](C)C)C1 ZINC000247180724 482435845 /nfs/dbraw/zinc/43/58/45/482435845.db2.gz SAWUNLBFWIRLKR-FMKPAKJESA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)C[C@H](CNC(=O)C[C@H]([NH3+])C(C)C)[NH+](C)C ZINC000136430175 482204909 /nfs/dbraw/zinc/20/49/09/482204909.db2.gz IHYRUPNRQOURNP-OLZOCXBDSA-N 2 0 257.422 1.452 10 0 CDAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@H]1CCCC2(CC2)C1 ZINC000668302871 482362831 /nfs/dbraw/zinc/36/28/31/482362831.db2.gz SSFYSRUQHKFUOG-HNNXBMFYSA-N 2 0 295.471 1.909 10 0 CDAERP OCCCOC1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000682029310 482517099 /nfs/dbraw/zinc/51/70/99/482517099.db2.gz QAGKPIMUAMATOX-UHFFFAOYSA-N 2 0 284.444 1.726 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)N[C@H]2CCC[NH+](C)C2)C[N@@H+]1C1CC1 ZINC000674700547 482564470 /nfs/dbraw/zinc/56/44/70/482564470.db2.gz UYPFPQMUIJHKTN-AGIUHOORSA-N 2 0 280.416 1.005 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)N2CCC[C@H](C[NH3+])C2)CC1 ZINC000669540669 482624773 /nfs/dbraw/zinc/62/47/73/482624773.db2.gz AHNHVKPSDLSXNL-SHARSMKWSA-N 2 0 296.459 1.487 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)C1(N(C)C)CC1 ZINC000666428211 482702127 /nfs/dbraw/zinc/70/21/27/482702127.db2.gz KVPFOZKVTCPVIS-LBPRGKRZSA-N 2 0 253.390 1.071 10 0 CDAERP [NH3+]C[C@@H]1CCCN(C(=O)[C@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000238063518 482807420 /nfs/dbraw/zinc/80/74/20/482807420.db2.gz FGMACXYAMUTSCT-IHRRRGAJSA-N 2 0 267.417 1.481 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H]2CCC[N@H+](C)C2)cc1 ZINC000669402906 482886059 /nfs/dbraw/zinc/88/60/59/482886059.db2.gz ACOPFALBWVEWEH-WFASDCNBSA-N 2 0 290.411 1.600 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000669403028 482886431 /nfs/dbraw/zinc/88/64/31/482886431.db2.gz FQLJSPYFAQUJCX-AWEZNQCLSA-N 2 0 294.443 1.256 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCC[C@@H]([NH3+])C(C)C)C1 ZINC000659468342 482900757 /nfs/dbraw/zinc/90/07/57/482900757.db2.gz YNWQCAOFSGNOES-LSDHHAIUSA-N 2 0 298.475 1.637 10 0 CDAERP C(NC[C@H]1CC[NH2+]C1)c1nc2c(s1)CCCC2 ZINC000666845557 482947632 /nfs/dbraw/zinc/94/76/32/482947632.db2.gz OYIXBPQOBRPZIC-JTQLQIEISA-N 2 0 251.399 1.721 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1-n1cncn1 ZINC000666879587 482959607 /nfs/dbraw/zinc/95/96/07/482959607.db2.gz CECJCUAZCKXDPD-OCCSQVGLSA-N 2 0 271.368 1.355 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000449134231 483193693 /nfs/dbraw/zinc/19/36/93/483193693.db2.gz HQLGBAHYLFEYIV-HONMWMINSA-N 2 0 261.369 1.450 10 0 CDAERP CC(C)C[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)C(=O)NCC[NH+](C)C ZINC000669848947 483203016 /nfs/dbraw/zinc/20/30/16/483203016.db2.gz OEYIMDGIIUVECX-JJXSEGSLSA-N 2 0 295.471 1.857 10 0 CDAERP CC[C@@H](C(=O)N1CCC[C@](O)(C[NH+](C)C)C1)[NH+](CC)CC ZINC000684174923 483229821 /nfs/dbraw/zinc/22/98/21/483229821.db2.gz NYTJEEXSYQGNFO-HOCLYGCPSA-N 2 0 299.459 1.022 10 0 CDAERP O=C1NCCC[C@H]1[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000675951943 483385683 /nfs/dbraw/zinc/38/56/83/483385683.db2.gz LPWAPZPCFQUAMU-MRXNPFEDSA-N 2 0 293.455 1.853 10 0 CDAERP CC[C@@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@H]1O ZINC000667710803 483393684 /nfs/dbraw/zinc/39/36/84/483393684.db2.gz PCKLGCRLJOUXLK-IUODEOHRSA-N 2 0 272.352 1.470 10 0 CDAERP C[C@H](CO)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000680401344 483611255 /nfs/dbraw/zinc/61/12/55/483611255.db2.gz TXUYDKYOCRDZJK-IHRRRGAJSA-N 2 0 254.418 1.857 10 0 CDAERP CCOCC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C(C)C ZINC001732560716 1160715436 /nfs/dbraw/zinc/71/54/36/1160715436.db2.gz KEPQARGLMPLWCF-HUUCEWRRSA-N 2 0 299.459 1.238 10 0 CDAERP CC(C)[NH2+]CC1(C[N@@H+]2CCC[C@@H]2CO)CCOCC1 ZINC000052183314 519719839 /nfs/dbraw/zinc/71/98/39/519719839.db2.gz DLWDAKBBRLFBMW-CQSZACIVSA-N 2 0 270.417 1.238 10 0 CDAERP CC(C)[NH2+]Cc1ccc(CN2CCC[N@H+](C)CC2)o1 ZINC000052424195 519726540 /nfs/dbraw/zinc/72/65/40/519726540.db2.gz AGUCHYXUMHIUGF-UHFFFAOYSA-N 2 0 265.401 1.915 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000049227444 519814295 /nfs/dbraw/zinc/81/42/95/519814295.db2.gz CMFFUIPLDMITSA-AWEZNQCLSA-N 2 0 278.400 1.853 10 0 CDAERP CCC[NH2+]CC1(C[N@@H+]2CCC[C@H]2CO)CCOCC1 ZINC000052183311 519911382 /nfs/dbraw/zinc/91/13/82/519911382.db2.gz UCPOIAVSZGDHMK-AWEZNQCLSA-N 2 0 270.417 1.240 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000061265949 519960779 /nfs/dbraw/zinc/96/07/79/519960779.db2.gz PJRHYZQKRIPVLC-UONOGXRCSA-N 2 0 267.417 1.319 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000061267288 519961709 /nfs/dbraw/zinc/96/17/09/519961709.db2.gz YSZXWTAYDHEPHT-AWEZNQCLSA-N 2 0 269.433 1.470 10 0 CDAERP CCC[NH2+][C@@H](C)C1CC[NH+](C[C@H](O)COC)CC1 ZINC000069053286 519983746 /nfs/dbraw/zinc/98/37/46/519983746.db2.gz LRPRXIITHVQKOL-JSGCOSHPSA-N 2 0 258.406 1.094 10 0 CDAERP CCO[C@@H](C[NH3+])CC[N@H+](C)Cc1cccc(OC)c1 ZINC000062741011 520306338 /nfs/dbraw/zinc/30/63/38/520306338.db2.gz HONMDMRKBRTZTR-OAHLLOKOSA-N 2 0 266.385 1.881 10 0 CDAERP CCOC1CC[NH+](Cc2cc(C[NH2+]C)co2)CC1 ZINC000052484042 521655564 /nfs/dbraw/zinc/65/55/64/521655564.db2.gz ZTWNBIQMMZRERR-UHFFFAOYSA-N 2 0 252.358 2.000 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)CC[NH+](C)C)CCCC1 ZINC001714502743 1179174139 /nfs/dbraw/zinc/17/41/39/1179174139.db2.gz ZBVNNDDXAUTVJL-UHFFFAOYSA-N 2 0 269.433 1.757 10 0 CDAERP COCC[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@H]12 ZINC001410922473 1161962407 /nfs/dbraw/zinc/96/24/07/1161962407.db2.gz WORAEBUAPKXHBD-HOCLYGCPSA-N 2 0 297.443 1.086 10 0 CDAERP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CC1CCC1 ZINC001734341297 1183739449 /nfs/dbraw/zinc/73/94/49/1183739449.db2.gz NNNNKFUWXBBPRJ-GFCCVEGCSA-N 2 0 255.406 1.175 10 0 CDAERP CC[N@H+](C)CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C(C)C ZINC001734547922 1183820904 /nfs/dbraw/zinc/82/09/04/1183820904.db2.gz PUVRXAOMCVRTSL-ZIAGYGMSSA-N 2 0 269.433 1.515 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC[NH+]1CCCC[C@H]1C ZINC000067574461 519608282 /nfs/dbraw/zinc/60/82/82/519608282.db2.gz JHNWBWNIXCKHTD-CYBMUJFWSA-N 2 0 255.406 1.317 10 0 CDAERP CC(C)[NH+](CCNC(=O)[C@H]1CCC[C@@H](C[NH3+])C1)C(C)C ZINC000055146204 519647372 /nfs/dbraw/zinc/64/73/72/519647372.db2.gz DDHVXNDRIOFOKU-CABCVRRESA-N 2 0 283.460 1.987 10 0 CDAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CCCSCC2)CC1 ZINC000337313501 519680946 /nfs/dbraw/zinc/68/09/46/519680946.db2.gz GZSWCNCNNSRLJT-UHFFFAOYSA-N 2 0 285.501 1.841 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[C@@H](C)[C@@H]([NH3+])C2)C1 ZINC000055136569 519685399 /nfs/dbraw/zinc/68/53/99/519685399.db2.gz PNYSHYMKVFXTOG-BARDWOONSA-N 2 0 281.444 1.596 10 0 CDAERP CC(C)C[NH+]1CCN([C@@H]2C[C@@H](C)CC[C@@H]2[NH3+])CC1 ZINC000055079057 519728144 /nfs/dbraw/zinc/72/81/44/519728144.db2.gz QGDWOHMJCFUBAG-SOUVJXGZSA-N 2 0 253.434 1.776 10 0 CDAERP CC(C)C[NH2+]CC1(C[NH+]2CCC(CO)CC2)CCOCC1 ZINC000052180476 519742876 /nfs/dbraw/zinc/74/28/76/519742876.db2.gz QJNVIIHVNNUAHW-UHFFFAOYSA-N 2 0 298.471 1.733 10 0 CDAERP CC(C)C[NH2+]C[C@H](C)CN1CC[NH+](C2CC2)CC1 ZINC000052371283 519745900 /nfs/dbraw/zinc/74/59/00/519745900.db2.gz ZKGJAXAFOIROGW-AWEZNQCLSA-N 2 0 253.434 1.648 10 0 CDAERP CC(C)[C@H]1C[NH2+]C(C)(C)CN1C1CC[NH+](C)CC1 ZINC000062625129 519827191 /nfs/dbraw/zinc/82/71/91/519827191.db2.gz PPXSCBHJSCGODR-CQSZACIVSA-N 2 0 253.434 1.789 10 0 CDAERP CCC[NH+]1CCN(C(=O)[C@H]2C[C@H]([NH3+])CC[C@@H]2C)CC1 ZINC000055124576 519856455 /nfs/dbraw/zinc/85/64/55/519856455.db2.gz YQZUGQZUKFZLPF-MJBXVCDLSA-N 2 0 267.417 1.304 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@H](C[N@@H+]2CCCSCC2)O1 ZINC000052371145 519955812 /nfs/dbraw/zinc/95/58/12/519955812.db2.gz DXIKTZPEDMNUMA-QWHCGFSZSA-N 2 0 258.431 1.582 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@H](CN2CC[C@H]([NH+](CC)CC)C2)O1 ZINC000062972071 519956656 /nfs/dbraw/zinc/95/66/56/519956656.db2.gz USRSOWGHOARCPR-HRCADAONSA-N 2 0 283.460 1.560 10 0 CDAERP CC[NH2+]C[C@@]1(CN2CC[NH+]([C@@H](C)CC)CC2)CCOC1 ZINC000055071767 519958521 /nfs/dbraw/zinc/95/85/21/519958521.db2.gz BWEDTPZQCWUGNT-JKSUJKDBSA-N 2 0 283.460 1.419 10 0 CDAERP CC[NH2+]Cc1cc(N2CC[NH+](CC(C)C)CC2)ccn1 ZINC000055082440 519993654 /nfs/dbraw/zinc/99/36/54/519993654.db2.gz HZCXGKXVWWWOHJ-UHFFFAOYSA-N 2 0 276.428 1.969 10 0 CDAERP CC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1C[NH+](CCO)CCO ZINC000054560098 520123124 /nfs/dbraw/zinc/12/31/24/520123124.db2.gz UOLVGMNVGFXYMA-ARFHVFGLSA-N 2 0 286.460 1.323 10 0 CDAERP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000236901436 520725381 /nfs/dbraw/zinc/72/53/81/520725381.db2.gz RGIAUASQKWUEPY-MELADBBJSA-N 2 0 267.417 1.304 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@H]([NH3+])[C@@H]2C)CC1 ZINC000055129373 521556542 /nfs/dbraw/zinc/55/65/42/521556542.db2.gz MLFQVMUTUPKPKS-YUELXQCFSA-N 2 0 281.444 1.693 10 0 CDAERP CC[NH+]1CCN([C@H](C[NH2+]CC(C)C)C(C)C)CC1 ZINC000052422181 521695073 /nfs/dbraw/zinc/69/50/73/521695073.db2.gz JDZVYGYCJGELJU-OAHLLOKOSA-N 2 0 255.450 1.894 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)C2CCC(C[NH3+])CC2)C1 ZINC000055148043 521716305 /nfs/dbraw/zinc/71/63/05/521716305.db2.gz AYCLFGXDQSWHIF-ROKHWSDSSA-N 2 0 267.417 1.210 10 0 CDAERP C[NH+](C)CC[C@H](NC(=O)[C@H]1CCC[C@@H]([NH3+])C1)C(C)(C)C ZINC000236986717 521811836 /nfs/dbraw/zinc/81/18/36/521811836.db2.gz PIUSIGFQDVDGOA-MJBXVCDLSA-N 2 0 283.460 1.987 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000061644877 521833102 /nfs/dbraw/zinc/83/31/02/521833102.db2.gz XNXJENXXMRMNDF-GJZGRUSLSA-N 2 0 275.396 1.109 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1CC[NH2+]Cc1ccccc1 ZINC000061655189 521837898 /nfs/dbraw/zinc/83/78/98/521837898.db2.gz AFMQMRPNXMVKJN-INIZCTEOSA-N 2 0 261.413 1.802 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1[C@@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC000061643512 521843022 /nfs/dbraw/zinc/84/30/22/521843022.db2.gz DZBMIXFANZLWLW-IMJJTQAJSA-N 2 0 259.397 1.637 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1CCOc1ccc(C[NH3+])cc1 ZINC000061642491 521868287 /nfs/dbraw/zinc/86/82/87/521868287.db2.gz VAXYBXCEFOINBJ-OAHLLOKOSA-N 2 0 277.412 1.550 10 0 CDAERP C[NH+](C)Cc1ccccc1C[NH2+]Cc1cncnc1 ZINC000054767076 521936263 /nfs/dbraw/zinc/93/62/63/521936263.db2.gz MIUCEEOUCHYSAR-UHFFFAOYSA-N 2 0 256.353 1.828 10 0 CDAERP C[NH2+]CC1(C[N@@H+]2CCC[C@@H]2CCCO)CCOCC1 ZINC000052763430 521969530 /nfs/dbraw/zinc/96/95/30/521969530.db2.gz ZTDKZFPCHXBULD-CQSZACIVSA-N 2 0 270.417 1.240 10 0 CDAERP C[NH2+]CC1(CN2CC[C@@H]([NH+]3CCCCC3)C2)CCOCC1 ZINC000062970664 521972102 /nfs/dbraw/zinc/97/21/02/521972102.db2.gz PGWHGZQURMQXSV-MRXNPFEDSA-N 2 0 295.471 1.563 10 0 CDAERP C[NH2+]C[C@H]1CC[C@H](C[N@H+](C)Cc2ccoc2C)O1 ZINC000052346599 522096631 /nfs/dbraw/zinc/09/66/31/522096631.db2.gz HGKAELRHASHLQG-ZIAGYGMSSA-N 2 0 252.358 1.787 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C[C@H](C)C[NH2+]C2CC2)CC1 ZINC000055074731 522124061 /nfs/dbraw/zinc/12/40/61/522124061.db2.gz OZMGPHANBWUSEB-ZIAGYGMSSA-N 2 0 253.434 1.791 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(Cc2ccnc(C[NH3+])c2)CC1 ZINC000068750469 522126591 /nfs/dbraw/zinc/12/65/91/522126591.db2.gz ROAWXPCFBWXBIG-CYBMUJFWSA-N 2 0 262.401 1.456 10 0 CDAERP CC[C@@H](C)[NH+]1CCN([C@@H]2CCCC[C@@H]2[NH2+]C)CC1 ZINC000055065803 522129833 /nfs/dbraw/zinc/12/98/33/522129833.db2.gz BMQWRFKYWIUAFH-QLFBSQMISA-N 2 0 253.434 1.933 10 0 CDAERP C[NH2+]Cc1cnc(N2CC[NH+](C3CCCC3)CC2)s1 ZINC000054905631 522145781 /nfs/dbraw/zinc/14/57/81/522145781.db2.gz CLSWVNFNTITRIM-UHFFFAOYSA-N 2 0 280.441 1.927 10 0 CDAERP CCc1nc(N2CC[NH+](C(C)C)CC2)sc1C[NH3+] ZINC000054997427 522386006 /nfs/dbraw/zinc/38/60/06/522386006.db2.gz QRNJTIAYKFJEBT-UHFFFAOYSA-N 2 0 268.430 1.695 10 0 CDAERP CN(C1CC[NH+](C)CC1)[C@]1(C[NH3+])CCCSC1 ZINC000061589869 522414947 /nfs/dbraw/zinc/41/49/47/522414947.db2.gz OBADLRWXHNHJAI-ZDUSSCGKSA-N 2 0 257.447 1.237 10 0 CDAERP C[N@H+](CCCn1ccnc1)Cc1cccc(C[NH3+])c1 ZINC000049327447 522805851 /nfs/dbraw/zinc/80/58/51/522805851.db2.gz QWNGZDMXAHRSKE-UHFFFAOYSA-N 2 0 258.369 1.864 10 0 CDAERP COCCC[NH2+]C[C@@H](C)N1CCC[C@@H]1C[NH+](C)C ZINC000061655154 523372665 /nfs/dbraw/zinc/37/26/65/523372665.db2.gz VKRQKBMVOZKJGJ-ZIAGYGMSSA-N 2 0 257.422 1.027 10 0 CDAERP C[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000157222703 523760035 /nfs/dbraw/zinc/76/00/35/523760035.db2.gz BHDSOUNWISUBNB-PMPSAXMXSA-N 2 0 293.455 1.755 10 0 CDAERP C[N@H+]1C[C@@H]2C[NH+](C[C@@H](O)CC3CCCC3)C[C@@H]2C1 ZINC000365852761 524016318 /nfs/dbraw/zinc/01/63/18/524016318.db2.gz XVOVGYQFDLTYGY-ZNMIVQPWSA-N 2 0 252.402 1.421 10 0 CDAERP C[NH+](C)CCCCNC(=O)C[C@H]1CCC[C@H]([NH3+])C1 ZINC000055138985 524052289 /nfs/dbraw/zinc/05/22/89/524052289.db2.gz MJKIVZPXAXRJIS-STQMWFEESA-N 2 0 255.406 1.352 10 0 CDAERP C[NH+](C)CCCC[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000045598351 524052721 /nfs/dbraw/zinc/05/27/21/524052721.db2.gz VDUZXXOOXWPBST-UHFFFAOYSA-N 2 0 264.369 1.889 10 0 CDAERP C[C@H]1CCN(C(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)C1 ZINC000336949922 524245435 /nfs/dbraw/zinc/24/54/35/524245435.db2.gz SHOGTCKYMPNKAF-AWEZNQCLSA-N 2 0 296.459 1.406 10 0 CDAERP C[C@@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000055131576 524391695 /nfs/dbraw/zinc/39/16/95/524391695.db2.gz UKFLYQIJBYCROY-YIYPIFLZSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCCC[C@@H]1[NH3+])[NH+]1CCCCC1 ZINC000055089021 524450095 /nfs/dbraw/zinc/45/00/95/524450095.db2.gz BFNPPOJQYHSIMG-RDBSUJKOSA-N 2 0 267.417 1.495 10 0 CDAERP C[C@@H]1CC[N@H+](CCn2cc(C[NH2+]C(C)(C)C)nn2)C1 ZINC000052484510 524507957 /nfs/dbraw/zinc/50/79/57/524507957.db2.gz XZZSBTSVKHZYEH-GFCCVEGCSA-N 2 0 265.405 1.508 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050943208 524603113 /nfs/dbraw/zinc/60/31/13/524603113.db2.gz KTBKTKZSGWOZLC-GJZGRUSLSA-N 2 0 281.444 1.899 10 0 CDAERP C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1[C@@H](CC[NH3+])c1ccccc1 ZINC000055017013 524646623 /nfs/dbraw/zinc/64/66/23/524646623.db2.gz ZVNYJJZPEYGQFZ-SNPRPXQTSA-N 2 0 275.396 1.662 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCC2CC[NH+](C)CC2)CC[C@@H]1[NH3+] ZINC000055140170 524766952 /nfs/dbraw/zinc/76/69/52/524766952.db2.gz CEVRLFWDTUCPTB-UBHSHLNASA-N 2 0 267.417 1.208 10 0 CDAERP C[C@H]1CCC(=O)[C@H](C[NH+]2CCN(CC[NH+](C)C)CC2)C1 ZINC000061653420 526238158 /nfs/dbraw/zinc/23/81/58/526238158.db2.gz UKJFHXFOXARFGV-GJZGRUSLSA-N 2 0 281.444 1.171 10 0 CDAERP NC(=O)C1CC[NH+]([C@@H](CC[NH3+])c2ccccc2)CC1 ZINC000055015195 527190128 /nfs/dbraw/zinc/19/01/28/527190128.db2.gz RPAKGXXICLOAMZ-AWEZNQCLSA-N 2 0 261.369 1.274 10 0 CDAERP [NH3+]Cc1ccc(F)c(CN2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000062978100 527254879 /nfs/dbraw/zinc/25/48/79/527254879.db2.gz MRXFCBOZLWIUPE-OAHLLOKOSA-N 2 0 277.387 1.955 10 0 CDAERP NNc1ccc(C[N@@H+]2CCC[C@H]2CCCO)c[nH+]1 ZINC000052763260 527279172 /nfs/dbraw/zinc/27/91/72/527279172.db2.gz CQTDTNHGXWGVIY-LBPRGKRZSA-N 2 0 250.346 1.104 10 0 CDAERP [NH3+][C@H]1CCC[C@@H](CC(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000055132651 527402660 /nfs/dbraw/zinc/40/26/60/527402660.db2.gz URGYCPQDJQQZJB-CABCVRRESA-N 2 0 293.455 1.981 10 0 CDAERP CC[NH+]1CCC(CC[NH2+]Cc2cn3cccnc3n2)CC1 ZINC000297773531 528968023 /nfs/dbraw/zinc/96/80/23/528968023.db2.gz VUYVABVIZNNICT-UHFFFAOYSA-N 2 0 287.411 1.941 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)N(CC[NH+](C)C)C(C)C)C1 ZINC000157931188 529054312 /nfs/dbraw/zinc/05/43/12/529054312.db2.gz WGHURGODYBSGPX-CQSZACIVSA-N 2 0 284.448 1.452 10 0 CDAERP C[C@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650752851 574439293 /nfs/dbraw/zinc/43/92/93/574439293.db2.gz BUQWJLZFDUGODV-IINYFYTJSA-N 2 0 251.349 1.324 10 0 CDAERP C[N@@H+]1CCC[C@@]2(C[NH2+]C[C@@H]2C(=O)OC(C)(C)C)CC1 ZINC000757184551 574901624 /nfs/dbraw/zinc/90/16/24/574901624.db2.gz LQBBNANVNASNPN-DOMZBBRYSA-N 2 0 268.401 1.650 10 0 CDAERP C[C@H]1C[C@@H](N(C)C(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1C ZINC000763054843 576705098 /nfs/dbraw/zinc/70/50/98/576705098.db2.gz PAMCSCXOKYEKKU-STQMWFEESA-N 2 0 267.417 1.412 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)C1([NH+](C)C)CCC1 ZINC000762972675 576697370 /nfs/dbraw/zinc/69/73/70/576697370.db2.gz HBKXFSFYQWPATJ-CYBMUJFWSA-N 2 0 267.417 1.461 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2CC3(CC3)C(=O)O2)[C@H](C)C1 ZINC000763725389 576752642 /nfs/dbraw/zinc/75/26/42/576752642.db2.gz BTBXGROGPBMTIL-MCIONIFRSA-N 2 0 280.412 1.744 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001688915361 1175067386 /nfs/dbraw/zinc/06/73/86/1175067386.db2.gz VVDDEKFVUHGEPA-OKILXGFUSA-N 2 0 279.428 1.367 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001690192420 1175399755 /nfs/dbraw/zinc/39/97/55/1175399755.db2.gz OGYDUUGLTAFVKN-CQSZACIVSA-N 2 0 269.433 1.519 10 0 CDAERP CCCCOC[C@@H](O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000227883190 678684252 /nfs/dbraw/zinc/68/42/52/678684252.db2.gz MFYAHUDSDWEUQX-RUXDESIVSA-N 2 0 258.406 1.366 10 0 CDAERP CC(C)[C@H](C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2)N1CCOCC1 ZINC000925514585 617421275 /nfs/dbraw/zinc/42/12/75/617421275.db2.gz AGSCYULRMAQGNR-KKUMJFAQSA-N 2 0 281.444 1.203 10 0 CDAERP CC1(C)[C@@H](NC2CC[NH+](C3CC3)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925517519 617427220 /nfs/dbraw/zinc/42/72/20/617427220.db2.gz VUZNBTDXLFHSFQ-PMPSAXMXSA-N 2 0 277.456 1.979 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925540959 617481870 /nfs/dbraw/zinc/48/18/70/617481870.db2.gz JLARFHRUOYDTKW-SOUVJXGZSA-N 3 0 285.476 1.839 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]CCOc2ccc(Cl)cn2)C12CCC2 ZINC000925588039 617535556 /nfs/dbraw/zinc/53/55/56/617535556.db2.gz MLBGCUPAEMKVNI-VXGBXAGGSA-N 2 0 281.787 1.973 10 0 CDAERP O[C@H](C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)C1CCOCC1 ZINC000925619411 617565191 /nfs/dbraw/zinc/56/51/91/617565191.db2.gz NGCBKCOWTPXHFI-IXDOHACOSA-N 2 0 296.455 1.532 10 0 CDAERP C[C@H](CNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C)[NH+]1CCCCC1 ZINC000841726886 620727219 /nfs/dbraw/zinc/72/72/19/620727219.db2.gz VSQMYJPJNWFIIQ-MGPQQGTHSA-N 2 0 282.432 1.158 10 0 CDAERP CC(C)(O)CC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925647612 617591210 /nfs/dbraw/zinc/59/12/10/617591210.db2.gz ZBIHJEVHIJGLDA-ZIAGYGMSSA-N 2 0 254.418 1.905 10 0 CDAERP CC1(C)[C@@H]([NH2+]CC2=CCCOC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925671361 617631388 /nfs/dbraw/zinc/63/13/88/617631388.db2.gz CTYPIUAJOTZVTO-RDBSUJKOSA-N 2 0 250.386 1.699 10 0 CDAERP CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925770957 617636059 /nfs/dbraw/zinc/63/60/59/617636059.db2.gz XBKNVPBQCYKMCX-RBSFLKMASA-N 2 0 296.436 1.632 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC[C@H]1CCOC1=O ZINC000926830059 617639266 /nfs/dbraw/zinc/63/92/66/617639266.db2.gz KZDWVRRWUHJGBL-ICIURTGMSA-N 2 0 266.385 1.260 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000925779513 617682350 /nfs/dbraw/zinc/68/23/50/617682350.db2.gz JYQWPKYJIRDIDI-XLWJZTARSA-N 2 0 251.418 1.495 10 0 CDAERP CC1(C)C[C@@H]([NH2+][C@H]2C[C@H]3CCCCN3C2=O)C[C@@H]([NH3+])C1 ZINC000925693899 617707944 /nfs/dbraw/zinc/70/79/44/617707944.db2.gz NFCDZXKXHZODPA-RQJABVFESA-N 2 0 279.428 1.635 10 0 CDAERP CC[N@H+](CCNC(=[NH2+])NC1CCCCC1)C1CC1 ZINC000221886736 617731893 /nfs/dbraw/zinc/73/18/93/617731893.db2.gz OYVPBKZPQRFNNH-UHFFFAOYSA-N 2 0 252.406 1.917 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)C1 ZINC000925700569 617743935 /nfs/dbraw/zinc/74/39/35/617743935.db2.gz UMKBIRNZAGJEEE-QWHCGFSZSA-N 3 0 253.434 1.872 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CN(C2CC2)C(=O)O1 ZINC000925709897 617803684 /nfs/dbraw/zinc/80/36/84/617803684.db2.gz ALOBWNXDGHXOOM-GYZUJDFASA-N 2 0 279.384 1.075 10 0 CDAERP FCCOCC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925716537 617835527 /nfs/dbraw/zinc/83/55/27/617835527.db2.gz OTBHFGMZWGWCRQ-UONOGXRCSA-N 2 0 258.381 1.730 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000925827587 617841200 /nfs/dbraw/zinc/84/12/00/617841200.db2.gz AFRQWGDRKZAMEV-SDDRHHMPSA-N 2 0 298.349 1.830 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N(C)C1CCC([NH3+])CC1 ZINC000841692415 617846735 /nfs/dbraw/zinc/84/67/35/617846735.db2.gz GMXDKUTUMPFUEE-IYXRBSQSSA-N 2 0 284.448 1.628 10 0 CDAERP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000925833266 617858717 /nfs/dbraw/zinc/85/87/17/617858717.db2.gz WBYANBNNRGVNCY-SEBNEYGDSA-N 2 0 250.386 1.685 10 0 CDAERP Cc1cc(CC[NH2+][C@H]2CCCC[C@H]2C[NH3+])nn1C ZINC000925834324 617861811 /nfs/dbraw/zinc/86/18/11/617861811.db2.gz NCUKBHMZSICUEB-JSGCOSHPSA-N 2 0 250.390 1.378 10 0 CDAERP O=C1C[C@H](CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CN1 ZINC000925837503 617867716 /nfs/dbraw/zinc/86/77/16/617867716.db2.gz FZHQFHPKXSQWAO-ZQDZILKHSA-N 2 0 279.428 1.413 10 0 CDAERP C[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)C1CC[NH+](C)CC1 ZINC000925843369 617875340 /nfs/dbraw/zinc/87/53/40/617875340.db2.gz FNNJCOFFUMRMDR-INIZCTEOSA-N 3 0 296.503 1.382 10 0 CDAERP O=C1O[C@H](C[NH2+][C@@H]2CCC23CCC3)CC12CC[NH2+]CC2 ZINC000925850797 617887586 /nfs/dbraw/zinc/88/75/86/617887586.db2.gz QEPAVTLIYIHUBE-QWHCGFSZSA-N 2 0 278.396 1.594 10 0 CDAERP C[C@H](NCCc1cccc2c1OCCO2)[C@@H]1CCC[NH2+]1 ZINC000925874034 617939616 /nfs/dbraw/zinc/93/96/16/617939616.db2.gz GSEYDHVOKVBMNT-JSGCOSHPSA-N 2 0 276.380 1.730 10 0 CDAERP CO[C@@H](C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)C1CCC1 ZINC000852747995 617960018 /nfs/dbraw/zinc/96/00/18/617960018.db2.gz FNMJVTZSYSKJGX-LSDHHAIUSA-N 2 0 252.402 1.877 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](CCO[C@@H]2CCOC2)C1 ZINC000923415870 618327673 /nfs/dbraw/zinc/32/76/73/618327673.db2.gz RYQKECWLSLMNKT-UKRRQHHQSA-N 2 0 270.417 1.489 10 0 CDAERP C[C@@H]1C[N@H+](C[C@H](O)CCc2ccccc2)C[C@H]1CC[NH3+] ZINC000923427563 618335943 /nfs/dbraw/zinc/33/59/43/618335943.db2.gz BWMVEBAIOZWLES-DJIMGWMZSA-N 2 0 276.424 1.897 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1 ZINC000924995425 618570632 /nfs/dbraw/zinc/57/06/32/618570632.db2.gz YYWCAEGIUUJFNZ-OIISXLGYSA-N 2 0 295.471 1.417 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCC[NH+]1CCC[C@@H]1CO ZINC000925022326 618794208 /nfs/dbraw/zinc/79/42/08/618794208.db2.gz GSOQLGYAPDJZID-LVYZTWJOSA-N 3 0 295.471 1.153 10 0 CDAERP C[C@@H]1[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC[N@@H+]1C ZINC000928431787 619030665 /nfs/dbraw/zinc/03/06/65/619030665.db2.gz AVRRJVULPREQTR-YUELXQCFSA-N 2 0 279.428 1.602 10 0 CDAERP COC(=O)[C@H]1[C@H](C[NH2+]Cc2ccc3c[nH+]cn3c2)C1(F)F ZINC000894983896 619184181 /nfs/dbraw/zinc/18/41/81/619184181.db2.gz TUWZIMAGUPRICW-NWDGAFQWSA-N 2 0 295.289 1.478 10 0 CDAERP C[C@H](C[NH2+]C1C[C@@H]2CCC[C@H]2C1)N1CC[NH+](C)CC1 ZINC000902793764 625410128 /nfs/dbraw/zinc/41/01/28/625410128.db2.gz LOOQHCNSCGTMTE-ILXRZTDVSA-N 2 0 265.445 1.791 10 0 CDAERP C[C@@H]1COC[C@@H](C)C1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000924632323 621612050 /nfs/dbraw/zinc/61/20/50/621612050.db2.gz MHTKTYWQYVKUBO-ZIAGYGMSSA-N 2 0 283.460 1.273 10 0 CDAERP C[NH+](C)C1(C)CCC(NC(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC000923902641 622411285 /nfs/dbraw/zinc/41/12/85/622411285.db2.gz OPRNNNYYKQGDFT-JVWICGRDSA-N 2 0 282.432 1.253 10 0 CDAERP O=C(NCC[NH+]1CCC1)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000901180132 623920100 /nfs/dbraw/zinc/92/01/00/623920100.db2.gz BNHRDHXZTPJKPC-UHFFFAOYSA-N 2 0 286.379 1.726 10 0 CDAERP c1cc(C[NH+]2CCC(N[C@@H]3C[C@H]4CC[C@@H]3[NH2+]4)CC2)ccn1 ZINC000902474159 624822729 /nfs/dbraw/zinc/82/27/29/624822729.db2.gz DBFHUBJOEHDXBW-IXDOHACOSA-N 2 0 286.423 1.529 10 0 CDAERP NC(=O)CC1CC([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000903259268 625934247 /nfs/dbraw/zinc/93/42/47/625934247.db2.gz BKZOYHXVXXRIEI-UHFFFAOYSA-N 2 0 265.401 1.104 10 0 CDAERP C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)C[C@H]1COc2ccccc2O1 ZINC000903427405 625989168 /nfs/dbraw/zinc/98/91/68/625989168.db2.gz ZBCUSDQWNBQYDU-RDBSUJKOSA-N 2 0 276.380 1.886 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CCNC(=O)C[C@H]1c1ccccc1 ZINC000903430862 625989911 /nfs/dbraw/zinc/98/99/11/625989911.db2.gz FOQXSFCMMDLKET-KBMXLJTQSA-N 2 0 287.407 1.405 10 0 CDAERP CCN(CC)C(=O)C1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903432886 625990646 /nfs/dbraw/zinc/99/06/46/625990646.db2.gz PFPMBBDEDAFRCG-HIFRSBDPSA-N 2 0 281.444 1.694 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN(C)CC[C@H]1CCCC[N@@H+]1C ZINC000903443662 625997503 /nfs/dbraw/zinc/99/75/03/625997503.db2.gz GZWKYYQEFRLQTE-QLFBSQMISA-N 2 0 253.434 1.648 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCCOC(C)C)C2 ZINC000903492644 626011133 /nfs/dbraw/zinc/01/11/33/626011133.db2.gz IGBPLRCUMUPKQN-GUTXKFCHSA-N 2 0 284.400 1.014 10 0 CDAERP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496519 626012100 /nfs/dbraw/zinc/01/21/00/626012100.db2.gz QSWMFGXRHQXJHD-LJIZCISZSA-N 2 0 295.471 1.987 10 0 CDAERP C[C@@H]1C[N@H+](Cc2nc(CC(F)(F)F)no2)C[C@H]1CC[NH3+] ZINC000903496757 626012167 /nfs/dbraw/zinc/01/21/67/626012167.db2.gz BVMZQJISQWWZSN-RKDXNWHRSA-N 2 0 292.305 1.591 10 0 CDAERP C([NH2+]C1CCN(C[C@@H]2CCCC[NH2+]C2)CC1)C1CC1 ZINC000903717558 626062457 /nfs/dbraw/zinc/06/24/57/626062457.db2.gz RQRKQYRJYIZFBC-OAHLLOKOSA-N 2 0 265.445 1.840 10 0 CDAERP C(CC1CC[NH2+]CC1)C[N@@H+]1CCOC[C@H]1C[C@H]1CCOC1 ZINC000903825328 626104454 /nfs/dbraw/zinc/10/44/54/626104454.db2.gz YYCUSCQAFVBTMP-IAGOWNOFSA-N 2 0 296.455 1.894 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCC[C@@H](C)[C@H]2C)cnn1C ZINC000903889778 626124330 /nfs/dbraw/zinc/12/43/30/626124330.db2.gz VFIRJFOLADECIL-UMVBOHGHSA-N 2 0 278.444 1.966 10 0 CDAERP C[C@@H]1[C@H](C)SCCN1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903894621 626135267 /nfs/dbraw/zinc/13/52/67/626135267.db2.gz AQCGESXGLFUDPA-FRRDWIJNSA-N 2 0 295.456 1.528 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@@H+]2C[C@@H](C)C[C@@H]2C)cnn1C ZINC000903895610 626135680 /nfs/dbraw/zinc/13/56/80/626135680.db2.gz OVYMNVUPIPLNBS-SGMGOOAPSA-N 2 0 264.417 1.576 10 0 CDAERP C[C@H]1CSCC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903912499 626144825 /nfs/dbraw/zinc/14/48/25/626144825.db2.gz FWTOPIJTQPWZPM-CHWSQXEVSA-N 2 0 295.456 1.388 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCSC[C@H](C)C2)cnn1C ZINC000903913109 626145353 /nfs/dbraw/zinc/14/53/53/626145353.db2.gz MOQRNLDZARGPIU-OCCSQVGLSA-N 2 0 296.484 1.531 10 0 CDAERP COC[C@H]([NH2+][C@H](C)C[C@H]1CCC[NH2+]1)[C@@H]1CCCOC1 ZINC000903959395 626159603 /nfs/dbraw/zinc/15/96/03/626159603.db2.gz HGCWVXZGXMNNCB-TUVASFSCSA-N 2 0 270.417 1.548 10 0 CDAERP COC[C@H]([NH2+]C1CCC([NH3+])CC1)[C@@H]1CCCOC1 ZINC000903959698 626160058 /nfs/dbraw/zinc/16/00/58/626160058.db2.gz MNNRZBLYFFBNAH-RYSNWHEDSA-N 2 0 256.390 1.288 10 0 CDAERP CCC1([NH3+])CC[NH+](CCC(C)(C)C(=O)OC)CC1 ZINC000903947576 626163844 /nfs/dbraw/zinc/16/38/44/626163844.db2.gz BHULSBKAXMVFCB-UHFFFAOYSA-N 2 0 256.390 1.779 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000903968034 626172122 /nfs/dbraw/zinc/17/21/22/626172122.db2.gz PXYBUQMXLXVHGZ-NEPJUHHUSA-N 2 0 276.409 1.879 10 0 CDAERP CC(C)(C)[NH2+]CCN1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903983596 626173072 /nfs/dbraw/zinc/17/30/72/626173072.db2.gz JXRPLVDXCVZLQE-NXEZZACHSA-N 2 0 267.339 1.586 10 0 CDAERP COC(=O)C[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C[C@H]1C ZINC000903986549 626174291 /nfs/dbraw/zinc/17/42/91/626174291.db2.gz LZIQGWSTUZWIKA-AAVRWANBSA-N 2 0 268.401 1.506 10 0 CDAERP C[C@@]1([C@H]2CCC[N@@H+](C[C@@]3(C)CC[NH2+]C3)C2)COC(=O)N1 ZINC000903986755 626174396 /nfs/dbraw/zinc/17/43/96/626174396.db2.gz RFKGGWBHFOCLKO-QEJZJMRPSA-N 2 0 281.400 1.197 10 0 CDAERP CC[C@@H]1C[C@@H](C[NH2+][C@H]2CC23CC[NH2+]CC3)CCO1 ZINC000841079842 626196064 /nfs/dbraw/zinc/19/60/64/626196064.db2.gz PKCKZSVMFMJHBU-MJBXVCDLSA-N 2 0 252.402 1.923 10 0 CDAERP c1cc(-c2ccccc2)oc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000904396657 626273529 /nfs/dbraw/zinc/27/35/29/626273529.db2.gz MFKUWICAHWGIEZ-UHFFFAOYSA-N 2 0 285.391 1.941 10 0 CDAERP c1[nH]nc(-c2ccccc2)c1CN1CC[NH2+]CC[NH2+]CC1 ZINC000904397202 626287615 /nfs/dbraw/zinc/28/76/15/626287615.db2.gz BKGLSPNRPVAUMG-UHFFFAOYSA-N 2 0 285.395 1.072 10 0 CDAERP CC[C@H]1[NH2+]CC[C@@H]1c1nc(CC2CC[NH2+]CC2)no1 ZINC000905313676 626744352 /nfs/dbraw/zinc/74/43/52/626744352.db2.gz MRWQDFJGMJNKJO-NWDGAFQWSA-N 2 0 264.373 1.467 10 0 CDAERP [NH3+]CCCCCCc1nc(CC2CC[NH2+]CC2)no1 ZINC000905317130 626746059 /nfs/dbraw/zinc/74/60/59/626746059.db2.gz GQPNDYNAGVBTBH-UHFFFAOYSA-N 2 0 266.389 1.673 10 0 CDAERP CC(C)C[C@@H]([NH3+])C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000906078956 627118949 /nfs/dbraw/zinc/11/89/49/627118949.db2.gz YESMUZQAAKVMJK-MJBXVCDLSA-N 2 0 267.417 1.350 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC000906627508 627359816 /nfs/dbraw/zinc/35/98/16/627359816.db2.gz HOKJZVAKGHPVCS-CQSZACIVSA-N 2 0 281.444 1.661 10 0 CDAERP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000907852380 627859451 /nfs/dbraw/zinc/85/94/51/627859451.db2.gz WDJCZKHWEKYBPP-ZDUSSCGKSA-N 2 0 279.428 1.319 10 0 CDAERP O=C(CCCC[NH+]1CCCC1)N1CCC([NH+]2CCC2)CC1 ZINC000912880908 630263072 /nfs/dbraw/zinc/26/30/72/630263072.db2.gz IRMGPPSHKROKPU-UHFFFAOYSA-N 2 0 293.455 1.949 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H]([NH+]3CCC3)C2)C1 ZINC000912900611 630269054 /nfs/dbraw/zinc/26/90/54/630269054.db2.gz OPQHCZIPJILJIY-CABCVRRESA-N 2 0 279.428 1.415 10 0 CDAERP CC[N@H+](CC(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1)C1CC1 ZINC000913283963 630434997 /nfs/dbraw/zinc/43/49/97/630434997.db2.gz MIFURRQJDDGAOU-HZPDHXFCSA-N 2 0 279.428 1.271 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000913288212 630436828 /nfs/dbraw/zinc/43/68/28/630436828.db2.gz BQXLIYOISXAACD-HUUCEWRRSA-N 2 0 267.417 1.127 10 0 CDAERP O=C(NC12CC[NH+](CC1)C2)c1cccc(C[NH+]2CCCC2)c1 ZINC000913628577 630718481 /nfs/dbraw/zinc/71/84/81/630718481.db2.gz IXHIUNUGTFQNKC-UHFFFAOYSA-N 2 0 299.418 1.860 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CC[NH+](C)[C@@H]1C ZINC000919528457 632619654 /nfs/dbraw/zinc/61/96/54/632619654.db2.gz JREAFVJJTSUALJ-KFWWJZLASA-N 2 0 296.459 1.643 10 0 CDAERP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1NC1CC[NH+](CC3CC3)CC1)[NH2+]2 ZINC000925473254 632682774 /nfs/dbraw/zinc/68/27/74/632682774.db2.gz LGNBNMLGOJWWHO-ZFVVBOAOSA-N 2 0 277.456 1.979 10 0 CDAERP CC[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)C1CC1 ZINC000925851096 679018501 /nfs/dbraw/zinc/01/85/01/679018501.db2.gz LNEDHMAAJVJQOH-OLZOCXBDSA-N 2 0 266.385 1.450 10 0 CDAERP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000720909364 677709991 /nfs/dbraw/zinc/70/99/91/677709991.db2.gz WPKZZHSKDAURQZ-AAVRWANBSA-N 2 0 265.401 1.199 10 0 CDAERP c1ccc2c(c1)cncc2CNC[C@H]1C[NH2+]CCCO1 ZINC000841085535 677721224 /nfs/dbraw/zinc/72/12/24/677721224.db2.gz GNGUNGQYBASOHJ-OAHLLOKOSA-N 2 0 271.364 1.703 10 0 CDAERP CC(C)[C@H](C[NH2+]Cc1ccnc(F)c1)N1CC[NH+](C)CC1 ZINC000858093427 677773716 /nfs/dbraw/zinc/77/37/16/677773716.db2.gz AYUVWJBWRRIBOS-HNNXBMFYSA-N 2 0 294.418 1.582 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CC(=O)N(CC2CC2)C1 ZINC000716815139 677837433 /nfs/dbraw/zinc/83/74/33/677837433.db2.gz NSJPOCKFMYFITI-AAEUAGOBSA-N 2 0 253.390 1.104 10 0 CDAERP C[C@@H]1CN(CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)C[C@H]1C[NH3+] ZINC000723836977 677823884 /nfs/dbraw/zinc/82/38/84/677823884.db2.gz SJGUDNCNKLIHHK-UXXRCYHCSA-N 2 0 281.444 1.454 10 0 CDAERP CCOC(=O)N1CC[C@H]([NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000925644124 677819590 /nfs/dbraw/zinc/81/95/90/677819590.db2.gz YBTJHXJAPXCKHV-RFQIPJPRSA-N 2 0 295.427 1.583 10 0 CDAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)CCC23CC(C2)C[NH2+]3)C1 ZINC000870895738 677964169 /nfs/dbraw/zinc/96/41/69/677964169.db2.gz JUFXJPZNWKMFSC-HLIUYOAVSA-N 2 0 279.428 1.319 10 0 CDAERP C[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1C)[NH+]1CCCCC1 ZINC000858277404 677931638 /nfs/dbraw/zinc/93/16/38/677931638.db2.gz MDZXGPDNAIJYDJ-KBPBESRZSA-N 2 0 282.432 1.254 10 0 CDAERP C[C@@H]1CN(C(=[NH2+])NCCC[NH+]2CCCCCC2)CCO1 ZINC000848981578 677933333 /nfs/dbraw/zinc/93/33/33/677933333.db2.gz VVAPCWTWDNNNRK-CQSZACIVSA-N 2 0 282.432 1.498 10 0 CDAERP CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000925334193 678009512 /nfs/dbraw/zinc/00/95/12/678009512.db2.gz KFMGDUXRSHCMLZ-UONOGXRCSA-N 2 0 284.448 1.452 10 0 CDAERP C[NH+](C)Cc1ccc(C[N@H+](C)[C@H]2CCCNC2=O)cc1 ZINC000783740797 678092379 /nfs/dbraw/zinc/09/23/79/678092379.db2.gz MVKQFOZMOMJIDG-HNNXBMFYSA-N 2 0 275.396 1.459 10 0 CDAERP CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)[C@H](O)C(F)F ZINC000925678340 678147637 /nfs/dbraw/zinc/14/76/37/678147637.db2.gz CPRHVTWIMFZKHE-ZNSHCXBVSA-N 2 0 264.360 1.887 10 0 CDAERP CCn1ccnc1C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000385328427 678159994 /nfs/dbraw/zinc/15/99/94/678159994.db2.gz JYZAGHOERZSRNB-GFCCVEGCSA-N 2 0 250.390 1.723 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)CC[C@@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000844187904 678160354 /nfs/dbraw/zinc/16/03/54/678160354.db2.gz METXFVMMEFNURM-SOUVJXGZSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000715531247 678232024 /nfs/dbraw/zinc/23/20/24/678232024.db2.gz GPYHWPPJTUAOII-JHJVBQTASA-N 2 0 255.406 1.349 10 0 CDAERP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N[C@H](C)CC[NH+](C)C ZINC000713109273 678188910 /nfs/dbraw/zinc/18/89/10/678188910.db2.gz BMKHKSYVTUJXME-VXGBXAGGSA-N 2 0 257.422 1.452 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711341577 678199404 /nfs/dbraw/zinc/19/94/04/678199404.db2.gz ABCLUVZVINBULX-CYBMUJFWSA-N 2 0 269.433 1.278 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCc2ccccc2OC1 ZINC000423114072 679681181 /nfs/dbraw/zinc/68/11/81/679681181.db2.gz LGJBSOHJQYXAKG-CABCVRRESA-N 2 0 278.396 1.724 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[C@@H]([NH3+])C(C)C)C1 ZINC000713062784 679682608 /nfs/dbraw/zinc/68/26/08/679682608.db2.gz WIMHDLSQZBMZMS-OLZOCXBDSA-N 2 0 269.433 1.596 10 0 CDAERP Cc1cc([C@@H]([NH3+])CC(=O)N(C)[C@@H](C)C[NH3+])cc(Cl)n1 ZINC000841848634 677702953 /nfs/dbraw/zinc/70/29/53/677702953.db2.gz NOCPVMLJGQWELX-ONGXEEELSA-N 2 0 284.791 1.239 10 0 CDAERP COc1cccc(NC(=[NH2+])NC[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000849048390 677804246 /nfs/dbraw/zinc/80/42/46/677804246.db2.gz CJSMNDAHPKEZFU-BJHJDKERSA-N 2 0 276.384 1.972 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925667138 677809443 /nfs/dbraw/zinc/80/94/43/677809443.db2.gz ANQYELONRNAAJF-IHRRRGAJSA-N 2 0 251.418 1.720 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841846874 677911845 /nfs/dbraw/zinc/91/18/45/677911845.db2.gz BECWRTVHXCZBOK-HNNXBMFYSA-N 2 0 289.423 1.582 10 0 CDAERP CC[NH+]1CCC(C[NH2+][C@@H]2CN3C[C@@H]2CCC3)CC1 ZINC000924953519 678047878 /nfs/dbraw/zinc/04/78/78/678047878.db2.gz CRIUJEVUSQJRJM-LSDHHAIUSA-N 2 0 251.418 1.402 10 0 CDAERP C[C@@H](CN1CCOCC1)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866706399 678049609 /nfs/dbraw/zinc/04/96/09/678049609.db2.gz HXGHOZGXHXEUIU-GOEBONIOSA-N 2 0 283.460 1.404 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[NH+](C)[C@@H]1C ZINC000922519022 678050429 /nfs/dbraw/zinc/05/04/29/678050429.db2.gz KWKPLNBHUKMTPY-MGPQQGTHSA-N 2 0 284.448 1.499 10 0 CDAERP COC(=O)C1=CC[C@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000858477966 678127219 /nfs/dbraw/zinc/12/72/19/678127219.db2.gz YFBGQNQEZJMZFN-FZMZJTMJSA-N 2 0 266.385 1.568 10 0 CDAERP C[C@@H](C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1)[NH+](C)C ZINC000928829602 678150848 /nfs/dbraw/zinc/15/08/48/678150848.db2.gz KWURZDACFITRIK-JSGCOSHPSA-N 2 0 278.400 1.141 10 0 CDAERP C[C@H]1C[N@H+](Cc2cn3cccnc3n2)CC[C@H]1C[NH3+] ZINC000923501722 678160868 /nfs/dbraw/zinc/16/08/68/678160868.db2.gz TUEVQKUVNYABQQ-RYUDHWBXSA-N 2 0 259.357 1.146 10 0 CDAERP CC[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)C1CC1 ZINC000925851095 678168100 /nfs/dbraw/zinc/16/81/00/678168100.db2.gz LNEDHMAAJVJQOH-CHWSQXEVSA-N 2 0 266.385 1.450 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@H]1CC[C@@H](C3CC3)O1)C2 ZINC000715414197 678247229 /nfs/dbraw/zinc/24/72/29/678247229.db2.gz LPWLCQBTLOFKKJ-PMTDCRIQSA-N 2 0 250.386 1.756 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1)CC(C)(C)C ZINC000709174708 678253875 /nfs/dbraw/zinc/25/38/75/678253875.db2.gz FIKUMJVNWMVZJR-KGLIPLIRSA-N 2 0 283.460 1.846 10 0 CDAERP COCCOCCCC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925547591 678270711 /nfs/dbraw/zinc/27/07/11/678270711.db2.gz PURYDWKMNIBWJX-KKUMJFAQSA-N 2 0 284.444 1.796 10 0 CDAERP CC(C)C[N@H+](C[C@H](O)[C@@H](C)O)CC1CC[NH+](C)CC1 ZINC000931564651 678284858 /nfs/dbraw/zinc/28/48/58/678284858.db2.gz MLKIGGDBXBQLOB-HIFRSBDPSA-N 2 0 272.433 1.028 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000925575424 678303191 /nfs/dbraw/zinc/30/31/91/678303191.db2.gz GNUMRIOGOAARGL-MCAJLIOHSA-N 2 0 296.480 1.971 10 0 CDAERP CC(C)N1C[C@H]([NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1=O ZINC000925582069 678315409 /nfs/dbraw/zinc/31/54/09/678315409.db2.gz WJPWREDBCFYMEC-YNEHKIRRSA-N 2 0 267.417 1.491 10 0 CDAERP C[N@@H+]1C[C@@H]2C[NH+](C[C@H](O)Cc3ccccc3)C[C@]2(C)C1 ZINC000933732373 678320350 /nfs/dbraw/zinc/32/03/50/678320350.db2.gz PHSVNAJPIMOGMM-ZACQAIPSSA-N 2 0 274.408 1.474 10 0 CDAERP CC1(C)CC[C@@H]1[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925852424 678331402 /nfs/dbraw/zinc/33/14/02/678331402.db2.gz UNCIHUVTZSOPTE-RYUDHWBXSA-N 2 0 266.385 1.450 10 0 CDAERP C[C@@H]1C[C@H](C[NH+]2CCC(O)(C[NH+](C)C)CC2)CCO1 ZINC000931482609 678335720 /nfs/dbraw/zinc/33/57/20/678335720.db2.gz ZHXJLCJSBGJYAE-ZIAGYGMSSA-N 2 0 270.417 1.190 10 0 CDAERP CC(C)C[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000796723193 678351802 /nfs/dbraw/zinc/35/18/02/678351802.db2.gz KNRKFTNHFPKUTQ-XQLPTFJDSA-N 2 0 254.418 1.856 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)c1ccsc1 ZINC000870863456 678365879 /nfs/dbraw/zinc/36/58/79/678365879.db2.gz HPDMOCGEVSTQTC-OSFYFWSMSA-N 2 0 293.436 1.594 10 0 CDAERP C[NH2+][C@H]1CCN(C(=O)C[C@@H]([NH3+])c2cc(C)nc(Cl)c2)C1 ZINC000832250250 678371958 /nfs/dbraw/zinc/37/19/58/678371958.db2.gz NNYCVFBHWYNUCN-NWDGAFQWSA-N 2 0 296.802 1.254 10 0 CDAERP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925857211 678379671 /nfs/dbraw/zinc/37/96/71/678379671.db2.gz YZTSFXSKQOHNTH-RDBSUJKOSA-N 2 0 280.412 1.840 10 0 CDAERP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)C(C)(C)CO ZINC000925022030 678390075 /nfs/dbraw/zinc/39/00/75/678390075.db2.gz DWZGAVXMSBMPCG-KBPBESRZSA-N 2 0 272.433 1.220 10 0 CDAERP C[C@H]1CC[NH2+][C@@H](C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000253148751 678407919 /nfs/dbraw/zinc/40/79/19/678407919.db2.gz BDRPPXITHVHTJS-LUGNKYPNSA-N 2 0 279.428 1.506 10 0 CDAERP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000880516040 678413633 /nfs/dbraw/zinc/41/36/33/678413633.db2.gz JROAGWSYLQVJTG-ZNMIVQPWSA-N 2 0 270.417 1.379 10 0 CDAERP CCO[C@@H](C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)C1CC1 ZINC000863544322 678427435 /nfs/dbraw/zinc/42/74/35/678427435.db2.gz QQBUIZNEUYFHHU-GJZGRUSLSA-N 2 0 252.402 1.877 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000817906991 678437106 /nfs/dbraw/zinc/43/71/06/678437106.db2.gz KMVPZDDLIVLJLC-SRVKXCTJSA-N 2 0 299.440 1.835 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC000926895084 678439087 /nfs/dbraw/zinc/43/90/87/678439087.db2.gz CWECOJWDOIMFRT-YIONKMFJSA-N 2 0 294.439 1.238 10 0 CDAERP [NH3+][C@@H]1CN(CCC[NH2+]C2CC2)C[C@H]1c1cccc(F)c1 ZINC000923378549 678440926 /nfs/dbraw/zinc/44/09/26/678440926.db2.gz IRHKXBGBJWNVMQ-JKSUJKDBSA-N 2 0 277.387 1.694 10 0 CDAERP C[C@@H]1C[C@H]1NC(=[NH2+])NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000864449888 678444028 /nfs/dbraw/zinc/44/40/28/678444028.db2.gz BSEGIFBGSIXISU-FVCCEPFGSA-N 2 0 268.405 1.008 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000817898765 678464296 /nfs/dbraw/zinc/46/42/96/678464296.db2.gz JYECVHXKHVIGJP-KGLIPLIRSA-N 2 0 286.803 1.717 10 0 CDAERP O=C(CCC12CC(C1)C[NH2+]2)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000870914188 678466328 /nfs/dbraw/zinc/46/63/28/678466328.db2.gz KOOFKHYRMJTBIT-GNHJJJEISA-N 2 0 291.439 1.367 10 0 CDAERP CC1(C)[C@H]([NH2+]CCC2CC(O)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925653020 678492982 /nfs/dbraw/zinc/49/29/82/678492982.db2.gz VCCLUIVVPZXFDC-MYXTYHMWSA-N 2 0 252.402 1.514 10 0 CDAERP CS(=O)(=O)CCCCN1CCCC[C@@H]1CC[NH3+] ZINC000706604021 678493617 /nfs/dbraw/zinc/49/36/17/678493617.db2.gz LTRPNVOGOCNLHV-GFCCVEGCSA-N 2 0 262.419 1.015 10 0 CDAERP CC(C)OC[C@H](O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000226126870 678497160 /nfs/dbraw/zinc/49/71/60/678497160.db2.gz BZTSZNFHNDOLKZ-KFWWJZLASA-N 2 0 270.417 1.236 10 0 CDAERP COC(=O)[C@@H]1C[N@H+](CC[C@@H]2CCCC[NH+]2C)C[C@@H]1C ZINC000227824455 678537840 /nfs/dbraw/zinc/53/78/40/678537840.db2.gz DNZCBNXZVVFCIZ-MELADBBJSA-N 2 0 268.401 1.602 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925546867 678547233 /nfs/dbraw/zinc/54/72/33/678547233.db2.gz QOVUGCJISHSIKU-CVEARBPZSA-N 3 0 296.503 1.510 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]CCOc2ncccc2F)C12CCC2 ZINC000925615009 678580616 /nfs/dbraw/zinc/58/06/16/678580616.db2.gz DNZZQWNQWMPEJN-VXGBXAGGSA-N 2 0 265.332 1.459 10 0 CDAERP CC(C)COC[C@H](O)C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925614331 678586043 /nfs/dbraw/zinc/58/60/43/678586043.db2.gz WMBJZGHTQVFOGE-KBXIAJHMSA-N 2 0 284.444 1.386 10 0 CDAERP CCOc1cccc([C@@H](C)[NH2+]CCOCC[NH2+]C)c1 ZINC000863542115 678602709 /nfs/dbraw/zinc/60/27/09/678602709.db2.gz GCUFIOJORZFDLA-CYBMUJFWSA-N 2 0 266.385 1.972 10 0 CDAERP Cc1cc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc[nH+]1 ZINC000866011535 678602740 /nfs/dbraw/zinc/60/27/40/678602740.db2.gz GTOAUCXPLIAZNW-HUUCEWRRSA-N 3 0 276.428 1.566 10 0 CDAERP C[N@@H+]1CCN(C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])CCC1(C)C ZINC000712626569 678605174 /nfs/dbraw/zinc/60/51/74/678605174.db2.gz OOKDUDDFBBPADH-KGLIPLIRSA-N 2 0 281.444 1.837 10 0 CDAERP C[C@@H](NC[C@H]1C[NH2+]CCC1(F)F)c1c[nH+]ccc1N ZINC000925779303 678611190 /nfs/dbraw/zinc/61/11/90/678611190.db2.gz WTBUPIBIBOTRIZ-NXEZZACHSA-N 2 0 270.327 1.390 10 0 CDAERP CC(C)COC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000923364700 678643121 /nfs/dbraw/zinc/64/31/21/678643121.db2.gz QHISQKRZFRQKPR-ARFHVFGLSA-N 2 0 284.444 1.484 10 0 CDAERP C[NH+](C)CCCOC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000811444596 678656622 /nfs/dbraw/zinc/65/66/22/678656622.db2.gz JHBZLUBWFYECEB-AWEZNQCLSA-N 2 0 274.380 1.694 10 0 CDAERP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)CC[NH2+]C(C)(C)C ZINC000720898047 678670019 /nfs/dbraw/zinc/67/00/19/678670019.db2.gz INEBFTCGEFYQOQ-STQMWFEESA-N 2 0 267.417 1.460 10 0 CDAERP COCC[N@H+](C)CCC[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1 ZINC000924652512 678704536 /nfs/dbraw/zinc/70/45/36/678704536.db2.gz ATACBEFYHHMAIV-CVEARBPZSA-N 2 0 284.444 1.750 10 0 CDAERP C[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1cccnc1 ZINC000925844012 678707033 /nfs/dbraw/zinc/70/70/33/678707033.db2.gz ICSYJCSVFIZGAK-HNNXBMFYSA-N 2 0 276.428 1.808 10 0 CDAERP Cc1cc(C[NH+]2CCC(C(C)(C)C[NH3+])CC2)nn1C ZINC000714397691 678715593 /nfs/dbraw/zinc/71/55/93/678715593.db2.gz XHGGTJPBDYUTQA-UHFFFAOYSA-N 2 0 264.417 1.925 10 0 CDAERP COC(=O)c1cncc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000923429081 678721198 /nfs/dbraw/zinc/72/11/98/678721198.db2.gz OMZGRFADZOGHTK-DGCLKSJQSA-N 2 0 277.368 1.285 10 0 CDAERP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cnn(CCF)c2)C1 ZINC000922180468 678729781 /nfs/dbraw/zinc/72/97/81/678729781.db2.gz BIZNFYFWSBEBMD-ZDUSSCGKSA-N 2 0 268.380 1.674 10 0 CDAERP C[C@@H]([NH2+]CCC[C@@H]1CCOC1=O)C1CC[NH+](C)CC1 ZINC000872118188 678730279 /nfs/dbraw/zinc/73/02/79/678730279.db2.gz VHFCRKUDCMEXPG-TZMCWYRMSA-N 2 0 268.401 1.650 10 0 CDAERP CC1(C)[C@@H]([NH3+])c2ccccc2N1C(=O)C[C@H]1COCC[NH2+]1 ZINC000867988763 678747364 /nfs/dbraw/zinc/74/73/64/678747364.db2.gz UAVJMWDBPPUUIN-NHYWBVRUSA-N 2 0 289.379 1.190 10 0 CDAERP [NH3+]CCCCCC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000843474761 678818933 /nfs/dbraw/zinc/81/89/33/678818933.db2.gz UYZKNEGCFRDOMT-AWEZNQCLSA-N 2 0 253.390 1.108 10 0 CDAERP C[N@H+](CCO[C@H]1CCOC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000724927014 678820736 /nfs/dbraw/zinc/82/07/36/678820736.db2.gz VXBKXDUMYJYUCE-PIGZVRMJSA-N 2 0 254.374 1.007 10 0 CDAERP CC1(C)[C@H]([NH2+]CC2(N3CCOCC3)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925653355 678827550 /nfs/dbraw/zinc/82/75/50/678827550.db2.gz XHKSNHDHZWNWAE-QLFBSQMISA-N 2 0 293.455 1.217 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(C)C[C@]1(C)CCC[NH2+]C1 ZINC000092633619 678828181 /nfs/dbraw/zinc/82/81/81/678828181.db2.gz MVPGLHKCJMSQRQ-LSDHHAIUSA-N 2 0 253.434 1.792 10 0 CDAERP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)C1(O)CCCC1)C2 ZINC000930602517 678830916 /nfs/dbraw/zinc/83/09/16/678830916.db2.gz VTMMOLASKQZVPH-LSDHHAIUSA-N 2 0 282.428 1.070 10 0 CDAERP CN1CCC[NH+]=C1NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000849007931 678852246 /nfs/dbraw/zinc/85/22/46/678852246.db2.gz FLMMUXZXHPNOCE-UHFFFAOYSA-N 2 0 278.375 1.668 10 0 CDAERP CC(C)(C)[C@@H](CN)[NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923367590 678857285 /nfs/dbraw/zinc/85/72/85/678857285.db2.gz IHPLEVYEFXOIAV-WTUNAVPPSA-N 2 0 253.434 1.870 10 0 CDAERP C[C@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)C1CC[NH+](C)CC1 ZINC000866413081 678859717 /nfs/dbraw/zinc/85/97/17/678859717.db2.gz FZJZTBCBETVEIX-ZFWWWQNUSA-N 2 0 283.460 1.152 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)C2CC([NH3+])C2)CC1 ZINC000703495007 678860478 /nfs/dbraw/zinc/86/04/78/678860478.db2.gz MUFSJMLVLGVRLK-UHFFFAOYSA-N 2 0 267.417 1.304 10 0 CDAERP CC[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)C1(C(=O)OC)CCC1 ZINC000925797585 678860752 /nfs/dbraw/zinc/86/07/52/678860752.db2.gz OWIGPEDBGPAJJZ-MCIONIFRSA-N 2 0 282.428 1.944 10 0 CDAERP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925857203 678863069 /nfs/dbraw/zinc/86/30/69/678863069.db2.gz YZTSFXSKQOHNTH-MCIONIFRSA-N 2 0 280.412 1.840 10 0 CDAERP CCCNC(=O)C1([NH2+]CCC[NH2+]C2CC2)CCCCC1 ZINC000923317231 678896671 /nfs/dbraw/zinc/89/66/71/678896671.db2.gz CIMZFGOPZFEXLU-UHFFFAOYSA-N 2 0 281.444 1.947 10 0 CDAERP NC(=O)c1ccc(CC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000866665861 678917678 /nfs/dbraw/zinc/91/76/78/678917678.db2.gz JEMXNBGYZKRAOT-CABCVRRESA-N 2 0 273.380 1.012 10 0 CDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(F)nc2)CC1 ZINC000189339214 678924823 /nfs/dbraw/zinc/92/48/23/678924823.db2.gz FLRFSRJCCDFELL-CYBMUJFWSA-N 2 0 295.402 1.745 10 0 CDAERP C[N@H+](CCCC[NH+]1CCCCC1)C[C@@H](O)C1(O)CCCC1 ZINC000931703252 678952894 /nfs/dbraw/zinc/95/28/94/678952894.db2.gz HYOVDMCZEIHTTF-MRXNPFEDSA-N 2 0 298.471 1.850 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000928834940 678968165 /nfs/dbraw/zinc/96/81/65/678968165.db2.gz IMXYPVCNYLZYPD-OAHLLOKOSA-N 2 0 292.427 1.532 10 0 CDAERP CCOCCOCC[N@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000929781712 678969397 /nfs/dbraw/zinc/96/93/97/678969397.db2.gz KFFFMKUXHZVCNQ-ZIAGYGMSSA-N 2 0 258.406 1.454 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCCCCC[NH3+])[C@H](C)C1 ZINC000831267895 678971504 /nfs/dbraw/zinc/97/15/04/678971504.db2.gz RNFCXILVFPLJTA-HUUCEWRRSA-N 2 0 298.475 1.877 10 0 CDAERP Cc1nc2n(n1)C[C@@H]([NH2+][C@H]1[C@@H]3CCC[NH2+][C@@H]3C1(C)C)CC2 ZINC000925575967 678977106 /nfs/dbraw/zinc/97/71/06/678977106.db2.gz HWPZGLQYBSZRPR-NEBZKDRISA-N 2 0 289.427 1.268 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000852869540 679000509 /nfs/dbraw/zinc/00/05/09/679000509.db2.gz CLDUTVIPEOCQMX-INIZCTEOSA-N 2 0 291.439 1.773 10 0 CDAERP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC000925825475 679008187 /nfs/dbraw/zinc/00/81/87/679008187.db2.gz FAYGLCAWERMPQT-KGLIPLIRSA-N 2 0 282.428 1.558 10 0 CDAERP OCC1(C[NH2+][C@H]2CC[NH2+]C23CCCC3)CCCC1 ZINC000925641170 679010002 /nfs/dbraw/zinc/01/00/02/679010002.db2.gz LCJZRLCUNZONLL-ZDUSSCGKSA-N 2 0 252.402 1.803 10 0 CDAERP CC[C@H](C[C@](C)(O)CC)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000926202403 679010010 /nfs/dbraw/zinc/01/00/10/679010010.db2.gz LEUKGOFMGZFEDM-BRWVUGGUSA-N 2 0 299.503 1.932 10 0 CDAERP CS(=O)(=O)C1CCC(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000925800465 679029250 /nfs/dbraw/zinc/02/92/50/679029250.db2.gz RXKKYIKMGBHABI-DKNRTOFZSA-N 2 0 288.457 1.449 10 0 CDAERP CC(C)(CN[C@@H]1CC[NH2+]C12CCC2)C[NH+]1CCCC1 ZINC000925651255 679042773 /nfs/dbraw/zinc/04/27/73/679042773.db2.gz YYPJWKNSWLKADY-CQSZACIVSA-N 2 0 265.445 1.983 10 0 CDAERP Cc1nc2c(cccc2CC[NH2+][C@@H](C)C2C[NH2+]C2)o1 ZINC000925840713 679062803 /nfs/dbraw/zinc/06/28/03/679062803.db2.gz WKAAIPJBIHONNU-JTQLQIEISA-N 2 0 259.353 1.876 10 0 CDAERP CC1(C)[C@H]([NH2+]CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1[NH3+] ZINC000923420274 679068185 /nfs/dbraw/zinc/06/81/85/679068185.db2.gz HKKAQMBIKVLGQF-YEKKKDRXSA-N 3 0 251.418 1.623 10 0 CDAERP CC[C@H](CN[C@H]1C[C@H]([NH3+])C12CCC2)[NH+]1CCCC1 ZINC000925606076 679077532 /nfs/dbraw/zinc/07/75/32/679077532.db2.gz LKDSPAAXEIFZKG-RDBSUJKOSA-N 2 0 251.418 1.720 10 0 CDAERP CCOC(=O)c1ncc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)s1 ZINC000923487957 679085119 /nfs/dbraw/zinc/08/51/19/679085119.db2.gz CEWJQOMOPURLRM-GHMZBOCLSA-N 2 0 297.424 1.737 10 0 CDAERP OCCCSCC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925608818 679099333 /nfs/dbraw/zinc/09/93/33/679099333.db2.gz KKESLAHQKKCTBK-LSDHHAIUSA-N 2 0 286.485 1.860 10 0 CDAERP C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)[C@H]1CC[NH2+]C1 ZINC000715570913 679108702 /nfs/dbraw/zinc/10/87/02/679108702.db2.gz GJEXKXMZIQZTCZ-HESLUPGFSA-N 3 0 253.434 1.837 10 0 CDAERP C[NH+](C)C1(C)CCC(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC000871359231 679118832 /nfs/dbraw/zinc/11/88/32/679118832.db2.gz XGKWBEUGTJNXFS-UHFFFAOYSA-N 2 0 281.444 1.707 10 0 CDAERP C[NH+](C)CCNC(=S)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000863230064 679128981 /nfs/dbraw/zinc/12/89/81/679128981.db2.gz QRZVBPHIAKBWFK-ZDUSSCGKSA-N 2 0 284.473 1.029 10 0 CDAERP NC(=O)[C@H]1CC[C@H](C[NH2+][C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000926601941 679131352 /nfs/dbraw/zinc/13/13/52/679131352.db2.gz YARVMNGCJRAIRV-FPCVCCKLSA-N 2 0 293.455 1.885 10 0 CDAERP CC[C@H](C)[C@@H]([NH3+])C(=O)NCCCC[NH+](CC)CC ZINC000237064428 679205178 /nfs/dbraw/zinc/20/51/78/679205178.db2.gz ODOLEVYHTMOBFP-QWHCGFSZSA-N 2 0 257.422 1.598 10 0 CDAERP COC(CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)OC ZINC000852091983 679161395 /nfs/dbraw/zinc/16/13/95/679161395.db2.gz OJURZQGHPSNDFP-AWEZNQCLSA-N 2 0 256.390 1.413 10 0 CDAERP CN1C[C@H](CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1=O ZINC000723547972 679174731 /nfs/dbraw/zinc/17/47/31/679174731.db2.gz OTSYRNNFYJPPBS-TUVASFSCSA-N 2 0 279.428 1.365 10 0 CDAERP CC(C)CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923496357 679179978 /nfs/dbraw/zinc/17/99/78/679179978.db2.gz BLPWTWNYKHCTQD-HZSPNIEDSA-N 2 0 269.433 1.454 10 0 CDAERP Cc1ccc(NCC[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)nc1 ZINC000925877810 679190064 /nfs/dbraw/zinc/19/00/64/679190064.db2.gz MEUGGXWZQCYYIB-STQMWFEESA-N 2 0 260.385 1.661 10 0 CDAERP C[C@@H](N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)C(N)=O ZINC000716717931 679198302 /nfs/dbraw/zinc/19/83/02/679198302.db2.gz LWXRUMOCUVPUEO-OEAJRASXSA-N 2 0 287.407 1.503 10 0 CDAERP C[N@@H+]1CCN(C(=O)C[C@H]2CSCC[NH2+]2)CCC1(C)C ZINC000712683901 679348464 /nfs/dbraw/zinc/34/84/64/679348464.db2.gz HNSXLEZPHHRDQD-LBPRGKRZSA-N 2 0 285.457 1.024 10 0 CDAERP CC(C)[C@H]([NH3+])CN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925689480 679350808 /nfs/dbraw/zinc/35/08/08/679350808.db2.gz AMFFOABCSCQHEG-RRFJBIMHSA-N 2 0 253.434 1.728 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NCC[NH+]1CCCCC1 ZINC000713060657 679355571 /nfs/dbraw/zinc/35/55/71/679355571.db2.gz QYWBIXQCLDZCPX-ZDUSSCGKSA-N 2 0 269.433 1.598 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000926872535 679373556 /nfs/dbraw/zinc/37/35/56/679373556.db2.gz WDXANZPDNYOQOY-PEUVFPKISA-N 2 0 264.413 1.875 10 0 CDAERP C[C@@H]1CN(C(=[NH2+])NCCC[NH2+]C(C)(C)C)CCO1 ZINC000848994055 679385532 /nfs/dbraw/zinc/38/55/32/679385532.db2.gz LDLXMDRNLMYQPO-LLVKDONJSA-N 2 0 256.394 1.010 10 0 CDAERP O=C1CCCN1CCC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925515103 679422129 /nfs/dbraw/zinc/42/21/29/679422129.db2.gz PJPFIXQWLGDIOW-HZPDHXFCSA-N 2 0 293.455 1.757 10 0 CDAERP C[N@H+](CCCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)C1CC1 ZINC000925686044 679447571 /nfs/dbraw/zinc/44/75/71/679447571.db2.gz QQXGCNYZTFOKFG-ZIAGYGMSSA-N 3 0 251.418 1.720 10 0 CDAERP Cc1c(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)ccnc1F ZINC000862327172 679450131 /nfs/dbraw/zinc/45/01/31/679450131.db2.gz ASRFFYKPNQIMOG-ZDUSSCGKSA-N 2 0 294.418 1.645 10 0 CDAERP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000713007709 679470909 /nfs/dbraw/zinc/47/09/09/679470909.db2.gz HAYZNAJCVRTWDS-UONOGXRCSA-N 2 0 283.460 1.842 10 0 CDAERP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=[NH2+])NC[C@@H]2CCCO2)C1 ZINC000848988097 679489668 /nfs/dbraw/zinc/48/96/68/679489668.db2.gz FRHBSTHFZIRVCV-KFWWJZLASA-N 2 0 296.459 1.647 10 0 CDAERP CC[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)[C@H]1CCCOC1 ZINC000872035523 679489761 /nfs/dbraw/zinc/48/97/61/679489761.db2.gz WIWWSCGSVFKXBN-IRXDYDNUSA-N 2 0 297.487 1.809 10 0 CDAERP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCC[C@H](Cc3nccs3)C2)C1 ZINC000923432406 679493340 /nfs/dbraw/zinc/49/33/40/679493340.db2.gz LZQJEZQLKCFYOL-VOAKCMCISA-N 2 0 281.425 1.248 10 0 CDAERP CN(CCC[NH2+]C1[C@@H]2CC[C@H]1C[N@@H+](C)C2)CC(F)(F)F ZINC000924676162 679509922 /nfs/dbraw/zinc/50/99/22/679509922.db2.gz QDJSSYGTCZVWHZ-FUNVUKJBSA-N 2 0 293.377 1.800 10 0 CDAERP C[C@H]([NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32)C1CC[NH+](C)CC1 ZINC000866448856 679513673 /nfs/dbraw/zinc/51/36/73/679513673.db2.gz XNNKBSAQNLYRKZ-YHDIRRJESA-N 2 0 264.413 1.730 10 0 CDAERP CCOCCC[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709798242 679517210 /nfs/dbraw/zinc/51/72/10/679517210.db2.gz GQERZXFWWPBWQS-NXEZZACHSA-N 2 0 254.296 1.482 10 0 CDAERP C[N@@H+]1CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CCC1(C)C ZINC000868169207 679522113 /nfs/dbraw/zinc/52/21/13/679522113.db2.gz SQCWCEIOBSZJTA-VIFPVBQESA-N 2 0 296.337 1.002 10 0 CDAERP C[C@@H]1CCCCN1CCC[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000716069352 679524074 /nfs/dbraw/zinc/52/40/74/679524074.db2.gz KPGHBJDQALQBOY-IYXRBSQSSA-N 2 0 288.457 1.416 10 0 CDAERP CCC[N@@H+]1CC[C@@H](NC(=O)CCC23CC(C2)C[NH2+]3)C1 ZINC000870956413 679574818 /nfs/dbraw/zinc/57/48/18/679574818.db2.gz VSAWCOKKAOCNJT-JVWICGRDSA-N 2 0 265.401 1.119 10 0 CDAERP Cc1c(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)ccnc1F ZINC000862267721 679581287 /nfs/dbraw/zinc/58/12/87/679581287.db2.gz KCFXYSUKJQGBJK-UHFFFAOYSA-N 2 0 294.418 1.645 10 0 CDAERP C[NH+]1CCC(C[NH2+]C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CC1 ZINC000720879359 679606093 /nfs/dbraw/zinc/60/60/93/679606093.db2.gz JHIYLAZSDSIUFQ-KKUMJFAQSA-N 2 0 252.402 1.875 10 0 CDAERP C[N@@H+]1CCC[C@@H](N2CCN(CCc3ccns3)CC2)C1 ZINC000929979094 679627484 /nfs/dbraw/zinc/62/74/84/679627484.db2.gz BSWFPMLLXNXZQE-CQSZACIVSA-N 2 0 294.468 1.397 10 0 CDAERP COC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)[C@@H]1CCCO1 ZINC000925651806 679637123 /nfs/dbraw/zinc/63/71/23/679637123.db2.gz ABUJPOABRTZYPR-MQYQWHSLSA-N 2 0 270.417 1.676 10 0 CDAERP C[C@@H]1COC[C@@H](C)C1[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000924647343 679641855 /nfs/dbraw/zinc/64/18/55/679641855.db2.gz JINVHJZCNXMCFU-UPJWGTAASA-N 2 0 252.402 1.731 10 0 CDAERP Cc1ccccc1OC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000923431198 679653344 /nfs/dbraw/zinc/65/33/44/679653344.db2.gz MYLLVXPEOQCIET-BZUAXINKSA-N 2 0 292.423 1.651 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001266602124 1158653259 /nfs/dbraw/zinc/65/32/59/1158653259.db2.gz VUXJJSPZEMFSEA-KKUMJFAQSA-N 2 0 281.444 1.898 10 0 CDAERP CC(C)OCCC[N@@H+]1CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001670724902 1158727880 /nfs/dbraw/zinc/72/78/80/1158727880.db2.gz RDYGBKWKTHZTEQ-HNNXBMFYSA-N 2 0 297.443 1.088 10 0 CDAERP C1C[C@H]2[C@@H](C[NH2+]1)[C@@H]2c1nc([C@@H]2C[NH+]3CCC2CC3)no1 ZINC001772538519 1158810576 /nfs/dbraw/zinc/81/05/76/1158810576.db2.gz IMHFMRQEXLESPL-UMSGYPCISA-N 2 0 274.368 1.202 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CCCF ZINC001266944062 1159005528 /nfs/dbraw/zinc/00/55/28/1159005528.db2.gz FPHSCJGPDIWFPI-ZFWWWQNUSA-N 2 0 299.434 1.847 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)CC[NH2+]Cc1ccsc1 ZINC001267458463 1159383218 /nfs/dbraw/zinc/38/32/18/1159383218.db2.gz PCYYJXMJTHDRAU-UHFFFAOYSA-N 2 0 283.441 1.638 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]CC1CC(C)C1 ZINC001267474799 1159403981 /nfs/dbraw/zinc/40/39/81/1159403981.db2.gz VKCSAAYRPQRPLC-UYSNPLJNSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CCC1 ZINC001481683529 1159874458 /nfs/dbraw/zinc/87/44/58/1159874458.db2.gz XLMUTNKTNIYKSQ-GJZGRUSLSA-N 2 0 279.428 1.412 10 0 CDAERP CCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001482354002 1160170128 /nfs/dbraw/zinc/17/01/28/1160170128.db2.gz MWJKTRFSHOPPDO-CHWSQXEVSA-N 2 0 257.422 1.563 10 0 CDAERP C[C@@H](F)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001485613811 1161279680 /nfs/dbraw/zinc/27/96/80/1161279680.db2.gz BZGULEWQOFUFNZ-TUVASFSCSA-N 2 0 299.434 1.370 10 0 CDAERP CC[C@H](C(=O)N[C@@]12CCC[C@H]1[N@@H+](C(C)C)CC2)[NH+](C)C ZINC001410922160 1161962683 /nfs/dbraw/zinc/96/26/83/1161962683.db2.gz VTSKTKHNMZQZEQ-IIAWOOMASA-N 2 0 281.444 1.848 10 0 CDAERP O=C(Nc1ccc2c[nH+]cn2c1)C12CC[NH+](CC1)C2 ZINC001636206999 1166662280 /nfs/dbraw/zinc/66/22/80/1166662280.db2.gz AJVJWTCLYDJEIH-UHFFFAOYSA-N 2 0 256.309 1.369 10 0 CDAERP CC[NH+]1CCC(C[NH2+]C[C@@H]2CCCCN2C)CC1 ZINC000054243705 1166926313 /nfs/dbraw/zinc/92/63/13/1166926313.db2.gz GXPCZBWYNQQMQP-HNNXBMFYSA-N 2 0 253.434 1.792 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)[C@@H]1CC[C@@H]2C[C@H](C)C[NH+]2C1 ZINC001646941565 1168274726 /nfs/dbraw/zinc/27/47/26/1168274726.db2.gz IFMIYAHQUWNOCV-ARFHVFGLSA-N 2 0 295.471 1.955 10 0 CDAERP CC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001566633424 1168362231 /nfs/dbraw/zinc/36/22/31/1168362231.db2.gz OQTHZUDSRMKPNW-SGFLJFKBSA-N 2 0 293.455 1.875 10 0 CDAERP CCOCC[N@H+](C)C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001566743021 1168406011 /nfs/dbraw/zinc/40/60/11/1168406011.db2.gz IHZOWGCMFHIHPK-OAHLLOKOSA-N 2 0 299.459 1.145 10 0 CDAERP CC(C)C[NH2+]CC(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC001647256899 1168495677 /nfs/dbraw/zinc/49/56/77/1168495677.db2.gz XAQILSQLZCFYRJ-ZNMIVQPWSA-N 2 0 297.443 1.119 10 0 CDAERP CN(CC[NH2+]CC1CC1)C(=O)C12CCC[NH+](CCC1)C2 ZINC001567516251 1168824366 /nfs/dbraw/zinc/82/43/66/1168824366.db2.gz NEKMZGNAXFIBLX-UHFFFAOYSA-N 2 0 279.428 1.320 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CCF)C1 ZINC001568294138 1169230312 /nfs/dbraw/zinc/23/03/12/1169230312.db2.gz UHIPLNYAWGZUMR-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NC/C=C\C[NH2+]CCC2CCCC2)C1 ZINC001568964025 1169566699 /nfs/dbraw/zinc/56/66/99/1169566699.db2.gz MXHBZTXFCZNGPM-YIEVGGLXSA-N 2 0 293.455 1.780 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C[NH2+]CC=C(C)C)[NH+](C)C ZINC001569030042 1169604005 /nfs/dbraw/zinc/60/40/05/1169604005.db2.gz ASBBYWOPNHPIED-CHWSQXEVSA-N 2 0 255.406 1.387 10 0 CDAERP CCC(CC)C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001569188632 1169712124 /nfs/dbraw/zinc/71/21/24/1169712124.db2.gz KLHNYOIABYXPHR-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@@H](C)C[NH2+]CCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001569257562 1169738242 /nfs/dbraw/zinc/73/82/42/1169738242.db2.gz HWYJDZSPQGQOJD-HUUCEWRRSA-N 2 0 283.460 1.812 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1CC ZINC001656752533 1171869240 /nfs/dbraw/zinc/86/92/40/1171869240.db2.gz JEKZBHRAPCXACA-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001662577822 1172560363 /nfs/dbraw/zinc/56/03/63/1172560363.db2.gz BPLGKXNKRMDKHR-HNNXBMFYSA-N 2 0 281.444 1.853 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001662974399 1172622564 /nfs/dbraw/zinc/62/25/64/1172622564.db2.gz GXHYGXDVAMNNHK-KBPBESRZSA-N 2 0 269.433 1.469 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001664739791 1172902614 /nfs/dbraw/zinc/90/26/14/1172902614.db2.gz COMHJBYXVTUFQH-OAHLLOKOSA-N 2 0 281.444 1.733 10 0 CDAERP CC(C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC[NH+]1CCCC1 ZINC001665433073 1172994694 /nfs/dbraw/zinc/99/46/94/1172994694.db2.gz RUPKSJYPPUMKPA-HOTGVXAUSA-N 2 0 293.455 1.946 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]CC[C@@H](C)F ZINC001666476302 1173138387 /nfs/dbraw/zinc/13/83/87/1173138387.db2.gz QNGGFTXVICDVNB-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@@H]([NH2+]CCCF)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001667351615 1173257381 /nfs/dbraw/zinc/25/73/81/1173257381.db2.gz FZFSASJFEGVLOF-HUUCEWRRSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CC[NH2+]Cc1ccccn1 ZINC001668319775 1173396374 /nfs/dbraw/zinc/39/63/74/1173396374.db2.gz KKUZSGRPBLFJKI-CQSZACIVSA-N 2 0 292.427 1.406 10 0 CDAERP C[NH+](C)C1(C(=O)NC/C=C/C[NH2+]CC2CC2)CCC1 ZINC001668860923 1173474733 /nfs/dbraw/zinc/47/47/33/1173474733.db2.gz ZVKQEXZPIRLGGZ-ONEGZZNKSA-N 2 0 265.401 1.143 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C)C1CC1 ZINC001689987167 1175334023 /nfs/dbraw/zinc/33/40/23/1175334023.db2.gz JJDAKHQQLGMQPB-HNNXBMFYSA-N 2 0 281.444 1.850 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001690421913 1175467518 /nfs/dbraw/zinc/46/75/18/1175467518.db2.gz YMLMOYPPISJUTR-AWEZNQCLSA-N 2 0 269.433 1.566 10 0 CDAERP CC[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]C(C)C ZINC001698601702 1175867977 /nfs/dbraw/zinc/86/79/77/1175867977.db2.gz DNIOYLOACDHURC-KBPBESRZSA-N 2 0 269.433 1.754 10 0 CDAERP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C[NH2+]C/C=C/Cl ZINC001698770103 1175925999 /nfs/dbraw/zinc/92/59/99/1175925999.db2.gz GHHGDIGITWXISK-UXOHQCDBSA-N 2 0 287.835 1.423 10 0 CDAERP CCCC[NH2+]C[C@H](C)CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001698775170 1175928005 /nfs/dbraw/zinc/92/80/05/1175928005.db2.gz UMNNWPHKNSRVTL-HOCLYGCPSA-N 2 0 281.444 1.614 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001698856536 1175966335 /nfs/dbraw/zinc/96/63/35/1175966335.db2.gz LIRIYXDRJSQZLY-CABCVRRESA-N 2 0 283.460 1.811 10 0 CDAERP CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001699376341 1176333963 /nfs/dbraw/zinc/33/39/63/1176333963.db2.gz YSVATGHYUMYNCA-KGLIPLIRSA-N 2 0 269.433 1.613 10 0 CDAERP CC(C)CCC[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001699391665 1176352130 /nfs/dbraw/zinc/35/21/30/1176352130.db2.gz ZWSXSFFLMPEBAI-CQSZACIVSA-N 2 0 269.433 1.613 10 0 CDAERP CCCCC[N@H+](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001699466791 1176428184 /nfs/dbraw/zinc/42/81/84/1176428184.db2.gz CPGUZUIIJBGFEW-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[NH2+]C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1CC1 ZINC001699589339 1176489988 /nfs/dbraw/zinc/48/99/88/1176489988.db2.gz IMUXRFVBKUYJET-CQSZACIVSA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)OCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H](C)C1 ZINC001699736140 1176597235 /nfs/dbraw/zinc/59/72/35/1176597235.db2.gz HJQKBOIOWGCIDC-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CC2CC2)C1 ZINC001700069105 1176737841 /nfs/dbraw/zinc/73/78/41/1176737841.db2.gz PLPFGNDXIZLLER-HOTGVXAUSA-N 2 0 293.455 1.709 10 0 CDAERP COCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001700172931 1176779951 /nfs/dbraw/zinc/77/99/51/1176779951.db2.gz UAMYAZULEJWFQX-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CCCCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001700276527 1176829514 /nfs/dbraw/zinc/82/95/14/1176829514.db2.gz HIDSOHQENKSYAB-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NC2CC(C[NH2+]CCCF)C2)CC[N@@H+]1C ZINC001700377203 1176882908 /nfs/dbraw/zinc/88/29/08/1176882908.db2.gz KFAUWRXZQZSROO-LQULJDIASA-N 2 0 299.434 1.561 10 0 CDAERP CC(C)=CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001700450500 1176937561 /nfs/dbraw/zinc/93/75/61/1176937561.db2.gz AWTGHOMVZQWGMU-KBPBESRZSA-N 2 0 267.417 1.483 10 0 CDAERP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]C/C=C\Cl ZINC001700766283 1177122132 /nfs/dbraw/zinc/12/21/32/1177122132.db2.gz FVKUQAPICKOXHB-XOIDGJRKSA-N 2 0 261.797 1.127 10 0 CDAERP CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001700852334 1177164954 /nfs/dbraw/zinc/16/49/54/1177164954.db2.gz VNOHQQIUZYCAQO-OLZOCXBDSA-N 2 0 255.406 1.317 10 0 CDAERP C[N@H+](CCCNC(=O)Cc1c[nH]cn1)CC1CC(C)(C)C1 ZINC001707405619 1178022034 /nfs/dbraw/zinc/02/20/34/1178022034.db2.gz JODJGRFSWSYHQY-UHFFFAOYSA-N 2 0 292.427 1.827 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](CC)C(C)C)CC[N@@H+]1C ZINC001707450740 1178052581 /nfs/dbraw/zinc/05/25/81/1178052581.db2.gz GNYVUTJKTOCIRI-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP C[N@H+](CCCNC(=O)CCc1c[nH]cn1)CC1CCCC1 ZINC001712951683 1178261778 /nfs/dbraw/zinc/26/17/78/1178261778.db2.gz WSABMKYFLCLIMB-UHFFFAOYSA-N 2 0 292.427 1.971 10 0 CDAERP C[C@@H](F)CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001713049119 1178329958 /nfs/dbraw/zinc/32/99/58/1178329958.db2.gz YEDDUXAHPNVRJW-KGLIPLIRSA-N 2 0 299.434 1.657 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001713245591 1178449708 /nfs/dbraw/zinc/44/97/08/1178449708.db2.gz IYWFCSQPYYJIQG-UONOGXRCSA-N 2 0 267.417 1.176 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001713453149 1178572906 /nfs/dbraw/zinc/57/29/06/1178572906.db2.gz QDGZBCGIOOAUFI-CQSZACIVSA-N 2 0 267.417 1.176 10 0 CDAERP CCC/C=C\CC[NH+]1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001713924623 1178850381 /nfs/dbraw/zinc/85/03/81/1178850381.db2.gz LXBOATBKIXSALH-PLNGDYQASA-N 2 0 293.455 1.877 10 0 CDAERP CC(C)[C@@H](C(=O)NC[C@@H](C)C[NH2+]C/C=C\Cl)[NH+](C)C ZINC001714400208 1179124096 /nfs/dbraw/zinc/12/40/96/1179124096.db2.gz VLQMWBBIAAUEDM-JSIVBPPZSA-N 2 0 289.851 1.667 10 0 CDAERP C[C@@H](C[NH2+]CCC(F)(F)F)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001714566027 1179222211 /nfs/dbraw/zinc/22/22/11/1179222211.db2.gz VJIOHSJAIDHBRE-WDEREUQCSA-N 2 0 295.349 1.470 10 0 CDAERP CN(CC[NH2+]CCF)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001714779627 1179390956 /nfs/dbraw/zinc/39/09/56/1179390956.db2.gz FPYMXAKRPASTTC-STQMWFEESA-N 2 0 273.396 1.124 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)CC[NH2+]Cc1cncc(C)c1 ZINC001714785182 1179396827 /nfs/dbraw/zinc/39/68/27/1179396827.db2.gz MBGLSPLQAZFSEQ-UHFFFAOYSA-N 2 0 292.427 1.280 10 0 CDAERP CN(CC[NH2+]CCCCCF)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001714785937 1179397179 /nfs/dbraw/zinc/39/71/79/1179397179.db2.gz KXKUHECXRKKSHL-INIZCTEOSA-N 2 0 299.434 1.660 10 0 CDAERP CCOCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001714876569 1179433251 /nfs/dbraw/zinc/43/32/51/1179433251.db2.gz AMFUUKYHLLNCPS-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCCF)[C@@H](C)C1 ZINC001715096742 1179550103 /nfs/dbraw/zinc/55/01/03/1179550103.db2.gz HISXSBZFTMGWFF-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP CCN(CC[NH2+]CCC(C)(C)C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001715724648 1179779723 /nfs/dbraw/zinc/77/97/23/1179779723.db2.gz WVEVIQXDXHBQRN-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP C[NH+](C)C1(C(=O)NC/C=C\C[NH2+]C/C=C/Cl)CCC1 ZINC001715822698 1179847671 /nfs/dbraw/zinc/84/76/71/1179847671.db2.gz CPEZIQSFZRRKCN-ZNUQQGBJSA-N 2 0 285.819 1.485 10 0 CDAERP CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001715931066 1179923864 /nfs/dbraw/zinc/92/38/64/1179923864.db2.gz AHZNNQFHKJKZRG-TZMCWYRMSA-N 2 0 267.417 1.508 10 0 CDAERP C[C@@H](C[NH2+]CCC1CC1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001715994223 1179971146 /nfs/dbraw/zinc/97/11/46/1179971146.db2.gz AWQIMYLEUGDQDC-ZDUSSCGKSA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)OCC[NH2+]C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001715999836 1179974437 /nfs/dbraw/zinc/97/44/37/1179974437.db2.gz LXWIZEWKUQCLIV-HNNXBMFYSA-N 2 0 299.459 1.238 10 0 CDAERP CC(C)C[NH2+]CC[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001716183958 1180088390 /nfs/dbraw/zinc/08/83/90/1180088390.db2.gz NPGJZVNCBASTAO-HNNXBMFYSA-N 2 0 283.460 1.859 10 0 CDAERP O=C(NC/C=C\C[NH2+]CC1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001716294786 1180146373 /nfs/dbraw/zinc/14/63/73/1180146373.db2.gz BYMSTXLPWNBBAO-OYADATRGSA-N 2 0 277.412 1.000 10 0 CDAERP CO[C@H](C)C[NH2+]CCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001716552364 1180281668 /nfs/dbraw/zinc/28/16/68/1180281668.db2.gz GGYPEARAPGKJIB-CQSZACIVSA-N 2 0 297.443 1.088 10 0 CDAERP CCCCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001716659255 1180342706 /nfs/dbraw/zinc/34/27/06/1180342706.db2.gz WAHJUAUTXCXKBH-HUUCEWRRSA-N 2 0 281.444 1.851 10 0 CDAERP CC[NH2+]CC[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001717111321 1180533086 /nfs/dbraw/zinc/53/30/86/1180533086.db2.gz QBXBNPSALRMQBP-OAHLLOKOSA-N 2 0 281.444 1.711 10 0 CDAERP CCCC[NH2+][C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001717281819 1180603323 /nfs/dbraw/zinc/60/33/23/1180603323.db2.gz RKZRACUPLNVFRP-GJZGRUSLSA-N 2 0 293.455 1.851 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001717336245 1180619889 /nfs/dbraw/zinc/61/98/89/1180619889.db2.gz FATYCTAFPFUXKT-GJZGRUSLSA-N 2 0 281.444 1.873 10 0 CDAERP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)[NH+](C)C ZINC000164346375 1180672316 /nfs/dbraw/zinc/67/23/16/1180672316.db2.gz WZZWZTSQMOEAOT-CABCVRRESA-N 2 0 281.444 1.707 10 0 CDAERP CCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001717473638 1180694974 /nfs/dbraw/zinc/69/49/74/1180694974.db2.gz UYMJQVLYCMOLKI-TZMCWYRMSA-N 2 0 267.417 1.175 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]CCC2CC2)C1 ZINC001717879500 1180909465 /nfs/dbraw/zinc/90/94/65/1180909465.db2.gz PZNLWGGTVNSIHY-GJZGRUSLSA-N 2 0 281.444 1.613 10 0 CDAERP CN(CCC[NH2+]CCF)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001723153170 1181522005 /nfs/dbraw/zinc/52/20/05/1181522005.db2.gz LZFHDNURXBTSEW-UHFFFAOYSA-N 2 0 295.402 1.769 10 0 CDAERP CC[C@H](F)C[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001723194496 1181524482 /nfs/dbraw/zinc/52/44/82/1181524482.db2.gz NIEMRCSLUNLDCT-OLZOCXBDSA-N 2 0 273.396 1.124 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CCC[NH2+]CCF ZINC001723204664 1181526337 /nfs/dbraw/zinc/52/63/37/1181526337.db2.gz TZHPTMYAPSHZLO-BETUJISGSA-N 2 0 273.396 1.267 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@H](C[NH2+]C/C=C\Cl)C1CC1 ZINC001723353241 1181543506 /nfs/dbraw/zinc/54/35/06/1181543506.db2.gz LIPTYVCSOQRUFU-ACVFHECNSA-N 2 0 285.819 1.319 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCCOC)CC1 ZINC001723594436 1181590996 /nfs/dbraw/zinc/59/09/96/1181590996.db2.gz CUZFIQZCQAVMSS-CQSZACIVSA-N 2 0 297.443 1.136 10 0 CDAERP CC[NH2+]C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001724610035 1181704508 /nfs/dbraw/zinc/70/45/08/1181704508.db2.gz DWBYNJSWJGBXGK-KGLIPLIRSA-N 2 0 269.433 1.422 10 0 CDAERP C[NH+]1CCC(CC(=O)N2CC[C@@H](CC[NH2+]CCF)C2)CC1 ZINC001724728898 1181735578 /nfs/dbraw/zinc/73/55/78/1181735578.db2.gz PCWNADNDDHEZQX-OAHLLOKOSA-N 2 0 299.434 1.516 10 0 CDAERP C[C@@H](O)C[NH2+]CCC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001725399295 1181988160 /nfs/dbraw/zinc/98/81/60/1181988160.db2.gz QNGSLHAHTLZKQL-UONOGXRCSA-N 2 0 299.459 1.116 10 0 CDAERP CC(C)COCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001725475764 1182013985 /nfs/dbraw/zinc/01/39/85/1182013985.db2.gz GEHLCPJIIVARTD-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP COCCC[NH2+][C@@H](C)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001725496855 1182025006 /nfs/dbraw/zinc/02/50/06/1182025006.db2.gz URWHPQAPVSNURS-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP COCC[NH2+][C@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001725523795 1182036416 /nfs/dbraw/zinc/03/64/16/1182036416.db2.gz NDNHCSHGNSAIII-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001731394487 1182358633 /nfs/dbraw/zinc/35/86/33/1182358633.db2.gz XALWHIBYFJANKS-UONOGXRCSA-N 2 0 267.417 1.364 10 0 CDAERP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]Cc2ccccc2)CC[N@@H+]1C ZINC001731911016 1182674871 /nfs/dbraw/zinc/67/48/71/1182674871.db2.gz KFFJQICPPYMAQL-GDBMZVCRSA-N 2 0 289.423 1.575 10 0 CDAERP CC[NH2+]CC[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001732286291 1182896118 /nfs/dbraw/zinc/89/61/18/1182896118.db2.gz DIVOQIVCKJHORV-CQSZACIVSA-N 2 0 269.433 1.565 10 0 CDAERP CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)CC[C@@H]21 ZINC001732607344 1183044951 /nfs/dbraw/zinc/04/49/51/1183044951.db2.gz NAFWOEHYRODFOB-KGLIPLIRSA-N 2 0 267.417 1.271 10 0 CDAERP CC(C)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001732691396 1183088267 /nfs/dbraw/zinc/08/82/67/1183088267.db2.gz YVPWMYOTHQINOL-HUUCEWRRSA-N 2 0 283.460 2.000 10 0 CDAERP C[C@H](CC[NH2+]CC1CC(C)C1)NC(=O)C12CC[NH+](CC1)C2 ZINC001732745940 1183105941 /nfs/dbraw/zinc/10/59/41/1183105941.db2.gz KVDOOOFUTNWVCE-SHARSMKWSA-N 2 0 293.455 1.613 10 0 CDAERP CCN(CC[NH2+]Cc1ccccc1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001732766347 1183117861 /nfs/dbraw/zinc/11/78/61/1183117861.db2.gz ATPIULWJWONGKO-INIZCTEOSA-N 2 0 289.423 1.719 10 0 CDAERP CCN(CC[NH2+]CC1CCC1)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001732794193 1183128383 /nfs/dbraw/zinc/12/83/83/1183128383.db2.gz NXBFXDAQVFQPFX-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP CCN(CC[NH2+]CCCF)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001732800720 1183130797 /nfs/dbraw/zinc/13/07/97/1183130797.db2.gz BRDISRPTBZUMHE-GJZGRUSLSA-N 2 0 299.434 1.801 10 0 CDAERP CC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001732850097 1183157599 /nfs/dbraw/zinc/15/75/99/1183157599.db2.gz PLZRLYHUHNUDPE-IDTUSYRASA-N 2 0 293.455 1.923 10 0 CDAERP O=C(NC/C=C\C[NH2+]CCC1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001732851911 1183157606 /nfs/dbraw/zinc/15/76/06/1183157606.db2.gz XQCOCVOCZGVLAG-STOZHHMFSA-N 2 0 291.439 1.390 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC[C@H](C)F ZINC001732940559 1183191542 /nfs/dbraw/zinc/19/15/42/1183191542.db2.gz BIFDUZFMZFZLBK-RWCKICOTSA-N 2 0 299.434 1.871 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]CCC(C)(C)C ZINC001733028262 1183247462 /nfs/dbraw/zinc/24/74/62/1183247462.db2.gz UWDBBWGFPAODFR-ZDUSSCGKSA-N 2 0 271.449 1.857 10 0 CDAERP CCC[NH2+]CCCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001733142870 1183305615 /nfs/dbraw/zinc/30/56/15/1183305615.db2.gz JGRONOFGFBUKGM-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CN(CCC[NH2+]CC1CC(C)(C)C1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001733143421 1183305707 /nfs/dbraw/zinc/30/57/07/1183305707.db2.gz KOCGVTRQUOOFGY-OAHLLOKOSA-N 2 0 295.471 1.812 10 0 CDAERP CCC[NH2+]C[C@@H](NC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001733176653 1183318168 /nfs/dbraw/zinc/31/81/68/1183318168.db2.gz HPPSIZYBMPYMCQ-CQSZACIVSA-N 2 0 279.428 1.509 10 0 CDAERP CCCC[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001733560143 1183466798 /nfs/dbraw/zinc/46/67/98/1183466798.db2.gz JGVMQMVZLDERQB-LSDHHAIUSA-N 2 0 293.455 1.566 10 0 CDAERP CCCCC[N@H+]1C[C@H]2CN(C(=O)C[NH+](C)CCC)C[C@H]2C1 ZINC001733580533 1183471062 /nfs/dbraw/zinc/47/10/62/1183471062.db2.gz LJVBOHKPYJCJRU-IYBDPMFKSA-N 2 0 295.471 1.909 10 0 CDAERP CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001733660139 1183492034 /nfs/dbraw/zinc/49/20/34/1183492034.db2.gz BZAGPOYMCZDIRQ-KKUMJFAQSA-N 2 0 281.444 1.565 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H](CC[NH2+]CC)C2)C1 ZINC001733661622 1183492137 /nfs/dbraw/zinc/49/21/37/1183492137.db2.gz RNOAWYJFFASSIP-HOTGVXAUSA-N 2 0 295.471 1.957 10 0 CDAERP CCC[NH2+]CC[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001733679331 1183495520 /nfs/dbraw/zinc/49/55/20/1183495520.db2.gz YUMXYSITDXKBSP-AWEZNQCLSA-N 2 0 267.417 1.320 10 0 CDAERP CC(C)[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001734555397 1183824341 /nfs/dbraw/zinc/82/43/41/1183824341.db2.gz IDWCAAACIQPFKY-STQMWFEESA-N 2 0 269.433 1.610 10 0 CDAERP C[N@H+]1CC=C(C[NH2+][C@H]2CCOC3(CCC3)C2)CC1 ZINC000392959147 1187284335 /nfs/dbraw/zinc/28/43/35/1187284335.db2.gz ZYAZRNJLHKEJFW-AWEZNQCLSA-N 2 0 250.386 1.940 10 0 CDAERP CC[C@H](C)[C@@H](C)[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC001619575991 1165647277 /nfs/dbraw/zinc/64/72/77/1165647277.db2.gz IBDSWDXPJTZFBK-QWHCGFSZSA-N 2 0 255.406 1.127 10 0 CDAERP CC(C)=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001571484224 1167597960 /nfs/dbraw/zinc/59/79/60/1167597960.db2.gz BKWZZRMAXPRCEI-HUUCEWRRSA-N 2 0 293.455 1.873 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001571484222 1167598962 /nfs/dbraw/zinc/59/89/62/1167598962.db2.gz BKWZZRMAXPRCEI-CABCVRRESA-N 2 0 293.455 1.873 10 0 CDAERP CCCCCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001567152754 1168046835 /nfs/dbraw/zinc/04/68/35/1168046835.db2.gz AKBHMVRPHFWYJE-HZPDHXFCSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001565878039 1168064810 /nfs/dbraw/zinc/06/48/10/1168064810.db2.gz CKQSDIIVJJYYAK-RBSFLKMASA-N 2 0 279.428 1.389 10 0 CDAERP C[C@@H]1C[C@H]2CC[C@H](C(=O)NCC(C)(C)[NH+](C)C)C[N@@H+]2C1 ZINC001646929714 1168262805 /nfs/dbraw/zinc/26/28/05/1168262805.db2.gz AMOMROPKDQMJFE-HZSPNIEDSA-N 2 0 281.444 1.563 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](CC2CCC2)C1 ZINC001566629256 1168362176 /nfs/dbraw/zinc/36/21/76/1168362176.db2.gz WFLXJQKHPNTTPX-CQSZACIVSA-N 2 0 267.417 1.319 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001566940729 1168475942 /nfs/dbraw/zinc/47/59/42/1168475942.db2.gz PNFLJYLNAYSILO-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[N@H+](C)CCC ZINC001272331477 912812048 /nfs/dbraw/zinc/81/20/48/912812048.db2.gz HHXNNBOVYRHCKH-ZIAGYGMSSA-N 2 0 269.433 1.613 10 0 CDAERP CC(C)=CC[NH+](CCNC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001493413766 894747691 /nfs/dbraw/zinc/74/76/91/894747691.db2.gz IXZCRIVFVLZNRF-HNNXBMFYSA-N 2 0 293.455 1.875 10 0 CDAERP CCOCCC[NH2+][C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001266689897 895837268 /nfs/dbraw/zinc/83/72/68/895837268.db2.gz AJFLZHDUJMOIOP-OKILXGFUSA-N 2 0 297.443 1.134 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@@H]1CCC[C@@H]([NH2+]CCCF)C1 ZINC001267092407 896757831 /nfs/dbraw/zinc/75/78/31/896757831.db2.gz AZBDLLPVKPSFRK-ZIAGYGMSSA-N 2 0 285.407 1.459 10 0 CDAERP CC(C)[NH2+]CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001267109363 896815106 /nfs/dbraw/zinc/81/51/06/896815106.db2.gz GUNAKALUDKWZLM-CHWSQXEVSA-N 2 0 255.406 1.316 10 0 CDAERP C[C@@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCCF ZINC001267134684 896889652 /nfs/dbraw/zinc/88/96/52/896889652.db2.gz LFIPDQWKWDHYSW-QWHCGFSZSA-N 2 0 273.396 1.315 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CCCNC(=O)CC[NH+](C)C ZINC001267173945 897003073 /nfs/dbraw/zinc/00/30/73/897003073.db2.gz DOWFXYMXSICGFR-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP C[N@H+](CCNC(=O)CC[C@@H]1CCC[NH+]1C)CC1CC1 ZINC001267200234 897128283 /nfs/dbraw/zinc/12/82/83/897128283.db2.gz ICCDKYONVJZNRT-AWEZNQCLSA-N 2 0 267.417 1.319 10 0 CDAERP C[N@H+](CCNC(=O)CC[C@H]1CCC[NH+]1C)CC1CC1 ZINC001267200235 897128605 /nfs/dbraw/zinc/12/86/05/897128605.db2.gz ICCDKYONVJZNRT-CQSZACIVSA-N 2 0 267.417 1.319 10 0 CDAERP COC(=O)N(C)CC[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000690772494 897949488 /nfs/dbraw/zinc/94/94/88/897949488.db2.gz ZOKKLKXKTWYHEL-GFCCVEGCSA-N 2 0 257.378 1.006 10 0 CDAERP CC[C@@H](F)CN(C)CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001480952160 898123680 /nfs/dbraw/zinc/12/36/80/898123680.db2.gz YGKRTDGEAISQDI-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001481123167 898934689 /nfs/dbraw/zinc/93/46/89/898934689.db2.gz OQIZYUMXXQEGQY-CVEARBPZSA-N 2 0 295.471 1.812 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCCCCF)C1 ZINC001267679135 899255351 /nfs/dbraw/zinc/25/53/51/899255351.db2.gz NOIRDIFQABJPDB-AWEZNQCLSA-N 2 0 285.407 1.268 10 0 CDAERP COCCC[NH2+]CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001481246310 899626119 /nfs/dbraw/zinc/62/61/19/899626119.db2.gz SHLVBJXXXAZLTG-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001267970507 900122918 /nfs/dbraw/zinc/12/29/18/900122918.db2.gz RZHRXYFRPIYWFI-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[NH2+]C[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001267987117 900197774 /nfs/dbraw/zinc/19/77/74/900197774.db2.gz REHOUQCWSHPNOG-JSGCOSHPSA-N 2 0 267.417 1.080 10 0 CDAERP CCC(CC)C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001481314215 900353356 /nfs/dbraw/zinc/35/33/56/900353356.db2.gz BFJFRIDDIXYCQU-CQSZACIVSA-N 2 0 269.433 1.422 10 0 CDAERP CC(C)CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001268348332 901911602 /nfs/dbraw/zinc/91/16/02/901911602.db2.gz GMWGLYLSUMAXHR-KGLIPLIRSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@](C)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001481950604 902396706 /nfs/dbraw/zinc/39/67/06/902396706.db2.gz JETYONIAFWHBRF-BBRMVZONSA-N 2 0 299.434 1.705 10 0 CDAERP CC(C)OCC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268540835 902534524 /nfs/dbraw/zinc/53/45/24/902534524.db2.gz AMZOAACAGYSDLS-XEVLESSRSA-N 2 0 297.443 1.014 10 0 CDAERP C[N@H+](CC(=O)N1CCC[C@@H]1C[NH2+]C/C=C/Cl)C1CCC1 ZINC001482058889 902571520 /nfs/dbraw/zinc/57/15/20/902571520.db2.gz NKHDRHQTAMZTTB-YOIVXCQUSA-N 2 0 299.846 1.804 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)CNC(=O)CC[NH+](C)C ZINC001482135422 902696481 /nfs/dbraw/zinc/69/64/81/902696481.db2.gz AMJKTBDLWVZELO-ZDUSSCGKSA-N 2 0 255.406 1.246 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+]CCC(F)(F)F)C1 ZINC001268625417 902839258 /nfs/dbraw/zinc/83/92/58/902839258.db2.gz HUKVLJSRMODLMX-VUDBWIFFSA-N 2 0 293.333 1.153 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH+](C)CC)CC[N@@H+]1C ZINC001268731621 903051280 /nfs/dbraw/zinc/05/12/80/903051280.db2.gz QECKTJBVANQSTP-FRRDWIJNSA-N 2 0 255.406 1.173 10 0 CDAERP CCC/C=C\CC[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001268906047 903230254 /nfs/dbraw/zinc/23/02/54/903230254.db2.gz JMSHIECAKMCINI-KJPDOMRESA-N 2 0 293.455 1.733 10 0 CDAERP CCCCC[N@@H+]1CC[C@H]1CNC(=O)Cc1cncn1C ZINC001269333159 903705870 /nfs/dbraw/zinc/70/58/70/903705870.db2.gz VCEGWMAFTYOPTO-ZDUSSCGKSA-N 2 0 278.400 1.343 10 0 CDAERP C[C@H]1C[C@H]([NH2+]CCCF)CCN1C(=O)C[NH+]1CCCC1 ZINC001269982193 904246904 /nfs/dbraw/zinc/24/69/04/904246904.db2.gz ULBQGCLXDYWUPO-UONOGXRCSA-N 2 0 285.407 1.411 10 0 CDAERP C[C@@H](C[NH2+]C/C=C/Cl)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482284458 904582776 /nfs/dbraw/zinc/58/27/76/904582776.db2.gz YEZOKPZMMHUSLE-KPYDALDBSA-N 2 0 287.835 1.516 10 0 CDAERP CCN(CC[NH2+]CCF)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001482929680 908498828 /nfs/dbraw/zinc/49/88/28/908498828.db2.gz FLQVPECDWNLINU-ZDUSSCGKSA-N 2 0 273.396 1.268 10 0 CDAERP CCC(CC)C[NH2+]CCN(CC)C(=O)C12CC[NH+](CC1)C2 ZINC001482962936 908542778 /nfs/dbraw/zinc/54/27/78/908542778.db2.gz CUDOOSCPGIEZOZ-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@@H](C[NH2+]CCF)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001483266701 910760213 /nfs/dbraw/zinc/76/02/13/910760213.db2.gz RRDZULWXSFAPMP-FZMZJTMJSA-N 2 0 291.386 1.263 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]C/C=C\Cl)CCN1C(=O)CC[NH+](C)C ZINC001483907572 915204274 /nfs/dbraw/zinc/20/42/74/915204274.db2.gz CNRQTLCECAXWOC-PWNWJAOYSA-N 2 0 287.835 1.660 10 0 CDAERP C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)C(C)(C)C1 ZINC001178710310 915604666 /nfs/dbraw/zinc/60/46/66/915604666.db2.gz ZGNRFLIRFQILSZ-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001484520259 915848092 /nfs/dbraw/zinc/84/80/92/915848092.db2.gz FIKZLPGCODJUEM-HZSPNIEDSA-N 2 0 267.417 1.175 10 0 CDAERP CC[NH2+]CC[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001484534068 915859756 /nfs/dbraw/zinc/85/97/56/915859756.db2.gz TVOVGTUOUWXZDD-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP CCCCC[NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001484897510 916252050 /nfs/dbraw/zinc/25/20/50/916252050.db2.gz MZIBYLMFBNSXPR-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP CCC[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001485180705 916631251 /nfs/dbraw/zinc/63/12/51/916631251.db2.gz GBSGMBBHUMJZAD-STQMWFEESA-N 2 0 269.433 1.754 10 0 CDAERP CCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001495814147 936388734 /nfs/dbraw/zinc/38/87/34/936388734.db2.gz OIAHLORUUJVZSE-UONOGXRCSA-N 2 0 269.433 1.613 10 0 CDAERP C[C@H](NC(=O)CC[NH+](C)C)C1C[NH+](CCCC2CCC2)C1 ZINC001409938769 919146248 /nfs/dbraw/zinc/14/62/48/919146248.db2.gz LAVHJOCPJAZJIG-AWEZNQCLSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001406393935 919331450 /nfs/dbraw/zinc/33/14/50/919331450.db2.gz AAVVXYAPSIMIPO-FRRDWIJNSA-N 2 0 275.412 1.415 10 0 CDAERP C[C@H](C[NH2+]CCO)N(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001568288774 1169225800 /nfs/dbraw/zinc/22/58/00/1169225800.db2.gz OBZYHJXFKQKPIM-CQSZACIVSA-N 2 0 299.459 1.070 10 0 CDAERP CCN(CC[NH2+]CCCF)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001273540250 920546807 /nfs/dbraw/zinc/54/68/07/920546807.db2.gz HIKXODBNSDQEDV-UHFFFAOYSA-N 2 0 287.423 1.659 10 0 CDAERP C[C@@H](CN(C)C(=O)C12CCC[NH+](CCC1)C2)[NH2+]CCF ZINC001485890632 920548693 /nfs/dbraw/zinc/54/86/93/920548693.db2.gz AVJKBYOOBHYSKW-ZDUSSCGKSA-N 2 0 285.407 1.268 10 0 CDAERP C[C@H](CN(C)C(=O)C1CC[NH+](C)CC1)[NH2+]CC1CCCC1 ZINC001485920008 920576002 /nfs/dbraw/zinc/57/60/02/920576002.db2.gz PRDRKFKBHJRKBP-CQSZACIVSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]CC[C@@H]1CCCO1 ZINC001485962196 920630813 /nfs/dbraw/zinc/63/08/13/920630813.db2.gz WNQHZLDLTPIOCS-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP C[C@H]1[C@H]([NH2+]CCCF)CCN1C(=O)C[NH+]1CCCC1 ZINC001486094514 920694086 /nfs/dbraw/zinc/69/40/86/920694086.db2.gz BRYAEOFWEILUNC-QWHCGFSZSA-N 2 0 271.380 1.021 10 0 CDAERP CC(C)[N@H+]1CC=C(CNC(=O)CCCC[NH+](C)C)CC1 ZINC001486519572 921096682 /nfs/dbraw/zinc/09/66/82/921096682.db2.gz PVZSVZJSNIVFPE-UHFFFAOYSA-N 2 0 281.444 1.875 10 0 CDAERP COC(=O)N1CCC([NH2+][C@@H](C)C2CC[NH2+]CC2)CC1 ZINC000689545260 936766478 /nfs/dbraw/zinc/76/64/78/936766478.db2.gz FHKYMUCCYBIDEL-NSHDSACASA-N 2 0 269.389 1.195 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001491026453 936843864 /nfs/dbraw/zinc/84/38/64/936843864.db2.gz YRDYNJUBFZKZNQ-OKILXGFUSA-N 2 0 281.444 1.754 10 0 CDAERP C[NH+](C)CCCCC(=O)N[C@H]1C[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001491072388 936848870 /nfs/dbraw/zinc/84/88/70/936848870.db2.gz SQMPHSVCHBVQLL-ZVYZJRAXSA-N 2 0 287.835 1.708 10 0 CDAERP C[C@@H](CC[NH2+]Cc1cccnc1)NC(=O)C[NH+]1CCCC1 ZINC001273182700 923891154 /nfs/dbraw/zinc/89/11/54/923891154.db2.gz BWGZEROMTXEWEQ-AWEZNQCLSA-N 2 0 290.411 1.162 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]CCF)CC[N@@H+]1C ZINC001491250804 936883502 /nfs/dbraw/zinc/88/35/02/936883502.db2.gz UASLCFMTQXDTHJ-MGPQQGTHSA-N 2 0 285.407 1.267 10 0 CDAERP CCCC[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001491456313 936919170 /nfs/dbraw/zinc/91/91/70/936919170.db2.gz GMYKAIQUHNNEPG-JHJVBQTASA-N 2 0 255.406 1.221 10 0 CDAERP CC[C@H](C)[C@@H](C)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC001196293370 924868645 /nfs/dbraw/zinc/86/86/45/924868645.db2.gz JZZLDFDQRDJWMQ-GUTXKFCHSA-N 2 0 254.418 1.952 10 0 CDAERP CC(C)[C@@H](CCNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH2+]CCF ZINC001410269838 925482276 /nfs/dbraw/zinc/48/22/76/925482276.db2.gz SFAUFDAFRVARBA-ZBFHGGJFSA-N 2 0 299.434 1.562 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001488834281 926731653 /nfs/dbraw/zinc/73/16/53/926731653.db2.gz KVABJTKVCIKQGF-AJNGGQMLSA-N 2 0 299.434 1.703 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001489287774 926854309 /nfs/dbraw/zinc/85/43/09/926854309.db2.gz XDRPRNPUAIWEFH-OLZOCXBDSA-N 2 0 267.417 1.317 10 0 CDAERP C[NH+](C)CCCC(=O)N1C[C@H]([NH2+]CCF)C(C)(C)C1 ZINC001411005248 926878919 /nfs/dbraw/zinc/87/89/19/926878919.db2.gz WTRCJNJKXZDIDI-LBPRGKRZSA-N 2 0 273.396 1.124 10 0 CDAERP CC(C)[NH2+]C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001279181080 926907572 /nfs/dbraw/zinc/90/75/72/926907572.db2.gz DCTOEXOCMPYBSN-CABCVRRESA-N 2 0 283.460 1.811 10 0 CDAERP CCC[NH2+][C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001490709666 927293092 /nfs/dbraw/zinc/29/30/92/927293092.db2.gz KASUOISPOPLTJW-TZMCWYRMSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@H](C(=O)NC[C@H]([NH2+]CCF)C1CC1)[NH+]1CCCCCC1 ZINC001490718321 927298858 /nfs/dbraw/zinc/29/88/58/927298858.db2.gz RNHCEDVQMCWKTB-HIFRSBDPSA-N 2 0 299.434 1.705 10 0 CDAERP CCC[NH2+]C/C=C/CNC(=O)C[N@H+](C)C1CCC1 ZINC001274088374 931164155 /nfs/dbraw/zinc/16/41/55/931164155.db2.gz GUCFHARLXQNWQP-SNAWJCMRSA-N 2 0 253.390 1.143 10 0 CDAERP CCC[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001274124878 931184863 /nfs/dbraw/zinc/18/48/63/931184863.db2.gz KJEHNVCTLHPBID-CFHLNLSMSA-N 2 0 253.390 1.143 10 0 CDAERP CC1CC(C[NH2+]C/C=C\CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001274133703 931189342 /nfs/dbraw/zinc/18/93/42/931189342.db2.gz MUXXYMIPDKWJCJ-UWENSZNPSA-N 2 0 293.455 1.779 10 0 CDAERP COCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001274251476 931484999 /nfs/dbraw/zinc/48/49/99/931484999.db2.gz PAYDEIVHJSBCRT-KGLIPLIRSA-N 2 0 299.459 1.047 10 0 CDAERP C[C@H](C[NH2+]CCF)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001274753450 931568765 /nfs/dbraw/zinc/56/87/65/931568765.db2.gz SZHCNHGTUJQGHE-KGLIPLIRSA-N 2 0 299.434 1.705 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)CC[NH+](C)C)C1 ZINC001144220880 931708192 /nfs/dbraw/zinc/70/81/92/931708192.db2.gz SWGGRIQYOISGSY-KBPBESRZSA-N 2 0 269.433 1.563 10 0 CDAERP C[C@@H](C[NH2+]CCC1CC1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001275259171 931715394 /nfs/dbraw/zinc/71/53/94/931715394.db2.gz QBGCROJXDSDXJF-ZDUSSCGKSA-N 2 0 281.444 1.755 10 0 CDAERP CCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001275864788 932103173 /nfs/dbraw/zinc/10/31/73/932103173.db2.gz BSXHZJXYVXVTEG-QWHCGFSZSA-N 2 0 255.406 1.317 10 0 CDAERP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CCc1ccccc1 ZINC001448719609 932212488 /nfs/dbraw/zinc/21/24/88/932212488.db2.gz OUTNYUBZZXZTFG-OAHLLOKOSA-N 2 0 291.439 1.617 10 0 CDAERP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)CC1CCC1 ZINC001276003216 932224201 /nfs/dbraw/zinc/22/42/01/932224201.db2.gz QFKOKKGXNKGDKE-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC001412144325 932284882 /nfs/dbraw/zinc/28/48/82/932284882.db2.gz FHMFBCKNNCEKFN-GDBMZVCRSA-N 2 0 281.444 1.519 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CSCCS1 ZINC000234789790 932602196 /nfs/dbraw/zinc/60/21/96/932602196.db2.gz JDQXZMQSUBFQKV-WDEREUQCSA-N 2 0 264.460 1.179 10 0 CDAERP CC(C)[C@H]1CCC[C@@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925816579 932941681 /nfs/dbraw/zinc/94/16/81/932941681.db2.gz ZLGJGJUDQRFFMC-CABCVRRESA-N 2 0 253.434 1.824 10 0 CDAERP C[C@@H]([NH2+][C@H]1CNOC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000925866397 932948389 /nfs/dbraw/zinc/94/83/89/932948389.db2.gz BYBVCKZZVRODOE-OCCSQVGLSA-N 2 0 279.384 1.181 10 0 CDAERP CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001413000717 935156349 /nfs/dbraw/zinc/15/63/49/935156349.db2.gz HRKDVNHOBFHWON-ZNMIVQPWSA-N 2 0 281.444 1.659 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]CC2(CO)CCCCC2)C12CCC2 ZINC000405207660 940974857 /nfs/dbraw/zinc/97/48/57/940974857.db2.gz BBMJFMKTSRNOHR-CHWSQXEVSA-N 2 0 252.402 1.789 10 0 CDAERP CC[C@H](C)NC(=O)CC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405330404 940981948 /nfs/dbraw/zinc/98/19/48/940981948.db2.gz ZICPIEAKWBBYNH-TUAOUCFPSA-N 2 0 253.390 1.151 10 0 CDAERP CC[N@@H+]1CCCN(C(=O)C2CC[NH+](CC(C)C)CC2)CC1 ZINC001362097270 970882249 /nfs/dbraw/zinc/88/22/49/970882249.db2.gz SOEWUHZQPSRRMB-UHFFFAOYSA-N 2 0 295.471 1.909 10 0 CDAERP CCN(CC[NH2+]CCF)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001568781505 1169473556 /nfs/dbraw/zinc/47/35/56/1169473556.db2.gz FZGVDQSLJQIJIV-AWEZNQCLSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)C[NH2+]CC[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001280173903 942421521 /nfs/dbraw/zinc/42/15/21/942421521.db2.gz ULODUBDLAANAID-HNNXBMFYSA-N 2 0 283.460 1.812 10 0 CDAERP CC[C@@H](F)C[NH2+]CC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001280187753 942422919 /nfs/dbraw/zinc/42/29/19/942422919.db2.gz ZCTRUQPANGQJDA-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)CC[N@@H+]2CC[C@@H](F)C2)CC1 ZINC001362115929 970905432 /nfs/dbraw/zinc/90/54/32/970905432.db2.gz SWLJUHGAZBENRD-CYBMUJFWSA-N 2 0 285.407 1.363 10 0 CDAERP CCCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CCO1 ZINC001280621327 942468448 /nfs/dbraw/zinc/46/84/48/942468448.db2.gz QPZOSOWXHXYLKC-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CC[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1C ZINC001281475918 942582090 /nfs/dbraw/zinc/58/20/90/942582090.db2.gz MXOVXNYMDYWNCA-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H](F)CC[NH2+]CC1CC(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001282045455 942650581 /nfs/dbraw/zinc/65/05/81/942650581.db2.gz GIXHBCCFDDDSJT-HSBZDZAISA-N 2 0 299.434 1.561 10 0 CDAERP CC[N@H+](C)[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001282497633 942724022 /nfs/dbraw/zinc/72/40/22/942724022.db2.gz PFVAVQVYROLMNW-KBPBESRZSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001284001043 943045355 /nfs/dbraw/zinc/04/53/55/943045355.db2.gz ADSIBFBBHOJONS-KGLIPLIRSA-N 2 0 269.433 1.563 10 0 CDAERP CN(C(=O)C[NH+]1CCCC1)[C@@H](C[NH2+]C/C=C/Cl)C1CC1 ZINC001277725699 943420746 /nfs/dbraw/zinc/42/07/46/943420746.db2.gz AYOAESLNBJOZHT-GBXSZLQWSA-N 2 0 299.846 1.661 10 0 CDAERP CCCC[NH2+][C@@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001277855683 943835023 /nfs/dbraw/zinc/83/50/23/943835023.db2.gz XZPRIGCTQMCXHS-KBPBESRZSA-N 2 0 271.449 1.809 10 0 CDAERP CC[C@H](F)C[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001265001412 944198405 /nfs/dbraw/zinc/19/84/05/944198405.db2.gz WEWAISLFTPKBHM-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001265670075 944464751 /nfs/dbraw/zinc/46/47/51/944464751.db2.gz LCJSMFUDFZWDOB-CVEARBPZSA-N 2 0 293.455 1.709 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]CCCF)C2)CC[N@@H+]1C ZINC001265979865 944612353 /nfs/dbraw/zinc/61/23/53/944612353.db2.gz VLSCLXBKTOYKQQ-HZSPNIEDSA-N 2 0 285.407 1.124 10 0 CDAERP CCOCC[N@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001266120462 944692127 /nfs/dbraw/zinc/69/21/27/944692127.db2.gz ZQKBJQUHJWWYKO-HNNXBMFYSA-N 2 0 297.443 1.042 10 0 CDAERP CC[C@H](C)C[NH2+]C/C=C\CNC(=O)C1([NH+](C)C)CCC1 ZINC001568862576 1169523303 /nfs/dbraw/zinc/52/33/03/1169523303.db2.gz LGZUNNKYMXPYRG-AFNCTOJWSA-N 2 0 281.444 1.779 10 0 CDAERP CC(C)C[NH2+]CC(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC001261495358 946141919 /nfs/dbraw/zinc/14/19/19/946141919.db2.gz CODONXSUIZUVAY-LBPRGKRZSA-N 2 0 253.390 1.023 10 0 CDAERP CC(C)[NH2+]C/C=C\CNC(=O)CC1CC[NH+](C)CC1 ZINC001568930828 1169553299 /nfs/dbraw/zinc/55/32/99/1169553299.db2.gz OVRZFILXUOLBKH-PLNGDYQASA-N 2 0 267.417 1.389 10 0 CDAERP CC(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001479473816 971330140 /nfs/dbraw/zinc/33/01/40/971330140.db2.gz CFODGIVVJGPSRB-LSDHHAIUSA-N 2 0 283.460 1.859 10 0 CDAERP CC[N@H+](CCCF)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001479853329 971453268 /nfs/dbraw/zinc/45/32/68/971453268.db2.gz KAMUAKVCBOHGBV-UHFFFAOYSA-N 2 0 287.423 1.516 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001278945571 948341892 /nfs/dbraw/zinc/34/18/92/948341892.db2.gz LNEJZJNQKFVKJP-RYUDHWBXSA-N 2 0 255.406 1.221 10 0 CDAERP COCC[NH2+]C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C(C)(C)C ZINC001279003455 948558863 /nfs/dbraw/zinc/55/88/63/948558863.db2.gz ZOJGLNFDRSRSMA-KBPBESRZSA-N 2 0 299.459 1.095 10 0 CDAERP C[C@H]1CN(C(=O)CC[NH+]2CC[C@H](F)C2)CC[N@@H+](C2CC2)C1 ZINC001362658367 971501952 /nfs/dbraw/zinc/50/19/52/971501952.db2.gz UHLSWEYVHHZSGP-KGLIPLIRSA-N 2 0 297.418 1.363 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001480207907 971629176 /nfs/dbraw/zinc/62/91/76/971629176.db2.gz KWMBRZVEWRSSTB-UPJWGTAASA-N 2 0 285.407 1.456 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC001362841173 971659404 /nfs/dbraw/zinc/65/94/04/971659404.db2.gz GMIIVNIFBYUQSS-KGLIPLIRSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@@H](C[NH2+]CCC1CC1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001569088454 1169640302 /nfs/dbraw/zinc/64/03/02/1169640302.db2.gz XAQMNFFNHXANBW-AWEZNQCLSA-N 2 0 281.444 1.613 10 0 CDAERP CC[N@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)CC[C@H](C)F ZINC001493020685 971925003 /nfs/dbraw/zinc/92/50/03/971925003.db2.gz GPMNWIXSUSYOPV-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP CCC[NH2+]C[C@@]1(C)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001324788599 953575227 /nfs/dbraw/zinc/57/52/27/953575227.db2.gz JWEKQHFCZHZSNA-GOEBONIOSA-N 2 0 281.444 1.566 10 0 CDAERP COCCN(C)C[C@@H](O)C[N@@H+]1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001363843303 953902120 /nfs/dbraw/zinc/90/21/20/953902120.db2.gz WBBIZSOZQGVDLP-BBWFWOEESA-N 2 0 296.455 1.436 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@@H](C[NH2+]CC=C(C)C)C1 ZINC001325581786 953970833 /nfs/dbraw/zinc/97/08/33/953970833.db2.gz ODBJQSSWOWUQSD-HOTGVXAUSA-N 2 0 295.471 1.979 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)NC[C@H]2CCCC[NH+](C)C2)C1 ZINC001363989524 954104779 /nfs/dbraw/zinc/10/47/79/954104779.db2.gz GBZAWNSNQOOIKE-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@H+](C)[C@H]1CCN(C(=O)C2C[NH+](C3CCCCC3)C2)C1 ZINC001364015244 954126354 /nfs/dbraw/zinc/12/63/54/954126354.db2.gz PTIXDOHGFVIVAS-INIZCTEOSA-N 2 0 293.455 1.804 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CC[C@@H]([NH+]3CCC3)C2)C1 ZINC001364087984 954189116 /nfs/dbraw/zinc/18/91/16/954189116.db2.gz OBOMEIFGXTXJFI-RRFJBIMHSA-N 2 0 279.428 1.413 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)NCCCC[NH3+] ZINC001327325616 954828323 /nfs/dbraw/zinc/82/83/23/954828323.db2.gz YQJSZCCMTWNNFJ-UHFFFAOYSA-N 2 0 258.410 1.002 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001421614177 955433232 /nfs/dbraw/zinc/43/32/32/955433232.db2.gz WMWQNANOIDSZAL-RBSFLKMASA-N 2 0 299.434 1.847 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](C[NH2+]CCC3CC3)C2)C1 ZINC001491856538 955472553 /nfs/dbraw/zinc/47/25/53/955472553.db2.gz NOCMQFSRDUQLFM-HUUCEWRRSA-N 2 0 279.428 1.176 10 0 CDAERP CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001422063204 955726407 /nfs/dbraw/zinc/72/64/07/955726407.db2.gz RGXYTWNEAAMDTR-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001422158225 955798015 /nfs/dbraw/zinc/79/80/15/955798015.db2.gz NGPHYFOKDLRZRE-GJZGRUSLSA-N 2 0 283.460 1.859 10 0 CDAERP CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001422240565 955883212 /nfs/dbraw/zinc/88/32/12/955883212.db2.gz GJJHIKRUJMKXLC-GJZGRUSLSA-N 2 0 281.444 1.519 10 0 CDAERP CCC[N@@H+]1CC[C@@H](NC(=O)N2C[C@H]3C[NH+](C)C[C@@]3(C)C2)C1 ZINC001365419400 956021412 /nfs/dbraw/zinc/02/14/12/956021412.db2.gz UWJRRMRDKZEDSZ-FMKPAKJESA-N 2 0 294.443 1.064 10 0 CDAERP CC[N@H+](C)[C@@H]1CCN(C(=O)NC[C@H]2CCCC[NH+]2C)C1 ZINC001365442397 956037394 /nfs/dbraw/zinc/03/73/94/956037394.db2.gz AUCUNBIXDIEYCT-ZIAGYGMSSA-N 2 0 282.432 1.206 10 0 CDAERP COCCC[NH2+][C@H]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001317364147 956218693 /nfs/dbraw/zinc/21/86/93/956218693.db2.gz RQJNDLLMYZDGJB-LSDHHAIUSA-N 2 0 297.443 1.136 10 0 CDAERP CCCC[C@@H](C[NH2+]CC1CC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001422692422 956257355 /nfs/dbraw/zinc/25/73/55/956257355.db2.gz XDNTUSBJMWJLKR-HNNXBMFYSA-N 2 0 293.455 1.757 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)C1 ZINC001363447657 972174621 /nfs/dbraw/zinc/17/46/21/972174621.db2.gz NFPYNKIGSPRRSG-CAOSSQGBSA-N 2 0 293.455 1.659 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001365836866 956398913 /nfs/dbraw/zinc/39/89/13/956398913.db2.gz YMSSHIJRNFIPLJ-IHRRRGAJSA-N 2 0 299.434 1.703 10 0 CDAERP CN(CCF)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001365910550 956439666 /nfs/dbraw/zinc/43/96/66/956439666.db2.gz VTIFXTXGCXDBIJ-KGLIPLIRSA-N 2 0 285.407 1.221 10 0 CDAERP CC(C)CC[NH2+][C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001366056100 956537769 /nfs/dbraw/zinc/53/77/69/956537769.db2.gz DCAIUUYLEUUBRI-GDBMZVCRSA-N 2 0 295.471 1.859 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001366099979 956559551 /nfs/dbraw/zinc/55/95/51/956559551.db2.gz UFKSXCMWADCRTP-OCCSQVGLSA-N 2 0 285.407 1.267 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH2+]C/C=C/Cl)C2)C1 ZINC001366097228 956560629 /nfs/dbraw/zinc/56/06/29/956560629.db2.gz DXEPPEDDERBWKJ-USIDBCOTSA-N 2 0 285.819 1.271 10 0 CDAERP C[C@H](CCC[NH2+]CCF)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001330914784 956702271 /nfs/dbraw/zinc/70/22/71/956702271.db2.gz HTDLMEXUHBZFRC-CHWSQXEVSA-N 2 0 273.396 1.172 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCCF ZINC001423355367 956735861 /nfs/dbraw/zinc/73/58/61/956735861.db2.gz SIOHUOYGVNLZBV-GASCZTMLSA-N 2 0 299.434 1.752 10 0 CDAERP Cc1cccnc1C[NH2+][C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001366356512 956769191 /nfs/dbraw/zinc/76/91/91/956769191.db2.gz IEQZOLYDIDNXCW-CQSZACIVSA-N 2 0 290.411 1.080 10 0 CDAERP C[C@H](F)CC[NH2+][C@@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001366363737 956771143 /nfs/dbraw/zinc/77/11/43/956771143.db2.gz MFKMEBULJOBXPW-KBPBESRZSA-N 2 0 287.423 1.705 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]C/C=C/Cl ZINC001366370877 956776475 /nfs/dbraw/zinc/77/64/75/956776475.db2.gz YGHXVEZGHIRBNW-FRNKVXGRSA-N 2 0 287.835 1.708 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001366404699 956797194 /nfs/dbraw/zinc/79/71/94/956797194.db2.gz BRNJXWFWRHQQLL-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP CC1CC(C[NH+]2CC(NC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001494401141 972226418 /nfs/dbraw/zinc/22/64/18/972226418.db2.gz DTPKUTNTXPZSDP-XUJLQICISA-N 2 0 293.455 1.707 10 0 CDAERP COCCCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C ZINC001316799645 957021576 /nfs/dbraw/zinc/02/15/76/957021576.db2.gz HKOZKDQDOIJFDG-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@@H](C[NH2+]CC2CCC2)C1 ZINC001423944765 957046830 /nfs/dbraw/zinc/04/68/30/957046830.db2.gz FVLHMANJEODUOY-HOCLYGCPSA-N 2 0 295.471 1.812 10 0 CDAERP CC[C@@H](F)C[N@H+](CC)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001366640172 957071073 /nfs/dbraw/zinc/07/10/73/957071073.db2.gz UDXFUPIAUOBJJG-CYBMUJFWSA-N 2 0 285.407 1.268 10 0 CDAERP CC[C@H](C(=O)N1CCC([C@@H](C)[NH2+]CCF)CC1)[NH+](C)C ZINC001366782686 957184870 /nfs/dbraw/zinc/18/48/70/957184870.db2.gz MWIMCWBVZQMGKJ-TZMCWYRMSA-N 2 0 287.423 1.513 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC=C(C)C)C1 ZINC001316991817 957189768 /nfs/dbraw/zinc/18/97/68/957189768.db2.gz LNKOYOXQWQJNNP-CQSZACIVSA-N 2 0 267.417 1.485 10 0 CDAERP CC[C@H](C(=O)NCC[C@H]1CC[N@H+](CC2CCC2)C1)[NH+](C)C ZINC001366850246 957223827 /nfs/dbraw/zinc/22/38/27/957223827.db2.gz GVIKIARMYKWFMB-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP CCCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001424518262 957259324 /nfs/dbraw/zinc/25/93/24/957259324.db2.gz ZCUJRBNZVPTLNS-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCC1=CCCCC1 ZINC001317288115 957405935 /nfs/dbraw/zinc/40/59/35/957405935.db2.gz FPFZBKCPGXTCCF-ZBFHGGJFSA-N 2 0 293.455 1.923 10 0 CDAERP CC(C)OCC[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001425011465 957443972 /nfs/dbraw/zinc/44/39/72/957443972.db2.gz NJCXLTMWWBOSTC-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP C[N@H+](CCC(F)(F)F)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC001332334537 957517780 /nfs/dbraw/zinc/51/77/80/957517780.db2.gz LFSNNHPMQZVAEL-SECBINFHSA-N 2 0 252.280 1.249 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H]2C[NH+](CCF)C[C@H]2C1 ZINC001425384126 957524297 /nfs/dbraw/zinc/52/42/97/957524297.db2.gz QFTNFEJPAYNOKI-RRFJBIMHSA-N 2 0 299.434 1.514 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2[C@H]3C[NH+](CC4CC4)C[C@H]32)C1 ZINC001425383305 957524810 /nfs/dbraw/zinc/52/48/10/957524810.db2.gz SQJZQYNQBUTXPB-YHUYYLMFSA-N 2 0 291.439 1.032 10 0 CDAERP CC(C)=CC[NH+]1CC(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001494625195 972272255 /nfs/dbraw/zinc/27/22/55/972272255.db2.gz FUZVHKRWQJJNJX-HNNXBMFYSA-N 2 0 281.444 1.587 10 0 CDAERP CCC(CC)C[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001317597160 957590736 /nfs/dbraw/zinc/59/07/36/957590736.db2.gz BDPXVTWKGZWHAX-ZIAGYGMSSA-N 2 0 292.427 1.997 10 0 CDAERP CC[C@@H](C(=O)N(C)CC[NH2+]CC[C@H]1CCCCO1)[NH+](C)C ZINC001317631268 957610927 /nfs/dbraw/zinc/61/09/27/957610927.db2.gz XAOFDTTVOQELBM-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP CN(CC[NH2+]CCCF)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001317644176 957617989 /nfs/dbraw/zinc/61/79/89/957617989.db2.gz UIGJKZHHUPWABD-UONOGXRCSA-N 2 0 285.407 1.411 10 0 CDAERP C[NH+](C)CCC(=O)N[C@]12CCC[C@@H]1[N@H+](C/C=C\Cl)CC2 ZINC001425892346 957637281 /nfs/dbraw/zinc/63/72/81/957637281.db2.gz AJMAIEZHJQMEQQ-JHOFYLHESA-N 2 0 299.846 1.804 10 0 CDAERP CC(C)CC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C ZINC001425965461 957651906 /nfs/dbraw/zinc/65/19/06/957651906.db2.gz ASXCPLNOCCYAFH-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP C(C[N@@H+]1CCCC2(CC[NH2+]CC2)C1)O[C@H]1CCOC1 ZINC001332816872 957857126 /nfs/dbraw/zinc/85/71/26/957857126.db2.gz XWRSJMPJAQDOQP-AWEZNQCLSA-N 2 0 268.401 1.258 10 0 CDAERP CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001367422536 958006756 /nfs/dbraw/zinc/00/67/56/958006756.db2.gz GSPIFJMEEBAIKQ-KKUMJFAQSA-N 2 0 283.460 1.857 10 0 CDAERP CCCCCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001318277129 958013064 /nfs/dbraw/zinc/01/30/64/958013064.db2.gz WRNXNEFBRFALRN-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP CCOCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001318414679 958090894 /nfs/dbraw/zinc/09/08/94/958090894.db2.gz VGMQEHCNHJDZTG-CABCVRRESA-N 2 0 299.459 1.142 10 0 CDAERP CC[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CCCF ZINC001318531707 958160172 /nfs/dbraw/zinc/16/01/72/958160172.db2.gz WPMCNEAUBBCHCN-LBPRGKRZSA-N 2 0 273.396 1.315 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]CCC(C)(C)C ZINC001319106785 958378315 /nfs/dbraw/zinc/37/83/15/958378315.db2.gz MRKISIPHILOUTM-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H](C[N@H+](C)CC1CCC1)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001367839398 958422296 /nfs/dbraw/zinc/42/22/96/958422296.db2.gz WPFQXDSLHYHMTD-KBPBESRZSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H](C[N@H+](C)CC1CC(C)C1)NC(=O)C[NH+]1CCCC1 ZINC001367855420 958434995 /nfs/dbraw/zinc/43/49/95/958434995.db2.gz KPFZOOQPQGJBJV-SLTAFYQDSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)C[C@H](C[NH2+]CCF)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001319609657 958653846 /nfs/dbraw/zinc/65/38/46/958653846.db2.gz NLVMISYWFXDKCG-MGPQQGTHSA-N 2 0 287.423 1.417 10 0 CDAERP O=C(N1CCCC[C@H]1CC[NH2+]CCF)C12CC[NH+](CC1)C2 ZINC001319787083 958726195 /nfs/dbraw/zinc/72/61/95/958726195.db2.gz DMUKTPKQJBTKKZ-AWEZNQCLSA-N 2 0 297.418 1.413 10 0 CDAERP O=C(N1CCCC[C@@H]1CC[NH2+]CCF)C12CC[NH+](CC1)C2 ZINC001319787084 958726961 /nfs/dbraw/zinc/72/69/61/958726961.db2.gz DMUKTPKQJBTKKZ-CQSZACIVSA-N 2 0 297.418 1.413 10 0 CDAERP CC[N@H+](C)CCCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001368545364 958951965 /nfs/dbraw/zinc/95/19/65/958951965.db2.gz CKRXZBJAXXLNRH-LSDHHAIUSA-N 2 0 281.444 1.804 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cncs1 ZINC001368898550 959236247 /nfs/dbraw/zinc/23/62/47/959236247.db2.gz VPJQDQWFXGMHBO-NEPJUHHUSA-N 2 0 298.456 1.468 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001321895338 960006342 /nfs/dbraw/zinc/00/63/42/960006342.db2.gz FCNZJBZIOOXNQM-KGLIPLIRSA-N 2 0 299.434 1.705 10 0 CDAERP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)CC1 ZINC001335941325 960111345 /nfs/dbraw/zinc/11/13/45/960111345.db2.gz GOBUCSUCGUJCAP-APIJFGDWSA-N 2 0 268.401 1.206 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001370652524 960175939 /nfs/dbraw/zinc/17/59/39/960175939.db2.gz XLPJULWCTNXZLR-FQUUOJAGSA-N 2 0 287.423 1.558 10 0 CDAERP CC[NH2+][C@H](C)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001371365890 972489672 /nfs/dbraw/zinc/48/96/72/972489672.db2.gz UHMPZJUGTVYKHD-BXUZGUMPSA-N 2 0 273.396 1.313 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]C/C=C/Cl)C2CC2)C1 ZINC001323109416 960460320 /nfs/dbraw/zinc/46/03/20/960460320.db2.gz SDSXRGHJYXIMSG-MFNRBIAXSA-N 2 0 285.819 1.175 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+]2CC[C@H](F)C2)[C@H](C)C1 ZINC001433724391 960560890 /nfs/dbraw/zinc/56/08/90/960560890.db2.gz IBWPPXVAGYSNMY-ILXRZTDVSA-N 2 0 299.434 1.609 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001323358280 960672259 /nfs/dbraw/zinc/67/22/59/960672259.db2.gz RZRLKEPUIMYGMR-CQSZACIVSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001418656776 960855885 /nfs/dbraw/zinc/85/58/85/960855885.db2.gz IOGMMHVVVGGFCU-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001418706992 960927257 /nfs/dbraw/zinc/92/72/57/960927257.db2.gz XUXNMPGZTVYLGS-KBUPBQIOSA-N 2 0 299.434 1.561 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CCNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001418912919 961153728 /nfs/dbraw/zinc/15/37/28/961153728.db2.gz JANYJQXPAJQCKR-HUUCEWRRSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@H](C(=O)NCC1C[NH+](CC[C@@H](C)F)C1)[NH+](C)C ZINC001419021192 961269756 /nfs/dbraw/zinc/26/97/56/961269756.db2.gz UVVWMAAEVGIBTG-DGCLKSJQSA-N 2 0 273.396 1.123 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC[C@H](C)F)C2)CC[N@@H+]1C ZINC001419402650 961660877 /nfs/dbraw/zinc/66/08/77/961660877.db2.gz ZYCOVNJWZZNMDB-YYFQZIEXSA-N 2 0 299.434 1.702 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccsc2)C1 ZINC001419493370 961759304 /nfs/dbraw/zinc/75/93/04/961759304.db2.gz WRKLJJYKBCYVMM-BETUJISGSA-N 2 0 281.425 1.437 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+]Cc1cncc(F)c1 ZINC001419886416 962200053 /nfs/dbraw/zinc/20/00/53/962200053.db2.gz ZWLODQWJVPXUPJ-GFCCVEGCSA-N 2 0 296.390 1.157 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CC2CCCC2)C1 ZINC001420015563 962375803 /nfs/dbraw/zinc/37/58/03/962375803.db2.gz NKAPEJAOBBVOOO-INIZCTEOSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001436834033 962449554 /nfs/dbraw/zinc/44/95/54/962449554.db2.gz POQLVHKAZCHIDR-JKSUJKDBSA-N 2 0 295.471 2.000 10 0 CDAERP C[C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]C/C=C/Cl ZINC001420069242 962449985 /nfs/dbraw/zinc/44/99/85/962449985.db2.gz ROIIFYKTCSPAFM-SQMDOARZSA-N 2 0 273.808 1.318 10 0 CDAERP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]C/C=C\Cl ZINC001420086221 962461671 /nfs/dbraw/zinc/46/16/71/962461671.db2.gz ZSNIHPBMBUAJBU-SKYRXYSLSA-N 2 0 287.835 1.564 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccn2)C1 ZINC001436962659 962528123 /nfs/dbraw/zinc/52/81/23/962528123.db2.gz FNPORBVDIJZINL-GASCZTMLSA-N 2 0 290.411 1.160 10 0 CDAERP CO[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001436963053 962528329 /nfs/dbraw/zinc/52/83/29/962528329.db2.gz BLTMXCNMXAAVFU-MELADBBJSA-N 2 0 299.459 1.236 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001437009796 962555162 /nfs/dbraw/zinc/55/51/62/962555162.db2.gz ZQPFDUONNQGRRV-HUUCEWRRSA-N 2 0 283.460 1.812 10 0 CDAERP C[C@@H](CN(C)C/C=C\Cl)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001420567893 963071937 /nfs/dbraw/zinc/07/19/37/963071937.db2.gz KKLWJWXRGGBTDR-AXSLOVRESA-N 2 0 287.835 1.516 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001437724885 963146330 /nfs/dbraw/zinc/14/63/30/963146330.db2.gz SIAVGPAYVAZNGB-GJZGRUSLSA-N 2 0 283.460 1.812 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)CC1CCOCC1)[NH+](C)C ZINC001420663385 963168661 /nfs/dbraw/zinc/16/86/61/963168661.db2.gz RPHXZBBSFFAZSV-DZGCQCFKSA-N 2 0 299.459 1.190 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NCC[NH+](CCC(C)(C)C)C2CC2)C1 ZINC001437817744 963196989 /nfs/dbraw/zinc/19/69/89/963196989.db2.gz HWNCAEWJURQDAB-CQSZACIVSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[NH2+][C@@H](C)C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001437854840 963212078 /nfs/dbraw/zinc/21/20/78/963212078.db2.gz LGZMFOTYNAZVNY-AWEZNQCLSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@H]([NH2+]CCF)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001437855212 963212467 /nfs/dbraw/zinc/21/24/67/963212467.db2.gz MCINTDQOJZIDJW-GXTWGEPZSA-N 2 0 285.407 1.124 10 0 CDAERP CCCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCC)C1 ZINC001437898246 963228272 /nfs/dbraw/zinc/22/82/72/963228272.db2.gz BCTXVPXPGDNUPK-HUUCEWRRSA-N 2 0 281.444 1.661 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CCNC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001437943961 963248894 /nfs/dbraw/zinc/24/88/94/963248894.db2.gz BTEHAAYOCFNSCM-RDJZCZTQSA-N 2 0 293.455 1.709 10 0 CDAERP Cc1cnc(C[NH2+]C[C@@H](C)CNC(=O)C[N@H+](C)C(C)C)o1 ZINC001438545544 963481565 /nfs/dbraw/zinc/48/15/65/963481565.db2.gz CDKXEEYWFSJZRG-GFCCVEGCSA-N 2 0 296.415 1.165 10 0 CDAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]Cc1ccccn1 ZINC001438558420 963485860 /nfs/dbraw/zinc/48/58/60/963485860.db2.gz UHUXCHUGUQKATM-CQSZACIVSA-N 2 0 290.411 1.019 10 0 CDAERP Cc1ncc(C[NH2+]C[C@@H](C)N(C)C(=O)CCC[NH+](C)C)o1 ZINC001438675461 963522622 /nfs/dbraw/zinc/52/26/22/963522622.db2.gz RBFQIOUIVNRODU-GFCCVEGCSA-N 2 0 296.415 1.261 10 0 CDAERP CC(C)C[C@@H](C[NH2+]C(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001438743279 963539209 /nfs/dbraw/zinc/53/92/09/963539209.db2.gz SAOMGMVGMUJKPP-AWEZNQCLSA-N 2 0 281.444 1.611 10 0 CDAERP CCCC[N@@H+]1CC[C@H](N(CC)C(=O)C[NH+]2CCCC2)C1 ZINC001421356913 963567762 /nfs/dbraw/zinc/56/77/62/963567762.db2.gz FMTWHNGQUSIQBD-HNNXBMFYSA-N 2 0 281.444 1.805 10 0 CDAERP C[C@@H](C[N@H+](C)Cc1ccsc1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001439402519 963752131 /nfs/dbraw/zinc/75/21/31/963752131.db2.gz CEFHWUXTKGHZDB-GXTWGEPZSA-N 2 0 295.452 1.636 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001439847063 963878274 /nfs/dbraw/zinc/87/82/74/963878274.db2.gz FUKOJMNQRSAMLJ-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)CCC(=O)N1CC2(C1)CC[NH+](CCC1CC1)CC2 ZINC001440230651 963948984 /nfs/dbraw/zinc/94/89/84/963948984.db2.gz OIQXKZBSOBEFBC-UHFFFAOYSA-N 2 0 293.455 1.663 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001440313675 963980741 /nfs/dbraw/zinc/98/07/41/963980741.db2.gz ODYHFEUABZDZGW-KFWWJZLASA-N 2 0 281.444 1.469 10 0 CDAERP C[NH+](C)CCC(=O)NCC1([NH2+]C/C=C/Cl)CCC1 ZINC001440329961 963990201 /nfs/dbraw/zinc/99/02/01/963990201.db2.gz CAGYZKQKIRJFPM-XBXARRHUSA-N 2 0 273.808 1.319 10 0 CDAERP CC(C)[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001440803983 964188001 /nfs/dbraw/zinc/18/80/01/964188001.db2.gz UGZQJFBFHTXTTF-ZIAGYGMSSA-N 2 0 299.459 1.236 10 0 CDAERP CCC[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001440836348 964204300 /nfs/dbraw/zinc/20/43/00/964204300.db2.gz MMGWQDAMUNRSPU-STQMWFEESA-N 2 0 271.449 1.857 10 0 CDAERP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH+](C)CCC1CC1 ZINC001441009343 964322917 /nfs/dbraw/zinc/32/29/17/964322917.db2.gz XDCXNPAUUPMWOC-ZFWWWQNUSA-N 2 0 281.444 1.565 10 0 CDAERP CCCC[NH+]1CC([C@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001441180015 964409563 /nfs/dbraw/zinc/40/95/63/964409563.db2.gz AROFWYUQTYLUNH-KGLIPLIRSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CCC1CC1 ZINC001441872469 964762208 /nfs/dbraw/zinc/76/22/08/964762208.db2.gz WAWUSZIFLMNWQX-ZFWWWQNUSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)N(CC[N@H+](C)CCC1CC1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001442125273 964879631 /nfs/dbraw/zinc/87/96/31/964879631.db2.gz CCXFLUDUZQTREA-MRXNPFEDSA-N 2 0 295.471 1.907 10 0 CDAERP CC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)C[C@@H](C)OC ZINC001442700902 965181801 /nfs/dbraw/zinc/18/18/01/965181801.db2.gz JZIMBQRPSXHNPI-CQSZACIVSA-N 2 0 299.459 1.334 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC001346694873 965218212 /nfs/dbraw/zinc/21/82/12/965218212.db2.gz ISDZUBSOCWDGSB-GJZGRUSLSA-N 2 0 292.427 1.126 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@H]1CC[N@H+](CCF)C1 ZINC001442854259 965246620 /nfs/dbraw/zinc/24/66/20/965246620.db2.gz JHAGZNATFJDGEI-CHWSQXEVSA-N 2 0 291.386 1.074 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC001443319906 965440102 /nfs/dbraw/zinc/44/01/02/965440102.db2.gz GSDGVPAUWYHYSL-UONOGXRCSA-N 2 0 287.423 1.467 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]CC1CC(C)(C)C1 ZINC001444410445 965823772 /nfs/dbraw/zinc/82/37/72/965823772.db2.gz SKMVMQROSLZIJM-HIFRSBDPSA-N 2 0 295.471 1.716 10 0 CDAERP C[C@H](C[NH2+]CC1CCC(C)CC1)NC(=O)CC[NH+](C)C ZINC001445436067 966198021 /nfs/dbraw/zinc/19/80/21/966198021.db2.gz SDFMMVSUVOEKJS-SHARSMKWSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@@H](C[N@H+](C)CCC1CC1)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001445843994 966361719 /nfs/dbraw/zinc/36/17/19/966361719.db2.gz AJBYREXNPSVNPB-ZFWWWQNUSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@H](F)C[N@H+](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001445860692 966370167 /nfs/dbraw/zinc/37/01/67/966370167.db2.gz YXBVAROQOFYHOM-STQMWFEESA-N 2 0 285.407 1.267 10 0 CDAERP CC[C@H](F)C[NH+]1CCC(C)(NC(=O)C[NH+]2CCCC2)CC1 ZINC001446478579 966551463 /nfs/dbraw/zinc/55/14/63/966551463.db2.gz RATGYGZEGTUUHE-AWEZNQCLSA-N 2 0 299.434 1.801 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CCC(C)([NH2+]CCC3CC3)CC2)C1 ZINC001447574344 966822000 /nfs/dbraw/zinc/82/20/00/966822000.db2.gz ZTVPSQGUGVPMPX-HNNXBMFYSA-N 2 0 293.455 1.709 10 0 CDAERP C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]Cc1ccns1 ZINC001447910983 966927501 /nfs/dbraw/zinc/92/75/01/966927501.db2.gz WJNQZZRZOABLRT-NWDGAFQWSA-N 2 0 298.456 1.468 10 0 CDAERP COC[C@H](C)[NH2+]C1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001447940327 966934963 /nfs/dbraw/zinc/93/49/63/966934963.db2.gz BZZJUFFYCSCBRW-NFOMZHRRSA-N 2 0 299.459 1.332 10 0 CDAERP [NH3+]CCCOCC[NH2+]CCc1ccc(F)cc1F ZINC001351666329 966970968 /nfs/dbraw/zinc/97/09/68/966970968.db2.gz JVEZNJLIQBHDAN-UHFFFAOYSA-N 2 0 258.312 1.462 10 0 CDAERP CC(C)C[N@H+](C)[C@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001448103706 966999048 /nfs/dbraw/zinc/99/90/48/966999048.db2.gz FERFUNBFAIQQBU-CQSZACIVSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@@H](F)CC[NH+]1CC([C@@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001448303562 967066935 /nfs/dbraw/zinc/06/69/35/967066935.db2.gz KHFYPJKHCPLDBC-CHWSQXEVSA-N 2 0 299.434 1.655 10 0 CDAERP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C1C[NH+](CC[C@H](C)F)C1 ZINC001448317366 967069997 /nfs/dbraw/zinc/06/99/97/967069997.db2.gz BSEYBXIMKFHMRS-QWHCGFSZSA-N 2 0 299.434 1.513 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)[C@H](C)CC[NH+](C)C)CC1 ZINC001547440684 967462258 /nfs/dbraw/zinc/46/22/58/967462258.db2.gz KBFZBPCDIWTXPX-CYBMUJFWSA-N 2 0 269.433 1.517 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+](C)C(C)C ZINC001569566488 1169926381 /nfs/dbraw/zinc/92/63/81/1169926381.db2.gz LNLMEHTTWFLYSP-ZDUSSCGKSA-N 2 0 255.406 1.316 10 0 CDAERP Cn1cc([C@@H]2CCC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)nn1 ZINC001460946925 969572005 /nfs/dbraw/zinc/57/20/05/969572005.db2.gz QYPIWINTEFUEQR-KGLIPLIRSA-N 2 0 277.416 1.479 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001466399976 969952115 /nfs/dbraw/zinc/95/21/15/969952115.db2.gz ZUBHCSGMFWJJFS-KBPBESRZSA-N 2 0 269.433 1.517 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)CC[NH+](C)C)C1 ZINC001361966303 970722433 /nfs/dbraw/zinc/72/24/33/970722433.db2.gz CIOYBQDKQCDOFB-GJZGRUSLSA-N 2 0 283.460 1.765 10 0 CDAERP CC(C)[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001496055102 972771509 /nfs/dbraw/zinc/77/15/09/972771509.db2.gz KVCCHSJKHNBPRL-UONOGXRCSA-N 2 0 269.433 1.704 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001372248197 972874032 /nfs/dbraw/zinc/87/40/32/972874032.db2.gz SKKAEKROTIYBLE-OAHLLOKOSA-N 2 0 283.460 1.957 10 0 CDAERP CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001496415449 972914374 /nfs/dbraw/zinc/91/43/74/972914374.db2.gz GHFUDUWUBVSYTG-ZFWWWQNUSA-N 2 0 292.427 1.969 10 0 CDAERP CCC[N@H+](C)CCN(C)C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001496729909 973071627 /nfs/dbraw/zinc/07/16/27/973071627.db2.gz BCDGOAFLDREUNO-HUUCEWRRSA-N 2 0 281.444 1.804 10 0 CDAERP CO[C@H](C)C[NH2+]CC[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001497276465 973272414 /nfs/dbraw/zinc/27/24/14/973272414.db2.gz MTXFHOQWICEMSF-UONOGXRCSA-N 2 0 299.459 1.238 10 0 CDAERP CC(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001417810900 973398583 /nfs/dbraw/zinc/39/85/83/973398583.db2.gz DFWQCNDPAMMSAO-HRCADAONSA-N 2 0 295.471 1.859 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH+](C)C[C@@H](C)O ZINC001417860275 973425434 /nfs/dbraw/zinc/42/54/34/973425434.db2.gz VINBZYRIQUQQRW-CABCVRRESA-N 2 0 299.459 1.022 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001418056352 973559955 /nfs/dbraw/zinc/55/99/55/973559955.db2.gz ARTGCNLMGLELLO-TUVASFSCSA-N 2 0 299.434 1.844 10 0 CDAERP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001373681893 973568069 /nfs/dbraw/zinc/56/80/69/973568069.db2.gz VTHAWUGBKMMMLC-AWEZNQCLSA-N 2 0 283.460 1.907 10 0 CDAERP C[C@H](C[NH2+]CC1=CCCCC1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001497909831 973574456 /nfs/dbraw/zinc/57/44/56/973574456.db2.gz DJTBKWZTNFOTGP-HUUCEWRRSA-N 2 0 293.455 1.923 10 0 CDAERP CC1CC(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC[NH+](C)C)C1 ZINC001418180396 973627616 /nfs/dbraw/zinc/62/76/16/973627616.db2.gz MDOLRQJSYZIWLU-RVZSJEDASA-N 2 0 279.428 1.031 10 0 CDAERP CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)[NH2+]Cc1conc1C ZINC001373823468 973657807 /nfs/dbraw/zinc/65/78/07/973657807.db2.gz XGVZNFTYTCXZSI-ZIAGYGMSSA-N 2 0 296.415 1.308 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001373919959 973689815 /nfs/dbraw/zinc/68/98/15/973689815.db2.gz TWDCFRVUOAKRPT-ZQDZILKHSA-N 2 0 299.434 1.846 10 0 CDAERP CC[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1coc(C)n1)[NH+](C)C ZINC001374081703 973769462 /nfs/dbraw/zinc/76/94/62/973769462.db2.gz VGZLHJVCDYFKQZ-RISCZKNCSA-N 2 0 296.415 1.165 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N[C@H](C[NH2+]CCC2CC2)C2CC2)C1 ZINC001498848737 974076370 /nfs/dbraw/zinc/07/63/70/974076370.db2.gz FYBOLCHFHVCFCJ-GDBMZVCRSA-N 2 0 293.455 1.613 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N[C@@H](C[NH2+]CCC2CC2)C2CC2)C1 ZINC001498848753 974077102 /nfs/dbraw/zinc/07/71/02/974077102.db2.gz FYBOLCHFHVCFCJ-ZBFHGGJFSA-N 2 0 293.455 1.613 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1scnc1C)[NH+](C)C ZINC001374904357 974172800 /nfs/dbraw/zinc/17/28/00/974172800.db2.gz FASLFBGQULTLPD-CMPLNLGQSA-N 2 0 298.456 1.386 10 0 CDAERP CC(C)[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001499422001 974251197 /nfs/dbraw/zinc/25/11/97/974251197.db2.gz SRWURBFOANTIQI-KBPBESRZSA-N 2 0 281.444 1.754 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001499512095 974262429 /nfs/dbraw/zinc/26/24/29/974262429.db2.gz ZXEUQZWGRROCSS-ZNMIVQPWSA-N 2 0 299.434 1.752 10 0 CDAERP C[N@H+](CC(=O)N1CCC[C@H]1C[NH2+]C/C=C/Cl)C1CCC1 ZINC001499900878 974329165 /nfs/dbraw/zinc/32/91/65/974329165.db2.gz NKHDRHQTAMZTTB-PXYYCUNGSA-N 2 0 299.846 1.804 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CC[C@](C)(C[NH2+]CCF)C2)CC[N@@H+]1C ZINC001500372071 974428406 /nfs/dbraw/zinc/42/84/06/974428406.db2.gz GSRMAWMJWMYKSK-OFQRWUPVSA-N 2 0 299.434 1.514 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001376020334 974536397 /nfs/dbraw/zinc/53/63/97/974536397.db2.gz XHLUNRTXDTVPFX-AWEZNQCLSA-N 2 0 281.444 1.804 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cscn2)C1 ZINC001376479450 974671688 /nfs/dbraw/zinc/67/16/88/974671688.db2.gz QNEJKCRBXPDWGR-TXEJJXNPSA-N 2 0 296.440 1.222 10 0 CDAERP CC[C@H](C)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001502026568 974677482 /nfs/dbraw/zinc/67/74/82/974677482.db2.gz SZOCEEGQOFNZQC-UONOGXRCSA-N 2 0 281.444 1.613 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001376521995 974680726 /nfs/dbraw/zinc/68/07/26/974680726.db2.gz BNJUAYSEOAJYTO-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP CCC[NH2+]C[C@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)CCO1 ZINC001502077631 974689043 /nfs/dbraw/zinc/68/90/43/974689043.db2.gz ZIBKVEACLKJPGA-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC[C@H]1CCCCO1 ZINC001376885207 974803543 /nfs/dbraw/zinc/80/35/43/974803543.db2.gz QMCVXNBHGKJZKY-HUUCEWRRSA-N 2 0 297.443 1.136 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001376895572 974806427 /nfs/dbraw/zinc/80/64/27/974806427.db2.gz LILITWYYUCLVSC-CQSZACIVSA-N 2 0 297.443 1.088 10 0 CDAERP Cc1ccncc1C[NH2+][C@H](C)CCNC(=O)CC[NH+](C)C ZINC001377058370 974869608 /nfs/dbraw/zinc/86/96/08/974869608.db2.gz KBBSBRCUAALOET-CQSZACIVSA-N 2 0 292.427 1.326 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001505461075 974887401 /nfs/dbraw/zinc/88/74/01/974887401.db2.gz DOWPCWMYORIACE-CVEARBPZSA-N 2 0 293.455 1.827 10 0 CDAERP CCC[NH2+]CC(C)(C)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001505830033 974996575 /nfs/dbraw/zinc/99/65/75/974996575.db2.gz VWOCBSSZMWYDCP-UHFFFAOYSA-N 2 0 283.460 1.812 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001377440045 975028167 /nfs/dbraw/zinc/02/81/67/975028167.db2.gz SKTKGBZWBYDHQJ-LSDHHAIUSA-N 2 0 299.434 1.514 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)CCCF)[NH+](C)C ZINC001505943669 975052354 /nfs/dbraw/zinc/05/23/54/975052354.db2.gz MBAAXXXDGJWAPF-VXGBXAGGSA-N 2 0 261.385 1.123 10 0 CDAERP CC[C@@H](F)C[NH2+][C@@H](C)CCNC(=O)C[NH+]1CCCC1 ZINC001377523996 975063746 /nfs/dbraw/zinc/06/37/46/975063746.db2.gz LMZMTXJGAVFPME-QWHCGFSZSA-N 2 0 273.396 1.315 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@@H](C[N@H+](C)CC2CCCC2)C1 ZINC001377767340 975133918 /nfs/dbraw/zinc/13/39/18/975133918.db2.gz LMCURBBPJSZLJA-INIZCTEOSA-N 2 0 295.471 1.909 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NC1(C[NH2+]CC2CC2)CCCCC1 ZINC001506498793 975169482 /nfs/dbraw/zinc/16/94/82/975169482.db2.gz FMAYWPHCDLHVPA-HNNXBMFYSA-N 2 0 293.455 1.899 10 0 CDAERP C[C@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]CC1CCCC1 ZINC001377908066 975171708 /nfs/dbraw/zinc/17/17/08/975171708.db2.gz LPRJYCKTEDZPJA-KBPBESRZSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]CC1CCCC1 ZINC001377908077 975171750 /nfs/dbraw/zinc/17/17/50/975171750.db2.gz LPRJYCKTEDZPJA-UONOGXRCSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001378037383 975215561 /nfs/dbraw/zinc/21/55/61/975215561.db2.gz MYDIXUQZBODEQK-GJZGRUSLSA-N 2 0 281.444 1.659 10 0 CDAERP CC(C)[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001506924421 975262199 /nfs/dbraw/zinc/26/21/99/975262199.db2.gz WETUAIGMSFWJHL-UKRRQHHQSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001378504513 975370563 /nfs/dbraw/zinc/37/05/63/975370563.db2.gz IBIHZTOWNBXASA-HUUCEWRRSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]Cc1nccs1 ZINC001378650304 975430082 /nfs/dbraw/zinc/43/00/82/975430082.db2.gz RDNMUIJKWJTCJI-LBPRGKRZSA-N 2 0 296.440 1.081 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001401085273 975446657 /nfs/dbraw/zinc/44/66/57/975446657.db2.gz LQVAGDIJQQOECC-CABCVRRESA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CC[C@@H]1CCCO1 ZINC001397251037 975515420 /nfs/dbraw/zinc/51/54/20/975515420.db2.gz JDVGBODUCQSGNO-ILXRZTDVSA-N 2 0 297.443 1.086 10 0 CDAERP C[C@H](C[NH2+]Cc1ccns1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001378856432 975517256 /nfs/dbraw/zinc/51/72/56/975517256.db2.gz VCCJTPBONAQQNP-VXGBXAGGSA-N 2 0 296.440 1.031 10 0 CDAERP CC[N@H+](C)CCC1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001401308656 975574259 /nfs/dbraw/zinc/57/42/59/975574259.db2.gz GKXMQQGENVCAPE-MRXNPFEDSA-N 2 0 295.471 1.909 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001388783828 975593163 /nfs/dbraw/zinc/59/31/63/975593163.db2.gz DWQINWOXHQAXNF-RDBSUJKOSA-N 2 0 299.434 1.655 10 0 CDAERP CCN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](C[C@H](C)OC)C1 ZINC001405188572 975665326 /nfs/dbraw/zinc/66/53/26/975665326.db2.gz DNTKBJFZILVZKQ-GJZGRUSLSA-N 2 0 297.443 1.040 10 0 CDAERP CC(C)[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001379128889 975678851 /nfs/dbraw/zinc/67/88/51/975678851.db2.gz YVOMMCAWBKYAGC-HUUCEWRRSA-N 2 0 283.460 1.905 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1C/C=C\Cl ZINC001397797822 975723811 /nfs/dbraw/zinc/72/38/11/975723811.db2.gz PFLHOZJJGIANSO-HIMAVIEDSA-N 2 0 273.808 1.270 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]CCC2CC2)CC1 ZINC001405531706 975765400 /nfs/dbraw/zinc/76/54/00/975765400.db2.gz GYAGGBWQEIBIDK-SHTZXODSSA-N 2 0 281.444 1.755 10 0 CDAERP COC[C@H](C)[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001379626815 975965887 /nfs/dbraw/zinc/96/58/87/975965887.db2.gz LYPXJIMYIGWDIB-SQWLQELKSA-N 2 0 297.443 1.086 10 0 CDAERP CC[C@H](C(=O)NC[C@H]([NH2+]CC(C)C)C(C)C)[NH+](C)C ZINC001406040703 975980129 /nfs/dbraw/zinc/98/01/29/975980129.db2.gz NVDZFFFHOSNDHY-UONOGXRCSA-N 2 0 271.449 1.713 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC[C@@H](C)F)C1 ZINC001389821258 976003644 /nfs/dbraw/zinc/00/36/44/976003644.db2.gz RQZHFXONTVOQBX-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@H]([NH2+]C/C=C\Cl)C(C)(C)C1 ZINC001379722004 976030588 /nfs/dbraw/zinc/03/05/88/976030588.db2.gz ZSUYRGBWLPMHTA-HWPRWLFBSA-N 2 0 287.835 1.517 10 0 CDAERP C[C@@H](C[N@H+](C)Cc1cccc(F)c1)NC(=O)CC[NH+](C)C ZINC001379745795 976049397 /nfs/dbraw/zinc/04/93/97/976049397.db2.gz UFYXGSFLMCTUBF-ZDUSSCGKSA-N 2 0 295.402 1.714 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001398629470 976084150 /nfs/dbraw/zinc/08/41/50/976084150.db2.gz RUGOFGUXAFDXKS-REUIRPOCSA-N 2 0 271.792 1.070 10 0 CDAERP CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001390077887 976113374 /nfs/dbraw/zinc/11/33/74/976113374.db2.gz LVEABDUVYYIZNV-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP C[N@H+](CC(=O)NC[C@@H]1CC[NH+]1CC1CCCC1)C1CCC1 ZINC001379974469 976159171 /nfs/dbraw/zinc/15/91/71/976159171.db2.gz BGYUGALCJMRAGK-INIZCTEOSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@H](F)CC[NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001402358942 976248918 /nfs/dbraw/zinc/24/89/18/976248918.db2.gz IPISQTSIKWPZJK-GXTWGEPZSA-N 2 0 297.418 1.315 10 0 CDAERP C[C@@H](C[N@H+](C)Cc1ccsc1)NC(=O)[C@@H]1CCC[NH+]1C ZINC001406588723 976282253 /nfs/dbraw/zinc/28/22/53/976282253.db2.gz WGEFEYVWEIUAEW-JSGCOSHPSA-N 2 0 295.452 1.779 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001402587019 976378649 /nfs/dbraw/zinc/37/86/49/976378649.db2.gz AEBIAPPRQHJRCH-YYFQZIEXSA-N 2 0 299.434 1.702 10 0 CDAERP CC(C)[C@H](C(=O)N[C@@H]1C[C@H]([NH2+]CC2CC(C)C2)C1)[NH+](C)C ZINC001402627564 976408370 /nfs/dbraw/zinc/40/83/70/976408370.db2.gz IQTZEACCTAKWLU-MTERUZRBSA-N 2 0 295.471 1.856 10 0 CDAERP CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]CCF ZINC001406800749 976412903 /nfs/dbraw/zinc/41/29/03/976412903.db2.gz FEXIOHCJMCAFMC-CHWSQXEVSA-N 2 0 273.396 1.124 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CC1CC(C)(C)C1 ZINC001390739707 976470779 /nfs/dbraw/zinc/47/07/79/976470779.db2.gz CIQQICBUUFXFDE-AWEZNQCLSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](CCC3CC3)C[C@@H]2C1 ZINC001380703361 976520555 /nfs/dbraw/zinc/52/05/55/976520555.db2.gz JQALTVGMXYNSEX-IYBDPMFKSA-N 2 0 293.455 1.517 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001407103373 976553725 /nfs/dbraw/zinc/55/37/25/976553725.db2.gz IYPBPPGMTACQCT-CABCVRRESA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCF ZINC001402931634 976599297 /nfs/dbraw/zinc/59/92/97/976599297.db2.gz PVHSACMTBWBQIL-STQMWFEESA-N 2 0 273.396 1.171 10 0 CDAERP CC[N@H+](CCNC(=O)C[NH+](C)C(C)C)C[C@H]1CCCOC1 ZINC001391026745 976652970 /nfs/dbraw/zinc/65/29/70/976652970.db2.gz YTTNNYVUKDISRW-OAHLLOKOSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001391303257 976805211 /nfs/dbraw/zinc/80/52/11/976805211.db2.gz WCHOLCNAORFVGD-MGPQQGTHSA-N 2 0 290.411 1.750 10 0 CDAERP C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1C[NH+](CC2CC2)C1 ZINC001403341948 976896248 /nfs/dbraw/zinc/89/62/48/976896248.db2.gz YQYFBBADMNTIQQ-TZMCWYRMSA-N 2 0 279.428 1.175 10 0 CDAERP C[C@@H]1[C@H](C(=O)NCC[C@@H]2CC[NH+](CCF)C2)CC[N@@H+]1C ZINC001400165331 976902932 /nfs/dbraw/zinc/90/29/32/976902932.db2.gz SLWCGDNEULBJCV-MGPQQGTHSA-N 2 0 285.407 1.124 10 0 CDAERP CC[N@@H+]1CC[C@H](CCNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001400170558 976906049 /nfs/dbraw/zinc/90/60/49/976906049.db2.gz VYENWUANHNFNJY-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP CO[C@H](C)C[N@H+](C)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001381560221 976912046 /nfs/dbraw/zinc/91/20/46/976912046.db2.gz PDAKQADJMMJRLA-ZIAGYGMSSA-N 2 0 299.459 1.332 10 0 CDAERP CC[C@@H](F)C[N@H+](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001403486153 976982923 /nfs/dbraw/zinc/98/29/23/976982923.db2.gz NBELARKXPGQAHK-CYBMUJFWSA-N 2 0 287.423 1.609 10 0 CDAERP CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1cnoc1C)[NH+](C)C ZINC001403568280 977069447 /nfs/dbraw/zinc/06/94/47/977069447.db2.gz KQMMMBXYASDTEV-SMDDNHRTSA-N 2 0 296.415 1.260 10 0 CDAERP Cc1ncc(C[NH2+][C@H](C)CN(C)C(=O)[C@H]2CCC[N@@H+]2C)o1 ZINC001382113728 977168677 /nfs/dbraw/zinc/16/86/77/977168677.db2.gz BMJQHZBSNFPLBA-BXUZGUMPSA-N 2 0 294.399 1.014 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CC1CC1 ZINC001382129578 977179891 /nfs/dbraw/zinc/17/98/91/977179891.db2.gz VCNSGZUUJFDPPA-YDHLFZDLSA-N 2 0 281.444 1.563 10 0 CDAERP CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]21 ZINC001403775145 977183369 /nfs/dbraw/zinc/18/33/69/977183369.db2.gz WEADZVMMMHLLIX-ARFHVFGLSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC1CC1 ZINC001392058909 977207503 /nfs/dbraw/zinc/20/75/03/977207503.db2.gz IBGWTOVTDRCWJU-ZFWWWQNUSA-N 2 0 281.444 1.706 10 0 CDAERP CO[C@@H](C)C[NH+]1CCC([C@H](C)NC(=O)CC[NH+](C)C)CC1 ZINC001382562373 977308452 /nfs/dbraw/zinc/30/84/52/977308452.db2.gz WSFOUXQRJXAVJP-KBPBESRZSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@H](C[NH2+]CC1CC(F)(F)C1)NC(=O)CC[NH+](C)C ZINC001392505573 977461469 /nfs/dbraw/zinc/46/14/69/977461469.db2.gz PSZIIDDGXWHGIP-SNVBAGLBSA-N 2 0 277.359 1.078 10 0 CDAERP CC(C)C[NH2+]C1(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001392959484 977663895 /nfs/dbraw/zinc/66/38/95/977663895.db2.gz HAZDSQOYMLNJBJ-OKILXGFUSA-N 2 0 281.444 1.754 10 0 CDAERP C[C@@H]([NH2+]CC1CCCC1)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001393388568 977776755 /nfs/dbraw/zinc/77/67/55/977776755.db2.gz PPWXQRFVCPWFOO-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP CN(CCC[N@H+](C)CCCF)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001393640802 977880317 /nfs/dbraw/zinc/88/03/17/977880317.db2.gz FZNACWCXQAPLQY-AWEZNQCLSA-N 2 0 287.423 1.468 10 0 CDAERP CC[C@H](C)C[N@H+](C)[C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001394073476 978051489 /nfs/dbraw/zinc/05/14/89/978051489.db2.gz KYBZLDJUMJDQHQ-KBPBESRZSA-N 2 0 283.460 1.953 10 0 CDAERP CC[NH+]1CC([C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001394275771 978124057 /nfs/dbraw/zinc/12/40/57/978124057.db2.gz ZMJJTYURQUUEDH-GDBMZVCRSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]CCC2CC2)C[C@H]1C ZINC001394675953 978228785 /nfs/dbraw/zinc/22/87/85/978228785.db2.gz FJBKIMRZNVXXBL-UKRRQHHQSA-N 2 0 281.444 1.706 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@]12CCC[C@H]1[NH+](C(C)C)CC2 ZINC001394682085 978230002 /nfs/dbraw/zinc/23/00/02/978230002.db2.gz DRZCOQKJHUZLOA-GDBMZVCRSA-N 2 0 281.444 1.848 10 0 CDAERP CC(C)N(CC[N@H+](C)C(C)C)C(=O)[C@H]1CCC[NH+]1C ZINC001677191455 1174332258 /nfs/dbraw/zinc/33/22/58/1174332258.db2.gz PHKUYLCUKOHUSY-CQSZACIVSA-N 2 0 269.433 1.658 10 0 CDAERP CC(C)=CC[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001570363565 1170143249 /nfs/dbraw/zinc/14/32/49/1170143249.db2.gz DCMDQYZYKMEXGI-CABCVRRESA-N 2 0 279.428 1.485 10 0 CDAERP CCCC[NH2+][C@@H](C)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001570606800 1170207956 /nfs/dbraw/zinc/20/79/56/1170207956.db2.gz CEHYBZVHLTVJJU-STQMWFEESA-N 2 0 269.433 1.754 10 0 CDAERP CCC[N@H+](C)[C@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001570715480 1170250921 /nfs/dbraw/zinc/25/09/21/1170250921.db2.gz DUFHEMQHYMUIIW-KGLIPLIRSA-N 2 0 269.433 1.707 10 0 CDAERP CC[NH2+][C@H](C)CN(C)C(=O)[C@H](F)C[NH+](CC)CC ZINC001571389612 1170405596 /nfs/dbraw/zinc/40/55/96/1170405596.db2.gz PIXNEBHOSCIRDG-VXGBXAGGSA-N 2 0 261.385 1.123 10 0 CDAERP CC[C@@H]1CN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)C[C@H](C)[NH2+]1 ZINC000620903599 342464301 /nfs/dbraw/zinc/46/43/01/342464301.db2.gz XBCBUTDRIWANGV-REWJHTLYSA-N 2 0 267.417 1.458 10 0 CDAERP CC(C)C[NH2+]C[C@H](O)CO[C@@H]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000675079987 539085844 /nfs/dbraw/zinc/08/58/44/539085844.db2.gz KMDPRMMJNNVBMA-BYNSBNAKSA-N 2 0 270.417 1.140 10 0 CDAERP CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650745618 398173023 /nfs/dbraw/zinc/17/30/23/398173023.db2.gz KQAYXIMPFBOIBL-NEPJUHHUSA-N 2 0 274.430 1.061 10 0 CDAERP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@H]1CCCc2c1ccc(=O)n2C ZINC000650725248 398164965 /nfs/dbraw/zinc/16/49/65/398164965.db2.gz WYZPUBJEZMIYQP-NFAWXSAZSA-N 2 0 289.423 1.883 10 0 CDAERP C[C@@H](C[NH+](C)C)NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000354549948 365545564 /nfs/dbraw/zinc/54/55/64/365545564.db2.gz KLHCVWUKBGBUIH-HSBZDZAISA-N 2 0 284.448 1.356 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000575122282 361757620 /nfs/dbraw/zinc/75/76/20/361757620.db2.gz GJYSNQPCTDXDJC-RYUDHWBXSA-N 2 0 289.370 1.364 10 0 CDAERP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3[NH2+]CCc4ccccc43)C[C@H]12 ZINC000248591369 343995703 /nfs/dbraw/zinc/99/57/03/343995703.db2.gz HETUNUAEAMBSGU-SLBVQIDZSA-N 2 0 285.391 1.069 10 0 CDAERP CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)[NH+](C)C ZINC000617012140 342604386 /nfs/dbraw/zinc/60/43/86/342604386.db2.gz VJCCVHFJACLCKW-RYUDHWBXSA-N 2 0 255.406 1.316 10 0 CDAERP CC(C)n1ccc(C[C@H](C)[NH2+]CC2([NH3+])CCOCC2)n1 ZINC000629389466 361894842 /nfs/dbraw/zinc/89/48/42/361894842.db2.gz NILWOFPUDJSCPK-ZDUSSCGKSA-N 2 0 280.416 1.493 10 0 CDAERP CCOC(=O)C1([C@H](C)[NH2+]CCC2(C[NH3+])CC2)CC[NH2+]CC1 ZINC000593321573 342788125 /nfs/dbraw/zinc/78/81/25/342788125.db2.gz ZTHVNPGRAKGYGK-ZDUSSCGKSA-N 3 0 297.443 1.026 10 0 CDAERP CC(=O)Nc1ccc(C[NH2+]CCOCCC[NH3+])cc1 ZINC000629397657 361929395 /nfs/dbraw/zinc/92/93/95/361929395.db2.gz AVSSYUZXDVPHRV-UHFFFAOYSA-N 2 0 265.357 1.100 10 0 CDAERP c1cc(CN2CC[NH+]3CCC2CC3)n(-c2cc[nH+]cc2)n1 ZINC000668163255 539056893 /nfs/dbraw/zinc/05/68/93/539056893.db2.gz YEJATUYMYPVNFJ-UHFFFAOYSA-N 2 0 283.379 1.547 10 0 CDAERP CC(C)CN1CC[NH+]([C@H]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000675053915 539069265 /nfs/dbraw/zinc/06/92/65/539069265.db2.gz PYANIKQKXQLVIW-CABCVRRESA-N 2 0 253.434 1.778 10 0 CDAERP [NH3+][C@@H](C(=O)N1CC[C@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000334244203 539063374 /nfs/dbraw/zinc/06/33/74/539063374.db2.gz ZGWDEFWDNKMRIW-GDBMZVCRSA-N 2 0 273.380 1.289 10 0 CDAERP CC(C)N1CC[C@@H]([NH3+])[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC000685955344 539116489 /nfs/dbraw/zinc/11/64/89/539116489.db2.gz XZAFMRYXNRRCOA-IUODEOHRSA-N 2 0 283.416 1.807 10 0 CDAERP C[C@H]([NH2+]CCNC(=O)c1ccccc1)C1CC[NH+](C)CC1 ZINC000162553124 539120946 /nfs/dbraw/zinc/12/09/46/539120946.db2.gz CKCKAKWLEQKYPF-AWEZNQCLSA-N 2 0 289.423 1.736 10 0 CDAERP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000594923469 342988152 /nfs/dbraw/zinc/98/81/52/342988152.db2.gz YIOFOOZORBTOOO-WCFLWFBJSA-N 2 0 254.374 1.115 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000595000383 342994978 /nfs/dbraw/zinc/99/49/78/342994978.db2.gz GTVUHHFBZFPUPM-DAXOMENPSA-N 2 0 294.439 1.896 10 0 CDAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]C1CCC(c2ccccc2)CC1 ZINC000263137300 362035006 /nfs/dbraw/zinc/03/50/06/362035006.db2.gz CBOGQTZZUQMMQG-MNAZLIDISA-N 2 0 274.408 1.883 10 0 CDAERP CN(C)c1nccc(N2CCCC[C@H]([NH+]3CCCC3)C2)n1 ZINC000077218867 342328599 /nfs/dbraw/zinc/32/85/99/342328599.db2.gz RSUKNYDJZODLSV-AWEZNQCLSA-N 2 0 289.427 1.997 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](n1cccn1)C(F)(F)F ZINC000629513359 362126681 /nfs/dbraw/zinc/12/66/81/362126681.db2.gz HQGIARLFLGMBPJ-MNOVXSKESA-N 2 0 294.321 1.330 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H](n1cccn1)C(F)(F)F ZINC000629514599 362129836 /nfs/dbraw/zinc/12/98/36/362129836.db2.gz MCGJYWGGYDPTIH-AEJSXWLSSA-N 2 0 264.295 1.702 10 0 CDAERP CC(C)[C@H](Cn1cccn1)[NH2+]CC1([NH3+])CCOCC1 ZINC000629519937 362140023 /nfs/dbraw/zinc/14/00/23/362140023.db2.gz IYSRHNULBKBTQX-ZDUSSCGKSA-N 2 0 266.389 1.005 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000629529070 362154985 /nfs/dbraw/zinc/15/49/85/362154985.db2.gz QYIFOZLUZXEVGT-JTQLQIEISA-N 2 0 258.312 1.851 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H]1CCc2c(cccc2OC)C1 ZINC000629530773 362160653 /nfs/dbraw/zinc/16/06/53/362160653.db2.gz QSMLFJYAEILRAD-AWEZNQCLSA-N 2 0 278.396 1.378 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000629530740 362160668 /nfs/dbraw/zinc/16/06/68/362160668.db2.gz PNZWZQWFJLQTRC-HOCLYGCPSA-N 2 0 277.412 1.933 10 0 CDAERP COc1cncc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000629533224 362170552 /nfs/dbraw/zinc/17/05/52/362170552.db2.gz OJGIDSQATHESFM-STQMWFEESA-N 2 0 276.384 1.307 10 0 CDAERP CC[NH+]1CCC(NC(=O)C[N@H+](C[C@H](C)OC)C(C)C)CC1 ZINC000354875660 365745854 /nfs/dbraw/zinc/74/58/54/365745854.db2.gz DMJYRWPANQUXQF-AWEZNQCLSA-N 2 0 299.459 1.332 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)[C@H](C)CC ZINC000354938609 365789267 /nfs/dbraw/zinc/78/92/67/365789267.db2.gz QDPILFHJYNSMQS-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP C[C@H]1[NH2+]CC[C@@H]1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000252615941 344074455 /nfs/dbraw/zinc/07/44/55/344074455.db2.gz ZJIWVVXFVUTTSJ-JWURUJNWSA-N 2 0 265.401 1.116 10 0 CDAERP C[NH+](C/C=C/C[N@@H+](C)C[C@@H]1CCCO1)C[C@@H]1CCCO1 ZINC000102770259 282335392 /nfs/dbraw/zinc/33/53/92/282335392.db2.gz RMHLXWDXDVSHLN-PIGHNIFASA-N 2 0 282.428 1.764 10 0 CDAERP CC[N@H+](C[C@@H](O)CN(C)Cc1ccccc1)C1CC1 ZINC000303363691 344882533 /nfs/dbraw/zinc/88/25/33/344882533.db2.gz FEBUSNGGMNFQEU-INIZCTEOSA-N 2 0 262.397 1.964 10 0 CDAERP CC[N@@H+]1CCN(C(=O)CC2([NH3+])CCCC2)C[C@@H]1C ZINC000084186943 178819905 /nfs/dbraw/zinc/81/99/05/178819905.db2.gz RAFIEYILHPZKBR-LBPRGKRZSA-N 2 0 253.390 1.201 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)CC2([NH3+])CCCC2)C1 ZINC000084186712 178819920 /nfs/dbraw/zinc/81/99/20/178819920.db2.gz KEAJQUNVKGDCSH-CYBMUJFWSA-N 2 0 267.417 1.591 10 0 CDAERP CN(CC1CC[NH+](C)CC1)C(=O)CC1([NH3+])CCCCC1 ZINC000084186788 178820365 /nfs/dbraw/zinc/82/03/65/178820365.db2.gz MOIYWWXSMXTKCN-UHFFFAOYSA-N 2 0 281.444 1.838 10 0 CDAERP C[C@]1(C(=O)N2CC[NH+](C3CCCC3)CC2)CCC[NH2+]1 ZINC000079520992 362660731 /nfs/dbraw/zinc/66/07/31/362660731.db2.gz JNJCKKOYSZJJGW-OAHLLOKOSA-N 2 0 265.401 1.215 10 0 CDAERP CCN(C(=O)CCN(C)c1cc[nH+]cc1)[C@@H]1CC[N@H+](C)C1 ZINC000617552281 345846845 /nfs/dbraw/zinc/84/68/45/345846845.db2.gz KVWIOHCXWFUNKM-OAHLLOKOSA-N 2 0 290.411 1.461 10 0 CDAERP CCN(C(=O)[C@@H](C)Cc1c[nH]cn1)[C@H]1CC[N@H+](C)C1 ZINC000617561645 345856546 /nfs/dbraw/zinc/85/65/46/345856546.db2.gz PQTTUICAYRJLEK-AAEUAGOBSA-N 2 0 264.373 1.141 10 0 CDAERP CCC[C@H]1CCC[N@H+](C[C@@](O)(C[NH3+])C2CC2)CC1 ZINC000085301929 179009860 /nfs/dbraw/zinc/00/98/60/179009860.db2.gz QICUVWULCYJKSX-ZFWWWQNUSA-N 2 0 254.418 1.988 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085359333 179031949 /nfs/dbraw/zinc/03/19/49/179031949.db2.gz SAHPPUWCHXMEAN-UPJWGTAASA-N 2 0 255.406 1.206 10 0 CDAERP COCC[C@@](C)(O)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623421685 346419737 /nfs/dbraw/zinc/41/97/37/346419737.db2.gz VYSJGMHKAABQOS-GXTWGEPZSA-N 2 0 258.406 1.236 10 0 CDAERP CC(C)c1nc2c(n1[C@@H]1C[NH+]3CCC1CC3)CC[NH2+]C2 ZINC000085568733 179095627 /nfs/dbraw/zinc/09/56/27/179095627.db2.gz BUNBXVNWRILUIT-OAHLLOKOSA-N 2 0 274.412 1.919 10 0 CDAERP CC(C)Cc1nc2c(n1CCC[NH+](C)C)CC[NH2+]C2 ZINC000085569027 179096127 /nfs/dbraw/zinc/09/61/27/179096127.db2.gz BAWLXPODNYVVNC-UHFFFAOYSA-N 2 0 264.417 1.679 10 0 CDAERP C[C@@H](Cn1c2c(nc1C(C)(C)C)C[NH2+]CC2)[NH+](C)C ZINC000085573128 179098390 /nfs/dbraw/zinc/09/83/90/179098390.db2.gz UIHSYVWUKHTVMD-NSHDSACASA-N 2 0 264.417 1.776 10 0 CDAERP C[NH+](C)CC(C)(C)C[NH2+][C@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000085628642 179107445 /nfs/dbraw/zinc/10/74/45/179107445.db2.gz OJDYOXWFZJMCFQ-AGIUHOORSA-N 2 0 254.418 1.977 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccnc(C)c1 ZINC000623443232 346757431 /nfs/dbraw/zinc/75/74/31/346757431.db2.gz VQBLYBFBHSIPBC-OAHLLOKOSA-N 2 0 265.401 1.836 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CC[C@@H](CO)CC2)CC1(C)C ZINC000623445843 346761837 /nfs/dbraw/zinc/76/18/37/346761837.db2.gz HFQQINWKLZSJKN-HZSPNIEDSA-N 2 0 254.418 2.000 10 0 CDAERP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C[C@H](C)[N@H+]1C ZINC000635968052 362795768 /nfs/dbraw/zinc/79/57/68/362795768.db2.gz QGXQEZPZAGDCEF-WRWGMCAJSA-N 2 0 262.357 1.064 10 0 CDAERP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000247043642 290810303 /nfs/dbraw/zinc/81/03/03/290810303.db2.gz SZXGXUGDIWBJDV-DGAVXFQQSA-N 2 0 265.401 1.118 10 0 CDAERP CCC[NH2+][C@H](CCO)CN1CC[NH+]([C@@H](C)CC)CC1 ZINC000085922713 179201551 /nfs/dbraw/zinc/20/15/51/179201551.db2.gz GXEHANPOPUENPC-LSDHHAIUSA-N 2 0 271.449 1.153 10 0 CDAERP CC(C)[C@@H]1C[NH2+][C@@H](C(C)C)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086171869 179243438 /nfs/dbraw/zinc/24/34/38/179243438.db2.gz DORSVWIUZDKLRX-OAGGEKHMSA-N 2 0 267.461 1.893 10 0 CDAERP CC[C@H]1C[NH2+]C(C)(C)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086182749 179247823 /nfs/dbraw/zinc/24/78/23/179247823.db2.gz PBOYSCDCVRFZMY-UONOGXRCSA-N 2 0 251.418 1.543 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(CC(N)=O)cc2)CC1(C)C ZINC000623527457 347616313 /nfs/dbraw/zinc/61/63/13/347616313.db2.gz UPNUFPVDWKONTI-HNNXBMFYSA-N 2 0 289.423 1.677 10 0 CDAERP COCC[C@H](COC)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623528456 347616865 /nfs/dbraw/zinc/61/68/65/347616865.db2.gz NTPYVXZAILVSII-CHWSQXEVSA-N 2 0 258.406 1.500 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(CC(F)F)C2)CC1(C)C ZINC000623552590 347628442 /nfs/dbraw/zinc/62/84/42/347628442.db2.gz MEHKOTRAQQGCQK-NWDGAFQWSA-N 2 0 275.387 1.788 10 0 CDAERP Cn1cnc(CCC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)n1 ZINC000623557310 347630768 /nfs/dbraw/zinc/63/07/68/347630768.db2.gz RPOVYAJYMZPNMN-LBPRGKRZSA-N 2 0 265.405 1.210 10 0 CDAERP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@H]2C[C@H](C(N)=O)C2)C1 ZINC000623662989 349394163 /nfs/dbraw/zinc/39/41/63/349394163.db2.gz TUDWYYMPHIDZNX-DMRZNYOFSA-N 2 0 287.407 1.675 10 0 CDAERP CCOC(=O)[C@H](CC)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000251357114 350102668 /nfs/dbraw/zinc/10/26/68/350102668.db2.gz WFIORYKVPXXPMC-MJBXVCDLSA-N 2 0 268.401 1.792 10 0 CDAERP C[C@@H]1CC[N@H+](CCOC2CCOCC2)C[C@@H]1C[NH3+] ZINC000629538712 362954994 /nfs/dbraw/zinc/95/49/94/362954994.db2.gz OYEKHIYTUCOBGT-OLZOCXBDSA-N 2 0 256.390 1.099 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1 ZINC000629545765 362971138 /nfs/dbraw/zinc/97/11/38/362971138.db2.gz QYEFWKGEHSOGJW-XDQVBPFNSA-N 2 0 262.401 1.786 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000629548330 362976747 /nfs/dbraw/zinc/97/67/47/362976747.db2.gz NTNOTKBORXXQNB-NXNVCVFFSA-N 2 0 288.439 1.632 10 0 CDAERP CN(C(=O)CC[C@H]1CCC[NH2+]C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000621645898 350688985 /nfs/dbraw/zinc/68/89/85/350688985.db2.gz NNPFCGZQLVTJHG-HIFRSBDPSA-N 2 0 279.428 1.461 10 0 CDAERP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2cncc(Cl)c2)C1 ZINC000621773716 350770019 /nfs/dbraw/zinc/77/00/19/350770019.db2.gz ADALFEXXJUEOEE-GFCCVEGCSA-N 2 0 296.802 1.022 10 0 CDAERP CCn1nccc1CC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000621775476 350771734 /nfs/dbraw/zinc/77/17/34/350771734.db2.gz PVXPCEWSKWBUTC-GDBMZVCRSA-N 2 0 276.428 1.910 10 0 CDAERP CCn1nccc1CC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000621776691 350772955 /nfs/dbraw/zinc/77/29/55/350772955.db2.gz SSUJINBBPNMVMS-ZBFHGGJFSA-N 2 0 276.428 1.910 10 0 CDAERP CCN(C(=O)CC[C@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](C)C1 ZINC000622138018 351031212 /nfs/dbraw/zinc/03/12/12/351031212.db2.gz CMMWCVPYMCYBJN-CABCVRRESA-N 2 0 281.444 1.804 10 0 CDAERP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000418543800 295820240 /nfs/dbraw/zinc/82/02/40/295820240.db2.gz HALGEGSNELFXBS-VNHYZAJKSA-N 2 0 296.459 1.356 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)[C@H](C)C(=O)N(C)C1CCCCC1 ZINC000629571358 363021235 /nfs/dbraw/zinc/02/12/35/363021235.db2.gz SUERBIFDLQMMBJ-CQSZACIVSA-N 2 0 299.459 1.334 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)[C@H](C)C(=O)NC1CCC(C)CC1 ZINC000629568527 363021517 /nfs/dbraw/zinc/02/15/17/363021517.db2.gz LAERYDGRIAKOAH-SHARSMKWSA-N 2 0 299.459 1.238 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CN[C@H]1CC[NH+](C)[C@H]2CCC[C@@H]21 ZINC000624101740 351420088 /nfs/dbraw/zinc/42/00/88/351420088.db2.gz ZDYXUSTXOZYHOG-KBXIAJHMSA-N 2 0 251.418 1.543 10 0 CDAERP CC[NH+](CC)[C@H](C)CN[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000355296715 366051647 /nfs/dbraw/zinc/05/16/47/366051647.db2.gz ZBDRIAOXYRPJFL-MCIONIFRSA-N 2 0 253.434 1.932 10 0 CDAERP CC(C)N1C(=O)C[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)CC1(C)C ZINC000414747248 366070839 /nfs/dbraw/zinc/07/08/39/366070839.db2.gz UEHBTQHQOGMKIQ-KBPBESRZSA-N 2 0 281.444 1.706 10 0 CDAERP C[C@H]1CC[NH2+]C[C@H]1Nc1cc(N2CCSCC2)ncn1 ZINC000333930509 363233218 /nfs/dbraw/zinc/23/32/18/363233218.db2.gz ZEYIINPYJLPGQW-NWDGAFQWSA-N 2 0 293.440 1.440 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1ccccc1NC(C)=O ZINC000629652703 363251478 /nfs/dbraw/zinc/25/14/78/363251478.db2.gz CXHMVHMUDWTCCP-UHFFFAOYSA-N 2 0 279.384 1.313 10 0 CDAERP C[C@@H](C[NH2+]CCOCCC[NH3+])c1ccc(F)cc1 ZINC000629681824 363331278 /nfs/dbraw/zinc/33/12/78/363331278.db2.gz VFFWKASTYYBQIY-LBPRGKRZSA-N 2 0 254.349 1.884 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)CC[NH2+]1 ZINC000369093942 291038385 /nfs/dbraw/zinc/03/83/85/291038385.db2.gz YGOHWIYPBVKDRE-ZQDZILKHSA-N 2 0 279.428 1.365 10 0 CDAERP COC[C@@H](C)C[N@@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000581835020 356207603 /nfs/dbraw/zinc/20/76/03/356207603.db2.gz KCGKHQUAMNIMHZ-GJZGRUSLSA-N 2 0 270.417 1.456 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000636100762 363513578 /nfs/dbraw/zinc/51/35/78/363513578.db2.gz OXHDPFWHADILGP-LJISPDSOSA-N 2 0 279.428 1.460 10 0 CDAERP CCOC(=O)[C@H]1CCC[N@@H+](C2CCC3(C[C@H]3[NH3+])CC2)C1 ZINC000725271250 538461625 /nfs/dbraw/zinc/46/16/25/538461625.db2.gz ZPGSMGCLAFJFMU-PGOFDVKTSA-N 2 0 280.412 1.922 10 0 CDAERP CCC1(C)CC[NH+](C2CCN(CC[NH3+])CC2)CC1 ZINC000725273793 538463504 /nfs/dbraw/zinc/46/35/04/538463504.db2.gz HDQVHNPQTSCTKD-UHFFFAOYSA-N 2 0 253.434 1.922 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417528237 290502073 /nfs/dbraw/zinc/50/20/73/290502073.db2.gz FFCFBGBZKMSELE-ZQDZILKHSA-N 2 0 294.443 1.110 10 0 CDAERP CC[C@H](CO)[NH+]1CCN(CC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000659961342 412643894 /nfs/dbraw/zinc/64/38/94/412643894.db2.gz SWEMQSNAEQTBEZ-YESZJQIVSA-N 2 0 297.487 1.353 10 0 CDAERP C[C@H](CC[N@H+](C)CC1(CO)CC1)[NH+](C)CC1(CO)CC1 ZINC000446072876 538799387 /nfs/dbraw/zinc/79/93/87/538799387.db2.gz RIGGJXSYRCTHLX-CQSZACIVSA-N 2 0 284.444 1.174 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)C[C@](C)(O)C2CC2)C1 ZINC000634702053 357375936 /nfs/dbraw/zinc/37/59/36/357375936.db2.gz ZXXOUEQAFRBCPK-OIISXLGYSA-N 2 0 298.471 1.608 10 0 CDAERP CNC(=O)C[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c1ccccc1 ZINC000423099408 283339429 /nfs/dbraw/zinc/33/94/29/283339429.db2.gz UCZAFNHGHZAITO-OBJOEFQTSA-N 2 0 263.385 1.579 10 0 CDAERP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634743173 358185618 /nfs/dbraw/zinc/18/56/18/358185618.db2.gz LGARTTQMIGMGRH-IYBDPMFKSA-N 2 0 288.395 1.219 10 0 CDAERP CC[N@H+](CCF)CCCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001660601307 1172240826 /nfs/dbraw/zinc/24/08/26/1172240826.db2.gz LQRVDVYARIKRFF-HUUCEWRRSA-N 2 0 299.434 1.801 10 0 CDAERP C[NH2+][C@@H](CCO)C1CC[NH+](Cc2ccccc2)CC1 ZINC000095075728 358674180 /nfs/dbraw/zinc/67/41/80/358674180.db2.gz CXKSLZBMNOGNDC-INIZCTEOSA-N 2 0 262.397 1.869 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000567821215 358693071 /nfs/dbraw/zinc/69/30/71/358693071.db2.gz WWWMVDCNOYXAFM-WSOGJNRSSA-N 2 0 282.432 1.427 10 0 CDAERP CC1CC[NH+](CCNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000055089414 358767655 /nfs/dbraw/zinc/76/76/55/358767655.db2.gz QBIZBOUWUXTZRI-UONOGXRCSA-N 2 0 267.417 1.352 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)c1ccccc1CC[NH3+] ZINC000070551912 358968469 /nfs/dbraw/zinc/96/84/69/358968469.db2.gz SGFXEXQELYZSHM-AWEZNQCLSA-N 2 0 289.423 1.792 10 0 CDAERP CC1CC[NH+](CCNC(=O)c2ccccc2CC[NH3+])CC1 ZINC000070552594 358969342 /nfs/dbraw/zinc/96/93/42/358969342.db2.gz YPINTYYXMLSGQL-UHFFFAOYSA-N 2 0 289.423 1.650 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)CCC2CC[NH2+]CC2)[C@@H](C)C1 ZINC000236905178 358949461 /nfs/dbraw/zinc/94/94/61/358949461.db2.gz ORPMDLQGPOTXDM-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000335232400 359080107 /nfs/dbraw/zinc/08/01/07/359080107.db2.gz KRMNVCQIXRBGDJ-HUUCEWRRSA-N 2 0 293.455 1.757 10 0 CDAERP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1)C1CCCCC1 ZINC000261928120 359092338 /nfs/dbraw/zinc/09/23/38/359092338.db2.gz LISZEGFGACUCEE-QBPKDAKJSA-N 2 0 296.455 1.674 10 0 CDAERP CCC[C@H](C(=O)NCCC1CC[NH+](CC)CC1)[NH+](C)C ZINC000162300913 359102870 /nfs/dbraw/zinc/10/28/70/359102870.db2.gz CPLUHINFDSDWKK-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCC[NH2+]2)[C@H](C)C1 ZINC000637001029 359113599 /nfs/dbraw/zinc/11/35/99/359113599.db2.gz FSTALQXJXIMZTR-KFWWJZLASA-N 2 0 296.459 1.500 10 0 CDAERP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262326712 359159179 /nfs/dbraw/zinc/15/91/79/359159179.db2.gz GCMONNWUIWZIKM-RMRHIDDWSA-N 2 0 265.401 1.023 10 0 CDAERP [NH3+]C1(C(=O)N2CCC(C[NH+]3CCCC3)CC2)CCCC1 ZINC000037826201 359234272 /nfs/dbraw/zinc/23/42/72/359234272.db2.gz QOEUFYCMRRRUEF-UHFFFAOYSA-N 2 0 279.428 1.592 10 0 CDAERP Cc1cnn(CC[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000335280517 359476112 /nfs/dbraw/zinc/47/61/12/359476112.db2.gz UMCUHYXCPJCEIV-AWEZNQCLSA-N 2 0 262.401 1.656 10 0 CDAERP C[NH+]1CCC(C[NH2+][C@H]2CCC[C@H]2[NH3+])(N2CCCCC2)CC1 ZINC000422796388 359658148 /nfs/dbraw/zinc/65/81/48/359658148.db2.gz YJWDYIFXTCGOEH-CVEARBPZSA-N 3 0 294.487 1.406 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000422889466 359667204 /nfs/dbraw/zinc/66/72/04/359667204.db2.gz PRHCQUIFEYVINZ-APIJFGDWSA-N 2 0 253.434 1.837 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000422921443 359676290 /nfs/dbraw/zinc/67/62/90/359676290.db2.gz PTXSDNRYLOIEBX-UMSGYPCISA-N 2 0 253.390 1.103 10 0 CDAERP CCOC(=O)C1([C@@H](C)[NH2+]C2CC(C)C2)CC[NH2+]CC1 ZINC000422920244 359676391 /nfs/dbraw/zinc/67/63/91/359676391.db2.gz MAKHZHQHQFYKBW-OTTFEQOBSA-N 2 0 268.401 1.696 10 0 CDAERP CCC[N@@H+]1CC[C@H](CN[C@H](C)c2c[nH+]ccc2N)C1 ZINC000422972619 359730072 /nfs/dbraw/zinc/73/00/72/359730072.db2.gz MJFDBMCDKPTYMR-CHWSQXEVSA-N 2 0 262.401 1.877 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CC2(O)CCC2)CC1 ZINC000336843685 359911181 /nfs/dbraw/zinc/91/11/81/359911181.db2.gz XSGXXQFOLRBKEO-HZPDHXFCSA-N 2 0 295.471 1.392 10 0 CDAERP C1[C@@H]2C[C@@H]([NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C[C@H]12 ZINC000424368470 360023779 /nfs/dbraw/zinc/02/37/79/360023779.db2.gz BIPYJTNAVCRFKN-JLZCTACVSA-N 2 0 250.386 1.532 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424377948 360028717 /nfs/dbraw/zinc/02/87/17/360028717.db2.gz NFMJIAYLSQRJRE-PSWFKFNGSA-N 2 0 252.402 1.765 10 0 CDAERP O=C(c1ccc2nccn2c1)N1CCC2(CC[NH2+]2)CC1 ZINC000335406444 360226599 /nfs/dbraw/zinc/22/65/99/360226599.db2.gz LZHPPNGJQXUFAV-UHFFFAOYSA-N 2 0 270.336 1.302 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000121868864 360265300 /nfs/dbraw/zinc/26/53/00/360265300.db2.gz MDEGNIXRMVKLSD-NRXISQOPSA-N 2 0 296.459 1.500 10 0 CDAERP CC(=O)NC1CCC([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000348636315 360502619 /nfs/dbraw/zinc/50/26/19/360502619.db2.gz AJJZNPWZHIZQMZ-IGFOULAYSA-N 2 0 281.444 1.752 10 0 CDAERP C[C@H](CNC(=O)N[C@@H]1CC[NH2+][C@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000626934920 360654222 /nfs/dbraw/zinc/65/42/22/360654222.db2.gz RGPMQGSHJSYMFD-YIYPIFLZSA-N 2 0 282.432 1.156 10 0 CDAERP C[N@@H+]1CC[C@H](NC(=O)C2CC[NH2+]CC2)[C@H]1c1ccccc1 ZINC000245926233 360765380 /nfs/dbraw/zinc/76/53/80/360765380.db2.gz HQHRGUNNQWKSLC-JKSUJKDBSA-N 2 0 287.407 1.548 10 0 CDAERP C[N@H+](CCNC(=O)NC1CC[NH+](C)CC1)C1CCCCC1 ZINC000338279219 360802225 /nfs/dbraw/zinc/80/22/25/360802225.db2.gz CGZXYOPRPSRCCI-UHFFFAOYSA-N 2 0 296.459 1.644 10 0 CDAERP C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000334949059 283590116 /nfs/dbraw/zinc/59/01/16/283590116.db2.gz COVJQMXGHCAKNG-CHWSQXEVSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCCC[NH+](C)C2)CC[N@@H+]1C ZINC000628751692 361010899 /nfs/dbraw/zinc/01/08/99/361010899.db2.gz BGGHVTJIUWEIAK-ZNMIVQPWSA-N 2 0 281.444 1.565 10 0 CDAERP CCCCNC(=O)[C@@H](C)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000582181798 361021402 /nfs/dbraw/zinc/02/14/02/361021402.db2.gz RPUMAGYDBZSTBC-HIFRSBDPSA-N 2 0 267.417 1.367 10 0 CDAERP CN1CCOC[C@H]1CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC000628915380 361295667 /nfs/dbraw/zinc/29/56/67/361295667.db2.gz RQCDHGUZXBGFRO-OAHLLOKOSA-N 2 0 297.443 1.088 10 0 CDAERP CC[NH+](CC)CCCN1CCO[C@@H]2CC[N@H+](CC)C[C@@H]21 ZINC000339397781 361479747 /nfs/dbraw/zinc/47/97/47/361479747.db2.gz ZIMPKAVOSTXDTF-JKSUJKDBSA-N 2 0 283.460 1.513 10 0 CDAERP COC[C@H](C)C[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000187863178 364845021 /nfs/dbraw/zinc/84/50/21/364845021.db2.gz HXLNGABQQRDXKN-CQSZACIVSA-N 2 0 271.449 1.132 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000136339940 482911931 /nfs/dbraw/zinc/91/19/31/482911931.db2.gz RKMYFJISCCCRCG-FRRDWIJNSA-N 2 0 253.390 1.103 10 0 CDAERP COC[C@@H]([NH2+]Cc1ccc2c[nH+]cn2c1)C1CCOCC1 ZINC000414177730 241099329 /nfs/dbraw/zinc/09/93/29/241099329.db2.gz ILGWQNPKOFIUKP-MRXNPFEDSA-N 2 0 289.379 1.866 10 0 CDAERP C[C@H]1C[C@@H](C[NH+]2CCN(CC(F)F)CC2)CC[NH2+]1 ZINC000414685725 241320294 /nfs/dbraw/zinc/32/02/94/241320294.db2.gz DMIYWTYXLKGTJU-RYUDHWBXSA-N 2 0 261.360 1.257 10 0 CDAERP c1cc(C[NH2+]CC[C@H]2CC[NH2+]C2)n(-c2ccccc2)n1 ZINC000414833634 367076079 /nfs/dbraw/zinc/07/60/79/367076079.db2.gz PPONYEIQIOLBCP-CQSZACIVSA-N 2 0 270.380 1.962 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000626982682 367132244 /nfs/dbraw/zinc/13/22/44/367132244.db2.gz OZRXMIZDJUBKJC-SOUVJXGZSA-N 2 0 296.459 1.691 10 0 CDAERP Cn1ncc(Br)c1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414839941 367163129 /nfs/dbraw/zinc/16/31/29/367163129.db2.gz WUFHHGRKKQBNBA-SECBINFHSA-N 2 0 287.205 1.272 10 0 CDAERP O=C(NCCC[C@H]1CCC[NH2+]1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627100725 367439888 /nfs/dbraw/zinc/43/98/88/367439888.db2.gz PEOKFICHOJOJTC-CHWSQXEVSA-N 2 0 280.416 1.102 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627109552 367457652 /nfs/dbraw/zinc/45/76/52/367457652.db2.gz WZZYERCSWHTDRZ-CQSZACIVSA-N 2 0 296.459 1.548 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH2+][C@H]2CC)C1 ZINC000627166619 367599653 /nfs/dbraw/zinc/59/96/53/367599653.db2.gz GYUQZHGPLUIVQM-SOUVJXGZSA-N 2 0 296.459 1.500 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NCC([NH3+])(CC)CC ZINC000417005617 242261366 /nfs/dbraw/zinc/26/13/66/242261366.db2.gz JDMAPBPJSKHNHB-GFCCVEGCSA-N 2 0 272.437 1.533 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)C[NH+]1CCCC1 ZINC000235492341 367639347 /nfs/dbraw/zinc/63/93/47/367639347.db2.gz WMJDUXHPHUFEQR-RDBSUJKOSA-N 2 0 267.417 1.223 10 0 CDAERP O=C([C@H]1CCCC[NH2+]1)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000373039432 296102707 /nfs/dbraw/zinc/10/27/07/296102707.db2.gz FTMCUZSKWDJBHI-HUUCEWRRSA-N 2 0 279.428 1.605 10 0 CDAERP CC[NH2+]CCNC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000417182420 242348721 /nfs/dbraw/zinc/34/87/21/242348721.db2.gz JBPYVIZWLDYHFD-OAHLLOKOSA-N 2 0 292.427 1.068 10 0 CDAERP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627206066 367702022 /nfs/dbraw/zinc/70/20/22/367702022.db2.gz WKJYBJIDCQVZQN-NFAWXSAZSA-N 2 0 296.459 1.499 10 0 CDAERP C[C@H]1CC[C@H](NC(=O)N(CC[NH3+])Cc2ccccc2)C[NH2+]1 ZINC000627207681 367705101 /nfs/dbraw/zinc/70/51/01/367705101.db2.gz RYFFXCXDZCZONZ-ZFWWWQNUSA-N 2 0 290.411 1.297 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C[NH2+]1 ZINC000627196275 367683341 /nfs/dbraw/zinc/68/33/41/367683341.db2.gz RMIAYTCWAGSVMF-RBSFLKMASA-N 2 0 294.443 1.397 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)C[NH2+]1 ZINC000627199029 367689136 /nfs/dbraw/zinc/68/91/36/367689136.db2.gz QCQLQRWDZCGFIV-MCIONIFRSA-N 2 0 282.432 1.110 10 0 CDAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627200668 367692725 /nfs/dbraw/zinc/69/27/25/367692725.db2.gz SWARQZXVGCHSCH-XQLPTFJDSA-N 2 0 294.443 1.395 10 0 CDAERP CCN(CCC[NH+](CC)CC)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627202405 367696286 /nfs/dbraw/zinc/69/62/86/367696286.db2.gz IYHNFBITZTVHOF-CABCVRRESA-N 2 0 298.475 1.890 10 0 CDAERP COC(=O)CC[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000282131304 367740058 /nfs/dbraw/zinc/74/00/58/367740058.db2.gz RIUJHEZWZRDENO-ZDUSSCGKSA-N 2 0 291.395 1.962 10 0 CDAERP CC[C@@H]1C[N@H+](CC)CCN1C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627207988 367709184 /nfs/dbraw/zinc/70/91/84/367709184.db2.gz VGPGREYLQQXUJH-MELADBBJSA-N 2 0 282.432 1.253 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)C[NH2+]1 ZINC000627207935 367709939 /nfs/dbraw/zinc/70/99/39/367709939.db2.gz UPBSTCBGJCJNDJ-YCPHGPKFSA-N 2 0 294.443 1.254 10 0 CDAERP C[NH+](C)C1(CNC(=O)C2=CC[C@@H]([NH3+])C2)CCCC1 ZINC000638049597 367785548 /nfs/dbraw/zinc/78/55/48/367785548.db2.gz MZEAHTANALALNU-GFCCVEGCSA-N 2 0 251.374 1.025 10 0 CDAERP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000414944526 370889376 /nfs/dbraw/zinc/88/93/76/370889376.db2.gz PZCHBTICUFPWPT-JQWIXIFHSA-N 2 0 291.420 1.688 10 0 CDAERP C[NH+](C)Cc1ccccc1CNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638053604 367857023 /nfs/dbraw/zinc/85/70/23/367857023.db2.gz KGCQVKZRWCXJRV-HNNXBMFYSA-N 2 0 273.380 1.412 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000627244904 367857167 /nfs/dbraw/zinc/85/71/67/367857167.db2.gz KJTHIAQRJFTYAI-XQLPTFJDSA-N 2 0 294.443 1.301 10 0 CDAERP COC1(C[NH2+]CCCC[NH+]2CCOCC2)CCCC1 ZINC000359964938 368053076 /nfs/dbraw/zinc/05/30/76/368053076.db2.gz ZIYZWUDJUOAMTF-UHFFFAOYSA-N 2 0 270.417 1.648 10 0 CDAERP O=C(CCC1C[NH2+]C1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000638075431 368074521 /nfs/dbraw/zinc/07/45/21/368074521.db2.gz RISFVKKBSNJUMV-AWEZNQCLSA-N 2 0 265.401 1.073 10 0 CDAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000418584488 243238829 /nfs/dbraw/zinc/23/88/29/243238829.db2.gz CCQUCESPDBEYDN-QWHCGFSZSA-N 2 0 282.432 1.110 10 0 CDAERP CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000418590081 243246234 /nfs/dbraw/zinc/24/62/34/243246234.db2.gz JHTTWCKBXVQTCH-KBPBESRZSA-N 2 0 284.448 1.358 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000418596822 243256748 /nfs/dbraw/zinc/25/67/48/243256748.db2.gz PDDJGYYECJRMCI-HIFRSBDPSA-N 2 0 296.459 1.358 10 0 CDAERP C[N@H+](C[C@@H](O)CNc1ccc2c(c1)C[NH+](C)C2)C1CC1 ZINC000567228885 370923309 /nfs/dbraw/zinc/92/33/09/370923309.db2.gz DJCHSNYSJDKLEX-INIZCTEOSA-N 2 0 275.396 1.499 10 0 CDAERP C[C@@H]1COCCN1CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353493734 368832627 /nfs/dbraw/zinc/83/26/27/368832627.db2.gz VESGOULXLHKLGJ-QXSJWSMHSA-N 2 0 281.444 1.170 10 0 CDAERP CC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)CC1CCC1 ZINC000361481576 368842500 /nfs/dbraw/zinc/84/25/00/368842500.db2.gz OMGFZYCJUYLVLW-UHFFFAOYSA-N 2 0 293.455 1.851 10 0 CDAERP CO[C@@H]1C[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)[C@@](C)(C[NH3+])C1 ZINC000630364462 368793212 /nfs/dbraw/zinc/79/32/12/368793212.db2.gz DWLXUVYKZIIWKB-NIFZNCRKSA-N 2 0 252.402 1.861 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000418114232 369132313 /nfs/dbraw/zinc/13/23/13/369132313.db2.gz LJKOKUPQWBMLFR-GVXVVHGQSA-N 2 0 268.405 1.038 10 0 CDAERP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000367520799 369175712 /nfs/dbraw/zinc/17/57/12/369175712.db2.gz ZEKCIBDNJQMCNL-DZGCQCFKSA-N 2 0 291.443 1.403 10 0 CDAERP CC(=O)N1CCC(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000367604961 369197297 /nfs/dbraw/zinc/19/72/97/369197297.db2.gz DRTABIBUPWOZHC-BBWFWOEESA-N 2 0 293.455 1.707 10 0 CDAERP Cc1nccn1CCC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420360627 244141842 /nfs/dbraw/zinc/14/18/42/244141842.db2.gz GNCFSUKFQPXCRL-HNNXBMFYSA-N 2 0 262.401 1.657 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2(N3CCOCC3)CC2)[C@H]2CCC[C@H]21 ZINC000367627546 369201937 /nfs/dbraw/zinc/20/19/37/369201937.db2.gz UEGLZDRLNFSAOR-OWCLPIDISA-N 2 0 293.455 1.314 10 0 CDAERP c1cnn(C2CC([NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)C2)c1 ZINC000638359796 369525238 /nfs/dbraw/zinc/52/52/38/369525238.db2.gz RUWUBUMNRWONQS-OPFPJEHXSA-N 2 0 260.385 1.661 10 0 CDAERP CN(C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC000368698162 369568996 /nfs/dbraw/zinc/56/89/96/369568996.db2.gz IWWQTPQLZGIGLQ-MRXNPFEDSA-N 2 0 299.434 1.752 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH+]2CCC[C@H](C)C2)CC[N@@H+]1C ZINC000630812530 370034592 /nfs/dbraw/zinc/03/45/92/370034592.db2.gz YGZARLBYJUAZBU-XUWVNRHRSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)[NH+]1CCN(CCC[N@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)CC1 ZINC000249288332 370134759 /nfs/dbraw/zinc/13/47/59/370134759.db2.gz OYNMMVVIQIEKFR-BJWYYQGGSA-N 2 0 297.487 1.636 10 0 CDAERP C[C@H]1C[C@H](N(C)C(=O)COC2CCC([NH3+])CC2)CC[N@@H+]1C ZINC000564929668 370302083 /nfs/dbraw/zinc/30/20/83/370302083.db2.gz QDAIPFOVRHNRPQ-FGZQJIAISA-N 2 0 297.443 1.214 10 0 CDAERP Brc1cnccc1NC[C@@H]1C[NH2+]CCCO1 ZINC000389821982 370334220 /nfs/dbraw/zinc/33/42/20/370334220.db2.gz QMVJMZYTAJTROQ-VIFPVBQESA-N 2 0 286.173 1.056 10 0 CDAERP Nc1nccc([C@H]2CCC[N@H+](CC[C@H]3CC[NH2+]C3)C2)n1 ZINC000565412071 370440721 /nfs/dbraw/zinc/44/07/21/370440721.db2.gz GLDRLKVMDVRKPT-OLZOCXBDSA-N 2 0 275.400 1.068 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000422766148 245229348 /nfs/dbraw/zinc/22/93/48/245229348.db2.gz LLSBSWAHNPVIOC-LSDHHAIUSA-N 2 0 291.439 1.734 10 0 CDAERP O=C1CCCN1CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422770233 245235139 /nfs/dbraw/zinc/23/51/39/245235139.db2.gz PXHYWBCGNGOJMQ-BZUAXINKSA-N 2 0 293.455 1.899 10 0 CDAERP CCC[C@@H](C(=O)N1CC[C@@H](C[NH+](CC)CC)C1)[NH+](C)C ZINC000122843778 371106169 /nfs/dbraw/zinc/10/61/69/371106169.db2.gz ISCTYVRBDGHAFB-GJZGRUSLSA-N 2 0 283.460 1.907 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCc1cc(F)ccc1F ZINC000422824082 245303279 /nfs/dbraw/zinc/30/32/79/245303279.db2.gz MUGBAOWFQONXGQ-XEGUGMAKSA-N 2 0 284.350 1.849 10 0 CDAERP CC(C)[NH2+]CCCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000572958720 371361317 /nfs/dbraw/zinc/36/13/17/371361317.db2.gz FWQPOLOEPZEBTK-XJKCOSOUSA-N 2 0 297.443 1.023 10 0 CDAERP CC(C)[C@H](C[NH2+][C@@H]1C[C@H](C)[C@@H]1C)N1CC[NH+](C)CC1 ZINC000336819058 371640561 /nfs/dbraw/zinc/64/05/61/371640561.db2.gz YBHUKCLKOTUHBX-JONQDZQNSA-N 2 0 267.461 1.893 10 0 CDAERP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCNC(=O)c1ccccc1 ZINC000422913174 245399463 /nfs/dbraw/zinc/39/94/63/245399463.db2.gz PECRVWBKVHNZJC-HIFRSBDPSA-N 2 0 275.396 1.394 10 0 CDAERP C[NH2+]C[C@H]1CCCN1C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000580644852 372053241 /nfs/dbraw/zinc/05/32/41/372053241.db2.gz YTGKVHGXCSQSJN-ZIAGYGMSSA-N 2 0 267.417 1.461 10 0 CDAERP C[C@@H](C(=O)N1CC[NH+]2CCC[C@@H]2C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000171278674 372155627 /nfs/dbraw/zinc/15/56/27/372155627.db2.gz WHWIHCGSNFUERY-LJISPDSOSA-N 2 0 279.428 1.554 10 0 CDAERP C(C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)C[C@@H]1CCO1 ZINC000638668172 372274060 /nfs/dbraw/zinc/27/40/60/372274060.db2.gz JKZWCONOKWKECS-GDBMZVCRSA-N 2 0 282.428 1.646 10 0 CDAERP COCCN(C)C[C@H](O)C[N@@H+]1C[C@H](C)C[C@H](C)[C@@H]1C ZINC000394063365 372337503 /nfs/dbraw/zinc/33/75/03/372337503.db2.gz QXPHOSCWGGBGCM-QPSCCSFWSA-N 2 0 272.433 1.292 10 0 CDAERP COCC[NH2+]C1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000578513616 372488513 /nfs/dbraw/zinc/48/85/13/372488513.db2.gz YHSRQYVQFFQAGP-CYBMUJFWSA-N 2 0 256.390 1.113 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N(C)CC[NH+](C)C)CC1 ZINC000176414250 372729586 /nfs/dbraw/zinc/72/95/86/372729586.db2.gz HBGITENFJSAAIF-UHFFFAOYSA-N 2 0 284.448 1.311 10 0 CDAERP Fc1ccc([C@@H]([NH2+]CC2CC[NH2+]CC2)c2cnn[nH]2)cc1 ZINC000580827691 372706674 /nfs/dbraw/zinc/70/66/74/372706674.db2.gz DYTCRAOIORXATK-OAHLLOKOSA-N 2 0 289.358 1.622 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]CCc2c(C)nn(C)c2C)[C@H](C)C1 ZINC000177745020 372890747 /nfs/dbraw/zinc/89/07/47/372890747.db2.gz ABWFROBHLRQRKX-WBMJQRKESA-N 2 0 278.444 1.899 10 0 CDAERP CC[N@H+](C)C[C@@H](O)C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000380979657 372929787 /nfs/dbraw/zinc/92/97/87/372929787.db2.gz ACUKXONQFDDBLI-CGAUPDFVSA-N 2 0 266.429 1.713 10 0 CDAERP C[NH+](C)CCCCC(=O)NC[C@@H]1CCC[N@H+](CCF)C1 ZINC001661748149 1172439379 /nfs/dbraw/zinc/43/93/79/1172439379.db2.gz NIMWDBDTEKVXBU-AWEZNQCLSA-N 2 0 287.423 1.516 10 0 CDAERP CC(C)[C@H](C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)[C@H](C)[NH3+] ZINC000581879137 373296050 /nfs/dbraw/zinc/29/60/50/373296050.db2.gz NQMPPAPKUDNYBX-YJNKXOJESA-N 2 0 281.444 1.549 10 0 CDAERP C[C@H]1C[C@H](N(C)C(=O)NCC[NH+](C)C2CC2)CC[N@@H+]1C ZINC000341112762 373309404 /nfs/dbraw/zinc/30/94/04/373309404.db2.gz APPKDZSGLJYWAG-GXTWGEPZSA-N 2 0 282.432 1.205 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2CCC[NH2+]CC2)cc1 ZINC000638762335 373525079 /nfs/dbraw/zinc/52/50/79/373525079.db2.gz ZVJCUSGUUBHJAB-IUODEOHRSA-N 2 0 290.411 1.648 10 0 CDAERP Cc1nccn1C[C@H]1CCCN1CC[NH2+]C(C)C ZINC000193456129 373751341 /nfs/dbraw/zinc/75/13/41/373751341.db2.gz DQNOFLRKGKGTMA-CQSZACIVSA-N 2 0 250.390 1.654 10 0 CDAERP COc1ccc(NC(=O)CC[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000631837331 373756900 /nfs/dbraw/zinc/75/69/00/373756900.db2.gz ANXOJHKKAGYGQB-CHWSQXEVSA-N 2 0 291.395 1.550 10 0 CDAERP C[C@@H](C[NH2+]CCN1CC[C@@H](O)C1)Cc1ccccc1 ZINC000628464525 374182776 /nfs/dbraw/zinc/18/27/76/374182776.db2.gz AAUIAJLNPLINLP-GDBMZVCRSA-N 2 0 262.397 1.521 10 0 CDAERP CO[C@@H]1CCC[C@H]([NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)C1 ZINC000300268559 541902174 /nfs/dbraw/zinc/90/21/74/541902174.db2.gz RSQAAWHHPIUGHG-GVDBMIGSSA-N 2 0 297.487 1.806 10 0 CDAERP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)C[C@@H]1C ZINC000418605688 374423511 /nfs/dbraw/zinc/42/35/11/374423511.db2.gz YXMIDPVXABQMCY-XDQVBPFNSA-N 2 0 282.432 1.109 10 0 CDAERP COc1cccc([C@H](C[NH2+][C@@H]2CN(C)C[C@H]2C)N(C)C)c1 ZINC000342954287 374774054 /nfs/dbraw/zinc/77/40/54/374774054.db2.gz XGQFCLZWZFTAJY-XYPHTWIQSA-N 2 0 291.439 1.838 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCF ZINC001661925744 1172468332 /nfs/dbraw/zinc/46/83/32/1172468332.db2.gz MIFQZHWUAVXHPI-HUUCEWRRSA-N 2 0 299.434 1.801 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000416821483 375684512 /nfs/dbraw/zinc/68/45/12/375684512.db2.gz LXGWJPWHZKUVKR-KGLIPLIRSA-N 2 0 296.459 1.548 10 0 CDAERP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000643479622 375850439 /nfs/dbraw/zinc/85/04/39/375850439.db2.gz FCEZQRKUOYNRIO-UONOGXRCSA-N 3 0 253.434 1.696 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCCCC[NH+](C)C)CC[N@@H+]1C ZINC000631274129 376057948 /nfs/dbraw/zinc/05/79/48/376057948.db2.gz GWDDJMJWKIKNPT-QWHCGFSZSA-N 2 0 255.406 1.175 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000638974539 376313171 /nfs/dbraw/zinc/31/31/71/376313171.db2.gz ACQWKBKZXHNTDI-KGLIPLIRSA-N 2 0 281.444 1.837 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@@H]2CC[NH2+][C@@H]2C)CC1 ZINC000638975227 376326064 /nfs/dbraw/zinc/32/60/64/376326064.db2.gz HGNMEGOLAYTUIV-CHWSQXEVSA-N 2 0 267.417 1.317 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000638975549 376327869 /nfs/dbraw/zinc/32/78/69/376327869.db2.gz KYWOMWCVRNBHJZ-UONOGXRCSA-N 2 0 281.444 1.694 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)CC2([NH3+])CC2)CC1 ZINC000638979513 376342602 /nfs/dbraw/zinc/34/26/02/376342602.db2.gz DCRIPKMLZKUGJE-UHFFFAOYSA-N 2 0 253.390 1.201 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CCc3ccccc32)CC[N@@H+]1C ZINC000246393294 376654949 /nfs/dbraw/zinc/65/49/49/376654949.db2.gz LCQONWGCYSPWNS-UNEWFSDZSA-N 2 0 274.408 1.893 10 0 CDAERP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC(CCF)CC1 ZINC000631836712 376684327 /nfs/dbraw/zinc/68/43/27/376684327.db2.gz FOUNBQSUZKIKKN-IRXDYDNUSA-N 2 0 294.414 1.989 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)C2([NH3+])Cc3ccccc3C2)C1 ZINC000165941175 376758769 /nfs/dbraw/zinc/75/87/69/376758769.db2.gz USVLOVLWRHSCAA-OAHLLOKOSA-N 2 0 287.407 1.083 10 0 CDAERP NC(=O)c1ccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631888213 376782556 /nfs/dbraw/zinc/78/25/56/376782556.db2.gz XJOARYOKSUDGPT-LSDHHAIUSA-N 2 0 273.380 1.359 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+]3CCC[C@H]3C2)C[N@@H+]1C1CC1 ZINC000246736968 376974384 /nfs/dbraw/zinc/97/43/84/376974384.db2.gz YAZBKRISBSCXCQ-NFAWXSAZSA-N 2 0 292.427 1.101 10 0 CDAERP CC[C@@H](C(=O)NCC[N@@H+]1CCCC[C@H]1C)[NH+](C)C ZINC000248042433 377195721 /nfs/dbraw/zinc/19/57/21/377195721.db2.gz UBSJBWBMOBTVHA-OLZOCXBDSA-N 2 0 255.406 1.317 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C[C@H](O)C(F)(F)F)[C@@H](C)C1 ZINC000248397037 377254994 /nfs/dbraw/zinc/25/49/94/377254994.db2.gz RABZRQAMMWEFFA-DCAQKATOSA-N 2 0 268.323 1.572 10 0 CDAERP [NH3+]CC1CCN(C(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000334934242 377700229 /nfs/dbraw/zinc/70/02/29/377700229.db2.gz JDRKEJGDXRYTBZ-UHFFFAOYSA-N 2 0 282.432 1.418 10 0 CDAERP C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)C1 ZINC000417536626 377899171 /nfs/dbraw/zinc/89/91/71/377899171.db2.gz QSUFOMRLMVPOPY-APIJFGDWSA-N 2 0 296.459 1.628 10 0 CDAERP CC(C)[NH+]1CCC(N(C)C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261746009 377894933 /nfs/dbraw/zinc/89/49/33/377894933.db2.gz IZSGMGTYMGFIGH-HNNXBMFYSA-N 2 0 253.434 1.791 10 0 CDAERP Cc1ncccc1C[NH2+]CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000069349886 378019346 /nfs/dbraw/zinc/01/93/46/378019346.db2.gz FRVKGOXYZXVOPL-CYBMUJFWSA-N 2 0 277.412 1.572 10 0 CDAERP COCCC[NH2+][C@@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001662349304 1172534690 /nfs/dbraw/zinc/53/46/90/1172534690.db2.gz BCWVQMJDAFTGKE-GJZGRUSLSA-N 2 0 299.459 1.382 10 0 CDAERP C[C@H](CN[C@@H]1C[N@H+](C)C[C@@H]1C)C[NH+]1CCCCC1 ZINC000343397070 378860315 /nfs/dbraw/zinc/86/03/15/378860315.db2.gz BRDRDEAJLAKXBU-QLFBSQMISA-N 2 0 253.434 1.648 10 0 CDAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)C3CCC([NH3+])CC3)CC[C@@H]21 ZINC000130119398 412899325 /nfs/dbraw/zinc/89/93/25/412899325.db2.gz LTRSKXGSZUQBGW-JYVUQVBGSA-N 2 0 279.428 1.447 10 0 CDAERP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(C[NH3+])cc2)C1 ZINC000334571232 379061700 /nfs/dbraw/zinc/06/17/00/379061700.db2.gz DLEPQAQYIXVFMY-BXUZGUMPSA-N 2 0 261.369 1.345 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cccnc1 ZINC000657574552 412906217 /nfs/dbraw/zinc/90/62/17/412906217.db2.gz ZECIYTCLJFHKSE-AWEZNQCLSA-N 2 0 264.417 1.443 10 0 CDAERP C=Cn1cc(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)cn1 ZINC000657573528 412907592 /nfs/dbraw/zinc/90/75/92/412907592.db2.gz PIVDPMXHCGQQJS-AWEZNQCLSA-N 2 0 279.432 1.345 10 0 CDAERP CN(C(=O)NC[C@@H]1CCCC[NH2+]1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000634270309 379277789 /nfs/dbraw/zinc/27/77/89/379277789.db2.gz MTELYEKATZPZGE-WJLOJVBCSA-N 2 0 280.416 1.053 10 0 CDAERP CC(C)[C@H]1CN(C(=O)CC[C@@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC000634300803 379360405 /nfs/dbraw/zinc/36/04/05/379360405.db2.gz MDPOMVKCAQXUBJ-UONOGXRCSA-N 2 0 267.417 1.317 10 0 CDAERP CC(C)[NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000662355990 412918383 /nfs/dbraw/zinc/91/83/83/412918383.db2.gz JQUXIULUOUPFOB-UHFFFAOYSA-N 2 0 289.423 1.897 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C/C=C\CO ZINC000657594275 412920089 /nfs/dbraw/zinc/92/00/89/412920089.db2.gz NZRRNXYRDGJYOV-IHWYPQMZSA-N 2 0 258.325 1.214 10 0 CDAERP C[C@@H]1CCCCN1CC[NH2+]C1CCC(C[NH3+])CC1 ZINC000422866315 296312501 /nfs/dbraw/zinc/31/25/01/296312501.db2.gz QDWIUSLPTNFZSR-WLYUNCDWSA-N 2 0 253.434 1.968 10 0 CDAERP C[NH+](C)[C@H]1CCCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655929338 412937103 /nfs/dbraw/zinc/93/71/03/412937103.db2.gz SKVKBHRUWHPNJZ-VHSXEESVSA-N 2 0 296.337 1.002 10 0 CDAERP COC(=O)C1(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)CC1 ZINC000450505548 251317779 /nfs/dbraw/zinc/31/77/79/251317779.db2.gz ZCFDXJRILXTUPQ-QWHCGFSZSA-N 2 0 266.385 1.356 10 0 CDAERP C[NH2+][C@@](C)(CO)CCCC[NH+]1CCC(COC)CC1 ZINC000085211807 184605191 /nfs/dbraw/zinc/60/51/91/184605191.db2.gz ZRVGUXRGJRDJMI-OAHLLOKOSA-N 2 0 272.433 1.486 10 0 CDAERP C[NH2+][C@H](C)c1csc(N2CCC([NH+](C)C)CC2)n1 ZINC000080804844 177709926 /nfs/dbraw/zinc/70/99/26/177709926.db2.gz HGVNYEJHNDSWES-SNVBAGLBSA-N 2 0 268.430 1.954 10 0 CDAERP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H]([NH3+])[C@H]2C)o1 ZINC000647044456 390375636 /nfs/dbraw/zinc/37/56/36/390375636.db2.gz CNJBRKOYVCIDAN-YPMHNXCESA-N 2 0 279.384 1.683 10 0 CDAERP CC[NH+](CC)CCN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000119675992 390562135 /nfs/dbraw/zinc/56/21/35/390562135.db2.gz SOAZMWKZGHLEOM-HNNXBMFYSA-N 2 0 253.434 1.746 10 0 CDAERP CN1CC[C@H](NC(=O)C[NH+](C)C)[C@@H]1c1ccc(F)cc1 ZINC000371061348 390642866 /nfs/dbraw/zinc/64/28/66/390642866.db2.gz DAMDVGJNKOKDIM-ZFWWWQNUSA-N 2 0 279.359 1.249 10 0 CDAERP CCO[C@@H]1C[N@H+](C[C@@H]2CCC(F)(F)C2)C[C@H]1C[NH3+] ZINC000405864745 390671656 /nfs/dbraw/zinc/67/16/56/390671656.db2.gz OXQIYKQKFQTQOP-IJLUTSLNSA-N 2 0 262.344 1.717 10 0 CDAERP COCCN(C)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367601949 390683876 /nfs/dbraw/zinc/68/38/76/390683876.db2.gz QPWTXEYAJHVKMJ-RBSFLKMASA-N 2 0 269.433 1.027 10 0 CDAERP C[C@]1(C[NH+]2CCC([C@H]3CCOC3)CC2)CC[NH2+]C1 ZINC000647539102 390685854 /nfs/dbraw/zinc/68/58/54/390685854.db2.gz WWSVEKVBSOBEFE-GJZGRUSLSA-N 2 0 252.402 1.735 10 0 CDAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C[NH+](CC)C1CC1 ZINC000153176645 390833892 /nfs/dbraw/zinc/83/38/92/390833892.db2.gz YGQRPVZPNYCZPK-UKRRQHHQSA-N 2 0 279.428 1.556 10 0 CDAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)C[NH3+] ZINC000237512870 390845674 /nfs/dbraw/zinc/84/56/74/390845674.db2.gz UIGOCNAEAOLZRH-HIFRSBDPSA-N 2 0 275.396 1.314 10 0 CDAERP CC(C)([NH3+])CCC(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648206235 390951807 /nfs/dbraw/zinc/95/18/07/390951807.db2.gz WQYDTMDTTJIKRM-NSHDSACASA-N 2 0 253.390 1.295 10 0 CDAERP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648209732 390952789 /nfs/dbraw/zinc/95/27/89/390952789.db2.gz AXQNXAJQGGWOPB-OLZOCXBDSA-N 2 0 281.444 1.802 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CC[NH2+]C(C)C ZINC000092629517 390901943 /nfs/dbraw/zinc/90/19/43/390901943.db2.gz HOPXTVZNSZSKRT-CYBMUJFWSA-N 2 0 255.406 1.317 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647479927 390966742 /nfs/dbraw/zinc/96/67/42/390966742.db2.gz YESUILXETWOXHM-SOUVJXGZSA-N 2 0 253.434 1.824 10 0 CDAERP CCOc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)nc1 ZINC000647544541 390985943 /nfs/dbraw/zinc/98/59/43/390985943.db2.gz QORDPHJDMISQLH-OKILXGFUSA-N 2 0 275.396 1.912 10 0 CDAERP C[C@@H]1C[NH2+]C[C@@H](NCCC[NH2+]Cc2cccnc2)C1 ZINC000647546594 390990193 /nfs/dbraw/zinc/99/01/93/390990193.db2.gz QYKLFLLTSCTERY-ZFWWWQNUSA-N 2 0 262.401 1.149 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H](N(CCC[NH3+])c2cccc(F)c2)C1 ZINC000647548443 390990942 /nfs/dbraw/zinc/99/09/42/390990942.db2.gz AWNUQIIPIFFWOI-SWLSCSKDSA-N 2 0 265.376 1.979 10 0 CDAERP CC(C)C[C@@H]([NH3+])C[NH2+]CCc1cn2ccccc2n1 ZINC000415114742 391034408 /nfs/dbraw/zinc/03/44/08/391034408.db2.gz TZVFOIVMWJOEJF-CYBMUJFWSA-N 2 0 260.385 1.840 10 0 CDAERP CCC(O)(CC)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000368608459 391036733 /nfs/dbraw/zinc/03/67/33/391036733.db2.gz OYQAZCSAQRKDJQ-MJBXVCDLSA-N 2 0 254.418 2.000 10 0 CDAERP CC(C)Cc1ncc(C[NH+]2CCC(O)(C[NH3+])CC2)s1 ZINC000415136189 391041729 /nfs/dbraw/zinc/04/17/29/391041729.db2.gz CCBADJKTSKLHEU-UHFFFAOYSA-N 2 0 283.441 1.627 10 0 CDAERP C[C@H](CC[NH3+])NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000417952666 391064856 /nfs/dbraw/zinc/06/48/56/391064856.db2.gz YIXJJBOXMLFDLQ-BPLDGKMQSA-N 2 0 290.411 1.468 10 0 CDAERP C[N@H+](CCCC1CC[NH2+]CC1)C[C@@H]1CCS(=O)(=O)C1 ZINC000647886606 391148596 /nfs/dbraw/zinc/14/85/96/391148596.db2.gz APSNLXOWDCTTAZ-AWEZNQCLSA-N 2 0 288.457 1.133 10 0 CDAERP CCOC(=O)[C@@H](CC)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000310897606 391320256 /nfs/dbraw/zinc/32/02/56/391320256.db2.gz AMAJUXUQOYJCBT-TZMCWYRMSA-N 2 0 254.374 1.356 10 0 CDAERP CC(C)(CC[NH+]1CCCCCC1)NC(=O)NCCC[NH3+] ZINC000418340679 391341240 /nfs/dbraw/zinc/34/12/40/391341240.db2.gz CLCNVUOZSJQWPA-UHFFFAOYSA-N 2 0 284.448 1.679 10 0 CDAERP Fc1ccc(N2CC[C@@H](N[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000335166665 391352963 /nfs/dbraw/zinc/35/29/63/391352963.db2.gz ABPPWPAQQBFECQ-UONOGXRCSA-N 2 0 263.360 1.746 10 0 CDAERP CCn1nncc1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000418067358 391378287 /nfs/dbraw/zinc/37/82/87/391378287.db2.gz OWJOMBMSSBYBPS-UHFFFAOYSA-N 2 0 265.405 1.654 10 0 CDAERP C[C@@H]1C[C@@H](C)CN(C(=O)CN2CC[C@]3(CC[N@H+](C)C3)C2)C1 ZINC000366531868 391431736 /nfs/dbraw/zinc/43/17/36/391431736.db2.gz AOTWZMYGCCBADF-INMHGKMJSA-N 2 0 293.455 1.519 10 0 CDAERP CC(C)[NH2+]CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000191522575 391449609 /nfs/dbraw/zinc/44/96/09/391449609.db2.gz SGAYGVQMJDPBHN-CABCVRRESA-N 2 0 253.434 1.932 10 0 CDAERP CC(C)[NH2+]CCN1CCC[N@@H+](C2CCCC2)CC1 ZINC000193447953 391461542 /nfs/dbraw/zinc/46/15/42/391461542.db2.gz KPLKFPPWIFPDHX-UHFFFAOYSA-N 2 0 253.434 1.935 10 0 CDAERP CC(C)[C@@H](C(=O)NC1CC([NH+]2CCCCC2)C1)[NH+](C)C ZINC000357895528 391530527 /nfs/dbraw/zinc/53/05/27/391530527.db2.gz HCSWONHRFJXHPP-NRXISQOPSA-N 2 0 281.444 1.706 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@H](C)[C@H](C)[NH3+])C1 ZINC000417550804 391656754 /nfs/dbraw/zinc/65/67/54/391656754.db2.gz MISUXCMSUZJKNB-XQQFMLRXSA-N 2 0 270.421 1.142 10 0 CDAERP COc1ccccc1OCC[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000532203769 391732863 /nfs/dbraw/zinc/73/28/63/391732863.db2.gz OGJYCYOIONEMOR-STQMWFEESA-N 2 0 264.369 1.614 10 0 CDAERP CC(C)[C@@H](O)C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000336786917 392060937 /nfs/dbraw/zinc/06/09/37/392060937.db2.gz JRJAPXXJUQLCET-CABCVRRESA-N 2 0 254.418 1.667 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000457705512 392202365 /nfs/dbraw/zinc/20/23/65/392202365.db2.gz HZNAKCVNFOKRIN-CQSZACIVSA-N 2 0 298.475 1.890 10 0 CDAERP CO[C@@H](CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)C(F)(F)F ZINC000423065025 392310113 /nfs/dbraw/zinc/31/01/13/392310113.db2.gz ATNXTYBOCBSUTB-AEJSXWLSSA-N 2 0 254.296 1.684 10 0 CDAERP C[C@H]1C[C@@H]([NH3+])CCN1Cc1cc(-c2cnn(C)c2)no1 ZINC000567911157 392291418 /nfs/dbraw/zinc/29/14/18/392291418.db2.gz NNHVVSQYFLHXBU-JQWIXIFHSA-N 2 0 275.356 1.387 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000423092460 392336588 /nfs/dbraw/zinc/33/65/88/392336588.db2.gz BYWCVNFWSOIWJS-GHMZBOCLSA-N 2 0 250.333 1.765 10 0 CDAERP CC(C)C1CC([NH2+]C[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000488427413 392355956 /nfs/dbraw/zinc/35/59/56/392355956.db2.gz JYQSXVOPXCXJRC-YMAMQOFZSA-N 2 0 254.418 1.857 10 0 CDAERP C[C@@H](NCc1ccc2c[nH+]cn2c1)[C@@H]1CCCC[NH2+]1 ZINC000423171299 392410956 /nfs/dbraw/zinc/41/09/56/392410956.db2.gz OAMDPEISHOQGPP-DOMZBBRYSA-N 2 0 258.369 1.955 10 0 CDAERP C(C[NH2+][C@H]1CCCC[C@@H]1[C@@H]1CCOC1)CN1CC[NH2+]CC1 ZINC000423176421 392416457 /nfs/dbraw/zinc/41/64/57/392416457.db2.gz CFFAQISLUPMBJH-ZACQAIPSSA-N 2 0 295.471 1.467 10 0 CDAERP Cc1cn2cc(NC(=O)[C@@H]3[NH2+]CC3(C)C)ccc2n1 ZINC000645879803 392451592 /nfs/dbraw/zinc/45/15/92/392451592.db2.gz UGDYVPOCXMSVSQ-LBPRGKRZSA-N 2 0 258.325 1.579 10 0 CDAERP COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]CCC[NH3+])c1 ZINC000437766194 392488907 /nfs/dbraw/zinc/48/89/07/392488907.db2.gz VCQDSEVZVLFUGV-LLVKDONJSA-N 2 0 293.367 1.129 10 0 CDAERP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccc(-n2cnnn2)cc1 ZINC000423387734 392570585 /nfs/dbraw/zinc/57/05/85/392570585.db2.gz IAXVJLAQFKRYMM-HUBLWGQQSA-N 2 0 286.383 1.311 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000517234851 392861196 /nfs/dbraw/zinc/86/11/96/392861196.db2.gz UXGVSEQSJMDRBF-NEPJUHHUSA-N 2 0 255.406 1.303 10 0 CDAERP COC(=O)c1cc(C[NH2+]Cc2ccc3c[nH+]cn3c2)cn1C ZINC000459663777 393290281 /nfs/dbraw/zinc/29/02/81/393290281.db2.gz YNLGILOEAUHKMF-UHFFFAOYSA-N 2 0 298.346 1.749 10 0 CDAERP Cc1ccc(OC[C@H](O)C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000656153458 413060021 /nfs/dbraw/zinc/06/00/21/413060021.db2.gz SHSYJTOGEAOYRP-OWCLPIDISA-N 2 0 292.423 1.665 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@](C)(O)C(F)(F)F)C1 ZINC000656153983 413063218 /nfs/dbraw/zinc/06/32/18/413063218.db2.gz QYLRHPBSNCRIPK-AEJSXWLSSA-N 2 0 254.296 1.230 10 0 CDAERP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@H]2CCCSCC2)C1 ZINC000657870421 413063685 /nfs/dbraw/zinc/06/36/85/413063685.db2.gz DKXNNPVHSBJPHC-KBPBESRZSA-N 2 0 299.484 1.449 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCSCC1 ZINC000657878815 413067128 /nfs/dbraw/zinc/06/71/28/413067128.db2.gz HUANDHJFZINFFJ-KGLIPLIRSA-N 2 0 271.474 1.498 10 0 CDAERP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)C(C)(C)C(F)F ZINC000657880767 413068150 /nfs/dbraw/zinc/06/81/50/413068150.db2.gz NLHBEFMXCIGLSO-RYUDHWBXSA-N 2 0 277.403 1.892 10 0 CDAERP COCC[NH2+]C[C@@H]1CCCN(c2cc[nH+]cc2C)C1 ZINC000070489923 134951242 /nfs/dbraw/zinc/95/12/42/134951242.db2.gz YJCZREZMMCEHIF-AWEZNQCLSA-N 2 0 263.385 1.842 10 0 CDAERP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NCC1=CC[NH2+]CC1 ZINC000186328059 140059847 /nfs/dbraw/zinc/05/98/47/140059847.db2.gz RFMRJFVOCHJYOF-UONOGXRCSA-N 2 0 265.401 1.320 10 0 CDAERP CC(=O)CC[N@@H+](C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000188299786 140091665 /nfs/dbraw/zinc/09/16/65/140091665.db2.gz AORYRLHUAPGQCG-KRWDZBQOSA-N 2 0 290.407 1.534 10 0 CDAERP [NH3+][C@H]1CCC[C@H]1C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188723890 140100676 /nfs/dbraw/zinc/10/06/76/140100676.db2.gz BMHDOXNLQVJXSH-KGLIPLIRSA-N 2 0 259.353 1.033 10 0 CDAERP O=C(c1ccnc(-n2ccnc2)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195335508 140154516 /nfs/dbraw/zinc/15/45/16/140154516.db2.gz KJPLTNZGGSWSMM-CQSZACIVSA-N 2 0 297.362 1.188 10 0 CDAERP COC(=O)[C@@H]1C[N@H+](CCC[NH+]2CCCC2)C[C@H]1C ZINC000251704086 140311306 /nfs/dbraw/zinc/31/13/06/140311306.db2.gz JALJEEDSBFIDEV-CHWSQXEVSA-N 2 0 254.374 1.213 10 0 CDAERP Cc1cccc(NC(=O)CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000252872741 140327340 /nfs/dbraw/zinc/32/73/40/140327340.db2.gz UIBYHYVHAVDMBL-CWRNSKLLSA-N 2 0 287.407 1.993 10 0 CDAERP C[C@@H](C[NH3+])C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261553960 140345908 /nfs/dbraw/zinc/34/59/08/140345908.db2.gz SYOLBMZLMLJZFZ-ZFWWWQNUSA-N 2 0 275.396 1.314 10 0 CDAERP CN(CC(C)(C)[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261557514 140347168 /nfs/dbraw/zinc/34/71/68/140347168.db2.gz XGVXBUHYEIYMEG-OAHLLOKOSA-N 2 0 261.413 1.930 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)NC[C@@H]1CC[C@@H](C[NH3+])CC1 ZINC000261644967 140368294 /nfs/dbraw/zinc/36/82/94/140368294.db2.gz BBGIOCFAEMRUPO-AAVRWANBSA-N 2 0 267.417 1.243 10 0 CDAERP Cc1nccn1C[C@@H]1CCC[N@@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000261703581 140377975 /nfs/dbraw/zinc/37/79/75/140377975.db2.gz CSIPITANKVNFPA-LSDHHAIUSA-N 2 0 262.401 1.656 10 0 CDAERP c1c(C2CC2)[nH]nc1N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000261745929 140383583 /nfs/dbraw/zinc/38/35/83/140383583.db2.gz BWGPGHGWMLKTPP-UHFFFAOYSA-N 2 0 289.427 1.409 10 0 CDAERP CCC[NH2+]CCNC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662549193 413116254 /nfs/dbraw/zinc/11/62/54/413116254.db2.gz MTCMPQFVNBZICT-CQSZACIVSA-N 2 0 261.369 1.337 10 0 CDAERP O[C@@H]1CCC[C@H]1[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000660449801 413132345 /nfs/dbraw/zinc/13/23/45/413132345.db2.gz VMDNWFJHDHNHCW-XMTFNYHQSA-N 2 0 286.419 1.964 10 0 CDAERP C[C@@H](CCCC[NH3+])NC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662564944 413133732 /nfs/dbraw/zinc/13/37/32/413133732.db2.gz BUAOQFOPKMSZPW-NSHDSACASA-N 2 0 294.399 1.389 10 0 CDAERP [NH3+]CC1(CCNC(=O)c2cccc3c2C[NH2+]C3)CC1 ZINC000662582153 413149893 /nfs/dbraw/zinc/14/98/93/413149893.db2.gz MXLAUTCTDXAUMV-UHFFFAOYSA-N 2 0 259.353 1.149 10 0 CDAERP CC[NH+](CC)CCCNC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000660284442 413153802 /nfs/dbraw/zinc/15/38/02/413153802.db2.gz VISLVQSQDZOGEP-CQSZACIVSA-N 2 0 298.475 1.890 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C[C@@H](C)O)C1CC1 ZINC000656278828 413159747 /nfs/dbraw/zinc/15/97/47/413159747.db2.gz JZVXTPOQALHWKH-GFCCVEGCSA-N 2 0 286.379 1.921 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000662594787 413167323 /nfs/dbraw/zinc/16/73/23/413167323.db2.gz WEGRQZOBTUPTRI-XJKSGUPXSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000192978227 397609422 /nfs/dbraw/zinc/60/94/22/397609422.db2.gz VSAMAAAAKWLIQO-HUUCEWRRSA-N 2 0 254.418 1.955 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654374349 413196647 /nfs/dbraw/zinc/19/66/47/413196647.db2.gz HXGZEUMXNXEDFS-KFWWJZLASA-N 2 0 296.459 1.500 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000658105762 413204512 /nfs/dbraw/zinc/20/45/12/413204512.db2.gz DGSNAQQRECTPDU-VYDXJSESSA-N 2 0 296.503 1.331 10 0 CDAERP CN(CC[NH2+]Cc1ccccc1)C(=O)CCC[NH+](C)C ZINC001664146973 1172817184 /nfs/dbraw/zinc/81/71/84/1172817184.db2.gz UABSPXKMTWISHZ-UHFFFAOYSA-N 2 0 277.412 1.576 10 0 CDAERP CN(CC[NH2+]Cc1ccsc1)C(=O)CCC[NH+](C)C ZINC001664146618 1172817248 /nfs/dbraw/zinc/81/72/48/1172817248.db2.gz OQUXTFKTAFKLMZ-UHFFFAOYSA-N 2 0 283.441 1.638 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000193316657 148621242 /nfs/dbraw/zinc/62/12/42/148621242.db2.gz KGNXRAJEXJZQNG-NEPJUHHUSA-N 2 0 257.422 1.596 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CC[NH2+]C[C@H]2C)[C@@H](C)C1 ZINC000423365053 286063550 /nfs/dbraw/zinc/06/35/50/286063550.db2.gz CTNYXJKERVPHAA-TWMKSMIVSA-N 2 0 297.487 1.711 10 0 CDAERP C[C@H](C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1)[C@@H]([NH3+])c1ccccc1 ZINC000262091793 149014112 /nfs/dbraw/zinc/01/41/12/149014112.db2.gz UNEPCLGLRMGNTK-NWANDNLSSA-N 2 0 289.423 1.908 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc2c(c1)ncn2C ZINC000334859350 150001582 /nfs/dbraw/zinc/00/15/82/150001582.db2.gz YQNSZCQBOPNXPS-YPMHNXCESA-N 2 0 258.369 1.661 10 0 CDAERP C[NH+]1CCC(CCNC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000334892893 150043673 /nfs/dbraw/zinc/04/36/73/150043673.db2.gz QLNVUMVSSSNOCX-HUUCEWRRSA-N 2 0 294.443 1.112 10 0 CDAERP CN(C(=O)[C@]1(C)CCC[NH2+]C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000334904562 150057821 /nfs/dbraw/zinc/05/78/21/150057821.db2.gz UWGRBNKOKPCVGN-UKRRQHHQSA-N 2 0 265.401 1.071 10 0 CDAERP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)N1CC[NH+]2CCC1CC2 ZINC000335039602 150215437 /nfs/dbraw/zinc/21/54/37/150215437.db2.gz ULJRLONCPYDLJN-GJZGRUSLSA-N 2 0 279.428 1.591 10 0 CDAERP CCC1(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)CCOCC1 ZINC000335883902 151080832 /nfs/dbraw/zinc/08/08/32/151080832.db2.gz PJWFSLUHICICBU-KBPBESRZSA-N 2 0 252.402 1.877 10 0 CDAERP C[C@@H](C[NH+](C)C)Nc1cncc(N[C@@H](C)C[NH+](C)C)n1 ZINC000343813674 152311540 /nfs/dbraw/zinc/31/15/40/152311540.db2.gz XBJFKWCWUVDSBN-RYUDHWBXSA-N 2 0 280.420 1.201 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654422700 413268263 /nfs/dbraw/zinc/26/82/63/413268263.db2.gz LUVBQJITKYYDFT-MCIONIFRSA-N 2 0 284.448 1.356 10 0 CDAERP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000133729514 413271646 /nfs/dbraw/zinc/27/16/46/413271646.db2.gz CIGTUKJPQLHAIV-CMPLNLGQSA-N 2 0 274.368 1.649 10 0 CDAERP C[NH2+]Cc1cn([C@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000656455877 413279872 /nfs/dbraw/zinc/27/98/72/413279872.db2.gz OASDYMREAGFFJL-HNNXBMFYSA-N 2 0 271.368 1.445 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](CC)C2)C12CCOCC2 ZINC000249047116 286388844 /nfs/dbraw/zinc/38/88/44/286388844.db2.gz WCEGPVPROJNFNU-HRCADAONSA-N 2 0 296.455 1.892 10 0 CDAERP CC[C@H](C(=O)NCC[C@H]1CC[N@@H+](C(C)C)C1)[NH+](C)C ZINC001664721635 1172898770 /nfs/dbraw/zinc/89/87/70/1172898770.db2.gz HPUGYOQPQUHJAH-UONOGXRCSA-N 2 0 269.433 1.563 10 0 CDAERP [NH3+]C1(CC(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1 ZINC000662685624 413311682 /nfs/dbraw/zinc/31/16/82/413311682.db2.gz WGUDIOLUQCIUPU-UHFFFAOYSA-N 2 0 297.468 1.346 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000312917788 289460452 /nfs/dbraw/zinc/46/04/52/289460452.db2.gz LXSNKLJCEZTRNO-VXGBXAGGSA-N 2 0 299.440 1.502 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000355736671 157210078 /nfs/dbraw/zinc/21/00/78/157210078.db2.gz UPZPHVQRENCHST-MRXNPFEDSA-N 2 0 299.378 1.273 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654487361 413349512 /nfs/dbraw/zinc/34/95/12/413349512.db2.gz HJAOYRNDCODSIT-UXOAXIEHSA-N 2 0 294.443 1.109 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662711201 413362857 /nfs/dbraw/zinc/36/28/57/413362857.db2.gz LSFKQGSQTVTDRV-MGPQQGTHSA-N 2 0 281.444 1.754 10 0 CDAERP COC(=O)[C@H](C1CC1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000359608253 158308767 /nfs/dbraw/zinc/30/87/67/158308767.db2.gz IQOPNFIHPGOTIO-AWEZNQCLSA-N 2 0 268.401 1.602 10 0 CDAERP O[C@H](C[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1)C[NH+]1CCCC1 ZINC000361897132 159012615 /nfs/dbraw/zinc/01/26/15/159012615.db2.gz PRTLKVSQFWHLGI-YYIAUSFCSA-N 2 0 296.455 1.628 10 0 CDAERP C[NH+](C)[C@H]1CCCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000377736636 160588224 /nfs/dbraw/zinc/58/82/24/160588224.db2.gz KJPUTKWUZPTMNX-XJKSGUPXSA-N 2 0 299.434 1.752 10 0 CDAERP [NH3+]CCCC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000375058462 160340738 /nfs/dbraw/zinc/34/07/38/160340738.db2.gz IOKBNAKRWFRJMS-UHFFFAOYSA-N 2 0 251.305 1.149 10 0 CDAERP C[C@@H](CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)[NH+](C)C ZINC000459034384 286860615 /nfs/dbraw/zinc/86/06/15/286860615.db2.gz CUESHMYVPKBEJC-GJZGRUSLSA-N 2 0 296.459 1.596 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)C2([NH2+]C3CC3)CCC2)C[N@@H+]1C1CC1 ZINC000662754063 413433650 /nfs/dbraw/zinc/43/36/50/413433650.db2.gz CGTMPSWAYDZRME-YPMHNXCESA-N 2 0 277.412 1.403 10 0 CDAERP CN([C@H](C[NH3+])C1CCCCC1)C1CC[NH+](C)CC1 ZINC000022174248 171369433 /nfs/dbraw/zinc/36/94/33/171369433.db2.gz GNUFBCVXFZSCEH-OAHLLOKOSA-N 2 0 253.434 1.920 10 0 CDAERP CC[NH+]1CCN(C[C@H]([NH3+])c2cccc(OC)c2)CC1 ZINC000022563575 171390973 /nfs/dbraw/zinc/39/09/73/171390973.db2.gz MPIYSJYODZVFSU-HNNXBMFYSA-N 2 0 263.385 1.333 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000653213980 412141966 /nfs/dbraw/zinc/14/19/66/412141966.db2.gz BBBWIWSRCFFIJF-SMDDNHRTSA-N 2 0 261.369 1.020 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000653214031 412142441 /nfs/dbraw/zinc/14/24/41/412142441.db2.gz DBNRARKFDKXFME-CQSZACIVSA-N 2 0 293.436 1.117 10 0 CDAERP CC(C)(C(=O)NCCC1(C[NH3+])CC1)[C@@H]([NH3+])c1ccccc1 ZINC000653222668 412148271 /nfs/dbraw/zinc/14/82/71/412148271.db2.gz KWDRHVCGYMBTFG-AWEZNQCLSA-N 2 0 289.423 1.958 10 0 CDAERP C[N@@H+]1CCC[C@H]2CN(C(=O)C3([NH2+]C4CC4)CCC3)CC[C@@H]21 ZINC000662803837 413521001 /nfs/dbraw/zinc/52/10/01/413521001.db2.gz MMZZYAXOVHSTOJ-ZFWWWQNUSA-N 2 0 291.439 1.604 10 0 CDAERP CN(C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000654659938 413549967 /nfs/dbraw/zinc/54/99/67/413549967.db2.gz NIDUDFVSIQYIFS-YUELXQCFSA-N 2 0 294.443 1.205 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)C1 ZINC000407359485 413943005 /nfs/dbraw/zinc/94/30/05/413943005.db2.gz GSCHSYCEOJIOIT-QLFBSQMISA-N 2 0 279.428 1.460 10 0 CDAERP COC[C@H](CC[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1)OC ZINC000665234533 413959177 /nfs/dbraw/zinc/95/91/77/413959177.db2.gz FIRSVXVIMITLSV-KFWWJZLASA-N 2 0 272.433 1.938 10 0 CDAERP CC(C)[NH+](CCNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1)C(C)C ZINC000407435721 413963477 /nfs/dbraw/zinc/96/34/77/413963477.db2.gz ROFMXJNZWFWLCZ-HUUCEWRRSA-N 2 0 281.444 1.752 10 0 CDAERP CO[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])[C@@H]1CCOC1 ZINC000665235273 413963643 /nfs/dbraw/zinc/96/36/43/413963643.db2.gz SXAIPHIGUHEGCU-AAVRWANBSA-N 2 0 256.390 1.145 10 0 CDAERP CC(C)C[C@H](CNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1)[NH+](C)C ZINC000407443276 413966116 /nfs/dbraw/zinc/96/61/16/413966116.db2.gz VQVIHVVKXCYKJU-ILXRZTDVSA-N 2 0 281.444 1.610 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000665240441 413971127 /nfs/dbraw/zinc/97/11/27/413971127.db2.gz LEXHPYFBGAFKQR-JJRVBVJISA-N 3 0 291.439 1.469 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000659624099 414035816 /nfs/dbraw/zinc/03/58/16/414035816.db2.gz ORIWXHDSRUWJJC-UONOGXRCSA-N 2 0 282.432 1.238 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000659625777 414040006 /nfs/dbraw/zinc/04/00/06/414040006.db2.gz ZKCXMMKBEGRLJK-CHWSQXEVSA-N 2 0 270.421 1.095 10 0 CDAERP [NH3+]CCC[N@H+](C1CCCCC1)[C@@H]1CCCCNC1=O ZINC000037299850 173104917 /nfs/dbraw/zinc/10/49/17/173104917.db2.gz FVAIPODFBAHIBZ-CQSZACIVSA-N 2 0 267.417 1.639 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)NCC[NH+]1CC=CCC1 ZINC000665357757 414104331 /nfs/dbraw/zinc/10/43/31/414104331.db2.gz VGTAPIFTLCHHNG-CQSZACIVSA-N 2 0 294.443 1.420 10 0 CDAERP CC(C)[NH+]1CCC([NH2+]C[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000655803034 414194000 /nfs/dbraw/zinc/19/40/00/414194000.db2.gz KZYACAIUNHHILG-HRCADAONSA-N 2 0 297.487 1.947 10 0 CDAERP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1cnn2c1CCC2 ZINC000657393321 414267211 /nfs/dbraw/zinc/26/72/11/414267211.db2.gz AJHUVMJAQUVWRE-SMDDNHRTSA-N 2 0 260.385 1.402 10 0 CDAERP CCC([NH3+])(CC)CNCc1nc2c(s1)C[NH2+]CC2 ZINC000663494741 414293089 /nfs/dbraw/zinc/29/30/89/414293089.db2.gz RAOPXDPZWSFYLG-UHFFFAOYSA-N 2 0 268.430 1.396 10 0 CDAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NCC12CC(C1)C[NH2+]2 ZINC000663498256 414296861 /nfs/dbraw/zinc/29/68/61/414296861.db2.gz NYQJGJFNMGFLGM-FQXVJMBOSA-N 2 0 285.435 1.849 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+]C2CCCCC2)CC1 ZINC000663506479 414309738 /nfs/dbraw/zinc/30/97/38/414309738.db2.gz RSOZSYUGEYGDDR-UHFFFAOYSA-N 2 0 281.444 1.899 10 0 CDAERP CN(C)C1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCC1 ZINC000657442768 414338576 /nfs/dbraw/zinc/33/85/76/414338576.db2.gz FIQLVFUAIGARKG-UHFFFAOYSA-N 2 0 285.395 1.841 10 0 CDAERP COC[C@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)OC ZINC000657430275 414323516 /nfs/dbraw/zinc/32/35/16/414323516.db2.gz PQAGKZHBIMPBDD-AWEZNQCLSA-N 2 0 276.340 1.018 10 0 CDAERP Cc1csc(C(C)(C)[NH2+]C[C@@H]2CCC3(C[NH2+]C3)O2)n1 ZINC000662265131 414600234 /nfs/dbraw/zinc/60/02/34/414600234.db2.gz UZIJNRCAAMJMLK-NSHDSACASA-N 2 0 281.425 1.797 10 0 CDAERP Cc1cc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)ncn1 ZINC000662282696 414612065 /nfs/dbraw/zinc/61/20/65/414612065.db2.gz JNULCTDVOOOOAQ-CYBMUJFWSA-N 2 0 260.385 1.749 10 0 CDAERP CCCN(C)CC(C)(C)[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC000662181375 414555418 /nfs/dbraw/zinc/55/54/18/414555418.db2.gz YZCIZYVGFWLKKD-ZDUSSCGKSA-N 2 0 269.433 1.613 10 0 CDAERP C[C@@H]1CC[C@H](C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)O1 ZINC000662322907 414639959 /nfs/dbraw/zinc/63/99/59/414639959.db2.gz JLOCKVSFUDCPPE-QLFBSQMISA-N 2 0 270.417 1.597 10 0 CDAERP C[NH+](C)C1(CNC(=O)C[NH2+]C2CCCC2)CCCCC1 ZINC000040420261 174257386 /nfs/dbraw/zinc/25/73/86/174257386.db2.gz XTYLHXNGIXLETM-UHFFFAOYSA-N 2 0 281.444 1.899 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC2CC[NH+](C(C)C)CC2)C1 ZINC000040502070 174298278 /nfs/dbraw/zinc/29/82/78/174298278.db2.gz AEOPLWQZMFVNKC-OAHLLOKOSA-N 2 0 253.434 1.933 10 0 CDAERP C[C@H](CC(N)=[NH2+])N1CCC([NH+]2CCCCC2)CC1 ZINC000040694107 174377890 /nfs/dbraw/zinc/37/78/90/174377890.db2.gz NUMIXFVWGVXJAK-GFCCVEGCSA-N 2 0 252.406 1.651 10 0 CDAERP CC[C@H](C)[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000040768312 174398568 /nfs/dbraw/zinc/39/85/68/174398568.db2.gz MKNGFAGLPUZOGB-ZDUSSCGKSA-N 2 0 255.406 1.367 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)[C@@H]1CCC[C@H](C)[NH2+]1 ZINC000042781217 174877188 /nfs/dbraw/zinc/87/71/88/174877188.db2.gz PAJKXYXEHPJPIJ-KBPBESRZSA-N 2 0 269.433 1.563 10 0 CDAERP COc1cccc([C@@H](CN[C@@H]2CCC[NH2+]C2)[NH+](C)C)c1 ZINC000043323852 175006631 /nfs/dbraw/zinc/00/66/31/175006631.db2.gz PGZMIDAIIRLVEV-GDBMZVCRSA-N 2 0 277.412 1.640 10 0 CDAERP CC[C@@H]([NH3+])[C@H](c1ccccn1)N1CCC([NH+](C)C)CC1 ZINC000043339428 175013886 /nfs/dbraw/zinc/01/38/86/175013886.db2.gz XVRCEASNUXICMV-GDBMZVCRSA-N 2 0 276.428 1.886 10 0 CDAERP CC(C)CN(CC[NH+](C)C)[C@H](c1ccccn1)[C@@H](C)[NH3+] ZINC000043341167 175015039 /nfs/dbraw/zinc/01/50/39/175015039.db2.gz XCKBYPVOBDHKPF-ZBFHGGJFSA-N 2 0 278.444 1.990 10 0 CDAERP C[C@H]([NH3+])[C@@H](c1ccncc1)N1CCC(C[NH+](C)C)CC1 ZINC000043354409 175021543 /nfs/dbraw/zinc/02/15/43/175021543.db2.gz QNXLBLOKQDICRH-BBRMVZONSA-N 2 0 276.428 1.744 10 0 CDAERP CCCCNC(=O)[C@@H](C)[N@H+](CCC[NH3+])CC(C)C ZINC000043417346 175038290 /nfs/dbraw/zinc/03/82/90/175038290.db2.gz VHZZLTIJEZXJGB-CYBMUJFWSA-N 2 0 257.422 1.598 10 0 CDAERP CCN(C(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)C1CC[NH2+]CC1 ZINC000043559875 175065609 /nfs/dbraw/zinc/06/56/09/175065609.db2.gz SEUOTSIHVYXDMF-HZSPNIEDSA-N 2 0 281.444 1.848 10 0 CDAERP CC[NH2+][C@H]1c2ccccc2C[C@@H]1N1CC[NH+](CC)CC1 ZINC000043806038 175108024 /nfs/dbraw/zinc/10/80/24/175108024.db2.gz YADRGKFDJRHVFJ-IRXDYDNUSA-N 2 0 273.424 1.899 10 0 CDAERP C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1cc(C)ccc1C ZINC000043810517 175109325 /nfs/dbraw/zinc/10/93/25/175109325.db2.gz UQLHACMLNCPBBZ-INIZCTEOSA-N 2 0 261.413 1.811 10 0 CDAERP C[NH2+][C@H]1CCCCC[C@@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815188 175111510 /nfs/dbraw/zinc/11/15/10/175111510.db2.gz YXIZLKIQQNGYKN-GJZGRUSLSA-N 2 0 253.434 1.933 10 0 CDAERP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N1CCC[N@H+](C)CC1 ZINC000043818318 175113230 /nfs/dbraw/zinc/11/32/30/175113230.db2.gz PMUXZZKAWLOPRF-ILXRZTDVSA-N 2 0 253.434 1.791 10 0 CDAERP C[NH2+][C@H](c1ccc(OC)cc1)[C@@H](C)N1CCC[N@H+](C)CC1 ZINC000043818173 175113361 /nfs/dbraw/zinc/11/33/61/175113361.db2.gz WVNZAQRQKZIEOS-PBHICJAKSA-N 2 0 291.439 1.982 10 0 CDAERP CCC[NH2+][C@@H]1CCC[C@@H]1N1CC[NH+](C(C)C)CC1 ZINC000043897169 175119937 /nfs/dbraw/zinc/11/99/37/175119937.db2.gz GQVIKENNCNZUBL-CABCVRRESA-N 2 0 253.434 1.933 10 0 CDAERP C[NH2+][C@@H](CN1CCC([NH+](C)C)CC1)c1cccc(OC)c1 ZINC000043897299 175120096 /nfs/dbraw/zinc/12/00/96/175120096.db2.gz PFSIQEYCTDONLP-KRWDZBQOSA-N 2 0 291.439 1.982 10 0 CDAERP C[NH2+][C@H](CN1CCC([NH+](C)C)CC1)c1cccc(OC)c1 ZINC000043897300 175120171 /nfs/dbraw/zinc/12/01/71/175120171.db2.gz PFSIQEYCTDONLP-QGZVFWFLSA-N 2 0 291.439 1.982 10 0 CDAERP CCCC(C[NH3+])(CCC)C(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC000044794300 175254075 /nfs/dbraw/zinc/25/40/75/175254075.db2.gz HAKQKDZMJDZLGP-CQSZACIVSA-N 2 0 281.444 1.742 10 0 CDAERP CCC[C@H](C[NH3+])C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC000044804547 175255934 /nfs/dbraw/zinc/25/59/34/175255934.db2.gz LFIGMNVFLOGQOO-GFCCVEGCSA-N 2 0 255.406 1.304 10 0 CDAERP CCOC(=O)[C@H](C)C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000045134765 175312516 /nfs/dbraw/zinc/31/25/16/175312516.db2.gz HRWPCUHPLOUYQM-OLZOCXBDSA-N 2 0 256.390 1.506 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](C[NH2+]CCOCC(F)(F)F)C1 ZINC000045134715 175312901 /nfs/dbraw/zinc/31/29/01/175312901.db2.gz CUMDCRACFKQJFG-NSHDSACASA-N 2 0 268.323 1.885 10 0 CDAERP C[N@H+](CCC[C@@](C)([NH2+]C1CC1)C(N)=O)C1CCCC1 ZINC000045384957 175371832 /nfs/dbraw/zinc/37/18/32/175371832.db2.gz RXQUWSNOKMBVJK-OAHLLOKOSA-N 2 0 267.417 1.637 10 0 CDAERP CCOC(=O)[C@@](C)([NH3+])CCC[N@H+](C)C1CCOCC1 ZINC000045394986 175376440 /nfs/dbraw/zinc/37/64/40/175376440.db2.gz FKMONGZZBSXKPJ-AWEZNQCLSA-N 2 0 272.389 1.158 10 0 CDAERP [NH3+][C@H]1CCC[C@H](C(=O)NCCC[NH+]2CCCC2)C1 ZINC000062073435 175662134 /nfs/dbraw/zinc/66/21/34/175662134.db2.gz USHLIFZEEZKDKK-STQMWFEESA-N 2 0 253.390 1.106 10 0 CDAERP C[C@@H]1C[C@](C[NH3+])(N2CC[C@H]([NH+]3CCCC3)C2)CCO1 ZINC000070366324 175895757 /nfs/dbraw/zinc/89/57/57/175895757.db2.gz VFVMFKJTCWLIAJ-QLFBSQMISA-N 2 0 267.417 1.053 10 0 CDAERP Nc1cc[nH+]cc1C[C@@H]([NH3+])c1ccc2nccnc2c1 ZINC000070433019 175927808 /nfs/dbraw/zinc/92/78/08/175927808.db2.gz RWDFRYZDVKBTRN-CYBMUJFWSA-N 2 0 265.320 1.850 10 0 CDAERP C[NH2+]C[C@@H]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000071142370 176040219 /nfs/dbraw/zinc/04/02/19/176040219.db2.gz GZPJTHRLYZMPKH-DLBZAZTESA-N 2 0 273.424 1.802 10 0 CDAERP C[C@@H](C[NH3+])CN1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000071147439 176043714 /nfs/dbraw/zinc/04/37/14/176043714.db2.gz FKERRHUREIIDHI-QLFBSQMISA-N 2 0 253.434 1.778 10 0 CDAERP CC[C@@H]1CCCC[C@]1(C[NH3+])N1CC[C@H]([NH+](C)C)C1 ZINC000071162206 176046198 /nfs/dbraw/zinc/04/61/98/176046198.db2.gz XEWXKDCXWCRKCD-QLFBSQMISA-N 2 0 253.434 1.920 10 0 CDAERP CC[C@@H]1CCCC[C@@]1(CN)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000071162220 176046843 /nfs/dbraw/zinc/04/68/43/176046843.db2.gz BMEKNCQVGNCJHX-IKGGRYGDSA-N 2 0 295.471 1.691 10 0 CDAERP C[C@H]([NH3+])[C@@H](c1ccccn1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071187988 176062209 /nfs/dbraw/zinc/06/22/09/176062209.db2.gz IZRYGWCLSTUZIP-GUTXKFCHSA-N 2 0 262.401 1.353 10 0 CDAERP CCC[NH2+][C@H]1CCOC[C@H]1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189049 176064796 /nfs/dbraw/zinc/06/47/96/176064796.db2.gz ZNZCPPDZNGMGQV-QLFBSQMISA-N 2 0 269.433 1.027 10 0 CDAERP C[N@H+](CCC[C@@H]1CCC[NH2+]C1)C[C@@H]1CC[NH+](C)C1 ZINC000071190963 176067346 /nfs/dbraw/zinc/06/73/46/176067346.db2.gz AHUVDSYAHDTHPZ-GJZGRUSLSA-N 3 0 253.434 1.650 10 0 CDAERP CN(C[C@H]1CC[N@H+](C)C1)C[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000071190850 176068598 /nfs/dbraw/zinc/06/85/98/176068598.db2.gz ODUMCFIJYLCATE-VGWMRTNUSA-N 2 0 265.445 1.791 10 0 CDAERP CC(C)C[NH2+]Cc1ccc(N(C)C[C@@H]2CC[N@H+](C)C2)nn1 ZINC000071191694 176072836 /nfs/dbraw/zinc/07/28/36/176072836.db2.gz AROUQSAOWVRLEU-CQSZACIVSA-N 2 0 291.443 1.610 10 0 CDAERP C[NH2+]Cc1cnc(N(C)C[C@H]2CC[N@H+](C)C2)s1 ZINC000071192501 176074570 /nfs/dbraw/zinc/07/45/70/176074570.db2.gz KAXSOLQWLXIRKT-JTQLQIEISA-N 2 0 254.403 1.250 10 0 CDAERP C[NH+](C)[C@@H]1CCN(Cc2ccc(F)cc2C[NH3+])C1 ZINC000071263694 176096757 /nfs/dbraw/zinc/09/67/57/176096757.db2.gz SOGIQHQIEITECZ-CQSZACIVSA-N 2 0 251.349 1.420 10 0 CDAERP C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(F)cc1C[NH3+] ZINC000071263446 176096769 /nfs/dbraw/zinc/09/67/69/176096769.db2.gz TYHRHUCNSIHCCH-ZYHUDNBSSA-N 2 0 279.359 1.370 10 0 CDAERP CN(c1ccccc1)[C@H](CC[NH3+])C[NH+]1CCOCC1 ZINC000076678808 177057060 /nfs/dbraw/zinc/05/70/60/177057060.db2.gz XNMIJZUNZBXGPV-OAHLLOKOSA-N 2 0 263.385 1.172 10 0 CDAERP CCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001666563820 1173152308 /nfs/dbraw/zinc/15/23/08/1173152308.db2.gz WKZFJSPDSMHKKC-QJPTWQEYSA-N 2 0 264.373 1.265 10 0 CDAERP C[C@@H]1CC[NH2+][C@H](C(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000126821257 287631849 /nfs/dbraw/zinc/63/18/49/287631849.db2.gz KCMPVJNDTXYRES-HIFRSBDPSA-N 2 0 279.428 1.461 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001666668131 1173169835 /nfs/dbraw/zinc/16/98/35/1173169835.db2.gz ZVIWXKMMOJMLJT-CHWSQXEVSA-N 2 0 273.396 1.172 10 0 CDAERP C[N@@H+](CC(=O)N1CC[NH2+]CC1)C[C@@H]1CCCCC1(C)C ZINC000662238604 423770434 /nfs/dbraw/zinc/77/04/34/423770434.db2.gz RYNOXRZRXUAPII-AWEZNQCLSA-N 2 0 281.444 1.566 10 0 CDAERP C[NH+](C)CC1(CNC(=O)NCCC2(C[NH3+])CC2)CCCC1 ZINC000652178391 423999720 /nfs/dbraw/zinc/99/97/20/423999720.db2.gz LOUXZADJIVZHCB-UHFFFAOYSA-N 2 0 296.459 1.537 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000652225088 424081708 /nfs/dbraw/zinc/08/17/08/424081708.db2.gz PPCMVIBUHCSMDL-VXGBXAGGSA-N 2 0 278.400 1.331 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000652224518 424083875 /nfs/dbraw/zinc/08/38/75/424083875.db2.gz AMQWNIGATQMDRK-UONOGXRCSA-N 2 0 284.448 1.343 10 0 CDAERP [NH3+]CC1(CCNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC000652242056 424122183 /nfs/dbraw/zinc/12/21/83/424122183.db2.gz QKCJSSGEMBQTGX-CQSZACIVSA-N 2 0 294.443 1.385 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000652223736 424098609 /nfs/dbraw/zinc/09/86/09/424098609.db2.gz MLPUMNLYFPUDSB-KBPBESRZSA-N 2 0 284.448 1.391 10 0 CDAERP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662622675 424244700 /nfs/dbraw/zinc/24/47/00/424244700.db2.gz SRSICEUZCYUNJI-YNEHKIRRSA-N 2 0 267.417 1.364 10 0 CDAERP COC[C@H]1CCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652338529 424256904 /nfs/dbraw/zinc/25/69/04/424256904.db2.gz SCFRKHGNLQMFGE-MRXNPFEDSA-N 2 0 260.381 1.943 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000653129558 424331688 /nfs/dbraw/zinc/33/16/88/424331688.db2.gz AZUSITRGYNRHIF-INIZCTEOSA-N 2 0 273.380 1.013 10 0 CDAERP CC[C@H]1CN(C(=O)c2ccccc2CC[NH3+])CC[C@@H]1[NH3+] ZINC000653135077 424347879 /nfs/dbraw/zinc/34/78/79/424347879.db2.gz RYKQRXCWSDJNKI-WFASDCNBSA-N 2 0 275.396 1.387 10 0 CDAERP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCC12CC(C1)C[NH2+]2 ZINC000665279614 424490553 /nfs/dbraw/zinc/49/05/53/424490553.db2.gz HHAXBDNBMDJDSR-LKGAJIBZSA-N 2 0 259.397 1.287 10 0 CDAERP CC(C)([NH3+])c1cc(C(=O)N[C@@H]2CC[NH2+]C23CCCC3)on1 ZINC000662822433 424507453 /nfs/dbraw/zinc/50/74/53/424507453.db2.gz AFQUXQYMTGLRPC-LLVKDONJSA-N 2 0 292.383 1.273 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000665299699 424519569 /nfs/dbraw/zinc/51/95/69/424519569.db2.gz RJHIGPRVNAGSPE-MRXNPFEDSA-N 3 0 283.460 1.452 10 0 CDAERP CC(=O)NCc1ccc(C[NH2+][C@@H](C)CCCC[NH3+])cc1 ZINC000665235447 424469180 /nfs/dbraw/zinc/46/91/80/424469180.db2.gz WCYIRUVOLGNCAX-ZDUSSCGKSA-N 2 0 277.412 1.930 10 0 CDAERP CC(C)C[C@@H]([NH3+])c1noc([C@@]2(C(F)(F)F)CC[NH2+]C2)n1 ZINC000663155886 424661712 /nfs/dbraw/zinc/66/17/12/424661712.db2.gz RJOULGHZUUSMQF-LDYMZIIASA-N 2 0 292.305 1.909 10 0 CDAERP CC[C@@H](C(=O)N1CCCC[C@H]1CC[NH2+]CCF)[NH+](C)C ZINC001667284192 1173251769 /nfs/dbraw/zinc/25/17/69/1173251769.db2.gz FTNOIWWTWIMSJX-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@H]([NH2+]CCOC)C(C)C)CC[N@@H+]1C ZINC001667458188 1173271292 /nfs/dbraw/zinc/27/12/92/1173271292.db2.gz IPGBDXDIHBZISL-SOUVJXGZSA-N 2 0 299.459 1.094 10 0 CDAERP CC(C)(C)[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000324631918 270331775 /nfs/dbraw/zinc/33/17/75/270331775.db2.gz UBMXQGSBFLWQQD-AAVRWANBSA-N 2 0 254.418 1.904 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN[C@H]1CC[NH2+]C1 ZINC000520253928 270539274 /nfs/dbraw/zinc/53/92/74/270539274.db2.gz DSEMHRJUVJVWPO-ZDUSSCGKSA-N 2 0 257.341 1.027 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H](n2cccn2)C(F)(F)F)C1 ZINC000530208632 271152024 /nfs/dbraw/zinc/15/20/24/271152024.db2.gz GILSQIKAYBCVBH-GMTAPVOTSA-N 2 0 276.306 1.846 10 0 CDAERP CC1(C)CC(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000530212050 271154312 /nfs/dbraw/zinc/15/43/12/271154312.db2.gz QFJOPSWNGUESEL-ZDUSSCGKSA-N 2 0 267.417 1.210 10 0 CDAERP CC(C)(C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])C(=O)N1CCCC1 ZINC000530220715 271161078 /nfs/dbraw/zinc/16/10/78/271161078.db2.gz CEHNWODTBDZDER-UONOGXRCSA-N 2 0 281.444 1.742 10 0 CDAERP O=c1ccc([C@H]2CCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)n[nH]1 ZINC000530235476 271175148 /nfs/dbraw/zinc/17/51/48/271175148.db2.gz YPZFDNQCDTYUSP-WCQYABFASA-N 2 0 262.357 1.319 10 0 CDAERP CC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001667634536 1173305266 /nfs/dbraw/zinc/30/52/66/1173305266.db2.gz PKQLJIKGJKHTLS-UONOGXRCSA-N 2 0 267.417 1.413 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)C1CC1 ZINC000340726063 276010372 /nfs/dbraw/zinc/01/03/72/276010372.db2.gz GFZFLSKRMQKKHJ-JSGCOSHPSA-N 2 0 267.417 1.460 10 0 CDAERP C[C@@H](CC[NH2+]Cc1ccccn1)NC(=O)CC[NH+](C)C ZINC001668197266 1173381197 /nfs/dbraw/zinc/38/11/97/1173381197.db2.gz OFPXHRDGRCTGOX-ZDUSSCGKSA-N 2 0 278.400 1.018 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH2+]C2CCC(C(N)=O)CC2)[C@@H](C)C1 ZINC000358169798 276396032 /nfs/dbraw/zinc/39/60/32/276396032.db2.gz DDSLGHHFHBJOOH-GFJIZPEISA-N 2 0 267.417 1.350 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000423016317 277259937 /nfs/dbraw/zinc/25/99/37/277259937.db2.gz SUZIYMARYCRDBE-ULQDDVLXSA-N 2 0 291.439 1.775 10 0 CDAERP C[C@@H](F)CC[NH2+]CC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001668280096 1173391293 /nfs/dbraw/zinc/39/12/93/1173391293.db2.gz ZINLKZBYOXUBSI-OLZOCXBDSA-N 2 0 285.407 1.315 10 0 CDAERP COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000451590020 277345866 /nfs/dbraw/zinc/34/58/66/277345866.db2.gz JTXTUTPCJPIQBC-MJBXVCDLSA-N 2 0 268.401 1.792 10 0 CDAERP C[C@@H](CC[NH2+]Cc1ccccc1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001668309400 1173394111 /nfs/dbraw/zinc/39/41/11/1173394111.db2.gz IYDXLVPVUPLDFZ-GOEBONIOSA-N 2 0 289.423 1.623 10 0 CDAERP C(C[NH2+][C@@H]1CCCC[C@@H]1C1CC1)CN1CC[NH2+]CC1 ZINC000414778390 277719424 /nfs/dbraw/zinc/71/94/24/277719424.db2.gz IAMBYGXFVKTUJY-HZPDHXFCSA-N 2 0 265.445 1.840 10 0 CDAERP C[C@@H]1CCN(C(=O)C[C@H]2CCC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000261852657 277738360 /nfs/dbraw/zinc/73/83/60/277738360.db2.gz QNVWEAWMNOPKEN-RDBSUJKOSA-N 2 0 267.417 1.352 10 0 CDAERP C[C@H](C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)[NH+]1CCCCCC1 ZINC000173569923 278146047 /nfs/dbraw/zinc/14/60/47/278146047.db2.gz GUNZTIFPCVMAJG-BZUAXINKSA-N 2 0 293.455 1.946 10 0 CDAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CCN(C)C(=O)C1 ZINC000424388778 278218246 /nfs/dbraw/zinc/21/82/46/278218246.db2.gz ZPPHNBHTXMZXOU-QLFBSQMISA-N 2 0 281.444 1.755 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)NCC1([NH3+])CCCCC1 ZINC000334950394 278220681 /nfs/dbraw/zinc/22/06/81/278220681.db2.gz KNXUTMDGLGCEBO-GFCCVEGCSA-N 2 0 267.417 1.542 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000261640308 278221232 /nfs/dbraw/zinc/22/12/32/278221232.db2.gz KUYPOKFKIZUOPE-MELADBBJSA-N 2 0 279.428 1.508 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000232937964 278222663 /nfs/dbraw/zinc/22/26/63/278222663.db2.gz IJUCWXFIAJLZIN-OCCSQVGLSA-N 2 0 279.428 1.365 10 0 CDAERP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000367527464 278261088 /nfs/dbraw/zinc/26/10/88/278261088.db2.gz OUZCZJUOBMLQQF-JSGCOSHPSA-N 2 0 277.416 1.013 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(C(=O)[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000233454113 279168587 /nfs/dbraw/zinc/16/85/87/279168587.db2.gz JKZCPCRHOFCILJ-UONOGXRCSA-N 2 0 281.444 1.707 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H](C)[NH+](C)C1CC1 ZINC000245461505 279298042 /nfs/dbraw/zinc/29/80/42/279298042.db2.gz FYLYTNWXCOURJC-DZGCQCFKSA-N 2 0 296.459 1.595 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000250214399 279313790 /nfs/dbraw/zinc/31/37/90/279313790.db2.gz CZWCSHJIQQDILR-YNEHKIRRSA-N 2 0 253.390 1.104 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000127816025 279350078 /nfs/dbraw/zinc/35/00/78/279350078.db2.gz PWUWEXRADDJDSE-OLZOCXBDSA-N 2 0 255.406 1.268 10 0 CDAERP C[C@@H]1C[N@H+](CCC[NH+]2CCCC2)C[C@H]1N1CCOCC1 ZINC000245638708 288161955 /nfs/dbraw/zinc/16/19/55/288161955.db2.gz RVSMXDPIDQIXGO-HZPDHXFCSA-N 2 0 281.444 1.125 10 0 CDAERP CC[C@@H](C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)[NH+](C)C ZINC000119628027 280069180 /nfs/dbraw/zinc/06/91/80/280069180.db2.gz HDXMUCONOMPKRW-CABCVRRESA-N 2 0 281.444 1.804 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000246365878 280274660 /nfs/dbraw/zinc/27/46/60/280274660.db2.gz ITVUWWTZBOFDIW-LSDHHAIUSA-N 2 0 296.459 1.310 10 0 CDAERP CC(C)[C@H]([NH3+])CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000417945929 280284952 /nfs/dbraw/zinc/28/49/52/280284952.db2.gz YGXXTZJFHOCPRH-JXQTWKCFSA-N 2 0 284.448 1.389 10 0 CDAERP CC1(CNC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)CC[NH2+]CC1 ZINC000335615306 281566805 /nfs/dbraw/zinc/56/68/05/281566805.db2.gz YEUBCYGZYLDWIQ-INIZCTEOSA-N 2 0 294.443 1.161 10 0 CDAERP C[NH+](C)C1(CNC(=O)C2(C[NH3+])CCOCC2)CCCCC1 ZINC000166041382 282028379 /nfs/dbraw/zinc/02/83/79/282028379.db2.gz XCLRIMQOPKSEQJ-UHFFFAOYSA-N 2 0 297.443 1.123 10 0 CDAERP CCN(CC[NH2+]CC(C)C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001668652603 1173435809 /nfs/dbraw/zinc/43/58/09/1173435809.db2.gz RMRMLHQAKZWVHB-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP C[NH+](C)C1(CN[C@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CCC1 ZINC000353672401 289062206 /nfs/dbraw/zinc/06/22/06/289062206.db2.gz QRLKURLNVFQWJI-SOUVJXGZSA-N 2 0 265.445 1.933 10 0 CDAERP C[NH+](C)C1CCC([NH2+][C@@H](C2CC2)[C@H]2CNCCO2)CC1 ZINC000423549234 289065696 /nfs/dbraw/zinc/06/56/96/289065696.db2.gz NDKQGORDQDTHRW-FJBKBRRZSA-N 2 0 281.444 1.216 10 0 CDAERP C[C@@]1(CN2CC[C@H]([NH+]3CCCCC3)C2)CC[NH2+]C1 ZINC000110371267 289164865 /nfs/dbraw/zinc/16/48/65/289164865.db2.gz XUENKSVZLFTVGZ-LSDHHAIUSA-N 2 0 251.418 1.546 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000176579575 289299626 /nfs/dbraw/zinc/29/96/26/289299626.db2.gz SPQDPYYBDGFQES-RBSFLKMASA-N 2 0 294.443 1.349 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N(C)CC2([NH+](C)C)CCC2)C1 ZINC000553222641 290104628 /nfs/dbraw/zinc/10/46/28/290104628.db2.gz CVOHEUZFZSOHDW-ZDUSSCGKSA-N 2 0 267.417 1.271 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCO[C@@H]2CCOC2)[C@@H]2CCC[C@H]21 ZINC000353404036 290217901 /nfs/dbraw/zinc/21/79/01/290217901.db2.gz LTJZUSPHSSZXMJ-FXUDXRNXSA-N 2 0 282.428 1.644 10 0 CDAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)COc1ccsc1 ZINC000558627623 290408786 /nfs/dbraw/zinc/40/87/86/290408786.db2.gz HEIHDYOGFMIPGU-UHFFFAOYSA-N 2 0 299.440 1.079 10 0 CDAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+]1CCC[C@@H](C)C1 ZINC000561145824 293054812 /nfs/dbraw/zinc/05/48/12/293054812.db2.gz JZNSGOPTRWBMKV-KFWWJZLASA-N 2 0 281.444 1.565 10 0 CDAERP CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423069793 293473778 /nfs/dbraw/zinc/47/37/78/293473778.db2.gz MEKUBSVHZRTEGZ-NHCYSSNCSA-N 2 0 251.374 1.923 10 0 CDAERP COc1cc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc2c1OCCO2 ZINC000565480680 293620461 /nfs/dbraw/zinc/62/04/61/293620461.db2.gz HMDZKUMGUNFFAJ-QWRGUYRKSA-N 2 0 280.368 1.682 10 0 CDAERP O=C(CC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)Nc1cccnc1 ZINC000569220901 294176213 /nfs/dbraw/zinc/17/62/13/294176213.db2.gz ALYXYWZXZYXVOP-INIZCTEOSA-N 2 0 288.395 1.486 10 0 CDAERP CC(C)C[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001668834175 1173471586 /nfs/dbraw/zinc/47/15/86/1173471586.db2.gz SLONMZOFKLJKTN-QAMKJQMISA-N 2 0 267.417 1.245 10 0 CDAERP C[C@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+]1CCCCC1 ZINC000570581187 294267058 /nfs/dbraw/zinc/26/70/58/294267058.db2.gz DCOSTCFJLIJFLO-HUUCEWRRSA-N 2 0 281.444 1.709 10 0 CDAERP CC[NH+]1CCC(C[NH2+]Cc2cn3cccnc3n2)CC1 ZINC000574498418 295008271 /nfs/dbraw/zinc/00/82/71/295008271.db2.gz XTVYEZALXJBUCO-UHFFFAOYSA-N 2 0 273.384 1.551 10 0 CDAERP O=C(NC1CC([NH+]2CCCCC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000335032434 295603761 /nfs/dbraw/zinc/60/37/61/295603761.db2.gz YDFCWBVRUYPRCG-RUXDESIVSA-N 2 0 265.401 1.262 10 0 CDAERP C[C@H]1[NH2+]CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)[C@@H]1C ZINC000334926039 300576474 /nfs/dbraw/zinc/57/64/74/300576474.db2.gz WFOFTCFRUKPZFO-LMRVLLHPSA-N 2 0 296.459 1.499 10 0 CDAERP C[C@@H](C[NH2+]C/C=C/Cl)NC(=O)CCC[NH+]1CCCC1 ZINC001669751295 1173593417 /nfs/dbraw/zinc/59/34/17/1173593417.db2.gz ZVSFSRKSXUYUGY-IYNGYCSASA-N 2 0 287.835 1.709 10 0 CDAERP CC[C@H](F)C[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001670100123 1173654896 /nfs/dbraw/zinc/65/48/96/1173654896.db2.gz RCZKGWHPAKHSOF-HZSPNIEDSA-N 2 0 287.423 1.513 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH2+]CCF ZINC001670271559 1173667914 /nfs/dbraw/zinc/66/79/14/1173667914.db2.gz OFWHHZCZOQCZGP-AWEZNQCLSA-N 2 0 287.423 1.657 10 0 CDAERP CCn1ccnc1CNC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000563850745 316382363 /nfs/dbraw/zinc/38/23/63/316382363.db2.gz AZVFNAQJDVAFJB-GFCCVEGCSA-N 2 0 279.388 1.139 10 0 CDAERP CC[NH+]1CCC(CNC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000575235514 316981106 /nfs/dbraw/zinc/98/11/06/316981106.db2.gz OSKRPVDCLMFHHD-JSGCOSHPSA-N 2 0 282.432 1.016 10 0 CDAERP O[C@H](C[NH2+]Cc1cnc2n1CCCC2)C(F)(F)F ZINC000577502778 317342822 /nfs/dbraw/zinc/34/28/22/317342822.db2.gz HHGKBUJBQAWENT-SECBINFHSA-N 2 0 263.263 1.232 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@H]2CCCS(=O)(=O)C2)CC1 ZINC000182830358 323303738 /nfs/dbraw/zinc/30/37/38/323303738.db2.gz SPSVNDXCVHKWRL-AWEZNQCLSA-N 2 0 288.457 1.275 10 0 CDAERP C[NH2+]CCCN(C)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000583380440 325164170 /nfs/dbraw/zinc/16/41/70/325164170.db2.gz JDVMOPMCIWVDCE-ZDUSSCGKSA-N 2 0 255.406 1.319 10 0 CDAERP NC(=O)C1([NH2+]Cc2ccc3c(c2)C[NH2+]CC3)CCCCC1 ZINC000583698168 325225029 /nfs/dbraw/zinc/22/50/29/325225029.db2.gz OVQWELGVCADLMZ-UHFFFAOYSA-N 2 0 287.407 1.610 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000583936158 325270916 /nfs/dbraw/zinc/27/09/16/325270916.db2.gz SFMLXZMRKOCMCI-PMPSAXMXSA-N 2 0 287.407 1.459 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000250253703 1159236966 /nfs/dbraw/zinc/23/69/66/1159236966.db2.gz IUEAHCAYEAKUAX-QXSJWSMHSA-N 2 0 293.455 1.755 10 0 CDAERP C[C@H](C[NH2+]CCC1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001715322307 1159761171 /nfs/dbraw/zinc/76/11/71/1159761171.db2.gz DUMUUZLGCXYPTH-OCCSQVGLSA-N 2 0 267.417 1.317 10 0 CDAERP CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001700852335 1177164633 /nfs/dbraw/zinc/16/46/33/1177164633.db2.gz VNOHQQIUZYCAQO-QWHCGFSZSA-N 2 0 255.406 1.317 10 0 CDAERP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@H]2CCSC2)CCO1 ZINC000668784661 482312946 /nfs/dbraw/zinc/31/29/46/482312946.db2.gz HGBSQIWAVIDZFM-ZIAGYGMSSA-N 2 0 272.458 1.782 10 0 CDAERP C[C@@H](CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCC[NH2+]C1 ZINC000246882602 482236018 /nfs/dbraw/zinc/23/60/18/482236018.db2.gz IFYNGSUGQOCDAR-JZAZDWQXSA-N 2 0 279.428 1.411 10 0 CDAERP [NH3+]CC1(CC(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659364277 482652597 /nfs/dbraw/zinc/65/25/97/482652597.db2.gz LIRBEUTXWONSBA-AWEZNQCLSA-N 2 0 289.379 1.415 10 0 CDAERP C[C@H](CCNC(=O)NC/C=C\C[NH3+])[NH+]1CCCCC1 ZINC000669558383 482681390 /nfs/dbraw/zinc/68/13/90/482681390.db2.gz ZVZGYRXUPAHWJH-DHCBQETCSA-N 2 0 268.405 1.065 10 0 CDAERP CCn1nccc1CC[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000670074250 482689839 /nfs/dbraw/zinc/68/98/39/482689839.db2.gz MMZCNZTUJYABBT-HNNXBMFYSA-N 2 0 273.384 1.979 10 0 CDAERP CO[C@@H]1CCC[C@@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000685042638 482700792 /nfs/dbraw/zinc/70/07/92/482700792.db2.gz IQQZMCCSCNDUQS-HUUCEWRRSA-N 2 0 283.460 1.560 10 0 CDAERP C[NH+]1CCC(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000673656027 482802761 /nfs/dbraw/zinc/80/27/61/482802761.db2.gz OQHZLQGPHQMJHV-UHFFFAOYSA-N 2 0 285.351 1.548 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C[NH3+])C2CCCCC2)C1 ZINC000669403004 482886957 /nfs/dbraw/zinc/88/69/57/482886957.db2.gz DSAZZWHTBKBERE-KBPBESRZSA-N 2 0 282.432 1.287 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000669403029 482887068 /nfs/dbraw/zinc/88/70/68/482887068.db2.gz FQLJSPYFAQUJCX-CQSZACIVSA-N 2 0 294.443 1.256 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)NCC[NH2+]C2CCCCCC2)C1 ZINC000669403083 482887189 /nfs/dbraw/zinc/88/71/89/482887189.db2.gz INVVAFHBAXQHMZ-HNNXBMFYSA-N 2 0 296.459 1.692 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000136411427 482917448 /nfs/dbraw/zinc/91/74/48/482917448.db2.gz HZUHAOGBNRYSCW-UONOGXRCSA-N 2 0 269.433 1.598 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000088277899 482929617 /nfs/dbraw/zinc/92/96/17/482929617.db2.gz SJXYRFOJLMYAMN-STQMWFEESA-N 2 0 255.406 1.208 10 0 CDAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000674054492 482934252 /nfs/dbraw/zinc/93/42/52/482934252.db2.gz RPVCCPOLPJWBHJ-UONOGXRCSA-N 2 0 282.432 1.064 10 0 CDAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N[C@H]1CCC[NH2+]C1 ZINC000667148677 483110340 /nfs/dbraw/zinc/11/03/40/483110340.db2.gz MOZIQOPSWHNWNS-NSHDSACASA-N 2 0 286.339 1.141 10 0 CDAERP Cc1cc(C)n2c(C[NH2+][C@@H]3CCC[C@@H]([NH3+])C3)cnc2n1 ZINC000414907099 483293908 /nfs/dbraw/zinc/29/39/08/483293908.db2.gz AJUVHBDAGIMINA-CHWSQXEVSA-N 2 0 273.384 1.706 10 0 CDAERP c1ccc2c(c1)CC[C@H](C[NH+]1C[C@H]3C[NH2+]C[C@@H]3C1)C2 ZINC000679815965 483440387 /nfs/dbraw/zinc/44/03/87/483440387.db2.gz PCIMXAQWTLJVAP-IAOVAPTHSA-N 2 0 256.393 1.943 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC1(CO)CCC1 ZINC000680147690 483544584 /nfs/dbraw/zinc/54/45/84/483544584.db2.gz NAAGBNQZIZNPPY-UHFFFAOYSA-N 2 0 286.379 1.828 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322925610 483553426 /nfs/dbraw/zinc/55/34/26/483553426.db2.gz NDMXVIOJWRYTFO-PSEXLTFBSA-N 2 0 253.390 1.101 10 0 CDAERP CC(C)[NH2+]C[C@H]1CC[C@H](COCC[NH+]2CCCC2)O1 ZINC000052670467 519725785 /nfs/dbraw/zinc/72/57/85/519725785.db2.gz VYJQBPCGUWZSCH-HUUCEWRRSA-N 2 0 270.417 1.644 10 0 CDAERP CC(C)C[NH+]1CCN(C[C@@H](C)C[NH2+]C(C)C)CC1 ZINC000055083039 519726078 /nfs/dbraw/zinc/72/60/78/519726078.db2.gz APOWWMYSKVUSAX-HNNXBMFYSA-N 2 0 255.450 1.894 10 0 CDAERP CC(C)[NH2+][C@@](C)(C[C@H](C)N1CCOC(C)(C)C1)C(N)=O ZINC000068626514 519736741 /nfs/dbraw/zinc/73/67/41/519736741.db2.gz CHWWRGRUJIYYRX-WFASDCNBSA-N 2 0 285.432 1.118 10 0 CDAERP CCC[NH2+][C@H](C)[C@H]1CCC[N@H+](CCCC(=O)NC)C1 ZINC000068815694 520063876 /nfs/dbraw/zinc/06/38/76/520063876.db2.gz YOESECQQKDRFQC-KGLIPLIRSA-N 2 0 269.433 1.613 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C[C@H](O)C[NH+](C)C(C)C)[C@@H](C)C1 ZINC001649885956 1161209553 /nfs/dbraw/zinc/20/95/53/1161209553.db2.gz DLZLXJPUGOIPJQ-XHSDSOJGSA-N 2 0 285.476 1.350 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001713167528 1178409332 /nfs/dbraw/zinc/40/93/32/1178409332.db2.gz BLRQOQSTSKFPTI-JOCQHMNTSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@H](NC(=O)CC[NH+](C)C)C1CC[NH+](CCF)CC1 ZINC001486448326 1161455245 /nfs/dbraw/zinc/45/52/45/1161455245.db2.gz JBQUOFZPQAHYIL-LBPRGKRZSA-N 2 0 273.396 1.124 10 0 CDAERP CCCN(CC[NH+](C)C)c1nc(C)c(C[NH3+])s1 ZINC000055000568 521658380 /nfs/dbraw/zinc/65/83/80/521658380.db2.gz DUIKXCPQDRORMY-UHFFFAOYSA-N 2 0 256.419 1.688 10 0 CDAERP CC(C)=CC[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001715520687 1179698558 /nfs/dbraw/zinc/69/85/58/1179698558.db2.gz NGOWFOZWVYPDFG-HUUCEWRRSA-N 2 0 281.444 1.683 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+]1CCCC[C@H]1C ZINC000245893007 535496958 /nfs/dbraw/zinc/49/69/58/535496958.db2.gz GMJDFKMNZUXBLI-CABCVRRESA-N 2 0 281.444 1.851 10 0 CDAERP C[NH2+]CC1(CN2CCC[C@H]2C[NH+](C)C)CCOCC1 ZINC000061653722 521969073 /nfs/dbraw/zinc/96/90/73/521969073.db2.gz QTLCXHRQTYBUQZ-AWEZNQCLSA-N 2 0 269.433 1.029 10 0 CDAERP C[NH2+]C[C@@H]1CC[C@H](C[NH+]2CCC(C[NH+](C)C)CC2)O1 ZINC000052515427 522058110 /nfs/dbraw/zinc/05/81/10/522058110.db2.gz ZEADAIHSPPCBAX-LSDHHAIUSA-N 3 0 269.433 1.027 10 0 CDAERP CC[C@@H](C)[NH+]1CCN([C@@H](C[NH3+])C2CCCC2)CC1 ZINC000055064363 522130132 /nfs/dbraw/zinc/13/01/32/522130132.db2.gz RAZZOIKKOQMELN-HIFRSBDPSA-N 2 0 253.434 1.920 10 0 CDAERP C[NH2+]Cc1ccoc1C[N@H+](CCOC)[C@@H](C)COC ZINC000052572312 522139523 /nfs/dbraw/zinc/13/95/23/522139523.db2.gz XTHHLIGREVHUBA-LBPRGKRZSA-N 2 0 270.373 1.482 10 0 CDAERP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC2CCC(O)CC2)C1 ZINC001771779372 1161957092 /nfs/dbraw/zinc/95/70/92/1161957092.db2.gz FBFAMAUEFHVPJW-JCYILVPMSA-N 2 0 298.471 1.970 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@H](CC[NH2+]CC(C)C)C1 ZINC001733675289 1183494011 /nfs/dbraw/zinc/49/40/11/1183494011.db2.gz ZEGJKORAIJFHDF-HNNXBMFYSA-N 2 0 283.460 1.812 10 0 CDAERP C(C[NH2+][C@@H]1CCN(C2CC2)C1)C[C@H]1CCCC[NH2+]1 ZINC000050954004 518390771 /nfs/dbraw/zinc/39/07/71/518390771.db2.gz RYVWXKBRXBBPEG-ZIAGYGMSSA-N 2 0 251.418 1.735 10 0 CDAERP C([C@@H]1CCC[NH2+]1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000062031668 518403064 /nfs/dbraw/zinc/40/30/64/518403064.db2.gz ZRIJDNKIMWUIPC-HNNXBMFYSA-N 2 0 251.418 1.546 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)C[C@@H]1CCCC[NH2+]1 ZINC000049560238 519335420 /nfs/dbraw/zinc/33/54/20/519335420.db2.gz LSWJDPPVGHJBGB-UONOGXRCSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)C[NH+]1CCN(C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000055079102 519726713 /nfs/dbraw/zinc/72/67/13/519726713.db2.gz MWFWKDFHLPOSBI-MRXNPFEDSA-N 2 0 261.413 1.960 10 0 CDAERP CC(C)C[NH+]1CCN(Cc2cc(C[NH3+])co2)CC1 ZINC000055082894 519726855 /nfs/dbraw/zinc/72/68/55/519726855.db2.gz LKRNCYDNLIQXRC-UHFFFAOYSA-N 2 0 251.374 1.512 10 0 CDAERP CC(C)C[NH2+]CC1(C[N@@H+]2CCC[C@@H](O)C2)CCOCC1 ZINC000052197505 519742920 /nfs/dbraw/zinc/74/29/20/519742920.db2.gz QQRMISBGSRAFHY-OAHLLOKOSA-N 2 0 284.444 1.486 10 0 CDAERP CC(C)C[NH2+]C[C@H](C)CN1CC[NH+](C(C)C)CC1 ZINC000052480012 519745649 /nfs/dbraw/zinc/74/56/49/519745649.db2.gz JHMNZZULGGMSSL-HNNXBMFYSA-N 2 0 255.450 1.894 10 0 CDAERP CC(C)[C@@H]1CC[C@@H]([NH3+])[C@H](N2CCC[N@H+](C)CC2)C1 ZINC000054554787 519803377 /nfs/dbraw/zinc/80/33/77/519803377.db2.gz HSFTXXBGJDTRIK-RBSFLKMASA-N 2 0 253.434 1.776 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000049220584 519814233 /nfs/dbraw/zinc/81/42/33/519814233.db2.gz YSJKNGGFYREOCH-CABCVRRESA-N 2 0 277.412 1.259 10 0 CDAERP CCC[NH+]1CCC([N@H+](C)CCC(=O)NC(C)C)CC1 ZINC000111240847 519844148 /nfs/dbraw/zinc/84/41/48/519844148.db2.gz BNHSDTSKCRKYCO-UHFFFAOYSA-N 2 0 269.433 1.707 10 0 CDAERP CCC[NH+]1CCC(NC(=O)CC[C@@H]2CCCC[NH2+]2)CC1 ZINC000050950157 519845050 /nfs/dbraw/zinc/84/50/50/519845050.db2.gz BYNOZSLGUSJVIS-AWEZNQCLSA-N 2 0 281.444 1.899 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@@H]2CC[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000055141554 519845930 /nfs/dbraw/zinc/84/59/30/519845930.db2.gz KYEPDZNDQYRRFX-GZBFAFLISA-N 2 0 281.444 1.741 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)Nc1c[nH+]ccc1N(C)C ZINC000061290669 519908208 /nfs/dbraw/zinc/90/82/08/519908208.db2.gz GCSDYOUMQANADE-UHFFFAOYSA-N 2 0 250.346 1.474 10 0 CDAERP CC[NH2+]CC1(CN2CC[NH+]([C@H](C)CC)CC2)CCOCC1 ZINC000055072778 519914123 /nfs/dbraw/zinc/91/41/23/519914123.db2.gz SYKQBTSQMYPXMM-MRXNPFEDSA-N 2 0 297.487 1.809 10 0 CDAERP CC[NH2+]CCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000052418505 519919017 /nfs/dbraw/zinc/91/90/17/519919017.db2.gz WAMVMIOHTWCIOO-UHFFFAOYSA-N 2 0 277.416 1.378 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@@H](COCC[NH+]2CCCCC2)O1 ZINC000052671025 519979959 /nfs/dbraw/zinc/97/99/59/519979959.db2.gz MNSAHMLRLXTWPX-CABCVRRESA-N 2 0 270.417 1.646 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)NCc1ccccc1C[NH+](C)C ZINC000061273910 520065515 /nfs/dbraw/zinc/06/55/15/520065515.db2.gz LZPWWRKHIULILI-ZDUSSCGKSA-N 2 0 277.412 1.753 10 0 CDAERP CCOC[C@H](O)C[NH+]1CCC(C[NH2+]C(C)(C)C)CC1 ZINC000069280303 520155245 /nfs/dbraw/zinc/15/52/45/520155245.db2.gz FEXIUDGVMNBHOF-CQSZACIVSA-N 2 0 272.433 1.484 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000061273482 520166216 /nfs/dbraw/zinc/16/62/16/520166216.db2.gz ZLQPRBHJNAQYAX-CHWSQXEVSA-N 2 0 255.406 1.221 10 0 CDAERP CCCC[NH+](CCCC)CCn1cc(C[NH2+]C)nn1 ZINC000052443581 520496402 /nfs/dbraw/zinc/49/64/02/520496402.db2.gz HNIDPUVNEIPHFL-UHFFFAOYSA-N 2 0 267.421 1.900 10 0 CDAERP CCCC[N@H+](CCn1cc(C[NH3+])nn1)[C@@H](C)CC ZINC000052372725 520542246 /nfs/dbraw/zinc/54/22/46/520542246.db2.gz XBKOUEACVYBMBR-LBPRGKRZSA-N 2 0 253.394 1.637 10 0 CDAERP CC[NH+](CC)CCC[C@H](C)NC(=O)C(C)(C)[NH2+]C ZINC000061300147 520633269 /nfs/dbraw/zinc/63/32/69/520633269.db2.gz GNHANKFFAISDPU-LBPRGKRZSA-N 2 0 257.422 1.611 10 0 CDAERP CC[NH+](CC)CCN1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000157969254 520662541 /nfs/dbraw/zinc/66/25/41/520662541.db2.gz RSWNZYXAGQTOGY-OAHLLOKOSA-N 2 0 283.460 1.513 10 0 CDAERP CCOc1cc(C[NH2+]CCOC)ccc1OCC[NH+](C)C ZINC000062731211 520715675 /nfs/dbraw/zinc/71/56/75/520715675.db2.gz DZCXCHFKSUTHKE-UHFFFAOYSA-N 2 0 296.411 1.762 10 0 CDAERP CCC[C@@]1(C(=O)NC2CC[NH+](CC)CC2)CCC[NH2+]C1 ZINC000062858129 520942805 /nfs/dbraw/zinc/94/28/05/520942805.db2.gz VFDWSKLOOIAZTK-MRXNPFEDSA-N 2 0 281.444 1.757 10 0 CDAERP CCC(C)(C)[NH2+]C[C@@H](C)N1CCN(CC[NH+](C)C)CC1 ZINC000061655317 521353044 /nfs/dbraw/zinc/35/30/44/521353044.db2.gz ZGCYSGQGSFYXHU-OAHLLOKOSA-N 2 0 284.492 1.332 10 0 CDAERP CC[N@@H+](Cc1ccnc(C(N)=[NH2+])c1)C[C@@H]1CCCO1 ZINC000068761398 521412772 /nfs/dbraw/zinc/41/27/72/521412772.db2.gz ICTFLOMHCYQWTB-LBPRGKRZSA-N 2 0 262.357 1.367 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)c1cccc(CC[NH3+])c1 ZINC000061642270 521833801 /nfs/dbraw/zinc/83/38/01/521833801.db2.gz HZQBPGCMNRYALN-HNNXBMFYSA-N 2 0 275.396 1.354 10 0 CDAERP C[NH2+]CC1(CN2CC[C@@H]([NH+](C)C)C2)CCCCC1 ZINC000062969896 521969503 /nfs/dbraw/zinc/96/95/03/521969503.db2.gz FKZAAWPCSKVOCU-CQSZACIVSA-N 2 0 253.434 1.792 10 0 CDAERP C[NH2+]C[C@H]1CC[C@@H](C[N@H+](CCN(C)C)CC(C)C)O1 ZINC000052503386 522092838 /nfs/dbraw/zinc/09/28/38/522092838.db2.gz UBWYAKUJUYMWFL-CABCVRRESA-N 2 0 271.449 1.273 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000055077740 522111953 /nfs/dbraw/zinc/11/19/53/522111953.db2.gz SYKIAAJXGDAXQZ-CHWSQXEVSA-N 2 0 253.390 1.071 10 0 CDAERP C[NH2+][C@@H](C)c1ccccc1N1CCN(CC[NH+](C)C)CC1 ZINC000061644888 522337210 /nfs/dbraw/zinc/33/72/10/522337210.db2.gz WXMFCFCOYBONQS-HNNXBMFYSA-N 2 0 290.455 1.651 10 0 CDAERP COC[C@H](C)NC(=O)C[N@H+](CCC[NH3+])C1CCCCC1 ZINC000049290513 522601420 /nfs/dbraw/zinc/60/14/20/522601420.db2.gz KJGQTHKKGUTXGY-ZDUSSCGKSA-N 2 0 285.432 1.121 10 0 CDAERP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCCC[NH+](C)C)[C@H]1C ZINC000354206463 523289184 /nfs/dbraw/zinc/28/91/84/523289184.db2.gz CIGSUCLVSVGSTN-MELADBBJSA-N 2 0 270.417 1.896 10 0 CDAERP CC[C@H](C)C[C@@](CC)(C[NH3+])N1CCN(CC[NH+](C)C)CC1 ZINC000061643203 523898419 /nfs/dbraw/zinc/89/84/19/523898419.db2.gz HAIIGPMBMILQHB-IRXDYDNUSA-N 2 0 298.519 1.709 10 0 CDAERP CC[C@H](C)[N@H+](CCOC)Cc1cccnc1C[NH3+] ZINC000061656814 523939328 /nfs/dbraw/zinc/93/93/28/523939328.db2.gz YBYZSNSFJYQIBU-LBPRGKRZSA-N 2 0 251.374 1.787 10 0 CDAERP CC[C@H](C)[NH+]1CCN(Cc2cccc(C(N)=[NH2+])c2)CC1 ZINC000055067257 523956372 /nfs/dbraw/zinc/95/63/72/523956372.db2.gz XTIKPFYTQAWGQD-ZDUSSCGKSA-N 2 0 274.412 1.887 10 0 CDAERP C[NH+](C)CC(C)(C)CNC(=O)C[C@H]1CCC[C@H]([NH3+])C1 ZINC000055125313 524045286 /nfs/dbraw/zinc/04/52/86/524045286.db2.gz PTPSUIMROMWDMZ-STQMWFEESA-N 2 0 269.433 1.598 10 0 CDAERP C[NH+](C)CCCC1CCN(C(=O)C2CC[NH2+]CC2)CC1 ZINC000237098345 524051719 /nfs/dbraw/zinc/05/17/19/524051719.db2.gz IVHQBTKBBPHTGX-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP C[NH+](C)CCCOc1cc(C(N)=[NH2+])c2ccccc2n1 ZINC000068798299 524058362 /nfs/dbraw/zinc/05/83/62/524058362.db2.gz DDNWOSXHACTGRM-UHFFFAOYSA-N 2 0 272.352 1.849 10 0 CDAERP C[C@H]1CCC[N@H+](CCn2cc(C[NH2+]C(C)(C)C)nn2)C1 ZINC000052381423 524093058 /nfs/dbraw/zinc/09/30/58/524093058.db2.gz CYOOSAGQMITCQJ-ZDUSSCGKSA-N 2 0 279.432 1.898 10 0 CDAERP Cc1ccc(CN(CC[NH+](C)C)C(=O)C2CC[NH2+]CC2)o1 ZINC000037825224 524406242 /nfs/dbraw/zinc/40/62/42/524406242.db2.gz PUMGMUOQKAFASU-UHFFFAOYSA-N 2 0 293.411 1.478 10 0 CDAERP Cc1ccc(C[NH+]2CCN(CC[NH+](C)C)CC2)cc1N ZINC000061652495 524459581 /nfs/dbraw/zinc/45/95/81/524459581.db2.gz WTWVPVNZACOCBA-UHFFFAOYSA-N 2 0 276.428 1.256 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000156668578 525001380 /nfs/dbraw/zinc/00/13/80/525001380.db2.gz HWXROISDJRHNFP-CHWSQXEVSA-N 2 0 267.417 1.304 10 0 CDAERP C[C@]([NH3+])(C(=O)N[C@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC000052881185 525147238 /nfs/dbraw/zinc/14/72/38/525147238.db2.gz ILKNOZIYLWLFNG-GOEBONIOSA-N 2 0 273.380 1.071 10 0 CDAERP Cc1ccccc1[C@@H](C[NH3+])N1CCN(CC[NH+](C)C)CC1 ZINC000061642440 525367229 /nfs/dbraw/zinc/36/72/29/525367229.db2.gz JUPVLFOEQKOPCB-QGZVFWFLSA-N 2 0 290.455 1.174 10 0 CDAERP Cc1ccc([C@H]([NH3+])CN2CCN(CC[NH+](C)C)CC2)cc1 ZINC000061643896 525960506 /nfs/dbraw/zinc/96/05/06/525960506.db2.gz XYBMATBAACSYPM-QGZVFWFLSA-N 2 0 290.455 1.174 10 0 CDAERP C[C@@H]([C@@H](O)c1ccccc1)[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061652721 526019336 /nfs/dbraw/zinc/01/93/36/526019336.db2.gz GQEBVLOEXHDYHO-DOTOQJQBSA-N 2 0 291.439 1.288 10 0 CDAERP C[C@H](CC(=O)N[C@H]1C[NH2+]CC[C@@H]1C)C1CC[NH2+]CC1 ZINC000186718929 526247048 /nfs/dbraw/zinc/24/70/48/526247048.db2.gz RIJPYLPXLQGJKA-SCRDCRAPSA-N 2 0 267.417 1.126 10 0 CDAERP O=C(CC[C@@H]1CCCC[NH2+]1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000050951799 526548369 /nfs/dbraw/zinc/54/83/69/526548369.db2.gz XYHCCLJUEYMMNI-QWHCGFSZSA-N 2 0 265.401 1.262 10 0 CDAERP Cc1nc(N2CCN(CC[NH+](C)C)CC2)sc1[C@@H](C)[NH3+] ZINC000061655499 526969300 /nfs/dbraw/zinc/96/93/00/526969300.db2.gz DCLASGAADOCAMS-LLVKDONJSA-N 2 0 297.472 1.155 10 0 CDAERP [NH3+]C[C@H]1CCC[C@@H](C(=O)NCC[NH+]2CCCCCC2)C1 ZINC000055161887 527235118 /nfs/dbraw/zinc/23/51/18/527235118.db2.gz WXHFUOMNFVXMOA-LSDHHAIUSA-N 2 0 281.444 1.744 10 0 CDAERP Cc1nccn1CC[N@@H+](C)Cc1cccc(C[NH3+])c1 ZINC000049329593 527423851 /nfs/dbraw/zinc/42/38/51/527423851.db2.gz FBKMUEJVSGKUSZ-UHFFFAOYSA-N 2 0 258.369 1.782 10 0 CDAERP CCCC[N@H+](C)CC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC000178191863 528338154 /nfs/dbraw/zinc/33/81/54/528338154.db2.gz JQRYARCUOTUQQU-AWEZNQCLSA-N 2 0 267.417 1.319 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000418549740 535256436 /nfs/dbraw/zinc/25/64/36/535256436.db2.gz AASUUKJGZRBLPX-SOUVJXGZSA-N 2 0 296.459 1.358 10 0 CDAERP CCN1CCCC[C@@H]1C[NH2+][C@H](CCC[NH3+])COC ZINC000422906097 535492742 /nfs/dbraw/zinc/49/27/42/535492742.db2.gz JCBYSJFJQPETRR-ZIAGYGMSSA-N 2 0 257.422 1.204 10 0 CDAERP CC[NH+](CC)CCOC1CCN(C(=O)C[C@H](C)[NH3+])CC1 ZINC000261739842 535544105 /nfs/dbraw/zinc/54/41/05/535544105.db2.gz GLSKHUJHAQSJBI-ZDUSSCGKSA-N 2 0 285.432 1.073 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[C@H]1[NH3+])c1cccs1 ZINC000250348382 536135343 /nfs/dbraw/zinc/13/53/43/536135343.db2.gz RSBUCUGOFPAARW-IJLUTSLNSA-N 2 0 281.425 1.594 10 0 CDAERP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@@H](O)CC1CCCC1 ZINC000191016138 536347785 /nfs/dbraw/zinc/34/77/85/536347785.db2.gz SKUJDQKPCJGRSO-KRWDZBQOSA-N 2 0 297.487 1.497 10 0 CDAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@H]1C[C@@H]([NH2+]CCCF)C1 ZINC001691757959 1174454581 /nfs/dbraw/zinc/45/45/81/1174454581.db2.gz OVOGAORZRJJLCS-ZQDZILKHSA-N 2 0 299.434 1.703 10 0 CDAERP C[NH+](C)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000763046012 576703412 /nfs/dbraw/zinc/70/34/12/576703412.db2.gz ZMNIPTOFXPHBCR-UHFFFAOYSA-N 2 0 253.390 1.023 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001690108811 1175377688 /nfs/dbraw/zinc/37/76/88/1175377688.db2.gz STBIGFXRXYAWPY-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CCC/C=C\CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001690298887 1175431069 /nfs/dbraw/zinc/43/10/69/1175431069.db2.gz WNSZKQTWXZJAOI-FCLICNRPSA-N 2 0 293.455 1.921 10 0 CDAERP CC1(C)C[C@@H]([NH2+]CCN2CC=CCC2)C[C@@H]([NH3+])C1 ZINC000925662822 617609250 /nfs/dbraw/zinc/60/92/50/617609250.db2.gz LRTALDPNQNZIIN-KGLIPLIRSA-N 2 0 251.418 1.744 10 0 CDAERP CC(C)[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)N1CCOCC1 ZINC000925516868 617426658 /nfs/dbraw/zinc/42/66/58/617426658.db2.gz JQIHBGKKWKBYLA-PMPSAXMXSA-N 2 0 297.487 1.839 10 0 CDAERP CC[NH+]1CCC(CC[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925519973 617431167 /nfs/dbraw/zinc/43/11/67/617431167.db2.gz WBPSYSSFDNJISO-GJZGRUSLSA-N 2 0 265.445 1.968 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]CCN2CCc3ccccc3C2)C12CCC2 ZINC000925526122 617449089 /nfs/dbraw/zinc/44/90/89/617449089.db2.gz GZSHUNPITBHEDQ-SJORKVTESA-N 2 0 285.435 1.904 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1CCC(O)CC1 ZINC000926718455 617467929 /nfs/dbraw/zinc/46/79/29/617467929.db2.gz NEXIBYFNQQMRAV-OTHKPKEBSA-N 2 0 252.402 1.467 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCS(=O)(=O)CC2CC2)C1 ZINC000925582509 617530749 /nfs/dbraw/zinc/53/07/49/617530749.db2.gz GGDLYGGREWARKD-STQMWFEESA-N 2 0 288.457 1.307 10 0 CDAERP CC1(C)[NH2+]CC[C@@H]1Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000925592955 617538906 /nfs/dbraw/zinc/53/89/06/617538906.db2.gz BUTLKORNGXYIEM-ZDUSSCGKSA-N 2 0 257.341 1.820 10 0 CDAERP CC(C)[C@H](CN[C@@H]1CC[NH2+]C12CCC2)[NH+]1CCCC1 ZINC000925606354 617548451 /nfs/dbraw/zinc/54/84/51/617548451.db2.gz NISNKAMERXYPGQ-LSDHHAIUSA-N 2 0 265.445 1.981 10 0 CDAERP CC(C)COC[C@H](O)C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925613238 617557965 /nfs/dbraw/zinc/55/79/65/617557965.db2.gz QURUOLSEPRQVPN-HZSPNIEDSA-N 2 0 272.433 1.516 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@]1(C(F)(F)F)CCCN1 ZINC000925856482 617895934 /nfs/dbraw/zinc/89/59/34/617895934.db2.gz QZSGYYOWKSAFAA-BJDJZHNGSA-N 2 0 295.349 1.013 10 0 CDAERP C[N@@H+]1C[C@@H]2C[NH+](CCC[C@@H]3CCOC3)C[C@]2(C)C1 ZINC000933733496 617598915 /nfs/dbraw/zinc/59/89/15/617598915.db2.gz KJCGFKXKONXAQX-KFWWJZLASA-N 2 0 252.402 1.687 10 0 CDAERP COC(=O)c1cc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])n(C)c1C ZINC000925771249 617636550 /nfs/dbraw/zinc/63/65/50/617636550.db2.gz ZAAJDDVAKHLALB-SMDDNHRTSA-N 2 0 279.384 1.337 10 0 CDAERP COC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)[C@@H]1CCCOC1 ZINC000925777510 617674665 /nfs/dbraw/zinc/67/46/65/617674665.db2.gz FECXNJXOKUOERK-TUVASFSCSA-N 2 0 284.444 1.924 10 0 CDAERP C(C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)CN1CC[NH2+]CC1 ZINC000925688775 617683253 /nfs/dbraw/zinc/68/32/53/617683253.db2.gz FLUUTQHQRFZTAN-SJORKVTESA-N 3 0 294.487 1.040 10 0 CDAERP CCO[C@H]1C[C@@H]([NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000925692413 617701371 /nfs/dbraw/zinc/70/13/71/617701371.db2.gz KDPHTMYCLHSDHS-XHJNMGKDSA-N 2 0 252.402 1.920 10 0 CDAERP C[C@@H]1C[C@@H](NC[C@H]2C[NH2+]CCC2(F)F)CC[N@@H+]1C ZINC000925786120 617709193 /nfs/dbraw/zinc/70/91/93/617709193.db2.gz VVFZDHQFBDJVAS-UTUOFQBUSA-N 2 0 261.360 1.304 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@@H]2CCc3ccccc32)CC1 ZINC000925809303 617750337 /nfs/dbraw/zinc/75/03/37/617750337.db2.gz PQYSGNMYGNTJRF-MRXNPFEDSA-N 2 0 259.397 1.687 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H](N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000925705129 617786066 /nfs/dbraw/zinc/78/60/66/617786066.db2.gz HUJUPEFQNGASPM-MCIONIFRSA-N 2 0 253.434 2.000 10 0 CDAERP CSC1(C[NH2+][C@@H]2CN3C[C@@H]2CCC3)CC[NH+](C)CC1 ZINC000926448609 617804214 /nfs/dbraw/zinc/80/42/14/617804214.db2.gz ODNXZNYSLWBBJZ-UONOGXRCSA-N 2 0 283.485 1.498 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925718964 617841662 /nfs/dbraw/zinc/84/16/62/617841662.db2.gz LAWAWWXPTOMCFP-YHUYYLMFSA-N 2 0 265.445 1.885 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925721072 617844424 /nfs/dbraw/zinc/84/44/24/617844424.db2.gz XWDMUTYTMKYZIL-XHJNMGKDSA-N 2 0 251.418 1.493 10 0 CDAERP Cc1cc(CC[NH2+][C@@H]2CCCCC[C@H]2[NH3+])nn1C ZINC000925833849 617859577 /nfs/dbraw/zinc/85/95/77/617859577.db2.gz KVKDLHQFDKSDLJ-ZIAGYGMSSA-N 2 0 250.390 1.521 10 0 CDAERP C[C@@H](CC1CCOCC1)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925843436 617876915 /nfs/dbraw/zinc/87/69/15/617876915.db2.gz FVMXCRLWBWGQBG-INIZCTEOSA-N 2 0 297.487 1.857 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]CCCCCN2CC[NH2+]CC2)[C@H](C)C1 ZINC000925846346 617881492 /nfs/dbraw/zinc/88/14/92/617881492.db2.gz SBKCCNKHBQDPQY-SJORKVTESA-N 3 0 296.503 1.382 10 0 CDAERP C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1 ZINC000925856557 617895115 /nfs/dbraw/zinc/89/51/15/617895115.db2.gz RGLLTKSLIQNFNA-MCIONIFRSA-N 2 0 280.412 1.840 10 0 CDAERP Cc1nccnc1CC[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000926491637 617899375 /nfs/dbraw/zinc/89/93/75/617899375.db2.gz YSVAISXOUJSUGH-JKSUJKDBSA-N 2 0 274.412 1.934 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](CN[C@@H]2C[NH+]3C[C@@H]2CCC3)C1 ZINC000924959602 618423044 /nfs/dbraw/zinc/42/30/44/618423044.db2.gz KFFSMZWOUICAIX-HRCADAONSA-N 2 0 265.445 1.791 10 0 CDAERP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCOC23CCOCC3)C1 ZINC000925009451 618764310 /nfs/dbraw/zinc/76/43/10/618764310.db2.gz HJYPCKUOGHIJMB-ZIAGYGMSSA-N 2 0 268.401 1.256 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@H]1C)[NH+]1CCCCC1 ZINC000928444187 619090387 /nfs/dbraw/zinc/09/03/87/619090387.db2.gz JRIOHSAMMIAKJS-SOUVJXGZSA-N 2 0 281.444 1.706 10 0 CDAERP COC(=O)[C@H]1[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1(F)F ZINC000894912787 619139912 /nfs/dbraw/zinc/13/99/12/619139912.db2.gz XQBNYIFQELUCLT-UPUXHGCUSA-N 2 0 288.338 1.256 10 0 CDAERP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cnn(C2CCC2)c1 ZINC000925119846 619385739 /nfs/dbraw/zinc/38/57/39/619385739.db2.gz ZZGMXYNIZCINAM-CYBMUJFWSA-N 2 0 292.427 1.715 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000896261025 620038234 /nfs/dbraw/zinc/03/82/34/620038234.db2.gz YCNXMTXJWMBZRH-LSDHHAIUSA-N 2 0 279.428 1.558 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CC[NH+]2C(C)(C)C)CC[N@@H+]1C ZINC000896624984 620165226 /nfs/dbraw/zinc/16/52/26/620165226.db2.gz ZQKNBGAIXFRONK-MGPQQGTHSA-N 2 0 281.444 1.800 10 0 CDAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C[C@H]1CC(C)(C)CO1 ZINC000896682207 620191426 /nfs/dbraw/zinc/19/14/26/620191426.db2.gz RWRASRZQOFLYNV-AWEZNQCLSA-N 2 0 299.459 1.143 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@H](C)c2cn(C)nn2)CC1 ZINC000902791697 625405652 /nfs/dbraw/zinc/40/56/52/625405652.db2.gz XITNDYNCQCHNEH-GFCCVEGCSA-N 2 0 265.405 1.588 10 0 CDAERP c1c([C@@H]2CCC[NH2+]C2)nnn1C[C@H]1CCCC[NH2+]C1 ZINC000899742319 622403654 /nfs/dbraw/zinc/40/36/54/622403654.db2.gz VUGPILDNNVGORQ-QWHCGFSZSA-N 2 0 263.389 1.135 10 0 CDAERP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900304732 622875379 /nfs/dbraw/zinc/87/53/79/622875379.db2.gz FPCKNDHSVWIIKZ-DZKIICNBSA-N 2 0 299.459 1.068 10 0 CDAERP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000903223333 625919897 /nfs/dbraw/zinc/91/98/97/625919897.db2.gz BIJKABRXRSUXJT-BKHBHUSPSA-N 2 0 292.423 1.538 10 0 CDAERP C[N@@H+]1CC[C@H](NC[C@H]2CCC[NH2+]2)[C@@H]1c1ccccc1 ZINC000903458968 625994629 /nfs/dbraw/zinc/99/46/29/625994629.db2.gz OLMKFBXTLALZTD-PMPSAXMXSA-N 2 0 259.397 1.773 10 0 CDAERP C[C@@H]1CC2(C[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C)CC[NH2+]CC2 ZINC000903459368 625994790 /nfs/dbraw/zinc/99/47/90/625994790.db2.gz HSGOCPJLTGIQPV-MCIONIFRSA-N 3 0 251.418 1.306 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN(Cc3cccc(O)c3)CC2)C1 ZINC000903442631 625997228 /nfs/dbraw/zinc/99/72/28/625997228.db2.gz VHODCNPLOBYWAG-JKSUJKDBSA-N 2 0 289.423 1.637 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C[C@@H]2C[NH2+]C[C@H]2C)C[C@H]1C ZINC000903443628 625997600 /nfs/dbraw/zinc/99/76/00/625997600.db2.gz FWUGFJDLTFFOSV-APIJFGDWSA-N 2 0 253.434 1.647 10 0 CDAERP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC[C@H]1C(F)(F)F ZINC000903473854 626004513 /nfs/dbraw/zinc/00/45/13/626004513.db2.gz AODNSOWNUDXVLJ-WISYIIOYSA-N 3 0 279.350 1.573 10 0 CDAERP COc1cccc([C@H]2C[NH2+]CCN2C[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903482523 626006710 /nfs/dbraw/zinc/00/67/10/626006710.db2.gz KDQGVEPERVVHDC-UKPHBRMFSA-N 2 0 289.423 1.497 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ccncc1C)C2 ZINC000903494527 626011491 /nfs/dbraw/zinc/01/14/91/626011491.db2.gz IPZIAADRSGIFPY-LZWOXQAQSA-N 2 0 289.379 1.102 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)N(C)[C@H]2CCCC[C@@H]2C)C[C@H]1CC[NH3+] ZINC000903496720 626012172 /nfs/dbraw/zinc/01/21/72/626012172.db2.gz ABLJUTQJOMZIHT-JJXSEGSLSA-N 2 0 295.471 1.940 10 0 CDAERP CC(C)(C)C[N@H+](CCO)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903890237 626124412 /nfs/dbraw/zinc/12/44/12/626124412.db2.gz AEKNGJGHYOSZHG-AGUYFDCRSA-N 2 0 254.418 1.857 10 0 CDAERP COC(=O)C1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903873417 626127849 /nfs/dbraw/zinc/12/78/49/626127849.db2.gz QRMRLCIXWYVABB-QXMXGUDHSA-N 2 0 266.385 1.402 10 0 CDAERP C[C@@H]1SCCN(Cc2cnnn2[C@H]2CCC[NH2+]C2)[C@H]1C ZINC000903894620 626135463 /nfs/dbraw/zinc/13/54/63/626135463.db2.gz AQCGESXGLFUDPA-AVGNSLFASA-N 2 0 295.456 1.528 10 0 CDAERP COCCOC[C@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903896758 626136489 /nfs/dbraw/zinc/13/64/89/626136489.db2.gz FQSZPYAVCGEXEU-HNSVSWJLSA-N 2 0 282.428 1.502 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[NH2+]C2(CO)CCCCC2)cnn1C ZINC000903905663 626140594 /nfs/dbraw/zinc/14/05/94/626140594.db2.gz LHQULWRHYBBABZ-AWEZNQCLSA-N 2 0 294.443 1.131 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCSCC[C@@H]2C)cnn1C ZINC000903908312 626142590 /nfs/dbraw/zinc/14/25/90/626142590.db2.gz GMVFTVFZDDBATA-JSGCOSHPSA-N 2 0 296.484 1.673 10 0 CDAERP CC[C@@]1(CO)CCC[N@@H+]1C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903909537 626143467 /nfs/dbraw/zinc/14/34/67/626143467.db2.gz VYNCBHFPYUQKKX-ZBFHGGJFSA-N 2 0 294.443 1.083 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[NH2+]CCc2ccccn2)cnn1C ZINC000903924898 626148770 /nfs/dbraw/zinc/14/87/70/626148770.db2.gz JQYORYUNPOKCBK-CQSZACIVSA-N 2 0 287.411 1.073 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@H+]2CC(C)(C)C[C@@H]2C)cnn1C ZINC000903930202 626150825 /nfs/dbraw/zinc/15/08/25/626150825.db2.gz UVAKLWIRWFUNFO-GXTWGEPZSA-N 2 0 278.444 1.966 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CC(C)(C)C[C@@H]2C)cnn1C ZINC000903930203 626151218 /nfs/dbraw/zinc/15/12/18/626151218.db2.gz UVAKLWIRWFUNFO-JSGCOSHPSA-N 2 0 278.444 1.966 10 0 CDAERP CC1([NH+]2CCCC2)CCN(C[C@H]([NH3+])CC(F)F)CC1 ZINC000903934724 626153520 /nfs/dbraw/zinc/15/35/20/626153520.db2.gz JFFRLAYTFXMKTI-GFCCVEGCSA-N 2 0 275.387 1.919 10 0 CDAERP O=C1NCCC12CC[NH+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000903937095 626155074 /nfs/dbraw/zinc/15/50/74/626155074.db2.gz BDWCCDPESZBYOQ-AGUYFDCRSA-N 2 0 277.412 1.119 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000903966777 626172278 /nfs/dbraw/zinc/17/22/78/626172278.db2.gz CADHPYMJLCKFFG-BSWAZPDLSA-N 2 0 273.424 1.925 10 0 CDAERP C[NH2+][C@@H](C)Cc1noc(C(C)(C)[C@H]([NH3+])C(C)C)n1 ZINC000905303415 626755790 /nfs/dbraw/zinc/75/57/90/626755790.db2.gz ALSFJSFHNBOJQB-GXSJLCMTSA-N 2 0 254.378 1.481 10 0 CDAERP C(C[C@@H]1CCC[NH2+]C1)c1nc(CC2CC[NH2+]CC2)no1 ZINC000905308463 626757494 /nfs/dbraw/zinc/75/74/94/626757494.db2.gz KGBFWHIIKCEPMJ-ZDUSSCGKSA-N 2 0 278.400 1.544 10 0 CDAERP CCO[C@@H]1[C@H](C)[C@H]1C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000912304478 629915155 /nfs/dbraw/zinc/91/51/55/629915155.db2.gz QLQPBSUXLFCUDG-GBJTYRQASA-N 2 0 299.459 1.046 10 0 CDAERP C[NH+](C)Cc1ccc(C(=O)N2CC([NH+]3CCCC3)C2)cn1 ZINC000912323130 629932992 /nfs/dbraw/zinc/93/29/92/629932992.db2.gz XGVOXRPNABZQOH-UHFFFAOYSA-N 2 0 288.395 1.063 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000914069255 631007376 /nfs/dbraw/zinc/00/73/76/631007376.db2.gz VGXUOAAHNDWNON-UPJWGTAASA-N 2 0 270.421 1.109 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)NC(C)(C)C[NH+]2CCCC2)CC[N@@H+]1C ZINC000925334210 632873276 /nfs/dbraw/zinc/87/32/76/632873276.db2.gz AYTZTCANNATXHW-OLZOCXBDSA-N 2 0 282.432 1.253 10 0 CDAERP Cc1nn2c(C[NH2+]C[C@H]3C[C@@H]([NH+](C)C)C3)c(C)nc2s1 ZINC000655827759 633159086 /nfs/dbraw/zinc/15/90/86/633159086.db2.gz ZNCSKVCQTBQFDV-TXEJJXNPSA-N 2 0 293.440 1.837 10 0 CDAERP CC(=O)[C@@](C)(O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000829444110 682702581 /nfs/dbraw/zinc/70/25/81/682702581.db2.gz VNTPFDACDLZXMU-AWEZNQCLSA-N 2 0 268.401 1.134 10 0 CDAERP CC1(C)[C@H](C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1(F)F ZINC000925704761 683865499 /nfs/dbraw/zinc/86/54/99/683865499.db2.gz FEXSZMHLEUNUIA-DCHHYWPUSA-N 2 0 256.340 1.864 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cn(C)nc2Cl)CC1 ZINC000856766006 683930865 /nfs/dbraw/zinc/93/08/65/683930865.db2.gz PGIAZMBYDXIMHE-GFCCVEGCSA-N 2 0 299.850 1.189 10 0 CDAERP C[NH2+]CCC1CC[NH+](Cc2cc(C)nnc2C)CC1 ZINC000720586384 679711678 /nfs/dbraw/zinc/71/16/78/679711678.db2.gz DBVUQMSMSUGMEY-UHFFFAOYSA-N 2 0 262.401 1.915 10 0 CDAERP CC1CC[NH+](CCN2CC[NH+](CCCCCO)CC2)CC1 ZINC000931497173 679712723 /nfs/dbraw/zinc/71/27/23/679712723.db2.gz OXQLGUPGCGFNGI-UHFFFAOYSA-N 2 0 297.487 1.499 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)/C=C\c1ccco1 ZINC000855345480 679721585 /nfs/dbraw/zinc/72/15/85/679721585.db2.gz BNULUJDJEMYPQQ-CKXPSTMWSA-N 2 0 293.411 1.681 10 0 CDAERP CN(CC[C@@H]1CCCC[N@@H+]1C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923324724 679722232 /nfs/dbraw/zinc/72/22/32/679722232.db2.gz JRCFYUJPVRJNPR-GJZGRUSLSA-N 2 0 281.444 1.171 10 0 CDAERP CCCn1cc([C@@H](C)[NH2+]CCCC[NH+](C)C)nn1 ZINC000715892684 679729278 /nfs/dbraw/zinc/72/92/78/679729278.db2.gz NMKMOFJEVKZEHN-GFCCVEGCSA-N 2 0 253.394 1.681 10 0 CDAERP FC(F)(F)c1cc2n(n1)CC[N@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000923447338 679736092 /nfs/dbraw/zinc/73/60/92/679736092.db2.gz LERLIMJJEYXSGL-JTQLQIEISA-N 2 0 288.317 1.717 10 0 CDAERP CCOCCCC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870023967 679766419 /nfs/dbraw/zinc/76/64/19/679766419.db2.gz QQGXGESVOZZPCX-HUUCEWRRSA-N 2 0 299.459 1.001 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@@H]2CCC2(OC)OC)CC1 ZINC000924953476 679767745 /nfs/dbraw/zinc/76/77/45/679767745.db2.gz CDCJYUMGKMSVQN-CQSZACIVSA-N 2 0 270.417 1.850 10 0 CDAERP C[C@@H]1C[C@H](C)[N@H+](CCO[C@H]2CCOC2)C[C@@H]1C[NH3+] ZINC000724944112 679779313 /nfs/dbraw/zinc/77/93/13/679779313.db2.gz SNXKUIAHAAGYER-RFGFWPKPSA-N 2 0 256.390 1.097 10 0 CDAERP CCCCC[N@H+](CC)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001691019659 1158535817 /nfs/dbraw/zinc/53/58/17/1158535817.db2.gz DPTSKPQKKWXSNR-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH2+]CC2(C)C)C1 ZINC000711392880 679780976 /nfs/dbraw/zinc/78/09/76/679780976.db2.gz HEWQZKBKSDPJPO-QWHCGFSZSA-N 2 0 281.444 1.469 10 0 CDAERP C[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1cnccc1N ZINC000925847403 679790144 /nfs/dbraw/zinc/79/01/44/679790144.db2.gz RKZFJOSBZSCVPZ-CQSZACIVSA-N 2 0 291.443 1.220 10 0 CDAERP [NH3+]CCCCCCC[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000852754319 679791126 /nfs/dbraw/zinc/79/11/26/679791126.db2.gz DMTBJIKHCISZOD-CQSZACIVSA-N 2 0 265.405 1.509 10 0 CDAERP CC(C)OC(=O)N1CCC([NH2+][C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000817911893 679809171 /nfs/dbraw/zinc/80/91/71/679809171.db2.gz MZIQDJVMDJWSEI-VXGBXAGGSA-N 2 0 271.405 1.711 10 0 CDAERP CC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)[C@@H]1CCCOC1 ZINC000872030938 679815605 /nfs/dbraw/zinc/81/56/05/679815605.db2.gz DOIRIYKBYZEMQH-ZACQAIPSSA-N 2 0 297.487 1.665 10 0 CDAERP CC(C)(C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)CS(C)(=O)=O ZINC000723882454 679818949 /nfs/dbraw/zinc/81/89/49/679818949.db2.gz JHLOKCIPIXLNMX-YNEHKIRRSA-N 2 0 288.457 1.035 10 0 CDAERP CC[N@H+](CCNC(=O)N[C@@H]1CC[C@@H]2C[NH+](C)C[C@@H]12)C1CC1 ZINC001649280259 1158564317 /nfs/dbraw/zinc/56/43/17/1158564317.db2.gz XREBYZRHIJZIHC-BPLDGKMQSA-N 2 0 294.443 1.110 10 0 CDAERP CC[N@@H+](Cc1ccccc1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923299917 679741489 /nfs/dbraw/zinc/74/14/89/679741489.db2.gz JCHZGDVJBVTEDP-HNNXBMFYSA-N 2 0 260.381 1.887 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)NC2CC([NH+](C)C)C2)CC1 ZINC000857227077 679830377 /nfs/dbraw/zinc/83/03/77/679830377.db2.gz FWCYEPCOKLGGTC-UHFFFAOYSA-N 2 0 267.417 1.316 10 0 CDAERP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CCc1ccns1 ZINC000930062991 679833359 /nfs/dbraw/zinc/83/33/59/679833359.db2.gz ZXAHYDKTIGZHQZ-YUELXQCFSA-N 2 0 295.452 1.869 10 0 CDAERP CC1(C)C[C@@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)C[C@@H]([NH3+])C1 ZINC000925536206 679838011 /nfs/dbraw/zinc/83/80/11/679838011.db2.gz CJMCGKHXSSGUSS-MJBXVCDLSA-N 2 0 265.445 1.966 10 0 CDAERP CCCCC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923497698 679844463 /nfs/dbraw/zinc/84/44/63/679844463.db2.gz CIJVREVYXQSNDW-SOUVJXGZSA-N 2 0 283.460 1.988 10 0 CDAERP C[C@@H](CCNC(=[NH2+])N1CCO[C@@H](C)C1)[NH+]1CCCCC1 ZINC000849018439 679850932 /nfs/dbraw/zinc/85/09/32/679850932.db2.gz VKFAXHWXWXWUCA-KBPBESRZSA-N 2 0 282.432 1.496 10 0 CDAERP CO[C@H]1C[C@@H](C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000872145872 679854225 /nfs/dbraw/zinc/85/42/25/679854225.db2.gz XNVNIPNPIOWRQR-LJIZCISZSA-N 2 0 282.428 1.772 10 0 CDAERP Cn1ncc(CN2CC[C@](C[NH3+])(C(C)(C)C)C2)n1 ZINC000866707456 679862881 /nfs/dbraw/zinc/86/28/81/679862881.db2.gz OOHQBXIFSFUWQY-CYBMUJFWSA-N 2 0 251.378 1.012 10 0 CDAERP C[N@H+](CCCC[NH+]1CCCCC1)CCO[C@H]1CCOC1 ZINC000931704375 679864172 /nfs/dbraw/zinc/86/41/72/679864172.db2.gz VVMUYACEYUIGKT-INIZCTEOSA-N 2 0 284.444 1.990 10 0 CDAERP CC(=O)NCCCCC[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000931700639 682002960 /nfs/dbraw/zinc/00/29/60/682002960.db2.gz RILVCQYTLQFWTH-UHFFFAOYSA-N 2 0 281.444 1.853 10 0 CDAERP CC1(C)C[C@@H]([NH2+]CC[C@@H]2CNC(=O)C2)C[C@@H]([NH3+])C1 ZINC000925838861 682231117 /nfs/dbraw/zinc/23/11/17/682231117.db2.gz OOTPUSHUXZNJFC-TUAOUCFPSA-N 2 0 253.390 1.008 10 0 CDAERP COC(=O)N1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000858122155 681217160 /nfs/dbraw/zinc/21/71/60/681217160.db2.gz DGDJDWGPLCJTNO-OLZOCXBDSA-N 2 0 283.416 1.680 10 0 CDAERP Cc1cnc(CN2CC[C@](C[NH3+])(C(C)(C)C)C2)cn1 ZINC000866706306 681531306 /nfs/dbraw/zinc/53/13/06/681531306.db2.gz NWWUJLHJQUYREN-OAHLLOKOSA-N 2 0 262.401 1.982 10 0 CDAERP C([NH2+][C@H]1CC[C@@H]2SCCS[C@H]12)C12CC(C1)C[NH2+]2 ZINC000853245963 681531711 /nfs/dbraw/zinc/53/17/11/681531711.db2.gz FEXPIFBMRQJUAE-DEZFMIAVSA-N 2 0 270.467 1.708 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852859001 681569048 /nfs/dbraw/zinc/56/90/48/681569048.db2.gz LGDGZFZUJMWXRM-UHFFFAOYSA-N 2 0 293.455 1.877 10 0 CDAERP C[N@H+](CCNC(=O)CC[NH2+]CC1CC1)C1CCCCC1 ZINC000870874375 681572332 /nfs/dbraw/zinc/57/23/32/681572332.db2.gz IROFGUGWBUDMAF-UHFFFAOYSA-N 2 0 281.444 1.757 10 0 CDAERP CC(C)OC[C@@H](O)C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000872203068 681573659 /nfs/dbraw/zinc/57/36/59/681573659.db2.gz URVDOJSQKNVTBP-IHRRRGAJSA-N 2 0 258.406 1.235 10 0 CDAERP C[N@H+](CCO[C@@H]1CCOC1)C[C@@H]1CCC[NH+](C)C1 ZINC000929698875 681587909 /nfs/dbraw/zinc/58/79/09/681587909.db2.gz BCIVXTRXAIAZTB-ZIAGYGMSSA-N 2 0 256.390 1.066 10 0 CDAERP C(CN1CCSCC1)[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925482106 681592673 /nfs/dbraw/zinc/59/26/73/681592673.db2.gz LDEADCCTRFDNQC-CVEARBPZSA-N 2 0 297.512 1.793 10 0 CDAERP CCc1cc(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)[nH]n1 ZINC000925488142 681597114 /nfs/dbraw/zinc/59/71/14/681597114.db2.gz HHOTUZZGNPQCMV-PWSUYJOCSA-N 2 0 250.390 1.968 10 0 CDAERP C[C@@H]([NH2+]CCC[C@H]1CCOC1=O)C1CC[NH+](C)CC1 ZINC000872118187 681597395 /nfs/dbraw/zinc/59/73/95/681597395.db2.gz VHFCRKUDCMEXPG-OCCSQVGLSA-N 2 0 268.401 1.650 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H](CO)c1ccccc1 ZINC000925229771 681647853 /nfs/dbraw/zinc/64/78/53/681647853.db2.gz IKLPLQUVDAHFPL-LVYZTWJOSA-N 2 0 274.408 1.692 10 0 CDAERP C[N@@H+]1CCN(CC[NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)CC1(C)C ZINC000926356125 681703397 /nfs/dbraw/zinc/70/33/97/681703397.db2.gz GEZJFVJVUXUFHK-ARFHVFGLSA-N 2 0 277.456 1.957 10 0 CDAERP Cc1cc(NC(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)c(C)cn1 ZINC000930626337 681760616 /nfs/dbraw/zinc/76/06/16/681760616.db2.gz TXAQCXZFKKRMQD-CJNGLKHVSA-N 2 0 288.395 1.536 10 0 CDAERP CC(C)[NH+]1CCC(N2CC[NH+](C[C@H](O)C3CC3)CC2)CC1 ZINC000782181650 681775736 /nfs/dbraw/zinc/77/57/36/681775736.db2.gz FNQOOVZJDBBUCZ-KRWDZBQOSA-N 2 0 295.471 1.248 10 0 CDAERP CN1C[C@@H](CC[NH2+][C@H]2CC[NH2+]C23CCCC3)CC1=O ZINC000925814212 681803903 /nfs/dbraw/zinc/80/39/03/681803903.db2.gz YSCBIEXZCSPNDC-STQMWFEESA-N 2 0 265.401 1.119 10 0 CDAERP CC(C)[N@@H+](Cc1ccccn1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923322123 681824106 /nfs/dbraw/zinc/82/41/06/681824106.db2.gz LPTFQQIEJIECEH-HNNXBMFYSA-N 2 0 275.396 1.671 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CCN1CCC[C@H]1C ZINC000850165879 681834603 /nfs/dbraw/zinc/83/46/03/681834603.db2.gz NPIMMPDWOLFHPI-YVECIDJPSA-N 2 0 254.374 1.258 10 0 CDAERP CO[C@@](C)(CO)C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926661325 681879726 /nfs/dbraw/zinc/87/97/26/681879726.db2.gz JDEDSSUZYMAPAQ-XJKSGUPXSA-N 2 0 280.412 1.796 10 0 CDAERP CCCCCCNC(=O)CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000843382303 681893513 /nfs/dbraw/zinc/89/35/13/681893513.db2.gz LZKZRJKNJSOYQP-INIZCTEOSA-N 2 0 281.444 1.758 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2ccc(F)cn2)C1 ZINC000819151782 681899133 /nfs/dbraw/zinc/89/91/33/681899133.db2.gz FAHOBUSNCRSJRN-BBRMVZONSA-N 2 0 295.402 1.822 10 0 CDAERP CCn1cnnc1CC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925576315 681901366 /nfs/dbraw/zinc/90/13/66/681901366.db2.gz XKEGUKYDTVBOQR-NEPJUHHUSA-N 2 0 265.405 1.336 10 0 CDAERP [NH3+]C[C@H]1Cc2cc(F)ccc2N(CCC[NH2+]C2CC2)C1 ZINC000923433498 681949542 /nfs/dbraw/zinc/94/95/42/681949542.db2.gz ZYMMJNLGUAWYIG-GFCCVEGCSA-N 2 0 277.387 1.905 10 0 CDAERP Cn1ncc(CCC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)n1 ZINC000850311798 682011470 /nfs/dbraw/zinc/01/14/70/682011470.db2.gz SNFAPRVKPSMZMX-UHFFFAOYSA-N 2 0 297.366 1.118 10 0 CDAERP C[C@H](N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)[C@@H]1CCC[NH2+]1 ZINC000720479936 682025733 /nfs/dbraw/zinc/02/57/33/682025733.db2.gz CLDUPHWHZOXHEV-FQUUOJAGSA-N 2 0 269.458 1.296 10 0 CDAERP [NH3+]C[C@@H]1C[N@H+](C[C@H]2CCSC2)C[C@@H]1C(F)(F)F ZINC000720845334 682037459 /nfs/dbraw/zinc/03/74/59/682037459.db2.gz QTOOVDGGEZNXQS-BBBLOLIVSA-N 2 0 268.348 1.809 10 0 CDAERP Cn1nnc2c1C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H]3CCC[C@@H]31)CC2 ZINC000927148933 682064870 /nfs/dbraw/zinc/06/48/70/682064870.db2.gz YUOPTVPWSGMCST-CXTNEJHOSA-N 2 0 289.427 1.135 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCCCCF)C1 ZINC001266601978 1158652928 /nfs/dbraw/zinc/65/29/28/1158652928.db2.gz RJZCUJXXPCTBHU-KKUMJFAQSA-N 2 0 299.434 1.847 10 0 CDAERP [NH3+]CCCCCC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000863576237 682073857 /nfs/dbraw/zinc/07/38/57/682073857.db2.gz VFZQPOXILJXEPO-MRXNPFEDSA-N 3 0 283.460 1.596 10 0 CDAERP O[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)C1(O)CCC1 ZINC000930060525 682158501 /nfs/dbraw/zinc/15/85/01/682158501.db2.gz KQQJTIURMQNCJE-NUEKZKHPSA-N 2 0 294.439 1.211 10 0 CDAERP CCCCCC[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709974 682248645 /nfs/dbraw/zinc/24/86/45/682248645.db2.gz VCUCIXPFMDZRTD-MJBXVCDLSA-N 2 0 281.400 1.434 10 0 CDAERP [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(Cl)nc3)C[C@H]12 ZINC000310448182 682257328 /nfs/dbraw/zinc/25/73/28/682257328.db2.gz UXMGEZIYRGFCBS-GRYCIOLGSA-N 2 0 251.761 1.904 10 0 CDAERP Cn1nnc2c1C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)CC2 ZINC000925892937 682334270 /nfs/dbraw/zinc/33/42/70/682334270.db2.gz ICZDLXLALLAZIV-QJPTWQEYSA-N 2 0 277.416 1.168 10 0 CDAERP CCc1cc(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)[nH]n1 ZINC000925488138 682390345 /nfs/dbraw/zinc/39/03/45/682390345.db2.gz HHOTUZZGNPQCMV-JQWIXIFHSA-N 2 0 250.390 1.968 10 0 CDAERP Cc1c([C@@H](C)[NH2+]CCN2CCC([NH3+])CC2)cnn1C(C)C ZINC000925812866 682418139 /nfs/dbraw/zinc/41/81/39/682418139.db2.gz PVXFDTTUBVJLOY-CYBMUJFWSA-N 2 0 293.459 1.846 10 0 CDAERP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@H]2CC3(CCC3)CO2)C1 ZINC000872142372 682443433 /nfs/dbraw/zinc/44/34/33/682443433.db2.gz ROBLGBVYBQDFNL-KBPBESRZSA-N 2 0 252.402 1.877 10 0 CDAERP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925776147 682456570 /nfs/dbraw/zinc/45/65/70/682456570.db2.gz JGXCEWBCACRWME-STQMWFEESA-N 2 0 286.370 1.742 10 0 CDAERP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CCC12CC(C1)C[NH2+]2 ZINC000870893086 682463505 /nfs/dbraw/zinc/46/35/05/682463505.db2.gz PEVQFXZXZWKAQY-RXFTYZNJSA-N 2 0 279.428 1.317 10 0 CDAERP C[C@@H]1C[N@H+](C[C@@H](O)CCc2ccccc2)CC[C@H]1C[NH3+] ZINC000923492336 682487368 /nfs/dbraw/zinc/48/73/68/682487368.db2.gz MXUHURFZCFEUIV-PVAVHDDUSA-N 2 0 276.424 1.897 10 0 CDAERP O=c1cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc[nH]1 ZINC000921612906 682572961 /nfs/dbraw/zinc/57/29/61/682572961.db2.gz YTFVPJJBXPCBLE-UHFFFAOYSA-N 2 0 261.369 1.894 10 0 CDAERP CC1CC[NH+](CCCNC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CC1 ZINC000715095807 682590977 /nfs/dbraw/zinc/59/09/77/682590977.db2.gz UHNGVKIHYHXNMX-RYUDHWBXSA-N 2 0 289.370 1.065 10 0 CDAERP COc1cccc(OCC[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923499079 682604660 /nfs/dbraw/zinc/60/46/60/682604660.db2.gz RHZONISAUASEPR-UONOGXRCSA-N 2 0 278.396 1.991 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)N(C)CC[C@@H]2CCCC[NH+]2C)CC[N@@H+]1C ZINC000925326670 682619330 /nfs/dbraw/zinc/61/93/30/682619330.db2.gz MXOFGGFZPFNIDV-ILXRZTDVSA-N 2 0 296.459 1.595 10 0 CDAERP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)c2ccc(F)cn2)C1 ZINC000819366358 682622471 /nfs/dbraw/zinc/62/24/71/682622471.db2.gz OOAHVFPHRRZDJX-SWLSCSKDSA-N 2 0 281.375 1.576 10 0 CDAERP CC1(C)[C@H](NC[C@@H]2CCC[NH2+]C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925691671 682657391 /nfs/dbraw/zinc/65/73/91/682657391.db2.gz JKXIENFNQPHVLZ-YIYPIFLZSA-N 2 0 251.418 1.352 10 0 CDAERP C[C@@H]1COC[C@@H](C)C1[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000926573104 682694056 /nfs/dbraw/zinc/69/40/56/682694056.db2.gz KEKOFHVSCFUCFL-MCIONIFRSA-N 2 0 254.418 1.979 10 0 CDAERP C[C@H](CN[C@H]1CC[NH2+]C12CCCC2)C[NH+]1CCOCC1 ZINC000925510621 682803522 /nfs/dbraw/zinc/80/35/22/682803522.db2.gz YFXUTUHYEBQIBC-CABCVRRESA-N 2 0 281.444 1.219 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@]2(F)CC[NH2+]C2)cc1 ZINC000841848251 682807795 /nfs/dbraw/zinc/80/77/95/682807795.db2.gz FPOFCLXBPROJKF-YGRLFVJLSA-N 2 0 265.332 1.024 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCO[C@H]2CCOC2)[C@@H](C)C1 ZINC000930000812 682819989 /nfs/dbraw/zinc/81/99/89/682819989.db2.gz RYJKMJFSYUFVGX-KKUMJFAQSA-N 2 0 270.417 1.454 10 0 CDAERP [NH3+]CCCCCCNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000843505771 682827083 /nfs/dbraw/zinc/82/70/83/682827083.db2.gz MEJXMDATUIFEMC-ZIAGYGMSSA-N 2 0 269.433 1.919 10 0 CDAERP CC(C)[NH2+]CCc1nc([C@@H]2CN3CCC[C@@H]3CO2)no1 ZINC000091686264 682827915 /nfs/dbraw/zinc/82/79/15/682827915.db2.gz RGMFQJDCXKZEFL-NEPJUHHUSA-N 2 0 280.372 1.146 10 0 CDAERP CC(C)OCCC[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923448924 682830397 /nfs/dbraw/zinc/83/03/97/682830397.db2.gz IJNVSTQDXCDSIR-AWEZNQCLSA-N 2 0 270.417 1.631 10 0 CDAERP C[C@H](CNC(=O)C=C1CC[NH2+]CC1)[N@@H+]1CCCC[C@H]1C ZINC000852858959 682833434 /nfs/dbraw/zinc/83/34/34/682833434.db2.gz NFDAUJZVAOKCRG-ZIAGYGMSSA-N 2 0 279.428 1.675 10 0 CDAERP CCn1c(C)nnc1CN(C)CCCCCC[NH3+] ZINC000710835633 682838034 /nfs/dbraw/zinc/83/80/34/682838034.db2.gz XMAGCLMKWOPWNO-UHFFFAOYSA-N 2 0 253.394 1.557 10 0 CDAERP Cc1ncc(C[N@H+](C)C[C@@H]2CC3(C[NH2+]C3)CO2)s1 ZINC000923323296 682841402 /nfs/dbraw/zinc/84/14/02/682841402.db2.gz XHXWNTGIYVSKIK-NSHDSACASA-N 2 0 267.398 1.262 10 0 CDAERP C1CC2(C1)[NH2+]CC[C@@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000925708629 682843334 /nfs/dbraw/zinc/84/33/34/682843334.db2.gz MVMIBNGYDKSVOV-GPANFISMSA-N 3 0 292.471 1.077 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)C[C@H]([NH3+])C2CC2)CC[N@@H+]1C ZINC000830350450 682846116 /nfs/dbraw/zinc/84/61/16/682846116.db2.gz CHQQRVHQFWQOKV-RTXFEEFZSA-N 2 0 253.390 1.055 10 0 CDAERP NC(=O)[C@H]1CC[C@H](C[NH2+][C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000926601943 682853147 /nfs/dbraw/zinc/85/31/47/682853147.db2.gz YARVMNGCJRAIRV-VGWMRTNUSA-N 2 0 293.455 1.885 10 0 CDAERP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCOC23CCOCC3)C1 ZINC000926574042 683044284 /nfs/dbraw/zinc/04/42/84/683044284.db2.gz TZIWUHQEAPFQJM-CABCVRRESA-N 2 0 282.428 1.646 10 0 CDAERP [NH3+]C[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)C[C@@H]1C(F)(F)F ZINC000872150389 683061832 /nfs/dbraw/zinc/06/18/32/683061832.db2.gz DYUNSPLLXYIONE-NEPJUHHUSA-N 3 0 279.350 1.445 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)N(C)c2ccccc2)C[C@H]1CC[NH3+] ZINC000723906688 683076445 /nfs/dbraw/zinc/07/64/45/683076445.db2.gz DEQBLSZBVKZCOE-ZIAGYGMSSA-N 2 0 275.396 1.566 10 0 CDAERP c1ccc2c(c1)OC[C@@H](CN1CC[C@@]3(C1)CCC[NH2+]C3)O2 ZINC000923355870 683078858 /nfs/dbraw/zinc/07/88/58/683078858.db2.gz PADHAKGVUUHAMO-PBHICJAKSA-N 2 0 288.391 1.902 10 0 CDAERP C[C@@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCc2ccc(F)cc21 ZINC000923393399 683081957 /nfs/dbraw/zinc/08/19/57/683081957.db2.gz PRPZRDSBQYQCOU-AFCVYNCWSA-N 2 0 278.371 1.638 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000193320120 683088189 /nfs/dbraw/zinc/08/81/89/683088189.db2.gz JKAABZJIZXAIEN-KBPBESRZSA-N 2 0 267.417 1.448 10 0 CDAERP CN(CC(=O)O[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CCSC1 ZINC000810852523 683106586 /nfs/dbraw/zinc/10/65/86/683106586.db2.gz XXLIDFQGARGBGY-BFHYXJOUSA-N 2 0 298.452 1.594 10 0 CDAERP CC[NH+]1CCC(CC[NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925518522 683112480 /nfs/dbraw/zinc/11/24/80/683112480.db2.gz RKKCHKNQWJKIIL-HNNXBMFYSA-N 2 0 265.445 1.983 10 0 CDAERP CC1(C)[C@H]([NH3+])c2ccccc2N1CCN1CC[NH2+]CC1 ZINC000866701935 683125603 /nfs/dbraw/zinc/12/56/03/683125603.db2.gz SEQUAVMLFQKYGS-OAHLLOKOSA-N 2 0 274.412 1.190 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925817378 683176084 /nfs/dbraw/zinc/17/60/84/683176084.db2.gz QYGRALZJDCUCGE-IAGOWNOFSA-N 3 0 294.487 1.167 10 0 CDAERP CC1(C)C[NH2+]CC[C@H]1[NH2+]C[C@H](O)CC1CCCC1 ZINC000923369232 683196415 /nfs/dbraw/zinc/19/64/15/683196415.db2.gz IXWSWDYIFJIJKR-ZIAGYGMSSA-N 2 0 254.418 1.905 10 0 CDAERP [NH3+][C@H](C[C@H]1CCC[N@H+](CC(=O)NC2CC2)C1)C1CCCC1 ZINC000872158195 683225892 /nfs/dbraw/zinc/22/58/92/683225892.db2.gz ZKYJDCATACWHPH-CZUORRHYSA-N 2 0 293.455 1.885 10 0 CDAERP C1[C@H]([NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)C12CC[NH2+]CC2 ZINC000925703107 683251262 /nfs/dbraw/zinc/25/12/62/683251262.db2.gz CDBYSGBNLDJGPP-XQLPTFJDSA-N 2 0 264.413 1.923 10 0 CDAERP CC(C)(C[NH3+])C1CC[NH+](CCOC[C@H]2CCCO2)CC1 ZINC000714401330 683273227 /nfs/dbraw/zinc/27/32/27/683273227.db2.gz ZZLBWSXQBMDBHN-OAHLLOKOSA-N 2 0 284.444 1.879 10 0 CDAERP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C=C1CC[NH2+]CC1 ZINC000852884302 683286527 /nfs/dbraw/zinc/28/65/27/683286527.db2.gz IALSBZXHNYVPRF-TZMCWYRMSA-N 2 0 265.401 1.095 10 0 CDAERP C[C@H](NC(=O)C[N@@H+]1CC[C@H](CC[NH3+])C1)c1ccc(F)cc1 ZINC000923487519 683302287 /nfs/dbraw/zinc/30/22/87/683302287.db2.gz FDHSDVGYPRZISN-STQMWFEESA-N 2 0 293.386 1.674 10 0 CDAERP COC(=O)c1cnc(C[NH2+]C2CCC([NH+](C)C)CC2)s1 ZINC000895034750 683309016 /nfs/dbraw/zinc/30/90/16/683309016.db2.gz VVMKXWQDUIRBDV-UHFFFAOYSA-N 2 0 297.424 1.892 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)C=C2CC[NH2+]CC2)[C@H](C)C1 ZINC000852869667 683310527 /nfs/dbraw/zinc/31/05/27/683310527.db2.gz DHHPLESWWXZYJG-UKRRQHHQSA-N 2 0 279.428 1.485 10 0 CDAERP C[C@@H]([NH2+]C[C@]1(C(F)(F)F)CCCN1)C1CC[NH+](C)CC1 ZINC000925854324 683314127 /nfs/dbraw/zinc/31/41/27/683314127.db2.gz DLCKKDWERRMOJE-YPMHNXCESA-N 2 0 293.377 1.991 10 0 CDAERP CCn1ncc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)n1 ZINC000857086536 683341995 /nfs/dbraw/zinc/34/19/95/683341995.db2.gz LNCHSTBHKBYXSN-LBPRGKRZSA-N 2 0 263.389 1.262 10 0 CDAERP CCc1nsc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC000866011307 683343712 /nfs/dbraw/zinc/34/37/12/683343712.db2.gz YVBBJTSGTBLYAB-VXGBXAGGSA-N 2 0 297.472 1.276 10 0 CDAERP C[C@H](c1cnccn1)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923450193 683351813 /nfs/dbraw/zinc/35/18/13/683351813.db2.gz FHNOODSKIABRPL-CHWSQXEVSA-N 2 0 276.384 1.367 10 0 CDAERP C[C@@H](C[C@H]1COCCN1)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000715578658 683392213 /nfs/dbraw/zinc/39/22/13/683392213.db2.gz GAEIBGMWEGHEII-UIDBIOKJSA-N 3 0 283.460 1.606 10 0 CDAERP CC[NH+]1CCN([C@H](C)CN[C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925549350 683394366 /nfs/dbraw/zinc/39/43/66/683394366.db2.gz XXJIMHIHBRIMBJ-HZPDHXFCSA-N 3 0 294.487 1.277 10 0 CDAERP FCCn1cc(CN2CC[C@@H](C[NH+]3CCCC3)C2)cn1 ZINC000929697334 683415836 /nfs/dbraw/zinc/41/58/36/683415836.db2.gz RVXZUSVXCKARMG-AWEZNQCLSA-N 2 0 280.391 1.770 10 0 CDAERP CC[C@H]1CCN(C(=[NH2+])NC[C@@H]2CCC[N@@H+]2CCOC)C1 ZINC000864456527 683487009 /nfs/dbraw/zinc/48/70/09/683487009.db2.gz IDRLHNWICPVCIB-KBPBESRZSA-N 2 0 282.432 1.353 10 0 CDAERP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870876867 683500430 /nfs/dbraw/zinc/50/04/30/683500430.db2.gz PYYQNQJOBAAJHW-AESZEHBQSA-N 2 0 293.455 1.885 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H]2CCN(C3CCC3)C2=O)C1 ZINC000925724991 683541372 /nfs/dbraw/zinc/54/13/72/683541372.db2.gz PCTCQIWGSATNNQ-BZPMIXESSA-N 2 0 279.428 1.635 10 0 CDAERP C[C@@H]1C[C@@H](C)N(C(=O)C=C2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC000852893949 683587361 /nfs/dbraw/zinc/58/73/61/683587361.db2.gz RBIVQICVYQRHFA-BZPMIXESSA-N 2 0 265.401 1.128 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC(CO)(C(F)(F)F)CC2)C1 ZINC000923525893 683626538 /nfs/dbraw/zinc/62/65/38/683626538.db2.gz KMKVQQRIHIPGSM-WDEREUQCSA-N 2 0 280.334 1.751 10 0 CDAERP Cc1nccn1-c1ccc(C[NH2+]C[C@H](O)C2CC2)cn1 ZINC000818968460 683729108 /nfs/dbraw/zinc/72/91/08/683729108.db2.gz AYSHLQDNAMKNMI-AWEZNQCLSA-N 2 0 272.352 1.436 10 0 CDAERP C[C@H](C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1)CC(C)(C)C ZINC000709174706 683760280 /nfs/dbraw/zinc/76/02/80/683760280.db2.gz FIKUMJVNWMVZJR-KBPBESRZSA-N 2 0 283.460 1.846 10 0 CDAERP CN(CCC[NH+]1CCCCC1)C1(C[NH3+])CCOCC1 ZINC000725001595 683805000 /nfs/dbraw/zinc/80/50/00/683805000.db2.gz JICFRHIOQRIIRV-UHFFFAOYSA-N 2 0 269.433 1.302 10 0 CDAERP CCC[NH+]1CCC(C[NH2+]Cc2cc[nH]c(=O)c2)CC1 ZINC000921686701 683844751 /nfs/dbraw/zinc/84/47/51/683844751.db2.gz OONOJZFJGSXMAA-UHFFFAOYSA-N 2 0 263.385 1.999 10 0 CDAERP Cn1nc(C(F)(F)F)cc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000925834504 683855499 /nfs/dbraw/zinc/85/54/99/683855499.db2.gz IKEOYHNMSNJOKF-DTWKUNHWSA-N 2 0 276.306 1.798 10 0 CDAERP CCCC[N@H+](C)CCN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925483600 683875695 /nfs/dbraw/zinc/87/56/95/683875695.db2.gz VNBBZHNMWRONCC-CQSZACIVSA-N 2 0 253.434 1.983 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)N[C@H]2CCCC[C@H]2C)C[C@H]1CC[NH3+] ZINC000723886614 683885478 /nfs/dbraw/zinc/88/54/78/683885478.db2.gz MLWCIWHXWWDBQW-TUVASFSCSA-N 2 0 281.444 1.598 10 0 CDAERP O=C(CCC12CC(C1)C[NH2+]2)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000870884369 683890869 /nfs/dbraw/zinc/89/08/69/683890869.db2.gz WOENAORYEBICHW-NPCAHTBFSA-N 2 0 277.412 1.119 10 0 CDAERP C[C@H](O)c1ncc(C[NH2+]CCC2(C[NH3+])CC2)s1 ZINC000844903731 683891741 /nfs/dbraw/zinc/89/17/41/683891741.db2.gz LRUJJCRQGJZWAY-VIFPVBQESA-N 2 0 255.387 1.415 10 0 CDAERP C[C@H]1C[N@H+](CC(=O)N(C)C2CCCCC2)CC[C@@H]1C[NH3+] ZINC000923507255 683909305 /nfs/dbraw/zinc/90/93/05/683909305.db2.gz JMCXMUPDIDKQBP-UONOGXRCSA-N 2 0 281.444 1.694 10 0 CDAERP C[C@H]1CC2(CC([NH2+]C[C@H]3C[C@@H]([NH+](C)C)C3)C2)CO1 ZINC000926665504 683950209 /nfs/dbraw/zinc/95/02/09/683950209.db2.gz GCCCRYPYAGBNKV-NLXSIGEOSA-N 2 0 252.402 1.874 10 0 CDAERP Cn1nncc1C[NH2+]CC1(c2ccccc2)CC[NH+](C)CC1 ZINC000865774568 683962859 /nfs/dbraw/zinc/96/28/59/683962859.db2.gz XIUDUXBDEZUBCX-UHFFFAOYSA-N 2 0 299.422 1.568 10 0 CDAERP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc2c(c1)CCO2 ZINC000925808197 684020802 /nfs/dbraw/zinc/02/08/02/684020802.db2.gz AWRDKFISTPCKSL-CYBMUJFWSA-N 2 0 289.423 1.695 10 0 CDAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC000844196625 684026338 /nfs/dbraw/zinc/02/63/38/684026338.db2.gz MHZNWFMNTNNNDS-UONOGXRCSA-N 2 0 267.417 1.367 10 0 CDAERP C[NH+]1CCC2(CC1)C[N@H+](CC[C@H]1COC(C)(C)O1)CCO2 ZINC000852207875 684069608 /nfs/dbraw/zinc/06/96/08/684069608.db2.gz OODNITMXRYQWGP-AWEZNQCLSA-N 2 0 298.427 1.325 10 0 CDAERP CC[NH+](CC)C[C@H](C)N[C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261954478 684072637 /nfs/dbraw/zinc/07/26/37/684072637.db2.gz OUQUNAZAHIOOKQ-CAOSSQGBSA-N 2 0 283.460 1.463 10 0 CDAERP C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1cnnn1C ZINC000926798036 684100523 /nfs/dbraw/zinc/10/05/23/684100523.db2.gz RACRMROWKDJMPM-LKSINWNRSA-N 2 0 265.405 1.729 10 0 CDAERP [NH3+]C1(CNC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)CCCC1 ZINC000851671515 684103450 /nfs/dbraw/zinc/10/34/50/684103450.db2.gz MTWCVVVYOSBLAE-AWEZNQCLSA-N 2 0 280.416 1.043 10 0 CDAERP CN(C)Cc1cnc(CN2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)s1 ZINC000863651904 684121775 /nfs/dbraw/zinc/12/17/75/684121775.db2.gz OYWATJKIERDSOV-GASCZTMLSA-N 2 0 294.468 1.636 10 0 CDAERP C1CC2(C1)[NH2+]CC[C@@H]2[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000863483282 684160101 /nfs/dbraw/zinc/16/01/01/684160101.db2.gz UKQQHFSMBDWCEB-FQUUOJAGSA-N 2 0 262.397 1.818 10 0 CDAERP C[N@@H+]1CCC[C@@H]2CN(C[C@@H]3CN(C4CC4)C(=O)O3)CC[C@H]21 ZINC000844303404 684214581 /nfs/dbraw/zinc/21/45/81/684214581.db2.gz HWDSWLBMCNAHBA-BPLDGKMQSA-N 2 0 293.411 1.386 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CC2(C3(O)CCOCC3)CC2)C1 ZINC000925827967 684290718 /nfs/dbraw/zinc/29/07/18/684290718.db2.gz YZXQKOZTJKUMNG-ZIAGYGMSSA-N 2 0 296.455 1.804 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CC(=O)N(CC2CC2)C1 ZINC000716815142 684296919 /nfs/dbraw/zinc/29/69/19/684296919.db2.gz NSJPOCKFMYFITI-DGCLKSJQSA-N 2 0 253.390 1.104 10 0 CDAERP CC/C=C\CC[NH2+]CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001266724408 1158790590 /nfs/dbraw/zinc/79/05/90/1158790590.db2.gz NNPUDFCAQUGCPO-SREVYHEPSA-N 2 0 281.444 1.875 10 0 CDAERP CC/C=C\CC[N@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001480947361 1159401689 /nfs/dbraw/zinc/40/16/89/1159401689.db2.gz RDNLTBADERYYIF-PLNGDYQASA-N 2 0 267.417 1.487 10 0 CDAERP CC(C)[C@H](C(=O)N(C)CC[NH2+]CCC1CC1)[NH+]1CCCC1 ZINC001267475099 1159404641 /nfs/dbraw/zinc/40/46/41/1159404641.db2.gz XCHLKWQYWASMNJ-MRXNPFEDSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](C(=O)NC/C=C\C[NH2+]CC1CCC1)[NH+](C)C ZINC001268593441 1159990166 /nfs/dbraw/zinc/99/01/66/1159990166.db2.gz XPAYYUWHDAFXRN-GXMNPTEKSA-N 2 0 267.417 1.389 10 0 CDAERP C[N@H+](CCCCCC[NH3+])C[C@@H]1CCCS(=O)(=O)C1 ZINC000872155551 1165387448 /nfs/dbraw/zinc/38/74/48/1165387448.db2.gz PUXYGMYTPNQWLY-ZDUSSCGKSA-N 2 0 276.446 1.262 10 0 CDAERP CC[N@H+](C)CCOCCN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001566059130 1168100973 /nfs/dbraw/zinc/10/09/73/1168100973.db2.gz GWXDEWDUUFWPRQ-HNNXBMFYSA-N 2 0 299.459 1.286 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[C@H]2C[NH+](C)C[C@@H]21 ZINC001647009636 1168345974 /nfs/dbraw/zinc/34/59/74/1168345974.db2.gz KOUJOWRWHPSYBA-BYNSBNAKSA-N 2 0 279.428 1.317 10 0 CDAERP CCCCC[NH2+][C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001567071607 1168546146 /nfs/dbraw/zinc/54/61/46/1168546146.db2.gz UKZAIICTUQYHBN-ZDUSSCGKSA-N 2 0 267.417 1.367 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC1=CCCCC1 ZINC001567079142 1168551244 /nfs/dbraw/zinc/55/12/44/1168551244.db2.gz PADOETYGEOLPGX-DZGCQCFKSA-N 2 0 279.428 1.533 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001567128904 1168588740 /nfs/dbraw/zinc/58/87/40/1168588740.db2.gz XIOWRUNAMJSLNQ-UONOGXRCSA-N 2 0 299.434 1.657 10 0 CDAERP C(C[C@H]1CCO1)C[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001647402572 1168649333 /nfs/dbraw/zinc/64/93/33/1168649333.db2.gz LVPIYXIFMYTFHH-INIZCTEOSA-N 2 0 282.428 1.789 10 0 CDAERP CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001568056541 1169130086 /nfs/dbraw/zinc/13/00/86/1169130086.db2.gz FVIUAGMGWXGUDR-RBSFLKMASA-N 2 0 281.444 1.565 10 0 CDAERP CC[NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001568850895 1169518422 /nfs/dbraw/zinc/51/84/22/1169518422.db2.gz UGGPCKKTZZXMDJ-SREVYHEPSA-N 2 0 267.417 1.533 10 0 CDAERP CC[C@H](F)C[NH2+]C/C=C\CNC(=O)C[NH+]1CCCC1 ZINC001568963965 1169565996 /nfs/dbraw/zinc/56/59/96/1169565996.db2.gz LQQHNJZLESOGPQ-SCOBNMCVSA-N 2 0 271.380 1.092 10 0 CDAERP CC/C=C/CC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001569426307 1169877693 /nfs/dbraw/zinc/87/76/93/1169877693.db2.gz MRJMDRCOWOZOTO-RGDDUWESSA-N 2 0 293.455 1.923 10 0 CDAERP CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001569854519 1170019516 /nfs/dbraw/zinc/01/95/16/1170019516.db2.gz CPRPNQOLJIBVOT-OLZOCXBDSA-N 2 0 255.406 1.031 10 0 CDAERP CCOCC[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001570197394 1170109911 /nfs/dbraw/zinc/10/99/11/1170109911.db2.gz GSPFSOBXGOIPKE-HUUCEWRRSA-N 2 0 299.459 1.143 10 0 CDAERP CCCC[C@@H](C[NH2+]CCF)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001570809838 1170284767 /nfs/dbraw/zinc/28/47/67/1170284767.db2.gz DOLCJUYRZSVBEV-HZSPNIEDSA-N 2 0 287.423 1.561 10 0 CDAERP CCCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001571192319 1170344583 /nfs/dbraw/zinc/34/45/83/1170344583.db2.gz JYLXVLCAZKEJCR-RBSFLKMASA-N 2 0 281.444 1.613 10 0 CDAERP CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001571322784 1170365098 /nfs/dbraw/zinc/36/50/98/1170365098.db2.gz WKMJZIYWQNFSKV-CHWSQXEVSA-N 2 0 257.422 1.467 10 0 CDAERP C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[NH2+]CCF ZINC001656447968 1171825553 /nfs/dbraw/zinc/82/55/53/1171825553.db2.gz KYEPKEXEFWLUFT-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)[NH2+][C@@H](CNC(=O)C[N@H+](C)C(C)C)C1CC1 ZINC001661193185 1172351201 /nfs/dbraw/zinc/35/12/01/1172351201.db2.gz SEEHBXHKKCSYFL-ZDUSSCGKSA-N 2 0 255.406 1.219 10 0 CDAERP CC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001661512199 1172399908 /nfs/dbraw/zinc/39/99/08/1172399908.db2.gz YPDMFBZXAHFCMO-IHRRRGAJSA-N 2 0 267.417 1.364 10 0 CDAERP CC[N@@H+]1CC[C@H]1C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001586547879 1172949806 /nfs/dbraw/zinc/94/98/06/1172949806.db2.gz WJAITWBBRHPEHW-KBPBESRZSA-N 2 0 265.401 1.025 10 0 CDAERP CCC[NH2+][C@@H](CC)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001665827990 1173068054 /nfs/dbraw/zinc/06/80/54/1173068054.db2.gz HCBHYXDMZOXWRZ-ZDUSSCGKSA-N 2 0 269.433 1.755 10 0 CDAERP CC(C)C[NH2+]C/C=C\CNC(=O)C[N@H+](C)C1CCC1 ZINC001668864798 1173473956 /nfs/dbraw/zinc/47/39/56/1173473956.db2.gz KAWBBJSCZROHAM-PLNGDYQASA-N 2 0 267.417 1.389 10 0 CDAERP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@H]1C[N@H+](C)CC1(C)C ZINC001597314955 1174268822 /nfs/dbraw/zinc/26/88/22/1174268822.db2.gz VSQXEQMKGFGDOM-NWDGAFQWSA-N 2 0 269.433 1.610 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@H]1CC ZINC001692021714 1175666653 /nfs/dbraw/zinc/66/66/53/1175666653.db2.gz CRVSAINBOQPJEP-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP CCC[N@H+](C)CC(=O)NCC1C[NH+](CCC(C)C)C1 ZINC001692346232 1175743730 /nfs/dbraw/zinc/74/37/30/1175743730.db2.gz ZFMPYPRIMRLLCC-UHFFFAOYSA-N 2 0 269.433 1.422 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCCOC ZINC001698861314 1175967263 /nfs/dbraw/zinc/96/72/63/1175967263.db2.gz OUXUBNYVTMRLEC-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP C[C@H](CC[NH2+]CCC1CC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001699088196 1176082532 /nfs/dbraw/zinc/08/25/32/1176082532.db2.gz NOVLEQOFBBNLLM-OCCSQVGLSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)CC[NH2+]C/C=C\Cl ZINC001699158600 1176112821 /nfs/dbraw/zinc/11/28/21/1176112821.db2.gz HARWAONRANLKMN-SMYYYNMVSA-N 2 0 275.824 1.564 10 0 CDAERP CC[C@H](F)C[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001699294975 1176202384 /nfs/dbraw/zinc/20/23/84/1176202384.db2.gz DMRSFSRZJFYXPX-JEFPTHFSSA-N 2 0 299.434 1.727 10 0 CDAERP CC(C)[C@@H](C(=O)NC/C=C/C[NH2+]CC1CC1)[NH+]1CCCC1 ZINC001699346378 1176285812 /nfs/dbraw/zinc/28/58/12/1176285812.db2.gz UEXQYMPUVYHMNR-CWDCEQMOSA-N 2 0 293.455 1.779 10 0 CDAERP C[C@H](C[NH2+]C/C=C/Cl)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001699375778 1176335612 /nfs/dbraw/zinc/33/56/12/1176335612.db2.gz LDNBWJPAWAVLSJ-IEZGYGFOSA-N 2 0 287.835 1.564 10 0 CDAERP CC[C@@H](C(=O)NC[C@H]1CC[N@@H+]1CCC(C)C)[NH+](C)C ZINC001699637139 1176535664 /nfs/dbraw/zinc/53/56/64/1176535664.db2.gz BWSUMLBCBYXQDN-KGLIPLIRSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)OCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001699736139 1176597049 /nfs/dbraw/zinc/59/70/49/1176597049.db2.gz HJQKBOIOWGCIDC-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP CCCCC[NH2+][C@H](C)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001700608342 1177034679 /nfs/dbraw/zinc/03/46/79/1177034679.db2.gz ARUYGPAUJJXQHA-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001700882364 1177176851 /nfs/dbraw/zinc/17/68/51/1177176851.db2.gz MUFZAZMZNMVRRE-CHWSQXEVSA-N 2 0 255.406 1.317 10 0 CDAERP CC(C)CC[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001713457811 1178577072 /nfs/dbraw/zinc/57/70/72/1178577072.db2.gz OIHNXPDLSVSRGZ-CQSZACIVSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@H+](C)CC1CC1 ZINC001713476827 1178592076 /nfs/dbraw/zinc/59/20/76/1178592076.db2.gz RAPGHWGLLFEZAR-STQMWFEESA-N 2 0 267.417 1.317 10 0 CDAERP CC[N@H+](C)CCC(=O)NC1C[NH+](CCC(C)(C)C)C1 ZINC001713849667 1178792988 /nfs/dbraw/zinc/79/29/88/1178792988.db2.gz JQXSXEKKQJRDBI-UHFFFAOYSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001714343834 1179096245 /nfs/dbraw/zinc/09/62/45/1179096245.db2.gz XLJDBAHRYWNGCE-HUUCEWRRSA-N 2 0 281.444 1.565 10 0 CDAERP CCCC[NH2+]C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001714345907 1179098477 /nfs/dbraw/zinc/09/84/77/1179098477.db2.gz GEGQJBBFMDDFTO-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[NH2+]C[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001714372816 1179109609 /nfs/dbraw/zinc/10/96/09/1179109609.db2.gz PQSIQAWQONJTBK-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001714444713 1179142411 /nfs/dbraw/zinc/14/24/11/1179142411.db2.gz ZACWEKLWWRMFSA-CQSZACIVSA-N 2 0 281.444 1.470 10 0 CDAERP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CCCF)CCCC2)CC[N@@H+]1C ZINC001714493061 1179169378 /nfs/dbraw/zinc/16/93/78/1179169378.db2.gz FYZUXLGHURYHNE-ZIAGYGMSSA-N 2 0 299.434 1.705 10 0 CDAERP CN(CC[NH2+]Cc1ccc(F)cc1)C(=O)CC[NH+](C)C ZINC001714754111 1179378071 /nfs/dbraw/zinc/37/80/71/1179378071.db2.gz YEPFZDSTQZIBMC-UHFFFAOYSA-N 2 0 281.375 1.325 10 0 CDAERP CC(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)C(C)C ZINC001714993096 1179496620 /nfs/dbraw/zinc/49/66/20/1179496620.db2.gz XESVJPWGKWMLNP-KBPBESRZSA-N 2 0 267.417 1.268 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)N(C)C(=O)CC[NH+](C)C ZINC001715358038 1179640947 /nfs/dbraw/zinc/64/09/47/1179640947.db2.gz UIQQBUUPXSJBAV-ZDUSSCGKSA-N 2 0 255.406 1.341 10 0 CDAERP CN(CC[N@H+](C)CCC1CC1)C(=O)CC[NH+](C)C ZINC001715528137 1179701920 /nfs/dbraw/zinc/70/19/20/1179701920.db2.gz DIAVIVQAKHWJMX-UHFFFAOYSA-N 2 0 255.406 1.128 10 0 CDAERP COCCCC[N@H+](C)CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001715531616 1179703624 /nfs/dbraw/zinc/70/36/24/1179703624.db2.gz TWSAZHQCPYHMMJ-UHFFFAOYSA-N 2 0 299.459 1.145 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N[C@H](C)CC[NH2+]CCF)CC1 ZINC001715701314 1179769517 /nfs/dbraw/zinc/76/95/17/1179769517.db2.gz OKHWTILMNSDVCH-CYBMUJFWSA-N 2 0 287.423 1.561 10 0 CDAERP CC(C)CC[NH2+]C/C=C\CNC(=O)C1([NH+](C)C)CCC1 ZINC001715823340 1179851296 /nfs/dbraw/zinc/85/12/96/1179851296.db2.gz FGZMWDOLEBBTQA-WAYWQWQTSA-N 2 0 281.444 1.779 10 0 CDAERP CC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001715830529 1179854283 /nfs/dbraw/zinc/85/42/83/1179854283.db2.gz BDLMJJOEDXTMLG-CTXXGXLOSA-N 2 0 265.401 1.285 10 0 CDAERP CCOCC[NH2+]C[C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001715998405 1179973830 /nfs/dbraw/zinc/97/38/30/1179973830.db2.gz KLGFDYGOOPQSKN-LSDHHAIUSA-N 2 0 299.459 1.382 10 0 CDAERP C[C@H](CC[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001716197421 1180093560 /nfs/dbraw/zinc/09/35/60/1180093560.db2.gz ZZBXBRDHABPUTN-ZIAGYGMSSA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)(C)CC[NH2+]C/C=C\CNC(=O)C12CC[NH+](CC1)C2 ZINC001716367891 1180170775 /nfs/dbraw/zinc/17/07/75/1180170775.db2.gz MLIOHHYQSVVLHZ-PLNGDYQASA-N 2 0 293.455 1.780 10 0 CDAERP CC(C)[NH2+]CCCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001716573240 1180289786 /nfs/dbraw/zinc/28/97/86/1180289786.db2.gz WHVZPNSJLOBIPL-GJZGRUSLSA-N 2 0 281.444 1.850 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001716732787 1180386421 /nfs/dbraw/zinc/38/64/21/1180386421.db2.gz XGWSIYBWSYTWBY-KRWDZBQOSA-N 2 0 293.455 1.829 10 0 CDAERP CC(C)[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]CCF)C1)[NH+](C)C ZINC001716866358 1180446782 /nfs/dbraw/zinc/44/67/82/1180446782.db2.gz AJKQRFSCMTWQDK-ZFWWWQNUSA-N 2 0 287.423 1.370 10 0 CDAERP CCCC[NH2+]C[C@@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001716873570 1180449379 /nfs/dbraw/zinc/44/93/79/1180449379.db2.gz VSZGRTSCQLSCEA-OAHLLOKOSA-N 2 0 269.433 1.566 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](CC[NH2+]CC3CC3)C2)C1 ZINC001717098819 1180530463 /nfs/dbraw/zinc/53/04/63/1180530463.db2.gz IUGGDOOVUZWSDB-ZBFHGGJFSA-N 2 0 293.455 1.566 10 0 CDAERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]CCOC1CCC1 ZINC001717442033 1180675089 /nfs/dbraw/zinc/67/50/89/1180675089.db2.gz PWCHZBVHQDNAEV-UONOGXRCSA-N 2 0 297.443 1.134 10 0 CDAERP CCCCC[NH+]1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001723796908 1181604233 /nfs/dbraw/zinc/60/42/33/1181604233.db2.gz VGBSGAXDURKTNG-UHFFFAOYSA-N 2 0 281.444 1.661 10 0 CDAERP CCOCC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)[C@@H](C)C1 ZINC001723878910 1181613941 /nfs/dbraw/zinc/61/39/41/1181613941.db2.gz YKQFHORRHYUUJR-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001723981777 1181627307 /nfs/dbraw/zinc/62/73/07/1181627307.db2.gz NVILRPWBSYKYQO-LSDHHAIUSA-N 2 0 281.444 1.851 10 0 CDAERP CC(C)CC[NH2+]C[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001723968581 1181627359 /nfs/dbraw/zinc/62/73/59/1181627359.db2.gz AFJWGFLVPZRKKL-INIZCTEOSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001724654080 1181716948 /nfs/dbraw/zinc/71/69/48/1181716948.db2.gz IXZLTINYKCFFHX-UONOGXRCSA-N 2 0 267.417 1.413 10 0 CDAERP CC(C)=CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1 ZINC001724787049 1181755073 /nfs/dbraw/zinc/75/50/73/1181755073.db2.gz UZNANDJEENKAPG-HUUCEWRRSA-N 2 0 293.455 1.921 10 0 CDAERP C[NH+]1CCC(C(=O)NC2CC(C[NH2+]C/C=C\Cl)C2)CC1 ZINC001725071632 1181845637 /nfs/dbraw/zinc/84/56/37/1181845637.db2.gz WMMZHUQQWWLSTD-DJWKRKHSSA-N 2 0 299.846 1.565 10 0 CDAERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@H](C)[NH2+]CCCF ZINC001725125933 1181875237 /nfs/dbraw/zinc/87/52/37/1181875237.db2.gz DBNRAAIFEJJGLZ-QWHCGFSZSA-N 2 0 287.423 1.703 10 0 CDAERP CC(C)[NH2+]C[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001725363991 1181975204 /nfs/dbraw/zinc/97/52/04/1181975204.db2.gz JOGLUPIZGFUKCL-JOCQHMNTSA-N 2 0 255.406 1.221 10 0 CDAERP CC(C)[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001725491581 1182022494 /nfs/dbraw/zinc/02/24/94/1182022494.db2.gz SDXPEPJAOTYMBK-YNEHKIRRSA-N 2 0 255.406 1.172 10 0 CDAERP CC(C)C[N@H+]1CC=C(CNC(=O)CCC[NH+](C)C)CC1 ZINC001725855747 1182146759 /nfs/dbraw/zinc/14/67/59/1182146759.db2.gz FDQPMXNXLVVTJK-UHFFFAOYSA-N 2 0 281.444 1.733 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NC[C@@H]([NH2+]CCCF)C2CC2)CC[N@@H+]1C ZINC001731403652 1182363015 /nfs/dbraw/zinc/36/30/15/1182363015.db2.gz WDKVOULEDLRTNS-AEGPPILISA-N 2 0 299.434 1.561 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@H](C[NH2+]CC2CCC2)C1 ZINC001731669771 1182510840 /nfs/dbraw/zinc/51/08/40/1182510840.db2.gz VTFUSMONESZKJL-CQSZACIVSA-N 2 0 267.417 1.176 10 0 CDAERP CC[C@@H](F)C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001731911916 1182674982 /nfs/dbraw/zinc/67/49/82/1182674982.db2.gz ZKINAFPNTARASP-JHJVBQTASA-N 2 0 273.396 1.123 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N(C)CC[NH2+]CCC2CC2)CC[N@@H+]1C ZINC001731943150 1182691658 /nfs/dbraw/zinc/69/16/58/1182691658.db2.gz CEPYBEGLQAITIA-ZFWWWQNUSA-N 2 0 281.444 1.565 10 0 CDAERP CCC[N@H+](CCCNC(=O)C[NH+]1CC[C@@H](C)C1)C(C)C ZINC001732012853 1182726244 /nfs/dbraw/zinc/72/62/44/1182726244.db2.gz QTWZQWPMGFLLMX-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CCCC[N@H+](C)CCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001732594246 1183037542 /nfs/dbraw/zinc/03/75/42/1183037542.db2.gz HMFVJVATPFFTFX-CQSZACIVSA-N 2 0 269.433 1.519 10 0 CDAERP C[C@H](CC[NH2+]CC1CC1)NC(=O)CC[NH+]1CCCCC1 ZINC001732753243 1183108435 /nfs/dbraw/zinc/10/84/35/1183108435.db2.gz CXNXSJSAYLUOKI-CQSZACIVSA-N 2 0 281.444 1.757 10 0 CDAERP CC(C)C[NH2+]CC[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001732752599 1183108887 /nfs/dbraw/zinc/10/88/87/1183108887.db2.gz GUWKHZHUSXABTN-CYBMUJFWSA-N 2 0 255.406 1.223 10 0 CDAERP O=C(NC/C=C\C[NH2+]CC1CC1)C12CCC[NH+](CCC1)C2 ZINC001732866307 1183163903 /nfs/dbraw/zinc/16/39/03/1183163903.db2.gz SJOSIAVBROXQGV-UPHRSURJSA-N 2 0 291.439 1.534 10 0 CDAERP CCC[NH2+]C/C=C\CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001732907915 1183179183 /nfs/dbraw/zinc/17/91/83/1183179183.db2.gz FZUABOXAWGUBDN-IDTUSYRASA-N 2 0 281.444 1.923 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]CCC2CC2)CC[N@@H+]1C ZINC001732955185 1183203345 /nfs/dbraw/zinc/20/33/45/1183203345.db2.gz DEONPCSYURPKDH-VHDGCEQUSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH2+]CCC(F)(F)F ZINC001732982833 1183217555 /nfs/dbraw/zinc/21/75/55/1183217555.db2.gz CRXMFRSNDRHSMB-SNVBAGLBSA-N 2 0 283.338 1.373 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH2+]C(C)C)CC[N@@H+]1C ZINC001733101222 1183291079 /nfs/dbraw/zinc/29/10/79/1183291079.db2.gz HLXLCORRXSFOJG-UONOGXRCSA-N 2 0 269.433 1.563 10 0 CDAERP CCCCC[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001733143099 1183305664 /nfs/dbraw/zinc/30/56/64/1183305664.db2.gz BYORENCCHOQMFE-CQSZACIVSA-N 2 0 269.433 1.566 10 0 CDAERP C[C@@H](Cc1c[nH]cn1)C(=O)NCC1([NH2+]CCCF)CC1 ZINC001733260883 1183375072 /nfs/dbraw/zinc/37/50/72/1183375072.db2.gz VQYUQNSHGRNUEG-NSHDSACASA-N 2 0 282.363 1.186 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H](CC[NH2+]CC)C2)C1 ZINC001733661620 1183491619 /nfs/dbraw/zinc/49/16/19/1183491619.db2.gz RNOAWYJFFASSIP-CVEARBPZSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)C[NH2+]C1(CNC(=O)CC[NH+](C)C)CCC1 ZINC001733722784 1183508666 /nfs/dbraw/zinc/50/86/66/1183508666.db2.gz IRYGISBZQQHGSP-UHFFFAOYSA-N 2 0 255.406 1.223 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001734323897 1183730978 /nfs/dbraw/zinc/73/09/78/1183730978.db2.gz SNIAPXQXUNVRCM-ZBFHGGJFSA-N 2 0 293.455 1.731 10 0 CDAERP C[C@@H]1[C@H]([NH2+]CCCF)CCN1C(=O)CCC[NH+](C)C ZINC001734399939 1183762895 /nfs/dbraw/zinc/76/28/95/1183762895.db2.gz QBVXPZDKOLCGSQ-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP CCCC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C ZINC001734501803 1183802009 /nfs/dbraw/zinc/80/20/09/1183802009.db2.gz VCEOKTLAMWNUSL-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP CC[N@H+](C)CCC(=O)NCC1=CC[NH+](CC)CC1 ZINC001734634529 1183855550 /nfs/dbraw/zinc/85/55/50/1183855550.db2.gz BTPVTNCGTKUTPM-UHFFFAOYSA-N 2 0 253.390 1.096 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC[NH2+]C(C)(C)C)C1 ZINC001638371920 1166841980 /nfs/dbraw/zinc/84/19/80/1166841980.db2.gz LJLXSJVMTVEDTJ-OLZOCXBDSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)CC[NH2+]CCC(F)(F)F)[NH+](C)C ZINC001317598860 1167460016 /nfs/dbraw/zinc/46/00/16/1167460016.db2.gz TXHKFIAHGBKBST-NSHDSACASA-N 2 0 297.365 1.573 10 0 CDAERP COCCC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001570671343 1167581236 /nfs/dbraw/zinc/58/12/36/1167581236.db2.gz QVMADTYPGTYBQL-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP O=C(N[C@H]1C[C@H]([NH2+]CCCF)C1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001566794332 1168036571 /nfs/dbraw/zinc/03/65/71/1168036571.db2.gz ABCHKLGNUXDGON-AJNGGQMLSA-N 2 0 297.418 1.600 10 0 CDAERP O=C(CCCC[NH+]1CCCC1)N1CC[C@H](C[NH2+]CCF)C1 ZINC001567154837 1168046888 /nfs/dbraw/zinc/04/68/88/1168046888.db2.gz JZDWXLDTXIYZPG-OAHLLOKOSA-N 2 0 299.434 1.660 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCCF)C2)CC[N@@H+]1C ZINC001565843040 1168182473 /nfs/dbraw/zinc/18/24/73/1168182473.db2.gz BRTMMSGPJXEOLC-LJISPDSOSA-N 2 0 299.434 1.561 10 0 CDAERP CC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1C ZINC001566093089 1168234973 /nfs/dbraw/zinc/23/49/73/1168234973.db2.gz VJUJVLABXBUVNY-NEPJUHHUSA-N 2 0 253.390 1.070 10 0 CDAERP CCC[N@H+](C)CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001566518546 1168317139 /nfs/dbraw/zinc/31/71/39/1168317139.db2.gz HFRBFPFGXLKGNQ-KBPBESRZSA-N 2 0 269.433 1.707 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001483662249 912410407 /nfs/dbraw/zinc/41/04/07/912410407.db2.gz JJJMGKPHZUQZTL-OAHLLOKOSA-N 2 0 293.455 1.996 10 0 CDAERP C[N@H+](CC1CCOCC1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699284109 913677844 /nfs/dbraw/zinc/67/78/44/913677844.db2.gz XSMHUKQQNYPLOH-GOOCMWNKSA-N 2 0 252.402 1.875 10 0 CDAERP COCCC[NH2+][C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001266531765 895248215 /nfs/dbraw/zinc/24/82/15/895248215.db2.gz FVICQNBZGVRRIY-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001266620519 895608843 /nfs/dbraw/zinc/60/88/43/895608843.db2.gz ZYVXQJOYUSFSJV-IHRRRGAJSA-N 2 0 267.417 1.365 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC001283341312 896521050 /nfs/dbraw/zinc/52/10/50/896521050.db2.gz XYVLMGBKVCLXDR-UHFFFAOYSA-N 2 0 299.459 1.024 10 0 CDAERP CC[C@@H](C(=O)N(C)CC[NH2+]Cc1oc(C)nc1C)[NH+](C)C ZINC001567561337 1168858406 /nfs/dbraw/zinc/85/84/06/1168858406.db2.gz KJECANPKVCELPD-ZDUSSCGKSA-N 2 0 296.415 1.180 10 0 CDAERP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@@H+](CC[C@H](C)F)C1 ZINC001481125093 898937740 /nfs/dbraw/zinc/93/77/40/898937740.db2.gz BAWSGPGFGIJMQY-UONOGXRCSA-N 2 0 287.423 1.513 10 0 CDAERP CC/C=C\CC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001267679614 899261435 /nfs/dbraw/zinc/26/14/35/899261435.db2.gz SYSVFAABYPGXKT-XVWMLYKFSA-N 2 0 279.428 1.485 10 0 CDAERP CCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267768020 899649229 /nfs/dbraw/zinc/64/92/29/899649229.db2.gz RVVLWOJQOHJIDT-UONOGXRCSA-N 2 0 269.433 1.659 10 0 CDAERP CCC[NH2+]C[C@@](C)(NC(=O)CC[NH+](C)C)C1CC1 ZINC001267858480 899884827 /nfs/dbraw/zinc/88/48/27/899884827.db2.gz RFBPZBOLEUZFQA-CQSZACIVSA-N 2 0 255.406 1.223 10 0 CDAERP CC(C)CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001267864641 899901089 /nfs/dbraw/zinc/90/10/89/899901089.db2.gz HZNYBJJQLOFONE-RHSMWYFYSA-N 2 0 295.471 1.859 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)CC[NH2+]Cc1oc(C)nc1C ZINC001481297527 900229835 /nfs/dbraw/zinc/22/98/35/900229835.db2.gz PYLNIGUARXPQRA-UHFFFAOYSA-N 2 0 296.415 1.181 10 0 CDAERP CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CC[N@H+](C)CC ZINC001268197393 901552635 /nfs/dbraw/zinc/55/26/35/901552635.db2.gz XOWSKKXGSBPVRA-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CCCCCC[NH+]1CC(CNC(=O)Cc2[nH]cnc2C)C1 ZINC001481656809 901727862 /nfs/dbraw/zinc/72/78/62/901727862.db2.gz AHTMBYYWIOSSEA-UHFFFAOYSA-N 2 0 292.427 1.889 10 0 CDAERP CC[C@@H](CNC(=O)CCn1ccnc1)[NH2+]CC1CCCC1 ZINC001481837576 902204367 /nfs/dbraw/zinc/20/43/67/902204367.db2.gz NSOQUZKAGPUVNF-HNNXBMFYSA-N 2 0 292.427 1.948 10 0 CDAERP CCCC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268543012 902537223 /nfs/dbraw/zinc/53/72/23/902537223.db2.gz UFKAODOPRWTEOQ-YOIVVXPQSA-N 2 0 267.417 1.389 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+]CC2CCCC2)C1 ZINC001268626623 902835310 /nfs/dbraw/zinc/83/53/10/902835310.db2.gz QGORQQOUBBACLJ-XVWMLYKFSA-N 2 0 279.428 1.390 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]CC[C@H]1CCCO1)[NH+](C)C ZINC001268648942 902890726 /nfs/dbraw/zinc/89/07/26/902890726.db2.gz CJUMXHHYSODIGS-KFWWJZLASA-N 2 0 299.459 1.236 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC001361981737 903085654 /nfs/dbraw/zinc/08/56/54/903085654.db2.gz WFJUDNSDSJVSII-GJZGRUSLSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)OCC[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268792664 903134710 /nfs/dbraw/zinc/13/47/10/903134710.db2.gz AGIMWUVMCDIYOG-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001269535772 903903500 /nfs/dbraw/zinc/90/35/00/903903500.db2.gz ZKVXAEDMZFDJHS-ZDUSSCGKSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@@](C)(C[NH2+]CCF)C2CC2)C1 ZINC001269634016 903997943 /nfs/dbraw/zinc/99/79/43/903997943.db2.gz JAZHAWSEFKUXPH-DOMZBBRYSA-N 2 0 285.407 1.172 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]2C[NH2+]CCF)CC[N@@H+]1C ZINC001270121972 904379165 /nfs/dbraw/zinc/37/91/65/904379165.db2.gz RRVKPTGFCNKYFO-IHRRRGAJSA-N 2 0 285.407 1.267 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001482283487 904570756 /nfs/dbraw/zinc/57/07/56/904570756.db2.gz NGKLZRSNMUXFHS-GDBMZVCRSA-N 2 0 293.455 1.731 10 0 CDAERP CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]CCC(F)(F)F)[NH+](C)C ZINC001270517310 904693891 /nfs/dbraw/zinc/69/38/91/904693891.db2.gz NUALPQFMBVYVQK-QWRGUYRKSA-N 2 0 297.365 1.621 10 0 CDAERP C[C@@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)C[NH2+]CCF ZINC001270558184 904727431 /nfs/dbraw/zinc/72/74/31/904727431.db2.gz BHKAHEXNQUGKLI-CYBMUJFWSA-N 2 0 299.434 1.420 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CCCF)C1 ZINC001270778913 905034955 /nfs/dbraw/zinc/03/49/55/905034955.db2.gz JTFYXCNYVQBYPM-GOEBONIOSA-N 2 0 299.434 1.659 10 0 CDAERP CCCC[NH2+]C[C@@]1(C)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001270846299 905135561 /nfs/dbraw/zinc/13/55/61/905135561.db2.gz DBVNGXYUTGZARL-MRXNPFEDSA-N 2 0 281.444 1.711 10 0 CDAERP CC(C)CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001270922792 905451309 /nfs/dbraw/zinc/45/13/09/905451309.db2.gz XABAPOAPWDIMNJ-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP C[NH+](C)CCC(=O)N1CCCC[C@@H]1CC[NH2+]CCF ZINC001482453550 905614424 /nfs/dbraw/zinc/61/44/24/905614424.db2.gz BTLFBSHNLQZCJE-CYBMUJFWSA-N 2 0 273.396 1.268 10 0 CDAERP CC[NH2+]CC[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001482458326 905668221 /nfs/dbraw/zinc/66/82/21/905668221.db2.gz DILYPZLGISANOL-CQSZACIVSA-N 2 0 279.428 1.463 10 0 CDAERP CN(C/C=C\Cl)CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482642736 908109221 /nfs/dbraw/zinc/10/92/21/908109221.db2.gz RNUKPOUSAYJHLU-AGLBCWCQSA-N 2 0 287.835 1.471 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1coc(C)n1)[NH+](C)C ZINC001482874077 908452737 /nfs/dbraw/zinc/45/27/37/908452737.db2.gz GLRZXEQSFLXMQT-FZMZJTMJSA-N 2 0 296.415 1.308 10 0 CDAERP C[N@H+](CC(=O)NC/C=C/C[NH2+]C/C=C/Cl)C1CCC1 ZINC001483019221 908696599 /nfs/dbraw/zinc/69/65/99/908696599.db2.gz WTEJCYQZXNXVDW-YNRRLODASA-N 2 0 285.819 1.485 10 0 CDAERP CC(C)(C(=O)NC/C=C\C[NH2+]C/C=C/Cl)[NH+]1CCCC1 ZINC001483042131 908808431 /nfs/dbraw/zinc/80/84/31/908808431.db2.gz DYSLHBZXUGASLC-ODYTWBPASA-N 2 0 299.846 1.875 10 0 CDAERP CC[NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001483042549 908810612 /nfs/dbraw/zinc/81/06/12/908810612.db2.gz NAOKKGMJGHZFMX-AATRIKPKSA-N 2 0 253.390 1.143 10 0 CDAERP CC(C)[NH2+]C/C=C\CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001483097348 909337262 /nfs/dbraw/zinc/33/72/62/909337262.db2.gz JLVGPKHEFRSUAD-HLMASZERSA-N 2 0 267.417 1.530 10 0 CDAERP C[C@H](C[NH2+]CC1CCC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001483160864 909884223 /nfs/dbraw/zinc/88/42/23/909884223.db2.gz MNFSDHVRKQCUHW-IPYPFGDCSA-N 2 0 281.444 1.611 10 0 CDAERP CC/C=C/CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001483192832 909949523 /nfs/dbraw/zinc/94/95/23/909949523.db2.gz HDPQRSXAMLVRDS-IHDARNGBSA-N 2 0 267.417 1.389 10 0 CDAERP Cc1ccccc1C[NH2+][C@@H](C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001409414997 910383599 /nfs/dbraw/zinc/38/35/99/910383599.db2.gz QIIMOPBMQRVVTM-GJZGRUSLSA-N 2 0 291.439 1.930 10 0 CDAERP C[C@@H](C[NH2+]CC1CCC1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001483241416 910719324 /nfs/dbraw/zinc/71/93/24/910719324.db2.gz WZSYTIKDQDKDDI-GXTWGEPZSA-N 2 0 267.417 1.365 10 0 CDAERP CC[C@@H](F)C[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001507090651 910736116 /nfs/dbraw/zinc/73/61/16/910736116.db2.gz RIVKWPMTOSIFET-QWHCGFSZSA-N 2 0 287.423 1.655 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+]Cc1cnc(C)s1 ZINC001483281352 910782847 /nfs/dbraw/zinc/78/28/47/910782847.db2.gz YBKDBXYIGRNVNA-NSHDSACASA-N 2 0 298.456 1.388 10 0 CDAERP COCC[NH2+][C@@H](C)CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001507129541 910787954 /nfs/dbraw/zinc/78/79/54/910787954.db2.gz JJIDRTQMOFXELT-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001483379770 911022083 /nfs/dbraw/zinc/02/20/83/911022083.db2.gz ZPTGXQBLDNMQGA-AWEZNQCLSA-N 2 0 269.433 1.731 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001483597728 911310286 /nfs/dbraw/zinc/31/02/86/911310286.db2.gz BXRGHYVZWYZRFZ-GDBMZVCRSA-N 2 0 295.471 1.859 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001484688762 916045028 /nfs/dbraw/zinc/04/50/28/916045028.db2.gz ZTYBVHNYSDKLAE-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CCC2CC2)CC1 ZINC001484724047 916083799 /nfs/dbraw/zinc/08/37/99/916083799.db2.gz SUYADFAGRNEJEM-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CC1([NH2+]CCF)CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001484928071 916272713 /nfs/dbraw/zinc/27/27/13/916272713.db2.gz FPUFSQRBEOKFEG-UHFFFAOYSA-N 2 0 299.434 1.803 10 0 CDAERP CC[NH2+]CC1CC(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001485109749 916535930 /nfs/dbraw/zinc/53/59/30/916535930.db2.gz GRSBDGWSACEFCC-UHFFFAOYSA-N 2 0 281.444 1.757 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CC1CC1 ZINC001485388989 916941835 /nfs/dbraw/zinc/94/18/35/916941835.db2.gz PUOFYPAVINBPJZ-UKRRQHHQSA-N 2 0 281.444 1.707 10 0 CDAERP CCC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001494016055 917144899 /nfs/dbraw/zinc/14/48/99/917144899.db2.gz AUPMGDOQOFHAJO-HRCADAONSA-N 2 0 295.471 1.955 10 0 CDAERP CC[NH2+]C[C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001485687139 917184613 /nfs/dbraw/zinc/18/46/13/917184613.db2.gz USEHHGRLKVLDKS-IHRRRGAJSA-N 2 0 267.417 1.365 10 0 CDAERP CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001485929693 920598855 /nfs/dbraw/zinc/59/88/55/920598855.db2.gz CGICXIOJLBGNBE-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CCCF)[NH+](C)C ZINC001485946373 920610319 /nfs/dbraw/zinc/61/03/19/920610319.db2.gz CMSMXWXTYLOMRJ-CHWSQXEVSA-N 2 0 275.412 1.369 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CC(C)C ZINC001485960728 920628850 /nfs/dbraw/zinc/62/88/50/920628850.db2.gz KYEGBSWFQTUKJV-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)[C@@H]1C ZINC001486093061 920691775 /nfs/dbraw/zinc/69/17/75/920691775.db2.gz JVSLOIQPIQEZLU-KGLIPLIRSA-N 2 0 269.433 1.707 10 0 CDAERP CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001568338992 1169254772 /nfs/dbraw/zinc/25/47/72/1169254772.db2.gz LHQHDIVNOQNZBH-KBPBESRZSA-N 2 0 269.433 1.469 10 0 CDAERP COC[C@H](O)C[N@@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000923420087 923825879 /nfs/dbraw/zinc/82/58/79/923825879.db2.gz FQCJDXIIUDHFAF-NUEKZKHPSA-N 2 0 284.444 1.613 10 0 CDAERP COC(=O)c1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)s1 ZINC000923495245 923873281 /nfs/dbraw/zinc/87/32/81/923873281.db2.gz AQPRSKSENQFOBL-MNOVXSKESA-N 2 0 282.409 1.951 10 0 CDAERP Cc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001491413074 936911038 /nfs/dbraw/zinc/91/10/38/936911038.db2.gz AAHJDGNGZFLZLS-HOCLYGCPSA-N 2 0 289.423 1.684 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[NH+]([C@H](C)COC)CC1(C)C ZINC001410031847 924344766 /nfs/dbraw/zinc/34/47/66/924344766.db2.gz YECVTILPJREPFI-KGLIPLIRSA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1C[C@@H](C[NH2+]C[C@@H](F)CC)C1)[NH+](C)C ZINC001410230642 925431632 /nfs/dbraw/zinc/43/16/32/925431632.db2.gz VZTMYZBRACLYBK-XDQVBPFNSA-N 2 0 287.423 1.559 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)CN1C(=O)CC[NH+](C)C ZINC001410841582 926656492 /nfs/dbraw/zinc/65/64/92/926656492.db2.gz BYHBRYWCXHMOSU-HIFRSBDPSA-N 2 0 295.471 1.953 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001488873293 926746179 /nfs/dbraw/zinc/74/61/79/926746179.db2.gz SWLROTDGQOSHHU-KKUMJFAQSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)OCC[NH+]1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001490417116 927170099 /nfs/dbraw/zinc/17/00/99/927170099.db2.gz ZHIMCLQUPZPSCN-UHFFFAOYSA-N 2 0 299.459 1.286 10 0 CDAERP c1c(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)sc2c1C[NH2+]CC2 ZINC000690350826 927790395 /nfs/dbraw/zinc/79/03/95/927790395.db2.gz YBHUFDNMTHJSPI-YPMHNXCESA-N 2 0 278.421 1.862 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)NC2CC[NH+](C)CC2)C1 ZINC001135652640 930327356 /nfs/dbraw/zinc/32/73/56/930327356.db2.gz JQUGYNMCMFMFJF-JSGCOSHPSA-N 2 0 267.417 1.317 10 0 CDAERP CC(C)C[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001318876006 931128616 /nfs/dbraw/zinc/12/86/16/931128616.db2.gz ZRMCQSSUVNABJB-INIZCTEOSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001274644433 931529804 /nfs/dbraw/zinc/52/98/04/931529804.db2.gz QJNHEQWUDJEWAI-STQMWFEESA-N 2 0 255.406 1.317 10 0 CDAERP CCC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001279172990 931620545 /nfs/dbraw/zinc/62/05/45/931620545.db2.gz XKXCSORTQNBLIF-CVEARBPZSA-N 2 0 295.471 1.812 10 0 CDAERP CC(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001275482794 931824096 /nfs/dbraw/zinc/82/40/96/931824096.db2.gz VZOUTNDQAGVTJL-CHWSQXEVSA-N 2 0 269.433 1.467 10 0 CDAERP O=C1OCCN1CCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000690439778 931856042 /nfs/dbraw/zinc/85/60/42/931856042.db2.gz LIWMHJVPUOKKAX-CHWSQXEVSA-N 2 0 267.373 1.045 10 0 CDAERP CCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001275844315 932088381 /nfs/dbraw/zinc/08/83/81/932088381.db2.gz LTVVZSNEODPPNQ-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC001411901303 932133337 /nfs/dbraw/zinc/13/33/37/932133337.db2.gz MOZNFVNIEUNTDW-ILXRZTDVSA-N 2 0 281.444 1.517 10 0 CDAERP O=C(CC[N@H+]1CC[C@H](F)C1)NC1CC[NH+](C2CC2)CC1 ZINC001412385865 932403686 /nfs/dbraw/zinc/40/36/86/932403686.db2.gz QZRMILUAXWLANG-LBPRGKRZSA-N 2 0 283.391 1.163 10 0 CDAERP C[C@@H]1CC[N@H+](CCNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001412593821 932538984 /nfs/dbraw/zinc/53/89/84/932538984.db2.gz KJZPJFVWEOJMCQ-ILXRZTDVSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)(C)[C@H](O)C[C@H](CO)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925666603 932924249 /nfs/dbraw/zinc/92/42/49/932924249.db2.gz NDQSGRJUXGKRKS-FVCCEPFGSA-N 2 0 270.417 1.004 10 0 CDAERP COC[C@@H](CC[NH2+][C@@H]1CC[NH2+]C12CCCC2)OC ZINC000925714047 932931123 /nfs/dbraw/zinc/93/11/23/932931123.db2.gz NDWPHDXAWAAKCA-CHWSQXEVSA-N 2 0 256.390 1.302 10 0 CDAERP COC(CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)OC ZINC000686609543 934179987 /nfs/dbraw/zinc/17/99/87/934179987.db2.gz NVRGRDJQJRBTBQ-STQMWFEESA-N 2 0 256.390 1.412 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC001412895013 935078942 /nfs/dbraw/zinc/07/89/42/935078942.db2.gz UECZFEAUXNBTJB-AWEZNQCLSA-N 2 0 283.460 1.812 10 0 CDAERP C[C@H](C(=O)N[C@@H](C)CC[NH2+]CCCO)[NH+]1CCCCCC1 ZINC001568685211 1169431094 /nfs/dbraw/zinc/43/10/94/1169431094.db2.gz SCKRYLXAEIXBTQ-LSDHHAIUSA-N 2 0 299.459 1.118 10 0 CDAERP [NH3+][C@H]1C[C@@H]([NH2+][C@H](CO)Cc2ccccc2)C12CCC2 ZINC000405245746 940975647 /nfs/dbraw/zinc/97/56/47/940975647.db2.gz ZUUFTLNEHCCVDM-SOUVJXGZSA-N 2 0 260.381 1.450 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C/C=C/Cl)C1 ZINC001277027257 941832348 /nfs/dbraw/zinc/83/23/48/941832348.db2.gz PWXZBLRKIUJRAZ-YICHIWNISA-N 2 0 285.819 1.318 10 0 CDAERP CC(C)[C@@H](O)C[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001473792627 970850109 /nfs/dbraw/zinc/85/01/09/970850109.db2.gz JNKXMZCEIRQYNL-HNNXBMFYSA-N 2 0 270.417 1.236 10 0 CDAERP CC[C@H](F)C[NH2+]CC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001280187751 942422979 /nfs/dbraw/zinc/42/29/79/942422979.db2.gz ZCTRUQPANGQJDA-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP [NH3+][C@H]1CCCC[C@@H]1C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC001332451941 942425864 /nfs/dbraw/zinc/42/58/64/942425864.db2.gz LQDSGMAVSBLRDK-STQMWFEESA-N 2 0 265.401 1.106 10 0 CDAERP CC(C)CC[NH2+]CC1CC(NC(=O)CC[NH+](C)C)C1 ZINC001282052587 942650223 /nfs/dbraw/zinc/65/02/23/942650223.db2.gz HABPNWNYINMKNO-UHFFFAOYSA-N 2 0 269.433 1.469 10 0 CDAERP CCOCCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001283631396 942952611 /nfs/dbraw/zinc/95/26/11/942952611.db2.gz KBJBHTIFWYDIMS-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001263808631 943980105 /nfs/dbraw/zinc/98/01/05/943980105.db2.gz BKRAZYZAHKGJQU-CQSZACIVSA-N 2 0 269.433 1.661 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001263828005 943991682 /nfs/dbraw/zinc/99/16/82/943991682.db2.gz WNWFOEJMBMNFEB-MJBXVCDLSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)[N@H+](C)CCOCCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001264107505 944078737 /nfs/dbraw/zinc/07/87/37/944078737.db2.gz VIYSKIFYJBVOIW-OAHLLOKOSA-N 2 0 299.459 1.286 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001277933123 944104789 /nfs/dbraw/zinc/10/47/89/944104789.db2.gz ULJCMXLHLBJAQZ-AWEZNQCLSA-N 2 0 267.417 1.319 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001264428035 944134457 /nfs/dbraw/zinc/13/44/57/944134457.db2.gz JTHWQGXJZDVRAD-RBSFLKMASA-N 2 0 281.444 1.755 10 0 CDAERP CCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H]1C ZINC001264731329 944171204 /nfs/dbraw/zinc/17/12/04/944171204.db2.gz KBZREMBGPNYDCK-ILXRZTDVSA-N 2 0 281.444 1.707 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@@]12CC[NH+](C1)CCC2)CC1CC1 ZINC001265143446 944247516 /nfs/dbraw/zinc/24/75/16/944247516.db2.gz ILDGQNMWPJXHAJ-KRWDZBQOSA-N 2 0 293.455 1.711 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C2([NH+](C)C)CCCC2)C1 ZINC001362249691 971071478 /nfs/dbraw/zinc/07/14/78/971071478.db2.gz MOBAOYKUNDTHTK-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001265430820 944386457 /nfs/dbraw/zinc/38/64/57/944386457.db2.gz KCCMZAMALYVNSE-SOUVJXGZSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001265923038 944574320 /nfs/dbraw/zinc/57/43/20/944574320.db2.gz MHZDSWWIQNOHTH-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001265931016 944578271 /nfs/dbraw/zinc/57/82/71/944578271.db2.gz SQZCHPKVBQGSJM-KGLIPLIRSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@H](CCNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH2+]CCCF ZINC001266184051 944739239 /nfs/dbraw/zinc/73/92/39/944739239.db2.gz BAEWZIHFJBRMAL-HIFRSBDPSA-N 2 0 285.407 1.316 10 0 CDAERP CC(C)CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001480635264 971169643 /nfs/dbraw/zinc/16/96/43/971169643.db2.gz CXTMEWUQBWAMBZ-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP [NH3+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC001261493388 946141565 /nfs/dbraw/zinc/14/15/65/946141565.db2.gz YPAPQLCVNRWSLB-YNEHKIRRSA-N 2 0 253.390 1.091 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001479241548 971271049 /nfs/dbraw/zinc/27/10/49/971271049.db2.gz DGDOREMXLYDRPN-CQSZACIVSA-N 2 0 269.433 1.517 10 0 CDAERP CCCCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001278806299 947601127 /nfs/dbraw/zinc/60/11/27/947601127.db2.gz YFVNKFPRXPYXJQ-GOEBONIOSA-N 2 0 299.459 1.070 10 0 CDAERP COCC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)(C)C ZINC001278961834 948410975 /nfs/dbraw/zinc/41/09/75/948410975.db2.gz GFQNNTSLNAMOBD-MGPQQGTHSA-N 2 0 299.459 1.094 10 0 CDAERP C[NH+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCF ZINC001480183239 971615996 /nfs/dbraw/zinc/61/59/96/971615996.db2.gz ZKFHICTZOQAVQF-YHWZYXNKSA-N 2 0 271.380 1.019 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]CCC2CC2)CC[N@@H+]1C ZINC001569058427 1169622244 /nfs/dbraw/zinc/62/22/44/1169622244.db2.gz DEONPCSYURPKDH-AEGPPILISA-N 2 0 281.444 1.611 10 0 CDAERP CC[NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001480215948 971632060 /nfs/dbraw/zinc/63/20/60/971632060.db2.gz MZKZGEYSFWHDMV-OKILXGFUSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@H](C(=O)N1CC[C@@](C)(C[NH2+]CCCF)C1)[NH+](C)C ZINC001278572892 950215530 /nfs/dbraw/zinc/21/55/30/950215530.db2.gz RDACZYYOACJDTD-HIFRSBDPSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001480276010 971655829 /nfs/dbraw/zinc/65/58/29/971655829.db2.gz IGDXJHKWKFLGDW-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[C@@H]3C[C@H](C)C[NH+]3C2)C1 ZINC001363590471 953504515 /nfs/dbraw/zinc/50/45/15/953504515.db2.gz DSRRMNLVFZYZEE-XUWVNRHRSA-N 2 0 293.455 1.707 10 0 CDAERP CCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[NH+](C)CC1(C)C ZINC001363637038 953581864 /nfs/dbraw/zinc/58/18/64/953581864.db2.gz YVASAMIYWYGJBD-KGLIPLIRSA-N 2 0 281.444 1.707 10 0 CDAERP CC[NH+](CC)CCC[N@H+]1C[C@@]2(CO)CCCC[C@@]2(CO)C1 ZINC001363845681 953906809 /nfs/dbraw/zinc/90/68/09/953906809.db2.gz HONLSSJXUYUPDT-CALCHBBNSA-N 2 0 298.471 1.565 10 0 CDAERP CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001364014894 954126863 /nfs/dbraw/zinc/12/68/63/954126863.db2.gz KNQGLQJHSRTVSE-OAGGEKHMSA-N 2 0 293.455 1.659 10 0 CDAERP Cn1c2ccc(C[NH2+]CCCN3CCC3)cc2oc1=O ZINC001326847550 954586374 /nfs/dbraw/zinc/58/63/74/954586374.db2.gz SCGKHCYGFLSPCE-UHFFFAOYSA-N 2 0 275.352 1.317 10 0 CDAERP CC(C)=CC[NH2+]CC1(NC(=O)CC[NH+](C)C)CCOCC1 ZINC001327657047 954981357 /nfs/dbraw/zinc/98/13/57/954981357.db2.gz VYQYIOODXNVZKC-UHFFFAOYSA-N 2 0 297.443 1.159 10 0 CDAERP CC/C=C/CC[NH2+][C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001491578364 955296746 /nfs/dbraw/zinc/29/67/46/955296746.db2.gz DFBNEFAECFUATJ-XEVLESSRSA-N 2 0 281.444 1.779 10 0 CDAERP CC/C=C/CC[NH2+][C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001491578361 955296775 /nfs/dbraw/zinc/29/67/75/955296775.db2.gz DFBNEFAECFUATJ-ICWYTKJFSA-N 2 0 281.444 1.779 10 0 CDAERP C[C@@H](CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)C[NH+]1CCOCC1 ZINC001421556987 955409871 /nfs/dbraw/zinc/40/98/71/955409871.db2.gz JNHFINYGGJPTDV-ZACQAIPSSA-N 2 0 295.471 1.371 10 0 CDAERP CCCC[NH2+]CC1CC(NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001328949847 955574004 /nfs/dbraw/zinc/57/40/04/955574004.db2.gz KQPWHEJIFWWQMH-DQPZFDDXSA-N 2 0 293.455 1.757 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)CC[NH2+]Cc1ccc(F)cc1 ZINC001493769760 972112002 /nfs/dbraw/zinc/11/20/02/972112002.db2.gz RDJAETKOMWUTFQ-UHFFFAOYSA-N 2 0 295.402 1.716 10 0 CDAERP CC/C=C\CC[NH2+][C@H](C)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001329196977 955749284 /nfs/dbraw/zinc/74/92/84/955749284.db2.gz UDARCMOZQDFIDM-JGUVHBTRSA-N 2 0 281.444 1.921 10 0 CDAERP CC(C)[N@H+](C)CCN(C)C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001422172978 955811436 /nfs/dbraw/zinc/81/14/36/955811436.db2.gz CONWOBRYQXZXKT-HUUCEWRRSA-N 2 0 281.444 1.802 10 0 CDAERP C[C@@H]([NH2+]CC1CCC1)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001422333535 955947826 /nfs/dbraw/zinc/94/78/26/955947826.db2.gz HIGLVRFKVOGYNZ-KGLIPLIRSA-N 2 0 293.455 1.898 10 0 CDAERP CC[NH+](CC)CC[C@@H](C)NC(=O)N(C)CC[N@H+](C)C1CC1 ZINC001365445118 956040520 /nfs/dbraw/zinc/04/05/20/956040520.db2.gz BJNDAOANRJBZOT-CQSZACIVSA-N 2 0 298.475 1.842 10 0 CDAERP CCCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001493976777 972150228 /nfs/dbraw/zinc/15/02/28/972150228.db2.gz HISPEQGGBWQVGG-LSDHHAIUSA-N 2 0 281.444 1.659 10 0 CDAERP Cc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001422634618 956216751 /nfs/dbraw/zinc/21/67/51/956216751.db2.gz YFXVJWLDTWABNO-HOCLYGCPSA-N 2 0 289.423 1.684 10 0 CDAERP CCC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001494080429 972172740 /nfs/dbraw/zinc/17/27/40/972172740.db2.gz VNCXRIZWQXGZLT-UONOGXRCSA-N 2 0 267.417 1.176 10 0 CDAERP C[C@H](C[N@H+](C)CC1CCC1)NC(=O)[C@H]1CCCC[NH+]1C ZINC001422864151 956410494 /nfs/dbraw/zinc/41/04/94/956410494.db2.gz SNINZFXHQFYXOK-UKRRQHHQSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H](CCC[NH2+]CCF)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001330914791 956701914 /nfs/dbraw/zinc/70/19/14/956701914.db2.gz HTDLMEXUHBZFRC-QWHCGFSZSA-N 2 0 273.396 1.172 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1([NH2+]CC2CC2)CC1 ZINC001423309654 956719362 /nfs/dbraw/zinc/71/93/62/956719362.db2.gz XGVHGVAUDBRUFK-CHWSQXEVSA-N 2 0 279.428 1.508 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CCC[NH2+]CCF ZINC001330986363 956743953 /nfs/dbraw/zinc/74/39/53/956743953.db2.gz CZPWLJQQNHZXFQ-UONOGXRCSA-N 2 0 287.423 1.705 10 0 CDAERP CCC(CC)C[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001366413705 956801710 /nfs/dbraw/zinc/80/17/10/956801710.db2.gz XFKOBUGDSZYKRX-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001423577629 956872781 /nfs/dbraw/zinc/87/27/81/956872781.db2.gz LBCYLLLBNVGCIH-ZBFHGGJFSA-N 2 0 281.444 1.851 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@]1(C)CCC[N@H+](CCCF)C1 ZINC001423694731 956945885 /nfs/dbraw/zinc/94/58/85/956945885.db2.gz FWUJZTNRHUOUDW-HNNXBMFYSA-N 2 0 287.423 1.516 10 0 CDAERP C[NH+](CC(=O)NCCC[N@@H+](C)CC1CC1)CC(C)(C)C ZINC001316850953 957070782 /nfs/dbraw/zinc/07/07/82/957070782.db2.gz MMWQDVORMWCHQN-UHFFFAOYSA-N 2 0 283.460 1.812 10 0 CDAERP CCCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCc2cncn2C1 ZINC001331492461 957099711 /nfs/dbraw/zinc/09/97/11/957099711.db2.gz VFEMPIBCHBCKPH-KGLIPLIRSA-N 2 0 292.427 1.682 10 0 CDAERP CCC[N@H+](CC)CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001316896006 957104890 /nfs/dbraw/zinc/10/48/90/957104890.db2.gz QBEKKKVONLWINS-UHFFFAOYSA-N 2 0 281.444 1.853 10 0 CDAERP CCOCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001316984226 957174481 /nfs/dbraw/zinc/17/44/81/957174481.db2.gz GXRQYOAVCKCWNF-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)CC[NH2+][C@H](C)CN(C)C(=O)Cn1ccnc1 ZINC001331645792 957184497 /nfs/dbraw/zinc/18/44/97/957184497.db2.gz CORQECIFCMHLGB-CYBMUJFWSA-N 2 0 266.389 1.366 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH+](C)C(C)C)CC[N@@H+]1C ZINC001424296877 957192980 /nfs/dbraw/zinc/19/29/80/957192980.db2.gz MCLHIYTXLSCELX-LSDHHAIUSA-N 2 0 283.460 1.905 10 0 CDAERP C[C@@H](CCNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CC1CC1 ZINC001424576308 957278622 /nfs/dbraw/zinc/27/86/22/957278622.db2.gz MWAPPUSINOADJD-AWEZNQCLSA-N 2 0 293.455 1.757 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH2+]C(C)C ZINC001569270398 1169742248 /nfs/dbraw/zinc/74/22/48/1169742248.db2.gz UOYFYFALNFWNLP-AWEZNQCLSA-N 2 0 269.433 1.707 10 0 CDAERP CC[C@@H](C)C[NH2+][C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001317248086 957378874 /nfs/dbraw/zinc/37/88/74/957378874.db2.gz XZJMWKJLBDEGRC-OLZOCXBDSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001317530694 957533341 /nfs/dbraw/zinc/53/33/41/957533341.db2.gz JSYNOWUQJANXEH-HZPDHXFCSA-N 2 0 295.471 1.977 10 0 CDAERP CC(C)=CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001317561846 957556482 /nfs/dbraw/zinc/55/64/82/957556482.db2.gz OZFZMFRJGOHBHA-AWEZNQCLSA-N 2 0 279.428 1.485 10 0 CDAERP CN(CC[NH2+]Cc1ccc(F)cc1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001317619010 957601420 /nfs/dbraw/zinc/60/14/20/957601420.db2.gz PSHDBMKOJNEANZ-OAHLLOKOSA-N 2 0 293.386 1.468 10 0 CDAERP CN(CC[NH2+]CCCF)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001317656150 957625684 /nfs/dbraw/zinc/62/56/84/957625684.db2.gz VHUXQWVKBAXHBY-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP CN(CC[NH2+]CCCF)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001317656153 957625988 /nfs/dbraw/zinc/62/59/88/957625988.db2.gz VHUXQWVKBAXHBY-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)OCC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)[C@@H]1C ZINC001425932114 957645898 /nfs/dbraw/zinc/64/58/98/957645898.db2.gz OLLXEWBIWMNMBK-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP C(C[NH2+][C@@H]1CCOC12CCOCC2)C[NH+]1CCCC1 ZINC001332834003 957868082 /nfs/dbraw/zinc/86/80/82/957868082.db2.gz PVQLQSMRSJAZGQ-CQSZACIVSA-N 2 0 268.401 1.400 10 0 CDAERP C[C@@H](C[NH2+]CC1CCCC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001367359905 957968267 /nfs/dbraw/zinc/96/82/67/957968267.db2.gz PHNPFHUATNXOBO-ZFWWWQNUSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@@H](C(=O)N(C)CC[N@H+](C)CC[C@@H](C)F)[NH+](C)C ZINC001367535330 958110807 /nfs/dbraw/zinc/11/08/07/958110807.db2.gz XYZPDGVMYGLNGD-OLZOCXBDSA-N 2 0 275.412 1.465 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C[NH2+]CC)C2CC2)C1 ZINC001367905410 958470935 /nfs/dbraw/zinc/47/09/35/958470935.db2.gz KSEXZHVAPYWOGR-HUUCEWRRSA-N 2 0 281.444 1.613 10 0 CDAERP CCCC[NH2+]C[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001319281007 958472463 /nfs/dbraw/zinc/47/24/63/958472463.db2.gz BPEOHVCAGSEZII-ZDUSSCGKSA-N 2 0 255.406 1.224 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001367960116 958518820 /nfs/dbraw/zinc/51/88/20/958518820.db2.gz PONFVHGRAHXEGE-LSDHHAIUSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001368186629 958686611 /nfs/dbraw/zinc/68/66/11/958686611.db2.gz LOPMCNKTPUXNLA-RDJZCZTQSA-N 2 0 295.471 1.955 10 0 CDAERP CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001319749388 958712084 /nfs/dbraw/zinc/71/20/84/958712084.db2.gz FHGGGMPLMDEYMD-JKSUJKDBSA-N 2 0 293.455 1.709 10 0 CDAERP CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CCF ZINC001495036568 972382569 /nfs/dbraw/zinc/38/25/69/972382569.db2.gz UAQZSRHBHVSPJQ-GFCCVEGCSA-N 2 0 273.396 1.315 10 0 CDAERP Cc1ncoc1C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001368706477 959060342 /nfs/dbraw/zinc/06/03/42/959060342.db2.gz GZTBOWDMJHUKQF-AAEUAGOBSA-N 2 0 294.399 1.062 10 0 CDAERP CC[C@H](C(=O)NCC[C@H](C)[NH2+]C[C@H]1CCCOC1)[NH+](C)C ZINC001368721092 959079052 /nfs/dbraw/zinc/07/90/52/959079052.db2.gz BNFYPKLGUIWMAM-RRFJBIMHSA-N 2 0 299.459 1.238 10 0 CDAERP C[C@@H](CCNC(=O)Cc1c[nH]cn1)[NH2+]Cc1ccsc1 ZINC001368741178 959095189 /nfs/dbraw/zinc/09/51/89/959095189.db2.gz GDBMLRBUVRJEQM-NSHDSACASA-N 2 0 292.408 1.698 10 0 CDAERP CC(C)C[NH2+]CC1CC(NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001368821850 959154560 /nfs/dbraw/zinc/15/45/60/959154560.db2.gz JCMZQBHIUCWYJZ-YMAMQOFZSA-N 2 0 283.460 1.713 10 0 CDAERP C[C@H](CC[NH2+]C[C@@H]1CC(C)(C)CO1)NC(=O)CC[NH+](C)C ZINC001320542444 959230649 /nfs/dbraw/zinc/23/06/49/959230649.db2.gz IBCAJYGAZZFVDJ-KGLIPLIRSA-N 2 0 299.459 1.238 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001369178910 959506865 /nfs/dbraw/zinc/50/68/65/959506865.db2.gz GJGPMWRZJJUHAI-AJNGGQMLSA-N 2 0 283.460 1.857 10 0 CDAERP CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001369203160 959528638 /nfs/dbraw/zinc/52/86/38/959528638.db2.gz CQXVOUMOTNKQDR-HZPDHXFCSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001321541982 959844902 /nfs/dbraw/zinc/84/49/02/959844902.db2.gz OXXZTMSTKMJANG-CYBMUJFWSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](C[C@H]2CCCCO2)C1 ZINC001370067966 959977910 /nfs/dbraw/zinc/97/79/10/959977910.db2.gz VSLNZIPAVJJUJJ-LSDHHAIUSA-N 2 0 297.443 1.086 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001370396024 960081995 /nfs/dbraw/zinc/08/19/95/960081995.db2.gz SFRCACPYACVMEH-KGLIPLIRSA-N 2 0 299.434 1.799 10 0 CDAERP CCC[N@H+](C)C[C@H](C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001322280721 960165402 /nfs/dbraw/zinc/16/54/02/960165402.db2.gz JLTFISSNBOBPRD-QWHCGFSZSA-N 2 0 255.406 1.175 10 0 CDAERP C[C@H](C[N@H+](C)CCCCCF)NC(=O)C12CC[NH+](CC1)C2 ZINC001322282165 960169732 /nfs/dbraw/zinc/16/97/32/960169732.db2.gz VVHPTIMQBSLJJN-CQSZACIVSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)C[NH+]1CC(N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001324004780 961103283 /nfs/dbraw/zinc/10/32/83/961103283.db2.gz QBJFOPJKZNBWAO-UHFFFAOYSA-N 2 0 269.433 1.517 10 0 CDAERP CCN1CC[C@@H]1C(=O)N1CC[N@H+](C2CCCC2)[C@@H](C)C1 ZINC001434362142 961206449 /nfs/dbraw/zinc/20/64/49/961206449.db2.gz VPQYDJMRUGLGJV-DZGCQCFKSA-N 2 0 279.428 1.556 10 0 CDAERP C[NH+](C)CCC(=O)NC1C[NH+](CC2CCC3(CC3)CC2)C1 ZINC001418989399 961233749 /nfs/dbraw/zinc/23/37/49/961233749.db2.gz PRSSJFQPXDHPQT-UHFFFAOYSA-N 2 0 293.455 1.709 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001434411064 961330914 /nfs/dbraw/zinc/33/09/14/961330914.db2.gz DELVZCRONQZTSL-QKPAOTATSA-N 2 0 295.471 1.763 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC[C@H](C)F)C1 ZINC001419178881 961476784 /nfs/dbraw/zinc/47/67/84/961476784.db2.gz TZLDVIDGKAGQKK-STQMWFEESA-N 2 0 273.396 1.267 10 0 CDAERP C[C@H](NC(=O)CC[NH+](C)C)[C@@H]1CCC[N@H+](CCCF)C1 ZINC001419630578 961885706 /nfs/dbraw/zinc/88/57/06/961885706.db2.gz GKGOKRVIGIITTO-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001419742633 962057213 /nfs/dbraw/zinc/05/72/13/962057213.db2.gz HPVMDGYAJWEKKB-LSDHHAIUSA-N 2 0 299.459 1.047 10 0 CDAERP CC(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001419742626 962061213 /nfs/dbraw/zinc/06/12/13/962061213.db2.gz HPVMDGYAJWEKKB-GJZGRUSLSA-N 2 0 299.459 1.047 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]C/C=C\Cl ZINC001419842880 962154011 /nfs/dbraw/zinc/15/40/11/962154011.db2.gz UHNAWGDEJVSGBQ-DCRFLDTMSA-N 2 0 287.835 1.564 10 0 CDAERP CCC[N@H+](CCO)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001436464094 962267656 /nfs/dbraw/zinc/26/76/56/962267656.db2.gz IANTZTOVNUUGPH-OAHLLOKOSA-N 2 0 299.459 1.024 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1ncc(C)s1)[NH+](C)C ZINC001437175881 962703817 /nfs/dbraw/zinc/70/38/17/962703817.db2.gz WMRSPTUTQFUPBK-CMPLNLGQSA-N 2 0 298.456 1.386 10 0 CDAERP CC[N@H+](CCNC(=O)C[NH+](C)C(C)C)Cc1cccnc1 ZINC001420451093 962918982 /nfs/dbraw/zinc/91/89/82/962918982.db2.gz NZHLLGZASWNKGW-UHFFFAOYSA-N 2 0 292.427 1.360 10 0 CDAERP CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001420454746 962924674 /nfs/dbraw/zinc/92/46/74/962924674.db2.gz XGUOCXHCHSXRCQ-DZGCQCFKSA-N 2 0 281.444 1.898 10 0 CDAERP Cc1ncsc1C[NH2+]C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001420509002 962990600 /nfs/dbraw/zinc/99/06/00/962990600.db2.gz BCBJZFABXRUVPS-NSHDSACASA-N 2 0 296.440 1.142 10 0 CDAERP C[C@H](CN(C)CC=C(Cl)Cl)NC(=O)CC[NH+](C)C ZINC001420621234 963130056 /nfs/dbraw/zinc/13/00/56/963130056.db2.gz RZJYYSMBCHNUCL-SNVBAGLBSA-N 2 0 296.242 1.694 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001420790625 963245940 /nfs/dbraw/zinc/24/59/40/963245940.db2.gz SHNREIBCFJUFNF-ZIAGYGMSSA-N 2 0 285.407 1.315 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)NCC[C@@H]1CC[NH+](CCF)C1 ZINC001437931321 963246474 /nfs/dbraw/zinc/24/64/74/963246474.db2.gz LXRFVFWANUUOEB-CABCVRRESA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001437970843 963262550 /nfs/dbraw/zinc/26/25/50/963262550.db2.gz ACUBCGZQYRGVFG-GJZGRUSLSA-N 2 0 281.444 1.517 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001420848714 963298589 /nfs/dbraw/zinc/29/85/89/963298589.db2.gz OHMXGOKQSRVWJK-CABCVRRESA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H](CC(=O)NC[C@H]1CC[N@@H+]1CC1CCC1)n1ccnc1 ZINC001420875692 963322756 /nfs/dbraw/zinc/32/27/56/963322756.db2.gz VFSHBNOKDKRXGK-DZGCQCFKSA-N 2 0 290.411 1.825 10 0 CDAERP C[C@H](CC(=O)NC[C@@H]1CC[N@@H+]1CC1CCC1)n1ccnc1 ZINC001420875694 963323739 /nfs/dbraw/zinc/32/37/39/963323739.db2.gz VFSHBNOKDKRXGK-HIFRSBDPSA-N 2 0 290.411 1.825 10 0 CDAERP CC(C)CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001420925475 963362880 /nfs/dbraw/zinc/36/28/80/963362880.db2.gz KMASWRGKFNBUIC-CVEARBPZSA-N 2 0 295.471 1.907 10 0 CDAERP CC(C)[NH2+]CC1(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCCC1 ZINC001438384852 963437173 /nfs/dbraw/zinc/43/71/73/963437173.db2.gz AGOBANRIZVKSTB-OAHLLOKOSA-N 2 0 293.455 1.755 10 0 CDAERP CC(C)[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)C(C)C ZINC001438771923 963545843 /nfs/dbraw/zinc/54/58/43/963545843.db2.gz ZQKQEIPGCCEOCE-GJZGRUSLSA-N 2 0 283.460 1.952 10 0 CDAERP CC(C)C[N@H+](C)C[C@@H](C)NC(=O)CC[C@H]1CCC[NH+]1C ZINC001439335826 963726016 /nfs/dbraw/zinc/72/60/16/963726016.db2.gz ZEWPMJPKUNNOAV-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@H](F)CC[NH2+]C1(CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001439674495 963837156 /nfs/dbraw/zinc/83/71/56/963837156.db2.gz FZARXIPZJLTHQP-AWEZNQCLSA-N 2 0 299.434 1.849 10 0 CDAERP CC[C@H](F)C[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001440354949 963996358 /nfs/dbraw/zinc/99/63/58/963996358.db2.gz GUIBLHQYBNRSTM-KBPBESRZSA-N 2 0 299.434 1.705 10 0 CDAERP CCC[N@H+](C)CCC(=O)NC[C@@H]1[C@H]2C[NH+](CC(C)C)C[C@H]21 ZINC001441318320 964459823 /nfs/dbraw/zinc/45/98/23/964459823.db2.gz OYAAEIGJHMXEPB-PHZGNYQRSA-N 2 0 295.471 1.668 10 0 CDAERP CC[C@H](F)C[NH2+][C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001441866717 964758967 /nfs/dbraw/zinc/75/89/67/964758967.db2.gz FXEXNHSJFQCTAO-OLZOCXBDSA-N 2 0 285.407 1.457 10 0 CDAERP C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]CCC1CC1 ZINC001441872467 964764095 /nfs/dbraw/zinc/76/40/95/964764095.db2.gz WAWUSZIFLMNWQX-UKRRQHHQSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001442128680 964880710 /nfs/dbraw/zinc/88/07/10/964880710.db2.gz CYPVVWSOXCZJAX-KBPBESRZSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001444167002 965748430 /nfs/dbraw/zinc/74/84/30/965748430.db2.gz YXPGJAZZQVIBCY-HUUCEWRRSA-N 2 0 281.444 1.565 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)C1([NH+](C)C)CCCC1 ZINC001444669328 965918117 /nfs/dbraw/zinc/91/81/17/965918117.db2.gz JWCUFIXSBNEOLF-UHFFFAOYSA-N 2 0 269.433 1.661 10 0 CDAERP CC(C)CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001445771046 966329106 /nfs/dbraw/zinc/32/91/06/966329106.db2.gz PXVWRUXWOVZGMB-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H](F)CC[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001446237446 966493437 /nfs/dbraw/zinc/49/34/37/966493437.db2.gz UYIFNWNEUOVNIB-GFCCVEGCSA-N 2 0 285.407 1.315 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001446560073 966584624 /nfs/dbraw/zinc/58/46/24/966584624.db2.gz LMVNDWNZTRKADL-GOEBONIOSA-N 2 0 281.444 1.565 10 0 CDAERP C[NH+](C)CC1(CNC(=O)CC[N@@H+]2CC[C@H](F)C2)CCCC1 ZINC001447496554 966798001 /nfs/dbraw/zinc/79/80/01/966798001.db2.gz QNUNJDZPZSOCPD-AWEZNQCLSA-N 2 0 299.434 1.659 10 0 CDAERP C[NH+](C)CCCC(=O)NC1CC(C[NH2+]CC2CCC2)C1 ZINC001447808022 966882121 /nfs/dbraw/zinc/88/21/21/966882121.db2.gz ZXVCUIOGHJLWFN-UHFFFAOYSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)CC1CCCC1 ZINC001447999668 966959948 /nfs/dbraw/zinc/95/99/48/966959948.db2.gz PWJBKFHEYHJVPB-DZGCQCFKSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC1[C@H]2C[NH+](C/C=C/Cl)C[C@@H]12 ZINC001448444356 967113539 /nfs/dbraw/zinc/11/35/39/967113539.db2.gz DLEIWNDJAZMEQW-SNSWZIKMSA-N 2 0 299.846 1.373 10 0 CDAERP CC(C)[C@@H](CCNC(=O)C1([NH+](C)C)CCC1)[NH2+]CCF ZINC001448552572 967151786 /nfs/dbraw/zinc/15/17/86/967151786.db2.gz RFFHNGDKEHVSGN-CYBMUJFWSA-N 2 0 287.423 1.561 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1[NH+](CC1CC1)CC2 ZINC001449012577 967335775 /nfs/dbraw/zinc/33/57/75/967335775.db2.gz KRCWRAJZFCVDIQ-WBVHZDCISA-N 2 0 293.455 1.851 10 0 CDAERP C[C@H](F)CC[NH2+]C1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001449402192 967453875 /nfs/dbraw/zinc/45/38/75/967453875.db2.gz MPENSJJUJPIZHD-HSBZDZAISA-N 2 0 297.418 1.409 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)CC[NH+](C)C ZINC001450608924 967754342 /nfs/dbraw/zinc/75/43/42/967754342.db2.gz PUYYEGAOYDXJAV-ZIAGYGMSSA-N 2 0 271.449 1.811 10 0 CDAERP CC[N@@H+]1CCCN(C(=O)CC[NH+]2CC[C@@H](F)C2)[C@H](C)C1 ZINC001450979330 967863078 /nfs/dbraw/zinc/86/30/78/967863078.db2.gz QMMWIWTWIIXANV-ZIAGYGMSSA-N 2 0 285.407 1.363 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001480530545 968114636 /nfs/dbraw/zinc/11/46/36/968114636.db2.gz JOCGVNPDORFJMG-ZDUSSCGKSA-N 2 0 267.417 1.389 10 0 CDAERP C[C@H]([C@H](C)O)[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001460941580 969569550 /nfs/dbraw/zinc/56/95/50/969569550.db2.gz KITMMTPUKOCCJD-KGLIPLIRSA-N 2 0 270.417 1.069 10 0 CDAERP Cn1cc([C@@H]2CCC[N@H+](CC[C@H]3CCC[NH+]3C)C2)nn1 ZINC001460946929 969571383 /nfs/dbraw/zinc/57/13/83/969571383.db2.gz QYPIWINTEFUEQR-ZIAGYGMSSA-N 2 0 277.416 1.479 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)C1 ZINC001469705023 970266634 /nfs/dbraw/zinc/26/66/34/970266634.db2.gz OMWVEGUBENMYJS-XUWVNRHRSA-N 2 0 293.455 1.517 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001361951736 970708544 /nfs/dbraw/zinc/70/85/44/970708544.db2.gz IXBUKBAYJZWGMH-QLFBSQMISA-N 2 0 281.444 1.565 10 0 CDAERP CCCCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001495670041 972587543 /nfs/dbraw/zinc/58/75/43/972587543.db2.gz SSBRGIZSJITMMQ-RBSFLKMASA-N 2 0 283.460 1.859 10 0 CDAERP CCCCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001496354639 972898846 /nfs/dbraw/zinc/89/88/46/972898846.db2.gz BXGBNXPKQAFOHH-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CN(CC[N@H+](C)C[C@@H]1CC[C@H]2C[C@H]2C1)C(=O)CC[NH+](C)C ZINC001496776960 973092420 /nfs/dbraw/zinc/09/24/20/973092420.db2.gz JTBQXKNKHYCXDX-OWCLPIDISA-N 2 0 295.471 1.765 10 0 CDAERP CCC[N@H+](C)CCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001496842392 973117332 /nfs/dbraw/zinc/11/73/32/973117332.db2.gz YWTDEEJGMGMMPI-KBPBESRZSA-N 2 0 269.433 1.659 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001569653773 1169956119 /nfs/dbraw/zinc/95/61/19/1169956119.db2.gz UOAXWYAQBPQCIM-HEDFYIJFSA-N 2 0 293.455 1.875 10 0 CDAERP CC1CC(C[N@@H+]2CC[C@H]2CN(C)C(=O)CC[NH+](C)C)C1 ZINC001417754753 973362390 /nfs/dbraw/zinc/36/23/90/973362390.db2.gz OQIDDHUEWYCVDF-NRXISQOPSA-N 2 0 281.444 1.517 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CC1CCC1 ZINC001417823893 973405245 /nfs/dbraw/zinc/40/52/45/973405245.db2.gz ALVUATOCWCOYJH-LSDHHAIUSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC2CC(C)C2)[C@@H]1C ZINC001417851544 973418039 /nfs/dbraw/zinc/41/80/39/973418039.db2.gz PYPFICXBFRTUEZ-KNIAUWFNSA-N 2 0 295.471 1.952 10 0 CDAERP CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001497581076 973420306 /nfs/dbraw/zinc/42/03/06/973420306.db2.gz ZZHCNBOHXCRNHM-SZZPACECSA-N 2 0 253.390 1.141 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1C[NH+](CC2CC2)C1 ZINC001373562630 973491500 /nfs/dbraw/zinc/49/15/00/973491500.db2.gz YROOZXMDURRUES-BETUJISGSA-N 2 0 279.428 1.317 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CCF)C1CC1 ZINC001417981915 973514263 /nfs/dbraw/zinc/51/42/63/973514263.db2.gz ICWBOKJPDXFBFZ-HUUCEWRRSA-N 2 0 299.434 1.561 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001418122094 973599932 /nfs/dbraw/zinc/59/99/32/973599932.db2.gz IMGSRFKDGLCQSJ-UPJWGTAASA-N 2 0 285.407 1.456 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001418298121 973735981 /nfs/dbraw/zinc/73/59/81/973735981.db2.gz JGZRTYJAFMNEOB-ZDUSSCGKSA-N 2 0 283.460 1.859 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001418347510 973759144 /nfs/dbraw/zinc/75/91/44/973759144.db2.gz XQNLTKFZRCYGCL-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001418525955 973930368 /nfs/dbraw/zinc/93/03/68/973930368.db2.gz AVMRQSUDFPKSDD-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001374933569 974184313 /nfs/dbraw/zinc/18/43/13/974184313.db2.gz KIKVJRGYDDXJSM-STQMWFEESA-N 2 0 289.439 1.807 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001375544470 974419125 /nfs/dbraw/zinc/41/91/25/974419125.db2.gz SVVFCOKBJVAPAZ-KLHDSHLOSA-N 2 0 295.471 1.859 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]CCF)C1CC1 ZINC001376281232 974621144 /nfs/dbraw/zinc/62/11/44/974621144.db2.gz REOKTRPSMWTCNP-KGLIPLIRSA-N 2 0 285.407 1.315 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001376475149 974671074 /nfs/dbraw/zinc/67/10/74/974671074.db2.gz CCGFOMSOYKVEOB-OKILXGFUSA-N 2 0 281.444 1.611 10 0 CDAERP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC(C)C)C1)[NH+](CC)CC ZINC001376912304 974815534 /nfs/dbraw/zinc/81/55/34/974815534.db2.gz PDCHNRKQQHAOSA-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]([NH+](C)CCCF)C2)C1 ZINC001376984601 974839121 /nfs/dbraw/zinc/83/91/21/974839121.db2.gz XMSJKQQLKQCIQS-LSDHHAIUSA-N 2 0 299.434 1.611 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CCF ZINC001377050158 974868273 /nfs/dbraw/zinc/86/82/73/974868273.db2.gz OCFYMVHKMFRLBV-ZIAGYGMSSA-N 2 0 287.423 1.561 10 0 CDAERP C[C@@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccccc1 ZINC001377109477 974886326 /nfs/dbraw/zinc/88/63/26/974886326.db2.gz NCGBHUULLGDBHO-HNNXBMFYSA-N 2 0 289.423 1.767 10 0 CDAERP CC1CC(C[N@H+](C)CCNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001377172389 974913279 /nfs/dbraw/zinc/91/32/79/974913279.db2.gz ICKKHUHSFMXXMO-UYSNPLJNSA-N 2 0 295.471 1.955 10 0 CDAERP Cc1ncc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)o1 ZINC001505760831 974985134 /nfs/dbraw/zinc/98/51/34/974985134.db2.gz PIFMLNVRPXUQSR-NWDGAFQWSA-N 2 0 296.415 1.306 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+](C/C=C/Cl)C1 ZINC001377452936 975033532 /nfs/dbraw/zinc/03/35/32/975033532.db2.gz NJSCCLHFTZHKSP-UXONFWTHSA-N 2 0 273.808 1.129 10 0 CDAERP C[C@@H](F)CC[NH2+][C@@H](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001377455718 975033756 /nfs/dbraw/zinc/03/37/56/975033756.db2.gz ROUPFMVVRQHQPN-KGLIPLIRSA-N 2 0 299.434 1.847 10 0 CDAERP C[C@@H](CCNC(=O)CC[NH+](C)C)[NH2+]Cc1cncc(F)c1 ZINC001377483346 975046680 /nfs/dbraw/zinc/04/66/80/975046680.db2.gz BCVSFNWTCWCOGI-LBPRGKRZSA-N 2 0 296.390 1.157 10 0 CDAERP CC[C@H](F)CN(CCNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001377520663 975061914 /nfs/dbraw/zinc/06/19/14/975061914.db2.gz VHPHBRVVFFGHEX-GXTWGEPZSA-N 2 0 285.407 1.409 10 0 CDAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)CC[C@@H]1CCCO1 ZINC001506056858 975102746 /nfs/dbraw/zinc/10/27/46/975102746.db2.gz PZKCHWNBOPQJDB-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1ccccn1 ZINC001377849528 975156517 /nfs/dbraw/zinc/15/65/17/975156517.db2.gz NJSJQSKLWRGABC-QWHCGFSZSA-N 2 0 278.400 1.016 10 0 CDAERP COCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001507096742 975334761 /nfs/dbraw/zinc/33/47/61/975334761.db2.gz ZPDRYFBMGNKUOV-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@](C)(C[NH2+]CC1CC1)C1CC1 ZINC001378419460 975348318 /nfs/dbraw/zinc/34/83/18/975348318.db2.gz XWZUZNKZPCTRJC-RDJZCZTQSA-N 2 0 293.455 1.755 10 0 CDAERP CCC(CC)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001378517267 975373676 /nfs/dbraw/zinc/37/36/76/975373676.db2.gz NGSIMGLIRMBFBY-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP CCCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](CC)C1 ZINC001404432012 975387458 /nfs/dbraw/zinc/38/74/58/975387458.db2.gz GXKSRLUNWWXNHT-CQSZACIVSA-N 2 0 279.428 1.415 10 0 CDAERP CCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001507322876 975415655 /nfs/dbraw/zinc/41/56/55/975415655.db2.gz UPGLLHGCQQPZGH-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP C[N@H+](C/C=C/Cl)C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001404590602 975429920 /nfs/dbraw/zinc/42/99/20/975429920.db2.gz QBOCUBURNKFYHW-YVZNUBBCSA-N 2 0 299.846 1.615 10 0 CDAERP CC(C)C[C@H](C)C[NH+]1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001404827112 975500298 /nfs/dbraw/zinc/50/02/98/975500298.db2.gz RVPRBGPDNGMKPV-GJZGRUSLSA-N 2 0 295.471 1.811 10 0 CDAERP CN(C[C@@H]1CC[N@@H+]1CC1CC1)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001388653747 975537472 /nfs/dbraw/zinc/53/74/72/975537472.db2.gz RRXPUOSMEDMALF-CABCVRRESA-N 2 0 279.428 1.271 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001388685611 975553246 /nfs/dbraw/zinc/55/32/46/975553246.db2.gz IDUSNBPQFLDYRF-UPJWGTAASA-N 2 0 273.396 1.171 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC[C@@H](C)F)C1)[NH+](C)C ZINC001404995318 975580190 /nfs/dbraw/zinc/58/01/90/975580190.db2.gz BBFOZXIKVXLMDH-FRRDWIJNSA-N 2 0 273.396 1.265 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]CC2CCC2)C(C)(C)C)C1 ZINC001508031828 975581301 /nfs/dbraw/zinc/58/13/01/975581301.db2.gz ZUOSDHDYDAKBMP-CABCVRRESA-N 2 0 295.471 1.859 10 0 CDAERP CO[C@@H](C)C[N@H+](C)CCN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001379065617 975633813 /nfs/dbraw/zinc/63/38/13/975633813.db2.gz PJJLSFWWUCVGRU-GJZGRUSLSA-N 2 0 299.459 1.286 10 0 CDAERP COc1cccc(C[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C)c1 ZINC001401640007 975755281 /nfs/dbraw/zinc/75/52/81/975755281.db2.gz PMWKIRNCXPOLBH-CYBMUJFWSA-N 2 0 293.411 1.241 10 0 CDAERP Cc1ncc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)o1 ZINC001401689218 975800039 /nfs/dbraw/zinc/80/00/39/975800039.db2.gz XQTBJTLUPDYUTR-BXUZGUMPSA-N 2 0 296.415 1.164 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001401714479 975823733 /nfs/dbraw/zinc/82/37/33/975823733.db2.gz VQWIERHTGPIOBD-UONOGXRCSA-N 2 0 299.459 1.238 10 0 CDAERP CC[N@@H+]1CC[C@@]2(NC(=O)CC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001379627217 975966661 /nfs/dbraw/zinc/96/66/61/975966661.db2.gz ZFKBBDBHZYZYGG-WBVHZDCISA-N 2 0 293.455 1.996 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H](C[N@H+](C)CC2CCC2)C1 ZINC001389747846 975969524 /nfs/dbraw/zinc/96/95/24/975969524.db2.gz VNAGHNFZKQDTNU-INIZCTEOSA-N 2 0 295.471 1.909 10 0 CDAERP CC(C)CC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001379649638 975986326 /nfs/dbraw/zinc/98/63/26/975986326.db2.gz GAKNVFYVQGYSQY-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CCC(CC)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001389786173 975988957 /nfs/dbraw/zinc/98/89/57/975988957.db2.gz WFVAJILXGFVGDS-VNQPRFMTSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001398453487 975991339 /nfs/dbraw/zinc/99/13/39/975991339.db2.gz IUBFLMDSWMSCFO-CABCVRRESA-N 2 0 281.444 1.469 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001401930143 976019733 /nfs/dbraw/zinc/01/97/33/976019733.db2.gz QFSKNFPYQHTZIL-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCF)C1)[NH+]1CCCC1 ZINC001389904186 976040912 /nfs/dbraw/zinc/04/09/12/976040912.db2.gz GGFXLKSRGAAWOE-MGPQQGTHSA-N 2 0 285.407 1.313 10 0 CDAERP O=C(N[C@H]1C[C@H]([NH2+]C/C=C\Cl)C1)C12CC[NH+](CC1)C2 ZINC001398560358 976044345 /nfs/dbraw/zinc/04/43/45/976044345.db2.gz CRXZAOFCXHJNJP-YUNSNFILSA-N 2 0 283.803 1.072 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001406133404 976054698 /nfs/dbraw/zinc/05/46/98/976054698.db2.gz ZFPANKWJPXRIAY-LSDHHAIUSA-N 2 0 283.460 1.765 10 0 CDAERP CCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001401980027 976056898 /nfs/dbraw/zinc/05/68/98/976056898.db2.gz VDWFYKGYHUAFDF-UONOGXRCSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@H](C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1)OC ZINC001389981621 976074484 /nfs/dbraw/zinc/07/44/84/976074484.db2.gz BYFMLRFAZHJYGU-LXTVHRRPSA-N 2 0 299.459 1.234 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCCO2)C1)[NH+](C)C ZINC001398663051 976098138 /nfs/dbraw/zinc/09/81/38/976098138.db2.gz LJXWWJSWJUOBIZ-LJISPDSOSA-N 2 0 297.443 1.133 10 0 CDAERP C[C@H](C[NH2+]Cc1ccccc1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001406363493 976151648 /nfs/dbraw/zinc/15/16/48/976151648.db2.gz WCQQNLFVCCFMAU-IIAWOOMASA-N 2 0 289.423 1.621 10 0 CDAERP C[C@H](C[NH2+]CC1CC(F)(F)C1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001406425685 976180081 /nfs/dbraw/zinc/18/00/81/976180081.db2.gz APRJAADUFFKIGW-PWSUYJOCSA-N 2 0 289.370 1.078 10 0 CDAERP CC[NH2+]C1CCC(NC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001390264569 976191683 /nfs/dbraw/zinc/19/16/83/976191683.db2.gz OLIYHIPWHWREAX-UHFFFAOYSA-N 2 0 297.443 1.134 10 0 CDAERP CC(C)[NH2+]C[C@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)(C)C ZINC001380071991 976229826 /nfs/dbraw/zinc/22/98/26/976229826.db2.gz IRMJCSPGSSECMR-GJZGRUSLSA-N 2 0 295.471 1.857 10 0 CDAERP Cc1oncc1C[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001390403371 976279664 /nfs/dbraw/zinc/27/96/64/976279664.db2.gz XBJGIGLLGADFOZ-SMDDNHRTSA-N 2 0 294.399 1.062 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001402461443 976292217 /nfs/dbraw/zinc/29/22/17/976292217.db2.gz CCCLLUVEQYCCHB-GJZGRUSLSA-N 2 0 299.434 1.801 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CCC1CC1 ZINC001399024681 976294117 /nfs/dbraw/zinc/29/41/17/976294117.db2.gz IHACZXIADKSZSQ-YDHLFZDLSA-N 2 0 281.444 1.611 10 0 CDAERP Cc1conc1C[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001402551567 976355546 /nfs/dbraw/zinc/35/55/46/976355546.db2.gz NSNSIEBDBPNRJX-JOCQHMNTSA-N 2 0 294.399 1.060 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001402575529 976374221 /nfs/dbraw/zinc/37/42/21/976374221.db2.gz NLVYEZLPNXAMHP-NIFZNCRKSA-N 2 0 299.434 1.702 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001399186039 976377046 /nfs/dbraw/zinc/37/70/46/976377046.db2.gz OHAXWLIDXVFZPE-HNNXBMFYSA-N 2 0 293.386 1.468 10 0 CDAERP C[NH+](C)CCCC(=O)N1CC[C@H]([NH2+]Cc2ccsc2)C1 ZINC001399183454 976377407 /nfs/dbraw/zinc/37/74/07/976377407.db2.gz CHUWOBUOFUVCKR-AWEZNQCLSA-N 2 0 295.452 1.780 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001402627963 976407241 /nfs/dbraw/zinc/40/72/41/976407241.db2.gz OYFNKURUMBWBOD-KFWWJZLASA-N 2 0 281.444 1.611 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC001406789427 976408324 /nfs/dbraw/zinc/40/83/24/976408324.db2.gz IUEYEWHXPVBRTP-XJKSGUPXSA-N 2 0 299.434 1.703 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001402647431 976422619 /nfs/dbraw/zinc/42/26/19/976422619.db2.gz UMSTYPZRNKJLPT-KFWWJZLASA-N 2 0 299.434 1.847 10 0 CDAERP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+]Cc1ccns1 ZINC001390707928 976446819 /nfs/dbraw/zinc/44/68/19/976446819.db2.gz WCRXVQYESRIUQI-LLVKDONJSA-N 2 0 284.429 1.079 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@@H+]1CC1CCCCC1 ZINC001406906343 976471296 /nfs/dbraw/zinc/47/12/96/976471296.db2.gz PNQVEWZZEHCDMA-INIZCTEOSA-N 2 0 293.455 1.853 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC001402795125 976482092 /nfs/dbraw/zinc/48/20/92/976482092.db2.gz VSUYJYYIRPRCIU-HIFRSBDPSA-N 2 0 281.444 1.565 10 0 CDAERP C[NH+](C)CCC(=O)NCC1([NH2+]C[C@H]2CCCCO2)CCC1 ZINC001380876708 976589406 /nfs/dbraw/zinc/58/94/06/976589406.db2.gz GIDNTPIWVGXWJH-CQSZACIVSA-N 2 0 297.443 1.136 10 0 CDAERP CC[C@H](F)C[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CCC1 ZINC001380881408 976591449 /nfs/dbraw/zinc/59/14/49/976591449.db2.gz ZECPYYBPAPOQHY-ZDUSSCGKSA-N 2 0 299.434 1.705 10 0 CDAERP CC[C@H](C[N@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C)OC ZINC001402946146 976603056 /nfs/dbraw/zinc/60/30/56/976603056.db2.gz ZXPBWPMQLYQPPH-LSDHHAIUSA-N 2 0 299.459 1.286 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)CC1CC1 ZINC001390978299 976632023 /nfs/dbraw/zinc/63/20/23/976632023.db2.gz GWULQWCQYLKZBD-HOTGVXAUSA-N 2 0 293.455 1.851 10 0 CDAERP CC[NH2+][C@@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001403004002 976656534 /nfs/dbraw/zinc/65/65/34/976656534.db2.gz JYOBAAPXRDEBLT-IMJJTQAJSA-N 2 0 289.423 1.446 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(F)c1 ZINC001403145954 976762462 /nfs/dbraw/zinc/76/24/62/976762462.db2.gz VPRDJNWGYXTJQD-JSGCOSHPSA-N 2 0 293.386 1.372 10 0 CDAERP CC(C)CC[NH+]1CC([C@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001403309386 976873877 /nfs/dbraw/zinc/87/38/77/976873877.db2.gz XDTAHLIVFGIYKS-AWEZNQCLSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)C[NH2+]C1(C)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001408085176 976908094 /nfs/dbraw/zinc/90/80/94/976908094.db2.gz DKRUWCQSWMDVPM-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[N@H+](C)Cc1cccc(F)c1 ZINC001381564712 976915057 /nfs/dbraw/zinc/91/50/57/976915057.db2.gz MCDYQYONIGXXIP-ZDUSSCGKSA-N 2 0 295.402 1.714 10 0 CDAERP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CC[C@H]1CCCCO1 ZINC001403590933 977088788 /nfs/dbraw/zinc/08/87/88/977088788.db2.gz AWOSHLOVNLCNEA-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N[C@](C)(C[NH2+]CC2CC2)C2CC2)C1 ZINC001391799408 977102209 /nfs/dbraw/zinc/10/22/09/977102209.db2.gz REOHERMFTFXENH-XJKSGUPXSA-N 2 0 279.428 1.223 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)C(C)C ZINC001391867530 977121749 /nfs/dbraw/zinc/12/17/49/977121749.db2.gz UFTNPDUJIBGSHV-UONOGXRCSA-N 2 0 287.423 1.655 10 0 CDAERP Cc1ncsc1C[NH2+]C[C@H](C)CNC(=O)CC[NH+](C)C ZINC001391923952 977152965 /nfs/dbraw/zinc/15/29/65/977152965.db2.gz LIXJXDFGHQHWAI-NSHDSACASA-N 2 0 298.456 1.245 10 0 CDAERP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cccc(C)c1 ZINC001400846307 977222358 /nfs/dbraw/zinc/22/23/58/977222358.db2.gz GKHFWUDRGDSYBB-INIZCTEOSA-N 2 0 291.439 1.931 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCC(C)C)C[C@H]1C ZINC001382316148 977249896 /nfs/dbraw/zinc/24/98/96/977249896.db2.gz OMCPQIOIRGUEQT-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@@H](C(=O)N[C@@]12CCC[C@H]1[N@H+](CCOC)CC2)[NH+](C)C ZINC001382325947 977250832 /nfs/dbraw/zinc/25/08/32/977250832.db2.gz CSPJCBGHWRIVOE-SQWLQELKSA-N 2 0 297.443 1.086 10 0 CDAERP COCC[NH+]1CCC([C@H](C)NC(=O)CCC[NH+](C)C)CC1 ZINC001403986639 977294762 /nfs/dbraw/zinc/29/47/62/977294762.db2.gz PVWSNAYIQMNZRJ-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@H](C)C[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)C1CC1 ZINC001404286713 977398865 /nfs/dbraw/zinc/39/88/65/977398865.db2.gz PRRZQDWIFRKNSW-LSDHHAIUSA-N 2 0 295.471 1.955 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CCC1)C1CC1 ZINC001392784452 977596481 /nfs/dbraw/zinc/59/64/81/977596481.db2.gz HKFHKIMKTVZLOG-CVEARBPZSA-N 2 0 293.455 1.755 10 0 CDAERP CC1([NH2+]C/C=C\Cl)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001393749778 977907391 /nfs/dbraw/zinc/90/73/91/977907391.db2.gz FRXNSCVQLLLKAI-DAXSKMNVSA-N 2 0 299.846 1.805 10 0 CDAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]Cc1cncs1 ZINC001393749150 977907615 /nfs/dbraw/zinc/90/76/15/977907615.db2.gz LTJAZHCJXYVXHL-YPMHNXCESA-N 2 0 296.440 1.031 10 0 CDAERP C[C@@H](F)CC[NH2+][C@@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001393824866 977928202 /nfs/dbraw/zinc/92/82/02/977928202.db2.gz UFIJPDOQFSDCRG-OLZOCXBDSA-N 2 0 285.407 1.315 10 0 CDAERP Cc1ncc(C[NH2+][C@H](C)[C@H](C)NC(=O)CCC[NH+](C)C)o1 ZINC001393970749 977990504 /nfs/dbraw/zinc/99/05/04/977990504.db2.gz ZUKOOTROPDYVQW-NEPJUHHUSA-N 2 0 296.415 1.308 10 0 CDAERP CC[NH2+]CC1(NC(=O)C2CC[NH+](C)CC2)CCCCC1 ZINC001394184214 978098686 /nfs/dbraw/zinc/09/86/86/978098686.db2.gz ABKQQEKCSHWMDZ-UHFFFAOYSA-N 2 0 281.444 1.757 10 0 CDAERP CCC[NH+]1CC([C@H](C)NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001394224918 978111710 /nfs/dbraw/zinc/11/17/10/978111710.db2.gz OUEQCTBHAQBBHM-JSGCOSHPSA-N 2 0 287.423 1.513 10 0 CDAERP CC[C@@H](C(=O)NCC1[C@H]2C[N@@H+](C/C=C/Cl)C[C@@H]12)[NH+](C)C ZINC001394342556 978136592 /nfs/dbraw/zinc/13/65/92/978136592.db2.gz PTXJKBUSYILSGM-WSTSFPEVSA-N 2 0 299.846 1.373 10 0 CDAERP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccsc1 ZINC001394559604 978202789 /nfs/dbraw/zinc/20/27/89/978202789.db2.gz NHFFMCBEZLZCNV-OCCSQVGLSA-N 2 0 295.452 1.636 10 0 CDAERP CC[NH2+][C@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001394568922 978205590 /nfs/dbraw/zinc/20/55/90/978205590.db2.gz VPPPVROOEWFVGP-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H]([NH2+]CC1CCC1)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001674721559 1173998700 /nfs/dbraw/zinc/99/87/00/1173998700.db2.gz IQAAJEKDHHOSFS-OLZOCXBDSA-N 2 0 269.433 1.611 10 0 CDAERP CCCn1cncc1C[NH2+]CCCN1CC[NH+](C)CC1 ZINC000090203958 1174140448 /nfs/dbraw/zinc/14/04/48/1174140448.db2.gz RMOOVRRBJKSCBI-UHFFFAOYSA-N 2 0 279.432 1.020 10 0 CDAERP CCC[N@H+](C)CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001570216737 1170113156 /nfs/dbraw/zinc/11/31/56/1170113156.db2.gz IRDYTAPTIMQINR-UHFFFAOYSA-N 2 0 255.406 1.273 10 0 CDAERP C[NH+](C)C1(C(=O)NC2CC(C[NH2+]C/C=C/Cl)C2)CCC1 ZINC001570564018 1170191132 /nfs/dbraw/zinc/19/11/32/1170191132.db2.gz JKUPDPRATOVZNH-QPJJXVBHSA-N 2 0 299.846 1.708 10 0 CDAERP C[NH+](C)C1(C(=O)NC2CC(C[NH2+]C/C=C\Cl)C2)CCC1 ZINC001570564017 1170191198 /nfs/dbraw/zinc/19/11/98/1170191198.db2.gz JKUPDPRATOVZNH-DAXSKMNVSA-N 2 0 299.846 1.708 10 0 CDAERP CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CC1(C)C ZINC001571565895 1170478719 /nfs/dbraw/zinc/47/87/19/1170478719.db2.gz HUBLCFUSLVYADS-ZIAGYGMSSA-N 2 0 283.460 1.953 10 0 CDAERP c1ccc2c(c1)n[nH]c2C[NH2+]CCCC[NH+]1CCOCC1 ZINC000589640992 342510795 /nfs/dbraw/zinc/51/07/95/342510795.db2.gz BGOYNQTVGWNKJV-UHFFFAOYSA-N 2 0 288.395 1.765 10 0 CDAERP CC(C)C[N@H+](C)CCCN[C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000650739928 398171226 /nfs/dbraw/zinc/17/12/26/398171226.db2.gz BXVWZYGFDPQEFA-HZPDHXFCSA-N 2 0 283.460 1.321 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCC2CC[NH2+]CC2)[C@H]2CCC[C@@H]21 ZINC000650761995 398183221 /nfs/dbraw/zinc/18/32/21/398183221.db2.gz PKEXEBROLCLJDE-PMPSAXMXSA-N 3 0 265.445 1.839 10 0 CDAERP C[NH2+]Cc1ccccc1C[NH2+][C@H](C1CC1)[C@@H]1CNCCO1 ZINC000650756136 398179342 /nfs/dbraw/zinc/17/93/42/398179342.db2.gz VHWCWZZCZVWAIS-DLBZAZTESA-N 2 0 289.423 1.263 10 0 CDAERP COC(=O)c1ccc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000601326245 342553820 /nfs/dbraw/zinc/55/38/20/342553820.db2.gz LAUYHOZZZSDXKM-FZMZJTMJSA-N 2 0 262.353 1.500 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCCc2c1ccc(=O)n2C ZINC000650764779 398185316 /nfs/dbraw/zinc/18/53/16/398185316.db2.gz NDMGZBFOXXDBIO-JSGCOSHPSA-N 2 0 277.412 1.870 10 0 CDAERP C[NH+](C)CCOCC[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000341381571 282108765 /nfs/dbraw/zinc/10/87/65/282108765.db2.gz VDUZJHDIAVTZEF-OWCLPIDISA-N 2 0 284.444 1.750 10 0 CDAERP COc1ccccc1/C=C\C[NH2+]CCN1CC[C@H](O)C1 ZINC000623837051 342047079 /nfs/dbraw/zinc/04/70/79/342047079.db2.gz VRFQDHVUYRNBGO-VOKGJARPSA-N 2 0 276.380 1.365 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000650877175 398250797 /nfs/dbraw/zinc/25/07/97/398250797.db2.gz ORHWVFUUVXQKOV-AWEZNQCLSA-N 2 0 296.459 1.500 10 0 CDAERP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)CC[N@@H+]1C ZINC000617005250 342602321 /nfs/dbraw/zinc/60/23/21/342602321.db2.gz DYGXIHYSYSMYCD-FRRDWIJNSA-N 2 0 267.417 1.316 10 0 CDAERP [NH3+]CCN1CC[NH2+][C@H](c2cccc3ncccc32)C1 ZINC000616603909 361826370 /nfs/dbraw/zinc/82/63/70/361826370.db2.gz SEKKHVXUTWWILU-HNNXBMFYSA-N 2 0 256.353 1.140 10 0 CDAERP CN(CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)CC(F)F ZINC000624328506 342154608 /nfs/dbraw/zinc/15/46/08/342154608.db2.gz UWLYQBWMPHUJTF-YNEHKIRRSA-N 2 0 275.387 1.646 10 0 CDAERP CCOC(=O)CC[N@H+](C[C@]1(C)CC[NH2+]C1)C1CC1 ZINC000592430709 342695348 /nfs/dbraw/zinc/69/53/48/342695348.db2.gz BVIYBMZAUKYBOF-CQSZACIVSA-N 2 0 254.374 1.404 10 0 CDAERP [NH3+]C1(CNCc2cccc(OC(F)F)c2)CCOCC1 ZINC000629388666 361893272 /nfs/dbraw/zinc/89/32/72/361893272.db2.gz RSNCMMDGMBTRLO-UHFFFAOYSA-N 2 0 286.322 1.886 10 0 CDAERP C[C@H](CCC(F)(F)F)[NH2+]CC1([NH3+])CCOCC1 ZINC000629389043 361893617 /nfs/dbraw/zinc/89/36/17/361893617.db2.gz ITUYMLIULPSYFH-SECBINFHSA-N 2 0 254.296 1.815 10 0 CDAERP COc1cccc(C[C@H](C)[NH2+]CC2([NH3+])CCOCC2)n1 ZINC000629389455 361894987 /nfs/dbraw/zinc/89/49/87/361894987.db2.gz XYGNRQOCBYVEIN-LBPRGKRZSA-N 2 0 279.384 1.119 10 0 CDAERP c1ccc(C[NH+]2CCC([C@@H]3COCC[NH2+]3)CC2)cc1 ZINC000096949582 185139299 /nfs/dbraw/zinc/13/92/99/185139299.db2.gz DDGVZDWRXGYFDC-INIZCTEOSA-N 2 0 260.381 1.887 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCC1CC(F)(F)C1 ZINC000423160463 536595192 /nfs/dbraw/zinc/59/51/92/536595192.db2.gz HJTDGQCEISUYCX-LLVKDONJSA-N 2 0 250.333 1.765 10 0 CDAERP CCc1noc(C2CCC([NH2+]CCOCC[NH2+]C)CC2)n1 ZINC000629402716 361941183 /nfs/dbraw/zinc/94/11/83/361941183.db2.gz DPGUESHMIPLRAC-UHFFFAOYSA-N 2 0 296.415 1.484 10 0 CDAERP CCC[C@@H](C[NH3+])[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000669377079 539072057 /nfs/dbraw/zinc/07/20/57/539072057.db2.gz FXHCWNLENRIMKJ-JKSUJKDBSA-N 2 0 262.397 1.998 10 0 CDAERP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000669530293 539062039 /nfs/dbraw/zinc/06/20/39/539062039.db2.gz ZRBZDZBNHLHMAM-SOUVJXGZSA-N 2 0 294.443 1.397 10 0 CDAERP CCOC(=O)C1([C@H](C)N[C@H]2CC[C@H](C)[NH2+]C2)CC[NH2+]CC1 ZINC000600710033 342243721 /nfs/dbraw/zinc/24/37/21/342243721.db2.gz NEUJIPYTLDKLML-IHRRRGAJSA-N 2 0 297.443 1.038 10 0 CDAERP CCOC(=O)[C@H](CC)[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000600753313 342248313 /nfs/dbraw/zinc/24/83/13/342248313.db2.gz BEZXTVBEYFEXRO-GJZGRUSLSA-N 2 0 298.427 1.419 10 0 CDAERP COC(=O)c1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)o1 ZINC000594611726 342926921 /nfs/dbraw/zinc/92/69/21/342926921.db2.gz CIBJTFXHQDMHDO-PHIMTYICSA-N 2 0 266.341 1.496 10 0 CDAERP C[NH+](C)C1(CNC(=O)[C@H]2CC[C@H]([NH3+])C2)CCCC1 ZINC000125649803 187194634 /nfs/dbraw/zinc/19/46/34/187194634.db2.gz YYHLVYGWAJTRSB-RYUDHWBXSA-N 2 0 253.390 1.104 10 0 CDAERP C[C@@H]([NH3+])C1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000111611850 365689747 /nfs/dbraw/zinc/68/97/47/365689747.db2.gz UXFPRZQHOHHTKO-GFCCVEGCSA-N 2 0 267.417 1.495 10 0 CDAERP C[NH2+]CCCNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000418312694 290650524 /nfs/dbraw/zinc/65/05/24/290650524.db2.gz UMTSDOBWIYBWHY-AWEZNQCLSA-N 2 0 282.432 1.256 10 0 CDAERP CCO[C@@]1(C)C[C@H]1[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000623677576 349724353 /nfs/dbraw/zinc/72/43/53/349724353.db2.gz DCQXOFATHVTXJP-CABCVRRESA-N 2 0 272.352 1.924 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@H](C)[C@@H]2C[C@@H]2C(=O)OC)CC1 ZINC000594919296 342986463 /nfs/dbraw/zinc/98/64/63/342986463.db2.gz HPXICZYNBIMBFY-SNPRPXQTSA-N 2 0 282.428 1.896 10 0 CDAERP C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000405049861 349778921 /nfs/dbraw/zinc/77/89/21/349778921.db2.gz UXUXUURUMWQSAS-MJBXVCDLSA-N 2 0 267.417 1.447 10 0 CDAERP CN(C(=O)CCC1CC[NH2+]CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000263158284 362112872 /nfs/dbraw/zinc/11/28/72/362112872.db2.gz DPLRYERZOGCVCO-HNNXBMFYSA-N 2 0 279.428 1.461 10 0 CDAERP [NH3+]CCCCC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000645104210 362117865 /nfs/dbraw/zinc/11/78/65/362117865.db2.gz ISIYKNWFCIFVAB-CHWSQXEVSA-N 2 0 253.390 1.106 10 0 CDAERP CCC[NH2+][C@H](C)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645104524 362118619 /nfs/dbraw/zinc/11/86/19/362118619.db2.gz OAGLGNXCSLBJLS-MCIONIFRSA-N 2 0 267.417 1.365 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCCN2CCCC2=O)[C@H](C)C1 ZINC000081096769 342365460 /nfs/dbraw/zinc/36/54/60/342365460.db2.gz UDLPNGHWLXXFKK-HUUCEWRRSA-N 2 0 281.444 1.661 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H]1CSCCc2ccccc21 ZINC000629529601 362158002 /nfs/dbraw/zinc/15/80/02/362158002.db2.gz IJDUFYWFTPSNKZ-HNNXBMFYSA-N 2 0 280.437 1.843 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000629527824 362152317 /nfs/dbraw/zinc/15/23/17/362152317.db2.gz HBENIQQJJISVOM-XLWJZTARSA-N 2 0 251.418 1.637 10 0 CDAERP C[C@H]1C[C@H](Nc2nc(N)[nH+]c3c2CCCC3)CC[N@@H+]1C ZINC000645180516 362226007 /nfs/dbraw/zinc/22/60/07/362226007.db2.gz CZAKTLNRVKGGJD-WDEREUQCSA-N 2 0 275.400 1.084 10 0 CDAERP C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@@H]3C[NH2+]C[C@@H]3O)CC2)C1 ZINC000263213544 362270410 /nfs/dbraw/zinc/27/04/10/362270410.db2.gz KNAVRFHGILBMKP-OHFALNGGSA-N 2 0 295.471 1.199 10 0 CDAERP C[C@H]1CN(C)C[C@@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446887001 362388576 /nfs/dbraw/zinc/38/85/76/362388576.db2.gz MRYVIVWUNNXYAQ-WFASDCNBSA-N 2 0 251.418 1.401 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000262276774 344697082 /nfs/dbraw/zinc/69/70/82/344697082.db2.gz JRJXYTPZSWXXLK-SOUVJXGZSA-N 2 0 281.444 1.694 10 0 CDAERP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H]2CCC[C@@H]2C2CC2)CC1 ZINC000562996401 293238791 /nfs/dbraw/zinc/23/87/91/293238791.db2.gz BOZUTLXXJRWQSA-GVDBMIGSSA-N 2 0 295.471 1.011 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)CC1([NH3+])CCCC1 ZINC000084185064 178818860 /nfs/dbraw/zinc/81/88/60/178818860.db2.gz LISZJUJXCCRULO-GFCCVEGCSA-N 2 0 255.406 1.350 10 0 CDAERP OCCN1CCCC[C@H]1C[NH2+]C[C@@H](O)CC1CCCC1 ZINC000571445197 362523394 /nfs/dbraw/zinc/52/33/94/362523394.db2.gz IEZYBIWKBHCXGB-HOTGVXAUSA-N 2 0 284.444 1.364 10 0 CDAERP CCc1ncc(C[NH2+]CCCN(C)CC[NH+](C)C)cn1 ZINC000623087506 345199889 /nfs/dbraw/zinc/19/98/89/345199889.db2.gz VLVCTRCOUNJLBQ-UHFFFAOYSA-N 2 0 279.432 1.012 10 0 CDAERP C[C@@H](C[NH2+][C@@H](C)[C@H]1CCCCO1)N1CC[NH+](C)CC1 ZINC000623888887 345623330 /nfs/dbraw/zinc/62/33/30/345623330.db2.gz XOLQIAFBJRGEQI-SOUVJXGZSA-N 2 0 269.433 1.170 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(C(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000079521438 362661467 /nfs/dbraw/zinc/66/14/67/362661467.db2.gz UGQWNFJDDFEKTC-JSGCOSHPSA-N 2 0 253.390 1.071 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)N2CCOCC2)CC1(C)C ZINC000623338548 346067453 /nfs/dbraw/zinc/06/74/53/346067453.db2.gz DZBLTUORTWKFGG-AWEZNQCLSA-N 2 0 283.460 1.560 10 0 CDAERP CC[C@@H](C)NC(=O)CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623362706 346091019 /nfs/dbraw/zinc/09/10/19/346091019.db2.gz GQYVHFMGMWCREO-CHWSQXEVSA-N 2 0 269.433 1.754 10 0 CDAERP C[C@@H](C[C@@](C)(O)C[NH3+])N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000085303247 179011140 /nfs/dbraw/zinc/01/11/40/179011140.db2.gz IFQIWJHFVUBQLB-SOUVJXGZSA-N 2 0 269.433 1.035 10 0 CDAERP [NH3+][C@H]1CCCC[C@@H]1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000085369808 179039574 /nfs/dbraw/zinc/03/95/74/179039574.db2.gz KRDWVOQWVMMQPQ-GJZGRUSLSA-N 2 0 279.428 1.591 10 0 CDAERP CCN(CCC[NH+](CC)CC)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000230712690 482558375 /nfs/dbraw/zinc/55/83/75/482558375.db2.gz NJNGWUPAJPNPRF-GJZGRUSLSA-N 2 0 283.460 1.942 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCOC[C@H]2CCCO2)CC1(C)C ZINC000623420765 346421245 /nfs/dbraw/zinc/42/12/45/346421245.db2.gz OCJSRUOAISWTTO-UONOGXRCSA-N 2 0 270.417 1.644 10 0 CDAERP C[C@H]([NH2+]CCC(=O)N1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000584774388 346429306 /nfs/dbraw/zinc/42/93/06/346429306.db2.gz PUBMZGKLOFBRDB-UONOGXRCSA-N 2 0 267.417 1.367 10 0 CDAERP CCn1cnnc1CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623423465 346468716 /nfs/dbraw/zinc/46/87/16/346468716.db2.gz HOHSDJDCQNJRHV-GFCCVEGCSA-N 2 0 265.405 1.303 10 0 CDAERP CCc1nc2c(n1CC[NH+](CC)CC)CC[NH2+]C2 ZINC000085569379 179096145 /nfs/dbraw/zinc/09/61/45/179096145.db2.gz GQJVURWZBSLIFO-UHFFFAOYSA-N 2 0 250.390 1.433 10 0 CDAERP CCC1(CC)C[N@H+](CCn2cccn2)CCC[NH2+]1 ZINC000085617473 179103633 /nfs/dbraw/zinc/10/36/33/179103633.db2.gz AGFPXUCVPJZDHN-UHFFFAOYSA-N 2 0 250.390 1.737 10 0 CDAERP CCc1ccc([C@H](CNC(=O)C2C[NH2+]C2)[NH+](C)C)cc1 ZINC000263305175 362765550 /nfs/dbraw/zinc/76/55/50/362765550.db2.gz OFPYOYKBVAPZCV-HNNXBMFYSA-N 2 0 275.396 1.187 10 0 CDAERP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(-c2cnn(C)c2)no1 ZINC000566244262 370657910 /nfs/dbraw/zinc/65/79/10/370657910.db2.gz HACUSSVLYVSSMU-QWRGUYRKSA-N 2 0 275.356 1.244 10 0 CDAERP CC[C@@](CN)(C1CC1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000086120411 179234705 /nfs/dbraw/zinc/23/47/05/179234705.db2.gz CWWRUZIFNPMXQQ-OAHLLOKOSA-N 2 0 253.434 1.778 10 0 CDAERP CC[C@H](C)[C@@H]1CN(C[C@@H]2CCC[N@H+](C)C2)CC[NH2+]1 ZINC000086145750 179238621 /nfs/dbraw/zinc/23/86/21/179238621.db2.gz BGKLZJIVGXRPLL-ZNMIVQPWSA-N 2 0 253.434 1.648 10 0 CDAERP C1CCC([C@H]2CN([C@@H]3C[NH+]4CCC3CC4)CC[NH2+]2)CC1 ZINC000086124888 179235790 /nfs/dbraw/zinc/23/57/90/179235790.db2.gz SDFGRAQGNJKAPS-IAGOWNOFSA-N 2 0 277.456 1.935 10 0 CDAERP CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086152497 179240879 /nfs/dbraw/zinc/24/08/79/179240879.db2.gz QRHXVIKIPNCFRE-BZUAXINKSA-N 2 0 265.445 1.789 10 0 CDAERP CC[NH+]1CCC(C[N@@H+]2CCN[C@](C)(C3CC3)C2)CC1 ZINC000086145704 179239236 /nfs/dbraw/zinc/23/92/36/179239236.db2.gz ZGCHTKPUCHQCOG-INIZCTEOSA-N 2 0 265.445 1.792 10 0 CDAERP CC[N@@H+]1CC[C@H](CN2C[C@@](C)(C3CC3)[NH2+]C[C@@H]2C)C1 ZINC000086223010 179250775 /nfs/dbraw/zinc/25/07/75/179250775.db2.gz OUAWZOHIIUVDMM-DZKIICNBSA-N 2 0 265.445 1.791 10 0 CDAERP CO[C@]1(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CCOC1 ZINC000623493123 347602807 /nfs/dbraw/zinc/60/28/07/347602807.db2.gz WLXIIBOQACVRQT-JSGCOSHPSA-N 2 0 256.390 1.254 10 0 CDAERP CC[C@@H]1CN([C@@H]2CC[N@@H+](C3CC3)C2)[C@@H](CC)C[NH2+]1 ZINC000086259652 179259339 /nfs/dbraw/zinc/25/93/39/179259339.db2.gz UYHKONLTNKCAFF-VNHYZAJKSA-N 2 0 251.418 1.686 10 0 CDAERP C[C@H]1C[NH2+][C@](C)(C2CC2)CN1C[C@@H]1CCC[N@H+](C)C1 ZINC000086259216 179257626 /nfs/dbraw/zinc/25/76/26/179257626.db2.gz INUFBLDPMYLASF-LZWOXQAQSA-N 2 0 265.445 1.791 10 0 CDAERP Cn1nnc2c1CC[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C2 ZINC000623561495 347633744 /nfs/dbraw/zinc/63/37/44/347633744.db2.gz PAINNEVLQMPNIP-NEPJUHHUSA-N 2 0 277.416 1.135 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000623565496 347635186 /nfs/dbraw/zinc/63/51/86/347635186.db2.gz PGUHWXSDFDTDBK-BFHYXJOUSA-N 2 0 280.416 1.007 10 0 CDAERP CC(C)C[C@@H]([NH3+])CN1CCC([N@H+](C)CCCO)CC1 ZINC000414689165 365912825 /nfs/dbraw/zinc/91/28/25/365912825.db2.gz FIQZBBYJVAWIHK-CQSZACIVSA-N 2 0 271.449 1.138 10 0 CDAERP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cn2ccnc2)C1 ZINC000073035950 349147733 /nfs/dbraw/zinc/14/77/33/349147733.db2.gz IWXBLBGXKUZUMA-CYBMUJFWSA-N 2 0 278.400 1.510 10 0 CDAERP COc1ccc([C@H](C)[NH2+]CCOCCC[NH3+])cc1OC ZINC000629536193 362951068 /nfs/dbraw/zinc/95/10/68/362951068.db2.gz FBCIYBGUMIGJJF-LBPRGKRZSA-N 2 0 282.384 1.720 10 0 CDAERP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000106917131 186151470 /nfs/dbraw/zinc/15/14/70/186151470.db2.gz RPLINYJGOULRGC-CVEARBPZSA-N 2 0 289.423 1.322 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000629548345 362976697 /nfs/dbraw/zinc/97/66/97/362976697.db2.gz NTNOTKBORXXQNB-YQFWSFKMSA-N 2 0 288.439 1.632 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CC)C[C@H]2C)CC[N@@H+]1C ZINC000631470615 362977525 /nfs/dbraw/zinc/97/75/25/362977525.db2.gz ZVSRMMQTKOEDQA-QKPAOTATSA-N 2 0 295.471 1.905 10 0 CDAERP O=C(CC[C@@H]1CCC[NH2+]C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000621655588 350693751 /nfs/dbraw/zinc/69/37/51/350693751.db2.gz SINMMJGEZIOJBA-MELADBBJSA-N 2 0 265.401 1.119 10 0 CDAERP [NH3+][C@]12CCC[C@@H]1CN(C(=O)[C@@H]1C[C@H]3CCCC[C@@H]3[NH2+]1)C2 ZINC000621683752 350715896 /nfs/dbraw/zinc/71/58/96/350715896.db2.gz APRJXHHXGXGJIF-NJURLYQPSA-N 2 0 277.412 1.247 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)[C@H]1OC ZINC000628238961 362983968 /nfs/dbraw/zinc/98/39/68/362983968.db2.gz WVULVXGJCYTTJL-IGQOVBAYSA-N 2 0 270.417 1.641 10 0 CDAERP CCC[N@H+](CCc1ccnn1CC)C1CC[NH2+]CC1 ZINC000621775812 350771878 /nfs/dbraw/zinc/77/18/78/350771878.db2.gz ZMNWULUHCZVXTN-UHFFFAOYSA-N 2 0 264.417 1.910 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC1CC([NH+](C)C)C1 ZINC000622009759 350933341 /nfs/dbraw/zinc/93/33/41/350933341.db2.gz JINUQODIXKEEPP-BPCQOVAHSA-N 2 0 253.390 1.070 10 0 CDAERP Cc1nc(C)c(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)o1 ZINC000628240461 362996578 /nfs/dbraw/zinc/99/65/78/362996578.db2.gz GHMCOXQSMDQRRE-GFCCVEGCSA-N 2 0 280.416 1.407 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000333523480 363009646 /nfs/dbraw/zinc/00/96/46/363009646.db2.gz GYKWKFLDOCYGDZ-WYTNZGFTSA-N 2 0 280.416 1.133 10 0 CDAERP COC(=O)C1CCC([NH2+][C@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000414941842 290941846 /nfs/dbraw/zinc/94/18/46/290941846.db2.gz MCFZBKIKMGVQAC-XVSSEFHLSA-N 2 0 254.374 1.306 10 0 CDAERP C[C@@H](NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)[C@H](C)[NH3+] ZINC000659548827 412574546 /nfs/dbraw/zinc/57/45/46/412574546.db2.gz KENVZNZJWRCWAK-CTHBEMJXSA-N 2 0 290.411 1.167 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2ccn(C)c2)CC1 ZINC000629650669 363250666 /nfs/dbraw/zinc/25/06/66/363250666.db2.gz YUPKRKHAVLHIQK-UHFFFAOYSA-N 2 0 292.427 1.105 10 0 CDAERP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CC2=CCCOC2)C1 ZINC000629650342 363249948 /nfs/dbraw/zinc/24/99/48/363249948.db2.gz RYBDESJOJNMHFE-BZUAXINKSA-N 2 0 280.412 1.694 10 0 CDAERP Cc1nc(C)c(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)o1 ZINC000628260920 363282031 /nfs/dbraw/zinc/28/20/31/363282031.db2.gz BDZLXCVHRRMYDI-UHFFFAOYSA-N 2 0 280.416 1.407 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](CO)CC2)[C@H]2CCC[C@H]21 ZINC000453135727 283142950 /nfs/dbraw/zinc/14/29/50/283142950.db2.gz KAGQXJZLZZTXIL-DGXTUMSLSA-N 2 0 266.429 2.000 10 0 CDAERP c1ccc(CC[NH+]2CCN(C[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000019933669 356517436 /nfs/dbraw/zinc/51/74/36/356517436.db2.gz GYDLYWZZHZBONS-KRWDZBQOSA-N 2 0 273.424 1.599 10 0 CDAERP C[NH+](C)[C@@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1(C)C ZINC000636093721 363495008 /nfs/dbraw/zinc/49/50/08/363495008.db2.gz YPXDJLUIMUAYII-RWMBFGLXSA-N 2 0 267.417 1.316 10 0 CDAERP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)CC[N@@H+]1C ZINC000636109210 363538485 /nfs/dbraw/zinc/53/84/85/363538485.db2.gz GZOXYEXROWKLSV-FDYHWXHSSA-N 2 0 267.417 1.172 10 0 CDAERP [NH3+][C@H]1CCC[C@@H](C(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000070576926 356900177 /nfs/dbraw/zinc/90/01/77/356900177.db2.gz PUGXQWSJFGCFNP-KGLIPLIRSA-N 2 0 279.428 1.591 10 0 CDAERP C[NH+](C)CC1CCC([NH2+]C[C@@H](O)C[C@@](C)(O)C2CC2)CC1 ZINC000634710527 357405045 /nfs/dbraw/zinc/40/50/45/357405045.db2.gz ZZJSBLCFUSUSCL-MHVXSEJMSA-N 2 0 298.471 1.608 10 0 CDAERP Cc1cc(C[NH2+]CC2(O)CC[NH+](C)CC2)cs1 ZINC000295878940 357570059 /nfs/dbraw/zinc/57/00/59/357570059.db2.gz XVDJLEKNPXCOPR-UHFFFAOYSA-N 2 0 254.399 1.603 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)C=C2CC[NH2+]CC2)C1 ZINC000852858365 684843281 /nfs/dbraw/zinc/84/32/81/684843281.db2.gz ZZGKFVKZXXEVDN-CQSZACIVSA-N 2 0 265.401 1.239 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000251100361 140307114 /nfs/dbraw/zinc/30/71/14/140307114.db2.gz MUMYSEIRULHXIM-JHJVBQTASA-N 2 0 253.390 1.104 10 0 CDAERP COC(=O)[C@H]1C[C@@H]([N@H+](C)CC[C@H]2CCC[NH2+]C2)C1 ZINC000595905318 358651643 /nfs/dbraw/zinc/65/16/43/358651643.db2.gz UEAQKDYQLCEMOG-UPJWGTAASA-N 2 0 254.374 1.260 10 0 CDAERP C(C[NH+]1CCCC1)C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000162314927 358837532 /nfs/dbraw/zinc/83/75/32/358837532.db2.gz NWDRRGQBMWAEGF-HUUCEWRRSA-N 2 0 252.402 1.973 10 0 CDAERP Cc1cccc2ncc(CN3CC[C@H]4C[N@@H+](C)C[C@@H]43)n21 ZINC000644838210 358908402 /nfs/dbraw/zinc/90/84/02/358908402.db2.gz AVKIIBORUKMXBT-ZFWWWQNUSA-N 2 0 270.380 1.779 10 0 CDAERP c1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)cc1 ZINC000261889119 359079175 /nfs/dbraw/zinc/07/91/75/359079175.db2.gz GGXVRXKBUYPIKM-BRWVUGGUSA-N 2 0 274.408 1.976 10 0 CDAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H]2C2CC2)CC1 ZINC000328600309 359079919 /nfs/dbraw/zinc/07/99/19/359079919.db2.gz WRYCWLUXAAHHDV-INIZCTEOSA-N 2 0 265.445 1.887 10 0 CDAERP C[C@@H]1CCC[N@@H+](C(C)(C)CNC2=[NH+]CCCN2)C1 ZINC000261895959 359081468 /nfs/dbraw/zinc/08/14/68/359081468.db2.gz UWSXLQAECJMLSY-GFCCVEGCSA-N 2 0 252.406 1.436 10 0 CDAERP C[C@@]1(C[NH+]2CCC(Nc3cccnn3)CC2)CC[NH2+]C1 ZINC000261936392 359095603 /nfs/dbraw/zinc/09/56/03/359095603.db2.gz DGVKZLOXXBIFPR-OAHLLOKOSA-N 2 0 275.400 1.353 10 0 CDAERP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCc1nnc2ccccn21 ZINC000057653173 359105126 /nfs/dbraw/zinc/10/51/26/359105126.db2.gz BAWRKQALHLTCPZ-FRRDWIJNSA-N 2 0 273.384 1.548 10 0 CDAERP C[C@@]1(CN2CC[C@@H](C[NH+]3CCCCC3)C2)CC[NH2+]C1 ZINC000261991576 359116836 /nfs/dbraw/zinc/11/68/36/359116836.db2.gz KGXALFPGVXEFLL-JKSUJKDBSA-N 2 0 265.445 1.794 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NCc1cncc(Br)c1 ZINC000335256367 359126029 /nfs/dbraw/zinc/12/60/29/359126029.db2.gz OSMDHKGKPKEXFB-SKDRFNHKSA-N 2 0 284.201 1.932 10 0 CDAERP C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000263107222 359230985 /nfs/dbraw/zinc/23/09/85/359230985.db2.gz AARIJFDRQSRHST-YCPHGPKFSA-N 2 0 279.428 1.591 10 0 CDAERP CC[NH+](CC)CCN1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000119925075 359452909 /nfs/dbraw/zinc/45/29/09/359452909.db2.gz UHCAJAOXRRNODZ-UHFFFAOYSA-N 2 0 293.459 1.270 10 0 CDAERP Cn1cc(CC[NH2+][C@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cn1 ZINC000375839297 359630108 /nfs/dbraw/zinc/63/01/08/359630108.db2.gz LYFLUSYOMBJRNH-QLFBSQMISA-N 2 0 262.401 1.425 10 0 CDAERP CC[NH+](CC)CCNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113576346 359645549 /nfs/dbraw/zinc/64/55/49/359645549.db2.gz PZHMXUPUPDHRIS-UONOGXRCSA-N 2 0 282.432 1.206 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)C(=O)NCc1ccccc1 ZINC000422925789 359678496 /nfs/dbraw/zinc/67/84/96/359678496.db2.gz BSQSBPKVOGYMFA-ZFWWWQNUSA-N 2 0 293.411 1.035 10 0 CDAERP c1ccc(C[C@@H]2C[C@@H]2[NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)cc1 ZINC000422926628 359679470 /nfs/dbraw/zinc/67/94/70/359679470.db2.gz XDLJMSJVILEIST-OWSLCNJRSA-N 2 0 286.419 1.974 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCc1cccc(F)c1F ZINC000422952090 359712984 /nfs/dbraw/zinc/71/29/84/359712984.db2.gz BQCZHHIIHDWMLU-GFCCVEGCSA-N 2 0 272.339 1.851 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C2CCC(C(N)=O)CC2)[C@@H]2CCC[C@H]21 ZINC000560521404 359737531 /nfs/dbraw/zinc/73/75/31/359737531.db2.gz MMXRCFFLNYAUJK-QXRZNBQRSA-N 2 0 279.428 1.493 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2C)C12CCC2 ZINC000423392697 359785272 /nfs/dbraw/zinc/78/52/72/359785272.db2.gz LSRBOLSYLFMFQC-XDQVBPFNSA-N 2 0 252.402 1.922 10 0 CDAERP CC[NH+](CC)CC1CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC000336798922 359856162 /nfs/dbraw/zinc/85/61/62/359856162.db2.gz GVIGNXJJWWVRGA-AWEZNQCLSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)[NH+]1CCC(N2CC[NH+](CC[C@@H](C)O)CC2)CC1 ZINC000336826708 359897530 /nfs/dbraw/zinc/89/75/30/359897530.db2.gz TZFOBXACEVXLPD-OAHLLOKOSA-N 2 0 283.460 1.248 10 0 CDAERP CC[N@@H+]1CC[C@H](C[NH2+]C2CC(CC(=O)OC)C2)C1 ZINC000424265266 359984172 /nfs/dbraw/zinc/98/41/72/359984172.db2.gz JRCCAUQXDKJLKQ-PNESKVBLSA-N 2 0 254.374 1.260 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)NC2CC[NH+](C)CC2)CC1 ZINC000121756947 360260142 /nfs/dbraw/zinc/26/01/42/360260142.db2.gz ZBVDVWOVZMUXPL-UHFFFAOYSA-N 2 0 296.459 1.500 10 0 CDAERP C[C@@H]1C[C@@H](N(C)CC[NH+]2CCCCC2)CC[N@@H+]1C ZINC000123624865 139788404 /nfs/dbraw/zinc/78/84/04/139788404.db2.gz QVMSWXBLFTXOFR-CABCVRRESA-N 2 0 253.434 1.887 10 0 CDAERP CN(CC12CC(C1)C[NH2+]2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000634991911 360618321 /nfs/dbraw/zinc/61/83/21/360618321.db2.gz WQLXJHUQAQTJGE-LXPRWKDFSA-N 2 0 285.435 1.945 10 0 CDAERP c1ccc([C@H]2CC[NH2+]C[C@H]2NCC23CC(C2)C[NH2+]3)cc1 ZINC000634996313 360625689 /nfs/dbraw/zinc/62/56/89/360625689.db2.gz GIVIAZFBZCAUNQ-JCUPBUFNSA-N 2 0 271.408 1.474 10 0 CDAERP C[C@H]1C[N@H+](Cc2cn(C)nc2C(C)(C)C)C[C@H]1C[NH3+] ZINC000634998211 360635160 /nfs/dbraw/zinc/63/51/60/360635160.db2.gz CFLGESFZYIPTDP-NWDGAFQWSA-N 2 0 264.417 1.744 10 0 CDAERP COc1cc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cc(OC)c1 ZINC000635000381 360641065 /nfs/dbraw/zinc/64/10/65/360641065.db2.gz NDLIHSIQAHILBZ-AAEUAGOBSA-N 2 0 264.369 1.730 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)C[NH2+]1 ZINC000626940658 360671798 /nfs/dbraw/zinc/67/17/98/360671798.db2.gz SNNKOVARDBIYAG-ZOBORPQBSA-N 2 0 280.416 1.053 10 0 CDAERP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cnnn2)c1)[C@H](C)[NH3+] ZINC000643539776 361256465 /nfs/dbraw/zinc/25/64/65/361256465.db2.gz IEJANRFPWBBBBW-AXFHLTTASA-N 2 0 260.345 1.049 10 0 CDAERP C[C@H](CC(=O)N1[C@H](C)C[NH+](C)C[C@H]1C)n1ccnc1 ZINC000566304491 370678549 /nfs/dbraw/zinc/67/85/49/370678549.db2.gz JZXPGQHXIIMATK-JHJVBQTASA-N 2 0 264.373 1.385 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1C1CCCC1 ZINC000628966173 361362522 /nfs/dbraw/zinc/36/25/22/361362522.db2.gz XGLALTMTIDRHDK-AWEZNQCLSA-N 2 0 267.417 1.461 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1[NH2+]CC1(C)C)C1CCCCC1 ZINC000645774425 361388067 /nfs/dbraw/zinc/38/80/67/361388067.db2.gz ZQQYHWWMZNHGOU-CYBMUJFWSA-N 2 0 267.417 1.365 10 0 CDAERP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000644080637 363787851 /nfs/dbraw/zinc/78/78/51/363787851.db2.gz XDKZIYAFEAHSPF-HZSPNIEDSA-N 2 0 267.417 1.542 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000644077101 363778586 /nfs/dbraw/zinc/77/85/86/363778586.db2.gz FMOYLCPOVDRCHK-ZWNOBZJWSA-N 2 0 297.349 1.567 10 0 CDAERP CNC(=O)c1ccc(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000336621407 363879379 /nfs/dbraw/zinc/87/93/79/363879379.db2.gz VCWYMYWVYTXJTI-CABCVRRESA-N 2 0 273.380 1.230 10 0 CDAERP c1[nH+]cn2cc(C[NH2+][C@H](C3CC3)[C@@H]3CNCCO3)ccc12 ZINC000566555687 370762726 /nfs/dbraw/zinc/76/27/26/370762726.db2.gz MRFGYUAAKRFWMK-JKSUJKDBSA-N 2 0 286.379 1.191 10 0 CDAERP CCN(C(=O)C[NH+](C)C1CCC1)[C@@H]1CC[N@H+](C)C1 ZINC000630016940 364429519 /nfs/dbraw/zinc/42/95/19/364429519.db2.gz OPXMVCXDNHEQLI-CYBMUJFWSA-N 2 0 253.390 1.023 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCN2CCOCC2(C)C)[C@@H]2CCC[C@@H]21 ZINC000367598821 364529323 /nfs/dbraw/zinc/52/93/23/364529323.db2.gz GLMKLXNBTCAGML-JYJNAYRXSA-N 2 0 295.471 1.560 10 0 CDAERP CCCCOCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001661041224 1172325941 /nfs/dbraw/zinc/32/59/41/1172325941.db2.gz GRABEHRQUBSICQ-HNNXBMFYSA-N 2 0 297.443 1.089 10 0 CDAERP CCn1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1=O ZINC000353603109 365328154 /nfs/dbraw/zinc/32/81/54/365328154.db2.gz FUZRGJBIPRQKSX-BZUAXINKSA-N 2 0 289.423 1.831 10 0 CDAERP COCC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353530326 365280972 /nfs/dbraw/zinc/28/09/72/365280972.db2.gz SCLVLIJXDUSIDG-XGUBFFRZSA-N 2 0 270.417 1.236 10 0 CDAERP CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)C1 ZINC000641279209 365292950 /nfs/dbraw/zinc/29/29/50/365292950.db2.gz PGHJDYLEARRCBA-MGPQQGTHSA-N 2 0 282.432 1.156 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000136460409 482918775 /nfs/dbraw/zinc/91/87/75/482918775.db2.gz OADOPKVMYPBOBC-KGLIPLIRSA-N 2 0 267.417 1.447 10 0 CDAERP CCC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001661127974 1172339347 /nfs/dbraw/zinc/33/93/47/1172339347.db2.gz VIECSQUAZSEDHK-BNOWGMLFSA-N 2 0 267.417 1.221 10 0 CDAERP C([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)[C@@H]1CCC[NH2+]C1 ZINC000414827281 367048544 /nfs/dbraw/zinc/04/85/44/367048544.db2.gz KGSVNDRPXSCXMQ-XJFOESAGSA-N 2 0 250.386 1.533 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)C[NH2+]1 ZINC000627022294 367245168 /nfs/dbraw/zinc/24/51/68/367245168.db2.gz COBSQSDSTYOQCN-HZSPNIEDSA-N 2 0 296.459 1.547 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000357860150 367261763 /nfs/dbraw/zinc/26/17/63/367261763.db2.gz OGGYOVGNRBRUSA-UYSNPLJNSA-N 2 0 293.455 1.994 10 0 CDAERP C[C@H](NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[C@@H]1CCC[NH2+]C1 ZINC000627068222 367338308 /nfs/dbraw/zinc/33/83/08/367338308.db2.gz IDMGSLKSYCHVBI-LQKXBSAESA-N 2 0 294.443 1.016 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)NCC2([NH3+])CCCCCC2)C[NH2+]1 ZINC000627063855 367321901 /nfs/dbraw/zinc/32/19/01/367321901.db2.gz UUHKJMIEOHPMGN-OLZOCXBDSA-N 2 0 282.432 1.478 10 0 CDAERP CCC[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccccn1 ZINC000346976506 283928876 /nfs/dbraw/zinc/92/88/76/283928876.db2.gz FPPLQARWCIFECW-AWEZNQCLSA-N 2 0 277.412 1.969 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000627113305 367466318 /nfs/dbraw/zinc/46/63/18/367466318.db2.gz VLBXUVXMXXHHPG-DGAVXFQQSA-N 2 0 280.416 1.053 10 0 CDAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3[NH2+]CCCC3(C)C)CC[C@@H]21 ZINC000234329880 367608313 /nfs/dbraw/zinc/60/83/13/367608313.db2.gz IKHWLDJFXFWTHL-ILXRZTDVSA-N 2 0 293.455 1.707 10 0 CDAERP [NH3+]CCNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000416892197 242214307 /nfs/dbraw/zinc/21/43/07/242214307.db2.gz AQLYJUBQDAHRIY-UHFFFAOYSA-N 2 0 290.411 1.430 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000417011309 242266434 /nfs/dbraw/zinc/26/64/34/242266434.db2.gz RLWWYVCOGZMELS-FRRDWIJNSA-N 2 0 270.421 1.095 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)C[NH2+]1 ZINC000627208669 367705810 /nfs/dbraw/zinc/70/58/10/367705810.db2.gz BLLKSOSMQMPNFE-SNPRPXQTSA-N 2 0 294.443 1.158 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C[NH2+]1 ZINC000627200894 367693817 /nfs/dbraw/zinc/69/38/17/367693817.db2.gz VDFCFFXVRMQDBP-RQJABVFESA-N 2 0 280.416 1.005 10 0 CDAERP CC[NH+](CC)CC[C@H](CO)NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000567060965 370871343 /nfs/dbraw/zinc/87/13/43/370871343.db2.gz HXXNZHGSBXINOJ-RBSFLKMASA-N 2 0 299.459 1.068 10 0 CDAERP CC[NH+](CC)CCCN1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528727926 367956810 /nfs/dbraw/zinc/95/68/10/367956810.db2.gz XJUBGBPDGAOURT-UHFFFAOYSA-N 2 0 297.487 1.905 10 0 CDAERP C[C@H](CNC(=O)C1=CC[C@@H]([NH3+])C1)C[NH+]1CCCCC1 ZINC000638077686 368105932 /nfs/dbraw/zinc/10/59/32/368105932.db2.gz VKNNYDZDIORFJR-TZMCWYRMSA-N 2 0 265.401 1.272 10 0 CDAERP CCN(CC)C(=O)CCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925594468 684868113 /nfs/dbraw/zinc/86/81/13/684868113.db2.gz CWJPXJWOAREZQO-CQSZACIVSA-N 2 0 281.444 1.899 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@H]2CCC[NH2+]C2)cc1 ZINC000418384503 243011719 /nfs/dbraw/zinc/01/17/19/243011719.db2.gz OVDGTTIUOPBXDP-RISCZKNCSA-N 2 0 276.384 1.258 10 0 CDAERP Cc1cnccc1NC(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638098842 368335130 /nfs/dbraw/zinc/33/51/30/368335130.db2.gz PRMCSQQRWLIDGA-HNNXBMFYSA-N 2 0 298.390 1.210 10 0 CDAERP CCC([NH3+])(CC)CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000418443598 243084469 /nfs/dbraw/zinc/08/44/69/243084469.db2.gz VEPFANUYMZBJJH-GFCCVEGCSA-N 2 0 268.405 1.040 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000418460439 243106877 /nfs/dbraw/zinc/10/68/77/243106877.db2.gz KCJWNNXAAOKPOO-HUBLWGQQSA-N 2 0 290.411 1.504 10 0 CDAERP [NH3+]CCN(CCc1ccccc1)C(=O)NCC1([NH3+])CCC1 ZINC000418506397 243156340 /nfs/dbraw/zinc/15/63/40/243156340.db2.gz GLJJBHREWBVXKV-UHFFFAOYSA-N 2 0 290.411 1.081 10 0 CDAERP CC(C)CC[C@H]([NH3+])C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000638115278 368476067 /nfs/dbraw/zinc/47/60/67/368476067.db2.gz GJQGSAXERKEXBF-MJBXVCDLSA-N 2 0 267.417 1.445 10 0 CDAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000418569303 243223344 /nfs/dbraw/zinc/22/33/44/243223344.db2.gz HVZYKNCHHZFULT-WQKZHXONSA-N 2 0 294.443 1.251 10 0 CDAERP COC(=O)[C@@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C[C@H]1C ZINC000261999267 284060881 /nfs/dbraw/zinc/06/08/81/284060881.db2.gz LCZJAKXCLNJRFT-BZPMIXESSA-N 2 0 254.374 1.117 10 0 CDAERP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccsc1)[C@H](C)[NH3+] ZINC000418693617 243347362 /nfs/dbraw/zinc/34/73/62/243347362.db2.gz HAKFPWYGVZEQHE-NWDGAFQWSA-N 2 0 298.456 1.557 10 0 CDAERP C[C@@H](NC(=O)N1CCC(CCC[NH+](C)C)CC1)[C@H](C)[NH3+] ZINC000418729275 243382718 /nfs/dbraw/zinc/38/27/18/243382718.db2.gz QWRXRPCLRWVYND-QWHCGFSZSA-N 2 0 284.448 1.486 10 0 CDAERP CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000418736949 243390096 /nfs/dbraw/zinc/39/00/96/243390096.db2.gz YVMUSPVFEPYHQO-OLZOCXBDSA-N 2 0 270.421 1.240 10 0 CDAERP CCCC[N@H+](C)CC1CCN(C(=O)N[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000418706417 243360384 /nfs/dbraw/zinc/36/03/84/243360384.db2.gz SNHPPCZGERTELR-KGLIPLIRSA-N 2 0 298.475 1.876 10 0 CDAERP C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CCN(C)c1cc[nH+]cc1 ZINC000541854369 368686755 /nfs/dbraw/zinc/68/67/55/368686755.db2.gz NTVUAILFKRHMEN-KBPBESRZSA-N 2 0 290.411 1.459 10 0 CDAERP C[C@@H]([NH2+]CCSCC(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000423011631 296126523 /nfs/dbraw/zinc/12/65/23/296126523.db2.gz BGHJIWIEKDXRGJ-RKDXNWHRSA-N 2 0 256.337 1.870 10 0 CDAERP CO[C@H]1CN(Cc2cccc(F)c2)[C@@](C)(C[NH3+])C1 ZINC000630358927 368785808 /nfs/dbraw/zinc/78/58/08/368785808.db2.gz CTRSJUSIHPPMNU-ZIAGYGMSSA-N 2 0 252.333 1.764 10 0 CDAERP [NH3+]CCC[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000420399438 244200269 /nfs/dbraw/zinc/20/02/69/244200269.db2.gz HUTCSJHDGHWQEA-HNNXBMFYSA-N 2 0 262.353 1.847 10 0 CDAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)CCC1C[NH2+]C1 ZINC000638300904 369285959 /nfs/dbraw/zinc/28/59/59/369285959.db2.gz HIANXTMVCLWYPL-AWEZNQCLSA-N 2 0 289.423 1.623 10 0 CDAERP CO[C@](C)(CO)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000655784364 412777838 /nfs/dbraw/zinc/77/78/38/412777838.db2.gz BPMMWWXRBJWRPU-INIZCTEOSA-N 2 0 284.444 1.771 10 0 CDAERP C[N@@H+]1CC[C@@H](CNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000368054872 369338761 /nfs/dbraw/zinc/33/87/61/369338761.db2.gz MZNGTWJGEDTJSI-SWLSCSKDSA-N 2 0 285.407 1.267 10 0 CDAERP [NH3+]Cc1cccc(-n2cc([C@H]3CCC[NH2+]C3)nn2)c1 ZINC000630607236 369380873 /nfs/dbraw/zinc/38/08/73/369380873.db2.gz DUYQZUGMIVYSPD-LBPRGKRZSA-N 2 0 257.341 1.193 10 0 CDAERP [NH3+]Cc1ccc(-c2cn(CC[NH+]3CCCC3)nn2)cc1 ZINC000630618281 369433704 /nfs/dbraw/zinc/43/37/04/369433704.db2.gz TXKGGERAXGVQKE-UHFFFAOYSA-N 2 0 271.368 1.500 10 0 CDAERP CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]CCCF)C1)[NH+]1CCCCC1 ZINC001661422375 1172388124 /nfs/dbraw/zinc/38/81/24/1172388124.db2.gz WJURVNMVFOEDLJ-HDJSIYSDSA-N 2 0 299.434 1.847 10 0 CDAERP C[C@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)[NH+]1CCC(C)CC1 ZINC000170834770 369698768 /nfs/dbraw/zinc/69/87/68/369698768.db2.gz LVDUMPIQALAIOD-HUUCEWRRSA-N 2 0 296.459 1.452 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638401159 369752225 /nfs/dbraw/zinc/75/22/25/369752225.db2.gz POMPUKSNUIDBML-DGCLKSJQSA-N 2 0 265.401 1.271 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H](C)C[NH+]2CCCCC2)C1 ZINC000249758161 370182781 /nfs/dbraw/zinc/18/27/81/370182781.db2.gz JGZZNXAZLAWSOQ-HUUCEWRRSA-N 2 0 296.459 1.644 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)C1CC1 ZINC000249994922 370190695 /nfs/dbraw/zinc/19/06/95/370190695.db2.gz PLBYPPSRMCYEHQ-BNOWGMLFSA-N 2 0 265.401 1.118 10 0 CDAERP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCOCCOc1ccccc1 ZINC000565155775 370362201 /nfs/dbraw/zinc/36/22/01/370362201.db2.gz FXTAMLILOVJNBL-LSDHHAIUSA-N 2 0 278.396 1.894 10 0 CDAERP C[N@H+](CCn1cccn1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000565366529 370429724 /nfs/dbraw/zinc/42/97/24/370429724.db2.gz UDUPCTWTDPMJHY-UHFFFAOYSA-N 2 0 270.380 1.661 10 0 CDAERP C[C@@H](CCCC[NH3+])NC(=O)NCC1([NH3+])CCCCCC1 ZINC000418280657 370412177 /nfs/dbraw/zinc/41/21/77/370412177.db2.gz BLFAQXHMSKAKQD-ZDUSSCGKSA-N 2 0 284.448 1.855 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)NC(C)(C)CC[NH3+])CC1 ZINC000422603893 245129407 /nfs/dbraw/zinc/12/94/07/245129407.db2.gz MYORFSPQSPNUOL-UHFFFAOYSA-N 2 0 284.448 1.533 10 0 CDAERP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCCN1CCCC1=O ZINC000422754879 245218396 /nfs/dbraw/zinc/21/83/96/245218396.db2.gz AZSZHBZTCAGDMY-CHWSQXEVSA-N 2 0 253.390 1.249 10 0 CDAERP CC[C@@H]1CCC[C@@H]1C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000567697926 371106387 /nfs/dbraw/zinc/10/63/87/371106387.db2.gz QINNDJKZYVKBIP-BZUAXINKSA-N 2 0 283.460 1.011 10 0 CDAERP [NH3+]CCc1nc(C(=O)NCC2([NH3+])CCCCCC2)cs1 ZINC000376561649 371272014 /nfs/dbraw/zinc/27/20/14/371272014.db2.gz MZPCOLXMARATBR-UHFFFAOYSA-N 2 0 296.440 1.426 10 0 CDAERP CC(C)(O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000377568851 371585221 /nfs/dbraw/zinc/58/52/21/371585221.db2.gz SCOLNLMPFDZRNA-UHFFFAOYSA-N 2 0 270.417 1.192 10 0 CDAERP CC(C)n1ncnc1CN1CC[C@H](c2nccn2C)C1 ZINC000575119815 371748193 /nfs/dbraw/zinc/74/81/93/371748193.db2.gz RCGXOWDWLNIYLI-LBPRGKRZSA-N 2 0 274.372 1.582 10 0 CDAERP C[C@@H]1C[N@@H+](C2CCN(C(=O)N(C)C)CC2)C[C@@]1(C)C[NH3+] ZINC000335348346 371797560 /nfs/dbraw/zinc/79/75/60/371797560.db2.gz GPAUTDMFFDKKHZ-IUODEOHRSA-N 2 0 282.432 1.049 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCNC(=O)c1ccccc1 ZINC000422912433 245399868 /nfs/dbraw/zinc/39/98/68/245399868.db2.gz NDZBWAYAHJZDDC-UONOGXRCSA-N 2 0 261.369 1.133 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCN2CCCC2=O)[C@H]2CCC[C@H]21 ZINC000580560119 372023409 /nfs/dbraw/zinc/02/34/09/372023409.db2.gz PYZDUERPPAEDAC-HZSPNIEDSA-N 2 0 265.401 1.071 10 0 CDAERP CC[C@H](CN[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)[NH+]1CCCC1 ZINC000422968341 245450107 /nfs/dbraw/zinc/45/01/07/245450107.db2.gz WJIZUZODSQWAGU-PMPSAXMXSA-N 2 0 281.444 1.217 10 0 CDAERP Cc1cc(N2CCC[C@@H]([NH2+]C3CCC([NH3+])CC3)C2)n(C)n1 ZINC000333341976 205233690 /nfs/dbraw/zinc/23/36/90/205233690.db2.gz YHEWMCSXBDREIE-YMAMQOFZSA-N 2 0 291.443 1.557 10 0 CDAERP O=C(CCC1CC[NH2+]CC1)N1CCC[N@@H+](C2CC2)CC1 ZINC000179247736 372992309 /nfs/dbraw/zinc/99/23/09/372992309.db2.gz FHHYFRVDVNKZCV-UHFFFAOYSA-N 2 0 279.428 1.463 10 0 CDAERP CC(C)[C@@](C)(O)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000187005663 373185032 /nfs/dbraw/zinc/18/50/32/373185032.db2.gz KRKGMVVRWKECKN-SJORKVTESA-N 2 0 297.487 1.495 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000582011758 373537122 /nfs/dbraw/zinc/53/71/22/373537122.db2.gz MKDNXOPONRZMOV-ZIAGYGMSSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@@H]1C[C@H](C)[N@H+](C[C@@H]2CCc3ncnn32)C[C@H]1C[NH3+] ZINC000631828796 373721800 /nfs/dbraw/zinc/72/18/00/373721800.db2.gz YTEPOMJDUVNURC-XQHKEYJVSA-N 2 0 263.389 1.071 10 0 CDAERP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[NH2+][C@H]2C)o1 ZINC000638781210 373966386 /nfs/dbraw/zinc/96/63/86/373966386.db2.gz YOVNGFFCCAGWTP-WCQYABFASA-N 2 0 279.384 1.602 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1C[C@]1(F)c1ccccc1 ZINC000424375335 246461875 /nfs/dbraw/zinc/46/18/75/246461875.db2.gz MVAAUWHDZIPNCY-KKUMJFAQSA-N 2 0 266.360 1.967 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000416841837 375686566 /nfs/dbraw/zinc/68/65/66/375686566.db2.gz MOUIVOJKQHIQFQ-YDHLFZDLSA-N 2 0 292.427 1.194 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000417305401 375756027 /nfs/dbraw/zinc/75/60/27/375756027.db2.gz ASTOFFHCOZCYKE-OLZOCXBDSA-N 2 0 292.427 1.846 10 0 CDAERP C[C@H]1C[N@H+](C)CC[C@]12C[NH+]=C(N)N2Cc1ccccc1 ZINC000306935263 375805662 /nfs/dbraw/zinc/80/56/62/375805662.db2.gz GZKIFEOCAJBBOP-BBRMVZONSA-N 2 0 272.396 1.527 10 0 CDAERP C[N@H+]1C[C@@H]2C[NH+](CCC(=O)Nc3ccccc3)C[C@@H]2C1 ZINC000193635916 375886265 /nfs/dbraw/zinc/88/62/65/375886265.db2.gz STHCIVHDUNJVTO-OKILXGFUSA-N 2 0 273.380 1.509 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)NCC2([NH3+])CCC2)CC1 ZINC000417395130 376553335 /nfs/dbraw/zinc/55/33/35/376553335.db2.gz UDUONXLDPULGSB-UHFFFAOYSA-N 2 0 282.432 1.289 10 0 CDAERP C[NH2+]C[C@H]1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000574754530 295049111 /nfs/dbraw/zinc/04/91/11/295049111.db2.gz DIENFRVJYGVXSL-ZIAGYGMSSA-N 2 0 267.417 1.319 10 0 CDAERP CC[N@H+](C)C[C@@H]1CCN(CC(=O)NC(C)(C)C)C1 ZINC000072857775 376811809 /nfs/dbraw/zinc/81/18/09/376811809.db2.gz PJHBCDHAWFJRMJ-LBPRGKRZSA-N 2 0 255.406 1.175 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)N2CCOCC2)[C@@H](C)C1 ZINC000246856914 377001922 /nfs/dbraw/zinc/00/19/22/377001922.db2.gz CUVAUBASNDEVRI-ZNMIVQPWSA-N 2 0 269.433 1.027 10 0 CDAERP [NH3+][C@@H]1CCCC[C@@H]1NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000248874621 377344738 /nfs/dbraw/zinc/34/47/38/377344738.db2.gz LUGMLCCGICCWCR-YUSLTOFOSA-N 2 0 265.401 1.293 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000660587525 412874838 /nfs/dbraw/zinc/87/48/38/412874838.db2.gz SWPACTMNWBTINB-ZDUSSCGKSA-N 2 0 284.448 1.499 10 0 CDAERP C[C@H](C[NH3+])N(C)C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000417536802 377900579 /nfs/dbraw/zinc/90/05/79/377900579.db2.gz REHYYBKTKDWSMC-RWMBFGLXSA-N 2 0 270.421 1.238 10 0 CDAERP C[C@@H](O)C[NH+]1CCC(C[NH2+]Cc2cccnc2)CC1 ZINC000069349825 378019333 /nfs/dbraw/zinc/01/93/33/378019333.db2.gz LMFFCUURWLZQQA-CYBMUJFWSA-N 2 0 263.385 1.264 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)CC[N@@H+]1C ZINC000633065365 378093760 /nfs/dbraw/zinc/09/37/60/378093760.db2.gz HOPFACVFSDNBAD-JONQDZQNSA-N 2 0 293.455 1.802 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425542306 378217257 /nfs/dbraw/zinc/21/72/57/378217257.db2.gz HBWYRLWZRXXRDH-OLZOCXBDSA-N 2 0 263.389 1.468 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)CC[C@H](C)[NH3+])CC1 ZINC000193314878 378273212 /nfs/dbraw/zinc/27/32/12/378273212.db2.gz IDQVHSJKDIMODK-LBPRGKRZSA-N 2 0 255.406 1.352 10 0 CDAERP C[C@H]1C[N@H+](C)C[C@H]1NCC[NH+](C)C1CCCCC1 ZINC000343784100 378976737 /nfs/dbraw/zinc/97/67/37/378976737.db2.gz PYMUKAWHVYENPM-DZGCQCFKSA-N 2 0 253.434 1.791 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000657573436 412903819 /nfs/dbraw/zinc/90/38/19/412903819.db2.gz NERKWUYHRIMMOD-JKSUJKDBSA-N 2 0 297.487 1.950 10 0 CDAERP CCn1ccnc1C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000657572679 412905502 /nfs/dbraw/zinc/90/55/02/412905502.db2.gz BMHKCAFHVRMEOC-AWEZNQCLSA-N 2 0 281.448 1.265 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000662339328 412907186 /nfs/dbraw/zinc/90/71/86/412907186.db2.gz WOPPACSOLLUREY-HRCADAONSA-N 2 0 295.471 1.988 10 0 CDAERP [NH3+]C[C@@H]1CCCCC[C@@H]1[NH+]1CCN(C2CC2)CC1 ZINC000042489617 184554697 /nfs/dbraw/zinc/55/46/97/184554697.db2.gz IXXAWDHGGBYZIT-ZFWWWQNUSA-N 2 0 251.418 1.674 10 0 CDAERP C[NH2+][C@](C)(CO)CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000085218772 184606309 /nfs/dbraw/zinc/60/63/09/184606309.db2.gz XQPGCIZRRDOIDK-IHRRRGAJSA-N 2 0 258.406 1.236 10 0 CDAERP CC[NH2+][C@](C)(CO)CCC[N@H+](C)C1CCOCC1 ZINC000085240770 184608675 /nfs/dbraw/zinc/60/86/75/184608675.db2.gz USFRFWKQWUSALB-AWEZNQCLSA-N 2 0 258.406 1.238 10 0 CDAERP C[C@H](CCCO)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000453276749 252293239 /nfs/dbraw/zinc/29/32/39/252293239.db2.gz MZOILDROPKVLIF-KBUPBQIOSA-N 2 0 254.418 1.857 10 0 CDAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CCC[C@H]2O)[C@@H](C)C1 ZINC000453391243 252310446 /nfs/dbraw/zinc/31/04/46/252310446.db2.gz SWSNAMILJUBXNX-MWDXBVQZSA-N 2 0 298.471 1.874 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@@]2(C)CCC[NH2+]C2)C1 ZINC000655964853 412973924 /nfs/dbraw/zinc/97/39/24/412973924.db2.gz HHDQDJWDJVQWDO-GUTXKFCHSA-N 2 0 282.432 1.016 10 0 CDAERP CC(C)[N@H+](C)C[C@@H](O)CN1CCC[C@@H](OC(F)F)C1 ZINC000660233601 413001263 /nfs/dbraw/zinc/00/12/63/413001263.db2.gz CHBFJAXINRPVCC-VXGBXAGGSA-N 2 0 280.359 1.391 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@H]2[NH2+]CCC2(C)C)cc1 ZINC000662425487 413003354 /nfs/dbraw/zinc/00/33/54/413003354.db2.gz DFNWEQINMKXEGE-BXUZGUMPSA-N 2 0 275.396 1.711 10 0 CDAERP CCN1OC[C@H](N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C1=O ZINC000660256388 413020750 /nfs/dbraw/zinc/02/07/50/413020750.db2.gz LSKKMHCQBGBMJJ-GUTXKFCHSA-N 2 0 295.427 1.391 10 0 CDAERP CN(CCC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21)c1cc[nH+]cc1 ZINC000646937829 390300444 /nfs/dbraw/zinc/30/04/44/390300444.db2.gz UGPNKLLYZNHWDB-DZGCQCFKSA-N 2 0 288.395 1.070 10 0 CDAERP COC[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)OC ZINC000353674228 285378269 /nfs/dbraw/zinc/37/82/69/285378269.db2.gz TXXKJJPQHHFHFL-IGQOVBAYSA-N 2 0 256.390 1.110 10 0 CDAERP COCC1CCC([NH2+]CCCC[NH+]2CCOCC2)CC1 ZINC000449082586 390667277 /nfs/dbraw/zinc/66/72/77/390667277.db2.gz OJMLSUFULYYELT-UHFFFAOYSA-N 2 0 284.444 1.894 10 0 CDAERP CC[NH+](CC)CCN1CCC([NH+]2CCCC2)CC1 ZINC000119633211 390853285 /nfs/dbraw/zinc/85/32/85/390853285.db2.gz LPZCLRAGQOVVQO-UHFFFAOYSA-N 2 0 253.434 1.888 10 0 CDAERP CC(C)(C[NH2+]C1CC[NH+](CC2CC2)CC1)[C@]1(O)CCOC1 ZINC000647340010 390943169 /nfs/dbraw/zinc/94/31/69/390943169.db2.gz DFFJQKHUQDTRLT-KRWDZBQOSA-N 2 0 296.455 1.628 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CC(C)(C)[C@@]2(O)CCOC2)CC[N@@H+]1C ZINC000647340316 390943338 /nfs/dbraw/zinc/94/33/38/390943338.db2.gz HNHAQIHECASOHW-UMVBOHGHSA-N 2 0 270.417 1.236 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000648187755 390947642 /nfs/dbraw/zinc/94/76/42/390947642.db2.gz XUOOHAVQYODUOR-OLZOCXBDSA-N 2 0 279.428 1.556 10 0 CDAERP CC(C)([NH3+])CCC(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000648206234 390951905 /nfs/dbraw/zinc/95/19/05/390951905.db2.gz WQYDTMDTTJIKRM-LLVKDONJSA-N 2 0 253.390 1.295 10 0 CDAERP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000648209731 390952811 /nfs/dbraw/zinc/95/28/11/390952811.db2.gz AXQNXAJQGGWOPB-CHWSQXEVSA-N 2 0 281.444 1.802 10 0 CDAERP COc1ncncc1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000647218872 390886275 /nfs/dbraw/zinc/88/62/75/390886275.db2.gz OYHOHSWBFGPFRE-UHFFFAOYSA-N 2 0 264.373 1.448 10 0 CDAERP C(C1CC[NH2+]CC1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647479720 390966914 /nfs/dbraw/zinc/96/69/14/390966914.db2.gz QZEYLWLQSLSBHY-CABCVRRESA-N 3 0 251.418 1.450 10 0 CDAERP C[C@@H]([NH3+])[C@H]1CN(Cc2cccc3c2NCC3)CCO1 ZINC000647506742 390974604 /nfs/dbraw/zinc/97/46/04/390974604.db2.gz BKQMEVQETXGTPK-BXUZGUMPSA-N 2 0 261.369 1.203 10 0 CDAERP COc1ccc(CCC[NH2+]C2CC[NH2+]CC2)cc1OC ZINC000415078604 390994276 /nfs/dbraw/zinc/99/42/76/390994276.db2.gz GQWBSFLTANNTHO-UHFFFAOYSA-N 2 0 278.396 1.978 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000647550933 390999464 /nfs/dbraw/zinc/99/94/64/390999464.db2.gz OVRNTLNMPREEHC-VJTDZRGJSA-N 2 0 250.386 1.532 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000417754738 391037382 /nfs/dbraw/zinc/03/73/82/391037382.db2.gz VZMPOXNTJVMPEB-ZDUSSCGKSA-N 2 0 282.432 1.112 10 0 CDAERP Cc1cc(C[NH2+]CC2CC[NH+](CCN(C)C)CC2)ccn1 ZINC000527652950 391087084 /nfs/dbraw/zinc/08/70/84/391087084.db2.gz HEJFTXVHDOPSAU-UHFFFAOYSA-N 2 0 290.455 1.753 10 0 CDAERP C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)OCC1CC1 ZINC000647903804 391202606 /nfs/dbraw/zinc/20/26/06/391202606.db2.gz QFMBWGPISDGCRT-GJZGRUSLSA-N 2 0 252.402 1.877 10 0 CDAERP CCCN(CC[NH+]1CCCCCC1)C(=O)NCCC[NH3+] ZINC000418314170 391302184 /nfs/dbraw/zinc/30/21/84/391302184.db2.gz RROLBLWZLPRGPX-UHFFFAOYSA-N 2 0 284.448 1.633 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[C@@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000418344519 391349867 /nfs/dbraw/zinc/34/98/67/391349867.db2.gz SAAWAVVLCAQCNJ-ILXRZTDVSA-N 2 0 296.459 1.358 10 0 CDAERP C(C1CC[NH2+]CC1)[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000178980026 391362806 /nfs/dbraw/zinc/36/28/06/391362806.db2.gz YHDOXSSGHSILJT-MRXNPFEDSA-N 2 0 281.444 1.173 10 0 CDAERP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC[N@H+](CCOC)CC1 ZINC000355750658 391467643 /nfs/dbraw/zinc/46/76/43/391467643.db2.gz VQMWNAHCRUJXJJ-AWEZNQCLSA-N 2 0 299.459 1.334 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000417812935 391482030 /nfs/dbraw/zinc/48/20/30/391482030.db2.gz FXMJISVLYJIGQY-XQQFMLRXSA-N 2 0 265.401 1.118 10 0 CDAERP O=C(NCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000647789769 391538010 /nfs/dbraw/zinc/53/80/10/391538010.db2.gz LFUDSOPSLDSGPL-ARFHVFGLSA-N 2 0 287.407 1.394 10 0 CDAERP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1CC1CC[NH2+]CC1 ZINC000251927998 391553448 /nfs/dbraw/zinc/55/34/48/391553448.db2.gz YMNSIIVWYFXNDI-ZFWWWQNUSA-N 2 0 251.418 1.545 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000417810208 391496962 /nfs/dbraw/zinc/49/69/62/391496962.db2.gz IHJOTBFGVRVRBB-LLVKDONJSA-N 2 0 292.374 1.015 10 0 CDAERP Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647794365 391639151 /nfs/dbraw/zinc/63/91/51/391639151.db2.gz YPJXWNHBYYFFRY-HRCADAONSA-N 2 0 290.455 1.947 10 0 CDAERP CC[C@H](C[NH+]1CCN(c2ccnc(N(C)C)n2)CC1)OC ZINC000412975016 391668062 /nfs/dbraw/zinc/66/80/62/391668062.db2.gz DHNRWJCDWQISPX-CYBMUJFWSA-N 2 0 293.415 1.090 10 0 CDAERP CC[C@@H]1C[C@@H](C[NH2+]CC2(COC)CC[NH2+]CC2)CCO1 ZINC000414976224 391676060 /nfs/dbraw/zinc/67/60/60/391676060.db2.gz PBKDBIKRVZWPDU-LSDHHAIUSA-N 2 0 284.444 1.797 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)NCC1([NH3+])CCCCC1 ZINC000519655548 391679601 /nfs/dbraw/zinc/67/96/01/391679601.db2.gz VVHGMVHJVDCJAV-UHFFFAOYSA-N 2 0 275.396 1.579 10 0 CDAERP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H](C)[C@@H](C)[NH3+])C1 ZINC000417592114 391687144 /nfs/dbraw/zinc/68/71/44/391687144.db2.gz XTWFMYUJNBUAJY-HZSPNIEDSA-N 2 0 298.475 1.922 10 0 CDAERP C[N@H+](CCNC(=O)NC[C@H]([NH3+])c1ccccc1)C1CC1 ZINC000417622665 391708438 /nfs/dbraw/zinc/70/84/38/391708438.db2.gz HUWBCVLQFJZMPV-AWEZNQCLSA-N 2 0 276.384 1.080 10 0 CDAERP C[N@H+](CCCCOc1ccccc1)C[C@@H](O)C[NH3+] ZINC000415073605 391747294 /nfs/dbraw/zinc/74/72/94/391747294.db2.gz YWHNKJVQGVYXRD-ZDUSSCGKSA-N 2 0 252.358 1.097 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+]Cc1c(Br)cnn1C ZINC000415011796 391722747 /nfs/dbraw/zinc/72/27/47/391722747.db2.gz IJALMHLSQQOYHX-SECBINFHSA-N 2 0 289.221 1.790 10 0 CDAERP COc1ccc(OC)c(C[NH2+][C@@H](C)CCC[NH3+])c1 ZINC000415026796 391728387 /nfs/dbraw/zinc/72/83/87/391728387.db2.gz VLPOTOMNCDEENL-NSHDSACASA-N 2 0 252.358 1.921 10 0 CDAERP C[C@H]1C[C@H](C[NH2+]C2CCC([NH+]3CCNCC3)CC2)CC[NH2+]1 ZINC000415053873 391738304 /nfs/dbraw/zinc/73/83/04/391738304.db2.gz MZEMZGWCTNHUOP-NJINODPHSA-N 3 0 294.487 1.181 10 0 CDAERP CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000334959700 391987575 /nfs/dbraw/zinc/98/75/75/391987575.db2.gz RCIQMFCSMWDQPW-TZMCWYRMSA-N 2 0 282.432 1.156 10 0 CDAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)[C@@H]1CCCC[NH2+]1 ZINC000649319347 392011535 /nfs/dbraw/zinc/01/15/35/392011535.db2.gz YUFJDOWJWKEWEM-ZDUSSCGKSA-N 2 0 271.324 1.348 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)NCC[NH+]1[C@H](C)CCC[C@@H]1C ZINC000341106166 391949165 /nfs/dbraw/zinc/94/91/65/391949165.db2.gz GINMXKRHACTDQD-GASCZTMLSA-N 2 0 298.475 1.889 10 0 CDAERP CCOCCC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104522 392012143 /nfs/dbraw/zinc/01/21/43/392012143.db2.gz PHSXFEPVHFERCL-UHFFFAOYSA-N 2 0 256.390 1.210 10 0 CDAERP CC[C@@H](Cn1cncn1)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000438826819 391968328 /nfs/dbraw/zinc/96/83/28/391968328.db2.gz PKDCTNMGYCWNFG-OLZOCXBDSA-N 2 0 263.389 1.131 10 0 CDAERP CC[C@@H]1C[C@@H](C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)CCO1 ZINC000441356877 392234633 /nfs/dbraw/zinc/23/46/33/392234633.db2.gz RNEPMCUHKJJRMW-JKSUJKDBSA-N 2 0 297.487 1.807 10 0 CDAERP C[N@H+](CCCC1CC[NH2+]CC1)[C@@H]1CCN(C2CC2)C1 ZINC000649412537 392196772 /nfs/dbraw/zinc/19/67/72/392196772.db2.gz RJFRMYRBZDNYHM-MRXNPFEDSA-N 2 0 265.445 1.935 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCN[C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422774492 392258598 /nfs/dbraw/zinc/25/85/98/392258598.db2.gz XEZPSHPFIYROSC-DJIMGWMZSA-N 2 0 295.471 1.608 10 0 CDAERP Cc1cc(C[NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)ccn1 ZINC000423153476 392391569 /nfs/dbraw/zinc/39/15/69/392391569.db2.gz GROOSGHUJWQZFS-GJZGRUSLSA-N 2 0 261.369 1.247 10 0 CDAERP C[N@H+](CCCC[NH2+][C@@H](C1CC1)[C@H]1CNCCO1)C1CC1 ZINC000423157092 392395671 /nfs/dbraw/zinc/39/56/71/392395671.db2.gz AFNBMZLIRRVZRL-CVEARBPZSA-N 2 0 281.444 1.217 10 0 CDAERP [NH3+][C@@H]1CCCCC[C@@H]1NCCC[NH2+]Cc1cccnc1 ZINC000423181034 392420598 /nfs/dbraw/zinc/42/05/98/392420598.db2.gz CADMUYAESFFIHM-CVEARBPZSA-N 2 0 276.428 1.811 10 0 CDAERP COCC1CCC([NH2+][C@H](C2CC2)[C@@H]2CNCCO2)CC1 ZINC000423189954 392430386 /nfs/dbraw/zinc/43/03/86/392430386.db2.gz ROEYCJGMFMYWGY-DISOXQEGSA-N 2 0 282.428 1.548 10 0 CDAERP CC(C)[C@H]1CN(C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC[NH2+]1 ZINC000646327507 392526989 /nfs/dbraw/zinc/52/69/89/392526989.db2.gz CTPGJOYDUDIEBZ-QLFBSQMISA-N 2 0 281.444 1.741 10 0 CDAERP [NH3+]C[C@@H](C(=O)N1CC2CCC1(C[NH3+])CC2)c1ccccc1 ZINC000573975893 392481946 /nfs/dbraw/zinc/48/19/46/392481946.db2.gz DEHUTKKOKKMEML-GNHJJJEISA-N 2 0 287.407 1.459 10 0 CDAERP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]CCC[NH3+] ZINC000437783782 392490675 /nfs/dbraw/zinc/49/06/75/392490675.db2.gz IOQGUHMYBWEVCJ-CYBMUJFWSA-N 2 0 266.385 1.963 10 0 CDAERP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1C[C@@H](C)CC[NH2+]1)CC2 ZINC000423773594 392690542 /nfs/dbraw/zinc/69/05/42/392690542.db2.gz JUGYFGYXEBAXGO-FZKCQIBNSA-N 2 0 293.455 1.848 10 0 CDAERP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@H]1C[C@@H](C)CC[NH2+]1)CC2 ZINC000423773597 392690729 /nfs/dbraw/zinc/69/07/29/392690729.db2.gz JUGYFGYXEBAXGO-XUWVNRHRSA-N 2 0 293.455 1.848 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)Cc1ccoc1 ZINC000449127818 392662081 /nfs/dbraw/zinc/66/20/81/392662081.db2.gz XVVJTAUFNJGBFS-UONOGXRCSA-N 2 0 265.401 1.436 10 0 CDAERP CC(C)[NH2+]CCC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000517098696 392834718 /nfs/dbraw/zinc/83/47/18/392834718.db2.gz CZIOBOWIMFIISN-UHFFFAOYSA-N 2 0 279.359 1.798 10 0 CDAERP CC[C@@H]1CCCCN1CC[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000495079709 393172738 /nfs/dbraw/zinc/17/27/38/393172738.db2.gz OYUWOCBRIDRLGV-KGLIPLIRSA-N 2 0 281.444 1.898 10 0 CDAERP CC(C)C[C@H]([NH2+][C@@H]1C[C@H](C)O[C@H]1C)C(=O)NCC[NH+](C)C ZINC000451150105 393125450 /nfs/dbraw/zinc/12/54/50/393125450.db2.gz RQJNGAMIOUZVKK-XQLPTFJDSA-N 2 0 299.459 1.234 10 0 CDAERP C[C@@H]1[C@H](C(=O)NCC[NH+](C)C2CCCCC2)CC[N@@H+]1C ZINC000648752332 393267576 /nfs/dbraw/zinc/26/75/76/393267576.db2.gz URTWOLPQVWDQRN-UKRRQHHQSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1C ZINC000648794715 393364880 /nfs/dbraw/zinc/36/48/80/393364880.db2.gz BTEUFRBXQUFEPF-REWJHTLYSA-N 2 0 267.417 1.268 10 0 CDAERP CC[NH+]1CCC(NC(=O)C[N@H+]2[C@H](C)C[C@@H]2C)CC1 ZINC000548753471 393365155 /nfs/dbraw/zinc/36/51/55/393365155.db2.gz ZWVWZNLHLPVRKH-TXEJJXNPSA-N 2 0 253.390 1.070 10 0 CDAERP Cc1cc(N2CCN(CCC[NH+]3CCCCC3)CC2)n[nH]1 ZINC000187158075 140075476 /nfs/dbraw/zinc/07/54/76/140075476.db2.gz SALVJMDZVKORHK-UHFFFAOYSA-N 2 0 291.443 1.716 10 0 CDAERP [NH3+][C@H]1CCC[C@@H]1C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188723911 140100610 /nfs/dbraw/zinc/10/06/10/140100610.db2.gz BMHDOXNLQVJXSH-KBPBESRZSA-N 2 0 259.353 1.033 10 0 CDAERP C[N@@H+]1CCN(CC[NH2+]CC2CC2)[C@@H](c2ccccc2)C1 ZINC000224916288 140174925 /nfs/dbraw/zinc/17/49/25/140174925.db2.gz UIVBSCQPFMGXDC-QGZVFWFLSA-N 2 0 273.424 1.975 10 0 CDAERP C[C@H]1C[C@H](N(C)C(=O)C2(C[NH3+])CCCC2)CC[N@@H+]1C ZINC000237560089 140255539 /nfs/dbraw/zinc/25/55/39/140255539.db2.gz SYTOUDBNOZMYMJ-QWHCGFSZSA-N 2 0 267.417 1.447 10 0 CDAERP [NH3+]C1(CNC(=O)C[C@H]2CSCC[NH2+]2)CCCCCC1 ZINC000237829394 140259199 /nfs/dbraw/zinc/25/91/99/140259199.db2.gz KJJVJVCFUVNZIG-LBPRGKRZSA-N 2 0 285.457 1.249 10 0 CDAERP C[C@@H]1C[NH+](CC2CC[NH+](C[C@H]3CCCO3)CC2)C[C@@H](C)O1 ZINC000245385389 140263621 /nfs/dbraw/zinc/26/36/21/140263621.db2.gz CIRUFIINFQZGRO-BFYDXBDKSA-N 2 0 296.455 1.987 10 0 CDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H](C)C1C[NH2+]C1 ZINC000261554189 140345698 /nfs/dbraw/zinc/34/56/98/140345698.db2.gz UAWUPIMFQXSZGW-ZIAGYGMSSA-N 2 0 289.423 1.479 10 0 CDAERP CC[NH2+]Cc1cccc(NC(=O)C2([NH3+])CCOCC2)c1 ZINC000261782235 140389143 /nfs/dbraw/zinc/38/91/43/140389143.db2.gz HLDOLDZLIBSJJE-UHFFFAOYSA-N 2 0 277.368 1.243 10 0 CDAERP C[C@@]1(CN(CC[NH3+])CCc2ccccc2)CC[NH2+]C1 ZINC000262033474 140415835 /nfs/dbraw/zinc/41/58/35/140415835.db2.gz OHQHYKTUEJLXCJ-MRXNPFEDSA-N 2 0 261.413 1.489 10 0 CDAERP COC[C@H](CC(C)(C)C)[NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000656193394 413087837 /nfs/dbraw/zinc/08/78/37/413087837.db2.gz JTNWIBUNOSZKIL-KGLIPLIRSA-N 2 0 299.459 1.225 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H](Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000656197757 413093877 /nfs/dbraw/zinc/09/38/77/413093877.db2.gz INWLPYJCFRJEAD-VXGBXAGGSA-N 2 0 257.341 1.949 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000662529363 413100418 /nfs/dbraw/zinc/10/04/18/413100418.db2.gz WEYZRAQNXMWYSG-ZFWWWQNUSA-N 2 0 281.444 1.693 10 0 CDAERP C[C@H](CCC[NH3+])NC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662567872 413134899 /nfs/dbraw/zinc/13/48/99/413134899.db2.gz IEBGDXDPFUKGAU-DOMZBBRYSA-N 2 0 289.423 1.922 10 0 CDAERP CC(C)C[C@@H]([NH3+])c1noc([C@H](N)CC[NH+](C)C)n1 ZINC000650226421 397796187 /nfs/dbraw/zinc/79/61/87/397796187.db2.gz IJEMQTQJFBKFMW-NXEZZACHSA-N 2 0 255.366 1.067 10 0 CDAERP CCC[C@@]1([NH2+]C[C@H](O)C[N@H+](C)C(C)C)CCOC1 ZINC000394100440 397801241 /nfs/dbraw/zinc/80/12/41/397801241.db2.gz TUQOEOWTZVNQQD-UONOGXRCSA-N 2 0 258.406 1.236 10 0 CDAERP CC[NH+]1CCC([NH2+]C[C@@H](OC)[C@@H]2CCOC2)CC1 ZINC000658075535 413177162 /nfs/dbraw/zinc/17/71/62/413177162.db2.gz ZEXFTDLNUAXYMR-TZMCWYRMSA-N 2 0 256.390 1.112 10 0 CDAERP C([C@@H]1CCOC1)[NH+]1CCC([NH2+]C2CSC2)CC1 ZINC000679840629 483450281 /nfs/dbraw/zinc/45/02/81/483450281.db2.gz LMRCFBLXYWFPGX-NSHDSACASA-N 2 0 256.415 1.192 10 0 CDAERP COCCOC1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000262074210 149010102 /nfs/dbraw/zinc/01/01/02/149010102.db2.gz SJBQLGGRTNMUTD-CQSZACIVSA-N 2 0 256.390 1.113 10 0 CDAERP C[C@H](C(=O)N(C)CC[NH2+]CCCF)[NH+]1CCCCCC1 ZINC001664226741 1172827592 /nfs/dbraw/zinc/82/75/92/1172827592.db2.gz FFONFUVKISQEEM-CQSZACIVSA-N 2 0 287.423 1.659 10 0 CDAERP [NH3+][C@H]1CCC[C@H](NC(=O)N2CCC(c3c[nH]cn3)CC2)C1 ZINC000334925522 150091070 /nfs/dbraw/zinc/09/10/70/150091070.db2.gz USPAGNNNEDSJCZ-STQMWFEESA-N 2 0 291.399 1.569 10 0 CDAERP C[C@@]1([NH3+])CCCC[C@H]1C(=O)N1CC[NH+]2CCC1CC2 ZINC000335039606 150215322 /nfs/dbraw/zinc/21/53/22/150215322.db2.gz UPMMCYWSOBJNAA-DZGCQCFKSA-N 2 0 265.401 1.201 10 0 CDAERP C[C@@H]1CC[NH2+][C@@H](C(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000335136778 150326956 /nfs/dbraw/zinc/32/69/56/150326956.db2.gz YECNKLPGUBYUAM-CHWSQXEVSA-N 2 0 267.417 1.542 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[NH2+]C(C)(C)C2)cc1 ZINC000335197702 150396050 /nfs/dbraw/zinc/39/60/50/150396050.db2.gz USKSOMILPVXMIR-LBPRGKRZSA-N 2 0 290.411 1.600 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NC2CC([NH+]3CCCCC3)C2)CC[NH2+]1 ZINC000335477338 150687192 /nfs/dbraw/zinc/68/71/92/150687192.db2.gz FCLJGTFVLUJVEK-HESLUPGFSA-N 2 0 279.428 1.508 10 0 CDAERP CC1CC(C[NH2+]CCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001664369616 1172845955 /nfs/dbraw/zinc/84/59/55/1172845955.db2.gz FADWIYIVRCYCFX-JXQTWKCFSA-N 2 0 267.417 1.032 10 0 CDAERP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@@H](CO)Cc1ccccc1 ZINC000343668769 152261325 /nfs/dbraw/zinc/26/13/25/152261325.db2.gz PUDUEJLRWJDTTC-KBMXLJTQSA-N 2 0 262.397 1.377 10 0 CDAERP COc1ccc([C@H](N[C@H](C)[C@H](C)[NH3+])[C@H]2CCC[NH2+]2)cc1 ZINC000423486047 286376483 /nfs/dbraw/zinc/37/64/83/286376483.db2.gz ZMLBOUMJBAOKFT-OJDYBEQGSA-N 2 0 277.412 1.814 10 0 CDAERP O=C(N1CC[NH+](C2CCCC2)CC1)C1([NH2+]C2CC2)CCC1 ZINC000662674013 413292423 /nfs/dbraw/zinc/29/24/23/413292423.db2.gz WBJXBRHWRMCFIO-UHFFFAOYSA-N 2 0 291.439 1.748 10 0 CDAERP C[C@H](CNC(=O)C1([NH2+]C2CC2)CCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000662677890 413296840 /nfs/dbraw/zinc/29/68/40/413296840.db2.gz ANHZQSSLXPVGJW-ZIAGYGMSSA-N 2 0 293.455 1.898 10 0 CDAERP O[C@H]1C[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C12CCC2 ZINC000658249446 413313659 /nfs/dbraw/zinc/31/36/59/413313659.db2.gz BCHNLAXSPWSTNV-GJZGRUSLSA-N 2 0 264.413 1.754 10 0 CDAERP CN(C(=O)CC[C@H]1CCCC[NH+]1C)[C@H]1CCC[N@H+](C)C1 ZINC000354063608 156248020 /nfs/dbraw/zinc/24/80/20/156248020.db2.gz CBJKQNKRRRFYRP-CABCVRRESA-N 2 0 281.444 1.804 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc(C(C)(C)[NH3+])no2)C1 ZINC000662694452 413327797 /nfs/dbraw/zinc/32/77/97/413327797.db2.gz WTBZXVKKCGQBBI-NSHDSACASA-N 2 0 294.399 1.329 10 0 CDAERP CC[C@H](C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2)[NH+](CC)CC ZINC000359784014 158375332 /nfs/dbraw/zinc/37/53/32/158375332.db2.gz CRHPKWMTPDSJPI-HUUCEWRRSA-N 2 0 281.444 1.659 10 0 CDAERP O[C@H](C[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1)C[NH+]1CCCC1 ZINC000361897131 159012724 /nfs/dbraw/zinc/01/27/24/159012724.db2.gz PRTLKVSQFWHLGI-YLFCFFPRSA-N 2 0 296.455 1.628 10 0 CDAERP Cc1ccccc1[C@@H]([NH3+])C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662730535 413397657 /nfs/dbraw/zinc/39/76/57/413397657.db2.gz IJLSZQREIQDJSF-ZIAGYGMSSA-N 2 0 263.385 1.484 10 0 CDAERP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)CC2([NH3+])CC2)C1 ZINC000662749525 413425423 /nfs/dbraw/zinc/42/54/23/413425423.db2.gz JDQQAISHAWKILG-ZDUSSCGKSA-N 2 0 265.401 1.058 10 0 CDAERP C[NH+](C)C[C@H]1CN(C(=O)CC2([NH3+])CC2)c2ccccc2O1 ZINC000662753299 413432552 /nfs/dbraw/zinc/43/25/52/413432552.db2.gz XZWMMAJTEAEGRA-LBPRGKRZSA-N 2 0 289.379 1.224 10 0 CDAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C[NH+](CC)CC ZINC000173472470 287219415 /nfs/dbraw/zinc/21/94/15/287219415.db2.gz JETXKESSOJMZSW-ZIAGYGMSSA-N 2 0 267.417 1.413 10 0 CDAERP CCCC[NH+](CCCC)[C@@H](C)C(=O)N1CC[NH2+]CC1 ZINC000020485530 171225071 /nfs/dbraw/zinc/22/50/71/171225071.db2.gz SPWJUESYZNLRCR-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP COc1ccccc1[C@@H](C[NH3+])N(C)C1CC[NH+](C)CC1 ZINC000022172027 171368941 /nfs/dbraw/zinc/36/89/41/171368941.db2.gz IYDMTOWBHFOZCN-OAHLLOKOSA-N 2 0 277.412 1.721 10 0 CDAERP CCC[NH+]1CCN(CC(=O)Nc2ccccc2C[NH3+])CC1 ZINC000022173851 171369173 /nfs/dbraw/zinc/36/91/73/171369173.db2.gz XADVBFZPMVIHNA-UHFFFAOYSA-N 2 0 290.411 1.111 10 0 CDAERP CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccccc1C[NH2+]C ZINC000653210653 412140912 /nfs/dbraw/zinc/14/09/12/412140912.db2.gz DWKWCYUYCQUHIQ-FZMZJTMJSA-N 2 0 263.385 1.396 10 0 CDAERP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]3CCCC[C@H]3[NH2+]1)C2 ZINC000653198135 412130002 /nfs/dbraw/zinc/13/00/02/412130002.db2.gz KJSBBHRBHGVMFO-NMNMXBMNSA-N 2 0 291.439 1.495 10 0 CDAERP [NH3+]C1(C(=O)N2CCC3(CC[NH2+]C3)CC2)CC2(CCC2)C1 ZINC000662777713 413481559 /nfs/dbraw/zinc/48/15/59/413481559.db2.gz CLCSJIPWNOXMPM-UHFFFAOYSA-N 2 0 277.412 1.250 10 0 CDAERP [NH3+]C[C@H]1CC[C@H](CNC(=O)C2([NH3+])CC3(CCC3)C2)CC1 ZINC000662778959 413484723 /nfs/dbraw/zinc/48/47/23/413484723.db2.gz HEZZMTPBEWRRQH-JOCQHMNTSA-N 2 0 279.428 1.529 10 0 CDAERP C[NH+](C)C[C@H]1CCCCN1C(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662788709 413498816 /nfs/dbraw/zinc/49/88/16/413498816.db2.gz OCZMVZXXIIYZMK-LLVKDONJSA-N 2 0 294.399 1.425 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662827671 413556758 /nfs/dbraw/zinc/55/67/58/413556758.db2.gz AOJVNBBWWZBCIQ-CQSZACIVSA-N 2 0 275.396 1.410 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)CC2([NH3+])CC2)C1 ZINC000662845067 413595938 /nfs/dbraw/zinc/59/59/38/413595938.db2.gz DCRKDHKUUKHABY-NSHDSACASA-N 2 0 253.390 1.104 10 0 CDAERP [NH3+][C@H]1C[C@H](C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)C1 ZINC000662878434 413642377 /nfs/dbraw/zinc/64/23/77/413642377.db2.gz RICLIYOYNRPOBY-YRGRVCCFSA-N 2 0 275.352 1.023 10 0 CDAERP C[C@H](CCNC(=O)C1([NH2+]C2CC2)CCC1)[NH+](C)C ZINC000662859518 413621936 /nfs/dbraw/zinc/62/19/36/413621936.db2.gz NVAVMZBLGGGFDV-LLVKDONJSA-N 2 0 253.390 1.118 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)CC1C[NH+](C)C1 ZINC000664888291 413714605 /nfs/dbraw/zinc/71/46/05/413714605.db2.gz GHQGGVXSENPZOA-AWEZNQCLSA-N 2 0 282.432 1.064 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663003674 413801006 /nfs/dbraw/zinc/80/10/06/413801006.db2.gz MTFPRKCZCVQAKK-OCCSQVGLSA-N 2 0 267.417 1.352 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000662973118 413761468 /nfs/dbraw/zinc/76/14/68/413761468.db2.gz WQASZZZRAPJRCK-GFCCVEGCSA-N 2 0 267.417 1.352 10 0 CDAERP CCN(C(=O)NCCCC[NH+](C)C1CC1)[C@@H]1CC[N@H+](C)C1 ZINC000665080267 413842515 /nfs/dbraw/zinc/84/25/15/413842515.db2.gz QAGNOTJMKINFQP-OAHLLOKOSA-N 2 0 296.459 1.596 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000659503671 413896916 /nfs/dbraw/zinc/89/69/16/413896916.db2.gz OTXJAGANUFVFPR-ZIAGYGMSSA-N 2 0 284.448 1.391 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NC1CCC([NH+](C)C)CC1 ZINC000659555069 413964713 /nfs/dbraw/zinc/96/47/13/413964713.db2.gz ITNSZAYUWDDQDU-JXQTWKCFSA-N 2 0 284.448 1.532 10 0 CDAERP CC(C)[C@H]([NH3+])CCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000665283419 414019809 /nfs/dbraw/zinc/01/98/09/414019809.db2.gz NLCXPVCVTLOFOW-APIJFGDWSA-N 2 0 269.433 1.107 10 0 CDAERP CC[NH+]1CCN(C2(C[NH3+])Cc3ccccc3C2)CC1 ZINC000037374680 173163842 /nfs/dbraw/zinc/16/38/42/173163842.db2.gz AHESRWYOYDZJJH-UHFFFAOYSA-N 2 0 259.397 1.120 10 0 CDAERP CC(C)Cn1nccc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655824094 414227416 /nfs/dbraw/zinc/22/74/16/414227416.db2.gz DSMVBEFUKVXTFS-OTVXOJSOSA-N 2 0 264.417 1.969 10 0 CDAERP NC(=O)C1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCCC1 ZINC000657368873 414234119 /nfs/dbraw/zinc/23/41/19/414234119.db2.gz XWRISPILOAQXFL-UHFFFAOYSA-N 2 0 299.378 1.403 10 0 CDAERP COc1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc2c1OCO2 ZINC000655826382 414235823 /nfs/dbraw/zinc/23/58/23/414235823.db2.gz UTGCVCJNLPBJAK-BJHJDKERSA-N 2 0 292.379 1.854 10 0 CDAERP C[C@@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655803401 414194735 /nfs/dbraw/zinc/19/47/35/414194735.db2.gz ZWMWQLBAEFRNRP-DGADGQDISA-N 2 0 283.460 1.556 10 0 CDAERP CC[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccn(C)n1 ZINC000655805039 414198016 /nfs/dbraw/zinc/19/80/16/414198016.db2.gz JIVBXBQOBCVVCU-XQQFMLRXSA-N 2 0 250.390 1.801 10 0 CDAERP C(NC[C@@H]1CCCC[NH2+]1)c1nc2c(s1)C[NH2+]CC2 ZINC000663494823 414292223 /nfs/dbraw/zinc/29/22/23/414292223.db2.gz SHFGJZPSSSQIKL-JTQLQIEISA-N 2 0 266.414 1.021 10 0 CDAERP C[C@@H]1CCCN(Cc2nc3c(s2)C[NH2+]CC3)[C@H]1C[NH3+] ZINC000663496572 414294817 /nfs/dbraw/zinc/29/48/17/414294817.db2.gz WNONWFBKDNDAQT-PWSUYJOCSA-N 2 0 280.441 1.348 10 0 CDAERP C[C@H]1CCC[C@]1(O)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657475706 414373889 /nfs/dbraw/zinc/37/38/89/414373889.db2.gz DBCWUUGZLNPDDV-BBRMVZONSA-N 2 0 286.379 1.908 10 0 CDAERP CN(C)C1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000657495051 414394934 /nfs/dbraw/zinc/39/49/34/414394934.db2.gz UPMGZVQDNUOYGV-UHFFFAOYSA-N 2 0 271.368 1.451 10 0 CDAERP CC(C)CC[NH+]1CCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000037823589 173777939 /nfs/dbraw/zinc/77/79/39/173777939.db2.gz QFDHEYDAOWLCQJ-CQSZACIVSA-N 2 0 267.417 1.176 10 0 CDAERP C[C@H](CC[N@@H+]1CCC2(COC2)C1)[NH+]1CCC2(COC2)C1 ZINC000662073173 414500070 /nfs/dbraw/zinc/50/00/70/414500070.db2.gz FWARZVZRLRCDFK-CQSZACIVSA-N 2 0 280.412 1.210 10 0 CDAERP C[N@H+](Cc1cn[nH]c1)Cc1cccc2c1CC[NH2+]C2 ZINC000662262434 414598363 /nfs/dbraw/zinc/59/83/63/414598363.db2.gz FYUFOCOTYUZSSO-UHFFFAOYSA-N 2 0 256.353 1.687 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCO[C@H]3CC3(F)F)C[C@H]21 ZINC000662264421 414599916 /nfs/dbraw/zinc/59/99/16/414599916.db2.gz CYNBSLOHVHYYKK-KKOKHZNYSA-N 2 0 260.328 1.470 10 0 CDAERP CN(C[C@H](O)C[N@H+](CCC1CC1)CC1CC1)C1CC1 ZINC000662178662 414554071 /nfs/dbraw/zinc/55/40/71/414554071.db2.gz ZFILUFXZROGYGX-INIZCTEOSA-N 2 0 266.429 1.954 10 0 CDAERP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@H]2CC[NH2+]C2)cn1 ZINC000662312689 414632876 /nfs/dbraw/zinc/63/28/76/414632876.db2.gz YYTWHWXDHQREGG-QEJZJMRPSA-N 2 0 262.401 1.330 10 0 CDAERP CCC[NH+]1CCC(N[C@H]2CCC[N@H+](CC)C2)CC1 ZINC000040502080 174298373 /nfs/dbraw/zinc/29/83/73/174298373.db2.gz KYARXINLIAODGZ-HNNXBMFYSA-N 2 0 253.434 1.935 10 0 CDAERP CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+][C@@H]2CCCN(C)C2)C1 ZINC000040672688 174370261 /nfs/dbraw/zinc/37/02/61/174370261.db2.gz FDJMOQBZNUAEOW-RBSFLKMASA-N 2 0 253.434 1.791 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]C(C)(C)C(N)=O)C1 ZINC000040674465 174372685 /nfs/dbraw/zinc/37/26/85/174372685.db2.gz NRSBXOBPWDVZFM-VXGBXAGGSA-N 2 0 255.406 1.350 10 0 CDAERP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000040694299 174377882 /nfs/dbraw/zinc/37/78/82/174377882.db2.gz PKPQNQONBYHJJZ-LSDHHAIUSA-N 2 0 252.402 1.850 10 0 CDAERP CCC(CC)[C@H](CNC(=O)C[C@H]1CCC[NH2+]1)[NH+](C)C ZINC000042171370 174651527 /nfs/dbraw/zinc/65/15/27/174651527.db2.gz QBQCVWVHRIPTCI-KGLIPLIRSA-N 2 0 269.433 1.611 10 0 CDAERP CC[C@H]([NH3+])[C@H](c1ccco1)N1CCC[N@H+](C)CC1 ZINC000043334617 175010534 /nfs/dbraw/zinc/01/05/34/175010534.db2.gz ZCUBWTQQOMTGMX-GXTWGEPZSA-N 2 0 251.374 1.696 10 0 CDAERP C[C@@H]([NH3+])[C@@H](c1ccco1)N1CCC(C[NH+](C)C)CC1 ZINC000043335940 175012216 /nfs/dbraw/zinc/01/22/16/175012216.db2.gz AFIQEWWMAPUYNV-DOMZBBRYSA-N 2 0 265.401 1.942 10 0 CDAERP CC[C@@H]([NH3+])[C@@H](c1ccncc1)N(C)C1CC[NH+](C)CC1 ZINC000043353028 175020351 /nfs/dbraw/zinc/02/03/51/175020351.db2.gz FJVATYDOQJAOMZ-HZPDHXFCSA-N 2 0 276.428 1.886 10 0 CDAERP CC[C@H]([NH3+])[C@@H](c1ccncc1)N1CCC[N@H+](C)CC1 ZINC000043353167 175020421 /nfs/dbraw/zinc/02/04/21/175020421.db2.gz PGSTXRZVHNMRFL-LSDHHAIUSA-N 2 0 262.401 1.498 10 0 CDAERP CCC[NH+]1CCN(C[C@@H]([NH2+]C)c2ccc(OC)cc2)CC1 ZINC000043805315 175107794 /nfs/dbraw/zinc/10/77/94/175107794.db2.gz HVRWYNCNLHMJQA-QGZVFWFLSA-N 2 0 291.439 1.983 10 0 CDAERP C[NH2+][C@H](CN1CC[NH+](C)CC1)c1cc(C)ccc1OC ZINC000043810546 175109572 /nfs/dbraw/zinc/10/95/72/175109572.db2.gz XWFJPEFMNKYEFU-OAHLLOKOSA-N 2 0 277.412 1.512 10 0 CDAERP CC[NH2+][C@H](c1ccc(OC)cc1)[C@H](C)N1CC[NH+](C)CC1 ZINC000043810813 175110385 /nfs/dbraw/zinc/11/03/85/175110385.db2.gz BENXQEJLYSCJCO-YOEHRIQHSA-N 2 0 291.439 1.982 10 0 CDAERP CCC[NH2+][C@@H]1CCCCC[C@H]1N1CC[NH+](C)CC1 ZINC000043810949 175110453 /nfs/dbraw/zinc/11/04/53/175110453.db2.gz QLRCQJMJECRYNY-HUUCEWRRSA-N 2 0 253.434 1.935 10 0 CDAERP CCC[NH2+][C@@H]1CCC[C@@H]1N1CC[NH+](CC2CC2)CC1 ZINC000043967999 175129055 /nfs/dbraw/zinc/12/90/55/175129055.db2.gz NZEKLIGNUVMRKH-CVEARBPZSA-N 2 0 265.445 1.935 10 0 CDAERP CCC[NH2+][C@@H]1CCC[C@@H]1N(CCOC)[C@@H](C)COC ZINC000043976018 175132891 /nfs/dbraw/zinc/13/28/91/175132891.db2.gz FLHKDLWAEZWITG-ZNMIVQPWSA-N 2 0 272.433 1.890 10 0 CDAERP CC[C@H](CC[NH3+])[N@@H+]1CCCN(C(=O)OC(C)C)CC1 ZINC000044239611 175155583 /nfs/dbraw/zinc/15/55/83/175155583.db2.gz GCVMAOHHGRQQMW-CYBMUJFWSA-N 2 0 271.405 1.667 10 0 CDAERP CC[NH+]1CCC(C[NH2+]C[C@H](O)COC2CCCC2)CC1 ZINC000044518524 175191095 /nfs/dbraw/zinc/19/10/95/175191095.db2.gz ZUNDCTTURKCDRE-HNNXBMFYSA-N 2 0 284.444 1.628 10 0 CDAERP CC[NH+]1CCC([C@@H](C)[NH2+]CCOCCOC)CC1 ZINC000044694063 175234919 /nfs/dbraw/zinc/23/49/19/175234919.db2.gz QDNCSFWZDKGNSW-CYBMUJFWSA-N 2 0 258.406 1.359 10 0 CDAERP C[NH+](C)CCCNC(=O)C1(C[NH3+])CCCCCC1 ZINC000044753426 175245895 /nfs/dbraw/zinc/24/58/95/175245895.db2.gz CRTCFOKJBVXXJG-UHFFFAOYSA-N 2 0 255.406 1.354 10 0 CDAERP CCC[C@H](C[NH3+])C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000044798756 175255144 /nfs/dbraw/zinc/25/51/44/175255144.db2.gz AGEVQCSYRSDNGM-UONOGXRCSA-N 2 0 269.433 1.742 10 0 CDAERP CCC[C@@H](C[NH3+])C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000044806144 175256606 /nfs/dbraw/zinc/25/66/06/175256606.db2.gz IIPHFGBRRDVBNU-OLZOCXBDSA-N 2 0 255.406 1.352 10 0 CDAERP C[N@H+](C[C@H](O)COc1ccccc1C[NH3+])CC(C)(C)C ZINC000045068682 175300808 /nfs/dbraw/zinc/30/08/08/175300808.db2.gz UUZIGSJMJHXAGX-AWEZNQCLSA-N 2 0 280.412 1.863 10 0 CDAERP CC[NH2+]Cc1ccc(S(=O)(=O)NC[C@H](C)[NH+](C)C)cc1 ZINC000045110666 175310071 /nfs/dbraw/zinc/31/00/71/175310071.db2.gz JTOLBYOVIKYDPN-LBPRGKRZSA-N 2 0 299.440 1.025 10 0 CDAERP CCC[NH+]1CCN(CCC[C@@](C)([NH3+])C(=O)OCC)CC1 ZINC000045373983 175365906 /nfs/dbraw/zinc/36/59/06/175365906.db2.gz HVXKWWVTIZPHRQ-OAHLLOKOSA-N 2 0 285.432 1.075 10 0 CDAERP CCC[NH2+][C@](C)(CCCC[N@H+](C)CCC)C(N)=O ZINC000045382212 175371262 /nfs/dbraw/zinc/37/12/62/175371262.db2.gz AYRJSNKCGVVTLH-CQSZACIVSA-N 2 0 257.422 1.742 10 0 CDAERP C[N@H+](CCC[C@@](C)([NH2+]C1CC1)C(N)=O)CC1CC1 ZINC000045419983 175377669 /nfs/dbraw/zinc/37/76/69/175377669.db2.gz NMTSNPYULUZJDE-CQSZACIVSA-N 2 0 253.390 1.104 10 0 CDAERP CC(C)[NH2+][C@H]1CCN(C[C@@H](C)C[NH+]2CCCC2)C1=O ZINC000071031222 176022685 /nfs/dbraw/zinc/02/26/85/176022685.db2.gz ZTRFWFNVKHVAOV-KBPBESRZSA-N 2 0 267.417 1.317 10 0 CDAERP CCC[NH2+][C@H]1CCN(CCC[NH+](CC)CC)C1=O ZINC000071033350 176023612 /nfs/dbraw/zinc/02/36/12/176023612.db2.gz MZCHUTUJUXKRHH-ZDUSSCGKSA-N 2 0 255.406 1.319 10 0 CDAERP CC(C)[NH2+][C@@H]1CCCN(C[C@@H]2CCCC[N@@H+]2C)C1=O ZINC000071033673 176023974 /nfs/dbraw/zinc/02/39/74/176023974.db2.gz NPKPQCXBRMODBA-UONOGXRCSA-N 2 0 267.417 1.460 10 0 CDAERP CC[NH2+][C@@H]1CCCN([C@H]2CCC[N@H+](CC)C2)C1=O ZINC000071033629 176024178 /nfs/dbraw/zinc/02/41/78/176024178.db2.gz OSITYHSGXFJLFC-QWHCGFSZSA-N 2 0 253.390 1.071 10 0 CDAERP Cc1ccc([C@H](C)[N@H+](C)CCN2CC[NH2+]CC2)o1 ZINC000071148590 176044586 /nfs/dbraw/zinc/04/45/86/176044586.db2.gz OQUHDFGDCXQTGG-ZDUSSCGKSA-N 2 0 251.374 1.486 10 0 CDAERP CCc1ccc([C@@H](C[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)o1 ZINC000071188354 176062720 /nfs/dbraw/zinc/06/27/20/176062720.db2.gz OMGHKUPMCFJAMX-TZMCWYRMSA-N 2 0 265.401 1.725 10 0 CDAERP CCC[NH2+][C@@H]1CCOC[C@@H]1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189046 176064265 /nfs/dbraw/zinc/06/42/65/176064265.db2.gz ZNZCPPDZNGMGQV-KFWWJZLASA-N 2 0 269.433 1.027 10 0 CDAERP C[N@H+](C[C@H]1CC[NH+](C)C1)[C@@H]1CCc2ccccc2[C@@H]1O ZINC000071190559 176066659 /nfs/dbraw/zinc/06/66/59/176066659.db2.gz NQLLZDICDAKPSW-XKQJLSEDSA-N 2 0 274.408 1.918 10 0 CDAERP C[NH2+]Cc1oc(CN(C)C[C@@H]2CC[N@H+](C)C2)cc1C ZINC000071192032 176072734 /nfs/dbraw/zinc/07/27/34/176072734.db2.gz ACGZOUSKFKOUCN-CYBMUJFWSA-N 2 0 265.401 1.691 10 0 CDAERP CN(Cc1ccc(F)cc1C[NH3+])C[C@@H]1CC[N@H+](C)C1 ZINC000071263723 176096669 /nfs/dbraw/zinc/09/66/69/176096669.db2.gz QIPQPPWQHXYDCA-GFCCVEGCSA-N 2 0 265.376 1.668 10 0 CDAERP CC(C)(O)C[NH+]1CCN(C[C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000071381767 176145840 /nfs/dbraw/zinc/14/58/40/176145840.db2.gz MZLNAGDDMNYKBC-HUUCEWRRSA-N 2 0 283.460 1.283 10 0 CDAERP C[C@H]([NH3+])[C@@H]1CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000417943143 298978361 /nfs/dbraw/zinc/97/83/61/298978361.db2.gz UNAYWLZLCVRKQF-FGZQJIAISA-N 2 0 296.459 1.486 10 0 CDAERP CCC[C@H](CC[NH3+])CCC(=O)N[C@H](C)CC[NH+](C)C ZINC000079240765 177453880 /nfs/dbraw/zinc/45/38/80/177453880.db2.gz XJCSZKJKAPOUDV-KGLIPLIRSA-N 2 0 271.449 1.988 10 0 CDAERP C[NH2+][C@H]1CCC(C)(C)C[C@H]1N1CC[C@H]([NH+](C)C)C1 ZINC000079625905 177528770 /nfs/dbraw/zinc/52/87/70/177528770.db2.gz QOFJFYWQQPWSNL-MELADBBJSA-N 2 0 253.434 1.789 10 0 CDAERP C[C@@H](NC(=O)NCC[C@H](C)[NH+]1CCCCC1)[C@H](C)[NH3+] ZINC000417993894 227423368 /nfs/dbraw/zinc/42/33/68/227423368.db2.gz BKUWRCDZEOPPSH-RWMBFGLXSA-N 2 0 270.421 1.286 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+]C/C=C\Cl ZINC001666611279 1173154937 /nfs/dbraw/zinc/15/49/37/1173154937.db2.gz SXSBGBRIJFXTMK-QZPNVGJNSA-N 2 0 261.797 1.033 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000525719949 261227136 /nfs/dbraw/zinc/22/71/36/261227136.db2.gz VJRBVNPSTCDMPN-RLAWYHOSSA-N 2 0 265.401 1.070 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000525719948 261227215 /nfs/dbraw/zinc/22/72/15/261227215.db2.gz VJRBVNPSTCDMPN-FUDCBSFHSA-N 2 0 265.401 1.070 10 0 CDAERP Cc1[nH+]ccc(NC[C@H]2C[NH2+]CCCO2)c1Cl ZINC000390217811 262158386 /nfs/dbraw/zinc/15/83/86/262158386.db2.gz MSTAFZQADBIMOT-SNVBAGLBSA-N 2 0 255.749 1.256 10 0 CDAERP COc1ccccc1C[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249253 423791309 /nfs/dbraw/zinc/79/13/09/423791309.db2.gz KURGOIQPABKBHA-AWEZNQCLSA-N 2 0 276.380 1.648 10 0 CDAERP COC[C@H](C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)OC ZINC000662273479 423835000 /nfs/dbraw/zinc/83/50/00/423835000.db2.gz NDOUCFZZSHWFBR-ZNMIVQPWSA-N 2 0 270.417 1.359 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1C[C@]12CCC[NH2+]C2)C1CCCCC1 ZINC000655444500 423852287 /nfs/dbraw/zinc/85/22/87/423852287.db2.gz FMPAFJBKMWUSCL-WBVHZDCISA-N 2 0 293.455 1.757 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCC[C@@H]2C)CC1 ZINC000663506553 423901018 /nfs/dbraw/zinc/90/10/18/423901018.db2.gz UWAZHMFOXRNFTQ-ZFWWWQNUSA-N 2 0 281.444 1.755 10 0 CDAERP C[NH+](C)CC1(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CCCCC1 ZINC000655245605 424057897 /nfs/dbraw/zinc/05/78/97/424057897.db2.gz QCAUHAYIYGZNFM-GASCZTMLSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000652214839 424070971 /nfs/dbraw/zinc/07/09/71/424070971.db2.gz UIIFGCPFMYYCQX-ZIAGYGMSSA-N 2 0 284.448 1.262 10 0 CDAERP C[C@@H]1CCCN(C(=O)c2cc(C(C)(C)[NH3+])no2)[C@H]1C[NH3+] ZINC000662424533 424079158 /nfs/dbraw/zinc/07/91/58/424079158.db2.gz TVWUAVRPLWWSSO-ZJUUUORDSA-N 2 0 280.372 1.068 10 0 CDAERP [NH3+]C1CCC(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000130878169 424036400 /nfs/dbraw/zinc/03/64/00/424036400.db2.gz QUJCQNPEDBXMNH-PQAZSJQKSA-N 2 0 265.401 1.247 10 0 CDAERP C[NH+](C)[C@]1(CNC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)CCSC1 ZINC000653110868 424282005 /nfs/dbraw/zinc/28/20/05/424282005.db2.gz XGSZYKJRMMEWGN-NFAWXSAZSA-N 2 0 297.468 1.071 10 0 CDAERP CC(C)S(=O)(=O)CCCN1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352125 424289577 /nfs/dbraw/zinc/28/95/77/424289577.db2.gz JTJZYPBMEJJXFR-KBPBESRZSA-N 2 0 288.457 1.261 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653116662 424299264 /nfs/dbraw/zinc/29/92/64/424299264.db2.gz OLYMZUHCOOCUBR-QLFBSQMISA-N 2 0 281.444 1.755 10 0 CDAERP CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001667059509 1173227648 /nfs/dbraw/zinc/22/76/48/1173227648.db2.gz QVGVMKHFLHTXIH-KBPBESRZSA-N 2 0 269.433 1.707 10 0 CDAERP O=C([C@@H]1CCC[NH2+]CC1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000653125885 424319107 /nfs/dbraw/zinc/31/91/07/424319107.db2.gz AWKQIPYKCBOZAY-QLFBSQMISA-N 2 0 279.428 1.367 10 0 CDAERP C[C@H]1CC[C@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)CS1 ZINC000655686981 424386428 /nfs/dbraw/zinc/38/64/28/424386428.db2.gz GVPHAQZPFGQKKU-ZFWWWQNUSA-N 2 0 285.501 1.886 10 0 CDAERP CC[NH+](CC)C[C@@H]1CCN(C(=O)CC2([NH3+])CC2)C1 ZINC000662746923 424399498 /nfs/dbraw/zinc/39/94/98/424399498.db2.gz OXDFBESATNWIKK-LBPRGKRZSA-N 2 0 253.390 1.058 10 0 CDAERP CCCN(C(=O)NCC[C@@H]([NH3+])C(C)C)[C@H]1CC[NH2+]C1 ZINC000659618400 424413230 /nfs/dbraw/zinc/41/32/30/424413230.db2.gz HJQQPJVEBGEDDT-QWHCGFSZSA-N 2 0 270.421 1.143 10 0 CDAERP CCC[C@@H]1C[NH2+]CCN1C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659620255 424414710 /nfs/dbraw/zinc/41/47/10/424414710.db2.gz ZMWGWSJDDDSSBR-CHWSQXEVSA-N 2 0 270.421 1.143 10 0 CDAERP O=C(NC1CC([NH+]2CCCCC2)C1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655469720 424415007 /nfs/dbraw/zinc/41/50/07/424415007.db2.gz YUEUOILDECQCED-BOXZVXIZSA-N 2 0 291.439 1.509 10 0 CDAERP C[NH2+]C[C@@H](C)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000659648171 424531594 /nfs/dbraw/zinc/53/15/94/424531594.db2.gz REJAHHORYMHZEC-MCIONIFRSA-N 2 0 282.432 1.251 10 0 CDAERP C[N@@H+]1C[C@@H]2CN(C(=O)CC[NH2+]C(C)(C)C)C[C@]2(C)C1 ZINC000702278617 687016181 /nfs/dbraw/zinc/01/61/81/687016181.db2.gz ANNBNCYZUIYUAO-DOMZBBRYSA-N 2 0 267.417 1.175 10 0 CDAERP CC1(C)[C@@H]([NH2+]CCOCC(F)F)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925650550 687055704 /nfs/dbraw/zinc/05/57/04/687055704.db2.gz VQVIEZPRRSUODZ-USWWRNFRSA-N 2 0 262.344 1.634 10 0 CDAERP O=C(CC[C@@H]1CCC[NH2+]1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000261624364 687083935 /nfs/dbraw/zinc/08/39/35/687083935.db2.gz VDJGBZMHPNOOGA-UONOGXRCSA-N 2 0 265.401 1.215 10 0 CDAERP COCCC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001667457418 1173270873 /nfs/dbraw/zinc/27/08/73/1173270873.db2.gz BNZNEYCPNSAQIF-KFWWJZLASA-N 2 0 299.459 1.094 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC)C(C)C ZINC001667465156 1173272876 /nfs/dbraw/zinc/27/28/76/1173272876.db2.gz ULAOOWPYNVUOSW-KGLIPLIRSA-N 2 0 269.433 1.611 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H](n2cccn2)C(F)(F)F)C1 ZINC000530208635 271151055 /nfs/dbraw/zinc/15/10/55/271151055.db2.gz GILSQIKAYBCVBH-VWYCJHECSA-N 2 0 276.306 1.846 10 0 CDAERP CC1(C)CC(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000530214088 271155693 /nfs/dbraw/zinc/15/56/93/271155693.db2.gz XOSDFKIHEWNTEU-OAHLLOKOSA-N 2 0 293.455 1.566 10 0 CDAERP CC1(C)CC(C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)C1 ZINC000530227735 271170402 /nfs/dbraw/zinc/17/04/02/271170402.db2.gz ZPLDDRZSCOOUGP-CQSZACIVSA-N 2 0 277.416 1.810 10 0 CDAERP CC(C)[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353525266 276037898 /nfs/dbraw/zinc/03/78/98/276037898.db2.gz XLZNPGCGXKJMKE-KBUPBQIOSA-N 2 0 254.418 1.856 10 0 CDAERP CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000234329035 276828728 /nfs/dbraw/zinc/82/87/28/276828728.db2.gz QDMXAXYKWOSRDN-CQSZACIVSA-N 2 0 281.444 1.565 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000224048123 277063611 /nfs/dbraw/zinc/06/36/11/277063611.db2.gz ZWNOCPLMXZAXKS-CRWXNKLISA-N 2 0 265.401 1.118 10 0 CDAERP COC1(C[C@@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)CCC1 ZINC000442880892 277188725 /nfs/dbraw/zinc/18/87/25/277188725.db2.gz ZOHQLUZGJVPGRC-OAHLLOKOSA-N 2 0 297.487 1.950 10 0 CDAERP CC(C)([NH3+])CC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000084183131 277306003 /nfs/dbraw/zinc/30/60/03/277306003.db2.gz CSEDJXYEOROWQJ-UHFFFAOYSA-N 2 0 253.390 1.201 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000414694806 277489511 /nfs/dbraw/zinc/48/95/11/277489511.db2.gz GAGWETJQGVRLRH-CABCVRRESA-N 2 0 253.434 1.778 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)COc1cccc(F)c1 ZINC000422737916 277589436 /nfs/dbraw/zinc/58/94/36/277589436.db2.gz HXEVBZRDEMETJN-JSGCOSHPSA-N 2 0 284.375 1.937 10 0 CDAERP COc1cccc(N2CC[C@@H](C[NH2+][C@@H](C)C3C[NH2+]C3)C2)c1 ZINC000422900893 278016337 /nfs/dbraw/zinc/01/63/37/278016337.db2.gz KGVCSAMPDLFLJI-KBPBESRZSA-N 2 0 289.423 1.719 10 0 CDAERP COc1ccccc1N1CC[C@H]([NH2+][C@H]2CCC[C@H]2C[NH3+])C1 ZINC000422873713 278056025 /nfs/dbraw/zinc/05/60/25/278056025.db2.gz LWNNEGDYWPPALG-KKUMJFAQSA-N 2 0 289.423 1.991 10 0 CDAERP CC[NH+](CC)CCNC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000055122975 279105439 /nfs/dbraw/zinc/10/54/39/279105439.db2.gz WQIXWYFAFUXRRO-CHWSQXEVSA-N 2 0 255.406 1.352 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000341106178 279357435 /nfs/dbraw/zinc/35/74/35/279357435.db2.gz GINMXKRHACTDQD-HUUCEWRRSA-N 2 0 298.475 1.889 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(C)[C@H]1CC[NH+](C2CC2)C1 ZINC000360136547 279374477 /nfs/dbraw/zinc/37/44/77/279374477.db2.gz OQRDOFYSSDJULM-ZFWWWQNUSA-N 2 0 296.459 1.593 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000261892585 279478636 /nfs/dbraw/zinc/47/86/36/279478636.db2.gz QUAYILMHJSHUGH-CQSZACIVSA-N 2 0 281.444 1.693 10 0 CDAERP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000335486443 279657741 /nfs/dbraw/zinc/65/77/41/279657741.db2.gz LLKQOMVFLSXSET-ZFWWWQNUSA-N 2 0 288.395 1.006 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@H](C)Cn2cccn2)CC1 ZINC000138404030 279856188 /nfs/dbraw/zinc/85/61/88/279856188.db2.gz ZHPYZRSCQXAUFM-CQSZACIVSA-N 2 0 264.417 1.983 10 0 CDAERP CCSCC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000119418732 280036967 /nfs/dbraw/zinc/03/69/67/280036967.db2.gz SUZVCWFFIRSTOH-OAHLLOKOSA-N 2 0 285.501 1.841 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000227432922 280100161 /nfs/dbraw/zinc/10/01/61/280100161.db2.gz PBEMEMUEEIGELR-JHJVBQTASA-N 2 0 255.406 1.208 10 0 CDAERP O=C1C[C@H](c2ccccc2)[N@H+](C[C@H]2CCC[NH2+]C2)CCN1 ZINC000335013495 280274291 /nfs/dbraw/zinc/27/42/91/280274291.db2.gz WYMSNVZECNXDCK-GOEBONIOSA-N 2 0 287.407 1.549 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC(CC[NH3+])CC1 ZINC000517158832 280981009 /nfs/dbraw/zinc/98/10/09/280981009.db2.gz IOEUKEQWSNFTJV-CYBMUJFWSA-N 2 0 284.448 1.487 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CC[C@@H]1CC[NH2+]C1 ZINC000094440970 288294215 /nfs/dbraw/zinc/29/42/15/288294215.db2.gz WEEMZDHYIATTFA-QLFBSQMISA-N 2 0 251.418 1.545 10 0 CDAERP CC[C@H]1[C@@H](CO)CC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000451264019 281271916 /nfs/dbraw/zinc/27/19/16/281271916.db2.gz ZTZHVGKOTBDBDS-SJORKVTESA-N 2 0 297.487 1.495 10 0 CDAERP C[C@@H]1COCC[C@H]1[NH2+]CCC[NH2+][C@H]1CCOC[C@H]1C ZINC000433155834 288370344 /nfs/dbraw/zinc/37/03/44/288370344.db2.gz ZKIJNMOROGGFNT-TUVASFSCSA-N 2 0 270.417 1.406 10 0 CDAERP CCN(CC[NH2+]CC(C)C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001668646361 1173435761 /nfs/dbraw/zinc/43/57/61/1173435761.db2.gz YWZHSRDVALBZOR-OAHLLOKOSA-N 2 0 299.459 1.049 10 0 CDAERP C[NH+](C)C1CCC(NC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)CC1 ZINC000422606406 289063974 /nfs/dbraw/zinc/06/39/74/289063974.db2.gz IRIZDHMABJFCAC-PIMMBPRGSA-N 2 0 294.443 1.395 10 0 CDAERP C[NH+](C)CCCC[NH2+][C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000341709702 289111956 /nfs/dbraw/zinc/11/19/56/289111956.db2.gz LQCJJUAYFXCUMZ-QWHCGFSZSA-N 2 0 276.446 1.274 10 0 CDAERP CC[N@H+](CC(=O)N(C)C[C@H]1CCC[NH+]1CC)C1CC1 ZINC000153265736 289162266 /nfs/dbraw/zinc/16/22/66/289162266.db2.gz WDGSDUFMESDZIN-CQSZACIVSA-N 2 0 267.417 1.413 10 0 CDAERP C[C@H](C(=O)N1CCC[C@H]1C[NH+](C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000411914194 289278410 /nfs/dbraw/zinc/27/84/10/289278410.db2.gz SUMGAVNVBHGEJK-BARDWOONSA-N 2 0 281.444 1.800 10 0 CDAERP C[NH+](C)[C@H]1CC[C@H](NC(=O)N2CCC3(C2)CC[NH2+]CC3)C1 ZINC000334938379 289393289 /nfs/dbraw/zinc/39/32/89/289393289.db2.gz SNAZWBXVAWQHPN-KBPBESRZSA-N 2 0 294.443 1.254 10 0 CDAERP C[N@@H+]1CCN(C(=O)C[C@H]2CC[NH2+]C2)C2(CCCCC2)C1 ZINC000130925643 290013458 /nfs/dbraw/zinc/01/34/58/290013458.db2.gz UTDRLJUHILEISB-CQSZACIVSA-N 2 0 279.428 1.463 10 0 CDAERP C[NH+]1CCN(CCC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000367617501 290041816 /nfs/dbraw/zinc/04/18/16/290041816.db2.gz QJZVFXAFXQHMGI-ZACQAIPSSA-N 3 0 294.487 1.086 10 0 CDAERP C[C@H](O)CC[NH+]1CCCC2(CCC[N@@H+](CC[C@H](C)O)C2)C1 ZINC000451046390 290072640 /nfs/dbraw/zinc/07/26/40/290072640.db2.gz PAIDUTOZFOPIGD-PYNWJHIZSA-N 2 0 298.471 1.706 10 0 CDAERP CC[NH+](CC)CC1CC[NH+]([C@@H]2CCCN(C)C2=O)CC1 ZINC000554513394 290168001 /nfs/dbraw/zinc/16/80/01/290168001.db2.gz DTAYKVMZVVUXFM-OAHLLOKOSA-N 2 0 281.444 1.661 10 0 CDAERP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC000557569362 290353455 /nfs/dbraw/zinc/35/34/55/290353455.db2.gz HOOICYXFHDLXTA-WCVJEAGWSA-N 2 0 295.471 1.811 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCN1CCCC1(C)C ZINC000423167262 293095835 /nfs/dbraw/zinc/09/58/35/293095835.db2.gz RVIGFGGUYPBTNK-ZDUSSCGKSA-N 2 0 257.422 1.204 10 0 CDAERP CC(C)[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000563205445 293310176 /nfs/dbraw/zinc/31/01/76/293310176.db2.gz GBEOSARIVITFEH-XHSDSOJGSA-N 2 0 293.455 1.850 10 0 CDAERP CC(C)[NH2+]CCC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000567732841 293855176 /nfs/dbraw/zinc/85/51/76/293855176.db2.gz ZHRNFULMSHXMAS-UHFFFAOYSA-N 2 0 293.455 1.644 10 0 CDAERP CC1CC[NH+](CC(=O)N2CC3CCC2(C[NH3+])CC3)CC1 ZINC000567745329 293858589 /nfs/dbraw/zinc/85/85/89/293858589.db2.gz LAAULNCCDRJMRE-UHFFFAOYSA-N 2 0 279.428 1.448 10 0 CDAERP CC(C)[C@@H]1CC[C@H]([NH2+]CC(=O)N2CC[NH2+]CC2)C[C@H]1C ZINC000572111610 294558287 /nfs/dbraw/zinc/55/82/87/294558287.db2.gz MNZILTCMPCWMPJ-ILXRZTDVSA-N 2 0 281.444 1.469 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000574924053 295078121 /nfs/dbraw/zinc/07/81/21/295078121.db2.gz RGRBSSPCEWCEBS-BPUTZDHNSA-N 2 0 287.407 1.387 10 0 CDAERP COc1ccc([C@@H](N[C@@H](C)C[NH3+])[C@H]2CCC[NH2+]2)cc1 ZINC000423407154 295217005 /nfs/dbraw/zinc/21/70/05/295217005.db2.gz VLVSIPDOPRDKGO-NILFDRSVSA-N 2 0 263.385 1.425 10 0 CDAERP C[C@H](C(=O)N1CCO[C@@H](C[NH+](C)C)C1)[NH+]1CCCCCC1 ZINC000173643641 298063718 /nfs/dbraw/zinc/06/37/18/298063718.db2.gz IXVCJUFLSQSDOH-CABCVRRESA-N 2 0 297.443 1.040 10 0 CDAERP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCCC[NH3+] ZINC000417253265 298660391 /nfs/dbraw/zinc/66/03/91/298660391.db2.gz LGXFLTRBYDELHV-JHJVBQTASA-N 2 0 270.421 1.001 10 0 CDAERP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000423360894 302589373 /nfs/dbraw/zinc/58/93/73/302589373.db2.gz LVFPGBKBAYKDFZ-IFUGULHKSA-N 2 0 262.401 1.497 10 0 CDAERP Cn1nccc1[C@@H]1CCCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420362159 303072493 /nfs/dbraw/zinc/07/24/93/303072493.db2.gz ANQHLOXFMVLULT-ZFWWWQNUSA-N 2 0 262.401 1.947 10 0 CDAERP [NH3+][C@@H]1CCC[C@H](C(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000070576929 303462625 /nfs/dbraw/zinc/46/26/25/303462625.db2.gz PUGXQWSJFGCFNP-UONOGXRCSA-N 2 0 279.428 1.591 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]CC1=CCCCC1 ZINC001669750997 1173593087 /nfs/dbraw/zinc/59/30/87/1173593087.db2.gz VFMXXKDLBKIXJC-AWEZNQCLSA-N 2 0 281.444 1.921 10 0 CDAERP CC[NH2+]CCCN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001670189542 1173661378 /nfs/dbraw/zinc/66/13/78/1173661378.db2.gz QTXJKEKAYCMXCI-UHFFFAOYSA-N 2 0 283.460 1.957 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N2CC3CCC2(C[NH3+])CC3)cc1 ZINC000575877739 317032721 /nfs/dbraw/zinc/03/27/21/317032721.db2.gz UCTCCPBZWSSLOV-UHFFFAOYSA-N 2 0 273.380 1.489 10 0 CDAERP COCCC[NH+]1CCC([NH2+]C[C@H](C)COC)CC1 ZINC000187792548 323432705 /nfs/dbraw/zinc/43/27/05/323432705.db2.gz HYWWVGOSZZWESP-ZDUSSCGKSA-N 2 0 258.406 1.359 10 0 CDAERP CC[NH2+]CCCNC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000578729998 324006399 /nfs/dbraw/zinc/00/63/99/324006399.db2.gz GMLWBSFUORHWDI-UONOGXRCSA-N 2 0 284.448 1.358 10 0 CDAERP Cc1nc(NC2CC[NH+](C3CCC3)CC2)nc(N(C)C)n1 ZINC000578962791 324066281 /nfs/dbraw/zinc/06/62/81/324066281.db2.gz FELKAHKSFBLWDT-UHFFFAOYSA-N 2 0 290.415 1.097 10 0 CDAERP CCC[C@@H]1C[NH2+]CCN1C(=O)NCC1([NH3+])CCCCCC1 ZINC000579690004 324252825 /nfs/dbraw/zinc/25/28/25/324252825.db2.gz DTBFDPDHGWRFBT-CQSZACIVSA-N 2 0 296.459 1.822 10 0 CDAERP C[NH2+][C@@H]1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000580071990 324359422 /nfs/dbraw/zinc/35/94/22/324359422.db2.gz IXNNSPCCYKNXKV-OLZOCXBDSA-N 2 0 253.390 1.071 10 0 CDAERP CC[N@@H+]1CC[C@H](NC(=O)C[C@H](C)n2ccnc2)C1 ZINC000582790833 325045219 /nfs/dbraw/zinc/04/52/19/325045219.db2.gz HFFGESSFAUIZPR-RYUDHWBXSA-N 2 0 250.346 1.045 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN(C)[C@H]1CC[NH2+]C1 ZINC000583084682 325103368 /nfs/dbraw/zinc/10/33/68/325103368.db2.gz KSKCCALPURDEQE-HNNXBMFYSA-N 2 0 271.368 1.369 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000583563241 325199893 /nfs/dbraw/zinc/19/98/93/325199893.db2.gz JGKLZNNOCUCHBB-CYDGBPFRSA-N 2 0 270.421 1.236 10 0 CDAERP CCC[NH2+]C[C@H](CC(C)C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001698874254 1159152451 /nfs/dbraw/zinc/15/24/51/1159152451.db2.gz SUNBQCNRIBWQBV-CABCVRRESA-N 2 0 283.460 1.859 10 0 CDAERP C[N@@H+]1CCN(C(=O)[C@@H]2CCCC[C@H]2[NH3+])CC1(C)C ZINC000250808325 1159295323 /nfs/dbraw/zinc/29/53/23/1159295323.db2.gz SHNNCOXMYDAVII-VXGBXAGGSA-N 2 0 253.390 1.057 10 0 CDAERP CCN(CC[NH2+]CC1CC1)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001699204330 1159331092 /nfs/dbraw/zinc/33/10/92/1159331092.db2.gz GBTFLGDUQLFCNI-ZDUSSCGKSA-N 2 0 267.417 1.176 10 0 CDAERP O=C(NCC[N@H+](CCC1CC1)C1CC1)C12CC[NH+](CC1)C2 ZINC001481194650 1159552153 /nfs/dbraw/zinc/55/21/53/1159552153.db2.gz PAIZAUWWKHRYOH-UHFFFAOYSA-N 2 0 291.439 1.463 10 0 CDAERP CC(C)[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001670793906 1159855872 /nfs/dbraw/zinc/85/58/72/1159855872.db2.gz ZDTXIARTXOTHEG-UHFFFAOYSA-N 2 0 253.390 1.118 10 0 CDAERP COCC[NH2+]CC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001268402322 1159926025 /nfs/dbraw/zinc/92/60/25/1159926025.db2.gz GNOBSORZJWPCNZ-CABCVRRESA-N 2 0 299.459 1.382 10 0 CDAERP CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001700468319 1176956264 /nfs/dbraw/zinc/95/62/64/1176956264.db2.gz YRJGYKZRQXMNQH-ZIAGYGMSSA-N 2 0 269.433 1.563 10 0 CDAERP COCC[N@H+](C)C[C@H](C)NC(=O)C(C)(C)n1cnc(C)c1 ZINC001422835669 1160210564 /nfs/dbraw/zinc/21/05/64/1160210564.db2.gz ACAYOXIASMWTHU-ZDUSSCGKSA-N 2 0 296.415 1.010 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1CC1CC1 ZINC001700882220 1177178254 /nfs/dbraw/zinc/17/82/54/1177178254.db2.gz MBIZHCMYQVPLQX-OCCSQVGLSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@@H](C[NH2+]CC1CCC1)N(C)C(=O)CC[NH+](C)C ZINC001271093458 1160244349 /nfs/dbraw/zinc/24/43/49/1160244349.db2.gz OJPAWTGTILYRKE-LBPRGKRZSA-N 2 0 255.406 1.175 10 0 CDAERP CC(C)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001482476852 1160296598 /nfs/dbraw/zinc/29/65/98/1160296598.db2.gz YEWYCUOKMWZKPF-GJZGRUSLSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCCNC(=O)CC1([NH3+])CC1 ZINC000398067739 482241886 /nfs/dbraw/zinc/24/18/86/482241886.db2.gz IIPGGOOQZIQYCU-LBPRGKRZSA-N 2 0 253.390 1.249 10 0 CDAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)CC1([NH3+])CC1 ZINC000398164731 482244469 /nfs/dbraw/zinc/24/44/69/482244469.db2.gz LYHDMLRETODRGT-ZDUSSCGKSA-N 2 0 275.396 1.505 10 0 CDAERP c1cnn(-c2cccc(C[NH2+]C[C@H]3CC[NH2+]C3)c2)c1 ZINC000398291921 482246377 /nfs/dbraw/zinc/24/63/77/482246377.db2.gz BGCRCLILTSZSIH-AWEZNQCLSA-N 2 0 256.353 1.571 10 0 CDAERP C[NH+](C)CCC[C@H]1C[N@H+](C[C@H]2CCSC2)CCO1 ZINC000668784658 482312870 /nfs/dbraw/zinc/31/28/70/482312870.db2.gz HGBSQIWAVIDZFM-KGLIPLIRSA-N 2 0 272.458 1.782 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)C1CCC([NH3+])CC1 ZINC000226407135 482433377 /nfs/dbraw/zinc/43/33/77/482433377.db2.gz IRCSWMOWGZDBJK-UHFFFAOYSA-N 2 0 255.406 1.352 10 0 CDAERP c1cn(C[C@H]2CC[N@H+](Cc3cccc4nccn43)C2)nn1 ZINC000668453287 482443473 /nfs/dbraw/zinc/44/34/73/482443473.db2.gz QZJWYEFRBWIIEX-ZDUSSCGKSA-N 2 0 282.351 1.448 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000669520190 482553689 /nfs/dbraw/zinc/55/36/89/482553689.db2.gz WDJJTAIQXQKAMS-OLZOCXBDSA-N 2 0 275.396 1.160 10 0 CDAERP C[N@@H+]1CC[C@H](NC(=O)NC/C=C/C[NH3+])[C@H]1c1ccccc1 ZINC000669545776 482643184 /nfs/dbraw/zinc/64/31/84/482643184.db2.gz KZIYDLZXVYBGPV-ICWYTKJFSA-N 2 0 288.395 1.246 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000669286454 482647717 /nfs/dbraw/zinc/64/77/17/482647717.db2.gz WNQAGQCGRNRZBL-OLZOCXBDSA-N 2 0 270.421 1.158 10 0 CDAERP COC[C@@H](C)C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457254 482750640 /nfs/dbraw/zinc/75/06/40/482750640.db2.gz PEWKBKOWZHDVCO-HOCLYGCPSA-N 2 0 283.460 1.369 10 0 CDAERP C[NH+](C)CCN1CC[N@H+](CCC(C)(C)C2CC2)CC1=O ZINC000653778316 482842783 /nfs/dbraw/zinc/84/27/83/482842783.db2.gz SYUSEFWDCYVKSW-UHFFFAOYSA-N 2 0 281.444 1.519 10 0 CDAERP CCCN(C(=O)N[C@H]1CCC[N@H+](C)C1)C1CC[NH2+]CC1 ZINC000669403271 482888264 /nfs/dbraw/zinc/88/82/64/482888264.db2.gz QVOVWLFRLHEXAG-ZDUSSCGKSA-N 2 0 282.432 1.254 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)C[C@@H]([NH3+])C(C)C ZINC000136318640 482909736 /nfs/dbraw/zinc/90/97/36/482909736.db2.gz RJMOAPTUOVHFHL-CHWSQXEVSA-N 2 0 257.422 1.452 10 0 CDAERP CN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000684890861 483011574 /nfs/dbraw/zinc/01/15/74/483011574.db2.gz YYLJYGAFEKHQJR-CQSZACIVSA-N 2 0 282.432 1.208 10 0 CDAERP CC[NH+]1CCC(NC(=O)CN2CC[C@H](C)[C@@H](F)C2)CC1 ZINC000679218954 483070283 /nfs/dbraw/zinc/07/02/83/483070283.db2.gz CMRUNJVXHRJSCN-JSGCOSHPSA-N 2 0 285.407 1.267 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000089457920 483080958 /nfs/dbraw/zinc/08/09/58/483080958.db2.gz GQNCDZDLXJHPPC-HOTGVXAUSA-N 2 0 293.455 1.696 10 0 CDAERP CCc1cc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)no1 ZINC000682230752 483181222 /nfs/dbraw/zinc/18/12/22/483181222.db2.gz ZVLNKAJYDDKJPK-UHFFFAOYSA-N 2 0 297.403 1.194 10 0 CDAERP C[NH+](C)CCN1CC[N@H+](CC2CCCCC2)CC1=O ZINC000649688126 483229069 /nfs/dbraw/zinc/22/90/69/483229069.db2.gz SBDBBZKMJSUHRB-UHFFFAOYSA-N 2 0 267.417 1.273 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)NCC[N@H+](C)C1CCCC1 ZINC000136461904 483405553 /nfs/dbraw/zinc/40/55/53/483405553.db2.gz OQUWBFOJCGIFAJ-CYBMUJFWSA-N 2 0 255.406 1.350 10 0 CDAERP CC(C)[N@H+](C)CCCC[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000069137606 519617745 /nfs/dbraw/zinc/61/77/45/519617745.db2.gz DGISAPMPCFEXFJ-ZDUSSCGKSA-N 2 0 276.446 1.274 10 0 CDAERP CC(C)C[NH+]1CCN(C[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000055082066 519726739 /nfs/dbraw/zinc/72/67/39/519726739.db2.gz ZWTRMIRZNFEXAG-GJZGRUSLSA-N 2 0 253.434 1.778 10 0 CDAERP C[C@@H](C[NH2+]C[C@H]1CC(C)(C)CO1)NC(=O)CCC[NH+](C)C ZINC001483261160 1160885697 /nfs/dbraw/zinc/88/56/97/1160885697.db2.gz VMAALTDPPBMRME-UONOGXRCSA-N 2 0 299.459 1.238 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)C[C@H]1CCCC[NH2+]1 ZINC000049225471 519793083 /nfs/dbraw/zinc/79/30/83/519793083.db2.gz BSTDESMZMLOJBC-CHWSQXEVSA-N 2 0 255.406 1.221 10 0 CDAERP CCN(C(=O)C[N@H+](CCC[NH3+])C1CCCC1)C1CC1 ZINC000049292289 519909537 /nfs/dbraw/zinc/90/95/37/519909537.db2.gz KEZNTXKYJNUOPS-UHFFFAOYSA-N 2 0 267.417 1.591 10 0 CDAERP CC[NH2+]CC1(C[N@H+](C)[C@@H](C)COC)CCOCC1 ZINC000052182465 519912009 /nfs/dbraw/zinc/91/20/09/519912009.db2.gz LNOUUNHPGXVVED-ZDUSSCGKSA-N 2 0 258.406 1.359 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@H](COCC[NH+](CC)CC)O1 ZINC000052672007 519926962 /nfs/dbraw/zinc/92/69/62/519926962.db2.gz FJWXPCWUJHFJBG-LSDHHAIUSA-N 2 0 272.433 1.892 10 0 CDAERP CC[NH2+]Cc1cnc(N2CC[C@@H]([NH+](C)C)C2)s1 ZINC000062975090 520016420 /nfs/dbraw/zinc/01/64/20/520016420.db2.gz URRAUQIHILMWKT-SNVBAGLBSA-N 2 0 254.403 1.393 10 0 CDAERP C[NH+]1CCC(CCNC(=O)[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000157228369 1178198878 /nfs/dbraw/zinc/19/88/78/1178198878.db2.gz UGLRBSGWNZEFQA-ZIAGYGMSSA-N 2 0 267.417 1.352 10 0 CDAERP CC1CC[NH+](CCNC(=O)[C@H]2[C@@H](C)CCC[C@@H]2[NH3+])CC1 ZINC000055136678 521014398 /nfs/dbraw/zinc/01/43/98/521014398.db2.gz GXWRABSEWPPLRS-KKUMJFAQSA-N 2 0 281.444 1.598 10 0 CDAERP CC(C)CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001713421966 1178551724 /nfs/dbraw/zinc/55/17/24/1178551724.db2.gz BSZJCXDEZGNMBF-ZIAGYGMSSA-N 2 0 269.433 1.469 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]CC ZINC001715649805 1179751840 /nfs/dbraw/zinc/75/18/40/1179751840.db2.gz WRPXLWOICIEIGS-QWHCGFSZSA-N 2 0 255.406 1.365 10 0 CDAERP C[NH2+]CC1(CN2CCC[C@@H]2C[NH+](C)C)CCCC1 ZINC000061653472 521970091 /nfs/dbraw/zinc/97/00/91/521970091.db2.gz YQUVPWCWRGBXEE-CQSZACIVSA-N 2 0 253.434 1.792 10 0 CDAERP CCC[NH2+]CC(C)(C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001717459504 1180680471 /nfs/dbraw/zinc/68/04/71/1180680471.db2.gz DZMQLMFKVLUFMJ-UHFFFAOYSA-N 2 0 269.433 1.566 10 0 CDAERP C[NH2+]Cc1sc(N2CCC([NH+](C)C)CC2)nc1C ZINC000054997449 522167108 /nfs/dbraw/zinc/16/71/08/522167108.db2.gz NOGQBKQTZOEWOW-UHFFFAOYSA-N 2 0 268.430 1.701 10 0 CDAERP COCC[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001410922463 1161962209 /nfs/dbraw/zinc/96/22/09/1161962209.db2.gz WORAEBUAPKXHBD-GDBMZVCRSA-N 2 0 297.443 1.086 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]C(C)C ZINC001732461434 1182978019 /nfs/dbraw/zinc/97/80/19/1182978019.db2.gz WNOCRDWPPWXTQV-KGLIPLIRSA-N 2 0 269.433 1.706 10 0 CDAERP CC(C)(C)[NH+]1CCN(CCC[C@H]2CCC[NH2+]2)CC1 ZINC000052764425 518710579 /nfs/dbraw/zinc/71/05/79/518710579.db2.gz QLFOQPBAAUOEHJ-CQSZACIVSA-N 2 0 253.434 1.935 10 0 CDAERP CC(C)[NH+](CCNC(=O)C1CCC(C[NH3+])CC1)C(C)C ZINC000055146206 519646915 /nfs/dbraw/zinc/64/69/15/519646915.db2.gz QHWZFXBHOXWOON-UHFFFAOYSA-N 2 0 283.460 1.987 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)[C@@H]2CCSC2)O1 ZINC000052453592 519723432 /nfs/dbraw/zinc/72/34/32/519723432.db2.gz CKLZDCJPLDTDIL-RDBSUJKOSA-N 2 0 272.458 1.969 10 0 CDAERP CC(C)C[NH2+]CC1(C[N@@H+]2CCC[C@H]2CO)CCOCC1 ZINC000052183334 519742867 /nfs/dbraw/zinc/74/28/67/519742867.db2.gz RPJSVXNPKTYEEI-HNNXBMFYSA-N 2 0 284.444 1.486 10 0 CDAERP CC(C)C[NH2+]CCN1CC[NH+](C2CCCC2)CC1 ZINC000052573487 519744230 /nfs/dbraw/zinc/74/42/30/519744230.db2.gz IMGPDOPWZQLVFJ-UHFFFAOYSA-N 2 0 253.434 1.792 10 0 CDAERP CCC[NH+]1CCC(C[NH3+])(N(C)C[C@@H]2CCCCO2)CC1 ZINC000048947450 519842073 /nfs/dbraw/zinc/84/20/73/519842073.db2.gz TYVBGXAZXDVSAN-HNNXBMFYSA-N 2 0 283.460 1.691 10 0 CDAERP CCC[NH+]1CCC(NC(=O)C[C@H](C)[NH2+]CC)CC1 ZINC000061273710 519845017 /nfs/dbraw/zinc/84/50/17/519845017.db2.gz PNBXYVYEMLLDQY-LBPRGKRZSA-N 2 0 255.406 1.365 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@H]2C[C@H]([NH3+])CC[C@@H]2C)CC1 ZINC000055141540 519846218 /nfs/dbraw/zinc/84/62/18/519846218.db2.gz XHMSICKFIOSLRJ-GUTXKFCHSA-N 2 0 281.444 1.741 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000061298419 519905225 /nfs/dbraw/zinc/90/52/25/519905225.db2.gz WAMURUSFEANLKD-ZDUSSCGKSA-N 2 0 293.411 1.921 10 0 CDAERP CCC[NH2+]C1CCN([C@H]2CCC[N@H+](CC)C2)CC1 ZINC000049216633 519906975 /nfs/dbraw/zinc/90/69/75/519906975.db2.gz RAOMWSCHJKUBIF-HNNXBMFYSA-N 2 0 253.434 1.935 10 0 CDAERP CCOCC[N@@H+]1CCN(CC[C@@H]2CCC[NH+]2C)C[C@@H]1C ZINC000161675668 519919462 /nfs/dbraw/zinc/91/94/62/519919462.db2.gz MXASAKXEDCHPKU-HOTGVXAUSA-N 2 0 283.460 1.513 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)Cc2cnn(C)c2)O1 ZINC000052570421 519924400 /nfs/dbraw/zinc/92/44/00/519924400.db2.gz INZUVRGXIKMLET-LSDHHAIUSA-N 2 0 280.416 1.399 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000061235005 519961939 /nfs/dbraw/zinc/96/19/39/519961939.db2.gz KZSLBGMDISXSSS-LBPRGKRZSA-N 2 0 269.433 1.611 10 0 CDAERP CCC[NH2+][C@@H](CN(C)CC[NH+]1CCCC1)C1CC1 ZINC000069075543 520009249 /nfs/dbraw/zinc/00/92/49/520009249.db2.gz HGEQSKAHTCFDPC-HNNXBMFYSA-N 2 0 253.434 1.792 10 0 CDAERP CCC[NH2+][C@@H]1CCCC[C@@H]1N1CCN(CC[NH+](C)C)CC1 ZINC000061644050 520019960 /nfs/dbraw/zinc/01/99/60/520019960.db2.gz LBWAPQQALVMBCH-SJORKVTESA-N 2 0 296.503 1.476 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)NCCCC[N@H+](C)C(C)C ZINC000061274499 520165815 /nfs/dbraw/zinc/16/58/15/520165815.db2.gz JPMRLCMZCKCYLO-CYBMUJFWSA-N 2 0 257.422 1.611 10 0 CDAERP CC[NH2+][C@H]1CCC[C@H]1CN1CCC[C@@H]1C[NH+](C)C ZINC000061653563 520216365 /nfs/dbraw/zinc/21/63/65/520216365.db2.gz XVYRFJYBXKIPGL-ZNMIVQPWSA-N 2 0 253.434 1.791 10 0 CDAERP CCO[C@@H](C[NH3+])CCN1CC[NH+]([C@@H](C)CC)CC1 ZINC000062741264 520309043 /nfs/dbraw/zinc/30/90/43/520309043.db2.gz KBIXCFXJDWDCCC-UONOGXRCSA-N 2 0 257.422 1.156 10 0 CDAERP CCCCC[C@H](C[NH3+])N1CCN(CC[NH+](C)C)CC1 ZINC000061643219 520311307 /nfs/dbraw/zinc/31/13/07/520311307.db2.gz SVSQGFJUPRXBTC-OAHLLOKOSA-N 2 0 270.465 1.073 10 0 CDAERP CCC[C@H]([NH2+]C)[C@H](CC)N1CCN(CC[NH+](C)C)CC1 ZINC000061643995 521153731 /nfs/dbraw/zinc/15/37/31/521153731.db2.gz MISMKVGADYEVDS-HOTGVXAUSA-N 2 0 284.492 1.332 10 0 CDAERP CCC(C)(C)NC(=O)[C@@H](C)[NH2+]CCCC[NH+](C)C ZINC000045698300 521331985 /nfs/dbraw/zinc/33/19/85/521331985.db2.gz NIVRCKRFOOEQHR-GFCCVEGCSA-N 2 0 257.422 1.611 10 0 CDAERP CCC(CC)[C@@H](CNC(=O)[C@@H]1CC12CC[NH2+]CC2)[NH+](C)C ZINC000070255300 521604258 /nfs/dbraw/zinc/60/42/58/521604258.db2.gz OCSIRCYKAMLNNR-LSDHHAIUSA-N 2 0 295.471 1.859 10 0 CDAERP CCC(CC)[C@@H](CNC(=O)[C@H](C)C[NH2+]C)[NH+]1CCCC1 ZINC000236666116 521604471 /nfs/dbraw/zinc/60/44/71/521604471.db2.gz NQXKYKRJGHUDBH-UKRRQHHQSA-N 2 0 283.460 1.859 10 0 CDAERP CC[NH+]1CCN(CC2(C[NH2+]C(C)C)CCOCC2)CC1 ZINC000052180617 521678020 /nfs/dbraw/zinc/67/80/20/521678020.db2.gz JHNDWJZZVVIPEO-UHFFFAOYSA-N 2 0 283.460 1.419 10 0 CDAERP CC[NH+]1CCN(C[C@@H]2CC[C@@H](C[NH2+]C(C)(C)C)O2)CC1 ZINC000052422511 521685640 /nfs/dbraw/zinc/68/56/40/521685640.db2.gz LTJOZJKVKZKOOV-GJZGRUSLSA-N 2 0 283.460 1.560 10 0 CDAERP CC[NH+]1CCN(C[C@@H]2CC[C@H](C[NH2+]C(C)(C)C)O2)CC1 ZINC000052422509 521685732 /nfs/dbraw/zinc/68/57/32/521685732.db2.gz LTJOZJKVKZKOOV-CABCVRRESA-N 2 0 283.460 1.560 10 0 CDAERP CC[N@@H+]1CC[C@@H](CNC(=O)C2CCC(C[NH3+])CC2)C1 ZINC000055148044 521709424 /nfs/dbraw/zinc/70/94/24/521709424.db2.gz AYCLFGXDQSWHIF-MOKVOYLWSA-N 2 0 267.417 1.210 10 0 CDAERP C[NH+](C)CCN1CCN([C@H](C[NH3+])c2ccccc2F)CC1 ZINC000061642427 521768552 /nfs/dbraw/zinc/76/85/52/521768552.db2.gz PMJQJBFTKRIKSY-MRXNPFEDSA-N 2 0 294.418 1.005 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000061656221 521831906 /nfs/dbraw/zinc/83/19/06/521831906.db2.gz GUWSHVXEGDPXCW-AVGNSLFASA-N 2 0 253.390 1.057 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1[C@@H](C[NH3+])C1CCCCC1 ZINC000061642937 521842973 /nfs/dbraw/zinc/84/29/73/521842973.db2.gz QHMYEMYJHJMXHG-GJZGRUSLSA-N 2 0 253.434 1.920 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)CC[C@H]1CCCC[NH2+]1 ZINC000061645144 521860956 /nfs/dbraw/zinc/86/09/56/521860956.db2.gz BRYJAQCMWYIBMO-ZIAGYGMSSA-N 2 0 267.417 1.461 10 0 CDAERP CN(C(=O)c1ccc(C[NH+](C)C)nc1)[C@H]1CCC[N@H+](C)C1 ZINC000339285035 521892190 /nfs/dbraw/zinc/89/21/90/521892190.db2.gz SENSTLHDVWMLPG-HNNXBMFYSA-N 2 0 290.411 1.309 10 0 CDAERP C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2[C@@H]1CCC[N@H+](C)C1 ZINC000054602337 521953554 /nfs/dbraw/zinc/95/35/54/521953554.db2.gz QPDMJDMMHFUCJG-JALIKCBVSA-N 2 0 251.418 1.686 10 0 CDAERP C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C[C@@H]1CCCC[N@@H+]1C ZINC000054628965 521956828 /nfs/dbraw/zinc/95/68/28/521956828.db2.gz PMUVVGCZCBRGPE-DKUMPPAJSA-N 2 0 251.418 1.686 10 0 CDAERP C[NH2+]CC[C@H](C)N1CCC([NH+]2CCCCC2)CC1 ZINC000052484204 522018590 /nfs/dbraw/zinc/01/85/90/522018590.db2.gz TWYSRWIMMKDDMZ-AWEZNQCLSA-N 2 0 253.434 1.935 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]([NH3+])[C@@H](C)CC)CC1 ZINC000055077722 522112809 /nfs/dbraw/zinc/11/28/09/522112809.db2.gz XXZZGAUARDMGFD-XQQFMLRXSA-N 2 0 255.406 1.303 10 0 CDAERP C[NH2+]Cc1cc(N2CC[NH+](CC(C)C)CC2)ccn1 ZINC000055082593 522115046 /nfs/dbraw/zinc/11/50/46/522115046.db2.gz XJACZFFNURMEAK-UHFFFAOYSA-N 2 0 262.401 1.579 10 0 CDAERP CN(CC[NH+]1CCCC1)C(=O)C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000063055106 522823177 /nfs/dbraw/zinc/82/31/77/522823177.db2.gz NMCOHRHCJCHSOO-ZIAGYGMSSA-N 2 0 267.417 1.448 10 0 CDAERP CC[C@]1(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)CC[NH2+]C1 ZINC000062896822 523538401 /nfs/dbraw/zinc/53/84/01/523538401.db2.gz IZEWDMPKQSTREP-ZBFHGGJFSA-N 2 0 281.444 1.614 10 0 CDAERP COCC[N@H+](C)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052197726 523576658 /nfs/dbraw/zinc/57/66/58/523576658.db2.gz HNACMCCGVPAIIK-UHFFFAOYSA-N 2 0 256.390 1.113 10 0 CDAERP COCC[N@H+](C)C[C@@H]1CC[C@@H](C[NH2+]CC(C)C)O1 ZINC000052572947 523618659 /nfs/dbraw/zinc/61/86/59/523618659.db2.gz DLQIONNQMJTXHW-KBPBESRZSA-N 2 0 258.406 1.358 10 0 CDAERP COCC[N@H+](Cc1cccnc1C[NH3+])[C@H](C)C1CC1 ZINC000061656840 523762879 /nfs/dbraw/zinc/76/28/79/523762879.db2.gz GIUARSXKXAOGQV-GFCCVEGCSA-N 2 0 263.385 1.787 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CNC(=O)C1CCC(C[NH3+])CC1 ZINC000055162518 523798359 /nfs/dbraw/zinc/79/83/59/523798359.db2.gz QMZUGVZUKOBAHP-RUXDESIVSA-N 2 0 267.417 1.352 10 0 CDAERP CC[C@H](C)[NH+]1CCN(CC[NH2+]C2CCOCC2)CC1 ZINC000062767899 523952870 /nfs/dbraw/zinc/95/28/70/523952870.db2.gz KSBWOGHLAXPJJS-AWEZNQCLSA-N 2 0 269.433 1.171 10 0 CDAERP CC[C@H](C)[NH+]1CCN([C@@]2(C[NH3+])CCCSC2)CC1 ZINC000061590318 523958242 /nfs/dbraw/zinc/95/82/42/523958242.db2.gz OUHIKTCMJRIQIG-UONOGXRCSA-N 2 0 271.474 1.627 10 0 CDAERP CC[C@H](C)[NH+]1CCN(c2nc3c(cc2C[NH3+])CCC3)CC1 ZINC000055063365 523961637 /nfs/dbraw/zinc/96/16/37/523961637.db2.gz LWDLLTACLCPYLI-ZDUSSCGKSA-N 2 0 288.439 1.950 10 0 CDAERP CC[C@H](C)NC(=O)CC[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000052205697 523967679 /nfs/dbraw/zinc/96/76/79/523967679.db2.gz PBIYRXDNBXQHNA-KBPBESRZSA-N 2 0 269.433 1.755 10 0 CDAERP C[C@H]1CC[C@H](C)[C@H]([N@@H+]2CCC[C@@H]2C(=O)N2CC[NH2+]CC2)C1 ZINC000068632399 524398922 /nfs/dbraw/zinc/39/89/22/524398922.db2.gz JAQRJOJOTPILMT-CAOSSQGBSA-N 2 0 293.455 1.707 10 0 CDAERP C[C@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)N1CCC([NH+](C)C)CC1 ZINC000055128224 524414367 /nfs/dbraw/zinc/41/43/67/524414367.db2.gz HKAXEQLLGYYICP-OBJOEFQTSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@@H](C[NH3+])C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000054338667 524582102 /nfs/dbraw/zinc/58/21/02/524582102.db2.gz QMGYIKWJVIFQJM-LBPRGKRZSA-N 2 0 261.369 1.816 10 0 CDAERP C[C@H]([NH3+])c1ccccc1N1CCN(CC[NH+](C)C)CC1 ZINC000061644863 524867955 /nfs/dbraw/zinc/86/79/55/524867955.db2.gz YXUDYPCJWPFHRF-AWEZNQCLSA-N 2 0 276.428 1.390 10 0 CDAERP C[C@](CCC[N@@H+]1CCCC(C)(C)C1)([NH2+]C1CC1)C(N)=O ZINC000069516441 525138481 /nfs/dbraw/zinc/13/84/81/525138481.db2.gz PYQIYYSWPMAPLU-MRXNPFEDSA-N 2 0 281.444 1.885 10 0 CDAERP C[C@](C[NH3+])(C1CC1)N1CC[NH+](C2CCCC2)CC1 ZINC000052060653 525138761 /nfs/dbraw/zinc/13/87/61/525138761.db2.gz YCPYYRJRVDUIMW-HNNXBMFYSA-N 2 0 251.418 1.674 10 0 CDAERP C[C@H](NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)C(C)(C)C[NH+](C)C ZINC000262666739 525154683 /nfs/dbraw/zinc/15/46/83/525154683.db2.gz KRKPEUHGZMTTRA-XGUBFFRZSA-N 2 0 295.471 2.000 10 0 CDAERP COc1ccc([C@@H](O)C[NH2+][C@@H](C)CC[NH+](C)C)cc1 ZINC000049557323 525207417 /nfs/dbraw/zinc/20/74/17/525207417.db2.gz WVLDKHJBNZYQND-WFASDCNBSA-N 2 0 266.385 1.658 10 0 CDAERP O=C(CC[C@H]1CC[NH2+]C1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000227333410 526572738 /nfs/dbraw/zinc/57/27/38/526572738.db2.gz KUSNJJRNOYWTAZ-UONOGXRCSA-N 2 0 265.401 1.073 10 0 CDAERP NNc1[nH+]cccc1C[N@@H+]1CCC[C@H]1CCCO ZINC000052763244 527288538 /nfs/dbraw/zinc/28/85/38/527288538.db2.gz WMMHBAXDHNMVIQ-LBPRGKRZSA-N 2 0 250.346 1.104 10 0 CDAERP NNc1[nH+]cccc1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062969631 527288967 /nfs/dbraw/zinc/28/89/67/527288967.db2.gz JMVQGLNIHFPUCG-AWEZNQCLSA-N 2 0 275.400 1.427 10 0 CDAERP CC[NH+](CC)CCCC1CCN(C(=O)NCCC[NH3+])CC1 ZINC000418341461 535498101 /nfs/dbraw/zinc/49/81/01/535498101.db2.gz DKAFWMULJSKOHO-UHFFFAOYSA-N 2 0 298.475 1.879 10 0 CDAERP COc1ccc([C@H](N[C@@H]2CCC[NH2+]C2)[C@H]2CCC[NH2+]2)cc1 ZINC000423190736 536931296 /nfs/dbraw/zinc/93/12/96/536931296.db2.gz OAHPBUHAWDPFTE-OIISXLGYSA-N 2 0 289.423 1.830 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H]1C[C@@H]([NH2+]CCCF)C1 ZINC001691757958 1174454596 /nfs/dbraw/zinc/45/45/96/1174454596.db2.gz OVOGAORZRJJLCS-TUVASFSCSA-N 2 0 299.434 1.703 10 0 CDAERP [NH3+]CC1(C2(O)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000669377797 545557748 /nfs/dbraw/zinc/55/77/48/545557748.db2.gz WZCNNTWTKYRMGD-UHFFFAOYSA-N 2 0 260.381 1.752 10 0 CDAERP Cc1nn(C)c2sc([C@H]3C[C@@H](C[NH3+])CC[NH2+]3)cc12 ZINC000757215021 574907639 /nfs/dbraw/zinc/90/76/39/574907639.db2.gz MXNKQOGDTLHURU-GXSJLCMTSA-N 2 0 264.398 1.943 10 0 CDAERP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000765000165 575973675 /nfs/dbraw/zinc/97/36/75/575973675.db2.gz IMSFDWSVADIEOT-DLBZAZTESA-N 2 0 289.423 1.403 10 0 CDAERP C[C@H]1CN(C)C[C@@H]1[NH2+]CCc1ccc(Cl)nc1 ZINC000760703116 576503244 /nfs/dbraw/zinc/50/32/44/576503244.db2.gz XGYFUFXRXLXIEL-JQWIXIFHSA-N 2 0 253.777 1.817 10 0 CDAERP C[NH+](C)C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000763284326 576729188 /nfs/dbraw/zinc/72/91/88/576729188.db2.gz RKWGIFNUUWUOGE-OAHLLOKOSA-N 2 0 295.471 1.909 10 0 CDAERP COc1ccc([C@H](O)C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925538899 617476936 /nfs/dbraw/zinc/47/69/36/617476936.db2.gz UNBRSNLNNJQCOR-QLFBSQMISA-N 2 0 276.380 1.588 10 0 CDAERP COc1ccc([C@H](O)C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925538887 617478807 /nfs/dbraw/zinc/47/88/07/617478807.db2.gz UNBRSNLNNJQCOR-ILXRZTDVSA-N 2 0 276.380 1.588 10 0 CDAERP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)C[C@@H](C)O1 ZINC000925569357 617517683 /nfs/dbraw/zinc/51/76/83/617517683.db2.gz PQJOQZZVSGHMFF-KLHDSHLOSA-N 3 0 295.471 1.735 10 0 CDAERP C[C@H](CC(N)=O)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925576802 617525903 /nfs/dbraw/zinc/52/59/03/617525903.db2.gz ZAXAVVLDXLIYKA-RAIGVLPGSA-N 2 0 253.390 1.008 10 0 CDAERP CN1CCC[N@H+](CCCN[C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925607518 617550507 /nfs/dbraw/zinc/55/05/07/617550507.db2.gz CHBUZJGXSAHMRV-INIZCTEOSA-N 2 0 294.487 1.278 10 0 CDAERP O[C@H](CN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1)C[NH+]1CCCC1 ZINC000925614408 617559647 /nfs/dbraw/zinc/55/96/47/617559647.db2.gz WTICSEUSZNJNKQ-IXDOHACOSA-N 2 0 295.471 1.201 10 0 CDAERP CC(C)C(=O)NCCC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925627138 617574288 /nfs/dbraw/zinc/57/42/88/617574288.db2.gz WYJWOAWGWORJKQ-JKSUJKDBSA-N 2 0 295.471 1.907 10 0 CDAERP CC(C)C(=O)NCCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925626458 617572844 /nfs/dbraw/zinc/57/28/44/617572844.db2.gz QGLNOLSSATUQRQ-CYBMUJFWSA-N 2 0 267.417 1.413 10 0 CDAERP CC1(C)CC[C@@H]([NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1 ZINC000925858126 617896656 /nfs/dbraw/zinc/89/66/56/617896656.db2.gz SFHNSSOQPWPHEI-CHWSQXEVSA-N 2 0 280.412 1.840 10 0 CDAERP CC(C)[C@H](CO)C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925674637 617634146 /nfs/dbraw/zinc/63/41/46/617634146.db2.gz SWTCHJBRVHYHLR-CRWXNKLISA-N 2 0 254.418 1.617 10 0 CDAERP C[C@H](CCc1ccco1)[NH2+]C1CCN(CCO)CC1 ZINC000399115853 617643673 /nfs/dbraw/zinc/64/36/73/617643673.db2.gz GAVZTFOPHDIBPK-CYBMUJFWSA-N 2 0 266.385 1.647 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000925691451 617694546 /nfs/dbraw/zinc/69/45/46/617694546.db2.gz NEAKDZDOAHOMFL-TUVASFSCSA-N 2 0 281.444 1.345 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCc1ccnn1-c1ccccc1 ZINC000925804851 617743284 /nfs/dbraw/zinc/74/32/84/617743284.db2.gz NUIJQVYZEVDVGX-CVEARBPZSA-N 2 0 270.380 1.884 10 0 CDAERP NC(=O)[C@H]1C[C@@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925701954 617753270 /nfs/dbraw/zinc/75/32/70/617753270.db2.gz INOVMNFMWYOVQF-MJBXVCDLSA-N 2 0 261.369 1.320 10 0 CDAERP CC1(C)[C@@H]([NH2+]CCCCCC[NH3+])[C@@H]2CCC[NH2+][C@@H]21 ZINC000925706311 617791693 /nfs/dbraw/zinc/79/16/93/617791693.db2.gz CENJLBDPCYZBKU-IHRRRGAJSA-N 3 0 253.434 1.872 10 0 CDAERP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925850925 617886642 /nfs/dbraw/zinc/88/66/42/617886642.db2.gz ABZHYWBWNCULSF-RDBSUJKOSA-N 2 0 280.412 1.840 10 0 CDAERP COC[C@@H](CC(C)C)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925854856 617892612 /nfs/dbraw/zinc/89/26/12/617892612.db2.gz NXHKHSZSUPAYFA-ZIAGYGMSSA-N 2 0 298.427 1.322 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@@H]2C[C@H](C)n3ncnc32)CC1 ZINC000924954209 618390573 /nfs/dbraw/zinc/39/05/73/618390573.db2.gz FYPGXGIVHZSMJT-GXTWGEPZSA-N 2 0 277.416 1.996 10 0 CDAERP COc1ccccc1[C@H](O)C[NH2+][C@H](C)CCCC[NH3+] ZINC000817891334 618485712 /nfs/dbraw/zinc/48/57/12/618485712.db2.gz AAXPWEHYMUTLIA-TZMCWYRMSA-N 2 0 266.385 1.836 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000924988483 618549207 /nfs/dbraw/zinc/54/92/07/618549207.db2.gz BCJQNDRXAOBXOA-ZACQAIPSSA-N 2 0 294.487 1.229 10 0 CDAERP Cc1coc(CN2CCC([NH+]3CCN(C)CC3)CC2)c1 ZINC000895462551 619678725 /nfs/dbraw/zinc/67/87/25/619678725.db2.gz YUESVRHJKVEFCK-UHFFFAOYSA-N 2 0 277.412 1.800 10 0 CDAERP C[C@@H](C[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1)N1CC[NH+](C)CC1 ZINC000902793765 625410776 /nfs/dbraw/zinc/41/07/76/625410776.db2.gz LOOQHCNSCGTMTE-JONQDZQNSA-N 2 0 265.445 1.791 10 0 CDAERP C[C@H](C[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C[NH+](C)C ZINC000902998467 625761100 /nfs/dbraw/zinc/76/11/00/625761100.db2.gz DKARIUUWURYGTL-MNQBEEPXSA-N 2 0 252.402 1.587 10 0 CDAERP CCO[C@H](CN[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C[NH+](C)C ZINC000926958879 621630204 /nfs/dbraw/zinc/63/02/04/621630204.db2.gz HXUAHVGJMQOEIY-BZUAXINKSA-N 2 0 283.460 1.560 10 0 CDAERP CCO[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)C[NH+](C)C ZINC000926964233 621634839 /nfs/dbraw/zinc/63/48/39/621634839.db2.gz WSUSXNVBBFPHDS-FPCVCCKLSA-N 2 0 283.460 1.416 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCOC2CCOCC2)[C@H]2CCC[C@H]21 ZINC000927076603 621686248 /nfs/dbraw/zinc/68/62/48/621686248.db2.gz KFZBSVUNWHMDCN-OWCLPIDISA-N 2 0 282.428 1.644 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)N[C@H]1CCCN(CCF)C1 ZINC000898503626 621779618 /nfs/dbraw/zinc/77/96/18/621779618.db2.gz LOPPEHUJRHOACT-QWHCGFSZSA-N 2 0 285.407 1.409 10 0 CDAERP CC[NH+]1CCC(CNC(=[NH2+])N[C@H](C)C2CC2)CC1 ZINC000899265206 622129152 /nfs/dbraw/zinc/12/91/52/622129152.db2.gz UJTKGLLMIIQSIN-LLVKDONJSA-N 2 0 252.406 1.631 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C12CC[NH+](CC1)C2 ZINC000900216428 622808536 /nfs/dbraw/zinc/80/85/36/622808536.db2.gz VKOGTXUKYJVQJI-OAHLLOKOSA-N 2 0 293.455 1.853 10 0 CDAERP CCOC(=O)[C@@H]1CCCN(CCC[NH2+]C2CC2)C1 ZINC000042409174 623892169 /nfs/dbraw/zinc/89/21/69/623892169.db2.gz ARAFENYKURMTFC-GFCCVEGCSA-N 2 0 254.374 1.404 10 0 CDAERP [NH3+]CCCCCCN1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903542911 626016482 /nfs/dbraw/zinc/01/64/82/626016482.db2.gz ZLEUMORRQZLTIV-MNOVXSKESA-N 2 0 267.339 1.717 10 0 CDAERP COCCOC1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903438052 625991730 /nfs/dbraw/zinc/99/17/30/625991730.db2.gz QKBBEFOVTOFGIU-OLZOCXBDSA-N 2 0 256.390 1.241 10 0 CDAERP C[N@@H+]1CC[C@@H](NC[C@H]2CCC[NH2+]2)[C@H]1c1ccccc1 ZINC000903458965 625994612 /nfs/dbraw/zinc/99/46/12/625994612.db2.gz OLMKFBXTLALZTD-BZUAXINKSA-N 2 0 259.397 1.773 10 0 CDAERP COC(=O)[C@@H](C)[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1 ZINC000903458683 625994681 /nfs/dbraw/zinc/99/46/81/625994681.db2.gz GXBVMRXQXKFBHU-VRKREXBASA-N 2 0 290.407 1.982 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCS[C@@H]3COCC[C@H]32)C1 ZINC000903460655 625995835 /nfs/dbraw/zinc/99/58/35/625995835.db2.gz GZAIURNPSKDGEE-UMSGYPCISA-N 2 0 256.415 1.320 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000903453775 626001465 /nfs/dbraw/zinc/00/14/65/626001465.db2.gz LCXNTUZVRPTBAF-CFVMTHIKSA-N 3 0 251.418 1.578 10 0 CDAERP C(c1[nH]nc2c1COCC2)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000903748855 626071981 /nfs/dbraw/zinc/07/19/81/626071981.db2.gz BTTMTZPKWIIJQR-ZDUSSCGKSA-N 2 0 290.411 1.304 10 0 CDAERP C(N[C@H]1CC[NH2+]C12CCCC2)[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903784467 626093640 /nfs/dbraw/zinc/09/36/40/626093640.db2.gz PUFROXHFFBPVAC-QLFBSQMISA-N 2 0 279.428 1.019 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@H+](C)[C@H]2CCSC2)cnn1C ZINC000903880240 626130648 /nfs/dbraw/zinc/13/06/48/626130648.db2.gz OUGQPXUNLPDDAY-OCCSQVGLSA-N 2 0 282.457 1.283 10 0 CDAERP COCC[N@H+](CC(C)C)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903887052 626134147 /nfs/dbraw/zinc/13/41/47/626134147.db2.gz YERHTXXQQLYCKD-HNNXBMFYSA-N 2 0 296.459 1.450 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C[C@@H]([NH3+])CC(F)F)[C@H](C)C1 ZINC000903896139 626136536 /nfs/dbraw/zinc/13/65/36/626136536.db2.gz SMUFEKDIRPIXPP-WOPDTQHZSA-N 2 0 263.376 1.631 10 0 CDAERP Cc1ccccc1C[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903920399 626146556 /nfs/dbraw/zinc/14/65/56/626146556.db2.gz IXXAGGSSDQPGMW-HNNXBMFYSA-N 2 0 285.395 1.801 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[NH2+][C@]2(C)CC=CCC2)cnn1C ZINC000903929272 626150397 /nfs/dbraw/zinc/15/03/97/626150397.db2.gz CWVYEVFFIOBAPU-GDBMZVCRSA-N 2 0 276.428 1.934 10 0 CDAERP [NH3+]C[C@@H]1c2ccccc2CCN1C[C@H]([NH3+])CC(F)F ZINC000903931578 626151607 /nfs/dbraw/zinc/15/16/07/626151607.db2.gz FQQUWNYWSJCYDQ-DGCLKSJQSA-N 2 0 269.339 1.527 10 0 CDAERP N[C@@H](C[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000903915881 626156569 /nfs/dbraw/zinc/15/65/69/626156569.db2.gz CWYLKKJCYZTDMJ-WDVRLDOZSA-N 2 0 259.397 1.807 10 0 CDAERP COC[C@@H]([NH2+]CC1CC[NH2+]CC1)[C@H]1CCCOC1 ZINC000903959703 626159837 /nfs/dbraw/zinc/15/98/37/626159837.db2.gz MOUZFVCKNDUXDM-UONOGXRCSA-N 2 0 256.390 1.017 10 0 CDAERP COC[C@H]([NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)[C@@H]1CCCOC1 ZINC000903960074 626159912 /nfs/dbraw/zinc/15/99/12/626159912.db2.gz WMXXBFFCSDWSAU-TUVASFSCSA-N 2 0 270.417 1.406 10 0 CDAERP C[N@@H+]1CCC[C@H](CCNC(=[NH2+])NC[C@@H]2CCCS2)C1 ZINC000905044911 626383631 /nfs/dbraw/zinc/38/36/31/626383631.db2.gz WDOUKMLSRRCUOC-OLZOCXBDSA-N 2 0 284.473 1.728 10 0 CDAERP C[NH+](C)[C@@H](CC(=O)NC1CC([NH+](C)C)C1)c1ccccc1 ZINC000908010345 627971638 /nfs/dbraw/zinc/97/16/38/627971638.db2.gz WHTWSRHEOUOQFN-GPANFISMSA-N 2 0 289.423 1.888 10 0 CDAERP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)C[C@H]21 ZINC000909144934 628543464 /nfs/dbraw/zinc/54/34/64/628543464.db2.gz BCUFBVKNSYCJND-QMIVOQANSA-N 2 0 277.412 1.022 10 0 CDAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CC([NH+]2CCCC2)C1 ZINC000912325272 629937063 /nfs/dbraw/zinc/93/70/63/629937063.db2.gz VIUNHWSIBCJUOG-STQMWFEESA-N 2 0 265.401 1.166 10 0 CDAERP CC[C@@H]1CN(C(=O)CC[NH2+]C(C)(C)C)C[C@H](C)[NH2+]1 ZINC000826678623 630658200 /nfs/dbraw/zinc/65/82/00/630658200.db2.gz CWHZFQPPBOHGSQ-NWDGAFQWSA-N 2 0 255.406 1.364 10 0 CDAERP C[NH+](C)[C@H](CC(=O)NC12CC[NH+](CC1)C2)c1ccccc1 ZINC000913633446 630725448 /nfs/dbraw/zinc/72/54/48/630725448.db2.gz FDAJVPKZZMGPKK-OAHLLOKOSA-N 2 0 287.407 1.644 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000914069253 631007566 /nfs/dbraw/zinc/00/75/66/631007566.db2.gz VGXUOAAHNDWNON-FRRDWIJNSA-N 2 0 270.421 1.109 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)CCC23CC(C2)C[NH2+]3)C1 ZINC000870950527 685367780 /nfs/dbraw/zinc/36/77/80/685367780.db2.gz HHOWDYQFGYHOQI-TUBUQKNSSA-N 2 0 293.455 1.755 10 0 CDAERP C[NH+](C)Cc1cc(CNC(=O)C[C@@H]([NH3+])C2CC2)ccc1F ZINC000829707130 685422614 /nfs/dbraw/zinc/42/26/14/685422614.db2.gz VFJALSJMIUVSHI-OAHLLOKOSA-N 2 0 293.386 1.631 10 0 CDAERP CC1(C)C[C@@H](C[NH+]2CCC([NH2+]CCO)CC2)C(C)(C)O1 ZINC000709701452 685470161 /nfs/dbraw/zinc/47/01/61/685470161.db2.gz FMUOQHGVKBKCIE-ZDUSSCGKSA-N 2 0 284.444 1.626 10 0 CDAERP C[C@H]1CCC[N@@H+]1CCNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870926552 685625323 /nfs/dbraw/zinc/62/53/23/685625323.db2.gz HNFXSIUSLCKWGI-OPFPJEHXSA-N 2 0 265.401 1.119 10 0 CDAERP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cn(C2CC2)cn1 ZINC000865530658 684306531 /nfs/dbraw/zinc/30/65/31/684306531.db2.gz GPHFGVORBWSSSW-AWEZNQCLSA-N 2 0 291.443 1.334 10 0 CDAERP C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cccnc1 ZINC000925849787 684321544 /nfs/dbraw/zinc/32/15/44/684321544.db2.gz FNHGDDDEADOJHD-GXTWGEPZSA-N 2 0 289.379 1.418 10 0 CDAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](C[C@@H]1CCC3(CCC3)O1)CC2 ZINC000923445651 684333054 /nfs/dbraw/zinc/33/30/54/684333054.db2.gz KVJHSVWKKALAAC-GJZGRUSLSA-N 2 0 294.439 1.918 10 0 CDAERP CCOCCOCC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925875744 684344644 /nfs/dbraw/zinc/34/46/44/684344644.db2.gz VSSGYSZNJLGSPR-STQMWFEESA-N 2 0 258.406 1.535 10 0 CDAERP Cc1nccn1CCC[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923451083 684347365 /nfs/dbraw/zinc/34/73/65/684347365.db2.gz LSZMDSDSVLNZQS-HNNXBMFYSA-N 2 0 292.427 1.411 10 0 CDAERP COC(=O)c1cnc(C[N@H+](C)CCCCCC[NH3+])cn1 ZINC000872156774 684349319 /nfs/dbraw/zinc/34/93/19/684349319.db2.gz MENIVUKEEKWTSN-UHFFFAOYSA-N 2 0 280.372 1.214 10 0 CDAERP Cc1cc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)nn1C ZINC000922684967 684374466 /nfs/dbraw/zinc/37/44/66/684374466.db2.gz DOEQYDQDDIGNIC-DZGCQCFKSA-N 2 0 262.401 1.487 10 0 CDAERP C[C@H]([NH2+]C[C@@H](O)CC(C)(C)O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000872205638 684419347 /nfs/dbraw/zinc/41/93/47/684419347.db2.gz KWFVPHPAHXDQNS-DZKIICNBSA-N 2 0 298.471 1.751 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000863543723 684420906 /nfs/dbraw/zinc/42/09/06/684420906.db2.gz WPNYGEXYIJXSOU-LBPRGKRZSA-N 2 0 264.369 1.508 10 0 CDAERP CC(C)COC[C@H](O)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000923389483 684421629 /nfs/dbraw/zinc/42/16/29/684421629.db2.gz RHPHEDTXTQTGLQ-IAGOWNOFSA-N 2 0 298.471 1.732 10 0 CDAERP C[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2F)C[C@H]1CC[NH3+] ZINC000923429784 684448829 /nfs/dbraw/zinc/44/88/29/684448829.db2.gz AGUIZTDBBJJAMK-HFAKWTLXSA-N 2 0 284.350 1.915 10 0 CDAERP C[C@H](C(=O)N1CCCCC1)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923501658 684483223 /nfs/dbraw/zinc/48/32/23/684483223.db2.gz RVKVZSPYOOGXLV-MGPQQGTHSA-N 2 0 267.417 1.304 10 0 CDAERP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCOC23CCOCC3)CC1 ZINC000926116465 684499840 /nfs/dbraw/zinc/49/98/40/684499840.db2.gz ZVZZZZRGCFNQMZ-CQSZACIVSA-N 2 0 282.428 1.646 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712627107 684518342 /nfs/dbraw/zinc/51/83/42/684518342.db2.gz QQYNAGNQYKKREC-OLZOCXBDSA-N 2 0 267.417 1.317 10 0 CDAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCOC1CCOCC1 ZINC000925877615 684539177 /nfs/dbraw/zinc/53/91/77/684539177.db2.gz KLJUAJOKEJWZIH-GFCCVEGCSA-N 2 0 293.411 1.695 10 0 CDAERP [NH3+]C[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1C(F)(F)F ZINC000720842408 684566435 /nfs/dbraw/zinc/56/64/35/684566435.db2.gz ZSXUASOBJCRODW-MNOVXSKESA-N 2 0 266.307 1.482 10 0 CDAERP C[C@H]([NH2+]C[C@H](O)C1CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000838929238 684580265 /nfs/dbraw/zinc/58/02/65/684580265.db2.gz FRDJCZHSDLKWFI-NOLJZWGESA-N 2 0 266.429 2.000 10 0 CDAERP O[C@H](C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)c1ccccc1 ZINC000714994168 684618691 /nfs/dbraw/zinc/61/86/91/684618691.db2.gz GQVMZSLEZXFSAV-OWCLPIDISA-N 2 0 260.381 1.794 10 0 CDAERP COC(=O)C[C@@H]1C[N@H+](CCCn2ccnc2C)C[C@H]1C ZINC000932105692 684639350 /nfs/dbraw/zinc/63/93/50/684639350.db2.gz YKJNTQVSNVELTM-TZMCWYRMSA-N 2 0 279.384 1.713 10 0 CDAERP CN(C[C@H]1CC[C@@H](C(F)(F)F)O1)C1(C[NH3+])CCOCC1 ZINC000725064737 684645566 /nfs/dbraw/zinc/64/55/66/684645566.db2.gz VDJAEKSOYQVHIK-MNOVXSKESA-N 2 0 296.333 1.536 10 0 CDAERP O=C1CC2(CCC2)N(Cc2ccc3c(c2)C[NH2+]CC3)CCN1 ZINC000872157619 684692138 /nfs/dbraw/zinc/69/21/38/684692138.db2.gz NYBTZLARDURWBC-UHFFFAOYSA-N 2 0 299.418 1.577 10 0 CDAERP C[C@H](CCCO)[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925547203 684713814 /nfs/dbraw/zinc/71/38/14/684713814.db2.gz ADQYIFOWPDEFQF-YUELXQCFSA-N 2 0 254.418 1.905 10 0 CDAERP C[NH+](C)CCCC1CC[NH+](C[C@H](O)C2(O)CCCC2)CC1 ZINC000930146603 684780967 /nfs/dbraw/zinc/78/09/67/684780967.db2.gz VGUYOWBNMSAVDE-INIZCTEOSA-N 2 0 298.471 1.706 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000925802941 684814362 /nfs/dbraw/zinc/81/43/62/684814362.db2.gz KIRFVPMFCFBSNO-IBEHDNSVSA-N 2 0 265.445 1.694 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@@H]1CCCOC1 ZINC000925721997 684832397 /nfs/dbraw/zinc/83/23/97/684832397.db2.gz SBSMMRMSQAZKGG-XDYZINJXSA-N 2 0 252.402 1.909 10 0 CDAERP c1c[nH]c(N2CC[NH+](C[C@@H]3C[C@@H]4CCC[C@@H]4O3)CC2)n1 ZINC000878517954 684832473 /nfs/dbraw/zinc/83/24/73/684832473.db2.gz QRUQVQSRNDOIDK-IHRRRGAJSA-N 2 0 276.384 1.489 10 0 CDAERP [NH3+][C@H](CC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)C1CC1 ZINC000825547358 684849458 /nfs/dbraw/zinc/84/94/58/684849458.db2.gz KWUIEPRJBNQQJY-MGPQQGTHSA-N 2 0 265.401 1.104 10 0 CDAERP Nc1cc[nH+]c(CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000925766738 684852029 /nfs/dbraw/zinc/85/20/29/684852029.db2.gz LRINBCYEFHFLQU-HUUCEWRRSA-N 2 0 254.337 1.898 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000926824399 684862672 /nfs/dbraw/zinc/86/26/72/684862672.db2.gz JZQPHSIKDDRBRA-RQPDNDTESA-N 2 0 264.413 1.874 10 0 CDAERP CC(C)[N@@H+]1CCCN(C(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852894129 684882349 /nfs/dbraw/zinc/88/23/49/684882349.db2.gz OHGOYPHSDQLLGJ-UHFFFAOYSA-N 2 0 265.401 1.239 10 0 CDAERP CC[C@@H](NC[C@H]1C[NH2+]CCC1(F)F)[C@@H]1CCC[NH2+]1 ZINC000925776138 684908558 /nfs/dbraw/zinc/90/85/58/684908558.db2.gz JFOCQFRQMZTWDI-UTUOFQBUSA-N 2 0 261.360 1.351 10 0 CDAERP C(C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)O[C@H]1CCOC1 ZINC000923359829 684938926 /nfs/dbraw/zinc/93/89/26/684938926.db2.gz VSQYRELNRCOKNV-OAGGEKHMSA-N 2 0 282.428 1.504 10 0 CDAERP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000872293565 685000619 /nfs/dbraw/zinc/00/06/19/685000619.db2.gz ZLGQTACJJWBEMO-HBNTYKKESA-N 2 0 275.343 1.007 10 0 CDAERP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cnn(-c3ccccc3)n2)C1 ZINC000841084997 685022536 /nfs/dbraw/zinc/02/25/36/685022536.db2.gz RSNKJHPJJKCZEI-CHWSQXEVSA-N 2 0 271.368 1.484 10 0 CDAERP CO[C@@H]1CN(C[C@H]2CCC3(CCC3)O2)[C@@](C)(C[NH3+])C1 ZINC000712490846 685024052 /nfs/dbraw/zinc/02/40/52/685024052.db2.gz ZUXFKSKVMDUEQR-HZSPNIEDSA-N 2 0 268.401 1.526 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](CCOC2CCOCC2)C1 ZINC000866708715 685024582 /nfs/dbraw/zinc/02/45/82/685024582.db2.gz OAJLOQYJWXMKJA-MRXNPFEDSA-N 2 0 284.444 1.879 10 0 CDAERP CCC[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC(=O)NC ZINC000923310438 685043121 /nfs/dbraw/zinc/04/31/21/685043121.db2.gz VMOARYHAIYHBRT-AGUYFDCRSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC[C@H]1CC(=O)N(C)C1 ZINC000723551995 685094094 /nfs/dbraw/zinc/09/40/94/685094094.db2.gz KFNWJARNPUFYFT-QLFBSQMISA-N 2 0 281.444 1.755 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccnc(-n2cncn2)c1 ZINC000925725922 685097504 /nfs/dbraw/zinc/09/75/04/685097504.db2.gz NZQMUOHQJBAJEV-KKNUOHPOSA-N 2 0 298.394 1.268 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925797512 685098018 /nfs/dbraw/zinc/09/80/18/685098018.db2.gz UGBUOZXLMISWFJ-AAVRWANBSA-N 3 0 253.434 1.728 10 0 CDAERP COC(=O)C[C@H]1CCC[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923372683 685140404 /nfs/dbraw/zinc/14/04/04/685140404.db2.gz IJXWTIHTELLVHE-JALIKCBVSA-N 2 0 280.412 1.935 10 0 CDAERP C([C@@H]1CCC2(CCC2)O1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000712499029 685182044 /nfs/dbraw/zinc/18/20/44/685182044.db2.gz UNRYUDRLZRTFAL-GJZGRUSLSA-N 2 0 279.428 1.068 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870925116 685183876 /nfs/dbraw/zinc/18/38/76/685183876.db2.gz GDEATOSHLCATLT-HLIUYOAVSA-N 2 0 281.444 1.755 10 0 CDAERP COC[C@@H](C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1)C(C)C ZINC000931067875 685224924 /nfs/dbraw/zinc/22/49/24/685224924.db2.gz UCDOAIWBQBHNTO-ZBFHGGJFSA-N 2 0 284.444 1.436 10 0 CDAERP C[C@@H](NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000923480102 685236247 /nfs/dbraw/zinc/23/62/47/685236247.db2.gz VIYBBPQKRGMJEA-RBSFLKMASA-N 2 0 289.423 1.923 10 0 CDAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CC[C@@H]1CCC[NH2+]C1)CC2 ZINC000923450155 685756398 /nfs/dbraw/zinc/75/63/98/685756398.db2.gz FRMCHNHESMRKAP-GJZGRUSLSA-N 3 0 281.444 1.206 10 0 CDAERP CCC(CC)[C@@H](CNC(=[NH2+])N1CCO[C@H](C)C1)[NH+](C)C ZINC000848984294 685783071 /nfs/dbraw/zinc/78/30/71/685783071.db2.gz ILSSXOHXRYGSCA-TZMCWYRMSA-N 2 0 284.448 1.598 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000713031691 685783886 /nfs/dbraw/zinc/78/38/86/685783886.db2.gz YXMXVRXQWHDNOU-OLZOCXBDSA-N 2 0 267.417 1.303 10 0 CDAERP FCCn1cc(CNC[C@H]2CC[N@@H+](C3CC3)C2)cn1 ZINC000921528807 685804858 /nfs/dbraw/zinc/80/48/58/685804858.db2.gz UZPLEEOPKAYXHJ-GFCCVEGCSA-N 2 0 266.364 1.427 10 0 CDAERP [NH3+]CC[C@@H]1CC[N@H+](C[C@H]2CC[C@H](C(F)(F)F)O2)C1 ZINC000721503852 685814576 /nfs/dbraw/zinc/81/45/76/685814576.db2.gz FOMBBJNBIDOBJZ-GMTAPVOTSA-N 2 0 266.307 1.767 10 0 CDAERP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H](CO)Cc1ccc(F)cc1)[NH2+]2 ZINC000925651282 685853323 /nfs/dbraw/zinc/85/33/23/685853323.db2.gz ZRXHWHGIRZHIAV-RDZAWVCESA-N 2 0 292.398 1.848 10 0 CDAERP COC(=O)C[C@@H]1CC[C@@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)[C@H]1C ZINC000925784326 685853925 /nfs/dbraw/zinc/85/39/25/685853925.db2.gz MFWZZFPZKFDNHX-KSSYENDESA-N 2 0 254.374 1.162 10 0 CDAERP C[NH+]1CCN(CCC[NH2+][C@@H]2CC3CCC2CC3)CC1 ZINC000381944244 685860129 /nfs/dbraw/zinc/86/01/29/685860129.db2.gz BLTNVHBYMWVQHF-UYSNPLJNSA-N 2 0 265.445 1.792 10 0 CDAERP CCc1nn(C)c(Cl)c1C[NH2+]CCOCCC[NH3+] ZINC000863485897 685862073 /nfs/dbraw/zinc/86/20/73/685862073.db2.gz BONBTWJXQWNVCE-UHFFFAOYSA-N 2 0 274.796 1.091 10 0 CDAERP C[C@@]12CN(C(=O)CC[NH3+])C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702108931 685863888 /nfs/dbraw/zinc/86/38/88/685863888.db2.gz FCMIGZWVJWVGBR-DOTOQJQBSA-N 2 0 287.407 1.316 10 0 CDAERP CCO[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@H]1OC ZINC000252786314 685871858 /nfs/dbraw/zinc/87/18/58/685871858.db2.gz POQPPGOJKWTBFO-ZNQYZFQRSA-N 2 0 282.428 1.784 10 0 CDAERP CCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705451 685878436 /nfs/dbraw/zinc/87/84/36/685878436.db2.gz ZZECJQSCJUBEST-CZUORRHYSA-N 2 0 283.460 1.988 10 0 CDAERP C[C@@H]1C[N@H+](C[C@@H]2CC3(CCC3)CO2)CC[C@@H]1C[NH3+] ZINC000923490665 685885499 /nfs/dbraw/zinc/88/54/99/685885499.db2.gz OQDOPDRJLKHTMO-MCIONIFRSA-N 2 0 252.402 1.862 10 0 CDAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@H]3CCC4(CCC4)O3)C[C@H]12 ZINC000712451353 685921611 /nfs/dbraw/zinc/92/16/11/685921611.db2.gz JWIMEYIEQSJWGD-YIYPIFLZSA-N 2 0 250.386 1.757 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000710837251 685966231 /nfs/dbraw/zinc/96/62/31/685966231.db2.gz FESDVLPDBHGDGK-AVGNSLFASA-N 2 0 253.390 1.104 10 0 CDAERP C[C@H](NC[C@@H]1C[NH2+]CCC1(F)F)[C@H]1CCCC[NH2+]1 ZINC000925774531 685966843 /nfs/dbraw/zinc/96/68/43/685966843.db2.gz AYDPWEUKKYKZHP-SDDRHHMPSA-N 2 0 261.360 1.351 10 0 CDAERP CCO[C@@H]1C[N@H+](C[C@H]2CC[C@H](C3CC3)O2)C[C@H]1C[NH3+] ZINC000715397964 685967053 /nfs/dbraw/zinc/96/70/53/685967053.db2.gz XXVPIKOUQZVOTP-KBUPBQIOSA-N 2 0 268.401 1.240 10 0 CDAERP O[C@@H](CC1CCCC1)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000310962830 685977233 /nfs/dbraw/zinc/97/72/33/685977233.db2.gz DZZGGNZWBMJBRV-GJZGRUSLSA-N 2 0 252.402 1.613 10 0 CDAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CC(C(N)=O)C1 ZINC000716747286 685978525 /nfs/dbraw/zinc/97/85/25/685978525.db2.gz XGXSOROSDRPTPI-IGJPJIBNSA-N 2 0 253.390 1.151 10 0 CDAERP [NH3+]C[C@H]1C[N@H+](CCC2CC[NH2+]CC2)C[C@H]1C(F)(F)F ZINC000872150391 685982509 /nfs/dbraw/zinc/98/25/09/685982509.db2.gz DYUNSPLLXYIONE-NWDGAFQWSA-N 3 0 279.350 1.445 10 0 CDAERP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCCc3cn[nH]c32)CC1 ZINC000857847641 685990250 /nfs/dbraw/zinc/99/02/50/685990250.db2.gz TYNACGBJWUXSIQ-CQSZACIVSA-N 2 0 291.443 1.403 10 0 CDAERP C[C@H](CC[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)[NH+](C)C ZINC000922254364 686006788 /nfs/dbraw/zinc/00/67/88/686006788.db2.gz JFWDWONDBYOCPY-YXJLRHLOSA-N 2 0 252.402 1.730 10 0 CDAERP NC(=O)c1ccc(CC[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000866665866 686052212 /nfs/dbraw/zinc/05/22/12/686052212.db2.gz JFARCQCJDRXDNI-UHFFFAOYSA-N 2 0 287.407 1.404 10 0 CDAERP C[C@@H](O)c1ncc(C[NH2+]CCCC[NH+]2CCOCC2)s1 ZINC000809606267 686069476 /nfs/dbraw/zinc/06/94/76/686069476.db2.gz OITCKKQLNGGNOA-GFCCVEGCSA-N 2 0 299.440 1.398 10 0 CDAERP C[C@@H]1C[C@H]1NC(=[NH2+])NCCC[N@@H+]1CCCC[C@H]1C ZINC000864450132 686071200 /nfs/dbraw/zinc/07/12/00/686071200.db2.gz FXRJFJKSUOFLHB-JHJVBQTASA-N 2 0 252.406 1.773 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+][C@@H]1CO[C@H](C)[C@H]1C ZINC000926149555 686132622 /nfs/dbraw/zinc/13/26/22/686132622.db2.gz CQGGILBSGIIMMC-MGPQQGTHSA-N 2 0 258.406 1.358 10 0 CDAERP O[C@H](CC1CCCC1)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000381314649 686137932 /nfs/dbraw/zinc/13/79/32/686137932.db2.gz DQBKLULTNZGMJC-KFWWJZLASA-N 2 0 252.402 1.611 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925552762 686139740 /nfs/dbraw/zinc/13/97/40/686139740.db2.gz YZKUHGIOUVZLOK-HZSPNIEDSA-N 2 0 251.418 1.720 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCCCCCCC[NH+](C)C ZINC000841742693 686149395 /nfs/dbraw/zinc/14/93/95/686149395.db2.gz ZZINHBGRCFERPF-HUUCEWRRSA-N 2 0 298.475 1.796 10 0 CDAERP CC1(C)C[C@@H](O)C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000866703939 686252015 /nfs/dbraw/zinc/25/20/15/686252015.db2.gz QKBQFGVQLZOXGY-PMPSAXMXSA-N 2 0 292.423 1.010 10 0 CDAERP c1ccc([C@@H]2C[NH2+]CCN2CCC[NH2+]C2CC2)cc1 ZINC000923375092 686271168 /nfs/dbraw/zinc/27/11/68/686271168.db2.gz GXFLNVBEZMILHH-INIZCTEOSA-N 2 0 259.397 1.775 10 0 CDAERP C[NH+](C)CCN(C(=O)CCC12CC(C1)C[NH2+]2)C1CC1 ZINC000870930384 686304643 /nfs/dbraw/zinc/30/46/43/686304643.db2.gz PBUBGKCFGXPEHA-UHFFFAOYSA-N 2 0 265.401 1.071 10 0 CDAERP CC(C)OC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000706032553 686328263 /nfs/dbraw/zinc/32/82/63/686328263.db2.gz OISSDHURSRCBBJ-CHWSQXEVSA-N 2 0 271.405 1.203 10 0 CDAERP CC(C)C[C@@H](CNC(=[NH2+])N1CCO[C@@H](C)C1)[NH+](C)C ZINC000848983833 686343667 /nfs/dbraw/zinc/34/36/67/686343667.db2.gz GJCXKTZZZLQQDT-STQMWFEESA-N 2 0 270.421 1.208 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000870994763 686343837 /nfs/dbraw/zinc/34/38/37/686343837.db2.gz UYSNATMPRPMZMD-DOMZBBRYSA-N 2 0 267.417 1.337 10 0 CDAERP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cnc(Cl)n1C ZINC000848547157 686371619 /nfs/dbraw/zinc/37/16/19/686371619.db2.gz KYUFBFSTHOQDRE-LBPRGKRZSA-N 2 0 299.850 1.189 10 0 CDAERP C[NH+](C)CCCCNC(=[NH2+])NCCc1cccs1 ZINC000848989768 686399745 /nfs/dbraw/zinc/39/97/45/686399745.db2.gz ACZRHCUDWVQPLT-UHFFFAOYSA-N 2 0 268.430 1.746 10 0 CDAERP C[C@@H]([NH2+]CCOCCC[NH3+])c1cccnc1Cl ZINC000863546296 686424504 /nfs/dbraw/zinc/42/45/04/686424504.db2.gz LCYUTGNOKFMKSW-SNVBAGLBSA-N 2 0 257.765 1.751 10 0 CDAERP C[C@H]1C[C@H]1C(N)=NOCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000848521931 686443838 /nfs/dbraw/zinc/44/38/38/686443838.db2.gz UWNZEPLHCNKWTA-NNYUYHANSA-N 2 0 253.346 1.004 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCNc1ncccn1 ZINC000925231580 686495078 /nfs/dbraw/zinc/49/50/78/686495078.db2.gz CKQGIGISTJSWSR-PBWFPOADSA-N 2 0 275.400 1.208 10 0 CDAERP CN(CC[NH2+]CCF)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001266741258 1158797179 /nfs/dbraw/zinc/79/71/79/1158797179.db2.gz ORFBLUZOHVDEHC-OLZOCXBDSA-N 2 0 271.380 1.021 10 0 CDAERP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CCC[NH2+]C3CC3)CC2)C1 ZINC000923378634 686783895 /nfs/dbraw/zinc/78/38/95/686783895.db2.gz KMLWEXOTQITBDM-HOCLYGCPSA-N 3 0 281.444 1.347 10 0 CDAERP CC(C)NC(=O)CC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925597342 686785534 /nfs/dbraw/zinc/78/55/34/686785534.db2.gz YLKISKGJATURCJ-NEPJUHHUSA-N 2 0 255.406 1.397 10 0 CDAERP CN(CCC[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)CC[NH+](C)C ZINC000922273288 686815647 /nfs/dbraw/zinc/81/56/47/686815647.db2.gz DFIJQHVZSDYDCR-IXDOHACOSA-N 2 0 297.487 1.665 10 0 CDAERP CC[C@@H](C)[C@H](C)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870021555 686832011 /nfs/dbraw/zinc/83/20/11/686832011.db2.gz HJNACDPGYZQOSA-QKPAOTATSA-N 2 0 297.487 1.866 10 0 CDAERP Cn1c2cc(C[N@@H+]3CC[C@H](CC[NH3+])C3)ccc2oc1=O ZINC000923478709 686860010 /nfs/dbraw/zinc/86/00/10/686860010.db2.gz HKXZEOCLZDQSAM-NSHDSACASA-N 2 0 275.352 1.302 10 0 CDAERP [NH3+]C[C@@H]1CN(Cc2cccnc2)C[C@H]1C(F)(F)F ZINC000709797502 686867754 /nfs/dbraw/zinc/86/77/54/686867754.db2.gz BQWDFJMWOHXCFB-GHMZBOCLSA-N 2 0 259.275 1.651 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@@H](O)c2ccc(F)c(F)c2)C1 ZINC000848676941 686897179 /nfs/dbraw/zinc/89/71/79/686897179.db2.gz WYROTNGKOGQSTB-IFUGULHKSA-N 2 0 284.350 1.928 10 0 CDAERP C[C@H]1[C@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[N@@H+]1C ZINC000928439358 686934943 /nfs/dbraw/zinc/93/49/43/686934943.db2.gz NTWYWFAFBDOTBR-DZGCQCFKSA-N 2 0 281.444 1.850 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@]2(C(F)(F)F)CCCN2)C1 ZINC000925852839 686937406 /nfs/dbraw/zinc/93/74/06/686937406.db2.gz HSMKNPXOLMGKTK-MXWKQRLJSA-N 2 0 265.323 1.530 10 0 CDAERP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923326848 686994487 /nfs/dbraw/zinc/99/44/87/686994487.db2.gz NVZPHLLKCSPCAQ-HZPDHXFCSA-N 3 0 293.455 1.029 10 0 CDAERP C[NH+](C)CCOCC[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000721572990 687043919 /nfs/dbraw/zinc/04/39/19/687043919.db2.gz VLMKPSJRLYTACW-UONOGXRCSA-N 2 0 272.433 1.748 10 0 CDAERP COCC[N@H+](C)CCCC1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000838909959 687049205 /nfs/dbraw/zinc/04/92/05/687049205.db2.gz XKAGURXMOSSZTK-QGZVFWFLSA-N 2 0 298.471 1.828 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000925808122 687052688 /nfs/dbraw/zinc/05/26/88/687052688.db2.gz YBXNBJLYVKQQFP-XKNYDFJKSA-N 2 0 254.296 1.812 10 0 CDAERP CC1(C)C[C@@H]([NH2+][C@H]2CCN(C3CCC3)C2=O)C[C@@H]([NH3+])C1 ZINC000925724992 687068821 /nfs/dbraw/zinc/06/88/21/687068821.db2.gz PCTCQIWGSATNNQ-DYEKYZERSA-N 2 0 279.428 1.635 10 0 CDAERP C[C@@H]1C[C@H]1NC(=[NH2+])NCc1ccnc(OCC[NH+](C)C)c1 ZINC000864463256 687072559 /nfs/dbraw/zinc/07/25/59/687072559.db2.gz UBFNVAMRIYGRRO-DGCLKSJQSA-N 2 0 291.399 1.044 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+][C@H]2CCOC[C@@H]2C(C)C)CC1 ZINC000924662320 687093619 /nfs/dbraw/zinc/09/36/19/687093619.db2.gz QOFXHBRSWAEYQZ-SJORKVTESA-N 2 0 297.487 1.665 10 0 CDAERP CC[NH+](CC)CCN(CC(C)C)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091546768 687116020 /nfs/dbraw/zinc/11/60/20/687116020.db2.gz JBCNZJPOKVJVLJ-CABCVRRESA-N 2 0 283.460 1.940 10 0 CDAERP C([C@@H]1C[C@@H]2COC[C@H]2O1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000929718922 687117134 /nfs/dbraw/zinc/11/71/34/687117134.db2.gz KJYDDPZJKBMRBL-VVLHAWIVSA-N 2 0 294.439 1.598 10 0 CDAERP C[C@H]1C[C@H](C[N@@H+]2CCN(C)c3ncccc3C2)CC[NH2+]1 ZINC000872257302 687120574 /nfs/dbraw/zinc/12/05/74/687120574.db2.gz DTERZQXIUNHKAN-UONOGXRCSA-N 2 0 274.412 1.722 10 0 CDAERP C[NH2+]C[C@](C)(O)CN1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000872146625 687135958 /nfs/dbraw/zinc/13/59/58/687135958.db2.gz SWJOURZUSUVBEY-BBRMVZONSA-N 2 0 294.443 1.683 10 0 CDAERP Cc1nccn1CCC[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000713146816 687138080 /nfs/dbraw/zinc/13/80/80/687138080.db2.gz BTDVRSWBCHPJGT-UHFFFAOYSA-N 2 0 262.401 1.800 10 0 CDAERP Cc1cccc(NC(=[NH2+])NC[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC000849008055 687146796 /nfs/dbraw/zinc/14/67/96/687146796.db2.gz MTCZKJFEHCWRCP-CQSZACIVSA-N 2 0 275.400 1.177 10 0 CDAERP C(C1CC1)[NH+]1CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000700311792 687147561 /nfs/dbraw/zinc/14/75/61/687147561.db2.gz WEKZKNONRQHLSA-OAHLLOKOSA-N 2 0 251.418 1.404 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)c1cnn(-c2ccccc2)c1 ZINC000863543757 687152377 /nfs/dbraw/zinc/15/23/77/687152377.db2.gz XMIFWTWFDLDJNY-CQSZACIVSA-N 2 0 288.395 1.759 10 0 CDAERP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@H]1CC[C@@H](C3CC3)O1)C2 ZINC000715395070 687176812 /nfs/dbraw/zinc/17/68/12/687176812.db2.gz PPZKFNYOZILROW-LJISPDSOSA-N 2 0 250.386 1.485 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H]1CCC2(CCOCC2)CO1 ZINC000925736682 687232651 /nfs/dbraw/zinc/23/26/51/687232651.db2.gz NJAXKTBEDLYNPZ-BFHYXJOUSA-N 2 0 270.417 1.678 10 0 CDAERP Cc1nocc1C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923445716 687235374 /nfs/dbraw/zinc/23/53/74/687235374.db2.gz YNMKOQCBDCYDEO-CYBMUJFWSA-N 2 0 265.357 1.313 10 0 CDAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H]3C[C@H]32)CC1 ZINC000800366368 687248748 /nfs/dbraw/zinc/24/87/48/687248748.db2.gz AJGOFHUWUKHMNH-LSDHHAIUSA-N 2 0 251.418 1.497 10 0 CDAERP C[C@](O)(C[N@@H+]1CCc2nccc(N)c2C1)c1ccccc1 ZINC000931510702 687249840 /nfs/dbraw/zinc/24/98/40/687249840.db2.gz GVFCBTOBWBAHPC-KRWDZBQOSA-N 2 0 283.375 1.930 10 0 CDAERP C[C@H]1[C@H](NC(=O)N(C)[C@H]2CC[NH+](C)C[C@H]2C)CC[N@@H+]1C ZINC000925328843 687253079 /nfs/dbraw/zinc/25/30/79/687253079.db2.gz IJASYYKGSDWXPX-RQJABVFESA-N 2 0 282.432 1.061 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)C[C@@H]1CCC2(CCC2)O1 ZINC000712513239 687253156 /nfs/dbraw/zinc/25/31/56/687253156.db2.gz WVXRFHSMLJGUQH-ZDUSSCGKSA-N 2 0 256.390 1.256 10 0 CDAERP C(C[NH+]1CCCCC1)N[C@H]1CC[NH2+]C12CCCC2 ZINC000925533139 687302479 /nfs/dbraw/zinc/30/24/79/687302479.db2.gz JTRUPNZTNLAQNB-AWEZNQCLSA-N 2 0 251.418 1.737 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCSC(F)(F)F ZINC000231939355 687310268 /nfs/dbraw/zinc/31/02/68/687310268.db2.gz JXVQFJJRWKFFAV-QMMMGPOBSA-N 2 0 260.325 1.583 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(C(=O)C(C)(C)[C@@H]([NH3+])C(C)C)C1 ZINC000713009441 687343214 /nfs/dbraw/zinc/34/32/14/687343214.db2.gz POFUDJWWLAURGA-KBPBESRZSA-N 2 0 283.460 1.939 10 0 CDAERP C[C@@H]([NH2+]CCOC(F)(F)C(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000720249688 687384336 /nfs/dbraw/zinc/38/43/36/687384336.db2.gz MUJDMRDDMUXURL-HTQZYQBOSA-N 2 0 276.249 1.746 10 0 CDAERP C[C@H](CNC(=[NH2+])N[C@H]1C[C@H]1C)[N@@H+]1CCCC[C@H]1C ZINC000864453296 687384553 /nfs/dbraw/zinc/38/45/53/687384553.db2.gz MGJVZOIANMHHOU-LPWJVIDDSA-N 2 0 252.406 1.772 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1-n1ccnn1 ZINC000925784587 687399589 /nfs/dbraw/zinc/39/95/89/687399589.db2.gz JFOXVGZGLBDKAL-RDBSUJKOSA-N 2 0 285.395 1.773 10 0 CDAERP C[C@H]1C[N@H+](CC(=O)N(C)CC2CCCCC2)CC[C@@H]1C[NH3+] ZINC000923502242 687448953 /nfs/dbraw/zinc/44/89/53/687448953.db2.gz YHBDGSBDNIJEHK-GOEBONIOSA-N 2 0 295.471 1.942 10 0 CDAERP Cc1cc([C@H]([NH3+])CC(=O)N[C@H](C)C[C@H](C)[NH3+])cc(Cl)n1 ZINC000843506896 687495990 /nfs/dbraw/zinc/49/59/90/687495990.db2.gz KMYGAYQGNDXKKE-YGOYTEALSA-N 2 0 298.818 1.675 10 0 CDAERP CC(C)C[C@@H]([NH3+])CN1CCC([C@H](O)c2nccn2C)CC1 ZINC000841008945 687548911 /nfs/dbraw/zinc/54/89/11/687548911.db2.gz GDXFQSZXKMVMEA-CABCVRRESA-N 2 0 294.443 1.539 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000723645747 687553051 /nfs/dbraw/zinc/55/30/51/687553051.db2.gz INTZCAQVESTCFR-QMIVOQANSA-N 2 0 252.402 1.779 10 0 CDAERP C[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)[C@@H]1CCCOC1 ZINC000925844409 687586647 /nfs/dbraw/zinc/58/66/47/687586647.db2.gz LDMBWGQGFKRVAA-HZPDHXFCSA-N 2 0 283.460 1.467 10 0 CDAERP Cc1nc(C(C)C)ccc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000923461420 687643621 /nfs/dbraw/zinc/64/36/21/687643621.db2.gz WYGCFMHROWYIKU-UHFFFAOYSA-N 2 0 276.428 1.508 10 0 CDAERP C[N@@H+]1CC[C@@H]2CN(C(=O)CCCCCC[NH3+])CC[C@H]21 ZINC000870981437 687663814 /nfs/dbraw/zinc/66/38/14/687663814.db2.gz IPVXTUNLEIYBEV-ZIAGYGMSSA-N 2 0 267.417 1.448 10 0 CDAERP CCCCOC[C@H](O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000227910623 687673658 /nfs/dbraw/zinc/67/36/58/687673658.db2.gz MDJOONQSQFANEG-UONOGXRCSA-N 2 0 258.406 1.225 10 0 CDAERP [NH3+][C@@H]1C[C@H](NC2CC[NH+](CC3CC3)CC2)C12CCC2 ZINC000925475506 687685099 /nfs/dbraw/zinc/68/50/99/687685099.db2.gz URXCSJIBSNAHKE-CABCVRRESA-N 2 0 263.429 1.720 10 0 CDAERP COC(=O)[C@@H](C)C[N@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923368781 687741286 /nfs/dbraw/zinc/74/12/86/687741286.db2.gz BTNGKTJSNJBJHA-FUDCBSFHSA-N 2 0 268.401 1.648 10 0 CDAERP [NH3+][C@H]1C[C@H](CNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000870972369 687742924 /nfs/dbraw/zinc/74/29/24/687742924.db2.gz ZCLDVOLYUXNBDI-ZDEQEGDKSA-N 2 0 253.390 1.138 10 0 CDAERP CO[C@H]1C[C@@H](C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)C1 ZINC000872144717 687774110 /nfs/dbraw/zinc/77/41/10/687774110.db2.gz FYDBWQWQXYPRJS-HRCADAONSA-N 2 0 282.428 1.502 10 0 CDAERP C[C@H]1C[C@@H](C[N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)CCO1 ZINC000931439594 687843508 /nfs/dbraw/zinc/84/35/08/687843508.db2.gz WAJMRDUPXZWKTP-ZQDZILKHSA-N 2 0 252.402 1.685 10 0 CDAERP CCn1ccnc1CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000849036615 687857179 /nfs/dbraw/zinc/85/71/79/687857179.db2.gz WPUIQKDNCPOUKC-GFCCVEGCSA-N 2 0 278.404 1.001 10 0 CDAERP COCC[N@H+](C)CCC[NH2+]C1[C@@H](C)COC[C@@H]1C ZINC000924656472 687877964 /nfs/dbraw/zinc/87/79/64/687877964.db2.gz RAHIWDQCDKRXKN-STQMWFEESA-N 2 0 258.406 1.215 10 0 CDAERP CCN1C[C@H]([NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1=O ZINC000925683216 687884461 /nfs/dbraw/zinc/88/44/61/687884461.db2.gz MQIWXTRNOCCZNZ-QJPTWQEYSA-N 2 0 253.390 1.103 10 0 CDAERP CC(C)OC[C@@H](O)C[N@H+](C)C1(C[NH3+])CCCCC1 ZINC000713320021 687897089 /nfs/dbraw/zinc/89/70/89/687897089.db2.gz ULLFBBWOQGBLGA-ZDUSSCGKSA-N 2 0 258.406 1.366 10 0 CDAERP C[NH+](C)C1(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CCC1 ZINC000811329302 687927972 /nfs/dbraw/zinc/92/79/72/687927972.db2.gz OPWVRSQXOZTWDY-MRXNPFEDSA-N 2 0 299.434 1.799 10 0 CDAERP CC(C)(O)C[C@@H](O)C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000872203055 688035215 /nfs/dbraw/zinc/03/52/15/688035215.db2.gz TZCYARPAJXTMGS-OAHLLOKOSA-N 2 0 284.444 1.505 10 0 CDAERP c1cncc([C@H]2C[NH2+]CCN2CCC[NH2+]C2CC2)c1 ZINC000923349177 688054950 /nfs/dbraw/zinc/05/49/50/688054950.db2.gz POZOOVYEYFBZNX-OAHLLOKOSA-N 2 0 260.385 1.170 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1c(C)cccc1F ZINC000817898005 688122302 /nfs/dbraw/zinc/12/23/02/688122302.db2.gz YMPNCQBHKQJVHL-LBPRGKRZSA-N 2 0 254.349 1.978 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NCCCC[NH+](C)C ZINC000713110519 688132380 /nfs/dbraw/zinc/13/23/80/688132380.db2.gz GENQFCAZCVVWMV-LBPRGKRZSA-N 2 0 257.422 1.454 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccnnc2)CC1 ZINC000924655533 688148493 /nfs/dbraw/zinc/14/84/93/688148493.db2.gz URDAETQDWDJVSC-AWEZNQCLSA-N 2 0 277.416 1.155 10 0 CDAERP CN(C(=O)CCCCC[NH3+])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000831906211 688194968 /nfs/dbraw/zinc/19/49/68/688194968.db2.gz ZKCIUYMJWRWYPG-CYBMUJFWSA-N 2 0 253.390 1.201 10 0 CDAERP CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001268556911 1159969586 /nfs/dbraw/zinc/96/95/86/1159969586.db2.gz PSKVLBIBSPXZDO-NWRQEBOHSA-N 2 0 279.428 1.675 10 0 CDAERP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]CCC1CC1 ZINC001270593764 1160114477 /nfs/dbraw/zinc/11/44/77/1160114477.db2.gz BFGCXBZJRIBGKZ-ZDUSSCGKSA-N 2 0 267.417 1.224 10 0 CDAERP C[C@H](CC[NH2+]CCOC1CCC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001482816761 1160637012 /nfs/dbraw/zinc/63/70/12/1160637012.db2.gz JWFXTDWIRPYXOJ-HIFRSBDPSA-N 2 0 297.443 1.134 10 0 CDAERP CC(C)=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001691672581 1161552080 /nfs/dbraw/zinc/55/20/80/1161552080.db2.gz MIGWPPRNYHNAPI-ARFHVFGLSA-N 2 0 293.455 1.779 10 0 CDAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CC2(C)C)C[C@H]1C[NH+](C)C ZINC000870020087 1165133197 /nfs/dbraw/zinc/13/31/97/1165133197.db2.gz BXWDFDAWADIYMU-MGPQQGTHSA-N 2 0 281.444 1.230 10 0 CDAERP CO[C@@H](C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1)C1CCCC1 ZINC000872154212 1165387525 /nfs/dbraw/zinc/38/75/25/1165387525.db2.gz NRYVOHSQCHHNQD-SOUVJXGZSA-N 2 0 252.402 1.733 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)[C@H](C)C1 ZINC000872285831 1165411491 /nfs/dbraw/zinc/41/14/91/1165411491.db2.gz JAMHEMSXGCMLQC-SSZWKKLZSA-N 2 0 279.428 1.303 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NCC1([NH+](C)C)CCC1 ZINC001633181026 1166407322 /nfs/dbraw/zinc/40/73/22/1166407322.db2.gz XVHHXZICPDACNG-LBPRGKRZSA-N 2 0 255.406 1.175 10 0 CDAERP C[NH+](C)CCCCC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC001635640612 1166606448 /nfs/dbraw/zinc/60/64/48/1166606448.db2.gz MWSZSPNYQIAZOQ-UHFFFAOYSA-N 2 0 281.444 1.851 10 0 CDAERP CC[NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001565870329 1168192367 /nfs/dbraw/zinc/19/23/67/1168192367.db2.gz REZUMNFXXAWQEZ-JOCQHMNTSA-N 2 0 267.417 1.365 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)[C@@H]1CC[C@@H]2C[C@@H](C)C[NH+]2C1 ZINC001646941569 1168273384 /nfs/dbraw/zinc/27/33/84/1168273384.db2.gz IFMIYAHQUWNOCV-BZUAXINKSA-N 2 0 295.471 1.955 10 0 CDAERP CC[NH+](CC)CC[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001647017513 1168350379 /nfs/dbraw/zinc/35/03/79/1168350379.db2.gz XJJRULVBUNDCTA-KBPBESRZSA-N 2 0 271.449 1.809 10 0 CDAERP Cc1n[nH]c(=O)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c1C ZINC001647187415 1168434786 /nfs/dbraw/zinc/43/47/86/1168434786.db2.gz YOQBZEXHTCGDKJ-CFVMTHIKSA-N 2 0 290.411 1.761 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001567382009 1168720207 /nfs/dbraw/zinc/72/02/07/1168720207.db2.gz CXWYMEUEFJMLTK-AWEZNQCLSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001568151507 1169148804 /nfs/dbraw/zinc/14/88/04/1169148804.db2.gz AZRZIPQIWLIGEH-ZIAGYGMSSA-N 2 0 267.417 1.175 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N2CCC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC001649356686 1169235378 /nfs/dbraw/zinc/23/53/78/1169235378.db2.gz IZBZVKUABOSCFL-CYBMUJFWSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001568312052 1169239687 /nfs/dbraw/zinc/23/96/87/1169239687.db2.gz HCFVAPGDBSJZGF-AWEZNQCLSA-N 2 0 279.428 1.485 10 0 CDAERP C[C@@H](C[NH2+]CC[C@H]1CCCO1)N(C)C(=O)C[NH+]1CCCC1 ZINC001568318790 1169243924 /nfs/dbraw/zinc/24/39/24/1169243924.db2.gz GAAKBGSVEXWXPJ-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CCCCC[NH2+]CCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001569203512 1169719078 /nfs/dbraw/zinc/71/90/78/1169719078.db2.gz WHJFPNRXVYETDX-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001656170425 1171782843 /nfs/dbraw/zinc/78/28/43/1171782843.db2.gz SWLROTDGQOSHHU-KFWWJZLASA-N 2 0 281.444 1.613 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCCCCF)C1 ZINC001661399666 1172383174 /nfs/dbraw/zinc/38/31/74/1172383174.db2.gz UQARPDASUIMOMF-IHRRRGAJSA-N 2 0 285.407 1.457 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CCF)C1 ZINC001661793920 1172447305 /nfs/dbraw/zinc/44/73/05/1172447305.db2.gz UGZMYSQNCJVZFH-UONOGXRCSA-N 2 0 285.407 1.268 10 0 CDAERP CCCC[NH2+]C[C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001690429851 1175468718 /nfs/dbraw/zinc/46/87/18/1175468718.db2.gz YBESMJMBJODNMP-OAHLLOKOSA-N 2 0 283.460 1.957 10 0 CDAERP CC(C)CCC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001690682947 1175544345 /nfs/dbraw/zinc/54/43/45/1175544345.db2.gz PYVUUZYOCFMHHB-HNNXBMFYSA-N 2 0 293.455 1.709 10 0 CDAERP CC[NH2+]C[C@](C)(NC(=O)C[N@H+](C)C(C)C)C1CC1 ZINC001698652643 1175887874 /nfs/dbraw/zinc/88/78/74/1175887874.db2.gz LIEMTOYIGBLAOH-AWEZNQCLSA-N 2 0 255.406 1.221 10 0 CDAERP CC[C@H](C(=O)N(CC)CC[NH2+]Cc1cncs1)[NH+](C)C ZINC001699214511 1176144103 /nfs/dbraw/zinc/14/41/03/1176144103.db2.gz UHKSLZNUKSFDAY-CYBMUJFWSA-N 2 0 298.456 1.421 10 0 CDAERP CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001699313443 1176214761 /nfs/dbraw/zinc/21/47/61/1176214761.db2.gz CWUUSTFIYPSLSI-NMEQGOOXSA-N 2 0 265.401 1.285 10 0 CDAERP C[C@H](C[NH2+]CC1CCCC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001699355575 1176304918 /nfs/dbraw/zinc/30/49/18/1176304918.db2.gz AGVQTHLOJBTHTK-OCCSQVGLSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001699423120 1176388271 /nfs/dbraw/zinc/38/82/71/1176388271.db2.gz JBSSJYFAOHOPFM-OLZOCXBDSA-N 2 0 287.423 1.561 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CC1=CCCCC1)[NH+](C)C ZINC001699427229 1176391111 /nfs/dbraw/zinc/39/11/11/1176391111.db2.gz DDAJJJKWZWUAOL-ZFWWWQNUSA-N 2 0 281.444 1.921 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001699575872 1176479732 /nfs/dbraw/zinc/47/97/32/1176479732.db2.gz JPFQESDOBQLULN-KBPBESRZSA-N 2 0 267.417 1.364 10 0 CDAERP C[NH+](C)CCC(=O)NCC1([NH2+]CC2CCCC2)CC1 ZINC001699663319 1176557504 /nfs/dbraw/zinc/55/75/04/1176557504.db2.gz KBVWLRURDFFPRQ-UHFFFAOYSA-N 2 0 267.417 1.367 10 0 CDAERP CCCCC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001699670538 1176561929 /nfs/dbraw/zinc/56/19/29/1176561929.db2.gz WYKGPSXSJZFEJB-AWEZNQCLSA-N 2 0 281.444 1.757 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCCF)C[C@@H]1C ZINC001699742395 1176601441 /nfs/dbraw/zinc/60/14/41/1176601441.db2.gz GZYKBCDUSITZQG-KBPBESRZSA-N 2 0 287.423 1.655 10 0 CDAERP COCC[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001699759684 1176611212 /nfs/dbraw/zinc/61/12/12/1176611212.db2.gz ZSGZMVSJMFSFEM-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CC2CC2)C1 ZINC001700069103 1176737539 /nfs/dbraw/zinc/73/75/39/1176737539.db2.gz PLPFGNDXIZLLER-CVEARBPZSA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)[N@H+](CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001707481472 1178076154 /nfs/dbraw/zinc/07/61/54/1178076154.db2.gz FUBKGVULGNFVJX-MRXNPFEDSA-N 2 0 293.455 1.707 10 0 CDAERP CC[N@H+](C)CCCNC(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC001712948065 1178258365 /nfs/dbraw/zinc/25/83/65/1178258365.db2.gz HTVUEGMQABVRMT-CQSZACIVSA-N 2 0 293.415 1.248 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001713441696 1178560785 /nfs/dbraw/zinc/56/07/85/1178560785.db2.gz VAXRVZQYCVLKIS-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP CCOCC[N@@H+]1CCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001713509105 1178616791 /nfs/dbraw/zinc/61/67/91/1178616791.db2.gz XELCTTSBDZAWBI-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001713535871 1178631266 /nfs/dbraw/zinc/63/12/66/1178631266.db2.gz LBQFGAXNKMXDKY-ZIAGYGMSSA-N 2 0 269.433 1.422 10 0 CDAERP CCCC[NH2+]CCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001713665944 1178701961 /nfs/dbraw/zinc/70/19/61/1178701961.db2.gz AHNKERJZQHMQOC-OKILXGFUSA-N 2 0 269.433 1.707 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001714022006 1178931594 /nfs/dbraw/zinc/93/15/94/1178931594.db2.gz ZUJLFHWNMXIBSS-NMWPEEMBSA-N 2 0 281.444 1.896 10 0 CDAERP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CCF ZINC001714391826 1179120613 /nfs/dbraw/zinc/12/06/13/1179120613.db2.gz WQNKRWMJUSXAEH-OLZOCXBDSA-N 2 0 273.396 1.171 10 0 CDAERP CCC[NH2+]CCC1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001715177095 1179569694 /nfs/dbraw/zinc/56/96/94/1179569694.db2.gz WGAVBFXWSWSBGL-UHFFFAOYSA-N 2 0 283.460 1.957 10 0 CDAERP CCCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001715325980 1179624795 /nfs/dbraw/zinc/62/47/95/1179624795.db2.gz DLENDDZAOCZMQA-DZGCQCFKSA-N 2 0 281.444 1.565 10 0 CDAERP CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001715932297 1179926476 /nfs/dbraw/zinc/92/64/76/1179926476.db2.gz KBNNGYPTTAWGCW-CHWSQXEVSA-N 2 0 255.406 1.365 10 0 CDAERP CC(C)=CC[N@@H+](C)CCN(C)C(=O)CC[NH+](C)C ZINC001715940117 1179930070 /nfs/dbraw/zinc/93/00/70/1179930070.db2.gz HNVWQDIYOZIXCJ-UHFFFAOYSA-N 2 0 255.406 1.295 10 0 CDAERP C[C@@H](C[NH2+]CCC1CCCC1)NC(=O)C[NH+]1CCCC1 ZINC001716009366 1179981198 /nfs/dbraw/zinc/98/11/98/1179981198.db2.gz NMWGAXAGWXYKRJ-AWEZNQCLSA-N 2 0 281.444 1.757 10 0 CDAERP C[C@H](CC[NH2+]CC1CC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001716153514 1180074154 /nfs/dbraw/zinc/07/41/54/1180074154.db2.gz MACFNKXTEKGAQR-CYBMUJFWSA-N 2 0 279.428 1.509 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001716394852 1180183251 /nfs/dbraw/zinc/18/32/51/1180183251.db2.gz GLMHZGNMROHRPA-HIFRSBDPSA-N 2 0 279.428 1.389 10 0 CDAERP C[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]C/C=C/Cl)CC1 ZINC001716783143 1180413998 /nfs/dbraw/zinc/41/39/98/1180413998.db2.gz CCHUURKZYVKPEZ-RRFAQUSLSA-N 2 0 299.846 1.661 10 0 CDAERP CC(C)=CC[NH+]1CCC(C)(NC(=O)CC[NH+](C)C)CC1 ZINC001716797325 1180418856 /nfs/dbraw/zinc/41/88/56/1180418856.db2.gz UDTCUVWYMQECEI-UHFFFAOYSA-N 2 0 281.444 1.875 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]CCCF)C1 ZINC001717145763 1180546338 /nfs/dbraw/zinc/54/63/38/1180546338.db2.gz COACAJFZWSROCB-UONOGXRCSA-N 2 0 285.407 1.268 10 0 CDAERP CCC[NH2+]CCCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001723103172 1181518295 /nfs/dbraw/zinc/51/82/95/1181518295.db2.gz ODCJIUVWXHUVDE-UHFFFAOYSA-N 2 0 255.406 1.176 10 0 CDAERP CCCCC[N@@H+]1CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001723484590 1181576235 /nfs/dbraw/zinc/57/62/35/1181576235.db2.gz XZKCBTRTJQQVMB-AWEZNQCLSA-N 2 0 267.417 1.463 10 0 CDAERP CC(C)[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001724269241 1181659742 /nfs/dbraw/zinc/65/97/42/1181659742.db2.gz URTUBYPSMIDKLY-UKRRQHHQSA-N 2 0 267.417 1.175 10 0 CDAERP CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C ZINC001724650227 1181715529 /nfs/dbraw/zinc/71/55/29/1181715529.db2.gz BBDLGFBGLVDYEV-OLZOCXBDSA-N 2 0 253.390 1.023 10 0 CDAERP CC(C)CCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001724943655 1181802266 /nfs/dbraw/zinc/80/22/66/1181802266.db2.gz KVWQQECJRTVWAD-LSDHHAIUSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CC1CCC1 ZINC001724943023 1181802404 /nfs/dbraw/zinc/80/24/04/1181802404.db2.gz KAYVKWXJUDKVDW-GXTWGEPZSA-N 2 0 267.417 1.175 10 0 CDAERP CC[C@@H](C(=O)NC[C@H](C)[N@H+](C)CC)[NH+](CC)CC ZINC001725182730 1181908602 /nfs/dbraw/zinc/90/86/02/1181908602.db2.gz WKKAJCPVCAIVMW-STQMWFEESA-N 2 0 257.422 1.563 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)C(C)C ZINC001731322442 1182316660 /nfs/dbraw/zinc/31/66/60/1182316660.db2.gz PBAVNVKAMXVBIF-CYBMUJFWSA-N 2 0 255.406 1.175 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)C(C)C ZINC001731322443 1182318723 /nfs/dbraw/zinc/31/87/23/1182318723.db2.gz PBAVNVKAMXVBIF-ZDUSSCGKSA-N 2 0 255.406 1.175 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001731791434 1182582537 /nfs/dbraw/zinc/58/25/37/1182582537.db2.gz CRHDMPDUOXVOQB-UONOGXRCSA-N 2 0 269.433 1.422 10 0 CDAERP CN(CC[NH2+]CCC(C)(C)C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001731983043 1182714016 /nfs/dbraw/zinc/71/40/16/1182714016.db2.gz DFFRUBBLQCBVHN-ZDUSSCGKSA-N 2 0 269.433 1.422 10 0 CDAERP CC[C@H](F)C[NH2+]CCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001731987453 1182716196 /nfs/dbraw/zinc/71/61/96/1182716196.db2.gz HILFTNLTELAGOH-AWEZNQCLSA-N 2 0 287.423 1.659 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@H]2CC[NH2+]CCCF)C1 ZINC001732520578 1182994951 /nfs/dbraw/zinc/99/49/51/1182994951.db2.gz TWJOPITZQPPNFF-GJZGRUSLSA-N 2 0 299.434 1.659 10 0 CDAERP CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001732620274 1183051481 /nfs/dbraw/zinc/05/14/81/1183051481.db2.gz NVDYDGYUHOMZCG-ZIAGYGMSSA-N 2 0 269.433 1.613 10 0 CDAERP C[NH+](C)CCC(=O)NC/C=C/C[NH2+]CCC(F)(F)F ZINC001732896097 1183175172 /nfs/dbraw/zinc/17/51/72/1183175172.db2.gz YRDQIEWVUASCPM-ONEGZZNKSA-N 2 0 281.322 1.153 10 0 CDAERP C[C@@H](C[NH2+]CC1=CCCCC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001733008928 1183234557 /nfs/dbraw/zinc/23/45/57/1183234557.db2.gz BZDISNHPXDFCLJ-AWEZNQCLSA-N 2 0 293.455 1.923 10 0 CDAERP CC/C=C/CC[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001733069911 1183276199 /nfs/dbraw/zinc/27/61/99/1183276199.db2.gz ZXQNYUFLTNCKDH-NFAHFFEMSA-N 2 0 281.444 1.875 10 0 CDAERP CC/C=C\CC[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001733069913 1183276462 /nfs/dbraw/zinc/27/64/62/1183276462.db2.gz ZXQNYUFLTNCKDH-YVACAVLKSA-N 2 0 281.444 1.875 10 0 CDAERP CC(C)[NH2+]CCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001733126293 1183300685 /nfs/dbraw/zinc/30/06/85/1183300685.db2.gz DFUUNSKJZZMZFL-CYBMUJFWSA-N 2 0 255.406 1.175 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]CCF)CN1C(=O)CCCC[NH+](C)C ZINC001734426263 1183774782 /nfs/dbraw/zinc/77/47/82/1183774782.db2.gz LFOZDPDNVCTTTH-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP CC(C)OCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001734427731 1183776133 /nfs/dbraw/zinc/77/61/33/1183776133.db2.gz JRVGQYNJBGQWDD-HUUCEWRRSA-N 2 0 299.459 1.331 10 0 CDAERP CCCC[NH2+]C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001734488581 1183797464 /nfs/dbraw/zinc/79/74/64/1183797464.db2.gz VMCHLXSPZOVOCA-LSDHHAIUSA-N 2 0 281.444 1.757 10 0 CDAERP CC[N@@H+]1CCC[C@@H](CNC(=[NH2+])N2CCC(C)CC2)C1 ZINC000303268249 1186557714 /nfs/dbraw/zinc/55/77/14/1186557714.db2.gz YORUMKLNWURPCI-AWEZNQCLSA-N 2 0 266.433 1.975 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)[C@H]1CC[C@H]2C[C@@H](C)C[N@@H+]2C1 ZINC001772441051 1187232406 /nfs/dbraw/zinc/23/24/06/1187232406.db2.gz KFPGXNRWDUKCFA-UGUYLWEFSA-N 2 0 295.471 1.809 10 0 CDAERP C[N@H+](CCC(F)(F)F)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001332334538 957517587 /nfs/dbraw/zinc/51/75/87/957517587.db2.gz LFSNNHPMQZVAEL-VIFPVBQESA-N 2 0 252.280 1.249 10 0 CDAERP COc1cccc(C[C@@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)n1 ZINC000925881663 1166748883 /nfs/dbraw/zinc/74/88/83/1166748883.db2.gz DGCZTXNDJVZCAE-UPJWGTAASA-N 2 0 263.385 1.738 10 0 CDAERP CCCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CCC)C1 ZINC001493943287 1167765554 /nfs/dbraw/zinc/76/55/54/1167765554.db2.gz WXJQYRFPZPRPJV-GJZGRUSLSA-N 2 0 281.444 1.804 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001565851916 1168185181 /nfs/dbraw/zinc/18/51/81/1168185181.db2.gz SDYUBTNQTOBIJR-KFWWJZLASA-N 2 0 281.444 1.613 10 0 CDAERP CN(CC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)C(=O)CCC[NH+](C)C ZINC001493678428 912316677 /nfs/dbraw/zinc/31/66/77/912316677.db2.gz YYQOEVFDQYIKSM-OWCLPIDISA-N 2 0 295.471 1.812 10 0 CDAERP CC(C)CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001266515177 895186757 /nfs/dbraw/zinc/18/67/57/895186757.db2.gz PHQCPJNWZIDVLG-GJZGRUSLSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)CC[N@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001480936259 897769275 /nfs/dbraw/zinc/76/92/75/897769275.db2.gz YZQVBAOMNRLLQK-AWEZNQCLSA-N 2 0 269.433 1.422 10 0 CDAERP CC[C@@H](C(=O)N(C)CC[NH2+]CCC(F)(F)F)[NH+](C)C ZINC001267430325 897900737 /nfs/dbraw/zinc/90/07/37/897900737.db2.gz NMEMVBYLGNQKDM-JTQLQIEISA-N 2 0 283.338 1.327 10 0 CDAERP COc1ccccc1OCC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000695236576 899162922 /nfs/dbraw/zinc/16/29/22/899162922.db2.gz LMYKSBAZGOQHKU-CABCVRRESA-N 2 0 276.380 1.934 10 0 CDAERP CC/C=C/CC[NH+]1CC(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001267681341 899267830 /nfs/dbraw/zinc/26/78/30/899267830.db2.gz CFPXXIYPHHFNQW-AATRIKPKSA-N 2 0 293.455 1.875 10 0 CDAERP CCCC[NH2+][C@@H](CC)CNC(=O)C12CC[NH+](CC1)C2 ZINC001267827658 899824073 /nfs/dbraw/zinc/82/40/73/899824073.db2.gz LLRDYLOKBOLWSW-ZDUSSCGKSA-N 2 0 267.417 1.367 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@](C)(C[NH2+]CCF)C1CC1 ZINC001267853774 899877363 /nfs/dbraw/zinc/87/73/63/899877363.db2.gz RCYXBDVBMBSWPN-GOEBONIOSA-N 2 0 299.434 1.703 10 0 CDAERP CC(C)[NH2+]C[C@@](C)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001267865536 899901520 /nfs/dbraw/zinc/90/15/20/899901520.db2.gz XKKYYROEQRCAFU-OAHLLOKOSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)CC[NH2+]C[C@@](C)(NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001267864642 899901830 /nfs/dbraw/zinc/90/18/30/899901830.db2.gz HZNYBJJQLOFONE-WMLDXEAASA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)C[NH2+]CCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001481286447 900094726 /nfs/dbraw/zinc/09/47/26/900094726.db2.gz KFTUFXUBMFUATC-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]CCCC1CCC1 ZINC001268013991 900296669 /nfs/dbraw/zinc/29/66/69/900296669.db2.gz ITKVJECTWAZGLT-GOEBONIOSA-N 2 0 295.471 1.860 10 0 CDAERP C[C@H](C[NH2+]C/C=C/Cl)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268056630 901026520 /nfs/dbraw/zinc/02/65/20/901026520.db2.gz TYNKIBAXLMKLBV-ONYUAGEFSA-N 2 0 273.808 1.270 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001481740314 901987226 /nfs/dbraw/zinc/98/72/26/901987226.db2.gz OGFFFZSQIYQHSK-CHWSQXEVSA-N 2 0 273.396 1.219 10 0 CDAERP CCN(CC[NH2+]CCF)C(=O)C12CCC[NH+]1CCC2 ZINC001268460419 902173809 /nfs/dbraw/zinc/17/38/09/902173809.db2.gz BZPQJNLLEKHQGD-UHFFFAOYSA-N 2 0 271.380 1.022 10 0 CDAERP CCN(CC[NH2+]C/C=C/Cl)C(=O)Cn1cncc1C ZINC001268466196 902216472 /nfs/dbraw/zinc/21/64/72/902216472.db2.gz ZMBHAGTWXXNINQ-SNAWJCMRSA-N 2 0 284.791 1.382 10 0 CDAERP CC/C=C/CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001498021002 902304778 /nfs/dbraw/zinc/30/47/78/902304778.db2.gz BDQGTROBZRCPFQ-BUHQSOCUSA-N 2 0 267.417 1.531 10 0 CDAERP CC[N@@H+]1CC[C@H]1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC001361681711 902491757 /nfs/dbraw/zinc/49/17/57/902491757.db2.gz MKBVBRXYIKSXEM-HNNXBMFYSA-N 2 0 279.428 1.558 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001268644749 902885925 /nfs/dbraw/zinc/88/59/25/902885925.db2.gz ACFCDVUZLIOXGW-TZMCWYRMSA-N 2 0 267.417 1.079 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH+](C)CCCOC)CC[N@@H+]1C ZINC001268732009 903052230 /nfs/dbraw/zinc/05/22/30/903052230.db2.gz SOFUUTYLJNUKBA-QLFBSQMISA-N 2 0 299.459 1.190 10 0 CDAERP CC1CC(C[NH2+]CCCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001268794030 903137606 /nfs/dbraw/zinc/13/76/06/903137606.db2.gz WLMUBNLPBLQKMC-GYTBAZASSA-N 2 0 295.471 1.811 10 0 CDAERP CCC/C=C/CC[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001268906046 903231675 /nfs/dbraw/zinc/23/16/75/903231675.db2.gz JMSHIECAKMCINI-JFDDCEBESA-N 2 0 293.455 1.733 10 0 CDAERP CC/C=C\CCN1CCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001482198073 903233408 /nfs/dbraw/zinc/23/34/08/903233408.db2.gz HMVPGDMSCAKKNL-YVACAVLKSA-N 2 0 297.443 1.111 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@H]2CCC[C@H]2C[NH2+]CCCF)CCC1 ZINC001272272174 903551219 /nfs/dbraw/zinc/55/12/19/903551219.db2.gz QAIKLVUJXKRYJJ-KBPBESRZSA-N 2 0 299.434 1.705 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001270121653 904374895 /nfs/dbraw/zinc/37/48/95/904374895.db2.gz NGZVAZJHPDQUGA-SOUVJXGZSA-N 2 0 281.444 1.707 10 0 CDAERP C[N@@H+]1CCN(C(=O)C[NH2+]C(C)(C)C)CCC1(C)C ZINC000712669819 904544285 /nfs/dbraw/zinc/54/42/85/904544285.db2.gz DYXZRJHXHHDIJP-UHFFFAOYSA-N 2 0 255.406 1.317 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001270458688 904653123 /nfs/dbraw/zinc/65/31/23/904653123.db2.gz VCQBAGWFZICMAS-KBPBESRZSA-N 2 0 267.417 1.223 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H](C)N(C)C(=O)CC[NH+](C)C ZINC001271092798 905638360 /nfs/dbraw/zinc/63/83/60/905638360.db2.gz LOTNRRKFZNWCTM-STQMWFEESA-N 2 0 257.422 1.421 10 0 CDAERP CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]CCC(C)C)[NH+](C)C ZINC001271169635 906102153 /nfs/dbraw/zinc/10/21/53/906102153.db2.gz FDEOCMMOAGPSQQ-ZIAGYGMSSA-N 2 0 271.449 1.809 10 0 CDAERP CCCC[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)C(C)C ZINC001271216862 906186635 /nfs/dbraw/zinc/18/66/35/906186635.db2.gz QSCDQNJRGYZZJM-CYBMUJFWSA-N 2 0 257.422 1.563 10 0 CDAERP C[C@@H]([NH2+]CCCF)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001271551531 906515794 /nfs/dbraw/zinc/51/57/94/906515794.db2.gz RCJCVWRPLLLTIO-ZIAGYGMSSA-N 2 0 297.418 1.268 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](C[NH2+]CCF)C1 ZINC001271700107 906605980 /nfs/dbraw/zinc/60/59/80/906605980.db2.gz PIRGCYLEBISAOV-UONOGXRCSA-N 2 0 287.423 1.372 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001505446734 906981714 /nfs/dbraw/zinc/98/17/14/906981714.db2.gz RLQLKSDUGGSHQS-CABCVRRESA-N 2 0 281.444 1.661 10 0 CDAERP C[C@H](CC[NH2+]CC1CC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001272980518 921298914 /nfs/dbraw/zinc/29/89/14/921298914.db2.gz YXGLOMYJBKTTEW-IPYPFGDCSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CCCF ZINC001482570481 907257363 /nfs/dbraw/zinc/25/73/63/907257363.db2.gz LJRHGAMWYLJEMG-ZDUSSCGKSA-N 2 0 273.396 1.172 10 0 CDAERP CC1(C)CO[C@H](C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)C1 ZINC000715024497 909789606 /nfs/dbraw/zinc/78/96/06/909789606.db2.gz VTRJMYXPPKISIC-MELADBBJSA-N 2 0 252.402 1.875 10 0 CDAERP CC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001409416368 910380381 /nfs/dbraw/zinc/38/03/81/910380381.db2.gz ZIMMPBKAOVDGSL-NWDGAFQWSA-N 2 0 287.367 1.384 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cccnc1 ZINC001409450325 910409120 /nfs/dbraw/zinc/40/91/20/910409120.db2.gz DLTKXGYCZOGKEL-KBPBESRZSA-N 2 0 292.427 1.405 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC2CCC2)[C@H]1C ZINC001507298878 911038877 /nfs/dbraw/zinc/03/88/77/911038877.db2.gz RSGBEBADSVSAAZ-HIFRSBDPSA-N 2 0 281.444 1.706 10 0 CDAERP CC(C)[NH2+]CCCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001483484118 911176728 /nfs/dbraw/zinc/17/67/28/911176728.db2.gz IXMRAKUMVVDGGE-UHFFFAOYSA-N 2 0 269.433 1.707 10 0 CDAERP CCCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001484125235 915448240 /nfs/dbraw/zinc/44/82/40/915448240.db2.gz MPSIMSHYNUFVRN-WBVHZDCISA-N 2 0 295.471 1.957 10 0 CDAERP Cc1ccccc1C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001493794750 915778046 /nfs/dbraw/zinc/77/80/46/915778046.db2.gz ZWTWZFBUTWUGQN-MRXNPFEDSA-N 2 0 289.423 1.495 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH+](C)C/C=C/Cl ZINC001484769552 916145545 /nfs/dbraw/zinc/14/55/45/916145545.db2.gz XHXUYQPAYNBHAW-SOFGYWHQSA-N 2 0 289.851 1.859 10 0 CDAERP COCC[N@H+](C)CCCN(C)C(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001484769153 916161207 /nfs/dbraw/zinc/16/12/07/916161207.db2.gz OVOVHBQOSVNKSO-GASCZTMLSA-N 2 0 299.459 1.286 10 0 CDAERP CC[NH+]1CC([C@@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001485526725 917067025 /nfs/dbraw/zinc/06/70/25/917067025.db2.gz NLXZZPYVFZKHCR-ZIAGYGMSSA-N 2 0 281.444 1.707 10 0 CDAERP COCC[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CCCC1 ZINC001568237227 1169194447 /nfs/dbraw/zinc/19/44/47/1169194447.db2.gz SPXSPAXBCRYQRJ-UHFFFAOYSA-N 2 0 297.443 1.136 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001392572485 919323749 /nfs/dbraw/zinc/32/37/49/919323749.db2.gz AAVVXYAPSIMIPO-AVGNSLFASA-N 2 0 275.412 1.415 10 0 CDAERP CC(C)[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001486135851 920742176 /nfs/dbraw/zinc/74/21/76/920742176.db2.gz RGGXWVCBUYQLKG-STQMWFEESA-N 2 0 255.406 1.314 10 0 CDAERP CC(C)N(CC[N@H+](C)CC1CC1)C(=O)C1CC[NH+](C)CC1 ZINC001486374824 920955974 /nfs/dbraw/zinc/95/59/74/920955974.db2.gz KMDMEVIJGMLENS-UHFFFAOYSA-N 2 0 295.471 1.907 10 0 CDAERP CCC[NH2+]C[C@H](C)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001568313060 1169238899 /nfs/dbraw/zinc/23/88/99/1169238899.db2.gz VCSPMDBAQPFQDH-QWHCGFSZSA-N 2 0 255.406 1.175 10 0 CDAERP COCCC[NH2+][C@H]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001491026058 936843826 /nfs/dbraw/zinc/84/38/26/936843826.db2.gz IRGOVHNXQHAEHW-QLFBSQMISA-N 2 0 297.443 1.134 10 0 CDAERP CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]CCCF)C1)[NH+]1CCCC1 ZINC001491041515 936845257 /nfs/dbraw/zinc/84/52/57/936845257.db2.gz BUADBQUJBGKCAZ-BETUJISGSA-N 2 0 285.407 1.457 10 0 CDAERP C[C@H]1C[N@H+](CCOCC(F)(F)C(F)F)CC[C@H]1C[NH3+] ZINC000923494860 923881425 /nfs/dbraw/zinc/88/14/25/923881425.db2.gz PLTZXFNLNXUUTC-UWVGGRQHSA-N 2 0 286.313 1.820 10 0 CDAERP CN(CC[N@H+](C)C1CC1)C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC001118205841 923931242 /nfs/dbraw/zinc/93/12/42/923931242.db2.gz SRFPQALKVTYIJP-STQMWFEESA-N 2 0 253.390 1.057 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CCCC[N@@H+]1CCC1CC1 ZINC001491237157 936881030 /nfs/dbraw/zinc/88/10/30/936881030.db2.gz QSZDOSUGTVSFCQ-INIZCTEOSA-N 2 0 293.455 1.853 10 0 CDAERP CCC[N@H+](C)CC(=O)NCC1[C@H]2C[NH+](C/C=C\Cl)C[C@@H]12 ZINC001410110065 925051142 /nfs/dbraw/zinc/05/11/42/925051142.db2.gz BWOFNINQWGKANH-OAWCYKKTSA-N 2 0 299.846 1.375 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)Cn2ccnc2C)C1 ZINC001410218369 925413782 /nfs/dbraw/zinc/41/37/82/925413782.db2.gz LERBKXAJBKOPQQ-IHRRRGAJSA-N 2 0 296.390 1.424 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)CN1C(=O)CC[NH+](C)C ZINC001410841585 926656473 /nfs/dbraw/zinc/65/64/73/926656473.db2.gz BYHBRYWCXHMOSU-UKRRQHHQSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)[N@@H+]1CC[C@@]2(NC(=O)CCc3c[nH]cn3)CCC[C@@H]12 ZINC001410920768 926764657 /nfs/dbraw/zinc/76/46/57/926764657.db2.gz YTHYZRCFABQEGX-ZBFHGGJFSA-N 2 0 290.411 1.864 10 0 CDAERP CC[N@H+](CCF)CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001490362286 927157189 /nfs/dbraw/zinc/15/71/89/927157189.db2.gz TUWZPHLIVQFJCJ-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](CCCCCF)C2)C1 ZINC001490561038 927228529 /nfs/dbraw/zinc/22/85/29/927228529.db2.gz NFYFMSAIGGWONF-GJZGRUSLSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCCCCF)C1 ZINC001490580394 927238927 /nfs/dbraw/zinc/23/89/27/927238927.db2.gz ZFSSGGBLOSFCRC-CQSZACIVSA-N 2 0 287.423 1.657 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]([NH2+]CC)C2CC2)C1 ZINC001490700154 927309525 /nfs/dbraw/zinc/30/95/25/927309525.db2.gz PIENDQHPIIWKCJ-GJZGRUSLSA-N 2 0 281.444 1.613 10 0 CDAERP CCC(CC)C[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001490739964 927315195 /nfs/dbraw/zinc/31/51/95/927315195.db2.gz NPCLDGBDPBUGCM-HOTGVXAUSA-N 2 0 295.471 1.859 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCCCCCC[NH+](C)C ZINC000861565575 929306880 /nfs/dbraw/zinc/30/68/80/929306880.db2.gz BTPUQCUFFZKWJH-LSDHHAIUSA-N 2 0 298.475 1.938 10 0 CDAERP C[C@@H](C[NH2+]CCc1ccc(F)cc1)CN1CC[NH+](C)CC1 ZINC001116510558 937452505 /nfs/dbraw/zinc/45/25/05/937452505.db2.gz TXZGVHATNLOGCN-HNNXBMFYSA-N 2 0 293.430 1.841 10 0 CDAERP O=C(C[NH+]1CCCC1)NC/C=C\C[NH2+]CC1=CCCCC1 ZINC001274578510 931510956 /nfs/dbraw/zinc/51/09/56/931510956.db2.gz JHYKVFHRDAFUCD-PLNGDYQASA-N 2 0 291.439 1.845 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CCC23CC[NH+](C)CC3)CC[N@@H+]1C ZINC000844134885 931548442 /nfs/dbraw/zinc/54/84/42/931548442.db2.gz PBEFTXGXMAVNHI-CHWSQXEVSA-N 2 0 265.401 1.023 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001274764044 931571597 /nfs/dbraw/zinc/57/15/97/931571597.db2.gz WQHMRLSOSPTJEA-UONOGXRCSA-N 2 0 269.433 1.611 10 0 CDAERP CC[NH+](CC)CCC[C@@H](C)NC(=O)CC1CC([NH3+])C1 ZINC000718058041 931576422 /nfs/dbraw/zinc/57/64/22/931576422.db2.gz HDJQFAXYIQLEON-IYXRBSQSSA-N 2 0 269.433 1.741 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001274883328 931600755 /nfs/dbraw/zinc/60/07/55/931600755.db2.gz ISCOPJGLKWBJBP-KGLIPLIRSA-N 2 0 267.417 1.531 10 0 CDAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]C/C=C\Cl ZINC001275149950 931680530 /nfs/dbraw/zinc/68/05/30/931680530.db2.gz SLMYCJKMMTVSKC-REPZICSESA-N 2 0 287.835 1.706 10 0 CDAERP CCC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)C[C@@H](F)CC ZINC001442951598 931823521 /nfs/dbraw/zinc/82/35/21/931823521.db2.gz NWALCAASZGIIQT-AWEZNQCLSA-N 2 0 299.434 1.659 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCC1 ZINC001411644949 931940116 /nfs/dbraw/zinc/94/01/16/931940116.db2.gz RRCLENDQMCROAY-ZIAGYGMSSA-N 2 0 279.428 1.604 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)[N@H+](C)CCC1CC1)[NH+](C)C ZINC001275859093 932101155 /nfs/dbraw/zinc/10/11/55/932101155.db2.gz VMLZTLOADXJYFJ-GXTWGEPZSA-N 2 0 269.433 1.563 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+]Cc1cnc(C)o1 ZINC001448767830 932227640 /nfs/dbraw/zinc/22/76/40/932227640.db2.gz VHGLRMGTBBMUSX-LBPRGKRZSA-N 2 0 296.415 1.261 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)CCCC1 ZINC001412272688 932360620 /nfs/dbraw/zinc/36/06/20/932360620.db2.gz WTKAYRKWVWBBQT-OKILXGFUSA-N 2 0 279.428 1.604 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC001412436958 932428789 /nfs/dbraw/zinc/42/87/89/932428789.db2.gz XVMWGRNKZLOYPR-OFQRWUPVSA-N 2 0 293.455 1.707 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)CC1 ZINC001413136440 935914829 /nfs/dbraw/zinc/91/48/29/935914829.db2.gz CYMKQGMPZIJSPP-INIZCTEOSA-N 2 0 295.471 1.907 10 0 CDAERP [NH3+][C@@H]1C[C@@H](NCC[NH+]2CCCCCC2)C12CCC2 ZINC000405352517 940984730 /nfs/dbraw/zinc/98/47/30/940984730.db2.gz PBVQKWJPIYQPJO-ZIAGYGMSSA-N 2 0 251.418 1.722 10 0 CDAERP [NH3+][C@H]1C[C@H](NCC[NH+]2CCCCCC2)C12CCC2 ZINC000405352512 940984838 /nfs/dbraw/zinc/98/48/38/940984838.db2.gz PBVQKWJPIYQPJO-KBPBESRZSA-N 2 0 251.418 1.722 10 0 CDAERP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCOCCCO ZINC000423115078 941667780 /nfs/dbraw/zinc/66/77/80/941667780.db2.gz XCIPPWONPOLRCI-UONOGXRCSA-N 2 0 258.406 1.286 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)[C@H]1CCC[NH+](C(C)C)C1 ZINC001362073048 970849069 /nfs/dbraw/zinc/84/90/69/970849069.db2.gz ICQGFUHFOQANPW-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]C(C)C)C1 ZINC001277075533 941916784 /nfs/dbraw/zinc/91/67/84/941916784.db2.gz XKDPAJCJAYJZSP-JOCQHMNTSA-N 2 0 255.406 1.221 10 0 CDAERP OC1(C[NH+]2CCCCC2)CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC001473875305 970872284 /nfs/dbraw/zinc/87/22/84/970872284.db2.gz OGCYPYFMJUNVHY-INIZCTEOSA-N 2 0 296.455 1.726 10 0 CDAERP CCN(CC[NH2+]CCF)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001568781506 1169473249 /nfs/dbraw/zinc/47/32/49/1169473249.db2.gz FZGVDQSLJQIJIV-CQSZACIVSA-N 2 0 287.423 1.657 10 0 CDAERP CCOCC[N@H+](C)CCCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001280822890 942494061 /nfs/dbraw/zinc/49/40/61/942494061.db2.gz ORUIIZCJUBDWTI-OAHLLOKOSA-N 2 0 299.459 1.288 10 0 CDAERP CCC1([NH2+]CCCOC)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001281036834 942528132 /nfs/dbraw/zinc/52/81/32/942528132.db2.gz MPBYZPDPZWUPMC-UHFFFAOYSA-N 2 0 299.459 1.335 10 0 CDAERP C[C@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H](C)[NH2+]CCCF ZINC001282186342 942675230 /nfs/dbraw/zinc/67/52/30/942675230.db2.gz UGCNMEHKSJJBFT-RYUDHWBXSA-N 2 0 273.396 1.171 10 0 CDAERP CC[C@@H](C(=O)NCC1=CC[N@H+](CC(C)C)CC1)[NH+](C)C ZINC001284957061 943299808 /nfs/dbraw/zinc/29/98/08/943299808.db2.gz MDOOXEARCCMUGW-HNNXBMFYSA-N 2 0 281.444 1.731 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CCCF)CCN1C(=O)CCc1c[nH]cn1 ZINC001277749034 943466429 /nfs/dbraw/zinc/46/64/29/943466429.db2.gz UUGABHJHUATTTQ-OLZOCXBDSA-N 2 0 296.390 1.671 10 0 CDAERP CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001263927855 944034901 /nfs/dbraw/zinc/03/49/01/944034901.db2.gz PEFLZMBAMXMTNK-BFHYXJOUSA-N 2 0 269.433 1.467 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NCCC[NH+](CCF)C2CC2)C1 ZINC001265181091 944261566 /nfs/dbraw/zinc/26/15/66/944261566.db2.gz OJKPSYIDFBIXGF-CYBMUJFWSA-N 2 0 285.407 1.268 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NCCC[NH+](CCF)C2CC2)C1 ZINC001265181092 944262674 /nfs/dbraw/zinc/26/26/74/944262674.db2.gz OJKPSYIDFBIXGF-ZDUSSCGKSA-N 2 0 285.407 1.268 10 0 CDAERP CC(C)C[C@H](CNC(=O)CC[N@@H+]1CC[C@H](F)C1)[NH+](C)C ZINC001362250070 971072507 /nfs/dbraw/zinc/07/25/07/971072507.db2.gz SXXRJUPIDNRRKL-UONOGXRCSA-N 2 0 287.423 1.513 10 0 CDAERP CC/C=C/CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]cn1 ZINC001265722687 944480226 /nfs/dbraw/zinc/48/02/26/944480226.db2.gz QHBMTDTTYAXTHD-LEHUHZJRSA-N 2 0 288.395 1.355 10 0 CDAERP C[NH+](CC(=O)NCCC[N@@H+](C)C/C=C\Cl)C1CCC1 ZINC001265863135 944546211 /nfs/dbraw/zinc/54/62/11/944546211.db2.gz UDIAPIDYCDWRFZ-YWEYNIOJSA-N 2 0 287.835 1.661 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC1=CCCCC1 ZINC001278017347 944590722 /nfs/dbraw/zinc/59/07/22/944590722.db2.gz JLCKILOSZUURRG-GOEBONIOSA-N 2 0 293.455 1.875 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NC[C@H]2CCC[N@H+](C)C2)C1 ZINC001362272233 971100643 /nfs/dbraw/zinc/10/06/43/971100643.db2.gz UNJQSRKXLKWXST-KFWWJZLASA-N 2 0 281.444 1.565 10 0 CDAERP COC[C@@H](C)[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001266125429 944697609 /nfs/dbraw/zinc/69/76/09/944697609.db2.gz AOKGKXNBYQSVHM-UKRRQHHQSA-N 2 0 297.443 1.086 10 0 CDAERP CN(CCF)C[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001479738439 971389057 /nfs/dbraw/zinc/38/90/57/971389057.db2.gz CENUUIGRXDDJHH-AWEZNQCLSA-N 2 0 297.418 1.365 10 0 CDAERP C[C@@H]1C[C@H]2CC[C@@H](C(=O)N3C[C@H]4CC[NH+](C)[C@H]4C3)C[N@@H+]2C1 ZINC001362713648 971553216 /nfs/dbraw/zinc/55/32/16/971553216.db2.gz NIVDOCAJEQOIQL-QCODTGAPSA-N 2 0 291.439 1.269 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001569061787 1169624473 /nfs/dbraw/zinc/62/44/73/1169624473.db2.gz PCVUIZDRTAZBQU-NEPJUHHUSA-N 2 0 273.396 1.313 10 0 CDAERP CCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001278572677 950214449 /nfs/dbraw/zinc/21/44/49/950214449.db2.gz QFCZZKJCRXIFQY-HOCLYGCPSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]CCF)[NH+]1CCCCC1 ZINC001569098823 1169644651 /nfs/dbraw/zinc/64/46/51/1169644651.db2.gz GTAICGIJNOJHAF-KBPBESRZSA-N 2 0 287.423 1.561 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccns1 ZINC001480463299 971741834 /nfs/dbraw/zinc/74/18/34/971741834.db2.gz TXBBAVNKSXFIMT-NQBHXWOUSA-N 2 0 296.440 1.078 10 0 CDAERP CC(C)CC[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001480487805 971750738 /nfs/dbraw/zinc/75/07/38/971750738.db2.gz ZPLNVSVGTSDAEQ-ZIAGYGMSSA-N 2 0 269.433 1.611 10 0 CDAERP CCCC[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001480753448 971863813 /nfs/dbraw/zinc/86/38/13/971863813.db2.gz GVPPDQSBDVRATD-CHWSQXEVSA-N 2 0 255.406 1.365 10 0 CDAERP C[NH2+]CCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001325312567 953830346 /nfs/dbraw/zinc/83/03/46/953830346.db2.gz ZRHRCLJJSINEJW-UONOGXRCSA-N 2 0 294.374 1.090 10 0 CDAERP CSC[C@@H](O)C[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001364566283 954815808 /nfs/dbraw/zinc/81/58/08/954815808.db2.gz ZKYGFOWTXYCSBU-SOUVJXGZSA-N 2 0 284.469 1.518 10 0 CDAERP CCC[NH2+]C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001491829820 955456282 /nfs/dbraw/zinc/45/62/82/955456282.db2.gz RWIALGUYLXROQO-CYBMUJFWSA-N 2 0 267.417 1.176 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001491858505 955471391 /nfs/dbraw/zinc/47/13/91/955471391.db2.gz JPUUOFIHDNGBDU-UONOGXRCSA-N 2 0 278.400 1.367 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+]CC1CC(F)(F)C1 ZINC001421737765 955514267 /nfs/dbraw/zinc/51/42/67/955514267.db2.gz GKIIVCQXQOIOSV-NSHDSACASA-N 2 0 291.386 1.325 10 0 CDAERP C[C@@H](F)CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CCC1 ZINC001421754848 955527259 /nfs/dbraw/zinc/52/72/59/955527259.db2.gz UDDNBLVIYIFMFD-ZIAGYGMSSA-N 2 0 299.434 1.847 10 0 CDAERP CC[C@@H](C)C[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001493768844 972112230 /nfs/dbraw/zinc/11/22/30/972112230.db2.gz CPMZYOKMZXSYDX-ZIAGYGMSSA-N 2 0 271.449 1.667 10 0 CDAERP C[C@H](CCNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]CC1CC1 ZINC001492036856 955622595 /nfs/dbraw/zinc/62/25/95/955622595.db2.gz LRZKROKZGFWBPA-UKRRQHHQSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@H](C)[NH2+]CCCO ZINC001329032343 955640756 /nfs/dbraw/zinc/64/07/56/955640756.db2.gz FCTRMRLUNLNVDV-UONOGXRCSA-N 2 0 299.459 1.116 10 0 CDAERP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC001329148629 955719784 /nfs/dbraw/zinc/71/97/84/955719784.db2.gz LZFLPJIEYHGZDG-XPABHHOTSA-N 2 0 268.401 1.158 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CC1CC1 ZINC001329174916 955738281 /nfs/dbraw/zinc/73/82/81/955738281.db2.gz XIKRPDDSKQRGHF-VXGBXAGGSA-N 2 0 255.406 1.221 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ocnc1C ZINC001422400939 955981401 /nfs/dbraw/zinc/98/14/01/955981401.db2.gz ODPYWXVAAIWMPJ-NEPJUHHUSA-N 2 0 296.415 1.308 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ocnc1C ZINC001422400947 955982463 /nfs/dbraw/zinc/98/24/63/955982463.db2.gz ODPYWXVAAIWMPJ-NWDGAFQWSA-N 2 0 296.415 1.308 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001494020781 972164435 /nfs/dbraw/zinc/16/44/35/972164435.db2.gz ODXVQAFTCXKLMT-GDBMZVCRSA-N 2 0 293.455 1.566 10 0 CDAERP CC[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1C ZINC001365729760 956321347 /nfs/dbraw/zinc/32/13/47/956321347.db2.gz MJXDEJZHNWYLBH-KGLIPLIRSA-N 2 0 279.428 1.176 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001365834718 956397120 /nfs/dbraw/zinc/39/71/20/956397120.db2.gz QHTFFKYQQXDMEK-AAVRWANBSA-N 2 0 285.407 1.313 10 0 CDAERP CC[C@@H](C)C[N@H+](C)C[C@@H](C)NC(=O)Cn1cncc1C ZINC001422850784 956403818 /nfs/dbraw/zinc/40/38/18/956403818.db2.gz YRMNQIVFLPLNNS-CHWSQXEVSA-N 2 0 280.416 1.674 10 0 CDAERP CCC[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001365857925 956410174 /nfs/dbraw/zinc/41/01/74/956410174.db2.gz YSAJLMMAVUULTP-QLFBSQMISA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@]2(C)C[NH+](CCF)C[C@]2(C)C1 ZINC001422873427 956417313 /nfs/dbraw/zinc/41/73/13/956417313.db2.gz FLBALFXZDLACDW-IYBDPMFKSA-N 2 0 299.434 1.467 10 0 CDAERP CC(C)CCC[N@H+](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001422929266 956457927 /nfs/dbraw/zinc/45/79/27/956457927.db2.gz RRNHEMCNIGGBMU-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CC[N@H+](C)[C@H](C(C)(C)C)C1 ZINC001363465132 972187311 /nfs/dbraw/zinc/18/73/11/972187311.db2.gz URQFWKDEASHCIZ-KGLIPLIRSA-N 2 0 283.460 1.763 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001480681152 956482660 /nfs/dbraw/zinc/48/26/60/956482660.db2.gz VEOLBIOKMAHLML-OAHLLOKOSA-N 2 0 281.444 1.731 10 0 CDAERP CC(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001422987720 956495629 /nfs/dbraw/zinc/49/56/29/956495629.db2.gz NGNPGPDOCFILPV-LSDHHAIUSA-N 2 0 281.444 1.563 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001365996827 956502446 /nfs/dbraw/zinc/50/24/46/956502446.db2.gz GTGICSNZLUYTDS-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)CC[NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001366054371 956534801 /nfs/dbraw/zinc/53/48/01/956534801.db2.gz ACELCYYLLNQZEC-HNNXBMFYSA-N 2 0 293.455 1.613 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]([NH2+]CC2CCC2)C2CC2)C1 ZINC001366080537 956549999 /nfs/dbraw/zinc/54/99/99/956549999.db2.gz SETAJYQWELWKBT-CABCVRRESA-N 2 0 279.428 1.223 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001366115001 956575666 /nfs/dbraw/zinc/57/56/66/956575666.db2.gz DOZIQNJREWHCGX-TUVASFSCSA-N 2 0 283.460 1.856 10 0 CDAERP O=C(N[C@H]1C[C@@H]([NH2+]C/C=C/Cl)C1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001366151974 956604877 /nfs/dbraw/zinc/60/48/77/956604877.db2.gz XTKDYFHKEDTFGY-UOFPCKCQSA-N 2 0 294.786 1.503 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCC2([NH2+]CC3CC3)CC2)CC[N@@H+]1C ZINC001423275843 956701233 /nfs/dbraw/zinc/70/12/33/956701233.db2.gz SEAXYHITGXOEPJ-JSGCOSHPSA-N 2 0 279.428 1.365 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001366391838 956789929 /nfs/dbraw/zinc/78/99/29/956789929.db2.gz YNUYTDNWAJSGEI-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001366402535 956796771 /nfs/dbraw/zinc/79/67/71/956796771.db2.gz ARXMBARUSLKMBP-LSDHHAIUSA-N 2 0 281.444 1.422 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001366402533 956796986 /nfs/dbraw/zinc/79/69/86/956796986.db2.gz ARXMBARUSLKMBP-HUUCEWRRSA-N 2 0 281.444 1.422 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccon2)C1 ZINC001366435967 956823180 /nfs/dbraw/zinc/82/31/80/956823180.db2.gz UJMLUHFFBZCHQQ-CHWSQXEVSA-N 2 0 294.399 1.143 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001331405124 957028777 /nfs/dbraw/zinc/02/87/77/957028777.db2.gz KCXLBBALJDJYCO-STQMWFEESA-N 2 0 255.406 1.173 10 0 CDAERP CC[C@@H](C)C[N@H+](CC)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001366617630 957040925 /nfs/dbraw/zinc/04/09/25/957040925.db2.gz YATACNVMJKTLDL-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CCCF)[NH+](C)C ZINC001331558392 957138024 /nfs/dbraw/zinc/13/80/24/957138024.db2.gz AKBBAZUIOLLXAP-RYUDHWBXSA-N 2 0 261.385 1.123 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H](C)CC)C1 ZINC001317124661 957287782 /nfs/dbraw/zinc/28/77/82/957287782.db2.gz UBCPFISWRGWVEV-MELADBBJSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)C[C@H](C)C[NH+]1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001366975999 957313245 /nfs/dbraw/zinc/31/32/45/957313245.db2.gz MKKZPIRWTWJVGQ-AWEZNQCLSA-N 2 0 283.460 1.668 10 0 CDAERP Cc1oncc1C[NH2+][C@@H](C)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001424836972 957377159 /nfs/dbraw/zinc/37/71/59/957377159.db2.gz XNSFQYUCFAKTNJ-RYUDHWBXSA-N 2 0 296.415 1.308 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1conc1C ZINC001424854331 957383852 /nfs/dbraw/zinc/38/38/52/957383852.db2.gz VPNJOWUYJUUWEB-RYUDHWBXSA-N 2 0 296.415 1.308 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](C[NH2+]CCCF)C2)C1 ZINC001317339205 957429667 /nfs/dbraw/zinc/42/96/67/957429667.db2.gz RFTSTEGFEWQOKA-KBPBESRZSA-N 2 0 285.407 1.126 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001317344879 957431907 /nfs/dbraw/zinc/43/19/07/957431907.db2.gz VQCVHQFUJOVINY-KGLIPLIRSA-N 2 0 285.407 1.268 10 0 CDAERP C[NH+](C)CCC(=O)NCC[N@H+](C)CC1=CCCCC1 ZINC001317460325 957489975 /nfs/dbraw/zinc/48/99/75/957489975.db2.gz XBIUFQGEZHOQEG-UHFFFAOYSA-N 2 0 267.417 1.487 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)C1C[NH+](CC2CC(C)C2)C1 ZINC001425248630 957499738 /nfs/dbraw/zinc/49/97/38/957499738.db2.gz FTKYSXAIHIPFGJ-ROKHWSDSSA-N 2 0 281.444 1.421 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCCCCF ZINC001317499153 957514341 /nfs/dbraw/zinc/51/43/41/957514341.db2.gz YHKLKWMFVKXBEH-CABCVRRESA-N 2 0 299.434 1.801 10 0 CDAERP C[C@@H](NC(=O)C[NH+]1CCCC1)C1CC[NH+](CCF)CC1 ZINC001426177733 957819124 /nfs/dbraw/zinc/81/91/24/957819124.db2.gz NXWBLLCMBRXJIB-CYBMUJFWSA-N 2 0 285.407 1.268 10 0 CDAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]CC1CCC1 ZINC001367287014 957907590 /nfs/dbraw/zinc/90/75/90/957907590.db2.gz JDWWMAWRYSXQKJ-ZDUSSCGKSA-N 2 0 279.428 1.224 10 0 CDAERP CC(C)[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CC1CC1 ZINC001367483481 958048266 /nfs/dbraw/zinc/04/82/66/958048266.db2.gz TZQQCEODIXSIGM-CWRNSKLLSA-N 2 0 295.471 1.857 10 0 CDAERP CCC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001318445748 958108651 /nfs/dbraw/zinc/10/86/51/958108651.db2.gz PQRHPXTYFUXKFV-CYBMUJFWSA-N 2 0 255.406 1.269 10 0 CDAERP CC[C@@H](C(=O)N(C)CC[N@H+](C)Cc1ccsc1)[NH+](C)C ZINC001367547367 958126657 /nfs/dbraw/zinc/12/66/57/958126657.db2.gz ZNXMMJNEFSHDKH-AWEZNQCLSA-N 2 0 297.468 1.979 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC2(C[NH2+]CCF)CCCC2)C1 ZINC001318654221 958213124 /nfs/dbraw/zinc/21/31/24/958213124.db2.gz NEJKXLDGEWIJEM-ZDUSSCGKSA-N 2 0 285.407 1.316 10 0 CDAERP C[C@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001367712122 958229879 /nfs/dbraw/zinc/22/98/79/958229879.db2.gz KGEFFOBYISTCQV-TZMCWYRMSA-N 2 0 281.444 1.469 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]C/C=C\Cl)C1 ZINC001319129601 958387866 /nfs/dbraw/zinc/38/78/66/958387866.db2.gz GGWCZJAQGQUSRV-SRGUYAIJSA-N 2 0 285.819 1.271 10 0 CDAERP C[C@@H](C[N@H+](C)CCC1CC1)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001367840362 958419992 /nfs/dbraw/zinc/41/99/92/958419992.db2.gz XXULRBMHCJTPAB-KGLIPLIRSA-N 2 0 281.444 1.565 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H](C[NH2+]CC2CC2)C2CC2)C1 ZINC001367923437 958478527 /nfs/dbraw/zinc/47/85/27/958478527.db2.gz SIXLNUPPDOVQOV-ZFWWWQNUSA-N 2 0 279.428 1.223 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001367951776 958508347 /nfs/dbraw/zinc/50/83/47/958508347.db2.gz NOWJJSRQDJFFHM-QWHCGFSZSA-N 2 0 285.407 1.409 10 0 CDAERP CC(C)CC[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001368017811 958579812 /nfs/dbraw/zinc/57/98/12/958579812.db2.gz LCYAXSXIDXFULZ-UHFFFAOYSA-N 2 0 281.444 1.613 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)[C@H](C)C[NH2+]CCC(F)(F)F ZINC001319556796 958627321 /nfs/dbraw/zinc/62/73/21/958627321.db2.gz DNAOQXWZCWDNLR-LLVKDONJSA-N 2 0 297.365 1.717 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@]1(C)CC[NH+](CC[C@H](C)F)C1 ZINC001368185759 958690915 /nfs/dbraw/zinc/69/09/15/958690915.db2.gz YMDXIYUVVZTLRE-DZGCQCFKSA-N 2 0 287.423 1.657 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(C)CCC[NH+](CC)C2)CC[N@@H+]1C ZINC001368219663 958710233 /nfs/dbraw/zinc/71/02/33/958710233.db2.gz SKIWXTRJTNUGDG-ZMSDIMECSA-N 2 0 295.471 1.955 10 0 CDAERP c1n[nH]cc1CC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC001334390046 959078676 /nfs/dbraw/zinc/07/86/76/959078676.db2.gz LFCGKNSBYVSJRY-LSDHHAIUSA-N 2 0 262.401 1.710 10 0 CDAERP Cc1cnc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CC[NH+](C)C)s1 ZINC001368867905 959207857 /nfs/dbraw/zinc/20/78/57/959207857.db2.gz ODCCEEJUKNAILR-VXGBXAGGSA-N 2 0 298.456 1.386 10 0 CDAERP CC(C)CC[NH+]1CC([C@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001369087116 959451319 /nfs/dbraw/zinc/45/13/19/959451319.db2.gz FEPPOQKXZLJZSY-CABCVRRESA-N 2 0 295.471 1.811 10 0 CDAERP CC[C@@H](C(=O)N[C@]12CCC[C@H]1[N@@H+](C(C)C)CC2)[NH+](C)C ZINC001369418062 959675834 /nfs/dbraw/zinc/67/58/34/959675834.db2.gz VTSKTKHNMZQZEQ-LZWOXQAQSA-N 2 0 281.444 1.848 10 0 CDAERP COc1ccc(CC[NH2+][C@@H](C)CCCC[NH3+])cn1 ZINC001335383103 959761845 /nfs/dbraw/zinc/76/18/45/959761845.db2.gz QOEDQLXHPGXNPC-LBPRGKRZSA-N 2 0 251.374 1.740 10 0 CDAERP C[C@H](C[NH2+]CCC(F)(F)F)NC(=O)C1(C[NH+](C)C)CC1 ZINC001321627923 959881199 /nfs/dbraw/zinc/88/11/99/959881199.db2.gz OKDBJUKLZBVXIR-SNVBAGLBSA-N 2 0 295.349 1.375 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]CCF)[NH+]1CCCCC1 ZINC001321755831 959932597 /nfs/dbraw/zinc/93/25/97/959932597.db2.gz GTAICGIJNOJHAF-ZIAGYGMSSA-N 2 0 287.423 1.561 10 0 CDAERP C[C@@H](C[NH2+]C/C=C\Cl)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001322041975 960065790 /nfs/dbraw/zinc/06/57/90/960065790.db2.gz NMBKYSSYSFCQML-HRHAQSILSA-N 2 0 273.808 1.175 10 0 CDAERP CC[C@H](C(=O)N1CC[C@H]([NH2+]C/C=C\Cl)C1)[NH+](C)C ZINC001370362704 960071498 /nfs/dbraw/zinc/07/14/98/960071498.db2.gz KKRAEQZHGRZUND-ZADDAZQUSA-N 2 0 273.808 1.270 10 0 CDAERP CCc1nc(C)c(C[NH2+][C@@H](C)CNC(=O)CC[NH+](C)C)o1 ZINC001371344850 972481288 /nfs/dbraw/zinc/48/12/88/972481288.db2.gz GVZUNJLLFRKSLQ-NSHDSACASA-N 2 0 296.415 1.091 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001323107332 960459852 /nfs/dbraw/zinc/45/98/52/960459852.db2.gz AVXGRJCQBMCQOL-HNNXBMFYSA-N 2 0 279.428 1.533 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+]2CCCCCF)C1 ZINC001323303058 960628215 /nfs/dbraw/zinc/62/82/15/960628215.db2.gz RDMOQUUUPHUSIY-LSDHHAIUSA-N 2 0 299.434 1.659 10 0 CDAERP Cc1ncccc1C[NH2+][C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001371465442 972522644 /nfs/dbraw/zinc/52/26/44/972522644.db2.gz BLXKVSCPQRJZRI-CYBMUJFWSA-N 2 0 290.411 1.080 10 0 CDAERP CC(C)OCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001418595745 960774144 /nfs/dbraw/zinc/77/41/44/960774144.db2.gz RXIMEXUNOZUTLO-GJZGRUSLSA-N 2 0 297.443 1.086 10 0 CDAERP C(CC[NH+]1CCOCC1)C[NH2+]C[C@H]1CCCOC1 ZINC001560270547 960917249 /nfs/dbraw/zinc/91/72/49/960917249.db2.gz ZHLPKQYDCLZRTF-CQSZACIVSA-N 2 0 256.390 1.115 10 0 CDAERP CCCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC001418877952 961121142 /nfs/dbraw/zinc/12/11/42/961121142.db2.gz VWHVBWRRMAXXCB-CABCVRRESA-N 2 0 299.459 1.020 10 0 CDAERP C[N@@H+]1C[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[NH+]32)C(C)(C)C1 ZINC001434379428 961241686 /nfs/dbraw/zinc/24/16/86/961241686.db2.gz BWLIJHFGCPBHSQ-MCIONIFRSA-N 2 0 279.428 1.460 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001419742699 962058958 /nfs/dbraw/zinc/05/89/58/962058958.db2.gz HYSQMDWTJLWARH-STQMWFEESA-N 2 0 273.396 1.267 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]C/C=C\Cl ZINC001419843006 962154316 /nfs/dbraw/zinc/15/43/16/962154316.db2.gz UHNAWGDEJVSGBQ-VFBPMIHOSA-N 2 0 287.835 1.564 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N(C)C[C@H]2CC[NH+]2CCC2CC2)C1 ZINC001436322956 962179238 /nfs/dbraw/zinc/17/92/38/962179238.db2.gz NRYJXITWFFFTDH-GOEBONIOSA-N 2 0 293.455 1.661 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N(C)CC[NH+](C)CC2CC2)CC[N@@H+]1C ZINC001420018214 962381803 /nfs/dbraw/zinc/38/18/03/962381803.db2.gz SMIKUNQBSKWQHY-ZFWWWQNUSA-N 2 0 281.444 1.517 10 0 CDAERP C[C@@H](C(=O)N1CCC(C)([NH+](C)C)CC1)n1ccnc1 ZINC001339701832 962491635 /nfs/dbraw/zinc/49/16/35/962491635.db2.gz NISLXQDHQFNQST-LBPRGKRZSA-N 2 0 264.373 1.387 10 0 CDAERP CO[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001436963052 962530356 /nfs/dbraw/zinc/53/03/56/962530356.db2.gz BLTMXCNMXAAVFU-MCIONIFRSA-N 2 0 299.459 1.236 10 0 CDAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC1CC(F)(F)C1 ZINC001437262654 962777225 /nfs/dbraw/zinc/77/72/25/962777225.db2.gz RGTWECAULLJTFW-NSHDSACASA-N 2 0 289.370 1.222 10 0 CDAERP Cc1ccc(C[NH2+][C@H](C)CNC(=O)C[NH+]2CCCC2)cc1 ZINC001437261540 962777273 /nfs/dbraw/zinc/77/72/73/962777273.db2.gz OBGKZJFDCYUTAX-OAHLLOKOSA-N 2 0 289.423 1.685 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)CC1CC(F)(F)C1 ZINC001437569057 963019727 /nfs/dbraw/zinc/01/97/27/963019727.db2.gz FKFIKCPZLMIHOX-UHFFFAOYSA-N 2 0 291.386 1.420 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC[C@H](C)F ZINC001437593944 963049495 /nfs/dbraw/zinc/04/94/95/963049495.db2.gz IVNRERCMVNDMRX-BFHYXJOUSA-N 2 0 287.423 1.513 10 0 CDAERP CC(C)[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C1CC1 ZINC001437803745 963187435 /nfs/dbraw/zinc/18/74/35/963187435.db2.gz JGMGAGYCZXFFOM-KBPBESRZSA-N 2 0 281.444 1.706 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NCC[C@@H]2CC[NH+](CCCF)C2)C1 ZINC001420878246 963322662 /nfs/dbraw/zinc/32/26/62/963322662.db2.gz BNWCAFHURNXNIM-ZIAGYGMSSA-N 2 0 285.407 1.126 10 0 CDAERP CO[C@H](C)C[N@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001420953041 963383191 /nfs/dbraw/zinc/38/31/91/963383191.db2.gz PTCWJPSOXCDESN-HUUCEWRRSA-N 2 0 299.459 1.142 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@]2(C)CC[NH+](CCC3CC3)C2)C1 ZINC001421217009 963503343 /nfs/dbraw/zinc/50/33/43/963503343.db2.gz FXSADMLUJAWDJP-RHSMWYFYSA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)C[C@@H](C[NH2+]CC1CC1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001438737691 963540394 /nfs/dbraw/zinc/54/03/94/963540394.db2.gz SYOCOJHXRGEIPD-HOCLYGCPSA-N 2 0 295.471 1.859 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCC2CC2)[C@H](C)C1 ZINC001438777371 963548305 /nfs/dbraw/zinc/54/83/05/963548305.db2.gz RQQDASJDGWWMDB-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP Cc1cccc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001439283959 963698714 /nfs/dbraw/zinc/69/87/14/963698714.db2.gz WQPCWBCWUJZYHQ-GOEBONIOSA-N 2 0 289.423 1.541 10 0 CDAERP CC(C)[C@@H](C(=O)NCC1([NH2+]CC2CC2)CC1)[NH+]1CCCC1 ZINC001439679147 963837730 /nfs/dbraw/zinc/83/77/30/963837730.db2.gz WHVVNODWIQZQEG-HNNXBMFYSA-N 2 0 293.455 1.755 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001439783407 963858070 /nfs/dbraw/zinc/85/80/70/963858070.db2.gz OGABJWPBKWJYDP-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]CC2CCC2)C1 ZINC001440124989 963932408 /nfs/dbraw/zinc/93/24/08/963932408.db2.gz PQUNKIVTYHXNCR-HOCLYGCPSA-N 2 0 295.471 1.953 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CC2CC2)C1 ZINC001440135648 963934096 /nfs/dbraw/zinc/93/40/96/963934096.db2.gz LGRVDLZSOOEVAY-ZBFHGGJFSA-N 2 0 295.471 1.812 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC2CC2)[C@@H]1CC ZINC001440453100 964056458 /nfs/dbraw/zinc/05/64/58/964056458.db2.gz OTNQZVKVLJWGFY-LSDHHAIUSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]Cc1cncs1 ZINC001440815071 964196347 /nfs/dbraw/zinc/19/63/47/964196347.db2.gz FQJROMMMHDLWDC-NWDGAFQWSA-N 2 0 298.456 1.468 10 0 CDAERP CCC[NH2+][C@H](CCN(C)C(=O)C[NH+]1CCCC1)C(C)C ZINC001441089356 964356750 /nfs/dbraw/zinc/35/67/50/964356750.db2.gz GLUYKDMWLDJCBH-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)C1C[NH+](Cc2ccsc2)C1 ZINC001441183586 964409903 /nfs/dbraw/zinc/40/99/03/964409903.db2.gz UOJVPVXCSZSPER-GFCCVEGCSA-N 2 0 295.452 1.636 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001441368834 964478745 /nfs/dbraw/zinc/47/87/45/964478745.db2.gz YYZRXDXJIZUGFE-APIJFGDWSA-N 2 0 299.434 1.561 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001441415766 964505239 /nfs/dbraw/zinc/50/52/39/964505239.db2.gz NUJQUJGFEZFSOC-AAVRWANBSA-N 2 0 285.407 1.313 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1ccc(C)cc1)[NH+](C)C ZINC001441858748 964753270 /nfs/dbraw/zinc/75/32/70/964753270.db2.gz VGOKIKTXFULQMN-GOEBONIOSA-N 2 0 291.439 1.930 10 0 CDAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CCc1ccccc1 ZINC001442056858 964850685 /nfs/dbraw/zinc/85/06/85/964850685.db2.gz WBZKPRDEVHRNLZ-HNNXBMFYSA-N 2 0 289.423 1.419 10 0 CDAERP C[C@H](NC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C1=CC[N@H+](C)CC1 ZINC001556159942 965002547 /nfs/dbraw/zinc/00/25/47/965002547.db2.gz LNCPSLQQKNUCBF-CWRNSKLLSA-N 2 0 293.455 1.873 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CC)[NH2+]CCF ZINC001443935131 965673357 /nfs/dbraw/zinc/67/33/57/965673357.db2.gz SXBQSRZNZNGFEU-QWHCGFSZSA-N 2 0 273.396 1.315 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001444171383 965748884 /nfs/dbraw/zinc/74/88/84/965748884.db2.gz CVXUVLPYHSLVDY-KBUPBQIOSA-N 2 0 299.434 1.703 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC1CC1 ZINC001445401847 966187423 /nfs/dbraw/zinc/18/74/23/966187423.db2.gz JDLYYMVEJWGKEC-HIFRSBDPSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@H](C[NH2+]CC1CCCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001445481384 966206134 /nfs/dbraw/zinc/20/61/34/966206134.db2.gz NNLTYVIGEBSGQS-CYBMUJFWSA-N 2 0 279.428 1.367 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH2+]CC(C)C)[C@H](C)C1 ZINC001349486863 966363776 /nfs/dbraw/zinc/36/37/76/966363776.db2.gz IRFIBPATKDKRNI-ZIAGYGMSSA-N 2 0 269.433 1.421 10 0 CDAERP C[C@H](C[N@H+](C)CC1CCCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001445853933 966366118 /nfs/dbraw/zinc/36/61/18/966366118.db2.gz NSAYFJZSBFFHCM-CQSZACIVSA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)[NH+](C)CC(=O)N[C@H](C)C[N@H+](C)Cc1ccccn1 ZINC001445876781 966374473 /nfs/dbraw/zinc/37/44/73/966374473.db2.gz UOITVRMPOIRVIM-CQSZACIVSA-N 2 0 292.427 1.358 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+][C@H](C)COC)CC1 ZINC001446187387 966480342 /nfs/dbraw/zinc/48/03/42/966480342.db2.gz YXEHDHCJPNTNIU-KGLIPLIRSA-N 2 0 297.443 1.134 10 0 CDAERP CN(C(=O)CC[C@H]1CCC[N@@H+]1C)C1C[NH+](CC2CCC2)C1 ZINC001446376328 966529507 /nfs/dbraw/zinc/52/95/07/966529507.db2.gz ZBZOUZCLCGLKMM-OAHLLOKOSA-N 2 0 293.455 1.804 10 0 CDAERP CC(C)CC[N@H+](C)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001448049722 966978180 /nfs/dbraw/zinc/97/81/80/966978180.db2.gz ZASFAWARHYOFOF-CQSZACIVSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C1C[NH+](CC2CC2)C1 ZINC001448321329 967071992 /nfs/dbraw/zinc/07/19/92/967071992.db2.gz WACWNFDOCSNPSK-BBRMVZONSA-N 2 0 293.455 1.707 10 0 CDAERP CC[C@@H](C(=O)NCC12CCC[NH+](CCC1)C2)[NH+](C)C ZINC001352464162 967297279 /nfs/dbraw/zinc/29/72/79/967297279.db2.gz CIQHWSYEWWHECQ-ZDUSSCGKSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CC1CCC1 ZINC001480525381 968088035 /nfs/dbraw/zinc/08/80/35/968088035.db2.gz ILYDMWBJOWMUMH-YDHLFZDLSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]2C[NH2+]CCCF)C1 ZINC001569556271 1169922303 /nfs/dbraw/zinc/92/23/03/1169922303.db2.gz ZLKXRAAITLYAQX-KGLIPLIRSA-N 2 0 285.407 1.268 10 0 CDAERP C[N@@H+]1CCC[C@@](O)(CC(=O)Nc2ccc3c[nH+]cn3c2)C1 ZINC001456441634 968973717 /nfs/dbraw/zinc/97/37/17/968973717.db2.gz JRTCORWNIKQIEB-OAHLLOKOSA-N 2 0 288.351 1.120 10 0 CDAERP CC[NH+](CC)CC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001529415072 969038808 /nfs/dbraw/zinc/03/88/08/969038808.db2.gz LNCXUVZJBWBMSQ-CHWSQXEVSA-N 2 0 255.406 1.175 10 0 CDAERP CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C[NH+]1CCCC1 ZINC001472330983 970621375 /nfs/dbraw/zinc/62/13/75/970621375.db2.gz MTSGEKMRAHTURN-HZPDHXFCSA-N 2 0 293.455 1.804 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2C[NH2+]C/C=C\Cl)C1 ZINC001495578804 972543860 /nfs/dbraw/zinc/54/38/60/972543860.db2.gz YDXRWURKJMZJLQ-CRHJNNSXSA-N 2 0 299.846 1.661 10 0 CDAERP CC[C@H](C[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1)OC ZINC001371699257 972598545 /nfs/dbraw/zinc/59/85/45/972598545.db2.gz YDOLXNOGGPDNIX-HUUCEWRRSA-N 2 0 299.459 1.286 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001495785131 972631217 /nfs/dbraw/zinc/63/12/17/972631217.db2.gz IXAFIIQOOMJRSF-CHWSQXEVSA-N 2 0 285.407 1.172 10 0 CDAERP CC[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1cscn1)[NH+](C)C ZINC001371776269 972635401 /nfs/dbraw/zinc/63/54/01/972635401.db2.gz XVKWBFJSLYQVKS-WCQYABFASA-N 2 0 298.456 1.468 10 0 CDAERP C[NH+](C)CCC(=O)NCC[N@H+](C)C/C=C/c1ccccc1 ZINC001372160833 972823812 /nfs/dbraw/zinc/82/38/12/972823812.db2.gz PZGHIEKLSYJPFL-JXMROGBWSA-N 2 0 289.423 1.700 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001496230141 972849103 /nfs/dbraw/zinc/84/91/03/972849103.db2.gz QZAKMWNHPAJUCM-ZIAGYGMSSA-N 2 0 267.417 1.341 10 0 CDAERP CCC[N@H+](CCO)[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001417832116 973407358 /nfs/dbraw/zinc/40/73/58/973407358.db2.gz REMDZHSNPVIJRI-OAHLLOKOSA-N 2 0 299.459 1.024 10 0 CDAERP CCC[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001497579079 973419246 /nfs/dbraw/zinc/41/92/46/973419246.db2.gz LMMCWOPRLUDRBL-VBROQKIQSA-N 2 0 267.417 1.531 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001417935836 973482515 /nfs/dbraw/zinc/48/25/15/973482515.db2.gz QUKSNCMVLMPDOA-CHWSQXEVSA-N 2 0 285.407 1.409 10 0 CDAERP CCC(CC)C[NH+]1CC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001373549041 973487136 /nfs/dbraw/zinc/48/71/36/973487136.db2.gz CYIBREIYDLJPBO-HNNXBMFYSA-N 2 0 295.471 1.812 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCOC2CCC2)C1 ZINC001417957585 973498163 /nfs/dbraw/zinc/49/81/63/973498163.db2.gz ZIWFJMBUOGBHPW-AWEZNQCLSA-N 2 0 297.443 1.086 10 0 CDAERP CC(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001417981870 973513117 /nfs/dbraw/zinc/51/31/17/973513117.db2.gz ZJRIBIRFFRGBRH-YUELXQCFSA-N 2 0 281.444 1.467 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC=C(C)C ZINC001497825833 973538448 /nfs/dbraw/zinc/53/84/48/973538448.db2.gz XVGHDYZEGOSMJB-CABCVRRESA-N 2 0 281.444 1.921 10 0 CDAERP COCC[NH2+]C[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001497940275 973581474 /nfs/dbraw/zinc/58/14/74/973581474.db2.gz OOSMENAQIMMLGR-CYBMUJFWSA-N 2 0 293.411 1.103 10 0 CDAERP CCCC[NH2+]C[C@]1(C)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001569684175 1169965499 /nfs/dbraw/zinc/96/54/99/1169965499.db2.gz YEBDISHDDOZDRO-RDJZCZTQSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCF ZINC001418282150 973723009 /nfs/dbraw/zinc/72/30/09/973723009.db2.gz RCWWGFUGQHOJKJ-STQMWFEESA-N 2 0 273.396 1.313 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCF ZINC001418282147 973723339 /nfs/dbraw/zinc/72/33/39/973723339.db2.gz RCWWGFUGQHOJKJ-OLZOCXBDSA-N 2 0 273.396 1.313 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)CC[NH+]2CC[C@@H](F)C2)C1 ZINC001418426127 973818951 /nfs/dbraw/zinc/81/89/51/973818951.db2.gz FNLUNOCDOHSFMC-UONOGXRCSA-N 2 0 299.434 1.657 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CC[C@](C)(C[NH2+]CCF)C1 ZINC001569691380 1169967736 /nfs/dbraw/zinc/96/77/36/1169967736.db2.gz YLKUNQKSYKIMOC-OAHLLOKOSA-N 2 0 287.423 1.516 10 0 CDAERP Cc1nc(C)c(CN(C)C[C@H](C)NC(=O)CC[NH+](C)C)o1 ZINC001498397467 973883185 /nfs/dbraw/zinc/88/31/85/973883185.db2.gz QLYRTQFFMZPJIO-NSHDSACASA-N 2 0 296.415 1.180 10 0 CDAERP C[C@H]([NH2+]CC1CC1)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001374388543 973916848 /nfs/dbraw/zinc/91/68/48/973916848.db2.gz FPPGKHURCNEBTI-DZGCQCFKSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH2+]C[C@@H](C)O ZINC001498620947 974000698 /nfs/dbraw/zinc/00/06/98/974000698.db2.gz KVFXFGZMKBCLCB-CABCVRRESA-N 2 0 299.459 1.068 10 0 CDAERP CC(C)C[NH2+]C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001498851232 974077827 /nfs/dbraw/zinc/07/78/27/974077827.db2.gz VVNQREOTCFXVKE-HIFRSBDPSA-N 2 0 281.444 1.469 10 0 CDAERP CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]CCCOC ZINC001498897615 974098320 /nfs/dbraw/zinc/09/83/20/974098320.db2.gz HJFMBGXPDHMUOK-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@@H](C)C[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001375420483 974375699 /nfs/dbraw/zinc/37/56/99/974375699.db2.gz KGRALELKGNDQHR-UKRRQHHQSA-N 2 0 293.455 1.613 10 0 CDAERP CCCC[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001500258579 974411663 /nfs/dbraw/zinc/41/16/63/974411663.db2.gz VCAUCIBNWQLLBG-ZBFHGGJFSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001500383830 974429816 /nfs/dbraw/zinc/42/98/16/974429816.db2.gz HAVIYNFIAGYHAZ-BBRMVZONSA-N 2 0 292.427 1.825 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@](C)(NC(=O)Cc2cncn2C)C1 ZINC001375845029 974494573 /nfs/dbraw/zinc/49/45/73/974494573.db2.gz DCYVJAMPXMXNEM-MRXNPFEDSA-N 2 0 292.427 1.589 10 0 CDAERP CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001376022026 974535628 /nfs/dbraw/zinc/53/56/28/974535628.db2.gz NFYCAAVERYFNQB-CABCVRRESA-N 2 0 281.444 1.851 10 0 CDAERP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C[NH2+]C/C=C/Cl ZINC001501152614 974542829 /nfs/dbraw/zinc/54/28/29/974542829.db2.gz ANJWXLLTJDVTRL-WEHDMVHDSA-N 2 0 299.846 1.519 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC001376153159 974587342 /nfs/dbraw/zinc/58/73/42/974587342.db2.gz PZLIJEQLKWGXFG-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001501648249 974615947 /nfs/dbraw/zinc/61/59/47/974615947.db2.gz WMOAIMPKAUTCCV-HZPDHXFCSA-N 2 0 293.455 1.733 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@@H]([NH2+]CC1CCCC1)C1CC1 ZINC001376263568 974616436 /nfs/dbraw/zinc/61/64/36/974616436.db2.gz PELNMXMRTMAWRC-MRXNPFEDSA-N 2 0 293.455 1.757 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001376460583 974668416 /nfs/dbraw/zinc/66/84/16/974668416.db2.gz FUCUXOWOKMCKRN-XGFWRYKXSA-N 2 0 285.407 1.312 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC[C@@H](C)F)C1)[NH+](C)C ZINC001376473244 974670364 /nfs/dbraw/zinc/67/03/64/974670364.db2.gz ADHMAXGSNKILGI-NDBYEHHHSA-N 2 0 273.396 1.312 10 0 CDAERP CCCC[N@@H+]1CCC[C@](CO)(NC(=O)CCC[NH+](C)C)C1 ZINC001376486238 974673678 /nfs/dbraw/zinc/67/36/78/974673678.db2.gz ZAIWSPAULITNOE-INIZCTEOSA-N 2 0 299.459 1.071 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCC(F)(F)F)C2)C1 ZINC001376502799 974676916 /nfs/dbraw/zinc/67/69/16/974676916.db2.gz PBYXPTYKUIAVNN-MXWKQRLJSA-N 2 0 293.333 1.127 10 0 CDAERP COC[C@H](C)[NH2+]CC[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001376558526 974687152 /nfs/dbraw/zinc/68/71/52/974687152.db2.gz DDZWCLMIZMHGNF-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1CCC[NH+](CCF)CC1 ZINC001502125478 974700620 /nfs/dbraw/zinc/70/06/20/974700620.db2.gz DETASQURKLLLOG-GJZGRUSLSA-N 2 0 299.434 1.801 10 0 CDAERP CCCC[C@H](C[NH2+]CC1CC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001506554385 975178856 /nfs/dbraw/zinc/17/88/56/975178856.db2.gz WJOFRAQEFQDYSR-LSDHHAIUSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)[NH+]1CC([C@@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001506655936 975197780 /nfs/dbraw/zinc/19/77/80/975197780.db2.gz PKJZLVJOAGVXQK-QWHCGFSZSA-N 2 0 267.417 1.173 10 0 CDAERP Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001378075231 975230948 /nfs/dbraw/zinc/23/09/48/975230948.db2.gz JIZNVIMUKJGFNJ-INIZCTEOSA-N 2 0 289.423 1.637 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC(C)C)C1)[NH+](CC)CC ZINC001378073242 975231009 /nfs/dbraw/zinc/23/10/09/975231009.db2.gz OHWBBOKLRLEDHO-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@H](CNC(=O)C[C@H](C)n1ccnc1)[N@H+](C)CCCF ZINC001378146539 975262013 /nfs/dbraw/zinc/26/20/13/975262013.db2.gz UTVOTVIOPJLKDR-QWHCGFSZSA-N 2 0 284.379 1.630 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)[N@H+](C)CCC(F)(F)F)[NH+](C)C ZINC001378194828 975281132 /nfs/dbraw/zinc/28/11/32/975281132.db2.gz YAGURRCYEOTFKT-WDEREUQCSA-N 2 0 297.365 1.716 10 0 CDAERP CCCCCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001507152606 975356513 /nfs/dbraw/zinc/35/65/13/975356513.db2.gz DLDNBLLLNYMPME-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CCCCCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001507152609 975356785 /nfs/dbraw/zinc/35/67/85/975356785.db2.gz DLDNBLLLNYMPME-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP Cc1cnc([C@@H](C)[NH2+]C[C@H](C)CNC(=O)CC[NH+](C)C)o1 ZINC001378602447 975412030 /nfs/dbraw/zinc/41/20/30/975412030.db2.gz PJTOIBIPARDNQT-WCQYABFASA-N 2 0 296.415 1.338 10 0 CDAERP CC(C)[NH2+]C[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001378631655 975423458 /nfs/dbraw/zinc/42/34/58/975423458.db2.gz HMCTYHJQGCXINE-GJZGRUSLSA-N 2 0 283.460 1.857 10 0 CDAERP CCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001404585113 975427044 /nfs/dbraw/zinc/42/70/44/975427044.db2.gz HYRGPDJORAFBRB-GJZGRUSLSA-N 2 0 281.444 1.519 10 0 CDAERP COC[C@H](C)[N@@H+]1C[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001378653269 975428825 /nfs/dbraw/zinc/42/88/25/975428825.db2.gz KGLUFYVHYHSSIO-KBPBESRZSA-N 2 0 299.459 1.190 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C(C)C)[C@@H]2C1 ZINC001507362414 975430957 /nfs/dbraw/zinc/43/09/57/975430957.db2.gz GRGXERXRYIZBCY-XHSDSOJGSA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001378842937 975514570 /nfs/dbraw/zinc/51/45/70/975514570.db2.gz KYJJHADWLOKYTM-UONOGXRCSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccccn1)[NH+](C)C ZINC001401228011 975531794 /nfs/dbraw/zinc/53/17/94/975531794.db2.gz HPLPCNZIXGUGEB-DZGCQCFKSA-N 2 0 292.427 1.358 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC[N@@H+]1CCF ZINC001388771667 975587525 /nfs/dbraw/zinc/58/75/25/975587525.db2.gz MVUKVJPLHVEDFM-QLFBSQMISA-N 2 0 299.434 1.799 10 0 CDAERP CCCC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001388783712 975590393 /nfs/dbraw/zinc/59/03/93/975590393.db2.gz CCVWMLKAOVFRMO-KGLIPLIRSA-N 2 0 281.444 1.707 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC[C@@H](C)F)C1 ZINC001405080808 975618552 /nfs/dbraw/zinc/61/85/52/975618552.db2.gz VTSYAHNERZDPPV-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP CO[C@H](C)C[N@H+](C)CCN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001379065621 975633291 /nfs/dbraw/zinc/63/32/91/975633291.db2.gz PJJLSFWWUCVGRU-HUUCEWRRSA-N 2 0 299.459 1.286 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)[NH2+]CC1CCC1 ZINC001405260358 975692881 /nfs/dbraw/zinc/69/28/81/975692881.db2.gz SLCPKPHNCSWCTL-MGPQQGTHSA-N 2 0 290.411 1.798 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccccc1 ZINC001379333572 975773428 /nfs/dbraw/zinc/77/34/28/975773428.db2.gz VKOJNHCPAWJXSI-HNNXBMFYSA-N 2 0 291.439 1.963 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001401698388 975809177 /nfs/dbraw/zinc/80/91/77/975809177.db2.gz CPEVLSFGLXJITD-QWHCGFSZSA-N 2 0 287.423 1.703 10 0 CDAERP Cc1ncc(C[NH2+]C[C@H](C)CNC(=O)CC[NH+](C)C)s1 ZINC001405701209 975820270 /nfs/dbraw/zinc/82/02/70/975820270.db2.gz OZJSIXSMQYGEPA-NSHDSACASA-N 2 0 298.456 1.245 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001401714476 975825427 /nfs/dbraw/zinc/82/54/27/975825427.db2.gz VQWIERHTGPIOBD-KBPBESRZSA-N 2 0 299.459 1.238 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+]CC1CC(C)(C)C1 ZINC001379578288 975933308 /nfs/dbraw/zinc/93/33/08/975933308.db2.gz HMZDLSYVQANDMU-ZDUSSCGKSA-N 2 0 283.460 1.859 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@H](C[N@H+](C)CCF)C1)[NH+](C)C ZINC001389705477 975959180 /nfs/dbraw/zinc/95/91/80/975959180.db2.gz AEUISUNDNOSHIA-ZIAGYGMSSA-N 2 0 287.423 1.467 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001401884717 975975038 /nfs/dbraw/zinc/97/50/38/975975038.db2.gz AKVPNTMKCNDNAO-OAHLLOKOSA-N 2 0 281.444 1.707 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H]2C[N@H+](CCCF)CC[C@@H]21 ZINC001398596866 976066360 /nfs/dbraw/zinc/06/63/60/976066360.db2.gz UEUQPYGSEYBNDW-GJZGRUSLSA-N 2 0 299.434 1.611 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001389971215 976067648 /nfs/dbraw/zinc/06/76/48/976067648.db2.gz IZDUJEJZTLKOJC-REBRKWNGSA-N 2 0 297.418 1.313 10 0 CDAERP CN(CC[N@H+](C)CC[C@@H]1CCCO1)C(=O)C[NH+]1CCCC1 ZINC001406167568 976078687 /nfs/dbraw/zinc/07/86/87/976078687.db2.gz PUFQMBYACRRESC-HNNXBMFYSA-N 2 0 297.443 1.042 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001398668776 976099377 /nfs/dbraw/zinc/09/93/77/976099377.db2.gz WBXLJZSTWLSMOD-RFQIPJPRSA-N 2 0 285.407 1.313 10 0 CDAERP CC[C@H](F)C[N@@H+]1CCC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001390066719 976110971 /nfs/dbraw/zinc/11/09/71/976110971.db2.gz VLAIUOFFMKVDEK-CABCVRRESA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)CC[N@@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001402086505 976116225 /nfs/dbraw/zinc/11/62/25/976116225.db2.gz OBPROKIADDZOPZ-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001379898911 976120282 /nfs/dbraw/zinc/12/02/82/976120282.db2.gz YWKLWFUQDZZVGL-CZUORRHYSA-N 2 0 295.471 1.859 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1([NH2+]C/C=C\Cl)CC1 ZINC001380174186 976278664 /nfs/dbraw/zinc/27/86/64/976278664.db2.gz XUOAKHYSLTYZQN-VMBFAJSZSA-N 2 0 299.846 1.850 10 0 CDAERP C[C@@H](F)CC[NH2+][C@@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001399028019 976296263 /nfs/dbraw/zinc/29/62/63/976296263.db2.gz OTFADYTWVJFAKI-OLZOCXBDSA-N 2 0 289.439 1.807 10 0 CDAERP Cc1ccc(CC[NH2+][C@@H](C)CNC(=O)CC[NH+](C)C)cc1 ZINC001390464950 976308449 /nfs/dbraw/zinc/30/84/49/976308449.db2.gz FFEKFBVPTPITJB-HNNXBMFYSA-N 2 0 291.439 1.584 10 0 CDAERP Cc1ccc(C[NH2+][C@@H](C)CNC(=O)CC[NH+](C)C)cc1C ZINC001390467176 976313087 /nfs/dbraw/zinc/31/30/87/976313087.db2.gz LPDKTFVFFKKUBZ-HNNXBMFYSA-N 2 0 291.439 1.849 10 0 CDAERP CCC[NH+]1CCC2(CN(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001402495699 976315959 /nfs/dbraw/zinc/31/59/59/976315959.db2.gz NFNACOCJBZEKHV-UHFFFAOYSA-N 2 0 281.444 1.661 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001402600071 976389622 /nfs/dbraw/zinc/38/96/22/976389622.db2.gz WQECJNMLNNPEEM-GASCZTMLSA-N 2 0 293.455 1.898 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001380378213 976394545 /nfs/dbraw/zinc/39/45/45/976394545.db2.gz PDBALIIGFNHQBY-WBVHZDCISA-N 2 0 295.471 1.955 10 0 CDAERP CCC(CC)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001399255900 976398670 /nfs/dbraw/zinc/39/86/70/976398670.db2.gz TZCDMKCFVSYZPR-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001380392576 976406053 /nfs/dbraw/zinc/40/60/53/976406053.db2.gz DAHLRQKMBGNXPC-DOTOQJQBSA-N 2 0 293.455 1.565 10 0 CDAERP CC(C)[NH2+][C@@H](C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001399429244 976478905 /nfs/dbraw/zinc/47/89/05/976478905.db2.gz HPOWNTZXYUXMQC-LSDHHAIUSA-N 2 0 283.460 2.000 10 0 CDAERP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]CC1CC(C)(C)C1 ZINC001402971989 976633899 /nfs/dbraw/zinc/63/38/99/976633899.db2.gz BGEQICDKRHVXRK-CYBMUJFWSA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001381318585 976758083 /nfs/dbraw/zinc/75/80/83/976758083.db2.gz NXVOLATXPNSIHR-HUUCEWRRSA-N 2 0 281.444 1.517 10 0 CDAERP CCC[N@H+](C)CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001391360707 976835921 /nfs/dbraw/zinc/83/59/21/976835921.db2.gz LIRPEEBKPKIUSQ-UHFFFAOYSA-N 2 0 293.455 1.663 10 0 CDAERP CCCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCCF)C1 ZINC001400145829 976886853 /nfs/dbraw/zinc/88/68/53/976886853.db2.gz JZAIMKJVTNFXEL-GJZGRUSLSA-N 2 0 299.434 1.611 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[N@H+](CC2CCC2)CC1(C)C)[NH+](C)C ZINC001403351701 976902893 /nfs/dbraw/zinc/90/28/93/976902893.db2.gz AFDKSTWCCWZLQJ-CABCVRRESA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)CC[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001408085945 976907639 /nfs/dbraw/zinc/90/76/39/976907639.db2.gz GIGVPXZCGYHGDT-ZBFHGGJFSA-N 2 0 295.471 1.811 10 0 CDAERP C[C@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccon1 ZINC001403446908 976960220 /nfs/dbraw/zinc/96/02/20/976960220.db2.gz QHJHYUSTKZJLQN-CHWSQXEVSA-N 2 0 294.399 1.001 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001391593028 976982392 /nfs/dbraw/zinc/98/23/92/976982392.db2.gz BVIXGFOJWGSNAF-OAHLLOKOSA-N 2 0 295.471 1.953 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CC3CC3)C[C@H]2C1 ZINC001381929540 977085069 /nfs/dbraw/zinc/08/50/69/977085069.db2.gz MFZAZQSVWUAUHU-BZUAXINKSA-N 2 0 293.455 1.565 10 0 CDAERP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]C/C=C/Cl ZINC001382053437 977140730 /nfs/dbraw/zinc/14/07/30/977140730.db2.gz CTPQEMGJCIOUIH-BAEOLTKYSA-N 2 0 273.808 1.270 10 0 CDAERP COC[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001391945328 977158885 /nfs/dbraw/zinc/15/88/85/977158885.db2.gz ZCDPNSSWAOQTRS-ZIAGYGMSSA-N 2 0 299.459 1.238 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccccn1 ZINC001382168533 977200414 /nfs/dbraw/zinc/20/04/14/977200414.db2.gz TYAQEZNWFQDOAV-AWEZNQCLSA-N 2 0 292.427 1.358 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CCF)[NH+]1CCCC1 ZINC001382170726 977201234 /nfs/dbraw/zinc/20/12/34/977201234.db2.gz ZDPCFYYLWAAXNE-KGLIPLIRSA-N 2 0 287.423 1.513 10 0 CDAERP CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1(C)C ZINC001382368859 977266333 /nfs/dbraw/zinc/26/63/33/977266333.db2.gz MIOQYCPSXBNTLX-ZIAGYGMSSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)CC[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC001382374931 977266948 /nfs/dbraw/zinc/26/69/48/977266948.db2.gz FGQLXVPCGGKXFH-CABCVRRESA-N 2 0 295.471 1.811 10 0 CDAERP CC(C)N(CC[N@H+](C)CCO)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001403950470 977278509 /nfs/dbraw/zinc/27/85/09/977278509.db2.gz WTEQCOCZNQBNHX-GJZGRUSLSA-N 2 0 299.459 1.020 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1CC1CC(C)C1 ZINC001392873344 977633278 /nfs/dbraw/zinc/63/32/78/977633278.db2.gz HUPJUEVOVREWJN-NRXISQOPSA-N 2 0 281.444 1.563 10 0 CDAERP CC[NH+]1CCC(C)(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001393079219 977693894 /nfs/dbraw/zinc/69/38/94/977693894.db2.gz JGTIQFBQUFMVMI-OKILXGFUSA-N 2 0 281.444 1.850 10 0 CDAERP CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001394281026 978123399 /nfs/dbraw/zinc/12/33/99/978123399.db2.gz OLOBNAHWISOCRW-HUUCEWRRSA-N 2 0 295.471 1.953 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CCCCCF)C1 ZINC001674525592 1173957704 /nfs/dbraw/zinc/95/77/04/1173957704.db2.gz BLXQTAAOFMDEPD-NRXISQOPSA-N 2 0 299.434 1.705 10 0 CDAERP CC[NH2+]CC[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001570008066 1170058998 /nfs/dbraw/zinc/05/89/98/1170058998.db2.gz DHBMBEHOXHWMDE-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)(C(=O)NCC1([NH2+]CCCF)CCC1)[NH+]1CCCC1 ZINC001570113561 1170084292 /nfs/dbraw/zinc/08/42/92/1170084292.db2.gz ZWKIRNXHGVLGHG-UHFFFAOYSA-N 2 0 299.434 1.849 10 0 CDAERP CCCCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001571379992 1170395847 /nfs/dbraw/zinc/39/58/47/1170395847.db2.gz GVVXQSHXWDMDAS-KGLIPLIRSA-N 2 0 269.433 1.707 10 0 CDAERP CC[N@H+](C)CCN(C(=O)C[C@@H]1CC[NH+](C)C1)C(C)C ZINC001571615914 1170497217 /nfs/dbraw/zinc/49/72/17/1170497217.db2.gz JGHROTKZGYGSDO-AWEZNQCLSA-N 2 0 269.433 1.517 10 0 CDAERP C[C@@H]1CCC[N@H+](CCNC(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC000618555327 349480472 /nfs/dbraw/zinc/48/04/72/349480472.db2.gz UBBTWJQVSGZSLP-KGLIPLIRSA-N 2 0 282.432 1.112 10 0 CDAERP [NH3+]CC1(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000650713768 398156745 /nfs/dbraw/zinc/15/67/45/398156745.db2.gz BDFQNFVVMMKNCK-MGPQQGTHSA-N 3 0 251.418 1.626 10 0 CDAERP CC(C)C[N@H+](C)CCCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000650740630 398171673 /nfs/dbraw/zinc/17/16/73/398171673.db2.gz NNCJYMMVDONFNK-YESZJQIVSA-N 2 0 297.487 1.711 10 0 CDAERP C[C@H]([NH3+])[C@H](C)C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000228619696 398206166 /nfs/dbraw/zinc/20/61/66/398206166.db2.gz AXRKDRRZMRVGRL-CYDGBPFRSA-N 2 0 253.390 1.055 10 0 CDAERP CC[NH2+]Cc1ccccc1NC(=O)C1CC[NH2+]CC1 ZINC000237026504 342057779 /nfs/dbraw/zinc/05/77/79/342057779.db2.gz ZUJOODXMPRBVBH-UHFFFAOYSA-N 2 0 261.369 1.734 10 0 CDAERP CC1CC[NH+](CC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000617011340 342606379 /nfs/dbraw/zinc/60/63/79/342606379.db2.gz CFKYCXDILLUPBU-CQSZACIVSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000650877176 398251139 /nfs/dbraw/zinc/25/11/39/398251139.db2.gz ORHWVFUUVXQKOV-CQSZACIVSA-N 2 0 296.459 1.500 10 0 CDAERP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+]2C(C)(C)C)CC[N@@H+]1C ZINC000617005251 342602355 /nfs/dbraw/zinc/60/23/55/342602355.db2.gz DYGXIHYSYSMYCD-JHJVBQTASA-N 2 0 267.417 1.316 10 0 CDAERP C[C@H](O)CCC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000354742707 365657999 /nfs/dbraw/zinc/65/79/99/365657999.db2.gz YYCDESPMIIXXAT-ZQDZILKHSA-N 2 0 270.417 1.331 10 0 CDAERP CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000616620423 342119349 /nfs/dbraw/zinc/11/93/49/342119349.db2.gz JFPOKASOKCJUTB-LBPRGKRZSA-N 2 0 271.405 1.572 10 0 CDAERP [NH3+]CCN1CC[NH2+]C[C@@H]1c1ccc2ccncc2c1 ZINC000616635753 342121252 /nfs/dbraw/zinc/12/12/52/342121252.db2.gz GUUOTPWTKULDFS-OAHLLOKOSA-N 2 0 256.353 1.140 10 0 CDAERP O=C(CC[C@@H]1CCC[NH2+]C1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000621657998 342153320 /nfs/dbraw/zinc/15/33/20/342153320.db2.gz ZMAVNFMCCDZIOD-GOEBONIOSA-N 2 0 279.428 1.368 10 0 CDAERP CCC[N@H+](C)CC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000592871410 342742298 /nfs/dbraw/zinc/74/22/98/342742298.db2.gz ZMEZEXKLJBVEFV-UHFFFAOYSA-N 2 0 273.340 1.548 10 0 CDAERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccnc(C)n2)C1 ZINC000351684117 361862179 /nfs/dbraw/zinc/86/21/79/361862179.db2.gz FLRVGJPJPYJBCT-MRXNPFEDSA-N 2 0 292.427 1.718 10 0 CDAERP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2conc2C)C1 ZINC000351687226 361863104 /nfs/dbraw/zinc/86/31/04/361863104.db2.gz VFRFSMVLQTUKOR-HNNXBMFYSA-N 2 0 281.400 1.916 10 0 CDAERP CCOC(=O)CCCC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366489723 361889052 /nfs/dbraw/zinc/88/90/52/361889052.db2.gz MSRSPPXYXJZREK-OAHLLOKOSA-N 2 0 268.401 1.747 10 0 CDAERP C[NH+](C)C1CCN(CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000351686544 361895949 /nfs/dbraw/zinc/89/59/49/361895949.db2.gz RAUYVBDPPACFSB-HNNXBMFYSA-N 2 0 253.434 1.887 10 0 CDAERP C[NH2+]CCOCC[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000629392405 361909288 /nfs/dbraw/zinc/90/92/88/361909288.db2.gz NCOXXSXUXFKJMX-UHFFFAOYSA-N 2 0 299.459 1.239 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1cnc2ccc(Cl)cn12 ZINC000629399452 361935352 /nfs/dbraw/zinc/93/53/52/361935352.db2.gz GZUJPFQBIHTBAN-UHFFFAOYSA-N 2 0 282.775 1.443 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000629399361 361936079 /nfs/dbraw/zinc/93/60/79/361936079.db2.gz QWHSWKACRIYUSW-UHFFFAOYSA-N 2 0 274.368 1.532 10 0 CDAERP CCc1noc(C2CCC([NH2+]CCOCCC[NH3+])CC2)n1 ZINC000629400492 361937993 /nfs/dbraw/zinc/93/79/93/361937993.db2.gz ZHPVVYVFEXOPOG-UHFFFAOYSA-N 2 0 296.415 1.613 10 0 CDAERP [NH3+]CC1(CCNC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CC1 ZINC000652232428 539038726 /nfs/dbraw/zinc/03/87/26/539038726.db2.gz ZXXAYZUDPRZJNN-CQSZACIVSA-N 2 0 294.443 1.289 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000625864751 342226712 /nfs/dbraw/zinc/22/67/12/342226712.db2.gz FOYNUYJQGGSOPO-GXFFZTMASA-N 2 0 286.339 1.139 10 0 CDAERP [NH3+]CC1([C@@]2(O)CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000669377000 539072028 /nfs/dbraw/zinc/07/20/28/539072028.db2.gz DDXFSKZMKFBTNF-MRXNPFEDSA-N 2 0 260.381 1.752 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCOCCC[NH3+])C[C@@H]1C ZINC000600681145 342242136 /nfs/dbraw/zinc/24/21/36/342242136.db2.gz XNOQUGLGMTXHAO-MELADBBJSA-N 2 0 286.416 1.309 10 0 CDAERP CCN1CCO[C@H](C[NH2+][C@H](C)C2CC[NH+](C)CC2)C1 ZINC000252761210 539079550 /nfs/dbraw/zinc/07/95/50/539079550.db2.gz XKTFXAPJJTWELU-UKRRQHHQSA-N 2 0 269.433 1.027 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CC[NH2+]C1CC1 ZINC000092630183 342234470 /nfs/dbraw/zinc/23/44/70/342234470.db2.gz OOPPEVOOQWITAF-CYBMUJFWSA-N 2 0 253.390 1.071 10 0 CDAERP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CCCOC1 ZINC000290499388 539132266 /nfs/dbraw/zinc/13/22/66/539132266.db2.gz YCUJGZIIBZCEFO-HNNXBMFYSA-N 2 0 293.411 1.681 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](C)C1 ZINC000594693171 342942578 /nfs/dbraw/zinc/94/25/78/342942578.db2.gz MZQRDFSTJHQENV-KBPBESRZSA-N 2 0 267.417 1.319 10 0 CDAERP CCC[NH+]1CCC([NH2+][C@H](C)[C@@H]2C[C@H]2C(=O)OC)CC1 ZINC000594920213 342986603 /nfs/dbraw/zinc/98/66/03/342986603.db2.gz SXPDJQHUWQNIEL-KWCYVHTRSA-N 2 0 268.401 1.648 10 0 CDAERP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CCC1CC[NH+](C)CC1 ZINC000594920075 342986656 /nfs/dbraw/zinc/98/66/56/342986656.db2.gz MUSZBQNWWJNSJI-FPMFFAJLSA-N 2 0 268.401 1.506 10 0 CDAERP CSc1ccccc1C[C@H](C)[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000263312570 295684094 /nfs/dbraw/zinc/68/40/94/295684094.db2.gz YYRCLALZYVSTKK-YUTCNCBUSA-N 2 0 280.437 1.509 10 0 CDAERP COC(=O)C1(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)CC1 ZINC000595505775 343080118 /nfs/dbraw/zinc/08/01/18/343080118.db2.gz YDUOCBYKLCBYDR-AWEZNQCLSA-N 2 0 266.385 1.357 10 0 CDAERP CSCC[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000368335159 362098237 /nfs/dbraw/zinc/09/82/37/362098237.db2.gz YBJKJGQNOQJPDP-UHFFFAOYSA-N 2 0 285.501 1.699 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)Cc1ccccc1F ZINC000629530339 362158965 /nfs/dbraw/zinc/15/89/65/362158965.db2.gz DBIAIDOSZOQCRC-GFCCVEGCSA-N 2 0 254.349 1.582 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)C[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000089746452 282238678 /nfs/dbraw/zinc/23/86/78/282238678.db2.gz ZSPHRGXYDURINJ-UKRRQHHQSA-N 2 0 275.396 1.405 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000629531097 362160188 /nfs/dbraw/zinc/16/01/88/362160188.db2.gz ZXDYOQJKNYOXLO-SOUVJXGZSA-N 2 0 270.417 1.407 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)c1cnn(C(C)(C)C)c1C ZINC000629530922 362160509 /nfs/dbraw/zinc/16/05/09/362160509.db2.gz VEXFNRDTRLFXRZ-GFCCVEGCSA-N 2 0 282.432 1.833 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H]1CCCNc2ccccc21 ZINC000629530136 362161981 /nfs/dbraw/zinc/16/19/81/362161981.db2.gz WKQOBTNMZWCHPR-OAHLLOKOSA-N 2 0 263.385 1.759 10 0 CDAERP Cc1nc2ccccc2n1CCCNC(=O)C1C[NH2+]C1 ZINC000263255728 362401128 /nfs/dbraw/zinc/40/11/28/362401128.db2.gz FMJVJQGCGVLTBJ-UHFFFAOYSA-N 2 0 272.352 1.070 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000569697099 362445371 /nfs/dbraw/zinc/44/53/71/362445371.db2.gz IUODLLDYKMKFTE-LPWJVIDDSA-N 2 0 253.390 1.103 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000262667294 344696765 /nfs/dbraw/zinc/69/67/65/344696765.db2.gz KVBFLJSDKWHHSS-HZSPNIEDSA-N 2 0 267.417 1.495 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)C ZINC000537215167 282353964 /nfs/dbraw/zinc/35/39/64/282353964.db2.gz RNDMJXGSNWDHRB-ZDUSSCGKSA-N 2 0 255.406 1.271 10 0 CDAERP C[C@H](C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(F)cc1 ZINC000263286960 362568724 /nfs/dbraw/zinc/56/87/24/362568724.db2.gz VDKVGQICCSXCLO-QKCSRTOESA-N 2 0 252.333 1.099 10 0 CDAERP Cc1ccc(O)c(C[NH2+]CCCN(C)CC[NH+](C)C)n1 ZINC000623087972 345199904 /nfs/dbraw/zinc/19/99/04/345199904.db2.gz RBNWWXUVGCNKAP-UHFFFAOYSA-N 2 0 280.416 1.069 10 0 CDAERP C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000404959953 345335856 /nfs/dbraw/zinc/33/58/56/345335856.db2.gz PCIBECYXAQUBFJ-UPJWGTAASA-N 2 0 253.390 1.057 10 0 CDAERP CC(C)[N@H+](C)CC1CCN(C(=O)[C@@]2(C)CCC[NH2+]2)CC1 ZINC000079518399 362661254 /nfs/dbraw/zinc/66/12/54/362661254.db2.gz OHYAQQFRGSKBLF-MRXNPFEDSA-N 2 0 281.444 1.707 10 0 CDAERP CCC[N@H+](CCCC[C@](C)([NH3+])CO)CCN(C)C ZINC000085215086 178979114 /nfs/dbraw/zinc/97/91/14/178979114.db2.gz QCTZHFXOGXBXMA-AWEZNQCLSA-N 2 0 259.438 1.140 10 0 CDAERP C[N@@H+]1CC[C@@H](N[C@@H]2CC[NH+](C3CC3)C2)CC1(C)C ZINC000623403351 346169227 /nfs/dbraw/zinc/16/92/27/346169227.db2.gz SHXZXXIORXRTDD-CHWSQXEVSA-N 2 0 251.418 1.686 10 0 CDAERP C[C@@H](C[C@](C)(O)C[NH3+])[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000085299983 179009736 /nfs/dbraw/zinc/00/97/36/179009736.db2.gz AKRZZWFVMXZBMD-BPUTZDHNSA-N 2 0 262.397 1.964 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000085364024 179035304 /nfs/dbraw/zinc/03/53/04/179035304.db2.gz JBPRQVFGDQZSKE-ZIAGYGMSSA-N 2 0 265.401 1.247 10 0 CDAERP CC[NH+](CC)C1CCN(C(=O)[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000085369534 179039352 /nfs/dbraw/zinc/03/93/52/179039352.db2.gz PIJJNYCXEBVFGB-HUUCEWRRSA-N 2 0 281.444 1.837 10 0 CDAERP CC(C)[C@@H](CNC(=O)[C@@H]1CCC[C@@H]1[NH3+])[NH+]1CCCC1 ZINC000085371108 179041121 /nfs/dbraw/zinc/04/11/21/179041121.db2.gz FFOPROCXMCJGLT-HZSPNIEDSA-N 2 0 267.417 1.350 10 0 CDAERP CN(C)C(=O)CC[N@@H+]1CCCCC[C@H]1C1CC[NH2+]CC1 ZINC000085403833 179053060 /nfs/dbraw/zinc/05/30/60/179053060.db2.gz CGBSPGKTFWKDRM-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CCc1nc2c(n1CCC[NH+]1CCCC1)CC[NH2+]C2 ZINC000085572283 179096910 /nfs/dbraw/zinc/09/69/10/179096910.db2.gz WHFYSGMREXGDMB-UHFFFAOYSA-N 2 0 262.401 1.577 10 0 CDAERP CN1CC[NH2+]C[C@@H]1c1noc([C@H]2CCCCCC[C@@H]2[NH3+])n1 ZINC000263304154 362752244 /nfs/dbraw/zinc/75/22/44/362752244.db2.gz XMWZGMBWABDBTE-RWMBFGLXSA-N 2 0 293.415 1.411 10 0 CDAERP CC(C)[C@@H]1C[N@H+](CCCn2ccnc2)CCC[NH2+]1 ZINC000085608154 179101037 /nfs/dbraw/zinc/10/10/37/179101037.db2.gz FCRVMYZNGBTDGR-AWEZNQCLSA-N 2 0 250.390 1.593 10 0 CDAERP CC(C)[NH2+]CC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000227411689 346528476 /nfs/dbraw/zinc/52/84/76/346528476.db2.gz SGHOCDRTFUVIQT-STQMWFEESA-N 2 0 253.390 1.070 10 0 CDAERP C[NH+]1CCN(CCC[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000085630438 179107748 /nfs/dbraw/zinc/10/77/48/179107748.db2.gz QZHFZOYOYDBHFO-KFWWJZLASA-N 2 0 281.444 1.027 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCC[C@@H]2O)CC1(C)C ZINC000623428548 346582909 /nfs/dbraw/zinc/58/29/09/346582909.db2.gz OJBKUFZMSMVJHN-RDBSUJKOSA-N 2 0 254.418 2.000 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CCCO[C@@H]2CCOC2)CC1(C)C ZINC000623445162 346760999 /nfs/dbraw/zinc/76/09/99/346760999.db2.gz FOHAVSSRKDUUNX-ZIAGYGMSSA-N 2 0 270.417 1.644 10 0 CDAERP C[NH+](C)CCCN1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC000086127436 179235780 /nfs/dbraw/zinc/23/57/80/179235780.db2.gz RVVMOICPHXXYED-INIZCTEOSA-N 2 0 261.413 1.455 10 0 CDAERP C[C@H]1C[NH2+][C@@H](Cc2ccccc2)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086172118 179244522 /nfs/dbraw/zinc/24/45/22/179244522.db2.gz SOMYXSCOTCFKIS-RYQLBKOJSA-N 2 0 287.451 1.986 10 0 CDAERP CC[NH+]1CCC(CN2CC[NH2+][C@H](C3CC3)C2)CC1 ZINC000086145734 179238873 /nfs/dbraw/zinc/23/88/73/179238873.db2.gz RCGVREYJEBMKNN-HNNXBMFYSA-N 2 0 251.418 1.402 10 0 CDAERP CC(C)[C@@H]1CN(C[C@@H]2CC[N@@H+](C(C)C)C2)CC[NH2+]1 ZINC000086146510 179239108 /nfs/dbraw/zinc/23/91/08/179239108.db2.gz SQWVGELAUCBPBH-GJZGRUSLSA-N 2 0 253.434 1.647 10 0 CDAERP CC(C)[C@@H]1C[NH2+][C@@H](C2CC2)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086182566 179247999 /nfs/dbraw/zinc/24/79/99/179247999.db2.gz VYPPCMCAPKSMDW-IXDOHACOSA-N 2 0 277.456 1.789 10 0 CDAERP C[C@H]1C[NH2+]C2(CCCC2)CN1C[C@@H]1CCC[N@H+](C)C1 ZINC000086259260 179258397 /nfs/dbraw/zinc/25/83/97/179258397.db2.gz MXRQRVHHSDRGGL-LSDHHAIUSA-N 2 0 265.445 1.935 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](CO)C2)CC1(C)C ZINC000623551680 347628854 /nfs/dbraw/zinc/62/88/54/347628854.db2.gz CHBRWZSYBXVALT-MCIONIFRSA-N 2 0 254.418 2.000 10 0 CDAERP CON1CCC([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623553350 347629632 /nfs/dbraw/zinc/62/96/32/347629632.db2.gz QOSHVRDIKTVQGQ-CYBMUJFWSA-N 2 0 255.406 1.475 10 0 CDAERP C[NH2+]C[C@@H](c1ccccc1)N1CC[N@H+](C)C(C)(C)C1 ZINC000104132434 185903719 /nfs/dbraw/zinc/90/37/19/185903719.db2.gz APKZWVLVKKPIAH-HNNXBMFYSA-N 2 0 261.413 1.973 10 0 CDAERP CC[NH+](CC)C[C@@H]1CO[C@H](C[NH+](CC)CC)CO1 ZINC000048552882 348747989 /nfs/dbraw/zinc/74/79/89/348747989.db2.gz IWLXNTQVZJAVKA-ZIAGYGMSSA-N 2 0 258.406 1.454 10 0 CDAERP CC[N@H+](CCOC)C[C@@]1(C[NH2+]C(C)C)CCCOC1 ZINC000104326565 185969751 /nfs/dbraw/zinc/96/97/51/185969751.db2.gz TVBHGQMXVHLGPQ-HNNXBMFYSA-N 2 0 272.433 1.750 10 0 CDAERP Cc1ccc([C@@H]([NH3+])C(=O)N2CCC3(CC[NH2+]3)CC2)cc1 ZINC000333347861 362978198 /nfs/dbraw/zinc/97/81/98/362978198.db2.gz ZQWIODVVOBVAOO-CQSZACIVSA-N 2 0 273.380 1.349 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000333454996 362994340 /nfs/dbraw/zinc/99/43/40/362994340.db2.gz YBGZOCQRENOJCL-KFWWJZLASA-N 2 0 296.459 1.404 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000623889932 351320899 /nfs/dbraw/zinc/32/08/99/351320899.db2.gz ZPNWYDXBYAKQGR-QLFBSQMISA-N 2 0 269.433 1.170 10 0 CDAERP CCCN(CCC)C(=O)CN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584136 363038604 /nfs/dbraw/zinc/03/86/04/363038604.db2.gz LXXFNPPQYNDDDT-IYBDPMFKSA-N 2 0 281.444 1.566 10 0 CDAERP C[NH+](C)CCOc1cccc(C[NH2+]Cc2cn[nH]c2)c1 ZINC000624213881 351485474 /nfs/dbraw/zinc/48/54/74/351485474.db2.gz IISKAKCYKDBOOV-UHFFFAOYSA-N 2 0 274.368 1.640 10 0 CDAERP COCC[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@@H]1CCOC1 ZINC000414743699 366055321 /nfs/dbraw/zinc/05/53/21/366055321.db2.gz HOITTZAKUNIYKM-MGPQQGTHSA-N 2 0 256.390 1.112 10 0 CDAERP CCN(CC)[C@H](C)C[NH2+][C@H]1CCN(CCOC)C1 ZINC000355335606 366076749 /nfs/dbraw/zinc/07/67/49/366076749.db2.gz SYKDMYACLOGRHL-KGLIPLIRSA-N 2 0 257.422 1.027 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCN1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451892292 363173422 /nfs/dbraw/zinc/17/34/22/363173422.db2.gz PBNBSZQJTTXZGP-TUAOUCFPSA-N 2 0 280.334 1.716 10 0 CDAERP C[NH+]1CCC(C)(CNC(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000333888048 363206559 /nfs/dbraw/zinc/20/65/59/363206559.db2.gz XNIPVLHMHOAESI-ZDUSSCGKSA-N 2 0 282.432 1.160 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1nccc2ccccc21 ZINC000629654234 363256224 /nfs/dbraw/zinc/25/62/24/363256224.db2.gz OEXXPLLOPAYQQI-UHFFFAOYSA-N 2 0 273.380 1.903 10 0 CDAERP COCC[N@H+](C)CCC[NH2+][C@H](C)C1(OC)CCOCC1 ZINC000453088962 363284426 /nfs/dbraw/zinc/28/44/26/363284426.db2.gz QKXPIFDMPGHQKP-CQSZACIVSA-N 2 0 288.432 1.128 10 0 CDAERP O[C@H](C[NH2+]CC1CC[NH+](C2CC2)CC1)C(F)(F)F ZINC000644633674 366278555 /nfs/dbraw/zinc/27/85/55/366278555.db2.gz SNVWGHLPXPLZGN-LLVKDONJSA-N 2 0 266.307 1.374 10 0 CDAERP CC(C)(C)CC[NH+]1CCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000236607418 140240704 /nfs/dbraw/zinc/24/07/04/140240704.db2.gz OXYHQGIPFIBNOU-KBPBESRZSA-N 2 0 281.444 1.694 10 0 CDAERP CC[NH+](CC)CC(=O)N[C@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC000636090604 363479935 /nfs/dbraw/zinc/47/99/35/363479935.db2.gz LLKJDLGCSNMSDQ-NWDGAFQWSA-N 2 0 255.406 1.173 10 0 CDAERP C[C@H]1C[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000336397630 363501980 /nfs/dbraw/zinc/50/19/80/363501980.db2.gz AYJBOKNLQPGDHG-ZFWWWQNUSA-N 2 0 281.444 1.659 10 0 CDAERP CC1([NH+]2CCOCC2)CCC([N@@H+]2CC[C@H](CO)C2)CC1 ZINC000725262699 538455026 /nfs/dbraw/zinc/45/50/26/538455026.db2.gz MJFUWICLJYGHKD-FHERZECASA-N 2 0 282.428 1.334 10 0 CDAERP COc1cccc([C@@H](CNC(=O)CC[C@H](C)[NH3+])[NH+](C)C)c1 ZINC000070314658 356881646 /nfs/dbraw/zinc/88/16/46/356881646.db2.gz SZTOXILJHFJJOD-SWLSCSKDSA-N 2 0 293.411 1.542 10 0 CDAERP C[NH+]1CCC(CC[NH2+]C[C@@H](O)C[C@@](C)(O)C2CC2)CC1 ZINC000634703100 357373655 /nfs/dbraw/zinc/37/36/55/357373655.db2.gz PVFUOOHLBVSXRO-JKSUJKDBSA-N 2 0 284.444 1.220 10 0 CDAERP CC[N@H+](C)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C[NH3+] ZINC000058041361 357375565 /nfs/dbraw/zinc/37/55/65/357375565.db2.gz BAMZZXWXDXRNDZ-QWRGUYRKSA-N 2 0 257.378 1.132 10 0 CDAERP CCC[N@H+](C)C[C@H]1CC[NH+](CC2(O)CCSCC2)C1 ZINC000659982791 412660560 /nfs/dbraw/zinc/66/05/60/412660560.db2.gz XHNMOORLNNWJOT-CQSZACIVSA-N 2 0 286.485 1.908 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC[N@@H+]1C ZINC000634740613 358188536 /nfs/dbraw/zinc/18/85/36/358188536.db2.gz CGBRRPFZANEJID-LQKXBSAESA-N 2 0 279.428 1.175 10 0 CDAERP C[C@H]1C[C@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)CC[NH2+]1 ZINC000417931548 291138513 /nfs/dbraw/zinc/13/85/13/291138513.db2.gz LLSMJDZUYNBBHM-VXGQWTEUSA-N 2 0 296.459 1.547 10 0 CDAERP Clc1ncc(C[NH2+]CC2CC[NH2+]CC2)c(Cl)n1 ZINC000095070129 358671191 /nfs/dbraw/zinc/67/11/91/358671191.db2.gz UDBCQIVOSCGUMP-UHFFFAOYSA-N 2 0 275.183 1.873 10 0 CDAERP CCC[C@@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000236911434 358955216 /nfs/dbraw/zinc/95/52/16/358955216.db2.gz RJAKPZPHQLQYJZ-HZSPNIEDSA-N 2 0 267.417 1.588 10 0 CDAERP C[C@]1(C[NH+]2CCC(O[C@H]3CCOC3)CC2)CC[NH2+]C1 ZINC000261907076 359084837 /nfs/dbraw/zinc/08/48/37/359084837.db2.gz XHDLLBAYUAPDSZ-GJZGRUSLSA-N 2 0 268.401 1.256 10 0 CDAERP CC(C)N(C)C(=O)C1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261906028 359085007 /nfs/dbraw/zinc/08/50/07/359085007.db2.gz WYAJDHRCGQHVAI-INIZCTEOSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC[NH2+]1 ZINC000262324507 359157948 /nfs/dbraw/zinc/15/79/48/359157948.db2.gz DBJRUSZLAPOLCK-MELADBBJSA-N 2 0 283.460 1.857 10 0 CDAERP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262468780 359171666 /nfs/dbraw/zinc/17/16/66/359171666.db2.gz WRYWTZBUCWHHIT-XQLPTFJDSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@@H]1C[C@@H](C)N(C(=O)COC2CCC([NH3+])CC2)C[C@@H]1C[NH3+] ZINC000422536025 359641302 /nfs/dbraw/zinc/64/13/02/359641302.db2.gz DQWJVZUDHAEYBN-DYALKNRASA-N 2 0 297.443 1.105 10 0 CDAERP C[C@@H]1CCC[C@H]([NH2+][C@@H](C2CC2)[C@H]2CNCCO2)C1 ZINC000422705346 359650258 /nfs/dbraw/zinc/65/02/58/359650258.db2.gz RHRGFFDISYIEMA-BEAPCOKYSA-N 2 0 252.402 1.922 10 0 CDAERP C[C@H](CN[C@H](C1CC1)[C@@H]1C[NH2+]CCO1)[N@@H+]1CCC[C@@H](C)C1 ZINC000422866460 359663610 /nfs/dbraw/zinc/66/36/10/359663610.db2.gz QHDHBSCONHABTI-TXCZRRACSA-N 2 0 295.471 1.463 10 0 CDAERP COc1ccc([C@H](C)[NH2+][C@@H](C)C2C[NH2+]C2)cc1OC ZINC000422936724 359685446 /nfs/dbraw/zinc/68/54/46/359685446.db2.gz FWRQYMLNJQGVOE-QWRGUYRKSA-N 2 0 264.369 1.962 10 0 CDAERP COC[C@H]([NH2+][C@H](C)C[C@H]1COCCN1)c1ccccc1 ZINC000422958153 359716855 /nfs/dbraw/zinc/71/68/55/359716855.db2.gz WVHNCGWVUOGUCL-KBMXLJTQSA-N 2 0 278.396 1.731 10 0 CDAERP C(CC[NH2+][C@H](C1CC1)[C@H]1CNCCO1)CC[NH+]1CCCC1 ZINC000423131991 359752538 /nfs/dbraw/zinc/75/25/38/359752538.db2.gz IOHUYKXRDBCLMI-IAGOWNOFSA-N 2 0 295.471 1.609 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000423451002 359795543 /nfs/dbraw/zinc/79/55/43/359795543.db2.gz UGSOUNCSISKGKK-HNNXBMFYSA-N 2 0 277.412 1.888 10 0 CDAERP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCC[C@H]1CC(N)=O ZINC000348088790 359826087 /nfs/dbraw/zinc/82/60/87/359826087.db2.gz YSYQVRNTENADGO-STQMWFEESA-N 2 0 253.390 1.201 10 0 CDAERP COc1cccc([C@H](C)[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000261795432 359910546 /nfs/dbraw/zinc/91/05/46/359910546.db2.gz YEGLQGHLDDTGQC-GOEBONIOSA-N 2 0 289.423 1.736 10 0 CDAERP C[NH+](C)[C@@H]1CCN(C(=O)C[C@H]([NH3+])c2ccccc2)C1 ZINC000062972281 360037030 /nfs/dbraw/zinc/03/70/30/360037030.db2.gz OTZRNEMUXIWUGG-KGLIPLIRSA-N 2 0 261.369 1.239 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000237942391 360190169 /nfs/dbraw/zinc/19/01/69/360190169.db2.gz PRLPGJVGDMFGTF-BFHYXJOUSA-N 2 0 265.401 1.058 10 0 CDAERP C[C@@H]1C[NH2+]CCN1C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000335407679 360228425 /nfs/dbraw/zinc/22/84/25/360228425.db2.gz URJKCNHGWQKPJN-OLZOCXBDSA-N 2 0 253.390 1.071 10 0 CDAERP c1ccc2c(c1)CCC[C@H]([NH2+]CCCN1CC[NH2+]CC1)C2 ZINC000643496228 360234883 /nfs/dbraw/zinc/23/48/83/360234883.db2.gz CGRXCNSKPKZYIZ-SFHVURJKSA-N 2 0 287.451 1.819 10 0 CDAERP C[C@H](Cc1c[nH]cn1)C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000569621987 360322397 /nfs/dbraw/zinc/32/23/97/360322397.db2.gz UWXCTSBYHHMZIQ-BXUZGUMPSA-N 2 0 276.384 1.141 10 0 CDAERP O=C(CCC1CC[NH2+]CC1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000154516992 360362368 /nfs/dbraw/zinc/36/23/68/360362368.db2.gz NBFREUPBENETDD-PBWFPOADSA-N 2 0 265.401 1.165 10 0 CDAERP COc1ccc(C2([NH2+]CCC[NH3+])CCOCC2)cc1 ZINC000666652893 482841406 /nfs/dbraw/zinc/84/14/06/482841406.db2.gz BIDUKUACQRSGKT-UHFFFAOYSA-N 2 0 264.369 1.639 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000193320132 296017236 /nfs/dbraw/zinc/01/72/36/296017236.db2.gz JKAABZJIZXAIEN-KGLIPLIRSA-N 2 0 267.417 1.448 10 0 CDAERP C[NH+](C)C[C@H](c1ccc(O)cc1)C1(O)CC[NH2+]CC1 ZINC000034891782 360543484 /nfs/dbraw/zinc/54/34/84/360543484.db2.gz JYUWWTSYRNPXRT-CQSZACIVSA-N 2 0 264.369 1.152 10 0 CDAERP O[C@H](C[NH2+][C@H]1CC[C@H]1C1CCC1)C[NH+]1CCCC1 ZINC000337984841 360602618 /nfs/dbraw/zinc/60/26/18/360602618.db2.gz BKDDMPDNCJXIIE-ILXRZTDVSA-N 2 0 252.402 1.611 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+][C@@H]2CC[C@H]2C2CCC2)CC1 ZINC000337993436 360606548 /nfs/dbraw/zinc/60/65/48/360606548.db2.gz HHEWOXGADZHVIQ-UONOGXRCSA-N 2 0 252.402 1.611 10 0 CDAERP C[C@H](CNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000626934585 360654024 /nfs/dbraw/zinc/65/40/24/360654024.db2.gz JAMZFGNAADDZLL-TUVASFSCSA-N 2 0 296.459 1.547 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)NCC2([NH+](C)C)CCCC2)C[NH2+]1 ZINC000626920669 360638356 /nfs/dbraw/zinc/63/83/56/360638356.db2.gz IOXYTQSJMXCHOJ-OLZOCXBDSA-N 2 0 282.432 1.301 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)NCC2([NH+](C)C)CCCC2)C[NH2+]1 ZINC000626920668 360638745 /nfs/dbraw/zinc/63/87/45/360638745.db2.gz IOXYTQSJMXCHOJ-CHWSQXEVSA-N 2 0 282.432 1.301 10 0 CDAERP CC1CC([NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000335640885 360683035 /nfs/dbraw/zinc/68/30/35/360683035.db2.gz CMFSVVZBSDFAIK-UHFFFAOYSA-N 2 0 251.418 1.591 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000626947497 360687002 /nfs/dbraw/zinc/68/70/02/360687002.db2.gz ULHGSUCNAAUARK-BFHYXJOUSA-N 2 0 282.432 1.158 10 0 CDAERP CC(C)OCC[C@@H](O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429021151 360741628 /nfs/dbraw/zinc/74/16/28/360741628.db2.gz PLUAYJWQHPLOID-CABCVRRESA-N 2 0 270.417 1.190 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)C[N@@H+]1C1CC1 ZINC000246272688 360827745 /nfs/dbraw/zinc/82/77/45/360827745.db2.gz LXPBXTFRBORCCQ-KLUNEYRZSA-N 2 0 291.439 1.649 10 0 CDAERP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1cccc(-n2cnnn2)c1 ZINC000643524789 361070290 /nfs/dbraw/zinc/07/02/90/361070290.db2.gz HXUADJCJEKEYRL-XUJVJEKNSA-N 2 0 286.383 1.311 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000433902281 361276876 /nfs/dbraw/zinc/27/68/76/361276876.db2.gz BHSBRZSYYJBXJZ-GJZGRUSLSA-N 2 0 294.443 1.397 10 0 CDAERP COc1cccc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000339071010 361258756 /nfs/dbraw/zinc/25/87/56/361258756.db2.gz ONIHYFMUTLLCIG-HUUCEWRRSA-N 2 0 275.396 1.849 10 0 CDAERP CC[NH+](CC)CC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000628965782 361362580 /nfs/dbraw/zinc/36/25/80/361362580.db2.gz IABQBMYYHRSBOS-CQSZACIVSA-N 2 0 267.417 1.461 10 0 CDAERP CN(C(=O)CC[C@@H]1CCC[NH2+]C1)[C@H]1C[NH+]2CCC1CC2 ZINC000312476364 361499071 /nfs/dbraw/zinc/49/90/71/361499071.db2.gz XZGKBMQAXRWXBQ-ZFWWWQNUSA-N 2 0 279.428 1.319 10 0 CDAERP C[C@H](O)[C@H](NC[C@H](O)C[N@H+](C)C1CC1)c1ccccc1F ZINC000520583162 361544668 /nfs/dbraw/zinc/54/46/68/361544668.db2.gz JCRYSBBQZCFVJJ-RBOXIYTFSA-N 2 0 296.386 1.292 10 0 CDAERP CCC[C@@H]([NH3+])C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000262606611 361571365 /nfs/dbraw/zinc/57/13/65/361571365.db2.gz ZVVAZOIHBOHEPL-UONOGXRCSA-N 2 0 267.417 1.304 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@H]1CN1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000653829197 412726676 /nfs/dbraw/zinc/72/66/76/412726676.db2.gz CSAYYFWNXDBQIZ-HRCADAONSA-N 2 0 281.444 1.000 10 0 CDAERP CC(C)(CC[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)C1CC1 ZINC000406131989 482880555 /nfs/dbraw/zinc/88/05/55/482880555.db2.gz XMJMGTVZWSNFOU-OAHLLOKOSA-N 2 0 265.445 1.792 10 0 CDAERP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000394179509 364367865 /nfs/dbraw/zinc/36/78/65/364367865.db2.gz OEKHJGAVQDIUNH-NWDGAFQWSA-N 2 0 289.370 1.209 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NCCC1CC[NH+](C)CC1 ZINC000103305120 364611532 /nfs/dbraw/zinc/61/15/32/364611532.db2.gz RTUKSJFVTBOHCB-CQSZACIVSA-N 2 0 298.475 1.748 10 0 CDAERP CCN(CCO)CC[NH2+]C[C@H]1CC(C)=C[C@H](C)C1 ZINC000352909119 364632008 /nfs/dbraw/zinc/63/20/08/364632008.db2.gz YGNAUQGYDFFXCB-DZGCQCFKSA-N 2 0 254.418 1.883 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)N1CC[NH+](C)CC1 ZINC000353499422 365258779 /nfs/dbraw/zinc/25/87/79/365258779.db2.gz UETDRABFRAVGFN-TWMKSMIVSA-N 3 0 294.487 1.085 10 0 CDAERP CCSCC[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000273700360 365518018 /nfs/dbraw/zinc/51/80/18/365518018.db2.gz JGDKCWGXCIYOCE-UHFFFAOYSA-N 2 0 294.468 1.676 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000414698655 241334241 /nfs/dbraw/zinc/33/42/41/241334241.db2.gz XPJDYXRVUQRFIL-YVSFHVDLSA-N 2 0 297.487 1.933 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1=CC[NH+](C)CC1 ZINC000357952137 367327986 /nfs/dbraw/zinc/32/79/86/367327986.db2.gz ZNFOIVJVKKSRNB-HIFRSBDPSA-N 2 0 279.428 1.627 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCC[N@H+](C)CC(C)C ZINC000627108974 367456985 /nfs/dbraw/zinc/45/69/85/367456985.db2.gz PJANPXLKBWOMGV-UONOGXRCSA-N 2 0 284.448 1.404 10 0 CDAERP CCN(CCC[NH+](CC)CC)C(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000230712261 367532472 /nfs/dbraw/zinc/53/24/72/367532472.db2.gz RLJNBVXVGJWDAR-UONOGXRCSA-N 2 0 269.433 1.422 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC(CC[NH2+]C)CC1 ZINC000627159637 367587593 /nfs/dbraw/zinc/58/75/93/367587593.db2.gz SXHCDJYZPAKQOO-UONOGXRCSA-N 2 0 282.432 1.158 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000627159850 367587959 /nfs/dbraw/zinc/58/79/59/367587959.db2.gz VGPQZABTVGBVLH-FRRDWIJNSA-N 2 0 270.421 1.142 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000627164639 367597101 /nfs/dbraw/zinc/59/71/01/367597101.db2.gz GGRDBXKOAYMEGY-BYNSBNAKSA-N 2 0 294.443 1.253 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000416873417 242202373 /nfs/dbraw/zinc/20/23/73/242202373.db2.gz NQNFKMOZKINGER-KGLIPLIRSA-N 2 0 292.427 1.543 10 0 CDAERP C[C@H](C[NH3+])NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000416875245 242204457 /nfs/dbraw/zinc/20/44/57/242204457.db2.gz QNMHRIRFHJGPBE-CYBMUJFWSA-N 2 0 290.411 1.429 10 0 CDAERP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCCC[NH3+])C1 ZINC000417023795 242275999 /nfs/dbraw/zinc/27/59/99/242275999.db2.gz LSIOATHXDVXWHZ-CHWSQXEVSA-N 2 0 270.421 1.002 10 0 CDAERP CC(C)[NH2+]C1CCN(C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627199423 367688112 /nfs/dbraw/zinc/68/81/12/367688112.db2.gz XDMPAXDMUKAZNL-JSGCOSHPSA-N 2 0 282.432 1.299 10 0 CDAERP O[C@@H](C[NH2+]Cc1ccc2c[nH+]cn2c1)CC(F)(F)F ZINC000567043347 370863802 /nfs/dbraw/zinc/86/38/02/370863802.db2.gz RMTOGZZTNYWJRR-LLVKDONJSA-N 2 0 273.258 1.737 10 0 CDAERP CCN(CCC[NH+](CC)CC)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627242776 367810286 /nfs/dbraw/zinc/81/02/86/367810286.db2.gz UXPZVURZZUJPQS-UONOGXRCSA-N 2 0 284.448 1.500 10 0 CDAERP C[C@@H]1CCC[C@](CNC(=O)CCC2C[NH2+]C2)([NH+](C)C)C1 ZINC000638077861 368108948 /nfs/dbraw/zinc/10/89/48/368108948.db2.gz CAFOBWOOQUQMLC-CJNGLKHVSA-N 2 0 281.444 1.613 10 0 CDAERP CCC[NH2+]CCNCc1cn(-c2cc[nH+]cc2)nc1C ZINC000414867828 368221269 /nfs/dbraw/zinc/22/12/69/368221269.db2.gz JKSWQXQMGQFHQB-UHFFFAOYSA-N 2 0 273.384 1.665 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]([NH3+])CCC(C)C ZINC000638108660 368418510 /nfs/dbraw/zinc/41/85/10/368418510.db2.gz NIYBFIUYKNREFB-ZIAGYGMSSA-N 2 0 269.433 1.693 10 0 CDAERP [NH3+]CC[C@@H]1CCCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)C1 ZINC000418451485 243094239 /nfs/dbraw/zinc/09/42/39/243094239.db2.gz MRVYVPYALPNIMB-DZGCQCFKSA-N 2 0 290.411 1.457 10 0 CDAERP C[C@@]1(CNC(=O)NC[C@@H]([NH3+])c2ccccc2)CCC[NH2+]C1 ZINC000418456530 243101042 /nfs/dbraw/zinc/10/10/42/243101042.db2.gz TUAOXPVDMFUZAO-GDBMZVCRSA-N 2 0 290.411 1.375 10 0 CDAERP CC1(CNC(=O)NC[C@H]([NH3+])c2ccccc2)CC[NH2+]CC1 ZINC000418456869 243101856 /nfs/dbraw/zinc/10/18/56/243101856.db2.gz UOOUMPQMSXEOMM-AWEZNQCLSA-N 2 0 290.411 1.375 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)[C@@H](C)C1 ZINC000418552631 243206818 /nfs/dbraw/zinc/20/68/18/243206818.db2.gz MQAJOFKZQGLJJD-XQLPTFJDSA-N 2 0 296.459 1.356 10 0 CDAERP CN(CCC(=O)NC[C@H]1CCC[N@H+](C)C1)c1cc[nH+]cc1 ZINC000542785303 368821890 /nfs/dbraw/zinc/82/18/90/368821890.db2.gz NLKIGPJWSYHODX-CQSZACIVSA-N 2 0 290.411 1.366 10 0 CDAERP Cc1nccc(N2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000420358044 244137901 /nfs/dbraw/zinc/13/79/01/244137901.db2.gz IWMJIMMBXXXURF-HNNXBMFYSA-N 2 0 289.427 1.297 10 0 CDAERP CC(C)[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000367925710 369289782 /nfs/dbraw/zinc/28/97/82/369289782.db2.gz MQDPTICXBWMXFF-VNQPRFMTSA-N 2 0 266.429 1.952 10 0 CDAERP [NH3+][C@@H](c1cn(C[C@H]2CCC[NH2+]2)nn1)c1ccccc1 ZINC000630604811 369372552 /nfs/dbraw/zinc/37/25/52/369372552.db2.gz DBQUUUMCOKYWGM-TZMCWYRMSA-N 2 0 257.341 1.078 10 0 CDAERP CCC[NH2+]CCNC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000567383146 370974137 /nfs/dbraw/zinc/97/41/37/370974137.db2.gz MZVTYSALWFWVEF-OAHLLOKOSA-N 2 0 290.411 1.254 10 0 CDAERP C[C@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)C[NH+]1CCCCC1 ZINC000170832604 369679143 /nfs/dbraw/zinc/67/91/43/369679143.db2.gz LAXRRLHZAARJPT-CABCVRRESA-N 2 0 296.459 1.454 10 0 CDAERP CC(C)[NH+](CCNC(=O)NC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC000139315895 370069736 /nfs/dbraw/zinc/06/97/36/370069736.db2.gz OWMGWYVNSOEIMZ-AWEZNQCLSA-N 2 0 284.448 1.499 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NCCC1(C[NH3+])CC1 ZINC000652127606 412783050 /nfs/dbraw/zinc/78/30/50/412783050.db2.gz YQCMKVZICBAJFN-GFCCVEGCSA-N 2 0 270.421 1.145 10 0 CDAERP Cc1nc2c(c(N3CCN4CCOC[C@H]4C3)n1)CCCC2 ZINC000371808872 370410667 /nfs/dbraw/zinc/41/06/67/370410667.db2.gz LIVHFLIYCAVNED-CYBMUJFWSA-N 2 0 288.395 1.185 10 0 CDAERP CC(C)C[C@H](C[NH3+])NC(=O)NCC1([NH3+])CCCCCC1 ZINC000418285985 370514216 /nfs/dbraw/zinc/51/42/16/370514216.db2.gz QJRJJEFDXNLXGN-CYBMUJFWSA-N 2 0 284.448 1.711 10 0 CDAERP C[C@H](C[C@@H]1COCC[NH2+]1)NCC[N@H+](C)C1CCCCC1 ZINC000422698761 245156067 /nfs/dbraw/zinc/15/60/67/245156067.db2.gz AWFRXPCDCQRTQF-HUUCEWRRSA-N 2 0 283.460 1.608 10 0 CDAERP CC[C@H]1CCCCN1CC[NH2+][C@H](CCC[NH3+])COC ZINC000422738608 245197902 /nfs/dbraw/zinc/19/79/02/245197902.db2.gz YZYHMDSEGAKULW-CABCVRRESA-N 2 0 271.449 1.594 10 0 CDAERP CC[N@H+](C)C[C@H](O)C[NH2+][C@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000567624043 371071119 /nfs/dbraw/zinc/07/11/19/371071119.db2.gz CEEILWGMDAEECB-SQWLQELKSA-N 2 0 286.460 1.466 10 0 CDAERP Cc1nccnc1CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000340488216 371117014 /nfs/dbraw/zinc/11/70/14/371117014.db2.gz GEYAACYQKXVZPC-IMJJTQAJSA-N 2 0 274.412 1.790 10 0 CDAERP Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422812776 245288722 /nfs/dbraw/zinc/28/87/22/245288722.db2.gz WXLIFRQMXIYUNG-UKRRQHHQSA-N 2 0 264.417 1.687 10 0 CDAERP [NH3+]Cc1ccc(-c2noc(CC3(C[NH3+])CC3)n2)cc1 ZINC000567849914 371172536 /nfs/dbraw/zinc/17/25/36/371172536.db2.gz OHJBAZAEJIECKV-UHFFFAOYSA-N 2 0 258.325 1.477 10 0 CDAERP [NH3+]C1(CNC(=O)N2CCC[NH2+]CC2)CCCCCC1 ZINC000572825617 371312348 /nfs/dbraw/zinc/31/23/48/371312348.db2.gz WGIGTAAISBQXQZ-UHFFFAOYSA-N 2 0 268.405 1.043 10 0 CDAERP CCN1CC[C@H]([NH2+]Cc2ccc(C(=O)NC)cc2)C1 ZINC000336903378 371573634 /nfs/dbraw/zinc/57/36/34/371573634.db2.gz VDXZPOLXFCPBLZ-AWEZNQCLSA-N 2 0 261.369 1.230 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCC[NH+]2C)C1 ZINC000171191993 371717868 /nfs/dbraw/zinc/71/78/68/371717868.db2.gz RJWBLNMPYDTQST-KBPBESRZSA-N 2 0 282.432 1.112 10 0 CDAERP C[C@@H]1CN(C)C[C@H](C)N1C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000378027040 371799687 /nfs/dbraw/zinc/79/96/87/371799687.db2.gz NCTIOTOVJXEKBP-DVOMOZLQSA-N 2 0 299.434 1.750 10 0 CDAERP CN(C)c1ccncc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000296777078 371912859 /nfs/dbraw/zinc/91/28/59/371912859.db2.gz ANQKENXVCFZCML-YHWZYXNKSA-N 2 0 288.395 1.503 10 0 CDAERP [NH3+]CCC1CCN(C(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000580719489 372671496 /nfs/dbraw/zinc/67/14/96/372671496.db2.gz BKFZFDLUHWWHKR-UHFFFAOYSA-N 2 0 296.459 1.809 10 0 CDAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000261813353 284345267 /nfs/dbraw/zinc/34/52/67/284345267.db2.gz NOIIYRZDSGRPTF-BFHYXJOUSA-N 2 0 267.417 1.162 10 0 CDAERP OCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC2(CCC2)C1 ZINC000423086131 245554996 /nfs/dbraw/zinc/55/49/96/245554996.db2.gz LIWOAPYDAYUDMF-PBWFPOADSA-N 2 0 264.413 1.802 10 0 CDAERP C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)[C@H]1CC[NH2+]C1 ZINC000415099724 372832388 /nfs/dbraw/zinc/83/23/88/372832388.db2.gz HHAIACKQCQWCDQ-YHQUGGNUSA-N 2 0 250.386 1.532 10 0 CDAERP c1nc2c([nH]1)C[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)CC2 ZINC000353631913 372879704 /nfs/dbraw/zinc/87/97/04/372879704.db2.gz QYBPZMRWYXWAHX-UPJWGTAASA-N 2 0 260.385 1.483 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H](CO)C1CCCCC1 ZINC000395317120 373084540 /nfs/dbraw/zinc/08/45/40/373084540.db2.gz JQEUZEVPSZPEAJ-UONOGXRCSA-N 2 0 258.406 1.271 10 0 CDAERP C[C@H](CCNC(=O)N[C@H]1CCCC[NH2+]C1)[NH+]1CCCCC1 ZINC000333528541 205409828 /nfs/dbraw/zinc/40/98/28/205409828.db2.gz HPZUBWBKCYYFNJ-CABCVRRESA-N 2 0 296.459 1.692 10 0 CDAERP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000384255652 373169664 /nfs/dbraw/zinc/16/96/64/373169664.db2.gz OFQHMANPMAQYOA-ZFWWWQNUSA-N 2 0 281.444 1.707 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000645684727 373232473 /nfs/dbraw/zinc/23/24/73/373232473.db2.gz DVKWABMUAMLGOT-KBPBESRZSA-N 2 0 279.359 1.078 10 0 CDAERP C[N@H+](Cc1ccccc1)C1(CN[C@@H]2CC[NH2+]C2)CCC1 ZINC000386888770 373449046 /nfs/dbraw/zinc/44/90/46/373449046.db2.gz NGTLYTVUXWMPFF-MRXNPFEDSA-N 2 0 273.424 1.993 10 0 CDAERP CC[NH+](CC)CCCN1CCCC[C@@]1(C)C(N)=O ZINC000191838446 373561616 /nfs/dbraw/zinc/56/16/16/373561616.db2.gz SNCGBHSJTQVGQG-AWEZNQCLSA-N 2 0 255.406 1.448 10 0 CDAERP C[C@@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@H](C)[NH3+] ZINC000252880010 374184958 /nfs/dbraw/zinc/18/49/58/374184958.db2.gz YCOAWVSTYTYANQ-KTCIRNNBSA-N 2 0 253.390 1.101 10 0 CDAERP O=C1N(c2ccn3c[nH+]cc3c2)CCC12CC[NH2+]CC2 ZINC000584624165 374320290 /nfs/dbraw/zinc/32/02/90/374320290.db2.gz CZRXULNHBLUOCA-UHFFFAOYSA-N 2 0 270.336 1.441 10 0 CDAERP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@H](C)N3CC[NH+](C)CC3)C[C@H]2C1 ZINC000424311900 246435285 /nfs/dbraw/zinc/43/52/85/246435285.db2.gz LIJQBLCEETUICJ-ZOFXXKQRSA-N 2 0 295.471 1.416 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]CCn2cc(C)cn2)[C@H](C)C1 ZINC000123881437 374733386 /nfs/dbraw/zinc/73/33/86/374733386.db2.gz FWEVRUBRGXCOOB-KGLIPLIRSA-N 2 0 250.390 1.511 10 0 CDAERP [NH3+][C@H]1CC=C(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000638800695 374816573 /nfs/dbraw/zinc/81/65/73/374816573.db2.gz OQSNXUWJOABYCL-RDJZCZTQSA-N 2 0 299.418 1.672 10 0 CDAERP Cn1cnc(C[NH+]2CCC(CCC[NH+](C)C)CC2)c1 ZINC000660159584 412829517 /nfs/dbraw/zinc/82/95/17/412829517.db2.gz VLXHGARFRDGTAS-UHFFFAOYSA-N 2 0 264.417 1.974 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000417169645 375737048 /nfs/dbraw/zinc/73/70/48/375737048.db2.gz HXPXGWCUQPGCHQ-COPLHBTASA-N 2 0 296.390 1.463 10 0 CDAERP C[C@H](C[NH3+])N(C)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000417182466 375737777 /nfs/dbraw/zinc/73/77/77/375737777.db2.gz JEQIUFVQZDAJSZ-HIFRSBDPSA-N 2 0 292.427 1.148 10 0 CDAERP C[C@H](CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000417314411 375767054 /nfs/dbraw/zinc/76/70/54/375767054.db2.gz REXASKVAUCMNNE-RRFJBIMHSA-N 2 0 296.459 1.404 10 0 CDAERP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(C)ncn2)C1 ZINC000428205356 247258794 /nfs/dbraw/zinc/25/87/94/247258794.db2.gz HPISRBUWJJTBLP-INIZCTEOSA-N 2 0 292.427 1.718 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000638975769 376321751 /nfs/dbraw/zinc/32/17/51/376321751.db2.gz PNMMPJDWKJHGFZ-NWDGAFQWSA-N 2 0 271.380 1.019 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000638976099 376323000 /nfs/dbraw/zinc/32/30/00/376323000.db2.gz UBASFNXIPZJPQY-STQMWFEESA-N 2 0 267.417 1.447 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000638979575 376343418 /nfs/dbraw/zinc/34/34/18/376343418.db2.gz FRQINOKVFOJDCZ-UONOGXRCSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC[N@@H+]1C ZINC000631475753 376290817 /nfs/dbraw/zinc/29/08/17/376290817.db2.gz MFPAARAKFOHOKC-HZSPNIEDSA-N 2 0 283.460 1.809 10 0 CDAERP C[C@H]1C[N@H+](C)C[C@@H]1NC1CC([NH+]2CCCCC2)C1 ZINC000334614880 376553826 /nfs/dbraw/zinc/55/38/26/376553826.db2.gz WKQNTDGUEYYZTK-PPWQZUPISA-N 2 0 251.418 1.543 10 0 CDAERP Cc1cc(C[C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)[nH]n1 ZINC000246519625 376937558 /nfs/dbraw/zinc/93/75/58/376937558.db2.gz UOOFNIJGGGTIDS-HTTKSJEASA-N 2 0 264.417 1.967 10 0 CDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H]2CCCO2)CC1 ZINC000247079573 377046541 /nfs/dbraw/zinc/04/65/41/377046541.db2.gz GYDKRGLCWSDWDY-DZGCQCFKSA-N 2 0 270.417 1.190 10 0 CDAERP CS[C@H]1CC[C@@H]1[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000425387781 376992930 /nfs/dbraw/zinc/99/29/30/376992930.db2.gz VSDDGJAABFWISL-KBPBESRZSA-N 2 0 299.484 1.462 10 0 CDAERP CC[NH+](CC)[C@@H](C)CNC(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000247392788 377108775 /nfs/dbraw/zinc/10/87/75/377108775.db2.gz QJDKFQZUQPYLAW-GJZGRUSLSA-N 2 0 298.475 1.698 10 0 CDAERP C[NH+](C)CC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000247421032 377114845 /nfs/dbraw/zinc/11/48/45/377114845.db2.gz KMJJMLCFNOQNKS-DOMZBBRYSA-N 2 0 295.452 1.809 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000417444809 377152813 /nfs/dbraw/zinc/15/28/13/377152813.db2.gz DVGQGFCYURYIQJ-FRRDWIJNSA-N 2 0 270.421 1.014 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000171897779 377153695 /nfs/dbraw/zinc/15/36/95/377153695.db2.gz DRZGSFUIWUMYPG-HNNXBMFYSA-N 2 0 294.443 1.349 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(CC)CCC[NH+](C)C)CC[N@@H+]1C ZINC000632715191 377777198 /nfs/dbraw/zinc/77/71/98/377777198.db2.gz QWXACJIZOADAHU-UONOGXRCSA-N 2 0 269.433 1.517 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000632855030 377933234 /nfs/dbraw/zinc/93/32/34/377933234.db2.gz NNCGSDGCLQTOQB-CABCVRRESA-N 2 0 273.380 1.359 10 0 CDAERP CC(C)C[C@H]([NH3+])C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000094459842 378144358 /nfs/dbraw/zinc/14/43/58/378144358.db2.gz LWCGYJWPDMIOFU-XQQFMLRXSA-N 2 0 253.390 1.055 10 0 CDAERP OCC[NH+]1CCC(C[NH2+]CC2CCCCC2)CC1 ZINC000069596176 378381490 /nfs/dbraw/zinc/38/14/90/378381490.db2.gz NSEAOIRCZQAGSR-UHFFFAOYSA-N 2 0 254.418 1.861 10 0 CDAERP CN(CCC[NH+](C)C)CCNC(=O)C1(C(F)F)CCC1 ZINC000633618475 378601258 /nfs/dbraw/zinc/60/12/58/378601258.db2.gz QFSYDIDIPMEZAN-UHFFFAOYSA-N 2 0 291.386 1.422 10 0 CDAERP CC(C)[C@H](O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662324254 412893326 /nfs/dbraw/zinc/89/33/26/412893326.db2.gz STHRLBPUCXGMDR-ZIAGYGMSSA-N 2 0 258.406 1.046 10 0 CDAERP C[NH+](C)CCC[C@@H]1C[N@H+](CC[C@@H]2CCOC2)CCO1 ZINC000662325692 412896074 /nfs/dbraw/zinc/89/60/74/412896074.db2.gz IEOVWHLJDFXHCU-HUUCEWRRSA-N 2 0 270.417 1.456 10 0 CDAERP [NH3+]C1(CNC(=O)N[C@@H]2CCC[NH2+]CC2)CCCCCC1 ZINC000634047485 378987093 /nfs/dbraw/zinc/98/70/93/378987093.db2.gz SLYZKEQBTLJLEY-CYBMUJFWSA-N 2 0 282.432 1.479 10 0 CDAERP C[C@@]1(C(F)F)C[N@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000662335854 412904383 /nfs/dbraw/zinc/90/43/83/412904383.db2.gz SLAMFJFVKHYJPW-ZDUSSCGKSA-N 2 0 262.344 1.732 10 0 CDAERP CC1(C)CC[NH2+][C@@H]1C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000662397606 412960269 /nfs/dbraw/zinc/96/02/69/412960269.db2.gz IKQWTVMZUWCXLL-CQSZACIVSA-N 2 0 290.411 1.066 10 0 CDAERP CCC[C@@H]1C[NH2+]CCN1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655971048 412983009 /nfs/dbraw/zinc/98/30/09/412983009.db2.gz QTSZUVGBZFBUGO-MCIONIFRSA-N 2 0 282.432 1.110 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C1CC[NH+](C)CC1 ZINC001663105222 1172637188 /nfs/dbraw/zinc/63/71/88/1172637188.db2.gz RSGHSYFZLHHVTG-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CCCC[C@@H](C[NH3+])NC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662428967 413009318 /nfs/dbraw/zinc/00/93/18/413009318.db2.gz MCKRREXLNKYQGB-ZFWWWQNUSA-N 2 0 275.396 1.855 10 0 CDAERP C[C@H](CNC(=O)C[C@H]1[NH2+]Cc2ccccc21)[N@H+](C)C1CC1 ZINC000662441814 413023872 /nfs/dbraw/zinc/02/38/72/413023872.db2.gz NITKGGNJQPCFMV-MLGOLLRUSA-N 2 0 287.407 1.820 10 0 CDAERP CC(C)([NH3+])CCC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000648137619 390170982 /nfs/dbraw/zinc/17/09/82/390170982.db2.gz WGUATLMJYAEHKB-CQSZACIVSA-N 2 0 253.390 1.106 10 0 CDAERP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)CC[C@H](C)[NH3+] ZINC000517234852 390237441 /nfs/dbraw/zinc/23/74/41/390237441.db2.gz UXGVSEQSJMDRBF-NWDGAFQWSA-N 2 0 255.406 1.303 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)CC1 ZINC000646914237 390298326 /nfs/dbraw/zinc/29/83/26/390298326.db2.gz SPFBWNLDJURRAL-GJZGRUSLSA-N 2 0 279.428 1.269 10 0 CDAERP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000646927209 390305765 /nfs/dbraw/zinc/30/57/65/390305765.db2.gz GKMGDYWKTLKBNH-FZMZJTMJSA-N 2 0 270.336 1.110 10 0 CDAERP C[C@@]1(C[NH+]2CCC([C@H]3CCOC3)CC2)CC[NH2+]C1 ZINC000647539104 390686307 /nfs/dbraw/zinc/68/63/07/390686307.db2.gz WWSVEKVBSOBEFE-LSDHHAIUSA-N 2 0 252.402 1.735 10 0 CDAERP CC[N@@H+]1CCN(C(=O)CC[C@H]2CCCC[NH+]2C)[C@@H](C)C1 ZINC000359605079 390936363 /nfs/dbraw/zinc/93/63/63/390936363.db2.gz XHFOGCSZMSUIML-LSDHHAIUSA-N 2 0 281.444 1.804 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H](C[NH3+])C1CC1)[NH+]1CCCCC1 ZINC000159193946 390939050 /nfs/dbraw/zinc/93/90/50/390939050.db2.gz DXNLRHLPGSZTQH-KGLIPLIRSA-N 2 0 267.417 1.350 10 0 CDAERP C[C@@H]1C[N@H+](C)C[C@H]1NC1CC([NH+]2CCCCC2)C1 ZINC000334614883 390943995 /nfs/dbraw/zinc/94/39/95/390943995.db2.gz WKQNTDGUEYYZTK-XSCHDIRWSA-N 2 0 251.418 1.543 10 0 CDAERP C[C@H]([NH3+])[C@@H]1CN(Cc2cccc3c2NCC3)CCO1 ZINC000647506743 390974610 /nfs/dbraw/zinc/97/46/10/390974610.db2.gz BKQMEVQETXGTPK-FZMZJTMJSA-N 2 0 261.369 1.203 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2=CCCOC2)[C@H]2CCC[C@H]21 ZINC000367904949 391007283 /nfs/dbraw/zinc/00/72/83/391007283.db2.gz SMDIDXHFYSLWSE-QLFBSQMISA-N 2 0 250.386 1.796 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000417946691 391007882 /nfs/dbraw/zinc/00/78/82/391007882.db2.gz ZFJZFURMTBFRNN-OOJKYFRXSA-N 2 0 296.459 1.533 10 0 CDAERP CN(CCC[N@H+](C)C[C@H](O)C1CCCCC1)CC[NH+](C)C ZINC000344026384 391097258 /nfs/dbraw/zinc/09/72/58/391097258.db2.gz JLLORIMCTASRPC-KRWDZBQOSA-N 2 0 299.503 1.743 10 0 CDAERP C[NH+](C)C[C@H](NC(=O)NCCC[NH3+])c1ccc(Cl)cc1 ZINC000418306704 391294939 /nfs/dbraw/zinc/29/49/39/391294939.db2.gz BTOWJALQXBMTFW-ZDUSSCGKSA-N 2 0 298.818 1.591 10 0 CDAERP CCC(=O)N[C@@H]1CCC[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414689711 391344164 /nfs/dbraw/zinc/34/41/64/391344164.db2.gz GOGMGPUATVSBHR-HZSPNIEDSA-N 2 0 267.417 1.365 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[C@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000418344522 391349822 /nfs/dbraw/zinc/34/98/22/391349822.db2.gz SAAWAVVLCAQCNJ-ZNMIVQPWSA-N 2 0 296.459 1.358 10 0 CDAERP CCN1CC[NH+](CCCC[NH2+][C@H]2CC[C@@H]2SC)CC1 ZINC000425348895 391473418 /nfs/dbraw/zinc/47/34/18/391473418.db2.gz DWGQXRMTIBIUHT-GJZGRUSLSA-N 2 0 285.501 1.888 10 0 CDAERP C[C@@H](Nc1cnn(-c2cc[nH+]cc2)c1)[C@@H]1CCC[NH2+]1 ZINC000643469463 391479740 /nfs/dbraw/zinc/47/97/40/391479740.db2.gz XIRDHHBKWHURKK-RISCZKNCSA-N 2 0 257.341 1.820 10 0 CDAERP CCC([NH3+])(CC)CNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000417817620 391484681 /nfs/dbraw/zinc/48/46/81/391484681.db2.gz RNTFZLKRZFSMCL-LLVKDONJSA-N 2 0 255.406 1.398 10 0 CDAERP CCc1ccc(C[N@H+](C)CCCN(C)CC[NH+](C)C)nc1 ZINC000411738066 391517150 /nfs/dbraw/zinc/51/71/50/391517150.db2.gz RWXKCYZCEAWRLZ-UHFFFAOYSA-N 2 0 292.471 1.959 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000418712099 391531929 /nfs/dbraw/zinc/53/19/29/391531929.db2.gz WTCJBPYCVXCZIV-RWMBFGLXSA-N 2 0 270.421 1.238 10 0 CDAERP C[C@@]1(F)C[NH2+]CCN(CCCC2CC[NH2+]CC2)C1 ZINC000647982036 391539647 /nfs/dbraw/zinc/53/96/47/391539647.db2.gz SPYUNRDNFQJGCM-CQSZACIVSA-N 2 0 257.397 1.400 10 0 CDAERP COC[C@H](C)C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000527365943 391654695 /nfs/dbraw/zinc/65/46/95/391654695.db2.gz YEKHWELMLALVEC-CYBMUJFWSA-N 2 0 258.406 1.312 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)C1 ZINC000417554319 391654824 /nfs/dbraw/zinc/65/48/24/391654824.db2.gz WDPQPORIVIPANE-RBSFLKMASA-N 2 0 296.459 1.404 10 0 CDAERP COc1cc(C)c(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)c(C)n1 ZINC000415028679 391729539 /nfs/dbraw/zinc/72/95/39/391729539.db2.gz CYSISAWFZDJDTH-STQMWFEESA-N 2 0 263.385 1.924 10 0 CDAERP CC[C@H]([NH3+])CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000417939139 391736198 /nfs/dbraw/zinc/73/61/98/391736198.db2.gz KDRZUMSDKGBBJS-SOUVJXGZSA-N 2 0 290.411 1.468 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000417707749 391762742 /nfs/dbraw/zinc/76/27/42/391762742.db2.gz VKWZOHMFUKULAP-RBSFLKMASA-N 2 0 296.459 1.548 10 0 CDAERP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)NC1CC[NH+](C)CC1 ZINC000334589713 391903159 /nfs/dbraw/zinc/90/31/59/391903159.db2.gz NSSDFASBHJDWQN-DZGCQCFKSA-N 2 0 294.443 1.349 10 0 CDAERP C[C@]1(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC[NH2+]C1 ZINC000649319242 392011059 /nfs/dbraw/zinc/01/10/59/392011059.db2.gz RTKNWCBCKMBIBG-AWEZNQCLSA-N 2 0 271.324 1.205 10 0 CDAERP C[NH+](C)C1CC(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000646107511 392018914 /nfs/dbraw/zinc/01/89/14/392018914.db2.gz QEBXHIYAQAELLG-PESDSKBTSA-N 2 0 279.428 1.602 10 0 CDAERP Cn1cc([C@@H]2CC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)cn1 ZINC000163043492 392020152 /nfs/dbraw/zinc/02/01/52/392020152.db2.gz XXRRRWGNMJRYHK-HIFRSBDPSA-N 2 0 262.401 1.694 10 0 CDAERP C[N@H+](Cc1ccccc1)[C@@H](CN[C@H]1CC[NH2+]C1)C1CC1 ZINC000423067393 392312438 /nfs/dbraw/zinc/31/24/38/392312438.db2.gz ZHPVABCJITUWBG-IRXDYDNUSA-N 2 0 273.424 1.849 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000423039164 392293848 /nfs/dbraw/zinc/29/38/48/392293848.db2.gz DUBDTCVITNIDQG-OAGGEKHMSA-N 3 0 297.487 1.983 10 0 CDAERP C[C@@H]([NH2+]CCN1CCc2c(Cl)cccc2C1)C1C[NH2+]C1 ZINC000423059886 392306491 /nfs/dbraw/zinc/30/64/91/392306491.db2.gz NBQPJUZEUNLFET-GFCCVEGCSA-N 2 0 293.842 1.896 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H](CO)Cc1ccc(F)cc1 ZINC000423081961 392327361 /nfs/dbraw/zinc/32/73/61/392327361.db2.gz WAEVDNDDZPHBRB-HUUCEWRRSA-N 2 0 284.375 1.073 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000629528500 392384784 /nfs/dbraw/zinc/38/47/84/392384784.db2.gz AQVJKJGCUUMWFV-LBPRGKRZSA-N 2 0 264.369 1.603 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000629528485 392385175 /nfs/dbraw/zinc/38/51/75/392385175.db2.gz AETPGUSWBXFFJY-CYBMUJFWSA-N 2 0 289.383 1.154 10 0 CDAERP CC[C@@H]([NH2+]C1CCC(C[NH3+])CC1)[C@@H](O)C(F)F ZINC000423159717 392396857 /nfs/dbraw/zinc/39/68/57/392396857.db2.gz PWEBWYCQKDQDKT-JPPWEJMLSA-N 2 0 250.333 1.498 10 0 CDAERP C[C@@H](Cc1ccoc1)[NH2+]CCCN1CC[NH2+]CC1 ZINC000423190106 392430650 /nfs/dbraw/zinc/43/06/50/392430650.db2.gz RPRQHHQTIMODNX-ZDUSSCGKSA-N 2 0 251.374 1.096 10 0 CDAERP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1cc2c(s1)CCC2 ZINC000423206315 392443488 /nfs/dbraw/zinc/44/34/88/392443488.db2.gz QJFLQJXIUYBQCS-GFCCVEGCSA-N 2 0 279.453 1.793 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCC[NH+]2C)C[N@@H+]1C1CC1 ZINC000126796989 392588110 /nfs/dbraw/zinc/58/81/10/392588110.db2.gz IIXRJIGTSZPFFN-DYEKYZERSA-N 2 0 280.416 1.005 10 0 CDAERP C[C@H](Cc1ccoc1)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000449132155 392662818 /nfs/dbraw/zinc/66/28/18/392662818.db2.gz SFWNMLFDUGNKMW-LSDHHAIUSA-N 2 0 279.428 1.684 10 0 CDAERP CCC[C@H](C(=O)NCCC1CC[NH+](C)CC1)[NH+](C)C ZINC000129321410 392803856 /nfs/dbraw/zinc/80/38/56/392803856.db2.gz QZUIXJFBVBLJSF-CQSZACIVSA-N 2 0 269.433 1.565 10 0 CDAERP CC[N@H+](C)C[C@@H](O)CN1CCC[C@@H](C(F)(F)F)C1 ZINC000310932006 392849408 /nfs/dbraw/zinc/84/94/08/392849408.db2.gz UXHCLCHNJTZLHB-GHMZBOCLSA-N 2 0 268.323 1.573 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)[C@H]1C ZINC000494890116 393122424 /nfs/dbraw/zinc/12/24/24/393122424.db2.gz DNJLDQDJHZDTAA-IJEWVQPXSA-N 2 0 288.439 1.968 10 0 CDAERP CCc1nccn1[C@H](C)CC(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000648795498 393364109 /nfs/dbraw/zinc/36/41/09/393364109.db2.gz MZRAPEFGPDFVRB-ZIAGYGMSSA-N 2 0 292.427 1.949 10 0 CDAERP C[C@@H](C[NH2+][C@H]1COC2(CCC2)C1)CN1CC[NH+](C)CC1 ZINC000657870841 413063716 /nfs/dbraw/zinc/06/37/16/413063716.db2.gz QSCYUTDQEWYSHJ-LSDHHAIUSA-N 2 0 281.444 1.171 10 0 CDAERP C([C@H]1CCOC1)[NH+]1CCC([NH2+][C@H]2COC3(CCC3)C2)CC1 ZINC000657892909 413074387 /nfs/dbraw/zinc/07/43/87/413074387.db2.gz UWAIGTPFCQXOMK-GDBMZVCRSA-N 2 0 294.439 1.789 10 0 CDAERP CCC[C@@H](C(=O)N(C)CC1([NH+](C)C)CCC1)[NH+](C)C ZINC000189513576 140117719 /nfs/dbraw/zinc/11/77/19/140117719.db2.gz BGGHFVFGRDUSFE-ZDUSSCGKSA-N 2 0 269.433 1.659 10 0 CDAERP CN(CC(=O)Nc1cc(F)cc(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000231670749 140217099 /nfs/dbraw/zinc/21/70/99/140217099.db2.gz XEIZUHNHENZROI-CQSZACIVSA-N 2 0 297.349 1.977 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C(N)=O)cc2)[C@@H](C)C1 ZINC000245416887 140266665 /nfs/dbraw/zinc/26/66/65/140266665.db2.gz FOBJKPVPCFGJAF-BBRMVZONSA-N 2 0 289.423 1.948 10 0 CDAERP Cc1ccc(O)c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000252848329 140326846 /nfs/dbraw/zinc/32/68/46/140326846.db2.gz GMXUZUJHXNSTSA-RWMBFGLXSA-N 2 0 261.369 1.655 10 0 CDAERP C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H](C)[NH3+] ZINC000261550038 140345369 /nfs/dbraw/zinc/34/53/69/140345369.db2.gz PDTJAULRIAYZNV-YCPHGPKFSA-N 2 0 289.423 1.703 10 0 CDAERP CC1(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CCC1 ZINC000261801036 140391609 /nfs/dbraw/zinc/39/16/09/140391609.db2.gz YTJLWTTWBJXBKJ-HUUCEWRRSA-N 2 0 293.455 1.757 10 0 CDAERP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261894127 140405082 /nfs/dbraw/zinc/40/50/82/140405082.db2.gz VNKRFMFQEWRMHF-LXTVHRRPSA-N 2 0 279.428 1.079 10 0 CDAERP C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCC1([NH3+])CCCCCC1 ZINC000334937075 140593801 /nfs/dbraw/zinc/59/38/01/140593801.db2.gz SJHDYKVBTOYHJT-QWHCGFSZSA-N 2 0 282.432 1.417 10 0 CDAERP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@H]2COC3(CCC3)C2)CC1 ZINC000657924829 413091563 /nfs/dbraw/zinc/09/15/63/413091563.db2.gz HZBGCKXZOVHKIC-BZUAXINKSA-N 2 0 294.439 1.665 10 0 CDAERP CC[C@@H]([NH2+]C)C(=O)N(CC[NH3+])CCc1ccccc1 ZINC000662562270 413129182 /nfs/dbraw/zinc/12/91/82/413129182.db2.gz IDYCOHJHFLAMIY-CQSZACIVSA-N 2 0 263.385 1.014 10 0 CDAERP O[C@H]1CCC[C@@H]1C[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000656263480 413145166 /nfs/dbraw/zinc/14/51/66/413145166.db2.gz JMGMYLOJHXNNHX-BMFZPTHFSA-N 2 0 282.428 1.380 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000662594836 413165818 /nfs/dbraw/zinc/16/58/18/413165818.db2.gz WODZRCUHTZDVST-OLZOCXBDSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)[C@H]1CCOC1 ZINC000658067181 413166702 /nfs/dbraw/zinc/16/67/02/413166702.db2.gz LJYIFQZVSGOVND-HOCLYGCPSA-N 2 0 296.455 1.892 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000417678761 397634205 /nfs/dbraw/zinc/63/42/05/397634205.db2.gz JXCLLQAODZFTLN-MGPQQGTHSA-N 2 0 298.475 1.650 10 0 CDAERP CC(C)C[C@H](C)[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685271 397897507 /nfs/dbraw/zinc/89/75/07/397897507.db2.gz VDAZGFBPAIAPSN-ZDUSSCGKSA-N 2 0 255.406 1.127 10 0 CDAERP C[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)C(C)(C)C ZINC000649861262 397999316 /nfs/dbraw/zinc/99/93/16/397999316.db2.gz RYXRGJNZJXETID-GFCCVEGCSA-N 2 0 281.444 1.754 10 0 CDAERP Cc1ccc(N2CCC[C@@H]([NH2+][C@H]3CCC[NH2+]CC3)C2)nn1 ZINC000333328291 292131270 /nfs/dbraw/zinc/13/12/70/292131270.db2.gz VTPWTVPARQZMRX-LSDHHAIUSA-N 2 0 289.427 1.486 10 0 CDAERP C[N@@H+]1CC[C@]2(CC[NH+](C[C@H](O)C3CCCCC3)C2)C1 ZINC000311878076 149221658 /nfs/dbraw/zinc/22/16/58/149221658.db2.gz XVMGOTVEUHVQOR-HOTGVXAUSA-N 2 0 266.429 1.955 10 0 CDAERP C[N@H+](C[C@H](O)CN1CCC(C[NH+]2CCCC2)CC1)C1CC1 ZINC000315028811 149257514 /nfs/dbraw/zinc/25/75/14/149257514.db2.gz WCRKFQJKPWKTFH-KRWDZBQOSA-N 2 0 295.471 1.249 10 0 CDAERP C[C@@H](C(=O)N1CC[NH+]2CCC1CC2)[C@H]([NH3+])c1ccccc1 ZINC000335037363 150213611 /nfs/dbraw/zinc/21/36/11/150213611.db2.gz ISLYXDFDMHYYJL-CJNGLKHVSA-N 2 0 287.407 1.629 10 0 CDAERP O=C(Nc1ccc2c(c1)C[NH2+]C2)[C@H]1C[C@]12CC[NH2+]C2 ZINC000335653844 150900497 /nfs/dbraw/zinc/90/04/97/150900497.db2.gz NAAZAFKWEOGNSM-HIFRSBDPSA-N 2 0 257.337 1.228 10 0 CDAERP [NH3+]CC1(CC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CCCCC1 ZINC000336177287 151338580 /nfs/dbraw/zinc/33/85/80/151338580.db2.gz ZSSKOQGOPYFRSR-OKILXGFUSA-N 2 0 279.428 1.639 10 0 CDAERP C[C@H]1C[N@H+](C)C[C@@H]1NCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000343565483 152226314 /nfs/dbraw/zinc/22/63/14/152226314.db2.gz HSNNTNHFFHCNNM-FZKCQIBNSA-N 2 0 267.461 1.894 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH+]1CCCC1 ZINC000343777856 152299465 /nfs/dbraw/zinc/29/94/65/152299465.db2.gz KFUIDNDBNVCXSY-OAHLLOKOSA-N 2 0 281.444 1.805 10 0 CDAERP CC[NH+](CC)CCCNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662660137 413266707 /nfs/dbraw/zinc/26/67/07/413266707.db2.gz YHAMFNIXGGOQIK-UHFFFAOYSA-N 2 0 267.417 1.509 10 0 CDAERP CC[C@H]1C[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C[C@@H]1O ZINC000346169676 153080457 /nfs/dbraw/zinc/08/04/57/153080457.db2.gz MOHQPTIXINXARO-BBRMVZONSA-N 2 0 286.379 1.778 10 0 CDAERP COC1CC([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)C1 ZINC000347419859 153522151 /nfs/dbraw/zinc/52/21/51/153522151.db2.gz SLAVCBGCJWQDJG-UHFFFAOYSA-N 2 0 295.471 1.704 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)C(C)C ZINC000349059161 154041205 /nfs/dbraw/zinc/04/12/05/154041205.db2.gz SDMURHDWDHPXNF-CYBMUJFWSA-N 2 0 255.406 1.317 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000349058206 154041794 /nfs/dbraw/zinc/04/17/94/154041794.db2.gz PUVUYAZYJOXOIT-KBPBESRZSA-N 2 0 269.433 1.707 10 0 CDAERP CCC[C@@H](C)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000349319542 154087862 /nfs/dbraw/zinc/08/78/62/154087862.db2.gz UHPZJZJELVELAN-OAHLLOKOSA-N 2 0 255.450 1.992 10 0 CDAERP C[C@H](CNC(=O)CC1([NH3+])CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000662679469 413298765 /nfs/dbraw/zinc/29/87/65/413298765.db2.gz OOKNRZJDPGLGQF-VXGBXAGGSA-N 2 0 253.390 1.104 10 0 CDAERP O=C(N1CCC[C@@H]([NH+]2CCCC2)C1)C1([NH2+]C2CC2)CCC1 ZINC000662694103 413326850 /nfs/dbraw/zinc/32/68/50/413326850.db2.gz WXLQQMLLZZDCSL-OAHLLOKOSA-N 2 0 291.439 1.748 10 0 CDAERP C[C@@H](CNC(=O)C1([NH2+]C2CC2)CCC1)[NH+]1CCC(C)CC1 ZINC000662701659 413345441 /nfs/dbraw/zinc/34/54/41/413345441.db2.gz RMSCLBVGFFRCGD-AWEZNQCLSA-N 2 0 293.455 1.898 10 0 CDAERP CC(C)([NH3+])c1cc(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)on1 ZINC000662720138 413380470 /nfs/dbraw/zinc/38/04/70/413380470.db2.gz SUELPUDZQHICQR-NSHDSACASA-N 2 0 292.383 1.083 10 0 CDAERP CC[N@H+](CCNC(=O)CC1CC[NH+](C)CC1)C(C)C ZINC000362770052 159234438 /nfs/dbraw/zinc/23/44/38/159234438.db2.gz PKRRTNXJLPUMKK-UHFFFAOYSA-N 2 0 269.433 1.565 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)C[NH2+]CC1CC1 ZINC000653210753 412140367 /nfs/dbraw/zinc/14/03/67/412140367.db2.gz HGBOABGMPBHBPL-UHFFFAOYSA-N 2 0 261.369 1.022 10 0 CDAERP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[C@H](C3CC3)[NH2+]1)C2 ZINC000653192402 412126281 /nfs/dbraw/zinc/12/62/81/412126281.db2.gz OHXULRCHYBYQNA-FQLMCAECSA-N 2 0 277.412 1.104 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000654659480 413551335 /nfs/dbraw/zinc/55/13/35/413551335.db2.gz FMSNCDQUGAHLNL-OTVXOJSOSA-N 2 0 294.443 1.206 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)C1 ZINC000654664143 413557005 /nfs/dbraw/zinc/55/70/05/413557005.db2.gz UALMJTWQQXGLDZ-BYNSBNAKSA-N 2 0 294.443 1.062 10 0 CDAERP C[C@@H](CCNC(=O)C1([NH3+])CC2(CCC2)C1)[NH+](C)C ZINC000662860657 413623179 /nfs/dbraw/zinc/62/31/79/413623179.db2.gz SVXJKUNGPLQHES-NSHDSACASA-N 2 0 253.390 1.104 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659364957 413749625 /nfs/dbraw/zinc/74/96/25/413749625.db2.gz CCXYWORYURKWCE-GLQYFDAESA-N 2 0 289.379 1.284 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000659439645 413821296 /nfs/dbraw/zinc/82/12/96/413821296.db2.gz YSIHIMHBWUEOLF-ZIAGYGMSSA-N 2 0 284.448 1.391 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000659440050 413821451 /nfs/dbraw/zinc/82/14/51/413821451.db2.gz PFMGVQHSCXQMFU-OAHLLOKOSA-N 2 0 296.459 1.533 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NCC[N@H+](C)C1CCCC1 ZINC000659450133 413837627 /nfs/dbraw/zinc/83/76/27/413837627.db2.gz HWALLCLPJITWNP-CQSZACIVSA-N 2 0 284.448 1.533 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659493375 413884589 /nfs/dbraw/zinc/88/45/89/413884589.db2.gz GOJLYKNQVCWACY-JHJVBQTASA-N 2 0 288.411 1.188 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407255510 413911020 /nfs/dbraw/zinc/91/10/20/413911020.db2.gz IPTQABQLZHFMCK-UBHSHLNASA-N 2 0 267.417 1.364 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H]1[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000665273697 414005033 /nfs/dbraw/zinc/00/50/33/414005033.db2.gz BTEZKAYFFBSPRN-KLHDSHLOSA-N 2 0 293.455 1.347 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H](C)c1ccccn1 ZINC000665233038 413957211 /nfs/dbraw/zinc/95/72/11/413957211.db2.gz ZRPDEOKBMSFDBY-STQMWFEESA-N 2 0 251.374 1.529 10 0 CDAERP CCN(C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000665254915 413981942 /nfs/dbraw/zinc/98/19/42/413981942.db2.gz CDKBTBROVCYFFY-MCIONIFRSA-N 2 0 282.432 1.062 10 0 CDAERP Cc1cncc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000665274020 414004024 /nfs/dbraw/zinc/00/40/24/414004024.db2.gz ICAHLTTWCSPKKY-MGPQQGTHSA-N 2 0 260.385 1.305 10 0 CDAERP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000665272767 414004754 /nfs/dbraw/zinc/00/47/54/414004754.db2.gz KXABZEPXYWGLIC-JJXSEGSLSA-N 2 0 276.428 1.991 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1cccc(OC)c1C ZINC000665294755 414038252 /nfs/dbraw/zinc/03/82/52/414038252.db2.gz VXQRCFSREPDAKO-CQSZACIVSA-N 2 0 266.385 1.847 10 0 CDAERP CC[NH+]1CCC([C@H](C)[NH2+]CCCC(=O)OC)CC1 ZINC000037415976 173192661 /nfs/dbraw/zinc/19/26/61/173192661.db2.gz VFMVVKSQJSSIQY-LBPRGKRZSA-N 2 0 256.390 1.650 10 0 CDAERP CN(CC[NH+]1CCCC1)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000665365722 414118388 /nfs/dbraw/zinc/11/83/88/414118388.db2.gz JZKYSFMYTIPUER-AWEZNQCLSA-N 2 0 296.459 1.596 10 0 CDAERP CC(C)[C@@H](O)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657365845 414239479 /nfs/dbraw/zinc/23/94/79/414239479.db2.gz JNVGCZQOIJNVAP-AWEZNQCLSA-N 2 0 260.341 1.374 10 0 CDAERP OC1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCC1 ZINC000657355840 414226083 /nfs/dbraw/zinc/22/60/83/414226083.db2.gz BCUSDNRXPRXRFF-UHFFFAOYSA-N 2 0 258.325 1.272 10 0 CDAERP COC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)C1CCOCC1 ZINC000655806070 414198970 /nfs/dbraw/zinc/19/89/70/414198970.db2.gz YORFBXJFRLVOLZ-VHDGCEQUSA-N 2 0 270.417 1.358 10 0 CDAERP COC[C@H](C[NH+]1CCC(C[N@H+](C)C(C)C)CC1)OC ZINC000659878376 414216306 /nfs/dbraw/zinc/21/63/06/414216306.db2.gz ZCWSQPBJRYKJML-HNNXBMFYSA-N 2 0 272.433 1.700 10 0 CDAERP C[C@H](O)C[C@H](C)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657371715 414251020 /nfs/dbraw/zinc/25/10/20/414251020.db2.gz MBKLMLQINLILHA-STQMWFEESA-N 2 0 274.368 1.764 10 0 CDAERP C[C@H](CCO)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657385324 414265570 /nfs/dbraw/zinc/26/55/70/414265570.db2.gz TYAFZCCLZYEARY-GFCCVEGCSA-N 2 0 260.341 1.375 10 0 CDAERP CC[C@H](C)C[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000663505149 414307216 /nfs/dbraw/zinc/30/72/16/414307216.db2.gz FUKRTHJKTRQMIC-ZDUSSCGKSA-N 2 0 269.433 1.613 10 0 CDAERP CC[NH+](CC)C[C@@H]1CC[N@H+](CC2(O)CCSCC2)C1 ZINC000659975447 414311718 /nfs/dbraw/zinc/31/17/18/414311718.db2.gz LNLARQUXWXENFZ-AWEZNQCLSA-N 2 0 286.485 1.908 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000314985907 414393278 /nfs/dbraw/zinc/39/32/78/414393278.db2.gz YFPGVXLJYXUEQF-MWDXBVQZSA-N 2 0 298.471 1.703 10 0 CDAERP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)CC1 ZINC000661870660 414413855 /nfs/dbraw/zinc/41/38/55/414413855.db2.gz KIXQOYSIBRMEDQ-KGLIPLIRSA-N 2 0 297.443 1.086 10 0 CDAERP CC/C=C/CC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662152346 414539666 /nfs/dbraw/zinc/53/96/66/414539666.db2.gz RXZCNPVLNVPAQB-NHZBNJEXSA-N 2 0 252.402 1.874 10 0 CDAERP COCC[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CCCC1 ZINC000662257821 414592677 /nfs/dbraw/zinc/59/26/77/414592677.db2.gz QNOCKMOLZUHWJW-AWEZNQCLSA-N 2 0 268.401 1.398 10 0 CDAERP C[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)[C@H]1CCCO1 ZINC000662283960 414614401 /nfs/dbraw/zinc/61/44/01/414614401.db2.gz WIPWEXIOTSJPDM-MLGOLLRUSA-N 2 0 260.381 1.989 10 0 CDAERP C[C@H](CNC(=O)C1([NH3+])CCCC1)[NH+]1CCCCC1 ZINC000038029431 174020101 /nfs/dbraw/zinc/02/01/01/174020101.db2.gz MNETZGXQIBKODG-GFCCVEGCSA-N 2 0 253.390 1.249 10 0 CDAERP C[C@]12COC[C@H]1C[N@H+](CCCC1CC[NH2+]CC1)C2 ZINC000662311611 414631210 /nfs/dbraw/zinc/63/12/10/414631210.db2.gz UXTCRTBBKOQMAQ-CABCVRRESA-N 2 0 252.402 1.735 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000040461640 174270674 /nfs/dbraw/zinc/27/06/74/174270674.db2.gz DKQBOSNRFWCQLK-GFCCVEGCSA-N 2 0 255.406 1.303 10 0 CDAERP CC[NH+](CC)CCOc1nc(C)cc(C)c1C[NH3+] ZINC000040509804 174303957 /nfs/dbraw/zinc/30/39/57/174303957.db2.gz XNYFHOSNCPEJAK-UHFFFAOYSA-N 2 0 251.374 1.878 10 0 CDAERP CCOC1CC[NH+](Cc2cccc(C(N)=[NH2+])c2)CC1 ZINC000040689519 174376611 /nfs/dbraw/zinc/37/66/11/174376611.db2.gz NWTWWXYDIKECHP-UHFFFAOYSA-N 2 0 261.369 1.972 10 0 CDAERP CCC(CC)[C@H](CNC(=O)CCC[NH2+]C)[NH+](C)C ZINC000040831495 174413428 /nfs/dbraw/zinc/41/34/28/174413428.db2.gz NDCZUUVZXMFQNR-ZDUSSCGKSA-N 2 0 257.422 1.469 10 0 CDAERP CC[NH+]1CCC(N(C)[C@H](C[NH3+])CCSC)CC1 ZINC000042615606 174828827 /nfs/dbraw/zinc/82/88/27/174828827.db2.gz ISBHTPIQGLADTL-ZDUSSCGKSA-N 2 0 259.463 1.483 10 0 CDAERP COc1ccc([C@H]([C@@H](C)[NH3+])N2CCC[N@H+](C)CC2)cc1 ZINC000042960551 174925886 /nfs/dbraw/zinc/92/58/86/174925886.db2.gz NNJLJDLYFNBAHF-CJNGLKHVSA-N 2 0 277.412 1.721 10 0 CDAERP C[NH+](C)[C@H](CN[C@@H]1CCC[NH2+]C1)c1cccs1 ZINC000043324947 175006871 /nfs/dbraw/zinc/00/68/71/175006871.db2.gz PKUVCTFGVAWSIU-VXGBXAGGSA-N 2 0 253.415 1.692 10 0 CDAERP CC[C@@H]([NH3+])[C@@H](c1cccnc1)N1CCC[N@H+](C)CC1 ZINC000043345959 175016622 /nfs/dbraw/zinc/01/66/22/175016622.db2.gz LUJHTOCAQYTJDE-HUUCEWRRSA-N 2 0 262.401 1.498 10 0 CDAERP CC[C@H]([NH3+])[C@H](c1cccnc1)N1CCC[N@H+](C)CC1 ZINC000043345961 175016954 /nfs/dbraw/zinc/01/69/54/175016954.db2.gz LUJHTOCAQYTJDE-GJZGRUSLSA-N 2 0 262.401 1.498 10 0 CDAERP C[NH2+]CCC(=O)N(CC[NH+](C)C)Cc1ccc(C)o1 ZINC000043605396 175078678 /nfs/dbraw/zinc/07/86/78/175078678.db2.gz UXAFMFKXHXJNIV-UHFFFAOYSA-N 2 0 267.373 1.088 10 0 CDAERP CCC[NH+]1CCN([C@@H]2Cc3ccccc3[C@@H]2[NH2+]C)CC1 ZINC000043805318 175107621 /nfs/dbraw/zinc/10/76/21/175107621.db2.gz OYZXHROYQYAZEK-SJORKVTESA-N 2 0 273.424 1.899 10 0 CDAERP CCC[NH+]1CCN(C[C@H]([NH2+]C)c2ccc(OC)cc2)CC1 ZINC000043805312 175107749 /nfs/dbraw/zinc/10/77/49/175107749.db2.gz HVRWYNCNLHMJQA-KRWDZBQOSA-N 2 0 291.439 1.983 10 0 CDAERP C[NH2+][C@H](CN1CCC[N@H+](C)CC1)c1ccccc1OC ZINC000043818075 175113346 /nfs/dbraw/zinc/11/33/46/175113346.db2.gz FZWUETMZDVJQNY-OAHLLOKOSA-N 2 0 277.412 1.593 10 0 CDAERP C[C@@]1(c2ccccc2)OC[C@@H](C[NH+]2CCC(C[NH3+])CC2)O1 ZINC000044514109 175189126 /nfs/dbraw/zinc/18/91/26/175189126.db2.gz MBDAZJZAMJPIDZ-IAGOWNOFSA-N 2 0 290.407 1.945 10 0 CDAERP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@H]1CCC[N@H+](C)C1 ZINC000044516259 175190307 /nfs/dbraw/zinc/19/03/07/175190307.db2.gz VEOXGYYODXWOFP-HIFRSBDPSA-N 3 0 253.434 1.648 10 0 CDAERP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NC[C@@H]1CCCC[NH+]1C ZINC000044561272 175204720 /nfs/dbraw/zinc/20/47/20/175204720.db2.gz MFMGLAFDMYVYGN-QPSCCSFWSA-N 2 0 253.434 1.789 10 0 CDAERP CC(C)[NH2+]CCCC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044726792 175238499 /nfs/dbraw/zinc/23/84/99/175238499.db2.gz NZUPRDZPEXXLPJ-LBPRGKRZSA-N 2 0 253.390 1.118 10 0 CDAERP CC[NH+](CC)CCNC(=O)C1(C[NH3+])CCCCC1 ZINC000044752974 175245435 /nfs/dbraw/zinc/24/54/35/175245435.db2.gz SIDYKKZPJFQNRR-UHFFFAOYSA-N 2 0 255.406 1.354 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)C1(C[NH3+])CCCC1 ZINC000044763700 175247978 /nfs/dbraw/zinc/24/79/78/175247978.db2.gz GYGTYMLRTPJJQX-LBPRGKRZSA-N 2 0 255.406 1.208 10 0 CDAERP CCC[C@H](C[NH3+])C(=O)N[C@@H](C)CCC[NH+](CC)CC ZINC000044798918 175255235 /nfs/dbraw/zinc/25/52/35/175255235.db2.gz ITSMEPRWTRXCIO-UONOGXRCSA-N 2 0 271.449 1.988 10 0 CDAERP CCCNC(=O)CC[NH2+][C@H](C)[C@@H]1CCC[N@H+](CC)C1 ZINC000045072505 175301812 /nfs/dbraw/zinc/30/18/12/175301812.db2.gz UHLIRSWRUXCXMY-ZIAGYGMSSA-N 2 0 269.433 1.613 10 0 CDAERP C[NH2+][C@H](C)c1ccc(S(=O)(=O)NC[C@@H](C)[NH+](C)C)cc1 ZINC000045110238 175309737 /nfs/dbraw/zinc/30/97/37/175309737.db2.gz SRTAUYKZAZWIIJ-VXGBXAGGSA-N 2 0 299.440 1.195 10 0 CDAERP COC(=O)[C@@](C)(C[NH+]1CCC(C[NH+](C)C)CC1)NC(C)C ZINC000045277046 175346807 /nfs/dbraw/zinc/34/68/07/175346807.db2.gz DGMDQLRPXPHXDX-MRXNPFEDSA-N 2 0 299.459 1.190 10 0 CDAERP CC[NH2+][C@@](C)(CCCC[N@H+](C)CC(C)C)C(N)=O ZINC000045380871 175369695 /nfs/dbraw/zinc/36/96/95/175369695.db2.gz SWWICAQLOAAUFS-AWEZNQCLSA-N 2 0 257.422 1.598 10 0 CDAERP C[NH2+][C@@](C)(CCCC[N@H+](C)C1CCCC1)C(N)=O ZINC000045384683 175372002 /nfs/dbraw/zinc/37/20/02/175372002.db2.gz DKVCTKXDPQZRPL-AWEZNQCLSA-N 2 0 255.406 1.495 10 0 CDAERP CC[NH2+][C@](C)(CCC[N@H+](C)C1CCCC1)C(N)=O ZINC000045384881 175372281 /nfs/dbraw/zinc/37/22/81/175372281.db2.gz VIMXNMYHQHCXKG-CQSZACIVSA-N 2 0 255.406 1.495 10 0 CDAERP CC[C@]1(C)C[C@](C[NH3+])(N2CC[C@H]([NH+]3CCCC3)C2)CCO1 ZINC000070366328 175895603 /nfs/dbraw/zinc/89/56/03/175895603.db2.gz DQFFFPGDPHIIAW-GVDBMIGSSA-N 2 0 295.471 1.833 10 0 CDAERP C[N@@H+]1CCN(C[C@@H](C[NH3+])c2ccccc2)CC1(C)C ZINC000070942708 176015612 /nfs/dbraw/zinc/01/56/12/176015612.db2.gz QZZGBUXFTKERIV-OAHLLOKOSA-N 2 0 261.413 1.755 10 0 CDAERP CC[NH+](CC)C[C@H](C)N1CCC[C@@H]([NH2+]C2CC2)C1=O ZINC000071034758 176024800 /nfs/dbraw/zinc/02/48/00/176024800.db2.gz QRSYEIRFVAYJPA-GXTWGEPZSA-N 2 0 267.417 1.460 10 0 CDAERP CCC[NH2+][C@@H]1CCN(CCC[N@@H+]2CCCC[C@@H]2C)C1=O ZINC000071037917 176026557 /nfs/dbraw/zinc/02/65/57/176026557.db2.gz LBFFQMJJMLRDCE-LSDHHAIUSA-N 2 0 281.444 1.851 10 0 CDAERP Cc1cc(CN(C)C[C@@H]2CC[N@H+](C)C2)oc1C[NH3+] ZINC000071191808 176071625 /nfs/dbraw/zinc/07/16/25/176071625.db2.gz BEKBSACLXALIRT-GFCCVEGCSA-N 2 0 251.374 1.430 10 0 CDAERP C[NH2+]Cc1cnc(N(C)C[C@H]2CC[N@H+](C)C2)c(Cl)c1 ZINC000071191673 176072101 /nfs/dbraw/zinc/07/21/01/176072101.db2.gz DQPFTVMROISZTG-NSHDSACASA-N 2 0 282.819 1.842 10 0 CDAERP CC[NH2+][C@@H]1CCCN(C[C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000071200511 176077801 /nfs/dbraw/zinc/07/78/01/176077801.db2.gz KUQKEDDCZSUGTR-LSDHHAIUSA-N 2 0 253.434 1.791 10 0 CDAERP COCC[NH+](CCCCCC[NH2+]C1CC1)CCOC ZINC000071289698 176110437 /nfs/dbraw/zinc/11/04/37/176110437.db2.gz CYURXCBBVBFWCL-UHFFFAOYSA-N 2 0 272.433 1.894 10 0 CDAERP Cn1c(C[NH3+])nnc1SCC[C@H]1CCCC[N@@H+]1C ZINC000071374042 176139265 /nfs/dbraw/zinc/13/92/65/176139265.db2.gz QCSKHUVARWETAG-SNVBAGLBSA-N 2 0 269.418 1.240 10 0 CDAERP CC[C@@]1(C(=O)NCC[N@H+](C)C2CCCC2)CCC[NH2+]C1 ZINC000071378481 176142608 /nfs/dbraw/zinc/14/26/08/176142608.db2.gz JATVTHROVJXQEJ-MRXNPFEDSA-N 2 0 281.444 1.757 10 0 CDAERP C[N@H+](CCNC(=O)C[NH2+]C1CCCC1)C1CCCC1 ZINC000071378707 176143725 /nfs/dbraw/zinc/14/37/25/176143725.db2.gz STOMBSFYPNJPKO-UHFFFAOYSA-N 2 0 267.417 1.509 10 0 CDAERP CC[C@H](C)[NH2+]CC(=O)NCC[N@H+](C)C1CCCC1 ZINC000071378784 176143760 /nfs/dbraw/zinc/14/37/60/176143760.db2.gz XALHDKQBGHQZLJ-LBPRGKRZSA-N 2 0 255.406 1.365 10 0 CDAERP CC[C@@H]([NH3+])[C@H](c1ccco1)N1CC[NH+](CC(C)(C)O)CC1 ZINC000071380206 176144241 /nfs/dbraw/zinc/14/42/41/176144241.db2.gz KRFXCJLMHZMPIO-UKRRQHHQSA-N 2 0 295.427 1.447 10 0 CDAERP CCC[NH2+]CC(C)(C)CN1CC[NH+](CC(C)(C)O)CC1 ZINC000071381834 176145439 /nfs/dbraw/zinc/14/54/39/176145439.db2.gz DJZWMPCKVQLOIJ-UHFFFAOYSA-N 2 0 285.476 1.401 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NC2(C[NH2+]C/C=C/Cl)CCCC2)C1 ZINC001665964633 1173093447 /nfs/dbraw/zinc/09/34/47/1173093447.db2.gz ZIUJILIEHCRGLC-FLUIGGAXSA-N 2 0 299.846 1.709 10 0 CDAERP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000417907726 227144321 /nfs/dbraw/zinc/14/43/21/227144321.db2.gz APCUEDVPRXDFIQ-JLVJUDLZSA-N 2 0 296.459 1.486 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000418069581 228001896 /nfs/dbraw/zinc/00/18/96/228001896.db2.gz RZCRVWJACPUDQM-RYUDHWBXSA-N 2 0 270.421 1.143 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000418100785 228050378 /nfs/dbraw/zinc/05/03/78/228050378.db2.gz QESNTFIZSWUZLP-RWMBFGLXSA-N 2 0 282.432 1.238 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C[NH2+]CCC1CC1 ZINC001666546239 1173149868 /nfs/dbraw/zinc/14/98/68/1173149868.db2.gz IHVBXEKMYSPWJW-XJKSGUPXSA-N 2 0 293.455 1.470 10 0 CDAERP CC[N@@H+]1CC[C@H](CNCc2cnnn2Cc2ccccc2)C1 ZINC000292021087 263127426 /nfs/dbraw/zinc/12/74/26/263127426.db2.gz XBUINDIPHVWNNN-MRXNPFEDSA-N 2 0 299.422 1.758 10 0 CDAERP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H]2CNCCO2)CC1 ZINC000662259695 423805961 /nfs/dbraw/zinc/80/59/61/423805961.db2.gz AAQWYMBQCXCXQG-HNNXBMFYSA-N 2 0 269.433 1.027 10 0 CDAERP CO[C@@H](C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)C1CCCC1 ZINC000662272904 423829194 /nfs/dbraw/zinc/82/91/94/423829194.db2.gz IFKKLEGIYBHYOR-HOTGVXAUSA-N 2 0 296.455 1.879 10 0 CDAERP CO[C@H](C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)C1CCCC1 ZINC000662274835 423838542 /nfs/dbraw/zinc/83/85/42/423838542.db2.gz XNYOZCCXOLYNFK-SOUVJXGZSA-N 2 0 252.402 1.875 10 0 CDAERP CC[NH+]1CCC([NH2+]C[C@]2(CO)CCc3ccccc32)CC1 ZINC000651885042 423851506 /nfs/dbraw/zinc/85/15/06/423851506.db2.gz WHAICCLZVDKPRT-SFHVURJKSA-N 2 0 288.435 1.937 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCC1([NH3+])CCCCCC1 ZINC000418284336 423855510 /nfs/dbraw/zinc/85/55/10/423855510.db2.gz MLTBHTGMOSWACT-CHWSQXEVSA-N 2 0 282.432 1.335 10 0 CDAERP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCc2ccccc2C(C)(C)C1 ZINC000662299853 423933619 /nfs/dbraw/zinc/93/36/19/423933619.db2.gz YMDPWQWHTKNKQS-QGZVFWFLSA-N 2 0 276.424 1.793 10 0 CDAERP O[C@]1(CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCOC1 ZINC000651943729 423938660 /nfs/dbraw/zinc/93/86/60/423938660.db2.gz CDEIHPGYKKJNQJ-QGZVFWFLSA-N 2 0 296.455 1.915 10 0 CDAERP O=C(CC[N@@H+]1CCC[C@@H](C2CCC2)C1)N1CC[NH2+]CC1 ZINC000662317301 423950834 /nfs/dbraw/zinc/95/08/34/423950834.db2.gz OIHFOJSKYRSLAI-OAHLLOKOSA-N 2 0 279.428 1.320 10 0 CDAERP C[C@@]1(CNCc2nc3c(s2)C[NH2+]CC3)CCC[NH2+]C1 ZINC000663499904 423891863 /nfs/dbraw/zinc/89/18/63/423891863.db2.gz XBMGYMDIMILTNM-CQSZACIVSA-N 2 0 280.441 1.268 10 0 CDAERP CC(C)[NH2+]CCC(=O)N1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000653267186 423959021 /nfs/dbraw/zinc/95/90/21/423959021.db2.gz LZVMPGDVZIUGSP-RBSFLKMASA-N 2 0 297.443 1.262 10 0 CDAERP CO[C@H](C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1)C1CCC1 ZINC000662326349 423962168 /nfs/dbraw/zinc/96/21/68/423962168.db2.gz RYBJDWGGFYGPDH-JKSUJKDBSA-N 2 0 284.444 1.844 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCC2(C[NH3+])CC2)C[C@@H]1C ZINC000652240092 424119000 /nfs/dbraw/zinc/11/90/00/424119000.db2.gz PHKGOLNGKDYCHI-KBPBESRZSA-N 2 0 296.459 1.630 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652240978 424124905 /nfs/dbraw/zinc/12/49/05/424124905.db2.gz RTBFDARBMQKIQV-AWEZNQCLSA-N 2 0 296.459 1.489 10 0 CDAERP CC[C@H]([NH2+]C)C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000662512950 424148332 /nfs/dbraw/zinc/14/83/32/424148332.db2.gz UKVQRICKXCASSG-ZFWWWQNUSA-N 2 0 277.412 1.621 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@H](CC[NH3+])C(F)F ZINC000652222483 424099274 /nfs/dbraw/zinc/09/92/74/424099274.db2.gz PPCCCMLFGQSDNU-LLVKDONJSA-N 2 0 294.390 1.246 10 0 CDAERP NC(=O)[C@@H]1CCCCN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652336807 424253273 /nfs/dbraw/zinc/25/32/73/424253273.db2.gz CPZMGSBLSHPMBB-HNNXBMFYSA-N 2 0 273.380 1.172 10 0 CDAERP COCCCC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652363092 424315438 /nfs/dbraw/zinc/31/54/38/424315438.db2.gz XPCUENRSRAJRGK-RRFJBIMHSA-N 2 0 270.417 1.774 10 0 CDAERP CC1(C)C[NH2+][C@@H]1c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000647158840 424592484 /nfs/dbraw/zinc/59/24/84/424592484.db2.gz LULNJBUFEMHOJJ-LLVKDONJSA-N 2 0 258.325 1.866 10 0 CDAERP Cc1c(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cnn1C ZINC000397388556 270350104 /nfs/dbraw/zinc/35/01/04/270350104.db2.gz IUXOFVSAWLMBMP-WZRBSPASSA-N 2 0 250.390 1.534 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCCc3n[nH]cc32)CC1 ZINC000367618208 276199628 /nfs/dbraw/zinc/19/96/28/276199628.db2.gz SEHRMAFSJNUKGR-UKRRQHHQSA-N 2 0 291.443 1.403 10 0 CDAERP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000367602978 276335635 /nfs/dbraw/zinc/33/56/35/276335635.db2.gz XKOYGYMSKCYLED-GXTWGEPZSA-N 2 0 280.416 1.734 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262635584 276363442 /nfs/dbraw/zinc/36/34/42/276363442.db2.gz HOFQKQXIWQARMA-JJXSEGSLSA-N 2 0 293.455 1.898 10 0 CDAERP C[C@@H](C(=O)N[C@H]1C[NH2+]CCC1(F)F)[NH+]1CCCCCC1 ZINC000334654825 277555368 /nfs/dbraw/zinc/55/53/68/277555368.db2.gz QVHWSGKFJJKWFN-RYUDHWBXSA-N 2 0 289.370 1.364 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000335344427 277582325 /nfs/dbraw/zinc/58/23/25/277582325.db2.gz IYWAKKLQPAPACN-GXTWGEPZSA-N 2 0 267.417 1.221 10 0 CDAERP COc1ccc2c(c1)C[C@H]([NH2+]CCCC[NH+](C)C)CO2 ZINC000297725588 277966227 /nfs/dbraw/zinc/96/62/27/277966227.db2.gz NJGDMBKAVIVBTC-AWEZNQCLSA-N 2 0 278.396 1.930 10 0 CDAERP C[C@@H]([NH2+]C1CCN(c2ccccn2)CC1)[C@H]1CCC[NH2+]1 ZINC000400422903 278336161 /nfs/dbraw/zinc/33/61/61/278336161.db2.gz XOBRMNBSLYHNRV-UKRRQHHQSA-N 2 0 274.412 1.781 10 0 CDAERP CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423101396 278539289 /nfs/dbraw/zinc/53/92/89/278539289.db2.gz IPSLUGPIGZPXBH-CLRIEMFWSA-N 2 0 272.433 1.252 10 0 CDAERP CC[N@H+](CC(=O)N1C[C@@H]2CCC[NH+]2C[C@H]1C)C1CC1 ZINC000246335226 279052601 /nfs/dbraw/zinc/05/26/01/279052601.db2.gz TZBBUBJKZDPZAP-OCCSQVGLSA-N 2 0 265.401 1.166 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000222900990 279180163 /nfs/dbraw/zinc/18/01/63/279180163.db2.gz DNFLGWONJOZRAC-LSDHHAIUSA-N 2 0 253.434 1.920 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000245391908 279322317 /nfs/dbraw/zinc/32/23/17/279322317.db2.gz SCIDFHXLAMMVGG-XQQFMLRXSA-N 2 0 253.390 1.104 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000233455827 280123072 /nfs/dbraw/zinc/12/30/72/280123072.db2.gz WIQARPZMEVYJQX-XQQFMLRXSA-N 2 0 255.406 1.221 10 0 CDAERP CC[NH+]1CCC[C@H](N[C@H]2CC[N@@H+](CC)C[C@H]2C)C1 ZINC000246976860 280313234 /nfs/dbraw/zinc/31/32/34/280313234.db2.gz JKNWLRCJLCZQHK-ILXRZTDVSA-N 2 0 253.434 1.791 10 0 CDAERP CC[C@@H]1CC[C@@H](C)[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000357557630 280324873 /nfs/dbraw/zinc/32/48/73/280324873.db2.gz YZFCKZXVGXDMBP-UKRRQHHQSA-N 2 0 293.455 1.992 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N(C)CCC[NH+](C)C ZINC000248624486 280368520 /nfs/dbraw/zinc/36/85/20/280368520.db2.gz NTMWCEKJHUFSMG-GJZGRUSLSA-N 2 0 298.475 1.700 10 0 CDAERP CC[C@@](C)(O)C[N@@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000248652269 280371132 /nfs/dbraw/zinc/37/11/32/280371132.db2.gz NPSBVDDADMZNQK-DLBZAZTESA-N 2 0 291.439 1.996 10 0 CDAERP CC[C@H](C(=O)N1CCC([NH+]2CCCC2)CC1)[NH+](C)C ZINC000126518838 280663422 /nfs/dbraw/zinc/66/34/22/280663422.db2.gz HJKBPOXTQXFOKH-CQSZACIVSA-N 2 0 267.417 1.413 10 0 CDAERP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000515730973 280907637 /nfs/dbraw/zinc/90/76/37/280907637.db2.gz RWPPFRAINITYLD-JSGCOSHPSA-N 2 0 281.444 1.706 10 0 CDAERP Cc1cc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)ccn1 ZINC000527636741 281164950 /nfs/dbraw/zinc/16/49/50/281164950.db2.gz REPNSYUVPDRGMQ-UHFFFAOYSA-N 2 0 276.428 1.506 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)C1C[NH+](C2CCCCC2)C1 ZINC000457541994 289210620 /nfs/dbraw/zinc/21/06/20/289210620.db2.gz QZRAPAHRMIECLZ-MRXNPFEDSA-N 2 0 293.455 1.804 10 0 CDAERP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000227662254 289295040 /nfs/dbraw/zinc/29/50/40/289295040.db2.gz JCKQUNTVDYCWAJ-YNEHKIRRSA-N 2 0 253.390 1.057 10 0 CDAERP CCC[C@@H](C(=O)NCC(C)(C)C[NH+](C)C)[NH+](C)C ZINC000158965598 289321630 /nfs/dbraw/zinc/32/16/30/289321630.db2.gz UZVDGZWLDZPRSE-LBPRGKRZSA-N 2 0 257.422 1.421 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)C1CC1 ZINC000262607671 289397188 /nfs/dbraw/zinc/39/71/88/289397188.db2.gz BAIUQZSICYLKAH-LJISPDSOSA-N 2 0 279.428 1.364 10 0 CDAERP CC[NH+](CC)CC1CCN(c2cc[nH+]cc2C(N)=O)CC1 ZINC000547281717 289761530 /nfs/dbraw/zinc/76/15/30/289761530.db2.gz JDUJRYKOSQPOKU-UHFFFAOYSA-N 2 0 290.411 1.739 10 0 CDAERP C[N@@H+]1CC[C@@]2(CCN(CC[C@H]3CCCC[NH+]3C)C2)C1 ZINC000368352883 290187615 /nfs/dbraw/zinc/18/76/15/290187615.db2.gz YNHXHSUPQHTIHK-HZPDHXFCSA-N 2 0 265.445 1.888 10 0 CDAERP C[C@H]1CCCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000334859283 290371809 /nfs/dbraw/zinc/37/18/09/290371809.db2.gz YBQLNQJBQWQQKH-KBPBESRZSA-N 2 0 267.417 1.448 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1cccc(OC)c1OC ZINC000422716237 292805168 /nfs/dbraw/zinc/80/51/68/292805168.db2.gz JVITVOMBUKRQEQ-CYBMUJFWSA-N 2 0 282.384 1.547 10 0 CDAERP C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000562809372 293201080 /nfs/dbraw/zinc/20/10/80/293201080.db2.gz RGSOOGGDXDBAOV-MWLCHTKSSA-N 2 0 277.343 1.408 10 0 CDAERP CC(C)OC[C@H](O)C[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000563013779 293245501 /nfs/dbraw/zinc/24/55/01/293245501.db2.gz MDENAJXEBBJCMR-HUUCEWRRSA-N 2 0 272.433 1.626 10 0 CDAERP C[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+](C)C)C1=O)c1ccccc1 ZINC000568103621 293951787 /nfs/dbraw/zinc/95/17/87/293951787.db2.gz DAXNBLYCMXJQRB-OCCSQVGLSA-N 2 0 289.379 1.026 10 0 CDAERP C[C@@H]([NH2+]CCN1CCSCC1)[C@@H]1CCC[NH2+]C1 ZINC000571193995 294386817 /nfs/dbraw/zinc/38/68/17/294386817.db2.gz DWOWBRSTBPULSZ-CHWSQXEVSA-N 2 0 257.447 1.013 10 0 CDAERP C[NH2+]C1CCN(C(=O)c2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000571205208 294389243 /nfs/dbraw/zinc/38/92/43/294389243.db2.gz WFYVTEASMUAGDV-LLVKDONJSA-N 2 0 261.369 1.530 10 0 CDAERP CC(C)C(C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)C(C)C ZINC000575040897 295090074 /nfs/dbraw/zinc/09/00/74/295090074.db2.gz UFLQUYPGZPAJGK-OAHLLOKOSA-N 2 0 285.476 1.113 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000371230828 295277920 /nfs/dbraw/zinc/27/79/20/295277920.db2.gz NJLNUZBRFXBTSZ-JKSUJKDBSA-N 2 0 287.407 1.750 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C(=O)N2CCC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000373039613 295321765 /nfs/dbraw/zinc/32/17/65/295321765.db2.gz JDLKLBASDKVAPB-RRFJBIMHSA-N 2 0 279.428 1.591 10 0 CDAERP COc1ccccc1[C@H]1C[NH2+]CCN1C[C@H]1CCC[NH2+]C1 ZINC000262160026 295413217 /nfs/dbraw/zinc/41/32/17/295413217.db2.gz GVFQAKVXWCJMSB-GOEBONIOSA-N 2 0 289.423 1.641 10 0 CDAERP C[C@@]1(CN2CCC[C@H]2C[NH+]2CCCC2)CC[NH2+]C1 ZINC000262106128 297892577 /nfs/dbraw/zinc/89/25/77/297892577.db2.gz VYLIHEVBWYKHTJ-LSDHHAIUSA-N 2 0 251.418 1.546 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C[NH2+]CC1CCCC1)[NH+](C)C ZINC001669450647 1173550680 /nfs/dbraw/zinc/55/06/80/1173550680.db2.gz KTRRAEFZWJAEFX-TZMCWYRMSA-N 2 0 269.433 1.611 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CCC1CC1 ZINC001669751040 1173593549 /nfs/dbraw/zinc/59/35/49/1173593549.db2.gz WLJQYVMEXPAQIJ-DZGCQCFKSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCCC[C@@H]2CC[NH3+])CC[NH2+]1 ZINC000566250855 316529860 /nfs/dbraw/zinc/52/98/60/316529860.db2.gz FIOGMGKRYUKFTH-RWMBFGLXSA-N 2 0 253.390 1.104 10 0 CDAERP CN(C(=O)CC[C@H]1CCCC[N@@H+]1C)[C@@H](C[NH3+])C1CC1 ZINC000576822799 317213885 /nfs/dbraw/zinc/21/38/85/317213885.db2.gz NIRJNMDLWMJZFB-KGLIPLIRSA-N 2 0 267.417 1.447 10 0 CDAERP CCC1CCC(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CC1 ZINC000577721421 317388080 /nfs/dbraw/zinc/38/80/80/317388080.db2.gz GHCBXUCOVQSUOB-JCYILVPMSA-N 2 0 297.487 1.401 10 0 CDAERP CCCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001672408768 1173769998 /nfs/dbraw/zinc/76/99/98/1173769998.db2.gz NANOTDJTSHZUIY-XHSDSOJGSA-N 2 0 293.455 1.661 10 0 CDAERP C[C@@H](CNC(=O)N(C)CCC[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000185769086 323396851 /nfs/dbraw/zinc/39/68/51/323396851.db2.gz JGEJMRGAQMFZEE-HNNXBMFYSA-N 2 0 298.475 1.700 10 0 CDAERP COCC[NH2+]C1CCN(CCCOC(C)C)CC1 ZINC000579132741 324116617 /nfs/dbraw/zinc/11/66/17/324116617.db2.gz KPUYXONEGOYJOG-UHFFFAOYSA-N 2 0 258.406 1.502 10 0 CDAERP CC[NH2+]Cc1ccccc1NC(=O)C[C@H]1COCC[NH2+]1 ZINC000579221829 324130949 /nfs/dbraw/zinc/13/09/49/324130949.db2.gz AEFDVJJGPCLGIZ-ZDUSSCGKSA-N 2 0 277.368 1.113 10 0 CDAERP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCC([NH2+]C)CC1 ZINC000581942415 324865358 /nfs/dbraw/zinc/86/53/58/324865358.db2.gz QSBSYDXAWXZGCL-LBPRGKRZSA-N 2 0 255.406 1.221 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000582299805 324949090 /nfs/dbraw/zinc/94/90/90/324949090.db2.gz IHSKUTGXAJUVMQ-MRFVTOPCSA-N 2 0 282.432 1.428 10 0 CDAERP [NH3+][C@@H](CC(F)F)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000582544902 324996467 /nfs/dbraw/zinc/99/64/67/324996467.db2.gz BTUUOXKYJXEEPQ-ILDUYXDCSA-N 2 0 275.343 1.102 10 0 CDAERP OCC[N@@H+]1CCCC[C@@H]1CNC1CC[NH+](CC2CC2)CC1 ZINC000582586734 325002951 /nfs/dbraw/zinc/00/29/51/325002951.db2.gz HAHFVEZKMVCXFP-QGZVFWFLSA-N 2 0 295.471 1.297 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000583872027 325257133 /nfs/dbraw/zinc/25/71/33/325257133.db2.gz MFJRYRBKZWJIHY-RYUDHWBXSA-N 3 0 273.384 1.791 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000584171433 327056822 /nfs/dbraw/zinc/05/68/22/327056822.db2.gz YNMRATVMDFHVEC-KFWWJZLASA-N 2 0 281.444 1.742 10 0 CDAERP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CC[C@@H](C)F ZINC001418730698 1159169077 /nfs/dbraw/zinc/16/90/77/1159169077.db2.gz OIFMZPBEWQDACL-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP CCCC[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001698570883 1175847961 /nfs/dbraw/zinc/84/79/61/1175847961.db2.gz XTTVXLZLFSTMRX-ZDUSSCGKSA-N 2 0 255.406 1.271 10 0 CDAERP CC/C=C/CC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001267616822 1159542224 /nfs/dbraw/zinc/54/22/24/1159542224.db2.gz DFIFTAXBNBICCK-LLYBFZRZSA-N 2 0 281.444 1.875 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC/C=C\C[NH2+]CCF)C1 ZINC001268612902 1159999699 /nfs/dbraw/zinc/99/96/99/1159999699.db2.gz JWIRBDFFLJLZGE-KBIGUFJUSA-N 2 0 285.407 1.338 10 0 CDAERP CCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001271002604 1160236377 /nfs/dbraw/zinc/23/63/77/1160236377.db2.gz DAJOEJKIEUKPSI-KGLIPLIRSA-N 2 0 271.449 1.809 10 0 CDAERP CC[C@@H]1CN(C(=O)[C@H]2[NH2+]CCCC2(C)C)CC[C@H]1[NH3+] ZINC000669516251 482540489 /nfs/dbraw/zinc/54/04/89/482540489.db2.gz ZXMXCQCNAZAHBW-JHJVBQTASA-N 2 0 267.417 1.350 10 0 CDAERP CN1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000671742430 482542018 /nfs/dbraw/zinc/54/20/18/482542018.db2.gz PDLDHXAMAAXZIX-BYNSBNAKSA-N 2 0 251.418 1.543 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NC/C=C\C[NH3+])C1 ZINC000669310818 482686851 /nfs/dbraw/zinc/68/68/51/482686851.db2.gz ZYRIWEBZGRJDPQ-LQOBQMSGSA-N 2 0 282.432 1.169 10 0 CDAERP C[NH+](C)C[C@@H](NC(=O)CC1([NH3+])CCC1)c1ccccc1 ZINC000094295011 482777964 /nfs/dbraw/zinc/77/79/64/482777964.db2.gz IBMZQCOBXSGEIG-CQSZACIVSA-N 2 0 275.396 1.677 10 0 CDAERP [NH3+]CC1(CC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)CCCCC1 ZINC000335849376 482875847 /nfs/dbraw/zinc/87/58/47/482875847.db2.gz FDMNRPXZJJGGRC-KRWDZBQOSA-N 2 0 293.455 1.888 10 0 CDAERP C[C@@H](C(=O)NC1CC([NH+](C)C)C1)[NH+]1CCCCCC1 ZINC000670401978 482889382 /nfs/dbraw/zinc/88/93/82/482889382.db2.gz FVWDGBZHUJGSTN-HSBZDZAISA-N 2 0 267.417 1.460 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)C[C@@H]([NH3+])C(C)C)CC1 ZINC000136313654 482909487 /nfs/dbraw/zinc/90/94/87/482909487.db2.gz SFZWUPJGNYMFFT-CYBMUJFWSA-N 2 0 255.406 1.303 10 0 CDAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000667999145 482992050 /nfs/dbraw/zinc/99/20/50/482992050.db2.gz WEKHVNYOCUFCMV-KBMXLJTQSA-N 2 0 281.444 1.170 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089451262 483076064 /nfs/dbraw/zinc/07/60/64/483076064.db2.gz RXJYMWGRRBEEDS-MCIONIFRSA-N 2 0 267.417 1.352 10 0 CDAERP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@H]1CCC[NH+](C)C1 ZINC000674721563 483092585 /nfs/dbraw/zinc/09/25/85/483092585.db2.gz DGHLHJCLBWLMNL-RDBSUJKOSA-N 2 0 282.432 1.062 10 0 CDAERP C[NH+](C)C[C@H](NC(=O)C[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000089746540 483129724 /nfs/dbraw/zinc/12/97/24/483129724.db2.gz ODOYMKYVEHDGMY-ZFWWWQNUSA-N 2 0 275.396 1.405 10 0 CDAERP c1ccc(-c2noc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)n2)nc1 ZINC000319184447 483332504 /nfs/dbraw/zinc/33/25/04/483332504.db2.gz ATAGAWWQCILJEV-BETUJISGSA-N 2 0 299.378 1.563 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000136476594 483407189 /nfs/dbraw/zinc/40/71/89/483407189.db2.gz LOSMBKMVCWPLQS-GSPSYOTPSA-N 2 0 267.417 1.491 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000136497012 483409120 /nfs/dbraw/zinc/40/91/20/483409120.db2.gz YTZXAWFSMOHFAO-YNEHKIRRSA-N 2 0 253.390 1.103 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCN(c3ncccn3)C2)C1 ZINC000222950691 483459128 /nfs/dbraw/zinc/45/91/28/483459128.db2.gz DUFNLDKRTUJASR-MGPQQGTHSA-N 2 0 275.400 1.305 10 0 CDAERP C[C@H](CCNC(=O)N[C@@H]1CCC[N@H+](C)C1)[NH+]1CCCCC1 ZINC000680273263 483571856 /nfs/dbraw/zinc/57/18/56/483571856.db2.gz WUHZRWXESJIBEB-HUUCEWRRSA-N 2 0 296.459 1.644 10 0 CDAERP C[C@@H](CC[NH2+]CCC1CC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482890310 1160640767 /nfs/dbraw/zinc/64/07/67/1160640767.db2.gz PDDKHQPNEZHCAA-DZGCQCFKSA-N 2 0 281.444 1.613 10 0 CDAERP CCOCC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C(C)C ZINC001732560717 1160716714 /nfs/dbraw/zinc/71/67/14/1160716714.db2.gz KEPQARGLMPLWCF-LSDHHAIUSA-N 2 0 299.459 1.238 10 0 CDAERP COC[C@@H](C)[N@@H+]1CC[C@](C)(NC(=O)CCCC[NH+](C)C)C1 ZINC001671683958 1160735993 /nfs/dbraw/zinc/73/59/93/1160735993.db2.gz IBHBWPZDKXVJES-ZBFHGGJFSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000055089813 519338627 /nfs/dbraw/zinc/33/86/27/519338627.db2.gz PTQWMEBKMVFEGO-RDBSUJKOSA-N 2 0 269.433 1.596 10 0 CDAERP CC(C)C[NH+]1CCN(C2(C[NH3+])CCSCC2)CC1 ZINC000055078085 519725182 /nfs/dbraw/zinc/72/51/82/519725182.db2.gz MUHVTCNZTATIOQ-UHFFFAOYSA-N 2 0 271.474 1.485 10 0 CDAERP CC(C)OCCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001483240276 1160878927 /nfs/dbraw/zinc/87/89/27/1160878927.db2.gz DGAWUMGQBMATID-GJZGRUSLSA-N 2 0 299.459 1.380 10 0 CDAERP CC[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001483512126 1160932722 /nfs/dbraw/zinc/93/27/22/1160932722.db2.gz PNDSHHUWZTXXAK-ZDUSSCGKSA-N 2 0 255.406 1.319 10 0 CDAERP CCC[NH2+]CCC[C@H](C)[NH+](CCOC)CCOC ZINC000052571456 519912931 /nfs/dbraw/zinc/91/29/31/519912931.db2.gz ZSQSBYRTRWTFCZ-AWEZNQCLSA-N 2 0 260.422 1.750 10 0 CDAERP CC[NH2+]CCS(=O)(=O)N[C@@H](C)CCC[NH+](CC)CC ZINC000049641144 519925556 /nfs/dbraw/zinc/92/55/56/519925556.db2.gz FHXBTQRJBWNDTB-ZDUSSCGKSA-N 2 0 293.477 1.026 10 0 CDAERP CCC[NH2+][C@@H](CN(C)[C@@H]1CCC[N@H+](C)C1)C1CC1 ZINC000069074997 520008030 /nfs/dbraw/zinc/00/80/30/520008030.db2.gz MQIFHWKNQLQTDL-CABCVRRESA-N 2 0 253.434 1.791 10 0 CDAERP CC[NH2+][C@H]1CCC[C@H]1N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055065980 520215486 /nfs/dbraw/zinc/21/54/86/520215486.db2.gz WMNSGSSLSGXAHA-SOUVJXGZSA-N 2 0 253.434 1.933 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C[NH2+]CCF)C2CC2)CC[N@@H+]1C ZINC001485812450 1161294419 /nfs/dbraw/zinc/29/44/19/1161294419.db2.gz ZBCWKMPOVOABMN-ZNMIVQPWSA-N 2 0 299.434 1.513 10 0 CDAERP CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CC2)C1 ZINC001649115052 1161388726 /nfs/dbraw/zinc/38/87/26/1161388726.db2.gz MHTCICFVCSDZHQ-UONOGXRCSA-N 2 0 265.401 1.166 10 0 CDAERP CC[NH+]1CCC(N(C)Cc2ccoc2C[NH3+])CC1 ZINC000052544007 521563567 /nfs/dbraw/zinc/56/35/67/521563567.db2.gz MDEKEAYXUZJESZ-UHFFFAOYSA-N 2 0 251.374 1.654 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CC[NH2+]CCCF ZINC001713666263 1178702328 /nfs/dbraw/zinc/70/23/28/1178702328.db2.gz LCJJKWKBYBDCBT-BETUJISGSA-N 2 0 273.396 1.267 10 0 CDAERP CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001714105557 1178976591 /nfs/dbraw/zinc/97/65/91/1178976591.db2.gz AJLYOVWOUZLPGC-KGLIPLIRSA-N 2 0 269.433 1.754 10 0 CDAERP CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001715405007 1179658097 /nfs/dbraw/zinc/65/80/97/1179658097.db2.gz VEFUTBJSBYNJLY-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1Cc1cc(C[NH3+])ccc1F ZINC000061642644 521868201 /nfs/dbraw/zinc/86/82/01/521868201.db2.gz ALMKODQMGYQGFD-CQSZACIVSA-N 2 0 265.376 1.810 10 0 CDAERP CCCC[NH2+][C@@H](C)[C@@H](C)NC(=O)CCc1c[nH]cn1 ZINC001717413508 1180659852 /nfs/dbraw/zinc/65/98/52/1180659852.db2.gz TVYPFUPZXCNWKR-NWDGAFQWSA-N 2 0 266.389 1.625 10 0 CDAERP CCC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001732199857 1182853024 /nfs/dbraw/zinc/85/30/24/1182853024.db2.gz SBYSPIHQFWJERV-KGLIPLIRSA-N 2 0 269.433 1.754 10 0 CDAERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]CC1CCC1 ZINC001734000759 1183609252 /nfs/dbraw/zinc/60/92/52/1183609252.db2.gz GBXMBRYNAUMDCV-QWHCGFSZSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)C[NH2+][C@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001734353954 1183745308 /nfs/dbraw/zinc/74/53/08/1183745308.db2.gz GBVIENBGZRGULJ-CYBMUJFWSA-N 2 0 255.406 1.175 10 0 CDAERP CC(C)(C)[NH+]1CCN(C(=O)C[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000055141067 518710520 /nfs/dbraw/zinc/71/05/20/518710520.db2.gz YJVDXXDGPHQTDH-KGLIPLIRSA-N 2 0 281.444 1.837 10 0 CDAERP CC(=O)N1CCC[N@H+](CCC[C@H]2CCC[NH2+]2)CC1 ZINC000052764537 519527066 /nfs/dbraw/zinc/52/70/66/519527066.db2.gz VUBPIFVRCBZYRM-CQSZACIVSA-N 2 0 253.390 1.073 10 0 CDAERP CC(C)N1CC[NH+](C[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000070257180 519681988 /nfs/dbraw/zinc/68/19/88/519681988.db2.gz JMYWKXROKZARQJ-AWEZNQCLSA-N 2 0 251.418 1.402 10 0 CDAERP CC(C)[NH+]1CCN(c2ncc([C@H](C)[NH3+])s2)CC1 ZINC000054895666 519684868 /nfs/dbraw/zinc/68/48/68/519684868.db2.gz ZUCWRLDFDRCBJA-JTQLQIEISA-N 2 0 254.403 1.693 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)c1cc[nH+]c(NN)c1 ZINC000051094572 519716541 /nfs/dbraw/zinc/71/65/41/519716541.db2.gz XDAPEXHSOCOUPP-UHFFFAOYSA-N 2 0 279.388 1.027 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)[C@@H]2CCC[C@H](C)[NH2+]2)CC1 ZINC000055082555 519724359 /nfs/dbraw/zinc/72/43/59/519724359.db2.gz AHYIHNIJYZHSGV-KBPBESRZSA-N 2 0 267.417 1.317 10 0 CDAERP CC(C)[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)[C@@H]2CCSC2)O1 ZINC000052453594 519725246 /nfs/dbraw/zinc/72/52/46/519725246.db2.gz CKLZDCJPLDTDIL-MCIONIFRSA-N 2 0 272.458 1.969 10 0 CDAERP CC(C)C[NH+]1CCN(CCOc2ccccc2C[NH3+])CC1 ZINC000055077548 519725983 /nfs/dbraw/zinc/72/59/83/519725983.db2.gz YVHWFTGMTSDPKR-UHFFFAOYSA-N 2 0 291.439 1.798 10 0 CDAERP CC(C)C[NH2+]C[C@]1(C[N@@H+]2CCC[C@@H]2CCCO)CCOC1 ZINC000052763317 519746659 /nfs/dbraw/zinc/74/66/59/519746659.db2.gz LDPVAFUJFZQEIJ-SJORKVTESA-N 2 0 298.471 1.876 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000055139159 519793105 /nfs/dbraw/zinc/79/31/05/519793105.db2.gz IAGIFRMICPLXCN-HZSPNIEDSA-N 2 0 269.433 1.596 10 0 CDAERP CCC[NH+]1CCN(C(=O)[C@H]2CCC[C@@H](C)[C@@H]2[NH3+])CC1 ZINC000055124571 519856567 /nfs/dbraw/zinc/85/65/67/519856567.db2.gz QJBUVWIVYCQMQG-RDBSUJKOSA-N 2 0 267.417 1.304 10 0 CDAERP CC[NH2+]CC(C)(C)CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000062970469 519911820 /nfs/dbraw/zinc/91/18/20/519911820.db2.gz ZJXLNCGSXGYBAK-AWEZNQCLSA-N 2 0 253.434 1.792 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](CC)CCOC)O1 ZINC000052542783 519924283 /nfs/dbraw/zinc/92/42/83/519924283.db2.gz OFSLXKKSLXTLLY-KBPBESRZSA-N 2 0 258.406 1.502 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000061266055 519933216 /nfs/dbraw/zinc/93/32/16/519933216.db2.gz GURDSGIXUZYZPU-CQSZACIVSA-N 2 0 281.444 1.566 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@H](COCC[NH+]2CCCCC2)O1 ZINC000052671017 519955500 /nfs/dbraw/zinc/95/55/00/519955500.db2.gz MNSAHMLRLXTWPX-LSDHHAIUSA-N 2 0 270.417 1.646 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000061235858 519959014 /nfs/dbraw/zinc/95/90/14/519959014.db2.gz SJHPTDYYEIRHJC-ZDUSSCGKSA-N 2 0 269.433 1.563 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@H+]2C[C@@H](C)O[C@@H](C)C2)O1 ZINC000052380803 519979498 /nfs/dbraw/zinc/97/94/98/519979498.db2.gz JAAOEOHGBRDMQR-RQJABVFESA-N 2 0 256.390 1.253 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@H](CN2CC[NH+](C(C)(C)C)CC2)O1 ZINC000052571690 519980935 /nfs/dbraw/zinc/98/09/35/519980935.db2.gz ITANFVMAMKHSGC-HUUCEWRRSA-N 2 0 283.460 1.560 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000061271967 520059926 /nfs/dbraw/zinc/05/99/26/520059926.db2.gz TXSBOFNBPSYXIF-ZDUSSCGKSA-N 2 0 269.433 1.706 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000061274862 520061317 /nfs/dbraw/zinc/06/13/17/520061317.db2.gz DVVOICFGAHTFPP-STQMWFEESA-N 2 0 255.406 1.317 10 0 CDAERP CC[NH2+][C@@H](CN1CCN(CC[NH+](C)C)CC1)C(C)(C)C ZINC000061644018 520099440 /nfs/dbraw/zinc/09/94/40/520099440.db2.gz WNQHBGVNBUMPFA-HNNXBMFYSA-N 2 0 284.492 1.190 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000061271532 520171062 /nfs/dbraw/zinc/17/10/62/520171062.db2.gz PKQDBGVRTUHURK-CYBMUJFWSA-N 2 0 293.411 1.954 10 0 CDAERP CC[NH2+][C@H](C)CCCC[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061643814 520171717 /nfs/dbraw/zinc/17/17/17/520171717.db2.gz FPXQZAFMWZVNFJ-MRXNPFEDSA-N 3 0 284.492 1.334 10 0 CDAERP CC[NH2+][C@H]1CCOC[C@@H]1N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055065713 520218258 /nfs/dbraw/zinc/21/82/58/520218258.db2.gz LGBBAUDWRCVQIA-KKUMJFAQSA-N 2 0 269.433 1.170 10 0 CDAERP CCO[C@@H](C[NH3+])CC[NH+]1CCN(c2ccccc2F)CC1 ZINC000062740969 520308918 /nfs/dbraw/zinc/30/89/18/520308918.db2.gz GOFWJQRRFUVZFT-CQSZACIVSA-N 2 0 295.402 1.702 10 0 CDAERP CC1CC[NH+](CCCCNC(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000236697534 521003800 /nfs/dbraw/zinc/00/38/00/521003800.db2.gz BNCBFHAYULBBLQ-GJZGRUSLSA-N 2 0 281.444 1.742 10 0 CDAERP CCC(CC)[N@H+](CCO)Cc1cccnc1C(N)=[NH2+] ZINC000061658258 521552483 /nfs/dbraw/zinc/55/24/83/521552483.db2.gz ALXFAWPOPTZUDM-UHFFFAOYSA-N 2 0 264.373 1.349 10 0 CDAERP CC[NH+]1CCC(N(C)Cc2cc[nH+]c(NN)c2)CC1 ZINC000052720820 521563544 /nfs/dbraw/zinc/56/35/44/521563544.db2.gz QJMPYRLBETZREB-UHFFFAOYSA-N 2 0 263.389 1.283 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(C[NH3+])c2)C1 ZINC000049192139 521648018 /nfs/dbraw/zinc/64/80/18/521648018.db2.gz KWASJXRDWOEDNA-AWEZNQCLSA-N 2 0 261.369 1.359 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CNC(=O)C1CCC(C[NH3+])CC1 ZINC000055145863 521654195 /nfs/dbraw/zinc/65/41/95/521654195.db2.gz QZYPELNRJXEWSP-RUXDESIVSA-N 2 0 267.417 1.352 10 0 CDAERP CCOCC(C)(C)[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000339373145 521669740 /nfs/dbraw/zinc/66/97/40/521669740.db2.gz SHINQLCIDUAVEP-UHFFFAOYSA-N 2 0 297.443 1.134 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000061644941 521830138 /nfs/dbraw/zinc/83/01/38/521830138.db2.gz WQEORTUXVIHIEO-KBPBESRZSA-N 2 0 267.417 1.319 10 0 CDAERP C[NH+](C)Cc1ccc(C(=O)NCC(C)(C)C[NH+](C)C)cn1 ZINC000339228317 521894681 /nfs/dbraw/zinc/89/46/81/521894681.db2.gz FPUSGXAJSXOXLU-UHFFFAOYSA-N 2 0 292.427 1.461 10 0 CDAERP C[NH2+]Cc1c(C)nn(C)c1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062981873 522101540 /nfs/dbraw/zinc/10/15/40/522101540.db2.gz OCGNDXYFMBLPCQ-CYBMUJFWSA-N 2 0 277.416 1.122 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)C2CCC(C[NH3+])CC2)CC1 ZINC000055160890 522109917 /nfs/dbraw/zinc/10/99/17/522109917.db2.gz FLTVBKGWYPVMEH-WLYUNCDWSA-N 2 0 281.444 1.694 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000055072553 522124595 /nfs/dbraw/zinc/12/45/95/522124595.db2.gz YALROAOVORCUJX-KFWWJZLASA-N 2 0 253.434 1.920 10 0 CDAERP C[NH2+]Cc1ccccc1C[N@H+](C)C1CCN(C)CC1 ZINC000052419935 522133679 /nfs/dbraw/zinc/13/36/79/522133679.db2.gz KNQAZSYMUSTOMI-UHFFFAOYSA-N 2 0 261.413 1.932 10 0 CDAERP CC[C@@]1(C(=O)NC2CC[NH+](C(C)C)CC2)CCC[NH2+]C1 ZINC000062855649 523691176 /nfs/dbraw/zinc/69/11/76/523691176.db2.gz LJYJQZVQPVLFTD-MRXNPFEDSA-N 2 0 281.444 1.755 10 0 CDAERP COCC[NH2+]CC1CC[NH+](Cc2cccnc2)CC1 ZINC000053660944 523936382 /nfs/dbraw/zinc/93/63/82/523936382.db2.gz SEKVSWRNFSGSIW-UHFFFAOYSA-N 2 0 263.385 1.530 10 0 CDAERP CC[C@H](C)[N@H+](CCOC)CCn1cc(C[NH2+]C(C)C)nn1 ZINC000052547346 523938894 /nfs/dbraw/zinc/93/88/94/523938894.db2.gz LHNJFVUOFZTSTI-AWEZNQCLSA-N 2 0 297.447 1.523 10 0 CDAERP CC[C@H](C)[NH+]1CCN(CCCC[C@](C)([NH2+]C)C(N)=O)CC1 ZINC000055071098 523952574 /nfs/dbraw/zinc/95/25/74/523952574.db2.gz KEXGBSMQKUEJHY-HOCLYGCPSA-N 2 0 298.475 1.036 10 0 CDAERP C[NH+](C)CC1CC[NH+](Cc2ccoc2CN)CC1 ZINC000052515328 524049801 /nfs/dbraw/zinc/04/98/01/524049801.db2.gz WEPLEHYVCAOGNV-UHFFFAOYSA-N 2 0 251.374 1.512 10 0 CDAERP CN(CCC[NH+](C)C)c1nc(C2CC2)c(C[NH3+])s1 ZINC000069183174 524053554 /nfs/dbraw/zinc/05/35/54/524053554.db2.gz NIZTVLUXLSKMSV-UHFFFAOYSA-N 2 0 268.430 1.867 10 0 CDAERP C[C@@H]1CCC[C@H](C(=O)N2CCC([NH+](C)C)CC2)[C@@H]1[NH3+] ZINC000055128214 524344188 /nfs/dbraw/zinc/34/41/88/524344188.db2.gz IXBJTYHFMFWFJN-KWCYVHTRSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@@H]1CC[C@@H](C(=O)NCC[NH+]2CCCCCC2)C[C@@H]1[NH3+] ZINC000055136207 524558774 /nfs/dbraw/zinc/55/87/74/524558774.db2.gz ZFRWQPOQCVWSPV-KFWWJZLASA-N 2 0 281.444 1.742 10 0 CDAERP C[C@@H]1CC[C@@H]([NH3+])C[C@@H]1C(=O)NCC1CC[NH+](C)CC1 ZINC000055140202 524601775 /nfs/dbraw/zinc/60/17/75/524601775.db2.gz JXDPWAOPWDGCIM-BNOWGMLFSA-N 2 0 267.417 1.208 10 0 CDAERP C[C@H]1CN([C@@H](C[NH3+])c2ccc3ncccc3c2)CC[N@@H+]1C ZINC000069502811 524663533 /nfs/dbraw/zinc/66/35/33/524663533.db2.gz LWNDWGISYMBRGI-GUYCJALGSA-N 2 0 284.407 1.871 10 0 CDAERP C[C@@H]([NH3+])[C@H](c1cccnc1)N1CCC[C@@H]1C[NH+](C)C ZINC000061642234 525017998 /nfs/dbraw/zinc/01/79/98/525017998.db2.gz MFPMJDQLLCNSPS-BPLDGKMQSA-N 2 0 262.401 1.496 10 0 CDAERP C[C@@H]([NH3+])c1cc(F)ccc1N1CCN(CC[NH+](C)C)CC1 ZINC000061644868 525024994 /nfs/dbraw/zinc/02/49/94/525024994.db2.gz QLCCGYOSMBKNLF-CYBMUJFWSA-N 2 0 294.418 1.529 10 0 CDAERP COc1ccc([C@H](C[NH3+])N2CC[C@H]([NH+](C)C)C2)c(OC)c1 ZINC000062964763 525351178 /nfs/dbraw/zinc/35/11/78/525351178.db2.gz LJCOCRDONURAOW-WFASDCNBSA-N 2 0 293.411 1.340 10 0 CDAERP C[C@@H](NCC[NH+]1CCCCC1)[C@H]1CCC[N@H+](C)C1 ZINC000049574787 525449582 /nfs/dbraw/zinc/44/95/82/525449582.db2.gz JSTHZWRVAZOIKM-CABCVRRESA-N 2 0 253.434 1.792 10 0 CDAERP COc1ccc2c(c1)[C@@H]([NH2+]CCC[NH3+])CCCO2 ZINC000062623913 525574774 /nfs/dbraw/zinc/57/47/74/525574774.db2.gz KYWLMLHCBRAOGX-ZDUSSCGKSA-N 2 0 250.342 1.847 10 0 CDAERP Cc1ccc([C@H](C[NH3+])N2CC[NH+](CC(C)C)CC2)o1 ZINC000055077447 525951380 /nfs/dbraw/zinc/95/13/80/525951380.db2.gz RNFOMAVGEARXMI-AWEZNQCLSA-N 2 0 265.401 1.861 10 0 CDAERP Cc1nc(C)c([C@H](C)[NH2+]CCCC[NH+](C)C)c(=O)[nH]1 ZINC000045664197 526752262 /nfs/dbraw/zinc/75/22/62/526752262.db2.gz JTTBTBSOVYKWSY-JTQLQIEISA-N 2 0 266.389 1.379 10 0 CDAERP NC(=[NH2+])C[C@H](c1ccccc1)N1CC[NH+](C2CC2)CC1 ZINC000055023256 526817795 /nfs/dbraw/zinc/81/77/95/526817795.db2.gz YARWXMJQXPRWJC-OAHLLOKOSA-N 2 0 272.396 1.834 10 0 CDAERP O=C(C[C@@H]1CCCC[NH2+]1)NCCC[NH+]1CCCC1 ZINC000062080851 527110661 /nfs/dbraw/zinc/11/06/61/527110661.db2.gz AHEVZAFQQAJOPV-ZDUSSCGKSA-N 2 0 253.390 1.121 10 0 CDAERP OC1(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)CC[NH2+]CC1 ZINC000051016006 527506428 /nfs/dbraw/zinc/50/64/28/527506428.db2.gz ACMITIVCIIFAPM-KBPBESRZSA-N 2 0 252.402 1.756 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000091545130 535355278 /nfs/dbraw/zinc/35/52/78/535355278.db2.gz MDGTXYFDGCWWAR-NEPJUHHUSA-N 2 0 253.390 1.104 10 0 CDAERP CCOc1ccccc1C[NH2+][C@@H](CCC[NH3+])COC ZINC000422730092 535512688 /nfs/dbraw/zinc/51/26/88/535512688.db2.gz CZRLUXGFFIAUGS-AWEZNQCLSA-N 2 0 266.385 1.929 10 0 CDAERP COc1cc(C)nc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000213978332 536690413 /nfs/dbraw/zinc/69/04/13/536690413.db2.gz BCXSXSJWYJANCA-GFCCVEGCSA-N 2 0 263.385 1.958 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCc1ccccc1C ZINC000234786505 536850700 /nfs/dbraw/zinc/85/07/00/536850700.db2.gz LOJJKNYLBMUQQO-HNNXBMFYSA-N 2 0 250.386 1.881 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000234790007 536850975 /nfs/dbraw/zinc/85/09/75/536850975.db2.gz HHDCFUXRJLDVRL-QWHCGFSZSA-N 2 0 280.368 1.170 10 0 CDAERP [NH3+]C1(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CCCC1 ZINC000662865713 545498266 /nfs/dbraw/zinc/49/82/66/545498266.db2.gz ZUHYBSGUOGRQSK-XQQFMLRXSA-N 2 0 265.401 1.295 10 0 CDAERP COCC[N@H+](C)CCCC1CC[NH+](C[C@@H](C)CO)CC1 ZINC000122157733 538324499 /nfs/dbraw/zinc/32/44/99/538324499.db2.gz IIEQSGYZRVSWSA-OAHLLOKOSA-N 2 0 286.460 1.685 10 0 CDAERP C[NH2+][C@H]1CCCN(C(=O)c2cc(-n3ccnc3)ccn2)C1 ZINC000516925255 538432590 /nfs/dbraw/zinc/43/25/90/538432590.db2.gz JDTUTJAXLHOLIT-LBPRGKRZSA-N 2 0 285.351 1.091 10 0 CDAERP CC/C=C/CC[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001689887777 1175293659 /nfs/dbraw/zinc/29/36/59/1175293659.db2.gz PIMSTHSGCKCNOT-LLYBFZRZSA-N 2 0 281.444 1.733 10 0 CDAERP C[NH+](C)CC1(c2nc(-c3ccn4c[nH+]cc4c3)no2)CC1 ZINC000924047559 617360756 /nfs/dbraw/zinc/36/07/56/617360756.db2.gz GTSOQNSMLSDAQM-UHFFFAOYSA-N 2 0 283.335 1.978 10 0 CDAERP CC(C)C(=O)N1CCC([NH2+][C@H]2CC[NH2+]C2(C)C)CC1 ZINC000925530050 617460359 /nfs/dbraw/zinc/46/03/59/617460359.db2.gz AYPZWZSCCXFFLG-ZDUSSCGKSA-N 2 0 267.417 1.364 10 0 CDAERP CC(C)C(=O)NCCC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925626052 617573486 /nfs/dbraw/zinc/57/34/86/617573486.db2.gz NGRHHPIOFVRGFT-STQMWFEESA-N 2 0 269.433 1.644 10 0 CDAERP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925628285 617576032 /nfs/dbraw/zinc/57/60/32/617576032.db2.gz ZMSPDEGLURJAMW-RVMXOQNASA-N 2 0 267.417 1.397 10 0 CDAERP COC[C@H](C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)OC ZINC000925632145 617578996 /nfs/dbraw/zinc/57/89/96/617578996.db2.gz NZWKFFILJHPUFM-RNJOBUHISA-N 2 0 256.390 1.014 10 0 CDAERP Cn1nc(C(F)(F)F)cc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000925835902 617865426 /nfs/dbraw/zinc/86/54/26/617865426.db2.gz VATCCXRZJYEQAZ-SCZZXKLOSA-N 2 0 276.306 1.656 10 0 CDAERP CC1(C)[C@H](NC[C@@H]2CCCC[N@@H+]2CCO)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925679963 617652509 /nfs/dbraw/zinc/65/25/09/617652509.db2.gz LYOYZSYCVGEBDG-XUWVNRHRSA-N 2 0 295.471 1.199 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](O)c2c(F)cccc2F)C12CCC2 ZINC000925773528 617653494 /nfs/dbraw/zinc/65/34/94/617653494.db2.gz ZHUQDADAMBVXBH-UPJWGTAASA-N 2 0 282.334 1.858 10 0 CDAERP FC1(F)CC[NH2+]C[C@H]1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000925776563 617671314 /nfs/dbraw/zinc/67/13/14/617671314.db2.gz LXNSNJKACDUUHS-NSHDSACASA-N 2 0 290.354 1.507 10 0 CDAERP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc[nH]n3)C2)[C@@H]1C(C)C ZINC000888098041 617759705 /nfs/dbraw/zinc/75/97/05/617759705.db2.gz YFSFHKMEWRCXEX-LVQVYYBASA-N 2 0 292.427 1.369 10 0 CDAERP CCC[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccccn1 ZINC000925814081 617760400 /nfs/dbraw/zinc/76/04/00/617760400.db2.gz FMKRSTAGWMHXAC-HNNXBMFYSA-N 2 0 276.428 1.936 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC000925825527 617808033 /nfs/dbraw/zinc/80/80/33/617808033.db2.gz GAVDNRPPFSNDGA-STQMWFEESA-N 2 0 268.401 1.025 10 0 CDAERP CC(C)[C@@H]1COCC[C@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000925713273 617817850 /nfs/dbraw/zinc/81/78/50/617817850.db2.gz XAYPEUQXOQGTLG-LSDHHAIUSA-N 2 0 252.402 1.899 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000925829882 617848603 /nfs/dbraw/zinc/84/86/03/617848603.db2.gz APCLEZOGZOGBFB-MFDAYCCISA-N 2 0 266.307 1.527 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)O1)C1C[NH2+]C1 ZINC000925831289 617851599 /nfs/dbraw/zinc/85/15/99/617851599.db2.gz DCDWGGQTRTWKRK-LSJOCFKGSA-N 2 0 266.307 1.684 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000925835632 617864361 /nfs/dbraw/zinc/86/43/61/617864361.db2.gz UXZCVURUDOBCSH-ZRUFSTJUSA-N 2 0 266.307 1.956 10 0 CDAERP C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1 ZINC000925856571 617895163 /nfs/dbraw/zinc/89/51/63/617895163.db2.gz RGLLTKSLIQNFNA-MGPQQGTHSA-N 2 0 280.412 1.840 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]([NH2+]CCc2cccc3c2OCCO3)C1 ZINC000925875414 617945621 /nfs/dbraw/zinc/94/56/21/617945621.db2.gz SRFBCAWOOZMCEM-KGLIPLIRSA-N 2 0 276.380 1.860 10 0 CDAERP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925880919 617964090 /nfs/dbraw/zinc/96/40/90/617964090.db2.gz WWUWKWLAEOAMJL-HZSPNIEDSA-N 2 0 250.390 1.625 10 0 CDAERP C[C@@H]([NH3+])C[C@H](C)[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925883096 617969349 /nfs/dbraw/zinc/96/93/49/617969349.db2.gz VNDKBAAJEOTVFT-CLWVCHIJSA-N 3 0 261.413 1.761 10 0 CDAERP CN1CCC([NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)CC1 ZINC000925887433 617978661 /nfs/dbraw/zinc/97/86/61/617978661.db2.gz CXCLJWNIELXCFZ-CALCHBBNSA-N 2 0 273.424 1.729 10 0 CDAERP NC(=O)C1(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CCCC1 ZINC000925505159 618175355 /nfs/dbraw/zinc/17/53/55/618175355.db2.gz UDIOVMLPXLOXRA-LSDHHAIUSA-N 2 0 293.455 1.790 10 0 CDAERP COC[C@@H](O)C[N@@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000923424064 618329049 /nfs/dbraw/zinc/32/90/49/618329049.db2.gz FQCJDXIIUDHFAF-CWRNSKLLSA-N 2 0 284.444 1.613 10 0 CDAERP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@H](O)Cc1ccccc1)C2 ZINC000923426278 618333517 /nfs/dbraw/zinc/33/35/17/618333517.db2.gz OURAVANYGJUOSI-ARFHVFGLSA-N 2 0 260.381 1.131 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC[N@@H+]1C ZINC000928443873 619090296 /nfs/dbraw/zinc/09/02/96/619090296.db2.gz VSCHDJKAZNKWRL-FMKPAKJESA-N 2 0 293.455 1.850 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000925241234 620610253 /nfs/dbraw/zinc/61/02/53/620610253.db2.gz NZMKSPYLRGHLAG-ZACQAIPSSA-N 2 0 297.487 1.950 10 0 CDAERP C[C@@H]1[C@H](NC(=O)N(C)[C@@H]2CC[NH+](C)[C@H](C)C2)CC[N@@H+]1C ZINC000925322405 621533682 /nfs/dbraw/zinc/53/36/82/621533682.db2.gz FOCDMLWWLMMRLD-AAVRWANBSA-N 2 0 282.432 1.203 10 0 CDAERP CC(C)[C@H]1COCC[C@@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000924629675 621603836 /nfs/dbraw/zinc/60/38/36/621603836.db2.gz RNNKVBYSCALRQW-CVEARBPZSA-N 2 0 297.487 1.663 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[NH+](C)[C@@H](C(C)(C)C)C2)C1 ZINC000898384437 621720865 /nfs/dbraw/zinc/72/08/65/621720865.db2.gz RWLRGMKIHHFZJY-UONOGXRCSA-N 2 0 281.444 1.517 10 0 CDAERP C[C@@H](C(=O)N1CC([NH+]2CCCC2)C1)[NH+]1CCCCCC1 ZINC000898608786 621817272 /nfs/dbraw/zinc/81/72/72/621817272.db2.gz FPLIFCYWMIGAJR-AWEZNQCLSA-N 2 0 279.428 1.558 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)C12CC[NH+](CC1)C2 ZINC000900586463 623297335 /nfs/dbraw/zinc/29/73/35/623297335.db2.gz MBHKOFJGJOXTLC-UHFFFAOYSA-N 2 0 267.417 1.128 10 0 CDAERP C1[C@@H]2[C@H]1[C@@H]1O[C@H]2C[C@H]1[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000902453275 624836403 /nfs/dbraw/zinc/83/64/03/624836403.db2.gz OPHWQEMMDBYFJM-KEOCIWJQSA-N 2 0 276.424 1.920 10 0 CDAERP C([NH2+][C@H]1CCO[C@@]12CCOC2)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000903064251 625812570 /nfs/dbraw/zinc/81/25/70/625812570.db2.gz ALAYOYBAMJEJPZ-AEGPPILISA-N 2 0 266.385 1.008 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C2CC(CC(N)=O)C2)[C@H]2CCC[C@@H]21 ZINC000903253930 625930832 /nfs/dbraw/zinc/93/08/32/625930832.db2.gz PNDOJDBVIQQJKT-LSUUEXMVSA-N 2 0 265.401 1.103 10 0 CDAERP [NH3+]C[C@H]1CCc2ccccc2N1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903463807 625996149 /nfs/dbraw/zinc/99/61/49/625996149.db2.gz OAVDHOBAMDXRJO-VHDGCEQUSA-N 2 0 259.397 1.894 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC000903443450 625997427 /nfs/dbraw/zinc/99/74/27/625997427.db2.gz CFYGISSQBBHPRA-ARFHVFGLSA-N 3 0 265.445 1.922 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000903474225 626004713 /nfs/dbraw/zinc/00/47/13/626004713.db2.gz JHRREHZUIJELKG-WYUUTHIRSA-N 2 0 279.350 1.301 10 0 CDAERP Cc1ccc(CNC(=O)C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1 ZINC000903494567 626011316 /nfs/dbraw/zinc/01/13/16/626011316.db2.gz JYDOJSZXGNBUJM-GDBMZVCRSA-N 2 0 289.423 1.528 10 0 CDAERP CC(C)CN(C(=O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1)C1CC1 ZINC000903497000 626012159 /nfs/dbraw/zinc/01/21/59/626012159.db2.gz MTYYAHHXTCFLGH-ZIAGYGMSSA-N 2 0 281.444 1.550 10 0 CDAERP COc1coc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1=O ZINC000903496747 626012248 /nfs/dbraw/zinc/01/22/48/626012248.db2.gz BJWVTHPNARUMES-GHMZBOCLSA-N 2 0 266.341 1.065 10 0 CDAERP CCSCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903510440 626012750 /nfs/dbraw/zinc/01/27/50/626012750.db2.gz PQRYQVHNZLMIOQ-GASCZTMLSA-N 2 0 283.485 1.640 10 0 CDAERP [NH3+][C@@H]1CN(CC[C@@H]2CC[NH2+]C2)CC[C@@H]1C(F)(F)F ZINC000903539452 626015925 /nfs/dbraw/zinc/01/59/25/626015925.db2.gz IQSRSWSWUSNMKW-GARJFASQSA-N 2 0 265.323 1.198 10 0 CDAERP C([C@@H]1CCCC[NH2+]C1)N1CC[NH2+]CCC12CCC2 ZINC000903782484 626092627 /nfs/dbraw/zinc/09/26/27/626092627.db2.gz NILSXNKBRBYOJV-CQSZACIVSA-N 2 0 251.418 1.594 10 0 CDAERP C(N[C@H]1CC[NH2+]C12CCCC2)[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903784468 626093523 /nfs/dbraw/zinc/09/35/23/626093523.db2.gz PUFROXHFFBPVAC-SOUVJXGZSA-N 2 0 279.428 1.019 10 0 CDAERP c1csc(C[C@@H]2CC[N@@H+](C[C@H]3CC[NH2+]C3)C2)n1 ZINC000903831286 626107678 /nfs/dbraw/zinc/10/76/78/626107678.db2.gz GQNILCRXLVDBNO-RYUDHWBXSA-N 2 0 251.399 1.617 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCSC[C@H]2C)cnn1C ZINC000903892063 626127374 /nfs/dbraw/zinc/12/73/74/626127374.db2.gz GGSLAJPEGZSRLG-YPMHNXCESA-N 2 0 282.457 1.283 10 0 CDAERP COCC1CC[NH+](C[C@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903892599 626134737 /nfs/dbraw/zinc/13/47/37/626134737.db2.gz VGFJAIJGRMLYBC-HNNXBMFYSA-N 2 0 294.443 1.204 10 0 CDAERP OC[C@@]1([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCc2ccccc21 ZINC000903903880 626140289 /nfs/dbraw/zinc/14/02/89/626140289.db2.gz YCVCWSKEVARPHO-NZZOQPFGSA-N 2 0 286.419 1.941 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCSCC[C@H]2C)cnn1C ZINC000903908313 626142181 /nfs/dbraw/zinc/14/21/81/626142181.db2.gz GMVFTVFZDDBATA-OCCSQVGLSA-N 2 0 296.484 1.673 10 0 CDAERP C[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)(C)CN1CCOCC1 ZINC000903929839 626150575 /nfs/dbraw/zinc/15/05/75/626150575.db2.gz MKBFWKIJQSDJPJ-MQVJKMGUSA-N 2 0 295.471 1.560 10 0 CDAERP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000903931623 626151312 /nfs/dbraw/zinc/15/13/12/626151312.db2.gz GKOYUAKVJPMAJM-DZKIICNBSA-N 2 0 289.427 1.967 10 0 CDAERP C[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCC[NH2+]C1 ZINC000903918312 626157487 /nfs/dbraw/zinc/15/74/87/626157487.db2.gz WOZGHEKJEDGHBH-DYALRZPUSA-N 3 0 251.418 1.495 10 0 CDAERP FC1(F)CC[NH2+]C[C@@H]1CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000903957699 626158351 /nfs/dbraw/zinc/15/83/51/626158351.db2.gz SQKXZQPARQLKBU-AAVRWANBSA-N 2 0 287.398 1.742 10 0 CDAERP CC(C)C[C@@H]([NH3+])CN1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903959534 626159356 /nfs/dbraw/zinc/15/93/56/626159356.db2.gz JKBWSQPYUNVRPJ-CABCVRRESA-N 2 0 253.434 1.825 10 0 CDAERP C[C@H]1C[C@H](CN2CCc3sc(C[NH3+])nc3C2)CC[NH2+]1 ZINC000903944128 626162351 /nfs/dbraw/zinc/16/23/51/626162351.db2.gz GMBWIARSFVXXIL-WDEREUQCSA-N 2 0 280.441 1.348 10 0 CDAERP CCC[NH+]1CCC(NC[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000903956740 626167307 /nfs/dbraw/zinc/16/73/07/626167307.db2.gz NUUSAFKWKXSIML-LBPRGKRZSA-N 2 0 275.387 1.695 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cn(-c2ccccc2)nn1 ZINC000903974880 626169123 /nfs/dbraw/zinc/16/91/23/626169123.db2.gz VADOGTNEAPKQEV-ZIAGYGMSSA-N 2 0 285.395 1.603 10 0 CDAERP COc1cc2c(cc1C[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)OCO2 ZINC000903974804 626169151 /nfs/dbraw/zinc/16/91/51/626169151.db2.gz SXDAHOKVTXIGLP-VXGBXAGGSA-N 2 0 292.379 1.759 10 0 CDAERP C[C@@H](CC(=O)N1CCCCCC1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903968362 626172711 /nfs/dbraw/zinc/17/27/11/626172711.db2.gz UFGJJYIMBPDWAM-ILXRZTDVSA-N 2 0 281.444 1.613 10 0 CDAERP [NH3+]CC1(c2nc(CC3CC[NH2+]CC3)no2)CCCC1 ZINC000905319213 626746820 /nfs/dbraw/zinc/74/68/20/626746820.db2.gz WDOFLKQYAFJOIY-UHFFFAOYSA-N 2 0 264.373 1.382 10 0 CDAERP O=C(NC1CC([NH+]2CCCCC2)C1)C12CC[NH+](CC1)C2 ZINC000907906713 627896832 /nfs/dbraw/zinc/89/68/32/627896832.db2.gz NKKYBLMCUIMQHT-UHFFFAOYSA-N 2 0 277.412 1.215 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC000908176871 628052722 /nfs/dbraw/zinc/05/27/22/628052722.db2.gz GDLQJWPDJFLSKF-JYJNAYRXSA-N 2 0 293.455 1.994 10 0 CDAERP C[NH+](C)CCCC(C)(C)NC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000909022318 628483565 /nfs/dbraw/zinc/48/35/65/628483565.db2.gz LQUXNEREZABBDB-MRXNPFEDSA-N 2 0 299.459 1.070 10 0 CDAERP C[N@H+](CC(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1)C1CCC1 ZINC000913274968 630427421 /nfs/dbraw/zinc/42/74/21/630427421.db2.gz ROCRAFGLXTZNDD-HOTGVXAUSA-N 2 0 279.428 1.271 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000913287303 630435982 /nfs/dbraw/zinc/43/59/82/630435982.db2.gz ACEMDXNFIPZAKX-GASCZTMLSA-N 2 0 267.417 1.128 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@H](CO)Cc2ccco2)C1 ZINC000925479421 632759276 /nfs/dbraw/zinc/75/92/76/632759276.db2.gz YWVULXVDHXDWCL-MGPQQGTHSA-N 2 0 280.412 1.926 10 0 CDAERP COCCC[N@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001690983346 1158514025 /nfs/dbraw/zinc/51/40/25/1158514025.db2.gz GLPRQESRMWIDKW-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]CCC2CC2)C2CC2)C1 ZINC001670557677 1158645924 /nfs/dbraw/zinc/64/59/24/1158645924.db2.gz WAFAUDNJYNQAAX-GJZGRUSLSA-N 2 0 279.428 1.223 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](CCOC[C@H]2CCCO2)C1 ZINC000866707068 694874499 /nfs/dbraw/zinc/87/44/99/694874499.db2.gz SFRLRTJPEOUEJK-ZBFHGGJFSA-N 2 0 284.444 1.879 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C=C1CC[NH2+]CC1 ZINC000852862300 693878942 /nfs/dbraw/zinc/87/89/42/693878942.db2.gz ZAEGPIQTNPCXGJ-KGLIPLIRSA-N 2 0 279.428 1.533 10 0 CDAERP C[C@@H]1C[N@@H+]([C@H]2CCN(c3ccccc3)C2=O)CC[C@@H]1C[NH3+] ZINC000923498685 693895653 /nfs/dbraw/zinc/89/56/53/693895653.db2.gz KVGVHBGKEJNITA-FMKPAKJESA-N 2 0 287.407 1.709 10 0 CDAERP C[C@H]1CC[N@H+](CCNC(=[NH2+])NC2CCCCC2)C1 ZINC000849004131 693946102 /nfs/dbraw/zinc/94/61/02/693946102.db2.gz AEKHVNVNNZRUEZ-LBPRGKRZSA-N 2 0 252.406 1.775 10 0 CDAERP C[NH+](C)CC1(C[NH2+]C[C@H](O)CC(C)(C)O)CCCC1 ZINC000872206366 694027823 /nfs/dbraw/zinc/02/78/23/694027823.db2.gz UWKIHEZAPCQWDO-CYBMUJFWSA-N 2 0 272.433 1.220 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000925326052 694036161 /nfs/dbraw/zinc/03/61/61/694036161.db2.gz KPKUIYCKPWMJBW-KFWWJZLASA-N 2 0 294.443 1.206 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCCN2CCCC2=O)C1 ZINC000925517660 694098657 /nfs/dbraw/zinc/09/86/57/694098657.db2.gz XRBDHWIFQDMNMM-QWHCGFSZSA-N 2 0 267.417 1.495 10 0 CDAERP COc1cc([C@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)on1 ZINC000926684850 694113544 /nfs/dbraw/zinc/11/35/44/694113544.db2.gz HPKAQUWHYKPLPL-STQMWFEESA-N 2 0 298.431 1.606 10 0 CDAERP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000713008251 694159180 /nfs/dbraw/zinc/15/91/80/694159180.db2.gz JMANGYHCRPDJMJ-ZIAGYGMSSA-N 2 0 283.460 1.987 10 0 CDAERP C[C@H](Cn1cccn1)[NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923378067 688207553 /nfs/dbraw/zinc/20/75/53/688207553.db2.gz ZJFZIRWXTJTXOH-FFHGMXDLSA-N 2 0 262.401 1.782 10 0 CDAERP Cn1nnc2c1C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)CC2 ZINC000922992461 688252579 /nfs/dbraw/zinc/25/25/79/688252579.db2.gz PTBSKSLTDQTYNZ-VXGBXAGGSA-N 2 0 277.416 1.135 10 0 CDAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCOC(F)F)[C@@H](C)C1 ZINC000850521054 688265156 /nfs/dbraw/zinc/26/51/56/688265156.db2.gz AEXWYKGDPVQWSM-QWHCGFSZSA-N 2 0 294.386 1.952 10 0 CDAERP CN(C)c1ccncc1C[NH2+]CCOC1CCOCC1 ZINC000922931046 688298733 /nfs/dbraw/zinc/29/87/33/688298733.db2.gz YVESHQRWDQGSAG-UHFFFAOYSA-N 2 0 279.384 1.433 10 0 CDAERP C[C@@H]1C[N@H+](CCCN[C@H]2C[C@@H]([NH3+])C23CCC3)CCCO1 ZINC000925651501 688317708 /nfs/dbraw/zinc/31/77/08/688317708.db2.gz DQKSYPIYYGZKIO-KFWWJZLASA-N 2 0 281.444 1.347 10 0 CDAERP COC(=O)c1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)n(C)c1C ZINC000925765645 688319431 /nfs/dbraw/zinc/31/94/31/688319431.db2.gz FXSPDUZGSNQHQQ-ZIAGYGMSSA-N 2 0 291.395 1.480 10 0 CDAERP C[N@@H+]1CCN(C(=O)[C@]23CCC[C@H]2C[NH2+]C3)CCC1(C)C ZINC000712619527 688345289 /nfs/dbraw/zinc/34/52/89/688345289.db2.gz WBBBUOZFVYCEDJ-BBRMVZONSA-N 2 0 279.428 1.319 10 0 CDAERP C[C@@H]1C[C@H]1NC(=[NH2+])NCC(C)(C)[NH+]1CCCCC1 ZINC000864452716 688354472 /nfs/dbraw/zinc/35/44/72/688354472.db2.gz RXXAHYIOJJJLHH-VXGBXAGGSA-N 2 0 252.406 1.773 10 0 CDAERP C[NH2+]C[C@@H]1CCN(C[C@H]2CC[C@H](C(F)(F)F)O2)C1 ZINC000721440599 688392802 /nfs/dbraw/zinc/39/28/02/688392802.db2.gz CNEVZWLNJNQLLZ-HBNTYKKESA-N 2 0 266.307 1.638 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@]23OCCC[C@H]2C3(F)F)C1 ZINC000854229274 688465661 /nfs/dbraw/zinc/46/56/61/688465661.db2.gz JTKKNWOXMZPNJJ-KXNHARMFSA-N 2 0 260.328 1.660 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)C=C2CC[NH2+]CC2)C1 ZINC000852861252 688475220 /nfs/dbraw/zinc/47/52/20/688475220.db2.gz AAUWTRQRVKTKFB-CQSZACIVSA-N 2 0 265.401 1.143 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCN2CCOCC2(C)C)C1 ZINC000925476773 688477663 /nfs/dbraw/zinc/47/76/63/688477663.db2.gz HVUXNUTZMFSGQC-KBPBESRZSA-N 2 0 283.460 1.593 10 0 CDAERP CON1CCC([NH2+]C2CCC(C)([NH+](C)C)CC2)CC1 ZINC000715559592 688558713 /nfs/dbraw/zinc/55/87/13/688558713.db2.gz UPHCDDZOKQGPCO-UHFFFAOYSA-N 2 0 269.433 1.865 10 0 CDAERP Cc1cnccc1C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923447760 694212775 /nfs/dbraw/zinc/21/27/75/694212775.db2.gz WJTYHEJLBLEWHC-OAHLLOKOSA-N 2 0 275.396 1.720 10 0 CDAERP CSCC[C@@H]([NH3+])C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000870994924 688661444 /nfs/dbraw/zinc/66/14/44/688661444.db2.gz YFKKVBACJTYAJV-RISCZKNCSA-N 2 0 287.473 1.290 10 0 CDAERP COC[C@@]1(C(=O)OC)CCC[N@@H+]1CCCCCC[NH3+] ZINC000852760119 688675603 /nfs/dbraw/zinc/67/56/03/688675603.db2.gz ASMMTGOMLZYOKP-CQSZACIVSA-N 2 0 272.389 1.160 10 0 CDAERP C[C@H](C1CC1)[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923305223 688698156 /nfs/dbraw/zinc/69/81/56/688698156.db2.gz LDWCSUKRZXDEIL-RISCZKNCSA-N 2 0 250.386 1.628 10 0 CDAERP COC[C@H](C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1)OC ZINC000852007707 688702707 /nfs/dbraw/zinc/70/27/07/688702707.db2.gz QQHSONIFUIZRAZ-AWEZNQCLSA-N 2 0 270.417 1.456 10 0 CDAERP [NH3+]CCCOC1CC[NH+](CCc2ccns2)CC1 ZINC000719861611 688704702 /nfs/dbraw/zinc/70/47/02/688704702.db2.gz NJWVVFYZVPNPSH-UHFFFAOYSA-N 2 0 269.414 1.515 10 0 CDAERP O=C(CC[NH2+]CC1CC1)NC1CC([NH+]2CCCCC2)C1 ZINC000870926501 688769457 /nfs/dbraw/zinc/76/94/57/688769457.db2.gz FRCVVPNUWANSRW-UHFFFAOYSA-N 2 0 279.428 1.509 10 0 CDAERP C[C@@H]1C[C@@H]([N@H+](C)CCCNC(=O)C(F)(F)F)CCN1C ZINC000091589288 688813582 /nfs/dbraw/zinc/81/35/82/688813582.db2.gz QPXPGJYVHMHVQG-MNOVXSKESA-N 2 0 295.349 1.470 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCC2(C)OCCO2)CC1(C)C ZINC000858156877 688815065 /nfs/dbraw/zinc/81/50/65/688815065.db2.gz PHTHDPHZXLYULD-LBPRGKRZSA-N 2 0 256.390 1.602 10 0 CDAERP C[C@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1cccc(C[NH+](C)C)c1 ZINC000926755512 688815144 /nfs/dbraw/zinc/81/51/44/688815144.db2.gz PGIVBQVNMXLMJI-CQDKDKBSSA-N 2 0 275.396 1.663 10 0 CDAERP CNC(=O)CC1(C[NH2+][C@@H]2CC[NH2+]C23CCC3)CCCCC1 ZINC000925718211 688853998 /nfs/dbraw/zinc/85/39/98/688853998.db2.gz YFFORBKTGHUUTK-CQSZACIVSA-N 2 0 293.455 1.947 10 0 CDAERP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)C1CC[NH2+]CC1 ZINC000925728584 688855076 /nfs/dbraw/zinc/85/50/76/688855076.db2.gz LEDLCUKQMUSOEE-IACUBPJLSA-N 3 0 253.434 1.870 10 0 CDAERP C[NH2+]CCc1ccccc1-c1nc(Cc2cncn2C)no1 ZINC000822891195 688871664 /nfs/dbraw/zinc/87/16/64/688871664.db2.gz IAKSCZWOPVPGLN-UHFFFAOYSA-N 2 0 297.362 1.823 10 0 CDAERP CCO[C@H](CC[NH+](C)C)CNC(=[NH2+])N1CC[C@@H](CC)C1 ZINC000864459187 694249787 /nfs/dbraw/zinc/24/97/87/694249787.db2.gz CKIVQKGGAXGKOI-ZIAGYGMSSA-N 2 0 284.448 1.599 10 0 CDAERP [NH3+]CCCCCCC[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872150218 694254670 /nfs/dbraw/zinc/25/46/70/694254670.db2.gz DVLRSBYOCJEDBU-NEPJUHHUSA-N 3 0 281.366 1.965 10 0 CDAERP CC1([NH+]2CCCCC2)CCN(C[C@H]2C[NH2+]CCO2)CC1 ZINC000872146553 694277282 /nfs/dbraw/zinc/27/72/82/694277282.db2.gz QTTMPUIJQRXGIS-OAHLLOKOSA-N 2 0 281.444 1.315 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)N2C[C@@H](C)C[C@H](C)C2)C[C@H]1CC[NH3+] ZINC000723887094 694301661 /nfs/dbraw/zinc/30/16/61/694301661.db2.gz QKDHLKALQPKZOY-BYNSBNAKSA-N 2 0 281.444 1.408 10 0 CDAERP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857854360 694338545 /nfs/dbraw/zinc/33/85/45/694338545.db2.gz LBKAPZWDTWPOMD-HUUCEWRRSA-N 2 0 292.427 1.614 10 0 CDAERP CC[C@H]([NH2+]C)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000870989305 694338892 /nfs/dbraw/zinc/33/88/92/694338892.db2.gz HHXYFKXHGWUKSA-FZMZJTMJSA-N 2 0 255.406 1.208 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCC[NH+]3CCSC[C@H]23)C1 ZINC000928080896 694342091 /nfs/dbraw/zinc/34/20/91/694342091.db2.gz RANQGBYUSJDROM-MGPQQGTHSA-N 2 0 297.468 1.024 10 0 CDAERP CC(C)CO[C@H]1C[C@@H]([NH2+]CCN2CCC([NH3+])CC2)C1(C)C ZINC000925813356 692218603 /nfs/dbraw/zinc/21/86/03/692218603.db2.gz UHOOMXDTSYPVJO-CVEARBPZSA-N 2 0 297.487 1.839 10 0 CDAERP [NH3+]CCCOC1CC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923299058 692249095 /nfs/dbraw/zinc/24/90/95/692249095.db2.gz WYIYDGNXFWKFFV-MQVJKMGUSA-N 3 0 295.471 1.737 10 0 CDAERP C[N@H+](CCCCNC(=[NH2+])NC[C@@H]1CCCO1)C1CC1 ZINC000849039787 692294333 /nfs/dbraw/zinc/29/43/33/692294333.db2.gz RPHKTXQYGFIEHO-ZDUSSCGKSA-N 2 0 268.405 1.154 10 0 CDAERP Cn1nccc1[C@@H](O)C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925889258 692328172 /nfs/dbraw/zinc/32/81/72/692328172.db2.gz JHBAULUPXZSYRE-HOCLYGCPSA-N 2 0 288.395 1.523 10 0 CDAERP C[C@H]([NH2+]C/C=C/C[NH2+][C@@H](C)c1cn[nH]c1)c1cn[nH]c1 ZINC000778141046 692337041 /nfs/dbraw/zinc/33/70/41/692337041.db2.gz SYZHKJDLAGSHJK-QSKOYVBTSA-N 2 0 274.372 1.690 10 0 CDAERP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)[C@H]1CCOC1 ZINC000925782012 692347080 /nfs/dbraw/zinc/34/70/80/692347080.db2.gz JUSXWXWWSPDVIZ-TUAOUCFPSA-N 2 0 262.344 1.636 10 0 CDAERP C[C@H](c1cccc(O)c1)[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923313714 692351541 /nfs/dbraw/zinc/35/15/41/692351541.db2.gz XFHAMLGXTMWKHY-IUODEOHRSA-N 2 0 276.380 1.764 10 0 CDAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1cc3n(n1)CCC3)CC2 ZINC000923450467 692360040 /nfs/dbraw/zinc/36/00/40/692360040.db2.gz GVKXGNQZKMHQBK-HNNXBMFYSA-N 2 0 290.411 1.159 10 0 CDAERP C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923513553 692380067 /nfs/dbraw/zinc/38/00/67/692380067.db2.gz JBTJJQJLCYXNNN-ARILJUKYSA-N 2 0 281.444 1.406 10 0 CDAERP CCO[C@H](CN[C@H](C)c1c[nH+]ccc1N)C[NH+](C)C ZINC000925838978 692390464 /nfs/dbraw/zinc/39/04/64/692390464.db2.gz OJHBJVFHJRRRLW-VXGBXAGGSA-N 2 0 266.389 1.111 10 0 CDAERP CCO[C@H](CN[C@H]1CC[N@H+](CC)C[C@H]1C)C[NH+](C)C ZINC000926966864 692392615 /nfs/dbraw/zinc/39/26/15/692392615.db2.gz YLXKIVDIIGGKDH-KFWWJZLASA-N 2 0 271.449 1.273 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000866709344 692397055 /nfs/dbraw/zinc/39/70/55/692397055.db2.gz WMCGZSAAGPNJHO-ZFWWWQNUSA-N 2 0 253.434 1.683 10 0 CDAERP Cc1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923412896 692398811 /nfs/dbraw/zinc/39/88/11/692398811.db2.gz ZUQCYTLMQWATMF-RBSFLKMASA-N 2 0 278.396 1.261 10 0 CDAERP C[C@H]([NH3+])CN(C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000861615248 692408537 /nfs/dbraw/zinc/40/85/37/692408537.db2.gz INMYIYWXCONZDM-CFVMTHIKSA-N 2 0 290.411 1.420 10 0 CDAERP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)C(C)(C)CO ZINC000924634762 692457725 /nfs/dbraw/zinc/45/77/25/692457725.db2.gz DQPXDDPXTFZLKN-ZDUSSCGKSA-N 2 0 271.449 1.009 10 0 CDAERP COCCC[N@H+](CCOC)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000093678146 692491791 /nfs/dbraw/zinc/49/17/91/692491791.db2.gz ZHTNGMOFYVNWID-MQVJKMGUSA-N 2 0 284.444 1.892 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCCN2CCSC[C@@H]12 ZINC000925826956 692545597 /nfs/dbraw/zinc/54/55/97/692545597.db2.gz PHROCBOWJJVCRB-RVMXOQNASA-N 2 0 257.447 1.282 10 0 CDAERP C[C@]1(C(F)(F)F)C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000712720891 692586902 /nfs/dbraw/zinc/58/69/02/692586902.db2.gz OBACNKQEJGVJEZ-OUAUKWLOSA-N 2 0 266.307 1.767 10 0 CDAERP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H](O)C2(O)CCC2)CC1 ZINC000929504834 692604956 /nfs/dbraw/zinc/60/49/56/692604956.db2.gz BQCLOCDEDOGBEU-OAHLLOKOSA-N 2 0 284.444 1.315 10 0 CDAERP Cn1cc(C[NH2+]CCN2CCC([NH+](C)C)CC2)c(Cl)n1 ZINC000856772376 692688768 /nfs/dbraw/zinc/68/87/68/692688768.db2.gz YCGZJKSSKYSJLN-UHFFFAOYSA-N 2 0 299.850 1.189 10 0 CDAERP NC(=O)CC1([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000921970249 692704667 /nfs/dbraw/zinc/70/46/67/692704667.db2.gz KCHDESNJTICYTJ-RYUDHWBXSA-N 2 0 251.374 1.001 10 0 CDAERP CCCn1ncnc1C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923453477 694546423 /nfs/dbraw/zinc/54/64/23/694546423.db2.gz XCUQKMYHVLAXHU-ZDUSSCGKSA-N 2 0 293.415 1.018 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925546928 692748407 /nfs/dbraw/zinc/74/84/07/692748407.db2.gz LDHDKJYMLLTQPA-PMPSAXMXSA-N 3 0 296.503 1.508 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1C[NH2+]CC1(C)C)C[NH+]1CCCCC1 ZINC000711235984 692787900 /nfs/dbraw/zinc/78/79/00/692787900.db2.gz GUWOQTNNLGPIST-KGLIPLIRSA-N 2 0 281.444 1.470 10 0 CDAERP COc1cccc(CN2CC[NH2+]CC[NH2+]CC2)c1Cl ZINC000923459472 692798075 /nfs/dbraw/zinc/79/80/75/692798075.db2.gz BYVPBTQAPMRIOJ-UHFFFAOYSA-N 2 0 283.803 1.343 10 0 CDAERP C[NH2+]CC1CC[NH+](C[C@@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000715518361 692803196 /nfs/dbraw/zinc/80/31/96/692803196.db2.gz KAGDZILCKHYNRQ-GJZGRUSLSA-N 2 0 252.402 1.875 10 0 CDAERP COc1ccccc1CC[N@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923311083 692812949 /nfs/dbraw/zinc/81/29/49/692812949.db2.gz GUSQPNWPGVGTAN-IHRRRGAJSA-N 2 0 264.369 1.020 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCCCCCC[NH3+])C2 ZINC000861647986 692815125 /nfs/dbraw/zinc/81/51/25/692815125.db2.gz ONCPJDTXZOXQSN-GASCZTMLSA-N 2 0 282.432 1.147 10 0 CDAERP CCC1([NH+](C)C)CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000715261933 694616812 /nfs/dbraw/zinc/61/68/12/694616812.db2.gz DTAYNZSTSJVWKN-KGLIPLIRSA-N 3 0 253.434 1.920 10 0 CDAERP C[C@H]([NH2+][C@H]1CNOC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000925866395 692833908 /nfs/dbraw/zinc/83/39/08/692833908.db2.gz BYBVCKZZVRODOE-JSGCOSHPSA-N 2 0 279.384 1.181 10 0 CDAERP C([NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)C1CC[NH2+]CC1 ZINC000723648979 692838413 /nfs/dbraw/zinc/83/84/13/692838413.db2.gz XRQYJGOLFZNLQK-QLFBSQMISA-N 2 0 252.402 1.781 10 0 CDAERP CC(C)C[C@@H](CNC(=O)[C@H]1C[NH2+]CC1(C)C)[NH+](C)C ZINC000711347202 692863829 /nfs/dbraw/zinc/86/38/29/692863829.db2.gz OLRFNANVOBDEOD-QWHCGFSZSA-N 2 0 269.433 1.325 10 0 CDAERP O[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000923366687 692866480 /nfs/dbraw/zinc/86/64/80/692866480.db2.gz OKQUYJXCAMDIAQ-IRXDYDNUSA-N 2 0 274.408 1.666 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@@H]2CCCc3c(O)cccc32)CC1 ZINC000925817076 692878178 /nfs/dbraw/zinc/87/81/78/692878178.db2.gz MTMZHFVDBVJZCT-MRXNPFEDSA-N 2 0 289.423 1.782 10 0 CDAERP Cc1cncc([C@H]2CCC[N@@H+]2CCN2CC[NH2+]CC2)c1 ZINC000866719589 692882739 /nfs/dbraw/zinc/88/27/39/692882739.db2.gz ALFHNDSVWAXWOL-MRXNPFEDSA-N 2 0 274.412 1.432 10 0 CDAERP O=C(CCCC[NH+]1CCCC1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000844196682 692902311 /nfs/dbraw/zinc/90/23/11/692902311.db2.gz KZLPBXZUAPVCGI-KRWDZBQOSA-N 2 0 293.455 1.855 10 0 CDAERP CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)CC)[C@@H]1CCCOC1 ZINC000724004354 692905662 /nfs/dbraw/zinc/90/56/62/692905662.db2.gz RAZLEEYLZNYBIL-RDBSUJKOSA-N 2 0 258.406 1.094 10 0 CDAERP CCO[C@H](C[NH2+]C1CCC(CNC(C)=O)CC1)CN(C)C ZINC000922756627 692924189 /nfs/dbraw/zinc/92/41/89/692924189.db2.gz QTRMNDPOWZTIAL-UYSNPLJNSA-N 2 0 299.459 1.238 10 0 CDAERP COC[C@@H](C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1)C(C)C ZINC000930556374 692927538 /nfs/dbraw/zinc/92/75/38/692927538.db2.gz WCZJJYYNEPMUMQ-HUUCEWRRSA-N 2 0 254.418 1.933 10 0 CDAERP C[C@@H]1[C@H](NC(=O)N2CCC[C@H]3C[NH+](C)CC[C@@H]32)CC[N@@H+]1C ZINC000925333939 692927638 /nfs/dbraw/zinc/92/76/38/692927638.db2.gz YBKKPDANJXYHSY-BARDWOONSA-N 2 0 294.443 1.205 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)OC1CCCC1 ZINC000849424207 692928558 /nfs/dbraw/zinc/92/85/58/692928558.db2.gz WYMUPSYUZZIWEF-ZDUSSCGKSA-N 2 0 285.432 1.927 10 0 CDAERP C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925881706 694561958 /nfs/dbraw/zinc/56/19/58/694561958.db2.gz DSDFGDONBUBGHR-MJBXVCDLSA-N 2 0 296.436 1.566 10 0 CDAERP C[C@@H]1C[N@H+](Cc2cc(-c3cnn(C)c3)no2)CC[C@H]1C[NH3+] ZINC000923493853 692961677 /nfs/dbraw/zinc/96/16/77/692961677.db2.gz ISPHABHMAJNATA-NEPJUHHUSA-N 2 0 289.383 1.492 10 0 CDAERP CO[C@H]1C[C@@H](C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000872145870 692976221 /nfs/dbraw/zinc/97/62/21/692976221.db2.gz XNVNIPNPIOWRQR-AALSBFMBSA-N 2 0 282.428 1.772 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](NC2[C@@H]3CC[C@H]2C[N@@H+](C)C3)C1 ZINC000925218980 692976609 /nfs/dbraw/zinc/97/66/09/692976609.db2.gz BBAJJAZMHMZDQF-AFLMIKJESA-N 2 0 265.445 1.789 10 0 CDAERP Cn1ccc(C[N@H+](C)CCCCCC[NH3+])cc1=O ZINC000872155154 692984534 /nfs/dbraw/zinc/98/45/34/692984534.db2.gz DTTLPKULLWEDLF-UHFFFAOYSA-N 2 0 251.374 1.336 10 0 CDAERP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC000925825477 692986718 /nfs/dbraw/zinc/98/67/18/692986718.db2.gz FAYGLCAWERMPQT-ZIAGYGMSSA-N 2 0 282.428 1.558 10 0 CDAERP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cn1 ZINC000925775877 693003568 /nfs/dbraw/zinc/00/35/68/693003568.db2.gz HWOMMVBDCATGSI-DGCLKSJQSA-N 2 0 299.365 1.856 10 0 CDAERP C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723887617 693026497 /nfs/dbraw/zinc/02/64/97/693026497.db2.gz WASUQHPQOGFKHR-GRYCIOLGSA-N 2 0 255.406 1.206 10 0 CDAERP C[NH+](C)Cc1ccc(C[N@H+](C)[C@@H]2CCCNC2=O)cc1 ZINC000783740799 693040823 /nfs/dbraw/zinc/04/08/23/693040823.db2.gz MVKQFOZMOMJIDG-OAHLLOKOSA-N 2 0 275.396 1.459 10 0 CDAERP C[C@@H]1CC[C@H](C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)O1 ZINC000923443588 693057541 /nfs/dbraw/zinc/05/75/41/693057541.db2.gz GCKHERYTGDVTNL-MCIONIFRSA-N 2 0 268.401 1.384 10 0 CDAERP CC[NH2+]CCNC(=O)C[C@@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000841846364 693060890 /nfs/dbraw/zinc/06/08/90/693060890.db2.gz IVKMSXJMDGKDIB-LLVKDONJSA-N 2 0 284.791 1.159 10 0 CDAERP c1ccc2cc(CCN3CC[NH2+]CC[NH2+]CC3)ccc2c1 ZINC000923460581 693086326 /nfs/dbraw/zinc/08/63/26/693086326.db2.gz GWBKGSIYRXNWBC-UHFFFAOYSA-N 2 0 283.419 1.877 10 0 CDAERP CC(C)(C)[C@H](Cn1ccnc1)NC(=O)CCC1C[NH2+]C1 ZINC000709500504 693093090 /nfs/dbraw/zinc/09/30/90/693093090.db2.gz CURVZFDNSRBMCL-ZDUSSCGKSA-N 2 0 278.400 1.414 10 0 CDAERP CCC1([NH3+])CCN([C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000714759019 693101866 /nfs/dbraw/zinc/10/18/66/693101866.db2.gz QFWLHSFTGJYJAU-GXTWGEPZSA-N 2 0 251.418 1.815 10 0 CDAERP CO[C@H](CC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)C(F)(F)F ZINC000925646626 693109330 /nfs/dbraw/zinc/10/93/30/693109330.db2.gz VSSWATZUSBNPIX-KXUCPTDWSA-N 2 0 266.307 1.813 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H](O)c1ccsc1 ZINC000925108920 693161345 /nfs/dbraw/zinc/16/13/45/693161345.db2.gz IHJRSJMSFZMKMQ-QZGMINCNSA-N 2 0 266.410 1.711 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=[NH2+])NCCc2ccccc2)C1 ZINC000849049794 693165419 /nfs/dbraw/zinc/16/54/19/693165419.db2.gz SASQMSDWVILSJT-GASCZTMLSA-N 2 0 274.412 1.683 10 0 CDAERP C[C@@H]1C[N@H+](Cc2nc(-c3ccco3)no2)CC[C@H]1C[NH3+] ZINC000923502559 693206930 /nfs/dbraw/zinc/20/69/30/693206930.db2.gz ZZWOXJGOXHWEQK-MNOVXSKESA-N 2 0 276.340 1.746 10 0 CDAERP CC(C)[NH+](CCNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)C(C)C ZINC000715206416 693226562 /nfs/dbraw/zinc/22/65/62/693226562.db2.gz FUHAYGPYJXRRSI-QWRGUYRKSA-N 2 0 277.359 1.061 10 0 CDAERP CCCCOC(=O)CC[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923494722 693232250 /nfs/dbraw/zinc/23/22/50/693232250.db2.gz NSVRSYFHFRXGQX-CHWSQXEVSA-N 2 0 256.390 1.637 10 0 CDAERP C[C@@H]([NH2+]CC[C@H]1CCC2(CCOCC2)CO1)C1C[NH2+]C1 ZINC000925773746 693260141 /nfs/dbraw/zinc/26/01/41/693260141.db2.gz OXSLRYPVCXGKPM-UKRRQHHQSA-N 2 0 282.428 1.550 10 0 CDAERP CCC(CC)[C@H](CNC(=[NH2+])N[C@H]1C[C@@H]1C)[NH+](C)C ZINC000864450062 693319129 /nfs/dbraw/zinc/31/91/29/693319129.db2.gz DEABIGQLGVMGTP-DRZSPHRISA-N 2 0 254.422 1.875 10 0 CDAERP [NH3+][C@@H]1C[C@@H](NC[C@@H]2CCCC[N@@H+]2C2CC2)C12CCC2 ZINC000925652745 693323728 /nfs/dbraw/zinc/32/37/28/693323728.db2.gz SJUXFDDHWPDYNT-RRFJBIMHSA-N 2 0 263.429 1.863 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1C[C@H]1C1CC1 ZINC000849038010 693324759 /nfs/dbraw/zinc/32/47/59/693324759.db2.gz GZQVGXCMWIZVOZ-MJBXVCDLSA-N 2 0 264.417 1.631 10 0 CDAERP CN1C[C@H](CC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1=O ZINC000922484255 693325702 /nfs/dbraw/zinc/32/57/02/693325702.db2.gz IEULDRYPPLKDEA-CYBMUJFWSA-N 2 0 299.378 1.225 10 0 CDAERP CC[N@H+](CC(=O)N[C@@H]1CCCN2CCSC[C@H]12)C1CC1 ZINC000928105343 693329180 /nfs/dbraw/zinc/32/91/80/693329180.db2.gz RYNMZWMOUCRKCD-ZIAGYGMSSA-N 2 0 297.468 1.167 10 0 CDAERP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925607600 694640352 /nfs/dbraw/zinc/64/03/52/694640352.db2.gz WERMAFHQHIWWDD-CABCVRRESA-N 3 0 296.503 1.508 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CCC2(CCOCC2)CO1 ZINC000925736686 693370151 /nfs/dbraw/zinc/37/01/51/693370151.db2.gz NJAXKTBEDLYNPZ-MELADBBJSA-N 2 0 270.417 1.678 10 0 CDAERP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000925829103 693377509 /nfs/dbraw/zinc/37/75/09/693377509.db2.gz BGIJGHDNOQWHMD-ZQNQSHIBSA-N 2 0 250.386 1.827 10 0 CDAERP CCCn1cc([C@H](C)[NH2+]CCCn2ccnc2)nn1 ZINC000715854629 693388107 /nfs/dbraw/zinc/38/81/07/693388107.db2.gz VVKYEXYPXIKFNB-LBPRGKRZSA-N 2 0 262.361 1.626 10 0 CDAERP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]CCC[NH3+])C1 ZINC000817938087 693396770 /nfs/dbraw/zinc/39/67/70/693396770.db2.gz DEHOQQFJQVJPBH-NXEZZACHSA-N 2 0 264.316 1.292 10 0 CDAERP CO[C@@H]1CCC[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)CC1 ZINC000718865437 694678985 /nfs/dbraw/zinc/67/89/85/694678985.db2.gz MICADOPMMWYNQA-UONOGXRCSA-N 2 0 270.417 1.380 10 0 CDAERP C[C@H]1C[N@H+](CC(=O)N(C)CC2CCCCC2)CC[C@H]1C[NH3+] ZINC000923502245 693413597 /nfs/dbraw/zinc/41/35/97/693413597.db2.gz YHBDGSBDNIJEHK-HOCLYGCPSA-N 2 0 295.471 1.942 10 0 CDAERP [NH3+]CC[C@H]1CC[N@H+](CC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000723696369 694688059 /nfs/dbraw/zinc/68/80/59/694688059.db2.gz UVJSKJDSTJFPKA-JTQLQIEISA-N 2 0 283.322 1.574 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925667136 694688278 /nfs/dbraw/zinc/68/82/78/694688278.db2.gz ANQYELONRNAAJF-BFHYXJOUSA-N 2 0 251.418 1.720 10 0 CDAERP CCn1cc(CC[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)cn1 ZINC000923447462 693435688 /nfs/dbraw/zinc/43/56/88/693435688.db2.gz TZMOREZKVDMNRA-OAHLLOKOSA-N 2 0 292.427 1.275 10 0 CDAERP COC[C@H](C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1)C(C)C ZINC000931067873 693473928 /nfs/dbraw/zinc/47/39/28/693473928.db2.gz UCDOAIWBQBHNTO-GOEBONIOSA-N 2 0 284.444 1.436 10 0 CDAERP COCCNC(=O)[C@H](CC(C)C)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925635235 693482244 /nfs/dbraw/zinc/48/22/44/693482244.db2.gz SQTDFWKZQGPLRP-MJBXVCDLSA-N 2 0 297.443 1.023 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@]1(O)CCc2ccccc21 ZINC000817918120 694783528 /nfs/dbraw/zinc/78/35/28/694783528.db2.gz SZXLIYHVYISMGM-HOCLYGCPSA-N 2 0 278.396 1.164 10 0 CDAERP C[N@H+](C[C@@H]1COc2ccccc2O1)[C@@H]1CCC[NH2+]CC1 ZINC000226466252 694793660 /nfs/dbraw/zinc/79/36/60/694793660.db2.gz XLJFIQMFCQHNAU-ZIAGYGMSSA-N 2 0 276.380 1.900 10 0 CDAERP C(C[C@H]1CCSC1)[NH2+][C@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000873236328 694804733 /nfs/dbraw/zinc/80/47/33/694804733.db2.gz WHQYNIUUIOBAMI-AJNGGQMLSA-N 2 0 284.469 1.876 10 0 CDAERP O=C1O[C@@H](C[NH2+]C2CCC3(CC3)CC2)CC12CC[NH2+]CC2 ZINC000925849031 694817178 /nfs/dbraw/zinc/81/71/78/694817178.db2.gz GKMAHXBLGHCTSN-CQSZACIVSA-N 2 0 292.423 1.984 10 0 CDAERP C[NH+](C)C[C@H]1COC2(CCCC2)CN1CC[NH+]1CCCC1 ZINC000931088403 694818781 /nfs/dbraw/zinc/81/87/81/694818781.db2.gz HIIOEQFOIYKXSD-INIZCTEOSA-N 2 0 295.471 1.657 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)CC1(C)C ZINC000865690811 694820335 /nfs/dbraw/zinc/82/03/35/694820335.db2.gz NQVWMSFKPBPWEZ-UQGHGMQMSA-N 2 0 264.413 1.872 10 0 CDAERP CN(CC[C@H]1CCCC[N@@H+]1C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923324723 694823759 /nfs/dbraw/zinc/82/37/59/694823759.db2.gz JRCFYUJPVRJNPR-CABCVRRESA-N 2 0 281.444 1.171 10 0 CDAERP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000869778645 694614825 /nfs/dbraw/zinc/61/48/25/694614825.db2.gz MLRAWSSPAAXWQG-STQMWFEESA-N 2 0 299.459 1.115 10 0 CDAERP CCOC1CC(O)(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925657551 694634278 /nfs/dbraw/zinc/63/42/78/694634278.db2.gz CRKDTNVYOQGGBY-HJZMNPPUSA-N 2 0 270.417 1.412 10 0 CDAERP CCCCCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC)C1 ZINC000839898408 694635560 /nfs/dbraw/zinc/63/55/60/694635560.db2.gz CMOFKKHRDDXUEF-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP C[NH+]1CCC(c2nc(C3([NH3+])CCCC3)no2)CC1 ZINC000261876996 694777953 /nfs/dbraw/zinc/77/79/53/694777953.db2.gz VVUGGRIGYQERJJ-UHFFFAOYSA-N 2 0 250.346 1.607 10 0 CDAERP CC1(C)[C@@H]([NH3+])c2ccccc2N1C(=O)[C@@H]1CCC[NH2+]1 ZINC000867986592 694787703 /nfs/dbraw/zinc/78/77/03/694787703.db2.gz DFBCKXQEAFYONN-AAEUAGOBSA-N 2 0 259.353 1.564 10 0 CDAERP NC(=O)Cc1cccc2c1CC[N@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000866684782 694832457 /nfs/dbraw/zinc/83/24/57/694832457.db2.gz TXOPUUGWDUAOCW-ZDUSSCGKSA-N 2 0 287.407 1.072 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCNc2cnccn2)C1 ZINC000925554498 694836026 /nfs/dbraw/zinc/83/60/26/694836026.db2.gz BCKBHRQQHOQDQH-NWDGAFQWSA-N 2 0 263.389 1.384 10 0 CDAERP O=C(CCCC[NH+]1CCCC1)N[C@@H]1CCn2cncc21 ZINC000857990136 694842811 /nfs/dbraw/zinc/84/28/11/694842811.db2.gz RXBMVOFNVKVDLS-CYBMUJFWSA-N 2 0 276.384 1.710 10 0 CDAERP [NH3+]C[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@H]1C(F)(F)F ZINC000709851835 694843976 /nfs/dbraw/zinc/84/39/76/694843976.db2.gz FUHNJWCDCVSIDI-GMTAPVOTSA-N 2 0 266.307 1.482 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)CCC[NH2+]C2CC2)C[C@H]1C ZINC000923325239 694853784 /nfs/dbraw/zinc/85/37/84/694853784.db2.gz SJGWGYQOIQLPIQ-HIFRSBDPSA-N 2 0 253.434 1.933 10 0 CDAERP [NH3+]C[C@H]1C[N@H+](CCCCCCO)C[C@@H]1C(F)(F)F ZINC000720845097 694859560 /nfs/dbraw/zinc/85/95/60/694859560.db2.gz MOYISIIUMWMOMY-QWRGUYRKSA-N 2 0 268.323 1.608 10 0 CDAERP NC(=O)CC1CC([NH2+][C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925820003 694860655 /nfs/dbraw/zinc/86/06/55/694860655.db2.gz BLTHYCNTLGZKMP-PESDSKBTSA-N 2 0 275.396 1.710 10 0 CDAERP CCN1C[C@H](C[NH+]2CCC(CC[NH+](C)C)CC2)OC1=O ZINC000846780621 694874554 /nfs/dbraw/zinc/87/45/54/694874554.db2.gz MWUAOSIYGNUDRN-AWEZNQCLSA-N 2 0 283.416 1.491 10 0 CDAERP C[N@@H+]1CC[C@@H]2CN(CCCC3CC[NH2+]CC3)CC[C@@H]21 ZINC000866703353 694875437 /nfs/dbraw/zinc/87/54/37/694875437.db2.gz HKENDCUAOWZUDC-CVEARBPZSA-N 2 0 265.445 1.792 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)c2ccccc21 ZINC000724611995 694876014 /nfs/dbraw/zinc/87/60/14/694876014.db2.gz DTIIWSLUAZUTFA-YWCGQCRUSA-N 2 0 274.364 1.525 10 0 CDAERP C1CCC2(C1)[NH2+]CC[C@@H]2N[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000925725260 694881854 /nfs/dbraw/zinc/88/18/54/694881854.db2.gz IGYWAWGBVQQEMX-GXYBRJDSSA-N 2 0 262.397 1.674 10 0 CDAERP CC(C)N(C(=O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1)C(C)C ZINC000723899392 695098209 /nfs/dbraw/zinc/09/82/09/695098209.db2.gz BSOAMVGRFQAUIB-ZIAGYGMSSA-N 2 0 269.433 1.549 10 0 CDAERP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925609296 695102785 /nfs/dbraw/zinc/10/27/85/695102785.db2.gz RZTHRJYOWTWVPY-LSDHHAIUSA-N 3 0 281.444 1.098 10 0 CDAERP COC/C(C)=C\C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000930823477 695122855 /nfs/dbraw/zinc/12/28/55/695122855.db2.gz LSPTZCXVEUYRSC-CPSFFCFKSA-N 2 0 268.401 1.376 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000711258400 695152423 /nfs/dbraw/zinc/15/24/23/695152423.db2.gz KBXGYUIAOXNNOS-HIFRSBDPSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CCF)C1 ZINC001690405514 1158488376 /nfs/dbraw/zinc/48/83/76/1158488376.db2.gz LIWUZOHJJUAPGG-GJZGRUSLSA-N 2 0 299.434 1.657 10 0 CDAERP CO[C@@H](C[N@H+](C)C1(C[NH3+])CCOCC1)C1CCC1 ZINC000692287783 1158706963 /nfs/dbraw/zinc/70/69/63/1158706963.db2.gz HHQFYAGHYMYADC-ZDUSSCGKSA-N 2 0 256.390 1.241 10 0 CDAERP CCCC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)C(C)C ZINC001691763416 1159018656 /nfs/dbraw/zinc/01/86/56/1159018656.db2.gz NZRUUDOZCKXTMN-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]C[C@@H](C)CC ZINC001691339976 1159026147 /nfs/dbraw/zinc/02/61/47/1159026147.db2.gz QMNHQLKBWOWHMK-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP COCCC[N@H+](C)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001725173144 1159178651 /nfs/dbraw/zinc/17/86/51/1159178651.db2.gz NXDWOCMNYJFGHC-CQSZACIVSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)=CC[NH2+]CCN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001481297979 1159643058 /nfs/dbraw/zinc/64/30/58/1159643058.db2.gz HZXLHMBUKWPJRC-UHFFFAOYSA-N 2 0 297.443 1.111 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2[NH2+]1)[NH+](C)C ZINC000251092526 1159728883 /nfs/dbraw/zinc/72/88/83/1159728883.db2.gz KKRIBYVZWOJFAY-SYQHCUMBSA-N 2 0 267.417 1.364 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001483602898 1160955124 /nfs/dbraw/zinc/95/51/24/1160955124.db2.gz WNTRQAYSGAOSBQ-KGLIPLIRSA-N 2 0 297.418 1.315 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)NCC[NH+]2CC=CC2)CC1 ZINC001629700580 1166157864 /nfs/dbraw/zinc/15/78/64/1166157864.db2.gz SUOQSCDAPSKCAD-UHFFFAOYSA-N 2 0 279.428 1.342 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)NCC2([NH+](C)C)CC2)C1 ZINC001630288903 1166196913 /nfs/dbraw/zinc/19/69/13/1166196913.db2.gz KZAYVEVNZONTFB-CYBMUJFWSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC001632386632 1166346805 /nfs/dbraw/zinc/34/68/05/1166346805.db2.gz PWSBQURJMSOMKE-NEPJUHHUSA-N 2 0 255.406 1.173 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H]1C[N@H+](C)CC1(C)C)[NH+](C)C ZINC001639135040 1166903087 /nfs/dbraw/zinc/90/30/87/1166903087.db2.gz CGHJHUZTODRWNB-NWDGAFQWSA-N 2 0 255.406 1.029 10 0 CDAERP Cc1cc(NC(=O)N[C@@H]2CC[NH2+]C23CCCC3)cc(C)n1 ZINC001645873122 1167546243 /nfs/dbraw/zinc/54/62/43/1167546243.db2.gz TYJUOQPNSZXHGX-CQSZACIVSA-N 2 0 288.395 1.917 10 0 CDAERP CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]CCCF)[NH+](C)C ZINC001567073014 1168547809 /nfs/dbraw/zinc/54/78/09/1168547809.db2.gz QVLIHXFQLRDBOM-NEPJUHHUSA-N 2 0 261.385 1.027 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CC[C@@H](C[NH2+]CCCCCF)C1 ZINC001567153628 1168598197 /nfs/dbraw/zinc/59/81/97/1168598197.db2.gz RMQBSOWDBVHBOE-HNNXBMFYSA-N 2 0 299.434 1.660 10 0 CDAERP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C4CC4)CC3)[C@H]2C1 ZINC001649359491 1169238260 /nfs/dbraw/zinc/23/82/60/1169238260.db2.gz XULAPAUGLSCMED-BPUTZDHNSA-N 2 0 291.439 1.317 10 0 CDAERP CC[C@@H](C(=O)N(CC)CC[NH2+]C[C@H]1CCCCO1)[NH+](C)C ZINC001568791634 1169476201 /nfs/dbraw/zinc/47/62/01/1169476201.db2.gz OUAVXXWZGGRELO-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001569036390 1169606615 /nfs/dbraw/zinc/60/66/15/1169606615.db2.gz LTWSFGIHQARUKZ-HUUCEWRRSA-N 2 0 297.443 1.015 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1n1cncn1 ZINC001650036842 1169634876 /nfs/dbraw/zinc/63/48/76/1169634876.db2.gz KZNYTLPROFPVPK-SUJAAXHWSA-N 2 0 291.443 1.843 10 0 CDAERP C[C@H]1C[C@@H](C[N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)CCO1 ZINC001656310894 1171808560 /nfs/dbraw/zinc/80/85/60/1171808560.db2.gz CACPCLOBBHODLW-XQLPTFJDSA-N 2 0 252.402 1.685 10 0 CDAERP CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]CCC[NH+](CC)CC ZINC001658137156 1172012491 /nfs/dbraw/zinc/01/24/91/1172012491.db2.gz BFDKWZBNUSLNMO-QWHCGFSZSA-N 2 0 258.406 1.896 10 0 CDAERP CC(C)[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001661610466 1172415940 /nfs/dbraw/zinc/41/59/40/1172415940.db2.gz SECQKIOYRMIERV-TXEJJXNPSA-N 2 0 253.390 1.116 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001661614186 1172417984 /nfs/dbraw/zinc/41/79/84/1172417984.db2.gz FJJICWNMYPCLRE-MJBXVCDLSA-N 2 0 267.417 1.508 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001661818094 1172451152 /nfs/dbraw/zinc/45/11/52/1172451152.db2.gz IPMDDHDRCNRAQJ-LSDHHAIUSA-N 2 0 281.444 1.566 10 0 CDAERP CC[NH2+]C[C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001666568120 1173153959 /nfs/dbraw/zinc/15/39/59/1173153959.db2.gz IJUYOOIKTNOYFV-CYBMUJFWSA-N 2 0 267.417 1.224 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC(C)([NH2+]CC)CC1 ZINC001673993536 1173904521 /nfs/dbraw/zinc/90/45/21/1173904521.db2.gz JFTDPEONHRYDCA-UHFFFAOYSA-N 2 0 255.406 1.319 10 0 CDAERP CC(C)C[NH2+][C@H](C)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001674775468 1174008842 /nfs/dbraw/zinc/00/88/42/1174008842.db2.gz VZGNYAUTZAINSZ-OLZOCXBDSA-N 2 0 255.406 1.221 10 0 CDAERP CC/C=C\CC[N@H+](C)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001675030293 1174063656 /nfs/dbraw/zinc/06/36/56/1174063656.db2.gz GVHRIQRKLJOULV-IYKSTZQJSA-N 2 0 293.455 1.875 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001675792763 1174149120 /nfs/dbraw/zinc/14/91/20/1174149120.db2.gz REQFIAWKBXYLLA-JYJNAYRXSA-N 2 0 293.455 1.779 10 0 CDAERP CC(C)[NH2+]CCOCCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001677515414 1174365645 /nfs/dbraw/zinc/36/56/45/1174365645.db2.gz PDPSEYZVRODZDB-UHFFFAOYSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001690750678 1175563757 /nfs/dbraw/zinc/56/37/57/1175563757.db2.gz BUOWGUGSAHQJJH-HNNXBMFYSA-N 2 0 283.460 1.812 10 0 CDAERP C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H](C[NH2+]CCCF)C1 ZINC001691858185 1175637588 /nfs/dbraw/zinc/63/75/88/1175637588.db2.gz XBTDBBBHDNATKJ-ILXRZTDVSA-N 2 0 299.434 1.514 10 0 CDAERP CCCC[NH2+]C[C@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001698746352 1175915123 /nfs/dbraw/zinc/91/51/23/1175915123.db2.gz RBGKYMBHQWMBOF-HUUCEWRRSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)[NH2+]C[C@@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001698749829 1175916979 /nfs/dbraw/zinc/91/69/79/1175916979.db2.gz ARYUPPCOFKPPEF-KGLIPLIRSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001698767506 1175925004 /nfs/dbraw/zinc/92/50/04/1175925004.db2.gz GXYWSPCKTRZVLW-HUUCEWRRSA-N 2 0 283.460 1.716 10 0 CDAERP CC[N@H+](C)CCN(C)C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001698990614 1176018362 /nfs/dbraw/zinc/01/83/62/1176018362.db2.gz CLTPNSMOSRORSU-ZIAGYGMSSA-N 2 0 267.417 1.413 10 0 CDAERP CCN(CC[NH2+]CC=C(C)C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001699216522 1176144248 /nfs/dbraw/zinc/14/42/48/1176144248.db2.gz JYMLCLJVRYHEDS-AWEZNQCLSA-N 2 0 267.417 1.342 10 0 CDAERP CC[C@H](F)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001699238299 1176163027 /nfs/dbraw/zinc/16/30/27/1176163027.db2.gz WAENSCCPFKHPJH-AIMRDXAKSA-N 2 0 271.380 1.091 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]C(C)C ZINC001699387775 1176347527 /nfs/dbraw/zinc/34/75/27/1176347527.db2.gz HISOAVZBEIMGGI-CHWSQXEVSA-N 2 0 255.406 1.364 10 0 CDAERP CC/C=C/CC[NH2+]C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001699431621 1176394498 /nfs/dbraw/zinc/39/44/98/1176394498.db2.gz MZBUYLJTFXQLIY-NNTXTVRGSA-N 2 0 267.417 1.533 10 0 CDAERP CCC[N@H+](C)C[C@@H](C)NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001699454322 1176419845 /nfs/dbraw/zinc/41/98/45/1176419845.db2.gz ORUGZIXLXOJLOZ-KGLIPLIRSA-N 2 0 269.433 1.707 10 0 CDAERP CN(CCC[NH2+]Cc1ccsc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001699550009 1176470618 /nfs/dbraw/zinc/47/06/18/1176470618.db2.gz BPCNDFIFOORQDW-AWEZNQCLSA-N 2 0 295.452 1.638 10 0 CDAERP Cc1nc(C[NH2+]CCCN(C)C(=O)C[NH+]2CCCC2)co1 ZINC001699551144 1176471972 /nfs/dbraw/zinc/47/19/72/1176471972.db2.gz OLBTXFJNPROGHH-UHFFFAOYSA-N 2 0 294.399 1.017 10 0 CDAERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1[NH2+]CC1CC1 ZINC001700273895 1176827339 /nfs/dbraw/zinc/82/73/39/1176827339.db2.gz KGKKDHLTSHSUOF-DZGCQCFKSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1CC1CC1 ZINC001700882217 1177177533 /nfs/dbraw/zinc/17/75/33/1177177533.db2.gz MBIZHCMYQVPLQX-JSGCOSHPSA-N 2 0 267.417 1.317 10 0 CDAERP CC(C)CC[N@H+](C)CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001707376401 1178003566 /nfs/dbraw/zinc/00/35/66/1178003566.db2.gz SLRNUXCNDYPGAL-MRXNPFEDSA-N 2 0 295.471 1.812 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@H]1CCC[N@@H+](CCCCCF)C1 ZINC001713064578 1178342252 /nfs/dbraw/zinc/34/22/52/1178342252.db2.gz XTTIARSGYPNJQB-HNNXBMFYSA-N 2 0 299.434 1.803 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CCCF)C1 ZINC001713229313 1178445463 /nfs/dbraw/zinc/44/54/63/1178445463.db2.gz SXGKSWSWXSPNRZ-UONOGXRCSA-N 2 0 285.407 1.268 10 0 CDAERP CCCCC[NH2+]C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001713360225 1178519880 /nfs/dbraw/zinc/51/98/80/1178519880.db2.gz FCJUPVAFLRVLMN-HNNXBMFYSA-N 2 0 293.455 1.711 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCCF)C1 ZINC001713953823 1178886745 /nfs/dbraw/zinc/88/67/45/1178886745.db2.gz QBEMTCXXFSEUFD-KKUMJFAQSA-N 2 0 299.434 1.703 10 0 CDAERP CCCCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001713962579 1178893894 /nfs/dbraw/zinc/89/38/94/1178893894.db2.gz MFOAUIWOBNEZOY-AWEZNQCLSA-N 2 0 267.417 1.463 10 0 CDAERP CC/C=C/CC[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001713964803 1178895020 /nfs/dbraw/zinc/89/50/20/1178895020.db2.gz MDJYZOJQGTYOFC-GHNZZDGLSA-N 2 0 293.455 1.921 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC=C(C)C ZINC001714071351 1178959772 /nfs/dbraw/zinc/95/97/72/1178959772.db2.gz ASYYGADKSLTKLR-QLFBSQMISA-N 2 0 281.444 1.777 10 0 CDAERP C[NH+](C)CCC(=O)NCCC[C@H]1CCC[N@@H+]1CC1CC1 ZINC001714527498 1179182591 /nfs/dbraw/zinc/18/25/91/1179182591.db2.gz NSPUZMPORAWQTR-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]CC[C@H](C)F ZINC001714795876 1179400993 /nfs/dbraw/zinc/40/09/93/1179400993.db2.gz CEWYNMHDEZGRNV-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP O=C(N1CCC(CC[NH2+]CCF)CC1)C12CC[NH+](CC1)C2 ZINC001715175313 1179570449 /nfs/dbraw/zinc/57/04/49/1179570449.db2.gz GKEBJUAQQNREFW-UHFFFAOYSA-N 2 0 297.418 1.270 10 0 CDAERP C[C@@H](C[NH2+]CCC1CC1)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001715365757 1179645194 /nfs/dbraw/zinc/64/51/94/1179645194.db2.gz GIAHNNBWFRVSBQ-AWEZNQCLSA-N 2 0 295.471 1.955 10 0 CDAERP COCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)C(C)C ZINC001715476028 1179676263 /nfs/dbraw/zinc/67/62/63/1179676263.db2.gz NOHKYXGXHGSZFU-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP CCC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001715733677 1179783597 /nfs/dbraw/zinc/78/35/97/1179783597.db2.gz HLTXSPOCVJTETD-AWEZNQCLSA-N 2 0 269.433 1.707 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CC ZINC001715735293 1179785307 /nfs/dbraw/zinc/78/53/07/1179785307.db2.gz BSZPFTJSDSZLBV-ZDUSSCGKSA-N 2 0 255.406 1.319 10 0 CDAERP CCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001715932298 1179925996 /nfs/dbraw/zinc/92/59/96/1179925996.db2.gz KBNNGYPTTAWGCW-OLZOCXBDSA-N 2 0 255.406 1.365 10 0 CDAERP C[C@@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)CC[NH+](C)C ZINC001715992263 1179969930 /nfs/dbraw/zinc/96/99/30/1179969930.db2.gz FFIWHPPGCBLLFF-LBPRGKRZSA-N 2 0 269.433 1.469 10 0 CDAERP COCCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001716026446 1180001552 /nfs/dbraw/zinc/00/15/52/1180001552.db2.gz FSUXVBLTDZTBKR-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP COCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001716026444 1180003641 /nfs/dbraw/zinc/00/36/41/1180003641.db2.gz FSUXVBLTDZTBKR-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP CCCCC[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001716043039 1180017255 /nfs/dbraw/zinc/01/72/55/1180017255.db2.gz DRKICERMEQUAOF-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)=CC[NH2+]C/C=C/CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001716370848 1180171158 /nfs/dbraw/zinc/17/11/58/1180171158.db2.gz PNQPNYXDJVGMCS-IDOMTICXSA-N 2 0 291.439 1.701 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001716463668 1180224655 /nfs/dbraw/zinc/22/46/55/1180224655.db2.gz FDRIEMPRRAGCRP-STQMWFEESA-N 2 0 255.406 1.079 10 0 CDAERP CN(CCC[NH2+]C/C(Cl)=C\Cl)C(=O)CC[NH+](C)C ZINC001716564662 1180285340 /nfs/dbraw/zinc/28/53/40/1180285340.db2.gz DUHVFLOUBRERLK-PKNBQFBNSA-N 2 0 296.242 1.695 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001716789563 1180416235 /nfs/dbraw/zinc/41/62/35/1180416235.db2.gz AZRZIPQIWLIGEH-KGLIPLIRSA-N 2 0 267.417 1.175 10 0 CDAERP CCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001716970603 1180485835 /nfs/dbraw/zinc/48/58/35/1180485835.db2.gz YGZJVEBGULBDLW-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)[NH2+]CC1CC(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001717384987 1180641236 /nfs/dbraw/zinc/64/12/36/1180641236.db2.gz PSRJPKAPPMUBOP-UHFFFAOYSA-N 2 0 267.417 1.364 10 0 CDAERP Cc1nc[nH]c1CC(=O)NC1CC(C[NH2+]C/C=C\Cl)C1 ZINC001717393428 1180645011 /nfs/dbraw/zinc/64/50/11/1180645011.db2.gz WNIWBHPHHWHOJM-IHWYPQMZSA-N 2 0 296.802 1.498 10 0 CDAERP CCCC[C@H](C[NH2+]CC)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001717532350 1180725175 /nfs/dbraw/zinc/72/51/75/1180725175.db2.gz FEYQOUHFWWZTDI-ZIAGYGMSSA-N 2 0 269.433 1.613 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]CCC2CC2)C(C)(C)C)C1 ZINC001717972142 1180952832 /nfs/dbraw/zinc/95/28/32/1180952832.db2.gz AOWBYEMHQUTPRU-CABCVRRESA-N 2 0 295.471 1.859 10 0 CDAERP CCC[NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001723022222 1181510645 /nfs/dbraw/zinc/51/06/45/1181510645.db2.gz GOKNAGUDLQWMLD-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@@H]1[C@H](C(=O)N(C)CCC[NH2+]CCC2CC2)CC[N@@H+]1C ZINC001723022541 1181510681 /nfs/dbraw/zinc/51/06/81/1181510681.db2.gz IXTFQYBANPLYRI-UKRRQHHQSA-N 2 0 281.444 1.565 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]C(C)C ZINC001723037722 1181512025 /nfs/dbraw/zinc/51/20/25/1181512025.db2.gz XIPKUJFNLJBLPN-CQSZACIVSA-N 2 0 269.433 1.707 10 0 CDAERP CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1CC ZINC001723388244 1181546356 /nfs/dbraw/zinc/54/63/56/1181546356.db2.gz CEPLFYWQQLLBAD-ZIAGYGMSSA-N 2 0 269.433 1.563 10 0 CDAERP CCC/C=C\CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001723482718 1181573308 /nfs/dbraw/zinc/57/33/08/1181573308.db2.gz PAJMRHVMNKKTJI-ILNYKDOHSA-N 2 0 293.455 1.875 10 0 CDAERP CN(C(=O)CCCC[NH+]1CCCC1)C1C[NH+](CC2CC2)C1 ZINC001723825390 1181606768 /nfs/dbraw/zinc/60/67/68/1181606768.db2.gz HWDCIRDCIKPHRO-UHFFFAOYSA-N 2 0 293.455 1.805 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001723975219 1181627531 /nfs/dbraw/zinc/62/75/31/1181627531.db2.gz SUTKLIQFAIMYSG-INIZCTEOSA-N 2 0 293.455 1.875 10 0 CDAERP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C[NH2+]CCF ZINC001724588494 1181699155 /nfs/dbraw/zinc/69/91/55/1181699155.db2.gz UVOVXCDGGZWYIE-OLZOCXBDSA-N 2 0 285.407 1.124 10 0 CDAERP CC[NH2+]CCC[C@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001725390750 1181984970 /nfs/dbraw/zinc/98/49/70/1181984970.db2.gz BQDQZXHMSDESNR-AWEZNQCLSA-N 2 0 299.459 1.239 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001725450570 1182005893 /nfs/dbraw/zinc/00/58/93/1182005893.db2.gz LFBGEJYAZBHLQG-JKSUJKDBSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001725501305 1182026050 /nfs/dbraw/zinc/02/60/50/1182026050.db2.gz IHSFCSOHZXBQQF-RDBSUJKOSA-N 2 0 269.433 1.562 10 0 CDAERP C[NH+](C)CCCCC(=O)N1C[C@@H]([NH2+]CC2CC2)C(C)(C)C1 ZINC001725677286 1182094856 /nfs/dbraw/zinc/09/48/56/1182094856.db2.gz NWQOXGDSKPFNBP-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCCC[NH+](C)CCF)CC[N@@H+]1C ZINC001731263588 1182280614 /nfs/dbraw/zinc/28/06/14/1182280614.db2.gz WMCLDPSGFVHLAL-STQMWFEESA-N 2 0 273.396 1.124 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCC1CC1 ZINC001732225145 1182868497 /nfs/dbraw/zinc/86/84/97/1182868497.db2.gz XTDFYEANRMBOCU-ZIAGYGMSSA-N 2 0 267.417 1.223 10 0 CDAERP COCC[NH2+]CCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001733106355 1183293128 /nfs/dbraw/zinc/29/31/28/1183293128.db2.gz FZWLXDUJRWVDIR-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CN(CCC[NH2+]CC1CC(C)(C)C1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001733143420 1183305849 /nfs/dbraw/zinc/30/58/49/1183305849.db2.gz KOCGVTRQUOOFGY-HNNXBMFYSA-N 2 0 295.471 1.812 10 0 CDAERP CCC[NH2+]C[C@@]1(C)CCN(C(=O)CCC[NH+](C)C)C1 ZINC001733433482 1183432381 /nfs/dbraw/zinc/43/23/81/1183432381.db2.gz AECNMJQNJOXRQN-OAHLLOKOSA-N 2 0 269.433 1.566 10 0 CDAERP CN(CC(C)(C)C[NH2+]CCCF)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001734023472 1183616770 /nfs/dbraw/zinc/61/67/70/1183616770.db2.gz MKWDCGGBNOLVFH-CYBMUJFWSA-N 2 0 287.423 1.372 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCCF)C1 ZINC001734220103 1183696442 /nfs/dbraw/zinc/69/64/42/1183696442.db2.gz NTEHDNIXWPBCOH-KKUMJFAQSA-N 2 0 299.434 1.705 10 0 CDAERP CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001734331627 1183735611 /nfs/dbraw/zinc/73/56/11/1183735611.db2.gz OUPJCUPQODYADW-KGLIPLIRSA-N 2 0 269.433 1.563 10 0 CDAERP C[C@@H]1[C@H](C(=O)N[C@H](C[NH2+]CCF)C(C)(C)C)CC[N@@H+]1C ZINC001734561318 1183826441 /nfs/dbraw/zinc/82/64/41/1183826441.db2.gz OTZRUEMKXHDDRH-JHJVBQTASA-N 2 0 287.423 1.417 10 0 CDAERP CCC[N@H+]1CC=C(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001734638845 1183855421 /nfs/dbraw/zinc/85/54/21/1183855421.db2.gz VKAQEBKVZVSPJR-UHFFFAOYSA-N 2 0 265.401 1.241 10 0 CDAERP Cc1n[nH]c(=O)c(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)c1C ZINC001771933849 1186584940 /nfs/dbraw/zinc/58/49/40/1186584940.db2.gz REJNWFMMGMGPKV-VXGBXAGGSA-N 2 0 278.400 1.795 10 0 CDAERP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccnnc1 ZINC000924632031 723175355 /nfs/dbraw/zinc/17/53/55/723175355.db2.gz LDHKWSVNPYVSRE-ZDUSSCGKSA-N 2 0 277.416 1.153 10 0 CDAERP CC1CC[NH+](CCCC[NH2+]C[C@@H](O)CC(C)(C)O)CC1 ZINC000872200902 723182110 /nfs/dbraw/zinc/18/21/10/723182110.db2.gz MHWIJBSEBHZZFA-HNNXBMFYSA-N 2 0 286.460 1.610 10 0 CDAERP CC(C)[C@H](CNC(=[NH2+])NC1CC1)[NH+]1CCC(C)CC1 ZINC000066242971 723224611 /nfs/dbraw/zinc/22/46/11/723224611.db2.gz SUMCGCMTFBLWDS-AWEZNQCLSA-N 2 0 266.433 1.810 10 0 CDAERP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H]2CCC3(COC3)O2)C1 ZINC000929791875 723230939 /nfs/dbraw/zinc/23/09/39/723230939.db2.gz WJBRYNMXBHUGOH-KGLIPLIRSA-N 2 0 268.401 1.208 10 0 CDAERP CC(C)COCCN1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931286093 723342916 /nfs/dbraw/zinc/34/29/16/723342916.db2.gz AGHNOOVCDZGUJA-UHFFFAOYSA-N 2 0 284.444 1.846 10 0 CDAERP O=C1CCC2=C(CC[N@H+](CCCC3CC[NH2+]CC3)C2)N1 ZINC000852754573 723342982 /nfs/dbraw/zinc/34/29/82/723342982.db2.gz WEKOOIDPGRKHFE-UHFFFAOYSA-N 2 0 277.412 1.636 10 0 CDAERP CC[C@H]([NH2+]CCCN1CC[NH+](C)CC1)[C@H]1CCCOC1 ZINC000723969471 723307947 /nfs/dbraw/zinc/30/79/47/723307947.db2.gz QTJHTHIQHTVDCJ-HOTGVXAUSA-N 2 0 283.460 1.419 10 0 CDAERP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C=C2CC[NH2+]CC2)C1 ZINC000852859353 723384082 /nfs/dbraw/zinc/38/40/82/723384082.db2.gz RSWJVFFURVIZII-HUUCEWRRSA-N 2 0 293.455 1.780 10 0 CDAERP CN(C(=O)CCCCC[NH3+])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000834361424 723424975 /nfs/dbraw/zinc/42/49/75/723424975.db2.gz NGTVCTGRVXUIMC-FUNVUKJBSA-N 2 0 253.390 1.247 10 0 CDAERP CC(C)[C@H]([NH3+])CCN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925718191 723513168 /nfs/dbraw/zinc/51/31/68/723513168.db2.gz XZLKAOZOCMQFNO-YIYPIFLZSA-N 2 0 253.434 1.726 10 0 CDAERP COC(=O)/C(C)=C/CN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000311025229 723521141 /nfs/dbraw/zinc/52/11/41/723521141.db2.gz ZZWYZPSIOASXKD-NQADCFBISA-N 2 0 252.358 1.133 10 0 CDAERP C[NH+](C)CCOCC[NH2+][C@@H]1CCOC12CCCCC2 ZINC000926253603 723526911 /nfs/dbraw/zinc/52/69/11/723526911.db2.gz GWRJAZZZDHXTRW-CQSZACIVSA-N 2 0 270.417 1.646 10 0 CDAERP C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(F)cc2)CC[C@H]1C[NH3+] ZINC000923490469 723527636 /nfs/dbraw/zinc/52/76/36/723527636.db2.gz CUCPJMPVPMQJMJ-VNHYZAJKSA-N 2 0 296.386 1.482 10 0 CDAERP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923500535 723535388 /nfs/dbraw/zinc/53/53/88/723535388.db2.gz PLKBOGLICXAOCY-IJLUTSLNSA-N 2 0 255.406 1.206 10 0 CDAERP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)CCC2(O)CCC2)CCN1C ZINC000929780334 723561557 /nfs/dbraw/zinc/56/15/57/723561557.db2.gz FSUOAKBIAIMCLZ-RBSFLKMASA-N 2 0 284.444 1.457 10 0 CDAERP C[C@@H]1[C@@H]([NH2+]CCCC[NH+]2CCN(C)CC2)CO[C@H]1C ZINC000924658556 723642138 /nfs/dbraw/zinc/64/21/38/723642138.db2.gz KQWNJQQLHGGJMZ-KKUMJFAQSA-N 2 0 269.433 1.027 10 0 CDAERP C[C@H](CNC(=O)C=C1CC[NH2+]CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000852858817 723606449 /nfs/dbraw/zinc/60/64/49/723606449.db2.gz IGSNLDPDKNFOEO-UONOGXRCSA-N 2 0 279.428 1.533 10 0 CDAERP [NH3+][C@H](CCN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)Cc1ccccc1 ZINC000925724423 723625688 /nfs/dbraw/zinc/62/56/88/723625688.db2.gz AUDCTRRHYNWKAO-SOMFZHDCSA-N 2 0 285.435 1.533 10 0 CDAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CCO[C@H]1CC1(F)F)CC2 ZINC000923449789 723634177 /nfs/dbraw/zinc/63/41/77/723634177.db2.gz CBANWBQQILNWIY-RYUDHWBXSA-N 2 0 290.354 1.240 10 0 CDAERP CC1(C)C[C@@H]([NH2+][C@@H]2CC(=O)N(C3CC3)C2)C[C@@H]([NH3+])C1 ZINC000925574449 723634920 /nfs/dbraw/zinc/63/49/20/723634920.db2.gz BEDQNBOTXFTBOL-GRYCIOLGSA-N 2 0 265.401 1.245 10 0 CDAERP COc1cc(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)on1 ZINC000923440018 723665191 /nfs/dbraw/zinc/66/51/91/723665191.db2.gz GJQPPHYHSJBMQI-GFCCVEGCSA-N 2 0 281.356 1.013 10 0 CDAERP CC[N@@H+]1CC[C@H](C[NH2+]CC2CCC3(CC2)OCCO3)C1 ZINC000795900308 723671776 /nfs/dbraw/zinc/67/17/76/723671776.db2.gz VSCPMEWHHAOPLS-OAHLLOKOSA-N 2 0 282.428 1.851 10 0 CDAERP CN(CC[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1)c1ccccc1 ZINC000872153837 723680377 /nfs/dbraw/zinc/68/03/77/723680377.db2.gz JGHQVOFZXNBKRK-GOEBONIOSA-N 2 0 259.397 1.664 10 0 CDAERP CC1(C)[C@H]([NH3+])c2ccccc2N1C(=O)[C@]1(C)CC[NH2+]C1 ZINC000867987194 723682734 /nfs/dbraw/zinc/68/27/34/723682734.db2.gz ISEUVBKUGVHYAH-CZUORRHYSA-N 2 0 273.380 1.811 10 0 CDAERP [NH3+]CCC[C@H]([NH2+]CC[C@@H]1CNC(=O)C1)c1ccccc1 ZINC000925839580 723688978 /nfs/dbraw/zinc/68/89/78/723688978.db2.gz RLARFMCFUSIMAN-ZFWWWQNUSA-N 2 0 275.396 1.582 10 0 CDAERP CCCN(CC[NH+](CC)CC)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000925333956 723691780 /nfs/dbraw/zinc/69/17/80/723691780.db2.gz YKYGQKOILKDLBK-HUUCEWRRSA-N 2 0 298.475 1.842 10 0 CDAERP c1cn(CCCC[NH2+][C@H]2CC[NH2+]C23CCCC3)cn1 ZINC000925495569 723065421 /nfs/dbraw/zinc/06/54/21/723065421.db2.gz PVMQKQPQPKPEGP-AWEZNQCLSA-N 2 0 262.401 1.928 10 0 CDAERP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCCc3cn[nH]c32)CC1 ZINC000857847640 723181893 /nfs/dbraw/zinc/18/18/93/723181893.db2.gz TYNACGBJWUXSIQ-AWEZNQCLSA-N 2 0 291.443 1.403 10 0 CDAERP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)C(C)(C)CO ZINC000925092759 723279405 /nfs/dbraw/zinc/27/94/05/723279405.db2.gz DKSRKGGIODOIEP-UONOGXRCSA-N 2 0 284.444 1.484 10 0 CDAERP CC1(C)C[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)C[C@@H]([NH3+])C1 ZINC000925609540 723303621 /nfs/dbraw/zinc/30/36/21/723303621.db2.gz VTABFUZISFLJKT-PMPSAXMXSA-N 3 0 297.487 1.719 10 0 CDAERP CC1([NH+]2CCC2)CC[NH+](C[C@@]2(O)CCCOC2)CC1 ZINC000880475186 723321443 /nfs/dbraw/zinc/32/14/43/723321443.db2.gz SDOLIHFHZKXWPL-HNNXBMFYSA-N 2 0 268.401 1.088 10 0 CDAERP NC(=O)CC[NH2+]C[C@H]1CCN1C1CCCCCC1 ZINC000872235834 723346329 /nfs/dbraw/zinc/34/63/29/723346329.db2.gz KUXITZUQYSVPDQ-CYBMUJFWSA-N 2 0 253.390 1.249 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]CC[C@H]2CNC(=O)C2)c2ccccc21 ZINC000925837532 723353522 /nfs/dbraw/zinc/35/35/22/723353522.db2.gz GMKAHNBGBDVUSU-LERXQTSPSA-N 2 0 259.353 1.247 10 0 CDAERP C[N@@H+]1C[C@@H]2CN(C[C@@H](O)c3ccccc3)C[C@]2(C)C1 ZINC000702319457 723354547 /nfs/dbraw/zinc/35/45/47/723354547.db2.gz QGGSICZXTBDMJY-OAGGEKHMSA-N 2 0 260.381 1.604 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000924697519 723442049 /nfs/dbraw/zinc/44/20/49/723442049.db2.gz UAGMBGAPHOFLSL-HAXBKTOASA-N 3 0 263.429 1.543 10 0 CDAERP O=C1O[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CN1C1CC1 ZINC000848721136 723507727 /nfs/dbraw/zinc/50/77/27/723507727.db2.gz IDLWMHSIRPAQIP-APIJFGDWSA-N 2 0 293.411 1.480 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000711079969 723566235 /nfs/dbraw/zinc/56/62/35/723566235.db2.gz WNULGHSGEGASBP-MGPQQGTHSA-N 2 0 269.433 1.596 10 0 CDAERP Cc1nnc(C[NH2+]C2CCC([NH+](C)C)CC2)s1 ZINC000715518761 723577192 /nfs/dbraw/zinc/57/71/92/723577192.db2.gz OYPATSCEFYGMPK-UHFFFAOYSA-N 2 0 254.403 1.809 10 0 CDAERP OCCCSCC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925608817 723596730 /nfs/dbraw/zinc/59/67/30/723596730.db2.gz KKESLAHQKKCTBK-HUUCEWRRSA-N 2 0 286.485 1.860 10 0 CDAERP CO[C@H]1C[C@@H](C[N@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000721951227 723624300 /nfs/dbraw/zinc/62/43/00/723624300.db2.gz BEHUWYODUXNOKM-MMWGEVLESA-N 2 0 266.307 1.480 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@H]2CCc3c2cccc3F)CC1 ZINC000925808190 723626084 /nfs/dbraw/zinc/62/60/84/723626084.db2.gz ASRJSLKAPQHUII-INIZCTEOSA-N 2 0 277.387 1.826 10 0 CDAERP CNC(=O)C1CCC([NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925618811 723643766 /nfs/dbraw/zinc/64/37/66/723643766.db2.gz YJLSZCJPYPTBAZ-YIOUJQMASA-N 2 0 281.444 1.787 10 0 CDAERP CC(C)(C[NH3+])C(=O)N1c2ccccc2[C@H]([NH3+])C1(C)C ZINC000867988691 723676489 /nfs/dbraw/zinc/67/64/89/723676489.db2.gz RZBFVUGAFWGTCA-LBPRGKRZSA-N 2 0 261.369 1.797 10 0 CDAERP C[NH+](C)CC1(O)CC[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000710570640 723679270 /nfs/dbraw/zinc/67/92/70/723679270.db2.gz MFQMPOAXDRDLBO-QLFBSQMISA-N 2 0 266.429 1.811 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)C2CC[NH2+]CC2)C1 ZINC000870996484 1165251362 /nfs/dbraw/zinc/25/13/62/1165251362.db2.gz IINYLHKKJDMMAY-OAHLLOKOSA-N 2 0 267.417 1.210 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)NCC[NH+]2CCCC2)C1 ZINC001623589894 1165780011 /nfs/dbraw/zinc/78/00/11/1165780011.db2.gz GYHNOBMBEANHPI-AWEZNQCLSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)OCCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001571380217 1167594122 /nfs/dbraw/zinc/59/41/22/1167594122.db2.gz KKJGBTAVBYYWPN-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP CC[N@H+](CCCF)CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001566550583 1167976933 /nfs/dbraw/zinc/97/69/33/1167976933.db2.gz MXPCLZYUIGWGGA-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP O=C(N[C@H]1C[C@H]([NH2+]CCCF)C1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001566794337 1168035627 /nfs/dbraw/zinc/03/56/27/1168035627.db2.gz ABCHKLGNUXDGON-KBUPBQIOSA-N 2 0 297.418 1.600 10 0 CDAERP O=C(N[C@H]1C[C@H]([NH2+]CCCF)C1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001566794339 1168035777 /nfs/dbraw/zinc/03/57/77/1168035777.db2.gz ABCHKLGNUXDGON-TUVASFSCSA-N 2 0 297.418 1.600 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001567148167 1168047086 /nfs/dbraw/zinc/04/70/86/1168047086.db2.gz OOXOLRNIOAOEEF-JKSUJKDBSA-N 2 0 295.471 1.812 10 0 CDAERP CCOCC[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001567589835 1168064687 /nfs/dbraw/zinc/06/46/87/1168064687.db2.gz PIEZWNZRKOSTCX-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@@H](F)C[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001566516749 1168316979 /nfs/dbraw/zinc/31/69/79/1168316979.db2.gz WYRWBNGXQVSNQD-CHWSQXEVSA-N 2 0 273.396 1.124 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001566776723 1168416773 /nfs/dbraw/zinc/41/67/73/1168416773.db2.gz BYVZYWIARUSWKR-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001566842824 1168441195 /nfs/dbraw/zinc/44/11/95/1168441195.db2.gz YBZJDOJHKNHUOU-OKILXGFUSA-N 2 0 281.444 1.898 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCCF)C1 ZINC001566855170 1168446172 /nfs/dbraw/zinc/44/61/72/1168446172.db2.gz VGDZKGHRSPSAPJ-ZNMIVQPWSA-N 2 0 299.434 1.846 10 0 CDAERP CC(C)[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001567017193 1168512571 /nfs/dbraw/zinc/51/25/71/1168512571.db2.gz VTJDMKNHPWUHRP-CHWSQXEVSA-N 2 0 255.406 1.362 10 0 CDAERP CC[C@@H](C)C[NH2+][C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001567048037 1168532042 /nfs/dbraw/zinc/53/20/42/1168532042.db2.gz NVGYHQDUJSKVMY-OLZOCXBDSA-N 2 0 269.433 1.469 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC1=CCCCC1 ZINC001567079144 1168551434 /nfs/dbraw/zinc/55/14/34/1168551434.db2.gz PADOETYGEOLPGX-UKRRQHHQSA-N 2 0 279.428 1.533 10 0 CDAERP CC/C=C/CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001567102853 1168561756 /nfs/dbraw/zinc/56/17/56/1168561756.db2.gz RJFNTUOWOXOKJD-APHBUQMISA-N 2 0 293.455 1.875 10 0 CDAERP O=C(C[NH+]1CCCC1)NCCC[C@H]1CCC[N@H+]1CCCF ZINC001567266395 1168642726 /nfs/dbraw/zinc/64/27/26/1168642726.db2.gz LQSHNYWMAHLQDQ-HNNXBMFYSA-N 2 0 299.434 1.803 10 0 CDAERP C[NH+](C)CCC(=O)NCC[N@H+](C)CCC1=CCCCC1 ZINC001266321506 894378927 /nfs/dbraw/zinc/37/89/27/894378927.db2.gz VGQBAHZCYCJOOA-UHFFFAOYSA-N 2 0 281.444 1.877 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)N2CC[N@H+](C)CC2(C)C)CC1 ZINC001417681682 894630731 /nfs/dbraw/zinc/63/07/31/894630731.db2.gz NRAJNUIEVWKBRS-UHFFFAOYSA-N 2 0 295.471 1.907 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCCOC)C1 ZINC001266688599 895831843 /nfs/dbraw/zinc/83/18/43/895831843.db2.gz PDXHNPNPAYKSQE-QLFBSQMISA-N 2 0 297.443 1.134 10 0 CDAERP CCCC[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001266987353 896505048 /nfs/dbraw/zinc/50/50/48/896505048.db2.gz OCEWEJYBSWMNRF-OLZOCXBDSA-N 2 0 257.422 1.467 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001418472316 896964572 /nfs/dbraw/zinc/96/45/72/896964572.db2.gz ZEIYXWGSTIWXLX-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP CC[N@H+]1CC=C(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001279628047 897419411 /nfs/dbraw/zinc/41/94/11/897419411.db2.gz ADUAGGNBACNRIP-CQSZACIVSA-N 2 0 267.417 1.341 10 0 CDAERP CC(C)C[C@H](CN[C@@H]1C[C@H]([NH3+])C12CCC2)[NH+](C)C ZINC000405298972 897583380 /nfs/dbraw/zinc/58/33/80/897583380.db2.gz ILJGTTKKMHNNNJ-HZSPNIEDSA-N 2 0 253.434 1.822 10 0 CDAERP C[NH+](C)CC1CCC([NH2+]Cc2cc[nH]c(=O)c2)CC1 ZINC000921921247 921119706 /nfs/dbraw/zinc/11/97/06/921119706.db2.gz VJFMHJUMNNDXKS-UHFFFAOYSA-N 2 0 263.385 1.997 10 0 CDAERP CCC(CC)C[NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001267428885 897895158 /nfs/dbraw/zinc/89/51/58/897895158.db2.gz FXKSTIHMMCZVQD-CQSZACIVSA-N 2 0 283.460 1.812 10 0 CDAERP CC(C)CC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001481183891 899077321 /nfs/dbraw/zinc/07/73/21/899077321.db2.gz SSKMIHLEUWQISN-UHFFFAOYSA-N 2 0 295.471 1.955 10 0 CDAERP CC/C=C/CCN1CC(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267667446 899212510 /nfs/dbraw/zinc/21/25/10/899212510.db2.gz XQOJKNYZPXXIQE-NPQIQWPPSA-N 2 0 267.417 1.483 10 0 CDAERP CCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@H+](CCCOC)C1 ZINC001267793192 899742535 /nfs/dbraw/zinc/74/25/35/899742535.db2.gz FTDAYFIIHIYZPV-HNNXBMFYSA-N 2 0 299.459 1.286 10 0 CDAERP CCC[C@@H]1CCC[N@@H+]1C[C@H](O)CN(C)CCOC ZINC000397060853 899877142 /nfs/dbraw/zinc/87/71/42/899877142.db2.gz RBDNNQIMGXREQS-ZIAGYGMSSA-N 2 0 258.406 1.190 10 0 CDAERP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](CC[C@H]2CCCO2)C1 ZINC001421310875 900153319 /nfs/dbraw/zinc/15/33/19/900153319.db2.gz KSFAFSJOXOANQJ-LSDHHAIUSA-N 2 0 297.443 1.040 10 0 CDAERP CCC[N@@H+]1CC[C@H](CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001481458499 900735164 /nfs/dbraw/zinc/73/51/64/900735164.db2.gz PCCVVRQTCUCNBD-GJZGRUSLSA-N 2 0 281.444 1.566 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001481464218 900794384 /nfs/dbraw/zinc/79/43/84/900794384.db2.gz JNHGBGWHGKHAHO-HOTGVXAUSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)C[N@H+](C)C[C@@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001481505858 900958771 /nfs/dbraw/zinc/95/87/71/900958771.db2.gz WSJYTCHZOBQRIM-CVEARBPZSA-N 2 0 295.471 1.765 10 0 CDAERP CC[N@H+](C)CCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001268240447 901645766 /nfs/dbraw/zinc/64/57/66/901645766.db2.gz LBCAAXHQNWAEKC-UHFFFAOYSA-N 2 0 267.417 1.273 10 0 CDAERP C[C@@H](F)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001481677758 901786274 /nfs/dbraw/zinc/78/62/74/901786274.db2.gz LFRNNCMJLYHAMJ-RDBSUJKOSA-N 2 0 285.407 1.361 10 0 CDAERP CCCCC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001481695176 901821542 /nfs/dbraw/zinc/82/15/42/901821542.db2.gz GEXVGGRRNMBMGA-AWEZNQCLSA-N 2 0 279.428 1.463 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001481739230 901986905 /nfs/dbraw/zinc/98/69/05/901986905.db2.gz VCJKAASSERGOOM-LSDHHAIUSA-N 2 0 283.460 1.907 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC1CCC1 ZINC001481812765 902166309 /nfs/dbraw/zinc/16/63/09/902166309.db2.gz SZCILMWNVLCDCL-VHDGCEQUSA-N 2 0 281.444 1.611 10 0 CDAERP CC[NH2+]C[C@@](C)(NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001481940562 902380249 /nfs/dbraw/zinc/38/02/49/902380249.db2.gz WYJIJEOGSAFGOR-HEHGZKQESA-N 2 0 281.444 1.611 10 0 CDAERP CCN(CC[NH2+]CC1CC(C)C1)C(=O)C[NH+]1CCCC1 ZINC001268497521 902390553 /nfs/dbraw/zinc/39/05/53/902390553.db2.gz DXMUNWFQLAMNSY-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP C[C@@](C[NH2+]CCC1CC1)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001481951099 902397347 /nfs/dbraw/zinc/39/73/47/902397347.db2.gz LZBACKRMXBXPQI-KRWDZBQOSA-N 2 0 293.455 1.757 10 0 CDAERP CCN(CC[NH2+]CC1CC1)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001268500230 902411370 /nfs/dbraw/zinc/41/13/70/902411370.db2.gz SWQITJPEIYFOIT-INIZCTEOSA-N 2 0 295.471 1.955 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC1CCCCC1 ZINC001268522439 902501179 /nfs/dbraw/zinc/50/11/79/902501179.db2.gz LGCZDBSPFHJGSD-KJPDOMRESA-N 2 0 293.455 1.923 10 0 CDAERP Cc1c(C(=O)NC/C=C/C[NH2+]CC2CC2)ccc2c[nH+]cn21 ZINC001268559901 902564431 /nfs/dbraw/zinc/56/44/31/902564431.db2.gz UHLKSUBYNRDYBN-NSCUHMNNSA-N 2 0 298.390 1.928 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001268644748 902885912 /nfs/dbraw/zinc/88/59/12/902885912.db2.gz ACFCDVUZLIOXGW-OCCSQVGLSA-N 2 0 267.417 1.079 10 0 CDAERP C[C@@H](C[NH2+]CC[C@@H]1CCCCO1)NC(=O)C[NH+]1CCCC1 ZINC001268714731 903002271 /nfs/dbraw/zinc/00/22/71/903002271.db2.gz BMCWHLDPXLCYGS-GJZGRUSLSA-N 2 0 297.443 1.136 10 0 CDAERP CC[NH2+]CCCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001268915350 903241530 /nfs/dbraw/zinc/24/15/30/903241530.db2.gz LFCNTLOVAWUJFC-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP CCC[NH2+]C[C@@H](NC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001269079071 903406264 /nfs/dbraw/zinc/40/62/64/903406264.db2.gz CQLXKKGDSJTFLF-CYBMUJFWSA-N 2 0 267.417 1.365 10 0 CDAERP CC/C=C/CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001269535416 903903955 /nfs/dbraw/zinc/90/39/55/903903955.db2.gz LHGPZCAWSYLFTA-ISZGNANSSA-N 2 0 279.428 1.533 10 0 CDAERP CC[C@@H](C)C[NH+]1CC(N(C)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001269849244 904150202 /nfs/dbraw/zinc/15/02/02/904150202.db2.gz LPIRJIAVQPUTNJ-OCCSQVGLSA-N 2 0 269.433 1.515 10 0 CDAERP CCCC[NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001279112351 904562243 /nfs/dbraw/zinc/56/22/43/904562243.db2.gz IBSBMGMJRZIXOR-GJZGRUSLSA-N 2 0 295.471 1.955 10 0 CDAERP CC[NH2+]C[C@H](C)N(C)C(=O)[C@H](F)C[NH+](CC)CC ZINC001270977155 905514963 /nfs/dbraw/zinc/51/49/63/905514963.db2.gz UBSLRHOCGOHZJX-NWDGAFQWSA-N 2 0 261.385 1.123 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1nocc1C)[NH+](C)C ZINC001482875652 908453479 /nfs/dbraw/zinc/45/34/79/908453479.db2.gz XDRIJAHISCMSMB-JSGCOSHPSA-N 2 0 296.415 1.308 10 0 CDAERP CCC[NH2+]CC[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482892997 908470637 /nfs/dbraw/zinc/47/06/37/908470637.db2.gz ZILKOUCIZIMMHH-CHWSQXEVSA-N 2 0 255.406 1.223 10 0 CDAERP CCN(CC[NH2+]CC1CC1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001482931548 908500730 /nfs/dbraw/zinc/50/07/30/908500730.db2.gz TVLFADCBIHUMBB-CVEARBPZSA-N 2 0 293.455 1.851 10 0 CDAERP CC(C)C[NH2+]C/C=C/CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001483082268 909301765 /nfs/dbraw/zinc/30/17/65/909301765.db2.gz NMXCZVUBOXYVAV-NNTXTVRGSA-N 2 0 267.417 1.246 10 0 CDAERP CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712627105 909572726 /nfs/dbraw/zinc/57/27/26/909572726.db2.gz QQYNAGNQYKKREC-CHWSQXEVSA-N 2 0 267.417 1.317 10 0 CDAERP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N(C)C1CC[NH+](C)CC1 ZINC000713055862 909604906 /nfs/dbraw/zinc/60/49/06/909604906.db2.gz BRPBYRVDUOCDOJ-CYBMUJFWSA-N 2 0 269.433 1.549 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001483161372 909886066 /nfs/dbraw/zinc/88/60/66/909886066.db2.gz FQKLDPUYEVBVCH-CYBMUJFWSA-N 2 0 269.433 1.469 10 0 CDAERP C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@@H](C)[NH2+]CC1CC1 ZINC001409357210 910324030 /nfs/dbraw/zinc/32/40/30/910324030.db2.gz KRGWAZJWXLICOJ-ZIAGYGMSSA-N 2 0 293.455 1.755 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001483942565 915218535 /nfs/dbraw/zinc/21/85/35/915218535.db2.gz OZHJTBMGERAZEZ-CYBMUJFWSA-N 2 0 255.406 1.319 10 0 CDAERP CC(C)COCC[N@@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001484058395 915363642 /nfs/dbraw/zinc/36/36/42/915363642.db2.gz RCFXWSMMCIQHBC-INIZCTEOSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[N@@H+]1CC[C@@](C)(NC(=O)CCCC[NH+](C)C)C1 ZINC001484068139 915379732 /nfs/dbraw/zinc/37/97/32/915379732.db2.gz POHDADIRQMRJPB-OAHLLOKOSA-N 2 0 269.433 1.709 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001484071631 915385807 /nfs/dbraw/zinc/38/58/07/915385807.db2.gz LWTXDVSYWQULDO-ZFWWWQNUSA-N 2 0 285.407 1.411 10 0 CDAERP CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCn3cncc3C2)C1 ZINC001484100491 915434475 /nfs/dbraw/zinc/43/44/75/915434475.db2.gz NIUBEBRPWGYOQM-BBRMVZONSA-N 2 0 290.411 1.294 10 0 CDAERP CCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001484126068 915449385 /nfs/dbraw/zinc/44/93/85/915449385.db2.gz SRRYGBKRJFPTPA-ZBFHGGJFSA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)[NH+]1CCC(C)(CNC(=O)CC[NH+](C)C)CC1 ZINC001484142535 915463497 /nfs/dbraw/zinc/46/34/97/915463497.db2.gz UJZNXMPXILNPIP-UHFFFAOYSA-N 2 0 269.433 1.565 10 0 CDAERP CCC[NH2+]CC[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001484523021 915852378 /nfs/dbraw/zinc/85/23/78/915852378.db2.gz OKYVUJIZZIKUPH-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC2(C1)CC[NH+](CC1CC1)CC2 ZINC001484582798 915900266 /nfs/dbraw/zinc/90/02/66/915900266.db2.gz ZAXHTGXJCHBIGQ-UHFFFAOYSA-N 2 0 293.455 1.661 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1CCC[N@H+](CCO)CC1)[NH+](CC)CC ZINC001484722095 916104688 /nfs/dbraw/zinc/10/46/88/916104688.db2.gz RMKOCJSJAVPEST-GJZGRUSLSA-N 2 0 299.459 1.070 10 0 CDAERP CCCC[NH2+][C@@H](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001484994036 916379498 /nfs/dbraw/zinc/37/94/98/916379498.db2.gz DUBQJNNNDXMCLJ-ZDUSSCGKSA-N 2 0 269.433 1.755 10 0 CDAERP COCC[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720815498 935249703 /nfs/dbraw/zinc/24/97/03/935249703.db2.gz IZTSZJXIWFLJMM-AEJSXWLSSA-N 2 0 254.296 1.480 10 0 CDAERP Cc1cncc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CC[NH+](C)C)c1 ZINC001485190724 916652453 /nfs/dbraw/zinc/65/24/53/916652453.db2.gz RDZWNTWKKQBFLL-ZIAGYGMSSA-N 2 0 292.427 1.325 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+]Cc1cccnc1 ZINC001495816362 936396021 /nfs/dbraw/zinc/39/60/21/936396021.db2.gz UVAULSFQHLQBGY-AWEZNQCLSA-N 2 0 292.427 1.264 10 0 CDAERP CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001485617795 917131756 /nfs/dbraw/zinc/13/17/56/917131756.db2.gz IBUDEWGYULBBOX-FPCVCCKLSA-N 2 0 293.455 1.422 10 0 CDAERP O=C(CCC[NH+]1CCCCC1)N[C@H]1C[C@H](C[NH2+]CCF)C1 ZINC001485704878 917187326 /nfs/dbraw/zinc/18/73/26/917187326.db2.gz FAXWWUQHJXNHFG-SHTZXODSSA-N 2 0 299.434 1.706 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)[C@H]2CN(C)CCO2)CCCC1 ZINC001568233123 1169192260 /nfs/dbraw/zinc/19/22/60/1169192260.db2.gz SCNWGLITMFTVGK-CQSZACIVSA-N 2 0 297.443 1.136 10 0 CDAERP CN(C(=O)c1cccc(C[NH3+])c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000831905884 936545290 /nfs/dbraw/zinc/54/52/90/936545290.db2.gz SFTKQEKQEZBKMW-HNNXBMFYSA-N 2 0 273.380 1.454 10 0 CDAERP COC[C@H](C[NH+]1CCC(OCCC[NH3+])CC1)C(C)C ZINC000721917763 919165563 /nfs/dbraw/zinc/16/55/63/919165563.db2.gz JENAPKHLWNXUCX-AWEZNQCLSA-N 2 0 272.433 1.735 10 0 CDAERP CC[C@@H]1C[C@H](C[N@H+](C)CCN2CC[NH2+]CC2)CCO1 ZINC000843052593 919356984 /nfs/dbraw/zinc/35/69/84/919356984.db2.gz OEKLDSANDXFRNN-HUUCEWRRSA-N 2 0 269.433 1.029 10 0 CDAERP CC(C)[NH2+]C[C@H](C1CC1)N(C)C(=O)C[NH+]1CCCC1 ZINC001485832376 919512675 /nfs/dbraw/zinc/51/26/75/919512675.db2.gz BJRWFSKVWZNELA-CQSZACIVSA-N 2 0 267.417 1.317 10 0 CDAERP CCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001272822622 919756111 /nfs/dbraw/zinc/75/61/11/919756111.db2.gz GTCHWNMSLPAHTH-KGLIPLIRSA-N 2 0 269.433 1.755 10 0 CDAERP CCCC[NH2+][C@@H](C)CN(C)C(=O)Cn1cncc1C ZINC001485901086 920554757 /nfs/dbraw/zinc/55/47/57/920554757.db2.gz IXAYUYIYLVVJSF-LBPRGKRZSA-N 2 0 266.389 1.428 10 0 CDAERP Cc1cncc(C[NH2+][C@@H](C)CN(C)C(=O)CC[NH+](C)C)c1 ZINC001485918349 920575853 /nfs/dbraw/zinc/57/58/53/920575853.db2.gz DVWXJEYNEAMMGM-AWEZNQCLSA-N 2 0 292.427 1.278 10 0 CDAERP CCN1CC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC001140101798 936678988 /nfs/dbraw/zinc/67/89/88/936678988.db2.gz BWOBPCODJKCPQV-KGLIPLIRSA-N 2 0 265.401 1.214 10 0 CDAERP CCOCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001486134609 920740455 /nfs/dbraw/zinc/74/04/55/920740455.db2.gz LXENWBYFQMQADG-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001486303297 920879067 /nfs/dbraw/zinc/87/90/67/920879067.db2.gz NJXQLBUEOQYSQP-LSDHHAIUSA-N 2 0 299.459 1.067 10 0 CDAERP CCCCCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000834805554 936706805 /nfs/dbraw/zinc/70/68/05/936706805.db2.gz WFLHFAHQWOQOSS-IYBDPMFKSA-N 2 0 295.471 1.957 10 0 CDAERP COC(=O)N1CCC([NH2+][C@H](C)C2CC[NH2+]CC2)CC1 ZINC000689545257 936766256 /nfs/dbraw/zinc/76/62/56/936766256.db2.gz FHKYMUCCYBIDEL-LLVKDONJSA-N 2 0 269.389 1.195 10 0 CDAERP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000703839970 922822397 /nfs/dbraw/zinc/82/23/97/922822397.db2.gz YLUCWCMQQMWPLD-MJBXVCDLSA-N 2 0 270.442 1.413 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000704006192 922848968 /nfs/dbraw/zinc/84/89/68/922848968.db2.gz DMZQKIJCYORJIA-BARDWOONSA-N 2 0 279.428 1.589 10 0 CDAERP CC1(C)CO[C@@H](C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000709850449 923229099 /nfs/dbraw/zinc/22/90/99/923229099.db2.gz UGGSLLOXPPOSRU-HIFRSBDPSA-N 2 0 252.402 1.877 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001490924166 936831229 /nfs/dbraw/zinc/83/12/29/936831229.db2.gz YTXQGMROBOWRQF-QXKUPLGCSA-N 2 0 295.471 2.000 10 0 CDAERP CC(C)CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001495591307 936855826 /nfs/dbraw/zinc/85/58/26/936855826.db2.gz AAUJXVNKQUEMKH-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CCC[NH2+]C3CC3)CC2)C1 ZINC000923378633 923793337 /nfs/dbraw/zinc/79/33/37/923793337.db2.gz KMLWEXOTQITBDM-GOEBONIOSA-N 3 0 281.444 1.347 10 0 CDAERP CN(CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H](C[NH3+])C(F)(F)F ZINC000923396511 923805552 /nfs/dbraw/zinc/80/55/52/923805552.db2.gz DETFHFNCVDUPQD-FGNRJIRKSA-N 2 0 279.350 1.729 10 0 CDAERP CN(CC[NH2+]CCC1CC1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001493654429 923819769 /nfs/dbraw/zinc/81/97/69/923819769.db2.gz ZSXVBRFAFLLHFR-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H](c1ncccn1)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923441465 923837513 /nfs/dbraw/zinc/83/75/13/923837513.db2.gz LPEWAPVVLJZNLX-OLZOCXBDSA-N 2 0 276.384 1.367 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCC2CC2)CC1(C)C ZINC001410030051 924276247 /nfs/dbraw/zinc/27/62/47/924276247.db2.gz OKMZYBYIJRTAAD-CQSZACIVSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001410224124 925419243 /nfs/dbraw/zinc/41/92/43/925419243.db2.gz NNWQIWRHENEAGQ-XQLPTFJDSA-N 2 0 299.434 1.561 10 0 CDAERP CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)CCO1 ZINC001273269187 925692117 /nfs/dbraw/zinc/69/21/17/925692117.db2.gz XHFBHRGDMKZYNQ-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)CO[C@H]2CCC[NH2+]C2)cc1 ZINC000841848434 937017754 /nfs/dbraw/zinc/01/77/54/937017754.db2.gz LGHJUFWNXMKLME-WFASDCNBSA-N 2 0 291.395 1.091 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cc(C)no1 ZINC001494950414 926139365 /nfs/dbraw/zinc/13/93/65/926139365.db2.gz RUQLJFUEYAIZMC-JSGCOSHPSA-N 2 0 294.399 1.062 10 0 CDAERP C[N@H+](CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)CC1CC1 ZINC001490194843 927030990 /nfs/dbraw/zinc/03/09/90/927030990.db2.gz CCILZOUYLXZWKK-HNNXBMFYSA-N 2 0 279.428 1.176 10 0 CDAERP CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001411189797 927193402 /nfs/dbraw/zinc/19/34/02/927193402.db2.gz SKLXNUJZJVQIKD-LSDHHAIUSA-N 2 0 299.459 1.022 10 0 CDAERP C[C@H](C(=O)NC[C@@H]([NH2+]CCF)C1CC1)[NH+]1CCCCCC1 ZINC001490718322 927298195 /nfs/dbraw/zinc/29/81/95/927298195.db2.gz RNHCEDVQMCWKTB-UKRRQHHQSA-N 2 0 299.434 1.705 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]([NH2+]CC)C2CC2)C1 ZINC001490700159 927310211 /nfs/dbraw/zinc/31/02/11/927310211.db2.gz PIENDQHPIIWKCJ-LSDHHAIUSA-N 2 0 281.444 1.613 10 0 CDAERP C[N@H+](CCF)C[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001490775839 927340798 /nfs/dbraw/zinc/34/07/98/927340798.db2.gz DLSKXFNNAYKIJJ-UONOGXRCSA-N 2 0 285.407 1.078 10 0 CDAERP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)C[C@H]([NH3+])C1CC1 ZINC000843506761 937157093 /nfs/dbraw/zinc/15/70/93/937157093.db2.gz FDOZIEYMEUVFID-LSDHHAIUSA-N 2 0 273.380 1.199 10 0 CDAERP [NH3+]CCCCCCC(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000843514205 937157847 /nfs/dbraw/zinc/15/78/47/937157847.db2.gz UTBWQKVFVOZEJX-CYBMUJFWSA-N 2 0 267.417 1.687 10 0 CDAERP C(CC[NH+]1CCOCC1)C[NH2+][C@H]1COC2(CCC2)C1 ZINC000850423501 927429958 /nfs/dbraw/zinc/42/99/58/927429958.db2.gz AHRHENGZDCLXES-CQSZACIVSA-N 2 0 268.401 1.400 10 0 CDAERP C[C@H](CNC1=[NH+]CCCCN1)N(C)Cc1ccccc1 ZINC000697670512 937285638 /nfs/dbraw/zinc/28/56/38/937285638.db2.gz LOPKKPCBTYBDCU-CQSZACIVSA-N 2 0 274.412 1.836 10 0 CDAERP CC[NH+]1CCC(N2CCC[N@H+](C[C@H](O)C3CC3)CC2)CC1 ZINC000817284832 930470338 /nfs/dbraw/zinc/47/03/38/930470338.db2.gz BQEZKUFCZJSXRL-KRWDZBQOSA-N 2 0 295.471 1.249 10 0 CDAERP [NH3+]Cc1ccc2c(c1)CCCN2C(=O)CC1(C[NH3+])CC1 ZINC000818551739 930722986 /nfs/dbraw/zinc/72/29/86/930722986.db2.gz OKDYMPVQRZQUTF-UHFFFAOYSA-N 2 0 273.380 1.554 10 0 CDAERP CC(C)C[NH2+]C/C=C/CNC(=O)C[C@H](C)n1ccnc1 ZINC001274404292 931497955 /nfs/dbraw/zinc/49/79/55/931497955.db2.gz LOMHMXGIXHMHLD-NNTXTVRGSA-N 2 0 278.400 1.752 10 0 CDAERP CC[C@H](F)C[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001274609662 931519544 /nfs/dbraw/zinc/51/95/44/931519544.db2.gz LKJABUVHBMCXDQ-MFHOCJEASA-N 2 0 299.434 1.871 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001275219566 931702124 /nfs/dbraw/zinc/70/21/24/931702124.db2.gz UOAGCHSAJHZCPO-AWEZNQCLSA-N 2 0 279.428 1.675 10 0 CDAERP CC[NH2+]CC1CC(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001275330609 931735664 /nfs/dbraw/zinc/73/56/64/931735664.db2.gz DVODEJMRVYCTRW-UHFFFAOYSA-N 2 0 267.417 1.367 10 0 CDAERP C[C@@H]([NH2+]CC1CC1)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001275415939 931781918 /nfs/dbraw/zinc/78/19/18/931781918.db2.gz SAFHXEBVOVHDOI-NEPJUHHUSA-N 2 0 267.417 1.364 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001275542904 931864667 /nfs/dbraw/zinc/86/46/67/931864667.db2.gz WZSLBXHDLMDKEZ-KBPBESRZSA-N 2 0 279.428 1.531 10 0 CDAERP CCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001275864786 932102831 /nfs/dbraw/zinc/10/28/31/932102831.db2.gz BSXHZJXYVXVTEG-CHWSQXEVSA-N 2 0 255.406 1.317 10 0 CDAERP CCCCC[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001275914746 932127899 /nfs/dbraw/zinc/12/78/99/932127899.db2.gz CFAZSISNULTZSH-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP CC(C)CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001449013064 932253666 /nfs/dbraw/zinc/25/36/66/932253666.db2.gz GEUCGLKJNDPHQW-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP COCCC[NH+]1CCC([NH2+][C@@H](C)C(C)(C)CO)CC1 ZINC000924913575 932831869 /nfs/dbraw/zinc/83/18/69/932831869.db2.gz XQPHJEONZQZDPR-ZDUSSCGKSA-N 2 0 272.433 1.484 10 0 CDAERP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H]2CC[NH+](C)[C@H]2C)C[C@H]1C ZINC000925332425 932873009 /nfs/dbraw/zinc/87/30/09/932873009.db2.gz CEGWBULITNCGSV-ZOBORPQBSA-N 2 0 282.432 1.203 10 0 CDAERP C[C@@H]1CN(C(C)(C)C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)C[C@@H](C)O1 ZINC000925513532 932896465 /nfs/dbraw/zinc/89/64/65/932896465.db2.gz HPLDLRZTHMHZLM-KBUPBQIOSA-N 2 0 295.471 1.734 10 0 CDAERP CC(C)(C)S(=O)(=O)CC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925597134 932912308 /nfs/dbraw/zinc/91/23/08/932912308.db2.gz GTMPMFUQSVDQPU-NWDGAFQWSA-N 2 0 290.473 1.695 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2COC3(CCCC3)O2)C12CCC2 ZINC000925631332 932918465 /nfs/dbraw/zinc/91/84/65/932918465.db2.gz UPABPKYQLCURGE-UPJWGTAASA-N 2 0 266.385 1.532 10 0 CDAERP Cn1ccc(CC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)n1 ZINC000925638622 932918907 /nfs/dbraw/zinc/91/89/07/932918907.db2.gz DPFCREHCWQJDNH-HOTGVXAUSA-N 2 0 276.428 1.721 10 0 CDAERP CC1(C)CCC[N@H+](CCN[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925660190 932923480 /nfs/dbraw/zinc/92/34/80/932923480.db2.gz PNMVMUHHWXEPLO-CQSZACIVSA-N 2 0 265.445 1.983 10 0 CDAERP [NH3+][C@H](CCN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)Cc1ccccc1 ZINC000925724421 932932706 /nfs/dbraw/zinc/93/27/06/932932706.db2.gz AUDCTRRHYNWKAO-PYTCMNEWSA-N 2 0 285.435 1.533 10 0 CDAERP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)C(C)(C)CO ZINC000926309138 932980976 /nfs/dbraw/zinc/98/09/76/932980976.db2.gz QDYSEORVNLQWDU-LBPRGKRZSA-N 2 0 254.418 1.857 10 0 CDAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCC1CC=CC1 ZINC000926719081 933017973 /nfs/dbraw/zinc/01/79/73/933017973.db2.gz WEZWURCVHSFUSM-UHFFFAOYSA-N 2 0 296.459 1.478 10 0 CDAERP C[NH+](C)C1CCN(C(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000036192241 933644543 /nfs/dbraw/zinc/64/45/43/933644543.db2.gz ROJBNCAXGJJXHL-HNNXBMFYSA-N 2 0 275.396 1.629 10 0 CDAERP CS[C@@H]1CN(C(=O)[C@@H](C)CC[NH+](C)C)C[C@@H]1[NH+](C)C ZINC001412783023 934352612 /nfs/dbraw/zinc/35/26/12/934352612.db2.gz MJQRIUPGDQRSCE-RWMBFGLXSA-N 2 0 287.473 1.078 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC001413187518 935935704 /nfs/dbraw/zinc/93/57/04/935935704.db2.gz NHTFKBZDUUTQPB-MGPQQGTHSA-N 2 0 281.444 1.706 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000403578067 940926685 /nfs/dbraw/zinc/92/66/85/940926685.db2.gz RPDPLUJRRJKTPE-WODVXLOZSA-N 2 0 258.431 1.757 10 0 CDAERP COCCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001276851338 941642052 /nfs/dbraw/zinc/64/20/52/941642052.db2.gz AUEMTPMHXMBHCW-GJZGRUSLSA-N 2 0 297.443 1.086 10 0 CDAERP C[NH+]1CCC(CCNC(=O)CC[N@@H+]2CC[C@@H](F)C2)CC1 ZINC001362113478 970899979 /nfs/dbraw/zinc/89/99/79/970899979.db2.gz MNVJARRTNLLISO-CQSZACIVSA-N 2 0 285.407 1.268 10 0 CDAERP CC(C)[NH2+]CC1CC(NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001282013700 942644648 /nfs/dbraw/zinc/64/46/48/942644648.db2.gz JBLFMHAHFSXJME-RUXDESIVSA-N 2 0 269.433 1.465 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)CCC1CC1 ZINC001282497682 942723325 /nfs/dbraw/zinc/72/33/25/942723325.db2.gz PWBLOXVDDLFSCO-ZDUSSCGKSA-N 2 0 269.433 1.563 10 0 CDAERP CC[NH2+]CCC[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001283260079 942866799 /nfs/dbraw/zinc/86/67/99/942866799.db2.gz LGFCBFHYNQLCLM-CQSZACIVSA-N 2 0 269.433 1.613 10 0 CDAERP CC[NH2+]CCCOCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001277608048 943123508 /nfs/dbraw/zinc/12/35/08/943123508.db2.gz CLQMDLLZRNJONG-LSDHHAIUSA-N 2 0 297.443 1.136 10 0 CDAERP CCCC[NH2+]C1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001284815295 943260564 /nfs/dbraw/zinc/26/05/64/943260564.db2.gz ILRUKVAFKGLLAE-WLYUNCDWSA-N 2 0 281.444 1.707 10 0 CDAERP CC/C=C/CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001264410317 944129095 /nfs/dbraw/zinc/12/90/95/944129095.db2.gz MUFARGOSKROUNL-TXSMSCQPSA-N 2 0 293.455 1.779 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCCF)C1 ZINC001264421353 944133338 /nfs/dbraw/zinc/13/33/38/944133338.db2.gz DVFQKGKCHZUWCF-KKUMJFAQSA-N 2 0 299.434 1.703 10 0 CDAERP CC[N@H+](C)CCCNC(=O)CCCn1ccnc1C ZINC001265048314 944211152 /nfs/dbraw/zinc/21/11/52/944211152.db2.gz PLJDGFYNOOLSIM-UHFFFAOYSA-N 2 0 266.389 1.430 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CCF)C1CC1 ZINC001265156248 944253595 /nfs/dbraw/zinc/25/35/95/944253595.db2.gz SAMMGCAUTTXISD-ZDUSSCGKSA-N 2 0 271.380 1.021 10 0 CDAERP C[NH+](C)CC[C@@H]1CCN(C(=O)C[NH2+]C(C)(C)C)C1 ZINC000701421428 944446530 /nfs/dbraw/zinc/44/65/30/944446530.db2.gz GQRRILMTLIZNIY-GFCCVEGCSA-N 2 0 255.406 1.175 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001265917376 944572793 /nfs/dbraw/zinc/57/27/93/944572793.db2.gz MGCSYVJBKMCOEJ-CYBMUJFWSA-N 2 0 287.423 1.514 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CC[C@H]([NH2+]CCC2CC2)C1 ZINC001265942166 944586099 /nfs/dbraw/zinc/58/60/99/944586099.db2.gz XIGYTJGAKXXSPX-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC2([NH+](C)C)CCC2)C1 ZINC001362356831 971186565 /nfs/dbraw/zinc/18/65/65/971186565.db2.gz SQIINZLRYIIOLE-KGLIPLIRSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[NH2+][C@H]1C[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001479408970 971320919 /nfs/dbraw/zinc/32/09/19/971320919.db2.gz OUYUYLBYRAPDBV-IHRRRGAJSA-N 2 0 267.417 1.221 10 0 CDAERP COCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001479474217 971330088 /nfs/dbraw/zinc/33/00/88/971330088.db2.gz FFJZTOLJJMPOKC-RRFJBIMHSA-N 2 0 299.459 1.094 10 0 CDAERP CN(CCF)C[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001479738583 971390663 /nfs/dbraw/zinc/39/06/63/971390663.db2.gz JSBBSWVVGZZPNH-AWEZNQCLSA-N 2 0 287.423 1.611 10 0 CDAERP COCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[NH+]2CCCCC2)C1 ZINC001278424696 947887551 /nfs/dbraw/zinc/88/75/51/947887551.db2.gz VGPLAIDIVKWAAQ-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)CCC(C)C ZINC001479860703 971456281 /nfs/dbraw/zinc/45/62/81/971456281.db2.gz QGLFSHCLBYCWII-OAHLLOKOSA-N 2 0 283.460 1.812 10 0 CDAERP CCOCC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001278989696 948521016 /nfs/dbraw/zinc/52/10/16/948521016.db2.gz ODRXAMKFMKXKSE-KGLIPLIRSA-N 2 0 299.459 1.238 10 0 CDAERP C[C@@H](C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)C[NH+](C)C ZINC000724096305 948627926 /nfs/dbraw/zinc/62/79/26/948627926.db2.gz JCJMQDFRNCVLCZ-DTWKUNHWSA-N 2 0 292.292 1.722 10 0 CDAERP CC[C@@H]1CN(C(=O)C2CC[NH+](CC(C)C)CC2)C[C@H](C)[NH2+]1 ZINC001362698476 971539813 /nfs/dbraw/zinc/53/98/13/971539813.db2.gz JAXHRTZNTCPLKO-GOEBONIOSA-N 2 0 295.471 1.953 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccsc2)C1 ZINC001480154695 971605477 /nfs/dbraw/zinc/60/54/77/971605477.db2.gz UNFWUBHOWRFGSA-HDJSIYSDSA-N 2 0 295.452 1.827 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001480167849 971611276 /nfs/dbraw/zinc/61/12/76/971611276.db2.gz QAPALBNHYMKTMS-AJNGGQMLSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001480804315 971885939 /nfs/dbraw/zinc/88/59/39/971885939.db2.gz UEFZIENETUWDOG-UONOGXRCSA-N 2 0 269.433 1.469 10 0 CDAERP C[C@H](CNC(=O)c1cccc(CC[NH+](C)C)c1)C[NH+](C)C ZINC001363107196 971894299 /nfs/dbraw/zinc/89/42/99/971894299.db2.gz LBAODTABVJXLNB-CQSZACIVSA-N 2 0 291.439 1.718 10 0 CDAERP CCC[NH2+]C[C@]1(C)CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001324741967 953553474 /nfs/dbraw/zinc/55/34/74/953553474.db2.gz OTGONKKFDHJWNW-INIZCTEOSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001569152030 1169694592 /nfs/dbraw/zinc/69/45/92/1169694592.db2.gz STEDZUQKYIDPRP-KGLIPLIRSA-N 2 0 267.417 1.341 10 0 CDAERP CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1nccnc1C[NH3+] ZINC001363752468 953745655 /nfs/dbraw/zinc/74/56/55/953745655.db2.gz ZBAPSZCKXSGPRG-HIFRSBDPSA-N 2 0 289.427 1.634 10 0 CDAERP C[C@H]1OCC[C@@H]1C[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001364508933 954709012 /nfs/dbraw/zinc/70/90/12/954709012.db2.gz CHZQKEIPJNEKOJ-ZIAGYGMSSA-N 2 0 282.428 1.644 10 0 CDAERP CN(CC[NH+]1CCCCC1)C(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC001328846207 955508824 /nfs/dbraw/zinc/50/88/24/955508824.db2.gz LUSSGWGBAKHNKE-ZIAGYGMSSA-N 2 0 267.417 1.448 10 0 CDAERP CC[C@@H](C(=O)NCC1([NH2+]CC[C@@H](C)F)CCC1)[NH+](C)C ZINC001421792559 955547844 /nfs/dbraw/zinc/54/78/44/955547844.db2.gz NHYZEJJJOWUJCX-OLZOCXBDSA-N 2 0 287.423 1.703 10 0 CDAERP Cc1ncc(C[NH2+]CCN(C)C(=O)C[NH+]2CCCC2)s1 ZINC001493793719 972115613 /nfs/dbraw/zinc/11/56/13/972115613.db2.gz KSQJPDQNGHJSGK-UHFFFAOYSA-N 2 0 296.440 1.095 10 0 CDAERP CCC[NH2+]CCCN(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001569214617 1169724624 /nfs/dbraw/zinc/72/46/24/1169724624.db2.gz MDRBWUGRTINQDE-UHFFFAOYSA-N 2 0 299.459 1.193 10 0 CDAERP CC(C)=CC[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001492373308 955838160 /nfs/dbraw/zinc/83/81/60/955838160.db2.gz HXXSFLAEZRENIX-CYBMUJFWSA-N 2 0 253.390 1.095 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](C)CN2CCOCC2)C[C@@H]1C ZINC001365284320 955827377 /nfs/dbraw/zinc/82/73/77/955827377.db2.gz BXLZHCHTKDVYGK-ULQDDVLXSA-N 2 0 297.487 1.759 10 0 CDAERP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1cncs1 ZINC001422377928 955969959 /nfs/dbraw/zinc/96/99/59/955969959.db2.gz HTLRJPPPSVAADE-QWRGUYRKSA-N 2 0 284.429 1.078 10 0 CDAERP CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001329575527 955995504 /nfs/dbraw/zinc/99/55/04/955995504.db2.gz VDUGVQMVKSCRRX-UONOGXRCSA-N 2 0 269.433 1.706 10 0 CDAERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]Cc1nccs1 ZINC001422428053 955996812 /nfs/dbraw/zinc/99/68/12/955996812.db2.gz IIXFUSIGWSNXIA-NWDGAFQWSA-N 2 0 296.440 1.222 10 0 CDAERP CC[N@H+](C)[C@H]1CCN(C(=O)NC[C@H]2CCCC[NH+]2C)C1 ZINC001365442390 956039008 /nfs/dbraw/zinc/03/90/08/956039008.db2.gz AUCUNBIXDIEYCT-KGLIPLIRSA-N 2 0 282.432 1.206 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001422660994 956238809 /nfs/dbraw/zinc/23/88/09/956238809.db2.gz NTVNHKFCVJNYEY-RYUDHWBXSA-N 2 0 273.396 1.313 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CC1CC1 ZINC001422822932 956388265 /nfs/dbraw/zinc/38/82/65/956388265.db2.gz DDTNJYWHRQORDN-HIFRSBDPSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CC[N@H+](C)[C@@H](C(C)(C)C)C1 ZINC001363465134 972187423 /nfs/dbraw/zinc/18/74/23/972187423.db2.gz URQFWKDEASHCIZ-ZIAGYGMSSA-N 2 0 283.460 1.763 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001366004152 956503926 /nfs/dbraw/zinc/50/39/26/956503926.db2.gz ORCUSJBLPIMLDC-CABCVRRESA-N 2 0 299.434 1.801 10 0 CDAERP C[C@H](F)CC[NH+]1CCC2(C[C@@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001366024487 956516934 /nfs/dbraw/zinc/51/69/34/956516934.db2.gz SFHKYDHUOQIKJP-KBPBESRZSA-N 2 0 299.434 1.657 10 0 CDAERP CCC[NH2+][C@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001366091655 956558908 /nfs/dbraw/zinc/55/89/08/956558908.db2.gz MPOOTIXDUGZVDO-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP CC(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001366424224 956810671 /nfs/dbraw/zinc/81/06/71/956810671.db2.gz BMZOATAQDHKNHN-JKSUJKDBSA-N 2 0 295.471 1.907 10 0 CDAERP CC[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1nocc1C)[NH+](C)C ZINC001366481011 956864665 /nfs/dbraw/zinc/86/46/65/956864665.db2.gz UHBJWQBOIONVCB-GXTWGEPZSA-N 2 0 296.415 1.308 10 0 CDAERP C[C@@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccsc1 ZINC001366510723 956895587 /nfs/dbraw/zinc/89/55/87/956895587.db2.gz QOBGWIWIRRGCDW-ZDUSSCGKSA-N 2 0 295.452 1.828 10 0 CDAERP COC[C@@H](C)[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C(C)(C)C ZINC001423612337 956903223 /nfs/dbraw/zinc/90/32/23/956903223.db2.gz CGLQSQTVBQJDDS-KGLIPLIRSA-N 2 0 299.459 1.238 10 0 CDAERP CC(C)CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001423690955 956941893 /nfs/dbraw/zinc/94/18/93/956941893.db2.gz BXDWMMJPIQKZBX-WLYUNCDWSA-N 2 0 281.444 1.563 10 0 CDAERP O=C(NC[C@H]([NH2+]CCCF)C1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001317013904 957202582 /nfs/dbraw/zinc/20/25/82/957202582.db2.gz QEAWBOKYNCSEEB-CABCVRRESA-N 2 0 297.418 1.172 10 0 CDAERP CC/C=C/CC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001317065931 957241509 /nfs/dbraw/zinc/24/15/09/957241509.db2.gz WKSGILLJALTFLM-NFAHFFEMSA-N 2 0 281.444 1.875 10 0 CDAERP CC(C)OCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001317105887 957274079 /nfs/dbraw/zinc/27/40/79/957274079.db2.gz YCYHGYRJHIXTSK-QLFBSQMISA-N 2 0 297.443 1.133 10 0 CDAERP CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+][C@H](C)COC)[NH+](C)C ZINC001424676288 957296136 /nfs/dbraw/zinc/29/61/36/957296136.db2.gz JAGAKUUOYPJMOK-QLFBSQMISA-N 2 0 299.459 1.332 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]C(C)C ZINC001569270399 1169741745 /nfs/dbraw/zinc/74/17/45/1169741745.db2.gz UOYFYFALNFWNLP-CQSZACIVSA-N 2 0 269.433 1.707 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CCC[C@H](C[NH2+]CCCF)C1 ZINC001317163921 957314299 /nfs/dbraw/zinc/31/42/99/957314299.db2.gz OPCYDNUZDKHAHT-CQSZACIVSA-N 2 0 285.407 1.270 10 0 CDAERP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001367061133 957375905 /nfs/dbraw/zinc/37/59/05/957375905.db2.gz QBXYFAVGEHPDPI-HNNXBMFYSA-N 2 0 290.411 1.066 10 0 CDAERP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H](C)[NH2+]C/C=C/Cl ZINC001424836792 957377358 /nfs/dbraw/zinc/37/73/58/957377358.db2.gz XGXUUZPPNFANFD-JZUADKBYSA-N 2 0 287.835 1.564 10 0 CDAERP CC[C@H](C(=O)N1CC[C@@H](C[NH2+]CCOC(C)C)C1)[NH+](C)C ZINC001317345052 957432238 /nfs/dbraw/zinc/43/22/38/957432238.db2.gz VXBXUENGUHJQBM-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCNC(=O)[C@H](CC)[NH+](C)C ZINC001317462140 957493170 /nfs/dbraw/zinc/49/31/70/957493170.db2.gz ZFYGFVLMROOZMV-OLZOCXBDSA-N 2 0 257.422 1.421 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+](CCCCCF)C2)C1 ZINC001317534381 957534094 /nfs/dbraw/zinc/53/40/94/957534094.db2.gz KCWUHTHGCOHVBD-HUUCEWRRSA-N 2 0 299.434 1.516 10 0 CDAERP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1nccs1 ZINC001367129254 957695121 /nfs/dbraw/zinc/69/51/21/957695121.db2.gz SONVAFJEYSNVPI-LLVKDONJSA-N 2 0 284.429 1.079 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CC[C@@H](C[N@H+](C)CCF)C1 ZINC001317856661 957697282 /nfs/dbraw/zinc/69/72/82/957697282.db2.gz IJRKHIWEPKBNDT-AWEZNQCLSA-N 2 0 287.423 1.468 10 0 CDAERP CC[C@H](C(=O)NCC1C[NH+](CC=C(C)C)C1)[NH+](C)C ZINC001318128898 957934224 /nfs/dbraw/zinc/93/42/24/957934224.db2.gz ABTDMPMYZGTTNT-CQSZACIVSA-N 2 0 267.417 1.341 10 0 CDAERP CC(C)C[NH2+]C[C@H](CC(C)C)NC(=O)C[NH+]1CCCC1 ZINC001367427334 958009925 /nfs/dbraw/zinc/00/99/25/958009925.db2.gz XIQJKISXAVSAET-HNNXBMFYSA-N 2 0 283.460 1.859 10 0 CDAERP CCCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001333070647 958054681 /nfs/dbraw/zinc/05/46/81/958054681.db2.gz MBMBMPFGEPHDQP-XSCHDIRWSA-N 2 0 281.444 1.706 10 0 CDAERP CCOCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001318414680 958094141 /nfs/dbraw/zinc/09/41/41/958094141.db2.gz VGMQEHCNHJDZTG-GJZGRUSLSA-N 2 0 299.459 1.142 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001319283698 958476404 /nfs/dbraw/zinc/47/64/04/958476404.db2.gz DYLAMBFGOJDYAG-CYBMUJFWSA-N 2 0 257.422 1.325 10 0 CDAERP CN(C(=O)CC[NH+](C)C)C1C[NH+](CC[C@@H]2CCCCO2)C1 ZINC001368081411 958622510 /nfs/dbraw/zinc/62/25/10/958622510.db2.gz CKKAZXJGDQVIEI-HNNXBMFYSA-N 2 0 297.443 1.040 10 0 CDAERP CC[NH2+]C[C@H](C)N(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001319593027 958643920 /nfs/dbraw/zinc/64/39/20/958643920.db2.gz LOLBQDCUOHCKNT-KBPBESRZSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001368349354 958782288 /nfs/dbraw/zinc/78/22/88/958782288.db2.gz XBMZZQCGFRPRQV-GJZGRUSLSA-N 2 0 283.460 1.809 10 0 CDAERP C[C@@H](F)CC[NH2+]C1(CNC(=O)C[N@H+](C)C2CCC2)CCC1 ZINC001368477335 958890833 /nfs/dbraw/zinc/89/08/33/958890833.db2.gz PRFFAZZAXWGIFC-CYBMUJFWSA-N 2 0 299.434 1.847 10 0 CDAERP CC[C@@H](C(=O)N1CCC(CC)([NH2+]C[C@@H](C)O)CC1)[NH+](C)C ZINC001368597638 958989949 /nfs/dbraw/zinc/98/99/49/958989949.db2.gz HQTOXPJILFYRJR-KGLIPLIRSA-N 2 0 299.459 1.068 10 0 CDAERP Cc1n[nH]c(=O)c(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)c1C ZINC001334390208 959079841 /nfs/dbraw/zinc/07/98/41/959079841.db2.gz MARYYWLFEZGNFA-NWDGAFQWSA-N 2 0 262.357 1.159 10 0 CDAERP CO[C@H](C)C[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1C ZINC001368766531 959114063 /nfs/dbraw/zinc/11/40/63/959114063.db2.gz HJDPIVYTRQLUPI-MCIONIFRSA-N 2 0 297.443 1.085 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CCC2)[C@@H]1C)[NH+](C)C ZINC001368777146 959118533 /nfs/dbraw/zinc/11/85/33/959118533.db2.gz MAAYWWNXVQFXKL-KBMXLJTQSA-N 2 0 295.471 1.952 10 0 CDAERP CC(C)C[NH2+]C/C=C/CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001321110711 959598003 /nfs/dbraw/zinc/59/80/03/959598003.db2.gz MQFLWRPLTZIARP-SWJNODNISA-N 2 0 293.455 1.921 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CC2CC2)C1 ZINC001369271859 959598575 /nfs/dbraw/zinc/59/85/75/959598575.db2.gz WMHDCTBAEJBRTM-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]Cc2ccns2)CN1C(=O)CC[NH+](C)C ZINC001369404920 959668695 /nfs/dbraw/zinc/66/86/95/959668695.db2.gz OFMTUFSFATUGCZ-VXGBXAGGSA-N 2 0 296.440 1.174 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1CC[NH+](CC2CCC2)C1 ZINC001369984154 959945396 /nfs/dbraw/zinc/94/53/96/959945396.db2.gz DWKRFVQYSSFDEC-HOTGVXAUSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@@H](C[NH2+]CCCF)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001322003841 960050496 /nfs/dbraw/zinc/05/04/96/960050496.db2.gz DGHODBLQLGDOJG-KBPBESRZSA-N 2 0 287.423 1.705 10 0 CDAERP CC[NH2+]CCCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001322845828 960341364 /nfs/dbraw/zinc/34/13/64/960341364.db2.gz YCPHBVZCWBKRGO-UHFFFAOYSA-N 2 0 255.406 1.320 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]CC1=CCCCC1)C1CC1 ZINC001323065077 960427150 /nfs/dbraw/zinc/42/71/50/960427150.db2.gz JPZZBALYCIOTIB-INIZCTEOSA-N 2 0 293.455 1.923 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001323356365 960677292 /nfs/dbraw/zinc/67/72/92/960677292.db2.gz JCNDRPQOMTXCSW-XHPSBEMXSA-N 2 0 281.444 1.873 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001418620867 960807874 /nfs/dbraw/zinc/80/78/74/960807874.db2.gz UIXSCNOTMJQEKV-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001433970177 960829361 /nfs/dbraw/zinc/82/93/61/960829361.db2.gz SLOAKKNYVUHHOP-HIFRSBDPSA-N 2 0 281.444 1.707 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CC[NH+](CC2CC2)C1 ZINC001418656189 960856840 /nfs/dbraw/zinc/85/68/40/960856840.db2.gz GQRUCZVWMLIIIT-HOTGVXAUSA-N 2 0 293.455 1.709 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001418678025 960892817 /nfs/dbraw/zinc/89/28/17/960892817.db2.gz YWJMBOCXNSKSPH-MRXNPFEDSA-N 2 0 289.423 1.576 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCCF)[C@@H]1C ZINC001418820573 961067460 /nfs/dbraw/zinc/06/74/60/961067460.db2.gz PEQBLHMQFFTMSA-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCF)CC(C)(C)C1 ZINC001418826445 961073302 /nfs/dbraw/zinc/07/33/02/961073302.db2.gz NEUSAMMPCVAXCP-ZDUSSCGKSA-N 2 0 287.423 1.514 10 0 CDAERP CC[C@@H](C(=O)NCC1C[NH+](CC[C@@H](C)F)C1)[NH+](C)C ZINC001419036734 961290592 /nfs/dbraw/zinc/29/05/92/961290592.db2.gz UVVWMAAEVGIBTG-YPMHNXCESA-N 2 0 273.396 1.123 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC1(C)CC[NH+](C(C)C)CC1 ZINC001324344890 961323144 /nfs/dbraw/zinc/32/31/44/961323144.db2.gz ZYZQVJIPFABDNU-UHFFFAOYSA-N 2 0 269.433 1.706 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[NH2+]CC(C)C ZINC001419187847 961486996 /nfs/dbraw/zinc/48/69/96/961486996.db2.gz YFADKACZZFJEGT-HUUCEWRRSA-N 2 0 283.460 2.000 10 0 CDAERP CC[N@H+](C)[C@@H]1CCN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC001434817880 961965732 /nfs/dbraw/zinc/96/57/32/961965732.db2.gz VMOFOGSAWPXUFL-MCIONIFRSA-N 2 0 282.432 1.062 10 0 CDAERP CC(C)CC[NH+]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001434861643 962012551 /nfs/dbraw/zinc/01/25/51/962012551.db2.gz WUMKPIRUONUPHW-MRXNPFEDSA-N 2 0 293.455 1.519 10 0 CDAERP C[C@]1(CO)CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001339224333 962253635 /nfs/dbraw/zinc/25/36/35/962253635.db2.gz MGYSKEMQSZBAPF-DKUMPPAJSA-N 2 0 252.402 1.611 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001436903053 962485339 /nfs/dbraw/zinc/48/53/39/962485339.db2.gz QIUVOOGXPHTAEZ-KBUPBQIOSA-N 2 0 299.434 1.846 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccns2)C1 ZINC001436938008 962508794 /nfs/dbraw/zinc/50/87/94/962508794.db2.gz XJXBQKPWTQRUIK-HAQNSBGRSA-N 2 0 296.440 1.220 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001436958044 962526167 /nfs/dbraw/zinc/52/61/67/962526167.db2.gz FZPRLMCQJJDUPS-KBXIAJHMSA-N 2 0 281.444 1.754 10 0 CDAERP C[C@@H](CCNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CCF ZINC001437401630 962862599 /nfs/dbraw/zinc/86/25/99/962862599.db2.gz VIDRACHOOYOSNT-LBPRGKRZSA-N 2 0 273.396 1.315 10 0 CDAERP C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cccnc1 ZINC001437421511 962875587 /nfs/dbraw/zinc/87/55/87/962875587.db2.gz JPVDHNQSINBEBT-HIFRSBDPSA-N 2 0 290.411 1.018 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001420514065 962994180 /nfs/dbraw/zinc/99/41/80/962994180.db2.gz BUIVPMFRXQWGFP-UONOGXRCSA-N 2 0 299.459 1.236 10 0 CDAERP CCc1nocc1C[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001420516712 963001813 /nfs/dbraw/zinc/00/18/13/963001813.db2.gz KUFVEGRSKKZAHY-LBPRGKRZSA-N 2 0 296.415 1.172 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CC[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001420538357 963031474 /nfs/dbraw/zinc/03/14/74/963031474.db2.gz ZMEPLDLFRFXWFC-ZIAGYGMSSA-N 2 0 299.434 1.657 10 0 CDAERP CCC[N@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)CC(C)C ZINC001437755484 963162884 /nfs/dbraw/zinc/16/28/84/963162884.db2.gz XIVOPBISBRYKDM-INIZCTEOSA-N 2 0 295.471 1.812 10 0 CDAERP C[N@H+](CCCF)C[C@@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001438003857 963281010 /nfs/dbraw/zinc/28/10/10/963281010.db2.gz WVZRWTSEGPESJL-CABCVRRESA-N 2 0 299.434 1.468 10 0 CDAERP CC[C@H](C)C[NH+]1CC(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001438128058 963335348 /nfs/dbraw/zinc/33/53/48/963335348.db2.gz KTNKKPQJBQIPLF-GOEBONIOSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@H](C[N@H+](C)CCC2CC2)C1 ZINC001420950216 963383264 /nfs/dbraw/zinc/38/32/64/963383264.db2.gz WGRIEVZQIVEVMD-OAHLLOKOSA-N 2 0 281.444 1.519 10 0 CDAERP CC(C)C[C@H](C[NH2+]C(C)C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001438724396 963536000 /nfs/dbraw/zinc/53/60/00/963536000.db2.gz ACJOFWPRPICTEG-HUUCEWRRSA-N 2 0 283.460 2.000 10 0 CDAERP CC(C)C[C@@H](C[NH2+]CC1CC1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001438737693 963539971 /nfs/dbraw/zinc/53/99/71/963539971.db2.gz SYOCOJHXRGEIPD-ZBFHGGJFSA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccns1 ZINC001438833239 963564742 /nfs/dbraw/zinc/56/47/42/963564742.db2.gz VWGSHEMIQAOMDZ-CYBMUJFWSA-N 2 0 298.456 1.325 10 0 CDAERP Cc1cccc(C[N@@H+](C)CCN(C)C(=O)CC[NH+](C)C)c1 ZINC001438902837 963596818 /nfs/dbraw/zinc/59/68/18/963596818.db2.gz BAIZZJKHXYBWDS-UHFFFAOYSA-N 2 0 291.439 1.837 10 0 CDAERP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(C)cc1 ZINC001421434591 963604152 /nfs/dbraw/zinc/60/41/52/963604152.db2.gz DWEZMZRVKLUZAZ-MRXNPFEDSA-N 2 0 291.439 1.931 10 0 CDAERP C[C@H](C[NH2+]Cc1ccns1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001439154254 963658705 /nfs/dbraw/zinc/65/87/05/963658705.db2.gz OJNSMXWUGGSMBA-NWDGAFQWSA-N 2 0 296.440 1.079 10 0 CDAERP CC1CC(C[NH+]2CCC(C)(NC(=O)CC[NH+](C)C)CC2)C1 ZINC001439801342 963865487 /nfs/dbraw/zinc/86/54/87/963865487.db2.gz CGYYGBRGLOWRCS-UHFFFAOYSA-N 2 0 295.471 1.955 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CC2(C1)CC[NH+](CC)CC2 ZINC001440229097 963949446 /nfs/dbraw/zinc/94/94/46/963949446.db2.gz XWBNUZSUMJODBC-CQSZACIVSA-N 2 0 299.434 1.611 10 0 CDAERP CO[C@H](C)C[NH2+]C1(C)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001440612145 964119567 /nfs/dbraw/zinc/11/95/67/964119567.db2.gz BDXMSFSIEFPCHY-CQSZACIVSA-N 2 0 297.443 1.088 10 0 CDAERP CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C1CC1 ZINC001441209878 964420133 /nfs/dbraw/zinc/42/01/33/964420133.db2.gz UAUFVDWBAUGEKV-GJZGRUSLSA-N 2 0 281.444 1.611 10 0 CDAERP CC[C@H](C)C[NH+]1CC([C@H](C)NC(=O)CC[N@H+](C)CC)C1 ZINC001441222557 964423482 /nfs/dbraw/zinc/42/34/82/964423482.db2.gz ZOGOOHWMSWBEJX-KBPBESRZSA-N 2 0 283.460 1.811 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]CCC(C)C)CC[N@@H+]1C ZINC001441873853 964764156 /nfs/dbraw/zinc/76/41/56/964764156.db2.gz XETNVVQKBUHTLS-QLFBSQMISA-N 2 0 283.460 1.857 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001441951943 964805520 /nfs/dbraw/zinc/80/55/20/964805520.db2.gz VGDFBPQPOQQQKW-KKUMJFAQSA-N 2 0 283.460 1.857 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CCC[C@@H]([N@@H+](C)CC)C1 ZINC001442193075 964901080 /nfs/dbraw/zinc/90/10/80/964901080.db2.gz GBYSKRURXGUHKL-ZIAGYGMSSA-N 2 0 287.423 1.609 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)C1CC[NH+](CCCF)CC1 ZINC001442207435 964921095 /nfs/dbraw/zinc/92/10/95/964921095.db2.gz AYEZOCNQVUMKON-CYBMUJFWSA-N 2 0 287.423 1.514 10 0 CDAERP CC1=CC[N@H+](CCNC(=O)CC[NH+]2CC[C@H](F)C2)CC1 ZINC001556445559 965042563 /nfs/dbraw/zinc/04/25/63/965042563.db2.gz ZRWFJYFGMVKJIX-AWEZNQCLSA-N 2 0 283.391 1.189 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C[NH+](C)C ZINC001556805308 965105952 /nfs/dbraw/zinc/10/59/52/965105952.db2.gz HSDGBKBGWXEAAM-RDBSUJKOSA-N 2 0 269.433 1.421 10 0 CDAERP CC(C)CC[N@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)C1CC1 ZINC001443031861 965329006 /nfs/dbraw/zinc/32/90/06/965329006.db2.gz NDGHVXQUJBCXMI-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@@H+]1CCCN(C(=O)[C@H](C)CC[NH+](C)C)CC1 ZINC001443102029 965356877 /nfs/dbraw/zinc/35/68/77/965356877.db2.gz TUNVBYLCUKFRAN-CQSZACIVSA-N 2 0 269.433 1.517 10 0 CDAERP CC(C)C[NH+]1CCC(NC(=O)CC[N@@H+]2CC[C@@H](F)C2)CC1 ZINC001443307856 965431576 /nfs/dbraw/zinc/43/15/76/965431576.db2.gz DHOCREABXXXLEM-CQSZACIVSA-N 2 0 299.434 1.657 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001444247959 965768229 /nfs/dbraw/zinc/76/82/29/965768229.db2.gz UWFRQMSAFQJOKQ-HZPDHXFCSA-N 2 0 295.471 1.909 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+]2CC)C1 ZINC001444890866 965991957 /nfs/dbraw/zinc/99/19/57/965991957.db2.gz DVCKFXCAJUQQAC-KBPBESRZSA-N 2 0 267.417 1.271 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC001349473024 966359639 /nfs/dbraw/zinc/35/96/39/966359639.db2.gz LDOARLSYGFMQKV-QKPAOTATSA-N 2 0 295.471 1.988 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1CC1CCCCC1 ZINC001446081852 966441569 /nfs/dbraw/zinc/44/15/69/966441569.db2.gz AHGJFZRXQKVOQW-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@@]1(NC(=O)C[NH+]2CCCC2)CC[N@H+](CC2CCC2)C1 ZINC001446555470 966579638 /nfs/dbraw/zinc/57/96/38/966579638.db2.gz GDWJGWBLXALBGB-MRXNPFEDSA-N 2 0 279.428 1.463 10 0 CDAERP C[C@@H]([NH2+]Cc1ccns1)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001447910980 966928075 /nfs/dbraw/zinc/92/80/75/966928075.db2.gz WJNQZZRZOABLRT-NEPJUHHUSA-N 2 0 298.456 1.468 10 0 CDAERP CC[NH2+][C@@H](CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)C ZINC001448219785 967034667 /nfs/dbraw/zinc/03/46/67/967034667.db2.gz UBIQKCWSNUKOCQ-CABCVRRESA-N 2 0 283.460 1.811 10 0 CDAERP CO[C@@H](C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001448272514 967055409 /nfs/dbraw/zinc/05/54/09/967055409.db2.gz XOHMGOGQOQVUAZ-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3([NH+](C)C)CCC3)C[C@H]2C1 ZINC001448460069 967117470 /nfs/dbraw/zinc/11/74/70/967117470.db2.gz JSPDXYAOMLJIIE-SOUVJXGZSA-N 2 0 293.455 1.707 10 0 CDAERP CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1 ZINC001448460075 967118285 /nfs/dbraw/zinc/11/82/85/967118285.db2.gz JSPDXYAOMLJIIE-ZNMIVQPWSA-N 2 0 293.455 1.707 10 0 CDAERP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC1CCC1 ZINC001448649940 967192277 /nfs/dbraw/zinc/19/22/77/967192277.db2.gz MPCXGKCBIJQLCJ-UMVBOHGHSA-N 2 0 281.444 1.563 10 0 CDAERP O=C(CC[N@H+]1CC[C@@H](F)C1)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC001449065676 967350630 /nfs/dbraw/zinc/35/06/30/967350630.db2.gz MVMOETATLJTANS-HIFRSBDPSA-N 2 0 297.418 1.553 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N(C)CC(C)(C)C[NH+](C)C)C1 ZINC001472263209 968498524 /nfs/dbraw/zinc/49/85/24/968498524.db2.gz OYPFPCBELOQJFK-ZDUSSCGKSA-N 2 0 269.433 1.374 10 0 CDAERP C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001457770830 969219926 /nfs/dbraw/zinc/21/99/26/969219926.db2.gz DLPSVQWFXXQCGS-ILXRZTDVSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H](CNC(=O)CCCn1ccnc1)[N@@H+]1CCC[C@@H](C)C1 ZINC001464152487 969772643 /nfs/dbraw/zinc/77/26/43/969772643.db2.gz NKICGGRLKKOEBF-HUUCEWRRSA-N 2 0 292.427 1.900 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH+](C)C2CC2)C1 ZINC001464502577 969791903 /nfs/dbraw/zinc/79/19/03/969791903.db2.gz BXPAEJXNQOXJTQ-CYBMUJFWSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@H](CNC(=O)CC[N@@H+]1CC[C@@H](F)C1)[NH+]1CCC(C)CC1 ZINC001361692764 970429436 /nfs/dbraw/zinc/42/94/36/970429436.db2.gz PCNYFVUBFADAIK-HUUCEWRRSA-N 2 0 299.434 1.657 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001361764523 970506225 /nfs/dbraw/zinc/50/62/25/970506225.db2.gz JTFRDKDQTWEGRS-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1coc(C)n1)[NH+](C)C ZINC001495692376 972597466 /nfs/dbraw/zinc/59/74/66/972597466.db2.gz VGZLHJVCDYFKQZ-SMDDNHRTSA-N 2 0 296.415 1.165 10 0 CDAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C[NH2+]CCCF ZINC001495742861 972617566 /nfs/dbraw/zinc/61/75/66/972617566.db2.gz KAXQTIFVPYPFJY-QWHCGFSZSA-N 2 0 273.396 1.030 10 0 CDAERP CC[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1cc(C)no1)[NH+](C)C ZINC001371777547 972635862 /nfs/dbraw/zinc/63/58/62/972635862.db2.gz ZDDLQUKIBMFOLR-BXUZGUMPSA-N 2 0 296.415 1.308 10 0 CDAERP C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cncs1 ZINC001371885754 972671410 /nfs/dbraw/zinc/67/14/10/972671410.db2.gz XRXUDRCLUIYGPZ-RYUDHWBXSA-N 2 0 296.440 1.079 10 0 CDAERP C[C@@H](C[NH2+]CCC1CC1)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001496078222 972788444 /nfs/dbraw/zinc/78/84/44/972788444.db2.gz GDHMMLNRYXMDFL-ZDUSSCGKSA-N 2 0 281.444 1.707 10 0 CDAERP CCC[N@H+](C)CCN(C)C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001496827782 973114010 /nfs/dbraw/zinc/11/40/10/973114010.db2.gz RYTKYRCBXKHKCL-HNNXBMFYSA-N 2 0 267.417 1.273 10 0 CDAERP CC(C)[N@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)C1CC1 ZINC001372905410 973191488 /nfs/dbraw/zinc/19/14/88/973191488.db2.gz MBYBXZANAMFUDH-OKILXGFUSA-N 2 0 281.444 1.848 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CCC[NH+](C(C)C)C1 ZINC001417632823 973217060 /nfs/dbraw/zinc/21/70/60/973217060.db2.gz NNQGXRRFHYCVNX-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001497187891 973237363 /nfs/dbraw/zinc/23/73/63/973237363.db2.gz GARCVBHQNVTTDO-DZGCQCFKSA-N 2 0 281.444 1.469 10 0 CDAERP C[C@@H](CC[NH2+]C/C=C\Cl)NC(=O)CC[NH+](C)C ZINC001497265343 973267326 /nfs/dbraw/zinc/26/73/26/973267326.db2.gz UOPLVKWCSRJVFL-IBHLPDHGSA-N 2 0 261.797 1.175 10 0 CDAERP CC[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CC(C)C)C1)[NH+](C)C ZINC001373292363 973349741 /nfs/dbraw/zinc/34/97/41/973349741.db2.gz UGXBKOBJKJKYBO-LSDHHAIUSA-N 2 0 283.460 1.763 10 0 CDAERP CCC[NH2+]C/C=C\CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001497586518 973422614 /nfs/dbraw/zinc/42/26/14/973422614.db2.gz WGXOYYZPSGLWDG-NQHOJNORSA-N 2 0 265.401 1.000 10 0 CDAERP CC[C@@H](C(=O)NCC1C[NH+](CCC(C)(C)C)C1)[NH+](C)C ZINC001373549083 973487888 /nfs/dbraw/zinc/48/78/88/973487888.db2.gz DUVMJRWUOOCHJR-AWEZNQCLSA-N 2 0 283.460 1.811 10 0 CDAERP COC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001418099212 973583185 /nfs/dbraw/zinc/58/31/85/973583185.db2.gz PYBUKZVITJMZNB-XQLPTFJDSA-N 2 0 297.443 1.131 10 0 CDAERP CC[C@H](C(=O)NC[C@H](CC)[NH2+]Cc1cc(C)no1)[NH+](C)C ZINC001373760767 973627502 /nfs/dbraw/zinc/62/75/02/973627502.db2.gz IQLRSCNOGMRDLT-GXTWGEPZSA-N 2 0 296.415 1.308 10 0 CDAERP CC(C)C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001498042778 973645049 /nfs/dbraw/zinc/64/50/49/973645049.db2.gz ACFCDVUZLIOXGW-GXTWGEPZSA-N 2 0 267.417 1.079 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001418233806 973684466 /nfs/dbraw/zinc/68/44/66/973684466.db2.gz AZOLYYOWUZDZOM-BYNSBNAKSA-N 2 0 281.444 1.563 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@H](CC[NH2+]C(C)C)C1)[NH+](C)C ZINC001373911351 973685572 /nfs/dbraw/zinc/68/55/72/973685572.db2.gz NPJHGTFUGMAIKI-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[N@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001498357496 973855616 /nfs/dbraw/zinc/85/56/16/973855616.db2.gz SFPWVCUPWKFWFJ-ZDUSSCGKSA-N 2 0 269.433 1.706 10 0 CDAERP CC[C@H](C(=O)NCC[N@H+](C)CC[C@H]1CCCCO1)[NH+](C)C ZINC001418473815 973877564 /nfs/dbraw/zinc/87/75/64/973877564.db2.gz HEKBUVMWLYUTPL-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)CC1CC2(CCC2)C1 ZINC001418525933 973929910 /nfs/dbraw/zinc/92/99/10/973929910.db2.gz AUUSTNCWIDRHQO-UHFFFAOYSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@H](C[NH2+]C/C=C\Cl)C2CC2)CCC1 ZINC001498769534 974057022 /nfs/dbraw/zinc/05/70/22/974057022.db2.gz IJPGIUDKOHPPDC-VVOKDJNJSA-N 2 0 299.846 1.708 10 0 CDAERP C[C@@H](C[NH2+]CC1CCCCC1)NC(=O)C[NH+]1CCCC1 ZINC001374978111 974198113 /nfs/dbraw/zinc/19/81/13/974198113.db2.gz VGLZFNBVZINAPY-AWEZNQCLSA-N 2 0 281.444 1.757 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC ZINC001499560612 974267076 /nfs/dbraw/zinc/26/70/76/974267076.db2.gz RJNSTCYBPYGPRA-GASCZTMLSA-N 2 0 281.444 1.804 10 0 CDAERP COCC[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001499854584 974314523 /nfs/dbraw/zinc/31/45/23/974314523.db2.gz SXMYWNRULZGQHU-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP C[NH+](C)CCCC(=O)N1CCC[C@H]1C[NH2+]CCC1CC1 ZINC001499921290 974336211 /nfs/dbraw/zinc/33/62/11/974336211.db2.gz UCGCGHGQIFHLNW-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001500235172 974407386 /nfs/dbraw/zinc/40/73/86/974407386.db2.gz PYESULJXYWWCIH-UKRRQHHQSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)[NH2+][C@H]1C[C@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001375533798 974415794 /nfs/dbraw/zinc/41/57/94/974415794.db2.gz HOKOFXDUVSEZQV-KKUMJFAQSA-N 2 0 281.444 1.754 10 0 CDAERP Cc1nc[nH]c1CC(=O)NCC1([NH2+]CCC(C)(C)C)CC1 ZINC001375539896 974416862 /nfs/dbraw/zinc/41/68/62/974416862.db2.gz YZQDZPXMCJHFBP-UHFFFAOYSA-N 2 0 292.427 1.935 10 0 CDAERP CC(C)[NH2+]CC[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001501637813 974614001 /nfs/dbraw/zinc/61/40/01/974614001.db2.gz PYGGCHNKEGTTIL-LSDHHAIUSA-N 2 0 281.444 1.565 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](C/C=C/Cl)C2 ZINC001376306539 974626667 /nfs/dbraw/zinc/62/66/67/974626667.db2.gz RALDWWCQYCYCOD-XUFMCNDDSA-N 2 0 299.846 1.660 10 0 CDAERP C[C@@H](F)CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001376479749 974671906 /nfs/dbraw/zinc/67/19/06/974671906.db2.gz SKLISOIPQFGMEO-RFQIPJPRSA-N 2 0 285.407 1.313 10 0 CDAERP Cc1cc(C)cc(C[NH2+][C@@H](C)CNC(=O)CC[NH+](C)C)c1 ZINC001376811977 974779540 /nfs/dbraw/zinc/77/95/40/974779540.db2.gz OEYHHKNPRSCDOW-HNNXBMFYSA-N 2 0 291.439 1.849 10 0 CDAERP CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001377113014 974888424 /nfs/dbraw/zinc/88/84/24/974888424.db2.gz CPKGUMPYPNTZEE-OAHLLOKOSA-N 2 0 293.455 1.709 10 0 CDAERP CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001505813816 974993802 /nfs/dbraw/zinc/99/38/02/974993802.db2.gz VMMYNUNDUQQIAQ-HNNXBMFYSA-N 2 0 295.471 1.812 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001377440030 975028153 /nfs/dbraw/zinc/02/81/53/975028153.db2.gz SKTKGBZWBYDHQJ-GJZGRUSLSA-N 2 0 299.434 1.514 10 0 CDAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)CC[C@H]1CCCO1 ZINC001506056860 975103440 /nfs/dbraw/zinc/10/34/40/975103440.db2.gz PZKCHWNBOPQJDB-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CCOCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001506065845 975106960 /nfs/dbraw/zinc/10/69/60/975106960.db2.gz XHHGPASHZMMUPY-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP C[C@@H]([NH2+]Cc1nccs1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001377849003 975156014 /nfs/dbraw/zinc/15/60/14/975156014.db2.gz MDEISVURKYZNMO-MNOVXSKESA-N 2 0 284.429 1.078 10 0 CDAERP C[C@@H](CC(=O)NC[C@H](C)[N@H+](C)CCCF)n1ccnc1 ZINC001378146544 975261550 /nfs/dbraw/zinc/26/15/50/975261550.db2.gz UTVOTVIOPJLKDR-STQMWFEESA-N 2 0 284.379 1.630 10 0 CDAERP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cccnc1C ZINC001378304313 975324984 /nfs/dbraw/zinc/32/49/84/975324984.db2.gz QGUQAMNCJOKSCL-HNNXBMFYSA-N 2 0 292.427 1.326 10 0 CDAERP CCCCC[NH2+][C@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001507149898 975354962 /nfs/dbraw/zinc/35/49/62/975354962.db2.gz RZTIOZNSJYHJMG-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]Cc1ccccn1 ZINC001507154004 975355890 /nfs/dbraw/zinc/35/58/90/975355890.db2.gz LRUDHTHZLKLVSX-AWEZNQCLSA-N 2 0 290.411 1.114 10 0 CDAERP CN(C[C@H]1CC[N@@H+]1CCC1CC1)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001397038025 975443574 /nfs/dbraw/zinc/44/35/74/975443574.db2.gz DTOYIFAKLOJFAD-HZPDHXFCSA-N 2 0 293.455 1.661 10 0 CDAERP CC(C)(C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC2)C1)[NH+]1CCCC1 ZINC001397085808 975457900 /nfs/dbraw/zinc/45/79/00/975457900.db2.gz QDMJDXTYAQCRJJ-GASCZTMLSA-N 2 0 293.455 1.755 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001397126955 975472005 /nfs/dbraw/zinc/47/20/05/975472005.db2.gz DOVCZOORZYYRIH-QEJZJMRPSA-N 2 0 299.434 1.561 10 0 CDAERP CC[C@H](C)C[N@@H+]1CCCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001378795689 975492162 /nfs/dbraw/zinc/49/21/62/975492162.db2.gz FZWBUTVKXLIKAT-HNNXBMFYSA-N 2 0 295.471 1.909 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](O)C[NH+](C)C(C)C ZINC001507639636 975515791 /nfs/dbraw/zinc/51/57/91/975515791.db2.gz KWZIFBLYYBZMNL-LSDHHAIUSA-N 2 0 299.459 1.020 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)C1CC[NH+](CCC)CC1 ZINC001508067168 975598443 /nfs/dbraw/zinc/59/84/43/975598443.db2.gz VZRCLPFNIPJLFP-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001379159672 975697664 /nfs/dbraw/zinc/69/76/64/975697664.db2.gz AJRMYRKUDKPBOO-HUUCEWRRSA-N 2 0 281.444 1.613 10 0 CDAERP Cc1ncoc1C[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001405887612 975921930 /nfs/dbraw/zinc/92/19/30/975921930.db2.gz KGGWJWHJZBODQO-GFCCVEGCSA-N 2 0 294.399 1.015 10 0 CDAERP C[C@@H](C[NH2+]CC1CC2(CCC2)C1)NC(=O)C[NH+]1CCCC1 ZINC001379602224 975944924 /nfs/dbraw/zinc/94/49/24/975944924.db2.gz YCNPYFQWVMLANW-AWEZNQCLSA-N 2 0 293.455 1.757 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001398328411 975947185 /nfs/dbraw/zinc/94/71/85/975947185.db2.gz NEDJLFNQBCHURY-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH+](C)CCF)C2)CC[N@@H+]1C ZINC001398457654 975995788 /nfs/dbraw/zinc/99/57/88/975995788.db2.gz RYFCLILOZRJRKB-RBSFLKMASA-N 2 0 299.434 1.467 10 0 CDAERP O=C(N[C@H]1C[C@@H]([NH2+]C/C=C/Cl)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001398620557 976078353 /nfs/dbraw/zinc/07/83/53/976078353.db2.gz MGLNQQZBTWTSIZ-INABPUTPSA-N 2 0 297.830 1.318 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001398625686 976080817 /nfs/dbraw/zinc/08/08/17/976080817.db2.gz YTXQGMROBOWRQF-UVPYHEFZSA-N 2 0 295.471 2.000 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(C)C)C1)[NH+](CC)CC ZINC001398632441 976082689 /nfs/dbraw/zinc/08/26/89/976082689.db2.gz ZUHHXUOKPSUJPD-QLFBSQMISA-N 2 0 283.460 2.000 10 0 CDAERP CCC[NH2+][C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001402314356 976233675 /nfs/dbraw/zinc/23/36/75/976233675.db2.gz MKDJSFAMUFRIGI-CABCVRRESA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001402403452 976268879 /nfs/dbraw/zinc/26/88/79/976268879.db2.gz CXZXVGFECMBOLJ-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](C[N@H+](C)CC1CCCC1)NC(=O)[C@H]1CCC[NH+]1C ZINC001406588129 976279741 /nfs/dbraw/zinc/27/97/41/976279741.db2.gz TUMDJRFNXUFUMZ-DZGCQCFKSA-N 2 0 281.444 1.707 10 0 CDAERP CO[C@H](C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C ZINC001402487523 976306086 /nfs/dbraw/zinc/30/60/86/976306086.db2.gz PPEXJQBQWXNTRP-RBSFLKMASA-N 2 0 297.443 1.038 10 0 CDAERP CC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1cncs1)[NH+](C)C ZINC001399107090 976346458 /nfs/dbraw/zinc/34/64/58/976346458.db2.gz IWYXTKJYTDVGNR-JQWIXIFHSA-N 2 0 284.429 1.078 10 0 CDAERP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cncs1 ZINC001399128919 976354441 /nfs/dbraw/zinc/35/44/41/976354441.db2.gz XEJWLNOMKJPBPL-RYUDHWBXSA-N 2 0 296.440 1.079 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001390596086 976382978 /nfs/dbraw/zinc/38/29/78/976382978.db2.gz KATHEHHYSJJJSQ-CABCVRRESA-N 2 0 283.460 1.812 10 0 CDAERP Cc1ncoc1C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001390645163 976412672 /nfs/dbraw/zinc/41/26/72/976412672.db2.gz GZTBOWDMJHUKQF-YPMHNXCESA-N 2 0 294.399 1.062 10 0 CDAERP CC[C@@H](C[N@@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C)C1)OC ZINC001402660822 976433700 /nfs/dbraw/zinc/43/37/00/976433700.db2.gz INGQDJBFHZDHFZ-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]CC1CC(C)C1 ZINC001390717803 976451415 /nfs/dbraw/zinc/45/14/15/976451415.db2.gz HHLJHDMVWWNXMB-SHARSMKWSA-N 2 0 281.444 1.613 10 0 CDAERP Cc1nc(C[NH2+][C@H](C)CCNC(=O)C[N@H+](C)C(C)C)co1 ZINC001390737462 976472190 /nfs/dbraw/zinc/47/21/90/976472190.db2.gz VXRCTJSLDJCQKW-GFCCVEGCSA-N 2 0 296.415 1.308 10 0 CDAERP C[C@H](CCNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccon1 ZINC001399411522 976473263 /nfs/dbraw/zinc/47/32/63/976473263.db2.gz DTXYTFIEFOQSNZ-CHWSQXEVSA-N 2 0 294.399 1.001 10 0 CDAERP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]C/C=C\Cl ZINC001402783240 976480529 /nfs/dbraw/zinc/48/05/29/976480529.db2.gz JUXGVCUEOWKMNR-CIUCYMIDSA-N 2 0 285.819 1.271 10 0 CDAERP CCC(CC)C[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001406991632 976506492 /nfs/dbraw/zinc/50/64/92/976506492.db2.gz VCIFZUHBJRQQQC-UHFFFAOYSA-N 2 0 293.455 1.757 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@]1(C)CC[NH+](CCC(C)C)C1 ZINC001407195848 976600860 /nfs/dbraw/zinc/60/08/60/976600860.db2.gz DXYRTXYBBUNSJL-INIZCTEOSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)CC[NH2+][C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001381101206 976672965 /nfs/dbraw/zinc/67/29/65/976672965.db2.gz INAFQMKKWHFCAG-GJZGRUSLSA-N 2 0 295.471 1.811 10 0 CDAERP C[NH+](C)CC1(C(=O)N2CCC(C)([NH2+]CCF)CC2)CC1 ZINC001381130275 976685322 /nfs/dbraw/zinc/68/53/22/976685322.db2.gz YSJMBDITDLZXCT-UHFFFAOYSA-N 2 0 285.407 1.268 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC1CC1 ZINC001407682159 976733511 /nfs/dbraw/zinc/73/35/11/976733511.db2.gz ZMFVIHOUWOMOOO-JKSUJKDBSA-N 2 0 293.455 1.804 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001399921205 976746623 /nfs/dbraw/zinc/74/66/23/976746623.db2.gz YQBQSASKYYLUHA-ZIAGYGMSSA-N 2 0 299.434 1.657 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001399921203 976746716 /nfs/dbraw/zinc/74/67/16/976746716.db2.gz YQBQSASKYYLUHA-UONOGXRCSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)CC[N@@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001391387088 976854905 /nfs/dbraw/zinc/85/49/05/976854905.db2.gz IXYBGGUMZZKNSK-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC(C)([NH2+]CC2CC2)CC1 ZINC001408101711 976915659 /nfs/dbraw/zinc/91/56/59/976915659.db2.gz ZZJVAVQZYWFEPK-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)CCc2c[nH]cn2)C1 ZINC001403413570 976939788 /nfs/dbraw/zinc/93/97/88/976939788.db2.gz IMXTVBOBHMPUDI-OBJOEFQTSA-N 2 0 296.390 1.575 10 0 CDAERP CCCC[N@H+](C)C[C@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001400231553 976943591 /nfs/dbraw/zinc/94/35/91/976943591.db2.gz SHQJNKPJWLGSIH-JKSUJKDBSA-N 2 0 295.471 1.909 10 0 CDAERP CC(C)[NH2+][C@@H](CCN(C)C(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001381714425 976987955 /nfs/dbraw/zinc/98/79/55/976987955.db2.gz HJSJAPYWHQGCGJ-HNNXBMFYSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001403732817 977167124 /nfs/dbraw/zinc/16/71/24/977167124.db2.gz FTBCZNHFFWEONJ-CABCVRRESA-N 2 0 295.471 1.953 10 0 CDAERP CCC(CC)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001382161237 977195728 /nfs/dbraw/zinc/19/57/28/977195728.db2.gz KSWJSAPKOMMQCR-HIFRSBDPSA-N 2 0 283.460 1.811 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]C[C@@H](C)OC)C(C)(C)C1 ZINC001382374354 977265977 /nfs/dbraw/zinc/26/59/77/977265977.db2.gz BXBRYOUWAOXAPK-KGLIPLIRSA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@H](C)C[N@H+](CC)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001403928050 977266644 /nfs/dbraw/zinc/26/66/44/977266644.db2.gz XIHIVJSBSRETST-AWEZNQCLSA-N 2 0 281.444 1.566 10 0 CDAERP C[C@H](NC(=O)CC[NH+](C)C)C1CC[NH+](CCC2CC2)CC1 ZINC001403982869 977292742 /nfs/dbraw/zinc/29/27/42/977292742.db2.gz FIPIQTUWRMZZGM-AWEZNQCLSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCC(C)C)[NH+](C)C ZINC001404025302 977310827 /nfs/dbraw/zinc/31/08/27/977310827.db2.gz QRBPLFLFEDTIJN-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001392518816 977470180 /nfs/dbraw/zinc/47/01/80/977470180.db2.gz AMOACKAYMNIOBA-ZIAGYGMSSA-N 2 0 287.423 1.561 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1scnc1C)[NH+](C)C ZINC001392522962 977471728 /nfs/dbraw/zinc/47/17/28/977471728.db2.gz FASLFBGQULTLPD-ZYHUDNBSSA-N 2 0 298.456 1.386 10 0 CDAERP COC[C@@H](C)[NH+]1CCC(C)(CNC(=O)CC[NH+](C)C)CC1 ZINC001393181273 977722555 /nfs/dbraw/zinc/72/25/55/977722555.db2.gz RXLWEGUORJZPCE-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@@H]([NH2+]CC1CCCC1)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001393388556 977776323 /nfs/dbraw/zinc/77/63/23/977776323.db2.gz PPWXQRFVCPWFOO-GDBMZVCRSA-N 2 0 295.471 1.955 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC ZINC001393467012 977794812 /nfs/dbraw/zinc/79/48/12/977794812.db2.gz WWTTZKJIPKUQRQ-SOUVJXGZSA-N 2 0 299.434 1.752 10 0 CDAERP CC[C@@H](F)C[NH+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001393497010 977805023 /nfs/dbraw/zinc/80/50/23/977805023.db2.gz PAFAZNREIHHPJE-CQSZACIVSA-N 2 0 299.434 1.611 10 0 CDAERP CO[C@@H](C)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001393744573 977905457 /nfs/dbraw/zinc/90/54/57/977905457.db2.gz OLNKKCZSYLFOTN-UONOGXRCSA-N 2 0 297.443 1.086 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccn2)C1 ZINC001394371476 978144186 /nfs/dbraw/zinc/14/41/86/978144186.db2.gz WKDZGVNAEOGXDI-CTYIDZIISA-N 2 0 290.411 1.018 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC(C)C ZINC001394494041 978181736 /nfs/dbraw/zinc/18/17/36/978181736.db2.gz AWJFJRTUPASETL-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001674142331 1173916658 /nfs/dbraw/zinc/91/66/58/1173916658.db2.gz QSJQZDUVUXLWHI-ZIAGYGMSSA-N 2 0 269.433 1.563 10 0 CDAERP CCC[N@H+](C)C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001676082462 1174179812 /nfs/dbraw/zinc/17/98/12/1174179812.db2.gz NICHKQQQNDHQLX-UHFFFAOYSA-N 2 0 269.433 1.659 10 0 CDAERP CCCC[NH2+][C@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1(C)C ZINC001677023812 1174309256 /nfs/dbraw/zinc/30/92/56/1174309256.db2.gz PMTTUHFTWNESPE-CABCVRRESA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)CCCCC(=O)N[C@]12CCC[C@@H]1[N@H+](CCF)CC2 ZINC001571504374 1170456695 /nfs/dbraw/zinc/45/66/95/1170456695.db2.gz CWJLCLHCMOWZGZ-HOCLYGCPSA-N 2 0 299.434 1.801 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]CCCF)C1 ZINC001571665983 1170515518 /nfs/dbraw/zinc/51/55/18/1170515518.db2.gz RPJDENHBAMQCAY-YMAMQOFZSA-N 2 0 299.434 1.799 10 0 CDAERP C[C@H](CNC(=O)N[C@H]1CCC[N@H+](C)C1)[NH+]1CCC[C@@H](C)C1 ZINC000618554877 349481788 /nfs/dbraw/zinc/48/17/88/349481788.db2.gz KGXHSQBWYXTGEO-KFWWJZLASA-N 2 0 296.459 1.500 10 0 CDAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCC2(C[NH3+])CC2)[C@H](C)C1 ZINC000650743927 398172576 /nfs/dbraw/zinc/17/25/76/398172576.db2.gz BOCDEEKHNATFBW-HZPDHXFCSA-N 3 0 297.487 1.842 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CCCc2c1ccc(=O)n2C ZINC000650764588 398184302 /nfs/dbraw/zinc/18/43/02/398184302.db2.gz DWZMZFLZEHSLJI-LOWVWBTDSA-N 2 0 263.385 1.478 10 0 CDAERP [NH3+]Cc1cccc(S(=O)(=O)c2cccc(C[NH3+])c2)c1 ZINC000095932151 185032914 /nfs/dbraw/zinc/03/29/14/185032914.db2.gz YHHGNEUBAOJRLI-UHFFFAOYSA-N 2 0 276.361 1.437 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+]Cc1cnccc1C ZINC000354637337 365596483 /nfs/dbraw/zinc/59/64/83/365596483.db2.gz UFCOQSFHPPQMSA-UHFFFAOYSA-N 2 0 265.401 1.838 10 0 CDAERP Cc1nc2[nH]ccc2c(N2CC(n3ccnc3)C2)n1 ZINC000531578139 361755599 /nfs/dbraw/zinc/75/55/99/361755599.db2.gz HCDGQMWUJPKBJT-UHFFFAOYSA-N 2 0 254.297 1.524 10 0 CDAERP CCO[C@@H](C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1)C1CC1 ZINC000625252749 342050971 /nfs/dbraw/zinc/05/09/71/342050971.db2.gz JKUOFXZMEDLEMW-IRXDYDNUSA-N 2 0 295.471 1.513 10 0 CDAERP C[C@H]1C[C@H](N(C)CC(=O)NCC(C)(C)C)CC[N@@H+]1C ZINC000625213680 342041762 /nfs/dbraw/zinc/04/17/62/342041762.db2.gz NZRSPJSTLIMOBS-QWHCGFSZSA-N 2 0 269.433 1.563 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCOC2CCOCC2)[C@H](C)C1 ZINC000625257169 342057891 /nfs/dbraw/zinc/05/78/91/342057891.db2.gz XJUBBLFWIQBTSP-GDBMZVCRSA-N 2 0 284.444 1.844 10 0 CDAERP CC(C)[C@H](C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)[NH+](C)C ZINC000617011305 342606597 /nfs/dbraw/zinc/60/65/97/342606597.db2.gz BOXJXXPJVZICIB-QWHCGFSZSA-N 2 0 269.433 1.562 10 0 CDAERP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000618984753 349571303 /nfs/dbraw/zinc/57/13/03/349571303.db2.gz YQXYQYHIEQKIEB-HUUCEWRRSA-N 2 0 281.444 1.565 10 0 CDAERP CN(CC1C[NH+](C)C1)C(=O)CC[N@H+](C)C1CCCCC1 ZINC000618191657 342136073 /nfs/dbraw/zinc/13/60/73/342136073.db2.gz NCEZWYDJVOAFTM-UHFFFAOYSA-N 2 0 281.444 1.661 10 0 CDAERP CSC1(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)CC1 ZINC000592529429 342703763 /nfs/dbraw/zinc/70/37/63/342703763.db2.gz ZBWYVBQCUGGCHA-UHFFFAOYSA-N 2 0 270.442 1.679 10 0 CDAERP CN1CC[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC000096949968 185138707 /nfs/dbraw/zinc/13/87/07/185138707.db2.gz STGKCBDJDXBZSQ-UHFFFAOYSA-N 2 0 259.397 1.556 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NCc1cn(-c2cc[nH+]cc2)nc1C ZINC000629387486 361900268 /nfs/dbraw/zinc/90/02/68/361900268.db2.gz CGSRROHZVSQZNA-JKSUJKDBSA-N 2 0 285.395 1.806 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000629391958 361907977 /nfs/dbraw/zinc/90/79/77/361907977.db2.gz FYINXWGRMBWHDP-RDJZCZTQSA-N 2 0 291.439 1.648 10 0 CDAERP COC(=O)[C@H](CC(C)C)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366497633 361914258 /nfs/dbraw/zinc/91/42/58/361914258.db2.gz NWBQJBGCMTZIOX-ZFWWWQNUSA-N 2 0 268.401 1.602 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC1CC[NH+](Cc2ccccn2)CC1 ZINC000629390789 361916578 /nfs/dbraw/zinc/91/65/78/361916578.db2.gz YJHKXXZEVMOJHX-DLBZAZTESA-N 2 0 288.439 1.776 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)CC(=O)N(C)c1ccccc1 ZINC000629391586 361917221 /nfs/dbraw/zinc/91/72/21/361917221.db2.gz BBMJFWBDTGSHCS-AWEZNQCLSA-N 2 0 293.411 1.254 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000422749223 536596451 /nfs/dbraw/zinc/59/64/51/536596451.db2.gz YCSMUKWLQYGBRI-OAHLLOKOSA-N 3 0 297.418 1.731 10 0 CDAERP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000629400329 361938113 /nfs/dbraw/zinc/93/81/13/361938113.db2.gz UGDKURXVBPBLOU-WBVHZDCISA-N 2 0 291.439 1.462 10 0 CDAERP CCOC(=O)C1([C@H](C)N[C@@H]2CC[C@H](C)[NH2+]C2)CC[NH2+]CC1 ZINC000600710034 342243560 /nfs/dbraw/zinc/24/35/60/342243560.db2.gz NEUJIPYTLDKLML-MELADBBJSA-N 2 0 297.443 1.038 10 0 CDAERP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H]2C[C@@H](OC)C2)CC[NH2+]CC1 ZINC000600713387 342244026 /nfs/dbraw/zinc/24/40/26/342244026.db2.gz IIBWHOGDJBEJPI-MCIONIFRSA-N 2 0 298.427 1.322 10 0 CDAERP COC(=O)c1cnc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)s1 ZINC000594512941 342912822 /nfs/dbraw/zinc/91/28/22/342912822.db2.gz YUSKLUKEKKIYIG-GARJFASQSA-N 2 0 297.424 1.921 10 0 CDAERP COCC[C@@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000353340083 539097463 /nfs/dbraw/zinc/09/74/63/539097463.db2.gz RMWZOWPLSPPLPP-VPSFDDGASA-N 2 0 295.471 1.654 10 0 CDAERP CCN1CCO[C@@H](C[NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000165258316 539126168 /nfs/dbraw/zinc/12/61/68/539126168.db2.gz XKTFXAPJJTWELU-ZFWWWQNUSA-N 2 0 269.433 1.027 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H]1[C@@H](C)O[C@@H](C)[C@@H]1C ZINC000625976266 342284286 /nfs/dbraw/zinc/28/42/86/342284286.db2.gz YKIVBDSGBPONIH-ODXJTPSBSA-N 2 0 258.406 1.089 10 0 CDAERP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000594936796 342977438 /nfs/dbraw/zinc/97/74/38/342977438.db2.gz DQIMYCJXUDGQRY-MELADBBJSA-N 2 0 282.428 1.896 10 0 CDAERP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000594926794 342973540 /nfs/dbraw/zinc/97/35/40/342973540.db2.gz YQLYUQDDQCMEGT-RWMBFGLXSA-N 2 0 254.374 1.260 10 0 CDAERP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)[C@H]2C[C@@H]2C(=O)OC)C1 ZINC000594924936 342989117 /nfs/dbraw/zinc/98/91/17/342989117.db2.gz KUNRSVZRTJIJRW-SYQHCUMBSA-N 2 0 268.401 1.506 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CC2CCOCC2)CC1 ZINC000171829230 362073032 /nfs/dbraw/zinc/07/30/32/362073032.db2.gz CONXNJUFUXIZDC-KRWDZBQOSA-N 2 0 295.471 1.515 10 0 CDAERP COC(=O)CC[N@H+](CC(C)C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000595892601 343182080 /nfs/dbraw/zinc/18/20/80/343182080.db2.gz NJLBSMMIDQFCGS-CYBMUJFWSA-N 2 0 284.400 1.029 10 0 CDAERP CCCC[NH+]1CCC(N[C@H]2C[NH2+]C[C@@H](C)C2)CC1 ZINC000401717148 412501238 /nfs/dbraw/zinc/50/12/38/412501238.db2.gz YQQRCUDFUNCPKN-DZGCQCFKSA-N 2 0 253.434 1.839 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645107084 362121061 /nfs/dbraw/zinc/12/10/61/362121061.db2.gz LRULQWUQJOXSGO-QPSCCSFWSA-N 2 0 279.428 1.365 10 0 CDAERP CCC[NH2+][C@H](C)C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645104526 362118927 /nfs/dbraw/zinc/11/89/27/362118927.db2.gz OAGLGNXCSLBJLS-RDBSUJKOSA-N 2 0 267.417 1.365 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H]1C[C@H](OCC(C)C)C1(C)C ZINC000629529568 362157525 /nfs/dbraw/zinc/15/75/25/362157525.db2.gz HGJNTAIJNNDAQV-KGLIPLIRSA-N 2 0 272.433 1.652 10 0 CDAERP CN(C)CC[NH+]1CCC(C[NH3+])(Cc2ccccc2)CC1 ZINC000219254604 342447981 /nfs/dbraw/zinc/44/79/81/342447981.db2.gz XQIATLPHERWJRJ-UHFFFAOYSA-N 2 0 275.440 1.832 10 0 CDAERP CCC(O)(CC)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000225797358 282311913 /nfs/dbraw/zinc/31/19/13/282311913.db2.gz XYVUKTPVSLQYFR-UONOGXRCSA-N 2 0 254.418 1.954 10 0 CDAERP O=C([C@H]1C[NH2+]Cc2ccccc21)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000250526504 344046100 /nfs/dbraw/zinc/04/61/00/344046100.db2.gz HMZLXJCKTRQYKG-HOCLYGCPSA-N 2 0 285.391 1.180 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C1(C[NH3+])CCCC1 ZINC000251926775 344060539 /nfs/dbraw/zinc/06/05/39/344060539.db2.gz YKAISKHMIMOWRB-KGLIPLIRSA-N 2 0 279.428 1.591 10 0 CDAERP COCCN1CCC[C@H]1C[NH2+][C@H](COC)C1CCCC1 ZINC000446837406 362383181 /nfs/dbraw/zinc/38/31/81/362383181.db2.gz ZSHPPRJYGPBKGK-JKSUJKDBSA-N 2 0 284.444 1.892 10 0 CDAERP [NH3+]C1(CC(=O)NCCC[NH+]2CCCCC2)CCCC1 ZINC000084163817 178810762 /nfs/dbraw/zinc/81/07/62/178810762.db2.gz WBVBELWWAQJRHX-UHFFFAOYSA-N 2 0 267.417 1.640 10 0 CDAERP Cc1cn2c(n1)C[C@@H](C(=O)N1CC[N@@H+](C)CC1(C)C)CC2 ZINC000626320932 345254702 /nfs/dbraw/zinc/25/47/02/345254702.db2.gz NDQYRYZZWCPEOX-ZDUSSCGKSA-N 2 0 290.411 1.307 10 0 CDAERP C[N@H+](CCCNC(=O)[C@@]1(C)CCC[NH2+]1)C1CCCCC1 ZINC000079518527 362661161 /nfs/dbraw/zinc/66/11/61/362661161.db2.gz TWEUMPZQDXQIMS-MRXNPFEDSA-N 2 0 281.444 1.899 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@@H]2Cc3cncn3C2)CCCCC1 ZINC000623261889 345871543 /nfs/dbraw/zinc/87/15/43/345871543.db2.gz GEUWOCOLHMQQFG-CYBMUJFWSA-N 2 0 290.411 1.436 10 0 CDAERP CC(C)[C@@H]1C[C@H]1C(=O)NCCN(C)CCC[NH+](C)C ZINC000617764763 345960535 /nfs/dbraw/zinc/96/05/35/345960535.db2.gz FKMRPSYUKOPBCD-UONOGXRCSA-N 2 0 269.433 1.278 10 0 CDAERP C[C@@H](C[C@](C)(O)C[NH3+])N1CC[NH+](C2CCCC2)CC1 ZINC000085302329 179011003 /nfs/dbraw/zinc/01/10/03/179011003.db2.gz LQFNEHOJCMLHBU-ZFWWWQNUSA-N 2 0 269.433 1.035 10 0 CDAERP C[C@@](O)(C[NH3+])CCCCN1CC[C@H]([NH+]2CCCC2)C1 ZINC000085302835 179011413 /nfs/dbraw/zinc/01/14/13/179011413.db2.gz GUXLKZQLYHFTPJ-GJZGRUSLSA-N 2 0 269.433 1.037 10 0 CDAERP C[NH+](C)Cc1ccccc1NC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000085359260 179031896 /nfs/dbraw/zinc/03/18/96/179031896.db2.gz LMVFZSDBLFZZNP-QWHCGFSZSA-N 2 0 261.369 1.814 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000085363906 179035408 /nfs/dbraw/zinc/03/54/08/179035408.db2.gz PMANLVYDVDINBP-CHWSQXEVSA-N 2 0 253.390 1.103 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000085369458 179039238 /nfs/dbraw/zinc/03/92/38/179039238.db2.gz YBHIXYVZEDPHIJ-HUUCEWRRSA-N 2 0 279.428 1.448 10 0 CDAERP CCC(CC)[C@@H](CNC(=O)[C@H]1CCC[C@@H]1[NH3+])[NH+](C)C ZINC000085371148 179041158 /nfs/dbraw/zinc/04/11/58/179041158.db2.gz MKBFBFBHCTXDQJ-MELADBBJSA-N 2 0 269.433 1.596 10 0 CDAERP O=C(C[N@@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1)N1CCCC1 ZINC000085403786 179052954 /nfs/dbraw/zinc/05/29/54/179052954.db2.gz CYSVVXSCOQVAPC-MRXNPFEDSA-N 2 0 293.455 1.853 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CC2(C(N)=O)CCCC2)CC1(C)C ZINC000623421306 346418621 /nfs/dbraw/zinc/41/86/21/346418621.db2.gz GFFYHHAKCHVKJX-GFCCVEGCSA-N 2 0 267.417 1.495 10 0 CDAERP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C)(C2CC2)CC1 ZINC000584787990 346434491 /nfs/dbraw/zinc/43/44/91/346434491.db2.gz IIRWVZGMYPSSIN-CQSZACIVSA-N 2 0 254.418 1.811 10 0 CDAERP CCCc1nc2c(n1[C@H]1CCC[N@H+](C)C1)CC[NH2+]C2 ZINC000085572154 179097215 /nfs/dbraw/zinc/09/72/15/179097215.db2.gz YWRZYLWNJHQYBO-LBPRGKRZSA-N 2 0 262.401 1.748 10 0 CDAERP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000263308195 362763806 /nfs/dbraw/zinc/76/38/06/362763806.db2.gz YFMFMKHFSVLFPA-RISCZKNCSA-N 2 0 291.782 1.558 10 0 CDAERP CC(C)c1nc2c(n1C[C@@H](C)[NH+](C)C)CC[NH2+]C2 ZINC000085573141 179098319 /nfs/dbraw/zinc/09/83/19/179098319.db2.gz ROIOHSHNZFZJGB-LLVKDONJSA-N 2 0 250.390 1.602 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3c[nH]nc3C2)CC1(C)C ZINC000623446627 346761699 /nfs/dbraw/zinc/76/16/99/346761699.db2.gz LFTVOJALZBSVMC-OLZOCXBDSA-N 2 0 262.401 1.729 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612992711 347358459 /nfs/dbraw/zinc/35/84/59/347358459.db2.gz JLFVENLMSHVIRR-CQSZACIVSA-N 2 0 296.459 1.406 10 0 CDAERP CC[NH+]1CCC(CN2CC[NH2+][C@@H](C3CC3)C2)CC1 ZINC000086145737 179238550 /nfs/dbraw/zinc/23/85/50/179238550.db2.gz RCGVREYJEBMKNN-OAHLLOKOSA-N 2 0 251.418 1.402 10 0 CDAERP CC[C@@H](C)[C@@H]1CN(C[C@@H]2CCCC[N@@H+]2C)CC[NH2+]1 ZINC000086145809 179238631 /nfs/dbraw/zinc/23/86/31/179238631.db2.gz VVIUTLUWCLVLDA-ILXRZTDVSA-N 2 0 253.434 1.791 10 0 CDAERP CC[N@@H+]1CC[C@@H](CN2CC[NH2+]C(CC)(CC)C2)C1 ZINC000086141851 179236305 /nfs/dbraw/zinc/23/63/05/179236305.db2.gz WRLKWPQVLJIKKE-CQSZACIVSA-N 2 0 253.434 1.792 10 0 CDAERP CC[C@H](C)[C@@H]1CN(C[C@@H]2CC[N@H+](CC)C2)CC[NH2+]1 ZINC000086141827 179236627 /nfs/dbraw/zinc/23/66/27/179236627.db2.gz UXMDIGGGJNMBDS-ZNMIVQPWSA-N 2 0 253.434 1.648 10 0 CDAERP CC[C@H]1C[NH2+][C@@H](C2CC2)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086182609 179247647 /nfs/dbraw/zinc/24/76/47/179247647.db2.gz DFRGWNPWKWLUKW-ARFHVFGLSA-N 2 0 263.429 1.543 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCn2ccnn2)CC1(C)C ZINC000623490696 347602119 /nfs/dbraw/zinc/60/21/19/347602119.db2.gz SXERSMBOCMUSAZ-LBPRGKRZSA-N 2 0 251.378 1.131 10 0 CDAERP C[C@H](Cc1c[nH]cn1)C(=O)N1CC[C@H](N2CCC2)[C@H](F)C1 ZINC000614102964 348002328 /nfs/dbraw/zinc/00/23/28/348002328.db2.gz JWKPPVJLHTYINZ-BNOWGMLFSA-N 2 0 294.374 1.233 10 0 CDAERP C[C@@H](C(=O)N(C)CC1C[NH+](C)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000618194821 349397455 /nfs/dbraw/zinc/39/74/55/349397455.db2.gz KEQRIRLQPKNYRH-UPJWGTAASA-N 2 0 267.417 1.268 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)C[NH+](CC)C1CC1 ZINC000620623143 350292500 /nfs/dbraw/zinc/29/25/00/350292500.db2.gz JUEKXZASUABJOE-UHFFFAOYSA-N 2 0 269.433 1.707 10 0 CDAERP CC[C@@H]1CN(C(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)C[C@H](C)[NH2+]1 ZINC000620904484 350374549 /nfs/dbraw/zinc/37/45/49/350374549.db2.gz OBIKGMWJFPCPIJ-VQJWOFKYSA-N 2 0 281.444 1.847 10 0 CDAERP CC(C)[C@@H](C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)[NH+](C)C ZINC000620968174 350389010 /nfs/dbraw/zinc/38/90/10/350389010.db2.gz ZOEBGOBJSCGBCE-GJZGRUSLSA-N 2 0 299.459 1.142 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000111243984 482646640 /nfs/dbraw/zinc/64/66/40/482646640.db2.gz MQPZQNQXTKBDTP-GFCCVEGCSA-N 2 0 293.333 1.081 10 0 CDAERP C[C@@H]1CCC[N@H+](CCOC2CCOCC2)[C@H]1CC[NH3+] ZINC000629534690 362959903 /nfs/dbraw/zinc/95/99/03/362959903.db2.gz ASJQJGIHUKQWRD-HIFRSBDPSA-N 2 0 270.417 1.631 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc2oc(=O)n(C)c2c1 ZINC000629545816 362970878 /nfs/dbraw/zinc/97/08/78/362970878.db2.gz CQHTYVDQFHZTIH-NSHDSACASA-N 2 0 277.368 1.739 10 0 CDAERP CC(C)(C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1cnc[nH]1 ZINC000621675591 350709697 /nfs/dbraw/zinc/70/96/97/350709697.db2.gz DUCJUXPMBSXBLC-CYBMUJFWSA-N 2 0 290.411 1.774 10 0 CDAERP CN(C(=O)CC[C@H]1CCC[NH2+]C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000621645899 350689176 /nfs/dbraw/zinc/68/91/76/350689176.db2.gz NNPFCGZQLVTJHG-UKRRQHHQSA-N 2 0 279.428 1.461 10 0 CDAERP C[C@@H](CCNC(=O)CC[C@@H]1CCCC[N@@H+]1C)[NH+](C)C ZINC000622143651 351034285 /nfs/dbraw/zinc/03/42/85/351034285.db2.gz DHLSHHVBDLGHSY-KBPBESRZSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)(C[NH2+]C[C@H](O)C[NH+]1CCCC1)[C@H]1CCCCO1 ZINC000629567607 363017828 /nfs/dbraw/zinc/01/78/28/363017828.db2.gz PQANWGZGRLRPRT-LSDHHAIUSA-N 2 0 284.444 1.628 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)[C@H]1CCc2ccc(F)cc21 ZINC000629571740 363026871 /nfs/dbraw/zinc/02/68/71/363026871.db2.gz PXIGSCXSVWRGJE-HNNXBMFYSA-N 2 0 266.360 1.981 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)[C@@H]1CCN(C2CCCCC2)C1=O ZINC000629572368 363027052 /nfs/dbraw/zinc/02/70/52/363027052.db2.gz RDDXPXDBOKZIRQ-OAHLLOKOSA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@H](Cn1cncn1)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624123214 351429359 /nfs/dbraw/zinc/42/93/59/351429359.db2.gz IDJZENHFAXREEX-UONOGXRCSA-N 2 0 265.405 1.378 10 0 CDAERP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)CCO1 ZINC000629576349 363034205 /nfs/dbraw/zinc/03/42/05/363034205.db2.gz TYOXNBKKYUOUDI-ZNMIVQPWSA-N 2 0 284.444 1.626 10 0 CDAERP C[C@H](C[NH2+][C@@H](C)[C@@H]1CC1(C)C)N1CC[NH+](C)CC1 ZINC000487304647 366036800 /nfs/dbraw/zinc/03/68/00/366036800.db2.gz DKWIAZHAKNFQDV-RDBSUJKOSA-N 2 0 253.434 1.647 10 0 CDAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CCC[NH+]1C ZINC000124266594 187129596 /nfs/dbraw/zinc/12/95/96/187129596.db2.gz XXFUSONIWZNWJG-HOCLYGCPSA-N 2 0 289.423 1.717 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NC/C=C/C[NH3+])C1 ZINC000669310816 482686641 /nfs/dbraw/zinc/68/66/41/482686641.db2.gz ZYRIWEBZGRJDPQ-ISANGGDFSA-N 2 0 282.432 1.169 10 0 CDAERP O=C(NCCC[C@H]1CCC[NH2+]1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000641988299 366092350 /nfs/dbraw/zinc/09/23/50/366092350.db2.gz PTMPKFIFEURJNA-ZBFHGGJFSA-N 2 0 294.443 1.304 10 0 CDAERP CCC1CCC([N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000063178616 363324287 /nfs/dbraw/zinc/32/42/87/363324287.db2.gz KRCHQJFRMZZCRK-SHARSMKWSA-N 2 0 281.444 1.742 10 0 CDAERP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)COC(C)C)C1 ZINC000644529919 366149234 /nfs/dbraw/zinc/14/92/34/366149234.db2.gz KPKWISBYCMEYLR-KBPBESRZSA-N 2 0 258.406 1.094 10 0 CDAERP C[N@@H+]1CC[C@@]2(CC[NH+](CCCOCC(F)(F)F)C2)C1 ZINC000367845415 283106569 /nfs/dbraw/zinc/10/65/69/283106569.db2.gz DUVRPQIEHAQDHA-GFCCVEGCSA-N 2 0 280.334 1.983 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2(CO)CCC2)[C@H]2CCC[C@H]21 ZINC000375898715 283133831 /nfs/dbraw/zinc/13/38/31/283133831.db2.gz WNZGRYKXZBFIGF-HZSPNIEDSA-N 2 0 252.402 1.611 10 0 CDAERP C[N@@H+]1CC[C@H](NCC[NH+]2CCCC2)[C@H]2CCC[C@@H]21 ZINC000353435570 283135630 /nfs/dbraw/zinc/13/56/30/283135630.db2.gz MKTYZWRDNXKFLP-ILXRZTDVSA-N 2 0 251.418 1.545 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000036999060 356303473 /nfs/dbraw/zinc/30/34/73/356303473.db2.gz WXKOUTHLMGTZHZ-UGUYLWEFSA-N 2 0 293.455 1.898 10 0 CDAERP CCC[N@H+](CC)CCN[C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422819601 283173595 /nfs/dbraw/zinc/17/35/95/283173595.db2.gz INFRHBWZMRDGDA-LSDHHAIUSA-N 2 0 269.433 1.075 10 0 CDAERP CC1(C)C[NH+]([C@H]2C[C@H]([NH3+])C23CCOCC3)CC(C)(C)O1 ZINC000725264434 538455690 /nfs/dbraw/zinc/45/56/90/538455690.db2.gz NHQNJEWBIKCNLV-STQMWFEESA-N 2 0 282.428 1.772 10 0 CDAERP O=C([C@H]1CCC[NH2+]C1)N1CCC([NH+]2CCCC2)CC1 ZINC000038101708 356643850 /nfs/dbraw/zinc/64/38/50/356643850.db2.gz OSXOEPZUDDDVNX-ZDUSSCGKSA-N 2 0 265.401 1.073 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000632203467 357288553 /nfs/dbraw/zinc/28/85/53/357288553.db2.gz XUVMGMVYEOTDSF-VNQPRFMTSA-N 2 0 295.471 1.905 10 0 CDAERP c1nc(CNCc2ccccc2CN2CCOCC2)co1 ZINC000192281066 358186141 /nfs/dbraw/zinc/18/61/41/358186141.db2.gz PZHOPELNKRHHBU-UHFFFAOYSA-N 2 0 287.363 1.797 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C[C@@H]([NH3+])c1ccccc1)C2 ZINC000634743890 358191492 /nfs/dbraw/zinc/19/14/92/358191492.db2.gz IDWOJVGKHRKFSM-OIISXLGYSA-N 2 0 287.407 1.535 10 0 CDAERP C[C@H]1C[C@H](NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)C[N@@H+]1C1CC1 ZINC000262366191 291141365 /nfs/dbraw/zinc/14/13/65/291141365.db2.gz LDTNUDZDADMVQS-CYDGBPFRSA-N 2 0 265.401 1.116 10 0 CDAERP C[C@@H](C(=O)N1CCO[C@H](C[NH+](C)C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000116978050 358246702 /nfs/dbraw/zinc/24/67/02/358246702.db2.gz CZXBOBMHVMYTCI-LJISPDSOSA-N 2 0 297.443 1.037 10 0 CDAERP C[C@@H]([NH3+])CC[NH2+]CCCCCCC[NH2+]CC[C@@H](C)[NH3+] ZINC000027651547 358520327 /nfs/dbraw/zinc/52/03/27/358520327.db2.gz GLVGSSCLMMUJJV-HUUCEWRRSA-N 4 0 272.481 1.591 10 0 CDAERP CCC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000236809667 358804397 /nfs/dbraw/zinc/80/43/97/358804397.db2.gz RJAKPZPHQLQYJZ-RDBSUJKOSA-N 2 0 267.417 1.588 10 0 CDAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261904332 359084117 /nfs/dbraw/zinc/08/41/17/359084117.db2.gz WPZWMGWNXZKFIJ-ZQDZILKHSA-N 2 0 279.428 1.317 10 0 CDAERP C[C@@]1(C[NH+]2CCC(O[C@H]3CCOC3)CC2)CC[NH2+]C1 ZINC000261907078 359085137 /nfs/dbraw/zinc/08/51/37/359085137.db2.gz XHDLLBAYUAPDSZ-LSDHHAIUSA-N 2 0 268.401 1.256 10 0 CDAERP C[C@@]1(C[NH+]2CCC(c3nnc4ccccn43)CC2)CC[NH2+]C1 ZINC000261984027 359114737 /nfs/dbraw/zinc/11/47/37/359114737.db2.gz JMFXXLIBULNMOO-QGZVFWFLSA-N 2 0 299.422 1.908 10 0 CDAERP Cn1cc(C[C@@H]2CC[N@H+](C[C@@]3(C)CC[NH2+]C3)C2)cn1 ZINC000572363924 359151424 /nfs/dbraw/zinc/15/14/24/359151424.db2.gz LRQCMASGRNTZFG-ZFWWWQNUSA-N 2 0 262.401 1.284 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000336486133 363630317 /nfs/dbraw/zinc/63/03/17/363630317.db2.gz VPXBQBWCNZPBHU-HNNXBMFYSA-N 2 0 279.428 1.273 10 0 CDAERP Cc1cc(NC2CCN(CC[NH+](C)C)CC2)cc[nH+]1 ZINC000274814423 192790703 /nfs/dbraw/zinc/79/07/03/192790703.db2.gz OELSFPSLWWWRMO-UHFFFAOYSA-N 2 0 262.401 1.828 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000335293845 359562167 /nfs/dbraw/zinc/56/21/67/359562167.db2.gz CNNIIRZMLPWBEX-OLZOCXBDSA-N 2 0 282.432 1.016 10 0 CDAERP C[C@@H](CCN[C@@H]1CC[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000379650435 359636183 /nfs/dbraw/zinc/63/61/83/359636183.db2.gz RWVMHXHMPSGRPA-GOEBONIOSA-N 2 0 261.413 1.849 10 0 CDAERP C[C@H]([NH2+][C@@H](CCO)C1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000423001939 359709841 /nfs/dbraw/zinc/70/98/41/359709841.db2.gz FIZKXQUAFHTCSW-QEJZJMRPSA-N 2 0 254.418 1.905 10 0 CDAERP OC[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccnc1 ZINC000348209636 359881395 /nfs/dbraw/zinc/88/13/95/359881395.db2.gz ZKIAYARHGMGWMB-XHSDSOJGSA-N 2 0 275.396 1.374 10 0 CDAERP Cc1cnn(CC[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000336845931 359915609 /nfs/dbraw/zinc/91/56/09/359915609.db2.gz GVPGIYAMLGJWQZ-UHFFFAOYSA-N 2 0 292.427 1.236 10 0 CDAERP [NH3+]CC1(C(=O)N2CCC(C[NH+]3CCCC3)CC2)CCCC1 ZINC000062032223 359951645 /nfs/dbraw/zinc/95/16/45/359951645.db2.gz HBQCTIVPIZVFQB-UHFFFAOYSA-N 2 0 293.455 1.840 10 0 CDAERP C[C@@]1(F)CNCCN(C(=O)c2ccc3c(c2)C[NH2+]C3)C1 ZINC000335341064 359980519 /nfs/dbraw/zinc/98/05/19/359980519.db2.gz CUFANOZTCQVSLE-OAHLLOKOSA-N 2 0 277.343 1.063 10 0 CDAERP C[C@@]1(C[NH+]2CCC(C[NH+]3CCCC3)CC2)CC[NH2+]C1 ZINC000062912534 360029832 /nfs/dbraw/zinc/02/98/32/360029832.db2.gz ANHZASYYZOFJGY-MRXNPFEDSA-N 3 0 265.445 1.794 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000337410134 360101738 /nfs/dbraw/zinc/10/17/38/360101738.db2.gz WJUZZDZTYVQPIK-FPCVCCKLSA-N 2 0 265.445 1.791 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCN2CCO[C@@H](C)C2)[C@H](C)C1 ZINC000337311977 360075818 /nfs/dbraw/zinc/07/58/18/360075818.db2.gz DGZBCIBQINMCFS-PMPSAXMXSA-N 2 0 283.460 1.369 10 0 CDAERP C[NH+](C)CCn1cccc1[C@H]([NH3+])c1cccc(O)c1 ZINC000011848786 360348119 /nfs/dbraw/zinc/34/81/19/360348119.db2.gz PTPBYQJNJWMWQA-OAHLLOKOSA-N 2 0 259.353 1.803 10 0 CDAERP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000566483820 360464616 /nfs/dbraw/zinc/46/46/16/360464616.db2.gz YKAAKAOBUIVPDB-GDLCADMTSA-N 2 0 264.417 1.827 10 0 CDAERP CC(C)[NH2+]CCCNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000515522615 360509135 /nfs/dbraw/zinc/50/91/35/360509135.db2.gz AMHKMHHYPHOEEM-UONOGXRCSA-N 2 0 284.448 1.499 10 0 CDAERP C[C@H](CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)[NH+](C)C1CC1 ZINC000113616382 360648688 /nfs/dbraw/zinc/64/86/88/360648688.db2.gz OFZJFIUFRBMPNN-UMVBOHGHSA-N 2 0 294.443 1.347 10 0 CDAERP CC[NH+](CC)CCCNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000626919022 360633857 /nfs/dbraw/zinc/63/38/57/360633857.db2.gz WLUKIOYGVOXKKQ-OLZOCXBDSA-N 2 0 270.421 1.158 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000626952039 360696862 /nfs/dbraw/zinc/69/68/62/360696862.db2.gz MYVFZTMBAGRPGO-AGIUHOORSA-N 2 0 270.421 1.156 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCCC[NH+](C)C2)C1 ZINC000628755062 361016900 /nfs/dbraw/zinc/01/69/00/361016900.db2.gz SVGJAPJFJYHGHU-ZIAGYGMSSA-N 2 0 267.417 1.176 10 0 CDAERP Cc1nccn1CC[N@@H+]1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000528789286 361035347 /nfs/dbraw/zinc/03/53/47/361035347.db2.gz QEVSJJYKRQONTQ-CYBMUJFWSA-N 2 0 273.340 1.524 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)N(C)CC(C)(C)C[NH3+])cc1 ZINC000418464149 296030171 /nfs/dbraw/zinc/03/01/71/296030171.db2.gz PHWJDWTZESSRRT-GFCCVEGCSA-N 2 0 292.427 1.833 10 0 CDAERP C[NH+]1CCC(CC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000336571604 363760611 /nfs/dbraw/zinc/76/06/11/363760611.db2.gz MIUVDDLXJIICOU-LSDHHAIUSA-N 2 0 279.428 1.461 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+]Cc2ccc(F)nc2C)CC1 ZINC000278322071 366825207 /nfs/dbraw/zinc/82/52/07/366825207.db2.gz FORBUOKOORVIRP-UHFFFAOYSA-N 2 0 294.418 1.646 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@]2(CC[NH+](C)C2)C1 ZINC000336616891 363839800 /nfs/dbraw/zinc/83/98/00/363839800.db2.gz VLKGKCKAKDPHIL-ZBFHGGJFSA-N 2 0 279.428 1.415 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000566438220 370722685 /nfs/dbraw/zinc/72/26/85/370722685.db2.gz NGQYCVPIICZNHX-LSDHHAIUSA-N 2 0 279.428 1.415 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000248870882 364324953 /nfs/dbraw/zinc/32/49/53/364324953.db2.gz OTFDFRDRQAEDEM-BYNSBNAKSA-N 2 0 297.443 1.214 10 0 CDAERP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc(C[NH3+])cc1 ZINC000248889158 364339586 /nfs/dbraw/zinc/33/95/86/364339586.db2.gz RODVLFNMNFPFPK-SWLSCSKDSA-N 2 0 275.396 1.558 10 0 CDAERP O=C(C[NH2+]CC1CC1)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000167775702 364361228 /nfs/dbraw/zinc/36/12/28/364361228.db2.gz VDCUJXIDNMZQPB-HNNXBMFYSA-N 2 0 279.428 1.463 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000357237596 366852490 /nfs/dbraw/zinc/85/24/90/366852490.db2.gz WQFMDBBRCPXHRH-AGIUHOORSA-N 2 0 253.390 1.022 10 0 CDAERP CCN1CC[NH+](CCCC[NH2+]C[C@H](C)COC)CC1 ZINC000187662660 364798442 /nfs/dbraw/zinc/79/84/42/364798442.db2.gz NLHDLVYHBXUASE-HNNXBMFYSA-N 2 0 271.449 1.276 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000418099481 364996575 /nfs/dbraw/zinc/99/65/75/364996575.db2.gz NOGSCDNPWMRBLC-SRVKXCTJSA-N 2 0 270.421 1.142 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@H](CC)Cn2cncn2)CC1 ZINC000353431458 365202949 /nfs/dbraw/zinc/20/29/49/365202949.db2.gz ZBLFHVIKDBGHRU-OAHLLOKOSA-N 2 0 279.432 1.768 10 0 CDAERP C[C@@H]([NH2+]CCCC[NH+](C)C)c1cc2n(n1)CCC2 ZINC000414084620 241060347 /nfs/dbraw/zinc/06/03/47/241060347.db2.gz XJUYIVDFDXWNOH-GFCCVEGCSA-N 2 0 250.390 1.822 10 0 CDAERP C[C@@H]1CN(C)C[C@H]1[NH2+][C@H]1CCN(c2ccc(F)cc2)C1 ZINC000414350733 241163994 /nfs/dbraw/zinc/16/39/94/241163994.db2.gz QZSBTKGEHKYUNV-IVMMDQJWSA-N 2 0 277.387 1.944 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000626989346 367182392 /nfs/dbraw/zinc/18/23/92/367182392.db2.gz ZZBYILWQNRQQSZ-APYLGABCSA-N 2 0 280.416 1.051 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000516875527 367202773 /nfs/dbraw/zinc/20/27/73/367202773.db2.gz BIYQHSFQTGGQMI-HNNXBMFYSA-N 2 0 293.455 1.805 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1[NH2+]CCCC1(C)C)[N@H+](C)C1CC1 ZINC000219943125 367276167 /nfs/dbraw/zinc/27/61/67/367276167.db2.gz AXKJZUZWSNNKMK-WCQYABFASA-N 2 0 267.417 1.364 10 0 CDAERP C[C@]1(C[N@H+](CCC(N)=O)Cc2ccccc2)CC[NH2+]C1 ZINC000261910182 291378098 /nfs/dbraw/zinc/37/80/98/291378098.db2.gz YABJPHSVDKCMAC-INIZCTEOSA-N 2 0 275.396 1.364 10 0 CDAERP O=C([C@H]1CC12CC[NH2+]CC2)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000226427972 296096217 /nfs/dbraw/zinc/09/62/17/296096217.db2.gz KXTDIAMIDLFYIE-ZIAGYGMSSA-N 2 0 277.412 1.073 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]CCC2CCS(=O)(=O)CC2)CC[N@@H+]1C ZINC000358296139 367581502 /nfs/dbraw/zinc/58/15/02/367581502.db2.gz DRBPAJJPCWEWDL-JSGCOSHPSA-N 2 0 288.457 1.274 10 0 CDAERP C[C@@H](NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)[C@H](C)[NH3+] ZINC000416835011 242175541 /nfs/dbraw/zinc/17/55/41/242175541.db2.gz STIKFXLYDTWDOZ-YNEHKIRRSA-N 2 0 294.399 1.451 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC000627164468 367595114 /nfs/dbraw/zinc/59/51/14/367595114.db2.gz NUSOCEIDKSBHQZ-XDQVBPFNSA-N 2 0 282.432 1.251 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NCC1([NH3+])CCCCC1 ZINC000417002176 242260033 /nfs/dbraw/zinc/26/00/33/242260033.db2.gz FWFFLTNWGLVFJS-CYBMUJFWSA-N 2 0 284.448 1.678 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000417013357 242268393 /nfs/dbraw/zinc/26/83/93/242268393.db2.gz BTQSNMFTEKTVNN-XGUBFFRZSA-N 2 0 296.459 1.486 10 0 CDAERP O=C([C@H]1CCCC[NH2+]1)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000373039433 296102731 /nfs/dbraw/zinc/10/27/31/296102731.db2.gz FTMCUZSKWDJBHI-LSDHHAIUSA-N 2 0 279.428 1.605 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N(CC[NH3+])Cc2ccccc2)C[NH2+]1 ZINC000627207679 367705329 /nfs/dbraw/zinc/70/53/29/367705329.db2.gz RYFFXCXDZCZONZ-HIFRSBDPSA-N 2 0 290.411 1.297 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N(C)CCC[NH+]2CCCC2)C[NH2+]1 ZINC000627203748 367697960 /nfs/dbraw/zinc/69/79/60/367697960.db2.gz QDESTZBIZQOCLG-KGLIPLIRSA-N 2 0 282.432 1.254 10 0 CDAERP CC[NH2+]CC1CCN(C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627207977 367709598 /nfs/dbraw/zinc/70/95/98/367709598.db2.gz VFTCPPSNJICQFA-OCCSQVGLSA-N 2 0 282.432 1.158 10 0 CDAERP CC[NH+](CC)CCC[C@@H](C)NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638047365 367777771 /nfs/dbraw/zinc/77/77/71/367777771.db2.gz FMTQZTLCQKXZPR-TZMCWYRMSA-N 2 0 267.417 1.661 10 0 CDAERP COCCN(C)c1ccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)cn1 ZINC000414943652 370873681 /nfs/dbraw/zinc/87/36/81/370873681.db2.gz OEIHSTOVPZZJKI-HIFRSBDPSA-N 2 0 292.427 1.252 10 0 CDAERP [NH3+][C@H]1CC=C(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000638048832 367803954 /nfs/dbraw/zinc/80/39/54/367803954.db2.gz UQZMBMBEJYVPIJ-INIZCTEOSA-N 2 0 299.418 1.815 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH2+][C@H]2C)C[C@H]1C ZINC000627240784 367804964 /nfs/dbraw/zinc/80/49/64/367804964.db2.gz XTEWNYKARZVDIS-ZOBORPQBSA-N 2 0 282.432 1.251 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CC[NH+]2C2CCCC2)CC[N@@H+]1C ZINC000530028865 368123774 /nfs/dbraw/zinc/12/37/74/368123774.db2.gz RUWYFUPRPQDXFQ-DZKIICNBSA-N 2 0 293.455 1.850 10 0 CDAERP C[C@@H](C[NH+](C)C)NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000360183563 368164738 /nfs/dbraw/zinc/16/47/38/368164738.db2.gz FBBVIQNHLQTHEG-QWHCGFSZSA-N 2 0 255.406 1.317 10 0 CDAERP C[C@@H](NC1CC[NH+](C(C)(C)C)CC1)[C@H]1CC[NH2+]C1 ZINC000400344429 296114791 /nfs/dbraw/zinc/11/47/91/296114791.db2.gz GPKNJUSZFMXXQY-OLZOCXBDSA-N 2 0 253.434 1.837 10 0 CDAERP C[C@@H]1CCN(C(=O)NCC[C@@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000418354748 242975587 /nfs/dbraw/zinc/97/55/87/242975587.db2.gz WCWKSAWGXQQRAW-HZSPNIEDSA-N 2 0 282.432 1.002 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000418585640 243240657 /nfs/dbraw/zinc/24/06/57/243240657.db2.gz DNSCOABNDQCDSH-ZFWWWQNUSA-N 2 0 296.459 1.500 10 0 CDAERP CCN(CCC[NH+](CC)CC)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000418585946 243242752 /nfs/dbraw/zinc/24/27/52/243242752.db2.gz DVMDCEKNZDVTFZ-GJZGRUSLSA-N 2 0 298.475 1.748 10 0 CDAERP CC[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)[NH+](C)C ZINC000360971780 368578999 /nfs/dbraw/zinc/57/89/99/368578999.db2.gz XACKWQSDQTUQQQ-QWHCGFSZSA-N 2 0 253.390 1.022 10 0 CDAERP Cc1[nH+]ccc(NCC2([NH3+])CCOCC2)c1Cl ZINC000630524493 369137240 /nfs/dbraw/zinc/13/72/40/369137240.db2.gz PZLRSMJYQPQUJH-UHFFFAOYSA-N 2 0 255.749 1.385 10 0 CDAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638284963 369164294 /nfs/dbraw/zinc/16/42/94/369164294.db2.gz JEWAVSFLGYJDTL-XYPHTWIQSA-N 2 0 299.418 1.671 10 0 CDAERP CC(=O)N1CCC(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000367604964 369196452 /nfs/dbraw/zinc/19/64/52/369196452.db2.gz DRTABIBUPWOZHC-ZACQAIPSSA-N 2 0 293.455 1.707 10 0 CDAERP C[C@H](CC[NH3+])[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000414894969 369424407 /nfs/dbraw/zinc/42/44/07/369424407.db2.gz MFALSPCHCDFWNP-SNVBAGLBSA-N 2 0 250.371 1.761 10 0 CDAERP CCC[C@@](C)([NH3+])C(=O)NCC1([NH3+])CCCCCC1 ZINC000368451721 369480571 /nfs/dbraw/zinc/48/05/71/369480571.db2.gz UKOLHQULTAPPCP-CYBMUJFWSA-N 2 0 255.406 1.672 10 0 CDAERP C[C@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)C[NH+]1CCCC1 ZINC000170831931 369520000 /nfs/dbraw/zinc/52/00/00/369520000.db2.gz WAQPNMGOLXHCMA-ZIAGYGMSSA-N 2 0 282.432 1.064 10 0 CDAERP C[C@@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)C[NH+]1CCCC1 ZINC000170831922 369525424 /nfs/dbraw/zinc/52/54/24/369525424.db2.gz WAQPNMGOLXHCMA-KBPBESRZSA-N 2 0 282.432 1.064 10 0 CDAERP O=C(CC[C@@H]1CC[NH2+]C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000134525992 369567154 /nfs/dbraw/zinc/56/71/54/369567154.db2.gz RZHFTGNNYSQGKJ-OAHLLOKOSA-N 2 0 293.455 1.711 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000638379966 369568036 /nfs/dbraw/zinc/56/80/36/369568036.db2.gz SCDNQJDBBBKULM-OWYJLGKBSA-N 2 0 265.401 1.201 10 0 CDAERP C[C@]1(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CCCC[NH2+]1 ZINC000136206861 369808802 /nfs/dbraw/zinc/80/88/02/369808802.db2.gz RSIDEEUHGMNNPI-UKRRQHHQSA-N 2 0 265.401 1.215 10 0 CDAERP C[NH+]1CCN([C@H](C[NH3+])c2ccc3c(c2)OCCCO3)CC1 ZINC000037675131 369894894 /nfs/dbraw/zinc/89/48/94/369894894.db2.gz PRGUFKQOWABNAV-CQSZACIVSA-N 2 0 291.395 1.095 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@@H]([NH3+])C2CCC2)cc1 ZINC000422541736 245102035 /nfs/dbraw/zinc/10/20/35/245102035.db2.gz OZWTVBNMQDSWQS-YGRLFVJLSA-N 2 0 261.369 1.450 10 0 CDAERP CCCn1cc(C[NH2+]CC2(COC)CC[NH2+]CC2)cn1 ZINC000414970893 371130874 /nfs/dbraw/zinc/13/08/74/371130874.db2.gz IAMDGSQOYMFUMI-UHFFFAOYSA-N 2 0 280.416 1.399 10 0 CDAERP CCc1noc(CC)c1C[NH2+][C@H](CCC[NH3+])COC ZINC000422867826 245355368 /nfs/dbraw/zinc/35/53/68/245355368.db2.gz TVGDRDCFSCDRNF-LLVKDONJSA-N 2 0 269.389 1.643 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652137710 412788779 /nfs/dbraw/zinc/78/87/79/412788779.db2.gz TUDZWDSNTMEAKO-CYBMUJFWSA-N 2 0 282.432 1.147 10 0 CDAERP CC[C@]1(C(=O)NCC[N@H+](C)Cc2ccccc2)CC[NH2+]C1 ZINC000368566560 372657920 /nfs/dbraw/zinc/65/79/20/372657920.db2.gz MBNJVRPWRQHCMK-KRWDZBQOSA-N 2 0 289.423 1.624 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000333294802 205192621 /nfs/dbraw/zinc/19/26/21/205192621.db2.gz IEXMFUGZJALPAX-BFHYXJOUSA-N 2 0 282.432 1.095 10 0 CDAERP CC[C@H]1C[N@H+](CCCc2cncn2C)C[C@]2(CCOC2)O1 ZINC000581318522 372942414 /nfs/dbraw/zinc/94/24/14/372942414.db2.gz WWOHIMMQCBGAEI-HOTGVXAUSA-N 2 0 293.411 1.623 10 0 CDAERP CCCN(CC[NH+]1CCCC1)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000581379539 372984532 /nfs/dbraw/zinc/98/45/32/372984532.db2.gz PXYKPDKJZDNRPS-HNNXBMFYSA-N 2 0 281.444 1.663 10 0 CDAERP CCC[C@@H](C(=O)N(C)CC[N@H+](C)C1CC1)[NH+](C)C ZINC000186788632 373171616 /nfs/dbraw/zinc/17/16/16/373171616.db2.gz JMOKVQKIBSGCHN-ZDUSSCGKSA-N 2 0 255.406 1.269 10 0 CDAERP C[NH2+]C[C@@H](C)CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000418369568 373233574 /nfs/dbraw/zinc/23/35/74/373233574.db2.gz ULINHUZOOLYTHB-KFWWJZLASA-N 2 0 296.459 1.499 10 0 CDAERP CC[NH+](CC)[C@@H](C)CNC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000189954366 373306341 /nfs/dbraw/zinc/30/63/41/373306341.db2.gz XAXKFVJGRXJKCM-AWEZNQCLSA-N 2 0 298.475 1.842 10 0 CDAERP CC[C@@H]1CN([C@@H]2CCN(C3CCC3)C2=O)CC[C@H]1[NH3+] ZINC000631824387 373709626 /nfs/dbraw/zinc/70/96/26/373709626.db2.gz DHUBTDONUWBHLW-MRVWCRGKSA-N 2 0 265.401 1.199 10 0 CDAERP CCN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000631825496 373710764 /nfs/dbraw/zinc/71/07/64/373710764.db2.gz KMKPJWMTEIREGA-NSHDSACASA-N 2 0 295.349 1.458 10 0 CDAERP C[C@H](CNC(=O)N[C@H]1CCCC[NH2+]C1)C[NH+]1CCCC1 ZINC000333843658 205763208 /nfs/dbraw/zinc/76/32/08/205763208.db2.gz VQHTYSVMDPKDGX-KGLIPLIRSA-N 2 0 282.432 1.160 10 0 CDAERP CCN(CCC[NH+](CC)CC)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000418575147 374414085 /nfs/dbraw/zinc/41/40/85/374414085.db2.gz MTXXGAIMHHAXMP-HUUCEWRRSA-N 2 0 298.475 1.748 10 0 CDAERP O=C(NCCC[C@@H]1CCC[NH2+]1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000418758086 374568916 /nfs/dbraw/zinc/56/89/16/374568916.db2.gz ZUNYIDRVYJYVLQ-GXTWGEPZSA-N 2 0 280.416 1.055 10 0 CDAERP Cc1nccn1CCC[NH2+]Cc1ncnn1C(C)C ZINC000631047249 374668165 /nfs/dbraw/zinc/66/81/65/374668165.db2.gz RAXKUCQVRCBIPN-UHFFFAOYSA-N 2 0 262.361 1.544 10 0 CDAERP CC(C[NH+](C[C@@H](C)O)C(C)C)C[N@@H+](C[C@@H](C)O)C(C)C ZINC000124695683 374832663 /nfs/dbraw/zinc/83/26/63/374832663.db2.gz HWHSRPPYWWWXMY-HZPDHXFCSA-N 2 0 288.476 1.805 10 0 CDAERP CC(C)[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CCF)[NH+](C)C ZINC001661926351 1172467781 /nfs/dbraw/zinc/46/77/81/1172467781.db2.gz XLFCTOBYAIDMIT-KGLIPLIRSA-N 2 0 287.423 1.513 10 0 CDAERP CC(C)CC[C@@H]([NH3+])C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000638854502 375077521 /nfs/dbraw/zinc/07/75/21/375077521.db2.gz QBTQZCUSUHKMOP-ZIAGYGMSSA-N 2 0 267.417 1.303 10 0 CDAERP CC(C)(C)OC[C@@H](O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047972275 375261040 /nfs/dbraw/zinc/26/10/40/375261040.db2.gz TVLNIZKAWMZIIL-INIZCTEOSA-N 2 0 298.471 1.970 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)CN1C1CC1 ZINC000131935711 375464923 /nfs/dbraw/zinc/46/49/23/375464923.db2.gz KMZFXHYYJPYADR-OSFYFWSMSA-N 2 0 252.402 1.752 10 0 CDAERP CCc1ccc(CN2CCN(C(=O)C[NH+](C)C)CC2)s1 ZINC000132083276 375402397 /nfs/dbraw/zinc/40/23/97/375402397.db2.gz KRJOMGUMYQAOMO-UHFFFAOYSA-N 2 0 295.452 1.516 10 0 CDAERP C[N@H+](CCCNC(=O)NCCC[NH3+])Cc1ccccc1 ZINC000416873928 375694026 /nfs/dbraw/zinc/69/40/26/375694026.db2.gz OMJUDQSLDAHMQZ-UHFFFAOYSA-N 2 0 278.400 1.157 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000417011943 375716103 /nfs/dbraw/zinc/71/61/03/375716103.db2.gz UMQVPPZDFYBRLB-MCIONIFRSA-N 2 0 284.448 1.343 10 0 CDAERP CSC1(C[NH2+][C@H]2CN(C)C[C@@H]2C)CC[NH+](C)CC1 ZINC000353228068 375856430 /nfs/dbraw/zinc/85/64/30/375856430.db2.gz PWYWNCIIQLTSTA-STQMWFEESA-N 2 0 271.474 1.354 10 0 CDAERP CC[C@@H]([NH2+]C)C(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000638980942 376338506 /nfs/dbraw/zinc/33/85/06/376338506.db2.gz PJIDBVQXAQTAEJ-GFCCVEGCSA-N 2 0 255.406 1.317 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)NC[C@H](C)C[NH3+])CC1 ZINC000418462071 284580251 /nfs/dbraw/zinc/58/02/51/284580251.db2.gz AZUHGPDGLQBAMI-CYBMUJFWSA-N 2 0 284.448 1.345 10 0 CDAERP CCC1([NH+](C)C)CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000631865170 376745697 /nfs/dbraw/zinc/74/56/97/376745697.db2.gz BNVMAHIDDWVVGZ-AWEZNQCLSA-N 3 0 253.434 1.792 10 0 CDAERP CC[N@H+](C)C[C@H]1CCN(CC(=O)NC(C)(C)CC)C1 ZINC000072859172 376811585 /nfs/dbraw/zinc/81/15/85/376811585.db2.gz PGQHDBPXUPCOHA-CYBMUJFWSA-N 2 0 269.433 1.565 10 0 CDAERP Cc1ccccc1[C@@H]([NH3+])C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000334650522 377211312 /nfs/dbraw/zinc/21/13/12/377211312.db2.gz CGFASXUZBDYUHX-NWDGAFQWSA-N 2 0 283.322 1.108 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000334650480 377211456 /nfs/dbraw/zinc/21/14/56/377211456.db2.gz CCEJNQBDFSHFIN-LBPRGKRZSA-N 2 0 289.370 1.220 10 0 CDAERP CO[C@H]1C[C@H](c2nc(C)no2)N(CCCn2ccnc2)C1 ZINC000189322828 377256938 /nfs/dbraw/zinc/25/69/38/377256938.db2.gz YEDRRNQLRCJTRU-QWHCGFSZSA-N 2 0 291.355 1.427 10 0 CDAERP C[NH+](C)CCC[C@H]1C[N@H+](CCC2CCOCC2)CCO1 ZINC000662324831 412892792 /nfs/dbraw/zinc/89/27/92/412892792.db2.gz YPYZOVHEZHLLHR-INIZCTEOSA-N 2 0 284.444 1.846 10 0 CDAERP C[NH+](C)CCC[C@H]1C[N@H+](C[C@H](O)C2CCCCC2)CCO1 ZINC000662323715 412893493 /nfs/dbraw/zinc/89/34/93/412893493.db2.gz PPBNWHBCSRVAAI-IRXDYDNUSA-N 2 0 298.471 1.970 10 0 CDAERP C[NH2+]C[C@H]1CCCN1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000417790652 378823867 /nfs/dbraw/zinc/82/38/67/378823867.db2.gz NIUYTOTXWKWXJJ-JALIKCBVSA-N 2 0 294.443 1.395 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@H](C)[C@H]1CO ZINC000443859118 250058679 /nfs/dbraw/zinc/05/86/79/250058679.db2.gz WTBKDGLPYLYMMT-MLGOLLRUSA-N 2 0 286.379 1.778 10 0 CDAERP C[C@@H]1CC2(C[N@@H+]1CC(=O)N(C)CC1CC1)CC[NH2+]CC2 ZINC000424292913 296294287 /nfs/dbraw/zinc/29/42/87/296294287.db2.gz OTNYPDVCQOUELS-CYBMUJFWSA-N 2 0 279.428 1.319 10 0 CDAERP CC(C)[C@H]1CN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC[N@@H+]1C ZINC000634301139 379359943 /nfs/dbraw/zinc/35/99/43/379359943.db2.gz XULROTFLFDHESL-BFHYXJOUSA-N 2 0 267.417 1.303 10 0 CDAERP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000334594212 379485829 /nfs/dbraw/zinc/48/58/29/379485829.db2.gz ZBFSPCDDNGZBKH-QWHCGFSZSA-N 2 0 276.384 1.504 10 0 CDAERP C[C@H]1[NH2+]CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@H]1C ZINC000417796079 379609961 /nfs/dbraw/zinc/60/99/61/379609961.db2.gz RKZFXTUDUJVUTB-WQGXVZNYSA-N 2 0 294.443 1.394 10 0 CDAERP Cn1cccc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657596097 412925161 /nfs/dbraw/zinc/92/51/61/412925161.db2.gz USHUWPYNDQEWDV-GOSISDBHSA-N 2 0 299.418 1.882 10 0 CDAERP CC[NH+](CC)CCOc1nc2c(cc1C(N)=[NH2+])CCCC2 ZINC000043410537 184559507 /nfs/dbraw/zinc/55/95/07/184559507.db2.gz USWUBTSSVMHRGB-UHFFFAOYSA-N 2 0 290.411 1.965 10 0 CDAERP COCCN(CCn1ccnc1C)Cc1ccnn1C ZINC000489854542 253013218 /nfs/dbraw/zinc/01/32/18/253013218.db2.gz MZGUAAFKSRRSCB-UHFFFAOYSA-N 2 0 277.372 1.074 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCC2(C)CC[NH2+]CC2)C1 ZINC000655965460 412977357 /nfs/dbraw/zinc/97/73/57/412977357.db2.gz VEDYFOZDODNWTL-BETUJISGSA-N 2 0 282.432 1.016 10 0 CDAERP CCCN(C(=O)c1cc(C(C)(C)[NH3+])no1)[C@@H]1CC[NH2+]C1 ZINC000662414431 412985220 /nfs/dbraw/zinc/98/52/20/412985220.db2.gz ZHDIIUOOYYKLMH-SNVBAGLBSA-N 2 0 280.372 1.083 10 0 CDAERP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](O)C23CCC3)CN1C1CC1 ZINC000657703899 412989258 /nfs/dbraw/zinc/98/92/58/412989258.db2.gz CSGBQRAMACKTSV-ZMJPVWNMSA-N 2 0 250.386 1.505 10 0 CDAERP CN(C)c1ccncc1C[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000657703877 412990991 /nfs/dbraw/zinc/99/09/91/412990991.db2.gz CKWKXRHRSOHHMZ-ZIAGYGMSSA-N 2 0 261.369 1.541 10 0 CDAERP O[C@H]1C[C@H]([NH2+]Cc2cccc3nccn32)C12CCC2 ZINC000657708177 412993510 /nfs/dbraw/zinc/99/35/10/412993510.db2.gz XVVHOGJJBPPIRO-STQMWFEESA-N 2 0 257.337 1.727 10 0 CDAERP CN1CCN(C(=O)[C@@H]2CCCC3(CC3)C2)[C@@H](C[NH3+])C1 ZINC000662428131 413006113 /nfs/dbraw/zinc/00/61/13/413006113.db2.gz HKTNRYLTARQFIN-OLZOCXBDSA-N 2 0 265.401 1.058 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417580142 285196509 /nfs/dbraw/zinc/19/65/09/285196509.db2.gz CNHBYERGMJYAIM-HUUCEWRRSA-N 2 0 294.443 1.397 10 0 CDAERP CCCC[C@H](C[NH3+])NC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662431051 413012130 /nfs/dbraw/zinc/01/21/30/413012130.db2.gz HEKZHNKLNYPVFP-LLVKDONJSA-N 2 0 253.390 1.282 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C[C@@H]1C ZINC000261617930 285368727 /nfs/dbraw/zinc/36/87/27/285368727.db2.gz ALQHQCDFESFZJE-GBJTYRQASA-N 2 0 281.444 1.693 10 0 CDAERP C[N@H+](CCC(=O)N1CC[C@H]2C[NH+](C)C[C@H]21)C1CCCCC1 ZINC000646912076 390295667 /nfs/dbraw/zinc/29/56/67/390295667.db2.gz MTMFOOYEPKUPRU-GOEBONIOSA-N 2 0 293.455 1.804 10 0 CDAERP C[NH+](C)Cc1cccc(C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)c1 ZINC000646937726 390300951 /nfs/dbraw/zinc/30/09/51/390300951.db2.gz QZGPAHXHQQVNIL-HOTGVXAUSA-N 2 0 287.407 1.524 10 0 CDAERP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000646944070 390305020 /nfs/dbraw/zinc/30/50/20/390305020.db2.gz ZNTYSASKAZUPCV-FRRDWIJNSA-N 2 0 267.417 1.316 10 0 CDAERP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2CC[NH2+]C2)cc1 ZINC000646967810 390322412 /nfs/dbraw/zinc/32/24/12/390322412.db2.gz MHBUHRQJSSWLQS-CYBMUJFWSA-N 2 0 261.369 1.088 10 0 CDAERP C[NH+](C)CC[C@H](NC(=O)[C@H]1CC[C@@H]([NH3+])C1)C(C)(C)C ZINC000236986777 390590135 /nfs/dbraw/zinc/59/01/35/390590135.db2.gz JVONLBDXDQLUOS-XQQFMLRXSA-N 2 0 269.433 1.596 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCC(C)([NH3+])CC1 ZINC000647530742 390679643 /nfs/dbraw/zinc/67/96/43/390679643.db2.gz CPXHVEVUIVLSMC-UHFFFAOYSA-N 2 0 285.395 1.889 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)[C@@]2(O)CCOC2)[C@@H](C)C1 ZINC000647340300 390943330 /nfs/dbraw/zinc/94/33/30/390943330.db2.gz HIMTWQQUSNIRQV-OFQRWUPVSA-N 2 0 284.444 1.484 10 0 CDAERP CC(C)[N@@H+]1CCCN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000336083494 390914130 /nfs/dbraw/zinc/91/41/30/390914130.db2.gz WNUPBQTZWRRREP-KBPBESRZSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1ccc(CO)c(F)c1 ZINC000415091175 391012882 /nfs/dbraw/zinc/01/28/82/391012882.db2.gz PUGYETSPWRNTOS-SMDDNHRTSA-N 2 0 266.360 1.938 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N(C)C[C@@H]2CCC[NH+](C)C2)C1 ZINC000520605542 391014948 /nfs/dbraw/zinc/01/49/48/391014948.db2.gz BGPMFLSKKBVVFE-UONOGXRCSA-N 2 0 267.417 1.128 10 0 CDAERP Cc1nn(C)c(C)c1C[C@H](C)[NH2+]C[C@H]([NH3+])CC(C)C ZINC000415096917 391020843 /nfs/dbraw/zinc/02/08/43/391020843.db2.gz BZPDSEWPNHEFIW-SMDDNHRTSA-N 2 0 266.433 1.931 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000417946687 391008078 /nfs/dbraw/zinc/00/80/78/391008078.db2.gz ZFJZFURMTBFRNN-HXSCFSKGSA-N 2 0 296.459 1.533 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1CCC(F)CC1 ZINC000647804015 391066680 /nfs/dbraw/zinc/06/66/80/391066680.db2.gz HURLLHIGWIJNEN-FDZXDKCCSA-N 2 0 258.381 1.857 10 0 CDAERP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)CC[C@@H]1CCCC[NH+]1C ZINC000355707294 391110193 /nfs/dbraw/zinc/11/01/93/391110193.db2.gz FEOPDZRQYFMHDP-KFWWJZLASA-N 2 0 281.444 1.802 10 0 CDAERP COCC[N@H+](C)CCC[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657832443 413049101 /nfs/dbraw/zinc/04/91/01/413049101.db2.gz DDGCZKNTGLBWOT-ZDUSSCGKSA-N 2 0 256.390 1.256 10 0 CDAERP C[N@@H+]1CCC[C@]2(CCN(C[C@H](O)CC(F)(F)F)C2)C1 ZINC000339439348 391303101 /nfs/dbraw/zinc/30/31/01/391303101.db2.gz UJTXGPGZSBZMBP-NEPJUHHUSA-N 2 0 280.334 1.717 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000171906840 391316236 /nfs/dbraw/zinc/31/62/36/391316236.db2.gz ZWTNWFYHCUAFFR-UONOGXRCSA-N 2 0 282.432 1.206 10 0 CDAERP [NH3+]C[C@H]1CC[C@H](CNC(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000418344738 391349577 /nfs/dbraw/zinc/34/95/77/391349577.db2.gz KUHQTESJAPJELF-KKUMJFAQSA-N 2 0 296.459 1.440 10 0 CDAERP CC(C)C[C@@H]([NH3+])CN1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000414706842 391349608 /nfs/dbraw/zinc/34/96/08/391349608.db2.gz OQQPUAXKKHDTGC-HUUCEWRRSA-N 2 0 269.433 1.014 10 0 CDAERP NC[C@H]1c2ccccc2CC[N@H+]1CC1CC[NH2+]CC1 ZINC000335448759 391433782 /nfs/dbraw/zinc/43/37/82/391433782.db2.gz RUVKXHQMPPFMSH-INIZCTEOSA-N 2 0 259.397 1.544 10 0 CDAERP CCc1nccn1[C@@H](C)CC(=O)N1CC[NH2+]C[C@@H]1C ZINC000647711551 391463503 /nfs/dbraw/zinc/46/35/03/391463503.db2.gz FIZIOLVDGICQLN-RYUDHWBXSA-N 2 0 264.373 1.217 10 0 CDAERP [NH3+]C[C@H]1CCC[C@@H]1Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000643469425 391479877 /nfs/dbraw/zinc/47/98/77/391479877.db2.gz UTBMTCYQBXATJQ-RISCZKNCSA-N 2 0 257.341 1.807 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+][C@@H]2CC[C@H]2SC)CC1 ZINC000425353920 391483151 /nfs/dbraw/zinc/48/31/51/391483151.db2.gz NMXWAZHIHPSBGD-ZIAGYGMSSA-N 2 0 271.474 1.498 10 0 CDAERP CCc1ccccc1[C@@H]([NH3+])CNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000417836512 391502911 /nfs/dbraw/zinc/50/29/11/391502911.db2.gz OYCJEORJNJACMW-DOTOQJQBSA-N 2 0 289.423 1.755 10 0 CDAERP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1=O ZINC000358195874 391542377 /nfs/dbraw/zinc/54/23/77/391542377.db2.gz CYAMLCSMNCHNMZ-ZSAUSMIDSA-N 2 0 277.412 1.212 10 0 CDAERP c1nnc([C@@H]2CCC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)n1C1CC1 ZINC000647988496 391644510 /nfs/dbraw/zinc/64/45/10/391644510.db2.gz SHDQIMSHLOWYBX-CHWSQXEVSA-N 2 0 275.400 1.402 10 0 CDAERP C[C@@H](NC(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1)[C@H](C)[NH3+] ZINC000417587584 391684834 /nfs/dbraw/zinc/68/48/34/391684834.db2.gz NXRRDNQSHAMCEJ-MELADBBJSA-N 2 0 292.427 1.542 10 0 CDAERP CCc1noc(C2CCC([NH2+][C@H](C)[C@@H](C)[NH3+])CC2)n1 ZINC000415015419 391724032 /nfs/dbraw/zinc/72/40/32/391724032.db2.gz MZTIFQDRZXIRMF-QYNFOATHSA-N 2 0 266.389 1.984 10 0 CDAERP C[C@@H]([NH2+]Cc1cc(-n2ccnc2)cs1)[C@H](C)[NH3+] ZINC000415023254 391727418 /nfs/dbraw/zinc/72/74/18/391727418.db2.gz WJTMTROBVNBTEQ-VHSXEESVSA-N 2 0 250.371 1.759 10 0 CDAERP COC1CCC([NH2+]C2CCC([NH+]3CCNCC3)CC2)CC1 ZINC000415054866 391738357 /nfs/dbraw/zinc/73/83/57/391738357.db2.gz NXAFWADPLKAMFT-UHFFFAOYSA-N 2 0 295.471 1.750 10 0 CDAERP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)COC1CCC([NH3+])CC1 ZINC000647650106 391787496 /nfs/dbraw/zinc/78/74/96/391787496.db2.gz IVRYGHZQTBVHFM-ABXWRUBCSA-N 2 0 283.416 1.001 10 0 CDAERP Cc1ccc(C[N@H+](C)CCN2CC[NH2+]CC2)c(C)n1 ZINC000647836204 391818678 /nfs/dbraw/zinc/81/86/78/391818678.db2.gz ONTUOGCHHZFUSM-UHFFFAOYSA-N 2 0 262.401 1.035 10 0 CDAERP Cn1nccc1-c1ccccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000646104913 392013836 /nfs/dbraw/zinc/01/38/36/392013836.db2.gz AFQXAMOZSHIYKF-GASCZTMLSA-N 2 0 282.391 1.738 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)CCC(C)(C)[NH3+])[C@H](C)C1 ZINC000649340661 392069475 /nfs/dbraw/zinc/06/94/75/392069475.db2.gz KDLBEHUHHGKVFT-CHWSQXEVSA-N 2 0 269.433 1.693 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CCC[NH+]1C ZINC000422019271 392179028 /nfs/dbraw/zinc/17/90/28/392179028.db2.gz KFPJCYBUODGYAQ-UONOGXRCSA-N 2 0 267.417 1.413 10 0 CDAERP O=C1NCC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000431333778 392185778 /nfs/dbraw/zinc/18/57/78/392185778.db2.gz SNYCTZCVGFYNBJ-MRXNPFEDSA-N 2 0 287.407 1.651 10 0 CDAERP C(CN1CCOCC1)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000649415120 392198877 /nfs/dbraw/zinc/19/88/77/392198877.db2.gz LESICJTXDXGALJ-CVEARBPZSA-N 2 0 281.444 1.173 10 0 CDAERP CC(C)[C@H](O)C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422987065 392273331 /nfs/dbraw/zinc/27/33/31/392273331.db2.gz FBWDNTLFWGWRKL-INMHGKMJSA-N 2 0 290.407 1.849 10 0 CDAERP CCOC(=O)C1([C@@H](C)[NH2+]CC[C@H]2CCOC2)CC[NH2+]CC1 ZINC000423031133 392287308 /nfs/dbraw/zinc/28/73/08/392287308.db2.gz KOIMBKOCOAZJMP-KGLIPLIRSA-N 2 0 298.427 1.324 10 0 CDAERP CC(C)[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1cccnc1 ZINC000423184187 392423468 /nfs/dbraw/zinc/42/34/68/392423468.db2.gz LVLUKQHPNLXWKH-INIZCTEOSA-N 2 0 276.428 1.664 10 0 CDAERP CC[C@@H]([NH2+]CCC[NH3+])c1ccc(C(=O)OC)cc1 ZINC000423189583 392428844 /nfs/dbraw/zinc/42/88/44/392428844.db2.gz MXBSYKRXUDHGLA-CYBMUJFWSA-N 2 0 250.342 1.863 10 0 CDAERP [NH3+][C@@H]1CCC[C@H](NCCC[NH2+]Cc2cccnc2)C1 ZINC000573862551 392452830 /nfs/dbraw/zinc/45/28/30/392452830.db2.gz OWPHUHNFKONRQT-CABCVRRESA-N 2 0 262.401 1.421 10 0 CDAERP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000646481483 392485361 /nfs/dbraw/zinc/48/53/61/392485361.db2.gz NXSFGMCUXUUUEL-RFQIPJPRSA-N 2 0 267.417 1.268 10 0 CDAERP CCSCC[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000438173029 392542917 /nfs/dbraw/zinc/54/29/17/392542917.db2.gz CYZAZZWMXMFESY-CYBMUJFWSA-N 2 0 260.447 1.566 10 0 CDAERP CC(C)[NH2+]CCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000517019736 392814969 /nfs/dbraw/zinc/81/49/69/392814969.db2.gz JWYIAPKCNNMOEU-IHRRRGAJSA-N 2 0 267.417 1.411 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)[C@@H]1C ZINC000495081327 393174532 /nfs/dbraw/zinc/17/45/32/393174532.db2.gz SWEOHNRBUALDFX-DEDQRHPVSA-N 2 0 266.429 1.998 10 0 CDAERP C[C@@H]1CN(CCC[NH2+][C@H]2CCC(=O)NC2(C)C)C[C@H](C)O1 ZINC000494894919 393124709 /nfs/dbraw/zinc/12/47/09/393124709.db2.gz ZNGDUAUZXSYNKK-MJBXVCDLSA-N 2 0 297.443 1.133 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCC[NH+]2C)C1 ZINC000522406279 393214201 /nfs/dbraw/zinc/21/42/01/393214201.db2.gz CXYRBHDUDBCEOG-KGLIPLIRSA-N 2 0 282.432 1.110 10 0 CDAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H](O)[C@@H]2C)CC1 ZINC000451465674 393290219 /nfs/dbraw/zinc/29/02/19/393290219.db2.gz XECPMKAPFIBYGI-HOTGVXAUSA-N 2 0 283.460 1.248 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CCC[NH+](C)C2)CC[N@@H+]1C ZINC000548747865 393363819 /nfs/dbraw/zinc/36/38/19/393363819.db2.gz NINWWQRPBXXHFC-MELADBBJSA-N 2 0 267.417 1.269 10 0 CDAERP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2COC3(CCC3)C2)CC1 ZINC000657873475 413065971 /nfs/dbraw/zinc/06/59/71/413065971.db2.gz UBPUGMODNWIVSL-HNNXBMFYSA-N 2 0 281.444 1.315 10 0 CDAERP Cc1nccn1CCCC[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185962945 140051076 /nfs/dbraw/zinc/05/10/76/140051076.db2.gz SRSAWGCWXCQLHS-HNNXBMFYSA-N 2 0 278.400 1.702 10 0 CDAERP CCC[NH+](CCC)CCCNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188736976 140099892 /nfs/dbraw/zinc/09/98/92/140099892.db2.gz DDMAYDQYRVGVNQ-QWHCGFSZSA-N 2 0 273.396 1.315 10 0 CDAERP CC(C)[NH+](CCNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)C(C)C ZINC000232642124 140222817 /nfs/dbraw/zinc/22/28/17/140222817.db2.gz DBKDDZSYUBWSBP-KBPBESRZSA-N 2 0 269.433 1.610 10 0 CDAERP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(C[NH3+])cc2)C1 ZINC000237323450 140253007 /nfs/dbraw/zinc/25/30/07/140253007.db2.gz DLEPQAQYIXVFMY-RISCZKNCSA-N 2 0 261.369 1.345 10 0 CDAERP C[C@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)[C@H]([NH3+])c1ccccc1 ZINC000251017737 140307133 /nfs/dbraw/zinc/30/71/33/140307133.db2.gz BZDVMRYHTYCCPH-CFVMTHIKSA-N 2 0 275.396 1.485 10 0 CDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000261546630 140344915 /nfs/dbraw/zinc/34/49/15/140344915.db2.gz LCFGSYWXSSNMKD-ZBFHGGJFSA-N 2 0 289.423 1.623 10 0 CDAERP CN(Cc1ccc2c(c1)OCO2)C[C@@]1(C)CC[NH2+]C1 ZINC000261744124 140384088 /nfs/dbraw/zinc/38/40/88/140384088.db2.gz ITECMZIYGFEWDD-HNNXBMFYSA-N 2 0 262.353 1.847 10 0 CDAERP C[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)CC1 ZINC000261843125 140398404 /nfs/dbraw/zinc/39/84/04/140398404.db2.gz ANKRJUNUEJPRHQ-BBWFWOEESA-N 2 0 295.471 1.465 10 0 CDAERP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000662566191 413133736 /nfs/dbraw/zinc/13/37/36/413133736.db2.gz TUIQDFYQYWWCSH-VBQJREDUSA-N 2 0 299.418 1.679 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cccc3c2C[NH2+]C3)C1 ZINC000662583767 413150625 /nfs/dbraw/zinc/15/06/25/413150625.db2.gz JNHJNZXFZJNEOL-BJHJDKERSA-N 2 0 273.380 1.360 10 0 CDAERP Cn1cnc(CCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000647801610 397607771 /nfs/dbraw/zinc/60/77/71/397607771.db2.gz ZCDCJSDDHTXEIG-RRFJBIMHSA-N 2 0 291.443 1.648 10 0 CDAERP CO[C@H](C[NH2+]C1CC[NH+](C(C)C)CC1)[C@@H]1CCOC1 ZINC000658074526 413174455 /nfs/dbraw/zinc/17/44/55/413174455.db2.gz TWJCEKSWEAVAMX-UKRRQHHQSA-N 2 0 270.417 1.500 10 0 CDAERP CC[C@@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)C1CCCC1 ZINC000584108872 397849161 /nfs/dbraw/zinc/84/91/61/397849161.db2.gz XWRJREKYEIRBTQ-HZPDHXFCSA-N 2 0 283.460 1.153 10 0 CDAERP CC1(C)C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)CCO1 ZINC000389273501 397855867 /nfs/dbraw/zinc/85/58/67/397855867.db2.gz IKGOKLNGECGBMU-ZIAGYGMSSA-N 2 0 270.417 1.380 10 0 CDAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@H]1C[C@@H]1C1CCCC1 ZINC000651263729 397897764 /nfs/dbraw/zinc/89/77/64/397897764.db2.gz DYOXJULRXWXXLK-CVEARBPZSA-N 2 0 295.471 1.765 10 0 CDAERP CC(=O)c1nc(NCCN(C)CCC[NH+](C)C)sc1C ZINC000664244828 413177758 /nfs/dbraw/zinc/17/77/58/413177758.db2.gz KZCOXRJOUOURRN-UHFFFAOYSA-N 2 0 298.456 1.950 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CC2=CCCOC2)[C@H](C)C1 ZINC000093639552 147059858 /nfs/dbraw/zinc/05/98/58/147059858.db2.gz HBTRXSDNQLJHOK-HIFRSBDPSA-N 2 0 252.402 1.995 10 0 CDAERP Cc1cc(C[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C)on1 ZINC001663995230 1172799030 /nfs/dbraw/zinc/79/90/30/1172799030.db2.gz AIPCEZZKMPZVAJ-AWEZNQCLSA-N 2 0 296.415 1.117 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1ccn(C)n1 ZINC000658107692 413207552 /nfs/dbraw/zinc/20/75/52/413207552.db2.gz NFWIFGYJEFIHNS-KBPBESRZSA-N 2 0 281.448 1.343 10 0 CDAERP CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000658112625 413209667 /nfs/dbraw/zinc/20/96/67/413209667.db2.gz CCZQAKMFTWNOJQ-QMCVQRASSA-N 2 0 298.471 1.872 10 0 CDAERP CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662622318 413210190 /nfs/dbraw/zinc/21/01/90/413210190.db2.gz QKSOAVLUHBJVIG-QJPTWQEYSA-N 2 0 255.406 1.349 10 0 CDAERP C[C@@H](CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)C1CC[NH2+]CC1 ZINC000178784280 148087905 /nfs/dbraw/zinc/08/79/05/148087905.db2.gz QUTJQMJWFPJGBJ-DZGCQCFKSA-N 2 0 279.428 1.319 10 0 CDAERP CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658135613 413226247 /nfs/dbraw/zinc/22/62/47/413226247.db2.gz ABBSYBTYPPIEBE-CPUCHLNUSA-N 2 0 292.423 1.766 10 0 CDAERP Cn1ccnc1[C@H]1CCC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262016467 149001913 /nfs/dbraw/zinc/00/19/13/149001913.db2.gz MTEKXGAHYQEVRC-ZFWWWQNUSA-N 2 0 262.401 1.599 10 0 CDAERP CCC[C@@](C)([NH3+])C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000262173973 149028895 /nfs/dbraw/zinc/02/88/95/149028895.db2.gz XTOXUENMNTWOMA-XJKSGUPXSA-N 2 0 297.443 1.216 10 0 CDAERP c1ccc(C[N@H+]2CCC[C@H]2CNC2=[NH+]CCCN2)cc1 ZINC000262206713 149035046 /nfs/dbraw/zinc/03/50/46/149035046.db2.gz JDNUVUWRRVVPHX-HNNXBMFYSA-N 2 0 272.396 1.590 10 0 CDAERP C[C@@H](C(=O)N(CC[NH+](C)C)c1ccccc1)C1C[NH2+]C1 ZINC000262401266 149058312 /nfs/dbraw/zinc/05/83/12/149058312.db2.gz PPGYTARWEVPBHM-CYBMUJFWSA-N 2 0 275.396 1.437 10 0 CDAERP CC(C)n1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC000311735508 149218224 /nfs/dbraw/zinc/21/82/24/149218224.db2.gz RVJKXVXVUBDXSY-OKILXGFUSA-N 2 0 262.401 1.895 10 0 CDAERP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)NC1CCCCC1 ZINC000334997211 150165346 /nfs/dbraw/zinc/16/53/46/150165346.db2.gz BENYNSHWQKPQCE-OKILXGFUSA-N 2 0 279.428 1.367 10 0 CDAERP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CC[NH+]2CCC1CC2 ZINC000335039607 150215330 /nfs/dbraw/zinc/21/53/30/150215330.db2.gz UPMMCYWSOBJNAA-HIFRSBDPSA-N 2 0 265.401 1.201 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[NH+]2CCC1CC2 ZINC000336054712 151230865 /nfs/dbraw/zinc/23/08/65/151230865.db2.gz KFEXTGPKVMKYAB-BETUJISGSA-N 2 0 265.401 1.166 10 0 CDAERP C[C@@H]1C[N@H+](C)C[C@H]1NCCC[NH+]1CCc2ccccc2C1 ZINC000343192642 152063508 /nfs/dbraw/zinc/06/35/08/152063508.db2.gz NRBLDFRBEUPONY-CRAIPNDOSA-N 2 0 287.451 1.975 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCO[C@@H]2CC2(F)F)[C@H]2CCC[C@@H]21 ZINC000658169382 413260991 /nfs/dbraw/zinc/26/09/91/413260991.db2.gz DMMKZCVVJCAOLB-MROQNXINSA-N 2 0 274.355 1.873 10 0 CDAERP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@@H](O)C(C)(C)C)C1 ZINC000343753560 152291021 /nfs/dbraw/zinc/29/10/21/152291021.db2.gz IBYSPSQZMQGTAY-LSDHHAIUSA-N 2 0 286.460 1.826 10 0 CDAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCCC[NH+](C)C ZINC000346141753 153068889 /nfs/dbraw/zinc/06/88/89/153068889.db2.gz ZQTRDEBHNQQTIZ-STQMWFEESA-N 2 0 255.406 1.317 10 0 CDAERP CC[NH2+]Cc1cn([C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000656456321 413282893 /nfs/dbraw/zinc/28/28/93/413282893.db2.gz YURJPJFBAPMLJL-MRXNPFEDSA-N 2 0 285.395 1.835 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1CCC ZINC000350044040 154312115 /nfs/dbraw/zinc/31/21/15/154312115.db2.gz XZAUMRLUNMUIAA-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP [NH3+]CC12CC(C1)CN2C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000662679628 413298792 /nfs/dbraw/zinc/29/87/92/413298792.db2.gz AHMSAXHKRYWUCY-UGWHAMFMSA-N 2 0 273.380 1.416 10 0 CDAERP [NH3+][C@H](CC(F)F)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000662685690 413311516 /nfs/dbraw/zinc/31/15/16/413311516.db2.gz GMKWMNXKZYGUIK-NEPJUHHUSA-N 2 0 299.321 1.269 10 0 CDAERP [NH3+]C1(CC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CC1 ZINC000662687482 413314311 /nfs/dbraw/zinc/31/43/11/413314311.db2.gz DADXEWJZVSPOOF-ZDUSSCGKSA-N 2 0 265.401 1.345 10 0 CDAERP c1c(C[NH2+]C2CCCCC2)nnn1[C@@H]1CCC[NH2+]C1 ZINC000656467421 413323797 /nfs/dbraw/zinc/32/37/97/413323797.db2.gz BEODHUMHRGXVCY-CQSZACIVSA-N 2 0 263.389 1.625 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCN1CC=CCC1 ZINC000355477163 157072628 /nfs/dbraw/zinc/07/26/28/157072628.db2.gz VALCKQPFSXXATE-UHFFFAOYSA-N 2 0 297.406 1.927 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000362902703 159265457 /nfs/dbraw/zinc/26/54/57/159265457.db2.gz ZEJBZEFDJCJFJO-DOMZBBRYSA-N 2 0 279.428 1.317 10 0 CDAERP C[NH+](C)CC[C@@H](NC(=O)CC1([NH3+])CC1)C(C)(C)C ZINC000662735832 413407336 /nfs/dbraw/zinc/40/73/36/413407336.db2.gz YEMHKRJZABDLFT-LLVKDONJSA-N 2 0 255.406 1.350 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[NH2+]C2)C[C@H]1C ZINC000662743852 413415468 /nfs/dbraw/zinc/41/54/68/413415468.db2.gz WCOKWKDJYYKPOF-MGPQQGTHSA-N 2 0 267.417 1.317 10 0 CDAERP CN(C(=O)C1([NH2+]C2CC2)CCC1)C1CC[NH+](C)CC1 ZINC000662765404 413460718 /nfs/dbraw/zinc/46/07/18/413460718.db2.gz GAZBNLGFCUYKAI-UHFFFAOYSA-N 2 0 265.401 1.214 10 0 CDAERP C[C@@H](NCC[N@H+]1[C@H](C)CCC[C@@H]1C)[C@H]1CCC[NH2+]1 ZINC000422890480 287029222 /nfs/dbraw/zinc/02/92/22/287029222.db2.gz SKMQVGNANLWLPK-LXTVHRRPSA-N 2 0 253.434 1.979 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000653214233 412141614 /nfs/dbraw/zinc/14/16/14/412141614.db2.gz MJQAOQDTPULCGP-ZDUSSCGKSA-N 2 0 297.349 1.267 10 0 CDAERP C[NH+](C)CC(C)(C)NC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000656614345 413497184 /nfs/dbraw/zinc/49/71/84/413497184.db2.gz YFROEJNOGLNCIF-INIZCTEOSA-N 2 0 293.455 1.409 10 0 CDAERP O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)[C@@H]1CCC[NH2+]C1 ZINC000662835281 413572645 /nfs/dbraw/zinc/57/26/45/413572645.db2.gz LVGUWTMLNWJJJP-HZSPNIEDSA-N 2 0 265.401 1.119 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000220014467 413638128 /nfs/dbraw/zinc/63/81/28/413638128.db2.gz RFKYSANXEHADRM-ZDUSSCGKSA-N 2 0 255.406 1.224 10 0 CDAERP C[C@H](CCNC(=O)[C@H]1[NH2+]CCCC1(C)C)[NH+](C)C ZINC000662858841 413619985 /nfs/dbraw/zinc/61/99/85/413619985.db2.gz INQLAZLFYBRFCD-VXGBXAGGSA-N 2 0 255.406 1.221 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000654757947 413687362 /nfs/dbraw/zinc/68/73/62/413687362.db2.gz NGDFILHIKJDPMM-HUUCEWRRSA-N 2 0 279.428 1.415 10 0 CDAERP CC[N@H+](C)C[C@H](O)CN1Cc2cnn(C)c2CC(C)(C)C1 ZINC000664881802 413710325 /nfs/dbraw/zinc/71/03/25/413710325.db2.gz ZXCVVALQECTJFP-AWEZNQCLSA-N 2 0 294.443 1.117 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)c1cccc2c1CC[NH2+]C2 ZINC000662926295 413712073 /nfs/dbraw/zinc/71/20/73/413712073.db2.gz QIFZYUCGRDZLIQ-OAHLLOKOSA-N 2 0 275.396 1.436 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000659452701 413839897 /nfs/dbraw/zinc/83/98/97/413839897.db2.gz OILXCZGCAVVLNL-QLFBSQMISA-N 2 0 298.475 1.922 10 0 CDAERP CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]CCN2CCCCC2)C1 ZINC000661215556 413896138 /nfs/dbraw/zinc/89/61/38/413896138.db2.gz NRFWLAPAHVIJQI-XHSDSOJGSA-N 2 0 284.444 1.628 10 0 CDAERP CCN(C(=O)NCc1cc(C)nc(C)c1)[C@H]1CC[N@H+](C)C1 ZINC000665164866 413911682 /nfs/dbraw/zinc/91/16/82/413911682.db2.gz RKVCHPCEMDBWNE-HNNXBMFYSA-N 2 0 290.411 1.934 10 0 CDAERP CC1(C)[C@H]([NH2+]CC23CC(C2)C[NH2+]3)[C@H]2CCCO[C@H]21 ZINC000665279088 414016848 /nfs/dbraw/zinc/01/68/48/414016848.db2.gz WLHPETWBDHIYSL-YGFYLSKRSA-N 2 0 250.386 1.532 10 0 CDAERP COC[C@@H]([NH2+]CC[C@@H]([NH3+])C(C)C)C1CCOCC1 ZINC000665282046 414018725 /nfs/dbraw/zinc/01/87/25/414018725.db2.gz PNTSQXHDYUFPHQ-ZIAGYGMSSA-N 2 0 258.406 1.391 10 0 CDAERP CC(=O)NCc1ccc(C[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000665234818 413961751 /nfs/dbraw/zinc/96/17/51/413961751.db2.gz KMPZCFKSWGEIPV-NSHDSACASA-N 2 0 261.369 1.020 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CC[C@]1(C)CC1(F)F ZINC000665266842 413986855 /nfs/dbraw/zinc/98/68/55/413986855.db2.gz KQWZWSSAIXLCFS-WDEREUQCSA-N 2 0 250.333 1.765 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1c(C2CCC2)cnn1C ZINC000665273609 414003845 /nfs/dbraw/zinc/00/38/45/414003845.db2.gz AEDSDHFJMLRGKA-CQDKDKBSSA-N 2 0 292.427 1.530 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2C[C@@H](C)[C@@H]2C)CC1 ZINC000665288982 414025811 /nfs/dbraw/zinc/02/58/11/414025811.db2.gz CGYUDZXBJMSPSM-VNHYZAJKSA-N 2 0 281.444 1.611 10 0 CDAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)NCC[C@@H]([NH3+])C(C)C)C1 ZINC000659621436 414033033 /nfs/dbraw/zinc/03/30/33/414033033.db2.gz FAOZVBDGQQPKAU-UONOGXRCSA-N 2 0 284.448 1.343 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[C@@H]([NH3+])C(C)C)[C@@H](C)C1 ZINC000659622260 414033072 /nfs/dbraw/zinc/03/30/72/414033072.db2.gz PMUCEXZUIGMBFZ-ZNMIVQPWSA-N 2 0 298.475 1.732 10 0 CDAERP CC(C)=CC[NH+]1CCC(NCCC[NH+](C)C)CC1 ZINC000037213697 173034363 /nfs/dbraw/zinc/03/43/63/173034363.db2.gz QPAPEGWZCPXPSF-UHFFFAOYSA-N 2 0 253.434 1.958 10 0 CDAERP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000661410087 414067873 /nfs/dbraw/zinc/06/78/73/414067873.db2.gz QMMWAPBBZIVFKZ-KBPBESRZSA-N 2 0 296.459 1.595 10 0 CDAERP c1nn2c(c1C[NH2+]CCCC[NH+]1CCOCC1)CCC2 ZINC000657314178 414152851 /nfs/dbraw/zinc/15/28/51/414152851.db2.gz XINYVZMPGKCZAX-UHFFFAOYSA-N 2 0 278.400 1.031 10 0 CDAERP O[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657373224 414238317 /nfs/dbraw/zinc/23/83/17/414238317.db2.gz QEGXMCIOAZYDPJ-CJNGLKHVSA-N 2 0 286.379 1.908 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655803293 414195973 /nfs/dbraw/zinc/19/59/73/414195973.db2.gz XQLADPAKJNSODJ-UUAJXVIYSA-N 2 0 295.471 1.701 10 0 CDAERP CC[C@H](C)[C@H](O)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657359306 414215830 /nfs/dbraw/zinc/21/58/30/414215830.db2.gz LLWGMMCVEFUJII-SWLSCSKDSA-N 2 0 274.368 1.764 10 0 CDAERP CN(Cc1nc2c(s1)C[NH2+]CC2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000663493341 414288591 /nfs/dbraw/zinc/28/85/91/414288591.db2.gz AMXNAKRRNYWYIU-FOSCPWQOSA-N 2 0 292.452 1.504 10 0 CDAERP [NH3+]CC[C@H]1CCC[N@H+](Cc2nc3c(s2)C[NH2+]CC3)C1 ZINC000663494742 414292720 /nfs/dbraw/zinc/29/27/20/414292720.db2.gz RBALQMZLMTYMMG-LLVKDONJSA-N 3 0 280.441 1.350 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+]Cc1nc2c(s1)C[NH2+]CC2 ZINC000663496032 414293022 /nfs/dbraw/zinc/29/30/22/414293022.db2.gz CJHFKPFFXGEVCL-JTQLQIEISA-N 3 0 268.430 1.396 10 0 CDAERP CC[C@H]1CN(Cc2nc3c(s2)C[NH2+]CC3)CC[C@H]1[NH3+] ZINC000663496569 414294708 /nfs/dbraw/zinc/29/47/08/414294708.db2.gz WFODEBBTBIQBOW-WDEREUQCSA-N 2 0 280.441 1.348 10 0 CDAERP CC[C@@H](CN1CCOC2(C[NH2+]C2)C1)c1ccccc1 ZINC000663512790 414317220 /nfs/dbraw/zinc/31/72/20/414317220.db2.gz NRFUHQKEBUOOOF-AWEZNQCLSA-N 2 0 260.381 1.854 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+]C[C@H]2CCSC2)CC1 ZINC000663506877 414309649 /nfs/dbraw/zinc/30/96/49/414309649.db2.gz WSSNALAFWHPXGO-CYBMUJFWSA-N 2 0 299.484 1.320 10 0 CDAERP COCc1csc(C[NH2+]CCc2cn(C)cn2)c1 ZINC000657487824 414385099 /nfs/dbraw/zinc/38/50/99/414385099.db2.gz CBBWUYOKASWKHW-UHFFFAOYSA-N 2 0 265.382 1.960 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+]Cc1cnn2c1CCC2 ZINC000657433659 414319272 /nfs/dbraw/zinc/31/92/72/414319272.db2.gz YGBWWRWGAKNPOQ-UHFFFAOYSA-N 2 0 280.416 1.277 10 0 CDAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC3(COC3)C2)CC1 ZINC000662071739 414497095 /nfs/dbraw/zinc/49/70/95/414497095.db2.gz AVXUSGJIIWIXMT-UHFFFAOYSA-N 2 0 281.444 1.125 10 0 CDAERP O=C(NC1CC1)[C@H]1CCC[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662251555 414585186 /nfs/dbraw/zinc/58/51/86/414585186.db2.gz GXVUITZVNCOIRJ-QGZVFWFLSA-N 2 0 299.418 1.575 10 0 CDAERP c1cc2c(cc1C[N@@H+]1CC[C@@H]3COC[C@H]3C1)C[NH2+]CC2 ZINC000662316239 414634920 /nfs/dbraw/zinc/63/49/20/414634920.db2.gz JJZWNDOBMVZHFZ-NVXWUHKLSA-N 2 0 272.392 1.801 10 0 CDAERP COC[C@@H](C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+])OC ZINC000662311712 414631542 /nfs/dbraw/zinc/63/15/42/414631542.db2.gz CNLXCMJKAKFMDG-MGPQQGTHSA-N 2 0 258.406 1.487 10 0 CDAERP Cc1cccc(C[N@@H+]2CCC[C@@H]2C(=O)N2CC[NH2+]CC2)c1 ZINC000040508050 174302533 /nfs/dbraw/zinc/30/25/33/174302533.db2.gz DYEANVHOACIGBA-MRXNPFEDSA-N 2 0 287.407 1.391 10 0 CDAERP C[C@@H](C1CCCCC1)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508179 174303528 /nfs/dbraw/zinc/30/35/28/174303528.db2.gz YNWJWVDQOIZBGL-GOEBONIOSA-N 2 0 293.455 1.851 10 0 CDAERP C[NH2+]C[C@@H]1CCCN(CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000040601002 174350957 /nfs/dbraw/zinc/35/09/57/174350957.db2.gz QCBGAQHYYWQKBQ-GJZGRUSLSA-N 2 0 253.434 1.792 10 0 CDAERP CC[C@H](C)[C@@H]([NH3+])C(=O)NCC[NH+]1CCCCCC1 ZINC000040768266 174398686 /nfs/dbraw/zinc/39/86/86/174398686.db2.gz AHPJPJXNWVUHKB-QWHCGFSZSA-N 2 0 255.406 1.352 10 0 CDAERP CC(C)C[N@H+](CCCn1ccnc1)CCC(N)=[NH2+] ZINC000043423003 175039457 /nfs/dbraw/zinc/03/94/57/175039457.db2.gz BEMALMKYRMAUAG-UHFFFAOYSA-N 2 0 251.378 1.557 10 0 CDAERP CCC[NH+]1CCC(C[NH3+])(N2CCO[C@@H]3CCC[C@@H]32)CC1 ZINC000043424648 175040055 /nfs/dbraw/zinc/04/00/55/175040055.db2.gz QRVXYDHDLHXYID-LSDHHAIUSA-N 2 0 281.444 1.443 10 0 CDAERP CC(C)[NH+]1CCC(C[NH3+])(N2CCO[C@@H]3CCC[C@@H]32)CC1 ZINC000043424628 175040322 /nfs/dbraw/zinc/04/03/22/175040322.db2.gz BIGPSKLEMDLRFX-LSDHHAIUSA-N 2 0 281.444 1.441 10 0 CDAERP c1cc(OCC[NH+]2CCCC2)cc(N2CCC[NH2+]CC2)c1 ZINC000043461626 175051961 /nfs/dbraw/zinc/05/19/61/175051961.db2.gz ARFSXWNAMQWPQQ-UHFFFAOYSA-N 2 0 289.423 1.961 10 0 CDAERP CC[NH2+]CCCNC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000043559859 175065394 /nfs/dbraw/zinc/06/53/94/175065394.db2.gz SOIKGGJYMBJOOQ-AVGNSLFASA-N 2 0 255.406 1.364 10 0 CDAERP CC(C)[NH+]1CCN(C[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000043596084 175076961 /nfs/dbraw/zinc/07/69/61/175076961.db2.gz DCXFDQOGJDDXTA-KRWDZBQOSA-N 2 0 273.424 1.899 10 0 CDAERP O=C(Nc1cccc(C[NH+]2CCCC2)c1)[C@@H]1C[NH2+]CCO1 ZINC000043708667 175101646 /nfs/dbraw/zinc/10/16/46/175101646.db2.gz BFSCRLRQBDJYAY-HNNXBMFYSA-N 2 0 289.379 1.209 10 0 CDAERP CC[NH2+][C@H]1CCCCC[C@H]1N1CC[NH+](CC)CC1 ZINC000043805989 175108081 /nfs/dbraw/zinc/10/80/81/175108081.db2.gz QRMYPFHYJZVJQA-LSDHHAIUSA-N 2 0 253.434 1.935 10 0 CDAERP C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccc(C)c(C)c1 ZINC000043810576 175109819 /nfs/dbraw/zinc/10/98/19/175109819.db2.gz OHXHYCSKBJEYLB-INIZCTEOSA-N 2 0 261.413 1.811 10 0 CDAERP C[NH2+][C@@H]1CCCCC[C@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815189 175111481 /nfs/dbraw/zinc/11/14/81/175111481.db2.gz YXIZLKIQQNGYKN-HUUCEWRRSA-N 2 0 253.434 1.933 10 0 CDAERP C[NH2+][C@@H](CN(C)C1CC[NH+](C)CC1)c1ccccc1OC ZINC000043815195 175111786 /nfs/dbraw/zinc/11/17/86/175111786.db2.gz XSLAKYLKIZOEIT-INIZCTEOSA-N 2 0 291.439 1.982 10 0 CDAERP C[NH2+][C@H]1CCCCC[C@@H]1N1CC[NH+](CC2CC2)CC1 ZINC000043967841 175129292 /nfs/dbraw/zinc/12/92/92/175129292.db2.gz FRTGXUXFMVFCTQ-HOTGVXAUSA-N 2 0 265.445 1.935 10 0 CDAERP C[C@@H](C[NH3+])CN1CCC[N@H+](CCOc2ccccc2)CC1 ZINC000044421457 175174385 /nfs/dbraw/zinc/17/43/85/175174385.db2.gz VQGSLSOPJZCUDU-INIZCTEOSA-N 2 0 291.439 1.668 10 0 CDAERP CC[NH+]1CCC(C[NH2+]CC(=O)N2CCCCCC2)CC1 ZINC000044518710 175190874 /nfs/dbraw/zinc/19/08/74/175190874.db2.gz BUDJPIGANUQJTF-UHFFFAOYSA-N 2 0 281.444 1.711 10 0 CDAERP C[C@@H]1C[NH2+][C@H](C)CC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000044526822 175191788 /nfs/dbraw/zinc/19/17/88/175191788.db2.gz IJULYISAWILBKN-ZIAGYGMSSA-N 3 0 253.434 1.648 10 0 CDAERP CCC[NH2+]CC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000044650827 175225079 /nfs/dbraw/zinc/22/50/79/175225079.db2.gz HUMRZVDYEWSZOY-UHFFFAOYSA-N 2 0 253.390 1.073 10 0 CDAERP [NH3+][C@@H](CCN[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000044679500 175228265 /nfs/dbraw/zinc/22/82/65/175228265.db2.gz RLPYVBYBWWWWHW-ZBFHGGJFSA-N 2 0 259.397 1.903 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)C2(C[NH3+])CCCCC2)CC1 ZINC000044764202 175248097 /nfs/dbraw/zinc/24/80/97/175248097.db2.gz SPDKRCFNXQJKRG-UHFFFAOYSA-N 2 0 281.444 1.838 10 0 CDAERP C[C@@]1([NH2+]CCCCCCC[NH3+])CCS(=O)(=O)C1 ZINC000044933735 175280491 /nfs/dbraw/zinc/28/04/91/175280491.db2.gz IEFIONOLWPEZTH-GFCCVEGCSA-N 2 0 262.419 1.062 10 0 CDAERP CC[NH2+][C@@](C)(CCCC[N@H+](C)C1CCCC1)C(N)=O ZINC000045384705 175372025 /nfs/dbraw/zinc/37/20/25/175372025.db2.gz QNOZYHHQIHQRPV-HNNXBMFYSA-N 2 0 269.433 1.885 10 0 CDAERP CC(C)[NH2+][C@H]1CCCN([C@H]2CCC[N@H+](C)C2)C1=O ZINC000071031102 176022477 /nfs/dbraw/zinc/02/24/77/176022477.db2.gz GRWBORNJVCCQNC-STQMWFEESA-N 2 0 253.390 1.070 10 0 CDAERP CC[NH2+][C@H]1CCCN(C[C@H]2CCC[N@@H+]2CC)C1=O ZINC000071032792 176023569 /nfs/dbraw/zinc/02/35/69/176023569.db2.gz RYIRYHCQKHOCGF-OLZOCXBDSA-N 2 0 253.390 1.071 10 0 CDAERP CC[NH2+][C@H]1CCCN([C@H]2CCC[N@H+](CC)C2)C1=O ZINC000071033630 176024167 /nfs/dbraw/zinc/02/41/67/176024167.db2.gz OSITYHSGXFJLFC-STQMWFEESA-N 2 0 253.390 1.071 10 0 CDAERP CC[NH2+][C@@H]1CCN([C@@H](C)C[NH+]2CCCCC2)C1=O ZINC000071037374 176025747 /nfs/dbraw/zinc/02/57/47/176025747.db2.gz MVOJYDNEKUGEPG-QWHCGFSZSA-N 2 0 253.390 1.071 10 0 CDAERP C[C@H](c1ccc(O)cc1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071148504 176043973 /nfs/dbraw/zinc/04/39/73/176043973.db2.gz XWPVIECUVRQLRG-CYBMUJFWSA-N 2 0 263.385 1.290 10 0 CDAERP COc1ccc([C@@H]([C@H](C)[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000071187870 176062169 /nfs/dbraw/zinc/06/21/69/176062169.db2.gz GMCRDEAOHNWVRQ-JJRVBVJISA-N 2 0 291.439 1.967 10 0 CDAERP C[NH2+][C@H](CN(C)C[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000071188689 176063386 /nfs/dbraw/zinc/06/33/86/176063386.db2.gz WMFQGVNPMBWCFE-GDBMZVCRSA-N 2 0 261.413 1.831 10 0 CDAERP C[NH2+]Cc1cc(CN(C)C[C@H]2CC[N@H+](C)C2)oc1C ZINC000071191943 176071640 /nfs/dbraw/zinc/07/16/40/176071640.db2.gz FMWLAWKOMQIRGI-ZDUSSCGKSA-N 2 0 265.401 1.691 10 0 CDAERP CN(CC[NH2+]C1CCCCC1)C[C@H]1CC[N@H+](C)C1 ZINC000071192272 176074017 /nfs/dbraw/zinc/07/40/17/176074017.db2.gz ULPGZWVGDIKYPY-AWEZNQCLSA-N 2 0 253.434 1.792 10 0 CDAERP Cc1nc(N(C)C[C@@H]2CC[N@H+](C)C2)sc1C[NH3+] ZINC000071192591 176074519 /nfs/dbraw/zinc/07/45/19/176074519.db2.gz APPCFZWRVIIWAT-SNVBAGLBSA-N 2 0 254.403 1.298 10 0 CDAERP CCn1c(C[NH3+])nnc1SCC[C@H]1CCCC[N@@H+]1C ZINC000071374947 176140416 /nfs/dbraw/zinc/14/04/16/176140416.db2.gz OHBRMUXWWXLYHO-LLVKDONJSA-N 2 0 283.445 1.723 10 0 CDAERP C[NH+](C)[C@@H]1CCN(C(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000071401541 176153825 /nfs/dbraw/zinc/15/38/25/176153825.db2.gz NIFVDVJCAVGPKO-HUUCEWRRSA-N 2 0 275.396 1.629 10 0 CDAERP CCCC[NH2+]C[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001666646408 1173167145 /nfs/dbraw/zinc/16/71/45/1173167145.db2.gz MTZHFPAPRUFFST-ZDUSSCGKSA-N 2 0 267.417 1.224 10 0 CDAERP CCn1cc(CNCCC[N@H+](C)CC(C)C)cn1 ZINC000651866208 423829990 /nfs/dbraw/zinc/82/99/90/423829990.db2.gz YYLIKJOCGAKPAH-UHFFFAOYSA-N 2 0 252.406 1.971 10 0 CDAERP C[C@H](C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000655246291 424072478 /nfs/dbraw/zinc/07/24/78/424072478.db2.gz GKVXGSNKKHHRKZ-KHMAMNHCSA-N 2 0 281.444 1.704 10 0 CDAERP CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[NH+]1CCCCC1 ZINC000655246529 424081215 /nfs/dbraw/zinc/08/12/15/424081215.db2.gz KOIPUKMEMXJIKR-XHSDSOJGSA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@H]([NH2+]C)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000662399012 424039836 /nfs/dbraw/zinc/03/98/36/424039836.db2.gz YDIQDZMEBQSIIW-GJZGRUSLSA-N 2 0 277.412 1.274 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000652208719 424040999 /nfs/dbraw/zinc/04/09/99/424040999.db2.gz NIEARKWIWNUYON-OAHLLOKOSA-N 2 0 292.427 1.579 10 0 CDAERP CN(CC[NH+]1CCCCC1)C(=O)COC1CCC([NH3+])CC1 ZINC000653274708 424226632 /nfs/dbraw/zinc/22/66/32/424226632.db2.gz MWOXPAKFBZDOIN-UHFFFAOYSA-N 2 0 297.443 1.217 10 0 CDAERP CCO[C@@H]1C[N@H+](CCO[C@H]2CCCC[C@H]2C)C[C@H]1C[NH3+] ZINC000652357521 424308320 /nfs/dbraw/zinc/30/83/20/424308320.db2.gz VDJWXRHJTIUPGL-LVQVYYBASA-N 2 0 284.444 1.877 10 0 CDAERP C[NH+](C)[C@@H]1CCCN(C(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662712210 424362471 /nfs/dbraw/zinc/36/24/71/424362471.db2.gz QQRQJLLZRRJMIG-CYBMUJFWSA-N 2 0 265.401 1.214 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cc(C(C)(C)[NH3+])no2)C1 ZINC000662854701 424530381 /nfs/dbraw/zinc/53/03/81/424530381.db2.gz UEWGVYBKXOEPHV-SNVBAGLBSA-N 2 0 294.399 1.471 10 0 CDAERP C[C@H]([NH2+]CCCF)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001667351616 1173257524 /nfs/dbraw/zinc/25/75/24/1173257524.db2.gz FZFSASJFEGVLOF-LSDHHAIUSA-N 2 0 299.434 1.659 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC)C(C)C ZINC001667465158 1173272690 /nfs/dbraw/zinc/27/26/90/1173272690.db2.gz ULAOOWPYNVUOSW-ZIAGYGMSSA-N 2 0 269.433 1.611 10 0 CDAERP Cc1cnn(CC[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1 ZINC000397250214 270348301 /nfs/dbraw/zinc/34/83/01/270348301.db2.gz CFXRARSWBHKOCI-RDBSUJKOSA-N 2 0 250.390 1.497 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+]2C2CCCCC2)C1 ZINC000529715096 271019452 /nfs/dbraw/zinc/01/94/52/271019452.db2.gz ANXVKXZVLYYXNU-GDBMZVCRSA-N 2 0 293.455 1.851 10 0 CDAERP CCC[C@@H](C)C[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530242701 271178355 /nfs/dbraw/zinc/17/83/55/271178355.db2.gz OSKCHNODRPCHSS-CQSZACIVSA-N 2 0 282.432 1.065 10 0 CDAERP CC(C)COCC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530243336 271180254 /nfs/dbraw/zinc/18/02/54/271180254.db2.gz WZXPZJJAIVRXFS-MRXNPFEDSA-N 2 0 284.444 1.750 10 0 CDAERP C[C@@H](CC[NH2+]CCF)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001668061507 1173363649 /nfs/dbraw/zinc/36/36/49/1173363649.db2.gz VVHVYXVZAQKZCQ-ZDUSSCGKSA-N 2 0 287.423 1.705 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@@H]2CNCC[C@@H]2C)CC1 ZINC000422736568 276257214 /nfs/dbraw/zinc/25/72/14/276257214.db2.gz GOQHNBVVKKWHHI-DZGCQCFKSA-N 2 0 253.434 1.696 10 0 CDAERP C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000253624199 277048935 /nfs/dbraw/zinc/04/89/35/277048935.db2.gz CRSPHNDXFAOJLO-MCIONIFRSA-N 2 0 265.401 1.071 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)N2CCOCC2)[C@H]2CCC[C@@H]21 ZINC000367616176 277170360 /nfs/dbraw/zinc/17/03/60/277170360.db2.gz LJOWJOSYWKGGSA-PMPSAXMXSA-N 2 0 295.471 1.560 10 0 CDAERP CC(C)C(=O)N[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000261883340 277334783 /nfs/dbraw/zinc/33/47/83/277334783.db2.gz YTEWDQVGOOJKKI-AWEZNQCLSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2CO)CC1 ZINC000153819100 277584978 /nfs/dbraw/zinc/58/49/78/277584978.db2.gz NVCHJEUPPRYEPJ-DZGCQCFKSA-N 2 0 254.418 2.000 10 0 CDAERP CC(C)[NH+]1CCN(CCC[NH2+][C@H]2CCOC2(C)C)CC1 ZINC000451237414 277610909 /nfs/dbraw/zinc/61/09/09/277610909.db2.gz BHAGAEXDHWHWTC-HNNXBMFYSA-N 2 0 283.460 1.560 10 0 CDAERP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000367527463 278260979 /nfs/dbraw/zinc/26/09/79/278260979.db2.gz OUZCZJUOBMLQQF-GXTWGEPZSA-N 2 0 277.416 1.013 10 0 CDAERP CCC[C@H]([NH3+])C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000038101755 278936516 /nfs/dbraw/zinc/93/65/16/278936516.db2.gz WDRQTLMTNJKHNL-ZDUSSCGKSA-N 2 0 253.390 1.201 10 0 CDAERP CC(C)C[C@H](CNC(=O)[C@@H]1CC[C@H]([NH3+])C1)[NH+](C)C ZINC000091546433 279159413 /nfs/dbraw/zinc/15/94/13/279159413.db2.gz QDBNIKKXTPEJLK-FRRDWIJNSA-N 2 0 255.406 1.206 10 0 CDAERP CCN(CCC[NH+]1CCCC1)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000418580953 279180692 /nfs/dbraw/zinc/18/06/92/279180692.db2.gz UFHJLEFRKATXBC-CABCVRRESA-N 2 0 296.459 1.502 10 0 CDAERP C[C@H](CNC(=O)N[C@@H]1CCCC[NH2+]C1)C[NH+]1CCCC1 ZINC000333843667 279335935 /nfs/dbraw/zinc/33/59/35/279335935.db2.gz VQHTYSVMDPKDGX-ZIAGYGMSSA-N 2 0 282.432 1.160 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[C@@H]2C[NH3+])[C@H](C)C1 ZINC000261817829 279396927 /nfs/dbraw/zinc/39/69/27/279396927.db2.gz SLBRDMCHQLRBEL-KBUPBQIOSA-N 2 0 281.444 1.550 10 0 CDAERP CC(C)[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2CO)CC1 ZINC000153819180 279482052 /nfs/dbraw/zinc/48/20/52/279482052.db2.gz NVCHJEUPPRYEPJ-ZFWWWQNUSA-N 2 0 254.418 2.000 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000194145316 280025035 /nfs/dbraw/zinc/02/50/35/280025035.db2.gz IWLFANAXEFQXJY-ZIAGYGMSSA-N 2 0 284.448 1.500 10 0 CDAERP CC[C@@H]1CCCCC[N@@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414694385 280239007 /nfs/dbraw/zinc/23/90/07/280239007.db2.gz FWEMTYMQGGKFCH-HUUCEWRRSA-N 2 0 281.444 1.838 10 0 CDAERP CCN(CC[NH2+]CC=C(C)C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001668430893 1173412874 /nfs/dbraw/zinc/41/28/74/1173412874.db2.gz JIZIAGIECAAKSG-INIZCTEOSA-N 2 0 293.455 1.733 10 0 CDAERP CCN(CC[NH2+]C/C=C/Cl)C(=O)C[N@H+](C)C(C)C ZINC001668652716 1173435390 /nfs/dbraw/zinc/43/53/90/1173435390.db2.gz UZVNSGRPMHHYOP-VOTSOKGWSA-N 2 0 275.824 1.517 10 0 CDAERP C[C@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCCCCC1 ZINC000173748968 289287959 /nfs/dbraw/zinc/28/79/59/289287959.db2.gz PZNRNTZGMGNUPZ-HUUCEWRRSA-N 2 0 279.428 1.558 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)C1CC1 ZINC000262607669 289397191 /nfs/dbraw/zinc/39/71/91/289397191.db2.gz BAIUQZSICYLKAH-CBBWQLFWSA-N 2 0 279.428 1.364 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC000553369872 290115776 /nfs/dbraw/zinc/11/57/76/290115776.db2.gz FPPGBHTVNKOWHJ-ZNMIVQPWSA-N 2 0 281.444 1.565 10 0 CDAERP C[N@@H+]1CC[C@H](NC[C@]2(C)CCC[NH2+]C2)[C@@H]2CCC[C@H]21 ZINC000423348729 290220677 /nfs/dbraw/zinc/22/06/77/290220677.db2.gz UNYBYGUWYDEMDC-CAOSSQGBSA-N 2 0 265.445 1.839 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C1CCC(COC)CC1 ZINC000423184081 292804494 /nfs/dbraw/zinc/80/44/94/292804494.db2.gz MTYWVBIWEHCRHE-JXQTWKCFSA-N 2 0 258.406 1.535 10 0 CDAERP C[NH2+]C(C)(C)CNC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000561046164 293045987 /nfs/dbraw/zinc/04/59/87/293045987.db2.gz TXEXOZYGZXCPMW-UHFFFAOYSA-N 2 0 276.384 1.452 10 0 CDAERP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC1([NH3+])CCCCCC1 ZINC000561182777 293059307 /nfs/dbraw/zinc/05/93/07/293059307.db2.gz PPRSCXKCGOSNQW-RYUDHWBXSA-N 2 0 253.390 1.152 10 0 CDAERP C[C@@H]1C[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C(C)(C)C1 ZINC000334881817 297025071 /nfs/dbraw/zinc/02/50/71/297025071.db2.gz MFGQZDBPOVBXIK-STQMWFEESA-N 2 0 267.417 1.304 10 0 CDAERP CC(C)[C@H](C(=O)N1CC[C@]2(C1)CCC[NH2+]C2)[C@H](C)[NH3+] ZINC000568381322 294023941 /nfs/dbraw/zinc/02/39/41/294023941.db2.gz GQEJSGTUMLORQQ-KCQAQPDRSA-N 2 0 267.417 1.208 10 0 CDAERP C[NH+]1CC[C@@H](NC[C@H]2CCC[N@@H+](C)C2)[C@@H]2CCC[C@H]21 ZINC000569031126 294145546 /nfs/dbraw/zinc/14/55/46/294145546.db2.gz URECOWXNPMRQAF-QKPAOTATSA-N 2 0 265.445 1.791 10 0 CDAERP C[NH+]1CC[C@@H](NC[C@H]2CCC[N@@H+](C)C2)[C@H]2CCC[C@H]21 ZINC000569031124 294145725 /nfs/dbraw/zinc/14/57/25/294145725.db2.gz URECOWXNPMRQAF-KLHDSHLOSA-N 2 0 265.445 1.791 10 0 CDAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)C(C)(C)C)C1 ZINC000570799363 294310416 /nfs/dbraw/zinc/31/04/16/294310416.db2.gz YHEANPMMHNFQKZ-AWEZNQCLSA-N 2 0 299.459 1.190 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)C[C@H](C)[NH3+])[C@H](C)C1 ZINC000574689830 295038859 /nfs/dbraw/zinc/03/88/59/295038859.db2.gz VQOSKEDKRWUMAT-RQJABVFESA-N 2 0 284.448 1.484 10 0 CDAERP [NH3+]CC1(CC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CCCCC1 ZINC000335809508 295222597 /nfs/dbraw/zinc/22/25/97/295222597.db2.gz DLXUBGVOCSWKEX-ZIAGYGMSSA-N 2 0 279.428 1.496 10 0 CDAERP [NH3+][C@H]1CCC[C@H]1C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000178751985 295338663 /nfs/dbraw/zinc/33/86/63/295338663.db2.gz UGLKNGZIWRVZTA-CABCVRRESA-N 2 0 279.428 1.591 10 0 CDAERP C[NH+]1CCC(CC(=O)NC/C=C/C[NH2+]CC2CC2)CC1 ZINC001669074774 1173502952 /nfs/dbraw/zinc/50/29/52/1173502952.db2.gz DIVKCKCRGSHJBV-NSCUHMNNSA-N 2 0 279.428 1.390 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N(C2CC2)C2CC[NH2+]CC2)CC[NH2+]1 ZINC000365413685 300396355 /nfs/dbraw/zinc/39/63/55/300396355.db2.gz HEGWUNDCQPXGPC-RYUDHWBXSA-N 2 0 265.401 1.118 10 0 CDAERP C[C@H](C[NH2+]CCC(F)(F)F)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001669446279 1173550408 /nfs/dbraw/zinc/55/04/08/1173550408.db2.gz CSAAYRXKDNWLQM-GHMZBOCLSA-N 2 0 295.349 1.375 10 0 CDAERP C[C@@H](C[NH2+]CC1=CCCCC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001669634262 1173578651 /nfs/dbraw/zinc/57/86/51/1173578651.db2.gz BXJDMCJMZIRNOI-DZGCQCFKSA-N 2 0 279.428 1.675 10 0 CDAERP CC(C)C[NH2+]CCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001670246388 1173667313 /nfs/dbraw/zinc/66/73/13/1173667313.db2.gz XOWKCXQRBMWGIH-CQSZACIVSA-N 2 0 269.433 1.422 10 0 CDAERP C[C@H](C(=O)N1CCC[C@H]1C[NH2+]CCF)[NH+]1CCCCCC1 ZINC001671355702 1173677885 /nfs/dbraw/zinc/67/78/85/1173677885.db2.gz RRXWBKODVGYNST-CABCVRRESA-N 2 0 299.434 1.801 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C1CCCC1 ZINC001671564321 1173689765 /nfs/dbraw/zinc/68/97/65/1173689765.db2.gz LZKZXKBLZUCOAF-CQSZACIVSA-N 2 0 267.417 1.367 10 0 CDAERP CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001671752942 1173710060 /nfs/dbraw/zinc/71/00/60/1173710060.db2.gz KYKOPZVCOZMPRF-ZBFHGGJFSA-N 2 0 281.444 1.709 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@](C)(C[NH2+]CCCF)C1 ZINC001671752796 1173709440 /nfs/dbraw/zinc/70/94/40/1173709440.db2.gz JTFYXCNYVQBYPM-ZBFHGGJFSA-N 2 0 299.434 1.659 10 0 CDAERP C[C@H](Cc1ccccc1)[NH+]1CCC(NC2C[NH2+]C2)CC1 ZINC000563616447 316343168 /nfs/dbraw/zinc/34/31/68/316343168.db2.gz LBMWRBFSZNQQHD-CQSZACIVSA-N 2 0 273.424 1.643 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000563809805 316374381 /nfs/dbraw/zinc/37/43/81/316374381.db2.gz AGOZGZVHEVIACS-UONOGXRCSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@H](Cn1cncn1)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000563957635 316406154 /nfs/dbraw/zinc/40/61/54/316406154.db2.gz QJGIHGUIPPKXNZ-CQSZACIVSA-N 2 0 259.357 1.305 10 0 CDAERP CSC1(C[NH2+]C[C@H](O)COC(C)C)CC[NH+](C)CC1 ZINC000566131249 316487020 /nfs/dbraw/zinc/48/70/20/316487020.db2.gz XKHGUSLJMSEBPX-ZDUSSCGKSA-N 2 0 290.473 1.189 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000577077007 317262542 /nfs/dbraw/zinc/26/25/42/317262542.db2.gz MPQKBXOYSVALRT-ZIAGYGMSSA-N 2 0 267.417 1.271 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000577117180 317269504 /nfs/dbraw/zinc/26/95/04/317269504.db2.gz MHOLBDGFYSEHKZ-OAHLLOKOSA-N 2 0 275.396 1.411 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000577491686 317339732 /nfs/dbraw/zinc/33/97/32/317339732.db2.gz DOSWVJUAUHNLAX-CABCVRRESA-N 2 0 281.444 1.885 10 0 CDAERP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(-n2cncn2)c(F)c1 ZINC000577720438 317387357 /nfs/dbraw/zinc/38/73/57/317387357.db2.gz FSVAQOCJRPQUPZ-FZMZJTMJSA-N 2 0 289.358 1.494 10 0 CDAERP CC[C@@H](C(=O)N1CC[C@H](CC[NH2+]CCF)C1)[NH+](C)C ZINC001672864203 1173805540 /nfs/dbraw/zinc/80/55/40/1173805540.db2.gz XQWIKYXTRCFXTG-STQMWFEESA-N 2 0 273.396 1.124 10 0 CDAERP CN(CC1CC[NH+](C)CC1)C(=O)COC1CCC([NH3+])CC1 ZINC000578445501 323933448 /nfs/dbraw/zinc/93/34/48/323933448.db2.gz FZCPBKVYHPYPIR-UHFFFAOYSA-N 2 0 297.443 1.073 10 0 CDAERP O=C(CC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)NC1CCCC1 ZINC000578868120 324042829 /nfs/dbraw/zinc/04/28/29/324042829.db2.gz PORCYLRSADONOE-INIZCTEOSA-N 2 0 279.428 1.511 10 0 CDAERP CC[NH+](CC)CC[C@H](CO)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000579493069 324205471 /nfs/dbraw/zinc/20/54/71/324205471.db2.gz YNITTWQTHHYFFR-HUUCEWRRSA-N 2 0 299.459 1.070 10 0 CDAERP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000583439286 325175017 /nfs/dbraw/zinc/17/50/17/325175017.db2.gz ILSMUGUSUKCXRJ-YDHLFZDLSA-N 2 0 281.444 1.563 10 0 CDAERP C[C@]1(F)C[NH2+]CCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000583817331 325246856 /nfs/dbraw/zinc/24/68/56/325246856.db2.gz HSNXUTBHBYPKMR-INIZCTEOSA-N 2 0 277.387 1.466 10 0 CDAERP CSC[C@H](O)C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000584345807 328593281 /nfs/dbraw/zinc/59/32/81/328593281.db2.gz BYSYTIAYPBGHCQ-WXRRBKDZSA-N 2 0 260.447 1.420 10 0 CDAERP CN(CC[NH2+]C/C=C/Cl)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001731921301 1159392007 /nfs/dbraw/zinc/39/20/07/1159392007.db2.gz BKGMHOXLNUEBAM-GBVBUYCNSA-N 2 0 287.835 1.661 10 0 CDAERP CC(C)OCC[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001268801262 1160018465 /nfs/dbraw/zinc/01/84/65/1160018465.db2.gz DSWLJNDXCBXLKK-OAHLLOKOSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@H](C[NH2+]CCC[C@H](C)O)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001270985150 1160234612 /nfs/dbraw/zinc/23/46/12/1160234612.db2.gz FSKRSUFACABQBA-KGLIPLIRSA-N 2 0 299.459 1.068 10 0 CDAERP CC[N@H+](CCC(F)(F)F)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662257319 482208680 /nfs/dbraw/zinc/20/86/80/482208680.db2.gz MHVLZLOPSZKJJF-JTQLQIEISA-N 2 0 266.307 1.782 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CC1([NH3+])CC1 ZINC000398067737 482241711 /nfs/dbraw/zinc/24/17/11/482241711.db2.gz IIPGGOOQZIQYCU-GFCCVEGCSA-N 2 0 253.390 1.249 10 0 CDAERP c1ccc2c(c1)CCCN2CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000677761611 482267626 /nfs/dbraw/zinc/26/76/26/482267626.db2.gz QQWJPUTXGJQYLU-HOTGVXAUSA-N 2 0 271.408 1.590 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC2(COC2)C1 ZINC000668719680 482506681 /nfs/dbraw/zinc/50/66/81/482506681.db2.gz CIXFSAURDJLTNS-UHFFFAOYSA-N 2 0 284.363 1.798 10 0 CDAERP C[C@@H]1CC[NH2+][C@H](C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)C1 ZINC000669518341 482545679 /nfs/dbraw/zinc/54/56/79/482545679.db2.gz NRLZNONQTTWZHL-YGRLFVJLSA-N 2 0 291.370 1.798 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000417285481 482578356 /nfs/dbraw/zinc/57/83/56/482578356.db2.gz HKEILUHQQJCMCZ-FRRDWIJNSA-N 2 0 270.421 1.014 10 0 CDAERP C[NH+](C)Cc1cc(CNC(=O)CC(C)(C)[NH3+])ccc1F ZINC000237037583 482634216 /nfs/dbraw/zinc/63/42/16/482634216.db2.gz TXQRCNJANIIAKM-UHFFFAOYSA-N 2 0 281.375 1.631 10 0 CDAERP CCO[C@@H]1C[N@H+](CCOCCC(C)C)C[C@H]1C[NH3+] ZINC000405887123 482649288 /nfs/dbraw/zinc/64/92/88/482649288.db2.gz VTCHVNZNCFMCAH-ZIAGYGMSSA-N 2 0 258.406 1.345 10 0 CDAERP CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)CCN2CC[NH+](C)CC2)C1 ZINC000684395871 482791031 /nfs/dbraw/zinc/79/10/31/482791031.db2.gz ZPJFRZGIYLIBJY-HRCADAONSA-N 2 0 283.460 1.560 10 0 CDAERP C[N@H+](CCN1CC[NH2+]CC1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403209087 482791688 /nfs/dbraw/zinc/79/16/88/482791688.db2.gz PMRIDSCQIKVZJI-KFWWJZLASA-N 2 0 251.418 1.260 10 0 CDAERP OCCC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)C1CC1 ZINC000667631040 482873410 /nfs/dbraw/zinc/87/34/10/482873410.db2.gz YAEDSDSIBVITOC-UHFFFAOYSA-N 2 0 272.352 1.614 10 0 CDAERP C[NH+](C)CC(C)(C)CNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089448919 483077399 /nfs/dbraw/zinc/07/73/99/483077399.db2.gz PBTMLZLIESYZAK-NEPJUHHUSA-N 2 0 255.406 1.065 10 0 CDAERP CC(C)[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089455919 483080158 /nfs/dbraw/zinc/08/01/58/483080158.db2.gz QFAYREHMNBMHQB-ZFWWWQNUSA-N 2 0 281.444 1.693 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000089459331 483085925 /nfs/dbraw/zinc/08/59/25/483085925.db2.gz DHTBMLRBOSJBCK-OWCLPIDISA-N 2 0 289.423 1.781 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089461161 483088300 /nfs/dbraw/zinc/08/83/00/483088300.db2.gz WHWQDDUBGYUOBM-XQQFMLRXSA-N 2 0 255.406 1.208 10 0 CDAERP O=C(NCCC[NH2+]Cc1cccnc1)[C@H]1CCC[NH2+]CC1 ZINC000653044581 483239462 /nfs/dbraw/zinc/23/94/62/483239462.db2.gz PEHXWOVXZYEDKU-HNNXBMFYSA-N 2 0 290.411 1.067 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000682731098 483342262 /nfs/dbraw/zinc/34/22/62/483342262.db2.gz ULJNFERWZUOXAP-CJNGLKHVSA-N 2 0 286.379 1.826 10 0 CDAERP COCCN1CCC([NH2+][C@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667814967 483445281 /nfs/dbraw/zinc/44/52/81/483445281.db2.gz GCGOCDZWVCVLCY-HUUCEWRRSA-N 2 0 268.401 1.254 10 0 CDAERP Cc1noc([C@@H](C)NCc2ccnn2-c2cc[nH+]cc2)n1 ZINC000668050631 483547808 /nfs/dbraw/zinc/54/78/08/483547808.db2.gz WTBSUSGUXFGOHC-SNVBAGLBSA-N 2 0 284.323 1.810 10 0 CDAERP CC(C)CCC[NH2+]CCN(C)C(=O)C[NH+]1CCCC1 ZINC001691602996 1160714976 /nfs/dbraw/zinc/71/49/76/1160714976.db2.gz NPVZOPOMYMCRNJ-UHFFFAOYSA-N 2 0 269.433 1.566 10 0 CDAERP CC(C)CN(CC[NH+](C)C)Cc1ccnc(C[NH3+])c1 ZINC000068750301 519716912 /nfs/dbraw/zinc/71/69/12/519716912.db2.gz UCFFVKGFIUMYNT-UHFFFAOYSA-N 2 0 264.417 1.560 10 0 CDAERP CC(C)C[NH+]1CCN(CC[C@H]2CCCC[NH2+]2)CC1 ZINC000055079536 519725937 /nfs/dbraw/zinc/72/59/37/519725937.db2.gz RZIWSJSUHYEUDQ-OAHLLOKOSA-N 2 0 253.434 1.792 10 0 CDAERP CC(C)[NH2+]Cc1cn(CC[N@@H+]2CC[C@@H](C)C2)nn1 ZINC000052484506 519728730 /nfs/dbraw/zinc/72/87/30/519728730.db2.gz GLDRTUGCULTIAS-GFCCVEGCSA-N 2 0 251.378 1.118 10 0 CDAERP CC(C)N[C@@](C)(C[C@H](C)[NH+]1CCCCC1)C(N)=O ZINC000068620443 519736478 /nfs/dbraw/zinc/73/64/78/519736478.db2.gz CJBKJBASCQPSJP-JSGCOSHPSA-N 2 0 255.406 1.493 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C[NH2+]CCF)C2CC2)C1 ZINC001483584110 1160950877 /nfs/dbraw/zinc/95/08/77/1160950877.db2.gz VBOZGDVRUFSSLI-CABCVRRESA-N 2 0 299.434 1.562 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@H](C[N@H+](CC)[C@@H](C)COC)O1 ZINC000052505026 519927261 /nfs/dbraw/zinc/92/72/61/519927261.db2.gz KBMWXGBFASOPIA-SOUVJXGZSA-N 2 0 272.433 1.890 10 0 CDAERP CC[NH2+]C[C@@](C)(CC)CN1CCN(CC[NH+](C)C)CC1 ZINC000061653740 519958396 /nfs/dbraw/zinc/95/83/96/519958396.db2.gz ZBXXXTPKJRDHEG-MRXNPFEDSA-N 2 0 284.492 1.191 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@H+](CCOC)[C@@H](C)COC)O1 ZINC000052572432 519977269 /nfs/dbraw/zinc/97/72/69/519977269.db2.gz DAXNNNLUCYNZKO-ZNMIVQPWSA-N 2 0 288.432 1.127 10 0 CDAERP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cnn(CCO)c1 ZINC000068690414 520637494 /nfs/dbraw/zinc/63/74/94/520637494.db2.gz OHFDKUUHPMIIOB-AWEZNQCLSA-N 2 0 282.432 1.476 10 0 CDAERP CCC1(C(=O)N2CCC(C[NH+](C)C)CC2)CC[NH2+]CC1 ZINC000062849283 521660158 /nfs/dbraw/zinc/66/01/58/521660158.db2.gz GTEIPLBYADKYSE-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1CC[NH2+]CC1CCCC1 ZINC000061655202 521837469 /nfs/dbraw/zinc/83/74/69/521837469.db2.gz PBGXVNHYRHRZNB-HNNXBMFYSA-N 2 0 253.434 1.792 10 0 CDAERP C[NH2+]CC[C@H](C)N1CC[NH+](Cc2ccccc2)CC1 ZINC000052417112 522019277 /nfs/dbraw/zinc/01/92/77/522019277.db2.gz OSMIHNLLTMQTQL-HNNXBMFYSA-N 2 0 261.413 1.802 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)CC[C@H]2CCCC[NH2+]2)CC1 ZINC000055078203 522108452 /nfs/dbraw/zinc/10/84/52/522108452.db2.gz WSXDPFFDESMWOG-HUUCEWRRSA-N 2 0 281.444 1.851 10 0 CDAERP C[C@H](CCC[NH2+]CCF)NC(=O)CC1CC[NH+](C)CC1 ZINC001734255735 1183705702 /nfs/dbraw/zinc/70/57/02/1183705702.db2.gz XASDSDWRGDBPFY-CYBMUJFWSA-N 2 0 287.423 1.562 10 0 CDAERP C([NH2+]C1CC1)C1(C[N@@H+]2CCCSCC2)CCOCC1 ZINC000052197952 518396829 /nfs/dbraw/zinc/39/68/29/518396829.db2.gz JLLCKKMUAZLLSV-UHFFFAOYSA-N 2 0 284.469 1.974 10 0 CDAERP CC(C)(C)[NH+]1CCN(c2ncc(C[NH3+])s2)CC1 ZINC000054898195 518714196 /nfs/dbraw/zinc/71/41/96/518714196.db2.gz XAJWPFYRARCCOM-UHFFFAOYSA-N 2 0 254.403 1.522 10 0 CDAERP CC(C)[NH+]1CCN(C(=O)[C@@H]2CCC[C@H](C[NH3+])C2)CC1 ZINC000055147720 519680234 /nfs/dbraw/zinc/68/02/34/519680234.db2.gz CIBVHKVMSSZNMV-UONOGXRCSA-N 2 0 267.417 1.304 10 0 CDAERP CC(C)[NH+]1CCN(C(=O)[C@H]2CCC[C@H](CC[NH3+])C2)CC1 ZINC000055147734 519680433 /nfs/dbraw/zinc/68/04/33/519680433.db2.gz QRNZZBYNBMSKHX-CABCVRRESA-N 2 0 281.444 1.694 10 0 CDAERP CC(C)[NH2+]CC1(CN(C)C2CC[NH+](C)CC2)CCOCC1 ZINC000052181040 519719765 /nfs/dbraw/zinc/71/97/65/519719765.db2.gz QLUTUHPCYPZBSI-UHFFFAOYSA-N 2 0 297.487 1.807 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)C[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000055132151 519723709 /nfs/dbraw/zinc/72/37/09/519723709.db2.gz IVLLIEWEEDXXKA-HUUCEWRRSA-N 2 0 281.444 1.694 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)C2CCN(C)CC2)O1 ZINC000052419916 519723990 /nfs/dbraw/zinc/72/39/90/519723990.db2.gz KPOSKHSDXNMOLQ-JKSUJKDBSA-N 2 0 283.460 1.558 10 0 CDAERP CC(C)C[NH2+]CC1(C[N@@H+]2CC[C@@H](O)C2)CCOCC1 ZINC000061712125 519742894 /nfs/dbraw/zinc/74/28/94/519742894.db2.gz KTYZJVHOCGIYLD-CQSZACIVSA-N 2 0 270.417 1.095 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CC[C@@H](C[NH+]2CCN(C3CC3)CC2)O1 ZINC000052371410 519745382 /nfs/dbraw/zinc/74/53/82/519745382.db2.gz ROJIRVDDHRMFJG-IRXDYDNUSA-N 2 0 295.471 1.560 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)C2CCN(C)CC2)O1 ZINC000052419929 519745971 /nfs/dbraw/zinc/74/59/71/519745971.db2.gz CMFJQFVVLFRJNG-SJORKVTESA-N 2 0 297.487 1.806 10 0 CDAERP CC(C)[C@H](CNC(=O)[C@H]1CC12CC[NH2+]CC2)[NH+](C)C ZINC000070255210 519815710 /nfs/dbraw/zinc/81/57/10/519815710.db2.gz CNIFTODWBPSUOG-OLZOCXBDSA-N 2 0 267.417 1.079 10 0 CDAERP CC[NH2+]CCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000061291830 519917353 /nfs/dbraw/zinc/91/73/53/519917353.db2.gz WANCPUAMHSJLFZ-OAHLLOKOSA-N 2 0 275.396 1.377 10 0 CDAERP CC[NH2+]CCCCC[N@H+](CCOC)[C@@H](C)COC ZINC000052572411 519919472 /nfs/dbraw/zinc/91/94/72/519919472.db2.gz FEHSZHSZJHNNHJ-AWEZNQCLSA-N 2 0 260.422 1.750 10 0 CDAERP CCC[NH2+]C[C@@H](C)CN1CC[NH+](CC(C)C)CC1 ZINC000055083033 519920582 /nfs/dbraw/zinc/92/05/82/519920582.db2.gz LZNBKUXLJUSJDX-OAHLLOKOSA-N 2 0 255.450 1.896 10 0 CDAERP CCC[NH2+]C[C@H]1CCN([C@@H](C)C[NH+]2CCCC2)C1 ZINC000053031871 519937278 /nfs/dbraw/zinc/93/72/78/519937278.db2.gz SAXDWJFUIARBCC-LSDHHAIUSA-N 2 0 253.434 1.792 10 0 CDAERP CC[NH2+]Cc1cn(CC[N@@H+]2CCC[C@H]2CC)nn1 ZINC000052375160 520012588 /nfs/dbraw/zinc/01/25/88/520012588.db2.gz ZWTUMUIWYMWVEW-CYBMUJFWSA-N 2 0 251.378 1.262 10 0 CDAERP CC[NH2+][C@@H](CN(C)C1CC[NH+](CC)CC1)C1CC1 ZINC000069074558 520096598 /nfs/dbraw/zinc/09/65/98/520096598.db2.gz RLIYHKGHTZRMLU-HNNXBMFYSA-N 2 0 253.434 1.791 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000061272919 520165395 /nfs/dbraw/zinc/16/53/95/520165395.db2.gz IAGNEEZEPRGHIW-OLZOCXBDSA-N 2 0 255.406 1.365 10 0 CDAERP CCN(CC)C(=O)C[NH2+]CCCC[N@H+](C)C(C)C ZINC000045701344 520488006 /nfs/dbraw/zinc/48/80/06/520488006.db2.gz LZPYUBBQMGCWQO-UHFFFAOYSA-N 2 0 257.422 1.565 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@@H]1[C@@H](C)CCC[C@@H]1[NH3+] ZINC000055123423 520617691 /nfs/dbraw/zinc/61/76/91/520617691.db2.gz FHGBOCBTECYDHJ-MELADBBJSA-N 2 0 269.433 1.598 10 0 CDAERP CC[N@@H+](Cc1occc1C[NH2+]C)C[C@H]1CCCO1 ZINC000052510671 521470558 /nfs/dbraw/zinc/47/05/58/521470558.db2.gz BLTDKRVOVCNWIP-CYBMUJFWSA-N 2 0 252.358 2.000 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000055129420 521555335 /nfs/dbraw/zinc/55/53/35/521555335.db2.gz DHAQEWGRIMSBOH-GZBFAFLISA-N 2 0 281.444 1.693 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@H](C[NH3+])C2)CC1 ZINC000055147760 521556773 /nfs/dbraw/zinc/55/67/73/521556773.db2.gz HNPMPAJPWQMMCX-UONOGXRCSA-N 2 0 281.444 1.694 10 0 CDAERP CC[NH+]1CCC([C@H](C)[NH2+][C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000069142289 521584322 /nfs/dbraw/zinc/58/43/22/521584322.db2.gz XUFYVCUUZWIOSS-GXTWGEPZSA-N 2 0 288.457 1.274 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000049227374 521621317 /nfs/dbraw/zinc/62/13/17/521621317.db2.gz LFLDFXKNAIOSDP-CQSZACIVSA-N 2 0 276.384 1.751 10 0 CDAERP CCCN(CC[NH+](C)C)Cc1cc(C[NH3+])oc1C ZINC000052544213 521656794 /nfs/dbraw/zinc/65/67/94/521656794.db2.gz DGRZQLGMGPVQII-UHFFFAOYSA-N 2 0 253.390 1.820 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1Cc1csc(C[NH3+])n1 ZINC000061654598 521841675 /nfs/dbraw/zinc/84/16/75/521841675.db2.gz YCPWRKACJHEAGM-NSHDSACASA-N 2 0 254.403 1.128 10 0 CDAERP C[NH2+]C[C@H]1CCN(CCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000053011490 522090529 /nfs/dbraw/zinc/09/05/29/522090529.db2.gz MOTCSTXDBYPGEU-LSDHHAIUSA-N 2 0 253.434 1.792 10 0 CDAERP C[NH2+]Cc1cc(CN2CCC[C@@H]2C[NH+](C)C)c(C)o1 ZINC000061654527 522105803 /nfs/dbraw/zinc/10/58/03/522105803.db2.gz SAXHWEANPQFKDV-CQSZACIVSA-N 2 0 265.401 1.833 10 0 CDAERP C[NH2+]Cc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000052379397 522122725 /nfs/dbraw/zinc/12/27/25/522122725.db2.gz DYCNVIOUPWGCED-UHFFFAOYSA-N 2 0 263.385 1.032 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000055072544 522124989 /nfs/dbraw/zinc/12/49/89/522124989.db2.gz YALROAOVORCUJX-ILXRZTDVSA-N 2 0 253.434 1.920 10 0 CDAERP CC[C@H]([NH3+])[C@@H](N1CCN(CC[NH+](C)C)CC1)C(C)(C)C ZINC000061642372 522337348 /nfs/dbraw/zinc/33/73/48/522337348.db2.gz CRJYVJBFBLGZFF-LSDHHAIUSA-N 3 0 284.492 1.318 10 0 CDAERP C[NH2+][C@@](C)(CCCC[NH+]1CCC(C)(C)CC1)C(N)=O ZINC000061822058 522405912 /nfs/dbraw/zinc/40/59/12/522405912.db2.gz ZZVGGXZSQDBCRG-HNNXBMFYSA-N 2 0 269.433 1.742 10 0 CDAERP CC[C@@H]([NH3+])[C@H](c1cccnc1)N1CCC[C@@H]1C[NH+](C)C ZINC000061642238 522654197 /nfs/dbraw/zinc/65/41/97/522654197.db2.gz AIHBDOGBJXBDMO-OAGGEKHMSA-N 2 0 276.428 1.886 10 0 CDAERP COCCC[N@H+](CCOC)Cc1occc1C[NH3+] ZINC000052543245 523258425 /nfs/dbraw/zinc/25/84/25/523258425.db2.gz NHEMDOGICYFMOT-UHFFFAOYSA-N 2 0 256.346 1.223 10 0 CDAERP COCC[N@H+](C[C@H](C)C[NH2+]CC(C)C)[C@@H](C)COC ZINC000052572302 523733941 /nfs/dbraw/zinc/73/39/41/523733941.db2.gz IODRMNBACDIRBW-CABCVRRESA-N 2 0 274.449 1.851 10 0 CDAERP CN(C(=O)[C@@H]1CCCC[C@@H]1[NH3+])[C@@H]1CCC[N@H+](C)C1 ZINC000055088138 523894372 /nfs/dbraw/zinc/89/43/72/523894372.db2.gz HQWJASZUTJMSIT-UPJWGTAASA-N 2 0 253.390 1.057 10 0 CDAERP CC[C@H](C)[NH+]1CCN(Cc2cc[nH+]c(NN)c2)CC1 ZINC000055071341 523957002 /nfs/dbraw/zinc/95/70/02/523957002.db2.gz XSCUAKXJYDUVHH-LBPRGKRZSA-N 2 0 263.389 1.283 10 0 CDAERP C[NH+](C)CCCCNC(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050951968 524052469 /nfs/dbraw/zinc/05/24/69/524052469.db2.gz QVDLXRGPHMSIQS-CYBMUJFWSA-N 2 0 255.406 1.367 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000246551349 524111454 /nfs/dbraw/zinc/11/14/54/524111454.db2.gz TVVWGQZNYVWDRF-FRRDWIJNSA-N 2 0 253.390 1.104 10 0 CDAERP C[C@H]1CCC[C@@H](C(=O)N(C)C2CC[NH+](C)CC2)[C@@H]1[NH3+] ZINC000055123269 524125629 /nfs/dbraw/zinc/12/56/29/524125629.db2.gz QEJILMXSICFNNH-IACUBPJLSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@H]1CCC[C@@H](C(=O)N2CCC(C[NH+](C)C)CC2)[C@@H]1[NH3+] ZINC000055134926 524125412 /nfs/dbraw/zinc/12/54/12/524125412.db2.gz MTOINQSDVKQALD-NWANDNLSSA-N 2 0 281.444 1.550 10 0 CDAERP C[C@H]1CCC[C@@H](C(=O)NCC(C)(C)[NH+](C)C)[C@@H]1[NH3+] ZINC000055141715 524127227 /nfs/dbraw/zinc/12/72/27/524127227.db2.gz AFKNGOBWGTXGPR-QJPTWQEYSA-N 2 0 255.406 1.206 10 0 CDAERP C[C@H]1CC[C@H](C(=O)NCC[NH+]2CCCCCC2)C[C@@H]1[NH3+] ZINC000055136205 524382070 /nfs/dbraw/zinc/38/20/70/524382070.db2.gz ZFRWQPOQCVWSPV-KKUMJFAQSA-N 2 0 281.444 1.742 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1)[NH+]1CCC(C)CC1 ZINC000236723932 524441940 /nfs/dbraw/zinc/44/19/40/524441940.db2.gz XKWXIIJGTGOXOX-MGPQQGTHSA-N 2 0 267.417 1.350 10 0 CDAERP C[C@@H]1CC[C@@H]([NH3+])C[C@@H]1C(=O)N1CCC([NH+](C)C)CC1 ZINC000055128225 524601219 /nfs/dbraw/zinc/60/12/19/524601219.db2.gz HKAXEQLLGYYICP-BZPMIXESSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@@H]1CC[C@H](C(=O)N(C)C2CC[NH+](C)CC2)C[C@@H]1[NH3+] ZINC000055123241 524626531 /nfs/dbraw/zinc/62/65/31/524626531.db2.gz DOVKLEFTIMNWRZ-DYEKYZERSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@H]1C[NH2+]CCC[N@H+](C[C@@H]2Cc3ccccc3O2)C1 ZINC000051087216 524690774 /nfs/dbraw/zinc/69/07/74/524690774.db2.gz JEHCPYAXHUSZOF-ZFWWWQNUSA-N 2 0 260.381 1.922 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCC[NH+]2CCCCC2)CC[C@@H]1[NH3+] ZINC000055138346 524770241 /nfs/dbraw/zinc/77/02/41/524770241.db2.gz BOBSJNAANPZCBD-IHRRRGAJSA-N 2 0 267.417 1.352 10 0 CDAERP C[C@H]1C[C@@H]([NH3+])CC[C@@H]1C(=O)NCC(C)(C)[NH+](C)C ZINC000055141750 524791838 /nfs/dbraw/zinc/79/18/38/524791838.db2.gz PPSPHWJRFDCQQU-SRVKXCTJSA-N 2 0 255.406 1.206 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000262353781 525383733 /nfs/dbraw/zinc/38/37/33/525383733.db2.gz HQMBCBPHTXDRFC-FZKCQIBNSA-N 2 0 295.471 1.859 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)C[C@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC000246202324 525416545 /nfs/dbraw/zinc/41/65/45/525416545.db2.gz FDTJQVVYLAXUDD-JHJVBQTASA-N 2 0 253.390 1.070 10 0 CDAERP O=C(CC[C@@H]1CCCC[NH2+]1)NC1CC[NH+](C2CC2)CC1 ZINC000050944931 526547058 /nfs/dbraw/zinc/54/70/58/526547058.db2.gz ADAXHDKJIACMIU-ZDUSSCGKSA-N 2 0 279.428 1.652 10 0 CDAERP NC(=[NH2+])c1ccc(N2CC[C@H]([NH+]3CCCCC3)C2)nc1 ZINC000062980588 526823153 /nfs/dbraw/zinc/82/31/53/526823153.db2.gz DPKAQGFRYLUKGK-ZDUSSCGKSA-N 2 0 273.384 1.430 10 0 CDAERP Cc1nc(N(C)[C@H]2CCC[N@H+](C)C2)sc1C[NH3+] ZINC000054998274 526952200 /nfs/dbraw/zinc/95/22/00/526952200.db2.gz JXVCMYDKPWIQKT-JTQLQIEISA-N 2 0 254.403 1.441 10 0 CDAERP [NH3+]C[C@@H]1CC[C@@H](CN2CCC([NH+]3CCCCC3)CC2)O1 ZINC000052484219 527218389 /nfs/dbraw/zinc/21/83/89/527218389.db2.gz FPFQHUKQCKMDSR-HOTGVXAUSA-N 2 0 281.444 1.443 10 0 CDAERP NNc1cc(C[N@H+](CCO)C2CCCC2)cc[nH+]1 ZINC000052720725 527274441 /nfs/dbraw/zinc/27/44/41/527274441.db2.gz RAGBXCGFIGLUHA-UHFFFAOYSA-N 2 0 250.346 1.104 10 0 CDAERP CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000188723002 535213973 /nfs/dbraw/zinc/21/39/73/535213973.db2.gz OIGPVOJHSQEHPW-LSDHHAIUSA-N 2 0 299.434 1.657 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000261556654 535572579 /nfs/dbraw/zinc/57/25/79/535572579.db2.gz CCVFEVDSRLVCON-OLZOCXBDSA-N 2 0 253.390 1.119 10 0 CDAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCCCC[NH3+] ZINC000417202886 535939933 /nfs/dbraw/zinc/93/99/33/535939933.db2.gz XZLNQLCXXTYZFU-OAHLLOKOSA-N 2 0 292.427 1.197 10 0 CDAERP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000765000166 575973741 /nfs/dbraw/zinc/97/37/41/575973741.db2.gz IMSFDWSVADIEOT-IAGOWNOFSA-N 2 0 289.423 1.403 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCCN2CCOC2=O)[C@@H](C)C1 ZINC000746471724 576777843 /nfs/dbraw/zinc/77/78/43/576777843.db2.gz MLIXVWUVVRTVFZ-KBPBESRZSA-N 2 0 283.416 1.491 10 0 CDAERP CCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001689109954 1175098053 /nfs/dbraw/zinc/09/80/53/1175098053.db2.gz DWWCJYLLHHPQRC-OAGGEKHMSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC2CC2)C1 ZINC001690051634 1175357775 /nfs/dbraw/zinc/35/77/75/1175357775.db2.gz JZERXXKLUDNQGY-CQSZACIVSA-N 2 0 267.417 1.317 10 0 CDAERP [NH3+][C@H]1C[C@@H](NC2CC([NH+]3CCCCC3)C2)C12CCC2 ZINC000925663386 617609868 /nfs/dbraw/zinc/60/98/68/617609868.db2.gz RNULKRHUFHHLAR-PFSRBDOWSA-N 2 0 263.429 1.863 10 0 CDAERP CCC[N@H+](CC)CCN[C@H]1CC[NH2+]C12CCCC2 ZINC000925530234 617462939 /nfs/dbraw/zinc/46/29/39/617462939.db2.gz PWAHRKSAYGUPHQ-AWEZNQCLSA-N 2 0 253.434 1.983 10 0 CDAERP C[C@H](CC(N)=O)[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925576805 617525985 /nfs/dbraw/zinc/52/59/85/617525985.db2.gz ZAXAVVLDXLIYKA-WXHSDQCUSA-N 2 0 253.390 1.008 10 0 CDAERP CCNC(=O)C(C)(C)C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925605598 617549152 /nfs/dbraw/zinc/54/91/52/617549152.db2.gz FQXMSONZBRNKNE-VXGBXAGGSA-N 2 0 269.433 1.644 10 0 CDAERP CC1(C)[C@H]([NH2+][C@@H]2C=C[C@H](CO)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925617218 617562734 /nfs/dbraw/zinc/56/27/34/617562734.db2.gz WCKKGFLBYQOGGN-MQLXINIDSA-N 2 0 250.386 1.290 10 0 CDAERP CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925626891 617572803 /nfs/dbraw/zinc/57/28/03/617572803.db2.gz UWASXROILSTIEI-XQQFMLRXSA-N 2 0 254.418 1.889 10 0 CDAERP CC1(C)C[C@@H]([NH2+]C[C@H]2COC3(CCOCC3)O2)C[C@@H]([NH3+])C1 ZINC000925628496 617576481 /nfs/dbraw/zinc/57/64/81/617576481.db2.gz HPKJDFVXZOSDHU-RDBSUJKOSA-N 2 0 298.427 1.404 10 0 CDAERP C[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccco1 ZINC000925857289 617895882 /nfs/dbraw/zinc/89/58/82/617895882.db2.gz SKUVYTVBWWZFFI-NEPJUHHUSA-N 2 0 278.352 1.616 10 0 CDAERP CC[NH+](CC)CCCN1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000931315660 617711028 /nfs/dbraw/zinc/71/10/28/617711028.db2.gz YWMBBDLWHXVRBP-IYBDPMFKSA-N 2 0 267.461 1.992 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@H]2CCCc3ccccc3C2)CC1 ZINC000925817191 617772607 /nfs/dbraw/zinc/77/26/07/617772607.db2.gz ODHYFWCVHSVQAC-SFHVURJKSA-N 2 0 287.451 1.947 10 0 CDAERP O=C1O[C@H](C[NH2+]C(C2CC2)C2CC2)CC12CC[NH2+]CC2 ZINC000925854880 617892629 /nfs/dbraw/zinc/89/26/29/617892629.db2.gz SOIGBGUOUFKQQJ-ZDUSSCGKSA-N 2 0 278.396 1.450 10 0 CDAERP CC(C)(O)C[N@@H+]1CC[C@H](N[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925725055 617933639 /nfs/dbraw/zinc/93/36/39/617933639.db2.gz QGRKMCGHQOVSJN-MELADBBJSA-N 2 0 283.460 1.327 10 0 CDAERP Cn1nccc1[C@H](O)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000925889522 617981515 /nfs/dbraw/zinc/98/15/15/617981515.db2.gz KIRCEFIYSZJQJS-DSJMHWKBSA-N 2 0 292.427 1.354 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)N1CC[NH+]2CCC1CC2 ZINC000341568327 620788218 /nfs/dbraw/zinc/78/82/18/620788218.db2.gz MSAMQKBPJIYNDU-CYBMUJFWSA-N 2 0 282.432 1.206 10 0 CDAERP Cc1csc(C[C@@H]2CCC[N@@H+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)C2)n1 ZINC000923427455 618335269 /nfs/dbraw/zinc/33/52/69/618335269.db2.gz YZADGEWODQBNRM-XUXIUFHCSA-N 2 0 295.452 1.557 10 0 CDAERP CC[NH+]1CCC(C[NH2+][C@H]2C[C@@H](C)n3ncnc32)CC1 ZINC000924955949 618397836 /nfs/dbraw/zinc/39/78/36/618397836.db2.gz VPWJICGYTNIGFC-YPMHNXCESA-N 2 0 263.389 1.605 10 0 CDAERP CC(C)[C@H]1COCC[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000924965235 618473847 /nfs/dbraw/zinc/47/38/47/618473847.db2.gz XGYUUYOYYRDFCU-HUUCEWRRSA-N 2 0 254.418 1.979 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000925011880 618767185 /nfs/dbraw/zinc/76/71/85/618767185.db2.gz NOBVXOSTXNLKAD-IUOOZAAYSA-N 2 0 263.429 1.401 10 0 CDAERP COC(=O)[C@H]1[C@@H](C[NH2+]CC2(N(C)C)CCC2)C1(F)F ZINC000894532688 618944923 /nfs/dbraw/zinc/94/49/23/618944923.db2.gz DNXFHTMSLBLGAO-NXEZZACHSA-N 2 0 276.327 1.115 10 0 CDAERP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000928434462 619076039 /nfs/dbraw/zinc/07/60/39/619076039.db2.gz DTVPPJBTQQSURQ-IJLUTSLNSA-N 2 0 255.406 1.362 10 0 CDAERP COCC[N@@H+](Cc1ocnc1C)CC1CC[NH+](C)CC1 ZINC000895417034 619650638 /nfs/dbraw/zinc/65/06/38/619650638.db2.gz MADGPVGECZCOIA-UHFFFAOYSA-N 2 0 281.400 1.773 10 0 CDAERP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)C1 ZINC000902793799 625410262 /nfs/dbraw/zinc/41/02/62/625410262.db2.gz MFZIJXMYQPFRFU-QKPAOTATSA-N 2 0 293.455 1.742 10 0 CDAERP C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@@H]1c1ccccc1 ZINC000897240734 620436485 /nfs/dbraw/zinc/43/64/85/620436485.db2.gz OSVIPFDWEJDYKA-PMPSAXMXSA-N 2 0 287.407 1.642 10 0 CDAERP COCCCN(C)CC[NH2+][C@H](C1CC1)[C@H]1CCCOC1 ZINC000925144917 620468993 /nfs/dbraw/zinc/46/89/93/620468993.db2.gz RBRQUJSRLYEDBK-JKSUJKDBSA-N 2 0 284.444 1.750 10 0 CDAERP C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@]34CC[NH+](C3)CCC4)C2)C1 ZINC000897851562 621165798 /nfs/dbraw/zinc/16/57/98/621165798.db2.gz CHAIRPJNWKZMLI-IRXDYDNUSA-N 2 0 291.439 1.417 10 0 CDAERP C([NH2+][C@H]1CCOC12CCOCC2)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000924649445 621633256 /nfs/dbraw/zinc/63/32/56/621633256.db2.gz OUFSXAKOGDXZEG-HIFRSBDPSA-N 2 0 280.412 1.398 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000841065157 621643392 /nfs/dbraw/zinc/64/33/92/621643392.db2.gz YFRNRVSDWWAWII-MLGHIDQZSA-N 2 0 272.483 1.954 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+]C2CC3(C2)CO[C@@H](C)C3)CC1 ZINC000924671889 621649112 /nfs/dbraw/zinc/64/91/12/621649112.db2.gz QXHLKHKNHSBFOL-XNIRIUNOSA-N 2 0 295.471 1.560 10 0 CDAERP C[NH+](C)[C@H]1C[C@H](NC(=O)CCCn2ccnc2)C12CCC2 ZINC000898838312 621887397 /nfs/dbraw/zinc/88/73/97/621887397.db2.gz FAORVTJWDPRWBK-KBPBESRZSA-N 2 0 290.411 1.652 10 0 CDAERP C[C@@H](CNC(=[NH2+])N[C@@H](C)C1CC1)[NH+]1CCCCC1 ZINC000899265062 622129224 /nfs/dbraw/zinc/12/92/24/622129224.db2.gz RUNLSFJWCTYYFU-RYUDHWBXSA-N 2 0 252.406 1.773 10 0 CDAERP C[C@@H](NC(=[NH2+])NCC[C@@H]1CCC[N@H+](C)C1)C1CC1 ZINC000899272883 622137996 /nfs/dbraw/zinc/13/79/96/622137996.db2.gz QQSJXPWRJJSLIO-NEPJUHHUSA-N 2 0 252.406 1.631 10 0 CDAERP C[NH+](C)Cc1ccccc1CNC(=O)C12CC[NH+](CC1)C2 ZINC000899990491 622606684 /nfs/dbraw/zinc/60/66/84/622606684.db2.gz LYCNODGPNZGEFA-UHFFFAOYSA-N 2 0 287.407 1.460 10 0 CDAERP C/C(=C\C(=O)N(C)CCCC[NH+](C)C)CN1CCOCC1 ZINC000900767454 623455751 /nfs/dbraw/zinc/45/57/51/623455751.db2.gz BUEJLOIEKMBKMD-FYWRMAATSA-N 2 0 297.443 1.065 10 0 CDAERP CC(C)C[C@H]([NH2+]C[C@@]1(O)CCN(C)C1)C1CCOCC1 ZINC000902954290 625688081 /nfs/dbraw/zinc/68/80/81/625688081.db2.gz UTILZAPOUNLRHS-HOTGVXAUSA-N 2 0 284.444 1.484 10 0 CDAERP C1CCC([NH+]2CCC([NH2+][C@H]3CCO[C@]34CCOC4)CC2)C1 ZINC000903107424 625843601 /nfs/dbraw/zinc/84/36/01/625843601.db2.gz UFSHAEIOWQNKFC-IRXDYDNUSA-N 2 0 294.439 1.931 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCc3ccc(O)cc3CC2)C1 ZINC000903433066 625990632 /nfs/dbraw/zinc/99/06/32/625990632.db2.gz SOWSMKNDZFCOJM-SWLSCSKDSA-N 2 0 260.381 1.920 10 0 CDAERP C[C@@H]1CN(C[C@H]2CCC[N@@H+]2C[C@@H]2CC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000903441997 625996711 /nfs/dbraw/zinc/99/67/11/625996711.db2.gz DZHLZCASWDLPTP-BPKGMFCQSA-N 2 0 295.471 1.687 10 0 CDAERP CCn1cc(CC[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cn1 ZINC000903499653 626009256 /nfs/dbraw/zinc/00/92/56/626009256.db2.gz XRAJNPSKAPUUOO-TZMCWYRMSA-N 2 0 250.390 1.362 10 0 CDAERP FC1(F)C[C@]2(CC[N@H+](C[C@H]3CC[NH2+]C3)C2)C1(F)F ZINC000903490659 626010766 /nfs/dbraw/zinc/01/07/66/626010766.db2.gz BYZPBPCZOJYQRM-UWVGGRQHSA-N 2 0 266.282 1.962 10 0 CDAERP Cc1nc([C@H]2CC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)no1 ZINC000903491222 626010966 /nfs/dbraw/zinc/01/09/66/626010966.db2.gz ZRDTURJQIMIHAP-OLZOCXBDSA-N 2 0 264.373 1.557 10 0 CDAERP [NH3+]CCCCCCN1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903513723 626013426 /nfs/dbraw/zinc/01/34/26/626013426.db2.gz VQSNDYDWQZEUJG-NXEZZACHSA-N 2 0 253.312 1.327 10 0 CDAERP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCO[C@H](C)CC2)cc1 ZINC000903570274 626028283 /nfs/dbraw/zinc/02/82/83/626028283.db2.gz YHLONRRIDXGZDE-UKRRQHHQSA-N 2 0 278.396 1.848 10 0 CDAERP C(C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)OC1CCSCC1 ZINC000903788857 626095212 /nfs/dbraw/zinc/09/52/12/626095212.db2.gz RJERQUXTJKURBS-QWHCGFSZSA-N 2 0 270.442 1.440 10 0 CDAERP C(C[NH2+]C1CC1)CN1CCOC[C@H]1C[C@@H]1CCOC1 ZINC000903824608 626104042 /nfs/dbraw/zinc/10/40/42/626104042.db2.gz RTZQVOQIBSSQOS-DZGCQCFKSA-N 2 0 268.401 1.256 10 0 CDAERP C(CC1CC[NH2+]CC1)C[N@@H+]1CCOC[C@@H]1C[C@H]1CCOC1 ZINC000903825330 626104693 /nfs/dbraw/zinc/10/46/93/626104693.db2.gz YYCUSCQAFVBTMP-SJORKVTESA-N 2 0 296.455 1.894 10 0 CDAERP C[C@H](C1CC1)[N@H+](C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903884131 626132324 /nfs/dbraw/zinc/13/23/24/626132324.db2.gz SIZDQFRFTYIJFN-YPMHNXCESA-N 2 0 263.389 1.433 10 0 CDAERP CC1(C)CN(Cc2cnnn2[C@H]2CCC[NH2+]C2)CCS1 ZINC000903896265 626136485 /nfs/dbraw/zinc/13/64/85/626136485.db2.gz UQMZAIYDYBMMAG-LBPRGKRZSA-N 2 0 295.456 1.530 10 0 CDAERP C[C@H]([N@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1)C1(C)CC1 ZINC000903898898 626137348 /nfs/dbraw/zinc/13/73/48/626137348.db2.gz PBIFYOZDFXPYES-QWHCGFSZSA-N 2 0 277.416 1.823 10 0 CDAERP CO[C@@H]1C[N@H+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)CC[C@@H]1C ZINC000903911082 626144258 /nfs/dbraw/zinc/14/42/58/626144258.db2.gz WIBRDKWIBYPSTN-JGGQBBKZSA-N 2 0 294.443 1.203 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])CN2C[C@@H](C)OC(C)(C)C2)cnn1C ZINC000903919032 626146635 /nfs/dbraw/zinc/14/66/35/626146635.db2.gz KMNKHFCQAYYLMR-OCCSQVGLSA-N 2 0 294.443 1.345 10 0 CDAERP O=C1CCCN1C[C@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903932557 626152460 /nfs/dbraw/zinc/15/24/60/626152460.db2.gz DRGNPRFUWXQRDS-HNSVSWJLSA-N 2 0 291.439 1.461 10 0 CDAERP Nc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903932341 626152527 /nfs/dbraw/zinc/15/25/27/626152527.db2.gz BHDFKOWKVQWLOW-CMPLNLGQSA-N 2 0 255.312 1.828 10 0 CDAERP C[NH+](C)CCC[C@@H]1CN(C[C@@H]([NH3+])CC(F)F)CCO1 ZINC000903933195 626152789 /nfs/dbraw/zinc/15/27/89/626152789.db2.gz LTEMAGBTZIZSMV-NWDGAFQWSA-N 2 0 279.375 1.012 10 0 CDAERP CC(=O)C1CC[NH+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903938080 626155454 /nfs/dbraw/zinc/15/54/54/626155454.db2.gz YZWWTOSSDQYYSV-CQSZACIVSA-N 2 0 292.427 1.147 10 0 CDAERP C[C@H](CC1CCC1)[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903937935 626155957 /nfs/dbraw/zinc/15/59/57/626155957.db2.gz VROLXEKKOKHNTQ-TZMCWYRMSA-N 2 0 277.416 1.871 10 0 CDAERP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]C1CCSCC1 ZINC000903958154 626158100 /nfs/dbraw/zinc/15/81/00/626158100.db2.gz WBSOHOJTVRWOLH-SECBINFHSA-N 2 0 250.358 1.716 10 0 CDAERP CC(C)([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)N1CCCC1 ZINC000903953609 626166176 /nfs/dbraw/zinc/16/61/76/626166176.db2.gz GZKUQOOHKJJXOA-AGUYFDCRSA-N 2 0 279.428 1.508 10 0 CDAERP C[NH+]1CCC(C)(CNC(=[NH2+])NC[C@H]2CCCS2)CC1 ZINC000905051540 626387216 /nfs/dbraw/zinc/38/72/16/626387216.db2.gz YTXRIVLUYUWOAA-GFCCVEGCSA-N 2 0 284.473 1.728 10 0 CDAERP CCN(CCC[NH+](CC)CC)C(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000907663641 627772584 /nfs/dbraw/zinc/77/25/84/627772584.db2.gz KKDIIWVPAFLYOT-GOEBONIOSA-N 2 0 299.459 1.022 10 0 CDAERP CN(CCC[NH+]1CCCC1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000907960427 627927931 /nfs/dbraw/zinc/92/79/31/627927931.db2.gz UHVNVRDHAKPNNL-HZPDHXFCSA-N 2 0 293.455 1.948 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)[NH+](C)C ZINC000911559863 629322236 /nfs/dbraw/zinc/32/22/36/629322236.db2.gz PRYNLAZAGRJRHH-AVGNSLFASA-N 2 0 253.390 1.070 10 0 CDAERP C[NH+]1CCC(CC(=O)N[C@@]2(C)C[NH+]3CCC2CC3)CC1 ZINC000912375327 629972002 /nfs/dbraw/zinc/97/20/02/629972002.db2.gz FIPPZGAEJAAQEV-INIZCTEOSA-N 2 0 279.428 1.319 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CC[C@H]([NH+]3CCC3)C2)CC[N@@H+]1C ZINC000912908676 630275219 /nfs/dbraw/zinc/27/52/19/630275219.db2.gz OWXYZUASCKMXRK-IHRRRGAJSA-N 2 0 265.401 1.023 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912920334 630289858 /nfs/dbraw/zinc/28/98/58/630289858.db2.gz TWGQJSNZSXKLMJ-ZIAGYGMSSA-N 2 0 265.401 1.167 10 0 CDAERP CC[C@H](C(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1)[NH+](C)C ZINC000913269254 630425192 /nfs/dbraw/zinc/42/51/92/630425192.db2.gz ATDSRRJNLRIGFL-BPLDGKMQSA-N 2 0 267.417 1.127 10 0 CDAERP C1CC1[C@@H]1COC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000914435912 631470021 /nfs/dbraw/zinc/47/00/21/631470021.db2.gz MGJTXAGYXOOCGZ-KBXIAJHMSA-N 2 0 250.386 1.628 10 0 CDAERP CCOCC[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001671308602 1158727916 /nfs/dbraw/zinc/72/79/16/1158727916.db2.gz JJRYNNNJFCGOIG-HNNXBMFYSA-N 2 0 297.443 1.088 10 0 CDAERP CCCC[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001266760825 1158805783 /nfs/dbraw/zinc/80/57/83/1158805783.db2.gz NGWWNFVZMQIBDN-AWEZNQCLSA-N 2 0 269.433 1.566 10 0 CDAERP C1CC2(C1)[NH2+]CC[C@@H]2NC1CC([NH+]2CCCCC2)C1 ZINC000925664239 695370898 /nfs/dbraw/zinc/37/08/98/695370898.db2.gz XGYTZAYFOUXMGD-NRXISQOPSA-N 2 0 263.429 1.878 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)NCC2([NH+](C)C)CC2)CC[N@@H+]1C ZINC000923006968 695414135 /nfs/dbraw/zinc/41/41/35/695414135.db2.gz GKFLZXDQKCCBLI-CHWSQXEVSA-N 2 0 282.432 1.205 10 0 CDAERP CCN(CC)C(=O)CCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925597845 695409007 /nfs/dbraw/zinc/40/90/07/695409007.db2.gz OJDGVCSCRYPYNY-STQMWFEESA-N 2 0 267.417 1.495 10 0 CDAERP [NH3+]CCCCCCNC(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000843512883 695417463 /nfs/dbraw/zinc/41/74/63/695417463.db2.gz SZMPBRZHINVAGN-CQSZACIVSA-N 2 0 281.375 1.503 10 0 CDAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[NH+](C)[C@H]2C)C1 ZINC000925327676 695466837 /nfs/dbraw/zinc/46/68/37/695466837.db2.gz QSPHHGZPORENKR-IHRRRGAJSA-N 2 0 282.432 1.062 10 0 CDAERP CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866704304 695807738 /nfs/dbraw/zinc/80/77/38/695807738.db2.gz NGCDKZKSCIFFIC-XEZPLFJOSA-N 2 0 283.460 1.987 10 0 CDAERP CC[NH+](CC)CCN[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000924540504 695816495 /nfs/dbraw/zinc/81/64/95/695816495.db2.gz DUILMOCELYKSBC-HUUCEWRRSA-N 2 0 253.434 1.935 10 0 CDAERP CCCCCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001691171563 1158944052 /nfs/dbraw/zinc/94/40/52/1158944052.db2.gz WMBSGJCENWQNMG-HZPDHXFCSA-N 2 0 295.471 1.957 10 0 CDAERP [NH3+]CCCCCCNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000831299741 696028579 /nfs/dbraw/zinc/02/85/79/696028579.db2.gz UVWVAQYXHPLJSP-OKILXGFUSA-N 2 0 282.432 1.147 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CCCF ZINC001266944057 1159005230 /nfs/dbraw/zinc/00/52/30/1159005230.db2.gz FPHSCJGPDIWFPI-DZGCQCFKSA-N 2 0 299.434 1.847 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C[NH2+]1 ZINC000872309128 695188061 /nfs/dbraw/zinc/18/80/61/695188061.db2.gz QKVHAWWJCZDMTE-LPWJVIDDSA-N 2 0 253.390 1.151 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC1 ZINC000713218930 695230062 /nfs/dbraw/zinc/23/00/62/695230062.db2.gz FWEGAQHLMLTWDL-WWGRRREGSA-N 2 0 279.428 1.447 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCC[C@@H]([C@H](O)c2nccn2C)C1 ZINC000841009142 695233463 /nfs/dbraw/zinc/23/34/63/695233463.db2.gz JCDYKELDABPMFJ-ILXRZTDVSA-N 2 0 294.443 1.539 10 0 CDAERP CC[NH+](CC)[C@H](C)CN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925662287 695282285 /nfs/dbraw/zinc/28/22/85/695282285.db2.gz GNCDHBOLLXEWDM-ARSDKDGVSA-N 2 0 251.418 1.303 10 0 CDAERP C[C@@H](N[C@@H](C)[C@H](C)[NH3+])[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000817978270 695368041 /nfs/dbraw/zinc/36/80/41/695368041.db2.gz ZVSSQVBCVQGOMX-MPTYRVRUSA-N 2 0 291.439 1.601 10 0 CDAERP CC(C)[C@H](C[NH2+]Cc1cc[nH]c(=O)c1)N1CC[NH+](C)CC1 ZINC000921519644 695372016 /nfs/dbraw/zinc/37/20/16/695372016.db2.gz FKDXULSAENJWNB-HNNXBMFYSA-N 2 0 292.427 1.149 10 0 CDAERP [NH3+][C@H]1CC[C@H](C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)CC1 ZINC000870951894 695387662 /nfs/dbraw/zinc/38/76/62/695387662.db2.gz XMHJDOYXOVRNJA-BZUAXINKSA-N 2 0 293.455 1.742 10 0 CDAERP CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1([S@@](C)=O)CCC1 ZINC000926349641 695390716 /nfs/dbraw/zinc/39/07/16/695390716.db2.gz IPMNJMAAAAJUJL-DPTFNWCCSA-N 2 0 270.442 1.217 10 0 CDAERP CC[NH+](CC)C[C@@H](C)N[C@H]1CC[NH2+]C12CCCC2 ZINC000925488909 695399440 /nfs/dbraw/zinc/39/94/40/695399440.db2.gz WBBFEGUNILLLGN-KGLIPLIRSA-N 2 0 253.434 1.981 10 0 CDAERP CCc1ccc(C[NH+]2CCC(O)(C[NH+](C)C)CC2)nc1 ZINC000710564423 695409305 /nfs/dbraw/zinc/40/93/05/695409305.db2.gz YGAZMHKEJJFPAX-UHFFFAOYSA-N 2 0 277.412 1.533 10 0 CDAERP C[N@@H+]1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CCC1(C)C ZINC000712670315 695410053 /nfs/dbraw/zinc/41/00/53/695410053.db2.gz HRGIEFPAISQBJD-NEPJUHHUSA-N 2 0 253.390 1.057 10 0 CDAERP COCCC[NH+]1CCC(N[C@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925575986 695423118 /nfs/dbraw/zinc/42/31/18/695423118.db2.gz ICIWUPPIBYZGGN-HOCLYGCPSA-N 2 0 297.487 1.983 10 0 CDAERP CC[C@H](C)[C@@H]([NH3+])C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000237064990 695459386 /nfs/dbraw/zinc/45/93/86/695459386.db2.gz HZAHKERRMUIAHN-UONOGXRCSA-N 2 0 271.449 1.985 10 0 CDAERP C[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)[C@H]1CCOC1 ZINC000925846747 695473182 /nfs/dbraw/zinc/47/31/82/695473182.db2.gz TUYHXTYYCAZQHR-CABCVRRESA-N 2 0 269.433 1.077 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000713049398 695520378 /nfs/dbraw/zinc/52/03/78/695520378.db2.gz HASCNXYTHBRNRI-MCIONIFRSA-N 2 0 281.444 1.739 10 0 CDAERP C[C@H]([NH2+]C/C=C\C[NH2+][C@@H](C)c1cn[nH]c1)c1cn[nH]c1 ZINC000778141048 695522939 /nfs/dbraw/zinc/52/29/39/695522939.db2.gz SYZHKJDLAGSHJK-WGPFEIJOSA-N 2 0 274.372 1.690 10 0 CDAERP CON1CCC([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000925093299 695523142 /nfs/dbraw/zinc/52/31/42/695523142.db2.gz GYZPUDCJZPAFLM-CQSZACIVSA-N 2 0 297.443 1.103 10 0 CDAERP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NCC(C)(C)C[NH+](C)C ZINC000712992106 695578704 /nfs/dbraw/zinc/57/87/04/695578704.db2.gz XCHIHFDZJYQHHA-GFCCVEGCSA-N 2 0 271.449 1.700 10 0 CDAERP [NH3+]C[C@H]1C[N@H+](CCC2CC[NH2+]CC2)C[C@@H]1C(F)(F)F ZINC000872150392 695601919 /nfs/dbraw/zinc/60/19/19/695601919.db2.gz DYUNSPLLXYIONE-RYUDHWBXSA-N 3 0 279.350 1.445 10 0 CDAERP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1 ZINC000925858578 695621898 /nfs/dbraw/zinc/62/18/98/695621898.db2.gz YOVHWBURBDRALR-JHJVBQTASA-N 2 0 266.385 1.450 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)N(C)CC[C@H]2CCCC[NH+]2C)CC[N@@H+]1C ZINC000925326672 695663338 /nfs/dbraw/zinc/66/33/38/695663338.db2.gz MXOFGGFZPFNIDV-KFWWJZLASA-N 2 0 296.459 1.595 10 0 CDAERP C[C@H](CNC(=[NH2+])N[C@@H]1C[C@@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000864452939 695693816 /nfs/dbraw/zinc/69/38/16/695693816.db2.gz KSVKZLVQIBFVMV-YVECIDJPSA-N 2 0 252.406 1.629 10 0 CDAERP CC(C)([NH2+]C[C@H]1CC2(C[NH2+]C2)CO1)c1nccs1 ZINC000923327765 695707563 /nfs/dbraw/zinc/70/75/63/695707563.db2.gz VPGNNVBFRNMVRW-SNVBAGLBSA-N 2 0 267.398 1.346 10 0 CDAERP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)C[C@H]21 ZINC000861911870 695720012 /nfs/dbraw/zinc/72/00/12/695720012.db2.gz FPLQRGBLULRTJC-VLXAULBPSA-N 2 0 297.418 1.217 10 0 CDAERP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)C[C@@H]([NH3+])C1CC1 ZINC000843506758 695734708 /nfs/dbraw/zinc/73/47/08/695734708.db2.gz FDOZIEYMEUVFID-HUUCEWRRSA-N 2 0 273.380 1.199 10 0 CDAERP COC(=O)/C(C)=C\CN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000705130625 695788690 /nfs/dbraw/zinc/78/86/90/695788690.db2.gz YSKYYEIPKTZFGA-FFXRNRBCSA-N 2 0 254.374 1.379 10 0 CDAERP O[C@H](CC1CCCC1)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000381314650 695796596 /nfs/dbraw/zinc/79/65/96/695796596.db2.gz DQBKLULTNZGMJC-RBSFLKMASA-N 2 0 252.402 1.611 10 0 CDAERP COc1cc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)sn1 ZINC000923492088 695814983 /nfs/dbraw/zinc/81/49/83/695814983.db2.gz VSLISIAPTMAXPJ-VHSXEESVSA-N 2 0 255.387 1.568 10 0 CDAERP C[N@H+](CCNC(=[NH2+])NCCC1CC1)C1CCCC1 ZINC000864459015 695832794 /nfs/dbraw/zinc/83/27/94/695832794.db2.gz YHSJUCWPVSLUCC-UHFFFAOYSA-N 2 0 252.406 1.775 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CC[C@H](C2CC2)O1 ZINC000722315386 695843532 /nfs/dbraw/zinc/84/35/32/695843532.db2.gz WSISSJGZVAWXBL-MELADBBJSA-N 2 0 256.390 1.288 10 0 CDAERP CO[C@@H]1CCC[C@H]([NH2+]C[C@](C)(O)C[NH+](C)C)CC1 ZINC000718789686 695845444 /nfs/dbraw/zinc/84/54/44/695845444.db2.gz MXLWGHXDTNEXTL-MJBXVCDLSA-N 2 0 258.406 1.236 10 0 CDAERP CC(C[NH+]1CC[C@H](O)C1(C)C)C[N@@H+]1CC[C@H](O)C1(C)C ZINC000812868433 695851029 /nfs/dbraw/zinc/85/10/29/695851029.db2.gz VZEFKWNTZRLGFS-KBPBESRZSA-N 2 0 284.444 1.313 10 0 CDAERP C[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923503159 695851781 /nfs/dbraw/zinc/85/17/81/695851781.db2.gz HEOMWMNTRBDYFD-MCIONIFRSA-N 2 0 267.417 1.304 10 0 CDAERP C[NH+](C)C1(CNC2[C@@H]3CC[C@H]2C[N@@H+](C)C3)CCC1 ZINC000926234646 695854031 /nfs/dbraw/zinc/85/40/31/695854031.db2.gz DYHDEONAGSFVBO-PBWFPOADSA-N 2 0 251.418 1.401 10 0 CDAERP C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+](C)CCCCCC[NH3+] ZINC000872155458 695887935 /nfs/dbraw/zinc/88/79/35/695887935.db2.gz SNYFFCAPKMIWQA-ZIAGYGMSSA-N 2 0 285.432 1.121 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2CC3(C2)OCCO3)[C@@H]2CCC[C@@H]21 ZINC000927001966 695888137 /nfs/dbraw/zinc/88/81/37/695888137.db2.gz RBBDLGUFICXXRW-KKUMJFAQSA-N 2 0 280.412 1.602 10 0 CDAERP C[C@@H](C[C@H]1COCCN1)[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925809455 695889191 /nfs/dbraw/zinc/88/91/91/695889191.db2.gz VQPQVKUHJPFVKW-RDJZCZTQSA-N 2 0 297.487 1.903 10 0 CDAERP CCO[C@H](CN[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)C[NH+](C)C ZINC000922757447 695897665 /nfs/dbraw/zinc/89/76/65/695897665.db2.gz GILPWKMCPHYFEG-VNHYZAJKSA-N 2 0 269.433 1.168 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)CC[N@@H+]1C ZINC000923169923 695921882 /nfs/dbraw/zinc/92/18/82/695921882.db2.gz FXNKORMSCWVQCS-AGIUHOORSA-N 2 0 282.432 1.251 10 0 CDAERP C[NH2+]CCCCC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000719679755 695924114 /nfs/dbraw/zinc/92/41/14/695924114.db2.gz QMWOHSDBAXUIOU-UHFFFAOYSA-N 2 0 269.433 1.757 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)C=C2CC[NH2+]CC2)CC[N@@H+]1C ZINC000852871049 695960153 /nfs/dbraw/zinc/96/01/53/695960153.db2.gz ULDRGEMYZSOUBT-OCCSQVGLSA-N 2 0 265.401 1.237 10 0 CDAERP C[N@@H+]1C[C@@]2(C)CN(CCc3ccccn3)C[C@@]2(C)C1 ZINC000931305741 695995836 /nfs/dbraw/zinc/99/58/36/695995836.db2.gz CEHJJJDETFWEHK-IYBDPMFKSA-N 2 0 259.397 1.898 10 0 CDAERP C[N@H+](C[C@@H](O)CC(F)(F)F)C1(C[NH3+])CCCCC1 ZINC000713295670 696035247 /nfs/dbraw/zinc/03/52/47/696035247.db2.gz LNRXLJFAJDUADW-JTQLQIEISA-N 2 0 268.323 1.893 10 0 CDAERP Cc1cc(C[NH2+]CCOCCC[NH3+])cnc1Cl ZINC000863483515 696051107 /nfs/dbraw/zinc/05/11/07/696051107.db2.gz BYJKTUZNJGNGSV-UHFFFAOYSA-N 2 0 257.765 1.498 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@H]2CC[NH2+]C2(C)C)CC1 ZINC000925492438 696056585 /nfs/dbraw/zinc/05/65/85/696056585.db2.gz IQXXAZSUPJTJFY-AWEZNQCLSA-N 3 0 253.434 1.839 10 0 CDAERP C[NH+](C)C[C@@H]1CN(C(=O)Cc2ccoc2)C[C@H]1C[NH+](C)C ZINC000870019577 696065474 /nfs/dbraw/zinc/06/54/74/696065474.db2.gz JGKQZRRTKSXPQL-HUUCEWRRSA-N 2 0 293.411 1.020 10 0 CDAERP C[C@H](CSCCF)[NH2+]C[C@@H]1CN2CCC[C@@H]2CO1 ZINC000850434058 696082142 /nfs/dbraw/zinc/08/21/42/696082142.db2.gz UNGXTEWEGYOYMA-JHJVBQTASA-N 2 0 276.421 1.530 10 0 CDAERP Cn1cncc1CCC[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923447401 696135031 /nfs/dbraw/zinc/13/50/31/696135031.db2.gz RZJXVGPFLNNUCS-HNNXBMFYSA-N 2 0 292.427 1.183 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cc(C)n(C)n2)[C@@H](C)C1 ZINC000926916065 696162133 /nfs/dbraw/zinc/16/21/33/696162133.db2.gz UPWFWLMDNZDRCV-SWLSCSKDSA-N 2 0 264.417 1.591 10 0 CDAERP C[NH+](C)Cc1ccc(-c2noc([C@@H](N)C[NH+](C)C)n2)cc1 ZINC000871784314 696196836 /nfs/dbraw/zinc/19/68/36/696196836.db2.gz ZYSUIOWCCWASAD-ZDUSSCGKSA-N 2 0 289.383 1.360 10 0 CDAERP COc1ccc2c(c1)C[C@@H](CN1C[C@H]3C[NH2+]C[C@H]3C1)O2 ZINC000929312400 696209654 /nfs/dbraw/zinc/20/96/54/696209654.db2.gz JCPJYTLBRFCYGC-GUTXKFCHSA-N 2 0 274.364 1.150 10 0 CDAERP CCOCC[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001670730145 1158751728 /nfs/dbraw/zinc/75/17/28/1158751728.db2.gz SULMNURCUUODII-OAHLLOKOSA-N 2 0 297.443 1.089 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[C@@H]3C[NH+](C)C[C@@H]23)C1 ZINC001649285491 1160730521 /nfs/dbraw/zinc/73/05/21/1160730521.db2.gz ALPYLUADFRYLES-LXTVHRRPSA-N 2 0 294.443 1.110 10 0 CDAERP C[NH+](C)[C@@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)C1(C)C ZINC000864063392 1164502430 /nfs/dbraw/zinc/50/24/30/1164502430.db2.gz JVYUMXNRMZMNPA-FRRDWIJNSA-N 2 0 281.444 1.704 10 0 CDAERP COC(=O)c1cc(C[NH+]2CCC(O)(C[NH3+])CC2)ccc1C ZINC000872145825 1165385850 /nfs/dbraw/zinc/38/58/50/1165385850.db2.gz WLZUJRYIRZFTLG-UHFFFAOYSA-N 2 0 292.379 1.067 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)NC[C@H]2CC[N@H+](C)C2)C1 ZINC001625288001 1165897565 /nfs/dbraw/zinc/89/75/65/1165897565.db2.gz LCOAXUSCOWNGKA-RDBSUJKOSA-N 2 0 267.417 1.175 10 0 CDAERP CC[NH+]1CCC(NC(=O)CC[N@@H+]2CC[C@H](F)C2)CC1 ZINC001361731872 1167520942 /nfs/dbraw/zinc/52/09/42/1167520942.db2.gz NRLQEVNYDSUEJZ-LBPRGKRZSA-N 2 0 271.380 1.021 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CCF)C1 ZINC001568294141 1169229492 /nfs/dbraw/zinc/22/94/92/1169229492.db2.gz UHIPLNYAWGZUMR-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP O=C(C[NH+]1CCCC1)NC/C=C/C[NH2+]C/C=C\Cl ZINC001568964245 1169565735 /nfs/dbraw/zinc/56/57/35/1169565735.db2.gz PNGFIRPNYVWUCF-NRUGGMJCSA-N 2 0 271.792 1.097 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC2CC2)[C@@H](C)C1 ZINC001570364038 1170143052 /nfs/dbraw/zinc/14/30/52/1170143052.db2.gz MGKQKXHECCYYDV-JSGCOSHPSA-N 2 0 267.417 1.173 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CCCF ZINC001570653811 1170223857 /nfs/dbraw/zinc/22/38/57/1170223857.db2.gz WJQAJFYWJYRIOS-NEPJUHHUSA-N 2 0 261.385 1.169 10 0 CDAERP CC/C=C/CC[N@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001663185440 1172653503 /nfs/dbraw/zinc/65/35/03/1172653503.db2.gz XMUWNBHTXVTZED-DWTRPJMMSA-N 2 0 293.455 1.733 10 0 CDAERP CC/C=C/CC[N@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001663185438 1172654194 /nfs/dbraw/zinc/65/41/94/1172654194.db2.gz XMUWNBHTXVTZED-APHBUQMISA-N 2 0 293.455 1.733 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N(C)CCCC[NH+](C)C ZINC001586665072 1172954948 /nfs/dbraw/zinc/95/49/48/1172954948.db2.gz YKVJRYJCSWFNQX-ZDUSSCGKSA-N 2 0 257.422 1.374 10 0 CDAERP CC(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CCF)[NH+](C)C ZINC001666454122 1173137025 /nfs/dbraw/zinc/13/70/25/1173137025.db2.gz UAIXPLKZYNBCJY-CHWSQXEVSA-N 2 0 273.396 1.123 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]C/C=C\Cl)C1 ZINC001674554992 1173962408 /nfs/dbraw/zinc/96/24/08/1173962408.db2.gz WRHGBHCIROHDOM-ZWDWZPANSA-N 2 0 299.846 1.708 10 0 CDAERP C[C@@H]([NH2+]CC1CC1)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001674722566 1173998540 /nfs/dbraw/zinc/99/85/40/1173998540.db2.gz OUFIKHWDHCHCPQ-NEPJUHHUSA-N 2 0 255.406 1.221 10 0 CDAERP CC(C)OCC[NH2+][C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001690634289 1175531098 /nfs/dbraw/zinc/53/10/98/1175531098.db2.gz VEFYHXSJTPRZRA-OAHLLOKOSA-N 2 0 299.459 1.238 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001690734446 1175558781 /nfs/dbraw/zinc/55/87/81/1175558781.db2.gz DXVJVYXMPHOMQG-OLZOCXBDSA-N 2 0 273.396 1.124 10 0 CDAERP CC/C=C/CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001690879357 1175597116 /nfs/dbraw/zinc/59/71/16/1175597116.db2.gz GFSWLKWMFXVLKN-XEVLESSRSA-N 2 0 281.444 1.779 10 0 CDAERP CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@H+](C)CCC ZINC001691854540 1175638211 /nfs/dbraw/zinc/63/82/11/1175638211.db2.gz JTWODYJHTGMQDE-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H](C[NH2+]CCF)C1 ZINC001692084172 1175674881 /nfs/dbraw/zinc/67/48/81/1175674881.db2.gz WZHGPDWOFXDNLC-KGLIPLIRSA-N 2 0 299.434 1.514 10 0 CDAERP CC(C)[NH2+]C1(CNC(=O)C[N@H+](C)C(C)C)CCCC1 ZINC001698804977 1175939419 /nfs/dbraw/zinc/93/94/19/1175939419.db2.gz XHHNOOLZELQBSU-UHFFFAOYSA-N 2 0 269.433 1.754 10 0 CDAERP CCCCC[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001698845706 1175960743 /nfs/dbraw/zinc/96/07/43/1175960743.db2.gz NLTQDICQRSNZJQ-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CCCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001698947888 1175992637 /nfs/dbraw/zinc/99/26/37/1175992637.db2.gz BJSFXKNDBCAEDZ-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)CC[NH2+]CCF)C1 ZINC001699129721 1176105626 /nfs/dbraw/zinc/10/56/26/1176105626.db2.gz IYWNLLAZYKQAQI-KBPBESRZSA-N 2 0 287.423 1.562 10 0 CDAERP CCC[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001699653380 1176550839 /nfs/dbraw/zinc/55/08/39/1176550839.db2.gz FZMNIXXJXKBWNW-ZDUSSCGKSA-N 2 0 267.417 1.509 10 0 CDAERP CCCCC[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CCC1 ZINC001700142095 1176768384 /nfs/dbraw/zinc/76/83/84/1176768384.db2.gz OGRUEAYDYFMZQF-UHFFFAOYSA-N 2 0 293.455 1.901 10 0 CDAERP CC/C=C\CC[NH2+]C1(CNC(=O)Cc2ncc[nH]2)CCC1 ZINC001700142152 1176768820 /nfs/dbraw/zinc/76/88/20/1176768820.db2.gz VOAJIBQMSOCCFP-ARJAWSKDSA-N 2 0 290.411 1.937 10 0 CDAERP CC(C)[NH2+][C@H](C)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001700400360 1176906659 /nfs/dbraw/zinc/90/66/59/1176906659.db2.gz LXILDPMHDONHPW-NEPJUHHUSA-N 2 0 255.406 1.362 10 0 CDAERP CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001700429996 1176924791 /nfs/dbraw/zinc/92/47/91/1176924791.db2.gz JEBSDKQGFPZIEA-QWHCGFSZSA-N 2 0 255.406 1.365 10 0 CDAERP CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001700661950 1177063532 /nfs/dbraw/zinc/06/35/32/1177063532.db2.gz KOOIQPIFWIXNHV-JSGCOSHPSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@H](F)CC[NH2+][C@@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001700767292 1177122143 /nfs/dbraw/zinc/12/21/43/1177122143.db2.gz KUIYXKJQBBVUDV-RYUDHWBXSA-N 2 0 261.385 1.123 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCC1CC1 ZINC001700777921 1177128559 /nfs/dbraw/zinc/12/85/59/1177128559.db2.gz SISMTIFMKHEVOT-JSGCOSHPSA-N 2 0 267.417 1.175 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@@H]1CC[C@@H](C[NH2+]C/C=C\Cl)C1 ZINC001700914494 1177195006 /nfs/dbraw/zinc/19/50/06/1177195006.db2.gz YWHDNTYYPULVHQ-CRHJNNSXSA-N 2 0 299.846 1.709 10 0 CDAERP CC/C=C\CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001723498789 1178126525 /nfs/dbraw/zinc/12/65/25/1178126525.db2.gz ANKFWQLKALTNCO-ZRUQZJFASA-N 2 0 279.428 1.675 10 0 CDAERP CCCCC[NH2+]C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001723976074 1178136593 /nfs/dbraw/zinc/13/65/93/1178136593.db2.gz GTPJSDUIWCDZLO-HNNXBMFYSA-N 2 0 281.444 1.853 10 0 CDAERP CC(C)C[N@H+](CCCNC(=O)C[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001713048059 1178330356 /nfs/dbraw/zinc/33/03/56/1178330356.db2.gz KDNFVLZRVNGJBK-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001713245590 1178449459 /nfs/dbraw/zinc/44/94/59/1178449459.db2.gz IYWFCSQPYYJIQG-KGLIPLIRSA-N 2 0 267.417 1.176 10 0 CDAERP C[C@@H](O)C[NH2+]C[C@@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001713267921 1178461125 /nfs/dbraw/zinc/46/11/25/1178461125.db2.gz KJFUQJHLXMLFGJ-CABCVRRESA-N 2 0 299.459 1.070 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@H]2CCC[C@H]([NH2+]CCCF)C2)CCC1 ZINC001713375447 1178527298 /nfs/dbraw/zinc/52/72/98/1178527298.db2.gz QGGAKRDONVEXTM-KBPBESRZSA-N 2 0 299.434 1.847 10 0 CDAERP COCCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001713789687 1178753574 /nfs/dbraw/zinc/75/35/74/1178753574.db2.gz NEHGZKGRHOGYHV-CQSZACIVSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@@H](F)CC[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001714152005 1178992830 /nfs/dbraw/zinc/99/28/30/1178992830.db2.gz VIPMAAWZTIUERX-ZIAGYGMSSA-N 2 0 299.434 1.705 10 0 CDAERP CC(C)=CC[NH2+]C[C@](C)(NC(=O)CC[NH+](C)C)C1CC1 ZINC001714171175 1179000165 /nfs/dbraw/zinc/00/01/65/1179000165.db2.gz CENUYXWRAJITNU-INIZCTEOSA-N 2 0 281.444 1.779 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001714362252 1179105492 /nfs/dbraw/zinc/10/54/92/1179105492.db2.gz RSEXKPMIUIRBEY-KGLIPLIRSA-N 2 0 299.434 1.514 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CCF ZINC001714395039 1179122024 /nfs/dbraw/zinc/12/20/24/1179122024.db2.gz ABXXONPSGBIFQR-CHWSQXEVSA-N 2 0 273.396 1.172 10 0 CDAERP CCCCC[N@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001714561731 1179217866 /nfs/dbraw/zinc/21/78/66/1179217866.db2.gz WAAOWOVYAGYHTA-AWEZNQCLSA-N 2 0 269.433 1.566 10 0 CDAERP CCOCC[NH2+]CCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001714725053 1179358883 /nfs/dbraw/zinc/35/88/83/1179358883.db2.gz RGLFUUSNMZJDCP-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CCC[NH2+]CCN(C)C(=O)[C@H](C)Cc1c[nH]cn1 ZINC001714767775 1179387386 /nfs/dbraw/zinc/38/73/86/1179387386.db2.gz NQJPPPOBQNQFIX-LLVKDONJSA-N 2 0 252.362 1.046 10 0 CDAERP CC(C)C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)C(C)C ZINC001714831297 1179414273 /nfs/dbraw/zinc/41/42/73/1179414273.db2.gz XYHHJCLYAWCMGR-OAHLLOKOSA-N 2 0 283.460 1.811 10 0 CDAERP CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CCOC(C)C ZINC001715071225 1179539473 /nfs/dbraw/zinc/53/94/73/1179539473.db2.gz IYXBNXQMTFDQAU-HNNXBMFYSA-N 2 0 299.459 1.238 10 0 CDAERP CCC[NH2+]C[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001715257787 1179599888 /nfs/dbraw/zinc/59/98/88/1179599888.db2.gz RBMQEQASZMJQDC-ZDUSSCGKSA-N 2 0 269.433 1.470 10 0 CDAERP CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]C/C=C/Cl)[NH+](C)C ZINC001715362371 1179642845 /nfs/dbraw/zinc/64/28/45/1179642845.db2.gz LQTWECYKZXAPOR-LASXONHFSA-N 2 0 275.824 1.516 10 0 CDAERP C[C@H](CC[NH2+]CCF)NC(=O)CC1CC[NH+](C)CC1 ZINC001715683649 1179763316 /nfs/dbraw/zinc/76/33/16/1179763316.db2.gz ICXPFSOVDKVTFZ-GFCCVEGCSA-N 2 0 273.396 1.172 10 0 CDAERP CC(C)CC[NH2+]C/C=C/CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001715874182 1179888444 /nfs/dbraw/zinc/88/84/44/1179888444.db2.gz OIECDHPVZUXOIH-MBVDDHJVSA-N 2 0 281.444 1.636 10 0 CDAERP O=C(NC/C=C\C[NH2+]Cc1ccccc1)C12CC[NH+](CC1)C2 ZINC001715895547 1179902273 /nfs/dbraw/zinc/90/22/73/1179902273.db2.gz QPGZQNGJAQSIFL-PLNGDYQASA-N 2 0 299.418 1.544 10 0 CDAERP C[C@@H](C[NH2+]CC1=CCCCC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001715968475 1179949204 /nfs/dbraw/zinc/94/92/04/1179949204.db2.gz BXJDMCJMZIRNOI-ZFWWWQNUSA-N 2 0 279.428 1.675 10 0 CDAERP C[C@@H](C[NH2+]CCC(F)(F)F)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001715975787 1179956855 /nfs/dbraw/zinc/95/68/55/1179956855.db2.gz FQXKLROKHCIBIV-HBNTYKKESA-N 2 0 295.349 1.373 10 0 CDAERP CC[NH2+]C[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001715982820 1179963821 /nfs/dbraw/zinc/96/38/21/1179963821.db2.gz MGSUEJKYDUHVCS-LBPRGKRZSA-N 2 0 269.433 1.754 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CCCF)CC1 ZINC001716068455 1180030500 /nfs/dbraw/zinc/03/05/00/1180030500.db2.gz ZYXWOLVAMIPLGU-ZIAGYGMSSA-N 2 0 299.434 1.562 10 0 CDAERP CC(C)[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001716168705 1180081295 /nfs/dbraw/zinc/08/12/95/1180081295.db2.gz QNSIKHIUUUPJOX-IHRRRGAJSA-N 2 0 269.433 1.610 10 0 CDAERP C[C@@H](CC[NH2+]CC1CC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001716188170 1180089532 /nfs/dbraw/zinc/08/95/32/1180089532.db2.gz YKXACDAMWBKNQQ-GXTWGEPZSA-N 2 0 267.417 1.223 10 0 CDAERP CCCC[NH2+]C/C=C/CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001716295302 1180146410 /nfs/dbraw/zinc/14/64/10/1180146410.db2.gz MYEMPDLXHVALMG-RGDDUWESSA-N 2 0 279.428 1.390 10 0 CDAERP C[C@@H](C[NH2+]CCF)NC(=O)c1sccc1C[NH+](C)C ZINC001716439518 1180211081 /nfs/dbraw/zinc/21/10/81/1180211081.db2.gz RDSRZVSMYYYYKP-JTQLQIEISA-N 2 0 287.404 1.487 10 0 CDAERP CCC[NH2+]C[C@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001716440917 1180211894 /nfs/dbraw/zinc/21/18/94/1180211894.db2.gz XYQBREUMYGKZOW-STQMWFEESA-N 2 0 255.406 1.365 10 0 CDAERP CN(CCC[NH2+]Cc1cccnc1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001716532430 1180273347 /nfs/dbraw/zinc/27/33/47/1180273347.db2.gz KMBIADTVRBVNLE-HNNXBMFYSA-N 2 0 290.411 1.114 10 0 CDAERP CCCC[NH2+]CCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001716552474 1180281672 /nfs/dbraw/zinc/28/16/72/1180281672.db2.gz KFYHXEPXNAGJBA-UHFFFAOYSA-N 2 0 281.444 1.853 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001716765062 1180405855 /nfs/dbraw/zinc/40/58/55/1180405855.db2.gz SQYXWJZWNODNKG-KGLIPLIRSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001716782266 1180412126 /nfs/dbraw/zinc/41/21/26/1180412126.db2.gz ZQGHTUSDPBFZSV-LSDHHAIUSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001716789562 1180416305 /nfs/dbraw/zinc/41/63/05/1180416305.db2.gz AZRZIPQIWLIGEH-KBPBESRZSA-N 2 0 267.417 1.175 10 0 CDAERP CCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001717077066 1180524391 /nfs/dbraw/zinc/52/43/91/1180524391.db2.gz VNTIOSAZIYAKEH-KBPBESRZSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CCCCCF ZINC001717285306 1180604612 /nfs/dbraw/zinc/60/46/12/1180604612.db2.gz AEQKQRJQLWHWQD-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)=CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001717497871 1180712120 /nfs/dbraw/zinc/71/21/20/1180712120.db2.gz JLNXIYXOYCVLIV-UONOGXRCSA-N 2 0 267.417 1.341 10 0 CDAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CCC[NH2+]CCF ZINC001723204964 1181526003 /nfs/dbraw/zinc/52/60/03/1181526003.db2.gz TZHPTMYAPSHZLO-STQMWFEESA-N 2 0 273.396 1.267 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001723448352 1181565430 /nfs/dbraw/zinc/56/54/30/1181565430.db2.gz ZQMAHYXLZGJHSD-ZYOQUQOHSA-N 2 0 279.428 1.627 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001723906585 1181622843 /nfs/dbraw/zinc/62/28/43/1181622843.db2.gz TUGJMAARQWPGPD-GJZGRUSLSA-N 2 0 281.444 1.851 10 0 CDAERP CCC[NH2+][C@H](C)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001725132286 1181877750 /nfs/dbraw/zinc/87/77/50/1181877750.db2.gz WCMIPIPZJRBIDK-KGLIPLIRSA-N 2 0 269.433 1.755 10 0 CDAERP CC1CC(C[N@H+](C)CCCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001731262610 1182282167 /nfs/dbraw/zinc/28/21/67/1182282167.db2.gz LZJYNPVDWNNHDK-UHFFFAOYSA-N 2 0 295.471 1.812 10 0 CDAERP CC/C=C/CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001731564105 1182450753 /nfs/dbraw/zinc/45/07/53/1182450753.db2.gz MBRXBAAQHLQAEP-IGKISWCISA-N 2 0 293.455 1.731 10 0 CDAERP CC[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001731640420 1182495991 /nfs/dbraw/zinc/49/59/91/1182495991.db2.gz NDHIPVFERABPAI-OLZOCXBDSA-N 2 0 255.406 1.221 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001731639563 1182496548 /nfs/dbraw/zinc/49/65/48/1182496548.db2.gz IEIFOLWSXPCXMU-HNNXBMFYSA-N 2 0 281.444 1.923 10 0 CDAERP C[C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCOC1CCC1 ZINC001731723805 1182533296 /nfs/dbraw/zinc/53/32/96/1182533296.db2.gz NQDBJRXGXTWRRD-UKRRQHHQSA-N 2 0 297.443 1.134 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CCCF ZINC001731724586 1182534563 /nfs/dbraw/zinc/53/45/63/1182534563.db2.gz ATAAMKVGBAOLIX-KGLIPLIRSA-N 2 0 287.423 1.703 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]C/C=C/Cl)C1 ZINC001731952567 1182697593 /nfs/dbraw/zinc/69/75/93/1182697593.db2.gz RFUDLPHIBIQXHY-PYEVWLCESA-N 2 0 273.808 1.129 10 0 CDAERP CC(C)C[NH+]1CC(NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001732119251 1182780810 /nfs/dbraw/zinc/78/08/10/1182780810.db2.gz NVLUWFYSLYVLOX-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CCF ZINC001732620453 1183051877 /nfs/dbraw/zinc/05/18/77/1183051877.db2.gz OWYBJQZOFFRDGF-OLZOCXBDSA-N 2 0 273.396 1.172 10 0 CDAERP CC[NH2+]CC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001732754937 1183109843 /nfs/dbraw/zinc/10/98/43/1183109843.db2.gz PUAUMJDTTPQKKQ-ZIAGYGMSSA-N 2 0 269.433 1.611 10 0 CDAERP CCCCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001733069875 1183276352 /nfs/dbraw/zinc/27/63/52/1183276352.db2.gz ZNGLCRRIPPOIQR-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001734217724 1183694118 /nfs/dbraw/zinc/69/41/18/1183694118.db2.gz MXDCDEMDAWFTBT-SHTZXODSSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)[NH2+]CCC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001734258308 1183706567 /nfs/dbraw/zinc/70/65/67/1183706567.db2.gz CIXMWDWPLKQZNC-UONOGXRCSA-N 2 0 269.433 1.611 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H](C)C1CC[NH+](CC)CC1 ZINC001734587532 1183835502 /nfs/dbraw/zinc/83/55/02/1183835502.db2.gz OSDAJEIAWFNBAV-ZDUSSCGKSA-N 2 0 269.433 1.565 10 0 CDAERP [NH3+][C@@H]1CCc2ncc(NC(=O)[C@H]3CCCC[C@@H]3[NH3+])cc2C1 ZINC001771750617 1186857341 /nfs/dbraw/zinc/85/73/41/1186857341.db2.gz PRXNUUBCLAACHZ-XBFCOCLRSA-N 2 0 288.395 1.354 10 0 CDAERP CC(C)C[NH2+]CC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC001771751918 1186858869 /nfs/dbraw/zinc/85/88/69/1186858869.db2.gz VPNDSIFZQQOYFH-UHFFFAOYSA-N 2 0 293.455 1.502 10 0 CDAERP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2[NH2+]CC[C@H]3CCCC[C@@H]32)C1 ZINC000383700964 1187266756 /nfs/dbraw/zinc/26/67/56/1187266756.db2.gz CJMNYLOGXUGZLV-APIJFGDWSA-N 2 0 279.428 1.223 10 0 CDAERP CCC[NH+]1CCC([NH2+][C@H]2CC=C(C(=O)OC)C2)CC1 ZINC000858474627 725318401 /nfs/dbraw/zinc/31/84/01/725318401.db2.gz CGLCCOCFIPRVRH-AWEZNQCLSA-N 2 0 266.385 1.712 10 0 CDAERP CC1CC[NH+](CCCNC(=[NH2+])N2CCO[C@@H](C)C2)CC1 ZINC000848982596 725372651 /nfs/dbraw/zinc/37/26/51/725372651.db2.gz HIUPEMXAOGQGTF-AWEZNQCLSA-N 2 0 282.432 1.353 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000852868816 724391385 /nfs/dbraw/zinc/39/13/85/724391385.db2.gz VKSJMNGIGXKYIF-CQSZACIVSA-N 2 0 267.417 1.350 10 0 CDAERP C[C@@H]1[C@H](NC(=O)NCC[C@H]2CCC[NH+](C)C2)CC[N@@H+]1C ZINC000922852310 724393708 /nfs/dbraw/zinc/39/37/08/724393708.db2.gz JUWFDHMDJGDHGI-MGPQQGTHSA-N 2 0 282.432 1.110 10 0 CDAERP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925609294 724412423 /nfs/dbraw/zinc/41/24/23/724412423.db2.gz RZTHRJYOWTWVPY-GJZGRUSLSA-N 3 0 281.444 1.098 10 0 CDAERP COc1cccc([C@H](O)C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925575562 724415666 /nfs/dbraw/zinc/41/56/66/724415666.db2.gz WBHBGMVUXMFNGI-ILXRZTDVSA-N 2 0 276.380 1.588 10 0 CDAERP COCC[N@H+](CC[C@@H]1CC[NH2+]C1)CC1CC[NH+](C)CC1 ZINC000866673258 724423351 /nfs/dbraw/zinc/42/33/51/724423351.db2.gz SBRYKYXORUPMFR-HNNXBMFYSA-N 3 0 283.460 1.276 10 0 CDAERP C[C@@]1(C(F)(F)F)CC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000709637163 724436016 /nfs/dbraw/zinc/43/60/16/724436016.db2.gz BPBCVGHFKUGXHP-LLVKDONJSA-N 2 0 265.323 1.166 10 0 CDAERP CC1(C)CC[C@H](C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)OC1 ZINC000713597212 723693043 /nfs/dbraw/zinc/69/30/43/723693043.db2.gz RSHBVNPMBQIDLU-CRWXNKLISA-N 2 0 252.402 1.861 10 0 CDAERP Cc1cc([C@H]([NH3+])CC(=O)NC[C@H]2C[C@@H]([NH3+])C2)cc(Cl)n1 ZINC000870964468 723694250 /nfs/dbraw/zinc/69/42/50/723694250.db2.gz FOAZXZPVVNNYSQ-ADEWGFFLSA-N 2 0 296.802 1.287 10 0 CDAERP C[C@@H]1OC[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)[C@@H]1C ZINC000924711134 723697518 /nfs/dbraw/zinc/69/75/18/723697518.db2.gz FSRLJWAMWBNZBP-TYNCELHUSA-N 2 0 252.402 1.874 10 0 CDAERP C([NH2+][C@H]1CC[NH2+]C12CCCC2)[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925726527 723701408 /nfs/dbraw/zinc/70/14/08/723701408.db2.gz JDNKXJXXVHQFND-XGUBFFRZSA-N 3 0 263.429 1.781 10 0 CDAERP CC(C)[C@@H](C(=O)NC1CCC(C)([NH+](C)C)CC1)[NH+](C)C ZINC000871358403 723704247 /nfs/dbraw/zinc/70/42/47/723704247.db2.gz UFLOAJFRQVNACY-BBBYJDLNSA-N 2 0 283.460 1.952 10 0 CDAERP Cc1cc([C@H]([NH3+])CC(=O)N2CC[NH2+][C@@H](C)C2)cc(Cl)n1 ZINC000841848350 723713031 /nfs/dbraw/zinc/71/30/31/723713031.db2.gz GBWBXVFPHNMUSZ-CMPLNLGQSA-N 2 0 296.802 1.254 10 0 CDAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CC(=O)N(CC2CC2)C1 ZINC000925770244 723714182 /nfs/dbraw/zinc/71/41/82/723714182.db2.gz ICTVKTBIAIXIPO-VNQPRFMTSA-N 2 0 293.455 1.898 10 0 CDAERP COc1ccccc1[C@H](O)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000848718156 723714445 /nfs/dbraw/zinc/71/44/45/723714445.db2.gz YUIAMKOJXUVROL-MBNYWOFBSA-N 2 0 264.369 1.588 10 0 CDAERP C[NH+](C)CC1CCN(C(=O)[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000711270898 723754430 /nfs/dbraw/zinc/75/44/30/723754430.db2.gz DNVQZRXXYTZHLC-CYBMUJFWSA-N 2 0 267.417 1.032 10 0 CDAERP CCCCCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](C)[C@H]1C ZINC000928436754 723742132 /nfs/dbraw/zinc/74/21/32/723742132.db2.gz ADSZFUWQVRDWRI-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000722395955 723750102 /nfs/dbraw/zinc/75/01/02/723750102.db2.gz PKCSFHFFMNXNII-DOLQZWNJSA-N 2 0 266.307 1.812 10 0 CDAERP CC[N@@H+]1CC[C@H](N[C@H]2CC[NH+](CC(C)(C)O)C2)[C@H](C)C1 ZINC000866411483 723762101 /nfs/dbraw/zinc/76/21/01/723762101.db2.gz NHMZKJWMXFDWCC-ILXRZTDVSA-N 2 0 283.460 1.152 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCOc2cccnc2)C1 ZINC000925488783 723763933 /nfs/dbraw/zinc/76/39/33/723763933.db2.gz LJMSPWSSKDYAQI-QWHCGFSZSA-N 2 0 263.385 1.956 10 0 CDAERP Cc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c(C)nn1 ZINC000720607347 723772723 /nfs/dbraw/zinc/77/27/23/723772723.db2.gz QVHGLVMSJBCXFV-NVBFEUDRSA-N 2 0 262.401 1.899 10 0 CDAERP CC1(C)C[C@@H]([NH2+]CC2(S(C)(=O)=O)CC2)C[C@@H]([NH3+])C1 ZINC000925664334 723774541 /nfs/dbraw/zinc/77/45/41/723774541.db2.gz YBQYSEOKAPNCEP-MNOVXSKESA-N 2 0 274.430 1.059 10 0 CDAERP CCc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)[nH]n1 ZINC000796763002 723796769 /nfs/dbraw/zinc/79/67/69/723796769.db2.gz RJLZRPYFQXLVIF-RBSFLKMASA-N 2 0 262.401 1.935 10 0 CDAERP Cc1cc([C@@H]([NH3+])CC(=O)NCC[C@H](C)[NH3+])cc(Cl)n1 ZINC000832565127 723798102 /nfs/dbraw/zinc/79/81/02/723798102.db2.gz JOJIIADIHGFQLX-KWQFWETISA-N 2 0 284.791 1.287 10 0 CDAERP COC[C@@H](C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1)C(C)C ZINC000929982405 723844800 /nfs/dbraw/zinc/84/48/00/723844800.db2.gz TYBMQFGISZCBLN-IAGOWNOFSA-N 2 0 297.487 1.617 10 0 CDAERP C[C@H]1C[N@H+](CC(=O)NCc2ccccc2F)CC[C@H]1C[NH3+] ZINC000923499694 723848790 /nfs/dbraw/zinc/84/87/90/723848790.db2.gz NKDKEHSYPKGQEN-STQMWFEESA-N 2 0 293.386 1.359 10 0 CDAERP CN(C)C(=O)CC[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705848 723853931 /nfs/dbraw/zinc/85/39/31/723853931.db2.gz CPWMNSJTNMJMNI-AWEZNQCLSA-N 2 0 255.406 1.162 10 0 CDAERP C[NH+](C)CC1(O)CC[NH+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CC1 ZINC000931479711 723859927 /nfs/dbraw/zinc/85/99/27/723859927.db2.gz ZPXICCUSLGNLHJ-CLLJXQQHSA-N 2 0 288.382 1.666 10 0 CDAERP [NH2+]=C(NC[C@@H]1CCC[N@H+]1CCCO)NC1CCCCC1 ZINC000849034483 723878264 /nfs/dbraw/zinc/87/82/64/723878264.db2.gz WFIKSXFMKHGITC-AWEZNQCLSA-N 2 0 282.432 1.280 10 0 CDAERP COC(=O)[C@]12C[C@H]1CCC[N@@H+]2CCC1CC[NH2+]CC1 ZINC000923551322 723887439 /nfs/dbraw/zinc/88/74/39/723887439.db2.gz MQSMYSHUFLMLCT-HIFRSBDPSA-N 2 0 266.385 1.404 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1c2ccccc2[C@@H]([NH3+])C1(C)C ZINC000867988983 723842679 /nfs/dbraw/zinc/84/26/79/723842679.db2.gz YUBXZLIQXQDTNV-MISXGVKJSA-N 2 0 273.380 1.810 10 0 CDAERP C[NH+]1CCN(CCC[NH2+][C@H]2CCOC23CCCCC3)CC1 ZINC000924579505 723925280 /nfs/dbraw/zinc/92/52/80/723925280.db2.gz XNLWZOQXQLQEFQ-INIZCTEOSA-N 2 0 295.471 1.705 10 0 CDAERP O=C1OCC[C@H]1CCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925727656 724039524 /nfs/dbraw/zinc/03/95/24/724039524.db2.gz AWUJHTBWTIXXTR-VXGBXAGGSA-N 2 0 252.358 1.204 10 0 CDAERP CC(C)C(=O)NCC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925507986 724056315 /nfs/dbraw/zinc/05/63/15/724056315.db2.gz DUXAMZNVBVLALH-HUUCEWRRSA-N 2 0 281.444 1.517 10 0 CDAERP COCC[N@H+](C)CCC[NH2+][C@H](C1CCC1)[C@H]1CCOC1 ZINC000924652515 724075716 /nfs/dbraw/zinc/07/57/16/724075716.db2.gz ATACBEFYHHMAIV-JKSUJKDBSA-N 2 0 284.444 1.750 10 0 CDAERP COC[C@H](C[N@@H+]1C[C@H](OC)C[C@]1(C)C[NH3+])C(C)C ZINC000721912903 724125152 /nfs/dbraw/zinc/12/51/52/724125152.db2.gz FGTHLOLGPBSHGL-BFHYXJOUSA-N 2 0 258.406 1.343 10 0 CDAERP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000718364105 724217521 /nfs/dbraw/zinc/21/75/21/724217521.db2.gz PIYIANRDPHCLFB-RBSFLKMASA-N 2 0 270.417 1.380 10 0 CDAERP c1cnc2cccc(CN3CC[NH2+]CC[NH2+]CC3)c2c1 ZINC000923460076 724221067 /nfs/dbraw/zinc/22/10/67/724221067.db2.gz LFMSQVWBMQDNBX-UHFFFAOYSA-N 2 0 270.380 1.230 10 0 CDAERP C[C@H]1C[N@H+](CC2(O)CCC2)CCN1c1cc[nH+]cc1 ZINC000880257902 724304297 /nfs/dbraw/zinc/30/42/97/724304297.db2.gz AOVVDOVTZWJKGP-ZDUSSCGKSA-N 2 0 261.369 1.507 10 0 CDAERP C[C@@H]1[C@H](NC(=O)N(C)C[C@@H]2CCC[NH+](C)C2)CC[N@@H+]1C ZINC000925329589 724335664 /nfs/dbraw/zinc/33/56/64/724335664.db2.gz PTXHQNSEFKGHRR-MGPQQGTHSA-N 2 0 282.432 1.062 10 0 CDAERP C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)[N@@H+]1CCC[NH+]1CCCCC1 ZINC000930910843 724340845 /nfs/dbraw/zinc/34/08/45/724340845.db2.gz JGKFACSPZDUWAW-KFWWJZLASA-N 2 0 281.444 1.837 10 0 CDAERP C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)[C@@H]1CCC[NH2+]1 ZINC000715573365 724448052 /nfs/dbraw/zinc/44/80/52/724448052.db2.gz QFJAMSCRIITDTR-JLVJUDLZSA-N 3 0 253.434 1.979 10 0 CDAERP CCN(CC)C(=O)[C@H](C)[N@H+](C)CCCCCC[NH3+] ZINC000710782396 724454273 /nfs/dbraw/zinc/45/42/73/724454273.db2.gz UYOHEOYMCGDPEL-ZDUSSCGKSA-N 2 0 257.422 1.694 10 0 CDAERP CCCC[C@H](COC)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925857010 724459307 /nfs/dbraw/zinc/45/93/07/724459307.db2.gz YTUNMAWLHNLBLC-KGLIPLIRSA-N 2 0 298.427 1.467 10 0 CDAERP CC(C)CO[C@H]1C[C@H]([NH2+]CCN2CCC([NH3+])CC2)C1(C)C ZINC000925813357 724499298 /nfs/dbraw/zinc/49/92/98/724499298.db2.gz UHOOMXDTSYPVJO-HOTGVXAUSA-N 2 0 297.487 1.839 10 0 CDAERP CC[NH2+]Cc1ccccc1NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000841845505 725528756 /nfs/dbraw/zinc/52/87/56/725528756.db2.gz ATTJRRWYHAIUOO-CQSZACIVSA-N 2 0 265.332 1.436 10 0 CDAERP CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)C1 ZINC000872143061 724518610 /nfs/dbraw/zinc/51/86/10/724518610.db2.gz KKKAKLGJGYPDDT-KBXIAJHMSA-N 2 0 252.402 1.733 10 0 CDAERP CC1(C)CO[C@H](C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000708342166 724549506 /nfs/dbraw/zinc/54/95/06/724549506.db2.gz ZMQZOGSHZYCAGA-XDQVBPFNSA-N 2 0 252.402 1.861 10 0 CDAERP CCC[NH+]1CCC([N@H+](C)C[C@@H](O)CCC2(O)CCC2)CC1 ZINC000929778749 724556269 /nfs/dbraw/zinc/55/62/69/724556269.db2.gz VHRHUEVYIKQERM-INIZCTEOSA-N 2 0 298.471 1.849 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCC[C@H]2CCOC2=O)C1 ZINC000925731580 724557126 /nfs/dbraw/zinc/55/71/26/724557126.db2.gz UJPNNBPQTVFORT-YNEHKIRRSA-N 2 0 268.401 1.825 10 0 CDAERP C[NH2+]C1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC000844164684 724592706 /nfs/dbraw/zinc/59/27/06/724592706.db2.gz NABDDDXCDNTDDH-UHFFFAOYSA-N 2 0 267.417 1.463 10 0 CDAERP C[NH+]1CCC(OCC(=O)Nc2cc(F)cc(C[NH3+])c2)CC1 ZINC000927775213 724596786 /nfs/dbraw/zinc/59/67/86/724596786.db2.gz BCJHQHSZBMMQIN-UHFFFAOYSA-N 2 0 295.358 1.334 10 0 CDAERP C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923502357 724624936 /nfs/dbraw/zinc/62/49/36/724624936.db2.gz BIAGYAQUAGEHTP-LJISPDSOSA-N 2 0 281.444 1.598 10 0 CDAERP CS(=O)(=O)CCCCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925645495 724674669 /nfs/dbraw/zinc/67/46/69/724674669.db2.gz REQAFFRAMBFMIC-ZDUSSCGKSA-N 2 0 288.457 1.466 10 0 CDAERP CCN(C(=O)NCC[NH+](CC)C(C)C)[C@@H]1CC[N@H+](CC)C1 ZINC000853638940 724712806 /nfs/dbraw/zinc/71/28/06/724712806.db2.gz DOIBQOGYHIQIOE-OAHLLOKOSA-N 2 0 298.475 1.842 10 0 CDAERP C[NH+](C)C1(C)CCC([NH2+]C[C@@H](O)C[C@](C)(O)C2CC2)CC1 ZINC000872228339 724744164 /nfs/dbraw/zinc/74/41/64/724744164.db2.gz HAJZTSPLCQDPDP-XGHPGWEVSA-N 2 0 298.471 1.751 10 0 CDAERP CC[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)[C@@H]1CCCOC1 ZINC000872020509 724752481 /nfs/dbraw/zinc/75/24/81/724752481.db2.gz HTXLAXCVLIKRJD-NVXWUHKLSA-N 2 0 297.487 1.807 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000717904267 724752621 /nfs/dbraw/zinc/75/26/21/724752621.db2.gz DSGUVRBKOJKEDV-KBXIAJHMSA-N 2 0 251.418 1.672 10 0 CDAERP CC[C@H](CO)[NH+]1CCC[C@@]2(CCC[N@@H+]([C@@H](CC)CO)C2)C1 ZINC000930511782 724763165 /nfs/dbraw/zinc/76/31/65/724763165.db2.gz NGNMQNSOWZTAMH-IXDOHACOSA-N 2 0 298.471 1.706 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000872281324 724787482 /nfs/dbraw/zinc/78/74/82/724787482.db2.gz ZIQMETNNUVTKMM-KNCOVGOOSA-N 2 0 277.412 1.201 10 0 CDAERP COCC[N@H+](C)CCCN[C@H]1CC[NH2+]C12CCCC2 ZINC000925541578 724803861 /nfs/dbraw/zinc/80/38/61/724803861.db2.gz BXQPLCPNVWDSHP-AWEZNQCLSA-N 2 0 269.433 1.219 10 0 CDAERP CC(C)[C@H](CNC(=[NH2+])NC[C@@H]1CCCO1)[NH+]1CCCC1 ZINC000066245120 724829080 /nfs/dbraw/zinc/82/90/80/724829080.db2.gz ACLITFGYXCJOLI-KBPBESRZSA-N 2 0 282.432 1.190 10 0 CDAERP CC[C@@H]1CN(C(=O)CCCCCC[NH3+])CC[N@@H+]1C[C@@H](C)O ZINC000167996095 725064663 /nfs/dbraw/zinc/06/46/63/725064663.db2.gz JXLDITYEEPYBRI-HUUCEWRRSA-N 2 0 299.459 1.199 10 0 CDAERP C[C@@H](C1CC1)[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000782183845 725088278 /nfs/dbraw/zinc/08/82/78/725088278.db2.gz AJYFWIFTHYNUPE-JSGCOSHPSA-N 2 0 265.401 1.023 10 0 CDAERP CS[C@H](CO)[C@@H](C)[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925611378 725145852 /nfs/dbraw/zinc/14/58/52/725145852.db2.gz LXYVKZYLBMAMBF-KVSVUVNWSA-N 2 0 272.458 1.465 10 0 CDAERP Cn1c(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cnc1Cl ZINC000848555695 723768412 /nfs/dbraw/zinc/76/84/12/723768412.db2.gz DNRPUKWHULIPEO-NSHDSACASA-N 2 0 270.808 1.895 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]([NH3+])CC1CC1 ZINC000381064602 723810793 /nfs/dbraw/zinc/81/07/93/723810793.db2.gz XXTREWNOUXIQNV-OLZOCXBDSA-N 2 0 253.390 1.057 10 0 CDAERP C[NH+](C)C1(C)CCC(NC(=O)NC2CC[NH+](C)CC2)CC1 ZINC000868350873 723811206 /nfs/dbraw/zinc/81/12/06/723811206.db2.gz OOVFSNNUQJSNMS-UHFFFAOYSA-N 2 0 296.459 1.643 10 0 CDAERP FC(F)(F)[C@@H]1CC[C@@H](CN2CC[C@]3(CC[NH2+]C3)C2)O1 ZINC000721440291 723816021 /nfs/dbraw/zinc/81/60/21/723816021.db2.gz CBEZCOOADGFLIX-SRVKXCTJSA-N 2 0 278.318 1.782 10 0 CDAERP C[C@@H]1C[N@H+](Cc2nc(-c3ccco3)no2)C[C@H]1CC[NH3+] ZINC000723909435 723851813 /nfs/dbraw/zinc/85/18/13/723851813.db2.gz XMINGFKTQNPGPM-GHMZBOCLSA-N 2 0 276.340 1.746 10 0 CDAERP C(c1nc2c(s1)C[NH2+]CC2)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000853245659 723926739 /nfs/dbraw/zinc/92/67/39/723926739.db2.gz AXBZFRDKOQLKQL-HNNXBMFYSA-N 2 0 292.452 1.364 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)c2[nH]nc3c2C[NH2+]CC3)cc1 ZINC000446145674 723974656 /nfs/dbraw/zinc/97/46/56/723974656.db2.gz RHQUVVXJDGLLQL-SNVBAGLBSA-N 2 0 299.378 1.005 10 0 CDAERP C([C@@H]1CCCOC1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000111322112 723977688 /nfs/dbraw/zinc/97/76/88/723977688.db2.gz HSLIRACUONWBFF-RRFJBIMHSA-N 2 0 252.402 1.877 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000841024693 723998255 /nfs/dbraw/zinc/99/82/55/723998255.db2.gz XMCXKWZVURWWTD-UONOGXRCSA-N 2 0 280.416 1.529 10 0 CDAERP C[N@@H+]1CCN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)CCC1(C)C ZINC000712683481 724001349 /nfs/dbraw/zinc/00/13/49/724001349.db2.gz AILPQGLADLMRID-ZDUSSCGKSA-N 2 0 281.444 1.707 10 0 CDAERP C([NH2+][C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000925830265 724049858 /nfs/dbraw/zinc/04/98/58/724049858.db2.gz CEBYIAWGWDJBNN-JHMPBIJASA-N 2 0 294.439 1.691 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]CC[C@@H]2CNC(=O)C2)c2ccccc21 ZINC000925837530 724073046 /nfs/dbraw/zinc/07/30/46/724073046.db2.gz GMKAHNBGBDVUSU-GDLCADMTSA-N 2 0 259.353 1.247 10 0 CDAERP C[C@H]1C[C@H]1NC(=[NH2+])NCCN(C)Cc1ccc(F)cc1 ZINC000864456924 1164546322 /nfs/dbraw/zinc/54/63/22/1164546322.db2.gz NJECILJCHYYNEM-SMDDNHRTSA-N 2 0 278.375 1.780 10 0 CDAERP Cc1ccc([C@@H](C)[NH2+]CCN2CCC([NH3+])CC2)o1 ZINC000925809973 724200984 /nfs/dbraw/zinc/20/09/84/724200984.db2.gz LZMGYUZHROCKIX-GFCCVEGCSA-N 2 0 251.374 1.662 10 0 CDAERP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)C1 ZINC000863488604 724308135 /nfs/dbraw/zinc/30/81/35/724308135.db2.gz YEHVQWJLXHYPLL-WHOHXGKFSA-N 2 0 290.354 1.694 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCN[C@H]1CC[NH2+]C12CCC2 ZINC000925550476 724308232 /nfs/dbraw/zinc/30/82/32/724308232.db2.gz MVWYQYZKEDTFCK-KGLIPLIRSA-N 2 0 251.418 1.735 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000846693032 724330268 /nfs/dbraw/zinc/33/02/68/724330268.db2.gz ZGJLDISNFZMPEU-LLVKDONJSA-N 2 0 261.369 1.163 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H](CO)c1ccc(F)cc1 ZINC000926587512 724350518 /nfs/dbraw/zinc/35/05/18/724350518.db2.gz KNXJHEDOIJBQDO-AWVCJSPBSA-N 2 0 292.398 1.831 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711357558 724359096 /nfs/dbraw/zinc/35/90/96/724359096.db2.gz YOVQVTXGCCNQIS-LBPRGKRZSA-N 2 0 255.406 1.080 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@]1(C(F)(F)F)CCCN1 ZINC000925859573 725048173 /nfs/dbraw/zinc/04/81/73/725048173.db2.gz ZTAVUHLRSARNBG-AXFHLTTASA-N 2 0 265.323 1.388 10 0 CDAERP CCCC[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863550976 725056300 /nfs/dbraw/zinc/05/63/00/725056300.db2.gz GNJOOOCFYLUAFE-OLZOCXBDSA-N 2 0 267.373 1.044 10 0 CDAERP C(C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000714791178 725090063 /nfs/dbraw/zinc/09/00/63/725090063.db2.gz PMRCKLANVFVEEF-PMPSAXMXSA-N 2 0 263.429 1.402 10 0 CDAERP C[NH+]1CCC(C[NH2+][C@@H]2CCCN3CCSC[C@@H]23)CC1 ZINC000718457145 725123900 /nfs/dbraw/zinc/12/39/00/725123900.db2.gz LTFAAIXDKZRFNK-CABCVRRESA-N 2 0 283.485 1.498 10 0 CDAERP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CCSC(F)(F)F)C1 ZINC000127894636 725151518 /nfs/dbraw/zinc/15/15/18/725151518.db2.gz XZMWOUMDOPYXRJ-SECBINFHSA-N 2 0 299.362 1.026 10 0 CDAERP CC1(C)[NH2+]CC[C@@H]1[NH2+]CC1CCC(S(C)(=O)=O)CC1 ZINC000925796811 725174129 /nfs/dbraw/zinc/17/41/29/725174129.db2.gz FKAFHVJJCNLNIS-BPCQOVAHSA-N 2 0 288.457 1.320 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000848604303 725205496 /nfs/dbraw/zinc/20/54/96/725205496.db2.gz CKKZEWSQUHMSMD-LZWOXQAQSA-N 2 0 294.443 1.112 10 0 CDAERP [NH3+]C[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@H]1C(F)(F)F ZINC000709801986 725210152 /nfs/dbraw/zinc/21/01/52/725210152.db2.gz HGWHCGLNOFQGSD-OUAUKWLOSA-N 2 0 266.307 1.625 10 0 CDAERP C[C@H]([NH2+]CCC[NH3+])c1ccc(Br)nc1 ZINC000817938039 725210169 /nfs/dbraw/zinc/21/01/69/725210169.db2.gz CAZMLBLTCZGUJW-QMMMGPOBSA-N 2 0 258.163 1.844 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)C(C)(C)[C@H]([NH3+])C(C)C ZINC000713021616 725212632 /nfs/dbraw/zinc/21/26/32/725212632.db2.gz JDCZQFKVFXSPIH-CYBMUJFWSA-N 2 0 271.449 1.796 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)CCOc1ccccc1C ZINC000707157497 725258031 /nfs/dbraw/zinc/25/80/31/725258031.db2.gz PABKEOPBUOZDSU-UHFFFAOYSA-N 2 0 266.385 1.542 10 0 CDAERP COC[C@H](CN1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)C(C)C ZINC000931546872 725269764 /nfs/dbraw/zinc/26/97/64/725269764.db2.gz NHTKMWACBWJPBJ-QLFBSQMISA-N 2 0 254.418 1.931 10 0 CDAERP Cc1cc([C@@H]([NH3+])CC(=O)NCC(C)(C)[NH3+])cc(Cl)n1 ZINC000832801148 725272669 /nfs/dbraw/zinc/27/26/69/725272669.db2.gz UPMXIGWCHZADOW-JTQLQIEISA-N 2 0 284.791 1.287 10 0 CDAERP CC(C)CC[C@H](O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000923415048 725290137 /nfs/dbraw/zinc/29/01/37/725290137.db2.gz PNIVCTVCIXQWQU-SOUVJXGZSA-N 2 0 254.418 1.857 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[NH2+]CC1(C)C)c1cccs1 ZINC000711354943 725300173 /nfs/dbraw/zinc/30/01/73/725300173.db2.gz PLRNGWWBPFKBPJ-RYUDHWBXSA-N 2 0 295.452 1.713 10 0 CDAERP C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C)C1=CC[NH+](C)CC1 ZINC000921881948 725304728 /nfs/dbraw/zinc/30/47/28/725304728.db2.gz XRNFVQXLLLDHST-SGMGOOAPSA-N 2 0 280.416 1.029 10 0 CDAERP CC[NH2+]CC1CC[NH+](CCO[C@H]2CCOC2)CC1 ZINC000724923930 725315407 /nfs/dbraw/zinc/31/54/07/725315407.db2.gz GNTTWWIYBFKXOH-AWEZNQCLSA-N 2 0 256.390 1.113 10 0 CDAERP C[NH+](C)CC[C@H](N[C@H]1CCC[C@H]1[NH3+])c1cccnc1 ZINC000925826766 725323520 /nfs/dbraw/zinc/32/35/20/725323520.db2.gz JLFYYQIXRVENGX-ILXRZTDVSA-N 2 0 262.401 1.544 10 0 CDAERP CC1(C)C[C@@H]([NH2+]CCOC[C@H]2CCCO2)C[C@@H]([NH3+])C1 ZINC000925497582 725329701 /nfs/dbraw/zinc/32/97/01/725329701.db2.gz IBFKUSSZXRCIFC-HZSPNIEDSA-N 2 0 270.417 1.678 10 0 CDAERP C(c1noc(C2CC[NH+](C3CC3)CC2)n1)C1CC[NH2+]CC1 ZINC000843136333 725354541 /nfs/dbraw/zinc/35/45/41/725354541.db2.gz VURJPVFPBGQZGE-UHFFFAOYSA-N 2 0 290.411 1.954 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)C[C@H]([NH3+])C2CC2)CC[N@@H+]1C ZINC000830350451 725355763 /nfs/dbraw/zinc/35/57/63/725355763.db2.gz CHQQRVHQFWQOKV-WXHSDQCUSA-N 2 0 253.390 1.055 10 0 CDAERP CC[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)[C@H]1C[C@@H]1C ZINC000925848280 725359475 /nfs/dbraw/zinc/35/94/75/725359475.db2.gz DQIDPJKFKZIBFL-XUXIUFHCSA-N 2 0 280.412 1.696 10 0 CDAERP C[C@@H](CN[C@@H]1CC[NH2+]C12CCC2)[NH+]1CCCCC1 ZINC000925611437 725382053 /nfs/dbraw/zinc/38/20/53/725382053.db2.gz CLBHKPYHJDGIOX-UONOGXRCSA-N 2 0 251.418 1.735 10 0 CDAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@@H]3CCC4(CCC4)O3)C[C@@H]12 ZINC000712451351 725390040 /nfs/dbraw/zinc/39/00/40/725390040.db2.gz JWIMEYIEQSJWGD-XJFOESAGSA-N 2 0 250.386 1.757 10 0 CDAERP Cc1ccc(CNC(=O)C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000923504894 725402852 /nfs/dbraw/zinc/40/28/52/725402852.db2.gz VXSPTKOTUXLJOB-GOEBONIOSA-N 2 0 289.423 1.528 10 0 CDAERP [NH3+]C[C@H]1CN(CCC[NH2+]C2CC2)C[C@H]1C(F)(F)F ZINC000923423303 725403135 /nfs/dbraw/zinc/40/31/35/725403135.db2.gz ALTMUVSWIHZYEL-GXSJLCMTSA-N 2 0 265.323 1.198 10 0 CDAERP C[C@@H]1C[C@H](C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)C[C@H](C)O1 ZINC000931065895 725404689 /nfs/dbraw/zinc/40/46/89/725404689.db2.gz MCHVZAHZHLKOPN-HWMZRRJGSA-N 2 0 296.455 1.721 10 0 CDAERP O[C@H](CN1CCCC1)C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000314135142 725405016 /nfs/dbraw/zinc/40/50/16/725405016.db2.gz HMASJMZAUADKAH-VQHPVUNQSA-N 2 0 296.455 1.459 10 0 CDAERP C[C@@H]1C[N@H+](CCCN[C@H]2CC[NH2+]C23CCCC3)CCCO1 ZINC000925652280 725410790 /nfs/dbraw/zinc/41/07/90/725410790.db2.gz PIDGRBFHDPMNOH-CVEARBPZSA-N 2 0 295.471 1.752 10 0 CDAERP CCCn1ncnc1C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723885051 725414153 /nfs/dbraw/zinc/41/41/53/725414153.db2.gz YSWQJJCGURCZKU-VXGBXAGGSA-N 2 0 251.378 1.105 10 0 CDAERP O=C(CCCC[NH+]1CCCC1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000844196683 725415020 /nfs/dbraw/zinc/41/50/20/725415020.db2.gz KZLPBXZUAPVCGI-QGZVFWFLSA-N 2 0 293.455 1.855 10 0 CDAERP Cc1cc(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)n(C)n1 ZINC000925668564 725418126 /nfs/dbraw/zinc/41/81/26/725418126.db2.gz XXNDNFJPPKPDMY-RYUDHWBXSA-N 2 0 250.390 1.724 10 0 CDAERP CO[C@]1(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)CCSC1 ZINC000719232574 725419157 /nfs/dbraw/zinc/41/91/57/725419157.db2.gz ZLTUGGHNJKRGBV-JSGCOSHPSA-N 2 0 272.458 1.828 10 0 CDAERP CCOCCOCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000929277767 725419180 /nfs/dbraw/zinc/41/91/80/725419180.db2.gz UOYDQNHXKAEBTN-UHFFFAOYSA-N 2 0 284.444 1.847 10 0 CDAERP CSC1(C[NH2+][C@@H](C)c2ccnnc2)CC[NH+](C)CC1 ZINC000926449560 725439374 /nfs/dbraw/zinc/43/93/74/725439374.db2.gz VITZMBKBIWLZGX-LBPRGKRZSA-N 2 0 280.441 1.955 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000720804297 725444017 /nfs/dbraw/zinc/44/40/17/725444017.db2.gz ISLWWIHVQJGFEX-RDBSUJKOSA-N 2 0 256.390 1.112 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2CCC3(COC3)O2)C[C@H]1C ZINC000929778598 725454820 /nfs/dbraw/zinc/45/48/20/725454820.db2.gz BPDIIVNEHKOLJI-QLFBSQMISA-N 2 0 282.428 1.739 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](CC2OCCO2)CC1 ZINC000777558581 725462089 /nfs/dbraw/zinc/46/20/89/725462089.db2.gz ZFZJEYCNEUDRJK-UHFFFAOYSA-N 2 0 256.390 1.413 10 0 CDAERP Cn1cncc1CC[N@@H+]1CCCC[C@@H]1C1OCCO1 ZINC000838817814 725475091 /nfs/dbraw/zinc/47/50/91/725475091.db2.gz RASKECKKAPGTJV-CYBMUJFWSA-N 2 0 265.357 1.190 10 0 CDAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925642120 725518325 /nfs/dbraw/zinc/51/83/25/725518325.db2.gz QEEOHCZVOFURLN-BZUAXINKSA-N 3 0 296.503 1.508 10 0 CDAERP CC(C)(C[NH3+])C1CCN(c2cc[nH+]cc2C(N)=O)CC1 ZINC000714408023 725564186 /nfs/dbraw/zinc/56/41/86/725564186.db2.gz ZIFWZTSNYRVBIL-UHFFFAOYSA-N 2 0 276.384 1.382 10 0 CDAERP C([NH2+][C@@H]1CN2C[C@@H]1CCC2)C1CC[NH+](CC2CC2)CC1 ZINC000926734252 725588240 /nfs/dbraw/zinc/58/82/40/725588240.db2.gz ZRBYVWNBBJYFBL-DLBZAZTESA-N 2 0 277.456 1.792 10 0 CDAERP C[C@H]([NH2+]C[C@H](O)CC(C)(C)O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000872205640 725600623 /nfs/dbraw/zinc/60/06/23/725600623.db2.gz KWFVPHPAHXDQNS-OFQRWUPVSA-N 2 0 298.471 1.751 10 0 CDAERP CCN(C(=O)NC[C@H](C)[NH+]1CCCCC1)[C@@H]1CC[N@H+](C)C1 ZINC000853465990 725620037 /nfs/dbraw/zinc/62/00/37/725620037.db2.gz PEDWPWOKOSPRDD-LSDHHAIUSA-N 2 0 296.459 1.596 10 0 CDAERP Cn1nc2c(c1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1)CCC2 ZINC000922181699 725636993 /nfs/dbraw/zinc/63/69/93/725636993.db2.gz XQRVHNWNNHWJPO-ZDUSSCGKSA-N 2 0 276.428 1.730 10 0 CDAERP CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723920895 725639558 /nfs/dbraw/zinc/63/95/58/725639558.db2.gz AUBKNVXMSMOMRP-XJFOESAGSA-N 2 0 269.433 1.596 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+]CC[C@@H](N(C)C)C(F)(F)F ZINC000925836424 725654692 /nfs/dbraw/zinc/65/46/92/725654692.db2.gz KLBNRTBQMXPVNT-WDEREUQCSA-N 2 0 269.355 1.976 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC000866705114 725708749 /nfs/dbraw/zinc/70/87/49/725708749.db2.gz UBBZEMKXGACVDG-KRWDZBQOSA-N 2 0 289.423 1.982 10 0 CDAERP COC[C@]1(C(=O)OC)CCC[N@@H+]1CCCCCC[NH3+] ZINC000852760118 725894158 /nfs/dbraw/zinc/89/41/58/725894158.db2.gz ASMMTGOMLZYOKP-AWEZNQCLSA-N 2 0 272.389 1.160 10 0 CDAERP C[C@@H](c1ccc(F)c(F)c1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923461993 725921226 /nfs/dbraw/zinc/92/12/26/725921226.db2.gz ZPRCUURJGOETTL-NSHDSACASA-N 2 0 269.339 1.521 10 0 CDAERP CCC[N@H+](CC)CCN[C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000262038476 725931998 /nfs/dbraw/zinc/93/19/98/725931998.db2.gz YGIMORGJEOSOFS-XHSDSOJGSA-N 2 0 283.460 1.465 10 0 CDAERP COC(=O)c1ccc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)s1 ZINC000923495247 725938507 /nfs/dbraw/zinc/93/85/07/725938507.db2.gz AQPRSKSENQFOBL-WDEREUQCSA-N 2 0 282.409 1.951 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000863545860 725939219 /nfs/dbraw/zinc/93/92/19/725939219.db2.gz IDOPAUWQAAUQMU-GRYCIOLGSA-N 2 0 276.471 1.321 10 0 CDAERP C(COC1CCOCC1)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000927079589 725971830 /nfs/dbraw/zinc/97/18/30/725971830.db2.gz SNRIKFXTPMXZRP-UHFFFAOYSA-N 2 0 282.428 1.646 10 0 CDAERP C[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CC3(CCC3)C(=O)O2)CCN1C ZINC000248841192 725999262 /nfs/dbraw/zinc/99/92/62/725999262.db2.gz LNXQZTMGAYAGPO-HZSPNIEDSA-N 2 0 280.412 1.887 10 0 CDAERP [NH3+]CCCOC1CC[NH+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)CC1 ZINC000720887458 725999914 /nfs/dbraw/zinc/99/99/14/725999914.db2.gz FIPLBTWKIGYJAX-KBMXLJTQSA-N 2 0 282.428 1.774 10 0 CDAERP CC(C)OC[C@H](O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250573721 726004594 /nfs/dbraw/zinc/00/45/94/726004594.db2.gz BZTSZNFHNDOLKZ-RBSFLKMASA-N 2 0 270.417 1.236 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC001629095240 1166115070 /nfs/dbraw/zinc/11/50/70/1166115070.db2.gz CLXXOUFELXBQJP-OLZOCXBDSA-N 2 0 255.406 1.127 10 0 CDAERP CC[NH+](CC)CC(=O)N1CC[C@H](CC[NH+](C)C)C1 ZINC001645128515 1167368901 /nfs/dbraw/zinc/36/89/01/1167368901.db2.gz IEWUCTZLAYDYLK-ZDUSSCGKSA-N 2 0 255.406 1.128 10 0 CDAERP C[C@@H]1CC[C@H]([NH2+]CC2([NH3+])CCOCC2)[C@@H](n2cncn2)C1 ZINC001646049192 1167623273 /nfs/dbraw/zinc/62/32/73/1167623273.db2.gz WZRKMEDMDLMPDE-RDBSUJKOSA-N 2 0 293.415 1.105 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001566802394 1168037368 /nfs/dbraw/zinc/03/73/68/1168037368.db2.gz RAVAPFWSRBUGCQ-JOCQHMNTSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2C[C@@H]([NH2+]CCCF)C2)C1 ZINC001565851444 1168184464 /nfs/dbraw/zinc/18/44/64/1168184464.db2.gz AZDAVGGUPUWBTL-MCIONIFRSA-N 2 0 285.407 1.172 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001566850705 1168443765 /nfs/dbraw/zinc/44/37/65/1168443765.db2.gz OQSYKMWIBRPLMT-BETUJISGSA-N 2 0 255.406 1.221 10 0 CDAERP CCCC[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001567048033 1168531103 /nfs/dbraw/zinc/53/11/03/1168531103.db2.gz NRZUBPNOTLXQRO-RDBSUJKOSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001567059227 1168538096 /nfs/dbraw/zinc/53/80/96/1168538096.db2.gz JJZTYJUMYHYSAP-KBPBESRZSA-N 2 0 269.433 1.752 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC1CC1 ZINC001272300714 912726836 /nfs/dbraw/zinc/72/68/36/912726836.db2.gz GFQGDCWEDJXYTQ-UONOGXRCSA-N 2 0 267.417 1.223 10 0 CDAERP CC/C=C/CC[N@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001567313820 1168675071 /nfs/dbraw/zinc/67/50/71/1168675071.db2.gz OBSOSPMCCHCWGD-SNAWJCMRSA-N 2 0 279.428 1.487 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)C[NH2+]C(C)(C)C)CC1 ZINC000715185536 913595653 /nfs/dbraw/zinc/59/56/53/913595653.db2.gz ADOWMWRGZFUYJD-UHFFFAOYSA-N 2 0 269.433 1.707 10 0 CDAERP CCC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001567431835 1168755598 /nfs/dbraw/zinc/75/55/98/1168755598.db2.gz TZSIEUUZCDLFRJ-UHFFFAOYSA-N 2 0 267.417 1.319 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001266526382 895230165 /nfs/dbraw/zinc/23/01/65/895230165.db2.gz UTJYYZHWBDQPTH-XETQRACLSA-N 2 0 293.455 1.875 10 0 CDAERP CN(CC[NH2+]CC1CCC1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001266742861 895954131 /nfs/dbraw/zinc/95/41/31/895954131.db2.gz COUSZIXXRHFCPO-CQSZACIVSA-N 2 0 267.417 1.319 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)[NH2+]CC1=CCCCC1)[NH+](C)C ZINC001266986502 896502070 /nfs/dbraw/zinc/50/20/70/896502070.db2.gz YCFDNABBQPYDDX-DZGCQCFKSA-N 2 0 281.444 1.921 10 0 CDAERP CC(C)=CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001267025048 896588049 /nfs/dbraw/zinc/58/80/49/896588049.db2.gz GFAHWTNLGRDKCB-AWEZNQCLSA-N 2 0 265.401 1.239 10 0 CDAERP CCC[NH2+]C[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267058162 896654964 /nfs/dbraw/zinc/65/49/64/896654964.db2.gz HVUYPUHRHGGEDD-OLZOCXBDSA-N 2 0 255.406 1.175 10 0 CDAERP CC[NH2+][C@H](C)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001267149654 896923852 /nfs/dbraw/zinc/92/38/52/896923852.db2.gz ZXGOEYPMZXQPAU-ZIAGYGMSSA-N 2 0 269.433 1.755 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001267181939 897033518 /nfs/dbraw/zinc/03/35/18/897033518.db2.gz QSBDYYLUUBIZPQ-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]CC[C@H](C)F ZINC001481229199 899512302 /nfs/dbraw/zinc/51/23/02/899512302.db2.gz PALPABDQBGCDIZ-UONOGXRCSA-N 2 0 287.423 1.655 10 0 CDAERP COCCC[NH2+]CCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001481246312 899626541 /nfs/dbraw/zinc/62/65/41/899626541.db2.gz SHLVBJXXXAZLTG-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@H](C(=O)N(CC)[C@@H]1CC[N@H+](CCCOC)C1)[NH+](C)C ZINC001267791048 899737187 /nfs/dbraw/zinc/73/71/87/899737187.db2.gz VOLVOKLDQCNJHK-HUUCEWRRSA-N 2 0 299.459 1.286 10 0 CDAERP CCC[NH2+]CC1(NC(=O)[C@@H](CC)[NH+](C)C)CCCC1 ZINC001267839053 899847810 /nfs/dbraw/zinc/84/78/10/899847810.db2.gz GABZYENLIXVZIG-CYBMUJFWSA-N 2 0 269.433 1.755 10 0 CDAERP CCC[NH2+]C[C@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001268009352 900275685 /nfs/dbraw/zinc/27/56/85/900275685.db2.gz OVFDMZAXBXFUBT-AWEZNQCLSA-N 2 0 283.460 1.859 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CC)C1 ZINC001481433889 900656179 /nfs/dbraw/zinc/65/61/79/900656179.db2.gz DEUCAVHVSKYLSG-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001481485171 900885604 /nfs/dbraw/zinc/88/56/04/900885604.db2.gz GFCZGZZSGZNZBI-GOEBONIOSA-N 2 0 293.455 1.519 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC1C[NH+](CC2CCC2)C1 ZINC001481565010 901222938 /nfs/dbraw/zinc/22/29/38/901222938.db2.gz KXVHYJNOHMVDDW-OAHLLOKOSA-N 2 0 279.428 1.461 10 0 CDAERP CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001268160110 901448284 /nfs/dbraw/zinc/44/82/84/901448284.db2.gz QNBLJMURMRHBJO-UONOGXRCSA-N 2 0 267.417 1.461 10 0 CDAERP CC[C@H](C(=O)N(CC)CC[NH2+]CC1CC1)[NH+](C)C ZINC001268458319 902167971 /nfs/dbraw/zinc/16/79/71/902167971.db2.gz LHERDIFRJZHPGA-CYBMUJFWSA-N 2 0 255.406 1.175 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccsc1 ZINC001481875316 902249470 /nfs/dbraw/zinc/24/94/70/902249470.db2.gz NCGMNAUFBXBANM-ZIAGYGMSSA-N 2 0 295.452 1.684 10 0 CDAERP C[C@](C[NH2+]CCC1CC1)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001481951100 902395742 /nfs/dbraw/zinc/39/57/42/902395742.db2.gz LZBACKRMXBXPQI-QGZVFWFLSA-N 2 0 293.455 1.757 10 0 CDAERP CC(C)=CC[NH2+]C1(CNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001483767174 914733363 /nfs/dbraw/zinc/73/33/63/914733363.db2.gz CBLXAOLBOSMGRT-AWEZNQCLSA-N 2 0 279.428 1.533 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001269261811 903619727 /nfs/dbraw/zinc/61/97/27/903619727.db2.gz CSPRAQNALYXAPF-ILNYKDOHSA-N 2 0 293.455 1.970 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001269279356 903646504 /nfs/dbraw/zinc/64/65/04/903646504.db2.gz ZKEGOXHHISESQS-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CCF ZINC001270605319 904784560 /nfs/dbraw/zinc/78/45/60/904784560.db2.gz YPPDTSZVJSXBLO-STQMWFEESA-N 2 0 273.396 1.172 10 0 CDAERP CCC[NH2+]C[C@]1(C)CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001270830555 905114336 /nfs/dbraw/zinc/11/43/36/905114336.db2.gz SIYATVWELZFNMI-INIZCTEOSA-N 2 0 283.460 1.957 10 0 CDAERP CCCC[NH2+]C[C@@H](C)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482354600 905179033 /nfs/dbraw/zinc/17/90/33/905179033.db2.gz RLICSGGBHIXIMG-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[C@H]([NH+](C)CC)C1 ZINC001364285203 905531597 /nfs/dbraw/zinc/53/15/97/905531597.db2.gz ZGZBUDKGZZXOBZ-GJZGRUSLSA-N 2 0 298.475 1.842 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1CC[NH2+]CCF ZINC001482458297 905669062 /nfs/dbraw/zinc/66/90/62/905669062.db2.gz DBSPUJXAFULGCV-AWEZNQCLSA-N 2 0 287.423 1.659 10 0 CDAERP CC(C)[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001271930418 906988340 /nfs/dbraw/zinc/98/83/40/906988340.db2.gz QNLGAHACJKLMGQ-OLZOCXBDSA-N 2 0 255.406 1.077 10 0 CDAERP C[C@H](NC(=O)CC[NH+](C)C)C1C[NH+](Cc2ccccc2)C1 ZINC001409956151 921304652 /nfs/dbraw/zinc/30/46/52/921304652.db2.gz ZYGMSYRBDHSRLQ-AWEZNQCLSA-N 2 0 289.423 1.575 10 0 CDAERP Cc1ncccc1C[NH2+]CC[C@H](C)NC(=O)CC[NH+](C)C ZINC001272993822 921348326 /nfs/dbraw/zinc/34/83/26/921348326.db2.gz KIRBWLICVULLDK-ZDUSSCGKSA-N 2 0 292.427 1.326 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC1CCC1 ZINC001482687567 908287203 /nfs/dbraw/zinc/28/72/03/908287203.db2.gz CVOHRRKFEOGAIV-CABCVRRESA-N 2 0 281.444 1.613 10 0 CDAERP CCC(CC)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001482899587 908466603 /nfs/dbraw/zinc/46/66/03/908466603.db2.gz SCVAYFSKMSZQLA-HIFRSBDPSA-N 2 0 283.460 1.859 10 0 CDAERP CCN(CC[NH2+]CCCF)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001482950654 908535899 /nfs/dbraw/zinc/53/58/99/908535899.db2.gz ZBQJJDCBVLTTRX-ZDUSSCGKSA-N 2 0 273.396 1.126 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CCC1CC1 ZINC001483012723 908691902 /nfs/dbraw/zinc/69/19/02/908691902.db2.gz UZLYBZZMXZSKHU-QDLOVBKTSA-N 2 0 293.455 1.921 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]C/C=C\Cl)CC[N@@H+]1C ZINC001483227964 910293215 /nfs/dbraw/zinc/29/32/15/910293215.db2.gz AYEMPRASWXCAEM-IXDOJIRCSA-N 2 0 287.835 1.564 10 0 CDAERP CC(C)[NH2+][C@H](C)[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001409407887 910374999 /nfs/dbraw/zinc/37/49/99/910374999.db2.gz YGQFRVCRJNLPMW-OLZOCXBDSA-N 2 0 271.449 1.856 10 0 CDAERP C[C@@H]([NH2+]Cc1cncc(F)c1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001409416536 910380674 /nfs/dbraw/zinc/38/06/74/910380674.db2.gz QWIKOBOYSWLXDB-NEPJUHHUSA-N 2 0 296.390 1.155 10 0 CDAERP CC(C)[NH2+]CC(C)(C)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001409494356 910447713 /nfs/dbraw/zinc/44/77/13/910447713.db2.gz LJZMPEFTWRHNLN-CQSZACIVSA-N 2 0 283.460 1.811 10 0 CDAERP CCCC[NH2+]CC[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001484550273 915878053 /nfs/dbraw/zinc/87/80/53/915878053.db2.gz SCYDAWVITFVVJZ-HNNXBMFYSA-N 2 0 281.444 1.711 10 0 CDAERP Cc1nc(C)c(C[NH2+][C@H](C)[C@H](C)NC(=O)CC[NH+](C)C)o1 ZINC001485188669 916648217 /nfs/dbraw/zinc/64/82/17/916648217.db2.gz IRAXTDKHYCJOPX-MNOVXSKESA-N 2 0 296.415 1.226 10 0 CDAERP C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)N(C)CCF ZINC001485317717 916799552 /nfs/dbraw/zinc/79/95/52/916799552.db2.gz AHGXXNINCOHRRR-CYBMUJFWSA-N 2 0 285.407 1.268 10 0 CDAERP C[C@H](CCC[NH2+]C/C=C\Cl)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001485714711 917209954 /nfs/dbraw/zinc/20/99/54/917209954.db2.gz LJHRKVVYRLZTNL-UYMHTNOESA-N 2 0 287.835 1.708 10 0 CDAERP CC[NH2+][C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001485792479 917294010 /nfs/dbraw/zinc/29/40/10/917294010.db2.gz HVEKCHCLTJJGJO-QWHCGFSZSA-N 2 0 255.406 1.079 10 0 CDAERP COCCN(CC[NH+](C)C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001464996137 936665384 /nfs/dbraw/zinc/66/53/84/936665384.db2.gz RYFBCPYXNNSEOR-LSDHHAIUSA-N 2 0 299.459 1.143 10 0 CDAERP COCCCC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)[C@@H]1C ZINC001486182109 920785138 /nfs/dbraw/zinc/78/51/38/920785138.db2.gz XFLROESZUPWLQF-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](O)C[NH+](C)C(C)C ZINC001486359526 920925882 /nfs/dbraw/zinc/92/58/82/920925882.db2.gz YHOVICOASUZYHW-HUUCEWRRSA-N 2 0 299.459 1.020 10 0 CDAERP CCC[NH2+]C[C@@H](C)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001568313057 1169238678 /nfs/dbraw/zinc/23/86/78/1169238678.db2.gz VCSPMDBAQPFQDH-CHWSQXEVSA-N 2 0 255.406 1.175 10 0 CDAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711247384 923448089 /nfs/dbraw/zinc/44/80/89/923448089.db2.gz KQKWWAVVZGDFFI-RDBSUJKOSA-N 2 0 279.428 1.317 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001491081281 936851369 /nfs/dbraw/zinc/85/13/69/936851369.db2.gz YTTXNIOVIHYOMT-OKILXGFUSA-N 2 0 267.417 1.509 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CCC[N@H+](CC2CCC2)C1 ZINC001491129788 936861127 /nfs/dbraw/zinc/86/11/27/936861127.db2.gz JDOVYXQYNVMSMA-INIZCTEOSA-N 2 0 293.455 1.711 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+](CCC2CC2)C1 ZINC001491134343 936863189 /nfs/dbraw/zinc/86/31/89/936863189.db2.gz UMBGRGGPXYENQF-INIZCTEOSA-N 2 0 295.471 1.955 10 0 CDAERP CCCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001273176662 923799979 /nfs/dbraw/zinc/79/99/79/923799979.db2.gz XDRWDCIMFQLRFL-OLZOCXBDSA-N 2 0 255.406 1.223 10 0 CDAERP OCCC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC[NH2+]C1CC1 ZINC000923415612 923821033 /nfs/dbraw/zinc/82/10/33/923821033.db2.gz HDWOZEZWXKYMIQ-LQDVMPOASA-N 2 0 252.402 1.754 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001491184416 936870481 /nfs/dbraw/zinc/87/04/81/936870481.db2.gz KEGZFRAXIGPCFP-HNNXBMFYSA-N 2 0 281.444 1.711 10 0 CDAERP CC(C)C[NH2+]CC[C@H](C)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001273182763 923886987 /nfs/dbraw/zinc/88/69/87/923886987.db2.gz DJXPJOPNKQCPKM-GJZGRUSLSA-N 2 0 299.459 1.095 10 0 CDAERP COCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+](C)C(C)C)C1 ZINC001491300022 936891927 /nfs/dbraw/zinc/89/19/27/936891927.db2.gz KZRWUEQZUJPTOX-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP CC/C=C\CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001491324808 936894711 /nfs/dbraw/zinc/89/47/11/936894711.db2.gz OQQKUVOGWKOOQM-RVJJAYPCSA-N 2 0 279.428 1.341 10 0 CDAERP CCCC[NH2+][C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001491512723 936926580 /nfs/dbraw/zinc/92/65/80/936926580.db2.gz HORYWXOJJSAXRE-ZDUSSCGKSA-N 2 0 267.417 1.509 10 0 CDAERP CC[C@H](C)[C@@H](C)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC001196293371 924867574 /nfs/dbraw/zinc/86/75/74/924867574.db2.gz JZZLDFDQRDJWMQ-GZBFAFLISA-N 2 0 254.418 1.952 10 0 CDAERP CCC(CC)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001410213996 925407901 /nfs/dbraw/zinc/40/79/01/925407901.db2.gz BYGRSOYDNXUMMX-BZUAXINKSA-N 2 0 295.471 1.859 10 0 CDAERP CN(C(=O)[C@H]1CCCC[C@@H]1[NH3+])c1cc(C[NH3+])ccn1 ZINC001119621670 925439931 /nfs/dbraw/zinc/43/99/31/925439931.db2.gz OTZPKPHQIZCBBT-RYUDHWBXSA-N 2 0 262.357 1.021 10 0 CDAERP CCN(CC[NH2+]CCC1CC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001273298322 925760882 /nfs/dbraw/zinc/76/08/82/925760882.db2.gz LWQHSZFMIAIPME-AWEZNQCLSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]CC[C@H]1CCCO1 ZINC001410518989 925867301 /nfs/dbraw/zinc/86/73/01/925867301.db2.gz XPIDUORUQWDTOC-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NCCC[NH+](CC2CC2)C2CC2)C1 ZINC001490384808 927143951 /nfs/dbraw/zinc/14/39/51/927143951.db2.gz AUHCLUAQCRIXFI-AWEZNQCLSA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001490661439 927288925 /nfs/dbraw/zinc/28/89/25/927288925.db2.gz MWGKIUOFFICPEN-HOTGVXAUSA-N 2 0 295.471 2.000 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]([NH2+]CC(C)C)C1CC1)[NH+](C)C ZINC001490727616 927300863 /nfs/dbraw/zinc/30/08/63/927300863.db2.gz DELLBEIAKIOPSY-ZIAGYGMSSA-N 2 0 269.433 1.467 10 0 CDAERP C[C@](O)(C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2)C(F)(F)F ZINC000698593092 937295668 /nfs/dbraw/zinc/29/56/68/937295668.db2.gz UDHBROHBGGTSRR-CIUDSAMLSA-N 2 0 252.280 1.159 10 0 CDAERP CC/C=C/CC[N@H+](C)CCN(C)C(=O)Cn1ccnc1 ZINC001568506961 1169338349 /nfs/dbraw/zinc/33/83/49/1169338349.db2.gz RTIBLEWZGHCSOM-AATRIKPKSA-N 2 0 278.400 1.630 10 0 CDAERP O=C(NC/C=C/C[NH2+]CCCF)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001274429182 931499578 /nfs/dbraw/zinc/49/95/78/931499578.db2.gz BGTAJMVTIQNBQG-QJVFMVDXSA-N 2 0 297.418 1.625 10 0 CDAERP CCCC[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001274577739 931510399 /nfs/dbraw/zinc/51/03/99/931510399.db2.gz BVIKUCXCUOHBGZ-SZZPACECSA-N 2 0 253.390 1.000 10 0 CDAERP CCC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001279173003 931620372 /nfs/dbraw/zinc/62/03/72/931620372.db2.gz XKXCSORTQNBLIF-JKSUJKDBSA-N 2 0 295.471 1.812 10 0 CDAERP C[C@@H](C[NH2+]C/C=C/c1ccccc1)NC(=O)CC[NH+](C)C ZINC001275291543 931726613 /nfs/dbraw/zinc/72/66/13/931726613.db2.gz LPOLOZOREJNGAU-VSGCLNPGSA-N 2 0 289.423 1.746 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CCF ZINC001275794805 932044779 /nfs/dbraw/zinc/04/47/79/932044779.db2.gz YPRURIYGAAASND-OLZOCXBDSA-N 2 0 273.396 1.172 10 0 CDAERP CC[N@@H+]1CCN(C(=O)[C@H]2CCC[NH+](C(C)C)C2)[C@H](C)C1 ZINC001412108520 932269684 /nfs/dbraw/zinc/26/96/84/932269684.db2.gz MGVZCCHPWNQBIR-CABCVRRESA-N 2 0 281.444 1.659 10 0 CDAERP CCCC[C@@H](C[NH2+]CC)NC(=O)C[NH+]1CCCC1 ZINC001276268823 932700689 /nfs/dbraw/zinc/70/06/89/932700689.db2.gz MSLMKIDMMCDXDU-ZDUSSCGKSA-N 2 0 255.406 1.367 10 0 CDAERP CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)[C@@H](O)C(F)F ZINC000925678338 932926172 /nfs/dbraw/zinc/92/61/72/932926172.db2.gz CPRHVTWIMFZKHE-CHWFTXMASA-N 2 0 264.360 1.887 10 0 CDAERP C[NH+]1CCC(C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000686980871 934218183 /nfs/dbraw/zinc/21/81/83/934218183.db2.gz DKJFHXVPSMIDMK-CYBMUJFWSA-N 2 0 267.417 1.223 10 0 CDAERP CCCCC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001490840135 934351428 /nfs/dbraw/zinc/35/14/28/934351428.db2.gz CGUUTHUZYQVQTG-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP CCOC[C@@H](O)C[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001413094684 935900518 /nfs/dbraw/zinc/90/05/18/935900518.db2.gz KBJZJYPPGTVFOE-HRCADAONSA-N 2 0 282.428 1.192 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC2CC2)C1)[NH+](C)C ZINC001277001025 941795398 /nfs/dbraw/zinc/79/53/98/941795398.db2.gz HAACPBYTEFWORS-MGPQQGTHSA-N 2 0 267.417 1.221 10 0 CDAERP CC[N@H+](C)C[C@@H](O)CN1C[C@]23C[NH+](C)C[C@@]2(C1)CCCC3 ZINC001473902075 970888705 /nfs/dbraw/zinc/88/87/05/970888705.db2.gz PWTKLCYOXHMSOG-ZACQAIPSSA-N 2 0 295.471 1.107 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NCC2=CC[NH+](CC3CC3)CC2)C1 ZINC001279668697 942400660 /nfs/dbraw/zinc/40/06/60/942400660.db2.gz DQOUDDZHZFEITL-MRXNPFEDSA-N 2 0 291.439 1.487 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC001332451907 942424767 /nfs/dbraw/zinc/42/47/67/942424767.db2.gz LQDSGMAVSBLRDK-CHWSQXEVSA-N 2 0 265.401 1.106 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CCCF ZINC001281713681 942612906 /nfs/dbraw/zinc/61/29/06/942612906.db2.gz ATAAMKVGBAOLIX-KBPBESRZSA-N 2 0 287.423 1.703 10 0 CDAERP CCCCC[NH2+]CCN(CC)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001568797585 1169478942 /nfs/dbraw/zinc/47/89/42/1169478942.db2.gz IDQKEADHYKWDRV-AWEZNQCLSA-N 2 0 269.433 1.566 10 0 CDAERP CC[N@H+](C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001282497636 942723415 /nfs/dbraw/zinc/72/34/15/942723415.db2.gz PFVAVQVYROLMNW-ZIAGYGMSSA-N 2 0 269.433 1.563 10 0 CDAERP C[C@H](NC(=O)CCCC[NH+](C)C)C1C[NH+](CC2CCC2)C1 ZINC001282736840 942746485 /nfs/dbraw/zinc/74/64/85/942746485.db2.gz IFHFCLGVPNUOQF-AWEZNQCLSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[NH2+][C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001277562693 943005837 /nfs/dbraw/zinc/00/58/37/943005837.db2.gz NNYQTJULSKXOAP-KGLIPLIRSA-N 2 0 269.433 1.610 10 0 CDAERP CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001263817113 943987266 /nfs/dbraw/zinc/98/72/66/943987266.db2.gz OPABCOQSYPEKEA-UONOGXRCSA-N 2 0 269.433 1.659 10 0 CDAERP CCOCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001265090234 944226289 /nfs/dbraw/zinc/22/62/89/944226289.db2.gz YCNKJTAQTCCXEJ-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)C1CC1 ZINC001265177429 944262633 /nfs/dbraw/zinc/26/26/33/944262633.db2.gz SCTSDIWIEVHLHK-HZPDHXFCSA-N 2 0 293.455 1.994 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001265503348 944411310 /nfs/dbraw/zinc/41/13/10/944411310.db2.gz QZMJNOYCVDUAHF-JOCQHMNTSA-N 2 0 265.401 1.119 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001265635347 944452491 /nfs/dbraw/zinc/45/24/91/944452491.db2.gz VMOJLHAACQMLNF-CVEARBPZSA-N 2 0 293.455 1.733 10 0 CDAERP CC(C)CCC[NH2+][C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001265865032 944547468 /nfs/dbraw/zinc/54/74/68/944547468.db2.gz XSPWASLTCXXJMY-AWEZNQCLSA-N 2 0 269.433 1.613 10 0 CDAERP CCC[NH2+]C[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001265986737 944616652 /nfs/dbraw/zinc/61/66/52/944616652.db2.gz LRYBZMCYAYQVOK-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC(C)C ZINC001568858894 1169521201 /nfs/dbraw/zinc/52/12/01/1169521201.db2.gz VCPBEIQHFQFKNM-IYKSTZQJSA-N 2 0 281.444 1.779 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC001362314672 971149108 /nfs/dbraw/zinc/14/91/08/971149108.db2.gz ROBPQGXKXOBBDC-STQMWFEESA-N 2 0 271.449 1.667 10 0 CDAERP CC[N@@H+]1C[C@H](C)N(Cc2[nH]c(C)nc2C)C[C@@H]1C ZINC001262236489 946540847 /nfs/dbraw/zinc/54/08/47/946540847.db2.gz GJTUFLSFYRHJHW-QWRGUYRKSA-N 2 0 250.390 1.941 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001479241547 971272227 /nfs/dbraw/zinc/27/22/27/971272227.db2.gz DGDOREMXLYDRPN-AWEZNQCLSA-N 2 0 269.433 1.517 10 0 CDAERP CCC[NH2+]C/C=C\CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001568948564 1169559753 /nfs/dbraw/zinc/55/97/53/1169559753.db2.gz RXWCKWLIJQGFFT-ARJAWSKDSA-N 2 0 293.455 1.780 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001362497666 971340960 /nfs/dbraw/zinc/34/09/60/971340960.db2.gz APHSBEGZJSISQL-CYBMUJFWSA-N 2 0 273.396 1.221 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CCCF)CN1C(=O)C[N@H+](C)C1CCC1 ZINC001278379990 947356065 /nfs/dbraw/zinc/35/60/65/947356065.db2.gz WGMAQNHIBCKQIL-OLZOCXBDSA-N 2 0 285.407 1.409 10 0 CDAERP CC(C)OCC[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001479778775 971414506 /nfs/dbraw/zinc/41/45/06/971414506.db2.gz DIVABBBYTUQJHU-HNNXBMFYSA-N 2 0 299.459 1.334 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CCCCCF)C2)C1 ZINC001479970596 971520026 /nfs/dbraw/zinc/52/00/26/971520026.db2.gz GEIMRAMWHYFZMI-KBPBESRZSA-N 2 0 285.407 1.268 10 0 CDAERP CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](F)C[NH+](CC)CC ZINC001480096105 971574332 /nfs/dbraw/zinc/57/43/32/971574332.db2.gz KURZBHGPRKNBCT-ZNMIVQPWSA-N 2 0 299.434 1.752 10 0 CDAERP CC[NH+](CC)CC(=O)N1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001362776415 971610212 /nfs/dbraw/zinc/61/02/12/971610212.db2.gz WAOLJUMGAUJUSN-INIZCTEOSA-N 2 0 289.423 1.371 10 0 CDAERP C[NH+](C)CCCC(=O)N1CC[C@@](C)(C[NH2+]CCCF)C1 ZINC001278542118 949857664 /nfs/dbraw/zinc/85/76/64/949857664.db2.gz HDDANSFNBYQMRT-HNNXBMFYSA-N 2 0 287.423 1.516 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]CCC(C)(C)C ZINC001569092461 1169641689 /nfs/dbraw/zinc/64/16/89/1169641689.db2.gz INGOFTCHXKZMLP-ZDUSSCGKSA-N 2 0 271.449 1.859 10 0 CDAERP CCC[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001480786656 971878713 /nfs/dbraw/zinc/87/87/13/971878713.db2.gz QNCACAHEFXJTAT-RDBSUJKOSA-N 2 0 269.433 1.611 10 0 CDAERP [NH3+]C1CC(Cc2nc([C@@H]3C[NH+]4CCC3CC4)no2)C1 ZINC001333201022 953785556 /nfs/dbraw/zinc/78/55/56/953785556.db2.gz AZHDDMZIKHXOFJ-QEWOUOOISA-N 2 0 262.357 1.159 10 0 CDAERP CCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001325475311 953919787 /nfs/dbraw/zinc/91/97/87/953919787.db2.gz LLEOOBPZTWYQON-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CC2CC2)C1 ZINC001326225441 954274078 /nfs/dbraw/zinc/27/40/78/954274078.db2.gz TYBIIKOGUGXHIT-LSDHHAIUSA-N 2 0 279.428 1.319 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CC)C1 ZINC001326288243 954300236 /nfs/dbraw/zinc/30/02/36/954300236.db2.gz NMHJTCSRQWXUMM-HUUCEWRRSA-N 2 0 281.444 1.709 10 0 CDAERP CCCC[NH2+]CC[C@@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001326446155 954384259 /nfs/dbraw/zinc/38/42/59/954384259.db2.gz LSPCBRSEGCVOMD-CQSZACIVSA-N 2 0 278.400 1.511 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC001326627811 954464609 /nfs/dbraw/zinc/46/46/09/954464609.db2.gz RXLSIOXBYOQPKZ-IHRRRGAJSA-N 2 0 269.433 1.741 10 0 CDAERP CC(C)=CC[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CCC1 ZINC001326876845 954599139 /nfs/dbraw/zinc/59/91/39/954599139.db2.gz AVWVDOSBVXYVHD-UHFFFAOYSA-N 2 0 293.455 1.923 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)CC[NH+](C)C)C1 ZINC001296126124 954812877 /nfs/dbraw/zinc/81/28/77/954812877.db2.gz FRVDOWJHFAHRFH-KBPBESRZSA-N 2 0 269.433 1.563 10 0 CDAERP Cc1cnc(C)nc1N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001364584796 954849272 /nfs/dbraw/zinc/84/92/72/954849272.db2.gz JPOKTRAQOCZHAR-HUUCEWRRSA-N 2 0 291.443 1.269 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCO[C@@H](C)C2)CC1 ZINC001327755558 955029614 /nfs/dbraw/zinc/02/96/14/955029614.db2.gz MQTQDOSVRAZMPS-ZFWWWQNUSA-N 2 0 297.443 1.134 10 0 CDAERP CC/C=C\CC[NH2+][C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001491578362 955296901 /nfs/dbraw/zinc/29/69/01/955296901.db2.gz DFBNEFAECFUATJ-JBZXTQMFSA-N 2 0 281.444 1.779 10 0 CDAERP CC[C@@H](C)C[NH2+]CCN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001493579709 972084722 /nfs/dbraw/zinc/08/47/22/972084722.db2.gz OMIVBFQLJTVCLE-CYBMUJFWSA-N 2 0 269.433 1.565 10 0 CDAERP CC[C@H](F)C[NH2+]CC1(NC(=O)CC[NH+](C)C)CCCC1 ZINC001421511942 955383760 /nfs/dbraw/zinc/38/37/60/955383760.db2.gz NATWHHGMELMZNO-ZDUSSCGKSA-N 2 0 287.423 1.705 10 0 CDAERP COC[C@@H](C)[NH2+]CCC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001421598751 955427515 /nfs/dbraw/zinc/42/75/15/955427515.db2.gz WRUGTXDWYDNZQI-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP COC[C@@H](C)[NH+]1CCC(CCNC(=O)CC[NH+](C)C)CC1 ZINC001421637910 955444815 /nfs/dbraw/zinc/44/48/15/955444815.db2.gz MBGNRDCCIVTBBT-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@H](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CCCF ZINC001492110158 955633138 /nfs/dbraw/zinc/63/31/38/955633138.db2.gz ANIKCPNZAYBWDJ-OLZOCXBDSA-N 2 0 273.396 1.172 10 0 CDAERP C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@@H](C)[NH2+]CCCF ZINC001329111275 955693557 /nfs/dbraw/zinc/69/35/57/955693557.db2.gz RGLYVVCAMCGPRJ-VXGBXAGGSA-N 2 0 273.396 1.171 10 0 CDAERP CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCN(c2cc[nH+]cc2)C1 ZINC001365215381 955734188 /nfs/dbraw/zinc/73/41/88/955734188.db2.gz RAIHPKQAVONVGM-ZFWWWQNUSA-N 2 0 288.395 1.118 10 0 CDAERP C[NH+](C)CC[C@@H]1CCN(C(=O)C(C)(C)c2cnc[nH]2)C1 ZINC001363398017 972138203 /nfs/dbraw/zinc/13/82/03/972138203.db2.gz IVZOCMVWASLPAY-GFCCVEGCSA-N 2 0 278.400 1.488 10 0 CDAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC1=CCCCC1 ZINC001317284040 956027192 /nfs/dbraw/zinc/02/71/92/956027192.db2.gz QHKOZZAFSZWTOX-CQSZACIVSA-N 2 0 291.439 1.677 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCCCC[NH+]1CCCO ZINC001422721910 956289952 /nfs/dbraw/zinc/28/99/52/956289952.db2.gz UKJDZNIKOCXZNS-OAHLLOKOSA-N 2 0 299.459 1.070 10 0 CDAERP C[C@@H]1CC2(CN1C(=O)CC[NH+](C)C)CC[NH+](CCF)CC2 ZINC001365862802 956409984 /nfs/dbraw/zinc/40/99/84/956409984.db2.gz XMWPVQAOTZLKFJ-CQSZACIVSA-N 2 0 299.434 1.611 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCCF)C[C@@H]2C1 ZINC001422886547 956429400 /nfs/dbraw/zinc/42/94/00/956429400.db2.gz YDPIEEWOTLJBIX-QLFBSQMISA-N 2 0 299.434 1.514 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH2+]CC1CCC1)C1CC1 ZINC001366037773 956525568 /nfs/dbraw/zinc/52/55/68/956525568.db2.gz BYKIUKDIEPEFCT-HOTGVXAUSA-N 2 0 293.455 1.755 10 0 CDAERP CC(C)CC[NH2+][C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001366056112 956538027 /nfs/dbraw/zinc/53/80/27/956538027.db2.gz DCAIUUYLEUUBRI-HOCLYGCPSA-N 2 0 295.471 1.859 10 0 CDAERP CC[C@H](F)C[NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001366063265 956542197 /nfs/dbraw/zinc/54/21/97/956542197.db2.gz NEQDXJLFHUJNSP-KBPBESRZSA-N 2 0 297.418 1.315 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cscn2)C1)[NH+](C)C ZINC001366162117 956612980 /nfs/dbraw/zinc/61/29/80/956612980.db2.gz MKJBZLUJDHYCLZ-NTZNESFSSA-N 2 0 296.440 1.220 10 0 CDAERP C[C@@H](CCC[NH2+]CCF)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001330914792 956701673 /nfs/dbraw/zinc/70/16/73/956701673.db2.gz HTDLMEXUHBZFRC-STQMWFEESA-N 2 0 273.396 1.172 10 0 CDAERP CC[C@@H](F)C[NH2+][C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001366284724 956711982 /nfs/dbraw/zinc/71/19/82/956711982.db2.gz FHILNDRJTVOSBS-UONOGXRCSA-N 2 0 299.434 1.705 10 0 CDAERP C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CC1CCC1 ZINC001366291463 956716999 /nfs/dbraw/zinc/71/69/99/956716999.db2.gz QBUCFYJLTOYTQD-ZFWWWQNUSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CC1CC1 ZINC001366326158 956745501 /nfs/dbraw/zinc/74/55/01/956745501.db2.gz FRENBNITNXFPLE-KGLIPLIRSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cccc(F)c1 ZINC001366325021 956746777 /nfs/dbraw/zinc/74/67/77/956746777.db2.gz QBQMPGMDIWCCBY-GFCCVEGCSA-N 2 0 281.375 1.372 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccon2)C1 ZINC001366436003 956821493 /nfs/dbraw/zinc/82/14/93/956821493.db2.gz UJMLUHFFBZCHQQ-STQMWFEESA-N 2 0 294.399 1.143 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)CC)C1 ZINC001423586731 956882938 /nfs/dbraw/zinc/88/29/38/956882938.db2.gz NMURNCMOIYJFBR-UKRRQHHQSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)CC[NH2+]C1CC(N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001423698862 956947287 /nfs/dbraw/zinc/94/72/87/956947287.db2.gz XKUHRYMVAFEMDB-FHERZECASA-N 2 0 295.471 1.953 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CCC1)C2 ZINC001423929117 957045613 /nfs/dbraw/zinc/04/56/13/957045613.db2.gz YVFUBALWTMBIGJ-XHSDSOJGSA-N 2 0 293.455 1.707 10 0 CDAERP CCCC[NH2+][C@@H](C)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001331574892 957144781 /nfs/dbraw/zinc/14/47/81/957144781.db2.gz ARWRVAHGYPWVBV-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001316990120 957189794 /nfs/dbraw/zinc/18/97/94/957189794.db2.gz DWLAOADYDKIWJV-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP CCC(CC)C[NH+]1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001366989401 957319728 /nfs/dbraw/zinc/31/97/28/957319728.db2.gz PDNCYQNVDCJEFT-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP COCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001317184595 957328645 /nfs/dbraw/zinc/32/86/45/957328645.db2.gz MZZLGIWYLQXODV-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP COCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001317184596 957329465 /nfs/dbraw/zinc/32/94/65/957329465.db2.gz MZZLGIWYLQXODV-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001367015345 957339133 /nfs/dbraw/zinc/33/91/33/957339133.db2.gz DXCLFCVSBUYAQG-ZBFHGGJFSA-N 2 0 289.423 1.890 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cnc(C)o1 ZINC001424838970 957377293 /nfs/dbraw/zinc/37/72/93/957377293.db2.gz PRWLEMRERZLVHK-VXGBXAGGSA-N 2 0 296.415 1.308 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CCCF ZINC001317246919 957378905 /nfs/dbraw/zinc/37/89/05/957378905.db2.gz XUVYGVGETQQPBB-QWHCGFSZSA-N 2 0 273.396 1.315 10 0 CDAERP CCN(C(=O)C[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001367076340 957387759 /nfs/dbraw/zinc/38/77/59/957387759.db2.gz IAIBJILTKFZUQW-HZPDHXFCSA-N 2 0 293.455 1.661 10 0 CDAERP CCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)C(C)(C)C1 ZINC001425326391 957515377 /nfs/dbraw/zinc/51/53/77/957515377.db2.gz WZXSMAHBNTWDNA-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001425417830 957529148 /nfs/dbraw/zinc/52/91/48/957529148.db2.gz XMDIBCZYFKBNSI-BZUAXINKSA-N 2 0 295.471 2.000 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccsc2)C1 ZINC001425421517 957531515 /nfs/dbraw/zinc/53/15/15/957531515.db2.gz WNZGYIZMPGIADU-HDJSIYSDSA-N 2 0 295.452 1.684 10 0 CDAERP C[C@@H]1COC[C@@H](C)C1[NH2+]CCC1CC[NH+](C)CC1 ZINC001332390774 957544003 /nfs/dbraw/zinc/54/40/03/957544003.db2.gz PWDQHIODFYECOQ-CHWSQXEVSA-N 2 0 254.418 1.979 10 0 CDAERP CN(CC[NH2+]CC1CC1)C(=O)C(C)(C)c1cnc[nH]1 ZINC001317654931 957625642 /nfs/dbraw/zinc/62/56/42/957625642.db2.gz MUAFJUKYSUJHHY-UHFFFAOYSA-N 2 0 264.373 1.145 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]C/C=C\Cl)CN1C(=O)C[NH+]1CCCC1 ZINC001425914347 957641284 /nfs/dbraw/zinc/64/12/84/957641284.db2.gz MEOOSNJUJYZXDH-CIUCYMIDSA-N 2 0 285.819 1.414 10 0 CDAERP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)[NH2+]C(C)C ZINC001367113517 957683135 /nfs/dbraw/zinc/68/31/35/957683135.db2.gz JEPHSPUPEXASRU-LSDHHAIUSA-N 2 0 283.460 2.000 10 0 CDAERP C[C@@H](C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)n1ccnc1 ZINC001318211521 957975607 /nfs/dbraw/zinc/97/56/07/957975607.db2.gz ILMDRQBPAYQCMF-NSHDSACASA-N 2 0 282.307 1.664 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](CCCCCF)C2)C1 ZINC001318370140 958061510 /nfs/dbraw/zinc/06/15/10/958061510.db2.gz GEIMRAMWHYFZMI-ZIAGYGMSSA-N 2 0 285.407 1.268 10 0 CDAERP C[C@@H](C[NH2+]CC1CC2(CCC2)C1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001367726691 958263987 /nfs/dbraw/zinc/26/39/87/958263987.db2.gz XZKMAOWQBCVIJU-DZGCQCFKSA-N 2 0 293.455 1.755 10 0 CDAERP Cc1ncc(C[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C(C)C)s1 ZINC001367776470 958323185 /nfs/dbraw/zinc/32/31/85/958323185.db2.gz NBISHWFKJUSNHN-NSHDSACASA-N 2 0 298.456 1.386 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]C/C=C/Cl ZINC001494949941 972347102 /nfs/dbraw/zinc/34/71/02/972347102.db2.gz OTEWBSQXSWCJMY-BAEOLTKYSA-N 2 0 273.808 1.318 10 0 CDAERP C[C@H](C[N@H+](C)CC1CCCC1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001367858044 958438168 /nfs/dbraw/zinc/43/81/68/958438168.db2.gz RLCDRBASUQFAME-UKRRQHHQSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+]CC1CCCC1 ZINC001319237844 958449582 /nfs/dbraw/zinc/44/95/82/958449582.db2.gz JMKCMZZHLSOIRP-CYBMUJFWSA-N 2 0 269.433 1.470 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001367963565 958524678 /nfs/dbraw/zinc/52/46/78/958524678.db2.gz TZHPANCYAZMJDQ-GOEBONIOSA-N 2 0 295.471 1.955 10 0 CDAERP CC[NH+]1CC2(C1)CCN(C(=O)CCCC[NH+](C)C)CC2 ZINC001319408680 958538185 /nfs/dbraw/zinc/53/81/85/958538185.db2.gz YLPBSJRGEBCVBJ-UHFFFAOYSA-N 2 0 281.444 1.663 10 0 CDAERP CN(C(=O)CC[NH+](C)C)C1C[NH+](CC[C@H]2CCCCO2)C1 ZINC001368081412 958622848 /nfs/dbraw/zinc/62/28/48/958622848.db2.gz CKKAZXJGDQVIEI-OAHLLOKOSA-N 2 0 297.443 1.040 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CC)[NH2+]CC1CC1 ZINC001494988804 972366701 /nfs/dbraw/zinc/36/67/01/972366701.db2.gz MKSKPSGMRGZAKM-HUUCEWRRSA-N 2 0 281.444 1.755 10 0 CDAERP CCCC[NH2+][C@@H](CC)CNC(=O)C12CCC[NH+]1CCC2 ZINC001495012818 972373453 /nfs/dbraw/zinc/37/34/53/972373453.db2.gz HPCDYCRJXAEICO-AWEZNQCLSA-N 2 0 281.444 1.899 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CC[NH2+]C(C)C)C2)CC[N@@H+]1C ZINC001368433000 958845476 /nfs/dbraw/zinc/84/54/76/958845476.db2.gz XMCRDHKEELLEDH-HRCADAONSA-N 2 0 295.471 1.953 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC2([NH2+]CCF)CCC2)C1 ZINC001368485002 958896113 /nfs/dbraw/zinc/89/61/13/958896113.db2.gz HXIVAOSJCQFWBK-ZIAGYGMSSA-N 2 0 299.434 1.705 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC2CC2)[C@@H]1CC)[NH+](C)C ZINC001368707800 959064460 /nfs/dbraw/zinc/06/44/60/959064460.db2.gz XPAKJEWOUCJADK-RRFJBIMHSA-N 2 0 281.444 1.706 10 0 CDAERP COC[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001368984938 959365120 /nfs/dbraw/zinc/36/51/20/959365120.db2.gz MHUFPBNAFJFYON-ZIAGYGMSSA-N 2 0 299.459 1.332 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CC(C)C ZINC001369008906 959394009 /nfs/dbraw/zinc/39/40/09/959394009.db2.gz RUTYBJGRIJCOFM-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@]2(C)C[N@H+](CCF)C[C@]2(C)C1 ZINC001369157591 959493511 /nfs/dbraw/zinc/49/35/11/959493511.db2.gz SUVCIWDZFXQGPA-GASCZTMLSA-N 2 0 285.407 1.078 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H]2C[NH+](CC)C[C@@H]2C1 ZINC001369164153 959496118 /nfs/dbraw/zinc/49/61/18/959496118.db2.gz UEWCIXWKZHYXFG-QLFBSQMISA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)C[NH2+]C/C=C\CNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001321110709 959596062 /nfs/dbraw/zinc/59/60/62/959596062.db2.gz MQFLWRPLTZIARP-MSNYOWOLSA-N 2 0 293.455 1.921 10 0 CDAERP CC[C@H](C(=O)NC/C=C/C[NH2+]Cc1ccccn1)[NH+](C)C ZINC001321108269 959597721 /nfs/dbraw/zinc/59/77/21/959597721.db2.gz FFOBXILMWFGCKT-MVGZEHJDSA-N 2 0 290.411 1.184 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1CCC[N@H+](CC2CCC2)C1)[NH+](C)C ZINC001369817668 959881468 /nfs/dbraw/zinc/88/14/68/959881468.db2.gz HVTCWXBMDXPYLX-HUUCEWRRSA-N 2 0 281.444 1.707 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1CC[NH+](CCCF)C1 ZINC001369987273 959944559 /nfs/dbraw/zinc/94/45/59/959944559.db2.gz QGCMMZCXWAZPJS-KBPBESRZSA-N 2 0 285.407 1.411 10 0 CDAERP CC(C)CCC[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001322072931 960073602 /nfs/dbraw/zinc/07/36/02/960073602.db2.gz HTABHNBFJQGDPA-KBPBESRZSA-N 2 0 269.433 1.469 10 0 CDAERP CC[C@H](C(=O)N1CC[C@H]([NH2+]CCC(C)(C)C)C1)[NH+](C)C ZINC001370406567 960084291 /nfs/dbraw/zinc/08/42/91/960084291.db2.gz WKSYVBBMWFHTHF-UONOGXRCSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]Cc1cncs1)[NH+](C)C ZINC001371353507 972484016 /nfs/dbraw/zinc/48/40/16/972484016.db2.gz VGQBCONPNJXIOJ-WCQYABFASA-N 2 0 298.456 1.324 10 0 CDAERP CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001495379645 972484548 /nfs/dbraw/zinc/48/45/48/972484548.db2.gz ODDPZWBXACSMFE-LSDHHAIUSA-N 2 0 283.460 1.811 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccns2)C1 ZINC001370708173 960186456 /nfs/dbraw/zinc/18/64/56/960186456.db2.gz YOHIADDCGZKPLS-TXEJJXNPSA-N 2 0 296.440 1.222 10 0 CDAERP CC1CC[NH+](CC(=O)N(C)CCC[NH2+]CC2CC2)CC1 ZINC001322758414 960314069 /nfs/dbraw/zinc/31/40/69/960314069.db2.gz XZGJXLONEGDJJG-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@H](C[NH2+]C/C=C\Cl)C2CC2)C1 ZINC001323065658 960431107 /nfs/dbraw/zinc/43/11/07/960431107.db2.gz UWIOGRVIEZIDFB-RIDZFXPKSA-N 2 0 299.846 1.565 10 0 CDAERP CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+](C(C)C)C2)C1 ZINC001433628052 960468951 /nfs/dbraw/zinc/46/89/51/960468951.db2.gz WNMCGOSMRGLQCH-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001323264833 960596543 /nfs/dbraw/zinc/59/65/43/960596543.db2.gz XVRLKNASLADHES-PRQMKSPXSA-N 2 0 281.444 1.873 10 0 CDAERP C[NH+](C)C1(CNC(=O)CC[N@@H+]2CC[C@@H](F)C2)CCC1 ZINC001433914932 960758213 /nfs/dbraw/zinc/75/82/13/960758213.db2.gz GGQCNZCOACGYKJ-GFCCVEGCSA-N 2 0 271.380 1.021 10 0 CDAERP Cc1cc(CN2CCC[C@@H]2CNC(=O)CC[NH+](C)C)no1 ZINC001418605962 960790356 /nfs/dbraw/zinc/79/03/56/960790356.db2.gz AAMLEPGQWMMIEC-CQSZACIVSA-N 2 0 294.399 1.015 10 0 CDAERP CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CCF)C1)[NH+]1CCCC1 ZINC001418666998 960878794 /nfs/dbraw/zinc/87/87/94/960878794.db2.gz OZRXRLDKMHTVSY-QLFBSQMISA-N 2 0 299.434 1.561 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001418921363 961157232 /nfs/dbraw/zinc/15/72/32/961157232.db2.gz SCHNOUZEMKIUFA-CABCVRRESA-N 2 0 299.434 1.659 10 0 CDAERP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]C/C=C\Cl ZINC001419277820 961575643 /nfs/dbraw/zinc/57/56/43/961575643.db2.gz CZRPWCUDAHGVKE-FOQNGQEVSA-N 2 0 273.808 1.319 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC001419492724 961759424 /nfs/dbraw/zinc/75/94/24/961759424.db2.gz UOSPDVXLDBQULD-LJIZCISZSA-N 2 0 293.455 1.611 10 0 CDAERP COC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001419521469 961789783 /nfs/dbraw/zinc/78/97/83/961789783.db2.gz VZOZWZCVNYUKJJ-SOUVJXGZSA-N 2 0 297.443 1.134 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001419530407 961793742 /nfs/dbraw/zinc/79/37/42/961793742.db2.gz RUPAWFKDGNACKK-UONOGXRCSA-N 2 0 281.444 1.470 10 0 CDAERP C[C@@H](C[NH2+]CC1CCC1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001419708129 962001741 /nfs/dbraw/zinc/00/17/41/962001741.db2.gz YBUGRQQLZDNKTG-DZKIICNBSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccsc1 ZINC001419737608 962054846 /nfs/dbraw/zinc/05/48/46/962054846.db2.gz IUADQFCXKMQDBV-OUCADQQQSA-N 2 0 295.452 1.683 10 0 CDAERP CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1cnc(C)o1)[NH+](C)C ZINC001419741504 962058709 /nfs/dbraw/zinc/05/87/09/962058709.db2.gz VXUQYCKFMNTCBA-SMDDNHRTSA-N 2 0 296.415 1.260 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001420010782 962367659 /nfs/dbraw/zinc/36/76/59/962367659.db2.gz FLOAYONGCITXJT-ZDUSSCGKSA-N 2 0 287.423 1.467 10 0 CDAERP CC[NH2+][C@@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC001436807052 962429801 /nfs/dbraw/zinc/42/98/01/962429801.db2.gz MSTQBZICDXTSFY-XJKSGUPXSA-N 2 0 299.434 1.703 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001436844551 962452774 /nfs/dbraw/zinc/45/27/74/962452774.db2.gz AUOOYRJSDACSAB-OAHLLOKOSA-N 2 0 281.444 1.663 10 0 CDAERP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]Cc1nccs1 ZINC001420166881 962515366 /nfs/dbraw/zinc/51/53/66/962515366.db2.gz YWFDWZSLKHQJAX-GFCCVEGCSA-N 2 0 296.440 1.223 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCCC[NH+]1CC1CC1 ZINC001437043748 962574268 /nfs/dbraw/zinc/57/42/68/962574268.db2.gz DSDIZSCNUFMCSN-HNNXBMFYSA-N 2 0 281.444 1.707 10 0 CDAERP O=c1[nH]c2cccc(CNCCC[NH+]3CCC3)c2o1 ZINC001339872369 962595730 /nfs/dbraw/zinc/59/57/30/962595730.db2.gz UESFAEWRGKXSAT-UHFFFAOYSA-N 2 0 261.325 1.719 10 0 CDAERP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccccc1F ZINC001437257734 962770106 /nfs/dbraw/zinc/77/01/06/962770106.db2.gz FIAILESIGGJEHE-CYBMUJFWSA-N 2 0 293.386 1.516 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH2+]CCC(C)(C)C ZINC001437259368 962774228 /nfs/dbraw/zinc/77/42/28/962774228.db2.gz FEOSHAPCFBRZTE-ZDUSSCGKSA-N 2 0 271.449 1.857 10 0 CDAERP Cc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001437260847 962775772 /nfs/dbraw/zinc/77/57/72/962775772.db2.gz LXNFLIPETGLWRY-GDBMZVCRSA-N 2 0 289.423 1.541 10 0 CDAERP C[C@@H](C[NH2+]CC1CC(C)C1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001420460447 962933845 /nfs/dbraw/zinc/93/38/45/962933845.db2.gz RIQGPGHZIVGZCN-SHWKFHJASA-N 2 0 281.444 1.611 10 0 CDAERP CCCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](CCC)C1 ZINC001420822239 963277561 /nfs/dbraw/zinc/27/75/61/963277561.db2.gz DEKHAWUZQZDSNM-OAHLLOKOSA-N 2 0 281.444 1.805 10 0 CDAERP CC1CC(C[N@H+](C)C[C@H]2CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001420929966 963366527 /nfs/dbraw/zinc/36/65/27/963366527.db2.gz CYHPOSLZAMTXQJ-HWOWSKLDSA-N 2 0 295.471 1.765 10 0 CDAERP CO[C@@H](C)C[N@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001420953046 963381789 /nfs/dbraw/zinc/38/17/89/963381789.db2.gz PTCWJPSOXCDESN-LSDHHAIUSA-N 2 0 299.459 1.142 10 0 CDAERP C[C@@H](F)CC[NH+]1CC(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001421190279 963492019 /nfs/dbraw/zinc/49/20/19/963492019.db2.gz KQBAOSOIXMBQDG-CQSZACIVSA-N 2 0 299.434 1.659 10 0 CDAERP CN(CC[N@H+](C)CC1CC1)C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001438919404 963598868 /nfs/dbraw/zinc/59/88/68/963598868.db2.gz GJTHUKQMVXCBPI-HOTGVXAUSA-N 2 0 293.455 1.804 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]CC2CCC2)CC[N@@H+]1C ZINC001439107791 963644161 /nfs/dbraw/zinc/64/41/61/963644161.db2.gz FTKGJVVELJGTIS-VHDGCEQUSA-N 2 0 281.444 1.611 10 0 CDAERP CCC(CC)C[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001439405370 963754828 /nfs/dbraw/zinc/75/48/28/963754828.db2.gz GYCNDTYOPZRDJB-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP CCCC[NH+]1CC(N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001439723695 963846134 /nfs/dbraw/zinc/84/61/34/963846134.db2.gz BAKFRFBLVRAFNJ-AWEZNQCLSA-N 2 0 281.444 1.804 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCF)[C@H](C)C1 ZINC001440654154 964128669 /nfs/dbraw/zinc/12/86/69/964128669.db2.gz TWIRHHHTHJBYDA-CHWSQXEVSA-N 2 0 273.396 1.265 10 0 CDAERP CC(C)[NH2+]CC1CC(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001440756542 964160173 /nfs/dbraw/zinc/16/01/73/964160173.db2.gz ARERQIWBJWGIMK-NRXISQOPSA-N 2 0 281.444 1.754 10 0 CDAERP CC(C)CC[N@H+](C)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001440960432 964292922 /nfs/dbraw/zinc/29/29/22/964292922.db2.gz RZPYOZWATUQDJH-CQSZACIVSA-N 2 0 283.460 1.811 10 0 CDAERP CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001441309470 964457163 /nfs/dbraw/zinc/45/71/63/964457163.db2.gz SWCFNNFCUXLQKP-QKDCVEJESA-N 2 0 293.455 1.422 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC2CC2)C1 ZINC001441904779 964776256 /nfs/dbraw/zinc/77/62/56/964776256.db2.gz WFMXDAJDOWERLK-HUUCEWRRSA-N 2 0 281.444 1.611 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CCF)C(C)(C)C1 ZINC001441927311 964790794 /nfs/dbraw/zinc/79/07/94/964790794.db2.gz DKXRRVGRTZVHNO-GFCCVEGCSA-N 2 0 273.396 1.124 10 0 CDAERP C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC001345810517 964824119 /nfs/dbraw/zinc/82/41/19/964824119.db2.gz RPYLQJAGFGCMRW-JHJVBQTASA-N 2 0 255.406 1.398 10 0 CDAERP C[C@H](NC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C1=CC[N@H+](C)CC1 ZINC001556159943 965003668 /nfs/dbraw/zinc/00/36/68/965003668.db2.gz LNCPSLQQKNUCBF-IMJJTQAJSA-N 2 0 293.455 1.873 10 0 CDAERP C[NH+](C)CC[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001558293695 965261724 /nfs/dbraw/zinc/26/17/24/965261724.db2.gz QVSFLNSFDSOKBW-CYBMUJFWSA-N 2 0 267.417 1.271 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+](CC(C)C)C2CC2)CC[N@@H+]1C ZINC001443000564 965318144 /nfs/dbraw/zinc/31/81/44/965318144.db2.gz YOEBWIIBRARSIH-JKSUJKDBSA-N 2 0 295.471 1.953 10 0 CDAERP CCC[N@H+](CCNC(=O)COC1CC[NH+](C)CC1)C1CC1 ZINC001443041757 965333690 /nfs/dbraw/zinc/33/36/90/965333690.db2.gz CVVQEMBDHYMZST-UHFFFAOYSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N(C)CC[NH+]1CCCC1 ZINC001443245739 965413919 /nfs/dbraw/zinc/41/39/19/965413919.db2.gz ZGIFGZAPNACYNC-ZDUSSCGKSA-N 2 0 255.406 1.128 10 0 CDAERP CC[C@@H](F)CN1CCC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001443440413 965466580 /nfs/dbraw/zinc/46/65/80/965466580.db2.gz IIJNSJQASFEZJV-HZSPNIEDSA-N 2 0 287.423 1.655 10 0 CDAERP C[C@H](C[NH2+]CC1CC1)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001444590155 965892996 /nfs/dbraw/zinc/89/29/96/965892996.db2.gz AYSPAJPATDYIAP-DOMZBBRYSA-N 2 0 279.428 1.175 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)[C@@H](C)C[NH2+]CC1CCCC1 ZINC001444706752 965928484 /nfs/dbraw/zinc/92/84/84/965928484.db2.gz LXJFZXUHSAVRIH-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP CC[N@H+](C)C[C@H]1CCN(C(=O)C2([NH+](C)C)CCCC2)C1 ZINC001445061943 966082560 /nfs/dbraw/zinc/08/25/60/966082560.db2.gz ZHVXMSGWUCPSRG-CQSZACIVSA-N 2 0 281.444 1.661 10 0 CDAERP [NH3+]Cc1ccc(CNC(=O)[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC001349420943 966344166 /nfs/dbraw/zinc/34/41/66/966344166.db2.gz QOXWAZPOOHGSFY-ZIAGYGMSSA-N 2 0 261.369 1.279 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)C1C[NH+](CC(CC)CC)C1 ZINC001446400426 966535699 /nfs/dbraw/zinc/53/56/99/966535699.db2.gz UPDHAOVXPGKRJX-UHFFFAOYSA-N 2 0 283.460 1.907 10 0 CDAERP CCC(CC)C[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001447577544 966822074 /nfs/dbraw/zinc/82/20/74/966822074.db2.gz ZDPLNNXFCRONIS-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NCC[C@H](C)[NH2+]Cc1cccnc1 ZINC001447696879 966848714 /nfs/dbraw/zinc/84/87/14/966848714.db2.gz KTSIFJHYPGEBMK-AWEZNQCLSA-N 2 0 292.427 1.406 10 0 CDAERP C[NH+](C)CCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001538774886 967070891 /nfs/dbraw/zinc/07/08/91/967070891.db2.gz GBGKSARPNDIFPF-CHWSQXEVSA-N 2 0 255.406 1.175 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC001543264773 967286468 /nfs/dbraw/zinc/28/64/68/967286468.db2.gz HLQYLAVBOMCHHJ-CHWSQXEVSA-N 2 0 255.406 1.032 10 0 CDAERP CCC[NH+]1CCN(C(=O)C2CC[NH+](CC(C)C)CC2)CC1 ZINC001464808692 969819508 /nfs/dbraw/zinc/81/95/08/969819508.db2.gz NNBQOJXXFVPHPV-UHFFFAOYSA-N 2 0 295.471 1.909 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)C1([NH+](C)C)CCCC1 ZINC001546151635 969847082 /nfs/dbraw/zinc/84/70/82/969847082.db2.gz ATHQQBXAPVVOFZ-UHFFFAOYSA-N 2 0 255.406 1.271 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC001361665071 970395270 /nfs/dbraw/zinc/39/52/70/970395270.db2.gz BEKIMOLDKNOFHA-CYBMUJFWSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]CC[C@@H]1CCCO1 ZINC001496252235 972857562 /nfs/dbraw/zinc/85/75/62/972857562.db2.gz XJLQBKWQFCRDSG-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@]12CC[NH+](C1)CCC2)CC1CCC1 ZINC001372464491 972964777 /nfs/dbraw/zinc/96/47/77/972964777.db2.gz XUZJNQIIWZHAOX-KRWDZBQOSA-N 2 0 293.455 1.711 10 0 CDAERP CC(C)[NH2+]CCN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001372942588 973202812 /nfs/dbraw/zinc/20/28/12/973202812.db2.gz GALHSMVQSUTILS-OAHLLOKOSA-N 2 0 287.423 1.655 10 0 CDAERP CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@H]1C ZINC001417852125 973418552 /nfs/dbraw/zinc/41/85/52/973418552.db2.gz OIFCDGWKVHTBFX-CABCVRRESA-N 2 0 281.444 1.851 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CC[C@@H]2CCCO2)C1 ZINC001417913395 973471000 /nfs/dbraw/zinc/47/10/00/973471000.db2.gz KBSTURZNCPMUJT-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)CCC[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001373507122 973475129 /nfs/dbraw/zinc/47/51/29/973475129.db2.gz ANQQNRBLBLVEMK-GDBMZVCRSA-N 2 0 295.471 1.811 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001417935841 973482981 /nfs/dbraw/zinc/48/29/81/973482981.db2.gz QUKSNCMVLMPDOA-STQMWFEESA-N 2 0 285.407 1.409 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C[NH2+]CC1CC(C)C1)[NH+](C)C ZINC001497836302 973545083 /nfs/dbraw/zinc/54/50/83/973545083.db2.gz VXRNLMVILNCVOB-FKZOYECMSA-N 2 0 269.433 1.467 10 0 CDAERP C[C@@H]1CC[C@H](C[NH2+][C@H]2C[C@@H](NC(=O)CCC[NH+](C)C)C2)O1 ZINC001418101311 973587344 /nfs/dbraw/zinc/58/73/44/973587344.db2.gz DKHQVXHIXSSOSW-APIJFGDWSA-N 2 0 297.443 1.133 10 0 CDAERP C[C@H](C[NH2+]CCC1CC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001497963010 973592160 /nfs/dbraw/zinc/59/21/60/973592160.db2.gz NJGWXLJMHPQMHK-OCCSQVGLSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2)C1 ZINC001418114713 973594503 /nfs/dbraw/zinc/59/45/03/973594503.db2.gz VRDMQMRVLRHPHG-IYBDPMFKSA-N 2 0 289.423 1.764 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCC(F)(F)F ZINC001373735883 973606851 /nfs/dbraw/zinc/60/68/51/973606851.db2.gz BLYRTUCCFZQGMV-QWRGUYRKSA-N 2 0 295.349 1.517 10 0 CDAERP CCCCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001498190068 973734234 /nfs/dbraw/zinc/73/42/34/973734234.db2.gz KVASJBDHJREHNN-QWHCGFSZSA-N 2 0 255.406 1.223 10 0 CDAERP CO[C@H](C)C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCCC1 ZINC001374180853 973809426 /nfs/dbraw/zinc/80/94/26/973809426.db2.gz UPIWNXOFLUMFDY-CQSZACIVSA-N 2 0 297.443 1.136 10 0 CDAERP COCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001498327736 973833226 /nfs/dbraw/zinc/83/32/26/973833226.db2.gz YVDKPXLLMVBNLU-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP CCN1CC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001418470916 973877913 /nfs/dbraw/zinc/87/79/13/973877913.db2.gz HBOLZOCPTFQKFY-HUUCEWRRSA-N 2 0 279.428 1.604 10 0 CDAERP CC(C)[NH+](C)CC(=O)N[C@H](C)C[N@H+](C)CC1CC(C)C1 ZINC001498456242 973926048 /nfs/dbraw/zinc/92/60/48/973926048.db2.gz LUVGVYQYWZUIKC-SHARSMKWSA-N 2 0 283.460 1.809 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001498736171 974039398 /nfs/dbraw/zinc/03/93/98/974039398.db2.gz NTYBAYAFEFHUFV-CABCVRRESA-N 2 0 281.444 1.611 10 0 CDAERP O=C(N[C@H](C[NH2+]CCCF)C1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001498759725 974052216 /nfs/dbraw/zinc/05/22/16/974052216.db2.gz JTQRPFOHXBYJHA-LSDHHAIUSA-N 2 0 297.418 1.172 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001374945239 974187601 /nfs/dbraw/zinc/18/76/01/974187601.db2.gz VGMXAMNCQMPLST-ZFWWWQNUSA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)C[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001499261204 974223949 /nfs/dbraw/zinc/22/39/49/974223949.db2.gz ILYOZLDHLVHJPZ-LSDHHAIUSA-N 2 0 293.455 1.898 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CC[NH+]1CC1CC1 ZINC001375317303 974329871 /nfs/dbraw/zinc/32/98/71/974329871.db2.gz FPJGXLOLXFHJSJ-HUUCEWRRSA-N 2 0 279.428 1.461 10 0 CDAERP C[C@H](F)CC[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001375440301 974382466 /nfs/dbraw/zinc/38/24/66/974382466.db2.gz ZVXJCFYJNLSFJK-ZDUSSCGKSA-N 2 0 297.418 1.601 10 0 CDAERP CCC[N@@H+]1CC[C@](C)(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001500228757 974407278 /nfs/dbraw/zinc/40/72/78/974407278.db2.gz YXURVTZPWKYIDY-HOCLYGCPSA-N 2 0 281.444 1.851 10 0 CDAERP CC(C)OCC[NH2+]C[C@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001500375988 974430014 /nfs/dbraw/zinc/43/00/14/974430014.db2.gz DHSSTURXVMRTJV-INIZCTEOSA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC[N@@H+]1CC ZINC001375602629 974432876 /nfs/dbraw/zinc/43/28/76/974432876.db2.gz IFMULMGCZYMOEF-QLFBSQMISA-N 2 0 281.444 1.850 10 0 CDAERP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](CCC[C@@H](C)O)C1 ZINC001376065696 974549745 /nfs/dbraw/zinc/54/97/45/974549745.db2.gz ARONKYDDFCUCQW-HUUCEWRRSA-N 2 0 299.459 1.068 10 0 CDAERP CC[C@H](C)C[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001376068379 974551322 /nfs/dbraw/zinc/55/13/22/974551322.db2.gz GHVJDUJAICTGFZ-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001376137500 974578850 /nfs/dbraw/zinc/57/88/50/974578850.db2.gz ZOJWZDJRNLKGBH-CQSZACIVSA-N 2 0 281.444 1.707 10 0 CDAERP CCCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001501569246 974601738 /nfs/dbraw/zinc/60/17/38/974601738.db2.gz VIZYCBMRHGDHIT-OWCLPIDISA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@@H+]1CCc2c(CNC(=O)CC[NH+](C)C)cccc2C1 ZINC001501853673 974650193 /nfs/dbraw/zinc/65/01/93/974650193.db2.gz DJFDCMDSLVJEHY-UHFFFAOYSA-N 2 0 289.423 1.633 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CCC[N@H+](CC2CC2)CC1)[NH+](C)C ZINC001376882237 974800443 /nfs/dbraw/zinc/80/04/43/974800443.db2.gz MMBQTBNATAVGQR-LSDHHAIUSA-N 2 0 281.444 1.707 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+](C/C=C/Cl)C1 ZINC001377452931 975033474 /nfs/dbraw/zinc/03/34/74/975033474.db2.gz NJSCCLHFTZHKSP-MJRJWQSSSA-N 2 0 273.808 1.129 10 0 CDAERP CC[C@H](F)CN(CCNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001377520669 975062586 /nfs/dbraw/zinc/06/25/86/975062586.db2.gz VHPHBRVVFFGHEX-JSGCOSHPSA-N 2 0 285.407 1.409 10 0 CDAERP CCCC[C@H](C[NH2+]CCC)NC(=O)C12CC[NH+](CC1)C2 ZINC001506564694 975180291 /nfs/dbraw/zinc/18/02/91/975180291.db2.gz ZQVDDGAGIOFMFH-CQSZACIVSA-N 2 0 281.444 1.757 10 0 CDAERP CC[C@@H](C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001506829110 975230181 /nfs/dbraw/zinc/23/01/81/975230181.db2.gz SJZOTZMIAVXWPH-FPCVCCKLSA-N 2 0 293.455 1.422 10 0 CDAERP CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001506902641 975252777 /nfs/dbraw/zinc/25/27/77/975252777.db2.gz ATMSHZXNZBPUKZ-KKUMJFAQSA-N 2 0 283.460 1.857 10 0 CDAERP CC[C@@H](F)C[NH2+][C@@H](C)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001507117019 975343156 /nfs/dbraw/zinc/34/31/56/975343156.db2.gz IPFLOEXSTXMZQT-QWHCGFSZSA-N 2 0 287.423 1.513 10 0 CDAERP CC(C)[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]21 ZINC001507360324 975428579 /nfs/dbraw/zinc/42/85/79/975428579.db2.gz GOUWFJXSWLVRSH-ARFHVFGLSA-N 2 0 295.471 1.953 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1[C@H]2C[NH+](CCF)C[C@H]21 ZINC001378704805 975449774 /nfs/dbraw/zinc/44/97/74/975449774.db2.gz ONJWZARNYNAYTA-TUVASFSCSA-N 2 0 297.418 1.124 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2C[C@@H]([NH2+]CC3CC3)C2)C1 ZINC001397101107 975462238 /nfs/dbraw/zinc/46/22/38/975462238.db2.gz WGPZUQRUZMHLTL-SOUVJXGZSA-N 2 0 279.428 1.223 10 0 CDAERP Cc1noc(C)c1C[NH2+]C[C@H](C)CNC(=O)CC[NH+](C)C ZINC001401128226 975476321 /nfs/dbraw/zinc/47/63/21/975476321.db2.gz OVOUCTFNFMTJQM-NSHDSACASA-N 2 0 296.415 1.085 10 0 CDAERP C[C@H](C[NH2+]CC1CCCC1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001401257753 975549638 /nfs/dbraw/zinc/54/96/38/975549638.db2.gz RTSVRKYWVYICKG-CQSZACIVSA-N 2 0 293.455 1.709 10 0 CDAERP C[N@H+](CC(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CC2)C1)C1CCC1 ZINC001388679949 975550302 /nfs/dbraw/zinc/55/03/02/975550302.db2.gz BPNVJNMTVBYRNM-GASCZTMLSA-N 2 0 293.455 1.755 10 0 CDAERP CC(C)[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001378962638 975566137 /nfs/dbraw/zinc/56/61/37/975566137.db2.gz BUENHILDDDGNAG-HUUCEWRRSA-N 2 0 283.460 1.998 10 0 CDAERP CC(C)C[C@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001404987662 975575365 /nfs/dbraw/zinc/57/53/65/975575365.db2.gz MGPBBGNNQSUJOE-JYJNAYRXSA-N 2 0 295.471 1.905 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CC2CCC2)[C@@H]1C)[NH+](C)C ZINC001388783777 975591934 /nfs/dbraw/zinc/59/19/34/975591934.db2.gz MAAYWWNXVQFXKL-VNQPRFMTSA-N 2 0 295.471 1.952 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCCCC[C@H]([NH2+]CCF)C1 ZINC001388815820 975608136 /nfs/dbraw/zinc/60/81/36/975608136.db2.gz ULKRKIMELVFIEW-AWEZNQCLSA-N 2 0 287.423 1.659 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N(C)[C@H]1CC[N@H+](CC2CC2)C1 ZINC001405119428 975633563 /nfs/dbraw/zinc/63/35/63/975633563.db2.gz ILQHQXHTLJGMRC-GJZGRUSLSA-N 2 0 299.434 1.609 10 0 CDAERP CC[C@@H](C(=O)NCC1=CC[N@H+](CCCF)CC1)[NH+](C)C ZINC001508220612 975642112 /nfs/dbraw/zinc/64/21/12/975642112.db2.gz VATSLKBBFSKAJB-AWEZNQCLSA-N 2 0 285.407 1.435 10 0 CDAERP CCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@@H+]([C@H](C)COC)C1 ZINC001405186107 975663527 /nfs/dbraw/zinc/66/35/27/975663527.db2.gz ADJOFOYTMLAQAX-HUUCEWRRSA-N 2 0 299.459 1.284 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)CC[C@@H]21 ZINC001379169408 975700368 /nfs/dbraw/zinc/70/03/68/975700368.db2.gz RLHIWBPXCPCXEO-CVEARBPZSA-N 2 0 295.471 1.907 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1ccccc1F)[NH+](C)C ZINC001401632364 975750053 /nfs/dbraw/zinc/75/00/53/975750053.db2.gz GBKWFYRHJXSFAN-IUODEOHRSA-N 2 0 295.402 1.760 10 0 CDAERP C[C@@H](C[NH2+]Cc1cccnc1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001401692391 975804425 /nfs/dbraw/zinc/80/44/25/975804425.db2.gz JHISLVUBYIBYAE-DZGCQCFKSA-N 2 0 290.411 1.160 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1CCN(Cc2ccsc2)C1)[NH+](C)C ZINC001389502355 975874589 /nfs/dbraw/zinc/87/45/89/975874589.db2.gz FGZFBGNCYAWIHS-ZIAGYGMSSA-N 2 0 295.452 1.779 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001398555474 976038644 /nfs/dbraw/zinc/03/86/44/976038644.db2.gz IJFXLOWVONPNOZ-JHJVBQTASA-N 2 0 271.380 1.067 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2)C1 ZINC001398584253 976059320 /nfs/dbraw/zinc/05/93/20/976059320.db2.gz VRDMQMRVLRHPHG-WKILWMFISA-N 2 0 289.423 1.764 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001389971223 976067733 /nfs/dbraw/zinc/06/77/33/976067733.db2.gz IZDUJEJZTLKOJC-RZFFKMDDSA-N 2 0 297.418 1.313 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC[C@@H](C)F)C1 ZINC001389974263 976071329 /nfs/dbraw/zinc/07/13/29/976071329.db2.gz GKZQBRSEORLGBF-KBXIAJHMSA-N 2 0 299.434 1.846 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2conc2C)C1)[NH+](C)C ZINC001398628866 976082558 /nfs/dbraw/zinc/08/25/58/976082558.db2.gz SPGOOYOJBCMLQI-MJBXVCDLSA-N 2 0 294.399 1.060 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001390063428 976110035 /nfs/dbraw/zinc/11/00/35/976110035.db2.gz KNMHOKJDWLOHJI-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)CC[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001402086510 976115759 /nfs/dbraw/zinc/11/57/59/976115759.db2.gz OBPROKIADDZOPZ-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CCN(CC[NH2+]C(C)C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001406345973 976140929 /nfs/dbraw/zinc/14/09/29/976140929.db2.gz ZMBVKWBUNLJUCR-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@H](C[NH2+]Cc1ccsc1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001406393700 976161943 /nfs/dbraw/zinc/16/19/43/976161943.db2.gz NLNXYZHNEBSPGH-OCCSQVGLSA-N 2 0 295.452 1.827 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1CC[C@@H]1CCCCO1 ZINC001380017392 976191741 /nfs/dbraw/zinc/19/17/41/976191741.db2.gz RVLOLJAFFVQKBZ-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP Cc1cc(C[NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)C2)cs1 ZINC001402446688 976288078 /nfs/dbraw/zinc/28/80/78/976288078.db2.gz YPKCNSXIDBISOO-AWEZNQCLSA-N 2 0 295.452 1.699 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@]1(C)CC[NH+](CCC2CC2)C1 ZINC001380376873 976391275 /nfs/dbraw/zinc/39/12/75/976391275.db2.gz HREWQQFLGGHFOS-MRXNPFEDSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@@H](F)C[N@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001399278846 976410331 /nfs/dbraw/zinc/41/03/31/976410331.db2.gz LSEAMNRBRUIHTD-CABCVRRESA-N 2 0 299.434 1.753 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC2)C1 ZINC001402632513 976411388 /nfs/dbraw/zinc/41/13/88/976411388.db2.gz OVWGGQSKQZIHLM-GASCZTMLSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001406815690 976418337 /nfs/dbraw/zinc/41/83/37/976418337.db2.gz KEYFCYGNRXTONI-CABCVRRESA-N 2 0 281.444 1.707 10 0 CDAERP CCC[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001402755887 976465621 /nfs/dbraw/zinc/46/56/21/976465621.db2.gz RHXDFZKRQARRSS-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001402788862 976483003 /nfs/dbraw/zinc/48/30/03/976483003.db2.gz COMUGFOMSGSLFF-CQSZACIVSA-N 2 0 283.460 1.811 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](C[NH2+]CC(C)C)C1 ZINC001380691984 976517551 /nfs/dbraw/zinc/51/75/51/976517551.db2.gz SFBHTUQPODSYQI-LSDHHAIUSA-N 2 0 283.460 1.668 10 0 CDAERP CN(C(=O)C1([NH+](C)C)CCC1)C1C[NH+](CC2CCCC2)C1 ZINC001407051592 976528267 /nfs/dbraw/zinc/52/82/67/976528267.db2.gz IGNLEGKPNRQYLE-UHFFFAOYSA-N 2 0 293.455 1.804 10 0 CDAERP C[NH+](C)CCC(=O)NCC[N@H+](C)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001399566192 976570276 /nfs/dbraw/zinc/57/02/76/976570276.db2.gz DNVXGNMHNULVNC-KFWWJZLASA-N 2 0 281.444 1.422 10 0 CDAERP CC(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001380853983 976578041 /nfs/dbraw/zinc/57/80/41/976578041.db2.gz ZZDSNQMQSXGRNI-AWEZNQCLSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001402933728 976598783 /nfs/dbraw/zinc/59/87/83/976598783.db2.gz MCOJDDVBSGBKHQ-JKSUJKDBSA-N 2 0 295.471 1.907 10 0 CDAERP CC[C@H](C(=O)NCC[N@H+](C)Cc1ccsc1)[NH+](C)C ZINC001399637015 976613667 /nfs/dbraw/zinc/61/36/67/976613667.db2.gz DZNDXJJXNAOQQB-CYBMUJFWSA-N 2 0 283.441 1.636 10 0 CDAERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CC[C@H](C)F ZINC001402991356 976646948 /nfs/dbraw/zinc/64/69/48/976646948.db2.gz DUMWPGKUJATGBL-QWHCGFSZSA-N 2 0 287.423 1.703 10 0 CDAERP CC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001403001890 976653840 /nfs/dbraw/zinc/65/38/40/976653840.db2.gz SVJSIBQVGHTTHV-WDEREUQCSA-N 2 0 283.441 1.926 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CCC2CC2)C1 ZINC001381123327 976681855 /nfs/dbraw/zinc/68/18/55/976681855.db2.gz LNHUVDGNTLKJFW-HIFRSBDPSA-N 2 0 281.444 1.565 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001403074012 976693144 /nfs/dbraw/zinc/69/31/44/976693144.db2.gz HOEAIPUOSJXFPR-KBPBESRZSA-N 2 0 299.459 1.238 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)CC1CCC1 ZINC001403171405 976781996 /nfs/dbraw/zinc/78/19/96/976781996.db2.gz ODTWOCMIJNLNRS-DZKIICNBSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)C[N@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001400235651 976943759 /nfs/dbraw/zinc/94/37/59/976943759.db2.gz ZEQNXQCQMXZUFJ-OAHLLOKOSA-N 2 0 281.444 1.519 10 0 CDAERP Cc1nc(C[NH2+][C@@H](C)CCNC(=O)CC[NH+](C)C)c(C)o1 ZINC001403429822 976950349 /nfs/dbraw/zinc/95/03/49/976950349.db2.gz JSGQIQZWCDCANQ-NSHDSACASA-N 2 0 296.415 1.228 10 0 CDAERP CCCC[NH+]1CCC(CO)(NC(=O)CC[N@H+](C)CC)CC1 ZINC001408275511 976985841 /nfs/dbraw/zinc/98/58/41/976985841.db2.gz BAHMKDDTFBUVJJ-UHFFFAOYSA-N 2 0 299.459 1.071 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+](C)CC2CC(C)(C)C2)C1 ZINC001403686107 977143124 /nfs/dbraw/zinc/14/31/24/977143124.db2.gz MKZPLRWZGRUIIM-CQSZACIVSA-N 2 0 295.471 1.812 10 0 CDAERP C[C@H]1[C@H]([NH2+]CC2CC(C)(C)C2)CCN1C(=O)CC[NH+](C)C ZINC001403736813 977166442 /nfs/dbraw/zinc/16/64/42/977166442.db2.gz BSFZKULCDFFJHN-DZGCQCFKSA-N 2 0 295.471 1.953 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC2CC2)C(C)(C)C1 ZINC001403832341 977221913 /nfs/dbraw/zinc/22/19/13/977221913.db2.gz VHVNWGDVGSEZIR-AWEZNQCLSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]C[C@H]1CCCCO1 ZINC001400939664 977251293 /nfs/dbraw/zinc/25/12/93/977251293.db2.gz ZVXQQXDGJGPDRL-HUUCEWRRSA-N 2 0 297.443 1.136 10 0 CDAERP CC(C)[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC1CCCC1 ZINC001392255895 977284949 /nfs/dbraw/zinc/28/49/49/977284949.db2.gz ZPWPUDMVQXTEBD-JKSUJKDBSA-N 2 0 295.471 1.859 10 0 CDAERP C[NH+](C)CCC(=O)NCC[N@H+](Cc1ccsc1)C1CC1 ZINC001404267647 977386911 /nfs/dbraw/zinc/38/69/11/977386911.db2.gz XDEKTQMOULZPFK-UHFFFAOYSA-N 2 0 295.452 1.780 10 0 CDAERP CCCC[N@H+](C)CCN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001392316048 977403746 /nfs/dbraw/zinc/40/37/46/977403746.db2.gz QNWQEQYUZZCDQG-UHFFFAOYSA-N 2 0 299.459 1.288 10 0 CDAERP C[C@H]1CC[C@@H](C[N@H+](C)CCN(C)C(=O)C[NH+]2CCCC2)O1 ZINC001392327978 977409350 /nfs/dbraw/zinc/40/93/50/977409350.db2.gz YGAVTHIBRPEMAY-GJZGRUSLSA-N 2 0 297.443 1.040 10 0 CDAERP CC1CC(C[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C2CC2)C1 ZINC001392786695 977597539 /nfs/dbraw/zinc/59/75/39/977597539.db2.gz CEHPKJRMTFQKSP-PIMMBPRGSA-N 2 0 281.444 1.469 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CC3CC3)CCC2)CC[N@@H+]1C ZINC001393537678 977823842 /nfs/dbraw/zinc/82/38/42/977823842.db2.gz PGIRKMPYSONOOX-LSDHHAIUSA-N 2 0 293.455 1.755 10 0 CDAERP CC(C)CCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001394048869 978029894 /nfs/dbraw/zinc/02/98/94/978029894.db2.gz ZHVXTKFXDZSBIJ-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CC[NH+]1CC([C@@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001394275777 978122537 /nfs/dbraw/zinc/12/25/37/978122537.db2.gz ZMJJTYURQUUEDH-ZBFHGGJFSA-N 2 0 295.471 1.953 10 0 CDAERP CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001394340862 978137063 /nfs/dbraw/zinc/13/70/63/978137063.db2.gz NIKHEAYVCPDTKI-PHZGNYQRSA-N 2 0 293.455 1.566 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]C/C=C/Cl)CN1C(=O)CC[NH+](C)C ZINC001394673854 978222391 /nfs/dbraw/zinc/22/23/91/978222391.db2.gz SQRUUJNGMPIINS-XCOQAZTISA-N 2 0 273.808 1.270 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]([NH2+]C/C=C\Cl)C(C)(C)C2)C1 ZINC001394717712 978239623 /nfs/dbraw/zinc/23/96/23/978239623.db2.gz SCCKUMAQXGPKJD-ODBHDECVSA-N 2 0 299.846 1.517 10 0 CDAERP CCCCC[NH2+][C@@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001676481632 1174230929 /nfs/dbraw/zinc/23/09/29/1174230929.db2.gz UIXWJNYTNIEDOU-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001571117788 1170337302 /nfs/dbraw/zinc/33/73/02/1170337302.db2.gz IINXHSZSQOUBAS-RBSFLKMASA-N 2 0 281.444 1.754 10 0 CDAERP CC[N@H+]1CC=C(CNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001571696912 1170526867 /nfs/dbraw/zinc/52/68/67/1170526867.db2.gz KARPISBLSHLRIK-UHFFFAOYSA-N 2 0 279.428 1.487 10 0 CDAERP CC(C)(C)OC(=O)COCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000601145562 342481357 /nfs/dbraw/zinc/48/13/57/342481357.db2.gz YDXOAHOLEQMTEY-KBPBESRZSA-N 2 0 298.427 1.561 10 0 CDAERP CN(CC[NH+]1CCCCC1)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000650725258 398164903 /nfs/dbraw/zinc/16/49/03/398164903.db2.gz XCCCDOHOOASPKY-CQSZACIVSA-N 2 0 282.432 1.208 10 0 CDAERP Cc1ccc2[nH+]ccc(NCCN3CC[NH+](C)CC3)c2c1 ZINC000354523173 365528522 /nfs/dbraw/zinc/52/85/22/365528522.db2.gz PUCGJVWVBYQSMM-UHFFFAOYSA-N 2 0 284.407 1.624 10 0 CDAERP CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccnn2C)CC1 ZINC000233981248 342042149 /nfs/dbraw/zinc/04/21/49/342042149.db2.gz HUUKCTPULCFXTE-LBPRGKRZSA-N 2 0 250.390 1.803 10 0 CDAERP C[C@@H]1CC[C@@]2(CC[N@H+](C[C@@H](O)CN(C)C3CC3)C2)C1 ZINC000351616870 361805478 /nfs/dbraw/zinc/80/54/78/361805478.db2.gz ARDBXVVWRFYNPZ-VNQPRFMTSA-N 2 0 266.429 1.954 10 0 CDAERP COC(=O)C(C)(C)[C@H]1CCC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000592429271 342694926 /nfs/dbraw/zinc/69/49/26/342694926.db2.gz DFWWBVLOLJCXFS-XJKSGUPXSA-N 2 0 282.428 1.897 10 0 CDAERP CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000262644327 361855058 /nfs/dbraw/zinc/85/50/58/361855058.db2.gz JUAMTGZHIOXXCR-RWMBFGLXSA-N 2 0 255.406 1.160 10 0 CDAERP COC(C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1)OC ZINC000136771040 361863845 /nfs/dbraw/zinc/86/38/45/361863845.db2.gz BRVZWAHPKLLFMS-CYBMUJFWSA-N 2 0 279.384 1.743 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)CCc1n[nH]c2ccccc21 ZINC000629404436 361934352 /nfs/dbraw/zinc/93/43/52/361934352.db2.gz MUTZDZNDLGVJPI-CYBMUJFWSA-N 2 0 290.411 1.710 10 0 CDAERP CC(C)n1ccc(C[C@@H](C)[NH2+]CCOCCC[NH3+])n1 ZINC000629400405 361938080 /nfs/dbraw/zinc/93/80/80/361938080.db2.gz WHXNNUOMIMNIPL-CYBMUJFWSA-N 2 0 268.405 1.350 10 0 CDAERP C[C@H]1C[C@H](N[C@@H]2CC[NH2+][C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000629408100 361949318 /nfs/dbraw/zinc/94/93/18/361949318.db2.gz QIVROGNSEIYAEN-NXNVCVFFSA-N 2 0 273.424 1.989 10 0 CDAERP C[C@H]1C[C@@H](N[C@@H]2CC[NH2+][C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000629408104 361949770 /nfs/dbraw/zinc/94/97/70/361949770.db2.gz QIVROGNSEIYAEN-XJNFMUPTSA-N 2 0 273.424 1.989 10 0 CDAERP CCc1nn(C)cc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000125515382 187189066 /nfs/dbraw/zinc/18/90/66/187189066.db2.gz UGNDLQUJGYYJHN-CWRNSKLLSA-N 2 0 276.428 1.993 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000127373527 342229712 /nfs/dbraw/zinc/22/97/12/342229712.db2.gz OEYLLRLELDQJBL-HNNXBMFYSA-N 2 0 277.412 1.746 10 0 CDAERP COC(=O)[C@@H](C[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000211976848 539162022 /nfs/dbraw/zinc/16/20/22/539162022.db2.gz CPLMYTZDJFGYDP-KBPBESRZSA-N 2 0 262.353 1.256 10 0 CDAERP COC(=O)CCCC[N@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000599318167 344017120 /nfs/dbraw/zinc/01/71/20/344017120.db2.gz VMAFGZXKGMSGNJ-QWHCGFSZSA-N 2 0 256.390 1.744 10 0 CDAERP FCCC[NH+]1CCN(CC[NH+]2CCCCC2)CC1 ZINC000626070613 342298256 /nfs/dbraw/zinc/29/82/56/342298256.db2.gz WAJATFILYAXINN-UHFFFAOYSA-N 2 0 257.397 1.450 10 0 CDAERP C[NH+]1CCC(CCNC(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000157221299 362031709 /nfs/dbraw/zinc/03/17/09/362031709.db2.gz ODCGORDWONVKFP-KBPBESRZSA-N 2 0 267.417 1.352 10 0 CDAERP CCSCC[C@H](C)[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000595884951 343180072 /nfs/dbraw/zinc/18/00/72/343180072.db2.gz JQQSSMLZHOEHMH-STQMWFEESA-N 2 0 272.458 1.971 10 0 CDAERP [NH3+]CCCCC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000645104212 362117863 /nfs/dbraw/zinc/11/78/63/362117863.db2.gz ISIYKNWFCIFVAB-QWHCGFSZSA-N 2 0 253.390 1.106 10 0 CDAERP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645104713 362118538 /nfs/dbraw/zinc/11/85/38/362118538.db2.gz QXRKYEBFPNBTQZ-IVSAIRAKSA-N 2 0 293.455 1.885 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+]CC2([NH3+])CCOCC2)C12CCCC2 ZINC000629522951 362143219 /nfs/dbraw/zinc/14/32/19/362143219.db2.gz CPWCZAZMNXBNPF-UONOGXRCSA-N 2 0 282.428 1.822 10 0 CDAERP CC(C)CO[C@H]1C[C@H]([NH2+]CC2([NH3+])CCOCC2)C1(C)C ZINC000629524111 362145528 /nfs/dbraw/zinc/14/55/28/362145528.db2.gz LPQJILBEVQMQAB-KBPBESRZSA-N 2 0 284.444 1.924 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H](C)c1ccncc1 ZINC000629532250 362164070 /nfs/dbraw/zinc/16/40/70/362164070.db2.gz SJOSDMLACLCHBR-JSGCOSHPSA-N 2 0 251.374 1.529 10 0 CDAERP C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)OC1CCOCC1 ZINC000629532383 362164255 /nfs/dbraw/zinc/16/42/55/362164255.db2.gz XOWGUFCZYPDIQF-CVEARBPZSA-N 2 0 296.455 1.894 10 0 CDAERP CCOC(=O)C1([C@H](C)[NH2+][C@@H](CO)C2CCC2)CC[NH2+]CC1 ZINC000596652985 343371614 /nfs/dbraw/zinc/37/16/14/343371614.db2.gz XVASMHZGJKABND-JSGCOSHPSA-N 2 0 298.427 1.058 10 0 CDAERP COC(=O)C1(c2ccccc2)CC[NH+]([C@H](C)CC[NH3+])CC1 ZINC000034442022 342446078 /nfs/dbraw/zinc/44/60/78/342446078.db2.gz RWVDSTCOFZCGFO-CQSZACIVSA-N 2 0 290.407 1.931 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCc2cnn(C)c2)[C@H](C)C1 ZINC000081095961 346963635 /nfs/dbraw/zinc/96/36/35/346963635.db2.gz DKJARONZCKIAOL-HIFRSBDPSA-N 2 0 264.417 1.625 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)C1 ZINC000417241501 534954703 /nfs/dbraw/zinc/95/47/03/534954703.db2.gz RQNYQTHCUSYYRW-BFHYXJOUSA-N 2 0 282.432 1.016 10 0 CDAERP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000263259928 362404175 /nfs/dbraw/zinc/40/41/75/362404175.db2.gz MBKLQLHMJCIANT-MCIONIFRSA-N 2 0 281.444 1.741 10 0 CDAERP C[NH+](C)C[C@H]1CCN(c2nc(N)[nH+]c3c2CCCC3)C1 ZINC000645209819 362407237 /nfs/dbraw/zinc/40/72/37/362407237.db2.gz VXBUXSGLMCMEGJ-LLVKDONJSA-N 2 0 275.400 1.156 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)Cc2cn3ccccc3n2)C1 ZINC000617414615 345513795 /nfs/dbraw/zinc/51/37/95/345513795.db2.gz MQJGAYATSGKRTL-LBPRGKRZSA-N 2 0 272.352 1.087 10 0 CDAERP C[C@@H](CC[NH+](C)C)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000073905414 345583945 /nfs/dbraw/zinc/58/39/45/345583945.db2.gz QNFKLIWVIZZRFO-AVOUXACISA-N 2 0 296.459 1.641 10 0 CDAERP CCN(C(=O)[C@@H]1CCn2c(C)ncc2C1)[C@@H]1CC[N@H+](C)C1 ZINC000617550511 345841703 /nfs/dbraw/zinc/84/17/03/345841703.db2.gz VVXZYIBBOFZPJC-ZIAGYGMSSA-N 2 0 290.411 1.307 10 0 CDAERP C[C@@](O)(C[NH3+])CCN1CCC([NH+]2CCCCC2)CC1 ZINC000085300545 179010100 /nfs/dbraw/zinc/01/01/00/179010100.db2.gz ABQNQULECANXRR-HNNXBMFYSA-N 2 0 269.433 1.037 10 0 CDAERP [NH3+]C[C@](O)(C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21)C1CC1 ZINC000085300396 179010525 /nfs/dbraw/zinc/01/05/25/179010525.db2.gz FXFTZOVPKMYSMW-QEJZJMRPSA-N 2 0 252.402 1.741 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(CCCC[C@@](C)(O)C[NH3+])CC1 ZINC000085302177 179010884 /nfs/dbraw/zinc/01/08/84/179010884.db2.gz CTUSMANKPGKQNN-HUUCEWRRSA-N 2 0 271.449 1.283 10 0 CDAERP C[C@H](C[C@@](C)(O)C[NH3+])[N@H+](C)CCc1ccccn1 ZINC000085304015 179011516 /nfs/dbraw/zinc/01/15/16/179011516.db2.gz UVTSQADDQAYYTF-TZMCWYRMSA-N 2 0 251.374 1.044 10 0 CDAERP C[C@@H](C[C@@](C)(O)C[NH3+])N1CC[NH+](C2CCCC2)CC1 ZINC000085302335 179011538 /nfs/dbraw/zinc/01/15/38/179011538.db2.gz LQFNEHOJCMLHBU-DZGCQCFKSA-N 2 0 269.433 1.035 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)C1 ZINC000571534008 362674127 /nfs/dbraw/zinc/67/41/27/362674127.db2.gz DNFPIFCXNINRGC-FRRDWIJNSA-N 2 0 265.401 1.070 10 0 CDAERP CCN(CCC[NH+](CC)CC)C(=O)C[C@H]([NH3+])C(C)C ZINC000230712340 482558449 /nfs/dbraw/zinc/55/84/49/482558449.db2.gz JGNZSKUHHHCAKN-AWEZNQCLSA-N 2 0 271.449 1.940 10 0 CDAERP COCC[C@@](C)(O)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623421688 346420108 /nfs/dbraw/zinc/42/01/08/346420108.db2.gz VYSJGMHKAABQOS-TZMCWYRMSA-N 2 0 258.406 1.236 10 0 CDAERP C[C@@H]([NH3+])C1CCN(C(=O)c2ccccc2CC[NH3+])CC1 ZINC000584789413 346435388 /nfs/dbraw/zinc/43/53/88/346435388.db2.gz XOPKIZCXZWFZIW-GFCCVEGCSA-N 2 0 275.396 1.387 10 0 CDAERP Cc1nc2c(n1CC[NH+](C(C)C)C(C)C)CC[NH2+]C2 ZINC000085568361 179095064 /nfs/dbraw/zinc/09/50/64/179095064.db2.gz SBOUZJFYTIKJLZ-UHFFFAOYSA-N 2 0 264.417 1.956 10 0 CDAERP [NH3+]CCN1C[C@H]2CCCN2C2=C(Br)C=CC[C@@H]21 ZINC000584647656 346506063 /nfs/dbraw/zinc/50/60/63/346506063.db2.gz INNLAPZXIIOGNZ-PWSUYJOCSA-N 2 0 298.228 1.660 10 0 CDAERP CC(C)C[C@@H]1C[N@H+](CCCn2ccnc2)CCC[NH2+]1 ZINC000085611061 179102514 /nfs/dbraw/zinc/10/25/14/179102514.db2.gz FLVVEZUGOYLCKU-OAHLLOKOSA-N 2 0 264.417 1.983 10 0 CDAERP CC1(C)[C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)[C@H]2CCO[C@@H]21 ZINC000085635215 179109289 /nfs/dbraw/zinc/10/92/89/179109289.db2.gz MNLBCRMPOXCBJX-MYPMTAMASA-N 2 0 264.413 1.874 10 0 CDAERP C[N@H+](CCNC(=O)CC[C@H]1CCCC[NH+]1C)C1CC1 ZINC000352059485 362816898 /nfs/dbraw/zinc/81/68/98/362816898.db2.gz IDSBOKHISZHPPH-CYBMUJFWSA-N 2 0 267.417 1.461 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2CC23CC[NH2+]CC3)CC[N@@H+]1C ZINC000612973835 347350531 /nfs/dbraw/zinc/35/05/31/347350531.db2.gz MSRUUSZFJQQFQT-HZSPNIEDSA-N 2 0 294.443 1.253 10 0 CDAERP C[C@H]1C[NH2+][C@@H](Cc2ccccc2)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086171866 179242893 /nfs/dbraw/zinc/24/28/93/179242893.db2.gz VBUAKXIFDUKDKP-JQHSSLGASA-N 2 0 287.451 1.843 10 0 CDAERP C[N@@H+]1CC[C@H](CN2CC[NH2+]C[C@@H]2c2ccccc2)C1 ZINC000086177265 179246730 /nfs/dbraw/zinc/24/67/30/179246730.db2.gz BZWOKLFFNSWLQN-GOEBONIOSA-N 2 0 259.397 1.585 10 0 CDAERP CC(C)[C@H]1C[NH2+]C(C)(C)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086259616 179258209 /nfs/dbraw/zinc/25/82/09/179258209.db2.gz QQOJFXFDUJNQMX-HUUCEWRRSA-N 2 0 265.445 1.932 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CCN2CCCC2=O)CC1(C)C ZINC000623559472 347632080 /nfs/dbraw/zinc/63/20/80/347632080.db2.gz CAOXQBUDYHFTAY-GFCCVEGCSA-N 2 0 253.390 1.071 10 0 CDAERP CC(=O)N1CC[C@@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623575532 347640692 /nfs/dbraw/zinc/64/06/92/347640692.db2.gz FGAFBKXWIQIWGN-QWHCGFSZSA-N 2 0 253.390 1.070 10 0 CDAERP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000614068313 347993545 /nfs/dbraw/zinc/99/35/45/347993545.db2.gz ZEQURRUORLAIDI-BBRMVZONSA-N 2 0 299.459 1.068 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000614964148 348287812 /nfs/dbraw/zinc/28/78/12/348287812.db2.gz MDALIWWVKBXENN-UHFFFAOYSA-N 2 0 267.417 1.273 10 0 CDAERP OCC1([NH2+]CCC[NH+]2CCCCC2)Cc2ccccc2C1 ZINC000364605326 358454626 /nfs/dbraw/zinc/45/46/26/358454626.db2.gz GEQLOIMTMUHMEC-UHFFFAOYSA-N 2 0 288.435 1.982 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000572731217 362928115 /nfs/dbraw/zinc/92/81/15/362928115.db2.gz IFPWWDTYJGTHCO-UHFFFAOYSA-N 2 0 253.390 1.057 10 0 CDAERP FC1(F)Oc2ccc(CCN3C[C@H]4C[NH2+]C[C@H]4C3)cc2O1 ZINC000659848546 412551926 /nfs/dbraw/zinc/55/19/26/412551926.db2.gz AQVHEUSBDCXGIC-TXEJJXNPSA-N 2 0 296.317 1.702 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000620550604 350251301 /nfs/dbraw/zinc/25/13/01/350251301.db2.gz OMUSIBGXAYADEI-QWHCGFSZSA-N 2 0 270.421 1.110 10 0 CDAERP CC[NH+](CC)CCNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106423793 186116492 /nfs/dbraw/zinc/11/64/92/186116492.db2.gz IQJVVUYMQGWKIF-INIZCTEOSA-N 2 0 291.439 1.617 10 0 CDAERP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000333243593 362964258 /nfs/dbraw/zinc/96/42/58/362964258.db2.gz FHZFPZFNRYCDEU-OLZOCXBDSA-N 2 0 280.416 1.041 10 0 CDAERP CCn1nccc1CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000621774457 350770868 /nfs/dbraw/zinc/77/08/68/350770868.db2.gz VAFQVPKYHWRNRC-CHWSQXEVSA-N 2 0 250.390 1.505 10 0 CDAERP CN1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000629550616 362985285 /nfs/dbraw/zinc/98/52/85/362985285.db2.gz OBFDGHNPXAQDHR-ZQDZILKHSA-N 2 0 251.418 1.591 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCCC[NH2+]C2)C[N@@H+]1C1CC1 ZINC000333418711 362990214 /nfs/dbraw/zinc/99/02/14/362990214.db2.gz SFCYXQBHVCMMNL-JHJVBQTASA-N 2 0 280.416 1.053 10 0 CDAERP CC1(C)CC(NC(=O)CCCC[NH3+])CC(C)(C)[NH2+]1 ZINC000070203187 363060628 /nfs/dbraw/zinc/06/06/28/363060628.db2.gz MMENANLXAXOFGQ-UHFFFAOYSA-N 2 0 255.406 1.541 10 0 CDAERP C[NH+]1CCN(C[C@H](O)C[NH2+]CC[C@@H]2CCCC2(C)C)CC1 ZINC000629604812 363167016 /nfs/dbraw/zinc/16/70/16/363167016.db2.gz YYLJYBSXQBFELP-JKSUJKDBSA-N 2 0 297.487 1.401 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333932435 363233560 /nfs/dbraw/zinc/23/35/60/363233560.db2.gz GUVDFDGTUOZKBZ-ZIAGYGMSSA-N 2 0 282.432 1.302 10 0 CDAERP [NH3+]C[C@@H]1CN(CC2(C[NH3+])CC2)CC[C@H]1C(F)(F)F ZINC000629652831 363251525 /nfs/dbraw/zinc/25/15/25/363251525.db2.gz BKTDKYNAHFLJSB-NXEZZACHSA-N 2 0 265.323 1.184 10 0 CDAERP C1=C(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)COCC1 ZINC000629651439 363256492 /nfs/dbraw/zinc/25/64/92/363256492.db2.gz GJDZQFCACZRHTD-HUUCEWRRSA-N 2 0 250.386 1.797 10 0 CDAERP COc1cccc(C[NH2+]CCOCCC[NH3+])c1F ZINC000629677730 363327323 /nfs/dbraw/zinc/32/73/23/363327323.db2.gz FNWQLLUUAARDSJ-UHFFFAOYSA-N 2 0 256.321 1.289 10 0 CDAERP CC[NH+]1CCC(C[NH2+][C@@H]2CCC(=O)NC2(C)C)CC1 ZINC000644538209 366156568 /nfs/dbraw/zinc/15/65/68/366156568.db2.gz XMISCASAXVQVQE-CYBMUJFWSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)n1ncnc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000631157448 363401746 /nfs/dbraw/zinc/40/17/46/363401746.db2.gz AZIPBICCUIEGTQ-CYBMUJFWSA-N 2 0 265.405 1.681 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000232966402 140226173 /nfs/dbraw/zinc/22/61/73/140226173.db2.gz YACAGUVDDNGESM-KBPBESRZSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C)CCF ZINC001660321510 1172195360 /nfs/dbraw/zinc/19/53/60/1172195360.db2.gz ILORJTVROMMLJF-CQSZACIVSA-N 2 0 287.423 1.657 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3n[nH]cc3C2)[C@H]2CCC[C@@H]21 ZINC000353629345 283141673 /nfs/dbraw/zinc/14/16/73/283141673.db2.gz FFPVOLHIZUBIHU-VDERGJSUSA-N 2 0 274.412 1.729 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@]3(CCOC3)C2)[C@H]2CCC[C@H]21 ZINC000353615594 283141791 /nfs/dbraw/zinc/14/17/91/283141791.db2.gz WZPKJBQYFINDTR-NQNKBUKLSA-N 2 0 294.439 1.787 10 0 CDAERP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)c1 ZINC000037042962 356319748 /nfs/dbraw/zinc/31/97/48/356319748.db2.gz SXBICUQAEUGJKO-CABCVRRESA-N 2 0 291.395 1.190 10 0 CDAERP CCC[NH+]1CCC(C[NH3+])(C(=O)OC(C)(C)C)CC1 ZINC000725244997 538446218 /nfs/dbraw/zinc/44/62/18/538446218.db2.gz PGNWNZJFPBVTGY-UHFFFAOYSA-N 2 0 256.390 1.779 10 0 CDAERP C[C@@H](C[NH3+])C[NH2+]CCCCCCC[NH2+]C[C@@H](C)C[NH3+] ZINC000013650037 356687538 /nfs/dbraw/zinc/68/75/38/356687538.db2.gz MWLSYIYLGQBHFG-GJZGRUSLSA-N 4 0 272.481 1.306 10 0 CDAERP C[C@@H](C[NH2+][C@H]1CCCC12CC2)CN1CC[NH+](C)CC1 ZINC000580330780 357524615 /nfs/dbraw/zinc/52/46/15/357524615.db2.gz UUNNUELOHSBHMP-GJZGRUSLSA-N 2 0 265.445 1.792 10 0 CDAERP CCNC(=O)C1(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CCC1 ZINC000367639683 357621025 /nfs/dbraw/zinc/62/10/25/357621025.db2.gz WOVAOUHFFRACMW-ZNMIVQPWSA-N 2 0 293.455 1.755 10 0 CDAERP [NH3+][C@H]1CC[C@@H](C(=O)N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000091544179 357716991 /nfs/dbraw/zinc/71/69/91/357716991.db2.gz UAWWRVBIIPHCFX-KGLIPLIRSA-N 2 0 279.428 1.591 10 0 CDAERP CC1CC[NH+](CC(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000336457801 363589116 /nfs/dbraw/zinc/58/91/16/363589116.db2.gz NHGLRSKWDFCBQU-OAHLLOKOSA-N 2 0 279.428 1.271 10 0 CDAERP CC[C@@H]1CC[N@@H+]1C[C@H](O)CN(C)Cc1ccccc1 ZINC000644786799 358065333 /nfs/dbraw/zinc/06/53/33/358065333.db2.gz LJRAPWQJJVQCDB-HZPDHXFCSA-N 2 0 262.397 1.964 10 0 CDAERP CC(C)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1O ZINC000095088491 358677788 /nfs/dbraw/zinc/67/77/88/358677788.db2.gz QSGVTRQUQUQDSQ-CVEARBPZSA-N 2 0 262.397 1.867 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)C[C@H]1CCC[NH2+]C1)c1cccs1 ZINC000054308715 358712244 /nfs/dbraw/zinc/71/22/44/358712244.db2.gz JQBPXFYKAFBGRM-CHWSQXEVSA-N 2 0 295.452 1.857 10 0 CDAERP CC[C@@H]([NH3+])C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000567841610 358909435 /nfs/dbraw/zinc/90/94/35/358909435.db2.gz JVLDUPSLRQAQGB-MCIONIFRSA-N 2 0 279.359 1.206 10 0 CDAERP COCC[C@H](COC)[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000311804771 358969626 /nfs/dbraw/zinc/96/96/26/358969626.db2.gz KYDMFYQTNMJTEZ-RRFJBIMHSA-N 2 0 272.433 1.938 10 0 CDAERP CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1CC1CC[NH2+]CC1 ZINC000261975129 359111873 /nfs/dbraw/zinc/11/18/73/359111873.db2.gz QRIOCXDPBABLGW-KBPBESRZSA-N 2 0 284.400 1.029 10 0 CDAERP C[C@@]1(CN2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC[NH2+]C1 ZINC000261997205 359119607 /nfs/dbraw/zinc/11/96/07/359119607.db2.gz KXXXYCPBFKJGCH-ARFHVFGLSA-N 2 0 259.397 1.413 10 0 CDAERP CC[C@H]1CN(C[C@]2(C)CC[NH2+]C2)CC[N@@H+]1CCOC ZINC000262012269 359123137 /nfs/dbraw/zinc/12/31/37/359123137.db2.gz MHZWCTBLGRCSIR-LSDHHAIUSA-N 2 0 269.433 1.029 10 0 CDAERP CO[C@]1(C)C[C@H](N(C)Cc2noc(CN)n2)C1(C)C ZINC000262151926 359139653 /nfs/dbraw/zinc/13/96/53/359139653.db2.gz GBZJTVNXFDQLTJ-TVQRCGJNSA-N 2 0 268.361 1.164 10 0 CDAERP [NH3+][C@H]1CC[C@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000262306168 359153177 /nfs/dbraw/zinc/15/31/77/359153177.db2.gz YHOIAALJRNFBEC-ZQDZILKHSA-N 2 0 273.380 1.067 10 0 CDAERP C[C@@H]([NH2+]CCCC[NH+](C)C)c1cccc(S(N)(=O)=O)c1 ZINC000045663935 359160228 /nfs/dbraw/zinc/16/02/28/359160228.db2.gz JOXWNOGLQSQEJF-GFCCVEGCSA-N 2 0 299.440 1.326 10 0 CDAERP COC[C@@]1(c2nc(-c3ccc(C[NH3+])cc3)no2)CC[NH2+]C1 ZINC000572362593 359161314 /nfs/dbraw/zinc/16/13/14/359161314.db2.gz SNRUDZDJYLTDLJ-OAHLLOKOSA-N 2 0 288.351 1.073 10 0 CDAERP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@H]1C[C@H]1C ZINC000414112777 299296960 /nfs/dbraw/zinc/29/69/60/299296960.db2.gz NFJKQTVKTJHRCZ-IPYPFGDCSA-N 2 0 253.434 1.647 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000423028551 359746209 /nfs/dbraw/zinc/74/62/09/359746209.db2.gz GRIVDBAURZSOKD-LSDHHAIUSA-N 3 0 271.449 1.594 10 0 CDAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1 ZINC000423458459 359797872 /nfs/dbraw/zinc/79/78/72/359797872.db2.gz GXWUGEBAEPUTMM-CYDGBPFRSA-N 2 0 250.390 1.772 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCCc2nc(C)no2)[C@H](C)C1 ZINC000336821705 359879255 /nfs/dbraw/zinc/87/92/55/359879255.db2.gz IXYUODMIDXMUAO-TZMCWYRMSA-N 2 0 280.416 1.973 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCCc2nc(C)no2)[C@H](C)C1 ZINC000336821704 359880089 /nfs/dbraw/zinc/88/00/89/359880089.db2.gz IXYUODMIDXMUAO-OCCSQVGLSA-N 2 0 280.416 1.973 10 0 CDAERP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@@H](O)C[NH+]3CCCC3)C[C@H]2C1 ZINC000424269320 359985769 /nfs/dbraw/zinc/98/57/69/359985769.db2.gz PDYOCERXZPTZLK-JKJDWNRSSA-N 2 0 282.428 1.236 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N2CCc3ccccc3[C@H]2C[NH3+])cc1 ZINC000335429824 360168843 /nfs/dbraw/zinc/16/88/43/360168843.db2.gz PDPXCWAGDYNECV-QGZVFWFLSA-N 2 0 295.386 1.844 10 0 CDAERP CN(C)C(=O)C1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000089424188 360176044 /nfs/dbraw/zinc/17/60/44/360176044.db2.gz GSRHLGPNAIOHDJ-AWEZNQCLSA-N 2 0 267.417 1.271 10 0 CDAERP Cc1nc(C)c(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)o1 ZINC000628201763 360239980 /nfs/dbraw/zinc/23/99/80/360239980.db2.gz SYECTUMFSIORKM-UHFFFAOYSA-N 2 0 280.416 1.407 10 0 CDAERP C[NH+](C)CCn1cccc1[C@@H]([NH3+])c1ccc(O)cc1 ZINC000011848781 360348142 /nfs/dbraw/zinc/34/81/42/360348142.db2.gz VVBJRQFIFLDKJM-HNNXBMFYSA-N 2 0 259.353 1.803 10 0 CDAERP O[C@H](C[NH2+][C@@H]1CC[C@H]1C1CCC1)C[NH+]1CCCC1 ZINC000337984843 360602287 /nfs/dbraw/zinc/60/22/87/360602287.db2.gz BKDDMPDNCJXIIE-QLFBSQMISA-N 2 0 252.402 1.611 10 0 CDAERP CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000626929547 360647077 /nfs/dbraw/zinc/64/70/77/360647077.db2.gz YABLTBOIHCEGLU-HIFRSBDPSA-N 2 0 296.459 1.547 10 0 CDAERP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CC[NH2+][C@H]1C)CC(C)C ZINC000626929431 360647402 /nfs/dbraw/zinc/64/74/02/360647402.db2.gz MSJHDSVYHMTZCU-SOUVJXGZSA-N 2 0 298.475 1.793 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000626937014 360656216 /nfs/dbraw/zinc/65/62/16/360656216.db2.gz NITKUPUSOVJZCL-QLFBSQMISA-N 2 0 296.459 1.548 10 0 CDAERP C[N@H+](CC1CC[NH2+]CC1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000178972371 189158302 /nfs/dbraw/zinc/15/83/02/189158302.db2.gz VQXULEJURBOYFU-MRXNPFEDSA-N 2 0 287.407 1.723 10 0 CDAERP C[NH+](C)C[C@H](NC(=O)CCCC[NH3+])c1ccccc1 ZINC000070203169 482853735 /nfs/dbraw/zinc/85/37/35/482853735.db2.gz MPHCHDZRWCGALU-AWEZNQCLSA-N 2 0 263.385 1.535 10 0 CDAERP CCOCCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001660855179 1172290537 /nfs/dbraw/zinc/29/05/37/1172290537.db2.gz ADGRRQVBLSDBKJ-OAHLLOKOSA-N 2 0 297.443 1.089 10 0 CDAERP CO[C@@]1(C[NH2+]C[C@@H]2CCN2C(C)(C)C)CCOC1 ZINC000639302452 361023702 /nfs/dbraw/zinc/02/37/02/361023702.db2.gz FRRQRFZQZRMNMI-GXTWGEPZSA-N 2 0 256.390 1.254 10 0 CDAERP Cc1cc(C)c(NC(=O)NC[C@@H]2CN(C)CCO2)c(C)n1 ZINC000408463209 361161734 /nfs/dbraw/zinc/16/17/34/361161734.db2.gz FQDMTKSIOBWUHQ-CYBMUJFWSA-N 2 0 292.383 1.459 10 0 CDAERP C[C@H](CC(N)=O)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000351499509 361717913 /nfs/dbraw/zinc/71/79/13/361717913.db2.gz CKIVBOWSZHBXTN-CYBMUJFWSA-N 2 0 275.396 1.636 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000357239436 366853907 /nfs/dbraw/zinc/85/39/07/366853907.db2.gz JSCMIBMTNUIHRV-KGLIPLIRSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)[C@H](C)[NH3+] ZINC000418696283 296074623 /nfs/dbraw/zinc/07/46/23/296074623.db2.gz KPPAPOASQXCBJD-WDEREUQCSA-N 2 0 258.410 1.142 10 0 CDAERP [NH3+]CCC[C@@H]([NH3+])c1ccc(O)c(Br)c1 ZINC000575439963 364995361 /nfs/dbraw/zinc/99/53/61/364995361.db2.gz PKBBMDRVNIJBHO-SECBINFHSA-N 2 0 259.147 1.893 10 0 CDAERP COC[C@H](C)C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000188114709 365068772 /nfs/dbraw/zinc/06/87/72/365068772.db2.gz QZWRXNKKKCWFBX-KBMXLJTQSA-N 2 0 284.444 1.626 10 0 CDAERP CSC[C@H](CCO)[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353520504 365274061 /nfs/dbraw/zinc/27/40/61/365274061.db2.gz PEKOMAKYMDPEJK-DGAVXFQQSA-N 2 0 272.458 1.563 10 0 CDAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)Cc2ccc(OC)nc2)C1 ZINC000414065135 241051309 /nfs/dbraw/zinc/05/13/09/241051309.db2.gz GOGIZYIQHDTXPE-HIFRSBDPSA-N 2 0 277.412 1.953 10 0 CDAERP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)[C@H]1C[C@H]1C ZINC000414063233 241052837 /nfs/dbraw/zinc/05/28/37/241052837.db2.gz DKVQTYZHEKECQO-YCPHGPKFSA-N 2 0 288.439 1.968 10 0 CDAERP CCC[NH+]1CCC(C[NH2+]Cc2ccc(C)nn2)CC1 ZINC000414333205 241157488 /nfs/dbraw/zinc/15/74/88/241157488.db2.gz SRTWUSSGNGYGSU-UHFFFAOYSA-N 2 0 262.401 1.997 10 0 CDAERP C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414680393 241317949 /nfs/dbraw/zinc/31/79/49/241317949.db2.gz NCNAHUGBETVDEM-AWEZNQCLSA-N 2 0 293.386 1.455 10 0 CDAERP C[C@@H]1CN(C(=O)Cn2cnc3c2CCCC3)C[C@H](C)[N@H+]1C ZINC000516675087 367178062 /nfs/dbraw/zinc/17/80/62/367178062.db2.gz BTKGRTGDJYNRPF-BETUJISGSA-N 2 0 290.411 1.313 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC[N@@H+]1C ZINC000626987189 367151572 /nfs/dbraw/zinc/15/15/72/367151572.db2.gz ZWPWWYUTDQBFDH-CLWVCHIJSA-N 2 0 294.443 1.110 10 0 CDAERP Cc1cc(C)n2c(C[NH2+][C@@H](C)CCCC[NH3+])cnc2n1 ZINC000415011767 241516270 /nfs/dbraw/zinc/51/62/70/241516270.db2.gz IGIAFEBHSTWUGR-NSHDSACASA-N 2 0 275.400 1.953 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000357766725 367193027 /nfs/dbraw/zinc/19/30/27/367193027.db2.gz VASJADKBWILRRZ-VXGBXAGGSA-N 2 0 293.415 1.297 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627038637 367280890 /nfs/dbraw/zinc/28/08/90/367280890.db2.gz PMMQMIUMBNPDTR-IHRRRGAJSA-N 2 0 284.448 1.547 10 0 CDAERP CC(=O)Nc1cccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000630074763 367288496 /nfs/dbraw/zinc/28/84/96/367288496.db2.gz ALPOQRLCOXGPJK-BXUZGUMPSA-N 2 0 261.369 1.672 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000627158411 367586385 /nfs/dbraw/zinc/58/63/85/367586385.db2.gz UGTKQFXKWKPGLT-ZQDZILKHSA-N 2 0 294.443 1.158 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000627169071 367603831 /nfs/dbraw/zinc/60/38/31/367603831.db2.gz NLUUJKQRYOGJPC-SOUVJXGZSA-N 2 0 294.443 1.397 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000417011702 242267571 /nfs/dbraw/zinc/26/75/71/242267571.db2.gz SSGKJICLDJLANA-TZMCWYRMSA-N 2 0 284.448 1.533 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000417025599 242278839 /nfs/dbraw/zinc/27/88/39/242278839.db2.gz XVDUEDQNDMXXOH-STQMWFEESA-N 2 0 284.448 1.676 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000417028871 242279226 /nfs/dbraw/zinc/27/92/26/242279226.db2.gz CAGXZZXDXIBGCJ-BARDWOONSA-N 2 0 298.475 1.779 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C[NH2+]1 ZINC000627205730 367702600 /nfs/dbraw/zinc/70/26/00/367702600.db2.gz CVKCXCBQVKLYSN-SNPRPXQTSA-N 2 0 294.443 1.301 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000627201052 367693296 /nfs/dbraw/zinc/69/32/96/367693296.db2.gz VZKRQPZOKNNRNZ-SOUVJXGZSA-N 2 0 296.459 1.500 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000627201184 367693597 /nfs/dbraw/zinc/69/35/97/367693597.db2.gz YCNHSXFRVUFNMG-MELADBBJSA-N 2 0 282.432 1.253 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH2+][C@H]2C)[C@H](C)C1 ZINC000627242731 367811437 /nfs/dbraw/zinc/81/14/37/367811437.db2.gz YIEXFEBWWRJGAR-RQJABVFESA-N 2 0 282.432 1.109 10 0 CDAERP O[C@@H](C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)CC1(O)CCC1 ZINC000528385859 367820505 /nfs/dbraw/zinc/82/05/05/367820505.db2.gz DSQRWQQBUJXRIL-JKSUJKDBSA-N 2 0 296.455 1.603 10 0 CDAERP [NH3+][C@H]1CC=C(C(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000638057293 367887709 /nfs/dbraw/zinc/88/77/09/367887709.db2.gz ACJHOHPCDYGXEQ-ZDUSSCGKSA-N 2 0 263.385 1.121 10 0 CDAERP Cc1cncn1CC(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000528803947 367993970 /nfs/dbraw/zinc/99/39/70/367993970.db2.gz XVKAYSAXHTWRSE-UHFFFAOYSA-N 2 0 273.340 1.321 10 0 CDAERP C[NH+](C)Cc1cccc(NC(=O)[C@]2(C)C[NH2+]CCO2)c1 ZINC000638066650 367976602 /nfs/dbraw/zinc/97/66/02/367976602.db2.gz JQPGGTCBFDZGOF-HNNXBMFYSA-N 2 0 277.368 1.065 10 0 CDAERP CC(C)CC[C@H]([NH3+])C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000638071142 368024344 /nfs/dbraw/zinc/02/43/44/368024344.db2.gz FSXLPKYWPATBFL-KGLIPLIRSA-N 2 0 271.449 1.842 10 0 CDAERP [NH3+][C@H]1CC=C(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000638071548 368030616 /nfs/dbraw/zinc/03/06/16/368030616.db2.gz KAUQVQUQSBMLLZ-DLBZAZTESA-N 2 0 299.418 1.815 10 0 CDAERP [NH3+][C@H]1CC=C(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000638071550 368031338 /nfs/dbraw/zinc/03/13/38/368031338.db2.gz KAUQVQUQSBMLLZ-IRXDYDNUSA-N 2 0 299.418 1.815 10 0 CDAERP CO[C@@H](C)[C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000538545949 368316303 /nfs/dbraw/zinc/31/63/03/368316303.db2.gz CKRTYUUVLNDJHS-RDBSUJKOSA-N 2 0 287.448 1.092 10 0 CDAERP CCCC[C@H](C[NH3+])NC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000418459605 243104561 /nfs/dbraw/zinc/10/45/61/243104561.db2.gz GSXCEMMRUTZQSO-RBSFLKMASA-N 2 0 298.475 1.876 10 0 CDAERP COC(=O)c1ccc(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)nc1 ZINC000286421232 368824437 /nfs/dbraw/zinc/82/44/37/368824437.db2.gz MKEKBSZSLUFLFJ-WFASDCNBSA-N 2 0 291.395 1.783 10 0 CDAERP C[C@@H]1COCCN1CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353493729 368831248 /nfs/dbraw/zinc/83/12/48/368831248.db2.gz VESGOULXLHKLGJ-QKPAOTATSA-N 2 0 281.444 1.170 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCSCCCO)[C@H]2CCC[C@H]21 ZINC000367593053 369195388 /nfs/dbraw/zinc/19/53/88/369195388.db2.gz GENHIGOBZCOXIQ-HZSPNIEDSA-N 2 0 272.458 1.564 10 0 CDAERP C[C@H]1CC[N@H+](CCOCCOc2ccccc2)C[C@H]1C[NH3+] ZINC000420407682 244207719 /nfs/dbraw/zinc/20/77/19/244207719.db2.gz ONCRLMNYCMLRFU-JKSUJKDBSA-N 2 0 292.423 1.999 10 0 CDAERP C[C@@H]1CCC[N@H+](CCNC(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000170829648 369499322 /nfs/dbraw/zinc/49/93/22/369499322.db2.gz BLMXKLCKOKDBIY-KGLIPLIRSA-N 2 0 282.432 1.064 10 0 CDAERP C[C@H]([NH2+][C@H](CO)C[C@H](O)C(C)(C)C)C1CC[NH+](C)CC1 ZINC000671302260 482968936 /nfs/dbraw/zinc/96/89/36/482968936.db2.gz MRTSLYRDBZBEIM-QEJZJMRPSA-N 2 0 286.460 1.464 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000414949572 370968166 /nfs/dbraw/zinc/96/81/66/370968166.db2.gz FANNFSMGAPZTCI-IUODEOHRSA-N 2 0 271.368 1.355 10 0 CDAERP C[C@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)C[NH+]1CCCCC1 ZINC000170832607 369678912 /nfs/dbraw/zinc/67/89/12/369678912.db2.gz LAXRRLHZAARJPT-HUUCEWRRSA-N 2 0 296.459 1.454 10 0 CDAERP CCn1nccc1CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000370185606 369977367 /nfs/dbraw/zinc/97/73/67/369977367.db2.gz RDQYIIPJLLSBGV-GOEBONIOSA-N 2 0 276.428 1.862 10 0 CDAERP CCCCOC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248648699 370106579 /nfs/dbraw/zinc/10/65/79/370106579.db2.gz JYWDPGXFBRABAF-XHSDSOJGSA-N 2 0 284.444 1.580 10 0 CDAERP c1ccc2c(NC[C@@H]3C[NH2+]CCCO3)cc[nH+]c2c1 ZINC000389778975 370155859 /nfs/dbraw/zinc/15/58/59/370155859.db2.gz DKTXUFHIHCZISC-LBPRGKRZSA-N 2 0 257.337 1.447 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H](C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C1 ZINC000250810380 370193970 /nfs/dbraw/zinc/19/39/70/370193970.db2.gz DDSZGSQPSYMIOR-MCIONIFRSA-N 2 0 265.401 1.201 10 0 CDAERP Cc1cc(C)c(CNC(=O)N[C@@H](C)[C@H](C)[NH3+])cn1 ZINC000418271208 370377079 /nfs/dbraw/zinc/37/70/79/370377079.db2.gz VLWLEAXGXNKLGH-QWRGUYRKSA-N 2 0 250.346 1.233 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)NCCC[NH2+]C)CC1 ZINC000418275434 370385319 /nfs/dbraw/zinc/38/53/19/370385319.db2.gz CTJGZWIYRSPLIS-UHFFFAOYSA-N 2 0 284.448 1.359 10 0 CDAERP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc2c(c1)nnn2C ZINC000414935148 370600498 /nfs/dbraw/zinc/60/04/98/370600498.db2.gz AODUTBLINULBKT-CMPLNLGQSA-N 2 0 259.357 1.056 10 0 CDAERP [NH3+]CC[C@H](NC(=O)NCC1([NH3+])CCCCCC1)C(F)F ZINC000418287167 370563862 /nfs/dbraw/zinc/56/38/62/370563862.db2.gz SPEVHQYUEUNLBB-JTQLQIEISA-N 2 0 292.374 1.320 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C)C[C@H]1C ZINC000414934558 370575857 /nfs/dbraw/zinc/57/58/57/370575857.db2.gz FERBCBITHWXTOM-UXXRCYHCSA-N 2 0 282.428 1.942 10 0 CDAERP C[N@H+](CCN[C@H](C1CC1)[C@@H]1C[NH2+]CCO1)C1CCCCC1 ZINC000422699497 245159012 /nfs/dbraw/zinc/15/90/12/245159012.db2.gz DJTQDIKJRFBSAG-DLBZAZTESA-N 2 0 295.471 1.608 10 0 CDAERP C[NH+](C)CCn1nccc1NC(=O)CC1CC[NH+](C)CC1 ZINC000294232206 371005615 /nfs/dbraw/zinc/00/56/15/371005615.db2.gz XAAOEPNNVLPQFN-UHFFFAOYSA-N 2 0 293.415 1.115 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C1CCN(c2ccccc2)CC1 ZINC000422740639 245199403 /nfs/dbraw/zinc/19/94/03/245199403.db2.gz NXJRLLMXRKZPPU-INIZCTEOSA-N 2 0 291.439 1.999 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCc2ccccc2C1 ZINC000422753523 245218251 /nfs/dbraw/zinc/21/82/51/245218251.db2.gz INLMZCFIFURDOX-IEAZIUSSSA-N 2 0 274.408 1.886 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000422760395 245221748 /nfs/dbraw/zinc/22/17/48/245221748.db2.gz MASIVRYHJRMZFO-QJPTWQEYSA-N 2 0 250.342 1.542 10 0 CDAERP COc1cccc(N2CCC[C@H]([NH2+][C@H](C)C3C[NH2+]C3)C2)c1 ZINC000422764803 245228288 /nfs/dbraw/zinc/22/82/88/245228288.db2.gz QJGRMKQHDZVEKG-HIFRSBDPSA-N 2 0 289.423 1.862 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC000569235299 371245003 /nfs/dbraw/zinc/24/50/03/371245003.db2.gz IANWKWXHBFZXSR-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)NC(=O)CC[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123206359 371330264 /nfs/dbraw/zinc/33/02/64/371330264.db2.gz XGCNHBSFWANIKD-UHFFFAOYSA-N 2 0 283.460 1.955 10 0 CDAERP CC1=CC[NH+](CCNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000578246258 372366814 /nfs/dbraw/zinc/36/68/14/372366814.db2.gz MAYNFBOQBQCQRZ-AWEZNQCLSA-N 2 0 265.401 1.096 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)NC[C@@H]1CCC[NH+]1C ZINC000175386035 372666574 /nfs/dbraw/zinc/66/65/74/372666574.db2.gz PVSFMVPRRVGEAS-ZDUSSCGKSA-N 2 0 270.421 1.112 10 0 CDAERP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000581080898 372822769 /nfs/dbraw/zinc/82/27/69/372822769.db2.gz ZDWYCZZPBAQAMJ-BRWVUGGUSA-N 2 0 292.423 1.666 10 0 CDAERP COC(=O)[C@@H]1CSCC[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000415145398 372862296 /nfs/dbraw/zinc/86/22/96/372862296.db2.gz XBGKOKGJCRIVRD-XQQFMLRXSA-N 2 0 286.441 1.213 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C[C@H]1C ZINC000581497952 373045601 /nfs/dbraw/zinc/04/56/01/373045601.db2.gz KSVBGFGCSOMLOE-KFWWJZLASA-N 2 0 281.444 1.659 10 0 CDAERP C[NH2+][C@H](C)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000382734944 373072435 /nfs/dbraw/zinc/07/24/35/373072435.db2.gz GIXGYCGHAVKUNF-LSDHHAIUSA-N 2 0 289.423 1.717 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000340995842 373150464 /nfs/dbraw/zinc/15/04/64/373150464.db2.gz WXSGDIWGAHSFAY-HOTGVXAUSA-N 2 0 293.455 1.948 10 0 CDAERP C[C@H]([NH2+]C1CCC(C(N)=O)CC1)[C@@H]1CCCC[NH2+]1 ZINC000386460489 373389998 /nfs/dbraw/zinc/38/99/98/373389998.db2.gz PDJZGHRNASNEPZ-WTIISPKJSA-N 2 0 253.390 1.151 10 0 CDAERP CCOCC[N@@H+]1CCN(c2cc[nH+]cc2C)C[C@@H]1C ZINC000192568380 373620536 /nfs/dbraw/zinc/62/05/36/373620536.db2.gz VUIOCWKMQMUUHE-AWEZNQCLSA-N 2 0 263.385 1.937 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H](C[NH2+]CCF)C1 ZINC001661794550 1172448638 /nfs/dbraw/zinc/44/86/38/1172448638.db2.gz ZILMJZLIDOJFLD-CABCVRRESA-N 2 0 299.434 1.659 10 0 CDAERP CO[C@@H](C[NH+]1CCC([NH2+]CCO)CC1)C1CCCCC1 ZINC000631863040 374084144 /nfs/dbraw/zinc/08/41/44/374084144.db2.gz WXFATCVIURSLIT-INIZCTEOSA-N 2 0 284.444 1.628 10 0 CDAERP CC(=O)Nc1cccc(C[NH2+]C[C@@H]2CCCN2C)c1 ZINC000631051878 374703077 /nfs/dbraw/zinc/70/30/77/374703077.db2.gz JMKFZMXKNHPPFK-HNNXBMFYSA-N 2 0 261.369 1.829 10 0 CDAERP CCC[C@@](C)([NH3+])C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000334334288 374934434 /nfs/dbraw/zinc/93/44/34/374934434.db2.gz XBGAHTRXHIEAOK-CYBMUJFWSA-N 2 0 253.390 1.106 10 0 CDAERP C[NH+](C)C1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000334411854 375312009 /nfs/dbraw/zinc/31/20/09/375312009.db2.gz UQUVBFDIMHYGJZ-UHFFFAOYSA-N 2 0 272.352 1.501 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000251584937 483056676 /nfs/dbraw/zinc/05/66/76/483056676.db2.gz CNMDQUCBQYRKBB-ILXRZTDVSA-N 2 0 281.444 1.693 10 0 CDAERP C[C@H]1C[C@H](N2C[C@H]3C[NH2+]C[C@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000307217567 375819675 /nfs/dbraw/zinc/81/96/75/375819675.db2.gz GAHXJZWXWRTPAA-OWLYRPNTSA-N 2 0 285.435 1.801 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)c2c[nH+]ccc2N)CC1 ZINC000638974648 376313430 /nfs/dbraw/zinc/31/34/30/376313430.db2.gz BIXNYJNPYKLVDU-UHFFFAOYSA-N 2 0 276.384 1.441 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000638975745 376321377 /nfs/dbraw/zinc/32/13/77/376321377.db2.gz OTWGSHWQGJHJKM-KBPBESRZSA-N 2 0 281.444 1.707 10 0 CDAERP COCCOCC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420409377 376348606 /nfs/dbraw/zinc/34/86/06/376348606.db2.gz XATHJFTXZKDMHW-UONOGXRCSA-N 2 0 256.390 1.113 10 0 CDAERP C[C@H]1CCN(Cc2nnc(C3CCC3)n2C)C[C@H]1C[NH3+] ZINC000420400849 376348992 /nfs/dbraw/zinc/34/89/92/376348992.db2.gz ITGLQAGONKABAZ-WCQYABFASA-N 2 0 277.416 1.499 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](CC)C[C@@H]2C)CC[N@@H+]1C ZINC000631470614 376285542 /nfs/dbraw/zinc/28/55/42/376285542.db2.gz ZVSRMMQTKOEDQA-JONQDZQNSA-N 2 0 295.471 1.905 10 0 CDAERP C[C@@H]1CCC[N@H+](C[C@@H]2CCc3ncnn32)[C@@H]1CC[NH3+] ZINC000631829376 376667966 /nfs/dbraw/zinc/66/79/66/376667966.db2.gz OYQURGWTRWYCTM-FRRDWIJNSA-N 2 0 263.389 1.215 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)C[C@H](C)[NH3+])[C@@H](C)C1 ZINC000574689829 295039127 /nfs/dbraw/zinc/03/91/27/295039127.db2.gz VQOSKEDKRWUMAT-FQUUOJAGSA-N 2 0 284.448 1.484 10 0 CDAERP C(c1nc(C2CCC2)no1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000631826886 376658973 /nfs/dbraw/zinc/65/89/73/376658973.db2.gz ZDUFDEWUZRXCDN-BETUJISGSA-N 2 0 276.384 1.769 10 0 CDAERP C[C@@H]1C[N@H+](Cc2ccc3oc(=O)n(C)c3c2)C[C@H]1C[NH3+] ZINC000631836614 376684919 /nfs/dbraw/zinc/68/49/19/376684919.db2.gz CMDAKMXGMAABLE-ZYHUDNBSSA-N 2 0 275.352 1.158 10 0 CDAERP NC(=O)CC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057889209 295039649 /nfs/dbraw/zinc/03/96/49/295039649.db2.gz HXFXOZOLQRNEFM-UHFFFAOYSA-N 2 0 267.417 1.450 10 0 CDAERP CC(C)[NH+](CCNC(=O)[C@@H]1CCC[C@H]1C[NH3+])C(C)C ZINC000089448680 483077074 /nfs/dbraw/zinc/07/70/74/483077074.db2.gz WTSJTWVCVHWQBY-UONOGXRCSA-N 2 0 269.433 1.596 10 0 CDAERP O=C(c1ccc2c(c1)C[NH2+]C2)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000572000142 377648574 /nfs/dbraw/zinc/64/85/74/377648574.db2.gz NNTQTJSUDKBWQI-GASCZTMLSA-N 2 0 285.391 1.361 10 0 CDAERP CC1(CNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)CC[NH2+]CC1 ZINC000334934755 377701984 /nfs/dbraw/zinc/70/19/84/377701984.db2.gz MWLQASUVNNFJJI-AWEZNQCLSA-N 2 0 292.427 1.032 10 0 CDAERP [NH3+][C@@H](CNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000572263171 377811028 /nfs/dbraw/zinc/81/10/28/377811028.db2.gz JHKMRFFMMBHSCY-ZNMIVQPWSA-N 2 0 288.395 1.222 10 0 CDAERP OCC[NH+]1CCC(C[NH2+]Cc2ccsc2)CC1 ZINC000069420756 378083135 /nfs/dbraw/zinc/08/31/35/378083135.db2.gz SPSDNTYTMFTXIC-UHFFFAOYSA-N 2 0 254.399 1.542 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000193296429 378286829 /nfs/dbraw/zinc/28/68/29/378286829.db2.gz MPXAKCFYJZOIIU-GFCCVEGCSA-N 2 0 267.417 1.637 10 0 CDAERP C[NH2+][C@@H]1CCCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000417779672 378722705 /nfs/dbraw/zinc/72/27/05/378722705.db2.gz BUFZGIUEISKZFM-FFHGMXDLSA-N 2 0 294.443 1.395 10 0 CDAERP Cc1nccn1CCC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662325150 412896744 /nfs/dbraw/zinc/89/67/44/412896744.db2.gz IQKKUNHTOTVUAT-MRXNPFEDSA-N 2 0 294.443 1.624 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H]1CCCO1 ZINC000657566601 412900817 /nfs/dbraw/zinc/90/08/17/412900817.db2.gz RENMKWVACUFEAQ-HNNXBMFYSA-N 2 0 272.352 1.844 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000634121866 379060664 /nfs/dbraw/zinc/06/06/64/379060664.db2.gz JEVBWNZMYSUEST-CYBMUJFWSA-N 2 0 267.417 1.271 10 0 CDAERP CC(C)CCC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662148355 412904374 /nfs/dbraw/zinc/90/43/74/412904374.db2.gz JWHVFMZDRWJFQR-HNNXBMFYSA-N 2 0 254.418 1.954 10 0 CDAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NC1CCC([NH+](C)C)CC1 ZINC000335003706 300002718 /nfs/dbraw/zinc/00/27/18/300002718.db2.gz DADCYOWUQSSZMZ-GFJIZPEISA-N 2 0 282.432 1.156 10 0 CDAERP CCC(=O)CCCN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000450397415 251262101 /nfs/dbraw/zinc/26/21/01/251262101.db2.gz XWLUREIRNFVYCJ-INIZCTEOSA-N 2 0 295.471 1.848 10 0 CDAERP OC(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)(C1CC1)C1CC1 ZINC000657699680 412986617 /nfs/dbraw/zinc/98/66/17/412986617.db2.gz NJGGKKQJKHTWCL-HUUCEWRRSA-N 2 0 264.413 1.754 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000335285677 285230724 /nfs/dbraw/zinc/23/07/24/285230724.db2.gz QJVZDPBUALINBH-CHWSQXEVSA-N 2 0 282.432 1.240 10 0 CDAERP C[C@@H](CNC(=O)C[C@H]1[NH2+]Cc2ccccc21)[N@H+](C)C1CC1 ZINC000662441812 413023073 /nfs/dbraw/zinc/02/30/73/413023073.db2.gz NITKGGNJQPCFMV-BLLLJJGKSA-N 2 0 287.407 1.820 10 0 CDAERP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCC1(C[NH3+])CC1 ZINC000653349460 413023183 /nfs/dbraw/zinc/02/31/83/413023183.db2.gz PZRAIHVCSXPZIF-CQSZACIVSA-N 2 0 297.443 1.025 10 0 CDAERP CC(C)[NH+](C)CC(=O)NCC[N@@H+](C)CC[C@@H](C)F ZINC001663339815 1172675794 /nfs/dbraw/zinc/67/57/94/1172675794.db2.gz SFUONKQZLOKRNQ-GFCCVEGCSA-N 2 0 261.385 1.123 10 0 CDAERP COCC[C@H]1CCCC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000660294193 413040917 /nfs/dbraw/zinc/04/09/17/413040917.db2.gz WPVCPHPYSVQNGD-CVEARBPZSA-N 2 0 286.460 1.826 10 0 CDAERP C[C@H](CCCC[NH3+])NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000417944627 227374817 /nfs/dbraw/zinc/37/48/17/227374817.db2.gz WRRXJKVQGUSIDJ-WLYUNCDWSA-N 2 0 298.475 1.924 10 0 CDAERP CC[C@@H](C(N)=O)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000069016820 390508893 /nfs/dbraw/zinc/50/88/93/390508893.db2.gz MPHPYYIHHDSILX-GUTXKFCHSA-N 2 0 297.443 1.072 10 0 CDAERP CC[N@@H+]1CC[C@H](CN[C@@H]2C[C@H](C)[NH+](C)C[C@@H]2C)C1 ZINC000037644397 285382230 /nfs/dbraw/zinc/38/22/30/285382230.db2.gz GELKOGQGFMOEPZ-BYNSBNAKSA-N 2 0 253.434 1.647 10 0 CDAERP Cn1cnc(CCC[NH2+][C@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)n1 ZINC000647327638 390939950 /nfs/dbraw/zinc/93/99/50/390939950.db2.gz DCHIHXWKSWBDAA-IHRRRGAJSA-N 2 0 277.416 1.210 10 0 CDAERP O[C@H](C[NH2+][C@H]1CCCc2ccccc2C1)C[NH+]1CCCC1 ZINC000648433478 391319704 /nfs/dbraw/zinc/31/97/04/391319704.db2.gz XMXVTVAGIFOJDJ-ZWKOTPCHSA-N 2 0 288.435 1.980 10 0 CDAERP C[NH+](C)C1CCC(NC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000335565787 391446522 /nfs/dbraw/zinc/44/65/22/391446522.db2.gz SKELXMGIWAYWKE-HFDVOGEKSA-N 2 0 294.443 1.395 10 0 CDAERP CS[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000425339536 391464479 /nfs/dbraw/zinc/46/44/79/391464479.db2.gz CPBONBNYVLQBGP-VHDGCEQUSA-N 2 0 284.469 1.971 10 0 CDAERP CC(C)CC[NH+]1CCC(CNC(=O)NCCC[NH3+])CC1 ZINC000417840679 391504604 /nfs/dbraw/zinc/50/46/04/391504604.db2.gz LNCDJFFJENPIEZ-UHFFFAOYSA-N 2 0 284.448 1.393 10 0 CDAERP CS[C@@H]1CC[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000425365718 391493822 /nfs/dbraw/zinc/49/38/22/391493822.db2.gz YOXKTPDUXQTBDE-YNEHKIRRSA-N 2 0 258.431 1.317 10 0 CDAERP C[N@@H+]1CC[C@H](NC[C@@H]2CC[NH2+]C2)[C@@H]1c1ccccc1 ZINC000647992538 391699558 /nfs/dbraw/zinc/69/95/58/391699558.db2.gz MZTFOVVMXGDKCM-KBMXLJTQSA-N 2 0 259.397 1.631 10 0 CDAERP CCc1noc(C2CCC([NH2+][C@@H](C)[C@@H](C)[NH3+])CC2)n1 ZINC000415015417 391724570 /nfs/dbraw/zinc/72/45/70/391724570.db2.gz MZTIFQDRZXIRMF-QKEWWQLBSA-N 2 0 266.389 1.984 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN[C@@H](C)[C@H](C)[NH3+] ZINC000415022734 391727532 /nfs/dbraw/zinc/72/75/32/391727532.db2.gz WAFGTNURTPBISI-QWRGUYRKSA-N 2 0 259.357 1.401 10 0 CDAERP COc1ccc(OC)c(C[NH2+][C@H](C)CCC[NH3+])c1 ZINC000415026795 391728488 /nfs/dbraw/zinc/72/84/88/391728488.db2.gz VLPOTOMNCDEENL-LLVKDONJSA-N 2 0 252.358 1.921 10 0 CDAERP C[C@@H](CCN[C@H]1C[N@H+](C)C[C@H]1C)[NH+]1CCCCC1 ZINC000344294985 391901678 /nfs/dbraw/zinc/90/16/78/391901678.db2.gz LFVSREWHYDEDEG-ILXRZTDVSA-N 2 0 253.434 1.791 10 0 CDAERP CC1(OCC(=O)Nc2cccc(-c3ncc[nH]3)c2)C[NH2+]C1 ZINC000649315251 391998401 /nfs/dbraw/zinc/99/84/01/391998401.db2.gz YIWZYVDLELDCEV-UHFFFAOYSA-N 2 0 286.335 1.394 10 0 CDAERP CC(C)OCC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102980 392009694 /nfs/dbraw/zinc/00/96/94/392009694.db2.gz ZGMAVANIVPFNRY-UHFFFAOYSA-N 2 0 256.390 1.208 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000252442419 391981649 /nfs/dbraw/zinc/98/16/49/391981649.db2.gz ZWTNWFYHCUAFFR-KBPBESRZSA-N 2 0 282.432 1.206 10 0 CDAERP C[N@H+]1CC=C(C[NH2+]Cc2ccc(-n3cncn3)cc2)CC1 ZINC000345164177 392069580 /nfs/dbraw/zinc/06/95/80/392069580.db2.gz LUONCYNQAGYNPK-UHFFFAOYSA-N 2 0 283.379 1.619 10 0 CDAERP CC(C)[C@H](O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000432873734 392092921 /nfs/dbraw/zinc/09/29/21/392092921.db2.gz RZALOHLJBWJMGJ-QGZVFWFLSA-N 2 0 298.471 1.828 10 0 CDAERP CC(C)[C@@H](C[NH2+][C@@H]1COC2(CCC2)C1)N1CC[NH+](C)CC1 ZINC000657834837 413051450 /nfs/dbraw/zinc/05/14/50/413051450.db2.gz VPQNSBOCHGPPRU-JKSUJKDBSA-N 2 0 295.471 1.560 10 0 CDAERP CN(C(=O)CCC(C)(C)[NH3+])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000649322719 392019430 /nfs/dbraw/zinc/01/94/30/392019430.db2.gz ICMJOKGGQAXHGI-LBPRGKRZSA-N 2 0 253.390 1.199 10 0 CDAERP c1ccc(C[N@H+]2CCC[C@@H](CN[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000380947049 392193384 /nfs/dbraw/zinc/19/33/84/392193384.db2.gz PIUIWOPBKTUXDZ-DLBZAZTESA-N 2 0 273.424 1.850 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CC[C@@H]1CCO[C@H](C)C1 ZINC000423036672 392291673 /nfs/dbraw/zinc/29/16/73/392291673.db2.gz UNNQGPRDPKWOTB-MCIONIFRSA-N 2 0 258.406 1.535 10 0 CDAERP CC1=CCN(CC[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000423039060 392293338 /nfs/dbraw/zinc/29/33/38/392293338.db2.gz PLDQIBPMLSFGOI-HUUCEWRRSA-N 2 0 251.418 1.616 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCOc2ccc(OC)cc21 ZINC000423053929 392303402 /nfs/dbraw/zinc/30/34/02/392303402.db2.gz TXFOFEWWJVFVRH-DOMZBBRYSA-N 2 0 294.395 1.862 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]2C[NH3+])C1 ZINC000423092832 392336897 /nfs/dbraw/zinc/33/68/97/392336897.db2.gz DPLWWYGCMVUGSL-VOAKCMCISA-N 2 0 254.374 1.435 10 0 CDAERP CC[C@H](C)c1nnc([C@H](C)[NH2+][C@@H](CCC[NH3+])COC)[nH]1 ZINC000423079682 392324925 /nfs/dbraw/zinc/32/49/25/392324925.db2.gz REOMIAIAOBOUSG-SRVKXCTJSA-N 2 0 283.420 1.723 10 0 CDAERP C(CC[NH2+][C@H](C1CC1)[C@@H]1CNCCO1)CC[NH+]1CCCC1 ZINC000423131990 392369087 /nfs/dbraw/zinc/36/90/87/392369087.db2.gz IOHUYKXRDBCLMI-DLBZAZTESA-N 2 0 295.471 1.609 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000568148469 392371978 /nfs/dbraw/zinc/37/19/78/392371978.db2.gz XSKWSVVOQQDWIZ-MRXNPFEDSA-N 2 0 289.423 1.825 10 0 CDAERP C([NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)[C@@H]1CCC[NH2+]1 ZINC000423234152 392460561 /nfs/dbraw/zinc/46/05/61/392460561.db2.gz LDCXSBDYHDOFLZ-LXTVHRRPSA-N 2 0 252.402 1.923 10 0 CDAERP CCn1ccnc1[C@H](C)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423283593 392487037 /nfs/dbraw/zinc/48/70/37/392487037.db2.gz XMHMDSKGHRVFSJ-STQMWFEESA-N 2 0 250.390 1.943 10 0 CDAERP O=C([C@@H]1C[NH2+]Cc2ccccc21)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000574276324 392560075 /nfs/dbraw/zinc/56/00/75/392560075.db2.gz VOKLJLXTIWWWOG-JKIFEVAISA-N 2 0 299.418 1.331 10 0 CDAERP CC(C)[NH+]1CCC(O)(C[NH2+][C@H]2C[C@@H](C)[C@@H]2C)CC1 ZINC000495054611 393165686 /nfs/dbraw/zinc/16/56/86/393165686.db2.gz VLWIQXYPRPMHCF-RDBSUJKOSA-N 2 0 254.418 1.856 10 0 CDAERP CS[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000451318163 393219274 /nfs/dbraw/zinc/21/92/74/393219274.db2.gz FDKLRZDTLNIOPT-AWEZNQCLSA-N 2 0 297.468 1.167 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C[NH2+]C1CC1 ZINC000645951243 393427107 /nfs/dbraw/zinc/42/71/07/393427107.db2.gz XKNBLPOBDWIAQD-RYUDHWBXSA-N 2 0 253.390 1.118 10 0 CDAERP C[N@@H+]1CCCN(CCC[NH2+][C@H]2COC3(CCC3)C2)CC1 ZINC000657873476 413066091 /nfs/dbraw/zinc/06/60/91/413066091.db2.gz UBPUGMODNWIVSL-OAHLLOKOSA-N 2 0 281.444 1.315 10 0 CDAERP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2COC3(CCC3)C2)CC1 ZINC000657873898 413066266 /nfs/dbraw/zinc/06/62/66/413066266.db2.gz ZXKKQJQKXKIYTP-INIZCTEOSA-N 2 0 295.471 1.561 10 0 CDAERP C[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)C(C)(C)C[NH+](C)C ZINC000183585300 140028427 /nfs/dbraw/zinc/02/84/27/140028427.db2.gz BPIGEPGIVXGNBL-GFCCVEGCSA-N 2 0 292.427 1.854 10 0 CDAERP O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188782457 140101091 /nfs/dbraw/zinc/10/10/91/140101091.db2.gz CFELSGMQNSMZQI-SWLSCSKDSA-N 2 0 297.418 1.600 10 0 CDAERP C[C@H](CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)[C@H]1CCC[NH2+]C1 ZINC000249530639 140295273 /nfs/dbraw/zinc/29/52/73/140295273.db2.gz AXRGYIAXTOEFAH-RFQIPJPRSA-N 2 0 267.417 1.126 10 0 CDAERP [NH3+][C@H](C(=O)NCC[NH2+]C1CCCCCC1)C1CCOCC1 ZINC000261733162 140382743 /nfs/dbraw/zinc/38/27/43/140382743.db2.gz JYMLYJMIQLDTEL-HNNXBMFYSA-N 2 0 297.443 1.169 10 0 CDAERP CCOC(=O)C1(COC)CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000261768825 140386770 /nfs/dbraw/zinc/38/67/70/140386770.db2.gz MZVUMJQBVCQKKC-UHFFFAOYSA-N 2 0 298.427 1.278 10 0 CDAERP C[N@@H+](CC(=O)N1CC[NH2+]CC1)CC1CCC(C)(C)CC1 ZINC000261771769 140387518 /nfs/dbraw/zinc/38/75/18/140387518.db2.gz OTTAAADFPSOANW-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP CC1(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CCC1 ZINC000261801033 140392084 /nfs/dbraw/zinc/39/20/84/140392084.db2.gz YTJLWTTWBJXBKJ-GJZGRUSLSA-N 2 0 293.455 1.757 10 0 CDAERP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2cn[nH]c2)CC[NH2+]CC1 ZINC000423008990 285666385 /nfs/dbraw/zinc/66/63/85/285666385.db2.gz BMGKBNMFOBROME-NEPJUHHUSA-N 2 0 294.399 1.382 10 0 CDAERP COc1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc(OC)c1O ZINC000656269179 413145743 /nfs/dbraw/zinc/14/57/43/413145743.db2.gz LYJOOIVOMFQNLE-BJHJDKERSA-N 2 0 294.395 1.839 10 0 CDAERP CC(C)[NH2+]CCC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662594274 413167368 /nfs/dbraw/zinc/16/73/68/413167368.db2.gz PRLIGPSNDNXZNZ-OAHLLOKOSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCCCC[C@H]1CCO ZINC000660495423 413169076 /nfs/dbraw/zinc/16/90/76/413169076.db2.gz JQHKSUVHVZPNDO-GJZGRUSLSA-N 2 0 272.433 1.315 10 0 CDAERP CCc1cc(N[C@@H](C)[C@@H](C)[NH3+])nc(-c2ccncc2)n1 ZINC000420255999 397690491 /nfs/dbraw/zinc/69/04/91/397690491.db2.gz CBLUHSUDMOCIRN-MNOVXSKESA-N 2 0 271.368 1.671 10 0 CDAERP Fc1cnccc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000449082862 397758592 /nfs/dbraw/zinc/75/85/92/397758592.db2.gz QHUGAFMPOLQAPW-UHFFFAOYSA-N 2 0 267.348 1.423 10 0 CDAERP C[N@H+](CCN1CC[NH2+]CC1)C[C@@H]1CCCCC1(F)F ZINC000394683134 397831028 /nfs/dbraw/zinc/83/10/28/397831028.db2.gz ZNSBUCWBHOSLOJ-ZDUSSCGKSA-N 2 0 275.387 1.649 10 0 CDAERP C[C@H](CC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)n1ccnc1 ZINC000649765219 397943406 /nfs/dbraw/zinc/94/34/06/397943406.db2.gz CRYZBOKKHIZFCE-MCIONIFRSA-N 2 0 278.400 1.775 10 0 CDAERP COCC[N@@H+]1CCN(CCC[NH+]2CCCCC2)C(C)(C)C1 ZINC000649851118 397995103 /nfs/dbraw/zinc/99/51/03/397995103.db2.gz MASKNPOIWALQEG-UHFFFAOYSA-N 2 0 297.487 1.905 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000390789461 397981422 /nfs/dbraw/zinc/98/14/22/397981422.db2.gz VKQPHXKUYPHMND-GDBMZVCRSA-N 2 0 291.439 1.997 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]C[C@@H](F)CC ZINC001663968592 1172795530 /nfs/dbraw/zinc/79/55/30/1172795530.db2.gz UJCGROVYFAMNPE-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CCCn2ccnc21 ZINC000658105443 413204430 /nfs/dbraw/zinc/20/44/30/413204430.db2.gz AABFXRJNBMPOOK-LSDHHAIUSA-N 2 0 293.459 1.580 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000658105871 413204695 /nfs/dbraw/zinc/20/46/95/413204695.db2.gz FFJHGCIRQGQPSK-KKUMJFAQSA-N 2 0 271.449 1.273 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262353729 149050734 /nfs/dbraw/zinc/05/07/34/149050734.db2.gz HPXQSIUYEPUTTM-XQQFMLRXSA-N 2 0 255.406 1.221 10 0 CDAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000262626419 149085243 /nfs/dbraw/zinc/08/52/43/149085243.db2.gz BZCAUVKVYQRDSG-FQUUOJAGSA-N 2 0 265.401 1.199 10 0 CDAERP Cc1cnn(CC[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c1 ZINC000404281018 413236623 /nfs/dbraw/zinc/23/66/23/413236623.db2.gz DYTPOPTYHOHOGV-KBPBESRZSA-N 2 0 250.390 1.641 10 0 CDAERP CC1CC[NH+](CCNC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000334883227 150029769 /nfs/dbraw/zinc/02/97/69/150029769.db2.gz ZPDXMGOFHWQJNM-LSDHHAIUSA-N 2 0 294.443 1.112 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000418602376 297105603 /nfs/dbraw/zinc/10/56/03/297105603.db2.gz VNHXSIMFTYTWAN-APIJFGDWSA-N 2 0 294.443 1.110 10 0 CDAERP CC(C)[N@@H+](CCCNC(=O)C1([NH+](C)C)CCC1)C[C@H](C)O ZINC001664513985 1172863367 /nfs/dbraw/zinc/86/33/67/1172863367.db2.gz UQTSGLXIWNAMDM-AWEZNQCLSA-N 2 0 299.459 1.068 10 0 CDAERP C[C@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000343555831 152222587 /nfs/dbraw/zinc/22/25/87/152222587.db2.gz FZGOEFJOFZZZDE-WMLDXEAASA-N 3 0 291.439 1.667 10 0 CDAERP [NH3+]C1(CC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000662663264 413270796 /nfs/dbraw/zinc/27/07/96/413270796.db2.gz CNTXPMSJJHHICK-LBPRGKRZSA-N 2 0 293.436 1.883 10 0 CDAERP [NH3+]C1(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000662669027 413284007 /nfs/dbraw/zinc/28/40/07/413284007.db2.gz MZZJIDNMBTWQNU-UHFFFAOYSA-N 2 0 287.407 1.780 10 0 CDAERP CC[C@@H]1C[C@H](C[NH2+]CCOCC[NH+](C)C)CCO1 ZINC000349189233 154065729 /nfs/dbraw/zinc/06/57/29/154065729.db2.gz GDYZNLRKZODMCE-ZIAGYGMSSA-N 2 0 258.406 1.359 10 0 CDAERP CC(C)[NH+]1CCC([NH2+]CC[C@@H](O)C(F)(F)F)CC1 ZINC000349292606 154082524 /nfs/dbraw/zinc/08/25/24/154082524.db2.gz CYJUWBYSJYWZCQ-LLVKDONJSA-N 2 0 268.323 1.762 10 0 CDAERP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)NC(C)(C)C)C1 ZINC000350288066 154360878 /nfs/dbraw/zinc/36/08/78/154360878.db2.gz QRYQNGWKUAOAHP-AWEZNQCLSA-N 2 0 299.459 1.334 10 0 CDAERP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000262307352 289396429 /nfs/dbraw/zinc/39/64/29/289396429.db2.gz ROZATAWDNCTRAL-KKUMJFAQSA-N 2 0 281.444 1.694 10 0 CDAERP CC(C)([NH3+])c1cc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)on1 ZINC000662681276 413304052 /nfs/dbraw/zinc/30/40/52/413304052.db2.gz DNGHSCJYQQIQGK-JTQLQIEISA-N 2 0 292.383 1.083 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CC2([NH3+])CC2)C1 ZINC000662683928 413306897 /nfs/dbraw/zinc/30/68/97/413306897.db2.gz XGRWSSHVELMJBA-BETUJISGSA-N 2 0 267.417 1.352 10 0 CDAERP C[N@@H+]1CC[C@@]2(C1)CCCN(CC(=O)NC(C)(C)C)C2 ZINC000660654369 413339122 /nfs/dbraw/zinc/33/91/22/413339122.db2.gz HFGGNMIFNPDQEV-OAHLLOKOSA-N 2 0 267.417 1.319 10 0 CDAERP CCN(C(=O)N[C@@H]1C[NH+](C2CC2)C[C@H]1C)[C@@H]1CC[N@H+](C)C1 ZINC000664406995 413354867 /nfs/dbraw/zinc/35/48/67/413354867.db2.gz VTBNVTIBLRXAMT-BPLDGKMQSA-N 2 0 294.443 1.205 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000357955997 157845893 /nfs/dbraw/zinc/84/58/93/157845893.db2.gz JMGXKEVDZAMUPG-UONOGXRCSA-N 2 0 286.464 1.745 10 0 CDAERP C[C@H](C[N@H+](C)CC(=O)N1CC[NH2+]CC1)C(C)(C)C ZINC000310847504 413365868 /nfs/dbraw/zinc/36/58/68/413365868.db2.gz PXJODCLBWPIVQO-GFCCVEGCSA-N 2 0 255.406 1.032 10 0 CDAERP C[NH+](C)Cc1cccc(C(=O)N2CCC[C@@H]2C[NH+](C)C)c1 ZINC000362499127 159162010 /nfs/dbraw/zinc/16/20/10/159162010.db2.gz OMYIHZLZBLKCPM-MRXNPFEDSA-N 2 0 289.423 1.914 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000654529150 413395992 /nfs/dbraw/zinc/39/59/92/413395992.db2.gz DTGFYQBLRXLSBA-MGPQQGTHSA-N 2 0 265.401 1.071 10 0 CDAERP CC[N@H+](CC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C)C1CC1 ZINC000372150086 160084734 /nfs/dbraw/zinc/08/47/34/160084734.db2.gz MWKRNZSBNABIMY-LQDVMPOASA-N 2 0 279.428 1.602 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000422911920 298391693 /nfs/dbraw/zinc/39/16/93/298391693.db2.gz UVYNHUDIPUFHJK-ZBFHGGJFSA-N 2 0 291.439 1.793 10 0 CDAERP CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(C(C)(C)[NH3+])no2)C1 ZINC000662749705 413425970 /nfs/dbraw/zinc/42/59/70/413425970.db2.gz OIJJMIBEQVIIHJ-LLVKDONJSA-N 2 0 294.399 1.282 10 0 CDAERP CCC1CCC(C[NH3+])(N2CCC[N@H+](C)CC2)CC1 ZINC000020217740 171079661 /nfs/dbraw/zinc/07/96/61/171079661.db2.gz ODNWDMWXHGXVCD-UHFFFAOYSA-N 2 0 253.434 1.922 10 0 CDAERP C[C@H]1C[N@H+](CCCC(=O)Nc2cccc(C[NH3+])c2)CCO1 ZINC000022156125 171362414 /nfs/dbraw/zinc/36/24/14/171362414.db2.gz AWKRRWQJOMRMDX-ZDUSSCGKSA-N 2 0 291.395 1.585 10 0 CDAERP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000653167413 412103879 /nfs/dbraw/zinc/10/38/79/412103879.db2.gz SWJWTWQMGAZMSS-NUEKZKHPSA-N 2 0 287.407 1.589 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000653176192 412116598 /nfs/dbraw/zinc/11/65/98/412116598.db2.gz MSEQFHSCJHEOHC-CHWSQXEVSA-N 2 0 255.406 1.079 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653175916 412117293 /nfs/dbraw/zinc/11/72/93/412117293.db2.gz FTXLDMRUDAKVGV-CQSZACIVSA-N 2 0 269.433 1.470 10 0 CDAERP [NH3+]CC1(CCNC(=O)c2cccn2C2CC[NH2+]CC2)CC1 ZINC000653216175 412143445 /nfs/dbraw/zinc/14/34/45/412143445.db2.gz QONDEEGSDMUCIM-UHFFFAOYSA-N 2 0 290.411 1.271 10 0 CDAERP CCO[C@@H]1CN(C(=O)[C@H]2CCCCCC[C@H]2[NH3+])C[C@H]1C[NH3+] ZINC000653243978 412161142 /nfs/dbraw/zinc/16/11/42/412161142.db2.gz SXBZHQCFMWIKGY-LXTVHRRPSA-N 2 0 297.443 1.106 10 0 CDAERP CC[C@@H]1CN(C(=O)c2cc(C(C)(C)[NH3+])no2)CC[C@@H]1[NH3+] ZINC000662776077 413480633 /nfs/dbraw/zinc/48/06/33/413480633.db2.gz UJFKWUOFXZOCKH-ZJUUUORDSA-N 2 0 280.372 1.068 10 0 CDAERP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662794150 413511526 /nfs/dbraw/zinc/51/15/26/413511526.db2.gz OPEQRZVQFUMLKN-QWRGUYRKSA-N 2 0 294.399 1.281 10 0 CDAERP C[NH+](C)[C@H]1CCCN(C(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000662794175 413513379 /nfs/dbraw/zinc/51/33/79/413513379.db2.gz PHKXUPJXRZLZJY-AWEZNQCLSA-N 2 0 279.428 1.604 10 0 CDAERP O=C(C[NH2+]CC1CC1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000662864378 413626360 /nfs/dbraw/zinc/62/63/60/413626360.db2.gz BHHCVZSDVMURIA-HZPDHXFCSA-N 2 0 287.407 1.248 10 0 CDAERP O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000662885817 413653623 /nfs/dbraw/zinc/65/36/23/413653623.db2.gz XGMBNYSOKXECGY-RZFFKMDDSA-N 2 0 287.363 1.036 10 0 CDAERP [NH3+]CC1(CNc2ccc([C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000656793612 413660707 /nfs/dbraw/zinc/66/07/07/413660707.db2.gz VGJAOPJOPURFAF-CQSZACIVSA-N 2 0 261.369 1.498 10 0 CDAERP CN1c2ccccc2C[C@@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1=O ZINC000656786872 413666034 /nfs/dbraw/zinc/66/60/34/413666034.db2.gz CJHRCPPHYFAMJZ-MGPQQGTHSA-N 2 0 273.380 1.434 10 0 CDAERP C[C@@H]1C[C@H](C[N@H+]2C[C@]3(C)COC[C@]3(C)C2)CC[NH2+]1 ZINC000656787977 413668693 /nfs/dbraw/zinc/66/86/93/413668693.db2.gz BLJBSZMLECYPMX-TUVASFSCSA-N 2 0 252.402 1.733 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000662925384 413708466 /nfs/dbraw/zinc/70/84/66/413708466.db2.gz PQAWRPBSSHNWQG-CHWSQXEVSA-N 2 0 283.803 1.829 10 0 CDAERP CC(C)[NH2+]CC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000659325107 413716242 /nfs/dbraw/zinc/71/62/42/413716242.db2.gz JBLCJVADDZNSLI-AWEZNQCLSA-N 2 0 261.369 1.069 10 0 CDAERP C[C@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659347392 413738083 /nfs/dbraw/zinc/73/80/83/413738083.db2.gz DJCVKXSEFFYCRO-DTZQCDIJSA-N 2 0 287.407 1.246 10 0 CDAERP C[C@@H](C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)[C@H](C)[NH3+] ZINC000659367041 413750188 /nfs/dbraw/zinc/75/01/88/413750188.db2.gz LBWBBWNMLASUCJ-SUNKGSAMSA-N 2 0 277.368 1.269 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659493974 413884115 /nfs/dbraw/zinc/88/41/15/413884115.db2.gz KCOMXPGEFOFESF-OPFPJEHXSA-N 2 0 282.432 1.240 10 0 CDAERP Cc1cncc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)n1 ZINC000665274867 414008436 /nfs/dbraw/zinc/00/84/36/414008436.db2.gz ZTZNKFLGRBKPEC-BZUAXINKSA-N 2 0 274.412 1.838 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1c(C2CCC2)cnn1C ZINC000665274683 414008670 /nfs/dbraw/zinc/00/86/70/414008670.db2.gz VYNNSMMXWMGMFS-ZDUSSCGKSA-N 2 0 280.416 1.531 10 0 CDAERP CO[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)[C@@H]1CCOC1 ZINC000665234715 413961870 /nfs/dbraw/zinc/96/18/70/413961870.db2.gz JDWUIIMSNDHKLD-HHTDUIENSA-N 2 0 256.390 1.145 10 0 CDAERP COC[C@H]([NH2+][C@@H](C)CCCC[NH3+])C1CCOCC1 ZINC000665236936 413969598 /nfs/dbraw/zinc/96/95/98/413969598.db2.gz WTWINCRDYXJDRX-JSGCOSHPSA-N 2 0 258.406 1.535 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000665240555 413971335 /nfs/dbraw/zinc/97/13/35/413971335.db2.gz NJZGQJVAAHZHKS-GVDBMIGSSA-N 2 0 289.423 1.223 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@H]1CCc2cc(N)ccc21 ZINC000665273463 414004419 /nfs/dbraw/zinc/00/44/19/414004419.db2.gz XPLKSGVWQCZJRO-BLQKSXIESA-N 2 0 275.396 1.598 10 0 CDAERP C([NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1)C12CC(C1)C[NH2+]2 ZINC000665280301 414020890 /nfs/dbraw/zinc/02/08/90/414020890.db2.gz YBWMQMNQMSFUHB-ZMUBYXEMSA-N 2 0 264.413 1.923 10 0 CDAERP C[NH+]1CCC[C@H](NC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000655131453 414078976 /nfs/dbraw/zinc/07/89/76/414078976.db2.gz AVYNNOZOBXJPTO-KBPBESRZSA-N 2 0 282.432 1.112 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC000655131863 414084817 /nfs/dbraw/zinc/08/48/17/414084817.db2.gz UXTIWAGCPZVUCR-KBPBESRZSA-N 2 0 282.432 1.205 10 0 CDAERP COCCOCCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657296137 414132133 /nfs/dbraw/zinc/13/21/33/414132133.db2.gz ANSDNBSDBBLJPK-UHFFFAOYSA-N 2 0 290.367 1.410 10 0 CDAERP CC[C@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(C)CC2)CO1 ZINC000657308658 414147008 /nfs/dbraw/zinc/14/70/08/414147008.db2.gz WPJQUMYAKCGSLP-CABCVRRESA-N 2 0 269.433 1.171 10 0 CDAERP COC[C@H](C[N@@H+]1CCC[C@@H](n2ccnc2)C1)OC ZINC000659883521 414223995 /nfs/dbraw/zinc/22/39/95/414223995.db2.gz VMHFMMJDPZRAIX-OLZOCXBDSA-N 2 0 253.346 1.181 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000655804913 414198909 /nfs/dbraw/zinc/19/89/09/414198909.db2.gz FXGIHBDHYRGCAX-KBXIAJHMSA-N 3 0 251.418 1.543 10 0 CDAERP COc1ccccc1[C@@H]1C[NH2+]CCN1C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663492690 414290363 /nfs/dbraw/zinc/29/03/63/414290363.db2.gz BEEAOGOPKOUDDO-KMFMINBZSA-N 2 0 287.407 1.251 10 0 CDAERP O[C@H]1CC[C@@H](C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657445822 414342059 /nfs/dbraw/zinc/34/20/59/414342059.db2.gz LEPUKXZXADJGMD-DOMZBBRYSA-N 2 0 272.352 1.518 10 0 CDAERP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000661776061 414361543 /nfs/dbraw/zinc/36/15/43/414361543.db2.gz XPBLVZKFKDQISK-ARFHVFGLSA-N 2 0 294.443 1.034 10 0 CDAERP CC(C)(C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)OCCO ZINC000657469412 414364895 /nfs/dbraw/zinc/36/48/95/414364895.db2.gz ULOJRXBKVHJWOX-UHFFFAOYSA-N 2 0 290.367 1.144 10 0 CDAERP CO[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CCOC1 ZINC000657540020 414424105 /nfs/dbraw/zinc/42/41/05/414424105.db2.gz FXGZJFJOOOKITN-APIJFGDWSA-N 2 0 268.401 1.254 10 0 CDAERP CO[C@@H](C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)C1CCC1 ZINC000662273783 414605465 /nfs/dbraw/zinc/60/54/65/414605465.db2.gz OYUMJNYBHNDVJA-PMPSAXMXSA-N 2 0 282.428 1.630 10 0 CDAERP c1cc2c(cc1C[N@@H+]1CC[C@H]3COC[C@H]3C1)C[NH2+]CC2 ZINC000662316235 414635109 /nfs/dbraw/zinc/63/51/09/414635109.db2.gz JJZWNDOBMVZHFZ-DOTOQJQBSA-N 2 0 272.392 1.801 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)C2CCC([NH3+])CC2)C1 ZINC000040503533 174300750 /nfs/dbraw/zinc/30/07/50/174300750.db2.gz FESDVLPDBHGDGK-WXRRBKDZSA-N 2 0 253.390 1.104 10 0 CDAERP C[C@H]1CCC[C@H]([N@@H+]2CCC[C@@H]2C(=O)N2CC[NH2+]CC2)C1 ZINC000040508073 174302556 /nfs/dbraw/zinc/30/25/56/174302556.db2.gz QVVULQPQNWPTTO-SOUVJXGZSA-N 2 0 279.428 1.461 10 0 CDAERP Cc1cc(C)c(C(N)=[NH2+])c(N(C)C2CC[NH+](C)CC2)n1 ZINC000040515055 174306504 /nfs/dbraw/zinc/30/65/04/174306504.db2.gz DSWGJXWFOBGJDQ-UHFFFAOYSA-N 2 0 275.400 1.513 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](C[NH2+]C2CCC3(CC2)OCCO3)C1 ZINC000040621885 174354562 /nfs/dbraw/zinc/35/45/62/174354562.db2.gz MDIQJIKQMCXSHJ-CQSZACIVSA-N 2 0 282.428 1.992 10 0 CDAERP CC[NH+]1CCC(N(C)C2(C[NH3+])CC[NH+](C(C)C)CC2)CC1 ZINC000042615738 174828790 /nfs/dbraw/zinc/82/87/90/174828790.db2.gz LFJXRFFBNLXNQH-UHFFFAOYSA-N 3 0 296.503 1.604 10 0 CDAERP CC[C@@H]([NH3+])[C@@H](c1ccncc1)N1CC[NH+](CC2CC2)CC1 ZINC000043354236 175021261 /nfs/dbraw/zinc/02/12/61/175021261.db2.gz JKNPADMZJFHNEW-IAGOWNOFSA-N 2 0 288.439 1.888 10 0 CDAERP C[C@@H]([NH3+])[C@H](c1ccncc1)N1CCC(C[NH+](C)C)CC1 ZINC000043354412 175021278 /nfs/dbraw/zinc/02/12/78/175021278.db2.gz QNXLBLOKQDICRH-CZUORRHYSA-N 2 0 276.428 1.744 10 0 CDAERP [NH3+]CC1(N2CCO[C@@H]3CCCC[C@H]32)CCSCC1 ZINC000043424864 175039816 /nfs/dbraw/zinc/03/98/16/175039816.db2.gz OFUIUPCKMAUHTR-CHWSQXEVSA-N 2 0 270.442 1.854 10 0 CDAERP C[NH+]1CCC(C[NH3+])(N2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000043424917 175040298 /nfs/dbraw/zinc/04/02/98/175040298.db2.gz CIWUUONLCZJJSO-UONOGXRCSA-N 2 0 267.417 1.053 10 0 CDAERP CCOC(=O)[C@H](C)C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000043613378 175078929 /nfs/dbraw/zinc/07/89/29/175078929.db2.gz QGSPDLRFNMYKBE-NEPJUHHUSA-N 2 0 254.374 1.260 10 0 CDAERP C[NH2+][C@H](CN1CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000043810454 175109609 /nfs/dbraw/zinc/10/96/09/175109609.db2.gz XFAGXJZTGBYIBF-OAHLLOKOSA-N 2 0 263.385 1.203 10 0 CDAERP CCC[NH2+][C@H]1CCOC[C@H]1N1CC[NH+](C(C)C)CC1 ZINC000043897221 175119973 /nfs/dbraw/zinc/11/99/73/175119973.db2.gz POTQXSWDWLXJJV-LSDHHAIUSA-N 2 0 269.433 1.170 10 0 CDAERP CCC[NH2+][C@@H]1CCOC[C@@H]1N1CCC([NH+](C)C)CC1 ZINC000043897574 175120345 /nfs/dbraw/zinc/12/03/45/175120345.db2.gz ZPHURXHMWORJQW-CABCVRRESA-N 2 0 269.433 1.170 10 0 CDAERP CC[NH2+][C@@H](CC)[C@@H](C)N1CC[NH+](CC2CC2)CC1 ZINC000043967950 175128887 /nfs/dbraw/zinc/12/88/87/175128887.db2.gz GMDZAWRTJQFWLM-HIFRSBDPSA-N 2 0 253.434 1.791 10 0 CDAERP CCN(CC)C(=O)[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000044518317 175190958 /nfs/dbraw/zinc/19/09/58/175190958.db2.gz LCZPMUDMZHJNBX-LBPRGKRZSA-N 2 0 255.406 1.175 10 0 CDAERP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc3c(c2)OCO3)C1 ZINC000044535685 175198469 /nfs/dbraw/zinc/19/84/69/175198469.db2.gz JSOWJIVAXMFRLC-ZDUSSCGKSA-N 2 0 262.353 1.847 10 0 CDAERP CCC[NH2+]CC(=O)N1CCC([NH+](CC)CC)CC1 ZINC000044650699 175224241 /nfs/dbraw/zinc/22/42/41/175224241.db2.gz VBUJNFFLZQZTGU-UHFFFAOYSA-N 2 0 255.406 1.319 10 0 CDAERP CCC(CC)(C[NH3+])C(=O)N1CCC([NH+](C)C)CC1 ZINC000044762898 175246737 /nfs/dbraw/zinc/24/67/37/175246737.db2.gz YKXQBNCMVKJYPW-UHFFFAOYSA-N 2 0 255.406 1.304 10 0 CDAERP C[NH+](C)C(C)(C)CNC(=O)C1(C[NH3+])CCCCCC1 ZINC000044764318 175248338 /nfs/dbraw/zinc/24/83/38/175248338.db2.gz JWBLYCDIOPIYRT-UHFFFAOYSA-N 2 0 269.433 1.742 10 0 CDAERP C[NH+](C)CC(C)(C)CNC(=O)[C@H](C[NH3+])Cc1ccccc1 ZINC000044798055 175254592 /nfs/dbraw/zinc/25/45/92/175254592.db2.gz HWHJOIAUPWVKMV-HNNXBMFYSA-N 2 0 291.439 1.508 10 0 CDAERP CCC[C@H](C[NH3+])C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000044995399 175287183 /nfs/dbraw/zinc/28/71/83/175287183.db2.gz WPMGQLHYMOWFHQ-CHWSQXEVSA-N 2 0 255.406 1.352 10 0 CDAERP CC[NH2+][C@@](C)(CCC[N@@H+]1CCCC[C@@H]1CC)C(N)=O ZINC000045384313 175370982 /nfs/dbraw/zinc/37/09/82/175370982.db2.gz GRHWPXAANOQHPZ-ZFWWWQNUSA-N 2 0 269.433 1.885 10 0 CDAERP CCC[N@H+](CCCC[C@@](C)([NH2+]CC)C(N)=O)C1CC1 ZINC000045387458 175372822 /nfs/dbraw/zinc/37/28/22/175372822.db2.gz QXRXRKRCNCJQEK-OAHLLOKOSA-N 2 0 269.433 1.885 10 0 CDAERP CC[N@H+](CCC[C@](C)([NH2+]C(C)C)C(N)=O)C1CC1 ZINC000045386603 175373070 /nfs/dbraw/zinc/37/30/70/175373070.db2.gz RPACMIAGWVMSLA-AWEZNQCLSA-N 2 0 255.406 1.493 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000070317019 175887223 /nfs/dbraw/zinc/88/72/23/175887223.db2.gz PJLOUKWPZWSJJJ-CYBMUJFWSA-N 2 0 267.417 1.448 10 0 CDAERP CCC[C@H]1C[C@](C[NH3+])(N(C)CCC[NH+](C)C)CCO1 ZINC000070366614 175896471 /nfs/dbraw/zinc/89/64/71/175896471.db2.gz NOPLANLUABMSGW-LSDHHAIUSA-N 2 0 271.449 1.547 10 0 CDAERP COCCOCC[NH+]1CCC(C[NH2+]CC(C)C)CC1 ZINC000070535995 175975983 /nfs/dbraw/zinc/97/59/83/175975983.db2.gz CKSRRJJSXBIWFL-UHFFFAOYSA-N 2 0 272.433 1.607 10 0 CDAERP C[NH+](C)CC1CC[NH+](C[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000070578588 175994601 /nfs/dbraw/zinc/99/46/01/175994601.db2.gz GFTBCUPTKPMWAM-CABCVRRESA-N 3 0 253.434 1.778 10 0 CDAERP CC(C)[NH2+][C@@H]1CCCN([C@@H](C)C[NH+]2CCCC2)C1=O ZINC000071033591 176024020 /nfs/dbraw/zinc/02/40/20/176024020.db2.gz MMKZTMPSGJRCFN-UONOGXRCSA-N 2 0 267.417 1.460 10 0 CDAERP CC(C)[N@H+](C)CCCCN1CC[C@H]([NH2+]C2CC2)C1=O ZINC000071034894 176024658 /nfs/dbraw/zinc/02/46/58/176024658.db2.gz YLEAJHWZSVHAAS-AWEZNQCLSA-N 2 0 267.417 1.460 10 0 CDAERP CC[NH2+][C@@H]1CCCN([C@H](C)C[NH+](CC)CC)C1=O ZINC000071034744 176024955 /nfs/dbraw/zinc/02/49/55/176024955.db2.gz QCCJBXNZFKXADM-CHWSQXEVSA-N 2 0 255.406 1.317 10 0 CDAERP CC[NH+](CC)CCC[C@@H](C)N1CC[C@@H]([NH2+]C2CC2)C1=O ZINC000071038072 176026401 /nfs/dbraw/zinc/02/64/01/176026401.db2.gz YPFLXFBNKHXYTG-UKRRQHHQSA-N 2 0 281.444 1.850 10 0 CDAERP CC[C@@H]1CCC[C@@H]([N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000071126380 176035596 /nfs/dbraw/zinc/03/55/96/176035596.db2.gz SHHUJNGMEFYGLB-QLFBSQMISA-N 2 0 281.444 1.742 10 0 CDAERP CC[C@@H]1CCC[C@@H]([NH+]2CCN([C@@H](C)C[NH3+])CC2)C1 ZINC000071147665 176043222 /nfs/dbraw/zinc/04/32/22/176043222.db2.gz UEBBDYSSCBKLRU-RRFJBIMHSA-N 2 0 253.434 1.920 10 0 CDAERP CC[C@H]([NH3+])[C@@H](c1ccncc1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071187902 176062136 /nfs/dbraw/zinc/06/21/36/176062136.db2.gz ZSSMSDIRKXANSQ-VNQPRFMTSA-N 2 0 276.428 1.744 10 0 CDAERP COc1ccc([C@@H](C[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)cc1C ZINC000071188352 176062839 /nfs/dbraw/zinc/06/28/39/176062839.db2.gz HEWIADCQDIXLKQ-GDBMZVCRSA-N 2 0 291.439 1.887 10 0 CDAERP CC1CCC(C[NH3+])(N(C)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000071188598 176063521 /nfs/dbraw/zinc/06/35/21/176063521.db2.gz NSAIOCBKHREVOI-SHARSMKWSA-N 2 0 253.434 1.778 10 0 CDAERP CN(C[C@H]1CC[N@H+](C)C1)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000071188756 176063572 /nfs/dbraw/zinc/06/35/72/176063572.db2.gz ANGWWEPEVZTPQZ-SOUVJXGZSA-N 2 0 253.434 1.920 10 0 CDAERP CC[NH2+][C@@H]1CCCC[C@H]1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188822 176064010 /nfs/dbraw/zinc/06/40/10/176064010.db2.gz DWPFUQWCSKHMGE-RBSFLKMASA-N 2 0 253.434 1.791 10 0 CDAERP CCOCCC[NH2+]C[C@@H](C)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192312 176073079 /nfs/dbraw/zinc/07/30/79/176073079.db2.gz SIUDLZOZZAOPLU-HUUCEWRRSA-N 2 0 271.449 1.275 10 0 CDAERP C[NH2+]CCCCCCN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000071289937 176110523 /nfs/dbraw/zinc/11/05/23/176110523.db2.gz KGBVXRVQZAEWIQ-OAHLLOKOSA-N 2 0 253.434 1.936 10 0 CDAERP CCn1c(C[NH3+])nnc1SCC[C@@H]1CCCC[N@@H+]1C ZINC000071374946 176140189 /nfs/dbraw/zinc/14/01/89/176140189.db2.gz OHBRMUXWWXLYHO-NSHDSACASA-N 2 0 283.445 1.723 10 0 CDAERP C[C@H]1CC[C@@H](C[NH3+])[C@H](N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000071380505 176145231 /nfs/dbraw/zinc/14/52/31/176145231.db2.gz NSLVAHNXMROGSI-SOUVJXGZSA-N 2 0 283.460 1.138 10 0 CDAERP Cc1nc(C[NH2+]CC2CC[NH+](C[C@H](C)O)CC2)oc1C ZINC000071871125 176283647 /nfs/dbraw/zinc/28/36/47/176283647.db2.gz DUTFXJDEDLKMRN-NSHDSACASA-N 2 0 281.400 1.474 10 0 CDAERP C[C@H]1C[C@H]1NC(=[NH2+])NCC1([NH+]2CCCC2)CCOCC1 ZINC000864457248 724383301 /nfs/dbraw/zinc/38/33/01/724383301.db2.gz BVRKKZAHXQHUGW-QWHCGFSZSA-N 2 0 280.416 1.154 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)[NH2+]CCCO ZINC001665856385 1173074461 /nfs/dbraw/zinc/07/44/61/1173074461.db2.gz MOMICTZMTCGEHS-HUUCEWRRSA-N 2 0 299.459 1.116 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000417939782 227241710 /nfs/dbraw/zinc/24/17/10/227241710.db2.gz LDVDJBCDNKBYGZ-DDHJSBNISA-N 2 0 290.411 1.467 10 0 CDAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000418035921 227962072 /nfs/dbraw/zinc/96/20/72/227962072.db2.gz YLNJWQSHZCADNW-KBPBESRZSA-N 2 0 296.459 1.406 10 0 CDAERP C[C@@H]1CCN(C(=O)[C@](C)([NH3+])c2ccccc2)C[C@@H]1C[NH3+] ZINC000417831603 287563370 /nfs/dbraw/zinc/56/33/70/287563370.db2.gz HWDKFHQDGAXDFT-DVOMOZLQSA-N 2 0 275.396 1.304 10 0 CDAERP COCCOc1cccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000414955225 263160327 /nfs/dbraw/zinc/16/03/27/263160327.db2.gz MAHWYLRILQHTGX-XJKSGUPXSA-N 2 0 278.396 1.799 10 0 CDAERP CO[C@@H](C[NH+]1CCC(OCCC[NH3+])CC1)C1CCC1 ZINC000662248300 423793431 /nfs/dbraw/zinc/79/34/31/423793431.db2.gz YIUPGWUNFUTGBV-HNNXBMFYSA-N 2 0 270.417 1.631 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH2+]C2CC2)[C@H](C)C1 ZINC000655449273 423874846 /nfs/dbraw/zinc/87/48/46/423874846.db2.gz SRSRJWBHVWRVDA-TZMCWYRMSA-N 2 0 267.417 1.317 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH2+]C2CC2)[C@@H](C)C1 ZINC000655449270 423875678 /nfs/dbraw/zinc/87/56/78/423875678.db2.gz SRSRJWBHVWRVDA-GXTWGEPZSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@H](O)CCC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662323983 423953927 /nfs/dbraw/zinc/95/39/27/423953927.db2.gz RSBNXPPKHUVRTP-UONOGXRCSA-N 2 0 258.406 1.190 10 0 CDAERP [NH3+]C1(CNCc2nc3c(s2)C[NH2+]CC3)CCCC1 ZINC000663498026 423890368 /nfs/dbraw/zinc/89/03/68/423890368.db2.gz QLOPUOMXJFRBKI-UHFFFAOYSA-N 2 0 266.414 1.150 10 0 CDAERP C[NH2+]C[C@H](C)NC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000659522784 423891971 /nfs/dbraw/zinc/89/19/71/423891971.db2.gz FQRQCHRSSBIPJY-QWRGUYRKSA-N 2 0 264.373 1.113 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+]C[C@@H]2C[C@@H]2C)CC1 ZINC000663506895 423901573 /nfs/dbraw/zinc/90/15/73/423901573.db2.gz WZZMCNNXGRXGQO-STQMWFEESA-N 2 0 267.417 1.223 10 0 CDAERP COc1ccccc1C1([NH2+]C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662285571 423908247 /nfs/dbraw/zinc/90/82/47/423908247.db2.gz LNXCBOOZHJKLTF-CYBMUJFWSA-N 2 0 288.391 1.795 10 0 CDAERP CC[NH2+]CCNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662410047 424059645 /nfs/dbraw/zinc/05/96/45/424059645.db2.gz URINJILXFSYIOU-CQSZACIVSA-N 2 0 275.396 1.405 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000652215882 424071017 /nfs/dbraw/zinc/07/10/17/424071017.db2.gz BUILEUOHXZOOTL-WFASDCNBSA-N 2 0 290.411 1.203 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000652225421 424089526 /nfs/dbraw/zinc/08/95/26/424089526.db2.gz YYAZRFISBPUPGZ-CABCVRRESA-N 2 0 296.459 1.500 10 0 CDAERP CC(C)([NH3+])c1cc(C(=O)NCC2([NH3+])CCCCCC2)on1 ZINC000662397885 424040002 /nfs/dbraw/zinc/04/00/02/424040002.db2.gz LCVLJPGCASXXDW-UHFFFAOYSA-N 2 0 294.399 1.650 10 0 CDAERP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCCC1(C[NH3+])CC1 ZINC000652241281 424123401 /nfs/dbraw/zinc/12/34/01/424123401.db2.gz BXSAECMXTLGRCF-CYBMUJFWSA-N 2 0 282.432 1.099 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000652222484 424099532 /nfs/dbraw/zinc/09/95/32/424099532.db2.gz PPCCCMLFGQSDNU-NSHDSACASA-N 2 0 294.390 1.246 10 0 CDAERP C[C@@H]([NH3+])c1ccc(C(=O)N[C@H](C[NH3+])C(F)(F)F)cc1 ZINC000655517862 424201766 /nfs/dbraw/zinc/20/17/66/424201766.db2.gz HKMDKHHCTZOPHB-GMSGAONNSA-N 2 0 275.274 1.326 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000662558063 424173089 /nfs/dbraw/zinc/17/30/89/424173089.db2.gz SMBRHBWZSNNYDB-AVGNSLFASA-N 2 0 255.406 1.112 10 0 CDAERP CCN(C(=O)N[C@@H]1CC[NH+](C)[C@@H](C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000664216240 424182828 /nfs/dbraw/zinc/18/28/28/424182828.db2.gz GAIITWGDNUVLPT-BFHYXJOUSA-N 2 0 282.432 1.205 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1)C1CCCCC1 ZINC000653109782 424273499 /nfs/dbraw/zinc/27/34/99/424273499.db2.gz MGVHJDJURUSRJP-HOTGVXAUSA-N 2 0 293.455 1.898 10 0 CDAERP C[NH+](C)C(C)(C)CNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662662200 424286236 /nfs/dbraw/zinc/28/62/36/424286236.db2.gz BWTZDGVDPFBANC-UHFFFAOYSA-N 2 0 253.390 1.118 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662682608 424311913 /nfs/dbraw/zinc/31/19/13/424311913.db2.gz MLHNPJVYLXDKBI-NSHDSACASA-N 2 0 294.399 1.473 10 0 CDAERP C[C@H]([NH2+]C1CCN([C@@H]2CCOC2)CC1)[C@@H]1CCCCO1 ZINC000655747924 424366351 /nfs/dbraw/zinc/36/63/51/424366351.db2.gz MDUASVVFKXCIEU-IMJJTQAJSA-N 2 0 282.428 1.787 10 0 CDAERP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)CC[NH2+]C2CC2)C1 ZINC000655485923 424499660 /nfs/dbraw/zinc/49/96/60/424499660.db2.gz LISZVHKCGMXONX-VHDGCEQUSA-N 2 0 295.427 1.016 10 0 CDAERP CCc1nccn1[C@@H]1CCC[N@H+](CCn2ccnc2)C1 ZINC000163070193 270243266 /nfs/dbraw/zinc/24/32/66/270243266.db2.gz COWBWSSXRZBLML-CQSZACIVSA-N 3 0 273.384 1.979 10 0 CDAERP COc1cc(C[NH2+]C[C@@H]2CC[NH2+]C2)cc(OC)c1 ZINC000398342320 270353683 /nfs/dbraw/zinc/35/36/83/270353683.db2.gz VRXIRTGYZVPXJO-LLVKDONJSA-N 2 0 250.342 1.403 10 0 CDAERP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[NH3+])C(=O)N1CCCC1 ZINC000530221526 271163631 /nfs/dbraw/zinc/16/36/31/271163631.db2.gz FSBRAYCBXUVKMJ-VXGBXAGGSA-N 2 0 253.390 1.104 10 0 CDAERP CC(C)CCC[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530242046 271178422 /nfs/dbraw/zinc/17/84/22/271178422.db2.gz JHTGARVANNZQSK-UHFFFAOYSA-N 2 0 282.432 1.065 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH+](C)CC1CCC1 ZINC001667669250 1173309393 /nfs/dbraw/zinc/30/93/93/1173309393.db2.gz OABJLRMUYOQOFP-UHFFFAOYSA-N 2 0 269.433 1.517 10 0 CDAERP C[C@H](CC[NH2+]CCF)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001668061506 1173362928 /nfs/dbraw/zinc/36/29/28/1173362928.db2.gz VVHVYXVZAQKZCQ-CYBMUJFWSA-N 2 0 287.423 1.705 10 0 CDAERP C(C1CC[NH2+]CC1)[N@@H+]1CCCC[C@H](N2CCCC2)C1 ZINC000336056569 275390130 /nfs/dbraw/zinc/39/01/30/275390130.db2.gz YUHGWULDVGZWLG-INIZCTEOSA-N 2 0 265.445 1.936 10 0 CDAERP C([NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1)[C@H]1C[NH2+]CCCO1 ZINC000423492645 275395319 /nfs/dbraw/zinc/39/53/19/275395319.db2.gz OADKCLSYULPBDY-CAOSSQGBSA-N 2 0 282.428 1.550 10 0 CDAERP CC(=O)Nc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000414933942 275793445 /nfs/dbraw/zinc/79/34/45/275793445.db2.gz AARSAZHUYWHXJN-NHYWBVRUSA-N 2 0 261.369 1.733 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000249614281 276178226 /nfs/dbraw/zinc/17/82/26/276178226.db2.gz OVZIUKVDQMPOCJ-BARDWOONSA-N 2 0 279.428 1.508 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000087617420 276772673 /nfs/dbraw/zinc/77/26/73/276772673.db2.gz KOAKCSCRINDCMH-INIZCTEOSA-N 2 0 287.407 1.426 10 0 CDAERP C[NH2+]C[C@H](C)CN[C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000423275493 277031279 /nfs/dbraw/zinc/03/12/79/277031279.db2.gz NCUJCDCOGOJRDL-JQFCIGGWSA-N 2 0 291.439 1.933 10 0 CDAERP C[N@@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH2+]C2)[C@@H]1c1ccccc1 ZINC000333652262 277167682 /nfs/dbraw/zinc/16/76/82/277167682.db2.gz VZOUWMOXBOBLDE-KKUMJFAQSA-N 2 0 288.395 1.093 10 0 CDAERP C([C@H]1CCC[NH2+]C1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000336056325 277725600 /nfs/dbraw/zinc/72/56/00/277725600.db2.gz FDGSNLRCPWEVCG-JKSUJKDBSA-N 2 0 265.445 1.936 10 0 CDAERP CC(C)[C@H](C(=O)N[C@@H](C[NH3+])C1CCCC1)[C@H](C)[NH3+] ZINC000423966439 277870692 /nfs/dbraw/zinc/87/06/92/277870692.db2.gz RXAOXBUYRDKUSD-DRZSPHRISA-N 2 0 255.406 1.240 10 0 CDAERP C[C@@H]1C[C@H](C[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)CC[NH2+]1 ZINC000414690961 278010184 /nfs/dbraw/zinc/01/01/84/278010184.db2.gz BDBJZHUHTQJTKN-LXTVHRRPSA-N 2 0 253.434 1.789 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000252388831 279130733 /nfs/dbraw/zinc/13/07/33/279130733.db2.gz GLQBVKRBVNZRMO-WCVJEAGWSA-N 2 0 295.471 2.000 10 0 CDAERP CC(C)C[C@H]([NH3+])C[NH2+]CCCOC[C@@H]1CCCO1 ZINC000415086370 279180463 /nfs/dbraw/zinc/18/04/63/279180463.db2.gz JOOOETGHRKOBJU-KBPBESRZSA-N 2 0 258.406 1.535 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000251420209 279180679 /nfs/dbraw/zinc/18/06/79/279180679.db2.gz PQTHEGBHZASJFD-ILXRZTDVSA-N 2 0 253.434 1.776 10 0 CDAERP CC[NH+]1CCC(CC[NH2+][C@H]2CNCC[C@@H]2C)CC1 ZINC000422786454 279257094 /nfs/dbraw/zinc/25/70/94/279257094.db2.gz OVIFQFVRJOOLJK-ZFWWWQNUSA-N 2 0 253.434 1.696 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000335033298 288117032 /nfs/dbraw/zinc/11/70/32/288117032.db2.gz FUCZCWBKLPWEDH-OCCSQVGLSA-N 2 0 292.427 1.007 10 0 CDAERP C[C@H](CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)[NH+](C)C1CC1 ZINC000246342751 279330461 /nfs/dbraw/zinc/33/04/61/279330461.db2.gz CESFBEBKMKMBMC-HIFRSBDPSA-N 2 0 294.443 1.349 10 0 CDAERP C[C@H](O)C[NH+]1CCC(C[NH2+]Cc2ccncc2)CC1 ZINC000069349866 279564457 /nfs/dbraw/zinc/56/44/57/279564457.db2.gz OMZOXCLFGCBXFS-ZDUSSCGKSA-N 2 0 263.385 1.264 10 0 CDAERP CC[NH+](CC)CCCNC(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000194128488 280024741 /nfs/dbraw/zinc/02/47/41/280024741.db2.gz BRUICYBHSPNQAB-CQSZACIVSA-N 2 0 284.448 1.502 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1CNC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000334927057 281000312 /nfs/dbraw/zinc/00/03/12/281000312.db2.gz DXIJICGAPHTGRG-OLZOCXBDSA-N 2 0 296.459 1.533 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000519633675 281033796 /nfs/dbraw/zinc/03/37/96/281033796.db2.gz UTENMWKTTBUQQD-ZNMIVQPWSA-N 2 0 296.459 1.548 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000417533539 288321890 /nfs/dbraw/zinc/32/18/90/288321890.db2.gz MWZAAGGJHXZRCZ-TUVASFSCSA-N 2 0 296.459 1.547 10 0 CDAERP C[C@H](C(=O)N1CCO[C@H](C[NH+](C)C)C1)[NH+]1CCCCCC1 ZINC000173643617 289293114 /nfs/dbraw/zinc/29/31/14/289293114.db2.gz IXVCJUFLSQSDOH-HUUCEWRRSA-N 2 0 297.443 1.040 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)C1 ZINC000417858086 289306670 /nfs/dbraw/zinc/30/66/70/289306670.db2.gz URHDVRWZKDJOLB-BYNSBNAKSA-N 2 0 294.443 1.253 10 0 CDAERP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000262464053 289779478 /nfs/dbraw/zinc/77/94/78/289779478.db2.gz WVAPENQFEVBXPJ-QRTUWBSPSA-N 2 0 279.428 1.493 10 0 CDAERP CCC[C@@H](C(=O)NC[C@H](C)C[NH+]1CCCCC1)[NH+](C)C ZINC000161685675 292811354 /nfs/dbraw/zinc/81/13/54/292811354.db2.gz GZKMZXUXZFFYEP-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000561198771 293062423 /nfs/dbraw/zinc/06/24/23/293062423.db2.gz ONQKCVOUALEDOT-HZSPNIEDSA-N 2 0 282.432 1.158 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000561199289 293062445 /nfs/dbraw/zinc/06/24/45/293062445.db2.gz YKIMPHOVMIXJLM-MGPQQGTHSA-N 2 0 296.459 1.404 10 0 CDAERP CC[NH2+]CCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000561207534 293063274 /nfs/dbraw/zinc/06/32/74/293063274.db2.gz KGWOWAUNYZGULA-CABCVRRESA-N 2 0 296.459 1.643 10 0 CDAERP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000562745516 293189846 /nfs/dbraw/zinc/18/98/46/293189846.db2.gz OZUJSEVXPDWBRC-BBRMVZONSA-N 2 0 270.380 1.960 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000565833753 293693332 /nfs/dbraw/zinc/69/33/32/293693332.db2.gz QZOVRJVMWWELFP-KKUMJFAQSA-N 2 0 253.434 1.966 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000565833761 293693343 /nfs/dbraw/zinc/69/33/43/293693343.db2.gz QZOVRJVMWWELFP-ZNMIVQPWSA-N 2 0 253.434 1.966 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)CC1(F)CC1 ZINC000570856434 294323218 /nfs/dbraw/zinc/32/32/18/294323218.db2.gz AJSBKKCPWJMHQB-CQSZACIVSA-N 2 0 271.424 1.836 10 0 CDAERP C(C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)OC[C@@H]1CCCO1 ZINC000570964150 294343643 /nfs/dbraw/zinc/34/36/43/294343643.db2.gz DYLBLFDJUFYCLH-GJZGRUSLSA-N 2 0 268.401 1.258 10 0 CDAERP [NH3+]CC12CCC(CC1)CN2C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000571221286 294391659 /nfs/dbraw/zinc/39/16/59/294391659.db2.gz DZNDPFPAJKOKLU-HJTLVLNNSA-N 2 0 291.439 1.637 10 0 CDAERP [NH3+]CC12CCC(CC1)CN2C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000571221288 294391792 /nfs/dbraw/zinc/39/17/92/294391792.db2.gz DZNDPFPAJKOKLU-WHJSIAKGSA-N 2 0 291.439 1.637 10 0 CDAERP COc1ccc(CC[NH2+][C@H](C)[C@H]2CC[NH2+]C2)cc1OC ZINC000400516097 295121411 /nfs/dbraw/zinc/12/14/11/295121411.db2.gz GIOVCIKNPYWSBN-OCCSQVGLSA-N 2 0 278.396 1.834 10 0 CDAERP [NH3+]C1(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)CCCC1 ZINC000371239395 295200955 /nfs/dbraw/zinc/20/09/55/295200955.db2.gz ZKUPHDBRIRUWRD-QWHCGFSZSA-N 2 0 265.401 1.249 10 0 CDAERP CC[NH2+]C/C=C/CNC(=O)c1ccccc1CC[NH+](C)C ZINC001668954880 1173482805 /nfs/dbraw/zinc/48/28/05/1173482805.db2.gz ACMLPILQACNGHQ-BQYQJAHWSA-N 2 0 289.423 1.686 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000261676991 295271351 /nfs/dbraw/zinc/27/13/51/295271351.db2.gz GLBFXEXCYPLHJL-GDBMZVCRSA-N 2 0 293.455 1.838 10 0 CDAERP [NH3+][C@H]1CCCC[C@@H]1CC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000261843098 295333288 /nfs/dbraw/zinc/33/32/88/295333288.db2.gz VVHCELCZTJDEKK-CABCVRRESA-N 2 0 279.428 1.448 10 0 CDAERP CC[C@@H](C(=O)NC/C=C\C[NH2+]CC1CCCC1)[NH+](C)C ZINC001669047585 1173497968 /nfs/dbraw/zinc/49/79/68/1173497968.db2.gz ZLICANFSTSKTKH-LZNQSLFOSA-N 2 0 281.444 1.779 10 0 CDAERP C[C@H](CNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)C[NH+]1CCCC1 ZINC000417163954 298734230 /nfs/dbraw/zinc/73/42/30/298734230.db2.gz TUELQUIVZDPWDY-MGPQQGTHSA-N 2 0 282.432 1.016 10 0 CDAERP C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000415005271 298893131 /nfs/dbraw/zinc/89/31/31/298893131.db2.gz RJFURFFXCYYACK-JHJVBQTASA-N 2 0 275.387 1.884 10 0 CDAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000334890413 300002643 /nfs/dbraw/zinc/00/26/43/300002643.db2.gz VACAQHCRVUAMFF-GXTWGEPZSA-N 2 0 296.459 1.547 10 0 CDAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000417932067 300325714 /nfs/dbraw/zinc/32/57/14/300325714.db2.gz MAAZHHCIAQJUKW-VXGQWTEUSA-N 2 0 296.459 1.404 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CC[NH2+]1 ZINC000262417797 300398639 /nfs/dbraw/zinc/39/86/39/300398639.db2.gz QEJNHJJOKQXDOG-HRCADAONSA-N 2 0 293.455 1.851 10 0 CDAERP O=C(C[C@@H]1CCC[NH2+]CC1)N1CCC2(C1)CC[NH2+]CC2 ZINC000336454502 303642399 /nfs/dbraw/zinc/64/23/99/303642399.db2.gz XIBZTALGYKBGNX-CQSZACIVSA-N 2 0 279.428 1.368 10 0 CDAERP O=C(NCCC[NH+]1CCCCC1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000037467370 303766812 /nfs/dbraw/zinc/76/68/12/303766812.db2.gz CDMADNQUFCJAOI-JYJNAYRXSA-N 2 0 293.455 1.899 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)CC1CCC1)[NH+](C)C ZINC001669910132 1173629862 /nfs/dbraw/zinc/62/98/62/1173629862.db2.gz MEJPVAXOXWMZOR-GXTWGEPZSA-N 2 0 269.433 1.563 10 0 CDAERP C[C@](O)(C[NH2+]Cc1ccc2c[nH+]cn2c1)C(F)(F)F ZINC000577386093 317320983 /nfs/dbraw/zinc/32/09/83/317320983.db2.gz LBFDLBFMZKJKNF-NSHDSACASA-N 2 0 273.258 1.737 10 0 CDAERP CC[C@H]1C[N@H+](CC)CCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC000579978646 324337560 /nfs/dbraw/zinc/33/75/60/324337560.db2.gz YJHPMKSROKSBGK-KGLIPLIRSA-N 2 0 267.417 1.271 10 0 CDAERP CN(C)c1cc[nH+]cc1C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000582606998 325008277 /nfs/dbraw/zinc/00/82/77/325008277.db2.gz IGWHMPMKCONBSX-UHFFFAOYSA-N 2 0 288.395 1.363 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H](c3ncc[nH]3)C2)C1 ZINC000583702317 325226571 /nfs/dbraw/zinc/22/65/71/325226571.db2.gz PUBHSWNFBBQCSF-STQMWFEESA-N 2 0 276.384 1.458 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000583936157 325270906 /nfs/dbraw/zinc/27/09/06/325270906.db2.gz SFMLXZMRKOCMCI-OWCLPIDISA-N 2 0 287.407 1.459 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CC2(C)CC2)CC1 ZINC000584268008 327204798 /nfs/dbraw/zinc/20/47/98/327204798.db2.gz FVGFZAUEWSHGII-HNNXBMFYSA-N 2 0 265.445 1.888 10 0 CDAERP C[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)CCC1CC1 ZINC001267225892 1159190655 /nfs/dbraw/zinc/19/06/55/1159190655.db2.gz GRENGDDVKRXGQO-CQSZACIVSA-N 2 0 267.417 1.176 10 0 CDAERP CC[C@H](C(=O)N(C)[C@H]1CC[N@H+](CCCCOC)C1)[NH+](C)C ZINC001481746845 1159927669 /nfs/dbraw/zinc/92/76/69/1159927669.db2.gz JJODQHBLERYKET-LSDHHAIUSA-N 2 0 299.459 1.286 10 0 CDAERP CC[C@@H](C(=O)NC/C=C/C[NH2+]CC1CCC1)[NH+](C)C ZINC001268593440 1159989800 /nfs/dbraw/zinc/98/98/00/1159989800.db2.gz XPAYYUWHDAFXRN-GJBLVYBDSA-N 2 0 267.417 1.389 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001270128476 1160092095 /nfs/dbraw/zinc/09/20/95/1160092095.db2.gz HJJGPYVHAIJEFR-UKRRQHHQSA-N 2 0 299.434 1.657 10 0 CDAERP C([C@H]1CCCO1)[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CCCC1 ZINC000662258417 482208294 /nfs/dbraw/zinc/20/82/94/482208294.db2.gz XDRGHQZQPVUEJN-HZPDHXFCSA-N 2 0 294.439 1.931 10 0 CDAERP CC[NH+](CC)CCC[C@H](C)NC(=O)CC1([NH3+])CC1 ZINC000398031143 482216796 /nfs/dbraw/zinc/21/67/96/482216796.db2.gz CXVQHNCROKUMPN-LBPRGKRZSA-N 2 0 255.406 1.495 10 0 CDAERP COC[C@H](CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1)OC ZINC000668448410 482441794 /nfs/dbraw/zinc/44/17/94/482441794.db2.gz CZOMAFDWLBFMAJ-INIZCTEOSA-N 2 0 293.411 1.692 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000227394570 482452918 /nfs/dbraw/zinc/45/29/18/482452918.db2.gz QQBIFWNAFDGFED-FQUUOJAGSA-N 2 0 265.401 1.104 10 0 CDAERP CC[N@H+](CC(=O)N(C)C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652337247 482462731 /nfs/dbraw/zinc/46/27/31/482462731.db2.gz YEJOTHWKTSDQLT-UHFFFAOYSA-N 2 0 275.396 1.242 10 0 CDAERP [NH3+]C[C@H](C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(F)cc1 ZINC000358854452 482479526 /nfs/dbraw/zinc/47/95/26/482479526.db2.gz KCZHVWXXBJNUFO-MCIONIFRSA-N 2 0 279.359 1.254 10 0 CDAERP CCN(C(=O)Nc1ccncc1C)[C@@H]1CC[N@H+](CC)C1 ZINC000666493973 482483124 /nfs/dbraw/zinc/48/31/24/482483124.db2.gz PWYVAIICQCVOEG-CYBMUJFWSA-N 2 0 276.384 1.760 10 0 CDAERP [NH3+]CC1(O)CC[NH+](C[C@@H]2CCCCC2(F)F)CC1 ZINC000397037730 482498053 /nfs/dbraw/zinc/49/80/53/482498053.db2.gz OYVNMLASGUIBHA-NSHDSACASA-N 2 0 262.344 1.598 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C1CCC([NH3+])CC1 ZINC000092629538 482629931 /nfs/dbraw/zinc/62/99/31/482629931.db2.gz GBDHGTXXYGDPPD-JXQTWKCFSA-N 2 0 267.417 1.447 10 0 CDAERP CO[C@H]1CCC[C@@H]([NH2+]CCCC[NH+]2CCOCC2)C1 ZINC000684369999 482777054 /nfs/dbraw/zinc/77/70/54/482777054.db2.gz HTYDAMKWSFWQKP-CABCVRRESA-N 2 0 270.417 1.646 10 0 CDAERP CO[C@@H]1CCC[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000684383529 482784177 /nfs/dbraw/zinc/78/41/77/482784177.db2.gz BYCLFASRPWBUOD-YVSFHVDLSA-N 2 0 296.455 1.911 10 0 CDAERP CC(C)C[C@@H]([NH3+])CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000666614302 482816828 /nfs/dbraw/zinc/81/68/28/482816828.db2.gz XTTUDKSULJFCKD-HUUCEWRRSA-N 2 0 269.433 1.156 10 0 CDAERP C[C@@H]1CC[C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)CS1 ZINC000655715800 482817959 /nfs/dbraw/zinc/81/79/59/482817959.db2.gz NTCACADRQNFPGP-VXGBXAGGSA-N 2 0 258.431 1.317 10 0 CDAERP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@](C)(O)CO ZINC000684535432 482870549 /nfs/dbraw/zinc/87/05/49/482870549.db2.gz MIINYQBQRDHHNR-KRWDZBQOSA-N 2 0 294.439 1.478 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000674011966 482923119 /nfs/dbraw/zinc/92/31/19/482923119.db2.gz YJBDXFXGHSOWKA-GJZGRUSLSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000666879634 482960049 /nfs/dbraw/zinc/96/00/49/482960049.db2.gz MQLHHHFIMRQUBM-RHSMWYFYSA-N 3 0 291.439 1.715 10 0 CDAERP C[NH+](C)C[C@H](NC(=O)[C@@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000250346394 483016534 /nfs/dbraw/zinc/01/65/34/483016534.db2.gz GTSTUBCROJLFIL-XHSDSOJGSA-N 2 0 289.423 1.781 10 0 CDAERP COc1cc(C)nc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c1 ZINC000666954017 483017963 /nfs/dbraw/zinc/01/79/63/483017963.db2.gz NSZQMZAQZGSXIO-CQSZACIVSA-N 2 0 261.369 1.630 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000251319186 483039923 /nfs/dbraw/zinc/03/99/23/483039923.db2.gz LVPCTNYJLOVVDG-STQMWFEESA-N 2 0 253.390 1.057 10 0 CDAERP CN(C(=O)[C@H]1CCc2nc[nH]c2C1)C1CC[NH+](C)CC1 ZINC000220516324 483251737 /nfs/dbraw/zinc/25/17/37/483251737.db2.gz CMTMEPMBJMSYSC-NSHDSACASA-N 2 0 276.384 1.067 10 0 CDAERP Cn1cncc1CCC[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000314562917 483300657 /nfs/dbraw/zinc/30/06/57/483300657.db2.gz MAYSEDMHKULXHS-CYBMUJFWSA-N 2 0 250.390 1.427 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CO[C@@H](C3CC3)C2)[C@H](C)C1 ZINC000667877034 483469009 /nfs/dbraw/zinc/46/90/09/483469009.db2.gz BUGPIVICTHTZNU-UQOMUDLDSA-N 2 0 252.402 1.874 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CCCC[NH+]2C2CC2)C1 ZINC000683387496 483503321 /nfs/dbraw/zinc/50/33/21/483503321.db2.gz YWMBXJVGIUHDKR-HIFRSBDPSA-N 2 0 294.443 1.397 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CCC1CC1)C1CC1 ZINC001483580845 1160950121 /nfs/dbraw/zinc/95/01/21/1160950121.db2.gz GZOBDLYIQLGZCB-HOTGVXAUSA-N 2 0 293.455 1.755 10 0 CDAERP CCOCCC[NH2+]CCN1CCC[C@H]1C[NH+](C)C ZINC000061655087 519896859 /nfs/dbraw/zinc/89/68/59/519896859.db2.gz FIFTXMNOHKYUSJ-AWEZNQCLSA-N 2 0 257.422 1.029 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@H](C[NH+]2CCC(COC)CC2)O1 ZINC000070082804 519927107 /nfs/dbraw/zinc/92/71/07/519927107.db2.gz MZCJOQXUMOYSDW-JKSUJKDBSA-N 2 0 284.444 1.892 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@@H](C[N@@H+]2CCOC(C)(C)C2)O1 ZINC000052481889 519937761 /nfs/dbraw/zinc/93/77/61/519937761.db2.gz KGIYLCRCAMTLLB-KGLIPLIRSA-N 2 0 270.417 1.644 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)NCC[NH+]1CCC(C)CC1 ZINC000061273543 520064035 /nfs/dbraw/zinc/06/40/35/520064035.db2.gz SUSIDAJQKLZZMP-ZDUSSCGKSA-N 2 0 255.406 1.223 10 0 CDAERP C[NH+]1CCC2(CCN2C(=O)NC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001649310062 1161193890 /nfs/dbraw/zinc/19/38/90/1161193890.db2.gz WDMDJUSNFHZGPG-AWEZNQCLSA-N 2 0 294.443 1.350 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001483929772 1161241247 /nfs/dbraw/zinc/24/12/47/1161241247.db2.gz OHQUTHHHWALVKI-GJZGRUSLSA-N 2 0 279.428 1.319 10 0 CDAERP CC1CC[NH+](CCCCNC(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000236697512 521002241 /nfs/dbraw/zinc/00/22/41/521002241.db2.gz BNCBFHAYULBBLQ-LSDHHAIUSA-N 2 0 281.444 1.742 10 0 CDAERP CCCC[C@@](CC)(C[NH3+])N1CCN(CC[NH+](C)C)CC1 ZINC000069380901 521121240 /nfs/dbraw/zinc/12/12/40/521121240.db2.gz ZUPLFDBPDYIYRX-INIZCTEOSA-N 2 0 284.492 1.463 10 0 CDAERP C[N@H+](CC1CCC(O)CC1)C[C@H]1CCC[NH+](C)C1 ZINC000258959690 1179162857 /nfs/dbraw/zinc/16/28/57/1179162857.db2.gz RQRUVXYDTQRRDN-SLTAFYQDSA-N 2 0 254.418 1.811 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001716471453 1180232610 /nfs/dbraw/zinc/23/26/10/1180232610.db2.gz BDGLKEFWVKITQK-KBPBESRZSA-N 2 0 267.417 1.483 10 0 CDAERP CC[C@@H](C)[NH+]1CCN([C@@H](C[NH3+])c2ccco2)CC1 ZINC000055063987 522128001 /nfs/dbraw/zinc/12/80/01/522128001.db2.gz XKFSSELOSZBKPA-OLZOCXBDSA-N 2 0 251.374 1.696 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CC1=CCCCC1 ZINC001725179547 1181909077 /nfs/dbraw/zinc/90/90/77/1181909077.db2.gz SJDOETDKVSLNNI-CQSZACIVSA-N 2 0 281.444 1.875 10 0 CDAERP C[C@H](C[NH2+]CCCF)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001732438217 1182967142 /nfs/dbraw/zinc/96/71/42/1182967142.db2.gz VCUMPCLFHUHHEB-GFCCVEGCSA-N 2 0 273.396 1.124 10 0 CDAERP CC(C)[NH+](CCNC(=O)[C@H]1C[C@@H]([NH3+])CC[C@@H]1C)C(C)C ZINC000055125035 519648000 /nfs/dbraw/zinc/64/80/00/519648000.db2.gz RJNGUAHAMVLBNE-KKUMJFAQSA-N 2 0 283.460 1.985 10 0 CDAERP CC(C)[NH+]1CCC([NH2+]CCCn2ccnn2)CC1 ZINC000126525247 519672680 /nfs/dbraw/zinc/67/26/80/519672680.db2.gz RWQDXDKXJFNPBO-UHFFFAOYSA-N 2 0 251.378 1.131 10 0 CDAERP CC(C)C[NH2+]CC1(CN2CCC[N@H+](C)CC2)CCOCC1 ZINC000052181080 519742860 /nfs/dbraw/zinc/74/28/60/519742860.db2.gz UBMPACDCDYDTJE-UHFFFAOYSA-N 2 0 297.487 1.666 10 0 CDAERP CC(C)C[NH2+]Cc1cc(COCC[NH+](C)C)on1 ZINC000052669648 519746747 /nfs/dbraw/zinc/74/67/47/519746747.db2.gz AJIBDBZYVGFEEH-UHFFFAOYSA-N 2 0 255.362 1.498 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)C[C@@H]1CCCC[NH2+]1 ZINC000049225464 519793089 /nfs/dbraw/zinc/79/30/89/519793089.db2.gz BSTDESMZMLOJBC-QWHCGFSZSA-N 2 0 255.406 1.221 10 0 CDAERP CC(C)[C@@H]1CC[C@H]([NH3+])[C@H](C[N@H+](CCO)C2CC2)C1 ZINC000054560551 519803313 /nfs/dbraw/zinc/80/33/13/519803313.db2.gz BARLKGLLGDNSOP-IPYPFGDCSA-N 2 0 254.418 1.843 10 0 CDAERP CCC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]CCN(C)CCOC)C1 ZINC000061376303 519853812 /nfs/dbraw/zinc/85/38/12/519853812.db2.gz XNCZWMABFSVMNJ-CVEARBPZSA-N 2 0 285.476 1.665 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000061296517 519903980 /nfs/dbraw/zinc/90/39/80/519903980.db2.gz GWZIEGZJNNBBMF-ZDUSSCGKSA-N 2 0 267.417 1.461 10 0 CDAERP CCC[NH2+]CC1(C[N@@H+]2CCC[C@H](O)C2)CCOCC1 ZINC000052197479 519911410 /nfs/dbraw/zinc/91/14/10/519911410.db2.gz GAFMWBAIVAUFOP-AWEZNQCLSA-N 2 0 270.417 1.240 10 0 CDAERP CC[NH2+]CC1(C[NH+]2CCC(C[NH+](C)C)CC2)CCOCC1 ZINC000052182718 519912920 /nfs/dbraw/zinc/91/29/20/519912920.db2.gz IGDLUJWFUMBYAY-UHFFFAOYSA-N 3 0 297.487 1.666 10 0 CDAERP CC[NH2+]C[C@]1(CN2CC[NH+]([C@@H](C)CC)CC2)CCOC1 ZINC000055071773 519983856 /nfs/dbraw/zinc/98/38/56/519983856.db2.gz BWEDTPZQCWUGNT-HOTGVXAUSA-N 2 0 283.460 1.419 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000061273041 520062222 /nfs/dbraw/zinc/06/22/22/520062222.db2.gz LQKCYTSDCATOMJ-ZDUSSCGKSA-N 2 0 267.417 1.461 10 0 CDAERP CCCCCC[C@@](C)(C[NH3+])N1CCN(CC[NH+](C)C)CC1 ZINC000061643214 520122996 /nfs/dbraw/zinc/12/29/96/520122996.db2.gz HRMCWMXCAUSXEY-KRWDZBQOSA-N 2 0 298.519 1.853 10 0 CDAERP CCOC[C@H](O)C[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000069277585 520158503 /nfs/dbraw/zinc/15/85/03/520158503.db2.gz LNCNMKJPNHHKOC-OAHLLOKOSA-N 2 0 272.433 1.628 10 0 CDAERP CCO[C@H](C[NH3+])CC[N@H+](CCN(C)C)CC(C)C ZINC000062741182 520516439 /nfs/dbraw/zinc/51/64/39/520516439.db2.gz XTVUVBQMSFHKKY-AWEZNQCLSA-N 2 0 259.438 1.260 10 0 CDAERP CCC[C@@H]([NH2+]C)[C@@H](CC)N1CCN(CC[NH+](C)C)CC1 ZINC000061643994 520768594 /nfs/dbraw/zinc/76/85/94/520768594.db2.gz MISMKVGADYEVDS-HZPDHXFCSA-N 2 0 284.492 1.332 10 0 CDAERP CCC[C@@]1(C(=O)NC2CC[NH+](C(C)C)CC2)CC[NH2+]C1 ZINC000062893338 520942411 /nfs/dbraw/zinc/94/24/11/520942411.db2.gz OHIWKCBUEUEVAM-MRXNPFEDSA-N 2 0 281.444 1.755 10 0 CDAERP CCOC(=O)[C@@](C)(N)C[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000068632217 521156741 /nfs/dbraw/zinc/15/67/41/521156741.db2.gz VGDDTIWRLIRAPI-BBRMVZONSA-N 2 0 299.459 1.319 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@H](C)[C@@H]2[NH3+])CC1 ZINC000055129379 521555683 /nfs/dbraw/zinc/55/56/83/521555683.db2.gz OCKSXKVXNFRMPR-CFVMTHIKSA-N 2 0 281.444 1.693 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)CC2CCC([NH3+])CC2)C1 ZINC000055136922 521643687 /nfs/dbraw/zinc/64/36/87/521643687.db2.gz VYMXHDMCGJVXGH-RUXDESIVSA-N 2 0 267.417 1.495 10 0 CDAERP CCCN(CC[NH+](C)C)[C@H](c1cnn(C)c1)[C@@H](C)[NH3+] ZINC000045663587 521658532 /nfs/dbraw/zinc/65/85/32/521658532.db2.gz BEDQTXNPPNPOOL-OCCSQVGLSA-N 2 0 267.421 1.082 10 0 CDAERP C[NH+](C)CCN1CC[NH+](CCNc2ccccc2)CC1 ZINC000061652504 521765822 /nfs/dbraw/zinc/76/58/22/521765822.db2.gz LNVCAHAWVVPHHC-UHFFFAOYSA-N 2 0 276.428 1.278 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)COc1ccc(C[NH3+])cc1 ZINC000061642262 521827528 /nfs/dbraw/zinc/82/75/28/521827528.db2.gz FMYAFKUWMKKHEC-AWEZNQCLSA-N 2 0 291.395 1.077 10 0 CDAERP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055077993 521828423 /nfs/dbraw/zinc/82/84/23/521828423.db2.gz XXZZGAUARDMGFD-RWMBFGLXSA-N 2 0 255.406 1.303 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000061656219 521832941 /nfs/dbraw/zinc/83/29/41/521832941.db2.gz GUWSHVXEGDPXCW-XQQFMLRXSA-N 2 0 253.390 1.057 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1Cc1cc(C[NH3+])ccc1F ZINC000061642643 521836853 /nfs/dbraw/zinc/83/68/53/521836853.db2.gz ALMKODQMGYQGFD-AWEZNQCLSA-N 2 0 265.376 1.810 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1c1ncc(C[NH3+])cc1Cl ZINC000061654337 521875925 /nfs/dbraw/zinc/87/59/25/521875925.db2.gz GCQNYMYKKYPQAI-LLVKDONJSA-N 2 0 268.792 1.724 10 0 CDAERP C[NH2+]C(C)(C)C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000061318239 521936934 /nfs/dbraw/zinc/93/69/34/521936934.db2.gz XQHMUDKZBZFRGN-WFASDCNBSA-N 2 0 269.433 1.611 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000055088206 522112521 /nfs/dbraw/zinc/11/25/21/522112521.db2.gz SINYQVIXNCXIDJ-RDBSUJKOSA-N 2 0 267.417 1.447 10 0 CDAERP CC[C@H](CC[NH3+])N1CCC[N@H+](CCn2ccnc2C)CC1 ZINC000049329621 522127765 /nfs/dbraw/zinc/12/77/65/522127765.db2.gz KJLQPZIGBOWSEH-MRXNPFEDSA-N 2 0 293.459 1.327 10 0 CDAERP C[NH2+]Cc1cccc(OCCN2CC[NH+](C)CC2)c1 ZINC000052379386 522134880 /nfs/dbraw/zinc/13/48/80/522134880.db2.gz DVPVCLGEUQUFHU-UHFFFAOYSA-N 2 0 263.385 1.032 10 0 CDAERP CC[C@H](C[NH2+]CC(C)C)N1CCN(CC[NH+](C)C)CC1 ZINC000061654997 522193938 /nfs/dbraw/zinc/19/39/38/522193938.db2.gz VRSFPKBEJGLALB-MRXNPFEDSA-N 2 0 284.492 1.190 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCCn1cnc2ccccc21 ZINC000234717505 522287963 /nfs/dbraw/zinc/28/79/63/522287963.db2.gz XURGEMZNMJILNR-CQSZACIVSA-N 2 0 290.411 1.770 10 0 CDAERP C[NH2+][C@@H](C)c1cnc(N(C)C2CC[NH+](C)CC2)s1 ZINC000054899507 522338288 /nfs/dbraw/zinc/33/82/88/522338288.db2.gz AENVVGGWQVBIOK-JTQLQIEISA-N 2 0 268.430 1.954 10 0 CDAERP CC[C@H]([NH3+])[C@@H](c1ccco1)N1CCN(CC[NH+](C)C)CC1 ZINC000061642380 522342082 /nfs/dbraw/zinc/34/20/82/522342082.db2.gz KFSKVTQKAZFIKN-HOCLYGCPSA-N 2 0 294.443 1.237 10 0 CDAERP COC[C@@](C)(C[NH3+])N1CC[NH+](Cc2ccccc2)CC1 ZINC000053197882 522525008 /nfs/dbraw/zinc/52/50/08/522525008.db2.gz AMVZTHGWQMZFBU-MRXNPFEDSA-N 2 0 277.412 1.168 10 0 CDAERP CC[C@@H]([NH3+])[C@H](c1ccncc1)N1CCC[C@@H]1C[NH+](C)C ZINC000061641987 522653657 /nfs/dbraw/zinc/65/36/57/522653657.db2.gz BWSPJQSBMYQWFC-OAGGEKHMSA-N 2 0 276.428 1.886 10 0 CDAERP COC[C@H](O)C[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000069054199 522802455 /nfs/dbraw/zinc/80/24/55/522802455.db2.gz SQVVSFASMJHJAJ-CQSZACIVSA-N 2 0 258.406 1.238 10 0 CDAERP COCCC[N@H+](CCOC)[C@H](C)CC[NH2+]CC(C)C ZINC000052543333 523258138 /nfs/dbraw/zinc/25/81/38/523258138.db2.gz IUOKEFLGUFXNMP-OAHLLOKOSA-N 2 0 274.449 1.996 10 0 CDAERP COC(=O)[C@@H](C)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063200125 523506904 /nfs/dbraw/zinc/50/69/04/523506904.db2.gz WPQQNOJTENUYNC-WCQYABFASA-N 2 0 254.374 1.260 10 0 CDAERP COCCN(CCC[NH+](C)C)C(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050948001 523692519 /nfs/dbraw/zinc/69/25/19/523692519.db2.gz BIFFPLCFBSCOMG-HNNXBMFYSA-N 2 0 299.459 1.335 10 0 CDAERP CCn1nccc1CC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000338548504 523714121 /nfs/dbraw/zinc/71/41/21/523714121.db2.gz IBORZWYOGRMEDL-UHFFFAOYSA-N 2 0 264.417 1.719 10 0 CDAERP COCC[N@H+](Cc1ccc(C[NH3+])o1)[C@@H](C)C1CC1 ZINC000052545351 523749149 /nfs/dbraw/zinc/74/91/49/523749149.db2.gz IYMSDRWLTJLAFR-NSHDSACASA-N 2 0 252.358 1.985 10 0 CDAERP C[NH+]1CCC(CNC(=O)[C@H]2CCC[C@H](C[NH3+])C2)CC1 ZINC000055162861 523763206 /nfs/dbraw/zinc/76/32/06/523763206.db2.gz UZOHPNGAECQXJI-KBPBESRZSA-N 2 0 267.417 1.210 10 0 CDAERP C[NH+]1CCC(OC[C@@H]2CC[C@@H](C[NH2+]C3CC3)O2)CC1 ZINC000052596884 523781053 /nfs/dbraw/zinc/78/10/53/523781053.db2.gz WUQUFATUZHAAOT-GJZGRUSLSA-N 2 0 268.401 1.397 10 0 CDAERP C[NH+]1CCC(Oc2cccc(F)c2C(N)=[NH2+])CC1 ZINC000062714677 523783247 /nfs/dbraw/zinc/78/32/47/523783247.db2.gz FDTBKGOOAJHAEM-UHFFFAOYSA-N 2 0 251.305 1.583 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000052882984 523797824 /nfs/dbraw/zinc/79/78/24/523797824.db2.gz DGSDOFKUAQWVED-HOCLYGCPSA-N 2 0 275.396 1.461 10 0 CDAERP CC[C@H](C)[NH+]1CCN(c2nnc(C)c(C)c2C(N)=[NH2+])CC1 ZINC000055067212 523961646 /nfs/dbraw/zinc/96/16/46/523961646.db2.gz RQDRFFZTGKTAST-JTQLQIEISA-N 2 0 290.415 1.298 10 0 CDAERP C[NH+](C)CC1CC[NH+](CCC[C@H]2CCC[NH2+]2)CC1 ZINC000052764481 524049560 /nfs/dbraw/zinc/04/95/60/524049560.db2.gz OAOULZULINPTOG-OAHLLOKOSA-N 3 0 253.434 1.792 10 0 CDAERP C[NH+](C)CCCOCCOc1ccc(C[NH3+])cc1 ZINC000052672513 524057394 /nfs/dbraw/zinc/05/73/94/524057394.db2.gz IFYJRLUHDNLALM-UHFFFAOYSA-N 2 0 252.358 1.492 10 0 CDAERP CNC(=O)CCC[N@@H+]1CCC[C@H](C[NH2+]C(C)(C)C)C1 ZINC000068847551 524063635 /nfs/dbraw/zinc/06/36/35/524063635.db2.gz KXQYCDQKBCERHG-CYBMUJFWSA-N 2 0 269.433 1.613 10 0 CDAERP COc1cccc([C@@H]([NH3+])CN2CC[NH+](CC(C)C)CC2)c1 ZINC000055079030 524099261 /nfs/dbraw/zinc/09/92/61/524099261.db2.gz NKCIMCQFMUDBGN-KRWDZBQOSA-N 2 0 291.439 1.969 10 0 CDAERP C[C@@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC000055141101 524301901 /nfs/dbraw/zinc/30/19/01/524301901.db2.gz UIPTWZIOBLXUMG-MGPQQGTHSA-N 2 0 281.444 1.693 10 0 CDAERP C[C@@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000055132639 524392132 /nfs/dbraw/zinc/39/21/32/524392132.db2.gz KCLYWZDBWFZAGN-VNQPRFMTSA-N 2 0 293.455 1.837 10 0 CDAERP C[C@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)NCCCC[NH+](C)C ZINC000055138968 524414167 /nfs/dbraw/zinc/41/41/67/524414167.db2.gz SWZGVOBTMVACJL-AVGNSLFASA-N 2 0 255.406 1.208 10 0 CDAERP C[C@@H](CC[NH+](C)C)[NH2+]C[C@@H](O)c1ccc(F)c(F)c1 ZINC000049557337 524475304 /nfs/dbraw/zinc/47/53/04/524475304.db2.gz SVAQUYHXOVFSTR-IINYFYTJSA-N 2 0 272.339 1.928 10 0 CDAERP C[C@H]1C[C@H]([NH3+])CC[C@@H]1C(=O)NCC[NH+]1CCCCC1 ZINC000055138403 524902816 /nfs/dbraw/zinc/90/28/16/524902816.db2.gz PHPJRJLDANXXJB-MJBXVCDLSA-N 2 0 267.417 1.352 10 0 CDAERP C[C@@H]1C[C@@H](C(=O)N(C)C2CC[NH+](C)CC2)CC[C@@H]1[NH3+] ZINC000055123252 525180469 /nfs/dbraw/zinc/18/04/69/525180469.db2.gz FEDZHIWVORDYNI-DYEKYZERSA-N 2 0 267.417 1.303 10 0 CDAERP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000225233508 526373808 /nfs/dbraw/zinc/37/38/08/526373808.db2.gz KAFGOOHPIFAXSA-WTXIUTQJSA-N 2 0 291.439 1.604 10 0 CDAERP O=C(C[NH+]1CCC2(CCCC2)CC1)N1CCC[NH2+]CC1 ZINC000062954130 526731784 /nfs/dbraw/zinc/73/17/84/526731784.db2.gz RTKILAZLXLVECK-UHFFFAOYSA-N 2 0 279.428 1.465 10 0 CDAERP NC(=[NH2+])c1c(Cl)cccc1N1CC[NH+](C2CC2)CC1 ZINC000052905529 526819734 /nfs/dbraw/zinc/81/97/34/526819734.db2.gz UMQICVKUTWICCI-UHFFFAOYSA-N 2 0 278.787 1.908 10 0 CDAERP NC(=[NH2+])c1cccc(C[N@@H+]2CCC[C@@H]2CCCO)c1 ZINC000052760536 526824264 /nfs/dbraw/zinc/82/42/64/526824264.db2.gz PBSXPOMHMQMYRH-CQSZACIVSA-N 2 0 261.369 1.708 10 0 CDAERP O=C(C[C@@H]1CCCC[NH2+]1)NCC[NH+]1CCCCC1 ZINC000049575575 527109737 /nfs/dbraw/zinc/10/97/37/527109737.db2.gz GIXDWSVEFGYNLP-ZDUSSCGKSA-N 2 0 253.390 1.121 10 0 CDAERP [NH3+]CC1CCC(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000055163039 527165248 /nfs/dbraw/zinc/16/52/48/527165248.db2.gz SZCXCLKYVRPUQP-CVSAEHQPSA-N 2 0 279.428 1.495 10 0 CDAERP [NH3+]C[C@]1(N2CC[NH+](CC3CC3)CC2)CCCSC1 ZINC000061590182 527243961 /nfs/dbraw/zinc/24/39/61/527243961.db2.gz XRILPPOMZDZDBD-CQSZACIVSA-N 2 0 269.458 1.239 10 0 CDAERP [NH3+][C@H]1CCC[C@H](C(=O)NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000188736395 527406708 /nfs/dbraw/zinc/40/67/08/527406708.db2.gz DYJIMKQQTPBCDU-WFASDCNBSA-N 2 0 273.380 1.424 10 0 CDAERP CCCCOC[C@@H](O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000195159554 528616484 /nfs/dbraw/zinc/61/64/84/528616484.db2.gz FUPDGWKMBYNQLD-INIZCTEOSA-N 2 0 286.460 1.828 10 0 CDAERP CCC[C@@](C)([NH3+])C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000251271970 535523949 /nfs/dbraw/zinc/52/39/49/535523949.db2.gz FIMMJWSIHNRZNN-GXTWGEPZSA-N 2 0 253.390 1.201 10 0 CDAERP CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)[C@H](C)[NH3+])CC(C)C ZINC000416943579 535672148 /nfs/dbraw/zinc/67/21/48/535672148.db2.gz CJCKIVSHRWXCNW-IHRRRGAJSA-N 2 0 286.464 1.778 10 0 CDAERP COc1ccc(C[C@H](C)[NH2+]CCCC[NH+](C)C)cn1 ZINC000414071952 536524403 /nfs/dbraw/zinc/52/44/03/536524403.db2.gz LDCDWFIQIFHVNX-ZDUSSCGKSA-N 2 0 265.401 1.953 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000234728791 536596556 /nfs/dbraw/zinc/59/65/56/536596556.db2.gz YUMQPFNVSBOZHK-ZIAGYGMSSA-N 2 0 264.369 1.334 10 0 CDAERP C[NH+](C)Cc1ccc(C[N@H+](C)CC(C)(C)O)cc1 ZINC000769424507 576353407 /nfs/dbraw/zinc/35/34/07/576353407.db2.gz GCNSDVPUUNEFQK-UHFFFAOYSA-N 2 0 250.386 1.951 10 0 CDAERP c1cn(-c2csc(C[N@@H+]3CCC4(C3)OCCO4)c2)cn1 ZINC000753534620 577176278 /nfs/dbraw/zinc/17/62/78/577176278.db2.gz YBUZKAHYQXQWCN-UHFFFAOYSA-N 2 0 291.376 1.883 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[NH+](C)CC)C1 ZINC001689824925 1175275468 /nfs/dbraw/zinc/27/54/68/1175275468.db2.gz AXCAHNFAJUXVIO-AWEZNQCLSA-N 2 0 269.433 1.566 10 0 CDAERP C[C@@H]1C[C@H]1NC(=[NH2+])NCC1([NH+](C)C)CCCCC1 ZINC000864453057 620921823 /nfs/dbraw/zinc/92/18/23/620921823.db2.gz WECKMYODEQNPFM-VXGBXAGGSA-N 2 0 252.406 1.773 10 0 CDAERP CO[C@H]1C[C@@H](C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000872143591 620694959 /nfs/dbraw/zinc/69/49/59/620694959.db2.gz TZHOUBXECQCYKF-YUELXQCFSA-N 2 0 252.402 1.733 10 0 CDAERP CC(=O)NCCC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925518916 617429341 /nfs/dbraw/zinc/42/93/41/617429341.db2.gz PWUJCTYCCHXXEK-HUUCEWRRSA-N 2 0 267.417 1.271 10 0 CDAERP OCC1(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925527978 617455450 /nfs/dbraw/zinc/45/54/50/617455450.db2.gz BRNQIVLDFKBMPB-ZIAGYGMSSA-N 2 0 252.402 1.517 10 0 CDAERP CC(C)[C@@H](CN[C@H]1CC[NH2+]C12CCC2)[NH+]1CCCC1 ZINC000925606341 617548647 /nfs/dbraw/zinc/54/86/47/617548647.db2.gz NISNKAMERXYPGQ-CABCVRRESA-N 2 0 265.445 1.981 10 0 CDAERP COCC[C@](C)(O)C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925614050 617559355 /nfs/dbraw/zinc/55/93/55/617559355.db2.gz WRSVRHCMLHQXAM-OAGGEKHMSA-N 2 0 284.444 1.532 10 0 CDAERP Cc1cnc(CC[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)cn1 ZINC000925686760 617675692 /nfs/dbraw/zinc/67/56/92/617675692.db2.gz YEFXABLURYGSQB-ILXRZTDVSA-N 2 0 274.412 1.694 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC[C@H]1CC(C)(C)CO1 ZINC000925775418 617665580 /nfs/dbraw/zinc/66/55/80/617665580.db2.gz QEQXHLUPUUGBDH-XUXIUFHCSA-N 2 0 270.417 1.534 10 0 CDAERP CC1(C)C[C@@H](NC[C@H]2C[NH2+]CCC2(F)F)C[C@@H]([NH3+])C1 ZINC000925778149 617677099 /nfs/dbraw/zinc/67/70/99/617677099.db2.gz RNJFOYUYASMQLS-UTUOFQBUSA-N 2 0 275.387 1.727 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000925829881 617848436 /nfs/dbraw/zinc/84/84/36/617848436.db2.gz APCLEZOGZOGBFB-LADJIXMOSA-N 2 0 266.307 1.527 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)C1 ZINC000925834107 617860349 /nfs/dbraw/zinc/86/03/49/617860349.db2.gz WCOSVWSOMDOCHQ-POQQGIQPSA-N 2 0 268.401 1.286 10 0 CDAERP C[C@H](C[NH2+][C@@H](C1CCC1)[C@H]1CCOC1)C[NH+](C)C ZINC000926472563 617861237 /nfs/dbraw/zinc/86/12/37/617861237.db2.gz KLTZRGXDMQRFCP-SNPRPXQTSA-N 2 0 254.418 1.979 10 0 CDAERP CN(C)[C@H](CC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)C(F)(F)F ZINC000925837086 617867316 /nfs/dbraw/zinc/86/73/16/617867316.db2.gz NNPZSKSUYGFQKI-GMTAPVOTSA-N 2 0 279.350 1.729 10 0 CDAERP C[C@@H]1C[C@H](NC[C@]23CCC[C@H]2[NH2+]CC3)CC[N@@H+]1C ZINC000925840406 617871282 /nfs/dbraw/zinc/87/12/82/617871282.db2.gz AAOYFNXEMXMMGR-KBUPBQIOSA-N 2 0 251.418 1.591 10 0 CDAERP COCC[C@H]1CCC[C@@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925845723 617880337 /nfs/dbraw/zinc/88/03/37/617880337.db2.gz IEHHODWTTGPNAR-SJORKVTESA-N 2 0 297.487 1.857 10 0 CDAERP O=C1O[C@@H](C[NH2+]C2CCCCCC2)CC12CC[NH2+]CC2 ZINC000925855732 617894876 /nfs/dbraw/zinc/89/48/76/617894876.db2.gz OJJBFVRQONDUGO-CQSZACIVSA-N 2 0 280.412 1.984 10 0 CDAERP CCOCC[C@@H](O)C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000923426836 618332051 /nfs/dbraw/zinc/33/20/51/618332051.db2.gz HCQAPNPPKMEZGD-HUUCEWRRSA-N 2 0 270.417 1.240 10 0 CDAERP CCOCC[C@@H](O)C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000923426834 618333824 /nfs/dbraw/zinc/33/38/24/618333824.db2.gz HCQAPNPPKMEZGD-CABCVRRESA-N 2 0 270.417 1.240 10 0 CDAERP C[C@H](C[NH2+][C@@H](C)c1ccns1)CN1CC[NH+](C)CC1 ZINC000924947567 618367202 /nfs/dbraw/zinc/36/72/02/618367202.db2.gz DEINPLVSWADFQI-OLZOCXBDSA-N 2 0 282.457 1.677 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CC[NH+]1C(C)(C)C ZINC000895740261 619818645 /nfs/dbraw/zinc/81/86/45/619818645.db2.gz OYORUVTXFOJDTN-ZIAGYGMSSA-N 2 0 281.444 1.850 10 0 CDAERP C[C@H]1CC2(CC([NH2+]CCN3CCC([NH+](C)C)CC3)C2)CO1 ZINC000925217586 620565152 /nfs/dbraw/zinc/56/51/52/620565152.db2.gz ZZZOMEXZTUMLJU-UQPPLGOBSA-N 2 0 295.471 1.560 10 0 CDAERP C[C@H]1[C@@H](NC(=O)N(C)CC2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000925330219 621571556 /nfs/dbraw/zinc/57/15/56/621571556.db2.gz SSBVKMVYIDURMI-JSGCOSHPSA-N 2 0 282.432 1.062 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)NCC2(C)CC[NH+](C)CC2)CC[N@@H+]1C ZINC000925332028 621577504 /nfs/dbraw/zinc/57/75/04/621577504.db2.gz MTRNGKQJHHVZEQ-OLZOCXBDSA-N 2 0 282.432 1.110 10 0 CDAERP CC(C)[C@H](C[NH2+][C@@H](C)C(C)(C)CO)N1CC[NH+](C)CC1 ZINC000924631707 621611020 /nfs/dbraw/zinc/61/10/20/621611020.db2.gz OJFQUZYDAKYOGS-GJZGRUSLSA-N 2 0 285.476 1.255 10 0 CDAERP CCN1CC[NH+](CCCC[NH2+]C2[C@@H](C)COC[C@@H]2C)CC1 ZINC000924660070 621638547 /nfs/dbraw/zinc/63/85/47/621638547.db2.gz NIOINHOMOXWSDT-HOTGVXAUSA-N 2 0 297.487 1.665 10 0 CDAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCOC23CCOCC3)C1 ZINC000924706937 621681447 /nfs/dbraw/zinc/68/14/47/621681447.db2.gz RWRXAERVZKIETG-KBPBESRZSA-N 2 0 268.401 1.256 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000900694561 623353340 /nfs/dbraw/zinc/35/33/40/623353340.db2.gz IVVNUTSHUKXKFY-KKUMJFAQSA-N 2 0 281.444 1.850 10 0 CDAERP CN(CCCC[NH+](C)C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900768825 623457687 /nfs/dbraw/zinc/45/76/87/623457687.db2.gz IVYRYICJCQADNB-HUUCEWRRSA-N 2 0 281.444 1.804 10 0 CDAERP O=C(NC1CC[NH+](C2CCCC2)CC1)C12CC[NH+](CC1)C2 ZINC000900953954 623678677 /nfs/dbraw/zinc/67/86/77/623678677.db2.gz DTPUDDWPDHVZGP-UHFFFAOYSA-N 2 0 291.439 1.605 10 0 CDAERP C1CC1[C@H]1COC[C@@H]1[NH2+][C@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000902516040 624913130 /nfs/dbraw/zinc/91/31/30/624913130.db2.gz CBRMYZUBWSXOHJ-YXMSTPNBSA-N 2 0 280.412 1.158 10 0 CDAERP COc1ccc(C[N@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)cc1OC ZINC000903425933 625988991 /nfs/dbraw/zinc/98/89/91/625988991.db2.gz AXXXCDJXWGOYIM-OCCSQVGLSA-N 2 0 278.396 1.991 10 0 CDAERP CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903434330 625991022 /nfs/dbraw/zinc/99/10/22/625991022.db2.gz CFUTWWJTROAWTM-UGUYLWEFSA-N 2 0 295.471 1.859 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)CCN(C)c1ccccc1 ZINC000903444087 625997818 /nfs/dbraw/zinc/99/78/18/625997818.db2.gz PHIXMMYFYOGCEG-CABCVRRESA-N 2 0 261.413 1.910 10 0 CDAERP [NH3+][C@@H]1CN(CCCC2CC[NH2+]CC2)CC[C@H]1C(F)(F)F ZINC000903538952 626016020 /nfs/dbraw/zinc/01/60/20/626016020.db2.gz FVTGYCAMWFJHGG-CHWSQXEVSA-N 2 0 293.377 1.978 10 0 CDAERP C([C@@H]1C[C@@H]2COC[C@@H]2O1)[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903784076 626093151 /nfs/dbraw/zinc/09/31/51/626093151.db2.gz KRKFYHWNYQXQST-FXUDXRNXSA-N 2 0 280.412 1.256 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@H+](C)CC2CCCC2)cnn1C ZINC000903888937 626123655 /nfs/dbraw/zinc/12/36/55/626123655.db2.gz NEUOAVLIUJJABA-OAHLLOKOSA-N 2 0 278.444 1.968 10 0 CDAERP O=C1NCCN1C1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903872095 626126856 /nfs/dbraw/zinc/12/68/56/626126856.db2.gz CWGHGSFKQOCROT-AGUYFDCRSA-N 2 0 292.427 1.007 10 0 CDAERP C[N@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)CC(C)(C)C ZINC000903886190 626133390 /nfs/dbraw/zinc/13/33/90/626133390.db2.gz NMUHNWJKIQMQND-GFCCVEGCSA-N 2 0 265.405 1.681 10 0 CDAERP c1nnn([C@H]2CCC[NH2+]C2)c1C[NH+](CC1CC1)CC1CC1 ZINC000903894963 626136002 /nfs/dbraw/zinc/13/60/02/626136002.db2.gz IVWRJEZLHLFYFD-HNNXBMFYSA-N 2 0 289.427 1.825 10 0 CDAERP COC(=O)[C@H](C)C[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000903902518 626139842 /nfs/dbraw/zinc/13/98/42/626139842.db2.gz IMARQMHKDDYFFM-RLAWYHOSSA-N 2 0 280.412 1.791 10 0 CDAERP CCC(CC)[C@@H](O)C[NH2+]C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903922654 626147388 /nfs/dbraw/zinc/14/73/88/626147388.db2.gz BJIFZSIIKPKSOU-CJNGLKHVSA-N 2 0 296.459 1.233 10 0 CDAERP COC(=O)[C@@]1(C)C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1C ZINC000903933982 626152786 /nfs/dbraw/zinc/15/27/86/626152786.db2.gz CUQXJSAHXHQZKS-DUCPWMDDSA-N 2 0 280.412 1.648 10 0 CDAERP C[C@@H]1CN(C[C@]2(C)CC[NH2+]C2)CCN1c1cc[nH+]cc1 ZINC000903937073 626155358 /nfs/dbraw/zinc/15/53/58/626155358.db2.gz AXLGDAJIBRUHEK-GDBMZVCRSA-N 2 0 274.412 1.592 10 0 CDAERP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903957315 626158460 /nfs/dbraw/zinc/15/84/60/626158460.db2.gz PSNUQTNJRBAHFU-HYWTVENDSA-N 3 0 273.371 1.351 10 0 CDAERP COC[C@H]([NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1)[C@H]1CCCOC1 ZINC000903960075 626159844 /nfs/dbraw/zinc/15/98/44/626159844.db2.gz WMXXBFFCSDWSAU-XGUBFFRZSA-N 2 0 270.417 1.406 10 0 CDAERP c1cc(N2CC[NH2+]CC2)oc1CN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000904302641 626243147 /nfs/dbraw/zinc/24/31/47/626243147.db2.gz XQCWIAKMLRFQOO-CQSZACIVSA-N 2 0 290.411 1.016 10 0 CDAERP CC[C@@H](CNC(=[NH2+])NC[C@H]1CCCS1)[NH+]1CCCC1 ZINC000905041536 626380916 /nfs/dbraw/zinc/38/09/16/626380916.db2.gz JRXBVXFIAVGAMK-QWHCGFSZSA-N 2 0 284.473 1.870 10 0 CDAERP C[NH+](C)C1(CNC(=[NH2+])NC[C@@H]2CCCS2)CCCC1 ZINC000905041531 626380966 /nfs/dbraw/zinc/38/09/66/626380966.db2.gz JOZYBTHAAAFOTD-LBPRGKRZSA-N 2 0 284.473 1.870 10 0 CDAERP Cc1cc(C[NH3+])oc1-c1nc(CC2CC[NH2+]CC2)no1 ZINC000905308590 626758152 /nfs/dbraw/zinc/75/81/52/626758152.db2.gz NISHFHDBNBACJV-UHFFFAOYSA-N 2 0 276.340 1.639 10 0 CDAERP CN(C(=O)[C@H]1CCCCCC[C@@H]1[NH3+])c1cc(C[NH3+])ccn1 ZINC000906228957 627157836 /nfs/dbraw/zinc/15/78/36/627157836.db2.gz KVHBFWFJXABKJQ-KBPBESRZSA-N 2 0 290.411 1.801 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000907874386 627891364 /nfs/dbraw/zinc/89/13/64/627891364.db2.gz GQHNCVLPOCSCLN-RBSFLKMASA-N 2 0 281.444 1.850 10 0 CDAERP C[N@H+](CC(=O)N[C@]1(C)C[NH+]2CCC1CC2)CC(C)(C)C ZINC000912374111 629971236 /nfs/dbraw/zinc/97/12/36/629971236.db2.gz KLFATLDUEKUYII-MRXNPFEDSA-N 2 0 281.444 1.565 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@]2(C)C[NH+]3CCC2CC3)C1 ZINC000912374823 629971385 /nfs/dbraw/zinc/97/13/85/629971385.db2.gz DDBNULLRAHIJOI-WMLDXEAASA-N 2 0 293.455 1.709 10 0 CDAERP CC[C@@H](C(=O)N[C@@H]1C[C@@H]([NH+](C)C)C12CCC2)[NH+](C)C ZINC000912600120 630084779 /nfs/dbraw/zinc/08/47/79/630084779.db2.gz CAKOALGWCZUACS-YNEHKIRRSA-N 2 0 267.417 1.316 10 0 CDAERP C[NH+]1C[C@]2(C)CN(C(=O)[C@H]3CCC[N@@H+]3C3CC3)C[C@@]2(C)C1 ZINC000913278969 630422615 /nfs/dbraw/zinc/42/26/15/630422615.db2.gz NNRFNMUITXCPDT-DJIMGWMZSA-N 2 0 291.439 1.413 10 0 CDAERP CC(C)[C@H](C(=O)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1)[NH+](C)C ZINC000913281704 630432271 /nfs/dbraw/zinc/43/22/71/630432271.db2.gz BYABBJGDKYOHON-BMFZPTHFSA-N 2 0 281.444 1.373 10 0 CDAERP C[N@H+](CCC(=O)N1[C@@H]2CC[C@H]1C[NH+](C)C2)C1CCCCC1 ZINC000913535703 630529683 /nfs/dbraw/zinc/52/96/83/630529683.db2.gz SUKGSZRWNWXBNZ-IYBDPMFKSA-N 2 0 293.455 1.946 10 0 CDAERP CC[NH+](CC)CCCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000913852082 630839377 /nfs/dbraw/zinc/83/93/77/630839377.db2.gz FBCCJEHQXWAFJL-STQMWFEESA-N 2 0 270.421 1.110 10 0 CDAERP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)C1 ZINC000929788717 630997226 /nfs/dbraw/zinc/99/72/26/630997226.db2.gz BJGFJXZFIZAPNN-XGUBFFRZSA-N 2 0 268.401 1.064 10 0 CDAERP C[C@@H]1[C@H](NC(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)CC[N@@H+]1C ZINC000914218578 631267065 /nfs/dbraw/zinc/26/70/65/631267065.db2.gz DNPCTSNXIJKYLX-MQYQWHSLSA-N 2 0 280.416 1.005 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001671347624 1158672763 /nfs/dbraw/zinc/67/27/63/1158672763.db2.gz YNNPOHKXUSJQQA-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001266732592 1158793845 /nfs/dbraw/zinc/79/38/45/1158793845.db2.gz IJQOQSPZKHTAIO-OKILXGFUSA-N 2 0 267.417 1.509 10 0 CDAERP C[C@H]1CC[C@@H](C[NH2+]CCN(C)C(=O)C[N@H+](C)C2CCC2)O1 ZINC001691347787 1159029253 /nfs/dbraw/zinc/02/92/53/1159029253.db2.gz KLNCNRKKQSSDBA-ZFWWWQNUSA-N 2 0 297.443 1.086 10 0 CDAERP CCCC[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001691354413 1159032193 /nfs/dbraw/zinc/03/21/93/1159032193.db2.gz QZMILBXBKPXHLG-ZDUSSCGKSA-N 2 0 257.422 1.421 10 0 CDAERP CCCC[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001266994149 1159073524 /nfs/dbraw/zinc/07/35/24/1159073524.db2.gz JVBZGDQEEBHGNJ-ZIAGYGMSSA-N 2 0 269.433 1.755 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CCCF ZINC001266944061 1159004605 /nfs/dbraw/zinc/00/46/05/1159004605.db2.gz FPHSCJGPDIWFPI-UKRRQHHQSA-N 2 0 299.434 1.847 10 0 CDAERP CC(C)C[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001691365297 1159040716 /nfs/dbraw/zinc/04/07/16/1159040716.db2.gz WEHSDRPSTOHGJD-CYBMUJFWSA-N 2 0 255.406 1.175 10 0 CDAERP CCCC[NH2+][C@H](CC)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001267819512 1159605652 /nfs/dbraw/zinc/60/56/52/1159605652.db2.gz DVTJWRDRPKISCW-UONOGXRCSA-N 2 0 269.433 1.613 10 0 CDAERP CCCCC[NH2+]CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001713648060 1159754451 /nfs/dbraw/zinc/75/44/51/1159754451.db2.gz ZAMAPXSKWSFFSR-UHFFFAOYSA-N 2 0 283.460 1.957 10 0 CDAERP Cc1oncc1C[NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001482364174 1160179549 /nfs/dbraw/zinc/17/95/49/1160179549.db2.gz COOOKVGLRDSMKH-LBPRGKRZSA-N 2 0 294.399 1.015 10 0 CDAERP Cc1nocc1CN(C)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001485285232 1161274490 /nfs/dbraw/zinc/27/44/90/1161274490.db2.gz AUIXPIKWLNQHFY-RISCZKNCSA-N 2 0 294.399 1.014 10 0 CDAERP [NH3+]CC(F)(F)Cc1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871800296 1165348234 /nfs/dbraw/zinc/34/82/34/1165348234.db2.gz COPQIAVQNOLDRC-CBLAIPOGSA-N 2 0 272.299 1.204 10 0 CDAERP CC(C)[NH+]1CCC(CC[NH2+]C[C@@H](O)C2CC2)CC1 ZINC000872223252 1165398595 /nfs/dbraw/zinc/39/85/95/1165398595.db2.gz PDQRPPILFSBJKA-OAHLLOKOSA-N 2 0 254.418 1.857 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)N(C)CC2C[NH+](C)C2)C1 ZINC001644630261 1167330735 /nfs/dbraw/zinc/33/07/35/1167330735.db2.gz KNBADMXQLURYNZ-CQSZACIVSA-N 2 0 267.417 1.127 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000353443250 1167331421 /nfs/dbraw/zinc/33/14/21/1167331421.db2.gz YZALRBQWPJVHOI-IHRRRGAJSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)[NH2+]C[C@](C)(NC(=O)CC[NH+](C)C)C1CC1 ZINC001568028123 1169122184 /nfs/dbraw/zinc/12/21/84/1169122184.db2.gz PIVIFFMNSYUVAI-AWEZNQCLSA-N 2 0 255.406 1.221 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CCCF ZINC001568208196 1169178132 /nfs/dbraw/zinc/17/81/32/1169178132.db2.gz MOWQYABNFAKRJQ-KBPBESRZSA-N 2 0 287.423 1.562 10 0 CDAERP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)[C@@H]2C1 ZINC001649358797 1169238052 /nfs/dbraw/zinc/23/80/52/1169238052.db2.gz ITXMZTUOOZRZGK-QMHWVQJVSA-N 2 0 291.439 1.460 10 0 CDAERP O=C(C[NH+]1CCCC1)NC/C=C/C[NH2+]CCC(F)(F)F ZINC001568963892 1169563991 /nfs/dbraw/zinc/56/39/91/1169563991.db2.gz KMGOSHQUIHOZSB-OWOJBTEDSA-N 2 0 293.333 1.297 10 0 CDAERP CCC[NH2+]C[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001569098807 1169644061 /nfs/dbraw/zinc/64/40/61/1169644061.db2.gz GFQGUDKSILCVPS-ZDUSSCGKSA-N 2 0 277.412 1.866 10 0 CDAERP C[C@H](C[N@H+](C)CC1CCC1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001569151726 1169693905 /nfs/dbraw/zinc/69/39/05/1169693905.db2.gz NQWXWKJVKOYZFS-TZMCWYRMSA-N 2 0 267.417 1.175 10 0 CDAERP CC/C=C\CC[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001569418963 1169872361 /nfs/dbraw/zinc/87/23/61/1169872361.db2.gz NCARINNLABEGSY-FOSCPCJNSA-N 2 0 293.455 1.923 10 0 CDAERP C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C[NH2+]CCCF ZINC001569847661 1170016178 /nfs/dbraw/zinc/01/61/78/1170016178.db2.gz WIYSGNVQNVCWJT-ZFWWWQNUSA-N 2 0 299.434 1.372 10 0 CDAERP CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001570004513 1170057184 /nfs/dbraw/zinc/05/71/84/1170057184.db2.gz KCTXPWWWLWCREE-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001570018984 1170059649 /nfs/dbraw/zinc/05/96/49/1170059649.db2.gz LNFJTADAYMSUGS-HOTGVXAUSA-N 2 0 295.471 1.812 10 0 CDAERP CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001656453974 1171826782 /nfs/dbraw/zinc/82/67/82/1171826782.db2.gz PQNMXTRRENHKGL-LSDHHAIUSA-N 2 0 293.455 1.709 10 0 CDAERP CC/C=C\CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001661690447 1172427045 /nfs/dbraw/zinc/42/70/45/1172427045.db2.gz OUSVVNJTRDGRAS-SRLDXXQCSA-N 2 0 281.444 1.920 10 0 CDAERP CC(C)CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001662492793 1172553968 /nfs/dbraw/zinc/55/39/68/1172553968.db2.gz RPAHBTPIVQKEEX-OWCLPIDISA-N 2 0 295.471 1.953 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)CC[NH2+]Cc1cc(C)ns1 ZINC001664324633 1172840501 /nfs/dbraw/zinc/84/05/01/1172840501.db2.gz QXEQUWVVXMWCHQ-UHFFFAOYSA-N 2 0 298.456 1.341 10 0 CDAERP CCC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001666015901 1173101084 /nfs/dbraw/zinc/10/10/84/1173101084.db2.gz BLMNRYJMNYFIOF-GOEBONIOSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CCCF)CC[N@@H+]1C ZINC001666417683 1173134214 /nfs/dbraw/zinc/13/42/14/1173134214.db2.gz LINPTMMSAUOMTB-MGPQQGTHSA-N 2 0 285.407 1.267 10 0 CDAERP CC(C)[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001666937425 1173208848 /nfs/dbraw/zinc/20/88/48/1173208848.db2.gz BYTORQAIFIDNJB-CHWSQXEVSA-N 2 0 255.406 1.316 10 0 CDAERP CCC[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001669001017 1173491906 /nfs/dbraw/zinc/49/19/06/1173491906.db2.gz JJTDRDFTPHHALP-BEVHLOIGSA-N 2 0 267.417 1.389 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC1CC1 ZINC001669482872 1173555633 /nfs/dbraw/zinc/55/56/33/1173555633.db2.gz RQIFUCPXUVNMQL-OCCSQVGLSA-N 2 0 267.417 1.365 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001669577003 1173571670 /nfs/dbraw/zinc/57/16/70/1173571670.db2.gz MDQDRFRWAZAOAR-STQMWFEESA-N 2 0 269.433 1.611 10 0 CDAERP CCCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@H]1C ZINC001691749007 1173768392 /nfs/dbraw/zinc/76/83/92/1173768392.db2.gz YGBDHGPUFBUTTH-KGLIPLIRSA-N 2 0 269.433 1.707 10 0 CDAERP CCC[NH2+]C1(C)CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001674001445 1173905314 /nfs/dbraw/zinc/90/53/14/1173905314.db2.gz CPLJXZLKVWAYQT-UHFFFAOYSA-N 2 0 269.433 1.707 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001676970879 1174302328 /nfs/dbraw/zinc/30/23/28/1174302328.db2.gz RSUKICWTFFBXRR-KBPBESRZSA-N 2 0 269.433 1.613 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]C(C)C)C1 ZINC001689015260 1175084486 /nfs/dbraw/zinc/08/44/86/1175084486.db2.gz CLJXOLFOZKCYKU-UONOGXRCSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCF ZINC001690468517 1175476847 /nfs/dbraw/zinc/47/68/47/1175476847.db2.gz GSTYGYMECLDDDQ-CABCVRRESA-N 2 0 299.434 1.799 10 0 CDAERP CCOCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001690464192 1175477460 /nfs/dbraw/zinc/47/74/60/1175477460.db2.gz RIVFHUVMQLVBIF-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP C[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)[NH2+]CCCF ZINC001690632381 1175530667 /nfs/dbraw/zinc/53/06/67/1175530667.db2.gz XHCIXSFJPVBRNS-ZDUSSCGKSA-N 2 0 295.402 1.816 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH+](C)CCC1CC1 ZINC001699011285 1176039994 /nfs/dbraw/zinc/03/99/94/1176039994.db2.gz UKQLTFPQZNVOHI-UHFFFAOYSA-N 2 0 269.433 1.517 10 0 CDAERP CN(CCC[NH2+]CCC1CCCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001699550899 1176472874 /nfs/dbraw/zinc/47/28/74/1176472874.db2.gz NMQSZCLJTSHWBC-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001700086582 1176742402 /nfs/dbraw/zinc/74/24/02/1176742402.db2.gz BMVHWGCZNVWZDY-KGLIPLIRSA-N 2 0 267.417 1.175 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCCCCF)C1 ZINC001700628655 1177041366 /nfs/dbraw/zinc/04/13/66/1177041366.db2.gz BLXQTAAOFMDEPD-KKUMJFAQSA-N 2 0 299.434 1.705 10 0 CDAERP C[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C[NH2+]CCF)C1 ZINC001707161625 1177960473 /nfs/dbraw/zinc/96/04/73/1177960473.db2.gz PBFNHUOTLJEECN-OLZOCXBDSA-N 2 0 273.396 1.124 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001713352759 1178514987 /nfs/dbraw/zinc/51/49/87/1178514987.db2.gz DYZDQCAPZGGHRY-KBPBESRZSA-N 2 0 299.434 1.514 10 0 CDAERP CC[NH2+][C@H]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001713383128 1178529030 /nfs/dbraw/zinc/52/90/30/1178529030.db2.gz WDNKIFYOJRBHMB-UONOGXRCSA-N 2 0 269.433 1.755 10 0 CDAERP CC[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001713408251 1178543653 /nfs/dbraw/zinc/54/36/53/1178543653.db2.gz IOSNVVMMYHNXNR-FRRDWIJNSA-N 2 0 255.406 1.221 10 0 CDAERP CC[C@H](F)C[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001713605029 1178676794 /nfs/dbraw/zinc/67/67/94/1178676794.db2.gz BRAFDANVBQQJOO-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP CCC[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001713641587 1178693476 /nfs/dbraw/zinc/69/34/76/1178693476.db2.gz SIAPYRRYYVPFMA-CQSZACIVSA-N 2 0 269.433 1.707 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H](C[NH2+]C/C=C/Cl)C2)C1 ZINC001714093057 1178968330 /nfs/dbraw/zinc/96/83/30/1178968330.db2.gz ATEMEBFQLMNZDK-IVDJAJHCSA-N 2 0 299.846 1.519 10 0 CDAERP CCCC[NH2+][C@H]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001714411920 1179129342 /nfs/dbraw/zinc/12/93/42/1179129342.db2.gz NHCXVROEKBOKHP-LSDHHAIUSA-N 2 0 293.455 1.899 10 0 CDAERP COCCC[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001714804481 1179404644 /nfs/dbraw/zinc/40/46/44/1179404644.db2.gz VSWHKEPBOYLXDU-OAHLLOKOSA-N 2 0 299.459 1.191 10 0 CDAERP C[N@H+](CC(=O)N[C@H]1CC[C@H]([NH2+]CCCF)CC1)C1CCC1 ZINC001715183469 1179571920 /nfs/dbraw/zinc/57/19/20/1179571920.db2.gz OYGPMFIKFNUKDQ-HDJSIYSDSA-N 2 0 299.434 1.847 10 0 CDAERP CC[NH2+]C[C@@H](C)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001715337690 1179632648 /nfs/dbraw/zinc/63/26/48/1179632648.db2.gz JXDAIIYUZUJHEA-CHWSQXEVSA-N 2 0 255.406 1.317 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001715371336 1179646863 /nfs/dbraw/zinc/64/68/63/1179646863.db2.gz GTTLNLIKQLWESJ-CABCVRRESA-N 2 0 281.444 1.731 10 0 CDAERP C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1C[NH2+]CCF ZINC001715399178 1179657080 /nfs/dbraw/zinc/65/70/80/1179657080.db2.gz IBNHWCDUXUDWHE-DZGCQCFKSA-N 2 0 299.434 1.514 10 0 CDAERP CC[C@H](C)C[NH2+]CCN(CC)C(=O)C1([NH+](C)C)CCC1 ZINC001715738831 1179785889 /nfs/dbraw/zinc/78/58/89/1179785889.db2.gz ZNMIUDQEOVOLRY-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)(C(=O)NC/C=C\C[NH2+]CCCF)[NH+]1CCCC1 ZINC001715850416 1179868319 /nfs/dbraw/zinc/86/83/19/1179868319.db2.gz FXLKCWTXIOLDGS-ARJAWSKDSA-N 2 0 285.407 1.482 10 0 CDAERP CC(C)[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001716368097 1180170709 /nfs/dbraw/zinc/17/07/09/1180170709.db2.gz NVRGJYAHAQXJSR-JGUVHBTRSA-N 2 0 281.444 1.777 10 0 CDAERP CC/C=C/CC[NH2+]C[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001716437684 1180209667 /nfs/dbraw/zinc/20/96/67/1180209667.db2.gz UKRSPSPLFMHQOC-WIJLQKJISA-N 2 0 293.455 1.779 10 0 CDAERP CCCCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001716479960 1180243688 /nfs/dbraw/zinc/24/36/88/1180243688.db2.gz KDIOVERMXMTINK-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[NH2+]CCCN(C)C(=O)c1cc(CN(C)C)on1 ZINC001716552143 1180281787 /nfs/dbraw/zinc/28/17/87/1180281787.db2.gz WUHRMMUFROHLGV-UHFFFAOYSA-N 2 0 296.415 1.444 10 0 CDAERP CC/C=C\CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001716628935 1180314504 /nfs/dbraw/zinc/31/45/04/1180314504.db2.gz PUEWGQTYKRXJME-MSNYOWOLSA-N 2 0 293.455 1.779 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC(C)C ZINC001717435428 1180670896 /nfs/dbraw/zinc/67/08/96/1180670896.db2.gz RKBVUHPKCDZFLO-OLZOCXBDSA-N 2 0 257.422 1.467 10 0 CDAERP CC/C=C/CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001717545037 1180732309 /nfs/dbraw/zinc/73/23/09/1180732309.db2.gz MAQYYTYPAMCYJJ-NCVJHSOJSA-N 2 0 293.455 1.873 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C)C1C[NH+](CC)C1)[NH+](CC)CC ZINC001717555446 1180739026 /nfs/dbraw/zinc/73/90/26/1180739026.db2.gz AKOGRILCDZTKIT-JSGCOSHPSA-N 2 0 269.433 1.563 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC2CC2)CC1(C)C ZINC001717585320 1180750036 /nfs/dbraw/zinc/75/00/36/1180750036.db2.gz OLCKLRJSTICGDT-CYBMUJFWSA-N 2 0 267.417 1.175 10 0 CDAERP CC[C@H](F)C[NH2+]CCC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001717692026 1180792239 /nfs/dbraw/zinc/79/22/39/1180792239.db2.gz OJLHMDCAKVWVJO-KGLIPLIRSA-N 2 0 299.434 1.705 10 0 CDAERP C[C@@H]1[C@@H]([NH2+]CCCF)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001717794131 1180858253 /nfs/dbraw/zinc/85/82/53/1180858253.db2.gz SBJFDAYFAKCMAD-OCCSQVGLSA-N 2 0 285.407 1.409 10 0 CDAERP C[C@H](C[N@H+](C)CCC1CC1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001722913830 1181491751 /nfs/dbraw/zinc/49/17/51/1181491751.db2.gz GYJMHIHSUJNGJY-OCCSQVGLSA-N 2 0 267.417 1.175 10 0 CDAERP CCC/C=C/CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001723482716 1181573346 /nfs/dbraw/zinc/57/33/46/1181573346.db2.gz PAJMRHVMNKKTJI-DOOVEFGSSA-N 2 0 293.455 1.875 10 0 CDAERP CC(C)[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001723878041 1181614359 /nfs/dbraw/zinc/61/43/59/1181614359.db2.gz XZRHGQFGCGXJPA-ZIAGYGMSSA-N 2 0 269.433 1.704 10 0 CDAERP CCCC[NH2+]CC1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001725072324 1181845677 /nfs/dbraw/zinc/84/56/77/1181845677.db2.gz IGNOAHBUOLAMAC-ROKHWSDSSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CCF)CN1C(=O)CCCC[NH+]1CCCC1 ZINC001725583797 1182060391 /nfs/dbraw/zinc/06/03/91/1182060391.db2.gz DYKFIRIPZHBOMX-CABCVRRESA-N 2 0 299.434 1.801 10 0 CDAERP CCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001725621567 1182074390 /nfs/dbraw/zinc/07/43/90/1182074390.db2.gz KZEROTMWTYDVPK-OWCLPIDISA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001731282855 1182293604 /nfs/dbraw/zinc/29/36/04/1182293604.db2.gz LLOPFQFWUMZUIV-OLZOCXBDSA-N 2 0 273.396 1.124 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCCF)C1 ZINC001731660358 1182507377 /nfs/dbraw/zinc/50/73/77/1182507377.db2.gz PAVMTJVAXWYTSB-HUUCEWRRSA-N 2 0 299.434 1.659 10 0 CDAERP CCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)[NH+](C)C ZINC001732146619 1182805503 /nfs/dbraw/zinc/80/55/03/1182805503.db2.gz HHRAMDSCKFDZTB-KKUMJFAQSA-N 2 0 281.444 1.802 10 0 CDAERP C[C@H](C[NH2+]C/C=C\Cl)N(C)C(=O)CC[NH+](C)C ZINC001732438747 1182967368 /nfs/dbraw/zinc/96/73/68/1182967368.db2.gz XNDRJFWBOGFBHZ-JPVGGKMYSA-N 2 0 261.797 1.127 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]CCF ZINC001732512754 1182993691 /nfs/dbraw/zinc/99/36/91/1182993691.db2.gz SGVUHZVLOZNSIX-CABCVRRESA-N 2 0 299.434 1.801 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1CC[NH2+]CCF ZINC001732516692 1182994618 /nfs/dbraw/zinc/99/46/18/1182994618.db2.gz IARNYEAOFXEXCB-AWEZNQCLSA-N 2 0 287.423 1.659 10 0 CDAERP COCCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001732544237 1183002404 /nfs/dbraw/zinc/00/24/04/1183002404.db2.gz OANFKJMNGDRIKV-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP CCCCC[N@H+](C)CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001732581524 1183025859 /nfs/dbraw/zinc/02/58/59/1183025859.db2.gz DXEARHWBAOUYDL-INIZCTEOSA-N 2 0 295.471 1.909 10 0 CDAERP CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CCC[NH+](C)C ZINC001732620271 1183051397 /nfs/dbraw/zinc/05/13/97/1183051397.db2.gz NVDYDGYUHOMZCG-KBPBESRZSA-N 2 0 269.433 1.613 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@H]1CCC[C@H]1C[NH2+]CCF ZINC001732620457 1183051728 /nfs/dbraw/zinc/05/17/28/1183051728.db2.gz OWYBJQZOFFRDGF-STQMWFEESA-N 2 0 273.396 1.172 10 0 CDAERP C[NH+](C)CCC(=O)NC/C=C\C[NH2+]CCC(F)(F)F ZINC001732896096 1183175314 /nfs/dbraw/zinc/17/53/14/1183175314.db2.gz YRDQIEWVUASCPM-ARJAWSKDSA-N 2 0 281.322 1.153 10 0 CDAERP CC(C)[NH2+]C/C=C/CNC(=O)CCC[NH+]1CCCC1 ZINC001732941723 1183193086 /nfs/dbraw/zinc/19/30/86/1183193086.db2.gz WTTNZOYKZOFROX-ONEGZZNKSA-N 2 0 267.417 1.533 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@@](C)(C[NH2+]CCF)C1 ZINC001733427216 1183430488 /nfs/dbraw/zinc/43/04/88/1183430488.db2.gz OHSVKZWHUUUDIV-HOCLYGCPSA-N 2 0 299.434 1.659 10 0 CDAERP CCCC[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001733553696 1183465018 /nfs/dbraw/zinc/46/50/18/1183465018.db2.gz REXJPUWBXYNGFM-GJZGRUSLSA-N 2 0 295.471 1.812 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@H](C[NH2+]CCF)CC2)C1 ZINC001733568321 1183468195 /nfs/dbraw/zinc/46/81/95/1183468195.db2.gz DPAFPPOMXPSZJJ-RBSFLKMASA-N 2 0 299.434 1.420 10 0 CDAERP CCC1([NH2+]CCCF)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001733809139 1183537028 /nfs/dbraw/zinc/53/70/28/1183537028.db2.gz HAQPQLLKBMSKPG-UHFFFAOYSA-N 2 0 299.434 1.803 10 0 CDAERP O=C(C[NH+]1CCCC1)NC1CC(C[NH2+]C/C=C/Cl)C1 ZINC001733957565 1183584552 /nfs/dbraw/zinc/58/45/52/1183584552.db2.gz BAXDJMAJXUWSLM-ONEGZZNKSA-N 2 0 285.819 1.319 10 0 CDAERP C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)[NH2+]CCCF ZINC001733978845 1183598778 /nfs/dbraw/zinc/59/87/78/1183598778.db2.gz MWIVVFACDZZIJC-KBPBESRZSA-N 2 0 299.434 1.705 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001734338336 1183738806 /nfs/dbraw/zinc/73/88/06/1183738806.db2.gz CAEWFLWULUHTKF-AWEZNQCLSA-N 2 0 281.444 1.731 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001734479293 1183794426 /nfs/dbraw/zinc/79/44/26/1183794426.db2.gz MFEZQPBUFBDYCD-UKRRQHHQSA-N 2 0 281.444 1.613 10 0 CDAERP CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC001734503418 1183801950 /nfs/dbraw/zinc/80/19/50/1183801950.db2.gz AIAAHRDLSQOVQX-UONOGXRCSA-N 2 0 281.444 1.565 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCC2CC[NH2+]CC2)C1 ZINC000925702270 726020910 /nfs/dbraw/zinc/02/09/10/726020910.db2.gz MNFKCOYNRFSRBQ-KBPBESRZSA-N 3 0 253.434 1.872 10 0 CDAERP C[C@@H](CNC(=O)C[N@@H+]1CCC[C@H]1C)[NH+]1CCC[C@@H]1C ZINC000929754219 726290974 /nfs/dbraw/zinc/29/09/74/726290974.db2.gz LABWVBFRRTZDFO-RDBSUJKOSA-N 2 0 267.417 1.460 10 0 CDAERP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000717904269 726302691 /nfs/dbraw/zinc/30/26/91/726302691.db2.gz DSGUVRBKOJKEDV-XGUBFFRZSA-N 2 0 251.418 1.672 10 0 CDAERP CC1(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)CC(F)(F)C1 ZINC000720949701 726881801 /nfs/dbraw/zinc/88/18/01/726881801.db2.gz NRZBXTCRZIJJCR-LLVKDONJSA-N 2 0 262.344 1.468 10 0 CDAERP C[C@@H](Cc1cnccn1)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858115061 727009338 /nfs/dbraw/zinc/00/93/38/727009338.db2.gz BITOHUYRMOZJHF-QWHCGFSZSA-N 2 0 262.401 1.870 10 0 CDAERP C[C@H](CC[NH2+]C[C@@H](O)CC(C)(C)O)[NH+]1CCCCC1 ZINC000872206115 727110715 /nfs/dbraw/zinc/11/07/15/727110715.db2.gz OKXPWJNYIFZQNN-KGLIPLIRSA-N 2 0 272.433 1.362 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=[NH2+])Nc2ccc(CCO)cc2)C1 ZINC000864469437 1164549908 /nfs/dbraw/zinc/54/99/08/1164549908.db2.gz PQXVXAXECGTQOX-OTVXOJSOSA-N 2 0 290.411 1.498 10 0 CDAERP CC[N@H+](CCN[C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)C(C)C ZINC000261975781 726011636 /nfs/dbraw/zinc/01/16/36/726011636.db2.gz RCPSYOOQAMBCBO-XHSDSOJGSA-N 2 0 283.460 1.463 10 0 CDAERP CCO[C@H](C[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)C1CC1 ZINC000872150668 726012651 /nfs/dbraw/zinc/01/26/51/726012651.db2.gz ZAHQQYIVSFFSIG-GRYCIOLGSA-N 2 0 280.334 1.871 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925676507 726012954 /nfs/dbraw/zinc/01/29/54/726012954.db2.gz NESBUQIAZUZTJB-MJBXVCDLSA-N 2 0 253.434 1.966 10 0 CDAERP CC(C)OC(=O)N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000817911231 726013642 /nfs/dbraw/zinc/01/36/42/726013642.db2.gz HEJMGCFYXCHVIT-YIONKMFJSA-N 2 0 295.427 1.868 10 0 CDAERP O[C@@H](C[NH2+]Cc1ccccc1-n1ccnc1)C1CC1 ZINC000819208911 726020019 /nfs/dbraw/zinc/02/00/19/726020019.db2.gz TXYPIPZWVCQVQW-HNNXBMFYSA-N 2 0 257.337 1.733 10 0 CDAERP C[C@H](C(=O)Nc1ccccc1)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923504900 726024069 /nfs/dbraw/zinc/02/40/69/726024069.db2.gz VZXVIYIGEBSCFC-MGPQQGTHSA-N 2 0 275.396 1.930 10 0 CDAERP CCCCNC(=O)CC[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872153147 726037626 /nfs/dbraw/zinc/03/76/26/726037626.db2.gz ZCNCFIZPMNFRRI-QWRGUYRKSA-N 2 0 295.349 1.362 10 0 CDAERP Fc1cc(C[NH2+]C2CCN([C@H]3CCOC3)CC2)ccn1 ZINC000858195293 726036683 /nfs/dbraw/zinc/03/66/83/726036683.db2.gz VBHLUJHIZSUTES-AWEZNQCLSA-N 2 0 279.359 1.564 10 0 CDAERP [NH3+]C[C@@H]1CN(C[C@H]2CCC[NH2+]C2)C[C@H]1C(F)(F)F ZINC000872150165 726043171 /nfs/dbraw/zinc/04/31/71/726043171.db2.gz YSDGTMIRHXXIMD-HBNTYKKESA-N 2 0 265.323 1.055 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)NCc2ccccc2)C[C@H]1CC[NH3+] ZINC000723908458 726069247 /nfs/dbraw/zinc/06/92/47/726069247.db2.gz SORGOLQVKICEEV-UKRRQHHQSA-N 2 0 275.396 1.220 10 0 CDAERP C[C@H]1COC[C@@H]1[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000925158288 726097231 /nfs/dbraw/zinc/09/72/31/726097231.db2.gz YRRYWDNDBXBREM-HOTGVXAUSA-N 2 0 295.471 1.561 10 0 CDAERP c1cn(-c2ncccc2C[NH2+]CC2CC[NH2+]CC2)cn1 ZINC000843125862 726109303 /nfs/dbraw/zinc/10/93/03/726109303.db2.gz JTVFIGBAONBEII-UHFFFAOYSA-N 2 0 271.368 1.357 10 0 CDAERP C[N@@H+]1CCC[C@@H]2CN(CN3C[C@@H]4CCC[C@H]4C3=O)CC[C@@H]21 ZINC000840025389 726183981 /nfs/dbraw/zinc/18/39/81/726183981.db2.gz BZIRMSVMCWXHBC-JJXSEGSLSA-N 2 0 291.439 1.619 10 0 CDAERP C(C1CC1)[C@@H]1COCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000923551623 726185095 /nfs/dbraw/zinc/18/50/95/726185095.db2.gz BCCJWHJUQQTROI-KGLIPLIRSA-N 2 0 266.385 1.008 10 0 CDAERP COC[C@H](C[NH2+][C@@H]1CCCN2CCCC[C@H]12)OC ZINC000926120737 726203541 /nfs/dbraw/zinc/20/35/41/726203541.db2.gz HZRLVCILBPWXOD-BFHYXJOUSA-N 2 0 256.390 1.254 10 0 CDAERP CC1(C)[C@H](NC[C@H]2CC[N@@H+](C3CC3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925538366 726214552 /nfs/dbraw/zinc/21/45/52/726214552.db2.gz URJAQRKGCWBHID-DMRZNYOFSA-N 2 0 277.456 1.837 10 0 CDAERP [NH3+]Cc1nc2c(s1)CCN([C@@H]1CC[N@@H+]3CCC[C@H]3C1)C2 ZINC000710206460 726248747 /nfs/dbraw/zinc/24/87/47/726248747.db2.gz FPNQUUQNCJUDAZ-NWDGAFQWSA-N 2 0 292.452 1.587 10 0 CDAERP O=C([C@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1)N1CCCC1 ZINC000923315267 726250548 /nfs/dbraw/zinc/25/05/48/726250548.db2.gz DXBKMPANECMQAS-AWEZNQCLSA-N 2 0 279.428 1.463 10 0 CDAERP C[C@@H]1C[C@@H](C)C[NH+](CCCNC2=[NH+]CCCCN2)C1 ZINC000849215330 726254238 /nfs/dbraw/zinc/25/42/38/726254238.db2.gz CPHPBOFFOHTIAD-ZIAGYGMSSA-N 2 0 266.433 1.683 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925676504 726257021 /nfs/dbraw/zinc/25/70/21/726257021.db2.gz NESBUQIAZUZTJB-MCIONIFRSA-N 2 0 253.434 1.966 10 0 CDAERP CC[C@H](C[C@H](C)O)[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000866635123 726259424 /nfs/dbraw/zinc/25/94/24/726259424.db2.gz XLOSHVSKZMNYLD-NJVJYBDUSA-N 2 0 254.418 1.998 10 0 CDAERP CC(C)C[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000796723195 726263383 /nfs/dbraw/zinc/26/33/83/726263383.db2.gz KNRKFTNHFPKUTQ-YJNKXOJESA-N 2 0 254.418 1.856 10 0 CDAERP CC(C)OC(=O)N1CCC([NH2+][C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000817911364 726288922 /nfs/dbraw/zinc/28/89/22/726288922.db2.gz KQUWDWVSIFWWOT-CHWSQXEVSA-N 2 0 269.389 1.465 10 0 CDAERP [NH3+]CCOCC[NH+]1CCC(c2nc(C3CCC3)no2)CC1 ZINC000866704507 726295863 /nfs/dbraw/zinc/29/58/63/726295863.db2.gz VXIISLRYCMISRY-UHFFFAOYSA-N 2 0 294.399 1.492 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711355027 726307026 /nfs/dbraw/zinc/30/70/26/726307026.db2.gz QBFZYZOCQNTQOT-GFCCVEGCSA-N 2 0 255.406 1.080 10 0 CDAERP C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923502351 726314831 /nfs/dbraw/zinc/31/48/31/726314831.db2.gz BIAGYAQUAGEHTP-APIJFGDWSA-N 2 0 281.444 1.598 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H]2COC3(CCCC3)O2)C12CCC2 ZINC000925631334 726315303 /nfs/dbraw/zinc/31/53/03/726315303.db2.gz UPABPKYQLCURGE-XQQFMLRXSA-N 2 0 266.385 1.532 10 0 CDAERP C[N@@H+]1CCC[C@@H]2C[NH+](CCO[C@@H]3CCOC3)CC[C@H]21 ZINC000929849339 726352669 /nfs/dbraw/zinc/35/26/69/726352669.db2.gz XHMKWRZHELUBCD-RBSFLKMASA-N 2 0 268.401 1.208 10 0 CDAERP C[NH+](C)CC1(O)CC[NH+](C[C@H]2CCC3(CCC3)O2)CC1 ZINC000712511958 726372822 /nfs/dbraw/zinc/37/28/22/726372822.db2.gz SUJYQGZVBPRDMF-CQSZACIVSA-N 2 0 282.428 1.477 10 0 CDAERP C(C[C@@H]1CCSC1)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000704918370 726805358 /nfs/dbraw/zinc/80/53/58/726805358.db2.gz JCVFFZSMXDPGHR-BBMNEWJDSA-N 2 0 252.427 1.716 10 0 CDAERP CC[NH2+]Cc1ccccc1NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872255817 726805597 /nfs/dbraw/zinc/80/55/97/726805597.db2.gz GFDSWEZCSVEOMM-WWGRRREGSA-N 2 0 273.380 1.862 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)CC1 ZINC000723666856 726807460 /nfs/dbraw/zinc/80/74/60/726807460.db2.gz SDEZWPSBLLDWAZ-RRFJBIMHSA-N 2 0 282.428 1.238 10 0 CDAERP C[C@H]([NH3+])c1cn([C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000849151260 726853855 /nfs/dbraw/zinc/85/38/55/726853855.db2.gz YOLHNUYBLDAEIK-GXTWGEPZSA-N 2 0 271.368 1.745 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC000925627326 726904189 /nfs/dbraw/zinc/90/41/89/726904189.db2.gz BKRKCSWTXRYALW-NWDGAFQWSA-N 2 0 253.390 1.008 10 0 CDAERP CC[NH+]1CCC(NC[C@H](O)c2ccc(F)cn2)CC1 ZINC000818940728 726939135 /nfs/dbraw/zinc/93/91/35/726939135.db2.gz DDZDKSVOIMPUBC-AWEZNQCLSA-N 2 0 267.348 1.328 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@]1(C(F)(F)F)CCCN1 ZINC000925858627 726984575 /nfs/dbraw/zinc/98/45/75/726984575.db2.gz VKDAPKCQXBGBJE-MNOVXSKESA-N 2 0 283.338 1.014 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]CCCNC(=O)c2cccs2)C12CCC2 ZINC000925600296 727044124 /nfs/dbraw/zinc/04/41/24/727044124.db2.gz VAWREVVTAIINHL-OLZOCXBDSA-N 2 0 293.436 1.728 10 0 CDAERP C[NH+](C)C1CCN(CCN[C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925529145 727084916 /nfs/dbraw/zinc/08/49/16/727084916.db2.gz BWWOUMUBQPQPND-MRXNPFEDSA-N 2 0 294.487 1.277 10 0 CDAERP C[C@@H](c1cccnc1)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923451043 727110557 /nfs/dbraw/zinc/11/05/57/727110557.db2.gz LBLVHOLOHYPCOJ-ZFWWWQNUSA-N 2 0 275.396 1.972 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CC1 ZINC000715073810 727118011 /nfs/dbraw/zinc/11/80/11/727118011.db2.gz MWRQXHVHZNUSKE-QWRGUYRKSA-N 2 0 289.370 1.159 10 0 CDAERP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000872290364 727143015 /nfs/dbraw/zinc/14/30/15/727143015.db2.gz ZCTILAGGADLBCW-CAOSSQGBSA-N 2 0 293.455 1.885 10 0 CDAERP Cc1cc(N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)nc(N)[nH+]1 ZINC000394149075 727144295 /nfs/dbraw/zinc/14/42/95/727144295.db2.gz HBQWPPAITRFTBD-FOSCPWQOSA-N 2 0 261.373 1.259 10 0 CDAERP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)[C@@H]1CCCOC1 ZINC000723973160 727144370 /nfs/dbraw/zinc/14/43/70/727144370.db2.gz DHSOOIHHEDTAND-PMPSAXMXSA-N 2 0 284.444 1.628 10 0 CDAERP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@@H]1C[C@H]3CCC[C@@H]3O1)C2 ZINC000720830792 727168635 /nfs/dbraw/zinc/16/86/35/727168635.db2.gz QHPSWIZLCXABLY-CAEXGNQWSA-N 2 0 250.386 1.485 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCCn2ccnc2)C1 ZINC000925494348 727171543 /nfs/dbraw/zinc/17/15/43/727171543.db2.gz OCYOGKHLGSKPMO-CHWSQXEVSA-N 2 0 250.390 1.769 10 0 CDAERP C([NH2+]C[C@H]1CCCOC1)C1CC[NH+](C2CCOCC2)CC1 ZINC000850344686 727208593 /nfs/dbraw/zinc/20/85/93/727208593.db2.gz SGHDYSWETKNUOC-MRXNPFEDSA-N 2 0 296.455 1.894 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH2+]CC2(C)C)C1 ZINC000711370300 727244267 /nfs/dbraw/zinc/24/42/67/727244267.db2.gz RDBBZAVDVDGIRO-NEPJUHHUSA-N 2 0 267.417 1.221 10 0 CDAERP C[C@]1(c2nc(-c3ccn4c[nH+]cc4c3)no2)C[NH2+]CCO1 ZINC000872181727 727251731 /nfs/dbraw/zinc/25/17/31/727251731.db2.gz QHMYYNUHQZUCJA-CQSZACIVSA-N 2 0 285.307 1.219 10 0 CDAERP c1cc(N2CCC(CNC3=[NH+]CCCCN3)CC2)cc[nH+]1 ZINC000849217895 727255303 /nfs/dbraw/zinc/25/53/03/727255303.db2.gz SHEPJLGXNQVSRK-UHFFFAOYSA-N 2 0 287.411 1.627 10 0 CDAERP CN(C[C@@H](O)C[NH2+]CC[C@H]1CC(C)(C)CO1)C1CC1 ZINC000717349741 727284803 /nfs/dbraw/zinc/28/48/03/727284803.db2.gz WUGKXULJUQOYAU-KBPBESRZSA-N 2 0 270.417 1.236 10 0 CDAERP CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000872144035 727304521 /nfs/dbraw/zinc/30/45/21/727304521.db2.gz AKMSSZHQIVCVBZ-AALSBFMBSA-N 2 0 282.428 1.630 10 0 CDAERP C[C@@H]1C[C@H](CN2CC[N@@H+]3CCCC[C@@H]3C2)CC[NH2+]1 ZINC000261590397 727309347 /nfs/dbraw/zinc/30/93/47/727309347.db2.gz WYWYVDFJKUUPFH-RBSFLKMASA-N 2 0 251.418 1.545 10 0 CDAERP CCNC(NCC[N@H+](C)C1CCCCC1)=[NH+]CC ZINC000066244731 727316029 /nfs/dbraw/zinc/31/60/29/727316029.db2.gz UMMRENJFKKQTOL-UHFFFAOYSA-N 2 0 254.422 1.826 10 0 CDAERP [NH3+]CCCN(CCC[NH2+]C1CC1)CC1CCCC1 ZINC000923353790 727322954 /nfs/dbraw/zinc/32/29/54/727322954.db2.gz NHRFWFXXRSEDNK-UHFFFAOYSA-N 2 0 253.434 1.970 10 0 CDAERP CC1(CCCC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)OCCO1 ZINC000838793185 727340214 /nfs/dbraw/zinc/34/02/14/727340214.db2.gz GVYAIDQTAGVVQB-CHWSQXEVSA-N 2 0 254.374 1.071 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000713051730 727347843 /nfs/dbraw/zinc/34/78/43/727347843.db2.gz PFJLDLGEDJSZOU-JSGCOSHPSA-N 2 0 281.444 1.596 10 0 CDAERP CC(C)CC[C@H]([NH3+])C(=O)N1CC[NH2+]CCC1(C)C ZINC000872299916 727350152 /nfs/dbraw/zinc/35/01/52/727350152.db2.gz GDDIFNCSHAFKGG-LBPRGKRZSA-N 2 0 255.406 1.350 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000722503973 727357222 /nfs/dbraw/zinc/35/72/22/727357222.db2.gz DXQOMCIAVSZKOC-TZMCWYRMSA-N 2 0 296.436 1.425 10 0 CDAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CC[C@@H]1CCCCO1)CC2 ZINC000923450753 727366464 /nfs/dbraw/zinc/36/64/64/727366464.db2.gz IFDRAPRWWBTEFO-GJZGRUSLSA-N 2 0 282.428 1.775 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000866709339 727379148 /nfs/dbraw/zinc/37/91/48/727379148.db2.gz WMCGZSAAGPNJHO-DZGCQCFKSA-N 3 0 253.434 1.683 10 0 CDAERP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCOCC12CCC2 ZINC000707457146 727393382 /nfs/dbraw/zinc/39/33/82/727393382.db2.gz PEBBFNPZRQNBGA-AGUYFDCRSA-N 2 0 250.386 1.772 10 0 CDAERP COCC[N@H+](C/C=C(\C)COC)CC1CC[NH+](C)CC1 ZINC000931381073 727400941 /nfs/dbraw/zinc/40/09/41/727400941.db2.gz UWGCBZDBEABDOF-PJQLUOCWSA-N 2 0 284.444 1.869 10 0 CDAERP COCc1cc([C@@H](C)[NH2+]CCC[NH3+])ccc1OC ZINC000037713624 727416002 /nfs/dbraw/zinc/41/60/02/727416002.db2.gz NTAWPRQHBJVJPY-LLVKDONJSA-N 2 0 252.358 1.841 10 0 CDAERP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cccnc1-n1ccnc1 ZINC000817900730 727432839 /nfs/dbraw/zinc/43/28/39/727432839.db2.gz VJPHIFVCMMXUPH-OCCSQVGLSA-N 2 0 271.368 1.484 10 0 CDAERP CN1Cc2ccccc2[C@H]1CN[C@H]1CC[NH2+]C1(C)C ZINC000925727417 727435610 /nfs/dbraw/zinc/43/56/10/727435610.db2.gz PGUYHPONGIETCO-CABCVRRESA-N 2 0 259.397 1.903 10 0 CDAERP COCC[N@H+](C)CCC[NH2+]C1CCC(CNC(C)=O)CC1 ZINC000865412557 727445074 /nfs/dbraw/zinc/44/50/74/727445074.db2.gz PPKNBGPDJRZMDZ-UHFFFAOYSA-N 2 0 299.459 1.239 10 0 CDAERP C[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C[C@@H]1CCC[NH+](C)C1 ZINC000705144130 727448596 /nfs/dbraw/zinc/44/85/96/727448596.db2.gz BVNGUJSZZNPCIM-WZYMTQMTSA-N 3 0 265.445 1.791 10 0 CDAERP C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCCNC1=O ZINC000923310067 727451298 /nfs/dbraw/zinc/45/12/98/727451298.db2.gz CSAOSNDZQMYUPJ-JALIKCBVSA-N 2 0 279.428 1.508 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H](c2ncc[nH]2)c2cccnc2)C1 ZINC000925879777 727452648 /nfs/dbraw/zinc/45/26/48/727452648.db2.gz KTWOHIDLUFNJSC-IACUBPJLSA-N 2 0 271.368 1.611 10 0 CDAERP C[C@@H]1C[C@@H]1NC(=[NH2+])NCc1cccc(OCC[NH+](C)C)c1 ZINC000864452488 727454474 /nfs/dbraw/zinc/45/44/74/727454474.db2.gz HKHZZIVFDMAEAL-DOMZBBRYSA-N 2 0 290.411 1.649 10 0 CDAERP C[NH+](C)CCC[C@H]1CN(C(=O)CCCCCC[NH3+])CCO1 ZINC000852924873 727456002 /nfs/dbraw/zinc/45/60/02/727456002.db2.gz VXCZZKOMFWDAOT-HNNXBMFYSA-N 2 0 299.459 1.465 10 0 CDAERP C[C@H](C[NH2+][C@H](C1CC1)[C@H]1CCCOC1)C[NH+](C)C ZINC000926469918 727465495 /nfs/dbraw/zinc/46/54/95/727465495.db2.gz IBLPGHBHYCNYGY-VHDGCEQUSA-N 2 0 254.418 1.979 10 0 CDAERP C[C@@H]1[C@H](NC(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)CC[N@@H+]1C ZINC000925330236 727787458 /nfs/dbraw/zinc/78/74/58/727787458.db2.gz RJJBNJBVBMKOQN-LXTVHRRPSA-N 2 0 294.443 1.205 10 0 CDAERP COCC1([NH2+]C[C@H](O)C[NH+]2CCCC2)CCCCC1 ZINC000852771174 727788895 /nfs/dbraw/zinc/78/88/95/727788895.db2.gz KKQBBPSKEZLCSM-AWEZNQCLSA-N 2 0 270.417 1.382 10 0 CDAERP CC[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@H]1CCCOC1 ZINC000872037066 727800461 /nfs/dbraw/zinc/80/04/61/727800461.db2.gz AIKYKWWBRULJFS-KBPBESRZSA-N 2 0 270.417 1.238 10 0 CDAERP C[C@@H]1[C@H](NC(=O)NCC[C@@H]2CCC[NH+](C)C2)CC[N@@H+]1C ZINC000922852308 727815190 /nfs/dbraw/zinc/81/51/90/727815190.db2.gz JUWFDHMDJGDHGI-HZSPNIEDSA-N 2 0 282.432 1.110 10 0 CDAERP C1C[NH2+][C@H]([C@@H]2CCC[C@@H]2[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)C1 ZINC000873217450 727834092 /nfs/dbraw/zinc/83/40/92/727834092.db2.gz MLCQLGPXNKZHLM-SBIMIMEHSA-N 2 0 276.424 1.920 10 0 CDAERP CC1CCC(NC(=O)C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)CC1 ZINC000923504715 727834813 /nfs/dbraw/zinc/83/48/13/727834813.db2.gz UILIIQNVRKTNDH-PIOWNMBXSA-N 2 0 281.444 1.598 10 0 CDAERP COc1cc(C[N@H+](C)C[C@H]2CC3(C[NH2+]C3)CO2)ccc1O ZINC000923300361 727846675 /nfs/dbraw/zinc/84/66/75/727846675.db2.gz GNYLGNRLECSDDT-CYBMUJFWSA-N 2 0 292.379 1.211 10 0 CDAERP [NH2+]=C(NCCC1CC1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000864458503 727865379 /nfs/dbraw/zinc/86/53/79/727865379.db2.gz MIZHUYUGAGDTMT-UHFFFAOYSA-N 2 0 294.443 1.545 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)OCc1ccc(N)nc1 ZINC000922724411 727891892 /nfs/dbraw/zinc/89/18/92/727891892.db2.gz BWBOXADPWKGZML-ZDUSSCGKSA-N 2 0 277.368 1.972 10 0 CDAERP CS(=O)(=O)CCC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925590078 727892753 /nfs/dbraw/zinc/89/27/53/727892753.db2.gz FDCOOBFMORNGDG-ZIAGYGMSSA-N 2 0 288.457 1.179 10 0 CDAERP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925776143 727920317 /nfs/dbraw/zinc/92/03/17/727920317.db2.gz JGXCEWBCACRWME-OLZOCXBDSA-N 2 0 286.370 1.742 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000715493039 727935974 /nfs/dbraw/zinc/93/59/74/727935974.db2.gz JOKJSRIQNKJYNF-IIAWOOMASA-N 2 0 279.428 1.367 10 0 CDAERP CN(CCCNC(=[NH2+])NC1CCCCC1)CC[NH+](C)C ZINC000849028166 727984076 /nfs/dbraw/zinc/98/40/76/727984076.db2.gz HJQYYRUFDJVRQK-UHFFFAOYSA-N 2 0 283.464 1.317 10 0 CDAERP C[N@H+](C[C@@H]1C[C@@H]2COC[C@H]2O1)C[C@H]1CCC[NH+](C)C1 ZINC000929699527 728022124 /nfs/dbraw/zinc/02/21/24/728022124.db2.gz QPJFWZHLRXESLH-LJISPDSOSA-N 2 0 268.401 1.064 10 0 CDAERP Cc1cc([C@H]([NH3+])CC(=O)NC[C@H]2CCC[NH2+]2)cc(Cl)n1 ZINC000841847188 728027542 /nfs/dbraw/zinc/02/75/42/728027542.db2.gz SEGNDPPEAGESLP-VXGBXAGGSA-N 2 0 296.802 1.302 10 0 CDAERP O=C1NCCC12CC[NH+](CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000923420492 728062264 /nfs/dbraw/zinc/06/22/64/728062264.db2.gz LHTPKOXFVPEUMC-GOOCMWNKSA-N 2 0 291.439 1.509 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](CC(OC)OC)CC1 ZINC000781884701 728099007 /nfs/dbraw/zinc/09/90/07/728099007.db2.gz NNFNNNNCQAIQPJ-UHFFFAOYSA-N 2 0 258.406 1.659 10 0 CDAERP CC(C)[C@@H](C)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870022243 728108186 /nfs/dbraw/zinc/10/81/86/728108186.db2.gz ZVOFMVQFDJDLIK-RBSFLKMASA-N 2 0 283.460 1.476 10 0 CDAERP CCCN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923479489 728137339 /nfs/dbraw/zinc/13/73/39/728137339.db2.gz PWHQTAQMXSWJGB-NSHDSACASA-N 2 0 295.349 1.458 10 0 CDAERP CC(C)OC(=O)N1CCC([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000817913389 728169373 /nfs/dbraw/zinc/16/93/73/728169373.db2.gz ZJAUFFPIHHKQAS-JSGCOSHPSA-N 2 0 283.416 1.726 10 0 CDAERP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1 ZINC000925858582 728170399 /nfs/dbraw/zinc/17/03/99/728170399.db2.gz YOVHWBURBDRALR-UPJWGTAASA-N 2 0 266.385 1.450 10 0 CDAERP [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(Cl)cn3)C[C@@H]12 ZINC000703861340 728171110 /nfs/dbraw/zinc/17/11/10/728171110.db2.gz TZAWHNJMGSLTNV-OASPWFOLSA-N 2 0 251.761 1.904 10 0 CDAERP CCn1cc(CN[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)nn1 ZINC000925713640 728180616 /nfs/dbraw/zinc/18/06/16/728180616.db2.gz XWSSKJVOFCESJW-GHMZBOCLSA-N 2 0 251.378 1.294 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)NCC2([NH+](C)C)CC2)CC1 ZINC000922983191 728208166 /nfs/dbraw/zinc/20/81/66/728208166.db2.gz YRWOOXBCOYUVMG-UHFFFAOYSA-N 2 0 296.459 1.596 10 0 CDAERP C[N@@H+]1CC[C@H]2CN(C(=O)CC[NH2+]C(C)(C)C)C[C@@H]2C1 ZINC000311729588 728227955 /nfs/dbraw/zinc/22/79/55/728227955.db2.gz YRSKXTOOLLMGAZ-STQMWFEESA-N 2 0 267.417 1.175 10 0 CDAERP CC(C)(O)C[N@@H+]1CC[C@H](N[C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000865660536 728235137 /nfs/dbraw/zinc/23/51/37/728235137.db2.gz UNZVFCMENXHUTK-SOUVJXGZSA-N 2 0 281.444 1.048 10 0 CDAERP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)[C@H]1C ZINC000925804089 728255142 /nfs/dbraw/zinc/25/51/42/728255142.db2.gz ZERMWKSOUBLUNF-GZBLMMOJSA-N 2 0 282.428 1.799 10 0 CDAERP C[C@H](C(=O)N1CCCCC1)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923501657 728283626 /nfs/dbraw/zinc/28/36/26/728283626.db2.gz RVKVZSPYOOGXLV-MCIONIFRSA-N 2 0 267.417 1.304 10 0 CDAERP C[NH+]1CCC(c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)CC1 ZINC000712739131 728304407 /nfs/dbraw/zinc/30/44/07/728304407.db2.gz KDFGPSNOCVURKO-YHWZYXNKSA-N 2 0 276.384 1.877 10 0 CDAERP COC(=O)c1coc([C@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000925881166 728320736 /nfs/dbraw/zinc/32/07/36/728320736.db2.gz YJSXNXDGMHUOHK-UMNHJUIQSA-N 2 0 266.341 1.844 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCC1(CO)CCC1 ZINC000849048314 728334532 /nfs/dbraw/zinc/33/45/32/728334532.db2.gz GXVFJUZJDRNBJA-ZDUSSCGKSA-N 2 0 282.432 1.137 10 0 CDAERP C[C@H](C(=O)N(C)c1ccccc1)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923504359 728376791 /nfs/dbraw/zinc/37/67/91/728376791.db2.gz QTTJHKJAXZHXLK-KFWWJZLASA-N 2 0 289.423 1.955 10 0 CDAERP CC(C)[C@H](C)NC(=O)CN1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705209 1164811061 /nfs/dbraw/zinc/81/10/61/1164811061.db2.gz VOWHKPROELMKHN-BBRMVZONSA-N 2 0 283.460 1.844 10 0 CDAERP CC1=CC[NH+](CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001634504956 1166507213 /nfs/dbraw/zinc/50/72/13/1166507213.db2.gz DTOUMHRQLKJCFS-MRXNPFEDSA-N 2 0 293.455 1.875 10 0 CDAERP CN(CCCC[NH+](C)C)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC000900770690 1166951025 /nfs/dbraw/zinc/95/10/25/1166951025.db2.gz YVPZQKCLBPOHPI-HNNXBMFYSA-N 2 0 267.417 1.273 10 0 CDAERP CC(C)=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001571484225 1167598768 /nfs/dbraw/zinc/59/87/68/1167598768.db2.gz BKWZZRMAXPRCEI-LSDHHAIUSA-N 2 0 293.455 1.873 10 0 CDAERP CC[NH2+][C@H](CCN(C)C(=O)[C@@]12CC[N@H+](C1)CCC2)C(C)C ZINC001422677743 1167658189 /nfs/dbraw/zinc/65/81/89/1167658189.db2.gz QPRNMUNBKHFITK-WBVHZDCISA-N 2 0 295.471 1.955 10 0 CDAERP CCCCC[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001566776899 1168416678 /nfs/dbraw/zinc/41/66/78/1168416678.db2.gz NRGDIIUOJODBPE-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC1CC1 ZINC001567081908 1168552323 /nfs/dbraw/zinc/55/23/23/1168552323.db2.gz DLSFCGWJCJUJHY-OCCSQVGLSA-N 2 0 267.417 1.365 10 0 CDAERP CCCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CCn1ccnc1 ZINC001272292962 912716851 /nfs/dbraw/zinc/71/68/51/912716851.db2.gz YVTXOJPOLPRJNQ-HUUCEWRRSA-N 2 0 292.427 1.948 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]CCC3CC3)C2)CC[N@@H+]1C ZINC001567125504 1168580849 /nfs/dbraw/zinc/58/08/49/1168580849.db2.gz SHTHVORMPZDFNC-FVQBIDKESA-N 2 0 293.455 1.565 10 0 CDAERP CC/C=C/CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001567209003 1168621177 /nfs/dbraw/zinc/62/11/77/1168621177.db2.gz VXVGKOXLARCJMM-MUHKLVGJSA-N 2 0 281.444 1.921 10 0 CDAERP CCOCC[N@H+](C)CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001266335475 894428161 /nfs/dbraw/zinc/42/81/61/894428161.db2.gz WYLWGCLPLZLQDB-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)=CC[N@@H+](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001480876908 895065593 /nfs/dbraw/zinc/06/55/93/895065593.db2.gz VNIIJPHFNLNQFP-AWEZNQCLSA-N 2 0 269.433 1.587 10 0 CDAERP CC(C)CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001283101861 895918668 /nfs/dbraw/zinc/91/86/68/895918668.db2.gz ATUONGCNPAMRRC-BZUAXINKSA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)CC[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001267004329 896528960 /nfs/dbraw/zinc/52/89/60/896528960.db2.gz AKPVGYBETLDFPG-CQSZACIVSA-N 2 0 271.449 1.667 10 0 CDAERP CC/C=C/CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001267025427 896589207 /nfs/dbraw/zinc/58/92/07/896589207.db2.gz XWZBJOFMMMQOJE-BWPKMQGJSA-N 2 0 279.428 1.629 10 0 CDAERP CC(C)[C@H](C(=O)N(C)CC[NH2+]CCF)[NH+]1CCCC1 ZINC001267116965 896836533 /nfs/dbraw/zinc/83/65/33/896836533.db2.gz LAMHZJVMVCKWOT-CYBMUJFWSA-N 2 0 273.396 1.124 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)CC[NH2+]C[C@@H]1CCO[C@H](C)C1 ZINC001267451809 897917922 /nfs/dbraw/zinc/91/79/22/897917922.db2.gz SMCAREACSIDNAN-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP Cc1cc(C[NH2+]CCN(C)C(=O)C[NH+]2CCCC2)cs1 ZINC001567606344 1168883046 /nfs/dbraw/zinc/88/30/46/1168883046.db2.gz IOIWTWANYANTTM-UHFFFAOYSA-N 2 0 295.452 1.700 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC[NH+](CCC2CC2)C1 ZINC001481127601 898942931 /nfs/dbraw/zinc/94/29/31/898942931.db2.gz YPLIWPZHGGDQLB-HNNXBMFYSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@H]1CC[C@@H](C[NH2+]CCN(C)C(=O)C2([NH+](C)C)CCC2)O1 ZINC001481239243 899569232 /nfs/dbraw/zinc/56/92/32/899569232.db2.gz NCNDUSWPHZBBRX-KBPBESRZSA-N 2 0 297.443 1.086 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+]CCC(C)(C)C ZINC001268001633 900244707 /nfs/dbraw/zinc/24/47/07/900244707.db2.gz GNWAQLHLUAEPMH-ZDUSSCGKSA-N 2 0 271.449 1.716 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000722391446 901225850 /nfs/dbraw/zinc/22/58/50/901225850.db2.gz KPTGDPFGIRTYHX-NAKRPEOUSA-N 2 0 266.307 1.813 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1CN(C/C=C/Cl)C1 ZINC001481660147 901750539 /nfs/dbraw/zinc/75/05/39/901750539.db2.gz BFSXVWPQPIXTDR-IPBFNNSJSA-N 2 0 299.846 1.660 10 0 CDAERP C[C@@H](CC[NH2+]Cc1ccsc1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268348099 901911653 /nfs/dbraw/zinc/91/16/53/901911653.db2.gz GEBROMGMGZEKAK-GXTWGEPZSA-N 2 0 295.452 1.827 10 0 CDAERP C[C@H](CC[NH2+]CC1=CCCCC1)NC(=O)CC[NH+](C)C ZINC001268396063 901986126 /nfs/dbraw/zinc/98/61/26/901986126.db2.gz HLBKIBLYUJRACP-CQSZACIVSA-N 2 0 281.444 1.923 10 0 CDAERP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001481847319 902213292 /nfs/dbraw/zinc/21/32/92/902213292.db2.gz COGKBWWNZKSNCJ-KBPBESRZSA-N 2 0 299.459 1.238 10 0 CDAERP C[NH+](C)CCC(=O)NC1(C[NH2+]CC2CCC2)CCCC1 ZINC001481906031 902304731 /nfs/dbraw/zinc/30/47/31/902304731.db2.gz UYHDYHYRVWGRDJ-UHFFFAOYSA-N 2 0 281.444 1.757 10 0 CDAERP CCC[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001268550636 902550683 /nfs/dbraw/zinc/55/06/83/902550683.db2.gz ZIQGGYHUMUIVHW-VBROQKIQSA-N 2 0 267.417 1.533 10 0 CDAERP CC(C)[NH2+]C/C=C/CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001268594400 902717348 /nfs/dbraw/zinc/71/73/48/902717348.db2.gz CLACWGUBMJUQIO-LFAOLKIESA-N 2 0 281.444 1.921 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482159368 902777648 /nfs/dbraw/zinc/77/76/48/902777648.db2.gz OIFPKJZTSLQTRN-HUUCEWRRSA-N 2 0 281.444 1.636 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001482160711 902785608 /nfs/dbraw/zinc/78/56/08/902785608.db2.gz JYDFHILCROTZJT-CQSZACIVSA-N 2 0 279.428 1.390 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NC/C=C/C[NH2+]CCC(F)(F)F)C1 ZINC001268625414 902837116 /nfs/dbraw/zinc/83/71/16/902837116.db2.gz HUKVLJSRMODLMX-KXMPLOMGSA-N 2 0 293.333 1.153 10 0 CDAERP COCC[NH2+]C[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001268709152 902998816 /nfs/dbraw/zinc/99/88/16/902998816.db2.gz OOSMENAQIMMLGR-ZDUSSCGKSA-N 2 0 293.411 1.103 10 0 CDAERP COC[C@@H](C)[NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001268823088 903159498 /nfs/dbraw/zinc/15/94/98/903159498.db2.gz XWRDCIPFYAETJA-ILXRZTDVSA-N 2 0 299.459 1.190 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001269166331 903499808 /nfs/dbraw/zinc/49/98/08/903499808.db2.gz VIEWRIHIJXEWAN-GEXIGZQTSA-N 2 0 267.417 1.485 10 0 CDAERP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2[C@@H](C)COC[C@H]2C)CC1 ZINC000924948567 903660166 /nfs/dbraw/zinc/66/01/66/903660166.db2.gz DUISJJHWXSOIIA-MWDXBVQZSA-N 2 0 297.487 1.521 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CCC1 ZINC001269511219 903876694 /nfs/dbraw/zinc/87/66/94/903876694.db2.gz XQDCPMQIBNXAPM-ZIAGYGMSSA-N 2 0 267.417 1.223 10 0 CDAERP CCCC[NH2+]CC1(NC(=O)[C@@H]2CCC[N@@H+]2C)CCCC1 ZINC001269533481 903900600 /nfs/dbraw/zinc/90/06/00/903900600.db2.gz RFHWRHCJXMTCHN-AWEZNQCLSA-N 2 0 281.444 1.899 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@](C)(C[NH2+]CCF)C2CC2)CC1 ZINC001269631740 903998026 /nfs/dbraw/zinc/99/80/26/903998026.db2.gz ZFMZQNQFHLYCFP-CQSZACIVSA-N 2 0 285.407 1.172 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CCC[C@H](CC[NH2+]CCF)C1 ZINC001269800200 904119354 /nfs/dbraw/zinc/11/93/54/904119354.db2.gz ZAKRNPKUNYQGCM-CQSZACIVSA-N 2 0 285.407 1.270 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH2+]C/C=C\Cl ZINC001270371775 904568946 /nfs/dbraw/zinc/56/89/46/904568946.db2.gz LPIFPILNWQWRQB-GJJFQZOLSA-N 2 0 273.808 1.175 10 0 CDAERP CCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001270726556 904993744 /nfs/dbraw/zinc/99/37/44/904993744.db2.gz GZRPCQYNWDHGHF-INMHGKMJSA-N 2 0 295.471 1.955 10 0 CDAERP CCCCC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001567882553 1169039798 /nfs/dbraw/zinc/03/97/98/1169039798.db2.gz OFGGOTUMEBNVDB-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP C[N@H+](CCNC(=[NH2+])NC[C@@H]1CCCO1)C1CCCC1 ZINC000849006246 906583600 /nfs/dbraw/zinc/58/36/00/906583600.db2.gz NRNFYNYBGFGQOA-ZDUSSCGKSA-N 2 0 268.405 1.154 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)NC[C@@H]2CCCC[NH+]2C2CC2)CC[N@@H+]1C ZINC000922206792 921352829 /nfs/dbraw/zinc/35/28/29/921352829.db2.gz RJTIKVLALUZMRB-SNPRPXQTSA-N 2 0 294.443 1.395 10 0 CDAERP CN(CC[N@H+](C)CCCF)C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001482633279 908087757 /nfs/dbraw/zinc/08/77/57/908087757.db2.gz BYMHWDKRGOYXEB-GJZGRUSLSA-N 2 0 299.434 1.753 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]C(C)C ZINC001483027489 908720059 /nfs/dbraw/zinc/72/00/59/908720059.db2.gz FKZBLXWWKWJTCW-IYKSTZQJSA-N 2 0 281.444 1.777 10 0 CDAERP CCCCC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001483093124 909320632 /nfs/dbraw/zinc/32/06/32/909320632.db2.gz NNRZFWGMXBIMFU-PSKZRQQASA-N 2 0 267.417 1.390 10 0 CDAERP C[C@H](C[NH2+]CCC(F)(F)F)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001483116440 909468823 /nfs/dbraw/zinc/46/88/23/909468823.db2.gz JIQIDZRBKBLZTD-NXEZZACHSA-N 2 0 281.322 1.127 10 0 CDAERP CO[C@H](C)C[NH2+]CC[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001568066263 1169131636 /nfs/dbraw/zinc/13/16/36/1169131636.db2.gz LDGSDEZSYIPHPL-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP C[C@@H](CC[NH2+]CCC(F)(F)F)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001497153706 911279967 /nfs/dbraw/zinc/27/99/67/911279967.db2.gz GVMLDULSWIFAGY-WDEREUQCSA-N 2 0 295.349 1.517 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@H]2CCCC[C@@H]2C2CC2)CC1 ZINC000695970595 911571549 /nfs/dbraw/zinc/57/15/49/911571549.db2.gz ULNCCVNWXGUACQ-CVEARBPZSA-N 2 0 265.445 1.968 10 0 CDAERP CC(C)OCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001483637101 912090842 /nfs/dbraw/zinc/09/08/42/912090842.db2.gz RMGWAQBBPBJWHJ-HUUCEWRRSA-N 2 0 297.443 1.086 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@@H](CC[NH2+]CC)C1 ZINC001484550373 915878679 /nfs/dbraw/zinc/87/86/79/915878679.db2.gz STDHDTZZBVDVRH-CYBMUJFWSA-N 2 0 255.406 1.176 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CCC1 ZINC001484638750 915992514 /nfs/dbraw/zinc/99/25/14/915992514.db2.gz HSVYQUBFIUSPAW-AWEZNQCLSA-N 2 0 281.444 1.899 10 0 CDAERP C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]C/C=C/Cl ZINC001485185645 916638069 /nfs/dbraw/zinc/63/80/69/916638069.db2.gz IANOFMOENMFGLE-TXBNAWBVSA-N 2 0 275.824 1.564 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001485187639 916648935 /nfs/dbraw/zinc/64/89/35/916648935.db2.gz DVXTYQKTPALGLH-ZIAGYGMSSA-N 2 0 281.444 1.777 10 0 CDAERP C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH+](C)CC1CC1 ZINC001485312884 916795512 /nfs/dbraw/zinc/79/55/12/916795512.db2.gz JKHPXTCRSBNJPI-HIFRSBDPSA-N 2 0 281.444 1.707 10 0 CDAERP Cc1nc[nH]c1CC(=O)N[C@H]1C[C@H](C[NH2+]CCC2CC2)C1 ZINC001485704584 917187260 /nfs/dbraw/zinc/18/72/60/917187260.db2.gz UBSBNRROAKFVCG-HDJSIYSDSA-N 2 0 290.411 1.545 10 0 CDAERP C[C@H](CCC[NH2+]C/C=C/Cl)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001485714708 917210577 /nfs/dbraw/zinc/21/05/77/917210577.db2.gz LJHRKVVYRLZTNL-FMQXYTONSA-N 2 0 287.835 1.708 10 0 CDAERP CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CCCF ZINC001486247664 920838669 /nfs/dbraw/zinc/83/86/69/920838669.db2.gz JQCGFZVQFUFTAQ-CYBMUJFWSA-N 2 0 297.418 1.268 10 0 CDAERP CC(C)C[N@H+]1CC=C(CNC(=O)C[NH+](C)C2CCC2)CC1 ZINC001486510500 921089827 /nfs/dbraw/zinc/08/98/27/921089827.db2.gz NBIILGQZEOUUHS-UHFFFAOYSA-N 2 0 293.455 1.875 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)[C@H](C)CC[NH+](C)C)CC1 ZINC001140844704 936764020 /nfs/dbraw/zinc/76/40/20/936764020.db2.gz KZHTVZQXUWFYLA-ZIAGYGMSSA-N 2 0 269.433 1.517 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]([NH2+]CCCCCF)C2)C1 ZINC001490946167 936834247 /nfs/dbraw/zinc/83/42/47/936834247.db2.gz OPEFRMPBLNMWQT-KKUMJFAQSA-N 2 0 299.434 1.705 10 0 CDAERP CCC[N@@H+]1CCC[C@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001491117541 936860181 /nfs/dbraw/zinc/86/01/81/936860181.db2.gz IQZHUHBZAUHJLK-LSDHHAIUSA-N 2 0 281.444 1.566 10 0 CDAERP C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2F)C[C@H]1CC[NH3+] ZINC000923430871 923828438 /nfs/dbraw/zinc/82/84/38/923828438.db2.gz LKGICKDSXCLULP-MCIONIFRSA-N 2 0 296.386 1.482 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@H]1CCCC[N@@H+]1CCC1CC1 ZINC001491237158 936881179 /nfs/dbraw/zinc/88/11/79/936881179.db2.gz QSZDOSUGTVSFCQ-MRXNPFEDSA-N 2 0 293.455 1.853 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC1CC(C)(C)C1 ZINC001410419590 925619211 /nfs/dbraw/zinc/61/92/11/925619211.db2.gz DGHGVACOQSHSEH-DZGCQCFKSA-N 2 0 295.471 1.953 10 0 CDAERP CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001568429573 1169284790 /nfs/dbraw/zinc/28/47/90/1169284790.db2.gz NUQOKDGXLJVMJP-GDBMZVCRSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)OCC[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001488689261 926649722 /nfs/dbraw/zinc/64/97/22/926649722.db2.gz KUTBZNYCLYEICL-HNNXBMFYSA-N 2 0 297.443 1.040 10 0 CDAERP CC(C)=CC[NH+]1CC[C@H]1CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001488699477 926672629 /nfs/dbraw/zinc/67/26/29/926672629.db2.gz QLXIOMUPSPGEFG-HNNXBMFYSA-N 2 0 281.444 1.826 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC[N@@H+]1CCCF ZINC001489268949 926848101 /nfs/dbraw/zinc/84/81/01/926848101.db2.gz CMZFEZCYZUUOOO-KFWWJZLASA-N 2 0 299.434 1.799 10 0 CDAERP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C[NH2+]CCCF ZINC001279181289 927095062 /nfs/dbraw/zinc/09/50/62/927095062.db2.gz DTOQBOUIOOZWNV-KBPBESRZSA-N 2 0 297.418 1.126 10 0 CDAERP C[C@H]([NH2+]CCF)[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001490310788 927108831 /nfs/dbraw/zinc/10/88/31/927108831.db2.gz UBGWKCWATCNLNW-UONOGXRCSA-N 2 0 285.407 1.411 10 0 CDAERP CC(C)[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]C[C@@H]1CCOC1 ZINC001438848621 927230287 /nfs/dbraw/zinc/23/02/87/927230287.db2.gz KIWQRNRYXKHTIZ-LSDHHAIUSA-N 2 0 299.459 1.094 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]([NH2+]CC)C2CC2)C1 ZINC001490700157 927310733 /nfs/dbraw/zinc/31/07/33/927310733.db2.gz PIENDQHPIIWKCJ-HUUCEWRRSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)[NH+](CCNC(=O)C=C1CC[NH2+]CC1)C(C)C ZINC000852854378 927894845 /nfs/dbraw/zinc/89/48/45/927894845.db2.gz GRZAWZIXYAQJFS-UHFFFAOYSA-N 2 0 267.417 1.531 10 0 CDAERP CC[NH+](CC)CCN(CCOC)C(=O)C=C1CC[NH2+]CC1 ZINC000852866548 927901609 /nfs/dbraw/zinc/90/16/09/927901609.db2.gz KCVNLQRZHLOYNK-UHFFFAOYSA-N 2 0 297.443 1.113 10 0 CDAERP C[C@H](C1CC1)[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000782183849 937242583 /nfs/dbraw/zinc/24/25/83/937242583.db2.gz AJYFWIFTHYNUPE-TZMCWYRMSA-N 2 0 265.401 1.023 10 0 CDAERP C[N@H+](CCCn1ccnc1)C[C@@H](O)c1ccc(F)cn1 ZINC000799311268 937384025 /nfs/dbraw/zinc/38/40/25/937384025.db2.gz RZTGIIZNKGXWOM-CQSZACIVSA-N 2 0 278.331 1.473 10 0 CDAERP CC[C@H](F)C[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001274025873 931126194 /nfs/dbraw/zinc/12/61/94/931126194.db2.gz OAHBXZZBBDRQBD-ICWYTKJFSA-N 2 0 299.434 1.869 10 0 CDAERP CC(C)[NH2+]C/C=C\CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001274195641 931229116 /nfs/dbraw/zinc/22/91/16/931229116.db2.gz RMLAHKVRLGSPDE-ARJAWSKDSA-N 2 0 299.378 1.551 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)C ZINC001136908317 931474993 /nfs/dbraw/zinc/47/49/93/931474993.db2.gz BTTWXLKWLJKIOP-IHRRRGAJSA-N 2 0 269.433 1.514 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC001143740984 931531558 /nfs/dbraw/zinc/53/15/58/931531558.db2.gz HFLVGYXGGILEIL-OLZOCXBDSA-N 2 0 255.406 1.127 10 0 CDAERP C[C@H](C[NH2+]CC=C(Cl)Cl)NC(=O)C[NH+]1CCCC1 ZINC001275022685 931635650 /nfs/dbraw/zinc/63/56/50/931635650.db2.gz MGIQHAMEKOIMOQ-SNVBAGLBSA-N 2 0 294.226 1.496 10 0 CDAERP CC[C@@H](C[NH+]1CCCC1)NC(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001411784216 932021964 /nfs/dbraw/zinc/02/19/64/932021964.db2.gz KXVCOBZLIUNEIC-KBPBESRZSA-N 2 0 285.407 1.411 10 0 CDAERP CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001412525955 932467403 /nfs/dbraw/zinc/46/74/03/932467403.db2.gz BFKDARQFPOYDIQ-JKSUJKDBSA-N 2 0 295.471 1.907 10 0 CDAERP C[C@H](F)CC[NH2+]CCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001276226731 932662370 /nfs/dbraw/zinc/66/23/70/932662370.db2.gz IUCWTGRSVKYUQU-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP COCC[N@@H+]1CC[C@@H](N[C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000925555432 932903663 /nfs/dbraw/zinc/90/36/63/932903663.db2.gz FYEWRSTVQOGOGQ-KBXIAJHMSA-N 2 0 281.444 1.073 10 0 CDAERP OCCCCC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925654106 932922450 /nfs/dbraw/zinc/92/24/50/932922450.db2.gz PUHWRDKTKSXKSX-LSDHHAIUSA-N 2 0 254.418 1.907 10 0 CDAERP CCO[C@H]1C[C@H]([NH2+]CCN2CCC([NH3+])CC2)C12CCC2 ZINC000925815196 932941842 /nfs/dbraw/zinc/94/18/42/932941842.db2.gz OWHALHWQRJASES-GJZGRUSLSA-N 2 0 281.444 1.347 10 0 CDAERP CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925850999 932945610 /nfs/dbraw/zinc/94/56/10/932945610.db2.gz AZIIGGJMJJLZSO-AVGNSLFASA-N 2 0 268.401 1.696 10 0 CDAERP C[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1ccccn1 ZINC000925847032 932946174 /nfs/dbraw/zinc/94/61/74/932946174.db2.gz ZMEOYTOURYIDMK-HNNXBMFYSA-N 2 0 276.428 1.808 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@]1(C(F)(F)F)CCCN1 ZINC000925855031 932946804 /nfs/dbraw/zinc/94/68/04/932946804.db2.gz NPIXMSKGQBKPIX-AEJSXWLSSA-N 2 0 253.312 1.386 10 0 CDAERP CCCC[N@H+](C)CC1CC[NH+]([C@H]2CCN(OC)C2=O)CC1 ZINC000929294738 933223241 /nfs/dbraw/zinc/22/32/41/933223241.db2.gz DWIHBWZJURKKHW-HNNXBMFYSA-N 2 0 297.443 1.593 10 0 CDAERP CN(CCc1ccns1)C[C@@H]1CCC[N@H+](C)C1 ZINC000929704096 933261397 /nfs/dbraw/zinc/26/13/97/933261397.db2.gz WSYLXWBVJCRAAZ-GFCCVEGCSA-N 2 0 253.415 1.959 10 0 CDAERP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3CC[C@H](C4CC4)O3)C[C@@H]2C1 ZINC000931443455 933563415 /nfs/dbraw/zinc/56/34/15/933563415.db2.gz YHDUHNGVHSIBIY-QKPAOTATSA-N 2 0 264.413 1.828 10 0 CDAERP Cc1cnccc1CCN1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000933734380 933852486 /nfs/dbraw/zinc/85/24/86/933852486.db2.gz RVIYGKJGFYFFJR-CVEARBPZSA-N 2 0 259.397 1.816 10 0 CDAERP CCCCC[N@H+](C)[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001329592993 940595052 /nfs/dbraw/zinc/59/50/52/940595052.db2.gz WPSNGPBYPQSRLJ-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@@H]([NH2+]Cc1cccc(C(N)=O)c1)C1CC[NH2+]CC1 ZINC000400501593 940851045 /nfs/dbraw/zinc/85/10/45/940851045.db2.gz CCFCHYUURXVWIF-LLVKDONJSA-N 2 0 261.369 1.263 10 0 CDAERP CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001276729436 940908427 /nfs/dbraw/zinc/90/84/27/940908427.db2.gz ZHQSSLPNNNZISI-YIYPIFLZSA-N 2 0 267.417 1.031 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H](CO)Cc2ccccc2)C12CCC2 ZINC000405290732 940978862 /nfs/dbraw/zinc/97/88/62/940978862.db2.gz ZUUFTLNEHCCVDM-RBSFLKMASA-N 2 0 260.381 1.450 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]CCCOC[C@@H]2CCCO2)C12CCC2 ZINC000405296552 940979959 /nfs/dbraw/zinc/97/99/59/940979959.db2.gz HAVXXIUXXNVBSO-MJBXVCDLSA-N 2 0 268.401 1.432 10 0 CDAERP CCO[C@@H]1C[N@H+](CCOc2ccccc2C)C[C@H]1C[NH3+] ZINC000405307825 940980821 /nfs/dbraw/zinc/98/08/21/940980821.db2.gz RKIWFCATWYYDHK-GDBMZVCRSA-N 2 0 278.396 1.669 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CN1CCC([NH2+]C2CCOCC2)CC1 ZINC001473792027 970850438 /nfs/dbraw/zinc/85/04/38/970850438.db2.gz FWZIVFVQXLIBCT-MRXNPFEDSA-N 2 0 281.444 1.314 10 0 CDAERP CCN(CC[NH2+]Cc1scnc1C)C(=O)CC[NH+](C)C ZINC001568772400 1169469650 /nfs/dbraw/zinc/46/96/50/1169469650.db2.gz TYTZKQMFYVEEOK-UHFFFAOYSA-N 2 0 298.456 1.341 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@H](C)[N@@H+](C)CC ZINC001282387883 942702787 /nfs/dbraw/zinc/70/27/87/942702787.db2.gz BSTKMUDMOGNAJW-NWDGAFQWSA-N 2 0 261.385 1.123 10 0 CDAERP C[NH+](C)CC1(C(=O)NC[C@H]2C[C@@H]([NH2+]CCCF)C2)CC1 ZINC001316622615 942761786 /nfs/dbraw/zinc/76/17/86/942761786.db2.gz YVGQDQCNHCGAPP-BETUJISGSA-N 2 0 285.407 1.172 10 0 CDAERP CC(C)[NH2+]CCC[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001283260936 942868022 /nfs/dbraw/zinc/86/80/22/942868022.db2.gz PJLVUJPIJNBABY-AWEZNQCLSA-N 2 0 299.459 1.380 10 0 CDAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)CC[NH+]3CC[C@@H](F)C3)CC[C@@H]21 ZINC001362230501 971044045 /nfs/dbraw/zinc/04/40/45/971044045.db2.gz UJUZLDPXMZZKGH-KFWWJZLASA-N 2 0 297.418 1.363 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001264402080 944126822 /nfs/dbraw/zinc/12/68/22/944126822.db2.gz OJDXCFALMMSXAJ-OTVXOJSOSA-N 2 0 281.444 1.613 10 0 CDAERP COCC[NH2+][C@H](C)CN(C)C(=O)Cn1ccnc1C(C)C ZINC001277953724 944203427 /nfs/dbraw/zinc/20/34/27/944203427.db2.gz FKGCTTXRMWGTEB-CYBMUJFWSA-N 2 0 296.415 1.089 10 0 CDAERP CC[N@H+](CCNC(=O)CC[NH+]1CC[C@H](F)C1)C(C)C ZINC001362246669 971067364 /nfs/dbraw/zinc/06/73/64/971067364.db2.gz PYPVCPVCKPIMHI-ZDUSSCGKSA-N 2 0 273.396 1.267 10 0 CDAERP C[C@@H](O)CCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001281741658 944274049 /nfs/dbraw/zinc/27/40/49/944274049.db2.gz UKEURJRYWSHDGA-ZNMIVQPWSA-N 2 0 299.459 1.116 10 0 CDAERP CCC[NH2+]C[C@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001265673891 944465817 /nfs/dbraw/zinc/46/58/17/944465817.db2.gz NRZIFNGOIPBOPR-CQSZACIVSA-N 2 0 281.444 1.851 10 0 CDAERP COCC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001265783716 944508341 /nfs/dbraw/zinc/50/83/41/944508341.db2.gz PDIOCXAGMWLAJZ-UKRRQHHQSA-N 2 0 297.443 1.134 10 0 CDAERP COCCCC[NH2+][C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001265794448 944511537 /nfs/dbraw/zinc/51/15/37/944511537.db2.gz OGAKVATZWHHCHX-CQSZACIVSA-N 2 0 297.443 1.136 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]CC1CCC1 ZINC001278025084 944610974 /nfs/dbraw/zinc/61/09/74/944610974.db2.gz KHAKGQLWJJOTCL-ZDUSSCGKSA-N 2 0 269.433 1.563 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](C[NH2+]CCCCCF)C2)C1 ZINC001266036789 944646073 /nfs/dbraw/zinc/64/60/73/944646073.db2.gz DJJYNWMHETWKGB-GJZGRUSLSA-N 2 0 299.434 1.516 10 0 CDAERP CC[N@@H+]1CCC[C@H](CN[C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC001262202615 946518081 /nfs/dbraw/zinc/51/80/81/946518081.db2.gz YHPNIDGVQLIIRP-HZSPNIEDSA-N 2 0 251.418 1.578 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CC[C@H](C)F)C1 ZINC001479346249 971303912 /nfs/dbraw/zinc/30/39/12/971303912.db2.gz DLYZWZFTBRVBQN-MELADBBJSA-N 2 0 287.423 1.559 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1[C@@H]2CCC[N@H+](CCF)[C@H]2C1(C)C ZINC001479613646 971347032 /nfs/dbraw/zinc/34/70/32/971347032.db2.gz NPKSUYGUQRZMPZ-NWANDNLSSA-N 2 0 299.434 1.513 10 0 CDAERP CCN1CC[C@H]1C(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC001362508892 971353972 /nfs/dbraw/zinc/35/39/72/971353972.db2.gz MUIIVBWOAPSQOD-GJZGRUSLSA-N 2 0 293.386 1.639 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H](C)C1CC[NH+](CC)CC1 ZINC001279104858 947642523 /nfs/dbraw/zinc/64/25/23/947642523.db2.gz OSDAJEIAWFNBAV-CYBMUJFWSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]CCCF)CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001278409753 947729632 /nfs/dbraw/zinc/72/96/32/947729632.db2.gz LCNCUTKMQGGCSH-LSDHHAIUSA-N 2 0 299.434 1.657 10 0 CDAERP C[C@H](C[NH2+]CCF)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001569014407 1169595201 /nfs/dbraw/zinc/59/52/01/1169595201.db2.gz ZYAVZQKXSXUTOR-HIFRSBDPSA-N 2 0 299.434 1.847 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001362667170 971509505 /nfs/dbraw/zinc/50/95/05/971509505.db2.gz QHTHDSZKOBNYSQ-CABCVRRESA-N 2 0 283.460 1.907 10 0 CDAERP C[NH+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001480181832 971615837 /nfs/dbraw/zinc/61/58/37/971615837.db2.gz DGSBASAPTOSCOQ-MQVJKMGUSA-N 2 0 293.455 1.850 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001480220169 971634206 /nfs/dbraw/zinc/63/42/06/971634206.db2.gz JYAGMWCYNSQBHK-BETUJISGSA-N 2 0 255.406 1.365 10 0 CDAERP COCCC[NH2+]C[C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001569084454 1169636194 /nfs/dbraw/zinc/63/61/94/1169636194.db2.gz JFJCGVWCIJKXRF-LSDHHAIUSA-N 2 0 299.459 1.382 10 0 CDAERP CCOCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001480357306 971687029 /nfs/dbraw/zinc/68/70/29/971687029.db2.gz RIVFHUVMQLVBIF-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CCC1CC1 ZINC001480462849 971741678 /nfs/dbraw/zinc/74/16/78/971741678.db2.gz NZQWUHPGYRSVBV-IUODEOHRSA-N 2 0 279.428 1.223 10 0 CDAERP CCCC[NH2+]C[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001480667124 971832395 /nfs/dbraw/zinc/83/23/95/971832395.db2.gz BDRBLRAFYKNXHN-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+]Cc1cncs1 ZINC001480790142 971880238 /nfs/dbraw/zinc/88/02/38/971880238.db2.gz MMMXBLGZSALJJH-LLVKDONJSA-N 2 0 284.429 1.079 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@@](C)(C[NH2+]CCF)C1 ZINC001324817088 953589394 /nfs/dbraw/zinc/58/93/94/953589394.db2.gz BHNVBCYCDBUIRK-AWEZNQCLSA-N 2 0 273.396 1.126 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCN(c2cc[nH+]cc2)C1 ZINC001363726723 953708052 /nfs/dbraw/zinc/70/80/52/953708052.db2.gz MPIWONLWOFGXGC-HIFRSBDPSA-N 2 0 288.395 1.118 10 0 CDAERP CC(C)CC[N@@H+]1CCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001493128186 971954785 /nfs/dbraw/zinc/95/47/85/971954785.db2.gz JUPGDEIDIIMYFT-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1CC1CCC1 ZINC001493131792 971957075 /nfs/dbraw/zinc/95/70/75/971957075.db2.gz KPEWMIIGOYYXEK-CQSZACIVSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)=CC[N@@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001325762655 954063533 /nfs/dbraw/zinc/06/35/33/954063533.db2.gz RMXLXCRROGEANE-GASCZTMLSA-N 2 0 279.428 1.295 10 0 CDAERP C[C@H]1C[C@H](N(C)C(=O)NCCc2cn(C)cn2)CC[N@@H+]1C ZINC001364284855 954421467 /nfs/dbraw/zinc/42/14/67/954421467.db2.gz HNXNEAZEFUJERD-GXTWGEPZSA-N 2 0 293.415 1.087 10 0 CDAERP CC[N@@H+]1CCN(C(=O)NC[C@H]2CC[NH+]2C(C)(C)C)[C@H](C)C1 ZINC001364315256 954456272 /nfs/dbraw/zinc/45/62/72/954456272.db2.gz MPDTXTPJBNTPMG-ZIAGYGMSSA-N 2 0 296.459 1.595 10 0 CDAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]CCCC1CCC1 ZINC001327900758 955105348 /nfs/dbraw/zinc/10/53/48/955105348.db2.gz HVNHIZURZVOYTO-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP COCC[NH2+][C@@H](C)CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001328436790 955295238 /nfs/dbraw/zinc/29/52/38/955295238.db2.gz MMEJGYUGBKYNNR-AWEZNQCLSA-N 2 0 299.459 1.238 10 0 CDAERP Cc1cnc(C[NH2+][C@H](C)CNC(=O)C[N@H+](C)C(C)C)s1 ZINC001491682922 955358541 /nfs/dbraw/zinc/35/85/41/955358541.db2.gz QONJUZRAALYEAE-LLVKDONJSA-N 2 0 298.456 1.386 10 0 CDAERP Cc1ccncc1C[NH2+][C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001491673280 955380805 /nfs/dbraw/zinc/38/08/05/955380805.db2.gz HLGOYRCJGXNKPC-CQSZACIVSA-N 2 0 290.411 1.080 10 0 CDAERP Cc1ccncc1C[NH2+][C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001491673278 955381430 /nfs/dbraw/zinc/38/14/30/955381430.db2.gz HLGOYRCJGXNKPC-AWEZNQCLSA-N 2 0 290.411 1.080 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCC1CCCC1 ZINC001491676030 955383515 /nfs/dbraw/zinc/38/35/15/955383515.db2.gz YNYXQBNDIBSJQL-DZGCQCFKSA-N 2 0 281.444 1.613 10 0 CDAERP CCC(CC)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001491855780 955469832 /nfs/dbraw/zinc/46/98/32/955469832.db2.gz HBWYTQVVUDSFAV-HZPDHXFCSA-N 2 0 295.471 1.812 10 0 CDAERP CC[NH2+]C[C@H](C)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001421721766 955504475 /nfs/dbraw/zinc/50/44/75/955504475.db2.gz CWEJMKZJCCEXIX-SWLSCSKDSA-N 2 0 287.423 1.561 10 0 CDAERP COCCC[NH2+][C@@H](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001492050792 955592695 /nfs/dbraw/zinc/59/26/95/955592695.db2.gz ZJCLACIFCIAPJA-AWEZNQCLSA-N 2 0 297.443 1.136 10 0 CDAERP CCC1([NH2+]CCF)CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001421952283 955673412 /nfs/dbraw/zinc/67/34/12/955673412.db2.gz NTHKYVBFJFWGMH-UHFFFAOYSA-N 2 0 287.423 1.657 10 0 CDAERP COCCC[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001329102274 955684886 /nfs/dbraw/zinc/68/48/86/955684886.db2.gz CVSAOYMQRMPFEQ-KBPBESRZSA-N 2 0 299.459 1.380 10 0 CDAERP CCC1([NH2+]C[C@H](C)OC)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001422040067 955711860 /nfs/dbraw/zinc/71/18/60/955711860.db2.gz QSSPMDIAGMNRNC-AWEZNQCLSA-N 2 0 299.459 1.334 10 0 CDAERP CN(CC[N@H+](C)CCC1CC1)C(=O)C12CC[NH+](CC1)C2 ZINC001422227144 955864268 /nfs/dbraw/zinc/86/42/68/955864268.db2.gz LYDVQMCSUKCTRB-UHFFFAOYSA-N 2 0 279.428 1.273 10 0 CDAERP CO[C@@H]1CC[C@H]([NH+]2CCC([NH2+]C3CCOCC3)CC2)C1 ZINC001365328190 955902152 /nfs/dbraw/zinc/90/21/52/955902152.db2.gz CGHNAALGMPLZSV-JKSUJKDBSA-N 2 0 282.428 1.787 10 0 CDAERP CN(C[C@H]1CC[N@@H+]1CCOC1CCC1)C(=O)CC[NH+](C)C ZINC001365792699 956366422 /nfs/dbraw/zinc/36/64/22/956366422.db2.gz RGLMKQFIPWEPEE-CQSZACIVSA-N 2 0 297.443 1.040 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@H]2CC[NH+]2CC2CCC2)C1 ZINC001365797501 956371447 /nfs/dbraw/zinc/37/14/47/956371447.db2.gz XJRBOBGTOTUIMO-GDBMZVCRSA-N 2 0 293.455 1.661 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]CC2CCC2)C2CC2)C1 ZINC001423060835 956551795 /nfs/dbraw/zinc/55/17/95/956551795.db2.gz OBVUXNPFJBCMPQ-LSDHHAIUSA-N 2 0 279.428 1.223 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@@H]([NH2+]CC2CC2)C1 ZINC001366151604 956602637 /nfs/dbraw/zinc/60/26/37/956602637.db2.gz UKLPFWNUFDQMHP-QLFBSQMISA-N 2 0 279.428 1.508 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@]12CCC[C@@H]1[NH+](CCCF)CC2 ZINC001423366927 956742300 /nfs/dbraw/zinc/74/23/00/956742300.db2.gz KZAQLSNJACVFNU-GOEBONIOSA-N 2 0 299.434 1.801 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCCF ZINC001424055473 957102212 /nfs/dbraw/zinc/10/22/12/957102212.db2.gz SYBDYMRXLSCFLR-LSDHHAIUSA-N 2 0 299.434 1.753 10 0 CDAERP CCCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001316990119 957188023 /nfs/dbraw/zinc/18/80/23/957188023.db2.gz DWLAOADYDKIWJV-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CCOCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001317081062 957256516 /nfs/dbraw/zinc/25/65/16/957256516.db2.gz JXACRLHTDBAJMO-RBSFLKMASA-N 2 0 297.443 1.134 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@H](C)CC)C1 ZINC001317124660 957288693 /nfs/dbraw/zinc/28/86/93/957288693.db2.gz UBCPFISWRGWVEV-MCIONIFRSA-N 2 0 269.433 1.611 10 0 CDAERP CC/C=C/CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001317214164 957345696 /nfs/dbraw/zinc/34/56/96/957345696.db2.gz NNWHZKOBMFAFHL-IQZFGARZSA-N 2 0 291.439 1.341 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001367080537 957392835 /nfs/dbraw/zinc/39/28/35/957392835.db2.gz YUJCXHKDIVFCTO-UONOGXRCSA-N 2 0 287.423 1.609 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC=C(C)C)C[C@@H]1C ZINC001332045097 957412965 /nfs/dbraw/zinc/41/29/65/957412965.db2.gz DPKBSXNZHMHEOH-GJZGRUSLSA-N 2 0 281.444 1.873 10 0 CDAERP CC[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001332116032 957439244 /nfs/dbraw/zinc/43/92/44/957439244.db2.gz GSUPOVBSZZTIOU-HIFRSBDPSA-N 2 0 267.417 1.460 10 0 CDAERP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)C[C@@H]1CCCCO1 ZINC001425083926 957465228 /nfs/dbraw/zinc/46/52/28/957465228.db2.gz YWTUEEMQFQZGRP-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CCC[NH2+][C@@H](CCN(C)C(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001425166658 957478382 /nfs/dbraw/zinc/47/83/82/957478382.db2.gz USFWYCAFUVIPMK-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001317469574 957500403 /nfs/dbraw/zinc/50/04/03/957500403.db2.gz GRQFUWNKOUWOMA-ZDUSSCGKSA-N 2 0 255.406 1.176 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCC[NH+]2CCCCCF)C1 ZINC001317514634 957524452 /nfs/dbraw/zinc/52/44/52/957524452.db2.gz CMEYQFSCUOSMOF-HUUCEWRRSA-N 2 0 299.434 1.659 10 0 CDAERP C[C@H](F)CC[N@H+](C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001425435105 957533399 /nfs/dbraw/zinc/53/33/99/957533399.db2.gz YAQZESJAMAUKGM-AWEZNQCLSA-N 2 0 299.434 1.753 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+](CCCCCF)C2)C1 ZINC001317534377 957534914 /nfs/dbraw/zinc/53/49/14/957534914.db2.gz KCWUHTHGCOHVBD-CABCVRRESA-N 2 0 299.434 1.516 10 0 CDAERP CO[C@@H]1CC[C@@H]([NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC001332420942 957557007 /nfs/dbraw/zinc/55/70/07/957557007.db2.gz NTZFYQXYIZFLRA-POQQGIQPSA-N 2 0 252.402 1.920 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]CCC1CC1 ZINC001317593127 957588673 /nfs/dbraw/zinc/58/86/73/957588673.db2.gz OVARATUFFRQSJA-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP CN(CC[NH2+]Cc1ccns1)C(=O)CCC[NH+](C)C ZINC001317635081 957614811 /nfs/dbraw/zinc/61/48/11/957614811.db2.gz VFWDUOWMSOVHMC-UHFFFAOYSA-N 2 0 284.429 1.033 10 0 CDAERP C[C@@H]1[C@H]([NH2+]Cc2cncs2)CCN1C(=O)CC[NH+](C)C ZINC001425878639 957632925 /nfs/dbraw/zinc/63/29/25/957632925.db2.gz HBZCVPGVCFGMKL-DGCLKSJQSA-N 2 0 296.440 1.174 10 0 CDAERP CC[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CCC(C)C ZINC001367123189 957693217 /nfs/dbraw/zinc/69/32/17/957693217.db2.gz GGEOHHDKKCODGK-GJZGRUSLSA-N 2 0 283.460 1.859 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001367222669 957843125 /nfs/dbraw/zinc/84/31/25/957843125.db2.gz MULVGKNNZZRKHJ-MGPQQGTHSA-N 2 0 287.423 1.655 10 0 CDAERP CC[NH+]1CCC(C2(NC(=O)C[N@H+](C)C(C)C)CC2)CC1 ZINC001426259390 957864277 /nfs/dbraw/zinc/86/42/77/957864277.db2.gz DYXNZZABZDZFKK-UHFFFAOYSA-N 2 0 281.444 1.707 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2ncc[nH]2)CC1 ZINC001332863599 957896611 /nfs/dbraw/zinc/89/66/11/957896611.db2.gz XJVVJMBXVCXHAW-GFCCVEGCSA-N 2 0 293.415 1.051 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CCNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001480806867 958010416 /nfs/dbraw/zinc/01/04/16/958010416.db2.gz RQHVPLWCOUKPQX-RDJZCZTQSA-N 2 0 293.455 1.923 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]([C@H](C)[NH2+]CC2CC2)C1 ZINC001367456892 958027468 /nfs/dbraw/zinc/02/74/68/958027468.db2.gz WPHNESCSTBGUFJ-HOCLYGCPSA-N 2 0 295.471 1.953 10 0 CDAERP CCC[NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCCC1 ZINC001318666719 958219203 /nfs/dbraw/zinc/21/92/03/958219203.db2.gz UXFWTJFWZIVCLF-UHFFFAOYSA-N 2 0 267.417 1.511 10 0 CDAERP C[C@](C[NH2+]CCF)(NC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001318731131 958250664 /nfs/dbraw/zinc/25/06/64/958250664.db2.gz YJENIEHEEBDKIU-MRXNPFEDSA-N 2 0 299.434 1.706 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC(CC[NH2+]CC2CC2)CC1 ZINC001318906932 958289349 /nfs/dbraw/zinc/28/93/49/958289349.db2.gz JRPKFKUGJLNENI-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP CCC[NH2+]CCC1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001318915786 958301024 /nfs/dbraw/zinc/30/10/24/958301024.db2.gz WRZUAJGMQVLUKT-HNNXBMFYSA-N 2 0 295.471 1.957 10 0 CDAERP CC[N@H+]1CC=C(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001333456861 958349888 /nfs/dbraw/zinc/34/98/88/958349888.db2.gz DRVIGPZTBLXXFD-ZIAGYGMSSA-N 2 0 279.428 1.627 10 0 CDAERP C[C@H](CNC(=O)C1CC[NH+](C)CC1)C[NH2+]C/C=C/Cl ZINC001319237947 958450195 /nfs/dbraw/zinc/45/01/95/958450195.db2.gz LHZXVQHWEZAALY-UXONFWTHSA-N 2 0 287.835 1.423 10 0 CDAERP CCC[N@@H+]1CCCC[C@H]1C(=O)NCC12CC(C1)C[NH2+]2 ZINC001333639570 958469986 /nfs/dbraw/zinc/46/99/86/958469986.db2.gz KOFXXFCFJMQUJD-OWYJLGKBSA-N 2 0 265.401 1.119 10 0 CDAERP CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1CC ZINC001367928906 958480292 /nfs/dbraw/zinc/48/02/92/958480292.db2.gz ORKHAXLLRICKGT-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H](C[NH2+]CCC1CC1)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001319460372 958575985 /nfs/dbraw/zinc/57/59/85/958575985.db2.gz KWENBNBKVLOGEF-XJKSGUPXSA-N 2 0 293.455 1.565 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CC2CC2)C1 ZINC001368187278 958691362 /nfs/dbraw/zinc/69/13/62/958691362.db2.gz PWLPPEQSFCNCTO-DOTOQJQBSA-N 2 0 293.455 1.709 10 0 CDAERP CC[C@H](C(=O)N1CCCC[C@H]1CC[NH2+]CCCO)[NH+](C)C ZINC001319768806 958719101 /nfs/dbraw/zinc/71/91/01/958719101.db2.gz WNQPEZYATWGTAB-LSDHHAIUSA-N 2 0 299.459 1.070 10 0 CDAERP COCC[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C(C)C ZINC001319928745 958793478 /nfs/dbraw/zinc/79/34/78/958793478.db2.gz NBLVJKZEXMEKTC-AWEZNQCLSA-N 2 0 299.459 1.238 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CCO1 ZINC001368506421 958903182 /nfs/dbraw/zinc/90/31/82/958903182.db2.gz BYGDSCTZSUUXCM-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP CCC[NH2+]C1(C)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001368663501 959023630 /nfs/dbraw/zinc/02/36/30/959023630.db2.gz JYELSNYAEGTIFL-CQSZACIVSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCC(C)(C)C ZINC001368748557 959103834 /nfs/dbraw/zinc/10/38/34/959103834.db2.gz MMRWLAJPMGXUAI-KBPBESRZSA-N 2 0 283.460 1.859 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC2CCC2)[C@@H]1C ZINC001368794732 959131729 /nfs/dbraw/zinc/13/17/29/959131729.db2.gz YQHOVUIBADSUKT-HIFRSBDPSA-N 2 0 281.444 1.707 10 0 CDAERP Cc1nocc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001368919914 959250737 /nfs/dbraw/zinc/25/07/37/959250737.db2.gz ZQYHVWMDQFCLBV-NWDGAFQWSA-N 2 0 294.399 1.062 10 0 CDAERP CC[N@H+](C)[C@@H](C)CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001368974586 959347812 /nfs/dbraw/zinc/34/78/12/959347812.db2.gz CVUQXCMIORAQDX-WFASDCNBSA-N 2 0 287.423 1.655 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(CC)CC[NH2+]CC2CC2)C1 ZINC001320819684 959408881 /nfs/dbraw/zinc/40/88/81/959408881.db2.gz KNAZOKRNQJYDCS-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001369133551 959478653 /nfs/dbraw/zinc/47/86/53/959478653.db2.gz NSZYCIUSQKVROW-QKDCVEJESA-N 2 0 279.428 1.175 10 0 CDAERP CC(C)C[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C(C)(C)C ZINC001369549944 959754361 /nfs/dbraw/zinc/75/43/61/959754361.db2.gz GRKHPUHJPJGGIP-CQSZACIVSA-N 2 0 283.460 1.859 10 0 CDAERP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)CCC12CC(C1)C[NH2+]2 ZINC001335789956 960025074 /nfs/dbraw/zinc/02/50/74/960025074.db2.gz YTSJBIIABNEBCM-DNCHLWJUSA-N 2 0 265.401 1.152 10 0 CDAERP C[C@@H](C[NH2+]CC1=CCCCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001321968253 960038376 /nfs/dbraw/zinc/03/83/76/960038376.db2.gz IRGWCBAHRUAOAU-AWEZNQCLSA-N 2 0 293.455 1.923 10 0 CDAERP CCc1ccccc1C[NH2+][C@H](C)CNC(=O)CC[NH+](C)C ZINC001371356783 972484630 /nfs/dbraw/zinc/48/46/30/972484630.db2.gz ZBRUPVSODSYHMY-CQSZACIVSA-N 2 0 291.439 1.795 10 0 CDAERP CCC(CC)C[NH2+][C@@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001371363110 972489763 /nfs/dbraw/zinc/48/97/63/972489763.db2.gz KVAGXBYEPVFZRG-KGLIPLIRSA-N 2 0 283.460 1.859 10 0 CDAERP CC[C@@H](C)C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001322648568 960286982 /nfs/dbraw/zinc/28/69/82/960286982.db2.gz OKRFVYYQFFAAJZ-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP CCC[NH2+]C1(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001323617472 960864259 /nfs/dbraw/zinc/86/42/59/960864259.db2.gz XTESHQQDYMCLRU-BETUJISGSA-N 2 0 267.417 1.508 10 0 CDAERP CCOCC[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001560238582 960899698 /nfs/dbraw/zinc/89/96/98/960899698.db2.gz SCGSORFZFYCFDQ-GASCZTMLSA-N 2 0 252.402 1.831 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2C[C@]3(C)C[NH+](C)C[C@]3(C)C2)C1 ZINC001418714447 960939241 /nfs/dbraw/zinc/93/92/41/960939241.db2.gz RQWQMSGJKLOZDO-CWRNSKLLSA-N 2 0 279.428 1.128 10 0 CDAERP CC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@H]1C ZINC001418806306 961047859 /nfs/dbraw/zinc/04/78/59/961047859.db2.gz HUBWEPXQCYTZHH-ILXRZTDVSA-N 2 0 281.444 1.706 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC[C@@H]2CC[NH+](C(C)C)C2)CC[N@@H+]1C ZINC001418896893 961142899 /nfs/dbraw/zinc/14/28/99/961142899.db2.gz OQOIBWOEDDDANS-OWCLPIDISA-N 2 0 295.471 1.953 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCOC)C[C@H]1C ZINC001324096447 961160887 /nfs/dbraw/zinc/16/08/87/961160887.db2.gz BCKYUOBJGOWSFU-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cncs2)C1 ZINC001419425670 961684688 /nfs/dbraw/zinc/68/46/88/961684688.db2.gz XRCIDIWEPXFXJI-HAQNSBGRSA-N 2 0 296.440 1.222 10 0 CDAERP C[C@H](NC(=O)CC[NH+](C)C)[C@H]1CCC[N@H+](CCCF)C1 ZINC001419630571 961888036 /nfs/dbraw/zinc/88/80/36/961888036.db2.gz GKGOKRVIGIITTO-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC1CC(C)(C)C1 ZINC001419827481 962138056 /nfs/dbraw/zinc/13/80/56/962138056.db2.gz PFAKZKVURJQTJL-GXTWGEPZSA-N 2 0 281.444 1.611 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001436365571 962210203 /nfs/dbraw/zinc/21/02/03/962210203.db2.gz NHDCLJYHGBICBV-BYNSBNAKSA-N 2 0 281.444 1.469 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH2+]CCC(F)(F)F ZINC001419943613 962264705 /nfs/dbraw/zinc/26/47/05/962264705.db2.gz ZTFXNYZTFFNHKE-JTQLQIEISA-N 2 0 283.338 1.373 10 0 CDAERP C[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)[NH2+]CC1CCC1 ZINC001420094422 962466119 /nfs/dbraw/zinc/46/61/19/962466119.db2.gz LGVPFSVPHJSKBJ-IACUBPJLSA-N 2 0 290.411 1.798 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001436949231 962520720 /nfs/dbraw/zinc/52/07/20/962520720.db2.gz JQWDRUBCCKIYCX-APIJFGDWSA-N 2 0 297.418 1.313 10 0 CDAERP C[C@@H](C[NH2+]Cc1cccc(Cl)c1)NC(=O)CC[NH+](C)C ZINC001420462006 962935661 /nfs/dbraw/zinc/93/56/61/962935661.db2.gz HWTMTWQWVVTMGD-LBPRGKRZSA-N 2 0 297.830 1.886 10 0 CDAERP C[NH+](C)CCC(=O)NCC[N@H+](C)Cc1cccc(Cl)c1 ZINC001437515681 962982833 /nfs/dbraw/zinc/98/28/33/962982833.db2.gz IMBOFNAPTCLWPX-UHFFFAOYSA-N 2 0 297.830 1.840 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CC[NH+](CCF)C1 ZINC001420525573 963008225 /nfs/dbraw/zinc/00/82/25/963008225.db2.gz DGDUEYJNPSTWEH-KBPBESRZSA-N 2 0 285.407 1.268 10 0 CDAERP CCC[N@H+](CCNC(=O)C(C)(C)n1cnc(C)c1)C1CC1 ZINC001420658153 963165398 /nfs/dbraw/zinc/16/53/98/963165398.db2.gz LJOBSOXXHGYZIB-UHFFFAOYSA-N 2 0 292.427 1.917 10 0 CDAERP COCC[N@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001420673172 963174686 /nfs/dbraw/zinc/17/46/86/963174686.db2.gz HCDMYEGLIZGTMP-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP C[C@@H]([NH2+]CCF)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001437855220 963211221 /nfs/dbraw/zinc/21/12/21/963211221.db2.gz MCINTDQOJZIDJW-TZMCWYRMSA-N 2 0 285.407 1.124 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NCC[C@H]2CC[NH+](CCCF)C2)C1 ZINC001437938535 963251720 /nfs/dbraw/zinc/25/17/20/963251720.db2.gz JHCMHIUJPXKPGW-CABCVRRESA-N 2 0 299.434 1.516 10 0 CDAERP CCCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001420811494 963263965 /nfs/dbraw/zinc/26/39/65/963263965.db2.gz NUEWDJGEHOXLPU-CVEARBPZSA-N 2 0 293.455 1.804 10 0 CDAERP CCC[N@H+](C)CC(=O)NC1C[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC001438087006 963316787 /nfs/dbraw/zinc/31/67/87/963316787.db2.gz AMNKECNRIMLUOP-KFWWJZLASA-N 2 0 293.455 1.565 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001420882427 963328326 /nfs/dbraw/zinc/32/83/26/963328326.db2.gz FDFGJAUYXRAJNE-CABCVRRESA-N 2 0 281.444 1.565 10 0 CDAERP CCC[N@H+](C)CCC(=O)NCC1C[NH+](CC2CCCC2)C1 ZINC001438157924 963345029 /nfs/dbraw/zinc/34/50/29/963345029.db2.gz JDXYFXFBUSEDQQ-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)[NH2+]Cc1ocnc1C ZINC001438320575 963418628 /nfs/dbraw/zinc/41/86/28/963418628.db2.gz VEFRKCZJADSGMO-CHWSQXEVSA-N 2 0 296.415 1.308 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@]1(C)CC[N@H+](CC)C1 ZINC001421209686 963501227 /nfs/dbraw/zinc/50/12/27/963501227.db2.gz PNKCEUKYAUXUAF-GXTWGEPZSA-N 2 0 273.396 1.267 10 0 CDAERP C[C@H](C[NH2+]Cc1ccsc1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001438635903 963508172 /nfs/dbraw/zinc/50/81/72/963508172.db2.gz MHUNXRMEJSFGKG-OCCSQVGLSA-N 2 0 295.452 1.779 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]C(C)C)C(C)C ZINC001438796046 963554798 /nfs/dbraw/zinc/55/47/98/963554798.db2.gz DRGWWXFLOATGJA-CABCVRRESA-N 2 0 283.460 2.000 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)C(C)C ZINC001438836077 963564597 /nfs/dbraw/zinc/56/45/97/963564597.db2.gz CVUXYTORJDRRFY-HUUCEWRRSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@H](CN(C)C/C=C\Cl)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001439313694 963717347 /nfs/dbraw/zinc/71/73/47/963717347.db2.gz PWIAANJCTLVLSV-OXTPZFROSA-N 2 0 273.808 1.270 10 0 CDAERP CC(C)C[N@H+](C)C[C@H](C)NC(=O)CC[C@H]1CCC[NH+]1C ZINC001439335831 963726864 /nfs/dbraw/zinc/72/68/64/963726864.db2.gz ZEWPMJPKUNNOAV-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CCC[N@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001439409285 963755099 /nfs/dbraw/zinc/75/50/99/963755099.db2.gz POJFQDNXYYFVRS-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001439786264 963860352 /nfs/dbraw/zinc/86/03/52/963860352.db2.gz YKJIXSBHPXFHCX-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001439971783 963906497 /nfs/dbraw/zinc/90/64/97/963906497.db2.gz KWTLPMQBQZPBDX-LBPRGKRZSA-N 2 0 291.386 1.420 10 0 CDAERP C[C@H]1C[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CCC1CC1 ZINC001440645986 964126901 /nfs/dbraw/zinc/12/69/01/964126901.db2.gz IBGWNTBPKGZYSL-ZFWWWQNUSA-N 2 0 281.444 1.707 10 0 CDAERP C[NH+](C)CCc1cccc(C(=O)NCC[NH+]2CCCC2)c1 ZINC001440722662 964147346 /nfs/dbraw/zinc/14/73/46/964147346.db2.gz NAHHLSSEUNSRTK-UHFFFAOYSA-N 2 0 289.423 1.616 10 0 CDAERP CC(C)[NH2+]C1CC[NH+](CC2CCC(O)CC2)CC1 ZINC001344042055 964217558 /nfs/dbraw/zinc/21/75/58/964217558.db2.gz YSGADAVXMUDBFE-UHFFFAOYSA-N 2 0 254.418 2.000 10 0 CDAERP CC(C)[C@H](CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CC1 ZINC001441091893 964358810 /nfs/dbraw/zinc/35/88/10/964358810.db2.gz OYBAFGYHMFPRSP-CVEARBPZSA-N 2 0 295.471 1.811 10 0 CDAERP CC[NH2+][C@H](CCN(C)C(=O)C[N@H+](C)C(C)C)C(C)C ZINC001441095646 964360822 /nfs/dbraw/zinc/36/08/22/964360822.db2.gz CIWDUHOAZHBYGT-CQSZACIVSA-N 2 0 271.449 1.809 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CCCF)C1)[NH+]1CCCC1 ZINC001441129550 964378487 /nfs/dbraw/zinc/37/84/87/964378487.db2.gz RFOKCANAAWJOJV-GJZGRUSLSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)C[NH2+][C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001441381703 964489107 /nfs/dbraw/zinc/48/91/07/964489107.db2.gz CXIHIAXBTYDLAS-KKUMJFAQSA-N 2 0 281.444 1.754 10 0 CDAERP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001441600174 964612167 /nfs/dbraw/zinc/61/21/67/964612167.db2.gz VZQBGKULIIATTG-KGLIPLIRSA-N 2 0 299.459 1.190 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CCCCN1C/C=C/Cl ZINC001441649313 964633982 /nfs/dbraw/zinc/63/39/82/964633982.db2.gz YYNPTTZWDTWMOS-DYLGSBMWSA-N 2 0 299.846 1.805 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@H]1CCCCN1C/C=C\Cl ZINC001441649308 964634356 /nfs/dbraw/zinc/63/43/56/964634356.db2.gz YYNPTTZWDTWMOS-BRLPQQTGSA-N 2 0 299.846 1.805 10 0 CDAERP Cc1cc(NC(=O)NCCNc2cc[nH+]cc2)cc(C)n1 ZINC001345354089 964677181 /nfs/dbraw/zinc/67/71/81/964677181.db2.gz GTFQJBOIQWWBET-UHFFFAOYSA-N 2 0 285.351 1.171 10 0 CDAERP C[C@H](NC(=O)[C@@H]1CCCC[C@H]1[NH3+])C(C)(C)C[NH+](C)C ZINC001346104650 964925418 /nfs/dbraw/zinc/92/54/18/964925418.db2.gz CPMKKPQIEZUPHA-YNEHKIRRSA-N 2 0 269.433 1.596 10 0 CDAERP C[N@H+](C/C=C/Cl)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001442218750 964928641 /nfs/dbraw/zinc/92/86/41/964928641.db2.gz URALPGFNQJDPND-SZBGIYDQSA-N 2 0 299.846 1.613 10 0 CDAERP CCC[N@H+](C)CC(=O)NCC[NH+](C)CC1CC(C)(C)C1 ZINC001442584584 965126738 /nfs/dbraw/zinc/12/67/38/965126738.db2.gz TXHSBOMJKUVQKC-UHFFFAOYSA-N 2 0 283.460 1.812 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@]12CC[NH+](C1)CCC2)CCC(C)C ZINC001442743495 965197103 /nfs/dbraw/zinc/19/71/03/965197103.db2.gz FJRQSTVUNPXDRU-KRWDZBQOSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@H](F)CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001442803303 965223976 /nfs/dbraw/zinc/22/39/76/965223976.db2.gz UNEZCQNFYINNCD-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001442909862 965274569 /nfs/dbraw/zinc/27/45/69/965274569.db2.gz SRCVPDLMFUBLNZ-CABCVRRESA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001444167007 965748408 /nfs/dbraw/zinc/74/84/08/965748408.db2.gz YXPGJAZZQVIBCY-LSDHHAIUSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001445627278 966260132 /nfs/dbraw/zinc/26/01/32/966260132.db2.gz JBQSTERLDTVZES-KGLIPLIRSA-N 2 0 299.459 1.238 10 0 CDAERP [NH3+]CCCCCCNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC001349121046 966272221 /nfs/dbraw/zinc/27/22/21/966272221.db2.gz ZOAYPWZNHXLQKD-CQSZACIVSA-N 2 0 280.416 1.161 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001446524547 966570039 /nfs/dbraw/zinc/57/00/39/966570039.db2.gz HVVMVXPFGULBCJ-BBRMVZONSA-N 2 0 299.434 1.799 10 0 CDAERP CO[C@@H](C)C[NH2+]C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001447093678 966698705 /nfs/dbraw/zinc/69/87/05/966698705.db2.gz QGKAYETWDBGQRX-KKUMJFAQSA-N 2 0 299.459 1.238 10 0 CDAERP CCC[N@@H+]1CCCC[C@H]1C(=O)NC12CC[NH+](CC1)C2 ZINC001350837277 966776305 /nfs/dbraw/zinc/77/63/05/966776305.db2.gz YVTRVVNXEIWFAO-ZDUSSCGKSA-N 2 0 265.401 1.215 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CCCF)CC2(C)C)CC1 ZINC001448382668 967089427 /nfs/dbraw/zinc/08/94/27/967089427.db2.gz FJLNCAXKPFFBLX-CYBMUJFWSA-N 2 0 299.434 1.514 10 0 CDAERP CN(C(=O)CC[NH+](C)C)C1C[NH+](CCC(C)(C)C)C1 ZINC001569498455 1169901992 /nfs/dbraw/zinc/90/19/92/1169901992.db2.gz JFWDBUJZYOUGPU-UHFFFAOYSA-N 2 0 269.433 1.517 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccns1 ZINC001448779340 967251754 /nfs/dbraw/zinc/25/17/54/967251754.db2.gz QUQCYEVXGPZAIN-GFCCVEGCSA-N 2 0 298.456 1.420 10 0 CDAERP CN(C(=[NH2+])NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)C1CC1 ZINC000849045616 969431931 /nfs/dbraw/zinc/43/19/31/969431931.db2.gz DGAOCYFTIDTNKS-ZBFHGGJFSA-N 2 0 286.423 1.950 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001465027082 969841598 /nfs/dbraw/zinc/84/15/98/969841598.db2.gz AGWDSSPQEFLJAB-TZMCWYRMSA-N 2 0 267.417 1.175 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)[C@H](C)CC[NH+](C)C ZINC001466927231 970013855 /nfs/dbraw/zinc/01/38/55/970013855.db2.gz BILAVVPCOMOJPZ-CYBMUJFWSA-N 2 0 257.422 1.374 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC001361799450 970542909 /nfs/dbraw/zinc/54/29/09/970542909.db2.gz UPAPJLIIIZCJPC-GJZGRUSLSA-N 2 0 299.459 1.143 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)[N@H+](C)C1CC1 ZINC001361897968 970654944 /nfs/dbraw/zinc/65/49/44/970654944.db2.gz BCVWZCKPAAESBK-UMVBOHGHSA-N 2 0 281.444 1.706 10 0 CDAERP CCCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CN(C)CCO1 ZINC001495553452 972536423 /nfs/dbraw/zinc/53/64/23/972536423.db2.gz WYFYOVZNZVUTEI-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]C/C=C/Cl)C1 ZINC001371514877 972537126 /nfs/dbraw/zinc/53/71/26/972537126.db2.gz OZOQPCDBQITDLG-KVOPJGFESA-N 2 0 285.819 1.414 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)C[NH2+]CCC(F)(F)F)[NH+](C)C ZINC001495691381 972597416 /nfs/dbraw/zinc/59/74/16/972597416.db2.gz NUALPQFMBVYVQK-WDEREUQCSA-N 2 0 297.365 1.621 10 0 CDAERP C[C@@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CCC1CC1 ZINC001371830335 972651558 /nfs/dbraw/zinc/65/15/58/972651558.db2.gz GLLXTICRVJXGSB-KGLIPLIRSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cncs1 ZINC001371885753 972670629 /nfs/dbraw/zinc/67/06/29/972670629.db2.gz XRXUDRCLUIYGPZ-NWDGAFQWSA-N 2 0 296.440 1.079 10 0 CDAERP C[C@H](C[NH2+]CCF)N(C)C(=O)CCC[NH+]1CCCCC1 ZINC001496232487 972849686 /nfs/dbraw/zinc/84/96/86/972849686.db2.gz IYJHBRIRIUPRSR-CQSZACIVSA-N 2 0 287.423 1.659 10 0 CDAERP CC(C)[NH2+][C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001496563148 972973054 /nfs/dbraw/zinc/97/30/54/972973054.db2.gz XVSQUOXAYVTNNC-CABCVRRESA-N 2 0 281.444 1.467 10 0 CDAERP CC[NH2+][C@H](CNC(=O)[C@@H](CC)[NH+](C)C)c1ccccc1 ZINC001373067159 973247113 /nfs/dbraw/zinc/24/71/13/973247113.db2.gz SOKKWTHWBZYJPI-HUUCEWRRSA-N 2 0 277.412 1.794 10 0 CDAERP CO[C@@H](C)C[NH2+]CC[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001497276464 973271799 /nfs/dbraw/zinc/27/17/99/973271799.db2.gz MTXFHOQWICEMSF-KGLIPLIRSA-N 2 0 299.459 1.238 10 0 CDAERP C[C@@H](CC[NH2+]Cc1nccs1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001497324316 973288854 /nfs/dbraw/zinc/28/88/54/973288854.db2.gz UMGFZQAITZINPJ-NWDGAFQWSA-N 2 0 296.440 1.079 10 0 CDAERP CCN(CC[NH2+]C[C@@H](C)O)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001497465111 973358106 /nfs/dbraw/zinc/35/81/06/973358106.db2.gz UWPOJFUMULNFRD-HUUCEWRRSA-N 2 0 299.459 1.070 10 0 CDAERP CCN(CC[NH2+]CC[C@H](C)F)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001497490684 973367617 /nfs/dbraw/zinc/36/76/17/973367617.db2.gz HJYFFWYIHPKCCX-HOCLYGCPSA-N 2 0 299.434 1.659 10 0 CDAERP CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc1ccccn1)[NH+](C)C ZINC001497678560 973461555 /nfs/dbraw/zinc/46/15/55/973461555.db2.gz FFOBXILMWFGCKT-LZNQSLFOSA-N 2 0 290.411 1.184 10 0 CDAERP CC(C)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001417899881 973462485 /nfs/dbraw/zinc/46/24/85/973462485.db2.gz QGMPJXUZTKRRDX-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP C[NH+](C)C1(C(=O)NCc2ccc3c[nH+]cn3c2)CCCC1 ZINC001417908780 973468642 /nfs/dbraw/zinc/46/86/42/973468642.db2.gz LUPDTAVFYJQMEZ-UHFFFAOYSA-N 2 0 286.379 1.825 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CCF)C1CC1 ZINC001417981917 973512820 /nfs/dbraw/zinc/51/28/20/973512820.db2.gz ICWBOKJPDXFBFZ-LSDHHAIUSA-N 2 0 299.434 1.561 10 0 CDAERP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001373682285 973567298 /nfs/dbraw/zinc/56/72/98/973567298.db2.gz YLBFJCZJACYRBC-CQSZACIVSA-N 2 0 295.452 1.733 10 0 CDAERP CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001418138280 973605649 /nfs/dbraw/zinc/60/56/49/973605649.db2.gz IOCMSZPCWGYWRE-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[NH2+]C[C@](C)(NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001373872863 973675406 /nfs/dbraw/zinc/67/54/06/973675406.db2.gz COVVNIHVZYXBON-RDJZCZTQSA-N 2 0 293.455 1.611 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001498132523 973701176 /nfs/dbraw/zinc/70/11/76/973701176.db2.gz OLNQLTYVIHWJLX-KBPBESRZSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@@H](C[NH2+]CC1CCCC1)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001498173888 973729806 /nfs/dbraw/zinc/72/98/06/973729806.db2.gz MRQORKICKSISFZ-YOEHRIQHSA-N 2 0 293.455 1.757 10 0 CDAERP CC(C)[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001498199028 973739262 /nfs/dbraw/zinc/73/92/62/973739262.db2.gz SURSXWUQYVIDDT-GJZGRUSLSA-N 2 0 283.460 2.000 10 0 CDAERP CC(C)C[C@H](C)C[N@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001418512595 973919485 /nfs/dbraw/zinc/91/94/85/973919485.db2.gz QDGNNYMBRRZAHZ-HNNXBMFYSA-N 2 0 295.471 1.812 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001374528843 974001117 /nfs/dbraw/zinc/00/11/17/974001117.db2.gz ABLDUANZXSGVBC-AWEZNQCLSA-N 2 0 283.460 1.765 10 0 CDAERP CC[C@@H](F)C[NH2+]CCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001498641734 974009045 /nfs/dbraw/zinc/00/90/45/974009045.db2.gz ODANFVLOWLISAR-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP O=C(N[C@H](C[NH2+]CCCF)C1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001498759724 974053217 /nfs/dbraw/zinc/05/32/17/974053217.db2.gz JTQRPFOHXBYJHA-HUUCEWRRSA-N 2 0 297.418 1.172 10 0 CDAERP CC[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]1[NH2+]CC1CC1 ZINC001498907385 974102191 /nfs/dbraw/zinc/10/21/91/974102191.db2.gz OOJKHZNEFIMOFV-HOTGVXAUSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccsc1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001374925311 974180179 /nfs/dbraw/zinc/18/01/79/974180179.db2.gz FYNGFQWWFJUODR-LBPRGKRZSA-N 2 0 295.452 1.684 10 0 CDAERP CC(C)[C@H](C(=O)NC[C@H]1CC[N@@H+]1C(C)C)[NH+]1CCCC1 ZINC001499130741 974192685 /nfs/dbraw/zinc/19/26/85/974192685.db2.gz BWEZLPBCCQKMKL-HUUCEWRRSA-N 2 0 281.444 1.706 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001375273830 974310680 /nfs/dbraw/zinc/31/06/80/974310680.db2.gz TUXLYASWHVBUIR-HIFRSBDPSA-N 2 0 293.455 1.613 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCCF ZINC001499954605 974343165 /nfs/dbraw/zinc/34/31/65/974343165.db2.gz FXRHXVLHSFXCRE-HUUCEWRRSA-N 2 0 299.434 1.801 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@H](C[NH2+]CCF)C1CCCC1 ZINC001500125630 974378404 /nfs/dbraw/zinc/37/84/04/974378404.db2.gz JFDXEROSKRPKGH-CQSZACIVSA-N 2 0 285.407 1.316 10 0 CDAERP CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001500397350 974432356 /nfs/dbraw/zinc/43/23/56/974432356.db2.gz UPVLDIPRPWHWGN-GOEBONIOSA-N 2 0 283.460 1.811 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2C[NH+]1CC ZINC001375608082 974434010 /nfs/dbraw/zinc/43/40/10/974434010.db2.gz GRSKGNYHHKTQTQ-FZKCQIBNSA-N 2 0 293.455 1.517 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001376068376 974550918 /nfs/dbraw/zinc/55/09/18/974550918.db2.gz GHVJDUJAICTGFZ-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001501651063 974617789 /nfs/dbraw/zinc/61/77/89/974617789.db2.gz LHOGBQWPWOYKSQ-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCC[NH+](CCF)C2)C1 ZINC001376538269 974683699 /nfs/dbraw/zinc/68/36/99/974683699.db2.gz GNUCIJYCXPSLSM-UONOGXRCSA-N 2 0 285.407 1.126 10 0 CDAERP C[NH+](C)CCC(=O)N1CC2(C1)CC[NH+](CC1CC1)CC2 ZINC001376623447 974700323 /nfs/dbraw/zinc/70/03/23/974700323.db2.gz KCKLONZDSSVTHF-UHFFFAOYSA-N 2 0 279.428 1.273 10 0 CDAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccccc1 ZINC001376797359 974772971 /nfs/dbraw/zinc/77/29/71/974772971.db2.gz FLKOGIGKFVXHGU-HUUCEWRRSA-N 2 0 289.423 1.623 10 0 CDAERP COCC[N@H+](C)CCNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001377182986 974917493 /nfs/dbraw/zinc/91/74/93/974917493.db2.gz VQQYMQUATLGFIY-UHFFFAOYSA-N 2 0 299.459 1.334 10 0 CDAERP CCc1nccn1[C@@H](C)CC(=O)NC[C@H](C)[N@@H+](C)CC ZINC001505921816 975043583 /nfs/dbraw/zinc/04/35/83/975043583.db2.gz ALOMUKOSBYEAJL-STQMWFEESA-N 2 0 280.416 1.853 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CC1CC2(CCC2)C1 ZINC001505995086 975076885 /nfs/dbraw/zinc/07/68/85/975076885.db2.gz RAPDADQYVGYSQY-AWEZNQCLSA-N 2 0 295.471 1.955 10 0 CDAERP CCCC[C@H](C[NH2+]CC1CC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001506554383 975179511 /nfs/dbraw/zinc/17/95/11/975179511.db2.gz WJOFRAQEFQDYSR-HUUCEWRRSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C1C[NH+](CC2CC2)C1 ZINC001506680265 975202216 /nfs/dbraw/zinc/20/22/16/975202216.db2.gz RUCGKAWSQKECIJ-LBPRGKRZSA-N 2 0 267.417 1.173 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1CC[N@H+](CC(C)C)C1 ZINC001378057040 975224929 /nfs/dbraw/zinc/22/49/29/975224929.db2.gz IYIOXQMZRNSICO-KBPBESRZSA-N 2 0 287.423 1.513 10 0 CDAERP CCCC[N@H+](C)[C@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001378173453 975271027 /nfs/dbraw/zinc/27/10/27/975271027.db2.gz LYLPFARNDGWHFF-CQSZACIVSA-N 2 0 299.459 1.334 10 0 CDAERP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ocnc1C ZINC001378306368 975325900 /nfs/dbraw/zinc/32/59/00/975325900.db2.gz VBOKTDDIJXXEJI-QWHCGFSZSA-N 2 0 294.399 1.062 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NCC[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC001404521849 975414081 /nfs/dbraw/zinc/41/40/81/975414081.db2.gz WGTGCTXETGUANU-LSDHHAIUSA-N 2 0 279.428 1.176 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(C)C)CC1(C)C)[NH+](C)C ZINC001378661712 975432542 /nfs/dbraw/zinc/43/25/42/975432542.db2.gz HMFYHPOWNCELLP-ZIAGYGMSSA-N 2 0 283.460 1.809 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@@H]2CC[NH+]2CCCF)C1 ZINC001397009016 975435091 /nfs/dbraw/zinc/43/50/91/975435091.db2.gz DCDQEGFZQHVLFB-KGLIPLIRSA-N 2 0 285.407 1.221 10 0 CDAERP CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(C[NH+](C)C)CC3)C[C@H]2C1 ZINC001378792021 975492275 /nfs/dbraw/zinc/49/22/75/975492275.db2.gz YGIJNZGLWWZSSO-SOUVJXGZSA-N 2 0 293.455 1.565 10 0 CDAERP CCC[N@@H+]1C[C@@]2(C)CN(C(=O)CC[NH+](C)CC)C[C@@]2(C)C1 ZINC001378822638 975506570 /nfs/dbraw/zinc/50/65/70/975506570.db2.gz ZTHLGJSKGZIDMA-CALCHBBNSA-N 2 0 295.471 1.909 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCN(C)C(=O)CCc1nccn1C ZINC001379075266 975641737 /nfs/dbraw/zinc/64/17/37/975641737.db2.gz XTRQKHXSTCHSPK-CYBMUJFWSA-N 2 0 298.406 1.491 10 0 CDAERP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC1CCCC1 ZINC001379113669 975672046 /nfs/dbraw/zinc/67/20/46/975672046.db2.gz ZNKNKVLMWIFLJW-HIFRSBDPSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC001379159665 975698350 /nfs/dbraw/zinc/69/83/50/975698350.db2.gz AJRMYRKUDKPBOO-GJZGRUSLSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@H](C(=O)N1CCCC[C@H]1C[N@H+](C)CCOC)[NH+](C)C ZINC001397807828 975728729 /nfs/dbraw/zinc/72/87/29/975728729.db2.gz ZWDXAEDUIRXGJM-LSDHHAIUSA-N 2 0 299.459 1.286 10 0 CDAERP COC[C@H](C)[NH2+]CC[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001405478856 975754948 /nfs/dbraw/zinc/75/49/48/975754948.db2.gz IIFVCMGAXXNVNP-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@@H](C[NH2+]C[C@H]1CC(C)(C)CO1)N(C)C(=O)CC[NH+](C)C ZINC001405845691 975905000 /nfs/dbraw/zinc/90/50/00/975905000.db2.gz BVJSHVRLTIWGPV-UONOGXRCSA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001389843245 976014659 /nfs/dbraw/zinc/01/46/59/976014659.db2.gz FOZCUJNSYIKOMU-DTZQCDIJSA-N 2 0 293.455 1.611 10 0 CDAERP CCC[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001401957634 976038631 /nfs/dbraw/zinc/03/86/31/976038631.db2.gz STKPLDOINLXYES-ZIAGYGMSSA-N 2 0 279.428 1.652 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001389956953 976063530 /nfs/dbraw/zinc/06/35/30/976063530.db2.gz IJXKUFDYIOCFBN-KBXIAJHMSA-N 2 0 299.434 1.846 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2cncn2C)C1 ZINC001390013138 976085237 /nfs/dbraw/zinc/08/52/37/976085237.db2.gz XXQUQNSXVKGYKC-RWMBFGLXSA-N 2 0 278.400 1.246 10 0 CDAERP CC(C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001390044194 976097673 /nfs/dbraw/zinc/09/76/73/976097673.db2.gz XTGFGVSGMFKADP-ZNMIVQPWSA-N 2 0 281.444 1.752 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CC[C@H](C)O2)C1 ZINC001398666853 976098169 /nfs/dbraw/zinc/09/81/69/976098169.db2.gz OFFKTJSDOULIJC-BYNSBNAKSA-N 2 0 297.443 1.131 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001398732648 976130561 /nfs/dbraw/zinc/13/05/61/976130561.db2.gz OAOPMNQBXPWVSX-HOTGVXAUSA-N 2 0 295.471 1.957 10 0 CDAERP Cc1ccc(F)c(C[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C)c1 ZINC001406408477 976170960 /nfs/dbraw/zinc/17/09/60/976170960.db2.gz SHVMIYBEMFYSDL-CYBMUJFWSA-N 2 0 295.402 1.680 10 0 CDAERP CC(C)C[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001380072661 976230441 /nfs/dbraw/zinc/23/04/41/976230441.db2.gz DSMSSJGYUIVQQX-CYBMUJFWSA-N 2 0 271.449 1.715 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCOC ZINC001402472448 976299133 /nfs/dbraw/zinc/29/91/33/976299133.db2.gz IJLJFOFBPMKZEG-HUUCEWRRSA-N 2 0 297.443 1.040 10 0 CDAERP CCC(CC)C[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001390719635 976452401 /nfs/dbraw/zinc/45/24/01/976452401.db2.gz OXYUVFOSLVAPIQ-HIFRSBDPSA-N 2 0 283.460 1.859 10 0 CDAERP CC[C@@H](C(=O)NC1(C[NH2+]CC(C)C)CCOCC1)[NH+](C)C ZINC001402750625 976466868 /nfs/dbraw/zinc/46/68/68/976466868.db2.gz RDYKNTAHUGEUHV-AWEZNQCLSA-N 2 0 299.459 1.238 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001380687975 976518541 /nfs/dbraw/zinc/51/85/41/976518541.db2.gz ISKZNOUREMZLEJ-CABCVRRESA-N 2 0 293.455 1.422 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCF ZINC001402931629 976600550 /nfs/dbraw/zinc/60/05/50/976600550.db2.gz PVHSACMTBWBQIL-OLZOCXBDSA-N 2 0 273.396 1.171 10 0 CDAERP CC(C)[NH2+]C[C@@]1(C)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001407233839 976612349 /nfs/dbraw/zinc/61/23/49/976612349.db2.gz JLAJVAFPRPKKBZ-GOEBONIOSA-N 2 0 281.444 1.565 10 0 CDAERP CC[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)CC1CC(C)C1 ZINC001399811357 976685328 /nfs/dbraw/zinc/68/53/28/976685328.db2.gz OVMBNRXANQUDFA-HWOWSKLDSA-N 2 0 295.471 1.812 10 0 CDAERP CC[C@H](C)C[NH2+][C@@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001403076434 976695594 /nfs/dbraw/zinc/69/55/94/976695594.db2.gz VROKAOLTDBSWKR-KBPBESRZSA-N 2 0 299.459 1.238 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC[NH+](CC2CC(C)C2)C1 ZINC001391113293 976696470 /nfs/dbraw/zinc/69/64/70/976696470.db2.gz DIZIWLOHSWAJNN-PCKAHOCUSA-N 2 0 295.471 1.811 10 0 CDAERP CC(C)OCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001403117427 976733848 /nfs/dbraw/zinc/73/38/48/976733848.db2.gz BHTGFEMSEHKXFM-RRFJBIMHSA-N 2 0 299.459 1.188 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CCCF)C1 ZINC001391323023 976810615 /nfs/dbraw/zinc/81/06/15/976810615.db2.gz WOZCMXYTFZGUFY-CABCVRRESA-N 2 0 299.434 1.659 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001400053490 976832006 /nfs/dbraw/zinc/83/20/06/976832006.db2.gz JTKZJOHGQLOOLA-OAHLLOKOSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@@H](F)C[N@H+](C)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001381529315 976894682 /nfs/dbraw/zinc/89/46/82/976894682.db2.gz IFRJQVAAAFIVDF-CHWSQXEVSA-N 2 0 287.423 1.655 10 0 CDAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]Cc1nccs1 ZINC001408099330 976913731 /nfs/dbraw/zinc/91/37/31/976913731.db2.gz RARBTAVEAZGFSZ-NEPJUHHUSA-N 2 0 296.440 1.031 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001400265850 976956226 /nfs/dbraw/zinc/95/62/26/976956226.db2.gz XZCFPLLJDDOWDV-ILXRZTDVSA-N 2 0 299.434 1.799 10 0 CDAERP CC(C)CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001400300543 976976205 /nfs/dbraw/zinc/97/62/05/976976205.db2.gz NEELOMPVOIQGBA-OAHLLOKOSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH+](C)CCCF)CC[N@@H+]1C ZINC001408325323 977006408 /nfs/dbraw/zinc/00/64/08/977006408.db2.gz JNQSSVARELRYBX-RBSFLKMASA-N 2 0 299.434 1.609 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCF)C[C@H]21)[NH+](CC)CC ZINC001381907593 977077329 /nfs/dbraw/zinc/07/73/29/977077329.db2.gz XEOZXVOBGONRNO-APIJFGDWSA-N 2 0 299.434 1.370 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CC(C)(C)C1 ZINC001391749732 977081196 /nfs/dbraw/zinc/08/11/96/977081196.db2.gz ZXUDURCCAZPPLQ-CABCVRRESA-N 2 0 295.471 1.859 10 0 CDAERP Cc1ncc(C[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C(C)C)o1 ZINC001403624110 977110307 /nfs/dbraw/zinc/11/03/07/977110307.db2.gz NZPFBDDNFDWUHR-LBPRGKRZSA-N 2 0 296.415 1.260 10 0 CDAERP CC[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccsc1)[NH+](C)C ZINC001391925689 977152579 /nfs/dbraw/zinc/15/25/79/977152579.db2.gz ACSDADFFXCIZBI-OCCSQVGLSA-N 2 0 297.468 1.930 10 0 CDAERP CCC(CC)C[NH2+]C[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001391951716 977161371 /nfs/dbraw/zinc/16/13/71/977161371.db2.gz QECKGRWHZWTAMU-CQSZACIVSA-N 2 0 295.471 1.860 10 0 CDAERP CC(C)C[NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C ZINC001403795409 977196245 /nfs/dbraw/zinc/19/62/45/977196245.db2.gz AKQCJVCJTIJHIK-AWEZNQCLSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1cccnc1 ZINC001382170665 977202316 /nfs/dbraw/zinc/20/23/16/977202316.db2.gz YWPPTCGFNHKNDI-CQSZACIVSA-N 2 0 292.427 1.358 10 0 CDAERP CC[C@@H](C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C)OC ZINC001403836917 977224173 /nfs/dbraw/zinc/22/41/73/977224173.db2.gz WKUQLLPOTJTDFH-UONOGXRCSA-N 2 0 299.459 1.190 10 0 CDAERP Cc1ccccc1C[NH2+]C[C@H](C)N(C)C(=O)CC[NH+](C)C ZINC001392123165 977225991 /nfs/dbraw/zinc/22/59/91/977225991.db2.gz SBKAUONCHQCAKG-HNNXBMFYSA-N 2 0 291.439 1.883 10 0 CDAERP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(F)cc1 ZINC001400862057 977229721 /nfs/dbraw/zinc/22/97/21/977229721.db2.gz SVFVNHQZEGXJEA-OAHLLOKOSA-N 2 0 295.402 1.762 10 0 CDAERP CC[NH+]1CCC([C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001382550762 977306766 /nfs/dbraw/zinc/30/67/66/977306766.db2.gz IYSOJDRTJIVCTP-HIFRSBDPSA-N 2 0 283.460 1.809 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001404079417 977331619 /nfs/dbraw/zinc/33/16/19/977331619.db2.gz YLQISLUCNDKIFA-CQSZACIVSA-N 2 0 295.471 1.812 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)C1CC1 ZINC001404261039 977382205 /nfs/dbraw/zinc/38/22/05/977382205.db2.gz BSYJROZMLLDLIH-LSDHHAIUSA-N 2 0 279.428 1.604 10 0 CDAERP CC[C@@H](C)C[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001404286693 977399086 /nfs/dbraw/zinc/39/90/86/977399086.db2.gz PRRZQDWIFRKNSW-CABCVRRESA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C)C[N@H+](C)CCC(C)C)[NH+](C)C ZINC001392716934 977569707 /nfs/dbraw/zinc/56/97/07/977569707.db2.gz HMPOOEWIDOCYKQ-KGLIPLIRSA-N 2 0 271.449 1.809 10 0 CDAERP CO[C@@H](C)C[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001392924120 977651801 /nfs/dbraw/zinc/65/18/01/977651801.db2.gz HCGXBPGZYARSGH-ZDUSSCGKSA-N 2 0 297.443 1.134 10 0 CDAERP C[C@]1(C[NH2+]CC2CC2)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001393167533 977722907 /nfs/dbraw/zinc/72/29/07/977722907.db2.gz YVLZRMLCGRDRPR-MRXNPFEDSA-N 2 0 291.439 1.320 10 0 CDAERP CC(C)CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001393614000 977860269 /nfs/dbraw/zinc/86/02/69/977860269.db2.gz SHLHPSIMCVTTLQ-HNNXBMFYSA-N 2 0 283.460 1.907 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CCC(C)C)[C@@H](C)C1 ZINC001393744006 977906214 /nfs/dbraw/zinc/90/62/14/977906214.db2.gz DMQZLIOKFDANAR-GJZGRUSLSA-N 2 0 283.460 1.811 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCCF)CC1(C)C ZINC001393770618 977911681 /nfs/dbraw/zinc/91/16/81/977911681.db2.gz TXQGKPKRUMSCLH-CYBMUJFWSA-N 2 0 287.423 1.514 10 0 CDAERP Cc1ncc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CCC[NH+](C)C)o1 ZINC001393970752 977990697 /nfs/dbraw/zinc/99/06/97/977990697.db2.gz ZUKOOTROPDYVQW-VXGBXAGGSA-N 2 0 296.415 1.308 10 0 CDAERP CC[NH2+]CC(C)(C)CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001394021519 978008613 /nfs/dbraw/zinc/00/86/13/978008613.db2.gz OPCSKWLYVSFDHM-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@H](F)C[N@H+](C)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001394124837 978079423 /nfs/dbraw/zinc/07/94/23/978079423.db2.gz PGWYVMKHRUGOGJ-OLZOCXBDSA-N 2 0 285.407 1.267 10 0 CDAERP CC(C)CC[NH+]1CC([C@H](C)NC(=O)C[N@H+](C)C(C)C)C1 ZINC001394275249 978123942 /nfs/dbraw/zinc/12/39/42/978123942.db2.gz XIQMYBFPWMUTFN-AWEZNQCLSA-N 2 0 283.460 1.809 10 0 CDAERP CC(C)[NH2+]C[C@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001394382952 978148142 /nfs/dbraw/zinc/14/81/42/978148142.db2.gz XRUMMLDCUMFESQ-SHTZXODSSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC1CCCC1 ZINC001394542258 978198596 /nfs/dbraw/zinc/19/85/96/978198596.db2.gz UCKSFEUDJGXBCQ-GDBMZVCRSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccsc1 ZINC001394559609 978201599 /nfs/dbraw/zinc/20/15/99/978201599.db2.gz NHFFMCBEZLZCNV-TZMCWYRMSA-N 2 0 295.452 1.636 10 0 CDAERP COCCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001674152886 1173919878 /nfs/dbraw/zinc/91/98/78/1173919878.db2.gz CWWDCWXZULQFEM-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001674930681 1174038769 /nfs/dbraw/zinc/03/87/69/1174038769.db2.gz BFCPEXLDNAMBMH-YNEHKIRRSA-N 2 0 255.406 1.172 10 0 CDAERP COCC[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)CC1 ZINC001570185258 1170104210 /nfs/dbraw/zinc/10/42/10/1170104210.db2.gz IOHHCOQAXRPIAG-OAHLLOKOSA-N 2 0 299.459 1.335 10 0 CDAERP CCCC[NH2+][C@H](C)[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001570611100 1170211144 /nfs/dbraw/zinc/21/11/44/1170211144.db2.gz OIEBJWNWBKFESL-OLZOCXBDSA-N 2 0 269.433 1.754 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001656122347 1171774018 /nfs/dbraw/zinc/77/40/18/1171774018.db2.gz JTHWQGXJZDVRAD-ZNMIVQPWSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H](CNC(=O)N[C@@H]1CCC[N@H+](C)C1)[NH+]1CCCC[C@H]1C ZINC000618555378 349482831 /nfs/dbraw/zinc/48/28/31/349482831.db2.gz WAKKPOPXGKRMOJ-RBSFLKMASA-N 2 0 296.459 1.643 10 0 CDAERP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]CCOCC(=O)OC(C)(C)C ZINC000601294154 342550002 /nfs/dbraw/zinc/55/00/02/342550002.db2.gz KXVFFLZZNGCDFE-GXTWGEPZSA-N 2 0 298.427 1.417 10 0 CDAERP NC(=O)c1csc(C[NH2+]CCC2(C[NH3+])CC2)c1 ZINC000650712741 398155779 /nfs/dbraw/zinc/15/57/79/398155779.db2.gz RYYSBKACNBPQKV-UHFFFAOYSA-N 2 0 253.371 1.066 10 0 CDAERP [NH3+]CCC[NH+]1CCC2(CC1)OC(=O)Cc1ccccc12 ZINC000038956374 342550130 /nfs/dbraw/zinc/55/01/30/342550130.db2.gz ZFRSGHZJKOWOTO-UHFFFAOYSA-N 2 0 274.364 1.426 10 0 CDAERP C[C@H](CC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)[C@H]1CCC[NH2+]C1 ZINC000248575414 343995127 /nfs/dbraw/zinc/99/51/27/343995127.db2.gz DKWBDNOITTZGQJ-FQKPHLNHSA-N 2 0 279.428 1.208 10 0 CDAERP C[C@H](CC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000248575420 343995143 /nfs/dbraw/zinc/99/51/43/343995143.db2.gz DKWBDNOITTZGQJ-MRLBHPIUSA-N 2 0 279.428 1.208 10 0 CDAERP [NH3+]CCN1CC[NH2+]C[C@H]1c1cccc2ncccc21 ZINC000616603964 361827143 /nfs/dbraw/zinc/82/71/43/361827143.db2.gz IMEGJKJGYFEGCG-HNNXBMFYSA-N 2 0 256.353 1.140 10 0 CDAERP CS[C@@H]1CC[C@@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000591835215 342648118 /nfs/dbraw/zinc/64/81/18/342648118.db2.gz VWLGDAQDJMKXBV-QWHCGFSZSA-N 2 0 271.474 1.496 10 0 CDAERP COC(=O)C(C)(C)[C@@H]1CCC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000592429269 342694980 /nfs/dbraw/zinc/69/49/80/342694980.db2.gz DFWWBVLOLJCXFS-CJNGLKHVSA-N 2 0 282.428 1.897 10 0 CDAERP COC(=O)CC1(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)CC1 ZINC000592478678 342699366 /nfs/dbraw/zinc/69/93/66/342699366.db2.gz HSPSDPRGKOMPSJ-KGLIPLIRSA-N 2 0 280.412 1.794 10 0 CDAERP COC(=O)C[C@@H]1CC[C@H]([NH2+]C2CC([NH+](C)C)C2)[C@@H]1C ZINC000567123335 361889147 /nfs/dbraw/zinc/88/91/47/361889147.db2.gz DUFOHANXEAVADU-CJQNXBEJSA-N 2 0 268.401 1.646 10 0 CDAERP CN(Cc1ccccc1)C[C@H](O)C[N@H+](CCCO)C1CC1 ZINC000605427763 342185419 /nfs/dbraw/zinc/18/54/19/342185419.db2.gz KYNBOFLDQZURSP-KRWDZBQOSA-N 2 0 292.423 1.326 10 0 CDAERP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC000263140656 361924472 /nfs/dbraw/zinc/92/44/72/361924472.db2.gz CGUQFCYFZZYAIX-LUKYLMHMSA-N 2 0 274.408 1.801 10 0 CDAERP COC(=O)CCC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000593728698 342830067 /nfs/dbraw/zinc/83/00/67/342830067.db2.gz CPKVKDXQZQGJJT-MGPQQGTHSA-N 2 0 284.400 1.300 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000629399227 361935413 /nfs/dbraw/zinc/93/54/13/361935413.db2.gz DKVBFEIWRKQLJG-UHFFFAOYSA-N 2 0 284.787 1.730 10 0 CDAERP C[NH2+]CCOCC[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000629406795 361944414 /nfs/dbraw/zinc/94/44/14/361944414.db2.gz YMKONFOSRSWXCY-RDJZCZTQSA-N 3 0 297.487 1.855 10 0 CDAERP CC[C@@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000130385660 342213050 /nfs/dbraw/zinc/21/30/50/342213050.db2.gz RECSXRYLRKCVMU-JKSUJKDBSA-N 2 0 289.423 1.895 10 0 CDAERP CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000246245148 361987725 /nfs/dbraw/zinc/98/77/25/361987725.db2.gz HBFSGDIWPCHHTG-OAGGEKHMSA-N 2 0 293.455 1.755 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000363538009 361996101 /nfs/dbraw/zinc/99/61/01/361996101.db2.gz KEWAVWITFXMHNI-HNNXBMFYSA-N 2 0 279.428 1.128 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)C[C@@H]1C ZINC000600681792 342242349 /nfs/dbraw/zinc/24/23/49/342242349.db2.gz JUNHWXIWINBDBM-ODXJTPSBSA-N 2 0 268.401 1.694 10 0 CDAERP COC(=O)c1csc([C@@H](C)[NH2+]CCOCCC[NH3+])c1 ZINC000600709359 342243516 /nfs/dbraw/zinc/24/35/16/342243516.db2.gz JSVWWZWWXFWMSC-SNVBAGLBSA-N 2 0 286.397 1.551 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)c1cc(C(=O)OC)cs1 ZINC000600710462 342243601 /nfs/dbraw/zinc/24/36/01/342243601.db2.gz OSBWSWBQMCTPPR-SNVBAGLBSA-N 2 0 286.397 1.421 10 0 CDAERP C[NH+](C)[C@@H]1CCCN(C(=O)[C@](C)([NH3+])c2ccccc2)CC1 ZINC000335052274 282186522 /nfs/dbraw/zinc/18/65/22/282186522.db2.gz MXOVXYQSLUITOG-NVXWUHKLSA-N 2 0 289.423 1.803 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000594921803 342987565 /nfs/dbraw/zinc/98/75/65/342987565.db2.gz UIYJBPSYEPVIMY-IACUBPJLSA-N 2 0 268.401 1.646 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000594925195 342988911 /nfs/dbraw/zinc/98/89/11/342988911.db2.gz MLTGVTWAANHNFZ-RYMFRWLXSA-N 2 0 266.385 1.400 10 0 CDAERP C[NH+](C)[C@@H]1CCN(C(=O)c2ccc3c(c2)C[NH2+]C3)C1 ZINC000131156048 282200955 /nfs/dbraw/zinc/20/09/55/282200955.db2.gz UKXZGQQJCYVNCJ-CQSZACIVSA-N 2 0 259.353 1.066 10 0 CDAERP C[NH2+]C[C@H]1CCC[N@H+](CCOC2CCOCC2)C1 ZINC000629507224 362121332 /nfs/dbraw/zinc/12/13/32/362121332.db2.gz ASTZTKLWMQPODV-CYBMUJFWSA-N 2 0 256.390 1.113 10 0 CDAERP CC[NH+](CC)CCSCC(=O)N1CC2CC1(C[NH3+])C2 ZINC000595967150 343198766 /nfs/dbraw/zinc/19/87/66/343198766.db2.gz YGUWJROOSUTYAK-UHFFFAOYSA-N 2 0 285.457 1.011 10 0 CDAERP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCOC1CCOCC1 ZINC000629511768 362122765 /nfs/dbraw/zinc/12/27/65/362122765.db2.gz AOCUGZLGRQUKBH-AWEZNQCLSA-N 2 0 258.406 1.487 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1COc2cccc(C)c2C1 ZINC000629512988 362125088 /nfs/dbraw/zinc/12/50/88/362125088.db2.gz DOAHEYZNFHSZMX-KBPBESRZSA-N 2 0 278.396 1.642 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H](n1cccn1)C(F)(F)F ZINC000629513360 362127520 /nfs/dbraw/zinc/12/75/20/362127520.db2.gz HQGIARLFLGMBPJ-QWRGUYRKSA-N 2 0 294.321 1.330 10 0 CDAERP c1ccc2c(c1)CO[C@H](C[NH2+][C@@H]1CCC[NH2+]CC1)C2 ZINC000629513924 362128895 /nfs/dbraw/zinc/12/88/95/362128895.db2.gz NISPWPXQQWVDBJ-CVEARBPZSA-N 2 0 260.381 1.860 10 0 CDAERP COC(=O)C12CC(C1)C[N@@H+]2CCCC1CC[NH2+]CC1 ZINC000595902139 343187193 /nfs/dbraw/zinc/18/71/93/343187193.db2.gz HESWIADTUMDTDZ-UHFFFAOYSA-N 2 0 266.385 1.404 10 0 CDAERP [NH3+]C1(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CCOCC1 ZINC000629520488 362134949 /nfs/dbraw/zinc/13/49/49/362134949.db2.gz LEDUUILGRYIXGS-MELADBBJSA-N 2 0 267.417 1.005 10 0 CDAERP [NH3+]C1(C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)CCOCC1 ZINC000629520089 362140238 /nfs/dbraw/zinc/14/02/38/362140238.db2.gz KHHDOXJAHYXVCD-RRFJBIMHSA-N 2 0 282.428 1.679 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000629529186 362155242 /nfs/dbraw/zinc/15/52/42/362155242.db2.gz URTJQMJPHIIGFC-CQSZACIVSA-N 2 0 252.333 1.639 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000629530051 362161907 /nfs/dbraw/zinc/16/19/07/362161907.db2.gz UEPJGCFOCPORAB-CYBMUJFWSA-N 2 0 270.323 1.778 10 0 CDAERP C(C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)OC1CCOCC1 ZINC000629532275 362164483 /nfs/dbraw/zinc/16/44/83/362164483.db2.gz TXSMSSBFKCCBFS-HNNXBMFYSA-N 2 0 282.428 1.504 10 0 CDAERP COc1cncc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000629533221 362170499 /nfs/dbraw/zinc/17/04/99/362170499.db2.gz OJGIDSQATHESFM-CHWSQXEVSA-N 2 0 276.384 1.307 10 0 CDAERP C[C@@H]1OCC[C@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000149489408 136393104 /nfs/dbraw/zinc/39/31/04/136393104.db2.gz OGNDDOZTUSTCRS-SWLSCSKDSA-N 2 0 261.369 1.817 10 0 CDAERP CSC[C@H](CCO)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000598965434 343930821 /nfs/dbraw/zinc/93/08/21/343930821.db2.gz MHZCNVZGMSDSEG-RYUDHWBXSA-N 2 0 260.447 1.563 10 0 CDAERP COc1ccccc1/C=C/CN1CCN(C)C[C@@H]1C[NH3+] ZINC000572721680 362292868 /nfs/dbraw/zinc/29/28/68/362292868.db2.gz ADWCSYUDPYZDCO-ZKKXHLJNSA-N 2 0 275.396 1.283 10 0 CDAERP C[C@H](C[NH2+]C[C@@H](O)COCc1ccco1)C[NH+]1CCCC1 ZINC000062071843 344331706 /nfs/dbraw/zinc/33/17/06/344331706.db2.gz JWINMNDLNLMRBH-HUUCEWRRSA-N 2 0 296.411 1.479 10 0 CDAERP CCC1(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CCCC1 ZINC000562997796 293239034 /nfs/dbraw/zinc/23/90/34/293239034.db2.gz XBQYKQUYAXHGER-OAHLLOKOSA-N 2 0 283.460 1.155 10 0 CDAERP Cc1cc(N2CC[NH+](CCC(C)C)CC2)nc(N)[nH+]1 ZINC000052282059 362499619 /nfs/dbraw/zinc/49/96/19/362499619.db2.gz FFRTYZXMOWROSB-UHFFFAOYSA-N 2 0 263.389 1.535 10 0 CDAERP CCC[NH+]1CCC(NC(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000608647595 345804433 /nfs/dbraw/zinc/80/44/33/345804433.db2.gz FFEWUDOXPPCBOB-AWEZNQCLSA-N 2 0 282.432 1.254 10 0 CDAERP CC(C)[C@H]1C[C@@H]1C(=O)NCCN(C)CCC[NH+](C)C ZINC000617764762 345960753 /nfs/dbraw/zinc/96/07/53/345960753.db2.gz FKMRPSYUKOPBCD-KGLIPLIRSA-N 2 0 269.433 1.278 10 0 CDAERP CC(C)C[N@H+](CCCC[C@](C)(O)C[NH3+])CCN(C)C ZINC000085300687 179010636 /nfs/dbraw/zinc/01/06/36/179010636.db2.gz ITGKVAYWJMKPID-HNNXBMFYSA-N 2 0 273.465 1.386 10 0 CDAERP CC[C@H](C)[NH+]1CCN(CCCC[C@@](C)(O)C[NH3+])CC1 ZINC000085302179 179011205 /nfs/dbraw/zinc/01/12/05/179011205.db2.gz CTUSMANKPGKQNN-LSDHHAIUSA-N 2 0 271.449 1.283 10 0 CDAERP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCC[C@H]2[NH3+])cc1 ZINC000085364050 179035343 /nfs/dbraw/zinc/03/53/43/179035343.db2.gz NTGPGTQLKABBEZ-UONOGXRCSA-N 2 0 261.369 1.814 10 0 CDAERP CC[NH+]1CCC(NC(=O)[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000085369717 179039518 /nfs/dbraw/zinc/03/95/18/179039518.db2.gz JBYIATSEFCEULD-QWHCGFSZSA-N 2 0 253.390 1.104 10 0 CDAERP C[NH+](C)C[C@H](NC(=O)[C@H]1CCCC[C@@H]1[NH3+])c1ccccc1 ZINC000085370822 179040731 /nfs/dbraw/zinc/04/07/31/179040731.db2.gz XCMPYJLPWKGTKH-JYJNAYRXSA-N 2 0 289.423 1.923 10 0 CDAERP [NH3+][C@H]1COC[C@@H]1C[NH2+]Cc1ccc(Br)s1 ZINC000085376315 179044779 /nfs/dbraw/zinc/04/47/79/179044779.db2.gz PJVNOTVMAUCVJP-CBAPKCEASA-N 2 0 291.214 1.574 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCCn1cnc2c1CC[NH2+]C2 ZINC000085567018 179095504 /nfs/dbraw/zinc/09/55/04/179095504.db2.gz CJEYASJGZVMOGY-ZDUSSCGKSA-N 2 0 262.401 1.793 10 0 CDAERP CCc1nc2c(n1CCC[NH+](CC)CC)CC[NH2+]C2 ZINC000085569191 179096516 /nfs/dbraw/zinc/09/65/16/179096516.db2.gz WTJLPNLYAADGBW-UHFFFAOYSA-N 2 0 264.417 1.823 10 0 CDAERP CCC1(CC)C[N@H+](CCOCCOC)[C@H](C)CC[NH2+]1 ZINC000085628034 179107289 /nfs/dbraw/zinc/10/72/89/179107289.db2.gz HDOIGRMJZHNCEN-CQSZACIVSA-N 2 0 272.433 1.892 10 0 CDAERP C[C@@H]1CCCC[C@H]1OCC[NH2+]CC1CC[NH+](CCO)CC1 ZINC000075602804 346760731 /nfs/dbraw/zinc/76/07/31/346760731.db2.gz RYPIDEMZCIOCHU-NVXWUHKLSA-N 2 0 298.471 1.876 10 0 CDAERP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]C[C@@H]1CCCC[C@@H]1O)C2 ZINC000085972587 179207262 /nfs/dbraw/zinc/20/72/62/179207262.db2.gz SIKKYURSOXFGDA-MNFFZHCASA-N 2 0 252.402 1.752 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000352054849 362811947 /nfs/dbraw/zinc/81/19/47/362811947.db2.gz IPFDEYLZHSACTR-KGLIPLIRSA-N 2 0 279.428 1.604 10 0 CDAERP C[NH+](C)CCCCN1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC000086146707 179238527 /nfs/dbraw/zinc/23/85/27/179238527.db2.gz MXDOMSDXKOMOBY-QGZVFWFLSA-N 2 0 275.440 1.845 10 0 CDAERP CC[C@](C[NH3+])(C1CC1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000086120720 179234571 /nfs/dbraw/zinc/23/45/71/179234571.db2.gz KTLXCILGCCXOFH-CABCVRRESA-N 2 0 251.418 1.674 10 0 CDAERP CC[NH+]1CCC(CN2CC[NH2+][C@@H](C(C)C)C2)CC1 ZINC000086145686 179237710 /nfs/dbraw/zinc/23/77/10/179237710.db2.gz FPBQENRGUHYPQS-OAHLLOKOSA-N 2 0 253.434 1.648 10 0 CDAERP CC[N@@H+]1CCC[C@H](N2CC[NH2+]C3(CCCC3)C2)C1 ZINC000086143080 179238154 /nfs/dbraw/zinc/23/81/54/179238154.db2.gz FRZCUYNKSAQWEG-AWEZNQCLSA-N 2 0 251.418 1.689 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CN2CC[NH2+][C@H](C3CC3)C2)C1 ZINC000086146572 179238704 /nfs/dbraw/zinc/23/87/04/179238704.db2.gz KOKLUAUFBDNUJM-HIFRSBDPSA-N 2 0 251.418 1.401 10 0 CDAERP CC[C@H]1CN[C@@H](C)C[N@@H+]1CC1CC[NH+](CC)CC1 ZINC000086173688 179244463 /nfs/dbraw/zinc/24/44/63/179244463.db2.gz KFNUGFDBISIHKJ-ZFWWWQNUSA-N 2 0 253.434 1.791 10 0 CDAERP CC[C@H]1C[NH2+][C@@H](C2CC2)CN1C[C@@H]1CC[N@H+](CC)C1 ZINC000086223031 179251073 /nfs/dbraw/zinc/25/10/73/179251073.db2.gz KBWYTIGPKDESSP-VNQPRFMTSA-N 2 0 265.445 1.791 10 0 CDAERP C[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223157 179251380 /nfs/dbraw/zinc/25/13/80/179251380.db2.gz DWTXHZJNVWTQGQ-BFHYXJOUSA-N 2 0 253.434 1.647 10 0 CDAERP CC(C)[C@H]1C[NH2+][C@@H](C2CC2)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223111 179251668 /nfs/dbraw/zinc/25/16/68/179251668.db2.gz PHJMCIUNRPMKCF-FVQBIDKESA-N 2 0 265.445 1.647 10 0 CDAERP CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623492158 347602961 /nfs/dbraw/zinc/60/29/61/347602961.db2.gz NYLKEQMFTDHCRQ-HZSPNIEDSA-N 2 0 270.417 1.643 10 0 CDAERP Cn1ccc(CC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)n1 ZINC000623492391 347603316 /nfs/dbraw/zinc/60/33/16/347603316.db2.gz WWAPGZYDTCYCNB-CYBMUJFWSA-N 2 0 250.390 1.425 10 0 CDAERP CC[NH+]1CCC(CC[NH2+]Cc2ccc(CO)o2)CC1 ZINC000174551317 365903133 /nfs/dbraw/zinc/90/31/33/365903133.db2.gz PGOKJVUUJDVZPD-UHFFFAOYSA-N 2 0 266.385 1.984 10 0 CDAERP COC[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)[C@H]1CCCO1 ZINC000623510459 347610191 /nfs/dbraw/zinc/61/01/91/347610191.db2.gz YVUHLBDFSCSKQM-MELADBBJSA-N 2 0 270.417 1.643 10 0 CDAERP CN1CCOC[C@@H]1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000623713300 347676510 /nfs/dbraw/zinc/67/65/10/347676510.db2.gz XUMABXKHMYVRHZ-KRWDZBQOSA-N 2 0 295.471 1.704 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000629536086 362949652 /nfs/dbraw/zinc/94/96/52/362949652.db2.gz DZJCZSYDFYFRPU-RBSFLKMASA-N 3 0 269.433 1.252 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000629539026 362955624 /nfs/dbraw/zinc/95/56/24/362955624.db2.gz OYLZKWIXWJYXLT-CYBMUJFWSA-N 2 0 270.323 1.907 10 0 CDAERP CC(C)[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)nc2)CC[NH2+]1 ZINC000621158879 350467893 /nfs/dbraw/zinc/46/78/93/350467893.db2.gz ZMMXFJZTEUPRJY-HNNXBMFYSA-N 2 0 290.411 1.213 10 0 CDAERP Cc1ccncc1C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000629540945 362963829 /nfs/dbraw/zinc/96/38/29/362963829.db2.gz YXYPKJPUOOMDSX-HNNXBMFYSA-N 2 0 286.383 1.277 10 0 CDAERP [NH3+]CC1(CCNC(=O)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000621665874 350702196 /nfs/dbraw/zinc/70/21/96/350702196.db2.gz AQQQJNZRBIPIPU-LBPRGKRZSA-N 2 0 253.390 1.011 10 0 CDAERP O=C(CC[C@@H]1CCC[NH2+]C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000621653469 350691180 /nfs/dbraw/zinc/69/11/80/350691180.db2.gz ZHSLELTXCTYBKO-GXTWGEPZSA-N 2 0 265.401 1.119 10 0 CDAERP C[C@@H]1CC[C@@H](C)[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000414704277 365999852 /nfs/dbraw/zinc/99/98/52/365999852.db2.gz MTLJZVBIYBUDEV-MCIONIFRSA-N 2 0 267.417 1.304 10 0 CDAERP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1CCCCO1 ZINC000623893447 351322414 /nfs/dbraw/zinc/32/24/14/351322414.db2.gz QTFPWZGTKUNPFN-YQQAZPJKSA-N 2 0 295.471 1.702 10 0 CDAERP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2C[C@H](C(N)=O)C2)CC1 ZINC000624130455 351432672 /nfs/dbraw/zinc/43/26/72/351432672.db2.gz OGDJBDWBJCPIJP-RRCSTGOVSA-N 2 0 293.455 1.883 10 0 CDAERP COc1cccc([C@@H](C)[N@H+](C)CCOCC[NH3+])c1 ZINC000629577467 363035202 /nfs/dbraw/zinc/03/52/02/363035202.db2.gz ACSBEFFCVSGYMH-GFCCVEGCSA-N 2 0 252.358 1.663 10 0 CDAERP CC[NH+](CC)CCCN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629593207 363105133 /nfs/dbraw/zinc/10/51/33/363105133.db2.gz IKGATPDGHFDZJY-GASCZTMLSA-N 2 0 253.434 1.650 10 0 CDAERP COC[C@]1(C)C[N@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000629594401 363115249 /nfs/dbraw/zinc/11/52/49/363115249.db2.gz CANDBHHDYIYXFC-AWEZNQCLSA-N 2 0 256.390 1.113 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000333783552 363149634 /nfs/dbraw/zinc/14/96/34/363149634.db2.gz LHMPZEORLODVOC-BPLDGKMQSA-N 2 0 294.443 1.301 10 0 CDAERP c1nc2n(n1)[C@@H](C[N@@H+]1CC[C@H](C[NH+]3CCCCC3)C1)CC2 ZINC000639496716 363229370 /nfs/dbraw/zinc/22/93/70/363229370.db2.gz HIDKWRJUWWDOFH-HUUCEWRRSA-N 2 0 289.427 1.573 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)CCF)CC[N@@H+]1C ZINC001660150442 1172165816 /nfs/dbraw/zinc/16/58/16/1172165816.db2.gz RVKVWFLEHXFPAH-QWHCGFSZSA-N 2 0 273.396 1.124 10 0 CDAERP C[NH2+]CCOCCN(C)Cc1nc2c(s1)CCCC2 ZINC000629654796 363258215 /nfs/dbraw/zinc/25/82/15/363258215.db2.gz RPTUJPMPVMNSSV-UHFFFAOYSA-N 2 0 283.441 1.690 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)C[C@H](C)c1ccccc1 ZINC000629654359 363254769 /nfs/dbraw/zinc/25/47/69/363254769.db2.gz PRXZNNYWAOSPNT-AWEZNQCLSA-N 2 0 250.386 1.958 10 0 CDAERP O[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000093452363 482710637 /nfs/dbraw/zinc/71/06/37/482710637.db2.gz RQWMOJGIYTUANL-VYDRJRHOSA-N 2 0 252.402 1.800 10 0 CDAERP C/C=C/C[C@@H]1CCC[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000629673915 363321623 /nfs/dbraw/zinc/32/16/23/363321623.db2.gz ORNOWRNCANPRNZ-REUDQUMMSA-N 2 0 293.455 1.862 10 0 CDAERP CCC1([NH+]2CCOCC2)CCN(CC[NH2+]C(C)(C)C)CC1 ZINC000629661156 363316037 /nfs/dbraw/zinc/31/60/37/363316037.db2.gz BFINEUGUPCNDGH-UHFFFAOYSA-N 2 0 297.487 1.951 10 0 CDAERP C[N@H+](CCCCNC(=O)NC[C@@H]1CCC[NH+]1C)C1CC1 ZINC000454634004 363384129 /nfs/dbraw/zinc/38/41/29/363384129.db2.gz RVIAIUMGWHEFTQ-AWEZNQCLSA-N 2 0 282.432 1.254 10 0 CDAERP [NH3+]C1(C(=O)Nc2cccc(-n3ccnc3)c2)CCOCC1 ZINC000132088501 358491438 /nfs/dbraw/zinc/49/14/38/358491438.db2.gz HHJJZJJTYWTVAG-UHFFFAOYSA-N 2 0 286.335 1.319 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[NH+]3CCCC[C@H]23)CC[N@@H+]1C ZINC000469506095 291046137 /nfs/dbraw/zinc/04/61/37/291046137.db2.gz BYECXFPGNWFNDJ-ZQDZILKHSA-N 2 0 279.428 1.460 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC[C@H]2O)[C@@H]2CCC[C@@H]21 ZINC000453393038 283137156 /nfs/dbraw/zinc/13/71/56/283137156.db2.gz ZOFXPPNEEUBPAX-UVPYHEFZSA-N 2 0 266.429 2.000 10 0 CDAERP O=C(C[C@H]1CCC[NH2+]CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000336415921 356170950 /nfs/dbraw/zinc/17/09/50/356170950.db2.gz ZYFDNWBMUULCES-UONOGXRCSA-N 2 0 265.401 1.073 10 0 CDAERP CC(C)[NH2+]CCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000037610405 356507553 /nfs/dbraw/zinc/50/75/53/356507553.db2.gz NIRRYHUFCLUOQW-MRXNPFEDSA-N 2 0 261.413 1.973 10 0 CDAERP CC(C)C[NH+]1CCN([C@H]2C[C@@H]([NH3+])C23CCOCC3)CC1 ZINC000725264439 538455679 /nfs/dbraw/zinc/45/56/79/538455679.db2.gz OGHNSXWQAFRDFO-CABCVRRESA-N 2 0 281.444 1.156 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2cccnc2)CC1 ZINC000022926501 356624459 /nfs/dbraw/zinc/62/44/59/356624459.db2.gz HCDQDLCIQSKJEO-QGZVFWFLSA-N 2 0 288.439 1.684 10 0 CDAERP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)C[C@@](C)(O)C2CC2)CC1 ZINC000634700449 357370265 /nfs/dbraw/zinc/37/02/65/357370265.db2.gz AELVZFWVNKBNMK-DLBZAZTESA-N 2 0 298.471 1.610 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C)C[NH+]1CCCC1 ZINC000227460758 295963858 /nfs/dbraw/zinc/96/38/58/295963858.db2.gz DNBRINXCPKFIAZ-BFHYXJOUSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CC1(C)C)N1CC[NH+](C)CC1 ZINC000487304645 295972238 /nfs/dbraw/zinc/97/22/38/295972238.db2.gz DKWIAZHAKNFQDV-IHRRRGAJSA-N 2 0 253.434 1.647 10 0 CDAERP O=C(CCC1CC[NH2+]CC1)N1CCC2(CC[NH2+]C2)CC1 ZINC000336469321 363606175 /nfs/dbraw/zinc/60/61/75/363606175.db2.gz OCEQBOIYHSNCTN-UHFFFAOYSA-N 2 0 279.428 1.368 10 0 CDAERP O[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1C[NH2+]C1CC1 ZINC000095078363 358675797 /nfs/dbraw/zinc/67/57/97/358675797.db2.gz JBTXYSPDVSLCFG-GDBMZVCRSA-N 2 0 260.381 1.621 10 0 CDAERP CC1CC[NH+](CCNC(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000055089408 358767516 /nfs/dbraw/zinc/76/75/16/358767516.db2.gz QBIZBOUWUXTZRI-KBPBESRZSA-N 2 0 267.417 1.352 10 0 CDAERP O=C(C[C@H]1CCC[NH2+]C1)NCCC[NH+]1CCCCC1 ZINC000054305923 358713428 /nfs/dbraw/zinc/71/34/28/358713428.db2.gz MZGANZCULWJEHR-CQSZACIVSA-N 2 0 267.417 1.368 10 0 CDAERP CC[NH+](CC)CCCNC(=O)c1ccccc1CC[NH3+] ZINC000070551646 358968442 /nfs/dbraw/zinc/96/84/42/358968442.db2.gz YQFUWGUPLBCXCJ-UHFFFAOYSA-N 2 0 277.412 1.650 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)NCCC[NH+]1CCCCC1 ZINC000070551780 358968727 /nfs/dbraw/zinc/96/87/27/358968727.db2.gz MQRGRISHOWUTEU-UHFFFAOYSA-N 2 0 289.423 1.794 10 0 CDAERP COC(=O)c1ccc(CN(C)C[C@]2(C)CC[NH2+]C2)cc1 ZINC000262151642 359139513 /nfs/dbraw/zinc/13/95/13/359139513.db2.gz ZYPYODQYEVNIEO-MRXNPFEDSA-N 2 0 276.380 1.905 10 0 CDAERP CO[C@@]1(C)C[C@@H](N(C)Cc2noc(CN)n2)C1(C)C ZINC000262151924 359139530 /nfs/dbraw/zinc/13/95/30/359139530.db2.gz GBZJTVNXFDQLTJ-RNCFNFMXSA-N 2 0 268.361 1.164 10 0 CDAERP CNC(=O)c1ccc(C[NH2+]CCCC[NH+](C)C)cc1 ZINC000045598275 359157383 /nfs/dbraw/zinc/15/73/83/359157383.db2.gz AZAZTQWREBNIFA-UHFFFAOYSA-N 2 0 263.385 1.478 10 0 CDAERP [NH3+]CCCCCCC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000037812610 359226013 /nfs/dbraw/zinc/22/60/13/359226013.db2.gz MZIRBTHVIIDYQG-ZDUSSCGKSA-N 2 0 253.390 1.202 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC000347535666 359427139 /nfs/dbraw/zinc/42/71/39/359427139.db2.gz YCBYKFALFDOAKR-ZDUSSCGKSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115417301 359541781 /nfs/dbraw/zinc/54/17/81/359541781.db2.gz GROWNNJWNJUFDI-UHFFFAOYSA-N 2 0 295.402 1.844 10 0 CDAERP C[C@H]1CN(C)C[C@H]1[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000347714367 359542937 /nfs/dbraw/zinc/54/29/37/359542937.db2.gz DSOUSSWJHSMGIB-XJKSGUPXSA-N 2 0 261.413 1.788 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000422883492 359666328 /nfs/dbraw/zinc/66/63/28/359666328.db2.gz CIEIEZLSOFVELT-QXKUPLGCSA-N 2 0 283.460 1.591 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000297253384 200126661 /nfs/dbraw/zinc/12/66/61/200126661.db2.gz OPGGQGNAKVHWJF-OAHLLOKOSA-N 2 0 286.379 1.825 10 0 CDAERP c1ccc(C[C@@H]2C[C@@H]2[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)cc1 ZINC000422926630 359679599 /nfs/dbraw/zinc/67/95/99/359679599.db2.gz XDLJMSJVILEIST-XDNAFOTISA-N 2 0 286.419 1.974 10 0 CDAERP CC(C)C(=O)N1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000348038972 359788739 /nfs/dbraw/zinc/78/87/39/359788739.db2.gz DXXYDKQSNKSMAS-CQSZACIVSA-N 2 0 267.417 1.271 10 0 CDAERP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)CC3(O)CCC3)CC[C@H]21 ZINC000528403265 359948753 /nfs/dbraw/zinc/94/87/53/359948753.db2.gz CKVBDPHBASQROF-QLFBSQMISA-N 2 0 282.428 1.069 10 0 CDAERP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)[C@@H]1CCCOC1 ZINC000356838414 299303339 /nfs/dbraw/zinc/30/33/39/299303339.db2.gz DNHIZVKKKCXRIW-RRFJBIMHSA-N 2 0 270.417 1.238 10 0 CDAERP CN1CC[C@@H](C[NH2+]C2CC[NH+](C(C)(C)C)CC2)CC1=O ZINC000424334074 360010472 /nfs/dbraw/zinc/01/04/72/360010472.db2.gz WJCJLIFVMZKGHJ-CYBMUJFWSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@]1(C(=O)N2CCC(C[NH+]3CCCC3)CC2)CCC[NH2+]C1 ZINC000062857792 360013650 /nfs/dbraw/zinc/01/36/50/360013650.db2.gz JNBZVWFFQFIZIQ-KRWDZBQOSA-N 2 0 293.455 1.711 10 0 CDAERP CC[C@]1(C(=O)N(C)C2CC[NH+](C(C)C)CC2)CC[NH2+]C1 ZINC000062894909 360025967 /nfs/dbraw/zinc/02/59/67/360025967.db2.gz BFPKWWHKYXTJBM-INIZCTEOSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@@]1(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)CC[NH2+]C1 ZINC000062896825 360027092 /nfs/dbraw/zinc/02/70/92/360027092.db2.gz IZEWDMPKQSTREP-GDBMZVCRSA-N 2 0 281.444 1.614 10 0 CDAERP C[C@@]1(CN2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000062910800 360029618 /nfs/dbraw/zinc/02/96/18/360029618.db2.gz YPAGTLYJGXFOES-QGZVFWFLSA-N 2 0 273.424 1.804 10 0 CDAERP CC[C@H]([NH2+]C[C@H]1CCN(C)C(=O)C1)[C@H]1CCCC[NH2+]1 ZINC000424383019 360033309 /nfs/dbraw/zinc/03/33/09/360033309.db2.gz SSONVSWZTPLOET-MELADBBJSA-N 2 0 267.417 1.365 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000424455888 360067178 /nfs/dbraw/zinc/06/71/78/360067178.db2.gz URWPYBHFISTULR-HUUCEWRRSA-N 2 0 296.459 1.678 10 0 CDAERP C[C@@H]([NH3+])CCNc1ncnc2c1cnn2-c1ccccc1 ZINC000063171681 360079270 /nfs/dbraw/zinc/07/92/70/360079270.db2.gz IJPCTGZWYMQCBF-LLVKDONJSA-N 2 0 282.351 1.965 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000566481248 360447175 /nfs/dbraw/zinc/44/71/75/360447175.db2.gz BRBAMIGMVLPLHX-CIDNJEQPSA-N 3 0 280.460 1.062 10 0 CDAERP Cc1cccc(NC(=O)CN2CCN(c3ncc[nH]3)CC2)c1 ZINC000514986656 360414515 /nfs/dbraw/zinc/41/45/15/360414515.db2.gz FCJISMMVURIKNP-UHFFFAOYSA-N 2 0 299.378 1.479 10 0 CDAERP CC(C)[NH2+]CCCNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000515522616 360508809 /nfs/dbraw/zinc/50/88/09/360508809.db2.gz AMHKMHHYPHOEEM-ZIAGYGMSSA-N 2 0 284.448 1.499 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000626921692 360627535 /nfs/dbraw/zinc/62/75/35/360627535.db2.gz OITXJMJFNNPHAP-JSGCOSHPSA-N 2 0 282.432 1.299 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000626947067 360685402 /nfs/dbraw/zinc/68/54/02/360685402.db2.gz KKEHVPQSOXRVSD-CBBWQLFWSA-N 2 0 296.459 1.547 10 0 CDAERP C1CCC([NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000335642416 360686724 /nfs/dbraw/zinc/68/67/24/360686724.db2.gz JYUZXEBXADUNAT-UHFFFAOYSA-N 2 0 251.418 1.735 10 0 CDAERP COC(=O)CCCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000348898677 360660700 /nfs/dbraw/zinc/66/07/00/360660700.db2.gz YXKGWRXCZDLLBW-KBPBESRZSA-N 2 0 268.401 1.936 10 0 CDAERP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000422792688 296020734 /nfs/dbraw/zinc/02/07/34/296020734.db2.gz RKSRMAQPTFFXPC-HZPDHXFCSA-N 3 0 296.503 1.652 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+]Cc1cnc(C)nc1 ZINC000350313459 361044752 /nfs/dbraw/zinc/04/47/52/361044752.db2.gz HANKVSHONIJYRN-UHFFFAOYSA-N 2 0 266.389 1.233 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CC[NH+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000366176904 361082022 /nfs/dbraw/zinc/08/20/22/361082022.db2.gz CSUSPRHVFWTOCV-IUOOZAAYSA-N 2 0 266.429 1.954 10 0 CDAERP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCCSC2)CCCO1 ZINC000432359484 361155376 /nfs/dbraw/zinc/15/53/76/361155376.db2.gz QQNLBEUPEOCQQB-KGLIPLIRSA-N 2 0 272.458 1.973 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000389156133 361125590 /nfs/dbraw/zinc/12/55/90/361125590.db2.gz XJBBQNJELKQDTC-UKRRQHHQSA-N 2 0 271.449 1.007 10 0 CDAERP C[NH+](C)CCNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000133496342 361394583 /nfs/dbraw/zinc/39/45/83/361394583.db2.gz CXDHXULSAFGIKH-HNNXBMFYSA-N 2 0 292.427 1.020 10 0 CDAERP CC[NH+](CC)CCSCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159069319 361552604 /nfs/dbraw/zinc/55/26/04/361552604.db2.gz YFHLSTKCIUNSAK-OKILXGFUSA-N 2 0 299.484 1.414 10 0 CDAERP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000122122239 370746941 /nfs/dbraw/zinc/74/69/41/370746941.db2.gz IMEOZIFBFGKQHJ-CABCVRRESA-N 2 0 298.475 1.748 10 0 CDAERP CCCN(CC[NH+](CC)CC)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000569019733 294144011 /nfs/dbraw/zinc/14/40/11/294144011.db2.gz NZUQIGUAUKKNHD-HNNXBMFYSA-N 2 0 283.460 1.909 10 0 CDAERP COC[C@@H](C)C[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000187681527 364801007 /nfs/dbraw/zinc/80/10/07/364801007.db2.gz LMTAZQFUHQCVBD-AWEZNQCLSA-N 2 0 280.412 1.999 10 0 CDAERP O=C(N[C@@H]1CC[N@@H+](CCCCCF)C1)C12CC[NH+](CC1)C2 ZINC001661034240 1172326760 /nfs/dbraw/zinc/32/67/60/1172326760.db2.gz CMDVTYFUVKYJKQ-CQSZACIVSA-N 2 0 297.418 1.413 10 0 CDAERP C[C@@H](NC(=O)NCC1(C[NH+](C)C)CCCC1)[C@H](C)[NH3+] ZINC000418022038 296077319 /nfs/dbraw/zinc/07/73/19/296077319.db2.gz KRQAQNGKGHQQAQ-NWDGAFQWSA-N 2 0 270.421 1.143 10 0 CDAERP C[N@@H+]1CC[C@H](NCCC[NH+]2CCC(O)CC2)[C@@H]2CCC[C@@H]21 ZINC000353506404 365264546 /nfs/dbraw/zinc/26/45/46/365264546.db2.gz YAVJGRITQCHWAB-ULQDDVLXSA-N 2 0 295.471 1.296 10 0 CDAERP CCCn1cc(C[NH+]2CCC(OCC[NH+](C)C)CC2)cn1 ZINC000353552003 365293749 /nfs/dbraw/zinc/29/37/49/365293749.db2.gz VWHMMSYLCWRGOC-UHFFFAOYSA-N 2 0 294.443 1.836 10 0 CDAERP Cc1nnc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)s1 ZINC000353563963 365300669 /nfs/dbraw/zinc/30/06/69/365300669.db2.gz GUMRANOOQAUFFX-XQQFMLRXSA-N 2 0 280.441 1.851 10 0 CDAERP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)[C@H]1C[C@H]1C ZINC000414125698 241078694 /nfs/dbraw/zinc/07/86/94/241078694.db2.gz QINYQXAQPUMAAX-RFGFWPKPSA-N 2 0 267.417 1.208 10 0 CDAERP CCC[C@@H](C)C[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414483307 241225262 /nfs/dbraw/zinc/22/52/62/241225262.db2.gz MTWVPGRVJGQPPB-MRXNPFEDSA-N 2 0 297.487 1.809 10 0 CDAERP C[C@H]1CC[C@@H](NC(=O)NCCC2CC[NH+](C)CC2)C[NH2+]1 ZINC000626968812 367103935 /nfs/dbraw/zinc/10/39/35/367103935.db2.gz LOLPQVVXPTUTNO-GXTWGEPZSA-N 2 0 282.432 1.158 10 0 CDAERP C[C@@H](CNC(=O)N[C@@H]1CC[NH2+]C12CCC2)[N@H+](C)C1CC1 ZINC000626970694 367107991 /nfs/dbraw/zinc/10/79/91/367107991.db2.gz TVDJCQCZSVGUAP-WCQYABFASA-N 2 0 280.416 1.053 10 0 CDAERP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000566854598 370827335 /nfs/dbraw/zinc/82/73/35/370827335.db2.gz BEWLAPOUHSFIRM-HZSPNIEDSA-N 2 0 267.417 1.447 10 0 CDAERP [NH3+]CC1(O)CC[NH+](Cc2ccnn2-c2ccccc2)CC1 ZINC000415141876 241595125 /nfs/dbraw/zinc/59/51/25/241595125.db2.gz NVTRSEGMANKQEN-UHFFFAOYSA-N 2 0 286.379 1.158 10 0 CDAERP C[C@H](CCNC(=O)N[C@@H]1CC[NH2+][C@H]1C)[NH+]1CCCCC1 ZINC000627014046 367237533 /nfs/dbraw/zinc/23/75/33/367237533.db2.gz ROYKGAYAEVEQDJ-HZSPNIEDSA-N 2 0 282.432 1.301 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000627020207 367244501 /nfs/dbraw/zinc/24/45/01/367244501.db2.gz BZFOSSFDJDEURJ-LSDHHAIUSA-N 2 0 294.443 1.301 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)C(C)C ZINC000358116747 367443866 /nfs/dbraw/zinc/44/38/66/367443866.db2.gz DOBMGPRYLWYYJC-KGLIPLIRSA-N 2 0 269.433 1.706 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627108910 367454933 /nfs/dbraw/zinc/45/49/33/367454933.db2.gz NHSSIYFVQALSRF-QWHCGFSZSA-N 2 0 270.421 1.014 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)NCC[NH+]1CC=C(C)CC1 ZINC000358187800 367499848 /nfs/dbraw/zinc/49/98/48/367499848.db2.gz KGJFLLSKVHFOFJ-UHFFFAOYSA-N 2 0 296.459 1.670 10 0 CDAERP C[C@@H](NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@H](C)[NH3+] ZINC000416835008 242175442 /nfs/dbraw/zinc/17/54/42/242175442.db2.gz STIKFXLYDTWDOZ-XQQFMLRXSA-N 2 0 294.399 1.451 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)N[C@@H]2CC[NH2+][C@H]2CC)CC1 ZINC000627158656 367587237 /nfs/dbraw/zinc/58/72/37/367587237.db2.gz AXNNWAXZACMUIE-HZSPNIEDSA-N 2 0 282.432 1.253 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000417009984 242267788 /nfs/dbraw/zinc/26/77/88/242267788.db2.gz OGEDQHROPVWGIQ-APIJFGDWSA-N 2 0 296.459 1.404 10 0 CDAERP C[C@@H](NC(=O)NCCC[N@H+](C)C1CCCCC1)[C@H](C)[NH3+] ZINC000417025596 242278491 /nfs/dbraw/zinc/27/84/91/242278491.db2.gz XVDUEDQNDMXXOH-QWHCGFSZSA-N 2 0 284.448 1.676 10 0 CDAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCCCC[NH3+] ZINC000417202864 242357456 /nfs/dbraw/zinc/35/74/56/242357456.db2.gz XZLNQLCXXTYZFU-HNNXBMFYSA-N 2 0 292.427 1.197 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000627226878 367773854 /nfs/dbraw/zinc/77/38/54/367773854.db2.gz UFVBOCUOSFQGPH-ZNMIVQPWSA-N 2 0 294.443 1.112 10 0 CDAERP [NH3+][C@H]1CC=C(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000638051817 367814793 /nfs/dbraw/zinc/81/47/93/367814793.db2.gz RZFHOMXALDYKRX-JKSUJKDBSA-N 2 0 285.391 1.425 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000627237798 367799951 /nfs/dbraw/zinc/79/99/51/367799951.db2.gz WDXXKVHLJRBPBU-GXTWGEPZSA-N 2 0 280.416 1.007 10 0 CDAERP C[NH+](C)C[C@H](NC(=O)CCC1C[NH2+]C1)c1ccccc1 ZINC000638053582 367857673 /nfs/dbraw/zinc/85/76/73/367857673.db2.gz JSQJGWBQHLXINZ-HNNXBMFYSA-N 2 0 275.396 1.405 10 0 CDAERP Cc1ccc(O)c(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)n1 ZINC000282480403 367905656 /nfs/dbraw/zinc/90/56/56/367905656.db2.gz VHQWWZFOUZWMJK-UHFFFAOYSA-N 2 0 292.427 1.211 10 0 CDAERP CCC[NH2+]CCNC(=O)NCCC1CC[NH+](CC)CC1 ZINC000417752308 242642911 /nfs/dbraw/zinc/64/29/11/242642911.db2.gz QOBKDMASLWIVRQ-UHFFFAOYSA-N 2 0 284.448 1.407 10 0 CDAERP O=C(CCC1C[NH2+]C1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000638098731 368333963 /nfs/dbraw/zinc/33/39/63/368333963.db2.gz DRGJFGBFMQCTQP-AWEZNQCLSA-N 2 0 265.401 1.073 10 0 CDAERP [NH3+][C@H](CNC(=O)NC1CCC([NH3+])CC1)c1ccccc1 ZINC000418382060 243008062 /nfs/dbraw/zinc/00/80/62/243008062.db2.gz HRBBZVBYHWDHRF-JXQTWKCFSA-N 2 0 276.384 1.256 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)NC(C)(C)C[NH3+])cc1 ZINC000418460618 243106802 /nfs/dbraw/zinc/10/68/02/243106802.db2.gz KGGFIAKKNBDZIY-SNVBAGLBSA-N 2 0 264.373 1.243 10 0 CDAERP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000250834293 284051796 /nfs/dbraw/zinc/05/17/96/284051796.db2.gz KHROXDQOEUOZJL-MXYBEHONSA-N 2 0 277.412 1.260 10 0 CDAERP C[NH+](C)CCCC(C)(C)NC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418571548 243225653 /nfs/dbraw/zinc/22/56/53/243225653.db2.gz JXPIHEKREYJWQJ-CYBMUJFWSA-N 2 0 284.448 1.548 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000418583041 243237193 /nfs/dbraw/zinc/23/71/93/243237193.db2.gz WHKYRWJNULCAJP-HIFRSBDPSA-N 2 0 296.459 1.500 10 0 CDAERP CCCN(CCC[NH+](C)C)C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000418689226 243343079 /nfs/dbraw/zinc/34/30/79/243343079.db2.gz BWDQXLXLOHBVOP-NEPJUHHUSA-N 2 0 258.410 1.095 10 0 CDAERP CC[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2CC[NH3+])C1 ZINC000070552111 368745691 /nfs/dbraw/zinc/74/56/91/368745691.db2.gz JPRUYCWJAFSFSW-ZDUSSCGKSA-N 2 0 275.396 1.259 10 0 CDAERP O=C(N[C@@H]1CC12CC[NH2+]CC2)C12CCC[NH+](CCC1)C2 ZINC000638244641 368864717 /nfs/dbraw/zinc/86/47/17/368864717.db2.gz JSYKODLJGRNCEP-CYBMUJFWSA-N 2 0 277.412 1.121 10 0 CDAERP O=C(CCC1CC[NH2+]CC1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000362433871 369102848 /nfs/dbraw/zinc/10/28/48/369102848.db2.gz PWBHZDGUBDGCJE-HZPDHXFCSA-N 2 0 293.455 1.757 10 0 CDAERP CS[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH+](C)C ZINC000362963271 369125318 /nfs/dbraw/zinc/12/53/18/369125318.db2.gz KFTWQGRSUMBNIU-KGLIPLIRSA-N 2 0 299.484 1.222 10 0 CDAERP CCCCNC(=O)C1([NH2+]CCC[NH3+])CCCCC1 ZINC000420303395 244052019 /nfs/dbraw/zinc/05/20/19/244052019.db2.gz NGRYYWJRVIBGFA-UHFFFAOYSA-N 2 0 255.406 1.544 10 0 CDAERP Cc1nccc(N2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)n1 ZINC000420358045 244138653 /nfs/dbraw/zinc/13/86/53/244138653.db2.gz IWMJIMMBXXXURF-OAHLLOKOSA-N 2 0 289.427 1.297 10 0 CDAERP CCn1cc(CC[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cn1 ZINC000368352550 369446417 /nfs/dbraw/zinc/44/64/17/369446417.db2.gz SXZOOQHPSSZJGU-HNNXBMFYSA-N 2 0 262.401 1.473 10 0 CDAERP C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)OC[C@@H]1CCCO1 ZINC000567386938 370975632 /nfs/dbraw/zinc/97/56/32/370975632.db2.gz RKYDZPORZOEQGT-ZNMIVQPWSA-N 2 0 268.401 1.113 10 0 CDAERP Cc1cn2cc(NC(=O)N3C[C@H](C[NH3+])C[C@H]3C)ccc2n1 ZINC000567356993 370964962 /nfs/dbraw/zinc/96/49/62/370964962.db2.gz KKRAULSXSJELNK-NEPJUHHUSA-N 2 0 287.367 1.844 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C(N)=O)cc2)[C@H]2CCC[C@@H]21 ZINC000375782682 370968979 /nfs/dbraw/zinc/96/89/79/370968979.db2.gz MXXLYGNPHLJTNX-PMPSAXMXSA-N 2 0 287.407 1.748 10 0 CDAERP C[C@@H]1C[C@H](C)[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000548096941 369751483 /nfs/dbraw/zinc/75/14/83/369751483.db2.gz XDFBMIQMZCCGIE-IJEWVQPXSA-N 2 0 289.423 1.888 10 0 CDAERP CCC[C@@H](C(=O)NCC[N@@H+]1CCC[C@H](C)C1)[NH+](C)C ZINC000136030084 369777415 /nfs/dbraw/zinc/77/74/15/369777415.db2.gz BJJUWTMXVOKLRF-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@H](C(=O)N1CCC([NH+](C)C)CC1)[NH+]1CCCCCC1 ZINC000118770651 369886512 /nfs/dbraw/zinc/88/65/12/369886512.db2.gz SDAJCGMKAORTSV-CQSZACIVSA-N 2 0 281.444 1.804 10 0 CDAERP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353532431 370223054 /nfs/dbraw/zinc/22/30/54/370223054.db2.gz WSWVYIJHLOWGIR-BTFPBAQTSA-N 2 0 254.418 1.856 10 0 CDAERP O=C(NC1CC[NH+](C2CC2)CC1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000252416125 370204368 /nfs/dbraw/zinc/20/43/68/370204368.db2.gz SJBNIHQHVQUCJL-WQVCFCJDSA-N 2 0 291.439 1.650 10 0 CDAERP [NH3+]C1(CNC(=O)NCC2([NH3+])CCCCCC2)CCCCC1 ZINC000418281146 370419451 /nfs/dbraw/zinc/41/94/51/370419451.db2.gz CMXMXDGIACZADK-UHFFFAOYSA-N 2 0 296.459 1.999 10 0 CDAERP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000414953756 371036970 /nfs/dbraw/zinc/03/69/70/371036970.db2.gz KBPDQTCXVDBACA-XJKSGUPXSA-N 2 0 270.380 1.960 10 0 CDAERP COCCOc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000414956740 371061090 /nfs/dbraw/zinc/06/10/90/371061090.db2.gz NRZJVCCJNUUVOW-BBRMVZONSA-N 2 0 278.396 1.799 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)c2ccnc(C[NH3+])c2)cc1 ZINC000567666281 371087128 /nfs/dbraw/zinc/08/71/28/371087128.db2.gz IMWMODYHPGOXLU-LLVKDONJSA-N 2 0 284.363 1.490 10 0 CDAERP COCC1(C[NH2+]Cc2cc(OC)cc(C)n2)CC[NH2+]CC1 ZINC000414971222 371132762 /nfs/dbraw/zinc/13/27/62/371132762.db2.gz IIHIINFIVSRXRA-UHFFFAOYSA-N 2 0 293.411 1.504 10 0 CDAERP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)C1CC1 ZINC000340493537 371134112 /nfs/dbraw/zinc/13/41/12/371134112.db2.gz VHEJBSGZESNXRV-GBJTYRQASA-N 2 0 252.402 1.874 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](N[C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000422835782 245315660 /nfs/dbraw/zinc/31/56/60/245315660.db2.gz JAZZSPWNLCAIBI-FZKCQIBNSA-N 2 0 281.444 1.216 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCC(=O)N1CCCCCC1 ZINC000422841617 245322762 /nfs/dbraw/zinc/32/27/62/245322762.db2.gz DILKTEUWZDXAAW-AWEZNQCLSA-N 2 0 285.432 1.123 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCN[C@H]1CCCC[C@H]1C[NH3+] ZINC000422856817 245340205 /nfs/dbraw/zinc/34/02/05/245340205.db2.gz GRIORIACLPYUNA-ILXRZTDVSA-N 2 0 253.434 1.968 10 0 CDAERP CCCN(C(=O)CC[C@@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH2+]C1 ZINC000567829524 371163310 /nfs/dbraw/zinc/16/33/10/371163310.db2.gz YRCPCUKJBHZOTA-LSDHHAIUSA-N 2 0 281.444 1.851 10 0 CDAERP CN(CC1CC1)C(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123493191 371477281 /nfs/dbraw/zinc/47/72/81/371477281.db2.gz VEKBVUVIJMLQHN-UHFFFAOYSA-N 2 0 295.471 1.909 10 0 CDAERP CN(CCC(=O)N1CC[N@H+](C)C(C)(C)C1)c1cc[nH+]cc1 ZINC000573385123 371526680 /nfs/dbraw/zinc/52/66/80/371526680.db2.gz PACFGQPRBPEIDF-UHFFFAOYSA-N 2 0 290.411 1.461 10 0 CDAERP C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000573699273 371628284 /nfs/dbraw/zinc/62/82/84/371628284.db2.gz HOOCWNJZZMUVFV-BPUTZDHNSA-N 2 0 279.428 1.496 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)[C@@H]2CCOC2)[C@@H]2CCC[C@H]21 ZINC000353589180 371989231 /nfs/dbraw/zinc/98/92/31/371989231.db2.gz PIKNKRANYHXOJA-RBGFHDKUSA-N 2 0 282.428 1.094 10 0 CDAERP C[NH+]1CCN(C[C@H](O)C[NH2+]CC(C)(C)C2CCC2)CC1 ZINC000578006342 372217446 /nfs/dbraw/zinc/21/74/46/372217446.db2.gz BVSNIBMCXNFKKU-OAHLLOKOSA-N 2 0 283.460 1.011 10 0 CDAERP C[C@H](CC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)[C@H]1CCC[NH2+]C1 ZINC000578172994 372332045 /nfs/dbraw/zinc/33/20/45/372332045.db2.gz VWXLHMRJBXKGGS-VYDXJSESSA-N 2 0 293.455 1.614 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333138396 205063377 /nfs/dbraw/zinc/06/33/77/205063377.db2.gz CQQSVEWUFWTESN-LSDHHAIUSA-N 2 0 296.459 1.692 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)CCCC[NH3+])C1 ZINC000423092350 245565374 /nfs/dbraw/zinc/56/53/74/245565374.db2.gz BMBFBQFALJETBW-XQQFMLRXSA-N 2 0 256.390 1.825 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C2CCC2)CC1 ZINC000179571134 372993193 /nfs/dbraw/zinc/99/31/93/372993193.db2.gz LABAAOHQKCOKGC-HNNXBMFYSA-N 2 0 251.418 1.641 10 0 CDAERP C[C@H]([NH2+]CCN1CC[NH2+]CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423200211 245658704 /nfs/dbraw/zinc/65/87/04/245658704.db2.gz DWSMZHOLUFPWGU-XIRDDKMYSA-N 2 0 273.424 1.673 10 0 CDAERP C[N@@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH3+])C2)[C@H]1c1ccccc1 ZINC000333510756 205390047 /nfs/dbraw/zinc/39/00/47/205390047.db2.gz FJJNTLCPXJVXTL-SOUVJXGZSA-N 2 0 288.395 1.174 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000341055439 373251468 /nfs/dbraw/zinc/25/14/68/373251468.db2.gz QYCBZRADAYTZPV-MGPQQGTHSA-N 2 0 284.448 1.451 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)Nc1nc(C)nc(N(C)C)n1 ZINC000341123117 373323290 /nfs/dbraw/zinc/32/32/90/373323290.db2.gz OMRUJGVVZRUXIF-NSHDSACASA-N 2 0 280.420 1.200 10 0 CDAERP COCCN(C)C[C@H](O)C[N@H+](C)C[C@H](C)C(C)(C)C ZINC000399537561 373560894 /nfs/dbraw/zinc/56/08/94/373560894.db2.gz XDUBHVUJFSFWFW-KBPBESRZSA-N 2 0 274.449 1.540 10 0 CDAERP CC(C)N(C(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1)C(C)C ZINC000631841582 373831864 /nfs/dbraw/zinc/83/18/64/373831864.db2.gz MRFPQBILVSEVJC-HZSPNIEDSA-N 2 0 269.433 1.547 10 0 CDAERP C[C@@H]1C[N@H+](CCc2ccc3c(c2)CCO3)C[C@@H]1C[NH3+] ZINC000631839928 373785646 /nfs/dbraw/zinc/78/56/46/373785646.db2.gz MNSSNJUYLBJUIC-DOMZBBRYSA-N 2 0 260.381 1.691 10 0 CDAERP C[C@H]1CN(CC(=O)Nc2ccc(F)cc2F)C[C@@H]1C[NH3+] ZINC000631843081 373885293 /nfs/dbraw/zinc/88/52/93/373885293.db2.gz JEWLRLWTBGHKAD-UWVGGRQHSA-N 2 0 283.322 1.430 10 0 CDAERP C[C@H]1C[N@H+](Cc2cnn(-c3ccccc3)c2)C[C@@H]1C[NH3+] ZINC000631842354 373856746 /nfs/dbraw/zinc/85/67/46/373856746.db2.gz ZHSGOVNPKRNFRM-ZFWWWQNUSA-N 2 0 270.380 1.899 10 0 CDAERP CC[N@H+](C)C[C@@H](O)CN1CCC(CC)([NH+](C)C)CC1 ZINC000640016345 373989788 /nfs/dbraw/zinc/98/97/88/373989788.db2.gz ZEKXLEHJUJJUEQ-CQSZACIVSA-N 2 0 271.449 1.105 10 0 CDAERP CCC[C@H]([NH3+])C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000037826035 374037620 /nfs/dbraw/zinc/03/76/20/374037620.db2.gz ZLRZHNZVBHBAKH-AWEZNQCLSA-N 2 0 269.433 1.693 10 0 CDAERP C[NH2+]C[C@@H]1CCCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)C1 ZINC000418406418 374252795 /nfs/dbraw/zinc/25/27/95/374252795.db2.gz CFICLCCLWPMBOC-DZGCQCFKSA-N 2 0 290.411 1.327 10 0 CDAERP CC[NH2+]CC1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000418585565 374418010 /nfs/dbraw/zinc/41/80/10/374418010.db2.gz YPJIDPOZSDDCDG-GXTWGEPZSA-N 2 0 282.432 1.016 10 0 CDAERP C[C@H]([NH2+]CCC[NH3+])c1ccc2c(c1)OCCCO2 ZINC000037713336 374595448 /nfs/dbraw/zinc/59/54/48/374595448.db2.gz YEMZLIAIRBDGQC-NSHDSACASA-N 2 0 250.342 1.847 10 0 CDAERP C[C@H]1C[C@@H](NC(=O)N2CC[NH+]3CCC2CC3)C[N@@H+]1C1CC1 ZINC000334318093 374889338 /nfs/dbraw/zinc/88/93/38/374889338.db2.gz RNCNLCNISCYNFO-QWHCGFSZSA-N 2 0 292.427 1.101 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)NCCC[NH3+])c1ccc(Cl)cc1 ZINC000564065223 375686533 /nfs/dbraw/zinc/68/65/33/375686533.db2.gz UWLOGZOOHGOMMP-CYBMUJFWSA-N 2 0 298.818 1.591 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000417009606 375714340 /nfs/dbraw/zinc/71/43/40/375714340.db2.gz NSPHISWZBLWVTC-MGPQQGTHSA-N 2 0 282.432 1.110 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)C[N@H+](CC)C1CC1 ZINC000135953650 375743908 /nfs/dbraw/zinc/74/39/08/375743908.db2.gz WVDHOTXEVHZRLR-GFCCVEGCSA-N 2 0 255.406 1.317 10 0 CDAERP CC[C@H](C[NH+]1CCCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@H]1CC ZINC000631330591 376110985 /nfs/dbraw/zinc/11/09/85/376110985.db2.gz SFZRDUBBNYVIBE-KFWWJZLASA-N 2 0 281.444 1.707 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N(C)[C@H](C)C[NH3+])CC1 ZINC000417390980 376316811 /nfs/dbraw/zinc/31/68/11/376316811.db2.gz MKYOCQGIHVDNNM-GFCCVEGCSA-N 2 0 270.421 1.097 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000638975229 376326742 /nfs/dbraw/zinc/32/67/42/376326742.db2.gz HGNMEGOLAYTUIV-QWHCGFSZSA-N 2 0 267.417 1.317 10 0 CDAERP CS[C@@H]1CC[C@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000425388665 376993330 /nfs/dbraw/zinc/99/33/30/376993330.db2.gz WLURUCKAOBNENU-CHWSQXEVSA-N 2 0 271.474 1.496 10 0 CDAERP CN(C(=O)C1([NH3+])CCCCC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000334661100 377250195 /nfs/dbraw/zinc/25/01/95/377250195.db2.gz CHLXLBWJSATVCT-CYBMUJFWSA-N 2 0 265.401 1.343 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001662220319 1172510955 /nfs/dbraw/zinc/51/09/55/1172510955.db2.gz WMPVZYOJMXXTLV-LSDHHAIUSA-N 2 0 281.444 1.920 10 0 CDAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000165644454 377932062 /nfs/dbraw/zinc/93/20/62/377932062.db2.gz GLJRGALAFPILGL-HOTGVXAUSA-N 2 0 289.423 1.418 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)CC[N@@H+]1C ZINC000633032439 378058660 /nfs/dbraw/zinc/05/86/60/378058660.db2.gz JSPNUSYQZLOIQJ-YHUYYLMFSA-N 2 0 293.455 1.802 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@H](C)[NH+](CC)CC ZINC000245398161 378086127 /nfs/dbraw/zinc/08/61/27/378086127.db2.gz RRYKPZQDDCQWHC-KGLIPLIRSA-N 2 0 286.464 1.746 10 0 CDAERP CCOCC[C@@H](O)C[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000444590336 250150042 /nfs/dbraw/zinc/15/00/42/250150042.db2.gz BKTMXIVQZAMNDR-MRXNPFEDSA-N 2 0 286.460 1.828 10 0 CDAERP O[C@@H]1CC[N@@H+](C2CC[NH+](CC3CC=CC3)CC2)C1 ZINC000662147381 412905745 /nfs/dbraw/zinc/90/57/45/412905745.db2.gz FJSICTCWILCVKB-OAHLLOKOSA-N 2 0 250.386 1.484 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccncc1 ZINC000657573670 412907699 /nfs/dbraw/zinc/90/76/99/412907699.db2.gz OEPMCZNSUSARFO-AWEZNQCLSA-N 2 0 264.417 1.443 10 0 CDAERP CC(C)CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001662685354 1172581124 /nfs/dbraw/zinc/58/11/24/1172581124.db2.gz HZCOEABGDCUMCN-CVEARBPZSA-N 2 0 295.471 1.812 10 0 CDAERP Cc1cnc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cn1 ZINC000453389333 252309377 /nfs/dbraw/zinc/30/93/77/252309377.db2.gz CEBXTECCNQGMAY-OAGGEKHMSA-N 2 0 274.412 1.790 10 0 CDAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC000355410827 285031831 /nfs/dbraw/zinc/03/18/31/285031831.db2.gz LRKVPZKGSYONKF-ZNMIVQPWSA-N 2 0 297.443 1.086 10 0 CDAERP COCC[N@H+](CCCn1ccnc1)[C@H]1CCOC1 ZINC000490095181 253029354 /nfs/dbraw/zinc/02/93/54/253029354.db2.gz XAWKOONVRYXQMZ-ZDUSSCGKSA-N 2 0 253.346 1.011 10 0 CDAERP CC1(C)CCC[C@H]1[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000492890411 253318448 /nfs/dbraw/zinc/31/84/48/253318448.db2.gz LTAWABPFVXNRHF-OAHLLOKOSA-N 2 0 293.455 1.898 10 0 CDAERP CCN(C(=O)NCC[NH+](C)C1CCCC1)[C@H]1CC[N@H+](C)C1 ZINC000664006276 413013120 /nfs/dbraw/zinc/01/31/20/413013120.db2.gz LMNOGUVRAPKYHY-HNNXBMFYSA-N 2 0 296.459 1.596 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000220939614 285236819 /nfs/dbraw/zinc/23/68/19/285236819.db2.gz GPAZVHSRZKTBAT-MGPQQGTHSA-N 2 0 267.417 1.447 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccccc1C[NH2+]C ZINC000653349682 413025362 /nfs/dbraw/zinc/02/53/62/413025362.db2.gz YCHWDWZFEXDGFH-MRXNPFEDSA-N 2 0 289.423 1.897 10 0 CDAERP Cc1cc(CO)cc(N2CCC[C@H]3C[N@@H+](C)C[C@H]32)n1 ZINC000664036938 413040436 /nfs/dbraw/zinc/04/04/36/413040436.db2.gz YZUBOJOZBWLWLC-UONOGXRCSA-N 2 0 261.369 1.413 10 0 CDAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000646979437 390330473 /nfs/dbraw/zinc/33/04/73/390330473.db2.gz MVQMUUFREXJHGB-WFASDCNBSA-N 2 0 275.396 1.476 10 0 CDAERP C[C@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000647245654 390623053 /nfs/dbraw/zinc/62/30/53/390623053.db2.gz ZDMHXVCHZHOLDR-DRPJVOAASA-N 2 0 275.396 1.841 10 0 CDAERP C[C@]1(C[N@@H+]2CC[C@]3(C2)c2ccccc2NC3=O)CC[NH2+]C1 ZINC000647538782 390687583 /nfs/dbraw/zinc/68/75/83/390687583.db2.gz HNEHJBBRHVHBGD-IRXDYDNUSA-N 2 0 285.391 1.582 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000237513477 390846418 /nfs/dbraw/zinc/84/64/18/390846418.db2.gz WVKBSQIYFICXLQ-LXTVHRRPSA-N 2 0 281.444 1.598 10 0 CDAERP CCCC(=O)NC1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000647514224 390980663 /nfs/dbraw/zinc/98/06/63/390980663.db2.gz RPDITLOEDDZYMS-OAHLLOKOSA-N 2 0 267.417 1.367 10 0 CDAERP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647550860 390998856 /nfs/dbraw/zinc/99/88/56/390998856.db2.gz LJPXBJIRDAKVJF-AEAUEXCSSA-N 2 0 290.455 1.946 10 0 CDAERP C[C@@H]1C[C@@H](C[NH2+][C@H]2CC[NH2+]C23CCCC3)CC[NH2+]1 ZINC000647553484 391000474 /nfs/dbraw/zinc/00/04/74/391000474.db2.gz BDBLNSRAZHCQHC-RDBSUJKOSA-N 3 0 251.418 1.639 10 0 CDAERP COCCN1CCC[C@H]1C[NH2+]Cc1ccncc1Cl ZINC000527652730 391087023 /nfs/dbraw/zinc/08/70/23/391087023.db2.gz JBUOUQYNELFMOJ-ZDUSSCGKSA-N 2 0 283.803 1.935 10 0 CDAERP [NH3+][C@H]1CCC[C@H](NC(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000418287551 391114793 /nfs/dbraw/zinc/11/47/93/391114793.db2.gz UEKDIGCIUZZMMP-STQMWFEESA-N 2 0 282.432 1.607 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000180205825 391216049 /nfs/dbraw/zinc/21/60/49/391216049.db2.gz TZDLFMPAVORRDL-DOTOQJQBSA-N 2 0 289.423 1.888 10 0 CDAERP CC1=CC[N@H+](CCNC(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000418008837 391286401 /nfs/dbraw/zinc/28/64/01/391286401.db2.gz DORWIQQELSUHQZ-HNNXBMFYSA-N 2 0 294.443 1.470 10 0 CDAERP [NH3+]CCCNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000418311603 391297938 /nfs/dbraw/zinc/29/79/38/391297938.db2.gz MPXDQAIXYAUCCY-UHFFFAOYSA-N 2 0 290.411 1.253 10 0 CDAERP CC1=CC[N@H+](CCNC(=O)N[C@@H](C[NH3+])CC(C)C)CC1 ZINC000418024893 391338402 /nfs/dbraw/zinc/33/84/02/391338402.db2.gz NGADVHAKKSRBCS-CQSZACIVSA-N 2 0 282.432 1.311 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000417015165 391339164 /nfs/dbraw/zinc/33/91/64/391339164.db2.gz FCMSDYBOHHKBCI-HIFRSBDPSA-N 2 0 294.443 1.397 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000418354509 391373092 /nfs/dbraw/zinc/37/30/92/391373092.db2.gz WLMNBBIYTNQXOY-KKUMJFAQSA-N 2 0 296.459 1.358 10 0 CDAERP CCC[C@@](C)([NH3+])C(=O)NC[C@H]([NH3+])c1ccccc1CC ZINC000417825405 391490837 /nfs/dbraw/zinc/49/08/37/391490837.db2.gz CIJNVFSCTWIVAO-GOEBONIOSA-N 2 0 277.412 1.883 10 0 CDAERP C[C@@H]1CCN(C(=O)[C@H](C[NH3+])c2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000417836976 391502585 /nfs/dbraw/zinc/50/25/85/391502585.db2.gz MAQGFXJAHUXVPW-UXIGCNINSA-N 2 0 293.386 1.311 10 0 CDAERP CCCC[C@@H](C[NH3+])NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000418446648 391512325 /nfs/dbraw/zinc/51/23/25/391512325.db2.gz OMHONSMKYXSWBO-AAEUAGOBSA-N 2 0 268.405 1.040 10 0 CDAERP C[C@@H]1[C@@H](C)CCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000357737400 391527159 /nfs/dbraw/zinc/52/71/59/391527159.db2.gz WFNWLUFFEOZXAI-UONOGXRCSA-N 2 0 293.455 1.850 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000358258182 391545497 /nfs/dbraw/zinc/54/54/97/391545497.db2.gz FSRFYERKQAJSRR-AWEZNQCLSA-N 2 0 296.459 1.502 10 0 CDAERP CCC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353528999 391629921 /nfs/dbraw/zinc/62/99/21/391629921.db2.gz OWUHRBMXMFYKIY-YJNKXOJESA-N 2 0 254.418 2.000 10 0 CDAERP C[C@]([NH3+])(C(=O)N1CCC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC000335894690 391611890 /nfs/dbraw/zinc/61/18/90/391611890.db2.gz WKZFIGMHOZCLGV-MRXNPFEDSA-N 2 0 287.407 1.463 10 0 CDAERP O=C1C[C@H]([C@H]2CCCC[N@@H+]2CCCC2CC[NH2+]CC2)CN1 ZINC000647991186 391680457 /nfs/dbraw/zinc/68/04/57/391680457.db2.gz HSAXYAWCEXYZRY-JKSUJKDBSA-N 2 0 293.455 1.757 10 0 CDAERP C[N@H+](CCNC(=O)N1CC[NH+]2CCC[C@H]2C1)C1CCCC1 ZINC000247512318 391901868 /nfs/dbraw/zinc/90/18/68/391901868.db2.gz PZHQXLGGEULPHE-HNNXBMFYSA-N 2 0 294.443 1.350 10 0 CDAERP CC(C)[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000438492616 391931994 /nfs/dbraw/zinc/93/19/94/391931994.db2.gz MXYNQVKYWWLDOX-HNNXBMFYSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@@H]1CC[N@H+](CCNC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000649341727 392071160 /nfs/dbraw/zinc/07/11/60/392071160.db2.gz SYLOFSLHPPBMFZ-DOMZBBRYSA-N 2 0 293.386 1.326 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N1C[C@H](C[NH+](C)C)Oc2ccccc21 ZINC000649347411 392079587 /nfs/dbraw/zinc/07/95/87/392079587.db2.gz WDIRKJHTMJSHHN-STQMWFEESA-N 2 0 291.395 1.470 10 0 CDAERP C[C@@H](O)CC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000336805233 392085620 /nfs/dbraw/zinc/08/56/20/392085620.db2.gz VYIGQAJTOHLWLJ-CQSZACIVSA-N 2 0 270.417 1.192 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC3(C2)CC[NH+](C)CC3)CC[N@@H+]1C ZINC000646248677 392205076 /nfs/dbraw/zinc/20/50/76/392205076.db2.gz HPCBMCDFDFSZCN-GJZGRUSLSA-N 2 0 293.455 1.661 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000423071416 392316429 /nfs/dbraw/zinc/31/64/29/392316429.db2.gz HUAGUGFSSMMVSV-ZOWXZIJZSA-N 2 0 293.386 1.642 10 0 CDAERP [NH3+]C[C@H]1CC[C@H](CNC(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000529336998 392340148 /nfs/dbraw/zinc/34/01/48/392340148.db2.gz HOCAFZALEVECRV-IHRRRGAJSA-N 2 0 294.443 1.335 10 0 CDAERP Cc1cc(N2CCC[C@H]([NH2+][C@H]3CCC[C@@H]([NH3+])C3)C2)n(C)n1 ZINC000568107165 392366810 /nfs/dbraw/zinc/36/68/10/392366810.db2.gz DVYHRACQBOVCIN-ILXRZTDVSA-N 2 0 291.443 1.557 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000568185209 392394171 /nfs/dbraw/zinc/39/41/71/392394171.db2.gz XXACGRITTRAWJB-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP [NH3+]CC12CCC(CC1)CN2CCC1CC[NH2+]CC1 ZINC000568245542 392431912 /nfs/dbraw/zinc/43/19/12/392431912.db2.gz QFLDWUJLRAEXOP-UHFFFAOYSA-N 2 0 251.418 1.579 10 0 CDAERP C[C@@H]([NH3+])C[C@H](C)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000423228828 392459494 /nfs/dbraw/zinc/45/94/94/392459494.db2.gz FJCHTNQZLRXIEP-NEPJUHHUSA-N 2 0 263.389 1.029 10 0 CDAERP C[C@@H](Nc1ccc(N2CC[NH2+]CC2)cn1)c1c[nH+]ccc1N ZINC000423234459 392460844 /nfs/dbraw/zinc/46/08/44/392460844.db2.gz PKGNSLWDAXNGAM-GFCCVEGCSA-N 2 0 298.394 1.472 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000645889322 392472698 /nfs/dbraw/zinc/47/26/98/392472698.db2.gz CUVWJPMHBRTKOR-KBPBESRZSA-N 2 0 285.351 1.594 10 0 CDAERP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCC[NH3+] ZINC000437804212 392494412 /nfs/dbraw/zinc/49/44/12/392494412.db2.gz VFGGKASKMHFLFO-GFCCVEGCSA-N 2 0 263.385 1.905 10 0 CDAERP COc1nccnc1C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000449206350 392710112 /nfs/dbraw/zinc/71/01/12/392710112.db2.gz OWGAVWFOSWWVAZ-UHFFFAOYSA-N 2 0 278.400 1.695 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)C[C@H]2CC[NH2+]C2)cc1 ZINC000646805876 392837106 /nfs/dbraw/zinc/83/71/06/392837106.db2.gz IOTJLUMVABRMQO-DGCLKSJQSA-N 2 0 261.369 1.322 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N[C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000517029002 392818173 /nfs/dbraw/zinc/81/81/73/392818173.db2.gz UUDLBIDNZCATKI-CHWSQXEVSA-N 2 0 284.448 1.533 10 0 CDAERP C[C@H](CC[NH2+][C@@H]1CCC(=O)NC1(C)C)[NH+]1CCCCC1 ZINC000494973772 393144220 /nfs/dbraw/zinc/14/42/20/393144220.db2.gz KVJDLGRPEGNBKM-ZIAGYGMSSA-N 2 0 281.444 1.898 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCC[NH+]2C)C1 ZINC000522406278 393214750 /nfs/dbraw/zinc/21/47/50/393214750.db2.gz CXYRBHDUDBCEOG-KBPBESRZSA-N 2 0 282.432 1.110 10 0 CDAERP Cc1cccc(OC[C@H](O)C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000656152618 413060310 /nfs/dbraw/zinc/06/03/10/413060310.db2.gz ATXJLPFTDKHSFW-OWCLPIDISA-N 2 0 292.423 1.665 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCNC(C)(C)C[NH+]1CCCC1 ZINC000452100409 393459230 /nfs/dbraw/zinc/45/92/30/393459230.db2.gz ZVHJNKAGCWFSAY-AWEZNQCLSA-N 2 0 253.434 1.935 10 0 CDAERP CC[C@@H]([NH2+]C)C(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000662491884 413063426 /nfs/dbraw/zinc/06/34/26/413063426.db2.gz AEAZNFNTOULPNN-LLVKDONJSA-N 2 0 250.346 1.114 10 0 CDAERP C[C@H](C[NH2+][C@H](C)C(C)(C)C(F)F)N1CC[NH+](C)CC1 ZINC000657873017 413066033 /nfs/dbraw/zinc/06/60/33/413066033.db2.gz QTNXYUJNCTUVGA-VXGBXAGGSA-N 2 0 277.403 1.892 10 0 CDAERP CCC[NH+]1CCC(NC(=O)N(C)CC2C[NH+](C)C2)CC1 ZINC000660254384 413072131 /nfs/dbraw/zinc/07/21/31/413072131.db2.gz NAZFITZGFUNJIT-UHFFFAOYSA-N 2 0 282.432 1.064 10 0 CDAERP C[NH+](C)C1CCN(C(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000185342698 140037632 /nfs/dbraw/zinc/03/76/32/140037632.db2.gz REBNUJUSDWYNKC-UHFFFAOYSA-N 2 0 281.444 1.838 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000187797608 140082893 /nfs/dbraw/zinc/08/28/93/140082893.db2.gz OJZYSRRNERZZBV-CABCVRRESA-N 2 0 298.475 1.556 10 0 CDAERP Cc1nn(C)c(C)c1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000192635775 140142110 /nfs/dbraw/zinc/14/21/10/140142110.db2.gz IMCJPDQZRPHEKJ-GOOCMWNKSA-N 2 0 276.428 1.794 10 0 CDAERP Cc1noc([C@@H]2CCCN(C[C@@]3(C)CC[NH2+]C3)C2)n1 ZINC000261689493 140375769 /nfs/dbraw/zinc/37/57/69/140375769.db2.gz AZWYRRUFGBSBFQ-OCCSQVGLSA-N 2 0 264.373 1.557 10 0 CDAERP COCC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000656201688 413102659 /nfs/dbraw/zinc/10/26/59/413102659.db2.gz XJZFNKNXOJMHKR-MELADBBJSA-N 2 0 252.402 1.923 10 0 CDAERP C[NH+](C)CCN(CC[NH+](C)C)Cc1cc2n(n1)CCCC2 ZINC000656261177 413143201 /nfs/dbraw/zinc/14/32/01/413143201.db2.gz DMCDSHULLGHASM-UHFFFAOYSA-N 2 0 293.459 1.145 10 0 CDAERP Cc1c[nH+]ccc1NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000664235294 413163654 /nfs/dbraw/zinc/16/36/54/413163654.db2.gz DUXKKINMUNVTKB-KRWDZBQOSA-N 2 0 297.402 1.991 10 0 CDAERP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662595219 413165386 /nfs/dbraw/zinc/16/53/86/413165386.db2.gz YOBYGNMIMTXRKS-RWMBFGLXSA-N 2 0 269.433 1.596 10 0 CDAERP Cn1cncc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000388356921 397797105 /nfs/dbraw/zinc/79/71/05/397797105.db2.gz AVIYQGPLLLFBBE-RRFJBIMHSA-N 2 0 262.401 1.821 10 0 CDAERP CC(C)[C@H](C(=O)N1CCC([NH+](C)C)CC1)[C@H](C)[NH3+] ZINC000399369090 398030998 /nfs/dbraw/zinc/03/09/98/398030998.db2.gz JXIQAPPAECBDCP-AAEUAGOBSA-N 2 0 255.406 1.158 10 0 CDAERP [NH3+][C@H]1CC[C@@H](C(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000091543187 146983868 /nfs/dbraw/zinc/98/38/68/146983868.db2.gz AIGSPMGZNODVLJ-CABCVRRESA-N 2 0 279.428 1.448 10 0 CDAERP Cc1cc(C)n(CCC[NH2+]C2CCC([NH3+])CC2)n1 ZINC000126403909 147510134 /nfs/dbraw/zinc/51/01/34/147510134.db2.gz YOZRFWULKIIUNX-UHFFFAOYSA-N 2 0 250.390 1.750 10 0 CDAERP Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000658110297 413211874 /nfs/dbraw/zinc/21/18/74/413211874.db2.gz XCQAGWMGQXSTFS-UONOGXRCSA-N 2 0 295.475 1.651 10 0 CDAERP [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000178747109 148084606 /nfs/dbraw/zinc/08/46/06/148084606.db2.gz ROPPBGKRVOTTIH-INIZCTEOSA-N 2 0 287.407 1.253 10 0 CDAERP C[C@]1(CN2CCC[C@@H]2C[NH+]2CCCCC2)CC[NH2+]C1 ZINC000262104750 149018489 /nfs/dbraw/zinc/01/84/89/149018489.db2.gz VVKQUXNURTXAOZ-CVEARBPZSA-N 2 0 265.445 1.936 10 0 CDAERP O=C(N[C@H]1C[NH2+]CCC1(F)F)c1ccc2c[nH+]cn2c1 ZINC000335030096 150205984 /nfs/dbraw/zinc/20/59/84/150205984.db2.gz AITXEWWZRNQWNX-NSHDSACASA-N 2 0 280.278 1.061 10 0 CDAERP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(C[NH3+])cc2)C1 ZINC000335049939 150230445 /nfs/dbraw/zinc/23/04/45/150230445.db2.gz ZVQKHIBXEOTENX-HZPDHXFCSA-N 2 0 287.407 1.702 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CC[NH+]2CCC1CC2 ZINC000335053167 150233825 /nfs/dbraw/zinc/23/38/25/150233825.db2.gz POXKEVDLOXQFQC-CYBMUJFWSA-N 2 0 265.401 1.071 10 0 CDAERP CC[NH+](CC)CCn1cc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000656439070 413268162 /nfs/dbraw/zinc/26/81/62/413268162.db2.gz KIDBQSADVPVSGZ-ZDUSSCGKSA-N 2 0 265.405 1.162 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[NH+](C2CC2)CC1 ZINC000346199021 153094470 /nfs/dbraw/zinc/09/44/70/153094470.db2.gz GKQMRXWEIQOILR-UHFFFAOYSA-N 2 0 297.406 1.856 10 0 CDAERP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CC2C[NH2+]C2)cc1 ZINC000423315975 286378965 /nfs/dbraw/zinc/37/89/65/286378965.db2.gz JMCIMNSKUTVFRF-HFBAOOFYSA-N 2 0 260.381 1.996 10 0 CDAERP [NH3+]C1(C(=O)NCCC[NH+]2CCCC2)CC2(CCC2)C1 ZINC000662672327 413288774 /nfs/dbraw/zinc/28/87/74/413288774.db2.gz SGAYFVZCSLAYSW-UHFFFAOYSA-N 2 0 265.401 1.250 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1nccn1C ZINC000349065489 154043707 /nfs/dbraw/zinc/04/37/07/154043707.db2.gz ZYVIPDUMPPEWIR-HNNXBMFYSA-N 2 0 293.459 1.268 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCCC[C@@H]1C ZINC000349116470 154055520 /nfs/dbraw/zinc/05/55/20/154055520.db2.gz GXVZMJPCWFMUCZ-GJZGRUSLSA-N 2 0 281.444 1.851 10 0 CDAERP C[NH+](C)CC1CCN(C(=O)c2cc(C(C)(C)[NH3+])no2)CC1 ZINC000662684668 413311240 /nfs/dbraw/zinc/31/12/40/413311240.db2.gz ZGQPJKSBEPZPRL-UHFFFAOYSA-N 2 0 294.399 1.282 10 0 CDAERP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C1([NH2+]C2CC2)CCC1 ZINC000662686079 413311546 /nfs/dbraw/zinc/31/15/46/413311546.db2.gz AHXHQLXYVORCMV-KGLIPLIRSA-N 2 0 277.412 1.404 10 0 CDAERP CC(C)[C@@H](C(=O)NCCCC[NH+](C)C)[NH+]1CCCCC1 ZINC000353808832 156098309 /nfs/dbraw/zinc/09/83/09/156098309.db2.gz ALXONMSZJQXTOS-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP [NH3+][C@@H](c1cn([C@@H]2CCC[NH2+]C2)nn1)c1ccc(F)cc1 ZINC000656467765 413324822 /nfs/dbraw/zinc/32/48/22/413324822.db2.gz RUPUYBQPHHSBDJ-TZMCWYRMSA-N 2 0 275.331 1.390 10 0 CDAERP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000662694986 413328818 /nfs/dbraw/zinc/32/88/18/413328818.db2.gz VJBUWLSELAMFBO-UONOGXRCSA-N 2 0 267.417 1.223 10 0 CDAERP C[NH+]1CCC(CCNC(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000662699048 413337236 /nfs/dbraw/zinc/33/72/36/413337236.db2.gz WSDFEXRTVMHSBY-UHFFFAOYSA-N 2 0 279.428 1.509 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)NCC[NH+]1CCCCC1 ZINC000656537430 413385268 /nfs/dbraw/zinc/38/52/68/413385268.db2.gz HSCBUSVAUBWSTM-AWEZNQCLSA-N 2 0 296.459 1.644 10 0 CDAERP C[C@H](NC(=O)c1cc(C(C)(C)[NH3+])no1)C(C)(C)C[NH+](C)C ZINC000662746917 413423276 /nfs/dbraw/zinc/42/32/76/413423276.db2.gz YUVRJHAUCORWNC-JTQLQIEISA-N 2 0 296.415 1.575 10 0 CDAERP CCOCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001665704087 1173043393 /nfs/dbraw/zinc/04/33/93/1173043393.db2.gz XTOHZLIXEIFIMZ-GJZGRUSLSA-N 2 0 297.443 1.040 10 0 CDAERP CC[NH+]1CCN([C@H](C)C(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000022216265 171375985 /nfs/dbraw/zinc/37/59/85/171375985.db2.gz NRTGZKPOOZZCKR-CYBMUJFWSA-N 2 0 290.411 1.110 10 0 CDAERP CCC[NH+]1CCN(C[C@@H]([NH3+])c2ccc3c(c2)OCO3)CC1 ZINC000022563811 171391327 /nfs/dbraw/zinc/39/13/27/171391327.db2.gz DIXQGUMWIVHJOX-CQSZACIVSA-N 2 0 291.395 1.443 10 0 CDAERP CCOc1ccccc1[C@H]([NH3+])CN1CC[NH+](C)CC1 ZINC000022564805 171391975 /nfs/dbraw/zinc/39/19/75/171391975.db2.gz QLXQTYSSJGATCL-CQSZACIVSA-N 2 0 263.385 1.333 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)c1ccccc1CC[NH3+] ZINC000653214950 412143081 /nfs/dbraw/zinc/14/30/81/412143081.db2.gz IZHDHJMBACGNAX-UHFFFAOYSA-N 2 0 297.402 1.837 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)NCCC1(C[NH3+])CC1 ZINC000653222416 412151124 /nfs/dbraw/zinc/15/11/24/412151124.db2.gz ARNKLYRMYAJVBE-LLVKDONJSA-N 2 0 253.390 1.010 10 0 CDAERP CCO[C@@H]1CN(c2cc[nH+]c(C)c2Cl)C[C@H]1C[NH3+] ZINC000405310796 413554837 /nfs/dbraw/zinc/55/48/37/413554837.db2.gz TVJMEOLSJMXROG-ZYHUDNBSSA-N 2 0 269.776 1.843 10 0 CDAERP CC[C@@H]([NH2+]C)C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000662821268 413547370 /nfs/dbraw/zinc/54/73/70/413547370.db2.gz DLTVTRXCSWRRCP-ZIAGYGMSSA-N 2 0 261.369 1.069 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC[NH2+]1 ZINC000662837967 413580392 /nfs/dbraw/zinc/58/03/92/413580392.db2.gz LLFMETVMOFBECB-XQLPTFJDSA-N 2 0 279.428 1.508 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)CC[N@@H+]1C ZINC000660859239 413589917 /nfs/dbraw/zinc/58/99/17/413589917.db2.gz XVOVSEUCEDIJRL-RDBSUJKOSA-N 2 0 296.459 1.641 10 0 CDAERP C[C@H](NC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1nccn1C ZINC000660867503 413598992 /nfs/dbraw/zinc/59/89/92/413598992.db2.gz ALKDLCQOUROTSG-SRVKXCTJSA-N 2 0 291.399 1.406 10 0 CDAERP c1cc([C@H]2C[NH2+]CCO2)ccc1NC1CC[NH2+]CC1 ZINC000656793272 413673468 /nfs/dbraw/zinc/67/34/68/413673468.db2.gz SRTGXOCPTITSOZ-OAHLLOKOSA-N 2 0 261.369 1.511 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)CC1(C[NH3+])CC1 ZINC000664718427 413612107 /nfs/dbraw/zinc/61/21/07/413612107.db2.gz DWLNHIJALZFYLB-UHFFFAOYSA-N 2 0 255.406 1.352 10 0 CDAERP C[C@@H](CCNC(=O)[C@H]1[NH2+]CCCC1(C)C)[NH+](C)C ZINC000662858839 413618735 /nfs/dbraw/zinc/61/87/35/413618735.db2.gz INQLAZLFYBRFCD-NWDGAFQWSA-N 2 0 255.406 1.221 10 0 CDAERP CCC[N@@H+]1CC[C@@H](NC(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662909543 413693471 /nfs/dbraw/zinc/69/34/71/413693471.db2.gz FWQBIMNPJVVLAB-CYBMUJFWSA-N 2 0 265.401 1.262 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000661198146 413878617 /nfs/dbraw/zinc/87/86/17/413878617.db2.gz DKGHPROGQLHXIY-UONOGXRCSA-N 2 0 298.475 1.887 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000655020790 413924501 /nfs/dbraw/zinc/92/45/01/413924501.db2.gz NHWZZBNXOXCSBT-ZDUSSCGKSA-N 2 0 255.406 1.128 10 0 CDAERP Cc1cc(C)c(CNC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cn1 ZINC000659501568 413894803 /nfs/dbraw/zinc/89/48/03/413894803.db2.gz SDHGQCYCJCABMG-CHWSQXEVSA-N 2 0 280.347 1.279 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000665272882 414004691 /nfs/dbraw/zinc/00/46/91/414004691.db2.gz MXLBOKDZZDNDCZ-OWCLPIDISA-N 2 0 294.443 1.475 10 0 CDAERP CC(C)[NH2+][C@@H]1CCCN(C(=O)NCC[C@@H]([NH3+])C(C)C)C1 ZINC000659621859 414032099 /nfs/dbraw/zinc/03/20/99/414032099.db2.gz BVTIUPFFBKLWNN-ZIAGYGMSSA-N 2 0 284.448 1.532 10 0 CDAERP CC(C)[NH+]1CCC(C[NH3+])(N(C)[C@H]2CCSC2)CC1 ZINC000037174598 173009817 /nfs/dbraw/zinc/00/98/17/173009817.db2.gz DTQSRMICDZKCDC-ZDUSSCGKSA-N 2 0 271.474 1.625 10 0 CDAERP CC[C@@H]1CC[C@@H](C[NH3+])[C@H]([N@H+](C)CC(=O)N(C)C)C1 ZINC000037270178 173082452 /nfs/dbraw/zinc/08/24/52/173082452.db2.gz KVCWYWGXKZYKIK-FRRDWIJNSA-N 2 0 255.406 1.160 10 0 CDAERP C[N@@H+]1CCC[C@H]1CC[NH+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000661490516 414127700 /nfs/dbraw/zinc/12/77/00/414127700.db2.gz NDBZSDFXQRGCOW-SOUVJXGZSA-N 2 0 252.402 1.829 10 0 CDAERP c1cc(C[NH2+]C[C@@H]2CCCO2)n(-c2cc[nH+]cc2)n1 ZINC000657289698 414120211 /nfs/dbraw/zinc/12/02/11/414120211.db2.gz HQAMEQOVAXKHKE-AWEZNQCLSA-N 2 0 258.325 1.536 10 0 CDAERP CC[C@@H]1C[C@@H]([NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)CO1 ZINC000657347287 414183857 /nfs/dbraw/zinc/18/38/57/414183857.db2.gz WQLUUIDDUMDBJA-RBSFLKMASA-N 2 0 269.433 1.027 10 0 CDAERP C[C@H]1C[C@@H](NCc2ccnn2-c2cc[nH+]cc2)CC[N@@H+]1C ZINC000657376148 414251541 /nfs/dbraw/zinc/25/15/41/414251541.db2.gz ORPLCWVUMHLYKA-KBPBESRZSA-N 2 0 285.395 1.840 10 0 CDAERP CC(C)[C@@H](CCO)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657376753 414256772 /nfs/dbraw/zinc/25/67/72/414256772.db2.gz OBDNFSUQJSBPRU-OAHLLOKOSA-N 2 0 274.368 1.764 10 0 CDAERP O[C@]1(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CCCOC1 ZINC000659944580 414285727 /nfs/dbraw/zinc/28/57/27/414285727.db2.gz MSQRWDHWKANGMV-CVEARBPZSA-N 2 0 282.428 1.478 10 0 CDAERP CO[C@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)[C@@H]1CCOC1 ZINC000659947690 414290717 /nfs/dbraw/zinc/29/07/17/414290717.db2.gz MMIPEUYOGYXQHX-ARFHVFGLSA-N 2 0 282.428 1.456 10 0 CDAERP C[C@H](CO)CCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657418643 414307049 /nfs/dbraw/zinc/30/70/49/414307049.db2.gz BZSIJJWNQPZTNU-ZDUSSCGKSA-N 2 0 274.368 1.766 10 0 CDAERP CCN(C(=O)NC[C@@H](C)[NH+](CC)CC)[C@@H]1CC[N@H+](CC)C1 ZINC000663623579 414378912 /nfs/dbraw/zinc/37/89/12/414378912.db2.gz KFTCGRUUWJEBEC-HUUCEWRRSA-N 2 0 298.475 1.842 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=O)N(CC)[C@@H]2CC[NH+](C)C2)C1 ZINC000663787848 414463397 /nfs/dbraw/zinc/46/33/97/414463397.db2.gz LXWVEZHILFSMKZ-HUUCEWRRSA-N 2 0 296.459 1.454 10 0 CDAERP C[N@@H+]1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)C2(CCCCC2)C1 ZINC000662262980 414599021 /nfs/dbraw/zinc/59/90/21/414599021.db2.gz JMADBGBYEKIGJF-OAHLLOKOSA-N 2 0 293.455 1.458 10 0 CDAERP COC[C@H](C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1)OC ZINC000662282954 414614715 /nfs/dbraw/zinc/61/47/15/414614715.db2.gz FLRYCRYAFDDAPI-BYNSBNAKSA-N 2 0 286.416 1.009 10 0 CDAERP COC(C)(C)CC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662321685 414640565 /nfs/dbraw/zinc/64/05/65/414640565.db2.gz CPLPOPRKMTZLBA-CQSZACIVSA-N 2 0 272.433 1.844 10 0 CDAERP CC[NH+](CC)CCOc1nnc(C)c(C)c1C[NH3+] ZINC000040290638 174221037 /nfs/dbraw/zinc/22/10/37/174221037.db2.gz QEXDWZNEFXQPNE-UHFFFAOYSA-N 2 0 252.362 1.273 10 0 CDAERP CCCCC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508476 174303327 /nfs/dbraw/zinc/30/33/27/174303327.db2.gz FMBKSLUBEJFQKL-ZDUSSCGKSA-N 2 0 253.390 1.073 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCC2(CC1)OCCO2 ZINC000040749025 174394108 /nfs/dbraw/zinc/39/41/08/174394108.db2.gz GUPPPFXXMIPWRW-QXMXGUDHSA-N 2 0 266.385 1.626 10 0 CDAERP C[NH+](C)CC1CCN([C@@H](CC[NH3+])C(F)(F)F)CC1 ZINC000042391536 174706842 /nfs/dbraw/zinc/70/68/42/174706842.db2.gz IBDONHHISSKRBU-NSHDSACASA-N 2 0 267.339 1.540 10 0 CDAERP Cc1cccc([C@H](C[NH3+])N2CCC[N@@H+](C)CC2)c1C ZINC000043314522 175004606 /nfs/dbraw/zinc/00/46/06/175004606.db2.gz SLAVXWYRIWGURC-INIZCTEOSA-N 2 0 261.413 1.941 10 0 CDAERP c1coc([C@@H](CN[C@@H]2CCC[NH2+]C2)[NH+]2CCCC2)c1 ZINC000043324571 175006947 /nfs/dbraw/zinc/00/69/47/175006947.db2.gz MLVVTZKKQUABAR-ZIAGYGMSSA-N 2 0 263.385 1.758 10 0 CDAERP CC[C@H]([NH3+])[C@@H](c1ccccn1)N(C)C1CC[NH+](C)CC1 ZINC000043338858 175013107 /nfs/dbraw/zinc/01/31/07/175013107.db2.gz CRFVIPVMFOTJDY-HOCLYGCPSA-N 2 0 276.428 1.886 10 0 CDAERP CC[C@H]([NH3+])[C@@H](c1cccnc1)N1CC[NH+](CC)CC1 ZINC000043345662 175016934 /nfs/dbraw/zinc/01/69/34/175016934.db2.gz XNIOHJKVKXDVIX-LSDHHAIUSA-N 2 0 262.401 1.498 10 0 CDAERP CC(C)CN(CC[NH+](C)C)[C@@H](c1ccncc1)[C@@H](C)[NH3+] ZINC000043354817 175022406 /nfs/dbraw/zinc/02/24/06/175022406.db2.gz JOKJXKQMQJTCKL-GDBMZVCRSA-N 2 0 278.444 1.990 10 0 CDAERP CC[C@H](C)NC(=O)[C@@H](C)[N@H+](CCC[NH3+])CC(C)C ZINC000043417336 175038544 /nfs/dbraw/zinc/03/85/44/175038544.db2.gz ISIKKEIYDJJXFP-QWHCGFSZSA-N 2 0 257.422 1.596 10 0 CDAERP CC[NH2+]CCCNC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000043559857 175065864 /nfs/dbraw/zinc/06/58/64/175065864.db2.gz SOIKGGJYMBJOOQ-XQQFMLRXSA-N 2 0 255.406 1.364 10 0 CDAERP CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N1CC[NH+](C)CC1 ZINC000043810938 175110353 /nfs/dbraw/zinc/11/03/53/175110353.db2.gz GAJFQLFMRYRCGH-KFWWJZLASA-N 2 0 253.434 1.791 10 0 CDAERP CC[NH2+][C@@H]1c2ccccc2OC[C@H]1N1CCC[N@H+](C)CC1 ZINC000043818449 175113279 /nfs/dbraw/zinc/11/32/79/175113279.db2.gz SYBBMYVTAWNQEI-NVXWUHKLSA-N 2 0 289.423 1.736 10 0 CDAERP C[NH2+][C@H]1c2ccccc2C[C@@H]1N1CCC([NH+](C)C)CC1 ZINC000043897293 175119831 /nfs/dbraw/zinc/11/98/31/175119831.db2.gz JXJOPTVRCYIMAL-IRXDYDNUSA-N 2 0 273.424 1.898 10 0 CDAERP C[NH2+][C@H](CN1CC[NH+](C(C)C)CC1)c1ccc(OC)cc1 ZINC000043896932 175120165 /nfs/dbraw/zinc/12/01/65/175120165.db2.gz SGYBKYKFKDGQEE-QGZVFWFLSA-N 2 0 291.439 1.982 10 0 CDAERP CC[NH2+][C@@H]1CCCC[C@H]1N1CC[NH+](C2CC2)CC1 ZINC000043967727 175128782 /nfs/dbraw/zinc/12/87/82/175128782.db2.gz WTMGTIBMSOJHCR-HUUCEWRRSA-N 2 0 251.418 1.687 10 0 CDAERP CCN(CC)C(=O)[C@@H](C)[NH2+]CC1CC[NH+](CC)CC1 ZINC000044518682 175191192 /nfs/dbraw/zinc/19/11/92/175191192.db2.gz ITXOBODGUQUCLF-CYBMUJFWSA-N 2 0 269.433 1.565 10 0 CDAERP CCC(CC)(C[NH3+])C(=O)N[C@H](C[NH+](C)C)C(C)C ZINC000044763708 175247846 /nfs/dbraw/zinc/24/78/46/175247846.db2.gz KYZBKGLKRDCFLL-GFCCVEGCSA-N 2 0 257.422 1.454 10 0 CDAERP CCC[C@H](C[NH3+])C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000044806467 175256694 /nfs/dbraw/zinc/25/66/94/175256694.db2.gz YFTYAHIYXLRWPM-CHWSQXEVSA-N 2 0 257.422 1.454 10 0 CDAERP CCCC(C[NH3+])(CCC)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044808491 175256897 /nfs/dbraw/zinc/25/68/97/175256897.db2.gz GGTABTLMVFZBNB-ZDUSSCGKSA-N 2 0 281.444 1.885 10 0 CDAERP COCC[C@](C)(C[NH3+])N(Cc1ccco1)C1CC1 ZINC000045043648 175295791 /nfs/dbraw/zinc/29/57/91/175295791.db2.gz YWQJQJWRRFWWND-CQSZACIVSA-N 2 0 252.358 1.998 10 0 CDAERP C[NH2+][C@@H](C)c1ccc(S(=O)(=O)NC[C@@H](C)[NH+](C)C)cc1 ZINC000045110243 175309791 /nfs/dbraw/zinc/30/97/91/175309791.db2.gz SRTAUYKZAZWIIJ-NEPJUHHUSA-N 2 0 299.440 1.195 10 0 CDAERP CCC[C@@H](C[NH3+])C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000045135567 175313599 /nfs/dbraw/zinc/31/35/99/175313599.db2.gz FDIRJWCVIZDKRV-STQMWFEESA-N 2 0 255.406 1.208 10 0 CDAERP Cc1nn(C)c(C)c1[C@@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC000045173293 175322334 /nfs/dbraw/zinc/32/23/34/175322334.db2.gz BJDFTVDRPCCFRF-GFCCVEGCSA-N 2 0 250.390 1.769 10 0 CDAERP CC(C)[NH2+][C@](C)(CCCC[N@H+](C)C(C)C)C(N)=O ZINC000045378007 175367835 /nfs/dbraw/zinc/36/78/35/175367835.db2.gz ZBQRDJMKHNOCFP-CQSZACIVSA-N 2 0 257.422 1.739 10 0 CDAERP CCOC(=O)[C@@](C)([NH3+])CCCC[N@H+](C)C1CCN(C)CC1 ZINC000045379287 175368327 /nfs/dbraw/zinc/36/83/27/175368327.db2.gz WZMFKLDVNJOYQV-INIZCTEOSA-N 2 0 299.459 1.463 10 0 CDAERP C[NH2+][C@@](C)(CCCC[NH+]1[C@@H](C)CCC[C@@H]1C)C(N)=O ZINC000045379602 175368657 /nfs/dbraw/zinc/36/86/57/175368657.db2.gz SICBIEWQNHMQAP-YDHLFZDLSA-N 2 0 269.433 1.883 10 0 CDAERP CCC(CC)[N@H+](C)CCC[C@](C)([NH2+]C1CC1)C(N)=O ZINC000045391681 175374893 /nfs/dbraw/zinc/37/48/93/175374893.db2.gz ZZTAPSNQHQVHQA-HNNXBMFYSA-N 2 0 269.433 1.883 10 0 CDAERP CC[C@H]1C[C@@](C[NH3+])(N(C)CC[NH+]2CCCC2)CCO1 ZINC000070366367 175895591 /nfs/dbraw/zinc/89/55/91/175895591.db2.gz LSKKPBZUROJWAJ-GJZGRUSLSA-N 2 0 269.433 1.301 10 0 CDAERP CC(C)[NH2+][C@H]1CCN([C@@H](C)C[NH+]2CCCC2)C1=O ZINC000071033547 176023867 /nfs/dbraw/zinc/02/38/67/176023867.db2.gz XTWATGUCDMLIRD-STQMWFEESA-N 2 0 253.390 1.070 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)N1CCC[C@@H]([NH2+]C2CC2)C1=O ZINC000071034304 176024034 /nfs/dbraw/zinc/02/40/34/176024034.db2.gz QLJCKOFOTWWCBK-KGLIPLIRSA-N 2 0 267.417 1.316 10 0 CDAERP CCC[NH2+][C@@H]1CCN([C@H](C)C[NH+]2CCCC2)C1=O ZINC000071033581 176024461 /nfs/dbraw/zinc/02/44/61/176024461.db2.gz FMWSDTRHTCQAGT-CHWSQXEVSA-N 2 0 253.390 1.071 10 0 CDAERP C[NH2+][C@H]1CCCN(C[C@@H](C)[NH+]2CCCCC2)C1=O ZINC000071036372 176025456 /nfs/dbraw/zinc/02/54/56/176025456.db2.gz RWMOIBMWSBUVKC-OLZOCXBDSA-N 2 0 253.390 1.071 10 0 CDAERP C[N@H+](CCN1CC[C@@H]([NH2+]C2CC2)C1=O)C1CCCC1 ZINC000071043696 176029835 /nfs/dbraw/zinc/02/98/35/176029835.db2.gz PMDYMBSGYAARCV-CQSZACIVSA-N 2 0 265.401 1.214 10 0 CDAERP CC[C@H]1CCC[C@@H]([NH2+]CCN2CC[NH+](C)CC2)C1 ZINC000071117891 176034362 /nfs/dbraw/zinc/03/43/62/176034362.db2.gz KOQSADLYTBECCM-LSDHHAIUSA-N 2 0 253.434 1.792 10 0 CDAERP CC[C@H]1CCCC[C@]1(C[NH3+])N1CCC[N@H+](C)CC1 ZINC000071161557 176046223 /nfs/dbraw/zinc/04/62/23/176046223.db2.gz BOBOSKNAEBNLAU-LSDHHAIUSA-N 2 0 253.434 1.922 10 0 CDAERP COc1ccc(C[N@H+](C)C[C@H]2CC[NH+](C)C2)cc1N ZINC000071187762 176061466 /nfs/dbraw/zinc/06/14/66/176061466.db2.gz KOOPIZYLAFBJQF-ZDUSSCGKSA-N 2 0 263.385 1.661 10 0 CDAERP C[NH2+][C@@H]1CCCCC[C@H]1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188996 176065080 /nfs/dbraw/zinc/06/50/80/176065080.db2.gz YVEPUGMKMHUFJV-RBSFLKMASA-N 2 0 253.434 1.791 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@H](C[N@H+](C)C[C@@H]2CC[NH+](C)C2)O1 ZINC000071192047 176073586 /nfs/dbraw/zinc/07/35/86/176073586.db2.gz BMCLZPUZAYUWSV-RBSFLKMASA-N 3 0 269.433 1.027 10 0 CDAERP CC[NH2+][C@@H]1CCCN(C[C@@H](C)[NH+]2CCCCC2)C1 ZINC000071201172 176077796 /nfs/dbraw/zinc/07/77/96/176077796.db2.gz CDBZEMNYMUPQSB-HUUCEWRRSA-N 2 0 253.434 1.935 10 0 CDAERP C[C@H]1C[N@H+](Cc2ccc(F)cc2C[NH3+])CCCO1 ZINC000071263652 176096662 /nfs/dbraw/zinc/09/66/62/176096662.db2.gz MZJYGHISTIMLOK-NSHDSACASA-N 2 0 252.333 1.895 10 0 CDAERP C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(F)cc1C[NH3+] ZINC000071263443 176097062 /nfs/dbraw/zinc/09/70/62/176097062.db2.gz TYHRHUCNSIHCCH-PWSUYJOCSA-N 2 0 279.359 1.370 10 0 CDAERP Cc1ccccc1[C@@H](C[NH3+])N1CC[NH+](CC(C)(C)O)CC1 ZINC000071380111 176144590 /nfs/dbraw/zinc/14/45/90/176144590.db2.gz CZBAXIGTRONJPK-MRXNPFEDSA-N 2 0 291.439 1.383 10 0 CDAERP C[C@H]1CC[C@H](C(=O)NCC[N@H+](C)C2CCCC2)C[C@@H]1[NH3+] ZINC000071380106 176144623 /nfs/dbraw/zinc/14/46/23/176144623.db2.gz YYGGDPXNRSITDP-YDHLFZDLSA-N 2 0 281.444 1.741 10 0 CDAERP C[NH2+][C@H]1CCCC[C@H]1CN1CC[NH+](CC(C)(C)O)CC1 ZINC000071381734 176145806 /nfs/dbraw/zinc/14/58/06/176145806.db2.gz UUBAEOOZMBFSRO-GJZGRUSLSA-N 2 0 283.460 1.153 10 0 CDAERP C[C@@H](C(=O)N[C@@H]1CCC[NH2+]C1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000071396946 176150306 /nfs/dbraw/zinc/15/03/06/176150306.db2.gz NXHYIYBEHNVAFO-ZDEQEGDKSA-N 2 0 253.390 1.116 10 0 CDAERP O[C@]1(C[NH2+]CCCc2nc3ccccc3s2)CC[NH2+]C1 ZINC000077323534 177253456 /nfs/dbraw/zinc/25/34/56/177253456.db2.gz QKMCKBSSGZPMBD-HNNXBMFYSA-N 2 0 291.420 1.543 10 0 CDAERP CC(C)(C)[NH2+]CC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000078597044 177357864 /nfs/dbraw/zinc/35/78/64/177357864.db2.gz UNSHADCYMKWZRX-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000417993892 227423088 /nfs/dbraw/zinc/42/30/88/227423088.db2.gz BKUWRCDZEOPPSH-AVGNSLFASA-N 2 0 270.421 1.286 10 0 CDAERP c1ccc(COCCOCCC[NH2+]C2CC[NH2+]CC2)cc1 ZINC000390681733 262239975 /nfs/dbraw/zinc/23/99/75/262239975.db2.gz XQAVJRBEMXWVIW-UHFFFAOYSA-N 2 0 292.423 1.952 10 0 CDAERP COc1cc(C[NH2+]C[C@@H](C)C[NH3+])cc2c1OCCO2 ZINC000414875613 263089907 /nfs/dbraw/zinc/08/99/07/263089907.db2.gz KCODIFYNASTSCV-JTQLQIEISA-N 2 0 266.341 1.151 10 0 CDAERP COC[C@H]([NH2+]CCCn1ccnc1)C1CCOCC1 ZINC000187676865 263265889 /nfs/dbraw/zinc/26/58/89/263265889.db2.gz ZYPKEDPGLSXDIR-AWEZNQCLSA-N 2 0 267.373 1.304 10 0 CDAERP CO[C@H](C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)C1CCCC1 ZINC000662274671 423837446 /nfs/dbraw/zinc/83/74/46/423837446.db2.gz ZOGSBZROZLBKST-JKSUJKDBSA-N 2 0 281.444 1.171 10 0 CDAERP CCn1ccnc1[C@H]1CCCCN1C[C@@H]1C[NH2+]CCO1 ZINC000662276917 423847147 /nfs/dbraw/zinc/84/71/47/423847147.db2.gz ACJRPYBZCRCQDU-UONOGXRCSA-N 2 0 278.400 1.418 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000659536927 423981514 /nfs/dbraw/zinc/98/15/14/423981514.db2.gz PPLYQMDDJTUMJF-JHJVBQTASA-N 2 0 282.432 1.156 10 0 CDAERP CC[C@H](C[NH+]1CCCC1)NC(=O)NCCC1(C[NH3+])CC1 ZINC000652167012 423985660 /nfs/dbraw/zinc/98/56/60/423985660.db2.gz HNLOJNFTHZIPSW-CYBMUJFWSA-N 2 0 282.432 1.289 10 0 CDAERP CC[NH2+]CCNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662410044 424059733 /nfs/dbraw/zinc/05/97/33/424059733.db2.gz URINJILXFSYIOU-AWEZNQCLSA-N 2 0 275.396 1.405 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000652225087 424082281 /nfs/dbraw/zinc/08/22/81/424082281.db2.gz PPCMVIBUHCSMDL-RYUDHWBXSA-N 2 0 278.400 1.331 10 0 CDAERP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCCC1(C[NH3+])CC1 ZINC000652234307 424105502 /nfs/dbraw/zinc/10/55/02/424105502.db2.gz ZMFAHMDJKVYLCJ-UONOGXRCSA-N 2 0 294.443 1.384 10 0 CDAERP C[N@@H+]1CCC[C@]2(CCN(C(=O)NCCC3(C[NH3+])CC3)C2)C1 ZINC000652233126 424106682 /nfs/dbraw/zinc/10/66/82/424106682.db2.gz NJDRAFRLPOEICW-INIZCTEOSA-N 2 0 294.443 1.243 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)NCCC1(C[NH3+])CC1 ZINC000652236585 424116039 /nfs/dbraw/zinc/11/60/39/424116039.db2.gz RRZGRSFQRPBVFQ-UHFFFAOYSA-N 2 0 270.421 1.099 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000652291941 424197380 /nfs/dbraw/zinc/19/73/80/424197380.db2.gz OKLJVSRXRUSNTC-INIZCTEOSA-N 2 0 290.411 1.286 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000652291942 424197521 /nfs/dbraw/zinc/19/75/21/424197521.db2.gz OKLJVSRXRUSNTC-MRXNPFEDSA-N 2 0 290.411 1.286 10 0 CDAERP CC(C)[NH2+]C[C@@H](C)N(C)C(=O)CCCC[NH+](C)C ZINC001667034397 1173225002 /nfs/dbraw/zinc/22/50/02/1173225002.db2.gz VNFSPKSVRXRBFB-CYBMUJFWSA-N 2 0 257.422 1.563 10 0 CDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000309703386 424328841 /nfs/dbraw/zinc/32/88/41/424328841.db2.gz GWHXMURMRKJOHD-IIAWOOMASA-N 2 0 289.423 1.621 10 0 CDAERP C([NH2+][C@H]1CCC[C@H]([C@@H]2CCOC2)C1)C12CC(C1)C[NH2+]2 ZINC000665279356 424490503 /nfs/dbraw/zinc/49/05/03/424490503.db2.gz ASUIRLACHKEMHH-RDRUIREHSA-N 2 0 264.413 1.923 10 0 CDAERP C[C@H](CCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)[NH+](C)C ZINC000662858684 424532663 /nfs/dbraw/zinc/53/26/63/424532663.db2.gz HJPZTRASGVFXIY-SYQHCUMBSA-N 2 0 267.417 1.364 10 0 CDAERP CCCCC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001667545181 1173284602 /nfs/dbraw/zinc/28/46/02/1173284602.db2.gz GMZUUWVUWFLLIB-AWEZNQCLSA-N 2 0 269.433 1.661 10 0 CDAERP CCC1(CC)C[N@H+](CCCn2ccnc2)CC[S@]1=O ZINC000185280024 270256963 /nfs/dbraw/zinc/25/69/63/270256963.db2.gz DVTLUSAVNGUJGH-LJQANCHMSA-N 2 0 283.441 1.896 10 0 CDAERP C[C@@H](CC[NH2+]Cc1cscn1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001667998566 1173354499 /nfs/dbraw/zinc/35/44/99/1173354499.db2.gz CSCRMNSXCAQZNW-AAEUAGOBSA-N 2 0 296.440 1.222 10 0 CDAERP CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001668059877 1173363189 /nfs/dbraw/zinc/36/31/89/1173363189.db2.gz KRRIVMFUFZOQCX-CHWSQXEVSA-N 2 0 255.406 1.364 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH2+]C2CCC(C(N)=O)CC2)[C@H](C)C1 ZINC000358169794 276216644 /nfs/dbraw/zinc/21/66/44/276216644.db2.gz DDSLGHHFHBJOOH-BLYZHGLHSA-N 2 0 267.417 1.350 10 0 CDAERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)C1 ZINC000261993990 276221726 /nfs/dbraw/zinc/22/17/26/276221726.db2.gz TUOOGGNJPOCWRM-QKPAOTATSA-N 2 0 281.444 1.075 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H](O)C2)[C@@H]2CCC[C@@H]21 ZINC000353515879 277171674 /nfs/dbraw/zinc/17/16/74/277171674.db2.gz FZWPTFQZFFVWNM-YXMSTPNBSA-N 2 0 266.429 2.000 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@H]1COc2ccc(F)cc2C1 ZINC000423126386 277245733 /nfs/dbraw/zinc/24/57/33/277245733.db2.gz ROVMLMCZWZVBIH-ZIAGYGMSSA-N 2 0 282.359 1.473 10 0 CDAERP CC(C)C(=O)NCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000368609385 277333183 /nfs/dbraw/zinc/33/31/83/277333183.db2.gz XWWRFIIJLVTMLS-MJBXVCDLSA-N 2 0 267.417 1.221 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1COc2ccccc2C1 ZINC000336889779 277563814 /nfs/dbraw/zinc/56/38/14/277563814.db2.gz GOICZHJAXICTAL-KGLIPLIRSA-N 2 0 264.369 1.334 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C[N@@H+]1C1CC1 ZINC000178866882 278022921 /nfs/dbraw/zinc/02/29/21/278022921.db2.gz LXPBXTFRBORCCQ-FDICVXPISA-N 2 0 291.439 1.649 10 0 CDAERP C[C@@H]1C[N@H+](C)C[C@H]1NCC1(C[NH+](C)C)CCCC1 ZINC000353165211 288097508 /nfs/dbraw/zinc/09/75/08/288097508.db2.gz HMQYTUDOERXHAT-ZIAGYGMSSA-N 2 0 253.434 1.648 10 0 CDAERP CC[N@H+](CC(=O)NCC[NH+]1[C@H](C)CCC[C@@H]1C)C1CC1 ZINC000343574970 279054571 /nfs/dbraw/zinc/05/45/71/279054571.db2.gz HDZKBSRRPBIKBX-OKILXGFUSA-N 2 0 281.444 1.850 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105125136 279156795 /nfs/dbraw/zinc/15/67/95/279156795.db2.gz YNMZBHGBHSYJDE-HUUCEWRRSA-N 2 0 296.459 1.596 10 0 CDAERP CC(C)C[C@H](CNC(=O)[C@@H]1CCC[C@H]1[NH3+])[NH+](C)C ZINC000251415691 279159540 /nfs/dbraw/zinc/15/95/40/279159540.db2.gz OWZKRIBWKPFMSH-JHJVBQTASA-N 2 0 255.406 1.206 10 0 CDAERP CC(C)C[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000227454348 279176734 /nfs/dbraw/zinc/17/67/34/279176734.db2.gz LWCGYJWPDMIOFU-AVGNSLFASA-N 2 0 253.390 1.055 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000371244062 279350677 /nfs/dbraw/zinc/35/06/77/279350677.db2.gz MHKORKBPSDBFOM-ZIAGYGMSSA-N 2 0 267.417 1.317 10 0 CDAERP CC(C)[C@@H](C)NC(=O)C1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000178970583 279818190 /nfs/dbraw/zinc/81/81/90/279818190.db2.gz AWSYJIPJHPBUIM-CQSZACIVSA-N 2 0 295.471 1.859 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](C)C[NH+]2CCCC2)C1 ZINC000194157354 280025966 /nfs/dbraw/zinc/02/59/66/280025966.db2.gz RJNJXMWDMFJMSV-CABCVRRESA-N 2 0 296.459 1.502 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)N(CC[NH+](C)C)CC(C)C)C1 ZINC000194171229 280026510 /nfs/dbraw/zinc/02/65/10/280026510.db2.gz QGDAXHILTCEUDR-OAHLLOKOSA-N 2 0 298.475 1.700 10 0 CDAERP O=C([C@@H]1CCC[NH2+]C1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000169816100 280087136 /nfs/dbraw/zinc/08/71/36/280087136.db2.gz NYHAYUDJWDKPND-HUUCEWRRSA-N 2 0 273.380 1.159 10 0 CDAERP C[NH+](C)C1(CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)CCCCC1 ZINC000091545978 282042199 /nfs/dbraw/zinc/04/21/99/282042199.db2.gz TURZSAZXDWNCFV-QWHCGFSZSA-N 2 0 267.417 1.495 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000336351014 282050162 /nfs/dbraw/zinc/05/01/62/282050162.db2.gz AXBFWOFCBWOENF-CQSZACIVSA-N 2 0 265.401 1.166 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000263207266 289066975 /nfs/dbraw/zinc/06/69/75/289066975.db2.gz JVWMSAKWPSSQIO-ZFWWWQNUSA-N 2 0 267.417 1.447 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC[C@@H](C)O ZINC000543236376 289583042 /nfs/dbraw/zinc/58/30/42/289583042.db2.gz JDHOUAAJQOGXJY-LLVKDONJSA-N 2 0 260.341 1.436 10 0 CDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H]2CC[C@@H](C)O2)CC1 ZINC000248965755 290084914 /nfs/dbraw/zinc/08/49/14/290084914.db2.gz QSOXVRYXWBESHN-SQWLQELKSA-N 2 0 284.444 1.579 10 0 CDAERP C[N@@H+]1CC[C@H](N[C@@H]2C[NH2+]CCC2(F)F)[C@H]2CCC[C@@H]21 ZINC000423485485 290225169 /nfs/dbraw/zinc/22/51/69/290225169.db2.gz RSTCVEHBFADQAH-MROQNXINSA-N 2 0 273.371 1.446 10 0 CDAERP COc1ccccc1OCC[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000562958418 293226375 /nfs/dbraw/zinc/22/63/75/293226375.db2.gz HULSWKMLDVURJD-QWHCGFSZSA-N 2 0 264.369 1.662 10 0 CDAERP [NH3+]CCC[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000563215682 293315268 /nfs/dbraw/zinc/31/52/68/293315268.db2.gz NNYGMWDHVLGSBL-UHFFFAOYSA-N 2 0 259.357 1.258 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN[C@@H]1CCCC[C@H]1[NH3+] ZINC000564442289 293356706 /nfs/dbraw/zinc/35/67/06/293356706.db2.gz WPTJWHGZSCAYKC-HZPDHXFCSA-N 2 0 285.395 1.935 10 0 CDAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1C[C@H]1C1CC1 ZINC000568600329 294064551 /nfs/dbraw/zinc/06/45/51/294064551.db2.gz GTKAVZTUWCLVGF-GJZGRUSLSA-N 2 0 296.459 1.167 10 0 CDAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC(C)(C)C2=CCCC2)CC1 ZINC000568620732 294068325 /nfs/dbraw/zinc/06/83/25/294068325.db2.gz OXZPSFRECQYCCP-INIZCTEOSA-N 2 0 295.471 1.321 10 0 CDAERP C[C@@H](C(=O)N1CCc2ccccc2[C@@H]1C[NH3+])[C@H](C)[NH3+] ZINC000568631188 294072557 /nfs/dbraw/zinc/07/25/57/294072557.db2.gz WCSUKYUWWKUTKR-SUNKGSAMSA-N 2 0 261.369 1.054 10 0 CDAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)[C@@H](C)O)cn2)CC1 ZINC000572834592 294699428 /nfs/dbraw/zinc/69/94/28/294699428.db2.gz RPHURLOQFRTZQX-UONOGXRCSA-N 2 0 292.427 1.082 10 0 CDAERP CC(C)OC[C@@H](O)C[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000574803933 295056209 /nfs/dbraw/zinc/05/62/09/295056209.db2.gz URVYWGWZXCTBSL-INIZCTEOSA-N 2 0 286.460 1.874 10 0 CDAERP [NH3+]C1(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)CCCC1 ZINC000371239393 295201292 /nfs/dbraw/zinc/20/12/92/295201292.db2.gz ZKUPHDBRIRUWRD-CHWSQXEVSA-N 2 0 265.401 1.249 10 0 CDAERP [NH3+][C@H]1CCC[C@H](C(=O)NCCC[NH+]2CCCCCC2)C1 ZINC000237913229 295337456 /nfs/dbraw/zinc/33/74/56/295337456.db2.gz ALURUTIWSNQIER-GJZGRUSLSA-N 2 0 281.444 1.886 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000225479747 297094899 /nfs/dbraw/zinc/09/48/99/297094899.db2.gz GPXXOKMAIMUDTG-BPLDGKMQSA-N 2 0 277.412 1.023 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000336219448 297270109 /nfs/dbraw/zinc/27/01/09/297270109.db2.gz YXQUUCZWGFZSEK-OCCSQVGLSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@H]([NH3+])c1ccc(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000335500149 299001881 /nfs/dbraw/zinc/00/18/81/299001881.db2.gz MWOFEZSFQYKLMU-SUMWQHHRSA-N 2 0 287.407 1.922 10 0 CDAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCCCCC[NH3+] ZINC000251550553 300317910 /nfs/dbraw/zinc/31/79/10/300317910.db2.gz BFAXRZWLNIHSCO-KBPBESRZSA-N 2 0 267.417 1.591 10 0 CDAERP [NH3+]Cc1ccc2c(c1)CCCN2C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000261896834 303432564 /nfs/dbraw/zinc/43/25/64/303432564.db2.gz DDGMQFRWHQXXHM-OAHLLOKOSA-N 2 0 299.418 1.814 10 0 CDAERP [NH3+][C@@H]1CCC[C@H](C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000220331304 303462953 /nfs/dbraw/zinc/46/29/53/303462953.db2.gz VMUDDTPLRHDJLC-RRFJBIMHSA-N 2 0 279.428 1.591 10 0 CDAERP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+](CCC2CC2)C1 ZINC001671675216 1173702631 /nfs/dbraw/zinc/70/26/31/1173702631.db2.gz UHJTUBPGXAKUDT-OAHLLOKOSA-N 2 0 267.417 1.319 10 0 CDAERP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000563875342 316386866 /nfs/dbraw/zinc/38/68/66/316386866.db2.gz MAOCWLPORPPGJS-APIJFGDWSA-N 2 0 294.443 1.145 10 0 CDAERP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)[C@H]1CCCCC[NH2+]1 ZINC000577208339 317286056 /nfs/dbraw/zinc/28/60/56/317286056.db2.gz UBNCNQBTVKOMCC-CQSZACIVSA-N 2 0 291.370 1.942 10 0 CDAERP CC[C@H](F)C[NH2+]CC[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001672909979 1173809441 /nfs/dbraw/zinc/80/94/41/1173809441.db2.gz JRQGCYRPJOHABF-GJZGRUSLSA-N 2 0 299.434 1.659 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@H](C)CS(=O)(=O)CC)CC1 ZINC000182830729 323303838 /nfs/dbraw/zinc/30/38/38/323303838.db2.gz JSNVRLCNOMUKBQ-CYBMUJFWSA-N 2 0 290.473 1.521 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N(C)CCC[NH+](C)C ZINC000185366873 323389000 /nfs/dbraw/zinc/38/90/00/323389000.db2.gz ICTKAJYUHDPGBM-CYBMUJFWSA-N 2 0 272.437 1.310 10 0 CDAERP CN(CCC[NH3+])C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000579570489 324218936 /nfs/dbraw/zinc/21/89/36/324218936.db2.gz MIBSTPDOQSSVPF-HNNXBMFYSA-N 2 0 292.427 1.150 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CO[C@H](C)C1 ZINC000581369226 324725144 /nfs/dbraw/zinc/72/51/44/324725144.db2.gz LVPSOPROJCDPCA-BXUZGUMPSA-N 2 0 272.352 1.843 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000581595360 324788664 /nfs/dbraw/zinc/78/86/64/324788664.db2.gz HIEOPZICDDIYSW-AWEZNQCLSA-N 3 0 285.395 1.665 10 0 CDAERP C[C@H]([NH2+][C@@H]1COc2ccccc2C1)[C@@H]1CCC[NH2+]C1 ZINC000582474272 324981614 /nfs/dbraw/zinc/98/16/14/324981614.db2.gz IZLSGCCBTMIXEA-CFVMTHIKSA-N 2 0 260.381 1.968 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001732067880 1159721436 /nfs/dbraw/zinc/72/14/36/1159721436.db2.gz AZSNGWHKOWHOGX-HOTGVXAUSA-N 2 0 293.455 1.827 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CC1CC(C)(C)C1 ZINC001714270281 1159755899 /nfs/dbraw/zinc/75/58/99/1159755899.db2.gz NGSCJQAHMOVRAK-LBPRGKRZSA-N 2 0 269.433 1.469 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]CCc1ccns1 ZINC001268716823 1160007892 /nfs/dbraw/zinc/00/78/92/1160007892.db2.gz LOOONZDLIYLCOO-LBPRGKRZSA-N 2 0 298.456 1.120 10 0 CDAERP CC(C)=CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001700450501 1176937424 /nfs/dbraw/zinc/93/74/24/1176937424.db2.gz AWTGHOMVZQWGMU-KGLIPLIRSA-N 2 0 267.417 1.483 10 0 CDAERP C(OC1CC[NH+](C[C@H]2CNCCO2)CC1)[C@@H]1CCCCO1 ZINC000662258837 482209862 /nfs/dbraw/zinc/20/98/62/482209862.db2.gz LWLHIUWJHLIEGI-JKSUJKDBSA-N 2 0 298.427 1.025 10 0 CDAERP C[C@H](CO)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000678043468 482391418 /nfs/dbraw/zinc/39/14/18/482391418.db2.gz AGFVXRSMFFIELW-AWEZNQCLSA-N 2 0 270.417 1.049 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000662620909 482408757 /nfs/dbraw/zinc/40/87/57/482408757.db2.gz SGSNROQUSMGWTA-OLZOCXBDSA-N 2 0 267.417 1.508 10 0 CDAERP CC1(C)CN(C(=O)c2ccccc2CC[NH3+])CC[NH2+]1 ZINC000653147897 482424752 /nfs/dbraw/zinc/42/47/52/482424752.db2.gz FNSXRGFFOLCPDN-UHFFFAOYSA-N 2 0 261.369 1.012 10 0 CDAERP CC(C)[NH+]1CCN(CCC[NH+]2C[C@H](C)C(O)[C@@H](C)C2)CC1 ZINC000661621436 482435756 /nfs/dbraw/zinc/43/57/56/482435756.db2.gz DXXQSNOVRHUQTL-HOTGVXAUSA-N 2 0 297.487 1.351 10 0 CDAERP CC[NH+](CC)CC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000653184189 482482921 /nfs/dbraw/zinc/48/29/21/482482921.db2.gz NNJXXMALMNVHEW-KKUMJFAQSA-N 2 0 297.443 1.073 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(C[NH3+])o1 ZINC000094573232 482533101 /nfs/dbraw/zinc/53/31/01/482533101.db2.gz ZWOHKKBDOGYWOJ-LLVKDONJSA-N 2 0 265.357 1.295 10 0 CDAERP C[NH+]1CCCC[C@H]1CCC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000672770045 482604980 /nfs/dbraw/zinc/60/49/80/482604980.db2.gz KMEQZFVAPNAVGQ-KBPBESRZSA-N 2 0 267.417 1.461 10 0 CDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC/C=C/C[NH3+] ZINC000669552648 482664182 /nfs/dbraw/zinc/66/41/82/482664182.db2.gz MACDOWWLYLKMCC-PSKZRQQASA-N 2 0 290.411 1.321 10 0 CDAERP Cc1cncc(CC[NH2+][C@H](C)C2CC[NH+](C)CC2)n1 ZINC000402730678 482778216 /nfs/dbraw/zinc/77/82/16/482778216.db2.gz CLNUMEHTKBHYFT-CYBMUJFWSA-N 2 0 262.401 1.647 10 0 CDAERP O=C(Cn1ccnc1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673655579 482800968 /nfs/dbraw/zinc/80/09/68/482800968.db2.gz GHSGQLPBMJWDHI-UHFFFAOYSA-N 2 0 268.280 1.103 10 0 CDAERP CCO[C@@H]1C[N@H+](C[C@H](OC)c2ccccc2)C[C@H]1C[NH3+] ZINC000405293639 482864250 /nfs/dbraw/zinc/86/42/50/482864250.db2.gz JKUDICURLOYTGI-OWCLPIDISA-N 2 0 278.396 1.670 10 0 CDAERP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)COCc1ccco1 ZINC000250082568 483013269 /nfs/dbraw/zinc/01/32/69/483013269.db2.gz JQXJMMPGYVRFOS-QLFBSQMISA-N 2 0 294.395 1.374 10 0 CDAERP [NH3+][C@H](CNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1)C1CC1 ZINC000667148792 483110785 /nfs/dbraw/zinc/11/07/85/483110785.db2.gz YKEXNBRATBMUAT-CYBMUJFWSA-N 2 0 286.339 1.126 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)C[C@H]2CC[NH2+]C2)CC1 ZINC000089745549 483129757 /nfs/dbraw/zinc/12/97/57/483129757.db2.gz IPZOYKSZTBCVDC-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667851568 483460030 /nfs/dbraw/zinc/46/00/30/483460030.db2.gz RVVULJHJTKLPIC-PVAVHDDUSA-N 2 0 295.471 1.417 10 0 CDAERP C[NH+](C)C1CCN(CC[NH2+][C@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667935197 483484856 /nfs/dbraw/zinc/48/48/56/483484856.db2.gz GOHDEAJFSDVXRL-GDBMZVCRSA-N 2 0 281.444 1.170 10 0 CDAERP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)[C@@H]1C[C@H]1C ZINC000321971085 483486176 /nfs/dbraw/zinc/48/61/76/483486176.db2.gz ZZNLWFIKSHBTOE-MGPQQGTHSA-N 2 0 253.434 1.647 10 0 CDAERP CC(C)C[NH+]1CCN(CCCC[NH2+]C2CC2)CC1 ZINC000055075974 519725537 /nfs/dbraw/zinc/72/55/37/519725537.db2.gz GUTLIMLXGUYVLY-UHFFFAOYSA-N 2 0 253.434 1.792 10 0 CDAERP CC(C)C[NH2+]CCCC[N@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000052482703 519743239 /nfs/dbraw/zinc/74/32/39/519743239.db2.gz XWOCQAKCQNRHHX-ZDUSSCGKSA-N 2 0 276.446 1.131 10 0 CDAERP CCC[NH2+]CCC[C@@H](C)[NH+]1CCN(C2CC2)CC1 ZINC000052371362 519912802 /nfs/dbraw/zinc/91/28/02/519912802.db2.gz OXKOQVLBNCQHRX-CQSZACIVSA-N 2 0 253.434 1.935 10 0 CDAERP CC[NH2+]CCS(=O)(=O)N[C@H](C)CCC[NH+](CC)CC ZINC000049641145 519925680 /nfs/dbraw/zinc/92/56/80/519925680.db2.gz FHXBTQRJBWNDTB-CYBMUJFWSA-N 2 0 293.477 1.026 10 0 CDAERP CCC[NH2+]C[C@H](C)C[N@H+](CCCOC)CCOC ZINC000052543216 519929288 /nfs/dbraw/zinc/92/92/88/519929288.db2.gz IZEOAYSPKWLHBJ-AWEZNQCLSA-N 2 0 260.422 1.607 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000061266231 519963796 /nfs/dbraw/zinc/96/37/96/519963796.db2.gz WCVRLAFSEGSIEQ-QWHCGFSZSA-N 2 0 255.406 1.223 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C[C@@H](O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001649885955 1161209642 /nfs/dbraw/zinc/20/96/42/1161209642.db2.gz DLZLXJPUGOIPJQ-PMPSAXMXSA-N 2 0 285.476 1.350 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001483934455 1161242871 /nfs/dbraw/zinc/24/28/71/1161242871.db2.gz NBOCFWDSLZYBIU-HNNXBMFYSA-N 2 0 293.455 1.853 10 0 CDAERP CC[NH+](CC)CCCCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000236844806 520592271 /nfs/dbraw/zinc/59/22/71/520592271.db2.gz IVAUGUGYSWNKPY-CHWSQXEVSA-N 2 0 255.406 1.352 10 0 CDAERP CCC[C@]1(C(=O)NC[C@@H]2CC[N@H+](CC)C2)CC[NH2+]C1 ZINC000062893805 521298398 /nfs/dbraw/zinc/29/83/98/521298398.db2.gz HQEIARMZWISNFV-ZFWWWQNUSA-N 2 0 267.417 1.224 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001485943726 1161446649 /nfs/dbraw/zinc/44/66/49/1161446649.db2.gz CVGNXIUXAMPRFB-CQSZACIVSA-N 2 0 279.428 1.485 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)[NH2+]CCCF ZINC001732221531 1182866508 /nfs/dbraw/zinc/86/65/08/1182866508.db2.gz KDDKHUXYPXALAJ-KBPBESRZSA-N 2 0 287.423 1.705 10 0 CDAERP C[NH2+][C@@H](C)CCNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC001771781681 1161964028 /nfs/dbraw/zinc/96/40/28/1161964028.db2.gz XJSOIPVUEJBUSH-WFASDCNBSA-N 2 0 289.423 1.793 10 0 CDAERP [NH3+][C@@H]1CC[C@@H](C(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000091540656 518197600 /nfs/dbraw/zinc/19/76/00/518197600.db2.gz HSDQYUNZQVVBAA-CHWSQXEVSA-N 2 0 265.401 1.201 10 0 CDAERP C(C[N@@H+]1CCC[C@H]2CCCC[C@@H]21)N1CCC[NH2+]CC1 ZINC000061275049 518389406 /nfs/dbraw/zinc/38/94/06/518389406.db2.gz OBYCKNUHXUASME-CVEARBPZSA-N 2 0 265.445 1.936 10 0 CDAERP C(CN1CC[C@@H]([NH+]2CCCCC2)C1)[NH2+]C[C@@H]1CCOC1 ZINC000062974693 518391982 /nfs/dbraw/zinc/39/19/82/518391982.db2.gz HSOQKBXCUAGSCQ-JKSUJKDBSA-N 2 0 281.444 1.173 10 0 CDAERP CC(C)(C)[NH+]1CCN(C(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000061612789 518711597 /nfs/dbraw/zinc/71/15/97/518711597.db2.gz QVGGTLQPJIMSNI-OAHLLOKOSA-N 2 0 289.423 1.672 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000055132082 519724950 /nfs/dbraw/zinc/72/49/50/519724950.db2.gz MZPZDHOXSAHSLB-ZNMIVQPWSA-N 2 0 281.444 1.550 10 0 CDAERP CC(C)C[NH+]1CCN(Cc2ccccc2C(N)=[NH2+])CC1 ZINC000055079667 519726952 /nfs/dbraw/zinc/72/69/52/519726952.db2.gz DFSMZGNICXUCHC-UHFFFAOYSA-N 2 0 274.412 1.744 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CC[C@H](C[NH+]2CCN(C)CC2)O1 ZINC000052379556 519746460 /nfs/dbraw/zinc/74/64/60/519746460.db2.gz HBQHOIQXWNNXBK-HUUCEWRRSA-N 2 0 269.433 1.027 10 0 CDAERP CCCC(C[NH3+])(CCC)N1CCN(CC[NH+](C)C)CC1 ZINC000061643194 519885084 /nfs/dbraw/zinc/88/50/84/519885084.db2.gz JXPPAMDYNODDJT-UHFFFAOYSA-N 2 0 284.492 1.463 10 0 CDAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)CN1CCOCC1 ZINC000054629660 519909016 /nfs/dbraw/zinc/90/90/16/519909016.db2.gz OQVSVBHMRFICTC-XYTVBORESA-N 2 0 295.471 1.702 10 0 CDAERP CC[NH2+]CC1(C[N@H+](C)CCc2ccccn2)CCOCC1 ZINC000052181151 519911662 /nfs/dbraw/zinc/91/16/62/519911662.db2.gz VSHSTQARMMGRSR-UHFFFAOYSA-N 2 0 291.439 1.962 10 0 CDAERP CC[NH2+]CC1(C[N@@H+]2CCC[C@H](OCC)C2)CCOCC1 ZINC000052198122 519912833 /nfs/dbraw/zinc/91/28/33/519912833.db2.gz QXBTZSHFVHIDOE-HNNXBMFYSA-N 2 0 284.444 1.894 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000061272728 520061750 /nfs/dbraw/zinc/06/17/50/520061750.db2.gz NEPBEBXAXZHLFR-UONOGXRCSA-N 2 0 267.417 1.461 10 0 CDAERP CC[NH2+][C@](C)(C[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1)C(=O)[O-] ZINC000068632227 520236646 /nfs/dbraw/zinc/23/66/46/520236646.db2.gz MFNGIDRKQZLJAH-CZUORRHYSA-N 2 0 299.459 1.491 10 0 CDAERP CCO[C@@H]1CCC[N@H+](CC2(C[NH3+])CCOCC2)C1 ZINC000052198142 520320914 /nfs/dbraw/zinc/32/09/14/520320914.db2.gz KZEYDGVQOWMHKR-CYBMUJFWSA-N 2 0 256.390 1.243 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@@H]1CCC[C@@H](C)[C@@H]1[NH3+] ZINC000055123413 520616951 /nfs/dbraw/zinc/61/69/51/520616951.db2.gz WIGKJZSKCJYOFW-MCIONIFRSA-N 2 0 269.433 1.598 10 0 CDAERP CC[NH+](CC)CCNC(=O)NC[C@@H](C)[NH+](CC)CC ZINC000337322293 520674528 /nfs/dbraw/zinc/67/45/28/520674528.db2.gz KGMNQNPCXRJEPQ-CYBMUJFWSA-N 2 0 272.437 1.358 10 0 CDAERP CCCC[NH2+]CCN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000062974730 520691228 /nfs/dbraw/zinc/69/12/28/520691228.db2.gz VIHSXBOTWIZHHG-OAHLLOKOSA-N 2 0 253.434 1.936 10 0 CDAERP CCC[C@@H]([NH3+])[C@H](CC)N1CCN(CC[NH+](C)C)CC1 ZINC000061643867 520727194 /nfs/dbraw/zinc/72/71/94/520727194.db2.gz UMNOMJGVPJKEMT-CABCVRRESA-N 2 0 270.465 1.072 10 0 CDAERP CCCCOCC[NH2+]CCN1CC[NH+]([C@H](C)CC)CC1 ZINC000055074924 520781022 /nfs/dbraw/zinc/78/10/22/520781022.db2.gz XTAVTNQEPUEMMG-MRXNPFEDSA-N 2 0 285.476 1.809 10 0 CDAERP CC[N@H+](CCN1CCC[NH2+]CC1)Cc1ccccc1 ZINC000061274974 521045518 /nfs/dbraw/zinc/04/55/18/521045518.db2.gz LTMOLWKQFDOZQD-UHFFFAOYSA-N 2 0 261.413 1.804 10 0 CDAERP CCC(CC)[C@@H](CNC(=O)CC[NH3+])[NH+]1CCCC1 ZINC000164394684 521602432 /nfs/dbraw/zinc/60/24/32/521602432.db2.gz NTQMMKZGCGNPQL-CYBMUJFWSA-N 2 0 255.406 1.352 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c(c2)C[NH2+]C3)C1 ZINC000156726673 521622827 /nfs/dbraw/zinc/62/28/27/521622827.db2.gz NFSDSZLULBCFHN-OAHLLOKOSA-N 2 0 273.380 1.504 10 0 CDAERP CCC[NH+](CCC)CCCNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000236991897 521645921 /nfs/dbraw/zinc/64/59/21/521645921.db2.gz LZEVLAJQDRXDON-KGLIPLIRSA-N 2 0 269.433 1.742 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@H]1CCC[C@H](CC[NH3+])C1 ZINC000055162770 521655785 /nfs/dbraw/zinc/65/57/85/521655785.db2.gz ONFFPNIYPZRMIV-CABCVRRESA-N 2 0 283.460 1.942 10 0 CDAERP C[NH+](C)CCN1CC[NH+](CCC[C@@H]2CCCC[NH2+]2)CC1 ZINC000061652519 521765203 /nfs/dbraw/zinc/76/52/03/521765203.db2.gz FJWUBSWMIRZVNN-INIZCTEOSA-N 3 0 282.476 1.088 10 0 CDAERP COCC[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000052792635 521826984 /nfs/dbraw/zinc/82/69/84/521826984.db2.gz XPJWBAUJNPEOCM-CYBMUJFWSA-N 2 0 265.357 1.051 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000061656220 521864105 /nfs/dbraw/zinc/86/41/05/521864105.db2.gz GUWSHVXEGDPXCW-UPJWGTAASA-N 2 0 253.390 1.057 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C[C@]2(C[NH2+]C(C)C)CCOC2)CC1 ZINC000055071790 522124124 /nfs/dbraw/zinc/12/41/24/522124124.db2.gz QYFZNNQJXJHBJT-IAGOWNOFSA-N 2 0 297.487 1.807 10 0 CDAERP CC[C@@H](C)[NH+]1CCN([C@@H](c2cccnc2)[C@@H](C)[NH3+])CC1 ZINC000055064091 522128996 /nfs/dbraw/zinc/12/89/96/522128996.db2.gz HGWZPGVNIRSBLZ-IIAWOOMASA-N 2 0 276.428 1.886 10 0 CDAERP CC[C@@H](C)[NH+]1CCN([C@@H](c2ccncc2)[C@@H](C)[NH3+])CC1 ZINC000055064113 522129789 /nfs/dbraw/zinc/12/97/89/522129789.db2.gz KBQFEECKBWMDGF-IIAWOOMASA-N 2 0 276.428 1.886 10 0 CDAERP C[NH2+]Cc1cn(CC[N@H+](C)[C@@H]2CCC[C@@H](C)C2)nn1 ZINC000052513783 522141897 /nfs/dbraw/zinc/14/18/97/522141897.db2.gz VEEGPCSTOVELGG-TZMCWYRMSA-N 2 0 265.405 1.508 10 0 CDAERP CC[C@H](C[NH2+]C)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000052416939 522192898 /nfs/dbraw/zinc/19/28/98/522192898.db2.gz LNLOTYVANVPTJD-HZPDHXFCSA-N 2 0 261.413 1.973 10 0 CDAERP COC(=O)C[C@@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062032356 523263407 /nfs/dbraw/zinc/26/34/07/523263407.db2.gz SQHWVHNHWBPDOB-CYBMUJFWSA-N 2 0 268.401 1.746 10 0 CDAERP COCC[N@H+]([C@H](C)CC[NH2+]C1CC1)[C@@H](C)COC ZINC000052572462 523781192 /nfs/dbraw/zinc/78/11/92/523781192.db2.gz ZFISUCDDOQWNFD-OLZOCXBDSA-N 2 0 258.406 1.500 10 0 CDAERP CN(C(=O)CCC1CC[NH2+]CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000156088621 523799499 /nfs/dbraw/zinc/79/94/99/523799499.db2.gz TVKOOTYEAVZXTM-YIONKMFJSA-N 2 0 279.428 1.508 10 0 CDAERP COCC[NH2+]Cc1cc(F)ccc1N1CCC[N@H+](C)CC1 ZINC000062734903 523950022 /nfs/dbraw/zinc/95/00/22/523950022.db2.gz HZXZZJMRVASNGQ-UHFFFAOYSA-N 2 0 295.402 1.704 10 0 CDAERP CC[C@H](C)[NH+]1CCN(c2nc(C)ccc2C[NH3+])CC1 ZINC000055063368 523962177 /nfs/dbraw/zinc/96/21/77/523962177.db2.gz STENBVXRYBKLHN-ZDUSSCGKSA-N 2 0 262.401 1.769 10 0 CDAERP C[NH+](C)CC1CC[NH+](C[C@H](O)c2ccccc2N)CC1 ZINC000051327002 524049751 /nfs/dbraw/zinc/04/97/51/524049751.db2.gz WRYZGVUNNZAHLV-INIZCTEOSA-N 2 0 277.412 1.576 10 0 CDAERP C[NH+](C)CCCCNC(=O)c1c[nH+]c(NN)c(Cl)c1 ZINC000051115756 524052410 /nfs/dbraw/zinc/05/24/10/524052410.db2.gz DBMGTBKAKRVPOL-UHFFFAOYSA-N 2 0 285.779 1.092 10 0 CDAERP C[NH+](C)CCCOc1ccc(C(N)=[NH2+])cc1Cl ZINC000062794757 524058030 /nfs/dbraw/zinc/05/80/30/524058030.db2.gz NLXGEMAWLRYTSB-UHFFFAOYSA-N 2 0 255.749 1.955 10 0 CDAERP C[C@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000055138528 524204122 /nfs/dbraw/zinc/20/41/22/524204122.db2.gz OJZUFVQDVAPWKJ-XDQVBPFNSA-N 2 0 267.417 1.208 10 0 CDAERP C[C@@H]1CCC[C@@H]([N@H+](C)CCn2cc(C[NH3+])nn2)C1 ZINC000052513843 524300402 /nfs/dbraw/zinc/30/04/02/524300402.db2.gz ASUGNTSFONEILD-DGCLKSJQSA-N 2 0 251.378 1.247 10 0 CDAERP C[C@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000055138520 524415010 /nfs/dbraw/zinc/41/50/10/524415010.db2.gz XAKQBAUMZRYVLK-XUXIUFHCSA-N 2 0 267.417 1.208 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCCC[C@@H]1[NH3+])C[NH+]1CCCC1 ZINC000062073293 524450445 /nfs/dbraw/zinc/45/04/45/524450445.db2.gz AFFGKKGIBURJFR-RDBSUJKOSA-N 2 0 267.417 1.352 10 0 CDAERP C[C@@H](CC[NH+](C)C)NC(=O)c1c[nH+]c(NN)c(Cl)c1 ZINC000051120712 524471552 /nfs/dbraw/zinc/47/15/52/524471552.db2.gz LWHYVMPVLQKUMW-QMMMGPOBSA-N 2 0 285.779 1.091 10 0 CDAERP C[C@@H](C[NH+]1CCCC1)NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000055090491 524590093 /nfs/dbraw/zinc/59/00/93/524590093.db2.gz GTHGKPGUFYCGSO-AVGNSLFASA-N 2 0 253.390 1.104 10 0 CDAERP C[C@@H]1CC[C@@H]([NH3+])C[C@@H]1C(=O)NCCCC[NH+](C)C ZINC000055138970 524602604 /nfs/dbraw/zinc/60/26/04/524602604.db2.gz SWZGVOBTMVACJL-UPJWGTAASA-N 2 0 255.406 1.208 10 0 CDAERP C[C@@H]1CC[C@H](C(=O)NCC[NH+]2CCCCCC2)C[C@@H]1[NH3+] ZINC000055136204 524634232 /nfs/dbraw/zinc/63/42/32/524634232.db2.gz ZFRWQPOQCVWSPV-ILXRZTDVSA-N 2 0 281.444 1.742 10 0 CDAERP C[C@H]([NH3+])c1cnc(N2CCC(C[NH+](C)C)CC2)s1 ZINC000054897120 524868961 /nfs/dbraw/zinc/86/89/61/524868961.db2.gz SLNGYOREENWPDA-JTQLQIEISA-N 2 0 268.430 1.941 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1coc(C[NH3+])c1 ZINC000188213496 525084838 /nfs/dbraw/zinc/08/48/38/525084838.db2.gz WENRVGIKTPNPKI-ZYHUDNBSSA-N 2 0 263.341 1.047 10 0 CDAERP C[C@@H]1C[C@H]([NH3+])CC[C@@H]1C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC000055141113 525419398 /nfs/dbraw/zinc/41/93/98/525419398.db2.gz PYCIYQPIZACWLA-MCIONIFRSA-N 2 0 281.444 1.693 10 0 CDAERP C[C@@]([NH3+])(CN[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000052883622 525750958 /nfs/dbraw/zinc/75/09/58/525750958.db2.gz FRZPEXUWDDFMAS-GDBMZVCRSA-N 2 0 259.397 1.687 10 0 CDAERP COc1cccc(C[N@H+](C)CC2(O)CC[NH2+]CC2)c1 ZINC000051016343 525913022 /nfs/dbraw/zinc/91/30/22/525913022.db2.gz GMSXQNJNCKDUQT-UHFFFAOYSA-N 2 0 264.369 1.242 10 0 CDAERP O=C(CC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)NC1CC1 ZINC000063200467 526482601 /nfs/dbraw/zinc/48/26/01/526482601.db2.gz CHSRUYORWYENBR-CQSZACIVSA-N 2 0 265.401 1.119 10 0 CDAERP Cc1oc(CN2CCC([NH+](C)C)CC2)cc1C[NH3+] ZINC000052477651 526771630 /nfs/dbraw/zinc/77/16/30/526771630.db2.gz IWMICTXNTNBLBQ-UHFFFAOYSA-N 2 0 251.374 1.573 10 0 CDAERP CC(C)OCC[NH+]1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000262128782 535332155 /nfs/dbraw/zinc/33/21/55/535332155.db2.gz XYMKGHBVBKMBLD-HNNXBMFYSA-N 2 0 269.433 1.029 10 0 CDAERP CC[NH+]1CCC(CC[NH2+][C@H](CCC[NH3+])COC)CC1 ZINC000422792170 535451717 /nfs/dbraw/zinc/45/17/17/535451717.db2.gz VQVBZIMSWPBSAB-OAHLLOKOSA-N 3 0 271.449 1.452 10 0 CDAERP CC[C@@H](Cn1cncn1)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000414185929 535778229 /nfs/dbraw/zinc/77/82/29/535778229.db2.gz OUGHRZIIIUKJHI-KGLIPLIRSA-N 2 0 265.405 1.378 10 0 CDAERP COC(=O)/C(C)=C/CN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000748825935 576928174 /nfs/dbraw/zinc/92/81/74/576928174.db2.gz ZVTJMTMAVPKQDG-MRHLJLSQSA-N 2 0 280.412 1.769 10 0 CDAERP CC(C)[NH2+][C@H]1C[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001688915492 1175066574 /nfs/dbraw/zinc/06/65/74/1175066574.db2.gz XBFAAAKWZKIVSD-OKILXGFUSA-N 2 0 269.433 1.611 10 0 CDAERP CCc1nncn1CC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925516821 617426879 /nfs/dbraw/zinc/42/68/79/617426879.db2.gz SWEZDMANQSTTGX-CABCVRRESA-N 2 0 291.443 1.598 10 0 CDAERP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@H](COC)C(C)C)CC1 ZINC000930663262 617499670 /nfs/dbraw/zinc/49/96/70/617499670.db2.gz HVYSMKHZCYMAQU-MRXNPFEDSA-N 2 0 299.503 1.911 10 0 CDAERP CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)O1 ZINC000925627848 617575913 /nfs/dbraw/zinc/57/59/13/617575913.db2.gz AFUAUYHOHGBISA-FQUUOJAGSA-N 2 0 297.443 1.118 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCCc2cccnc21 ZINC000925872276 617932602 /nfs/dbraw/zinc/93/26/02/617932602.db2.gz RCOJOLYMLCUYNU-UONOGXRCSA-N 2 0 263.385 1.803 10 0 CDAERP COCC[C@H](COC)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925677598 617645012 /nfs/dbraw/zinc/64/50/12/617645012.db2.gz VQLISHXBOHELNP-XQQFMLRXSA-N 2 0 258.406 1.534 10 0 CDAERP C[C@H](CCO)CC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925679159 617650706 /nfs/dbraw/zinc/65/07/06/617650706.db2.gz HVCCVYWXNKODPW-CRWXNKLISA-N 2 0 254.418 1.761 10 0 CDAERP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925777434 617675598 /nfs/dbraw/zinc/67/55/98/617675598.db2.gz DOWOBWKMPQBMNF-VXGBXAGGSA-N 2 0 291.386 1.468 10 0 CDAERP [NH3+][C@@H]1C[C@@H](NCCN2CCC([NH3+])CC2)c2ccccc21 ZINC000925816080 617771695 /nfs/dbraw/zinc/77/16/95/617771695.db2.gz DLEOTVZJAOUHQS-HZPDHXFCSA-N 2 0 274.412 1.144 10 0 CDAERP C[C@@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000925833399 617859014 /nfs/dbraw/zinc/85/90/14/617859014.db2.gz HJSNMXUGHPEZET-UTUOFQBUSA-N 2 0 281.366 1.989 10 0 CDAERP Cc1cc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)nn1C ZINC000925835952 617865098 /nfs/dbraw/zinc/86/50/98/617865098.db2.gz XLLUILPTMCCDFU-MGPQQGTHSA-N 2 0 262.401 1.249 10 0 CDAERP CC[N@@H+]1CC[C@H](NC[C@]23CCC[C@H]2[NH2+]CC3)[C@@H](C)C1 ZINC000925844092 617877780 /nfs/dbraw/zinc/87/77/80/617877780.db2.gz VYHZQVSXMLZWPT-CAOSSQGBSA-N 2 0 265.445 1.839 10 0 CDAERP C(CC[NH2+]C1CCSCC1)CCN1CC[NH2+]CC1 ZINC000925845927 617880112 /nfs/dbraw/zinc/88/01/12/617880112.db2.gz PYAQMSUIZSJQFI-UHFFFAOYSA-N 2 0 271.474 1.547 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CCCCCN2CC[NH2+]CC2)[C@@H](C)O1 ZINC000925847633 617883768 /nfs/dbraw/zinc/88/37/68/617883768.db2.gz SSVWGHPSLLJWBZ-RBSFLKMASA-N 2 0 269.433 1.217 10 0 CDAERP O=C1O[C@H](C[NH2+][C@H]2CCC23CCC3)CC12CC[NH2+]CC2 ZINC000925850799 617887736 /nfs/dbraw/zinc/88/77/36/617887736.db2.gz QEPAVTLIYIHUBE-STQMWFEESA-N 2 0 278.396 1.594 10 0 CDAERP CC1(C)[C@H](N[C@@H]2CC[NH2+]C23CCC3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925724476 617909179 /nfs/dbraw/zinc/90/91/79/617909179.db2.gz YRHGOMNCBQTSON-YIYPIFLZSA-N 2 0 263.429 1.637 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(OC)c(OC)c1C ZINC000925876525 617950128 /nfs/dbraw/zinc/95/01/28/617950128.db2.gz AKZTXRSTUJZKJF-CQSZACIVSA-N 2 0 296.411 1.856 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000923416227 618326828 /nfs/dbraw/zinc/32/68/28/618326828.db2.gz UTUCPUDUCPTHQD-KOLCDFICSA-N 2 0 268.323 1.607 10 0 CDAERP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)C1 ZINC000923425952 618331421 /nfs/dbraw/zinc/33/14/21/618331421.db2.gz QFZKBAWWOGKKMS-HTFCKZLJSA-N 2 0 278.318 1.501 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@@H]2C[C@@H](C)n3ncnc32)CC1 ZINC000924954217 618390730 /nfs/dbraw/zinc/39/07/30/618390730.db2.gz FYPGXGIVHZSMJT-TZMCWYRMSA-N 2 0 277.416 1.996 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](O)c1ccccc1C ZINC000817889187 618483210 /nfs/dbraw/zinc/48/32/10/618483210.db2.gz NQMGHCJRCQVTTO-UKRRQHHQSA-N 2 0 266.385 1.372 10 0 CDAERP COC(=O)[C@H]1[C@H](C[NH2+]C2CCC([NH+](C)C)CC2)C1(F)F ZINC000895034280 619212067 /nfs/dbraw/zinc/21/20/67/619212067.db2.gz QOOIWFHAOVJEOQ-MMVSWEMESA-N 2 0 290.354 1.503 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccnnc1 ZINC000925240840 620609893 /nfs/dbraw/zinc/60/98/93/620609893.db2.gz LHRGNUZCFHQIPX-TZMCWYRMSA-N 2 0 266.389 1.484 10 0 CDAERP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CC[NH+]2C(C)(C)C)C1 ZINC000897825773 621148336 /nfs/dbraw/zinc/14/83/36/621148336.db2.gz OFXHHBONNBVBEP-XQQFMLRXSA-N 2 0 265.401 1.022 10 0 CDAERP C1CC1[C@@H]1COC[C@H]1[NH2+]C1CCN(C2CC2)CC1 ZINC000898380747 621529690 /nfs/dbraw/zinc/52/96/90/621529690.db2.gz UQXYVVGVRDNBLY-LSDHHAIUSA-N 2 0 250.386 1.628 10 0 CDAERP CSC1(CNC(=[NH2+])N[C@@H](C)C2CC2)CC[NH+](C)CC1 ZINC000899272210 622137375 /nfs/dbraw/zinc/13/73/75/622137375.db2.gz CPLVVDPVADBZLW-NSHDSACASA-N 2 0 284.473 1.726 10 0 CDAERP C[NH+](C)CCCNC(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000899920458 622531130 /nfs/dbraw/zinc/53/11/30/622531130.db2.gz PGNRIPWNAISRPL-UHFFFAOYSA-N 2 0 288.395 1.972 10 0 CDAERP O=C(NCC[N@@H+]1CCc2ccccc2C1)C12CC[NH+](CC1)C2 ZINC000900116787 622702541 /nfs/dbraw/zinc/70/25/41/622702541.db2.gz XRDCENNWLKDUII-UHFFFAOYSA-N 2 0 299.418 1.257 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)C12CC[NH+](CC1)C2 ZINC000900209736 622804921 /nfs/dbraw/zinc/80/49/21/622804921.db2.gz VEKFQHLNPPTKOS-ZDUSSCGKSA-N 2 0 265.401 1.073 10 0 CDAERP CC(C)(C)[NH+]1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC000900286347 622854847 /nfs/dbraw/zinc/85/48/47/622854847.db2.gz HZTVDKNGESMJPU-UHFFFAOYSA-N 2 0 279.428 1.461 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)[NH+](C)C1CC1 ZINC000900544905 623231853 /nfs/dbraw/zinc/23/18/53/623231853.db2.gz WHYXYLFWCIYTNK-YUELXQCFSA-N 2 0 279.428 1.602 10 0 CDAERP C[NH+](C)CCC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000900695626 623354183 /nfs/dbraw/zinc/35/41/83/623354183.db2.gz SLSRBPMUBGSYMF-UHFFFAOYSA-N 2 0 279.428 1.273 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)/C=C(/C)CN1CCOCC1 ZINC000900696379 623356142 /nfs/dbraw/zinc/35/61/42/623356142.db2.gz XEXZRGSLOWAXPB-SZGZABIGSA-N 2 0 297.443 1.111 10 0 CDAERP CC[NH+](CC)CCCCNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC000900689517 623376630 /nfs/dbraw/zinc/37/66/30/623376630.db2.gz SODLVDUESXAAMS-INIZCTEOSA-N 2 0 281.444 1.711 10 0 CDAERP C[N@@H+]1CCN(C(=O)C23CC[NH+](CC2)C3)C2(CCCCC2)C1 ZINC000900903474 623634520 /nfs/dbraw/zinc/63/45/20/623634520.db2.gz IOEURKZWJUEDEZ-UHFFFAOYSA-N 2 0 291.439 1.559 10 0 CDAERP C(COC1CCSCC1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000902522864 624926000 /nfs/dbraw/zinc/92/60/00/624926000.db2.gz YWBBOGNQRSZJHD-CYBMUJFWSA-N 2 0 270.442 1.773 10 0 CDAERP C(C1CC1)[NH+]1CCC([NH2+][C@@H]2CCO[C@@]23CCOC3)CC1 ZINC000903074658 625838023 /nfs/dbraw/zinc/83/80/23/625838023.db2.gz OUCYPWVDHZJTML-HZPDHXFCSA-N 2 0 280.412 1.398 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000903439049 625992092 /nfs/dbraw/zinc/99/20/92/625992092.db2.gz CCCGGLMJCVTJFD-KGLIPLIRSA-N 2 0 252.402 1.735 10 0 CDAERP Cc1ccccc1C[NH+]1CCN(C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903440851 625992992 /nfs/dbraw/zinc/99/29/92/625992992.db2.gz FMXIUIMVDPIGBD-AEFFLSMTSA-N 2 0 287.451 1.968 10 0 CDAERP CCC(CC)(C[NH2+]C[C@@H]1CC[C@H]([NH3+])C1)C(=O)OC ZINC000903459547 625994966 /nfs/dbraw/zinc/99/49/66/625994966.db2.gz VUCMOTOQMHELJI-NEPJUHHUSA-N 2 0 256.390 1.683 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](CCCO)Cc1ccccc1 ZINC000903460865 625995776 /nfs/dbraw/zinc/99/57/76/625995776.db2.gz KLLFGPGFWMASSM-ZBFHGGJFSA-N 2 0 262.397 1.727 10 0 CDAERP Cc1csc(N2CC[NH+](C[C@@H]3CC[C@H]([NH3+])C3)CC2)n1 ZINC000903441869 625996592 /nfs/dbraw/zinc/99/65/92/625996592.db2.gz CSLLDBWOADCVSO-OLZOCXBDSA-N 2 0 280.441 1.701 10 0 CDAERP CCOC(=O)CC1CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903454344 626001633 /nfs/dbraw/zinc/00/16/33/626001633.db2.gz BDNQYUPSNFVWMP-OCCSQVGLSA-N 2 0 268.401 1.507 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000903474222 626004742 /nfs/dbraw/zinc/00/47/42/626004742.db2.gz JHRREHZUIJELKG-NOOOWODRSA-N 2 0 279.350 1.301 10 0 CDAERP Cn1cc(C2C[C@H]3CC[C@@H](C2)N3C[C@H]2CCC[NH2+]2)cn1 ZINC000903481974 626006130 /nfs/dbraw/zinc/00/61/30/626006130.db2.gz SHIKNJUEZOMZQZ-SJFVDLKVSA-N 2 0 274.412 1.883 10 0 CDAERP CC[NH+](CC)CCCN[C@H]1CC[NH2+]C12CCCC2 ZINC000903484040 626007239 /nfs/dbraw/zinc/00/72/39/626007239.db2.gz OIXLQPUQGZJZIJ-AWEZNQCLSA-N 2 0 253.434 1.983 10 0 CDAERP C[C@@H]1C[N@@H+]([C@H]2CCN(c3ccccc3)C2=O)C[C@H]1CC[NH3+] ZINC000903496085 626011811 /nfs/dbraw/zinc/01/18/11/626011811.db2.gz DZRGSPZSUQDHNX-FMKPAKJESA-N 2 0 287.407 1.709 10 0 CDAERP CC[N@H+](C[C@@H](C[NH3+])Cc1cnn(C)c1C)C[C@H]1CCCO1 ZINC000903886630 626133387 /nfs/dbraw/zinc/13/33/87/626133387.db2.gz SBGSUYLFPVGZRK-GDBMZVCRSA-N 2 0 294.443 1.347 10 0 CDAERP C[C@H](C(=O)NC(C)(C)C)[N@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903915094 626135484 /nfs/dbraw/zinc/13/54/84/626135484.db2.gz YBQGVXUXMAFXSQ-RLAWYHOSSA-N 2 0 281.444 1.752 10 0 CDAERP CSC[C@@H]1CCC[N@@H+]1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903897284 626137098 /nfs/dbraw/zinc/13/70/98/626137098.db2.gz GSMWYTDWVKAFNL-STQMWFEESA-N 2 0 295.456 1.530 10 0 CDAERP CC(C)OC(=O)[C@H](C)[N@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903898469 626137384 /nfs/dbraw/zinc/13/73/84/626137384.db2.gz NIHJFVBNFAMJBD-FUDCBSFHSA-N 2 0 268.401 1.789 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[NH2+]C[C@@H]2CCCCO2)cnn1C ZINC000903926385 626149369 /nfs/dbraw/zinc/14/93/69/626149369.db2.gz LQNXPCCCEQBGEA-HIFRSBDPSA-N 2 0 280.416 1.005 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCC[C@@H](CCF)C2)cnn1C ZINC000903932756 626152276 /nfs/dbraw/zinc/15/22/76/626152276.db2.gz GGLNHBDJENTAOK-LSDHHAIUSA-N 2 0 296.434 1.918 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)cnn1C ZINC000903933221 626153144 /nfs/dbraw/zinc/15/31/44/626153144.db2.gz MKADGKKPRBLYLX-IPYPFGDCSA-N 2 0 294.443 1.345 10 0 CDAERP c1nnn([C@H]2CCC[NH2+]C2)c1C[NH2+][C@H]1CCCC12CC2 ZINC000903935425 626153699 /nfs/dbraw/zinc/15/36/99/626153699.db2.gz PIZQCDMVAJKYDL-JSGCOSHPSA-N 2 0 275.400 1.625 10 0 CDAERP CCC1([NH+]2CCC2)CCN(C[C@@H]([NH3+])CC(F)F)CC1 ZINC000903954042 626165973 /nfs/dbraw/zinc/16/59/73/626165973.db2.gz OOKDYXKDQPZNDD-LBPRGKRZSA-N 2 0 275.387 1.919 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)cnn1C ZINC000903954105 626166074 /nfs/dbraw/zinc/16/60/74/626166074.db2.gz QDLCTIHYZUZKAB-YUELXQCFSA-N 2 0 294.468 1.141 10 0 CDAERP CCCn1nc(C)c(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)c1C ZINC000903964583 626171387 /nfs/dbraw/zinc/17/13/87/626171387.db2.gz LRSUITQFQCUUQE-RISCZKNCSA-N 2 0 264.417 1.855 10 0 CDAERP CC(C)C[C@@H]([NH3+])CN[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903969277 626172607 /nfs/dbraw/zinc/17/26/07/626172607.db2.gz FAPJIMOYEKPVIH-ZIAGYGMSSA-N 2 0 269.433 1.108 10 0 CDAERP C[NH+](C)CCOc1ccc(CN2C[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000903984546 626173700 /nfs/dbraw/zinc/17/37/00/626173700.db2.gz HKKHMGHJQVRBPI-MRXNPFEDSA-N 2 0 291.439 1.796 10 0 CDAERP C([NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1)[C@]12C[C@H]1C[NH2+]C2 ZINC000904417087 626286698 /nfs/dbraw/zinc/28/66/98/626286698.db2.gz ZOQAVZDUUUCIJO-HYVNUMGLSA-N 3 0 277.456 1.698 10 0 CDAERP c1cc(-c2nc(CC3CC[NH2+]CC3)no2)cc2c1C[NH2+]C2 ZINC000905319140 626747095 /nfs/dbraw/zinc/74/70/95/626747095.db2.gz SZQGCRACJICPDG-UHFFFAOYSA-N 2 0 284.363 1.882 10 0 CDAERP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000907852379 627859624 /nfs/dbraw/zinc/85/96/24/627859624.db2.gz WDJCZKHWEKYBPP-CYBMUJFWSA-N 2 0 279.428 1.319 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000907874382 627891173 /nfs/dbraw/zinc/89/11/73/627891173.db2.gz GQHNCVLPOCSCLN-ILXRZTDVSA-N 2 0 281.444 1.850 10 0 CDAERP C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC000912803465 630224818 /nfs/dbraw/zinc/22/48/18/630224818.db2.gz PJGMNLFZULQHMW-GJZGRUSLSA-N 2 0 293.455 1.661 10 0 CDAERP C(C1CC1)[NH+]1CCC([NH2+][C@H]2COC[C@H]2C2CC2)CC1 ZINC000914435988 631470359 /nfs/dbraw/zinc/47/03/59/631470359.db2.gz NHNSKBOHOFXQBX-HOTGVXAUSA-N 2 0 264.413 1.875 10 0 CDAERP C(C1CC1)[NH+]1CCC([NH2+][C@H]2COC[C@@H]2C2CC2)CC1 ZINC000914435987 631470580 /nfs/dbraw/zinc/47/05/80/631470580.db2.gz NHNSKBOHOFXQBX-CVEARBPZSA-N 2 0 264.413 1.875 10 0 CDAERP CCC[NH+](CCC)CCCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000916554181 632013666 /nfs/dbraw/zinc/01/36/66/632013666.db2.gz FGLHUVLEDWBSRS-CABCVRRESA-N 2 0 298.475 1.890 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@@H]1CCC[NH+](C)C1 ZINC000918718858 632428451 /nfs/dbraw/zinc/42/84/51/632428451.db2.gz HUVWKLKHLVHUFJ-CHWSQXEVSA-N 2 0 284.473 1.029 10 0 CDAERP CCC[NH2+]CCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001699545510 1158455477 /nfs/dbraw/zinc/45/54/77/1158455477.db2.gz SUBFTOCBPOEPKH-CYBMUJFWSA-N 2 0 255.406 1.176 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001691398699 1159051639 /nfs/dbraw/zinc/05/16/39/1159051639.db2.gz HRNIMTFGIJWDTN-ZIAGYGMSSA-N 2 0 269.433 1.517 10 0 CDAERP CCC[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001691447501 1159305431 /nfs/dbraw/zinc/30/54/31/1159305431.db2.gz FHQFVPZVSVTFGN-STQMWFEESA-N 2 0 255.406 1.175 10 0 CDAERP CC(C)[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001670802845 1160128025 /nfs/dbraw/zinc/12/80/25/1160128025.db2.gz SYOKIXXOPORGNU-LBPRGKRZSA-N 2 0 255.406 1.219 10 0 CDAERP CC[NH+](CC)C1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000384462496 1160309060 /nfs/dbraw/zinc/30/90/60/1160309060.db2.gz LACCTWQSQXNIQA-HNNXBMFYSA-N 2 0 253.434 1.792 10 0 CDAERP Cc1c(C(=O)N2CCC[C@@H]2C[NH+](C)C)ccc2c[nH+]cn21 ZINC001771732567 1160350712 /nfs/dbraw/zinc/35/07/12/1160350712.db2.gz PDTGOJROWLMIQE-CQSZACIVSA-N 2 0 286.379 1.809 10 0 CDAERP CCC[N@@H+]1CC[C@]2(NC(=O)[C@H](CC)[NH+](C)C)CCC[C@H]12 ZINC001410890131 1161960607 /nfs/dbraw/zinc/96/06/07/1161960607.db2.gz DSAKSDXTOXCPJV-OFQRWUPVSA-N 2 0 281.444 1.850 10 0 CDAERP CC[C@H]1CCN(C(=[NH2+])NC[C@@H](C)[NH+]2CCCC2)C1 ZINC000864453873 1164545801 /nfs/dbraw/zinc/54/58/01/1164545801.db2.gz QMUYTGRZEZDXSS-OLZOCXBDSA-N 2 0 252.406 1.727 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000866709706 1164813515 /nfs/dbraw/zinc/81/35/15/1164813515.db2.gz ZDNRKRQLGDQMQK-UXLLHSPISA-N 2 0 295.471 1.547 10 0 CDAERP CC1(C)[C@@H]([NH3+])c2ccccc2N1C(=O)C[NH2+]C1CC1 ZINC000867988978 1164893979 /nfs/dbraw/zinc/89/39/79/1164893979.db2.gz YSESQUHQXMCYRM-AWEZNQCLSA-N 2 0 259.353 1.564 10 0 CDAERP O=C(CCC12CC(C1)C[NH2+]2)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000870936808 1165236523 /nfs/dbraw/zinc/23/65/23/1165236523.db2.gz PPWIIEZGTGHKKX-UHFFFAOYSA-N 2 0 285.391 1.803 10 0 CDAERP COc1coc(C[N@H+](C)CCCCCC[NH3+])cc1=O ZINC000872155049 1165388445 /nfs/dbraw/zinc/38/84/45/1165388445.db2.gz ANOIIPPRFWCSEQ-UHFFFAOYSA-N 2 0 268.357 1.599 10 0 CDAERP C[NH+](C)CC1CN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001627883607 1166020770 /nfs/dbraw/zinc/02/07/70/1166020770.db2.gz XUTSCEGSXZXWEU-KBPBESRZSA-N 2 0 267.417 1.127 10 0 CDAERP C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001640222576 1167007304 /nfs/dbraw/zinc/00/73/04/1167007304.db2.gz NEJTUXSTGLFDIX-AVGNSLFASA-N 2 0 255.406 1.173 10 0 CDAERP CCN1CC[C@H]1C(=O)NCCC[N@H+](C)CC(C)C ZINC001644416690 1167313697 /nfs/dbraw/zinc/31/36/97/1167313697.db2.gz QKZXEXUUMHKJAE-ZDUSSCGKSA-N 2 0 255.406 1.175 10 0 CDAERP CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001566533547 1168323024 /nfs/dbraw/zinc/32/30/24/1168323024.db2.gz GAWAUBYMBBWSLX-KGLIPLIRSA-N 2 0 269.433 1.706 10 0 CDAERP CC(C)COCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001566779033 1168416305 /nfs/dbraw/zinc/41/63/05/1168416305.db2.gz HCOFILATRUOCPO-HNNXBMFYSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001566842129 1168441094 /nfs/dbraw/zinc/44/10/94/1168441094.db2.gz NTIMDNULIYTOCX-ZNMIVQPWSA-N 2 0 281.444 1.776 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC001647243664 1168483948 /nfs/dbraw/zinc/48/39/48/1168483948.db2.gz NBIRQRNXVFBJFC-RRFJBIMHSA-N 2 0 279.428 1.352 10 0 CDAERP CC[NH+](CC)C1CCN(C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC001647251599 1168492032 /nfs/dbraw/zinc/49/20/32/1168492032.db2.gz BBHXTHDFZCAHCH-UHFFFAOYSA-N 2 0 296.459 1.631 10 0 CDAERP CC(C)CCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001567016838 1168511177 /nfs/dbraw/zinc/51/11/77/1168511177.db2.gz OFZJTEHDFHLRDY-RRFJBIMHSA-N 2 0 283.460 1.857 10 0 CDAERP C[C@H]1CC[C@@H](NC(=O)N2CC[NH+](C(C)(C)C)CC2)C[NH2+]1 ZINC001647321492 1168557873 /nfs/dbraw/zinc/55/78/73/1168557873.db2.gz SWFDVUGNGDXFPO-QWHCGFSZSA-N 2 0 282.432 1.253 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001567255051 1168642062 /nfs/dbraw/zinc/64/20/62/1168642062.db2.gz UAXZRKZHAKXVDC-OAHLLOKOSA-N 2 0 293.455 1.996 10 0 CDAERP CN(CC[NH2+]Cc1ccns1)C(=O)C[N@H+](C)C1CCC1 ZINC001567508736 1168821997 /nfs/dbraw/zinc/82/19/97/1168821997.db2.gz FFJVWULTKCYCQY-UHFFFAOYSA-N 2 0 296.440 1.175 10 0 CDAERP CN(CC[NH2+]CC1CCC1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001567516172 1168826418 /nfs/dbraw/zinc/82/64/18/1168826418.db2.gz KMPNDGHBUBOASI-JKSUJKDBSA-N 2 0 293.455 1.851 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001568150136 1169148246 /nfs/dbraw/zinc/14/82/46/1169148246.db2.gz TUZHMXZSMXIQBJ-JKSUJKDBSA-N 2 0 293.455 1.875 10 0 CDAERP CCC[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001568300523 1169232025 /nfs/dbraw/zinc/23/20/25/1169232025.db2.gz SDNRBVKDIIHDCP-OLZOCXBDSA-N 2 0 255.406 1.175 10 0 CDAERP C[N@@H+]1CCC[C@H](N2CC[NH+](CC3CCC(O)CC3)CC2)C1 ZINC001649889640 1169471351 /nfs/dbraw/zinc/47/13/51/1169471351.db2.gz UVSGMHSUBFVJFW-CGZBRXJRSA-N 2 0 295.471 1.249 10 0 CDAERP CC[C@H](C(=O)N(CC)CC[NH2+]C[C@@H]1CCCCO1)[NH+](C)C ZINC001568791637 1169476744 /nfs/dbraw/zinc/47/67/44/1169476744.db2.gz OUAVXXWZGGRELO-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CCCF ZINC001569061107 1169625081 /nfs/dbraw/zinc/62/50/81/1169625081.db2.gz WBQZQSBYWLFLSE-QWHCGFSZSA-N 2 0 273.396 1.315 10 0 CDAERP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]CC[C@H]1CCCO1)[NH+](C)C ZINC001569078811 1169632524 /nfs/dbraw/zinc/63/25/24/1169632524.db2.gz CJUMXHHYSODIGS-RRFJBIMHSA-N 2 0 299.459 1.236 10 0 CDAERP C[C@@H](C[NH2+]CCCF)NC(=O)CC[NH+]1CCCCC1 ZINC001569098701 1169644197 /nfs/dbraw/zinc/64/41/97/1169644197.db2.gz AXNCOXKVUKBUJY-ZDUSSCGKSA-N 2 0 273.396 1.316 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CCC2CC2)C1 ZINC001569854734 1170018328 /nfs/dbraw/zinc/01/83/28/1170018328.db2.gz FMTUZGITMUVTOR-ZBFHGGJFSA-N 2 0 295.471 1.811 10 0 CDAERP C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1[NH2+]CCCF ZINC001570351370 1170141220 /nfs/dbraw/zinc/14/12/20/1170141220.db2.gz FMNORBIEBXWTRG-STQMWFEESA-N 2 0 273.396 1.124 10 0 CDAERP C[NH+]1CCC(CC(=O)N[C@H]2CC[C@H](C[NH2+]CCF)C2)CC1 ZINC001571545237 1170471129 /nfs/dbraw/zinc/47/11/29/1170471129.db2.gz ZKNLNFBULJOAGP-GJZGRUSLSA-N 2 0 299.434 1.562 10 0 CDAERP c1c(C[NH2+]CCCC[NH+]2CCOCC2)nc2ccccn12 ZINC001656062413 1171758470 /nfs/dbraw/zinc/75/84/70/1171758470.db2.gz QGZWJTDUHXOBRC-UHFFFAOYSA-N 2 0 288.395 1.536 10 0 CDAERP CCOCC[C@@H](O)C[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001656574085 1171846407 /nfs/dbraw/zinc/84/64/07/1171846407.db2.gz OBURYBHECMYRCF-ZACQAIPSSA-N 2 0 296.455 1.582 10 0 CDAERP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3CCCC[C@@H]3O)C[C@@H]2C1 ZINC001659716859 1172131714 /nfs/dbraw/zinc/13/17/14/1172131714.db2.gz VHPOGCZPYGQWMN-KBXIAJHMSA-N 2 0 252.402 1.421 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001662561929 1172559707 /nfs/dbraw/zinc/55/97/07/1172559707.db2.gz YYUKOUJPPPHABZ-ZDUSSCGKSA-N 2 0 265.401 1.073 10 0 CDAERP C[C@@](C[NH2+]CCCF)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001666038270 1173103732 /nfs/dbraw/zinc/10/37/32/1173103732.db2.gz UZAXNZLXRVJOFC-HNNXBMFYSA-N 2 0 285.407 1.316 10 0 CDAERP C[C@H](C[NH2+]CCC(C)(C)C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001667054894 1173227889 /nfs/dbraw/zinc/22/78/89/1173227889.db2.gz UPAULVLGXAHCLC-ZIAGYGMSSA-N 2 0 283.460 1.811 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C)CC[NH2+]CC1CCC1)[NH+](C)C ZINC001668278473 1173391100 /nfs/dbraw/zinc/39/11/00/1173391100.db2.gz GTVDHVYEOHPZIR-OCCSQVGLSA-N 2 0 269.433 1.611 10 0 CDAERP CC[N@H+](C)C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001669833214 1173616711 /nfs/dbraw/zinc/61/67/11/1173616711.db2.gz PYUREVKOILMPPX-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP CCC[N@H+](C)CC(=O)NCC1C[NH+](CC2=CCCCC2)C1 ZINC001692346202 1175743693 /nfs/dbraw/zinc/74/36/93/1175743693.db2.gz YDUAARDECNGOSN-UHFFFAOYSA-N 2 0 293.455 1.877 10 0 CDAERP CC[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CCCF ZINC001698604844 1175868616 /nfs/dbraw/zinc/86/86/16/1175868616.db2.gz NCDKSFXFCLUBFM-CQSZACIVSA-N 2 0 299.434 1.706 10 0 CDAERP C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1C[NH2+]CCC1CC1 ZINC001698950511 1175993721 /nfs/dbraw/zinc/99/37/21/1175993721.db2.gz TWKHVJQWPCAKCO-GOEBONIOSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](C)C[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001699187459 1176131870 /nfs/dbraw/zinc/13/18/70/1176131870.db2.gz RKQJADKSVPLSJX-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H](C[NH2+]CC[C@H](C)F)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001699374150 1176330166 /nfs/dbraw/zinc/33/01/66/1176330166.db2.gz IYZCQXBAEPQQTE-QWHCGFSZSA-N 2 0 287.423 1.703 10 0 CDAERP CCCCC[N@H+](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001699466790 1176429593 /nfs/dbraw/zinc/42/95/93/1176429593.db2.gz CPGUZUIIJBGFEW-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)[NH2+]CCCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001699550532 1176471667 /nfs/dbraw/zinc/47/16/67/1176471667.db2.gz FYHPENWAJRVRMC-KBPBESRZSA-N 2 0 269.433 1.706 10 0 CDAERP CCC[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001699554531 1176472799 /nfs/dbraw/zinc/47/27/99/1176472799.db2.gz SKYMAOCXYXMYMY-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CCCCCF)CC2)CC[N@@H+]1C ZINC001699652132 1176549461 /nfs/dbraw/zinc/54/94/61/1176549461.db2.gz WLCLTTRZOSFLGM-ZIAGYGMSSA-N 2 0 299.434 1.705 10 0 CDAERP CCCC[NH2+]C[C@]1(C)CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001699848511 1176655599 /nfs/dbraw/zinc/65/55/99/1176655599.db2.gz PUFIQMCFBXHBPF-KRWDZBQOSA-N 2 0 295.471 1.957 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC2CC(C[NH2+]C/C=C\Cl)C2)C1 ZINC001700380591 1176886326 /nfs/dbraw/zinc/88/63/26/1176886326.db2.gz DNPVGZHGUGFAKV-FTMLYGMXSA-N 2 0 299.846 1.565 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](CCCOC)[C@H]1C ZINC001700891259 1177181095 /nfs/dbraw/zinc/18/10/95/1177181095.db2.gz ZNGOMGJXCIPQQS-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001707259263 1177984459 /nfs/dbraw/zinc/98/44/59/1177984459.db2.gz GNTARROIHQGKHY-MCIONIFRSA-N 2 0 269.433 1.563 10 0 CDAERP CC[C@H](F)C[N@H+](C)CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001707374173 1178002078 /nfs/dbraw/zinc/00/20/78/1178002078.db2.gz FJLYMYYUPGSYMD-GJZGRUSLSA-N 2 0 299.434 1.514 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]CCCO ZINC001707435014 1178042137 /nfs/dbraw/zinc/04/21/37/1178042137.db2.gz MVFVQBVYECCBMM-HUUCEWRRSA-N 2 0 299.459 1.068 10 0 CDAERP C[NH+]1CCC(CCNC(=O)[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000157228210 1178198705 /nfs/dbraw/zinc/19/87/05/1178198705.db2.gz UGLRBSGWNZEFQA-KBPBESRZSA-N 2 0 267.417 1.352 10 0 CDAERP CC(C)C[N@H+](CCCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001713049631 1178330872 /nfs/dbraw/zinc/33/08/72/1178330872.db2.gz PWOANRSUHCZZIP-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001713245646 1178450169 /nfs/dbraw/zinc/45/01/69/1178450169.db2.gz KEJILQWMNBQQHT-GJZGRUSLSA-N 2 0 299.434 1.659 10 0 CDAERP CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001713351994 1178514937 /nfs/dbraw/zinc/51/49/37/1178514937.db2.gz OYPOSPYPPMAGEV-HOTGVXAUSA-N 2 0 295.471 1.957 10 0 CDAERP CN(CC[NH2+]C/C=C/Cl)C(=O)C12CCC[NH+](CCC1)C2 ZINC001713604769 1178677404 /nfs/dbraw/zinc/67/74/04/1178677404.db2.gz WJMCWHHJPXZFNK-QPJJXVBHSA-N 2 0 299.846 1.663 10 0 CDAERP CCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[NH+]1C ZINC001713933856 1178859947 /nfs/dbraw/zinc/85/99/47/1178859947.db2.gz GTQLZROVOWNBGB-HRCADAONSA-N 2 0 293.455 1.946 10 0 CDAERP CCC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001713986722 1178909032 /nfs/dbraw/zinc/90/90/32/1178909032.db2.gz OMXWCINCNGWYAF-DZEZYYDTSA-N 2 0 293.455 1.875 10 0 CDAERP CC1CC[NH+](CC(=O)NC2(C[NH2+]CCF)CCCC2)CC1 ZINC001714145243 1178990532 /nfs/dbraw/zinc/99/05/32/1178990532.db2.gz VENDGLYYDKMUCI-UHFFFAOYSA-N 2 0 299.434 1.706 10 0 CDAERP CCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001714397792 1179122861 /nfs/dbraw/zinc/12/28/61/1179122861.db2.gz RMQBQLHIUZBPAY-KGLIPLIRSA-N 2 0 269.433 1.613 10 0 CDAERP C[NH+](C)CCC(=O)NCCC[C@H]1CCC[N@@H+]1CCF ZINC001714528483 1179182581 /nfs/dbraw/zinc/18/25/81/1179182581.db2.gz XVONLGANRALVIW-ZDUSSCGKSA-N 2 0 273.396 1.268 10 0 CDAERP C[C@@H](C[NH2+]CCC(F)(F)F)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001714566024 1179221637 /nfs/dbraw/zinc/22/16/37/1179221637.db2.gz VJIOHSJAIDHBRE-QWRGUYRKSA-N 2 0 295.349 1.470 10 0 CDAERP CCCC[NH2+]C[C@@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001714730657 1179363586 /nfs/dbraw/zinc/36/35/86/1179363586.db2.gz OIDOEBHVVYSJQH-CYBMUJFWSA-N 2 0 269.433 1.565 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CC[NH2+]C[C@H](C)OC)C1 ZINC001714749841 1179374696 /nfs/dbraw/zinc/37/46/96/1179374696.db2.gz RDTBZPXJBJSVIY-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001714991120 1179493511 /nfs/dbraw/zinc/49/35/11/1179493511.db2.gz YJAYOYOKLQQRNX-STQMWFEESA-N 2 0 253.390 1.023 10 0 CDAERP CC[NH2+]CCC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001715175780 1179570235 /nfs/dbraw/zinc/57/02/35/1179570235.db2.gz JXJZBEUEDFYQHH-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP COCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)C(C)C ZINC001715476023 1179676633 /nfs/dbraw/zinc/67/66/33/1179676633.db2.gz NOHKYXGXHGSZFU-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CCCF ZINC001715622160 1179738832 /nfs/dbraw/zinc/73/88/32/1179738832.db2.gz QRTBNYXNOQGHCV-CQSZACIVSA-N 2 0 287.423 1.418 10 0 CDAERP Cc1cccnc1C[NH2+]CC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001715678809 1179761660 /nfs/dbraw/zinc/76/16/60/1179761660.db2.gz MPHWZVMCAGBJNJ-CQSZACIVSA-N 2 0 292.427 1.326 10 0 CDAERP CCN(CC[NH2+]CC(C)C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001715739058 1179786495 /nfs/dbraw/zinc/78/64/95/1179786495.db2.gz PGBGUGBYWXZELS-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[NH2+]C[C@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001715987856 1179966122 /nfs/dbraw/zinc/96/61/22/1179966122.db2.gz NTJRSYBUWYXNFM-LBPRGKRZSA-N 2 0 287.367 1.385 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CCF ZINC001716074635 1180031985 /nfs/dbraw/zinc/03/19/85/1180031985.db2.gz BXUCYZJYNXRAIG-STQMWFEESA-N 2 0 273.396 1.171 10 0 CDAERP CCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001716138402 1180067762 /nfs/dbraw/zinc/06/77/62/1180067762.db2.gz DWWQSGPPXWNAEG-KBPBESRZSA-N 2 0 269.433 1.754 10 0 CDAERP CCN(CC[NH2+]C/C=C\Cl)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001716248998 1180119382 /nfs/dbraw/zinc/11/93/82/1180119382.db2.gz PEELMTNEFSQWSR-AGLBCWCQSA-N 2 0 287.835 1.519 10 0 CDAERP C[NH+](C)CC1(C(=O)NC/C=C/C[NH2+]CC2CC2)CC1 ZINC001716334995 1180159139 /nfs/dbraw/zinc/15/91/39/1180159139.db2.gz AUNXSORCGKXSTA-ONEGZZNKSA-N 2 0 265.401 1.000 10 0 CDAERP CC1CC(C[NH2+]CCCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001716586057 1180294455 /nfs/dbraw/zinc/29/44/55/1180294455.db2.gz WIZKLAZALNVZOH-YMAMQOFZSA-N 2 0 281.444 1.422 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C[NH2+]C/C=C\Cl)C1CC1)[NH+](C)C ZINC001716621311 1180310322 /nfs/dbraw/zinc/31/03/22/1180310322.db2.gz JULANOGIVQQNAT-AAMHTLBISA-N 2 0 287.835 1.564 10 0 CDAERP CCCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1CC ZINC001716637839 1180317445 /nfs/dbraw/zinc/31/74/45/1180317445.db2.gz TZSSVLVPFFUPDO-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)=CC[NH+]1CCC(C)(NC(=O)Cc2c[nH]cn2)CC1 ZINC001716798109 1180418826 /nfs/dbraw/zinc/41/88/26/1180418826.db2.gz IAZXWNCMPMINQL-UHFFFAOYSA-N 2 0 290.411 1.889 10 0 CDAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]CCC1CC1 ZINC001716990888 1180495276 /nfs/dbraw/zinc/49/52/76/1180495276.db2.gz QMALIKZEWZTPQK-ZFWWWQNUSA-N 2 0 281.444 1.422 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001717125108 1180538352 /nfs/dbraw/zinc/53/83/52/1180538352.db2.gz GFIZMLNXHUZGQV-RBSFLKMASA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CCO1 ZINC001717186212 1180564517 /nfs/dbraw/zinc/56/45/17/1180564517.db2.gz KYIRNLPAIZILOS-OAHLLOKOSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)OCCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001717285803 1180604016 /nfs/dbraw/zinc/60/40/16/1180604016.db2.gz KCPQDWGURPRMQX-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001717336243 1180621157 /nfs/dbraw/zinc/62/11/57/1180621157.db2.gz FATYCTAFPFUXKT-CABCVRRESA-N 2 0 281.444 1.873 10 0 CDAERP CCC[NH2+]CC(C)(C)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001717458651 1180680399 /nfs/dbraw/zinc/68/03/99/1180680399.db2.gz BESHYCQOYCXGNQ-CQSZACIVSA-N 2 0 283.460 1.812 10 0 CDAERP CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001717649355 1180773139 /nfs/dbraw/zinc/77/31/39/1180773139.db2.gz IJVLEEODNVXCGQ-KLHDSHLOSA-N 2 0 293.455 1.898 10 0 CDAERP CC[C@H](F)C[NH2+]CCC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001717692025 1180791629 /nfs/dbraw/zinc/79/16/29/1180791629.db2.gz OJLHMDCAKVWVJO-KBPBESRZSA-N 2 0 299.434 1.705 10 0 CDAERP COCCCC[NH2+][C@@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001717742681 1180820311 /nfs/dbraw/zinc/82/03/11/1180820311.db2.gz OOONUEOZIWTSDT-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@H]2CCCC[C@H]2C[NH2+]CCF)CC1 ZINC001722946790 1181498880 /nfs/dbraw/zinc/49/88/80/1181498880.db2.gz XFVNUMNAFSOIQM-KBPBESRZSA-N 2 0 299.434 1.562 10 0 CDAERP CCC/C=C/CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001723482717 1181574729 /nfs/dbraw/zinc/57/47/29/1181574729.db2.gz PAJMRHVMNKKTJI-DZEZYYDTSA-N 2 0 293.455 1.875 10 0 CDAERP CC[NH+]1CCC(C)(CNC(=O)CCCC[NH+](C)C)CC1 ZINC001724301523 1181660297 /nfs/dbraw/zinc/66/02/97/1181660297.db2.gz CLQSTDXYJIBNJP-UHFFFAOYSA-N 2 0 283.460 1.957 10 0 CDAERP CC[NH2+]CC1CC(NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001725070666 1181844334 /nfs/dbraw/zinc/84/43/34/1181844334.db2.gz KFWGOENVTLUHNO-JXQTWKCFSA-N 2 0 269.433 1.611 10 0 CDAERP CCCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[NH+]1CCCC1 ZINC001725476917 1182014669 /nfs/dbraw/zinc/01/46/69/1182014669.db2.gz QYEGZFQANMVCAZ-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CCCCC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001725575640 1182056238 /nfs/dbraw/zinc/05/62/38/1182056238.db2.gz PPBPALLQFBIDTF-LSDHHAIUSA-N 2 0 293.455 1.851 10 0 CDAERP COCCC[NH+]1CCC([C@H](C)NC(=O)CC[NH+](C)C)CC1 ZINC001725769656 1182126383 /nfs/dbraw/zinc/12/63/83/1182126383.db2.gz KLLCINOXSHSTBA-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)[N@H+](CCCNC(=O)CC[NH+](C)C)C1CC1 ZINC001731338773 1182326829 /nfs/dbraw/zinc/32/68/29/1182326829.db2.gz IYKMINXQZXCALB-UHFFFAOYSA-N 2 0 255.406 1.317 10 0 CDAERP CC(C)[NH+]1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001731350100 1182331933 /nfs/dbraw/zinc/33/19/33/1182331933.db2.gz YVRCHLORFBIYTG-UHFFFAOYSA-N 2 0 255.406 1.269 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1CC1CC1 ZINC001731744298 1182545554 /nfs/dbraw/zinc/54/55/54/1182545554.db2.gz GXQGWLXDZFCUIY-HOTGVXAUSA-N 2 0 293.455 1.851 10 0 CDAERP CCOCC[NH2+]CC1(NC(=O)Cc2c[nH]cn2)CCCC1 ZINC001732235846 1182874319 /nfs/dbraw/zinc/87/43/19/1182874319.db2.gz QKDVQDYJRRLWPI-UHFFFAOYSA-N 2 0 294.399 1.007 10 0 CDAERP CC[NH2+]C[C@](C)(NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001732247840 1182882632 /nfs/dbraw/zinc/88/26/32/1182882632.db2.gz MTRUDFFWIHDFJB-DOMZBBRYSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)[NH2+][C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C(C)C ZINC001732573260 1183015509 /nfs/dbraw/zinc/01/55/09/1183015509.db2.gz YWIZXUGZYYPIRP-KGLIPLIRSA-N 2 0 269.433 1.467 10 0 CDAERP CN(CC[N@H+](C)CC1CC1)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001732595325 1183036058 /nfs/dbraw/zinc/03/60/58/1183036058.db2.gz RRSXRBQBCNDAFB-CQSZACIVSA-N 2 0 267.417 1.128 10 0 CDAERP CC[NH2+]C/C=C\CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001732941705 1183193269 /nfs/dbraw/zinc/19/32/69/1183193269.db2.gz WHQSNAZNAGWFQW-WAYWQWQTSA-N 2 0 275.396 1.644 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001732999533 1183230097 /nfs/dbraw/zinc/23/00/97/1183230097.db2.gz CPVRLPUCEQVQRK-HNNXBMFYSA-N 2 0 293.455 1.923 10 0 CDAERP CC[NH2+]CCCN(C)C(=O)c1sccc1C[NH+](C)C ZINC001733108046 1183294033 /nfs/dbraw/zinc/29/40/33/1183294033.db2.gz KYPWTKAQWWRKEA-UHFFFAOYSA-N 2 0 283.441 1.881 10 0 CDAERP CC[C@@H](C)C[NH2+]C1(CNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001733265441 1183377153 /nfs/dbraw/zinc/37/71/53/1183377153.db2.gz XVXXPUPRWVACAZ-CYBMUJFWSA-N 2 0 269.433 1.611 10 0 CDAERP CCCC[NH2+]C[C@]1(C)CCN(C(=O)CCC[NH+](C)C)C1 ZINC001733434160 1183432657 /nfs/dbraw/zinc/43/26/57/1183432657.db2.gz FCEMIKZHUZJGAO-INIZCTEOSA-N 2 0 283.460 1.957 10 0 CDAERP CC[NH2+]CC[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001733675961 1183494315 /nfs/dbraw/zinc/49/43/15/1183494315.db2.gz JACKKLVGWFVHFV-CYBMUJFWSA-N 2 0 255.406 1.175 10 0 CDAERP CC(C)=CC[NH2+]CC[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001733679289 1183495033 /nfs/dbraw/zinc/49/50/33/1183495033.db2.gz XRIDWVBOQGBSGA-INIZCTEOSA-N 2 0 293.455 1.877 10 0 CDAERP C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1[NH2+]CCCF ZINC001733859880 1183552593 /nfs/dbraw/zinc/55/25/93/1183552593.db2.gz GGXLZTYWXMCMMS-LSDHHAIUSA-N 2 0 299.434 1.659 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H](C)[NH2+]CC1CC1 ZINC001733998179 1183606938 /nfs/dbraw/zinc/60/69/38/1183606938.db2.gz ASCMEISTMHCJKI-RYUDHWBXSA-N 2 0 255.406 1.221 10 0 CDAERP CC(C)[NH2+]CCC[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001734258307 1183706489 /nfs/dbraw/zinc/70/64/89/1183706489.db2.gz CIXMWDWPLKQZNC-KGLIPLIRSA-N 2 0 269.433 1.611 10 0 CDAERP CC[C@H](F)C[N@H+]1CC=C(CNC(=O)C[NH+](C)C(C)C)CC1 ZINC001734635935 1183854907 /nfs/dbraw/zinc/85/49/07/1183854907.db2.gz BMYVDRSXTJPGRP-HNNXBMFYSA-N 2 0 299.434 1.823 10 0 CDAERP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000438914606 1186801894 /nfs/dbraw/zinc/80/18/94/1186801894.db2.gz VCWSQXIGVOROKG-PWNZVWSESA-N 2 0 279.428 1.316 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000394514980 1187290044 /nfs/dbraw/zinc/29/00/44/1187290044.db2.gz CDUHJBSUSQZJKP-ZIAGYGMSSA-N 2 0 265.401 1.201 10 0 CDAERP CCc1cnc(C[NH2+]CCCN2CC[NH+](C)CC2)s1 ZINC000394942419 1187290919 /nfs/dbraw/zinc/29/09/19/1187290919.db2.gz YSMSLWZWIWYTKA-UHFFFAOYSA-N 2 0 282.457 1.433 10 0 CDAERP C[C@@H]1CC[C@@H]([NH2+]CCCC[NH+](C)C)[C@H](n2cncn2)C1 ZINC000340466906 1164325354 /nfs/dbraw/zinc/32/53/54/1164325354.db2.gz FKIZAJVVNHGXLK-RBSFLKMASA-N 2 0 279.432 1.939 10 0 CDAERP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711362047 728767562 /nfs/dbraw/zinc/76/75/62/728767562.db2.gz SJXRBOJFXFKWGZ-CHWSQXEVSA-N 2 0 267.417 1.032 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@H](c2cccnc2)C2CCC2)CC1 ZINC000925810693 728814317 /nfs/dbraw/zinc/81/43/17/728814317.db2.gz FLAYBZBEJVPRGX-KRWDZBQOSA-N 2 0 288.439 1.936 10 0 CDAERP C[N@H+](CCCCCC[NH3+])C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724594301 728827039 /nfs/dbraw/zinc/82/70/39/728827039.db2.gz MTLIGUBETOXQNC-RDBSUJKOSA-N 2 0 256.390 1.241 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](C[C@@H](O)Cc1ccccc1)C2 ZINC000923408856 728832918 /nfs/dbraw/zinc/83/29/18/728832918.db2.gz GUFVZSZRRUEERV-YESZJQIVSA-N 2 0 274.408 1.521 10 0 CDAERP CC(C)OC(=O)N1CCC([NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000817910885 728837644 /nfs/dbraw/zinc/83/76/44/728837644.db2.gz DRFYXNCALLCAOY-DZGCQCFKSA-N 2 0 297.443 1.974 10 0 CDAERP OCC1([NH2+]CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCC1 ZINC000923386614 728848968 /nfs/dbraw/zinc/84/89/68/728848968.db2.gz COIIGLGHTFBNRK-AGUYFDCRSA-N 2 0 252.402 1.802 10 0 CDAERP Cc1cc([C@H]([NH3+])CC(=O)N[C@H](C)[C@@H](C)[NH3+])cc(Cl)n1 ZINC000834820799 728874754 /nfs/dbraw/zinc/87/47/54/728874754.db2.gz DLXAJDBZXLWHPI-FXPVBKGRSA-N 2 0 284.791 1.285 10 0 CDAERP CN1C[C@@H](CC[NH2+][C@@H]2CC[NH2+]C23CCCC3)CC1=O ZINC000925814211 728875646 /nfs/dbraw/zinc/87/56/46/728875646.db2.gz YSCBIEXZCSPNDC-QWHCGFSZSA-N 2 0 265.401 1.119 10 0 CDAERP CC1(O)CCC([NH2+]C[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000703515398 728877238 /nfs/dbraw/zinc/87/72/38/728877238.db2.gz PLGLAJQFSXODPC-SLTAFYQDSA-N 2 0 270.417 1.116 10 0 CDAERP CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261991234 728881844 /nfs/dbraw/zinc/88/18/44/728881844.db2.gz SJIDAVMEKLDGLW-HZSPNIEDSA-N 2 0 284.400 1.029 10 0 CDAERP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H]1c2ccccc2CN1C ZINC000870979452 728891378 /nfs/dbraw/zinc/89/13/78/728891378.db2.gz LQCNRSSQHNAFNY-CQDKDKBSSA-N 2 0 275.396 1.663 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872288016 728894399 /nfs/dbraw/zinc/89/43/99/728894399.db2.gz RVKCIWXEKDWDHQ-NDBYEHHHSA-N 2 0 253.390 1.008 10 0 CDAERP [NH3+]CCCCCCC[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923451392 728894843 /nfs/dbraw/zinc/89/48/43/728894843.db2.gz NIYQBMBJSOBVPT-HNNXBMFYSA-N 3 0 283.460 1.725 10 0 CDAERP Cc1cc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)n(C)n1 ZINC000925668563 728911663 /nfs/dbraw/zinc/91/16/63/728911663.db2.gz XXNDNFJPPKPDMY-NWDGAFQWSA-N 2 0 250.390 1.724 10 0 CDAERP CCOC(=O)N1CCC([NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000863481278 728926103 /nfs/dbraw/zinc/92/61/03/728926103.db2.gz AUPNWZMHHKDFKG-ZDUSSCGKSA-N 2 0 281.400 1.482 10 0 CDAERP C[C@H]1CC[C@@H](NC(=O)NCCCCCCC[NH+](C)C)C[NH2+]1 ZINC000861566440 728927526 /nfs/dbraw/zinc/92/75/26/728927526.db2.gz LGGIYCHALVRMJT-LSDHHAIUSA-N 2 0 298.475 1.938 10 0 CDAERP Cc1cc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)nn1C ZINC000922684969 728378690 /nfs/dbraw/zinc/37/86/90/728378690.db2.gz DOEQYDQDDIGNIC-UKRRQHHQSA-N 2 0 262.401 1.487 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)CCCCCC[NH3+] ZINC000237677603 728386448 /nfs/dbraw/zinc/38/64/48/728386448.db2.gz PGPZAUOLJMWLMV-CQSZACIVSA-N 2 0 269.433 1.886 10 0 CDAERP C[N@H+](C[C@H](O)CC1CCCC1)C1(C[NH3+])CCOCC1 ZINC000725052727 728393112 /nfs/dbraw/zinc/39/31/12/728393112.db2.gz SLTWMNPCFBQWGL-CQSZACIVSA-N 2 0 270.417 1.367 10 0 CDAERP CC(C)C[C@H]1CN(C)CC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000923555715 728425935 /nfs/dbraw/zinc/42/59/35/728425935.db2.gz USLZYDNILWVMBA-ILXRZTDVSA-N 2 0 253.434 1.776 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H](O)Cc1cccc(F)c1 ZINC000926497683 728440367 /nfs/dbraw/zinc/44/03/67/728440367.db2.gz NMEAIVZIRMTGBU-IINVVDAPSA-N 2 0 292.398 1.659 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCCNC1=[NH+]CCCCN1 ZINC000849215633 728449696 /nfs/dbraw/zinc/44/96/96/728449696.db2.gz VKCJJVGGDVEWAG-CQSZACIVSA-N 2 0 266.433 1.970 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCC[C@H]1CCO ZINC000926226541 728458606 /nfs/dbraw/zinc/45/86/06/728458606.db2.gz VZZKPDDKLREBSV-UUWGUWTESA-N 2 0 252.402 1.467 10 0 CDAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](C[C@@H]1C[C@@H]3CCC[C@@H]3O1)CC2 ZINC000923445599 728470078 /nfs/dbraw/zinc/47/00/78/728470078.db2.gz KQQPMARCRXCMCJ-VGWMRTNUSA-N 2 0 294.439 1.774 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000925498042 728474402 /nfs/dbraw/zinc/47/44/02/728474402.db2.gz BCCGBIAICVLJFP-YKDOHLLJSA-N 2 0 274.408 1.696 10 0 CDAERP CCC1([NH+](C)C)CC[NH+](C2CCN(C(C)=O)CC2)CC1 ZINC000931472200 728535956 /nfs/dbraw/zinc/53/59/56/728535956.db2.gz RQDHTFWZZKSNTC-UHFFFAOYSA-N 2 0 281.444 1.804 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)C2CC2)[C@@H](C)C1 ZINC000838934434 728557991 /nfs/dbraw/zinc/55/79/91/728557991.db2.gz VRJLMVPNKVGEDM-BPUTZDHNSA-N 2 0 284.444 1.484 10 0 CDAERP CCC(O)(CC)C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925618843 728576166 /nfs/dbraw/zinc/57/61/66/728576166.db2.gz YOTKAPNNDZUEND-AGIUHOORSA-N 2 0 254.418 1.904 10 0 CDAERP O=C1O[C@H](C[NH2+][C@@H]2CCCSC2)CC12CC[NH2+]CC2 ZINC000925851951 728967836 /nfs/dbraw/zinc/96/78/36/728967836.db2.gz AYPHMECLPVHKGT-NEPJUHHUSA-N 2 0 284.425 1.157 10 0 CDAERP CC1(C)[C@H]([NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925724357 728980239 /nfs/dbraw/zinc/98/02/39/728980239.db2.gz AHLGEWAZYLEAEN-BRLSJQBJSA-N 2 0 276.424 1.776 10 0 CDAERP COC[C@H](C[N@H+](C)CCN(C)C1CC[NH+](C)CC1)C(C)C ZINC000930115052 729008772 /nfs/dbraw/zinc/00/87/72/729008772.db2.gz SDOOCKUHYCWQCA-INIZCTEOSA-N 2 0 299.503 1.863 10 0 CDAERP C[N@H+](C[C@@H]1CC[C@@H](C(F)(F)F)O1)C1CC[NH2+]CC1 ZINC000721446616 729009022 /nfs/dbraw/zinc/00/90/22/729009022.db2.gz RUMDGPQRHAYTDQ-QWRGUYRKSA-N 2 0 266.307 1.780 10 0 CDAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1ccno1)CC2 ZINC000923450002 729012003 /nfs/dbraw/zinc/01/20/03/729012003.db2.gz SGYJQQPMMNKFNQ-LBPRGKRZSA-N 2 0 251.330 1.004 10 0 CDAERP Cc1csc(C[C@@H]2CC[N@H+](CCOCC[NH3+])C2)n1 ZINC000923551070 729013384 /nfs/dbraw/zinc/01/33/84/729013384.db2.gz JFHCKJJSHHRRLS-LBPRGKRZSA-N 2 0 269.414 1.291 10 0 CDAERP O[C@H](CC[C@H](O)c1ccccc1)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000929312616 729035662 /nfs/dbraw/zinc/03/56/62/729035662.db2.gz LLRCGDAXMVCLIM-NXOAAHMSSA-N 2 0 290.407 1.012 10 0 CDAERP C[C@@H]1[C@H](NC(=O)N2CC[NH+](C)C(C)(C)CC2)CC[N@@H+]1C ZINC000925345286 729038161 /nfs/dbraw/zinc/03/81/61/729038161.db2.gz PVUSQJVAGLXDDX-CHWSQXEVSA-N 2 0 282.432 1.205 10 0 CDAERP CC(C)CCc1nc(CN2CC[NH2+]CC[NH2+]CC2)cs1 ZINC000923462503 729040720 /nfs/dbraw/zinc/04/07/20/729040720.db2.gz IZCGDIGQAOWAHP-UHFFFAOYSA-N 2 0 296.484 1.727 10 0 CDAERP C[NH+](C)C1(C)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000864082548 729051931 /nfs/dbraw/zinc/05/19/31/729051931.db2.gz WLNAYDGUPNGBSP-UHFFFAOYSA-N 2 0 265.401 1.025 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000713054151 729055239 /nfs/dbraw/zinc/05/52/39/729055239.db2.gz XZNDTVIZLPXFQH-MJBXVCDLSA-N 2 0 281.444 1.739 10 0 CDAERP CC(C)O[C@]1(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)CCOC1 ZINC000722357543 729066223 /nfs/dbraw/zinc/06/62/23/729066223.db2.gz WSUMUVPCIDNOHA-HOCLYGCPSA-N 2 0 284.444 1.890 10 0 CDAERP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCOCC(F)(F)F)C2 ZINC000709842864 729169893 /nfs/dbraw/zinc/16/98/93/729169893.db2.gz MPERAHYUGGVUFN-GUBZILKMSA-N 2 0 252.280 1.377 10 0 CDAERP C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000720902659 729186894 /nfs/dbraw/zinc/18/68/94/729186894.db2.gz VAZDVLAHMJILID-SYQHCUMBSA-N 2 0 265.401 1.199 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000861602597 729187350 /nfs/dbraw/zinc/18/73/50/729187350.db2.gz LBUCZEPPXWNRLJ-YIYPIFLZSA-N 2 0 282.432 1.299 10 0 CDAERP CC(C)(C)S(=O)(=O)CC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925597137 729191662 /nfs/dbraw/zinc/19/16/62/729191662.db2.gz GTMPMFUQSVDQPU-VXGBXAGGSA-N 2 0 290.473 1.695 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000711241453 729198882 /nfs/dbraw/zinc/19/88/82/729198882.db2.gz WPLGHAWQBLCQAN-CQSZACIVSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@H](C[C@](C)(O)CC)[NH2+]C[C@H](C)N1CC[NH+](CC)CC1 ZINC000924672595 729227782 /nfs/dbraw/zinc/22/77/82/729227782.db2.gz UGZQQZPFHNWRJH-GVDBMIGSSA-N 2 0 299.503 1.932 10 0 CDAERP C[NH+](C)C1(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CCC1 ZINC000855165712 729260179 /nfs/dbraw/zinc/26/01/79/729260179.db2.gz YXDQVQLLPOIYTF-GFCCVEGCSA-N 2 0 267.417 1.460 10 0 CDAERP c1nnnn1CC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000878296071 729269009 /nfs/dbraw/zinc/26/90/09/729269009.db2.gz LHHNEHOUVIWZFA-UHFFFAOYSA-N 2 0 292.431 1.261 10 0 CDAERP CC[C@@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)C[C@H](C)[NH2+]1 ZINC000856408160 729288015 /nfs/dbraw/zinc/28/80/15/729288015.db2.gz GVQNQGBQSBKGCL-GXTWGEPZSA-N 2 0 279.428 1.460 10 0 CDAERP CC1(C)C[C@@H]([NH2+]CCO[C@H]2CC2(F)F)C[C@@H]([NH3+])C1 ZINC000925707970 729292598 /nfs/dbraw/zinc/29/25/98/729292598.db2.gz AOWQHMCXCDMDAK-VWYCJHECSA-N 2 0 262.344 1.906 10 0 CDAERP [NH3+][C@H]1C[C@@H](NC2CC[NH+](CC3CC3)CC2)C12CCC2 ZINC000925475509 729315442 /nfs/dbraw/zinc/31/54/42/729315442.db2.gz URXCSJIBSNAHKE-LSDHHAIUSA-N 2 0 263.429 1.720 10 0 CDAERP O=C1C[C@H](N[C@H]2CC[NH2+]C23CCCC3)CN1C1CC1 ZINC000925575847 729334746 /nfs/dbraw/zinc/33/47/46/729334746.db2.gz HWYCZRUMIIQRMH-AAEUAGOBSA-N 2 0 263.385 1.014 10 0 CDAERP CC(=O)NCCCCC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000929638023 729337007 /nfs/dbraw/zinc/33/70/07/729337007.db2.gz UDQOLNOSKYSGMJ-AWEZNQCLSA-N 2 0 255.406 1.176 10 0 CDAERP C(CC[NH2+][C@H]1CNCCOC1)CCC1CC[NH2+]CC1 ZINC000925807437 729338683 /nfs/dbraw/zinc/33/86/83/729338683.db2.gz JRPIRPAPFFTQNT-HNNXBMFYSA-N 2 0 269.433 1.124 10 0 CDAERP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000925011051 729353745 /nfs/dbraw/zinc/35/37/45/729353745.db2.gz PJBRLJSXZJTUAV-KKUMJFAQSA-N 2 0 254.418 1.979 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(C)CCOCC1 ZINC000925516550 729358586 /nfs/dbraw/zinc/35/85/86/729358586.db2.gz VGZXWYNCEYWZKX-PBWFPOADSA-N 2 0 252.402 1.733 10 0 CDAERP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1cccnc1-n1ccnc1 ZINC000841096532 729361959 /nfs/dbraw/zinc/36/19/59/729361959.db2.gz XBPSZMGGAJMRKG-UKRRQHHQSA-N 2 0 285.395 1.888 10 0 CDAERP C[C@H](N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1nncn1C ZINC000925490309 729379123 /nfs/dbraw/zinc/37/91/23/729379123.db2.gz NRHFYJNMZHIQGP-HBNTYKKESA-N 2 0 251.378 1.372 10 0 CDAERP CC[C@@H]([NH2+]CC1(C2(O)CCOCC2)CC1)[C@@H]1CCC[NH2+]1 ZINC000925826605 729380048 /nfs/dbraw/zinc/38/00/48/729380048.db2.gz OAJOCOOWVMFWAV-KGLIPLIRSA-N 2 0 282.428 1.428 10 0 CDAERP C[N@@H+]1CC[C@@H]2CN([C@@H](C(=O)OC(C)(C)C)C3CC3)C[C@@H]2C1 ZINC000931441052 729381770 /nfs/dbraw/zinc/38/17/70/729381770.db2.gz BFFREOAFMWGKBP-QLFBSQMISA-N 2 0 294.439 1.990 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](CCCN2CCOCC2)C1 ZINC000866705847 729384906 /nfs/dbraw/zinc/38/49/06/729384906.db2.gz CPKOHLDBJFWUEN-MRXNPFEDSA-N 2 0 283.460 1.406 10 0 CDAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)CCC34CC(C3)C[NH2+]4)CC[C@@H]21 ZINC000870905949 729401518 /nfs/dbraw/zinc/40/15/18/729401518.db2.gz AZXFJDHTMZDEKN-DGNOSDGRSA-N 2 0 291.439 1.461 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925881666 729459914 /nfs/dbraw/zinc/45/99/14/729459914.db2.gz KNUFJQYFRFOMAT-YESZJQIVSA-N 3 0 291.439 1.389 10 0 CDAERP CN(CCC[NH2+]Cc1ccnc(F)c1)CC[NH+](C)C ZINC000858196782 729470715 /nfs/dbraw/zinc/47/07/15/729470715.db2.gz YEPNVSYDECDBSA-UHFFFAOYSA-N 2 0 268.380 1.194 10 0 CDAERP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000925734066 729482119 /nfs/dbraw/zinc/48/21/19/729482119.db2.gz MMWTYZIFLAGZEK-JVWICGRDSA-N 3 0 253.434 1.979 10 0 CDAERP NC(=O)C12CCC(CC1)[N@@H+]2Cc1ccc2c(c1)C[NH2+]CC2 ZINC000923529313 729483107 /nfs/dbraw/zinc/48/31/07/729483107.db2.gz CQEMLORRCSYAAE-UHFFFAOYSA-N 2 0 285.391 1.315 10 0 CDAERP C[C@H](CN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)[NH+](C)C ZINC000925496639 729491003 /nfs/dbraw/zinc/49/10/03/729491003.db2.gz RODXANQGCIQSRP-BPLDGKMQSA-N 2 0 253.434 1.694 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@@H](c2cccnc2)C2CCC2)CC1 ZINC000925810695 729500960 /nfs/dbraw/zinc/50/09/60/729500960.db2.gz FLAYBZBEJVPRGX-QGZVFWFLSA-N 2 0 288.439 1.936 10 0 CDAERP C[C@@H]1C[C@@H](C[N@@H+]2CCC3=C(CCC(=O)N3)C2)CC[NH2+]1 ZINC000849350849 729509237 /nfs/dbraw/zinc/50/92/37/729509237.db2.gz YSZVWXUPVMDHTD-NEPJUHHUSA-N 2 0 263.385 1.244 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](C[C@@H]2C[C@H]3COC[C@H]3O2)CC1 ZINC000929275208 729528883 /nfs/dbraw/zinc/52/88/83/729528883.db2.gz HHWAEPOSYBERSK-YESZJQIVSA-N 2 0 296.455 1.844 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000870994772 729533046 /nfs/dbraw/zinc/53/30/46/729533046.db2.gz UZEQLUNDPSKWCU-IUODEOHRSA-N 2 0 267.417 1.337 10 0 CDAERP CCc1noc([C@@H]2CC[C@H]([NH2+][C@H](CCC[NH3+])COC)C2)n1 ZINC000925874133 729590045 /nfs/dbraw/zinc/59/00/45/729590045.db2.gz WIWCUCDLHIOJEA-FRRDWIJNSA-N 2 0 296.415 1.612 10 0 CDAERP CCO[C@H]1C[C@@H]([NH2+]CCCCCN2CC[NH2+]CC2)C1(C)C ZINC000925844360 729592425 /nfs/dbraw/zinc/59/24/25/729592425.db2.gz KKJSOEDRQOUEMV-CVEARBPZSA-N 2 0 297.487 1.855 10 0 CDAERP CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H](C)[NH2+]1 ZINC000826679276 729600911 /nfs/dbraw/zinc/60/09/11/729600911.db2.gz ZIDXZPMHWONPEJ-MJBXVCDLSA-N 2 0 267.417 1.458 10 0 CDAERP COCC[N@@H+]1CCN(CC[NH+]2CCCC2)C(C)(C)C1 ZINC000844431193 729603135 /nfs/dbraw/zinc/60/31/35/729603135.db2.gz BEWTVOGTHHPJQT-UHFFFAOYSA-N 2 0 269.433 1.125 10 0 CDAERP CC1(C)[C@H](NC[C@]2(C)CCC[NH2+]C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925696932 729609585 /nfs/dbraw/zinc/60/95/85/729609585.db2.gz BSRWABNFKWQVBB-HLPPOEQASA-N 2 0 265.445 1.742 10 0 CDAERP CC[NH+](CC)CCN(CC(C)C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923320571 729627861 /nfs/dbraw/zinc/62/78/61/729627861.db2.gz AJIFMMNHAIQHPG-INIZCTEOSA-N 2 0 297.487 1.665 10 0 CDAERP CN1CC[C@H]([NH2+]CC[S@](=O)C(C)(C)C)CC1(C)C ZINC000858140633 729646148 /nfs/dbraw/zinc/64/61/48/729646148.db2.gz JMYJURCFLKGBAC-SGTLLEGYSA-N 2 0 274.474 1.996 10 0 CDAERP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000924632319 729653477 /nfs/dbraw/zinc/65/34/77/729653477.db2.gz MHTKTYWQYVKUBO-FOLVSLTJSA-N 2 0 283.460 1.273 10 0 CDAERP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1cccc(C[NH3+])c1 ZINC000094446697 729658503 /nfs/dbraw/zinc/65/85/03/729658503.db2.gz RWDCZTYNBBEIQP-XJKSGUPXSA-N 2 0 287.407 1.844 10 0 CDAERP C[N@@H+]1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CCC1(C)C ZINC000871156506 729659545 /nfs/dbraw/zinc/65/95/45/729659545.db2.gz CUBZULFPKJUMBT-UHFFFAOYSA-N 2 0 293.455 1.804 10 0 CDAERP COC(OC)[C@H](C)[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000079608403 729664736 /nfs/dbraw/zinc/66/47/36/729664736.db2.gz VGTASBVVRJAPOW-LBPRGKRZSA-N 2 0 275.352 1.969 10 0 CDAERP CS[C@H](CO)[C@@H](C)[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925611379 729669596 /nfs/dbraw/zinc/66/95/96/729669596.db2.gz LXYVKZYLBMAMBF-NJMOYASZSA-N 2 0 272.458 1.465 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@](C)(O)c1ccc(F)cc1 ZINC000817918763 729696350 /nfs/dbraw/zinc/69/63/50/729696350.db2.gz XGFIQGHEUPVIJQ-GJZGRUSLSA-N 2 0 284.375 1.377 10 0 CDAERP C1=C[C@@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)[C@H]2CO[C@@H]1C2 ZINC000925830620 729702316 /nfs/dbraw/zinc/70/23/16/729702316.db2.gz JSALHBQGVHJHDM-AYYATWNNSA-N 2 0 262.397 1.555 10 0 CDAERP C(C[N@@H+]1CCOC[C@H]1CC1CC1)[C@H]1CCC[NH2+]C1 ZINC000923554357 729738925 /nfs/dbraw/zinc/73/89/25/729738925.db2.gz NRVZLDLQONWPBL-HUUCEWRRSA-N 2 0 252.402 1.877 10 0 CDAERP COc1ccc(C[N@H+](C)C[C@H]2CC3(C[NH2+]C3)CO2)cc1C ZINC000923312227 729759258 /nfs/dbraw/zinc/75/92/58/729759258.db2.gz ISBMVFPEYYZGIS-OAHLLOKOSA-N 2 0 290.407 1.814 10 0 CDAERP CC[N@H+](C)C[C@H]1CCN(C(=O)CCC23CC(C2)C[NH2+]3)C1 ZINC000870895891 729796374 /nfs/dbraw/zinc/79/63/74/729796374.db2.gz JUFXJPZNWKMFSC-VQCLRJIVSA-N 2 0 279.428 1.319 10 0 CDAERP CCN(CC)C(=O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000796706026 729801319 /nfs/dbraw/zinc/80/13/19/729801319.db2.gz YADZKEIVEJHIGC-BFHYXJOUSA-N 2 0 267.417 1.317 10 0 CDAERP CCOC(=O)[C@@H]1C[C@H]1C[N@H+](C)CCC[NH+]1CCCC1 ZINC000930310284 729808197 /nfs/dbraw/zinc/80/81/97/729808197.db2.gz CUBLIPCKOFAHOO-UONOGXRCSA-N 2 0 268.401 1.603 10 0 CDAERP C[C@H]1C[C@H]1NC(=[NH2+])NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000864449890 729809446 /nfs/dbraw/zinc/80/94/46/729809446.db2.gz BSEGIFBGSIXISU-UMSGYPCISA-N 2 0 268.405 1.008 10 0 CDAERP C([C@@H]1CC[N@H+](C[C@@H]2CCC3(COC3)O2)C1)[NH+]1CCCC1 ZINC000929696667 729810618 /nfs/dbraw/zinc/81/06/18/729810618.db2.gz NZOZDGZHSLKPQA-GJZGRUSLSA-N 2 0 280.412 1.352 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000863542050 729810971 /nfs/dbraw/zinc/81/09/71/729810971.db2.gz DVJQBRRURCHQJC-JTQLQIEISA-N 2 0 257.765 1.622 10 0 CDAERP Cc1nc(CC[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)n[nH]1 ZINC000925631260 729812036 /nfs/dbraw/zinc/81/20/36/729812036.db2.gz GSMXPPWBLQQZDZ-GHMZBOCLSA-N 2 0 251.378 1.151 10 0 CDAERP COCC1([N@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)CCC1 ZINC000872158153 729817555 /nfs/dbraw/zinc/81/75/55/729817555.db2.gz XTSMIOIEAKNUFX-GFCCVEGCSA-N 2 0 254.374 1.008 10 0 CDAERP C[C@H]1C[C@H]([NH2+]C[C@]2(O)CCN(C)C2)CC(C)(C)C1 ZINC000708781816 729826150 /nfs/dbraw/zinc/82/61/50/729826150.db2.gz RMGQUWJTCVKOMH-KCQAQPDRSA-N 2 0 254.418 1.857 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925796450 729832468 /nfs/dbraw/zinc/83/24/68/729832468.db2.gz RKAHCKIPNKDRCM-ARILJUKYSA-N 3 0 265.445 1.598 10 0 CDAERP Cn1cncc1C[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714456039 729859561 /nfs/dbraw/zinc/85/95/61/729859561.db2.gz NQMBWEACXVVNSY-UHFFFAOYSA-N 2 0 250.390 1.617 10 0 CDAERP C[C@@H]1[NH2+]CCC[C@@H]1NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000925725054 729877507 /nfs/dbraw/zinc/87/75/07/729877507.db2.gz GLMNUJLHMWYJAG-IMJJTQAJSA-N 2 0 261.413 1.677 10 0 CDAERP C[C@@H]1CCN(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000867589288 729895878 /nfs/dbraw/zinc/89/58/78/729895878.db2.gz FLNCTSQZSSTIRS-RBSFLKMASA-N 2 0 296.459 1.119 10 0 CDAERP COCC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC1CCCC1 ZINC000849001837 729897194 /nfs/dbraw/zinc/89/71/94/729897194.db2.gz IZOPVGXVURUCMA-CYBMUJFWSA-N 2 0 268.405 1.154 10 0 CDAERP CC(C)OC(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000848719599 729922850 /nfs/dbraw/zinc/92/28/50/729922850.db2.gz LANUOSSWHSJAHA-TZMCWYRMSA-N 2 0 283.416 1.855 10 0 CDAERP C[C@@H]1CCC[N@H+](CCN[C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925549069 729930122 /nfs/dbraw/zinc/93/01/22/729930122.db2.gz FATOYZJEDLIPRD-HUUCEWRRSA-N 2 0 265.445 1.983 10 0 CDAERP CCn1nc(C)c([C@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)n1 ZINC000926573835 729940407 /nfs/dbraw/zinc/94/04/07/729940407.db2.gz QDNOILIDSJRXQQ-JSGCOSHPSA-N 2 0 279.432 1.989 10 0 CDAERP C[C@H]([NH2+]CC[C@@]1(O)CCOC1)c1cccc(C[NH+](C)C)c1 ZINC000926648504 729947713 /nfs/dbraw/zinc/94/77/13/729947713.db2.gz GROJOUSSCMSOHW-WMLDXEAASA-N 2 0 292.423 1.940 10 0 CDAERP C[N@H+](CCCC[NH2+][C@@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000925686070 729954376 /nfs/dbraw/zinc/95/43/76/729954376.db2.gz QYVVBIDKLJUQJB-CQSZACIVSA-N 3 0 251.418 1.735 10 0 CDAERP C1CC1[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)CCO1 ZINC000925639038 729956110 /nfs/dbraw/zinc/95/61/10/729956110.db2.gz JIQKAXDJOVMASA-IHRRRGAJSA-N 2 0 250.386 1.818 10 0 CDAERP C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1CC[NH3+] ZINC000723893014 729956271 /nfs/dbraw/zinc/95/62/71/729956271.db2.gz VMTJRVIPVGBGEW-BXUZGUMPSA-N 2 0 261.369 1.202 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868184945 729959210 /nfs/dbraw/zinc/95/92/10/729959210.db2.gz HOVQZPPMKJITHC-BYCMXARLSA-N 2 0 290.411 1.963 10 0 CDAERP CC(C)([NH3+])Cc1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000843227223 729963219 /nfs/dbraw/zinc/96/32/19/729963219.db2.gz UEDXDLKTRMXYNT-UHFFFAOYSA-N 2 0 257.297 1.664 10 0 CDAERP CCCCCC[N@H+](C)CC(=O)N1CC2CC1(C[NH3+])C2 ZINC000852859550 729977195 /nfs/dbraw/zinc/97/71/95/729977195.db2.gz UXPLUEDXWCYQGY-UHFFFAOYSA-N 2 0 267.417 1.448 10 0 CDAERP CC[NH+]1CCC(CNC(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852861896 729977781 /nfs/dbraw/zinc/97/77/81/729977781.db2.gz MDHZPXWOGBFTQS-UHFFFAOYSA-N 2 0 265.401 1.144 10 0 CDAERP C(C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)O[C@@H]1CCOC1 ZINC000923359828 729978107 /nfs/dbraw/zinc/97/81/07/729978107.db2.gz VSQYRELNRCOKNV-BZUAXINKSA-N 2 0 282.428 1.504 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@@H]2CN3C[C@@H]2CCC3)CC1 ZINC000924955875 729980156 /nfs/dbraw/zinc/98/01/56/729980156.db2.gz RQELPLPMLPDBCP-JKSUJKDBSA-N 2 0 265.445 1.792 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)[C@@H](C)C1 ZINC000866449278 729980578 /nfs/dbraw/zinc/98/05/78/729980578.db2.gz ZUISGDVUWVNWGP-YGQDSGJMSA-N 2 0 264.413 1.730 10 0 CDAERP C[NH+]1CCN(CCC[NH2+][C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000924577593 729985461 /nfs/dbraw/zinc/98/54/61/729985461.db2.gz HVIOTQUPTQBFSL-IAGOWNOFSA-N 2 0 294.487 1.230 10 0 CDAERP C[C@@H]1C[N@H+](CCCN[C@@H]2C[C@@H]([NH3+])C23CCC3)CCCO1 ZINC000925651503 729997607 /nfs/dbraw/zinc/99/76/07/729997607.db2.gz DQKSYPIYYGZKIO-RBSFLKMASA-N 2 0 281.444 1.347 10 0 CDAERP Cc1nccn1-c1ncccc1NC(=O)CC[C@H](C)[NH3+] ZINC000070316129 730007787 /nfs/dbraw/zinc/00/77/87/730007787.db2.gz ZSUOTIHUIUPSLO-JTQLQIEISA-N 2 0 273.340 1.642 10 0 CDAERP COC1(OC)CC[C@@H]1NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000924959680 730014993 /nfs/dbraw/zinc/01/49/93/730014993.db2.gz LEYQUOCGNSRBKV-KBPBESRZSA-N 2 0 270.417 1.848 10 0 CDAERP C[C@@H]1[NH2+]CCC[C@@H]1Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000925596924 730038610 /nfs/dbraw/zinc/03/86/10/730038610.db2.gz VKYYQTFMDYHYDY-FZMZJTMJSA-N 2 0 257.341 1.820 10 0 CDAERP Cc1cc([C@H]([NH3+])CC(=O)N[C@@H](C[NH3+])C2CC2)cc(Cl)n1 ZINC000832785932 730043692 /nfs/dbraw/zinc/04/36/92/730043692.db2.gz FTFBUVXGZLVSHQ-NEPJUHHUSA-N 2 0 296.802 1.287 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000712996135 730046510 /nfs/dbraw/zinc/04/65/10/730046510.db2.gz LWBHUENRUOGSMC-STQMWFEESA-N 2 0 283.460 1.985 10 0 CDAERP Cc1cc([C@H]([NH3+])CC(=O)N[C@H](C[NH3+])C2CC2)cc(Cl)n1 ZINC000832785939 730057277 /nfs/dbraw/zinc/05/72/77/730057277.db2.gz FTFBUVXGZLVSHQ-VXGBXAGGSA-N 2 0 296.802 1.287 10 0 CDAERP C[NH+]1CCC(C[NH2+]C[C@@H](O)C2CC2)(N2CCCCC2)CC1 ZINC000819110933 730316033 /nfs/dbraw/zinc/31/60/33/730316033.db2.gz KTYDZEGUGMVDMU-MRXNPFEDSA-N 2 0 295.471 1.297 10 0 CDAERP CCCC[N@H+](C)CC1CC[NH+]([C@@H]2CCN(OC)C2=O)CC1 ZINC000929294739 730326770 /nfs/dbraw/zinc/32/67/70/730326770.db2.gz DWIHBWZJURKKHW-OAHLLOKOSA-N 2 0 297.443 1.593 10 0 CDAERP CCc1noc([C@@H]2CC[C@@H]([NH2+][C@@H](CCC[NH3+])COC)C2)n1 ZINC000925874135 730415147 /nfs/dbraw/zinc/41/51/47/730415147.db2.gz WIWCUCDLHIOJEA-UPJWGTAASA-N 2 0 296.415 1.612 10 0 CDAERP CC1(C)C[C@H](O)C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000866703938 1164812112 /nfs/dbraw/zinc/81/21/12/1164812112.db2.gz QKBQFGVQLZOXGY-JYJNAYRXSA-N 2 0 292.423 1.010 10 0 CDAERP CCC1(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1 ZINC000870020274 1165133650 /nfs/dbraw/zinc/13/36/50/1165133650.db2.gz KDOLCZRVSXPXQN-ZIAGYGMSSA-N 2 0 281.444 1.374 10 0 CDAERP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870876868 1165226478 /nfs/dbraw/zinc/22/64/78/1165226478.db2.gz PYYQNQJOBAAJHW-DLTWYDFYSA-N 2 0 293.455 1.885 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000123633477 1165300430 /nfs/dbraw/zinc/30/04/30/1165300430.db2.gz YTRBLZMSZGKRTH-QWHCGFSZSA-N 2 0 255.406 1.206 10 0 CDAERP CC1(C)C[NH2+]CC[C@@H](NC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000872276116 1165408220 /nfs/dbraw/zinc/40/82/20/1165408220.db2.gz MWUUWODRTVFFBY-MCIONIFRSA-N 2 0 281.444 1.788 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)NCCC[NH+](C)C)C1 ZINC001618487291 1165633910 /nfs/dbraw/zinc/63/39/10/1165633910.db2.gz ZCIDYHFQCKRKBJ-ZDUSSCGKSA-N 2 0 255.406 1.175 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](CC[NH+](C)C)C1 ZINC001637880622 1166793608 /nfs/dbraw/zinc/79/36/08/1166793608.db2.gz VUDHLGLVVBZFIW-CYBMUJFWSA-N 2 0 255.406 1.127 10 0 CDAERP CC[C@H](C)C[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001568899146 1167546279 /nfs/dbraw/zinc/54/62/79/1167546279.db2.gz SYWLFQBXNCJJGZ-MEWZEZIVSA-N 2 0 267.417 1.389 10 0 CDAERP CC(C)=CC[N@H+](C)CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001566508826 1167969859 /nfs/dbraw/zinc/96/98/59/1167969859.db2.gz QTMJGPKACXJQGT-OAHLLOKOSA-N 2 0 281.444 1.733 10 0 CDAERP CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]CCCF)C1)[NH+](C)C ZINC001567141364 1168047173 /nfs/dbraw/zinc/04/71/73/1168047173.db2.gz ZVGISYJCZFJBJB-STQMWFEESA-N 2 0 273.396 1.124 10 0 CDAERP CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CCC[NH+](C)C ZINC001565937561 1168203979 /nfs/dbraw/zinc/20/39/79/1168203979.db2.gz AUEPHJVSOYIFLQ-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1CCC[C@H](C[NH2+]CCF)C1 ZINC001566910531 1168463081 /nfs/dbraw/zinc/46/30/81/1168463081.db2.gz VIDQYMVEBUOVHU-CQSZACIVSA-N 2 0 287.423 1.516 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CCCF ZINC001567016709 1168512130 /nfs/dbraw/zinc/51/21/30/1168512130.db2.gz LJTHJOKDUCXWOX-QWHCGFSZSA-N 2 0 273.396 1.313 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCC1CC1 ZINC001567027536 1168518255 /nfs/dbraw/zinc/51/82/55/1168518255.db2.gz CKLNWIWCPLEAEQ-OCCSQVGLSA-N 2 0 267.417 1.365 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CCn1ccnc1 ZINC001272292963 912716189 /nfs/dbraw/zinc/71/61/89/912716189.db2.gz YVTXOJPOLPRJNQ-LSDHHAIUSA-N 2 0 292.427 1.948 10 0 CDAERP O=C(CCCC[NH+]1CCCC1)NC[C@H]1CCN1CCF ZINC001483706068 912936453 /nfs/dbraw/zinc/93/64/53/912936453.db2.gz LBMORMMLTTWUEJ-CQSZACIVSA-N 2 0 285.407 1.413 10 0 CDAERP CC(C)=CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001272382798 912981400 /nfs/dbraw/zinc/98/14/00/912981400.db2.gz AYZZJMJHXKCWKQ-HOTGVXAUSA-N 2 0 293.455 1.875 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@@H]([NH2+]CCCF)C1 ZINC001266690667 895839523 /nfs/dbraw/zinc/83/95/23/895839523.db2.gz OSZGEPHRTCDJHG-HZSPNIEDSA-N 2 0 285.407 1.457 10 0 CDAERP CC(C)[NH2+][C@H]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001266692803 895844649 /nfs/dbraw/zinc/84/46/49/895844649.db2.gz DFNFWVUNJJOEDB-MJBXVCDLSA-N 2 0 267.417 1.506 10 0 CDAERP CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)[C@@H]1CCCOC1 ZINC000723969345 896306958 /nfs/dbraw/zinc/30/69/58/896306958.db2.gz PDSYEAFLWABBRG-KFWWJZLASA-N 2 0 272.433 1.482 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)CC[NH2+]Cc1scnc1C ZINC001267004601 896528889 /nfs/dbraw/zinc/52/88/89/896528889.db2.gz FSFXGATUALCGFI-UHFFFAOYSA-N 2 0 298.456 1.341 10 0 CDAERP CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]C/C=C\Cl)C1)[NH+](C)C ZINC001267059377 896659653 /nfs/dbraw/zinc/65/96/53/896659653.db2.gz VYMMCCFDPBTPHM-REPZICSESA-N 2 0 287.835 1.517 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001267152943 896935609 /nfs/dbraw/zinc/93/56/09/896935609.db2.gz XPEHFINASVBJMJ-CABCVRRESA-N 2 0 281.444 1.779 10 0 CDAERP CCCC[NH2+]CCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001267449521 897920130 /nfs/dbraw/zinc/92/01/30/897920130.db2.gz CKFYZOUOABTPBQ-UHFFFAOYSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)=CC[NH2+]CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001267473727 898095689 /nfs/dbraw/zinc/09/56/89/898095689.db2.gz NVEXZTGRLVXVHE-HUUCEWRRSA-N 2 0 281.444 1.873 10 0 CDAERP CC(C)=CC[NH2+]CCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001267473724 898097030 /nfs/dbraw/zinc/09/70/30/898097030.db2.gz NVEXZTGRLVXVHE-GASCZTMLSA-N 2 0 281.444 1.873 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001481125700 898942393 /nfs/dbraw/zinc/94/23/93/898942393.db2.gz FINSNGKBQHQFRL-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP CC[NH2+]CCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001481245004 899625148 /nfs/dbraw/zinc/62/51/48/899625148.db2.gz CHHZYWXQUPOQEX-OLZOCXBDSA-N 2 0 253.390 1.071 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1CCC[N@H+](CC[C@H](C)F)C1)[NH+](C)C ZINC001481526383 901073083 /nfs/dbraw/zinc/07/30/83/901073083.db2.gz XKGKCARLJMNLSL-BFHYXJOUSA-N 2 0 287.423 1.655 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1)C1C[NH2+]C1 ZINC000722391548 901226999 /nfs/dbraw/zinc/22/69/99/901226999.db2.gz LUUKTTHEJZYCIO-HGNGGELXSA-N 2 0 252.280 1.294 10 0 CDAERP CC[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC[C@@H](C)F ZINC001481817789 902168091 /nfs/dbraw/zinc/16/80/91/902168091.db2.gz ATECGKSHXXBMCF-OLZOCXBDSA-N 2 0 287.423 1.703 10 0 CDAERP CC[C@@H](CNC(=O)Cn1cncc1C)[NH2+]CC=C(C)C ZINC001481836412 902194762 /nfs/dbraw/zinc/19/47/62/902194762.db2.gz ZHVFGHQXXXZMAB-AWEZNQCLSA-N 2 0 278.400 1.642 10 0 CDAERP O=C(CCC[NH+]1CCCC1)NC1(C[NH2+]CCF)CCCC1 ZINC001481913517 902308252 /nfs/dbraw/zinc/30/82/52/902308252.db2.gz YKROZEIZHVPVEN-UHFFFAOYSA-N 2 0 299.434 1.851 10 0 CDAERP C[C@H](CNC(=O)Cc1ncc[nH]1)C[NH2+]CC1CCCC1 ZINC001482153777 902772270 /nfs/dbraw/zinc/77/22/70/902772270.db2.gz AXGFIGYHOQMTKU-LBPRGKRZSA-N 2 0 278.400 1.484 10 0 CDAERP CC(C)[NH2+]C/C=C/CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001268630421 902844960 /nfs/dbraw/zinc/84/49/60/902844960.db2.gz KPILRHPZMOJVQW-LLYBFZRZSA-N 2 0 281.444 1.777 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@@H](C)NC(=O)Cc1[nH]cnc1C ZINC001268670956 902933673 /nfs/dbraw/zinc/93/36/73/902933673.db2.gz PXFYERJOHYWGHA-GHMZBOCLSA-N 2 0 266.389 1.401 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1CC[N@H+](CC=C(C)C)C1 ZINC001269134288 903461463 /nfs/dbraw/zinc/46/14/63/903461463.db2.gz KSKITVKCFPMVAT-CABCVRRESA-N 2 0 299.434 1.823 10 0 CDAERP CC[NH2+]CC[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001280083397 904169186 /nfs/dbraw/zinc/16/91/86/904169186.db2.gz KGLIFZKDDQRMIZ-KBPBESRZSA-N 2 0 269.433 1.421 10 0 CDAERP C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C[NH2+]CCF ZINC001279125701 904261391 /nfs/dbraw/zinc/26/13/91/904261391.db2.gz RLFQGBHBIPRCEQ-KBPBESRZSA-N 2 0 297.418 1.268 10 0 CDAERP C[NH+](C)CCCC(=O)NCC1=CC[N@H+](CC2CCC2)CC1 ZINC001284960141 904642349 /nfs/dbraw/zinc/64/23/49/904642349.db2.gz REZQAOURFGNXSP-UHFFFAOYSA-N 2 0 293.455 1.877 10 0 CDAERP CC(C)=CC[NH+]1CC[C@](C)(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001270650579 904882481 /nfs/dbraw/zinc/88/24/81/904882481.db2.gz WMVAFUSCXSKCMR-WBVHZDCISA-N 2 0 293.455 1.875 10 0 CDAERP CCCC[NH2+]C[C@H](C)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482354601 905178487 /nfs/dbraw/zinc/17/84/87/905178487.db2.gz RLICSGGBHIXIMG-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001270967558 905505136 /nfs/dbraw/zinc/50/51/36/905505136.db2.gz JPMWZNRPGQNHQU-JHJVBQTASA-N 2 0 255.406 1.172 10 0 CDAERP C[C@@H](C[NH2+]C/C=C/Cl)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001271068814 905612744 /nfs/dbraw/zinc/61/27/44/905612744.db2.gz TYNKIBAXLMKLBV-GAEWNOSXSA-N 2 0 273.808 1.270 10 0 CDAERP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262380243 906269137 /nfs/dbraw/zinc/26/91/37/906269137.db2.gz NROZNXNCAZCAPR-ZOBORPQBSA-N 2 0 267.417 1.173 10 0 CDAERP CN(C/C=C/Cl)CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482642737 908107541 /nfs/dbraw/zinc/10/75/41/908107541.db2.gz RNUKPOUSAYJHLU-BPJJOFIESA-N 2 0 287.835 1.471 10 0 CDAERP CC(C)C[NH2+]CC[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001482900701 908465919 /nfs/dbraw/zinc/46/59/19/908465919.db2.gz FAVCXMIMAQMDPQ-ZDUSSCGKSA-N 2 0 257.422 1.467 10 0 CDAERP CCN(CC[NH2+]C[C@H]1CCCCO1)C(=O)C[N@H+](C)C(C)C ZINC001482969779 908554889 /nfs/dbraw/zinc/55/48/89/908554889.db2.gz KEDHEOVRJAIWGQ-OAHLLOKOSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)=CC[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@H+]1C ZINC001482990639 908655739 /nfs/dbraw/zinc/65/57/39/908655739.db2.gz FVVZUQQDXBQKQX-ISZGNANSSA-N 2 0 265.401 1.309 10 0 CDAERP C([C@@H]1CC2CCC1CC2)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000691680512 921435558 /nfs/dbraw/zinc/43/55/58/921435558.db2.gz WLLXMPSGBBSZKH-SJJHQCBESA-N 2 0 277.456 1.792 10 0 CDAERP C[N@H+](CC(=O)NC/C=C\C[NH2+]CC1CC1)CC(C)(C)C ZINC001483060684 909203539 /nfs/dbraw/zinc/20/35/39/909203539.db2.gz OLFQPBCGFUWTHH-WAYWQWQTSA-N 2 0 281.444 1.636 10 0 CDAERP CC[NH2+]C/C=C\CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001483076991 909288781 /nfs/dbraw/zinc/28/87/81/909288781.db2.gz YVTVTCBWXIVRIY-WAYWQWQTSA-N 2 0 267.417 1.389 10 0 CDAERP CC(C)=CC[NH2+]C/C=C\CNC(=O)C[NH+]1CCCC1 ZINC001483092725 909320816 /nfs/dbraw/zinc/32/08/16/909320816.db2.gz IXNQVODCZRPJCI-ARJAWSKDSA-N 2 0 265.401 1.310 10 0 CDAERP C[C@H](C[NH2+]CCC(C)(C)C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001483166890 909901697 /nfs/dbraw/zinc/90/16/97/909901697.db2.gz QESNTLLTWSQSLU-ZIAGYGMSSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@@H](C[NH2+]Cc1cccnc1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001483283070 910789025 /nfs/dbraw/zinc/78/90/25/910789025.db2.gz IEMHMMFKNKZFOL-UONOGXRCSA-N 2 0 290.411 1.018 10 0 CDAERP Cc1cnc([C@H](C)[NH2+]CCCN(C)C(=O)CC[NH+](C)C)o1 ZINC001483490192 911188277 /nfs/dbraw/zinc/18/82/77/911188277.db2.gz YABIVWWBLOPZRQ-ZDUSSCGKSA-N 2 0 296.415 1.434 10 0 CDAERP CCCC[NH2+]CCCN(C)C(=O)Cn1ccnc1C ZINC001483510585 911212711 /nfs/dbraw/zinc/21/27/11/911212711.db2.gz PMXQBRTVSVRVON-UHFFFAOYSA-N 2 0 266.389 1.430 10 0 CDAERP O=C(N[C@H](C[NH2+]CCF)C1CC1)C12CCC[NH+](CCC1)C2 ZINC001483568513 911267899 /nfs/dbraw/zinc/26/78/99/911267899.db2.gz HTEHVFWZRSQUCT-CQSZACIVSA-N 2 0 297.418 1.316 10 0 CDAERP CC[N@@H+]1CCC[C@@](C)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001484174410 915491756 /nfs/dbraw/zinc/49/17/56/915491756.db2.gz PNWIRRVSROPOIW-ZBFHGGJFSA-N 2 0 281.444 1.566 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CC[C@H](C[NH2+]CCOC)CC1)[NH+](C)C ZINC001484568044 915890763 /nfs/dbraw/zinc/89/07/63/915890763.db2.gz CACQFQZJMDNPKV-RBSFLKMASA-N 2 0 299.459 1.238 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCOC)CCC1 ZINC001484663490 916009877 /nfs/dbraw/zinc/00/98/77/916009877.db2.gz VXONLKALLWKKIB-AWEZNQCLSA-N 2 0 297.443 1.136 10 0 CDAERP CC(C)[NH2+][C@H](C)[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001485211701 916676119 /nfs/dbraw/zinc/67/61/19/916676119.db2.gz IYUOZNQIUBNARN-ZIAGYGMSSA-N 2 0 295.471 2.000 10 0 CDAERP CC(C)[NH2+][C@H](C)[C@H]1CN(C(=O)CCCC[NH+](C)C)CCO1 ZINC001485648386 917152105 /nfs/dbraw/zinc/15/21/05/917152105.db2.gz HUSCEZYSTFGDSK-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001485643765 917156500 /nfs/dbraw/zinc/15/65/00/917156500.db2.gz MAFJGAOHDHQJIH-GJZGRUSLSA-N 2 0 297.443 1.110 10 0 CDAERP CCN(C(=O)NC[C@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](C)C1 ZINC001649309254 1169185860 /nfs/dbraw/zinc/18/58/60/1169185860.db2.gz SHKFPPOYPQYJDB-ZIAGYGMSSA-N 2 0 282.432 1.206 10 0 CDAERP COCC[NH2+]C1(CNC(=O)C[N@H+](C)C2CCC2)CCCC1 ZINC001568237001 1169194246 /nfs/dbraw/zinc/19/42/46/1169194246.db2.gz KRZAQZIGCNREGZ-UHFFFAOYSA-N 2 0 297.443 1.136 10 0 CDAERP Cc1cncc(C[NH2+][C@H](C)CN(C)C(=O)CC[NH+](C)C)c1 ZINC001485918350 920574776 /nfs/dbraw/zinc/57/47/76/920574776.db2.gz DVWXJEYNEAMMGM-CQSZACIVSA-N 2 0 292.427 1.278 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001485956669 920607792 /nfs/dbraw/zinc/60/77/92/920607792.db2.gz ZRCYNPRHYRAYAJ-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC=C(C)C)C[C@@H]1C ZINC001486130761 920736120 /nfs/dbraw/zinc/73/61/20/920736120.db2.gz SRHOJJNAWQIXGD-LSDHHAIUSA-N 2 0 281.444 1.873 10 0 CDAERP CC(C)[C@H](C(=O)N[C@@H](C[NH2+]CCF)C(C)(C)C)[NH+](C)C ZINC001486419478 920992344 /nfs/dbraw/zinc/99/23/44/920992344.db2.gz BOESWIPRHSQNSX-QWHCGFSZSA-N 2 0 289.439 1.663 10 0 CDAERP C[C@H](F)CC[NH2+]C1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001486475576 921051849 /nfs/dbraw/zinc/05/18/49/921051849.db2.gz SGZPCZVJLQMCEY-HIFPTAJRSA-N 2 0 273.396 1.265 10 0 CDAERP c1csc([C@H]2CC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)n1 ZINC000710467925 923244111 /nfs/dbraw/zinc/24/41/11/923244111.db2.gz PNOJJNCZAVQRJA-RYUDHWBXSA-N 2 0 251.399 1.932 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001490947971 936834586 /nfs/dbraw/zinc/83/45/86/936834586.db2.gz FLTBDHKRXGMLKX-IHRRRGAJSA-N 2 0 269.433 1.754 10 0 CDAERP C(C[NH2+]C1CC1)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000923358875 923770424 /nfs/dbraw/zinc/77/04/24/923770424.db2.gz MBDJFNLQHIXBRX-LSDHHAIUSA-N 3 0 265.445 1.840 10 0 CDAERP CC(C)CC[C@H](O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000923367690 923780352 /nfs/dbraw/zinc/78/03/52/923780352.db2.gz WLXUDLQJHLNVID-LSDHHAIUSA-N 2 0 254.418 1.859 10 0 CDAERP COc1cccc([C@H](C)[NH2+]C[C@H]2CC3(C[NH2+]C3)CO2)c1 ZINC000923388605 923802105 /nfs/dbraw/zinc/80/21/05/923802105.db2.gz PZEWHDMQHDJMJG-SWLSCSKDSA-N 2 0 276.380 1.724 10 0 CDAERP C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]C/C=C\Cl ZINC001491486748 936923188 /nfs/dbraw/zinc/92/31/88/936923188.db2.gz OMGUUJGFOCFXFP-FTBGMHHGSA-N 2 0 287.835 1.708 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]C/C=C\Cl ZINC001410521263 925870423 /nfs/dbraw/zinc/87/04/23/925870423.db2.gz USNPZRHQDJJWSG-ZHRWSRJISA-N 2 0 275.824 1.516 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001488771785 926686366 /nfs/dbraw/zinc/68/63/66/926686366.db2.gz RBHIOHOLLURLLW-BFJGBIGKSA-N 2 0 273.808 1.175 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCC2)C1 ZINC001488852115 926721932 /nfs/dbraw/zinc/72/19/32/926721932.db2.gz UFFFHRDPZNTCLK-SHTZXODSSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CC=C(C)C ZINC001489133047 926803556 /nfs/dbraw/zinc/80/35/56/926803556.db2.gz OZLSFPCFVOIHPJ-LSDHHAIUSA-N 2 0 281.444 1.873 10 0 CDAERP C[NH+](C)CCCC(=O)N1C[C@@H]([NH2+]CCF)C(C)(C)C1 ZINC001411005240 926878252 /nfs/dbraw/zinc/87/82/52/926878252.db2.gz WTRCJNJKXZDIDI-GFCCVEGCSA-N 2 0 273.396 1.124 10 0 CDAERP CC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC(C)(C)C1 ZINC001489347736 926878812 /nfs/dbraw/zinc/87/88/12/926878812.db2.gz QNCRQMHCICICRX-CQSZACIVSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](F)C[N@H+](C)CCCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001490250434 927057737 /nfs/dbraw/zinc/05/77/37/927057737.db2.gz LASVYGHIJSFUIE-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP COCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001490305157 927093764 /nfs/dbraw/zinc/09/37/64/927093764.db2.gz DNAFIHRIZXQSHZ-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP O=C(NCCC[N@@H+](CCCF)C1CC1)C12CC[NH+](CC1)C2 ZINC001490390454 927147564 /nfs/dbraw/zinc/14/75/64/927147564.db2.gz PDGPWDDAYONIKS-UHFFFAOYSA-N 2 0 297.418 1.413 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]C(C)C)C1CC1 ZINC001490670846 927276318 /nfs/dbraw/zinc/27/63/18/927276318.db2.gz HBULONPKXGUVSL-GJZGRUSLSA-N 2 0 281.444 1.754 10 0 CDAERP CC[C@@H](C(=O)NC1(C2CC[NH+](CCF)CC2)CC1)[NH+](C)C ZINC001411253552 927323584 /nfs/dbraw/zinc/32/35/84/927323584.db2.gz ZVRIHSOZWXMHFT-AWEZNQCLSA-N 2 0 299.434 1.657 10 0 CDAERP [NH3+]CCCCCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000843506479 937157173 /nfs/dbraw/zinc/15/71/73/937157173.db2.gz VRFSGMHBUODQFS-IHRRRGAJSA-N 2 0 267.417 1.542 10 0 CDAERP C[NH+]1CCC2(CCC[N@H+](C[C@@H](O)CC3(O)CCC3)C2)CC1 ZINC000859292040 928999135 /nfs/dbraw/zinc/99/91/35/928999135.db2.gz RBXZEHDRNBCLAQ-HNNXBMFYSA-N 2 0 296.455 1.460 10 0 CDAERP C[C@H]1CC[C@H](NC(=O)N(C)C2CCC([NH3+])CC2)C[NH2+]1 ZINC000861691298 929322281 /nfs/dbraw/zinc/32/22/81/929322281.db2.gz YXOZKFLASTYZAS-QCXCNERSSA-N 2 0 268.405 1.038 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC/C=C/C[NH2+]CC=C(C)C)CC[N@@H+]1C ZINC001274034025 931134156 /nfs/dbraw/zinc/13/41/56/931134156.db2.gz BJGPXBGFWGOLMC-BUWFCSEKSA-N 2 0 293.455 1.945 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC1CC1 ZINC001274154882 931206473 /nfs/dbraw/zinc/20/64/73/931206473.db2.gz XNVVAQAJTBMTGV-QDLOVBKTSA-N 2 0 293.455 1.779 10 0 CDAERP C[C@H](C[NH2+]CCCF)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001274918983 931609586 /nfs/dbraw/zinc/60/95/86/931609586.db2.gz HMVMOKAFRSRCIP-GFCCVEGCSA-N 2 0 275.412 1.418 10 0 CDAERP Cc1nc(CC[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C)cs1 ZINC001275291553 931726547 /nfs/dbraw/zinc/72/65/47/931726547.db2.gz LYNHHWKTTKBXKX-NSHDSACASA-N 2 0 298.456 1.040 10 0 CDAERP C[C@@H]([NH2+]CC1CCCC1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001275479856 931821002 /nfs/dbraw/zinc/82/10/02/931821002.db2.gz COKHQNOOBPLOHU-OLZOCXBDSA-N 2 0 269.433 1.611 10 0 CDAERP O=C(N[C@@]12CC[N@H+](C1)CCC2)c1ccn(-c2cc[nH+]cc2)n1 ZINC001412272926 932360205 /nfs/dbraw/zinc/36/02/05/932360205.db2.gz PYMVOTNBGREOOB-INIZCTEOSA-N 2 0 297.362 1.235 10 0 CDAERP O=C(CC[N@H+]1CC[C@@H](F)C1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001412529806 932469816 /nfs/dbraw/zinc/46/98/16/932469816.db2.gz PXNFBQAYJDWGFV-CABCVRRESA-N 2 0 297.418 1.507 10 0 CDAERP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001412593843 932538188 /nfs/dbraw/zinc/53/81/88/932538188.db2.gz PVGWISCICFHQNF-FPCVCCKLSA-N 2 0 295.471 1.905 10 0 CDAERP COCCN1CC[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925554748 932903787 /nfs/dbraw/zinc/90/37/87/932903787.db2.gz AHHGFKUARISHMJ-HZSPNIEDSA-N 2 0 269.433 1.203 10 0 CDAERP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(C)(C)CO ZINC000925556514 932904203 /nfs/dbraw/zinc/90/42/03/932904203.db2.gz LMTNCTPOVSXVRU-NWANDNLSSA-N 2 0 284.444 1.361 10 0 CDAERP CCNC(=O)C(C)(C)C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925608389 932913053 /nfs/dbraw/zinc/91/30/53/932913053.db2.gz XCHGMEQDNXITLT-QWRGUYRKSA-N 2 0 253.390 1.008 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@H]2CCCc3cccnc32)CC1 ZINC000925816055 932941580 /nfs/dbraw/zinc/94/15/80/932941580.db2.gz CWUQVESXAKQSDQ-HNNXBMFYSA-N 2 0 274.412 1.472 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000925827320 932943635 /nfs/dbraw/zinc/94/36/35/932943635.db2.gz NDPNDXFURQJBCR-FVQBIDKESA-N 2 0 276.428 1.662 10 0 CDAERP Cn1nnc2c1C[C@@H]([NH2+][C@H]1[C@@H]3CCC[NH2+][C@@H]3C1(C)C)CC2 ZINC000925893866 932949933 /nfs/dbraw/zinc/94/99/33/932949933.db2.gz RNRPFKILDBWLCY-JLUCKKNBSA-N 2 0 289.427 1.039 10 0 CDAERP COC(CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)OC ZINC000686611097 934179797 /nfs/dbraw/zinc/17/97/97/934179797.db2.gz RPFQSKAPGLPOFK-FUNVUKJBSA-N 2 0 256.390 1.552 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[NH+]3CCC2CC3)CC[N@@H+]1C ZINC001412762062 934328186 /nfs/dbraw/zinc/32/81/86/934328186.db2.gz UKVBLJUETQRGLM-SOUVJXGZSA-N 2 0 279.428 1.175 10 0 CDAERP C[C@H](CC[NH2+]Cc1ccns1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001568611638 1169397132 /nfs/dbraw/zinc/39/71/32/1169397132.db2.gz FCADJKVMHZXBNX-YPMHNXCESA-N 2 0 296.440 1.222 10 0 CDAERP CN(C(=O)c1cccc(C[NH3+])c1)[C@@H]1C[NH+]2CCC1CC2 ZINC000380903779 935467887 /nfs/dbraw/zinc/46/78/87/935467887.db2.gz GOBGIZYCUVIUSD-OAHLLOKOSA-N 2 0 273.380 1.312 10 0 CDAERP C[C@@H](C(=O)N1CC[N@H+](C2CCCC2)[C@H](C)C1)[NH+](C)C ZINC001124032192 936272275 /nfs/dbraw/zinc/27/22/75/936272275.db2.gz FPSHSHPPWXSJGD-OLZOCXBDSA-N 2 0 267.417 1.412 10 0 CDAERP CCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001568669484 1169423017 /nfs/dbraw/zinc/42/30/17/1169423017.db2.gz QOIUJVHCUCJFFH-RDBSUJKOSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)CC[N@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001329533143 940297990 /nfs/dbraw/zinc/29/79/90/940297990.db2.gz UKQQVHMRTYHAPG-ZDUSSCGKSA-N 2 0 257.422 1.421 10 0 CDAERP CCO[C@@H]1C[N@H+](CC[C@H]2CC2(Cl)Cl)C[C@H]1C[NH3+] ZINC000405197876 940974205 /nfs/dbraw/zinc/97/42/05/940974205.db2.gz CXCKTPSOWCXWIZ-OUAUKWLOSA-N 2 0 281.227 1.866 10 0 CDAERP [NH3+][C@H]1C[C@@H]([NH2+]CCc2ccc3c(c2)OCCO3)C12CCC2 ZINC000405257028 940977089 /nfs/dbraw/zinc/97/70/89/940977089.db2.gz MWUCADOZTGYCDT-JKSUJKDBSA-N 2 0 288.391 1.860 10 0 CDAERP COCCOCCCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405301115 940979696 /nfs/dbraw/zinc/97/96/96/940979696.db2.gz JLFIAZLGXZSQQV-CHWSQXEVSA-N 2 0 256.390 1.289 10 0 CDAERP COC[C@@H](C)C[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000188322719 941283181 /nfs/dbraw/zinc/28/31/81/941283181.db2.gz VUZGYKWTFIFFNT-UONOGXRCSA-N 2 0 265.401 1.957 10 0 CDAERP C[NH+](C)C[C@H]1CCCCN1C(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001362033183 970797380 /nfs/dbraw/zinc/79/73/80/970797380.db2.gz TXBIHEAKRGUGBC-ZIAGYGMSSA-N 2 0 285.407 1.363 10 0 CDAERP CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001277001073 941800336 /nfs/dbraw/zinc/80/03/36/941800336.db2.gz IESPEBLHSOUQSO-KLHDSHLOSA-N 2 0 293.455 1.898 10 0 CDAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001362116173 970905772 /nfs/dbraw/zinc/90/57/72/970905772.db2.gz ZNUCXXOZJQZAEG-ARFHVFGLSA-N 2 0 295.471 1.907 10 0 CDAERP CCC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CCO1 ZINC001280681598 942474089 /nfs/dbraw/zinc/47/40/89/942474089.db2.gz KBRSMTJCZDWAFW-OAHLLOKOSA-N 2 0 297.443 1.089 10 0 CDAERP CCCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001281672335 942607843 /nfs/dbraw/zinc/60/78/43/942607843.db2.gz AKTPJLWWJVOFIR-KBPBESRZSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)[NH2+][C@H](C)[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001282139675 942668021 /nfs/dbraw/zinc/66/80/21/942668021.db2.gz DQUORPJIRFDJGP-NEPJUHHUSA-N 2 0 255.406 1.362 10 0 CDAERP CCCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001282392142 942704237 /nfs/dbraw/zinc/70/42/37/942704237.db2.gz VZGNIUYCWGRUPJ-BFHYXJOUSA-N 2 0 269.433 1.563 10 0 CDAERP CCCCC[NH+]1CC([C@@H](C)NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001282736846 942745574 /nfs/dbraw/zinc/74/55/74/942745574.db2.gz ILSYRVFMCUFKSJ-HIFRSBDPSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001283712564 942976127 /nfs/dbraw/zinc/97/61/27/942976127.db2.gz ADGURXKBBAMTNB-KBPBESRZSA-N 2 0 269.433 1.421 10 0 CDAERP C[N@H+](CC(=O)NC[C@H]1C[C@H]([NH2+]CCCF)C1)C1CCC1 ZINC001316629331 942981272 /nfs/dbraw/zinc/98/12/72/942981272.db2.gz HKBKLJZJKQADRX-JOCQHMNTSA-N 2 0 285.407 1.315 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CCOC(C)C)C[C@@H]1C ZINC001284026944 943054673 /nfs/dbraw/zinc/05/46/73/943054673.db2.gz SRKGDXITPXLESC-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC001362221687 971034608 /nfs/dbraw/zinc/03/46/08/971034608.db2.gz NZADMOJFQQUJLP-AWEZNQCLSA-N 2 0 295.427 1.758 10 0 CDAERP CC[NH2+][C@H]1C[C@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001263880222 944019145 /nfs/dbraw/zinc/01/91/45/944019145.db2.gz HDCWYTVMVSFHBA-SHTZXODSSA-N 2 0 281.444 1.757 10 0 CDAERP CCCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@H]1C ZINC001264167258 944090423 /nfs/dbraw/zinc/09/04/23/944090423.db2.gz RENXUQJUARIOEG-KGLIPLIRSA-N 2 0 269.433 1.707 10 0 CDAERP CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001265088298 944225923 /nfs/dbraw/zinc/22/59/23/944225923.db2.gz BJSCPCJSPLMETC-CHWSQXEVSA-N 2 0 255.406 1.317 10 0 CDAERP CC[N@H+](CCCNC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001265172698 944258736 /nfs/dbraw/zinc/25/87/36/944258736.db2.gz HOJYTAQBAHSXBF-UHFFFAOYSA-N 2 0 267.417 1.319 10 0 CDAERP CCC[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001265571538 944432664 /nfs/dbraw/zinc/43/26/64/944432664.db2.gz SCHHYXDYJUBIET-OKILXGFUSA-N 2 0 267.417 1.509 10 0 CDAERP CCCCC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001265938199 944584060 /nfs/dbraw/zinc/58/40/60/944584060.db2.gz LKNZHYWMQDDXPB-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CC[C@H]([NH2+]CC2CC2)C1 ZINC001265941674 944587900 /nfs/dbraw/zinc/58/79/00/944587900.db2.gz FJYRTZSNNZPVJI-AWEZNQCLSA-N 2 0 267.417 1.319 10 0 CDAERP CCCC[NH2+]C[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001265983184 944614649 /nfs/dbraw/zinc/61/46/49/944614649.db2.gz OFTPSNKNLGUWIA-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CCC2CC2)C1 ZINC001266032364 944642832 /nfs/dbraw/zinc/64/28/32/944642832.db2.gz XOGLEPREAWOGAP-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@H]([NH2+]CCCF)C1 ZINC001266067459 944661318 /nfs/dbraw/zinc/66/13/18/944661318.db2.gz LFSHOCQWTWMUER-STQMWFEESA-N 2 0 273.396 1.315 10 0 CDAERP C[NH+]1CCC2(CCCN2C(=O)CC[N@@H+]2CC[C@H](F)C2)CC1 ZINC001362316187 971148796 /nfs/dbraw/zinc/14/87/96/971148796.db2.gz XTYQJFSKCRUVCA-AWEZNQCLSA-N 2 0 297.418 1.507 10 0 CDAERP COC(=O)c1cccc(C[NH2+]CCC2(C[NH3+])CC2)c1 ZINC001261506326 946151317 /nfs/dbraw/zinc/15/13/17/946151317.db2.gz OZBDGFARALYRJT-UHFFFAOYSA-N 2 0 262.353 1.692 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC001362493245 971335911 /nfs/dbraw/zinc/33/59/11/971335911.db2.gz MPBZQVWIQKDVFS-ZBFHGGJFSA-N 2 0 281.444 1.519 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1CC ZINC001479641108 971357381 /nfs/dbraw/zinc/35/73/81/971357381.db2.gz MKZBPESLVRPIDK-QLFBSQMISA-N 2 0 283.460 1.953 10 0 CDAERP CN1C[C@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1=O ZINC000723583307 947485547 /nfs/dbraw/zinc/48/55/47/947485547.db2.gz RTPMGXMUOCHPER-RLAWYHOSSA-N 2 0 265.401 1.070 10 0 CDAERP CC/C=C/CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001569002036 1169588975 /nfs/dbraw/zinc/58/89/75/1169588975.db2.gz CLJHJKWQKGRART-MUHKLVGJSA-N 2 0 281.444 1.921 10 0 CDAERP C[C@H](CNC(=O)c1ccc(C[NH+]2CCCC2)o1)C[NH+](C)C ZINC001362780658 971615081 /nfs/dbraw/zinc/61/50/81/971615081.db2.gz PXYMKBYGMVZVNI-CYBMUJFWSA-N 2 0 293.411 1.803 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001480224031 971635829 /nfs/dbraw/zinc/63/58/29/971635829.db2.gz NFDKGLVYGNHCLM-RVMXOQNASA-N 2 0 273.396 1.312 10 0 CDAERP C[NH+](C)C1(C(=O)NCC[C@H]2CCC[N@H+](C)C2)CCCC1 ZINC001362819464 971642332 /nfs/dbraw/zinc/64/23/32/971642332.db2.gz LHXTVNPCHOLALU-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC001362841169 971659649 /nfs/dbraw/zinc/65/96/49/971659649.db2.gz GMIIVNIFBYUQSS-KBPBESRZSA-N 2 0 283.460 1.811 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CCCC[C@H]1C[NH2+]CCF ZINC001480368273 971689829 /nfs/dbraw/zinc/68/98/29/971689829.db2.gz WYUPZFOHRHPESR-ZDUSSCGKSA-N 2 0 271.380 1.022 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001480660224 971828150 /nfs/dbraw/zinc/82/81/50/971828150.db2.gz ZMWGEMIKMKNING-OAHLLOKOSA-N 2 0 293.455 1.733 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N2CC[C@]3(CC[NH+](C)C3)C2)C1 ZINC001363107480 971894077 /nfs/dbraw/zinc/89/40/77/971894077.db2.gz MHUPKXNJPLILOQ-RDJZCZTQSA-N 2 0 293.455 1.661 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[C@H]3C[C@H](C)C[NH+]3C2)C1 ZINC001363590450 953505308 /nfs/dbraw/zinc/50/53/08/953505308.db2.gz DSRRMNLVFZYZEE-FZKCQIBNSA-N 2 0 293.455 1.707 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001493111179 971953052 /nfs/dbraw/zinc/95/30/52/971953052.db2.gz OGMCXDWMBQMPEX-LSDHHAIUSA-N 2 0 281.444 1.850 10 0 CDAERP C[C@@H](C(N)=O)N1CCC[C@H](c2cncn2C(C)(C)C)C1 ZINC001364527716 954744131 /nfs/dbraw/zinc/74/41/31/954744131.db2.gz BMSVVDMWSZRTDA-RYUDHWBXSA-N 2 0 278.400 1.691 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCO[C@H](C)C2)CC1 ZINC001327755556 955030232 /nfs/dbraw/zinc/03/02/32/955030232.db2.gz MQTQDOSVRAZMPS-HIFRSBDPSA-N 2 0 297.443 1.134 10 0 CDAERP CCCC[NH2+]C1(C)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001328051463 955173352 /nfs/dbraw/zinc/17/33/52/955173352.db2.gz UJJJNENMCXSZRD-UHFFFAOYSA-N 2 0 281.444 1.853 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)CC[NH2+]CC1CC1)[NH+](C)C ZINC001493585996 972085159 /nfs/dbraw/zinc/08/51/59/972085159.db2.gz ARWHMZKMPVEKCS-ZDUSSCGKSA-N 2 0 255.406 1.031 10 0 CDAERP CC[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]C[C@@H]1CCCCO1 ZINC001421490504 955374213 /nfs/dbraw/zinc/37/42/13/955374213.db2.gz AQKFSABOUJQFKN-CABCVRRESA-N 2 0 299.459 1.380 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CC(C)C)CC[N@@H+]1C ZINC001421644420 955446935 /nfs/dbraw/zinc/44/69/35/955446935.db2.gz NIKBSJLAIPRTIJ-OWCLPIDISA-N 2 0 295.471 1.953 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@@H](C[NH2+]C/C=C/Cl)C1 ZINC001491832737 955458021 /nfs/dbraw/zinc/45/80/21/955458021.db2.gz SWSADPKNYTTZOS-UXONFWTHSA-N 2 0 273.808 1.129 10 0 CDAERP CC(C)[C@H](C(=O)N1CC[C@H](C[NH2+]CCF)C1)[NH+]1CCCC1 ZINC001491855536 955469448 /nfs/dbraw/zinc/46/94/48/955469448.db2.gz IPJFOWGNWCMTAT-HUUCEWRRSA-N 2 0 299.434 1.514 10 0 CDAERP CC[N@H+](C)[C@H]1CCN(C(=O)NCC2([NH+](C)C)CCC2)C1 ZINC001365146515 955647260 /nfs/dbraw/zinc/64/72/60/955647260.db2.gz RSPDZQYGUBRWLE-ZDUSSCGKSA-N 2 0 282.432 1.206 10 0 CDAERP CC(C)OCC[C@H](O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001365332976 955907607 /nfs/dbraw/zinc/90/76/07/955907607.db2.gz BUGGZQOCZQLGFW-ILXRZTDVSA-N 2 0 270.417 1.046 10 0 CDAERP C[C@@H](NC(=O)C12CCC[NH+]1CCC2)[C@@H](C)[NH2+]CC1CCC1 ZINC001422333549 955948894 /nfs/dbraw/zinc/94/88/94/955948894.db2.gz HIGLVRFKVOGYNZ-ZIAGYGMSSA-N 2 0 293.455 1.898 10 0 CDAERP CCN(CC[NH2+]C(C)C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001422448838 956014825 /nfs/dbraw/zinc/01/48/25/956014825.db2.gz GYKYFWKJOBGVRH-CABCVRRESA-N 2 0 281.444 1.850 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1oc(C)nc1C)[NH+](C)C ZINC001422507188 956105484 /nfs/dbraw/zinc/10/54/84/956105484.db2.gz MMZWNLJKESXMHI-ZWNOBZJWSA-N 2 0 296.415 1.226 10 0 CDAERP CCCC[C@H](C[NH2+]CC1CC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001422692427 956258660 /nfs/dbraw/zinc/25/86/60/956258660.db2.gz XDNTUSBJMWJLKR-OAHLLOKOSA-N 2 0 293.455 1.757 10 0 CDAERP C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCC1CC1 ZINC001317413984 956268067 /nfs/dbraw/zinc/26/80/67/956268067.db2.gz JJUOCSPSUDRVAF-JSGCOSHPSA-N 2 0 267.417 1.223 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CCCCC[N@@H+]1CC1CC1 ZINC001422720819 956291244 /nfs/dbraw/zinc/29/12/44/956291244.db2.gz QIHRPZRBSIDGOG-INIZCTEOSA-N 2 0 293.455 1.853 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CCC1CC1 ZINC001365896357 956429327 /nfs/dbraw/zinc/42/93/27/956429327.db2.gz ULQVXGNZMDMJIP-HIFRSBDPSA-N 2 0 293.455 1.707 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001365996830 956500673 /nfs/dbraw/zinc/50/06/73/956500673.db2.gz GTGICSNZLUYTDS-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001366000538 956502916 /nfs/dbraw/zinc/50/29/16/956502916.db2.gz TVGFTXMAKCCRGU-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)CC[NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001366054384 956534117 /nfs/dbraw/zinc/53/41/17/956534117.db2.gz ACELCYYLLNQZEC-OAHLLOKOSA-N 2 0 293.455 1.613 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H](C[NH2+]CCC3CC3)C2)C1 ZINC001330685859 956564122 /nfs/dbraw/zinc/56/41/22/956564122.db2.gz FLPVXOZZHQUZHI-JYJNAYRXSA-N 2 0 293.455 1.613 10 0 CDAERP C[C@@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC1CCC1 ZINC001423156253 956631234 /nfs/dbraw/zinc/63/12/34/956631234.db2.gz WYIQOGMQAZYXSU-DZGCQCFKSA-N 2 0 281.444 1.565 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CCC[NH2+]CC ZINC001330826503 956652699 /nfs/dbraw/zinc/65/26/99/956652699.db2.gz GIHXHGMAMINQDW-ZIAGYGMSSA-N 2 0 269.433 1.755 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCC2CC2)[C@@H]1C ZINC001423328954 956726271 /nfs/dbraw/zinc/72/62/71/956726271.db2.gz NOIGFTPOTDCFGQ-DZGCQCFKSA-N 2 0 281.444 1.706 10 0 CDAERP Cc1ccccc1C[NH2+][C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001366356911 956768175 /nfs/dbraw/zinc/76/81/75/956768175.db2.gz JKNWHKBCLMXZJM-OAHLLOKOSA-N 2 0 289.423 1.685 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001366393430 956792054 /nfs/dbraw/zinc/79/20/54/956792054.db2.gz SPKJXVUDSDQCAN-STQMWFEESA-N 2 0 271.380 1.021 10 0 CDAERP COCCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001316942407 956899107 /nfs/dbraw/zinc/89/91/07/956899107.db2.gz YSYMPTVFLJLXLG-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C(C)(C)C ZINC001423617346 956905117 /nfs/dbraw/zinc/90/51/17/956905117.db2.gz GDBRNUMDLDDTHQ-KBPBESRZSA-N 2 0 299.459 1.095 10 0 CDAERP CC[NH2+]C[C@@]1(C)CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001423634574 956912528 /nfs/dbraw/zinc/91/25/28/956912528.db2.gz FFDVGWUMKAGWBQ-GDBMZVCRSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCC[NH+]2CC2CCC2)C1 ZINC001366669992 957100124 /nfs/dbraw/zinc/10/01/24/957100124.db2.gz OZRWJYSUDUZAPH-GOEBONIOSA-N 2 0 293.455 1.709 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)CC1CCCC1 ZINC001316910005 957115829 /nfs/dbraw/zinc/11/58/29/957115829.db2.gz YPTSMCKPZKWQTJ-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP CCOCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001316984227 957174003 /nfs/dbraw/zinc/17/40/03/957174003.db2.gz GXRQYOAVCKCWNF-CQSZACIVSA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@@H](F)C[N@H+](C)CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001424324140 957204162 /nfs/dbraw/zinc/20/41/62/957204162.db2.gz BMHPSQXHTQNARA-CQSZACIVSA-N 2 0 299.434 1.611 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@H](C[N@H+](C)CC2CCC2)C1 ZINC001366865210 957235079 /nfs/dbraw/zinc/23/50/79/957235079.db2.gz KEDOGCMWLXUMKW-OAHLLOKOSA-N 2 0 281.444 1.519 10 0 CDAERP C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CCCF ZINC001424554504 957271647 /nfs/dbraw/zinc/27/16/47/957271647.db2.gz YEMVWYZNAXSEAP-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP CCCCCC[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001494577386 972261176 /nfs/dbraw/zinc/26/11/76/972261176.db2.gz PPKXWNZABZXREL-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001317260282 957385746 /nfs/dbraw/zinc/38/57/46/957385746.db2.gz PBIXQBCJVVORRG-ZIAGYGMSSA-N 2 0 269.433 1.611 10 0 CDAERP CC[C@@H](C)C[NH+]1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001494589737 972263166 /nfs/dbraw/zinc/26/31/66/972263166.db2.gz FMCNIHQISKWNQE-GFCCVEGCSA-N 2 0 255.406 1.032 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CC1=CCCCC1 ZINC001317265076 957389866 /nfs/dbraw/zinc/38/98/66/957389866.db2.gz LGTGMMQDKPZJOM-CYBMUJFWSA-N 2 0 267.417 1.533 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC=C(C)C ZINC001317449101 957484781 /nfs/dbraw/zinc/48/47/81/957484781.db2.gz WWWTVPRFPYSUGR-HNNXBMFYSA-N 2 0 281.444 1.875 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC2(C1)CCC[NH+](C(C)C)C2 ZINC001425382319 957523220 /nfs/dbraw/zinc/52/32/20/957523220.db2.gz CHXSPJQGEFCPQW-UHFFFAOYSA-N 2 0 281.444 1.659 10 0 CDAERP [NH3+]CC1CCC([NH2+]C[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC001332473985 957577798 /nfs/dbraw/zinc/57/77/98/957577798.db2.gz VLZGXOMHQDJWRM-CXQJBGSLSA-N 3 0 261.360 1.338 10 0 CDAERP CO[C@H](C)C[NH2+]CCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001317636691 957614061 /nfs/dbraw/zinc/61/40/61/957614061.db2.gz QCJYRBNZGFCTJB-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP Cc1noc(C)c1C[NH2+]CCN(C)C(=O)C[N@@H+](C)C(C)C ZINC001317663512 957628941 /nfs/dbraw/zinc/62/89/41/957628941.db2.gz GPHDKBIRADBWHO-UHFFFAOYSA-N 2 0 296.415 1.180 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@@]23CCC[C@H]2[N@H+](CCF)CC3)CC1 ZINC001425925339 957644915 /nfs/dbraw/zinc/64/49/15/957644915.db2.gz UZDZBIFIKATFHZ-CZUORRHYSA-N 2 0 297.418 1.411 10 0 CDAERP CC(C)C[N@H+](C)CCN(C(=O)[C@H]1CC[NH+](C)C1)C(C)C ZINC001426130001 957702549 /nfs/dbraw/zinc/70/25/49/957702549.db2.gz SUHZIEXJZNVTPM-HNNXBMFYSA-N 2 0 283.460 1.763 10 0 CDAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CCF ZINC001367161309 957816653 /nfs/dbraw/zinc/81/66/53/957816653.db2.gz FPEGDIRTWCOXFN-AVGNSLFASA-N 2 0 273.396 1.171 10 0 CDAERP CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cnc(C)o1)[NH+](C)C ZINC001367276034 957902978 /nfs/dbraw/zinc/90/29/78/957902978.db2.gz ZRJKHUDQCNYGAH-FZMZJTMJSA-N 2 0 296.415 1.165 10 0 CDAERP CC(C)C[NH+]1CC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001367332327 957937328 /nfs/dbraw/zinc/93/73/28/957937328.db2.gz BKSLZDAFXRVJSK-UHFFFAOYSA-N 2 0 281.444 1.519 10 0 CDAERP CC(C)OCC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001333042632 958039004 /nfs/dbraw/zinc/03/90/04/958039004.db2.gz IYALIFPEFSVNHZ-YMAMQOFZSA-N 2 0 297.443 1.085 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C[NH2+]CC1CC(C)(C)C1)[NH+](C)C ZINC001367713786 958242213 /nfs/dbraw/zinc/24/22/13/958242213.db2.gz VELWXYWFQKNDEO-TZMCWYRMSA-N 2 0 283.460 1.857 10 0 CDAERP Cc1ncsc1C[N@@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001367837159 958415368 /nfs/dbraw/zinc/41/53/68/958415368.db2.gz SMBBQACKRHJJIY-NSHDSACASA-N 2 0 298.456 1.340 10 0 CDAERP C[C@@H](C[N@H+](C)CCC1CC1)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001367840360 958421288 /nfs/dbraw/zinc/42/12/88/958421288.db2.gz XXULRBMHCJTPAB-KBPBESRZSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)C[NH2+]CCCF ZINC001319204485 958433761 /nfs/dbraw/zinc/43/37/61/958433761.db2.gz FVQVRUAFYMCHPL-CYBMUJFWSA-N 2 0 285.407 1.316 10 0 CDAERP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC1CCC(O)CC1)C2 ZINC001333608059 958450964 /nfs/dbraw/zinc/45/09/64/958450964.db2.gz YABWYPWUIROUIL-GPANFISMSA-N 2 0 266.429 1.955 10 0 CDAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]CC1=CCCCC1 ZINC001319282132 958476424 /nfs/dbraw/zinc/47/64/24/958476424.db2.gz OHYLLHYHXVDFQP-OAHLLOKOSA-N 2 0 293.455 1.925 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001368163236 958677427 /nfs/dbraw/zinc/67/74/27/958677427.db2.gz RAIFPYZSVHMQNZ-DZGCQCFKSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)[NH+]1CCC(C)(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001368209491 958702427 /nfs/dbraw/zinc/70/24/27/958702427.db2.gz WRHIDAWAXHLBNK-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCC(C)C)C1 ZINC001368268681 958740310 /nfs/dbraw/zinc/74/03/10/958740310.db2.gz IJCZPCLBOXCLIM-HUUCEWRRSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001368349361 958781270 /nfs/dbraw/zinc/78/12/70/958781270.db2.gz XBMZZQCGFRPRQV-LSDHHAIUSA-N 2 0 283.460 1.809 10 0 CDAERP CC(C)[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001368641494 959013660 /nfs/dbraw/zinc/01/36/60/959013660.db2.gz QXAVEDKWHVDKHK-UONOGXRCSA-N 2 0 281.444 1.754 10 0 CDAERP CCCC[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001320283459 959051203 /nfs/dbraw/zinc/05/12/03/959051203.db2.gz NOKDPWDFHANCCF-HUUCEWRRSA-N 2 0 299.459 1.118 10 0 CDAERP CC[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1ncc(C)o1)[NH+](C)C ZINC001368743591 959098521 /nfs/dbraw/zinc/09/85/21/959098521.db2.gz NLBFFDBTLUFRMR-WCQYABFASA-N 2 0 296.415 1.308 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CCO)[NH+](CC)CC ZINC001368805044 959147163 /nfs/dbraw/zinc/14/71/63/959147163.db2.gz XYDWRGGHTNNQPJ-HUUCEWRRSA-N 2 0 299.459 1.022 10 0 CDAERP C[C@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]Cc1cccnc1 ZINC001368885917 959228322 /nfs/dbraw/zinc/22/83/22/959228322.db2.gz PJSVDFLEXBGHLY-KBPBESRZSA-N 2 0 292.427 1.406 10 0 CDAERP CCC[NH2+]CCN(CC)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001320891577 959443362 /nfs/dbraw/zinc/44/33/62/959443362.db2.gz MGALPZLOBLQGMP-ZDUSSCGKSA-N 2 0 255.406 1.176 10 0 CDAERP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]CC1CC(C)C1 ZINC001369350019 959640476 /nfs/dbraw/zinc/64/04/76/959640476.db2.gz AOJPBZYUPMOVLT-SLTAFYQDSA-N 2 0 281.444 1.565 10 0 CDAERP CC[NH2+]CCC1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001495415856 972493015 /nfs/dbraw/zinc/49/30/15/972493015.db2.gz OZRWLYMMTYJGIN-MRXNPFEDSA-N 2 0 293.455 1.566 10 0 CDAERP CCC[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001322580546 960265519 /nfs/dbraw/zinc/26/55/19/960265519.db2.gz JXIPUPUOEJPBNP-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@@H](F)C[NH2+]CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001322834345 960335766 /nfs/dbraw/zinc/33/57/66/960335766.db2.gz BGCPYRFGSJVLDQ-CYBMUJFWSA-N 2 0 273.396 1.268 10 0 CDAERP CC[C@H](F)C[NH2+]CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001322834347 960338184 /nfs/dbraw/zinc/33/81/84/960338184.db2.gz BGCPYRFGSJVLDQ-ZDUSSCGKSA-N 2 0 273.396 1.268 10 0 CDAERP CCCC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001323111030 960459762 /nfs/dbraw/zinc/45/97/62/960459762.db2.gz ZOAMBTWTQOWIMA-KBPBESRZSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]CCF)CC1 ZINC001495482228 972517131 /nfs/dbraw/zinc/51/71/31/972517131.db2.gz QREMKVGYDSJEMA-JOCQHMNTSA-N 2 0 273.396 1.313 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001418706995 960927033 /nfs/dbraw/zinc/92/70/33/960927033.db2.gz XUXNMPGZTVYLGS-XGUBFFRZSA-N 2 0 299.434 1.561 10 0 CDAERP C[C@H](CN1CCOCC1)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC001434485272 961507353 /nfs/dbraw/zinc/50/73/53/961507353.db2.gz LUDDVRMNWRFDQI-HOTGVXAUSA-N 2 0 283.460 1.371 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001419423633 961683612 /nfs/dbraw/zinc/68/36/12/961683612.db2.gz RFIWLKPNZMCMNF-HUUCEWRRSA-N 2 0 299.434 1.657 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC1CC1 ZINC001419668018 961943787 /nfs/dbraw/zinc/94/37/87/961943787.db2.gz PTKWVIIBYCGRDA-HIFRSBDPSA-N 2 0 281.444 1.707 10 0 CDAERP CCC[N@H+](CCO)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001436464092 962268466 /nfs/dbraw/zinc/26/84/66/962268466.db2.gz IANTZTOVNUUGPH-HNNXBMFYSA-N 2 0 299.459 1.024 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]([NH2+]C/C=C\Cl)C2CC2)C1 ZINC001436824197 962438572 /nfs/dbraw/zinc/43/85/72/962438572.db2.gz CNVXKNVTAYVHSH-VAUITZSSSA-N 2 0 285.819 1.175 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CC[N@H+](C)CC1CC1 ZINC001420061437 962439194 /nfs/dbraw/zinc/43/91/94/962439194.db2.gz LFFDYZZNXQHGIH-ZIAGYGMSSA-N 2 0 281.444 1.659 10 0 CDAERP CO[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001436956419 962526917 /nfs/dbraw/zinc/52/69/17/962526917.db2.gz VJTXWLYFMQODPT-KBXIAJHMSA-N 2 0 297.443 1.133 10 0 CDAERP CC[C@H](C[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCCC1)OC ZINC001420490472 962970426 /nfs/dbraw/zinc/97/04/26/962970426.db2.gz BCNFZNRMWJWAEJ-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CC[NH+](CCF)C1 ZINC001420525579 963007159 /nfs/dbraw/zinc/00/71/59/963007159.db2.gz DGDUEYJNPSTWEH-UONOGXRCSA-N 2 0 285.407 1.268 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)CC1CCC1 ZINC001437620123 963071167 /nfs/dbraw/zinc/07/11/67/963071167.db2.gz UADDBMHHPFKLMX-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CC1CC1 ZINC001420573494 963080601 /nfs/dbraw/zinc/08/06/01/963080601.db2.gz VWKQUKVFBNDXRZ-HIFRSBDPSA-N 2 0 281.444 1.706 10 0 CDAERP CC(C)C[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001420739271 963215784 /nfs/dbraw/zinc/21/57/84/963215784.db2.gz BHOBEBXFAWWNGF-HUUCEWRRSA-N 2 0 281.444 1.611 10 0 CDAERP CCCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCC)C1 ZINC001437898252 963225227 /nfs/dbraw/zinc/22/52/27/963225227.db2.gz BCTXVPXPGDNUPK-LSDHHAIUSA-N 2 0 281.444 1.661 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC[C@@H]1CC[NH+](CC2CC2)C1 ZINC001437956814 963259258 /nfs/dbraw/zinc/25/92/58/963259258.db2.gz HDZISBDXWPYFJU-OAHLLOKOSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001437979395 963266544 /nfs/dbraw/zinc/26/65/44/963266544.db2.gz SKBWVRAONBCWRX-CVEARBPZSA-N 2 0 295.471 1.907 10 0 CDAERP CC[C@@H](C)C[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001437991111 963275056 /nfs/dbraw/zinc/27/50/56/963275056.db2.gz KYCJIPFUMHAJPF-HUUCEWRRSA-N 2 0 283.460 1.765 10 0 CDAERP C[NH+](C)CCCC(=O)NCC1C[NH+](Cc2ccsc2)C1 ZINC001438134977 963337293 /nfs/dbraw/zinc/33/72/93/963337293.db2.gz QQFXYGQYARFMKT-UHFFFAOYSA-N 2 0 295.452 1.638 10 0 CDAERP CC(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001420948351 963378826 /nfs/dbraw/zinc/37/88/26/963378826.db2.gz KBSDQPJRVPHKAS-LSDHHAIUSA-N 2 0 281.444 1.374 10 0 CDAERP CC[C@H](C)C[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001420991836 963405958 /nfs/dbraw/zinc/40/59/58/963405958.db2.gz CCZJDIXRRFWZRT-UONOGXRCSA-N 2 0 281.444 1.613 10 0 CDAERP COC[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001438445314 963451191 /nfs/dbraw/zinc/45/11/91/963451191.db2.gz VYFLONVQIQPPKA-KKUMJFAQSA-N 2 0 297.443 1.134 10 0 CDAERP Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001421271566 963529993 /nfs/dbraw/zinc/52/99/93/963529993.db2.gz JIZNVIMUKJGFNJ-MRXNPFEDSA-N 2 0 289.423 1.637 10 0 CDAERP C[C@H]([NH2+]CC1CCC1)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001438852908 963574161 /nfs/dbraw/zinc/57/41/61/963574161.db2.gz RQHGBFDAKVYOJR-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC1CCCC1 ZINC001421384574 963583046 /nfs/dbraw/zinc/58/30/46/963583046.db2.gz RMMAPIDVILQPEM-CABCVRRESA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001439239699 963687793 /nfs/dbraw/zinc/68/77/93/963687793.db2.gz QSCZUBYLSQMIDW-AVGNSLFASA-N 2 0 273.396 1.313 10 0 CDAERP COCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001439378516 963745144 /nfs/dbraw/zinc/74/51/44/963745144.db2.gz KEDQYMRPUVLKFE-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC(C)(C)C)CC1 ZINC001439592183 963813922 /nfs/dbraw/zinc/81/39/22/963813922.db2.gz DTZKKPOZZHBULO-ZDUSSCGKSA-N 2 0 281.444 1.755 10 0 CDAERP COC[C@@H](C)[NH+]1CCC(C)(NC(=O)C[NH+]2CCCC2)CC1 ZINC001439805699 963865599 /nfs/dbraw/zinc/86/55/99/963865599.db2.gz MNHRAMBXXLHEIC-CQSZACIVSA-N 2 0 297.443 1.088 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2C[C@H]([NH2+]CC3CC3)C2)C1 ZINC001440380093 964006678 /nfs/dbraw/zinc/00/66/78/964006678.db2.gz WGPZUQRUZMHLTL-RBSFLKMASA-N 2 0 279.428 1.223 10 0 CDAERP CC(C)C[N@H+](C)CCCN(C)C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001440475059 964071444 /nfs/dbraw/zinc/07/14/44/964071444.db2.gz CQSQLSLEGBDRBM-KRWDZBQOSA-N 2 0 295.471 1.909 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCC(C)C)[C@@H]1C ZINC001440488786 964082136 /nfs/dbraw/zinc/08/21/36/964082136.db2.gz JBOQYSORPJGYMI-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+](C)CCC1CC1 ZINC001440974273 964301259 /nfs/dbraw/zinc/30/12/59/964301259.db2.gz TXPXVJSXCFGCCK-ZIAGYGMSSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)CC[NH+]1CC([C@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001441205738 964419914 /nfs/dbraw/zinc/41/99/14/964419914.db2.gz KSXHKROMLCRWEK-GJZGRUSLSA-N 2 0 295.471 1.811 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCCC[NH+]2CCCF)C1 ZINC001441655394 964636557 /nfs/dbraw/zinc/63/65/57/964636557.db2.gz YARUVPXVLGDKQF-LSDHHAIUSA-N 2 0 299.434 1.659 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]CCC(C)C)CC[N@@H+]1C ZINC001441873858 964762347 /nfs/dbraw/zinc/76/23/47/964762347.db2.gz XETNVVQKBUHTLS-SOUVJXGZSA-N 2 0 283.460 1.857 10 0 CDAERP C[NH2+][C@H](C)CCNC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC001345810516 964823715 /nfs/dbraw/zinc/82/37/15/964823715.db2.gz RPYLQJAGFGCMRW-FRRDWIJNSA-N 2 0 255.406 1.398 10 0 CDAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC=C(Cl)Cl ZINC001442050316 964847656 /nfs/dbraw/zinc/84/76/56/964847656.db2.gz MIGIMTFLFVVIIM-JTQLQIEISA-N 2 0 294.226 1.496 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1cccnc1 ZINC001442067583 964852538 /nfs/dbraw/zinc/85/25/38/964852538.db2.gz PQPCKOLQKCHJHP-ZDUSSCGKSA-N 2 0 278.400 1.016 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]CCC1CCOCC1 ZINC001442068047 964852649 /nfs/dbraw/zinc/85/26/49/964852649.db2.gz QVFOZFJGEMAVRJ-CQSZACIVSA-N 2 0 299.459 1.238 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CC2CC(C)C2)C1 ZINC001442157830 964892065 /nfs/dbraw/zinc/89/20/65/964892065.db2.gz VJBCZQWACADPHJ-PCKAHOCUSA-N 2 0 295.471 1.811 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)CC2CCCC2)CC[N@@H+]1C ZINC001442414672 965051176 /nfs/dbraw/zinc/05/11/76/965051176.db2.gz RCVCBAINICUARP-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)CC[C@H](C)F ZINC001442727301 965191831 /nfs/dbraw/zinc/19/18/31/965191831.db2.gz NGYSJUBHTNQGED-ZDUSSCGKSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001443274763 965423193 /nfs/dbraw/zinc/42/31/93/965423193.db2.gz SRCTWKWVSZZXRZ-CABCVRRESA-N 2 0 281.444 1.422 10 0 CDAERP CCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001443865635 965640093 /nfs/dbraw/zinc/64/00/93/965640093.db2.gz BTXVRPRKRCWSEC-OAHLLOKOSA-N 2 0 279.428 1.415 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001444673417 965919837 /nfs/dbraw/zinc/91/98/37/965919837.db2.gz UCFYHCWKIBISRO-HUUCEWRRSA-N 2 0 283.460 1.907 10 0 CDAERP CCCC[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001444992264 966044886 /nfs/dbraw/zinc/04/48/86/966044886.db2.gz ZCIZGQMTWPSAGR-LSDHHAIUSA-N 2 0 283.460 1.907 10 0 CDAERP C[C@H](C[NH2+]Cc1cccnc1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001445473363 966204361 /nfs/dbraw/zinc/20/43/61/966204361.db2.gz IEMHMMFKNKZFOL-KGLIPLIRSA-N 2 0 290.411 1.018 10 0 CDAERP CC(C)C[C@H](C)C[NH2+]C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001445480187 966206350 /nfs/dbraw/zinc/20/63/50/966206350.db2.gz IMEWJCXYVDPDLQ-LSDHHAIUSA-N 2 0 295.471 1.859 10 0 CDAERP C[C@H](C[NH2+]Cc1ccc(F)cc1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001445500524 966211979 /nfs/dbraw/zinc/21/19/79/966211979.db2.gz LXRHSFATUXEEBX-TZMCWYRMSA-N 2 0 293.386 1.372 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@]1(C)CCN(Cc2cscn2)C1 ZINC001446563925 966584143 /nfs/dbraw/zinc/58/41/43/966584143.db2.gz QVKSAUIODORVPN-AWEZNQCLSA-N 2 0 296.440 1.175 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]CCC2CC2)C1 ZINC001446949886 966667979 /nfs/dbraw/zinc/66/79/79/966667979.db2.gz UCOUHOOVLKDLIL-ZBFHGGJFSA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+][C@H](C)COC)[NH+](C)C ZINC001447168274 966714617 /nfs/dbraw/zinc/71/46/17/966714617.db2.gz JAGAKUUOYPJMOK-RBSFLKMASA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)CC[N@H+](C)[C@@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001448129384 967007203 /nfs/dbraw/zinc/00/72/03/967007203.db2.gz FLABGDKHMKKYCO-LSDHHAIUSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)[N@H+](C)CCCNC(=O)CC[NH+]1CC[C@H](F)C1 ZINC001543605108 967312198 /nfs/dbraw/zinc/31/21/98/967312198.db2.gz HOIPKXVXQUKUOQ-ZDUSSCGKSA-N 2 0 273.396 1.267 10 0 CDAERP C[C@@H]1[C@@H]([NH2+]Cc2cccnc2)CCN1C(=O)CC[NH+](C)C ZINC001448984430 967324841 /nfs/dbraw/zinc/32/48/41/967324841.db2.gz ONZCXGHAOXJJKQ-HIFRSBDPSA-N 2 0 290.411 1.112 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@@H]1[NH+](CC1CC1)CC2 ZINC001449012574 967335302 /nfs/dbraw/zinc/33/53/02/967335302.db2.gz KRCWRAJZFCVDIQ-RDJZCZTQSA-N 2 0 293.455 1.851 10 0 CDAERP CC[NH2+]Cc1ccc(CNC(=O)C[NH+]2CCCC2)c(F)c1 ZINC001449413646 967455601 /nfs/dbraw/zinc/45/56/01/967455601.db2.gz DXIJUIGVQIGMFK-UHFFFAOYSA-N 2 0 293.386 1.647 10 0 CDAERP CC[N@@H+]1CCCN(C(=O)CC[NH+]2CC[C@@H](F)C2)[C@@H](C)C1 ZINC001450979329 967863416 /nfs/dbraw/zinc/86/34/16/967863416.db2.gz QMMWIWTWIIXANV-UONOGXRCSA-N 2 0 285.407 1.363 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC001451094016 967893765 /nfs/dbraw/zinc/89/37/65/967893765.db2.gz YSRLHDRLCUDDGS-ZIAGYGMSSA-N 2 0 269.433 1.422 10 0 CDAERP C[NH+]1CCC(C(=O)Nc2ccc3c[nH+]cn3c2)CC1 ZINC001456442330 968974455 /nfs/dbraw/zinc/97/44/55/968974455.db2.gz BXVVTQZUFZHBRV-UHFFFAOYSA-N 2 0 258.325 1.615 10 0 CDAERP CC[NH+](CC)CC[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001529415280 969039672 /nfs/dbraw/zinc/03/96/72/969039672.db2.gz NGOAWKLKHWIJPG-CYBMUJFWSA-N 2 0 257.422 1.563 10 0 CDAERP CC(C)[N@H+](C)C[C@@H](O)CN1CC[NH+](C2CCCC2)[C@@H](C)C1 ZINC001460776649 969540646 /nfs/dbraw/zinc/54/06/46/969540646.db2.gz HXUBJBFCUWTQKW-DOTOQJQBSA-N 2 0 297.487 1.636 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)[C@H](C)CC[NH+](C)C ZINC001464880094 969829058 /nfs/dbraw/zinc/82/90/58/969829058.db2.gz HYVXNAFFUDDPQQ-OLZOCXBDSA-N 2 0 257.422 1.421 10 0 CDAERP O[C@H]1CC[N@@H+](C2CC[NH+](CC3(O)CCCCCC3)CC2)C1 ZINC001414018536 969849199 /nfs/dbraw/zinc/84/91/99/969849199.db2.gz NYDSBVAIHSMPMG-INIZCTEOSA-N 2 0 296.455 1.603 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)NCC2=CC[N@H+](C)CC2)CC1 ZINC001546154849 969930022 /nfs/dbraw/zinc/93/00/22/969930022.db2.gz PVJVSACUZSGWJR-UHFFFAOYSA-N 2 0 293.455 1.733 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]CC[C@H]1CCCCO1 ZINC001480595763 970074745 /nfs/dbraw/zinc/07/47/45/970074745.db2.gz DERJDFQOVAEQCA-HUUCEWRRSA-N 2 0 299.459 1.380 10 0 CDAERP C[C@H](CNC(=O)C12CCC[NH+]1CCC2)C[NH2+]C/C=C/Cl ZINC001495696316 972598908 /nfs/dbraw/zinc/59/89/08/972598908.db2.gz LSWWMGFCJMJECB-LVDDQXARSA-N 2 0 299.846 1.709 10 0 CDAERP CC(C)[C@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+]CCCF ZINC001496573245 972977018 /nfs/dbraw/zinc/97/70/18/972977018.db2.gz BEFQTCFTNZRAGB-AWEZNQCLSA-N 2 0 299.434 1.705 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001569653774 1169956182 /nfs/dbraw/zinc/95/61/82/1169956182.db2.gz UOAXWYAQBPQCIM-KAWBWNIXSA-N 2 0 293.455 1.875 10 0 CDAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H](C)CC[NH+](C)C)C1 ZINC001417600384 973185022 /nfs/dbraw/zinc/18/50/22/973185022.db2.gz MAODNBRDGCHINZ-CABCVRRESA-N 2 0 299.459 1.047 10 0 CDAERP CC[C@H](F)C[NH2+]CCN(CC)C(=O)C1([NH+](C)C)CCC1 ZINC001497401516 973332308 /nfs/dbraw/zinc/33/23/08/973332308.db2.gz UNYRQHPCYWVTBU-ZDUSSCGKSA-N 2 0 287.423 1.657 10 0 CDAERP CCN(CC[NH2+]C/C=C\Cl)C(=O)C[N@H+](C)C1CCC1 ZINC001497401237 973334452 /nfs/dbraw/zinc/33/44/52/973334452.db2.gz RDNQRHQVHREICG-YVMONPNESA-N 2 0 287.835 1.661 10 0 CDAERP CCN(CC[NH2+]CC=C(C)C)C(=O)C[NH+]1CCCC1 ZINC001497495326 973366325 /nfs/dbraw/zinc/36/63/25/973366325.db2.gz DHLFXMKYNFSWGW-UHFFFAOYSA-N 2 0 267.417 1.487 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC1CC1 ZINC001497578376 973416559 /nfs/dbraw/zinc/41/65/59/973416559.db2.gz HTXVVRAVURXZOG-ABCZVMIZSA-N 2 0 279.428 1.531 10 0 CDAERP CC(C)[NH2+]C/C=C\CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001497721947 973478265 /nfs/dbraw/zinc/47/82/65/973478265.db2.gz HUVXZRFGBOZPJQ-ARJAWSKDSA-N 2 0 293.455 1.779 10 0 CDAERP CC[C@@H](C(=O)N(C)[C@H]1CC[N@H+](CCC(C)C)C1)[NH+](C)C ZINC001373691037 973570660 /nfs/dbraw/zinc/57/06/60/973570660.db2.gz ROLBRFDPUCVPDW-GJZGRUSLSA-N 2 0 283.460 1.905 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ocnc2C)C1 ZINC001418106375 973588878 /nfs/dbraw/zinc/58/88/78/973588878.db2.gz HFIYJQWLUPDSMY-BETUJISGSA-N 2 0 294.399 1.062 10 0 CDAERP CC(C)OCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001498353696 973849462 /nfs/dbraw/zinc/84/94/62/973849462.db2.gz BRQOXIFPYJXCHH-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)C[NH+](C)CC)C1 ZINC001498366269 973863268 /nfs/dbraw/zinc/86/32/68/973863268.db2.gz PDICRRCJJGRQGI-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP CC/C=C\CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001498450747 973922122 /nfs/dbraw/zinc/92/21/22/973922122.db2.gz TUARLSVLJCEBRJ-BEWKBBBFSA-N 2 0 281.444 1.731 10 0 CDAERP CC[C@@H](F)C[NH2+]CCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001498641735 974007494 /nfs/dbraw/zinc/00/74/94/974007494.db2.gz ODANFVLOWLISAR-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@H](F)CC[NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001498655566 974013846 /nfs/dbraw/zinc/01/38/46/974013846.db2.gz RLDCBRNOIHTTIE-STQMWFEESA-N 2 0 273.396 1.124 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001374962803 974191555 /nfs/dbraw/zinc/19/15/55/974191555.db2.gz LOJQPNCFJUUYCK-UONOGXRCSA-N 2 0 299.459 1.238 10 0 CDAERP CC(C)=CC[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001499425815 974253353 /nfs/dbraw/zinc/25/33/53/974253353.db2.gz WXBQEIKHXGILPS-AWEZNQCLSA-N 2 0 281.444 1.777 10 0 CDAERP CC(C)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H](C)C1 ZINC001499857884 974316871 /nfs/dbraw/zinc/31/68/71/974316871.db2.gz OWYBXZSGIAZTCO-GJZGRUSLSA-N 2 0 283.460 1.952 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCF ZINC001499930443 974337303 /nfs/dbraw/zinc/33/73/03/974337303.db2.gz ZIIAZCZVPZCUHJ-GJZGRUSLSA-N 2 0 299.434 1.799 10 0 CDAERP CC[C@@H](C(=O)NC[C@H]1CC[N@@H+]1CC1CC(C)(C)C1)[NH+](C)C ZINC001375364604 974352116 /nfs/dbraw/zinc/35/21/16/974352116.db2.gz QELQJQLHJMUTGQ-CABCVRRESA-N 2 0 295.471 1.953 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@H](F)CC)CC1 ZINC001375425289 974378865 /nfs/dbraw/zinc/37/88/65/974378865.db2.gz OBTZZMSDPUIAJF-KGLIPLIRSA-N 2 0 299.434 1.847 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001375531198 974415332 /nfs/dbraw/zinc/41/53/32/974415332.db2.gz QTOTWRCBYMQWPJ-OLZOCXBDSA-N 2 0 287.423 1.559 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001375544478 974418745 /nfs/dbraw/zinc/41/87/45/974418745.db2.gz SVVFCOKBJVAPAZ-VGWMRTNUSA-N 2 0 295.471 1.859 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC)CC(C)(C)C1)[NH+](C)C ZINC001375690226 974455954 /nfs/dbraw/zinc/45/59/54/974455954.db2.gz STUUTPICJGGVJO-UONOGXRCSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)CCC[NH+]1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001375698391 974458294 /nfs/dbraw/zinc/45/82/94/974458294.db2.gz ZQOMRJYSXLHDDI-UHFFFAOYSA-N 2 0 295.471 1.907 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCCC1 ZINC001375793689 974479447 /nfs/dbraw/zinc/47/94/47/974479447.db2.gz OHVVUHCPQZJSAN-YUELXQCFSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@@]2(C)CC[NH+](CCCF)C2)C1 ZINC001375845903 974494170 /nfs/dbraw/zinc/49/41/70/974494170.db2.gz RWWVFRZTUPUXEL-HIFRSBDPSA-N 2 0 285.407 1.268 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CC1CC1)CC2 ZINC001501746157 974633775 /nfs/dbraw/zinc/63/37/75/974633775.db2.gz CQWNCEIHJVWHRD-UHFFFAOYSA-N 2 0 293.455 1.663 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCO[C@@H](C[NH2+]CC=C(C)C)C1 ZINC001502085368 974690365 /nfs/dbraw/zinc/69/03/65/974690365.db2.gz WXAHHFZSPRRUQG-HNNXBMFYSA-N 2 0 297.443 1.111 10 0 CDAERP C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1[NH2+]CCCF ZINC001502745041 974774741 /nfs/dbraw/zinc/77/47/41/974774741.db2.gz OKEIGRLTYRFADM-ZFWWWQNUSA-N 2 0 299.434 1.514 10 0 CDAERP CC(C)[C@H](C(=O)NCC[N@H+](C)CC1CCC1)[NH+]1CCCC1 ZINC001377277691 974954816 /nfs/dbraw/zinc/95/48/16/974954816.db2.gz UTZHXEHSRVUYOC-MRXNPFEDSA-N 2 0 295.471 1.955 10 0 CDAERP Cc1ccncc1C[NH2+][C@H](C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001505686952 974963665 /nfs/dbraw/zinc/96/36/65/974963665.db2.gz WZPMZPARAUPUST-KGLIPLIRSA-N 2 0 292.427 1.325 10 0 CDAERP C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)[NH2+]CCF ZINC001505694580 974966184 /nfs/dbraw/zinc/96/61/84/974966184.db2.gz PMLVZJCROTYJCB-NWDGAFQWSA-N 2 0 275.412 1.417 10 0 CDAERP CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001505848225 975001203 /nfs/dbraw/zinc/00/12/03/975001203.db2.gz NAUCDKVGAXDVHD-ZDUSSCGKSA-N 2 0 269.433 1.422 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CC[NH+](C/C=C\Cl)C2)C1 ZINC001377473346 975040575 /nfs/dbraw/zinc/04/05/75/975040575.db2.gz ZDBQSWPQRDBKRS-UQYDRJLZSA-N 2 0 299.846 1.519 10 0 CDAERP CC[C@@H](C(=O)NC[C@H]1CC[N@H+](CC2CCCC2)C1)[NH+](C)C ZINC001377472932 975041541 /nfs/dbraw/zinc/04/15/41/975041541.db2.gz YIHZLCKUAWFQQM-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@H+](CCF)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001377488217 975050614 /nfs/dbraw/zinc/05/06/14/975050614.db2.gz XWJNQIVGUYLHCL-AWEZNQCLSA-N 2 0 285.407 1.126 10 0 CDAERP C[C@H]([NH2+]CCF)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001377616897 975087786 /nfs/dbraw/zinc/08/77/86/975087786.db2.gz POKXROHBJQMSFI-LBPRGKRZSA-N 2 0 273.396 1.124 10 0 CDAERP COC[C@@H](C)[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)C(C)C ZINC001377680294 975109517 /nfs/dbraw/zinc/10/95/17/975109517.db2.gz TYKZVGJFFDBPCP-HUUCEWRRSA-N 2 0 299.459 1.284 10 0 CDAERP CC[C@H](F)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001506750526 975216740 /nfs/dbraw/zinc/21/67/40/975216740.db2.gz ZPKCDJAMTROHKH-QWHCGFSZSA-N 2 0 287.423 1.513 10 0 CDAERP CCCC[N@H+](C)[C@@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001378173446 975271795 /nfs/dbraw/zinc/27/17/95/975271795.db2.gz LYLPFARNDGWHFF-AWEZNQCLSA-N 2 0 299.459 1.334 10 0 CDAERP CC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+](C)C(C)C)CC2 ZINC001378518285 975373847 /nfs/dbraw/zinc/37/38/47/975373847.db2.gz KMMOTNRIMPPRFF-UHFFFAOYSA-N 2 0 281.444 1.661 10 0 CDAERP CC(C)=CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC001507290658 975400747 /nfs/dbraw/zinc/40/07/47/975400747.db2.gz PBEVSEKCGYABGH-ZBFHGGJFSA-N 2 0 293.455 1.873 10 0 CDAERP C[NH+](C)CCC(=O)NCC[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001404521529 975414572 /nfs/dbraw/zinc/41/45/72/975414572.db2.gz RRRXISSWKCHQPQ-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP CCC[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)CC)CCC[C@@H]12 ZINC001507350889 975426343 /nfs/dbraw/zinc/42/63/43/975426343.db2.gz CKDHBDBJCDWYRQ-ZBFHGGJFSA-N 2 0 281.444 1.851 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]C(C)C)[C@@H]2C1 ZINC001507362408 975430480 /nfs/dbraw/zinc/43/04/80/975430480.db2.gz GRGXERXRYIZBCY-ARFHVFGLSA-N 2 0 295.471 1.953 10 0 CDAERP CC[NH2+][C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC1(C)C ZINC001507453140 975474441 /nfs/dbraw/zinc/47/44/41/975474441.db2.gz BESXBNUEXDDWHN-LBPRGKRZSA-N 2 0 255.406 1.173 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1CC[N@H+](CC2CC2)[C@@H]1C ZINC001397241046 975509954 /nfs/dbraw/zinc/50/99/54/975509954.db2.gz LNGGKKWVQJQDBP-YUELXQCFSA-N 2 0 299.434 1.655 10 0 CDAERP CC(C)C[N@H+](C)CCN(C(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001507855285 975548677 /nfs/dbraw/zinc/54/86/77/975548677.db2.gz PQEOOANNRHZCCU-UHFFFAOYSA-N 2 0 295.471 1.907 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CCC(F)(F)F ZINC001388818340 975607537 /nfs/dbraw/zinc/60/75/37/975607537.db2.gz XBVBDOJRKSZRTJ-MNOVXSKESA-N 2 0 295.349 1.470 10 0 CDAERP CCN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](C[C@@H](C)OC)C1 ZINC001405188566 975665080 /nfs/dbraw/zinc/66/50/80/975665080.db2.gz DNTKBJFZILVZKQ-CABCVRRESA-N 2 0 297.443 1.040 10 0 CDAERP CC(C)[NH2+][C@@H]1CC[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001397727802 975691453 /nfs/dbraw/zinc/69/14/53/975691453.db2.gz SHGOLQNVBNXISC-RRFJBIMHSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)CC[N@H+](C)CCN(C)C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001401537629 975696005 /nfs/dbraw/zinc/69/60/05/975696005.db2.gz ZWUYKZYCZDJYST-KRWDZBQOSA-N 2 0 295.471 1.909 10 0 CDAERP CC[C@H](C(=O)NC[C@H](CC)[NH2+]Cc1cccnc1)[NH+](C)C ZINC001405271022 975699567 /nfs/dbraw/zinc/69/95/67/975699567.db2.gz SQMRFRSHODHNRY-LSDHHAIUSA-N 2 0 292.427 1.406 10 0 CDAERP CCCC[N@@H+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001389466014 975849599 /nfs/dbraw/zinc/84/95/99/975849599.db2.gz ZGNBOCLEILCACA-CABCVRRESA-N 2 0 281.444 1.851 10 0 CDAERP C[C@@H](C[NH2+]CC1CCCC1)N(C)C(=O)C[NH+]1CCCC1 ZINC001405890724 975925180 /nfs/dbraw/zinc/92/51/80/975925180.db2.gz MFZLOOQRGOFPLC-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]([NH2+]CCF)C1CC1 ZINC001398400918 975974270 /nfs/dbraw/zinc/97/42/70/975974270.db2.gz PONRLJGAXQBKFH-KBPBESRZSA-N 2 0 285.407 1.315 10 0 CDAERP CCCC[N@@H+]1CC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001401893362 975982351 /nfs/dbraw/zinc/98/23/51/975982351.db2.gz WBFLCCJQELRBOI-HUUCEWRRSA-N 2 0 281.444 1.851 10 0 CDAERP C[C@@H](C[N@H+](C)CC1CC1)NC(=O)CC[C@H]1CCC[NH+]1C ZINC001379693640 976014034 /nfs/dbraw/zinc/01/40/34/976014034.db2.gz SJCFRZZVRABDGC-DZGCQCFKSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001389891003 976034664 /nfs/dbraw/zinc/03/46/64/976034664.db2.gz XWLACCCYPBXXSS-KKUMJFAQSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCF ZINC001398592230 976063888 /nfs/dbraw/zinc/06/38/88/976063888.db2.gz OBFWEVRNCNNKTN-AGUYFDCRSA-N 2 0 285.407 1.408 10 0 CDAERP O=C(CCc1c[nH]cn1)N[C@H]1C[C@@H]([NH2+]CC2CCC2)C1 ZINC001389984709 976074398 /nfs/dbraw/zinc/07/43/98/976074398.db2.gz VKZFLMHTFRLIJL-OKILXGFUSA-N 2 0 276.384 1.379 10 0 CDAERP CO[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001398666914 976096991 /nfs/dbraw/zinc/09/69/91/976096991.db2.gz OLRSZHHLAUMJBR-SOUVJXGZSA-N 2 0 297.443 1.134 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccsc1 ZINC001390302963 976215199 /nfs/dbraw/zinc/21/51/99/976215199.db2.gz GEVIBKSTLBEEKC-DGCLKSJQSA-N 2 0 281.425 1.437 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C[N@H+](C)Cc1cccnc1)[NH+](C)C ZINC001406620505 976307652 /nfs/dbraw/zinc/30/76/52/976307652.db2.gz KJKOSGKABCBFKQ-UKRRQHHQSA-N 2 0 292.427 1.358 10 0 CDAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CCC1CCCC1 ZINC001390515023 976343584 /nfs/dbraw/zinc/34/35/84/976343584.db2.gz VQAGDHKJRQFWER-AWEZNQCLSA-N 2 0 293.455 1.757 10 0 CDAERP CC(C)OCC[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001399296797 976418147 /nfs/dbraw/zinc/41/81/47/976418147.db2.gz ZLQHBQLKONDYMJ-HNNXBMFYSA-N 2 0 299.459 1.286 10 0 CDAERP CC(C)CC[NH2+][C@H](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001399319418 976439386 /nfs/dbraw/zinc/43/93/86/976439386.db2.gz RKLSXFZFUNQIQW-ZBFHGGJFSA-N 2 0 295.471 1.859 10 0 CDAERP CCC(CC)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001390719633 976452633 /nfs/dbraw/zinc/45/26/33/976452633.db2.gz OXYUVFOSLVAPIQ-DZGCQCFKSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@H]([NH2+]CCF)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001380669774 976507593 /nfs/dbraw/zinc/50/75/93/976507593.db2.gz QTDQYHDDKGTWRK-UONOGXRCSA-N 2 0 299.434 1.657 10 0 CDAERP CC[C@H](C[N@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)C)OC ZINC001402946125 976607910 /nfs/dbraw/zinc/60/79/10/976607910.db2.gz ZXPBWPMQLYQPPH-HUUCEWRRSA-N 2 0 299.459 1.286 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC[N@@H+](C)CC2CCC2)C1 ZINC001399648219 976620983 /nfs/dbraw/zinc/62/09/83/976620983.db2.gz XFRZEZKPAFWQLP-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1cncs1 ZINC001402973201 976633770 /nfs/dbraw/zinc/63/37/70/976633770.db2.gz CJPWBIQUKONEPZ-NSHDSACASA-N 2 0 296.440 1.079 10 0 CDAERP CC[N@H+](CCNC(=O)C[NH+](C)C(C)C)C[C@@H]1CCCOC1 ZINC001391026733 976653398 /nfs/dbraw/zinc/65/33/98/976653398.db2.gz YTTNNYVUKDISRW-HNNXBMFYSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CCCF)C1 ZINC001569824439 1170006613 /nfs/dbraw/zinc/00/66/13/1170006613.db2.gz QZUKZTHFOWFEHF-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@H]([NH2+]CCC1CC1)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001407559376 976697802 /nfs/dbraw/zinc/69/78/02/976697802.db2.gz SDBPWWIHIQRFCM-GOEBONIOSA-N 2 0 293.455 1.709 10 0 CDAERP C[N@H+](C/C=C\Cl)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001403273169 976848278 /nfs/dbraw/zinc/84/82/78/976848278.db2.gz JJASBNXTAZVXLJ-GMOCCLDISA-N 2 0 299.846 1.756 10 0 CDAERP CCC1([NH2+]CCF)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001407994011 976862071 /nfs/dbraw/zinc/86/20/71/976862071.db2.gz DELKQHYRGSBLOM-AWEZNQCLSA-N 2 0 299.434 1.659 10 0 CDAERP CC[NH2+]C1(CC)CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001408004392 976865070 /nfs/dbraw/zinc/86/50/70/976865070.db2.gz XDDPNGXGJGLUGV-UHFFFAOYSA-N 2 0 281.444 1.851 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)Cc1ccsc1 ZINC001381502833 976871610 /nfs/dbraw/zinc/87/16/10/976871610.db2.gz QUKZPTNHBOJBTG-JSGCOSHPSA-N 2 0 295.452 1.779 10 0 CDAERP CCCC[N@@H+]1CC[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001400191932 976918593 /nfs/dbraw/zinc/91/85/93/976918593.db2.gz DIXARFXBXBRRGA-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@@H]1[C@H]2C[NH+](CCC3CC3)C[C@H]21 ZINC001403405232 976937343 /nfs/dbraw/zinc/93/73/43/976937343.db2.gz HCYZOHXGBBEWAL-PHZGNYQRSA-N 2 0 293.455 1.422 10 0 CDAERP C[C@@H](F)CC[NH2+][C@@H](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001408219688 976966565 /nfs/dbraw/zinc/96/65/65/976966565.db2.gz WKIFQKVWSMFIPV-OLZOCXBDSA-N 2 0 287.423 1.561 10 0 CDAERP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](C[C@H]2CCCCO2)C1 ZINC001391620769 976996684 /nfs/dbraw/zinc/99/66/84/976996684.db2.gz MJUOGXLIMXVSRV-LSDHHAIUSA-N 2 0 297.443 1.040 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[N@H+](CCC2CC2)CC1(C)C)[NH+](C)C ZINC001381851447 977052206 /nfs/dbraw/zinc/05/22/06/977052206.db2.gz FABQSTKQSMNGLD-CABCVRRESA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@H](F)C[NH2+][C@H](C)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001403578422 977079288 /nfs/dbraw/zinc/07/92/88/977079288.db2.gz USXITCMXMHWEIO-KGLIPLIRSA-N 2 0 299.434 1.799 10 0 CDAERP CC[C@H](C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001381922599 977083373 /nfs/dbraw/zinc/08/33/73/977083373.db2.gz SFHSZYJWNYSMQS-YHUYYLMFSA-N 2 0 295.471 1.668 10 0 CDAERP C[C@H](F)CC[NH2+][C@@H](C)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001403602570 977096794 /nfs/dbraw/zinc/09/67/94/977096794.db2.gz WZOCKSSOGYHTJX-STQMWFEESA-N 2 0 287.423 1.513 10 0 CDAERP CC[C@@H](C(=O)NCC[N@H+](C)CCC(C)(C)C)[NH+](C)C ZINC001403687700 977145743 /nfs/dbraw/zinc/14/57/43/977145743.db2.gz PYLFIQUBHQPTME-ZDUSSCGKSA-N 2 0 271.449 1.811 10 0 CDAERP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ncc(C)s1 ZINC001400850335 977224760 /nfs/dbraw/zinc/22/47/60/977224760.db2.gz KGNBOVBSADRVSK-LBPRGKRZSA-N 2 0 298.456 1.388 10 0 CDAERP CC(C)CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001382313571 977245655 /nfs/dbraw/zinc/24/56/55/977245655.db2.gz NOGZIXBUAFTOCQ-LSDHHAIUSA-N 2 0 281.444 1.707 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC(CC[N@H+](C)CC2CC2)CC1 ZINC001392198678 977253983 /nfs/dbraw/zinc/25/39/83/977253983.db2.gz NQIYBZWLESIQFS-UHFFFAOYSA-N 2 0 295.471 1.909 10 0 CDAERP CCC(CC)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001392732107 977577054 /nfs/dbraw/zinc/57/70/54/977577054.db2.gz YXKAJMHNSKDNGC-DZGCQCFKSA-N 2 0 283.460 1.811 10 0 CDAERP CC[C@@H](C(=O)N[C@]1(C)CC[N@H+](CCC(C)C)C1)[NH+](C)C ZINC001393111163 977706132 /nfs/dbraw/zinc/70/61/32/977706132.db2.gz HQERXVZECSBMKC-GOEBONIOSA-N 2 0 283.460 1.953 10 0 CDAERP CCC1([NH2+]CC2CC2)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001393660687 977886664 /nfs/dbraw/zinc/88/66/64/977886664.db2.gz UKSSFNOONBAMFS-OAHLLOKOSA-N 2 0 293.455 1.851 10 0 CDAERP CCCC[N@@H+]1C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C(C)(C)C1 ZINC001394312181 978130973 /nfs/dbraw/zinc/13/09/73/978130973.db2.gz TTYZCHYYUPUHTF-KBPBESRZSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@]2(C)C[NH+](C(C)C)C[C@]2(C)C1 ZINC001394358369 978141735 /nfs/dbraw/zinc/14/17/35/978141735.db2.gz KVFURDSZTYKUOM-CALCHBBNSA-N 2 0 295.471 1.905 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CCF ZINC001394566640 978198185 /nfs/dbraw/zinc/19/81/85/978198185.db2.gz LWFOISXAAINRGG-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP CC[NH2+][C@@H]1CN(C(=O)[C@H](F)C[NH+](CC)CC)CC1(C)C ZINC001394715152 978239383 /nfs/dbraw/zinc/23/93/83/978239383.db2.gz IMJWRBVLMBLMNQ-CHWSQXEVSA-N 2 0 287.423 1.513 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H](C[NH2+]C/C=C/Cl)C2)CC1 ZINC001675782000 1174147645 /nfs/dbraw/zinc/14/76/45/1174147645.db2.gz OCXUKIPZIIIFHC-VPIYVRFFSA-N 2 0 299.846 1.565 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2CC[NH+](C)C2)C1 ZINC001597024273 1174254476 /nfs/dbraw/zinc/25/44/76/1174254476.db2.gz FGEBAADIIRXKIK-ZIAGYGMSSA-N 2 0 267.417 1.175 10 0 CDAERP CCCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC1(C)C ZINC001677043256 1174310834 /nfs/dbraw/zinc/31/08/34/1174310834.db2.gz OFHPJHQLOAXDLW-AWEZNQCLSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001571257078 1170355658 /nfs/dbraw/zinc/35/56/58/1170355658.db2.gz JCCXHRYACGSSGB-ZBFHGGJFSA-N 2 0 295.471 1.859 10 0 CDAERP COC[C@@H](C)[NH2+]CCC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001571304394 1170362116 /nfs/dbraw/zinc/36/21/16/1170362116.db2.gz FVLMEXMZQPKFRP-UONOGXRCSA-N 2 0 299.459 1.238 10 0 CDAERP CCOCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001571493594 1170453605 /nfs/dbraw/zinc/45/36/05/1170453605.db2.gz SRRKQOSGRPPSSU-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP COCC[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)CC1(C)C ZINC001571565949 1170478907 /nfs/dbraw/zinc/47/89/07/1170478907.db2.gz JKHYIVUGUKKFKS-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@H]1CCC[NH+](C)C1 ZINC000589213255 342500324 /nfs/dbraw/zinc/50/03/24/342500324.db2.gz QNZUMYMDCPVUCR-OLZOCXBDSA-N 2 0 270.421 1.110 10 0 CDAERP COc1cc2c(cc1C[NH2+]CCC1(C[NH3+])CC1)OCO2 ZINC000650713223 398156615 /nfs/dbraw/zinc/15/66/15/398156615.db2.gz KVRCIAYVTCUQMA-UHFFFAOYSA-N 2 0 278.352 1.643 10 0 CDAERP C[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)COC(C)(C)C)C1 ZINC000113514789 282135700 /nfs/dbraw/zinc/13/57/00/282135700.db2.gz BKHXEGUSMFRXKN-OLZOCXBDSA-N 2 0 258.406 1.046 10 0 CDAERP CN(CC1C[NH+](C)C1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000618192550 342138888 /nfs/dbraw/zinc/13/88/88/342138888.db2.gz QVYNKLUQLKNWSD-OAHLLOKOSA-N 2 0 279.428 1.413 10 0 CDAERP CC(C)[C@H]1C[C@@H]([NH2+]CC2([NH3+])CCOCC2)CCO1 ZINC000629389243 361894619 /nfs/dbraw/zinc/89/46/19/361894619.db2.gz XBKKYGTVWWUCDZ-QWHCGFSZSA-N 2 0 256.390 1.288 10 0 CDAERP [NH3+]C1(C[NH2+][C@H]2CCc3ccccc3C2)CCOCC1 ZINC000629387199 361897304 /nfs/dbraw/zinc/89/73/04/361897304.db2.gz FQMXXRMZMCFLCZ-HNNXBMFYSA-N 2 0 260.381 1.641 10 0 CDAERP CCOC(=O)C1([C@@H](C)[NH2+]CCC2(C[NH3+])CC2)CC[NH2+]CC1 ZINC000593321571 342788138 /nfs/dbraw/zinc/78/81/38/342788138.db2.gz ZTHVNPGRAKGYGK-CYBMUJFWSA-N 3 0 297.443 1.026 10 0 CDAERP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCOCCC[NH3+])CC1 ZINC000629400350 361938028 /nfs/dbraw/zinc/93/80/28/361938028.db2.gz VAVWZCMAOGELHN-WBVHZDCISA-N 3 0 297.487 1.985 10 0 CDAERP CC[C@@H]([NH2+]CC1([NH3+])CCOCC1)C1(C(=O)OC)CCC1 ZINC000600710166 342243538 /nfs/dbraw/zinc/24/35/38/342243538.db2.gz QPGVSODJMSVIMY-GFCCVEGCSA-N 2 0 284.400 1.206 10 0 CDAERP CC(C)OC(=O)CC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000600751852 342248221 /nfs/dbraw/zinc/24/82/21/342248221.db2.gz BEJNTIUHDXGBMJ-OAHLLOKOSA-N 2 0 298.427 1.419 10 0 CDAERP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000353517956 539098126 /nfs/dbraw/zinc/09/81/26/539098126.db2.gz LAZJJLCFOGUFQQ-SOUVJXGZSA-N 2 0 253.434 1.647 10 0 CDAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000037644308 539142815 /nfs/dbraw/zinc/14/28/15/539142815.db2.gz CFARUJFTDLAAPY-KBPBESRZSA-N 3 0 253.434 1.648 10 0 CDAERP CC(C)NC(=O)CC[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000534288486 282177758 /nfs/dbraw/zinc/17/77/58/282177758.db2.gz RYXSVWZELDCSGD-GFCCVEGCSA-N 2 0 264.373 1.124 10 0 CDAERP C[C@@H](CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1)[S@](C)=O ZINC000594932350 342975830 /nfs/dbraw/zinc/97/58/30/342975830.db2.gz ZUQGECWKJSSNGF-YUNKPMOVSA-N 2 0 292.408 1.514 10 0 CDAERP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000594935010 342976594 /nfs/dbraw/zinc/97/65/94/342976594.db2.gz MFRKYVSUPCYRJR-WCFLWFBJSA-N 2 0 252.358 1.036 10 0 CDAERP C[C@@H](CC(=O)NC[C@@H]1CCC[N@@H+]1C)n1ccnc1 ZINC000629452388 362053736 /nfs/dbraw/zinc/05/37/36/362053736.db2.gz QMWYWELJUPJXQA-RYUDHWBXSA-N 2 0 250.346 1.045 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1c(C(F)(F)F)cnn1C ZINC000629513013 362122193 /nfs/dbraw/zinc/12/21/93/362122193.db2.gz JTLHNJVWQKUPIX-VIFPVBQESA-N 2 0 294.321 1.282 10 0 CDAERP Cn1ncc(C(F)(F)F)c1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000629511841 362122550 /nfs/dbraw/zinc/12/25/50/362122550.db2.gz BGGNYJWJVFOKJZ-RKDXNWHRSA-N 2 0 276.306 1.798 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000629514731 362130571 /nfs/dbraw/zinc/13/05/71/362130571.db2.gz TYHKTWRDRSOKSG-HOTGVXAUSA-N 2 0 278.396 1.471 10 0 CDAERP C[C@@]1(C(=O)NCCC[NH+]2CCCC2)CCCC[NH2+]1 ZINC000136196276 342372358 /nfs/dbraw/zinc/37/23/58/342372358.db2.gz MPWGXSVNPCSCDC-AWEZNQCLSA-N 2 0 253.390 1.121 10 0 CDAERP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CC1([NH3+])CCOCC1 ZINC000629518670 362137582 /nfs/dbraw/zinc/13/75/82/362137582.db2.gz ATPLHLFPHTXHAJ-ZFWWWQNUSA-N 2 0 278.396 1.860 10 0 CDAERP [NH3+]C1(C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)CCOCC1 ZINC000629520087 362139963 /nfs/dbraw/zinc/13/99/63/362139963.db2.gz KHHDOXJAHYXVCD-RBSFLKMASA-N 2 0 282.428 1.679 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000629529150 362155786 /nfs/dbraw/zinc/15/57/86/362155786.db2.gz SQVCBLJENDYQKF-LLVKDONJSA-N 2 0 270.348 1.721 10 0 CDAERP C(C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)OC1CCOCC1 ZINC000629534010 362172659 /nfs/dbraw/zinc/17/26/59/362172659.db2.gz IBSOXHMJXZBFDE-ZBFHGGJFSA-N 2 0 282.428 1.646 10 0 CDAERP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC[C@@H]([NH3+])C(C)C)[C@@H]1C ZINC000596655731 343364143 /nfs/dbraw/zinc/36/41/43/343364143.db2.gz YBFWWQXRHPOJRO-RQJABVFESA-N 2 0 270.417 1.927 10 0 CDAERP C[NH+](C)C1(C(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC000616215863 343374525 /nfs/dbraw/zinc/37/45/25/343374525.db2.gz RNJWQXQKMCJYFV-UHFFFAOYSA-N 2 0 258.325 1.045 10 0 CDAERP CCO[C@H](C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)C1CC1 ZINC000629533164 362170579 /nfs/dbraw/zinc/17/05/79/362170579.db2.gz KYWHRVFIKDHRNR-HUUCEWRRSA-N 2 0 282.428 1.489 10 0 CDAERP CCOC1CC(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000643887893 362194706 /nfs/dbraw/zinc/19/47/06/362194706.db2.gz DYVBALVFFFXOMW-HPUBIQBYSA-N 2 0 296.455 1.892 10 0 CDAERP CC(C)[NH2+]CC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000251859046 344059597 /nfs/dbraw/zinc/05/95/97/344059597.db2.gz SGHOCDRTFUVIQT-OLZOCXBDSA-N 2 0 253.390 1.070 10 0 CDAERP C[C@@H](C(=O)N1CCC([NH+](C)C)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000101640685 362416034 /nfs/dbraw/zinc/41/60/34/362416034.db2.gz ZVHCBIWXNWXIBK-MJBXVCDLSA-N 2 0 281.444 1.800 10 0 CDAERP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000263283088 344698384 /nfs/dbraw/zinc/69/83/84/344698384.db2.gz SQMDADBHARKXLC-ZQNQSHIBSA-N 2 0 281.444 1.596 10 0 CDAERP C[C@@]1(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000079514721 362658075 /nfs/dbraw/zinc/65/80/75/362658075.db2.gz GKLPOQRHBBGJFA-RDJZCZTQSA-N 2 0 287.407 1.519 10 0 CDAERP CC(C)[C@@]1(C)C[C@H]1C(=O)NCCN(C)CCC[NH+](C)C ZINC000617764680 345960726 /nfs/dbraw/zinc/96/07/26/345960726.db2.gz BZMAZXHKUYDGPF-GOEBONIOSA-N 2 0 283.460 1.668 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCC[NH+]2CCOCC2)CC1(C)C ZINC000623358749 346087021 /nfs/dbraw/zinc/08/70/21/346087021.db2.gz QNMISBLODGOYSO-HNNXBMFYSA-N 3 0 283.460 1.561 10 0 CDAERP Cn1cc(CC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cn1 ZINC000623364901 346094348 /nfs/dbraw/zinc/09/43/48/346094348.db2.gz ZDPDIAMTKWXXJY-ZDUSSCGKSA-N 2 0 250.390 1.425 10 0 CDAERP C[NH+](C)CC1CC[NH+](CCCC[C@@](C)(O)C[NH3+])CC1 ZINC000085300918 179010684 /nfs/dbraw/zinc/01/06/84/179010684.db2.gz OKXLUHABIFWFQA-OAHLLOKOSA-N 3 0 271.449 1.140 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N2CCNC[C@@H]2c2ccncc2)cc1 ZINC000571563080 362681931 /nfs/dbraw/zinc/68/19/31/362681931.db2.gz NSEQDYOCIMIPHQ-MRXNPFEDSA-N 2 0 296.374 1.327 10 0 CDAERP CC(C)(C)[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000085366314 179037000 /nfs/dbraw/zinc/03/70/00/179037000.db2.gz PTRWLWWFUGRGSB-OLZOCXBDSA-N 2 0 267.417 1.493 10 0 CDAERP CC[NH+](CC)CCn1cc(NC(=O)[C@H]2CCC[C@H]2[NH3+])cn1 ZINC000085366329 179037209 /nfs/dbraw/zinc/03/72/09/179037209.db2.gz QRGLYGVYLUAEIF-UONOGXRCSA-N 2 0 293.415 1.291 10 0 CDAERP CC(C)[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000085367774 179037553 /nfs/dbraw/zinc/03/75/53/179037553.db2.gz NLXBSXFQHMQWNF-LSDHHAIUSA-N 2 0 281.444 1.835 10 0 CDAERP CC(C)[C@@H](CNC(=O)[C@@H]1CCCC[C@@H]1[NH3+])[NH+]1CCCC1 ZINC000085371098 179041156 /nfs/dbraw/zinc/04/11/56/179041156.db2.gz RPQIXXADOLAXPO-QLFBSQMISA-N 2 0 281.444 1.741 10 0 CDAERP NC(=O)CC[N@@H+]1CCCCC[C@H]1C1CC[NH2+]CC1 ZINC000085403551 179052950 /nfs/dbraw/zinc/05/29/50/179052950.db2.gz SXBLABZOWRJVHP-ZDUSSCGKSA-N 2 0 253.390 1.106 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000227696656 346530751 /nfs/dbraw/zinc/53/07/51/346530751.db2.gz NIMXWFQNGFCCFM-UKRRQHHQSA-N 2 0 267.417 1.365 10 0 CDAERP Cc1nccn1CCCSC[C@H]1CN(C)CCO1 ZINC000566214303 370648674 /nfs/dbraw/zinc/64/86/74/370648674.db2.gz FRKYQYOEBDOVGW-CYBMUJFWSA-N 2 0 269.414 1.645 10 0 CDAERP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623449205 346765923 /nfs/dbraw/zinc/76/59/23/346765923.db2.gz MREQPHSELQKLSN-OAHLLOKOSA-N 2 0 297.487 1.684 10 0 CDAERP COC(=O)C1(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000450427388 362823167 /nfs/dbraw/zinc/82/31/67/362823167.db2.gz SHUBCNZYCZMSRO-CQSZACIVSA-N 2 0 280.412 1.890 10 0 CDAERP CC[C@@H](CO)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000450442393 362824017 /nfs/dbraw/zinc/82/40/17/362824017.db2.gz WWTKUYVKJPBKOM-DLBZAZTESA-N 2 0 297.487 1.638 10 0 CDAERP C[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1C1CC[NH+](C)CC1 ZINC000086217860 179249696 /nfs/dbraw/zinc/24/96/96/179249696.db2.gz WLPQIOWEDAGHPG-GXTWGEPZSA-N 2 0 253.434 1.789 10 0 CDAERP CC[C@H]1CN(C[C@@H]2CCC[N@H+](C)C2)[C@@H](CC)C[NH2+]1 ZINC000086259268 179258294 /nfs/dbraw/zinc/25/82/94/179258294.db2.gz XITMCZCRJKXDEM-ILXRZTDVSA-N 2 0 253.434 1.791 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@H](CCO)C2CCOCC2)CC1(C)C ZINC000623492866 347603130 /nfs/dbraw/zinc/60/31/30/347603130.db2.gz MMBGOSWOYCQMJR-LSDHHAIUSA-N 2 0 284.444 1.626 10 0 CDAERP CC[C@H]1C[NH2+][C@H](C2CC2)CN1[C@@H](C)CC[NH+](C)C ZINC000086255819 179257042 /nfs/dbraw/zinc/25/70/42/179257042.db2.gz KNWNTFGFBUFKAD-QEJZJMRPSA-N 2 0 253.434 1.789 10 0 CDAERP CCC[N@@H+]1CC[C@@H](N[C@@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623572671 347639487 /nfs/dbraw/zinc/63/94/87/347639487.db2.gz JRFDPDMFQCHRIC-ZIAGYGMSSA-N 2 0 253.434 1.933 10 0 CDAERP CC(=O)N1CCC[C@H](C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623511178 347611475 /nfs/dbraw/zinc/61/14/75/347611475.db2.gz CQPONFHGFPBMLV-CABCVRRESA-N 2 0 281.444 1.707 10 0 CDAERP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC/C=C\C[NH3+])o1 ZINC000641865047 365950581 /nfs/dbraw/zinc/95/05/81/365950581.db2.gz OFIBPZDZADOLKE-PLNGDYQASA-N 2 0 294.399 1.176 10 0 CDAERP C[C@H](NC(=O)NCCC[NH3+])[C@@H](c1ccccc1)[NH+](C)C ZINC000418161485 299153495 /nfs/dbraw/zinc/15/34/95/299153495.db2.gz BUWIIGBTTMEBTQ-JSGCOSHPSA-N 2 0 278.400 1.326 10 0 CDAERP C[C@@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000104445943 186005492 /nfs/dbraw/zinc/00/54/92/186005492.db2.gz ICVBUFMMTWYQJF-NEPJUHHUSA-N 2 0 253.390 1.057 10 0 CDAERP C[C@H]([NH2+]CCOCCC[NH3+])c1cc(F)ccc1F ZINC000629541893 362964840 /nfs/dbraw/zinc/96/48/40/362964840.db2.gz STUOVNMLJRLBDM-JTQLQIEISA-N 2 0 258.312 1.981 10 0 CDAERP C[NH+](C)Cc1ccc(C(=O)NC2CC([NH+](C)C)C2)cc1 ZINC000622010083 350933443 /nfs/dbraw/zinc/93/34/43/350933443.db2.gz VAKXGDOLMNUZNM-UHFFFAOYSA-N 2 0 275.396 1.571 10 0 CDAERP CC[C@H]1CCCCN1C(=O)[C@@H](C)[N@H+](C)CCOCC[NH2+]C ZINC000629566268 363012233 /nfs/dbraw/zinc/01/22/33/363012233.db2.gz ISIYIKUGHBOYOL-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP C[C@H](C[NH2+][C@H](C)[C@H]1CCCCO1)CN1CC[NH+](C)CC1 ZINC000623886631 351318129 /nfs/dbraw/zinc/31/81/29/351318129.db2.gz HOSYUXVTDOSRPD-BZUAXINKSA-N 2 0 283.460 1.417 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCCC1CC[NH+](C)CC1 ZINC000333650697 363077785 /nfs/dbraw/zinc/07/77/85/363077785.db2.gz VRGLOSJHNVCLCP-OCCSQVGLSA-N 2 0 282.432 1.016 10 0 CDAERP C[NH+]1CCC2(CC1)C[N@H+](CC1=CCCOC1)CCO2 ZINC000648071547 482666265 /nfs/dbraw/zinc/66/62/65/482666265.db2.gz HWFZRMFWHLBFDM-UHFFFAOYSA-N 2 0 266.385 1.130 10 0 CDAERP CC(C)[NH+]1CCN(CCCN2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000248642398 535198875 /nfs/dbraw/zinc/19/88/75/535198875.db2.gz DFJBUUYUHGWBCI-KRWDZBQOSA-N 2 0 294.487 1.183 10 0 CDAERP CC1CC[NH+](CCNC(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000333911082 363218428 /nfs/dbraw/zinc/21/84/28/363218428.db2.gz FBCGOLKMSYHBCZ-AWEZNQCLSA-N 2 0 282.432 1.160 10 0 CDAERP CC[N@H+](CC(N)=O)Cc1cc(-n2ccnc2)cs1 ZINC000355351627 366089129 /nfs/dbraw/zinc/08/91/29/366089129.db2.gz DVGFEORFSYKOSS-UHFFFAOYSA-N 2 0 264.354 1.241 10 0 CDAERP C[C@@H]1C[C@@H](C[NH2+][C@H]2CCN(C3CCC3)C2=O)CC[NH2+]1 ZINC000629673814 363321356 /nfs/dbraw/zinc/32/13/56/363321356.db2.gz IYNZWIOLSJOLOB-DYEKYZERSA-N 2 0 265.401 1.118 10 0 CDAERP C[N@@H+]1CC[C@H](NCCC[NH+]2CCCC2)[C@@H]2CCC[C@H]21 ZINC000367621310 283135213 /nfs/dbraw/zinc/13/52/13/283135213.db2.gz ZZVUCVANJIVOKD-HRCADAONSA-N 2 0 265.445 1.935 10 0 CDAERP C[C@]1(CN2CC[C@@H]([NH+]3CCCCC3)C2)CC[NH2+]C1 ZINC000222902468 358504077 /nfs/dbraw/zinc/50/40/77/358504077.db2.gz XUENKSVZLFTVGZ-CABCVRRESA-N 2 0 251.418 1.546 10 0 CDAERP [NH3+]CCCNC1CC[NH+](CCc2ccccc2)CC1 ZINC000037713880 356522349 /nfs/dbraw/zinc/52/23/49/356522349.db2.gz XUXYILVPNLDFLN-UHFFFAOYSA-N 2 0 261.413 1.632 10 0 CDAERP COC(=O)[C@@H]1CCC[N@@H+](C2CCC3(C[C@@H]3[NH3+])CC2)C1 ZINC000725271071 538461579 /nfs/dbraw/zinc/46/15/79/538461579.db2.gz WHCSOWNOJXLOAE-UQJCBBSYSA-N 2 0 266.385 1.531 10 0 CDAERP C[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)CCC(F)(F)F ZINC001660395776 1172209534 /nfs/dbraw/zinc/20/95/34/1172209534.db2.gz XOPNHEZBHRILBY-NSHDSACASA-N 2 0 295.349 1.329 10 0 CDAERP C[C@H]([NH2+][C@H]1CCCC[C@H]1CO)C1CC[NH+](C)CC1 ZINC000300410419 538650062 /nfs/dbraw/zinc/65/00/62/538650062.db2.gz HMMBEFXYELMMPA-QEJZJMRPSA-N 2 0 254.418 1.857 10 0 CDAERP CC1CC[NH+](CC(=O)N2CCC3(CC[N@H+](C)C3)CC2)CC1 ZINC000065406646 357538949 /nfs/dbraw/zinc/53/89/49/357538949.db2.gz UGZAZIFZGSZLLG-UHFFFAOYSA-N 2 0 293.455 1.663 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[C@H]([NH3+])C1)C[NH+]1CCCCC1 ZINC000091539539 357717032 /nfs/dbraw/zinc/71/70/32/357717032.db2.gz PHOMHSSKDPACNA-RDBSUJKOSA-N 2 0 267.417 1.352 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000091543196 357717137 /nfs/dbraw/zinc/71/71/37/357717137.db2.gz AIGSPMGZNODVLJ-LSDHHAIUSA-N 2 0 279.428 1.448 10 0 CDAERP Cc1nccn1-c1ncccc1NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091544078 357717233 /nfs/dbraw/zinc/71/72/33/357717233.db2.gz PXTNLPSBKNAENM-NEPJUHHUSA-N 2 0 285.351 1.642 10 0 CDAERP CC[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)CC1CC1 ZINC001660554150 1172233721 /nfs/dbraw/zinc/23/37/21/1172233721.db2.gz ZNDNTHQDAAEGGO-UHFFFAOYSA-N 2 0 293.455 1.853 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC000634743337 358185133 /nfs/dbraw/zinc/18/51/33/358185133.db2.gz QNZZDOLLBCSFMN-IYBDPMFKSA-N 2 0 284.363 1.406 10 0 CDAERP C[C@@]([NH3+])(C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccccc1 ZINC000634744036 358192076 /nfs/dbraw/zinc/19/20/76/358192076.db2.gz MACWFFRWUWBJPZ-BBWFWOEESA-N 2 0 287.407 1.319 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634762684 358446559 /nfs/dbraw/zinc/44/65/59/358446559.db2.gz DMYSEENJRZYDNE-ZFWWWQNUSA-N 2 0 267.417 1.224 10 0 CDAERP C[NH+](C)C1(CNC(=O)[C@]23CCC[C@H]2C[NH2+]C3)CCCC1 ZINC000634762751 358446610 /nfs/dbraw/zinc/44/66/10/358446610.db2.gz FXOBPXCYUMMJDJ-BBRMVZONSA-N 2 0 279.428 1.367 10 0 CDAERP CC(C)[NH+](CCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1)C(C)C ZINC000055086561 358763279 /nfs/dbraw/zinc/76/32/79/358763279.db2.gz UETSFAKXKDABQG-UONOGXRCSA-N 2 0 269.433 1.739 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054291596 358710361 /nfs/dbraw/zinc/71/03/61/358710361.db2.gz HDXOVIASVNEFPA-KBPBESRZSA-N 2 0 267.417 1.367 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054291601 358710647 /nfs/dbraw/zinc/71/06/47/358710647.db2.gz HDXOVIASVNEFPA-ZIAGYGMSSA-N 2 0 267.417 1.367 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC000345760067 358901384 /nfs/dbraw/zinc/90/13/84/358901384.db2.gz MKPUCVMWYUKZKB-KFWWJZLASA-N 2 0 298.475 1.841 10 0 CDAERP O=C(C[C@@H]1CCC[NH2+]1)NC1CCN(c2ccccn2)CC1 ZINC000042166528 358906249 /nfs/dbraw/zinc/90/62/49/358906249.db2.gz DEXZXOBHJXJJHR-AWEZNQCLSA-N 2 0 288.395 1.309 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000335250269 359111958 /nfs/dbraw/zinc/11/19/58/359111958.db2.gz UXEDDBZANDOIJJ-AWEZNQCLSA-N 2 0 279.428 1.463 10 0 CDAERP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)CC1 ZINC000261988770 359116193 /nfs/dbraw/zinc/11/61/93/359116193.db2.gz SNAWRAJGXXGOPH-ARFHVFGLSA-N 3 0 281.444 1.075 10 0 CDAERP C[C@@H]1C[NH2+]C[C@@H](NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000401891070 412680339 /nfs/dbraw/zinc/68/03/39/412680339.db2.gz XMZNXAHHVUPAQZ-CWRNSKLLSA-N 2 0 261.413 1.877 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000262327553 359159533 /nfs/dbraw/zinc/15/95/33/359159533.db2.gz DMTKGIDTTRSXKP-KKUMJFAQSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CC[N@@H+]1C ZINC000263271534 359252212 /nfs/dbraw/zinc/25/22/12/359252212.db2.gz SGYKKEWXLHUUPQ-IXYNUQLISA-N 2 0 281.444 1.835 10 0 CDAERP CN(C(=O)CC[C@@H]1CCCC[NH+]1C)[C@@H]1CCC[N@H+](C)C1 ZINC000354063611 359438060 /nfs/dbraw/zinc/43/80/60/359438060.db2.gz CBJKQNKRRRFYRP-LSDHHAIUSA-N 2 0 281.444 1.804 10 0 CDAERP C[N@H+](CCCN1CC[NH+](C)CC1)CC[C@H]1CCCCO1 ZINC000347546674 359432232 /nfs/dbraw/zinc/43/22/32/359432232.db2.gz MQSWSPVLERCVBL-MRXNPFEDSA-N 2 0 283.460 1.515 10 0 CDAERP C[C@H](CN[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)[N@@H+]1CCCC[C@H]1C ZINC000422857834 359661982 /nfs/dbraw/zinc/66/19/82/359661982.db2.gz IDUJRSQWXVCCIB-JHNDHUHGSA-N 2 0 295.471 1.606 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH2+]C2CC2)[C@@H](C)C1 ZINC000637297160 359663533 /nfs/dbraw/zinc/66/35/33/359663533.db2.gz DEIHACZSODXZCO-JSGCOSHPSA-N 2 0 282.432 1.110 10 0 CDAERP CC(C)[C@@H](C(=O)NCc1ccc2c[nH+]cn2c1)[NH+](C)C ZINC000297192539 200109185 /nfs/dbraw/zinc/10/91/85/200109185.db2.gz KYXNTFVCEKJRND-AWEZNQCLSA-N 2 0 274.368 1.537 10 0 CDAERP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@@H](C)[C@H](C)[NH3+] ZINC000423446529 359793985 /nfs/dbraw/zinc/79/39/85/359793985.db2.gz OHBAUDPEGGNPQY-AGIUHOORSA-N 2 0 263.385 1.753 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](CCn2ccnc2)CC1 ZINC000336801271 359843802 /nfs/dbraw/zinc/84/38/02/359843802.db2.gz PLCSKKGLQZZMJR-UHFFFAOYSA-N 2 0 264.417 1.937 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)[C@@H]1C ZINC000423518498 359838046 /nfs/dbraw/zinc/83/80/46/359838046.db2.gz ZSIYSLDCSCZRGE-BKAAIYKLSA-N 2 0 265.445 1.837 10 0 CDAERP CC[NH+](CC)CC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000070449785 359942831 /nfs/dbraw/zinc/94/28/31/359942831.db2.gz CZIXSJPYTZBVDO-CYBMUJFWSA-N 2 0 257.422 1.421 10 0 CDAERP C[C@H]1C[NH2+]CCN1C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000335407681 360228320 /nfs/dbraw/zinc/22/83/20/360228320.db2.gz URJKCNHGWQKPJN-STQMWFEESA-N 2 0 253.390 1.071 10 0 CDAERP O=C(c1ccc2c[nH+]cn2c1)N1CCC2(CC[NH2+]2)CC1 ZINC000335409627 360232074 /nfs/dbraw/zinc/23/20/74/360232074.db2.gz ZGWITEWZZYARNH-UHFFFAOYSA-N 2 0 270.336 1.302 10 0 CDAERP [NH3+]C1(CNC(=O)N2CC[C@]3(CC[NH2+]C3)C2)CCCCCC1 ZINC000515004938 360419882 /nfs/dbraw/zinc/41/98/82/360419882.db2.gz PKKXYZZNAPGYGV-HNNXBMFYSA-N 2 0 294.443 1.433 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccccc1CC[NH3+] ZINC000515066623 360430544 /nfs/dbraw/zinc/43/05/44/360430544.db2.gz HMERYTUONLFCJL-CQSZACIVSA-N 2 0 289.423 1.792 10 0 CDAERP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000566483823 360464519 /nfs/dbraw/zinc/46/45/19/360464519.db2.gz YKAAKAOBUIVPDB-ZLKJLUDKSA-N 2 0 264.417 1.827 10 0 CDAERP c1ccc(C[N@@H+]2C[C@H]3CN(CC45CC(C4)C[NH2+]5)C[C@H]3C2)cc1 ZINC000634995236 360621680 /nfs/dbraw/zinc/62/16/80/360621680.db2.gz YTBLXVXQLOZTBY-FXSDRFNOSA-N 2 0 297.446 1.802 10 0 CDAERP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000626947865 360686359 /nfs/dbraw/zinc/68/63/59/360686359.db2.gz ITXCPKHHLXNFGO-AIEDFZFUSA-N 2 0 296.459 1.402 10 0 CDAERP CO[C@H](C)C[NH2+][C@H]1CCN(CCc2ccccc2)C1 ZINC000191204375 360762238 /nfs/dbraw/zinc/76/22/38/360762238.db2.gz LDKJWJBTYRQTRK-ZBFHGGJFSA-N 2 0 262.397 1.928 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)C[N@@H+]1C1CC1 ZINC000246272699 360827561 /nfs/dbraw/zinc/82/75/61/360827561.db2.gz LXPBXTFRBORCCQ-QUEVPRLRSA-N 2 0 291.439 1.649 10 0 CDAERP CC1CCC(NC(=O)C[NH+]2CCC3(CC[NH2+]C3)CC2)CC1 ZINC000335742222 360883572 /nfs/dbraw/zinc/88/35/72/360883572.db2.gz CTWUJEAXDZAFEJ-UHFFFAOYSA-N 2 0 293.455 1.757 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)CC[NH+](C)C)[C@@H](C)C1 ZINC000448468431 360893600 /nfs/dbraw/zinc/89/36/00/360893600.db2.gz UYBFRJKRSVJWCS-KKUMJFAQSA-N 2 0 298.475 1.698 10 0 CDAERP C[C@@H]1CCC[N@H+](CCNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC000635314200 361128395 /nfs/dbraw/zinc/12/83/95/361128395.db2.gz VBKOCYLZOHEJTH-JHJVBQTASA-N 2 0 276.384 1.361 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366266544 361274560 /nfs/dbraw/zinc/27/45/60/361274560.db2.gz RLLYQYDBZVJODG-GDBMZVCRSA-N 2 0 296.459 1.454 10 0 CDAERP CCC[C@H]1CN(C(=O)CC[C@H](C)[NH3+])CC[N@@H+]1CCOC ZINC000566295593 370675106 /nfs/dbraw/zinc/67/51/06/370675106.db2.gz SEFQKSJHAPGMIY-KBPBESRZSA-N 2 0 285.432 1.073 10 0 CDAERP C[NH2+][C@@H]1CCCN(C(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000417928471 283656028 /nfs/dbraw/zinc/65/60/28/283656028.db2.gz HIYURZIIMYLIBF-YMAMQOFZSA-N 2 0 296.459 1.500 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1conc1C ZINC000339293022 361431094 /nfs/dbraw/zinc/43/10/94/361431094.db2.gz CZOZIWJHTICJIK-CYBMUJFWSA-N 2 0 255.362 1.429 10 0 CDAERP [NH3+][C@H]1CCC[C@@H](NC2CC([NH+]3CCCCC3)C2)C1 ZINC000566867024 361492965 /nfs/dbraw/zinc/49/29/65/361492965.db2.gz SMVYWDGUMCWOCT-ZUJMUWTESA-N 2 0 251.418 1.863 10 0 CDAERP C[C@@]1(C[NH+]2CCC(C(=O)N3CCCC3)CC2)CC[NH2+]C1 ZINC000261751226 238950769 /nfs/dbraw/zinc/95/07/69/238950769.db2.gz JTTYWLIITKJBEA-MRXNPFEDSA-N 2 0 279.428 1.320 10 0 CDAERP CC[C@H](CO)[NH+]1CCN(CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000351219031 361622949 /nfs/dbraw/zinc/62/29/49/361622949.db2.gz AQOHUXLNXYTOPB-HZPDHXFCSA-N 2 0 283.460 1.249 10 0 CDAERP C[C@H](CC[NH3+])NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000417952667 361641003 /nfs/dbraw/zinc/64/10/03/361641003.db2.gz YIXJJBOXMLFDLQ-SNPRPXQTSA-N 2 0 290.411 1.468 10 0 CDAERP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000644144999 364000759 /nfs/dbraw/zinc/00/07/59/364000759.db2.gz UMPZEHWVKIOLDI-MJBXVCDLSA-N 2 0 279.428 1.542 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NCC[NH+]2CCCC[C@H]2C)C1 ZINC000572661040 364094234 /nfs/dbraw/zinc/09/42/34/364094234.db2.gz ZRINQKWTMVJGCU-UONOGXRCSA-N 2 0 267.417 1.319 10 0 CDAERP CCN1CC[C@H]([NH2+]C[C@H](O)COc2ccc(F)cc2)C1 ZINC000389471096 364885727 /nfs/dbraw/zinc/88/57/27/364885727.db2.gz UWGNPGMJLOUHBD-KBPBESRZSA-N 2 0 282.359 1.249 10 0 CDAERP C[C@@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)[C@H](C)[NH3+] ZINC000417174991 296076163 /nfs/dbraw/zinc/07/61/63/296076163.db2.gz IXSNNXVSBFVVOT-WDEREUQCSA-N 2 0 270.421 1.284 10 0 CDAERP C[C@H]1C[N@H+](C)C[C@@H]1NCC1(C[NH+](C)C)CCCC1 ZINC000353165207 365038565 /nfs/dbraw/zinc/03/85/65/365038565.db2.gz HMQYTUDOERXHAT-KBPBESRZSA-N 2 0 253.434 1.648 10 0 CDAERP CCN(C)c1ccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)cn1 ZINC000414941580 370814781 /nfs/dbraw/zinc/81/47/81/370814781.db2.gz LRUGPHSVZZRMSN-OCCSQVGLSA-N 2 0 262.401 1.625 10 0 CDAERP CCNC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000353613052 365334218 /nfs/dbraw/zinc/33/42/18/365334218.db2.gz LOPFQQIPEDASMV-BYNSBNAKSA-N 2 0 294.443 1.253 10 0 CDAERP Cc1nccc(N2CC[NH+](C[C@H]3CC[NH2+][C@@H](C)C3)CC2)n1 ZINC000414704216 241338705 /nfs/dbraw/zinc/33/87/05/241338705.db2.gz CZFZHHIETFIQOR-ZFWWWQNUSA-N 2 0 289.427 1.295 10 0 CDAERP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000414831622 367081746 /nfs/dbraw/zinc/08/17/46/367081746.db2.gz CTHFANWULNFCNY-SNVBAGLBSA-N 2 0 279.409 1.545 10 0 CDAERP Cc1nn(C)c(C)c1CC[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415079680 241548335 /nfs/dbraw/zinc/54/83/35/241548335.db2.gz IGVZEEUTSDBWDB-BXUZGUMPSA-N 2 0 264.417 1.557 10 0 CDAERP C[C@H]1CC[C@@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)C[NH2+]1 ZINC000627002179 367224604 /nfs/dbraw/zinc/22/46/04/367224604.db2.gz SEAWHRSGFPYJPX-VXGQWTEUSA-N 2 0 296.459 1.547 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000516875528 367202727 /nfs/dbraw/zinc/20/27/27/367202727.db2.gz BIYQHSFQTGGQMI-OAHLLOKOSA-N 2 0 293.455 1.805 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000417059120 242294918 /nfs/dbraw/zinc/29/49/18/242294918.db2.gz BEAQCMISKNIPOE-WFASDCNBSA-N 2 0 290.411 1.379 10 0 CDAERP c1cn(-c2csc(CNC[C@@H]3CCC[NH2+]3)c2)cn1 ZINC000414852831 367653689 /nfs/dbraw/zinc/65/36/89/367653689.db2.gz WMTICGDFRDBOGF-NSHDSACASA-N 2 0 262.382 1.775 10 0 CDAERP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627206067 367702221 /nfs/dbraw/zinc/70/22/21/367702221.db2.gz WKJYBJIDCQVZQN-UMVBOHGHSA-N 2 0 296.459 1.499 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)N2CCC3(CC[NH2+]CC3)CC2)C[NH2+]1 ZINC000627208560 367706579 /nfs/dbraw/zinc/70/65/79/367706579.db2.gz YFEACQTTWPCFDK-ZIAGYGMSSA-N 2 0 294.443 1.302 10 0 CDAERP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627198360 367688065 /nfs/dbraw/zinc/68/80/65/367688065.db2.gz KOYHITDWGIAYQX-MCIONIFRSA-N 2 0 282.432 1.109 10 0 CDAERP Cn1c2ccc(C[NH2+]C[C@@H]3CCC[NH2+]C3)cc2sc1=O ZINC000414858301 367735429 /nfs/dbraw/zinc/73/54/29/367735429.db2.gz RFFGENOMWUPTRJ-GFCCVEGCSA-N 2 0 291.420 1.689 10 0 CDAERP CC[NH2+][C@@H](C)C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000638054298 367839171 /nfs/dbraw/zinc/83/91/71/367839171.db2.gz NNUXSCFIJFYBTQ-JSGCOSHPSA-N 2 0 263.385 1.404 10 0 CDAERP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]C[C@@H](O)CC1CCCC1 ZINC000564210615 368357983 /nfs/dbraw/zinc/35/79/83/368357983.db2.gz GNTJGPURMVAZKU-IRXDYDNUSA-N 2 0 298.471 1.754 10 0 CDAERP C[N@H+](CCNC(=O)C1=CC[C@H]([NH3+])C1)C1CCCC1 ZINC000638102376 368359794 /nfs/dbraw/zinc/35/97/94/368359794.db2.gz UIVGDIVCMGCHET-LBPRGKRZSA-N 2 0 251.374 1.025 10 0 CDAERP CCC([NH3+])(CC)CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000418441996 243081721 /nfs/dbraw/zinc/08/17/21/243081721.db2.gz SGRLJEOYJXCNNY-QWHCGFSZSA-N 2 0 284.448 1.628 10 0 CDAERP [NH3+]CC[C@H]1CCCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)C1 ZINC000418451487 243093045 /nfs/dbraw/zinc/09/30/45/243093045.db2.gz MRVYVPYALPNIMB-UKRRQHHQSA-N 2 0 290.411 1.457 10 0 CDAERP C[C@@H](C[NH3+])CNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000418462139 243106711 /nfs/dbraw/zinc/10/67/11/243106711.db2.gz BCOBCRVFRXFZCH-ZDUSSCGKSA-N 2 0 282.432 1.099 10 0 CDAERP CCCN(CC[NH+](CC)CC)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000418566247 243220356 /nfs/dbraw/zinc/22/03/56/243220356.db2.gz ZMGVMDYSIUFMGP-HUUCEWRRSA-N 2 0 298.475 1.748 10 0 CDAERP C[C@@H](NC(=O)N(CC[NH+](C)C)C1CCCC1)[C@H](C)[NH3+] ZINC000418719475 243373305 /nfs/dbraw/zinc/37/33/05/243373305.db2.gz JEIGSGCASQNZNE-NWDGAFQWSA-N 2 0 270.421 1.238 10 0 CDAERP CCOC1CC(O)(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000367596992 369195244 /nfs/dbraw/zinc/19/52/44/369195244.db2.gz KYMSZIPOPOCPPJ-PQARUHEFSA-N 2 0 282.428 1.379 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)N(C)C[C@@H]2CCC[NH+](C)C2)C1 ZINC000115807061 369224060 /nfs/dbraw/zinc/22/40/60/369224060.db2.gz SBMZXXZTPHUSBJ-HUUCEWRRSA-N 2 0 296.459 1.454 10 0 CDAERP CC[NH2+][C@@H](C)C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000638302578 369305940 /nfs/dbraw/zinc/30/59/40/369305940.db2.gz RVVMBESSEHGJPG-KGLIPLIRSA-N 2 0 277.412 1.621 10 0 CDAERP COC(=O)c1cc(CN2CC[C@H](C[NH+](C)C)C2)c(C)o1 ZINC000546601280 369403641 /nfs/dbraw/zinc/40/36/41/369403641.db2.gz JCKLBNRQKYSLND-GFCCVEGCSA-N 2 0 280.368 1.758 10 0 CDAERP CC(C)C[C@H](C[NH3+])NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000418133529 370196601 /nfs/dbraw/zinc/19/66/01/370196601.db2.gz NIIFUPCLSKQVGF-SHARSMKWSA-N 2 0 296.459 1.676 10 0 CDAERP CC(C)([NH3+])CNC(=O)NCC1([NH3+])CCCCCC1 ZINC000418282298 370449987 /nfs/dbraw/zinc/44/99/87/370449987.db2.gz GZVXUENAPANOBZ-UHFFFAOYSA-N 2 0 256.394 1.075 10 0 CDAERP [NH3+]C1(CNC(=O)N[C@@H]2CCC[NH2+]C2)CCCCCC1 ZINC000418285015 370481437 /nfs/dbraw/zinc/48/14/37/370481437.db2.gz NWEISMAIFYDWON-GFCCVEGCSA-N 2 0 268.405 1.089 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)[C@H]([NH3+])C2CCC2)cc1 ZINC000422541732 245102744 /nfs/dbraw/zinc/10/27/44/245102744.db2.gz OZWTVBNMQDSWQS-IINYFYTJSA-N 2 0 261.369 1.450 10 0 CDAERP [NH3+]CC[C@H]1CCCN(C(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000418287619 370593240 /nfs/dbraw/zinc/59/32/40/370593240.db2.gz UMUMAPHKJMHFIL-CQSZACIVSA-N 2 0 296.459 1.809 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)CC1 ZINC000422732950 245191102 /nfs/dbraw/zinc/19/11/02/245191102.db2.gz ANHWUTDXDQXTBM-IRXDYDNUSA-N 2 0 295.471 1.465 10 0 CDAERP COCC[N@H+](C)CCCN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@@H]21 ZINC000375855577 371004110 /nfs/dbraw/zinc/00/41/10/371004110.db2.gz AVQXAEKATGSINT-BZUAXINKSA-N 2 0 283.460 1.417 10 0 CDAERP CN(C)c1cc[nH+]cc1C(=O)NCc1cnc2n1CCCC2 ZINC000377165403 371456774 /nfs/dbraw/zinc/45/67/74/371456774.db2.gz BLHQJSYRYBXPBU-UHFFFAOYSA-N 2 0 299.378 1.610 10 0 CDAERP COc1cccc(N2CC[C@H](C[NH2+][C@@H]3CCC[C@H]3[NH3+])C2)c1 ZINC000422906779 245390815 /nfs/dbraw/zinc/39/08/15/245390815.db2.gz VRZZTAKOQUDTAS-KBRIMQKVSA-N 2 0 289.423 1.991 10 0 CDAERP C(C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)OC[C@@H]1CCCO1 ZINC000573702633 371631157 /nfs/dbraw/zinc/63/11/57/371631157.db2.gz ZHTMGROMQXKVMY-JYJNAYRXSA-N 2 0 282.428 1.646 10 0 CDAERP CC[C@H](C)[N@H+](C)CCN[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422906149 245390533 /nfs/dbraw/zinc/39/05/33/245390533.db2.gz JJGGWAIEKMGREB-QEJZJMRPSA-N 2 0 269.433 1.073 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]Cc2cccnc2-n2ccnc2)[C@H](C)O1 ZINC000296543598 371810926 /nfs/dbraw/zinc/81/09/26/371810926.db2.gz UBIXWWWPQNZGDY-MBNYWOFBSA-N 2 0 272.352 1.923 10 0 CDAERP CC[NH+](CC)CCNC(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000176130560 372724858 /nfs/dbraw/zinc/72/48/58/372724858.db2.gz JQKMFVDVUNDEAD-CQSZACIVSA-N 2 0 284.448 1.454 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333138395 205063946 /nfs/dbraw/zinc/06/39/46/205063946.db2.gz CQQSVEWUFWTESN-HUUCEWRRSA-N 2 0 296.459 1.692 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C ZINC000423097319 245567105 /nfs/dbraw/zinc/56/71/05/245567105.db2.gz AMTOXCSTAQWGEE-FRRDWIJNSA-N 2 0 260.422 1.252 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@@H](C(=O)C3CC3)C2)CC[NH2+]1 ZINC000415109260 372837924 /nfs/dbraw/zinc/83/79/24/372837924.db2.gz QXILRCDILSHQPJ-YRGRVCCFSA-N 2 0 266.385 1.054 10 0 CDAERP CC[N@@H+]1CC[C@@H](C[NH2+]C2CCN(c3cnccn3)CC2)C1 ZINC000531954726 372901222 /nfs/dbraw/zinc/90/12/22/372901222.db2.gz PXEJOAPRBSFQDY-AWEZNQCLSA-N 2 0 289.427 1.377 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000333349297 205240314 /nfs/dbraw/zinc/24/03/14/205240314.db2.gz JISBGFGXWCFNHT-QLFBSQMISA-N 2 0 296.459 1.486 10 0 CDAERP C[NH2+][C@@H](C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381768506 372997067 /nfs/dbraw/zinc/99/70/67/372997067.db2.gz PUIJBHOEAWQWIR-DZGCQCFKSA-N 2 0 275.396 1.327 10 0 CDAERP O=C(NC1CC[NH+](C2CCC2)CC1)N[C@H]1CCCC[NH2+]C1 ZINC000333570265 205453187 /nfs/dbraw/zinc/45/31/87/205453187.db2.gz MITUYZBGAUVBFW-AWEZNQCLSA-N 2 0 294.443 1.445 10 0 CDAERP C[NH2+]C[C@H](C)CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000418369570 373234388 /nfs/dbraw/zinc/23/43/88/373234388.db2.gz ULINHUZOOLYTHB-ZNMIVQPWSA-N 2 0 296.459 1.499 10 0 CDAERP CC(C)[C@H](C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)[C@H](C)[NH3+] ZINC000581879136 373295627 /nfs/dbraw/zinc/29/56/27/373295627.db2.gz NQMPPAPKUDNYBX-XGUBFFRZSA-N 2 0 281.444 1.549 10 0 CDAERP C[C@@H](CNC(=O)c1ccc(C[NH+](C)C)nc1)C[NH+](C)C ZINC000341307150 373590011 /nfs/dbraw/zinc/59/00/11/373590011.db2.gz FSBVJIABUJAKED-LBPRGKRZSA-N 2 0 278.400 1.071 10 0 CDAERP C1CC1[C@@H]1CC[C@@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423514536 245874620 /nfs/dbraw/zinc/87/46/20/245874620.db2.gz TWHGLVDKTXCZLI-GQGLESIBSA-N 2 0 277.456 1.981 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000418554857 374409010 /nfs/dbraw/zinc/40/90/10/374409010.db2.gz DIBVHTDHHQTGPP-KFWWJZLASA-N 2 0 296.459 1.500 10 0 CDAERP CC(C)n1cncc1C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000424150115 246355806 /nfs/dbraw/zinc/35/58/06/246355806.db2.gz YCRKDFZPVHLGQA-OAHLLOKOSA-N 2 0 294.443 1.791 10 0 CDAERP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CC(C)(C)C)CC2)C1 ZINC000121072038 374619223 /nfs/dbraw/zinc/61/92/23/374619223.db2.gz RASDWNLPYCXOMW-INIZCTEOSA-N 2 0 297.487 1.759 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCC2([NH+](C)C)CCCC2)CC[N@@H+]1C ZINC000343070939 374921435 /nfs/dbraw/zinc/92/14/35/374921435.db2.gz KCUBWDWGLHXICR-KBPBESRZSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H]1CC[NH2+]1 ZINC000638835385 375059940 /nfs/dbraw/zinc/05/99/40/375059940.db2.gz LHESGUISJWECOI-VNQPRFMTSA-N 2 0 287.407 1.233 10 0 CDAERP C[C@H](CN[C@H]1CCC[NH2+]CC1)C[NH+]1CCCCC1 ZINC000129163850 375178805 /nfs/dbraw/zinc/17/88/05/375178805.db2.gz GKSPKVPEUNAAGG-CABCVRRESA-N 2 0 253.434 1.840 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000416000739 375519524 /nfs/dbraw/zinc/51/95/24/375519524.db2.gz YVMMGHNKPGPFHF-NXEZZACHSA-N 2 0 298.353 1.296 10 0 CDAERP C[C@H](CNC(=O)N[C@H]1CC[NH2+]C[C@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000417009694 375716186 /nfs/dbraw/zinc/71/61/86/375716186.db2.gz KOEZYPCWQIIGGF-TUVASFSCSA-N 2 0 296.459 1.404 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)CC[NH2+]C2CC2)CC1 ZINC000638979396 376340658 /nfs/dbraw/zinc/34/06/58/376340658.db2.gz CRRZOXXRAQQIDL-UHFFFAOYSA-N 2 0 267.417 1.461 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000420794586 376395057 /nfs/dbraw/zinc/39/50/57/376395057.db2.gz CSEMZKYBONUKAM-ZIAGYGMSSA-N 2 0 284.448 1.452 10 0 CDAERP C[C@H]([NH3+])C1CC[NH+]([C@H]2CCN(C3CCC3)C2=O)CC1 ZINC000631820994 376640828 /nfs/dbraw/zinc/64/08/28/376640828.db2.gz MFVRAAPOKIVKAE-FZMZJTMJSA-N 2 0 265.401 1.199 10 0 CDAERP c1nc2n(n1)[C@H](C[NH+]1CCC([C@H]3CCC[NH2+]3)CC1)CC2 ZINC000631827846 376662908 /nfs/dbraw/zinc/66/29/08/376662908.db2.gz XVMMFRTWJBNTDA-UONOGXRCSA-N 2 0 275.400 1.229 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCC[C@H](C)O ZINC000433177486 248001725 /nfs/dbraw/zinc/00/17/25/248001725.db2.gz SVDOQWROHRZZSG-LBPRGKRZSA-N 2 0 274.368 1.826 10 0 CDAERP CO[C@@H](C[NH+]1CCC([NH2+]CCO)CC1)C1CCCC1 ZINC000631861477 376740176 /nfs/dbraw/zinc/74/01/76/376740176.db2.gz CFNMUVHQSQFQEZ-HNNXBMFYSA-N 2 0 270.417 1.238 10 0 CDAERP CC[N@H+](CCNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)C1CC1 ZINC000417419711 377037295 /nfs/dbraw/zinc/03/72/95/377037295.db2.gz DNXPFEZXJWLFKH-OKILXGFUSA-N 2 0 294.443 1.112 10 0 CDAERP C[C@@H](CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)[NH+](C)C1CC1 ZINC000247313930 377090530 /nfs/dbraw/zinc/09/05/30/377090530.db2.gz OFZJFIUFRBMPNN-GUTXKFCHSA-N 2 0 294.443 1.347 10 0 CDAERP Cc1ccccc1[C@@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000334650524 377212128 /nfs/dbraw/zinc/21/21/28/377212128.db2.gz CGFASXUZBDYUHX-VXGBXAGGSA-N 2 0 283.322 1.108 10 0 CDAERP COc1ccnc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1OC ZINC000249060409 377389712 /nfs/dbraw/zinc/38/97/12/377389712.db2.gz JKKWFVOIJAUTJQ-STQMWFEESA-N 2 0 291.395 1.767 10 0 CDAERP C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000133632760 377944092 /nfs/dbraw/zinc/94/40/92/377944092.db2.gz YKEPOJFBLWKRRX-RDBSUJKOSA-N 2 0 267.417 1.495 10 0 CDAERP C[C@H](C[NH3+])CNC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000417537497 377904548 /nfs/dbraw/zinc/90/45/48/377904548.db2.gz SKCGXFIRZLCYJV-AGIUHOORSA-N 2 0 270.421 1.143 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)CC[N@@H+]1C ZINC000633634572 378621597 /nfs/dbraw/zinc/62/15/97/378621597.db2.gz AUKNPMZHCIJRRT-OWCLPIDISA-N 2 0 295.471 1.953 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000634124177 379063993 /nfs/dbraw/zinc/06/39/93/379063993.db2.gz BUCHKEHMLMKQAO-ZIAGYGMSSA-N 2 0 281.444 1.659 10 0 CDAERP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000246018168 379377490 /nfs/dbraw/zinc/37/74/90/379377490.db2.gz NJEXMRNRITXOLS-RBSFLKMASA-N 2 0 296.459 1.452 10 0 CDAERP CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000634300520 379355642 /nfs/dbraw/zinc/35/56/42/379355642.db2.gz BFHWKTFWKDUMPB-MGPQQGTHSA-N 2 0 267.417 1.173 10 0 CDAERP C[NH+](C)C1CCN(CCNc2ccnc(C3CC3)n2)CC1 ZINC000267170431 190308303 /nfs/dbraw/zinc/30/83/03/190308303.db2.gz IASGIOOAANDWMV-UHFFFAOYSA-N 2 0 289.427 1.792 10 0 CDAERP CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001662630587 1172570672 /nfs/dbraw/zinc/57/06/72/1172570672.db2.gz KJCQNBGTWFFUJM-LSDHHAIUSA-N 2 0 281.444 1.707 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CC2(C(=O)OC)CC2)C[C@H]1C ZINC000450469347 251298442 /nfs/dbraw/zinc/29/84/42/251298442.db2.gz QYGDBNCTJKOSFK-CHWSQXEVSA-N 2 0 268.401 1.744 10 0 CDAERP C[C@H](CCCCO)[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000453297594 252297483 /nfs/dbraw/zinc/29/74/83/252297483.db2.gz ZYTGXKJFNVLSKE-LXTVHRRPSA-N 2 0 254.418 2.000 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000662406907 412974446 /nfs/dbraw/zinc/97/44/46/412974446.db2.gz MNYMAVXZCMMIMV-TUVASFSCSA-N 2 0 299.459 1.221 10 0 CDAERP COCCSCCC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366562203 285125779 /nfs/dbraw/zinc/12/57/79/285125779.db2.gz VNEGPIJALHAIKO-AWEZNQCLSA-N 2 0 272.458 1.784 10 0 CDAERP COCC(C)(C)C[NH2+]CCCC[NH+]1CCOCC1 ZINC000494323539 253615927 /nfs/dbraw/zinc/61/59/27/253615927.db2.gz UCXMMWUAZFOMJK-UHFFFAOYSA-N 2 0 258.406 1.361 10 0 CDAERP CSC1(C[NH2+][C@H]2CCC(=O)NC2(C)C)CC[NH+](C)CC1 ZINC000495021178 253678720 /nfs/dbraw/zinc/67/87/20/253678720.db2.gz XPDPTTNBTDHJHA-LBPRGKRZSA-N 2 0 299.484 1.461 10 0 CDAERP C[C@@H](C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[NH+]1CCCCCC1 ZINC000654067281 413024464 /nfs/dbraw/zinc/02/44/64/413024464.db2.gz MWKHCAWJPXKNMM-SOUVJXGZSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@@H]([NH2+]C)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000662462979 413041355 /nfs/dbraw/zinc/04/13/55/413041355.db2.gz YHTJKKZVLMQPFS-CQSZACIVSA-N 2 0 281.375 1.502 10 0 CDAERP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000646988448 390339213 /nfs/dbraw/zinc/33/92/13/390339213.db2.gz QDUKTGPOWSUMFT-MELADBBJSA-N 2 0 267.417 1.542 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1COc2cc(OC)ccc2C1 ZINC000423020587 285374023 /nfs/dbraw/zinc/37/40/23/285374023.db2.gz CBZOJZRBINZFLA-KBPBESRZSA-N 2 0 294.395 1.342 10 0 CDAERP C[C@@H]1CC[C@@H]1NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000358294020 390533515 /nfs/dbraw/zinc/53/35/15/390533515.db2.gz WRNYTCDJKQSWIN-CABCVRRESA-N 2 0 298.475 1.700 10 0 CDAERP C[C@@H]1CN(C)C[C@H]1[NH2+][C@@H]1CCOC2(CCSCC2)C1 ZINC000358318118 390569936 /nfs/dbraw/zinc/56/99/36/390569936.db2.gz LYDGZVWWZVKOLF-MGPQQGTHSA-N 2 0 284.469 1.971 10 0 CDAERP C[N@@H+]1CC[C@@]2(CC[NH+](CC[C@@H]3CCCCO3)C2)C1 ZINC000336427235 390677720 /nfs/dbraw/zinc/67/77/20/390677720.db2.gz MKRWQQJXYVABAV-LSDHHAIUSA-N 2 0 252.402 1.973 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]([NH3+])C2CC2)[C@H](C)C1 ZINC000418498852 285388090 /nfs/dbraw/zinc/38/80/90/285388090.db2.gz MRFDZALRSWABHE-BNOWGMLFSA-N 2 0 282.432 1.095 10 0 CDAERP C[C@H]1C[C@@H](N(C)C(=O)C2([NH3+])CCCCC2)CC[N@@H+]1C ZINC000237527539 390847318 /nfs/dbraw/zinc/84/73/18/390847318.db2.gz VOEVVFRPITZTAG-STQMWFEESA-N 2 0 267.417 1.589 10 0 CDAERP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000648187265 390947152 /nfs/dbraw/zinc/94/71/52/390947152.db2.gz NJAZZJQXSUCUGL-GFCCVEGCSA-N 2 0 288.395 1.552 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CC2)CC[N@@H+]1C ZINC000426793813 390909247 /nfs/dbraw/zinc/90/92/47/390909247.db2.gz OYZGRKMRTFENLU-SNPRPXQTSA-N 2 0 279.428 1.554 10 0 CDAERP COC[C@H](C)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647542854 390985066 /nfs/dbraw/zinc/98/50/66/390985066.db2.gz CTIYTCRVYRQXCQ-KFWWJZLASA-N 2 0 254.418 1.981 10 0 CDAERP c1cc2c(c(C[NH2+][C@H]3CC34CC[NH2+]CC4)c1)NCC2 ZINC000647548067 390995368 /nfs/dbraw/zinc/99/53/68/390995368.db2.gz UNFKJKLRMKJCHA-AWEZNQCLSA-N 2 0 257.381 1.886 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H](Nc3ncccn3)C2)CC[NH2+]1 ZINC000647552663 390997536 /nfs/dbraw/zinc/99/75/36/390997536.db2.gz QAGONJUQPDHZFY-MCIONIFRSA-N 2 0 275.400 1.351 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCc2ccccc2[C@H]1C[NH3+] ZINC000647553050 391001715 /nfs/dbraw/zinc/00/17/15/391001715.db2.gz XJEUZTONSDFIBV-GOEBONIOSA-N 2 0 261.413 1.918 10 0 CDAERP CC(C)[N@@H+](CCCN1CC[NH+](C(C)C)CC1)C[C@@H](C)O ZINC000337242907 391106281 /nfs/dbraw/zinc/10/62/81/391106281.db2.gz GXJIONHQHJGAGV-MRXNPFEDSA-N 2 0 285.476 1.494 10 0 CDAERP C1CC1[C@H]1CC[C@@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423514530 391053474 /nfs/dbraw/zinc/05/34/74/391053474.db2.gz TWHGLVDKTXCZLI-BACDZXNISA-N 2 0 277.456 1.981 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000417798049 391202625 /nfs/dbraw/zinc/20/26/25/391202625.db2.gz QIXMGJRIYNVMOW-KGLIPLIRSA-N 2 0 275.396 1.581 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000417021045 391340438 /nfs/dbraw/zinc/34/04/38/391340438.db2.gz JQWYBJBMLRPJDB-SOUVJXGZSA-N 2 0 294.443 1.397 10 0 CDAERP CO[C@H](C)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000182157272 391374922 /nfs/dbraw/zinc/37/49/22/391374922.db2.gz HCHCWJXGKPVIFA-CABCVRRESA-N 2 0 269.433 1.123 10 0 CDAERP C[C@H]1CCC[C@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000335640836 391465925 /nfs/dbraw/zinc/46/59/25/391465925.db2.gz ATVCRQJNWKNTRF-SLTXQBBLSA-N 2 0 265.445 1.981 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N[C@H](C[NH3+])C2CCCC2)cc1 ZINC000417847889 391517971 /nfs/dbraw/zinc/51/79/71/391517971.db2.gz ZWWITRUAINFEGU-CQSZACIVSA-N 2 0 261.369 1.393 10 0 CDAERP C[C@H](CNC(=O)NC[C@H]([NH3+])c1ccccc1)[N@H+](C)C1CC1 ZINC000417539339 391646582 /nfs/dbraw/zinc/64/65/82/391646582.db2.gz DZCIGVPOUFEDNY-DOMZBBRYSA-N 2 0 290.411 1.468 10 0 CDAERP CC(C)C[C@@H]([NH3+])C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424368929 391672769 /nfs/dbraw/zinc/67/27/69/391672769.db2.gz ATYYZZATKVYAHQ-ZIAGYGMSSA-N 3 0 253.434 1.824 10 0 CDAERP Cc1ncc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)s1 ZINC000415050061 391725803 /nfs/dbraw/zinc/72/58/03/391725803.db2.gz IEWDUTSZLVMCIX-UHFFFAOYSA-N 2 0 294.468 1.758 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000418197345 391797752 /nfs/dbraw/zinc/79/77/52/391797752.db2.gz JEXOSUAQPSXPJS-RDBSUJKOSA-N 2 0 284.448 1.404 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@H](CO)C(C)C ZINC000342216307 130389504 /nfs/dbraw/zinc/38/95/04/130389504.db2.gz QFODGBJBVNAJHB-OAHLLOKOSA-N 2 0 288.395 1.930 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@H](O)CC[C@H]1C ZINC000421373407 391850345 /nfs/dbraw/zinc/85/03/45/391850345.db2.gz MODKOXYCMHGNGX-MLGOLLRUSA-N 2 0 286.379 1.921 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[NH+]2CCCC[C@H]2C1 ZINC000246491556 391891666 /nfs/dbraw/zinc/89/16/66/391891666.db2.gz SJTJSOQLHSDNSC-GJZGRUSLSA-N 2 0 296.459 1.596 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](CN[C@H]2C[NH+](C)C[C@H]2C)C1 ZINC000344184427 391898269 /nfs/dbraw/zinc/89/82/69/391898269.db2.gz AKYZEXHGGIRVGX-ILXRZTDVSA-N 2 0 253.434 1.647 10 0 CDAERP CC[C@H](Cn1cncn1)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000438826820 391967323 /nfs/dbraw/zinc/96/73/23/391967323.db2.gz PKDCTNMGYCWNFG-QWHCGFSZSA-N 2 0 263.389 1.131 10 0 CDAERP CC[NH+](CC)CC[C@H](CO)Nc1ccnc(C(C)C)n1 ZINC000439115633 392014451 /nfs/dbraw/zinc/01/44/51/392014451.db2.gz DJFZIIUUBUFVMR-CYBMUJFWSA-N 2 0 280.416 1.527 10 0 CDAERP C[NH+](C)C1CC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000646107512 392018245 /nfs/dbraw/zinc/01/82/45/392018245.db2.gz QEBXHIYAQAELLG-ZALBZXLWSA-N 2 0 279.428 1.602 10 0 CDAERP CN(C(=O)CC[C@H]1CC[NH2+]C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000261908449 392026426 /nfs/dbraw/zinc/02/64/26/392026426.db2.gz WDCJDQUTEWMIHL-GXTWGEPZSA-N 2 0 265.401 1.071 10 0 CDAERP C[C@@H]1CC[C@@H](O)C[NH+]1CCC[N@H+]1C[C@@H](O)CC[C@@H]1C ZINC000646144379 392094345 /nfs/dbraw/zinc/09/43/45/392094345.db2.gz PFZPLJHALLESIY-NMWPEEMBSA-N 2 0 270.417 1.067 10 0 CDAERP CO[C@@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C(F)(F)F ZINC000423066289 392312591 /nfs/dbraw/zinc/31/25/91/392312591.db2.gz DJLPYCWAQXXAHW-IXMYILBSSA-N 2 0 266.307 1.826 10 0 CDAERP CC(C)C[C@H]([NH2+]C[C@@H]1C[C@H]1C)C(=O)NCC[NH+](C)C ZINC000488427830 392356380 /nfs/dbraw/zinc/35/63/80/392356380.db2.gz GWZJQMZTVHWPNZ-RDBSUJKOSA-N 2 0 269.433 1.325 10 0 CDAERP CC1(C)CCC[N@@H+]1CCN[C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423158835 392397257 /nfs/dbraw/zinc/39/72/57/392397257.db2.gz DNYUWWNMZXGOPL-LSDHHAIUSA-N 2 0 281.444 1.217 10 0 CDAERP CN(C)C(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000568249695 392434765 /nfs/dbraw/zinc/43/47/65/392434765.db2.gz YFBXADJGDBIJQZ-JYJNAYRXSA-N 2 0 289.423 1.545 10 0 CDAERP C[NH2+]CCCN[C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000423198231 392435275 /nfs/dbraw/zinc/43/52/75/392435275.db2.gz DTYRKFZSHMRLCW-HOTGVXAUSA-N 2 0 277.412 1.687 10 0 CDAERP [NH3+]CC1(CC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000645889396 392473895 /nfs/dbraw/zinc/47/38/95/392473895.db2.gz HWQNUPPNVALBDQ-UHFFFAOYSA-N 2 0 271.324 1.335 10 0 CDAERP COc1ccccc1[C@H]([NH3+])CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000646600143 392588703 /nfs/dbraw/zinc/58/87/03/392588703.db2.gz DGAQQBIYWCKCRX-SGMGOOAPSA-N 2 0 291.395 1.199 10 0 CDAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](COC)CC2CCOCC2)C1 ZINC000657841247 413053712 /nfs/dbraw/zinc/05/37/12/413053712.db2.gz OKCBGPWIALTWJW-HOTGVXAUSA-N 2 0 284.444 1.750 10 0 CDAERP C[N@H+]1C[C@H]2CN(Cc3cc4cccnc4o3)C[C@H]2C1 ZINC000449285584 392750722 /nfs/dbraw/zinc/75/07/22/392750722.db2.gz FBVJYZSQUUCHQN-BETUJISGSA-N 2 0 257.337 1.821 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000517133274 392838555 /nfs/dbraw/zinc/83/85/55/392838555.db2.gz CLQSMJMXUDQTDM-AAEUAGOBSA-N 2 0 253.390 1.104 10 0 CDAERP C[C@@H]1CCC[C@@H](C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1 ZINC000517089016 392833593 /nfs/dbraw/zinc/83/35/93/392833593.db2.gz HESLDDKCYWPLJC-OAGGEKHMSA-N 2 0 283.460 1.011 10 0 CDAERP CC1CC[NH+](CCC[NH2+][C@H]2CCC(=O)NC2(C)C)CC1 ZINC000494876336 393118775 /nfs/dbraw/zinc/11/87/75/393118775.db2.gz DLIDZUYNROPNHU-AWEZNQCLSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H]1CC[C@@](CO)([N@H+](C)CC[C@H]2CCC[NH+]2C)C1 ZINC000495211260 393210143 /nfs/dbraw/zinc/21/01/43/393210143.db2.gz IAQGISGMZFIOHH-RBSFLKMASA-N 2 0 254.418 1.954 10 0 CDAERP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000459661767 393288225 /nfs/dbraw/zinc/28/82/25/393288225.db2.gz RQAGCYADAKEMPR-WBMJQRKESA-N 2 0 270.380 1.907 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]CCC(=O)Nc2ccccc2)C1 ZINC000656153908 413059784 /nfs/dbraw/zinc/05/97/84/413059784.db2.gz OOAZYMOGCJASQL-OTVXOJSOSA-N 2 0 275.396 1.945 10 0 CDAERP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[NH+](C)[C@H](C)C2)CC[N@@H+]1C ZINC000648794717 393364265 /nfs/dbraw/zinc/36/42/65/393364265.db2.gz BTEUFRBXQUFEPF-YIYPIFLZSA-N 2 0 267.417 1.268 10 0 CDAERP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)C(C)(C)C(F)F ZINC000657888181 413071730 /nfs/dbraw/zinc/07/17/30/413071730.db2.gz PAGPYFPSFPLYTK-SNVBAGLBSA-N 2 0 264.360 1.713 10 0 CDAERP O=C(CC[C@H]1CCC[NH2+]1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000261698408 140376772 /nfs/dbraw/zinc/37/67/72/140376772.db2.gz NWKCPDLWRGENHS-MRXNPFEDSA-N 2 0 293.455 1.853 10 0 CDAERP Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2C[C@]2(C)CC[NH2+]C2)cn1 ZINC000261761747 140385068 /nfs/dbraw/zinc/38/50/68/140385068.db2.gz LMMVUVPYGWGPSQ-ARFHVFGLSA-N 2 0 292.427 1.308 10 0 CDAERP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000261821487 140393757 /nfs/dbraw/zinc/39/37/57/140393757.db2.gz XZMCHPGKSZCKFN-MLGOLLRUSA-N 2 0 289.354 1.410 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCOc2c(OC)cccc21 ZINC000656201635 413101113 /nfs/dbraw/zinc/10/11/13/413101113.db2.gz SOEFBKFFERIXKN-TZMCWYRMSA-N 2 0 294.395 1.862 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000097093519 147120923 /nfs/dbraw/zinc/12/09/23/147120923.db2.gz VAUJYCBAFKRVAT-STQMWFEESA-N 2 0 267.417 1.495 10 0 CDAERP CCOC1CC([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)C1 ZINC000658107700 413206442 /nfs/dbraw/zinc/20/64/42/413206442.db2.gz NJFGNVZSEYHZHH-NFOMZHRRSA-N 2 0 271.449 1.416 10 0 CDAERP CCCn1cc(C[NH2+]CC2CC[NH+](C)CC2)cn1 ZINC000116916520 147280368 /nfs/dbraw/zinc/28/03/68/147280368.db2.gz AFTPGXQGSNUGOC-UHFFFAOYSA-N 2 0 250.390 1.725 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000178815442 148090747 /nfs/dbraw/zinc/09/07/47/148090747.db2.gz WBAVFTNLHQDPOV-FVCCEPFGSA-N 2 0 253.390 1.055 10 0 CDAERP C[C@]1(C(=O)N2CCC[N@@H+](C3CC3)CC2)CCCC[NH2+]1 ZINC000180997445 148173140 /nfs/dbraw/zinc/17/31/40/148173140.db2.gz MMDWDFWIHBEWRL-OAHLLOKOSA-N 2 0 265.401 1.215 10 0 CDAERP CCOCC[N@@H+]1CCN(C[C@]2(C)CC[NH2+]C2)C[C@H]1CC ZINC000262066093 149007589 /nfs/dbraw/zinc/00/75/89/149007589.db2.gz RRJKHTYGYMANDO-HZPDHXFCSA-N 2 0 283.460 1.419 10 0 CDAERP [NH3+]Cc1ccc(-c2noc(C[C@H]3CCC[NH2+]3)n2)cc1 ZINC000262089311 149014280 /nfs/dbraw/zinc/01/42/80/149014280.db2.gz URCXSHGYDCSGQY-GFCCVEGCSA-N 2 0 258.325 1.490 10 0 CDAERP C[C@@H](C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)C1C[NH2+]C1 ZINC000262397296 149057252 /nfs/dbraw/zinc/05/72/52/149057252.db2.gz OZNHRKCXHDVHKV-IUODEOHRSA-N 2 0 279.428 1.223 10 0 CDAERP C[C@H](NCCC[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309906160 149189105 /nfs/dbraw/zinc/18/91/05/149189105.db2.gz KINMFIVCXUNOJP-HOCLYGCPSA-N 2 0 261.413 1.835 10 0 CDAERP COCC[C@@H](COC)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000314278768 149252783 /nfs/dbraw/zinc/25/27/83/149252783.db2.gz JPIHVNMQSZKNFO-HNNXBMFYSA-N 2 0 293.411 1.692 10 0 CDAERP CNC(=O)c1cccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000334998744 150167764 /nfs/dbraw/zinc/16/77/64/150167764.db2.gz SZLIQCYOIWPZPC-IYBDPMFKSA-N 2 0 287.407 1.478 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000336819339 151724889 /nfs/dbraw/zinc/72/48/89/151724889.db2.gz ZISIWIIYIBTSEO-CHWSQXEVSA-N 2 0 264.369 1.934 10 0 CDAERP C[C@H]1CCC[N@H+](CCCC[NH2+]C2CCN(C(N)=O)CC2)C1 ZINC000343427086 152170167 /nfs/dbraw/zinc/17/01/67/152170167.db2.gz ZIYBNWXOPSBZGK-AWEZNQCLSA-N 2 0 296.459 1.631 10 0 CDAERP Cn1cc([C@H]([NH2+]CCn2ccnc2)C2(CO)CCC2)cn1 ZINC000660602165 413287236 /nfs/dbraw/zinc/28/72/36/413287236.db2.gz PBEVJRVQBZATPO-AWEZNQCLSA-N 2 0 289.383 1.110 10 0 CDAERP c1c([C@H]2CCC[NH2+]C2)nnn1CCC[NH+]1CCSCC1 ZINC000656449770 413300933 /nfs/dbraw/zinc/30/09/33/413300933.db2.gz GNVDHKBPKOGGBV-ZDUSSCGKSA-N 2 0 295.456 1.184 10 0 CDAERP c1c([C@@H]2CCC[NH2+]C2)nnn1CCC[NH+]1CCSCC1 ZINC000656449767 413301680 /nfs/dbraw/zinc/30/16/80/413301680.db2.gz GNVDHKBPKOGGBV-CYBMUJFWSA-N 2 0 295.456 1.184 10 0 CDAERP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)C1([NH2+]C2CC2)CCC1 ZINC000662686080 413312155 /nfs/dbraw/zinc/31/21/55/413312155.db2.gz AHXHQLXYVORCMV-UONOGXRCSA-N 2 0 277.412 1.404 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)[C@@H]([NH3+])COC(C)C)CC1 ZINC000662690285 413320171 /nfs/dbraw/zinc/32/01/71/413320171.db2.gz LVCSXFKWZUHYJI-AWEZNQCLSA-N 2 0 285.432 1.072 10 0 CDAERP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@H]2CCC(=O)N2)CC1 ZINC000658259706 413321148 /nfs/dbraw/zinc/32/11/48/413321148.db2.gz NSVZFOBDXPYEHZ-KBMXLJTQSA-N 2 0 293.455 1.898 10 0 CDAERP CCC([NH3+])(CC)CNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000363992865 159361840 /nfs/dbraw/zinc/36/18/40/159361840.db2.gz BNENQJYSRYZSLB-XHBSWPGZSA-N 2 0 297.443 1.153 10 0 CDAERP CCC[C@@H]1C[NH2+]CCN1C(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662765278 413459184 /nfs/dbraw/zinc/45/91/84/413459184.db2.gz RTEJFDAUPBFJKL-SNVBAGLBSA-N 2 0 280.372 1.083 10 0 CDAERP CCOCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001665597013 1173018017 /nfs/dbraw/zinc/01/80/17/1173018017.db2.gz CEWGVRRHKKJCNL-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP COc1ccc(C[NH2+]CCC[NH2+]CCO)cc1Cl ZINC000020967716 171281992 /nfs/dbraw/zinc/28/19/92/171281992.db2.gz VRQLWAGOVMBUJC-UHFFFAOYSA-N 2 0 272.776 1.410 10 0 CDAERP CCC[NH+]1CCN([C@@H](C[NH3+])c2ccsc2)CC1 ZINC000022167235 171366137 /nfs/dbraw/zinc/36/61/37/171366137.db2.gz BILHVDLLWCJHCV-ZDUSSCGKSA-N 2 0 253.415 1.776 10 0 CDAERP CN(C[C@H]([NH3+])c1ccc2c(c1)OCO2)C1CC[NH+](C)CC1 ZINC000022564537 171391786 /nfs/dbraw/zinc/39/17/86/171391786.db2.gz PFQAHUZCGPLPQB-AWEZNQCLSA-N 2 0 291.395 1.441 10 0 CDAERP CCC[NH2+][C@@H](C)C(=O)NCCC[N@H+](C)CC(C)C ZINC000653175987 412116838 /nfs/dbraw/zinc/11/68/38/412116838.db2.gz HNNJMKRHIQTROC-ZDUSSCGKSA-N 2 0 257.422 1.469 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000653214896 412143828 /nfs/dbraw/zinc/14/38/28/412143828.db2.gz GUFIJUOFCZLKKD-SWLSCSKDSA-N 2 0 275.396 1.540 10 0 CDAERP C[C@H]1CCCN(C(=O)c2ccc(C[NH3+])cc2)[C@@H]1CC[NH3+] ZINC000653232859 412153689 /nfs/dbraw/zinc/15/36/89/412153689.db2.gz KZBAFZLODOZJQP-SWLSCSKDSA-N 2 0 275.396 1.735 10 0 CDAERP CC[C@H]1CN(C(=O)c2cc(C(C)(C)[NH3+])no2)CC[C@@H]1[NH3+] ZINC000662776075 413481195 /nfs/dbraw/zinc/48/11/95/413481195.db2.gz UJFKWUOFXZOCKH-UWVGGRQHSA-N 2 0 280.372 1.068 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)[C@H]2[NH2+]CCC2(C)C)CC1 ZINC000662787964 413499422 /nfs/dbraw/zinc/49/94/22/413499422.db2.gz DKFCHXCUDKONQP-JXQTWKCFSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)[N@@H+]1CCCN(C(=O)c2cc(C(C)(C)[NH3+])no2)CC1 ZINC000662821164 413547523 /nfs/dbraw/zinc/54/75/23/413547523.db2.gz FHILENIUTQEQNW-UHFFFAOYSA-N 2 0 294.399 1.425 10 0 CDAERP CCO[C@@H]1C[N@H+](CCCOc2ccccc2)C[C@H]1C[NH3+] ZINC000405312914 413555426 /nfs/dbraw/zinc/55/54/26/413555426.db2.gz VCRFOJHULXXGLR-GDBMZVCRSA-N 2 0 278.396 1.751 10 0 CDAERP C[C@H]1CCCN(C(=O)c2cc(C(C)(C)[NH3+])no2)[C@@H]1CC[NH3+] ZINC000662828981 413561177 /nfs/dbraw/zinc/56/11/77/413561177.db2.gz JSJQQHSPGVRZOJ-WDEREUQCSA-N 2 0 294.399 1.458 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)C[NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000656709674 413588548 /nfs/dbraw/zinc/58/85/48/413588548.db2.gz QUEOTEDEKSUOSD-BARDWOONSA-N 2 0 254.418 1.713 10 0 CDAERP C[C@]1(CNc2ccc([C@H]3C[NH2+]CCO3)cc2)CC[NH2+]C1 ZINC000656794338 413660932 /nfs/dbraw/zinc/66/09/32/413660932.db2.gz ZARUZZJKJTXGNG-CVEARBPZSA-N 2 0 275.396 1.759 10 0 CDAERP CCN(C(=O)NCC1([NH+](C)C)CCC1)[C@@H]1CC[N@H+](C)C1 ZINC000664722009 413618216 /nfs/dbraw/zinc/61/82/16/413618216.db2.gz XOMAGZKZUUCFLF-CYBMUJFWSA-N 2 0 282.432 1.206 10 0 CDAERP CC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000312754591 413694310 /nfs/dbraw/zinc/69/43/10/413694310.db2.gz MYXFJORPXZMLJF-JJXSEGSLSA-N 2 0 284.444 1.315 10 0 CDAERP CC[NH2+][C@H](C)CNC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000659307551 413697626 /nfs/dbraw/zinc/69/76/26/413697626.db2.gz PCABHXUZYAHVBN-RISCZKNCSA-N 2 0 261.369 1.335 10 0 CDAERP CC[C@@H](C[NH+]1CCCC1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000654799917 413719048 /nfs/dbraw/zinc/71/90/48/413719048.db2.gz HHBIBKSQMZJTRB-KBPBESRZSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407422012 413959748 /nfs/dbraw/zinc/95/97/48/413959748.db2.gz LVDPANDLQZTOCO-RBSFLKMASA-N 2 0 281.444 1.610 10 0 CDAERP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)[C@@H]1CCOC1 ZINC000665235475 413963003 /nfs/dbraw/zinc/96/30/03/413963003.db2.gz WLJYQAVHYNFIDQ-WRQOLXDDSA-N 2 0 296.455 1.938 10 0 CDAERP CO[C@H](C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C)[C@@H]1CCOC1 ZINC000665235680 413964320 /nfs/dbraw/zinc/96/43/20/413964320.db2.gz YQSMAXQZHMKBCG-AXAPSJFSSA-N 2 0 293.411 1.551 10 0 CDAERP CC[NH+](CC)C[C@H](O)COc1ccc(C[NH3+])cc1 ZINC000037049757 172917027 /nfs/dbraw/zinc/91/70/27/172917027.db2.gz QODWRNGHCWLTSJ-ZDUSSCGKSA-N 2 0 252.358 1.227 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000665254350 413979708 /nfs/dbraw/zinc/97/97/08/413979708.db2.gz OHNYNGGJAQAHJX-OKILXGFUSA-N 2 0 298.475 1.746 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000659624618 414036243 /nfs/dbraw/zinc/03/62/43/414036243.db2.gz VVSHJQXVTURXCQ-UONOGXRCSA-N 2 0 284.448 1.343 10 0 CDAERP CC[NH+]1CCC([C@H](C)[NH2+]C2CCC(O)CC2)CC1 ZINC000037209787 173031165 /nfs/dbraw/zinc/03/11/65/173031165.db2.gz YUGYXZGVUWFKLK-GRTSSRMGSA-N 2 0 254.418 2.000 10 0 CDAERP Cc1ncsc1[C@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000037229198 173048719 /nfs/dbraw/zinc/04/87/19/173048719.db2.gz SXTFSYQZBVTFNL-LBPRGKRZSA-N 2 0 282.457 1.740 10 0 CDAERP C[NH+]1CCN(CC[NH2+]Cc2ccc(F)cc2F)CC1 ZINC000037496741 173235648 /nfs/dbraw/zinc/23/56/48/173235648.db2.gz PJXDBXMNHJXRHI-UHFFFAOYSA-N 2 0 269.339 1.302 10 0 CDAERP CCCN(C(=O)C[NH+]1CC[C@H](C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000655157408 414127994 /nfs/dbraw/zinc/12/79/94/414127994.db2.gz CFELTZZFYGSDBD-UONOGXRCSA-N 2 0 267.417 1.271 10 0 CDAERP c1cc(C[NH2+]C[C@@H]2CCOC2)n(-c2cc[nH+]cc2)n1 ZINC000657308736 414147917 /nfs/dbraw/zinc/14/79/17/414147917.db2.gz BEGAJXANVMZPCH-LBPRGKRZSA-N 2 0 258.325 1.393 10 0 CDAERP CCN(C(=O)NC1CC[NH+](CC)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000663454352 414261701 /nfs/dbraw/zinc/26/17/01/414261701.db2.gz KSFIIGZOFZVXRN-CQSZACIVSA-N 2 0 282.432 1.206 10 0 CDAERP CC[C@@H](CCO)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657396059 414281274 /nfs/dbraw/zinc/28/12/74/414281274.db2.gz FJOXPCPMQFMVGW-ZDUSSCGKSA-N 2 0 274.368 1.766 10 0 CDAERP CO[C@H](C[N@H+](C)C[C@@H]1CCC[NH+](C)C1)[C@H]1CCOC1 ZINC000659948779 414288871 /nfs/dbraw/zinc/28/88/71/414288871.db2.gz RGOHDRZWRLGACQ-QLFBSQMISA-N 2 0 270.417 1.312 10 0 CDAERP Cc1c[nH]c(C[NH2+]C2CCC(C[NH+](C)C)CC2)n1 ZINC000657414251 414298191 /nfs/dbraw/zinc/29/81/91/414298191.db2.gz MEGSGEGINKWUBW-UHFFFAOYSA-N 2 0 250.390 1.928 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCO1 ZINC000657423631 414312502 /nfs/dbraw/zinc/31/25/02/414312502.db2.gz JODXUQFRMRYIPQ-STQMWFEESA-N 2 0 272.352 1.924 10 0 CDAERP CCN(CC)C(=O)CC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000037752681 173676957 /nfs/dbraw/zinc/67/69/57/173676957.db2.gz ZBEVWUCIADFPHR-ZDUSSCGKSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)n1ccnc1C[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000657469106 414364717 /nfs/dbraw/zinc/36/47/17/414364717.db2.gz GRGGLPTXTMAPOA-NSHDSACASA-N 2 0 259.357 1.834 10 0 CDAERP c1nc2c([nH]1)C[C@@H]([NH2+]Cc1cc3n(n1)CCC3)CC2 ZINC000657470255 414367247 /nfs/dbraw/zinc/36/72/47/414367247.db2.gz OORJUAOXTMSHFY-JTQLQIEISA-N 2 0 257.341 1.200 10 0 CDAERP NC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657484570 414382434 /nfs/dbraw/zinc/38/24/34/414382434.db2.gz NYRVVFBIXKNTRO-NEPJUHHUSA-N 2 0 285.351 1.011 10 0 CDAERP OCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657441227 414333542 /nfs/dbraw/zinc/33/35/42/414333542.db2.gz SGXVWDCZGLESOJ-XJKSGUPXSA-N 2 0 286.379 1.908 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000661841737 414398836 /nfs/dbraw/zinc/39/88/36/414398836.db2.gz SKIMRTHKQLVIRQ-MGPQQGTHSA-N 2 0 252.402 1.754 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)CN1CC[C@@H](C)O[C@@H](C)C1 ZINC000661853749 414403014 /nfs/dbraw/zinc/40/30/14/414403014.db2.gz WSODGOAHWHGJCG-RDBSUJKOSA-N 2 0 258.406 1.187 10 0 CDAERP COCC1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000657504130 414404510 /nfs/dbraw/zinc/40/45/10/414404510.db2.gz CGLOPFJTWTZTKQ-UHFFFAOYSA-N 2 0 272.352 1.784 10 0 CDAERP CC(C)(C)CC[NH+]1CCN(C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662261449 414597142 /nfs/dbraw/zinc/59/71/42/414597142.db2.gz YVJCMBXNMXGEGE-AWEZNQCLSA-N 2 0 269.433 1.029 10 0 CDAERP Cc1cnc(CC[N@@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)s1 ZINC000662276975 414607805 /nfs/dbraw/zinc/60/78/05/414607805.db2.gz CDBAAFJIDKLSDX-LBPRGKRZSA-N 2 0 281.425 1.447 10 0 CDAERP Cc1cnn(CC[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000662292367 414618170 /nfs/dbraw/zinc/61/81/70/414618170.db2.gz FADHIMAMEGWNJX-INIZCTEOSA-N 2 0 276.428 1.903 10 0 CDAERP c1cn(C[C@H]2CC[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)nn1 ZINC000662294948 414620076 /nfs/dbraw/zinc/62/00/76/414620076.db2.gz IMWDVJQKDCWOEC-HNNXBMFYSA-N 2 0 297.406 1.446 10 0 CDAERP CCCC[C@H]([NH3+])C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000038029538 174020656 /nfs/dbraw/zinc/02/06/56/174020656.db2.gz FQTLWWNMUVRFDN-STQMWFEESA-N 2 0 255.406 1.495 10 0 CDAERP Cc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)N2CC[NH2+]CC2)s1 ZINC000040508028 174303192 /nfs/dbraw/zinc/30/31/92/174303192.db2.gz WDAKBESAQBHGAB-CQSZACIVSA-N 2 0 293.436 1.453 10 0 CDAERP Cc1cc(C)c(C(N)=[NH2+])c(N2CCC[N@@H+](C)CC2)n1 ZINC000040515072 174306522 /nfs/dbraw/zinc/30/65/22/174306522.db2.gz VCZFJQRSKPJBJQ-UHFFFAOYSA-N 2 0 261.373 1.124 10 0 CDAERP C[C@H]([NH2+]CCc1nccn1C)[C@H]1CCC[N@H+](C)C1 ZINC000040639013 174363289 /nfs/dbraw/zinc/36/32/89/174363289.db2.gz GGXUZWVLVUXYGR-STQMWFEESA-N 2 0 250.390 1.283 10 0 CDAERP CCOC1CC[NH+](C[C@@H](O)c2ccc(C[NH3+])cc2)CC1 ZINC000040678461 174374808 /nfs/dbraw/zinc/37/48/08/174374808.db2.gz JKUMUCOBZITDNT-MRXNPFEDSA-N 2 0 278.396 1.680 10 0 CDAERP CC(C)CN(CC[NH+](C)C)[C@H](c1cccnc1)[C@@H](C)[NH3+] ZINC000043348612 175018979 /nfs/dbraw/zinc/01/89/79/175018979.db2.gz OBLBFNHZTUCFDN-ZBFHGGJFSA-N 2 0 278.444 1.990 10 0 CDAERP CC[NH2+]CCCNC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000043559856 175065467 /nfs/dbraw/zinc/06/54/67/175065467.db2.gz SOIKGGJYMBJOOQ-FRRDWIJNSA-N 2 0 255.406 1.364 10 0 CDAERP CC(C)[C@H](CNC(=O)CC[C@@H]1CCC[NH2+]C1)[NH+](C)C ZINC000043591062 175073769 /nfs/dbraw/zinc/07/37/69/175073769.db2.gz KDBFFYKCOVMGMZ-KBPBESRZSA-N 2 0 269.433 1.469 10 0 CDAERP C[NH+](C)C1CCN(C[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000043596085 175077006 /nfs/dbraw/zinc/07/70/06/175077006.db2.gz UVWADSJHPBCDGP-QGZVFWFLSA-N 2 0 273.424 1.899 10 0 CDAERP CC[NH+](CC)Cc1ccccc1NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000043709109 175102549 /nfs/dbraw/zinc/10/25/49/175102549.db2.gz IYKKSGODVKLHMA-HNNXBMFYSA-N 2 0 291.395 1.455 10 0 CDAERP CCC[NH2+][C@H]1CCOC[C@H]1N1CC[NH+](CCC)CC1 ZINC000043805680 175107831 /nfs/dbraw/zinc/10/78/31/175107831.db2.gz GRUPQJILRJAXDL-LSDHHAIUSA-N 2 0 269.433 1.171 10 0 CDAERP CCCOc1ccc([C@H](CN2CC[NH+](C)CC2)[NH2+]C)cc1 ZINC000043810538 175109557 /nfs/dbraw/zinc/10/95/57/175109557.db2.gz ASJZQMIESNXSDL-KRWDZBQOSA-N 2 0 291.439 1.983 10 0 CDAERP CC[NH2+][C@@H]1c2ccccc2C[C@@H]1N1CC[NH+](C)CC1 ZINC000043810757 175110325 /nfs/dbraw/zinc/11/03/25/175110325.db2.gz DSBHRXZNPJHSSJ-JKSUJKDBSA-N 2 0 259.397 1.509 10 0 CDAERP CCC[NH2+][C@@H]1CCC[C@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815422 175112372 /nfs/dbraw/zinc/11/23/72/175112372.db2.gz OBBYORNMRXMURR-HUUCEWRRSA-N 2 0 253.434 1.933 10 0 CDAERP CC[NH2+][C@H]1c2ccccc2C[C@@H]1N1CCC[N@H+](C)CC1 ZINC000043818380 175112790 /nfs/dbraw/zinc/11/27/90/175112790.db2.gz KDEPEGBUIPBCMD-IRXDYDNUSA-N 2 0 273.424 1.899 10 0 CDAERP CCC[NH2+][C@H](C)CC[N@H+](CCOC)[C@@H](C)COC ZINC000043976109 175132520 /nfs/dbraw/zinc/13/25/20/175132520.db2.gz FPEDVKCVRPUJPW-KGLIPLIRSA-N 2 0 260.422 1.748 10 0 CDAERP CC(C)OC(=O)N1CCC[N@H+](CCCCC[NH3+])CC1 ZINC000044239599 175155400 /nfs/dbraw/zinc/15/54/00/175155400.db2.gz HJEJSSQLBKVOQT-UHFFFAOYSA-N 2 0 271.405 1.668 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CN3CCC2CC3)C1 ZINC000044364586 175167670 /nfs/dbraw/zinc/16/76/70/175167670.db2.gz IZSMTXJRLYXSEI-DZGCQCFKSA-N 2 0 251.418 1.401 10 0 CDAERP CCN(C(=O)C[NH+]1CCC(C[NH3+])CC1)c1ccc(F)cc1 ZINC000044514066 175189549 /nfs/dbraw/zinc/18/95/49/175189549.db2.gz LICSZUANOZCNQP-UHFFFAOYSA-N 2 0 293.386 1.849 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)C1(C[NH3+])CCCCCC1 ZINC000044763846 175247845 /nfs/dbraw/zinc/24/78/45/175247845.db2.gz QWIKTRWYQAZPEG-CYBMUJFWSA-N 2 0 269.433 1.742 10 0 CDAERP CCC[C@@H](C[NH3+])C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000044806465 175256504 /nfs/dbraw/zinc/25/65/04/175256504.db2.gz YFTYAHIYXLRWPM-QWHCGFSZSA-N 2 0 257.422 1.454 10 0 CDAERP C[NH+]1CCC(CNC(=O)[C@@H](C[NH3+])Cc2ccccc2)CC1 ZINC000044808396 175256920 /nfs/dbraw/zinc/25/69/20/175256920.db2.gz UDISDDPWTKEXML-MRXNPFEDSA-N 2 0 289.423 1.262 10 0 CDAERP CCC[NH2+][C@@](C)(CCN1CC[NH+](C(C)(C)C)CC1)C(N)=O ZINC000045279759 175350243 /nfs/dbraw/zinc/35/02/43/175350243.db2.gz VTRLNKIYNHILLT-INIZCTEOSA-N 2 0 298.475 1.036 10 0 CDAERP CCC[NH2+][C@@](C)(CCCC[NH+]1CCC(OC)CC1)C(N)=O ZINC000045389043 175374250 /nfs/dbraw/zinc/37/42/50/175374250.db2.gz SBDNXIOIIGYHBT-INIZCTEOSA-N 2 0 299.459 1.511 10 0 CDAERP CC[NH2+][C@@](C)(CCCCN1CCC([NH+](C)C)CC1)C(N)=O ZINC000045392466 175375558 /nfs/dbraw/zinc/37/55/58/175375558.db2.gz PHKSOSSHTOFEOE-INIZCTEOSA-N 2 0 298.475 1.036 10 0 CDAERP CCC[NH2+][C@@H]1CCN([C@H](CC(C)C)C[NH+](C)C)C1=O ZINC000071032005 176023203 /nfs/dbraw/zinc/02/32/03/176023203.db2.gz KIZQJLCKWPBSGD-ZIAGYGMSSA-N 2 0 269.433 1.563 10 0 CDAERP CC[NH2+][C@H]1CCCN(C[C@@H]2CCCC[N@@H+]2C)C1=O ZINC000071033669 176024422 /nfs/dbraw/zinc/02/44/22/176024422.db2.gz ZFSVUIKKZLFXGQ-STQMWFEESA-N 2 0 253.390 1.071 10 0 CDAERP CCC[NH2+][C@@H]1CCCN(CC(C)(C)C[NH+](C)C)C1=O ZINC000071036135 176025281 /nfs/dbraw/zinc/02/52/81/176025281.db2.gz LBBFAOPKMQZJIG-CYBMUJFWSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)[NH2+][C@@H]1CCN(CC[NH+](C(C)C)C(C)C)C1=O ZINC000071036150 176025405 /nfs/dbraw/zinc/02/54/05/176025405.db2.gz IGUBIFHSWDXTCM-CQSZACIVSA-N 2 0 269.433 1.704 10 0 CDAERP CC[NH2+][C@H]1CCCN(C[C@@H](C)[NH+]2CCCCC2)C1=O ZINC000071036396 176025942 /nfs/dbraw/zinc/02/59/42/176025942.db2.gz QNDALBYVDADNOW-KGLIPLIRSA-N 2 0 267.417 1.461 10 0 CDAERP CC(C)[NH2+][C@@H]1CCCN(C[C@@H](C)[NH+]2CCCCC2)C1=O ZINC000071036401 176026055 /nfs/dbraw/zinc/02/60/55/176026055.db2.gz JIDRDVXCHUEWEW-HUUCEWRRSA-N 2 0 281.444 1.850 10 0 CDAERP CC[NH+](CC)CCC[C@H](C)N1CCC[C@@H]([NH2+]C)C1=O ZINC000071038077 176026654 /nfs/dbraw/zinc/02/66/54/176026654.db2.gz ZWEWWNRCRTZHBD-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP CC[NH+](CC)CCC[C@H](C)N1CC[C@@H]([NH2+]C2CC2)C1=O ZINC000071038073 176026841 /nfs/dbraw/zinc/02/68/41/176026841.db2.gz YPFLXFBNKHXYTG-DZGCQCFKSA-N 2 0 281.444 1.850 10 0 CDAERP CC[NH2+][C@H]1CCC[C@@H]1CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191303 176070129 /nfs/dbraw/zinc/07/01/29/176070129.db2.gz JBRQRANJQNAGQQ-KFWWJZLASA-N 2 0 253.434 1.648 10 0 CDAERP CCC[NH2+]CC(C)(C)CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191508 176070149 /nfs/dbraw/zinc/07/01/49/176070149.db2.gz XROQDQDUPHAEKG-CQSZACIVSA-N 2 0 255.450 1.896 10 0 CDAERP C[N@H+](C[C@H]1CC[NH+](C)C1)CC1(CO)CCCCC1 ZINC000071191548 176070271 /nfs/dbraw/zinc/07/02/71/176070271.db2.gz ONHVPZJJSNXDFT-AWEZNQCLSA-N 2 0 254.418 1.813 10 0 CDAERP CC[NH2+][C@H]1CCCN(C[C@@H](C)C[NH+]2CCCC2)C1 ZINC000071200142 176077383 /nfs/dbraw/zinc/07/73/83/176077383.db2.gz WHFITJPDPXNANU-GJZGRUSLSA-N 2 0 253.434 1.792 10 0 CDAERP CN([C@@H]1CC[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000071309720 176116922 /nfs/dbraw/zinc/11/69/22/176116922.db2.gz LPHSECOWFAFQTG-HZPDHXFCSA-N 2 0 259.397 1.555 10 0 CDAERP CCC[C@@]1(C(=O)NCC[N@H+](C)C2CCCC2)CC[NH2+]C1 ZINC000071378518 176142850 /nfs/dbraw/zinc/14/28/50/176142850.db2.gz IQZZERXGRZZEFT-MRXNPFEDSA-N 2 0 281.444 1.757 10 0 CDAERP C[C@H]([NH3+])[C@H](c1ccco1)N1CC[NH+](CC(C)(C)O)CC1 ZINC000071380346 176145188 /nfs/dbraw/zinc/14/51/88/176145188.db2.gz JNDVBOMRCUXMFP-GXTWGEPZSA-N 2 0 281.400 1.056 10 0 CDAERP C[C@@H]1CN(C(=O)[C@H]2[NH2+]CCCC2(C)C)C[C@@]1(C)C[NH3+] ZINC000417832388 296905054 /nfs/dbraw/zinc/90/50/54/296905054.db2.gz IRQFKVIAEJPFEJ-LALPHHSUSA-N 2 0 267.417 1.208 10 0 CDAERP CCN1CC[NH+](C[C@@H](CC[NH3+])c2ccc[nH]2)CC1 ZINC000076655197 177044906 /nfs/dbraw/zinc/04/49/06/177044906.db2.gz OADFXOSYJYYOPX-CYBMUJFWSA-N 2 0 250.390 1.085 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)C[NH2+]CCF)CC[N@@H+]1C ZINC001666552318 1173150801 /nfs/dbraw/zinc/15/08/01/1173150801.db2.gz DUHOWMQZCYJXRY-FRRDWIJNSA-N 2 0 273.396 1.028 10 0 CDAERP CCC[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001666933902 1173209575 /nfs/dbraw/zinc/20/95/75/1173209575.db2.gz YNYOOHSXEBQZMF-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP C[NH+](C)CCC[C@H]1C[N@H+](C[C@H]2CCC(C)(C)O2)CCO1 ZINC000662324258 423953438 /nfs/dbraw/zinc/95/34/38/423953438.db2.gz STJTWVXIIUZIMG-LSDHHAIUSA-N 2 0 284.444 1.987 10 0 CDAERP C([N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663496043 423890678 /nfs/dbraw/zinc/89/06/78/423890678.db2.gz COGQIOAANSRQHU-XHSDSOJGSA-N 3 0 263.429 1.308 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+]C[C@H]2C[C@@H]2C)CC1 ZINC000663506894 423900202 /nfs/dbraw/zinc/90/02/02/423900202.db2.gz WZZMCNNXGRXGQO-QWHCGFSZSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000652225051 424084631 /nfs/dbraw/zinc/08/46/31/424084631.db2.gz OJUBVYYWGPEMHD-KBPBESRZSA-N 2 0 284.448 1.356 10 0 CDAERP CC[C@@H]([NH3+])CNC(=O)NCCC[N@H+](C)CC(C)C ZINC000652222347 424094926 /nfs/dbraw/zinc/09/49/26/424094926.db2.gz LQYMWSAWQNVMCJ-GFCCVEGCSA-N 2 0 258.410 1.001 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)NCCC2CC[NH2+]CC2)CC[N@@H+]1C ZINC000652314097 424221160 /nfs/dbraw/zinc/22/11/60/424221160.db2.gz UNFGAYKBSNTTJE-UKRRQHHQSA-N 2 0 296.459 1.500 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653105472 424252285 /nfs/dbraw/zinc/25/22/85/424252285.db2.gz XECKCJANXLRJLZ-GHMZBOCLSA-N 2 0 295.349 1.232 10 0 CDAERP CC1(C)CC[NH2+][C@H]1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000662682842 424310772 /nfs/dbraw/zinc/31/07/72/424310772.db2.gz JRWDWBIXUFRWNE-HNNXBMFYSA-N 2 0 293.455 1.709 10 0 CDAERP [NH3+]C[C@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000518959939 265249771 /nfs/dbraw/zinc/24/97/71/265249771.db2.gz SEJPMFLKMGGCKM-WCVJEAGWSA-N 2 0 293.455 1.885 10 0 CDAERP Cc1cnn(CC[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1 ZINC000652363918 424316818 /nfs/dbraw/zinc/31/68/18/424316818.db2.gz RXLGCXYXFHEUKY-BZUAXINKSA-N 2 0 292.427 1.552 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000660845044 424334808 /nfs/dbraw/zinc/33/48/08/424334808.db2.gz ZWSLNUQXVQYLTM-JSGCOSHPSA-N 2 0 294.443 1.395 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+][C@@H]2CC[C@@H](C)SC2)CC1 ZINC000655689205 424395362 /nfs/dbraw/zinc/39/53/62/424395362.db2.gz YRVIMXKISYMGIA-HUUCEWRRSA-N 2 0 285.501 1.888 10 0 CDAERP C[NH2+]C[C@@H]1CCCN(C(=O)NCC[C@@H]([NH3+])C(C)C)C1 ZINC000659619816 424415440 /nfs/dbraw/zinc/41/54/40/424415440.db2.gz UUFJPHBNZDDGSJ-QWHCGFSZSA-N 2 0 270.421 1.001 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000655489114 424503862 /nfs/dbraw/zinc/50/38/62/424503862.db2.gz MFIAGALFPUFXHL-XBXGTLAGSA-N 2 0 261.369 1.215 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000655489273 424506051 /nfs/dbraw/zinc/50/60/51/424506051.db2.gz NVFBSFTYOOYFNY-XGUBFFRZSA-N 2 0 281.444 1.741 10 0 CDAERP CO[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCOC1 ZINC000665234783 424470138 /nfs/dbraw/zinc/47/01/38/424470138.db2.gz KCNHEZDFWQQQFJ-GZBLMMOJSA-N 2 0 268.401 1.016 10 0 CDAERP [NH3+]CC12CCC(CC1)CN2C(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655481800 424475654 /nfs/dbraw/zinc/47/56/54/424475654.db2.gz LBWQOXYIQXHJDV-QSTLKDOJSA-N 2 0 277.412 1.106 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000530213134 271155833 /nfs/dbraw/zinc/15/58/33/271155833.db2.gz VFWTURFTNQFFCK-RHTUOURWSA-N 2 0 252.402 1.765 10 0 CDAERP CC[NH+](CC)CCC[N@@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000191479760 276096622 /nfs/dbraw/zinc/09/66/22/276096622.db2.gz MCJVKQRZAYPUBN-QWHCGFSZSA-N 2 0 255.406 1.304 10 0 CDAERP CC(C)(C)[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000373039347 277248337 /nfs/dbraw/zinc/24/83/37/277248337.db2.gz DAWGTTIFMQOSGT-ZIAGYGMSSA-N 2 0 281.444 1.837 10 0 CDAERP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CC1CC[NH+](C)CC1 ZINC000347513368 278189272 /nfs/dbraw/zinc/18/92/72/278189272.db2.gz DJUWYQRLWYFTQT-HUUCEWRRSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)C1CCCC1 ZINC000348307268 278338431 /nfs/dbraw/zinc/33/84/31/278338431.db2.gz HIRCQNUGPXMEME-CYBMUJFWSA-N 2 0 293.455 1.898 10 0 CDAERP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CC1CC[NH+](C)CC1 ZINC000335733525 288077667 /nfs/dbraw/zinc/07/76/67/288077667.db2.gz PQQLXCFCRPJHSP-UKRRQHHQSA-N 2 0 281.444 1.517 10 0 CDAERP CC(C)C[NH+]1CCC(NC(=O)N[C@H](C)[C@H](C)[NH3+])CC1 ZINC000416934125 278868811 /nfs/dbraw/zinc/86/88/11/278868811.db2.gz DBZHLMQOPOWTQN-NWDGAFQWSA-N 2 0 270.421 1.142 10 0 CDAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000236873880 279035766 /nfs/dbraw/zinc/03/57/66/279035766.db2.gz CQCNACCRLPASJY-VGWMRTNUSA-N 2 0 293.455 1.707 10 0 CDAERP CC[NH+](CC)CCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000249964693 279106948 /nfs/dbraw/zinc/10/69/48/279106948.db2.gz NMNGCSVTADZCSL-MCIONIFRSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000105148532 279124134 /nfs/dbraw/zinc/12/41/34/279124134.db2.gz OHYACJBXRVPBDO-CABCVRRESA-N 2 0 298.475 1.698 10 0 CDAERP CC(C)C[C@H](CNC(=O)[C@H]1CC[C@H]([NH3+])C1)[NH+](C)C ZINC000091546435 279161344 /nfs/dbraw/zinc/16/13/44/279161344.db2.gz QDBNIKKXTPEJLK-RWMBFGLXSA-N 2 0 255.406 1.206 10 0 CDAERP CC(C)C[C@H](CN[C@H](C1CC1)[C@@H]1C[NH2+]CCO1)[NH+](C)C ZINC000422815444 279164951 /nfs/dbraw/zinc/16/49/51/279164951.db2.gz BRYYFRLHRWYIJX-OWCLPIDISA-N 2 0 283.460 1.319 10 0 CDAERP CC(C)C[C@H]([NH3+])C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000038101721 279175160 /nfs/dbraw/zinc/17/51/60/279175160.db2.gz FQEASCCZCGNCKN-AWEZNQCLSA-N 2 0 267.417 1.447 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415105495 279179018 /nfs/dbraw/zinc/17/90/18/279179018.db2.gz IDKQADMTLQQTTR-ARFHVFGLSA-N 2 0 283.460 1.578 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000414706836 279180086 /nfs/dbraw/zinc/18/00/86/279180086.db2.gz OQQPUAXKKHDTGC-CABCVRRESA-N 2 0 269.433 1.014 10 0 CDAERP C[C@H](C(N)=O)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000246341236 279240596 /nfs/dbraw/zinc/24/05/96/279240596.db2.gz LKBXHGDFEYUOHK-MGPQQGTHSA-N 2 0 297.443 1.072 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000417581560 279271673 /nfs/dbraw/zinc/27/16/73/279271673.db2.gz GLKQWXOPABKVOV-QLFBSQMISA-N 2 0 294.443 1.397 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH+](C)C)CC1 ZINC000104846985 279275739 /nfs/dbraw/zinc/27/57/39/279275739.db2.gz DYXAPPGKAQUOKD-AWEZNQCLSA-N 2 0 267.417 1.413 10 0 CDAERP CC[NH2+]CCNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000418326165 279500775 /nfs/dbraw/zinc/50/07/75/279500775.db2.gz NNBXKSBCTWPVRU-UHFFFAOYSA-N 2 0 282.432 1.113 10 0 CDAERP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1CCC[NH+]1CCCCC1 ZINC000419345639 288161867 /nfs/dbraw/zinc/16/18/67/288161867.db2.gz UJWHLSAJIRXMIT-HZPDHXFCSA-N 2 0 283.460 1.249 10 0 CDAERP O=C(C[C@@H]1CCC[NH2+]1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371232385 279789008 /nfs/dbraw/zinc/78/90/08/279789008.db2.gz RXTUUYPMEOMNIY-RDBSUJKOSA-N 2 0 265.401 1.119 10 0 CDAERP Cc1cnn(CC[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1 ZINC000517031504 280968070 /nfs/dbraw/zinc/96/80/70/280968070.db2.gz IBQKQJUNUPBUIC-CABCVRRESA-N 2 0 278.400 1.020 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000517133284 280976505 /nfs/dbraw/zinc/97/65/05/280976505.db2.gz CLQSMJMXUDQTDM-YPMHNXCESA-N 2 0 253.390 1.104 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C[C@@H](O)C[NH+](C)C1CC1 ZINC000312852513 288298444 /nfs/dbraw/zinc/29/84/44/288298444.db2.gz GKSJIOBBMBXFNI-KBMXLJTQSA-N 2 0 281.444 1.000 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1CCCN1CCCO)[C@@H]1C[C@H]1C1CC1 ZINC000527713071 281175205 /nfs/dbraw/zinc/17/52/05/281175205.db2.gz JJJGFDNKPRLEQF-TUUVXOQKSA-N 2 0 266.429 1.857 10 0 CDAERP C[C@@H]([NH2+]C[C@H]1CCCCN1CCO)[C@@H]1C[C@H]1C1CC1 ZINC000527713114 281175215 /nfs/dbraw/zinc/17/52/15/281175215.db2.gz KISGUXBCHFUQBB-OJLVUWQFSA-N 2 0 266.429 1.857 10 0 CDAERP Cc1cncn1CC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000528468520 281237752 /nfs/dbraw/zinc/23/77/52/281237752.db2.gz BUNLBPRIFGTJOS-BETUJISGSA-N 2 0 278.400 1.571 10 0 CDAERP C[NH+](C)C1(CNC(=O)[C@H]2CCC[C@H]2[NH3+])CCCCC1 ZINC000085370711 282042156 /nfs/dbraw/zinc/04/21/56/282042156.db2.gz NDGQRYYXELFMMR-QWHCGFSZSA-N 2 0 267.417 1.495 10 0 CDAERP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C2C[NH2+]C2)C1 ZINC000263296869 288476038 /nfs/dbraw/zinc/47/60/38/288476038.db2.gz MMRNUGJYAJSKFW-CHWSQXEVSA-N 2 0 267.417 1.080 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000417909738 289102334 /nfs/dbraw/zinc/10/23/34/289102334.db2.gz DGCRQUFDPBTVOI-UXUKBGGZSA-N 2 0 282.432 1.143 10 0 CDAERP C[NH+](C)CC[C@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)C(C)(C)C ZINC000116567272 289182909 /nfs/dbraw/zinc/18/29/09/289182909.db2.gz NMEWJMVRVICOLO-KBPBESRZSA-N 2 0 298.475 1.698 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC000351970799 289352623 /nfs/dbraw/zinc/35/26/23/289352623.db2.gz JJFHEBFBHJWNGP-LSDHHAIUSA-N 2 0 281.444 1.707 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C(N)=O)nc2)[C@@H]2CCC[C@@H]21 ZINC000552244552 290062053 /nfs/dbraw/zinc/06/20/53/290062053.db2.gz FCEKNCDNZHTNPH-YDHLFZDLSA-N 2 0 288.395 1.143 10 0 CDAERP Cc1nn2c(C[NH2+]CC[C@H]3CCC[NH2+]C3)c(C)nc2s1 ZINC000556934086 290316846 /nfs/dbraw/zinc/31/68/46/290316846.db2.gz ITXFWQIGDJRVAD-GFCCVEGCSA-N 2 0 293.440 1.887 10 0 CDAERP [NH3+]C[C@H]1CC[C@H](CNC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000562822397 293206296 /nfs/dbraw/zinc/20/62/96/293206296.db2.gz IWJBLVZBJSWPCA-JNCCQOAMSA-N 2 0 294.443 1.287 10 0 CDAERP CC[NH+]1CCC(CNC(=O)N[C@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000567336361 293761047 /nfs/dbraw/zinc/76/10/47/293761047.db2.gz XKGRZXDYKMRWIP-OCCSQVGLSA-N 2 0 282.432 1.016 10 0 CDAERP CC[C@H](C)NC(=O)[C@H](C)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000570720730 294295840 /nfs/dbraw/zinc/29/58/40/294295840.db2.gz LNERMDDFHMENBO-YDHLFZDLSA-N 2 0 267.417 1.365 10 0 CDAERP Cn1cncc1CCC[N@@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000570939226 294337775 /nfs/dbraw/zinc/33/77/75/294337775.db2.gz FTLHOBKANJRGPX-UKRRQHHQSA-N 2 0 290.411 1.343 10 0 CDAERP COC(=O)CC[N@H+](C[C@@H]1CCCO1)C[C@@]1(C)CC[NH2+]C1 ZINC000574916855 295076879 /nfs/dbraw/zinc/07/68/79/295076879.db2.gz ITWWTUNNEXGEKP-ZFWWWQNUSA-N 2 0 284.400 1.030 10 0 CDAERP [NH3+]CC1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000262451379 295224544 /nfs/dbraw/zinc/22/45/44/295224544.db2.gz RNCIBTLHJLLFBW-MCIONIFRSA-N 2 0 265.401 1.104 10 0 CDAERP [NH3+][C@@H]1C[C@H](N[C@@H]2C[NH2+]CCC2(F)F)c2ccccc21 ZINC000423476650 295325570 /nfs/dbraw/zinc/32/55/70/295325570.db2.gz JFDIDXZEUBCAEM-FRRDWIJNSA-N 2 0 267.323 1.718 10 0 CDAERP O=C(C[C@H]1CC[NH2+]C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000089745545 295546417 /nfs/dbraw/zinc/54/64/17/295546417.db2.gz DACDZYNSDZRKJS-OAHLLOKOSA-N 2 0 279.428 1.320 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CCCF ZINC001669206566 1173517133 /nfs/dbraw/zinc/51/71/33/1173517133.db2.gz FKVMZCPWNQHJRQ-NNTXTVRGSA-N 2 0 285.407 1.482 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)CC[NH2+]1 ZINC000262380238 300395892 /nfs/dbraw/zinc/39/58/92/300395892.db2.gz NROZNXNCAZCAPR-XDQVBPFNSA-N 2 0 267.417 1.173 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000363651242 303431858 /nfs/dbraw/zinc/43/18/58/303431858.db2.gz KLULNXAGLMJXAV-ZNMIVQPWSA-N 2 0 273.380 1.345 10 0 CDAERP C[C@H](C(=O)N(C)CCC[NH2+]CCF)[NH+]1CCCCCC1 ZINC001670270895 1173668018 /nfs/dbraw/zinc/66/80/18/1173668018.db2.gz AZQOMZVOEYBHPV-CQSZACIVSA-N 2 0 287.423 1.659 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCCOC1 ZINC000563785358 316369694 /nfs/dbraw/zinc/36/96/94/316369694.db2.gz XMPKZGGWDWQXHT-CQSZACIVSA-N 2 0 272.352 1.844 10 0 CDAERP CC[NH2+]CCCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000563798403 316371501 /nfs/dbraw/zinc/37/15/01/316371501.db2.gz YFACIHVUEPCYDV-AGUYFDCRSA-N 2 0 282.432 1.301 10 0 CDAERP C[C@@H]1CCC[N@H+](CCNC(=O)N(C)CCC[NH+](C)C)C1 ZINC000185375641 323388687 /nfs/dbraw/zinc/38/86/87/323388687.db2.gz LESVZKQTSGXBMQ-CQSZACIVSA-N 2 0 284.448 1.311 10 0 CDAERP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1cnccn1 ZINC000389995165 323815204 /nfs/dbraw/zinc/81/52/04/323815204.db2.gz GNFQZROWOBAMKA-UONOGXRCSA-N 2 0 262.401 1.920 10 0 CDAERP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)CCN(C)c1cc[nH+]cc1 ZINC000578737912 324008544 /nfs/dbraw/zinc/00/85/44/324008544.db2.gz UDEJCSPAGBBHGV-HNNXBMFYSA-N 2 0 290.411 1.461 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000579073107 324094532 /nfs/dbraw/zinc/09/45/32/324094532.db2.gz UVTXBLDYASFNGG-HNNXBMFYSA-N 2 0 296.459 1.596 10 0 CDAERP [NH3+][C@H](CC(F)F)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000582544906 324996480 /nfs/dbraw/zinc/99/64/80/324996480.db2.gz BTUUOXKYJXEEPQ-VQXHTEKXSA-N 2 0 275.343 1.102 10 0 CDAERP C[C@H]([NH3+])C1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000583263336 325140152 /nfs/dbraw/zinc/14/01/52/325140152.db2.gz DXRXGVKKJSMDNB-NSHDSACASA-N 2 0 276.384 1.347 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)CN2CC(C)(C)C2)[C@@H](C)C1 ZINC000583701921 325226320 /nfs/dbraw/zinc/22/63/20/325226320.db2.gz DOINMBWVYOEUBA-KBPBESRZSA-N 2 0 281.444 1.517 10 0 CDAERP C[C@@H](CC(=O)N1CC2CCC1(C[NH3+])CC2)[C@@H]1CCC[NH2+]C1 ZINC000584120795 327043887 /nfs/dbraw/zinc/04/38/87/327043887.db2.gz YFLMRCXJRKPAQG-UJEKJILKSA-N 2 0 293.455 1.742 10 0 CDAERP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccccc1-n1ccnn1 ZINC000584226276 327068741 /nfs/dbraw/zinc/06/87/41/327068741.db2.gz JJVYYKPXIKWAND-KCQAQPDRSA-N 2 0 285.395 1.916 10 0 CDAERP CCC[NH2+]C[C@H](CC(C)C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001698874255 1159151961 /nfs/dbraw/zinc/15/19/61/1159151961.db2.gz SUNBQCNRIBWQBV-GJZGRUSLSA-N 2 0 283.460 1.859 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000423114075 1159681598 /nfs/dbraw/zinc/68/15/98/1159681598.db2.gz LGJBSOHJQYXAKG-LSDHHAIUSA-N 2 0 278.396 1.724 10 0 CDAERP C[C@]1(C(=O)NCCC[NH+]2CCCCC2)CCC[NH2+]1 ZINC000079511640 482388808 /nfs/dbraw/zinc/38/88/08/482388808.db2.gz CWIINKHDXSELGN-CQSZACIVSA-N 2 0 253.390 1.121 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000652291753 482459081 /nfs/dbraw/zinc/45/90/81/482459081.db2.gz GMAIWMWMJKUHPE-QWHCGFSZSA-N 2 0 290.411 1.298 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(C[NH3+])o1 ZINC000164989443 482558487 /nfs/dbraw/zinc/55/84/87/482558487.db2.gz YTPHLORORSFVQI-NSHDSACASA-N 2 0 265.357 1.343 10 0 CDAERP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000680499258 482646182 /nfs/dbraw/zinc/64/61/82/482646182.db2.gz JHRJVIRTMKONCB-ZFWWWQNUSA-N 2 0 296.459 1.452 10 0 CDAERP Cc1nc([C@](C)(NCCn2ccnc2C)C2CC2)no1 ZINC000645024355 482670216 /nfs/dbraw/zinc/67/02/16/482670216.db2.gz ZMNZPBJDDNWJIW-CQSZACIVSA-N 2 0 275.356 1.798 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000334341761 482718868 /nfs/dbraw/zinc/71/88/68/482718868.db2.gz JLGTTYQFHCFXBT-INIZCTEOSA-N 2 0 273.380 1.361 10 0 CDAERP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000237894379 482782370 /nfs/dbraw/zinc/78/23/70/482782370.db2.gz XDKZIYAFEAHSPF-BFHYXJOUSA-N 2 0 267.417 1.542 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000389537016 482833499 /nfs/dbraw/zinc/83/34/99/482833499.db2.gz DQGMVRVIFZDOMX-AVGNSLFASA-N 2 0 253.390 1.104 10 0 CDAERP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC/C=C\C[NH3+])C1 ZINC000669406524 482908855 /nfs/dbraw/zinc/90/88/55/482908855.db2.gz VAQUUPCJACLBQL-ZFDPJTLLSA-N 2 0 282.432 1.311 10 0 CDAERP C[N@H+](CCN1CC[NH2+]CC1)CCC(C)(C)C1CC1 ZINC000406134501 482967866 /nfs/dbraw/zinc/96/78/66/482967866.db2.gz YTWVWBDPVHYSFQ-UHFFFAOYSA-N 2 0 253.434 1.650 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000250047489 483013224 /nfs/dbraw/zinc/01/32/24/483013224.db2.gz WHWQDDUBGYUOBM-AVGNSLFASA-N 2 0 255.406 1.208 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000089461579 483088178 /nfs/dbraw/zinc/08/81/78/483088178.db2.gz HPVPTKYATTZMNI-UKRRQHHQSA-N 2 0 279.428 1.448 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCCCCn1ccnc1 ZINC000089461098 483088195 /nfs/dbraw/zinc/08/81/95/483088195.db2.gz QYAHNFYUYOAIBR-STQMWFEESA-N 2 0 264.373 1.155 10 0 CDAERP Cn1c2ccc(C[NH2+][C@@H]3CCC[C@H]([NH3+])C3)cc2sc1=O ZINC000666853945 483185611 /nfs/dbraw/zinc/18/56/11/483185611.db2.gz RWHALFBFENWBBO-NWDGAFQWSA-N 2 0 291.420 1.960 10 0 CDAERP CC[C@H](Cn1cncn1)[NH2+][C@H]1CCN(CC2CC2)C1 ZINC000685647289 483198052 /nfs/dbraw/zinc/19/80/52/483198052.db2.gz QHRILNTVMOMRKV-KGLIPLIRSA-N 2 0 263.389 1.131 10 0 CDAERP C[NH2+]Cc1ccc(NC(=O)N[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000667843244 483457840 /nfs/dbraw/zinc/45/78/40/483457840.db2.gz QELBJHQXYDGJPL-CQSZACIVSA-N 2 0 276.384 1.622 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000667936429 483484647 /nfs/dbraw/zinc/48/46/47/483484647.db2.gz KEZDOJFGBGVRHC-ZNMIVQPWSA-N 2 0 270.417 1.500 10 0 CDAERP COC[C@H](C)[N@@H+]1CC[C@](C)(NC(=O)CCCC[NH+](C)C)C1 ZINC001671683957 1160735947 /nfs/dbraw/zinc/73/59/47/1160735947.db2.gz IBHBWPZDKXVJES-HOCLYGCPSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)C[NH2+]C[C@H](C)N1CCC(C[NH+](C)C)CC1 ZINC000052515212 519745619 /nfs/dbraw/zinc/74/56/19/519745619.db2.gz CRILADVNJLXCCT-AWEZNQCLSA-N 2 0 255.450 1.894 10 0 CDAERP CC(C)[C@@H](C[NH2+]C(C)(C)C)N1CCN(CC[NH+](C)C)CC1 ZINC000061654976 519794750 /nfs/dbraw/zinc/79/47/50/519794750.db2.gz XEBDPGUJQLITLJ-MRXNPFEDSA-N 2 0 298.519 1.578 10 0 CDAERP CCC[NH2+]Cc1cccnc1N1CC[C@H]([NH+](C)C)C1 ZINC000062971177 519957198 /nfs/dbraw/zinc/95/71/98/519957198.db2.gz JZJUPOUFARHUIJ-AWEZNQCLSA-N 2 0 262.401 1.722 10 0 CDAERP CCC[NH2+]Cc1cn(CC[N@H+](CC)CC(C)C)nn1 ZINC000052449732 519962178 /nfs/dbraw/zinc/96/21/78/519962178.db2.gz FHULLSGVPMZMRA-UHFFFAOYSA-N 2 0 267.421 1.756 10 0 CDAERP CCC[NH2+][C@@H](C)[C@H](C)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062979372 519987232 /nfs/dbraw/zinc/98/72/32/519987232.db2.gz PLMLQKLXMAACOE-KKUMJFAQSA-N 2 0 253.434 1.933 10 0 CDAERP CCOCC[NH2+]C[C@@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001483933135 1161241915 /nfs/dbraw/zinc/24/19/15/1161241915.db2.gz DKLCBPNJRKEBSE-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)[NH+]1CCC([C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001486440704 1161456278 /nfs/dbraw/zinc/45/62/78/1161456278.db2.gz YDHLVEOSVIJNNG-HUUCEWRRSA-N 2 0 295.471 1.953 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1CC1(C[NH3+])CCCCC1 ZINC000061653519 521865038 /nfs/dbraw/zinc/86/50/38/521865038.db2.gz UXPOKMUIBHDRCH-CQSZACIVSA-N 2 0 253.434 1.922 10 0 CDAERP C[NH2+]Cc1ccc(OCCOCCC[NH+](C)C)cc1 ZINC000052672469 522121503 /nfs/dbraw/zinc/12/15/03/522121503.db2.gz WKNVJYPGLIBNSH-UHFFFAOYSA-N 2 0 266.385 1.753 10 0 CDAERP C(C[C@H]1CCCC[NH2+]1)C[NH+]1CCN(C2CC2)CC1 ZINC000050953345 518396917 /nfs/dbraw/zinc/39/69/17/518396917.db2.gz XLVIKZOMMKZCOH-CQSZACIVSA-N 2 0 251.418 1.689 10 0 CDAERP CC(C)(C)[NH2+]C[C@H]1CC[C@@H](C[NH+]2CCN(C3CC3)CC2)O1 ZINC000052371407 518762062 /nfs/dbraw/zinc/76/20/62/518762062.db2.gz JVUCWMGSTDJABJ-CVEARBPZSA-N 2 0 295.471 1.702 10 0 CDAERP CC(C)[NH+]1CCN(c2ncc([C@@H](C)[NH3+])s2)CC1 ZINC000054895663 519685098 /nfs/dbraw/zinc/68/50/98/519685098.db2.gz ZUCWRLDFDRCBJA-SNVBAGLBSA-N 2 0 254.403 1.693 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000055088812 519716278 /nfs/dbraw/zinc/71/62/78/519716278.db2.gz WRQLGQRYQBEOGE-KBPBESRZSA-N 2 0 269.433 1.550 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)Cc2cnn(C)c2)O1 ZINC000052570425 519723924 /nfs/dbraw/zinc/72/39/24/519723924.db2.gz ATGJWXPBMJVUPM-LSDHHAIUSA-N 2 0 280.416 1.398 10 0 CDAERP CC(C)C[NH+]1CCN(C2(C[NH3+])C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000055078543 519725161 /nfs/dbraw/zinc/72/51/61/519725161.db2.gz JSFACURZYRIMBR-SJPCQFCGSA-N 3 0 294.487 1.214 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CC[C@@H](C[N@@H+]2CCC[C@@H]2CN(C)C)O1 ZINC000061654525 519745300 /nfs/dbraw/zinc/74/53/00/519745300.db2.gz JZUWXZXRJOAIHT-IKGGRYGDSA-N 2 0 297.487 1.806 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CC[C@@H](C[NH+]2CCSCC2)O1 ZINC000052443298 519745334 /nfs/dbraw/zinc/74/53/34/519745334.db2.gz OBYLZYFYFRFZCW-KBPBESRZSA-N 2 0 272.458 1.828 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000049220774 519814266 /nfs/dbraw/zinc/81/42/66/519814266.db2.gz PAMDNOJPOJGEOA-GJZGRUSLSA-N 2 0 277.412 1.779 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@H](C[NH+]2CCC(OC)CC2)O1 ZINC000052455412 519927614 /nfs/dbraw/zinc/92/76/14/519927614.db2.gz LLDPQPKYHQMJJD-LSDHHAIUSA-N 2 0 270.417 1.644 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)[C@@H](C)COC)O1 ZINC000052511880 519928026 /nfs/dbraw/zinc/92/80/26/519928026.db2.gz SNEJUUGXEBLBDE-MELADBBJSA-N 2 0 258.406 1.500 10 0 CDAERP CCC[NH2+]C[C@H]1CCC[N@H+](CCCC(=O)NC)C1 ZINC000068847545 519934585 /nfs/dbraw/zinc/93/45/85/519934585.db2.gz DBTZYLNTSPWZFN-CYBMUJFWSA-N 2 0 255.406 1.224 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)C2CCOCC2)O1 ZINC000052481257 519977385 /nfs/dbraw/zinc/97/73/85/519977385.db2.gz BEQIMACKLXCSOB-KGLIPLIRSA-N 2 0 256.390 1.254 10 0 CDAERP CC[NH2+]Cc1occc1CN1CCC[C@@H]1C[NH+](C)C ZINC000061654410 520030554 /nfs/dbraw/zinc/03/05/54/520030554.db2.gz CDTFIDALACZKRP-CQSZACIVSA-N 2 0 265.401 1.915 10 0 CDAERP CCC[C@@H]([NH2+]CC)[C@H](CC)N1CCN(CC[NH+](C)C)CC1 ZINC000061643975 520771689 /nfs/dbraw/zinc/77/16/89/520771689.db2.gz RUGOSACTMQEMPL-SJORKVTESA-N 2 0 298.519 1.722 10 0 CDAERP CCCCOCCOC[C@@H](O)C[NH2+][C@H](C)CC[NH+](C)C ZINC000049557218 520789065 /nfs/dbraw/zinc/78/90/65/520789065.db2.gz PONKUMDVVAXVRW-CABCVRRESA-N 2 0 290.448 1.110 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(c2nc3c(cc2C[NH3+])CCC3)C1 ZINC000062976897 520848589 /nfs/dbraw/zinc/84/85/89/520848589.db2.gz GQVNWWKQEZOZPU-OAHLLOKOSA-N 2 0 288.439 1.950 10 0 CDAERP CC1CC[NH+](CCNC(=O)[C@H]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000055162019 521012932 /nfs/dbraw/zinc/01/29/32/521012932.db2.gz HZPPATMJHWTRLH-CABCVRRESA-N 2 0 281.444 1.600 10 0 CDAERP CC1CC[NH+](CCNC(=O)[C@H]2C[C@@H]([NH3+])CC[C@@H]2C)CC1 ZINC000055136671 521013549 /nfs/dbraw/zinc/01/35/49/521013549.db2.gz PMXCHRABTJOCJJ-KKUMJFAQSA-N 2 0 281.444 1.598 10 0 CDAERP CCC[C@H]([NH3+])C(=O)NCC1CC[NH+](CCC)CC1 ZINC000236847071 521111870 /nfs/dbraw/zinc/11/18/70/521111870.db2.gz WJVZZTSTPKQXEG-ZDUSSCGKSA-N 2 0 255.406 1.352 10 0 CDAERP CCC[C@H]([NH3+])[C@@H](CC)N1CCN(CC[NH+](C)C)CC1 ZINC000061643864 521121561 /nfs/dbraw/zinc/12/15/61/521121561.db2.gz UMNOMJGVPJKEMT-LSDHHAIUSA-N 2 0 270.465 1.072 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@H]2C[C@@H]([NH3+])CC[C@@H]2C)CC1 ZINC000055140062 521551628 /nfs/dbraw/zinc/55/16/28/521551628.db2.gz SLBZBLDMVNTZAD-QEJZJMRPSA-N 2 0 281.444 1.598 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000055147766 521555600 /nfs/dbraw/zinc/55/56/00/521555600.db2.gz HNPMPAJPWQMMCX-KGLIPLIRSA-N 2 0 281.444 1.694 10 0 CDAERP CC[NH+]1CCC(N(C)[C@@H](C)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000053496719 521567274 /nfs/dbraw/zinc/56/72/74/521567274.db2.gz OJNBWMQVNGXOLC-HOCLYGCPSA-N 2 0 283.460 1.560 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)COc2ccc(C[NH3+])cc2)C1 ZINC000049192130 521617939 /nfs/dbraw/zinc/61/79/39/521617939.db2.gz USKWXRSYJMXXDB-CQSZACIVSA-N 2 0 291.395 1.125 10 0 CDAERP CCC[N@H+](CCn1cccn1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000049326206 521674237 /nfs/dbraw/zinc/67/42/37/521674237.db2.gz IXANVCFUYFFLHZ-YIONKMFJSA-N 2 0 262.401 1.878 10 0 CDAERP C[NH+](C)CCN1CC[NH+]([C@H]2CNc3ccccc3C2)CC1 ZINC000061644754 521769026 /nfs/dbraw/zinc/76/90/26/521769026.db2.gz WBDFQDJTPWCLRA-MRXNPFEDSA-N 2 0 288.439 1.202 10 0 CDAERP CN(C)C[C@@H]1CCC[N@@H+]1CCCOc1ccccc1C[NH3+] ZINC000061642499 521839205 /nfs/dbraw/zinc/83/92/05/521839205.db2.gz XFISDGMTCZSGER-INIZCTEOSA-N 2 0 291.439 1.940 10 0 CDAERP COCC[C@H]([NH3+])C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000052792148 521949733 /nfs/dbraw/zinc/94/97/33/521949733.db2.gz UHIGVQGHNCJFCY-ZDUSSCGKSA-N 2 0 265.357 1.051 10 0 CDAERP C[NH2+]C[C@@H](c1ccccc1)N1CC[NH+](C(C)C)CC1 ZINC000052480153 522038088 /nfs/dbraw/zinc/03/80/88/522038088.db2.gz XBQANCYSXQOQOJ-INIZCTEOSA-N 2 0 261.413 1.973 10 0 CDAERP C[NH2+]C[C@H]1CC[C@H](C[N@H+](C)CCc2ccncc2)O1 ZINC000052483141 522096472 /nfs/dbraw/zinc/09/64/72/522096472.db2.gz QKYDCBRQWWDHSX-HUUCEWRRSA-N 2 0 263.385 1.323 10 0 CDAERP C[NH2+]Cc1ccc(CN2CCC[C@H]2C[NH+](C)C)o1 ZINC000061654486 522116025 /nfs/dbraw/zinc/11/60/25/522116025.db2.gz HCJJDZAVUBQEPY-LBPRGKRZSA-N 2 0 251.374 1.525 10 0 CDAERP C[NH2+]Cc1ccc(N2CC[C@@H]([NH+]3CCCCC3)C2)nc1 ZINC000062971500 522119520 /nfs/dbraw/zinc/11/95/20/522119520.db2.gz YCCJMRLDULDMBX-OAHLLOKOSA-N 2 0 274.412 1.866 10 0 CDAERP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055077714 522366836 /nfs/dbraw/zinc/36/68/36/522366836.db2.gz XXZZGAUARDMGFD-AGIUHOORSA-N 2 0 255.406 1.303 10 0 CDAERP CC[C@@H]([NH3+])[C@@H](N1CCC[C@@H]1C[NH+](C)C)C(F)(F)F ZINC000061642252 522647363 /nfs/dbraw/zinc/64/73/63/522647363.db2.gz ITMIIJFFCBPHDE-GMTAPVOTSA-N 2 0 267.339 1.681 10 0 CDAERP COC[C@H](O)C[N@H+](C)[C@@H](CC[NH3+])c1ccccc1 ZINC000055017115 522782424 /nfs/dbraw/zinc/78/24/24/522782424.db2.gz FWYSTWSJCULTNR-KGLIPLIRSA-N 2 0 252.358 1.016 10 0 CDAERP CN(CC[NH2+]Cc1ccccc1)CC[NH+]1CCCC1 ZINC000063054278 522866411 /nfs/dbraw/zinc/86/64/11/522866411.db2.gz GCSVECGTVKWEKB-UHFFFAOYSA-N 2 0 261.413 1.804 10 0 CDAERP CC[C@](C)(C[NH2+]C)CN1CC[NH+](CC(C)C)CC1 ZINC000055081737 523464847 /nfs/dbraw/zinc/46/48/47/523464847.db2.gz RVIXKCLARDWCRA-OAHLLOKOSA-N 2 0 255.450 1.896 10 0 CDAERP COCC[N@H+](CCCC[C@@](C)([NH2+]C(C)C)C(N)=O)C1CC1 ZINC000045422870 523693328 /nfs/dbraw/zinc/69/33/28/523693328.db2.gz WSOVLUULSLNILC-MRXNPFEDSA-N 2 0 299.459 1.510 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000055077700 523948952 /nfs/dbraw/zinc/94/89/52/523948952.db2.gz GHHIOECHSOXJNX-NWDGAFQWSA-N 2 0 255.406 1.303 10 0 CDAERP CC[C@H](C)N1CC[NH+](CC2CCC([NH3+])CC2)CC1 ZINC000055083560 523952348 /nfs/dbraw/zinc/95/23/48/523952348.db2.gz MJUZQYQREJOFCV-NFOMZHRRSA-N 2 0 253.434 1.920 10 0 CDAERP CC[C@H](C)[NH2+]CC(=O)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055078380 524003478 /nfs/dbraw/zinc/00/34/78/524003478.db2.gz XUZBEUFAAVTFQN-STQMWFEESA-N 2 0 255.406 1.317 10 0 CDAERP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000055086612 524045612 /nfs/dbraw/zinc/04/56/12/524045612.db2.gz JLNAPWYGCGMULT-VXGBXAGGSA-N 2 0 255.406 1.208 10 0 CDAERP C[C@H](C[NH3+])CN1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000049312091 524307480 /nfs/dbraw/zinc/30/74/80/524307480.db2.gz JGZRBYIQBRJDCP-GFCCVEGCSA-N 2 0 297.365 1.168 10 0 CDAERP C[C@H]1CC[C@@H]([NH3+])C[C@@H]1C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC000055141095 524360274 /nfs/dbraw/zinc/36/02/74/524360274.db2.gz AAFIIQKTWRCLNQ-MJBXVCDLSA-N 2 0 281.444 1.693 10 0 CDAERP C[C@@H](C[NH3+])CN1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000049312090 524583183 /nfs/dbraw/zinc/58/31/83/524583183.db2.gz JGZRBYIQBRJDCP-LBPRGKRZSA-N 2 0 297.365 1.168 10 0 CDAERP C[C@H]1C[C@@H]([NH3+])CC[C@@H]1C(=O)NCCC[NH+]1CCCC1 ZINC000062073419 524789443 /nfs/dbraw/zinc/78/94/43/524789443.db2.gz MPGJHPCSLQZUGJ-IHRRRGAJSA-N 2 0 267.417 1.352 10 0 CDAERP C[C@H]([NH3+])[C@H](c1ccco1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062977505 524853593 /nfs/dbraw/zinc/85/35/93/524853593.db2.gz HDHRABXIAPFXAE-KCQAQPDRSA-N 2 0 263.385 1.838 10 0 CDAERP C[C@H]([NH3+])[C@H](c1ccco1)N1CCC[C@@H]1C[NH+](C)C ZINC000061642088 524854565 /nfs/dbraw/zinc/85/45/65/524854565.db2.gz ITKVUUHXKQONBR-OUCADQQQSA-N 2 0 251.374 1.694 10 0 CDAERP Cc1cc(F)ccc1C[NH2+]CCN1CC[NH+](C)CC1 ZINC000050576657 524976635 /nfs/dbraw/zinc/97/66/35/524976635.db2.gz TULPEDQBKGOWCU-UHFFFAOYSA-N 2 0 265.376 1.471 10 0 CDAERP C[C@@H]([NH3+])[C@@H](c1ccco1)N1CCC[C@@H]1C[NH+](C)C ZINC000061642087 525006062 /nfs/dbraw/zinc/00/60/62/525006062.db2.gz ITKVUUHXKQONBR-BZPMIXESSA-N 2 0 251.374 1.694 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]([NH3+])C(C)(C)C)CC[N@@H+]1C ZINC000237378602 525415821 /nfs/dbraw/zinc/41/58/21/525415821.db2.gz BHDWIVPTNXKBKP-IJLUTSLNSA-N 2 0 255.406 1.301 10 0 CDAERP C[C@@H]1C[C@H]([NH3+])CC[C@@H]1C(=O)NCC(C)(C)[NH+](C)C ZINC000055141743 525417764 /nfs/dbraw/zinc/41/77/64/525417764.db2.gz PPSPHWJRFDCQQU-UTUOFQBUSA-N 2 0 255.406 1.206 10 0 CDAERP COc1cccc(CN(C)C2(C[NH3+])CC[NH+](C)CC2)c1 ZINC000048893674 525913652 /nfs/dbraw/zinc/91/36/52/525913652.db2.gz UVFWUCPTSLHRGN-UHFFFAOYSA-N 2 0 277.412 1.550 10 0 CDAERP C[C@H]1CCCC[C@]1(C[NH3+])N1CCN(CC[NH+](C)C)CC1 ZINC000061643201 526263211 /nfs/dbraw/zinc/26/32/11/526263211.db2.gz GUTNKGJXBQFJLQ-JKSUJKDBSA-N 2 0 282.476 1.073 10 0 CDAERP c1cnc(N2CC[NH+](CCC[C@H]3CCCC[NH2+]3)CC2)nc1 ZINC000050952369 526541710 /nfs/dbraw/zinc/54/17/10/526541710.db2.gz WTOQAIHGOJMGBZ-OAHLLOKOSA-N 2 0 289.427 1.521 10 0 CDAERP NC(=[NH2+])c1cc(CN2CC[C@H]([NH+]3CCCC3)C2)ccn1 ZINC000068761974 526819996 /nfs/dbraw/zinc/81/99/96/526819996.db2.gz NSRVIDFUSASFMN-ZDUSSCGKSA-N 2 0 273.384 1.036 10 0 CDAERP [NH3+]C[C@@H]1CC[C@@H](C[NH+]2CCN(c3ccc(F)cc3)CC2)O1 ZINC000052418214 527218039 /nfs/dbraw/zinc/21/80/39/527218039.db2.gz QIYLRQWYAFSIHT-HOTGVXAUSA-N 2 0 293.386 1.454 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000055088889 527342814 /nfs/dbraw/zinc/34/28/14/527342814.db2.gz GSMHJZSSATXMHK-HZPDHXFCSA-N 2 0 293.455 1.981 10 0 CDAERP [NH3+][C@@H]1CCC[C@H](C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000246204355 527356434 /nfs/dbraw/zinc/35/64/34/527356434.db2.gz FGACNBXWXNGJKK-SOUVJXGZSA-N 2 0 279.428 1.448 10 0 CDAERP C[NH2+][C@@H]1CCCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)C1 ZINC000418404553 536357754 /nfs/dbraw/zinc/35/77/54/536357754.db2.gz ABYQGWGJYXKYPF-ZIAGYGMSSA-N 2 0 276.384 1.080 10 0 CDAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262660413 536445453 /nfs/dbraw/zinc/44/54/53/536445453.db2.gz NLZFVKZGOZCWLY-JJXSEGSLSA-N 2 0 293.455 1.707 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCCO[C@H]1C(C)C ZINC000422920283 536850745 /nfs/dbraw/zinc/85/07/45/536850745.db2.gz MEJAEVHHRRTCAD-KKUMJFAQSA-N 2 0 272.433 1.781 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@]1(CO)C[C@@H]1c1ccccc1 ZINC000423131174 536850896 /nfs/dbraw/zinc/85/08/96/536850896.db2.gz ZMNIMKCWFNPCDJ-GVDBMIGSSA-N 2 0 292.423 1.496 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](C)N1CCc2ccccc21 ZINC000422711039 536850942 /nfs/dbraw/zinc/85/09/42/536850942.db2.gz GOLPBYOJRLMUGC-ZBFHGGJFSA-N 2 0 291.439 1.781 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCc1ccc(C)c(OC)c1 ZINC000422783952 536850998 /nfs/dbraw/zinc/85/09/98/536850998.db2.gz NMKPGCCRUSZCJP-HNNXBMFYSA-N 2 0 280.412 1.890 10 0 CDAERP [NH3+][C@H]1CCC[C@H]1[NH2+][C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000650751884 574439270 /nfs/dbraw/zinc/43/92/70/574439270.db2.gz DMSLSYSMSCZFBE-BARDWOONSA-N 2 0 261.369 1.771 10 0 CDAERP C[NH+](C)CCCCNC(=O)CCCC[NH+]1CCCC1 ZINC000729921613 574828695 /nfs/dbraw/zinc/82/86/95/574828695.db2.gz LBNDTQQSDMIQBL-UHFFFAOYSA-N 2 0 269.433 1.711 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=S)NC2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000741483281 575055712 /nfs/dbraw/zinc/05/57/12/575055712.db2.gz CUCMLQJSTAYWQA-TZMCWYRMSA-N 2 0 298.500 1.370 10 0 CDAERP CC[N@@H+]1CC[C@@H](CNC(=S)NCC2CC[NH+](C)CC2)C1 ZINC000760467659 576486225 /nfs/dbraw/zinc/48/62/25/576486225.db2.gz JFKSDJBVJFJVRC-AWEZNQCLSA-N 2 0 298.500 1.134 10 0 CDAERP COC(=O)/C(C)=C/CN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000748825938 576928021 /nfs/dbraw/zinc/92/80/21/576928021.db2.gz ZVTJMTMAVPKQDG-NNSJBKGDSA-N 2 0 280.412 1.769 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](C)CCCF ZINC001689890683 1175297716 /nfs/dbraw/zinc/29/77/16/1175297716.db2.gz BTKNPWDYDACACQ-AWEZNQCLSA-N 2 0 287.423 1.659 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]CCCO ZINC001689910137 1175302127 /nfs/dbraw/zinc/30/21/27/1175302127.db2.gz ZASZZSUAKPMUPH-CABCVRRESA-N 2 0 299.459 1.070 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CC2CC2)C1 ZINC001690051633 1175358970 /nfs/dbraw/zinc/35/89/70/1175358970.db2.gz JZERXXKLUDNQGY-AWEZNQCLSA-N 2 0 267.417 1.317 10 0 CDAERP CCc1nncn1CC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925516824 617426754 /nfs/dbraw/zinc/42/67/54/617426754.db2.gz SWEZDMANQSTTGX-GJZGRUSLSA-N 2 0 291.443 1.598 10 0 CDAERP CC[NH+]1CCC(N[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925517730 617427400 /nfs/dbraw/zinc/42/74/00/617427400.db2.gz YNOCERGPMWKLLB-OCCSQVGLSA-N 2 0 253.434 1.966 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]CCc2cn3c(n2)CCCC3)C12CCC2 ZINC000925536510 617470318 /nfs/dbraw/zinc/47/03/18/617470318.db2.gz FIAWNSIQNZNVRB-KGLIPLIRSA-N 2 0 274.412 1.621 10 0 CDAERP COC1(OC)CC[C@H]1[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000926449325 617806207 /nfs/dbraw/zinc/80/62/07/617806207.db2.gz UTKCKJLPIGWGDZ-GFCCVEGCSA-N 2 0 288.457 1.555 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000925726413 617961740 /nfs/dbraw/zinc/96/17/40/617961740.db2.gz SMHBOJANRVWYJE-RDUXKEIUSA-N 2 0 262.397 1.515 10 0 CDAERP CC1(C)[C@@H]([NH2+]CC2(CO)CCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925648180 617591055 /nfs/dbraw/zinc/59/10/55/617591055.db2.gz QBOIOIWLFKMDOW-AGIUHOORSA-N 2 0 252.402 1.515 10 0 CDAERP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)C(=O)N1CCCC1 ZINC000925654447 617596696 /nfs/dbraw/zinc/59/66/96/617596696.db2.gz MNDZOXWWOZJJSX-XQQFMLRXSA-N 2 0 267.417 1.493 10 0 CDAERP CC1(C)C[C@@H]([NH2+][C@H]2CC(=O)N(CC3CC3)C2)C[C@@H]([NH3+])C1 ZINC000925769860 617628483 /nfs/dbraw/zinc/62/84/83/617628483.db2.gz GHDSEUDQTCQESL-RDBSUJKOSA-N 2 0 279.428 1.493 10 0 CDAERP CC(C)NC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925689736 617688943 /nfs/dbraw/zinc/68/89/43/617688943.db2.gz JLPCALUCCQJARE-QJPTWQEYSA-N 2 0 255.406 1.395 10 0 CDAERP CC1(C)C[C@@H]([NH2+][C@@H]2C[C@H]3CCCCN3C2=O)C[C@@H]([NH3+])C1 ZINC000925693901 617707591 /nfs/dbraw/zinc/70/75/91/617707591.db2.gz NFCDZXKXHZODPA-XJFOESAGSA-N 2 0 279.428 1.635 10 0 CDAERP [NH3+][C@@H](CN[C@H]1CC[NH2+]C12CCCC2)c1ccccc1 ZINC000925695276 617718235 /nfs/dbraw/zinc/71/82/35/617718235.db2.gz VMFMZDOBWLEPSJ-GJZGRUSLSA-N 2 0 259.397 1.951 10 0 CDAERP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCO[C@H]1CCOC1 ZINC000931765036 617720087 /nfs/dbraw/zinc/72/00/87/617720087.db2.gz UZYDPIOHQZLNHU-HOCLYGCPSA-N 2 0 291.395 1.398 10 0 CDAERP C[C@@H]1C[C@@H](N[C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC[NH2+]1 ZINC000925701234 617750280 /nfs/dbraw/zinc/75/02/80/617750280.db2.gz WAPISIRXTPHAAU-BJJPWKGXSA-N 2 0 251.418 1.493 10 0 CDAERP CC1(C)C[C@@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@@H]([NH3+])C1 ZINC000925704046 617772727 /nfs/dbraw/zinc/77/27/27/617772727.db2.gz FYFHLFZSGLTSED-RYPNDVFKSA-N 3 0 265.445 1.870 10 0 CDAERP CC1(C)[C@H]([NH2+]CCCCCC[NH3+])[C@@H]2CCC[NH2+][C@@H]21 ZINC000925706312 617791503 /nfs/dbraw/zinc/79/15/03/617791503.db2.gz CENJLBDPCYZBKU-MJBXVCDLSA-N 3 0 253.434 1.872 10 0 CDAERP CCn1nncc1C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925720710 617844569 /nfs/dbraw/zinc/84/45/69/617844569.db2.gz HSUWLUPXQZXPNX-QWRGUYRKSA-N 2 0 251.378 1.294 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1CCCN1CC(F)(F)F ZINC000925835150 617864425 /nfs/dbraw/zinc/86/44/25/617864425.db2.gz MVQCAIMBVLIHHO-VXGBXAGGSA-N 2 0 297.365 1.357 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@@]1(C(F)(F)F)CCCN1 ZINC000925856484 617895616 /nfs/dbraw/zinc/89/56/16/617895616.db2.gz QZSGYYOWKSAFAA-NNYUYHANSA-N 2 0 295.349 1.013 10 0 CDAERP CN(CC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)CC(F)F ZINC000925726155 617956950 /nfs/dbraw/zinc/95/69/50/617956950.db2.gz ZTAAIMVKXRTMSN-UONOGXRCSA-N 2 0 289.414 1.941 10 0 CDAERP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccnn1C ZINC000925729080 617998150 /nfs/dbraw/zinc/99/81/50/617998150.db2.gz OWKACEYLFDDMKV-SDDRHHMPSA-N 2 0 250.390 1.977 10 0 CDAERP C[C@@H](N[C@H]1C[C@H]([NH3+])C[C@@H]1O)c1ccc(C(F)(F)F)nc1 ZINC000923427669 618335321 /nfs/dbraw/zinc/33/53/21/618335321.db2.gz USKZYHDBUCMTAA-PXIYARARSA-N 2 0 289.301 1.602 10 0 CDAERP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H]2CC3CCC2CC3)C1 ZINC000924963064 618452148 /nfs/dbraw/zinc/45/21/48/618452148.db2.gz DGMUROJBAWHNLB-FJBKBRRZSA-N 2 0 293.455 1.742 10 0 CDAERP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccnnc1 ZINC000925042465 618827349 /nfs/dbraw/zinc/82/73/49/618827349.db2.gz VAZALKMRHYAYRV-HIFRSBDPSA-N 2 0 289.427 1.296 10 0 CDAERP CC[C@@H](C[C@](C)(O)CC)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000925111343 619321565 /nfs/dbraw/zinc/32/15/65/619321565.db2.gz CCPPBIYMBBCYBN-UONOGXRCSA-N 2 0 272.433 1.362 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000896112354 619987800 /nfs/dbraw/zinc/98/78/00/619987800.db2.gz WCQIHWIXYVIBRD-OLZOCXBDSA-N 2 0 267.417 1.412 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CO[C@@H](C)[C@@H]2C)CC1 ZINC000924670916 621648154 /nfs/dbraw/zinc/64/81/54/621648154.db2.gz ODBLRAUVRDBDSD-CBBWQLFWSA-N 2 0 269.433 1.025 10 0 CDAERP CC(C)[C@H](CNC(=[NH2+])N[C@@H](C)C1CC1)N1CC[NH+](C)CC1 ZINC000899266917 622127310 /nfs/dbraw/zinc/12/73/10/622127310.db2.gz ZAWCDTAGTKNLPB-ZFWWWQNUSA-N 2 0 295.475 1.171 10 0 CDAERP c1c(C2CC[NH2+]CC2)nnn1C[C@H]1CCCC[NH2+]C1 ZINC000899740569 622399241 /nfs/dbraw/zinc/39/92/41/622399241.db2.gz IEFRBIRNZOZDHA-LBPRGKRZSA-N 2 0 263.389 1.135 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900696286 623355025 /nfs/dbraw/zinc/35/50/25/623355025.db2.gz YPMCRPUDCYPOHJ-MGPQQGTHSA-N 2 0 267.417 1.460 10 0 CDAERP CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903432410 625990473 /nfs/dbraw/zinc/99/04/73/625990473.db2.gz AWLVOTIRQRMMSS-RDBSUJKOSA-N 2 0 267.417 1.175 10 0 CDAERP C[N@H+](C[C@H](O)COCc1ccccc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903432635 625990522 /nfs/dbraw/zinc/99/05/22/625990522.db2.gz HTYFCLVNFCDKNQ-IKGGRYGDSA-N 2 0 292.423 1.623 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC(N3CCCC3=O)CC2)C1 ZINC000903434554 625991291 /nfs/dbraw/zinc/99/12/91/625991291.db2.gz HYFOKLCWJMMXCR-QWHCGFSZSA-N 2 0 265.401 1.201 10 0 CDAERP C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000903439743 625992735 /nfs/dbraw/zinc/99/27/35/625992735.db2.gz NNTABDKCPNHPNV-XJFOESAGSA-N 2 0 288.457 1.401 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCCC12CCOCC2 ZINC000903459153 625994607 /nfs/dbraw/zinc/99/46/07/625994607.db2.gz QWKNRPWJVSOWFC-RDBSUJKOSA-N 2 0 252.402 1.781 10 0 CDAERP CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903458548 625994609 /nfs/dbraw/zinc/99/46/09/625994609.db2.gz CWLGGQCDYABVMC-XGUBFFRZSA-N 2 0 297.443 1.960 10 0 CDAERP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CCOC2CC2)C1 ZINC000903461280 625996084 /nfs/dbraw/zinc/99/60/84/625996084.db2.gz RSLJIXUCJICDCK-SNPRPXQTSA-N 2 0 268.401 1.526 10 0 CDAERP CCC[NH+]1CCC([N@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903442489 625997245 /nfs/dbraw/zinc/99/72/45/625997245.db2.gz SLWAVJCVMUDUBO-KGLIPLIRSA-N 3 0 253.434 1.920 10 0 CDAERP C[C@H](N1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1)C(F)(F)F ZINC000903445144 625998620 /nfs/dbraw/zinc/99/86/20/625998620.db2.gz HMIREVILNKYBSB-TUAOUCFPSA-N 2 0 279.350 1.682 10 0 CDAERP COC[C@@H](C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)C(C)C ZINC000903453961 626001580 /nfs/dbraw/zinc/00/15/80/626001580.db2.gz QGKKBZKSOHKYTB-CABCVRRESA-N 2 0 254.418 1.981 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)C1 ZINC000903457233 626002816 /nfs/dbraw/zinc/00/28/16/626002816.db2.gz ORFNDYQKUOLHSI-REWJHTLYSA-N 2 0 265.401 1.104 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CCN(c2cccc(F)c2)CC1 ZINC000903475938 626005041 /nfs/dbraw/zinc/00/50/41/626005041.db2.gz IHGHADCAXKEKAU-KGLIPLIRSA-N 2 0 277.387 1.803 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCCCCCNC(=O)CC2)C1 ZINC000903477238 626005212 /nfs/dbraw/zinc/00/52/12/626005212.db2.gz VZWLJOZMZZSXIR-UONOGXRCSA-N 2 0 267.417 1.496 10 0 CDAERP CC(C)([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)C(=O)N1CCCC1 ZINC000903481853 626006409 /nfs/dbraw/zinc/00/64/09/626006409.db2.gz OIUDFYZQFWZZSM-NEPJUHHUSA-N 2 0 253.390 1.104 10 0 CDAERP CCCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903499239 626009063 /nfs/dbraw/zinc/00/90/63/626009063.db2.gz KZGOLCGKVGJCCA-CHWSQXEVSA-N 2 0 255.406 1.210 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)N2CCc3ccccc32)C[C@H]1CC[NH3+] ZINC000903494769 626011319 /nfs/dbraw/zinc/01/13/19/626011319.db2.gz OBJDHBQFLYEXPW-UKRRQHHQSA-N 2 0 287.407 1.492 10 0 CDAERP CC(C)CCOCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496952 626012133 /nfs/dbraw/zinc/01/21/33/626012133.db2.gz KWDHEVQXLIUFME-HUUCEWRRSA-N 2 0 299.459 1.082 10 0 CDAERP Cn1c2ccccc2nc1CCN1C[C@H]([NH3+])C(C)(C)C1 ZINC000903558800 626025511 /nfs/dbraw/zinc/02/55/11/626025511.db2.gz PSBVUXFNBHZYJX-AWEZNQCLSA-N 2 0 272.396 1.785 10 0 CDAERP C(C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)OC1CCSCC1 ZINC000903752039 626073302 /nfs/dbraw/zinc/07/33/02/626073302.db2.gz PDFQBMGGWGIUIE-OAHLLOKOSA-N 2 0 284.469 1.974 10 0 CDAERP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1CCCSC[C@H]1C1CC1 ZINC000903827488 626105356 /nfs/dbraw/zinc/10/53/56/626105356.db2.gz ULCBRVSTXXIYKP-KBPBESRZSA-N 2 0 282.453 1.582 10 0 CDAERP Cc1c(C[C@H](C[NH3+])CN2CCCC[C@H]2[C@@H](C)[NH3+])cnn1C ZINC000903874326 626128615 /nfs/dbraw/zinc/12/86/15/626128615.db2.gz YAVFFDUOUPFXEC-XPKDYRNWSA-N 2 0 293.459 1.048 10 0 CDAERP CCC[C@H](C)[N@H+](C)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903885880 626133427 /nfs/dbraw/zinc/13/34/27/626133427.db2.gz OGPJFOPPOQVPJJ-JSGCOSHPSA-N 2 0 266.433 1.966 10 0 CDAERP COCC1CC[NH+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903892601 626134766 /nfs/dbraw/zinc/13/47/66/626134766.db2.gz VGFJAIJGRMLYBC-OAHLLOKOSA-N 2 0 294.443 1.204 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[NH2+]C(C)(C)C(C)C)cnn1C ZINC000903897498 626137046 /nfs/dbraw/zinc/13/70/46/626137046.db2.gz DZGKCGCDRGRCGL-CYBMUJFWSA-N 2 0 266.433 1.870 10 0 CDAERP C[C@H]([N@H+](C)Cc1cnnn1[C@H]1CCC[NH2+]C1)C1(C)CC1 ZINC000903898899 626137583 /nfs/dbraw/zinc/13/75/83/626137583.db2.gz PBIFYOZDFXPYES-STQMWFEESA-N 2 0 277.416 1.823 10 0 CDAERP O[C@H](C[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccsc1 ZINC000903921857 626147698 /nfs/dbraw/zinc/14/76/98/626147698.db2.gz RLJMSYOAFDQSFJ-ZHDCTAKOSA-N 2 0 266.410 1.902 10 0 CDAERP CCN1CCCC[C@@H]1C[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903923243 626148404 /nfs/dbraw/zinc/14/84/04/626148404.db2.gz OSDCDZGBGOFLKG-WTXIUTQJSA-N 2 0 265.445 1.981 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])CN2CCCCC[C@H]([NH3+])C2)cnn1C ZINC000903935965 626153841 /nfs/dbraw/zinc/15/38/41/626153841.db2.gz WSSXYMWTUOQOSK-HOCLYGCPSA-N 2 0 293.459 1.049 10 0 CDAERP COC1(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)CCCC1 ZINC000903957410 626158238 /nfs/dbraw/zinc/15/82/38/626158238.db2.gz QMVMEGUTWZCYSE-LLVKDONJSA-N 2 0 262.344 1.780 10 0 CDAERP COC(=O)c1cc(CNC[C@@H]2C[NH2+]CCC2(F)F)c[nH]1 ZINC000903955093 626166494 /nfs/dbraw/zinc/16/64/94/626166494.db2.gz KQJAKIRVDQEERQ-JTQLQIEISA-N 2 0 287.310 1.136 10 0 CDAERP CC(=O)Nc1ccccc1C[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903973348 626168678 /nfs/dbraw/zinc/16/86/78/626168678.db2.gz AEFQBPYZIBBBFO-TZMCWYRMSA-N 2 0 275.396 1.980 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1ccc2c(c1)nnn2C ZINC000903974831 626169168 /nfs/dbraw/zinc/16/91/68/626169168.db2.gz UBJOURZVRQEAKG-DGCLKSJQSA-N 2 0 273.384 1.304 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ccsc1)C2 ZINC000903978265 626169928 /nfs/dbraw/zinc/16/99/28/626169928.db2.gz CMZRNDKFPAHQOR-SCRDCRAPSA-N 2 0 280.393 1.460 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000903979072 626170285 /nfs/dbraw/zinc/17/02/85/626170285.db2.gz UVQJBFHAFFAEFT-IBEHDNSVSA-N 3 0 265.445 1.742 10 0 CDAERP Cc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cnc1Cl ZINC000903964309 626171497 /nfs/dbraw/zinc/17/14/97/626171497.db2.gz JAQUPYGWHMMRKI-PWSUYJOCSA-N 2 0 253.777 1.989 10 0 CDAERP C[C@@H]1C[C@H](CN2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CC[NH2+]1 ZINC000903982914 626172155 /nfs/dbraw/zinc/17/21/55/626172155.db2.gz ZMWYFLXELPDDHN-GWOFURMSSA-N 2 0 265.323 1.196 10 0 CDAERP c1nc(C2CCC2)sc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000904397846 626287380 /nfs/dbraw/zinc/28/73/80/626287380.db2.gz IENTYGTTYSWVJU-UHFFFAOYSA-N 2 0 280.441 1.405 10 0 CDAERP [NH2+]=C(NCC[NH+]1CCCCC1)NC[C@H]1CCCS1 ZINC000905042217 626381362 /nfs/dbraw/zinc/38/13/62/626381362.db2.gz OGPQMJYCYYQLHC-GFCCVEGCSA-N 2 0 270.446 1.482 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000905289652 626741910 /nfs/dbraw/zinc/74/19/10/626741910.db2.gz VQGJIBLXFSUFNE-OCCSQVGLSA-N 2 0 290.411 1.725 10 0 CDAERP C(c1noc(CC2CC[NH2+]CC2)n1)C1CC[NH2+]CC1 ZINC000905317655 626746071 /nfs/dbraw/zinc/74/60/71/626746071.db2.gz KHLZYSUKUBGRLJ-UHFFFAOYSA-N 2 0 264.373 1.154 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000907520369 627712611 /nfs/dbraw/zinc/71/26/11/627712611.db2.gz ZKLGWZHHKDKMOI-KBUPBQIOSA-N 2 0 279.428 1.602 10 0 CDAERP C[N@@H+]1CCC[C@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000908423086 628191769 /nfs/dbraw/zinc/19/17/69/628191769.db2.gz KJVNYAJILGDJCV-HNNXBMFYSA-N 2 0 277.412 1.027 10 0 CDAERP CN(CC[NH+]1CCCCC1)C(=O)C12CC[NH+](CC1)C2 ZINC000911919925 629629370 /nfs/dbraw/zinc/62/93/70/629629370.db2.gz GAYJZZPIWYNNTE-UHFFFAOYSA-N 2 0 265.401 1.027 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(CC)[C@H]2CC[NH+](C)C2)C1 ZINC000912307981 629918566 /nfs/dbraw/zinc/91/85/66/629918566.db2.gz VANNUSUETZKXFE-CABCVRRESA-N 2 0 281.444 1.661 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H]([NH+]3CCC3)C2)C1 ZINC000912900614 630269558 /nfs/dbraw/zinc/26/95/58/630269558.db2.gz OPQHCZIPJILJIY-LSDHHAIUSA-N 2 0 279.428 1.415 10 0 CDAERP CC(C)[C@@H](C(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1)[NH+](C)C ZINC000913281726 630432438 /nfs/dbraw/zinc/43/24/38/630432438.db2.gz BYABBJGDKYOHON-NUEKZKHPSA-N 2 0 281.444 1.373 10 0 CDAERP C([C@@H]1CC[N@H+](C[C@@H]2C[C@H]3COC[C@H]3O2)C1)[NH+]1CCCC1 ZINC000929695171 630708111 /nfs/dbraw/zinc/70/81/11/630708111.db2.gz GCDGXTREPXHJNG-YHUYYLMFSA-N 2 0 280.412 1.208 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000913881165 630863001 /nfs/dbraw/zinc/86/30/01/630863001.db2.gz NUZRJPNPHXVULN-OCCSQVGLSA-N 2 0 282.432 1.251 10 0 CDAERP C[C@@H]1[C@H](NC(=O)NCC[NH+]2CCC(C)CC2)CC[N@@H+]1C ZINC000914075040 631009491 /nfs/dbraw/zinc/00/94/91/631009491.db2.gz QGBOQYJRXHXJNZ-ZIAGYGMSSA-N 2 0 282.432 1.110 10 0 CDAERP CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CC[NH+](C)[C@H]2C)C1 ZINC000916835902 632087762 /nfs/dbraw/zinc/08/77/62/632087762.db2.gz GAYISGKGQSQHQJ-MJBXVCDLSA-N 2 0 282.432 1.110 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001690968135 1158506378 /nfs/dbraw/zinc/50/63/78/1158506378.db2.gz OAMULFURPSBDGO-UHFFFAOYSA-N 2 0 269.433 1.709 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001690329568 1175439796 /nfs/dbraw/zinc/43/97/96/1175439796.db2.gz SQYYAMAIUCIJON-MQYQWHSLSA-N 2 0 267.417 1.364 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001649462565 1158591598 /nfs/dbraw/zinc/59/15/98/1158591598.db2.gz AERCGYWHDFMWOE-ZDUSSCGKSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)[N@H+](CCO)CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001732015528 1159689649 /nfs/dbraw/zinc/68/96/49/1159689649.db2.gz AELCAONSKREEJN-HUUCEWRRSA-N 2 0 299.459 1.068 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCCO)C[C@H]1C ZINC001671255819 1159712026 /nfs/dbraw/zinc/71/20/26/1159712026.db2.gz AAAJCCGWIVYFFK-HUUCEWRRSA-N 2 0 299.459 1.070 10 0 CDAERP CC(C)C[N@H+](C)CCOCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001691593430 1160712137 /nfs/dbraw/zinc/71/21/37/1160712137.db2.gz BPKXSQYXVKEIKG-HNNXBMFYSA-N 2 0 299.459 1.143 10 0 CDAERP CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CC2)C1 ZINC001649115050 1161388475 /nfs/dbraw/zinc/38/84/75/1161388475.db2.gz MHTCICFVCSDZHQ-KBPBESRZSA-N 2 0 265.401 1.166 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000810188536 1163178967 /nfs/dbraw/zinc/17/89/67/1163178967.db2.gz LWYQJFSHENCUJE-WFASDCNBSA-N 2 0 285.407 1.409 10 0 CDAERP O=C(CC[NH2+]CC1CC1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000870853362 1165223634 /nfs/dbraw/zinc/22/36/34/1165223634.db2.gz ZADHPASKXJJBFC-CABCVRRESA-N 2 0 279.428 1.367 10 0 CDAERP C[C@@H](CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)[N@@H+]1CCCC[C@H]1C ZINC000872274912 1165407716 /nfs/dbraw/zinc/40/77/16/1165407716.db2.gz DWHQPXVWUMSTPV-AQRJEWBLSA-N 2 0 279.428 1.493 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@@H](C)CC[NH+](C)C)CC1 ZINC001624380297 1165835421 /nfs/dbraw/zinc/83/54/21/1165835421.db2.gz GWZVGRXFMASHJK-ZDUSSCGKSA-N 2 0 269.433 1.565 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NC[C@H]2CC[N@H+](C)C2)C1 ZINC001625287999 1165896830 /nfs/dbraw/zinc/89/68/30/1165896830.db2.gz LCOAXUSCOWNGKA-MCIONIFRSA-N 2 0 267.417 1.175 10 0 CDAERP C[C@H](CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)[NH+](C)C ZINC001632580834 1166359988 /nfs/dbraw/zinc/35/99/88/1166359988.db2.gz IOFQBGMKFBDWIG-MCIONIFRSA-N 2 0 269.433 1.563 10 0 CDAERP C[C@@H]1[C@H](C(=O)NCCCCc2cc[nH+]c(N)c2)CC[N@@H+]1C ZINC001637967841 1166808865 /nfs/dbraw/zinc/80/88/65/1166808865.db2.gz ODNSXHMIEFNCEZ-TZMCWYRMSA-N 2 0 290.411 1.443 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001506893354 1167777656 /nfs/dbraw/zinc/77/76/56/1167777656.db2.gz AEYZVEYZAFUYLX-RBSFLKMASA-N 2 0 281.444 1.611 10 0 CDAERP CC[NH+](CC)CC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001647017516 1168350819 /nfs/dbraw/zinc/35/08/19/1168350819.db2.gz XJJRULVBUNDCTA-ZIAGYGMSSA-N 2 0 271.449 1.809 10 0 CDAERP [NH3+][C@H]1CCCC[C@H]1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC001647244039 1168484537 /nfs/dbraw/zinc/48/45/37/1168484537.db2.gz OTMDTTVWLBRWDT-CABCVRRESA-N 2 0 279.428 1.495 10 0 CDAERP C[C@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CCCF ZINC001567230335 1168632082 /nfs/dbraw/zinc/63/20/82/1168632082.db2.gz FQIMOJMNXUPWAK-QWHCGFSZSA-N 2 0 273.396 1.172 10 0 CDAERP C[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)CC1=CCCCC1 ZINC001567314255 1168675857 /nfs/dbraw/zinc/67/58/57/1168675857.db2.gz VAPOTFKFIALLBY-MRXNPFEDSA-N 2 0 293.455 1.877 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)COC1CC[NH+](C)CC1 ZINC001647446043 1168701465 /nfs/dbraw/zinc/70/14/65/1168701465.db2.gz GZBSNMYZVLERFU-CQSZACIVSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)C[NH2+]C/C=C\CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001568865496 1169525615 /nfs/dbraw/zinc/52/56/15/1169525615.db2.gz FFPYURPGCFNUAU-FOSCPCJNSA-N 2 0 281.444 1.779 10 0 CDAERP CC(C)C[NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001568899003 1169538365 /nfs/dbraw/zinc/53/83/65/1169538365.db2.gz RRQGGISDNZGJRH-AATRIKPKSA-N 2 0 281.444 1.779 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CCC[NH2+]CC1CC1 ZINC001569268643 1169741955 /nfs/dbraw/zinc/74/19/55/1169741955.db2.gz HSNCPDPCBGPURL-OKILXGFUSA-N 2 0 281.444 1.707 10 0 CDAERP CCC[NH2+]CC[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001569988755 1170054046 /nfs/dbraw/zinc/05/40/46/1170054046.db2.gz VCCUAILJRVPPND-OAHLLOKOSA-N 2 0 293.455 1.853 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](CC[NH2+]CC3CCC3)C2)C1 ZINC001570019829 1170060536 /nfs/dbraw/zinc/06/05/36/1170060536.db2.gz WHXLABQCUMFPQD-HOTGVXAUSA-N 2 0 293.455 1.566 10 0 CDAERP CC[NH+]1CCC2(CN(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001570056576 1170066196 /nfs/dbraw/zinc/06/61/96/1170066196.db2.gz UDDXFQBFJADZDH-UHFFFAOYSA-N 2 0 281.444 1.663 10 0 CDAERP CCC[N@H+](C)[C@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001570715482 1170249590 /nfs/dbraw/zinc/24/95/90/1170249590.db2.gz DUFHEMQHYMUIIW-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C1C[NH+](C(C)C)C1)[NH+](C)C ZINC001570845049 1170298044 /nfs/dbraw/zinc/29/80/44/1170298044.db2.gz BJBKRSUIBBZOGH-DGCLKSJQSA-N 2 0 255.406 1.172 10 0 CDAERP CCCC[NH2+][C@H](C)CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001571418228 1170420873 /nfs/dbraw/zinc/42/08/73/1170420873.db2.gz SMCYCUZRRMMHLI-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)C1CC1 ZINC001660696486 1172259973 /nfs/dbraw/zinc/25/99/73/1172259973.db2.gz RSNFEFQZJIDJDF-HNNXBMFYSA-N 2 0 281.444 1.850 10 0 CDAERP C[C@@H](CCNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CCCF ZINC001662935126 1172618273 /nfs/dbraw/zinc/61/82/73/1172618273.db2.gz OWZZEDOQEIBVTQ-AWEZNQCLSA-N 2 0 299.434 1.706 10 0 CDAERP CC(C)=CC[N@H+](C)CCNC(=O)C[NH+](C)C1CCC1 ZINC001663197484 1172653611 /nfs/dbraw/zinc/65/36/11/1172653611.db2.gz SWXNFRLLXLRICJ-UHFFFAOYSA-N 2 0 267.417 1.485 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC001584968306 1172868523 /nfs/dbraw/zinc/86/85/23/1172868523.db2.gz RGMHMJNNWLQHMI-TZMCWYRMSA-N 2 0 267.417 1.127 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@@H]1CC[C@@H]2C[C@H](C)C[N@@H+]2C1 ZINC001586897259 1172964262 /nfs/dbraw/zinc/96/42/62/1172964262.db2.gz AIGWEHJDBYAQGB-ARFHVFGLSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001666525262 1173145004 /nfs/dbraw/zinc/14/50/04/1173145004.db2.gz CMRUEGZWSLHRET-KBPBESRZSA-N 2 0 267.417 1.389 10 0 CDAERP COCC[NH2+]C[C@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001666629449 1173164096 /nfs/dbraw/zinc/16/40/96/1173164096.db2.gz IFFDTSAQQKXHAF-GJZGRUSLSA-N 2 0 299.459 1.239 10 0 CDAERP CC(C)[NH2+]C/C=C/CNC(=O)C12CCC[NH+]1CCC2 ZINC001668912900 1173479076 /nfs/dbraw/zinc/47/90/76/1173479076.db2.gz WDKFKTGKHVULGQ-ONEGZZNKSA-N 2 0 265.401 1.285 10 0 CDAERP CC[C@@H](F)C[NH2+]CC[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001672909983 1173808895 /nfs/dbraw/zinc/80/88/95/1173808895.db2.gz JRQGCYRPJOHABF-LSDHHAIUSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)=CC[NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001690176414 1175395277 /nfs/dbraw/zinc/39/52/77/1175395277.db2.gz QUJFTAXBAYVJNC-OAHLLOKOSA-N 2 0 291.439 1.533 10 0 CDAERP CC/C=C\CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001690356302 1175447024 /nfs/dbraw/zinc/44/70/24/1175447024.db2.gz CWOHBGUJKHAVHC-HDBOXQQCSA-N 2 0 293.455 1.921 10 0 CDAERP CCC[NH2+]C[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001690477193 1175479713 /nfs/dbraw/zinc/47/97/13/1175479713.db2.gz CSFWNSOSCOMXNC-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CCF ZINC001690901260 1175605698 /nfs/dbraw/zinc/60/56/98/1175605698.db2.gz FSDKFWBENXVHJM-HUUCEWRRSA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001691810317 1175629815 /nfs/dbraw/zinc/62/98/15/1175629815.db2.gz CITCTBRILVGOMC-HDJSIYSDSA-N 2 0 267.417 1.389 10 0 CDAERP COCCCC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001698574350 1175851778 /nfs/dbraw/zinc/85/17/78/1175851778.db2.gz FEUFSXYYOAZBKR-HNNXBMFYSA-N 2 0 299.459 1.286 10 0 CDAERP CC(C)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001698667658 1175892022 /nfs/dbraw/zinc/89/20/22/1175892022.db2.gz IXPVWULPKFZXNX-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001698922796 1175985338 /nfs/dbraw/zinc/98/53/38/1175985338.db2.gz IDDZELAAJLUSNA-UONOGXRCSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)[C@H](C(=O)NCC1([NH2+]CCCF)CC1)[NH+]1CCCC1 ZINC001699676859 1176566062 /nfs/dbraw/zinc/56/60/62/1176566062.db2.gz WZCCLAMJRXEFAS-CQSZACIVSA-N 2 0 299.434 1.705 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]CCCF)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001699740923 1176599192 /nfs/dbraw/zinc/59/91/92/1176599192.db2.gz SJALRFHDJLJVFX-KBPBESRZSA-N 2 0 297.418 1.411 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001699763012 1176612129 /nfs/dbraw/zinc/61/21/29/1176612129.db2.gz UIXQORRXAPHBPX-AWEZNQCLSA-N 2 0 269.433 1.707 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@@H](C[NH2+]CCF)C2CCCC2)CC1 ZINC001699796747 1176624436 /nfs/dbraw/zinc/62/44/36/1176624436.db2.gz OVMFJSTXUXCDRI-AWEZNQCLSA-N 2 0 299.434 1.562 10 0 CDAERP CCC[NH2+]CC[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001700085022 1176743440 /nfs/dbraw/zinc/74/34/40/1176743440.db2.gz WADMDROLKVOBHX-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001700845597 1177163488 /nfs/dbraw/zinc/16/34/88/1177163488.db2.gz KBPMHQXROKHSPX-KBPBESRZSA-N 2 0 281.444 1.850 10 0 CDAERP CC[C@@H](F)C[N@H+]1CC=C(CNC(=O)CC[NH+](C)CC)CC1 ZINC001701059530 1177261606 /nfs/dbraw/zinc/26/16/06/1177261606.db2.gz FERJBKNCADBUFZ-OAHLLOKOSA-N 2 0 299.434 1.825 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]CCCO ZINC001707435020 1178039783 /nfs/dbraw/zinc/03/97/83/1178039783.db2.gz MVFVQBVYECCBMM-LSDHHAIUSA-N 2 0 299.459 1.068 10 0 CDAERP C[C@H](F)CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001713049120 1178328474 /nfs/dbraw/zinc/32/84/74/1178328474.db2.gz YEDDUXAHPNVRJW-UONOGXRCSA-N 2 0 299.434 1.657 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCF ZINC001713263231 1178458580 /nfs/dbraw/zinc/45/85/80/1178458580.db2.gz GCDHEIVIPVQSRP-ZIAGYGMSSA-N 2 0 285.407 1.411 10 0 CDAERP CC(C)CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001713300076 1178477079 /nfs/dbraw/zinc/47/70/79/1178477079.db2.gz GPZSNMOXXLAMFY-OLZOCXBDSA-N 2 0 255.406 1.221 10 0 CDAERP CCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001713310553 1178488539 /nfs/dbraw/zinc/48/85/39/1178488539.db2.gz WWYPWDCWYZHKBD-STQMWFEESA-N 2 0 255.406 1.364 10 0 CDAERP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+]C/C=C/Cl ZINC001713416229 1178548872 /nfs/dbraw/zinc/54/88/72/1178548872.db2.gz QVOCTPIYKDCLES-TZOMUSMUSA-N 2 0 261.797 1.175 10 0 CDAERP CCCC[NH2+][C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001714234431 1179036854 /nfs/dbraw/zinc/03/68/54/1179036854.db2.gz AVGHAWLSULJBPA-OCCSQVGLSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)[C@H](C(=O)NC[C@@H](C)C[NH2+]CCF)[NH+]1CCCC1 ZINC001714452289 1179146427 /nfs/dbraw/zinc/14/64/27/1179146427.db2.gz HTCAZRAGCUMAAO-UONOGXRCSA-N 2 0 287.423 1.418 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)CC[NH2+]Cc1ccccc1 ZINC001714787192 1179397893 /nfs/dbraw/zinc/39/78/93/1179397893.db2.gz SUIASUYCLJSOSD-UHFFFAOYSA-N 2 0 277.412 1.576 10 0 CDAERP C[C@H](C[NH2+]CCC(C)(C)C)N(C)C(=O)C[NH+]1CCCC1 ZINC001714859878 1179424557 /nfs/dbraw/zinc/42/45/57/1179424557.db2.gz AKCSXVVCFCHMJZ-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]CCF)C1CCCCC1 ZINC001714976621 1179487344 /nfs/dbraw/zinc/48/73/44/1179487344.db2.gz FDQFJTDQJPGKCH-AWEZNQCLSA-N 2 0 287.423 1.562 10 0 CDAERP C[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C[NH2+]CCF ZINC001715430033 1179665475 /nfs/dbraw/zinc/66/54/75/1179665475.db2.gz QOLBXPKFRAEVJX-KBPBESRZSA-N 2 0 297.418 1.268 10 0 CDAERP CCN(CC[NH2+]CC(C)C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001715739056 1179786464 /nfs/dbraw/zinc/78/64/64/1179786464.db2.gz PGBGUGBYWXZELS-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP O=C(NC/C=C/C[NH2+]CC1CCC1)C12CCC[NH+]1CCC2 ZINC001715846385 1179866544 /nfs/dbraw/zinc/86/65/44/1179866544.db2.gz XIPJREHKOYURHF-OWOJBTEDSA-N 2 0 291.439 1.677 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001715935137 1179926880 /nfs/dbraw/zinc/92/68/80/1179926880.db2.gz RHJRTGFDSDXWDI-CABCVRRESA-N 2 0 281.444 1.921 10 0 CDAERP CC(C)CCC[NH2+]C[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001716419446 1180196504 /nfs/dbraw/zinc/19/65/04/1180196504.db2.gz FBGBAVZSJZKRNC-CABCVRRESA-N 2 0 283.460 1.859 10 0 CDAERP CC[C@@H](C[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)OC ZINC001716542844 1180277641 /nfs/dbraw/zinc/27/76/41/1180277641.db2.gz VKWWGXKHWKVJPW-QLFBSQMISA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH2+]CCC2CC2)CC[N@@H+]1C ZINC001716542504 1180277793 /nfs/dbraw/zinc/27/77/93/1180277793.db2.gz HSGOLUGVOHYPGE-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](C(=O)N(C)CCC[NH2+]Cc1cscn1)[NH+](C)C ZINC001716550281 1180280798 /nfs/dbraw/zinc/28/07/98/1180280798.db2.gz YIYIXONPXULVHS-CYBMUJFWSA-N 2 0 298.456 1.421 10 0 CDAERP CC/C=C/CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001716628936 1180314375 /nfs/dbraw/zinc/31/43/75/1180314375.db2.gz PUEWGQTYKRXJME-SGFLJFKBSA-N 2 0 293.455 1.779 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@@H](C[NH2+]CCF)C1CC1)[NH+]1CCCC1 ZINC001716631862 1180316006 /nfs/dbraw/zinc/31/60/06/1180316006.db2.gz PPXFEUHZNSLBRR-GJZGRUSLSA-N 2 0 299.434 1.561 10 0 CDAERP CC(C)[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001716975125 1180488266 /nfs/dbraw/zinc/48/82/66/1180488266.db2.gz JBSZLWQJOBRQCN-ZIAGYGMSSA-N 2 0 269.433 1.562 10 0 CDAERP CCCCCC[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](CC)C[C@@H]2C1 ZINC001717013470 1180502476 /nfs/dbraw/zinc/50/24/76/1180502476.db2.gz IUIMWBHKAJUGQG-IYBDPMFKSA-N 2 0 295.471 1.909 10 0 CDAERP CC(C)(C(=O)NC1CC(C[NH2+]CCF)C1)[NH+]1CCCCC1 ZINC001717385737 1180641344 /nfs/dbraw/zinc/64/13/44/1180641344.db2.gz VGKPLTJOHQPKBG-UHFFFAOYSA-N 2 0 299.434 1.705 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000165866603 1181041822 /nfs/dbraw/zinc/04/18/22/1181041822.db2.gz AZXAMKMNIYLCOF-GJZGRUSLSA-N 2 0 281.444 1.742 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1CCCC[C@@H]1[NH3+])C(C)C ZINC000167202456 1181134733 /nfs/dbraw/zinc/13/47/33/1181134733.db2.gz CZXMFQWXOFMACT-STQMWFEESA-N 2 0 255.406 1.350 10 0 CDAERP CCC[NH2+]CCCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001723204609 1181525656 /nfs/dbraw/zinc/52/56/56/1181525656.db2.gz SUWYRIMRNPWSHW-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CCC[NH2+]CCF ZINC001723204963 1181526309 /nfs/dbraw/zinc/52/63/09/1181526309.db2.gz TZHPTMYAPSHZLO-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](NC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001723300917 1181535104 /nfs/dbraw/zinc/53/51/04/1181535104.db2.gz LENFEEXYSDPTDO-OAHLLOKOSA-N 2 0 293.455 1.921 10 0 CDAERP CCC[N@H+](C)CC(=O)NC1(C)CC[NH+](CCOCC)CC1 ZINC001724022963 1181629775 /nfs/dbraw/zinc/62/97/75/1181629775.db2.gz LYAQQEGBPNCWDY-UHFFFAOYSA-N 2 0 299.459 1.335 10 0 CDAERP O=C1Nc2ccccc2CC[C@@H]1N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261644853 1181795627 /nfs/dbraw/zinc/79/56/27/1181795627.db2.gz JBUARUINJYLGKT-DZKIICNBSA-N 2 0 285.391 1.481 10 0 CDAERP CC(C)=CC[NH+](C)[C@@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001725188040 1181913398 /nfs/dbraw/zinc/91/33/98/1181913398.db2.gz NNDHDWIEXJKMKJ-LSDHHAIUSA-N 2 0 281.444 1.731 10 0 CDAERP CCCC[NH2+][C@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001725513057 1182031706 /nfs/dbraw/zinc/03/17/06/1182031706.db2.gz FETWXNMIDJOZKM-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP COCC[NH2+][C@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001725523793 1182036689 /nfs/dbraw/zinc/03/66/89/1182036689.db2.gz NDNHCSHGNSAIII-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NCC2=CC[NH+](CCCF)CC2)C1 ZINC001725830239 1182145534 /nfs/dbraw/zinc/14/55/34/1182145534.db2.gz XERSQDRJEKSBIQ-OAHLLOKOSA-N 2 0 297.418 1.436 10 0 CDAERP C[N@H+](CCCNC(=O)Cc1c[nH]cn1)CC1CCCCC1 ZINC001731267441 1182283977 /nfs/dbraw/zinc/28/39/77/1182283977.db2.gz JDJXMBVBMCSZKS-UHFFFAOYSA-N 2 0 292.427 1.971 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C(C)C)C[C@@H](C)O ZINC001731307053 1182308829 /nfs/dbraw/zinc/30/88/29/1182308829.db2.gz RWMKHNVFPIFWID-HUUCEWRRSA-N 2 0 299.459 1.068 10 0 CDAERP CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)C1CC1 ZINC001731410408 1182370630 /nfs/dbraw/zinc/37/06/30/1182370630.db2.gz DXLSFVHYVWKLEX-KBPBESRZSA-N 2 0 267.417 1.365 10 0 CDAERP CN(CC[NH2+]CC1CCCC1)C(=O)C1([NH+](C)C)CCC1 ZINC001731918734 1182677982 /nfs/dbraw/zinc/67/79/82/1182677982.db2.gz XIQUZNWJGPZDNP-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP Cc1cc(C)cc(C[NH2+]CCN(C)C(=O)CC[NH+](C)C)c1 ZINC001731949458 1182694207 /nfs/dbraw/zinc/69/42/07/1182694207.db2.gz FIZPUOZKLOJQFM-UHFFFAOYSA-N 2 0 291.439 1.803 10 0 CDAERP CC[NH2+]C[C@@](C)(NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001732247843 1182881857 /nfs/dbraw/zinc/88/18/57/1182881857.db2.gz MTRUDFFWIHDFJB-IUODEOHRSA-N 2 0 267.417 1.223 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@H](CC[NH2+]CC2CC2)C1)[NH+](C)C ZINC001732271116 1182890216 /nfs/dbraw/zinc/89/02/16/1182890216.db2.gz DYGJGFBTBIHFNT-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](C[NH2+]CCCF)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001732422131 1182958588 /nfs/dbraw/zinc/95/85/88/1182958588.db2.gz FMSJFUUDQSNJDA-GFCCVEGCSA-N 2 0 273.396 1.267 10 0 CDAERP CCCC[NH2+][C@H](CNC(=O)C1CC[NH+](C)CC1)C(C)C ZINC001732568659 1183014845 /nfs/dbraw/zinc/01/48/45/1183014845.db2.gz ZMSDFVYKTJWGLU-OAHLLOKOSA-N 2 0 283.460 1.859 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]C/C=C\Cl ZINC001732859688 1183162365 /nfs/dbraw/zinc/16/23/65/1183162365.db2.gz QTMADAAYSXZVBZ-GBVBIRLMSA-N 2 0 299.846 1.875 10 0 CDAERP CC[C@@H](C)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001732889210 1183172589 /nfs/dbraw/zinc/17/25/89/1183172589.db2.gz MROQDVAYGPBRLS-WJNHHXLDSA-N 2 0 281.444 1.779 10 0 CDAERP CCCC[NH2+]C[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001733019892 1183241411 /nfs/dbraw/zinc/24/14/11/1183241411.db2.gz LHLPFXNKMLIFJY-QWHCGFSZSA-N 2 0 255.406 1.223 10 0 CDAERP CC[NH2+]C[C@]1(C)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001733442379 1183433551 /nfs/dbraw/zinc/43/35/51/1183433551.db2.gz WVYUTSRPTJMMHI-ZFWWWQNUSA-N 2 0 267.417 1.176 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@@H](CC[NH2+]CC2CC2)C1 ZINC001733675340 1183494126 /nfs/dbraw/zinc/49/41/26/1183494126.db2.gz ZYYGOLMCYVVKJQ-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP CC[C@H]1CCN(C(=[NH2+])NCCC[NH+](CC)CC)C1 ZINC000864452702 1164544664 /nfs/dbraw/zinc/54/46/64/1164544664.db2.gz RPVVUKXDWLDLIA-ZDUSSCGKSA-N 2 0 254.422 1.975 10 0 CDAERP CCS(=O)(=O)CCC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925693688 732092465 /nfs/dbraw/zinc/09/24/65/732092465.db2.gz UKFJJDWGJIMCMH-RYUDHWBXSA-N 2 0 276.446 1.307 10 0 CDAERP c1cc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c(C2CC2)c[nH+]1 ZINC000872432009 730431184 /nfs/dbraw/zinc/43/11/84/730431184.db2.gz KIZGYZOWNFLJPL-KBPBESRZSA-N 2 0 273.380 1.656 10 0 CDAERP C(C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)O[C@H]1CCOC1 ZINC000724929701 730435466 /nfs/dbraw/zinc/43/54/66/730435466.db2.gz DFJGWSVKKAEKTJ-LSDHHAIUSA-N 2 0 268.401 1.256 10 0 CDAERP [NH3+]CCOCC[N@@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156302 730442662 /nfs/dbraw/zinc/44/26/62/730442662.db2.gz HMYDOSZROJVAKZ-GDBMZVCRSA-N 3 0 283.460 1.581 10 0 CDAERP C[N@@H+]1CCC[C@@H]2C[NH+](CCO[C@@H]3CCOC3)CC[C@@H]21 ZINC000929849336 730444195 /nfs/dbraw/zinc/44/41/95/730444195.db2.gz XHMKWRZHELUBCD-KFWWJZLASA-N 2 0 268.401 1.208 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]CCc2cc(C)n(C)n2)[C@H](C)C1 ZINC000926916053 730452568 /nfs/dbraw/zinc/45/25/68/730452568.db2.gz UPWFWLMDNZDRCV-DOMZBBRYSA-N 2 0 264.417 1.591 10 0 CDAERP C([NH2+][C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000925830263 730463287 /nfs/dbraw/zinc/46/32/87/730463287.db2.gz CEBYIAWGWDJBNN-GGUVTUNTSA-N 2 0 294.439 1.691 10 0 CDAERP CCCc1nc(CN2CC[NH2+]CC[NH2+]CC2)cs1 ZINC000923463631 730464160 /nfs/dbraw/zinc/46/41/60/730464160.db2.gz VEOPAIVGHTUNQK-UHFFFAOYSA-N 2 0 268.430 1.090 10 0 CDAERP CC[C@H](CN1CCOCC1)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925824284 730468779 /nfs/dbraw/zinc/46/87/79/730468779.db2.gz WOSWSZCGOSVESR-KFWWJZLASA-N 2 0 283.460 1.593 10 0 CDAERP CCN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923491920 730472289 /nfs/dbraw/zinc/47/22/89/730472289.db2.gz VEOYLKJEGJOXQI-MNOVXSKESA-N 2 0 295.349 1.314 10 0 CDAERP C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)C1CCCC1 ZINC000925852948 730472994 /nfs/dbraw/zinc/47/29/94/730472994.db2.gz IXAYNJYWTKGFNG-GXTWGEPZSA-N 2 0 280.412 1.840 10 0 CDAERP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCOC1CCOCC1 ZINC000925878059 730487367 /nfs/dbraw/zinc/48/73/67/730487367.db2.gz PWUQCCYARITCKI-TZMCWYRMSA-N 2 0 256.390 1.289 10 0 CDAERP C[NH+](C)CC1CC[NH+](C[C@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000844277201 730517350 /nfs/dbraw/zinc/51/73/50/730517350.db2.gz KAGXIWDICFVCCP-AWEZNQCLSA-N 2 0 281.400 1.243 10 0 CDAERP Cc1cc(NC[C@@H](C)C[NH+]2CCCCC2)nc(N)[nH+]1 ZINC000225750398 730521476 /nfs/dbraw/zinc/52/14/76/730521476.db2.gz HQGTVOSEWKBJAC-LLVKDONJSA-N 2 0 263.389 1.901 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000847332072 730553965 /nfs/dbraw/zinc/55/39/65/730553965.db2.gz NVFVSJKDQUHZPJ-KBXIAJHMSA-N 2 0 296.459 1.499 10 0 CDAERP C[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@@H]([NH2+]2)[C@H]1C)C1CC[NH2+]CC1 ZINC000925726932 730554417 /nfs/dbraw/zinc/55/44/17/730554417.db2.gz ARPHPXBGJWZKDJ-GBIGGCNCSA-N 3 0 251.418 1.493 10 0 CDAERP C[NH+](C)CC1CC[NH+](C[C@@H](O)c2ccc(F)cn2)CC1 ZINC000799295744 730554753 /nfs/dbraw/zinc/55/47/53/730554753.db2.gz XKNZJIMUNPFLES-OAHLLOKOSA-N 2 0 281.375 1.528 10 0 CDAERP C(N[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925839110 730557208 /nfs/dbraw/zinc/55/72/08/730557208.db2.gz FTSBJHPPRNMDQA-ZHCJQAHYSA-N 2 0 293.455 1.265 10 0 CDAERP C[C@H](CC[NH2+]CC1CN(C(=O)OC(C)(C)C)C1)[NH+](C)C ZINC000710889279 730573153 /nfs/dbraw/zinc/57/31/53/730573153.db2.gz AVCQQPROABWODH-GFCCVEGCSA-N 2 0 285.432 1.783 10 0 CDAERP CCOC[C@@H](C)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925843292 730580218 /nfs/dbraw/zinc/58/02/18/730580218.db2.gz DPBGVPAZXJNLLT-CQSZACIVSA-N 2 0 257.422 1.077 10 0 CDAERP CC1CC[NH+](CCCCNC2=[NH+]CCCCN2)CC1 ZINC000849215301 730584899 /nfs/dbraw/zinc/58/48/99/730584899.db2.gz ATCVVQQGQRXZCL-UHFFFAOYSA-N 2 0 266.433 1.828 10 0 CDAERP Cn1c(C[NH2+][C@@H]2CCn3ccnc3C2)cnc1Cl ZINC000848549885 730625919 /nfs/dbraw/zinc/62/59/19/730625919.db2.gz WWDCBFLCYZTFKW-SECBINFHSA-N 2 0 265.748 1.375 10 0 CDAERP CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000251840241 730709727 /nfs/dbraw/zinc/70/97/27/730709727.db2.gz QJHHYZNCVYABSE-AGIUHOORSA-N 2 0 255.406 1.064 10 0 CDAERP C[NH+](C)CC[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)c1cccnc1 ZINC000928828938 730718676 /nfs/dbraw/zinc/71/86/76/730718676.db2.gz CMEHHTJDGPZRDU-CABCVRRESA-N 2 0 290.411 1.142 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC[S@@](C)=O)C1 ZINC000798197042 730721506 /nfs/dbraw/zinc/72/15/06/730721506.db2.gz OCAKOMXKPKTJSS-ZRGWGRIASA-N 2 0 286.485 1.951 10 0 CDAERP CC1(C)[C@H](O)CC[NH+]1C/C=C\C[N@H+]1CC[C@@H](O)C1(C)C ZINC000812865826 730729255 /nfs/dbraw/zinc/72/92/55/730729255.db2.gz TVYSQHFYRQRUPX-HLMASZERSA-N 2 0 282.428 1.233 10 0 CDAERP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccoc2)CC1 ZINC000825275266 730730534 /nfs/dbraw/zinc/73/05/34/730730534.db2.gz DGADZNCPWFVNDB-UHFFFAOYSA-N 2 0 265.401 1.785 10 0 CDAERP C[N@H+](CCN1CC[NH2+]CC1)Cc1ccc2cc[nH]c2c1 ZINC000866717718 730738202 /nfs/dbraw/zinc/73/82/02/730738202.db2.gz NHFHTTFUQRVPKF-UHFFFAOYSA-N 2 0 272.396 1.505 10 0 CDAERP C[NH+](C)CCN1CCC([NH2+][C@H]2CCCc3cn[nH]c32)CC1 ZINC000857846798 730744205 /nfs/dbraw/zinc/74/42/05/730744205.db2.gz HQISHOGFRFGVBF-HNNXBMFYSA-N 2 0 291.443 1.403 10 0 CDAERP C[C@@H]1OCC[C@@H]1C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923442349 730768333 /nfs/dbraw/zinc/76/83/33/730768333.db2.gz BPJQTAZSDCJNGO-MJBXVCDLSA-N 2 0 268.401 1.241 10 0 CDAERP CO[C@@H](C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1)C1CCC1 ZINC000923447773 730848906 /nfs/dbraw/zinc/84/89/06/730848906.db2.gz WVJKYIUBSBPSMD-CABCVRRESA-N 2 0 282.428 1.631 10 0 CDAERP CC(C)(C)[NH2+]CCC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000037812667 730851539 /nfs/dbraw/zinc/85/15/39/730851539.db2.gz ULJFZFRJSXKYBK-GFCCVEGCSA-N 2 0 253.390 1.071 10 0 CDAERP CO[C@@H]1CCC[C@H]([NH2+]CCCN2CC[NH+](C)CC2)CC1 ZINC000718757394 730852422 /nfs/dbraw/zinc/85/24/22/730852422.db2.gz YVMTYFXLHDOGIL-JKSUJKDBSA-N 2 0 283.460 1.561 10 0 CDAERP Cc1cc(CC[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)nn1C ZINC000925832022 730875061 /nfs/dbraw/zinc/87/50/61/730875061.db2.gz FNQORXJBDNYCPC-LBPRGKRZSA-N 2 0 287.411 1.784 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870868035 730881006 /nfs/dbraw/zinc/88/10/06/730881006.db2.gz ZNZMOGNURNPLCW-IVSAIRAKSA-N 2 0 293.455 1.885 10 0 CDAERP C[NH+](C)CCC1CC[NH+](C[C@@H](O)C2(O)CCCC2)CC1 ZINC000929328080 730889006 /nfs/dbraw/zinc/88/90/06/730889006.db2.gz QTNYFDJICOJZMD-OAHLLOKOSA-N 2 0 284.444 1.316 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCCOC[C@@H]2CCOC2)C1 ZINC000925523870 730893105 /nfs/dbraw/zinc/89/31/05/730893105.db2.gz VRBUOEKQTJTHDA-RRFJBIMHSA-N 2 0 284.444 1.925 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1CN2CCC[C@H]2CO1)[C@@H]1CCCCO1 ZINC000705968699 730907493 /nfs/dbraw/zinc/90/74/93/730907493.db2.gz ALPWAAIMKHFUSP-XQLPTFJDSA-N 2 0 268.401 1.397 10 0 CDAERP CC(C)C[C@@H](CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)[NH+](C)C ZINC000713362261 730919930 /nfs/dbraw/zinc/91/99/30/730919930.db2.gz QPOWQHHTAAQZCV-OSFYFWSMSA-N 2 0 267.417 1.206 10 0 CDAERP C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C)C1=CC[NH+](C)CC1 ZINC000921881943 730939973 /nfs/dbraw/zinc/93/99/73/730939973.db2.gz XRNFVQXLLLDHST-OUCADQQQSA-N 2 0 280.416 1.029 10 0 CDAERP Cc1cccnc1NC(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923491881 730956210 /nfs/dbraw/zinc/95/62/10/730956210.db2.gz UUHCRDCHGPDKTJ-QWHCGFSZSA-N 2 0 276.384 1.245 10 0 CDAERP C[N@H+](CC(=O)N1CC[NH+](C)C(C)(C)CC1)[C@H]1CCSC1 ZINC000871155326 730975768 /nfs/dbraw/zinc/97/57/68/730975768.db2.gz UHBKAXUNSCDYLI-ZDUSSCGKSA-N 2 0 299.484 1.366 10 0 CDAERP C[NH+]1C[C@@]2(C)CN(C(=O)CC[NH2+]C(C)(C)C)C[C@]2(C)C1 ZINC000707091116 730998045 /nfs/dbraw/zinc/99/80/45/730998045.db2.gz XDUCKBLNSITNDV-HOTGVXAUSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000724570841 731016672 /nfs/dbraw/zinc/01/66/72/731016672.db2.gz UROMLLQMKTYCSU-FQUUOJAGSA-N 2 0 256.390 1.096 10 0 CDAERP C[C@H](Cn1ccnc1)[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000710944943 731024983 /nfs/dbraw/zinc/02/49/83/731024983.db2.gz GUNIJHZJRVELFF-GFCCVEGCSA-N 2 0 294.399 1.728 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872257103 731029519 /nfs/dbraw/zinc/02/95/19/731029519.db2.gz LFDCMUXQHAHIMM-MJBXVCDLSA-N 2 0 281.400 1.290 10 0 CDAERP CC1(C)CCC[N@@H+]1CCNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000849039179 731032141 /nfs/dbraw/zinc/03/21/41/731032141.db2.gz LZRCEROTAYNZSK-LBPRGKRZSA-N 2 0 268.405 1.154 10 0 CDAERP OCC1(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CCOCC1 ZINC000925618937 731032435 /nfs/dbraw/zinc/03/24/35/731032435.db2.gz XFIQOKMPIHDCPB-CVEARBPZSA-N 2 0 296.455 1.533 10 0 CDAERP CCOCC[C@H](O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000923363988 731062143 /nfs/dbraw/zinc/06/21/43/731062143.db2.gz HJIGBHACDYNWAI-ILXRZTDVSA-N 2 0 270.417 1.238 10 0 CDAERP C[C@@H]1[C@H](NC(=O)NC[C@@H]2CCCC[NH+]2C2CC2)CC[N@@H+]1C ZINC000922206793 731062178 /nfs/dbraw/zinc/06/21/78/731062178.db2.gz RJTIKVLALUZMRB-VHDGCEQUSA-N 2 0 294.443 1.395 10 0 CDAERP C[NH+]1CCC(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925497627 731076521 /nfs/dbraw/zinc/07/65/21/731076521.db2.gz XKLJJGFYRUGBIZ-UONOGXRCSA-N 3 0 253.434 1.824 10 0 CDAERP C[C@H](CNC(=O)N(C)CC1C[NH+](C)C1)[NH+]1CCCCC1 ZINC000852186149 731099006 /nfs/dbraw/zinc/09/90/06/731099006.db2.gz XPDOZNKCLHJJAS-CYBMUJFWSA-N 2 0 282.432 1.064 10 0 CDAERP C[NH+](C)CC1CCC([NH2+]C[C@@H](O)CC(C)(C)O)CC1 ZINC000872205243 731137307 /nfs/dbraw/zinc/13/73/07/731137307.db2.gz YJIDXZBKRVFAQV-RUXDESIVSA-N 2 0 272.433 1.218 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCO[C@@H]1CC1(F)F ZINC000926698213 731163213 /nfs/dbraw/zinc/16/32/13/731163213.db2.gz ZRIIELDMDILUTG-FBTJUVTCSA-N 2 0 260.328 1.340 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]CCC(=O)NC2CCCCC2)C12CCC2 ZINC000925486310 731167112 /nfs/dbraw/zinc/16/71/12/731167112.db2.gz QNTABSOWXGYCEQ-KGLIPLIRSA-N 2 0 279.428 1.685 10 0 CDAERP [NH3+]CCCNC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000841753658 731192993 /nfs/dbraw/zinc/19/29/93/731192993.db2.gz MXBOCBXTWMVBTE-UHFFFAOYSA-N 2 0 296.459 1.679 10 0 CDAERP COCC[N@H+](C)CCCN[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000924654339 731229628 /nfs/dbraw/zinc/22/96/28/731229628.db2.gz RBBYNJUSHYRTCS-HOTGVXAUSA-N 2 0 283.460 1.561 10 0 CDAERP CC[N@H+](C)C[C@H](O)CN1CCc2ccsc2[C@H]1C ZINC000712286040 731231028 /nfs/dbraw/zinc/23/10/28/731231028.db2.gz UUZVHHLECIQVLO-YPMHNXCESA-N 2 0 268.426 1.980 10 0 CDAERP C[C@H]1[C@H](NC(=O)NCc2ccc3c[nH+]cn3c2)CC[N@@H+]1C ZINC000922834823 731258700 /nfs/dbraw/zinc/25/87/00/731258700.db2.gz QFLVTMBODVNGSF-SMDDNHRTSA-N 2 0 287.367 1.226 10 0 CDAERP C[C@@H](CN[C@H]1CC[NH2+]C12CCC2)C[NH+]1CCCCC1 ZINC000925484747 731273546 /nfs/dbraw/zinc/27/35/46/731273546.db2.gz JJABTYCWDVOMGK-GJZGRUSLSA-N 2 0 265.445 1.983 10 0 CDAERP C[C@@H]1CC[N@H+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)C[C@H]1C[NH3+] ZINC000720876282 731295480 /nfs/dbraw/zinc/29/54/80/731295480.db2.gz ACFJFFLAAYEDAG-SEBNEYGDSA-N 2 0 252.402 1.861 10 0 CDAERP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000094648287 731304281 /nfs/dbraw/zinc/30/42/81/731304281.db2.gz PUXYXOPGVKIIRU-HOCLYGCPSA-N 2 0 293.455 1.709 10 0 CDAERP C1CC2(C1)[NH2+]CC[C@@H]2[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000863483283 731313502 /nfs/dbraw/zinc/31/35/02/731313502.db2.gz UKQQHFSMBDWCEB-IGQOVBAYSA-N 2 0 262.397 1.818 10 0 CDAERP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)CCC2(O)CCC2)C1 ZINC000929791244 731317934 /nfs/dbraw/zinc/31/79/34/731317934.db2.gz QRIZTCSXJPVCMM-HUUCEWRRSA-N 2 0 284.444 1.316 10 0 CDAERP [NH3+][C@@H]1C[C@@H](NC[C@@H]2C[NH2+]CCC2(F)F)c2ccccc21 ZINC000925776861 731326409 /nfs/dbraw/zinc/32/64/09/731326409.db2.gz NAVOWLMXUFKCFK-ZLKJLUDKSA-N 2 0 281.350 1.966 10 0 CDAERP C[N@@H+]1C[C@@H]2C[NH+](C[C@H]3CC4(CCC4)CO3)C[C@]2(C)C1 ZINC000933734100 731337762 /nfs/dbraw/zinc/33/77/62/731337762.db2.gz LOIZDFPSLNYZHX-KFWWJZLASA-N 2 0 264.413 1.829 10 0 CDAERP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@@H]1C(F)(F)F ZINC000720811859 731354315 /nfs/dbraw/zinc/35/43/15/731354315.db2.gz QUZKVIYXZZIHBD-AXFHLTTASA-N 2 0 266.307 1.482 10 0 CDAERP [NH3+]CCCCCCC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000863576584 731363305 /nfs/dbraw/zinc/36/33/05/731363305.db2.gz WEGIMWZEPOKOGA-KRWDZBQOSA-N 3 0 297.487 1.986 10 0 CDAERP CC1CC[NH+](CCNC(=O)CCC23CC(C2)C[NH2+]3)CC1 ZINC000870865635 731365572 /nfs/dbraw/zinc/36/55/72/731365572.db2.gz ALQHZBIPVBQJGL-UHFFFAOYSA-N 2 0 279.428 1.367 10 0 CDAERP C[C@H]1C[N@H+](CC(=O)NCc2ccccc2)CC[C@H]1C[NH3+] ZINC000251599936 731372052 /nfs/dbraw/zinc/37/20/52/731372052.db2.gz DBFIKEHUUFLTRB-ZFWWWQNUSA-N 2 0 275.396 1.220 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC000925627327 731403212 /nfs/dbraw/zinc/40/32/12/731403212.db2.gz BKRKCSWTXRYALW-RYUDHWBXSA-N 2 0 253.390 1.008 10 0 CDAERP C[C@H](CNC(=O)C[N@@H+]1CCC[C@H]1C)[NH+]1CCC[C@H]1C ZINC000929754218 731404142 /nfs/dbraw/zinc/40/41/42/731404142.db2.gz LABWVBFRRTZDFO-MGPQQGTHSA-N 2 0 267.417 1.460 10 0 CDAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@@H]3COc4ccccc4O3)C[C@H]12 ZINC000312615480 731423941 /nfs/dbraw/zinc/42/39/41/731423941.db2.gz AKFUHGWSYWAPAS-YIYPIFLZSA-N 2 0 274.364 1.496 10 0 CDAERP C([C@@H]1CC[C@@H](C2CC2)O1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000715510993 731425536 /nfs/dbraw/zinc/42/55/36/731425536.db2.gz QOQQVSBPMLKEFN-KKUMJFAQSA-N 2 0 250.386 1.629 10 0 CDAERP [NH3+][C@@H]1CN(CCC[NH2+]C2CC2)CC[C@@H]1C(F)(F)F ZINC000923431744 731454055 /nfs/dbraw/zinc/45/40/55/731454055.db2.gz XHJSHYSPCOJNQG-WDEREUQCSA-N 2 0 265.323 1.340 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCCN2CCOC2=O)[C@H](C)C1 ZINC000081095032 731460667 /nfs/dbraw/zinc/46/06/67/731460667.db2.gz MLIXVWUVVRTVFZ-ZIAGYGMSSA-N 2 0 283.416 1.491 10 0 CDAERP CCO[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1C[NH3+] ZINC000708342144 731562435 /nfs/dbraw/zinc/56/24/35/731562435.db2.gz ZHVXAJPKCDVMCZ-FRRDWIJNSA-N 2 0 256.390 1.097 10 0 CDAERP CC(C)CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923500545 731569804 /nfs/dbraw/zinc/56/98/04/731569804.db2.gz PMRRUOODWGMWRD-AGIUHOORSA-N 2 0 255.406 1.064 10 0 CDAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CCC1CC[NH2+]CC1)CC2 ZINC000923453018 731630308 /nfs/dbraw/zinc/63/03/08/731630308.db2.gz YAXHTKLVBJLJSE-HNNXBMFYSA-N 3 0 281.444 1.206 10 0 CDAERP C[C@@H]1C[N@H+](Cc2noc3c2CCCC3)CC[C@H]1C[NH3+] ZINC000923496925 731664073 /nfs/dbraw/zinc/66/40/73/731664073.db2.gz KJVQPTIFFIYSBY-NEPJUHHUSA-N 2 0 263.385 1.970 10 0 CDAERP CC[C@H](C[C@@H](C)O)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000866637559 731693920 /nfs/dbraw/zinc/69/39/20/731693920.db2.gz WYCIOUNDJPRTSK-TZMCWYRMSA-N 2 0 254.418 2.000 10 0 CDAERP C[C@@H](CNC(=O)[C@@]1(C)CCCC[NH2+]1)[NH+]1CCCCC1 ZINC000133297781 731695129 /nfs/dbraw/zinc/69/51/29/731695129.db2.gz XQDWADCYJYAESP-DZGCQCFKSA-N 2 0 267.417 1.509 10 0 CDAERP C[C@@](O)(C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)C(F)(F)F ZINC000925628733 731710257 /nfs/dbraw/zinc/71/02/57/731710257.db2.gz HYHOXZYLNQVNCS-FXPVBKGRSA-N 2 0 268.323 1.795 10 0 CDAERP CN(Cc1ccccc1)C[C@@H](O)C[N@@H+]1CC[C@@H](CF)C1 ZINC000880294040 731714632 /nfs/dbraw/zinc/71/46/32/731714632.db2.gz QSVPWBOZLQCROP-JKSUJKDBSA-N 2 0 280.387 1.771 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC1(C)OCCO1 ZINC000926165967 731714741 /nfs/dbraw/zinc/71/47/41/731714741.db2.gz SQXHXOBCZRUIIK-FUNVUKJBSA-N 2 0 254.374 1.069 10 0 CDAERP CC(=O)N1CC[C@@H]([NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925722545 731732463 /nfs/dbraw/zinc/73/24/63/731732463.db2.gz WTCLFQCGDGQYSW-UPJWGTAASA-N 2 0 253.390 1.103 10 0 CDAERP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C(C)(C)CO ZINC000925554455 731800595 /nfs/dbraw/zinc/80/05/95/731800595.db2.gz AMWKYCKVNQTDLU-IMJJTQAJSA-N 2 0 298.471 1.751 10 0 CDAERP C[C@H](CN[C@H]1C[C@H]([NH3+])C12CCC2)[NH+]1CCC(C)CC1 ZINC000925511601 731816005 /nfs/dbraw/zinc/81/60/05/731816005.db2.gz PTMHHQSBPWKQPT-ILXRZTDVSA-N 2 0 265.445 1.966 10 0 CDAERP COC[C@H]([NH2+][C@H](C)CCCC[NH3+])[C@@H]1CCCOC1 ZINC000925781256 731839719 /nfs/dbraw/zinc/83/97/19/731839719.db2.gz XPQUFHAPJKBVMV-MCIONIFRSA-N 2 0 258.406 1.535 10 0 CDAERP Cc1c(C[NH2+]CCCN2CC[NH+](C)CC2)ccnc1F ZINC000862294532 731849396 /nfs/dbraw/zinc/84/93/96/731849396.db2.gz MBTHDFNOQGQGHH-UHFFFAOYSA-N 2 0 280.391 1.256 10 0 CDAERP COCC[N@H+](C)CCC[NH2+][C@H](C1CC1)[C@@H]1CCCOC1 ZINC000924653304 731855292 /nfs/dbraw/zinc/85/52/92/731855292.db2.gz IRGVHTGVCGLFII-HZPDHXFCSA-N 2 0 284.444 1.750 10 0 CDAERP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261894129 731915779 /nfs/dbraw/zinc/91/57/79/731915779.db2.gz VNKRFMFQEWRMHF-XGUBFFRZSA-N 2 0 279.428 1.079 10 0 CDAERP CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723887152 731944146 /nfs/dbraw/zinc/94/41/46/731944146.db2.gz RFJOSIUYCQQQBB-VXGBXAGGSA-N 2 0 255.406 1.208 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)NCC1([NH+](C)C)CC1 ZINC000841715597 731954718 /nfs/dbraw/zinc/95/47/18/731954718.db2.gz BHEHBLDHTAKRFQ-ZDUSSCGKSA-N 2 0 282.432 1.254 10 0 CDAERP C[C@]1(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)CC[NH2+]C1 ZINC000843060990 731991634 /nfs/dbraw/zinc/99/16/34/731991634.db2.gz VYFVFBBKFQZJTJ-HOTGVXAUSA-N 2 0 282.428 1.646 10 0 CDAERP C[NH+]1CCC2(CCC[N@H+](C[C@H](O)C3(O)CCCC3)C2)CC1 ZINC000930310855 732024710 /nfs/dbraw/zinc/02/47/10/732024710.db2.gz RICNWGGOFSVMRS-HNNXBMFYSA-N 2 0 296.455 1.460 10 0 CDAERP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](CCCCCF)CC1 ZINC000863550018 732026516 /nfs/dbraw/zinc/02/65/16/732026516.db2.gz XBBMSYBXCQRMHR-KGLIPLIRSA-N 2 0 299.390 1.383 10 0 CDAERP CN1CC[NH+](CC2CC[NH+](Cc3ccoc3)CC2)CC1 ZINC000809736621 732074449 /nfs/dbraw/zinc/07/44/49/732074449.db2.gz BSPDXNQPLCOZAE-UHFFFAOYSA-N 2 0 277.412 1.739 10 0 CDAERP CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H](C)[NH2+]1 ZINC000826679275 732087844 /nfs/dbraw/zinc/08/78/44/732087844.db2.gz ZIDXZPMHWONPEJ-BFHYXJOUSA-N 2 0 267.417 1.458 10 0 CDAERP CC1(C)CCC[C@@H](C[NH+]2CCC(O)(C[NH3+])CC2)O1 ZINC000714332665 732106840 /nfs/dbraw/zinc/10/68/40/732106840.db2.gz XJVCIHROCSIZPR-LBPRGKRZSA-N 2 0 256.390 1.120 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000870994769 732111234 /nfs/dbraw/zinc/11/12/34/732111234.db2.gz UYWCKVCEHWIAAJ-RISCZKNCSA-N 2 0 255.406 1.337 10 0 CDAERP NC(=O)CC1CC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000718406347 732136917 /nfs/dbraw/zinc/13/69/17/732136917.db2.gz RILUACACQWDWTD-DMTXQYTPSA-N 2 0 265.401 1.151 10 0 CDAERP CC(C)O[C@]1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCOC1 ZINC000722356107 732153508 /nfs/dbraw/zinc/15/35/08/732153508.db2.gz MURMMEQGEDSTKW-PMPSAXMXSA-N 2 0 282.428 1.787 10 0 CDAERP CO[C@@H]1CCC[C@@H]([NH2+]CCOCC[NH+](C)C)CC1 ZINC000718784954 732233542 /nfs/dbraw/zinc/23/35/42/732233542.db2.gz BDLYEROKKSCGIG-ZIAGYGMSSA-N 2 0 258.406 1.502 10 0 CDAERP C[NH+]1CCC(c2nc(CC3CC[NH2+]CC3)no2)CC1 ZINC000720812284 732247196 /nfs/dbraw/zinc/24/71/96/732247196.db2.gz MURXUWSNDGFVHB-UHFFFAOYSA-N 2 0 264.373 1.421 10 0 CDAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000925830386 732251491 /nfs/dbraw/zinc/25/14/91/732251491.db2.gz CXBNMXOQODCPHY-SFXCNKRSSA-N 2 0 291.395 1.303 10 0 CDAERP c1ccc2c(c1)OC[C@H](C[NH2+][C@@H]1CCC[NH2+]CC1)O2 ZINC000128901749 732287354 /nfs/dbraw/zinc/28/73/54/732287354.db2.gz IMRMRYFCGYEPQP-OLZOCXBDSA-N 2 0 262.353 1.558 10 0 CDAERP CCCNC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923310968 732296130 /nfs/dbraw/zinc/29/61/30/732296130.db2.gz QCTBNOZVRNMOOR-CYBMUJFWSA-N 2 0 267.417 1.367 10 0 CDAERP CC(C)[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000925011054 732300256 /nfs/dbraw/zinc/30/02/56/732300256.db2.gz PJBRLJSXZJTUAV-SOUVJXGZSA-N 2 0 254.418 1.979 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@@H](C2CC2)C2CCCC2)CC1 ZINC000925816766 732369418 /nfs/dbraw/zinc/36/94/18/732369418.db2.gz IKFAGJFNVLLFNP-MRXNPFEDSA-N 2 0 265.445 1.968 10 0 CDAERP C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2)C[C@H]1CC[NH3+] ZINC000723907464 732381545 /nfs/dbraw/zinc/38/15/45/732381545.db2.gz LFAWVJXJLMIKFI-ZIAGYGMSSA-N 2 0 275.396 1.932 10 0 CDAERP c1cc2c(cc1NCC13CC(C1)C[NH2+]3)C[NH2+]CCO2 ZINC000873212165 732402013 /nfs/dbraw/zinc/40/20/13/732402013.db2.gz IXOWLLUZCFNDCN-UHFFFAOYSA-N 2 0 259.353 1.333 10 0 CDAERP O=C1CC[C@@H]2C[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[C@@H]2N1 ZINC000719277112 732434116 /nfs/dbraw/zinc/43/41/16/732434116.db2.gz HEANLLZGLUKCEE-IWNKAIHXSA-N 2 0 277.412 1.118 10 0 CDAERP C[C@H](Cn1ccnc1)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925543890 732451933 /nfs/dbraw/zinc/45/19/33/732451933.db2.gz OGCIASKVTRXAQZ-JHJVBQTASA-N 2 0 250.390 1.767 10 0 CDAERP CCC1([NH3+])CCN([C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000714758435 732465472 /nfs/dbraw/zinc/46/54/72/732465472.db2.gz NXTUQPMYNUNEMN-UONOGXRCSA-N 3 0 251.418 1.817 10 0 CDAERP O=C1CC[N@H+](CCC[NH2+]C2CC2)CCCCCCN1 ZINC000923417319 732471336 /nfs/dbraw/zinc/47/13/36/732471336.db2.gz RQUPVQHFAAYUSC-UHFFFAOYSA-N 2 0 267.417 1.511 10 0 CDAERP O[C@@H](C[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2)C[NH+]1CCCC1 ZINC000924758414 732488969 /nfs/dbraw/zinc/48/89/69/732488969.db2.gz VLUKUPFXZANYQO-XGUBFFRZSA-N 2 0 250.386 1.387 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)CCC23CC(C2)C[NH2+]3)C1 ZINC000870951662 732525829 /nfs/dbraw/zinc/52/58/29/732525829.db2.gz BTNIWAKSKKHPOT-MFOWVQHXSA-N 2 0 279.428 1.508 10 0 CDAERP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC000872145681 732553030 /nfs/dbraw/zinc/55/30/30/732553030.db2.gz WJVTVISLTDGXPK-STQMWFEESA-N 2 0 252.402 1.923 10 0 CDAERP C[C@H]1C[N@H+](Cc2cccc3c2OCCO3)CC[C@H]1C[NH3+] ZINC000923497902 732558899 /nfs/dbraw/zinc/55/88/99/732558899.db2.gz NEMBDJYVUDSYQX-STQMWFEESA-N 2 0 276.380 1.875 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711357472 732565068 /nfs/dbraw/zinc/56/50/68/732565068.db2.gz XJETZQUFJMOECP-NEPJUHHUSA-N 2 0 255.406 1.079 10 0 CDAERP O=C(CC[NH2+]CC1CC1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000870879331 732577400 /nfs/dbraw/zinc/57/74/00/732577400.db2.gz FBOVPSDBAWGDJX-UHFFFAOYSA-N 2 0 285.351 1.596 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000870988400 732579930 /nfs/dbraw/zinc/57/99/30/732579930.db2.gz OOUBHRLSOHXVGL-KOZAUXTDSA-N 2 0 279.428 1.337 10 0 CDAERP CC(C)O[C@@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCOC1 ZINC000722358094 732596480 /nfs/dbraw/zinc/59/64/80/732596480.db2.gz YXTOZEGAGRYGJK-WTXIUTQJSA-N 2 0 282.428 1.785 10 0 CDAERP C[C@@H](CN[C@H]1CC[NH2+]C12CCCC2)C[NH+]1CCCC1 ZINC000925479838 732660648 /nfs/dbraw/zinc/66/06/48/732660648.db2.gz KOAWYGDDFOGGIF-GJZGRUSLSA-N 2 0 265.445 1.983 10 0 CDAERP C(C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000714787380 732716638 /nfs/dbraw/zinc/71/66/38/732716638.db2.gz FKHDVMYRRLYWOL-OAGGEKHMSA-N 2 0 263.429 1.402 10 0 CDAERP C[C@@H]1C[N@@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)CC[C@H]1C[NH3+] ZINC000923496949 732754652 /nfs/dbraw/zinc/75/46/52/732754652.db2.gz KOKHHDTVCODQRI-OUAUKWLOSA-N 2 0 293.333 1.066 10 0 CDAERP C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923301657 732759080 /nfs/dbraw/zinc/75/90/80/732759080.db2.gz JOFCIQARNRMJLE-ZDUSSCGKSA-N 2 0 290.363 1.226 10 0 CDAERP CC(C)(C[NH3+])C1CC[NH+](CCN2CCOCC2)CC1 ZINC000714456017 732770902 /nfs/dbraw/zinc/77/09/02/732770902.db2.gz NMFFQIUHLAUIPL-UHFFFAOYSA-N 2 0 269.433 1.016 10 0 CDAERP C[NH+](C)C1CCN(CC[NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)CC1 ZINC000925213638 732771529 /nfs/dbraw/zinc/77/15/29/732771529.db2.gz BBHHXIKSJMQRIX-UXLLHSPISA-N 2 0 277.456 1.957 10 0 CDAERP Cc1n[nH]c(CC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)n1 ZINC000925633839 732808576 /nfs/dbraw/zinc/80/85/76/732808576.db2.gz ZIXHOOPQGNZDOQ-KBPBESRZSA-N 2 0 277.416 1.414 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](C)[C@H]1C ZINC000928446054 732831205 /nfs/dbraw/zinc/83/12/05/732831205.db2.gz UGLKLRLTZFVVHB-YNEHKIRRSA-N 2 0 253.390 1.070 10 0 CDAERP C(C1CCC2(CC2)CC1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000923352326 732854561 /nfs/dbraw/zinc/85/45/61/732854561.db2.gz CXWXQJGTFTVKSM-INIZCTEOSA-N 2 0 277.456 1.936 10 0 CDAERP CC[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)[C@@H]1CCCOC1 ZINC000872033166 732879857 /nfs/dbraw/zinc/87/98/57/732879857.db2.gz GATALIXMEFYXEX-XHSDSOJGSA-N 2 0 283.460 1.417 10 0 CDAERP CN(C)C(=O)N(C)[C@@H]1CC[N@H+](CCCCCCC[NH3+])C1 ZINC000852761554 732906809 /nfs/dbraw/zinc/90/68/09/732906809.db2.gz WZSAGWRXULLZGB-CQSZACIVSA-N 2 0 284.448 1.583 10 0 CDAERP C[C@@H](CNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)[NH+]1CCCCC1 ZINC000841725331 733018787 /nfs/dbraw/zinc/01/87/87/733018787.db2.gz MHXNPJTWGSCSFU-HZSPNIEDSA-N 2 0 282.432 1.158 10 0 CDAERP C[C@@H]([NH2+]CCOC(F)(F)C(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000720249699 733026707 /nfs/dbraw/zinc/02/67/07/733026707.db2.gz MUJDMRDDMUXURL-SFYZADRCSA-N 2 0 276.249 1.746 10 0 CDAERP C[N@@H+]1CC[C@@]2(CC[NH+](CCOC3CCSCC3)C2)C1 ZINC000930555286 733078824 /nfs/dbraw/zinc/07/88/24/733078824.db2.gz LYLHFPAMTVVFRY-OAHLLOKOSA-N 2 0 284.469 1.926 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCOC12CCOCC2 ZINC000926708847 733140778 /nfs/dbraw/zinc/14/07/78/733140778.db2.gz RNRFSYHGIIGKEF-KGLIPLIRSA-N 2 0 268.401 1.398 10 0 CDAERP C[NH+](C)CCCNC(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000867981850 1164892490 /nfs/dbraw/zinc/89/24/90/1164892490.db2.gz YSDBAPCCIYVFJE-UHFFFAOYSA-N 2 0 284.448 1.500 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)N1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000868369877 1164939398 /nfs/dbraw/zinc/93/93/98/1164939398.db2.gz IUGYWMHGSUYOFO-LSDHHAIUSA-N 2 0 296.459 1.454 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCC2CC[NH+](C3CC3)CC2)CC[N@@H+]1C ZINC000356046636 1167343060 /nfs/dbraw/zinc/34/30/60/1167343060.db2.gz BHKYQNCDNPQKML-ZFWWWQNUSA-N 2 0 293.455 1.707 10 0 CDAERP CCCC[NH2+]CC[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001569999631 1167570668 /nfs/dbraw/zinc/57/06/68/1167570668.db2.gz CFNSWJRQAXBDLZ-AWEZNQCLSA-N 2 0 269.433 1.566 10 0 CDAERP CC(C)=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001570364465 1167574849 /nfs/dbraw/zinc/57/48/49/1167574849.db2.gz UFOZXLSERROSLD-LSDHHAIUSA-N 2 0 281.444 1.729 10 0 CDAERP COCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001440629254 1167713835 /nfs/dbraw/zinc/71/38/35/1167713835.db2.gz ZHZGPCJPHGWQRQ-AWEZNQCLSA-N 2 0 299.459 1.190 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CCOC(C)C)[C@@H](C)C1 ZINC001502754493 1167774679 /nfs/dbraw/zinc/77/46/79/1167774679.db2.gz RQUYBZFDFOXXCV-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCCC[NH+](C)CCCF)CC[N@@H+]1C ZINC001566484871 1168302578 /nfs/dbraw/zinc/30/25/78/1168302578.db2.gz ZFCJVBMPJWFHPQ-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP Cc1cc(C[N@@H+](C)CCCNC(=O)CC[NH+](C)C)cs1 ZINC001566488882 1168306401 /nfs/dbraw/zinc/30/64/01/1168306401.db2.gz IPHKOTGDYLQAMC-UHFFFAOYSA-N 2 0 297.468 1.946 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC[NH+](CCF)C1CC1 ZINC001566604415 1168353460 /nfs/dbraw/zinc/35/34/60/1168353460.db2.gz YTURSRCZSNVBMG-OKILXGFUSA-N 2 0 299.434 1.799 10 0 CDAERP CC(C)C[NH2+]CC(=O)N1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC001647256898 1168495038 /nfs/dbraw/zinc/49/50/38/1168495038.db2.gz XAQILSQLZCFYRJ-RRFJBIMHSA-N 2 0 297.443 1.119 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001483670706 912490297 /nfs/dbraw/zinc/49/02/97/912490297.db2.gz QHKGBZGJVBSCMG-KGLIPLIRSA-N 2 0 299.434 1.799 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC001433970184 912674982 /nfs/dbraw/zinc/67/49/82/912674982.db2.gz SLOAKKNYVUHHOP-UKRRQHHQSA-N 2 0 281.444 1.707 10 0 CDAERP CC1CC(C[N@@H+]2CC[C@H]2CNC(=O)CCCC[NH+](C)C)C1 ZINC001483694243 912868870 /nfs/dbraw/zinc/86/88/70/912868870.db2.gz UVWXHRLLDHGXGI-GPANFISMSA-N 2 0 295.471 1.955 10 0 CDAERP CCCCC[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001567297073 1168664308 /nfs/dbraw/zinc/66/43/08/1168664308.db2.gz JTZKGJSWBSBNIM-CYBMUJFWSA-N 2 0 255.406 1.319 10 0 CDAERP CC(C)CC[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001567297596 1168666129 /nfs/dbraw/zinc/66/61/29/1168666129.db2.gz ZXFPRYGCAQZJGQ-CYBMUJFWSA-N 2 0 255.406 1.175 10 0 CDAERP CN1CCC[C@@H]1C[N@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699281098 913673506 /nfs/dbraw/zinc/67/35/06/913673506.db2.gz GCMDMBJXRKCUAU-JALIKCBVSA-N 2 0 251.418 1.543 10 0 CDAERP CCn1cc(C[N@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC000699306082 913713225 /nfs/dbraw/zinc/71/32/25/913713225.db2.gz SVZIPNDVGULGSS-LQDVMPOASA-N 2 0 262.401 1.865 10 0 CDAERP CC(C)CCC[N@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001480865536 894183226 /nfs/dbraw/zinc/18/32/26/894183226.db2.gz LFCZYJOUTRSSQB-MRXNPFEDSA-N 2 0 295.471 1.812 10 0 CDAERP CC[C@H](C(=O)NCC[N@H+](C)CC[C@@H](C)F)[NH+](C)C ZINC001266351015 894508353 /nfs/dbraw/zinc/50/83/53/894508353.db2.gz XVMMWNCCFAQPJQ-VXGBXAGGSA-N 2 0 261.385 1.123 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001266517667 895195043 /nfs/dbraw/zinc/19/50/43/895195043.db2.gz MAYSONGYDCKVRI-OAHLLOKOSA-N 2 0 293.455 1.875 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001266786384 896049971 /nfs/dbraw/zinc/04/99/71/896049971.db2.gz HCFYDNSIBCLLNK-HOCLYGCPSA-N 2 0 293.455 1.566 10 0 CDAERP COCCC[NH2+]CCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001266851928 896191156 /nfs/dbraw/zinc/19/11/56/896191156.db2.gz GBSUQXOUYHMOGZ-OAHLLOKOSA-N 2 0 299.459 1.335 10 0 CDAERP CC(C)[NH2+]C1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001266913553 896331839 /nfs/dbraw/zinc/33/18/39/896331839.db2.gz KDKLIIRYLBOGJA-UHFFFAOYSA-N 2 0 255.406 1.364 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)CC[NH2+]Cc1ccccc1C ZINC001266952155 896423192 /nfs/dbraw/zinc/42/31/92/896423192.db2.gz DQQNRERFIKQVKY-UHFFFAOYSA-N 2 0 291.439 1.885 10 0 CDAERP C[C@@H](CC[NH+](C)C)[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724097472 896487597 /nfs/dbraw/zinc/48/75/97/896487597.db2.gz XHEMFHRFEZSIFB-DTWKUNHWSA-N 2 0 292.292 1.865 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001267307894 897552441 /nfs/dbraw/zinc/55/24/41/897552441.db2.gz XYGXVKIMZNTPQX-CVEARBPZSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]CCC2CC2)CC[N@@H+]1C ZINC001267374729 897758066 /nfs/dbraw/zinc/75/80/66/897758066.db2.gz JJBJPALIXXJDHC-TZMCWYRMSA-N 2 0 267.417 1.175 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)CC[NH2+]C[C@@H]1CCO[C@@H](C)C1 ZINC001267451810 897916897 /nfs/dbraw/zinc/91/68/97/897916897.db2.gz SMCAREACSIDNAN-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP CC/C=C/CC[NH2+]CCN(C)C(=O)C[NH+]1CCCC1 ZINC001567606485 1168884098 /nfs/dbraw/zinc/88/40/98/1168884098.db2.gz OFVDUTFFCOGBGD-SNAWJCMRSA-N 2 0 267.417 1.487 10 0 CDAERP COCCC[N@H+](C)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001267745844 899540643 /nfs/dbraw/zinc/54/06/43/899540643.db2.gz HQWDYWPXSFDBLR-UHFFFAOYSA-N 2 0 299.459 1.145 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001267750832 899588101 /nfs/dbraw/zinc/58/81/01/899588101.db2.gz OFGGOTUMEBNVDB-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1(C[NH2+]CCF)CCCC1 ZINC001267837303 899844887 /nfs/dbraw/zinc/84/48/87/899844887.db2.gz KLWMXQPAYJBPQP-CQSZACIVSA-N 2 0 299.434 1.847 10 0 CDAERP CC[C@H](C(=O)N(C)CC[NH2+]CC1=CCCCC1)[NH+](C)C ZINC001481304303 900282763 /nfs/dbraw/zinc/28/27/63/900282763.db2.gz PIULKCJFSOIGRQ-OAHLLOKOSA-N 2 0 281.444 1.875 10 0 CDAERP COCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001268158582 901444073 /nfs/dbraw/zinc/44/40/73/901444073.db2.gz GPKHFSGLRGQQLO-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCN(C)C(=O)CC[NH+](C)C ZINC001268247885 901664945 /nfs/dbraw/zinc/66/49/45/901664945.db2.gz VPZCBXVMMZIUNH-LBPRGKRZSA-N 2 0 261.385 1.076 10 0 CDAERP CC/C=C\CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)[NH+](C)C ZINC001481681561 901782982 /nfs/dbraw/zinc/78/29/82/901782982.db2.gz MAJNRAQJLVNNBK-MJDAYYQESA-N 2 0 293.455 1.968 10 0 CDAERP CC[C@H](F)CN1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001481692801 901809997 /nfs/dbraw/zinc/80/99/97/901809997.db2.gz UVWRPQJAPIQOHL-MELADBBJSA-N 2 0 287.423 1.511 10 0 CDAERP C[C@@H](CC[NH2+]C/C=C/Cl)NC(=O)C[N@H+](C)C1CCC1 ZINC001268372944 901954305 /nfs/dbraw/zinc/95/43/05/901954305.db2.gz NIDNJYMVOXCFPM-GXWOQWCDSA-N 2 0 287.835 1.708 10 0 CDAERP C[C@H](CC[NH2+]CCF)NC(=O)C[NH+]1CCC(C)CC1 ZINC001268411218 902019200 /nfs/dbraw/zinc/01/92/00/902019200.db2.gz KYXLAPNJLXRGDA-CYBMUJFWSA-N 2 0 273.396 1.172 10 0 CDAERP C[NH+](C)CCC(=O)NC1C[NH+](CCCC(C)(C)C)C1 ZINC001268444933 902069161 /nfs/dbraw/zinc/06/91/61/902069161.db2.gz FGJJXPYILUEBJC-UHFFFAOYSA-N 2 0 269.433 1.565 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]([NH2+]C/C=C\Cl)C2)C1 ZINC001422038842 902074677 /nfs/dbraw/zinc/07/46/77/902074677.db2.gz RXWRSGIMNBHJBD-WKSPHBBESA-N 2 0 285.819 1.271 10 0 CDAERP CCN(CC[NH2+]CCOC)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001268482423 902315140 /nfs/dbraw/zinc/31/51/40/902315140.db2.gz QZHXKKXMKNJABV-OAHLLOKOSA-N 2 0 299.459 1.334 10 0 CDAERP CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001481975788 902428902 /nfs/dbraw/zinc/42/89/02/902428902.db2.gz BFNSGCUZZLLSEW-BZUAXINKSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)N1CCO[C@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001482191071 902946667 /nfs/dbraw/zinc/94/66/67/902946667.db2.gz UUABXJQAKDCPLN-LSDHHAIUSA-N 2 0 297.443 1.086 10 0 CDAERP CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CC[NH+](C)C ZINC001268771650 903107549 /nfs/dbraw/zinc/10/75/49/903107549.db2.gz NRGGUNGHHQRUPN-OLZOCXBDSA-N 2 0 255.406 1.223 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001269165461 903500057 /nfs/dbraw/zinc/50/00/57/903500057.db2.gz CABKQWGBCAOTGH-OAHLLOKOSA-N 2 0 279.428 1.629 10 0 CDAERP CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)[NH2+]CC(C)C ZINC001269491940 903856711 /nfs/dbraw/zinc/85/67/11/903856711.db2.gz HCCCALYXKOBMSW-CHWSQXEVSA-N 2 0 257.422 1.467 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CC[C@@H](CC[NH2+]CCF)C2)CC[N@@H+]1C ZINC001280165533 904373592 /nfs/dbraw/zinc/37/35/92/904373592.db2.gz YBFQGFNQPHMNEG-ZNMIVQPWSA-N 2 0 299.434 1.514 10 0 CDAERP Cc1cnc(C[NH2+]C[C@H](C)N(C)C(=O)CC[NH+](C)C)s1 ZINC001482323964 905014294 /nfs/dbraw/zinc/01/42/94/905014294.db2.gz ARSNQAILYGRJRP-NSHDSACASA-N 2 0 298.456 1.340 10 0 CDAERP C[C@]1(C[NH2+]CCF)CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001270848374 905139477 /nfs/dbraw/zinc/13/94/77/905139477.db2.gz TVZHBJSVXFPAPE-MRXNPFEDSA-N 2 0 299.434 1.660 10 0 CDAERP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CCCCCF ZINC001567866376 1169028941 /nfs/dbraw/zinc/02/89/41/1169028941.db2.gz MTFMZMJCEUKWCR-GJZGRUSLSA-N 2 0 297.418 1.507 10 0 CDAERP C[C@@H](C[NH2+]CCOC1CCC1)N(C)C(=O)C[NH+]1CCCC1 ZINC001271209176 906180262 /nfs/dbraw/zinc/18/02/62/906180262.db2.gz TXDDYRUNDVTQOO-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP COCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C ZINC001272033923 907574479 /nfs/dbraw/zinc/57/44/79/907574479.db2.gz LAPFDWLWLGABIK-HUUCEWRRSA-N 2 0 297.443 1.040 10 0 CDAERP CN(CC[N@H+](C)CC1CC(C)(C)C1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001482649008 908116363 /nfs/dbraw/zinc/11/63/63/908116363.db2.gz FSWAKFFAKNCLSO-HNNXBMFYSA-N 2 0 295.471 1.765 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC1CCC1 ZINC001482687575 908287995 /nfs/dbraw/zinc/28/79/95/908287995.db2.gz CVOHRRKFEOGAIV-LSDHHAIUSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC001482697998 908294082 /nfs/dbraw/zinc/29/40/82/908294082.db2.gz NLCJJTZNBVHLMJ-HOTGVXAUSA-N 2 0 293.455 1.923 10 0 CDAERP Cc1cc(C[NH2+]CC[C@@H](C)NC(=O)CC[NH+](C)C)cs1 ZINC001482867483 908448175 /nfs/dbraw/zinc/44/81/75/908448175.db2.gz ITNCPCNTOBHQMY-GFCCVEGCSA-N 2 0 297.468 1.993 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CC1CC1 ZINC001483026668 908720268 /nfs/dbraw/zinc/72/02/68/908720268.db2.gz PHJQEYAJWAFOLZ-XGACYXMMSA-N 2 0 265.401 1.143 10 0 CDAERP CC[NH2+]C/C=C\CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001483060092 909197326 /nfs/dbraw/zinc/19/73/26/909197326.db2.gz CRAXDXJEQAXLND-XHPSBEMXSA-N 2 0 285.407 1.481 10 0 CDAERP CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc1cnoc1C)[NH+](C)C ZINC001483083825 909301283 /nfs/dbraw/zinc/30/12/83/909301283.db2.gz QTHIRLIHKZRARG-AFNCTOJWSA-N 2 0 294.399 1.085 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001483166602 909897704 /nfs/dbraw/zinc/89/77/04/909897704.db2.gz MMCDJQPHFDCVAU-ZIAGYGMSSA-N 2 0 269.433 1.469 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)CCCCC[NH3+] ZINC000037001269 910021130 /nfs/dbraw/zinc/02/11/30/910021130.db2.gz BNIVYBYNYLLVKE-ZDUSSCGKSA-N 2 0 257.422 1.598 10 0 CDAERP C[C@@H](C[NH2+]C/C=C/Cl)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001483236137 910525888 /nfs/dbraw/zinc/52/58/88/910525888.db2.gz AHRPYRFQGLRAMK-JDRGJFMNSA-N 2 0 287.835 1.708 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(F)cc1 ZINC001483296556 910816409 /nfs/dbraw/zinc/81/64/09/910816409.db2.gz KKCKUMMAHLWSNB-ZDUSSCGKSA-N 2 0 295.402 1.760 10 0 CDAERP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@H+](C)CC[C@@H]1CCOC1 ZINC001483422151 911095796 /nfs/dbraw/zinc/09/57/96/911095796.db2.gz VBJIKYSPVSLWKP-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP CN(CCC[NH2+]CCC1CC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001483456346 911144755 /nfs/dbraw/zinc/14/47/55/911144755.db2.gz UCMQPMKGEJHFIQ-CQSZACIVSA-N 2 0 267.417 1.319 10 0 CDAERP CC[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]1[NH2+]CCOC ZINC001483627535 911989647 /nfs/dbraw/zinc/98/96/47/911989647.db2.gz XXXOEIQUKDZTPQ-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP C[NH+](C)CC1(C(=O)N2CC[C@@H](CC[NH2+]CCF)C2)CC1 ZINC001484535730 915864483 /nfs/dbraw/zinc/86/44/83/915864483.db2.gz JSPNXMBBYYQJQK-CYBMUJFWSA-N 2 0 285.407 1.126 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001493232224 936317846 /nfs/dbraw/zinc/31/78/46/936317846.db2.gz CKYMLIUJZKMUJY-CQSZACIVSA-N 2 0 269.433 1.422 10 0 CDAERP CC1CC(C[N@@H+]2CCC[C@@H](NC(=O)CC[NH+](C)C)CC2)C1 ZINC001484724735 916085238 /nfs/dbraw/zinc/08/52/38/916085238.db2.gz XITPQYMIADFTCF-UYSNPLJNSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]1C ZINC001484988479 916348236 /nfs/dbraw/zinc/34/82/36/916348236.db2.gz XRGVCHVTOGXANZ-KBPBESRZSA-N 2 0 269.433 1.706 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH+](C)CCCOC)CC[N@@H+]1C ZINC001485305190 916818408 /nfs/dbraw/zinc/81/84/08/916818408.db2.gz AMDPWERGUHWVNA-SOUVJXGZSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC1(C[NH2+]C[C@H](C)O)CCCCC1 ZINC001485458859 916991507 /nfs/dbraw/zinc/99/15/07/916991507.db2.gz HCQGMAPASFBIAD-AWEZNQCLSA-N 2 0 299.459 1.116 10 0 CDAERP CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCCC[NH+](C)C)C[C@H]2C1 ZINC001485658208 917158164 /nfs/dbraw/zinc/15/81/64/917158164.db2.gz TXBJQWRKDUKZMH-JYJNAYRXSA-N 2 0 295.471 1.955 10 0 CDAERP CC[NH2+]C[C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001485687140 917184357 /nfs/dbraw/zinc/18/43/57/917184357.db2.gz USEHHGRLKVLDKS-MGPQQGTHSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001485811542 917485230 /nfs/dbraw/zinc/48/52/30/917485230.db2.gz OIGDMIIKQHIOLD-CVEARBPZSA-N 2 0 293.455 1.563 10 0 CDAERP COCC[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001485875330 920539270 /nfs/dbraw/zinc/53/92/70/920539270.db2.gz LDKKDFONFIUBCX-CQSZACIVSA-N 2 0 299.459 1.334 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]CCF)C2CCCCC2)C1 ZINC001568349413 1169257012 /nfs/dbraw/zinc/25/70/12/1169257012.db2.gz VQUHXALHKMJZID-CABCVRRESA-N 2 0 299.434 1.562 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001490924165 936831502 /nfs/dbraw/zinc/83/15/02/936831502.db2.gz YTXQGMROBOWRQF-LYYZXLFJSA-N 2 0 295.471 2.000 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CCC[NH+](CCCF)C2)C1 ZINC001491125604 936862211 /nfs/dbraw/zinc/86/22/11/936862211.db2.gz MLWOYUBCMARVRT-HUUCEWRRSA-N 2 0 299.434 1.516 10 0 CDAERP CCOCC[C@@H](O)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000923390875 923797984 /nfs/dbraw/zinc/79/79/84/923797984.db2.gz WPMMNCRYKSEZQQ-JKSUJKDBSA-N 2 0 284.444 1.486 10 0 CDAERP C(C[NH2+]C1CC1)C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000923388924 923803579 /nfs/dbraw/zinc/80/35/79/923803579.db2.gz PQHUEONOVFHVHF-OAHLLOKOSA-N 3 0 265.445 1.840 10 0 CDAERP CCOCCOCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000923413434 923818252 /nfs/dbraw/zinc/81/82/52/923818252.db2.gz DQZYHPQHZQDPAZ-ZIAGYGMSSA-N 2 0 256.390 1.113 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCc1ccccc1 ZINC001491413238 936910832 /nfs/dbraw/zinc/91/08/32/936910832.db2.gz BSAKBVJJMNFXNE-HOCLYGCPSA-N 2 0 289.423 1.418 10 0 CDAERP CC(C)COCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001491502623 936926055 /nfs/dbraw/zinc/92/60/55/936926055.db2.gz ANUFGDBYUSCHFZ-LSDHHAIUSA-N 2 0 299.459 1.238 10 0 CDAERP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCC1CCCC1 ZINC001410494270 925826028 /nfs/dbraw/zinc/82/60/28/925826028.db2.gz LRDAAKKNDGDCBY-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](F)C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001488534998 926624196 /nfs/dbraw/zinc/62/41/96/926624196.db2.gz PUSRVJDUZULFPF-HZSPNIEDSA-N 2 0 297.418 1.267 10 0 CDAERP CC[N@@H+]1CC[C@]2(NC(=O)CC[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001410896278 926742723 /nfs/dbraw/zinc/74/27/23/926742723.db2.gz KJZRWJABNAJTBD-ZMSDIMECSA-N 2 0 293.455 1.994 10 0 CDAERP CC(C)[N@@H+]1CC[C@@]2(NC(=O)CCc3c[nH]cn3)CCC[C@H]12 ZINC001410920757 926764026 /nfs/dbraw/zinc/76/40/26/926764026.db2.gz YTHYZRCFABQEGX-HOCLYGCPSA-N 2 0 290.411 1.864 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+][C@@H](C)COC)C(C)(C)C1 ZINC001411097068 927008703 /nfs/dbraw/zinc/00/87/03/927008703.db2.gz JBKHXVUFYJILQA-UONOGXRCSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@@H]([NH2+]CCF)[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001490310789 927109623 /nfs/dbraw/zinc/10/96/23/927109623.db2.gz UBGWKCWATCNLNW-ZIAGYGMSSA-N 2 0 285.407 1.411 10 0 CDAERP CCC[N@H+](C)CCN(C(=O)[C@@H]1CN(CC)CCO1)C(C)C ZINC001411201111 927223918 /nfs/dbraw/zinc/22/39/18/927223918.db2.gz GWQSCTWESBIKIO-HNNXBMFYSA-N 2 0 299.459 1.286 10 0 CDAERP Cc1ncc(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)s1 ZINC000850353850 927419866 /nfs/dbraw/zinc/41/98/66/927419866.db2.gz NYAAIDSPTOBAEI-LBPRGKRZSA-N 2 0 284.473 1.813 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)C=C2CC[NH2+]CC2)CC[N@@H+]1C ZINC000852871051 927901244 /nfs/dbraw/zinc/90/12/44/927901244.db2.gz ULDRGEMYZSOUBT-TZMCWYRMSA-N 2 0 265.401 1.237 10 0 CDAERP C[NH+]1CCC(CCO)(N[C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000858185788 928817994 /nfs/dbraw/zinc/81/79/94/928817994.db2.gz YSYOHAKCADGAJP-CQSZACIVSA-N 2 0 283.460 1.296 10 0 CDAERP CC[C@@H](F)C[NH2+]C1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001411282621 929053081 /nfs/dbraw/zinc/05/30/81/929053081.db2.gz RICHPDBYCJBSOF-IYXRBSQSSA-N 2 0 297.418 1.409 10 0 CDAERP C[N@@H+]1CCN(C(=O)CCCn2ccnc2)C[C@@H]1C(C)(C)C ZINC000880614588 929727083 /nfs/dbraw/zinc/72/70/83/929727083.db2.gz XMNAWFCKAQPRNT-CQSZACIVSA-N 2 0 292.427 1.852 10 0 CDAERP CC(C)OC(=O)N1CCC([NH2+][C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000817911890 930626943 /nfs/dbraw/zinc/62/69/43/930626943.db2.gz MZIQDJVMDJWSEI-NEPJUHHUSA-N 2 0 271.405 1.711 10 0 CDAERP CN1CC[NH+](CCCC[NH2+]CCc2ccc(F)cc2)CC1 ZINC001116507238 937452255 /nfs/dbraw/zinc/45/22/55/937452255.db2.gz IPZGJJZFLKOTKZ-UHFFFAOYSA-N 2 0 293.430 1.985 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCCF ZINC001319455415 931205711 /nfs/dbraw/zinc/20/57/11/931205711.db2.gz SCWXQYBPOFPVIP-KBPBESRZSA-N 2 0 287.423 1.655 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CCCF)C1 ZINC001274298537 931488874 /nfs/dbraw/zinc/48/88/74/931488874.db2.gz OPVFPDVZQMZZHT-QWHCGFSZSA-N 2 0 273.396 1.123 10 0 CDAERP C[C@@H](CC[NH2+]CCC(F)(F)F)NC(=O)Cc1c[nH]cn1 ZINC001320562543 931515961 /nfs/dbraw/zinc/51/59/61/931515961.db2.gz MGKPVILHOMUSQZ-VIFPVBQESA-N 2 0 292.305 1.389 10 0 CDAERP CC[C@H](C(=O)NC/C=C/C[NH2+]CCC(F)(F)F)[NH+](C)C ZINC001321340012 931605104 /nfs/dbraw/zinc/60/51/04/931605104.db2.gz WLGGSVPSXPVNFL-MVIFTORASA-N 2 0 295.349 1.541 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@@H](CC[NH2+]CC2CC2)C1 ZINC001326350711 932203596 /nfs/dbraw/zinc/20/35/96/932203596.db2.gz CFKOLJKMQGPBFD-CQSZACIVSA-N 2 0 267.417 1.176 10 0 CDAERP C[NH2+]CCCCC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000719727400 932245223 /nfs/dbraw/zinc/24/52/23/932245223.db2.gz GWLAHZAUOXJVFK-ZDUSSCGKSA-N 2 0 255.406 1.176 10 0 CDAERP CC(C)CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001449013075 932251716 /nfs/dbraw/zinc/25/17/16/932251716.db2.gz GEUCGLKJNDPHQW-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+]2CC[C@@H](F)C2)C1 ZINC001412226648 932330708 /nfs/dbraw/zinc/33/07/08/932330708.db2.gz MVMWTYHUTHHHFU-ZIAGYGMSSA-N 2 0 285.407 1.361 10 0 CDAERP CC[C@H](C(=O)N(C)CCC[NH2+]Cc1ccccn1)[NH+](C)C ZINC001276071227 932490355 /nfs/dbraw/zinc/49/03/55/932490355.db2.gz PNXNOWKMWVOEQQ-OAHLLOKOSA-N 2 0 292.427 1.360 10 0 CDAERP CC1CC[NH+](CC(=O)N2CC[C@@H](CC[NH+](C)C)C2)CC1 ZINC001412603927 932549539 /nfs/dbraw/zinc/54/95/39/932549539.db2.gz YZFDBUBKTUNOOR-OAHLLOKOSA-N 2 0 281.444 1.519 10 0 CDAERP C[NH2+]C[C@@H](C)CNC(=O)NCCC[N@H+](C)CC(C)C ZINC001118313935 937615447 /nfs/dbraw/zinc/61/54/47/937615447.db2.gz SNVPLKSWEQTLGS-CYBMUJFWSA-N 2 0 272.437 1.119 10 0 CDAERP C(C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)CN1CCOCC1 ZINC000925494364 932892628 /nfs/dbraw/zinc/89/26/28/932892628.db2.gz OJYLDGBCWVKFCZ-IRXDYDNUSA-N 2 0 295.471 1.467 10 0 CDAERP C[C@H](NC[C@@H]1C[NH2+]CCC1(F)F)c1c[nH+]ccc1N ZINC000925779304 932939018 /nfs/dbraw/zinc/93/90/18/932939018.db2.gz WTBUPIBIBOTRIZ-UWVGGRQHSA-N 2 0 270.327 1.390 10 0 CDAERP C[C@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@@H+]1C ZINC000928438730 933144036 /nfs/dbraw/zinc/14/40/36/933144036.db2.gz UZQIWOJKWDYHEZ-GWCFXTLKSA-N 2 0 258.325 1.157 10 0 CDAERP FC(F)(F)[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)CCO1 ZINC000687575219 934316633 /nfs/dbraw/zinc/31/66/33/934316633.db2.gz CDXRQCGRHCBXIM-NSHDSACASA-N 2 0 266.307 1.639 10 0 CDAERP NC(=O)CC1CC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000718406362 934819594 /nfs/dbraw/zinc/81/95/94/934819594.db2.gz RILUACACQWDWTD-YTPFDHIKSA-N 2 0 265.401 1.151 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCN2CCSC[C@H]12 ZINC000720494936 935169267 /nfs/dbraw/zinc/16/92/67/935169267.db2.gz JTZQBDZOXWWLQR-MGPQQGTHSA-N 2 0 271.474 1.673 10 0 CDAERP C[C@@H]1CC[N@H+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)C[C@@H]1C[NH3+] ZINC000720876280 935259549 /nfs/dbraw/zinc/25/95/49/935259549.db2.gz ACFJFFLAAYEDAG-QTVXIADOSA-N 2 0 252.402 1.861 10 0 CDAERP CCN(C(=O)C1CC[NH+](CC(C)C)CC1)[C@H]1CC[N@H+](C)C1 ZINC001413260264 935969220 /nfs/dbraw/zinc/96/92/20/935969220.db2.gz ZMWJILYEXNXUTD-INIZCTEOSA-N 2 0 295.471 1.907 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1CCCC[C@H]1[NH3+])C1CCCC1 ZINC000249978859 938932069 /nfs/dbraw/zinc/93/20/69/938932069.db2.gz KJDYFVTVDYWDGD-UONOGXRCSA-N 2 0 267.417 1.495 10 0 CDAERP CC(C)C[NH2+]CC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001568671221 1169423891 /nfs/dbraw/zinc/42/38/91/1169423891.db2.gz MRTRDGLSDWDZOT-ZDUSSCGKSA-N 2 0 269.433 1.469 10 0 CDAERP CC[C@@]1(C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC[NH2+]C1 ZINC001329645678 940778121 /nfs/dbraw/zinc/77/81/21/940778121.db2.gz CTRMCSQBYABOID-IUODEOHRSA-N 2 0 267.417 1.271 10 0 CDAERP CCC[NH2+][C@H](C)[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001282182848 942672425 /nfs/dbraw/zinc/67/24/25/942672425.db2.gz CHXUZBYGCZLAOO-VXGBXAGGSA-N 2 0 255.406 1.221 10 0 CDAERP C[C@H](CN(C)C(=O)[C@@]12CC[N@H+](C1)CCC2)[NH2+]CCCF ZINC001283706491 942974208 /nfs/dbraw/zinc/97/42/08/942974208.db2.gz WURYQRUTUOHUPD-HIFRSBDPSA-N 2 0 285.407 1.268 10 0 CDAERP CC[NH+](CC)C[C@H]1CCN(C(=O)CC[N@@H+]2CC[C@H](F)C2)C1 ZINC001362157076 970955623 /nfs/dbraw/zinc/95/56/23/970955623.db2.gz XPFNJOBHCKCGNH-CABCVRRESA-N 2 0 299.434 1.611 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@@H](CNC(=O)Cc2cncn2C)C1 ZINC001263849768 944001835 /nfs/dbraw/zinc/00/18/35/944001835.db2.gz WODWDLNLUUQSGH-OKILXGFUSA-N 2 0 292.427 1.637 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCCF)C1 ZINC001264114933 944080925 /nfs/dbraw/zinc/08/09/25/944080925.db2.gz NWPWDIMKPVLZMG-CABCVRRESA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)C[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001264440936 944137201 /nfs/dbraw/zinc/13/72/01/944137201.db2.gz RUBLEBYIFRCLKV-HDJSIYSDSA-N 2 0 269.433 1.467 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC=C(C)C)C1 ZINC001265312277 944338633 /nfs/dbraw/zinc/33/86/33/944338633.db2.gz KTXNPOWUHIKNQD-OAHLLOKOSA-N 2 0 281.444 1.875 10 0 CDAERP C[N@H+](CC(=O)NC1CCC([NH2+]CCCF)CC1)C1CCC1 ZINC001265736300 944484109 /nfs/dbraw/zinc/48/41/09/944484109.db2.gz OYGPMFIKFNUKDQ-UHFFFAOYSA-N 2 0 299.434 1.847 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)NC1CCC([NH2+]CCCF)CC1 ZINC001265736168 944484432 /nfs/dbraw/zinc/48/44/32/944484432.db2.gz JSGQKLOTYYUOCC-NRXISQOPSA-N 2 0 299.434 1.847 10 0 CDAERP CC(C)CC[NH2+][C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001265823387 944525627 /nfs/dbraw/zinc/52/56/27/944525627.db2.gz HBJSAUUZNWYKSS-UONOGXRCSA-N 2 0 269.433 1.469 10 0 CDAERP CO[C@@H](C)C[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001265845401 944537901 /nfs/dbraw/zinc/53/79/01/944537901.db2.gz MQAPKISAGQGFOQ-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)CCC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001265939976 944584643 /nfs/dbraw/zinc/58/46/43/944584643.db2.gz FYLDBCSVILZVDX-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](C)C[NH2+][C@@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001278017953 944591630 /nfs/dbraw/zinc/59/16/30/944591630.db2.gz RTMXJVKUWGUOMH-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCCC[NH+](C)C[C@@H]1CC[C@H](C)O1 ZINC001265978557 944611482 /nfs/dbraw/zinc/61/14/82/944611482.db2.gz QKOKTGMZSQOJCT-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H](CC)[NH+](C)C ZINC001279311072 944794315 /nfs/dbraw/zinc/79/43/15/944794315.db2.gz DXHRAXMQQBPBPK-MRXNPFEDSA-N 2 0 291.439 1.965 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](CC=C(C)C)C[C@@H]2C1 ZINC001279409734 944802694 /nfs/dbraw/zinc/80/26/94/944802694.db2.gz KIXJFOGDPWBVLW-IYBDPMFKSA-N 2 0 293.455 1.685 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)N(C)[C@@H]2CCC[NH+](C)C2)C1 ZINC001362390469 971220101 /nfs/dbraw/zinc/22/01/01/971220101.db2.gz YQCWMTNYCCKKIF-HUUCEWRRSA-N 2 0 281.444 1.659 10 0 CDAERP C[NH+](C)CCCC(=O)N1CCCC[C@H]1C[N@H+](C)CCCO ZINC001479739299 971388720 /nfs/dbraw/zinc/38/87/20/971388720.db2.gz XITXIOCJFRTBEZ-HNNXBMFYSA-N 2 0 299.459 1.024 10 0 CDAERP C[C@H]1C[C@H]([NH2+]CCCF)CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001278409750 947729713 /nfs/dbraw/zinc/72/97/13/947729713.db2.gz LCNCUTKMQGGCSH-GJZGRUSLSA-N 2 0 299.434 1.657 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)CC(C)C ZINC001479838765 971443565 /nfs/dbraw/zinc/44/35/65/971443565.db2.gz GCUHXSQAQXYFSK-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)C[C@@H]21 ZINC001362601856 971444156 /nfs/dbraw/zinc/44/41/56/971444156.db2.gz MWBLMGVKFZRQEW-BARDWOONSA-N 2 0 277.412 1.166 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)CC[N@@H+]1C ZINC001362623325 971467282 /nfs/dbraw/zinc/46/72/82/971467282.db2.gz DWLMKKWESNIQDS-DZKIICNBSA-N 2 0 293.455 1.850 10 0 CDAERP C[C@@H]1CN(C(=O)CC[NH+]2CC[C@H](F)C2)CC[N@@H+](C2CC2)C1 ZINC001362658366 971502581 /nfs/dbraw/zinc/50/25/81/971502581.db2.gz UHLSWEYVHHZSGP-KBPBESRZSA-N 2 0 297.418 1.363 10 0 CDAERP CC(C)[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001569038405 1169607264 /nfs/dbraw/zinc/60/72/64/1169607264.db2.gz LQEJAYSMAGHILT-KGLIPLIRSA-N 2 0 269.433 1.610 10 0 CDAERP CC(C)OCCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001480485387 971750833 /nfs/dbraw/zinc/75/08/33/971750833.db2.gz AHVMSJZXSSSUPU-CABCVRRESA-N 2 0 299.459 1.380 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C2([NH+](C)C)CCCC2)C1 ZINC001363030724 971825775 /nfs/dbraw/zinc/82/57/75/971825775.db2.gz LTWRUZLZBNNGBA-CQSZACIVSA-N 2 0 281.444 1.802 10 0 CDAERP C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC001363126006 971909311 /nfs/dbraw/zinc/90/93/11/971909311.db2.gz TYMZHJDOLJEWII-JYJNAYRXSA-N 2 0 287.407 1.500 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N[C@@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC001363492114 953376938 /nfs/dbraw/zinc/37/69/38/953376938.db2.gz WJZKXTKSGPPRJT-MGPQQGTHSA-N 2 0 281.444 1.563 10 0 CDAERP C[NH+]1CCC(C(=O)N2CC[C@@H](CC[NH2+]CCF)C2)CC1 ZINC001326352874 954336124 /nfs/dbraw/zinc/33/61/24/954336124.db2.gz PDUBQYYBDCXMCT-CYBMUJFWSA-N 2 0 285.407 1.126 10 0 CDAERP CC[NH+](CC)CC[C@@H](C)NC(=O)N1CC[C@H]([N@H+](C)CC)C1 ZINC001364348750 954485624 /nfs/dbraw/zinc/48/56/24/954485624.db2.gz GUDMUMPGDBXDKN-CABCVRRESA-N 2 0 298.475 1.842 10 0 CDAERP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C[C@@H](C)CC ZINC001493331021 972019617 /nfs/dbraw/zinc/01/96/17/972019617.db2.gz CSYMVLXRWQULHT-GJZGRUSLSA-N 2 0 283.460 1.812 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CCCF)CCC2)CC[N@@H+]1C ZINC001326821869 954572189 /nfs/dbraw/zinc/57/21/89/954572189.db2.gz JIENXTVPPGYHPC-UONOGXRCSA-N 2 0 299.434 1.705 10 0 CDAERP CC/C=C\CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001326928074 954621796 /nfs/dbraw/zinc/62/17/96/954621796.db2.gz IFSMSBXYCAVEDR-FOSCPCJNSA-N 2 0 293.455 1.923 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)NOC2CC[NH+](C)CC2)CC1 ZINC001297797521 955080946 /nfs/dbraw/zinc/08/09/46/955080946.db2.gz JHMDGESZNFDPKR-UHFFFAOYSA-N 2 0 297.443 1.496 10 0 CDAERP C[C@@H]1[C@H](C(=O)N(C)CCNCc2cscn2)CC[N@@H+]1C ZINC001493551694 972080923 /nfs/dbraw/zinc/08/09/23/972080923.db2.gz RUJHOHONARNPCW-DGCLKSJQSA-N 2 0 296.440 1.031 10 0 CDAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC1CCCC1 ZINC001491578616 955297331 /nfs/dbraw/zinc/29/73/31/955297331.db2.gz FWABYILNQIYODL-KGLIPLIRSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1 ZINC001491674156 955381228 /nfs/dbraw/zinc/38/12/28/955381228.db2.gz RFOBAQLNGAZFQT-HIFRSBDPSA-N 2 0 275.396 1.233 10 0 CDAERP C[C@H]([NH2+]C/C=C/Cl)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001421522756 955388564 /nfs/dbraw/zinc/38/85/64/955388564.db2.gz KWHHGSYPFKUJNF-YUZRODSESA-N 2 0 287.835 1.517 10 0 CDAERP CN(C)[C@@H](C(=O)N[C@H]1C[N@H+](C)CC1(C)C)c1ccccc1 ZINC001364956130 955418330 /nfs/dbraw/zinc/41/83/30/955418330.db2.gz RIKDRNQHAWALPS-LSDHHAIUSA-N 2 0 289.423 1.746 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CC[C@@H](CC[NH+](C)C)C2)CC[N@@H+]1C ZINC001363349166 972106009 /nfs/dbraw/zinc/10/60/09/972106009.db2.gz WJHBHLIZYWVCJW-ZNMIVQPWSA-N 2 0 281.444 1.517 10 0 CDAERP C[C@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC1CC1 ZINC001492069381 955605467 /nfs/dbraw/zinc/60/54/67/955605467.db2.gz MXYBGIVNLZOKTB-OCCSQVGLSA-N 2 0 267.417 1.365 10 0 CDAERP CC[NH2+]CCN(C)C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001493759892 972111273 /nfs/dbraw/zinc/11/12/73/972111273.db2.gz OTBGXAGNUJFWKT-HNNXBMFYSA-N 2 0 277.412 1.747 10 0 CDAERP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC001329148627 955719093 /nfs/dbraw/zinc/71/90/93/955719093.db2.gz LZFLPJIEYHGZDG-XLWJZTARSA-N 2 0 268.401 1.158 10 0 CDAERP CCC[NH2+]C1(C)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001422054452 955722557 /nfs/dbraw/zinc/72/25/57/955722557.db2.gz QTBIOYMQLUSSHC-OAHLLOKOSA-N 2 0 293.455 1.709 10 0 CDAERP CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001329198493 955751052 /nfs/dbraw/zinc/75/10/52/955751052.db2.gz XHYSIYUXRUCCHV-UONOGXRCSA-N 2 0 269.433 1.755 10 0 CDAERP CN(CC[N@H+](C)CC12CC(C)(C1)OC2)C1CC[NH+](C)CC1 ZINC001365297844 955853417 /nfs/dbraw/zinc/85/34/17/955853417.db2.gz ZQKXWBMBJMXBJW-UHFFFAOYSA-N 2 0 295.471 1.513 10 0 CDAERP CC[C@H](C)C[NH2+]CC1CC(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001422273681 955905885 /nfs/dbraw/zinc/90/58/85/955905885.db2.gz RBLRUVADXHFVIJ-NFOMZHRRSA-N 2 0 295.471 1.859 10 0 CDAERP Cc1noc(C)c1C[NH2+][C@H](C)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001422387418 955977745 /nfs/dbraw/zinc/97/77/45/955977745.db2.gz NSOYHYXPPQYDMK-GHMZBOCLSA-N 2 0 296.415 1.226 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001365517265 956111622 /nfs/dbraw/zinc/11/16/22/956111622.db2.gz DURUTZRVIFBQKF-LSDHHAIUSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001494049045 972169161 /nfs/dbraw/zinc/16/91/61/972169161.db2.gz UMYTZAGLSMMIJB-GJZGRUSLSA-N 2 0 283.460 1.812 10 0 CDAERP CCCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001330359477 956395012 /nfs/dbraw/zinc/39/50/12/956395012.db2.gz ITBMWJUFRATPEK-LVQVYYBASA-N 2 0 295.471 1.811 10 0 CDAERP CC(C)[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001365859815 956409046 /nfs/dbraw/zinc/40/90/46/956409046.db2.gz VPQYGKVKZSFHGJ-ZNMIVQPWSA-N 2 0 283.460 1.856 10 0 CDAERP CC(C)CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001366097158 956561221 /nfs/dbraw/zinc/56/12/21/956561221.db2.gz DPWWAUXRGHIVOR-AWEZNQCLSA-N 2 0 281.444 1.565 10 0 CDAERP O=C(CCc1c[nH]cn1)N[C@H]1C[C@@H]([NH2+]CCC2CC2)C1 ZINC001366144624 956601728 /nfs/dbraw/zinc/60/17/28/956601728.db2.gz CSLASWJVWPAROA-OKILXGFUSA-N 2 0 276.384 1.379 10 0 CDAERP Cc1ccncc1C[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001366153390 956607638 /nfs/dbraw/zinc/60/76/38/956607638.db2.gz DKUQIZOWHNAEHD-GASCZTMLSA-N 2 0 290.411 1.079 10 0 CDAERP CC[C@H](F)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001423209569 956670847 /nfs/dbraw/zinc/67/08/47/956670847.db2.gz OFYCMFJCDULWBL-UONOGXRCSA-N 2 0 299.434 1.846 10 0 CDAERP CC(C)[NH2+][C@H](C)[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001329201612 956953897 /nfs/dbraw/zinc/95/38/97/956953897.db2.gz DHEQYULRZKDZOA-KGLIPLIRSA-N 2 0 269.433 1.754 10 0 CDAERP CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001331308599 956961371 /nfs/dbraw/zinc/96/13/71/956961371.db2.gz HEJYQNBBUNOOHI-ZIAGYGMSSA-N 2 0 267.417 1.317 10 0 CDAERP CC[C@H](C)C[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001423979452 957062092 /nfs/dbraw/zinc/06/20/92/957062092.db2.gz JJXKQFFYJYKAAQ-SOUVJXGZSA-N 2 0 281.444 1.374 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCCCF)C1 ZINC001316982715 957180126 /nfs/dbraw/zinc/18/01/26/957180126.db2.gz PBCVPKAKDOLNIH-CABCVRRESA-N 2 0 299.434 1.801 10 0 CDAERP O=C(NC[C@@H]([NH2+]CCCF)C1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001317013910 957202642 /nfs/dbraw/zinc/20/26/42/957202642.db2.gz QEAWBOKYNCSEEB-LSDHHAIUSA-N 2 0 297.418 1.172 10 0 CDAERP CCCCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001317105915 957274565 /nfs/dbraw/zinc/27/45/65/957274565.db2.gz ZCDVUVPXTQITSW-QLFBSQMISA-N 2 0 297.443 1.134 10 0 CDAERP C[NH+](C)CCC(=O)N1CCCC[C@@H]1C[NH2+]CCC1CC1 ZINC001317194345 957335419 /nfs/dbraw/zinc/33/54/19/957335419.db2.gz YFUNACKIBUHWJV-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP CCN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@@H+]([C@H](C)COC)C1 ZINC001367072004 957385120 /nfs/dbraw/zinc/38/51/20/957385120.db2.gz OOGAJWXCBOOSMV-CABCVRRESA-N 2 0 297.443 1.040 10 0 CDAERP CCN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CC2CC2)C1 ZINC001367076329 957385753 /nfs/dbraw/zinc/38/57/53/957385753.db2.gz IAIBJILTKFZUQW-HOTGVXAUSA-N 2 0 293.455 1.661 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cccc2c[nH]nc21 ZINC001332014505 957399680 /nfs/dbraw/zinc/39/96/80/957399680.db2.gz VISMWIRPBRQGGI-VXGBXAGGSA-N 2 0 258.369 1.898 10 0 CDAERP CC[C@H](C)C[N@H+](C)[C@@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001425090660 957467334 /nfs/dbraw/zinc/46/73/34/957467334.db2.gz WODSCEQLFZIGEP-KBPBESRZSA-N 2 0 271.449 1.809 10 0 CDAERP CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001425584455 957573888 /nfs/dbraw/zinc/57/38/88/957573888.db2.gz XXIKRZKMDFEFQB-DZGCQCFKSA-N 2 0 281.444 1.850 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)C1 ZINC001332457174 957574160 /nfs/dbraw/zinc/57/41/60/957574160.db2.gz YSFYZURCTBSFFY-RWMBFGLXSA-N 2 0 265.401 1.104 10 0 CDAERP CN(CC[NH2+]C/C=C/Cl)C(=O)C1(C[NH+](C)C)CC1 ZINC001317624196 957606530 /nfs/dbraw/zinc/60/65/30/957606530.db2.gz RXSCXXACKDSFCA-QPJJXVBHSA-N 2 0 273.808 1.129 10 0 CDAERP CC[C@@H](F)C[NH2+]C1CC(N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001426243833 957859081 /nfs/dbraw/zinc/85/90/81/957859081.db2.gz GWFBDQXZKCBPBD-IYXRBSQSSA-N 2 0 287.423 1.654 10 0 CDAERP CCCCC[NH+]1CC(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001318150579 957947007 /nfs/dbraw/zinc/94/70/07/957947007.db2.gz PPLDWBOFKJUPBR-OAHLLOKOSA-N 2 0 283.460 1.811 10 0 CDAERP CO[C@@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001318445226 958104691 /nfs/dbraw/zinc/10/46/91/958104691.db2.gz KMHRYIVEXKMHMV-GJZGRUSLSA-N 2 0 299.459 1.286 10 0 CDAERP CN(CC[N@H+](C)CC1CCCCC1)C(=O)CC[NH+](C)C ZINC001367534886 958112150 /nfs/dbraw/zinc/11/21/50/958112150.db2.gz MXKJZIODMDRJCV-UHFFFAOYSA-N 2 0 283.460 1.909 10 0 CDAERP COCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001494848401 972323042 /nfs/dbraw/zinc/32/30/42/972323042.db2.gz RPSOHBCYXWGDMV-LSDHHAIUSA-N 2 0 299.459 1.142 10 0 CDAERP CC(C)OCC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001494869754 972326445 /nfs/dbraw/zinc/32/64/45/972326445.db2.gz WECKENMLHGZUSL-OAHLLOKOSA-N 2 0 297.443 1.040 10 0 CDAERP C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)n1ccnc1 ZINC001318688533 958228098 /nfs/dbraw/zinc/22/80/98/958228098.db2.gz JXOPYVHGIVEEPA-AGIUHOORSA-N 2 0 264.373 1.385 10 0 CDAERP C[C@H](C[NH2+]Cc1ccns1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001367707168 958236602 /nfs/dbraw/zinc/23/66/02/958236602.db2.gz QAFZKMBMTFVMEN-VXGBXAGGSA-N 2 0 296.440 1.079 10 0 CDAERP CC[C@H](C(=O)NCC1=CC[N@H+](CC2CC2)CC1)[NH+](C)C ZINC001333363475 958281200 /nfs/dbraw/zinc/28/12/00/958281200.db2.gz CLHHNUKFHXOMAJ-OAHLLOKOSA-N 2 0 279.428 1.485 10 0 CDAERP CC(C)CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001367810785 958387257 /nfs/dbraw/zinc/38/72/57/958387257.db2.gz ZDIIZHOYJDHVMN-HOCLYGCPSA-N 2 0 295.471 1.811 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1([NH2+]CC2CCC2)CC1 ZINC001368001353 958567940 /nfs/dbraw/zinc/56/79/40/958567940.db2.gz AMJAFXBQUHCLNY-OAHLLOKOSA-N 2 0 293.455 1.899 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1([NH2+]CC2CCC2)CC1 ZINC001368001343 958569238 /nfs/dbraw/zinc/56/92/38/958569238.db2.gz AMJAFXBQUHCLNY-HNNXBMFYSA-N 2 0 293.455 1.899 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@H](C)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001319490305 958589222 /nfs/dbraw/zinc/58/92/22/958589222.db2.gz BXTMBSPZCHGNDP-KBPBESRZSA-N 2 0 299.434 1.799 10 0 CDAERP CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1(C[NH+](C)C)CC1 ZINC001368389234 958803808 /nfs/dbraw/zinc/80/38/08/958803808.db2.gz BLDKPLHPZLMZPK-KGLIPLIRSA-N 2 0 279.428 1.413 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](CC)[NH2+]CC)C1 ZINC001495043350 972385794 /nfs/dbraw/zinc/38/57/94/972385794.db2.gz XWBJZACVKISTLX-ZIAGYGMSSA-N 2 0 269.433 1.613 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001368499159 958904357 /nfs/dbraw/zinc/90/43/57/958904357.db2.gz QHTFFKYQQXDMEK-YIYPIFLZSA-N 2 0 285.407 1.313 10 0 CDAERP C[C@H]1C[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CC1CCC1 ZINC001368695698 959049703 /nfs/dbraw/zinc/04/97/03/959049703.db2.gz PYBDLGMVGPXVIF-ZFWWWQNUSA-N 2 0 281.444 1.707 10 0 CDAERP O[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CC[NH2+]C23CCCC3)C1 ZINC001334389472 959077333 /nfs/dbraw/zinc/07/73/33/959077333.db2.gz HMRHMLJWFVXBOK-MGPQQGTHSA-N 2 0 252.402 1.802 10 0 CDAERP C[N@H+](CCCF)C[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001368823156 959156112 /nfs/dbraw/zinc/15/61/12/959156112.db2.gz SNSZWJLALOJAMC-HNNXBMFYSA-N 2 0 299.434 1.755 10 0 CDAERP CCC[NH2+]CCN(CC)C(=O)CC1CC[NH+](C)CC1 ZINC001320863325 959431469 /nfs/dbraw/zinc/43/14/69/959431469.db2.gz QHKHWKUPIZYOPP-UHFFFAOYSA-N 2 0 269.433 1.566 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001369201303 959528813 /nfs/dbraw/zinc/52/88/13/959528813.db2.gz HRGAYXCXISXCCV-BMFZPTHFSA-N 2 0 295.471 1.809 10 0 CDAERP C[NH+]1CCC(CC[NH2+][C@H]2CN3C[C@@H]2CCC3)CC1 ZINC001335213552 959640423 /nfs/dbraw/zinc/64/04/23/959640423.db2.gz XAQYNPHQOMRNBD-GJZGRUSLSA-N 2 0 251.418 1.402 10 0 CDAERP O=C(NC/C=C/C[NH2+]CC1CC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001321285289 959695626 /nfs/dbraw/zinc/69/56/26/959695626.db2.gz KNAGOUMUAUJEKG-POHSLCEDSA-N 2 0 291.439 1.675 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC/C=C\C[NH2+]CC1CCC1 ZINC001321418329 959776324 /nfs/dbraw/zinc/77/63/24/959776324.db2.gz BSDJTJWXVFYMCW-PLNGDYQASA-N 2 0 267.417 1.389 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CC[NH+](CCCF)C1 ZINC001369987275 959945517 /nfs/dbraw/zinc/94/55/17/959945517.db2.gz QGCMMZCXWAZPJS-KGLIPLIRSA-N 2 0 285.407 1.411 10 0 CDAERP CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001495387748 972484607 /nfs/dbraw/zinc/48/46/07/972484607.db2.gz OKBLDKIOXHWTEC-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCOC)[C@@H]1C)[NH+](CC)CC ZINC001418813611 961052382 /nfs/dbraw/zinc/05/23/82/961052382.db2.gz ZWEBYTLCCUATOS-ILXRZTDVSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)C[NH+]1CC(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001419041435 961294433 /nfs/dbraw/zinc/29/44/33/961294433.db2.gz CLFKVOSORSSXCN-ZIAGYGMSSA-N 2 0 281.444 1.563 10 0 CDAERP CC[NH+](CC)CC[C@H](C)NC(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001434423237 961352607 /nfs/dbraw/zinc/35/26/07/961352607.db2.gz KITYBXCQROTPAE-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001419477414 961749328 /nfs/dbraw/zinc/74/93/28/961749328.db2.gz ZGZDAQNEPPTIMW-BEKHHXDESA-N 2 0 299.846 1.850 10 0 CDAERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C[NH2+]CC1CC1 ZINC001419507034 961772862 /nfs/dbraw/zinc/77/28/62/961772862.db2.gz PCJRKEWLVHLSRZ-ZDUSSCGKSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@@H]([NH2+]CCF)[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001419832121 962140365 /nfs/dbraw/zinc/14/03/65/962140365.db2.gz OZYVHCKIPFJJNN-ZIAGYGMSSA-N 2 0 297.418 1.268 10 0 CDAERP CC(C)[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC1CC1 ZINC001419889387 962205124 /nfs/dbraw/zinc/20/51/24/962205124.db2.gz NHMSMWUXUVWMKS-CABCVRRESA-N 2 0 281.444 1.611 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001419974077 962319345 /nfs/dbraw/zinc/31/93/45/962319345.db2.gz WGMWCPSRBKYGAK-UONOGXRCSA-N 2 0 287.423 1.609 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH+](C)Cc1ccsc1 ZINC001420064979 962428600 /nfs/dbraw/zinc/42/86/00/962428600.db2.gz ZTBRXGAKBADCJL-UHFFFAOYSA-N 2 0 297.468 1.979 10 0 CDAERP C[N@H+](CCF)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001436841026 962453077 /nfs/dbraw/zinc/45/30/77/962453077.db2.gz MBJBUZIBTQLTLJ-CABCVRRESA-N 2 0 299.434 1.611 10 0 CDAERP Cc1ncc(C[NH2+][C@H]2C[C@H](NC(=O)CCC[NH+](C)C)C2)o1 ZINC001436905554 962490749 /nfs/dbraw/zinc/49/07/49/962490749.db2.gz KIYXNNPPVRPWMD-JOCQHMNTSA-N 2 0 294.399 1.062 10 0 CDAERP CC(C)[C@H](C(=O)NCC[C@@H](C)[NH2+]CCF)[NH+]1CCCC1 ZINC001420164857 962515254 /nfs/dbraw/zinc/51/52/54/962515254.db2.gz LCPCAEOPHUYSMS-ZIAGYGMSSA-N 2 0 287.423 1.561 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001437053770 962580169 /nfs/dbraw/zinc/58/01/69/962580169.db2.gz XODCITOGTORLCI-OAHLLOKOSA-N 2 0 293.455 1.709 10 0 CDAERP Cc1ncoc1C[NH2+][C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001437147071 962677682 /nfs/dbraw/zinc/67/76/82/962677682.db2.gz OIDSFUIHRAOEOX-LLVKDONJSA-N 2 0 294.399 1.062 10 0 CDAERP CCC(CC)C[NH2+][C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001437237367 962758804 /nfs/dbraw/zinc/75/88/04/962758804.db2.gz OWHGEKAZFFVLOK-CYBMUJFWSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccccc1F ZINC001437257736 962770603 /nfs/dbraw/zinc/77/06/03/962770603.db2.gz FIAILESIGGJEHE-ZDUSSCGKSA-N 2 0 293.386 1.516 10 0 CDAERP CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]CCF)[NH+]1CCCC1 ZINC001437262873 962774278 /nfs/dbraw/zinc/77/42/78/962774278.db2.gz GWFCWKYQOUYVOF-OLZOCXBDSA-N 2 0 273.396 1.171 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)NC[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001420413512 962879599 /nfs/dbraw/zinc/87/95/99/962879599.db2.gz KEUVQSIASQYPCT-INIZCTEOSA-N 2 0 293.455 1.565 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001437724892 963143711 /nfs/dbraw/zinc/14/37/11/963143711.db2.gz SIAVGPAYVAZNGB-LSDHHAIUSA-N 2 0 283.460 1.812 10 0 CDAERP CCC[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)CC(C)C ZINC001437766826 963170481 /nfs/dbraw/zinc/17/04/81/963170481.db2.gz SMVLDUPHUHLBEP-HNNXBMFYSA-N 2 0 283.460 1.812 10 0 CDAERP CC(C)[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)C1CC1 ZINC001437805712 963190294 /nfs/dbraw/zinc/19/02/94/963190294.db2.gz DRBMOZXCDZZICQ-ZBFHGGJFSA-N 2 0 293.455 1.992 10 0 CDAERP CC[C@@H](C)C[NH+]1CC(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001438128053 963336069 /nfs/dbraw/zinc/33/60/69/963336069.db2.gz KTNKKPQJBQIPLF-GDBMZVCRSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001420948341 963378304 /nfs/dbraw/zinc/37/83/04/963378304.db2.gz KBSDQPJRVPHKAS-GJZGRUSLSA-N 2 0 281.444 1.374 10 0 CDAERP CC(C)[NH+](C)CC(=O)N(C)[C@H]1CC[N@@H+](CC[C@@H](C)F)C1 ZINC001438253247 963383740 /nfs/dbraw/zinc/38/37/40/963383740.db2.gz IRLBNHKLXPMWCR-KGLIPLIRSA-N 2 0 287.423 1.607 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+]Cc1ccsc1 ZINC001438522288 963475894 /nfs/dbraw/zinc/47/58/94/963475894.db2.gz QQMODOBKRLNTHT-GFCCVEGCSA-N 2 0 283.441 1.542 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001438588390 963492115 /nfs/dbraw/zinc/49/21/15/963492115.db2.gz OPZYEYLQKWSCFE-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP CCOCC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001569375222 1169825042 /nfs/dbraw/zinc/82/50/42/1169825042.db2.gz UMEVMBXYKDYAGL-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001438931656 963604341 /nfs/dbraw/zinc/60/43/41/963604341.db2.gz HWNXTOTWILNUDK-HUUCEWRRSA-N 2 0 283.460 1.907 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]CC1CC(C)(C)C1 ZINC001439181702 963665744 /nfs/dbraw/zinc/66/57/44/963665744.db2.gz HWKLVDMVXGEKSZ-CYBMUJFWSA-N 2 0 283.460 1.857 10 0 CDAERP C[C@H](C[N@H+](C)CC1CCC1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001439322608 963722557 /nfs/dbraw/zinc/72/25/57/963722557.db2.gz FFKYVZARQTWSES-CZUORRHYSA-N 2 0 293.455 1.565 10 0 CDAERP C[C@H](C[N@@H+](C)CC[C@H](C)F)NC(=O)C1CC[NH+](C)CC1 ZINC001439364717 963739375 /nfs/dbraw/zinc/73/93/75/963739375.db2.gz OBQNUARXJSUHPL-QWHCGFSZSA-N 2 0 287.423 1.513 10 0 CDAERP COCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001439378517 963745425 /nfs/dbraw/zinc/74/54/25/963745425.db2.gz KEDQYMRPUVLKFE-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CC[NH+]2CC2CCC2)C1 ZINC001439568654 963803457 /nfs/dbraw/zinc/80/34/57/963803457.db2.gz FHZLKASJLDNBBW-LSDHHAIUSA-N 2 0 279.428 1.319 10 0 CDAERP CC(C)[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001439816553 963867291 /nfs/dbraw/zinc/86/72/91/963867291.db2.gz RVTTZBAXOLEJGM-HUUCEWRRSA-N 2 0 281.444 1.611 10 0 CDAERP CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001439898669 963890357 /nfs/dbraw/zinc/89/03/57/963890357.db2.gz HTVACASYDYYTBP-IUODEOHRSA-N 2 0 278.400 1.436 10 0 CDAERP C[NH+](C)CCCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CC1 ZINC001440188731 963942123 /nfs/dbraw/zinc/94/21/23/963942123.db2.gz IAAPQCCIKDSRPI-HZPDHXFCSA-N 2 0 293.455 1.804 10 0 CDAERP C[NH+](C)CCCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CC1 ZINC001440188741 963942871 /nfs/dbraw/zinc/94/28/71/963942871.db2.gz IAAPQCCIKDSRPI-JKSUJKDBSA-N 2 0 293.455 1.804 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001440349651 963995066 /nfs/dbraw/zinc/99/50/66/963995066.db2.gz HUTYGJXCJHHODA-UMVBOHGHSA-N 2 0 299.434 1.561 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@@]2(CC[NH+](CCF)C2)C1 ZINC001440539423 964104129 /nfs/dbraw/zinc/10/41/29/964104129.db2.gz QCORSMDTPOYVKT-INIZCTEOSA-N 2 0 299.434 1.612 10 0 CDAERP CC(C)C[NH2+]C1(C)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001440604269 964117484 /nfs/dbraw/zinc/11/74/84/964117484.db2.gz ICKQWSXENHVKJS-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001440833694 964203422 /nfs/dbraw/zinc/20/34/22/964203422.db2.gz UCDJPIDGIYPRFA-UONOGXRCSA-N 2 0 283.460 2.000 10 0 CDAERP CC(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001441314831 964458839 /nfs/dbraw/zinc/45/88/39/964458839.db2.gz GJMHUUFYXOKKOD-PHZGNYQRSA-N 2 0 293.455 1.422 10 0 CDAERP Cc1nocc1C[NH2+][C@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001441658191 964642017 /nfs/dbraw/zinc/64/20/17/964642017.db2.gz NFNMQMQVSHTZDE-GFCCVEGCSA-N 2 0 294.399 1.015 10 0 CDAERP CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]21 ZINC001441871320 964758360 /nfs/dbraw/zinc/75/83/60/964758360.db2.gz MNMVELOAYTZWMB-RBSFLKMASA-N 2 0 281.444 1.565 10 0 CDAERP C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC1CCCC1 ZINC001442334324 964989453 /nfs/dbraw/zinc/98/94/53/964989453.db2.gz BMFPZOSFUINMGQ-HIFRSBDPSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)CCC[N@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001442574293 965121649 /nfs/dbraw/zinc/12/16/49/965121649.db2.gz MHVDPYTXCIGSPQ-OAHLLOKOSA-N 2 0 283.460 1.812 10 0 CDAERP C[C@H]([NH2+]CCF)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001443116607 965360983 /nfs/dbraw/zinc/36/09/83/965360983.db2.gz ZNNYCIRFIGJWCI-GZBFAFLISA-N 2 0 299.434 1.513 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001443238343 965409969 /nfs/dbraw/zinc/40/99/69/965409969.db2.gz QBQIPBBRAJFPER-HUUCEWRRSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CCF ZINC001443933912 965673884 /nfs/dbraw/zinc/67/38/84/965673884.db2.gz MXHPYQNOVDZJGW-UKRRQHHQSA-N 2 0 299.434 1.847 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001444378296 965812171 /nfs/dbraw/zinc/81/21/71/965812171.db2.gz HSPZEGBKDRKVCC-KBPBESRZSA-N 2 0 283.460 1.716 10 0 CDAERP OCCC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCC[NH2+]C1 ZINC001348563974 966061434 /nfs/dbraw/zinc/06/14/34/966061434.db2.gz VDUMQTXLJQCDKE-NUDNTCICSA-N 2 0 252.402 1.611 10 0 CDAERP C[C@H](C[NH2+]Cc1cncs1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001445474901 966205111 /nfs/dbraw/zinc/20/51/11/966205111.db2.gz LFDQDXVSWURABD-VXGBXAGGSA-N 2 0 296.440 1.079 10 0 CDAERP CC(C)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001445719471 966305108 /nfs/dbraw/zinc/30/51/08/966305108.db2.gz QLWBCLBFRYKFRC-LSDHHAIUSA-N 2 0 283.460 1.952 10 0 CDAERP CC(C)CC[N@H+](C)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001448049269 966977626 /nfs/dbraw/zinc/97/76/26/966977626.db2.gz YQFZROLVPYIQMG-CQSZACIVSA-N 2 0 283.460 1.953 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCCC[NH+]2CCCC2)C1 ZINC001539096528 967081886 /nfs/dbraw/zinc/08/18/86/967081886.db2.gz GBSGLKHNOCWOFL-HUUCEWRRSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H]1[C@H]([NH2+]Cc2cccnc2)CCN1C(=O)CC[NH+](C)C ZINC001448984426 967324274 /nfs/dbraw/zinc/32/42/74/967324274.db2.gz ONZCXGHAOXJJKQ-DZGCQCFKSA-N 2 0 290.411 1.112 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CC(C)C)C(C)(C)C1 ZINC001449082359 967356609 /nfs/dbraw/zinc/35/66/09/967356609.db2.gz DIDMJBNNDNSURC-AWEZNQCLSA-N 2 0 283.460 1.811 10 0 CDAERP CC[NH2+]C[C@@H](O)CN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001449124173 967368898 /nfs/dbraw/zinc/36/88/98/967368898.db2.gz CTKZQZFPBAZMQU-CQSZACIVSA-N 2 0 299.459 1.068 10 0 CDAERP C[NH+](C)C1(C(=O)NCCCC[N@@H+](C)C2CC2)CCCC1 ZINC001451000872 967871167 /nfs/dbraw/zinc/87/11/67/967871167.db2.gz GDODBKAYTAKYLO-UHFFFAOYSA-N 2 0 281.444 1.851 10 0 CDAERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC2=NOCC2)C1 ZINC001459628733 969441630 /nfs/dbraw/zinc/44/16/30/969441630.db2.gz OYRMYFGAVRWYRI-CQSZACIVSA-N 2 0 269.389 1.195 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC[NH+]2CC=CC2)C1 ZINC001465329996 969866014 /nfs/dbraw/zinc/86/60/14/969866014.db2.gz BNKVINWIKMGCMR-KGLIPLIRSA-N 2 0 265.401 1.095 10 0 CDAERP CC[N@@H+]1CC[C@H]1C(=O)N1CCC(C(C)(C)C[NH+](C)C)CC1 ZINC001468186676 970132234 /nfs/dbraw/zinc/13/22/34/970132234.db2.gz WBDZBJHQEDWUHE-HNNXBMFYSA-N 2 0 295.471 1.907 10 0 CDAERP C[NH+](C)C1(C(=O)NC2CC[NH+](C3CC3)CC2)CCCC1 ZINC001361613410 970342432 /nfs/dbraw/zinc/34/24/32/970342432.db2.gz UQGJLCVXEHZUJB-UHFFFAOYSA-N 2 0 279.428 1.604 10 0 CDAERP C[C@@H](CNC(=O)CC[N@@H+]1CC[C@@H](F)C1)[NH+]1CCCC[C@H]1C ZINC001361652959 970384491 /nfs/dbraw/zinc/38/44/91/970384491.db2.gz YLVREFGNHJHEMJ-QLFBSQMISA-N 2 0 299.434 1.799 10 0 CDAERP CCc1nc(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)c[nH]1 ZINC001472019235 970537818 /nfs/dbraw/zinc/53/78/18/970537818.db2.gz VWILDACQBBGGDQ-GHMZBOCLSA-N 2 0 264.373 1.461 10 0 CDAERP C[C@H](CNC(=O)CC[N@@H+]1CC[C@@H](F)C1)C[NH+]1CCCCC1 ZINC001361839798 970590649 /nfs/dbraw/zinc/59/06/49/970590649.db2.gz OREKQYGPPJNMDW-HUUCEWRRSA-N 2 0 299.434 1.659 10 0 CDAERP CC[C@H](C(=O)N[C@@]1(C)CC[N@H+](CCCCOC)C1)[NH+](C)C ZINC001569641911 1169947903 /nfs/dbraw/zinc/94/79/03/1169947903.db2.gz WHBITBBBOYLVBS-ZBFHGGJFSA-N 2 0 299.459 1.334 10 0 CDAERP CO[C@H](C)C[NH2+][C@H](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001371803563 972642253 /nfs/dbraw/zinc/64/22/53/972642253.db2.gz AHUXBOUILFSXBQ-ZIAGYGMSSA-N 2 0 299.459 1.380 10 0 CDAERP C[C@H](CCNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]C/C=C\Cl ZINC001371866971 972662271 /nfs/dbraw/zinc/66/22/71/972662271.db2.gz IMZFTZDFFRVYHX-WKSPHBBESA-N 2 0 287.835 1.565 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001496078120 972788240 /nfs/dbraw/zinc/78/82/40/972788240.db2.gz GVZPLCRJIJQFAU-AWEZNQCLSA-N 2 0 283.460 1.953 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CC1CC2(CCC2)C1 ZINC001372221457 972853923 /nfs/dbraw/zinc/85/39/23/972853923.db2.gz QKRZWZPBNNFXJM-HNNXBMFYSA-N 2 0 293.455 1.566 10 0 CDAERP CC[N@H+](CCNC(=O)CC[NH+](C)C)Cc1cnccc1C ZINC001372405502 972945248 /nfs/dbraw/zinc/94/52/48/972945248.db2.gz CXNCWALAOYFVHW-UHFFFAOYSA-N 2 0 292.427 1.280 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+](Cc2cncs2)C1 ZINC001372654201 973066220 /nfs/dbraw/zinc/06/62/20/973066220.db2.gz RCLRQIVFQSDHOO-LBPRGKRZSA-N 2 0 296.440 1.033 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001372674244 973075655 /nfs/dbraw/zinc/07/56/55/973075655.db2.gz SYDKOFLCENBHPB-HNNXBMFYSA-N 2 0 279.428 1.320 10 0 CDAERP C[C@@H](CNC(=O)C1([NH+](C)C)CCCC1)C[NH+]1CCCC1 ZINC001417614789 973199284 /nfs/dbraw/zinc/19/92/84/973199284.db2.gz ORQAMTAZFYVPOE-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001497466113 973359788 /nfs/dbraw/zinc/35/97/88/973359788.db2.gz QEDRPAJKVSVROU-GJZGRUSLSA-N 2 0 281.444 1.851 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CC1CC1 ZINC001497762357 973489967 /nfs/dbraw/zinc/48/99/67/973489967.db2.gz HCLHUANANLTYRK-XVWMLYKFSA-N 2 0 279.428 1.533 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]C/C=C/Cl)C1CC1 ZINC001417987209 973515749 /nfs/dbraw/zinc/51/57/49/973515749.db2.gz XDBRUNGRDJGQMB-CCRJBVLDSA-N 2 0 299.846 1.708 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]CCCF)CC[N@@H+]1C ZINC001497817231 973533095 /nfs/dbraw/zinc/53/30/95/973533095.db2.gz ASGZTXQIWNZLFR-FRRDWIJNSA-N 2 0 273.396 1.171 10 0 CDAERP C[C@H](C[NH2+]CC1CC1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001497831774 973540924 /nfs/dbraw/zinc/54/09/24/973540924.db2.gz VCOMWXBIAZYTMY-OCCSQVGLSA-N 2 0 267.417 1.365 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC[C@@H](C)F)C1 ZINC001418045754 973546731 /nfs/dbraw/zinc/54/67/31/973546731.db2.gz LSVVMDIUWKVCFA-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001373681968 973565343 /nfs/dbraw/zinc/56/53/43/973565343.db2.gz WGSNYBZRJLKIHL-ZIAGYGMSSA-N 2 0 287.423 1.609 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nccs2)C1)[NH+](C)C ZINC001418107770 973588349 /nfs/dbraw/zinc/58/83/49/973588349.db2.gz DJBKLEKPQRBLBE-TUAOUCFPSA-N 2 0 296.440 1.220 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001418105774 973588485 /nfs/dbraw/zinc/58/84/85/973588485.db2.gz ZVDVYDNTECXEON-RWMBFGLXSA-N 2 0 273.396 1.313 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+]CCC(F)(F)F)C1 ZINC001418111634 973592467 /nfs/dbraw/zinc/59/24/67/973592467.db2.gz KQGUKZADHODPLY-PHIMTYICSA-N 2 0 293.333 1.271 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC1CCC1 ZINC001497992618 973602788 /nfs/dbraw/zinc/60/27/88/973602788.db2.gz HBDOSXZMYPLKRJ-HIFRSBDPSA-N 2 0 281.444 1.755 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]C(C)C ZINC001498050378 973650087 /nfs/dbraw/zinc/65/00/87/973650087.db2.gz BPMNGZUBBRQKFL-STQMWFEESA-N 2 0 255.406 1.364 10 0 CDAERP CC(C)[NH+](C)CC(=O)N[C@H](C)C[N@H+](C)C[C@H]1CCCOC1 ZINC001498455526 973923930 /nfs/dbraw/zinc/92/39/30/973923930.db2.gz JBDPHXOZNUEMPH-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP CC[N@H+](CCNC(=O)CC[NH+](C)C)Cc1cccc(F)c1 ZINC001418564006 973970703 /nfs/dbraw/zinc/97/07/03/973970703.db2.gz BPWFKSSHANXUAL-UHFFFAOYSA-N 2 0 295.402 1.716 10 0 CDAERP CC[C@@H](C(=O)N(C)CC[N@H+](C)CC1CCCC1)[NH+](C)C ZINC001374533290 974000739 /nfs/dbraw/zinc/00/07/39/974000739.db2.gz FLLTXAGTYOMBQH-HNNXBMFYSA-N 2 0 283.460 1.907 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001498873725 974090494 /nfs/dbraw/zinc/09/04/94/974090494.db2.gz JNTVGBAGQPVTLF-CABCVRRESA-N 2 0 281.444 1.611 10 0 CDAERP CC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]1[NH2+]CC1CC1 ZINC001498907386 974101829 /nfs/dbraw/zinc/10/18/29/974101829.db2.gz OOJKHZNEFIMOFV-HZPDHXFCSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@@H](C[NH2+][C@@H]1CCc2ccccc21)NC(=O)CC[NH+](C)C ZINC001374929153 974181470 /nfs/dbraw/zinc/18/14/70/974181470.db2.gz AJAYDWXHTUBNIJ-XJKSGUPXSA-N 2 0 289.423 1.720 10 0 CDAERP CCOCC[NH+]1CCC(C)(NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001500001891 974349818 /nfs/dbraw/zinc/34/98/18/974349818.db2.gz AONSEFBQXCIYBH-AWEZNQCLSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)C[NH+]1CCC(C)(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001500003361 974350277 /nfs/dbraw/zinc/35/02/77/974350277.db2.gz OANWKOOOYOKHQF-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCF)C1CCCC1 ZINC001500097351 974373942 /nfs/dbraw/zinc/37/39/42/974373942.db2.gz SZLXHRGQQWMYDD-LSDHHAIUSA-N 2 0 299.434 1.705 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001375542125 974417111 /nfs/dbraw/zinc/41/71/11/974417111.db2.gz MJSZCPCWWLTALE-XDQVBPFNSA-N 2 0 285.407 1.313 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@]1(C)CCC[NH+](CCF)C1 ZINC001500552508 974448878 /nfs/dbraw/zinc/44/88/78/974448878.db2.gz GINFZZDVUYZEBR-OAHLLOKOSA-N 2 0 287.423 1.514 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N(C)C1CN(CC(C)C)C1 ZINC001375675437 974453395 /nfs/dbraw/zinc/45/33/95/974453395.db2.gz HHBRKVHQCICGGS-AWEZNQCLSA-N 2 0 287.423 1.465 10 0 CDAERP CC[C@H](F)CN1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001376073219 974554138 /nfs/dbraw/zinc/55/41/38/974554138.db2.gz SSSNYAVXEMJVKT-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)C[NH2+][C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001376227220 974610204 /nfs/dbraw/zinc/61/02/04/974610204.db2.gz XZZISUNEGJTTHO-HOTGVXAUSA-N 2 0 293.455 1.469 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]CC1CC1)C1CC1 ZINC001376271444 974617574 /nfs/dbraw/zinc/61/75/74/974617574.db2.gz GPDREFFVXMZGDU-CVEARBPZSA-N 2 0 293.455 1.755 10 0 CDAERP CC(C)[NH2+][C@@H](CNC(=O)[C@@]12CC[N@H+](C1)CCC2)C1CC1 ZINC001376273420 974618151 /nfs/dbraw/zinc/61/81/51/974618151.db2.gz GHUSUZDXPLJAQW-HOCLYGCPSA-N 2 0 279.428 1.365 10 0 CDAERP C[C@H](F)CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001501928457 974658516 /nfs/dbraw/zinc/65/85/16/974658516.db2.gz PWOMAPQYUQFKKD-STQMWFEESA-N 2 0 285.407 1.457 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001376499020 974676016 /nfs/dbraw/zinc/67/60/16/974676016.db2.gz CDIWHQGKIDTKMW-ROUHBEFFSA-N 2 0 271.792 1.072 10 0 CDAERP C[C@@H](F)CC[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCC1 ZINC001502026067 974677371 /nfs/dbraw/zinc/67/73/71/974677371.db2.gz LSBWGJSDHOPCFH-CYBMUJFWSA-N 2 0 285.407 1.459 10 0 CDAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1cncs1 ZINC001376796933 974773217 /nfs/dbraw/zinc/77/32/17/974773217.db2.gz CSHVERNXOJAVIW-NWDGAFQWSA-N 2 0 296.440 1.079 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH2+]C/C=C/Cl)CCC2)C1 ZINC001376805981 974778312 /nfs/dbraw/zinc/77/83/12/974778312.db2.gz BEMREGGMYHZPHF-MXPWBENCSA-N 2 0 299.846 1.709 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCc1cccs1 ZINC001376875360 974799689 /nfs/dbraw/zinc/79/96/89/974799689.db2.gz GNGCESNWZNUUEV-CHWSQXEVSA-N 2 0 295.452 1.337 10 0 CDAERP CC[C@@H](F)C[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001376912806 974815277 /nfs/dbraw/zinc/81/52/77/974815277.db2.gz XHTLTBCYYWLMPO-ZIAGYGMSSA-N 2 0 287.423 1.609 10 0 CDAERP C[C@H](F)CC[NH2+][C@@H](C)CCNC(=O)C[NH+]1CCCC1 ZINC001377105360 974882898 /nfs/dbraw/zinc/88/28/98/974882898.db2.gz IASZQADLVISGHN-STQMWFEESA-N 2 0 273.396 1.315 10 0 CDAERP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@H](C)[NH2+]CC1CCC1 ZINC001505621906 974941306 /nfs/dbraw/zinc/94/13/06/974941306.db2.gz NCPZLECBHMBXAB-QWHCGFSZSA-N 2 0 281.444 1.754 10 0 CDAERP C[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)CCC(C)(C)C ZINC001377248874 974944696 /nfs/dbraw/zinc/94/46/96/974944696.db2.gz IIJPCFJMVKWCBP-CQSZACIVSA-N 2 0 283.460 1.812 10 0 CDAERP Cc1ncccc1C[NH2+][C@H](C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001505687024 974964074 /nfs/dbraw/zinc/96/40/74/974964074.db2.gz YBCYSSSYORELHB-OLZOCXBDSA-N 2 0 292.427 1.325 10 0 CDAERP COCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001506583468 975183612 /nfs/dbraw/zinc/18/36/12/975183612.db2.gz PPMSXNVVIUNYJT-OAHLLOKOSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001506901559 975252652 /nfs/dbraw/zinc/25/26/52/975252652.db2.gz FJUGBBLCXKTBID-MGPQQGTHSA-N 2 0 297.418 1.315 10 0 CDAERP CC(C)C[NH2+]CCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001506938381 975267344 /nfs/dbraw/zinc/26/73/44/975267344.db2.gz QHMQHYSSYIBGLE-LSDHHAIUSA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)[N@H+](C)CCOCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001506973837 975280513 /nfs/dbraw/zinc/28/05/13/975280513.db2.gz MOUWEKDZKXHUFR-UHFFFAOYSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CC1CCCC1 ZINC001507117104 975343455 /nfs/dbraw/zinc/34/34/55/975343455.db2.gz GOTYRTROEUJHDJ-CYBMUJFWSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@@H]1[C@@H]([NH2+]CCCF)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001507288638 975400535 /nfs/dbraw/zinc/40/05/35/975400535.db2.gz MTKRKGOIVBTVPG-HIFRSBDPSA-N 2 0 299.434 1.657 10 0 CDAERP Cc1csc(C[NH2+]C[C@H](C)CNC(=O)CC[NH+](C)C)n1 ZINC001378602350 975412009 /nfs/dbraw/zinc/41/20/09/975412009.db2.gz OXDZGJLOLPJYPC-NSHDSACASA-N 2 0 298.456 1.245 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1[N@H+](CCCF)CC2 ZINC001507347078 975427460 /nfs/dbraw/zinc/42/74/60/975427460.db2.gz GKEWPJTZRQAQSN-ZBFHGGJFSA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)CC[NH+]1CC(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001404927629 975544448 /nfs/dbraw/zinc/54/44/48/975544448.db2.gz IXZHOWBMXNAWSE-HUUCEWRRSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)C[C@@H](C[NH2+]C(C)C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001401280724 975562236 /nfs/dbraw/zinc/56/22/36/975562236.db2.gz LBIPSJYSZRXKSH-JKSUJKDBSA-N 2 0 295.471 1.857 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC[N@@H+]1CCF ZINC001388771668 975586204 /nfs/dbraw/zinc/58/62/04/975586204.db2.gz MVUKVJPLHVEDFM-SOUVJXGZSA-N 2 0 299.434 1.799 10 0 CDAERP CC[NH2+]C[C@H](C1CC1)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001379018258 975597820 /nfs/dbraw/zinc/59/78/20/975597820.db2.gz DWRWHPNDIMOWKU-LSDHHAIUSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001389768902 975978955 /nfs/dbraw/zinc/97/89/55/975978955.db2.gz BKBAADQOHQPKLN-KGLIPLIRSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1CCC1CC1 ZINC001379651147 975986624 /nfs/dbraw/zinc/98/66/24/975986624.db2.gz GLMBPWBLPLFYAF-HIFRSBDPSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001389823631 976004772 /nfs/dbraw/zinc/00/47/72/976004772.db2.gz CIBIYZIDGGCBFI-STQMWFEESA-N 2 0 273.396 1.265 10 0 CDAERP CCC[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001401957610 976039467 /nfs/dbraw/zinc/03/94/67/976039467.db2.gz STKPLDOINLXYES-UONOGXRCSA-N 2 0 279.428 1.652 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CCC[NH+](CCF)C2)C1 ZINC001390067318 976109874 /nfs/dbraw/zinc/10/98/74/976109874.db2.gz UGODPHHGZPANFG-UONOGXRCSA-N 2 0 285.407 1.126 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CCC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001390066737 976111061 /nfs/dbraw/zinc/11/10/61/976111061.db2.gz VLAIUOFFMKVDEK-LSDHHAIUSA-N 2 0 299.434 1.659 10 0 CDAERP CCC[N@H+](C)CCN(C(=O)C1CC[NH+](C)CC1)C(C)C ZINC001380030932 976199644 /nfs/dbraw/zinc/19/96/44/976199644.db2.gz PRPDTVMYALMFNI-UHFFFAOYSA-N 2 0 283.460 1.907 10 0 CDAERP C[C@H](F)CC[NH2+][C@@H](CNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001402307479 976229560 /nfs/dbraw/zinc/22/95/60/976229560.db2.gz FULVMUZTVVPOHM-JSGCOSHPSA-N 2 0 299.434 1.703 10 0 CDAERP CC(C)CC[NH2+]C1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001380176459 976277812 /nfs/dbraw/zinc/27/78/12/976277812.db2.gz LUKCRGBPPSQICZ-UHFFFAOYSA-N 2 0 293.455 1.707 10 0 CDAERP Cc1cccc(C[NH2+][C@H](C)CNC(=O)CC[NH+](C)C)c1 ZINC001399051129 976311733 /nfs/dbraw/zinc/31/17/33/976311733.db2.gz YQJRAVGYJJWTCZ-CQSZACIVSA-N 2 0 277.412 1.541 10 0 CDAERP CO[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001402497121 976314830 /nfs/dbraw/zinc/31/48/30/976314830.db2.gz VJTXWLYFMQODPT-KBUPBQIOSA-N 2 0 297.443 1.133 10 0 CDAERP Cc1cccc(C[NH2+][C@H](C)CNC(=O)C[NH+]2CCCC2)c1 ZINC001399116408 976347598 /nfs/dbraw/zinc/34/75/98/976347598.db2.gz OBNGTVNRTDSOPJ-OAHLLOKOSA-N 2 0 289.423 1.685 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC2CC2)CC1 ZINC001402624070 976404470 /nfs/dbraw/zinc/40/44/70/976404470.db2.gz YLAOXUVXJQYSDV-OAHLLOKOSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccsc1 ZINC001390649463 976414650 /nfs/dbraw/zinc/41/46/50/976414650.db2.gz VNUWCTUXJNGYRR-JSGCOSHPSA-N 2 0 295.452 1.827 10 0 CDAERP C[C@@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC1CCC1 ZINC001390671832 976431022 /nfs/dbraw/zinc/43/10/22/976431022.db2.gz NJVPAIBCGLORPY-DZGCQCFKSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001402702582 976447298 /nfs/dbraw/zinc/44/72/98/976447298.db2.gz SLWQXHPLLBNGAD-OWCLPIDISA-N 2 0 295.471 1.811 10 0 CDAERP C[C@H](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CCC1CC1 ZINC001390717272 976450027 /nfs/dbraw/zinc/45/00/27/976450027.db2.gz VWPQSSWSRAMKMF-HIFRSBDPSA-N 2 0 281.444 1.613 10 0 CDAERP CCC(CC)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001390719637 976452473 /nfs/dbraw/zinc/45/24/73/976452473.db2.gz OXYUVFOSLVAPIQ-UKRRQHHQSA-N 2 0 283.460 1.859 10 0 CDAERP Cc1nocc1C[NH2+][C@H](C)CCNC(=O)C[N@H+](C)C(C)C ZINC001399435402 976484672 /nfs/dbraw/zinc/48/46/72/976484672.db2.gz SDHNDVFMPMLREP-GFCCVEGCSA-N 2 0 296.415 1.308 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC([C@H]2CC[N@H+](CCF)C2)CC1 ZINC001406999406 976508135 /nfs/dbraw/zinc/50/81/35/976508135.db2.gz CGSDFWGQLMWNIE-HNNXBMFYSA-N 2 0 299.434 1.468 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1oc(C)nc1C)[NH+](C)C ZINC001402924073 976591855 /nfs/dbraw/zinc/59/18/55/976591855.db2.gz SEAJUHKQSRDCFU-ZWNOBZJWSA-N 2 0 296.415 1.226 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCC[NH+]2CC2CC2)C1 ZINC001399883714 976713466 /nfs/dbraw/zinc/71/34/66/976713466.db2.gz YDPKIEUZYLCIPF-UKRRQHHQSA-N 2 0 279.428 1.319 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]C/C=C\Cl)C1 ZINC001403165927 976775165 /nfs/dbraw/zinc/77/51/65/976775165.db2.gz ACHKSRYWURQZHV-WREBYIDWSA-N 2 0 299.846 1.804 10 0 CDAERP C[C@H](NC(=O)C12CCC[NH+]1CCC2)[C@H](C)[NH2+]C/C=C\Cl ZINC001381390990 976800326 /nfs/dbraw/zinc/80/03/26/976800326.db2.gz CPEMMLXLAWSESL-AAMHTLBISA-N 2 0 299.846 1.850 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001403231451 976826530 /nfs/dbraw/zinc/82/65/30/976826530.db2.gz YTMUZLJTXDQLRK-RBSFLKMASA-N 2 0 281.444 1.421 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC[C@@H](C)F ZINC001400109133 976857125 /nfs/dbraw/zinc/85/71/25/976857125.db2.gz AFQKXPYVSCEHBI-KFWWJZLASA-N 2 0 299.434 1.752 10 0 CDAERP CC(C)C[NH+]1CC([C@@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001403320840 976880526 /nfs/dbraw/zinc/88/05/26/976880526.db2.gz JTFWJNLRCIMILO-ZBFHGGJFSA-N 2 0 295.471 1.953 10 0 CDAERP C[NH+](C)CC1(C(=O)N2CCC(C)([NH2+]CC3CC3)CC2)CC1 ZINC001408112813 976921707 /nfs/dbraw/zinc/92/17/07/976921707.db2.gz GKEPOYOYUHPGRG-UHFFFAOYSA-N 2 0 293.455 1.709 10 0 CDAERP CCCC[N@@H+]1CCCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001403412479 976940110 /nfs/dbraw/zinc/94/01/10/976940110.db2.gz OZTDCIWPGVIEME-UHFFFAOYSA-N 2 0 281.444 1.663 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1CCC[N@H+](CCC[C@@H](C)O)C1)[NH+](C)C ZINC001400278582 976962134 /nfs/dbraw/zinc/96/21/34/976962134.db2.gz BRZSPMXUZQJYAY-RBSFLKMASA-N 2 0 299.459 1.068 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C[NH2+]C(C)C)C2CC2)CC[N@@H+]1C ZINC001403505062 977001607 /nfs/dbraw/zinc/00/16/07/977001607.db2.gz VHCKNKMNYHXRQB-XHSDSOJGSA-N 2 0 295.471 1.952 10 0 CDAERP CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001381868371 977061731 /nfs/dbraw/zinc/06/17/31/977061731.db2.gz FMJUWFOWCNFEQM-UONOGXRCSA-N 2 0 299.459 1.190 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N[C@@](C)(C[NH2+]CC2CC2)C2CC2)C1 ZINC001391799403 977101663 /nfs/dbraw/zinc/10/16/63/977101663.db2.gz REOHERMFTFXENH-BBRMVZONSA-N 2 0 279.428 1.223 10 0 CDAERP CC[C@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)C(C)C)OC ZINC001400587681 977102251 /nfs/dbraw/zinc/10/22/51/977102251.db2.gz GAOMTYZBDUPZBQ-SOUVJXGZSA-N 2 0 297.443 1.037 10 0 CDAERP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H](C[NH2+]CC1CC1)C1CC1 ZINC001382022203 977125131 /nfs/dbraw/zinc/12/51/31/977125131.db2.gz WNWCWQSCNJQLOM-HOTGVXAUSA-N 2 0 293.455 1.707 10 0 CDAERP C[NH+](CC(=O)NCC[N@@H+](C)C[C@@H]1CCOC1)CC(C)(C)C ZINC001403686281 977141968 /nfs/dbraw/zinc/14/19/68/977141968.db2.gz NCCOMXPRBGYXSD-AWEZNQCLSA-N 2 0 299.459 1.049 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]C/C=C\Cl ZINC001400803449 977197563 /nfs/dbraw/zinc/19/75/63/977197563.db2.gz LAMRMFOOHMRLSO-UZBOCLDFSA-N 2 0 299.846 1.565 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CCF)[NH+]1CCCC1 ZINC001382170723 977199888 /nfs/dbraw/zinc/19/98/88/977199888.db2.gz ZDPCFYYLWAAXNE-KBPBESRZSA-N 2 0 287.423 1.513 10 0 CDAERP CC(C)[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001403861220 977233358 /nfs/dbraw/zinc/23/33/58/977233358.db2.gz BEBYZKRFDRSWCE-HUUCEWRRSA-N 2 0 299.459 1.068 10 0 CDAERP CC(C)C[C@@H](C[NH2+]CC1CC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001392151605 977236869 /nfs/dbraw/zinc/23/68/69/977236869.db2.gz SCSVGENDIUAQKJ-GJZGRUSLSA-N 2 0 281.444 1.611 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCF)C(C)C ZINC001392216207 977266127 /nfs/dbraw/zinc/26/61/27/977266127.db2.gz IHZKEBZPBDQNJO-KBPBESRZSA-N 2 0 287.423 1.561 10 0 CDAERP CC(C)[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CCF ZINC001392230135 977273906 /nfs/dbraw/zinc/27/39/06/977273906.db2.gz WHQWFXNJOFIHOX-CYBMUJFWSA-N 2 0 287.423 1.561 10 0 CDAERP C[C@H]([NH2+]CCN(C)C(=O)C[NH+]1CCCC1)c1ccccc1 ZINC001404329441 977413578 /nfs/dbraw/zinc/41/35/78/977413578.db2.gz OWXXTGLZEIZPFL-HNNXBMFYSA-N 2 0 289.423 1.891 10 0 CDAERP Cc1ccccc1C[NH2+]C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001392613124 977504768 /nfs/dbraw/zinc/50/47/68/977504768.db2.gz JMEJIUQWKAURNS-HNNXBMFYSA-N 2 0 289.423 1.685 10 0 CDAERP CC[C@@H](F)C[N@H+](C)[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001394100049 978064526 /nfs/dbraw/zinc/06/45/26/978064526.db2.gz FFULPXLPDAQVPL-GXTWGEPZSA-N 2 0 287.423 1.513 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCC2)C1 ZINC001394702831 978234421 /nfs/dbraw/zinc/23/44/21/978234421.db2.gz BOJYTZPFOPCODO-GJZGRUSLSA-N 2 0 281.444 1.613 10 0 CDAERP CC/C=C/CC[N@H+](C)[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001675030295 1174062690 /nfs/dbraw/zinc/06/26/90/1174062690.db2.gz GVHRIQRKLJOULV-NFAHFFEMSA-N 2 0 293.455 1.875 10 0 CDAERP CC(C)[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001675920825 1174164642 /nfs/dbraw/zinc/16/46/42/1174164642.db2.gz SCCJYHHTOVYWEV-KBPBESRZSA-N 2 0 269.433 1.754 10 0 CDAERP CCC[NH2+]CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001675973727 1174170470 /nfs/dbraw/zinc/17/04/70/1174170470.db2.gz MZXPSHXERQUMBR-KBPBESRZSA-N 2 0 269.433 1.613 10 0 CDAERP CCOCC[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001676879134 1174285721 /nfs/dbraw/zinc/28/57/21/1174285721.db2.gz KYXIPKIQSOXJBA-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000618560762 349484998 /nfs/dbraw/zinc/48/49/98/349484998.db2.gz NDPKIKHMINKLDO-AWEZNQCLSA-N 2 0 294.443 1.350 10 0 CDAERP COCCOc1ccc(C[NH2+]CCC2(C[NH3+])CC2)cc1 ZINC000650712525 398155912 /nfs/dbraw/zinc/15/59/12/398155912.db2.gz IBHBROYKRCUQMU-UHFFFAOYSA-N 2 0 278.396 1.930 10 0 CDAERP CC(C)C[N@H+](C)CCCN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000650740238 398170889 /nfs/dbraw/zinc/17/08/89/398170889.db2.gz JJGGLZOQDRXXMB-RBSFLKMASA-N 2 0 271.449 1.306 10 0 CDAERP CC1(C)NC(=O)CC[C@H]1[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650755432 398180196 /nfs/dbraw/zinc/18/01/96/398180196.db2.gz FCPVROPREMMKJA-CYBMUJFWSA-N 2 0 279.359 1.431 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000624948844 342023497 /nfs/dbraw/zinc/02/34/97/342023497.db2.gz PESNVTFWLJEEMY-MCIONIFRSA-N 2 0 280.416 1.007 10 0 CDAERP C[C@@H](CC[NH+](C)C)[NH2+]C[C@@H](O)COCc1ccco1 ZINC000049557481 342056447 /nfs/dbraw/zinc/05/64/47/342056447.db2.gz NLLTXIKSKVLMKG-QWHCGFSZSA-N 2 0 270.373 1.087 10 0 CDAERP [NH3+]CCN1CC[NH2+][C@H](c2ccnc3ccccc32)C1 ZINC000616603839 361826560 /nfs/dbraw/zinc/82/65/60/361826560.db2.gz RASCWDPQKMJDFS-HNNXBMFYSA-N 2 0 256.353 1.140 10 0 CDAERP [NH3+]CCN1CC[NH2+][C@@H](c2cnc3ccccc3c2)C1 ZINC000616653737 342124155 /nfs/dbraw/zinc/12/41/55/342124155.db2.gz HFCPCXLLRZLAKM-OAHLLOKOSA-N 2 0 256.353 1.140 10 0 CDAERP COC(=O)CC1(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)CC1 ZINC000592478681 342699415 /nfs/dbraw/zinc/69/94/15/342699415.db2.gz HSPSDPRGKOMPSJ-ZIAGYGMSSA-N 2 0 280.412 1.794 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)N2CCCC[C@H]2c2ncc[nH]2)C1 ZINC000592503317 342706011 /nfs/dbraw/zinc/70/60/11/342706011.db2.gz AZWNFNSYSWOJBH-OLZOCXBDSA-N 2 0 291.399 1.741 10 0 CDAERP CO[C@@]1(C(F)(F)F)CCN(C2CC[NH2+]CC2)C1 ZINC000409430711 342168676 /nfs/dbraw/zinc/16/86/76/342168676.db2.gz IWLYFLSYMOVUGD-JTQLQIEISA-N 2 0 252.280 1.392 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CC2(CC(=O)OC)CC2)[C@@H](C)C1 ZINC000440774923 361921846 /nfs/dbraw/zinc/92/18/46/361921846.db2.gz ZTKASGIEXXLTFA-UONOGXRCSA-N 2 0 282.428 1.992 10 0 CDAERP CCCn1c(C[NH2+]CCOCCC[NH3+])nc2ccccc21 ZINC000629398709 361931467 /nfs/dbraw/zinc/93/14/67/361931467.db2.gz GTEDQZWXNWEENX-UHFFFAOYSA-N 2 0 290.411 1.901 10 0 CDAERP C[N@H+](C[C@@H](O)CN1CCOC[C@H]1CC1CCC1)C1CC1 ZINC000339777133 361935712 /nfs/dbraw/zinc/93/57/12/361935712.db2.gz MZCHZSRAMBFREJ-HZPDHXFCSA-N 2 0 282.428 1.333 10 0 CDAERP C[NH2+]CCOCC[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000629406796 361944033 /nfs/dbraw/zinc/94/40/33/361944033.db2.gz YMKONFOSRSWXCY-WBVHZDCISA-N 3 0 297.487 1.855 10 0 CDAERP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000263142336 361990949 /nfs/dbraw/zinc/99/09/49/361990949.db2.gz CKNZLOPTBXHWLT-IRXDYDNUSA-N 2 0 283.375 1.419 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)N1CC[NH+]2CCC1CC2 ZINC000341568328 539073653 /nfs/dbraw/zinc/07/36/53/539073653.db2.gz MSAMQKBPJIYNDU-ZDUSSCGKSA-N 2 0 282.432 1.206 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccccc1CC[NH+](C)C ZINC000625881076 342237324 /nfs/dbraw/zinc/23/73/24/342237324.db2.gz CQTSQOYYMRRUBI-GXTWGEPZSA-N 2 0 290.411 1.663 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCOCC[NH2+]C)C[C@@H]1C ZINC000600677626 342242110 /nfs/dbraw/zinc/24/21/10/342242110.db2.gz IAGSQGQAUQWYPJ-BFHYXJOUSA-N 2 0 286.416 1.180 10 0 CDAERP COC(=O)CCCC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000600710850 342243701 /nfs/dbraw/zinc/24/37/01/342243701.db2.gz QGKQGQJZXZOMMG-AWEZNQCLSA-N 2 0 254.374 1.405 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000186392524 539147872 /nfs/dbraw/zinc/14/78/72/539147872.db2.gz CNBJCTMIANDLLY-ZIAGYGMSSA-N 2 0 284.448 1.452 10 0 CDAERP CC[NH+](CC)CCC[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000626015234 342289057 /nfs/dbraw/zinc/28/90/57/342289057.db2.gz NOIRKYCVGBJRAE-LSDHHAIUSA-N 2 0 254.418 1.813 10 0 CDAERP COc1ccc(C[NH+]2CCC(OCCC[NH3+])CC2)cn1 ZINC000158332945 342282511 /nfs/dbraw/zinc/28/25/11/342282511.db2.gz HGQBORJVZFGZSD-UHFFFAOYSA-N 2 0 279.384 1.420 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000594926601 342973351 /nfs/dbraw/zinc/97/33/51/342973351.db2.gz UJXFKDYQMRAWAD-AAVRWANBSA-N 2 0 268.401 1.506 10 0 CDAERP CC[C@@H]([NH3+])CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000417934895 529559977 /nfs/dbraw/zinc/55/99/77/529559977.db2.gz QCJYOUCQGVMRDP-OTTFEQOBSA-N 2 0 270.421 1.143 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000594925193 342988772 /nfs/dbraw/zinc/98/87/72/342988772.db2.gz MLTGVTWAANHNFZ-ODXJTPSBSA-N 2 0 266.385 1.400 10 0 CDAERP C[NH+](C)CC(C)(C)CNc1nc(N)[nH+]c2c1CCCC2 ZINC000645094872 362113689 /nfs/dbraw/zinc/11/36/89/362113689.db2.gz CGBKVLGPGPMZDS-UHFFFAOYSA-N 2 0 277.416 1.190 10 0 CDAERP CCOC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595901257 343187019 /nfs/dbraw/zinc/18/70/19/343187019.db2.gz UAAHYNULZLDBRE-TZMCWYRMSA-N 2 0 268.401 1.650 10 0 CDAERP [NH3+]CCN(CCOC1CCOCC1)Cc1ccccc1 ZINC000629518132 362132976 /nfs/dbraw/zinc/13/29/76/362132976.db2.gz DGVMFITVOYJRTK-UHFFFAOYSA-N 2 0 278.396 1.643 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)c1ccc(OC)c(O)c1 ZINC000629530802 362160128 /nfs/dbraw/zinc/16/01/28/362160128.db2.gz RSHYALWUFCACNH-LLVKDONJSA-N 2 0 268.357 1.287 10 0 CDAERP C[C@@H](C(=O)NCCNc1cc[nH+]cc1)[NH+]1CCCCCC1 ZINC000536017240 282297548 /nfs/dbraw/zinc/29/75/48/282297548.db2.gz MXKPPDFMEXLOEM-AWEZNQCLSA-N 2 0 290.411 1.296 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000411913706 362295554 /nfs/dbraw/zinc/29/55/54/362295554.db2.gz SJUNOXIZECODRM-HUUCEWRRSA-N 2 0 281.444 1.804 10 0 CDAERP C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1nc(N)nc2c1CCCC2 ZINC000645203937 362370638 /nfs/dbraw/zinc/37/06/38/362370638.db2.gz GPLHQVUAJLTGCV-WDEREUQCSA-N 2 0 275.400 1.297 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000257690404 344370785 /nfs/dbraw/zinc/37/07/85/344370785.db2.gz LNQPKPJOFTZATJ-KBPBESRZSA-N 2 0 267.417 1.448 10 0 CDAERP CC(C)[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)C[C@@H]1C ZINC000263266475 362412085 /nfs/dbraw/zinc/41/20/85/362412085.db2.gz RQBSFPSMKMGNEI-YTFOTSKYSA-N 2 0 254.418 1.617 10 0 CDAERP CCCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000052869579 345306528 /nfs/dbraw/zinc/30/65/28/345306528.db2.gz FNCRHRDTTMOGLA-OAHLLOKOSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@H]1C[C@H](C[N@@H+]2Cc3ccccc3N(C)C(=O)C2)CC[NH2+]1 ZINC000623238801 345739851 /nfs/dbraw/zinc/73/98/51/345739851.db2.gz TYBRPEAHARQCIH-UONOGXRCSA-N 2 0 287.407 1.853 10 0 CDAERP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]CCSCc1ccccc1 ZINC000263294208 362661382 /nfs/dbraw/zinc/66/13/82/362661382.db2.gz WCTAKXBRENYDQL-KBPBESRZSA-N 2 0 266.410 1.090 10 0 CDAERP C[C@@H](CCNC(=O)CCN(C)c1cc[nH+]cc1)[NH+](C)C ZINC000617756370 345955370 /nfs/dbraw/zinc/95/53/70/345955370.db2.gz FULXBIDLYPDVBG-ZDUSSCGKSA-N 2 0 278.400 1.364 10 0 CDAERP CC(C)[C@@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)N1CCOCC1 ZINC000623345423 346072795 /nfs/dbraw/zinc/07/27/95/346072795.db2.gz BUCNMLUBWGNMOO-JKSUJKDBSA-N 2 0 297.487 1.806 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)COCC2CC2)CC1(C)C ZINC000623387100 346121008 /nfs/dbraw/zinc/12/10/08/346121008.db2.gz JXJJVNRYQPIISE-UONOGXRCSA-N 2 0 270.417 1.236 10 0 CDAERP COc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000085361236 179032847 /nfs/dbraw/zinc/03/28/47/179032847.db2.gz YXEALVYHOPXHJJ-QWHCGFSZSA-N 2 0 291.395 1.823 10 0 CDAERP C1CC1c1nc2c(n1[C@@H]1C[NH+]3CCC1CC3)CC[NH2+]C2 ZINC000085568715 179095286 /nfs/dbraw/zinc/09/52/86/179095286.db2.gz CZIYDUKJBQBTBA-OAHLLOKOSA-N 2 0 272.396 1.673 10 0 CDAERP CCc1nc2c(n1C[C@H]1CC[N@@H+](CC)C1)CC[NH2+]C2 ZINC000085570472 179096482 /nfs/dbraw/zinc/09/64/82/179096482.db2.gz FXCGBUDIVWMYLY-LBPRGKRZSA-N 2 0 262.401 1.433 10 0 CDAERP CC(C)Cc1nc2c(n1C[C@@H]1CC[N@H+](C)C1)CC[NH2+]C2 ZINC000085570431 179096558 /nfs/dbraw/zinc/09/65/58/179096558.db2.gz BWVCMBAUEFCSPV-CYBMUJFWSA-N 2 0 276.428 1.679 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CC[C@H](CO)CC2)CC1(C)C ZINC000623446540 346761885 /nfs/dbraw/zinc/76/18/85/346761885.db2.gz HFQQINWKLZSJKN-MGPQQGTHSA-N 2 0 254.418 2.000 10 0 CDAERP CCC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623449769 346766986 /nfs/dbraw/zinc/76/69/86/346766986.db2.gz KUWZSIKLJBHPIY-OLZOCXBDSA-N 2 0 267.417 1.460 10 0 CDAERP CCC(=O)N1CC[C@@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623449770 346767125 /nfs/dbraw/zinc/76/71/25/346767125.db2.gz KUWZSIKLJBHPIY-QWHCGFSZSA-N 2 0 267.417 1.460 10 0 CDAERP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)C1C[NH2+]C1 ZINC000263345466 362784221 /nfs/dbraw/zinc/78/42/21/362784221.db2.gz YVIIMKAZHDPMMN-UHFFFAOYSA-N 2 0 287.407 1.234 10 0 CDAERP CC[N@@H+]1CC[C@@H](CN2C[C@H](C(C)C)[NH2+]C[C@@H]2C)C1 ZINC000086171836 179243030 /nfs/dbraw/zinc/24/30/30/179243030.db2.gz WWLAFSGJTSBBSA-RRFJBIMHSA-N 2 0 253.434 1.647 10 0 CDAERP CC(C)[C@@H]1C[NH2+][C@H](C2CC2)CN1C1CC[NH+](C)CC1 ZINC000086217815 179250025 /nfs/dbraw/zinc/25/00/25/179250025.db2.gz XXRHPGJMJHMJCL-HOTGVXAUSA-N 2 0 265.445 1.789 10 0 CDAERP C[C@@H]1C[NH2+]C2(CCCC2)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223152 179251560 /nfs/dbraw/zinc/25/15/60/179251560.db2.gz TZLIPMYZNDVSNQ-ZIAGYGMSSA-N 2 0 251.418 1.545 10 0 CDAERP CCC[NH+]1CCC(N2C[C@@H](C3CC3)[NH2+]C[C@@H]2C)CC1 ZINC000086227321 179254714 /nfs/dbraw/zinc/25/47/14/179254714.db2.gz YDLSBBKVGAYLSC-BBRMVZONSA-N 2 0 265.445 1.933 10 0 CDAERP CC[C@H]1C[NH2+][C@H](C2CC2)CN1C[C@@H]1CCC[N@H+](C)C1 ZINC000086259238 179258201 /nfs/dbraw/zinc/25/82/01/179258201.db2.gz KLPMPBHMNHDKER-KBMXLJTQSA-N 2 0 265.445 1.791 10 0 CDAERP C[C@H]1C[NH2+][C@@](C)(C2CC2)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086259600 179258671 /nfs/dbraw/zinc/25/86/71/179258671.db2.gz BDPKXMXATXACGV-APHBMKBZSA-N 2 0 263.429 1.686 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CCn3ccnc3C2)CC1(C)C ZINC000623497016 347605118 /nfs/dbraw/zinc/60/51/18/347605118.db2.gz UAJURPLMLHFBRB-QWHCGFSZSA-N 2 0 262.401 1.660 10 0 CDAERP C[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH+]2CCCO)CC1(C)C ZINC000623535798 347620231 /nfs/dbraw/zinc/62/02/31/347620231.db2.gz FZRBYBQGRZXVDL-GJZGRUSLSA-N 2 0 283.460 1.296 10 0 CDAERP CO[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623538140 347621556 /nfs/dbraw/zinc/62/15/56/347621556.db2.gz YJUTVBXSMJOVSG-HZSPNIEDSA-N 2 0 270.417 1.500 10 0 CDAERP C[NH+](C)CCN(Cc1cccs1)C(=O)NC/C=C/C[NH3+] ZINC000641869747 365954749 /nfs/dbraw/zinc/95/47/49/365954749.db2.gz GDNYCCYIRCAXAK-ONEGZZNKSA-N 2 0 296.440 1.336 10 0 CDAERP [NH3+]C/C=C\CNC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000641861876 365945320 /nfs/dbraw/zinc/94/53/20/365945320.db2.gz FPFNDBZSNIRRBD-ARJAWSKDSA-N 2 0 268.405 1.052 10 0 CDAERP [NH3+]CC[C@@H]([NH3+])c1ccccc1I ZINC000306843045 362919592 /nfs/dbraw/zinc/91/95/92/362919592.db2.gz CNDYYGJOQAZYKH-SECBINFHSA-N 2 0 276.121 1.640 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CNC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000352159850 362937060 /nfs/dbraw/zinc/93/70/60/362937060.db2.gz CUCLOAMNZGGGOW-UONOGXRCSA-N 2 0 267.417 1.461 10 0 CDAERP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCOC1CCOCC1 ZINC000629537913 362953912 /nfs/dbraw/zinc/95/39/12/362953912.db2.gz RGDWOXVSMOPTNX-ZDUSSCGKSA-N 2 0 256.390 1.160 10 0 CDAERP C[C@@H]1CC[C@H](N[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)C[NH2+]1 ZINC000629538501 362955655 /nfs/dbraw/zinc/95/56/55/362955655.db2.gz KGVFPLPNPOIUID-KHMAMNHCSA-N 2 0 251.418 1.589 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000629543494 362962599 /nfs/dbraw/zinc/96/25/99/362962599.db2.gz AHPLZKNLMUPBIT-NJVJYBDUSA-N 2 0 252.402 1.922 10 0 CDAERP C[C@H]([NH2+]CCOCCC[NH3+])c1ccc2c(c1)OCO2 ZINC000629541151 362965636 /nfs/dbraw/zinc/96/56/36/362965636.db2.gz RFHKCSAORKEXKW-NSHDSACASA-N 2 0 266.341 1.431 10 0 CDAERP Cc1[nH+]ccc(N2CCN(C)C[C@H]2C[NH3+])c1Cl ZINC000310475411 350589908 /nfs/dbraw/zinc/58/99/08/350589908.db2.gz BRIRHHVTDBIRIE-SNVBAGLBSA-N 2 0 254.765 1.123 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000333303338 362970858 /nfs/dbraw/zinc/97/08/58/362970858.db2.gz JEMVQBOMNKWZJQ-ZNMIVQPWSA-N 2 0 296.459 1.404 10 0 CDAERP C[C@@H](NC(=O)[C@H](C)[N@H+](C)CCOCC[NH3+])c1ccccc1 ZINC000629576371 363034232 /nfs/dbraw/zinc/03/42/32/363034232.db2.gz STVJQCJDFMDIDK-KGLIPLIRSA-N 2 0 293.411 1.159 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000624323741 351546583 /nfs/dbraw/zinc/54/65/83/351546583.db2.gz ANIPXLWAOQDJMM-OLZOCXBDSA-N 2 0 282.432 1.253 10 0 CDAERP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCCC23CCC3)C1 ZINC000334819612 303365821 /nfs/dbraw/zinc/36/58/21/303365821.db2.gz UWWPPTSDOQOYER-ZDUSSCGKSA-N 2 0 265.401 1.202 10 0 CDAERP COCCCn1nccc1CN[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629660292 363265553 /nfs/dbraw/zinc/26/55/53/363265553.db2.gz REXDUBHDXVAMGK-OLZOCXBDSA-N 2 0 266.389 1.150 10 0 CDAERP C[N@H+](C[C@H](O)CNCc1ccc(Cl)o1)C1CC1 ZINC000644519516 366137945 /nfs/dbraw/zinc/13/79/45/366137945.db2.gz OCWKMGGQCPQVMS-SNVBAGLBSA-N 2 0 258.749 1.478 10 0 CDAERP Cc1cc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)on1 ZINC000631172573 363365751 /nfs/dbraw/zinc/36/57/51/363365751.db2.gz PUHYUFBUONEVBB-UHFFFAOYSA-N 2 0 293.411 1.964 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262070039 283065128 /nfs/dbraw/zinc/06/51/28/283065128.db2.gz RYYICZRCXFVCQO-CABCVRRESA-N 2 0 253.434 1.650 10 0 CDAERP [NH3+]CCC[NH2+]CCCCCCCCC[NH2+]CCC[NH3+] ZINC000003823486 356009837 /nfs/dbraw/zinc/00/98/37/356009837.db2.gz JTXGXJZZAIHSKO-UHFFFAOYSA-N 4 0 272.481 1.594 10 0 CDAERP CCOc1ccc(C[NH2+]CCC[NH2+]CCO)cc1OCC ZINC000013733028 356355560 /nfs/dbraw/zinc/35/55/60/356355560.db2.gz PUMIJGCBAJGVFI-UHFFFAOYSA-N 2 0 296.411 1.546 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000417815463 283169053 /nfs/dbraw/zinc/16/90/53/283169053.db2.gz OOTOQEQHBUHMMI-KGLIPLIRSA-N 2 0 282.432 1.112 10 0 CDAERP COc1ccc(F)c(C[NH2+]CC2(O)CC[NH+](C)CC2)c1 ZINC000293719299 198745716 /nfs/dbraw/zinc/74/57/16/198745716.db2.gz YJDROXHRYKITHF-UHFFFAOYSA-N 2 0 282.359 1.381 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000417816359 283171393 /nfs/dbraw/zinc/17/13/93/283171393.db2.gz PZKIMYQDODRLAG-QWHCGFSZSA-N 2 0 270.421 1.016 10 0 CDAERP O=C([C@H]1CCC[NH2+]C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000037826153 356543690 /nfs/dbraw/zinc/54/36/90/356543690.db2.gz ARXVILNUCVKSBW-HNNXBMFYSA-N 2 0 279.428 1.320 10 0 CDAERP CC(C)C[NH+]1CCN([C@@H]2C[C@H]([NH3+])C23CCOCC3)CC1 ZINC000725264442 538455649 /nfs/dbraw/zinc/45/56/49/538455649.db2.gz OGHNSXWQAFRDFO-LSDHHAIUSA-N 2 0 281.444 1.156 10 0 CDAERP CC(C)C[NH+]1CCN([C@@H]2C[C@@H]([NH3+])C23CCOCC3)CC1 ZINC000725264441 538455664 /nfs/dbraw/zinc/45/56/64/538455664.db2.gz OGHNSXWQAFRDFO-HUUCEWRRSA-N 2 0 281.444 1.156 10 0 CDAERP CCC[NH+](CCC)CCCNC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000417467500 283213659 /nfs/dbraw/zinc/21/36/59/283213659.db2.gz MBXJBOIQIVPUFY-CHWSQXEVSA-N 2 0 272.437 1.533 10 0 CDAERP CC[NH+](CC)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH3+] ZINC000058041253 357375867 /nfs/dbraw/zinc/37/58/67/357375867.db2.gz XYPBNUADZAVHOL-VXGBXAGGSA-N 2 0 271.405 1.522 10 0 CDAERP CN(CC(=O)NC[C@@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000058363493 357397304 /nfs/dbraw/zinc/39/73/04/357397304.db2.gz BSWAPNHPPHCPOA-HNNXBMFYSA-N 2 0 275.396 1.329 10 0 CDAERP C[C@@H]1CCC[C@H](C[N@H+](C)CC(=O)N2CC[NH2+]CC2)C1 ZINC000089611166 357502721 /nfs/dbraw/zinc/50/27/21/357502721.db2.gz KKZCMJDMKNTMOU-KGLIPLIRSA-N 2 0 267.417 1.176 10 0 CDAERP [NH3+][C@@H]1CC[C@@H](C(=O)N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000091544181 357717261 /nfs/dbraw/zinc/71/72/61/357717261.db2.gz UAWWRVBIIPHCFX-ZIAGYGMSSA-N 2 0 279.428 1.591 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@H]([NH3+])Cc1ccccc1)C2 ZINC000634749979 358234752 /nfs/dbraw/zinc/23/47/52/358234752.db2.gz JYWMYXPVIQNSEV-OIISXLGYSA-N 2 0 287.407 1.014 10 0 CDAERP O=C(C[C@@H]1CCC[NH2+]C1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062973191 358814357 /nfs/dbraw/zinc/81/43/57/358814357.db2.gz OZIWLODSXFQYMF-UONOGXRCSA-N 2 0 265.401 1.073 10 0 CDAERP FC(F)(F)[C@@H]1CCCN(C[C@H]2C[NH2+]CCO2)C1 ZINC000251520773 366500121 /nfs/dbraw/zinc/50/01/21/366500121.db2.gz WUKUGOGHSPBNQX-NXEZZACHSA-N 2 0 252.280 1.249 10 0 CDAERP Cn1c2ccc(CN3C[C@H]4C[NH2+]C[C@H]4C3)cc2sc1=O ZINC000261928378 359093834 /nfs/dbraw/zinc/09/38/34/359093834.db2.gz LFOMUKALLHZWOL-TXEJJXNPSA-N 2 0 289.404 1.251 10 0 CDAERP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C[C@@]1(C)CC[NH2+]C1 ZINC000261977787 359111352 /nfs/dbraw/zinc/11/13/52/359111352.db2.gz IWGGVBRGAGPDKR-FPCVCCKLSA-N 2 0 281.444 1.170 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)C1CC1 ZINC000237196728 359398515 /nfs/dbraw/zinc/39/85/15/359398515.db2.gz BAIUQZSICYLKAH-ZQDZILKHSA-N 2 0 279.428 1.364 10 0 CDAERP CCCN1C[C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CC1=O ZINC000421895424 359498642 /nfs/dbraw/zinc/49/86/42/359498642.db2.gz YNFYMDCKPPADMB-JONQDZQNSA-N 2 0 293.455 1.707 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](C2CC2)C1 ZINC000347900245 359658266 /nfs/dbraw/zinc/65/82/66/359658266.db2.gz UAIKIKKDYVRUFY-LSDHHAIUSA-N 2 0 279.428 1.556 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCN[C@H]1CCC[C@H]1C[NH3+] ZINC000422887084 359666397 /nfs/dbraw/zinc/66/63/97/359666397.db2.gz JZBQSYZGYVLNHR-XGUBFFRZSA-N 2 0 253.434 1.966 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(OC)cc1F ZINC000422927501 359679955 /nfs/dbraw/zinc/67/99/55/359679955.db2.gz GMLHUVBSDMDHPV-GFCCVEGCSA-N 2 0 270.348 1.678 10 0 CDAERP CC[C@@H](C[NH2+][C@H](CCC[NH3+])COC)N1CCCC1 ZINC000422967410 359724560 /nfs/dbraw/zinc/72/45/60/359724560.db2.gz SZXCKHGCMJKQNT-KGLIPLIRSA-N 2 0 257.422 1.204 10 0 CDAERP CO[C@H](CC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)C(F)(F)F ZINC000423076251 359748252 /nfs/dbraw/zinc/74/82/52/359748252.db2.gz YTRBGMROJIMYMJ-GMTAPVOTSA-N 2 0 268.323 1.932 10 0 CDAERP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415052791 296002122 /nfs/dbraw/zinc/00/21/22/296002122.db2.gz LITMPBVWRGOPQA-ORBLRFAASA-N 3 0 294.487 1.323 10 0 CDAERP C[NH2+][C@@H](C)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379667760 359904218 /nfs/dbraw/zinc/90/42/18/359904218.db2.gz BZEKQVUTRQWXCG-GOEBONIOSA-N 2 0 289.423 1.765 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CC2(O)CCC2)CC1 ZINC000336843686 359911351 /nfs/dbraw/zinc/91/13/51/359911351.db2.gz XSGXXQFOLRBKEO-IYBDPMFKSA-N 2 0 295.471 1.392 10 0 CDAERP CN(c1ncnc2[nH]ccc21)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000354087111 359927516 /nfs/dbraw/zinc/92/75/16/359927516.db2.gz WYFGVASYWXVPAE-NSHDSACASA-N 2 0 257.341 1.631 10 0 CDAERP C[C@H]1CCC[C@@H]1[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000337461437 360150189 /nfs/dbraw/zinc/15/01/89/360150189.db2.gz KOZNZBULHKJPNV-WFASDCNBSA-N 2 0 279.428 1.508 10 0 CDAERP CN(C(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1)c1ccccc1 ZINC000336542729 363721398 /nfs/dbraw/zinc/72/13/98/363721398.db2.gz IUHZRGAVJOWQRC-UHFFFAOYSA-N 2 0 287.407 1.725 10 0 CDAERP [NH3+][C@H](CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)C1CC1 ZINC000515004923 360419830 /nfs/dbraw/zinc/41/98/30/360419830.db2.gz OTTLIYFLDCNSJP-HUUCEWRRSA-N 2 0 294.443 1.384 10 0 CDAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CN[C@H]1CC[NH2+]C1 ZINC000635002904 360646171 /nfs/dbraw/zinc/64/61/71/360646171.db2.gz AZXAXGRTZLGEHZ-PVAVHDDUSA-N 2 0 273.424 1.706 10 0 CDAERP COc1cccc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c1OC ZINC000635000195 360639025 /nfs/dbraw/zinc/63/90/25/360639025.db2.gz JDNDDFMUULSUCC-AAEUAGOBSA-N 2 0 264.369 1.730 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000418679937 296021958 /nfs/dbraw/zinc/02/19/58/296021958.db2.gz ABSUHVWEMGYAEJ-VXGBXAGGSA-N 2 0 298.456 1.557 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000166352140 360875988 /nfs/dbraw/zinc/87/59/88/360875988.db2.gz QFOUPKPPUXATRA-KFWWJZLASA-N 2 0 281.444 1.741 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000417174989 296026416 /nfs/dbraw/zinc/02/64/16/296026416.db2.gz IXSNNXVSBFVVOT-MNOVXSKESA-N 2 0 270.421 1.284 10 0 CDAERP CN(C)c1nccc(N2CC[C@]3(C2)CCC[N@H+](C)C3)n1 ZINC000338739712 361000116 /nfs/dbraw/zinc/00/01/16/361000116.db2.gz CVWMHNKWOKCMMP-OAHLLOKOSA-N 2 0 275.400 1.465 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(C(=O)Cn2cncc2C)C1 ZINC000528698778 361196744 /nfs/dbraw/zinc/19/67/44/361196744.db2.gz AXIDMXWIYMZQGG-ZDUSSCGKSA-N 2 0 264.373 1.134 10 0 CDAERP CCN1CC[C@H]([NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000389191690 361266226 /nfs/dbraw/zinc/26/62/26/361266226.db2.gz VIZQEJVIDSIMRZ-OUAUKWLOSA-N 2 0 266.307 1.780 10 0 CDAERP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000636204360 363747057 /nfs/dbraw/zinc/74/70/57/363747057.db2.gz MDCKLWVUQGQYTM-LSDHHAIUSA-N 2 0 281.444 1.565 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)CCCC[NH+](C)C)[C@@H](C)C1 ZINC000519572543 361358328 /nfs/dbraw/zinc/35/83/28/361358328.db2.gz QWNVFXZQKSMGCQ-GJZGRUSLSA-N 2 0 283.460 1.907 10 0 CDAERP [NH3+]C1(CNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)CCCCCC1 ZINC000336596750 363798586 /nfs/dbraw/zinc/79/85/86/363798586.db2.gz QNAUGIUDETXJCJ-TZMCWYRMSA-N 2 0 265.401 1.154 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)CN1C[C@H]2CCCC[NH+]2C[C@H]1C ZINC000380714750 482871185 /nfs/dbraw/zinc/87/11/85/482871185.db2.gz PXIDZIZQYUBUKC-OAGGEKHMSA-N 2 0 283.460 1.246 10 0 CDAERP CC[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000336622399 363881868 /nfs/dbraw/zinc/88/18/68/363881868.db2.gz LWYJACFNYUNQEX-ZFWWWQNUSA-N 2 0 296.459 1.595 10 0 CDAERP Cc1ccc(C(=O)NCC[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000400544058 239484579 /nfs/dbraw/zinc/48/45/79/239484579.db2.gz VNINEQDMTIMJME-DZGCQCFKSA-N 2 0 275.396 1.312 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)N2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000170835910 364383143 /nfs/dbraw/zinc/38/31/43/364383143.db2.gz HJCZHRGBOFIPAI-OAHLLOKOSA-N 2 0 296.459 1.596 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)[C@@](C)([NH3+])c2ccccc2)CC[N@@H+]1C ZINC000248990807 364427663 /nfs/dbraw/zinc/42/76/63/364427663.db2.gz NGWRIKYDUXDVKF-KMFMINBZSA-N 2 0 289.423 1.802 10 0 CDAERP COC[C@H](C)C[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000187768168 364820351 /nfs/dbraw/zinc/82/03/51/364820351.db2.gz WTOYQINSTGNHAA-CQSZACIVSA-N 2 0 292.427 1.206 10 0 CDAERP [NH2+]=C(NCc1ccccc1)N[C@H]1CC[N@@H+]2CCC[C@@H]12 ZINC000306985223 364931613 /nfs/dbraw/zinc/93/16/13/364931613.db2.gz NADRXYCNMMKLSP-KBPBESRZSA-N 2 0 258.369 1.537 10 0 CDAERP CNC(=[NH2+])NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000307006495 364982301 /nfs/dbraw/zinc/98/23/01/364982301.db2.gz GAQGHHUJERNXTC-GOOCMWNKSA-N 2 0 272.396 1.926 10 0 CDAERP O=C([C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)N1CCC2(C1)CC[NH2+]CC2 ZINC000374513567 296075041 /nfs/dbraw/zinc/07/50/41/296075041.db2.gz JTCKVNZIJVXRCM-ILXRZTDVSA-N 2 0 291.439 1.509 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000626959900 366904963 /nfs/dbraw/zinc/90/49/63/366904963.db2.gz JGGUQTGWNFRTHT-DZGCQCFKSA-N 2 0 296.459 1.548 10 0 CDAERP C[C@H]1C[C@@H](C[NH+]2CCN(c3cccc(O)c3)CC2)CC[NH2+]1 ZINC000414682701 241318079 /nfs/dbraw/zinc/31/80/79/241318079.db2.gz RTTSGRSYDGBKGY-GJZGRUSLSA-N 2 0 289.423 1.902 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[C@H]([NH3+])[C@@H]1C ZINC000414767622 241375206 /nfs/dbraw/zinc/37/52/06/241375206.db2.gz JIVRZVINVVFBNK-WFASDCNBSA-N 2 0 271.368 1.497 10 0 CDAERP COc1ccccc1/C=C\C[NH2+]CCCN1CC[NH2+]CC1 ZINC000414780137 241383127 /nfs/dbraw/zinc/38/31/27/241383127.db2.gz KPBUSKIZYRLLBB-DAXSKMNVSA-N 2 0 289.423 1.593 10 0 CDAERP CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000626997907 367219338 /nfs/dbraw/zinc/21/93/38/367219338.db2.gz FYROULJOOMZQGI-BFHYXJOUSA-N 2 0 282.432 1.301 10 0 CDAERP CC(C)[NH+](CCCNC(=O)N[C@H]1CC[C@H](C)[NH2+]C1)C(C)C ZINC000626991678 367187790 /nfs/dbraw/zinc/18/77/90/367187790.db2.gz JUJUPGGAZPLGOX-GJZGRUSLSA-N 2 0 298.475 1.935 10 0 CDAERP [NH3+]CCCCC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000572520349 367253735 /nfs/dbraw/zinc/25/37/35/367253735.db2.gz GSFXJRIZSKQUQD-UHFFFAOYSA-N 2 0 279.428 1.385 10 0 CDAERP C[C@@H](NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[C@H]1CCC[NH2+]C1 ZINC000627068220 367338146 /nfs/dbraw/zinc/33/81/46/367338146.db2.gz IDMGSLKSYCHVBI-CLWVCHIJSA-N 2 0 294.443 1.016 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000627111584 367462020 /nfs/dbraw/zinc/46/20/20/367462020.db2.gz CJQAMKYKAIJXNK-LJISPDSOSA-N 2 0 294.443 1.443 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627112618 367463885 /nfs/dbraw/zinc/46/38/85/367463885.db2.gz ZFTQKTZNMKIJQD-WFASDCNBSA-N 2 0 290.411 1.346 10 0 CDAERP [NH3+]CCCNC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000416792316 242136798 /nfs/dbraw/zinc/13/67/98/242136798.db2.gz LMDLFYIEQSTJBF-UHFFFAOYSA-N 2 0 290.411 1.299 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000627158765 367587505 /nfs/dbraw/zinc/58/75/05/367587505.db2.gz DFTTTWBBILCPLV-HZSPNIEDSA-N 2 0 282.432 1.251 10 0 CDAERP C[C@@H](NC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)[C@H](C)[NH3+] ZINC000417178533 242347364 /nfs/dbraw/zinc/34/73/64/242347364.db2.gz DVUPSDPLXHDVBH-GUTXKFCHSA-N 2 0 292.427 1.194 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627205821 367703309 /nfs/dbraw/zinc/70/33/09/367703309.db2.gz DVCRSSJIMSZOGB-IHRRRGAJSA-N 2 0 282.432 1.253 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C[NH2+]1 ZINC000627205723 367703354 /nfs/dbraw/zinc/70/33/54/367703354.db2.gz CVKCXCBQVKLYSN-BPLDGKMQSA-N 2 0 294.443 1.301 10 0 CDAERP CC(C)[C@@H]([NH3+])CCN(C)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627207911 367709770 /nfs/dbraw/zinc/70/97/70/367709770.db2.gz UMGMOBNDXPQXHA-AGIUHOORSA-N 2 0 270.421 1.142 10 0 CDAERP C[C@@H](C[NH3+])CNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000417658186 242573889 /nfs/dbraw/zinc/57/38/89/242573889.db2.gz IQLUDXYQIBYUKS-NSHDSACASA-N 2 0 296.390 1.281 10 0 CDAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627239519 367803628 /nfs/dbraw/zinc/80/36/28/367803628.db2.gz CIFLGWHDIUNKBQ-RFQIPJPRSA-N 2 0 280.416 1.005 10 0 CDAERP C[C@H](CNC(=O)CCC1C[NH2+]C1)C[NH+]1CCCCC1 ZINC000638076992 368087376 /nfs/dbraw/zinc/08/73/76/368087376.db2.gz OCYULCUQGDYCPL-CYBMUJFWSA-N 2 0 267.417 1.224 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000360330180 368234836 /nfs/dbraw/zinc/23/48/36/368234836.db2.gz RTTJEUIMDQPZHY-HIFRSBDPSA-N 2 0 299.484 1.414 10 0 CDAERP CC(C)C[C@@H](C[NH3+])NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000418411465 243044962 /nfs/dbraw/zinc/04/49/62/243044962.db2.gz FTEBUVLOQJKPKE-KBPBESRZSA-N 2 0 280.416 1.016 10 0 CDAERP CCC[C@@H]1C[NH2+]CCN1C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418442404 243082255 /nfs/dbraw/zinc/08/22/55/243082255.db2.gz DTDLBBXTOFIXMH-HUUCEWRRSA-N 2 0 290.411 1.470 10 0 CDAERP C[C@@H]1CN(C(=O)NC[C@H]([NH3+])c2ccccc2)[C@@H](C)C[NH2+]1 ZINC000418454964 243099509 /nfs/dbraw/zinc/09/95/09/243099509.db2.gz QYDCXLSBJOCNRC-DYEKYZERSA-N 2 0 276.384 1.078 10 0 CDAERP CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000418549729 243203955 /nfs/dbraw/zinc/20/39/55/243203955.db2.gz AASFNTNNXTZHOD-UONOGXRCSA-N 2 0 284.448 1.358 10 0 CDAERP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000250834292 284051749 /nfs/dbraw/zinc/05/17/49/284051749.db2.gz KHROXDQOEUOZJL-GBOPCIDUSA-N 2 0 277.412 1.260 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000418677853 243331822 /nfs/dbraw/zinc/33/18/22/243331822.db2.gz SCAADMXEWPLZEP-AEGPPILISA-N 2 0 290.411 1.598 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000418693601 243346047 /nfs/dbraw/zinc/34/60/47/243346047.db2.gz GZWKVUWOOXVEDW-STQMWFEESA-N 2 0 296.415 1.479 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000418716989 243371796 /nfs/dbraw/zinc/37/17/96/243371796.db2.gz ZZXTZQPEJMCGQL-NEPJUHHUSA-N 2 0 270.421 1.095 10 0 CDAERP C[C@@H](C[NH3+])C[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000414877865 368629053 /nfs/dbraw/zinc/62/90/53/368629053.db2.gz NKHGQXHIUHVUQX-JTQLQIEISA-N 2 0 262.382 1.890 10 0 CDAERP C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)[C@@H](C)C[N@@H+]1C ZINC000541854370 368686383 /nfs/dbraw/zinc/68/63/83/368686383.db2.gz NTVUAILFKRHMEN-KGLIPLIRSA-N 2 0 290.411 1.459 10 0 CDAERP [NH3+]CC12CCC(CC1)CN2C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000567284095 370943027 /nfs/dbraw/zinc/94/30/27/370943027.db2.gz DMMKEQJRUIUVBR-GNHJJJEISA-N 2 0 287.407 1.806 10 0 CDAERP CC(C)[C@H](C)NC(=O)C1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420302029 244049741 /nfs/dbraw/zinc/04/97/41/244049741.db2.gz LUSONOKRGIZPBG-GJZGRUSLSA-N 2 0 295.471 1.859 10 0 CDAERP Cc1nccn1CCC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420360628 244141064 /nfs/dbraw/zinc/14/10/64/244141064.db2.gz GNCFSUKFQPXCRL-OAHLLOKOSA-N 2 0 262.401 1.657 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000079253692 369815299 /nfs/dbraw/zinc/81/52/99/369815299.db2.gz OEHMDFOULDISOX-KGLIPLIRSA-N 2 0 296.459 1.500 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](CC(C)C)C[NH+](C)C)CC[N@@H+]1C ZINC000630831268 370055822 /nfs/dbraw/zinc/05/58/22/370055822.db2.gz FJSHEBIJIQRXKI-SOUVJXGZSA-N 2 0 283.460 1.809 10 0 CDAERP c1nc2c([nH]1)C[C@H]([NH2+]Cc1c[nH]nc1-c1cccnc1)CC2 ZINC000370730086 370139781 /nfs/dbraw/zinc/13/97/81/370139781.db2.gz MFYGJYKERONFJN-CYBMUJFWSA-N 2 0 294.362 1.842 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NCc2ccccc2C[NH+](C)C)C1 ZINC000564746898 370251451 /nfs/dbraw/zinc/25/14/51/370251451.db2.gz WLVCHLBKGXDVID-AWEZNQCLSA-N 2 0 289.423 1.706 10 0 CDAERP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000252411984 370204663 /nfs/dbraw/zinc/20/46/63/370204663.db2.gz NOGDUKMXDVLFRZ-CQJMVSDSSA-N 2 0 291.439 1.650 10 0 CDAERP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCc1ccc2c(c1)C[NH2+]CC2 ZINC000565095859 370350361 /nfs/dbraw/zinc/35/03/61/370350361.db2.gz WZERSOYTSKYFBX-PBFPGSCMSA-N 3 0 273.424 1.808 10 0 CDAERP C[NH+]1CC[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)[C@@H]2CCC[C@H]21 ZINC000375848054 371001706 /nfs/dbraw/zinc/00/17/06/371001706.db2.gz CJOXXUPKQBDVAY-ARFHVFGLSA-N 3 0 263.429 1.711 10 0 CDAERP CC(C)OC[C@@H](O)C[NH2+][C@H](C)C(C)(C)C[NH+](C)C ZINC000566114586 370614027 /nfs/dbraw/zinc/61/40/27/370614027.db2.gz CDNMJKALRDFLDR-OLZOCXBDSA-N 2 0 260.422 1.338 10 0 CDAERP CC(C)OC[C@H](O)C[NH2+][C@@H](C)C(C)(C)C[NH+](C)C ZINC000566114588 370614256 /nfs/dbraw/zinc/61/42/56/370614256.db2.gz CDNMJKALRDFLDR-QWHCGFSZSA-N 2 0 260.422 1.338 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccccc1N1CCOCC1 ZINC000414965763 371098434 /nfs/dbraw/zinc/09/84/34/371098434.db2.gz VXZNKJFNFOZFDU-GDBMZVCRSA-N 2 0 289.423 1.611 10 0 CDAERP c1c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)nc2ncccn12 ZINC000312617103 371094086 /nfs/dbraw/zinc/09/40/86/371094086.db2.gz ASJLLSKHYJDDMN-BETUJISGSA-N 2 0 271.368 1.161 10 0 CDAERP CCOCC[N@@H+]1CCN(CC[C@@H]2CCC[NH+]2C)C[C@@H]1CC ZINC000123358121 371401793 /nfs/dbraw/zinc/40/17/93/371401793.db2.gz RWLZMFOJYNZHOE-IRXDYDNUSA-N 2 0 297.487 1.903 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCNC(=O)c1ccccc1 ZINC000422908890 245394755 /nfs/dbraw/zinc/39/47/55/245394755.db2.gz DUZVGFKJECRUSM-GJZGRUSLSA-N 2 0 275.396 1.524 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCNC(=O)c1ccccc1 ZINC000422912534 245399934 /nfs/dbraw/zinc/39/99/34/245399934.db2.gz NDZBWAYAHJZDDC-ZIAGYGMSSA-N 2 0 261.369 1.133 10 0 CDAERP O=C(NCCCC[NH+]1CCCC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171901091 372208774 /nfs/dbraw/zinc/20/87/74/372208774.db2.gz XQVCPEUGBXLUIG-HNNXBMFYSA-N 2 0 294.443 1.352 10 0 CDAERP C[NH+]1CCC(CCNC(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000333522011 205403089 /nfs/dbraw/zinc/40/30/89/205403089.db2.gz GSDLAIBZTLTQBD-CQSZACIVSA-N 2 0 282.432 1.160 10 0 CDAERP O=C([C@H]1C[C@H](F)C[NH2+]1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000188710111 373244244 /nfs/dbraw/zinc/24/42/44/373244244.db2.gz LDYSBNNLOTVTMD-LSDHHAIUSA-N 2 0 297.418 1.411 10 0 CDAERP CC[C@@H](C)[C@@H](C[NH2+]C1CCN(CCO)CC1)OC ZINC000399211546 373331031 /nfs/dbraw/zinc/33/10/31/373331031.db2.gz XYVAEJIFLMFMOW-TZMCWYRMSA-N 2 0 258.406 1.094 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(CC[NH+](C)C)CC(C)C)CC[N@@H+]1C ZINC000630931403 373403289 /nfs/dbraw/zinc/40/32/89/373403289.db2.gz RHUWFNBERMQXAU-LSDHHAIUSA-N 2 0 283.460 1.763 10 0 CDAERP [NH3+]C1CCC(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000037824312 373528810 /nfs/dbraw/zinc/52/88/10/373528810.db2.gz BKWXUCSIHGDYLU-YMAMQOFZSA-N 2 0 279.428 1.591 10 0 CDAERP CC[NH+](CC)CCCN1CCCC[C@]1(C)C(N)=O ZINC000191838460 373561557 /nfs/dbraw/zinc/56/15/57/373561557.db2.gz SNCGBHSJTQVGQG-CQSZACIVSA-N 2 0 255.406 1.448 10 0 CDAERP CC(C)N(C(=O)C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1)C(C)C ZINC000631843522 373893556 /nfs/dbraw/zinc/89/35/56/373893556.db2.gz OXPDKGISKPBMJU-QWHCGFSZSA-N 2 0 255.406 1.158 10 0 CDAERP CC[C@@H]1CCCC[C@@H]1C[NH2+]CCN1CC[C@@H](O)C1 ZINC000628464780 374249159 /nfs/dbraw/zinc/24/91/59/374249159.db2.gz JEGKYUXNJYSGCV-RBSFLKMASA-N 2 0 254.418 1.859 10 0 CDAERP CC[NH2+]CC1CCN(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000418585566 374417856 /nfs/dbraw/zinc/41/78/56/374417856.db2.gz YPJIDPOZSDDCDG-JSGCOSHPSA-N 2 0 282.432 1.016 10 0 CDAERP CC(C)n1cncc1C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000424150114 246357439 /nfs/dbraw/zinc/35/74/39/246357439.db2.gz YCRKDFZPVHLGQA-HNNXBMFYSA-N 2 0 294.443 1.791 10 0 CDAERP Cc1cc(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)on1 ZINC000631070270 374976522 /nfs/dbraw/zinc/97/65/22/374976522.db2.gz RYPNANORDGGRHU-CYBMUJFWSA-N 2 0 278.400 1.241 10 0 CDAERP CCn1cc([C@H](C)[NH2+]C[C@H]2CC[N@H+](CC)C2)cn1 ZINC000044498829 374998912 /nfs/dbraw/zinc/99/89/12/374998912.db2.gz YBUYPLRYINIPBV-QWHCGFSZSA-N 2 0 250.390 1.895 10 0 CDAERP CC(C)CC[C@H]([NH3+])C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000638854500 375076692 /nfs/dbraw/zinc/07/66/92/375076692.db2.gz QBTQZCUSUHKMOP-UONOGXRCSA-N 2 0 267.417 1.303 10 0 CDAERP [NH3+]C[C@@H](NC(=O)C1(c2ccccc2)CC[NH2+]CC1)C1CC1 ZINC000131942434 375464496 /nfs/dbraw/zinc/46/44/96/375464496.db2.gz AJMLQOFGEVQIJT-OAHLLOKOSA-N 2 0 287.407 1.161 10 0 CDAERP CC(C)[C@@H](CNCc1nccn1C)[NH+]1CCCC1 ZINC000051921313 375589124 /nfs/dbraw/zinc/58/91/24/375589124.db2.gz BYVMCHYRZWMBFP-CYBMUJFWSA-N 2 0 250.390 1.630 10 0 CDAERP C[C@H]1C[NH+]=C(N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)N1 ZINC000306497569 375759212 /nfs/dbraw/zinc/75/92/12/375759212.db2.gz BGXVUMZVFMSCKH-CABCVRRESA-N 2 0 286.423 1.788 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH+](C)C)CC2)CC[N@@H+]1C ZINC000631272929 376056257 /nfs/dbraw/zinc/05/62/57/376056257.db2.gz NMCLRRWFRBLMOG-LSDHHAIUSA-N 2 0 281.444 1.517 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CC[NH+](C)C)CC[N@@H+]1C ZINC000631286201 376066077 /nfs/dbraw/zinc/06/60/77/376066077.db2.gz WSYXLSBBKRKMSS-FRRDWIJNSA-N 2 0 255.406 1.173 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)Cn2ccnc2)CC[N@@H+]1C ZINC000631423397 376228881 /nfs/dbraw/zinc/22/88/81/376228881.db2.gz AONCSUNIHNIVIK-HZSPNIEDSA-N 2 0 278.400 1.366 10 0 CDAERP C[NH+](C)C1(CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000420165873 376289209 /nfs/dbraw/zinc/28/92/09/376289209.db2.gz NQIZSSFGRYLSFW-ZDUSSCGKSA-N 2 0 267.417 1.461 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N2C[C@@H](C[NH3+])C[C@H]2C)CC1 ZINC000417396623 376822301 /nfs/dbraw/zinc/82/23/01/376822301.db2.gz WAPADLYSKCYKBW-UKRRQHHQSA-N 2 0 296.459 1.487 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000417398490 376923424 /nfs/dbraw/zinc/92/34/24/376923424.db2.gz YFKIVYNRXVXWDG-AWEZNQCLSA-N 2 0 282.432 1.160 10 0 CDAERP CC[NH+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000247594416 377156934 /nfs/dbraw/zinc/15/69/34/377156934.db2.gz RXHUKYLESLBRHH-HUUCEWRRSA-N 2 0 296.459 1.644 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247599508 377157362 /nfs/dbraw/zinc/15/73/62/377157362.db2.gz UAHWIECGQFREOX-GJZGRUSLSA-N 2 0 296.459 1.452 10 0 CDAERP C[C@@H]1C[C@H](C[NH+]2CCC(c3ncc[nH]3)CC2)CC[NH2+]1 ZINC000334850825 377620281 /nfs/dbraw/zinc/62/02/81/377620281.db2.gz VQXAMZUINDWRQS-CHWSQXEVSA-N 2 0 262.401 1.977 10 0 CDAERP C[NH2+]CC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000193137264 378243900 /nfs/dbraw/zinc/24/39/00/378243900.db2.gz LONPXSYINNFDEM-UHFFFAOYSA-N 2 0 267.417 1.365 10 0 CDAERP CO[C@H](C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)[C@H]1CCOC1 ZINC000660638872 412900315 /nfs/dbraw/zinc/90/03/15/412900315.db2.gz DTACTYUHPUSLIA-XHSDSOJGSA-N 2 0 282.428 1.456 10 0 CDAERP CCN(C(=O)N[C@@H](C)C[NH+](CC)CC)[C@H]1CC[N@H+](CC)C1 ZINC000663830782 412900964 /nfs/dbraw/zinc/90/09/64/412900964.db2.gz NYDZMYBJXISJPZ-GJZGRUSLSA-N 2 0 298.475 1.842 10 0 CDAERP C[C@]1(C(F)F)C[N@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000662335853 412904940 /nfs/dbraw/zinc/90/49/40/412904940.db2.gz SLAMFJFVKHYJPW-CYBMUJFWSA-N 2 0 262.344 1.732 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CCCSC1 ZINC000657574012 412906710 /nfs/dbraw/zinc/90/67/10/412906710.db2.gz WMVAHHOFJVMHSY-KBPBESRZSA-N 2 0 273.490 1.744 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)CO1 ZINC000657598080 412927191 /nfs/dbraw/zinc/92/71/91/412927191.db2.gz XYYMXBNSOVSLSG-COXVUDFISA-N 2 0 290.407 1.520 10 0 CDAERP CC(C)[C@@H](CNC(=O)[C@H]1Cc2ccccc2C[NH2+]1)[NH+](C)C ZINC000040825527 184549712 /nfs/dbraw/zinc/54/97/12/184549712.db2.gz RQFDZYGZSBAKOV-HZPDHXFCSA-N 2 0 289.423 1.403 10 0 CDAERP CC[NH2+][C@](C)(CO)CCC[NH+]1CCC(OC)CC1 ZINC000085240033 184608214 /nfs/dbraw/zinc/60/82/14/184608214.db2.gz ITWRFRBWLUDYRI-AWEZNQCLSA-N 2 0 258.406 1.238 10 0 CDAERP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C[C@H]1CC[NH2+]C1 ZINC000662402881 412966709 /nfs/dbraw/zinc/96/67/09/412966709.db2.gz FOEUTWYHYHACER-BFHYXJOUSA-N 2 0 267.417 1.223 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)[NH+](C)C)[C@@H](C)C1 ZINC000459032122 252618261 /nfs/dbraw/zinc/61/82/61/252618261.db2.gz AQXARPXLXCGUNJ-IHRRRGAJSA-N 2 0 284.448 1.308 10 0 CDAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000263049125 285027582 /nfs/dbraw/zinc/02/75/82/285027582.db2.gz UIDFJKYCNMSYMZ-FMKPAKJESA-N 2 0 297.443 1.121 10 0 CDAERP COCC[N@H+](CCCn1ccnc1C)Cc1ccnn1C ZINC000489855114 253013757 /nfs/dbraw/zinc/01/37/57/253013757.db2.gz NRZVYGJZKVUKEA-UHFFFAOYSA-N 2 0 291.399 1.464 10 0 CDAERP C[NH+](C)CCOCC[NH2+]C1CC(OCc2ccccc2)C1 ZINC000494434335 253625225 /nfs/dbraw/zinc/62/52/25/253625225.db2.gz KSOLVDYXJVWSEO-UHFFFAOYSA-N 2 0 292.423 1.902 10 0 CDAERP CO[C@H]1C[C@@H]([NH+](C)CCC[N@@H+](C)[C@H]2C[C@@H](OC)C2)C1 ZINC000510108346 254106083 /nfs/dbraw/zinc/10/60/83/254106083.db2.gz KEPAULDLUHQUMW-VLRMEEEOSA-N 2 0 270.417 1.595 10 0 CDAERP CC[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000336622397 285188965 /nfs/dbraw/zinc/18/89/65/285188965.db2.gz LWYJACFNYUNQEX-HIFRSBDPSA-N 2 0 296.459 1.595 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](c1ccc(F)cc1)N(C)C ZINC000422719537 285219857 /nfs/dbraw/zinc/21/98/57/285219857.db2.gz YMJVRUDXLOOYKX-HZPDHXFCSA-N 2 0 297.418 1.772 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000422986125 285220006 /nfs/dbraw/zinc/22/00/06/285220006.db2.gz BNNOMDHBHXYVJA-GHMZBOCLSA-N 2 0 250.333 1.908 10 0 CDAERP CN(CC1C[NH+](C)C1)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000660283031 413035447 /nfs/dbraw/zinc/03/54/47/413035447.db2.gz FJOXRNBAMWQEPC-UHFFFAOYSA-N 2 0 296.459 1.454 10 0 CDAERP O[C@@]1(C(F)(F)F)CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420296057 285343945 /nfs/dbraw/zinc/34/39/45/285343945.db2.gz CYDSSSYVEHDCHP-MNOVXSKESA-N 2 0 266.307 1.375 10 0 CDAERP C[C@H](C[NH3+])N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398163574 390244771 /nfs/dbraw/zinc/24/47/71/390244771.db2.gz GJFGAFBFOMUGNW-LZWOXQAQSA-N 2 0 261.413 1.834 10 0 CDAERP CC[C@@H]1CN(C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC[C@H]1[NH3+] ZINC000647015151 390354396 /nfs/dbraw/zinc/35/43/96/390354396.db2.gz JAIBQFLUGSKREA-TUVASFSCSA-N 2 0 281.444 1.870 10 0 CDAERP [NH3+]CCC[C@H](NC(=O)C[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000647085022 390394784 /nfs/dbraw/zinc/39/47/84/390394784.db2.gz AWEGKBGVGMMAFO-HIFRSBDPSA-N 2 0 275.396 1.582 10 0 CDAERP CC(C)C[C@H]([NH3+])c1noc(-c2ccc(C[NH3+])o2)n1 ZINC000647129878 390493398 /nfs/dbraw/zinc/49/33/98/390493398.db2.gz HSYZGNBJWBYEBY-VIFPVBQESA-N 2 0 250.302 1.834 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000237509697 390845396 /nfs/dbraw/zinc/84/53/96/390845396.db2.gz YAJVUCKCBNKWJM-NWDGAFQWSA-N 2 0 255.406 1.350 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000237508905 390845660 /nfs/dbraw/zinc/84/56/60/390845660.db2.gz ZACSJSWXINVIFE-QKPAOTATSA-N 2 0 295.471 1.988 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N[C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000648205380 390951617 /nfs/dbraw/zinc/95/16/17/390951617.db2.gz DDYVGFKRDQBMBH-CQSZACIVSA-N 2 0 273.380 1.550 10 0 CDAERP [NH3+]C1(CC(=O)N[C@H]2CC[NH2+]C23CCCC3)CCC1 ZINC000648205647 390951718 /nfs/dbraw/zinc/95/17/18/390951718.db2.gz KKGWNQXSNGOGQZ-NSHDSACASA-N 2 0 251.374 1.049 10 0 CDAERP C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1CC[NH+](C)C1 ZINC000307932104 391024589 /nfs/dbraw/zinc/02/45/89/391024589.db2.gz FKQQLWGCSRDZKW-UWVGGRQHSA-N 2 0 254.296 1.183 10 0 CDAERP CCC([NH3+])(CC)CNC(=O)NCc1nccn1CC(C)C ZINC000417739567 391004736 /nfs/dbraw/zinc/00/47/36/391004736.db2.gz QDNJNGIKNRIECV-UHFFFAOYSA-N 2 0 295.431 1.856 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N2CCC[C@@H]2C[NH2+]C)CC1 ZINC000417746636 391012110 /nfs/dbraw/zinc/01/21/10/391012110.db2.gz HKWFSCJCGKAIGK-OAHLLOKOSA-N 2 0 296.459 1.502 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]([NH3+])c2ccccc2)CC[N@@H+]1C ZINC000417759601 391048248 /nfs/dbraw/zinc/04/82/48/391048248.db2.gz WKFIAKBIKCWYFY-VHDGCEQUSA-N 2 0 290.411 1.468 10 0 CDAERP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)[C@@H]1C[C@H]1C1CC1 ZINC000527645412 391076339 /nfs/dbraw/zinc/07/63/39/391076339.db2.gz NJGDGMHGYDGCJJ-UNQGMJICSA-N 2 0 252.402 1.467 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000417798058 391208756 /nfs/dbraw/zinc/20/87/56/391208756.db2.gz QIXMGJRIYNVMOW-ZIAGYGMSSA-N 2 0 275.396 1.581 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(CCO)CCOC2)[C@H]2CCC[C@@H]21 ZINC000353394735 391258395 /nfs/dbraw/zinc/25/83/95/391258395.db2.gz NTOJDULGENDHLM-UGUYLWEFSA-N 2 0 282.428 1.238 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417015167 391339251 /nfs/dbraw/zinc/33/92/51/391339251.db2.gz FCMSDYBOHHKBCI-UKRRQHHQSA-N 2 0 294.443 1.397 10 0 CDAERP CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000178966065 391362423 /nfs/dbraw/zinc/36/24/23/391362423.db2.gz UIOXLQGDUFMVHP-AWEZNQCLSA-N 2 0 267.417 1.319 10 0 CDAERP OCCC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCC1 ZINC000647793214 391631132 /nfs/dbraw/zinc/63/11/32/391631132.db2.gz PONRYWHSBHSRBM-MELADBBJSA-N 2 0 252.402 1.517 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCC[NH+]1CCCC1 ZINC000161868340 391607902 /nfs/dbraw/zinc/60/79/02/391607902.db2.gz CBSLDYJFQJEAMD-HUUCEWRRSA-N 2 0 251.418 1.641 10 0 CDAERP CCC(C)(C)NC(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424283227 391671169 /nfs/dbraw/zinc/67/11/69/391671169.db2.gz BBYGCBLTMOABPL-ZDUSSCGKSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000417707752 391763007 /nfs/dbraw/zinc/76/30/07/391763007.db2.gz VKWZOHMFUKULAP-RRFJBIMHSA-N 2 0 296.459 1.548 10 0 CDAERP CCC[C@@H](C(=O)NCCC[NH+]1CCCCC1)[NH+](C)C ZINC000179272665 391775131 /nfs/dbraw/zinc/77/51/31/391775131.db2.gz LDMXWXFQZUGZGB-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000662477434 413050261 /nfs/dbraw/zinc/05/02/61/413050261.db2.gz FGLKJLOLBHYZAK-CABCVRRESA-N 2 0 297.443 1.073 10 0 CDAERP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1c[nH+]ccc1N(C)C ZINC000647831113 391812810 /nfs/dbraw/zinc/81/28/10/391812810.db2.gz GTVHKRAQVSQFTK-YPMHNXCESA-N 2 0 276.384 1.312 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC000647854960 391865604 /nfs/dbraw/zinc/86/56/04/391865604.db2.gz VPHKUVJOYPPBRC-LALPHHSUSA-N 2 0 275.396 1.663 10 0 CDAERP CC(C)(C[NH+]1CCCC1)NC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333682734 391877762 /nfs/dbraw/zinc/87/77/62/391877762.db2.gz OYOIJGPKCTZESK-ZDUSSCGKSA-N 2 0 282.432 1.302 10 0 CDAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC2CC[NH+](C)CC2)C1 ZINC000246997063 391894205 /nfs/dbraw/zinc/89/42/05/391894205.db2.gz GSTGKWXUICEORW-TZMCWYRMSA-N 2 0 282.432 1.109 10 0 CDAERP CC(C)[C@@H](C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[C@@H](C)[NH3+] ZINC000649319203 392012298 /nfs/dbraw/zinc/01/22/98/392012298.db2.gz OKRNPMGKBSHPLA-BXUZGUMPSA-N 2 0 287.367 1.825 10 0 CDAERP C[N@H+](CCC(=O)N1CC[NH2+]CC1)CCc1ccc(F)cc1 ZINC000262036754 392031119 /nfs/dbraw/zinc/03/11/19/392031119.db2.gz HGXASBLMADGFLQ-UHFFFAOYSA-N 2 0 293.386 1.122 10 0 CDAERP C[C@@H](C[NH+](C)C)NC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000646194438 392154997 /nfs/dbraw/zinc/15/49/97/392154997.db2.gz ZGKOIIGPZYIOQE-WFASDCNBSA-N 2 0 290.411 1.204 10 0 CDAERP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CCCC[NH3+] ZINC000251755479 392241115 /nfs/dbraw/zinc/24/11/15/392241115.db2.gz LNFHMKXDAMPESG-STQMWFEESA-N 2 0 253.390 1.201 10 0 CDAERP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)CC[C@@H]1CCCC[NH+]1C ZINC000422143668 392232927 /nfs/dbraw/zinc/23/29/27/392232927.db2.gz YVJSIWHVYDWZSG-GJZGRUSLSA-N 2 0 281.444 1.804 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H](CO)Cc1cccc(C)c1 ZINC000423071451 392315908 /nfs/dbraw/zinc/31/59/08/392315908.db2.gz OGJWMUVCBBCLNU-HOTGVXAUSA-N 2 0 280.412 1.242 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@H](CO)Cc1ccc(F)c(F)c1 ZINC000423072783 392316986 /nfs/dbraw/zinc/31/69/86/392316986.db2.gz JVQAHJZMVJWJNN-DVOMOZLQSA-N 2 0 298.377 1.833 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000252413102 392248375 /nfs/dbraw/zinc/24/83/75/392248375.db2.gz OTQGFJRPWSIKHQ-BMFZPTHFSA-N 2 0 293.455 1.896 10 0 CDAERP [NH3+][C@H]1C[C@@H](C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)C1 ZINC000567908845 392291515 /nfs/dbraw/zinc/29/15/15/392291515.db2.gz OIHMMHXYWQCPMS-AOOOYVTPSA-N 2 0 280.397 1.286 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000457973618 392308429 /nfs/dbraw/zinc/30/84/29/392308429.db2.gz IRSVAHKBBOGNOY-CHWSQXEVSA-N 2 0 286.379 1.823 10 0 CDAERP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000423088504 392332742 /nfs/dbraw/zinc/33/27/42/392332742.db2.gz QIRWNGZBQOWGCC-ZIAGYGMSSA-N 2 0 266.429 1.907 10 0 CDAERP CCc1nc2c(s1)[C@H]([NH2+]CCOCC[NH2+]C)CCC2 ZINC000629528704 392384608 /nfs/dbraw/zinc/38/46/08/392384608.db2.gz HCLGSXXGGXPWJR-LLVKDONJSA-N 2 0 283.441 1.909 10 0 CDAERP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@](C)(c2ccccc2)C1 ZINC000568164762 392379179 /nfs/dbraw/zinc/37/91/79/392379179.db2.gz ZICDFNYZMODMAX-IRXDYDNUSA-N 2 0 276.424 1.963 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCCc1ncccc1C ZINC000423149783 392389923 /nfs/dbraw/zinc/38/99/23/392389923.db2.gz HZXYWYSWGLLFIW-AWEZNQCLSA-N 2 0 265.401 1.666 10 0 CDAERP [NH3+]C[C@H]1CCC[C@@H]1NCCC[NH2+]Cc1cccnc1 ZINC000423184564 392424455 /nfs/dbraw/zinc/42/44/55/392424455.db2.gz IHSPFGCIMDQELP-CABCVRRESA-N 2 0 262.401 1.278 10 0 CDAERP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423276425 392483067 /nfs/dbraw/zinc/48/30/67/392483067.db2.gz OMAYPOLUSNNLQY-UAGQMJEPSA-N 3 0 275.440 1.924 10 0 CDAERP COc1ccc([C@H](NC[C@@H](C)C[NH3+])[C@@H]2CCC[NH2+]2)cc1 ZINC000423300286 392495806 /nfs/dbraw/zinc/49/58/06/392495806.db2.gz DGCRSBTYWKLLBV-RCBQFDQVSA-N 2 0 277.412 1.673 10 0 CDAERP C[C@@H](CC[NH+](C)C)NC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662479044 413053624 /nfs/dbraw/zinc/05/36/24/413053624.db2.gz BORBDNULQCIJTA-SWLSCSKDSA-N 2 0 275.396 1.677 10 0 CDAERP CC[C@H](O)CC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000448855139 392547026 /nfs/dbraw/zinc/54/70/26/392547026.db2.gz XLWJJCLAVQWFQL-CABCVRRESA-N 2 0 299.459 1.022 10 0 CDAERP CC1CC[NH+](CCN2CCC([NH+](C)C)CC2)CC1 ZINC000127926549 392632738 /nfs/dbraw/zinc/63/27/38/392632738.db2.gz CRXMBRKJPSFXFD-UHFFFAOYSA-N 2 0 253.434 1.744 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)C[C@@H]2CC[NH2+]C2)cc1 ZINC000646805878 392836648 /nfs/dbraw/zinc/83/66/48/392836648.db2.gz IOTJLUMVABRMQO-YPMHNXCESA-N 2 0 261.369 1.322 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCC[NH+]1C1CC1 ZINC000494259873 392962009 /nfs/dbraw/zinc/96/20/09/392962009.db2.gz PFJNYLPHZGPMLT-HIFRSBDPSA-N 2 0 279.428 1.604 10 0 CDAERP C[C@H]1C[N@H+](CCO)CCN1c1cc[nH+]c2ccccc21 ZINC000450952543 393026717 /nfs/dbraw/zinc/02/67/17/393026717.db2.gz IHRQYYXJZPYTNH-ZDUSSCGKSA-N 2 0 271.364 1.738 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+][C@@H]2C[C@H](C)[C@H]2C)CC1 ZINC000494926232 393133504 /nfs/dbraw/zinc/13/35/04/393133504.db2.gz STURGWRSUDRWAA-RRFJBIMHSA-N 2 0 253.434 1.648 10 0 CDAERP CC(C)(C[NH2+][C@H]1CCC(=O)NC1(C)C)C[NH+]1CCCC1 ZINC000494943298 393137522 /nfs/dbraw/zinc/13/75/22/393137522.db2.gz VMYIFLAUFVBULH-ZDUSSCGKSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)CC(C)(C)[NH3+] ZINC000645951188 393426638 /nfs/dbraw/zinc/42/66/38/393426638.db2.gz IGZXLDHGHMKEGV-VXGBXAGGSA-N 2 0 255.406 1.493 10 0 CDAERP CCOC(=O)c1nn(C)cc1CNC[C@@H]1CC[N@H+](CC)C1 ZINC000186312363 140059011 /nfs/dbraw/zinc/05/90/11/140059011.db2.gz HIUZMVBTPMJTFH-LBPRGKRZSA-N 2 0 294.399 1.028 10 0 CDAERP CC(C)[C@](C)(O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000187072433 140075037 /nfs/dbraw/zinc/07/50/37/140075037.db2.gz JEDLAYLOBBSKRA-HUUCEWRRSA-N 2 0 254.418 1.811 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000233052907 140226221 /nfs/dbraw/zinc/22/62/21/140226221.db2.gz FJXUEGVUXTVZLT-KBPBESRZSA-N 2 0 281.444 1.707 10 0 CDAERP Nc1cc[nH+]cc1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250170011 140301719 /nfs/dbraw/zinc/30/17/19/140301719.db2.gz LMMZIGUTXIOSBB-MNOVXSKESA-N 2 0 260.341 1.020 10 0 CDAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250099284 140302528 /nfs/dbraw/zinc/30/25/28/140302528.db2.gz RCINGQNEIFEMSE-WYTNZGFTSA-N 2 0 265.401 1.021 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CC[C@H]1CC[NH2+]C1 ZINC000251625282 140310284 /nfs/dbraw/zinc/31/02/84/140310284.db2.gz FDASAPCWGXBLBO-QLFBSQMISA-N 2 0 279.428 1.461 10 0 CDAERP COc1cc(CN2CC[C@@](C)(C[NH3+])C2)cc2c1OCCO2 ZINC000261813647 140393189 /nfs/dbraw/zinc/39/31/89/140393189.db2.gz OXWOBHIKZLQVBJ-INIZCTEOSA-N 2 0 292.379 1.637 10 0 CDAERP C[C@@H](NC(=O)NCCN(C)CCC[NH+](C)C)C1CCCC1 ZINC000664120802 413090982 /nfs/dbraw/zinc/09/09/82/413090982.db2.gz YROCVQJFLNTKGD-CQSZACIVSA-N 2 0 298.475 1.748 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000656200464 413099018 /nfs/dbraw/zinc/09/90/18/413099018.db2.gz NAQQUWHLAOQGCR-DGADGQDISA-N 3 0 265.445 1.837 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000656201818 413102691 /nfs/dbraw/zinc/10/26/91/413102691.db2.gz ZSTXRAUTPXVQNK-RYPNDVFKSA-N 3 0 251.418 1.304 10 0 CDAERP C[NH+](C)[C@H]1CCC[N@H+](CC2(O)CCSCC2)CC1 ZINC000660415429 413109824 /nfs/dbraw/zinc/10/98/24/413109824.db2.gz CRZVIURUHMEPCP-ZDUSSCGKSA-N 2 0 272.458 1.661 10 0 CDAERP CN(CC[N@H+](C)C1CC1)C(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662537511 413107737 /nfs/dbraw/zinc/10/77/37/413107737.db2.gz AJCOJLBUXBLAIP-INIZCTEOSA-N 2 0 287.407 1.774 10 0 CDAERP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2CSC2)CC1 ZINC000679625990 483396167 /nfs/dbraw/zinc/39/61/67/483396167.db2.gz KIZQIFIZDFKFFE-UONOGXRCSA-N 2 0 270.442 1.459 10 0 CDAERP COC[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)C1CC1 ZINC000658067949 413166994 /nfs/dbraw/zinc/16/69/94/413166994.db2.gz SOTWULBFHXGYGI-QGZVFWFLSA-N 2 0 296.455 1.892 10 0 CDAERP CCc1cc(N[C@H](C)[C@H](C)[NH3+])nc(-c2ccncc2)n1 ZINC000420256002 397690755 /nfs/dbraw/zinc/69/07/55/397690755.db2.gz CBLUHSUDMOCIRN-WDEREUQCSA-N 2 0 271.368 1.671 10 0 CDAERP C[NH+](C)CC[C@@H](N)c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000650229424 397797291 /nfs/dbraw/zinc/79/72/91/397797291.db2.gz YUSHWUUVKPAJEW-GFCCVEGCSA-N 2 0 275.356 1.147 10 0 CDAERP COC1(C[C@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)CCC1 ZINC000429435487 292126320 /nfs/dbraw/zinc/12/63/20/292126320.db2.gz JLMYDSGTDGCWDZ-HOTGVXAUSA-N 2 0 297.487 1.950 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N(C)CC[NH+](C)C ZINC000651193001 397872440 /nfs/dbraw/zinc/87/24/40/397872440.db2.gz IJEQVDFIHMZBNM-UHFFFAOYSA-N 2 0 272.437 1.167 10 0 CDAERP COCC[N@@H+]1CCN(CC[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000649850599 397994800 /nfs/dbraw/zinc/99/48/00/397994800.db2.gz WGXRFBFHAVMKRC-HNNXBMFYSA-N 2 0 283.460 1.513 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1CCC([NH3+])CC1 ZINC000037622994 398096215 /nfs/dbraw/zinc/09/62/15/398096215.db2.gz LNULEEWGUMSCJA-WLYUNCDWSA-N 2 0 281.444 1.885 10 0 CDAERP [NH3+]C1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000037626137 398097497 /nfs/dbraw/zinc/09/74/97/398097497.db2.gz PIZLFGJCDDMEGK-UHFFFAOYSA-N 2 0 267.417 1.496 10 0 CDAERP CC[C@@H]1CN(CC[NH+]2CCC(C)CC2)CC[N@@H+]1CCOC ZINC000153804744 289182287 /nfs/dbraw/zinc/18/22/87/289182287.db2.gz BOZUITKKXDOHKZ-QGZVFWFLSA-N 2 0 297.487 1.761 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1nccn1C ZINC000658105588 413204171 /nfs/dbraw/zinc/20/41/71/413204171.db2.gz BAWYBORWLLCMDL-KBPBESRZSA-N 2 0 281.448 1.343 10 0 CDAERP CN(CC[NH2+]CC1CCCC1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001664018393 1172802633 /nfs/dbraw/zinc/80/26/33/1172802633.db2.gz NFKOMETZUKERTJ-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000193304154 148620447 /nfs/dbraw/zinc/62/04/47/148620447.db2.gz WKACRIKYDOIPAM-HZSPNIEDSA-N 2 0 283.460 1.987 10 0 CDAERP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000262058467 149005343 /nfs/dbraw/zinc/00/53/43/149005343.db2.gz YFMMHEBGDWYXPP-AVGNSLFASA-N 2 0 253.390 1.152 10 0 CDAERP CCC[C@](C)([NH3+])C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000262705153 149100477 /nfs/dbraw/zinc/10/04/77/149100477.db2.gz LQWXICHSVLALBB-HOCLYGCPSA-N 2 0 297.443 1.075 10 0 CDAERP CN1CCCC(C)(C)[C@H]1C[NH2+]C1CCC([NH3+])CC1 ZINC000335011489 150183403 /nfs/dbraw/zinc/18/34/03/150183403.db2.gz MQKQVQBVBUQNEJ-JXQTWKCFSA-N 2 0 253.434 1.966 10 0 CDAERP CC1(C)NC(=O)CC[C@H]1[NH2+]CC1([NH3+])CCCCCC1 ZINC000335058879 150241062 /nfs/dbraw/zinc/24/10/62/150241062.db2.gz MBKRJMYSXFIYGJ-GFCCVEGCSA-N 2 0 267.417 1.685 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000335532752 150749132 /nfs/dbraw/zinc/74/91/32/150749132.db2.gz FEWJYEJVRJLIAP-GXTWGEPZSA-N 2 0 267.417 1.364 10 0 CDAERP C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000343555821 152222771 /nfs/dbraw/zinc/22/27/71/152222771.db2.gz FZGOEFJOFZZZDE-RHSMWYFYSA-N 3 0 291.439 1.667 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN(C)CC[NH+](C)C ZINC000348897569 154004992 /nfs/dbraw/zinc/00/49/92/154004992.db2.gz VSRGLVVEFMZMGV-UHFFFAOYSA-N 2 0 273.384 1.569 10 0 CDAERP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662685407 413311877 /nfs/dbraw/zinc/31/18/77/413311877.db2.gz SIKKRKQWHBKKCZ-LLVKDONJSA-N 2 0 294.399 1.282 10 0 CDAERP C[C@H](CNC(=O)C1([NH2+]C2CC2)CCC1)C[NH+]1CCCCC1 ZINC000662689428 413320198 /nfs/dbraw/zinc/32/01/98/413320198.db2.gz GQQAFVFWESCREN-CQSZACIVSA-N 2 0 293.455 1.899 10 0 CDAERP COC[C@@H]1CCN1Cc1ncc(CN(C)C)s1 ZINC000354059724 156244562 /nfs/dbraw/zinc/24/45/62/156244562.db2.gz VYGIJVUPKUJMPB-JTQLQIEISA-N 2 0 255.387 1.425 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000662694059 413326364 /nfs/dbraw/zinc/32/63/64/413326364.db2.gz UFVGXIBHNRLJED-UHFFFAOYSA-N 2 0 293.455 1.899 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000662702699 413348969 /nfs/dbraw/zinc/34/89/69/413348969.db2.gz CMSCLANHJDDBEZ-SOUVJXGZSA-N 2 0 281.444 1.885 10 0 CDAERP [NH3+]C1(CC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000662716250 413372338 /nfs/dbraw/zinc/37/23/38/413372338.db2.gz PRFCVECUJIHHNZ-HNNXBMFYSA-N 2 0 293.455 1.982 10 0 CDAERP CC(C)([NH3+])c1cc(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)on1 ZINC000662720137 413380570 /nfs/dbraw/zinc/38/05/70/413380570.db2.gz SUELPUDZQHICQR-LLVKDONJSA-N 2 0 292.383 1.083 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)NCC[N@H+]2CCCC[C@H]2C)CC[NH+]1C ZINC000361857650 159001691 /nfs/dbraw/zinc/00/16/91/159001691.db2.gz BXPLHJDXPWURLE-KFWWJZLASA-N 2 0 296.459 1.643 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)NCC[N@H+]2CCCC[C@@H]2C)CC[NH+]1C ZINC000361857652 159001835 /nfs/dbraw/zinc/00/18/35/159001835.db2.gz BXPLHJDXPWURLE-RRFJBIMHSA-N 2 0 296.459 1.643 10 0 CDAERP CCO[C@H](CC[NH+](C)C)CNC(=O)CC1CC[NH+](C)CC1 ZINC000362936607 159271765 /nfs/dbraw/zinc/27/17/65/159271765.db2.gz WNLJNWMBCHATCC-OAHLLOKOSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@@H](C[NH3+])C(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000367609114 159511066 /nfs/dbraw/zinc/51/10/66/159511066.db2.gz VAMBVANFYXSIBE-QWHCGFSZSA-N 2 0 253.390 1.058 10 0 CDAERP CC/C=C\CC[NH+]1CC(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001665350446 1172982926 /nfs/dbraw/zinc/98/29/26/1172982926.db2.gz NJTVIYIAMLGATH-XITLMJRVSA-N 2 0 295.471 1.977 10 0 CDAERP CC1(C)CC[NH2+][C@@H]1C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000662760656 413449930 /nfs/dbraw/zinc/44/99/30/413449930.db2.gz HXCJHRYCEJYWER-MGPQQGTHSA-N 2 0 279.428 1.365 10 0 CDAERP CC[NH+](CC)CCCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001587462975 1172987162 /nfs/dbraw/zinc/98/71/62/1172987162.db2.gz OXURLXJNWYAELX-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP C[NH+](C)CCC[C@H]1C[N@H+](C[C@@H](O)CC2CCCC2)CCO1 ZINC000662321321 411688903 /nfs/dbraw/zinc/68/89/03/411688903.db2.gz BKHCROFYHRVXSX-IRXDYDNUSA-N 2 0 298.471 1.970 10 0 CDAERP CC[NH+]1CCN([C@H](C[NH3+])c2ccc(C)cc2C)CC1 ZINC000022217836 171376199 /nfs/dbraw/zinc/37/61/99/171376199.db2.gz JDKPLYMMPXKOGB-MRXNPFEDSA-N 2 0 261.413 1.941 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000653214102 412142173 /nfs/dbraw/zinc/14/21/73/412142173.db2.gz GRXWYYRZOFZRDL-CYBMUJFWSA-N 2 0 275.396 1.412 10 0 CDAERP C[C@@H]1CCCN(C(=O)c2ccc(C[NH3+])cc2)[C@@H]1CC[NH3+] ZINC000653232858 412153463 /nfs/dbraw/zinc/15/34/63/412153463.db2.gz KZBAFZLODOZJQP-IUODEOHRSA-N 2 0 275.396 1.735 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662822095 413547832 /nfs/dbraw/zinc/54/78/32/413547832.db2.gz IDJRJGIVIQVWIQ-UHFFFAOYSA-N 2 0 267.417 1.448 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662830074 413562079 /nfs/dbraw/zinc/56/20/79/413562079.db2.gz YFLMOLCMAQODTL-UHFFFAOYSA-N 2 0 287.407 1.697 10 0 CDAERP CC[NH+](CC)CCN(CCOC)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000654733944 413651112 /nfs/dbraw/zinc/65/11/12/413651112.db2.gz FVJKYEXLTLDNBH-HNNXBMFYSA-N 2 0 299.459 1.145 10 0 CDAERP CC[C@@H](C[NH+]1CCCC1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000654799918 413720336 /nfs/dbraw/zinc/72/03/36/413720336.db2.gz HHBIBKSQMZJTRB-KGLIPLIRSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)[C@@H](C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[NH+]1CCCCC1 ZINC000662945894 413724927 /nfs/dbraw/zinc/72/49/27/413724927.db2.gz WHMVNQYAOFCDEL-MCIONIFRSA-N 2 0 285.407 1.395 10 0 CDAERP C[C@H]([NH3+])CCC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000662973119 413759985 /nfs/dbraw/zinc/75/99/85/413759985.db2.gz WQASZZZRAPJRCK-LBPRGKRZSA-N 2 0 267.417 1.352 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000659479757 413868713 /nfs/dbraw/zinc/86/87/13/413868713.db2.gz CCVIENOOGWJWDJ-CQSZACIVSA-N 2 0 298.475 1.781 10 0 CDAERP CC(C)(CNC(=O)NCC12CC(C1)C[NH2+]2)C[NH+]1CCCC1 ZINC000659485385 413877174 /nfs/dbraw/zinc/87/71/74/413877174.db2.gz PTXFWUFUWSINEJ-UHFFFAOYSA-N 2 0 294.443 1.160 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)C1 ZINC000654927589 413824556 /nfs/dbraw/zinc/82/45/56/413824556.db2.gz SUGQCUOKNJSCRP-RBSFLKMASA-N 2 0 279.428 1.271 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000659511073 413907553 /nfs/dbraw/zinc/90/75/53/413907553.db2.gz NZLQORUVJUHKRB-RWMBFGLXSA-N 2 0 270.421 1.047 10 0 CDAERP C([NH2+][C@H]1CCCC[C@@H]1[C@H]1CCOC1)C12CC(C1)C[NH2+]2 ZINC000665280299 414018233 /nfs/dbraw/zinc/01/82/33/414018233.db2.gz YBWMQMNQMSFUHB-RDRUIREHSA-N 2 0 264.413 1.923 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000659562101 413976049 /nfs/dbraw/zinc/97/60/49/413976049.db2.gz YHFOGFZSEXPXPL-KFWWJZLASA-N 2 0 296.459 1.676 10 0 CDAERP C[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1cnn(C)c1)C1C[NH2+]C1 ZINC000665273523 414004210 /nfs/dbraw/zinc/00/42/10/414004210.db2.gz YPFYPKZDLBKELJ-LNSITVRQSA-N 2 0 262.401 1.329 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000659621979 414031386 /nfs/dbraw/zinc/03/13/86/414031386.db2.gz MBEXHVSGIGEKPG-RRFJBIMHSA-N 2 0 296.459 1.486 10 0 CDAERP CCN(CC)C(=O)[C@H]1CCCN1C[C@@H](O)C[N@H+](C)C(C)C ZINC000659858746 414193108 /nfs/dbraw/zinc/19/31/08/414193108.db2.gz YHGIOPOHYRVZJW-LSDHHAIUSA-N 2 0 299.459 1.020 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)NC1CC[NH+](C)CC1 ZINC000663444304 414259649 /nfs/dbraw/zinc/25/96/49/414259649.db2.gz BEQKFFHRFIBXRQ-UHFFFAOYSA-N 2 0 284.448 1.500 10 0 CDAERP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](CCF)C2)CC1 ZINC000661694138 414285105 /nfs/dbraw/zinc/28/51/05/414285105.db2.gz FGKHZIUICBQDFJ-AWEZNQCLSA-N 2 0 299.434 1.659 10 0 CDAERP C[C@@H]1CCN(Cc2nc3c(s2)C[NH2+]CC3)C[C@@H]1C[NH3+] ZINC000663496504 414293198 /nfs/dbraw/zinc/29/31/98/414293198.db2.gz HGBHOYWICDNEDD-MNOVXSKESA-N 2 0 280.441 1.206 10 0 CDAERP C[C@@H](CC[N@@H+]1CCC2(COC2)C1)[NH+]1CCC2(COC2)C1 ZINC000662073170 414499455 /nfs/dbraw/zinc/49/94/55/414499455.db2.gz FWARZVZRLRCDFK-AWEZNQCLSA-N 2 0 280.412 1.210 10 0 CDAERP COC(C)(C)CC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662152750 414540034 /nfs/dbraw/zinc/54/00/34/414540034.db2.gz ZBCFBURDIALOCX-AWEZNQCLSA-N 2 0 270.417 1.333 10 0 CDAERP C[N@@H+](Cc1ccsc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249271 414585358 /nfs/dbraw/zinc/58/53/58/414585358.db2.gz RUHPVCGJSWORKO-GFCCVEGCSA-N 2 0 252.383 1.701 10 0 CDAERP COc1cc(C[N@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)ccc1O ZINC000662249011 414585507 /nfs/dbraw/zinc/58/55/07/414585507.db2.gz NFGGXPWNDJPXCS-CYBMUJFWSA-N 2 0 292.379 1.354 10 0 CDAERP NC[C@H]([NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1)C1CCCCC1 ZINC000662276644 414607707 /nfs/dbraw/zinc/60/77/07/414607707.db2.gz KUNBXRMEQGUIIP-KBPBESRZSA-N 2 0 267.417 1.005 10 0 CDAERP C[NH+](C)CCC[C@@H]1C[N@H+](CCCCCO)CCO1 ZINC000662320785 414637530 /nfs/dbraw/zinc/63/75/30/414637530.db2.gz DPVVUXKNPITPLD-CQSZACIVSA-N 2 0 258.406 1.192 10 0 CDAERP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000040430463 174259795 /nfs/dbraw/zinc/25/97/95/174259795.db2.gz ZVMXUNZZZMYHFY-STQMWFEESA-N 2 0 277.368 1.285 10 0 CDAERP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCC[NH2+]1 ZINC000040430468 174259930 /nfs/dbraw/zinc/25/99/30/174259930.db2.gz ZVMXUNZZZMYHFY-OLZOCXBDSA-N 2 0 277.368 1.285 10 0 CDAERP CO[C@H]1C[NH2+][C@H](CN2CCC([NH+]3CCCCC3)CC2)C1 ZINC000040694406 174377925 /nfs/dbraw/zinc/37/79/25/174377925.db2.gz DCINJDZASXRPGO-GOEBONIOSA-N 2 0 281.444 1.314 10 0 CDAERP C[C@H]1CC[C@@H](C(=O)N2CCC(C[NH+](C)C)CC2)C[NH2+]1 ZINC000042388313 174705498 /nfs/dbraw/zinc/70/54/98/174705498.db2.gz QCXXIEBPAYGREC-GXTWGEPZSA-N 2 0 267.417 1.175 10 0 CDAERP CC[C@@H]([NH3+])[C@H](c1ccccn1)N1CC[NH+](C(C)C)CC1 ZINC000043339420 175013747 /nfs/dbraw/zinc/01/37/47/175013747.db2.gz FMTZUFHVIGOBLN-GDBMZVCRSA-N 2 0 276.428 1.886 10 0 CDAERP CC[C@@H]([NH3+])[C@H](c1cccnc1)N1CC[NH+](CC)CC1 ZINC000043345668 175016868 /nfs/dbraw/zinc/01/68/68/175016868.db2.gz XNIOHJKVKXDVIX-CABCVRRESA-N 2 0 262.401 1.498 10 0 CDAERP CC(C)[NH+]1CCN([C@H](c2cccnc2)[C@H](C)[NH3+])CC1 ZINC000043346784 175017457 /nfs/dbraw/zinc/01/74/57/175017457.db2.gz FXQQKHGXPBTZBX-ZFWWWQNUSA-N 2 0 262.401 1.496 10 0 CDAERP Cc1nccn1CC[N@H+](CCC(N)=[NH2+])CC(C)C ZINC000043423004 175039517 /nfs/dbraw/zinc/03/95/17/175039517.db2.gz DGBIWAPYFKVLFW-UHFFFAOYSA-N 2 0 251.378 1.476 10 0 CDAERP Nc1cc(N)[nH+]c(SCC[C@H]2CCCC[NH2+]2)n1 ZINC000043499803 175058406 /nfs/dbraw/zinc/05/84/06/175058406.db2.gz GIKMHFXBJXETKD-MRVPVSSYSA-N 2 0 253.375 1.265 10 0 CDAERP C[NH2+]C[C@H]1CCCN(C(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000043559893 175066069 /nfs/dbraw/zinc/06/60/69/175066069.db2.gz FUQARVKXEJLBHK-ZQDZILKHSA-N 2 0 281.444 1.706 10 0 CDAERP CCC[NH+]1CCN([C@H]2CCCC[C@@H]2[NH2+]CC)CC1 ZINC000043805554 175107637 /nfs/dbraw/zinc/10/76/37/175107637.db2.gz KDPRVHULTIJVKL-GJZGRUSLSA-N 2 0 253.434 1.935 10 0 CDAERP CC[NH+]1CCN([C@H](C)[C@H]([NH2+]C)c2ccc(OC)cc2)CC1 ZINC000043805841 175108332 /nfs/dbraw/zinc/10/83/32/175108332.db2.gz FIYSMHWYCGEZHU-PBHICJAKSA-N 2 0 291.439 1.982 10 0 CDAERP CC[NH2+][C@@H]1CCOC[C@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000043907875 175123483 /nfs/dbraw/zinc/12/34/83/175123483.db2.gz WLDSAUXGXMQHKS-IAGOWNOFSA-N 2 0 295.471 1.704 10 0 CDAERP CCC[C@H]([NH2+]C)[C@H](CC)N1CC[NH+](C2CC2)CC1 ZINC000043967587 175128569 /nfs/dbraw/zinc/12/85/69/175128569.db2.gz MHLDWZIZKVRXFF-GJZGRUSLSA-N 2 0 253.434 1.933 10 0 CDAERP CC[NH2+][C@H](CC)[C@@H](C)N1CC[NH+](CC2CC2)CC1 ZINC000043967952 175128989 /nfs/dbraw/zinc/12/89/89/175128989.db2.gz GMDZAWRTJQFWLM-UKRRQHHQSA-N 2 0 253.434 1.791 10 0 CDAERP CC[NH2+][C@H](CN1CC[NH+](C2CC2)CC1)C(C)(C)C ZINC000043967677 175129210 /nfs/dbraw/zinc/12/92/10/175129210.db2.gz OLMRTFYJEQOBDC-CQSZACIVSA-N 2 0 253.434 1.791 10 0 CDAERP CC[NH2+][C@H]1CCCC[C@H]1N(CCOC)[C@@H](C)COC ZINC000043975914 175132763 /nfs/dbraw/zinc/13/27/63/175132763.db2.gz YVGRSNSICKHGSS-SOUVJXGZSA-N 2 0 272.433 1.890 10 0 CDAERP CC[NH+]1CCC(C[NH2+][C@H](C)C(=O)N2CCCC2)CC1 ZINC000044518638 175190847 /nfs/dbraw/zinc/19/08/47/175190847.db2.gz ORFPBRUJLLHQPD-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP CCC[NH2+]CC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000044651190 175224788 /nfs/dbraw/zinc/22/47/88/175224788.db2.gz XCBLIXBUDNICPM-UKRRQHHQSA-N 2 0 269.433 1.613 10 0 CDAERP C[NH+]1CCN(CC[NH2+][C@@H]2CCCc3cc(O)ccc32)CC1 ZINC000044747368 175243045 /nfs/dbraw/zinc/24/30/45/175243045.db2.gz VVHGIVNMDOJUGR-QGZVFWFLSA-N 2 0 289.423 1.607 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)C1(C[NH3+])CCCCC1 ZINC000044763727 175247824 /nfs/dbraw/zinc/24/78/24/175247824.db2.gz IOKKXDYZMXGREV-CQSZACIVSA-N 2 0 281.444 1.886 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)[C@@H](C[NH3+])Cc1ccccc1 ZINC000044806053 175256502 /nfs/dbraw/zinc/25/65/02/175256502.db2.gz SMSLDNMAHJUHIG-CVEARBPZSA-N 2 0 291.439 1.506 10 0 CDAERP CCC[C@@H](C[NH3+])C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000044995401 175287335 /nfs/dbraw/zinc/28/73/35/175287335.db2.gz WPMGQLHYMOWFHQ-STQMWFEESA-N 2 0 255.406 1.352 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)C2(C[NH3+])CCCCC2)C1 ZINC000045135554 175313620 /nfs/dbraw/zinc/31/36/20/175313620.db2.gz PZYXTDAPIPJFQR-AWEZNQCLSA-N 2 0 281.444 1.742 10 0 CDAERP C[C@](CCC[NH+]1CCCCCC1)([NH2+]C1CC1)C(N)=O ZINC000045377569 175367432 /nfs/dbraw/zinc/36/74/32/175367432.db2.gz WLPCREUFEHBKKA-OAHLLOKOSA-N 2 0 267.417 1.639 10 0 CDAERP C[C@@](CCCC[NH+]1CCCCC1)([NH2+]C1CC1)C(N)=O ZINC000045378294 175367441 /nfs/dbraw/zinc/36/74/41/175367441.db2.gz QXKJXIDWHBFMEP-HNNXBMFYSA-N 2 0 267.417 1.639 10 0 CDAERP CCOC(=O)[C@](C)([NH3+])CCC[N@H+](C)C1CCN(C)CC1 ZINC000045379328 175368075 /nfs/dbraw/zinc/36/80/75/175368075.db2.gz BOJJUUPLACJGEZ-OAHLLOKOSA-N 2 0 285.432 1.073 10 0 CDAERP CC(C)C[N@H+](C)CCCC[C@@](C)([NH2+]C1CC1)C(N)=O ZINC000045380928 175370343 /nfs/dbraw/zinc/37/03/43/175370343.db2.gz UQKASIORMMXAIT-OAHLLOKOSA-N 2 0 269.433 1.741 10 0 CDAERP CCOC(=O)[C@@](C)([NH3+])CCC[N@H+](C)C1CCCC1 ZINC000045384819 175372184 /nfs/dbraw/zinc/37/21/84/175372184.db2.gz RSMYXEPYTVBGTA-AWEZNQCLSA-N 2 0 256.390 1.922 10 0 CDAERP CCOC(=O)[C@@](C)([NH3+])CCC[N@H+](C)[C@@H](C)C1CC1 ZINC000045392977 175375270 /nfs/dbraw/zinc/37/52/70/175375270.db2.gz HLDKKHVVAQGDKZ-FZMZJTMJSA-N 2 0 256.390 1.777 10 0 CDAERP CC(C)[NH2+][C@@](C)(CCC[N@H+](C)[C@@H](C)C(C)C)C(N)=O ZINC000045392197 175375336 /nfs/dbraw/zinc/37/53/36/175375336.db2.gz YLTVHNYBRXSONX-ZFWWWQNUSA-N 2 0 271.449 1.985 10 0 CDAERP C[NH+](C)CC1CC[NH+](CCC[C@@](C)(CO)[NH2+]C2CC2)CC1 ZINC000070514274 175962857 /nfs/dbraw/zinc/96/28/57/175962857.db2.gz XMGBVRBJKDBDGA-KRWDZBQOSA-N 3 0 297.487 1.543 10 0 CDAERP CCC[NH+]1CCN(Cc2ccc(CC[NH3+])cc2)CC1 ZINC000071029809 176021961 /nfs/dbraw/zinc/02/19/61/176021961.db2.gz NMCIDNSBSFVHNT-UHFFFAOYSA-N 2 0 261.413 1.715 10 0 CDAERP CC(C)[NH2+][C@H]1CCCN([C@H](C)CC[NH+](C)C)C1=O ZINC000071037255 176025968 /nfs/dbraw/zinc/02/59/68/176025968.db2.gz WUUBQGTVYHCFIB-OLZOCXBDSA-N 2 0 255.406 1.316 10 0 CDAERP C[C@@H]([NH3+])[C@@H](N(C)C[C@@H]1CC[N@H+](C)C1)C(F)(F)F ZINC000071188149 176062526 /nfs/dbraw/zinc/06/25/26/176062526.db2.gz DPJMTVCQKQCJPI-OPRDCNLKSA-N 2 0 253.312 1.148 10 0 CDAERP CC(C)[NH+]1CCC(C[NH3+])(N(C)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000071188553 176062811 /nfs/dbraw/zinc/06/28/11/176062811.db2.gz BVLAXZVIWJDYJP-HNNXBMFYSA-N 3 0 282.476 1.072 10 0 CDAERP CC[NH2+][C@H]1CCCC[C@H]1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188823 176063305 /nfs/dbraw/zinc/06/33/05/176063305.db2.gz DWPFUQWCSKHMGE-QLFBSQMISA-N 2 0 253.434 1.791 10 0 CDAERP CC[C@H]1CC[C@@H]([NH3+])[C@H](N(C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071188701 176063936 /nfs/dbraw/zinc/06/39/36/176063936.db2.gz UXNZCZFFWMWSLN-GBJTYRQASA-N 2 0 253.434 1.776 10 0 CDAERP C[N@H+](C[C@@H]1CC[NH+](C)C1)[C@@H]1CCCCCC[C@@H]1O ZINC000071190684 176068845 /nfs/dbraw/zinc/06/88/45/176068845.db2.gz YKFRDTANCGVTLL-KFWWJZLASA-N 2 0 254.418 1.954 10 0 CDAERP CC(C)C[NH2+]CC[C@H](C)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192031 176071101 /nfs/dbraw/zinc/07/11/01/176071101.db2.gz JYJJEFNQGVACJV-LSDHHAIUSA-N 2 0 255.450 1.894 10 0 CDAERP Cc1oc(C[NH3+])cc1CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191810 176071840 /nfs/dbraw/zinc/07/18/40/176071840.db2.gz SFXBYIOEXMMBMF-GFCCVEGCSA-N 2 0 251.374 1.430 10 0 CDAERP C(C[NH+]1CCCCC1)N1CCC[C@@H]([NH2+]C2CC2)C1 ZINC000071200630 176077829 /nfs/dbraw/zinc/07/78/29/176077829.db2.gz DZJPNCCPNFWRDJ-OAHLLOKOSA-N 2 0 251.418 1.689 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CN2CC[C@H]([NH2+]C3CC3)C2)C1 ZINC000071200515 176077921 /nfs/dbraw/zinc/07/79/21/176077921.db2.gz RUFNHXDQBBSTBE-HIFRSBDPSA-N 2 0 251.418 1.543 10 0 CDAERP CCC[NH+]1CCC(N2CC[C@H]([NH2+]C(C)C)C2)CC1 ZINC000071201390 176078361 /nfs/dbraw/zinc/07/83/61/176078361.db2.gz MVBPKKIEUMESKT-AWEZNQCLSA-N 2 0 253.434 1.933 10 0 CDAERP CCC[NH+]1CCC([C@@H](C)[NH2+]C[C@@H](O)COC)CC1 ZINC000071266349 176100242 /nfs/dbraw/zinc/10/02/42/176100242.db2.gz LBAFDBTYBLQHHA-TZMCWYRMSA-N 2 0 258.406 1.094 10 0 CDAERP CCN([C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000071312256 176118813 /nfs/dbraw/zinc/11/88/13/176118813.db2.gz PMNBYRIQYALMDB-DLBZAZTESA-N 2 0 273.424 1.945 10 0 CDAERP C[C@@H]1CC[C@H](C(=O)NCC[N@H+](C)C2CCCC2)C[NH2+]1 ZINC000071379396 176143360 /nfs/dbraw/zinc/14/33/60/176143360.db2.gz IQXYRHAYKOBPGI-OLZOCXBDSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)(O)C[NH+]1CCN([C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000071381592 176145578 /nfs/dbraw/zinc/14/55/78/176145578.db2.gz QPWZXVXEZKKJPE-UONOGXRCSA-N 2 0 269.433 1.035 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000418692033 298986598 /nfs/dbraw/zinc/98/65/98/298986598.db2.gz FJEBXEMHCYFRGT-KBPBESRZSA-N 2 0 298.475 1.876 10 0 CDAERP CCC[C@H](C(=O)N[C@H]1CCC[N@H+](CC)C1)[NH+](C)C ZINC000179592068 260057249 /nfs/dbraw/zinc/05/72/49/260057249.db2.gz UKYFLUTZQMIOLV-QWHCGFSZSA-N 2 0 255.406 1.317 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@]23CCC[NH2+]C3)[C@@H](C)C1 ZINC000655449289 423875741 /nfs/dbraw/zinc/87/57/41/423875741.db2.gz TVXWXYAJWMEQAG-JKQORVJESA-N 2 0 293.455 1.565 10 0 CDAERP COCC[C@@H]1CCCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662283142 423885360 /nfs/dbraw/zinc/88/53/60/423885360.db2.gz RERNECVIAAFWTJ-GJZGRUSLSA-N 2 0 282.428 1.646 10 0 CDAERP CO[C@H](C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)C1CCCC1 ZINC000662272906 423829488 /nfs/dbraw/zinc/82/94/88/423829488.db2.gz IFKKLEGIYBHYOR-JKSUJKDBSA-N 2 0 296.455 1.879 10 0 CDAERP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cn(C)nc1-c1cccnc1 ZINC000663498881 423893890 /nfs/dbraw/zinc/89/38/90/423893890.db2.gz ROIYQOFLVOQRPC-OAHLLOKOSA-N 2 0 287.411 1.945 10 0 CDAERP [NH3+]CC(=O)N1CCC[C@H](C[N@H+](CCC2CC2)CC2CC2)C1 ZINC000663502155 423896110 /nfs/dbraw/zinc/89/61/10/423896110.db2.gz CSOCCJWCNGJRIU-MRXNPFEDSA-N 2 0 293.455 1.696 10 0 CDAERP C[NH+](C)CCC[C@H]1C[N@H+](Cc2cccc(N)c2)CCO1 ZINC000662324483 423959315 /nfs/dbraw/zinc/95/93/15/423959315.db2.gz WNFRRSMOCBJUTO-INIZCTEOSA-N 2 0 277.412 1.811 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000652225028 424084805 /nfs/dbraw/zinc/08/48/05/424084805.db2.gz NSPHPVJDXPBVAP-HNNXBMFYSA-N 2 0 296.459 1.500 10 0 CDAERP C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@H](C)[NH3+] ZINC000659552415 424086117 /nfs/dbraw/zinc/08/61/17/424086117.db2.gz XYAVLJSERKWZTH-YNEHKIRRSA-N 2 0 282.432 1.428 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C2C[NH+](C3CCCCC3)C2)C1 ZINC000655243268 424042796 /nfs/dbraw/zinc/04/27/96/424042796.db2.gz VDAATHSUMMNOSP-AKAXFMLLSA-N 2 0 293.455 1.707 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)NCCC2(C[NH3+])CC2)CC[N@@H+]1C ZINC000652241211 424125144 /nfs/dbraw/zinc/12/51/44/424125144.db2.gz ZTLIVYVWGDZEDN-OLZOCXBDSA-N 2 0 282.432 1.240 10 0 CDAERP CCO[C@@H]1C[N@H+](Cc2ccc(OC)cc2)C[C@H]1C[NH3+] ZINC000405673176 424125304 /nfs/dbraw/zinc/12/53/04/424125304.db2.gz KNVQEJGFIGFJKI-UKRRQHHQSA-N 2 0 264.369 1.491 10 0 CDAERP C[C@@H](CC[NH+](C)C)NC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662480114 424125994 /nfs/dbraw/zinc/12/59/94/424125994.db2.gz PNRNIQLNMTWBGX-NSHDSACASA-N 2 0 294.399 1.212 10 0 CDAERP C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655515437 424162904 /nfs/dbraw/zinc/16/29/04/424162904.db2.gz JYUPCNJGDPVOMR-JGVFFNPUSA-N 2 0 269.311 1.016 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N1CCC(C[NH3+])CC1 ZINC000652291999 424198120 /nfs/dbraw/zinc/19/81/20/424198120.db2.gz RJXJARPRXXPDAD-UHFFFAOYSA-N 2 0 290.411 1.286 10 0 CDAERP CC/C=C\CC[NH2+]C[C@@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001667033838 1173225130 /nfs/dbraw/zinc/22/51/30/1173225130.db2.gz QFNKCKZOBJYQGG-IYKSTZQJSA-N 2 0 293.455 1.875 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000662731071 424384843 /nfs/dbraw/zinc/38/48/43/424384843.db2.gz XKBFYYBQDZNODH-BFHYXJOUSA-N 2 0 269.433 1.502 10 0 CDAERP O=C([C@@H]1CC[C@H](C2CC2)[NH2+]1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000653126016 424322480 /nfs/dbraw/zinc/32/24/80/424322480.db2.gz GMPKZPOTOQEYJW-JONQDZQNSA-N 2 0 291.439 1.508 10 0 CDAERP C[C@H](C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]([NH3+])c1ccccc1 ZINC000655488988 424504516 /nfs/dbraw/zinc/50/45/16/424504516.db2.gz KOTDSRKBXFPVBB-WMHQRMGPSA-N 2 0 289.423 1.779 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])C1 ZINC000655488758 424508582 /nfs/dbraw/zinc/50/85/82/424508582.db2.gz FXVZSKAOMXKNEI-SFDCQRBFSA-N 2 0 267.417 1.350 10 0 CDAERP C[C@H]1CC[C@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)CS1 ZINC000655763321 424477713 /nfs/dbraw/zinc/47/77/13/424477713.db2.gz NFGZTHJCHXHLAX-KBPBESRZSA-N 2 0 285.501 1.886 10 0 CDAERP CCC(C)(C)[NH+]1CCN(C(=O)C[C@H]2CC[NH2+]C2)CC1 ZINC000655495073 424542950 /nfs/dbraw/zinc/54/29/50/424542950.db2.gz RZZVUPFCSDJJLI-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP CCC[C@](C)([NH3+])C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662972186 424580456 /nfs/dbraw/zinc/58/04/56/424580456.db2.gz JEFCUUZWGQJCLZ-ZFWWWQNUSA-N 2 0 285.432 1.073 10 0 CDAERP OCC1(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000652037323 424618527 /nfs/dbraw/zinc/61/85/27/424618527.db2.gz MFYACDYPTAXISI-KGLIPLIRSA-N 2 0 252.402 1.756 10 0 CDAERP C[C@H](CC(=O)N[C@H](C[NH3+])C(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000655504366 424666440 /nfs/dbraw/zinc/66/64/40/424666440.db2.gz ARVYCQJTPSDEGN-KXUCPTDWSA-N 2 0 281.322 1.018 10 0 CDAERP CCC[NH2+]CC[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001667301926 1173252308 /nfs/dbraw/zinc/25/23/08/1173252308.db2.gz MOZPSBWQUZRCAW-OAHLLOKOSA-N 2 0 293.455 1.853 10 0 CDAERP OCc1ccc(F)c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000530220475 271161091 /nfs/dbraw/zinc/16/10/91/271161091.db2.gz NCFYZHVBXLRFCP-OKILXGFUSA-N 2 0 278.371 1.749 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CC12CCSCC2 ZINC000423567216 277589414 /nfs/dbraw/zinc/58/94/14/277589414.db2.gz ZXGMRZGBKQFIJG-OLZOCXBDSA-N 2 0 272.458 1.863 10 0 CDAERP C[C@@H](CC[NH2+]CCC1CC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001668308638 1173394782 /nfs/dbraw/zinc/39/47/82/1173394782.db2.gz APLWDIFSMHTGQO-JSGCOSHPSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CCC2CCS(=O)(=O)CC2)CC[N@@H+]1C ZINC000358296143 278025649 /nfs/dbraw/zinc/02/56/49/278025649.db2.gz DRBPAJJPCWEWDL-TZMCWYRMSA-N 2 0 288.457 1.274 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000232814434 278220945 /nfs/dbraw/zinc/22/09/45/278220945.db2.gz IJUCWXFIAJLZIN-GXTWGEPZSA-N 2 0 279.428 1.365 10 0 CDAERP CC(C)(C)C1CCC([NH2+]C[C@H]2C[NH2+]C[C@H]2O)CC1 ZINC000263319164 278301778 /nfs/dbraw/zinc/30/17/78/278301778.db2.gz ZYXVQZROINRHOY-BLYZHGLHSA-N 2 0 254.418 1.761 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000261558549 278315716 /nfs/dbraw/zinc/31/57/16/278315716.db2.gz YKKBPDYFZMRTOM-KGLIPLIRSA-N 2 0 261.413 1.976 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000417000556 279158024 /nfs/dbraw/zinc/15/80/24/279158024.db2.gz CZNBYHVADYDTJX-YNEHKIRRSA-N 2 0 270.421 1.109 10 0 CDAERP CC(C)C[C@H]([NH3+])C[NH2+][C@@H](C)[C@@H](C)N1CCOCC1 ZINC000415080930 279180470 /nfs/dbraw/zinc/18/04/70/279180470.db2.gz MJYXJOVJDXICIY-MJBXVCDLSA-N 2 0 257.422 1.059 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000092630117 279326646 /nfs/dbraw/zinc/32/66/46/279326646.db2.gz BHKTWAULLYPDPU-HZSPNIEDSA-N 2 0 267.417 1.304 10 0 CDAERP CC[N@@H+]1CC[C@H](CN[C@@H]2C[C@@H](C)[NH+](C3CC3)C2)C1 ZINC000222052770 280093937 /nfs/dbraw/zinc/09/39/37/280093937.db2.gz QMJWEFWWWQAKGQ-MGPQQGTHSA-N 2 0 251.418 1.543 10 0 CDAERP CC[C@@H]1CN(CC[NH+]2CCC(C)CC2)CC[N@@H+]1C[C@H](C)O ZINC000246645235 280296538 /nfs/dbraw/zinc/29/65/38/280296538.db2.gz LAQICDQKROPGPV-DLBZAZTESA-N 2 0 297.487 1.495 10 0 CDAERP CN(C(=O)c1ccccc1CC[NH3+])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000518208033 281016286 /nfs/dbraw/zinc/01/62/86/281016286.db2.gz NXQMMXFDJNJZHL-OAHLLOKOSA-N 2 0 287.407 1.497 10 0 CDAERP CC(C)[NH2+]CCCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000519813303 281041920 /nfs/dbraw/zinc/04/19/20/281041920.db2.gz IWELVYWKHAUHAV-CQSZACIVSA-N 2 0 282.432 1.253 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)N2CCC[N@H+](C)CC2)CC1 ZINC000335380985 289100968 /nfs/dbraw/zinc/10/09/68/289100968.db2.gz KCMDQHOMBYFYGG-UHFFFAOYSA-N 2 0 296.459 1.454 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000418111664 289786899 /nfs/dbraw/zinc/78/68/99/289786899.db2.gz AFMMWADYORCPAB-ZSVAQUKISA-N 2 0 268.405 1.038 10 0 CDAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C[NH+]1CCCC1 ZINC000553334637 290113409 /nfs/dbraw/zinc/11/34/09/290113409.db2.gz XLCNAAQGURGBNQ-KBPBESRZSA-N 2 0 267.417 1.176 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC000553492139 290121909 /nfs/dbraw/zinc/12/19/09/290121909.db2.gz TZQBIIAHFHUTDY-HZPDHXFCSA-N 2 0 293.455 1.663 10 0 CDAERP CN1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1=O ZINC000424371542 290196024 /nfs/dbraw/zinc/19/60/24/290196024.db2.gz FYJQJFVCHMCJFG-CAOSSQGBSA-N 2 0 293.455 1.755 10 0 CDAERP O=C(NC[C@H]1CCC[NH2+]C1)NC1CC([NH+]2CCCCC2)C1 ZINC000561199924 293062438 /nfs/dbraw/zinc/06/24/38/293062438.db2.gz UYEPNMYBTAIPHI-NFOMZHRRSA-N 2 0 294.443 1.302 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C1CCC(F)(F)CC1 ZINC000423017544 293095171 /nfs/dbraw/zinc/09/51/71/293095171.db2.gz WNGNLCKHGJWHID-NSHDSACASA-N 2 0 250.333 1.908 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCNc1cccc(C)n1 ZINC000422924520 293096141 /nfs/dbraw/zinc/09/61/41/293096141.db2.gz YVCPAAQFSPDGNO-ZDUSSCGKSA-N 2 0 266.389 1.145 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](C)N1CCC(C)CC1 ZINC000422781466 293096208 /nfs/dbraw/zinc/09/62/08/293096208.db2.gz KSPJQXQRESRKKJ-CABCVRRESA-N 2 0 271.449 1.450 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423021613 293097660 /nfs/dbraw/zinc/09/76/60/293097660.db2.gz CNUXBVKNYIAKPZ-GBJTYRQASA-N 2 0 282.428 1.678 10 0 CDAERP FC1(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)CC1 ZINC000562747870 293190378 /nfs/dbraw/zinc/19/03/78/293190378.db2.gz FWECIQMJFGKAOO-UHFFFAOYSA-N 2 0 255.381 1.295 10 0 CDAERP CCC1(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CCCCC1 ZINC000563011052 293243904 /nfs/dbraw/zinc/24/39/04/293243904.db2.gz GOCWQJFYNUBYQI-INIZCTEOSA-N 2 0 297.487 1.545 10 0 CDAERP COC[C@](C)(O)CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000453246046 293261868 /nfs/dbraw/zinc/26/18/68/293261868.db2.gz CIYCSSHCQLZOEG-APIJFGDWSA-N 2 0 270.417 1.236 10 0 CDAERP C[C@H](CCC[NH3+])NC(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000564957439 293469851 /nfs/dbraw/zinc/46/98/51/293469851.db2.gz PEHWSCNMGTVGIP-MFKMUULPSA-N 2 0 267.348 1.112 10 0 CDAERP C[C@H]([NH3+])CCC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000567822945 293880229 /nfs/dbraw/zinc/88/02/29/293880229.db2.gz BJLCAVMPOOABBM-NSHDSACASA-N 2 0 253.390 1.104 10 0 CDAERP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000569241103 294180848 /nfs/dbraw/zinc/18/08/48/294180848.db2.gz KTGQGFULPFGUIK-LHIUVBILSA-N 2 0 291.439 1.365 10 0 CDAERP C[C@@H](NCC[NH+]1CCC(C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000570389169 294227798 /nfs/dbraw/zinc/22/77/98/294227798.db2.gz REWZDUNHQVFGMP-HUUCEWRRSA-N 2 0 253.434 1.696 10 0 CDAERP C[C@H](NCC[NH+]1CCC(C)CC1)[C@H]1CCC[NH2+]C1 ZINC000570389168 294228067 /nfs/dbraw/zinc/22/80/67/294228067.db2.gz REWZDUNHQVFGMP-GJZGRUSLSA-N 2 0 253.434 1.696 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)CCCC[NH3+])[C@H](C)C1 ZINC000570400488 294232085 /nfs/dbraw/zinc/23/20/85/294232085.db2.gz ZNTPRCGUEANPMT-CHWSQXEVSA-N 2 0 255.406 1.304 10 0 CDAERP CC[NH2+]Cc1ccccc1NC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000570683616 294288756 /nfs/dbraw/zinc/28/87/56/294288756.db2.gz YAJBTPWHOZZIIJ-BBRMVZONSA-N 2 0 273.380 1.734 10 0 CDAERP CC(C)[NH2+]CCCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000572958717 294723618 /nfs/dbraw/zinc/72/36/18/294723618.db2.gz FWQPOLOEPZEBTK-DVOMOZLQSA-N 2 0 297.443 1.023 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000574924055 295077793 /nfs/dbraw/zinc/07/77/93/295077793.db2.gz RGRBSSPCEWCEBS-IMJJTQAJSA-N 2 0 287.407 1.387 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000261651789 295314794 /nfs/dbraw/zinc/31/47/94/295314794.db2.gz DOTQEPBKFYTDGP-BFHYXJOUSA-N 2 0 265.401 1.201 10 0 CDAERP C[C@H](CNC(=O)N[C@H]1CC[NH2+]C[C@@H]1C)C[NH+]1CCCCC1 ZINC000417191898 298739817 /nfs/dbraw/zinc/73/98/17/298739817.db2.gz MYDAULXETBXQQV-ILXRZTDVSA-N 2 0 296.459 1.406 10 0 CDAERP C[C@H]([NH3+])CCC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000193305790 298953469 /nfs/dbraw/zinc/95/34/69/298953469.db2.gz SSKCBQOIAFGGCQ-STQMWFEESA-N 2 0 255.406 1.350 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418407815 303398794 /nfs/dbraw/zinc/39/87/94/303398794.db2.gz MBWNSWYKGJDYBD-KKUMJFAQSA-N 2 0 290.411 1.503 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000228221772 303472944 /nfs/dbraw/zinc/47/29/44/303472944.db2.gz QJZRCUGINOQHNB-MJBXVCDLSA-N 2 0 265.401 1.201 10 0 CDAERP CCCC[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001670144245 1173657093 /nfs/dbraw/zinc/65/70/93/1173657093.db2.gz MKLUUVQLSNOBEH-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH2+]C/C=C/Cl ZINC001670357422 1173675114 /nfs/dbraw/zinc/67/51/14/1173675114.db2.gz FEZQIDILQAXLFG-FNORWQNLSA-N 2 0 275.824 1.517 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001671674851 1173702554 /nfs/dbraw/zinc/70/25/54/1173702554.db2.gz PXJHAVXJOBJABT-ZFWWWQNUSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)C1 ZINC000563727849 316363308 /nfs/dbraw/zinc/36/33/08/316363308.db2.gz ZRBOSBSRVJFQPC-HOCLYGCPSA-N 2 0 293.455 1.519 10 0 CDAERP C[NH+](C)CCNC(=O)C1CC[NH+](CC2(C)CC2)CC1 ZINC000564193465 316431291 /nfs/dbraw/zinc/43/12/91/316431291.db2.gz MOFFHSVWKZTERB-UHFFFAOYSA-N 2 0 267.417 1.176 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)[C@@H](C)C1 ZINC000577624525 317370322 /nfs/dbraw/zinc/37/03/22/317370322.db2.gz MSVMOCTXTFAHNO-KKUMJFAQSA-N 2 0 281.444 1.517 10 0 CDAERP CC[NH+]1CCC(CC[NH2+][C@H]2CCCS(=O)(=O)C2)CC1 ZINC000183031474 323315553 /nfs/dbraw/zinc/31/55/53/323315553.db2.gz HRPYTEKBRMHYNE-AWEZNQCLSA-N 2 0 288.457 1.275 10 0 CDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCCn2ccnc2)CC1 ZINC000183175537 323323751 /nfs/dbraw/zinc/32/37/51/323323751.db2.gz MDEUAIQZDKBBBS-HNNXBMFYSA-N 2 0 294.443 1.298 10 0 CDAERP CC[C@H](Cn1cncn1)[NH2+]CC1CC[NH+](CC)CC1 ZINC000580011211 324340817 /nfs/dbraw/zinc/34/08/17/324340817.db2.gz VSGIEROEEPIXGF-CQSZACIVSA-N 2 0 265.405 1.378 10 0 CDAERP CCCC1CCC([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CC1 ZINC000580416539 324456221 /nfs/dbraw/zinc/45/62/21/324456221.db2.gz KGSCNQNFOIQTIB-JCYILVPMSA-N 2 0 297.487 1.543 10 0 CDAERP CC(C)[NH2+]CCCNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000581992557 324876935 /nfs/dbraw/zinc/87/69/35/324876935.db2.gz YQTJVYHNDOHKTJ-LBPRGKRZSA-N 2 0 255.406 1.269 10 0 CDAERP O=C(Nc1ccc2c(c1)C[NH2+]C2)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000582240923 324937743 /nfs/dbraw/zinc/93/77/43/324937743.db2.gz SBETVDAYEOLMJP-QXMXGUDHSA-N 2 0 299.374 1.043 10 0 CDAERP CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000582651730 325015882 /nfs/dbraw/zinc/01/58/82/325015882.db2.gz WDYQJPKNDBVVDY-ZDUSSCGKSA-N 2 0 272.352 1.481 10 0 CDAERP CC(C)OCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001673928204 1173898550 /nfs/dbraw/zinc/89/85/50/1173898550.db2.gz CLCHUCOZEWWXDU-GJZGRUSLSA-N 2 0 299.459 1.188 10 0 CDAERP C[C@H]1C[C@@H](N(C)C(=O)c2ccccc2CC[NH3+])CC[N@@H+]1C ZINC000582972601 325081060 /nfs/dbraw/zinc/08/10/60/325081060.db2.gz UZQLXNHTHWVEQR-ZFWWWQNUSA-N 2 0 289.423 1.743 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000583563243 325199991 /nfs/dbraw/zinc/19/99/91/325199991.db2.gz JGKLZNNOCUCHBB-WUHRBBMRSA-N 2 0 270.421 1.236 10 0 CDAERP OCC1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000584124245 327046213 /nfs/dbraw/zinc/04/62/13/327046213.db2.gz ZEOZALRFUYHCMZ-UHFFFAOYSA-N 2 0 260.381 1.537 10 0 CDAERP CC(C)=CC[NH2+]CCN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001691477024 1159334696 /nfs/dbraw/zinc/33/46/96/1159334696.db2.gz WFLLQLIJRDIBKR-UHFFFAOYSA-N 2 0 283.460 1.979 10 0 CDAERP C[N@H+](CCCNC(=O)CC1([NH3+])CC1)Cc1ccccc1 ZINC000398168585 482245455 /nfs/dbraw/zinc/24/54/55/482245455.db2.gz NLOPKPBGPVRQRX-UHFFFAOYSA-N 2 0 275.396 1.506 10 0 CDAERP OC1CCC(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000300698991 482308105 /nfs/dbraw/zinc/30/81/05/482308105.db2.gz QRHIHCNPYPAJNF-FUUBYGMNSA-N 2 0 252.402 1.754 10 0 CDAERP C[C@H](CO)C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000678044713 482395773 /nfs/dbraw/zinc/39/57/73/482395773.db2.gz FALJUAUTCCJZIV-HRCADAONSA-N 2 0 283.460 1.105 10 0 CDAERP CC(C)[NH+]1CCC(N2CC[NH+](C[C@@H](C)CO)CC2)CC1 ZINC000678046842 482402593 /nfs/dbraw/zinc/40/25/93/482402593.db2.gz SWFQRDSUOKBDGO-OAHLLOKOSA-N 2 0 283.460 1.105 10 0 CDAERP [NH3+][C@@H]1CCC[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000446407236 482473741 /nfs/dbraw/zinc/47/37/41/482473741.db2.gz VOWKYWISAWRNBN-VJTDZRGJSA-N 2 0 265.401 1.293 10 0 CDAERP C[C@@H]1C[C@H](C[NH+]2CCN(C(=O)CC(C)(C)C)CC2)CC[NH2+]1 ZINC000666619081 482485402 /nfs/dbraw/zinc/48/54/02/482485402.db2.gz VOUQCIRCQQXIMA-HUUCEWRRSA-N 2 0 295.471 1.955 10 0 CDAERP CN(C(=O)[C@@H]1C[C@H]1c1cncn1C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000668599307 482486689 /nfs/dbraw/zinc/48/66/89/482486689.db2.gz SSUVYINHQUQNSU-MGPQQGTHSA-N 2 0 288.395 1.219 10 0 CDAERP [NH3+]C/C=C\CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000668665809 482498713 /nfs/dbraw/zinc/49/87/13/482498713.db2.gz YQCQWRLUROOMKW-XVWMLYKFSA-N 2 0 288.395 1.075 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC(C)([NH3+])CC1 ZINC000669286322 482648194 /nfs/dbraw/zinc/64/81/94/482648194.db2.gz HKMILGSMWXHSGM-GFCCVEGCSA-N 2 0 270.421 1.240 10 0 CDAERP COC1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CCOCC1 ZINC000671754058 482660206 /nfs/dbraw/zinc/66/02/06/482660206.db2.gz QRGCBACOOXLPFN-RBSFLKMASA-N 2 0 282.428 1.644 10 0 CDAERP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CCC(=O)N1 ZINC000093516610 482718037 /nfs/dbraw/zinc/71/80/37/482718037.db2.gz CBJHXHSUKTVXEC-AVGNSLFASA-N 2 0 253.390 1.165 10 0 CDAERP CC[N@H+](CCNC(=O)NC/C=C\C[NH3+])CCC(F)(F)F ZINC000669569987 482723522 /nfs/dbraw/zinc/72/35/22/482723522.db2.gz KCLDCEDTQFVQLZ-ARJAWSKDSA-N 2 0 296.337 1.075 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC[N@@H+]1C ZINC000237565441 482731347 /nfs/dbraw/zinc/73/13/47/482731347.db2.gz XLGTYFZWAVQDLU-XQHKEYJVSA-N 2 0 253.390 1.055 10 0 CDAERP CO[C@@H]1CCC[C@@H]([NH2+]CCN2CCC([NH+](C)C)CC2)C1 ZINC000684390821 482788446 /nfs/dbraw/zinc/78/84/46/482788446.db2.gz NFWDXPPHZBWKGM-GDBMZVCRSA-N 2 0 283.460 1.560 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccn(C)c(=O)c2)[C@@H](C)C1 ZINC000673714075 482823063 /nfs/dbraw/zinc/82/30/63/482823063.db2.gz BLHLQXHILKGCCR-ZFWWWQNUSA-N 2 0 277.412 1.547 10 0 CDAERP CC[NH+](CC)CCn1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000404920844 482848957 /nfs/dbraw/zinc/84/89/57/482848957.db2.gz IEJZMIFTWKAMER-GFCCVEGCSA-N 2 0 251.378 1.087 10 0 CDAERP COC[C@H]1CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667621548 482869677 /nfs/dbraw/zinc/86/96/77/482869677.db2.gz NTXYWJIPJUTVSK-ZDUSSCGKSA-N 2 0 272.352 1.736 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CNC[C@H]1CCCC[NH2+]1 ZINC000666770107 482912292 /nfs/dbraw/zinc/91/22/92/482912292.db2.gz LBAXJPSOZUJQMX-OAHLLOKOSA-N 2 0 285.395 1.807 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000666853068 482950933 /nfs/dbraw/zinc/95/09/33/482950933.db2.gz BJMXEKLDEXLKEV-LSDHHAIUSA-N 3 0 285.395 1.935 10 0 CDAERP C[NH+](C)Cc1cccc(NC(=O)COC2(C)C[NH2+]C2)c1 ZINC000098061647 483005245 /nfs/dbraw/zinc/00/52/45/483005245.db2.gz SVAMARTWVIGKDC-UHFFFAOYSA-N 2 0 277.368 1.065 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666954274 483017691 /nfs/dbraw/zinc/01/76/91/483017691.db2.gz SVLSRFSAKCUMJX-MRXNPFEDSA-N 3 0 297.406 1.807 10 0 CDAERP O=C1c2ccccc2C(=O)N1CC[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666954312 483018239 /nfs/dbraw/zinc/01/82/39/483018239.db2.gz UIBGAVAPOHYBDS-CQSZACIVSA-N 2 0 299.374 1.014 10 0 CDAERP C[C@@H]([NH2+][C@H]1CCc2nc[nH]c2C1)C1CC[NH+](C)CC1 ZINC000685662425 483204449 /nfs/dbraw/zinc/20/44/49/483204449.db2.gz RAWFHPQQNUUWLH-YPMHNXCESA-N 2 0 262.401 1.587 10 0 CDAERP Cc1cc(C)n2c(C[NH2+][C@H]3CCC[C@@H]([NH3+])C3)cnc2n1 ZINC000414907105 483293875 /nfs/dbraw/zinc/29/38/75/483293875.db2.gz AJUVHBDAGIMINA-OLZOCXBDSA-N 2 0 273.384 1.706 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000136344452 483394092 /nfs/dbraw/zinc/39/40/92/483394092.db2.gz XUZCFAOPTRXEMJ-JKSUJKDBSA-N 2 0 289.423 1.751 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000136428551 483403298 /nfs/dbraw/zinc/40/32/98/483403298.db2.gz OQDHDDZEIZILDM-RYUDHWBXSA-N 2 0 283.441 1.840 10 0 CDAERP CCC[NH+]1CCC(NC(=O)C[C@@H]([NH3+])C(C)C)CC1 ZINC000136429585 483403310 /nfs/dbraw/zinc/40/33/10/483403310.db2.gz OBFFYBCQWWPFNS-CYBMUJFWSA-N 2 0 255.406 1.350 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CO[C@H](C3CC3)C2)[C@H](C)C1 ZINC000667877033 483469519 /nfs/dbraw/zinc/46/95/19/483469519.db2.gz BUGPIVICTHTZNU-UNQGMJICSA-N 2 0 252.402 1.874 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)[NH2+]Cc1cccc(F)c1 ZINC001409364633 1160822555 /nfs/dbraw/zinc/82/25/55/1160822555.db2.gz AGCJKKFDXSWBLZ-CHWSQXEVSA-N 2 0 295.402 1.760 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])CC[C@@H]2C)CC1 ZINC000055132128 519724620 /nfs/dbraw/zinc/72/46/20/519724620.db2.gz IYQXAEGJWNKSNK-KKUMJFAQSA-N 2 0 281.444 1.550 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)[C@H]2[NH2+]CCC[C@H]2C)CC1 ZINC000055082581 519724817 /nfs/dbraw/zinc/72/48/17/519724817.db2.gz WNHBSFCOTQHNMP-KGLIPLIRSA-N 2 0 267.417 1.175 10 0 CDAERP CC(C)[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)C[C@@H]2CCCO2)O1 ZINC000052541066 519725138 /nfs/dbraw/zinc/72/51/38/519725138.db2.gz YPSSRCDKCRAVBC-ILXRZTDVSA-N 2 0 270.417 1.643 10 0 CDAERP CC(C)[NH2+]Cc1cn(CC[N@H+](C)[C@H](C)C(C)C)nn1 ZINC000052478529 519728623 /nfs/dbraw/zinc/72/86/23/519728623.db2.gz JSADTEWFYLSTKG-CYBMUJFWSA-N 2 0 267.421 1.752 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC[C@@H](O)C[NH+]1CCCC1 ZINC000049555643 519775686 /nfs/dbraw/zinc/77/56/86/519775686.db2.gz VGKLNVFLOCLXTP-LSDHHAIUSA-N 2 0 271.449 1.009 10 0 CDAERP CC[NH2+]CCC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000061296785 519916413 /nfs/dbraw/zinc/91/64/13/519916413.db2.gz BOLCSLVCNWHXDY-UHFFFAOYSA-N 2 0 269.433 1.757 10 0 CDAERP CCC[NH2+][C@@H](CN1CC[NH+](C2CC2)CC1)C1CC1 ZINC000069074266 520009385 /nfs/dbraw/zinc/00/93/85/520009385.db2.gz GRAYWIKSUYAVKW-HNNXBMFYSA-N 2 0 251.418 1.545 10 0 CDAERP CC1CC[NH+](CCNC(=O)[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000055089404 521015237 /nfs/dbraw/zinc/01/52/37/521015237.db2.gz CKTAPWXJLWJIAC-UONOGXRCSA-N 2 0 267.417 1.352 10 0 CDAERP Cc1ncc(C[NH2+]CCN(C)C(=O)C[N@@H+](C)C(C)C)s1 ZINC001714798171 1179402167 /nfs/dbraw/zinc/40/21/67/1179402167.db2.gz RKJWBPVKGQAYON-UHFFFAOYSA-N 2 0 298.456 1.340 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)C1([NH3+])CCCCC1 ZINC000061645042 521829452 /nfs/dbraw/zinc/82/94/52/521829452.db2.gz KQRPZRDTIMKTNY-LBPRGKRZSA-N 2 0 253.390 1.201 10 0 CDAERP CCC[NH2+]CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001715683733 1179763234 /nfs/dbraw/zinc/76/32/34/1179763234.db2.gz OSNGGVMFTQEILW-CHWSQXEVSA-N 2 0 255.406 1.223 10 0 CDAERP C[NH+](C)CCCCC(=O)NC[C@@H]1CC[N@H+](CCF)C1 ZINC001731855283 1182627881 /nfs/dbraw/zinc/62/78/81/1182627881.db2.gz BCVXBGFFWBQLJF-ZDUSSCGKSA-N 2 0 273.396 1.126 10 0 CDAERP C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CCF)CC1 ZINC001411237331 1161985431 /nfs/dbraw/zinc/98/54/31/1161985431.db2.gz PQYINXULQAKQOM-KGLIPLIRSA-N 2 0 299.434 1.514 10 0 CDAERP C(CN1CCC[N@@H+]2CCC[C@@H]2C1)[NH2+]CC1CCCC1 ZINC000062942579 518389498 /nfs/dbraw/zinc/38/94/98/518389498.db2.gz KJXSWBODGJBRHX-MRXNPFEDSA-N 2 0 265.445 1.936 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)[C@H]1CCC[C@H]([NH3+])[C@H]1C ZINC000055131910 519623693 /nfs/dbraw/zinc/62/36/93/519623693.db2.gz HMTIBLIKGAOYIZ-AVGNSLFASA-N 2 0 255.406 1.206 10 0 CDAERP CC(C)[NH+]1CCN(C(=O)[C@@H]2CCC[C@H](CC[NH3+])C2)CC1 ZINC000055147733 519680143 /nfs/dbraw/zinc/68/01/43/519680143.db2.gz QRNZZBYNBMSKHX-HUUCEWRRSA-N 2 0 281.444 1.694 10 0 CDAERP CC(C)[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)C2CCOCC2)O1 ZINC000052481265 519725181 /nfs/dbraw/zinc/72/51/81/519725181.db2.gz LORJUFIWMOXZRM-CABCVRRESA-N 2 0 270.417 1.643 10 0 CDAERP CC(C)C[NH+]1CCN([C@@H]2C[C@H](C)CC[C@@H]2[NH3+])CC1 ZINC000055079052 519728009 /nfs/dbraw/zinc/72/80/09/519728009.db2.gz QGDWOHMJCFUBAG-QLFBSQMISA-N 2 0 253.434 1.776 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)c1c[nH+]c(NN)c(Cl)c1 ZINC000051116519 519793561 /nfs/dbraw/zinc/79/35/61/519793561.db2.gz SLXKYXLGXNXKDG-LLVKDONJSA-N 2 0 299.806 1.337 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NS(=O)(=O)c1cccc(C[NH3+])c1 ZINC000049204810 519793734 /nfs/dbraw/zinc/79/37/34/519793734.db2.gz BEAHLRLKGGUEKE-CQSZACIVSA-N 2 0 299.440 1.010 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)[C@H]1CCC[C@@H](C)[NH2+]1 ZINC000049225448 519814197 /nfs/dbraw/zinc/81/41/97/519814197.db2.gz NFJJIAUIRPUXKT-UPJWGTAASA-N 2 0 255.406 1.219 10 0 CDAERP CC(C)[C@H](C[NH2+]C1CC1)N1CC[NH+](C(C)C)CC1 ZINC000052479959 519815900 /nfs/dbraw/zinc/81/59/00/519815900.db2.gz GVQVLBJFYZXIHG-HNNXBMFYSA-N 2 0 253.434 1.789 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000236771488 519842967 /nfs/dbraw/zinc/84/29/67/519842967.db2.gz ZLZAGPTXEJUQFQ-UONOGXRCSA-N 2 0 267.417 1.352 10 0 CDAERP CCC[NH+]1CCN(C(=O)CC2CCC([NH3+])CC2)CC1 ZINC000055124555 519855649 /nfs/dbraw/zinc/85/56/49/519855649.db2.gz MOMFPBRPMLQQSF-UHFFFAOYSA-N 2 0 267.417 1.448 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000061296645 519904055 /nfs/dbraw/zinc/90/40/55/519904055.db2.gz UDZZRZXQYKLHPH-UHFFFAOYSA-N 2 0 283.460 1.955 10 0 CDAERP CC[NH2+]CCC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000061298245 519916130 /nfs/dbraw/zinc/91/61/30/519916130.db2.gz OFQJMECNTVLUBO-HIFRSBDPSA-N 2 0 269.433 1.613 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000061265947 519933095 /nfs/dbraw/zinc/93/30/95/519933095.db2.gz PJRHYZQKRIPVLC-ZIAGYGMSSA-N 2 0 267.417 1.319 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)CCc2ccncc2)O1 ZINC000052483147 519977480 /nfs/dbraw/zinc/97/74/80/519977480.db2.gz ZCGPHWMXCJYVNH-CVEARBPZSA-N 2 0 277.412 1.713 10 0 CDAERP CCC[NH2+][C@@H](CN1CCC([NH+](C)C)CC1)C1CC1 ZINC000069073919 520008290 /nfs/dbraw/zinc/00/82/90/520008290.db2.gz WHXXZXUKXKNLBN-HNNXBMFYSA-N 2 0 253.434 1.791 10 0 CDAERP CCC[NH2+][C@@H]1CCC[C@@H]1N1CCN(CC[NH+](C)C)CC1 ZINC000061644030 520022471 /nfs/dbraw/zinc/02/24/71/520022471.db2.gz WPFUXVUBDBHYBR-CVEARBPZSA-N 2 0 282.476 1.086 10 0 CDAERP CCCC[N@H+](CCO)CC1(C[NH2+]C)CCOCC1 ZINC000052182700 520523332 /nfs/dbraw/zinc/52/33/32/520523332.db2.gz JMFVUUPMBCMQCL-UHFFFAOYSA-N 2 0 258.406 1.097 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@@H]1[C@H](C)CCC[C@@H]1[NH3+] ZINC000055123420 520618692 /nfs/dbraw/zinc/61/86/92/520618692.db2.gz FHGBOCBTECYDHJ-HZSPNIEDSA-N 2 0 269.433 1.598 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@H]1C[C@@H]([NH3+])CC[C@@H]1C ZINC000055123418 520619071 /nfs/dbraw/zinc/61/90/71/520619071.db2.gz NLRXDHIDAPYBAW-IHRRRGAJSA-N 2 0 269.433 1.598 10 0 CDAERP CC[NH+](CC)CCNC(=O)[C@H]1C[C@H]([NH3+])CC[C@@H]1C ZINC000055122996 520680957 /nfs/dbraw/zinc/68/09/57/520680957.db2.gz IYGWYDNJMQZANG-XQQFMLRXSA-N 2 0 255.406 1.208 10 0 CDAERP CCCC[C@](CC)(C[NH3+])N1CCN(CC[NH+](C)C)CC1 ZINC000069380905 521256324 /nfs/dbraw/zinc/25/63/24/521256324.db2.gz ZUPLFDBPDYIYRX-MRXNPFEDSA-N 2 0 284.492 1.463 10 0 CDAERP CC[N@H+](Cc1ccco1)CC1(C[NH3+])CCOCC1 ZINC000052197635 521397640 /nfs/dbraw/zinc/39/76/40/521397640.db2.gz MLUNZIUNKWWPEV-UHFFFAOYSA-N 2 0 252.358 1.857 10 0 CDAERP CC[NH+]1CCC(N(C)c2ncc(C[NH2+]C)s2)CC1 ZINC000054908101 521570488 /nfs/dbraw/zinc/57/04/88/521570488.db2.gz IVUDGYZFUWRLEA-UHFFFAOYSA-N 2 0 268.430 1.783 10 0 CDAERP CCCN(CC[NH+](C)C)Cc1cc(C)c(C[NH3+])o1 ZINC000052544212 521657006 /nfs/dbraw/zinc/65/70/06/521657006.db2.gz ZSCCXDUZDNPGNN-UHFFFAOYSA-N 2 0 253.390 1.820 10 0 CDAERP CCC[N@H+](CCO)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052182907 521667159 /nfs/dbraw/zinc/66/71/59/521667159.db2.gz CUACDVBSINIBNZ-UHFFFAOYSA-N 2 0 270.417 1.240 10 0 CDAERP CC[NH+]1CCN(Cc2[nH+]c(NN)ccc2Cl)CC1 ZINC000061638889 521689529 /nfs/dbraw/zinc/68/95/29/521689529.db2.gz VOSPHCKBCQOMPN-UHFFFAOYSA-N 2 0 269.780 1.158 10 0 CDAERP C[NH+](C)CCN1CCN(C[C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000061653803 521763920 /nfs/dbraw/zinc/76/39/20/521763920.db2.gz IRXFJZAUGFZOPX-HZPDHXFCSA-N 2 0 282.476 1.073 10 0 CDAERP C[NH+](C)CCN1CCN(CC[NH2+]C2CCCCC2)CC1 ZINC000061655306 521764568 /nfs/dbraw/zinc/76/45/68/521764568.db2.gz INRPQNHXFHLWFC-UHFFFAOYSA-N 2 0 282.476 1.088 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1c1ncc(C[NH3+])cc1Cl ZINC000061654336 521846031 /nfs/dbraw/zinc/84/60/31/521846031.db2.gz GCQNYMYKKYPQAI-NSHDSACASA-N 2 0 268.792 1.724 10 0 CDAERP C[NH2+]CC1(CN2CC[C@@H]([NH+]3CCCC3)C2)CCCC1 ZINC000062970442 521971322 /nfs/dbraw/zinc/97/13/22/521971322.db2.gz NFKSFJMBIQTEMX-OAHLLOKOSA-N 2 0 265.445 1.936 10 0 CDAERP C[NH2+]C[C@H](C)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000052417102 522069980 /nfs/dbraw/zinc/06/99/80/522069980.db2.gz TYYAQGIUWPDPAB-HNNXBMFYSA-N 2 0 261.413 1.660 10 0 CDAERP C[NH2+]Cc1cn(CC[N@@H+]2CCC[C@H]3CCCC[C@@H]32)nn1 ZINC000052482552 522143569 /nfs/dbraw/zinc/14/35/69/522143569.db2.gz PXPJDWXSNHRZSG-HIFRSBDPSA-N 2 0 277.416 1.652 10 0 CDAERP CC[C@H]([NH3+])[C@@H](c1cccnc1)N1CC[C@H]([NH+](C)C)C1 ZINC000062964217 522340334 /nfs/dbraw/zinc/34/03/34/522340334.db2.gz KHHMQIDHWYZXMM-SOUVJXGZSA-N 2 0 262.401 1.496 10 0 CDAERP CN(C1CC[NH+](C)CC1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000069265485 522414829 /nfs/dbraw/zinc/41/48/29/522414829.db2.gz ODLIGKFBBVHJRB-MRXNPFEDSA-N 2 0 259.397 1.857 10 0 CDAERP C[NH2+][C@@](C)(C[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1)C(=O)[O-] ZINC000068632287 522416701 /nfs/dbraw/zinc/41/67/01/522416701.db2.gz WYCFFJHKQWOOAT-DOMZBBRYSA-N 2 0 285.432 1.101 10 0 CDAERP CN[C@@](C)(C[C@H](C)[N@H+](C)CC1CC[NH+](C)CC1)C(=O)OC ZINC000068646429 522419643 /nfs/dbraw/zinc/41/96/43/522419643.db2.gz PVVMSZMOFHSGLN-BBRMVZONSA-N 2 0 299.459 1.190 10 0 CDAERP C[NH2+][C@H]1CCCc2nc(N3CCC[N@H+](C)CC3)sc21 ZINC000054899113 522499596 /nfs/dbraw/zinc/49/95/96/522499596.db2.gz YETXBCQQXWOCMY-NSHDSACASA-N 2 0 280.441 1.882 10 0 CDAERP C[NH2+][C@](C)(CCCC[NH+]1Cc2ccccc2C1)C(N)=O ZINC000050912345 522514209 /nfs/dbraw/zinc/51/42/09/522514209.db2.gz YNGVGUWYDIOJOY-MRXNPFEDSA-N 2 0 275.396 1.636 10 0 CDAERP CN[C@](C)(C[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1)C(=O)OC ZINC000068632249 522520090 /nfs/dbraw/zinc/52/00/90/522520090.db2.gz LNVBOLODAXPDHF-CZUORRHYSA-N 2 0 299.459 1.190 10 0 CDAERP CN(CCC[NH3+])C(=O)CC[NH+]1Cc2ccccc2C1 ZINC000050910459 522741856 /nfs/dbraw/zinc/74/18/56/522741856.db2.gz CELVQQVBHDFWBI-UHFFFAOYSA-N 2 0 261.369 1.200 10 0 CDAERP CN(CC[NH+]1CCCC1)[C@@H](C[NH3+])c1ccsc1 ZINC000063050723 522827896 /nfs/dbraw/zinc/82/78/96/522827896.db2.gz LPEHMRLVRQGYQW-ZDUSSCGKSA-N 2 0 253.415 1.776 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000069267531 523072379 /nfs/dbraw/zinc/07/23/79/523072379.db2.gz LXFAXNLMXAEXII-CZUORRHYSA-N 2 0 259.397 1.714 10 0 CDAERP COCC[N@H+](C)CCN1CC[C@@H](C[NH2+]CC(C)C)C1 ZINC000061379300 523584973 /nfs/dbraw/zinc/58/49/73/523584973.db2.gz FPPFNDJSGSVVHX-HNNXBMFYSA-N 2 0 271.449 1.132 10 0 CDAERP COCC[N@H+](CCC[C@@H]1CCCC[NH2+]1)[C@@H](C)COC ZINC000050953734 523696504 /nfs/dbraw/zinc/69/65/04/523696504.db2.gz JPLBRJCFDYGXRV-GJZGRUSLSA-N 2 0 272.433 1.892 10 0 CDAERP CC[C@H](C)C[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000357349311 523886680 /nfs/dbraw/zinc/88/66/80/523886680.db2.gz IPAMGEICIGNVIG-KBPBESRZSA-N 2 0 271.449 1.715 10 0 CDAERP CN(C(=O)[C@@H]1CCC[C@@H](CC[NH3+])C1)C1CC[NH+](C)CC1 ZINC000055145653 523897739 /nfs/dbraw/zinc/89/77/39/523897739.db2.gz XPJIVNQOVNSHQR-UONOGXRCSA-N 2 0 281.444 1.694 10 0 CDAERP COCC[NH2+]CCCCN1CC[NH+](CC(C)C)CC1 ZINC000055075984 523936167 /nfs/dbraw/zinc/93/61/67/523936167.db2.gz LVQZKMJGSRGDQG-UHFFFAOYSA-N 2 0 271.449 1.276 10 0 CDAERP CN(C(=O)c1ccc2c[nH+]cn2c1)[C@H]1C[NH+]2CCC1CC2 ZINC000339935856 523940202 /nfs/dbraw/zinc/94/02/02/523940202.db2.gz XSFJSYLCMYLBRG-HNNXBMFYSA-N 2 0 284.363 1.501 10 0 CDAERP CC[C@H](C)[NH+]1CCN(c2ccc(C[NH2+]C(C)C)nn2)CC1 ZINC000055073446 523960447 /nfs/dbraw/zinc/96/04/47/523960447.db2.gz NTVQVSLSLSDVAR-AWEZNQCLSA-N 2 0 291.443 1.895 10 0 CDAERP C[C@@H](C(=O)N1CCC([NH+]2CCCC2)CC1)[C@H](C)[NH3+] ZINC000156691104 524101118 /nfs/dbraw/zinc/10/11/18/524101118.db2.gz PMYOUMIHAOAIMR-NEPJUHHUSA-N 2 0 253.390 1.057 10 0 CDAERP C[C@H]1CC[C@@H]([NH3+])C[C@@H]1C(=O)NCC[NH+]1CCCCC1 ZINC000055138380 524362582 /nfs/dbraw/zinc/36/25/82/524362582.db2.gz RMVSSEIQKDLNDQ-MJBXVCDLSA-N 2 0 267.417 1.352 10 0 CDAERP C[C@@H](CCC[NH2+]C1CC1)[NH+]1CCN(c2ncccn2)CC1 ZINC000052418502 524458000 /nfs/dbraw/zinc/45/80/00/524458000.db2.gz QZNFEHIWVSKNBS-AWEZNQCLSA-N 2 0 289.427 1.519 10 0 CDAERP Cc1cccc(N2CC[NH+](C[C@@H]3CC[C@@H](C[NH3+])O3)CC2)c1 ZINC000052418943 524558311 /nfs/dbraw/zinc/55/83/11/524558311.db2.gz HPOSUQAKFBRXBX-IRXDYDNUSA-N 2 0 289.423 1.623 10 0 CDAERP C[C@@H]1CC[C@H](C(=O)NCC(C)(C)[NH+](C)C)C[C@@H]1[NH3+] ZINC000055141680 524631658 /nfs/dbraw/zinc/63/16/58/524631658.db2.gz OGFJXQGHDBEBAK-WOPDTQHZSA-N 2 0 255.406 1.206 10 0 CDAERP C[C@@H]1C[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2C)CC[C@@H]1[NH3+] ZINC000055138630 525188159 /nfs/dbraw/zinc/18/81/59/525188159.db2.gz TZJNLVAYLAMYDK-RFGFWPKPSA-N 2 0 267.417 1.350 10 0 CDAERP C[C@]1(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC[NH2+]C1 ZINC000261990657 525243619 /nfs/dbraw/zinc/24/36/19/525243619.db2.gz KGSMTNHCGGRVSN-HOCLYGCPSA-N 2 0 279.428 1.320 10 0 CDAERP Cc1cc([C@H](C[NH3+])N2CC[C@H]([NH+](C)C)C2)ccc1F ZINC000062964530 525535823 /nfs/dbraw/zinc/53/58/23/525535823.db2.gz SJECTLAVTGYHCZ-ZFWWWQNUSA-N 2 0 265.376 1.770 10 0 CDAERP C[C@@H]([C@H]([NH3+])c1ccccc1)N1CCN(CC[NH+](C)C)CC1 ZINC000061643900 526024359 /nfs/dbraw/zinc/02/43/59/526024359.db2.gz BLGBVDSFYSJVQV-RDJZCZTQSA-N 2 0 290.455 1.254 10 0 CDAERP O=C(NCC[NH+]1CCCCC1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000049575460 526307632 /nfs/dbraw/zinc/30/76/32/526307632.db2.gz HSDNUVMHABMTRJ-ILXRZTDVSA-N 2 0 279.428 1.509 10 0 CDAERP c1cnc(N2CC[NH+](CCCC[NH2+]C3CC3)CC2)nc1 ZINC000052418426 526542168 /nfs/dbraw/zinc/54/21/68/526542168.db2.gz OKZMMVWNFIGYJU-UHFFFAOYSA-N 2 0 275.400 1.131 10 0 CDAERP Cc1oc(CN2CC[NH+](CC(C)C)CC2)cc1C[NH3+] ZINC000055082647 526770641 /nfs/dbraw/zinc/77/06/41/526770641.db2.gz KOIBXIADSIVIKB-UHFFFAOYSA-N 2 0 265.401 1.820 10 0 CDAERP [NH3+]C1CCC(CC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]23)CC1 ZINC000055139242 527138922 /nfs/dbraw/zinc/13/89/22/527138922.db2.gz ASLBCPCRRQFMIF-PQAZSJQKSA-N 2 0 265.401 1.247 10 0 CDAERP [NH3+]CC1CCC(C(=O)NCC[NH+]2CCCCC2)CC1 ZINC000055162461 527164567 /nfs/dbraw/zinc/16/45/67/527164567.db2.gz LQAFXWHMNNUIJQ-UHFFFAOYSA-N 2 0 267.417 1.354 10 0 CDAERP [NH3+]CCCC[NH+]1CCN(CCCOCC(F)(F)F)CC1 ZINC000049312088 527175580 /nfs/dbraw/zinc/17/55/80/527175580.db2.gz KZHMXMXKMDFGRN-UHFFFAOYSA-N 2 0 297.365 1.312 10 0 CDAERP [NH3+]Cc1c(N2CC[NH+](CC3CC3)CC2)nc2ccccn21 ZINC000048995553 527243634 /nfs/dbraw/zinc/24/36/34/527243634.db2.gz NMBQNLPEDHACPQ-UHFFFAOYSA-N 2 0 285.395 1.325 10 0 CDAERP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC000055123541 527342851 /nfs/dbraw/zinc/34/28/51/527342851.db2.gz XXFGJZPQHYRZBH-MGPQQGTHSA-N 2 0 265.401 1.104 10 0 CDAERP [NH3+][C@H]1CCCC[C@H]1CC(=O)NCC[NH+]1CCCC1 ZINC000055131628 527395918 /nfs/dbraw/zinc/39/59/18/527395918.db2.gz XYKXEDNWBFBHQP-STQMWFEESA-N 2 0 253.390 1.106 10 0 CDAERP CC[NH+]1CCC(NC(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000236855909 535472177 /nfs/dbraw/zinc/47/21/77/535472177.db2.gz OSQHVZJIMQYTBU-LSDHHAIUSA-N 2 0 281.444 1.885 10 0 CDAERP CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000414805795 535643220 /nfs/dbraw/zinc/64/32/20/535643220.db2.gz AWMKLYPDABJFIC-NEPJUHHUSA-N 2 0 284.425 1.619 10 0 CDAERP CC[NH+]1CCN(c2cccc(F)c2CC[NH3+])CC1 ZINC000071573399 535749464 /nfs/dbraw/zinc/74/94/64/535749464.db2.gz MFVNJUUIOBDSSS-UHFFFAOYSA-N 2 0 251.349 1.469 10 0 CDAERP CCc1nn(C)cc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000252784703 535828580 /nfs/dbraw/zinc/82/85/80/535828580.db2.gz UGNDLQUJGYYJHN-NUEKZKHPSA-N 2 0 276.428 1.993 10 0 CDAERP CC(C)C[C@H]([NH2+][C@H]1CC[C@@H]1C1CC1)C(=O)NCC[NH+](C)C ZINC000348367358 538287336 /nfs/dbraw/zinc/28/73/36/538287336.db2.gz CHSNTPHJGHDXMO-PMPSAXMXSA-N 2 0 295.471 1.857 10 0 CDAERP C[C@@H]1C[N@H+](C)C[C@H]1NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000756117571 576978241 /nfs/dbraw/zinc/97/82/41/576978241.db2.gz CLAOHRIXHAMWPG-VNQPRFMTSA-N 2 0 281.444 1.170 10 0 CDAERP CC(C)(C)OC(=O)[C@H]1C[NH2+]CC12CC[NH+](C1CC1)CC2 ZINC000757184899 577034128 /nfs/dbraw/zinc/03/41/28/577034128.db2.gz NQCVOUQEGCAWJX-CYBMUJFWSA-N 2 0 280.412 1.792 10 0 CDAERP CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001689052577 1175088376 /nfs/dbraw/zinc/08/83/76/1175088376.db2.gz OANFZOUWSMXQEW-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP C[NH+]1CCN(CCC[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925521329 617433578 /nfs/dbraw/zinc/43/35/78/617433578.db2.gz UGJSPTAKZCCBLZ-CABCVRRESA-N 3 0 282.476 1.120 10 0 CDAERP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1cn(C)cn1 ZINC000926686792 617448314 /nfs/dbraw/zinc/44/83/14/617448314.db2.gz QTRSUPYNOGLCJW-UONOGXRCSA-N 2 0 281.448 1.343 10 0 CDAERP COc1ccc([C@H](O)C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925538890 617478744 /nfs/dbraw/zinc/47/87/44/617478744.db2.gz UNBRSNLNNJQCOR-KFWWJZLASA-N 2 0 276.380 1.588 10 0 CDAERP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000926358458 617499139 /nfs/dbraw/zinc/49/91/39/617499139.db2.gz ZDLYZEINDSDDLB-FICVDOATSA-N 2 0 283.460 1.273 10 0 CDAERP CNC(=O)C(C)(C)C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925606365 617548578 /nfs/dbraw/zinc/54/85/78/617548578.db2.gz IWCJSIKMGINZKJ-ZIAGYGMSSA-N 2 0 281.444 1.517 10 0 CDAERP CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925627145 617574303 /nfs/dbraw/zinc/57/43/03/617574303.db2.gz UCYDMUMCXZZBLR-POQQGIQPSA-N 2 0 279.428 1.267 10 0 CDAERP CC1(C)[C@H]([NH2+][C@H]2CCn3ccnc3C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925642337 617585577 /nfs/dbraw/zinc/58/55/77/617585577.db2.gz FZVPMQLWEKRPRR-MYZSUADSSA-N 2 0 274.412 1.564 10 0 CDAERP CC1(C)CO[C@H](CC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000925776378 617668192 /nfs/dbraw/zinc/66/81/92/617668192.db2.gz XVPFNYLGWKWVSL-FXUDXRNXSA-N 2 0 296.455 1.938 10 0 CDAERP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)C1CCOCC1 ZINC000925783415 617701822 /nfs/dbraw/zinc/70/18/22/617701822.db2.gz NWMJCGLYPLZQFH-ZYHUDNBSSA-N 2 0 262.344 1.636 10 0 CDAERP CC1(C)[C@@H]([NH2+][C@@H]2CC[C@H](C(N)=O)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925695417 617721609 /nfs/dbraw/zinc/72/16/09/617721609.db2.gz WJIVQEKMCKEMBZ-QWQWKMKNSA-N 2 0 265.401 1.007 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1nccc2c1CCCC2 ZINC000925808032 617748059 /nfs/dbraw/zinc/74/80/59/617748059.db2.gz XDUCAMRIDJNLCO-CQSZACIVSA-N 2 0 277.412 1.804 10 0 CDAERP C[N@@H+]1CC[C@@H]2C[NH+](CCOC3CCOCC3)C[C@@H]2C1 ZINC000931441248 617839441 /nfs/dbraw/zinc/83/94/41/617839441.db2.gz FSHSYBGVQYABCL-KGLIPLIRSA-N 2 0 268.401 1.066 10 0 CDAERP CCn1nncc1C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925720708 617844883 /nfs/dbraw/zinc/84/48/83/617844883.db2.gz HSUWLUPXQZXPNX-GHMZBOCLSA-N 2 0 251.378 1.294 10 0 CDAERP C[C@H]([NH2+]CCc1cnc2ccccc2c1)C1C[NH2+]C1 ZINC000925835545 617864259 /nfs/dbraw/zinc/86/42/59/617864259.db2.gz RBZGPQDONRYWJF-LBPRGKRZSA-N 2 0 255.365 1.975 10 0 CDAERP CCC[NH+]1CCC(NC[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000925844238 617877624 /nfs/dbraw/zinc/87/76/24/617877624.db2.gz WZIOVRDVGDHMKH-HZPDHXFCSA-N 2 0 265.445 1.983 10 0 CDAERP COCC[C@H]1CCC[C@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925845721 617880272 /nfs/dbraw/zinc/88/02/72/617880272.db2.gz IEHHODWTTGPNAR-IAGOWNOFSA-N 2 0 297.487 1.857 10 0 CDAERP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@H]2CCC[C@H]2[NH3+])C1 ZINC000925881624 617966599 /nfs/dbraw/zinc/96/65/99/617966599.db2.gz JYFKUMJBEXXPFH-WCVJEAGWSA-N 3 0 259.397 1.515 10 0 CDAERP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@@H](O)Cc1ccccc1)C2 ZINC000923426638 618332873 /nfs/dbraw/zinc/33/28/73/618332873.db2.gz OURAVANYGJUOSI-HRCADAONSA-N 2 0 260.381 1.131 10 0 CDAERP C[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)CC1 ZINC000928098905 618497444 /nfs/dbraw/zinc/49/74/44/618497444.db2.gz ZWWVDJGRXRQZDG-UONOGXRCSA-N 2 0 297.468 1.024 10 0 CDAERP CC(C)c1c[nH]c(CN(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC000894767302 619051540 /nfs/dbraw/zinc/05/15/40/619051540.db2.gz ZOJWGVNBSHJETB-UHFFFAOYSA-N 2 0 281.448 1.458 10 0 CDAERP Cc1ccnc(N)c1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000894984161 619184152 /nfs/dbraw/zinc/18/41/52/619184152.db2.gz IOUQUFOCWWLCBY-ZDUSSCGKSA-N 2 0 262.401 1.794 10 0 CDAERP COC(=O)[C@@H]1[C@@H](C[NH2+]CC[C@H]2CCC[N@H+](C)C2)C1(F)F ZINC000894986093 619185222 /nfs/dbraw/zinc/18/52/22/619185222.db2.gz RGBVTYIBAZXMCY-UTUOFQBUSA-N 2 0 290.354 1.362 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N[C@H]2CCC[N@H+](C)C2)C1 ZINC000749562132 619310163 /nfs/dbraw/zinc/31/01/63/619310163.db2.gz GQHXANZCYITYIN-RDBSUJKOSA-N 2 0 282.432 1.253 10 0 CDAERP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccns1 ZINC000925118930 619378299 /nfs/dbraw/zinc/37/82/99/619378299.db2.gz VNPIQOBXVRKKJP-JTQLQIEISA-N 2 0 255.387 1.250 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCN1C(C)(C)C ZINC000895888917 619885738 /nfs/dbraw/zinc/88/57/38/619885738.db2.gz ZAHPNVDBIMCAOX-RYUDHWBXSA-N 2 0 253.390 1.070 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000896261022 620038206 /nfs/dbraw/zinc/03/82/06/620038206.db2.gz YCNXMTXJWMBZRH-CABCVRRESA-N 2 0 279.428 1.558 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902796017 625415060 /nfs/dbraw/zinc/41/50/60/625415060.db2.gz KZIHIIBPVBEDQF-VCCANDMLSA-N 2 0 293.455 1.025 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2ccnnc2)CC1 ZINC000924670303 621647634 /nfs/dbraw/zinc/64/76/34/621647634.db2.gz MBOSMUOMXHSZRG-ZIAGYGMSSA-N 2 0 277.416 1.153 10 0 CDAERP C[C@H](NC(=[NH2+])NCC[NH+]1CCCCCC1)C1CC1 ZINC000899266350 622130831 /nfs/dbraw/zinc/13/08/31/622130831.db2.gz SBTRUUCNRPPDIE-LBPRGKRZSA-N 2 0 252.406 1.775 10 0 CDAERP CC(C)[NH+](CCNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC000900012401 622618413 /nfs/dbraw/zinc/61/84/13/622618413.db2.gz GENBBCWTFJITBA-UHFFFAOYSA-N 2 0 267.417 1.317 10 0 CDAERP CC1(C)CC(NC(=O)C23CC[NH+](CC2)C3)CC(C)(C)[NH2+]1 ZINC000900069087 622671850 /nfs/dbraw/zinc/67/18/50/622671850.db2.gz CYTQHURHAASAGD-UHFFFAOYSA-N 2 0 279.428 1.508 10 0 CDAERP C[NH+](C)C[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC000900564367 623236442 /nfs/dbraw/zinc/23/64/42/623236442.db2.gz URDDPXWKDOJHDH-ZDUSSCGKSA-N 2 0 265.401 1.025 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000900586155 623296123 /nfs/dbraw/zinc/29/61/23/623296123.db2.gz IDZWFPIUEDDMBO-LSDHHAIUSA-N 2 0 281.444 1.804 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000900959075 623726630 /nfs/dbraw/zinc/72/66/30/623726630.db2.gz UFSSNEZXLRBWGZ-STQMWFEESA-N 2 0 265.401 1.071 10 0 CDAERP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@]12C[C@H]1COC21CCC1 ZINC000902461764 624852854 /nfs/dbraw/zinc/85/28/54/624852854.db2.gz RKXRFOXLLSEKSH-IBEHDNSVSA-N 2 0 276.424 1.923 10 0 CDAERP c1ccc(C[NH+]2CCC(N[C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)CC2)nc1 ZINC000902468483 624861013 /nfs/dbraw/zinc/86/10/13/624861013.db2.gz UJGXBGRFHRJBGO-USXIJHARSA-N 2 0 286.423 1.529 10 0 CDAERP C1CC1[C@H]1COC[C@@H]1[NH2+][C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000902517554 624917252 /nfs/dbraw/zinc/91/72/52/624917252.db2.gz JJXBCKLSHDDVJT-QRJUGERDSA-N 2 0 264.413 1.922 10 0 CDAERP CCO[C@H]1C[C@@H](O)C12CC[NH+](C[C@@H]1C[NH2+]C[C@H]1C)CC2 ZINC000903438963 625992139 /nfs/dbraw/zinc/99/21/39/625992139.db2.gz AAKQRHUJLBKTCE-BARDWOONSA-N 2 0 282.428 1.094 10 0 CDAERP CCO[C@@H]1C[C@@H](O)C12CC[NH+](C[C@@H]1CC[C@H]([NH3+])C1)CC2 ZINC000903440089 625992507 /nfs/dbraw/zinc/99/25/07/625992507.db2.gz SDSACHIEOKPTMS-LXTVHRRPSA-N 2 0 282.428 1.366 10 0 CDAERP CCCNC(=O)C1([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)CCCCC1 ZINC000903441474 625992937 /nfs/dbraw/zinc/99/29/37/625992937.db2.gz UEICWRHQWOKRBF-KGLIPLIRSA-N 2 0 281.444 1.933 10 0 CDAERP CCN(CC)CC[N@H+](CCOC)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903445149 625998675 /nfs/dbraw/zinc/99/86/75/625998675.db2.gz YZRYHWBVNQBVSG-CABCVRRESA-N 2 0 271.449 1.404 10 0 CDAERP C(C[NH2+][C@H]1CC[NH2+]C12CCC2)CO[C@H]1CCOC1 ZINC000903470324 626003699 /nfs/dbraw/zinc/00/36/99/626003699.db2.gz KYAXVFMNOOUEEM-STQMWFEESA-N 2 0 254.374 1.056 10 0 CDAERP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000903490858 626010688 /nfs/dbraw/zinc/01/06/88/626010688.db2.gz KLSFLMDFPOKQBQ-HRCADAONSA-N 2 0 260.381 1.230 10 0 CDAERP CCc1noc([C@H](C)[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)n1 ZINC000903495920 626011822 /nfs/dbraw/zinc/01/18/22/626011822.db2.gz BXZALAMHRZAIFP-OUAUKWLOSA-N 2 0 252.362 1.610 10 0 CDAERP COCC[C@H](C)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903508416 626012534 /nfs/dbraw/zinc/01/25/34/626012534.db2.gz GBBUUEURDUTBCH-CWRNSKLLSA-N 2 0 281.444 1.312 10 0 CDAERP [NH3+][C@@H]1CN(CC[C@H]2CCC[NH2+]C2)CC[C@@H]1C(F)(F)F ZINC000903540128 626015902 /nfs/dbraw/zinc/01/59/02/626015902.db2.gz NNVGXDXVDRGEDA-GRYCIOLGSA-N 2 0 279.350 1.588 10 0 CDAERP C([NH2+]C1CCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1)C1CC1 ZINC000903716894 626061835 /nfs/dbraw/zinc/06/18/35/626061835.db2.gz DHIHSSCUIGIGAR-SJORKVTESA-N 2 0 293.455 1.219 10 0 CDAERP C(C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)OC1CCSCC1 ZINC000903743411 626080408 /nfs/dbraw/zinc/08/04/08/626080408.db2.gz JXYPANFQVGDNHS-AWEZNQCLSA-N 2 0 270.442 1.584 10 0 CDAERP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000903778371 626090793 /nfs/dbraw/zinc/09/07/93/626090793.db2.gz LYTZLBLTTFWABU-XGUBFFRZSA-N 2 0 282.453 1.440 10 0 CDAERP C([C@H]1C[C@@]12CCOC2)[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903819900 626102475 /nfs/dbraw/zinc/10/24/75/626102475.db2.gz PNBMTTSVPVYTQZ-HUUCEWRRSA-N 2 0 280.412 1.258 10 0 CDAERP C(C[N@@H+]1CCCSC[C@H]1C1CC1)N1CC[NH2+]CC1 ZINC000903827498 626105484 /nfs/dbraw/zinc/10/54/84/626105484.db2.gz UPZCSKQSDFCRSS-AWEZNQCLSA-N 2 0 269.458 1.109 10 0 CDAERP O=C1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]2CCCC[C@H]2N1 ZINC000903890042 626124232 /nfs/dbraw/zinc/12/42/32/626124232.db2.gz YMGWDCFGVJAUCE-ARQSVGKCSA-N 2 0 277.412 1.260 10 0 CDAERP CCC[NH+](CCC)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903873567 626127855 /nfs/dbraw/zinc/12/78/55/626127855.db2.gz SNNQAMQNFOAMFX-CYBMUJFWSA-N 2 0 265.405 1.825 10 0 CDAERP CCOC(=O)N[C@H]1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903883451 626132487 /nfs/dbraw/zinc/13/24/87/626132487.db2.gz HNOJANBPKWSVSQ-DKUMPPAJSA-N 2 0 295.427 1.728 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CC[C@H](C)C2)cnn1C ZINC000903886647 626133385 /nfs/dbraw/zinc/13/33/85/626133385.db2.gz SQFOZQLGBGFLDB-AAEUAGOBSA-N 2 0 250.390 1.188 10 0 CDAERP CC[C@H]1C[N@H+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)CCCO1 ZINC000903908879 626143138 /nfs/dbraw/zinc/14/31/38/626143138.db2.gz AIUDLNIYNLLULV-ZBFHGGJFSA-N 2 0 294.443 1.347 10 0 CDAERP C[N@H+](CCc1cnccn1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903909890 626143588 /nfs/dbraw/zinc/14/35/88/626143588.db2.gz HTMQGTALDNSCED-AGUYFDCRSA-N 2 0 260.385 1.482 10 0 CDAERP O=C1C[C@]2(CC[N@H+](Cc3cccc4c3CC[NH2+]C4)C2)CN1 ZINC000903913351 626145378 /nfs/dbraw/zinc/14/53/78/626145378.db2.gz OPVSFVUNMXHJCE-QGZVFWFLSA-N 2 0 285.391 1.044 10 0 CDAERP COC(=O)[C@H]1C[C@@H](OC)CC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903913853 626146133 /nfs/dbraw/zinc/14/61/33/626146133.db2.gz DYTSIBSIYJXQJW-OLMTUDMXSA-N 2 0 296.411 1.169 10 0 CDAERP Cc1ccccc1CC[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903921092 626147081 /nfs/dbraw/zinc/14/70/81/626147081.db2.gz MTTSLBWZUXOGSY-MRXNPFEDSA-N 2 0 299.422 1.843 10 0 CDAERP [NH3+][C@H](CNc1ccc([C@H]2C[NH2+]CCO2)cc1)CC(F)F ZINC000903933807 626153056 /nfs/dbraw/zinc/15/30/56/626153056.db2.gz VXFVPDSZVSZCLZ-WCQYABFASA-N 2 0 285.338 1.742 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)cnn1C ZINC000903935983 626153959 /nfs/dbraw/zinc/15/39/59/626153959.db2.gz WZIYFINLDUNSHW-XTWPYSKKSA-N 2 0 280.416 1.001 10 0 CDAERP COC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CCCOC1 ZINC000903959675 626159393 /nfs/dbraw/zinc/15/93/93/626159393.db2.gz MGWWIISSRGZWJD-DGAVXFQQSA-N 2 0 256.390 1.288 10 0 CDAERP C[C@H](C[C@H]1CCC[NH2+]1)NC[C@H]1C[NH2+]CCC1(F)F ZINC000903955735 626167018 /nfs/dbraw/zinc/16/70/18/626167018.db2.gz AVJPMNXBMNZQLE-IJLUTSLNSA-N 2 0 261.360 1.351 10 0 CDAERP CC[N@@H+]1CC[C@H](NC[C@@H]2C[NH2+]CCC2(F)F)[C@@H](C)C1 ZINC000903956386 626167458 /nfs/dbraw/zinc/16/74/58/626167458.db2.gz KKDNRXHBNLGXEM-AVGNSLFASA-N 2 0 275.387 1.551 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)C[C@@H]1C ZINC000903963546 626171131 /nfs/dbraw/zinc/17/11/31/626171131.db2.gz ARDXOYJFRLLIIR-RYMFRWLXSA-N 2 0 268.401 1.552 10 0 CDAERP [NH3+][C@H](CC(F)F)CN1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903983825 626173500 /nfs/dbraw/zinc/17/35/00/626173500.db2.gz MJNIUNYJIDORQO-CSMHCCOUSA-N 2 0 275.265 1.180 10 0 CDAERP CC[NH+](CC)CCCNC(=[NH2+])NC[C@@H]1CCCS1 ZINC000905041870 626381432 /nfs/dbraw/zinc/38/14/32/626381432.db2.gz NCKYFXZOTRBOLJ-LBPRGKRZSA-N 2 0 272.462 1.728 10 0 CDAERP C[C@H](CNC(=[NH2+])NC[C@H]1CCCS1)C[NH+]1CCCC1 ZINC000905043647 626383009 /nfs/dbraw/zinc/38/30/09/626383009.db2.gz XJKDYDPCDFSAMI-CHWSQXEVSA-N 2 0 284.473 1.728 10 0 CDAERP C[N@H+]1CC=C(CNC(=[NH2+])NC[C@@H]2CCCS2)CC1 ZINC000905045153 626383757 /nfs/dbraw/zinc/38/37/57/626383757.db2.gz CDJZGMDMIIOAKQ-LBPRGKRZSA-N 2 0 268.430 1.258 10 0 CDAERP C[N@H+](Cc1cn(-c2ccc(C[NH3+])cc2)nn1)C(C)(C)C ZINC000905059529 626609134 /nfs/dbraw/zinc/60/91/34/626609134.db2.gz UTEVSDJYAWHVJO-UHFFFAOYSA-N 2 0 273.384 1.956 10 0 CDAERP CC(C)C[C@H](C[NH3+])Cc1nc(CC2CC[NH2+]CC2)no1 ZINC000905309229 626758593 /nfs/dbraw/zinc/75/85/93/626758593.db2.gz WFTBDTQORLDJAN-ZDUSSCGKSA-N 2 0 280.416 1.775 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H]2C[NH+](C)C)C1 ZINC000906522605 627303950 /nfs/dbraw/zinc/30/39/50/627303950.db2.gz CGCFSTUXNAOIFE-GJZGRUSLSA-N 2 0 281.444 1.661 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)NC(=O)C[C@]1(O)CCC[NH+](C)C1 ZINC000908308143 628136167 /nfs/dbraw/zinc/13/61/67/628136167.db2.gz VHULSWWQNVVBLL-GOEBONIOSA-N 2 0 299.459 1.070 10 0 CDAERP C[C@@H]1C[C@H](C[NH2+]Cc2cccnc2-n2ccnc2)CC[NH2+]1 ZINC000841095437 629177457 /nfs/dbraw/zinc/17/74/57/629177457.db2.gz GCHINZWMRKFPEV-ZIAGYGMSSA-N 2 0 285.395 1.745 10 0 CDAERP [NH3+]CC1CCC([NH2+]Cc2cccnc2-n2ccnc2)CC1 ZINC000841096582 629648124 /nfs/dbraw/zinc/64/81/24/629648124.db2.gz YTNPIMLCNQICQQ-UHFFFAOYSA-N 2 0 285.395 1.874 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC000912047122 629752849 /nfs/dbraw/zinc/75/28/49/629752849.db2.gz IOXGGZRWBIVBQP-XQLPTFJDSA-N 2 0 279.428 1.460 10 0 CDAERP CC[C@H](C(=O)N[C@@]1(C)C[NH+]2CCC1CC2)[NH+](CC)CC ZINC000912377928 629950789 /nfs/dbraw/zinc/95/07/89/629950789.db2.gz HAUQULTZMRETPY-ZBFHGGJFSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1CC[NH+](C)C)[NH+](C)C ZINC000912648039 630125336 /nfs/dbraw/zinc/12/53/36/630125336.db2.gz CSLYYJVKRJCAJW-HZSPNIEDSA-N 2 0 269.433 1.658 10 0 CDAERP C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+]3C3CC3)C[C@@]2(C)C1 ZINC000913278968 630422506 /nfs/dbraw/zinc/42/25/06/630422506.db2.gz NNRFNMUITXCPDT-BHYGNILZSA-N 2 0 291.439 1.413 10 0 CDAERP CCC(C)(C)[NH2+][C@H](C)C(=O)NC12CC[NH+](CC1)C2 ZINC000913633073 630725591 /nfs/dbraw/zinc/72/55/91/630725591.db2.gz KXIMUWDWERPSCR-LLVKDONJSA-N 2 0 253.390 1.118 10 0 CDAERP CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@H]1CC ZINC001670594597 1158654999 /nfs/dbraw/zinc/65/49/99/1158654999.db2.gz CMXDFMOTUDWXCK-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP CCCCOCCN1CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001670672941 1158684738 /nfs/dbraw/zinc/68/47/38/1158684738.db2.gz SILGPLPGGKSUKG-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CC[N@H+](CCNC(=O)C[NH+]1CCCC1)CC1CCC1 ZINC001691052156 1158840364 /nfs/dbraw/zinc/84/03/64/1158840364.db2.gz HGTQQZQSOGBWBP-UHFFFAOYSA-N 2 0 267.417 1.320 10 0 CDAERP O=C(N[C@H]1C[C@@H]([NH2+]CCCF)C1)C12CCC[NH+](CCC1)C2 ZINC001690343192 1175445254 /nfs/dbraw/zinc/44/52/54/1175445254.db2.gz JSAAKUDSMLIJBQ-OKILXGFUSA-N 2 0 297.418 1.459 10 0 CDAERP CCCC[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001649460929 1158590760 /nfs/dbraw/zinc/59/07/60/1158590760.db2.gz BTAPCRQSTBPBJL-OLZOCXBDSA-N 2 0 255.406 1.175 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000226407638 1158757003 /nfs/dbraw/zinc/75/70/03/1158757003.db2.gz CGEAMBZCPDRVFH-STQMWFEESA-N 2 0 255.406 1.352 10 0 CDAERP CN(C[C@@H]1CC[N@@H+]1CC1CC1)C(=O)C[NH+]1CCCC1 ZINC001691416648 1159062488 /nfs/dbraw/zinc/06/24/88/1159062488.db2.gz NWDJXPVEGAOWBR-AWEZNQCLSA-N 2 0 265.401 1.025 10 0 CDAERP CCCC[NH2+]C[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267047260 1159098397 /nfs/dbraw/zinc/09/83/97/1159098397.db2.gz MIOAWDGFOQQEFL-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001691441109 1159218079 /nfs/dbraw/zinc/21/80/79/1159218079.db2.gz YRFQITHZECFJCT-IMJJTQAJSA-N 2 0 293.455 1.613 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC2)C1 ZINC001691481825 1159375734 /nfs/dbraw/zinc/37/57/34/1159375734.db2.gz UYAUJTDKRWGYDR-OKILXGFUSA-N 2 0 267.417 1.221 10 0 CDAERP CC(C)C[C@@H](C[NH2+]C(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001271310942 1160320860 /nfs/dbraw/zinc/32/08/60/1160320860.db2.gz FTZWUHHEBGQUHO-KGLIPLIRSA-N 2 0 269.433 1.467 10 0 CDAERP C[C@@H]1CC[C@H]([NH2+]CCCC[NH+](C)C)[C@@H](n2cncn2)C1 ZINC000340466888 1164325382 /nfs/dbraw/zinc/32/53/82/1164325382.db2.gz FKIZAJVVNHGXLK-ILXRZTDVSA-N 2 0 279.432 1.939 10 0 CDAERP C[N@@H+]1CC[C@H]2CN(C(=O)CCCCC[NH3+])CC[C@H]21 ZINC000870981766 1165246718 /nfs/dbraw/zinc/24/67/18/1165246718.db2.gz JYQCHQBARJCVJQ-QWHCGFSZSA-N 2 0 253.390 1.058 10 0 CDAERP C[C@H](NC(=O)C12CCC[NH+]1CCC2)C1=CC[N@H+](C)CC1 ZINC001624971104 1165878738 /nfs/dbraw/zinc/87/87/38/1165878738.db2.gz YXCILTNGGWDDDI-ZDUSSCGKSA-N 2 0 277.412 1.381 10 0 CDAERP CC/C=C\CC[NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001319575646 1166581758 /nfs/dbraw/zinc/58/17/58/1166581758.db2.gz YWDGXAPPKZKFSV-YVACAVLKSA-N 2 0 281.444 1.875 10 0 CDAERP C[C@H](CC[NH2+]Cc1ccon1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001568698199 1169435630 /nfs/dbraw/zinc/43/56/30/1169435630.db2.gz ASMTUCSYODQYFF-OLZOCXBDSA-N 2 0 294.399 1.001 10 0 CDAERP CN(CCC[NH2+]CC1CC1)C(=O)C[N@H+](C)CC(C)(C)C ZINC001569240200 1169733761 /nfs/dbraw/zinc/73/37/61/1169733761.db2.gz WMGFIGQZDRALCL-UHFFFAOYSA-N 2 0 283.460 1.812 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1CC1=CCCCC1 ZINC001569372786 1169816408 /nfs/dbraw/zinc/81/64/08/1169816408.db2.gz HJOCNKDZLHWQHR-HNNXBMFYSA-N 2 0 279.428 1.629 10 0 CDAERP C[NH+](C)CCC(=O)NC1CC(C[NH2+]CC2=CCCCC2)C1 ZINC001570571708 1170192916 /nfs/dbraw/zinc/19/29/16/1170192916.db2.gz CXQWPBGBYCUESJ-UHFFFAOYSA-N 2 0 293.455 1.923 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CCF)C1 ZINC001662642006 1172573999 /nfs/dbraw/zinc/57/39/99/1172573999.db2.gz YBAIQNFOJMJAIA-UONOGXRCSA-N 2 0 285.407 1.268 10 0 CDAERP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCOC(C)C ZINC001665808813 1173066185 /nfs/dbraw/zinc/06/61/85/1173066185.db2.gz GKNFEPLOXUXSHL-LSDHHAIUSA-N 2 0 299.459 1.380 10 0 CDAERP CC(C)C[C@@H](C[NH2+]CCF)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001667117925 1173236369 /nfs/dbraw/zinc/23/63/69/1173236369.db2.gz GYXVAOZZOWFLNF-STQMWFEESA-N 2 0 273.396 1.028 10 0 CDAERP CCCC[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001668821317 1173469827 /nfs/dbraw/zinc/46/98/27/1173469827.db2.gz MWIRQWGYIPPHJO-LQYUOIDQSA-N 2 0 281.444 1.921 10 0 CDAERP CC[C@@H](C(=O)NC/C=C/C[NH2+]CC1CCOCC1)[NH+](C)C ZINC001669045842 1173497800 /nfs/dbraw/zinc/49/78/00/1173497800.db2.gz MGDYOULGLFXYTN-NFAHFFEMSA-N 2 0 297.443 1.015 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CCCF ZINC001669206568 1173517029 /nfs/dbraw/zinc/51/70/29/1173517029.db2.gz FKVMZCPWNQHJRQ-ZRUQZJFASA-N 2 0 285.407 1.482 10 0 CDAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CC1CC1 ZINC001672306122 1173764643 /nfs/dbraw/zinc/76/46/43/1173764643.db2.gz SUBZFRPPSXQJSL-GXTWGEPZSA-N 2 0 267.417 1.032 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]C/C=C\Cl)C1 ZINC001690418299 1175466492 /nfs/dbraw/zinc/46/64/92/1175466492.db2.gz OGZZFZZHOHTBIZ-ALCJFRFOSA-N 2 0 299.846 1.661 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C[NH2+]CCCF)C2)C1 ZINC001690422823 1175467288 /nfs/dbraw/zinc/46/72/88/1175467288.db2.gz BHGZDBJOOHRGPX-GJZGRUSLSA-N 2 0 299.434 1.516 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1C ZINC001692169973 1175689962 /nfs/dbraw/zinc/68/99/62/1175689962.db2.gz QVPAWFBCKOIGEL-OCCSQVGLSA-N 2 0 267.417 1.460 10 0 CDAERP CCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001692377176 1175756173 /nfs/dbraw/zinc/75/61/73/1175756173.db2.gz XAIUDPSTNIXORP-JYJNAYRXSA-N 2 0 293.455 1.804 10 0 CDAERP CCC[NH2+]C[C@H](C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001699422254 1176385599 /nfs/dbraw/zinc/38/55/99/1176385599.db2.gz IYDPPOMDDUNUHB-WFASDCNBSA-N 2 0 287.423 1.703 10 0 CDAERP CCCC[NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001699593459 1176490839 /nfs/dbraw/zinc/49/08/39/1176490839.db2.gz QQVDWMJIZBOMFW-AWEZNQCLSA-N 2 0 279.428 1.367 10 0 CDAERP CC[NH2+]CC[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001700076668 1176734976 /nfs/dbraw/zinc/73/49/76/1176734976.db2.gz FICXZYIQPMUFKF-AWEZNQCLSA-N 2 0 283.460 1.812 10 0 CDAERP CC[NH2+]CC[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001700069023 1176737501 /nfs/dbraw/zinc/73/75/01/1176737501.db2.gz YQXAIPAVYVPMMZ-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CCCC[C@H]1C[NH2+]C/C=C\Cl ZINC001700348684 1176861129 /nfs/dbraw/zinc/86/11/29/1176861129.db2.gz JNCGNYKNOPCUEX-VSKVDJIOSA-N 2 0 299.846 1.805 10 0 CDAERP COCC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C1 ZINC001700577213 1177024548 /nfs/dbraw/zinc/02/45/48/1177024548.db2.gz AMJYXZAACQVETQ-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CCCF)C1 ZINC001700913348 1177195060 /nfs/dbraw/zinc/19/50/60/1177195060.db2.gz SPEZXVYGYCZOQX-ZIAGYGMSSA-N 2 0 287.423 1.561 10 0 CDAERP Cc1oncc1C[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001707366410 1177992906 /nfs/dbraw/zinc/99/29/06/1177992906.db2.gz CALYFQUUFOYYQS-AWEZNQCLSA-N 2 0 294.399 1.015 10 0 CDAERP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CC2CCCC2)C1 ZINC000232130523 1178185344 /nfs/dbraw/zinc/18/53/44/1178185344.db2.gz XRURHVBOKPGBQD-CABCVRRESA-N 2 0 254.418 1.859 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001713238459 1178448704 /nfs/dbraw/zinc/44/87/04/1178448704.db2.gz IJQFRVIXHLVBFB-AWEZNQCLSA-N 2 0 269.433 1.422 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001713466519 1178583513 /nfs/dbraw/zinc/58/35/13/1178583513.db2.gz FZBXRWAQTHWRHI-UONOGXRCSA-N 2 0 269.433 1.422 10 0 CDAERP Cc1nocc1C[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001713656926 1178699032 /nfs/dbraw/zinc/69/90/32/1178699032.db2.gz PHNUIHIXELZOBB-CQSZACIVSA-N 2 0 296.415 1.117 10 0 CDAERP CN(CC[NH2+]CCCC1CCCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001713664367 1178701173 /nfs/dbraw/zinc/70/11/73/1178701173.db2.gz PRTFBONCEYFYTF-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1CC[N@H+](CC=C(C)C)C1 ZINC001713824481 1178776176 /nfs/dbraw/zinc/77/61/76/1178776176.db2.gz KSKITVKCFPMVAT-LSDHHAIUSA-N 2 0 299.434 1.823 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@H](N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001714004636 1178923966 /nfs/dbraw/zinc/92/39/66/1178923966.db2.gz VHLDUHRLGDUFFZ-HNNXBMFYSA-N 2 0 293.455 1.970 10 0 CDAERP CC(C)=CC[NH2+]C[C@](C)(NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001714175918 1179004456 /nfs/dbraw/zinc/00/44/56/1179004456.db2.gz CJNQIQCVYNLKLM-YOEHRIQHSA-N 2 0 293.455 1.779 10 0 CDAERP CCCC[N@H+](CC)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001714595861 1179251074 /nfs/dbraw/zinc/25/10/74/1179251074.db2.gz BRLZRIJOEIDUNX-UHFFFAOYSA-N 2 0 267.417 1.320 10 0 CDAERP CN(CC[NH2+]CCCF)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001714725666 1179359040 /nfs/dbraw/zinc/35/90/40/1179359040.db2.gz XIKBFKGWXPHOFT-ZIAGYGMSSA-N 2 0 285.407 1.411 10 0 CDAERP Cc1cc(F)ccc1C[NH2+]CCN(C)C(=O)CC[NH+](C)C ZINC001714751607 1179376365 /nfs/dbraw/zinc/37/63/65/1179376365.db2.gz GHUZSNXODRMFFV-UHFFFAOYSA-N 2 0 295.402 1.634 10 0 CDAERP CC/C=C/CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001714992456 1179495913 /nfs/dbraw/zinc/49/59/13/1179495913.db2.gz PDDFANKOTJKQOZ-IDHNRJPVSA-N 2 0 291.439 1.580 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001715016508 1179510690 /nfs/dbraw/zinc/51/06/90/1179510690.db2.gz DRWCBJXWXRSVAG-AWEZNQCLSA-N 2 0 267.417 1.437 10 0 CDAERP CCC[NH2+]C[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001715241773 1179593476 /nfs/dbraw/zinc/59/34/76/1179593476.db2.gz XEKAZXFHLCFZHL-ZDUSSCGKSA-N 2 0 267.417 1.367 10 0 CDAERP C[C@H]([NH2+]CCCF)[C@@H]1CCCN(C(=O)Cc2cnc[nH]2)C1 ZINC001715316856 1179619612 /nfs/dbraw/zinc/61/96/12/1179619612.db2.gz SUBFZOBYOBUFDM-QWHCGFSZSA-N 2 0 296.390 1.529 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]CCOC)C(C)C ZINC001715508454 1179688752 /nfs/dbraw/zinc/68/87/52/1179688752.db2.gz VLKISYMUZOVCDC-CABCVRRESA-N 2 0 299.459 1.238 10 0 CDAERP C[C@@H](CC[NH2+]Cc1ccns1)NC(=O)CC[NH+](C)C ZINC001715678154 1179761716 /nfs/dbraw/zinc/76/17/16/1179761716.db2.gz KRBRLUFUYUEUJV-NSHDSACASA-N 2 0 284.429 1.079 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC=C(C)C ZINC001716424664 1180198802 /nfs/dbraw/zinc/19/88/02/1180198802.db2.gz PFRVDODBMOWGKA-CABCVRRESA-N 2 0 281.444 1.921 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CCC[NH2+]CC)C1 ZINC001716562076 1180285361 /nfs/dbraw/zinc/28/53/61/1180285361.db2.gz YXYQVCSGWNSOGS-CQSZACIVSA-N 2 0 269.433 1.566 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH2+]C[C@@H]1CC[C@H](C)O1 ZINC001716587300 1180295895 /nfs/dbraw/zinc/29/58/95/1180295895.db2.gz XLKAGAKFDNXBDI-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001716617143 1180307847 /nfs/dbraw/zinc/30/78/47/1180307847.db2.gz CYQCCPVCDORSBD-CYBMUJFWSA-N 2 0 267.417 1.365 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1CCC[N@H+](CCCOC)CC1)[NH+](C)C ZINC001717199828 1180569892 /nfs/dbraw/zinc/56/98/92/1180569892.db2.gz UHMCYACMGCECFV-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP CC/C=C/CC[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001717388026 1180642934 /nfs/dbraw/zinc/64/29/34/1180642934.db2.gz JKIMTWWLRWAQTL-XZJDITFYSA-N 2 0 293.455 1.921 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@H]2C[C@H](C[NH2+]C/C=C\Cl)C2)CCC1 ZINC001717642112 1180769328 /nfs/dbraw/zinc/76/93/28/1180769328.db2.gz JKUPDPRATOVZNH-MTWFLMKHSA-N 2 0 299.846 1.708 10 0 CDAERP CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001717641039 1180770212 /nfs/dbraw/zinc/77/02/12/1180770212.db2.gz TVPNJHCTLHXKDF-FVQBIDKESA-N 2 0 293.455 1.613 10 0 CDAERP CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001717646233 1180772214 /nfs/dbraw/zinc/77/22/14/1180772214.db2.gz DHCBETLIMXFGQU-AJNGGQMLSA-N 2 0 281.444 1.611 10 0 CDAERP CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001717649354 1180773310 /nfs/dbraw/zinc/77/33/10/1180773310.db2.gz IJVLEEODNVXCGQ-FPCVCCKLSA-N 2 0 293.455 1.898 10 0 CDAERP CN(CCC[NH2+]CCF)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001723053081 1181515220 /nfs/dbraw/zinc/51/52/20/1181515220.db2.gz UPSVLBPJLBDWJF-KGLIPLIRSA-N 2 0 285.407 1.411 10 0 CDAERP CC(C)C[NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001723102905 1181518606 /nfs/dbraw/zinc/51/86/06/1181518606.db2.gz LYYUNCAVZLKOKM-GJZGRUSLSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N(C)CCC[NH2+]CC2CCCC2)C1 ZINC001723124727 1181519371 /nfs/dbraw/zinc/51/93/71/1181519371.db2.gz XUSJUMQTZZYGEF-HNNXBMFYSA-N 2 0 295.471 1.957 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[NH+](CC)C2 ZINC001724506848 1181687559 /nfs/dbraw/zinc/68/75/59/1181687559.db2.gz ZNGAASJQNXUXMA-MJBXVCDLSA-N 2 0 267.417 1.317 10 0 CDAERP CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C ZINC001724650207 1181714947 /nfs/dbraw/zinc/71/49/47/1181714947.db2.gz BBDLGFBGLVDYEV-CHWSQXEVSA-N 2 0 253.390 1.023 10 0 CDAERP CCC1([NH2+]CCO)CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001724890150 1181787809 /nfs/dbraw/zinc/78/78/09/1181787809.db2.gz LWDPPNPELJMPCI-UHFFFAOYSA-N 2 0 299.459 1.071 10 0 CDAERP CN(C(=O)C[NH+]1CCCC1)[C@H](C[NH2+]CCCF)C1CC1 ZINC001725473137 1182013231 /nfs/dbraw/zinc/01/32/31/1182013231.db2.gz JFIWLRXLGHUTFU-CQSZACIVSA-N 2 0 285.407 1.268 10 0 CDAERP CC(C)[N@H+]1CC=C(CNC(=O)[C@H](C)Cc2c[nH]cn2)CC1 ZINC001725825963 1182143271 /nfs/dbraw/zinc/14/32/71/1182143271.db2.gz PDBVLTHWYZIVRT-CYBMUJFWSA-N 2 0 290.411 1.745 10 0 CDAERP CCC[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001731286279 1182296075 /nfs/dbraw/zinc/29/60/75/1182296075.db2.gz IPGNQVDJQHDVBQ-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001731455094 1182397701 /nfs/dbraw/zinc/39/77/01/1182397701.db2.gz HEHCNYPUPNHWBI-SHTZXODSSA-N 2 0 281.444 1.921 10 0 CDAERP CC(C)C[NH2+][C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001731600177 1182472557 /nfs/dbraw/zinc/47/25/57/1182472557.db2.gz TTWOWRVDMQLOFW-ZIAGYGMSSA-N 2 0 269.433 1.611 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCCCCF)C1 ZINC001731655022 1182504806 /nfs/dbraw/zinc/50/48/06/1182504806.db2.gz UDUFMZBVNNLYKW-CABCVRRESA-N 2 0 299.434 1.659 10 0 CDAERP CN(CC[NH2+]C/C=C/Cl)C(=O)C12CCC[NH+]1CCC2 ZINC001731928071 1182682874 /nfs/dbraw/zinc/68/28/74/1182682874.db2.gz DXSHCJCAQHCJRW-QPJJXVBHSA-N 2 0 285.819 1.415 10 0 CDAERP CC(C)C[NH2+]CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001731942773 1182691588 /nfs/dbraw/zinc/69/15/88/1182691588.db2.gz APMHDEDIGZUQNJ-GJZGRUSLSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H](F)CC[NH2+]CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001731975197 1182710275 /nfs/dbraw/zinc/71/02/75/1182710275.db2.gz PITYRAFLFWSDSF-QWHCGFSZSA-N 2 0 273.396 1.124 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC=C(C)C ZINC001732205048 1182855005 /nfs/dbraw/zinc/85/50/05/1182855005.db2.gz GSNTWKKUWGCYQX-HUUCEWRRSA-N 2 0 281.444 1.921 10 0 CDAERP CC(C)[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001732356519 1182923820 /nfs/dbraw/zinc/92/38/20/1182923820.db2.gz MBRBAGVJCCLVNG-RDBSUJKOSA-N 2 0 269.433 1.467 10 0 CDAERP CCCC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001732495887 1182988969 /nfs/dbraw/zinc/98/89/69/1182988969.db2.gz OQNRGQFANSPDKM-HUUCEWRRSA-N 2 0 293.455 1.709 10 0 CDAERP CCOCC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC001732560715 1183009959 /nfs/dbraw/zinc/00/99/59/1183009959.db2.gz KEPQARGLMPLWCF-GJZGRUSLSA-N 2 0 299.459 1.238 10 0 CDAERP CC1CC(C[NH2+]C/C=C/CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001732861446 1183162310 /nfs/dbraw/zinc/16/23/10/1183162310.db2.gz LUECMJCLXGWOFW-SNAWJCMRSA-N 2 0 293.455 1.779 10 0 CDAERP C[NH+](C)Cc1ccc(C(=O)NC/C=C/C[NH2+]CCF)cc1 ZINC001732914913 1183181865 /nfs/dbraw/zinc/18/18/65/1183181865.db2.gz SVZRCBFTVMYNFK-ONEGZZNKSA-N 2 0 293.386 1.593 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]CC(C)C)CC[N@@H+]1C ZINC001732955586 1183203728 /nfs/dbraw/zinc/20/37/28/1183203728.db2.gz SIGUXWFIUNUSGN-HZSPNIEDSA-N 2 0 269.433 1.467 10 0 CDAERP C[C@H](C[NH2+]CCC1CC1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001732960744 1183206651 /nfs/dbraw/zinc/20/66/51/1183206651.db2.gz VKXJILHOOBTZKG-CQSZACIVSA-N 2 0 293.455 1.757 10 0 CDAERP C[C@@]1(NC(=O)C[NH+]2CCCC2)CC[N@H+](CC2CC2)C1 ZINC001733415531 1183425841 /nfs/dbraw/zinc/42/58/41/1183425841.db2.gz ZTHIHCMYJISKMF-OAHLLOKOSA-N 2 0 265.401 1.073 10 0 CDAERP CCCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001733541677 1183459715 /nfs/dbraw/zinc/45/97/15/1183459715.db2.gz ZOKMNYGCJNMSCN-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001734065661 1183645882 /nfs/dbraw/zinc/64/58/82/1183645882.db2.gz NWCGJSHBWHUIIQ-QWHCGFSZSA-N 2 0 255.406 1.031 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC)C1 ZINC001734339427 1183738553 /nfs/dbraw/zinc/73/85/53/1183738553.db2.gz NHODAFAAJOBRCG-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP CCCC[NH2+][C@H](C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001734343302 1183740599 /nfs/dbraw/zinc/74/05/99/1183740599.db2.gz JUOMLFLFEKBZKY-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP COCCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@@H]1C ZINC001734393797 1183760298 /nfs/dbraw/zinc/76/02/98/1183760298.db2.gz HCCAQLUIIDNHIX-UKRRQHHQSA-N 2 0 297.443 1.086 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1[NH+](CC)CC2 ZINC001734445138 1183780455 /nfs/dbraw/zinc/78/04/55/1183780455.db2.gz XJARLZYPKMBPLS-HIFRSBDPSA-N 2 0 267.417 1.461 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1[NH2+]CC[C@H]2CCCC[C@H]21)[NH+](C)C ZINC000388516137 1187272640 /nfs/dbraw/zinc/27/26/40/1187272640.db2.gz QJNMBGFVDRASJK-AAVRWANBSA-N 2 0 267.417 1.221 10 0 CDAERP CC(C)N1CC[C@@H]([N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)C1=O ZINC000866705831 735289357 /nfs/dbraw/zinc/28/93/57/735289357.db2.gz IKEPROCVSFKDHD-CZUORRHYSA-N 2 0 281.444 1.693 10 0 CDAERP COCCOCC[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866708139 735313353 /nfs/dbraw/zinc/31/33/53/735313353.db2.gz XXDNXSRSIXQXOP-AWEZNQCLSA-N 2 0 258.406 1.346 10 0 CDAERP C1[C@@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)C12CC[NH2+]CC2 ZINC000925702558 735327797 /nfs/dbraw/zinc/32/77/97/735327797.db2.gz BPVRAYQHRNCKLO-HRCADAONSA-N 3 0 277.456 1.886 10 0 CDAERP COc1cccc(C[N@H+](C)C[C@@H]2CC3(C[NH2+]C3)CO2)c1 ZINC000923298707 735345636 /nfs/dbraw/zinc/34/56/36/735345636.db2.gz JYEPOYTYRVNKIL-HNNXBMFYSA-N 2 0 276.380 1.506 10 0 CDAERP CCOC(=O)C1=CC[C@H]([NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000863542150 735386612 /nfs/dbraw/zinc/38/66/12/735386612.db2.gz AJVZURJTTBKLOV-UBHUBRDASA-N 2 0 266.385 1.745 10 0 CDAERP Cc1cc([C@@H]([NH3+])CC(=O)N2CC[NH2+]C[C@@H]2C)cc(Cl)n1 ZINC000841845544 735397037 /nfs/dbraw/zinc/39/70/37/735397037.db2.gz CTNUNVYOAXVONM-JQWIXIFHSA-N 2 0 296.802 1.254 10 0 CDAERP COCCC[N@H+](C)CCN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925514793 735405867 /nfs/dbraw/zinc/40/58/67/735405867.db2.gz FVZNMUWFOJXNGO-ILXRZTDVSA-N 2 0 283.460 1.321 10 0 CDAERP CC1(C)CO[C@H](CN2CCC([N@@H+]3CCCOCC3)CC2)C1 ZINC000931285233 735506891 /nfs/dbraw/zinc/50/68/91/735506891.db2.gz JVFASAIPUVAADV-INIZCTEOSA-N 2 0 296.455 1.988 10 0 CDAERP COC(=O)CC[C@H]1CCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000872153661 735532237 /nfs/dbraw/zinc/53/22/37/735532237.db2.gz GFFNGPTZUSUBTB-KGLIPLIRSA-N 2 0 296.411 1.173 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000852877949 735727322 /nfs/dbraw/zinc/72/73/22/735727322.db2.gz KHCMEDUXYMPRIM-UHFFFAOYSA-N 2 0 289.354 1.720 10 0 CDAERP C1C[NH2+][C@H]([C@@H]2COCC[C@@H]2[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)C1 ZINC000873238673 735746868 /nfs/dbraw/zinc/74/68/68/735746868.db2.gz DTZHAUIPKOTISG-YBRAEQMSSA-N 2 0 292.423 1.157 10 0 CDAERP FC(F)(F)c1csc(CN2CC[NH2+]CC[NH2+]CC2)n1 ZINC000923459196 735797039 /nfs/dbraw/zinc/79/70/39/735797039.db2.gz DBKIPXKCVYLDDA-UHFFFAOYSA-N 2 0 294.346 1.157 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000713051634 736007061 /nfs/dbraw/zinc/00/70/61/736007061.db2.gz OJRDBABNHNWEAF-RDBSUJKOSA-N 2 0 281.444 1.691 10 0 CDAERP [NH3+][C@@H](C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000825547324 736037346 /nfs/dbraw/zinc/03/73/46/736037346.db2.gz KAWGLGARPGSDBC-HRCADAONSA-N 2 0 287.407 1.677 10 0 CDAERP c1ccc(CCN2CCC([N@@H+]3CCCOCC3)CC2)nc1 ZINC000931285196 736046039 /nfs/dbraw/zinc/04/60/39/736046039.db2.gz IPDQXGDEKGZPMG-UHFFFAOYSA-N 2 0 289.423 1.811 10 0 CDAERP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000236985375 736066313 /nfs/dbraw/zinc/06/63/13/736066313.db2.gz XCZYXJPGZIQIRW-IUODEOHRSA-N 2 0 277.412 1.738 10 0 CDAERP CC(C)OCC[C@H](O)C[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000923428091 736083586 /nfs/dbraw/zinc/08/35/86/736083586.db2.gz WDIRCTLNRVIDKF-WOPDTQHZSA-N 2 0 298.349 1.231 10 0 CDAERP Cc1nc(C)c(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)o1 ZINC000923442491 736086541 /nfs/dbraw/zinc/08/65/41/736086541.db2.gz QOWLYSPZTYMCBL-ZDUSSCGKSA-N 2 0 279.384 1.621 10 0 CDAERP CCOCCOCC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000923365306 736189082 /nfs/dbraw/zinc/18/90/82/736189082.db2.gz ULZJJUDLXAVADY-LSDHHAIUSA-N 2 0 270.417 1.504 10 0 CDAERP C[C@@H](NC[C@@H]1C[NH2+]CCC1(F)F)[C@H]1CCCC[NH2+]1 ZINC000925774526 736190778 /nfs/dbraw/zinc/19/07/78/736190778.db2.gz AYDPWEUKKYKZHP-GRYCIOLGSA-N 2 0 261.360 1.351 10 0 CDAERP CC1(CC[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)OCCO1 ZINC000925638265 736222118 /nfs/dbraw/zinc/22/21/18/736222118.db2.gz ADLCAJDXRSJOOP-NEPJUHHUSA-N 2 0 256.390 1.635 10 0 CDAERP O=CN1CCC([NH2+]C2CC([NH+]3CCCCC3)C2)CC1 ZINC000794834579 736227702 /nfs/dbraw/zinc/22/77/02/736227702.db2.gz HRCIJVRONJZBMW-UHFFFAOYSA-N 2 0 265.401 1.214 10 0 CDAERP C[C@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C1CC1 ZINC000870020924 733191837 /nfs/dbraw/zinc/19/18/37/733191837.db2.gz IRNKPZUBNNZRSK-NWANDNLSSA-N 2 0 281.444 1.230 10 0 CDAERP C[NH+](C)C1(CN[C@@H]2CC[NH2+]C23CCC3)CCCC1 ZINC000925517123 733221135 /nfs/dbraw/zinc/22/11/35/733221135.db2.gz FQSHXFJBQBVWCI-CYBMUJFWSA-N 2 0 251.418 1.735 10 0 CDAERP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc[nH]c(=O)c2)CCCO1 ZINC000922065159 733283003 /nfs/dbraw/zinc/28/30/03/733283003.db2.gz WZRWTPDCCLCLLO-CYBMUJFWSA-N 2 0 279.384 1.378 10 0 CDAERP C[N@H+](C[C@H](O)CC(F)(F)F)[C@H]1CCC[NH2+]CC1 ZINC000307948962 733306287 /nfs/dbraw/zinc/30/62/87/733306287.db2.gz PVQCNOWQINQYKK-VHSXEESVSA-N 2 0 254.296 1.374 10 0 CDAERP CN(Cc1ccccc1)C[C@H](O)C[N@@H+]1CC[C@@H](CF)C1 ZINC000880294038 733312604 /nfs/dbraw/zinc/31/26/04/733312604.db2.gz QSVPWBOZLQCROP-HOTGVXAUSA-N 2 0 280.387 1.771 10 0 CDAERP CCCn1nccc1NC(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923502441 733319981 /nfs/dbraw/zinc/31/99/81/733319981.db2.gz XRRITBDFAIQWJF-QWHCGFSZSA-N 2 0 293.415 1.148 10 0 CDAERP Cc1ccc(N2CCC[N@@H+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)CC2)cc1 ZINC000923323423 733321117 /nfs/dbraw/zinc/32/11/17/733321117.db2.gz YAYRYBGEKCRIKC-XIRDDKMYSA-N 2 0 289.423 1.358 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+]CC[C@H]1CCCS1(=O)=O ZINC000714358035 733331581 /nfs/dbraw/zinc/33/15/81/733331581.db2.gz SPXRHYOFCIIJJO-NWDGAFQWSA-N 2 0 262.419 1.061 10 0 CDAERP Cn1cc(C[NH2+]C2CCC([NH3+])CC2)c(Br)n1 ZINC000712461895 733338411 /nfs/dbraw/zinc/33/84/11/733338411.db2.gz XVWRHONIGQZORN-UHFFFAOYSA-N 2 0 287.205 1.542 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCO[C@@H]2CCOC2)[C@@H](C)C1 ZINC000930000813 733380258 /nfs/dbraw/zinc/38/02/58/733380258.db2.gz RYJKMJFSYUFVGX-ZNMIVQPWSA-N 2 0 270.417 1.454 10 0 CDAERP C[C@@H]1C[N@H+](CC2(O)CCC2)CCN1c1cc[nH+]cc1 ZINC000880257901 733401649 /nfs/dbraw/zinc/40/16/49/733401649.db2.gz AOVVDOVTZWJKGP-CYBMUJFWSA-N 2 0 261.369 1.507 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)C1 ZINC000872290458 733423366 /nfs/dbraw/zinc/42/33/66/733423366.db2.gz RGYYLBPJXKCKKR-LYOVBCGYSA-N 2 0 289.354 1.537 10 0 CDAERP CC[C@H](O)CC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925557059 733450030 /nfs/dbraw/zinc/45/00/30/733450030.db2.gz BCFWWNMTUMXCHC-KKUMJFAQSA-N 2 0 254.418 1.905 10 0 CDAERP C[NH+]1CCC2(CCC[N@H+](CCO[C@@H]3CCOC3)C2)CC1 ZINC000930310073 733450690 /nfs/dbraw/zinc/45/06/90/733450690.db2.gz RJJMOUDUMIYJRT-OAHLLOKOSA-N 2 0 282.428 1.600 10 0 CDAERP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1cccc(CO)c1 ZINC000925814092 733498167 /nfs/dbraw/zinc/49/81/67/733498167.db2.gz FPNISRUISZGYBE-ZDUSSCGKSA-N 2 0 277.412 1.253 10 0 CDAERP C[N@@H+]1CCN(C(=O)[C@@H]2CC[NH+]2C(C)(C)C)CCC1(C)C ZINC000864063189 733558762 /nfs/dbraw/zinc/55/87/62/733558762.db2.gz OOPHJDJKONBYPK-ZDUSSCGKSA-N 2 0 281.444 1.802 10 0 CDAERP C[C@@H]1C[C@H](C)[C@H](C)[N@H+](C[C@@H](O)CN2CCCC2)C1 ZINC000310595412 733628482 /nfs/dbraw/zinc/62/84/82/733628482.db2.gz XEOQQLBPZOKIBR-QPSCCSFWSA-N 2 0 254.418 1.810 10 0 CDAERP CC(C)C[N@H+](C[C@H]1CC[NH2+]C1)CC1CC[NH+](C)CC1 ZINC000866718088 733748128 /nfs/dbraw/zinc/74/81/28/733748128.db2.gz WFTJIUNOROEEOH-INIZCTEOSA-N 3 0 267.461 1.896 10 0 CDAERP C[NH+](C)C1CC(NC(=O)C2CC[NH+](C3CC3)CC2)C1 ZINC000816524301 733761771 /nfs/dbraw/zinc/76/17/71/733761771.db2.gz ZJRIOUUIRZNPTL-UHFFFAOYSA-N 2 0 265.401 1.070 10 0 CDAERP C(C1CC[NH+](C[C@@H]2CCC3(COC3)O2)CC1)[NH+]1CCCC1 ZINC000929278448 733809236 /nfs/dbraw/zinc/80/92/36/733809236.db2.gz YPOBNPXHRNXYKE-INIZCTEOSA-N 2 0 294.439 1.742 10 0 CDAERP CC[NH+](CC)CCC[N@@H+]1[C@H](C)CC[C@H](C(N)=O)[C@@H]1C ZINC000930912081 733830837 /nfs/dbraw/zinc/83/08/37/733830837.db2.gz RZZBVUPHNJHNMC-RDBSUJKOSA-N 2 0 269.433 1.693 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(C[NH3+])c2)[C@@H](C)C1 ZINC000844188670 733848029 /nfs/dbraw/zinc/84/80/29/733848029.db2.gz XPQFXMZIVINNJV-BBRMVZONSA-N 2 0 289.423 1.948 10 0 CDAERP Cc1ccoc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870024897 733866946 /nfs/dbraw/zinc/86/69/46/733866946.db2.gz WDJCSQZBJJQUPI-ZIAGYGMSSA-N 2 0 293.411 1.399 10 0 CDAERP O=C(NCC1CC1)[C@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923304135 733875876 /nfs/dbraw/zinc/87/58/76/733875876.db2.gz UINPJJSDHBWXQZ-AWEZNQCLSA-N 2 0 279.428 1.367 10 0 CDAERP CCn1ncc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])n1 ZINC000857086100 733883313 /nfs/dbraw/zinc/88/33/13/733883313.db2.gz IVTAMOARJAOKSL-TZMCWYRMSA-N 2 0 265.405 1.637 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000931663266 733886484 /nfs/dbraw/zinc/88/64/84/733886484.db2.gz JIMVWEPGBUHOOH-KGLIPLIRSA-N 2 0 267.417 1.412 10 0 CDAERP C[C@@](O)(C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)c1ccco1 ZINC000850159153 733898581 /nfs/dbraw/zinc/89/85/81/733898581.db2.gz BUMLXGIBBNQPLP-MRXNPFEDSA-N 2 0 298.346 1.858 10 0 CDAERP COCC[N@H+](C)CCC[NH2+][C@@H](C1CC1)[C@H]1CCCOC1 ZINC000924653302 733916980 /nfs/dbraw/zinc/91/69/80/733916980.db2.gz IRGVHTGVCGLFII-HOTGVXAUSA-N 2 0 284.444 1.750 10 0 CDAERP [NH3+]CCCCCCNC(=O)c1ccccc1CC[NH3+] ZINC000846681074 733955172 /nfs/dbraw/zinc/95/51/72/733955172.db2.gz YMTYITXWKRBCRR-UHFFFAOYSA-N 2 0 263.385 1.437 10 0 CDAERP COCC[N@@H+](Cc1ccccc1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923298209 733972304 /nfs/dbraw/zinc/97/23/04/733972304.db2.gz UCDXWBRIDWVVJQ-INIZCTEOSA-N 2 0 290.407 1.514 10 0 CDAERP CC[C@H](C[NH+](C)C)OC(=O)CN(C)[C@@H]1CCSC1 ZINC000870553810 733990893 /nfs/dbraw/zinc/99/08/93/733990893.db2.gz RVUGFHBNLOJXBI-VXGBXAGGSA-N 2 0 274.430 1.307 10 0 CDAERP C(N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)[C@H]1CCC2(CCC2)CO1 ZINC000716607541 733999131 /nfs/dbraw/zinc/99/91/31/733999131.db2.gz VDYDXFDSVRWOKR-RCZWDNKTSA-N 2 0 276.424 1.922 10 0 CDAERP CC[NH+]1CCC(C[NH2+]Cc2cnc(Cl)n2C)CC1 ZINC000848533597 734018329 /nfs/dbraw/zinc/01/83/29/734018329.db2.gz LPNMNXZDAZZLMU-UHFFFAOYSA-N 2 0 270.808 1.895 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000711257543 734029961 /nfs/dbraw/zinc/02/99/61/734029961.db2.gz HSLZLPLSYMFYMZ-HIFRSBDPSA-N 2 0 267.417 1.367 10 0 CDAERP c1[nH]nc2c1[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@@H]3C1)CCC2 ZINC000817986408 734031325 /nfs/dbraw/zinc/03/13/25/734031325.db2.gz LRJBBKYKWSPLBV-GFQSEFKGSA-N 2 0 260.385 1.765 10 0 CDAERP C(C[NH2+]C1CC1)CN1CCC(C[NH+]2CCOCC2)CC1 ZINC000923320620 734046535 /nfs/dbraw/zinc/04/65/35/734046535.db2.gz BGALYOQBFMJVQM-UHFFFAOYSA-N 2 0 281.444 1.173 10 0 CDAERP [NH3+]C1(C[NH2+]C[C@H]2CC[C@@H](C(F)(F)F)O2)CCC1 ZINC000722398353 734055299 /nfs/dbraw/zinc/05/52/99/734055299.db2.gz LKYNMEHXHNIKKX-BDAKNGLRSA-N 2 0 252.280 1.567 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)NCc2ccc3c[nH+]cn3c2)CC[N@@H+]1C ZINC000922834820 734086451 /nfs/dbraw/zinc/08/64/51/734086451.db2.gz QFLVTMBODVNGSF-RISCZKNCSA-N 2 0 287.367 1.226 10 0 CDAERP CCn1nc(C)c(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1C ZINC000723916177 734156997 /nfs/dbraw/zinc/15/69/97/734156997.db2.gz SBLZLISIOYSYGV-BXUZGUMPSA-N 2 0 264.417 1.937 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000863542051 734158777 /nfs/dbraw/zinc/15/87/77/734158777.db2.gz DVJQBRRURCHQJC-SNVBAGLBSA-N 2 0 257.765 1.622 10 0 CDAERP Cc1cc(CC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)nn1C ZINC000922684897 734186346 /nfs/dbraw/zinc/18/63/46/734186346.db2.gz CDRVEJDSTJSITE-AWEZNQCLSA-N 2 0 264.417 1.733 10 0 CDAERP [NH3+]C[C@@H]1CN(C[C@@H]2CCCO2)C[C@H]1C(F)(F)F ZINC000709800012 734223333 /nfs/dbraw/zinc/22/33/33/734223333.db2.gz NUHDSMCFNQTHOT-KXUCPTDWSA-N 2 0 252.280 1.234 10 0 CDAERP O=C1OCCN1CC[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923504619 734235132 /nfs/dbraw/zinc/23/51/32/734235132.db2.gz BWLGTCALKZETFT-AWEZNQCLSA-N 2 0 295.427 1.540 10 0 CDAERP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000854651049 734258391 /nfs/dbraw/zinc/25/83/91/734258391.db2.gz VNPLWQKMLPVRCF-DVOMOZLQSA-N 2 0 299.434 1.750 10 0 CDAERP COC(=O)N1CCC(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925670550 734263907 /nfs/dbraw/zinc/26/39/07/734263907.db2.gz MBCSGZGGKABPEI-UONOGXRCSA-N 2 0 297.443 1.960 10 0 CDAERP C[C@H]1C[N@H+](CCc2ccc(C(N)=O)cc2)CC[C@H]1C[NH3+] ZINC000923491044 734265678 /nfs/dbraw/zinc/26/56/78/734265678.db2.gz QJSYHXCDOITZFC-WFASDCNBSA-N 2 0 275.396 1.245 10 0 CDAERP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3C[C@@]34CCOC4)C[C@]2(C)C1 ZINC000933734837 734272211 /nfs/dbraw/zinc/27/22/11/734272211.db2.gz RWQTYOCITRDCJW-LJISPDSOSA-N 2 0 250.386 1.297 10 0 CDAERP CCCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923498198 734284120 /nfs/dbraw/zinc/28/41/20/734284120.db2.gz JYBGSXPHYFJHFA-IHRRRGAJSA-N 2 0 269.433 1.598 10 0 CDAERP [NH3+]C[C@@H]1CN(CCC[NH2+]C2CC2)C[C@@H]1C(F)(F)F ZINC000923423304 734290066 /nfs/dbraw/zinc/29/00/66/734290066.db2.gz ALTMUVSWIHZYEL-KOLCDFICSA-N 2 0 265.323 1.198 10 0 CDAERP C(C[C@H]1CCCO1)[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000925776072 734300663 /nfs/dbraw/zinc/30/06/63/734300663.db2.gz VLYOYPTYAUPEJD-APIJFGDWSA-N 2 0 268.401 1.302 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccccc2)CC[C@H]1C[NH3+] ZINC000923506464 734300724 /nfs/dbraw/zinc/30/07/24/734300724.db2.gz FPCRCVJHPUHUNZ-ZBFHGGJFSA-N 2 0 289.423 1.562 10 0 CDAERP CCN(CC)[C@H](C)C[NH2+][C@H](C)C[C@H]1CCC(=O)N1 ZINC000926329114 734312304 /nfs/dbraw/zinc/31/23/04/734312304.db2.gz BOHGIVHZARKLRX-JHJVBQTASA-N 2 0 255.406 1.364 10 0 CDAERP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925845173 734316712 /nfs/dbraw/zinc/31/67/12/734316712.db2.gz XKAHDMDJAVDENT-LCGIIJARSA-N 2 0 263.429 1.591 10 0 CDAERP CCCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923498200 734334792 /nfs/dbraw/zinc/33/47/92/734334792.db2.gz JYBGSXPHYFJHFA-MELADBBJSA-N 2 0 269.433 1.598 10 0 CDAERP NC(=O)CC1CC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000718406357 734341895 /nfs/dbraw/zinc/34/18/95/734341895.db2.gz RILUACACQWDWTD-PNKMZZHYSA-N 2 0 265.401 1.151 10 0 CDAERP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000825341642 734344699 /nfs/dbraw/zinc/34/46/99/734344699.db2.gz PPLVSNWDLCTGDV-MWDXBVQZSA-N 2 0 294.439 1.521 10 0 CDAERP CC1(C)[C@H](NCC2([NH3+])CCCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925708794 734359131 /nfs/dbraw/zinc/35/91/31/734359131.db2.gz DHPLEYGAKLUDMB-FRRDWIJNSA-N 2 0 251.418 1.624 10 0 CDAERP C[NH+](C)CCN(C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)C1CCCC1 ZINC000713221528 734368080 /nfs/dbraw/zinc/36/80/80/734368080.db2.gz MXFPBHQTFAGYGB-WWGRRREGSA-N 2 0 279.428 1.447 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CCC([NH+]2CCCCC2)CC1 ZINC000111273246 734371146 /nfs/dbraw/zinc/37/11/46/734371146.db2.gz YHQBCMXLWNLJIF-CABCVRRESA-N 2 0 265.445 1.792 10 0 CDAERP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000924966462 734371571 /nfs/dbraw/zinc/37/15/71/734371571.db2.gz OFVRMNPTPGKQQG-ZSHCYNCHSA-N 2 0 283.460 1.275 10 0 CDAERP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925636646 734373416 /nfs/dbraw/zinc/37/34/16/734373416.db2.gz ZGVANNNHLXEIFP-NZBPQXDJSA-N 2 0 254.418 1.904 10 0 CDAERP [NH3+][C@H](CC(F)F)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000388369715 734390414 /nfs/dbraw/zinc/39/04/14/734390414.db2.gz KNHGBVLEMPYYGU-CYBMUJFWSA-N 2 0 275.387 1.777 10 0 CDAERP [NH3+][C@H](CN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1)C1CC1 ZINC000925697405 734401230 /nfs/dbraw/zinc/40/12/30/734401230.db2.gz FUMCXIGMZHYZHN-KFWWJZLASA-N 2 0 251.418 1.482 10 0 CDAERP OCc1cc(N2CCC(C[NH+]3CCCC3)CC2)cc[nH+]1 ZINC000062033487 734419654 /nfs/dbraw/zinc/41/96/54/734419654.db2.gz QUHLHTLZAJPTKT-UHFFFAOYSA-N 2 0 275.396 1.886 10 0 CDAERP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CCO[C@H]2CCOC2)CC1 ZINC000923376192 734433119 /nfs/dbraw/zinc/43/31/19/734433119.db2.gz VHYPHBJODZXCGV-XHSDSOJGSA-N 2 0 298.427 1.010 10 0 CDAERP CC(C)[NH2+]CCC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000720885918 734445643 /nfs/dbraw/zinc/44/56/43/734445643.db2.gz FUYMOHKKFUARTO-CHWSQXEVSA-N 2 0 253.390 1.070 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@H]1CCn2cncc21 ZINC000857978788 734457515 /nfs/dbraw/zinc/45/75/15/734457515.db2.gz KXDVQSYIJQXJRP-STQMWFEESA-N 2 0 276.384 1.709 10 0 CDAERP CCc1onc(C)c1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923490987 734474417 /nfs/dbraw/zinc/47/44/17/734474417.db2.gz GPWNDIBIPRMVKK-JQWIXIFHSA-N 2 0 251.374 1.962 10 0 CDAERP NC(=O)C12CCC(CC1)[N@@H+]2CCCC1CC[NH2+]CC1 ZINC000923531749 734478798 /nfs/dbraw/zinc/47/87/98/734478798.db2.gz URZUUHJCCRHQHH-UHFFFAOYSA-N 2 0 265.401 1.249 10 0 CDAERP Cn1nc(C[N@H+](C)C2CCC([NH3+])CC2)cc1Cl ZINC000706144745 734505928 /nfs/dbraw/zinc/50/59/28/734505928.db2.gz VCGLBYRETOJDDT-UHFFFAOYSA-N 2 0 256.781 1.775 10 0 CDAERP [NH3+]CCOCC[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000866697265 734525990 /nfs/dbraw/zinc/52/59/90/734525990.db2.gz LHXUGPKUJKIXQL-CQSZACIVSA-N 2 0 256.390 1.385 10 0 CDAERP FC(F)(F)[C@@H]1C[C@H]1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000925834617 734538777 /nfs/dbraw/zinc/53/87/77/734538777.db2.gz ZWNXAVLKCXVCNY-CKIKVBCHSA-N 2 0 292.345 1.932 10 0 CDAERP COCC[NH2+]C1CC[NH+](CCCCCCO)CC1 ZINC000846223336 734568519 /nfs/dbraw/zinc/56/85/19/734568519.db2.gz PNWVMMZLDSJJPX-UHFFFAOYSA-N 2 0 258.406 1.240 10 0 CDAERP C[C@@H]1[C@H](C)N(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CCN1C ZINC000810866039 734574203 /nfs/dbraw/zinc/57/42/03/734574203.db2.gz RBFIDNIRHJKOAJ-DVOMOZLQSA-N 2 0 299.434 1.750 10 0 CDAERP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879672656 734625426 /nfs/dbraw/zinc/62/54/26/734625426.db2.gz RIKRSQUIAUDBEI-IJLUTSLNSA-N 2 0 280.334 1.786 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000931663268 734645416 /nfs/dbraw/zinc/64/54/16/734645416.db2.gz JIMVWEPGBUHOOH-UONOGXRCSA-N 2 0 267.417 1.412 10 0 CDAERP CO[C@H](C[N@@H+]1[C@@H]2CC[C@H]1CN(C)CC2)[C@@H]1CCOC1 ZINC000931718742 734656948 /nfs/dbraw/zinc/65/69/48/734656948.db2.gz URJZHSMLGHONEJ-APIJFGDWSA-N 2 0 268.401 1.206 10 0 CDAERP C[C@@H]([NH3+])CN(C)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000861580119 734656526 /nfs/dbraw/zinc/65/65/26/734656526.db2.gz DEWZRUKKZXCFQI-LLVKDONJSA-N 2 0 296.390 1.376 10 0 CDAERP OC1(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)CCCCC1 ZINC000819084543 734668472 /nfs/dbraw/zinc/66/84/72/734668472.db2.gz MNSFGEGQNNOPEK-HNNXBMFYSA-N 2 0 296.455 1.772 10 0 CDAERP C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)CCCCC[NH3+] ZINC000720885279 734688448 /nfs/dbraw/zinc/68/84/48/734688448.db2.gz DEUGQXQKKCCKGF-OLZOCXBDSA-N 2 0 253.390 1.201 10 0 CDAERP CC(C)(C[NH3+])C1CC[NH+](C[C@@H]2C[C@H]3COC[C@@H]3O2)CC1 ZINC000724587361 734688205 /nfs/dbraw/zinc/68/82/05/734688205.db2.gz ASGSEHWRLATACA-QEJZJMRPSA-N 2 0 282.428 1.487 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000864064911 734688806 /nfs/dbraw/zinc/68/88/06/734688806.db2.gz FGPGYEDKAFQKKW-XQQFMLRXSA-N 2 0 267.417 1.316 10 0 CDAERP C[NH2+]C[C@@H](C)C(=O)N1c2ccccc2[C@@H]([NH3+])C1(C)C ZINC000867988402 734698329 /nfs/dbraw/zinc/69/83/29/734698329.db2.gz LGTCZWZTVDWFLY-ZWNOBZJWSA-N 2 0 261.369 1.667 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C=C1CC[NH2+]CC1 ZINC000852862299 734752216 /nfs/dbraw/zinc/75/22/16/734752216.db2.gz ZAEGPIQTNPCXGJ-KBPBESRZSA-N 2 0 279.428 1.533 10 0 CDAERP COC[C@H](O)C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923508303 734795860 /nfs/dbraw/zinc/79/58/60/734795860.db2.gz ULHVNRCVBPSKEG-UKRRQHHQSA-N 2 0 270.417 1.095 10 0 CDAERP CC[C@@H](C(=O)NC[C@H]1c2ccccc2CN1C)[NH+](C)C ZINC000826711168 734824351 /nfs/dbraw/zinc/82/43/51/734824351.db2.gz WVDVRUREDFUOPX-GJZGRUSLSA-N 2 0 275.396 1.630 10 0 CDAERP O[C@H](C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000819274127 734828287 /nfs/dbraw/zinc/82/82/87/734828287.db2.gz HKVSVKNVKBWLNU-NVXWUHKLSA-N 2 0 274.408 1.869 10 0 CDAERP C[C@@H]1CC[NH2+][C@H](C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000253148753 734838896 /nfs/dbraw/zinc/83/88/96/734838896.db2.gz BDRPPXITHVHTJS-OIYCOIKZSA-N 2 0 279.428 1.506 10 0 CDAERP C[C@@H]1C[C@H]1NC(=[NH2+])NC1CC([NH+]2CCCCC2)C1 ZINC000864464772 734846463 /nfs/dbraw/zinc/84/64/63/734846463.db2.gz HFSYVGHANHBXFM-IKWCTNDRSA-N 2 0 250.390 1.526 10 0 CDAERP CC[NH2+]CC1CC[NH+](CCO[C@@H]2CCOC2)CC1 ZINC000724923931 734856579 /nfs/dbraw/zinc/85/65/79/734856579.db2.gz GNTTWWIYBFKXOH-CQSZACIVSA-N 2 0 256.390 1.113 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+]([C@H]2CCN(C3CCC3)C2=O)C1 ZINC000866706731 734868620 /nfs/dbraw/zinc/86/86/20/734868620.db2.gz CMDNAMLJPFJDHA-WMLDXEAASA-N 2 0 293.455 1.837 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000925717981 734873000 /nfs/dbraw/zinc/87/30/00/734873000.db2.gz MHYYVAQXENVGGG-MELADBBJSA-N 2 0 256.390 1.147 10 0 CDAERP Cn1nc2c(c1C[NH2+]CC1=CC[N@H+](C)CC1)CCC2 ZINC000921969561 734883221 /nfs/dbraw/zinc/88/32/21/734883221.db2.gz YFOBARCTUXVSNF-UHFFFAOYSA-N 2 0 260.385 1.260 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCc1ccns1 ZINC000925733801 734889831 /nfs/dbraw/zinc/88/98/31/734889831.db2.gz XYJPELCACSNUPS-DLOVCJGASA-N 2 0 255.387 1.028 10 0 CDAERP C[C@@H]1[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CO[C@H]1C ZINC000925558513 734909325 /nfs/dbraw/zinc/90/93/25/734909325.db2.gz GCYVOKWXQNHRAY-AYIQCDPPSA-N 2 0 296.455 1.767 10 0 CDAERP O=C(N1CCC(C[NH+]2CCCC2)CC1)[C@]1(F)CC[NH2+]C1 ZINC000165057530 734910651 /nfs/dbraw/zinc/91/06/51/734910651.db2.gz HJNPEJWTMZRZRW-HNNXBMFYSA-N 2 0 283.391 1.022 10 0 CDAERP C[NH+](C)CCOc1ccccc1C[NH2+]C[C@H](O)C1CC1 ZINC000818984331 734919505 /nfs/dbraw/zinc/91/95/05/734919505.db2.gz DYGMSTWCTJEFAV-HNNXBMFYSA-N 2 0 278.396 1.488 10 0 CDAERP CN(C)C(=O)CCC[N@@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC000931313799 734940551 /nfs/dbraw/zinc/94/05/51/734940551.db2.gz FWKJMFAUXDTIFZ-GASCZTMLSA-N 2 0 267.417 1.128 10 0 CDAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C=C1CC[NH2+]CC1 ZINC000852872491 734949774 /nfs/dbraw/zinc/94/97/74/734949774.db2.gz OQIHJEKOQJSBKS-CABCVRRESA-N 2 0 277.412 1.381 10 0 CDAERP C[C@H](NC(=O)C[N@@H+]1CC[C@@H](CC[NH3+])C1)c1ccc(F)cc1 ZINC000923487518 734960728 /nfs/dbraw/zinc/96/07/28/734960728.db2.gz FDHSDVGYPRZISN-QWHCGFSZSA-N 2 0 293.386 1.674 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)CC2(C[NH3+])CC2)C1 ZINC000870994912 734985446 /nfs/dbraw/zinc/98/54/46/734985446.db2.gz YACZJAOBZPUYAA-OAHLLOKOSA-N 2 0 267.417 1.339 10 0 CDAERP C[C@@H]1C[N@H+](Cc2cc(CO)ccc2F)CC[C@@H]1C[NH3+] ZINC000923489844 734990547 /nfs/dbraw/zinc/99/05/47/734990547.db2.gz MDTOSMJGTMVPSX-DGCLKSJQSA-N 2 0 266.360 1.735 10 0 CDAERP C[C@@H]1C[N@H+](CCOc2cccc(F)c2)C[C@H]1C[NH3+] ZINC000866674195 735012449 /nfs/dbraw/zinc/01/24/49/735012449.db2.gz VBYSAXIWTMPUSF-VXGBXAGGSA-N 2 0 252.333 1.731 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)NCC2([NH+](C)C)CC2)CC1 ZINC000921588504 735094004 /nfs/dbraw/zinc/09/40/04/735094004.db2.gz SSFWKORUAVPPJM-UHFFFAOYSA-N 2 0 296.459 1.500 10 0 CDAERP FC1(C2CC2)CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000724802396 735105375 /nfs/dbraw/zinc/10/53/75/735105375.db2.gz MNODARLZWDJVOW-UHFFFAOYSA-N 2 0 255.381 1.106 10 0 CDAERP CC[C@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)[C@@H]1CCCOC1 ZINC000872021664 735134284 /nfs/dbraw/zinc/13/42/84/735134284.db2.gz FAUMGJRFTHOONH-BBWFWOEESA-N 2 0 297.487 1.807 10 0 CDAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925786032 735139415 /nfs/dbraw/zinc/13/94/15/735139415.db2.gz NFBBOYZSZPIYQR-MDZLAQPJSA-N 3 0 262.401 1.355 10 0 CDAERP COC[C@H](C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1)C(C)C ZINC000929982404 735141106 /nfs/dbraw/zinc/14/11/06/735141106.db2.gz TYBMQFGISZCBLN-DLBZAZTESA-N 2 0 297.487 1.617 10 0 CDAERP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(Cl)cn1 ZINC000925813593 735171351 /nfs/dbraw/zinc/17/13/51/735171351.db2.gz XCEMDOHRLAIHLD-LLVKDONJSA-N 2 0 282.819 1.809 10 0 CDAERP C1C[NH2+][C@H](c2nc([C@@H]3CN4CCC[C@@H]4CO3)no2)C1 ZINC000091685775 735175252 /nfs/dbraw/zinc/17/52/52/735175252.db2.gz CBJPWEXHJBNYAD-VWYCJHECSA-N 2 0 264.329 1.030 10 0 CDAERP C[C@](O)(C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)c1ccsc1 ZINC000925623139 735179723 /nfs/dbraw/zinc/17/97/23/735179723.db2.gz PAZKIDIHKNQBKH-AGIUHOORSA-N 2 0 266.410 1.815 10 0 CDAERP CCN(C)C(=O)[C@@H]([NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)C(C)C ZINC000925681577 735191657 /nfs/dbraw/zinc/19/16/57/735191657.db2.gz OZNLBTKRAIBGBU-RDBSUJKOSA-N 2 0 283.460 1.985 10 0 CDAERP C[N@@H+]1C[C@@]2(C)CN(C(=O)CC[NH2+]C(C)(C)C)C[C@@]2(C)C1 ZINC000707091118 735193801 /nfs/dbraw/zinc/19/38/01/735193801.db2.gz XDUCKBLNSITNDV-IYBDPMFKSA-N 2 0 281.444 1.565 10 0 CDAERP CCC1([NH+](C)C)CCN(c2cc[nH+]c(CO)c2)CC1 ZINC000715294241 735201019 /nfs/dbraw/zinc/20/10/19/735201019.db2.gz IYNBQOPSBRBMEY-UHFFFAOYSA-N 2 0 263.385 1.885 10 0 CDAERP Cc1cc([C@H](C)[NH2+]CCN2CCC([NH3+])CC2)oc1C ZINC000925817889 735577456 /nfs/dbraw/zinc/57/74/56/735577456.db2.gz XBLGISPYJFHYSJ-LBPRGKRZSA-N 2 0 265.401 1.970 10 0 CDAERP C[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C[C@H]1CCC[NH+](C)C1 ZINC000705144128 735616663 /nfs/dbraw/zinc/61/66/63/735616663.db2.gz BVNGUJSZZNPCIM-HNSVSWJLSA-N 3 0 265.445 1.791 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000713006806 735639519 /nfs/dbraw/zinc/63/95/19/735639519.db2.gz BWCIYSHVRZPGRE-AWEZNQCLSA-N 2 0 283.460 1.985 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@](C)([NH3+])c2ccccc2)CC1 ZINC000052881711 735656872 /nfs/dbraw/zinc/65/68/72/735656872.db2.gz ZRYRXGIYWNEMEY-MRXNPFEDSA-N 2 0 275.396 1.413 10 0 CDAERP CCCCOCC[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923452070 735670158 /nfs/dbraw/zinc/67/01/58/735670158.db2.gz FGXULBWXZHDHJT-CQSZACIVSA-N 2 0 270.417 1.633 10 0 CDAERP Cc1cc(CN(C)C[C@H]2CCC[N@H+](C)C2)c(C)nn1 ZINC000929700297 735806013 /nfs/dbraw/zinc/80/60/13/735806013.db2.gz ZPXDVVPMGVJJSC-AWEZNQCLSA-N 2 0 262.401 1.867 10 0 CDAERP CCOC(=O)C12CC(C1)C[N@@H+]2CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923395921 735831941 /nfs/dbraw/zinc/83/19/41/735831941.db2.gz SIOIRVRLSDDKFB-JEPKBOEPSA-N 2 0 292.423 1.935 10 0 CDAERP C[N@H+](CCNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)C1CCCC1 ZINC000713420737 735868362 /nfs/dbraw/zinc/86/83/62/735868362.db2.gz XKTFACQPDZIXSP-XUJVJEKNSA-N 2 0 265.401 1.104 10 0 CDAERP C[C@@H]1[C@H](NC(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)CC[N@@H+]1C ZINC000922259466 735936528 /nfs/dbraw/zinc/93/65/28/735936528.db2.gz ZGJUYQNRAQRGNX-MCIONIFRSA-N 2 0 296.459 1.499 10 0 CDAERP O[C@@H](C[NH2+][C@@H]1CCOC12CCCCC2)C[NH+]1CCCC1 ZINC000924757999 736011645 /nfs/dbraw/zinc/01/16/45/736011645.db2.gz RXDFAMCWKCCBND-LSDHHAIUSA-N 2 0 282.428 1.525 10 0 CDAERP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000925882385 736058812 /nfs/dbraw/zinc/05/88/12/736058812.db2.gz OPWTVXHTLGNHEH-QEDMKZFNSA-N 3 0 297.446 1.632 10 0 CDAERP CC1(C)[C@@H]([NH2+]C[C@H]2CCCC[C@@H]2O)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925696462 736064126 /nfs/dbraw/zinc/06/41/26/736064126.db2.gz XCTMRCBSZXSKBI-MRLBHPIUSA-N 2 0 266.429 1.904 10 0 CDAERP C[C@@H](c1ccc(Cl)cc1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923460346 736214301 /nfs/dbraw/zinc/21/43/01/736214301.db2.gz MQGJXSVNWAKOQH-LBPRGKRZSA-N 2 0 267.804 1.896 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000925808121 736323487 /nfs/dbraw/zinc/32/34/87/736323487.db2.gz YBXNBJLYVKQQFP-QEYWKRMJSA-N 2 0 254.296 1.812 10 0 CDAERP C[C@H](CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)[N@@H+]1CCC[C@H](C)C1 ZINC000870866072 1165225034 /nfs/dbraw/zinc/22/50/34/1165225034.db2.gz LWCQHLQGVOUPRE-ADVQIIOHSA-N 2 0 279.428 1.350 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001691740110 1166853985 /nfs/dbraw/zinc/85/39/85/1166853985.db2.gz JUSOICGZVUXGQU-OKILXGFUSA-N 2 0 269.433 1.469 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+]CC1CC(C)C1 ZINC001568190548 1168095197 /nfs/dbraw/zinc/09/51/97/1168095197.db2.gz LTLKCLCSICIWCQ-ROKHWSDSSA-N 2 0 269.433 1.326 10 0 CDAERP CC[N@H+](CCCNC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001566598581 1168351428 /nfs/dbraw/zinc/35/14/28/1168351428.db2.gz WKNRNYPVHFKLEL-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CC1CC1 ZINC001567041682 1168524830 /nfs/dbraw/zinc/52/48/30/1168524830.db2.gz BJOZBMHXDLCJKV-LBPRGKRZSA-N 2 0 267.417 1.365 10 0 CDAERP CC[C@@H](C(=O)N1CC[C@@H](CC[NH2+]CCC2CC2)C1)[NH+](C)C ZINC001272565892 913452283 /nfs/dbraw/zinc/45/22/83/913452283.db2.gz PQPCGEDERWFEMW-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001266525350 895225101 /nfs/dbraw/zinc/22/51/01/895225101.db2.gz HWROHZRMAXZYLL-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP CCCC[N@H+](CCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001266619173 895606000 /nfs/dbraw/zinc/60/60/00/895606000.db2.gz BQAQIXNLUNTGTE-UHFFFAOYSA-N 2 0 267.417 1.463 10 0 CDAERP C[C@H](CO)CCC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693668234 897154879 /nfs/dbraw/zinc/15/48/79/897154879.db2.gz QPWKWZILCJPGAD-FQUUOJAGSA-N 2 0 254.418 1.761 10 0 CDAERP CC[C@@H](F)C[NH2+]CCN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001567561273 1168860792 /nfs/dbraw/zinc/86/07/92/1168860792.db2.gz HYDDDAFXRXKZDT-CYBMUJFWSA-N 2 0 289.439 1.760 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267725691 899399305 /nfs/dbraw/zinc/39/93/05/899399305.db2.gz XZEXKUHHYQZISJ-MHKRFPNSSA-N 2 0 281.444 1.873 10 0 CDAERP C[C@@H]1C[N@H+](CCC[NH+]2CCCCC2)CC[C@H]1C[NH3+] ZINC000695513942 899520554 /nfs/dbraw/zinc/52/05/54/899520554.db2.gz NIQIQEAFLLXGTR-CABCVRRESA-N 3 0 253.434 1.779 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)CC[NH2+]Cc1ccsc1)[NH+](C)C ZINC001481243590 899602292 /nfs/dbraw/zinc/60/22/92/899602292.db2.gz XRPJWUOSHKXSRI-AWEZNQCLSA-N 2 0 297.468 1.882 10 0 CDAERP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC=C(C)C ZINC001267801209 899764919 /nfs/dbraw/zinc/76/49/19/899764919.db2.gz SAFMNWVZPIZHAS-UONOGXRCSA-N 2 0 267.417 1.531 10 0 CDAERP CCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001267987116 900197720 /nfs/dbraw/zinc/19/77/20/900197720.db2.gz REHOUQCWSHPNOG-GXTWGEPZSA-N 2 0 267.417 1.080 10 0 CDAERP O[C@H](C[NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1)C[NH+]1CCCC1 ZINC000722400632 901331518 /nfs/dbraw/zinc/33/15/18/901331518.db2.gz JVEXLEGXSJSHFC-WOPDTQHZSA-N 2 0 296.333 1.143 10 0 CDAERP C[NH+](C)CCCC(=O)NCC1C[NH+](CC2=CCCCC2)C1 ZINC001481640472 901569614 /nfs/dbraw/zinc/56/96/14/901569614.db2.gz AGWKMRXEAMVRGX-UHFFFAOYSA-N 2 0 293.455 1.877 10 0 CDAERP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1csc(C)c1 ZINC001481847751 902212487 /nfs/dbraw/zinc/21/24/87/902212487.db2.gz HEXONLYSBJOOFR-CQSZACIVSA-N 2 0 297.468 1.993 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CCC(F)(F)F ZINC001268524102 902504347 /nfs/dbraw/zinc/50/43/47/902504347.db2.gz SNJSFNDSRHSHDG-KXMPLOMGSA-N 2 0 293.333 1.295 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)C[NH2+]CCCF)CC[N@@H+]1C ZINC001482103535 902649465 /nfs/dbraw/zinc/64/94/65/902649465.db2.gz VWCRNSCIPDNZTQ-MELADBBJSA-N 2 0 287.423 1.418 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+][C@H](C)COC ZINC001268630437 902845896 /nfs/dbraw/zinc/84/58/96/902845896.db2.gz KWGNITPTXAETTN-YOVCOIKASA-N 2 0 297.443 1.158 10 0 CDAERP CC(C)[NH2+]C/C=C\CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001268630420 902845784 /nfs/dbraw/zinc/84/57/84/902845784.db2.gz KPILRHPZMOJVQW-IYKSTZQJSA-N 2 0 281.444 1.777 10 0 CDAERP CN(CCC[NH2+]CC1CCC1)C(=O)C[N@H+](C)C1CCC1 ZINC001268797136 903138863 /nfs/dbraw/zinc/13/88/63/903138863.db2.gz GHAYOGBQWLAPFS-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CC[NH2+][C@H](CC)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001269453072 903825260 /nfs/dbraw/zinc/82/52/60/903825260.db2.gz BBGMFMRFUDTNOM-RWMBFGLXSA-N 2 0 255.406 1.221 10 0 CDAERP O=C(CC[N@H+]1CC[C@H](F)C1)N1CCC([NH+]2CCC2)CC1 ZINC001362997681 904197117 /nfs/dbraw/zinc/19/71/17/904197117.db2.gz JABXZXULALZTNG-ZDUSSCGKSA-N 2 0 283.391 1.117 10 0 CDAERP CC(C)C[NH2+]C[C@H](C)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482353359 905176715 /nfs/dbraw/zinc/17/67/15/905176715.db2.gz HVHSZHUSRTUSRM-UONOGXRCSA-N 2 0 269.433 1.421 10 0 CDAERP C[C@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]C/C=C\Cl ZINC001423144294 906157631 /nfs/dbraw/zinc/15/76/31/906157631.db2.gz CBVJTWZAFJBFJK-RMKKPPKKSA-N 2 0 287.835 1.517 10 0 CDAERP CC(C)[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001482482838 906244283 /nfs/dbraw/zinc/24/42/83/906244283.db2.gz NHIZHABBUZODMQ-CABCVRRESA-N 2 0 283.460 1.952 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@H](C[NH2+]CCF)C1CCCCC1 ZINC001271353385 906264558 /nfs/dbraw/zinc/26/45/58/906264558.db2.gz DRWFVDPVPGFXDT-OAHLLOKOSA-N 2 0 299.434 1.706 10 0 CDAERP CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)CCC ZINC001271748838 906771661 /nfs/dbraw/zinc/77/16/61/906771661.db2.gz BBQZVDLIZSYNGJ-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP Cc1oncc1C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001482817587 908403916 /nfs/dbraw/zinc/40/39/16/908403916.db2.gz YVFRSLAHKOGLLN-SMDDNHRTSA-N 2 0 294.399 1.062 10 0 CDAERP CC(C)C[NH2+]CC[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001482877311 908454914 /nfs/dbraw/zinc/45/49/14/908454914.db2.gz ORPXRTTTYXLXRZ-AWEZNQCLSA-N 2 0 283.460 1.859 10 0 CDAERP CC[NH2+][C@H](C)CNC(=O)C[C@@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000841850385 908708149 /nfs/dbraw/zinc/70/81/49/908708149.db2.gz PWUGDVIVHVNFJT-ZYHUDNBSSA-N 2 0 298.818 1.548 10 0 CDAERP Cc1cncc(C[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C(C)C)c1 ZINC001483198037 909959972 /nfs/dbraw/zinc/95/99/72/909959972.db2.gz VIGLMKKTBKAADV-CQSZACIVSA-N 2 0 292.427 1.325 10 0 CDAERP C[C@H](CC[NH2+]CCC(F)(F)F)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001497153692 911280632 /nfs/dbraw/zinc/28/06/32/911280632.db2.gz GVMLDULSWIFAGY-MNOVXSKESA-N 2 0 295.349 1.517 10 0 CDAERP CCN(CC[NH2+]CCC(C)C)C(=O)C1CC[NH+](C)CC1 ZINC001273589042 921703322 /nfs/dbraw/zinc/70/33/22/921703322.db2.gz XTYAQHLYVAPTCG-UHFFFAOYSA-N 2 0 283.460 1.812 10 0 CDAERP CCN(CC[NH2+]CCC(C)(C)C)C(=O)CC[NH+](C)C ZINC001273589041 921704058 /nfs/dbraw/zinc/70/40/58/921704058.db2.gz XSWKXGAMXUELNJ-UHFFFAOYSA-N 2 0 271.449 1.812 10 0 CDAERP CCCC[N@@H+]1CC[C@@](C)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001484067546 915372998 /nfs/dbraw/zinc/37/29/98/915372998.db2.gz KGMHAUWOIUMFDH-GOEBONIOSA-N 2 0 281.444 1.709 10 0 CDAERP CCCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001484548728 915879013 /nfs/dbraw/zinc/87/90/13/915879013.db2.gz DUFQLLIVPUDKPK-HUUCEWRRSA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001568178727 1169163973 /nfs/dbraw/zinc/16/39/73/1169163973.db2.gz GUTHYSGMWLHTNO-HNNXBMFYSA-N 2 0 293.455 1.923 10 0 CDAERP COC[C@H](CC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)OC ZINC000925714855 932931022 /nfs/dbraw/zinc/93/10/22/932931022.db2.gz YBSZWEJLYQSETC-AGIUHOORSA-N 2 0 258.406 1.534 10 0 CDAERP CCC[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001485180702 916631120 /nfs/dbraw/zinc/63/11/20/916631120.db2.gz GBSGMBBHUMJZAD-CHWSQXEVSA-N 2 0 269.433 1.754 10 0 CDAERP CCCCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001485302704 916812041 /nfs/dbraw/zinc/81/20/41/916812041.db2.gz NMSOGUJDSUSKHI-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](F)CC[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001485384476 916920259 /nfs/dbraw/zinc/92/02/59/916920259.db2.gz VSUNLELYJOXHBJ-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP C[C@@H](C[NH2+]CC1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001568273277 1169215646 /nfs/dbraw/zinc/21/56/46/1169215646.db2.gz KGDAFKXCBVFRIU-OUCADQQQSA-N 2 0 267.417 1.173 10 0 CDAERP C[C@H](CC[NH2+]CC1CCC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001272890153 919979601 /nfs/dbraw/zinc/97/96/01/919979601.db2.gz UBKAUPXLZGRLSU-CQSZACIVSA-N 2 0 293.455 1.899 10 0 CDAERP CC(C)[C@@H](C(=O)NCC1=CC[N@H+](CCCF)CC1)[NH+](C)C ZINC001486508866 921084415 /nfs/dbraw/zinc/08/44/15/921084415.db2.gz IBYASRPRHZVDTB-HNNXBMFYSA-N 2 0 299.434 1.681 10 0 CDAERP CC[NH2+]CC[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001273052508 921828974 /nfs/dbraw/zinc/82/89/74/921828974.db2.gz LPYVAXACUYZBNB-LBPRGKRZSA-N 2 0 255.406 1.223 10 0 CDAERP CC/C=C/CC[NH2+][C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001490921532 936832572 /nfs/dbraw/zinc/83/25/72/936832572.db2.gz GNRKMYPOUGWZQH-HSDLRMROSA-N 2 0 293.455 1.921 10 0 CDAERP CC(C)(C)CC[NH2+][C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001490946165 936834150 /nfs/dbraw/zinc/83/41/50/936834150.db2.gz OOBPWOZJGQFWQL-HDJSIYSDSA-N 2 0 293.455 1.755 10 0 CDAERP CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001490982834 936837473 /nfs/dbraw/zinc/83/74/73/936837473.db2.gz MSGASOBGVSXFPH-HUUCEWRRSA-N 2 0 293.455 1.661 10 0 CDAERP CC[N@@H+](Cc1ccccn1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923322281 923743006 /nfs/dbraw/zinc/74/30/06/923743006.db2.gz KIOLOROYIFKLTC-CQSZACIVSA-N 2 0 261.369 1.282 10 0 CDAERP C[C@@H]1C[N@H+](CCC(=O)NC2CCCC2)CC[C@H]1C[NH3+] ZINC000923501060 923887159 /nfs/dbraw/zinc/88/71/59/923887159.db2.gz YWARMBGTGKPZIC-OLZOCXBDSA-N 2 0 267.417 1.352 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001568370224 1169264255 /nfs/dbraw/zinc/26/42/55/1169264255.db2.gz YWHANJILFYGQLK-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[N@H+](CCC2CC2)CC1(C)C ZINC001410030043 924276489 /nfs/dbraw/zinc/27/64/89/924276489.db2.gz OKMZYBYIJRTAAD-AWEZNQCLSA-N 2 0 281.444 1.565 10 0 CDAERP CCN(CC[NH2+]Cc1ccns1)C(=O)C[NH+]1CCCC1 ZINC001273751962 925211149 /nfs/dbraw/zinc/21/11/49/925211149.db2.gz ARYKJMMEDOYLPK-UHFFFAOYSA-N 2 0 296.440 1.177 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001488656399 926640592 /nfs/dbraw/zinc/64/05/92/926640592.db2.gz XCFGQFUPQGKMRH-CYBMUJFWSA-N 2 0 255.406 1.127 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001488741724 926692786 /nfs/dbraw/zinc/69/27/86/926692786.db2.gz QMHQWCXPNGKLJN-OKILXGFUSA-N 2 0 281.444 1.755 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@]12CCC[C@H]1[N@H+](CCCF)CC2 ZINC001410884383 926722755 /nfs/dbraw/zinc/72/27/55/926722755.db2.gz BDVCXBJGJAFAQC-UKRRQHHQSA-N 2 0 285.407 1.411 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCCC[NH+](C)CC1CC1 ZINC001490280946 927076539 /nfs/dbraw/zinc/07/65/39/927076539.db2.gz BOKAPRRAMVANFG-UHFFFAOYSA-N 2 0 255.406 1.175 10 0 CDAERP CC[NH+]1CCC2(C[C@@H]2NC(=O)CCCC[NH+](C)C)CC1 ZINC001490606013 927259625 /nfs/dbraw/zinc/25/96/25/927259625.db2.gz PBDPDFYPBYPHHZ-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)C[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001490661440 927290725 /nfs/dbraw/zinc/29/07/25/927290725.db2.gz MWGKIUOFFICPEN-HZPDHXFCSA-N 2 0 295.471 2.000 10 0 CDAERP CCOC[C@@H](O)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000692873004 937235718 /nfs/dbraw/zinc/23/57/18/937235718.db2.gz NKCAYXPYVUSTTM-GJZGRUSLSA-N 2 0 270.417 1.095 10 0 CDAERP CC(C)[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001568493396 1169329015 /nfs/dbraw/zinc/32/90/15/1169329015.db2.gz RSWXYZBKYZRFMJ-KBPBESRZSA-N 2 0 269.433 1.515 10 0 CDAERP CC(C)COCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001275721139 931978230 /nfs/dbraw/zinc/97/82/30/931978230.db2.gz RMXWIBFJWWNUMU-GJZGRUSLSA-N 2 0 299.459 1.047 10 0 CDAERP [NH3+]CCCCCC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000846221128 931995274 /nfs/dbraw/zinc/99/52/74/931995274.db2.gz SUOKGUFIARHTHF-HUUCEWRRSA-N 3 0 253.434 1.970 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)[C@H](C)CC[NH+](C)C)CC1 ZINC001411846735 932068413 /nfs/dbraw/zinc/06/84/13/932068413.db2.gz IKIMNPYQMZOSKX-CQSZACIVSA-N 2 0 283.460 1.812 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)CC[NH+](C)C)C[C@H]1C ZINC001412578715 932517065 /nfs/dbraw/zinc/51/70/65/932517065.db2.gz NQQHBIDSRLNRST-ZNMIVQPWSA-N 2 0 283.460 1.905 10 0 CDAERP CO[C@@H](C)C[NH2+]CCCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001276258994 932694348 /nfs/dbraw/zinc/69/43/48/932694348.db2.gz QKODITVRJIBOHH-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)C12CCC[NH+]1CCC2 ZINC001118569881 937641851 /nfs/dbraw/zinc/64/18/51/937641851.db2.gz QOOILIXVUZWLEU-GFCCVEGCSA-N 2 0 253.390 1.104 10 0 CDAERP CCOC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000926222643 932975346 /nfs/dbraw/zinc/97/53/46/932975346.db2.gz COBKZAIRLTVMSM-AVOUXACISA-N 2 0 270.417 1.643 10 0 CDAERP C[N@@H+]1CCC[C@]2(CCN(C(=O)CC[NH+]3CC[C@@H](F)C3)C2)C1 ZINC001413001489 935157375 /nfs/dbraw/zinc/15/73/75/935157375.db2.gz KQRYMEVFQOTAIU-ZBFHGGJFSA-N 2 0 297.418 1.365 10 0 CDAERP C[N@@H+]1C[C@]23C[NH+](CC[C@@H]4CCNC4=O)C[C@@]2(C1)CCCC3 ZINC001413091389 935898801 /nfs/dbraw/zinc/89/88/01/935898801.db2.gz GCKXUDZHYXSDDX-BHYGNILZSA-N 2 0 291.439 1.320 10 0 CDAERP C[C@@H]([NH2+][C@H]1CCCc2c1cnn2C)C1CC[NH2+]CC1 ZINC000400321688 940846931 /nfs/dbraw/zinc/84/69/31/940846931.db2.gz BIQCJRYNJDJSLJ-RISCZKNCSA-N 2 0 262.401 1.775 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CCC2CC2)C1)[NH+](C)C ZINC001277074324 941915481 /nfs/dbraw/zinc/91/54/81/941915481.db2.gz DGZYZXSAFGDKSF-RBSFLKMASA-N 2 0 281.444 1.611 10 0 CDAERP O=C(CC[N@H+]1CC[C@@H](F)C1)N[C@H]1CC[NH+](CC2CC2)C1 ZINC001362080162 970860207 /nfs/dbraw/zinc/86/02/07/970860207.db2.gz PSHMDCQGEUTPCT-KGLIPLIRSA-N 2 0 283.391 1.021 10 0 CDAERP C[C@H]1CC[C@@H](C[NH+]2CCC(O)(C[NH+]3CCCCC3)CC2)O1 ZINC001473877607 970874616 /nfs/dbraw/zinc/87/46/16/970874616.db2.gz VYNFSQFNLBZWRI-HOTGVXAUSA-N 2 0 296.455 1.867 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)CC[N@@H+]2CC[C@H](F)C2)CC1 ZINC001362115937 970905005 /nfs/dbraw/zinc/90/50/05/970905005.db2.gz SWLJUHGAZBENRD-ZDUSSCGKSA-N 2 0 285.407 1.363 10 0 CDAERP CC(C)[N@H+](C)CCOCCNC(=O)C12CCC[NH+]1CCC2 ZINC001277501148 942836952 /nfs/dbraw/zinc/83/69/52/942836952.db2.gz JBIODTLHBHTBOG-UHFFFAOYSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001283652954 942958389 /nfs/dbraw/zinc/95/83/89/942958389.db2.gz NEEKLOOBHJSOJE-UONOGXRCSA-N 2 0 269.433 1.563 10 0 CDAERP CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001283655086 942961468 /nfs/dbraw/zinc/96/14/68/942961468.db2.gz YCQSROORXTVGPJ-OLZOCXBDSA-N 2 0 255.406 1.317 10 0 CDAERP COCCC[NH2+][C@H](C)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001283679107 942965950 /nfs/dbraw/zinc/96/59/50/942965950.db2.gz UOOLCKGVXGCOKR-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CC ZINC001332782604 943161767 /nfs/dbraw/zinc/16/17/67/943161767.db2.gz HVFNFJGBKXGBIG-KGLIPLIRSA-N 2 0 267.417 1.461 10 0 CDAERP CC[NH2+]CCOCCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001284879092 943272062 /nfs/dbraw/zinc/27/20/62/943272062.db2.gz ZTVCJUYKXFGFCD-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001263817676 943984952 /nfs/dbraw/zinc/98/49/52/943984952.db2.gz ZQBHDJINNBHAEC-ZIAGYGMSSA-N 2 0 267.417 1.271 10 0 CDAERP CC[NH2+][C@H]1C[C@@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001264411359 944129236 /nfs/dbraw/zinc/12/92/36/944129236.db2.gz HDCWYTVMVSFHBA-GASCZTMLSA-N 2 0 281.444 1.757 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001265612969 944447782 /nfs/dbraw/zinc/44/77/82/944447782.db2.gz FVXLXWPBSQYPKN-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP COCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001265783717 944508043 /nfs/dbraw/zinc/50/80/43/944508043.db2.gz PDIOCXAGMWLAJZ-ZFWWWQNUSA-N 2 0 297.443 1.134 10 0 CDAERP CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CCC1CC1)[NH+](C)C ZINC001277987905 944524810 /nfs/dbraw/zinc/52/48/10/944524810.db2.gz KXFDPPDJYVOICM-OCCSQVGLSA-N 2 0 269.433 1.563 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001277996636 944541011 /nfs/dbraw/zinc/54/10/11/944541011.db2.gz CGFVHLZPPSBWEQ-AWEZNQCLSA-N 2 0 267.417 1.463 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CC[C@H]([NH2+]C/C=C\Cl)C1 ZINC001265941578 944586599 /nfs/dbraw/zinc/58/65/99/944586599.db2.gz CVSHDZLGVZYFBB-UJZCVKTISA-N 2 0 287.835 1.661 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCCC[NH+](C)C[C@H]1CC[C@H](C)O1 ZINC001265978559 944610562 /nfs/dbraw/zinc/61/05/62/944610562.db2.gz QKOKTGMZSQOJCT-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP CCCC[NH2+]C[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001266029134 944643336 /nfs/dbraw/zinc/64/33/36/944643336.db2.gz KYOQKZKHSJWCCR-CABCVRRESA-N 2 0 283.460 1.811 10 0 CDAERP CCOCCC[NH+]1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001266189497 944743044 /nfs/dbraw/zinc/74/30/44/944743044.db2.gz GFZOVQJPCKNWAN-UHFFFAOYSA-N 2 0 299.459 1.288 10 0 CDAERP CO[C@@H](C)C[NH2+]C/C=C/CNC(=O)CC1CC[NH+](C)CC1 ZINC001568930507 1169553579 /nfs/dbraw/zinc/55/35/79/1169553579.db2.gz HTXUKVULMMQEEM-NNTXTVRGSA-N 2 0 297.443 1.015 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]C(C)C ZINC001568995757 1169584774 /nfs/dbraw/zinc/58/47/74/1169584774.db2.gz BPMNGZUBBRQKFL-OLZOCXBDSA-N 2 0 255.406 1.364 10 0 CDAERP CC(C)[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001279024174 948612007 /nfs/dbraw/zinc/61/20/07/948612007.db2.gz GSFVEIMNDDKMQL-QWHCGFSZSA-N 2 0 255.406 1.173 10 0 CDAERP C[NH+](C)CCCCC(=O)N[C@@H]1CC12CC[NH+](CCF)CC2 ZINC001479987233 971525773 /nfs/dbraw/zinc/52/57/73/971525773.db2.gz XDFIFPLEJNSQRS-CQSZACIVSA-N 2 0 299.434 1.659 10 0 CDAERP CCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001480122732 971586510 /nfs/dbraw/zinc/58/65/10/971586510.db2.gz SUSXBXDMOKZSPF-KGLIPLIRSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001480209156 971628441 /nfs/dbraw/zinc/62/84/41/971628441.db2.gz DQBVRHGSFUIKNF-ZNMIVQPWSA-N 2 0 283.460 1.856 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001480591128 971797641 /nfs/dbraw/zinc/79/76/41/971797641.db2.gz BXYNTONKEROTEF-CABCVRRESA-N 2 0 297.443 1.015 10 0 CDAERP CC[NH2+][C@H](C)CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001480770793 971873022 /nfs/dbraw/zinc/87/30/22/971873022.db2.gz IXGOWEXVLOORQB-CHWSQXEVSA-N 2 0 255.406 1.365 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@]1(C)CC[NH+](CCCCCF)C1 ZINC001324590155 953457467 /nfs/dbraw/zinc/45/74/67/953457467.db2.gz UJTCEJIVEAWCDZ-GOEBONIOSA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H](CC[NH+](C)C)C2)C1 ZINC001363566416 953463251 /nfs/dbraw/zinc/46/32/51/953463251.db2.gz YGEFSNASOUXJNO-JKSUJKDBSA-N 2 0 295.471 1.907 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001569152029 1169694024 /nfs/dbraw/zinc/69/40/24/1169694024.db2.gz STEDZUQKYIDPRP-KBPBESRZSA-N 2 0 267.417 1.341 10 0 CDAERP CCC[NH2+]C[C@]1(C)CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001324818275 953588767 /nfs/dbraw/zinc/58/87/67/953588767.db2.gz VBVWXYOMFVIDTL-INIZCTEOSA-N 2 0 283.460 1.957 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NC[C@H]2CCCC[N@H+](C)C2)C1 ZINC001363996252 954110718 /nfs/dbraw/zinc/11/07/18/954110718.db2.gz YTMOAZNYCYFBAR-OAGGEKHMSA-N 2 0 295.471 1.955 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC001364042367 954155734 /nfs/dbraw/zinc/15/57/34/954155734.db2.gz JZFGXQNLGPXUNJ-CYBMUJFWSA-N 2 0 291.395 1.699 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001493232946 971991839 /nfs/dbraw/zinc/99/18/39/971991839.db2.gz HHNUOCOWDBJPKL-NFAHFFEMSA-N 2 0 281.444 1.733 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)[C@H]3CCCC[C@H]3[NH3+])C[C@@H]21 ZINC001328491982 955308553 /nfs/dbraw/zinc/30/85/53/955308553.db2.gz ITTUEWOLWMOTAU-QSLWVIQJSA-N 2 0 265.401 1.090 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@@H]1CCC[C@H]([NH2+]C/C=C/Cl)C1 ZINC001491894227 955495443 /nfs/dbraw/zinc/49/54/43/955495443.db2.gz NHTVASSFNWCFOK-QFVHEQCKSA-N 2 0 299.846 1.852 10 0 CDAERP C[NH+](C)CCCC(=O)NC1CC(C[NH2+]CC2CC2)C1 ZINC001328904965 955543916 /nfs/dbraw/zinc/54/39/16/955543916.db2.gz OVZLSBRWPLHALB-UHFFFAOYSA-N 2 0 267.417 1.223 10 0 CDAERP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC001329148622 955719606 /nfs/dbraw/zinc/71/96/06/955719606.db2.gz LZFLPJIEYHGZDG-AIEDFZFUSA-N 2 0 268.401 1.158 10 0 CDAERP C[N@H+](CCC1CC1)C[C@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001422240502 955882576 /nfs/dbraw/zinc/88/25/76/955882576.db2.gz DNPWWVNNQDZSJA-JKSUJKDBSA-N 2 0 293.455 1.661 10 0 CDAERP CC[NH2+]Cc1ccccc1NC(=O)C[NH2+]CC(C)C ZINC001329465446 955931657 /nfs/dbraw/zinc/93/16/57/955931657.db2.gz LUHGSFJJYKUAAG-UHFFFAOYSA-N 2 0 263.385 1.980 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001494022792 972164071 /nfs/dbraw/zinc/16/40/71/972164071.db2.gz ZDPCWFFMWHSSAM-RBSFLKMASA-N 2 0 281.444 1.565 10 0 CDAERP CC[NH2+][C@@H](CCN(C)C(=O)[C@@]12CC[N@H+](C1)CCC2)C(C)C ZINC001422677737 956247613 /nfs/dbraw/zinc/24/76/13/956247613.db2.gz QPRNMUNBKHFITK-RDJZCZTQSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](C[N@H+](C)CC1CCC1)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001422864147 956411364 /nfs/dbraw/zinc/41/13/64/956411364.db2.gz SNINZFXHQFYXOK-HIFRSBDPSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001422987713 956495332 /nfs/dbraw/zinc/49/53/32/956495332.db2.gz NGNPGPDOCFILPV-GJZGRUSLSA-N 2 0 281.444 1.563 10 0 CDAERP CC[C@@H](C(=O)NC1CCC([NH2+]CCO)CC1)[NH+](CC)CC ZINC001366246996 956666025 /nfs/dbraw/zinc/66/60/25/956666025.db2.gz GRLGAFOUNHRMQM-NRXISQOPSA-N 2 0 299.459 1.116 10 0 CDAERP C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]C/C=C/Cl ZINC001366275249 956705169 /nfs/dbraw/zinc/70/51/69/956705169.db2.gz POOKQKWNRDOMOU-GGFAISIISA-N 2 0 285.819 1.175 10 0 CDAERP CCC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC1C[NH+](C)C1 ZINC001330928583 956709244 /nfs/dbraw/zinc/70/92/44/956709244.db2.gz WZRWAXPVXMVSLA-CQSZACIVSA-N 2 0 267.417 1.271 10 0 CDAERP CC[C@H](C)C[NH+]1CC(N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001423440154 956787872 /nfs/dbraw/zinc/78/78/72/956787872.db2.gz XWIVZFDSXOALDJ-DZGCQCFKSA-N 2 0 283.460 1.761 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CC2CCC2)C1 ZINC001423945554 957047275 /nfs/dbraw/zinc/04/72/75/957047275.db2.gz FVLHMANJEODUOY-ZBFHGGJFSA-N 2 0 295.471 1.812 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C[NH+]2CCCC2)CC1 ZINC001423959950 957058043 /nfs/dbraw/zinc/05/80/43/957058043.db2.gz GSBLLRSURINCMT-SHTZXODSSA-N 2 0 281.444 1.614 10 0 CDAERP O=C(C[NH+]1CCCC1)NCCC[N@@H+](CCF)C1CC1 ZINC001316926855 957130744 /nfs/dbraw/zinc/13/07/44/957130744.db2.gz GYCWCEYVCSSEPY-UHFFFAOYSA-N 2 0 271.380 1.022 10 0 CDAERP CC(C)[NH2+]CCCN(C)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001569261343 1169740791 /nfs/dbraw/zinc/74/07/91/1169740791.db2.gz MCLBYGOSAJIAEG-HNNXBMFYSA-N 2 0 267.417 1.319 10 0 CDAERP COCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001317082129 957256035 /nfs/dbraw/zinc/25/60/35/957256035.db2.gz VZTDFWMDYLQPLN-KKUMJFAQSA-N 2 0 297.443 1.134 10 0 CDAERP CC[NH+]1CC(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001366983930 957315289 /nfs/dbraw/zinc/31/52/89/957315289.db2.gz HGTUCBFTLDJAQN-HNNXBMFYSA-N 2 0 285.407 1.267 10 0 CDAERP CCCCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C ZINC001331939937 957349842 /nfs/dbraw/zinc/34/98/42/957349842.db2.gz OKUSZCFPCMAMPN-LSDHHAIUSA-N 2 0 281.444 1.851 10 0 CDAERP CN(C(=O)C1(C[NH+](C)C)CC1)[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001367044413 957367262 /nfs/dbraw/zinc/36/72/62/957367262.db2.gz BFRVDLIADOFTGW-HNNXBMFYSA-N 2 0 293.455 1.661 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CCCF)CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001332031481 957407523 /nfs/dbraw/zinc/40/75/23/957407523.db2.gz YCQXEEDMXKFTMB-OLZOCXBDSA-N 2 0 285.407 1.267 10 0 CDAERP C[C@H]1C[C@H](N(C)C(=O)NCCCCCC[NH3+])CC[N@@H+]1C ZINC001332141120 957448880 /nfs/dbraw/zinc/44/88/80/957448880.db2.gz AXYIYDXPEOABQB-UONOGXRCSA-N 2 0 284.448 1.630 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCCCCF ZINC001317499157 957513150 /nfs/dbraw/zinc/51/31/50/957513150.db2.gz YHKLKWMFVKXBEH-HUUCEWRRSA-N 2 0 299.434 1.801 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001317531705 957535091 /nfs/dbraw/zinc/53/50/91/957535091.db2.gz CDVBKYFSRORURK-KGLIPLIRSA-N 2 0 267.417 1.176 10 0 CDAERP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2CCCC[C@H]2[NH3+])C1 ZINC001332416940 957555720 /nfs/dbraw/zinc/55/57/20/957555720.db2.gz RDLXYVUKVYSWND-QNWHQSFQSA-N 2 0 253.390 1.090 10 0 CDAERP CC(C)=CC[N@H+](CCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001317561948 957556088 /nfs/dbraw/zinc/55/60/88/957556088.db2.gz QWRCWQMXEKCEBN-UHFFFAOYSA-N 2 0 279.428 1.629 10 0 CDAERP CCCC[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001317664604 957628801 /nfs/dbraw/zinc/62/88/01/957628801.db2.gz LBTJPFVKJNBLGQ-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP CC(C)C[N@H+](CCCNC(=O)Cc1c[nH]cn1)C(C)C ZINC001317702159 957642788 /nfs/dbraw/zinc/64/27/88/957642788.db2.gz SOGYNJGPSKACFB-UHFFFAOYSA-N 2 0 280.416 1.825 10 0 CDAERP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C(C)C)[NH+](CC)CC ZINC001494672771 972284830 /nfs/dbraw/zinc/28/48/30/972284830.db2.gz LXICDIYOQQPCMI-KKUMJFAQSA-N 2 0 281.444 1.800 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1CC1)C(C)(C)C ZINC001426144365 957708785 /nfs/dbraw/zinc/70/87/85/957708785.db2.gz UFEHUNCOWDZZSA-KBPBESRZSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@](C)(C[NH2+]CC1CC1)C1CC1 ZINC001367190374 957837609 /nfs/dbraw/zinc/83/76/09/957837609.db2.gz OWTVDEQBTSSITH-INIZCTEOSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@H](NC(=O)C1([NH+](C)C)CCC1)C1CC[NH+](CCF)CC1 ZINC001426210756 957843809 /nfs/dbraw/zinc/84/38/09/957843809.db2.gz HMHUBIFYTBVSGO-ZDUSSCGKSA-N 2 0 299.434 1.657 10 0 CDAERP CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001332899702 957926491 /nfs/dbraw/zinc/92/64/91/957926491.db2.gz QWUMRBKOURXYSM-CHWSQXEVSA-N 2 0 269.433 1.469 10 0 CDAERP CCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](C)C1 ZINC001318304034 958021573 /nfs/dbraw/zinc/02/15/73/958021573.db2.gz MSMFCWLMWLOMDZ-ZIAGYGMSSA-N 2 0 267.417 1.461 10 0 CDAERP CN(CC[N@H+](C)CCC1CC1)C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001367547148 958127095 /nfs/dbraw/zinc/12/70/95/958127095.db2.gz HVPMBVWYCXNVBA-KRWDZBQOSA-N 2 0 293.455 1.663 10 0 CDAERP CCCC[NH2+]C[C@@](C)(NC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001318712042 958238786 /nfs/dbraw/zinc/23/87/86/958238786.db2.gz WSYHEGQWHZVRHJ-GDBMZVCRSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H](C[N@H+](C)CCCF)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001367838489 958417981 /nfs/dbraw/zinc/41/79/81/958417981.db2.gz KHHUDILNRASFLU-STQMWFEESA-N 2 0 273.396 1.267 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]CCF ZINC001319865220 958757316 /nfs/dbraw/zinc/75/73/16/958757316.db2.gz RQOHLJAZIACGON-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H](C[NH2+]CCF)C1CC1 ZINC001569306256 1169757425 /nfs/dbraw/zinc/75/74/25/1169757425.db2.gz KFLMEWGOUCJDBA-KGLIPLIRSA-N 2 0 285.407 1.315 10 0 CDAERP CCC[NH2+][C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)C ZINC001319943286 958801256 /nfs/dbraw/zinc/80/12/56/958801256.db2.gz HNERVMFLQDMLLC-KGLIPLIRSA-N 2 0 269.433 1.469 10 0 CDAERP CC[C@@H](C)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCC1 ZINC001368486644 958895247 /nfs/dbraw/zinc/89/52/47/958895247.db2.gz OFGJSOROVCWUND-ZIAGYGMSSA-N 2 0 281.444 1.755 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CCC2CC2)CC1 ZINC001368658403 959020749 /nfs/dbraw/zinc/02/07/49/959020749.db2.gz WCCXKJPWJCXTKK-HNNXBMFYSA-N 2 0 293.455 1.851 10 0 CDAERP O[C@@H]1CCC[C@H](C[NH2+][C@H]2CC[NH2+]C23CCCC3)C1 ZINC001334389473 959078778 /nfs/dbraw/zinc/07/87/78/959078778.db2.gz HMRHMLJWFVXBOK-MJBXVCDLSA-N 2 0 252.402 1.802 10 0 CDAERP CC[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1ocnc1C)[NH+](C)C ZINC001368743664 959099349 /nfs/dbraw/zinc/09/93/49/959099349.db2.gz NUMGMHUMDOODQJ-AAEUAGOBSA-N 2 0 296.415 1.308 10 0 CDAERP Cc1conc1C[NH2+][C@@H](C)CCNC(=O)C[N@H+](C)C(C)C ZINC001368755496 959105790 /nfs/dbraw/zinc/10/57/90/959105790.db2.gz PKHJDZSFHOQAQS-ZDUSSCGKSA-N 2 0 296.415 1.308 10 0 CDAERP C[C@H](F)CC[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001368801973 959142769 /nfs/dbraw/zinc/14/27/69/959142769.db2.gz HXFWYLMEPIOERB-LSDHHAIUSA-N 2 0 299.434 1.753 10 0 CDAERP C[N@H+](CCCF)C[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001368813586 959151534 /nfs/dbraw/zinc/15/15/34/959151534.db2.gz IMNCKROANKAUBJ-AWEZNQCLSA-N 2 0 297.418 1.365 10 0 CDAERP C[C@@H](CC[NH2+]CC1CC(C)C1)NC(=O)C1CC[NH+](C)CC1 ZINC001320542819 959231935 /nfs/dbraw/zinc/23/19/35/959231935.db2.gz LFQKEOATGKCGIF-SLTAFYQDSA-N 2 0 295.471 1.859 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)CCCF ZINC001368942051 959305090 /nfs/dbraw/zinc/30/50/90/959305090.db2.gz RPRZSCOJTIXQJQ-YNEHKIRRSA-N 2 0 273.396 1.123 10 0 CDAERP CCN(CC[NH2+]CCC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001320694116 959332775 /nfs/dbraw/zinc/33/27/75/959332775.db2.gz BJJDITMTMILHGY-NSHDSACASA-N 2 0 295.349 1.471 10 0 CDAERP CCN(CC[NH2+]CC1CCC1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001320738465 959362469 /nfs/dbraw/zinc/36/24/69/959362469.db2.gz VZFKLKQVQKQAHX-INIZCTEOSA-N 2 0 293.455 1.566 10 0 CDAERP CCN(CC[NH2+]CC[C@H](C)F)C(=O)C12CCC[NH+]1CCC2 ZINC001320781217 959388404 /nfs/dbraw/zinc/38/84/04/959388404.db2.gz FWORPJALFWKHMX-AWEZNQCLSA-N 2 0 299.434 1.801 10 0 CDAERP CC[C@@H](C(=O)NC/C=C\C[NH2+]CCC(F)(F)F)[NH+](C)C ZINC001321340010 959732175 /nfs/dbraw/zinc/73/21/75/959732175.db2.gz WLGGSVPSXPVNFL-GZTOBOFZSA-N 2 0 295.349 1.541 10 0 CDAERP CC(C)N(CC[N@H+](C)C(C)C)C(=O)C[NH+](C)C(C)C ZINC001369534074 959746217 /nfs/dbraw/zinc/74/62/17/959746217.db2.gz QMRRTCXANSGWKW-UHFFFAOYSA-N 2 0 271.449 1.904 10 0 CDAERP C[C@H](C[NH2+]CCF)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001321702715 959912647 /nfs/dbraw/zinc/91/26/47/959912647.db2.gz HVGQKDFVGXRBPZ-GFCCVEGCSA-N 2 0 285.407 1.172 10 0 CDAERP C[C@H](C[NH2+]CCc1cccs1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001321747524 959931047 /nfs/dbraw/zinc/93/10/47/959931047.db2.gz ZWAGRUIVWFKKPZ-OLZOCXBDSA-N 2 0 295.452 1.337 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001370015571 959957029 /nfs/dbraw/zinc/95/70/29/959957029.db2.gz JCIPXSSCTZGNKT-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP Cc1ccccc1C[NH2+][C@H](C)CNC(=O)CC[NH+](C)C ZINC001371341586 972478624 /nfs/dbraw/zinc/47/86/24/972478624.db2.gz CCFACNGSDMICQN-CQSZACIVSA-N 2 0 277.412 1.541 10 0 CDAERP CC1CC[NH+](CCNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001433611182 960446568 /nfs/dbraw/zinc/44/65/68/960446568.db2.gz GXUXYXQEQRTYKO-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH+](C)C)CC1 ZINC001433667553 960497934 /nfs/dbraw/zinc/49/79/34/960497934.db2.gz WGPSFEQQHZBLMM-MRXNPFEDSA-N 2 0 295.471 1.907 10 0 CDAERP CCC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1CC=C(C)C ZINC001323339444 960664043 /nfs/dbraw/zinc/66/40/43/960664043.db2.gz GMDYTKBUTKBFAG-HNNXBMFYSA-N 2 0 281.444 1.875 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)CC1CC1 ZINC001418572460 960741673 /nfs/dbraw/zinc/74/16/73/960741673.db2.gz ZRJSQMVNMLDDCZ-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)CC1CC1 ZINC001418572459 960744604 /nfs/dbraw/zinc/74/46/04/960744604.db2.gz ZRJSQMVNMLDDCZ-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)C1(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)CCCC1 ZINC001434041689 960920502 /nfs/dbraw/zinc/92/05/02/960920502.db2.gz NIUCVWJRGMLUTP-MRXNPFEDSA-N 2 0 293.455 1.805 10 0 CDAERP CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CC2)C1)[NH+](C)C ZINC001418724797 960949409 /nfs/dbraw/zinc/94/94/09/960949409.db2.gz HGQRIVSYQVVRSA-ZNMIVQPWSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001418856817 961101413 /nfs/dbraw/zinc/10/14/13/961101413.db2.gz SWZDXFCMKDNUIG-HOTGVXAUSA-N 2 0 289.423 1.794 10 0 CDAERP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]C/C=C/Cl ZINC001419277826 961579005 /nfs/dbraw/zinc/57/90/05/961579005.db2.gz CZRPWCUDAHGVKE-FYJFLYSWSA-N 2 0 273.808 1.319 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001419530415 961792422 /nfs/dbraw/zinc/79/24/22/961792422.db2.gz RUPAWFKDGNACKK-ZIAGYGMSSA-N 2 0 281.444 1.470 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001419742689 962058517 /nfs/dbraw/zinc/05/85/17/962058517.db2.gz HYSQMDWTJLWARH-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]CC1CCC1 ZINC001419820992 962133105 /nfs/dbraw/zinc/13/31/05/962133105.db2.gz OVTWWSBSYOMWAQ-ZFWWWQNUSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)[NH2+][C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C(C)C ZINC001419878538 962193122 /nfs/dbraw/zinc/19/31/22/962193122.db2.gz NJSXCAFUABFGQI-CABCVRRESA-N 2 0 283.460 2.000 10 0 CDAERP CCC[N@@H+]1CCCC[C@H]1C(=O)NCc1c[nH]c(CC)n1 ZINC001419970563 962307849 /nfs/dbraw/zinc/30/78/49/962307849.db2.gz CLNBEYISVHRTLC-ZDUSSCGKSA-N 2 0 278.400 1.853 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001436844549 962453613 /nfs/dbraw/zinc/45/36/13/962453613.db2.gz AUOOYRJSDACSAB-HNNXBMFYSA-N 2 0 281.444 1.663 10 0 CDAERP CC[C@H](C[NH2+]C[C@@H]1CCCCN1C(=O)CC[NH+](C)C)OC ZINC001437050349 962582117 /nfs/dbraw/zinc/58/21/17/962582117.db2.gz NVLMZGYKYSYRMJ-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@H](C[NH2+]CC1CCC1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001420316735 962731046 /nfs/dbraw/zinc/73/10/46/962731046.db2.gz UBSQMILKMAUROE-HIFRSBDPSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H](F)CC[N@H+](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001420618194 963126024 /nfs/dbraw/zinc/12/60/24/963126024.db2.gz WYFSMKHSPAUWIW-STQMWFEESA-N 2 0 287.423 1.513 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@H]([NH2+]C/C=C/Cl)C2)C1 ZINC001438009829 963280690 /nfs/dbraw/zinc/28/06/90/963280690.db2.gz MBFLXRQZKUFBMI-PXHZSSHCSA-N 2 0 299.846 1.661 10 0 CDAERP CCC[N@H+](C)CC(=O)NC1C[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC001438087011 963317792 /nfs/dbraw/zinc/31/77/92/963317792.db2.gz AMNKECNRIMLUOP-QLFBSQMISA-N 2 0 293.455 1.565 10 0 CDAERP CN(C(=O)CC[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CCCF)C1 ZINC001438236925 963377327 /nfs/dbraw/zinc/37/73/27/963377327.db2.gz VHEBYMNCEWENHV-GJZGRUSLSA-N 2 0 299.434 1.753 10 0 CDAERP CC(C)[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001420953280 963380867 /nfs/dbraw/zinc/38/08/67/963380867.db2.gz KSCIRKRLAOZYIN-KGLIPLIRSA-N 2 0 279.428 1.650 10 0 CDAERP CC[NH2+][C@@H](CC)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001438331324 963420584 /nfs/dbraw/zinc/42/05/84/963420584.db2.gz LGTWZJJTWXTVFJ-WFASDCNBSA-N 2 0 287.423 1.703 10 0 CDAERP C[NH+](C)CCC(=O)N[C@](C)(C[NH2+]CC1CCC1)C1CC1 ZINC001438419795 963443551 /nfs/dbraw/zinc/44/35/51/963443551.db2.gz HVLWWGULGXMZBA-MRXNPFEDSA-N 2 0 281.444 1.613 10 0 CDAERP Cc1cccnc1C[N@@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001439358630 963735960 /nfs/dbraw/zinc/73/59/60/963735960.db2.gz AMUDOAGZWQWVTH-AWEZNQCLSA-N 2 0 292.427 1.278 10 0 CDAERP CC[C@@H](C(=O)NCC1([NH2+]CC2CCCC2)CC1)[NH+](C)C ZINC001439665863 963836185 /nfs/dbraw/zinc/83/61/85/963836185.db2.gz CJGFSIGMKZTPCL-AWEZNQCLSA-N 2 0 281.444 1.755 10 0 CDAERP CC[NH+](CCOC)C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001439696177 963839062 /nfs/dbraw/zinc/83/90/62/963839062.db2.gz OTQIYWLODRYMBX-UHFFFAOYSA-N 2 0 299.459 1.288 10 0 CDAERP CC1CC(C[NH+]2CC(N(C)C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001439745976 963850431 /nfs/dbraw/zinc/85/04/31/963850431.db2.gz RNKHOXHDOJNYOE-UHFFFAOYSA-N 2 0 293.455 1.517 10 0 CDAERP C[C@@H]([NH2+]Cc1cncs1)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001440815070 964195164 /nfs/dbraw/zinc/19/51/64/964195164.db2.gz FQJROMMMHDLWDC-NEPJUHHUSA-N 2 0 298.456 1.468 10 0 CDAERP CCCC[C@@H](C[NH2+]CC(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001441137958 964382913 /nfs/dbraw/zinc/38/29/13/964382913.db2.gz POMJBHBKWMJSKI-CABCVRRESA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)CC[NH2+][C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001441231781 964427083 /nfs/dbraw/zinc/42/70/83/964427083.db2.gz YGHZHNUJPUCVNI-HOCLYGCPSA-N 2 0 295.471 1.859 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]C(C)C)C1 ZINC001441566829 964593447 /nfs/dbraw/zinc/59/34/47/964593447.db2.gz KYBAUSPFEMCOBE-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC1CCC([NH2+]CCF)CC1 ZINC001441741549 964669188 /nfs/dbraw/zinc/66/91/88/964669188.db2.gz QREMKVGYDSJEMA-UHFFFAOYSA-N 2 0 273.396 1.313 10 0 CDAERP CC(C)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC1(C)C ZINC001441935939 964795607 /nfs/dbraw/zinc/79/56/07/964795607.db2.gz NMTGDXDETXQQNU-CQSZACIVSA-N 2 0 283.460 1.809 10 0 CDAERP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CCc1ccccc1 ZINC001442056862 964850768 /nfs/dbraw/zinc/85/07/68/964850768.db2.gz WBZKPRDEVHRNLZ-OAHLLOKOSA-N 2 0 289.423 1.419 10 0 CDAERP CC[N@H+](CCCC(C)C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001442637389 965153805 /nfs/dbraw/zinc/15/38/05/965153805.db2.gz JUXDOTQSTSYGMO-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@H](C)C[NH+]1CC(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001443651365 965551373 /nfs/dbraw/zinc/55/13/73/965551373.db2.gz GFWAHQNZRUDQPT-HNNXBMFYSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]CC1CC(C)(C)C1 ZINC001444410462 965823686 /nfs/dbraw/zinc/82/36/86/965823686.db2.gz SKMVMQROSLZIJM-ZFWWWQNUSA-N 2 0 295.471 1.716 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]CC1CC(C)(C)C1 ZINC001444410453 965824744 /nfs/dbraw/zinc/82/47/44/965824744.db2.gz SKMVMQROSLZIJM-UKRRQHHQSA-N 2 0 295.471 1.716 10 0 CDAERP CC[C@H](F)C[NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001444937745 966015757 /nfs/dbraw/zinc/01/57/57/966015757.db2.gz NEVRZRRTVOFVHL-KBPBESRZSA-N 2 0 299.434 1.561 10 0 CDAERP C[C@H](C[NH2+]Cc1cccc(Cl)c1)NC(=O)CC[NH+](C)C ZINC001445432804 966195995 /nfs/dbraw/zinc/19/59/95/966195995.db2.gz HWTMTWQWVVTMGD-GFCCVEGCSA-N 2 0 297.830 1.886 10 0 CDAERP C[C@H](C[N@H+](C)CCc1ccccc1)NC(=O)CC[NH+](C)C ZINC001445801381 966342458 /nfs/dbraw/zinc/34/24/58/966342458.db2.gz ROHZKQWUKSZKEQ-OAHLLOKOSA-N 2 0 291.439 1.617 10 0 CDAERP Cc1nc[nH]c1CC(=O)N[C@H](C)C[N@@H+](C)CC[C@H](C)F ZINC001445847491 966362912 /nfs/dbraw/zinc/36/29/12/966362912.db2.gz ATMYFJMCQYOQTJ-WDEREUQCSA-N 2 0 284.379 1.445 10 0 CDAERP CS[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@@H]1[NH+](C)C ZINC001447101229 966698579 /nfs/dbraw/zinc/69/85/79/966698579.db2.gz JHZBLOCKKMDRCS-XDQVBPFNSA-N 2 0 299.484 1.221 10 0 CDAERP CC[NH2+]C1(CC)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001447422834 966783875 /nfs/dbraw/zinc/78/38/75/966783875.db2.gz BGSGYQHLNGWDNO-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)[C@H](C)[NH2+]CC1CCC1 ZINC001447867232 966909387 /nfs/dbraw/zinc/90/93/87/966909387.db2.gz MSTOYEPHVLGPIO-QWHCGFSZSA-N 2 0 281.444 1.754 10 0 CDAERP C[C@H](NC(=O)C[N@H+](C)C1CCC1)[C@H](C)[NH2+]CC1CCC1 ZINC001447867241 966910009 /nfs/dbraw/zinc/91/00/09/966910009.db2.gz MSTOYEPHVLGPIO-STQMWFEESA-N 2 0 281.444 1.754 10 0 CDAERP Cc1cccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[NH+](C)C)c1 ZINC001447914435 966927647 /nfs/dbraw/zinc/92/76/47/966927647.db2.gz ZNEHCYNAPCIESB-LSDHHAIUSA-N 2 0 291.439 1.930 10 0 CDAERP C[C@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]CCC(F)(F)F ZINC001447944978 966935924 /nfs/dbraw/zinc/93/59/24/966935924.db2.gz YNAVSTQYXHQRFC-QWRGUYRKSA-N 2 0 295.349 1.517 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NCCC[NH+]1CCCCCC1 ZINC001540452233 967140786 /nfs/dbraw/zinc/14/07/86/967140786.db2.gz AMTZYWLEQLGATP-OAHLLOKOSA-N 2 0 283.460 1.957 10 0 CDAERP CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001448601637 967167775 /nfs/dbraw/zinc/16/77/75/967167775.db2.gz IHVZNWWFXBMEKU-CABCVRRESA-N 2 0 281.444 1.707 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CCC2CC2)C[C@@H]1C ZINC001449018646 967338421 /nfs/dbraw/zinc/33/84/21/967338421.db2.gz RWHJZUDULBZTIY-ZFWWWQNUSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC001450483209 967727039 /nfs/dbraw/zinc/72/70/39/967727039.db2.gz DXHNJFSJXTXSDS-UPJWGTAASA-N 2 0 255.406 1.125 10 0 CDAERP COCCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001569535082 1169914951 /nfs/dbraw/zinc/91/49/51/1169914951.db2.gz WLEOJMMBDWMWIG-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CCN(C(=O)[C@@H](C)CC[NH+](C)C)[C@H]1CC[N@H+](CC)C1 ZINC001300618984 968725529 /nfs/dbraw/zinc/72/55/29/968725529.db2.gz FNFYNISRUHTYKJ-KBPBESRZSA-N 2 0 269.433 1.517 10 0 CDAERP C[NH+](C)C1(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CCCC1 ZINC001464777394 969814757 /nfs/dbraw/zinc/81/47/57/969814757.db2.gz SVXMNNRALZXLAP-AWEZNQCLSA-N 2 0 279.428 1.558 10 0 CDAERP C[NH+](C)C1(C(=O)NCC[N@@H+](C)C2CCCC2)CCCC1 ZINC001464991799 969837915 /nfs/dbraw/zinc/83/79/15/969837915.db2.gz BNSFARLJJXHCOT-UHFFFAOYSA-N 2 0 281.444 1.851 10 0 CDAERP C[C@@H](CNC(=O)CC[N@@H+]1CC[C@H](F)C1)[NH+]1CCC(C)CC1 ZINC001361692763 970429216 /nfs/dbraw/zinc/42/92/16/970429216.db2.gz PCNYFVUBFADAIK-GJZGRUSLSA-N 2 0 299.434 1.657 10 0 CDAERP CCc1nc(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c[nH]1 ZINC001472019237 970537099 /nfs/dbraw/zinc/53/70/99/970537099.db2.gz VWILDACQBBGGDQ-QWRGUYRKSA-N 2 0 264.373 1.461 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@@H](C[NH2+]Cc2ccsc2)C1 ZINC001371605863 972565898 /nfs/dbraw/zinc/56/58/98/972565898.db2.gz MIDIWWVROIFTIZ-ZDUSSCGKSA-N 2 0 295.452 1.638 10 0 CDAERP CCCC[NH2+]C[C@@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001495744947 972619982 /nfs/dbraw/zinc/61/99/82/972619982.db2.gz ZSOGGMYPBTVQBL-UONOGXRCSA-N 2 0 269.433 1.470 10 0 CDAERP C[C@H](C[NH2+]CCOC1CCC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001496026829 972761141 /nfs/dbraw/zinc/76/11/41/972761141.db2.gz GGVQMHPTYUCXDH-UKRRQHHQSA-N 2 0 297.443 1.086 10 0 CDAERP C[C@@H](C[NH2+]CCOC1CCC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001496026827 972762328 /nfs/dbraw/zinc/76/23/28/972762328.db2.gz GGVQMHPTYUCXDH-DZGCQCFKSA-N 2 0 297.443 1.086 10 0 CDAERP CC(C)[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001496055103 972770326 /nfs/dbraw/zinc/77/03/26/972770326.db2.gz KVCCHSJKHNBPRL-ZIAGYGMSSA-N 2 0 269.433 1.704 10 0 CDAERP CCCCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001496354642 972898650 /nfs/dbraw/zinc/89/86/50/972898650.db2.gz BXGBNXPKQAFOHH-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCOC)[C@@H](C)C1 ZINC001496366678 972899858 /nfs/dbraw/zinc/89/98/58/972899858.db2.gz FBMIMSVXOFVVRL-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C(C)C ZINC001496572843 972975927 /nfs/dbraw/zinc/97/59/27/972975927.db2.gz DQHTXNJGSJSVJP-UONOGXRCSA-N 2 0 269.433 1.611 10 0 CDAERP CO[C@@H](C)C[N@@H+]1CC[C@@](C)(NC(=O)CCCC[NH+](C)C)C1 ZINC001569650856 1169953952 /nfs/dbraw/zinc/95/39/52/1169953952.db2.gz JQBHXCPHWZEVHW-GOEBONIOSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC[N@@H+]1C ZINC001417659099 973249647 /nfs/dbraw/zinc/24/96/47/973249647.db2.gz WQEOJQKRAXFPJW-BARDWOONSA-N 2 0 281.444 1.706 10 0 CDAERP CC[C@@H](C(=O)NC/C=C\C[NH2+]C[C@@H]1CCCOC1)[NH+](C)C ZINC001497677877 973462379 /nfs/dbraw/zinc/46/23/79/973462379.db2.gz BZOOHDBRVKBAQC-LUNKNMTDSA-N 2 0 297.443 1.015 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCC[C@H]2CCC[NH+](C)C2)CC[N@@H+]1C ZINC001417907206 973468189 /nfs/dbraw/zinc/46/81/89/973468189.db2.gz CWEQMLUCPFFQEP-ZNMIVQPWSA-N 2 0 281.444 1.565 10 0 CDAERP CC[NH2+]C/C=C\CNC(=O)CC[NH+]1CCCCC1 ZINC001497766196 973489120 /nfs/dbraw/zinc/48/91/20/973489120.db2.gz UJXIFQKFZCLRLU-PLNGDYQASA-N 2 0 253.390 1.144 10 0 CDAERP CC[C@H](F)CN1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001373633731 973534674 /nfs/dbraw/zinc/53/46/74/973534674.db2.gz UVWRPQJAPIQOHL-MJBXVCDLSA-N 2 0 287.423 1.511 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001418043376 973546552 /nfs/dbraw/zinc/54/65/52/973546552.db2.gz HHPYAKKNWHFKHN-KKUMJFAQSA-N 2 0 281.444 1.707 10 0 CDAERP CCCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001498045478 973646977 /nfs/dbraw/zinc/64/69/77/973646977.db2.gz WXMYMLAZTBIPLE-YNEHKIRRSA-N 2 0 255.406 1.221 10 0 CDAERP CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001418262495 973704456 /nfs/dbraw/zinc/70/44/56/973704456.db2.gz AJSPPJYDTIXEOH-HIFRSBDPSA-N 2 0 281.444 1.898 10 0 CDAERP CC(C)C[N@H+](C)C[C@@H](C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001498427350 973904583 /nfs/dbraw/zinc/90/45/83/973904583.db2.gz WDNCRAKXHRUDSS-KGLIPLIRSA-N 2 0 269.433 1.421 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCN(C)C(=O)CCc1nccn1C ZINC001374516826 973990359 /nfs/dbraw/zinc/99/03/59/973990359.db2.gz YTMLEZMPSACAIZ-AWEZNQCLSA-N 2 0 294.443 1.789 10 0 CDAERP CO[C@@H](C)C[NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001498601430 973995114 /nfs/dbraw/zinc/99/51/14/973995114.db2.gz PJQQAPOVDHHMAA-KKUMJFAQSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001498760560 974053188 /nfs/dbraw/zinc/05/31/88/974053188.db2.gz OELMFBVIFVYBOD-CABCVRRESA-N 2 0 281.444 1.752 10 0 CDAERP CC[C@H](C(=O)N[C@H](C[NH2+]C/C=C/Cl)C1CC1)[NH+](C)C ZINC001498857907 974080505 /nfs/dbraw/zinc/08/05/05/974080505.db2.gz JULANOGIVQQNAT-IURQOMBCSA-N 2 0 287.835 1.564 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@H](C[NH2+]CC2CC2)C2CC2)CC[N@@H+]1C ZINC001375253424 974304281 /nfs/dbraw/zinc/30/42/81/974304281.db2.gz SVARRWPGKVJHMJ-VBNZEHGJSA-N 2 0 293.455 1.611 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1CC1CC(C)(C)C1 ZINC001375359497 974351263 /nfs/dbraw/zinc/35/12/63/974351263.db2.gz WPWNRKMNHFRWKZ-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[NH2+][C@H]1C[C@@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001375494561 974404750 /nfs/dbraw/zinc/40/47/50/974404750.db2.gz KKRGLXVNGGHURU-QLFBSQMISA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)[NH2+]C[C@]1(C)CCN(C(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001500383831 974429990 /nfs/dbraw/zinc/42/99/90/974429990.db2.gz HAVIYNFIAGYHAZ-CJNGLKHVSA-N 2 0 292.427 1.825 10 0 CDAERP CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001500498415 974445738 /nfs/dbraw/zinc/44/57/38/974445738.db2.gz IWGXYKLFTPFBSM-IIAWOOMASA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@H](C(=O)N1CC[C@@](C)(C[NH2+]CC(C)C)C1)[NH+](C)C ZINC001375876941 974502554 /nfs/dbraw/zinc/50/25/54/974502554.db2.gz FCWMRHFXRCSPAU-ZBFHGGJFSA-N 2 0 283.460 1.811 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001376062560 974548920 /nfs/dbraw/zinc/54/89/20/974548920.db2.gz PQCKBAUDSJFNKC-UONOGXRCSA-N 2 0 287.423 1.655 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](C/C=C\Cl)C[C@@H]2C1 ZINC001501229910 974552976 /nfs/dbraw/zinc/55/29/76/974552976.db2.gz LPVKHCGGJVIBMS-VFWWJLHSSA-N 2 0 285.819 1.081 10 0 CDAERP CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001376074933 974553921 /nfs/dbraw/zinc/55/39/21/974553921.db2.gz CXKCYRZBGKNFIP-GDBMZVCRSA-N 2 0 299.459 1.070 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001502026667 974677291 /nfs/dbraw/zinc/67/72/91/974677291.db2.gz VHUVVNLCXGQYDV-CYBMUJFWSA-N 2 0 267.417 1.367 10 0 CDAERP CC[C@H](C)C[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001376979097 974825132 /nfs/dbraw/zinc/82/51/32/974825132.db2.gz NHFMXUNUJGGSHD-GJZGRUSLSA-N 2 0 283.460 1.907 10 0 CDAERP C[N@H+](CCCF)CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001377231240 974937375 /nfs/dbraw/zinc/93/73/75/974937375.db2.gz WARQIAJQSKJTAK-ZIAGYGMSSA-N 2 0 285.407 1.411 10 0 CDAERP CC[NH2+]CC(C)(C)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001505845751 974999247 /nfs/dbraw/zinc/99/92/47/974999247.db2.gz ZXZYESRYHZENSE-CYBMUJFWSA-N 2 0 269.433 1.422 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CCC[N@@H+]1CCC1CC1 ZINC001377416734 975016294 /nfs/dbraw/zinc/01/62/94/975016294.db2.gz ONTIGPVWXBBUPN-HNNXBMFYSA-N 2 0 279.428 1.463 10 0 CDAERP C[C@@H]([NH2+]CCN(C)C(=O)CC[NH+](C)C)c1ccccc1 ZINC001377585981 975081683 /nfs/dbraw/zinc/08/16/83/975081683.db2.gz AGHWWYAQYFHOGJ-CQSZACIVSA-N 2 0 277.412 1.747 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH+](C)CCF)C1 ZINC001377789360 975140569 /nfs/dbraw/zinc/14/05/69/975140569.db2.gz VQTMLDLICFHXQA-LSDHHAIUSA-N 2 0 299.434 1.611 10 0 CDAERP Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[NH+](C)C)cc1 ZINC001377845534 975154757 /nfs/dbraw/zinc/15/47/57/975154757.db2.gz DOCTWQRJZAZBAN-LSDHHAIUSA-N 2 0 291.439 1.930 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)[NH2+]Cc1ccccn1 ZINC001377849526 975156096 /nfs/dbraw/zinc/15/60/96/975156096.db2.gz NJSJQSKLWRGABC-CHWSQXEVSA-N 2 0 278.400 1.016 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)[NH2+]Cc1ccc(F)cn1 ZINC001377856478 975157308 /nfs/dbraw/zinc/15/73/08/975157308.db2.gz XUZJKLVQJGJRGC-VXGBXAGGSA-N 2 0 296.390 1.155 10 0 CDAERP CCCC[C@@H](C[NH2+]CC1CC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001506554381 975179646 /nfs/dbraw/zinc/17/96/46/975179646.db2.gz WJOFRAQEFQDYSR-GJZGRUSLSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NCC2C[NH+](CC3CCCC3)C2)C1 ZINC001377998196 975199552 /nfs/dbraw/zinc/19/95/52/975199552.db2.gz YGAYSGXZZRBZMT-CQSZACIVSA-N 2 0 293.455 1.566 10 0 CDAERP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH+](C)CC1CCCC1 ZINC001378183574 975275396 /nfs/dbraw/zinc/27/53/96/975275396.db2.gz ISNFDOKLDDWBBZ-GOEBONIOSA-N 2 0 295.471 1.955 10 0 CDAERP CN(C(=O)CC[C@H]1CCC[N@@H+]1C)[C@H](C[NH2+]CCF)C1CC1 ZINC001507011330 975294946 /nfs/dbraw/zinc/29/49/46/975294946.db2.gz LZTSXZIRNYMHLM-HUUCEWRRSA-N 2 0 299.434 1.657 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CCC1CC1 ZINC001507074750 975325982 /nfs/dbraw/zinc/32/59/82/975325982.db2.gz WKXCYSURRJTMPL-XJKSGUPXSA-N 2 0 293.455 1.565 10 0 CDAERP CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]C(C)C)[NH+](CC)CC ZINC001507121432 975344419 /nfs/dbraw/zinc/34/44/19/975344419.db2.gz ZIZDGECQJGAXPL-KGLIPLIRSA-N 2 0 271.449 1.952 10 0 CDAERP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCCCCF ZINC001507156410 975358123 /nfs/dbraw/zinc/35/81/23/975358123.db2.gz XWPAEWPKBSGDHT-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H]1CC[NH+](CCCF)C1 ZINC001404506194 975411636 /nfs/dbraw/zinc/41/16/36/975411636.db2.gz WOZCMXYTFZGUFY-HUUCEWRRSA-N 2 0 299.434 1.659 10 0 CDAERP Cc1nc(C[NH2+]C[C@H](C)CNC(=O)CC[NH+](C)C)c(C)o1 ZINC001378602391 975412647 /nfs/dbraw/zinc/41/26/47/975412647.db2.gz PBFXHLJPUCEWFF-NSHDSACASA-N 2 0 296.415 1.085 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001378810759 975500743 /nfs/dbraw/zinc/50/07/43/975500743.db2.gz LKRQTYQUJVGPEX-KGLIPLIRSA-N 2 0 283.460 1.811 10 0 CDAERP CC[C@H](C)C[NH+]1CC(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001404910281 975536373 /nfs/dbraw/zinc/53/63/73/975536373.db2.gz UQGJNCKBMKSRBY-UONOGXRCSA-N 2 0 281.444 1.422 10 0 CDAERP CN(C[C@H]1CC[N@@H+]1CC1CC1)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001388653753 975537162 /nfs/dbraw/zinc/53/71/62/975537162.db2.gz RRXPUOSMEDMALF-HUUCEWRRSA-N 2 0 279.428 1.271 10 0 CDAERP CC(C)[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cccnc1 ZINC001378998603 975586865 /nfs/dbraw/zinc/58/68/65/975586865.db2.gz YIIMYKMJBMKNIW-OAHLLOKOSA-N 2 0 292.427 1.264 10 0 CDAERP C[C@H](C[NH2+][C@H]1CCc2ccccc21)NC(=O)CC[NH+](C)C ZINC001401636181 975753004 /nfs/dbraw/zinc/75/30/04/975753004.db2.gz AJAYDWXHTUBNIJ-CJNGLKHVSA-N 2 0 289.423 1.720 10 0 CDAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC1CC1 ZINC001401704516 975815774 /nfs/dbraw/zinc/81/57/74/975815774.db2.gz HGMKIAZCJFABDJ-DZGCQCFKSA-N 2 0 281.444 1.754 10 0 CDAERP C[C@@H](C[NH2+]CC1CCC1)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001401717046 975827421 /nfs/dbraw/zinc/82/74/21/975827421.db2.gz JLTWIHDGXHBVMH-BBRMVZONSA-N 2 0 279.428 1.367 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]CC1CC(F)(F)C1 ZINC001379598322 975941504 /nfs/dbraw/zinc/94/15/04/975941504.db2.gz LIQNLEQWDJNGFH-NSHDSACASA-N 2 0 291.386 1.466 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]([NH2+]CCF)C1CC1 ZINC001398400923 975972743 /nfs/dbraw/zinc/97/27/43/975972743.db2.gz PONRLJGAXQBKFH-ZIAGYGMSSA-N 2 0 285.407 1.315 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C[NH+](C)CCF)C1 ZINC001398466541 975997776 /nfs/dbraw/zinc/99/77/76/975997776.db2.gz PWZXGVZEVJJPTI-CQSZACIVSA-N 2 0 287.423 1.467 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CCC3CC3)CC2)CC[N@@H+]1C ZINC001401945888 976032720 /nfs/dbraw/zinc/03/27/20/976032720.db2.gz CSIYDJKHGVTNQF-LSDHHAIUSA-N 2 0 293.455 1.755 10 0 CDAERP C[C@@H](C[N@H+](C)CCCC1CCC1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001379785968 976077645 /nfs/dbraw/zinc/07/76/45/976077645.db2.gz SACIMADGEALEOR-GOEBONIOSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001379918985 976127808 /nfs/dbraw/zinc/12/78/08/976127808.db2.gz OGEOSTPCGHFQAZ-CVEARBPZSA-N 2 0 295.471 2.000 10 0 CDAERP CC(C)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001402425398 976274961 /nfs/dbraw/zinc/27/49/61/976274961.db2.gz LGKFCNZDYLIBIL-HUUCEWRRSA-N 2 0 293.455 1.565 10 0 CDAERP CC[NH+]1CCC(C2(NC(=O)C[N@H+](C)C3CCC3)CC2)CC1 ZINC001380189917 976284775 /nfs/dbraw/zinc/28/47/75/976284775.db2.gz YYTDKWKEMVEFFB-UHFFFAOYSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC1CC(C)(C)C1 ZINC001390481513 976323003 /nfs/dbraw/zinc/32/30/03/976323003.db2.gz LYQDVOBKYVGDBV-UONOGXRCSA-N 2 0 295.471 1.859 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)C[NH+](C)CC2CC2)C1 ZINC001406644585 976325648 /nfs/dbraw/zinc/32/56/48/976325648.db2.gz HEEGCOFPADFEOO-GDBMZVCRSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1 ZINC001380294715 976333365 /nfs/dbraw/zinc/33/33/65/976333365.db2.gz WXTWVMZZLUWRIV-INIZCTEOSA-N 2 0 289.423 1.719 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC[C@H]2CCCO2)C1)[NH+](C)C ZINC001402612700 976393116 /nfs/dbraw/zinc/39/31/16/976393116.db2.gz URSNDMXIXHABOL-BARDWOONSA-N 2 0 297.443 1.133 10 0 CDAERP CC[C@H](C(=O)N1CC[C@H](C[NH2+]CC2CC2)C1)[NH+](CC)CC ZINC001399250131 976395750 /nfs/dbraw/zinc/39/57/50/976395750.db2.gz YDTIVZCUBFTEKY-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001399319415 976438900 /nfs/dbraw/zinc/43/89/00/976438900.db2.gz RKLSXFZFUNQIQW-HOCLYGCPSA-N 2 0 295.471 1.859 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@@H+]1CC1CCCCC1 ZINC001406906345 976472003 /nfs/dbraw/zinc/47/20/03/976472003.db2.gz PNQVEWZZEHCDMA-MRXNPFEDSA-N 2 0 293.455 1.853 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001403074036 976692554 /nfs/dbraw/zinc/69/25/54/976692554.db2.gz HOEAIPUOSJXFPR-UONOGXRCSA-N 2 0 299.459 1.238 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH2+]CCC(C)(C)C ZINC001403112392 976727588 /nfs/dbraw/zinc/72/75/88/976727588.db2.gz WFVBXKZAXTWFRM-ZDUSSCGKSA-N 2 0 271.449 1.859 10 0 CDAERP C[C@H](O)C[N@H+](C)CCCN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001407901522 976825913 /nfs/dbraw/zinc/82/59/13/976825913.db2.gz QRSPHKURIDQEPY-GJZGRUSLSA-N 2 0 299.459 1.022 10 0 CDAERP CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCC[NH+](C)C)C2 ZINC001408018680 976867414 /nfs/dbraw/zinc/86/74/14/976867414.db2.gz WIHDEBXEPTWSKE-INIZCTEOSA-N 2 0 281.444 1.663 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CC1CC(F)(F)C1 ZINC001381561507 976912821 /nfs/dbraw/zinc/91/28/21/976912821.db2.gz AUPJRKCVELUEND-NSHDSACASA-N 2 0 291.386 1.420 10 0 CDAERP CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001403383412 976924897 /nfs/dbraw/zinc/92/48/97/976924897.db2.gz HHZWTAFLKXGYAZ-YHUYYLMFSA-N 2 0 293.455 1.565 10 0 CDAERP CC(C)[C@@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCF ZINC001403491761 976989480 /nfs/dbraw/zinc/98/94/80/976989480.db2.gz YWSHTVVHHAEFFP-KGLIPLIRSA-N 2 0 287.423 1.561 10 0 CDAERP C[C@@H]1[C@H]([NH2+]Cc2ccccn2)CCN1C(=O)CC[NH+](C)C ZINC001403749848 977175011 /nfs/dbraw/zinc/17/50/11/977175011.db2.gz RRDFZHPTTNPRMX-UKRRQHHQSA-N 2 0 290.411 1.112 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001382166327 977197425 /nfs/dbraw/zinc/19/74/25/977197425.db2.gz WXBLUROWXFDVEZ-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]C[C@H]1CCCCO1 ZINC001400939668 977251197 /nfs/dbraw/zinc/25/11/97/977251197.db2.gz ZVXQQXDGJGPDRL-LSDHHAIUSA-N 2 0 297.443 1.136 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CCF)C(C)C ZINC001392216211 977265603 /nfs/dbraw/zinc/26/56/03/977265603.db2.gz IHZKEBZPBDQNJO-UONOGXRCSA-N 2 0 287.423 1.561 10 0 CDAERP CN(C(=O)CC[NH+](C)C)C1CC([NH2+]CC2CC(C)(C)C2)C1 ZINC001404025251 977312173 /nfs/dbraw/zinc/31/21/73/977312173.db2.gz YMGHPUNXCBNOQX-UHFFFAOYSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH+](C)CC[C@@H]1CCCO1 ZINC001392338299 977415581 /nfs/dbraw/zinc/41/55/81/977415581.db2.gz UDZWWNSNCOBHSJ-HNNXBMFYSA-N 2 0 299.459 1.286 10 0 CDAERP C[C@@H](C[NH2+]CC1CCC1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001392559931 977488037 /nfs/dbraw/zinc/48/80/37/977488037.db2.gz CNLKOHRZHIDDGZ-WFASDCNBSA-N 2 0 279.428 1.223 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001392813429 977603971 /nfs/dbraw/zinc/60/39/71/977603971.db2.gz REGVXBGZTXHQQL-UKRRQHHQSA-N 2 0 281.444 1.613 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CC[NH+]2CC2CCCC2)C1 ZINC001392876429 977634965 /nfs/dbraw/zinc/63/49/65/977634965.db2.gz XAUXYMPLNAHEGB-JKSUJKDBSA-N 2 0 293.455 1.709 10 0 CDAERP CC[C@@H](C)C[N@H+]1C[C@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@H]2C1 ZINC001393420363 977784110 /nfs/dbraw/zinc/78/41/10/977784110.db2.gz WTKJTDWCPYDIOP-OAGGEKHMSA-N 2 0 295.471 1.763 10 0 CDAERP C[C@@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]C/C=C/Cl ZINC001393827214 977929212 /nfs/dbraw/zinc/92/92/12/977929212.db2.gz SJYKKTYAMAHPJA-FUEXJSSKSA-N 2 0 273.808 1.319 10 0 CDAERP Cc1cccnc1C[NH2+][C@H](C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001393977789 977992842 /nfs/dbraw/zinc/99/28/42/977992842.db2.gz SOQCIAXIHBFPAC-KGLIPLIRSA-N 2 0 292.427 1.325 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CC1CCOCC1 ZINC001394007446 978003204 /nfs/dbraw/zinc/00/32/04/978003204.db2.gz SUOVETMVKFCIOC-UONOGXRCSA-N 2 0 299.459 1.236 10 0 CDAERP CC[C@H](C)C[NH+]1CC([C@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001394244412 978116825 /nfs/dbraw/zinc/11/68/25/978116825.db2.gz BOHPLDKFEVRSKJ-KBPBESRZSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001394417549 978154791 /nfs/dbraw/zinc/15/47/91/978154791.db2.gz DPGRCBDYENYVNU-LSDHHAIUSA-N 2 0 281.444 1.706 10 0 CDAERP C[C@H](NC(=O)CC[NH+](C)C)C1CC[NH+](CC2CCC2)CC1 ZINC001394845969 978283457 /nfs/dbraw/zinc/28/34/57/978283457.db2.gz SVNCWNXEUXUXEE-AWEZNQCLSA-N 2 0 295.471 1.955 10 0 CDAERP COCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001674152888 1173919155 /nfs/dbraw/zinc/91/91/55/1173919155.db2.gz CWWDCWXZULQFEM-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C1C[NH+](CC=C(C)C)C1)[NH+](C)C ZINC001675323091 1174101663 /nfs/dbraw/zinc/10/16/63/1174101663.db2.gz VLZKHXSKAIOZRW-DZGCQCFKSA-N 2 0 281.444 1.729 10 0 CDAERP CCOCC[NH2+]C1(C)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001570375002 1170147093 /nfs/dbraw/zinc/14/70/93/1170147093.db2.gz HKHBAHMPPIDAAY-CQSZACIVSA-N 2 0 299.459 1.334 10 0 CDAERP CCCCC[NH2+]C[C@H]1C[C@H](NC(=O)Cc2c[nH]cn2)C1 ZINC001571162935 1170342051 /nfs/dbraw/zinc/34/20/51/1170342051.db2.gz KMZOIFADJQNWBY-JOCQHMNTSA-N 2 0 278.400 1.627 10 0 CDAERP CCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[C@H]2C[NH+](C)C[C@H]21 ZINC001650608226 1171235058 /nfs/dbraw/zinc/23/50/58/1171235058.db2.gz YKWYXXKQHLRBAQ-ZJIFWQFVSA-N 2 0 293.455 1.707 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000624011958 342527148 /nfs/dbraw/zinc/52/71/48/342527148.db2.gz NRPIPDGJIVITJC-JYJNAYRXSA-N 2 0 285.476 1.806 10 0 CDAERP C[N@@H+](Cc1ccc(NN)[nH+]c1)C[C@H]1CCCOC1 ZINC000082545322 178089122 /nfs/dbraw/zinc/08/91/22/178089122.db2.gz COINTXSKRUCXSK-GFCCVEGCSA-N 2 0 250.346 1.226 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCCc2c1ccc(=O)n2C ZINC000650764672 398185515 /nfs/dbraw/zinc/18/55/15/398185515.db2.gz IQLCEDKWLVXDIY-JSGCOSHPSA-N 2 0 293.411 1.106 10 0 CDAERP COc1cncc(C[NH+]2CCC(C[NH+](C)C)CC2)n1 ZINC000625085145 342029808 /nfs/dbraw/zinc/02/98/08/342029808.db2.gz ARFOPNWZHLDWFX-UHFFFAOYSA-N 2 0 264.373 1.259 10 0 CDAERP CC(C)[NH2+]C1CCN(CCOC2CCOCC2)CC1 ZINC000625243836 342046103 /nfs/dbraw/zinc/04/61/03/342046103.db2.gz JVECBBCZBJESTB-UHFFFAOYSA-N 2 0 270.417 1.644 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)N2CCCC[C@@H]2c2ncc[nH]2)C1 ZINC000592503316 342706109 /nfs/dbraw/zinc/70/61/09/342706109.db2.gz AZWNFNSYSWOJBH-CHWSQXEVSA-N 2 0 291.399 1.741 10 0 CDAERP C[N@@H+]1CCC[C@]2(CC[NH+](CCOC3CCOCC3)C2)C1 ZINC000625448801 342167618 /nfs/dbraw/zinc/16/76/18/342167618.db2.gz RPERWXBWQSZGBS-INIZCTEOSA-N 2 0 282.428 1.600 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000629402734 361941542 /nfs/dbraw/zinc/94/15/42/361941542.db2.gz DRIWBQKESLVVEI-CQSZACIVSA-N 2 0 268.788 1.633 10 0 CDAERP CC[NH+]1CCC[C@@H]1CN(C)C(=O)NC[C@H]1CCC[N@H+]1CC ZINC000245462665 539046372 /nfs/dbraw/zinc/04/63/72/539046372.db2.gz GQXCUWGPVKSHRD-HUUCEWRRSA-N 2 0 296.459 1.596 10 0 CDAERP CCOC(=O)C1([C@H](C)[NH2+]C[C@H]2C[C@@H](OC)C2)CC[NH2+]CC1 ZINC000600713388 342244000 /nfs/dbraw/zinc/24/40/00/342244000.db2.gz IIBWHOGDJBEJPI-MELADBBJSA-N 2 0 298.427 1.322 10 0 CDAERP CCN1CCO[C@@H](C[NH2+][C@H](C)C2CC[NH+](C)CC2)C1 ZINC000252761207 539079577 /nfs/dbraw/zinc/07/95/77/539079577.db2.gz XKTFXAPJJTWELU-HIFRSBDPSA-N 2 0 269.433 1.027 10 0 CDAERP C[NH+](C)C1(CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)CCCC1 ZINC000125650177 187194225 /nfs/dbraw/zinc/19/42/25/187194225.db2.gz YYHLVYGWAJTRSB-NWDGAFQWSA-N 2 0 253.390 1.104 10 0 CDAERP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cccc2cnccc21 ZINC000181542053 539140980 /nfs/dbraw/zinc/14/09/80/539140980.db2.gz ZEQCAWJYGWTBBZ-INIZCTEOSA-N 2 0 273.380 1.637 10 0 CDAERP COC(=O)[C@H](C[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000211976923 539162030 /nfs/dbraw/zinc/16/20/30/539162030.db2.gz CPLMYTZDJFGYDP-UONOGXRCSA-N 2 0 262.353 1.256 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000262673017 282193804 /nfs/dbraw/zinc/19/38/04/282193804.db2.gz PXOQPHWSLANGHF-JKJDWNRSSA-N 2 0 293.455 1.896 10 0 CDAERP C[C@H](C(=O)NCCNc1cc[nH+]cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000534523470 282198745 /nfs/dbraw/zinc/19/87/45/282198745.db2.gz TWYFKVJDSDFCPQ-MGPQQGTHSA-N 2 0 290.411 1.293 10 0 CDAERP OCCCSCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000594919959 342986891 /nfs/dbraw/zinc/98/68/91/342986891.db2.gz LDLYVDBRZXSNTB-UHFFFAOYSA-N 2 0 292.408 1.473 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000594925192 342988852 /nfs/dbraw/zinc/98/88/52/342988852.db2.gz MLTGVTWAANHNFZ-MEBFFEOJSA-N 2 0 266.385 1.400 10 0 CDAERP C[C@H](CSCCF)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000595018896 342995930 /nfs/dbraw/zinc/99/59/30/342995930.db2.gz UHSLJWZLIQDMFF-VXGBXAGGSA-N 2 0 264.410 1.124 10 0 CDAERP CC[NH2+]CC1CC[NH+](CCOC2CCOCC2)CC1 ZINC000629511782 362122907 /nfs/dbraw/zinc/12/29/07/362122907.db2.gz AQWAFWYFRPANDG-UHFFFAOYSA-N 2 0 270.417 1.504 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@]1(C)COc2ccccc2O1 ZINC000629515952 362125367 /nfs/dbraw/zinc/12/53/67/362125367.db2.gz WUDFNTZSYWRUBF-CJNGLKHVSA-N 2 0 294.395 1.560 10 0 CDAERP O=C(c1ccc2c[nH+]cn2c1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645110514 362126069 /nfs/dbraw/zinc/12/60/69/362126069.db2.gz DNGUXHHICMUQCA-BBRMVZONSA-N 2 0 298.390 1.939 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H]1CCCc2nc(C)sc21 ZINC000629528846 362155040 /nfs/dbraw/zinc/15/50/40/362155040.db2.gz KYBWLGIGAYOSRI-LLVKDONJSA-N 2 0 269.414 1.655 10 0 CDAERP C[NH2+][C@H](C)C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000054071522 343704232 /nfs/dbraw/zinc/70/42/32/343704232.db2.gz ZBBIBDSSVIZYPY-BXUZGUMPSA-N 2 0 279.384 1.022 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000252615940 344074559 /nfs/dbraw/zinc/07/45/59/344074559.db2.gz ZJIWVVXFVUTTSJ-APYLGABCSA-N 2 0 265.401 1.116 10 0 CDAERP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000251847143 344059889 /nfs/dbraw/zinc/05/98/89/344059889.db2.gz RBANSGUWWQMIAZ-RFGFWPKPSA-N 2 0 265.401 1.070 10 0 CDAERP CC1CC[NH+](CC(=O)N(C)CCC[NH+](C)C)CC1 ZINC000537213680 282353513 /nfs/dbraw/zinc/35/35/13/282353513.db2.gz MHRFFWNXFMKDSB-UHFFFAOYSA-N 2 0 255.406 1.128 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000262667293 344696827 /nfs/dbraw/zinc/69/68/27/344696827.db2.gz KVBFLJSDKWHHSS-BFHYXJOUSA-N 2 0 267.417 1.495 10 0 CDAERP C[C@H](C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O)c1ccc(F)cc1 ZINC000263286958 362568629 /nfs/dbraw/zinc/56/86/29/362568629.db2.gz VDKVGQICCSXCLO-MPKXVKKWSA-N 2 0 252.333 1.099 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC000617343513 345175697 /nfs/dbraw/zinc/17/56/97/345175697.db2.gz VKUYXNXAJBDZLE-OLZOCXBDSA-N 2 0 267.417 1.317 10 0 CDAERP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCC[N@H+](C)C2)c1 ZINC000607384534 345352962 /nfs/dbraw/zinc/35/29/62/345352962.db2.gz PMNSNKFBVIWBRC-OAHLLOKOSA-N 2 0 275.396 1.572 10 0 CDAERP CC1([NH3+])CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000669514589 482535298 /nfs/dbraw/zinc/53/52/98/482535298.db2.gz RTXKYLVCWRSWGO-AGIUHOORSA-N 2 0 265.401 1.247 10 0 CDAERP C[NH+]1CCC(C[NH2+]Cc2cn[nH]c2)(N2CCCCC2)CC1 ZINC000608064951 345525607 /nfs/dbraw/zinc/52/56/07/345525607.db2.gz OCAVBBUGQVLOFO-UHFFFAOYSA-N 2 0 291.443 1.450 10 0 CDAERP C[N@@H+]1CC[C@@H](NCC[NH+]2CCCCC2)CC1(C)C ZINC000623351174 346079192 /nfs/dbraw/zinc/07/91/92/346079192.db2.gz DTZPJJJRVKJLRH-CQSZACIVSA-N 2 0 253.434 1.935 10 0 CDAERP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623357348 346085057 /nfs/dbraw/zinc/08/50/57/346085057.db2.gz KBWMWDOYBDQRRM-HOTGVXAUSA-N 3 0 296.503 1.475 10 0 CDAERP COCC[N@@H+]1CCC[C@H]1CN[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000623398777 346155710 /nfs/dbraw/zinc/15/57/10/346155710.db2.gz OPBFFBAIQDZDFM-CABCVRRESA-N 2 0 283.460 1.560 10 0 CDAERP CC[N@H+](CCCC[C@@](C)(O)C[NH3+])C[C@@H]1CCCO1 ZINC000085300812 179010497 /nfs/dbraw/zinc/01/04/97/179010497.db2.gz SUZDDONULJZRBG-UONOGXRCSA-N 2 0 258.406 1.367 10 0 CDAERP C[C@](O)(C[NH3+])CCCC[N@@H+]1CCc2ccccc2C1 ZINC000085304189 179011612 /nfs/dbraw/zinc/01/16/12/179011612.db2.gz OCNHTEUBXOPDQP-MRXNPFEDSA-N 2 0 262.397 1.925 10 0 CDAERP CC(C)(C)[NH+]1CCC(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000085366310 179036923 /nfs/dbraw/zinc/03/69/23/179036923.db2.gz BMPPNYPFOHTTPO-ZIAGYGMSSA-N 2 0 281.444 1.883 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@H]([NH3+])C1CC1 ZINC000571560855 362682659 /nfs/dbraw/zinc/68/26/59/362682659.db2.gz QLCDGAWBLGSMPH-OLZOCXBDSA-N 2 0 253.390 1.104 10 0 CDAERP COCCOCC[N@@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403575 179053160 /nfs/dbraw/zinc/05/31/60/179053160.db2.gz WOFXLCQLBSASFO-MRXNPFEDSA-N 2 0 284.444 1.894 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)CCCn1ccnc1 ZINC000104259220 346467421 /nfs/dbraw/zinc/46/74/21/346467421.db2.gz MGYSDKPVROWCFT-AWEZNQCLSA-N 2 0 278.400 1.654 10 0 CDAERP C[NH+](C)CCCn1c2c(nc1C(F)(F)F)C[NH2+]CC2 ZINC000085569043 179096253 /nfs/dbraw/zinc/09/62/53/179096253.db2.gz MEHBRKBYMJMJNZ-UHFFFAOYSA-N 2 0 276.306 1.499 10 0 CDAERP CCCc1nc2c(n1[C@H]1CC[N@@H+](C3CC3)C1)CC[NH2+]C2 ZINC000085573026 179098039 /nfs/dbraw/zinc/09/80/39/179098039.db2.gz LOLPCDXFEDWLPR-ZDUSSCGKSA-N 2 0 274.412 1.891 10 0 CDAERP CN1CC[NH2+]C[C@@H]1c1noc([C@@H]2CCCCCC[C@H]2[NH3+])n1 ZINC000263304151 362751106 /nfs/dbraw/zinc/75/11/06/362751106.db2.gz XMWZGMBWABDBTE-JHJVBQTASA-N 2 0 293.415 1.411 10 0 CDAERP [NH3+][C@H](Cc1ccccc1)C(=O)NCC[NH+]1CCCCCC1 ZINC000040768262 346492406 /nfs/dbraw/zinc/49/24/06/346492406.db2.gz LLICWXAZICAWGE-MRXNPFEDSA-N 2 0 289.423 1.549 10 0 CDAERP CC[N@@H+]1CC[C@H](CN2CC[NH2+]C3(CCCCC3)C2)C1 ZINC000086141833 179236939 /nfs/dbraw/zinc/23/69/39/179236939.db2.gz ULNGUKZABUOMOV-HNNXBMFYSA-N 2 0 265.445 1.936 10 0 CDAERP CC[C@H](C)[C@@H]1CN(C[C@@H]2C[N@H+](C)CCN2C)[C@@H](CC)C[NH2+]1 ZINC000086175911 179246735 /nfs/dbraw/zinc/24/67/35/179246735.db2.gz UQUKYXUUNOVNHZ-QAETUUGQSA-N 2 0 296.503 1.331 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CCCn2ccnn2)CC1(C)C ZINC000623490695 347602006 /nfs/dbraw/zinc/60/20/06/347602006.db2.gz SXERSMBOCMUSAZ-GFCCVEGCSA-N 2 0 251.378 1.131 10 0 CDAERP C[C@H]1C[NH2+][C@H](C2CC2)CN1C[C@@H]1CCCC[N@@H+]1C ZINC000086259368 179258459 /nfs/dbraw/zinc/25/84/59/179258459.db2.gz AIQCKLDTLDYWQT-QEJZJMRPSA-N 2 0 251.418 1.543 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCCC[C@@H]2O)CC1(C)C ZINC000623540942 347622525 /nfs/dbraw/zinc/62/25/25/347622525.db2.gz OJBKUFZMSMVJHN-MCIONIFRSA-N 2 0 254.418 2.000 10 0 CDAERP Cc1cccc2c1C[C@H]([NH2+][C@H]1CN(C)C[C@H]1C)CO2 ZINC000623608132 347656253 /nfs/dbraw/zinc/65/62/53/347656253.db2.gz YMAYSSAJDHFGQY-IPYPFGDCSA-N 2 0 260.381 1.838 10 0 CDAERP CC[NH+](CC)CCN(CC(C)C)C(=O)NC/C=C\C[NH3+] ZINC000641864281 365951683 /nfs/dbraw/zinc/95/16/83/365951683.db2.gz BJMIVZWTFDWWOL-FPLPWBNLSA-N 2 0 284.448 1.511 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](CO)C2)[C@H](C)C1 ZINC000414343674 362936200 /nfs/dbraw/zinc/93/62/00/362936200.db2.gz QYERZANLOLYRIL-TUVASFSCSA-N 2 0 254.418 1.857 10 0 CDAERP CC(C)OC[C@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088164718 349260706 /nfs/dbraw/zinc/26/07/06/349260706.db2.gz BBCZYBPYCNYRMI-JALIKCBVSA-N 2 0 270.417 1.377 10 0 CDAERP CC(C)CCNC(=O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000104443465 186003709 /nfs/dbraw/zinc/00/37/09/186003709.db2.gz BYEUETGGURPNFM-LBPRGKRZSA-N 2 0 255.406 1.208 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC000620620350 350289683 /nfs/dbraw/zinc/28/96/83/350289683.db2.gz FKZTUMJAXTYEPD-LBPRGKRZSA-N 2 0 280.416 1.825 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000111243983 482646298 /nfs/dbraw/zinc/64/62/98/482646298.db2.gz MQPZQNQXTKBDTP-LBPRGKRZSA-N 2 0 293.333 1.081 10 0 CDAERP COc1ccc([C@@H](C)[NH2+]CCOCCC[NH3+])cc1 ZINC000629541068 362963555 /nfs/dbraw/zinc/96/35/55/362963555.db2.gz QLDJCZZHOJVZFR-GFCCVEGCSA-N 2 0 252.358 1.711 10 0 CDAERP CN1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000629550246 362983795 /nfs/dbraw/zinc/98/37/95/362983795.db2.gz KKSZOYQVQYTHOI-YHUYYLMFSA-N 2 0 265.445 1.981 10 0 CDAERP CC(C)c1n[nH]cc1C(=O)NCCN(C)CCC[NH+](C)C ZINC000622144390 351034603 /nfs/dbraw/zinc/03/46/03/351034603.db2.gz CJSVBOOFIKKBOK-UHFFFAOYSA-N 2 0 295.431 1.146 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000629566231 363012591 /nfs/dbraw/zinc/01/25/91/363012591.db2.gz IJUUZUQYGUBUJV-RRFJBIMHSA-N 2 0 299.459 1.238 10 0 CDAERP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2C[C@H](C(N)=O)C2)CC1 ZINC000624130454 351432642 /nfs/dbraw/zinc/43/26/42/351432642.db2.gz OGDJBDWBJCPIJP-DARAHFNDSA-N 2 0 293.455 1.883 10 0 CDAERP CC(C)N1C(=O)C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)CC1(C)C ZINC000414747468 366075833 /nfs/dbraw/zinc/07/58/33/366075833.db2.gz UEHBTQHQOGMKIQ-ZIAGYGMSSA-N 2 0 281.444 1.706 10 0 CDAERP CN(CC[NH+](C)C)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000355337910 366077204 /nfs/dbraw/zinc/07/72/04/366077204.db2.gz GNZTUSHNOSRKPY-UHFFFAOYSA-N 2 0 282.432 1.206 10 0 CDAERP CC[C@]1(C)CCC[N@@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000360425642 363214534 /nfs/dbraw/zinc/21/45/34/363214534.db2.gz DAKFISFZPUDDFH-XJKSGUPXSA-N 2 0 295.427 1.188 10 0 CDAERP C[C@@H]([NH2+]CCCC[NH+]1CCOCC1)c1ccccn1 ZINC000158658225 188388291 /nfs/dbraw/zinc/38/82/91/188388291.db2.gz UZFHYHAVUJHNMY-CQSZACIVSA-N 2 0 263.385 1.845 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000659623120 482712409 /nfs/dbraw/zinc/71/24/09/482712409.db2.gz BHXGACGHSAHOAK-ZIAGYGMSSA-N 2 0 282.432 1.240 10 0 CDAERP CN(C[C@H](O)C[NH2+]CC(C)(C)[C@H]1CCCCO1)C1CC1 ZINC000644589595 366220709 /nfs/dbraw/zinc/22/07/09/366220709.db2.gz DWIDARUISSTZFB-HUUCEWRRSA-N 2 0 284.444 1.626 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC[NH2+]1 ZINC000262430506 291037997 /nfs/dbraw/zinc/03/79/97/291037997.db2.gz WMIJTJNNOBBNDY-SOUVJXGZSA-N 2 0 279.428 1.461 10 0 CDAERP O=C(NC1CCN(c2ccccn2)CC1)C1CC[NH2+]CC1 ZINC000037008418 356306049 /nfs/dbraw/zinc/30/60/49/356306049.db2.gz JFPSJHICVLUHPH-UHFFFAOYSA-N 2 0 288.395 1.166 10 0 CDAERP O=C(N1CCN2CCCC[C@@H]2C1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634766639 358504178 /nfs/dbraw/zinc/50/41/78/358504178.db2.gz ORONDTKQPLXUNV-LZWOXQAQSA-N 2 0 277.412 1.073 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000418195547 283177971 /nfs/dbraw/zinc/17/79/71/283177971.db2.gz BTYWVGKWGQJFBO-MCIONIFRSA-N 2 0 284.448 1.404 10 0 CDAERP C[C@@H]([NH2+]C[C@@H]1CSc2ccccc2O1)C1C[NH2+]C1 ZINC000572644198 363575516 /nfs/dbraw/zinc/57/55/16/363575516.db2.gz XQJGXPKUBWHQGH-ZYHUDNBSSA-N 2 0 264.394 1.737 10 0 CDAERP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@]2(O)CCCOC2)C1 ZINC000659976691 412651476 /nfs/dbraw/zinc/65/14/76/412651476.db2.gz USHUWTLKTXDPLT-HUUCEWRRSA-N 2 0 270.417 1.192 10 0 CDAERP [NH3+]C[C@H]1CCC[C@@H]1C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000378675325 482777748 /nfs/dbraw/zinc/77/77/48/482777748.db2.gz ONSZCLPPVUIDNL-OCCSQVGLSA-N 2 0 265.401 1.058 10 0 CDAERP C[NH+](C)C1CCC([NH2+]C[C@H](O)C[C@](C)(O)C2CC2)CC1 ZINC000634716940 357427689 /nfs/dbraw/zinc/42/76/89/357427689.db2.gz BTZCOTMHGUKKCU-FJBKBRRZSA-N 2 0 284.444 1.361 10 0 CDAERP CCC[C@@](C)([NH3+])C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088164373 357430694 /nfs/dbraw/zinc/43/06/94/357430694.db2.gz HRRIWWYOMORRKD-VYHDIPPYSA-N 2 0 267.417 1.635 10 0 CDAERP Cc1nc(CC[NH3+])cc(N(C)C[C@@H]2CCCC[N@@H+]2C)n1 ZINC000067790750 357627239 /nfs/dbraw/zinc/62/72/39/357627239.db2.gz DBNQDOXSZOSJLB-AWEZNQCLSA-N 2 0 277.416 1.207 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](COC)OC)C1 ZINC000659982322 412661087 /nfs/dbraw/zinc/66/10/87/412661087.db2.gz KBNSVVXYLMDHEN-KBPBESRZSA-N 2 0 258.406 1.312 10 0 CDAERP C[C@H]([NH3+])CC[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000390153062 357802837 /nfs/dbraw/zinc/80/28/37/357802837.db2.gz VDFLNNNMHNPSDJ-ZDUSSCGKSA-N 2 0 258.369 1.758 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@@H]1[NH2+]CCc3ccccc31)C2 ZINC000634749795 358236471 /nfs/dbraw/zinc/23/64/71/358236471.db2.gz FWEUMWJIWVNTKB-NXHRZFHOSA-N 2 0 299.418 1.331 10 0 CDAERP CC1CC[NH+](CCN2CC[C@@H]3C[N@H+](C)C[C@@H]32)CC1 ZINC000644728238 366427431 /nfs/dbraw/zinc/42/74/31/366427431.db2.gz DIGRPMRLHROAJW-CABCVRRESA-N 2 0 251.418 1.354 10 0 CDAERP CC1(C)C[NH2+]CC[C@@H](NC(=O)COC2CCC([NH3+])CC2)C1 ZINC000634761463 358417210 /nfs/dbraw/zinc/41/72/10/358417210.db2.gz BSFCQLHANFERIE-ROKHWSDSSA-N 2 0 297.443 1.167 10 0 CDAERP CC[NH+](CC)CC(=O)N(CC[NH3+])c1c(C)cccc1C ZINC000027655394 358523880 /nfs/dbraw/zinc/52/38/80/358523880.db2.gz DUUGOVOJCBLWDT-UHFFFAOYSA-N 2 0 277.412 1.937 10 0 CDAERP COC(=O)c1cnc([C@H](C)[NH2+]CCC2(C[NH3+])CC2)s1 ZINC000593318722 358611179 /nfs/dbraw/zinc/61/11/79/358611179.db2.gz GBOWAGKQPDGHTR-VIFPVBQESA-N 2 0 283.397 1.709 10 0 CDAERP CCC[NH2+]CCNC(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000418470355 283386388 /nfs/dbraw/zinc/38/63/88/283386388.db2.gz JIYCMDZWNLPUGC-UHFFFAOYSA-N 2 0 298.475 1.749 10 0 CDAERP COC(=O)CC[N@H+](CC(C)C)C[C@@]1(C)CC[NH2+]C1 ZINC000261916481 359088248 /nfs/dbraw/zinc/08/82/48/359088248.db2.gz ZOOMEIVDBJCRBA-AWEZNQCLSA-N 2 0 256.390 1.507 10 0 CDAERP Cn1nccc1C1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261962761 359106378 /nfs/dbraw/zinc/10/63/78/359106378.db2.gz HMQHLNVULWDKOY-HNNXBMFYSA-N 2 0 262.401 1.599 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000037643433 359122524 /nfs/dbraw/zinc/12/25/24/359122524.db2.gz QBRDLNVEGHTSTD-CYBMUJFWSA-N 2 0 261.369 1.217 10 0 CDAERP COc1ccccc1[C@H]1C[NH2+]CCN1CC1CC[NH2+]CC1 ZINC000262155876 359141059 /nfs/dbraw/zinc/14/10/59/359141059.db2.gz GKDNPUQWGYCTDA-MRXNPFEDSA-N 2 0 289.423 1.641 10 0 CDAERP Cc1ccccc1C[NH+]1CCC(NC(=O)C2C[NH2+]C2)CC1 ZINC000263280838 359253445 /nfs/dbraw/zinc/25/34/45/359253445.db2.gz JOQRJFQRWJZVQS-UHFFFAOYSA-N 2 0 287.407 1.295 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)c1ccc(C[NH3+])cc1)C1CC1 ZINC000237202784 359432976 /nfs/dbraw/zinc/43/29/76/359432976.db2.gz ZOXZBDNIGXREGJ-CQSZACIVSA-N 2 0 261.369 1.215 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCOC[C@@H]2CCCO2)[C@@H]2CCC[C@@H]21 ZINC000572468955 359566273 /nfs/dbraw/zinc/56/62/73/359566273.db2.gz YNEBFRCHJRIGDH-VGWMRTNUSA-N 2 0 282.428 1.644 10 0 CDAERP C[N@@H+]1C[C@]23C[NH+](C[C@H]4CCOC4)C[C@@]2(C1)CCCC3 ZINC001660700358 1172258610 /nfs/dbraw/zinc/25/86/10/1172258610.db2.gz GPGRUSGRGGLXLH-OAGGEKHMSA-N 2 0 264.413 1.831 10 0 CDAERP C[C@@H]1CCC[C@H]([NH2+][C@H](C2CC2)[C@@H]2CNCCO2)C1 ZINC000422705349 359650854 /nfs/dbraw/zinc/65/08/54/359650854.db2.gz RHRGFFDISYIEMA-UQOMUDLDSA-N 2 0 252.402 1.922 10 0 CDAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@]1(CCO)CCOC1 ZINC000422892119 359666906 /nfs/dbraw/zinc/66/69/06/359666906.db2.gz XLXQKUYXIHVQGQ-OAGGEKHMSA-N 2 0 284.444 1.676 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1COc2ccc(F)cc2C1 ZINC000423124938 359751512 /nfs/dbraw/zinc/75/15/12/359751512.db2.gz PKKNFMNGHNZFRS-KWBADKCTSA-N 2 0 252.333 1.845 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NC2CCC([NH3+])CC2)[C@@H](C)C1 ZINC000335301220 359719137 /nfs/dbraw/zinc/71/91/37/359719137.db2.gz GQVRQKGIFUKFST-VXGQWTEUSA-N 2 0 296.459 1.628 10 0 CDAERP CC(C)[C@H](CO)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000348297568 359976681 /nfs/dbraw/zinc/97/66/81/359976681.db2.gz ZQZZFKVDNRVQGD-BYNSBNAKSA-N 2 0 254.418 1.713 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424461960 360063032 /nfs/dbraw/zinc/06/30/32/360063032.db2.gz LOLGAZAVNKMCJS-BYNSBNAKSA-N 2 0 296.459 1.818 10 0 CDAERP CC(C)[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000335519935 360303093 /nfs/dbraw/zinc/30/30/93/360303093.db2.gz BXSDJJVDPORYRH-ZIAGYGMSSA-N 2 0 267.417 1.317 10 0 CDAERP CC[C@@H](NC[C@@H](O)C[NH+](C)C)c1cccc(OC)c1 ZINC000154269597 360330654 /nfs/dbraw/zinc/33/06/54/360330654.db2.gz JMZDABYSOCBHKM-UKRRQHHQSA-N 2 0 266.385 1.658 10 0 CDAERP Cc1cc(C)n2c(C[NH2+][C@H](C)[C@@H]3CCC[NH2+]C3)cnc2n1 ZINC000514782040 360375370 /nfs/dbraw/zinc/37/53/70/360375370.db2.gz JZHSSJSXODMNIF-ZIAGYGMSSA-N 2 0 287.411 1.824 10 0 CDAERP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CC[N@H+](C)CC12CCCCC2 ZINC000335554126 360414963 /nfs/dbraw/zinc/41/49/63/360414963.db2.gz DHHKLBDECRZSAN-HUUCEWRRSA-N 2 0 293.455 1.851 10 0 CDAERP C[NH+]1CCC(CC[NH2+][C@H]2CCCS(=O)(=O)CC2)CC1 ZINC000634960582 360558879 /nfs/dbraw/zinc/55/88/79/360558879.db2.gz VWXZXPUPCKKLFL-AWEZNQCLSA-N 2 0 288.457 1.275 10 0 CDAERP CCC[NH+]1CCC([NH2+]C[C@H](CO)c2cccnc2)CC1 ZINC000348739112 360587097 /nfs/dbraw/zinc/58/70/97/360587097.db2.gz AWBUFLWRLMEAJD-OAHLLOKOSA-N 2 0 277.412 1.622 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000626921939 360640337 /nfs/dbraw/zinc/64/03/37/360640337.db2.gz RJRFSJCXQRQRRI-QWHCGFSZSA-N 2 0 282.432 1.301 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000626945846 360688827 /nfs/dbraw/zinc/68/88/27/360688827.db2.gz MQDUCFIDQFVUNW-CTASWTNQSA-N 2 0 296.459 1.547 10 0 CDAERP NC(=O)c1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000335683626 360764048 /nfs/dbraw/zinc/76/40/48/360764048.db2.gz LPKVYUZMJXUINC-UHFFFAOYSA-N 2 0 273.380 1.361 10 0 CDAERP CC[C@H](Cn1cncn1)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000643523680 361053640 /nfs/dbraw/zinc/05/36/40/361053640.db2.gz INKANRBYVXYIIO-OAHLLOKOSA-N 2 0 271.368 1.450 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158790124 361393007 /nfs/dbraw/zinc/39/30/07/361393007.db2.gz DQVJOGKWWHRCJG-ZFWWWQNUSA-N 2 0 265.401 1.073 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000644077098 363778968 /nfs/dbraw/zinc/77/89/68/363778968.db2.gz FMOYLCPOVDRCHK-GWCFXTLKSA-N 2 0 297.349 1.567 10 0 CDAERP C[NH+](C)C1(CNC(=O)C2=CC[C@@H]([NH3+])C2)CCCCC1 ZINC000637882296 366783749 /nfs/dbraw/zinc/78/37/49/366783749.db2.gz YINMXWLYHFECBI-CYBMUJFWSA-N 2 0 265.401 1.415 10 0 CDAERP CC(C)OCC[C@@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000521228134 361506213 /nfs/dbraw/zinc/50/62/13/361506213.db2.gz LWTHDCDHEWKVRE-WTXIUTQJSA-N 2 0 284.444 1.767 10 0 CDAERP CC[C@H](CO)[NH+]1CCN(CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000351219027 361623534 /nfs/dbraw/zinc/62/35/34/361623534.db2.gz AQOHUXLNXYTOPB-CVEARBPZSA-N 2 0 283.460 1.249 10 0 CDAERP C[C@H](CCNC(=O)N[C@H](C)[C@H](C)[NH3+])[NH+]1CCCCC1 ZINC000417993893 364119168 /nfs/dbraw/zinc/11/91/68/364119168.db2.gz BKUWRCDZEOPPSH-FRRDWIJNSA-N 2 0 270.421 1.286 10 0 CDAERP CC1CC[NH+](CCCNC(=O)N2CC[C@H]([NH+](C)C)C2)CC1 ZINC000170826848 364367342 /nfs/dbraw/zinc/36/73/42/364367342.db2.gz HRCWYFYEKIABEM-HNNXBMFYSA-N 2 0 296.459 1.454 10 0 CDAERP C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@H]1c1ccccc1 ZINC000270664311 364697844 /nfs/dbraw/zinc/69/78/44/364697844.db2.gz OSVIPFDWEJDYKA-BZUAXINKSA-N 2 0 287.407 1.642 10 0 CDAERP O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CCC2(C1)CC[NH2+]CC2 ZINC000374513570 296069016 /nfs/dbraw/zinc/06/90/16/296069016.db2.gz JTCKVNZIJVXRCM-ZNMIVQPWSA-N 2 0 291.439 1.509 10 0 CDAERP [NH3+]CCC[C@@H]([NH3+])c1cc(O)ccc1Br ZINC000575439423 364992691 /nfs/dbraw/zinc/99/26/91/364992691.db2.gz KIAKFMIXGGTFRW-SNVBAGLBSA-N 2 0 259.147 1.893 10 0 CDAERP CCNC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000353613054 365333132 /nfs/dbraw/zinc/33/31/32/365333132.db2.gz LOPFQQIPEDASMV-XQLPTFJDSA-N 2 0 294.443 1.253 10 0 CDAERP C[C@H]([NH2+]Cc1ccc2c(c1)OCCO2)[C@@H]1CC[NH2+]C1 ZINC000400494889 366959683 /nfs/dbraw/zinc/95/96/83/366959683.db2.gz APSGKWXUHGKNTF-WCQYABFASA-N 2 0 262.353 1.545 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000414756907 241370724 /nfs/dbraw/zinc/37/07/24/241370724.db2.gz RPTAHGZOLPLVQO-ZJIFWQFVSA-N 2 0 283.460 1.543 10 0 CDAERP CC[C@H]1C[C@@H](C[NH2+]CCCN2CC[NH2+]CC2)CCO1 ZINC000414783157 241384335 /nfs/dbraw/zinc/38/43/35/241384335.db2.gz PYHZZAZBKLEJJH-GJZGRUSLSA-N 2 0 269.433 1.077 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000414791270 241388523 /nfs/dbraw/zinc/38/85/23/241388523.db2.gz BDNAJQWUJRFGNU-HOCLYGCPSA-N 2 0 285.395 1.874 10 0 CDAERP C[C@H]1CC[C@@H](NC(=O)NCC[N@H+](C)C2CCCC2)C[NH2+]1 ZINC000626970060 367104306 /nfs/dbraw/zinc/10/43/06/367104306.db2.gz FHASDQRGTYZUCG-QWHCGFSZSA-N 2 0 282.432 1.301 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000627002739 367224846 /nfs/dbraw/zinc/22/48/46/367224846.db2.gz ZSSXFSDBCDDNAL-RRFJBIMHSA-N 2 0 296.459 1.404 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627038962 367280777 /nfs/dbraw/zinc/28/07/77/367280777.db2.gz XMOFXHQEDJIUKT-KGLIPLIRSA-N 2 0 296.459 1.691 10 0 CDAERP CCCC[C@@H](C[NH3+])NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627080831 367380818 /nfs/dbraw/zinc/38/08/18/367380818.db2.gz SXXWMIKXCLCODE-AEGPPILISA-N 2 0 282.432 1.145 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000627117377 367482317 /nfs/dbraw/zinc/48/23/17/367482317.db2.gz SOOROKZULLVHOW-QLFBSQMISA-N 2 0 296.459 1.547 10 0 CDAERP CC(C)[NH+](CCNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C)C(C)C ZINC000416804405 242149291 /nfs/dbraw/zinc/14/92/91/242149291.db2.gz JYBGRFNKRKMAJE-KBPBESRZSA-N 2 0 284.448 1.402 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000417008289 242265749 /nfs/dbraw/zinc/26/57/49/242265749.db2.gz MBRFHDBUXDZNDP-MGPQQGTHSA-N 2 0 284.448 1.404 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000417178538 242348258 /nfs/dbraw/zinc/34/82/58/242348258.db2.gz DVUPSDPLXHDVBH-YDHLFZDLSA-N 2 0 292.427 1.194 10 0 CDAERP COC[C@H](Cc1ccccc1)[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000358389397 367651654 /nfs/dbraw/zinc/65/16/54/367651654.db2.gz DDEULMQVULZCMT-VNQPRFMTSA-N 2 0 262.397 1.784 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627197273 367687108 /nfs/dbraw/zinc/68/71/08/367687108.db2.gz ZUNIYKTVTLTHIB-KBPBESRZSA-N 2 0 284.448 1.356 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C[NH2+]1 ZINC000627199972 367690938 /nfs/dbraw/zinc/69/09/38/367690938.db2.gz HHASPSGHJVMVNN-RBSFLKMASA-N 2 0 294.443 1.254 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)CCC1C[NH2+]C1)c1ccccc1 ZINC000638047391 367778104 /nfs/dbraw/zinc/77/81/04/367778104.db2.gz GQCDAQLPJQVECU-OAHLLOKOSA-N 2 0 275.396 1.405 10 0 CDAERP C[C@H]1CCC[C@](CNC(=O)CCC2C[NH2+]C2)([NH+](C)C)C1 ZINC000638077860 368108234 /nfs/dbraw/zinc/10/82/34/368108234.db2.gz CAFOBWOOQUQMLC-BBRMVZONSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@@H]1CCC[C@@](CNC(=O)C2=CC[C@H]([NH3+])C2)([NH+](C)C)C1 ZINC000638080166 368134888 /nfs/dbraw/zinc/13/48/88/368134888.db2.gz ZTODJRDXKHPQMW-IVMMDQJWSA-N 2 0 279.428 1.661 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc1 ZINC000418461323 243105986 /nfs/dbraw/zinc/10/59/86/243105986.db2.gz LPNQDNMAGLPSMV-JHJVBQTASA-N 2 0 290.411 1.598 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000418464320 243109664 /nfs/dbraw/zinc/10/96/64/243109664.db2.gz POTOHRQUIIZJLG-XUJVJEKNSA-N 2 0 290.411 1.646 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000418584484 243238721 /nfs/dbraw/zinc/23/87/21/243238721.db2.gz CCQUCESPDBEYDN-CHWSQXEVSA-N 2 0 282.432 1.110 10 0 CDAERP CC(C)CC[C@H]([NH3+])C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000638124015 368518936 /nfs/dbraw/zinc/51/89/36/368518936.db2.gz VGBJZQCVIBHUNZ-ILXRZTDVSA-N 2 0 281.444 1.835 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000418693615 243346227 /nfs/dbraw/zinc/34/62/27/243346227.db2.gz HAKFPWYGVZEQHE-NEPJUHHUSA-N 2 0 298.456 1.557 10 0 CDAERP O=C([C@H]1CC[NH2+]C1)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000373041323 296124455 /nfs/dbraw/zinc/12/44/55/296124455.db2.gz ZZWHARZTWQSRKS-KBPBESRZSA-N 2 0 265.401 1.073 10 0 CDAERP C[NH+](C)CCCC[NH2+]C1CCC(CS(C)(=O)=O)CC1 ZINC000340209032 368647000 /nfs/dbraw/zinc/64/70/00/368647000.db2.gz GHSBODRPTQXXFM-UHFFFAOYSA-N 2 0 290.473 1.521 10 0 CDAERP C[C@H]1C[C@H]([NH2+]CCN2C(=O)c3ccccc3C2=O)CC[NH2+]1 ZINC000414947308 370936196 /nfs/dbraw/zinc/93/61/96/370936196.db2.gz KQBZIJYTGNVGBG-NWDGAFQWSA-N 2 0 287.363 1.013 10 0 CDAERP CC(C)[N@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H]1CCOC1 ZINC000361409444 368803634 /nfs/dbraw/zinc/80/36/34/368803634.db2.gz VLJSQKVRGYSFHL-KRWDZBQOSA-N 2 0 297.487 1.902 10 0 CDAERP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000367520802 369175588 /nfs/dbraw/zinc/17/55/88/369175588.db2.gz ZEKCIBDNJQMCNL-ZFWWWQNUSA-N 2 0 291.443 1.403 10 0 CDAERP Cc1noc(CCC[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)n1 ZINC000420394447 244196515 /nfs/dbraw/zinc/19/65/15/244196515.db2.gz KPFORTHXWPXKSB-UONOGXRCSA-N 2 0 278.400 1.775 10 0 CDAERP FC(F)COCC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420402109 244204651 /nfs/dbraw/zinc/20/46/51/244204651.db2.gz QEOWSYSJXFCALI-RYUDHWBXSA-N 2 0 262.344 1.732 10 0 CDAERP C(CC[NH+]1CCOCC1)C[NH2+]CC1CCSCC1 ZINC000638369493 369549571 /nfs/dbraw/zinc/54/95/71/369549571.db2.gz BUSSZQBOTKSYAD-UHFFFAOYSA-N 2 0 272.458 1.832 10 0 CDAERP C[C@@H]1C[C@H](C)[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000547769826 369636380 /nfs/dbraw/zinc/63/63/80/369636380.db2.gz QCGQKUFCKMGFJW-TXEJJXNPSA-N 2 0 265.401 1.212 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC[N@@H+]1C ZINC000548090968 369749762 /nfs/dbraw/zinc/74/97/62/369749762.db2.gz UGVYQUQTTHYGAW-ZQDZILKHSA-N 2 0 281.444 1.706 10 0 CDAERP C[C@H](CNC(=O)[C@@]1(C)CCC[NH2+]1)C[NH+]1CCCCC1 ZINC000079545488 369860202 /nfs/dbraw/zinc/86/02/02/369860202.db2.gz HZGGFDCKGSACPQ-UKRRQHHQSA-N 2 0 267.417 1.367 10 0 CDAERP CCC[NH+]1CCN(c2ccccc2CN[C@H](C)C[NH3+])CC1 ZINC000414927055 370363448 /nfs/dbraw/zinc/36/34/48/370363448.db2.gz KTZDRPREIXDNEO-OAHLLOKOSA-N 2 0 290.455 1.655 10 0 CDAERP C[C@@H](CNC(=O)N(CC[NH3+])CCc1ccccc1)[NH+](C)C ZINC000418257518 370340900 /nfs/dbraw/zinc/34/09/00/370340900.db2.gz NBUPDSNERSKPCC-AWEZNQCLSA-N 2 0 292.427 1.150 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000422739414 245200724 /nfs/dbraw/zinc/20/07/24/245200724.db2.gz LDODBLHIPMTSFZ-ZFWWWQNUSA-N 3 0 253.434 1.839 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])CC1 ZINC000422743838 245205035 /nfs/dbraw/zinc/20/50/35/245205035.db2.gz RYPMMXSANNUIMY-VNQPRFMTSA-N 3 0 283.460 1.450 10 0 CDAERP Cc1ccc(O)c(C[NH2+]Cc2ccc(C[NH3+])cc2)n1 ZINC000567613023 371065382 /nfs/dbraw/zinc/06/53/82/371065382.db2.gz JJKXOSJSIGUJCF-UHFFFAOYSA-N 2 0 257.337 1.844 10 0 CDAERP CC[NH+]1CCC(CC[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])CC1 ZINC000422778773 245246567 /nfs/dbraw/zinc/24/65/67/245246567.db2.gz DZJNOHOFTZSNJH-FVQBIDKESA-N 3 0 283.460 1.450 10 0 CDAERP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000567821213 371159650 /nfs/dbraw/zinc/15/96/50/371159650.db2.gz WWWMVDCNOYXAFM-DUJLVANISA-N 2 0 282.432 1.427 10 0 CDAERP C[C@H](CN[C@H](C1CC1)[C@@H]1C[NH2+]CCO1)[N@@H+]1CCCC[C@H]1C ZINC000422857837 245340914 /nfs/dbraw/zinc/34/09/14/245340914.db2.gz IDUJRSQWXVCCIB-TXCZRRACSA-N 2 0 295.471 1.606 10 0 CDAERP COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCc3nc[nH]c3C2)cn1 ZINC000573070363 371410555 /nfs/dbraw/zinc/41/05/55/371410555.db2.gz NJUXEWVQJUEMLK-DGCLKSJQSA-N 2 0 286.379 1.891 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)CCCC[NH+](C)C ZINC000573116236 371428834 /nfs/dbraw/zinc/42/88/34/371428834.db2.gz XZXYIVPPIGHEHN-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP CC(C)n1nccc1C[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000578054159 372244435 /nfs/dbraw/zinc/24/44/35/372244435.db2.gz LJHOPFPTAGFKIO-LLVKDONJSA-N 2 0 259.357 1.834 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174629802 372611435 /nfs/dbraw/zinc/61/14/35/372611435.db2.gz UBKNFPLMQIOMQS-CABCVRRESA-N 2 0 294.443 1.372 10 0 CDAERP CC[NH+](CC)CCCN1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000191459102 373494362 /nfs/dbraw/zinc/49/43/62/373494362.db2.gz CWVZVNWUYVXHSQ-MRXNPFEDSA-N 2 0 297.487 1.903 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000341317741 373540620 /nfs/dbraw/zinc/54/06/20/373540620.db2.gz KSWBKBFGKRBPOC-UMVBOHGHSA-N 2 0 296.459 1.499 10 0 CDAERP CC1([NH+]2CCCC2)CC[NH+](CC2(O)CCC2)CC1 ZINC000639982284 373893096 /nfs/dbraw/zinc/89/30/96/373893096.db2.gz KYVVOLKTUHMOAB-UHFFFAOYSA-N 2 0 252.402 1.852 10 0 CDAERP C[C@@H](C[C@H]1COCC[NH2+]1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000643469285 374010426 /nfs/dbraw/zinc/01/04/26/374010426.db2.gz HCJSNCYAXYGSCG-STQMWFEESA-N 2 0 287.367 1.446 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000418560169 374410538 /nfs/dbraw/zinc/41/05/38/374410538.db2.gz RKCMYMWWMBRCES-CBBWQLFWSA-N 2 0 294.443 1.110 10 0 CDAERP C[NH2+]CCC1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000418581591 374416359 /nfs/dbraw/zinc/41/63/59/374416359.db2.gz UXDUBQDSGQMAOI-TZMCWYRMSA-N 2 0 282.432 1.016 10 0 CDAERP COCC[C@@H](C)[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000361528206 541940610 /nfs/dbraw/zinc/94/06/10/541940610.db2.gz VHYGFRAWEZHCEA-CYBMUJFWSA-N 2 0 279.384 1.637 10 0 CDAERP [NH3+][C@@H]1CC=C(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000638800693 374817675 /nfs/dbraw/zinc/81/76/75/374817675.db2.gz OQSNXUWJOABYCL-DOTOQJQBSA-N 2 0 299.418 1.672 10 0 CDAERP C[N@@H+]1CCCC12CC[NH+](C[C@]1(O)CCCOC1)CC2 ZINC000660166878 412832435 /nfs/dbraw/zinc/83/24/35/412832435.db2.gz HIZAQRDJLYBKJZ-OAHLLOKOSA-N 2 0 268.401 1.088 10 0 CDAERP CCc1nccn1[C@@H]1CCC[N@H+](CCOCCO)C1 ZINC000132984778 375538733 /nfs/dbraw/zinc/53/87/33/375538733.db2.gz NIXGROMMSVSVCK-CYBMUJFWSA-N 2 0 267.373 1.091 10 0 CDAERP CC[NH+]1CCC(NC(=O)C[NH+]2C[C@H]3CCCC[C@@H]3C2)CC1 ZINC000426803016 247066677 /nfs/dbraw/zinc/06/66/77/247066677.db2.gz ZQWNHEHYWGEORE-HUUCEWRRSA-N 2 0 293.455 1.709 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000417288791 375745963 /nfs/dbraw/zinc/74/59/63/375745963.db2.gz RYGJSGVFPJWNNA-KBPBESRZSA-N 2 0 282.432 1.287 10 0 CDAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(CCO)CC2)[C@@H](C)C1 ZINC000427982469 247224033 /nfs/dbraw/zinc/22/40/33/247224033.db2.gz RGZPGGBTTMOMOF-JKSUJKDBSA-N 2 0 298.471 1.876 10 0 CDAERP [NH3+]CCc1nc(C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)cs1 ZINC000194841798 375963153 /nfs/dbraw/zinc/96/31/53/375963153.db2.gz GKTOZNGJBVLMJY-JTQLQIEISA-N 2 0 294.424 1.001 10 0 CDAERP C[NH+](C)CCOCC[NH2+]Cc1ccnn1CC1CCC1 ZINC000631112652 375965412 /nfs/dbraw/zinc/96/54/12/375965412.db2.gz GZSSIEJPCXQTCL-UHFFFAOYSA-N 2 0 280.416 1.351 10 0 CDAERP O[C@@H](CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1)C(F)F ZINC000631214888 376014477 /nfs/dbraw/zinc/01/44/77/376014477.db2.gz CHVPCTYQTVSOSK-LBPRGKRZSA-N 2 0 282.294 1.373 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1nn(C)c2ccccc12 ZINC000643481007 376130844 /nfs/dbraw/zinc/13/08/44/376130844.db2.gz AQFQJCSBIXJIAZ-GFCCVEGCSA-N 2 0 276.384 1.417 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@@]2(C)CCCC[NH2+]2)CC1 ZINC000638974646 376313842 /nfs/dbraw/zinc/31/38/42/376313842.db2.gz BGRIPYXBSFVDBQ-OAHLLOKOSA-N 2 0 281.444 1.851 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC[C@H](O)C(F)F)[C@@H]2CCC[C@H]21 ZINC000631705832 376478321 /nfs/dbraw/zinc/47/83/21/376478321.db2.gz QYYMSBKRMFTYIO-YFKTTZPYSA-N 2 0 262.344 1.465 10 0 CDAERP C[C@@H]1CCCN1C(=O)CC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000334617309 376564107 /nfs/dbraw/zinc/56/41/07/376564107.db2.gz XOCDDTKOSNWQIY-GDBMZVCRSA-N 2 0 279.428 1.415 10 0 CDAERP C[C@@H]1CCC[N@H+](C[C@H]2CCc3ncnn32)[C@@H]1CC[NH3+] ZINC000631829377 376667434 /nfs/dbraw/zinc/66/74/34/376667434.db2.gz OYQURGWTRWYCTM-JHJVBQTASA-N 2 0 263.389 1.215 10 0 CDAERP COCC[NH2+]C1CCN(C[C@@H]2CCCCO2)CC1 ZINC000631829158 376664680 /nfs/dbraw/zinc/66/46/80/376664680.db2.gz IRXBALCINGEPFG-AWEZNQCLSA-N 2 0 256.390 1.256 10 0 CDAERP CC[NH+](CC)CCCNC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000416822752 284600434 /nfs/dbraw/zinc/60/04/34/284600434.db2.gz WHLBILBUSSPWQD-LLVKDONJSA-N 2 0 292.374 1.015 10 0 CDAERP CCN(C(=O)C[NH3+])[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000165946120 376869235 /nfs/dbraw/zinc/86/92/35/376869235.db2.gz OTEXHCRJWWJWGF-DZGCQCFKSA-N 2 0 275.396 1.629 10 0 CDAERP C[C@H]([NH3+])CCC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000070317527 377033642 /nfs/dbraw/zinc/03/36/42/377033642.db2.gz LOYHSJVCQSRBTA-ZDUSSCGKSA-N 2 0 255.406 1.352 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCCC(=O)OC)[C@@H](C)C1 ZINC000247054810 377039195 /nfs/dbraw/zinc/03/91/95/377039195.db2.gz OQFNYYCEATXXPR-STQMWFEESA-N 2 0 256.390 1.602 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000417445234 377154471 /nfs/dbraw/zinc/15/44/71/377154471.db2.gz GEQFXHUJZYMAOW-MELADBBJSA-N 2 0 282.432 1.110 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000089462240 483088582 /nfs/dbraw/zinc/08/85/82/483088582.db2.gz DZUKQPHVTULUIX-MCIONIFRSA-N 2 0 267.417 1.304 10 0 CDAERP C[C@H]1CCC[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000334875333 377639453 /nfs/dbraw/zinc/63/94/53/377639453.db2.gz RHDGSDWJYZOFLE-UONOGXRCSA-N 2 0 267.417 1.306 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262028805 284675642 /nfs/dbraw/zinc/67/56/42/284675642.db2.gz BHVVECSGQBYVST-IJEWVQPXSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000417529756 377882915 /nfs/dbraw/zinc/88/29/15/377882915.db2.gz HBCUKPAAQVPDDS-KBUPBQIOSA-N 2 0 296.459 1.628 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000257696608 377851767 /nfs/dbraw/zinc/85/17/67/377851767.db2.gz NBXNRFUBUGDUAN-CHWSQXEVSA-N 2 0 253.390 1.201 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)CC[N@@H+]1C ZINC000633032436 378058023 /nfs/dbraw/zinc/05/80/23/378058023.db2.gz JSPNUSYQZLOIQJ-FXUDXRNXSA-N 2 0 293.455 1.802 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)C[NH+](C)C)CC[N@@H+]1C ZINC000633173505 378175223 /nfs/dbraw/zinc/17/52/23/378175223.db2.gz HNOOHGQLCNNSRO-FRRDWIJNSA-N 2 0 255.406 1.031 10 0 CDAERP C[C@H]([NH3+])CCC(=O)NCCC[NH+]1CCCCCC1 ZINC000193291366 378286806 /nfs/dbraw/zinc/28/68/06/378286806.db2.gz ZZSIGSYBOYBJKF-ZDUSSCGKSA-N 2 0 255.406 1.496 10 0 CDAERP CCOCC[N@@H+]1CCN(c2cc(C)[nH+]c(N)n2)C[C@H]1CC ZINC000069847475 378915033 /nfs/dbraw/zinc/91/50/33/378915033.db2.gz SZRNSSCGFDJRTH-CYBMUJFWSA-N 2 0 293.415 1.304 10 0 CDAERP CO[C@H](CN1CCC[C@@H]([NH2+]C(C)C)C1)[C@H]1CCOC1 ZINC000660068344 412903009 /nfs/dbraw/zinc/90/30/09/412903009.db2.gz DXOKBUFONFZIQO-RRFJBIMHSA-N 2 0 270.417 1.500 10 0 CDAERP [NH3+][C@@H]1CCC[C@H](NC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000446412281 250292374 /nfs/dbraw/zinc/29/23/74/250292374.db2.gz HHHLNYUAIBMRNF-RQJABVFESA-N 2 0 267.417 1.670 10 0 CDAERP [NH3+][C@@H]1CCCN(C2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000070495218 379392119 /nfs/dbraw/zinc/39/21/19/379392119.db2.gz BBSWAMGSTHEMHV-MRXNPFEDSA-N 2 0 287.407 1.601 10 0 CDAERP CCN(C(=O)N[C@@H](C)CC[NH+](C)C)[C@H]1CC[N@H+](CC)C1 ZINC000663849572 412912819 /nfs/dbraw/zinc/91/28/19/412912819.db2.gz KWLKLMHDGVFLOW-KBPBESRZSA-N 2 0 284.448 1.452 10 0 CDAERP CC(C)[NH2+][C@H]1CCCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)C1 ZINC000655914069 412919030 /nfs/dbraw/zinc/91/90/30/412919030.db2.gz CFLUXBDJQZPXDB-VHSXEESVSA-N 2 0 296.337 1.048 10 0 CDAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]CC3(F)CC3)cc2)C1 ZINC000657597285 412925041 /nfs/dbraw/zinc/92/50/41/412925041.db2.gz SCLHOUBTOADMJM-OAHLLOKOSA-N 2 0 278.371 1.845 10 0 CDAERP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925687130 735547908 /nfs/dbraw/zinc/54/79/08/735547908.db2.gz YZQRABCYDCTAPJ-UONOGXRCSA-N 2 0 251.418 1.593 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC000234776913 483158345 /nfs/dbraw/zinc/15/83/45/483158345.db2.gz WURXEDDWVZNECO-AWEZNQCLSA-N 2 0 299.459 1.367 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000655962741 412965230 /nfs/dbraw/zinc/96/52/30/412965230.db2.gz CBTGEXYSXIRMJQ-MQYQWHSLSA-N 2 0 282.432 1.143 10 0 CDAERP CCC(C)(C)[NH+]1CCN(C(=O)N[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000655968007 412969244 /nfs/dbraw/zinc/96/92/44/412969244.db2.gz KQDVSRQMJRYHIA-NEPJUHHUSA-N 2 0 270.421 1.238 10 0 CDAERP [NH3+]CC1(CCNC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000655968672 412969715 /nfs/dbraw/zinc/96/97/15/412969715.db2.gz DINHUHWURUFZIX-UONOGXRCSA-N 2 0 294.443 1.432 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CCCNC(=O)C[NH+](C)C(C)C ZINC001663123234 1172637142 /nfs/dbraw/zinc/63/71/42/1172637142.db2.gz DFZCFOLXTUWCRW-CQSZACIVSA-N 2 0 269.433 1.707 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cncnc1 ZINC000289429197 197342534 /nfs/dbraw/zinc/34/25/34/197342534.db2.gz KKCLLDKUXSUKFC-MRXNPFEDSA-N 2 0 291.443 1.325 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C[NH+](C)C(C)C ZINC000177022352 285234563 /nfs/dbraw/zinc/23/45/63/285234563.db2.gz VMVNQWREHQNMMP-CYBMUJFWSA-N 2 0 255.406 1.269 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1nccn1C ZINC000349065491 285250810 /nfs/dbraw/zinc/25/08/10/285250810.db2.gz ZYVIPDUMPPEWIR-OAHLLOKOSA-N 2 0 293.459 1.268 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261710494 296428396 /nfs/dbraw/zinc/42/83/96/296428396.db2.gz JDKYUEXIILQXPG-KBUPBQIOSA-N 2 0 281.444 1.741 10 0 CDAERP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CC[NH2+]C2)o1 ZINC000646967839 390322386 /nfs/dbraw/zinc/32/23/86/390322386.db2.gz NYSFHILANSDKBR-LBPRGKRZSA-N 2 0 279.384 1.461 10 0 CDAERP CC(C)C[C@H]([NH3+])c1noc([C@H]2C[NH2+]CCC2(F)F)n1 ZINC000647133084 390501285 /nfs/dbraw/zinc/50/12/85/390501285.db2.gz YRMRKFPBLPUWOU-BDAKNGLRSA-N 2 0 274.315 1.828 10 0 CDAERP CC(C)(C)[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000155476802 390919058 /nfs/dbraw/zinc/91/90/58/390919058.db2.gz UOCKHLHYAWLRTK-CQSZACIVSA-N 2 0 297.443 1.134 10 0 CDAERP CC(C)C[C@H]([NH3+])C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000415100226 391012868 /nfs/dbraw/zinc/01/28/68/391012868.db2.gz HRSCZFBKVNMWAB-IGQOVBAYSA-N 2 0 252.402 1.907 10 0 CDAERP CC(C)C[C@@H]([NH3+])CN[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000415090687 391013858 /nfs/dbraw/zinc/01/38/58/391013858.db2.gz ZFSWLZMFRYNLSR-MNOVXSKESA-N 2 0 295.349 1.503 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000353453470 391019781 /nfs/dbraw/zinc/01/97/81/391019781.db2.gz RJSDOHDELOIHCU-VNQPRFMTSA-N 2 0 293.455 1.613 10 0 CDAERP C([C@@H]1CCC[NH2+]C1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647479389 390966569 /nfs/dbraw/zinc/96/65/69/390966569.db2.gz FKPKYEQBIGAIFM-QLFBSQMISA-N 2 0 251.418 1.450 10 0 CDAERP C[C@H](Cc1ccccc1)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647492592 390969505 /nfs/dbraw/zinc/96/95/05/390969505.db2.gz LTOVEARTCDYNCV-MRXNPFEDSA-N 2 0 275.440 1.702 10 0 CDAERP CC[NH+](CC)CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001663442795 1172695436 /nfs/dbraw/zinc/69/54/36/1172695436.db2.gz GFUTWFFBQDIYJP-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000417753991 391032345 /nfs/dbraw/zinc/03/23/45/391032345.db2.gz UZWPQXBMIMVPLI-RYUDHWBXSA-N 2 0 270.421 1.143 10 0 CDAERP C[C@H]1C[C@H](C[NH2+]CCc2cn3ccccc3n2)CC[NH2+]1 ZINC000415120403 391038436 /nfs/dbraw/zinc/03/84/36/391038436.db2.gz YCJIUDOOYWOCDN-UONOGXRCSA-N 2 0 272.396 1.855 10 0 CDAERP [NH2+]=C(NCc1ccccc1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000307480662 391075123 /nfs/dbraw/zinc/07/51/23/391075123.db2.gz GTKIJWXWUNLWRU-GJZGRUSLSA-N 2 0 272.396 1.927 10 0 CDAERP Cc1cc(C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)ccn1 ZINC000527653573 391086357 /nfs/dbraw/zinc/08/63/57/391086357.db2.gz MTQSEVOUICCKHP-AWEZNQCLSA-N 2 0 262.401 1.116 10 0 CDAERP C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)[C@@H]1CCC[NH2+]C1 ZINC000647903034 391199540 /nfs/dbraw/zinc/19/95/40/391199540.db2.gz FEWDQXMJRGNBSS-HRCADAONSA-N 3 0 265.445 1.840 10 0 CDAERP [NH3+][C@@H]1CCC[C@H](C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)C1 ZINC000186496088 391309131 /nfs/dbraw/zinc/30/91/31/391309131.db2.gz UESOBKZPHSOEKD-XQQFMLRXSA-N 2 0 265.401 1.247 10 0 CDAERP COc1ccc(CNC(=O)CN2CCC(C)([NH3+])CC2)cc1 ZINC000647927739 391325297 /nfs/dbraw/zinc/32/52/97/391325297.db2.gz DEXGMZHSPPUTJE-UHFFFAOYSA-N 2 0 291.395 1.125 10 0 CDAERP CC[NH+]1CCN(CC(C)(C)[NH2+]CC[C@H]2CCCCO2)CC1 ZINC000451981242 391327346 /nfs/dbraw/zinc/32/73/46/391327346.db2.gz ILRMEGBOWOJHNA-MRXNPFEDSA-N 2 0 297.487 1.951 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@H]2CCC[NH2+]2)cc1 ZINC000418361065 391407361 /nfs/dbraw/zinc/40/73/61/391407361.db2.gz GPZYMHFZXMQZLW-SMDDNHRTSA-N 2 0 276.384 1.258 10 0 CDAERP C[C@@H]1C[C@H](C[N@H+](C)[C@@H]2CCN(C3CC3)C2)CC[NH2+]1 ZINC000414691880 391345180 /nfs/dbraw/zinc/34/51/80/391345180.db2.gz KAWHHAYPEYCMLE-UMVBOHGHSA-N 2 0 251.418 1.543 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCC[NH+]1C ZINC000354154929 391409568 /nfs/dbraw/zinc/40/95/68/391409568.db2.gz FXHSTXZRNVLHRI-STQMWFEESA-N 2 0 253.390 1.071 10 0 CDAERP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N[C@H](C)[C@@H](C)[NH3+])cc1 ZINC000418357494 391384555 /nfs/dbraw/zinc/38/45/55/391384555.db2.gz QSPUCWNUUUOQLP-LALPHHSUSA-N 2 0 292.427 1.845 10 0 CDAERP [NH3+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000648110254 391400167 /nfs/dbraw/zinc/40/01/67/391400167.db2.gz GRSNKVRQFBWPEY-LSDHHAIUSA-N 2 0 275.396 1.349 10 0 CDAERP C[C@@H]1C[C@@H](C)CN(C(=O)CN2CC[C@@]3(CC[N@H+](C)C3)C2)C1 ZINC000366531866 391431873 /nfs/dbraw/zinc/43/18/73/391431873.db2.gz AOTWZMYGCCBADF-BFYDXBDKSA-N 2 0 293.455 1.519 10 0 CDAERP CC(C)[NH2+]CCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000193476177 391461764 /nfs/dbraw/zinc/46/17/64/391461764.db2.gz VMPSUPALZHVLDT-GDBMZVCRSA-N 2 0 265.445 1.933 10 0 CDAERP CCN1CC[NH+](CCCC[NH2+][C@H]2CC[C@H]2SC)CC1 ZINC000425348910 391473961 /nfs/dbraw/zinc/47/39/61/391473961.db2.gz DWGQXRMTIBIUHT-LSDHHAIUSA-N 2 0 285.501 1.888 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@@H]1Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000643469424 391479804 /nfs/dbraw/zinc/47/98/04/391479804.db2.gz UTBMTCYQBXATJQ-FZMZJTMJSA-N 2 0 257.341 1.807 10 0 CDAERP CC[C@@H]1C[C@@H](C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CCO1 ZINC000426005320 391559504 /nfs/dbraw/zinc/55/95/04/391559504.db2.gz RWLGPKUNTGYGSC-BYNSBNAKSA-N 2 0 252.402 1.685 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCCC[NH2+]C1CC1 ZINC000417531974 391642636 /nfs/dbraw/zinc/64/26/36/391642636.db2.gz KEFAQVVEVPFVPA-ZIAGYGMSSA-N 2 0 296.459 1.691 10 0 CDAERP C[C@@H](Cc1ccoc1)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000648416113 391598805 /nfs/dbraw/zinc/59/88/05/391598805.db2.gz PQNUNRGKXKPALP-AWEZNQCLSA-N 2 0 279.428 1.826 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000417612589 391700918 /nfs/dbraw/zinc/70/09/18/391700918.db2.gz RGSRLXFYJGZRCR-KBPBESRZSA-N 2 0 282.432 1.112 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000335396859 391704389 /nfs/dbraw/zinc/70/43/89/391704389.db2.gz VBQRVFZVASDHGT-ZBFHGGJFSA-N 2 0 279.428 1.461 10 0 CDAERP CCC[C@@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415052813 391744512 /nfs/dbraw/zinc/74/45/12/391744512.db2.gz LLHSEMURUZXWTD-WLYUNCDWSA-N 2 0 253.434 1.981 10 0 CDAERP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000415015950 391724027 /nfs/dbraw/zinc/72/40/27/391724027.db2.gz NOMLLZDXLYJCLK-OUAUKWLOSA-N 2 0 267.348 1.868 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415033380 391730859 /nfs/dbraw/zinc/73/08/59/391730859.db2.gz BQONZFICUMWKRW-ILXRZTDVSA-N 2 0 253.434 1.824 10 0 CDAERP COC1(CC[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)CCC1 ZINC000646106675 392017062 /nfs/dbraw/zinc/01/70/62/392017062.db2.gz KUWSWCOBQVKVFQ-UHFFFAOYSA-N 2 0 282.428 1.742 10 0 CDAERP [NH3+][C@@H](C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)C1CCC1 ZINC000649319019 392011291 /nfs/dbraw/zinc/01/12/91/392011291.db2.gz ASFHOXPEOYLFCW-CYBMUJFWSA-N 2 0 271.324 1.333 10 0 CDAERP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC000227605891 392025201 /nfs/dbraw/zinc/02/52/01/392025201.db2.gz ITMUFVGJIUDQSC-CYBMUJFWSA-N 2 0 283.416 1.728 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCN2CCO)[C@H]2CCC[C@@H]21 ZINC000453259293 392027459 /nfs/dbraw/zinc/02/74/59/392027459.db2.gz ICZSFRIUCCDSHR-YVSFHVDLSA-N 2 0 295.471 1.296 10 0 CDAERP CC(C)(C)[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C[C@H]1O ZINC000262020421 392029261 /nfs/dbraw/zinc/02/92/61/392029261.db2.gz WEGGRCOQFKLMGU-ZIAGYGMSSA-N 2 0 254.418 1.715 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261982653 392029980 /nfs/dbraw/zinc/02/99/80/392029980.db2.gz MGMIPCVXQOKARA-UMVBOHGHSA-N 2 0 297.443 1.119 10 0 CDAERP CCC[N@H+](C)C[C@H]1CC[NH+](CC2(C(=O)OC)CC2)C1 ZINC000448518716 392211433 /nfs/dbraw/zinc/21/14/33/392211433.db2.gz GHHHJFQQGHXYJQ-CYBMUJFWSA-N 2 0 268.401 1.603 10 0 CDAERP COCCN1CCC[C@H]1C[NH2+][C@@H](C)c1cnccc1N ZINC000422712633 392252031 /nfs/dbraw/zinc/25/20/31/392252031.db2.gz OKFXWVWLURMQEF-STQMWFEESA-N 2 0 278.400 1.256 10 0 CDAERP COCCN1CCC[C@@H]1C[NH2+][C@H](C)c1cnccc1N ZINC000422712630 392252186 /nfs/dbraw/zinc/25/21/86/392252186.db2.gz OKFXWVWLURMQEF-CHWSQXEVSA-N 2 0 278.400 1.256 10 0 CDAERP CC[C@H](NCC[N@@H+]1CCCC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422857368 392267984 /nfs/dbraw/zinc/26/79/84/392267984.db2.gz HFDFZBZRJGGQKN-ILXRZTDVSA-N 2 0 253.434 1.981 10 0 CDAERP [NH3+]CCCCC(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000567909036 392290662 /nfs/dbraw/zinc/29/06/62/392290662.db2.gz YPHAYOKTASRLRW-QWHCGFSZSA-N 2 0 253.390 1.106 10 0 CDAERP CC1=CC[N@H+](CCN[C@@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000423040484 392293570 /nfs/dbraw/zinc/29/35/70/392293570.db2.gz UHJOIRKRPDWFMA-GJZGRUSLSA-N 2 0 251.418 1.759 10 0 CDAERP [NH3+]C1(CNC(=O)N[C@H]2CC[NH2+]C23CCC3)CCCCCC1 ZINC000529330365 392332944 /nfs/dbraw/zinc/33/29/44/392332944.db2.gz ORICIMVRKPVAPT-ZDUSSCGKSA-N 2 0 294.443 1.622 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1cc(OC)ccc1OC ZINC000629528620 392384770 /nfs/dbraw/zinc/38/47/70/392384770.db2.gz FDVGPEGRMXLNLO-LBPRGKRZSA-N 2 0 282.384 1.590 10 0 CDAERP CC[C@@H]([NH2+]CCOCC[NH2+]C)c1ccc(OC)cc1 ZINC000629528570 392385187 /nfs/dbraw/zinc/38/51/87/392385187.db2.gz CNDWKIVXLGSWRB-OAHLLOKOSA-N 2 0 266.385 1.972 10 0 CDAERP COc1ccc([C@H](NC2CC[NH2+]CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423178411 392419584 /nfs/dbraw/zinc/41/95/84/392419584.db2.gz FWLIBGVRDVSASP-SJORKVTESA-N 2 0 289.423 1.830 10 0 CDAERP [NH3+]CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423195275 392433823 /nfs/dbraw/zinc/43/38/23/392433823.db2.gz ZELNFPPWXFXCNF-MUJYYYPQSA-N 2 0 259.397 1.730 10 0 CDAERP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000573905348 392460929 /nfs/dbraw/zinc/46/09/29/392460929.db2.gz KUOHZAIKPYXVAG-BBRMVZONSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)C[C@H]([NH2+]CC[C@H]1CCOC1)C(=O)NCC[NH+](C)C ZINC000437785313 392490849 /nfs/dbraw/zinc/49/08/49/392490849.db2.gz LUZGZXWOOZQUMA-GJZGRUSLSA-N 2 0 299.459 1.095 10 0 CDAERP C(C1CC1)[NH+]1CCC([NH2+][C@H]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000540396930 392765657 /nfs/dbraw/zinc/76/56/57/392765657.db2.gz FZPFPMMJVUPVMZ-IRXDYDNUSA-N 2 0 294.439 1.789 10 0 CDAERP O=C(NCCC[C@@H]1CCC[NH2+]1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000514925518 393065949 /nfs/dbraw/zinc/06/59/49/393065949.db2.gz SZPSEEWCNCCNIL-GOEBONIOSA-N 2 0 294.443 1.304 10 0 CDAERP COC(=O)C1(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)CC1 ZINC000451066229 393078671 /nfs/dbraw/zinc/07/86/71/393078671.db2.gz CBNKCYJVOMDGBH-AWEZNQCLSA-N 2 0 266.385 1.357 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)[C@H]1C ZINC000495089330 393175992 /nfs/dbraw/zinc/17/59/92/393175992.db2.gz XXORTUPDZXCRPR-QPSCCSFWSA-N 2 0 254.418 1.857 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)[C@@H]1C ZINC000494890113 393122579 /nfs/dbraw/zinc/12/25/79/393122579.db2.gz DNJLDQDJHZDTAA-FMKPAKJESA-N 2 0 288.439 1.968 10 0 CDAERP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000494914980 393129739 /nfs/dbraw/zinc/12/97/39/393129739.db2.gz MQMURBZWOQRLGP-LBPRGKRZSA-N 2 0 255.406 1.364 10 0 CDAERP CCc1nccn1[C@@H](C)CC(=O)NCC[N@H+](C)CCOC ZINC000648763350 393296757 /nfs/dbraw/zinc/29/67/57/393296757.db2.gz QYEOMUNCLPTIPX-ZDUSSCGKSA-N 2 0 296.415 1.091 10 0 CDAERP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C(F)(F)F ZINC000261550120 140345783 /nfs/dbraw/zinc/34/57/83/140345783.db2.gz LHZJQCYFFAIAFV-UKKRHICBSA-N 2 0 266.307 1.420 10 0 CDAERP [NH3+][C@@H](C(=O)NCC[NH2+]C1CCCCCC1)C1CCOCC1 ZINC000261733166 140382358 /nfs/dbraw/zinc/38/23/58/140382358.db2.gz JYMLYJMIQLDTEL-OAHLLOKOSA-N 2 0 297.443 1.169 10 0 CDAERP CN(C)[C@H](CNC1=[NH+]CCCN1)c1ccsc1 ZINC000261740288 140383529 /nfs/dbraw/zinc/38/35/29/140383529.db2.gz ILLMCOJTLJGNGY-LLVKDONJSA-N 2 0 252.387 1.290 10 0 CDAERP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000334935651 140592429 /nfs/dbraw/zinc/59/24/29/140592429.db2.gz NXBFWKLYQYNMKJ-ZIAGYGMSSA-N 2 0 296.459 1.807 10 0 CDAERP COc1c[nH+]ccc1N1CC[NH+](Cc2cccc(N)c2)CC1 ZINC000660452737 413137364 /nfs/dbraw/zinc/13/73/64/413137364.db2.gz BPTFWGDULYTGSJ-UHFFFAOYSA-N 2 0 298.390 1.995 10 0 CDAERP Cc1ccncc1N1CCN(CCO[C@H]2CC2(F)F)CC1 ZINC000660466523 413146793 /nfs/dbraw/zinc/14/67/93/413146793.db2.gz UHLZCMHYCGQQHV-AWEZNQCLSA-N 2 0 297.349 1.936 10 0 CDAERP C[C@H](Cn1cncn1)[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000658041949 413149528 /nfs/dbraw/zinc/14/95/28/413149528.db2.gz MNVUMIZBGAUTRH-OIISXLGYSA-N 2 0 299.422 1.602 10 0 CDAERP C[NH+](C)Cc1cccc(C[NH2+]C2CCN(C(N)=O)CC2)c1 ZINC000345390881 397640704 /nfs/dbraw/zinc/64/07/04/397640704.db2.gz OWAPYBWGVMSUKK-UHFFFAOYSA-N 2 0 290.411 1.381 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N(C)CC[NH+]1CCCC1 ZINC000651192516 397869848 /nfs/dbraw/zinc/86/98/48/397869848.db2.gz QAARREDDTQUOAX-UHFFFAOYSA-N 2 0 298.475 1.702 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CCOC[C@@H]1C ZINC000658110074 413210111 /nfs/dbraw/zinc/21/01/11/413210111.db2.gz ZQDGZCCASCTKOU-SOUVJXGZSA-N 2 0 271.449 1.273 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC1CCC1 ZINC001664036316 1172803876 /nfs/dbraw/zinc/80/38/76/1172803876.db2.gz GTFDGSFBHRYMPP-INIZCTEOSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)OCC[NH+]1CCC(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000178849601 148095345 /nfs/dbraw/zinc/09/53/45/148095345.db2.gz VVEKSQUHSXDJMY-UONOGXRCSA-N 2 0 297.443 1.119 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000262025591 149004125 /nfs/dbraw/zinc/00/41/25/149004125.db2.gz ZQXVSLUHDOOYIB-KCPJHIHWSA-N 2 0 275.396 1.698 10 0 CDAERP C[C@@]1(CN2CCO[C@@H](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000262078231 149011244 /nfs/dbraw/zinc/01/12/44/149011244.db2.gz SUAAGFGWPIVWGZ-DLBZAZTESA-N 2 0 274.408 1.930 10 0 CDAERP C[C@H](C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1)[C@H]([NH3+])c1ccccc1 ZINC000262091791 149013999 /nfs/dbraw/zinc/01/39/99/149013999.db2.gz UNEPCLGLRMGNTK-CFVMTHIKSA-N 2 0 289.423 1.908 10 0 CDAERP CCC[C@](C)([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000262655708 149090856 /nfs/dbraw/zinc/09/08/56/149090856.db2.gz CRSXUDFJRPTCQK-SCRDCRAPSA-N 2 0 255.406 1.445 10 0 CDAERP CN(C(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccccc1 ZINC000314387333 149253883 /nfs/dbraw/zinc/25/38/83/149253883.db2.gz VEGFTXSPTMCFKY-GASCZTMLSA-N 2 0 287.407 1.581 10 0 CDAERP CC1CC[NH+](CCNC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000334883202 150030166 /nfs/dbraw/zinc/03/01/66/150030166.db2.gz ZPDXMGOFHWQJNM-HUUCEWRRSA-N 2 0 294.443 1.112 10 0 CDAERP CN(C(=O)[C@@]1(C)CCC[NH2+]C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000334904563 150057915 /nfs/dbraw/zinc/05/79/15/150057915.db2.gz UWGRBNKOKPCVGN-ZFWWWQNUSA-N 2 0 265.401 1.071 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)CC[NH2+]CCC(F)(F)F ZINC001664324474 1172840671 /nfs/dbraw/zinc/84/06/71/1172840671.db2.gz LMQABAMQXWUDMX-UHFFFAOYSA-N 2 0 283.338 1.329 10 0 CDAERP C[C@H](C(=O)NCCCC[NH+](C)C)[NH+]1CCCCCC1 ZINC000346131659 153062452 /nfs/dbraw/zinc/06/24/52/153062452.db2.gz PHWKJBSXISJLKR-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP Cc1c(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cnn1C ZINC000404426601 413282038 /nfs/dbraw/zinc/28/20/38/413282038.db2.gz LWMDTULPRYUHOI-RISCZKNCSA-N 2 0 250.390 1.678 10 0 CDAERP CC(C)[NH+]1CCC(N(C)C(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000662673145 413290936 /nfs/dbraw/zinc/29/09/36/413290936.db2.gz IUUUQTZUXFQGMH-UHFFFAOYSA-N 2 0 293.455 1.992 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)CC2CC2)[C@H]2CCC[C@@H]21 ZINC000658256574 413317429 /nfs/dbraw/zinc/31/74/29/413317429.db2.gz XHUCOGQSKRRRRI-WCVJEAGWSA-N 2 0 266.429 1.857 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000353759861 156066679 /nfs/dbraw/zinc/06/66/79/156066679.db2.gz OJEIIJCHUWVFDP-HNNXBMFYSA-N 2 0 293.455 1.948 10 0 CDAERP CC1=CC[N@H+](CCNC(=O)NCC[NH+]2CC=CCC2)CC1 ZINC000354260820 156355378 /nfs/dbraw/zinc/35/53/78/156355378.db2.gz LFNAUAGOYSWWRJ-UHFFFAOYSA-N 2 0 292.427 1.200 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2CCC(O)CC2)[C@H]2CCC[C@H]21 ZINC000658281143 413334831 /nfs/dbraw/zinc/33/48/31/413334831.db2.gz BLYXKKJYPMGJTH-MTERUZRBSA-N 2 0 266.429 2.000 10 0 CDAERP C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(C(C)(C)[NH3+])no2)C1 ZINC000662710998 413365073 /nfs/dbraw/zinc/36/50/73/413365073.db2.gz KQYKUQFZADCFLD-SNVBAGLBSA-N 2 0 280.372 1.035 10 0 CDAERP CCOCCC[N@@H+]1CC[C@@H](NC(=O)CC2([NH3+])CC2)[C@H](C)C1 ZINC000662735778 413407629 /nfs/dbraw/zinc/40/76/29/413407629.db2.gz PUPZYRNRCNUSIA-ZIAGYGMSSA-N 2 0 297.443 1.121 10 0 CDAERP COC[C@@H](O)C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000374706060 160309629 /nfs/dbraw/zinc/30/96/29/160309629.db2.gz SXSNIOSICHQYCU-BPUTZDHNSA-N 2 0 284.444 1.626 10 0 CDAERP O=C(N1CCC2(CC[NH2+]CC2)CC1)C1([NH2+]C2CC2)CCC1 ZINC000662771387 413469119 /nfs/dbraw/zinc/46/91/19/413469119.db2.gz GSIIFRUBWDAUEU-UHFFFAOYSA-N 2 0 291.439 1.653 10 0 CDAERP [NH3+]C1(CNC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)CCCCCC1 ZINC000655412978 412190228 /nfs/dbraw/zinc/19/02/28/412190228.db2.gz GCRODFFOYZUVOZ-ZFWWWQNUSA-N 2 0 279.428 1.544 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC1(C[NH3+])CC1 ZINC000653221493 412148174 /nfs/dbraw/zinc/14/81/74/412148174.db2.gz ZEYFRXYDMQYLBQ-TXEJJXNPSA-N 2 0 253.390 1.104 10 0 CDAERP CC(C)([NH3+])c1cc(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)on1 ZINC000662779978 413485758 /nfs/dbraw/zinc/48/57/58/413485758.db2.gz WALJBWWFSKOVMZ-OAHLLOKOSA-N 2 0 292.383 1.084 10 0 CDAERP C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)C1 ZINC000660844118 413556687 /nfs/dbraw/zinc/55/66/87/413556687.db2.gz DYWQPHIWAUDHNS-KBPBESRZSA-N 2 0 296.459 1.500 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC[NH2+]1 ZINC000662837964 413581990 /nfs/dbraw/zinc/58/19/90/413581990.db2.gz LLFMETVMOFBECB-AJNGGQMLSA-N 2 0 279.428 1.508 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000656696856 413575849 /nfs/dbraw/zinc/57/58/49/413575849.db2.gz CZZHTZHNUIBAGM-JYJNAYRXSA-N 2 0 284.444 1.436 10 0 CDAERP C[C@@H]1C[C@H](C[NH2+][C@@H]2Cc3ccccc3N(C)C2=O)CC[NH2+]1 ZINC000656787146 413665123 /nfs/dbraw/zinc/66/51/23/413665123.db2.gz DVVLGIYIBSNCEM-UMVBOHGHSA-N 2 0 287.407 1.552 10 0 CDAERP CC(C)[NH+]1CCN(Cc2ccccc2C(N)=[NH2+])CC1 ZINC000036189964 172501481 /nfs/dbraw/zinc/50/14/81/172501481.db2.gz IBBKHBRIUYPQNB-UHFFFAOYSA-N 2 0 260.385 1.497 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000659292468 413683341 /nfs/dbraw/zinc/68/33/41/413683341.db2.gz PZBLVBRQBPPUHK-MCIONIFRSA-N 2 0 285.432 1.118 10 0 CDAERP C[C@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659347398 413739172 /nfs/dbraw/zinc/73/91/72/413739172.db2.gz DJCVKXSEFFYCRO-SLBVQIDZSA-N 2 0 287.407 1.246 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000659427909 413807231 /nfs/dbraw/zinc/80/72/31/413807231.db2.gz UEYVRRRKVWBNCZ-CQSZACIVSA-N 2 0 298.475 1.924 10 0 CDAERP C[C@H](CCNC(=O)N1CC2CC1(C[NH3+])C2)[NH+]1CCCCC1 ZINC000659480990 413871027 /nfs/dbraw/zinc/87/10/27/413871027.db2.gz JJDLYQXHMQDVBN-VQCLRJIVSA-N 2 0 294.443 1.384 10 0 CDAERP C[NH2+]C[C@@H](C)NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000659456126 413844361 /nfs/dbraw/zinc/84/43/61/413844361.db2.gz HZTYXWKXJMBGAS-LLVKDONJSA-N 2 0 296.390 1.294 10 0 CDAERP CC1CC[NH+](CCCNC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC000407360479 413940005 /nfs/dbraw/zinc/94/00/05/413940005.db2.gz HFMIHPGFZAXICT-JKSUJKDBSA-N 2 0 293.455 1.755 10 0 CDAERP CCC[N@@H+]1CC[C@@H](NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)C1 ZINC000659609697 414014326 /nfs/dbraw/zinc/01/43/26/414014326.db2.gz LBGPZDPDSLWDML-QLFBSQMISA-N 2 0 294.443 1.112 10 0 CDAERP C[C@H]1C[C@H](NCC23CC(C2)C[NH2+]3)C[N@@H+]1Cc1ccccc1 ZINC000665278164 414015780 /nfs/dbraw/zinc/01/57/80/414015780.db2.gz WMWGEXWTWSZBAW-VNCIIQTRSA-N 2 0 285.435 1.991 10 0 CDAERP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCC12CC(C1)C[NH2+]2 ZINC000665279613 414016790 /nfs/dbraw/zinc/01/67/90/414016790.db2.gz HHAXBDNBMDJDSR-IYOFFGIQSA-N 2 0 259.397 1.287 10 0 CDAERP COC[C@H](CC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)OC ZINC000665234322 413956503 /nfs/dbraw/zinc/95/65/03/413956503.db2.gz AWMYVDHGPQXNQW-GLQYFDAESA-N 2 0 264.369 1.772 10 0 CDAERP CS(=O)(=O)CC1(CC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000665235200 413963062 /nfs/dbraw/zinc/96/30/62/413963062.db2.gz RNEUSCIDXALDKS-CHWSQXEVSA-N 2 0 288.457 1.308 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1)C1CC1 ZINC000407431977 413963572 /nfs/dbraw/zinc/96/35/72/413963572.db2.gz POAGERFXEDVLHP-KGLIPLIRSA-N 2 0 265.401 1.118 10 0 CDAERP FC1(F)C[C@@H]1OCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000665244724 413977176 /nfs/dbraw/zinc/97/71/76/413977176.db2.gz VAEOOQDETAWLEW-NDBYEHHHSA-N 2 0 274.355 1.921 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000659619725 414030166 /nfs/dbraw/zinc/03/01/66/414030166.db2.gz SIAVJOKSNUKRRE-CHWSQXEVSA-N 2 0 270.421 1.095 10 0 CDAERP C[C@@H](NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1nccn1C ZINC000659626365 414040362 /nfs/dbraw/zinc/04/03/62/414040362.db2.gz BBKDNGACELGFHG-UTUOFQBUSA-N 2 0 277.372 1.017 10 0 CDAERP CN([C@@H](CC[NH3+])C(F)(F)F)C1CC[NH+](C)CC1 ZINC000037178334 173011998 /nfs/dbraw/zinc/01/19/98/173011998.db2.gz ATUORWCFUOKWMG-JTQLQIEISA-N 2 0 253.312 1.292 10 0 CDAERP CC[C@H](C)[NH2+]CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000037389558 173172708 /nfs/dbraw/zinc/17/27/08/173172708.db2.gz YSSXSOOMQNUSHV-GOEBONIOSA-N 2 0 289.423 1.765 10 0 CDAERP CCCN(CC[NH+]1CCCCC1)C1CC[NH2+]CC1 ZINC000037539293 173260265 /nfs/dbraw/zinc/26/02/65/173260265.db2.gz RARXMXVVSGWPOS-UHFFFAOYSA-N 2 0 253.434 1.936 10 0 CDAERP COCCN1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000663344623 414169861 /nfs/dbraw/zinc/16/98/61/414169861.db2.gz CVAUGSFJWIUEHA-DLBZAZTESA-N 2 0 295.471 1.419 10 0 CDAERP CO[C@H](C)CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657342130 414186092 /nfs/dbraw/zinc/18/60/92/414186092.db2.gz HCGWEBKGTIVMMO-GFCCVEGCSA-N 2 0 260.341 1.782 10 0 CDAERP Cn1ccnc1[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)C1CC1 ZINC000655805381 414197394 /nfs/dbraw/zinc/19/73/94/414197394.db2.gz MVPFYNQYYJOYAT-KWCYVHTRSA-N 2 0 262.401 1.801 10 0 CDAERP C[C@@H](N[C@H]1CCNC1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000663457364 414265647 /nfs/dbraw/zinc/26/56/47/414265647.db2.gz JUHYIWXEBFILGK-KBMXLJTQSA-N 2 0 287.407 1.375 10 0 CDAERP CCC(=O)N1CC[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657400216 414286408 /nfs/dbraw/zinc/28/64/08/414286408.db2.gz GPNXRCILXPVAHD-ZDUSSCGKSA-N 2 0 299.378 1.368 10 0 CDAERP [NH3+]C1(CNCc2nc3c(s2)C[NH2+]CC3)CCCCC1 ZINC000663492830 414287796 /nfs/dbraw/zinc/28/77/96/414287796.db2.gz BXUKCFMMOCDODS-UHFFFAOYSA-N 2 0 280.441 1.540 10 0 CDAERP C[C@H]1CCN(Cc2nc3c(s2)C[NH2+]CC3)C[C@H]1C[NH3+] ZINC000663496506 414291450 /nfs/dbraw/zinc/29/14/50/414291450.db2.gz HGBHOYWICDNEDD-WDEREUQCSA-N 2 0 280.441 1.206 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CNCC12CC(C1)C[NH2+]2 ZINC000663497493 414295814 /nfs/dbraw/zinc/29/58/14/414295814.db2.gz GIHKNLKYGARXIQ-UHFFFAOYSA-N 2 0 283.379 1.417 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](N(C)C(=O)N(C)C)C2)CC[NH2+]1 ZINC000663501490 414302667 /nfs/dbraw/zinc/30/26/67/414302667.db2.gz WMAGYGFZSUETEB-MGPQQGTHSA-N 2 0 282.432 1.062 10 0 CDAERP COCCCCC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662157766 414543579 /nfs/dbraw/zinc/54/35/79/414543579.db2.gz QIOZYDOUCDWWSQ-HNNXBMFYSA-N 2 0 270.417 1.334 10 0 CDAERP CC(C)(C)[C@H](C[NH3+])NCc1cccc2c1CC[NH2+]C2 ZINC000662278095 414609417 /nfs/dbraw/zinc/60/94/17/414609417.db2.gz VPZIOCOLNKIERK-HNNXBMFYSA-N 2 0 261.413 1.795 10 0 CDAERP c1cc2c(cc1C[N@@H+]1CC[C@@H]3COC[C@@H]3C1)C[NH2+]CC2 ZINC000662316242 414635269 /nfs/dbraw/zinc/63/52/69/414635269.db2.gz JJZWNDOBMVZHFZ-WBVHZDCISA-N 2 0 272.392 1.801 10 0 CDAERP C[NH+](C)CCC[C@H]1C[N@H+](CCCCCO)CCO1 ZINC000662320784 414637106 /nfs/dbraw/zinc/63/71/06/414637106.db2.gz DPVVUXKNPITPLD-AWEZNQCLSA-N 2 0 258.406 1.192 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CCCC[NH2+]1)[NH+]1CCCCC1 ZINC000038029424 174020106 /nfs/dbraw/zinc/02/01/06/174020106.db2.gz DUGSFUYPROWZAH-QWHCGFSZSA-N 2 0 253.390 1.119 10 0 CDAERP C[C@@H]1C[C@H]([N@H+](C)CC(=O)N2CC[NH2+]CC2)CC(C)(C)C1 ZINC000038031107 174024518 /nfs/dbraw/zinc/02/45/18/174024518.db2.gz XEPUBJWXVLGINA-KGLIPLIRSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)[NH2+]CC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000038101760 174118042 /nfs/dbraw/zinc/11/80/42/174118042.db2.gz JBOXVVNWEMZPGR-UHFFFAOYSA-N 2 0 253.390 1.071 10 0 CDAERP O=C([C@H]1CCC[N@@H+]1Cc1cccs1)N1CC[NH2+]CC1 ZINC000040508081 174303153 /nfs/dbraw/zinc/30/31/53/174303153.db2.gz WBOVGMZLSHRGBX-CYBMUJFWSA-N 2 0 279.409 1.144 10 0 CDAERP C[C@H]1CC[C@H](C(=O)N2CCC([NH+]3CCCCC3)CC2)C[NH2+]1 ZINC000040694379 174377947 /nfs/dbraw/zinc/37/79/47/174377947.db2.gz QIJSTKNHXYLDSA-GJZGRUSLSA-N 2 0 293.455 1.851 10 0 CDAERP CC[N@H+](Cc1ccccc1C(N)=O)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748265 174393168 /nfs/dbraw/zinc/39/31/68/174393168.db2.gz FZDXCMVGSIVVFO-YIONKMFJSA-N 2 0 287.407 1.890 10 0 CDAERP CCN(CC)C(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750443 174395825 /nfs/dbraw/zinc/39/58/25/174395825.db2.gz PUXMVMNZXMAYNN-WODVXLOZSA-N 2 0 253.390 1.197 10 0 CDAERP COc1ccc(C[NH2+]C2CC2)c(OCC[NH+](C)C)c1 ZINC000040904415 174430172 /nfs/dbraw/zinc/43/01/72/174430172.db2.gz VNTRCZUFLNVJHC-UHFFFAOYSA-N 2 0 264.369 1.888 10 0 CDAERP C[C@@H]([NH3+])[C@@H](N(C)C1CC[NH+](C)CC1)C(F)(F)F ZINC000043376454 175030090 /nfs/dbraw/zinc/03/00/90/175030090.db2.gz PTGMRPYEHUEWIR-PSASIEDQSA-N 2 0 253.312 1.291 10 0 CDAERP CC(C)C[N@H+](CCOCC(F)(F)F)CCC(N)=[NH2+] ZINC000043423000 175039271 /nfs/dbraw/zinc/03/92/71/175039271.db2.gz FZLYQBPEWGGICM-UHFFFAOYSA-N 2 0 269.311 1.849 10 0 CDAERP [NH3+]CCN1CCC[N@H+](CCOc2ccccc2)CC1 ZINC000043458043 175050571 /nfs/dbraw/zinc/05/05/71/175050571.db2.gz QSYMIEFJVKJMRC-UHFFFAOYSA-N 2 0 263.385 1.032 10 0 CDAERP CCC[NH2+][C@H]1CCC[C@H]1N1CC[NH+](C(C)C)CC1 ZINC000043897175 175120146 /nfs/dbraw/zinc/12/01/46/175120146.db2.gz GQVIKENNCNZUBL-LSDHHAIUSA-N 2 0 253.434 1.933 10 0 CDAERP CCC[NH2+][C@@H]1CCOC[C@H]1N1CCC([NH+](C)C)CC1 ZINC000043897577 175120403 /nfs/dbraw/zinc/12/04/03/175120403.db2.gz ZPHURXHMWORJQW-HUUCEWRRSA-N 2 0 269.433 1.170 10 0 CDAERP CCC[NH2+][C@@H]1CCOC[C@H]1N1CCC(C[NH+](C)C)CC1 ZINC000043970819 175131791 /nfs/dbraw/zinc/13/17/91/175131791.db2.gz BKQGGYYXQCMOGQ-HZPDHXFCSA-N 2 0 283.460 1.417 10 0 CDAERP CCC[NH+]1CCN([C@H](c2ccco2)[C@H](C)[NH3+])CC1 ZINC000044419010 175173380 /nfs/dbraw/zinc/17/33/80/175173380.db2.gz FROUEXDJKOCGNS-JSGCOSHPSA-N 2 0 251.374 1.696 10 0 CDAERP CC[NH+]1CCC(C[NH2+]Cc2ccccc2C(N)=O)CC1 ZINC000044518758 175191611 /nfs/dbraw/zinc/19/16/11/175191611.db2.gz BNABSZDXKZTBCB-UHFFFAOYSA-N 2 0 275.396 1.607 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000044526949 175192098 /nfs/dbraw/zinc/19/20/98/175192098.db2.gz YQLBXUYHIDUFFL-GXTWGEPZSA-N 2 0 267.417 1.223 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc(C[NH3+])cc1 ZINC000044565392 175208544 /nfs/dbraw/zinc/20/85/44/175208544.db2.gz RDBPAWKBLOLYSS-CQSZACIVSA-N 2 0 276.384 1.751 10 0 CDAERP CCCNC(=O)CC[NH2+][C@@H](C)[C@H]1CCC[N@H+](CC)C1 ZINC000045072506 175301684 /nfs/dbraw/zinc/30/16/84/175301684.db2.gz UHLIRSWRUXCXMY-KBPBESRZSA-N 2 0 269.433 1.613 10 0 CDAERP CCCC(C[NH3+])(CCC)C(=O)NC[C@@H](C)[NH+](C)C ZINC000045108017 175308772 /nfs/dbraw/zinc/30/87/72/175308772.db2.gz POZHGJCCQAQJTJ-GFCCVEGCSA-N 2 0 257.422 1.598 10 0 CDAERP C[C@@H](CNC(=O)C1(C[NH3+])CCCCCC1)[NH+](C)C ZINC000045108013 175308998 /nfs/dbraw/zinc/30/89/98/175308998.db2.gz ZCWHLMYYDFJMJR-LBPRGKRZSA-N 2 0 255.406 1.352 10 0 CDAERP CC(C)COC[C@H](O)C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000045134776 175312841 /nfs/dbraw/zinc/31/28/41/175312841.db2.gz AELWPOLNLAUCOK-HUUCEWRRSA-N 2 0 272.433 1.340 10 0 CDAERP CC[NH+](CC)CCCC[C@](C)([NH2+]C(C)C)C(N)=O ZINC000045375870 175366666 /nfs/dbraw/zinc/36/66/66/175366666.db2.gz HZILUVDVOLTLRD-AWEZNQCLSA-N 2 0 257.422 1.741 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)c1ccccc1CC[NH3+] ZINC000070552871 175981692 /nfs/dbraw/zinc/98/16/92/175981692.db2.gz PWBCKXDTOZTWBY-CYBMUJFWSA-N 2 0 277.412 1.648 10 0 CDAERP CC(C)[NH2+][C@H]1CCCN(C[C@H](C)C[NH+]2CCCC2)C1=O ZINC000071031252 176022340 /nfs/dbraw/zinc/02/23/40/176022340.db2.gz DBGCVUFTAQXBGC-CABCVRRESA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@@H]1CCC[C@@H]([N@@H+]2CCC[C@@H]2C(=O)N2CC[NH2+]CC2)C1 ZINC000071126317 176035917 /nfs/dbraw/zinc/03/59/17/176035917.db2.gz ODXLQICMUMLZQI-BZUAXINKSA-N 2 0 293.455 1.851 10 0 CDAERP CN(C[C@H]1CC[N@H+](C)C1)[C@@H](C[NH3+])c1ccccc1F ZINC000071188080 176061726 /nfs/dbraw/zinc/06/17/26/176061726.db2.gz VRZMFWIPQIZCIH-WFASDCNBSA-N 2 0 265.376 1.709 10 0 CDAERP Cc1ccc([C@H](C[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)o1 ZINC000071188109 176063132 /nfs/dbraw/zinc/06/31/32/176063132.db2.gz RNWFORHLGYETCX-OLZOCXBDSA-N 2 0 251.374 1.471 10 0 CDAERP CN(Cc1ccc(C(N)=[NH2+])cc1)C[C@H]1CC[N@H+](C)C1 ZINC000071189338 176064523 /nfs/dbraw/zinc/06/45/23/176064523.db2.gz NZEFQYKEVMYOPH-ZDUSSCGKSA-N 2 0 260.385 1.354 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)C[C@@H]2CC[NH+](C)C2)O1 ZINC000071192050 176073135 /nfs/dbraw/zinc/07/31/35/176073135.db2.gz RWIVPVLZVPFTFQ-OWCLPIDISA-N 3 0 283.460 1.417 10 0 CDAERP C[C@@H]1CCC[C@@H](C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)[C@@H]1[NH3+] ZINC000071193275 176075623 /nfs/dbraw/zinc/07/56/23/176075623.db2.gz HTZZBZSDOYZENR-AAVRWANBSA-N 2 0 267.417 1.160 10 0 CDAERP COCC[N@H+](C)CCN1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000071199644 176077192 /nfs/dbraw/zinc/07/71/92/176077192.db2.gz HZNKUWPCRUXDNX-CQSZACIVSA-N 2 0 257.422 1.027 10 0 CDAERP NC(=[NH2+])c1cc(F)ccc1CN1CC[NH+](CC2CC2)CC1 ZINC000071267817 176101145 /nfs/dbraw/zinc/10/11/45/176101145.db2.gz WHWGKYLBOODUTJ-UHFFFAOYSA-N 2 0 290.386 1.637 10 0 CDAERP C[N@H+](CCNC[C@@H]1CCCC[NH+]1C)C1CCCC1 ZINC000071377081 176142186 /nfs/dbraw/zinc/14/21/86/176142186.db2.gz LMZUMXWAOGSKSH-HNNXBMFYSA-N 2 0 253.434 1.935 10 0 CDAERP CC(C)(O)C[NH+]1CCN(C[C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000071381764 176145357 /nfs/dbraw/zinc/14/53/57/176145357.db2.gz MZLNAGDDMNYKBC-GJZGRUSLSA-N 2 0 283.460 1.283 10 0 CDAERP CC(C)C[C@H](CNC(=O)CC[C@H](C)CC[NH3+])[NH+](C)C ZINC000079119419 177437008 /nfs/dbraw/zinc/43/70/08/177437008.db2.gz XLOIRUFUPLVUOC-UONOGXRCSA-N 2 0 271.449 1.844 10 0 CDAERP C(CN1CCC[C@@]2(CC[NH2+]C2)C1)C[NH+]1CCCCC1 ZINC000257654765 270307178 /nfs/dbraw/zinc/30/71/78/270307178.db2.gz FCOLEYFMSCFOJR-INIZCTEOSA-N 2 0 265.445 1.938 10 0 CDAERP CC(C)[NH2+]CC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000518796852 262351357 /nfs/dbraw/zinc/35/13/57/262351357.db2.gz BPTLRHIZMVZERJ-UHFFFAOYSA-N 2 0 255.406 1.221 10 0 CDAERP C[N@@H+](CC(=O)N1CC[NH2+]CC1)C[C@H]1CCCCC1(C)C ZINC000662238607 423769325 /nfs/dbraw/zinc/76/93/25/423769325.db2.gz RYNOXRZRXUAPII-CQSZACIVSA-N 2 0 281.444 1.566 10 0 CDAERP C[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C[C@@H]1CCCCO1 ZINC000662251365 423795097 /nfs/dbraw/zinc/79/50/97/423795097.db2.gz AQNVNNBIVSHIRG-STQMWFEESA-N 2 0 254.374 1.008 10 0 CDAERP C[C@@H]1C[C@H](C)[N@H+](CCO[C@H]2CC2(F)F)C[C@H]1C[NH3+] ZINC000662282639 423882025 /nfs/dbraw/zinc/88/20/25/423882025.db2.gz IHHMIUXMSRLSOE-KXNHARMFSA-N 2 0 262.344 1.716 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000123699815 423938646 /nfs/dbraw/zinc/93/86/46/423938646.db2.gz JHBPEWQUDFSTSM-ZDUSSCGKSA-N 2 0 255.406 1.349 10 0 CDAERP C[C@@H](C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000655246292 424071995 /nfs/dbraw/zinc/07/19/95/424071995.db2.gz GKVXGSNKKHHRKZ-QMIVOQANSA-N 2 0 281.444 1.704 10 0 CDAERP CC[C@@H]1CN(C(=O)NCCC[N@H+](C)CC(C)C)CC[C@H]1[NH3+] ZINC000652224595 424084156 /nfs/dbraw/zinc/08/41/56/424084156.db2.gz CHSFEGBSFPWRPI-HUUCEWRRSA-N 2 0 298.475 1.733 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000652224981 424085266 /nfs/dbraw/zinc/08/52/66/424085266.db2.gz MPGYSYNZQACYEO-KGLIPLIRSA-N 2 0 284.448 1.356 10 0 CDAERP CN(C(=O)[C@H]1CCC[NH2+]CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000653117321 424297888 /nfs/dbraw/zinc/29/78/88/424297888.db2.gz IPAJBISSIDVALY-GXTWGEPZSA-N 2 0 265.401 1.071 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000653117744 424304796 /nfs/dbraw/zinc/30/47/96/424304796.db2.gz VAEKBARWQHCIHA-HNNXBMFYSA-N 2 0 287.407 1.402 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653122876 424313275 /nfs/dbraw/zinc/31/32/75/424313275.db2.gz GPNLURSPXCAHAL-GHMZBOCLSA-N 2 0 295.349 1.232 10 0 CDAERP C[NH+](C)[C@H]1CCCN(C(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662712217 424362282 /nfs/dbraw/zinc/36/22/82/424362282.db2.gz QQRQJLLZRRJMIG-ZDUSSCGKSA-N 2 0 265.401 1.214 10 0 CDAERP CC[NH+](CC)C[C@H]1CCN(C(=O)CC2([NH3+])CC2)C1 ZINC000662746914 424398662 /nfs/dbraw/zinc/39/86/62/424398662.db2.gz OXDFBESATNWIKK-GFCCVEGCSA-N 2 0 253.390 1.058 10 0 CDAERP [NH3+]CC[C@@H]1CCCN(C(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662774785 424437408 /nfs/dbraw/zinc/43/74/08/424437408.db2.gz RNPKVUBQXKGGGL-LBPRGKRZSA-N 2 0 265.401 1.249 10 0 CDAERP [NH3+]CCCN(CC1CCCC1)C(=O)CC1([NH3+])CC1 ZINC000662777499 424440692 /nfs/dbraw/zinc/44/06/92/424440692.db2.gz GAQLBPRDCQANRR-UHFFFAOYSA-N 2 0 253.390 1.235 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC000665274747 424486230 /nfs/dbraw/zinc/48/62/30/424486230.db2.gz XJGQSFVSQGUQHX-XWLWVQCSSA-N 2 0 262.344 1.620 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cnc(C(F)(F)F)nc1 ZINC000665235701 424469870 /nfs/dbraw/zinc/46/98/70/424469870.db2.gz YUHREDSIGFISIJ-YUMQZZPRSA-N 2 0 262.279 1.711 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1c(OC)cccc1OC ZINC000665237580 424470400 /nfs/dbraw/zinc/47/04/00/424470400.db2.gz DVWWWTMUKAYLSR-LBPRGKRZSA-N 2 0 282.384 1.547 10 0 CDAERP CCCn1cc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cn1 ZINC000185878858 270258959 /nfs/dbraw/zinc/25/89/59/270258959.db2.gz MNDYPFXVYRJTIH-OAHLLOKOSA-N 2 0 293.459 1.409 10 0 CDAERP C[C@@H]([NH2+]C[C@]1(C)COc2ccccc2O1)C1C[NH2+]C1 ZINC000530207338 271150699 /nfs/dbraw/zinc/15/06/99/271150699.db2.gz DFXVSZFSXGPEGD-IAQYHMDHSA-N 2 0 262.353 1.414 10 0 CDAERP CC(C)(C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])C(=O)N1CCCC1 ZINC000530220717 271161063 /nfs/dbraw/zinc/16/10/63/271161063.db2.gz CEHNWODTBDZDER-ZIAGYGMSSA-N 2 0 281.444 1.742 10 0 CDAERP COc1ccc(CC[NH2+]C[C@H]2CC[NH2+][C@@H](C)C2)cn1 ZINC000530242835 271178414 /nfs/dbraw/zinc/17/84/14/271178414.db2.gz DPBYUHHIMFGBSS-JSGCOSHPSA-N 2 0 263.385 1.610 10 0 CDAERP C(C[NH2+]C1CCCCCC1)N[C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423282634 275393657 /nfs/dbraw/zinc/39/36/57/275393657.db2.gz CZNMOVDCFFKJAM-IAGOWNOFSA-N 2 0 295.471 1.655 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000334934299 276105938 /nfs/dbraw/zinc/10/59/38/276105938.db2.gz YJNOFIMNNVHOBC-NWDGAFQWSA-N 2 0 267.417 1.350 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246554205 276116078 /nfs/dbraw/zinc/11/60/78/276116078.db2.gz YNMZBHGBHSYJDE-CABCVRRESA-N 2 0 296.459 1.596 10 0 CDAERP CC(C)(C)[NH+]1CCC(NC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000037770549 277151174 /nfs/dbraw/zinc/15/11/74/277151174.db2.gz DPDPQIBAKUYKAI-GFCCVEGCSA-N 2 0 253.390 1.118 10 0 CDAERP CC(C)C(=O)N1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000156005334 277328289 /nfs/dbraw/zinc/32/82/89/277328289.db2.gz MIMXGUBUEIVEOJ-HZPDHXFCSA-N 2 0 293.455 1.850 10 0 CDAERP C[C@@H]([NH2+]CCC[NH3+])[C@@H](c1ccccc1)N1CCOCC1 ZINC000423182703 277618611 /nfs/dbraw/zinc/61/86/11/277618611.db2.gz GWIPIVYQBAYTNV-ZBFHGGJFSA-N 2 0 277.412 1.387 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CCCF ZINC001668320700 1173395964 /nfs/dbraw/zinc/39/59/64/1173395964.db2.gz SOUCLTWMTDMEDD-KBPBESRZSA-N 2 0 287.423 1.705 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)[C@H](C)O1 ZINC000423504591 278024867 /nfs/dbraw/zinc/02/48/67/278024867.db2.gz FXRRIYUNRLBAMS-HRMROMONSA-N 2 0 281.444 1.358 10 0 CDAERP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)[C@@H]1CC1(C)C ZINC000487328204 278257757 /nfs/dbraw/zinc/25/77/57/278257757.db2.gz UUAXWNKRUDYYIH-IHRRRGAJSA-N 2 0 281.444 1.598 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000094648349 279168184 /nfs/dbraw/zinc/16/81/84/279168184.db2.gz JLDZFWWGELCVLD-HZSPNIEDSA-N 2 0 267.417 1.317 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000418202752 279381851 /nfs/dbraw/zinc/38/18/51/279381851.db2.gz UNZWOBYMJJZBGF-AGIUHOORSA-N 2 0 270.421 1.012 10 0 CDAERP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000334747714 280070978 /nfs/dbraw/zinc/07/09/78/280070978.db2.gz JXERUCIHPOPFNQ-KGLIPLIRSA-N 2 0 279.428 1.223 10 0 CDAERP CCCn1cc(C[NH2+]CCCN2CC[NH+](C)CC2)cn1 ZINC000230637682 280116605 /nfs/dbraw/zinc/11/66/05/280116605.db2.gz OXIPBOJGERZCCQ-UHFFFAOYSA-N 2 0 279.432 1.020 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC000522138294 281087712 /nfs/dbraw/zinc/08/77/12/281087712.db2.gz ZPIVJEAMWXVGCD-MJBXVCDLSA-N 2 0 267.417 1.317 10 0 CDAERP CC1(C)CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC[NH2+]1 ZINC000417825924 281202089 /nfs/dbraw/zinc/20/20/89/281202089.db2.gz CTOLUDWJYCVNRE-AVGNSLFASA-N 2 0 265.401 1.118 10 0 CDAERP CC1(C)NC(=O)CC[C@@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000338783782 281384876 /nfs/dbraw/zinc/38/48/76/281384876.db2.gz WIQAUYKZWZQVTJ-AWEZNQCLSA-N 2 0 279.428 1.508 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000150762842 289072605 /nfs/dbraw/zinc/07/26/05/289072605.db2.gz ITVUWWTZBOFDIW-CABCVRRESA-N 2 0 296.459 1.310 10 0 CDAERP C[NH+](C)CC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000171316984 289073955 /nfs/dbraw/zinc/07/39/55/289073955.db2.gz UAJGIPUYMMZTMT-OAHLLOKOSA-N 2 0 281.444 1.663 10 0 CDAERP C[C@H](NC1CC[NH+](C(C)(C)C)CC1)[C@H]1CC[NH2+]C1 ZINC000400344431 289938518 /nfs/dbraw/zinc/93/85/18/289938518.db2.gz GPKNJUSZFMXXQY-STQMWFEESA-N 2 0 253.434 1.837 10 0 CDAERP O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000562809798 293201274 /nfs/dbraw/zinc/20/12/74/293201274.db2.gz KSDGZIHFHYAUBH-QBYUYEEZSA-N 2 0 291.439 1.509 10 0 CDAERP [NH3+]CCCCC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000564450194 293358796 /nfs/dbraw/zinc/35/87/96/293358796.db2.gz QLQHQMOSZNXOQG-CABCVRRESA-N 2 0 293.386 1.598 10 0 CDAERP O=C(C1CC[NH+](C2CC2)CC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000564835852 293427315 /nfs/dbraw/zinc/42/73/15/293427315.db2.gz CLFWRBUDYFFGGB-OAHLLOKOSA-N 2 0 277.412 1.214 10 0 CDAERP [NH3+]CCC1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000565150518 293531821 /nfs/dbraw/zinc/53/18/21/293531821.db2.gz LEWFWYBTUZAFLV-KKUMJFAQSA-N 2 0 279.428 1.495 10 0 CDAERP CC[C@H](C)NC(=O)[C@@H](C)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000570720727 294295833 /nfs/dbraw/zinc/29/58/33/294295833.db2.gz LNERMDDFHMENBO-GUTXKFCHSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000571222398 294391774 /nfs/dbraw/zinc/39/17/74/294391774.db2.gz CTUXNHGEPNYYAP-KGLIPLIRSA-N 2 0 265.401 1.025 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157786561 295272319 /nfs/dbraw/zinc/27/23/19/295272319.db2.gz HJCOAAYWNIEKOO-AAVRWANBSA-N 2 0 265.401 1.104 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000418602377 297105661 /nfs/dbraw/zinc/10/56/61/297105661.db2.gz VNHXSIMFTYTWAN-CBBWQLFWSA-N 2 0 294.443 1.110 10 0 CDAERP C[C@H]([NH3+])c1ccc(C(=O)N2CCC[C@H]2C[NH+](C)C)cc1 ZINC000423747573 299001965 /nfs/dbraw/zinc/00/19/65/299001965.db2.gz SPGDKHNOOPVDDA-WFASDCNBSA-N 2 0 275.396 1.873 10 0 CDAERP CCCCC[NH2+]C[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001669446282 1173551212 /nfs/dbraw/zinc/55/12/12/1173551212.db2.gz CSOGLQNZRMRGFA-ZIAGYGMSSA-N 2 0 269.433 1.613 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN[C@H]1CCCC[NH2+]C1 ZINC000563519270 316322902 /nfs/dbraw/zinc/32/29/02/316322902.db2.gz FPGBSHPKPQPLST-HNNXBMFYSA-N 2 0 285.395 1.807 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000575850764 317024947 /nfs/dbraw/zinc/02/49/47/317024947.db2.gz YBEBMTITLYBTEX-UKRRQHHQSA-N 3 0 285.395 1.793 10 0 CDAERP C[C@@](O)(C[NH2+]Cc1ccc2c[nH+]cn2c1)C(F)(F)F ZINC000577386092 317321096 /nfs/dbraw/zinc/32/10/96/317321096.db2.gz LBFDLBFMZKJKNF-LLVKDONJSA-N 2 0 273.258 1.737 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CC[C@H](CC[NH2+]C/C=C/Cl)C1 ZINC001672909128 1173808015 /nfs/dbraw/zinc/80/80/15/1173808015.db2.gz CENXGKBNRWLUHL-ZRFDWSJLSA-N 2 0 299.846 1.663 10 0 CDAERP CC[N@H+](C)CCCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001673482537 1173860602 /nfs/dbraw/zinc/86/06/02/1173860602.db2.gz CSZYRYSJRKPDAP-CYBMUJFWSA-N 2 0 255.406 1.128 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000578996803 324077624 /nfs/dbraw/zinc/07/76/24/324077624.db2.gz HJJQUSRDIIHEAI-NOZYUVCASA-N 2 0 279.428 1.589 10 0 CDAERP [NH3+]C1(CNC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CCCCCC1 ZINC000580540233 324489637 /nfs/dbraw/zinc/48/96/37/324489637.db2.gz RXCORHQDLJGPPP-KBPBESRZSA-N 2 0 294.443 1.432 10 0 CDAERP CC[NH2+][C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001673923303 1173898409 /nfs/dbraw/zinc/89/84/09/1173898409.db2.gz IMKVZJXBUVGHFV-OLZOCXBDSA-N 2 0 255.406 1.175 10 0 CDAERP CC(C)COC[C@@H](O)C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000582840807 325054069 /nfs/dbraw/zinc/05/40/69/325054069.db2.gz MPNJEFLBTHQPNV-HNNXBMFYSA-N 2 0 277.368 1.457 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000584166994 327054719 /nfs/dbraw/zinc/05/47/19/327054719.db2.gz ZVLQLKMJZUGVKZ-RBSFLKMASA-N 2 0 253.434 1.839 10 0 CDAERP CC1CC(C[NH2+]CCN(C)C(=O)C[NH+]2CCCC2)C1 ZINC001267081458 1159112831 /nfs/dbraw/zinc/11/28/31/1159112831.db2.gz KMGZQFQHJQUTKF-UHFFFAOYSA-N 2 0 267.417 1.176 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H]2C[NH2+]C/C=C/Cl)C1 ZINC001671369558 1159181026 /nfs/dbraw/zinc/18/10/26/1159181026.db2.gz YCFMCVDVTFMETM-IVDJAJHCSA-N 2 0 299.846 1.661 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000250253709 1159237339 /nfs/dbraw/zinc/23/73/39/1159237339.db2.gz IUEAHCAYEAKUAX-WCVJEAGWSA-N 2 0 293.455 1.755 10 0 CDAERP CCCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001698890512 1175979051 /nfs/dbraw/zinc/97/90/51/1175979051.db2.gz GHPQFUVBXTZGEB-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP CN(CC[NH2+]C/C=C\Cl)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001731921302 1159391765 /nfs/dbraw/zinc/39/17/65/1159391765.db2.gz BKGMHOXLNUEBAM-IBSXUBTNSA-N 2 0 287.835 1.661 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CC[NH2+]CC2CC2)C1 ZINC001731946829 1159394558 /nfs/dbraw/zinc/39/45/58/1159394558.db2.gz RMPFVPAWQMBTDI-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)CC[NH2+]Cc1cnccc1C ZINC001731976723 1159495354 /nfs/dbraw/zinc/49/53/54/1159495354.db2.gz MWSQKDXAZYASHV-UHFFFAOYSA-N 2 0 292.427 1.280 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]CC[C@H](C)F ZINC001671373638 1159661322 /nfs/dbraw/zinc/66/13/22/1159661322.db2.gz QNGGFTXVICDVNB-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]C/C=C\Cl)CC1 ZINC001482023651 1159963671 /nfs/dbraw/zinc/96/36/71/1159963671.db2.gz XKVQMTNVWDZGSH-KQKGQASGSA-N 2 0 287.835 1.708 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+]CCCC(F)(F)F)CC1 ZINC000397691798 1160070868 /nfs/dbraw/zinc/07/08/68/1160070868.db2.gz QDXYCRZXQFPJOW-UHFFFAOYSA-N 2 0 254.296 1.375 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000226080341 482395066 /nfs/dbraw/zinc/39/50/66/482395066.db2.gz XFCOOBCHBHNGKF-STQMWFEESA-N 2 0 255.406 1.208 10 0 CDAERP O=C(NCC1CC[NH+](C2CC2)CC1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653160663 482465620 /nfs/dbraw/zinc/46/56/20/482465620.db2.gz QZAJHYOTDCESON-HZPDHXFCSA-N 2 0 291.439 1.508 10 0 CDAERP c1cc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)n(-c2cc[nH+]cc2)n1 ZINC000668705793 482505159 /nfs/dbraw/zinc/50/51/59/482505159.db2.gz NGPRGWNDSQRAIQ-KBPBESRZSA-N 2 0 284.363 1.736 10 0 CDAERP Cc1cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cs1 ZINC000671701422 482515897 /nfs/dbraw/zinc/51/58/97/482515897.db2.gz KMHHLHBSXJQFEE-UHFFFAOYSA-N 2 0 283.441 1.622 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)N[C@H]2CCC[NH2+]CC2)CC1 ZINC000669540711 482625350 /nfs/dbraw/zinc/62/53/50/482625350.db2.gz IHIUSCXLZDLUIW-SLTAFYQDSA-N 2 0 296.459 1.548 10 0 CDAERP C[C@H](CCNC(=O)NC/C=C/C[NH3+])[NH+]1CCCCC1 ZINC000669558384 482681077 /nfs/dbraw/zinc/68/10/77/482681077.db2.gz ZVZGYRXUPAHWJH-ITDFMYJTSA-N 2 0 268.405 1.065 10 0 CDAERP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2C[C@@](C)(O)C2)cc1 ZINC000669574126 482771554 /nfs/dbraw/zinc/77/15/54/482771554.db2.gz NKMSWZQELYBZJJ-FZNQNYSPSA-N 2 0 278.396 1.630 10 0 CDAERP O=C(NC[C@@H]1CCCC[NH2+]1)NC1CC([NH+]2CCCCC2)C1 ZINC000669575261 482779210 /nfs/dbraw/zinc/77/92/10/482779210.db2.gz ZEVXKIQCPSFSFY-NFOMZHRRSA-N 2 0 294.443 1.445 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C1CCC([NH3+])CC1 ZINC000094445028 482786413 /nfs/dbraw/zinc/78/64/13/482786413.db2.gz CMJMYEUHXPNSDZ-XSCHDIRWSA-N 2 0 279.428 1.589 10 0 CDAERP CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](C)C1)[NH+](CC)CC ZINC000673662844 482805032 /nfs/dbraw/zinc/80/50/32/482805032.db2.gz STYDOSRBEREXQF-OLZOCXBDSA-N 2 0 255.406 1.317 10 0 CDAERP COc1cc(C)c(C[NH2+][C@H]2CCC[NH2+]CC2)c(C)n1 ZINC000666856570 482951825 /nfs/dbraw/zinc/95/18/25/482951825.db2.gz QWDZGSMRHOZDOZ-ZDUSSCGKSA-N 2 0 263.385 1.939 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000250487141 483018919 /nfs/dbraw/zinc/01/89/19/483018919.db2.gz FFLDXDDBRQOMBF-HZSPNIEDSA-N 2 0 267.417 1.208 10 0 CDAERP NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000252416961 483108663 /nfs/dbraw/zinc/10/86/63/483108663.db2.gz PMSNJLUEFWDSQZ-HZPDHXFCSA-N 2 0 287.407 1.750 10 0 CDAERP C[C@H]1C[N@H+](C)C[C@H]1Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000674878890 483166362 /nfs/dbraw/zinc/16/63/62/483166362.db2.gz RVJPUUURNOYOBO-SMDDNHRTSA-N 2 0 257.341 1.629 10 0 CDAERP C[NH+](C)CC[C@@H](NC(=O)NC/C=C\C[NH3+])C(C)(C)C ZINC000669487202 483270349 /nfs/dbraw/zinc/27/03/49/483270349.db2.gz OOJFICONUJHQHL-ZHRWSRJISA-N 2 0 270.421 1.167 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000136316988 483389588 /nfs/dbraw/zinc/38/95/88/483389588.db2.gz MWVOSMJMDZSMIA-STQMWFEESA-N 2 0 255.406 1.350 10 0 CDAERP C[NH+](C)CCN1CCC([NH2+][C@@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667777708 483420393 /nfs/dbraw/zinc/42/03/93/483420393.db2.gz GTMWVKBETAXPCP-HOTGVXAUSA-N 2 0 281.444 1.170 10 0 CDAERP CCOC(C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1)OCC ZINC000381356008 1160735592 /nfs/dbraw/zinc/73/55/92/1160735592.db2.gz NLBMJRXOKRYXAF-OLZOCXBDSA-N 2 0 256.390 1.269 10 0 CDAERP C(CNC[C@H]1CC[N@@H+](C2CC2)C1)C[NH+]1CCCC1 ZINC000049332531 518391811 /nfs/dbraw/zinc/39/18/11/518391811.db2.gz LAGVRXAIZIUFKF-CQSZACIVSA-N 2 0 251.418 1.546 10 0 CDAERP CC(C)C[NH2+]CCC[C@H](C)[N@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000052482895 519743558 /nfs/dbraw/zinc/74/35/58/519743558.db2.gz CCSKEPOVPQCNIS-UONOGXRCSA-N 2 0 290.473 1.520 10 0 CDAERP CCC[NH2+]CCC[C@@H](C)[NH+](CCOC)CCOC ZINC000052571455 519912882 /nfs/dbraw/zinc/91/28/82/519912882.db2.gz ZSQSBYRTRWTFCZ-CQSZACIVSA-N 2 0 260.422 1.750 10 0 CDAERP CCC[NH2+][C@@H](C)C1CC[NH+](CCCC(=O)NC)CC1 ZINC000068815715 519984241 /nfs/dbraw/zinc/98/42/41/519984241.db2.gz YRYHGHSJZJORSB-ZDUSSCGKSA-N 2 0 269.433 1.613 10 0 CDAERP CC[NH2+]Cc1cn(CC[N@H+](CC(C)C)C(C)C)nn1 ZINC000052572597 520012096 /nfs/dbraw/zinc/01/20/96/520012096.db2.gz LEVDLCNKOMCODM-UHFFFAOYSA-N 2 0 267.421 1.754 10 0 CDAERP CC[NH2+][C@@H]1CCCC[C@@H]1N1CCC[C@@H]1C[NH+](C)C ZINC000061643598 520116008 /nfs/dbraw/zinc/11/60/08/520116008.db2.gz MKJHFLCFGMGVBF-KFWWJZLASA-N 2 0 253.434 1.933 10 0 CDAERP CC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)CC2CCCC2)C1 ZINC000232129081 1178185132 /nfs/dbraw/zinc/18/51/32/1178185132.db2.gz ZQYHCXRTIRVWOQ-GJZGRUSLSA-N 2 0 254.418 1.859 10 0 CDAERP CCO[C@@H](C[NH3+])CC[N@H+](CCOC)C(CC)CC ZINC000062741161 520307823 /nfs/dbraw/zinc/30/78/23/520307823.db2.gz UNOYLMGWZZGFOZ-CQSZACIVSA-N 2 0 260.422 1.877 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000055139392 520716687 /nfs/dbraw/zinc/71/66/87/520716687.db2.gz YQUDALPOZFSTFC-MCIONIFRSA-N 2 0 269.433 1.741 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@H]1C[C@H]([NH3+])CC[C@@H]1C ZINC000055139764 521655524 /nfs/dbraw/zinc/65/55/24/521655524.db2.gz DYXBWCFINAHVDJ-MJBXVCDLSA-N 2 0 269.433 1.550 10 0 CDAERP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N[C@@H]3CC[NH+](C)[C@@H]3C)C[N@@H+]2C1 ZINC001649350007 1161524703 /nfs/dbraw/zinc/52/47/03/1161524703.db2.gz XMVLNGJFBIGNGJ-NIFZNCRKSA-N 2 0 279.428 1.316 10 0 CDAERP CN(CCC[NH2+]CC1CCC1)C(=O)CC[NH+](C)C ZINC001716565113 1180287198 /nfs/dbraw/zinc/28/71/98/1180287198.db2.gz WLSCDVPCRIDLSL-UHFFFAOYSA-N 2 0 255.406 1.176 10 0 CDAERP CCC[N@@H+]1CC[C@@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001724188147 1181649305 /nfs/dbraw/zinc/64/93/05/1181649305.db2.gz DUDCEBMJWYURID-CQSZACIVSA-N 2 0 255.406 1.317 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CC[C@@H](COCCC[NH+](C)C)O1 ZINC000052672642 519723962 /nfs/dbraw/zinc/72/39/62/519723962.db2.gz CGPZDRTXTVILNE-KBPBESRZSA-N 2 0 258.406 1.500 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)[C@H]2CC[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000055132087 519725022 /nfs/dbraw/zinc/72/50/22/519725022.db2.gz MZPZDHOXSAHSLB-KKUMJFAQSA-N 2 0 281.444 1.550 10 0 CDAERP CC(C)[NH2+]Cc1cn(CC[N@H+](CC2CC2)C(C)C)nn1 ZINC000052345785 519728448 /nfs/dbraw/zinc/72/84/48/519728448.db2.gz MYZKXCTUHOCDNV-UHFFFAOYSA-N 2 0 279.432 1.897 10 0 CDAERP CC(C)[NH2+][C@](C)(CO)CCC[N@@H+]1CCC[C@@H]1CN(C)C ZINC000070335105 519739623 /nfs/dbraw/zinc/73/96/23/519739623.db2.gz MHGFRULOFNQRFO-CVEARBPZSA-N 2 0 285.476 1.542 10 0 CDAERP CC(C)[NH2+][C@](C)(C[C@H](C)N(C)[C@@H]1CCC[N@H+](C)C1)C(N)=O ZINC000068642458 519740182 /nfs/dbraw/zinc/74/01/82/519740182.db2.gz XUFMOIBHZKALJO-SQWLQELKSA-N 2 0 298.475 1.033 10 0 CDAERP CC(C)[NH2+][C@](C)(C[C@H](C)N(C)CC[NH+]1CCCC1)C(N)=O ZINC000068646299 519740265 /nfs/dbraw/zinc/74/02/65/519740265.db2.gz CLSSJSGEOKRODJ-GOEBONIOSA-N 2 0 298.475 1.035 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)CN1CCC[C@@H]1C[NH+](C)C ZINC000061654721 519744383 /nfs/dbraw/zinc/74/43/83/519744383.db2.gz HFLGBZIEKYPPFW-HUUCEWRRSA-N 2 0 255.450 1.894 10 0 CDAERP CC(C)[C@@H](C[NH2+][C@H]1CCCSC1)N1CC[NH+](C)CC1 ZINC000061589014 519795185 /nfs/dbraw/zinc/79/51/85/519795185.db2.gz KLUFWINYXJEMGA-LSDHHAIUSA-N 2 0 285.501 1.744 10 0 CDAERP CCC[NH+]1CCC(C[NH3+])(N2CCC(COC)CC2)CC1 ZINC000070080363 519842095 /nfs/dbraw/zinc/84/20/95/519842095.db2.gz XSXNLILNWDOGQI-UHFFFAOYSA-N 2 0 283.460 1.548 10 0 CDAERP CCC[NH+]1CCN(C(=O)[C@H]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000055146075 519856604 /nfs/dbraw/zinc/85/66/04/519856604.db2.gz SVYWAZVOJJWKKZ-KGLIPLIRSA-N 2 0 267.417 1.306 10 0 CDAERP CCC[NH2+]C[C@H]1CCN(C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000053012348 519936288 /nfs/dbraw/zinc/93/62/88/519936288.db2.gz IRQRRHCUWPKBBA-CABCVRRESA-N 2 0 253.434 1.792 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000061267211 519963174 /nfs/dbraw/zinc/96/31/74/519963174.db2.gz VFDYHKBRAIDLMC-KBPBESRZSA-N 2 0 269.433 1.469 10 0 CDAERP CC[NH2+]Cc1ccc(OCCN2CCC[N@H+](C)CC2)cc1 ZINC000052424250 519999322 /nfs/dbraw/zinc/99/93/22/519999322.db2.gz DOOUUCNTBJADNQ-UHFFFAOYSA-N 2 0 291.439 1.812 10 0 CDAERP CCC[NH2+][C@@H]1CCN([C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000049568549 520025430 /nfs/dbraw/zinc/02/54/30/520025430.db2.gz YISGXZULFHNWNM-RBSFLKMASA-N 2 0 251.418 1.687 10 0 CDAERP CC[NH2+][C@@H]1CCCC[C@@H]1CN1CC[C@H]([NH+](C)C)C1 ZINC000062970179 520117112 /nfs/dbraw/zinc/11/71/12/520117112.db2.gz GAMWFNAGDFQQEG-QLFBSQMISA-N 2 0 253.434 1.791 10 0 CDAERP CC[NH2+][C@@H]1CCC[C@H]1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000062970517 520118061 /nfs/dbraw/zinc/11/80/61/520118061.db2.gz UECJHISIJNXRRE-HRCADAONSA-N 2 0 265.445 1.935 10 0 CDAERP CCO[C@@H](C[NH3+])CC[N@@H+]1CCOc2ccccc2C1 ZINC000063012411 520309765 /nfs/dbraw/zinc/30/97/65/520309765.db2.gz JNCKCMDXTJGSRL-CQSZACIVSA-N 2 0 264.369 1.635 10 0 CDAERP CCO[C@H](C[NH3+])CCN1CC[NH+](C(C)(C)C)CC1 ZINC000062741032 520515854 /nfs/dbraw/zinc/51/58/54/520515854.db2.gz YSUPVKQTHZBVRE-ZDUSSCGKSA-N 2 0 257.422 1.156 10 0 CDAERP CC[NH+](CC)C1CCN(C(=O)C(C)(C)[NH2+]C)CC1 ZINC000061317751 520567558 /nfs/dbraw/zinc/56/75/58/520567558.db2.gz NISLYFVKGALBOU-UHFFFAOYSA-N 2 0 255.406 1.317 10 0 CDAERP CC1CC[NH+](CCNC(=O)C[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000055136681 521009541 /nfs/dbraw/zinc/00/95/41/521009541.db2.gz PSUQJBOFCJSMFV-GJZGRUSLSA-N 2 0 281.444 1.742 10 0 CDAERP CC[N@H+](Cc1cccs1)CC1(O)CC[NH2+]CC1 ZINC000051016319 521407073 /nfs/dbraw/zinc/40/70/73/521407073.db2.gz AHUKCPVTUWXHNJ-UHFFFAOYSA-N 2 0 254.399 1.685 10 0 CDAERP CCC(CC)[N@H+](CCO)Cc1ccnc(C(N)=[NH2+])c1 ZINC000068761557 521552699 /nfs/dbraw/zinc/55/26/99/521552699.db2.gz PVLRIXRKBIYGOC-UHFFFAOYSA-N 2 0 264.373 1.349 10 0 CDAERP CCC(CC)[C@H](CNC(=O)[C@@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000236690507 521616873 /nfs/dbraw/zinc/61/68/73/521616873.db2.gz JCTAWSUWIZVLJB-GJZGRUSLSA-N 2 0 281.444 1.755 10 0 CDAERP C[NH+](C)CCN1CCN(C[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000061652490 521763267 /nfs/dbraw/zinc/76/32/67/521763267.db2.gz CDFLZTRMIWNEEG-IKGGRYGDSA-N 2 0 294.487 1.086 10 0 CDAERP C[NH+](C)Cc1ccc(C(=O)NCC[NH+]2CCCCC2)cn1 ZINC000339266088 521897617 /nfs/dbraw/zinc/89/76/17/521897617.db2.gz UYBVTANBDAZFRP-UHFFFAOYSA-N 2 0 290.411 1.359 10 0 CDAERP C[NH2+]C(C)(C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000061300145 521934570 /nfs/dbraw/zinc/93/45/70/521934570.db2.gz LMFNOKIMBMJMOF-UHFFFAOYSA-N 2 0 289.423 1.765 10 0 CDAERP C[NH2+]CC1(C[NH+]2C[C@H](C)C[C@@H](C)C2)CCOCC1 ZINC000052180584 521970882 /nfs/dbraw/zinc/97/08/82/521970882.db2.gz UIXLYMUFQVAIFW-ZIAGYGMSSA-N 2 0 254.418 1.981 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000055083480 522123663 /nfs/dbraw/zinc/12/36/63/522123663.db2.gz NZJAZDQQRIYHRD-NVXWUHKLSA-N 2 0 275.440 1.973 10 0 CDAERP COC[C@H](C)[N@H+](C)C[C@@H]1CC[C@@H](C[NH2+]CC(C)C)O1 ZINC000052511908 522592535 /nfs/dbraw/zinc/59/25/35/522592535.db2.gz OWTOVNPWNKRGIG-KKUMJFAQSA-N 2 0 272.433 1.746 10 0 CDAERP CN(CC1(C[NH2+]C2CC2)CCOCC1)C1CC[NH+](C)CC1 ZINC000052181042 522593447 /nfs/dbraw/zinc/59/34/47/522593447.db2.gz YNCMOGVJOIDICR-UHFFFAOYSA-N 2 0 295.471 1.561 10 0 CDAERP COCC[N@H+](CCCC[NH2+]C1CC1)[C@@H](C)COC ZINC000052572254 523693819 /nfs/dbraw/zinc/69/38/19/523693819.db2.gz LVOHPSVNGZXUIE-ZDUSSCGKSA-N 2 0 258.406 1.502 10 0 CDAERP CN(C(=O)C1CCC([NH3+])CC1)[C@@H]1CCC[N@H+](C)C1 ZINC000053245670 523789835 /nfs/dbraw/zinc/78/98/35/523789835.db2.gz XLZJNWRSEDXVFQ-WXRRBKDZSA-N 2 0 253.390 1.057 10 0 CDAERP C[N@@H+]1CCCN(CC[NH2+]Cc2cccs2)CC1 ZINC000049591407 523806919 /nfs/dbraw/zinc/80/69/19/523806919.db2.gz BWMIFPNKYNWDIG-UHFFFAOYSA-N 2 0 253.415 1.475 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)C[C@H]2CCCC[NH2+]2)CC1 ZINC000055082467 523949116 /nfs/dbraw/zinc/94/91/16/523949116.db2.gz WAHOUCMZFDCBIA-UONOGXRCSA-N 2 0 267.417 1.461 10 0 CDAERP CC[C@H](C)[NH+]1CCN([C@@H](C[NH3+])C2CCOCC2)CC1 ZINC000055064392 523958547 /nfs/dbraw/zinc/95/85/47/523958547.db2.gz UEWVLSSPUQATSM-ZFWWWQNUSA-N 2 0 269.433 1.156 10 0 CDAERP C[NH+](C)CC1CCN(C(=O)CC2CCC([NH3+])CC2)CC1 ZINC000055134910 524048561 /nfs/dbraw/zinc/04/85/61/524048561.db2.gz VJJXGXZBMPVUMP-UHFFFAOYSA-N 2 0 281.444 1.694 10 0 CDAERP C[C@H]1CC[C@@H](C(=O)N2CCC([NH+](C)C)CC2)C[C@@H]1[NH3+] ZINC000055128188 524330735 /nfs/dbraw/zinc/33/07/35/524330735.db2.gz CHCSRNUFDUAAKA-SCRDCRAPSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@@H](CC[NH+](C)C)NC(=O)[C@H]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC000055140816 524471589 /nfs/dbraw/zinc/47/15/89/524471589.db2.gz FJJBQHVSHIBMGV-VOAKCMCISA-N 2 0 255.406 1.206 10 0 CDAERP C[C@@H](C[NH+]1CCCC1)NC(=O)[C@H]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC000055140677 524590870 /nfs/dbraw/zinc/59/08/70/524590870.db2.gz HCFMNQJSYOVDRE-RFGFWPKPSA-N 2 0 267.417 1.350 10 0 CDAERP C[C@@H]1[C@@H]([NH3+])CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000061656193 525663999 /nfs/dbraw/zinc/66/39/99/525663999.db2.gz JZVAQDONXBSQNZ-CRWXNKLISA-N 2 0 267.417 1.303 10 0 CDAERP c1ncn(CC[NH+]2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000363458119 526615782 /nfs/dbraw/zinc/61/57/82/526615782.db2.gz YDCZNGXUTLZWCQ-UHFFFAOYSA-N 2 0 263.389 1.086 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000055088337 527344227 /nfs/dbraw/zinc/34/42/27/527344227.db2.gz MTUUBJNKEZDQSH-HUUCEWRRSA-N 2 0 279.428 1.591 10 0 CDAERP CCC[NH+]1CCC(C[NH2+]Cc2cnnn2CC)CC1 ZINC000417916068 528188256 /nfs/dbraw/zinc/18/82/56/528188256.db2.gz VKQQLCGBDJFMPM-UHFFFAOYSA-N 2 0 265.405 1.510 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CC1 ZINC000261902375 535144919 /nfs/dbraw/zinc/14/49/19/535144919.db2.gz WKPWMZZEPDDKKS-IYBDPMFKSA-N 2 0 293.455 1.565 10 0 CDAERP CC[NH+](CC)CCNC(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000176130577 535530816 /nfs/dbraw/zinc/53/08/16/535530816.db2.gz JQKMFVDVUNDEAD-AWEZNQCLSA-N 2 0 284.448 1.454 10 0 CDAERP CCOCCNC(=O)C[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000440356743 535613338 /nfs/dbraw/zinc/61/33/38/535613338.db2.gz PQMHZIUXVHDXDS-UHFFFAOYSA-N 2 0 299.459 1.193 10 0 CDAERP CC[NH+](CC)[C@@H](CNC(=O)NCCC[NH3+])c1ccccc1 ZINC000416830680 535657208 /nfs/dbraw/zinc/65/72/08/535657208.db2.gz AJNCHDGEDFXJQX-HNNXBMFYSA-N 2 0 292.427 1.718 10 0 CDAERP CC[C@@H]([NH2+][C@H](CCC[NH3+])COC)c1ccncc1 ZINC000422777139 535808774 /nfs/dbraw/zinc/80/87/74/535808774.db2.gz FKNUNWIOVOROKI-ZIAGYGMSSA-N 2 0 251.374 1.876 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000093677701 535956293 /nfs/dbraw/zinc/95/62/93/535956293.db2.gz NWLMGYAHOBXIPW-JALIKCBVSA-N 2 0 279.428 1.460 10 0 CDAERP C[NH2+][C@H]1CCCN(C(=O)NCc2ccc([C@H](C)[NH3+])cc2)C1 ZINC000418473295 536409990 /nfs/dbraw/zinc/40/99/90/536409990.db2.gz XMBNQJOJQJFOMV-WFASDCNBSA-N 2 0 290.411 1.600 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](C)Oc1ccccc1F ZINC000422793764 536595972 /nfs/dbraw/zinc/59/59/72/536595972.db2.gz SSXBCFJZLSJXOR-QWHCGFSZSA-N 2 0 284.375 1.937 10 0 CDAERP COc1cc(C)nc(C[NH+]2CCC([C@H](C)[NH3+])CC2)c1 ZINC000213978392 536689838 /nfs/dbraw/zinc/68/98/38/536689838.db2.gz BCXSXSJWYJANCA-LBPRGKRZSA-N 2 0 263.385 1.958 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H](C)N1CCC(C)CC1 ZINC000422781467 536850356 /nfs/dbraw/zinc/85/03/56/536850356.db2.gz KSPJQXQRESRKKJ-GJZGRUSLSA-N 2 0 271.449 1.450 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCCn1ccnc1C(C)C ZINC000732307510 575087507 /nfs/dbraw/zinc/08/75/07/575087507.db2.gz IIZUVAZULCCJOE-AWEZNQCLSA-N 2 0 292.427 1.997 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)C1([NH+](C)C)CCC1 ZINC000762972679 576697574 /nfs/dbraw/zinc/69/75/74/576697574.db2.gz HBKXFSFYQWPATJ-ZDUSSCGKSA-N 2 0 267.417 1.461 10 0 CDAERP CC[C@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CC1)[NH+](C)C ZINC001688893459 1175057136 /nfs/dbraw/zinc/05/71/36/1175057136.db2.gz DZZHGWJPVRHBJQ-ZIAGYGMSSA-N 2 0 267.417 1.269 10 0 CDAERP CC[C@H](C)C[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001690014933 1175346390 /nfs/dbraw/zinc/34/63/90/1175346390.db2.gz VDXBMRBIZCTVKG-GJZGRUSLSA-N 2 0 295.471 1.955 10 0 CDAERP C(C[NH2+][C@H]1CC[NH2+]C12CCC2)COCC1CCOCC1 ZINC000925510877 617413829 /nfs/dbraw/zinc/41/38/29/617413829.db2.gz AYLRCADQEURZHX-HNNXBMFYSA-N 2 0 282.428 1.694 10 0 CDAERP CCn1nc(C)c([C@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)n1 ZINC000926116402 617416325 /nfs/dbraw/zinc/41/63/25/617416325.db2.gz ZAMUMTDBRJGBMD-LBPRGKRZSA-N 2 0 279.432 1.989 10 0 CDAERP OCC1(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925527951 617455840 /nfs/dbraw/zinc/45/58/40/617455840.db2.gz BRNQIVLDFKBMPB-KBPBESRZSA-N 2 0 252.402 1.517 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925552136 617500526 /nfs/dbraw/zinc/50/05/26/617500526.db2.gz JMDYVFNYPFODNP-CXTNEJHOSA-N 2 0 265.445 1.965 10 0 CDAERP COC(=O)N1CCC([NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925569875 617518735 /nfs/dbraw/zinc/51/87/35/617518735.db2.gz VIEMNXPSDLEKKI-DGCLKSJQSA-N 2 0 283.416 1.713 10 0 CDAERP Cc1ccc([C@H](O)C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)o1 ZINC000925622808 617568955 /nfs/dbraw/zinc/56/89/55/617568955.db2.gz NADNWXPEJCEILK-RAIGVLPGSA-N 2 0 250.342 1.481 10 0 CDAERP [NH3+]CCC[C@@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1ccccc1 ZINC000925830951 617850825 /nfs/dbraw/zinc/85/08/25/617850825.db2.gz HGHAEYNYIMQCBU-TWMKSMIVSA-N 2 0 290.407 1.860 10 0 CDAERP C[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)[C@@H]1CCCO1 ZINC000925842698 617875041 /nfs/dbraw/zinc/87/50/41/617875041.db2.gz BXXNYULDSPZNGW-CABCVRRESA-N 2 0 269.433 1.219 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC[C@@H]1CC(C)(C)CO1 ZINC000925775413 617665975 /nfs/dbraw/zinc/66/59/75/617665975.db2.gz QEQXHLUPUUGBDH-CRWXNKLISA-N 2 0 270.417 1.534 10 0 CDAERP CCO[C@H]1C[C@@H]([NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000925692412 617700982 /nfs/dbraw/zinc/70/09/82/617700982.db2.gz KDPHTMYCLHSDHS-BJJPWKGXSA-N 2 0 252.402 1.920 10 0 CDAERP C[C@@H]([NH3+])C[C@H](C)[NH2+]CC1CCC(S(C)(=O)=O)CC1 ZINC000925799639 617730493 /nfs/dbraw/zinc/73/04/93/617730493.db2.gz ADSXJLPLWQPFCX-IALDZJHCSA-N 2 0 276.446 1.305 10 0 CDAERP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1cncc(F)c1 ZINC000925808714 617749569 /nfs/dbraw/zinc/74/95/69/617749569.db2.gz DLJWQBPJTBANOD-NSHDSACASA-N 2 0 266.364 1.294 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@@H]2CCC[C@H](C3CC3)C2)CC1 ZINC000925810931 617753837 /nfs/dbraw/zinc/75/38/37/617753837.db2.gz CEGQEHNTQIAKAF-GOEBONIOSA-N 2 0 265.445 1.968 10 0 CDAERP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000925833260 617859134 /nfs/dbraw/zinc/85/91/34/617859134.db2.gz WBYANBNNRGVNCY-QKGCVVFFSA-N 2 0 250.386 1.685 10 0 CDAERP Cn1nc(C(F)(F)F)cc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000925835904 617865150 /nfs/dbraw/zinc/86/51/50/617865150.db2.gz VATCCXRZJYEQAZ-WPRPVWTQSA-N 2 0 276.306 1.656 10 0 CDAERP CC1(C)[C@@H](N[C@@H]2CC[NH2+]C23CCC3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925724474 617909424 /nfs/dbraw/zinc/90/94/24/617909424.db2.gz YRHGOMNCBQTSON-MQYQWHSLSA-N 2 0 263.429 1.637 10 0 CDAERP C[C@H]([NH2+][C@H]1CNOC1)c1cccc(OCC[NH+](C)C)c1 ZINC000925868173 617922854 /nfs/dbraw/zinc/92/28/54/617922854.db2.gz ORTQDJJHFKDCEW-JSGCOSHPSA-N 2 0 279.384 1.181 10 0 CDAERP CC(C)(O)C[N@@H+]1CC[C@H](N[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925725058 617933667 /nfs/dbraw/zinc/93/36/67/617933667.db2.gz QGRKMCGHQOVSJN-RDBSUJKOSA-N 2 0 283.460 1.327 10 0 CDAERP C[C@H]1CCNC[C@H]1[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925883191 617969337 /nfs/dbraw/zinc/96/93/37/617969337.db2.gz XWGFHWLTOQARKN-QMCVQRASSA-N 2 0 273.424 1.633 10 0 CDAERP C[N@H+](C[C@@H]1CCC2(COC2)O1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000930459604 618170084 /nfs/dbraw/zinc/17/00/84/618170084.db2.gz IHJPRBRJHUDQFQ-IXXDHKBRSA-N 2 0 280.412 1.491 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](CCO[C@@H]2CCOC2)C1 ZINC000923415868 618326890 /nfs/dbraw/zinc/32/68/90/618326890.db2.gz RYQKECWLSLMNKT-HIFRSBDPSA-N 2 0 270.417 1.489 10 0 CDAERP CC(C)C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C1CCOCC1 ZINC000902763720 625297643 /nfs/dbraw/zinc/29/76/43/625297643.db2.gz XZXOLCBBXTZBRG-IRXDYDNUSA-N 2 0 298.471 1.874 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CC[NH+]2C(C)(C)C)CC[N@@H+]1C ZINC000896624983 620165149 /nfs/dbraw/zinc/16/51/49/620165149.db2.gz ZQKNBGAIXFRONK-MCIONIFRSA-N 2 0 281.444 1.800 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CCC23CC[NH+](C)CC3)CC[N@@H+]1C ZINC000896657823 620185892 /nfs/dbraw/zinc/18/58/92/620185892.db2.gz QOODGPAUDPQFSK-UONOGXRCSA-N 2 0 279.428 1.413 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCOC[C@@H]1C(C)C ZINC000925240354 620609178 /nfs/dbraw/zinc/60/91/78/620609178.db2.gz JBPDKSPCPQAZCL-BZUAXINKSA-N 2 0 286.460 1.994 10 0 CDAERP CC[NH+](CC)CC[C@H](CO)NC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000897634723 621042325 /nfs/dbraw/zinc/04/23/25/621042325.db2.gz NCGZISBOCVZBHK-KGLIPLIRSA-N 2 0 299.459 1.068 10 0 CDAERP COCC[N@H+](C)CCC[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000924654372 621636137 /nfs/dbraw/zinc/63/61/37/621636137.db2.gz RJJYURJUXMLPNZ-UHFFFAOYSA-N 2 0 284.444 1.892 10 0 CDAERP CCN1CC[NH+](CCCC[NH2+]C2[C@H](C)COC[C@H]2C)CC1 ZINC000924660074 621638912 /nfs/dbraw/zinc/63/89/12/621638912.db2.gz NIOINHOMOXWSDT-HZPDHXFCSA-N 2 0 297.487 1.665 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])N[C@H](C)C2CC2)C1 ZINC000899265297 622128886 /nfs/dbraw/zinc/12/88/86/622128886.db2.gz XFDYSNKJZDVUIM-VXGBXAGGSA-N 2 0 252.406 1.631 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](CNC(=[NH2+])N[C@H](C)C2CC2)C1 ZINC000899269894 622146070 /nfs/dbraw/zinc/14/60/70/622146070.db2.gz FLQOHYMNXFTCDD-OLZOCXBDSA-N 2 0 266.433 1.877 10 0 CDAERP C([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)[C@]12C[C@H]1COC21CCC1 ZINC000902458931 624847444 /nfs/dbraw/zinc/84/74/44/624847444.db2.gz ABWUOADZGDVIDG-YJEUUXNWSA-N 2 0 274.408 1.532 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CCC([NH2+]CC2CC2)CC1 ZINC000903424942 625993914 /nfs/dbraw/zinc/99/39/14/625993914.db2.gz MPVYYFHNZYAPHN-OCCSQVGLSA-N 3 0 251.418 1.306 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C[C@@H]2C[NH2+]C[C@H]2C)C[C@H]1C ZINC000903443630 625997356 /nfs/dbraw/zinc/99/73/56/625997356.db2.gz FWUGFJDLTFFOSV-KBXIAJHMSA-N 2 0 253.434 1.647 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CC[C@H]([NH3+])C2)C[C@H]1C ZINC000903444601 625997885 /nfs/dbraw/zinc/99/78/85/625997885.db2.gz SHNYFNOTQCOOOM-KBXIAJHMSA-N 3 0 253.434 1.918 10 0 CDAERP CN(C)C(=O)CC1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903457428 626002740 /nfs/dbraw/zinc/00/27/40/626002740.db2.gz SCYJCTQGIVIUQI-KGLIPLIRSA-N 2 0 267.417 1.304 10 0 CDAERP CCOC(=O)CCCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903471552 626003927 /nfs/dbraw/zinc/00/39/27/626003927.db2.gz UARNUWXDTYWNTA-GFCCVEGCSA-N 2 0 254.374 1.594 10 0 CDAERP C[C@@H]1CN(C[C@H]2CCC[NH2+]2)CCN1c1cc[nH+]cc1 ZINC000903482461 626006705 /nfs/dbraw/zinc/00/67/05/626006705.db2.gz ILNBSLVRHPXFOG-ZIAGYGMSSA-N 2 0 260.385 1.344 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C[C@H]1CC(C)(C)CO1)C2 ZINC000903494691 626011452 /nfs/dbraw/zinc/01/14/52/626011452.db2.gz KWGJLCNLNBWOGN-VLXAULBPSA-N 2 0 296.411 1.014 10 0 CDAERP C[C@@]1(C2CC[NH+](CCCCCC[NH3+])CC2)COC(=O)N1 ZINC000903564244 626020967 /nfs/dbraw/zinc/02/09/67/626020967.db2.gz RSWOJJGVBKFVJK-HNNXBMFYSA-N 2 0 283.416 1.716 10 0 CDAERP C([NH2+]C1CCN(C[C@H]2CCCC[NH2+]C2)CC1)C1CC1 ZINC000903717557 626062005 /nfs/dbraw/zinc/06/20/05/626062005.db2.gz RQRKQYRJYIZFBC-HNNXBMFYSA-N 2 0 265.445 1.840 10 0 CDAERP C([C@@H]1CCCC[N@@H+]1C[C@H]1CCCC[NH2+]C1)N1CCOCC1 ZINC000903735464 626076119 /nfs/dbraw/zinc/07/61/19/626076119.db2.gz AJCLBFIMOAVFLI-IRXDYDNUSA-N 2 0 295.471 1.563 10 0 CDAERP C(N[C@H]1CC[NH2+]C12CCCC2)[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903784466 626093335 /nfs/dbraw/zinc/09/33/35/626093335.db2.gz PUFROXHFFBPVAC-KKUMJFAQSA-N 2 0 279.428 1.019 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCC[C@@H](C)[C@@H]2C)cnn1C ZINC000903889779 626124133 /nfs/dbraw/zinc/12/41/33/626124133.db2.gz VFIRJFOLADECIL-VNHYZAJKSA-N 2 0 278.444 1.966 10 0 CDAERP c1nnn([C@H]2CCC[NH2+]C2)c1C[NH+]1CCCCCCC1 ZINC000903873199 626127382 /nfs/dbraw/zinc/12/73/82/626127382.db2.gz MMHKGPXAPRBUOC-AWEZNQCLSA-N 2 0 277.416 1.969 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCCC(C)(C)C2)cnn1C ZINC000903886456 626133554 /nfs/dbraw/zinc/13/35/54/626133554.db2.gz STEBILMKQHTQTE-AWEZNQCLSA-N 2 0 278.444 1.968 10 0 CDAERP COC(=O)C[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCOCC1 ZINC000903897699 626136910 /nfs/dbraw/zinc/13/69/10/626136910.db2.gz IRIAQPVODKFUPR-AGUYFDCRSA-N 2 0 296.411 1.171 10 0 CDAERP CO[C@@H]1CC[C@H]2OCC[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@@H]2C1 ZINC000903898441 626137551 /nfs/dbraw/zinc/13/75/51/626137551.db2.gz MANXUMPHXVFIBY-SUIOOVAZSA-N 2 0 294.439 1.785 10 0 CDAERP CSCCC[N@H+](C)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903904435 626140004 /nfs/dbraw/zinc/14/00/04/626140004.db2.gz VHCZOFDCBONUSL-ZDUSSCGKSA-N 2 0 284.473 1.531 10 0 CDAERP OCC1([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCCC1 ZINC000903905222 626140819 /nfs/dbraw/zinc/14/08/19/626140819.db2.gz BDIMWFJAZGYTOH-AGUYFDCRSA-N 2 0 252.402 1.802 10 0 CDAERP C[C@H]1CC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CCS1 ZINC000903912942 626145357 /nfs/dbraw/zinc/14/53/57/626145357.db2.gz KOAPHOJUWBKFTQ-QWHCGFSZSA-N 2 0 295.456 1.530 10 0 CDAERP COc1cc(C)c(C[NH2+]CCC(C)(C)[NH3+])c(C)n1 ZINC000903938472 626156389 /nfs/dbraw/zinc/15/63/89/626156389.db2.gz CTEGEAULOKHNLD-UHFFFAOYSA-N 2 0 251.374 1.924 10 0 CDAERP COC1(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)CCCC1 ZINC000903957412 626158187 /nfs/dbraw/zinc/15/81/87/626158187.db2.gz QMVMEGUTWZCYSE-NSHDSACASA-N 2 0 262.344 1.780 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000903964706 626171474 /nfs/dbraw/zinc/17/14/74/626171474.db2.gz UBAVMRLROFHDEP-MUIFIZLQSA-N 2 0 273.424 1.704 10 0 CDAERP c1cn(C2CC2)c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)n1 ZINC000904350922 626262464 /nfs/dbraw/zinc/26/24/64/626262464.db2.gz RCLHOCRIVVZXFA-UHFFFAOYSA-N 2 0 260.385 1.794 10 0 CDAERP c1nc(C2CC2)c(CN2CC[NH2+]CC[NH2+]CC2)s1 ZINC000904396751 626273786 /nfs/dbraw/zinc/27/37/86/626273786.db2.gz PGBJUNKTXZWFMF-UHFFFAOYSA-N 2 0 266.414 1.015 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CC2C[NH+](C)C2)C1 ZINC000912453441 630023145 /nfs/dbraw/zinc/02/31/45/630023145.db2.gz DBUCHHXZRSKCLO-CQSZACIVSA-N 2 0 267.417 1.128 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)CC[N@@H+]1C ZINC000913886292 630863601 /nfs/dbraw/zinc/86/36/01/630863601.db2.gz YEBYRCKQKYACOZ-KGLIPLIRSA-N 2 0 296.459 1.643 10 0 CDAERP Cc1nc(C)c(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)[nH]1 ZINC000929781281 630947422 /nfs/dbraw/zinc/94/74/22/630947422.db2.gz IFXATRNISOTAKK-ZWNOBZJWSA-N 2 0 250.390 1.941 10 0 CDAERP C[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000914074205 631008713 /nfs/dbraw/zinc/00/87/13/631008713.db2.gz AGBDUIBEBMPWFP-APIJFGDWSA-N 2 0 296.459 1.499 10 0 CDAERP CC[N@@H+]1CC[C@H](CN[C@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925478638 632734766 /nfs/dbraw/zinc/73/47/66/632734766.db2.gz VUJZQDYKVMGALU-RDBSUJKOSA-N 2 0 253.434 1.824 10 0 CDAERP CC[NH2+]C[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001266826658 1158870814 /nfs/dbraw/zinc/87/08/14/1158870814.db2.gz VIJZLWDMCMQVEA-CYBMUJFWSA-N 2 0 255.406 1.175 10 0 CDAERP CCCCCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001691171564 1158943781 /nfs/dbraw/zinc/94/37/81/1158943781.db2.gz WMBSGJCENWQNMG-JKSUJKDBSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000468086179 1164338477 /nfs/dbraw/zinc/33/84/77/1164338477.db2.gz FKBYHGKALRUDLV-VGWMRTNUSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])CC[N@@H+]1C ZINC000872285755 1165411217 /nfs/dbraw/zinc/41/12/17/1165411217.db2.gz GEKTWEDUZFKWJV-BARDWOONSA-N 2 0 281.444 1.835 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)[C@@H](C)CC[NH+](C)C ZINC001631825735 1166306092 /nfs/dbraw/zinc/30/60/92/1166306092.db2.gz IZDITLWKISGEHP-STQMWFEESA-N 2 0 257.422 1.277 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)[C@@H](C)CC[NH+](C)C ZINC001644417105 1167314181 /nfs/dbraw/zinc/31/41/81/1167314181.db2.gz ZHXPSWFAOYMHIC-AWEZNQCLSA-N 2 0 271.449 1.668 10 0 CDAERP C[N@@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC001645240068 1167381180 /nfs/dbraw/zinc/38/11/80/1167381180.db2.gz DAIKJNOPMSYSHA-ZDUSSCGKSA-N 2 0 267.417 1.175 10 0 CDAERP C[C@H]1CC[C@H](NC(=O)N2CC[NH+](C(C)(C)C)CC2)C[NH2+]1 ZINC001647321493 1168557069 /nfs/dbraw/zinc/55/70/69/1168557069.db2.gz SWFDVUGNGDXFPO-STQMWFEESA-N 2 0 282.432 1.253 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]CC2CCC2)CC[N@@H+]1C ZINC001567498507 1168814113 /nfs/dbraw/zinc/81/41/13/1168814113.db2.gz KLKNZXWVNGNLII-LSDHHAIUSA-N 2 0 281.444 1.565 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001567899555 1169049027 /nfs/dbraw/zinc/04/90/27/1169049027.db2.gz ZWZFQMQHSCSWIJ-FZZYSBJUSA-N 2 0 293.455 1.875 10 0 CDAERP CCOCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001568140834 1169147094 /nfs/dbraw/zinc/14/70/94/1169147094.db2.gz JEGNPFDWTMZLIZ-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CCCCC[NH2+]CCN(CC)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001568743919 1169458665 /nfs/dbraw/zinc/45/86/65/1169458665.db2.gz UTENZYRFYOAZHN-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CCC(C)([NH2+]CCF)CC1 ZINC001570385121 1170148312 /nfs/dbraw/zinc/14/83/12/1170148312.db2.gz ZMIHBGAKHHTKEX-UHFFFAOYSA-N 2 0 287.423 1.659 10 0 CDAERP CC[NH2+]CCC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001666240823 1173120292 /nfs/dbraw/zinc/12/02/92/1173120292.db2.gz TWZVHQVZPCCSJG-UHFFFAOYSA-N 2 0 255.406 1.176 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001667054629 1173227836 /nfs/dbraw/zinc/22/78/36/1173227836.db2.gz QYVDUFWFEMEKBS-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP CC(C)C[C@H](C[NH2+]CCF)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001667117922 1173236847 /nfs/dbraw/zinc/23/68/47/1173236847.db2.gz GYXVAOZZOWFLNF-CHWSQXEVSA-N 2 0 273.396 1.028 10 0 CDAERP C[C@@H]([NH2+]CCCF)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001667351613 1173258074 /nfs/dbraw/zinc/25/80/74/1173258074.db2.gz FZFSASJFEGVLOF-CABCVRRESA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001668112811 1173370885 /nfs/dbraw/zinc/37/08/85/1173370885.db2.gz MGYFARQZDFWUMZ-ZIAGYGMSSA-N 2 0 269.433 1.611 10 0 CDAERP CC[C@@H](F)C[NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001668973103 1173486140 /nfs/dbraw/zinc/48/61/40/1173486140.db2.gz KLHHPYZDFAHKHI-VBROQKIQSA-N 2 0 299.434 1.871 10 0 CDAERP C[NH+]1CCC(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000091359410 1174268200 /nfs/dbraw/zinc/26/82/00/1174268200.db2.gz DYZVRZNWRXJNQI-QEJZJMRPSA-N 2 0 279.428 1.508 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001690477192 1175479689 /nfs/dbraw/zinc/47/96/89/1175479689.db2.gz CSFWNSOSCOMXNC-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001698573777 1175851198 /nfs/dbraw/zinc/85/11/98/1175851198.db2.gz CZQKVUAKUQKZEF-XFCCUVRLSA-N 2 0 293.455 1.827 10 0 CDAERP CCCCC[NH2+][C@H](CC)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001698624713 1175877303 /nfs/dbraw/zinc/87/73/03/1175877303.db2.gz FNVYIIXCBHZNOH-ZIAGYGMSSA-N 2 0 269.433 1.613 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)C[NH2+]CCF)C1 ZINC001698760536 1175922016 /nfs/dbraw/zinc/92/20/16/1175922016.db2.gz LCMXXFFMTQWLHN-KBPBESRZSA-N 2 0 287.423 1.420 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(CC)CC[NH2+]CC(C)C ZINC001699185570 1176131426 /nfs/dbraw/zinc/13/14/26/1176131426.db2.gz VRFHSKRXESUZOU-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CCCC1 ZINC001699793943 1176624274 /nfs/dbraw/zinc/62/42/74/1176624274.db2.gz WTCULZTYCVQBJT-KGLIPLIRSA-N 2 0 267.417 1.365 10 0 CDAERP CCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001699955449 1176696621 /nfs/dbraw/zinc/69/66/21/1176696621.db2.gz ZNFUOUQSNDQYDB-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]C/C=C\Cl ZINC001700415571 1176915912 /nfs/dbraw/zinc/91/59/12/1176915912.db2.gz ABTFAVCBYHOLQI-OJTYSEKASA-N 2 0 261.797 1.173 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001700635308 1177046548 /nfs/dbraw/zinc/04/65/48/1177046548.db2.gz YRXAYTHFPHHRCJ-SHTZXODSSA-N 2 0 293.455 1.921 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CCCF)C1)[NH+](C)C ZINC001700644233 1177053815 /nfs/dbraw/zinc/05/38/15/1177053815.db2.gz STRAGGQJVGIDRI-MGPQQGTHSA-N 2 0 287.423 1.417 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC2CC2)C[C@H]1C ZINC001700853912 1177167008 /nfs/dbraw/zinc/16/70/08/1177167008.db2.gz OEPHDUJGELDYEJ-TZMCWYRMSA-N 2 0 267.417 1.316 10 0 CDAERP CCC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C ZINC001700885079 1177177676 /nfs/dbraw/zinc/17/76/76/1177177676.db2.gz LQURKWSEWPHTKS-KGLIPLIRSA-N 2 0 269.433 1.706 10 0 CDAERP CCCC[NH2+]C[C@@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001700941771 1177203211 /nfs/dbraw/zinc/20/32/11/1177203211.db2.gz ZZTWHGVEUYJMAB-CABCVRRESA-N 2 0 293.455 1.757 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CCC[C@H]1C[NH2+]C/C=C\Cl ZINC001723975598 1178136824 /nfs/dbraw/zinc/13/68/24/1178136824.db2.gz CMBGPWDPEJNTGH-AGLBCWCQSA-N 2 0 285.819 1.415 10 0 CDAERP CC[NH2+][C@@H]1CCC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001713383127 1178529749 /nfs/dbraw/zinc/52/97/49/1178529749.db2.gz WDNKIFYOJRBHMB-KGLIPLIRSA-N 2 0 269.433 1.755 10 0 CDAERP CCCC[NH2+]CCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001713643262 1178693764 /nfs/dbraw/zinc/69/37/64/1178693764.db2.gz FYZDVKIDJDKHIJ-HUUCEWRRSA-N 2 0 281.444 1.851 10 0 CDAERP CN(CC[NH2+]CCCC1CCCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001713664368 1178701566 /nfs/dbraw/zinc/70/15/66/1178701566.db2.gz PRTFBONCEYFYTF-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP COCC[NH2+][C@@H](C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001713680630 1178708027 /nfs/dbraw/zinc/70/80/27/1178708027.db2.gz PLUASTGPADJETF-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001713910504 1178835907 /nfs/dbraw/zinc/83/59/07/1178835907.db2.gz GMAQAQPBMDPECV-GASCZTMLSA-N 2 0 279.428 1.580 10 0 CDAERP CC(C)=CC[NH2+]C[C@@](C)(NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001714175917 1179004396 /nfs/dbraw/zinc/00/43/96/1179004396.db2.gz CJNQIQCVYNLKLM-WMLDXEAASA-N 2 0 293.455 1.779 10 0 CDAERP CCCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001714237311 1179038791 /nfs/dbraw/zinc/03/87/91/1179038791.db2.gz YERDENDCRFOCRB-UONOGXRCSA-N 2 0 269.433 1.754 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001714308541 1179079086 /nfs/dbraw/zinc/07/90/86/1179079086.db2.gz GFVOAEVWACBCJH-CHWSQXEVSA-N 2 0 257.422 1.467 10 0 CDAERP CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001714387058 1179117242 /nfs/dbraw/zinc/11/72/42/1179117242.db2.gz ZTQZUQNYNVZMLG-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)OCC[NH2+]C[C@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001714746701 1179372551 /nfs/dbraw/zinc/37/25/51/1179372551.db2.gz LOOWBECFEGMITC-AWEZNQCLSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]Cc2cncs2)C1 ZINC001714754325 1179378742 /nfs/dbraw/zinc/37/87/42/1179378742.db2.gz FLRAJJRJHBAMGL-LBPRGKRZSA-N 2 0 296.440 1.033 10 0 CDAERP CN(CC[NH2+]CC1CC(C)(C)C1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001714794967 1179401395 /nfs/dbraw/zinc/40/13/95/1179401395.db2.gz MACFSVVWYGTIHA-CQSZACIVSA-N 2 0 281.444 1.422 10 0 CDAERP CCOCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001714876578 1179433586 /nfs/dbraw/zinc/43/35/86/1179433586.db2.gz AMFUUKYHLLNCPS-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CCCOC)CC[N@@H+]1C ZINC001715334366 1179629988 /nfs/dbraw/zinc/62/99/88/1179629988.db2.gz XEWJMXWCNCGBTF-SOUVJXGZSA-N 2 0 299.459 1.190 10 0 CDAERP COCCCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001715337032 1179631709 /nfs/dbraw/zinc/63/17/09/1179631709.db2.gz BKQSBRWDCLIMKM-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@H](CC[NH2+]C/C=C/Cl)NC(=O)C1CC[NH+](C)CC1 ZINC001715679501 1179762742 /nfs/dbraw/zinc/76/27/42/1179762742.db2.gz OCQDCRSOYSRDIJ-QDBLGGKGSA-N 2 0 287.835 1.565 10 0 CDAERP CCN(CC[NH2+]CC(C)C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001715756754 1179792993 /nfs/dbraw/zinc/79/29/93/1179792993.db2.gz IITVIYKTKNJREV-CQSZACIVSA-N 2 0 269.433 1.422 10 0 CDAERP CC(C)=CC[NH2+]C/C=C/CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001715814974 1179840345 /nfs/dbraw/zinc/84/03/45/1179840345.db2.gz CSWQCHHISQYBDM-QDLOVBKTSA-N 2 0 291.439 1.556 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001715943814 1179933760 /nfs/dbraw/zinc/93/37/60/1179933760.db2.gz BETPASYSZZWNLO-VXGBXAGGSA-N 2 0 273.396 1.171 10 0 CDAERP Cc1cc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)on1 ZINC001716125616 1180059628 /nfs/dbraw/zinc/05/96/28/1180059628.db2.gz CYFLXKGGYOKNRX-FZMZJTMJSA-N 2 0 294.399 1.062 10 0 CDAERP C[C@H](CC[NH2+]CCC(C)(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001716197419 1180093521 /nfs/dbraw/zinc/09/35/21/1180093521.db2.gz ZZBXBRDHABPUTN-KGLIPLIRSA-N 2 0 283.460 1.859 10 0 CDAERP CCN(CC[NH2+]C/C=C\Cl)C(=O)C12CCC[NH+]1CCC2 ZINC001716227281 1180110048 /nfs/dbraw/zinc/11/00/48/1180110048.db2.gz MNSKBQPVNMQENR-YVMONPNESA-N 2 0 299.846 1.805 10 0 CDAERP CCCC[NH2+]C[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001716412351 1180193777 /nfs/dbraw/zinc/19/37/77/1180193777.db2.gz FCGZLKVTGHYEIH-QWHCGFSZSA-N 2 0 255.406 1.223 10 0 CDAERP CC(C)OCC[NH2+]CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001716564736 1180285862 /nfs/dbraw/zinc/28/58/62/1180285862.db2.gz HPBZLCKPSOANCL-UHFFFAOYSA-N 2 0 299.459 1.191 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H](CC[NH2+]CC3CC3)C2)C1 ZINC001717106454 1180533151 /nfs/dbraw/zinc/53/31/51/1180533151.db2.gz PBOSNMSEAUWUMZ-HZPDHXFCSA-N 2 0 293.455 1.566 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CCCF)C1 ZINC001717291399 1180606639 /nfs/dbraw/zinc/60/66/39/1180606639.db2.gz WYQHHJVQHZWPLI-QWHCGFSZSA-N 2 0 273.396 1.124 10 0 CDAERP CCCCC[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001717497984 1180713725 /nfs/dbraw/zinc/71/37/25/1180713725.db2.gz KJEDYZCGRCLMTB-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP CCC[N@@H+]1CC[C@@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001723484392 1181576089 /nfs/dbraw/zinc/57/60/89/1181576089.db2.gz NPMXGQLOKGLGGU-OAHLLOKOSA-N 2 0 281.444 1.853 10 0 CDAERP CC(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001723890218 1181619930 /nfs/dbraw/zinc/61/99/30/1181619930.db2.gz ZQGHTUSDPBFZSV-GJZGRUSLSA-N 2 0 281.444 1.707 10 0 CDAERP COCCCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001724996690 1181818811 /nfs/dbraw/zinc/81/88/11/1181818811.db2.gz MCSWRTYHLBGVLF-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP CCC[N@H+](C)CCOCCNC(=O)C12CCC[NH+]1CCC2 ZINC001725437286 1181999215 /nfs/dbraw/zinc/99/92/15/1181999215.db2.gz XGRGAPKXNCWNTL-UHFFFAOYSA-N 2 0 297.443 1.089 10 0 CDAERP COCCC[NH2+][C@H](C)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001725496857 1182024889 /nfs/dbraw/zinc/02/48/89/1182024889.db2.gz URWHPQAPVSNURS-CQSZACIVSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@H](NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2)[C@H]1CCC[NH2+]C1 ZINC000261986841 1182203976 /nfs/dbraw/zinc/20/39/76/1182203976.db2.gz KKWNWIYTXLNRSZ-RZLSGREXSA-N 2 0 279.428 1.271 10 0 CDAERP CCCC[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001731250580 1182276732 /nfs/dbraw/zinc/27/67/32/1182276732.db2.gz MDADVXHJZYQFSB-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP CC(C)=CC[NH+](C)CCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001731265597 1182284230 /nfs/dbraw/zinc/28/42/30/1182284230.db2.gz JLWPKHAICAAZAV-OAHLLOKOSA-N 2 0 281.444 1.733 10 0 CDAERP CCCCOCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001731443079 1182389000 /nfs/dbraw/zinc/38/90/00/1182389000.db2.gz ZCDVUVPXTQITSW-KKUMJFAQSA-N 2 0 297.443 1.134 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](C[NH2+]CCCF)C2)C1 ZINC001731530259 1182436839 /nfs/dbraw/zinc/43/68/39/1182436839.db2.gz OMULTGSZVWNPSW-KBPBESRZSA-N 2 0 285.407 1.126 10 0 CDAERP CC/C=C\CC[NH+]1CC(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001732139871 1182797936 /nfs/dbraw/zinc/79/79/36/1182797936.db2.gz PCATWYFBBFGXTC-SREVYHEPSA-N 2 0 281.444 1.731 10 0 CDAERP CC(C)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001732753772 1183109852 /nfs/dbraw/zinc/10/98/52/1183109852.db2.gz OGSDTMPCBOTVTF-QWHCGFSZSA-N 2 0 255.406 1.079 10 0 CDAERP CCN(CC[NH2+]C/C=C\Cl)C(=O)C1([NH+](C)C)CCC1 ZINC001732779101 1183122440 /nfs/dbraw/zinc/12/24/40/1183122440.db2.gz JSGVGMUBWSMEOS-TWGQIWQCSA-N 2 0 287.835 1.661 10 0 CDAERP Cc1c(C(=O)NC/C=C/C[NH2+]CCF)ccc2c[nH+]cn21 ZINC001732870942 1183166076 /nfs/dbraw/zinc/16/60/76/1183166076.db2.gz PXOGQRFNDDEJQU-NSCUHMNNSA-N 2 0 290.342 1.488 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]CCF)CC1 ZINC001732975853 1183214312 /nfs/dbraw/zinc/21/43/12/1183214312.db2.gz ADATUTFILRVLSD-GFCCVEGCSA-N 2 0 273.396 1.171 10 0 CDAERP CC(C)[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001733013516 1183237559 /nfs/dbraw/zinc/23/75/59/1183237559.db2.gz OSTUUFCGMNUFPH-KBPBESRZSA-N 2 0 269.433 1.752 10 0 CDAERP C[C@@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001733022964 1183242366 /nfs/dbraw/zinc/24/23/66/1183242366.db2.gz QGWWCUMRLLLTSV-STQMWFEESA-N 2 0 269.433 1.469 10 0 CDAERP CC(C)C[NH2+]CCCN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001733144595 1183306246 /nfs/dbraw/zinc/30/62/46/1183306246.db2.gz VSDWAPPXCXZHDB-OAHLLOKOSA-N 2 0 299.459 1.049 10 0 CDAERP CC(C)CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001733445672 1183435442 /nfs/dbraw/zinc/43/54/42/1183435442.db2.gz QTLHXTNDOXAZHR-RDJZCZTQSA-N 2 0 295.471 1.812 10 0 CDAERP CCCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001733541674 1183459340 /nfs/dbraw/zinc/45/93/40/1183459340.db2.gz ZOKMNYGCJNMSCN-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CCC2CC2)C1 ZINC001733643477 1183487399 /nfs/dbraw/zinc/48/73/99/1183487399.db2.gz WQXPHXLZQYZMKO-CVEARBPZSA-N 2 0 293.455 1.709 10 0 CDAERP COCCC[NH2+][C@@H](C)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001733993737 1183605850 /nfs/dbraw/zinc/60/58/50/1183605850.db2.gz FCIMNTGZJJWGIM-KBPBESRZSA-N 2 0 299.459 1.238 10 0 CDAERP CC(C)=CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001734045020 1183632442 /nfs/dbraw/zinc/63/24/42/1183632442.db2.gz JBOPTLLSACLSLE-LSDHHAIUSA-N 2 0 281.444 1.873 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]C(C)C ZINC001734358366 1183745963 /nfs/dbraw/zinc/74/59/63/1183745963.db2.gz SWLIUHYZBFMFAQ-UONOGXRCSA-N 2 0 269.433 1.706 10 0 CDAERP COCCCC[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001734499146 1183801157 /nfs/dbraw/zinc/80/11/57/1183801157.db2.gz AORKXWXNHBOYOC-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP CN(C(=O)C(C)(C)[NH+]1CCCC1)C1CC([NH2+]CCCF)C1 ZINC001734599227 1183841353 /nfs/dbraw/zinc/84/13/53/1183841353.db2.gz SBVUSVXYEXPYSP-UHFFFAOYSA-N 2 0 299.434 1.799 10 0 CDAERP Cc1cccc([C@@H]([NH2+]CC(=O)N2CC[NH2+]CC2)C(C)C)c1 ZINC001771826193 1184765638 /nfs/dbraw/zinc/76/56/38/1184765638.db2.gz NBDWGGZUYLRSOP-KRWDZBQOSA-N 2 0 289.423 1.714 10 0 CDAERP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC001771934604 1186966045 /nfs/dbraw/zinc/96/60/45/1186966045.db2.gz XZRDNGRXHRWSPT-APYLGABCSA-N 2 0 286.441 1.072 10 0 CDAERP C[NH+](C)[C@H]1C[C@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)C12CCC2 ZINC000864070754 1164504610 /nfs/dbraw/zinc/50/46/10/1164504610.db2.gz VLPDNWDUQBHUFQ-DZKIICNBSA-N 2 0 291.439 1.461 10 0 CDAERP C[C@@H](C[NH2+][C@H](C1CC1)C1CCOCC1)C[NH+](C)C ZINC000926474094 736486386 /nfs/dbraw/zinc/48/63/86/736486386.db2.gz ODAXIFKOZPKLKJ-SWLSCSKDSA-N 2 0 254.418 1.979 10 0 CDAERP CCC[C@@H]1CN(C(=O)[C@H]([NH3+])[C@@H](C)CC)CC[N@@H+]1CCOC ZINC000236931495 738438067 /nfs/dbraw/zinc/43/80/67/738438067.db2.gz GOYMIRIMTNIXRN-RRFJBIMHSA-N 2 0 299.459 1.319 10 0 CDAERP CO[C@H]1C[C@@H](C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)C1 ZINC000721962694 738439526 /nfs/dbraw/zinc/43/95/26/738439526.db2.gz NVPZPPAIKSERCG-WISYIIOYSA-N 2 0 280.334 1.871 10 0 CDAERP CCOC1CC(O)(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925657557 738455221 /nfs/dbraw/zinc/45/52/21/738455221.db2.gz CRKDTNVYOQGGBY-SIUPQYRZSA-N 2 0 270.417 1.412 10 0 CDAERP CC[C@@H](NCCOC1CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000925878241 738457786 /nfs/dbraw/zinc/45/77/86/738457786.db2.gz SGLPDYZLFQQIHP-KGLIPLIRSA-N 2 0 256.390 1.302 10 0 CDAERP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(S(C)(=O)=O)cc1 ZINC000925877325 736629568 /nfs/dbraw/zinc/62/95/68/736629568.db2.gz OQLMNRVINWBSRL-BZPMIXESSA-N 2 0 296.436 1.868 10 0 CDAERP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)CCC2(O)CCC2)C1 ZINC000929791243 736654197 /nfs/dbraw/zinc/65/41/97/736654197.db2.gz QRIZTCSXJPVCMM-GJZGRUSLSA-N 2 0 284.444 1.316 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCC[NH2+][C@H]1C)[NH+]1CCCCC1 ZINC000094647933 736715414 /nfs/dbraw/zinc/71/54/14/736715414.db2.gz KZHNEIMUHSYZOC-HZSPNIEDSA-N 2 0 267.417 1.365 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)[C@H]2CCC[C@H]21 ZINC000925879952 736863850 /nfs/dbraw/zinc/86/38/50/736863850.db2.gz NAADFAWJRFVTMY-QKGCVVFFSA-N 3 0 251.418 1.576 10 0 CDAERP C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000923410818 736866039 /nfs/dbraw/zinc/86/60/39/736866039.db2.gz KGAOIBLDBIBTDK-BZPMIXESSA-N 2 0 282.359 1.092 10 0 CDAERP C[C@@H]1[C@H](NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000925326054 737049405 /nfs/dbraw/zinc/04/94/05/737049405.db2.gz KPKUIYCKPWMJBW-RBSFLKMASA-N 2 0 294.443 1.206 10 0 CDAERP C(C[NH2+]C1CC1)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000923364069 737064591 /nfs/dbraw/zinc/06/45/91/737064591.db2.gz GRWVMANCAUIYGE-OAHLLOKOSA-N 3 0 251.418 1.593 10 0 CDAERP C[C@H]([NH2+][C@H]1CCCNC1=O)c1cccc(C[NH+](C)C)c1 ZINC000820808826 737071894 /nfs/dbraw/zinc/07/18/94/737071894.db2.gz OIJPAMMTLWOGFB-WFASDCNBSA-N 2 0 275.396 1.677 10 0 CDAERP OC[C@H](Cc1ccc(F)cc1)N[C@H]1CC[NH2+]C12CCCC2 ZINC000925649664 737122634 /nfs/dbraw/zinc/12/26/34/737122634.db2.gz HLMMGZUEYWJLIO-HOTGVXAUSA-N 2 0 292.398 1.993 10 0 CDAERP CC[C@H](C)[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549279 737124062 /nfs/dbraw/zinc/12/40/62/737124062.db2.gz GWSPHGBPIZRCGR-UHTWSYAYSA-N 2 0 267.373 1.042 10 0 CDAERP CCn1cc(CN2CCC([C@H]3CCC[NH2+]3)CC2)nn1 ZINC000714437740 737145468 /nfs/dbraw/zinc/14/54/68/737145468.db2.gz PCISJHNJLIOWBM-CQSZACIVSA-N 2 0 263.389 1.262 10 0 CDAERP CC(=O)CC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000174241022 737187540 /nfs/dbraw/zinc/18/75/40/737187540.db2.gz PSJAHGBNDJOJPR-UHFFFAOYSA-N 2 0 268.401 1.542 10 0 CDAERP C[C@H]1CN(C(=[NH2+])NCCCC[N@@H+]2CCCC[C@@H]2C)CCO1 ZINC000848989575 737265150 /nfs/dbraw/zinc/26/51/50/737265150.db2.gz XXGGTRDBUTVUKL-GJZGRUSLSA-N 2 0 296.459 1.886 10 0 CDAERP CC(C)[C@@H](C[NH2+][C@@H]1COCC1(C)C)N1CC[NH+](C)CC1 ZINC000313074690 737276582 /nfs/dbraw/zinc/27/65/82/737276582.db2.gz IFZMLMSRQZXCMN-HUUCEWRRSA-N 2 0 283.460 1.273 10 0 CDAERP Brc1c[nH]c(C[NH2+]CCCn2ccnc2)n1 ZINC000309190351 737282464 /nfs/dbraw/zinc/28/24/64/737282464.db2.gz CEWZCIRZIPUJAP-UHFFFAOYSA-N 2 0 284.161 1.549 10 0 CDAERP C[C@H]1C[N@H+](CCCc2cncn2C)CC[C@@H]1C[NH3+] ZINC000923488113 737338384 /nfs/dbraw/zinc/33/83/84/737338384.db2.gz DKHGEOQIEMBXLH-QWHCGFSZSA-N 2 0 250.390 1.269 10 0 CDAERP C[N@@H+]1CCC[C@H](CN[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925557559 737438574 /nfs/dbraw/zinc/43/85/74/737438574.db2.gz PKUCWLAGWQASGB-MCIONIFRSA-N 2 0 253.434 1.824 10 0 CDAERP [NH3+]CCCCCCNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000846681047 737465744 /nfs/dbraw/zinc/46/57/44/737465744.db2.gz YFFDAWPEHPBIGM-CHWSQXEVSA-N 2 0 253.390 1.152 10 0 CDAERP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CC[NH+](CCC2CCC2)CC1 ZINC000863548258 737570893 /nfs/dbraw/zinc/57/08/93/737570893.db2.gz OVAZZBOLCLYTRH-LSDHHAIUSA-N 2 0 293.411 1.434 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000848562937 737639971 /nfs/dbraw/zinc/63/99/71/737639971.db2.gz MZSVURHTGUMXRL-WAAGHKOSSA-N 2 0 276.306 1.858 10 0 CDAERP C[NH2+]CCOCC[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000863484084 737778326 /nfs/dbraw/zinc/77/83/26/737778326.db2.gz SWMLDGRRHYLBCN-UHFFFAOYSA-N 2 0 268.323 1.933 10 0 CDAERP Clc1cnc(CN2CC[NH2+]CC[NH2+]CC2)c(Cl)c1 ZINC000923459679 737733042 /nfs/dbraw/zinc/73/30/42/737733042.db2.gz LEHXCMANTBQSIW-UHFFFAOYSA-N 2 0 289.210 1.383 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000925800203 737749508 /nfs/dbraw/zinc/74/95/08/737749508.db2.gz WQSLOQRHKBSBSG-KBXIAJHMSA-N 3 0 251.418 1.448 10 0 CDAERP CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925857198 737756962 /nfs/dbraw/zinc/75/69/62/737756962.db2.gz YZTSFXSKQOHNTH-HZSPNIEDSA-N 2 0 280.412 1.840 10 0 CDAERP C[C@@H]1CN(CC(=O)Nc2cccnc2Cl)CC[C@@H]1C[NH3+] ZINC000923495396 737823039 /nfs/dbraw/zinc/82/30/39/737823039.db2.gz BUVFFWYTCHKVGT-GHMZBOCLSA-N 2 0 296.802 1.590 10 0 CDAERP OCc1ccc(F)c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000863541603 737854907 /nfs/dbraw/zinc/85/49/07/737854907.db2.gz JZYVHPQWGJQFNY-UHFFFAOYSA-N 2 0 278.371 1.894 10 0 CDAERP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)CCCCCC[NH3+] ZINC000720902609 737925070 /nfs/dbraw/zinc/92/50/70/737925070.db2.gz UOKKDUBTQWVZFA-ZIAGYGMSSA-N 2 0 267.417 1.591 10 0 CDAERP CC(C)(C[NH3+])C1CCN(CC(=O)NCC(F)(F)F)CC1 ZINC000714502511 737925887 /nfs/dbraw/zinc/92/58/87/737925887.db2.gz ZLTZKKVEXQDPHZ-UHFFFAOYSA-N 2 0 295.349 1.362 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3CC[NH+](C)C[C@@H]3C2)CC[N@@H+]1C ZINC000812323074 737966392 /nfs/dbraw/zinc/96/63/92/737966392.db2.gz GGNNGXYQZRFXOB-ZQDZILKHSA-N 2 0 279.428 1.127 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000848721200 737970457 /nfs/dbraw/zinc/97/04/57/737970457.db2.gz JCKZPUXGNGDLQB-UHTWSYAYSA-N 2 0 267.373 1.077 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262348548 738523533 /nfs/dbraw/zinc/52/35/33/738523533.db2.gz HAYOCMQYYDKFLV-IHRRRGAJSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)CC[NH2+]1 ZINC000723655168 738524290 /nfs/dbraw/zinc/52/42/90/738524290.db2.gz KLFDGEIRYKPSOD-GZBLMMOJSA-N 2 0 252.402 1.922 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)C=C1CC[NH2+]CC1)c1cccs1 ZINC000852854359 738522406 /nfs/dbraw/zinc/52/24/06/738522406.db2.gz GEMBFKKYTIMJRJ-CYBMUJFWSA-N 2 0 293.436 1.777 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)[C@@H](C)C1 ZINC000926942061 738025024 /nfs/dbraw/zinc/02/50/24/738025024.db2.gz MIMMMRDGNHHWLH-QMHWVQJVSA-N 2 0 264.413 1.897 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)C[C@@H]([NH3+])C2CC2)CC[N@@H+]1C ZINC000830350444 738092998 /nfs/dbraw/zinc/09/29/98/738092998.db2.gz CHQQRVHQFWQOKV-KGYLQXTDSA-N 2 0 253.390 1.055 10 0 CDAERP C[NH+](C)CC1(CN[C@H]2CC[NH2+]C23CCC3)CCCC1 ZINC000925638800 738149880 /nfs/dbraw/zinc/14/98/80/738149880.db2.gz GFCFURUEFSDZFF-AWEZNQCLSA-N 2 0 265.445 1.983 10 0 CDAERP CCN(C(=O)N[C@@H]1CC[NH+](C)[C@H]1C)[C@H]1CC[N@H+](CC)C1 ZINC000925343843 738256610 /nfs/dbraw/zinc/25/66/10/738256610.db2.gz QVEDUJRVICCEAH-MELADBBJSA-N 2 0 282.432 1.205 10 0 CDAERP C1C[C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)[C@@H]2CSCCN2C1 ZINC000720492622 738265959 /nfs/dbraw/zinc/26/59/59/738265959.db2.gz CIGAQXIGYXEDKY-MCIONIFRSA-N 2 0 269.458 1.298 10 0 CDAERP C[C@@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[S@@](C)=O ZINC000820823456 738333091 /nfs/dbraw/zinc/33/30/91/738333091.db2.gz NJPNMWHKUBRQND-RXPVDPRZSA-N 2 0 284.469 1.891 10 0 CDAERP C[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2)CC[C@@H]1C[NH3+] ZINC000923494437 738362965 /nfs/dbraw/zinc/36/29/65/738362965.db2.gz XOYYXKGDRSJRHB-KYOSRNDESA-N 2 0 266.360 1.776 10 0 CDAERP C[NH+](C)C1(C)CCC([NH2+][C@H]2CCCNC(=O)C2)CC1 ZINC000715511613 738365295 /nfs/dbraw/zinc/36/52/95/738365295.db2.gz WIEUYKBZNYELLM-OWYJLGKBSA-N 2 0 267.417 1.508 10 0 CDAERP C([C@@H]1CC2(CCC2)CO1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000872142719 738562822 /nfs/dbraw/zinc/56/28/22/738562822.db2.gz BHQBNZJDWOJCGM-DZGCQCFKSA-N 2 0 250.386 1.631 10 0 CDAERP CN1CC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C2(CCCCC2)C1 ZINC000923327345 738649430 /nfs/dbraw/zinc/64/94/30/738649430.db2.gz RYAVBJRTERJTRO-HNNXBMFYSA-N 2 0 293.455 1.315 10 0 CDAERP OC1CCN(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)S3)CC1 ZINC000924752079 738723524 /nfs/dbraw/zinc/72/35/24/738723524.db2.gz AIPQUTWVOFLMCS-LQDVMPOASA-N 2 0 284.469 1.849 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC2([NH+](C)C)CC2)[C@@H](C)C1 ZINC000923004976 738726065 /nfs/dbraw/zinc/72/60/65/738726065.db2.gz HYEFGDLHAWHSSW-KBPBESRZSA-N 2 0 296.459 1.452 10 0 CDAERP CCC[N@@H+]1CC[C@@H](N[C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000925711434 738777814 /nfs/dbraw/zinc/77/78/14/738777814.db2.gz ZAIWCDHCXLNYRF-APIJFGDWSA-N 2 0 265.445 1.837 10 0 CDAERP Cn1cnc(CC[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)c1 ZINC000925693151 738778510 /nfs/dbraw/zinc/77/85/10/738778510.db2.gz LQTUKZAMULZWBI-WCQYABFASA-N 2 0 250.390 1.458 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](O)c1cc(C)cc(C)c1 ZINC000817930098 738810079 /nfs/dbraw/zinc/81/00/79/738810079.db2.gz MRVHDNHAHYNTGQ-CVEARBPZSA-N 2 0 280.412 1.680 10 0 CDAERP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925798737 738821920 /nfs/dbraw/zinc/82/19/20/738821920.db2.gz RHJSNFRILPIYKE-COMQUAJESA-N 3 0 251.418 1.304 10 0 CDAERP CC[NH+](CC)CCN[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000924540500 738846243 /nfs/dbraw/zinc/84/62/43/738846243.db2.gz DUILMOCELYKSBC-CABCVRRESA-N 2 0 253.434 1.935 10 0 CDAERP COC[C@@H](CC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)OC ZINC000925714807 738860068 /nfs/dbraw/zinc/86/00/68/738860068.db2.gz WZFOHIBIKPBFHO-MQYQWHSLSA-N 2 0 270.417 1.404 10 0 CDAERP Cc1ncc([C@H](C)[NH2+]CCN2CCC([NH3+])CC2)c(C)n1 ZINC000925815201 738874295 /nfs/dbraw/zinc/87/42/95/738874295.db2.gz OWOPVQFMOKOLSE-NSHDSACASA-N 2 0 277.416 1.167 10 0 CDAERP CC(=O)NCCCCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000929848074 738882557 /nfs/dbraw/zinc/88/25/57/738882557.db2.gz PXEYJJASUBTICQ-HZPDHXFCSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000817906989 738894050 /nfs/dbraw/zinc/89/40/50/738894050.db2.gz KMVPZDDLIVLJLC-QJPTWQEYSA-N 2 0 299.440 1.835 10 0 CDAERP Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2C[C@@H]2CCC[NH2+]C2)cn1 ZINC000262050254 739095277 /nfs/dbraw/zinc/09/52/77/739095277.db2.gz ZLWZZPBGBSHZDW-VNQPRFMTSA-N 2 0 292.427 1.308 10 0 CDAERP Cc1ncsc1CC[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923501961 739184424 /nfs/dbraw/zinc/18/44/24/739184424.db2.gz UFFKZWIZXDKVHG-PWSUYJOCSA-N 2 0 253.415 1.911 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccco2)[C@H]2CCC[C@H]21 ZINC000796683750 739226046 /nfs/dbraw/zinc/22/60/46/739226046.db2.gz OLMSCEVAZZECOH-RQJABVFESA-N 2 0 264.369 1.775 10 0 CDAERP C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2F)C[C@H]1CC[NH3+] ZINC000923430874 738931787 /nfs/dbraw/zinc/93/17/87/738931787.db2.gz LKGICKDSXCLULP-MGPQQGTHSA-N 2 0 296.386 1.482 10 0 CDAERP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)[C@@H]1CN(C)CCO1 ZINC000925616578 736389243 /nfs/dbraw/zinc/38/92/43/736389243.db2.gz NMAQBMGQRATIBY-FQUUOJAGSA-N 2 0 269.433 1.201 10 0 CDAERP CCC(CC)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923501432 736412520 /nfs/dbraw/zinc/41/25/20/736412520.db2.gz UJFIEROSJVHUHG-RWMBFGLXSA-N 2 0 269.433 1.596 10 0 CDAERP CC(=O)NCCCCC[NH+]1CCC([NH+](C)C)CC1 ZINC000929259539 736447851 /nfs/dbraw/zinc/44/78/51/736447851.db2.gz GGFWBNZBCLUCRN-UHFFFAOYSA-N 2 0 255.406 1.319 10 0 CDAERP [NH3+]CCCCCCNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000843512882 736457914 /nfs/dbraw/zinc/45/79/14/736457914.db2.gz SZMPBRZHINVAGN-AWEZNQCLSA-N 2 0 281.375 1.503 10 0 CDAERP CC(C)N1C[C@H]([NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1=O ZINC000925582068 736499250 /nfs/dbraw/zinc/49/92/50/736499250.db2.gz WJPWREDBCFYMEC-RWMBFGLXSA-N 2 0 267.417 1.491 10 0 CDAERP COC[C@H](C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C(C)C ZINC000925873972 736504301 /nfs/dbraw/zinc/50/43/01/736504301.db2.gz OQGGQMKEAMDXDF-UQGHGMQMSA-N 2 0 252.402 1.491 10 0 CDAERP C[N@H+](CCCCCC[NH3+])Cc1cc(=O)n2ccsc2n1 ZINC000710705768 736511786 /nfs/dbraw/zinc/51/17/86/736511786.db2.gz OIWBVFWYLVMMPV-UHFFFAOYSA-N 2 0 294.424 1.707 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870864690 736550859 /nfs/dbraw/zinc/55/08/59/736550859.db2.gz UJDFPGXOKWMCKY-VQCLRJIVSA-N 2 0 279.428 1.509 10 0 CDAERP Cn1cc(CCC[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)cn1 ZINC000925576444 736620311 /nfs/dbraw/zinc/62/03/11/736620311.db2.gz IKHVDVIGYVVPRU-UONOGXRCSA-N 2 0 264.417 1.848 10 0 CDAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)C(C)(C)CO)CC1 ZINC000924948226 736753423 /nfs/dbraw/zinc/75/34/23/736753423.db2.gz BMLNEKUKVQVKTD-HUUCEWRRSA-N 2 0 285.476 1.257 10 0 CDAERP CCn1cc([C@@H](C)[NH2+]CCCCCN2CC[NH2+]CC2)cn1 ZINC000925843980 736796675 /nfs/dbraw/zinc/79/66/75/736796675.db2.gz IQKZOGWYDVBTKS-OAHLLOKOSA-N 2 0 293.459 1.629 10 0 CDAERP O=[S@](CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)CC(F)(F)F ZINC000850349746 738951492 /nfs/dbraw/zinc/95/14/92/738951492.db2.gz JMWCYRRAPMRKGZ-XCJKDKRRSA-N 2 0 298.374 1.514 10 0 CDAERP Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000923411921 738935331 /nfs/dbraw/zinc/93/53/31/738935331.db2.gz TWWVPXSLKMJJNJ-BZUAXINKSA-N 2 0 292.423 1.570 10 0 CDAERP COc1ccccc1C1([NH2+]C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923384683 738944619 /nfs/dbraw/zinc/94/46/19/738944619.db2.gz KVMMAUIRYKRLCN-ZDUSSCGKSA-N 2 0 288.391 1.652 10 0 CDAERP CC1(C)C[C@@H](N[C@H]2CC[N@H+](CC3CC3)C2)C[C@@H]([NH3+])C1 ZINC000925557382 736971719 /nfs/dbraw/zinc/97/17/19/736971719.db2.gz PASCBCRBKGWFBX-ILXRZTDVSA-N 2 0 265.445 1.966 10 0 CDAERP C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000715570371 736998254 /nfs/dbraw/zinc/99/82/54/736998254.db2.gz DOIRKBDNZZITOH-REWIBIJMSA-N 2 0 281.444 1.896 10 0 CDAERP [NH2+]=C(NCCC1CC1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000864452326 736998863 /nfs/dbraw/zinc/99/88/63/736998863.db2.gz MVPNGGBDNXMXQR-LBPRGKRZSA-N 2 0 250.390 1.385 10 0 CDAERP Cn1nccc1CC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925640687 737091643 /nfs/dbraw/zinc/09/16/43/737091643.db2.gz UUDKSZAONQLHCJ-NEPJUHHUSA-N 2 0 250.390 1.458 10 0 CDAERP [NH3+][C@H](CC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1)C1CC1 ZINC000825547356 737115154 /nfs/dbraw/zinc/11/51/54/737115154.db2.gz KWUIEPRJBNQQJY-BFHYXJOUSA-N 2 0 265.401 1.104 10 0 CDAERP Cc1noc(C)c1CCC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000863550716 737176710 /nfs/dbraw/zinc/17/67/10/737176710.db2.gz DOKOIAQTBVZCLZ-AWEZNQCLSA-N 2 0 281.400 1.270 10 0 CDAERP C[C@H](C1CC1)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000782181443 737179426 /nfs/dbraw/zinc/17/94/26/737179426.db2.gz HZIFUIOKHWSQQI-UKRRQHHQSA-N 2 0 251.418 1.497 10 0 CDAERP C[C@]1(C(F)(F)F)CC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923420006 737305700 /nfs/dbraw/zinc/30/57/00/737305700.db2.gz HUVCAMFKJGXTJN-XKNYDFJKSA-N 2 0 252.280 1.111 10 0 CDAERP CC(=O)NCCCCC[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000929962920 737349774 /nfs/dbraw/zinc/34/97/74/737349774.db2.gz VOPQWYJNBQTLMV-UHFFFAOYSA-N 2 0 269.433 1.755 10 0 CDAERP C[C@@H]1OC[C@@H]([NH2+]Cc2ccnc(OCC[NH+](C)C)c2)[C@@H]1C ZINC000925653532 737612739 /nfs/dbraw/zinc/61/27/39/737612739.db2.gz MSCUEGALACARRV-VNHYZAJKSA-N 2 0 293.411 1.535 10 0 CDAERP COc1ccccc1C[C@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925811766 737626857 /nfs/dbraw/zinc/62/68/57/737626857.db2.gz RRBBDYAMIABYOG-AWEZNQCLSA-N 2 0 291.439 1.639 10 0 CDAERP CC(C)[N@H+](C)C[C@@H](O)CN1CCC(C)([NH+](C)C)CC1 ZINC000709794990 737657415 /nfs/dbraw/zinc/65/74/15/737657415.db2.gz BUVWVILQWIZTAJ-CQSZACIVSA-N 2 0 271.449 1.104 10 0 CDAERP CC(C)[C@H](CO)C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000703277147 737665661 /nfs/dbraw/zinc/66/56/61/737665661.db2.gz SWTCHJBRVHYHLR-RFQIPJPRSA-N 2 0 254.418 1.617 10 0 CDAERP Cc1c[nH]nc1C[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000715385026 737725007 /nfs/dbraw/zinc/72/50/07/737725007.db2.gz HNWSOQRNWJZKFZ-UHFFFAOYSA-N 2 0 250.390 1.915 10 0 CDAERP [NH3+][C@@H]1c2cccc(-c3ccccc3)c2[C@H]([NH3+])[C@@H](O)[C@H]1O ZINC000575624104 738984877 /nfs/dbraw/zinc/98/48/77/738984877.db2.gz GTTMLYUJQNDRSZ-FXUDXRNXSA-N 2 0 270.332 1.089 10 0 CDAERP C[C@H]1CCC[N@@H+](C(C)(C)CNC2=[NH+]CCCCN2)C1 ZINC000849216040 737810434 /nfs/dbraw/zinc/81/04/34/737810434.db2.gz RCFNIJGGURITIC-ZDUSSCGKSA-N 2 0 266.433 1.826 10 0 CDAERP C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C[C@H]1CCOC1 ZINC000399109475 737827803 /nfs/dbraw/zinc/82/78/03/737827803.db2.gz VUTJHEJPMMOHEX-NUDNTCICSA-N 2 0 252.402 1.875 10 0 CDAERP CC1([NH3+])CC[NH+](CCc2ccc(C(N)=O)cc2)CC1 ZINC000866663143 737843353 /nfs/dbraw/zinc/84/33/53/737843353.db2.gz ACKKSWLOVPTMNV-UHFFFAOYSA-N 2 0 261.369 1.141 10 0 CDAERP CC(C)C(=O)NCCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925625035 737854616 /nfs/dbraw/zinc/85/46/16/737854616.db2.gz FYSWRJCDBQOCKH-RYUDHWBXSA-N 2 0 253.390 1.008 10 0 CDAERP CCOC(=O)C1=CC[C@H]([NH2+][C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000863542264 737877054 /nfs/dbraw/zinc/87/70/54/737877054.db2.gz CEQIPYBTBNVXDA-RDBSUJKOSA-N 2 0 266.385 1.745 10 0 CDAERP CC(C)COC[C@@H](O)CN1CCCCC[C@@H]([NH3+])C1 ZINC000923412083 737892578 /nfs/dbraw/zinc/89/25/78/737892578.db2.gz PAGHRVBRFKSYHQ-KGLIPLIRSA-N 2 0 258.406 1.223 10 0 CDAERP C[C@@H]1C[N@H+](CCCN[C@H]2C[C@H]([NH3+])CC(C)(C)C2)CCCO1 ZINC000925651508 737934143 /nfs/dbraw/zinc/93/41/43/737934143.db2.gz DSIRLUHWQNFJFX-PMPSAXMXSA-N 3 0 297.487 1.983 10 0 CDAERP C[C@H](CN[C@@H]1CC[NH2+]C12CCC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000925545670 737973012 /nfs/dbraw/zinc/97/30/12/737973012.db2.gz BLXBVFFJVLHVLQ-RBSFLKMASA-N 2 0 265.445 1.981 10 0 CDAERP C[N@@H+]1CC[C@@]2(C1)CCCN(C[C@@H](O)c1ccc(F)cn1)C2 ZINC000852105927 737988466 /nfs/dbraw/zinc/98/84/66/737988466.db2.gz QTTNOJGZOZDWKJ-HZPDHXFCSA-N 2 0 293.386 1.672 10 0 CDAERP CC(C)(C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)CS(C)(=O)=O ZINC000723882451 738014811 /nfs/dbraw/zinc/01/48/11/738014811.db2.gz JHLOKCIPIXLNMX-RWMBFGLXSA-N 2 0 288.457 1.035 10 0 CDAERP [NH3+][C@H](CCN[C@@H]1C[C@@H]([NH3+])C12CCC2)Cc1ccccc1 ZINC000925726385 738049600 /nfs/dbraw/zinc/04/96/00/738049600.db2.gz SISOXWMLWUBKLV-BZUAXINKSA-N 2 0 273.424 1.806 10 0 CDAERP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000866696970 738091900 /nfs/dbraw/zinc/09/19/00/738091900.db2.gz DZIRXCNIUJQABC-LSDHHAIUSA-N 2 0 270.417 1.380 10 0 CDAERP COc1c[nH+]ccc1N1CC[NH+]([C@@H]2CC[C@H](OC)C2)CC1 ZINC000852002574 738161424 /nfs/dbraw/zinc/16/14/24/738161424.db2.gz DDULDPQCCKMVDH-KGLIPLIRSA-N 2 0 291.395 1.780 10 0 CDAERP C[C@@H](C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1)[C@H](C)[NH3+] ZINC000870991312 738181927 /nfs/dbraw/zinc/18/19/27/738181927.db2.gz DLFBLRYHNFHERF-SUNKGSAMSA-N 2 0 255.406 1.193 10 0 CDAERP CN(C)c1cc[nH+]cc1CNc1cc2n(n1)CC[N@H+](C)C2 ZINC000865844431 738248161 /nfs/dbraw/zinc/24/81/61/738248161.db2.gz AYSRRSIWIKPYIO-UHFFFAOYSA-N 2 0 286.383 1.402 10 0 CDAERP CC1(C)CCC[C@](CO)([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000859616653 738252426 /nfs/dbraw/zinc/25/24/26/738252426.db2.gz ZGXSSOMBZFBEAP-HOCLYGCPSA-N 2 0 284.444 1.364 10 0 CDAERP CC(=O)NCCCCC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000929703954 738259696 /nfs/dbraw/zinc/25/96/96/738259696.db2.gz WEYNVKCPMMECCE-HNNXBMFYSA-N 2 0 269.433 1.566 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(C[NH3+])c1 ZINC000094456950 738344638 /nfs/dbraw/zinc/34/46/38/738344638.db2.gz FIDYGZNHWGXFDM-IUODEOHRSA-N 2 0 273.380 1.454 10 0 CDAERP CCCCOC(=O)CC[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923454040 738399198 /nfs/dbraw/zinc/39/91/98/738399198.db2.gz ZTTZOSAXNTURKD-AWEZNQCLSA-N 2 0 298.427 1.550 10 0 CDAERP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCOC1CCOCC1 ZINC000925878431 739033407 /nfs/dbraw/zinc/03/34/07/739033407.db2.gz VHDVTIJSCVHBKW-UONOGXRCSA-N 2 0 256.390 1.432 10 0 CDAERP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCc1ccc(C(N)=O)cc1 ZINC000866668273 739034436 /nfs/dbraw/zinc/03/44/36/739034436.db2.gz AQLDZVKVOCIQQR-SMDDNHRTSA-N 2 0 261.369 1.140 10 0 CDAERP C[C@@H]([NH3+])CN(C)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000859655556 739047095 /nfs/dbraw/zinc/04/70/95/739047095.db2.gz DMCKCRLVOBDAJP-SNVBAGLBSA-N 2 0 274.328 1.078 10 0 CDAERP [NH3+]C1CCC([NH2+]C[C@H]2CC[C@H](C(F)(F)F)O2)CC1 ZINC000722392183 739089295 /nfs/dbraw/zinc/08/92/95/739089295.db2.gz RFDXCRQVNKDDDI-JPPWEJMLSA-N 2 0 266.307 1.956 10 0 CDAERP CC1(C)CO[C@H](C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000708342165 739130958 /nfs/dbraw/zinc/13/09/58/739130958.db2.gz ZMQZOGSHZYCAGA-IGQOVBAYSA-N 2 0 252.402 1.861 10 0 CDAERP C[N@H+]1CC=C(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925633631 739208506 /nfs/dbraw/zinc/20/85/06/739208506.db2.gz FNPLPOYWOHKWFY-ZIAGYGMSSA-N 3 0 251.418 1.744 10 0 CDAERP CCCNC(=O)CC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925494208 739228655 /nfs/dbraw/zinc/22/86/55/739228655.db2.gz JBZZSOOOMZLIMD-GJZGRUSLSA-N 2 0 281.444 1.661 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC001625543625 1165914642 /nfs/dbraw/zinc/91/46/42/1165914642.db2.gz JQIMHLFJOMLKIE-CYBMUJFWSA-N 2 0 269.433 1.517 10 0 CDAERP C[C@@H](CC[NH2+]CC1CC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001568686543 1167540627 /nfs/dbraw/zinc/54/06/27/1167540627.db2.gz AGBFIHZBAPMTES-ZDUSSCGKSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@@H](C[N@H+](C)CC1CC1)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001569138893 1167552695 /nfs/dbraw/zinc/55/26/95/1167552695.db2.gz XRJNQUOOXSWZLX-OLZOCXBDSA-N 2 0 267.417 1.175 10 0 CDAERP CCOCC[NH2+][C@H](C)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001571394170 1167593689 /nfs/dbraw/zinc/59/36/89/1167593689.db2.gz FNQOUDJBQVQYHI-CQSZACIVSA-N 2 0 297.443 1.088 10 0 CDAERP COCCCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C ZINC001571468263 1167597560 /nfs/dbraw/zinc/59/75/60/1167597560.db2.gz ZZASGFXEABDJMX-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CCCCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001567152755 1168046388 /nfs/dbraw/zinc/04/63/88/1168046388.db2.gz AKBHMVRPHFWYJE-JKSUJKDBSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001565879070 1168065056 /nfs/dbraw/zinc/06/50/56/1168065056.db2.gz YWGIBRLEXKLSNK-JYJNAYRXSA-N 2 0 295.471 1.859 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001483670708 912490206 /nfs/dbraw/zinc/49/02/06/912490206.db2.gz QHKGBZGJVBSCMG-UONOGXRCSA-N 2 0 299.434 1.799 10 0 CDAERP CC(C)C[N@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001266306624 894314167 /nfs/dbraw/zinc/31/41/67/894314167.db2.gz ZVTVJOHASSLGDV-UHFFFAOYSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)[C@H](C(=O)N(C)CC[NH2+]CCC1CC1)[NH+](C)C ZINC001266827871 896136831 /nfs/dbraw/zinc/13/68/31/896136831.db2.gz DYGUHSJDHHILFR-CQSZACIVSA-N 2 0 269.433 1.421 10 0 CDAERP CCC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001267057844 896652336 /nfs/dbraw/zinc/65/23/36/896652336.db2.gz LRTUZAGZYUMGBT-KBPBESRZSA-N 2 0 267.417 1.176 10 0 CDAERP CCOCC[N@H+](C)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001267110510 896818132 /nfs/dbraw/zinc/81/81/32/896818132.db2.gz DXIBNSLDXGBKCX-HNNXBMFYSA-N 2 0 299.459 1.288 10 0 CDAERP CCCC[NH2+][C@@H](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001267144005 896912024 /nfs/dbraw/zinc/91/20/24/896912024.db2.gz REPQEAGVOHIPJI-ZDUSSCGKSA-N 2 0 269.433 1.613 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)c2ccccc21 ZINC000724576336 896947395 /nfs/dbraw/zinc/94/73/95/896947395.db2.gz DTIIWSLUAZUTFA-GXZBSRFJSA-N 2 0 274.364 1.525 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NCCC[C@@H]2CCC[NH+]2CCF)C1 ZINC001267175034 897010001 /nfs/dbraw/zinc/01/00/01/897010001.db2.gz OCBJNPNDCLDIKP-HUUCEWRRSA-N 2 0 299.434 1.659 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]CC(C)C)CC[N@@H+]1C ZINC001267375216 897759465 /nfs/dbraw/zinc/75/94/65/897759465.db2.gz ZNTSGMMBQYNVIR-UONOGXRCSA-N 2 0 269.433 1.421 10 0 CDAERP CN(CC[NH2+]CC[C@@H]1CCCO1)C(=O)C[N@H+](C)C1CCC1 ZINC001267384593 897827227 /nfs/dbraw/zinc/82/72/27/897827227.db2.gz YGQYGSQJRIQQAZ-HNNXBMFYSA-N 2 0 297.443 1.088 10 0 CDAERP CC/C=C\CC[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001267391983 897851726 /nfs/dbraw/zinc/85/17/26/897851726.db2.gz YADBGYPMCKODIA-IYKSTZQJSA-N 2 0 281.444 1.875 10 0 CDAERP CC[C@H](C)C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001567605306 1168883750 /nfs/dbraw/zinc/88/37/50/1168883750.db2.gz WKGXPLFTFBLSLG-QWHCGFSZSA-N 2 0 255.406 1.032 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH]cn1 ZINC001481044044 898675253 /nfs/dbraw/zinc/67/52/53/898675253.db2.gz XQFDBEXHWHSCJF-UKRRQHHQSA-N 2 0 292.427 1.969 10 0 CDAERP CCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001267610755 898921120 /nfs/dbraw/zinc/92/11/20/898921120.db2.gz OOICPRHBZWWQEM-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H]2CCn3ccnc3C2)C1 ZINC000925643372 899955950 /nfs/dbraw/zinc/95/59/50/899955950.db2.gz IKJIMVFLUGQSHC-JHJVBQTASA-N 2 0 262.401 1.694 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CC)C1 ZINC001481433890 900656289 /nfs/dbraw/zinc/65/62/89/900656289.db2.gz DEUCAVHVSKYLSG-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)C[N@H+](C)C[C@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001481505860 900961007 /nfs/dbraw/zinc/96/10/07/900961007.db2.gz WSJYTCHZOBQRIM-HZPDHXFCSA-N 2 0 295.471 1.765 10 0 CDAERP CC(C)CCC[NH+]1CC(NC(=O)CCC[NH+](C)C)C1 ZINC001481579858 901308517 /nfs/dbraw/zinc/30/85/17/901308517.db2.gz LBMFQUQKEALWCT-UHFFFAOYSA-N 2 0 269.433 1.565 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)CC[NH2+]CCC(F)(F)F)[NH+](C)C ZINC001268417473 902032241 /nfs/dbraw/zinc/03/22/41/902032241.db2.gz ZTJVZGDLONBZTC-GHMZBOCLSA-N 2 0 297.365 1.763 10 0 CDAERP C[C@@H](CC[NH2+]Cc1cscn1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001268424163 902039130 /nfs/dbraw/zinc/03/91/30/902039130.db2.gz SDSMRMCREFQDOO-RYUDHWBXSA-N 2 0 296.440 1.079 10 0 CDAERP C[C@H](C[NH2+]CCC1CC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001497963012 902293643 /nfs/dbraw/zinc/29/36/43/902293643.db2.gz NJGWXLJMHPQMHK-TZMCWYRMSA-N 2 0 267.417 1.223 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC/C=C/C[NH2+]C[C@@H](C)OC)CC[N@@H+]1C ZINC001268541475 902535539 /nfs/dbraw/zinc/53/55/39/902535539.db2.gz FESQFEIUULQHPA-VNOZKIMMSA-N 2 0 297.443 1.014 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001482114109 902657924 /nfs/dbraw/zinc/65/79/24/902657924.db2.gz YNQXCAZAUKHUIT-OAHLLOKOSA-N 2 0 295.471 1.860 10 0 CDAERP CN(CC[N@H+](C)CCCF)C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001422172939 902724245 /nfs/dbraw/zinc/72/42/45/902724245.db2.gz CBFMSWATAGQSPR-LSDHHAIUSA-N 2 0 299.434 1.753 10 0 CDAERP Cc1conc1C[NH2+]CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001268949969 903261389 /nfs/dbraw/zinc/26/13/89/903261389.db2.gz HCZVFAFPFNXPKC-UHFFFAOYSA-N 2 0 294.399 1.017 10 0 CDAERP O=C(N[C@@H](C[NH2+]C/C=C\Cl)C1CC1)C12CC[NH+](CC1)C2 ZINC001269134616 903462384 /nfs/dbraw/zinc/46/23/84/903462384.db2.gz BYXFSBDYCPTNTA-DFICIIQISA-N 2 0 297.830 1.319 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CCCF)CCC1 ZINC001272272176 903551280 /nfs/dbraw/zinc/55/12/80/903551280.db2.gz QAIKLVUJXKRYJJ-UONOGXRCSA-N 2 0 299.434 1.705 10 0 CDAERP CC[NH+]1CCN(C[C@H](C)C[NH2+]C2[C@H](C)COC[C@H]2C)CC1 ZINC000924948560 903658352 /nfs/dbraw/zinc/65/83/52/903658352.db2.gz DUISJJHWXSOIIA-BZUAXINKSA-N 2 0 297.487 1.521 10 0 CDAERP CC/C=C/CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001269535417 903902942 /nfs/dbraw/zinc/90/29/42/903902942.db2.gz LHGPZCAWSYLFTA-NNTXTVRGSA-N 2 0 279.428 1.533 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001270122262 904379258 /nfs/dbraw/zinc/37/92/58/904379258.db2.gz YBIUOHIDUAQYSE-KBPBESRZSA-N 2 0 299.434 1.657 10 0 CDAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]CCC(C)(C)C ZINC001270569867 904746198 /nfs/dbraw/zinc/74/61/98/904746198.db2.gz ZZXXGVRJVFGLAC-AWEZNQCLSA-N 2 0 295.471 1.860 10 0 CDAERP CCCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001482432238 905385109 /nfs/dbraw/zinc/38/51/09/905385109.db2.gz FLOLKLAIKPQUOM-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP COCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001271215487 906183417 /nfs/dbraw/zinc/18/34/17/906183417.db2.gz GQBWUQRHMFQHPM-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CCF)C1 ZINC001271700106 906606829 /nfs/dbraw/zinc/60/68/29/906606829.db2.gz PIRGCYLEBISAOV-KGLIPLIRSA-N 2 0 287.423 1.372 10 0 CDAERP CC(C)[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001271930417 906988219 /nfs/dbraw/zinc/98/82/19/906988219.db2.gz QNLGAHACJKLMGQ-CHWSQXEVSA-N 2 0 255.406 1.077 10 0 CDAERP Cn1nc2c(c1C[NH2+]CCCC[N@H+](C)C1CC1)COCC2 ZINC000922172154 921307119 /nfs/dbraw/zinc/30/71/19/921307119.db2.gz QWELUJOHVWGIJY-UHFFFAOYSA-N 2 0 292.427 1.457 10 0 CDAERP CC/C=C\CC[N@H+](C)CCN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001482588229 907486055 /nfs/dbraw/zinc/48/60/55/907486055.db2.gz OYRZVFQUAQLDGZ-XHPSBEMXSA-N 2 0 297.443 1.064 10 0 CDAERP C[C@H](CC[NH2+]Cc1ccccc1F)NC(=O)CC[NH+](C)C ZINC001272995179 921363779 /nfs/dbraw/zinc/36/37/79/921363779.db2.gz VZNQLTCAGPDYLD-CYBMUJFWSA-N 2 0 295.402 1.762 10 0 CDAERP CCC[NH2+]CC[C@H](C)NC(=O)Cn1cncc1C ZINC001482854205 908430177 /nfs/dbraw/zinc/43/01/77/908430177.db2.gz YTGFFNPQCSKIFM-NSHDSACASA-N 2 0 252.362 1.086 10 0 CDAERP CCN(CC[NH2+]CCCF)C(=O)CC1CC[NH+](C)CC1 ZINC001482955621 908534112 /nfs/dbraw/zinc/53/41/12/908534112.db2.gz PFTUITKTWRLWQE-UHFFFAOYSA-N 2 0 287.423 1.516 10 0 CDAERP CCN(CC[NH2+]Cc1cccnc1C)C(=O)CC[NH+](C)C ZINC001482948066 908536326 /nfs/dbraw/zinc/53/63/26/908536326.db2.gz QFKGLRIHPMDCBU-UHFFFAOYSA-N 2 0 292.427 1.280 10 0 CDAERP CCCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001482992453 908657448 /nfs/dbraw/zinc/65/74/48/908657448.db2.gz XMDWIFPKLHJDLA-SZZPACECSA-N 2 0 253.390 1.143 10 0 CDAERP CC(C)(C)[NH+]1CCC(N[C@H]2C[N@@H+]3C[C@@H]2CCC3)CC1 ZINC000925306543 908727786 /nfs/dbraw/zinc/72/77/86/908727786.db2.gz IBMGRYACENMKHK-ZFWWWQNUSA-N 2 0 265.445 1.933 10 0 CDAERP CCC[NH+]1CCC([NH2+][C@@H]2CC(=O)N(CC3CC3)C2)CC1 ZINC000716771369 910684268 /nfs/dbraw/zinc/68/42/68/910684268.db2.gz CSTRVAATHSSDCB-OAHLLOKOSA-N 2 0 279.428 1.461 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)N[C@@H](C)Cn2ccnc2)CC1 ZINC000063645649 1169134392 /nfs/dbraw/zinc/13/43/92/1169134392.db2.gz OGNHWZRIIGJDND-AWEZNQCLSA-N 2 0 292.427 1.756 10 0 CDAERP Cc1nnc(C[NH2+]CC2(C)CC[NH+](C)CC2)s1 ZINC000698366671 911775935 /nfs/dbraw/zinc/77/59/35/911775935.db2.gz LHJSCWALOAHMMS-UHFFFAOYSA-N 2 0 254.403 1.668 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]C/C=C\Cl)CCN1C(=O)CC[NH+](C)C ZINC001483907565 915204646 /nfs/dbraw/zinc/20/46/46/915204646.db2.gz CNRQTLCECAXWOC-ACOKAEEESA-N 2 0 287.835 1.660 10 0 CDAERP CCCC[N@@H+]1CC[C@@](C)(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001484067545 915375404 /nfs/dbraw/zinc/37/54/04/915375404.db2.gz KGMHAUWOIUMFDH-GDBMZVCRSA-N 2 0 281.444 1.709 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CC2CC2)C1 ZINC001484084491 915416879 /nfs/dbraw/zinc/41/68/79/915416879.db2.gz XAGMAYJBQCBRSL-GOEBONIOSA-N 2 0 279.428 1.319 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CCF)C1 ZINC001484356345 915668420 /nfs/dbraw/zinc/66/84/20/915668420.db2.gz CMUCHOLZNCCXBV-CHWSQXEVSA-N 2 0 273.396 1.123 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC1CC1 ZINC001484461991 915789634 /nfs/dbraw/zinc/78/96/34/915789634.db2.gz AGHYNNOBWWRLFB-JKSUJKDBSA-N 2 0 293.455 1.804 10 0 CDAERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1[NH2+]CC1CCC1 ZINC001484904219 916254902 /nfs/dbraw/zinc/25/49/02/916254902.db2.gz JLBBCCVEVMEEHW-GOEBONIOSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](C(=O)NCC[C@H](C)[NH2+]C[C@H]1CCCCO1)[NH+](C)C ZINC001484994512 916379131 /nfs/dbraw/zinc/37/91/31/916379131.db2.gz AAJVRDDGLAQGBP-RRFJBIMHSA-N 2 0 299.459 1.380 10 0 CDAERP CC[C@H](F)C[N@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001485068349 916450979 /nfs/dbraw/zinc/45/09/79/916450979.db2.gz CZFRKKOUYRZPPB-UONOGXRCSA-N 2 0 287.423 1.609 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001485085119 916480799 /nfs/dbraw/zinc/48/07/99/916480799.db2.gz YZMROZKNASCGLD-JKSUJKDBSA-N 2 0 295.471 1.907 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)CC1CC1)[NH+](C)C ZINC001485318247 916803403 /nfs/dbraw/zinc/80/34/03/916803403.db2.gz GKTCIDNIDZAMKM-DGCLKSJQSA-N 2 0 255.406 1.173 10 0 CDAERP CCCC[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001485348802 916868868 /nfs/dbraw/zinc/86/88/68/916868868.db2.gz BFPUUHLWTFDXOD-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001494020790 917154071 /nfs/dbraw/zinc/15/40/71/917154071.db2.gz ODXVQAFTCXKLMT-ZBFHGGJFSA-N 2 0 293.455 1.566 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)CCCCC[NH3+])CC1 ZINC000831431334 936509267 /nfs/dbraw/zinc/50/92/67/936509267.db2.gz FWFSNAUNNUTVMZ-UHFFFAOYSA-N 2 0 269.433 1.742 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001263810358 936514695 /nfs/dbraw/zinc/51/46/95/936514695.db2.gz WCZXEMHWYXINFY-CQSZACIVSA-N 2 0 267.417 1.437 10 0 CDAERP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@@H]2CCC=CO2)CCO1 ZINC000827855488 936609984 /nfs/dbraw/zinc/60/99/84/936609984.db2.gz DWPUSSVHKCYHFF-LSDHHAIUSA-N 2 0 268.401 1.722 10 0 CDAERP CCCC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)[C@H]1C ZINC001486093062 920690744 /nfs/dbraw/zinc/69/07/44/920690744.db2.gz JVSLOIQPIQEZLU-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CC=C(C)C)C[C@@H]1C ZINC001486130759 920736878 /nfs/dbraw/zinc/73/68/78/920736878.db2.gz SRHOJJNAWQIXGD-GJZGRUSLSA-N 2 0 281.444 1.873 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H](C)CC[NH2+]C/C=C\Cl)[NH+](C)C ZINC001273130577 922155856 /nfs/dbraw/zinc/15/58/56/922155856.db2.gz AHEWNYOSXMDASK-YVNFWLBFSA-N 2 0 289.851 1.810 10 0 CDAERP C[C@@H]1CCC[C@](CNC2=[NH+]CCCCN2)([NH+](C)C)C1 ZINC000700228415 922188901 /nfs/dbraw/zinc/18/89/01/922188901.db2.gz PCFHERDBZVUXER-HIFRSBDPSA-N 2 0 266.433 1.826 10 0 CDAERP CN(C[C@H]1CCC[N@H+](C)C1)C[C@@H]1CCCC[NH2+]C1 ZINC000705146265 922941744 /nfs/dbraw/zinc/94/17/44/922941744.db2.gz GPFQCFPRHTYXIL-CABCVRRESA-N 2 0 253.434 1.650 10 0 CDAERP [NH3+]C1CCN(CC[NH2+]C2CCC3(CC3)CC2)CC1 ZINC000709994207 923234599 /nfs/dbraw/zinc/23/45/99/923234599.db2.gz GDGSTSWNRNYEEE-UHFFFAOYSA-N 2 0 251.418 1.722 10 0 CDAERP CCOCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001491202491 936874559 /nfs/dbraw/zinc/87/45/59/936874559.db2.gz CYJYFGOVJOJSDL-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)N2CCCC2)[C@@H](C)C1 ZINC000838894582 936894112 /nfs/dbraw/zinc/89/41/12/936894112.db2.gz HVOCXGFGFDJQHJ-GJZGRUSLSA-N 2 0 281.444 1.661 10 0 CDAERP CCCC[NH2+][C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001491512722 936926747 /nfs/dbraw/zinc/92/67/47/936926747.db2.gz HORYWXOJJSAXRE-CYBMUJFWSA-N 2 0 267.417 1.509 10 0 CDAERP CC[NH2+]CC[C@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001568396769 1169271353 /nfs/dbraw/zinc/27/13/53/1169271353.db2.gz LUKJCUQTVXZHBB-HUUCEWRRSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@]2(C)C[NH+](CCC)C[C@]2(C)C1 ZINC001410175737 925349182 /nfs/dbraw/zinc/34/91/82/925349182.db2.gz GDXSRZXFAVZNRF-CALCHBBNSA-N 2 0 295.471 1.909 10 0 CDAERP C[C@H](F)CC[NH2+][C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001410491393 925821477 /nfs/dbraw/zinc/82/14/77/925821477.db2.gz LJNFVFKHQIZBHO-STQMWFEESA-N 2 0 285.407 1.267 10 0 CDAERP C[NH+](C)C1(CNC(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)CCC1 ZINC001413796988 937048364 /nfs/dbraw/zinc/04/83/64/937048364.db2.gz RNNYVNJKGMZOLP-HIFRSBDPSA-N 2 0 294.443 1.064 10 0 CDAERP CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001568429575 1169284689 /nfs/dbraw/zinc/28/46/89/1169284689.db2.gz NUQOKDGXLJVMJP-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]CCC(F)(F)F)CN1C(=O)CC[NH+](C)C ZINC001410882676 926725581 /nfs/dbraw/zinc/72/55/81/926725581.db2.gz ZRTMCWWDVJDIOG-WDEREUQCSA-N 2 0 295.349 1.470 10 0 CDAERP CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C(F)(F)F ZINC001411015485 926892887 /nfs/dbraw/zinc/89/28/87/926892887.db2.gz LTOQNKNTFMJAEH-MNOVXSKESA-N 2 0 295.349 1.185 10 0 CDAERP CC[NH2+]C[C@@](C)(NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001495247448 926935390 /nfs/dbraw/zinc/93/53/90/926935390.db2.gz CHGGCEOKLOQHGB-GOEBONIOSA-N 2 0 279.428 1.223 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NCCC[NH+](CCC2CC2)C2CC2)C1 ZINC001490394139 927148826 /nfs/dbraw/zinc/14/88/26/927148826.db2.gz QRXDNLWRIUTFHO-HNNXBMFYSA-N 2 0 293.455 1.709 10 0 CDAERP COC(CC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)OC ZINC000851860869 927644588 /nfs/dbraw/zinc/64/45/88/927644588.db2.gz OKYVWGMRLJGKIL-HZSPNIEDSA-N 2 0 286.416 1.179 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCCCCF)C1 ZINC001490814593 930462591 /nfs/dbraw/zinc/46/25/91/930462591.db2.gz CCTSSTZVRHHDRD-UONOGXRCSA-N 2 0 285.407 1.411 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NCCC1CC[NH+](C)CC1 ZINC001136561268 931138527 /nfs/dbraw/zinc/13/85/27/931138527.db2.gz KHYQYPBLIXIERY-CYBMUJFWSA-N 2 0 269.433 1.422 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NCCC1CC[NH+](C)CC1 ZINC001136561269 931138708 /nfs/dbraw/zinc/13/87/08/931138708.db2.gz KHYQYPBLIXIERY-ZDUSSCGKSA-N 2 0 269.433 1.422 10 0 CDAERP C[C@H](C(=O)N[C@@H](C)CC[NH2+]CCF)[NH+]1CCCCCC1 ZINC001320560594 931515929 /nfs/dbraw/zinc/51/59/29/931515929.db2.gz CETSOKJBMWTSQI-UONOGXRCSA-N 2 0 287.423 1.705 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001275298093 931728969 /nfs/dbraw/zinc/72/89/69/931728969.db2.gz UNLOBXOVKYTONX-ZDUSSCGKSA-N 2 0 269.433 1.469 10 0 CDAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]C/C=C\Cl ZINC001441953253 931758975 /nfs/dbraw/zinc/75/89/75/931758975.db2.gz RHIBECNUCXHZTL-USKJLILSSA-N 2 0 273.808 1.175 10 0 CDAERP O=C(NCCC1CC[NH2+]CC1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000846216341 931995966 /nfs/dbraw/zinc/99/59/66/931995966.db2.gz ZPBKSWLENFJVKK-INIZCTEOSA-N 2 0 294.443 1.161 10 0 CDAERP CCN1C[C@H](CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)OC1=O ZINC000846900957 932161571 /nfs/dbraw/zinc/16/15/71/932161571.db2.gz ZAAPZQHWDYWNNF-PIGZVRMJSA-N 2 0 281.400 1.384 10 0 CDAERP C[NH2+]CCCCC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000719680888 932191771 /nfs/dbraw/zinc/19/17/71/932191771.db2.gz ZRBVIQKJLCDOGQ-AWEZNQCLSA-N 2 0 269.433 1.757 10 0 CDAERP [NH3+][C@H]1CCCC[C@H]1C(=O)NCC1([NH3+])CCCCC1 ZINC001118193314 937600825 /nfs/dbraw/zinc/60/08/25/937600825.db2.gz AQRQQNLVTSCTHC-NEPJUHHUSA-N 2 0 253.390 1.282 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)CC[NH+](C)C)C1 ZINC001412697031 932645555 /nfs/dbraw/zinc/64/55/55/932645555.db2.gz RUJWXBJMOZYWLT-CABCVRRESA-N 2 0 283.460 1.668 10 0 CDAERP CN(CCC[NH2+]CCF)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001276271313 932702374 /nfs/dbraw/zinc/70/23/74/932702374.db2.gz DPNQRDNBSYNGCV-UONOGXRCSA-N 2 0 285.407 1.411 10 0 CDAERP CC[C@H](C[C@@](C)(O)CC)[NH2+]CCCN1CC[NH+](CC)CC1 ZINC000924657469 932809799 /nfs/dbraw/zinc/80/97/99/932809799.db2.gz GSGITJQLAVABIV-SJORKVTESA-N 2 0 299.503 1.933 10 0 CDAERP C[C@H](C[NH2+][C@@H]1[C@@H](C)COC[C@H]1C)CN1CC[NH+](C)CC1 ZINC000924949356 932836550 /nfs/dbraw/zinc/83/65/50/932836550.db2.gz LIZBGXOALHJOFW-WCVJEAGWSA-N 2 0 283.460 1.131 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCC1(OC)OC ZINC000925242272 932862884 /nfs/dbraw/zinc/86/28/84/932862884.db2.gz ZBXNMBKRZVTKOD-CHWSQXEVSA-N 2 0 274.405 1.084 10 0 CDAERP C1[C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)C12CC[NH2+]CC2 ZINC000925702559 932929387 /nfs/dbraw/zinc/92/93/87/932929387.db2.gz BPVRAYQHRNCKLO-JYJNAYRXSA-N 3 0 277.456 1.886 10 0 CDAERP c1cn2c(n1)C[C@H]([NH2+][C@@H](C1CC1)[C@@H]1CCCOC1)CC2 ZINC000926231328 932976311 /nfs/dbraw/zinc/97/63/11/932976311.db2.gz ZPFPXXABKKATAM-FMKPAKJESA-N 2 0 275.396 1.993 10 0 CDAERP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)C[C@H]1CCC(=O)N1 ZINC000926646280 933008750 /nfs/dbraw/zinc/00/87/50/933008750.db2.gz WYOHEYDRYJUORV-UONOGXRCSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@@H]1C[N@H+](CCCS(=O)(=O)C(C)(C)C)CC[C@H]1C[NH3+] ZINC000718670325 934830160 /nfs/dbraw/zinc/83/01/60/934830160.db2.gz RNKKMOVJYVRMPJ-OLZOCXBDSA-N 2 0 290.473 1.507 10 0 CDAERP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC[NH2+]CC1 ZINC000400319010 940846869 /nfs/dbraw/zinc/84/68/69/940846869.db2.gz BAXHBGJORQVJAV-NWANDNLSSA-N 3 0 251.418 1.591 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2CSCCS2)C12CCC2 ZINC000405261711 940977778 /nfs/dbraw/zinc/97/77/78/940977778.db2.gz PDYAQYWVCLJQQI-MXWKQRLJSA-N 2 0 258.456 1.695 10 0 CDAERP [NH3+][C@@H]1C[C@H](NCC[NH+]2CCCCCC2)C12CCC2 ZINC000405352514 940984860 /nfs/dbraw/zinc/98/48/60/940984860.db2.gz PBVQKWJPIYQPJO-KGLIPLIRSA-N 2 0 251.418 1.722 10 0 CDAERP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCOCCCO ZINC000423115075 941667742 /nfs/dbraw/zinc/66/77/42/941667742.db2.gz XCIPPWONPOLRCI-KBPBESRZSA-N 2 0 258.406 1.286 10 0 CDAERP C[NH+](C)C1(C(=O)N2CC[C@@H](CC[NH2+]CC3CC3)C2)CCC1 ZINC001280072290 942416799 /nfs/dbraw/zinc/41/67/99/942416799.db2.gz CWPNRKKFGVQCNR-OAHLLOKOSA-N 2 0 293.455 1.709 10 0 CDAERP CC[NH+]1CCC2(CN(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001280394116 942433402 /nfs/dbraw/zinc/43/34/02/942433402.db2.gz AJISNSDXTQMNOP-UHFFFAOYSA-N 2 0 267.417 1.271 10 0 CDAERP C[C@@H](CCC[NH2+]CCCF)NC(=O)C1CC[NH+](C)CC1 ZINC001283232424 942862785 /nfs/dbraw/zinc/86/27/85/942862785.db2.gz LXVQPHFCMUEIAW-ZDUSSCGKSA-N 2 0 287.423 1.562 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2CC[N@H+](C)CC2(C)C)C1 ZINC001362159960 970958907 /nfs/dbraw/zinc/95/89/07/970958907.db2.gz GCNYFRBWHAQIBC-KGLIPLIRSA-N 2 0 281.444 1.659 10 0 CDAERP CC[NH2+]CCCOCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001277608046 943124119 /nfs/dbraw/zinc/12/41/19/943124119.db2.gz CLQMDLLZRNJONG-GJZGRUSLSA-N 2 0 297.443 1.136 10 0 CDAERP CC[N@H+]1CC=C(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001284958803 943302105 /nfs/dbraw/zinc/30/21/05/943302105.db2.gz BVSDPUSQRUHDBD-UHFFFAOYSA-N 2 0 265.401 1.096 10 0 CDAERP CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC000722168134 943962701 /nfs/dbraw/zinc/96/27/01/943962701.db2.gz ZZUIYNWCNAOWSP-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP CC[C@@H](C(=O)NCCC[N@H+](C)CC1CCCC1)[NH+](C)C ZINC001265059771 944217626 /nfs/dbraw/zinc/21/76/26/944217626.db2.gz JEYHSHBAQXMSFR-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CC[N@H+](CCCF)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001265104504 944232745 /nfs/dbraw/zinc/23/27/45/944232745.db2.gz VHVLUZAHFNUPRA-ZDUSSCGKSA-N 2 0 273.396 1.268 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001265301666 944333750 /nfs/dbraw/zinc/33/37/50/944333750.db2.gz PDXIQAFNLULZIT-LLYBFZRZSA-N 2 0 293.455 1.875 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]CCCC(C)(C)C)C2)C1 ZINC001265458439 944395700 /nfs/dbraw/zinc/39/57/00/944395700.db2.gz XDJVCODAKPDKAO-CABCVRRESA-N 2 0 295.471 1.955 10 0 CDAERP CC/C=C\CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001265484558 944406670 /nfs/dbraw/zinc/40/66/70/944406670.db2.gz HYTJFCYUFIGBGZ-MLQDSIPVSA-N 2 0 281.444 1.920 10 0 CDAERP CCOCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001265586607 944437957 /nfs/dbraw/zinc/43/79/57/944437957.db2.gz KHTKOWXBTZKFLN-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP COCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001265783714 944508218 /nfs/dbraw/zinc/50/82/18/944508218.db2.gz PDIOCXAGMWLAJZ-DZGCQCFKSA-N 2 0 297.443 1.134 10 0 CDAERP CCC[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001568876851 1169528681 /nfs/dbraw/zinc/52/86/81/1169528681.db2.gz ATJSOXCOKAKNDU-LLYBFZRZSA-N 2 0 281.444 1.779 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001479315998 971297527 /nfs/dbraw/zinc/29/75/27/971297527.db2.gz WONBOWCWQXXQFR-KFWWJZLASA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)C[NH2+][C@H]1C[C@@H](CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001479347494 971304840 /nfs/dbraw/zinc/30/48/40/971304840.db2.gz LWTVDJQVSMEHCG-FPCVCCKLSA-N 2 0 295.471 2.000 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001479407954 971321706 /nfs/dbraw/zinc/32/17/06/971321706.db2.gz IRUDWCVZFPPEMJ-MGPQQGTHSA-N 2 0 297.418 1.315 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC[N@@H+]1CC ZINC001479637605 971353391 /nfs/dbraw/zinc/35/33/91/971353391.db2.gz WQFYZSCZYASFAY-MJBXVCDLSA-N 2 0 269.433 1.562 10 0 CDAERP CC(C)[N@H+](C)C[C@@H](C)NC(=O)CC[NH+]1CC[C@@H](F)C1 ZINC001362519472 971364998 /nfs/dbraw/zinc/36/49/98/971364998.db2.gz HABKOHLQTCVKEE-CHWSQXEVSA-N 2 0 273.396 1.265 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CCCF)CN1C(=O)C12CC[NH+](CC1)C2 ZINC001278416250 947814952 /nfs/dbraw/zinc/81/49/52/947814952.db2.gz LLRMSMUPKVVHHX-OLZOCXBDSA-N 2 0 283.391 1.021 10 0 CDAERP CC[C@H](C(=O)N[C@H](C[NH2+]CCOC)C(C)(C)C)[NH+](C)C ZINC001279021754 948608285 /nfs/dbraw/zinc/60/82/85/948608285.db2.gz PDONKEKETAEJBO-CHWSQXEVSA-N 2 0 287.448 1.094 10 0 CDAERP C[NH+](C)C1(C(=O)NCC[N@@H+]2CCCC2(C)C)CCCC1 ZINC001362731685 971568100 /nfs/dbraw/zinc/56/81/00/971568100.db2.gz VPCPFFRZIMABRJ-UHFFFAOYSA-N 2 0 281.444 1.851 10 0 CDAERP CCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001480122730 971587234 /nfs/dbraw/zinc/58/72/34/971587234.db2.gz SUSXBXDMOKZSPF-KBPBESRZSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001480167316 971611655 /nfs/dbraw/zinc/61/16/55/971611655.db2.gz KHUKFTPIPXGNHB-HDJSIYSDSA-N 2 0 279.428 1.365 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1C[C@@H]([NH2+]C(C)C)C1 ZINC001480207086 971628793 /nfs/dbraw/zinc/62/87/93/971628793.db2.gz SNORNQDWDLPQBU-XQQFMLRXSA-N 2 0 273.396 1.312 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccn2)C1 ZINC001480233544 971639984 /nfs/dbraw/zinc/63/99/84/971639984.db2.gz FQSBHKHBLSLRRI-GASCZTMLSA-N 2 0 290.411 1.160 10 0 CDAERP CC/C=C\CC[NH2+]C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001569077796 1169632859 /nfs/dbraw/zinc/63/28/59/1169632859.db2.gz JZWYLUHKZPWRLA-GXMNPTEKSA-N 2 0 281.444 1.779 10 0 CDAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC[C@H]1CC(=O)N(C)C1 ZINC001650036088 1169634726 /nfs/dbraw/zinc/63/47/26/1169634726.db2.gz FSKYQPQRWOXLSD-AAEUAGOBSA-N 2 0 290.411 1.368 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001480383326 971696122 /nfs/dbraw/zinc/69/61/22/971696122.db2.gz OIKSRZDUGVMIEY-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)[NH2+][C@H](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001480792999 971881284 /nfs/dbraw/zinc/88/12/84/971881284.db2.gz VPEALMSZUUPPKH-QWHCGFSZSA-N 2 0 255.406 1.221 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H]3[C@@H](CC[NH+]3C)C2)C1 ZINC001363567394 953467039 /nfs/dbraw/zinc/46/70/39/953467039.db2.gz ATJUNMFYYWAHBY-HRCADAONSA-N 2 0 293.455 1.659 10 0 CDAERP CC[N@H+](CCNC(=O)C[NH+](C)C(C)C)C[C@@H]1CC[C@H](C)O1 ZINC001493061499 971935143 /nfs/dbraw/zinc/93/51/43/971935143.db2.gz DZLUKFQZBARXDJ-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP CCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[NH+](C)CC1(C)C ZINC001363637027 953583433 /nfs/dbraw/zinc/58/34/33/953583433.db2.gz YVASAMIYWYGJBD-KBPBESRZSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001569152334 1169694653 /nfs/dbraw/zinc/69/46/53/1169694653.db2.gz ZHVSODRFKBNJBP-STQMWFEESA-N 2 0 255.406 1.031 10 0 CDAERP CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@H](C)[NH+](C)C ZINC001363670094 953631888 /nfs/dbraw/zinc/63/18/88/953631888.db2.gz GHWMRSOJOHOXEH-ZNMIVQPWSA-N 2 0 281.444 1.658 10 0 CDAERP CCCC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001493138431 971959431 /nfs/dbraw/zinc/95/94/31/971959431.db2.gz SPKDEGGDGHCSRC-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C[C@H](O)C2CC2)CC1 ZINC001363194294 971962046 /nfs/dbraw/zinc/96/20/46/971962046.db2.gz BEHZJPYQQVBYHB-UXLLHSPISA-N 2 0 295.471 1.248 10 0 CDAERP CC(C)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001326305090 954311307 /nfs/dbraw/zinc/31/13/07/954311307.db2.gz SFBJWJIZQWDVAX-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP CN(C(=O)C1([NH+](C)C)CCCC1)[C@H]1CCC[N@H+](C)C1 ZINC001294193925 954474954 /nfs/dbraw/zinc/47/49/54/954474954.db2.gz DMJBPZHRVZNSRT-ZDUSSCGKSA-N 2 0 267.417 1.413 10 0 CDAERP CC[C@H](C)C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001493356818 972028154 /nfs/dbraw/zinc/02/81/54/972028154.db2.gz MCIRMEJTMLDGIA-ZFWWWQNUSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H]1CCC[N@@H+]1CCN[C@H]1CC[NH+](C)C(C)(C)C1 ZINC001328688473 955413397 /nfs/dbraw/zinc/41/33/97/955413397.db2.gz BHKLYVFGCDOKMM-KGLIPLIRSA-N 2 0 253.434 1.933 10 0 CDAERP CCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C ZINC001421634872 955445916 /nfs/dbraw/zinc/44/59/16/955445916.db2.gz MFPXBQMKUSFLDA-GJZGRUSLSA-N 2 0 281.444 1.804 10 0 CDAERP CC/C=C\CC[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001491833058 955457643 /nfs/dbraw/zinc/45/76/43/955457643.db2.gz WBJXCJVGEPWXIR-IYKSTZQJSA-N 2 0 281.444 1.733 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001491848000 955467845 /nfs/dbraw/zinc/46/78/45/955467845.db2.gz OUFVRTJHMYAJKH-UONOGXRCSA-N 2 0 297.418 1.268 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCC2([NH2+]CCF)CCC2)CC[N@@H+]1C ZINC001421773927 955536068 /nfs/dbraw/zinc/53/60/68/955536068.db2.gz LTPGTECZHPLNGX-STQMWFEESA-N 2 0 285.407 1.315 10 0 CDAERP CO[C@H](C)C[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001493805934 972117461 /nfs/dbraw/zinc/11/74/61/972117461.db2.gz BLKGSKGCUOGBTR-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP CN(CC(C)(C)C[NH2+]C/C=C\Cl)C(=O)CC[NH+](C)C ZINC001329327699 955826747 /nfs/dbraw/zinc/82/67/47/955826747.db2.gz FYXOVYALEUARFB-VURMDHGXSA-N 2 0 289.851 1.765 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@H]2CSC[C@@]2(C)C1 ZINC001365335641 955917616 /nfs/dbraw/zinc/91/76/16/955917616.db2.gz CVZMPZQRGVISCH-MELADBBJSA-N 2 0 272.458 1.372 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1cnccc1C)[NH+](C)C ZINC001422520412 956115106 /nfs/dbraw/zinc/11/51/06/956115106.db2.gz WYHAWFAEMIYWNF-UKRRQHHQSA-N 2 0 292.427 1.325 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC[C@H]1CC[NH+](CC2CCC2)C1 ZINC001494083311 972173955 /nfs/dbraw/zinc/17/39/55/972173955.db2.gz OOGIYNDSGBCQSC-INIZCTEOSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC[C@@H](C)F)C1)[NH+](C)C ZINC001365856439 956408335 /nfs/dbraw/zinc/40/83/35/956408335.db2.gz WQVXGJCKMGVSPV-SYQHCUMBSA-N 2 0 287.423 1.559 10 0 CDAERP CCC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001480680620 956500302 /nfs/dbraw/zinc/50/03/02/956500302.db2.gz NQHPEVNITOARFP-ZDUSSCGKSA-N 2 0 255.406 1.175 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CC[C@@H](C[NH2+]C/C=C/Cl)C1 ZINC001480680527 956502394 /nfs/dbraw/zinc/50/23/94/956502394.db2.gz VAOMHSBWZUXXSE-LQPUYASZSA-N 2 0 285.819 1.273 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccsc2)C1 ZINC001366156995 956608517 /nfs/dbraw/zinc/60/85/17/956608517.db2.gz UNFWUBHOWRFGSA-OKILXGFUSA-N 2 0 295.452 1.827 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]1CC[N@@H+]1CC(C)C)[NH+](CC)CC ZINC001423131685 956612598 /nfs/dbraw/zinc/61/25/98/956612598.db2.gz BSOLAFGTSIFLOU-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CCC(CC)C[N@@H+]1CC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001423178876 956648550 /nfs/dbraw/zinc/64/85/50/956648550.db2.gz JYWHIPQGUAJOQH-HNNXBMFYSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]C/C=C/Cl ZINC001366275250 956707129 /nfs/dbraw/zinc/70/71/29/956707129.db2.gz POOKQKWNRDOMOU-GNFOSSQUSA-N 2 0 285.819 1.175 10 0 CDAERP CC[N@H+](CCOC)C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001423348248 956733136 /nfs/dbraw/zinc/73/31/36/956733136.db2.gz BOCCIGUMNGOXQK-UHFFFAOYSA-N 2 0 299.459 1.286 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H]1C ZINC001423415997 956768148 /nfs/dbraw/zinc/76/81/48/956768148.db2.gz QWHAWFNUNOOSKB-ZFWWWQNUSA-N 2 0 297.443 1.086 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001423580978 956872477 /nfs/dbraw/zinc/87/24/77/956872477.db2.gz XSPHEZYSYQHSMI-DZGCQCFKSA-N 2 0 287.423 1.657 10 0 CDAERP CC[N@H+](C)CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001423589042 956883525 /nfs/dbraw/zinc/88/35/25/956883525.db2.gz ZUCYUGXSULEEKU-OAHLLOKOSA-N 2 0 281.444 1.517 10 0 CDAERP C[NH+](C)CCC(=O)NCCC[N@H+](C)CC1CCCCC1 ZINC001316845519 957073847 /nfs/dbraw/zinc/07/38/47/957073847.db2.gz JJCQXTITICCBSK-UHFFFAOYSA-N 2 0 283.460 1.957 10 0 CDAERP CC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001317067836 957240703 /nfs/dbraw/zinc/24/07/03/957240703.db2.gz FSAAZRBFSMMDIH-NWRQEBOHSA-N 2 0 279.428 1.485 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC001367043476 957362358 /nfs/dbraw/zinc/36/23/58/957362358.db2.gz GVDPSJDZYFCNCR-KBPBESRZSA-N 2 0 287.423 1.607 10 0 CDAERP CCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001317245483 957375224 /nfs/dbraw/zinc/37/52/24/957375224.db2.gz QKJZNGLCPFPVRE-QWHCGFSZSA-N 2 0 255.406 1.365 10 0 CDAERP CCC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001317339531 957429073 /nfs/dbraw/zinc/42/90/73/957429073.db2.gz SNBOOMJMTGMOKL-AWEZNQCLSA-N 2 0 283.460 1.812 10 0 CDAERP CCCCC[N@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001317445490 957480014 /nfs/dbraw/zinc/48/00/14/957480014.db2.gz ADOZMKAUKOEXIB-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C ZINC001332413299 957554541 /nfs/dbraw/zinc/55/45/41/957554541.db2.gz NLGBCCVEJKQSAE-CYBMUJFWSA-N 2 0 269.433 1.563 10 0 CDAERP CC[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CCC(C)C ZINC001367123192 957692716 /nfs/dbraw/zinc/69/27/16/957692716.db2.gz GGEOHHDKKCODGK-HUUCEWRRSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]CCC1CC1 ZINC001367433424 958010016 /nfs/dbraw/zinc/01/00/16/958010016.db2.gz PSHIMZAWFFWBSQ-ZFWWWQNUSA-N 2 0 281.444 1.565 10 0 CDAERP CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001318805306 958270287 /nfs/dbraw/zinc/27/02/87/958270287.db2.gz ODDPZWBXACSMFE-CABCVRRESA-N 2 0 283.460 1.811 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)CC(C)C ZINC001367801871 958379092 /nfs/dbraw/zinc/37/90/92/958379092.db2.gz HKZZXSKPGXKSNW-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP COC[C@@H](C[N@@H+]1CCCC2(CC[NH2+]CC2)C1)OC ZINC001333622135 958460272 /nfs/dbraw/zinc/46/02/72/958460272.db2.gz KVFATLFOOHPPFL-CYBMUJFWSA-N 2 0 256.390 1.113 10 0 CDAERP CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001319487020 958590637 /nfs/dbraw/zinc/59/06/37/958590637.db2.gz UDWQPOTXNDGFHR-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP CC[N@H+](CCOC)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001368055363 958606878 /nfs/dbraw/zinc/60/68/78/958606878.db2.gz NJQNDKYSQCKZRD-HNNXBMFYSA-N 2 0 297.443 1.040 10 0 CDAERP C[C@H](C[NH2+]CCCF)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001319535142 958615913 /nfs/dbraw/zinc/61/59/13/958615913.db2.gz VHAFEKVGLOJNAC-CYBMUJFWSA-N 2 0 289.439 1.760 10 0 CDAERP CN(C(=O)CC[NH+](C)C)C1C[NH+](CCC2CCCC2)C1 ZINC001368084043 958625561 /nfs/dbraw/zinc/62/55/61/958625561.db2.gz WTSXZERMWYDGEE-UHFFFAOYSA-N 2 0 281.444 1.661 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC1CC1 ZINC001368396788 958810564 /nfs/dbraw/zinc/81/05/64/958810564.db2.gz NDVIXPVLPXKMAW-HZPDHXFCSA-N 2 0 293.455 1.804 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH2+]CC3CCC3)CCC2)C1 ZINC001368482575 958890706 /nfs/dbraw/zinc/89/07/06/958890706.db2.gz CGGIGLGVQQYHHR-OAHLLOKOSA-N 2 0 293.455 1.757 10 0 CDAERP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)CC[NH+](C)C)oc1C ZINC001320536507 959230282 /nfs/dbraw/zinc/23/02/82/959230282.db2.gz ZTTZRGWINLFYAH-LLVKDONJSA-N 2 0 296.415 1.228 10 0 CDAERP C[C@@H](CC[NH2+]CCF)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001320575157 959252729 /nfs/dbraw/zinc/25/27/29/959252729.db2.gz OBWGNANHYMLTHY-ZDUSSCGKSA-N 2 0 295.402 1.816 10 0 CDAERP COC[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001368984901 959364099 /nfs/dbraw/zinc/36/40/99/959364099.db2.gz MHUFPBNAFJFYON-KBPBESRZSA-N 2 0 299.459 1.332 10 0 CDAERP C[NH+](C)CCC(=O)N1CC2(C1)CCC[N@H+](CC1CCC1)C2 ZINC001369158729 959492832 /nfs/dbraw/zinc/49/28/32/959492832.db2.gz YWRJPMLYXJJUHI-UHFFFAOYSA-N 2 0 293.455 1.663 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001369167272 959495048 /nfs/dbraw/zinc/49/50/48/959495048.db2.gz AVOHYKNLMCAHNB-MGPQQGTHSA-N 2 0 299.434 1.703 10 0 CDAERP C[C@@H]1[C@H]([NH2+]Cc2ccsc2)CCN1C(=O)CC[NH+](C)C ZINC001369401225 959663007 /nfs/dbraw/zinc/66/30/07/959663007.db2.gz ZMKJVGWAKSFNMC-TZMCWYRMSA-N 2 0 295.452 1.779 10 0 CDAERP CC[NH2+]C[C@](C)(NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001495293950 972465346 /nfs/dbraw/zinc/46/53/46/972465346.db2.gz PVSMKUBMWFCLKR-DOMZBBRYSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001321948086 960029651 /nfs/dbraw/zinc/02/96/51/960029651.db2.gz XVWSDQWPZXPTMA-LBPRGKRZSA-N 2 0 255.406 1.364 10 0 CDAERP C[C@@H](C[NH2+]C/C=C\Cl)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001322041976 960065073 /nfs/dbraw/zinc/06/50/73/960065073.db2.gz NMBKYSSYSFCQML-OPUZMVJGSA-N 2 0 273.808 1.175 10 0 CDAERP CC(C)CCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001322072932 960074219 /nfs/dbraw/zinc/07/42/19/960074219.db2.gz HTABHNBFJQGDPA-UONOGXRCSA-N 2 0 269.433 1.469 10 0 CDAERP CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1cncs1)[NH+](C)C ZINC001371353506 972484286 /nfs/dbraw/zinc/48/42/86/972484286.db2.gz VGQBCONPNJXIOJ-DGCLKSJQSA-N 2 0 298.456 1.324 10 0 CDAERP CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001495374831 972484929 /nfs/dbraw/zinc/48/49/29/972484929.db2.gz YFEWOIKTMBTSEL-JYJNAYRXSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2conc2C)C1)[NH+](C)C ZINC001370651488 960173880 /nfs/dbraw/zinc/17/38/80/960173880.db2.gz SPGOOYOJBCMLQI-HZSPNIEDSA-N 2 0 294.399 1.060 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001370915478 960235994 /nfs/dbraw/zinc/23/59/94/960235994.db2.gz XUBZBNSJLQCELE-OWCLPIDISA-N 2 0 295.471 1.953 10 0 CDAERP C[C@H](Cn1ccnc1)NC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001433616249 960452428 /nfs/dbraw/zinc/45/24/28/960452428.db2.gz UHSCCMNTHXMWTA-MGPQQGTHSA-N 2 0 278.400 1.508 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](NC(=O)c2ccc(CN(C)C)o2)C1 ZINC001433890332 960735141 /nfs/dbraw/zinc/73/51/41/960735141.db2.gz VMWHQRRJCFRENF-ZDUSSCGKSA-N 2 0 293.411 1.944 10 0 CDAERP c1cc(C[NH2+]CCc2ccccn2)n(-c2cc[nH+]cc2)n1 ZINC001560249570 960905853 /nfs/dbraw/zinc/90/58/53/960905853.db2.gz SNWONKGHHPUZAU-UHFFFAOYSA-N 2 0 279.347 1.995 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CC[NH+](CC3CCC3)C2)C1 ZINC001418689766 960909948 /nfs/dbraw/zinc/90/99/48/960909948.db2.gz ZDFSZLLCDASMQD-HZPDHXFCSA-N 2 0 293.455 1.566 10 0 CDAERP CC(C)[N@H+](CCNC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001418769476 961002058 /nfs/dbraw/zinc/00/20/58/961002058.db2.gz NUXCMYOVDUWOKL-UHFFFAOYSA-N 2 0 293.455 1.851 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001418957845 961193611 /nfs/dbraw/zinc/19/36/11/961193611.db2.gz CICCPLDVZVGDHG-INIZCTEOSA-N 2 0 289.423 1.719 10 0 CDAERP CC[C@H](C(=O)NC[C@H](CC)[NH2+]Cc1ccns1)[NH+](C)C ZINC001419205584 961503289 /nfs/dbraw/zinc/50/32/89/961503289.db2.gz DPNVRFZCDXOMOO-WCQYABFASA-N 2 0 298.456 1.468 10 0 CDAERP COCC[C@H](C)[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001434487000 961513448 /nfs/dbraw/zinc/51/34/48/961513448.db2.gz GDDZXPUKMLKHPL-ZDUSSCGKSA-N 2 0 270.417 1.644 10 0 CDAERP CC[C@H](F)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001419606726 961861735 /nfs/dbraw/zinc/86/17/35/961861735.db2.gz JGIBVCGIWZGRLH-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@H](C[NH2+]CC1CCCCC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001419743859 962063330 /nfs/dbraw/zinc/06/33/30/962063330.db2.gz IZRFRIRLUIHAKO-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccns1 ZINC001419907335 962223983 /nfs/dbraw/zinc/22/39/83/962223983.db2.gz STQSCZZWFNJJMU-RYUDHWBXSA-N 2 0 296.440 1.079 10 0 CDAERP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCC1CC1 ZINC001419935705 962258077 /nfs/dbraw/zinc/25/80/77/962258077.db2.gz GTVYVPSMAZKJHP-CABCVRRESA-N 2 0 281.444 1.469 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CCOC(C)C)[C@@H]1C)[NH+](C)C ZINC001436481406 962284271 /nfs/dbraw/zinc/28/42/71/962284271.db2.gz LEXQEIQEQXBARO-QLFBSQMISA-N 2 0 299.459 1.331 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CC1CCC1 ZINC001437125194 962656432 /nfs/dbraw/zinc/65/64/32/962656432.db2.gz BEIDRJPVUPAWCH-WFASDCNBSA-N 2 0 279.428 1.223 10 0 CDAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccns1 ZINC001437202277 962730147 /nfs/dbraw/zinc/73/01/47/962730147.db2.gz GKKCRECDKSEYGR-VXGBXAGGSA-N 2 0 296.440 1.079 10 0 CDAERP C[NH+](C)C1(C(=O)NC[C@@H]2C[NH+]3CCC2CC3)CCCC1 ZINC001420411130 962876321 /nfs/dbraw/zinc/87/63/21/962876321.db2.gz DFRIRMWXDBTCMO-CQSZACIVSA-N 2 0 279.428 1.319 10 0 CDAERP CC[C@@H](C(=O)NCC[N@H+](C)CC1CC(C)(C)C1)[NH+](C)C ZINC001437516751 962980995 /nfs/dbraw/zinc/98/09/95/962980995.db2.gz IOPVUWYWWOVAHI-AWEZNQCLSA-N 2 0 283.460 1.811 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001420531926 963021282 /nfs/dbraw/zinc/02/12/82/963021282.db2.gz AHEDRKWNNNWCDI-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001420534262 963026608 /nfs/dbraw/zinc/02/66/08/963026608.db2.gz GVRPYZWIKZBXHN-CYBMUJFWSA-N 2 0 295.452 1.638 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC001437665904 963111952 /nfs/dbraw/zinc/11/19/52/963111952.db2.gz ZQDXTLWVAUDXON-STQMWFEESA-N 2 0 273.396 1.267 10 0 CDAERP CCCC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001420698784 963188496 /nfs/dbraw/zinc/18/84/96/963188496.db2.gz JIYAVHCSTRXSFZ-UHFFFAOYSA-N 2 0 279.428 1.463 10 0 CDAERP C[NH+](C)CC1(C(=O)NC2C[NH+](CC3CC(C)(C)C3)C2)CC1 ZINC001438079940 963311294 /nfs/dbraw/zinc/31/12/94/963311294.db2.gz OIVPTAHXBUNWPQ-UHFFFAOYSA-N 2 0 293.455 1.565 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NCC[C@H]2CC[NH+](CCF)C2)C1 ZINC001420882377 963327081 /nfs/dbraw/zinc/32/70/81/963327081.db2.gz ZJZKYPNRMVQNCI-KGLIPLIRSA-N 2 0 285.407 1.126 10 0 CDAERP CC[N@@H+]1CC[C@H](CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001420885812 963332636 /nfs/dbraw/zinc/33/26/36/963332636.db2.gz IEEVEZAUMDJRGF-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP CN(C(=O)CC[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CCCF)C1 ZINC001438236923 963377066 /nfs/dbraw/zinc/37/70/66/963377066.db2.gz VHEBYMNCEWENHV-CABCVRRESA-N 2 0 299.434 1.753 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC1(C)CC[NH+](CCCF)CC1 ZINC001421157546 963478233 /nfs/dbraw/zinc/47/82/33/963478233.db2.gz PCBHPOADVURTJJ-UHFFFAOYSA-N 2 0 287.423 1.657 10 0 CDAERP C[NH+](C)CCC(=O)NCC1C[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC001421172666 963483523 /nfs/dbraw/zinc/48/35/23/963483523.db2.gz NZUBKNGEZWTHGN-VNQPRFMTSA-N 2 0 293.455 1.422 10 0 CDAERP C[C@@H](C[NH2+]Cc1nccs1)N(C)C(=O)CC[NH+](C)C ZINC001438671254 963520194 /nfs/dbraw/zinc/52/01/94/963520194.db2.gz GBZMLLZEAFIVAJ-NSHDSACASA-N 2 0 284.429 1.031 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001438686379 963524471 /nfs/dbraw/zinc/52/44/71/963524471.db2.gz UKCBOOHUVKPPLB-STQMWFEESA-N 2 0 287.423 1.513 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001438686376 963525265 /nfs/dbraw/zinc/52/52/65/963525265.db2.gz UKCBOOHUVKPPLB-OLZOCXBDSA-N 2 0 287.423 1.513 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C[NH2+]CC1CCC1)C1CC1)[NH+](C)C ZINC001439484065 963772111 /nfs/dbraw/zinc/77/21/11/963772111.db2.gz LBSJCOSPVNMAHT-LSDHHAIUSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)CC[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001439631176 963824599 /nfs/dbraw/zinc/82/45/99/963824599.db2.gz WZFJBLFNDAGZPR-UHFFFAOYSA-N 2 0 293.455 1.899 10 0 CDAERP CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001439931107 963897900 /nfs/dbraw/zinc/89/79/00/963897900.db2.gz CDMNRUGQDORXIL-RDJZCZTQSA-N 2 0 293.455 1.566 10 0 CDAERP CC(C)[N@@H+]1CCC(F)(F)[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001439971781 963907211 /nfs/dbraw/zinc/90/72/11/963907211.db2.gz KWTLPMQBQZPBDX-GFCCVEGCSA-N 2 0 291.386 1.420 10 0 CDAERP C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@@H](C)[NH2+]CCF ZINC001440798335 964185867 /nfs/dbraw/zinc/18/58/67/964185867.db2.gz JSKVFKIFYKEVBI-CHWSQXEVSA-N 2 0 285.407 1.315 10 0 CDAERP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH+](C)CC1CCC1 ZINC001441005698 964324701 /nfs/dbraw/zinc/32/47/01/964324701.db2.gz REIIMHBPDANPGF-HIFRSBDPSA-N 2 0 281.444 1.565 10 0 CDAERP CO[C@H](C)C[N@@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001441264826 964440731 /nfs/dbraw/zinc/44/07/31/964440731.db2.gz CIHFZXSOHGSJAK-KGLIPLIRSA-N 2 0 299.459 1.188 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cncs2)C1 ZINC001441360965 964474207 /nfs/dbraw/zinc/47/42/07/964474207.db2.gz PGJUZTIBUXMMLF-LBPRGKRZSA-N 2 0 296.440 1.175 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCC(F)(F)F)C1)[NH+](C)C ZINC001441506482 964558564 /nfs/dbraw/zinc/55/85/64/964558564.db2.gz HTSNXXOMVRRPRB-AXFHLTTASA-N 2 0 295.349 1.516 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001441666670 964644618 /nfs/dbraw/zinc/64/46/18/964644618.db2.gz BRUXBJWJBQHJCX-HUUCEWRRSA-N 2 0 281.444 1.804 10 0 CDAERP CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001441692836 964652535 /nfs/dbraw/zinc/65/25/35/964652535.db2.gz YUGBTZTWBBKWLK-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP Cc1ccc(C[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C(C)C)cc1 ZINC001442057743 964850827 /nfs/dbraw/zinc/85/08/27/964850827.db2.gz CARQMPPHMVXCTJ-HNNXBMFYSA-N 2 0 291.439 1.930 10 0 CDAERP CO[C@H](C)C[NH+]1CCC([C@@H](C)NC(=O)CC[NH+](C)C)CC1 ZINC001442216040 964925608 /nfs/dbraw/zinc/92/56/08/964925608.db2.gz WSFOUXQRJXAVJP-ZIAGYGMSSA-N 2 0 299.459 1.190 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+](CCC(C)C)C1 ZINC001443829857 965626375 /nfs/dbraw/zinc/62/63/75/965626375.db2.gz CEFKXSBGXWQGEM-OAHLLOKOSA-N 2 0 283.460 1.907 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCC(C)C ZINC001443921836 965668355 /nfs/dbraw/zinc/66/83/55/965668355.db2.gz YMUWKPWPBXRCAM-QLFBSQMISA-N 2 0 283.460 1.857 10 0 CDAERP CC(C)[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001444166996 965750017 /nfs/dbraw/zinc/75/00/17/965750017.db2.gz YXPGJAZZQVIBCY-GJZGRUSLSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001444513107 965857912 /nfs/dbraw/zinc/85/79/12/965857912.db2.gz WHCZFRAMBPTWII-RDBSUJKOSA-N 2 0 269.433 1.515 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001444669057 965918991 /nfs/dbraw/zinc/91/89/91/965918991.db2.gz IZSAGEYGKYJRQG-UONOGXRCSA-N 2 0 269.433 1.517 10 0 CDAERP C[C@H](C[NH2+]CC1CC(C)C1)N(C)C(=O)C[NH+]1CCCC1 ZINC001444725154 965933733 /nfs/dbraw/zinc/93/37/33/965933733.db2.gz LFQHAQRHGBWBEY-SHARSMKWSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001445082800 966092584 /nfs/dbraw/zinc/09/25/84/966092584.db2.gz JZDMREZTWQYHIL-OLZOCXBDSA-N 2 0 273.396 1.076 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccon1 ZINC001445101814 966100480 /nfs/dbraw/zinc/10/04/80/966100480.db2.gz AGQFPHVINAZQQG-OCCSQVGLSA-N 2 0 294.399 1.001 10 0 CDAERP CCC(CC)C[NH2+]C[C@H](C)NC(=O)[C@H]1CN(CC)CCO1 ZINC001445658091 966267202 /nfs/dbraw/zinc/26/72/02/966267202.db2.gz PTGIMRSRSIQJQH-DZGCQCFKSA-N 2 0 299.459 1.238 10 0 CDAERP Cc1cccnc1C[NH2+]C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001445651409 966267603 /nfs/dbraw/zinc/26/76/03/966267603.db2.gz ZPWDAUQMBFXCSL-AWEZNQCLSA-N 2 0 290.411 1.080 10 0 CDAERP [NH3+]Cc1ccc(CNC(=O)[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC001349420942 966345063 /nfs/dbraw/zinc/34/50/63/966345063.db2.gz QOXWAZPOOHGSFY-UONOGXRCSA-N 2 0 261.369 1.279 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH2+]CC(C)C)[C@H](C)C1 ZINC001349486861 966363036 /nfs/dbraw/zinc/36/30/36/966363036.db2.gz IRFIBPATKDKRNI-KGLIPLIRSA-N 2 0 269.433 1.421 10 0 CDAERP CC(C)[NH2+]C[C@@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001445960055 966401803 /nfs/dbraw/zinc/40/18/03/966401803.db2.gz JBFGHBAAKDBSCY-LSDHHAIUSA-N 2 0 281.444 1.754 10 0 CDAERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@@H](C)[NH2+]CCF ZINC001447838602 966898870 /nfs/dbraw/zinc/89/88/70/966898870.db2.gz CZTNJQMGZKEEQY-CHWSQXEVSA-N 2 0 287.423 1.703 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC1CCCC1 ZINC001447926869 966931401 /nfs/dbraw/zinc/93/14/01/966931401.db2.gz BKTGRQSDOMMUMR-KGLIPLIRSA-N 2 0 283.460 2.000 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1nccs1 ZINC001447926447 966931545 /nfs/dbraw/zinc/93/15/45/966931545.db2.gz VDZPWDWBXRYCRM-VXGBXAGGSA-N 2 0 298.456 1.468 10 0 CDAERP CC(C)C[N@H+](C)[C@@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001448103703 966998520 /nfs/dbraw/zinc/99/85/20/966998520.db2.gz FERFUNBFAIQQBU-AWEZNQCLSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@H](F)CC[NH+]1CC([C@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001448317367 967071113 /nfs/dbraw/zinc/07/11/13/967071113.db2.gz BSEYBXIMKFHMRS-STQMWFEESA-N 2 0 299.434 1.513 10 0 CDAERP CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1conc1C)[NH+](C)C ZINC001448728233 967230240 /nfs/dbraw/zinc/23/02/40/967230240.db2.gz QMFSNBXHVCPAQS-FZMZJTMJSA-N 2 0 296.415 1.260 10 0 CDAERP CC[C@@H](F)C[NH2+][C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001448765892 967244592 /nfs/dbraw/zinc/24/45/92/967244592.db2.gz DOBKFJRMLCHLCZ-QWHCGFSZSA-N 2 0 285.407 1.267 10 0 CDAERP CCN1CC[C@@H]1C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC001544080527 967336433 /nfs/dbraw/zinc/33/64/33/967336433.db2.gz SYCNMXPHEDPPCN-MELADBBJSA-N 2 0 267.417 1.460 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C[NH2+]CC1CC1)C(C)(C)C)[NH+](C)C ZINC001449310954 967429395 /nfs/dbraw/zinc/42/93/95/967429395.db2.gz REZWMKAIWYKVIZ-KGLIPLIRSA-N 2 0 283.460 1.857 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC1CCC1 ZINC001480486718 967960426 /nfs/dbraw/zinc/96/04/26/967960426.db2.gz NYZSMJDUVIXVEJ-OCCSQVGLSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@@H](CCNC(=O)c1ccc(C[NH+]2CCCC2)o1)[NH+](C)C ZINC001453168276 968256304 /nfs/dbraw/zinc/25/63/04/968256304.db2.gz OZYAEXNTPOIFIM-ZDUSSCGKSA-N 2 0 293.411 1.945 10 0 CDAERP C[NH+](C)C1(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)CCCC1 ZINC001455416170 968706919 /nfs/dbraw/zinc/70/69/19/968706919.db2.gz KMIUJKFOXNEQQV-UONOGXRCSA-N 2 0 279.428 1.556 10 0 CDAERP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001529327407 969030943 /nfs/dbraw/zinc/03/09/43/969030943.db2.gz ISJOZNBSIRTHSW-XHSDSOJGSA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)NCC[NH+]2CCC(C)(C)C2)C1 ZINC001457035222 969095409 /nfs/dbraw/zinc/09/54/09/969095409.db2.gz RCBAPCYQWOTHRR-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001466009604 969913197 /nfs/dbraw/zinc/91/31/97/969913197.db2.gz QGMPZKYEOSGGNW-QLFBSQMISA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CC[C@H]2C[C@H](C)C[NH+]2C1 ZINC001361741075 970480962 /nfs/dbraw/zinc/48/09/62/970480962.db2.gz GJBYUDDBKONQGR-JONQDZQNSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NCC[C@H](C)[NH2+]Cc1cscn1 ZINC001371887876 972661791 /nfs/dbraw/zinc/66/17/91/972661791.db2.gz MHGFAHSUJNWHDT-LBPRGKRZSA-N 2 0 298.456 1.468 10 0 CDAERP CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCC1CC1)[NH+](C)C ZINC001372531526 973000947 /nfs/dbraw/zinc/00/09/47/973000947.db2.gz VSUWBTXTMVWXLB-HOTGVXAUSA-N 2 0 295.471 1.953 10 0 CDAERP CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001373121301 973272560 /nfs/dbraw/zinc/27/25/60/973272560.db2.gz HJXMUJXMSLIUOS-HNNXBMFYSA-N 2 0 283.460 1.907 10 0 CDAERP CC[C@@H](F)C[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001497651281 973449192 /nfs/dbraw/zinc/44/91/92/973449192.db2.gz WAENSCCPFKHPJH-IJWDBEHRSA-N 2 0 271.380 1.091 10 0 CDAERP C[C@H]([NH2+]C/C=C\CNC(=O)CC[NH+](C)C)c1ccccc1 ZINC001497672186 973459750 /nfs/dbraw/zinc/45/97/50/973459750.db2.gz AULIVJAZHISIMS-LZNQSLFOSA-N 2 0 289.423 1.961 10 0 CDAERP C[N@H+](CCF)C[C@@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001418025002 973534735 /nfs/dbraw/zinc/53/47/35/973534735.db2.gz YMNIGWHZPQLAKE-CABCVRRESA-N 2 0 299.434 1.468 10 0 CDAERP CCN(C(=O)[C@H](F)C[NH+](CC)CC)[C@@H]1CC[N@H+](CC)C1 ZINC001373707951 973580286 /nfs/dbraw/zinc/58/02/86/973580286.db2.gz KTERZCFAHCBTGP-ZIAGYGMSSA-N 2 0 287.423 1.609 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCC(F)(F)F ZINC001373735878 973606561 /nfs/dbraw/zinc/60/65/61/973606561.db2.gz BLYRTUCCFZQGMV-MNOVXSKESA-N 2 0 295.349 1.517 10 0 CDAERP CC(C)CC[NH2+][C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001418228054 973682841 /nfs/dbraw/zinc/68/28/41/973682841.db2.gz QMKIGKQLFGSWJB-HIFRSBDPSA-N 2 0 281.444 1.469 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1ccns1)[NH+](C)C ZINC001418241482 973689677 /nfs/dbraw/zinc/68/96/77/973689677.db2.gz DQQUIKVOOWJOKR-CMPLNLGQSA-N 2 0 284.429 1.078 10 0 CDAERP CCC[NH2+]CCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001498587709 973990094 /nfs/dbraw/zinc/99/00/94/973990094.db2.gz SRYNPISOCFRKAA-CABCVRRESA-N 2 0 281.444 1.851 10 0 CDAERP CC(C)[NH2+]CCCN(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001498584135 973990573 /nfs/dbraw/zinc/99/05/73/973990573.db2.gz KRECSSMYHGWUCV-UHFFFAOYSA-N 2 0 299.459 1.191 10 0 CDAERP Cc1cc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)sn1 ZINC001374873719 974161705 /nfs/dbraw/zinc/16/17/05/974161705.db2.gz RZTKBERHTXVGPW-AAEUAGOBSA-N 2 0 296.440 1.140 10 0 CDAERP CC(C)C[C@@H](C)C[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001499792641 974303956 /nfs/dbraw/zinc/30/39/56/974303956.db2.gz QRLGCTRCAQPDTM-HUUCEWRRSA-N 2 0 295.471 1.763 10 0 CDAERP C[N@H+](CC(=O)N1CCC[C@H]1C[NH2+]CCF)C1CCC1 ZINC001499900400 974329479 /nfs/dbraw/zinc/32/94/79/974329479.db2.gz IYSBCGGFDUDLGH-ZDUSSCGKSA-N 2 0 271.380 1.021 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CC3)C2)C1 ZINC001375571205 974427855 /nfs/dbraw/zinc/42/78/55/974427855.db2.gz DQUKQOQKULOROX-VNQPRFMTSA-N 2 0 293.455 1.613 10 0 CDAERP CC[C@H](C(=O)N1CCC([N@H+](CC)CCOC)CC1)[NH+](C)C ZINC001375601965 974432543 /nfs/dbraw/zinc/43/25/43/974432543.db2.gz QCWOOMVMWPKBFO-OAHLLOKOSA-N 2 0 299.459 1.286 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC[N@@H+]1CC1CC1 ZINC001375608568 974433912 /nfs/dbraw/zinc/43/39/12/974433912.db2.gz LSYUARLKCROCFY-ARFHVFGLSA-N 2 0 295.471 1.952 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CC2)[C@@H]1C)[NH+](C)C ZINC001375656219 974447016 /nfs/dbraw/zinc/44/70/16/974447016.db2.gz ACKDENAYCLBMPH-SNPRPXQTSA-N 2 0 281.444 1.562 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001375765486 974472474 /nfs/dbraw/zinc/47/24/74/974472474.db2.gz RUKLPOLQHFCNFJ-HRCADAONSA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@]1(C)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001375893672 974504075 /nfs/dbraw/zinc/50/40/75/974504075.db2.gz FYIJNVGVMFEODO-WBVHZDCISA-N 2 0 295.471 1.957 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001376154810 974587049 /nfs/dbraw/zinc/58/70/49/974587049.db2.gz HWCFSCDMXIYWMB-GJZGRUSLSA-N 2 0 281.444 1.707 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001376287973 974623222 /nfs/dbraw/zinc/62/32/22/974623222.db2.gz ALEIRKKUUNHBDN-HZPDHXFCSA-N 2 0 295.471 1.909 10 0 CDAERP C[NH+](C)CCC(=O)N1CC2(C1)CC[NH+](CC1CCC1)CC2 ZINC001376623382 974700008 /nfs/dbraw/zinc/70/00/08/974700008.db2.gz JUFRBEMRQFMMDK-UHFFFAOYSA-N 2 0 293.455 1.663 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]C/C=C/Cl ZINC001376728534 974747465 /nfs/dbraw/zinc/74/74/65/974747465.db2.gz CJGFJVJNUWVHTI-MVTQWGDUSA-N 2 0 287.835 1.708 10 0 CDAERP C[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccccn1 ZINC001377012783 974852227 /nfs/dbraw/zinc/85/22/27/974852227.db2.gz KJQIHPNWCDFLFG-ZFWWWQNUSA-N 2 0 290.411 1.160 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001377363618 974989154 /nfs/dbraw/zinc/98/91/54/974989154.db2.gz YUTMEEBEYPWLAG-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)=CC[N@@H+](C)[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001505988889 975073136 /nfs/dbraw/zinc/07/31/36/975073136.db2.gz OFXMJJAYKNWMDP-AWEZNQCLSA-N 2 0 281.444 1.731 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001506883522 975246387 /nfs/dbraw/zinc/24/63/87/975246387.db2.gz MNRISFQUCNSEIH-AIEDFZFUSA-N 2 0 299.434 1.559 10 0 CDAERP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1oc(C)nc1C ZINC001378303528 975325662 /nfs/dbraw/zinc/32/56/62/975325662.db2.gz PDQSKAJKBBFWQZ-ZDUSSCGKSA-N 2 0 296.415 1.228 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cncs1 ZINC001378341303 975333973 /nfs/dbraw/zinc/33/39/73/975333973.db2.gz LXDAFMXIHMGBAK-VXGBXAGGSA-N 2 0 296.440 1.079 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]1CCCCC[N@@H+]1CCOC)[NH+](C)C ZINC001378518213 975372906 /nfs/dbraw/zinc/37/29/06/975372906.db2.gz JUEKGTDXMZDZCR-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP CCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001507327896 975417240 /nfs/dbraw/zinc/41/72/40/975417240.db2.gz LONPNTDLSVQESN-UONOGXRCSA-N 2 0 279.428 1.461 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+][C@@H](C)COC)C(C)(C)C1 ZINC001507451283 975474729 /nfs/dbraw/zinc/47/47/29/975474729.db2.gz ONHZYUWSRWVVHZ-KBPBESRZSA-N 2 0 299.459 1.190 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]CCCF)C(C)(C)C)C1 ZINC001508024392 975579761 /nfs/dbraw/zinc/57/97/61/975579761.db2.gz FOFZSHUEKDSGOH-CHWSQXEVSA-N 2 0 287.423 1.418 10 0 CDAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1CCN(CCF)C1 ZINC001405021595 975595165 /nfs/dbraw/zinc/59/51/65/975595165.db2.gz ZDWORLDDMYWUCP-ZDUSSCGKSA-N 2 0 299.434 1.799 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccsc1)NC(=O)CCC[NH+](C)C ZINC001401698172 975809029 /nfs/dbraw/zinc/80/90/29/975809029.db2.gz AURLONBJRCZUOW-LBPRGKRZSA-N 2 0 283.441 1.684 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001379435006 975840929 /nfs/dbraw/zinc/84/09/29/975840929.db2.gz ROYPPLBRRAVORX-CABCVRRESA-N 2 0 283.460 2.000 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCCC1 ZINC001405772800 975858122 /nfs/dbraw/zinc/85/81/22/975858122.db2.gz IHLMEOAXOIUXCO-CQSZACIVSA-N 2 0 299.434 1.849 10 0 CDAERP C[C@H](C[NH2+]Cc1cncs1)N(C)C(=O)C[NH+]1CCCC1 ZINC001405882551 975922576 /nfs/dbraw/zinc/92/25/76/975922576.db2.gz FCRAASSICDGVAK-GFCCVEGCSA-N 2 0 296.440 1.175 10 0 CDAERP CC(C)CCC[N@@H+]1CCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001405914426 975932515 /nfs/dbraw/zinc/93/25/15/975932515.db2.gz USTOLEARJQQGQV-HNNXBMFYSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)C[NH2+][C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001406021020 975971058 /nfs/dbraw/zinc/97/10/58/975971058.db2.gz QSUOTYWUDZKHBV-HOTGVXAUSA-N 2 0 295.471 1.715 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]1CC[N@@H+]1CCC(C)(C)C)[NH+](C)C ZINC001401892160 975979610 /nfs/dbraw/zinc/97/96/10/975979610.db2.gz GXUMFSADHPBQLT-UONOGXRCSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)CC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001389803655 975997091 /nfs/dbraw/zinc/99/70/91/975997091.db2.gz BIBHIBWCHLXWSM-AWEZNQCLSA-N 2 0 279.428 1.319 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC[C@@H](C)F)C1)[NH+](C)C ZINC001398550317 976035830 /nfs/dbraw/zinc/03/58/30/976035830.db2.gz ADHMAXGSNKILGI-LPWJVIDDSA-N 2 0 273.396 1.312 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCCCO2)C1)[NH+](C)C ZINC001398663052 976097204 /nfs/dbraw/zinc/09/72/04/976097204.db2.gz LJXWWJSWJUOBIZ-LXTVHRRPSA-N 2 0 297.443 1.133 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001398668782 976100361 /nfs/dbraw/zinc/10/03/61/976100361.db2.gz WBXLJZSTWLSMOD-RQJABVFESA-N 2 0 285.407 1.313 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]C/C=C\Cl)CCN1C(=O)C[NH+]1CCCC1 ZINC001402063451 976105373 /nfs/dbraw/zinc/10/53/73/976105373.db2.gz PENAJWYUICNEDR-BVUKWYMNSA-N 2 0 299.846 1.804 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@]1(C)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001402187103 976168425 /nfs/dbraw/zinc/16/84/25/976168425.db2.gz FNDGZOCZXWSXQG-ZBFHGGJFSA-N 2 0 299.434 1.659 10 0 CDAERP CC[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C(F)(F)F ZINC001380146315 976260841 /nfs/dbraw/zinc/26/08/41/976260841.db2.gz FAQDFONXSJCNBF-MNOVXSKESA-N 2 0 295.349 1.327 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC001380251876 976314385 /nfs/dbraw/zinc/31/43/85/976314385.db2.gz PJXCOBNNQCYDQR-UHFFFAOYSA-N 2 0 295.471 1.907 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1([NH2+]CC2CC2)CCC1 ZINC001402543242 976352780 /nfs/dbraw/zinc/35/27/80/976352780.db2.gz CJDZSLKWBHRCLE-OAHLLOKOSA-N 2 0 293.455 1.899 10 0 CDAERP Cc1cnc(C[NH2+][C@H](C)CNC(=O)C[NH+]2CCCC2)s1 ZINC001399126875 976354183 /nfs/dbraw/zinc/35/41/83/976354183.db2.gz VVVJNGOLQOLCAS-LLVKDONJSA-N 2 0 296.440 1.142 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]2C[NH+](CCF)CC[C@H]21 ZINC001402588264 976378531 /nfs/dbraw/zinc/37/85/31/976378531.db2.gz UHHXJWHZTCGYDA-LSDHHAIUSA-N 2 0 299.434 1.609 10 0 CDAERP C[NH+](C)CCC(=O)NCC1([NH2+]CC=C(Cl)Cl)CC1 ZINC001406953352 976489082 /nfs/dbraw/zinc/48/90/82/976489082.db2.gz JBBVCERYPQCZBA-UHFFFAOYSA-N 2 0 294.226 1.496 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCOC ZINC001380754928 976535554 /nfs/dbraw/zinc/53/55/54/976535554.db2.gz BXOKYWGUFYKMLY-LSDHHAIUSA-N 2 0 297.443 1.040 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C ZINC001380772118 976546443 /nfs/dbraw/zinc/54/64/43/976546443.db2.gz WOTGXFLYNPXYOS-LSDHHAIUSA-N 2 0 281.444 1.659 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccsc1 ZINC001402902735 976573909 /nfs/dbraw/zinc/57/39/09/976573909.db2.gz BWQJIXMZFMSXPT-GXTWGEPZSA-N 2 0 295.452 1.827 10 0 CDAERP C[C@@H]([NH2+]CCC1CC1)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001407559402 976696544 /nfs/dbraw/zinc/69/65/44/976696544.db2.gz SDBPWWIHIQRFCM-ZBFHGGJFSA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)OCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001403117420 976735407 /nfs/dbraw/zinc/73/54/07/976735407.db2.gz BHTGFEMSEHKXFM-RBSFLKMASA-N 2 0 299.459 1.188 10 0 CDAERP CC(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001403131320 976748990 /nfs/dbraw/zinc/74/89/90/976748990.db2.gz VFKXAVRDZNRUSZ-DZGCQCFKSA-N 2 0 281.444 1.421 10 0 CDAERP CC[C@H](C(=O)NC[C@H]1CC[N@H+](CCC(C)C)C1)[NH+](C)C ZINC001399959598 976776126 /nfs/dbraw/zinc/77/61/26/976776126.db2.gz YJVKCBPGFKXLTG-HUUCEWRRSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)C[NH+]1CC([C@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001403320835 976880117 /nfs/dbraw/zinc/88/01/17/976880117.db2.gz JTFWJNLRCIMILO-GOEBONIOSA-N 2 0 295.471 1.953 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[NH+](CC2CC2)CC1(C)C ZINC001403356540 976904965 /nfs/dbraw/zinc/90/49/65/976904965.db2.gz IPVODUDHMANKEY-AWEZNQCLSA-N 2 0 281.444 1.565 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@@H]1[C@H]2C[NH+](CC(C)C)C[C@H]21 ZINC001403408445 976937907 /nfs/dbraw/zinc/93/79/07/976937907.db2.gz JBLMCLJHBHMJEA-QKDCVEJESA-N 2 0 281.444 1.278 10 0 CDAERP CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001403414304 976940924 /nfs/dbraw/zinc/94/09/24/976940924.db2.gz TYCFVRWOVIVRSH-HIFRSBDPSA-N 2 0 281.444 1.898 10 0 CDAERP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC[C@H](C)F ZINC001391536523 976945385 /nfs/dbraw/zinc/94/53/85/976945385.db2.gz HNUXAPOFLDTVHV-IHRRRGAJSA-N 2 0 285.407 1.360 10 0 CDAERP CC(C)C[NH2+][C@H](C)[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CCO1 ZINC001403425686 976946951 /nfs/dbraw/zinc/94/69/51/976946951.db2.gz UMVPZVSAFLEYFH-HUUCEWRRSA-N 2 0 299.459 1.188 10 0 CDAERP CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001391692665 977048715 /nfs/dbraw/zinc/04/87/15/977048715.db2.gz GDNXPIMPRBJHAH-ZFWWWQNUSA-N 2 0 281.444 1.898 10 0 CDAERP CCC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)C(C)C)C[C@@]2(C)C1 ZINC001381949737 977094753 /nfs/dbraw/zinc/09/47/53/977094753.db2.gz UQVBAILCBPOMDY-CALCHBBNSA-N 2 0 295.471 1.907 10 0 CDAERP C[N@H+](CCCC(C)(C)C)CCNC(=O)C[NH+]1CCCC1 ZINC001403767909 977181377 /nfs/dbraw/zinc/18/13/77/977181377.db2.gz STVKLSVITSFRBO-UHFFFAOYSA-N 2 0 283.460 1.957 10 0 CDAERP CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1cncs1)[NH+](C)C ZINC001392099850 977218908 /nfs/dbraw/zinc/21/89/08/977218908.db2.gz LHLMEFAWFDEWTB-YPMHNXCESA-N 2 0 298.456 1.420 10 0 CDAERP CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]Cc1cnoc1C ZINC001400915580 977245069 /nfs/dbraw/zinc/24/50/69/977245069.db2.gz KWDZKBIGBHQNOL-AWEZNQCLSA-N 2 0 296.415 1.308 10 0 CDAERP CC(C)OCC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001569847761 1170015354 /nfs/dbraw/zinc/01/53/54/1170015354.db2.gz XLXYRNQNWCEWBQ-CABCVRRESA-N 2 0 299.459 1.047 10 0 CDAERP CC(C)[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001392537983 977474185 /nfs/dbraw/zinc/47/41/85/977474185.db2.gz SURSXWUQYVIDDT-HUUCEWRRSA-N 2 0 283.460 2.000 10 0 CDAERP CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001393228096 977738162 /nfs/dbraw/zinc/73/81/62/977738162.db2.gz MOWSKUYGRAHNGN-LBPRGKRZSA-N 2 0 291.386 1.422 10 0 CDAERP CC(C)CC[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001393614002 977861918 /nfs/dbraw/zinc/86/19/18/977861918.db2.gz SHLHPSIMCVTTLQ-OAHLLOKOSA-N 2 0 283.460 1.907 10 0 CDAERP Cc1nc(C[NH2+][C@@H](C)CCNC(=O)[C@H]2CCC[N@@H+]2C)co1 ZINC001393810834 977924486 /nfs/dbraw/zinc/92/44/86/977924486.db2.gz JHAVCBIMJIVKQQ-SMDDNHRTSA-N 2 0 294.399 1.062 10 0 CDAERP C[C@H](NC(=O)CC[NH+](C)C)C1C[NH+](CC2CCCC2)C1 ZINC001394251740 978118023 /nfs/dbraw/zinc/11/80/23/978118023.db2.gz NYVOXPIGXNDUQH-ZDUSSCGKSA-N 2 0 281.444 1.565 10 0 CDAERP CC[N@@H+]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001394281031 978124185 /nfs/dbraw/zinc/12/41/85/978124185.db2.gz OLOBNAHWISOCRW-LSDHHAIUSA-N 2 0 295.471 1.953 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@H]2C[N@H+](CC3CC3)CC2(C)C)CCC1 ZINC001394285745 978125274 /nfs/dbraw/zinc/12/52/74/978125274.db2.gz LXUFECGTDMHPHR-AWEZNQCLSA-N 2 0 293.455 1.707 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC(C)C ZINC001394494040 978182506 /nfs/dbraw/zinc/18/25/06/978182506.db2.gz AWJFJRTUPASETL-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]21 ZINC001394691662 978232914 /nfs/dbraw/zinc/23/29/14/978232914.db2.gz RKPFVKLEUSIROV-OWCLPIDISA-N 2 0 295.471 1.952 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)CCC1CC1 ZINC001675044340 1174067815 /nfs/dbraw/zinc/06/78/15/1174067815.db2.gz WPOURPJCCUMRTF-OCCSQVGLSA-N 2 0 267.417 1.175 10 0 CDAERP CCOCC[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001676815775 1174277480 /nfs/dbraw/zinc/27/74/80/1174277480.db2.gz NZVQHOFOQNUWHE-GOEBONIOSA-N 2 0 297.443 1.088 10 0 CDAERP CCCC[NH2+][C@H](C)[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001570606797 1170208000 /nfs/dbraw/zinc/20/80/00/1170208000.db2.gz CEHYBZVHLTVJJU-CHWSQXEVSA-N 2 0 269.433 1.754 10 0 CDAERP C[C@@H]1C[N@H+](CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC000157306639 342481344 /nfs/dbraw/zinc/48/13/44/342481344.db2.gz JAXPALGGHPHACY-YHUYYLMFSA-N 2 0 284.444 1.985 10 0 CDAERP COC[C@H](C)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000650723596 398161974 /nfs/dbraw/zinc/16/19/74/398161974.db2.gz QNLLVLHFUQOCFQ-LXTVHRRPSA-N 2 0 270.417 1.630 10 0 CDAERP CC(C)[NH2+][C@H]1CCc2c(ccc(=O)n2CC[NH+](C)C)C1 ZINC000096067610 185085089 /nfs/dbraw/zinc/08/50/89/185085089.db2.gz BBXRTZBVTVMUDV-AWEZNQCLSA-N 2 0 277.412 1.265 10 0 CDAERP C[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379679698 342140455 /nfs/dbraw/zinc/14/04/55/342140455.db2.gz JTJAGSVQSDBUFN-IIAWOOMASA-N 2 0 289.423 1.764 10 0 CDAERP COC(=O)C[C@@H]1CC[C@@H]([NH2+]C2CC([NH+](C)C)C2)[C@H]1C ZINC000567123336 361889254 /nfs/dbraw/zinc/88/92/54/361889254.db2.gz DUFOHANXEAVADU-HRDMENRUSA-N 2 0 268.401 1.646 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)CC(=O)Nc1cccc(C)c1 ZINC000629391617 361917395 /nfs/dbraw/zinc/91/73/95/361917395.db2.gz BRPKWOJEURHIHZ-CQSZACIVSA-N 2 0 293.411 1.538 10 0 CDAERP COc1cc2c(cc1C[NH2+]CCOCCC[NH3+])O[C@@H](C)C2 ZINC000629398745 361932439 /nfs/dbraw/zinc/93/24/39/361932439.db2.gz XYELNGMGYUDCAY-LBPRGKRZSA-N 2 0 294.395 1.474 10 0 CDAERP [NH3+]CCCOCC[NH2+]C[C@H]1CCOc2ccccc21 ZINC000629401071 361939803 /nfs/dbraw/zinc/93/98/03/361939803.db2.gz OJOPUYIRRBRRGK-CYBMUJFWSA-N 2 0 264.369 1.508 10 0 CDAERP Cc1ncc(C[NH2+]C2CCC(C[NH+](C)C)CC2)cn1 ZINC000344847061 282153337 /nfs/dbraw/zinc/15/33/37/282153337.db2.gz MIIJIOFEOJCLKO-UHFFFAOYSA-N 2 0 262.401 1.995 10 0 CDAERP CO[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)C1 ZINC000234766163 539043468 /nfs/dbraw/zinc/04/34/68/539043468.db2.gz NHOBYCMSOQKLJP-HUUCEWRRSA-N 2 0 283.460 1.560 10 0 CDAERP CC(C)(C)OC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C1CC[NH2+]CC1 ZINC000669385049 539072638 /nfs/dbraw/zinc/07/26/38/539072638.db2.gz VLTPSFFMAYCCTP-CHWSQXEVSA-N 2 0 283.416 1.489 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000594293812 342888481 /nfs/dbraw/zinc/88/84/81/342888481.db2.gz WZJFOAFTRDZTCA-QLFBSQMISA-N 2 0 296.459 1.643 10 0 CDAERP [NH3+][C@@H](C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000334244209 539063398 /nfs/dbraw/zinc/06/33/98/539063398.db2.gz ZGWDEFWDNKMRIW-ZBFHGGJFSA-N 2 0 273.380 1.289 10 0 CDAERP COC(=O)CC1CC([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000594508960 342914724 /nfs/dbraw/zinc/91/47/24/342914724.db2.gz FTSJZVSZGIBEBO-JSTMSRMQSA-N 2 0 254.374 1.258 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000186392543 539147875 /nfs/dbraw/zinc/14/78/75/539147875.db2.gz CNBJCTMIANDLLY-UONOGXRCSA-N 2 0 284.448 1.452 10 0 CDAERP C[C@H]([NH2+]CCCC[NH+](C)C)c1cccc(-n2cnnn2)c1 ZINC000045663490 539155661 /nfs/dbraw/zinc/15/56/61/539155661.db2.gz OJBBSFNHIYITNG-ZDUSSCGKSA-N 2 0 288.399 1.655 10 0 CDAERP CC[NH+](CC)CCC[NH2+][C@H](C)[C@H]1C[C@H]1C(=O)OC ZINC000594929284 342974467 /nfs/dbraw/zinc/97/44/67/342974467.db2.gz TVGZHBDGCDHQFW-JHJVBQTASA-N 2 0 256.390 1.506 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000594945038 342980328 /nfs/dbraw/zinc/98/03/28/342980328.db2.gz LRGSMEMUITVUMK-BFHYXJOUSA-N 2 0 282.428 1.896 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000594946988 342980962 /nfs/dbraw/zinc/98/09/62/342980962.db2.gz VPRYXPLQFBOTQB-IACUBPJLSA-N 2 0 268.401 1.648 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000594951155 342982213 /nfs/dbraw/zinc/98/22/13/342982213.db2.gz RXXIKQPMIWRAKD-YOMYCBHVSA-N 2 0 268.401 1.646 10 0 CDAERP COC[C@H]1C[N@H+](Cc2ccncc2)CC12CC[NH2+]CC2 ZINC000169789817 362141621 /nfs/dbraw/zinc/14/16/21/362141621.db2.gz JIHRPJIUWAGTOT-OAHLLOKOSA-N 2 0 275.396 1.530 10 0 CDAERP OC[C@@H]1C[NH2+]C[C@H]1C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000169788991 362135910 /nfs/dbraw/zinc/13/59/10/362135910.db2.gz ALQZDUZAXYMILI-RDJZCZTQSA-N 2 0 292.398 1.866 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC[NH2+]CC1 ZINC000082241796 342375230 /nfs/dbraw/zinc/37/52/30/342375230.db2.gz DVWGXNFIWKXOCJ-CYBMUJFWSA-N 2 0 253.390 1.073 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H]1CCc2c1cccc2F ZINC000629528912 362154605 /nfs/dbraw/zinc/15/46/05/362154605.db2.gz MWKYCLYMEAHHGT-CQSZACIVSA-N 2 0 252.333 1.639 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H]1CCCc2cc(OC)ccc21 ZINC000629529138 362155443 /nfs/dbraw/zinc/15/54/43/362155443.db2.gz SJWDGYSAOOMWQP-MRXNPFEDSA-N 2 0 278.396 1.898 10 0 CDAERP C(CN1CCCC[C@@H]1[C@H]1CCC[NH2+]1)OC1CCOCC1 ZINC000629533526 362171675 /nfs/dbraw/zinc/17/16/75/362171675.db2.gz GGDTVCQIBNAAHH-HZPDHXFCSA-N 2 0 282.428 1.789 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@H](C)CC ZINC000354938607 365789015 /nfs/dbraw/zinc/78/90/15/365789015.db2.gz QDPILFHJYNSMQS-KGLIPLIRSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000262251908 344696908 /nfs/dbraw/zinc/69/69/08/344696908.db2.gz DQJNSPZJLABAGW-ILXRZTDVSA-N 2 0 281.444 1.598 10 0 CDAERP C[NH+](C)Cc1cc(C[NH2+]Cc2cn[nH]c2)ccc1F ZINC000604417136 344889245 /nfs/dbraw/zinc/88/92/45/344889245.db2.gz HBWBUPITIPBETA-UHFFFAOYSA-N 2 0 262.332 1.900 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000618561226 344999095 /nfs/dbraw/zinc/99/90/95/344999095.db2.gz VNOLTACCJVVQPB-GJZGRUSLSA-N 2 0 294.443 1.350 10 0 CDAERP CN(CCC[NH2+]Cc1cc2n(n1)CCCC2)CC[NH+](C)C ZINC000623087564 345200430 /nfs/dbraw/zinc/20/04/30/345200430.db2.gz YNHBNODTUHAMGT-UHFFFAOYSA-N 2 0 293.459 1.193 10 0 CDAERP CC(C)C(=O)NCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623338832 346067558 /nfs/dbraw/zinc/06/75/58/346067558.db2.gz XEKUOPQLMQIHBE-LBPRGKRZSA-N 2 0 255.406 1.221 10 0 CDAERP C[C@@H](NC(=O)[C@@H]([NH3+])c1cccc(Cl)c1)[C@H](C)[NH3+] ZINC000669520131 482555368 /nfs/dbraw/zinc/55/53/68/482555368.db2.gz DWSHCAYHXKBQTF-RNSXUZJQSA-N 2 0 255.749 1.192 10 0 CDAERP O=C(C[N@@H+]1CCCCC[C@H]1C1CC[NH2+]CC1)N1CCCC1 ZINC000085403787 179053359 /nfs/dbraw/zinc/05/33/59/179053359.db2.gz CYSVVXSCOQVAPC-INIZCTEOSA-N 2 0 293.455 1.853 10 0 CDAERP CC(C)c1nc2c(n1C[C@H]1CCC[N@H+](C)C1)CC[NH2+]C2 ZINC000085572776 179098551 /nfs/dbraw/zinc/09/85/51/179098551.db2.gz WUMSZICNUVCPNS-ZDUSSCGKSA-N 2 0 276.428 1.994 10 0 CDAERP CCCCOC[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000227889403 346533616 /nfs/dbraw/zinc/53/36/16/346533616.db2.gz LHFOAULZMMVJBL-ZFWWWQNUSA-N 2 0 270.417 1.238 10 0 CDAERP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000085630985 179108066 /nfs/dbraw/zinc/10/80/66/179108066.db2.gz QHRACFIATWKKSY-KFWWJZLASA-N 2 0 295.471 1.416 10 0 CDAERP CO[C@H]1CCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000230313832 346549667 /nfs/dbraw/zinc/54/96/67/346549667.db2.gz VUPWGDFJZLZDHL-INIZCTEOSA-N 2 0 260.381 1.943 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]C[C@@]2(O)CCSC2)CC1(C)C ZINC000623439056 346756841 /nfs/dbraw/zinc/75/68/41/346756841.db2.gz UIGHZNXQOCWWTP-YPMHNXCESA-N 2 0 258.431 1.317 10 0 CDAERP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CC1=O ZINC000623435758 346738982 /nfs/dbraw/zinc/73/89/82/346738982.db2.gz RSQVYANMNYKMKU-SYQHCUMBSA-N 2 0 279.428 1.458 10 0 CDAERP C[C@@H]1CN[C@H](C2CC2)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086259099 179256390 /nfs/dbraw/zinc/25/63/90/179256390.db2.gz QVMQZKROWHIWRL-DOMZBBRYSA-N 2 0 251.418 1.401 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H]2CCO)CC1(C)C ZINC000623497251 347604986 /nfs/dbraw/zinc/60/49/86/347604986.db2.gz CGKDSEPPIQJWKW-IHRRRGAJSA-N 2 0 254.418 2.000 10 0 CDAERP C[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086259599 179257528 /nfs/dbraw/zinc/25/75/28/179257528.db2.gz BDPKXMXATXACGV-DAXOMENPSA-N 2 0 263.429 1.686 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)[C@@]2(O)CCOC2)CC1(C)C ZINC000623557343 347630431 /nfs/dbraw/zinc/63/04/31/347630431.db2.gz SSEIPXQHXZYPQN-CZUORRHYSA-N 2 0 284.444 1.626 10 0 CDAERP C[C@@H]1C[N@H+](CCCN[C@H]2CC[NH+](C)C(C)(C)C2)CCCO1 ZINC000623507397 347608790 /nfs/dbraw/zinc/60/87/90/347608790.db2.gz HDZGTQGESWUCQB-CVEARBPZSA-N 2 0 297.487 1.950 10 0 CDAERP C[NH+](C)C[C@H](c1ccc(O)cc1)C1(O)CC[NH+](C)CC1 ZINC000090502258 179994001 /nfs/dbraw/zinc/99/40/01/179994001.db2.gz FHCBKBSMAQMHET-OAHLLOKOSA-N 2 0 278.396 1.494 10 0 CDAERP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCOCCC[NH3+] ZINC000629536699 362950692 /nfs/dbraw/zinc/95/06/92/362950692.db2.gz GWXJKQIAZJMPLT-ZFWWWQNUSA-N 2 0 266.385 1.718 10 0 CDAERP C[C@H]1CCC[N@H+](CCOC2CCOCC2)[C@@H]1CC[NH3+] ZINC000629534653 362958993 /nfs/dbraw/zinc/95/89/93/362958993.db2.gz ASJQJGIHUKQWRD-DZGCQCFKSA-N 2 0 270.417 1.631 10 0 CDAERP COc1cc2c(cc1F)CC[C@H]2[NH2+]CCOCCC[NH3+] ZINC000629540685 362963680 /nfs/dbraw/zinc/96/36/80/362963680.db2.gz WQFGSSYEXYDFMH-CQSZACIVSA-N 2 0 282.359 1.777 10 0 CDAERP Cc1nc2c(s1)[C@@H]([NH2+]CCOCCC[NH3+])CCC2 ZINC000629542336 362966617 /nfs/dbraw/zinc/96/66/17/362966617.db2.gz YKPGEOBRJBQVSA-NSHDSACASA-N 2 0 269.414 1.784 10 0 CDAERP C[C@@H]([NH2+]CCOCCC[NH3+])c1ccc2c(c1)COC2 ZINC000629542151 362966649 /nfs/dbraw/zinc/96/66/49/362966649.db2.gz WBIKSINELQMFIB-GFCCVEGCSA-N 2 0 264.369 1.733 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)C1CCCC1 ZINC000355194534 365982702 /nfs/dbraw/zinc/98/27/02/365982702.db2.gz GUDKDHDXJHJJJS-HNNXBMFYSA-N 2 0 281.444 1.851 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)CC[C@H]2CCC[NH2+]C2)CC[N@@H+]1C ZINC000621651093 350689994 /nfs/dbraw/zinc/68/99/94/350689994.db2.gz HDYBOPAJSXVLMT-KFWWJZLASA-N 2 0 281.444 1.707 10 0 CDAERP Cc1nn(C)c(C)c1CCC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629576254 363034878 /nfs/dbraw/zinc/03/48/78/363034878.db2.gz SOVPKXPGFJTVCY-HNNXBMFYSA-N 2 0 294.443 1.016 10 0 CDAERP C[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)C1CC[NH+](C)CC1 ZINC000624222394 351490687 /nfs/dbraw/zinc/49/06/87/351490687.db2.gz WYTDWKZVUGBWJW-CQDKDKBSSA-N 2 0 252.402 1.874 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)[C@@H]1CC1(C)C ZINC000487295273 366035618 /nfs/dbraw/zinc/03/56/18/366035618.db2.gz CWERYXCIXCGMKU-RDBSUJKOSA-N 2 0 253.434 1.647 10 0 CDAERP CC[C@@H](C(=O)NCc1ccccc1C[NH2+]C)[NH+](C)C ZINC000629616028 363205142 /nfs/dbraw/zinc/20/51/42/363205142.db2.gz VMCNMMIBYWHJSM-AWEZNQCLSA-N 2 0 263.385 1.362 10 0 CDAERP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CC2=CCCOC2)C1 ZINC000629650343 363250729 /nfs/dbraw/zinc/25/07/29/363250729.db2.gz RYBDESJOJNMHFE-OAGGEKHMSA-N 2 0 280.412 1.694 10 0 CDAERP O=C(CC[C@H]1CCC[NH2+]C1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000250799637 366101222 /nfs/dbraw/zinc/10/12/22/366101222.db2.gz BEIOJUSUNHLJJK-CABCVRRESA-N 2 0 279.428 1.463 10 0 CDAERP C/C=C\C[C@@H]1CCC[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000629673913 363321593 /nfs/dbraw/zinc/32/15/93/363321593.db2.gz ORNOWRNCANPRNZ-INQOVCNISA-N 2 0 293.455 1.862 10 0 CDAERP CCCN(C(=O)[C@H]1CCC[C@@H]([NH3+])C1)C1CC[NH2+]CC1 ZINC000236823032 283035723 /nfs/dbraw/zinc/03/57/23/283035723.db2.gz DGRIOWUROFDUSS-QWHCGFSZSA-N 2 0 267.417 1.495 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000572640011 363436156 /nfs/dbraw/zinc/43/61/56/363436156.db2.gz PNKWVYJHNYBEBC-MGPQQGTHSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCC2([NH3+])CCCCC2)CC[NH2+]1 ZINC000336082049 291044305 /nfs/dbraw/zinc/04/43/05/291044305.db2.gz QLCITQHUENITEY-RYUDHWBXSA-N 2 0 253.390 1.152 10 0 CDAERP CC(C)=CC[N@@H+](C)CCCNC(=O)CCc1nccn1C ZINC001660235503 1172182190 /nfs/dbraw/zinc/18/21/90/1172182190.db2.gz WQYJOTDRFIHOCS-UHFFFAOYSA-N 2 0 292.427 1.757 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634765376 358498586 /nfs/dbraw/zinc/49/85/86/358498586.db2.gz QMLMVNYMZDRYLI-DZKIICNBSA-N 2 0 279.428 1.367 10 0 CDAERP CO[C@@H]1CCC[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000643543939 355996441 /nfs/dbraw/zinc/99/64/41/355996441.db2.gz IXGZDNZYCWVGAH-ODZFXCKXSA-N 2 0 295.471 1.750 10 0 CDAERP CC[NH+](CC)CCSCC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000186691600 355953104 /nfs/dbraw/zinc/95/31/04/355953104.db2.gz CUBFJSQHZBFHFY-QWHCGFSZSA-N 2 0 287.473 1.176 10 0 CDAERP O=C(N1CC[C@H]([NH+]2CCCC2)C1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634767322 358507223 /nfs/dbraw/zinc/50/72/23/358507223.db2.gz RPSOBEUGTHACTB-DZKIICNBSA-N 2 0 277.412 1.073 10 0 CDAERP CCC[N@H+](C)CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001660414196 1172210953 /nfs/dbraw/zinc/21/09/53/1172210953.db2.gz QXODUUARDVAGCS-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP O=C(CC[C@@H]1CCC[NH2+]C1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000043589537 356775701 /nfs/dbraw/zinc/77/57/01/356775701.db2.gz BEIOJUSUNHLJJK-GJZGRUSLSA-N 2 0 279.428 1.463 10 0 CDAERP CC[C@H](CN1CCCC1)[NH2+]C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000634704623 357381689 /nfs/dbraw/zinc/38/16/89/357381689.db2.gz MYTSZQRBYCOXEN-OWCLPIDISA-N 2 0 284.444 1.362 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(C)C ZINC001660529076 1172231564 /nfs/dbraw/zinc/23/15/64/1172231564.db2.gz LZDNNPFWTPRNKL-HUUCEWRRSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)CC1(C[NH3+])CCCCC1)C2 ZINC000634744328 358193585 /nfs/dbraw/zinc/19/35/85/358193585.db2.gz VBKMGVQHNLBLCM-IYBDPMFKSA-N 2 0 293.455 1.744 10 0 CDAERP C[NH+](C)CC(=O)N1CC[C@@H](c2cccc(F)c2)[C@@H]([NH3+])C1 ZINC000616569295 358200085 /nfs/dbraw/zinc/20/00/85/358200085.db2.gz IEEBZEKQTKPCQJ-KBPBESRZSA-N 2 0 279.359 1.031 10 0 CDAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCn1ccnn1 ZINC000126648510 358214171 /nfs/dbraw/zinc/21/41/71/358214171.db2.gz BGHUTTAQKNYZRS-KGLIPLIRSA-N 2 0 265.405 1.569 10 0 CDAERP C[C@@H](C[NH2+]C1CCC([NH3+])CC1)C[NH+]1CCCCC1 ZINC000094087966 295969660 /nfs/dbraw/zinc/96/96/60/295969660.db2.gz CMBSZYAKXURQSG-NFOMZHRRSA-N 3 0 253.434 1.968 10 0 CDAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H]2CCC[NH+](C)C2)C1 ZINC000123495092 358605721 /nfs/dbraw/zinc/60/57/21/358605721.db2.gz MJCWLDRNZKCGLH-ILXRZTDVSA-N 2 0 296.459 1.356 10 0 CDAERP C[NH2+][C@H](C)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000054076204 358701274 /nfs/dbraw/zinc/70/12/74/358701274.db2.gz SJVILZHSZSDKEA-NXEZZACHSA-N 2 0 255.387 1.075 10 0 CDAERP C[C@H](C[NH3+])C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000054338668 358716459 /nfs/dbraw/zinc/71/64/59/358716459.db2.gz QMGYIKWJVIFQJM-GFCCVEGCSA-N 2 0 261.369 1.816 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000261927993 359091913 /nfs/dbraw/zinc/09/19/13/359091913.db2.gz YNACWNXUGVSMMR-ZNMIVQPWSA-N 2 0 281.444 1.755 10 0 CDAERP COC(=O)[C@H]1CC12CC[NH+](C[C@@]1(C)CC[NH2+]C1)CC2 ZINC000261952970 359102577 /nfs/dbraw/zinc/10/25/77/359102577.db2.gz GFYZOBBCKYOCMI-OCCSQVGLSA-N 2 0 266.385 1.261 10 0 CDAERP C[N@H+](CC(C)(C)CN1CCOCC1)C[C@@]1(C)CC[NH2+]C1 ZINC000261984176 359114485 /nfs/dbraw/zinc/11/44/85/359114485.db2.gz JNQRVTOAALKSFU-INIZCTEOSA-N 2 0 283.460 1.276 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000347061007 359140549 /nfs/dbraw/zinc/14/05/49/359140549.db2.gz YHUYCCSRJDTNFD-LSDHHAIUSA-N 2 0 281.444 1.804 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000580429125 359613083 /nfs/dbraw/zinc/61/30/83/359613083.db2.gz RFMKJMTXQUTJSD-PNESKVBLSA-N 2 0 253.390 1.247 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCOc1ccc(F)c(F)c1 ZINC000422956068 359715474 /nfs/dbraw/zinc/71/54/74/359715474.db2.gz KLIACKXWOLPIQY-NSHDSACASA-N 2 0 288.338 1.687 10 0 CDAERP CC[NH2+]CCN[C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000423235522 359759545 /nfs/dbraw/zinc/75/95/45/359759545.db2.gz NGOZVKBINIOCTO-JKSUJKDBSA-N 2 0 277.412 1.687 10 0 CDAERP CN(C)c1ccnc(N2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000153115872 359719750 /nfs/dbraw/zinc/71/97/50/359719750.db2.gz ODJUUCIVEVBTFA-UHFFFAOYSA-N 2 0 289.427 1.855 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+]C[C@@](C)(O)C[NH+](C)C)C12CCC2 ZINC000224754725 359735785 /nfs/dbraw/zinc/73/57/85/359735785.db2.gz PBOYTDLSRJMAHO-BFHYXJOUSA-N 2 0 270.417 1.236 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1COc2ccccc2O1 ZINC000250519517 283479313 /nfs/dbraw/zinc/47/93/13/283479313.db2.gz AGAYICWWCFPXQB-AVGNSLFASA-N 2 0 262.353 1.543 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=[NH2+])NCc2ccccc2)C1 ZINC000058329422 359790673 /nfs/dbraw/zinc/79/06/73/359790673.db2.gz UMEKCGFBJGBWHR-CQSZACIVSA-N 2 0 260.385 1.642 10 0 CDAERP C(C[NH+]1CCCC1)OC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000336802656 359844891 /nfs/dbraw/zinc/84/48/91/359844891.db2.gz VKMKVFWUQCBKIA-CQSZACIVSA-N 2 0 268.401 1.352 10 0 CDAERP C(C1CC[NH+](C[C@@H]2COCCO2)CC1)[NH+]1CCCC1 ZINC000336798896 359856500 /nfs/dbraw/zinc/85/65/00/359856500.db2.gz GSOMQCITWOETOX-OAHLLOKOSA-N 2 0 268.401 1.210 10 0 CDAERP C[C@H](CNC(=O)N(C)CCC[NH+](C)C)[N@H+](C)C1CC1 ZINC000185987577 363678643 /nfs/dbraw/zinc/67/86/43/363678643.db2.gz JIVGRQPWVPPGOM-GFCCVEGCSA-N 2 0 270.421 1.062 10 0 CDAERP [NH3+]C1CCN(Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000336523940 363691013 /nfs/dbraw/zinc/69/10/13/363691013.db2.gz KUBIAJSNHZVECM-UHFFFAOYSA-N 2 0 256.353 2.000 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CC2(O)CCCC2)CC1 ZINC000336839310 359922619 /nfs/dbraw/zinc/92/26/19/359922619.db2.gz JOZWENLRCXYOGQ-MRXNPFEDSA-N 2 0 295.471 1.393 10 0 CDAERP C[C@H]1C[C@H](N(C)C(=O)CCC2CC[NH2+]CC2)CC[N@@H+]1C ZINC000237560486 359935408 /nfs/dbraw/zinc/93/54/08/359935408.db2.gz MHGPYHKZSMLRJJ-DZGCQCFKSA-N 2 0 281.444 1.707 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000062940228 360020645 /nfs/dbraw/zinc/02/06/45/360020645.db2.gz SIGMNMWROHSXGP-HNNXBMFYSA-N 2 0 273.380 1.456 10 0 CDAERP CC[C@@]1(C(=O)N(C)C2CC[NH+](C(C)C)CC2)CC[NH2+]C1 ZINC000062894910 360026093 /nfs/dbraw/zinc/02/60/93/360026093.db2.gz BFPKWWHKYXTJBM-MRXNPFEDSA-N 2 0 281.444 1.707 10 0 CDAERP CC[NH+]1CCN(CCCC[NH2+]Cc2cnc(C)o2)CC1 ZINC000628202261 360240744 /nfs/dbraw/zinc/24/07/44/360240744.db2.gz MZWSJOCDZIZUEY-UHFFFAOYSA-N 2 0 280.416 1.490 10 0 CDAERP O=C(NC1CC([NH+]2CCCCC2)C1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000335475307 360332483 /nfs/dbraw/zinc/33/24/83/360332483.db2.gz AFWZBJNWDUNGPH-UWTIDYAISA-N 2 0 277.412 1.119 10 0 CDAERP c1cc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)no1 ZINC000634986325 360605114 /nfs/dbraw/zinc/60/51/14/360605114.db2.gz SJJAFZUKXNMFRZ-UHFFFAOYSA-N 2 0 279.384 1.655 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)NC2CC[NH+](C3CC3)CC2)C[NH2+]1 ZINC000626929319 360647443 /nfs/dbraw/zinc/64/74/43/360647443.db2.gz UFWIYDKSYCKMPG-YPMHNXCESA-N 2 0 280.416 1.053 10 0 CDAERP c1cc2c(cc1NCC13CC(C1)C[NH2+]3)OCC[NH2+]C2 ZINC000634998050 360633544 /nfs/dbraw/zinc/63/35/44/360633544.db2.gz ZVVDSIZALHGCAW-UHFFFAOYSA-N 2 0 259.353 1.333 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000626951568 360695501 /nfs/dbraw/zinc/69/55/01/360695501.db2.gz ASTWZNCXKUBROJ-BMFZPTHFSA-N 2 0 296.459 1.358 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000626952521 360698034 /nfs/dbraw/zinc/69/80/34/360698034.db2.gz RTFVNALZJGSUSJ-CHWSQXEVSA-N 2 0 282.432 1.301 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CC[NH+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000366176905 361081563 /nfs/dbraw/zinc/08/15/63/361081563.db2.gz CSUSPRHVFWTOCV-QGPPMGRFSA-N 2 0 266.429 1.954 10 0 CDAERP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCc1ccc2c(c1)C[NH2+]CC2 ZINC000565095860 361300986 /nfs/dbraw/zinc/30/09/86/361300986.db2.gz WZERSOYTSKYFBX-XNJGSVPQSA-N 2 0 273.424 1.808 10 0 CDAERP C[C@]1(C[NH+]2CCC(C(=O)N3CCCC3)CC2)CC[NH2+]C1 ZINC000261751224 238950543 /nfs/dbraw/zinc/95/05/43/238950543.db2.gz JTTYWLIITKJBEA-INIZCTEOSA-N 2 0 279.428 1.320 10 0 CDAERP C[C@H](C[NH3+])CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000417950064 361604199 /nfs/dbraw/zinc/60/41/99/361604199.db2.gz VOGPYGVGHAVVKA-YUELXQCFSA-N 2 0 290.411 1.326 10 0 CDAERP CN(C)c1ccncc1C[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000623754428 363860383 /nfs/dbraw/zinc/86/03/83/363860383.db2.gz OHXBTHFMYYTTRI-UKRRQHHQSA-N 2 0 261.369 1.805 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NCC[NH+]2CCCC[C@@H]2C)C1 ZINC000572661038 364095536 /nfs/dbraw/zinc/09/55/36/364095536.db2.gz ZRINQKWTMVJGCU-KBPBESRZSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C[N@H+](C)C1CCC1 ZINC000629959815 364262266 /nfs/dbraw/zinc/26/22/66/364262266.db2.gz YMIFHKOYHISASC-ZIAGYGMSSA-N 2 0 281.444 1.850 10 0 CDAERP C[C@H](CCNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)[NH+]1CCCCC1 ZINC000418013831 364487750 /nfs/dbraw/zinc/48/77/50/364487750.db2.gz ZVMPQGFMDSLXOI-RBSFLKMASA-N 2 0 296.459 1.548 10 0 CDAERP CC(C)([NH3+])CC(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000373040620 364564742 /nfs/dbraw/zinc/56/47/42/364564742.db2.gz SUAGYCFQEUJXPF-CYBMUJFWSA-N 2 0 267.417 1.591 10 0 CDAERP CCC[C@@](C)([NH3+])C(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000373040159 364564790 /nfs/dbraw/zinc/56/47/90/364564790.db2.gz QBRZBDIKCQLXHR-GDBMZVCRSA-N 2 0 281.444 1.981 10 0 CDAERP C[C@H](N[C@@H](C[NH+](C)C)c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400713189 299348991 /nfs/dbraw/zinc/34/89/91/299348991.db2.gz MTJBEDFPYVXCOU-BPUTZDHNSA-N 2 0 261.413 1.877 10 0 CDAERP Cn1cc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@@H]([NH3+])C3)C2)cn1 ZINC000580212596 364914393 /nfs/dbraw/zinc/91/43/93/364914393.db2.gz RRBMNLRHQZSGIP-MCIONIFRSA-N 2 0 277.416 1.248 10 0 CDAERP COC[C@H](C)C[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000188044927 364937353 /nfs/dbraw/zinc/93/73/53/364937353.db2.gz IAOIFXYKLJAPDY-MRXNPFEDSA-N 2 0 297.487 1.809 10 0 CDAERP C[C@@H](NC(=O)NCC(C)(C)[NH+]1CCCCC1)[C@H](C)[NH3+] ZINC000416829824 296076706 /nfs/dbraw/zinc/07/67/06/296076706.db2.gz NRWOKBGNYVFCNP-NWDGAFQWSA-N 2 0 270.421 1.286 10 0 CDAERP CC[C@@H](Cn1cncn1)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000353269421 365103338 /nfs/dbraw/zinc/10/33/38/365103338.db2.gz TUZQOJSTYZLPSK-AWEZNQCLSA-N 2 0 279.432 1.767 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC000375252664 370800349 /nfs/dbraw/zinc/80/03/49/370800349.db2.gz LKQQXEVJDXARQI-UHFFFAOYSA-N 2 0 287.407 1.751 10 0 CDAERP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)[C@H]1C[C@H]1C ZINC000414129064 241080130 /nfs/dbraw/zinc/08/01/30/241080130.db2.gz UPEBIDGMJDPDDF-FMKPAKJESA-N 2 0 267.461 1.894 10 0 CDAERP Cc1ccncc1N1CC[NH+](C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414752668 241367487 /nfs/dbraw/zinc/36/74/87/241367487.db2.gz LBVMAHLFEDVLHQ-CVEARBPZSA-N 2 0 288.439 1.900 10 0 CDAERP C[C@H]1C[C@@H](NC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC[N@@H+]1C ZINC000626987190 367151492 /nfs/dbraw/zinc/15/14/92/367151492.db2.gz ZWPWWYUTDQBFDH-DARAHFNDSA-N 2 0 294.443 1.110 10 0 CDAERP C[C@H](CC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000219859062 367276905 /nfs/dbraw/zinc/27/69/05/367276905.db2.gz SEVLHORCHPIKOE-QXSJWSMHSA-N 2 0 293.455 1.707 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627038683 367280349 /nfs/dbraw/zinc/28/03/49/367280349.db2.gz RGHMQOZLTFSMMW-RWMBFGLXSA-N 2 0 270.421 1.156 10 0 CDAERP C[C@H]1CC[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[NH2+]1 ZINC000627053201 367310873 /nfs/dbraw/zinc/31/08/73/367310873.db2.gz ZGJKRHUOEZRYPV-WSOGJNRSSA-N 2 0 280.416 1.051 10 0 CDAERP C[C@H]1CC[C@H](NC(=O)NCc2ccc3c(c2)C[NH2+]C3)C[NH2+]1 ZINC000627086727 367407767 /nfs/dbraw/zinc/40/77/67/367407767.db2.gz CKARMQNJYQKVKC-NHYWBVRUSA-N 2 0 288.395 1.230 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000627167498 367602849 /nfs/dbraw/zinc/60/28/49/367602849.db2.gz GNJMFGXNCVWNHB-MELADBBJSA-N 2 0 282.432 1.299 10 0 CDAERP C[C@@H]1C[N@H+](C)C[C@@H]1NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000358306326 367588777 /nfs/dbraw/zinc/58/87/77/367588777.db2.gz UPXVDWDPSWPPJG-XBVQOTNRSA-N 2 0 295.471 1.294 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000627160786 367590145 /nfs/dbraw/zinc/59/01/45/367590145.db2.gz MORKOJOABCOSSB-LXTVHRRPSA-N 2 0 294.443 1.395 10 0 CDAERP Cn1cncc1CCC[N@@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000576119077 317079412 /nfs/dbraw/zinc/07/94/12/317079412.db2.gz CDRNYXDLGNAJDH-ZYHUDNBSSA-N 2 0 291.317 1.598 10 0 CDAERP CC[NH2+]CC1CCN(C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627207971 367709463 /nfs/dbraw/zinc/70/94/63/367709463.db2.gz VFTCPPSNJICQFA-GXTWGEPZSA-N 2 0 282.432 1.158 10 0 CDAERP C[C@H]1C[C@@H](C[NH2+]CCCNCc2cccnc2)CC[NH2+]1 ZINC000414857307 367714043 /nfs/dbraw/zinc/71/40/43/367714043.db2.gz COWQQZVUYIBSBX-GJZGRUSLSA-N 2 0 276.428 1.539 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)NCC[N@H+](C)C2CC2)cc1 ZINC000417604509 242554507 /nfs/dbraw/zinc/55/45/07/242554507.db2.gz BTIGRIWFRDSAJG-GFCCVEGCSA-N 2 0 290.411 1.600 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000360330182 368234254 /nfs/dbraw/zinc/23/42/54/368234254.db2.gz RTTJEUIMDQPZHY-ZFWWWQNUSA-N 2 0 299.484 1.414 10 0 CDAERP CC(C)C[C@H](C[NH3+])NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000418410190 243042706 /nfs/dbraw/zinc/04/27/06/243042706.db2.gz BXYUJHHFBFZHLT-TZMCWYRMSA-N 2 0 282.432 1.238 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)NC[C@H]([NH3+])c2ccccc2)CC[NH2+]1 ZINC000418442765 243081562 /nfs/dbraw/zinc/08/15/62/243081562.db2.gz DZTHYRCZHDLVDO-BNOWGMLFSA-N 2 0 276.384 1.126 10 0 CDAERP [NH3+][C@@H](CNC(=O)NCCC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000418455443 243099217 /nfs/dbraw/zinc/09/92/17/243099217.db2.gz RSIQFQKJHDXOOG-CABCVRRESA-N 2 0 290.411 1.518 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000418583040 243237449 /nfs/dbraw/zinc/23/74/49/243237449.db2.gz WHKYRWJNULCAJP-DZGCQCFKSA-N 2 0 296.459 1.500 10 0 CDAERP CN(CCC(=O)NCC[N@H+](C)C1CC1)c1cc[nH+]cc1 ZINC000541855741 368686408 /nfs/dbraw/zinc/68/64/08/368686408.db2.gz XOFSMWKFCAQKAV-UHFFFAOYSA-N 2 0 276.384 1.118 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N(C)CCC[NH+](C)C ZINC000542743477 368814748 /nfs/dbraw/zinc/81/47/48/368814748.db2.gz ZIRYNLNGRLKHRY-HUUCEWRRSA-N 2 0 298.475 1.842 10 0 CDAERP COc1c[nH+]ccc1N1CC[NH+](CC2(O)CCCC2)CC1 ZINC000361530730 368878575 /nfs/dbraw/zinc/87/85/75/368878575.db2.gz KWMCCHPNDBEUJI-UHFFFAOYSA-N 2 0 291.395 1.517 10 0 CDAERP C[NH+](C)CCN(Cc1ccccc1)C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638271707 369052412 /nfs/dbraw/zinc/05/24/12/369052412.db2.gz RXOHWOXUPAEQLW-MRXNPFEDSA-N 2 0 287.407 1.624 10 0 CDAERP CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420304171 244052166 /nfs/dbraw/zinc/05/21/66/244052166.db2.gz LDWASQHZTYZSHW-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP CCN(CCC[NH+](CC)CC)C(=O)CCC1C[NH2+]C1 ZINC000638287453 369175961 /nfs/dbraw/zinc/17/59/61/369175961.db2.gz UHAKAQISDDWYRI-UHFFFAOYSA-N 2 0 269.433 1.566 10 0 CDAERP CCNC(=O)C1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CCC1 ZINC000367639681 369204709 /nfs/dbraw/zinc/20/47/09/369204709.db2.gz WOVAOUHFFRACMW-RBSFLKMASA-N 2 0 293.455 1.755 10 0 CDAERP COCCC[N@H+](C)CCNC(=O)Nc1c(C)ccnc1C ZINC000287665730 369272600 /nfs/dbraw/zinc/27/26/00/369272600.db2.gz XHVGBBBNNQPDEE-UHFFFAOYSA-N 2 0 294.399 1.788 10 0 CDAERP COc1ncc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(C)n1 ZINC000369054860 369675858 /nfs/dbraw/zinc/67/58/58/369675858.db2.gz MYOOAWBDPSLLKK-UKRRQHHQSA-N 2 0 290.411 1.710 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CCC[NH+](CC)C2)C1 ZINC000249739801 370182176 /nfs/dbraw/zinc/18/21/76/370182176.db2.gz HVFBTNBSMCUXFT-CABCVRRESA-N 2 0 296.459 1.502 10 0 CDAERP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000252411985 370204488 /nfs/dbraw/zinc/20/44/88/370204488.db2.gz NOGDUKMXDVLFRZ-DGADGQDISA-N 2 0 291.439 1.650 10 0 CDAERP Cc1cc(C)c(CNC(=O)N[C@H](C)[C@H](C)[NH3+])cn1 ZINC000418271210 370377231 /nfs/dbraw/zinc/37/72/31/370377231.db2.gz VLWLEAXGXNKLGH-WDEREUQCSA-N 2 0 250.346 1.233 10 0 CDAERP C[NH2+]CCCNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000418281850 370442372 /nfs/dbraw/zinc/44/23/72/370442372.db2.gz VZQZNDZHPVNRQJ-UHFFFAOYSA-N 2 0 282.432 1.113 10 0 CDAERP COc1ccccc1N1CC[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])C1 ZINC000422871953 245359353 /nfs/dbraw/zinc/35/93/53/245359353.db2.gz FAYDOKIMIOYPQT-MJBXVCDLSA-N 2 0 277.412 1.989 10 0 CDAERP C[C@H](NC(=O)c1ccccc1CC[NH3+])C(C)(C)C[NH+](C)C ZINC000573574237 371586474 /nfs/dbraw/zinc/58/64/74/371586474.db2.gz BTWQUZDYXYVZOA-ZDUSSCGKSA-N 2 0 291.439 1.894 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NCC[NH+]2CCC[C@@H](C)C2)C1 ZINC000575205219 371779755 /nfs/dbraw/zinc/77/97/55/371779755.db2.gz QJUVMIJXTGQNOE-KGLIPLIRSA-N 2 0 267.417 1.176 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)N1CCCC[C@H]1c1ncc[nH]1 ZINC000575284313 371797539 /nfs/dbraw/zinc/79/75/39/371797539.db2.gz LZZPPUPYNXSWIP-MNOVXSKESA-N 2 0 250.346 1.591 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000173831138 372540952 /nfs/dbraw/zinc/54/09/52/372540952.db2.gz FAOKIDQCSPDKQU-KFWWJZLASA-N 2 0 296.459 1.595 10 0 CDAERP NC(=O)c1csc(CNCCC[NH+]2CCC2)c1 ZINC000580963334 372765790 /nfs/dbraw/zinc/76/57/90/372765790.db2.gz QEAAGNGPDTVDBU-UHFFFAOYSA-N 2 0 253.371 1.032 10 0 CDAERP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CC[C@H](OC)C2)CC[NH2+]CC1 ZINC000423076760 245545075 /nfs/dbraw/zinc/54/50/75/245545075.db2.gz ZQJMVEOXAWGZCW-IHRRRGAJSA-N 2 0 298.427 1.465 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000333167404 205085915 /nfs/dbraw/zinc/08/59/15/205085915.db2.gz HOZKNHABSTXPPM-HUUCEWRRSA-N 2 0 296.459 1.406 10 0 CDAERP CC[C@H](C(=O)NC[C@H]1CCC[N@H+](CCCOC)C1)[NH+](C)C ZINC001661724863 1172434817 /nfs/dbraw/zinc/43/48/17/1172434817.db2.gz YVZADMDJOJUFRW-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP C[NH2+]CCCN[C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000423198230 245657659 /nfs/dbraw/zinc/65/76/59/245657659.db2.gz DTYRKFZSHMRLCW-CVEARBPZSA-N 2 0 277.412 1.687 10 0 CDAERP CCC[C@@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)[NH+](C)C ZINC000179659829 372992811 /nfs/dbraw/zinc/99/28/11/372992811.db2.gz PJUMAOVCIJUYCX-OLZOCXBDSA-N 2 0 253.390 1.023 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C[C@@H]1C ZINC000581497953 373046656 /nfs/dbraw/zinc/04/66/56/373046656.db2.gz KSVBGFGCSOMLOE-KKUMJFAQSA-N 2 0 281.444 1.659 10 0 CDAERP CC[N@H+](CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C)C1CC1 ZINC000153216937 284391362 /nfs/dbraw/zinc/39/13/62/284391362.db2.gz XUAZBRZEUTUNDE-CVEARBPZSA-N 2 0 293.455 1.944 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NC1CC[NH+](C)CC1 ZINC000341463086 373668590 /nfs/dbraw/zinc/66/85/90/373668590.db2.gz VRYBRDSLROSXSG-ZIAGYGMSSA-N 2 0 296.459 1.643 10 0 CDAERP C[NH+](C)CCN(C(=O)c1ccc(C[NH3+])cc1)C1CC1 ZINC000584468416 373820474 /nfs/dbraw/zinc/82/04/74/373820474.db2.gz PJYIUHPHTMHWQT-UHFFFAOYSA-N 2 0 261.369 1.312 10 0 CDAERP CCC(C)(C)NC(=O)[C@H](C)N1CCC([NH2+]CCOC)CC1 ZINC000584475157 373823934 /nfs/dbraw/zinc/82/39/34/373823934.db2.gz WEDUPUKPCDAQKE-ZDUSSCGKSA-N 2 0 299.459 1.380 10 0 CDAERP C[C@H]1CC[NH2+]C[C@@H]1Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000643469238 374009599 /nfs/dbraw/zinc/00/95/99/374009599.db2.gz BTVYNRVQJCGFBC-FZMZJTMJSA-N 2 0 257.341 1.677 10 0 CDAERP COC(=O)CCCN1CCN(c2cnccc2C)CC1 ZINC000342743798 374429944 /nfs/dbraw/zinc/42/99/44/374429944.db2.gz JLMGUBXVRDBPEK-UHFFFAOYSA-N 2 0 277.368 1.465 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000334400492 375259346 /nfs/dbraw/zinc/25/93/46/375259346.db2.gz YKRSKASCZZWELW-MRXNPFEDSA-N 2 0 293.455 1.946 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)C2([NH3+])CCCC2)CC1 ZINC000638974893 376313798 /nfs/dbraw/zinc/31/37/98/376313798.db2.gz DHVZCXWZKAQFFZ-UHFFFAOYSA-N 2 0 267.417 1.591 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@H](C(C)C)[C@@H](C)[NH3+])CC1 ZINC000638981890 376345419 /nfs/dbraw/zinc/34/54/19/376345419.db2.gz YFQODFPWGJQZPF-ZIAGYGMSSA-N 2 0 283.460 1.939 10 0 CDAERP C[NH2+]CCC1CC[NH+](C[C@H]2CCc3ncnn32)CC1 ZINC000631823272 376647287 /nfs/dbraw/zinc/64/72/87/376647287.db2.gz AGMUFLWHBQMWLG-CYBMUJFWSA-N 2 0 263.389 1.087 10 0 CDAERP C[C@@H](C(=O)NCCc1ccccc1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631841435 376698205 /nfs/dbraw/zinc/69/82/05/376698205.db2.gz KMXONLKHCUOKEO-IJEWVQPXSA-N 2 0 289.423 1.260 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3C[NH+](C)CC[C@@H]32)CC[N@@H+]1C ZINC000631951024 376842706 /nfs/dbraw/zinc/84/27/06/376842706.db2.gz WTHKZQDATPUJEP-JONQDZQNSA-N 2 0 293.455 1.659 10 0 CDAERP Cc1ccccc1[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000334650516 377211238 /nfs/dbraw/zinc/21/12/38/377211238.db2.gz CGFASXUZBDYUHX-NEPJUHHUSA-N 2 0 283.322 1.108 10 0 CDAERP C[C@@H]1CCC[C@H](NC(=O)CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)[C@H]1C ZINC000248823888 377331397 /nfs/dbraw/zinc/33/13/97/377331397.db2.gz ZCJUPZQIFQJLER-LEOABGAYSA-N 2 0 293.455 1.421 10 0 CDAERP CC[N@H+](CCNC(=O)NCC1([NH3+])CCCCCC1)C1CC1 ZINC000417494753 377569737 /nfs/dbraw/zinc/56/97/37/377569737.db2.gz YMKAQPRMTSADAG-UHFFFAOYSA-N 2 0 296.459 1.822 10 0 CDAERP CN(C(=O)NCC1([NH3+])CCCCCC1)C1CC[NH2+]CC1 ZINC000334934021 377700381 /nfs/dbraw/zinc/70/03/81/377700381.db2.gz FIPMLNUNSHVPGS-UHFFFAOYSA-N 2 0 282.432 1.432 10 0 CDAERP C[C@]1(CNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)CCC[NH2+]C1 ZINC000334939504 377716076 /nfs/dbraw/zinc/71/60/76/377716076.db2.gz HCIOXQPIJUWADH-HOCLYGCPSA-N 2 0 292.427 1.032 10 0 CDAERP O=C(CN1CCC[C@@]2(CC[NH2+]C2)C1)NC1CCCC1 ZINC000334980846 377750130 /nfs/dbraw/zinc/75/01/30/377750130.db2.gz ONASLHHWORSHPP-HNNXBMFYSA-N 2 0 265.401 1.121 10 0 CDAERP C[C@@H](C[NH3+])CNC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000417537499 377904431 /nfs/dbraw/zinc/90/44/31/377904431.db2.gz SKCGXFIRZLCYJV-RWMBFGLXSA-N 2 0 270.421 1.143 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](CC)C[C@@H]2C)CC[N@@H+]1C ZINC000633019392 378050107 /nfs/dbraw/zinc/05/01/07/378050107.db2.gz HIMSJBGHRDJUCJ-MELADBBJSA-N 2 0 267.417 1.269 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000193318730 378273912 /nfs/dbraw/zinc/27/39/12/378273912.db2.gz CDAAYFVDFKPEQC-CHWSQXEVSA-N 2 0 253.390 1.058 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC[C@@H](C)[NH+](C)C)CC[N@@H+]1C ZINC000633616550 378598223 /nfs/dbraw/zinc/59/82/23/378598223.db2.gz GTRCPWWBXRMXTP-FRRDWIJNSA-N 2 0 255.406 1.173 10 0 CDAERP CCC[C@H](O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662325219 412895872 /nfs/dbraw/zinc/89/58/72/412895872.db2.gz DBJJTACHLVUIBW-UONOGXRCSA-N 2 0 258.406 1.190 10 0 CDAERP C[NH+](C)CCC[C@@H]1C[N@H+](CC[C@H]2CCOC2)CCO1 ZINC000662325693 412896958 /nfs/dbraw/zinc/89/69/58/412896958.db2.gz IEOVWHLJDFXHCU-LSDHHAIUSA-N 2 0 270.417 1.456 10 0 CDAERP C[N@H+](CCN1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000278553815 194040428 /nfs/dbraw/zinc/04/04/28/194040428.db2.gz HRVAFTYTFDXVPT-UHFFFAOYSA-N 2 0 273.424 1.898 10 0 CDAERP CC(C)OCC[NH2+]CC1CC[NH+](C[C@H](C)O)CC1 ZINC000069869859 378979796 /nfs/dbraw/zinc/97/97/96/378979796.db2.gz CIMRNHXRTWDFAU-ZDUSSCGKSA-N 2 0 258.406 1.094 10 0 CDAERP CCC[N@H+](C)CC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000634089375 379034950 /nfs/dbraw/zinc/03/49/50/379034950.db2.gz HQXSBDFXXGSHOW-UHFFFAOYSA-N 2 0 293.415 1.430 10 0 CDAERP CN(CC[C@H]1CCC[NH2+]C1)[C@H](C[NH3+])C(F)(F)F ZINC000662330983 412902423 /nfs/dbraw/zinc/90/24/23/412902423.db2.gz DLRGMJMRZDGSCQ-NXEZZACHSA-N 2 0 253.312 1.198 10 0 CDAERP C[C@]1(C(F)F)C[N@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000662334741 412903307 /nfs/dbraw/zinc/90/33/07/412903307.db2.gz CTDWJVAFLZYJJL-DGCLKSJQSA-N 2 0 262.344 1.732 10 0 CDAERP CN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC([NH3+])C1 ZINC000334576164 379078164 /nfs/dbraw/zinc/07/81/64/379078164.db2.gz KTHFWHNNADEATL-LJZITESISA-N 2 0 280.416 1.133 10 0 CDAERP CO[C@H]1CCC[C@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)C1 ZINC000657572648 412903694 /nfs/dbraw/zinc/90/36/94/412903694.db2.gz DWBLQYIJVAHIDI-JYJNAYRXSA-N 2 0 285.476 1.806 10 0 CDAERP C[C@@H](CCN[C@@H]1C[N@H+](C)C[C@H]1C)[NH+]1CCCCC1 ZINC000344294989 379431365 /nfs/dbraw/zinc/43/13/65/379431365.db2.gz LFVSREWHYDEDEG-QLFBSQMISA-N 2 0 253.434 1.791 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)N[C@H](C)CC[NH+](C)C ZINC000663849245 412913090 /nfs/dbraw/zinc/91/30/90/412913090.db2.gz FXUOBLNVEJCQJT-CYBMUJFWSA-N 2 0 286.464 1.746 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000417011310 284800531 /nfs/dbraw/zinc/80/05/31/284800531.db2.gz RLWWYVCOGZMELS-JHJVBQTASA-N 2 0 270.421 1.095 10 0 CDAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cc[nH]c3)cc2)C1 ZINC000657594995 412923291 /nfs/dbraw/zinc/92/32/91/412923291.db2.gz MCXXPXAKDGDWCV-QGZVFWFLSA-N 2 0 285.391 1.871 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)CO1 ZINC000657598081 412929299 /nfs/dbraw/zinc/92/92/99/412929299.db2.gz XYYMXBNSOVSLSG-KBRIMQKVSA-N 2 0 290.407 1.520 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N(C)Cc2c[nH]cn2)CC1 ZINC000663893512 412941314 /nfs/dbraw/zinc/94/13/14/412941314.db2.gz NBVPYJXDFCRMFP-UHFFFAOYSA-N 2 0 293.415 1.673 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000230715070 284887017 /nfs/dbraw/zinc/88/70/17/284887017.db2.gz DRTKYCNUIWPETR-STQMWFEESA-N 2 0 255.406 1.175 10 0 CDAERP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000662386640 412945928 /nfs/dbraw/zinc/94/59/28/412945928.db2.gz LXJXBRDFBXRLJX-HRCADAONSA-N 2 0 295.471 1.860 10 0 CDAERP COC1([C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C)CCOCC1 ZINC000453050799 252261561 /nfs/dbraw/zinc/26/15/61/252261561.db2.gz ANQYQOIZKHPYES-CYBMUJFWSA-N 2 0 272.433 1.748 10 0 CDAERP COCC[N@@H+]1CCC[C@@H]1CN[C@H]1CCCCC[C@H]1[NH3+] ZINC000422703256 285030195 /nfs/dbraw/zinc/03/01/95/285030195.db2.gz HHTDNKQPFHDCDE-KFWWJZLASA-N 2 0 269.433 1.347 10 0 CDAERP C[C@H](CCCC[NH3+])NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655968248 412971420 /nfs/dbraw/zinc/97/14/20/412971420.db2.gz QYKXSOCBRBMIIJ-UPJWGTAASA-N 2 0 270.421 1.143 10 0 CDAERP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000655969918 412983055 /nfs/dbraw/zinc/98/30/55/412983055.db2.gz DENJAHQBVVUXSQ-MQYQWHSLSA-N 2 0 282.432 1.095 10 0 CDAERP C[NH+]1CCC(CC[NH2+][C@H]2CCC(=O)NC2(C)C)CC1 ZINC000495074158 253683408 /nfs/dbraw/zinc/68/34/08/253683408.db2.gz ZPYHUCLOFCQWCE-ZDUSSCGKSA-N 2 0 267.417 1.365 10 0 CDAERP CO[C@H]1C[C@@H]([N@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000510153649 254108103 /nfs/dbraw/zinc/10/81/03/254108103.db2.gz AYGZFLUWHAJLLN-GASCZTMLSA-N 2 0 297.443 1.085 10 0 CDAERP [NH3+]CCCOC1CCN(C(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000662427451 413007262 /nfs/dbraw/zinc/00/72/62/413007262.db2.gz GZSKLMVBUCCVFX-UHFFFAOYSA-N 2 0 295.427 1.018 10 0 CDAERP OC1CCC([NH2+]C2CC([NH+]3CCCCC3)C2)CC1 ZINC000334167812 285244191 /nfs/dbraw/zinc/24/41/91/285244191.db2.gz ASBKRCJQVZUWRC-UHFFFAOYSA-N 2 0 252.402 1.896 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000662441884 413022796 /nfs/dbraw/zinc/02/27/96/413022796.db2.gz SJSYNUOCHSSMQN-GJZGRUSLSA-N 2 0 297.443 1.216 10 0 CDAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H](C[NH3+])CC(C)C ZINC000662442374 413023149 /nfs/dbraw/zinc/02/31/49/413023149.db2.gz RZZHLRJWJMWCNF-GJZGRUSLSA-N 2 0 299.459 1.225 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CCC3(CC[NH2+]C3)CC2)C1 ZINC000335285901 285264975 /nfs/dbraw/zinc/26/49/75/285264975.db2.gz UFZRPERBIOTJCL-AWEZNQCLSA-N 2 0 294.443 1.256 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CC12CC2 ZINC000421757364 285280664 /nfs/dbraw/zinc/28/06/64/285280664.db2.gz MVYOYOWEGCRTTQ-LSDHHAIUSA-N 2 0 293.455 1.661 10 0 CDAERP C[C@H]([NH3+])c1ccc(NC(=O)[C@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000188186424 140090071 /nfs/dbraw/zinc/09/00/71/140090071.db2.gz JLIXFNXHORQMGJ-PTOFAABTSA-N 2 0 251.305 1.345 10 0 CDAERP C[NH+](C)C[C@H](NC(=O)CC1C[NH2+]C1)c1ccccc1 ZINC000081765617 177854963 /nfs/dbraw/zinc/85/49/63/177854963.db2.gz BGZLAHBCKMBVIH-AWEZNQCLSA-N 2 0 261.369 1.015 10 0 CDAERP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000120705909 285310229 /nfs/dbraw/zinc/31/02/29/285310229.db2.gz MAAVPPOBCGUUDE-LSDHHAIUSA-N 2 0 252.402 1.850 10 0 CDAERP CC(C)[NH2+]CC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000662461653 413039383 /nfs/dbraw/zinc/03/93/83/413039383.db2.gz NVRCDXZXYWTGAF-UHFFFAOYSA-N 2 0 281.375 1.502 10 0 CDAERP C[NH+](C)CC1(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)CCCCC1 ZINC000646943568 390304426 /nfs/dbraw/zinc/30/44/26/390304426.db2.gz KFFXCWPLFKFRAY-HUUCEWRRSA-N 2 0 293.455 1.661 10 0 CDAERP [NH3+]C[C@@H](C(=O)N[C@@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1 ZINC000647055105 390383218 /nfs/dbraw/zinc/38/32/18/390383218.db2.gz LGDSDIXGTPCWNO-ZIAGYGMSSA-N 2 0 291.370 1.126 10 0 CDAERP C[NH2+][C@@H](C)Cc1noc([C@H](C[NH3+])c2ccc(F)cc2)n1 ZINC000647143005 390547676 /nfs/dbraw/zinc/54/76/76/390547676.db2.gz ZSPSYMIHQMGXJK-JOYOIKCWSA-N 2 0 278.331 1.450 10 0 CDAERP OCCC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000358306254 390552714 /nfs/dbraw/zinc/55/27/14/390552714.db2.gz UEQUFQTYMUMHST-KGLIPLIRSA-N 2 0 252.402 1.756 10 0 CDAERP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000373039279 390667966 /nfs/dbraw/zinc/66/79/66/390667966.db2.gz BMFMONTZMNSQEH-KBPBESRZSA-N 2 0 267.417 1.447 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)CC[NH3+])[C@H](C)C1 ZINC000418567378 285388798 /nfs/dbraw/zinc/38/87/98/285388798.db2.gz WRODLQIXRZHPRN-AGIUHOORSA-N 2 0 270.421 1.095 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)C1([NH3+])CCCCC1 ZINC000237677371 390867506 /nfs/dbraw/zinc/86/75/06/390867506.db2.gz GRZNXNFEHGIMFX-CYBMUJFWSA-N 2 0 267.417 1.639 10 0 CDAERP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000648199058 390949665 /nfs/dbraw/zinc/94/96/65/390949665.db2.gz ICJNTLLWAGRUNN-GOEBONIOSA-N 2 0 287.407 1.603 10 0 CDAERP CCC[NH2+][C@@H](C)C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648209879 390952498 /nfs/dbraw/zinc/95/24/98/390952498.db2.gz DRXULGKUVMPZRQ-RYUDHWBXSA-N 2 0 253.390 1.165 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@]1(C)CCC[NH2+]1 ZINC000092630306 390902019 /nfs/dbraw/zinc/90/20/19/390902019.db2.gz MPROGKCBYXHLNT-OCCSQVGLSA-N 2 0 253.390 1.071 10 0 CDAERP COc1ccc(OCC[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)cc1 ZINC000415093580 391017031 /nfs/dbraw/zinc/01/70/31/391017031.db2.gz VTSSSVMDPCYVID-STQMWFEESA-N 2 0 264.369 1.662 10 0 CDAERP COCC(C)(C)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648072111 391089313 /nfs/dbraw/zinc/08/93/13/391089313.db2.gz LWXRGWNWRBAPBK-UHFFFAOYSA-N 2 0 270.417 1.456 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CCC[N@H+](CC)C1)[NH+](CC)CC ZINC000345320326 391132782 /nfs/dbraw/zinc/13/27/82/391132782.db2.gz PBYSLAMSAHNNGE-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP CCN(C)C(=O)CC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647904072 391201398 /nfs/dbraw/zinc/20/13/98/391201398.db2.gz VXBPECAQZCZFME-ZIAGYGMSSA-N 2 0 267.417 1.319 10 0 CDAERP CC[N@@H+]1CC[C@H]2OCCN(CCC[NH+]3CCCCC3)[C@H]2C1 ZINC000339393886 391294809 /nfs/dbraw/zinc/29/48/09/391294809.db2.gz RJORWHUGGSXNCK-DLBZAZTESA-N 2 0 295.471 1.657 10 0 CDAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCCC[NH3+] ZINC000418019530 391326359 /nfs/dbraw/zinc/32/63/59/391326359.db2.gz XOPJISXSHZWBJW-UKRRQHHQSA-N 2 0 290.411 1.155 10 0 CDAERP C[NH+](C)CC1CCN(C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000418345947 391348725 /nfs/dbraw/zinc/34/87/25/391348725.db2.gz LYRVODDBXUBSEC-AWEZNQCLSA-N 2 0 296.459 1.359 10 0 CDAERP CC(C)C[C@@H]([NH3+])CN1CCCN(C(=O)C(C)C)CC1 ZINC000414710270 391350717 /nfs/dbraw/zinc/35/07/17/391350717.db2.gz SBGZRCZMJVNDCU-CQSZACIVSA-N 2 0 269.433 1.550 10 0 CDAERP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353528061 391394904 /nfs/dbraw/zinc/39/49/04/391394904.db2.gz FZTYEYREDQKFGM-NJVJYBDUSA-N 2 0 254.418 1.856 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCO)[C@H](C)C1 ZINC000450777079 391396739 /nfs/dbraw/zinc/39/67/39/391396739.db2.gz IPKGGVHNMXHDMR-HZPDHXFCSA-N 2 0 283.460 1.248 10 0 CDAERP C[NH+](C)C1(CN[C@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CCC1 ZINC000353672395 391399148 /nfs/dbraw/zinc/39/91/48/391399148.db2.gz QRLKURLNVFQWJI-ILXRZTDVSA-N 2 0 265.445 1.933 10 0 CDAERP C[C@H]1CC2(C[N@@H+]1CC(=O)NC1CCCCC1)CC[NH2+]CC2 ZINC000335281012 391401011 /nfs/dbraw/zinc/40/10/11/391401011.db2.gz WRBVUFZYJDVPKD-AWEZNQCLSA-N 2 0 293.455 1.899 10 0 CDAERP CC[C@@H]1C[C@H](C[NH2+]C[C@](C)(O)C[NH+](C)C)CCO1 ZINC000355666506 391463609 /nfs/dbraw/zinc/46/36/09/391463609.db2.gz CQUJSJXMUDTSIL-MCIONIFRSA-N 2 0 258.406 1.094 10 0 CDAERP CC1(C)CC([NH2+]C2CCS(=O)(=O)CC2)CC(C)(C)[NH2+]1 ZINC000035652337 391473207 /nfs/dbraw/zinc/47/32/07/391473207.db2.gz LAQQOJBXOLPTHV-UHFFFAOYSA-N 2 0 288.457 1.462 10 0 CDAERP C[C@H](NC(=O)N[C@H]1CC[NH2+]C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000417848246 391518040 /nfs/dbraw/zinc/51/80/40/391518040.db2.gz BCYKKUWFHWXFTA-AGIUHOORSA-N 2 0 284.448 1.260 10 0 CDAERP C[C@@H](NC(=O)N[C@H]1CC[NH2+]C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000417848251 391518391 /nfs/dbraw/zinc/51/83/91/391518391.db2.gz BCYKKUWFHWXFTA-UPJWGTAASA-N 2 0 284.448 1.260 10 0 CDAERP CC[NH2+]CCNCc1cn(-c2cc[nH+]cc2)nc1C ZINC000414823629 535476602 /nfs/dbraw/zinc/47/66/02/535476602.db2.gz IPNRXCJDXCSAJX-UHFFFAOYSA-N 2 0 259.357 1.275 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C(=O)N2CCCC2)CC[N@@H+]1C ZINC000528015373 391577931 /nfs/dbraw/zinc/57/79/31/391577931.db2.gz KXIQDKJISNWGQY-KGLIPLIRSA-N 2 0 281.444 1.707 10 0 CDAERP Cc1cnc(C)nc1NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000519849075 391715997 /nfs/dbraw/zinc/71/59/97/391715997.db2.gz NQZKHAURXXUYBY-OKILXGFUSA-N 2 0 292.427 1.817 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)C1 ZINC000417554318 391654382 /nfs/dbraw/zinc/65/43/82/391654382.db2.gz WDPQPORIVIPANE-QLFBSQMISA-N 2 0 296.459 1.404 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH3+])CC1 ZINC000335382220 391702997 /nfs/dbraw/zinc/70/29/97/391702997.db2.gz VLTXLKPXNBTMHZ-ZDUSSCGKSA-N 2 0 253.390 1.199 10 0 CDAERP C[C@@H]1CCCN1C(=O)CC[N@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000362190135 391714693 /nfs/dbraw/zinc/71/46/93/391714693.db2.gz ZJFJSCURJWYECZ-KFWWJZLASA-N 2 0 281.444 1.802 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](C)CCC[NH3+] ZINC000415026793 391728242 /nfs/dbraw/zinc/72/82/42/391728242.db2.gz VLBQJFFAKOCERI-LBPRGKRZSA-N 3 0 273.384 1.793 10 0 CDAERP Cc1cncc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000189873322 130033984 /nfs/dbraw/zinc/03/39/84/130033984.db2.gz NVJOPHXJHVOKRP-OAHLLOKOSA-N 2 0 291.439 1.915 10 0 CDAERP CC[N@H+](CC(=O)N[C@H]1CCC[NH+](CC)C1)C1CC1 ZINC000179168546 391759693 /nfs/dbraw/zinc/75/96/93/391759693.db2.gz MPVMBMBGWKLLAB-LBPRGKRZSA-N 2 0 253.390 1.071 10 0 CDAERP COC[C@@H](C)CNc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000526112903 391831347 /nfs/dbraw/zinc/83/13/47/391831347.db2.gz GZUVJZUOQDWFGQ-ZDUSSCGKSA-N 2 0 278.400 1.528 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)CCC(C)(C)[NH3+] ZINC000649318920 392009521 /nfs/dbraw/zinc/00/95/21/392009521.db2.gz VVCOEVNLCVVEFK-BETUJISGSA-N 2 0 269.433 1.883 10 0 CDAERP CN(C(=O)CCC(C)(C)[NH3+])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000649322718 392019947 /nfs/dbraw/zinc/01/99/47/392019947.db2.gz ICMJOKGGQAXHGI-GFCCVEGCSA-N 2 0 253.390 1.199 10 0 CDAERP CCC1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)COC1 ZINC000453381615 392031906 /nfs/dbraw/zinc/03/19/06/392031906.db2.gz RQIHLYIUHSNIAL-MGPQQGTHSA-N 2 0 252.402 1.875 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)NCC[NH+]1CCCCC1 ZINC000431733571 392208724 /nfs/dbraw/zinc/20/87/24/392208724.db2.gz RLZDDRZHUNJLOO-OAHLLOKOSA-N 2 0 281.444 1.853 10 0 CDAERP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2CC2(C)C)CC[NH2+]CC1 ZINC000423031347 392287778 /nfs/dbraw/zinc/28/77/78/392287778.db2.gz UXWJLXMRTKVIHW-VXGBXAGGSA-N 2 0 268.401 1.696 10 0 CDAERP CC[NH+](CC)[C@H](C)CN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000423084275 392329566 /nfs/dbraw/zinc/32/95/66/392329566.db2.gz HKOADKXHWWMDMI-XJFOESAGSA-N 2 0 257.422 1.059 10 0 CDAERP CC[C@H](C)c1nnc([C@H](C)[NH2+][C@H](CCC[NH3+])COC)[nH]1 ZINC000423079680 392325770 /nfs/dbraw/zinc/32/57/70/392325770.db2.gz REOMIAIAOBOUSG-SDDRHHMPSA-N 2 0 283.420 1.723 10 0 CDAERP COC[C@](C)(O)CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423144464 392383943 /nfs/dbraw/zinc/38/39/43/392383943.db2.gz GZDHHFKGRMYLFR-QKPAOTATSA-N 2 0 284.444 1.674 10 0 CDAERP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)CCOC(C)C)CC1 ZINC000516862076 392785317 /nfs/dbraw/zinc/78/53/17/392785317.db2.gz HKEJGFBZCAGBAH-INIZCTEOSA-N 2 0 286.460 1.874 10 0 CDAERP CC(C)[NH2+]CCCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000517019739 392813141 /nfs/dbraw/zinc/81/31/41/392813141.db2.gz JWYIAPKCNNMOEU-RDBSUJKOSA-N 2 0 267.417 1.411 10 0 CDAERP Cc1cc(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)on1 ZINC000631170886 392931322 /nfs/dbraw/zinc/93/13/22/392931322.db2.gz RPFYMUUJHGZRQE-ZDUSSCGKSA-N 2 0 268.405 1.345 10 0 CDAERP O[C@H](C[NH2+][C@H]1CCCSCC1)C[NH+]1CCCC1 ZINC000657843395 413057315 /nfs/dbraw/zinc/05/73/15/413057315.db2.gz CGEDZOWQFAODSU-QWHCGFSZSA-N 2 0 258.431 1.318 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCC[NH2+]C1)[N@@H+]1CCCC[C@@H]1C ZINC000522059941 393156345 /nfs/dbraw/zinc/15/63/45/393156345.db2.gz DKWNSZCXXJWFOA-BFHYXJOUSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)CC(C)(C)[NH3+] ZINC000645951186 393427134 /nfs/dbraw/zinc/42/71/34/393427134.db2.gz IGZXLDHGHMKEGV-RYUDHWBXSA-N 2 0 255.406 1.493 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)NCC[NH+](C)C1CC1 ZINC000664094373 413074881 /nfs/dbraw/zinc/07/48/81/413074881.db2.gz RJQQQAGLRZQQNH-UHFFFAOYSA-N 2 0 284.448 1.500 10 0 CDAERP NC(=[NH2+])c1cccc(N2CCC([NH+]3CCCCC3)CC2)n1 ZINC000081620660 134500996 /nfs/dbraw/zinc/50/09/96/134500996.db2.gz ULJNNHOPXJHJOO-UHFFFAOYSA-N 2 0 287.411 1.820 10 0 CDAERP C[C@@H](CS(C)(=O)=O)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000081902550 135004646 /nfs/dbraw/zinc/00/46/46/135004646.db2.gz PIBRJXWJTTWRGD-LBPRGKRZSA-N 2 0 297.424 1.073 10 0 CDAERP CC[C@@H]([NH2+]C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000662506799 413076626 /nfs/dbraw/zinc/07/66/26/413076626.db2.gz FUCFRTJAABPUEY-WXRRBKDZSA-N 2 0 255.406 1.221 10 0 CDAERP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188723802 140099838 /nfs/dbraw/zinc/09/98/38/140099838.db2.gz JJYLRTBLHXFRRL-QMTHXVAHSA-N 2 0 261.369 1.279 10 0 CDAERP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)NC3CC3)C2)[nH+]1 ZINC000195516137 140158303 /nfs/dbraw/zinc/15/83/03/140158303.db2.gz RQPHVOWXYTXNQI-CYBMUJFWSA-N 2 0 288.395 1.402 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000226396696 140179942 /nfs/dbraw/zinc/17/99/42/140179942.db2.gz BDSXCFMJUGXCIF-AJNGGQMLSA-N 2 0 281.444 1.754 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(F)cc1F ZINC000234794339 140231367 /nfs/dbraw/zinc/23/13/67/140231367.db2.gz RDWWJYSJWQUPSU-LBPRGKRZSA-N 2 0 258.312 1.808 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)CCc1ccco1 ZINC000234800155 140231936 /nfs/dbraw/zinc/23/19/36/140231936.db2.gz LRULZAGQBQSPLI-STQMWFEESA-N 2 0 254.374 1.944 10 0 CDAERP C[C@]1(C(=O)NCC2([NH3+])CCCCCC2)CCC[NH2+]C1 ZINC000237751683 140258108 /nfs/dbraw/zinc/25/81/08/140258108.db2.gz UHXAXEQOSUNOPX-AWEZNQCLSA-N 2 0 267.417 1.544 10 0 CDAERP CN(C)c1nccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)n1 ZINC000261686008 140375589 /nfs/dbraw/zinc/37/55/89/140375589.db2.gz AOWSUVXIDYSSCQ-UHFFFAOYSA-N 2 0 275.400 1.118 10 0 CDAERP C[C@]1(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)CC[NH2+]C1 ZINC000261705639 140377576 /nfs/dbraw/zinc/37/75/76/140377576.db2.gz CZVOTHJDZUQRNZ-XQQFMLRXSA-N 2 0 256.415 1.192 10 0 CDAERP CC1(C)CN(CC(=O)N2CCc3ccccc32)CC[C@@H]1[NH3+] ZINC000261804562 140392001 /nfs/dbraw/zinc/39/20/01/140392001.db2.gz ZDMVUBHEVGZJNT-HNNXBMFYSA-N 2 0 287.407 1.635 10 0 CDAERP C[C@@H](NC(=O)NCC[N@@H+]1CCC[C@@H](C)C1)c1nccn1C ZINC000660395081 413098312 /nfs/dbraw/zinc/09/83/12/413098312.db2.gz GRUHBIQNAZKQQA-CHWSQXEVSA-N 2 0 293.415 1.512 10 0 CDAERP CO[C@H](C[N@@H+]1CCC[C@H]([NH+](C)C)CC1)[C@@H]1CCOC1 ZINC000660415148 413109942 /nfs/dbraw/zinc/10/99/42/413109942.db2.gz AJORFUDGKXCQLH-QLFBSQMISA-N 2 0 270.417 1.454 10 0 CDAERP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCCSCC2)CC1(C)C ZINC000658004435 413128850 /nfs/dbraw/zinc/12/88/50/413128850.db2.gz ZYDHSGWHRRCBTB-CQSZACIVSA-N 2 0 285.501 1.888 10 0 CDAERP C[C@@H]1C[C@@H](NC[C@@H]2CC[NH+]2C(C)(C)C)CC[N@@H+]1C ZINC000658057286 413161547 /nfs/dbraw/zinc/16/15/47/413161547.db2.gz OJKVNYKAVQXAKW-RDBSUJKOSA-N 2 0 253.434 1.932 10 0 CDAERP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCCCC[C@@H]1CCO ZINC000660495425 413172076 /nfs/dbraw/zinc/17/20/76/413172076.db2.gz JQHKSUVHVZPNDO-HUUCEWRRSA-N 2 0 272.433 1.315 10 0 CDAERP Cn1cnc(CCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000647801609 397607873 /nfs/dbraw/zinc/60/78/73/397607873.db2.gz ZCDCJSDDHTXEIG-RBSFLKMASA-N 2 0 291.443 1.648 10 0 CDAERP CC(C)C[C@H]([NH2+][C@H]1CCC1(C)C)C(=O)NCC[NH+](C)C ZINC000342718517 397627309 /nfs/dbraw/zinc/62/73/09/397627309.db2.gz YQCQKXXMYIKLFX-KBPBESRZSA-N 2 0 283.460 1.857 10 0 CDAERP Cc1cnn(CC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000388612109 397790738 /nfs/dbraw/zinc/79/07/38/397790738.db2.gz CQFWGJUKRGSVGN-CABCVRRESA-N 2 0 262.401 1.656 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(Cn2cnnc2)CC1 ZINC000649788479 397957110 /nfs/dbraw/zinc/95/71/10/397957110.db2.gz XFFREMHFCOHBGL-MRXNPFEDSA-N 2 0 291.443 1.865 10 0 CDAERP COC[C@H](CC[NH2+][C@H](C)C1CC[NH+](C)CC1)OC ZINC000658083732 413182601 /nfs/dbraw/zinc/18/26/01/413182601.db2.gz BABIEMIDJRKLTL-OCCSQVGLSA-N 2 0 258.406 1.358 10 0 CDAERP CC[NH+]1CCC(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC000105084257 147211183 /nfs/dbraw/zinc/21/11/83/147211183.db2.gz GANLEMVDFXESHS-HNNXBMFYSA-N 2 0 294.443 1.350 10 0 CDAERP CCCCC[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000117880146 147292634 /nfs/dbraw/zinc/29/26/34/147292634.db2.gz IKEFPAXCIQELNC-QGZVFWFLSA-N 2 0 297.487 1.903 10 0 CDAERP CN(CCC[NH+](C)C)CCNC(=O)NCCC(F)(F)F ZINC000664267797 413212246 /nfs/dbraw/zinc/21/22/46/413212246.db2.gz XQNGROBKMWXQAM-UHFFFAOYSA-N 2 0 298.353 1.122 10 0 CDAERP Cn1cc(C2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)cn1 ZINC000262025333 149004496 /nfs/dbraw/zinc/00/44/96/149004496.db2.gz NNRYGQHPPDDGAU-HNNXBMFYSA-N 2 0 262.401 1.599 10 0 CDAERP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc2ccccc2s1 ZINC000262129479 149023773 /nfs/dbraw/zinc/02/37/73/149023773.db2.gz NSUARTXUDWMTBC-DGCLKSJQSA-N 2 0 262.378 1.571 10 0 CDAERP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000262412869 149060486 /nfs/dbraw/zinc/06/04/86/149060486.db2.gz QTHVDUYJUGCYHY-LBPRGKRZSA-N 2 0 275.396 1.851 10 0 CDAERP C[N@H+](C[C@@H](O)CN1CCC(C[NH+]2CCCC2)CC1)C1CC1 ZINC000315028814 149257682 /nfs/dbraw/zinc/25/76/82/149257682.db2.gz WCRKFQJKPWKTFH-QGZVFWFLSA-N 2 0 295.471 1.249 10 0 CDAERP C[C@H]1C[NH2+]CCN1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000335170510 150364879 /nfs/dbraw/zinc/36/48/79/150364879.db2.gz RAGJIEXTGFYPBJ-HSBZDZAISA-N 2 0 280.416 1.007 10 0 CDAERP CCC[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001664396064 1172848864 /nfs/dbraw/zinc/84/88/64/1172848864.db2.gz ZZYUTWMVXVNFBH-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP C[NH+]1CCC(C(=O)N2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000335800297 151031092 /nfs/dbraw/zinc/03/10/92/151031092.db2.gz PDELZIBPBDWVMP-UHFFFAOYSA-N 2 0 293.455 1.663 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000335837730 151062199 /nfs/dbraw/zinc/06/21/99/151062199.db2.gz FJHSLDKTUMOFEC-UKRRQHHQSA-N 2 0 281.444 1.517 10 0 CDAERP C[C@H]([NH2+]CCCF)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001664467268 1172856758 /nfs/dbraw/zinc/85/67/58/1172856758.db2.gz IJGFARLNAYSMQW-DZGCQCFKSA-N 2 0 299.434 1.514 10 0 CDAERP CC(C)C[C@@H](CNC(=O)c1cc(C(C)(C)[NH3+])no1)[NH+](C)C ZINC000662673535 413290097 /nfs/dbraw/zinc/29/00/97/413290097.db2.gz MLHXHOFNVQIGMH-NSHDSACASA-N 2 0 296.415 1.575 10 0 CDAERP CC[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000349810449 154224122 /nfs/dbraw/zinc/22/41/22/154224122.db2.gz ZTWFYJJDTXEUET-HNNXBMFYSA-N 2 0 294.443 1.349 10 0 CDAERP C[C@H]([NH2+][C@H]1C[C@H](O)C12CCC2)C1CC[NH+](C)CC1 ZINC000658252683 413316967 /nfs/dbraw/zinc/31/69/67/413316967.db2.gz JVWRBPJROUVABB-UBHSHLNASA-N 2 0 252.402 1.610 10 0 CDAERP CCN(C(=O)N[C@@H]1C[C@H](C)[NH+](C2CC2)C1)[C@@H]1CC[N@H+](C)C1 ZINC000664366699 413318490 /nfs/dbraw/zinc/31/84/90/413318490.db2.gz BIFQUOQTCYMFDG-GZBFAFLISA-N 2 0 294.443 1.347 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)CC1CC[NH+](C)CC1 ZINC000362853345 159253067 /nfs/dbraw/zinc/25/30/67/159253067.db2.gz DWCVKUOOJPCFKY-UHFFFAOYSA-N 2 0 269.433 1.566 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000662730932 413397453 /nfs/dbraw/zinc/39/74/53/413397453.db2.gz VKDGHPRGRHOGTA-MJBXVCDLSA-N 2 0 269.433 1.774 10 0 CDAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C1C[NH2+]C1 ZINC000364635294 159372401 /nfs/dbraw/zinc/37/24/01/159372401.db2.gz SLQDQUNEHAKXGV-XJKSGUPXSA-N 2 0 287.407 1.233 10 0 CDAERP CCSCC[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000372676964 160139390 /nfs/dbraw/zinc/13/93/90/160139390.db2.gz SGYXRAQPVUBKEM-UHFFFAOYSA-N 2 0 285.501 1.888 10 0 CDAERP COC[C@@H](O)C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000374876169 160323059 /nfs/dbraw/zinc/32/30/59/160323059.db2.gz NISIRPIXFOPCPM-XIRDDKMYSA-N 2 0 292.423 1.494 10 0 CDAERP C[NH2+]C[C@@H](C)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000375071639 160342776 /nfs/dbraw/zinc/34/27/76/160342776.db2.gz PWGUTJCLTUPEAL-SECBINFHSA-N 2 0 265.332 1.265 10 0 CDAERP C[C@H](C[NH3+])CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000418490560 298525173 /nfs/dbraw/zinc/52/51/73/298525173.db2.gz NEXDOWHEGKJFAS-ZIAGYGMSSA-N 2 0 282.432 1.241 10 0 CDAERP [NH3+]C1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000020596097 171265196 /nfs/dbraw/zinc/26/51/96/171265196.db2.gz ROXMSYPWYIEHAR-INIZCTEOSA-N 2 0 259.397 1.684 10 0 CDAERP CCC[NH+]1CCN([C@@H](C[NH3+])c2ccc(C)o2)CC1 ZINC000022177932 171371470 /nfs/dbraw/zinc/37/14/70/171371470.db2.gz UGICBYLIOUARQV-ZDUSSCGKSA-N 2 0 251.374 1.615 10 0 CDAERP CC[NH+]1CCN([C@H](C[NH3+])c2cccc(F)c2)CC1 ZINC000022220319 171377390 /nfs/dbraw/zinc/37/73/90/171377390.db2.gz ITEAKWZGNLYAPN-CQSZACIVSA-N 2 0 251.349 1.463 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000653214126 412142163 /nfs/dbraw/zinc/14/21/63/412142163.db2.gz HUDIRFVRMRHNMA-UHFFFAOYSA-N 2 0 295.386 1.939 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)CC(F)(F)CN ZINC000653176462 412117301 /nfs/dbraw/zinc/11/73/01/412117301.db2.gz WDAOAFTYNAZQFE-UHFFFAOYSA-N 2 0 265.348 1.065 10 0 CDAERP [NH3+]C[C@H](C(=O)NCCC1(C[NH3+])CC1)c1ccc(F)cc1 ZINC000653221026 412148360 /nfs/dbraw/zinc/14/83/60/412148360.db2.gz DHZGDEORQDLDQM-ZDUSSCGKSA-N 2 0 279.359 1.113 10 0 CDAERP CC(C)([NH3+])c1cc(C(=O)N2CCCC[C@H]2CC[NH3+])on1 ZINC000662777805 413482697 /nfs/dbraw/zinc/48/26/97/413482697.db2.gz CVNJYFXEQCLPOG-JTQLQIEISA-N 2 0 280.372 1.212 10 0 CDAERP CCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](CC=C(C)C)C1 ZINC001665730713 1173046634 /nfs/dbraw/zinc/04/66/34/1173046634.db2.gz FHHGNRFYLMQDFH-HNNXBMFYSA-N 2 0 281.444 1.827 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)C[NH2+]CC1CC1 ZINC000664719764 413615093 /nfs/dbraw/zinc/61/50/93/413615093.db2.gz YDZUHWRPMCZDAE-UHFFFAOYSA-N 2 0 255.406 1.223 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659347395 413740039 /nfs/dbraw/zinc/74/00/39/413740039.db2.gz DJCVKXSEFFYCRO-LCGIIJARSA-N 2 0 287.407 1.246 10 0 CDAERP Cc1ccc([C@H]([NH3+])C(=O)N[C@@H](C)c2nccn2C)cc1 ZINC000662932728 413718353 /nfs/dbraw/zinc/71/83/53/413718353.db2.gz DTVSVRDOWDCMKF-AAEUAGOBSA-N 2 0 272.352 1.606 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)N[C@@H](C)C[NH+](C)C ZINC000664896226 413719570 /nfs/dbraw/zinc/71/95/70/413719570.db2.gz KMSQLPQGHFGZFY-LBPRGKRZSA-N 2 0 272.437 1.356 10 0 CDAERP C[NH+](C)CC(C)(C)CNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407284334 413915456 /nfs/dbraw/zinc/91/54/56/413915456.db2.gz VRXPKNGVKVZLCC-CHWSQXEVSA-N 2 0 267.417 1.221 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407255503 413912537 /nfs/dbraw/zinc/91/25/37/413912537.db2.gz IPTQABQLZHFMCK-FPMFFAJLSA-N 2 0 267.417 1.364 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000659553016 413961285 /nfs/dbraw/zinc/96/12/85/413961285.db2.gz UGNLZIFBQGHPIR-CHWSQXEVSA-N 2 0 270.421 1.191 10 0 CDAERP C[C@@H](N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)C1C[NH2+]C1 ZINC000665252552 413979080 /nfs/dbraw/zinc/97/90/80/413979080.db2.gz SFBVBFGERIJOBB-DAXOMENPSA-N 2 0 259.397 1.330 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](COC)C(C)C)CC1 ZINC000665287174 414024581 /nfs/dbraw/zinc/02/45/81/414024581.db2.gz DNCHOUMNCTXAFF-OAHLLOKOSA-N 2 0 299.459 1.238 10 0 CDAERP CC(C)C(=O)NCC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C)C1 ZINC000037220609 173038834 /nfs/dbraw/zinc/03/88/34/173038834.db2.gz PLKHADQNUBJODO-QWHCGFSZSA-N 2 0 255.406 1.079 10 0 CDAERP Cn1ncc(C2CC2)c1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000657313429 414153187 /nfs/dbraw/zinc/15/31/87/414153187.db2.gz QPYOCVXHCJQYPI-UHFFFAOYSA-N 2 0 292.427 1.500 10 0 CDAERP C[C@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)Cn1cccn1 ZINC000657318997 414165112 /nfs/dbraw/zinc/16/51/12/414165112.db2.gz YNSPHTYMNBMCFO-CQSZACIVSA-N 2 0 296.378 1.890 10 0 CDAERP CO[C@@H](C)CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657342131 414185186 /nfs/dbraw/zinc/18/51/86/414185186.db2.gz HCGWEBKGTIVMMO-LBPRGKRZSA-N 2 0 260.341 1.782 10 0 CDAERP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655806530 414202003 /nfs/dbraw/zinc/20/20/03/414202003.db2.gz XXRVSMLOFGPAOM-DDHJSBNISA-N 2 0 251.418 1.399 10 0 CDAERP CCN(C(=O)NCC1([NH+](C)C)CCCC1)[C@@H]1CC[N@H+](C)C1 ZINC000663439671 414256058 /nfs/dbraw/zinc/25/60/58/414256058.db2.gz TYMJBEDRFCSRBB-CQSZACIVSA-N 2 0 296.459 1.596 10 0 CDAERP C[NH+](C)C[C@@H]1CC[N@H+](CC2(O)CCSCC2)C1 ZINC000659928591 414269724 /nfs/dbraw/zinc/26/97/24/414269724.db2.gz WAKOFNQEJKNWLP-LBPRGKRZSA-N 2 0 258.431 1.128 10 0 CDAERP C[C@@H]1CCCN(Cc2nc3c(s2)C[NH2+]CC3)[C@@H]1CC[NH3+] ZINC000663495795 414292606 /nfs/dbraw/zinc/29/26/06/414292606.db2.gz BBOXEFGEQLDKDX-DGCLKSJQSA-N 2 0 294.468 1.738 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)C2CCC2)CC1 ZINC000663505359 414307253 /nfs/dbraw/zinc/30/72/53/414307253.db2.gz ILAMPQJEXDNHLX-CYBMUJFWSA-N 2 0 281.444 1.755 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](COC)OC)C[C@H]1C ZINC000659983937 414324600 /nfs/dbraw/zinc/32/46/00/414324600.db2.gz YQBORBNEZKZYPI-HZSPNIEDSA-N 2 0 258.406 1.452 10 0 CDAERP C(C[NH+]1CC[C@@H]2COC[C@@H]2C1)C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662036186 414480698 /nfs/dbraw/zinc/48/06/98/414480698.db2.gz RBNNYPRSDPNSKL-NCOADZHNSA-N 2 0 294.439 1.313 10 0 CDAERP CO[C@@H](C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)C1CCCC1 ZINC000662267564 414602668 /nfs/dbraw/zinc/60/26/68/414602668.db2.gz WWSRWVAGFNNKRO-GJZGRUSLSA-N 2 0 252.402 1.877 10 0 CDAERP CCCC[C@H]([NH3+])C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000038029536 174020371 /nfs/dbraw/zinc/02/03/71/174020371.db2.gz FQTLWWNMUVRFDN-OLZOCXBDSA-N 2 0 255.406 1.495 10 0 CDAERP CC(C)CC[C@H](C)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031090 174025336 /nfs/dbraw/zinc/02/53/36/174025336.db2.gz JDOSEHKYYQEMNW-ZDUSSCGKSA-N 2 0 255.406 1.175 10 0 CDAERP O=C([C@@H]1CCC[N@@H+]1C1CCCCCCC1)N1CC[NH2+]CC1 ZINC000040508061 174302806 /nfs/dbraw/zinc/30/28/06/174302806.db2.gz ASSWIPNXXGJWTK-INIZCTEOSA-N 2 0 293.455 1.996 10 0 CDAERP CCCC(CCC)[N@@H+]1CCC[C@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508128 174303125 /nfs/dbraw/zinc/30/31/25/174303125.db2.gz JLNURXYZUMMEOF-HNNXBMFYSA-N 2 0 281.444 1.851 10 0 CDAERP CCC[N@H+](CCN1CCNC1=O)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748581 174393522 /nfs/dbraw/zinc/39/35/22/174393522.db2.gz QKXCGAMPDMEPKM-PBWFPOADSA-N 2 0 280.416 1.007 10 0 CDAERP CCC[N@H+](CCN1CCOCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748648 174393666 /nfs/dbraw/zinc/39/36/66/174393666.db2.gz XYBXQBGYOZCCQD-XYPWUTKMSA-N 2 0 281.444 1.314 10 0 CDAERP c1coc([C@@H](CN[C@H]2CCC[NH2+]C2)[NH+]2CCCC2)c1 ZINC000043324574 175006865 /nfs/dbraw/zinc/00/68/65/175006865.db2.gz MLVVTZKKQUABAR-UONOGXRCSA-N 2 0 263.385 1.758 10 0 CDAERP C[NH+](C)CCOc1cccc(N[C@@H]2CCC[NH2+]C2)c1 ZINC000043326501 175008283 /nfs/dbraw/zinc/00/82/83/175008283.db2.gz YBYLTSDSZBPOJR-CQSZACIVSA-N 2 0 263.385 1.791 10 0 CDAERP CC[C@H]([NH3+])[C@@H](c1ccccn1)N1CCC([NH+](C)C)CC1 ZINC000043339425 175013962 /nfs/dbraw/zinc/01/39/62/175013962.db2.gz XVRCEASNUXICMV-HOCLYGCPSA-N 2 0 276.428 1.886 10 0 CDAERP Cc1ccnc(N2CCC[N@@H+](C[C@@H](C)C[NH3+])CC2)c1 ZINC000043561293 175066278 /nfs/dbraw/zinc/06/62/78/175066278.db2.gz FBPHXVQOPSZMJP-AWEZNQCLSA-N 2 0 262.401 1.497 10 0 CDAERP CCOc1ccc([C@H](CN2CC[NH+](CC)CC2)[NH2+]C)cc1 ZINC000043805813 175107595 /nfs/dbraw/zinc/10/75/95/175107595.db2.gz FBFQQXBEDZMIGC-KRWDZBQOSA-N 2 0 291.439 1.983 10 0 CDAERP CCC[NH2+][C@@H]1CCC[C@H]1N1CC[NH+](CCC)CC1 ZINC000043805623 175107741 /nfs/dbraw/zinc/10/77/41/175107741.db2.gz ZHVZYVXXTOKKBT-HUUCEWRRSA-N 2 0 253.434 1.935 10 0 CDAERP CC[NH2+][C@@H]1CCCCCC[C@H]1N1CC[NH+](C)CC1 ZINC000043810727 175110321 /nfs/dbraw/zinc/11/03/21/175110321.db2.gz KWLZMYOTHUMTDM-HUUCEWRRSA-N 2 0 253.434 1.935 10 0 CDAERP CC[NH2+][C@@H](CN1CCC[N@H+](C)CC1)c1cccc(OC)c1 ZINC000043818385 175113276 /nfs/dbraw/zinc/11/32/76/175113276.db2.gz QHPNVVSHIAWSTE-KRWDZBQOSA-N 2 0 291.439 1.983 10 0 CDAERP C[NH2+][C@@H]1c2ccccc2OC[C@H]1N1CCC([NH+](C)C)CC1 ZINC000043897354 175119872 /nfs/dbraw/zinc/11/98/72/175119872.db2.gz IBFQIAHSNLYYDA-NVXWUHKLSA-N 2 0 289.423 1.734 10 0 CDAERP C[NH2+][C@@H]1CCCCC[C@@H]1N1CC[NH+](C(C)C)CC1 ZINC000043896894 175119892 /nfs/dbraw/zinc/11/98/92/175119892.db2.gz NWKHQOYVMZMYPS-CABCVRRESA-N 2 0 253.434 1.933 10 0 CDAERP CC[NH2+][C@H]1CCOC[C@H]1N1CCC(C[NH+](C)C)CC1 ZINC000043970749 175131731 /nfs/dbraw/zinc/13/17/31/175131731.db2.gz DYZKDLNBHVJXBP-LSDHHAIUSA-N 2 0 269.433 1.027 10 0 CDAERP C[C@H]([NH2+]CC1CC[NH+](C)CC1)C(=O)Nc1ccccc1 ZINC000044518265 175190772 /nfs/dbraw/zinc/19/07/72/175190772.db2.gz GGTKNDAOGVDPTN-ZDUSSCGKSA-N 2 0 275.396 1.945 10 0 CDAERP CCCCNC(=O)C[NH2+]CC1CC[NH+](CC)CC1 ZINC000044518477 175191236 /nfs/dbraw/zinc/19/12/36/175191236.db2.gz DKZFZODQGRHWJT-UHFFFAOYSA-N 2 0 255.406 1.224 10 0 CDAERP CC[C@H]1CC[N@H+](CC2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000044526808 175192185 /nfs/dbraw/zinc/19/21/85/175192185.db2.gz ULBZDZABMFPTKD-HNNXBMFYSA-N 3 0 253.434 1.792 10 0 CDAERP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000044533783 175197838 /nfs/dbraw/zinc/19/78/38/175197838.db2.gz AZAZDLXKTZZGAO-VXGBXAGGSA-N 2 0 288.395 1.849 10 0 CDAERP CN(C(=O)[C@H](C[NH3+])Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000044793723 175254293 /nfs/dbraw/zinc/25/42/93/175254293.db2.gz ZNOBOEKSYSNTSC-HNNXBMFYSA-N 2 0 289.423 1.357 10 0 CDAERP CCC[N@H+](CCC[C@@](C)([NH2+]CC)C(N)=O)C1CC1 ZINC000045387614 175373927 /nfs/dbraw/zinc/37/39/27/175373927.db2.gz SRHCTFYFFSFYQT-CQSZACIVSA-N 2 0 255.406 1.495 10 0 CDAERP CC(C)CN(CC[NH+](C)C)CC[C@@](C)(CO)[NH2+]C(C)C ZINC000070514001 175962863 /nfs/dbraw/zinc/96/28/63/175962863.db2.gz OJNNNFAKTKYFHB-INIZCTEOSA-N 2 0 287.492 1.645 10 0 CDAERP CC[NH+](CC)C[C@H](C)N1CC[C@@H]([NH2+]C(C)C)C1=O ZINC000071034709 176024604 /nfs/dbraw/zinc/02/46/04/176024604.db2.gz UTAIMKCHNAXIQZ-QWHCGFSZSA-N 2 0 255.406 1.316 10 0 CDAERP CC[NH+](CC)C[C@@H](C)N1CC[C@@H]([NH2+]C2CC2)C1=O ZINC000071034713 176024864 /nfs/dbraw/zinc/02/48/64/176024864.db2.gz MKJDWTGZSZOYJU-DGCLKSJQSA-N 2 0 253.390 1.070 10 0 CDAERP C[NH2+][C@H]1CCCN([C@@H](C)C[NH+]2CCCCC2)C1=O ZINC000071037361 176026109 /nfs/dbraw/zinc/02/61/09/176026109.db2.gz JFKJRRZCBDNQIZ-STQMWFEESA-N 2 0 253.390 1.071 10 0 CDAERP CCC[NH2+][C@@H]1CCCN([C@H](C)C[NH+]2CCCCC2)C1=O ZINC000071037371 176026211 /nfs/dbraw/zinc/02/62/11/176026211.db2.gz ANSVFHIMXKRXBA-HUUCEWRRSA-N 2 0 281.444 1.851 10 0 CDAERP CC[C@H]1CCC[C@H]([N@@H+]2CCC[C@@H]2C(=O)N2CC[NH2+]CC2)C1 ZINC000071126315 176035628 /nfs/dbraw/zinc/03/56/28/176035628.db2.gz ODXLQICMUMLZQI-HRCADAONSA-N 2 0 293.455 1.851 10 0 CDAERP CC[C@H]1CCC[C@H]([NH+]2CCN([C@@H](C)C[NH3+])CC2)C1 ZINC000071147663 176043354 /nfs/dbraw/zinc/04/33/54/176043354.db2.gz UEBBDYSSCBKLRU-KKUMJFAQSA-N 2 0 253.434 1.920 10 0 CDAERP COc1ccc(C[C@](C)(C[NH3+])N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000071169369 176050394 /nfs/dbraw/zinc/05/03/94/176050394.db2.gz YUOSKOPWVBHVEQ-DOTOQJQBSA-N 2 0 291.439 1.591 10 0 CDAERP C[NH2+]CC1(CN(C)C[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC000071191432 176069816 /nfs/dbraw/zinc/06/98/16/176069816.db2.gz WHWUUTNFZIFZFI-CQSZACIVSA-N 2 0 253.434 1.650 10 0 CDAERP CC[NH2+]Cc1cccc(N(C)C[C@@H]2CC[N@H+](C)C2)n1 ZINC000071191760 176071619 /nfs/dbraw/zinc/07/16/19/176071619.db2.gz QMNZSYUAALMKDY-CYBMUJFWSA-N 2 0 262.401 1.579 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)C[C@@H]2CC[NH+](C)C2)O1 ZINC000071192054 176073818 /nfs/dbraw/zinc/07/38/18/176073818.db2.gz KGKWTWUIQJNGEN-OWCLPIDISA-N 3 0 283.460 1.416 10 0 CDAERP C[NH2+][C@@H]1CCN(C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000071198099 176076800 /nfs/dbraw/zinc/07/68/00/176076800.db2.gz JYDXVXHMHZJUQM-MRXNPFEDSA-N 2 0 273.424 1.945 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CN2CCC[C@H]([NH2+]C3CC3)C2)C1 ZINC000071200524 176077777 /nfs/dbraw/zinc/07/77/77/176077777.db2.gz XKMVOSWBUKAEQH-HOCLYGCPSA-N 2 0 265.445 1.933 10 0 CDAERP [NH3+]Cc1cc(F)ccc1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000071263700 176096414 /nfs/dbraw/zinc/09/64/14/176096414.db2.gz NANHDJXTHJXMIQ-INIZCTEOSA-N 2 0 277.387 1.955 10 0 CDAERP CCC[NH+]1CCC([C@@H](C)[NH2+]C[C@H](O)COC)CC1 ZINC000071266344 176099723 /nfs/dbraw/zinc/09/97/23/176099723.db2.gz LBAFDBTYBLQHHA-OCCSQVGLSA-N 2 0 258.406 1.094 10 0 CDAERP CC[NH2+]C[C@@H]1CCN(CC[N@H+](C)C2CCCC2)C1 ZINC000071377489 176143135 /nfs/dbraw/zinc/14/31/35/176143135.db2.gz JLIQTMDDFLPYTO-AWEZNQCLSA-N 2 0 253.434 1.792 10 0 CDAERP CCC(CC)(C[NH3+])CN1CC[NH+](CC(C)(C)O)CC1 ZINC000071381780 176145561 /nfs/dbraw/zinc/14/55/61/176145561.db2.gz JFMWSWKIQVVFGI-UHFFFAOYSA-N 2 0 271.449 1.140 10 0 CDAERP CC[NH2+][C@@H]1CCCC[C@H]1CN1CC[NH+](CC(C)(C)O)CC1 ZINC000071381807 176145725 /nfs/dbraw/zinc/14/57/25/176145725.db2.gz PQLWDSGYHQTUCW-JKSUJKDBSA-N 2 0 297.487 1.543 10 0 CDAERP C[C@]1([NH2+]CCC[C@@H]([NH3+])c2ccccc2)CCS(=O)(=O)C1 ZINC000071401985 176154123 /nfs/dbraw/zinc/15/41/23/176154123.db2.gz KJGDCGZVBAGBQB-CABCVRRESA-N 2 0 296.436 1.633 10 0 CDAERP CN(CCC[NH+](C)C)c1nc(C[NH2+]C2CC2)cs1 ZINC000079969481 177589499 /nfs/dbraw/zinc/58/94/99/177589499.db2.gz IXTPJVADKZDOCT-UHFFFAOYSA-N 2 0 268.430 1.783 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000416829825 298989071 /nfs/dbraw/zinc/98/90/71/298989071.db2.gz NRWOKBGNYVFCNP-RYUDHWBXSA-N 2 0 270.421 1.286 10 0 CDAERP CCn1cncc1C[NH2+][C@@H]1CCN(c2ccccc2)C1=O ZINC000417898044 227105100 /nfs/dbraw/zinc/10/51/00/227105100.db2.gz JIHNCAWMWGIHED-OAHLLOKOSA-N 2 0 284.363 1.798 10 0 CDAERP CC1(C)NC(=O)CC[C@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658354259 423872950 /nfs/dbraw/zinc/87/29/50/423872950.db2.gz YZIUQAYNNLYCAC-OAHLLOKOSA-N 2 0 293.455 1.755 10 0 CDAERP CO[C@H](C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)C1CCCCC1 ZINC000662272594 423828988 /nfs/dbraw/zinc/82/89/88/423828988.db2.gz GWTNQWKXCAPZHE-IAGOWNOFSA-N 2 0 295.471 1.561 10 0 CDAERP CO[C@H](C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)C1CCC1 ZINC000662272908 423832508 /nfs/dbraw/zinc/83/25/08/423832508.db2.gz IHJTZXZDBUUQCG-QLFBSQMISA-N 2 0 252.402 1.733 10 0 CDAERP Cc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)nc(C)n1 ZINC000662274099 423837696 /nfs/dbraw/zinc/83/76/96/423837696.db2.gz REIRFLXPELPFDD-OKILXGFUSA-N 2 0 260.385 1.525 10 0 CDAERP [NH3+]Cc1cn([C@@H]2CCC[N@H+](CC[C@@H]3CCCCO3)C2)nn1 ZINC000662284021 423898560 /nfs/dbraw/zinc/89/85/60/423898560.db2.gz WTJHOJAVBMSKTH-CABCVRRESA-N 2 0 293.415 1.333 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCC1(C[NH3+])CC1 ZINC000652150470 423966541 /nfs/dbraw/zinc/96/65/41/423966541.db2.gz XUCLBUVHTPLARO-CYBMUJFWSA-N 2 0 282.432 1.289 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000652212179 424060567 /nfs/dbraw/zinc/06/05/67/424060567.db2.gz YSCSBAIEFWUYHP-CYBMUJFWSA-N 2 0 270.421 1.001 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)NCC1([NH3+])CCC1 ZINC000652212572 424061844 /nfs/dbraw/zinc/06/18/44/424061844.db2.gz FYPKMESTHBCEQH-UHFFFAOYSA-N 2 0 270.421 1.145 10 0 CDAERP CC(C)C[C@H]([NH3+])c1noc([C@@H]2C[C@]23CCC[NH2+]C3)n1 ZINC000653490723 424044213 /nfs/dbraw/zinc/04/42/13/424044213.db2.gz VLCUKRCSSFSOHK-MJVIPROJSA-N 2 0 264.373 1.973 10 0 CDAERP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000662403445 424044890 /nfs/dbraw/zinc/04/48/90/424044890.db2.gz WTTDKFPOLYZOKE-SOUVJXGZSA-N 2 0 295.471 1.859 10 0 CDAERP C[C@H]1CN(C(=O)NCCC2(C[NH3+])CC2)CC[N@@H+](C2CC2)C1 ZINC000652233253 424105759 /nfs/dbraw/zinc/10/57/59/424105759.db2.gz QKEFRGMACYYSQF-CYBMUJFWSA-N 2 0 294.443 1.241 10 0 CDAERP C[C@H]1CN(C)C[C@H]1[NH2+][C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000651966202 424252796 /nfs/dbraw/zinc/25/27/96/424252796.db2.gz WIKIHSYNEGXJLK-XZDPQHSOSA-N 2 0 275.396 1.841 10 0 CDAERP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653105310 424253471 /nfs/dbraw/zinc/25/34/71/424253471.db2.gz QAINVJBKTKNBFS-NXEZZACHSA-N 2 0 295.349 1.088 10 0 CDAERP C[C@H]1CCC[N@H+](CCN2CCCC2=O)[C@@H]1CC[NH3+] ZINC000652353880 424286356 /nfs/dbraw/zinc/28/63/56/424286356.db2.gz GFPVHIPEAMORQH-QWHCGFSZSA-N 2 0 253.390 1.058 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653116663 424299737 /nfs/dbraw/zinc/29/97/37/424299737.db2.gz OLYMZUHCOOCUBR-RBSFLKMASA-N 2 0 281.444 1.755 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000653126295 424322407 /nfs/dbraw/zinc/32/24/07/424322407.db2.gz RMKKXXCRXPJHEJ-YJNKXOJESA-N 2 0 279.428 1.495 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)NCCCCC[NH+]2CCCC2)C1 ZINC000652417825 424410279 /nfs/dbraw/zinc/41/02/79/424410279.db2.gz HXMAVRUNYMSELM-HNNXBMFYSA-N 2 0 296.459 1.646 10 0 CDAERP C[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1cnn(C)c1)[C@@H]1CCC[NH2+]1 ZINC000665273125 424486433 /nfs/dbraw/zinc/48/64/33/424486433.db2.gz QFPMFTLKOTVJSB-UKMLZYKCSA-N 2 0 276.428 1.861 10 0 CDAERP C[C@@H]([NH3+])C[C@H](C)[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000665274846 424486698 /nfs/dbraw/zinc/48/66/98/424486698.db2.gz ZOYSFWKQFNSQFL-LXTVHRRPSA-N 2 0 281.444 1.345 10 0 CDAERP CC(C)[C@H]([NH3+])CCN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000665283537 424494176 /nfs/dbraw/zinc/49/41/76/424494176.db2.gz PMUILFORQWFZFM-BMFZPTHFSA-N 2 0 263.429 1.908 10 0 CDAERP C[C@@H](C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@H]([NH3+])c1ccccc1 ZINC000655488986 424503270 /nfs/dbraw/zinc/50/32/70/424503270.db2.gz KOTDSRKBXFPVBB-VDERGJSUSA-N 2 0 289.423 1.779 10 0 CDAERP C[N@H+](CCNC(=O)C[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000395721705 270343752 /nfs/dbraw/zinc/34/37/52/270343752.db2.gz NPJKJGTUJYLPRO-MRXNPFEDSA-N 2 0 289.423 1.624 10 0 CDAERP C(C[C@@H]1CCCOC1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000530211041 271152291 /nfs/dbraw/zinc/15/22/91/271152291.db2.gz LYAJITSMDNCUBK-BYNSBNAKSA-N 2 0 252.402 1.781 10 0 CDAERP CN1C(=O)c2ccccc2[C@@H]1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000530221419 271163712 /nfs/dbraw/zinc/16/37/12/271163712.db2.gz FGLVMSQLQAFCCF-UGFHNGPFSA-N 2 0 273.380 1.530 10 0 CDAERP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353624223 277008364 /nfs/dbraw/zinc/00/83/64/277008364.db2.gz SZCZFUQJMNSJSB-XPABHHOTSA-N 2 0 279.428 1.364 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)C2CCC2)[C@H]2CCC[C@@H]21 ZINC000453372606 277171918 /nfs/dbraw/zinc/17/19/18/277171918.db2.gz GPGDGKAEVVEROE-QPSCCSFWSA-N 2 0 252.402 1.610 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000312917780 277562284 /nfs/dbraw/zinc/56/22/84/277562284.db2.gz LXSNKLJCEZTRNO-RYUDHWBXSA-N 2 0 299.440 1.502 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CC[NH2+]Cc1ccccn1 ZINC001668319774 1173395408 /nfs/dbraw/zinc/39/54/08/1173395408.db2.gz KKUZSGRPBLFJKI-AWEZNQCLSA-N 2 0 292.427 1.406 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)[C@H]1C ZINC000423518499 278024911 /nfs/dbraw/zinc/02/49/11/278024911.db2.gz ZSIYSLDCSCZRGE-HRMROMONSA-N 2 0 265.445 1.837 10 0 CDAERP CC1(C)CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC[C@H]1[NH3+] ZINC000262139054 278314529 /nfs/dbraw/zinc/31/45/29/278314529.db2.gz XBASEXIIPYGNAP-RFQIPJPRSA-N 2 0 279.428 1.493 10 0 CDAERP C[C@H]1OCC[C@@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000149489617 278518773 /nfs/dbraw/zinc/51/87/73/278518773.db2.gz OGNDDOZTUSTCRS-DOMZBBRYSA-N 2 0 261.369 1.817 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)N[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000418701298 278802862 /nfs/dbraw/zinc/80/28/62/278802862.db2.gz PHGPUELNHYAONS-VXGBXAGGSA-N 2 0 270.421 1.238 10 0 CDAERP CC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000038098277 279261813 /nfs/dbraw/zinc/26/18/13/279261813.db2.gz HTTKOSPJYLPBHF-SNPRPXQTSA-N 2 0 279.428 1.508 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000055089492 279321635 /nfs/dbraw/zinc/32/16/35/279321635.db2.gz SCIDFHXLAMMVGG-AGIUHOORSA-N 2 0 253.390 1.104 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000418202755 279381134 /nfs/dbraw/zinc/38/11/34/279381134.db2.gz UNZWOBYMJJZBGF-RWMBFGLXSA-N 2 0 270.421 1.012 10 0 CDAERP CCN(CC[NH2+]Cc1cccnc1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001668381858 1173406769 /nfs/dbraw/zinc/40/67/69/1173406769.db2.gz MLNACIMEFHLJRR-HNNXBMFYSA-N 2 0 290.411 1.114 10 0 CDAERP O=C(N[C@@H]1CCC[NH2+]CC1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000376384014 279881935 /nfs/dbraw/zinc/88/19/35/279881935.db2.gz HPUUBOVBQJSJFQ-SYQHCUMBSA-N 2 0 265.401 1.165 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N(C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245661403 280226333 /nfs/dbraw/zinc/22/63/33/280226333.db2.gz DFTJQKWNJNPSOY-SOUVJXGZSA-N 2 0 298.475 1.841 10 0 CDAERP CCC[C@H](C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[NH+](C)C ZINC000245898973 280237819 /nfs/dbraw/zinc/23/78/19/280237819.db2.gz TUHURYWPJJKQSF-MGPQQGTHSA-N 2 0 269.433 1.706 10 0 CDAERP CC[C@@H]1CN(CC[NH+]2CCCCC2)CC[N@@H+]1C[C@H](C)O ZINC000246787221 280304166 /nfs/dbraw/zinc/30/41/66/280304166.db2.gz PQTYZPWZVLKGMO-JKSUJKDBSA-N 2 0 283.460 1.249 10 0 CDAERP CC(C)(C)[C@H](O)C[C@H](CO)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000521899180 281076855 /nfs/dbraw/zinc/07/68/55/281076855.db2.gz MPGIDKLRSUYCPC-UMSGYPCISA-N 2 0 258.406 1.004 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000251600338 288297566 /nfs/dbraw/zinc/29/75/66/288297566.db2.gz DBSOYUILSIBZDY-RDBSUJKOSA-N 2 0 265.401 1.071 10 0 CDAERP CC1(C)CN(C(=O)C[C@H]2CCC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000335734504 281166424 /nfs/dbraw/zinc/16/64/24/281166424.db2.gz OOEPLZUHZDPBJA-STQMWFEESA-N 2 0 267.417 1.352 10 0 CDAERP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527658429 281167986 /nfs/dbraw/zinc/16/79/86/281167986.db2.gz ZXOYXZPFPLMQRI-XRGAULLZSA-N 2 0 265.445 1.647 10 0 CDAERP CC1(C)CN(C(=O)[C@@H](C[NH3+])c2ccccc2)CC[C@@H]1[NH3+] ZINC000261944043 281189684 /nfs/dbraw/zinc/18/96/84/281189684.db2.gz JQTWEEZUSPHLAK-KBPBESRZSA-N 2 0 275.396 1.315 10 0 CDAERP C[NH+](C)[C@H]1CC[C@H](NC(=O)N2CCC3(CC[NH2+]C3)CC2)C1 ZINC000334938147 289393153 /nfs/dbraw/zinc/39/31/53/289393153.db2.gz QQLNJKCNIBVMBR-KBPBESRZSA-N 2 0 294.443 1.254 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)C[NH+]2[C@H](C)C[C@H]2C)CC1 ZINC000547769979 289805982 /nfs/dbraw/zinc/80/59/82/289805982.db2.gz KXBYMZVHAZZNQW-CHWSQXEVSA-N 2 0 267.417 1.458 10 0 CDAERP CCc1ncc(C[NH2+]Cc2ccc3c[nH+]cn3c2)cn1 ZINC000556907559 290315316 /nfs/dbraw/zinc/31/53/16/290315316.db2.gz BFFBNDKHDZCXTD-UHFFFAOYSA-N 2 0 267.336 1.977 10 0 CDAERP [NH3+]C[C@H](NC(=O)N1CC[NH+]2CCC1CC2)C1CCCCC1 ZINC000557213673 290336790 /nfs/dbraw/zinc/33/67/90/290336790.db2.gz ONMCYQALWPHTGT-HNNXBMFYSA-N 2 0 294.443 1.384 10 0 CDAERP NC(=O)CC[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000561816183 293103733 /nfs/dbraw/zinc/10/37/33/293103733.db2.gz HWUFUIYOOWZUHD-UHFFFAOYSA-N 2 0 275.396 1.638 10 0 CDAERP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000562745519 293189860 /nfs/dbraw/zinc/18/98/60/293189860.db2.gz OZUJSEVXPDWBRC-XJKSGUPXSA-N 2 0 270.380 1.960 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000562745518 293189975 /nfs/dbraw/zinc/18/99/75/293189975.db2.gz OZUJSEVXPDWBRC-CZUORRHYSA-N 2 0 270.380 1.960 10 0 CDAERP CC[NH2+]CCC[NH2+][C@H](C)Cc1ccn(C(C)C)n1 ZINC000564822963 293422496 /nfs/dbraw/zinc/42/24/96/293422496.db2.gz XXAHNXAVPYLUSA-CYBMUJFWSA-N 2 0 252.406 1.984 10 0 CDAERP C[NH+]1CCN(C[C@H](O)C[NH2+]CC2CCC(C)(C)CC2)CC1 ZINC000568381851 294023720 /nfs/dbraw/zinc/02/37/20/294023720.db2.gz CGQLOVFSXCDHRN-MRXNPFEDSA-N 2 0 297.487 1.401 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000568649406 294078040 /nfs/dbraw/zinc/07/80/40/294078040.db2.gz FPKHEJQWOGTKPL-RDBSUJKOSA-N 2 0 267.417 1.127 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1n1cccn1 ZINC000568748544 294092800 /nfs/dbraw/zinc/09/28/00/294092800.db2.gz CZMGLJGGQJEQIB-VUTBBZFHSA-N 2 0 290.411 1.474 10 0 CDAERP Cc1nn(C)c(C)c1C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000570782433 294306212 /nfs/dbraw/zinc/30/62/12/294306212.db2.gz PEOFUPQAZWIJJQ-GXFFZTMASA-N 2 0 250.390 1.515 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000572599585 294654932 /nfs/dbraw/zinc/65/49/32/294654932.db2.gz DPEAVRKCFDAKDH-GFJIZPEISA-N 2 0 267.417 1.221 10 0 CDAERP [NH3+]CC1(CC(=O)N2CCC[N@@H+](C3CC3)CC2)CCCCC1 ZINC000184230703 295221551 /nfs/dbraw/zinc/22/15/51/295221551.db2.gz OZFQZUONKBBEHM-UHFFFAOYSA-N 2 0 293.455 1.982 10 0 CDAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000156797551 300314011 /nfs/dbraw/zinc/31/40/11/300314011.db2.gz VKECQJIDTMEISG-BLLLJJGKSA-N 2 0 285.391 1.599 10 0 CDAERP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)C1CC[NH2+]CC1 ZINC000335429207 303430906 /nfs/dbraw/zinc/43/09/06/303430906.db2.gz NNHWDPREFBNQDR-HNNXBMFYSA-N 2 0 273.380 1.071 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]CC1CCCC1 ZINC001669720992 1173590460 /nfs/dbraw/zinc/59/04/60/1173590460.db2.gz UITHXIRWMDCYOW-ZDUSSCGKSA-N 2 0 269.433 1.613 10 0 CDAERP CC(C)OCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001669924645 1173630398 /nfs/dbraw/zinc/63/03/98/1173630398.db2.gz FCXCGJHBHHGDQT-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP CC[NH2+]CCCNC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000578729999 324006051 /nfs/dbraw/zinc/00/60/51/324006051.db2.gz GMLWBSFUORHWDI-ZIAGYGMSSA-N 2 0 284.448 1.358 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NCCCCC[NH+]2CCCC2)C1 ZINC000579493520 324205678 /nfs/dbraw/zinc/20/56/78/324205678.db2.gz LIJFDQDKHRTPNZ-HNNXBMFYSA-N 2 0 281.444 1.711 10 0 CDAERP C[C@H]1C[C@@H](N(C)C(=O)CC2(C[NH3+])CC2)CC[N@@H+]1C ZINC000579953883 324325805 /nfs/dbraw/zinc/32/58/05/324325805.db2.gz QSIWAKYSZLXBJZ-RYUDHWBXSA-N 2 0 253.390 1.057 10 0 CDAERP OCC[N@@H+]1CCCC[C@H]1CNC1CC[NH+](CC2CC2)CC1 ZINC000582586733 325003013 /nfs/dbraw/zinc/00/30/13/325003013.db2.gz HAHFVEZKMVCXFP-KRWDZBQOSA-N 2 0 295.471 1.297 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH2+][C@H]2C)[C@@H](C)C1 ZINC000582847505 325056064 /nfs/dbraw/zinc/05/60/64/325056064.db2.gz RRHQNLQVNXDHJO-FQUUOJAGSA-N 2 0 267.417 1.173 10 0 CDAERP [NH3+]CCCCC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000583204970 325128416 /nfs/dbraw/zinc/12/84/16/325128416.db2.gz CXZKPXJTHPNMSX-CQSZACIVSA-N 2 0 261.369 1.200 10 0 CDAERP C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1=CC[NH+](C)CC1 ZINC000583880670 325260479 /nfs/dbraw/zinc/26/04/79/325260479.db2.gz GGJWSSKYYBWAFT-OLZOCXBDSA-N 2 0 265.401 1.095 10 0 CDAERP C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CC1CC1 ZINC001731600253 1159313716 /nfs/dbraw/zinc/31/37/16/1159313716.db2.gz UMXGDNAHUHJJQB-JSGCOSHPSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]CCC(F)(F)F ZINC001267998794 1159642919 /nfs/dbraw/zinc/64/29/19/1159642919.db2.gz MHGJCESVPLLHGZ-WDEREUQCSA-N 2 0 295.349 1.375 10 0 CDAERP C[C@H](F)CC[NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001268574152 1159978909 /nfs/dbraw/zinc/97/89/09/1159978909.db2.gz SNJINOYSIGKMKV-WSNITJDQSA-N 2 0 299.434 1.871 10 0 CDAERP [NH3+]C1(CC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000398190020 482246422 /nfs/dbraw/zinc/24/64/22/482246422.db2.gz RBYHQBNMNAVUCV-HNNXBMFYSA-N 2 0 287.407 1.821 10 0 CDAERP [NH3+]C1(CC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000398190021 482246699 /nfs/dbraw/zinc/24/66/99/482246699.db2.gz RBYHQBNMNAVUCV-OAHLLOKOSA-N 2 0 287.407 1.821 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc(C[NH3+])o1 ZINC000094565664 482533054 /nfs/dbraw/zinc/53/30/54/482533054.db2.gz IRQOKZBRQCTIHW-LLVKDONJSA-N 2 0 267.373 1.444 10 0 CDAERP CC(C)([NH3+])CC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000669518317 482545984 /nfs/dbraw/zinc/54/59/84/482545984.db2.gz HRICTBVSMVUELK-UHFFFAOYSA-N 2 0 263.385 1.144 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)C1 ZINC000659612373 482649509 /nfs/dbraw/zinc/64/95/09/482649509.db2.gz WHKDXAUXOXGGTJ-GXTWGEPZSA-N 2 0 280.416 1.007 10 0 CDAERP NC(=O)c1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000334398920 482723448 /nfs/dbraw/zinc/72/34/48/482723448.db2.gz DPDTZHCIXBAFRN-MRXNPFEDSA-N 2 0 273.380 1.361 10 0 CDAERP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NC/C=C\C[NH3+])C1 ZINC000669405912 482905392 /nfs/dbraw/zinc/90/53/92/482905392.db2.gz NFZQHYYGQSGJDS-HLMASZERSA-N 2 0 296.459 1.557 10 0 CDAERP CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@@H]([NH3+])C(C)C ZINC000136299041 482907987 /nfs/dbraw/zinc/90/79/87/482907987.db2.gz DYMYFFWQEYXVII-ZIAGYGMSSA-N 2 0 271.449 1.987 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000666853065 482950531 /nfs/dbraw/zinc/95/05/31/482950531.db2.gz BJMXEKLDEXLKEV-CABCVRRESA-N 3 0 285.395 1.935 10 0 CDAERP Cc1cc(C)n2c(CN[C@@H]3C[NH2+]CC[C@H]3C)cnc2n1 ZINC000666860519 482954033 /nfs/dbraw/zinc/95/40/33/482954033.db2.gz PHUSNPUCAOTSCK-QMTHXVAHSA-N 2 0 273.384 1.434 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000089457977 483080977 /nfs/dbraw/zinc/08/09/77/483080977.db2.gz BEGUXCGPDHNWER-HOCLYGCPSA-N 2 0 293.455 1.838 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089460916 483087610 /nfs/dbraw/zinc/08/76/10/483087610.db2.gz KJVKVEPGRMHPSD-ZIAGYGMSSA-N 2 0 267.417 1.210 10 0 CDAERP CC(C)C([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)C(C)C ZINC000678901197 483216732 /nfs/dbraw/zinc/21/67/32/483216732.db2.gz IVMUHPYRQQEWAA-UHFFFAOYSA-N 2 0 295.471 2.000 10 0 CDAERP CC(C)[C@H]([NH3+])CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000669503350 483321721 /nfs/dbraw/zinc/32/17/21/483321721.db2.gz CLHXLPYKYYVBFO-WTUNAVPPSA-N 2 0 282.432 1.284 10 0 CDAERP CN(CCC(=O)N1CC[C@@H](C[NH+](C)C)C1)c1cc[nH+]cc1 ZINC000679408323 483360657 /nfs/dbraw/zinc/36/06/57/483360657.db2.gz DPMTXNPIKAYEPJ-AWEZNQCLSA-N 2 0 290.411 1.318 10 0 CDAERP CC[N@@H+]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C ZINC000679412540 483362910 /nfs/dbraw/zinc/36/29/10/483362910.db2.gz WVUJUNZQFREWSK-CQSZACIVSA-N 2 0 290.411 1.461 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000136405912 483402320 /nfs/dbraw/zinc/40/23/20/483402320.db2.gz BVBVWDWPHMAQRM-KBPBESRZSA-N 2 0 267.417 1.447 10 0 CDAERP CC[NH+]1CCC(CNC(=O)C[C@@H]([NH3+])C(C)C)CC1 ZINC000136444917 483404344 /nfs/dbraw/zinc/40/43/44/483404344.db2.gz FEUDWDZKZMSDSC-CYBMUJFWSA-N 2 0 255.406 1.208 10 0 CDAERP C[C@H](CN1CCOCC1)C(=O)Nc1ccc2nccn2c1 ZINC000680010750 483515782 /nfs/dbraw/zinc/51/57/82/483515782.db2.gz FZZGOPIZFISIHD-GFCCVEGCSA-N 2 0 288.351 1.241 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)NCC[NH+]2CCCC(C)(C)C2)C1 ZINC000683542319 483574454 /nfs/dbraw/zinc/57/44/54/483574454.db2.gz GFBJLVLMLFGNMV-AWEZNQCLSA-N 2 0 296.459 1.502 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000055088815 519715962 /nfs/dbraw/zinc/71/59/62/519715962.db2.gz WRQLGQRYQBEOGE-ZIAGYGMSSA-N 2 0 269.433 1.550 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]CCC1CC1 ZINC001671388890 1160978354 /nfs/dbraw/zinc/97/83/54/1160978354.db2.gz HLWRXSNMAUDTOG-HNNXBMFYSA-N 2 0 281.444 1.707 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000061273732 520062946 /nfs/dbraw/zinc/06/29/46/520062946.db2.gz FUXXHBWYGUMCTN-KBPBESRZSA-N 2 0 269.433 1.611 10 0 CDAERP CCO[C@H](C[NH3+])CC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000062741096 520516058 /nfs/dbraw/zinc/51/60/58/520516058.db2.gz JWDIDTDSDJRQTE-AWEZNQCLSA-N 3 0 257.422 1.014 10 0 CDAERP C[NH2+]Cc1cc(C[NH+]2CCC(OC)CC2)c(C)o1 ZINC000052455452 522106888 /nfs/dbraw/zinc/10/68/88/522106888.db2.gz OVUJOENKPYPCCK-UHFFFAOYSA-N 2 0 252.358 1.918 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000055077832 522111175 /nfs/dbraw/zinc/11/11/75/522111175.db2.gz OXRISZKCTSNEGO-CHWSQXEVSA-N 2 0 253.390 1.071 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)[C@H]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000055131957 519624370 /nfs/dbraw/zinc/62/43/70/519624370.db2.gz LWTGHYXHCOCVSH-XQQFMLRXSA-N 2 0 255.406 1.206 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055088808 519715516 /nfs/dbraw/zinc/71/55/16/519715516.db2.gz WRQLGQRYQBEOGE-KGLIPLIRSA-N 2 0 269.433 1.550 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000236789830 519732173 /nfs/dbraw/zinc/73/21/73/519732173.db2.gz AJQIFIWVCNDZGT-MGPQQGTHSA-N 2 0 267.417 1.208 10 0 CDAERP CC(C)C[NH2+]CC1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000068890162 519743300 /nfs/dbraw/zinc/74/33/00/519743300.db2.gz OVPWIGKYLGZGPQ-GFCCVEGCSA-N 2 0 282.350 1.867 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CC[C@@H](C[N@@H+]2CCCN(C)CC2)O1 ZINC000052424388 519745418 /nfs/dbraw/zinc/74/54/18/519745418.db2.gz ISFONZCSVFBFQV-HOTGVXAUSA-N 2 0 283.460 1.417 10 0 CDAERP CC(C)[C@@H](C[NH3+])C(=O)NCCCC[N@H+](C)C(C)C ZINC000045708625 519794300 /nfs/dbraw/zinc/79/43/00/519794300.db2.gz XPBYVUZWYQWIKI-CYBMUJFWSA-N 2 0 257.422 1.454 10 0 CDAERP CC(C)[C@@H]1CN(CCC[NH+](C)C)[C@H](C(C)C)C[NH2+]1 ZINC000062626061 519804343 /nfs/dbraw/zinc/80/43/43/519804343.db2.gz RXMSQPQUMDOQGU-GJZGRUSLSA-N 2 0 255.450 1.893 10 0 CDAERP CCC[NH+]1CCC(C[NH3+])(N2CC[NH+](CC(C)C)CC2)CC1 ZINC000055078484 519842337 /nfs/dbraw/zinc/84/23/37/519842337.db2.gz OMJPZXQPEIIGMC-UHFFFAOYSA-N 3 0 296.503 1.463 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000236771645 519843388 /nfs/dbraw/zinc/84/33/88/519843388.db2.gz CKMZFQUEMCVLMY-UHFFFAOYSA-N 2 0 289.423 1.997 10 0 CDAERP CCCNC(=O)CC[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]CCC)C2 ZINC000054629082 519870714 /nfs/dbraw/zinc/87/07/14/519870714.db2.gz OWHMKJJPPVFCNK-GOOCMWNKSA-N 2 0 281.444 1.898 10 0 CDAERP CC[NH2+]CC1(CN2CC[NH+]([C@@H](C)CC)CC2)CCOCC1 ZINC000055072781 519913547 /nfs/dbraw/zinc/91/35/47/519913547.db2.gz SYKQBTSQMYPXMM-INIZCTEOSA-N 2 0 297.487 1.809 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@@H](C[N@H+]2C[C@@H](C)O[C@@H](C)C2)O1 ZINC000052380801 519954268 /nfs/dbraw/zinc/95/42/68/519954268.db2.gz JAAOEOHGBRDMQR-CRWXNKLISA-N 2 0 256.390 1.253 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@H+](CCOC)CC(C)C)O1 ZINC000052508696 519978089 /nfs/dbraw/zinc/97/80/89/519978089.db2.gz XSPQSVGLTNBIOY-CABCVRRESA-N 2 0 272.433 1.748 10 0 CDAERP CC[NH2+][C@@H]1CCC[C@@H]1CN(C)CC[NH+]1CCCC1 ZINC000063053634 520118158 /nfs/dbraw/zinc/11/81/58/520118158.db2.gz JMIPEYRVLTYVKH-HUUCEWRRSA-N 2 0 253.434 1.792 10 0 CDAERP CC[NH2+][C@@H]1CCC[C@H]1N1CC[NH+](CC(C)C)CC1 ZINC000055079338 520118845 /nfs/dbraw/zinc/11/88/45/520118845.db2.gz SYLUOEIXNRLDGF-HUUCEWRRSA-N 2 0 253.434 1.791 10 0 CDAERP CC[NH2+][C@@H]1CCCC[C@H]1N1CCN(CC[NH+](C)C)CC1 ZINC000061643978 520119477 /nfs/dbraw/zinc/11/94/77/520119477.db2.gz RRRWDTMPOUFDID-HZPDHXFCSA-N 2 0 282.476 1.086 10 0 CDAERP CC[NH2+][C@@](C)(C[C@H](C)N1CC[NH+]([C@@H](C)CC)CC1)C(N)=O ZINC000068642484 520145834 /nfs/dbraw/zinc/14/58/34/520145834.db2.gz VLKJRDXRRVKSKY-DZKIICNBSA-N 2 0 298.475 1.035 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000061270043 520166849 /nfs/dbraw/zinc/16/68/49/520166849.db2.gz UZRBMSRXJYODTA-OLZOCXBDSA-N 2 0 257.422 1.467 10 0 CDAERP CC[NH2+][C@](C)(CO)CCCCN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000070337121 520231038 /nfs/dbraw/zinc/23/10/38/520231038.db2.gz JKOUNXLTGCBOBE-SJORKVTESA-N 2 0 297.487 1.687 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(CC[C@@H]2CCCC[NH2+]2)C1 ZINC000062980189 520872735 /nfs/dbraw/zinc/87/27/35/520872735.db2.gz SAIPFIMGAAKGHC-GJZGRUSLSA-N 2 0 253.434 1.935 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000226397551 521069441 /nfs/dbraw/zinc/06/94/41/521069441.db2.gz OLYPDHSFYAADNQ-NWDGAFQWSA-N 2 0 253.390 1.104 10 0 CDAERP CCC(CC)(C[NH3+])C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000061644101 521422110 /nfs/dbraw/zinc/42/21/10/521422110.db2.gz QTFZDMXCXBTUBO-LBPRGKRZSA-N 2 0 255.406 1.304 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCCC[NH2+]2)C1 ZINC000049225207 521617616 /nfs/dbraw/zinc/61/76/16/521617616.db2.gz OJTPFHDYLFPPNH-QWHCGFSZSA-N 2 0 253.390 1.119 10 0 CDAERP CC[C@@H](C)[N@H+](CCOC)Cc1cccnc1C[NH3+] ZINC000061656813 522092690 /nfs/dbraw/zinc/09/26/90/522092690.db2.gz YBYZSNSFJYQIBU-GFCCVEGCSA-N 2 0 251.374 1.787 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000055078255 522111276 /nfs/dbraw/zinc/11/12/76/522111276.db2.gz QPNBCYWZGBFUOW-ZIAGYGMSSA-N 2 0 267.417 1.319 10 0 CDAERP CC[C@H](CC[NH3+])N1CC[NH+](CCCn2ccnc2)CC1 ZINC000049327486 522128799 /nfs/dbraw/zinc/12/87/99/522128799.db2.gz KBMIUWLTXVDDSU-OAHLLOKOSA-N 2 0 279.432 1.018 10 0 CDAERP C[NH2+]Cc1ccnc(N2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000062971462 522139318 /nfs/dbraw/zinc/13/93/18/522139318.db2.gz VMPJCYQYGQKJKS-OAHLLOKOSA-N 2 0 274.412 1.866 10 0 CDAERP C[NH2+]Cc1oc(CN2CCC[C@@H]2C[NH+](C)C)cc1C ZINC000061654751 522159380 /nfs/dbraw/zinc/15/93/80/522159380.db2.gz WIZQZRDHZVKLKM-CYBMUJFWSA-N 2 0 265.401 1.833 10 0 CDAERP C[NH2+]Cc1occc1C[N@H+](C)C[C@H]1CCCCO1 ZINC000052507353 522163877 /nfs/dbraw/zinc/16/38/77/522163877.db2.gz SQLRTXXZKXCSQD-CYBMUJFWSA-N 2 0 252.358 2.000 10 0 CDAERP C[NH2+][C@@H]1CCCC[C@H]1N1CC[NH+](CC(C)C)CC1 ZINC000055079250 522376795 /nfs/dbraw/zinc/37/67/95/522376795.db2.gz ZIOOSNRMUNKHJQ-HUUCEWRRSA-N 2 0 253.434 1.791 10 0 CDAERP COC[C@H](C)[N@H+](C)CCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000052511696 522593647 /nfs/dbraw/zinc/59/36/47/522593647.db2.gz WYNNNHYKEUMJFQ-LBPRGKRZSA-N 2 0 283.420 1.133 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CC[NH2+]C1CCC(C(N)=O)CC1 ZINC000052205739 523794344 /nfs/dbraw/zinc/79/43/44/523794344.db2.gz URCLZEHPTUCVMP-JXQTWKCFSA-N 2 0 267.417 1.495 10 0 CDAERP C[NH+]1CCCC[C@H]1CCNC[C@H]1CCC[N@@H+](C)C1 ZINC000052206132 523840324 /nfs/dbraw/zinc/84/03/24/523840324.db2.gz ZEAODRZVKDYCMZ-CABCVRRESA-N 2 0 253.434 1.792 10 0 CDAERP C[NH+]1CCN(CC2(C[NH2+]C(C)(C)C)CCOCC2)CC1 ZINC000052180725 523895624 /nfs/dbraw/zinc/89/56/24/523895624.db2.gz CEJLPSAMNMKHQO-UHFFFAOYSA-N 2 0 283.460 1.419 10 0 CDAERP CC[C@H](C)[N@H+](C)CCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000052444179 523923187 /nfs/dbraw/zinc/92/31/87/523923187.db2.gz NXXDXYPJYJCGRG-LBPRGKRZSA-N 2 0 267.421 1.897 10 0 CDAERP COCC[NH2+]Cc1cnc(N2CCC[C@H]2C[NH+](C)C)s1 ZINC000061655461 523957402 /nfs/dbraw/zinc/95/74/02/523957402.db2.gz BWTOCLDEKVSEGS-LBPRGKRZSA-N 2 0 298.456 1.410 10 0 CDAERP CC[C@H](C)[NH+]1CCN([C@@H](c2ccccn2)[C@@H](C)[NH3+])CC1 ZINC000055063864 523958271 /nfs/dbraw/zinc/95/82/71/523958271.db2.gz JZIBJICXQGCRDL-SQWLQELKSA-N 2 0 276.428 1.886 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@H]2CCC[C@H](CC[NH3+])C2)CC1 ZINC000055147419 524039054 /nfs/dbraw/zinc/03/90/54/524039054.db2.gz UPXWJEASYDNKGG-KGLIPLIRSA-N 2 0 281.444 1.694 10 0 CDAERP C[NH+](C)CC(C)(C)CNC(=O)[C@H]1CCC[C@@H](C[NH3+])C1 ZINC000055146278 524046241 /nfs/dbraw/zinc/04/62/41/524046241.db2.gz DZDBRUFDVMXLSR-OLZOCXBDSA-N 2 0 269.433 1.456 10 0 CDAERP C[NH+](C)CCCN1CCC[NH2+][C@H](c2ccccc2)C1 ZINC000062658845 524055671 /nfs/dbraw/zinc/05/56/71/524055671.db2.gz LPZKIXAVDQGWCW-INIZCTEOSA-N 2 0 261.413 1.975 10 0 CDAERP CNC(=O)CCC[N@@H+]1CCC[C@H](C[NH2+]C(C)C)C1 ZINC000068819952 524063464 /nfs/dbraw/zinc/06/34/64/524063464.db2.gz FQNFKOMFVBKRJR-CYBMUJFWSA-N 2 0 255.406 1.223 10 0 CDAERP CNC(=O)CCC[N@@H+]1CCC[C@H](C[NH2+]CC(C)C)C1 ZINC000068847555 524063727 /nfs/dbraw/zinc/06/37/27/524063727.db2.gz HZCPROLXPUGEDZ-CQSZACIVSA-N 2 0 269.433 1.470 10 0 CDAERP C[C@H](CCC[NH2+]C1CC1)[N@H+](C)C1CCN(C)CC1 ZINC000052419887 524142085 /nfs/dbraw/zinc/14/20/85/524142085.db2.gz XSYYVKUTLSREID-CYBMUJFWSA-N 2 0 253.434 1.933 10 0 CDAERP C[C@H]1CC[N@H+](CCn2cc(C[NH2+]C(C)(C)C)nn2)C1 ZINC000052484511 524289314 /nfs/dbraw/zinc/28/93/14/524289314.db2.gz XZZSBTSVKHZYEH-LBPRGKRZSA-N 2 0 265.405 1.508 10 0 CDAERP C[C@@H]1CCC[C@H](C(=O)NC[C@@H]2CCC[N@H+](C)C2)[C@@H]1[NH3+] ZINC000055138509 524345849 /nfs/dbraw/zinc/34/58/49/524345849.db2.gz SDHNXBRGPISBNN-ZOBORPQBSA-N 2 0 267.417 1.208 10 0 CDAERP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1CCn1c2ccccc2oc1=O ZINC000070182267 524405543 /nfs/dbraw/zinc/40/55/43/524405543.db2.gz RKMBLFCVCDWXEJ-QWHCGFSZSA-N 2 0 289.379 1.654 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[C@@H]([NH3+])C[C@@H]1C)[NH+]1CCCCC1 ZINC000055135399 524452128 /nfs/dbraw/zinc/45/21/28/524452128.db2.gz YWAXEMSYXMVMPG-YJNKXOJESA-N 2 0 281.444 1.741 10 0 CDAERP Cc1cc(CN2CC[NH+](CC3CC3)CC2)oc1C[NH3+] ZINC000052372470 524695681 /nfs/dbraw/zinc/69/56/81/524695681.db2.gz KVFOGIDJECGVJM-UHFFFAOYSA-N 2 0 263.385 1.574 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)C[NH+]1CCCCC1 ZINC000235151652 524707883 /nfs/dbraw/zinc/70/78/83/524707883.db2.gz LJYUKNLBJMYKPT-KKUMJFAQSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@@H]1C[N@H+](C[C@@H]2CC[C@H](C[NH2+]C3CC3)O2)CCCO1 ZINC000061935515 524968643 /nfs/dbraw/zinc/96/86/43/524968643.db2.gz SCBSAFXKCBFIBS-YUELXQCFSA-N 2 0 268.401 1.397 10 0 CDAERP C[C@H]1[C@H]([N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)CCC[C@@H]1C ZINC000068632531 525107711 /nfs/dbraw/zinc/10/77/11/525107711.db2.gz SJVOQGGCYWOGDV-LJISPDSOSA-N 2 0 281.444 1.598 10 0 CDAERP C[C@@H]1C[C@@H](C(=O)N2CCC(C[NH+](C)C)CC2)CC[C@@H]1[NH3+] ZINC000055134898 525183193 /nfs/dbraw/zinc/18/31/93/525183193.db2.gz KYOAKANWXWWWQW-SNPRPXQTSA-N 2 0 281.444 1.550 10 0 CDAERP C[C@@H]1C[C@@H]([NH3+])CC[C@@H]1C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC000055141117 525247219 /nfs/dbraw/zinc/24/72/19/525247219.db2.gz PYCIYQPIZACWLA-RDBSUJKOSA-N 2 0 281.444 1.693 10 0 CDAERP C[C@@H]1C[C@H]([NH3+])CC[C@@H]1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000055123287 525419411 /nfs/dbraw/zinc/41/94/11/525419411.db2.gz SDERAKWSXUZDGF-BZPMIXESSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@@H]1[C@@H]([NH3+])CCC[C@@H]1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000055132617 525664703 /nfs/dbraw/zinc/66/47/03/525664703.db2.gz MERIHJNVIHVIFJ-BPUTZDHNSA-N 2 0 293.455 1.837 10 0 CDAERP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2CC[NH+]1CCCCC1 ZINC000054602462 527144966 /nfs/dbraw/zinc/14/49/66/527144966.db2.gz QMSIOOPNTXNGAY-GOOCMWNKSA-N 2 0 251.418 1.817 10 0 CDAERP [NH3+]CC1(N2CC[C@@H]([NH+]3CCCCC3)C2)CCCC1 ZINC000062978648 527163967 /nfs/dbraw/zinc/16/39/67/527163967.db2.gz KKSTVAAUSIVTON-CQSZACIVSA-N 2 0 251.418 1.818 10 0 CDAERP [NH3+]C[C@]1(N2CC[NH+](C3CCCC3)CC2)CCCSC1 ZINC000061590310 527243884 /nfs/dbraw/zinc/24/38/84/527243884.db2.gz WFBPWSFWZBYPKH-OAHLLOKOSA-N 2 0 283.485 1.771 10 0 CDAERP [NH3+][C@H]1CCC[C@@H](CC(=O)NCCC[NH+]2CCCC2)C1 ZINC000062073404 527403517 /nfs/dbraw/zinc/40/35/17/527403517.db2.gz XNWIWLSNOLBYDC-KGLIPLIRSA-N 2 0 267.417 1.496 10 0 CDAERP CCn1nncc1C[NH2+][C@H](C)CCC[NH+](CC)CC ZINC000417973622 528115508 /nfs/dbraw/zinc/11/55/08/528115508.db2.gz VHFBTJSMPNJZBZ-CYBMUJFWSA-N 2 0 267.421 1.898 10 0 CDAERP CC[N@H+](CCNC(=O)N[C@H](C)[C@@H](C)[NH3+])CCC(F)(F)F ZINC000418082378 528497145 /nfs/dbraw/zinc/49/71/45/528497145.db2.gz XLVVWPHICFUAIO-NXEZZACHSA-N 2 0 298.353 1.296 10 0 CDAERP CCC(CC)[C@@H](CNC(=O)C[C@H](C[NH3+])OC)[NH+]1CCCC1 ZINC000262916840 535103011 /nfs/dbraw/zinc/10/30/11/535103011.db2.gz RJDHHSJTEYTRBH-HUUCEWRRSA-N 2 0 299.459 1.367 10 0 CDAERP CCc1ccc(C[NH+]2CCN(CCC[NH3+])CC2)s1 ZINC000414698741 536176241 /nfs/dbraw/zinc/17/62/41/536176241.db2.gz SLXZLZCDQXBLSF-UHFFFAOYSA-N 2 0 267.442 1.777 10 0 CDAERP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@]2(C1)CCCOC2 ZINC000342001096 536390296 /nfs/dbraw/zinc/39/02/96/536390296.db2.gz ZAGKTTFMHFQYPD-GJZGRUSLSA-N 2 0 252.402 1.973 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](CCN2CCOC2=O)CC1 ZINC000727769555 574598167 /nfs/dbraw/zinc/59/81/67/574598167.db2.gz DPYLHGORZUBYTG-UHFFFAOYSA-N 2 0 283.416 1.492 10 0 CDAERP CC(=O)NCCC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925518917 617429730 /nfs/dbraw/zinc/42/97/30/617429730.db2.gz PWUJCTYCCHXXEK-LSDHHAIUSA-N 2 0 267.417 1.271 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2NC[C@H]1CC[NH+]1C(C)(C)C ZINC000926673027 617432458 /nfs/dbraw/zinc/43/24/58/617432458.db2.gz OXKPXZFJOBNTJA-PEUVFPKISA-N 2 0 265.445 1.789 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]CCC(=O)N2CCCCCC2)C12CCC2 ZINC000925542042 617484692 /nfs/dbraw/zinc/48/46/92/617484692.db2.gz GIPKZVLXDNYJKF-ZIAGYGMSSA-N 2 0 279.428 1.639 10 0 CDAERP C(C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)CO[C@@H]1CCOC1 ZINC000925553259 617501969 /nfs/dbraw/zinc/50/19/69/617501969.db2.gz PYRVXRLWKDIJOM-IXDOHACOSA-N 2 0 296.455 1.940 10 0 CDAERP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000926202938 617514764 /nfs/dbraw/zinc/51/47/64/617514764.db2.gz OEOLDGLVAUOPKF-MWDXBVQZSA-N 2 0 277.456 1.957 10 0 CDAERP CC(C)(C)S(=O)(=O)CCN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925597588 617541852 /nfs/dbraw/zinc/54/18/52/617541852.db2.gz HQSNVKAWZODEDA-QWRGUYRKSA-N 2 0 274.430 1.059 10 0 CDAERP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925609314 617553495 /nfs/dbraw/zinc/55/34/95/617553495.db2.gz SHBYJSKXUSLLFV-HOTGVXAUSA-N 3 0 295.471 1.488 10 0 CDAERP [NH3+][C@H]1C[C@H]([NH2+]C[C@@H](O)Cc2ccccc2)C12CCC2 ZINC000925667847 617622337 /nfs/dbraw/zinc/62/23/37/617622337.db2.gz DWGOUTGRRYOSIB-KKUMJFAQSA-N 2 0 260.381 1.450 10 0 CDAERP C[NH+](C)C[C@@H]1CC[N@H+](CC[C@H]2COC(C)(C)O2)C1 ZINC000851771674 617645405 /nfs/dbraw/zinc/64/54/05/617645405.db2.gz MAFGQZAHHCNROL-STQMWFEESA-N 2 0 256.390 1.412 10 0 CDAERP CC1(C)[C@@H](NC[C@H]2CCCC[N@@H+]2CCO)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925679961 617652999 /nfs/dbraw/zinc/65/29/99/617652999.db2.gz LYOYZSYCVGEBDG-WCVJEAGWSA-N 2 0 295.471 1.199 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925786450 617709963 /nfs/dbraw/zinc/70/99/63/617709963.db2.gz ORTAMPZNUBYYKD-SYAUCNOPSA-N 2 0 265.445 1.600 10 0 CDAERP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc2c(c1)OCO2 ZINC000925808012 617748495 /nfs/dbraw/zinc/74/84/95/617748495.db2.gz JGRYJRDDKJGZCL-LBPRGKRZSA-N 2 0 291.395 1.489 10 0 CDAERP COC(=O)N1CCC([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000925847097 617882432 /nfs/dbraw/zinc/88/24/32/617882432.db2.gz SOAUICOLUXBMEW-UKRRQHHQSA-N 2 0 281.400 1.339 10 0 CDAERP C[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccncc1 ZINC000925849620 617886873 /nfs/dbraw/zinc/88/68/73/617886873.db2.gz DMMIUCUBZYUFRP-TZMCWYRMSA-N 2 0 289.379 1.418 10 0 CDAERP FC(F)(F)[C@]1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCN1 ZINC000925852940 617890462 /nfs/dbraw/zinc/89/04/62/617890462.db2.gz HYNLYEFEPRSPLT-YNEHKIRRSA-N 2 0 291.361 1.887 10 0 CDAERP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1 ZINC000925856575 617895063 /nfs/dbraw/zinc/89/50/63/617895063.db2.gz RGLLTKSLIQNFNA-RDBSUJKOSA-N 2 0 280.412 1.840 10 0 CDAERP CN(CC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)CC(F)F ZINC000925726154 617956377 /nfs/dbraw/zinc/95/63/77/617956377.db2.gz ZTAAIMVKXRTMSN-KGLIPLIRSA-N 2 0 289.414 1.941 10 0 CDAERP CC1(C)[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)[C@@H]2CCCO[C@H]21 ZINC000925881518 617966499 /nfs/dbraw/zinc/96/64/99/617966499.db2.gz CFWOJOISAMIRDA-MBJXGIAVSA-N 2 0 252.402 1.907 10 0 CDAERP CC1(C)[C@@H](NCC[NH+]2CCCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925507583 618193360 /nfs/dbraw/zinc/19/33/60/618193360.db2.gz APTPTFPMBBGUKL-RDBSUJKOSA-N 2 0 251.418 1.448 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC[N@@H+]1C ZINC000928431785 619030429 /nfs/dbraw/zinc/03/04/29/619030429.db2.gz AVRRJVULPREQTR-VHDGCEQUSA-N 2 0 279.428 1.602 10 0 CDAERP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000894765412 619051840 /nfs/dbraw/zinc/05/18/40/619051840.db2.gz HRGQVNFHQZXZKF-MJBXVCDLSA-N 2 0 268.401 1.648 10 0 CDAERP COC(=O)[C@@H]1[C@@H](C[NH2+]C2CCC([NH+](C)C)CC2)C1(F)F ZINC000895034275 619211910 /nfs/dbraw/zinc/21/19/10/619211910.db2.gz QOOIWFHAOVJEOQ-HCWSGVFWSA-N 2 0 290.354 1.503 10 0 CDAERP CC(C)[C@H]1COCC[C@@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000925118944 619378445 /nfs/dbraw/zinc/37/84/45/619378445.db2.gz VOTUVTDHPMXPCV-KGLIPLIRSA-N 2 0 270.417 1.094 10 0 CDAERP CC(C)(O)C[NH+]1CCC([NH2+]CCc2ccns2)CC1 ZINC000895529504 619711162 /nfs/dbraw/zinc/71/11/62/619711162.db2.gz NRPHVFDPYKWTHV-UHFFFAOYSA-N 2 0 283.441 1.511 10 0 CDAERP Cc1cn(C(C)(C)C(=O)NCC(C)(C)[NH+](C)C)cn1 ZINC000895588326 619741420 /nfs/dbraw/zinc/74/14/20/619741420.db2.gz GMWLHOSHAGNJHC-UHFFFAOYSA-N 2 0 266.389 1.383 10 0 CDAERP C[C@@H]1CC2(CC([NH2+]CCN3CCC([NH+](C)C)CC3)C2)CO1 ZINC000925217582 620565068 /nfs/dbraw/zinc/56/50/68/620565068.db2.gz ZZZOMEXZTUMLJU-HPUBIQBYSA-N 2 0 295.471 1.560 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC000925312099 620982887 /nfs/dbraw/zinc/98/28/87/620982887.db2.gz GJASVXGNIBRCPM-KBPBESRZSA-N 2 0 282.432 1.062 10 0 CDAERP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CC[NH+](C)[C@@H]1C ZINC000925321705 621533468 /nfs/dbraw/zinc/53/34/68/621533468.db2.gz APIVMLOLVRSUCI-MCIONIFRSA-N 2 0 282.432 1.061 10 0 CDAERP C[C@H](NC(=[NH2+])NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)C1CC1 ZINC000899263829 622135705 /nfs/dbraw/zinc/13/57/05/622135705.db2.gz QFOAOMWNCLDAPA-UPJWGTAASA-N 2 0 282.432 1.398 10 0 CDAERP c1c(CC[NH+]2CCCCC2)nnn1C[C@@H]1CCCC[NH2+]C1 ZINC000899740198 622399498 /nfs/dbraw/zinc/39/94/98/622399498.db2.gz FDJWVNQUEXJXQS-OAHLLOKOSA-N 2 0 291.443 1.696 10 0 CDAERP c1c(C[C@H]2CCC[NH2+]C2)nnn1C[C@H]1CCCC[NH2+]C1 ZINC000899742523 622403243 /nfs/dbraw/zinc/40/32/43/622403243.db2.gz ZTCDOXWPOKKKLO-KGLIPLIRSA-N 2 0 277.416 1.210 10 0 CDAERP CN(CCCC[NH+](C)C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900768823 623456640 /nfs/dbraw/zinc/45/66/40/623456640.db2.gz IVYRYICJCQADNB-CABCVRRESA-N 2 0 281.444 1.804 10 0 CDAERP C[C@@H]1[C@H](NC2CC[NH+](CC3CC3)CC2)CC[N@@H+]1C ZINC000903302216 625961300 /nfs/dbraw/zinc/96/13/00/625961300.db2.gz ZZTRGCRAYCRDRF-IUODEOHRSA-N 2 0 251.418 1.543 10 0 CDAERP C[C@@H]1C[N@H+](C)C[C@H]1N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000903383318 625981534 /nfs/dbraw/zinc/98/15/34/625981534.db2.gz LQOKSOZYEHAQCC-FVQBIDKESA-N 2 0 276.428 1.614 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC(NC(=O)C3CC3)CC2)C1 ZINC000903430023 625989547 /nfs/dbraw/zinc/98/95/47/625989547.db2.gz NVFQJPZKSZXHDL-WCQYABFASA-N 2 0 265.401 1.104 10 0 CDAERP NC(=O)c1cccc2c1CC[N@H+](C[C@H]1CC[C@@H]([NH3+])C1)C2 ZINC000903464425 625993885 /nfs/dbraw/zinc/99/38/85/625993885.db2.gz MXCJPSQKZLJCOR-WCQYABFASA-N 2 0 273.380 1.271 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000903460030 625995252 /nfs/dbraw/zinc/99/52/52/625995252.db2.gz UVSLBUFEFYCMCU-SLBVQIDZSA-N 3 0 281.444 1.060 10 0 CDAERP C[C@@H]1CN(C[C@H]2CCC[N@@H+]2C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H](C)O1 ZINC000903441999 625996622 /nfs/dbraw/zinc/99/66/22/625996622.db2.gz DZHLZCASWDLPTP-OVYGPGRDSA-N 2 0 295.471 1.687 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000903444587 625998776 /nfs/dbraw/zinc/99/87/76/625998776.db2.gz DELOXZQAWQIVFJ-BMFZPTHFSA-N 2 0 265.445 1.506 10 0 CDAERP C(CN[C@@H]1CC[NH2+]C12CCC2)C[NH+]1CCCCC1 ZINC000903473040 626004257 /nfs/dbraw/zinc/00/42/57/626004257.db2.gz ZBPRZSTVRVSHMR-CQSZACIVSA-N 2 0 251.418 1.737 10 0 CDAERP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H]1C(F)(F)F ZINC000903477901 626005658 /nfs/dbraw/zinc/00/56/58/626005658.db2.gz BGRBSECYESNLDG-ZNSHCXBVSA-N 3 0 265.323 1.183 10 0 CDAERP C[NH2+]C[C@](C)(O)CN1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000903490804 626010704 /nfs/dbraw/zinc/01/07/04/626010704.db2.gz IVXOAGKBFWDMHV-UWVGGRQHSA-N 2 0 284.297 1.323 10 0 CDAERP C[C@@H]1C[N@@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C[C@H]1CC[NH3+] ZINC000903497470 626012052 /nfs/dbraw/zinc/01/20/52/626012052.db2.gz YNHJWRHFVGMIAT-MXWKQRLJSA-N 2 0 293.333 1.066 10 0 CDAERP C[C@]1([C@@H]2CCC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)COC(=O)N1 ZINC000903562000 626019747 /nfs/dbraw/zinc/01/97/47/626019747.db2.gz UNPXCFVSLWLQKI-UMVBOHGHSA-N 2 0 281.400 1.197 10 0 CDAERP CCOCC[N@H+](CC)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903888406 626123811 /nfs/dbraw/zinc/12/38/11/626123811.db2.gz BCZBTNRUUCDYOK-CQSZACIVSA-N 2 0 282.432 1.204 10 0 CDAERP CCO[C@H]1CCC[N@H+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903873900 626127668 /nfs/dbraw/zinc/12/76/68/626127668.db2.gz NTVTZPTVBBILJH-ZBFHGGJFSA-N 2 0 294.443 1.347 10 0 CDAERP [NH3+]CCOc1ccc(NCC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000903918792 626146642 /nfs/dbraw/zinc/14/66/42/626146642.db2.gz HZFUYVMQPHOHBG-LQDVMPOASA-N 2 0 275.396 1.967 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[NH2+]C(C)(C)COC(C)C)cnn1C ZINC000903930545 626150668 /nfs/dbraw/zinc/15/06/68/626150668.db2.gz ZRKNOGZOFDWZPJ-CQSZACIVSA-N 2 0 296.459 1.639 10 0 CDAERP C[C@@H]1CN(C[C@@H]([NH3+])CC(F)F)CCN1c1cc[nH+]cc1 ZINC000903937769 626155555 /nfs/dbraw/zinc/15/55/55/626155555.db2.gz QZJGFDOGNBHZEL-NEPJUHHUSA-N 2 0 284.354 1.575 10 0 CDAERP C[NH+](C)C1(C)CCC([NH2+]C[C@H](N)CC(F)F)CC1 ZINC000903937812 626155725 /nfs/dbraw/zinc/15/57/25/626155725.db2.gz RZLLLIJOSZJZJL-XSRFYTQQSA-N 2 0 263.376 1.821 10 0 CDAERP CC(=O)C1CC[NH+](C[C@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903938079 626155755 /nfs/dbraw/zinc/15/57/55/626155755.db2.gz YZWWTOSSDQYYSV-AWEZNQCLSA-N 2 0 292.427 1.147 10 0 CDAERP COc1cccc(C[C@@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000903974766 626169043 /nfs/dbraw/zinc/16/90/43/626169043.db2.gz RRPLFYQYYGRHRH-MGPQQGTHSA-N 2 0 277.412 1.856 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)[C@@H](C)C1 ZINC000903974511 626169172 /nfs/dbraw/zinc/16/91/72/626169172.db2.gz QAGIAPGPSHEMRL-LXTVHRRPSA-N 3 0 253.434 1.552 10 0 CDAERP CC(C)C[C@H]([NH3+])CN[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903969276 626172696 /nfs/dbraw/zinc/17/26/96/626172696.db2.gz FAPJIMOYEKPVIH-UONOGXRCSA-N 2 0 269.433 1.108 10 0 CDAERP CC(C)(/C=C/Cl)[NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000903987970 626174685 /nfs/dbraw/zinc/17/46/85/626174685.db2.gz LLTCRYQVCSNIRQ-MVIFTORASA-N 2 0 273.808 1.304 10 0 CDAERP c1cc2c(cc1CN1CC[NH2+]CC[NH2+]CC1)CCCO2 ZINC000904396804 626273364 /nfs/dbraw/zinc/27/33/64/626273364.db2.gz WATWBSXUNXTWNH-UHFFFAOYSA-N 2 0 275.396 1.006 10 0 CDAERP c1cc2cc(CN3CC[NH2+]CC[NH2+]CC3)ccc2cn1 ZINC000904397024 626273959 /nfs/dbraw/zinc/27/39/59/626273959.db2.gz WDFWZDCBIDNMQT-UHFFFAOYSA-N 2 0 270.380 1.230 10 0 CDAERP c1csc(C[C@H]2CCN(CC34CC(C3)C[NH2+]4)C2)n1 ZINC000904468399 626302973 /nfs/dbraw/zinc/30/29/73/626302973.db2.gz BPROEBAUYCSBKK-LKSINWNRSA-N 2 0 263.410 1.760 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000907874384 627891401 /nfs/dbraw/zinc/89/14/01/627891401.db2.gz GQHNCVLPOCSCLN-KFWWJZLASA-N 2 0 281.444 1.850 10 0 CDAERP CC[N@@H+]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC000910264196 628935876 /nfs/dbraw/zinc/93/58/76/628935876.db2.gz BYEJYDRTJYOYNX-KGLIPLIRSA-N 2 0 267.417 1.271 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N(CC)[C@@H]2CC[NH+](C)C2)C1 ZINC000912307984 629917999 /nfs/dbraw/zinc/91/79/99/629917999.db2.gz VANNUSUETZKXFE-LSDHHAIUSA-N 2 0 281.444 1.661 10 0 CDAERP C(C1CC1)[NH+]1CCC([NH2+][C@@H]2COC[C@H]2C2CC2)CC1 ZINC000914435990 631471009 /nfs/dbraw/zinc/47/10/09/631471009.db2.gz NHNSKBOHOFXQBX-JKSUJKDBSA-N 2 0 264.413 1.875 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N[C@H]1CC[NH+](C)[C@H]1C ZINC000921181494 632892365 /nfs/dbraw/zinc/89/23/65/632892365.db2.gz QNUVUSCAYBAAQY-STQMWFEESA-N 2 0 270.421 1.110 10 0 CDAERP CC(C)[NH2+]CCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001266741526 1158797599 /nfs/dbraw/zinc/79/75/99/1158797599.db2.gz XSYJZNXFSQETNE-UONOGXRCSA-N 2 0 267.417 1.460 10 0 CDAERP CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001691382015 1159045049 /nfs/dbraw/zinc/04/50/49/1159045049.db2.gz DNFKYOBTXSYGBX-KFWWJZLASA-N 2 0 281.444 1.565 10 0 CDAERP CCCC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001670691675 1158693656 /nfs/dbraw/zinc/69/36/56/1158693656.db2.gz LIYALQSNHNIIEB-UONOGXRCSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CCCF ZINC001267141448 1159135202 /nfs/dbraw/zinc/13/52/02/1159135202.db2.gz BWHYRXZFVVQKGP-IHRRRGAJSA-N 2 0 287.423 1.561 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001270128358 1160091818 /nfs/dbraw/zinc/09/18/18/1160091818.db2.gz HJJGPYVHAIJEFR-DZGCQCFKSA-N 2 0 299.434 1.657 10 0 CDAERP CC[NH2+]CC[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001482903019 1160643037 /nfs/dbraw/zinc/64/30/37/1160643037.db2.gz WCIIHIYNYDDXIF-ZDUSSCGKSA-N 2 0 255.406 1.367 10 0 CDAERP C[C@@H](CN1CCOCC1)[N@H+](C)CCCCCC[NH3+] ZINC000872155385 1165387041 /nfs/dbraw/zinc/38/70/41/1165387041.db2.gz MGKQPRLWFNYSLR-AWEZNQCLSA-N 2 0 257.422 1.158 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N(C)CCC[NH+]1CCCC1 ZINC001635153123 1166562650 /nfs/dbraw/zinc/56/26/50/1166562650.db2.gz LKYDUGYUEZSHIF-CQSZACIVSA-N 2 0 269.433 1.519 10 0 CDAERP CC[C@H](C(=O)NCC[C@H](C)[NH2+]CC=C(C)C)[NH+](C)C ZINC001274737163 1166646176 /nfs/dbraw/zinc/64/61/76/1166646176.db2.gz XHXMBSYNGSOXBB-UONOGXRCSA-N 2 0 269.433 1.777 10 0 CDAERP CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001565890122 1168194919 /nfs/dbraw/zinc/19/49/19/1168194919.db2.gz CLGOOHUVGCWDHH-ZNMIVQPWSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)C[NH2+][C@H]1C[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001566860346 1168447968 /nfs/dbraw/zinc/44/79/68/1168447968.db2.gz WLWFHGHKXRLLGM-OKILXGFUSA-N 2 0 269.433 1.611 10 0 CDAERP CCC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001567128813 1168588896 /nfs/dbraw/zinc/58/88/96/1168588896.db2.gz VQPJNXRMISPVKY-ZDUSSCGKSA-N 2 0 267.417 1.319 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001567255050 1168641537 /nfs/dbraw/zinc/64/15/37/1168641537.db2.gz UAXZRKZHAKXVDC-HNNXBMFYSA-N 2 0 293.455 1.996 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]CCCF ZINC001568148812 1169148828 /nfs/dbraw/zinc/14/88/28/1169148828.db2.gz BOYLAUCOTHUPAP-CYBMUJFWSA-N 2 0 273.396 1.268 10 0 CDAERP COCCCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H](C)C1 ZINC001671242907 1169242144 /nfs/dbraw/zinc/24/21/44/1169242144.db2.gz AAAUGXUSPYHHSL-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP CCC[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001570736122 1170263343 /nfs/dbraw/zinc/26/33/43/1170263343.db2.gz RDQBQFZKBAOBLK-OLZOCXBDSA-N 2 0 255.406 1.175 10 0 CDAERP CC(C)CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001571485729 1170450853 /nfs/dbraw/zinc/45/08/53/1170450853.db2.gz VIKKDNHHHZTUPV-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)C1CC1 ZINC001660696487 1172259531 /nfs/dbraw/zinc/25/95/31/1172259531.db2.gz RSNFEFQZJIDJDF-OAHLLOKOSA-N 2 0 281.444 1.850 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH2+]CCCCCF)C2)C1 ZINC001662541729 1172559689 /nfs/dbraw/zinc/55/96/89/1172559689.db2.gz RVJXTEOFAPLMGI-CABCVRRESA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001662974400 1172622552 /nfs/dbraw/zinc/62/25/52/1172622552.db2.gz GXHYGXDVAMNNHK-KGLIPLIRSA-N 2 0 269.433 1.469 10 0 CDAERP CC(C)[C@H](C(=O)N(C)CC[NH2+]Cc1cccnc1)[NH+](C)C ZINC001664321959 1172839987 /nfs/dbraw/zinc/83/99/87/1172839987.db2.gz YOVYILFYOXECFX-OAHLLOKOSA-N 2 0 292.427 1.216 10 0 CDAERP CCC[NH2+]CC[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001668121922 1173370395 /nfs/dbraw/zinc/37/03/95/1173370395.db2.gz DLSXXOQOIJZIBO-ZDUSSCGKSA-N 2 0 267.417 1.509 10 0 CDAERP CCC(CC)C[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C ZINC001668381921 1173406806 /nfs/dbraw/zinc/40/68/06/1173406806.db2.gz OABIVBKHPQBZEA-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[C@@H]2[NH3+])C1 ZINC000091393449 1174275080 /nfs/dbraw/zinc/27/50/80/1174275080.db2.gz QMBWAMDGEFSSQX-AGIUHOORSA-N 2 0 253.390 1.057 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001689875959 1175291927 /nfs/dbraw/zinc/29/19/27/1175291927.db2.gz JWAQDQYFBWLCCT-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP COCCC[NH2+][C@H]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001690788709 1175573104 /nfs/dbraw/zinc/57/31/04/1175573104.db2.gz UYFQBDWICZCZJI-GJZGRUSLSA-N 2 0 299.459 1.380 10 0 CDAERP CC(C)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001690879223 1175598202 /nfs/dbraw/zinc/59/82/02/1175598202.db2.gz BNDMWYNVEGPPID-CHWSQXEVSA-N 2 0 255.406 1.079 10 0 CDAERP COCC[NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001699256745 1176182069 /nfs/dbraw/zinc/18/20/69/1176182069.db2.gz GTOKIZNVMPITPF-AATRIKPKSA-N 2 0 297.443 1.159 10 0 CDAERP CCCC[NH2+]C/C=C\CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001699336879 1176257262 /nfs/dbraw/zinc/25/72/62/1176257262.db2.gz VJALPSAVGPSPEH-GEXIGZQTSA-N 2 0 267.417 1.390 10 0 CDAERP O=C(C[NH+]1CCCC1)NC/C=C\C[NH2+]Cc1ccccc1 ZINC001699363526 1176319559 /nfs/dbraw/zinc/31/95/59/1176319559.db2.gz PFRJPYWADRHJKJ-PLNGDYQASA-N 2 0 287.407 1.544 10 0 CDAERP CCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001699368212 1176323727 /nfs/dbraw/zinc/32/37/27/1176323727.db2.gz BPOBKGKRHHYUMW-KGLIPLIRSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001699416105 1176379071 /nfs/dbraw/zinc/37/90/71/1176379071.db2.gz IYZCQXBAEPQQTE-STQMWFEESA-N 2 0 287.423 1.703 10 0 CDAERP C[C@@H](C[NH2+]C/C=C\Cl)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001699421914 1176385620 /nfs/dbraw/zinc/38/56/20/1176385620.db2.gz CWKWKMMZKPROBZ-OPUZMVJGSA-N 2 0 273.808 1.175 10 0 CDAERP CCCC[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001699593466 1176491156 /nfs/dbraw/zinc/49/11/56/1176491156.db2.gz QQVDWMJIZBOMFW-CQSZACIVSA-N 2 0 279.428 1.367 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCCCCF ZINC001699629439 1176528159 /nfs/dbraw/zinc/52/81/59/1176528159.db2.gz UGQASMDANCAUNI-LSDHHAIUSA-N 2 0 299.434 1.801 10 0 CDAERP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C[NH2+]CCCF ZINC001699960571 1176698248 /nfs/dbraw/zinc/69/82/48/1176698248.db2.gz GZTMZVUCYGWIDV-KGLIPLIRSA-N 2 0 299.434 1.514 10 0 CDAERP CC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001699970216 1176701795 /nfs/dbraw/zinc/70/17/95/1176701795.db2.gz AUKHBLXJNJNSTK-STQMWFEESA-N 2 0 255.406 1.032 10 0 CDAERP CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001700062176 1176737010 /nfs/dbraw/zinc/73/70/10/1176737010.db2.gz JUJPBLKDYKCABB-GJZGRUSLSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001700086584 1176742661 /nfs/dbraw/zinc/74/26/61/1176742661.db2.gz BMVHWGCZNVWZDY-ZIAGYGMSSA-N 2 0 267.417 1.175 10 0 CDAERP CC[C@H](C(=O)N1CCO[C@@H](C[NH2+]CC=C(C)C)C1)[NH+](C)C ZINC001700155340 1176775259 /nfs/dbraw/zinc/77/52/59/1176775259.db2.gz RANLEROAQYWFIJ-LSDHHAIUSA-N 2 0 297.443 1.110 10 0 CDAERP CC[NH2+]CC1CC(NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001700381470 1176886124 /nfs/dbraw/zinc/88/61/24/1176886124.db2.gz CCLWVEMPQKTHOA-WXRRBKDZSA-N 2 0 255.406 1.077 10 0 CDAERP CCC[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001700862441 1177169651 /nfs/dbraw/zinc/16/96/51/1177169651.db2.gz GIGMKIYLVOGUQZ-UKRRQHHQSA-N 2 0 267.417 1.461 10 0 CDAERP COCCC[NH+]1CCC([C@@H](C)NC(=O)CC[NH+](C)C)CC1 ZINC001701006568 1177235695 /nfs/dbraw/zinc/23/56/95/1177235695.db2.gz KLLCINOXSHSTBA-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)CC)CC[N@@H+]1CC ZINC001707204820 1177966924 /nfs/dbraw/zinc/96/69/24/1177966924.db2.gz JNUCOZZGZANKRD-QWHCGFSZSA-N 2 0 255.406 1.317 10 0 CDAERP CC[C@H](F)C[N@H+](C)CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001707374177 1178001395 /nfs/dbraw/zinc/00/13/95/1178001395.db2.gz FJLYMYYUPGSYMD-LSDHHAIUSA-N 2 0 299.434 1.514 10 0 CDAERP CCC[N@H+](CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001713037452 1178323838 /nfs/dbraw/zinc/32/38/38/1178323838.db2.gz VSHWEWTYDNCYLA-INIZCTEOSA-N 2 0 293.455 1.709 10 0 CDAERP CCCC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001713126044 1178383394 /nfs/dbraw/zinc/38/33/94/1178383394.db2.gz ZGUOOTCKERRTSD-KGLIPLIRSA-N 2 0 267.417 1.223 10 0 CDAERP CCC[N@H+](C)CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001713469964 1178586587 /nfs/dbraw/zinc/58/65/87/1178586587.db2.gz GOLJLWXRKLTKLO-UONOGXRCSA-N 2 0 267.417 1.461 10 0 CDAERP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]CCC[NH+](C)C ZINC000237305795 1178640084 /nfs/dbraw/zinc/64/00/84/1178640084.db2.gz SJVQXFYISCSQON-ZDUSSCGKSA-N 2 0 263.385 1.945 10 0 CDAERP CCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cnc[nH]1 ZINC001713912250 1178838544 /nfs/dbraw/zinc/83/85/44/1178838544.db2.gz UIKBPSRNXCHAJY-GASCZTMLSA-N 2 0 290.411 1.818 10 0 CDAERP CC[NH2+]C[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001714091105 1178968181 /nfs/dbraw/zinc/96/81/81/1178968181.db2.gz CONQMRKDTHYYLR-AWEZNQCLSA-N 2 0 269.433 1.566 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001714390576 1179120063 /nfs/dbraw/zinc/12/00/63/1179120063.db2.gz GUMFTYXRFHQOLO-RRFJBIMHSA-N 2 0 281.444 1.635 10 0 CDAERP C[C@@H](CCNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CCCF ZINC001714485732 1179165619 /nfs/dbraw/zinc/16/56/19/1179165619.db2.gz YSIIBZDYSGIISQ-ZDUSSCGKSA-N 2 0 287.423 1.705 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001714730203 1179364185 /nfs/dbraw/zinc/36/41/85/1179364185.db2.gz MEBRVKVMYBIFDT-AWEZNQCLSA-N 2 0 283.460 1.811 10 0 CDAERP CC[C@H](C)C[NH2+]CCN(C)C(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001714767245 1179386416 /nfs/dbraw/zinc/38/64/16/1179386416.db2.gz KPOHVVZEFBUOHB-STQMWFEESA-N 2 0 280.416 1.682 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001715030624 1179519452 /nfs/dbraw/zinc/51/94/52/1179519452.db2.gz HFIPPYUKZXWSCG-ZDUSSCGKSA-N 2 0 255.406 1.271 10 0 CDAERP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]C/C=C/Cl ZINC001715075114 1179539286 /nfs/dbraw/zinc/53/92/86/1179539286.db2.gz WFGTYTVWZNFIOG-ZRQQLDRUSA-N 2 0 261.797 1.175 10 0 CDAERP C[C@](C[NH2+]CCF)(NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001715110715 1179555379 /nfs/dbraw/zinc/55/53/79/1179555379.db2.gz MZPDOAKLRNZNEB-GDBMZVCRSA-N 2 0 297.418 1.172 10 0 CDAERP C[C@H](CC[NH2+]C/C=C/Cl)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001715649326 1179752168 /nfs/dbraw/zinc/75/21/68/1179752168.db2.gz SLZTZEVAURHWJR-KXFQEILRSA-N 2 0 287.835 1.564 10 0 CDAERP CCN(CC[NH2+]CCC(C)C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001715736046 1179785336 /nfs/dbraw/zinc/78/53/36/1179785336.db2.gz ZOOGPCWYQUZWKB-INIZCTEOSA-N 2 0 295.471 1.812 10 0 CDAERP CC(C)(C(=O)NC/C=C\C[NH2+]CC1CCC1)[NH+]1CCCC1 ZINC001715851010 1179868753 /nfs/dbraw/zinc/86/87/53/1179868753.db2.gz GLJOCRLOLLYNAU-ARJAWSKDSA-N 2 0 293.455 1.923 10 0 CDAERP CC1CC(C[NH2+]C/C=C\CNC(=O)C[NH+]2CCCC2)C1 ZINC001715908072 1179907225 /nfs/dbraw/zinc/90/72/25/1179907225.db2.gz LIOUIZBBFYIWTB-IHWYPQMZSA-N 2 0 279.428 1.390 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001715990988 1179969190 /nfs/dbraw/zinc/96/91/90/1179969190.db2.gz NLKAHCNBIJJYPG-AGIUHOORSA-N 2 0 273.396 1.313 10 0 CDAERP CCC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001716248704 1180118848 /nfs/dbraw/zinc/11/88/48/1180118848.db2.gz IQZJHKKAIMPODR-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP CC/C=C\CC[NH2+]C[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001716460469 1180223437 /nfs/dbraw/zinc/22/34/37/1180223437.db2.gz IAGHHEQXOBGTLS-RWCKICOTSA-N 2 0 281.444 1.779 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C[NH2+]CCCF)C2CC2)CC[N@@H+]1C ZINC001716611034 1180304810 /nfs/dbraw/zinc/30/48/10/1180304810.db2.gz BGROYMKUUSHPMF-SOUVJXGZSA-N 2 0 299.434 1.561 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CCO1 ZINC001717186211 1180564393 /nfs/dbraw/zinc/56/43/93/1180564393.db2.gz KYIRNLPAIZILOS-HNNXBMFYSA-N 2 0 299.459 1.190 10 0 CDAERP CCCC[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001717286525 1180604928 /nfs/dbraw/zinc/60/49/28/1180604928.db2.gz WCTHZNGLDJJUOC-HIFRSBDPSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001717413392 1180659712 /nfs/dbraw/zinc/65/97/12/1180659712.db2.gz RYYDZTBOHHFJDW-KGLIPLIRSA-N 2 0 281.444 1.920 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001717424541 1180664929 /nfs/dbraw/zinc/66/49/29/1180664929.db2.gz HKEAKOUOLWAJON-UONOGXRCSA-N 2 0 281.444 1.777 10 0 CDAERP CC(C)[NH2+][C@@H](C)[C@H](C)NC(=O)CCCC[NH+](C)C ZINC001717434502 1180669774 /nfs/dbraw/zinc/66/97/74/1180669774.db2.gz GZIUPZQBNHKNIG-STQMWFEESA-N 2 0 257.422 1.610 10 0 CDAERP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH+](C)CC1CC1 ZINC001717494001 1180708883 /nfs/dbraw/zinc/70/88/83/1180708883.db2.gz DPYMXKFNRGSMPA-GXTWGEPZSA-N 2 0 267.417 1.175 10 0 CDAERP O=C(NCC1([NH2+]CCCF)CC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001723530835 1181583545 /nfs/dbraw/zinc/58/35/45/1181583545.db2.gz RZBWEMNQKYITOP-KGLIPLIRSA-N 2 0 297.418 1.601 10 0 CDAERP CC(C)[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001725127889 1181875206 /nfs/dbraw/zinc/87/52/06/1181875206.db2.gz GNLUSANHTWVMLJ-CHWSQXEVSA-N 2 0 269.433 1.752 10 0 CDAERP CCCCC[NH+]1CC([C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001725264736 1181945400 /nfs/dbraw/zinc/94/54/00/1181945400.db2.gz LQQHPIRFENNUNM-HUUCEWRRSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)CCC[NH2+][C@@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001725522404 1182034688 /nfs/dbraw/zinc/03/46/88/1182034688.db2.gz SOMZLGLZJVTISP-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001725663509 1182091219 /nfs/dbraw/zinc/09/12/19/1182091219.db2.gz SZPVHCUDMJOQBZ-HZPDHXFCSA-N 2 0 293.455 1.923 10 0 CDAERP CC(C)[N@H+]1CC=C(CNC(=O)[C@@H](C)Cc2c[nH]cn2)CC1 ZINC001725825964 1182144308 /nfs/dbraw/zinc/14/43/08/1182144308.db2.gz PDBVLTHWYZIVRT-ZDUSSCGKSA-N 2 0 290.411 1.745 10 0 CDAERP C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)CC[C@@H]1CCCO1 ZINC001731232866 1182264124 /nfs/dbraw/zinc/26/41/24/1182264124.db2.gz ZDENZRMKOCNCPU-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001731658478 1182507047 /nfs/dbraw/zinc/50/70/47/1182507047.db2.gz BYCZHSXARNGALF-QLFBSQMISA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001731718612 1182529339 /nfs/dbraw/zinc/52/93/39/1182529339.db2.gz DNEBYMOGCYVYOO-CVEARBPZSA-N 2 0 293.455 1.827 10 0 CDAERP CC[NH2+]CCC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001732298192 1182899388 /nfs/dbraw/zinc/89/93/88/1182899388.db2.gz FIHJYBYFIPYPNY-UHFFFAOYSA-N 2 0 269.433 1.566 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@H]2CC[C@H]([NH2+]CCCF)CC2)CC1 ZINC001732308894 1182901669 /nfs/dbraw/zinc/90/16/69/1182901669.db2.gz KKHSVDUHPSERSM-HDJSIYSDSA-N 2 0 299.434 1.705 10 0 CDAERP C[C@H](C[NH2+]CCC1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001732420969 1182956371 /nfs/dbraw/zinc/95/63/71/1182956371.db2.gz MIDBJSDRJABTTR-UMVBOHGHSA-N 2 0 281.444 1.563 10 0 CDAERP CCC[NH2+]C[C@H](C)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001732455258 1182975107 /nfs/dbraw/zinc/97/51/07/1182975107.db2.gz NZXTYHDBXVNEGM-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2CC[NH2+]CCF)C1 ZINC001732514229 1182993612 /nfs/dbraw/zinc/99/36/12/1182993612.db2.gz JWSCZOPVTMFYIJ-HUUCEWRRSA-N 2 0 299.434 1.659 10 0 CDAERP CCOCC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC001732560714 1183009278 /nfs/dbraw/zinc/00/92/78/1183009278.db2.gz KEPQARGLMPLWCF-CABCVRRESA-N 2 0 299.459 1.238 10 0 CDAERP Cc1conc1C[NH2+]CC[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001732755275 1183109775 /nfs/dbraw/zinc/10/97/75/1183109775.db2.gz SJWILHHRHAMQGQ-ZDUSSCGKSA-N 2 0 296.415 1.308 10 0 CDAERP Cc1conc1C[NH2+]CC[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001732755274 1183109867 /nfs/dbraw/zinc/10/98/67/1183109867.db2.gz SJWILHHRHAMQGQ-CYBMUJFWSA-N 2 0 296.415 1.308 10 0 CDAERP CCN(CC[NH2+]CC=C(C)C)C(=O)C1(C[NH+](C)C)CC1 ZINC001732794901 1183128515 /nfs/dbraw/zinc/12/85/15/1183128515.db2.gz UXYVVVKNOFYEBM-UHFFFAOYSA-N 2 0 281.444 1.733 10 0 CDAERP Cc1nccn1CC(=O)N[C@H](C)C[NH2+]CCC(F)(F)F ZINC001732982339 1183217789 /nfs/dbraw/zinc/21/77/89/1183217789.db2.gz JMAKOHHORUVAJZ-SECBINFHSA-N 2 0 292.305 1.238 10 0 CDAERP C[C@@H](C[NH2+]CCCC(C)(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001733023488 1183242296 /nfs/dbraw/zinc/24/22/96/1183242296.db2.gz VYKOOMLHYKWELC-KBPBESRZSA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)[NH2+]CCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001733107894 1183294433 /nfs/dbraw/zinc/29/44/33/1183294433.db2.gz XDYWANRHKQCOLH-CABCVRRESA-N 2 0 281.444 1.850 10 0 CDAERP CC(C)C[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001733191159 1183325326 /nfs/dbraw/zinc/32/53/26/1183325326.db2.gz ULUQPIFCOOMKAY-UONOGXRCSA-N 2 0 267.417 1.079 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](C[NH2+]CCCF)C1 ZINC001733556082 1183465798 /nfs/dbraw/zinc/46/57/98/1183465798.db2.gz GBHYPHCOCKGHOC-UONOGXRCSA-N 2 0 287.423 1.372 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@@H](CC[NH2+]CC(C)C)C1 ZINC001733675290 1183494515 /nfs/dbraw/zinc/49/45/15/1183494515.db2.gz ZEGJKORAIJFHDF-OAHLLOKOSA-N 2 0 283.460 1.812 10 0 CDAERP C[C@@H]1[C@H](C(=O)NC2CC(C[NH2+]C/C=C\Cl)C2)CC[N@@H+]1C ZINC001733949523 1183581223 /nfs/dbraw/zinc/58/12/23/1183581223.db2.gz WVCRVODMXBUGMZ-FUZHTEHISA-N 2 0 299.846 1.564 10 0 CDAERP COCCC[N@H+](C)[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001734060490 1183642818 /nfs/dbraw/zinc/64/28/18/1183642818.db2.gz UXTUBSTVMDDSGB-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP CCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001734156681 1183677899 /nfs/dbraw/zinc/67/78/99/1183677899.db2.gz YEQSCRBAZKEHJX-LSDHHAIUSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001734345028 1183741267 /nfs/dbraw/zinc/74/12/67/1183741267.db2.gz RVASIWUNHOBAEE-KBPBESRZSA-N 2 0 269.433 1.421 10 0 CDAERP OCCCOCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423104998 1186723233 /nfs/dbraw/zinc/72/32/33/1186723233.db2.gz HZRSFCVHOUIFDU-RRFJBIMHSA-N 2 0 270.417 1.286 10 0 CDAERP CC(C)[NH+](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC000344161831 1164339858 /nfs/dbraw/zinc/33/98/58/1164339858.db2.gz SGDLOIAZOCNNSW-GJZGRUSLSA-N 2 0 283.460 1.952 10 0 CDAERP CC1(C)CCC[N@@H+]1CCN[C@@H]1CC[NH2+]C12CCC2 ZINC000925684153 739239300 /nfs/dbraw/zinc/23/93/00/739239300.db2.gz DIVUDILUHWKNAS-CYBMUJFWSA-N 2 0 251.418 1.735 10 0 CDAERP [NH3+][C@@H]1CN(C(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)C[C@H]1c1ccccc1 ZINC000846679836 739265000 /nfs/dbraw/zinc/26/50/00/739265000.db2.gz GPZMADGFBYFCCU-YLFCFFPRSA-N 2 0 299.418 1.470 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000136411037 739284584 /nfs/dbraw/zinc/28/45/84/739284584.db2.gz DFUYQXJGCUHNRH-QWHCGFSZSA-N 2 0 255.406 1.350 10 0 CDAERP COC(=O)N1CCC(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000925673544 739608883 /nfs/dbraw/zinc/60/88/83/739608883.db2.gz YXHVOEUAPGQGKN-OLZOCXBDSA-N 2 0 281.400 1.324 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H](Nc2ccc3c(c2)C[NH2+]CCO3)C1 ZINC000843126397 739647536 /nfs/dbraw/zinc/64/75/36/739647536.db2.gz PZGQGEOLSMDVHC-SMDDNHRTSA-N 2 0 261.369 1.579 10 0 CDAERP C[C@H]1[C@@H](NC(=O)N2CC[NH+](C)C(C)(C)CC2)CC[N@@H+]1C ZINC000925345291 739666298 /nfs/dbraw/zinc/66/62/98/739666298.db2.gz PVUSQJVAGLXDDX-STQMWFEESA-N 2 0 282.432 1.205 10 0 CDAERP COCCOCC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925564467 739747202 /nfs/dbraw/zinc/74/72/02/739747202.db2.gz JQPUWQFKLHLBBN-AGIUHOORSA-N 2 0 256.390 1.016 10 0 CDAERP CC1(C)C[NH2+]CC[C@@H](NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000872276587 739748859 /nfs/dbraw/zinc/74/88/59/739748859.db2.gz QDCLNBVRODWZBV-ZAZJYDDPSA-N 2 0 265.401 1.008 10 0 CDAERP CCCn1cc(CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)nn1 ZINC000714495224 739767138 /nfs/dbraw/zinc/76/71/38/739767138.db2.gz XNKKLYVVHKJHPR-LQDVMPOASA-N 2 0 277.416 1.793 10 0 CDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000381071158 739839968 /nfs/dbraw/zinc/83/99/68/739839968.db2.gz PDTMJVZPMOFSCM-CZUORRHYSA-N 2 0 289.423 1.751 10 0 CDAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CC(F)(F)C(F)F)CC2 ZINC000923450017 739828273 /nfs/dbraw/zinc/82/82/73/739828273.db2.gz SLMXBWDAZJAEDQ-SECBINFHSA-N 2 0 284.297 1.717 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925702023 739888588 /nfs/dbraw/zinc/88/85/88/739888588.db2.gz JKVNYGHDOYRMLF-SYQHCUMBSA-N 3 0 253.434 1.822 10 0 CDAERP C[N@@H+](Cc1ccc(Cl)nc1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923301484 739982762 /nfs/dbraw/zinc/98/27/62/739982762.db2.gz UMLYMOLLNLDLBH-GFCCVEGCSA-N 2 0 281.787 1.545 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C=C1CC[NH2+]CC1 ZINC000852864564 740035029 /nfs/dbraw/zinc/03/50/29/740035029.db2.gz ABPKAVCOPRUJGX-OKILXGFUSA-N 2 0 279.428 1.675 10 0 CDAERP [NH3+]C[C@@H]1CCc2ccccc2N1CCC[NH2+]C1CC1 ZINC000923389190 740074418 /nfs/dbraw/zinc/07/44/18/740074418.db2.gz GHYIMMAVVZJCPT-HNNXBMFYSA-N 2 0 259.397 1.909 10 0 CDAERP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925845450 740220262 /nfs/dbraw/zinc/22/02/62/740220262.db2.gz HDECPWARXUAPRZ-JKSUJKDBSA-N 3 0 282.476 1.312 10 0 CDAERP CCCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723921668 740244973 /nfs/dbraw/zinc/24/49/73/740244973.db2.gz JDUSGWSRNPAQPI-MGPQQGTHSA-N 2 0 269.433 1.598 10 0 CDAERP C[C@@H]1CN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CCN1C ZINC000810442407 740245160 /nfs/dbraw/zinc/24/51/60/740245160.db2.gz RRYCALOECVQCHJ-IUODEOHRSA-N 2 0 285.407 1.361 10 0 CDAERP COC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)C1CCOCC1 ZINC000925706396 740256535 /nfs/dbraw/zinc/25/65/35/740256535.db2.gz MJBCFDFFCXDNMY-KFWWJZLASA-N 2 0 284.444 1.924 10 0 CDAERP C1[C@H]([NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)C12CC[NH2+]CC2 ZINC000925703106 740266636 /nfs/dbraw/zinc/26/66/36/740266636.db2.gz CDBYSGBNLDJGPP-TUVASFSCSA-N 2 0 264.413 1.923 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)C[C@H](O)CC1CCCC1 ZINC000706611428 740269506 /nfs/dbraw/zinc/26/95/06/740269506.db2.gz MPXABFJDZSMNEU-CQSZACIVSA-N 2 0 258.406 1.095 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@H]2CCCNc3ccccc32)CC1 ZINC000925811257 740315110 /nfs/dbraw/zinc/31/51/10/740315110.db2.gz HPAQAVHJUURJCW-KRWDZBQOSA-N 2 0 288.439 1.946 10 0 CDAERP C[NH+](C)C1(C)CCN(C[C@@H](O)CC2(O)CCC2)CC1 ZINC000931354478 740341302 /nfs/dbraw/zinc/34/13/02/740341302.db2.gz KTMUSILLKMANQZ-ZDUSSCGKSA-N 2 0 270.417 1.069 10 0 CDAERP CC(C)NC(=O)CCN1CCC(C)([NH+](C)C)CC1 ZINC000931350502 740410373 /nfs/dbraw/zinc/41/03/73/740410373.db2.gz MKNFHFDWAKLLDF-UHFFFAOYSA-N 2 0 255.406 1.317 10 0 CDAERP C[N@@H+]1CCN(CC[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1(C)C ZINC000925661009 740488765 /nfs/dbraw/zinc/48/87/65/740488765.db2.gz BLUGYMNZBNLZTH-GJZGRUSLSA-N 3 0 296.503 1.508 10 0 CDAERP CC[C@H]1CCN(C(=[NH2+])NC[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000864453683 740507801 /nfs/dbraw/zinc/50/78/01/740507801.db2.gz AVUNKNRSNVWNQT-GJZGRUSLSA-N 2 0 295.475 1.126 10 0 CDAERP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000923414288 740522355 /nfs/dbraw/zinc/52/23/55/740522355.db2.gz LDFTVERBLFOTHQ-AGIUHOORSA-N 2 0 268.426 1.050 10 0 CDAERP Cn1ncc2cc(C[NH2+]C3CCC([NH+](C)C)CC3)cnc21 ZINC000865606343 740574401 /nfs/dbraw/zinc/57/44/01/740574401.db2.gz WYSTZZKICHECIZ-UHFFFAOYSA-N 2 0 287.411 1.931 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)N2CC[NH+](C3CCCC3)CC2)CC[N@@H+]1C ZINC000925318818 740650067 /nfs/dbraw/zinc/65/00/67/740650067.db2.gz HVWOAOITUBTPRM-HIFRSBDPSA-N 2 0 294.443 1.349 10 0 CDAERP CC[N@@H+]1CC[C@H]1CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000922159768 740652113 /nfs/dbraw/zinc/65/21/13/740652113.db2.gz URFRAODMAUPIMN-HOTGVXAUSA-N 2 0 289.423 1.890 10 0 CDAERP [NH3+]Cc1ccc2c(c1)CCCN2C(=O)c1ccnc(C[NH3+])c1 ZINC000818553268 740663412 /nfs/dbraw/zinc/66/34/12/740663412.db2.gz NMZRCGZTBDHXHF-UHFFFAOYSA-N 2 0 296.374 1.592 10 0 CDAERP CC[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000925840092 740795834 /nfs/dbraw/zinc/79/58/34/740795834.db2.gz GVYJLOREYXWFBD-CVEARBPZSA-N 3 0 282.476 1.182 10 0 CDAERP C[NH+](C)CC1(C[NH2+]C[C@H](O)c2ccc(F)cn2)CCCC1 ZINC000819228700 740703686 /nfs/dbraw/zinc/70/36/86/740703686.db2.gz XJSLCONOFVGPLV-HNNXBMFYSA-N 2 0 295.402 1.966 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@H]1C[NH2+]CCC1(F)F ZINC000925776499 740780249 /nfs/dbraw/zinc/78/02/49/740780249.db2.gz KTLIGQOMADMYEN-TUAOUCFPSA-N 2 0 261.360 1.338 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000711227001 740806630 /nfs/dbraw/zinc/80/66/30/740806630.db2.gz SJIWXWBRKCMIJL-CQSZACIVSA-N 2 0 281.444 1.613 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(CF)CCOCC1 ZINC000925683916 740809027 /nfs/dbraw/zinc/80/90/27/740809027.db2.gz YGVIXYBFGXBJAX-VTXSZYRJSA-N 2 0 270.392 1.858 10 0 CDAERP CCOC(=O)N1CCC([NH2+]CCC2(C[NH3+])CC2)CC1 ZINC000844903680 740837118 /nfs/dbraw/zinc/83/71/18/740837118.db2.gz KJNBSLGRFBILAU-UHFFFAOYSA-N 2 0 269.389 1.326 10 0 CDAERP C[NH+](C)CC1(O)CC[NH+](C[C@H]2CCC(F)(F)C2)CC1 ZINC000710666430 740837422 /nfs/dbraw/zinc/83/74/22/740837422.db2.gz ZOJPRQYBFMOBLY-LBPRGKRZSA-N 2 0 276.371 1.810 10 0 CDAERP [NH3+]Cc1cccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000841851234 740851879 /nfs/dbraw/zinc/85/18/79/740851879.db2.gz IGPQWJRZTODGEJ-OKILXGFUSA-N 2 0 259.353 1.112 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)N1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000868218299 740894828 /nfs/dbraw/zinc/89/48/28/740894828.db2.gz CZZCMBJWEKCWAX-ZIAGYGMSSA-N 2 0 282.432 1.062 10 0 CDAERP COc1c(C)cnc(CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)c1C ZINC000870876292 740906329 /nfs/dbraw/zinc/90/63/29/740906329.db2.gz JVWKEJXTUWBWLV-WQGACYEGSA-N 2 0 289.379 1.451 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1ncc[nH]1 ZINC000850500271 740912627 /nfs/dbraw/zinc/91/26/27/740912627.db2.gz FGSHRZOLYPGJGH-STQMWFEESA-N 2 0 267.421 1.332 10 0 CDAERP COC(=O)C[C@@H]1CCC[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923372682 740916789 /nfs/dbraw/zinc/91/67/89/740916789.db2.gz IJXWTIHTELLVHE-DKUMPPAJSA-N 2 0 280.412 1.935 10 0 CDAERP [NH3+]CCCCCCNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000831292415 740920745 /nfs/dbraw/zinc/92/07/45/740920745.db2.gz YVDKRHFLUBTMJF-CYBMUJFWSA-N 2 0 268.405 1.041 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCN1CCc2ccccc21 ZINC000925832228 740922921 /nfs/dbraw/zinc/92/29/21/740922921.db2.gz CBQIJHQFVWWVIV-OAHLLOKOSA-N 2 0 277.412 1.393 10 0 CDAERP CCNC(=O)C(C)(C)C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925608388 740929742 /nfs/dbraw/zinc/92/97/42/740929742.db2.gz XCHGMEQDNXITLT-MNOVXSKESA-N 2 0 253.390 1.008 10 0 CDAERP C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](CC[NH3+])C1)c1ccc(F)cc1 ZINC000923487515 740946018 /nfs/dbraw/zinc/94/60/18/740946018.db2.gz FDHSDVGYPRZISN-CHWSQXEVSA-N 2 0 293.386 1.674 10 0 CDAERP CN1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCC[C@@H]([S@](C)=O)C1 ZINC000926685921 741071470 /nfs/dbraw/zinc/07/14/70/741071470.db2.gz JVCFSFSLESJIOG-GYLCMISSSA-N 2 0 284.469 1.606 10 0 CDAERP CCO[C@@H](C[NH+]1CCC(O)(C[NH+](C)C)CC1)C1CC1 ZINC000931480203 741013876 /nfs/dbraw/zinc/01/38/76/741013876.db2.gz ORSRWHRXSJXQRX-AWEZNQCLSA-N 2 0 270.417 1.190 10 0 CDAERP COC1(OC)CC[C@H]1[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000926574060 741022825 /nfs/dbraw/zinc/02/28/25/741022825.db2.gz UFCQXVGLEOZSPM-QWHCGFSZSA-N 2 0 256.390 1.459 10 0 CDAERP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)[C@H](C)N1CCOCC1 ZINC000925499592 741038268 /nfs/dbraw/zinc/03/82/68/741038268.db2.gz RDESUNSDPMYXOA-BYNSBNAKSA-N 2 0 283.460 1.591 10 0 CDAERP CC[C@H](C[C@](C)(O)CC)[NH2+]C[C@@H](C)N1CC[NH+](CC)CC1 ZINC000924672593 741045792 /nfs/dbraw/zinc/04/57/92/741045792.db2.gz UGZQQZPFHNWRJH-BRWVUGGUSA-N 2 0 299.503 1.932 10 0 CDAERP [NH3+]CCCCCCCN1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000866718166 741134165 /nfs/dbraw/zinc/13/41/65/741134165.db2.gz YCZSEWAGODVWMQ-LSDHHAIUSA-N 2 0 253.434 1.970 10 0 CDAERP C[NH+](C)CCC[C@H]1C[N@H+](C[Si](C)(C)C)CCO1 ZINC000852760184 741138980 /nfs/dbraw/zinc/13/89/80/741138980.db2.gz BONCRVIHNUJMDR-ZDUSSCGKSA-N 2 0 258.482 1.906 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)CCCCC[NH3+] ZINC000854013901 741142398 /nfs/dbraw/zinc/14/23/98/741142398.db2.gz KIODCOHLQPJSGY-UHFFFAOYSA-N 2 0 257.422 1.742 10 0 CDAERP Cc1c(F)nccc1C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000862368589 741244773 /nfs/dbraw/zinc/24/47/73/741244773.db2.gz JMWIXLDULSJVJI-UHFFFAOYSA-N 2 0 296.434 1.844 10 0 CDAERP C[C@H]1CCC[C@@](CNC(=O)[C@]2(C)CCC[NH2+]2)([NH+](C)C)C1 ZINC000079519385 741307729 /nfs/dbraw/zinc/30/77/29/741307729.db2.gz DBDHVBVDBLXVFZ-CWRNSKLLSA-N 2 0 281.444 1.755 10 0 CDAERP C[NH+](C)CCc1ccc(C(=O)NC2CC([NH+](C)C)C2)cc1 ZINC000857227762 741325314 /nfs/dbraw/zinc/32/53/14/741325314.db2.gz UBBFABABRVKTTG-UHFFFAOYSA-N 2 0 289.423 1.613 10 0 CDAERP C[C@@H]([NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)C1CC[NH+](C)CC1 ZINC000848571794 741336172 /nfs/dbraw/zinc/33/61/72/741336172.db2.gz UGMYGZOIBRTRTD-BXUZGUMPSA-N 2 0 281.400 1.290 10 0 CDAERP C[C@H](c1cccnc1)N1CCN(CCC[NH2+]C2CC2)CC1 ZINC000923327013 741357411 /nfs/dbraw/zinc/35/74/11/741357411.db2.gz LSXVMHSKEFPMEA-OAHLLOKOSA-N 2 0 288.439 1.902 10 0 CDAERP CC1(C)C[C@@H]([NH2+]C2CCN([C@H]3CCOC3)CC2)C[C@@H]([NH3+])C1 ZINC000925705777 741296231 /nfs/dbraw/zinc/29/62/31/741296231.db2.gz IDVHSZKQZMYUGD-KBMXLJTQSA-N 3 0 295.471 1.735 10 0 CDAERP CC[NH+]1CCC(N[C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC1 ZINC000925512246 741406178 /nfs/dbraw/zinc/40/61/78/741406178.db2.gz BNWXJBXNACBSCM-ILXRZTDVSA-N 2 0 265.445 1.837 10 0 CDAERP C[C@H]([NH3+])[C@H]1CCCN(C(=O)CCC23CC(C2)C[NH2+]3)C1 ZINC000870936828 741442548 /nfs/dbraw/zinc/44/25/48/741442548.db2.gz QFLSDQKBFAEPKY-SDFYHXNISA-N 2 0 265.401 1.104 10 0 CDAERP CCC[C@@](C)(O)C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925611544 741492675 /nfs/dbraw/zinc/49/26/75/741492675.db2.gz MPPJTKZVJHPUTF-UKTARXLSSA-N 2 0 254.418 1.904 10 0 CDAERP CCCC[N@@H+]1CCCC[C@H]1CNC1=[NH+]CCCCN1 ZINC000849215844 741606838 /nfs/dbraw/zinc/60/68/38/741606838.db2.gz HGWNQYXHUWKYQB-AWEZNQCLSA-N 2 0 266.433 1.970 10 0 CDAERP C[C@H](CS(C)(=O)=O)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000715529537 741609907 /nfs/dbraw/zinc/60/99/07/741609907.db2.gz VPRDFFZATVDHGT-PNESKVBLSA-N 2 0 276.446 1.272 10 0 CDAERP C[C@H](CN[C@@H]1C[C@@H]([NH3+])C12CCC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000925545846 741801789 /nfs/dbraw/zinc/80/17/89/741801789.db2.gz CTVAISRIEDAIAK-KBUPBQIOSA-N 2 0 265.445 1.966 10 0 CDAERP C[NH+](C)[C@@H](CNC(=[NH2+])NC[C@H]1CCCO1)C1CCCCC1 ZINC000066245340 741825526 /nfs/dbraw/zinc/82/55/26/741825526.db2.gz CECAFDPFECDMLQ-CABCVRRESA-N 2 0 296.459 1.580 10 0 CDAERP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925819689 741828591 /nfs/dbraw/zinc/82/85/91/741828591.db2.gz YFSCRNZYHKKZDK-HUUCEWRRSA-N 3 0 290.455 1.307 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](CCO[C@@H]2CCOC2)CC1 ZINC000929277778 741829684 /nfs/dbraw/zinc/82/96/84/741829684.db2.gz UROWVPAZQYFYLZ-MRXNPFEDSA-N 2 0 284.444 1.846 10 0 CDAERP O=C1N[C@@H](C2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)CO1 ZINC000923525070 741850551 /nfs/dbraw/zinc/85/05/51/741850551.db2.gz CVRPTQXFJNUYPW-TZMCWYRMSA-N 2 0 281.400 1.197 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@@H]1C(=O)NC1CCC([NH3+])CC1 ZINC000089397998 741861985 /nfs/dbraw/zinc/86/19/85/741861985.db2.gz VYDBGUCZKPULDK-WTIISPKJSA-N 2 0 253.390 1.138 10 0 CDAERP COC(=O)c1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cs1 ZINC000923492570 741879778 /nfs/dbraw/zinc/87/97/78/741879778.db2.gz XICNYMUGQMEUEW-JQWIXIFHSA-N 2 0 282.409 1.951 10 0 CDAERP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC000866712782 741937202 /nfs/dbraw/zinc/93/72/02/741937202.db2.gz XERAXNJHMRZUNC-SOUVJXGZSA-N 2 0 293.411 1.434 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc(F)cc2)C12CCC2 ZINC000925536287 741943116 /nfs/dbraw/zinc/94/31/16/741943116.db2.gz CHZSNQOTYCBTMT-BFHYXJOUSA-N 2 0 264.344 1.719 10 0 CDAERP CC(C)[C@H]1COCC[C@@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000924579068 741881377 /nfs/dbraw/zinc/88/13/77/741881377.db2.gz USRGTYAKGGZNKR-CVEARBPZSA-N 2 0 283.460 1.275 10 0 CDAERP C[C@@H]1C[N@H+](CCCN[C@@H]2C[NH+]3C[C@@H]2CCC3)CCCO1 ZINC000926286622 742023252 /nfs/dbraw/zinc/02/32/52/742023252.db2.gz IPIZDYOFIOBGML-OWCLPIDISA-N 2 0 281.444 1.171 10 0 CDAERP O[C@H](C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)C1CC1 ZINC000838898650 742058829 /nfs/dbraw/zinc/05/88/29/742058829.db2.gz OMBRXBCVZCKPLK-VNQPRFMTSA-N 2 0 264.413 1.706 10 0 CDAERP CC[N@@H+]1CC[C@H](CN[C@@H](C)c2cc(C)nn2C)C1 ZINC000793521752 742211538 /nfs/dbraw/zinc/21/15/38/742211538.db2.gz LUDZAURYYNGIHH-QWHCGFSZSA-N 2 0 250.390 1.721 10 0 CDAERP C[C@@H]1CC([NH2+]CCN2CCC([NH3+])CC2)C[C@@H](C)C1 ZINC000721945038 742186266 /nfs/dbraw/zinc/18/62/66/742186266.db2.gz WLVCBSOWNFUVRW-STQMWFEESA-N 2 0 253.434 1.824 10 0 CDAERP Cc1cc([C@@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)n(C)n1 ZINC000925802999 742329964 /nfs/dbraw/zinc/32/99/64/742329964.db2.gz LOXDVVZQBFJFSI-RAIGVLPGSA-N 2 0 250.390 1.625 10 0 CDAERP CC/C=C(\C)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870023238 742367748 /nfs/dbraw/zinc/36/77/48/742367748.db2.gz PNCIMPMUYLLTKQ-ISJXMTRFSA-N 2 0 281.444 1.541 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CN1CCC([NH+]2CCCOCC2)CC1 ZINC000931285164 742441778 /nfs/dbraw/zinc/44/17/78/742441778.db2.gz HPLUOBPLMSHBDP-MRXNPFEDSA-N 2 0 281.444 1.267 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC1(F)CCC1 ZINC000849028268 739352080 /nfs/dbraw/zinc/35/20/80/739352080.db2.gz GJFPWXKNHCDUTB-GFCCVEGCSA-N 2 0 270.396 1.867 10 0 CDAERP FC(F)(F)C(F)(F)OCC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000720308024 739382335 /nfs/dbraw/zinc/38/23/35/739382335.db2.gz JNDOQTKMVXNZBX-QMMMGPOBSA-N 2 0 276.249 1.890 10 0 CDAERP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CCSC2)C[C@H]1C(F)(F)F ZINC000720845335 739381929 /nfs/dbraw/zinc/38/19/29/739381929.db2.gz QTOOVDGGEZNXQS-IVZWLZJFSA-N 2 0 268.348 1.809 10 0 CDAERP CC[C@@H](C)NC(=[NH2+])NCCCC[NH+]1CCOCC1 ZINC000848989189 739398511 /nfs/dbraw/zinc/39/85/11/739398511.db2.gz DLXKTKHCBILESJ-GFCCVEGCSA-N 2 0 256.394 1.011 10 0 CDAERP Cc1ccc([C@@H](C)C(=O)NCCN(C)CCC[NH+](C)C)o1 ZINC000855415367 739508651 /nfs/dbraw/zinc/50/86/51/739508651.db2.gz WLGDFCWDMLDAIE-CQSZACIVSA-N 2 0 295.427 1.691 10 0 CDAERP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H]3CCC4(COC4)O3)CC[C@H]21 ZINC000929846154 739579580 /nfs/dbraw/zinc/57/95/80/739579580.db2.gz GYKISNORMPDIPA-RBSFLKMASA-N 2 0 280.412 1.351 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000874468728 739782134 /nfs/dbraw/zinc/78/21/34/739782134.db2.gz PLZKJFPCGRDNDU-QWHCGFSZSA-N 2 0 255.406 1.031 10 0 CDAERP C[N@@H+]1C[C@@H]2CCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC000816952879 739825480 /nfs/dbraw/zinc/82/54/80/739825480.db2.gz UQVWGOVCRMAVMR-ZENOOKHLSA-N 2 0 297.418 1.361 10 0 CDAERP COC[C@](C)(O)C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925614643 739966704 /nfs/dbraw/zinc/96/67/04/739966704.db2.gz ZHKLTZCMGGBJEP-QLFBSQMISA-N 2 0 270.417 1.142 10 0 CDAERP c1ccc([C@H]2C[NH2+]CCN2CCC[NH2+]C2CC2)cc1 ZINC000923375094 739986427 /nfs/dbraw/zinc/98/64/27/739986427.db2.gz GXFLNVBEZMILHH-MRXNPFEDSA-N 2 0 259.397 1.775 10 0 CDAERP c1ccc2c(c1)cncc2C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000135650194 740023769 /nfs/dbraw/zinc/02/37/69/740023769.db2.gz XSWFQEODVSVCFT-OKILXGFUSA-N 2 0 253.349 1.886 10 0 CDAERP CC(F)(F)CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000718610110 740032894 /nfs/dbraw/zinc/03/28/94/740032894.db2.gz TZIWKCHQTVUSPO-LLVKDONJSA-N 2 0 277.359 1.209 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000094752409 740083202 /nfs/dbraw/zinc/08/32/02/740083202.db2.gz MUTJFIZPZRSUJY-UPJWGTAASA-N 2 0 253.390 1.104 10 0 CDAERP Cc1csc(=O)n1CC[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705110 740142520 /nfs/dbraw/zinc/14/25/20/740142520.db2.gz UAKVZZPVOIBIPS-HNNXBMFYSA-N 2 0 297.468 1.915 10 0 CDAERP CC[C@H](C[C@@H](C)O)[NH2+]C[C@@H](O)CN(C)Cc1ccccc1 ZINC000872240540 740196956 /nfs/dbraw/zinc/19/69/56/740196956.db2.gz IEVNXDDYNVGSPS-DJIMGWMZSA-N 2 0 294.439 1.618 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)CC1 ZINC000925817404 740207496 /nfs/dbraw/zinc/20/74/96/740207496.db2.gz RKSQJXQJEARKKS-IJEWVQPXSA-N 2 0 281.444 1.204 10 0 CDAERP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857854359 740335941 /nfs/dbraw/zinc/33/59/41/740335941.db2.gz LBKAPZWDTWPOMD-GJZGRUSLSA-N 2 0 292.427 1.614 10 0 CDAERP C[C@H]1C[N@H+](CCC(=O)Nc2cccnc2)CC[C@H]1C[NH3+] ZINC000923496504 740372592 /nfs/dbraw/zinc/37/25/92/740372592.db2.gz AEVIDKRCWMPRPF-STQMWFEESA-N 2 0 276.384 1.327 10 0 CDAERP C[N@H+](CCCC[NH2+][C@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000925686069 740388289 /nfs/dbraw/zinc/38/82/89/740388289.db2.gz QYVVBIDKLJUQJB-AWEZNQCLSA-N 2 0 251.418 1.735 10 0 CDAERP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NCCCCCC[NH3+] ZINC000843512762 740401932 /nfs/dbraw/zinc/40/19/32/740401932.db2.gz PMONMFOFENPZAL-ZENOOKHLSA-N 2 0 297.443 1.154 10 0 CDAERP C[NH+](C)Cc1cc(CNC2=[NH+]CCCCN2)ccc1F ZINC000849215936 740422821 /nfs/dbraw/zinc/42/28/21/740422821.db2.gz LLAWCUIDWNYWNG-UHFFFAOYSA-N 2 0 278.375 1.716 10 0 CDAERP CCO[C@H](C[NH+]1CCC(O)(C[NH+](C)C)CC1)C1CC1 ZINC000931480204 740475320 /nfs/dbraw/zinc/47/53/20/740475320.db2.gz ORSRWHRXSJXQRX-CQSZACIVSA-N 2 0 270.417 1.190 10 0 CDAERP COCCNC(=O)[C@H](CC(C)C)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925635230 740730510 /nfs/dbraw/zinc/73/05/10/740730510.db2.gz SQTDFWKZQGPLRP-BFHYXJOUSA-N 2 0 297.443 1.023 10 0 CDAERP O[C@@H](CC1CCCC1)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000310962834 740782628 /nfs/dbraw/zinc/78/26/28/740782628.db2.gz DZZGGNZWBMJBRV-LSDHHAIUSA-N 2 0 252.402 1.613 10 0 CDAERP O=C(CC[C@@H]1CCC[NH2+]C1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000857005122 740808664 /nfs/dbraw/zinc/80/86/64/740808664.db2.gz WDVPSLSPXZKSPN-HOCLYGCPSA-N 2 0 279.428 1.368 10 0 CDAERP C([C@@H]1C[C@@H]2COC[C@@H]2O1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000929277880 740819135 /nfs/dbraw/zinc/81/91/35/740819135.db2.gz XAPRGGPCTGOITE-IKGGRYGDSA-N 2 0 294.439 1.598 10 0 CDAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC[C@@H]1CNC(=O)C1 ZINC000925837217 740820696 /nfs/dbraw/zinc/82/06/96/740820696.db2.gz CSVUPIAKTUNTOP-RDBSUJKOSA-N 2 0 267.417 1.413 10 0 CDAERP C[C@@H](CNC(=O)C=C1CC[NH2+]CC1)C[NH+]1CCCCC1 ZINC000852861232 740839306 /nfs/dbraw/zinc/83/93/06/740839306.db2.gz RGRSPPHWBQFIDG-AWEZNQCLSA-N 2 0 279.428 1.534 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000792044920 740872942 /nfs/dbraw/zinc/87/29/42/740872942.db2.gz REPUIRILBQNAFU-CABCVRRESA-N 2 0 298.475 1.890 10 0 CDAERP C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000925513948 740924573 /nfs/dbraw/zinc/92/45/73/740924573.db2.gz BYVXMBAIQDVQAU-YDHLFZDLSA-N 2 0 277.416 1.119 10 0 CDAERP CO[C@H]1CCC[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)CC1 ZINC000718865430 740997925 /nfs/dbraw/zinc/99/79/25/740997925.db2.gz MICADOPMMWYNQA-KBPBESRZSA-N 2 0 270.417 1.380 10 0 CDAERP CCN1CC[NH+](CCCC[NH2+]Cc2cc[nH]c(=O)c2)CC1 ZINC000921527543 741021117 /nfs/dbraw/zinc/02/11/17/741021117.db2.gz OBBRSXZWJSPNMZ-UHFFFAOYSA-N 2 0 292.427 1.295 10 0 CDAERP C([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)[C@H]1CCC12CCOCC2 ZINC000925734656 741077247 /nfs/dbraw/zinc/07/72/47/741077247.db2.gz PZQMJQBVOLOZIU-KLOLGFOXSA-N 2 0 276.424 1.779 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H](CO)CC1CC1 ZINC000926712736 741200080 /nfs/dbraw/zinc/20/00/80/741200080.db2.gz IQERAOGFMQZWOL-JKXDFHQYSA-N 2 0 252.402 1.325 10 0 CDAERP C[C@H]([NH2+]C[C@H](O)[C@@H]1CCCO1)c1cccc(C[NH+](C)C)c1 ZINC000926748272 741299894 /nfs/dbraw/zinc/29/98/94/741299894.db2.gz DXWLMUVJYJKPRO-JQFCIGGWSA-N 2 0 292.423 1.939 10 0 CDAERP C[N@@H+]1CCN(CC[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1(C)C ZINC000925661010 741338799 /nfs/dbraw/zinc/33/87/99/741338799.db2.gz BLUGYMNZBNLZTH-HUUCEWRRSA-N 3 0 296.503 1.508 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[NH+](C)[C@@H](C(C)(C)C)C2)C1 ZINC000880614174 741339322 /nfs/dbraw/zinc/33/93/22/741339322.db2.gz RMFIZGKAUXWEMB-CHWSQXEVSA-N 2 0 267.417 1.127 10 0 CDAERP CC[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@H]1CCCOC1 ZINC000872042225 741420367 /nfs/dbraw/zinc/42/03/67/741420367.db2.gz ZRIQKCJERQGBEW-RDJZCZTQSA-N 2 0 297.487 1.807 10 0 CDAERP C[C@H]([NH2+]C1CC1)C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000825548035 741505324 /nfs/dbraw/zinc/50/53/24/741505324.db2.gz VFOWTUNHRUQTME-SGMGOOAPSA-N 2 0 265.401 1.118 10 0 CDAERP CCN(C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)[C@H]1CC[N@H+](C)C1 ZINC000853823664 741567633 /nfs/dbraw/zinc/56/76/33/741567633.db2.gz FNKMRTHWWJVFMN-ILXRZTDVSA-N 2 0 296.459 1.595 10 0 CDAERP C[N@@H+]1CCC[C@H]2CN(C(=O)C=C3CC[NH2+]CC3)CC[C@H]21 ZINC000852888006 741577904 /nfs/dbraw/zinc/57/79/04/741577904.db2.gz GSFJBGWICPKVRN-LSDHHAIUSA-N 2 0 277.412 1.239 10 0 CDAERP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3CC[C@@H](C4CC4)O3)C[C@@H]2C1 ZINC000931443456 741706037 /nfs/dbraw/zinc/70/60/37/741706037.db2.gz YHDUHNGVHSIBIY-QXSJWSMHSA-N 2 0 264.413 1.828 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1noc(C2CC2)n1 ZINC000849014467 741758465 /nfs/dbraw/zinc/75/84/65/741758465.db2.gz BIZHTNMFUVNQFO-NSHDSACASA-N 2 0 292.387 1.045 10 0 CDAERP Cn1nccc1CC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925640688 741836451 /nfs/dbraw/zinc/83/64/51/741836451.db2.gz UUDKSZAONQLHCJ-NWDGAFQWSA-N 2 0 250.390 1.458 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870886672 741891290 /nfs/dbraw/zinc/89/12/90/741891290.db2.gz PCAQJEFGSMLEFK-CTASWTNQSA-N 2 0 279.428 1.495 10 0 CDAERP CCO[C@H](CC[NH+](C)C)CNC(=[NH2+])NCCC1CC1 ZINC000864460610 741931427 /nfs/dbraw/zinc/93/14/27/741931427.db2.gz YGEVCQCIWGISIW-CYBMUJFWSA-N 2 0 270.421 1.257 10 0 CDAERP [NH3+]C[C@@H](NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)C1CCCCC1 ZINC000870936565 741968814 /nfs/dbraw/zinc/96/88/14/741968814.db2.gz MQWAOUWYDIHZQQ-COMQUAJESA-N 2 0 265.401 1.138 10 0 CDAERP [NH3+]C[C@@H](NC(=O)C=C1CC[NH2+]CC1)C1CCCCC1 ZINC000852796516 741973804 /nfs/dbraw/zinc/97/38/04/741973804.db2.gz DMVPCEVGKVYEGC-CQSZACIVSA-N 2 0 265.401 1.320 10 0 CDAERP Cc1nccn1CCCC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925523024 742164275 /nfs/dbraw/zinc/16/42/75/742164275.db2.gz QTVJKPFDFYISIC-KGLIPLIRSA-N 2 0 262.401 1.831 10 0 CDAERP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)C1 ZINC000924965018 742182735 /nfs/dbraw/zinc/18/27/35/742182735.db2.gz MWDIOYBTUKXPFH-JJXSEGSLSA-N 2 0 291.439 1.518 10 0 CDAERP CC1(C)[C@@H]([NH2+]C[C@]2(C)CCOC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925485935 742334177 /nfs/dbraw/zinc/33/41/77/742334177.db2.gz FHAYWEFLXGWNEU-OSFYFWSMSA-N 2 0 252.402 1.779 10 0 CDAERP Cc1cc(N[C@H]2CCC[N@@H+]3CCSC[C@H]23)nc(N)[nH+]1 ZINC000720445289 742384597 /nfs/dbraw/zinc/38/45/97/742384597.db2.gz RELYRPXYVXSCFD-WDEREUQCSA-N 2 0 279.413 1.359 10 0 CDAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925642121 742515342 /nfs/dbraw/zinc/51/53/42/742515342.db2.gz QEEOHCZVOFURLN-OAGGEKHMSA-N 3 0 296.503 1.508 10 0 CDAERP C[NH+](C)CC1CC[NH+](CC[S@@](=O)C(F)(F)F)CC1 ZINC000929283135 742516282 /nfs/dbraw/zinc/51/62/82/742516282.db2.gz NTAOVRQKJOGOPP-GOSISDBHSA-N 2 0 286.363 1.529 10 0 CDAERP OCCCCCCC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000852708518 742518371 /nfs/dbraw/zinc/51/83/71/742518371.db2.gz CTDGSRZQPMMTJL-MRXNPFEDSA-N 2 0 284.444 1.460 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1C[C@H](CC[NH3+])c2ccccc21 ZINC000923552989 742544193 /nfs/dbraw/zinc/54/41/93/742544193.db2.gz GUTXUYLJHYOWQF-RDBSUJKOSA-N 2 0 259.397 1.795 10 0 CDAERP OCCCN1CCC[C@@H]1C[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1 ZINC000926501299 742592230 /nfs/dbraw/zinc/59/22/30/742592230.db2.gz JMMIUPGWTRYQAS-ZACQAIPSSA-N 2 0 296.455 1.628 10 0 CDAERP CC[NH+]1CCC(N(C)C/C=C(\C)C(=O)OC)CC1 ZINC000214620558 742632901 /nfs/dbraw/zinc/63/29/01/742632901.db2.gz QQYOJFMRWWVEKC-WUXMJOGZSA-N 2 0 254.374 1.522 10 0 CDAERP CC(C)CCC[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863643757 742700418 /nfs/dbraw/zinc/70/04/18/742700418.db2.gz VOUBFOWNRYVBLF-CABCVRRESA-N 2 0 295.427 1.680 10 0 CDAERP Cc1csc(C[C@H]2CC[N@H+](CCN3CC[NH2+]CC3)C2)n1 ZINC000923551355 742725373 /nfs/dbraw/zinc/72/53/73/742725373.db2.gz NIEQILJJKLIJGA-CQSZACIVSA-N 2 0 294.468 1.221 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)CCCCCC[NH3+])CC[N@@H+]1C ZINC000178815297 742730538 /nfs/dbraw/zinc/73/05/38/742730538.db2.gz XKYVDVPCIWWHQV-ZIAGYGMSSA-N 2 0 269.433 1.837 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@@H]2CCCCC23CC[NH2+]CC3)C1 ZINC000872314291 742763412 /nfs/dbraw/zinc/76/34/12/742763412.db2.gz XTYDDCBBWQCDFO-ZOMKSWQUSA-N 2 0 291.439 1.542 10 0 CDAERP CC[N@@H+]1CCN(C(=O)[C@@H](C)CC[NH+](C)C)C[C@@H]1C ZINC001630692974 1166224834 /nfs/dbraw/zinc/22/48/34/1166224834.db2.gz KDADQFDHDLULQS-STQMWFEESA-N 2 0 255.406 1.127 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001565839169 1168181253 /nfs/dbraw/zinc/18/12/53/1168181253.db2.gz AGJCFBKMJNWWKZ-ZNMIVQPWSA-N 2 0 279.428 1.531 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCOCC)C1 ZINC001566792416 1168424818 /nfs/dbraw/zinc/42/48/18/1168424818.db2.gz KSDRLCKCAYZJDB-KKUMJFAQSA-N 2 0 297.443 1.134 10 0 CDAERP [NH3+][C@H]1CCCC[C@@H]1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC001647244041 1168484878 /nfs/dbraw/zinc/48/48/78/1168484878.db2.gz OTMDTTVWLBRWDT-GJZGRUSLSA-N 2 0 279.428 1.495 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]C(C)C)CC[N@@H+]1C ZINC001567016652 1168512058 /nfs/dbraw/zinc/51/20/58/1168512058.db2.gz JZYVZSQDBXCBMS-RWMBFGLXSA-N 2 0 255.406 1.219 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCC1CC1 ZINC001567027534 1168517881 /nfs/dbraw/zinc/51/78/81/1168517881.db2.gz CKLNWIWCPLEAEQ-GXTWGEPZSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001567107129 1168563304 /nfs/dbraw/zinc/56/33/04/1168563304.db2.gz OVPDSFHMKOBTOZ-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CCCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001567117146 1168569469 /nfs/dbraw/zinc/56/94/69/1168569469.db2.gz WPYYSBVGHMXVMN-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001272555420 913431105 /nfs/dbraw/zinc/43/11/05/913431105.db2.gz KGLIFZKDDQRMIZ-ZIAGYGMSSA-N 2 0 269.433 1.421 10 0 CDAERP CC[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCS(=O)(=O)C1 ZINC000699212108 913592525 /nfs/dbraw/zinc/59/25/25/913592525.db2.gz SRBSBYRXCDGFEA-WTUNAVPPSA-N 2 0 286.441 1.026 10 0 CDAERP CCCCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001266349461 894497728 /nfs/dbraw/zinc/49/77/28/894497728.db2.gz GZEALLLPMAMFMS-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP CC(C)CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001266515278 895186718 /nfs/dbraw/zinc/18/67/18/895186718.db2.gz SPOHLXRLVMGDFN-UONOGXRCSA-N 2 0 267.417 1.317 10 0 CDAERP CC(C)=CC[NH+]1CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001266551189 895329001 /nfs/dbraw/zinc/32/90/01/895329001.db2.gz NGUKVMVOBGVRQJ-OAHLLOKOSA-N 2 0 281.444 1.731 10 0 CDAERP COCCCC[NH2+]CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001266759946 895990461 /nfs/dbraw/zinc/99/04/61/895990461.db2.gz OLKWPMRRNUASGN-UHFFFAOYSA-N 2 0 297.443 1.089 10 0 CDAERP CC[C@@H](C(=O)NC1CCC([NH2+]CCCF)CC1)[NH+](C)C ZINC001266913886 896332086 /nfs/dbraw/zinc/33/20/86/896332086.db2.gz SBYSCCOPRRAWTG-RUXDESIVSA-N 2 0 287.423 1.703 10 0 CDAERP Cc1cc(C[N@@H+](C)CCNC(=O)CC[NH+](C)C)cs1 ZINC001480908424 896487575 /nfs/dbraw/zinc/48/75/75/896487575.db2.gz VHBNKWNBKZOGIP-UHFFFAOYSA-N 2 0 283.441 1.556 10 0 CDAERP CN(CC[NH2+]CC1CC(F)(F)C1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267072136 896689947 /nfs/dbraw/zinc/68/99/47/896689947.db2.gz SDRCGOZPAFVOQC-GFCCVEGCSA-N 2 0 289.370 1.031 10 0 CDAERP COCCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001267306102 897544002 /nfs/dbraw/zinc/54/40/02/897544002.db2.gz DKDOAKGKXFZDMP-LSDHHAIUSA-N 2 0 299.459 1.047 10 0 CDAERP CCOCC[NH2+]CCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001267449893 897921701 /nfs/dbraw/zinc/92/17/01/897921701.db2.gz KHQGVGHJCMBYNX-UHFFFAOYSA-N 2 0 299.459 1.191 10 0 CDAERP CN(CC[NH2+]CCC(C)(C)C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001267456083 897932433 /nfs/dbraw/zinc/93/24/33/897932433.db2.gz LALFATZRZSVHKO-AWEZNQCLSA-N 2 0 283.460 1.812 10 0 CDAERP CC[C@H](C(=O)N(C)CC[NH2+]Cc1cccc(C)c1)[NH+](C)C ZINC001567592042 1168878073 /nfs/dbraw/zinc/87/80/73/1168878073.db2.gz QBPOBUMMSKRADL-MRXNPFEDSA-N 2 0 291.439 1.883 10 0 CDAERP COC[C@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)OC ZINC000694256941 898224413 /nfs/dbraw/zinc/22/44/13/898224413.db2.gz PVDDPULWHJQHHD-GSPSYOTPSA-N 2 0 256.390 1.253 10 0 CDAERP CC[C@H](C)C[N@H+](CC)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001480975016 898417403 /nfs/dbraw/zinc/41/74/03/898417403.db2.gz DIOWLMFPGMLZPA-HOCLYGCPSA-N 2 0 295.471 1.812 10 0 CDAERP CC[N@H+](CCNC(=O)C[NH+](C)C(C)C)CC1CCCC1 ZINC001481019461 898510135 /nfs/dbraw/zinc/51/01/35/898510135.db2.gz SUVPBBZJCJWONG-UHFFFAOYSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+]CC[C@H](C)F ZINC001481828726 902186146 /nfs/dbraw/zinc/18/61/46/902186146.db2.gz GMPFRYAZRGSOTR-KBPBESRZSA-N 2 0 299.434 1.847 10 0 CDAERP CC[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CCF ZINC001481854790 902227757 /nfs/dbraw/zinc/22/77/57/902227757.db2.gz GNZPUIOTWYJTHE-KBPBESRZSA-N 2 0 287.423 1.705 10 0 CDAERP CC(C)C[NH2+]CC[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001481990931 902442644 /nfs/dbraw/zinc/44/26/44/902442644.db2.gz GDISHVPEJAHJSG-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C)C[NH2+]CC1=CCCCC1)[NH+](C)C ZINC001268661649 902916746 /nfs/dbraw/zinc/91/67/46/902916746.db2.gz DDAJJJKWZWUAOL-HIFRSBDPSA-N 2 0 281.444 1.921 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001268701811 902989238 /nfs/dbraw/zinc/98/92/38/902989238.db2.gz HKHIUYMTRSHXIF-OLZOCXBDSA-N 2 0 269.433 1.469 10 0 CDAERP CN(CCC[NH2+]CC[C@@H]1CCCO1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001268782713 903119082 /nfs/dbraw/zinc/11/90/82/903119082.db2.gz BCJHOCJYCJDTEW-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CCCCCC[NH+]1CC(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001268879162 903206926 /nfs/dbraw/zinc/20/69/26/903206926.db2.gz MNMQIYSIJVEWIG-OAHLLOKOSA-N 2 0 295.471 1.957 10 0 CDAERP CN(CCC[NH2+]C/C=C\Cl)C(=O)C[NH+]1CCCC1 ZINC001268950087 903260772 /nfs/dbraw/zinc/26/07/72/903260772.db2.gz KYLAFODXCLNIMU-XQRVVYSFSA-N 2 0 273.808 1.273 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001269249959 903607310 /nfs/dbraw/zinc/60/73/10/903607310.db2.gz XOONPGSCQOXMQS-ZIAGYGMSSA-N 2 0 267.417 1.460 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001269278055 903644318 /nfs/dbraw/zinc/64/43/18/903644318.db2.gz BOTHLGYVSBCWNB-AWEZNQCLSA-N 2 0 279.428 1.485 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001269343845 903718485 /nfs/dbraw/zinc/71/84/85/903718485.db2.gz PGVGBRRHUQWWAI-UONOGXRCSA-N 2 0 267.417 1.319 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001269512725 903878211 /nfs/dbraw/zinc/87/82/11/903878211.db2.gz JBTGRBSIHSPJSN-UHFFFAOYSA-N 2 0 297.443 1.136 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](CC[NH2+]CCF)C1 ZINC001269712268 904057613 /nfs/dbraw/zinc/05/76/13/904057613.db2.gz OAGQRNOFOFEOSC-UONOGXRCSA-N 2 0 285.407 1.268 10 0 CDAERP CC(C)=CC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H](C)C1 ZINC001269958587 904234335 /nfs/dbraw/zinc/23/43/35/904234335.db2.gz HIVWTDYZPNZKDJ-LSDHHAIUSA-N 2 0 281.444 1.873 10 0 CDAERP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)C[NH2+]CCCF ZINC001270506137 904686259 /nfs/dbraw/zinc/68/62/59/904686259.db2.gz BVMIFOPFMLYROG-GFCCVEGCSA-N 2 0 273.396 1.030 10 0 CDAERP CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001482302888 904820394 /nfs/dbraw/zinc/82/03/94/904820394.db2.gz REKXGJHEMKKWCH-ZIAGYGMSSA-N 2 0 269.433 1.563 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001482427559 905367117 /nfs/dbraw/zinc/36/71/17/905367117.db2.gz BPIIBCXCYBSFKG-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP COCCCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001482432999 905388937 /nfs/dbraw/zinc/38/89/37/905388937.db2.gz IWRHSOXYMNVLOT-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[NH2+]C[C@H](C)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001270988744 905528209 /nfs/dbraw/zinc/52/82/09/905528209.db2.gz VQBZHOFUIVDEKX-LBPRGKRZSA-N 2 0 255.406 1.317 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001271091873 905638596 /nfs/dbraw/zinc/63/85/96/905638596.db2.gz GNQIGGYIWNVABR-CHWSQXEVSA-N 2 0 287.423 1.513 10 0 CDAERP CC(C)[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCCF ZINC001482547211 906995406 /nfs/dbraw/zinc/99/54/06/906995406.db2.gz KOIXUUBXAMYBAT-KGLIPLIRSA-N 2 0 287.423 1.561 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CC2CCC2)C1 ZINC001482661929 908134410 /nfs/dbraw/zinc/13/44/10/908134410.db2.gz HVRTZHACMXPLBN-JKSUJKDBSA-N 2 0 293.455 1.661 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cc[nH]c(=O)c1 ZINC000922243221 921402868 /nfs/dbraw/zinc/40/28/68/921402868.db2.gz PGHWENQRNIMALD-ZDUSSCGKSA-N 2 0 280.416 1.149 10 0 CDAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CCCF ZINC001482831462 908410805 /nfs/dbraw/zinc/41/08/05/908410805.db2.gz NBXDGVHWQZEIHX-KBPBESRZSA-N 2 0 287.423 1.703 10 0 CDAERP Cc1cncn1CC(=O)N[C@H](C)CC[NH2+]CC1CCC1 ZINC001482854236 908431676 /nfs/dbraw/zinc/43/16/76/908431676.db2.gz ZIZXKEUDAKAMQH-GFCCVEGCSA-N 2 0 278.400 1.476 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CCC1CC1 ZINC001483012722 908691796 /nfs/dbraw/zinc/69/17/96/908691796.db2.gz UZLYBZZMXZSKHU-MJSXRHKHSA-N 2 0 293.455 1.921 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CCC1CC1 ZINC001483097008 909335607 /nfs/dbraw/zinc/33/56/07/909335607.db2.gz HCGLCRJEEXQPJT-AWFCHZOYSA-N 2 0 293.455 1.923 10 0 CDAERP CC[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CCCF ZINC001567985033 1169109568 /nfs/dbraw/zinc/10/95/68/1169109568.db2.gz YOETZSLKOGONHX-QWHCGFSZSA-N 2 0 273.396 1.172 10 0 CDAERP CN(CC(C)(C)C[NH2+]C[C@H]1CCOC1)C(=O)CC[NH+](C)C ZINC001424883239 909681381 /nfs/dbraw/zinc/68/13/81/909681381.db2.gz HWHHQSMEZOTRPY-CQSZACIVSA-N 2 0 299.459 1.049 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001483379771 911023242 /nfs/dbraw/zinc/02/32/42/911023242.db2.gz ZPTGXQBLDNMQGA-CQSZACIVSA-N 2 0 269.433 1.731 10 0 CDAERP C[C@@H]1[C@@H]([NH2+]Cc2ccns2)CCN1C(=O)CC[NH+](C)C ZINC001507291854 911042958 /nfs/dbraw/zinc/04/29/58/911042958.db2.gz YDBWLNUQVQBIEO-YPMHNXCESA-N 2 0 296.440 1.174 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC001483569944 911276413 /nfs/dbraw/zinc/27/64/13/911276413.db2.gz GGRPQMPMVRLBLA-JKSUJKDBSA-N 2 0 293.455 1.921 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001483924733 915197319 /nfs/dbraw/zinc/19/73/19/915197319.db2.gz KOHYIGBPHGTLEL-STQMWFEESA-N 2 0 253.390 1.071 10 0 CDAERP CCCC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001484377419 915693744 /nfs/dbraw/zinc/69/37/44/915693744.db2.gz PVRCOVBHQAIZDT-HOCLYGCPSA-N 2 0 295.471 1.812 10 0 CDAERP C[C@@H](CC[NH2+]CC1CCCC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001272688895 916072559 /nfs/dbraw/zinc/07/25/59/916072559.db2.gz SWKPFBLAGNSAMF-DZGCQCFKSA-N 2 0 281.444 1.755 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001485078067 916477554 /nfs/dbraw/zinc/47/75/54/916477554.db2.gz RZQHDJNAQYDESU-ZIAGYGMSSA-N 2 0 269.433 1.659 10 0 CDAERP CC[C@H](C)C[N@H+](C)[C@H](C)CNC(=O)Cn1ccnc1 ZINC001485393758 916928777 /nfs/dbraw/zinc/92/87/77/916928777.db2.gz CYCDLZYJWMEVAC-QWHCGFSZSA-N 2 0 266.389 1.366 10 0 CDAERP CCCC[N@H+](C)[C@H](C)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001485386353 916937970 /nfs/dbraw/zinc/93/79/70/916937970.db2.gz WOQYRTDLNLAWLJ-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP CCCC[C@@H](C[NH2+]CC)NC(=O)[C@H]1CCc2nccn2C1 ZINC001485465390 916987111 /nfs/dbraw/zinc/98/71/11/916987111.db2.gz JNTMFIYZBJRAEG-KBPBESRZSA-N 2 0 292.427 1.730 10 0 CDAERP CCCC[C@H](C[NH2+]CC)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001485471535 916999962 /nfs/dbraw/zinc/99/99/62/916999962.db2.gz ISPWDDLVJBQXFP-QWHCGFSZSA-N 2 0 255.406 1.223 10 0 CDAERP CC(C)[NH2+]C[C@H]1C[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001485702833 917206071 /nfs/dbraw/zinc/20/60/71/917206071.db2.gz DYYLLJTVOWJJMV-HDJSIYSDSA-N 2 0 269.433 1.611 10 0 CDAERP C[N@H+](CCF)C[C@@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001366883633 918064664 /nfs/dbraw/zinc/06/46/64/918064664.db2.gz UTLXNMYBSZZGAF-LSDHHAIUSA-N 2 0 299.434 1.611 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]CCC(F)(F)F ZINC001485960511 920628128 /nfs/dbraw/zinc/62/81/28/920628128.db2.gz HSFJEHJIYNNYKZ-LLVKDONJSA-N 2 0 297.365 1.716 10 0 CDAERP C[C@@H]1[C@@H]([NH2+]CCCF)CCN1C(=O)C[NH+]1CCCC1 ZINC001486094513 920694261 /nfs/dbraw/zinc/69/42/61/920694261.db2.gz BRYAEOFWEILUNC-OLZOCXBDSA-N 2 0 271.380 1.021 10 0 CDAERP CCCC[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1(C)C ZINC001486234859 920850298 /nfs/dbraw/zinc/85/02/98/920850298.db2.gz YOVVMYALGMMQHJ-KFWWJZLASA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)OCC[NH+]1CC([C@@H](C)NC(=O)C[N@H+](C)C(C)C)C1 ZINC001409980892 922606040 /nfs/dbraw/zinc/60/60/40/922606040.db2.gz WIQKTWGYDGNAPX-CQSZACIVSA-N 2 0 299.459 1.188 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001490947334 936834400 /nfs/dbraw/zinc/83/44/00/936834400.db2.gz OHSXTVJMGHTPCX-DZKIICNBSA-N 2 0 279.428 1.509 10 0 CDAERP CC1CC[NH+](CC(=O)N2CCCC[C@H]2C[NH2+]CCF)CC1 ZINC001491267989 936886890 /nfs/dbraw/zinc/88/68/90/936886890.db2.gz UZVKVXZCLZESHH-HNNXBMFYSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[NH+](CC2CC2)CC1(C)C ZINC001410029709 924216633 /nfs/dbraw/zinc/21/66/33/924216633.db2.gz HWROXTMROMTTIW-AWEZNQCLSA-N 2 0 281.444 1.563 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCc1ccccc1 ZINC001491413239 936910626 /nfs/dbraw/zinc/91/06/26/936910626.db2.gz BSAKBVJJMNFXNE-ZBFHGGJFSA-N 2 0 289.423 1.418 10 0 CDAERP CCOC(=O)N1CCC([NH2+][C@@H]2CNC[C@H](C)C2)CC1 ZINC000401787107 936913363 /nfs/dbraw/zinc/91/33/63/936913363.db2.gz AIRVINNKSPWUHW-YPMHNXCESA-N 2 0 269.389 1.195 10 0 CDAERP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)C[N@H+](C)C(C)C)co1 ZINC001273202421 924601972 /nfs/dbraw/zinc/60/19/72/924601972.db2.gz FSMQIPNOZBHWRN-LBPRGKRZSA-N 2 0 296.415 1.308 10 0 CDAERP C[NH+](C)CCC(=O)N[C@]12CCC[C@@H]1[N@H+](CCCF)CC2 ZINC001410884387 926723037 /nfs/dbraw/zinc/72/30/37/926723037.db2.gz BDVCXBJGJAFAQC-ZFWWWQNUSA-N 2 0 285.407 1.411 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001488858908 926724394 /nfs/dbraw/zinc/72/43/94/926724394.db2.gz PYBWFIYHVKBOHB-LXTVHRRPSA-N 2 0 299.434 1.561 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](CCC3CC3)CC[C@@H]2C1 ZINC001489203127 926826537 /nfs/dbraw/zinc/82/65/37/926826537.db2.gz UPMYTORBQYFBBL-CVEARBPZSA-N 2 0 293.455 1.519 10 0 CDAERP CC[N@H+](C)CCOCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001489213930 926830843 /nfs/dbraw/zinc/83/08/43/926830843.db2.gz LSZQOMMBVFNDRO-UHFFFAOYSA-N 2 0 297.443 1.042 10 0 CDAERP C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)CCC(F)(F)F ZINC001490163837 926997836 /nfs/dbraw/zinc/99/78/36/926997836.db2.gz DAPXJHBGCCUUIT-NSHDSACASA-N 2 0 295.349 1.471 10 0 CDAERP C[C@H]([NH2+]CCCCCC[NH3+])c1ccc(S(N)(=O)=O)cc1 ZINC000843342803 937139560 /nfs/dbraw/zinc/13/95/60/937139560.db2.gz UOGJUPWHSZINLT-LBPRGKRZSA-N 2 0 299.440 1.504 10 0 CDAERP CCC[NH+]1CCC([C@@H](C)NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001411235289 927285311 /nfs/dbraw/zinc/28/53/11/927285311.db2.gz LQGSNJMRBSCBLN-CQSZACIVSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C1CC[NH+](C(C)C)CC1 ZINC001411257285 927330270 /nfs/dbraw/zinc/33/02/70/927330270.db2.gz FBLKPFZZESWDJY-AWEZNQCLSA-N 2 0 283.460 1.952 10 0 CDAERP COC[C@H](C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)OC ZINC000693664852 937250430 /nfs/dbraw/zinc/25/04/30/937250430.db2.gz NZWKFFILJHPUFM-QNWHQSFQSA-N 2 0 256.390 1.014 10 0 CDAERP CC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@@H]21 ZINC001568516413 1169341038 /nfs/dbraw/zinc/34/10/38/1169341038.db2.gz WZLOPCXMZQQBFL-KBPBESRZSA-N 2 0 267.417 1.269 10 0 CDAERP CC[C@H](F)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001274025874 931125814 /nfs/dbraw/zinc/12/58/14/931125814.db2.gz OAHBXZZBBDRQBD-LUNKNMTDSA-N 2 0 299.434 1.869 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC/C=C\C[NH2+]C(C)C)C1 ZINC001274297809 931489024 /nfs/dbraw/zinc/48/90/24/931489024.db2.gz JZVHPQQLPRHXHZ-IYKSTZQJSA-N 2 0 281.444 1.779 10 0 CDAERP C[NH+]1CCC(C(=O)NC/C=C/C[NH2+]C/C=C/Cl)CC1 ZINC001274330717 931491128 /nfs/dbraw/zinc/49/11/28/931491128.db2.gz GBESVYARADYESO-AOGGBPEJSA-N 2 0 285.819 1.343 10 0 CDAERP C[C@H](C[NH2+]C/C=C/Cl)NC(=O)CC1CC[NH+](C)CC1 ZINC001274943992 931613906 /nfs/dbraw/zinc/61/39/06/931613906.db2.gz LRKUSZYXRCUIJD-MJRJWQSSSA-N 2 0 287.835 1.565 10 0 CDAERP CCN1CC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001144154618 931673621 /nfs/dbraw/zinc/67/36/21/931673621.db2.gz FLZGOFGUYUIGKS-MGPQQGTHSA-N 2 0 265.401 1.214 10 0 CDAERP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CC[NH+]1CC[C@@H](F)C1 ZINC001411836666 932059920 /nfs/dbraw/zinc/05/99/20/932059920.db2.gz VCRINXCRNQMDFA-MCIONIFRSA-N 2 0 285.407 1.219 10 0 CDAERP C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@H](C)[NH2+]CCF ZINC001447838655 932108652 /nfs/dbraw/zinc/10/86/52/932108652.db2.gz CZTNJQMGZKEEQY-STQMWFEESA-N 2 0 287.423 1.703 10 0 CDAERP Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)CC[NH+](C)C)cc1 ZINC001495731409 932723959 /nfs/dbraw/zinc/72/39/59/932723959.db2.gz QQPUWAASHPIAAM-OAHLLOKOSA-N 2 0 291.439 1.789 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)CC1 ZINC000924668601 932810304 /nfs/dbraw/zinc/81/03/04/932810304.db2.gz DVALQAKETSVQCJ-YYIAUSFCSA-N 2 0 277.456 1.957 10 0 CDAERP C[C@@H](C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)CN1CCOCC1 ZINC000925507636 932895229 /nfs/dbraw/zinc/89/52/29/932895229.db2.gz BOQWEFVSOWFBFU-FZKCQIBNSA-N 2 0 295.471 1.321 10 0 CDAERP COC(=O)[C@@H](C1CC1)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000691898760 933132922 /nfs/dbraw/zinc/13/29/22/933132922.db2.gz OOXWDFIWSCTHJK-CQSZACIVSA-N 2 0 280.412 1.746 10 0 CDAERP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001490857584 934570874 /nfs/dbraw/zinc/57/08/74/934570874.db2.gz PRLGLLJWKZMAKV-DKLOGILVSA-N 2 0 293.455 1.875 10 0 CDAERP CC(C)[NH2+]CCCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001276332994 935016215 /nfs/dbraw/zinc/01/62/15/935016215.db2.gz NJIVTZIHKCJMLS-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)=CC[NH2+]CC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001568671034 1169423204 /nfs/dbraw/zinc/42/32/04/1169423204.db2.gz JUYNEYQXZDVSKL-AWEZNQCLSA-N 2 0 281.444 1.779 10 0 CDAERP CC(C)=CC[NH2+]CC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001568698215 1169435687 /nfs/dbraw/zinc/43/56/87/1169435687.db2.gz AUPNHPYYKQMCKU-LSDHHAIUSA-N 2 0 281.444 1.779 10 0 CDAERP CCO[C@@H]1C[N@H+](CCOc2ccc(C)cc2)C[C@H]1C[NH3+] ZINC000405303427 940980150 /nfs/dbraw/zinc/98/01/50/940980150.db2.gz OWYQDQANEZPYKR-GDBMZVCRSA-N 2 0 278.396 1.669 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405351699 940983893 /nfs/dbraw/zinc/98/38/93/940983893.db2.gz OLUQJTGDKAHZFC-MCIONIFRSA-N 2 0 251.418 1.720 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(CC)CC[NH2+]CCC2CC2)CC[N@@H+]1C ZINC001568743075 1169459063 /nfs/dbraw/zinc/45/90/63/1169459063.db2.gz BJMZLNRCYGQFBE-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP CCOC1CC(C[N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)C1 ZINC001473842380 970864773 /nfs/dbraw/zinc/86/47/73/970864773.db2.gz NVTOFVOHEUBPRL-JYVUQVBGSA-N 2 0 252.402 1.685 10 0 CDAERP CC(C)CCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001281771063 942619416 /nfs/dbraw/zinc/61/94/16/942619416.db2.gz YFELZPCMHIOBDD-LSDHHAIUSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@@H](NC(=O)CCCC[NH+](C)C)C1C[NH+](CC2CC2)C1 ZINC001282738986 942746457 /nfs/dbraw/zinc/74/64/57/942746457.db2.gz RRXCGJQLKMYIQB-CYBMUJFWSA-N 2 0 281.444 1.565 10 0 CDAERP CC[NH2+]CCC[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001283260075 942867770 /nfs/dbraw/zinc/86/77/70/942867770.db2.gz LGFCBFHYNQLCLM-AWEZNQCLSA-N 2 0 269.433 1.613 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CCOC(C)C)C[C@H]1C ZINC001284026942 943054808 /nfs/dbraw/zinc/05/48/08/943054808.db2.gz SRKGDXITPXLESC-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP COCC[NH2+]C[C@H]1CCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001277874867 943935546 /nfs/dbraw/zinc/93/55/46/943935546.db2.gz UMZWINHLUGBASU-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001277922152 944052476 /nfs/dbraw/zinc/05/24/76/944052476.db2.gz LYISLDXOOCXDJL-VXGBXAGGSA-N 2 0 261.385 1.123 10 0 CDAERP C[NH+](C)CCCC(=O)N1CCCCC[C@@H]([NH2+]CCCO)C1 ZINC001264682509 944163596 /nfs/dbraw/zinc/16/35/96/944163596.db2.gz YHBXWJDMBVVKGW-OAHLLOKOSA-N 2 0 299.459 1.071 10 0 CDAERP CC1CC[NH+](CC(=O)NCCC[N@H+](C)CCF)CC1 ZINC001265051099 944214369 /nfs/dbraw/zinc/21/43/69/944214369.db2.gz YPHTVCLMIDUKKU-UHFFFAOYSA-N 2 0 273.396 1.126 10 0 CDAERP CCCC[NH2+]C[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001265624211 944450024 /nfs/dbraw/zinc/45/00/24/944450024.db2.gz NQTGJYKRXRJITG-JKSUJKDBSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001266006766 944625660 /nfs/dbraw/zinc/62/56/60/944625660.db2.gz PDOKCTUYPPJUJI-KBPBESRZSA-N 2 0 269.433 1.706 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H](C[NH2+]CCF)C2)C1 ZINC001266009727 944628365 /nfs/dbraw/zinc/62/83/65/944628365.db2.gz XXHPASPWJXKATA-GJZGRUSLSA-N 2 0 299.434 1.516 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]CCC2CC2)C1 ZINC001266032365 944642934 /nfs/dbraw/zinc/64/29/34/944642934.db2.gz XOGLEPREAWOGAP-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)=CC[NH+]1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001266189746 944743082 /nfs/dbraw/zinc/74/30/82/944743082.db2.gz KRKLNNMEXREGKQ-UHFFFAOYSA-N 2 0 281.444 1.827 10 0 CDAERP CC1CC(C[NH2+]C/C=C/CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001568920221 1169546965 /nfs/dbraw/zinc/54/69/65/1169546965.db2.gz QROFWVJSNPRGFA-BJLFWGEBSA-N 2 0 293.455 1.636 10 0 CDAERP OCCCOCC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC001262201733 946517057 /nfs/dbraw/zinc/51/70/57/946517057.db2.gz DJPVIAXJLSIHPS-GJZGRUSLSA-N 2 0 270.417 1.143 10 0 CDAERP CCC[NH2+]C/C=C\CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001568968722 1169568095 /nfs/dbraw/zinc/56/80/95/1169568095.db2.gz AGEFIQSRWKPJRD-YOQOKRQFSA-N 2 0 267.417 1.531 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CCCF)CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001278409748 947729357 /nfs/dbraw/zinc/72/93/57/947729357.db2.gz LCNCUTKMQGGCSH-CABCVRRESA-N 2 0 299.434 1.657 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@]12CCC[C@@H]1[NH+](CC)CC2 ZINC001278466265 948441625 /nfs/dbraw/zinc/44/16/25/948441625.db2.gz HIUAUSLOVIZBFJ-DZGCQCFKSA-N 2 0 267.417 1.461 10 0 CDAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC[C@@H](C)F)C1 ZINC001480139354 971598164 /nfs/dbraw/zinc/59/81/64/971598164.db2.gz SHQBVRBNOXBPSQ-KBUPBQIOSA-N 2 0 299.434 1.844 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001278522290 949711373 /nfs/dbraw/zinc/71/13/73/949711373.db2.gz WCNMHEMDNPHXNK-ZIAGYGMSSA-N 2 0 269.433 1.563 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CCCC2CCC2)C1 ZINC001480157750 971607101 /nfs/dbraw/zinc/60/71/01/971607101.db2.gz YKQUQEFWTNVHRR-SHTZXODSSA-N 2 0 281.444 1.755 10 0 CDAERP CC1(C)CCC[N@@H+]1CCNC(=O)CC[NH+]1CC[C@@H](F)C1 ZINC001362844371 971661067 /nfs/dbraw/zinc/66/10/67/971661067.db2.gz BPHOMECSZKCHLI-CYBMUJFWSA-N 2 0 285.407 1.411 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001480436764 971726876 /nfs/dbraw/zinc/72/68/76/971726876.db2.gz WZAIFBUOVBCXNL-QWHCGFSZSA-N 2 0 253.390 1.141 10 0 CDAERP C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CCC1CC1 ZINC001480462846 971741907 /nfs/dbraw/zinc/74/19/07/971741907.db2.gz NZQWUHPGYRSVBV-DOMZBBRYSA-N 2 0 279.428 1.223 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001480596206 971800079 /nfs/dbraw/zinc/80/00/79/971800079.db2.gz JGLPLDOMVRKPKH-VXGBXAGGSA-N 2 0 261.385 1.169 10 0 CDAERP CC(C)[C@@H]1CN(C(=O)[C@H]2CC[C@H]3C[C@@H](C)C[N@@H+]3C2)CC[NH2+]1 ZINC001362998565 971802602 /nfs/dbraw/zinc/80/26/02/971802602.db2.gz PMFXXRUOEQFLDC-UGUYLWEFSA-N 2 0 293.455 1.563 10 0 CDAERP CC(C)CCC[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001480658390 971827777 /nfs/dbraw/zinc/82/77/77/971827777.db2.gz DKVNZYIGKDKHAX-OAHLLOKOSA-N 2 0 283.460 1.812 10 0 CDAERP O=C(N[C@H]1CCC[C@H]([NH2+]CCCF)C1)C12CC[NH+](CC1)C2 ZINC001480708165 971845655 /nfs/dbraw/zinc/84/56/55/971845655.db2.gz OKCUWKAWKIWALY-KBPBESRZSA-N 2 0 297.418 1.459 10 0 CDAERP CC(C)[NH2+][C@H](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001480763620 971870115 /nfs/dbraw/zinc/87/01/15/971870115.db2.gz KRKBVISSKKEHBF-TZMCWYRMSA-N 2 0 267.417 1.221 10 0 CDAERP C[C@@H](CCNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC1CC1 ZINC001480803983 971885184 /nfs/dbraw/zinc/88/51/84/971885184.db2.gz OGQFMTKOKYGSKC-GXTWGEPZSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)(C(=O)N1CC[C@@H](CC[NH2+]CCF)C1)[NH+]1CCCC1 ZINC001326330939 954326390 /nfs/dbraw/zinc/32/63/90/954326390.db2.gz IBXJUQWJEXIQRC-CQSZACIVSA-N 2 0 299.434 1.659 10 0 CDAERP O=C(NCCN(CCF)C1CC1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001493430477 972050808 /nfs/dbraw/zinc/05/08/08/972050808.db2.gz RDGVSECFRJSWBY-HUUCEWRRSA-N 2 0 297.418 1.553 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1 ZINC001491674158 955380091 /nfs/dbraw/zinc/38/00/91/955380091.db2.gz RFOBAQLNGAZFQT-ZFWWWQNUSA-N 2 0 275.396 1.233 10 0 CDAERP CCC[N@@H+]1CCC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001421658020 955457185 /nfs/dbraw/zinc/45/71/85/955457185.db2.gz MSMKWPNBDJIQPH-UHFFFAOYSA-N 2 0 281.444 1.663 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001491847364 955467920 /nfs/dbraw/zinc/46/79/20/955467920.db2.gz GQILPONWQJUIRY-JKSUJKDBSA-N 2 0 293.455 1.733 10 0 CDAERP CC(C)[C@@H](C(=O)N1CC[C@H](C[NH2+]CCF)C1)[NH+]1CCCC1 ZINC001491855534 955469741 /nfs/dbraw/zinc/46/97/41/955469741.db2.gz IPJFOWGNWCMTAT-CABCVRRESA-N 2 0 299.434 1.514 10 0 CDAERP Cc1nc(C)c(C[NH2+]C[C@@H](C)CNC(=O)CC[NH+](C)C)o1 ZINC001421748969 955522850 /nfs/dbraw/zinc/52/28/50/955522850.db2.gz SZWUTXUUQQTCQM-LLVKDONJSA-N 2 0 296.415 1.085 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccsc1 ZINC001421765178 955531695 /nfs/dbraw/zinc/53/16/95/955531695.db2.gz FABSVNQZENUFID-OCCSQVGLSA-N 2 0 295.452 1.542 10 0 CDAERP COC[C@@H](C)[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCCC1 ZINC001421847968 955589886 /nfs/dbraw/zinc/58/98/86/955589886.db2.gz IXAMOBJVIUOPNQ-CQSZACIVSA-N 2 0 297.443 1.136 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1cncs1 ZINC001421983567 955686635 /nfs/dbraw/zinc/68/66/35/955686635.db2.gz FRLOLJNHBUBYCO-LBPRGKRZSA-N 2 0 298.456 1.421 10 0 CDAERP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)CC[NH+]1CC[C@H](F)C1 ZINC001363379477 972126888 /nfs/dbraw/zinc/12/68/88/972126888.db2.gz GKLIFVYKJXYRDJ-BFHYXJOUSA-N 2 0 283.391 1.115 10 0 CDAERP CC(C)[N@@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)C[C@@H](C)O ZINC001493863612 972128827 /nfs/dbraw/zinc/12/88/27/972128827.db2.gz DGUDTIDIYSYHLH-HUUCEWRRSA-N 2 0 299.459 1.068 10 0 CDAERP CN(CC(C)(C)C[NH2+]CCF)C(=O)C[N@H+](C)C1CCC1 ZINC001329303711 955812001 /nfs/dbraw/zinc/81/20/01/955812001.db2.gz PRPXLSPZUDKJRU-UHFFFAOYSA-N 2 0 287.423 1.514 10 0 CDAERP CNC(=O)N[C@@H]1CCCN(CCC[NH+]2CCCCC2)C1 ZINC001422250537 955891003 /nfs/dbraw/zinc/89/10/03/955891003.db2.gz DCBCBFARALGTSD-CQSZACIVSA-N 2 0 282.432 1.256 10 0 CDAERP Cc1cc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C[NH+]2CCCC2)on1 ZINC001422421532 955991269 /nfs/dbraw/zinc/99/12/69/955991269.db2.gz FGXMOHWDFMSCBU-STQMWFEESA-N 2 0 294.399 1.062 10 0 CDAERP CC/C=C/CC[NH2+][C@H](C)CNC(=O)Cc1c[nH]cn1 ZINC001317273641 956014458 /nfs/dbraw/zinc/01/44/58/956014458.db2.gz YSKRLMUHDPINSN-ZYOFXKKJSA-N 2 0 264.373 1.403 10 0 CDAERP CCCCCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001329615337 956020291 /nfs/dbraw/zinc/02/02/91/956020291.db2.gz ZKLAQMFLDDQDQD-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP C[NH2+][C@H](C)CCNC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC001329925345 956183518 /nfs/dbraw/zinc/18/35/18/956183518.db2.gz GSXNHSBGRHSDMI-RISCZKNCSA-N 2 0 261.369 1.335 10 0 CDAERP CC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC001422665610 956241305 /nfs/dbraw/zinc/24/13/05/956241305.db2.gz YNNJCJJEMUDMTC-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)=CC[NH+]1CC([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001330046907 956250938 /nfs/dbraw/zinc/25/09/38/956250938.db2.gz JKYRGRSNKDWKAC-ZDUSSCGKSA-N 2 0 267.417 1.341 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001494049043 972166931 /nfs/dbraw/zinc/16/69/31/972166931.db2.gz UMYTZAGLSMMIJB-CABCVRRESA-N 2 0 283.460 1.812 10 0 CDAERP CCC[NH2+][C@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001366091656 956556936 /nfs/dbraw/zinc/55/69/36/956556936.db2.gz MPOOTIXDUGZVDO-STQMWFEESA-N 2 0 273.396 1.267 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001366194833 956632914 /nfs/dbraw/zinc/63/29/14/956632914.db2.gz BYSYPCGDQIYHLT-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP O=C(NCC1([NH2+]CC2CCC2)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001423220139 956673990 /nfs/dbraw/zinc/67/39/90/956673990.db2.gz DHHZKKVTZAKOEL-OAHLLOKOSA-N 2 0 291.439 1.367 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccccc1F ZINC001366269786 956698256 /nfs/dbraw/zinc/69/82/56/956698256.db2.gz NSIQUWCWCBOCBX-DOMZBBRYSA-N 2 0 293.386 1.514 10 0 CDAERP CC[C@H](F)C[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001423293419 956710643 /nfs/dbraw/zinc/71/06/43/956710643.db2.gz OEUPNPHFZCIPDM-LBPRGKRZSA-N 2 0 283.391 1.069 10 0 CDAERP CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1cncs1)[NH+](C)C ZINC001366295096 956719789 /nfs/dbraw/zinc/71/97/89/956719789.db2.gz VGQBCONPNJXIOJ-YPMHNXCESA-N 2 0 298.456 1.324 10 0 CDAERP Cc1ncc(C[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C)o1 ZINC001366347897 956762950 /nfs/dbraw/zinc/76/29/50/956762950.db2.gz SGDQIKMTXVGHCN-BXUZGUMPSA-N 2 0 296.415 1.164 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001366397451 956796134 /nfs/dbraw/zinc/79/61/34/956796134.db2.gz DBFREFBFXDFTKR-ZIAGYGMSSA-N 2 0 299.434 1.514 10 0 CDAERP COC[C@H](C)[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C(C)(C)C ZINC001423612332 956902526 /nfs/dbraw/zinc/90/25/26/956902526.db2.gz CGLQSQTVBQJDDS-KBPBESRZSA-N 2 0 299.459 1.238 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1CCC(F)(F)F ZINC001366677731 957108488 /nfs/dbraw/zinc/10/84/88/957108488.db2.gz LOJWINXUERQIED-LLVKDONJSA-N 2 0 295.349 1.471 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CC[NH+](CCC3CC3)C2)C1 ZINC001366703857 957125409 /nfs/dbraw/zinc/12/54/09/957125409.db2.gz HMNVNVJWQWRBTH-JKSUJKDBSA-N 2 0 293.455 1.566 10 0 CDAERP CCC[N@H+](CCNC(=O)COC1CC[NH+](C)CC1)C(C)C ZINC001366726057 957143452 /nfs/dbraw/zinc/14/34/52/957143452.db2.gz VWYKLCPGZPURBY-UHFFFAOYSA-N 2 0 299.459 1.334 10 0 CDAERP CC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001317067837 957240291 /nfs/dbraw/zinc/24/02/91/957240291.db2.gz FSAAZRBFSMMDIH-VQGNRHNMSA-N 2 0 279.428 1.485 10 0 CDAERP CCC[N@H+](C)CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001366883768 957247269 /nfs/dbraw/zinc/24/72/69/957247269.db2.gz IRGXRIHGKUCGQK-UHFFFAOYSA-N 2 0 281.444 1.663 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001366893921 957253907 /nfs/dbraw/zinc/25/39/07/957253907.db2.gz SNTOYJLJCDCMMX-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP COCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001317181218 957326544 /nfs/dbraw/zinc/32/65/44/957326544.db2.gz QEWHOIBLRYOQNC-OAHLLOKOSA-N 2 0 297.443 1.089 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N(C)[C@@H]1CC[N@H+](CC)C1 ZINC001367043602 957361362 /nfs/dbraw/zinc/36/13/62/957361362.db2.gz HPFJOTJMLWVZCF-OLZOCXBDSA-N 2 0 273.396 1.219 10 0 CDAERP C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]Cc1nccs1 ZINC001424815317 957368709 /nfs/dbraw/zinc/36/87/09/957368709.db2.gz GFIXDAQSTVGHGL-NWDGAFQWSA-N 2 0 298.456 1.468 10 0 CDAERP C[C@@H]([NH2+]Cc1cncs1)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001424848318 957381011 /nfs/dbraw/zinc/38/10/11/957381011.db2.gz ZJCVBWCLLSRVEE-NEPJUHHUSA-N 2 0 296.440 1.222 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)CC[C@H]1CCCO1 ZINC001425075560 957462652 /nfs/dbraw/zinc/46/26/52/957462652.db2.gz FIZSPDMCDKTIKU-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP CCC(CC)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001425079467 957464250 /nfs/dbraw/zinc/46/42/50/957464250.db2.gz SZXWMKSNVXLNCE-ZFWWWQNUSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)Cc1cccnc1 ZINC001425092495 957469016 /nfs/dbraw/zinc/46/90/16/957469016.db2.gz ZTFRPJCZOZDIJP-CQSZACIVSA-N 2 0 292.427 1.358 10 0 CDAERP C[C@H]1COC[C@H](C)C1[NH2+]CCC1CC[NH+](C)CC1 ZINC001332390880 957543941 /nfs/dbraw/zinc/54/39/41/957543941.db2.gz PWDQHIODFYECOQ-STQMWFEESA-N 2 0 254.418 1.979 10 0 CDAERP CN(CC[NH2+]C/C=C\Cl)C(=O)C[N@H+](C)CC(C)(C)C ZINC001317625845 957607399 /nfs/dbraw/zinc/60/73/99/957607399.db2.gz JVXPVUBRGFUZHF-SREVYHEPSA-N 2 0 289.851 1.765 10 0 CDAERP CN(CC[NH2+]CC=C(Cl)Cl)C(=O)CCC[NH+](C)C ZINC001317634526 957612977 /nfs/dbraw/zinc/61/29/77/957612977.db2.gz PMAOISGJAOFCHD-UHFFFAOYSA-N 2 0 296.242 1.695 10 0 CDAERP CC[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@H]12 ZINC001425902994 957638239 /nfs/dbraw/zinc/63/82/39/957638239.db2.gz JWOGXRVFOCTIPQ-HOCLYGCPSA-N 2 0 279.428 1.604 10 0 CDAERP CC(C)C[N@H+](C)CCN(C(=O)[C@@H]1CC[NH+](C)C1)C(C)C ZINC001426130002 957703276 /nfs/dbraw/zinc/70/32/76/957703276.db2.gz SUHZIEXJZNVTPM-OAHLLOKOSA-N 2 0 283.460 1.763 10 0 CDAERP CCCC[NH+]1CCC(CCNC(=O)CC[NH+](C)C)CC1 ZINC001367210789 957846473 /nfs/dbraw/zinc/84/64/73/957846473.db2.gz IWLQPJVJRJSFPV-UHFFFAOYSA-N 2 0 283.460 1.957 10 0 CDAERP CC(C)C[C@H](C[NH2+]C(C)C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001367423695 958005979 /nfs/dbraw/zinc/00/59/79/958005979.db2.gz KIQGYOSUXBRQQL-LSDHHAIUSA-N 2 0 283.460 1.857 10 0 CDAERP CCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](C)C1 ZINC001318304029 958024490 /nfs/dbraw/zinc/02/44/90/958024490.db2.gz MSMFCWLMWLOMDZ-KBPBESRZSA-N 2 0 267.417 1.461 10 0 CDAERP CC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](CC2CC2)C1)[NH+](C)C ZINC001494833915 972319773 /nfs/dbraw/zinc/31/97/73/972319773.db2.gz XGCWSILFYLYDFR-ZIAGYGMSSA-N 2 0 267.417 1.269 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H](CC[NH2+]CC2CC2)C1 ZINC001318830980 958274847 /nfs/dbraw/zinc/27/48/47/958274847.db2.gz LTAWLGWQMTVEGJ-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP C[NH+](C)C1(C(=O)NC[C@@H]2CC[N@@H+]2CCC2CC2)CCC1 ZINC001367942982 958504305 /nfs/dbraw/zinc/50/43/05/958504305.db2.gz CKBDITBQAXRVRR-AWEZNQCLSA-N 2 0 279.428 1.461 10 0 CDAERP CC(C)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001368186628 958690999 /nfs/dbraw/zinc/69/09/99/958690999.db2.gz LOPMCNKTPUXNLA-DOTOQJQBSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001319694515 958691433 /nfs/dbraw/zinc/69/14/33/958691433.db2.gz GSJKNUGNBDBLTQ-CHWSQXEVSA-N 2 0 255.406 1.173 10 0 CDAERP CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001319860615 958757496 /nfs/dbraw/zinc/75/74/96/958757496.db2.gz HGELMPAMBMAEBU-GJZGRUSLSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001368436508 958845520 /nfs/dbraw/zinc/84/55/20/958845520.db2.gz JTVHEDKUYGMENB-KBPBESRZSA-N 2 0 285.407 1.363 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC2)C1 ZINC001368480662 958890605 /nfs/dbraw/zinc/89/06/05/958890605.db2.gz OKGSRMZTYZAMEB-XHSDSOJGSA-N 2 0 293.455 1.755 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@@H]1CCC[C@H]1C[NH2+]C/C=C\Cl ZINC001320188757 958996208 /nfs/dbraw/zinc/99/62/08/958996208.db2.gz ZSXYMTVPPWORRP-WREBYIDWSA-N 2 0 299.846 1.709 10 0 CDAERP C[C@H]([NH2+]CCOCCCO)c1cccc(C[NH+](C)C)c1 ZINC001334405273 959090488 /nfs/dbraw/zinc/09/04/88/959090488.db2.gz CXTAPFLBCFVZRR-AWEZNQCLSA-N 2 0 280.412 1.798 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001368798032 959137226 /nfs/dbraw/zinc/13/72/26/959137226.db2.gz LZPHVLYRLYEJKD-CABCVRRESA-N 2 0 281.444 1.851 10 0 CDAERP C[C@@H](CC[NH2+]Cc1cscn1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001320515166 959217214 /nfs/dbraw/zinc/21/72/14/959217214.db2.gz CSCRMNSXCAQZNW-WCQYABFASA-N 2 0 296.440 1.222 10 0 CDAERP C[C@H](CC[NH2+]CC1CC(F)(F)C1)NC(=O)CC[NH+](C)C ZINC001320545351 959231378 /nfs/dbraw/zinc/23/13/78/959231378.db2.gz WKOUXJYLAONMCC-LLVKDONJSA-N 2 0 291.386 1.468 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1cc(C)on1)[NH+](C)C ZINC001320609784 959272172 /nfs/dbraw/zinc/27/21/72/959272172.db2.gz WQQSMQYBUTVANZ-BXUZGUMPSA-N 2 0 296.415 1.308 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(CC)CC[NH2+]CC1CC1 ZINC001320753054 959367484 /nfs/dbraw/zinc/36/74/84/959367484.db2.gz RSKBNADDNSCFJV-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CCCNc2ncccn2)CC1(C)C ZINC001334891025 959436562 /nfs/dbraw/zinc/43/65/62/959436562.db2.gz QONAYLRWKSJBRV-CYBMUJFWSA-N 2 0 277.416 1.741 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)C1C[NH+](CC[C@@H](C)F)C1 ZINC001369165329 959495209 /nfs/dbraw/zinc/49/52/09/959495209.db2.gz QFTWXUGONLEFEY-OLZOCXBDSA-N 2 0 287.423 1.513 10 0 CDAERP CC[C@@H](C(=O)NC/C=C\C[NH2+]CC=C(C)C)[NH+](C)C ZINC001321335471 959728701 /nfs/dbraw/zinc/72/87/01/959728701.db2.gz HIMBODKYRBNUDV-DANTVBBOSA-N 2 0 267.417 1.555 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CC[NH+](CCCF)C1 ZINC001369987281 959945318 /nfs/dbraw/zinc/94/53/18/959945318.db2.gz QGCMMZCXWAZPJS-ZIAGYGMSSA-N 2 0 285.407 1.411 10 0 CDAERP CCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1CCC ZINC001322167807 960119209 /nfs/dbraw/zinc/11/92/09/960119209.db2.gz GDBWNWVVPQMGGV-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001495387750 972484032 /nfs/dbraw/zinc/48/40/32/972484032.db2.gz OKBLDKIOXHWTEC-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccn2)C1 ZINC001370707166 960186565 /nfs/dbraw/zinc/18/65/65/960186565.db2.gz VRAZGOQJHUYSEL-GASCZTMLSA-N 2 0 290.411 1.160 10 0 CDAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccccn1 ZINC001371361042 972487419 /nfs/dbraw/zinc/48/74/19/972487419.db2.gz FYNQGVRLAJPLAO-KGLIPLIRSA-N 2 0 290.411 1.018 10 0 CDAERP c1ccc(N2CCCC2)c(CN2CC[NH2+]CC[NH2+]CC2)c1 ZINC001336284975 960288591 /nfs/dbraw/zinc/28/85/91/960288591.db2.gz FSMREHCBXAXBKC-UHFFFAOYSA-N 2 0 288.439 1.282 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]1C[C@H]([NH2+]C[C@@H](F)CC)C1)[NH+](C)C ZINC001418652175 960850799 /nfs/dbraw/zinc/85/07/99/960850799.db2.gz HKVSQHMQVAPTHR-IGQOVBAYSA-N 2 0 287.423 1.559 10 0 CDAERP COC(=O)CCCC[N@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC001560137255 960867941 /nfs/dbraw/zinc/86/79/41/960867941.db2.gz ZJGOQHAFMOIMRA-QWHCGFSZSA-N 2 0 254.374 1.498 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1CCCCC[C@@H]([NH2+]CCO)C1 ZINC001418777464 961007692 /nfs/dbraw/zinc/00/76/92/961007692.db2.gz UVRDCVPLIVDNMP-OAHLLOKOSA-N 2 0 299.459 1.071 10 0 CDAERP CC[C@H](C(=O)N(C)[C@H]1CC[N@H+](CCOC(C)C)C1)[NH+](C)C ZINC001419141975 961417769 /nfs/dbraw/zinc/41/77/69/961417769.db2.gz QQMKEKJJESEWBJ-LSDHHAIUSA-N 2 0 299.459 1.284 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001419530393 961793733 /nfs/dbraw/zinc/79/37/33/961793733.db2.gz RUPAWFKDGNACKK-KBPBESRZSA-N 2 0 281.444 1.470 10 0 CDAERP CC(C)C[C@@H](C[NH2+]CC1CC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001419802872 962117164 /nfs/dbraw/zinc/11/71/64/962117164.db2.gz ZDIPOLPQYBVFIK-VNQPRFMTSA-N 2 0 295.471 1.857 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001436342803 962198395 /nfs/dbraw/zinc/19/83/95/962198395.db2.gz GRLDRPVJYGBCKF-MELADBBJSA-N 2 0 299.434 1.703 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC1CC(C)(C)C1 ZINC001419927575 962246710 /nfs/dbraw/zinc/24/67/10/962246710.db2.gz RZAWLUFDUPPGDE-JSGCOSHPSA-N 2 0 281.444 1.469 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1C[NH+](C)C[C@@H](C)O ZINC001436495491 962285746 /nfs/dbraw/zinc/28/57/46/962285746.db2.gz QFRDUSADFJTVCR-CABCVRRESA-N 2 0 299.459 1.022 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1cc(C)ns1 ZINC001437252459 962772883 /nfs/dbraw/zinc/77/28/83/962772883.db2.gz WMHUMJNLWMOHLA-LBPRGKRZSA-N 2 0 298.456 1.388 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001437456521 962920878 /nfs/dbraw/zinc/92/08/78/962920878.db2.gz ISXJFAICHMJNJJ-JSGCOSHPSA-N 2 0 285.407 1.124 10 0 CDAERP CC(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001437970837 963260995 /nfs/dbraw/zinc/26/09/95/963260995.db2.gz ACUBCGZQYRGVFG-CABCVRRESA-N 2 0 281.444 1.517 10 0 CDAERP C[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1CCCF)[NH+]1CCCCCC1 ZINC001420871141 963319132 /nfs/dbraw/zinc/31/91/32/963319132.db2.gz PWGURGCSVSNSEL-GJZGRUSLSA-N 2 0 299.434 1.801 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001438548217 963479237 /nfs/dbraw/zinc/47/92/37/963479237.db2.gz CKOVRDBOFXZAJM-QWHCGFSZSA-N 2 0 273.396 1.172 10 0 CDAERP CC(C)C[C@H](C[NH2+]CC1CC1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001438737688 963538864 /nfs/dbraw/zinc/53/88/64/963538864.db2.gz SYOCOJHXRGEIPD-GDBMZVCRSA-N 2 0 295.471 1.859 10 0 CDAERP CC1CC(C[N@@H+]2CC[C@@H]2CNC(=O)C[NH+]2CCCC2)C1 ZINC001439572102 963806174 /nfs/dbraw/zinc/80/61/74/963806174.db2.gz QHQGMKIOZWHZKI-YMAMQOFZSA-N 2 0 279.428 1.319 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@H]1C[C@@H]([NH2+]CC2CCCC2)C1 ZINC001440312954 963981937 /nfs/dbraw/zinc/98/19/37/963981937.db2.gz IVFPZZWYQQFPAX-IYBDPMFKSA-N 2 0 293.455 1.757 10 0 CDAERP CC[C@H](C)C[NH2+][C@@H]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001440402275 964015783 /nfs/dbraw/zinc/01/57/83/964015783.db2.gz NXBFISAAVZLMAT-SOUVJXGZSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[N@@H+]1CC1CC1 ZINC001440499398 964090297 /nfs/dbraw/zinc/09/02/97/964090297.db2.gz SFPPMIXMZDMTQL-HIFRSBDPSA-N 2 0 295.471 1.953 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH+](C)C(C)C)C1 ZINC001440963873 964294579 /nfs/dbraw/zinc/29/45/79/964294579.db2.gz SECRUSDYGFAOMW-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH+](C)CC1CCC1 ZINC001440970280 964301960 /nfs/dbraw/zinc/30/19/60/964301960.db2.gz MYMKMDWVEZVEQG-UONOGXRCSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1C[NH+](CCC2CC2)C1 ZINC001441202147 964418273 /nfs/dbraw/zinc/41/82/73/964418273.db2.gz HKZMBHOWMZSPKQ-ZFWWWQNUSA-N 2 0 293.455 1.565 10 0 CDAERP C[N@H+](CCF)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001441271901 964443445 /nfs/dbraw/zinc/44/34/45/964443445.db2.gz ATZVGLJTETYIIJ-KGLIPLIRSA-N 2 0 285.407 1.221 10 0 CDAERP CO[C@H](C)C[N@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001441288096 964452525 /nfs/dbraw/zinc/45/25/25/964452525.db2.gz BKRVUAWMRJWTOJ-CABCVRRESA-N 2 0 299.459 1.143 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001441363652 964476489 /nfs/dbraw/zinc/47/64/89/964476489.db2.gz DXWDAOVCBFFADK-KKUMJFAQSA-N 2 0 283.460 1.857 10 0 CDAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC[C@H](C)F)C1 ZINC001441493625 964549288 /nfs/dbraw/zinc/54/92/88/964549288.db2.gz SHQBVRBNOXBPSQ-BYNSBNAKSA-N 2 0 299.434 1.844 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC[C@H]2CCCO2)C1 ZINC001441546414 964582028 /nfs/dbraw/zinc/58/20/28/964582028.db2.gz GMYHIEHVWGYWCY-QLFBSQMISA-N 2 0 297.443 1.133 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)CCc1nccn1C ZINC001441652612 964633032 /nfs/dbraw/zinc/63/30/32/964633032.db2.gz WUXLDVAAVCZHIG-ZDUSSCGKSA-N 2 0 278.400 1.343 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H]1CCC[NH+](CCF)C1 ZINC001441688429 964653764 /nfs/dbraw/zinc/65/37/64/964653764.db2.gz XMEKYVOZSDGJJU-UONOGXRCSA-N 2 0 287.423 1.513 10 0 CDAERP CC(C)[NH+]1CCC([C@@H](C)NC(=O)C[NH+]2CCCC2)CC1 ZINC001442216734 964928425 /nfs/dbraw/zinc/92/84/25/964928425.db2.gz IRNWQFMMJVGAJJ-CQSZACIVSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001442521646 965101364 /nfs/dbraw/zinc/10/13/64/965101364.db2.gz REIMPWHONYUNRP-STQMWFEESA-N 2 0 273.396 1.124 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C[NH+](C)C ZINC001556805305 965106118 /nfs/dbraw/zinc/10/61/18/965106118.db2.gz HSDGBKBGWXEAAM-HZSPNIEDSA-N 2 0 269.433 1.421 10 0 CDAERP C[NH+](C)CCC(=O)NCC[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001443235933 965407748 /nfs/dbraw/zinc/40/77/48/965407748.db2.gz BQIXDYGPDWXKGR-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NCC[C@@H]2CC[NH+](CCF)C2)C1 ZINC001443261482 965417101 /nfs/dbraw/zinc/41/71/01/965417101.db2.gz JRXVPDOOSPJJBK-ZIAGYGMSSA-N 2 0 285.407 1.126 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001444378303 965812602 /nfs/dbraw/zinc/81/26/02/965812602.db2.gz HSPZEGBKDRKVCC-KGLIPLIRSA-N 2 0 283.460 1.716 10 0 CDAERP Cc1conc1C[NH2+]C[C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001444447955 965837688 /nfs/dbraw/zinc/83/76/88/965837688.db2.gz RVMHIIQYMRFKQO-LBPRGKRZSA-N 2 0 296.415 1.165 10 0 CDAERP CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCCC1 ZINC001444506604 965854838 /nfs/dbraw/zinc/85/48/38/965854838.db2.gz HZENKZPTKNSHMP-UONOGXRCSA-N 2 0 281.444 1.755 10 0 CDAERP CCC1([NH2+]CCF)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001447426326 966784648 /nfs/dbraw/zinc/78/46/48/966784648.db2.gz XEWWRKZFLVTTQW-AWEZNQCLSA-N 2 0 299.434 1.659 10 0 CDAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]CCC(F)(F)F ZINC001447534605 966810683 /nfs/dbraw/zinc/81/06/83/966810683.db2.gz CDZIRPCRZNBOMZ-QWRGUYRKSA-N 2 0 295.349 1.327 10 0 CDAERP CC1CC([NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1 ZINC001350957463 966811174 /nfs/dbraw/zinc/81/11/74/966811174.db2.gz RMCLIVZLIDPWMN-MCIGGMRASA-N 2 0 252.358 1.060 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CC1CCCC1 ZINC001447926874 966931969 /nfs/dbraw/zinc/93/19/69/966931969.db2.gz BKTGRQSDOMMUMR-ZIAGYGMSSA-N 2 0 283.460 2.000 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)C[C@H]1CCCOC1 ZINC001448139689 967013630 /nfs/dbraw/zinc/01/36/30/967013630.db2.gz ACYMIVSDXGBIMF-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)CC1CCOCC1 ZINC001448146166 967016315 /nfs/dbraw/zinc/01/63/15/967016315.db2.gz RFVNJFHKOQXBCH-CQSZACIVSA-N 2 0 299.459 1.190 10 0 CDAERP CC[NH2+][C@@H](CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)C(C)C ZINC001448219787 967034094 /nfs/dbraw/zinc/03/40/94/967034094.db2.gz UBIQKCWSNUKOCQ-GJZGRUSLSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC001457803580 969221435 /nfs/dbraw/zinc/22/14/35/969221435.db2.gz QOSPGEXAJMULPH-BPUTZDHNSA-N 2 0 289.423 1.746 10 0 CDAERP CC[C@@H](C)NC(=[NH2+])NC[C@H]1CCC[N@@H+]1CCOC ZINC000849001835 969394337 /nfs/dbraw/zinc/39/43/37/969394337.db2.gz ISVUJNJCLHRIBX-VXGBXAGGSA-N 2 0 256.394 1.010 10 0 CDAERP CC(C)[NH+]1CCN(C2CC[NH+](C[C@@H](O)C3CC3)CC2)CC1 ZINC001459872345 969454286 /nfs/dbraw/zinc/45/42/86/969454286.db2.gz FWRVMMLLQFZVED-QGZVFWFLSA-N 2 0 295.471 1.248 10 0 CDAERP C[NH+](C)CCCCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001520928061 970244362 /nfs/dbraw/zinc/24/43/62/970244362.db2.gz PTZLIICYODQFHN-HZSPNIEDSA-N 2 0 267.417 1.175 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH+]2CCC[C@H](C)C2)C1 ZINC001361801896 970546165 /nfs/dbraw/zinc/54/61/65/970546165.db2.gz FLTCGCGOJALXTA-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP CCOCC[N@@H+]1CC[C@@](C)(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001569642105 1169948238 /nfs/dbraw/zinc/94/82/38/1169948238.db2.gz XIBJQPCKOXGSRB-MRXNPFEDSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC001361964721 970722952 /nfs/dbraw/zinc/72/29/52/970722952.db2.gz ACPWJVGYZNWIOO-KFWWJZLASA-N 2 0 283.460 1.811 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2C[NH2+]C/C=C/Cl)C1 ZINC001495578808 972544773 /nfs/dbraw/zinc/54/47/73/972544773.db2.gz YDXRWURKJMZJLQ-DZYGNGBISA-N 2 0 299.846 1.661 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]C(C)C)C1 ZINC001496144860 972816155 /nfs/dbraw/zinc/81/61/55/972816155.db2.gz JKECHPLSAFQVHP-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)C[C@@H](C[NH2+]C(C)C)NC(=O)C[NH+]1CCCC1 ZINC001496295533 972875061 /nfs/dbraw/zinc/87/50/61/972875061.db2.gz MIBWORCFWWXOAT-AWEZNQCLSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)[C@@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+]CCCF ZINC001496573248 972976956 /nfs/dbraw/zinc/97/69/56/972976956.db2.gz BEFQTCFTNZRAGB-CQSZACIVSA-N 2 0 299.434 1.705 10 0 CDAERP C[C@H](CC[NH2+]C/C=C/Cl)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001497321925 973286601 /nfs/dbraw/zinc/28/66/01/973286601.db2.gz IEQBGLOXZIJNDQ-JKNNBXRXSA-N 2 0 273.808 1.175 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@H]([NH2+]C[C@@H](C)CC)C1)[NH+](C)C ZINC001373341597 973369594 /nfs/dbraw/zinc/36/95/94/973369594.db2.gz DKYSWQNLJGAIPD-SOUVJXGZSA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001417787383 973387066 /nfs/dbraw/zinc/38/70/66/973387066.db2.gz VQCINIYKICMLGJ-IHRRRGAJSA-N 2 0 299.434 1.703 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+]CCC2CC2)C1 ZINC001417803167 973393441 /nfs/dbraw/zinc/39/34/41/973393441.db2.gz RTOKQKLVSQYVKW-SHTZXODSSA-N 2 0 281.444 1.611 10 0 CDAERP CCCC[NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001497656236 973451756 /nfs/dbraw/zinc/45/17/56/973451756.db2.gz GUJWEEKUINANMF-SREVYHEPSA-N 2 0 281.444 1.923 10 0 CDAERP CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001497728180 973480140 /nfs/dbraw/zinc/48/01/40/973480140.db2.gz ASPDQWZPEKUXMG-XEVLESSRSA-N 2 0 281.444 1.779 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1C[NH+](CC2CC2)C1 ZINC001373562634 973490468 /nfs/dbraw/zinc/49/04/68/973490468.db2.gz YROOZXMDURRUES-CHWSQXEVSA-N 2 0 279.428 1.317 10 0 CDAERP CCC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001417955191 973495207 /nfs/dbraw/zinc/49/52/07/973495207.db2.gz KBCDIQKFWBKWQJ-AWEZNQCLSA-N 2 0 281.444 1.707 10 0 CDAERP CCC[NH2+]C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001497835903 973542109 /nfs/dbraw/zinc/54/21/09/973542109.db2.gz MXGJJVYZORXVOD-CYBMUJFWSA-N 2 0 267.417 1.367 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001418040525 973544243 /nfs/dbraw/zinc/54/42/43/973544243.db2.gz HKAPBMVHQKUNHP-ILXRZTDVSA-N 2 0 283.460 1.809 10 0 CDAERP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001373682284 973567870 /nfs/dbraw/zinc/56/78/70/973567870.db2.gz YLBFJCZJACYRBC-AWEZNQCLSA-N 2 0 295.452 1.733 10 0 CDAERP CC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](CCC(C)C)C1)[NH+](C)C ZINC001373691040 973570560 /nfs/dbraw/zinc/57/05/60/973570560.db2.gz ROLBRFDPUCVPDW-HUUCEWRRSA-N 2 0 283.460 1.905 10 0 CDAERP CC[C@H](C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1)OC ZINC001418097610 973583743 /nfs/dbraw/zinc/58/37/43/973583743.db2.gz OXXGHRUBWGTODN-BARDWOONSA-N 2 0 297.443 1.133 10 0 CDAERP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C(C)C)cc1 ZINC001497993297 973603732 /nfs/dbraw/zinc/60/37/32/973603732.db2.gz OOORSURMPDJFJO-OAHLLOKOSA-N 2 0 291.439 1.930 10 0 CDAERP CC[C@H](C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)C)OC ZINC001418152329 973612121 /nfs/dbraw/zinc/61/21/21/973612121.db2.gz CFPDWDGKNYCZPX-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP CC[NH2+]C[C@](C)(NC(=O)CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001373881721 973677985 /nfs/dbraw/zinc/67/79/85/973677985.db2.gz SFAFPAFLAADECL-ZBFHGGJFSA-N 2 0 281.444 1.755 10 0 CDAERP Cc1ncsc1C[NH2+][C@@H](C)CCNC(=O)CC[NH+](C)C ZINC001418420730 973812960 /nfs/dbraw/zinc/81/29/60/973812960.db2.gz JPORZDKNSMJDEV-NSHDSACASA-N 2 0 298.456 1.388 10 0 CDAERP CC[C@H](F)C[N@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C(C)C ZINC001498457465 973928926 /nfs/dbraw/zinc/92/89/26/973928926.db2.gz RPNHSMBWIWIVMH-OLZOCXBDSA-N 2 0 275.412 1.511 10 0 CDAERP COCCCCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001498944132 974125057 /nfs/dbraw/zinc/12/50/57/974125057.db2.gz MPUXHACPOXZNDI-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001375040051 974237730 /nfs/dbraw/zinc/23/77/30/974237730.db2.gz SDGXJNOTJKVVFA-ZFWWWQNUSA-N 2 0 281.444 1.421 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001499420260 974251919 /nfs/dbraw/zinc/25/19/19/974251919.db2.gz DFPGONYMKSWFOR-CHWSQXEVSA-N 2 0 285.407 1.315 10 0 CDAERP C[C@@H](C[N@H+](C)CC1CCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001375135790 974273791 /nfs/dbraw/zinc/27/37/91/974273791.db2.gz LYGBRWWAVYJRGU-ZDUSSCGKSA-N 2 0 279.428 1.319 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1CC1)C1CC1 ZINC001375277194 974312427 /nfs/dbraw/zinc/31/24/27/974312427.db2.gz KHZLVJAVSVPTLG-HOTGVXAUSA-N 2 0 293.455 1.755 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001375348523 974345912 /nfs/dbraw/zinc/34/59/12/974345912.db2.gz KNTFHOPPAGEXSY-HUUCEWRRSA-N 2 0 281.444 1.850 10 0 CDAERP CCC(CC)C[N@@H+]1CC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001375342230 974347282 /nfs/dbraw/zinc/34/72/82/974347282.db2.gz BHNKZGRLVYWHKX-GOEBONIOSA-N 2 0 295.471 1.955 10 0 CDAERP CCC(CC)C[N@@H+]1CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001375372076 974353814 /nfs/dbraw/zinc/35/38/14/974353814.db2.gz BNKAWDAORKTXJX-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001500378868 974429921 /nfs/dbraw/zinc/42/99/21/974429921.db2.gz YRQUFLWDJYPKTN-DZGCQCFKSA-N 2 0 269.433 1.565 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2[NH+](CC)C1 ZINC001375608089 974434978 /nfs/dbraw/zinc/43/49/78/974434978.db2.gz GRSKGNYHHKTQTQ-VGWMRTNUSA-N 2 0 293.455 1.517 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)C[N@H+](C)C(C)C)CCOCC1 ZINC001500601184 974455445 /nfs/dbraw/zinc/45/54/45/974455445.db2.gz XIDXDVBIQXMXAK-UHFFFAOYSA-N 2 0 299.459 1.382 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]CC2CCC2)C1 ZINC001501150588 974542411 /nfs/dbraw/zinc/54/24/11/974542411.db2.gz VEDHRLMBZILWSL-GOEBONIOSA-N 2 0 295.471 1.812 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCF ZINC001501174006 974546367 /nfs/dbraw/zinc/54/63/67/974546367.db2.gz XFNOOEDMMJIAIB-QDMKHBRRSA-N 2 0 297.418 1.411 10 0 CDAERP CCCN(C(=O)CC[NH+](C)C)C1CC[NH+](CCOC)CC1 ZINC001376187484 974596556 /nfs/dbraw/zinc/59/65/56/974596556.db2.gz VROFSYJDBOOONX-UHFFFAOYSA-N 2 0 299.459 1.288 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001376410441 974655142 /nfs/dbraw/zinc/65/51/42/974655142.db2.gz UMSTYPZRNKJLPT-RBSFLKMASA-N 2 0 299.434 1.847 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001505405702 974862707 /nfs/dbraw/zinc/86/27/07/974862707.db2.gz WVHPNJKWNJPTSK-HNNXBMFYSA-N 2 0 281.444 1.851 10 0 CDAERP C[C@@H](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CCC1 ZINC001377104225 974882476 /nfs/dbraw/zinc/88/24/76/974882476.db2.gz RBTLZTBNZBIBIR-ZFWWWQNUSA-N 2 0 281.444 1.613 10 0 CDAERP CCCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001505920349 975044257 /nfs/dbraw/zinc/04/42/57/975044257.db2.gz LBYPDBMBRKFLDE-UKRRQHHQSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)=CC[N@@H+](C)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001505988891 975073691 /nfs/dbraw/zinc/07/36/91/975073691.db2.gz OFXMJJAYKNWMDP-CQSZACIVSA-N 2 0 281.444 1.731 10 0 CDAERP O=C(NCC[N@H+](CC1CC1)C1CC1)C12CC[NH+](CC1)C2 ZINC001377558658 975074335 /nfs/dbraw/zinc/07/43/35/975074335.db2.gz PHDAEAXYSPLQOG-UHFFFAOYSA-N 2 0 277.412 1.073 10 0 CDAERP CC1CC(C[N@H+](C)C[C@@H]2CCCN2C(=O)CC[NH+](C)C)C1 ZINC001377664029 975104587 /nfs/dbraw/zinc/10/45/87/975104587.db2.gz QMQJBNFFRMPQLH-GPANFISMSA-N 2 0 295.471 1.907 10 0 CDAERP CC(C)CC[NH2+][C@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001377845981 975153051 /nfs/dbraw/zinc/15/30/51/975153051.db2.gz FWURNPQZTQNYNY-ZIAGYGMSSA-N 2 0 283.460 1.857 10 0 CDAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+](C)CC1CCCC1 ZINC001378148382 975260702 /nfs/dbraw/zinc/26/07/02/975260702.db2.gz VLDGRSRWLHTDNJ-CABCVRRESA-N 2 0 295.471 1.955 10 0 CDAERP COCCCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001507079854 975327607 /nfs/dbraw/zinc/32/76/07/975327607.db2.gz PPZOXRWYXUUJAI-RRFJBIMHSA-N 2 0 299.459 1.190 10 0 CDAERP CCCC[NH2+][C@H](C)CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001507138053 975350290 /nfs/dbraw/zinc/35/02/90/975350290.db2.gz YYFNIMFQBHHNQS-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@@](C)(C[NH2+]CC2CC2)C2CC2)C1 ZINC001401027340 975439632 /nfs/dbraw/zinc/43/96/32/975439632.db2.gz RBRMRAHGCLXTKK-YOEHRIQHSA-N 2 0 293.455 1.613 10 0 CDAERP CC(C)C[NH2+]C[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001378868733 975523694 /nfs/dbraw/zinc/52/36/94/975523694.db2.gz IFVVSXSCWBNILV-RBSFLKMASA-N 2 0 281.444 1.469 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@H](C[NH2+]CC1CCC1)C1CC1 ZINC001401879615 975966234 /nfs/dbraw/zinc/96/62/34/975966234.db2.gz YXMNAZMGFNEABW-OAHLLOKOSA-N 2 0 279.428 1.367 10 0 CDAERP COC[C@H](C)[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001379626795 975967959 /nfs/dbraw/zinc/96/79/59/975967959.db2.gz LYPXJIMYIGWDIB-DZKIICNBSA-N 2 0 297.443 1.086 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001398529258 976018128 /nfs/dbraw/zinc/01/81/28/976018128.db2.gz YMMXTDSYPXZNSF-KGLIPLIRSA-N 2 0 279.428 1.319 10 0 CDAERP CN(CC[N@H+](C)CC1CC1)C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001406110054 976034929 /nfs/dbraw/zinc/03/49/29/976034929.db2.gz WUJWGLMSAWRQAZ-JKSUJKDBSA-N 2 0 293.455 1.804 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001401959598 976040976 /nfs/dbraw/zinc/04/09/76/976040976.db2.gz ZQLXWTKSDQGFIH-VXGBXAGGSA-N 2 0 273.396 1.313 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]Cc2ccccn2)CC1 ZINC001401985854 976059715 /nfs/dbraw/zinc/05/97/15/976059715.db2.gz KZMOIBHBUXMQAV-UHFFFAOYSA-N 2 0 290.411 1.160 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[C@@H](C)O2)C1 ZINC001390012237 976084158 /nfs/dbraw/zinc/08/41/58/976084158.db2.gz QWTMKEJQFKYJJA-KBXIAJHMSA-N 2 0 297.443 1.133 10 0 CDAERP COC[C@H](C)[NH2+]C[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001390112097 976122481 /nfs/dbraw/zinc/12/24/81/976122481.db2.gz WHFGAMPUKHHIHB-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001402099249 976123370 /nfs/dbraw/zinc/12/33/70/976123370.db2.gz JLDXBYGVCQUPEC-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@@H+]1CCCC1CCC1 ZINC001380039692 976201331 /nfs/dbraw/zinc/20/13/31/976201331.db2.gz YXTHHXPRSMPKBF-INIZCTEOSA-N 2 0 293.455 1.853 10 0 CDAERP CCC[NH2+][C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001402291001 976220096 /nfs/dbraw/zinc/22/00/96/976220096.db2.gz AJXIGGARVPEMRQ-HUUCEWRRSA-N 2 0 279.428 1.223 10 0 CDAERP CC(C)[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001380155311 976269992 /nfs/dbraw/zinc/26/99/92/976269992.db2.gz UREFJVPERLDCGO-AWEZNQCLSA-N 2 0 281.444 1.896 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001402443684 976287986 /nfs/dbraw/zinc/28/79/86/976287986.db2.gz GDJOXWCVNJPJNE-XQLPTFJDSA-N 2 0 299.434 1.655 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)[NH2+]CC(C)C)C1 ZINC001390459457 976305224 /nfs/dbraw/zinc/30/52/24/976305224.db2.gz PQAVQCHDLUYSDM-LSDHHAIUSA-N 2 0 283.460 1.859 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ocnc2C)C1)[NH+](C)C ZINC001402515302 976329012 /nfs/dbraw/zinc/32/90/12/976329012.db2.gz QLCLFLMBQLYZBW-JHJVBQTASA-N 2 0 294.399 1.060 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1CC[C@H](C)F ZINC001406881918 976446441 /nfs/dbraw/zinc/44/64/41/976446441.db2.gz HYZFSULJQSBKMY-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001402757187 976469789 /nfs/dbraw/zinc/46/97/89/976469789.db2.gz OPWHDTVVMZSWTN-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)CC[NH2+][C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001402766720 976472139 /nfs/dbraw/zinc/47/21/39/976472139.db2.gz DBPLODJLEQSJCS-GJZGRUSLSA-N 2 0 283.460 1.809 10 0 CDAERP CC(C)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001402789395 976483804 /nfs/dbraw/zinc/48/38/04/976483804.db2.gz ZSQIHSDUJGCVFK-HUUCEWRRSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@@H](CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH2+]CCO ZINC001402828225 976503999 /nfs/dbraw/zinc/50/39/99/976503999.db2.gz GXSMQRPYLBKDCR-ZDUSSCGKSA-N 2 0 299.459 1.116 10 0 CDAERP CC(C)C[N@H+](C)CCCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001380981280 976636832 /nfs/dbraw/zinc/63/68/32/976636832.db2.gz GPKXKEKVGKIDMV-HNNXBMFYSA-N 2 0 283.460 1.765 10 0 CDAERP CCC[N@H+](C)CCC(=O)NC1(C[NH2+]C(C)C)CCOCC1 ZINC001381066225 976660070 /nfs/dbraw/zinc/66/00/70/976660070.db2.gz IKUWKVTXAOXNML-UHFFFAOYSA-N 2 0 299.459 1.382 10 0 CDAERP CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001403035185 976672535 /nfs/dbraw/zinc/67/25/35/976672535.db2.gz XSUFXLFCIPUNBN-LSDHHAIUSA-N 2 0 291.439 1.664 10 0 CDAERP CCc1ccc(C[NH2+][C@H](C)CNC(=O)CC[NH+](C)C)cc1 ZINC001403052316 976684065 /nfs/dbraw/zinc/68/40/65/976684065.db2.gz SQUCXIQGWWSRMY-CQSZACIVSA-N 2 0 291.439 1.795 10 0 CDAERP CC[N@H+](CC1CC1)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001381264161 976734069 /nfs/dbraw/zinc/73/40/69/976734069.db2.gz YWLUZTDARRGWDE-UHFFFAOYSA-N 2 0 295.471 1.909 10 0 CDAERP C[C@@H]([NH2+]CCF)[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001381443303 976826420 /nfs/dbraw/zinc/82/64/20/976826420.db2.gz DXKRWTGZEAUMOP-OLZOCXBDSA-N 2 0 273.396 1.315 10 0 CDAERP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCC2CC2)CC1(C)C)[NH+](C)C ZINC001403375363 976919267 /nfs/dbraw/zinc/91/92/67/976919267.db2.gz FABQSTKQSMNGLD-LSDHHAIUSA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@H](C)C[NH+]1CC([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001381821458 977039258 /nfs/dbraw/zinc/03/92/58/977039258.db2.gz SNJHIBWQQBWHBP-KBPBESRZSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]CC1CC(C)C1 ZINC001391960090 977164334 /nfs/dbraw/zinc/16/43/34/977164334.db2.gz KQDQNCRBUXBLTR-SLTAFYQDSA-N 2 0 281.444 1.470 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001382313553 977245526 /nfs/dbraw/zinc/24/55/26/977245526.db2.gz NOGZIXBUAFTOCQ-GJZGRUSLSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@H](F)C[N@H+](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001392692337 977550952 /nfs/dbraw/zinc/55/09/52/977550952.db2.gz ZPUZUVRQZXBXJQ-JSGCOSHPSA-N 2 0 287.423 1.513 10 0 CDAERP C[C@@H](C[N@H+](C)CC1CC1)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001392693838 977554276 /nfs/dbraw/zinc/55/42/76/977554276.db2.gz LWZPGYYLFXBEAS-YDHLFZDLSA-N 2 0 281.444 1.563 10 0 CDAERP CN(CCC[N@H+](C)Cc1ccccc1)C(=O)CC[NH+](C)C ZINC001393629912 977872765 /nfs/dbraw/zinc/87/27/65/977872765.db2.gz JVDQYJUFKLBSST-UHFFFAOYSA-N 2 0 291.439 1.919 10 0 CDAERP C[C@@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]CCC1CC1 ZINC001393824973 977928391 /nfs/dbraw/zinc/92/83/91/977928391.db2.gz WTAYBFGLMMELQU-ZDUSSCGKSA-N 2 0 279.428 1.367 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[NH+](CC2CCC2)CC1(C)C ZINC001394310688 978130617 /nfs/dbraw/zinc/13/06/17/978130617.db2.gz QXHKWRDHZWCPDX-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCF)C[C@@H]2C1 ZINC001394351050 978138110 /nfs/dbraw/zinc/13/81/10/978138110.db2.gz QJDMONYWIOCVAO-SOUVJXGZSA-N 2 0 299.434 1.514 10 0 CDAERP C[C@H](CCC[NH2+]CC1CCC1)NC(=O)C[NH+]1CCCC1 ZINC001676018102 1174173831 /nfs/dbraw/zinc/17/38/31/1174173831.db2.gz FYMCPFMXYUKOLT-CQSZACIVSA-N 2 0 281.444 1.757 10 0 CDAERP CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001676346308 1174211467 /nfs/dbraw/zinc/21/14/67/1174211467.db2.gz DDOXJYGIVGCFBT-ZIAGYGMSSA-N 2 0 269.433 1.706 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCCF)[C@@H]1C ZINC001676686984 1174255898 /nfs/dbraw/zinc/25/58/98/1174255898.db2.gz VPZHMOTZBRTPBN-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP CC(C)C[N@H+](C)[C@@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001570753022 1170270919 /nfs/dbraw/zinc/27/09/19/1170270919.db2.gz AQXRSFDIXGLCLV-ZDUSSCGKSA-N 2 0 257.422 1.419 10 0 CDAERP CCCC[C@@H](C[NH2+]CC)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001570808034 1170285594 /nfs/dbraw/zinc/28/55/94/1170285594.db2.gz XZCMRAIWFLQUHS-STQMWFEESA-N 2 0 255.406 1.365 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCN(CCNC(=O)C2CC2)C1 ZINC001657472125 1171965782 /nfs/dbraw/zinc/96/57/82/1171965782.db2.gz SRPADIFXLOZIAU-CYBMUJFWSA-N 2 0 267.417 1.176 10 0 CDAERP C[NH+](C)CC1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000252446300 282081305 /nfs/dbraw/zinc/08/13/05/282081305.db2.gz QWZWEQFLUUUAAI-XHSDSOJGSA-N 2 0 293.455 1.707 10 0 CDAERP CCN(C(=O)C[NH+](CC)C1CC1)[C@H]1CC[N@H+](CC)C1 ZINC000617926653 342479358 /nfs/dbraw/zinc/47/93/58/342479358.db2.gz GFIWVMWIORQANU-AWEZNQCLSA-N 2 0 267.417 1.413 10 0 CDAERP CC1CC[NH+](CCCNC(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000618547605 349478339 /nfs/dbraw/zinc/47/83/39/349478339.db2.gz ZLEVDVYMPYHLNA-HNNXBMFYSA-N 2 0 296.459 1.502 10 0 CDAERP C[NH2+]Cc1ccccc1C[NH2+][C@@H](COC)C1CCOCC1 ZINC000650757190 398181028 /nfs/dbraw/zinc/18/10/28/398181028.db2.gz QVTSRVCVXGKHAH-KRWDZBQOSA-N 2 0 292.423 1.937 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C12CC(C1)C2 ZINC000625028912 342027429 /nfs/dbraw/zinc/02/74/29/342027429.db2.gz ZWCAYTOLBFXSLK-CKDBGZEDSA-N 2 0 293.455 1.661 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCOC2CCOCC2)C[C@@H]1C ZINC000625214527 342041820 /nfs/dbraw/zinc/04/18/20/342041820.db2.gz ULAMHWIDWMRZNU-LSDHHAIUSA-N 2 0 284.444 1.987 10 0 CDAERP [NH3+]CCN1CC[NH2+][C@H](c2cccc3cnccc32)C1 ZINC000616604120 361820431 /nfs/dbraw/zinc/82/04/31/361820431.db2.gz UYZXZXLNKSPSDE-HNNXBMFYSA-N 2 0 256.353 1.140 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@]1(C)CCCC[NH2+]1 ZINC000133395500 342070140 /nfs/dbraw/zinc/07/01/40/342070140.db2.gz LTXXFOUOIVIJOD-AWEZNQCLSA-N 2 0 255.406 1.319 10 0 CDAERP C[NH+]1CCC(CCNC(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000590859928 342601895 /nfs/dbraw/zinc/60/18/95/342601895.db2.gz VYEALAFRLXCAGA-CQSZACIVSA-N 2 0 282.432 1.112 10 0 CDAERP [NH3+]CCN1CC[NH2+][C@@H](c2cccc3ncccc32)C1 ZINC000616603913 361825816 /nfs/dbraw/zinc/82/58/16/361825816.db2.gz SEKKHVXUTWWILU-OAHLLOKOSA-N 2 0 256.353 1.140 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC000618904158 349549678 /nfs/dbraw/zinc/54/96/78/349549678.db2.gz RGUBMPQBJVSWGI-KGLIPLIRSA-N 2 0 282.432 1.112 10 0 CDAERP [NH3+]CCN1CC[NH2+]C[C@H]1c1ccc2cnccc2c1 ZINC000616636438 342121817 /nfs/dbraw/zinc/12/18/17/342121817.db2.gz SHMVATMFGDAVEH-HNNXBMFYSA-N 2 0 256.353 1.140 10 0 CDAERP CN1CCO[C@@H](CSCCC[NH+]2CCCC2)C1 ZINC000592359005 342688743 /nfs/dbraw/zinc/68/87/43/342688743.db2.gz KCQWOZQWHQLCTN-CYBMUJFWSA-N 2 0 258.431 1.536 10 0 CDAERP O=C1CC[NH2+]CC12CC[NH+](Cc1ccccc1)CC2 ZINC000096950814 185139568 /nfs/dbraw/zinc/13/95/68/185139568.db2.gz NETXEMJJQJLVPD-UHFFFAOYSA-N 2 0 258.365 1.831 10 0 CDAERP CC(C)OC(=O)CC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000593728649 342830050 /nfs/dbraw/zinc/83/00/50/342830050.db2.gz BETUIXUNPSVZAE-KFWWJZLASA-N 2 0 298.427 1.689 10 0 CDAERP COc1ccccc1/C=C/C[NH2+]CCOCCC[NH3+] ZINC000629397867 361928528 /nfs/dbraw/zinc/92/85/28/361928528.db2.gz FCMITVAWPXXCQM-QPJJXVBHSA-N 2 0 264.369 1.663 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1nccn1Cc1ccccc1 ZINC000629398562 361931963 /nfs/dbraw/zinc/93/19/63/361931963.db2.gz FMQTUTJCKAYTLO-UHFFFAOYSA-N 2 0 288.395 1.386 10 0 CDAERP Cn1cc(C[NH2+]CCOCCC[NH3+])c(C2CCCCC2)n1 ZINC000629401585 361940250 /nfs/dbraw/zinc/94/02/50/361940250.db2.gz SZLDGLLBNZQIFW-UHFFFAOYSA-N 2 0 294.443 1.923 10 0 CDAERP C[NH2+]CCc1ccccc1C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000228501807 539053492 /nfs/dbraw/zinc/05/34/92/539053492.db2.gz BWLZLSADFFREJR-AWEZNQCLSA-N 2 0 275.396 1.273 10 0 CDAERP C[C@H]([NH3+])CNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000669485079 539060505 /nfs/dbraw/zinc/06/05/05/539060505.db2.gz DPRZRGFBIGXPSX-JTQLQIEISA-N 2 0 282.363 1.034 10 0 CDAERP [NH3+][C@H](C(=O)N1CC[C@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000334244205 539063394 /nfs/dbraw/zinc/06/33/94/539063394.db2.gz ZGWDEFWDNKMRIW-GOEBONIOSA-N 2 0 273.380 1.289 10 0 CDAERP COC(=O)C(C)(C)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000594933031 342976026 /nfs/dbraw/zinc/97/60/26/342976026.db2.gz XVIXZMRZOZTQPP-UHFFFAOYSA-N 2 0 288.351 1.556 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000594935009 342976436 /nfs/dbraw/zinc/97/64/36/342976436.db2.gz MFRKYVSUPCYRJR-RAIGVLPGSA-N 2 0 252.358 1.036 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000594916919 342985494 /nfs/dbraw/zinc/98/54/94/342985494.db2.gz CXMCRKQBTGEWAG-XJFOESAGSA-N 2 0 268.401 1.504 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000594916917 342985518 /nfs/dbraw/zinc/98/55/18/342985518.db2.gz CXMCRKQBTGEWAG-IGQOVBAYSA-N 2 0 268.401 1.504 10 0 CDAERP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000594918186 342985936 /nfs/dbraw/zinc/98/59/36/342985936.db2.gz MNZJHJUDWOIUFG-HZSPNIEDSA-N 2 0 268.401 1.650 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000566206317 370646015 /nfs/dbraw/zinc/64/60/15/370646015.db2.gz XMAYKAHZMCADIA-CABCVRRESA-N 2 0 281.444 1.838 10 0 CDAERP CSC[C@@H]1CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000595893618 343182881 /nfs/dbraw/zinc/18/28/81/343182881.db2.gz REAQEENDPBPYGA-NWDGAFQWSA-N 2 0 256.415 1.335 10 0 CDAERP Nc1nc(NC[C@@H]2CC[N@@H+](C3CC3)C2)c2c([nH+]1)CCCC2 ZINC000645117852 362126386 /nfs/dbraw/zinc/12/63/86/362126386.db2.gz HVFZWNSAJOMWFP-NSHDSACASA-N 2 0 287.411 1.086 10 0 CDAERP OC[C@@H]1C[NH2+]C[C@H]1C1CC[NH+](Cc2ccncc2F)CC1 ZINC000169789004 362135495 /nfs/dbraw/zinc/13/54/95/362135495.db2.gz AFWWDGPCDONBPO-GJZGRUSLSA-N 2 0 293.386 1.261 10 0 CDAERP Cc1cc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)n(C)n1 ZINC000169789115 362135895 /nfs/dbraw/zinc/13/58/95/362135895.db2.gz BAPPFUYNOCDJJJ-AWEZNQCLSA-N 2 0 262.401 1.550 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1CCCN1CC(F)F ZINC000629519389 362138381 /nfs/dbraw/zinc/13/83/81/362138381.db2.gz PXRJSGHTGSGXCM-VXGBXAGGSA-N 2 0 279.375 1.059 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H]1CCc2cc(F)c(OC)cc21 ZINC000629530750 362160031 /nfs/dbraw/zinc/16/00/31/362160031.db2.gz QDFJFPIOKFLRRO-AWEZNQCLSA-N 2 0 282.359 1.647 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)[C@@H](C)CC ZINC000354938608 365789709 /nfs/dbraw/zinc/78/97/09/365789709.db2.gz QDPILFHJYNSMQS-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)CSC1CC1 ZINC000597941369 343673732 /nfs/dbraw/zinc/67/37/32/343673732.db2.gz ABXKZPIRVNIMIV-LBPRGKRZSA-N 2 0 287.473 1.270 10 0 CDAERP C[N@@H+]1CC[C@H](NC(=O)N2CC[NH2+]CC2)[C@H]1c1ccccc1 ZINC000417931776 529805685 /nfs/dbraw/zinc/80/56/85/529805685.db2.gz CMVOYNBEWZCBFT-LSDHHAIUSA-N 2 0 288.395 1.047 10 0 CDAERP CC[NH+](CC)CCSCC(=O)N(C)CC1C[NH+](C)C1 ZINC000598162031 343721738 /nfs/dbraw/zinc/72/17/38/343721738.db2.gz GVGUBVDSVRXBOC-UHFFFAOYSA-N 2 0 287.473 1.081 10 0 CDAERP CN(C)c1cc[nH+]cc1C(=O)NCCC1CC[NH+](C)CC1 ZINC000183488227 282307776 /nfs/dbraw/zinc/30/77/76/282307776.db2.gz VRGAHHWHUHIGHQ-UHFFFAOYSA-N 2 0 290.411 1.609 10 0 CDAERP C[N@H+](CCNC(=O)C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC000071378743 344877072 /nfs/dbraw/zinc/87/70/72/344877072.db2.gz QCVUPMMOUNJJLF-ZDUSSCGKSA-N 2 0 267.417 1.367 10 0 CDAERP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@H]1CCC[NH+](C)C1 ZINC000606650539 345046175 /nfs/dbraw/zinc/04/61/75/345046175.db2.gz QMMWCYGIEFZUHD-KBPBESRZSA-N 2 0 282.432 1.062 10 0 CDAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000263286203 362568136 /nfs/dbraw/zinc/56/81/36/362568136.db2.gz VBDOALHQAYFCBQ-FXUDXRNXSA-N 2 0 260.381 1.493 10 0 CDAERP O[C@@H]1C[NH2+]C[C@H]1CNCc1c(Cl)oc2ccccc21 ZINC000263283874 362566348 /nfs/dbraw/zinc/56/63/48/362566348.db2.gz URTHVXGNZCJVKO-BXKDBHETSA-N 2 0 280.755 1.756 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000566206318 370646455 /nfs/dbraw/zinc/64/64/55/370646455.db2.gz XMAYKAHZMCADIA-GJZGRUSLSA-N 2 0 281.444 1.838 10 0 CDAERP CC(C)[N@H+](C)CC1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000111269912 345508668 /nfs/dbraw/zinc/50/86/68/345508668.db2.gz HPENWEPJOJPYGZ-UKRRQHHQSA-N 2 0 281.444 1.421 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC000079515426 362658223 /nfs/dbraw/zinc/65/82/23/362658223.db2.gz MLNATGTZWRPRSJ-AWEZNQCLSA-N 2 0 253.390 1.118 10 0 CDAERP CN(CCC[NH+](C)C)CCNC(=O)[C@H]1CCCCS1 ZINC000617764664 345960906 /nfs/dbraw/zinc/96/09/06/345960906.db2.gz BKUBCLNVIDXCMQ-CYBMUJFWSA-N 2 0 287.473 1.272 10 0 CDAERP C[C@H](CN1CCCC1=O)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623364159 346092083 /nfs/dbraw/zinc/09/20/83/346092083.db2.gz WGBKOTWLEAEQBD-CHWSQXEVSA-N 2 0 267.417 1.460 10 0 CDAERP CC1(C)CC(NC(=O)[C@H]2CCCC[C@H]2[NH3+])CC(C)(C)[NH2+]1 ZINC000085370879 179041070 /nfs/dbraw/zinc/04/10/70/179041070.db2.gz DWYZMDGODWPZKK-QWHCGFSZSA-N 2 0 281.444 1.929 10 0 CDAERP C[C@H](Cc1ccoc1)[NH2+][C@H]1CCCN(CCCO)C1 ZINC000449396218 362691605 /nfs/dbraw/zinc/69/16/05/362691605.db2.gz KSYBHIZFJFMIHA-HIFRSBDPSA-N 2 0 266.385 1.647 10 0 CDAERP [NH3+][C@H]1CCC[C@@H]1C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000085375093 179043274 /nfs/dbraw/zinc/04/32/74/179043274.db2.gz LRGSXXKIQAFLHI-IHRRRGAJSA-N 2 0 265.401 1.201 10 0 CDAERP C[N@@H+]1CCC[C@@H](n2c3c(nc2C(F)(F)F)C[NH2+]CC3)C1 ZINC000085572163 179097117 /nfs/dbraw/zinc/09/71/17/179097117.db2.gz FAWJUFGTAMHAMO-SECBINFHSA-N 2 0 288.317 1.814 10 0 CDAERP C[C@H](CC[NH+](C)C)n1c2c(nc1C1CC1)C[NH2+]CC2 ZINC000085573474 179098326 /nfs/dbraw/zinc/09/83/26/179098326.db2.gz XRVVPVWQYBJTQI-LLVKDONJSA-N 2 0 262.401 1.919 10 0 CDAERP CC[C@@H](C)[C@H]1C[N@H+](CCCn2ccnc2)CCC[NH2+]1 ZINC000085608962 179101814 /nfs/dbraw/zinc/10/18/14/179101814.db2.gz KNAQINLDXJIRHY-HUUCEWRRSA-N 2 0 264.417 1.983 10 0 CDAERP CCSCC[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000611191072 346685602 /nfs/dbraw/zinc/68/56/02/346685602.db2.gz GNAJPGXOURLGPR-HNNXBMFYSA-N 2 0 285.501 1.840 10 0 CDAERP CC(C)C[C@H]1CN([C@@H]2C[NH+]3CCC2CC3)CC[NH2+]1 ZINC000086124920 179235514 /nfs/dbraw/zinc/23/55/14/179235514.db2.gz ZWASIHJTGCVMPT-LSDHHAIUSA-N 2 0 251.418 1.401 10 0 CDAERP CC[N@@H+]1CCC[C@H](N2CC[NH2+][C@H](C(C)(C)C)C2)C1 ZINC000086143106 179237331 /nfs/dbraw/zinc/23/73/31/179237331.db2.gz JCYUZAAIWQOYIH-KBPBESRZSA-N 2 0 253.434 1.791 10 0 CDAERP CC[C@@H]1CN[C@@H](C)C[N@@H+]1CC1CC[NH+](CC)CC1 ZINC000086173687 179244913 /nfs/dbraw/zinc/24/49/13/179244913.db2.gz KFNUGFDBISIHKJ-DZGCQCFKSA-N 2 0 253.434 1.791 10 0 CDAERP CC[C@@H]1C[NH2+]C(C)(C)CN1C[C@@H]1CC[N@H+](CC)C1 ZINC000086223068 179250546 /nfs/dbraw/zinc/25/05/46/179250546.db2.gz JTPLVOVHKKMNQA-ZIAGYGMSSA-N 2 0 253.434 1.791 10 0 CDAERP CC[N@@H+]1CC[C@H](CN2CC3(CCCC3)[NH2+]C[C@@H]2C)C1 ZINC000086223048 179250754 /nfs/dbraw/zinc/25/07/54/179250754.db2.gz QWRJDOCGIGQBAF-GJZGRUSLSA-N 2 0 265.445 1.935 10 0 CDAERP CC[C@H]1C[NH2+][C@@](C)(CC)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223127 179251357 /nfs/dbraw/zinc/25/13/57/179251357.db2.gz KUBRSLNCMZHRGI-ILXRZTDVSA-N 2 0 253.434 1.791 10 0 CDAERP CC(C)C[C@H]1CN(C[C@@H]2CC[N@H+](C)C2)[C@@H](C)C[NH2+]1 ZINC000086223141 179252148 /nfs/dbraw/zinc/25/21/48/179252148.db2.gz VJOLYGGPFIIVDT-ZNMIVQPWSA-N 2 0 253.434 1.647 10 0 CDAERP CC(C)[C@@H]1C[NH2+]C(C)(C)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086182577 179247699 /nfs/dbraw/zinc/24/76/99/179247699.db2.gz UCNRXFMEJRZORR-LSDHHAIUSA-N 2 0 265.445 1.789 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623491235 347602842 /nfs/dbraw/zinc/60/28/42/347602842.db2.gz KJOCFJXJMHZSTO-OAHLLOKOSA-N 3 0 285.476 1.807 10 0 CDAERP CO[C@@]1(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CCOC1 ZINC000623493125 347603254 /nfs/dbraw/zinc/60/32/54/347603254.db2.gz WLXIIBOQACVRQT-TZMCWYRMSA-N 2 0 256.390 1.254 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@H](CO)C2CCOCC2)CC1(C)C ZINC000623489214 347601087 /nfs/dbraw/zinc/60/10/87/347601087.db2.gz VFKTZVNECFHWAB-UONOGXRCSA-N 2 0 270.417 1.236 10 0 CDAERP CCCN1C[C@H](C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1=O ZINC000623552507 347628601 /nfs/dbraw/zinc/62/86/01/347628601.db2.gz ILMWBGCCNNLIHT-KBPBESRZSA-N 2 0 281.444 1.707 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CC2(CC(N)=O)CC2)CC1(C)C ZINC000623552656 347628707 /nfs/dbraw/zinc/62/87/07/347628707.db2.gz OUQQEHOHQJYBEL-LLVKDONJSA-N 2 0 253.390 1.104 10 0 CDAERP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC/C=C\C[NH3+] ZINC000641860090 365945821 /nfs/dbraw/zinc/94/58/21/365945821.db2.gz FKPSEEOCMMHTHF-ZFDPJTLLSA-N 2 0 268.405 1.017 10 0 CDAERP O=C(c1ccc2c(c1)C[NH2+]C2)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000336059587 362850339 /nfs/dbraw/zinc/85/03/39/362850339.db2.gz NHTOAJXPTCOQPN-HNNXBMFYSA-N 2 0 271.364 1.256 10 0 CDAERP C[C@H](Cc1c[nH]cn1)C(=O)N1CC[C@H](N2CCC2)[C@@H](F)C1 ZINC000614102967 348001909 /nfs/dbraw/zinc/00/19/09/348001909.db2.gz JWKPPVJLHTYINZ-XBFCOCLRSA-N 2 0 294.374 1.233 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2(CCO)CC2)[C@@H]2CCC[C@H]21 ZINC000367614474 290215733 /nfs/dbraw/zinc/21/57/33/290215733.db2.gz IGCSAQWFOJHNKK-MELADBBJSA-N 2 0 252.402 1.611 10 0 CDAERP Cc1csc(CC[NH2+]CCCOC2CC[NH2+]CC2)n1 ZINC000104388460 185988778 /nfs/dbraw/zinc/98/87/78/185988778.db2.gz MOPUUWILEFRNFY-UHFFFAOYSA-N 2 0 283.441 1.742 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@H]1CCN[C@@H](c2ccccc2)C1 ZINC000629537143 362952245 /nfs/dbraw/zinc/95/22/45/362952245.db2.gz IEORWPFTPSSFAK-JKSUJKDBSA-N 2 0 277.412 1.435 10 0 CDAERP C[C@@H]([NH2+]CCOCCC[NH3+])c1ccc(Cl)cn1 ZINC000629538880 362955465 /nfs/dbraw/zinc/95/54/65/362955465.db2.gz OEPCYXVOLAOUPJ-SNVBAGLBSA-N 2 0 257.765 1.751 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000629535801 362961209 /nfs/dbraw/zinc/96/12/09/362961209.db2.gz FIVGRHZDPYCATN-INIZCTEOSA-N 2 0 262.397 1.963 10 0 CDAERP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]CCOCCC[NH3+])C1 ZINC000629540760 362964247 /nfs/dbraw/zinc/96/42/47/362964247.db2.gz XKOAILGGATWSIW-KGLIPLIRSA-N 2 0 280.416 1.401 10 0 CDAERP C(C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)OC1CCOCC1 ZINC000629547572 362975347 /nfs/dbraw/zinc/97/53/47/362975347.db2.gz UNCWLAOCPNHFTA-INIZCTEOSA-N 2 0 296.455 1.894 10 0 CDAERP C[C@@H]1CC[C@@H](C)[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000414704278 366000624 /nfs/dbraw/zinc/00/06/24/366000624.db2.gz MTLJZVBIYBUDEV-MGPQQGTHSA-N 2 0 267.417 1.304 10 0 CDAERP CC(C)[C@H](O)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000253024990 535158488 /nfs/dbraw/zinc/15/84/88/535158488.db2.gz MRSNPDXFBUBXAW-BYNSBNAKSA-N 2 0 254.418 1.904 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)C[C@H](OC)c1ccccc1 ZINC000629570649 363017548 /nfs/dbraw/zinc/01/75/48/363017548.db2.gz ALKFIIQYOMJQCZ-HNNXBMFYSA-N 2 0 266.385 1.542 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1cnc2ccccc2c1 ZINC000629572011 363027433 /nfs/dbraw/zinc/02/74/33/363027433.db2.gz LYCSXHFIRTYEIP-UHFFFAOYSA-N 2 0 273.380 1.903 10 0 CDAERP [NH3+]C[C@@H]1CCCN(C[C@H]2CC[NH2+]C2)[C@@H]1C(F)(F)F ZINC000629582253 363046994 /nfs/dbraw/zinc/04/69/94/363046994.db2.gz RBZRISMBWHNCAH-DCAQKATOSA-N 2 0 265.323 1.198 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000624321743 351546904 /nfs/dbraw/zinc/54/69/04/351546904.db2.gz ANIPXLWAOQDJMM-STQMWFEESA-N 2 0 282.432 1.253 10 0 CDAERP CCCCNC(=O)CC[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585229 363051889 /nfs/dbraw/zinc/05/18/89/363051889.db2.gz NVRFRAUCSUQUHN-GASCZTMLSA-N 2 0 267.417 1.224 10 0 CDAERP CCCCOCC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000629590576 363078753 /nfs/dbraw/zinc/07/87/53/363078753.db2.gz UBKHIZZKDKRTIO-MRXNPFEDSA-N 2 0 284.444 1.894 10 0 CDAERP [NH3+][C@@H]1CC[C@@H]2CN(c3cc(N4CCCC4)ncn3)C[C@@H]12 ZINC000333924619 363225917 /nfs/dbraw/zinc/22/59/17/363225917.db2.gz TUZRVXVOKPTJMU-JHJVBQTASA-N 2 0 273.384 1.250 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000414748552 366101910 /nfs/dbraw/zinc/10/19/10/366101910.db2.gz WSUKWTMSNILPIG-CABCVRRESA-N 2 0 283.460 1.545 10 0 CDAERP CO[C@]1(CO)CCC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000401727343 482711394 /nfs/dbraw/zinc/71/13/94/482711394.db2.gz RLDFLMHWIFEMJA-HUUCEWRRSA-N 2 0 270.417 1.334 10 0 CDAERP C[N@@H+](Cc1ccccc1)C[C@@H](O)CN[C@H]1CCC[NH+](C)C1 ZINC000644548172 366165994 /nfs/dbraw/zinc/16/59/94/366165994.db2.gz RUFDZHAKDXQVKF-IRXDYDNUSA-N 2 0 291.439 1.163 10 0 CDAERP C[NH2+]C1CCN(C(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000237073801 538270626 /nfs/dbraw/zinc/27/06/26/538270626.db2.gz KVEOIVGJAJHQIR-AWEZNQCLSA-N 2 0 261.369 1.287 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634764328 358499376 /nfs/dbraw/zinc/49/93/76/358499376.db2.gz QELMEVAHXFYECH-KBPBESRZSA-N 2 0 283.460 1.892 10 0 CDAERP CC1(C)C[NH2+]CC[C@@H](NC(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000634764297 358499631 /nfs/dbraw/zinc/49/96/31/358499631.db2.gz PLMYKBWFVGATJN-YNEHKIRRSA-N 2 0 267.417 1.398 10 0 CDAERP COC1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000211956701 356581680 /nfs/dbraw/zinc/58/16/80/356581680.db2.gz OOIWRRVMKSGVFL-UHFFFAOYSA-N 2 0 260.381 1.943 10 0 CDAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634768254 358511702 /nfs/dbraw/zinc/51/17/02/358511702.db2.gz CJSRYNIIICMDOB-YXWQFLTLSA-N 2 0 277.412 1.071 10 0 CDAERP CO[C@H]1CCC[C@H]([NH2+]CCCC[NH+]2CCN(C)CC2)C1 ZINC000684368883 482776542 /nfs/dbraw/zinc/77/65/42/482776542.db2.gz FUTFMWFEOQIVGK-HOTGVXAUSA-N 2 0 283.460 1.561 10 0 CDAERP C[NH+]1CCC(CC[NH2+]C[C@H](O)C[C@@](C)(O)C2CC2)CC1 ZINC000634703099 357373845 /nfs/dbraw/zinc/37/38/45/357373845.db2.gz PVFUOOHLBVSXRO-HZPDHXFCSA-N 2 0 284.444 1.220 10 0 CDAERP CN(C)[C@H](CNC1=[NH+]CCCN1)c1cccs1 ZINC000058405066 357401090 /nfs/dbraw/zinc/40/10/90/357401090.db2.gz NOJOGHKKKRSYLC-SNVBAGLBSA-N 2 0 252.387 1.290 10 0 CDAERP C[N@H+](CCCNC(=O)[C@H]1CC[C@H]([NH3+])C1)C1CCCCC1 ZINC000091545533 357718039 /nfs/dbraw/zinc/71/80/39/357718039.db2.gz XWFDUTVCLFLERM-KBPBESRZSA-N 2 0 281.444 1.885 10 0 CDAERP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](COC)OC)C1 ZINC000659982323 412660071 /nfs/dbraw/zinc/66/00/71/412660071.db2.gz KBNSVVXYLMDHEN-KGLIPLIRSA-N 2 0 258.406 1.312 10 0 CDAERP CC(C)[NH2+]CCC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000094459726 482789539 /nfs/dbraw/zinc/78/95/39/482789539.db2.gz XVTDMNJPIWPJHY-QWHCGFSZSA-N 2 0 253.390 1.070 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)C2 ZINC000634744028 358192346 /nfs/dbraw/zinc/19/23/46/358192346.db2.gz LWRAPMHSVWZJHI-HDEZJCGLSA-N 2 0 291.439 1.080 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NCCCC[NH+](C)C2CC2)C1 ZINC000521270826 358373331 /nfs/dbraw/zinc/37/33/31/358373331.db2.gz UXYVGJGNEINIHG-ZDUSSCGKSA-N 2 0 267.417 1.319 10 0 CDAERP Cc1cc(C[NH2+]CCCN2CCOCC2)cc(C)c1O ZINC000020305121 358408191 /nfs/dbraw/zinc/40/81/91/358408191.db2.gz RRJDQHXAWGUTDW-UHFFFAOYSA-N 2 0 278.396 1.821 10 0 CDAERP COC(C[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1)OC ZINC000195294848 358425586 /nfs/dbraw/zinc/42/55/86/358425586.db2.gz IHHBBVRGIHTYOR-OAHLLOKOSA-N 2 0 293.411 1.454 10 0 CDAERP C[NH+](C)CCN(C(=O)C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC000054308227 358712159 /nfs/dbraw/zinc/71/21/59/358712159.db2.gz ANNOIMGRWIIMJC-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)c1ccccc1CC[NH3+] ZINC000070542282 358966191 /nfs/dbraw/zinc/96/61/91/358966191.db2.gz FYPKOLDHPICMJV-UHFFFAOYSA-N 2 0 263.385 1.258 10 0 CDAERP [NH3+]CCC1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000070188287 358923130 /nfs/dbraw/zinc/92/31/30/358923130.db2.gz JANYSPZGEROLIK-UHFFFAOYSA-N 2 0 267.417 1.496 10 0 CDAERP CCCC(=O)N[C@@H]1CCCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000261927897 359092108 /nfs/dbraw/zinc/09/21/08/359092108.db2.gz CJIQUQSONUXJNA-UKRRQHHQSA-N 2 0 267.417 1.367 10 0 CDAERP C[C@@]1(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)CC[NH2+]C1 ZINC000261974125 359110071 /nfs/dbraw/zinc/11/00/71/359110071.db2.gz INNRAZJQONZZRI-HUUCEWRRSA-N 2 0 252.402 1.877 10 0 CDAERP c1cncc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)c1 ZINC000262029072 359124344 /nfs/dbraw/zinc/12/43/44/359124344.db2.gz XIJMTWLJQAUMSF-RRFJBIMHSA-N 2 0 261.369 1.328 10 0 CDAERP CCc1nc(CN[C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cs1 ZINC000262048405 359130373 /nfs/dbraw/zinc/13/03/73/359130373.db2.gz ZHZBUEMFUHHSQI-MGPQQGTHSA-N 2 0 295.452 1.952 10 0 CDAERP C[C@H]1CC2(CN1C(=O)c1ccc(C[NH3+])cc1)CC[NH2+]CC2 ZINC000335274589 359288067 /nfs/dbraw/zinc/28/80/67/359288067.db2.gz CULNTDDDVLWUAD-ZDUSSCGKSA-N 2 0 287.407 1.750 10 0 CDAERP Cc1nc(N)nc(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000309715083 359301454 /nfs/dbraw/zinc/30/14/54/359301454.db2.gz KLLRYEARYSHLRB-AWEZNQCLSA-N 2 0 298.394 1.696 10 0 CDAERP CC[C@@H](C)[C@H](C)[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000347600642 359489328 /nfs/dbraw/zinc/48/93/28/359489328.db2.gz AWZVQSDMKYUNPH-OLZOCXBDSA-N 2 0 281.444 1.754 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cnc(C)nc1 ZINC000347783596 359594682 /nfs/dbraw/zinc/59/46/82/359594682.db2.gz ZCCRKHSBKDMWOY-CQSZACIVSA-N 2 0 266.389 1.231 10 0 CDAERP C[C@@H]1C[C@@H](C)N(C(=O)COC2CCC([NH3+])CC2)C[C@H]1C[NH3+] ZINC000422536028 359641121 /nfs/dbraw/zinc/64/11/21/359641121.db2.gz DQWJVZUDHAEYBN-SFHDSZBYSA-N 2 0 297.443 1.105 10 0 CDAERP C[C@H]1C[C@H](NCCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000379644350 359635355 /nfs/dbraw/zinc/63/53/55/359635355.db2.gz CCNVCCKBKFVEPJ-GOEBONIOSA-N 2 0 261.413 1.978 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)[C@@H](O)Cc1ccccc1 ZINC000422993455 359705094 /nfs/dbraw/zinc/70/50/94/359705094.db2.gz FQDVBCBRKLPHCF-BPUTZDHNSA-N 2 0 280.412 1.322 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCCC(F)(F)C1 ZINC000422986228 359700300 /nfs/dbraw/zinc/70/03/00/359700300.db2.gz BNNOMDHBHXYVJA-WDEREUQCSA-N 2 0 250.333 1.908 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000335306119 359722252 /nfs/dbraw/zinc/72/22/52/359722252.db2.gz RDWGMFPFJKKQQJ-CHWSQXEVSA-N 2 0 282.432 1.382 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H](CO)c1ccccc1 ZINC000423003292 359733443 /nfs/dbraw/zinc/73/34/43/359733443.db2.gz HIIJEPKSUPWUSM-ARFHVFGLSA-N 2 0 262.397 1.870 10 0 CDAERP COc1cccc(CC[NH2+][C@H]2CC[NH2+]CC[C@H]2C)n1 ZINC000423007927 359737755 /nfs/dbraw/zinc/73/77/55/359737755.db2.gz RVTWJGSISKCMDN-OCCSQVGLSA-N 2 0 263.385 1.610 10 0 CDAERP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1C[NH2+]CCC1(F)F ZINC000423472994 359807700 /nfs/dbraw/zinc/80/77/00/359807700.db2.gz GIJACKPZLNMCJJ-UBHSHLNASA-N 2 0 283.366 1.532 10 0 CDAERP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CC2(O)CCC2)C1 ZINC000336736173 359809442 /nfs/dbraw/zinc/80/94/42/359809442.db2.gz YDPJVPLGUMQHOD-AWEZNQCLSA-N 2 0 252.402 1.565 10 0 CDAERP CC1(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000560551171 359824252 /nfs/dbraw/zinc/82/42/52/359824252.db2.gz VGERQVGCLWPOCD-UHFFFAOYSA-N 2 0 267.417 1.368 10 0 CDAERP CCC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001660752955 1172270133 /nfs/dbraw/zinc/27/01/33/1172270133.db2.gz KZWKBHNYXSLNSZ-ZDUSSCGKSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)C2([NH3+])CCCCC2)CC[N@@H+]1C ZINC000237584866 359945207 /nfs/dbraw/zinc/94/52/07/359945207.db2.gz VOEVVFRPITZTAG-CHWSQXEVSA-N 2 0 267.417 1.589 10 0 CDAERP C(C[C@H]1CCO1)C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000637869231 366657573 /nfs/dbraw/zinc/65/75/73/366657573.db2.gz JKXXSBJVKPTEHR-INIZCTEOSA-N 2 0 281.444 1.269 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000335344433 359985104 /nfs/dbraw/zinc/98/51/04/359985104.db2.gz IYWAKKLQPAPACN-TZMCWYRMSA-N 2 0 267.417 1.221 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc(Cn2ccnc2)cc1 ZINC000335390494 360144191 /nfs/dbraw/zinc/14/41/91/360144191.db2.gz OIYLQASABRYWLI-WFASDCNBSA-N 2 0 284.363 1.493 10 0 CDAERP CC1(C)C[NH2+]CC[C@H]1NC(=O)c1ccc(C[NH3+])cc1 ZINC000335497160 360267980 /nfs/dbraw/zinc/26/79/80/360267980.db2.gz WYTGFPULSAYAEJ-CYBMUJFWSA-N 2 0 261.369 1.263 10 0 CDAERP O=C(c1ccc2c[nH+]cn2c1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000335499851 360272249 /nfs/dbraw/zinc/27/22/49/360272249.db2.gz LPJVXTXKBVCRMT-MRXNPFEDSA-N 2 0 284.363 1.550 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000515653156 360529093 /nfs/dbraw/zinc/52/90/93/360529093.db2.gz WJANFWKYBRWMKO-OPQQBVKSSA-N 2 0 267.348 1.110 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@H]2CCSC2)CC1 ZINC000365875105 360501421 /nfs/dbraw/zinc/50/14/21/360501421.db2.gz FUKRLMJAXVVHJL-HZPDHXFCSA-N 2 0 297.512 1.841 10 0 CDAERP c1ccc(CN(CC23CC(C2)C[NH2+]3)[C@@H]2CCC[NH2+]C2)cc1 ZINC000634991210 360615982 /nfs/dbraw/zinc/61/59/82/360615982.db2.gz UQYZIUBQPZZRDW-LXPRWKDFSA-N 2 0 285.435 1.993 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000516330790 360594004 /nfs/dbraw/zinc/59/40/04/360594004.db2.gz LJGWQYVCHMAVAE-CHWSQXEVSA-N 2 0 290.411 1.648 10 0 CDAERP CC1CC[NH+](CCCNC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000626925533 360641990 /nfs/dbraw/zinc/64/19/90/360641990.db2.gz OFIIQSBPQVOSDY-HUUCEWRRSA-N 2 0 296.459 1.548 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000626934063 360652726 /nfs/dbraw/zinc/65/27/26/360652726.db2.gz ASNKDFGKBCXFOV-CFVMTHIKSA-N 2 0 296.459 1.547 10 0 CDAERP C[C@@H]1C[N@H+](Cc2cnn(Cc3ccccc3)c2)C[C@H]1C[NH3+] ZINC000634999750 360638141 /nfs/dbraw/zinc/63/81/41/360638141.db2.gz YQPWLXKITNHHCC-RHSMWYFYSA-N 2 0 284.407 1.958 10 0 CDAERP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000626947868 360686971 /nfs/dbraw/zinc/68/69/71/360686971.db2.gz ITXCPKHHLXNFGO-QKGCVVFFSA-N 2 0 296.459 1.402 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000626938812 360666224 /nfs/dbraw/zinc/66/62/24/360666224.db2.gz WWEHTSVNSSCVAI-XDQVBPFNSA-N 2 0 280.416 1.053 10 0 CDAERP CC(C)OCC[C@@H](O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429021153 360741562 /nfs/dbraw/zinc/74/15/62/360741562.db2.gz PLUAYJWQHPLOID-HUUCEWRRSA-N 2 0 270.417 1.190 10 0 CDAERP COC(=O)CC1([NH2+]CC[C@H]2CCC[N@@H+]2C)CCCC1 ZINC000338333754 360852503 /nfs/dbraw/zinc/85/25/03/360852503.db2.gz SDNUWYPAWGQLES-CYBMUJFWSA-N 2 0 268.401 1.936 10 0 CDAERP C[C@@H]([NH3+])c1ccc(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000335500146 296029797 /nfs/dbraw/zinc/02/97/97/296029797.db2.gz MWOFEZSFQYKLMU-CXAGYDPISA-N 2 0 287.407 1.922 10 0 CDAERP CCOCC[N@@H+]1CCN(C(=O)CC[C@H](C)[NH3+])C[C@@H]1CC ZINC000248863924 364310572 /nfs/dbraw/zinc/31/05/72/364310572.db2.gz MQNKOHQPJKSEGB-KBPBESRZSA-N 2 0 285.432 1.073 10 0 CDAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCO1 ZINC000630019479 364432706 /nfs/dbraw/zinc/43/27/06/364432706.db2.gz BBHMBQLXFDJRDO-OAHLLOKOSA-N 2 0 297.443 1.040 10 0 CDAERP C[NH+](C)C[C@@H]1CCCCN1C(=O)c1ccc(C[NH3+])cc1 ZINC000186460358 364583225 /nfs/dbraw/zinc/58/32/25/364583225.db2.gz YXQSHCPJZFYMSU-HNNXBMFYSA-N 2 0 275.396 1.702 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]CCNC(=O)c2ccccc2)CC[N@@H+]1C ZINC000162507054 364621970 /nfs/dbraw/zinc/62/19/70/364621970.db2.gz PVKSDZRLGCYVDK-ZFWWWQNUSA-N 2 0 275.396 1.489 10 0 CDAERP O=C(NC1CC1)c1ccc(CN2CCC3(CC[NH2+]3)CC2)cc1 ZINC000643427496 364814539 /nfs/dbraw/zinc/81/45/39/364814539.db2.gz REWUKFKVJVGVQT-UHFFFAOYSA-N 2 0 299.418 1.907 10 0 CDAERP CC(C)CCC[C@@H](C)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000566725118 370797013 /nfs/dbraw/zinc/79/70/13/370797013.db2.gz QMWOLDOOFTXFEI-HZPDHXFCSA-N 2 0 285.476 1.399 10 0 CDAERP C[N@H+](CCN1CC[NH2+]CC1)C[C@H]1CCC(F)(F)C1 ZINC000305926280 365500828 /nfs/dbraw/zinc/50/08/28/365500828.db2.gz CPZQYPSKPAJGRS-LBPRGKRZSA-N 2 0 261.360 1.259 10 0 CDAERP C[C@@H]1C[C@@H](C[N@@H+]2CCSC[C@H]2CCO)CC[NH2+]1 ZINC000414754210 241368952 /nfs/dbraw/zinc/36/89/52/241368952.db2.gz NPBFKVUKYSRCEB-FRRDWIJNSA-N 2 0 258.431 1.174 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000626987200 367152392 /nfs/dbraw/zinc/15/23/92/367152392.db2.gz AABWGWZWSAKGTF-HIFRSBDPSA-N 2 0 296.459 1.548 10 0 CDAERP Cn1cncc1CCC[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000566863609 370830120 /nfs/dbraw/zinc/83/01/20/370830120.db2.gz DDYQHLKQNJUMDP-CQSZACIVSA-N 2 0 281.425 1.561 10 0 CDAERP C[C@H](C[C@H]1COCCN1)[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000516921260 367212164 /nfs/dbraw/zinc/21/21/64/367212164.db2.gz YIYZBZWEDZHEIR-OLZOCXBDSA-N 2 0 292.427 1.156 10 0 CDAERP C[C@H](NC(=O)N[C@@H]1CC[NH2+][C@H]1C)C(C)(C)C[NH+](C)C ZINC000626997022 367217921 /nfs/dbraw/zinc/21/79/21/367217921.db2.gz LQFYFAARUKSWSW-SDDRHHMPSA-N 2 0 270.421 1.012 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000417031561 242279809 /nfs/dbraw/zinc/27/98/09/242279809.db2.gz DTHJSNGUSGPXAM-IHRRRGAJSA-N 2 0 284.448 1.676 10 0 CDAERP C[C@H]([NH2+][C@H]1CN(C)C[C@@H]1C)c1ccc(NC(N)=O)cc1 ZINC000358388977 367652015 /nfs/dbraw/zinc/65/20/15/367652015.db2.gz ADUZJIBAGAZUCP-MJVIPROJSA-N 2 0 276.384 1.778 10 0 CDAERP C[C@H]1CC[C@H](NC(=O)N(CCC[NH3+])CC2CCCC2)C[NH2+]1 ZINC000627208665 367705944 /nfs/dbraw/zinc/70/59/44/367705944.db2.gz BJMSZSIQRRFUQL-ZFWWWQNUSA-N 2 0 296.459 1.678 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C[NH2+]1 ZINC000627198143 367687869 /nfs/dbraw/zinc/68/78/69/367687869.db2.gz RTRRMKMKYLPFEI-ILXRZTDVSA-N 2 0 294.443 1.397 10 0 CDAERP COC(=O)CC[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000282131302 367740421 /nfs/dbraw/zinc/74/04/21/367740421.db2.gz RIUJHEZWZRDENO-CYBMUJFWSA-N 2 0 291.395 1.962 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000627240941 367807394 /nfs/dbraw/zinc/80/73/94/367807394.db2.gz FJNIHYNMKORXFK-DZGCQCFKSA-N 2 0 294.443 1.397 10 0 CDAERP C[N@H+](CCCNC(=O)C1=CC[C@@H]([NH3+])C1)Cc1ccccc1 ZINC000638052990 367850956 /nfs/dbraw/zinc/85/09/56/367850956.db2.gz CZOJNINIZVGWFB-MRXNPFEDSA-N 2 0 287.407 1.672 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CCC1C[NH2+]C1 ZINC000638056566 367879839 /nfs/dbraw/zinc/87/98/39/367879839.db2.gz MWALUEULWOKVNP-CYBMUJFWSA-N 2 0 267.417 1.367 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000627245359 367894126 /nfs/dbraw/zinc/89/41/26/367894126.db2.gz FSZWUBYBPQAGPV-VNHYZAJKSA-N 2 0 294.443 1.253 10 0 CDAERP [NH3+][C@@H]1CC=C(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000638071551 368030368 /nfs/dbraw/zinc/03/03/68/368030368.db2.gz KAUQVQUQSBMLLZ-SJORKVTESA-N 2 0 299.418 1.815 10 0 CDAERP [NH3+][C@@H]1CC=C(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000638071549 368031627 /nfs/dbraw/zinc/03/16/27/368031627.db2.gz KAUQVQUQSBMLLZ-IAGOWNOFSA-N 2 0 299.418 1.815 10 0 CDAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCC1([NH3+])CCCCCC1 ZINC000418282008 242890547 /nfs/dbraw/zinc/89/05/47/242890547.db2.gz GGHFUCSBWXWQCW-STQMWFEESA-N 2 0 282.432 1.335 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000538316065 368266294 /nfs/dbraw/zinc/26/62/94/368266294.db2.gz PRQRBSWQIHKXPU-OAHLLOKOSA-N 2 0 281.444 1.804 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418424246 243059353 /nfs/dbraw/zinc/05/93/53/243059353.db2.gz GPHTYJJPYIIUDF-OAHLLOKOSA-N 2 0 292.427 1.670 10 0 CDAERP C[C@H](CCC[NH3+])NC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418449119 243090527 /nfs/dbraw/zinc/09/05/27/243090527.db2.gz JWTIAHIRDXVTNZ-YPMHNXCESA-N 2 0 264.373 1.113 10 0 CDAERP CC(C)CC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000638115276 368475900 /nfs/dbraw/zinc/47/59/00/368475900.db2.gz GJQGSAXERKEXBF-IHRRRGAJSA-N 2 0 267.417 1.445 10 0 CDAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000418596821 243256801 /nfs/dbraw/zinc/25/68/01/243256801.db2.gz PDDJGYYECJRMCI-DZGCQCFKSA-N 2 0 296.459 1.358 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000418603947 243265546 /nfs/dbraw/zinc/26/55/46/243265546.db2.gz XDNYVULHAYHOAK-KGLIPLIRSA-N 2 0 282.432 1.112 10 0 CDAERP CO[C@@H]1CN(Cc2cccc(F)c2)[C@](C)(C[NH3+])C1 ZINC000630358924 368785386 /nfs/dbraw/zinc/78/53/86/368785386.db2.gz CTRSJUSIHPPMNU-KBPBESRZSA-N 2 0 252.333 1.764 10 0 CDAERP CC[NH+](CCC[N@@H+](CC)[C@H]1CCOC1)[C@H]1CCOC1 ZINC000361593075 368922587 /nfs/dbraw/zinc/92/25/87/368922587.db2.gz XYTKNDVHXJIFIS-GJZGRUSLSA-N 2 0 270.417 1.598 10 0 CDAERP O=C([C@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1)N1CCCC1 ZINC000420303464 244052784 /nfs/dbraw/zinc/05/27/84/244052784.db2.gz NLSGOAGOJKQRHT-GJZGRUSLSA-N 2 0 279.428 1.320 10 0 CDAERP [NH3+]Cc1ccc(-c2cn(C[C@@H]3CCC[NH2+]3)nn2)cc1 ZINC000630604848 369371961 /nfs/dbraw/zinc/37/19/61/369371961.db2.gz DJOLSNAAVICCER-ZDUSSCGKSA-N 2 0 257.341 1.156 10 0 CDAERP [NH3+][C@H](c1cn(C[C@@H]2CCC[NH2+]2)nn1)c1ccccc1 ZINC000630604808 369372029 /nfs/dbraw/zinc/37/20/29/369372029.db2.gz DBQUUUMCOKYWGM-JSGCOSHPSA-N 2 0 257.341 1.078 10 0 CDAERP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000368428458 369473686 /nfs/dbraw/zinc/47/36/86/369473686.db2.gz FYYZLXKSSUCQCH-XUXIUFHCSA-N 2 0 267.417 1.350 10 0 CDAERP CC[NH+](CC)CCCN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000368634323 369544283 /nfs/dbraw/zinc/54/42/83/369544283.db2.gz PSBGKPPITSDYBP-OAHLLOKOSA-N 3 0 253.434 1.746 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCC(C)CC2)CC[N@@H+]1C ZINC000630741034 369954070 /nfs/dbraw/zinc/95/40/70/369954070.db2.gz OPPWGQKJUFXCHC-LSDHHAIUSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)C[NH+]2CCCCC2)CC[N@@H+]1C ZINC000630785773 370007438 /nfs/dbraw/zinc/00/74/38/370007438.db2.gz HPTHLEZCUOISIE-HRCADAONSA-N 2 0 295.471 1.955 10 0 CDAERP [NH3+]CCC[C@H]([NH3+])c1cc2c(cc1Br)OCO2 ZINC000575439334 370054058 /nfs/dbraw/zinc/05/40/58/370054058.db2.gz RXGZVVNRWLJZIH-VIFPVBQESA-N 2 0 287.157 1.917 10 0 CDAERP COC[C@@H]([NH2+]CCN1CCCC[C@@H]1C)C1CCOCC1 ZINC000249215816 370129152 /nfs/dbraw/zinc/12/91/52/370129152.db2.gz ZYNGOKQZRQLODZ-GOEBONIOSA-N 2 0 284.444 1.892 10 0 CDAERP Cc1cc(C)c(CNC(=O)N[C@@H](C)[C@@H](C)[NH3+])cn1 ZINC000418271206 370377112 /nfs/dbraw/zinc/37/71/12/370377112.db2.gz VLWLEAXGXNKLGH-MNOVXSKESA-N 2 0 250.346 1.233 10 0 CDAERP COC(C)(C)CC[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000565782658 370531927 /nfs/dbraw/zinc/53/19/27/370531927.db2.gz IKXDACWFUQMPTQ-UHFFFAOYSA-N 2 0 272.433 1.626 10 0 CDAERP CC1=CC[N@H+](CCNC(=O)NC(C)(C)CC[NH3+])CC1 ZINC000422622372 245140167 /nfs/dbraw/zinc/14/01/67/245140167.db2.gz SECQUAODQOWEJJ-UHFFFAOYSA-N 2 0 268.405 1.065 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCN(c2ccccc2)C1=O ZINC000422698008 245156915 /nfs/dbraw/zinc/15/69/15/245156915.db2.gz XGENDTAKIWOSGT-HIFRSBDPSA-N 2 0 291.395 1.135 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@H](C)C[C@@H]2COCCN2)CC1 ZINC000422740126 245200850 /nfs/dbraw/zinc/20/08/50/245200850.db2.gz MLXWWFCSCAIWLZ-GDBMZVCRSA-N 2 0 283.460 1.465 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCc2ccccc2C1 ZINC000422753526 245217424 /nfs/dbraw/zinc/21/74/24/245217424.db2.gz INLMZCFIFURDOX-STECZYCISA-N 2 0 274.408 1.886 10 0 CDAERP COc1ccc(C[C@H](C)[NH2+][C@@H]2CCc3nc[nH]c3C2)cn1 ZINC000573070364 371409960 /nfs/dbraw/zinc/40/99/60/371409960.db2.gz NJUXEWVQJUEMLK-WCQYABFASA-N 2 0 286.379 1.891 10 0 CDAERP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000575116102 371744708 /nfs/dbraw/zinc/74/47/08/371744708.db2.gz IQEKCFNDPNOIBN-RRFJBIMHSA-N 2 0 293.455 1.707 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000171776149 372224231 /nfs/dbraw/zinc/22/42/31/372224231.db2.gz ZZIRJHGDGURQBW-LSDHHAIUSA-N 2 0 294.443 1.350 10 0 CDAERP CC1CC[NH+](CCNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000171900900 372229204 /nfs/dbraw/zinc/22/92/04/372229204.db2.gz WZKLCMDCTUTOSJ-OAHLLOKOSA-N 2 0 294.443 1.208 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)C1 ZINC000578025588 372230395 /nfs/dbraw/zinc/23/03/95/372230395.db2.gz XTJVQSBFIDILTB-KGLIPLIRSA-N 2 0 281.444 1.565 10 0 CDAERP C(C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)C[C@H]1CCO1 ZINC000638668176 372275100 /nfs/dbraw/zinc/27/51/00/372275100.db2.gz JKZWCONOKWKECS-HOCLYGCPSA-N 2 0 282.428 1.646 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)c1ccccc1CC[NH3+] ZINC000580721961 372672180 /nfs/dbraw/zinc/67/21/80/372672180.db2.gz GHFULSXFWHLRRM-UHFFFAOYSA-N 2 0 277.412 1.650 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000333138478 205064047 /nfs/dbraw/zinc/06/40/47/205064047.db2.gz CRLXNGQAPKTVIE-ZIAGYGMSSA-N 2 0 282.432 1.240 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000580895433 372736003 /nfs/dbraw/zinc/73/60/03/372736003.db2.gz SYJISQLVRZMFMV-HNNXBMFYSA-N 2 0 295.402 1.668 10 0 CDAERP COC(=O)[C@@H]1CSCCN(C[C@@H]([NH3+])CC(C)C)C1 ZINC000415144932 372862674 /nfs/dbraw/zinc/86/26/74/372862674.db2.gz VWZNZCZIHCADGT-RYUDHWBXSA-N 2 0 274.430 1.198 10 0 CDAERP COCCN1CC[C@H]([NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000380753888 372882750 /nfs/dbraw/zinc/88/27/50/372882750.db2.gz BSJVASPLDFRYDQ-CABCVRRESA-N 2 0 269.433 1.027 10 0 CDAERP Cc1ccc([C@H]([NH3+])C(=O)N2CCC3(CC[NH2+]3)CC2)cc1 ZINC000333347859 205240133 /nfs/dbraw/zinc/24/01/33/205240133.db2.gz ZQWIODVVOBVAOO-AWEZNQCLSA-N 2 0 273.380 1.349 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000333369605 205262569 /nfs/dbraw/zinc/26/25/69/205262569.db2.gz MFPMDKPJMPOAIZ-OAHLLOKOSA-N 2 0 296.459 1.550 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CC[C@H]([NH3+])[C@@H]2C)C1 ZINC000333442265 205322281 /nfs/dbraw/zinc/32/22/81/205322281.db2.gz WHBUIYBMOSFWKX-IHRRRGAJSA-N 2 0 282.432 1.095 10 0 CDAERP Cc1c[nH+]ccc1N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000366719905 373263267 /nfs/dbraw/zinc/26/32/67/373263267.db2.gz NFOVPOTZKRBBLO-UHFFFAOYSA-N 2 0 290.411 1.284 10 0 CDAERP C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000631840117 373789972 /nfs/dbraw/zinc/78/99/72/373789972.db2.gz PNWDFRHMJBBWJQ-VXGBXAGGSA-N 2 0 279.359 1.681 10 0 CDAERP COc1cccc([C@@H]2C[C@@H](O)C[N@@H+]2CCn2ccnc2)c1 ZINC000225727147 374328364 /nfs/dbraw/zinc/32/83/64/374328364.db2.gz SXTPZRZHCUUOQZ-ZBFHGGJFSA-N 2 0 287.363 1.700 10 0 CDAERP CCC[NH+]1CCC([NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)CC1 ZINC000342806406 374594454 /nfs/dbraw/zinc/59/44/54/374594454.db2.gz QLVXFKRCQRPVHA-HUUCEWRRSA-N 2 0 286.460 1.608 10 0 CDAERP C[C@H]1CN(C)C[C@H]1[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000342823172 374607560 /nfs/dbraw/zinc/60/75/60/374607560.db2.gz VLISVRTVLDIYLR-DZGCQCFKSA-N 2 0 292.427 1.062 10 0 CDAERP C(CN1CCC[C@@H]2C[NH2+]CC[C@H]21)C1CC[NH2+]CC1 ZINC000631891262 374754329 /nfs/dbraw/zinc/75/43/29/374754329.db2.gz ZVLUTJFGRFUWHQ-HUUCEWRRSA-N 2 0 251.418 1.450 10 0 CDAERP [NH3+][C@H]1CCC[C@H](C(=O)N2CCC3(CC[NH2+]C3)CC2)C1 ZINC000334333285 374920806 /nfs/dbraw/zinc/92/08/06/374920806.db2.gz TWZGUTHMCKCYMA-STQMWFEESA-N 2 0 265.401 1.106 10 0 CDAERP CC[NH+]1CCC(NC(=O)C[NH+]2C[C@@H]3CCCC[C@H]3C2)CC1 ZINC000426803015 247066081 /nfs/dbraw/zinc/06/60/81/247066081.db2.gz ZQWNHEHYWGEORE-GJZGRUSLSA-N 2 0 293.455 1.709 10 0 CDAERP C[C@@H]1C[NH+]=C(N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)N1 ZINC000306596353 375773197 /nfs/dbraw/zinc/77/31/97/375773197.db2.gz MOBBUPRLGICUBJ-YCPHGPKFSA-N 2 0 286.423 1.977 10 0 CDAERP O[C@H](C[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)C[NH+]1CCCC1 ZINC000353227173 375851896 /nfs/dbraw/zinc/85/18/96/375851896.db2.gz ASXUEYSPMFOBJO-QBPKDAKJSA-N 2 0 296.455 1.628 10 0 CDAERP Cc1cc(N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)nc(C2CC2)n1 ZINC000419007296 376081561 /nfs/dbraw/zinc/08/15/61/376081561.db2.gz RIYDTFUQFHVOPV-OLZOCXBDSA-N 2 0 290.411 1.554 10 0 CDAERP O=C(CC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)NC1CCCC1 ZINC000420382397 376343987 /nfs/dbraw/zinc/34/39/87/376343987.db2.gz SDEQGTAUHZXQQI-MRXNPFEDSA-N 2 0 279.428 1.511 10 0 CDAERP CC(C)[NH+]1CCC([NH2+]CC[C@H](O)C(F)F)CC1 ZINC000631695438 376471599 /nfs/dbraw/zinc/47/15/99/376471599.db2.gz KTEODQFCKAWOKX-NSHDSACASA-N 2 0 250.333 1.465 10 0 CDAERP [NH3+]C[C@]12CCC[C@H]1CN(Cc1nc(C3CCC3)no1)C2 ZINC000631828922 376665259 /nfs/dbraw/zinc/66/52/59/376665259.db2.gz BZEDBTRBHNJNSB-WFASDCNBSA-N 2 0 276.384 1.898 10 0 CDAERP CCn1nccc1CCN1CCCCC[C@@H]([NH3+])C1 ZINC000631835586 376682035 /nfs/dbraw/zinc/68/20/35/376682035.db2.gz VKFSPTWYIUTFPC-CYBMUJFWSA-N 2 0 250.390 1.649 10 0 CDAERP C(CN1CCC[C@@H]2C[NH2+]CC[C@@H]21)C1CC[NH2+]CC1 ZINC000631891260 376786941 /nfs/dbraw/zinc/78/69/41/376786941.db2.gz ZVLUTJFGRFUWHQ-CABCVRRESA-N 2 0 251.418 1.450 10 0 CDAERP CC[NH+](CC)CCCN1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631891151 376787497 /nfs/dbraw/zinc/78/74/97/376787497.db2.gz WJDCXNQWNBRYFQ-CABCVRRESA-N 2 0 253.434 1.792 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CN(C)CCO1)[NH2+]CCCC(C)(C)C ZINC001662190901 1172501636 /nfs/dbraw/zinc/50/16/36/1172501636.db2.gz YIHDXMRQPGUXCU-ZIAGYGMSSA-N 2 0 299.459 1.238 10 0 CDAERP CC[NH+](CC)CCNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247464255 377123307 /nfs/dbraw/zinc/12/33/07/377123307.db2.gz URNXHEMZNCMAHD-KGLIPLIRSA-N 2 0 284.448 1.356 10 0 CDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H]2CCC(C)(C)O2)CC1 ZINC000248558847 377250639 /nfs/dbraw/zinc/25/06/39/377250639.db2.gz DUJCYKAAAPZVLV-GOEBONIOSA-N 2 0 298.471 1.969 10 0 CDAERP C[C@H]1C[C@H](N(C)C(=O)NC2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000173392782 378308904 /nfs/dbraw/zinc/30/89/04/378308904.db2.gz HUPHQONTHIITIH-GXTWGEPZSA-N 2 0 282.432 1.205 10 0 CDAERP CCOC1CC(CC[NH2+][C@H]2CCN(CCOC)C2)C1 ZINC000353236046 378820464 /nfs/dbraw/zinc/82/04/64/378820464.db2.gz KRDAVOSNHOMKOZ-SLTAFYQDSA-N 2 0 270.417 1.502 10 0 CDAERP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)[C@H]1C[C@H]1C ZINC000657574045 412906832 /nfs/dbraw/zinc/90/68/32/412906832.db2.gz XGQVVIMMJUGAKQ-BARDWOONSA-N 2 0 255.450 1.893 10 0 CDAERP CN(C(=O)NC[C@H]1CCCC[NH2+]1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000634268639 379276533 /nfs/dbraw/zinc/27/65/33/379276533.db2.gz BJEKCFYDDKNQDX-OCCSQVGLSA-N 2 0 280.416 1.007 10 0 CDAERP C[C@@H]([NH2+]CC1(CCO)CCC1)C1CC[NH+](C)CC1 ZINC000678599207 483126667 /nfs/dbraw/zinc/12/66/67/483126667.db2.gz XOJFIGTZOYRHMT-CYBMUJFWSA-N 2 0 254.418 1.859 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)C1 ZINC000418599900 284780146 /nfs/dbraw/zinc/78/01/46/284780146.db2.gz RTUYKXJHWFSRFK-MJBXVCDLSA-N 2 0 282.432 1.110 10 0 CDAERP C[C@H](C[NH2+][C@@H](C)Cc1ccoc1)CN1CC[NH+](C)CC1 ZINC000449132152 250706720 /nfs/dbraw/zinc/70/67/20/250706720.db2.gz SFWNMLFDUGNKMW-CABCVRRESA-N 2 0 279.428 1.684 10 0 CDAERP C[NH2+]CCCNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662398145 412960840 /nfs/dbraw/zinc/96/08/40/412960840.db2.gz PICJLICVAFCQMX-AWEZNQCLSA-N 2 0 275.396 1.405 10 0 CDAERP COC1CC[NH+](CCC[C@](C)(CO)[NH2+]C2CC2)CC1 ZINC000085240013 184608392 /nfs/dbraw/zinc/60/83/92/184608392.db2.gz PSQMRLINQLAMAV-OAHLLOKOSA-N 2 0 270.417 1.380 10 0 CDAERP C[C@H](CCNC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)[NH+](C)C ZINC000664032357 413035569 /nfs/dbraw/zinc/03/55/69/413035569.db2.gz MLUMTUZDZRMHOY-KFWWJZLASA-N 2 0 298.475 1.889 10 0 CDAERP CC[C@@H]1CN(C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC[C@@H]1[NH3+] ZINC000647015150 390354482 /nfs/dbraw/zinc/35/44/82/390354482.db2.gz JAIBQFLUGSKREA-KBXIAJHMSA-N 2 0 281.444 1.870 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N2CCC3(CC[NH2+]3)CC2)CC1 ZINC000647095701 390402573 /nfs/dbraw/zinc/40/25/73/390402573.db2.gz WUZIVRNOZPDDLV-UHFFFAOYSA-N 2 0 279.428 1.461 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCCO[C@H]1CC(C)C ZINC000423051842 285373965 /nfs/dbraw/zinc/37/39/65/285373965.db2.gz OHJFWSDUXMREGE-ZNMIVQPWSA-N 2 0 272.433 1.924 10 0 CDAERP CC(C)(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@]1(O)CCOC1 ZINC000647247603 390638363 /nfs/dbraw/zinc/63/83/63/390638363.db2.gz UHKKHIBKNCRSQM-FMKPAKJESA-N 2 0 282.428 1.380 10 0 CDAERP C[C@@H]1C[N@H+](C)C[C@H]1NC[C@@H]1C[NH+](C)C[C@H]1c1ccccc1 ZINC000647248807 390656708 /nfs/dbraw/zinc/65/67/08/390656708.db2.gz HKCSATSHRWBVDP-NRSFXHEJSA-N 2 0 287.451 1.872 10 0 CDAERP O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000648180720 390940992 /nfs/dbraw/zinc/94/09/92/390940992.db2.gz MPEBWNGKHLFZFW-TUVASFSCSA-N 2 0 291.439 1.698 10 0 CDAERP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)C[NH2+]CC1CC1 ZINC000648198310 390949841 /nfs/dbraw/zinc/94/98/41/390949841.db2.gz MALISPOETCZJEU-OAHLLOKOSA-N 2 0 273.380 1.071 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000261640168 390924571 /nfs/dbraw/zinc/92/45/71/390924571.db2.gz JUPOLNHIHHANFZ-HZSPNIEDSA-N 2 0 279.428 1.460 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000357980848 390927327 /nfs/dbraw/zinc/92/73/27/390927327.db2.gz VYPVTZJRCXZGHE-VXGBXAGGSA-N 2 0 293.415 1.297 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H](NC[C@H](Cc2ccc(F)cc2)C(N)=O)C1 ZINC000647551543 390996977 /nfs/dbraw/zinc/99/69/77/390996977.db2.gz UTLVYYVIAFZWCB-CORIIIEPSA-N 2 0 293.386 1.057 10 0 CDAERP CC(C)[NH+]1CCN(CCC[NH2+][C@@H]2CCOC[C@H]2C)CC1 ZINC000337483763 391154756 /nfs/dbraw/zinc/15/47/56/391154756.db2.gz XKJJVBOLMYTYNN-HZPDHXFCSA-N 2 0 283.460 1.417 10 0 CDAERP CC[C@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[NH+](C)C ZINC000338966005 391235043 /nfs/dbraw/zinc/23/50/43/391235043.db2.gz JYFSLEVFYYZSQZ-WTUNAVPPSA-N 2 0 267.417 1.458 10 0 CDAERP CC(C)[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1CCC1 ZINC000354220337 391238138 /nfs/dbraw/zinc/23/81/38/391238138.db2.gz GVPRDXGBGHUYJE-UHFFFAOYSA-N 2 0 293.455 1.992 10 0 CDAERP C[C@H](CN1CCOCC1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647903729 391202574 /nfs/dbraw/zinc/20/25/74/391202574.db2.gz OVPCNKYPJIPIIT-OWCLPIDISA-N 2 0 281.444 1.171 10 0 CDAERP C[NH2+]C[C@H]1CCCN1C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000418023657 391335488 /nfs/dbraw/zinc/33/54/88/391335488.db2.gz MBNRKVJFOUNVRL-CQSZACIVSA-N 2 0 280.416 1.032 10 0 CDAERP C[C@@]1(CNC(=O)NCC[NH3+])CCC[N@@H+]1Cc1ccccc1 ZINC000418050138 391369041 /nfs/dbraw/zinc/36/90/41/391369041.db2.gz ZNWGZJKIUKOWFH-INIZCTEOSA-N 2 0 290.411 1.299 10 0 CDAERP COCCC[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000111230924 391395416 /nfs/dbraw/zinc/39/54/16/391395416.db2.gz YVAUWJSZPJELKG-HNNXBMFYSA-N 2 0 269.433 1.125 10 0 CDAERP CS[C@@H]1CC[C@@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000425363770 391486504 /nfs/dbraw/zinc/48/65/04/391486504.db2.gz WRKCZOVBCCOVAP-HZSPNIEDSA-N 2 0 272.458 1.707 10 0 CDAERP O[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)Cc1ccccc1 ZINC000647786427 391452730 /nfs/dbraw/zinc/45/27/30/391452730.db2.gz OXOZZSNGWZEAAE-NXOAAHMSSA-N 2 0 274.408 1.568 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+][C@@H]2CC[C@@H]2SC)CC1 ZINC000425353918 391483079 /nfs/dbraw/zinc/48/30/79/391483079.db2.gz NMXWAZHIHPSBGD-KGLIPLIRSA-N 2 0 271.474 1.498 10 0 CDAERP CC[NH+]1CCC(NC(=O)C[NH2+][C@H]2CC3CCC2CC3)CC1 ZINC000411754017 391524529 /nfs/dbraw/zinc/52/45/29/391524529.db2.gz GHVDMMYXKMOUBZ-XUJLQICISA-N 2 0 293.455 1.755 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000418712098 391531941 /nfs/dbraw/zinc/53/19/41/391531941.db2.gz WTCJBPYCVXCZIV-AVGNSLFASA-N 2 0 270.421 1.238 10 0 CDAERP CC[C@@H]1C[C@H](C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CCO1 ZINC000426005319 391559464 /nfs/dbraw/zinc/55/94/64/391559464.db2.gz RWLGPKUNTGYGSC-APIJFGDWSA-N 2 0 252.402 1.685 10 0 CDAERP Cc1ccccc1[C@H]([NH3+])C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000417832975 391500303 /nfs/dbraw/zinc/50/03/03/391500303.db2.gz JDCAUDRKEKPGLM-IVMMDQJWSA-N 2 0 275.396 1.438 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@H](C)[C@H](C)[NH3+])C1 ZINC000417550805 391656472 /nfs/dbraw/zinc/65/64/72/391656472.db2.gz MISUXCMSUZJKNB-YNEHKIRRSA-N 2 0 270.421 1.142 10 0 CDAERP C[C@@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]C[C@@H](C)CC(F)F ZINC000647800842 391664412 /nfs/dbraw/zinc/66/44/12/391664412.db2.gz LHHXDKWWYPRHSY-LNFKQOIKSA-N 2 0 250.333 1.620 10 0 CDAERP C[NH2+]CCCNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000417658935 391723982 /nfs/dbraw/zinc/72/39/82/391723982.db2.gz KLAIAMPQHNDVHV-UHFFFAOYSA-N 2 0 296.390 1.296 10 0 CDAERP Cn1ncc(Br)c1C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415038320 391733139 /nfs/dbraw/zinc/73/31/39/391733139.db2.gz NATHALJNSBRUMG-IUCAKERBSA-N 2 0 287.205 1.400 10 0 CDAERP CCC[C@H](C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)[NH+](C)C ZINC000179265150 391775320 /nfs/dbraw/zinc/77/53/20/391775320.db2.gz BEIMRHKIWOTAJD-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000515730975 391788327 /nfs/dbraw/zinc/78/83/27/391788327.db2.gz RWPPFRAINITYLD-TZMCWYRMSA-N 2 0 281.444 1.706 10 0 CDAERP CCSCC[NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000438212709 391899016 /nfs/dbraw/zinc/89/90/16/391899016.db2.gz ICNNLVZFDOYGSY-CQSZACIVSA-N 2 0 273.490 1.603 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)CC[N@@H+]1C ZINC000646010491 391899268 /nfs/dbraw/zinc/89/92/68/391899268.db2.gz PTWVLUURCBPDTH-IGQOVBAYSA-N 2 0 267.417 1.316 10 0 CDAERP C[C@@H]([NH2+]CCN(C)Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400380781 391959424 /nfs/dbraw/zinc/95/94/24/391959424.db2.gz KEAXFZPHHJDQNK-GDBMZVCRSA-N 2 0 261.413 1.706 10 0 CDAERP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000649322771 392021360 /nfs/dbraw/zinc/02/13/60/392021360.db2.gz KZQCFDAPSRLABK-FZKCQIBNSA-N 2 0 291.439 1.508 10 0 CDAERP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2COC3(CCC3)C2)CC1 ZINC000657835399 413051740 /nfs/dbraw/zinc/05/17/40/413051740.db2.gz XDNWTSRHXONFRQ-AWEZNQCLSA-N 2 0 281.444 1.314 10 0 CDAERP CC[C@@H](C(=O)N[C@@H]1CC[NH2+]C12CCCC2)[NH+](CC)CC ZINC000649373029 392125164 /nfs/dbraw/zinc/12/51/64/392125164.db2.gz NRIVRSCKWZDJHX-UONOGXRCSA-N 2 0 281.444 1.898 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC000422969102 392276546 /nfs/dbraw/zinc/27/65/46/392276546.db2.gz SYYFGUDRTXPNBT-BXUZGUMPSA-N 2 0 282.359 1.993 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1COc2cc(OC)ccc2C1 ZINC000423020588 392279992 /nfs/dbraw/zinc/27/99/92/392279992.db2.gz CBZOJZRBINZFLA-KGLIPLIRSA-N 2 0 294.395 1.342 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000423103651 392346653 /nfs/dbraw/zinc/34/66/53/392346653.db2.gz XSNLJGFELJZALM-MQYQWHSLSA-N 2 0 268.401 1.696 10 0 CDAERP C[C@H](C[NH2+]Cc1ccc(CC[NH+](C)C)cc1)S(C)(=O)=O ZINC000568078343 392358373 /nfs/dbraw/zinc/35/83/73/392358373.db2.gz OBKYRBRLYVIIFU-CYBMUJFWSA-N 2 0 298.452 1.313 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000423143763 392383866 /nfs/dbraw/zinc/38/38/66/392383866.db2.gz XUKNXPGIJJFLRN-LBPRGKRZSA-N 2 0 264.417 1.906 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662479042 413052413 /nfs/dbraw/zinc/05/24/13/413052413.db2.gz BORBDNULQCIJTA-IUODEOHRSA-N 2 0 275.396 1.677 10 0 CDAERP c1[nH+]cn2cc(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)ccc12 ZINC000423170469 392411051 /nfs/dbraw/zinc/41/10/51/392411051.db2.gz MCTNMUQIJPBEMP-PBWFPOADSA-N 2 0 256.353 1.707 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NCCC[NH2+]Cc1cccnc1 ZINC000423189034 392429050 /nfs/dbraw/zinc/42/90/50/392429050.db2.gz OPGZQWACKGFZKF-PBHICJAKSA-N 2 0 288.439 1.634 10 0 CDAERP CC[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1cccc(OC)c1 ZINC000423202456 392439849 /nfs/dbraw/zinc/43/98/49/392439849.db2.gz KTSMGADMDUWFOR-MRXNPFEDSA-N 2 0 277.412 1.641 10 0 CDAERP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)C1CC(F)(F)C1 ZINC000529538459 392475393 /nfs/dbraw/zinc/47/53/93/392475393.db2.gz OEVRPXQBTGEIOZ-QWHCGFSZSA-N 2 0 289.414 1.893 10 0 CDAERP c1cc(C[NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)cc2c1C[NH2+]C2 ZINC000423386625 392570883 /nfs/dbraw/zinc/57/08/83/392570883.db2.gz MBMBQKZRRPMGHP-IRXDYDNUSA-N 2 0 287.407 1.146 10 0 CDAERP CC(C)[NH+]1CCC([NH2+][C@@H]2CCO[C@]3(CCOC3)C2)CC1 ZINC000360708872 392664620 /nfs/dbraw/zinc/66/46/20/392664620.db2.gz AXRCSXVYWMHPMK-HZPDHXFCSA-N 2 0 282.428 1.787 10 0 CDAERP Cn1cc(N2CCC[C@H]([NH2+][C@H]3CCCCC[C@@H]3[NH3+])C2)cn1 ZINC000517123089 392836482 /nfs/dbraw/zinc/83/64/82/392836482.db2.gz PUIYLLUFOIZBRM-BPUTZDHNSA-N 2 0 291.443 1.639 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)CC[C@@H]2CC[NH2+]C2)cc1 ZINC000646806061 392838674 /nfs/dbraw/zinc/83/86/74/392838674.db2.gz YQQFUNRCFDOIIC-GXTWGEPZSA-N 2 0 275.396 1.712 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NC[C@H](C)[NH+](C)C)[C@H](C)C1 ZINC000459032119 392882612 /nfs/dbraw/zinc/88/26/12/392882612.db2.gz AQXARPXLXCGUNJ-HZSPNIEDSA-N 2 0 284.448 1.308 10 0 CDAERP CCN1C[C@H]([NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)CC1=O ZINC000648747047 393253471 /nfs/dbraw/zinc/25/34/71/393253471.db2.gz HCHYOAALYXSLAZ-CQSZACIVSA-N 2 0 299.378 1.286 10 0 CDAERP C[NH+](C)C[C@H](NC(=O)[C@@H]1[NH2+]CC1(C)C)c1ccccc1 ZINC000649281613 393315796 /nfs/dbraw/zinc/31/57/96/393315796.db2.gz XAAHXVAXLKGEOG-KBPBESRZSA-N 2 0 275.396 1.404 10 0 CDAERP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCSCC1 ZINC000657878814 413068644 /nfs/dbraw/zinc/06/86/44/413068644.db2.gz HUANDHJFZINFFJ-KBPBESRZSA-N 2 0 271.474 1.498 10 0 CDAERP CCCCC[N@@H+]1CCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001663536683 1172718338 /nfs/dbraw/zinc/71/83/38/1172718338.db2.gz DUSLAFRNOCSVHI-HNNXBMFYSA-N 2 0 293.455 1.853 10 0 CDAERP CC(C)(C)CC[NH+]1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000188735540 140100086 /nfs/dbraw/zinc/10/00/86/140100086.db2.gz RJGLMTNFRXPRDX-QWHCGFSZSA-N 2 0 285.407 1.267 10 0 CDAERP c1ccc(C[NH+]2CCC(CNC3=[NH+]CCCN3)CC2)cc1 ZINC000195523160 140159723 /nfs/dbraw/zinc/15/97/23/140159723.db2.gz AKTFXZUJCIIRBI-UHFFFAOYSA-N 2 0 286.423 1.838 10 0 CDAERP CCn1nc(C)c([C@@H](C)[NH2+]CCOCC[NH+](C)C)c1C ZINC000219306692 140166872 /nfs/dbraw/zinc/16/68/72/140166872.db2.gz UXVUBIRSBRGATB-GFCCVEGCSA-N 2 0 282.432 1.749 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]2CN(CC(=O)NC3CCCCC3)C[C@@H]21 ZINC000230045950 140206873 /nfs/dbraw/zinc/20/68/73/140206873.db2.gz TZWISIXFYMDAJT-AEGPPILISA-N 2 0 279.428 1.495 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000261572280 140352267 /nfs/dbraw/zinc/35/22/67/140352267.db2.gz SOIKINSOKOHOAY-ZIAGYGMSSA-N 2 0 269.433 1.742 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1COC2(CCC2)C1 ZINC000657902555 413080125 /nfs/dbraw/zinc/08/01/25/413080125.db2.gz NFNJUUVYHGVZPD-ZIAGYGMSSA-N 2 0 270.417 1.644 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000417678764 397634163 /nfs/dbraw/zinc/63/41/63/397634163.db2.gz JXCLLQAODZFTLN-RDBSUJKOSA-N 2 0 298.475 1.650 10 0 CDAERP C[NH+](C)C[C@@H](NC(=O)C[NH2+]C1CC1)c1ccccc1 ZINC000040809211 397901235 /nfs/dbraw/zinc/90/12/35/397901235.db2.gz XULACHVSKZCKPT-CQSZACIVSA-N 2 0 261.369 1.158 10 0 CDAERP COC[C@H](CC[NH2+][C@@H]1CN(C2CC2)C[C@H]1C)OC ZINC000658081943 413183746 /nfs/dbraw/zinc/18/37/46/413183746.db2.gz FCEAISMNOZOQIU-KWCYVHTRSA-N 2 0 256.390 1.110 10 0 CDAERP C[NH+](C)C1CCN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000093677001 147061917 /nfs/dbraw/zinc/06/19/17/147061917.db2.gz ARCADNUMZLOICI-AGUYFDCRSA-N 2 0 279.428 1.460 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NCC[N@H+](C)C(C)C ZINC000101981020 147144189 /nfs/dbraw/zinc/14/41/89/147144189.db2.gz LYLUSDSMHLRKJK-CYBMUJFWSA-N 2 0 272.437 1.356 10 0 CDAERP Cc1ccc(N2CCC(C(=O)NCC[C@@H](C)[NH3+])CC2)nc1 ZINC000178618546 148069749 /nfs/dbraw/zinc/06/97/49/148069749.db2.gz KNFYLGCVOQILIK-CYBMUJFWSA-N 2 0 290.411 1.460 10 0 CDAERP CC[NH+](CC)CCCC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC000182778449 148266774 /nfs/dbraw/zinc/26/67/74/148266774.db2.gz BHFBHYZZUSIFGD-UHFFFAOYSA-N 2 0 298.431 1.015 10 0 CDAERP CC1(CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC[NH2+]CC1 ZINC000183346567 148296790 /nfs/dbraw/zinc/29/67/90/148296790.db2.gz NYABLQRFNSQQQP-RDBSUJKOSA-N 2 0 279.428 1.413 10 0 CDAERP CC[C@@H](C(=O)N(C)CC[NH2+]CC[C@@H](C)F)[NH+](C)C ZINC001664190840 1172822271 /nfs/dbraw/zinc/82/22/71/1172822271.db2.gz SCKMCKSDLRFOQF-NEPJUHHUSA-N 2 0 261.385 1.123 10 0 CDAERP C[C@@]1(C[N@@H+]2CCOCC3(CCOCC3)C2)CC[NH2+]C1 ZINC000262134609 149024742 /nfs/dbraw/zinc/02/47/42/149024742.db2.gz YOSSXYSJGVKPDQ-CQSZACIVSA-N 2 0 268.401 1.115 10 0 CDAERP [NH3+]CCN(CCOCC(F)F)CCc1ccccc1 ZINC000262161743 149026900 /nfs/dbraw/zinc/02/69/00/149026900.db2.gz SURBACCZAMZOBC-UHFFFAOYSA-N 2 0 272.339 1.772 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000335039178 150215233 /nfs/dbraw/zinc/21/52/33/150215233.db2.gz CYVIVDINBOFFOV-ZWNOBZJWSA-N 2 0 258.325 1.062 10 0 CDAERP C[C@@H]1CC[NH2+][C@H](C(=O)N2CCC(c3ncc[nH]3)CC2)C1 ZINC000335062620 150246820 /nfs/dbraw/zinc/24/68/20/150246820.db2.gz KZFAEHBGPRLPPJ-YPMHNXCESA-N 2 0 276.384 1.504 10 0 CDAERP O=C(CCC1CC[NH2+]CC1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000335107994 150294925 /nfs/dbraw/zinc/29/49/25/150294925.db2.gz QHQGIGAVMIHJSN-INIZCTEOSA-N 2 0 279.428 1.368 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000335435007 150640780 /nfs/dbraw/zinc/64/07/80/150640780.db2.gz GNJXIJYFMKAYOX-CHWSQXEVSA-N 2 0 282.432 1.382 10 0 CDAERP CCC1(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CCOCC1 ZINC000335786786 151019147 /nfs/dbraw/zinc/01/91/47/151019147.db2.gz MDOKZBXABUHECE-OKILXGFUSA-N 2 0 252.402 1.687 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654422701 413267917 /nfs/dbraw/zinc/26/79/17/413267917.db2.gz LUVBQJITKYYDFT-MELADBBJSA-N 2 0 284.448 1.356 10 0 CDAERP CCC[N@H+](CCO)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346136370 153067051 /nfs/dbraw/zinc/06/70/51/153067051.db2.gz HJBXUVXDTVHAFB-UHFFFAOYSA-N 2 0 274.368 1.780 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000346984809 153368112 /nfs/dbraw/zinc/36/81/12/153368112.db2.gz QYLHTOPXRZJIRV-VNHYZAJKSA-N 2 0 279.428 1.412 10 0 CDAERP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[NH+]1CCC(C)CC1 ZINC000347032405 153386326 /nfs/dbraw/zinc/38/63/26/153386326.db2.gz AGTLPVWLYOXKRS-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000654451588 413298843 /nfs/dbraw/zinc/29/88/43/413298843.db2.gz BSYJLRBBTGSHEY-KFWWJZLASA-N 2 0 294.443 1.110 10 0 CDAERP CCC[NH+]1CCC([NH2+][C@H]2C[C@H](O)C23CCC3)CC1 ZINC000658251422 413312363 /nfs/dbraw/zinc/31/23/63/413312363.db2.gz HDDNLYLCRQKAAT-KBPBESRZSA-N 2 0 252.402 1.754 10 0 CDAERP CCC[C@@](C)([NH3+])C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000662686389 413311566 /nfs/dbraw/zinc/31/15/66/413311566.db2.gz DZNZWPAXAAKVLI-GOEBONIOSA-N 2 0 291.395 1.804 10 0 CDAERP [NH3+]CCCCC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000662686808 413312240 /nfs/dbraw/zinc/31/22/40/413312240.db2.gz QYXQKGGLIABLEY-CQSZACIVSA-N 2 0 277.368 1.415 10 0 CDAERP CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000662689458 413318740 /nfs/dbraw/zinc/31/87/40/413318740.db2.gz VDESXRUIHZNQDH-GLQYFDAESA-N 2 0 291.395 1.659 10 0 CDAERP CN(C)c1cc[nH+]cc1C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000353757827 156064564 /nfs/dbraw/zinc/06/45/64/156064564.db2.gz ZYGVBIQRNYLMLU-AWEZNQCLSA-N 2 0 276.384 1.218 10 0 CDAERP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cnccc2C)CC1 ZINC000353912653 156158062 /nfs/dbraw/zinc/15/80/62/156158062.db2.gz ILNGCDTULSYUCZ-HNNXBMFYSA-N 2 0 276.428 1.506 10 0 CDAERP C[C@H](CNC(=O)CC1([NH3+])CC1)[NH+]1CCC(C)CC1 ZINC000662699446 413341008 /nfs/dbraw/zinc/34/10/08/413341008.db2.gz AEVHEPWNVJIVKZ-GFCCVEGCSA-N 2 0 253.390 1.104 10 0 CDAERP CC[NH2+][C@H](C)CNC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000358913824 158070205 /nfs/dbraw/zinc/07/02/05/158070205.db2.gz JFQOFCQHHWCOTF-GFCCVEGCSA-N 2 0 275.396 1.103 10 0 CDAERP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C1([NH2+]C2CC2)CCC1 ZINC000662720152 413377232 /nfs/dbraw/zinc/37/72/32/413377232.db2.gz UGGLZYHCGMUXGS-CQSZACIVSA-N 2 0 277.412 1.262 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000363566351 159329154 /nfs/dbraw/zinc/32/91/54/159329154.db2.gz QMSYWQSFLMEBKR-MRXNPFEDSA-N 2 0 293.455 1.566 10 0 CDAERP CCOCC[C@H](O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000373875241 160234433 /nfs/dbraw/zinc/23/44/33/160234433.db2.gz ZQMZCJUKFFYLPC-INIZCTEOSA-N 2 0 284.444 1.582 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[NH+]2CCC1CC2 ZINC000375136862 160347948 /nfs/dbraw/zinc/34/79/48/160347948.db2.gz WLHOMMRLBHBMPJ-ZDUSSCGKSA-N 2 0 282.432 1.206 10 0 CDAERP CC[C@@H]([NH2+]C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000662741752 413416617 /nfs/dbraw/zinc/41/66/17/413416617.db2.gz HTOVCCJETAXBRE-PSEXLTFBSA-N 2 0 253.390 1.116 10 0 CDAERP C[N@@H+]1CCN(C(=O)CC2([NH3+])CC2)C2(CCCCC2)C1 ZINC000662753826 413433122 /nfs/dbraw/zinc/43/31/22/413433122.db2.gz XSJSUVWQMIOLHW-UHFFFAOYSA-N 2 0 265.401 1.345 10 0 CDAERP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cn(C)nc1C(F)(F)F ZINC000422962271 286913849 /nfs/dbraw/zinc/91/38/49/286913849.db2.gz CKGOFJLIHTWTOX-SFYZADRCSA-N 2 0 264.295 1.654 10 0 CDAERP [NH3+]Cc1ccc(NC(=O)CCC[NH+]2CCC(O)CC2)cc1 ZINC000022221679 171378399 /nfs/dbraw/zinc/37/83/99/171378399.db2.gz JIBNFXJCWODKHB-UHFFFAOYSA-N 2 0 291.395 1.321 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000653214497 412141983 /nfs/dbraw/zinc/14/19/83/412141983.db2.gz XVEHUXATOJAEGZ-OKILXGFUSA-N 2 0 289.423 1.895 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)CC2([NH3+])CCC2)[C@@H](C)C1 ZINC000236902698 412121784 /nfs/dbraw/zinc/12/17/84/412121784.db2.gz VOWIYFGWYKGMOK-QWHCGFSZSA-N 2 0 267.417 1.447 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)CCC1CC[NH2+]CC1 ZINC000653214538 412144124 /nfs/dbraw/zinc/14/41/24/412144124.db2.gz ZLJUFPJQSVSFED-UHFFFAOYSA-N 2 0 289.423 1.802 10 0 CDAERP CC[N@H+](C)[C@@H](C(=O)NCCC1(C[NH3+])CC1)c1ccccc1 ZINC000653221106 412147433 /nfs/dbraw/zinc/14/74/33/412147433.db2.gz IAKMOVAQSKQAHG-OAHLLOKOSA-N 2 0 289.423 1.925 10 0 CDAERP Cc1ccccc1[C@H]([NH3+])C(=O)NCCC1(C[NH3+])CC1 ZINC000653221462 412148155 /nfs/dbraw/zinc/14/81/55/412148155.db2.gz XWSRKWRYHLDPBV-ZDUSSCGKSA-N 2 0 261.369 1.240 10 0 CDAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)C3([NH2+]C4CC4)CCC3)CC[C@@H]21 ZINC000662803835 413522070 /nfs/dbraw/zinc/52/20/70/413522070.db2.gz MMZZYAXOVHSTOJ-HIFRSBDPSA-N 2 0 291.439 1.604 10 0 CDAERP [NH3+]C1(C(=O)N2CCC3(CC[NH2+]3)CC2)CC2(CCC2)C1 ZINC000662818291 413540567 /nfs/dbraw/zinc/54/05/67/413540567.db2.gz UUPTWKRATFADKD-UHFFFAOYSA-N 2 0 263.385 1.003 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000662847094 413598247 /nfs/dbraw/zinc/59/82/47/413598247.db2.gz ZGYPFXIMCNZNLM-HZSPNIEDSA-N 2 0 281.444 1.598 10 0 CDAERP C[NH2+]CCCC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000662865506 413629401 /nfs/dbraw/zinc/62/94/01/413629401.db2.gz UDZBCYVHHGJDCM-HUUCEWRRSA-N 2 0 275.396 1.248 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000662927235 413712186 /nfs/dbraw/zinc/71/21/86/413712186.db2.gz VRBGWWOOMXHEFL-NEPJUHHUSA-N 2 0 255.406 1.254 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422856820 287271173 /nfs/dbraw/zinc/27/11/73/287271173.db2.gz GRIORIACLPYUNA-RBSFLKMASA-N 2 0 253.434 1.968 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000659468544 413856625 /nfs/dbraw/zinc/85/66/25/413856625.db2.gz BTPUEYIBFXFCAI-YUTCNCBUSA-N 2 0 282.432 1.142 10 0 CDAERP CC(C)[NH2+]CCCNC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659513775 413907473 /nfs/dbraw/zinc/90/74/73/413907473.db2.gz ZIQOSBZPSAMKMK-GFCCVEGCSA-N 2 0 258.410 1.047 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000659554303 413960106 /nfs/dbraw/zinc/96/01/06/413960106.db2.gz GJFOAYLAANBRLX-AAVRWANBSA-N 2 0 282.432 1.047 10 0 CDAERP Cc1ccncc1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000665238753 413966436 /nfs/dbraw/zinc/96/64/36/413966436.db2.gz CUUVVVSLHXASFM-HRCADAONSA-N 2 0 259.397 1.910 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)COc1ccc(C[NH3+])cc1 ZINC000037049924 172916658 /nfs/dbraw/zinc/91/66/58/172916658.db2.gz BVDOGBAJXTYVLV-ZDUSSCGKSA-N 2 0 252.358 1.225 10 0 CDAERP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000665281620 414021147 /nfs/dbraw/zinc/02/11/47/414021147.db2.gz IACYIUULEGELMG-CHWSQXEVSA-N 2 0 250.390 1.761 10 0 CDAERP C[C@@H]1[C@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)C[C@H]1c1ccccc1 ZINC000665292856 414034346 /nfs/dbraw/zinc/03/43/46/414034346.db2.gz KVOUMMCMJZBCHV-NILFDRSVSA-N 2 0 298.390 1.923 10 0 CDAERP COC1CC[NH+](Cc2cc(C[NH3+])ccc2F)CC1 ZINC000037265745 173075093 /nfs/dbraw/zinc/07/50/93/173075093.db2.gz FBJYARYTABTIBD-UHFFFAOYSA-N 2 0 252.333 1.895 10 0 CDAERP Cc1ccc(C[NH2+]CCN2CC[NH+](C)CC2)cc1C ZINC000037496773 173235782 /nfs/dbraw/zinc/23/57/82/173235782.db2.gz GTLFXMLIJSTGDS-UHFFFAOYSA-N 2 0 261.413 1.640 10 0 CDAERP CN(CC[NH+](C)C)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000665363736 414115089 /nfs/dbraw/zinc/11/50/89/414115089.db2.gz BBXGULRKLKVESG-GFCCVEGCSA-N 2 0 270.421 1.062 10 0 CDAERP C[N@@H+]1CCCN(C(=O)NC[C@H]2CC[NH+]2C(C)(C)C)CC1 ZINC000665367983 414119186 /nfs/dbraw/zinc/11/91/86/414119186.db2.gz JTUDAKBMSSVZKQ-CYBMUJFWSA-N 2 0 282.432 1.206 10 0 CDAERP C[C@@]1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCOC1 ZINC000657359646 414221421 /nfs/dbraw/zinc/22/14/21/414221421.db2.gz YKXXOOSHZNPJRW-HNNXBMFYSA-N 2 0 272.352 1.784 10 0 CDAERP Cn1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c(C(F)F)n1 ZINC000655824661 414225226 /nfs/dbraw/zinc/22/52/26/414225226.db2.gz NJVRMTMHBOFJAT-JGZJWPJOSA-N 2 0 272.343 1.788 10 0 CDAERP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cnn2c1CCC2 ZINC000657356486 414227357 /nfs/dbraw/zinc/22/73/57/414227357.db2.gz MYHIRLXIZVUTTG-OAHLLOKOSA-N 2 0 292.427 1.156 10 0 CDAERP C[C@](O)(C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)C1CC1 ZINC000657373124 414252541 /nfs/dbraw/zinc/25/25/41/414252541.db2.gz VBYPHRLMXWAMFY-HNNXBMFYSA-N 2 0 272.352 1.518 10 0 CDAERP CCN(C(=O)N[C@@H]1CC[NH+](C(C)(C)C)C1)[C@H]1CC[N@H+](C)C1 ZINC000665553156 414273586 /nfs/dbraw/zinc/27/35/86/414273586.db2.gz PCBWKTDMUMUHFH-KGLIPLIRSA-N 2 0 296.459 1.595 10 0 CDAERP [NH3+]CCN(CCc1ccccc1)C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663494344 414287922 /nfs/dbraw/zinc/28/79/22/414287922.db2.gz NZCOFDFNQGVEKV-CVEARBPZSA-N 2 0 259.397 1.099 10 0 CDAERP CC(C)[C@H]1CN(Cc2nc3c(s2)C[NH2+]CC3)CC[NH2+]1 ZINC000663493764 414290296 /nfs/dbraw/zinc/29/02/96/414290296.db2.gz JQOTVPHNWHGCGY-GFCCVEGCSA-N 2 0 280.441 1.219 10 0 CDAERP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cccc2c1OCCO2 ZINC000663498955 414296649 /nfs/dbraw/zinc/29/66/49/414296649.db2.gz VXKYYNDREWHVMY-CYBMUJFWSA-N 2 0 264.369 1.921 10 0 CDAERP [NH3+]CC1(CC[NH2+]Cc2nc3c(s2)C[NH2+]CC3)CC1 ZINC000663498280 414298690 /nfs/dbraw/zinc/29/86/90/414298690.db2.gz SAGPUSFHHGLWJR-UHFFFAOYSA-N 3 0 266.414 1.007 10 0 CDAERP C[NH+](C)CCC[C@@H]1CN(CC[NH2+]C(C)(C)C)CCO1 ZINC000663514822 414321737 /nfs/dbraw/zinc/32/17/37/414321737.db2.gz UHVJDQJOUCIEBI-CQSZACIVSA-N 2 0 271.449 1.417 10 0 CDAERP OCC1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCC1 ZINC000657433695 414322065 /nfs/dbraw/zinc/32/20/65/414322065.db2.gz ZGRTWALXXYOQSI-UHFFFAOYSA-N 2 0 272.352 1.520 10 0 CDAERP OCC[C@H]1CCC[C@H]1[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657441225 414334575 /nfs/dbraw/zinc/33/45/75/414334575.db2.gz SGXVWDCZGLESOJ-CZUORRHYSA-N 2 0 286.379 1.908 10 0 CDAERP CN(CC[C@@H]1CCCC[N@@H+]1C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662263820 414600143 /nfs/dbraw/zinc/60/01/43/414600143.db2.gz OCUYRLHEOYOWSJ-GJZGRUSLSA-N 2 0 281.444 1.314 10 0 CDAERP CN(C)c1cccc(C[N@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662279795 414609733 /nfs/dbraw/zinc/60/97/33/414609733.db2.gz LOCZOAMEVIFXSE-MRXNPFEDSA-N 2 0 289.423 1.705 10 0 CDAERP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CCO[C@@H]1CC1(F)F)C2 ZINC000662283715 414613361 /nfs/dbraw/zinc/61/33/61/414613361.db2.gz CSCNOYQEOXYSLR-TUAOUCFPSA-N 2 0 260.328 1.471 10 0 CDAERP CC[NH+](CC)CCCN1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662321296 414637539 /nfs/dbraw/zinc/63/75/39/414637539.db2.gz AZBCDZXCSBJRIA-INIZCTEOSA-N 2 0 285.476 1.761 10 0 CDAERP C[NH+](C)CCCOC(=O)Nc1ccc(C[NH3+])cc1 ZINC000040240413 174213099 /nfs/dbraw/zinc/21/30/99/174213099.db2.gz SWASWJIJEMJHKS-UHFFFAOYSA-N 2 0 251.330 1.646 10 0 CDAERP CCN1CCC[C@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000040502621 174299311 /nfs/dbraw/zinc/29/93/11/174299311.db2.gz XMHXZWYXFSDEGR-ZFWWWQNUSA-N 2 0 253.434 1.791 10 0 CDAERP C[C@H](c1ccncc1)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508142 174302893 /nfs/dbraw/zinc/30/28/93/174302893.db2.gz UJGDHOYAGXTQNH-UKRRQHHQSA-N 2 0 288.395 1.039 10 0 CDAERP Cc1cc(C)c(C(N)=[NH2+])c(OCCC[NH+](C)C)n1 ZINC000040515287 174306389 /nfs/dbraw/zinc/30/63/89/174306389.db2.gz BWHPESCODQSGAZ-UHFFFAOYSA-N 2 0 250.346 1.313 10 0 CDAERP O=C(NCC[NH+]1CCCCCC1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000040768214 174398707 /nfs/dbraw/zinc/39/87/07/174398707.db2.gz JRMCRPHIFIYTJA-JYJNAYRXSA-N 2 0 293.455 1.899 10 0 CDAERP CC(C)[N@H+]1C[C@H]2CCC[C@@H](C1)C2[NH2+]C[C@@H]1COCCO1 ZINC000040769319 174399275 /nfs/dbraw/zinc/39/92/75/174399275.db2.gz IHWAJYLPRYFTEQ-IUOOZAAYSA-N 2 0 282.428 1.500 10 0 CDAERP CC1CC[NH+](CCCNC(=O)C2CCC([NH3+])CC2)CC1 ZINC000040833035 174414908 /nfs/dbraw/zinc/41/49/08/174414908.db2.gz DEFWHULFUOUIQC-UHFFFAOYSA-N 2 0 281.444 1.742 10 0 CDAERP C[C@H]1CCC[C@](CN[C@@H]2CCC[NH2+]C2)([NH+](C)C)C1 ZINC000043327465 175008757 /nfs/dbraw/zinc/00/87/57/175008757.db2.gz XIPSPLOOXOPAPG-ZNMIVQPWSA-N 2 0 253.434 1.839 10 0 CDAERP CC[C@@H]([NH3+])[C@H](c1ccco1)N1CCC[N@H+](C)CC1 ZINC000043334618 175010548 /nfs/dbraw/zinc/01/05/48/175010548.db2.gz ZCUBWTQQOMTGMX-TZMCWYRMSA-N 2 0 251.374 1.696 10 0 CDAERP Cc1ccc([C@@H]([C@@H](C)[NH3+])N2CCC[N@H+](C)CC2)o1 ZINC000043363928 175025057 /nfs/dbraw/zinc/02/50/57/175025057.db2.gz GMEPAKSDHTUKOU-TZMCWYRMSA-N 2 0 251.374 1.614 10 0 CDAERP Cc1ccc(OCC[NH+](C)C)c(N2CCC[NH2+]CC2)c1 ZINC000043461658 175052086 /nfs/dbraw/zinc/05/20/86/175052086.db2.gz UNQVSZHPLMDQKL-UHFFFAOYSA-N 2 0 277.412 1.735 10 0 CDAERP CC[NH+]1CCN([C@H]2COc3ccccc3[C@@H]2[NH2+]C)CC1 ZINC000043805895 175108523 /nfs/dbraw/zinc/10/85/23/175108523.db2.gz UUDMSYUAGGUNBK-HOCLYGCPSA-N 2 0 275.396 1.346 10 0 CDAERP C[NH2+][C@H](CN(C)C1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000043815214 175111889 /nfs/dbraw/zinc/11/18/89/175111889.db2.gz GFCDEJOCNSKHMR-QGZVFWFLSA-N 2 0 291.439 1.982 10 0 CDAERP C[NH2+][C@H](CN1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000043967508 175128555 /nfs/dbraw/zinc/12/85/55/175128555.db2.gz JURVIEUZMSDLSR-MRXNPFEDSA-N 2 0 259.397 1.727 10 0 CDAERP CCC[NH2+][C@@H](CC)[C@@H](C)N1CC[NH+](C2CC2)CC1 ZINC000043967791 175129384 /nfs/dbraw/zinc/12/93/84/175129384.db2.gz WLNLUGMOOCQMSV-HIFRSBDPSA-N 2 0 253.434 1.933 10 0 CDAERP CC(C)OC(=O)N1CC[NH+](CCCCC[NH3+])CC1 ZINC000044239596 175155645 /nfs/dbraw/zinc/15/56/45/175155645.db2.gz IFVXINVYEJGKRU-UHFFFAOYSA-N 2 0 257.378 1.278 10 0 CDAERP Cc1ccccc1[C@@H](C)NC(=O)C[NH+]1CCC(C[NH3+])CC1 ZINC000044514201 175189455 /nfs/dbraw/zinc/18/94/55/175189455.db2.gz SNTIELNCUCKAAF-CQSZACIVSA-N 2 0 289.423 1.843 10 0 CDAERP C[C@@H]1CC[NH+](CC2CC[NH+](C)CC2)CC[C@@H](C)[NH2+]1 ZINC000044526821 175192004 /nfs/dbraw/zinc/19/20/04/175192004.db2.gz TZOIEOCURIGMMC-ZIAGYGMSSA-N 3 0 253.434 1.791 10 0 CDAERP CC[NH+]1CCC(C[N@H+]2C[C@H](C)C[NH2+]C[C@H](C)C2)CC1 ZINC000044526852 175192013 /nfs/dbraw/zinc/19/20/13/175192013.db2.gz PFDJFKWUAMOQLO-GASCZTMLSA-N 3 0 267.461 1.896 10 0 CDAERP CCN(CC)C(=O)CCC[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000044531173 175195659 /nfs/dbraw/zinc/19/56/59/175195659.db2.gz QBNPJVIUBTYWTM-ZDUSSCGKSA-N 2 0 255.406 1.306 10 0 CDAERP C[C@@H]1CCN(C[C@@H]2CCC[N@H+](C)C2)CC[C@H](C)[NH2+]1 ZINC000044538707 175200076 /nfs/dbraw/zinc/20/00/76/175200076.db2.gz HUJFQXHSTUHYRZ-QLFBSQMISA-N 2 0 253.434 1.791 10 0 CDAERP C[C@H]([NH2+][C@@H]1CCN(C2CC2)C1)[C@@H]1CCC[N@H+](C)C1 ZINC000044685735 175230781 /nfs/dbraw/zinc/23/07/81/175230781.db2.gz MXHSEINUQYMANH-BFHYXJOUSA-N 2 0 251.418 1.543 10 0 CDAERP CCC(CC)(C[NH3+])C(=O)N[C@H](C)C[NH+]1CCCC1 ZINC000044763648 175247585 /nfs/dbraw/zinc/24/75/85/175247585.db2.gz FDWVQBOTBKBYCN-GFCCVEGCSA-N 2 0 255.406 1.352 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)C1(C[NH3+])CCCCC1 ZINC000044763817 175247735 /nfs/dbraw/zinc/24/77/35/175247735.db2.gz TXAAZBGRRUEGNA-CQSZACIVSA-N 2 0 283.460 1.988 10 0 CDAERP CCC[C@H](C[NH3+])C(=O)NC1CC[NH+](CCC)CC1 ZINC000044806439 175256347 /nfs/dbraw/zinc/25/63/47/175256347.db2.gz DUTAUZYOHBUMPG-GFCCVEGCSA-N 2 0 255.406 1.352 10 0 CDAERP CC[C@@H]([NH3+])c1cccc(S(=O)(=O)NC[C@H](C)[NH+](C)C)c1 ZINC000045110279 175309797 /nfs/dbraw/zinc/30/97/97/175309797.db2.gz IGZLNDVJSZXNFK-SMDDNHRTSA-N 2 0 299.440 1.325 10 0 CDAERP CCC[NH2+][C@@](C)(CCC[N@@H+]1CCC[C@@H]1C)C(N)=O ZINC000045367946 175362921 /nfs/dbraw/zinc/36/29/21/175362921.db2.gz HQNUOFMELSLFEN-JSGCOSHPSA-N 2 0 255.406 1.495 10 0 CDAERP CCCC[N@H+](C)CCC[C@](C)([NH2+]C(C)C)C(N)=O ZINC000045368411 175363945 /nfs/dbraw/zinc/36/39/45/175363945.db2.gz SUYDLAIBUQZFIJ-AWEZNQCLSA-N 2 0 257.422 1.741 10 0 CDAERP CC[NH2+][C@@](C)(CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)C(N)=O ZINC000045373363 175364972 /nfs/dbraw/zinc/36/49/72/175364972.db2.gz GMNUAAYBDQELND-LZWOXQAQSA-N 2 0 283.460 1.988 10 0 CDAERP CC[N@H+](CCCC[C@](C)([NH2+]C1CC1)C(N)=O)C1CC1 ZINC000045386450 175372835 /nfs/dbraw/zinc/37/28/35/175372835.db2.gz ATPXCOCBTVCJRG-HNNXBMFYSA-N 2 0 267.417 1.637 10 0 CDAERP CCOC(=O)[C@@](C)([NH3+])CCCCN1CCC([NH+](C)C)CC1 ZINC000045392439 175375431 /nfs/dbraw/zinc/37/54/31/175375431.db2.gz WUDVLTFEPUSRMC-INIZCTEOSA-N 2 0 299.459 1.463 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000335894649 298952421 /nfs/dbraw/zinc/95/24/21/298952421.db2.gz PWPMLDGIZIDUMW-LBPRGKRZSA-N 2 0 253.390 1.106 10 0 CDAERP CC[C@H]1C[C@@](C[NH3+])(N2CCC([NH+](C)C)CC2)CCO1 ZINC000070363602 175891111 /nfs/dbraw/zinc/89/11/11/175891111.db2.gz VKCIXJVPSDFNMG-GJZGRUSLSA-N 2 0 269.433 1.299 10 0 CDAERP CC(C)(C)[NH+]1CCN(C[C@]([NH3+])(CO)c2ccccc2)CC1 ZINC000070514770 175963455 /nfs/dbraw/zinc/96/34/55/175963455.db2.gz NZXFETDNPKMRHS-KRWDZBQOSA-N 2 0 291.439 1.249 10 0 CDAERP CC[NH2+][C@H]1CCCN(C[C@@H]2CCC[N@@H+]2CC)C1=O ZINC000071032787 176023378 /nfs/dbraw/zinc/02/33/78/176023378.db2.gz RYIRYHCQKHOCGF-STQMWFEESA-N 2 0 253.390 1.071 10 0 CDAERP CCC[NH2+][C@@H]1CCN(C[C@@H]2CCC[N@@H+]2CC)C1=O ZINC000071032776 176023754 /nfs/dbraw/zinc/02/37/54/176023754.db2.gz VFZHKHPFBKSIIA-QWHCGFSZSA-N 2 0 253.390 1.071 10 0 CDAERP CC[NH2+][C@H]1CCCN(C[C@@H]2CC[N@@H+](C(C)C)C2)C1=O ZINC000071035251 176025007 /nfs/dbraw/zinc/02/50/07/176025007.db2.gz AUKOIUIBAQZLPT-KGLIPLIRSA-N 2 0 267.417 1.317 10 0 CDAERP C[NH2+][C@@H]1CCCN(C[C@H](C)[NH+]2CCCCC2)C1=O ZINC000071036374 176025270 /nfs/dbraw/zinc/02/52/70/176025270.db2.gz RWMOIBMWSBUVKC-QWHCGFSZSA-N 2 0 253.390 1.071 10 0 CDAERP CC[C@H]1CCC[C@H]([N@H+](C)CC(=O)N2CC[NH2+]CC2)C1 ZINC000071126299 176035633 /nfs/dbraw/zinc/03/56/33/176035633.db2.gz DBEDPMFKNMVJRB-KBPBESRZSA-N 2 0 267.417 1.319 10 0 CDAERP C[NH2+]C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2OC)C1 ZINC000071145406 176042161 /nfs/dbraw/zinc/04/21/61/176042161.db2.gz HIHYILMIJIJILN-ZDUSSCGKSA-N 2 0 291.395 1.565 10 0 CDAERP CN1CC[C@H]([N@H+](CCC[NH3+])C2CCCCCC2)C1=O ZINC000071183290 176058345 /nfs/dbraw/zinc/05/83/45/176058345.db2.gz WGXUTXIXEULAQN-AWEZNQCLSA-N 2 0 267.417 1.591 10 0 CDAERP CN(Cc1cc(N)cc2c1OCOC2)C[C@H]1CC[N@H+](C)C1 ZINC000071187686 176060738 /nfs/dbraw/zinc/06/07/38/176060738.db2.gz NGCGRPOKISYVOJ-LBPRGKRZSA-N 2 0 291.395 1.519 10 0 CDAERP C[C@@H]([NH3+])[C@@H](c1ccncc1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188135 176062703 /nfs/dbraw/zinc/06/27/03/176062703.db2.gz JYIGAILHVNHGBA-NFAWXSAZSA-N 2 0 262.401 1.353 10 0 CDAERP CCCC1(C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)CC[NH2+]CC1 ZINC000071189605 176065606 /nfs/dbraw/zinc/06/56/06/176065606.db2.gz KIWSSYIGGREEHN-CQSZACIVSA-N 2 0 281.444 1.566 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1Cc1ccc(F)cc1C(N)=[NH2+] ZINC000071268018 176101792 /nfs/dbraw/zinc/10/17/92/176101792.db2.gz HGQKWSPBIDYALQ-CYBMUJFWSA-N 2 0 278.375 1.636 10 0 CDAERP C[C@@H]([NH3+])[C@@H](c1ccco1)N1CC[NH+](CC(C)(C)O)CC1 ZINC000071380344 176145086 /nfs/dbraw/zinc/14/50/86/176145086.db2.gz JNDVBOMRCUXMFP-OCCSQVGLSA-N 2 0 281.400 1.056 10 0 CDAERP CC(C)(O)C[NH+]1CCN(CC(C)(C)C[NH2+]C(C)(C)C)CC1 ZINC000071381756 176145627 /nfs/dbraw/zinc/14/56/27/176145627.db2.gz GDXITXKNIVSMCK-UHFFFAOYSA-N 2 0 299.503 1.789 10 0 CDAERP COc1ccc([C@H](C[NH3+])N2CC[NH+](C)CC2)cc1Cl ZINC000071634364 176238063 /nfs/dbraw/zinc/23/80/63/176238063.db2.gz VXADCMBGQXGRED-ZDUSSCGKSA-N 2 0 283.803 1.596 10 0 CDAERP CC(C)[N@H+](CCNC(=O)N1CCC[C@@H]([NH+](C)C)C1)C1CC1 ZINC000072274316 176355615 /nfs/dbraw/zinc/35/56/15/176355615.db2.gz HMRRIOUTHACZGR-OAHLLOKOSA-N 2 0 296.459 1.595 10 0 CDAERP CCC[NH+]1CCN([C@@]2(C[NH3+])CCO[C@](C)(CC)C2)CC1 ZINC000078621218 177361784 /nfs/dbraw/zinc/36/17/84/177361784.db2.gz ADMMAPQJCVLLTP-CVEARBPZSA-N 2 0 283.460 1.691 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)CC[C@H](C)CC[NH3+] ZINC000079119749 177437562 /nfs/dbraw/zinc/43/75/62/177437562.db2.gz AOPRCUNTZJUONM-STQMWFEESA-N 2 0 257.422 1.598 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000261895486 287390544 /nfs/dbraw/zinc/39/05/44/287390544.db2.gz CXAILCYTGWQGDW-KFWWJZLASA-N 2 0 293.455 1.755 10 0 CDAERP CC(C)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001666172290 1173114503 /nfs/dbraw/zinc/11/45/03/1173114503.db2.gz FFDZUPQUNYPIJC-HOTGVXAUSA-N 2 0 295.471 1.812 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001666525263 1173144745 /nfs/dbraw/zinc/14/47/45/1173144745.db2.gz CMRUEGZWSLHRET-KGLIPLIRSA-N 2 0 267.417 1.389 10 0 CDAERP C[NH2+]C[C@H](C)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000659473777 423796658 /nfs/dbraw/zinc/79/66/58/423796658.db2.gz MSZQGXWEDVBWLL-QEJZJMRPSA-N 2 0 290.411 1.339 10 0 CDAERP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000662274722 423839258 /nfs/dbraw/zinc/83/92/58/423839258.db2.gz WHGNRSXBNUKMDW-ZIRHEVKLSA-N 2 0 264.413 1.861 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655247188 424095040 /nfs/dbraw/zinc/09/50/40/424095040.db2.gz VWZFMVLFFBTGKW-HZSPNIEDSA-N 2 0 267.417 1.317 10 0 CDAERP Cn1c2ccccc2cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1=O ZINC000653501570 424222382 /nfs/dbraw/zinc/22/23/82/424222382.db2.gz ARYOHDCAEKJHBZ-GJZGRUSLSA-N 2 0 283.375 1.190 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655611011 424181267 /nfs/dbraw/zinc/18/12/67/424181267.db2.gz QCNKDIFMZJEREC-VHSXEESVSA-N 2 0 281.322 1.257 10 0 CDAERP COc1ccc(C2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)nc1 ZINC000652344457 424276569 /nfs/dbraw/zinc/27/65/69/424276569.db2.gz IKEKKSICCYXFAN-CYBMUJFWSA-N 2 0 275.396 1.879 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001667054630 1173228405 /nfs/dbraw/zinc/22/84/05/1173228405.db2.gz QYVDUFWFEMEKBS-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP [NH3+]CC12CCC(CC1)CN2C(=O)[C@H]([NH3+])c1ccccc1 ZINC000518993971 265288766 /nfs/dbraw/zinc/28/87/66/265288766.db2.gz WTAIFOZQWYWBGN-CXOJTPOUSA-N 2 0 273.380 1.416 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000660845045 424334332 /nfs/dbraw/zinc/33/43/32/424334332.db2.gz ZWSLNUQXVQYLTM-OCCSQVGLSA-N 2 0 294.443 1.395 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000653132733 424339775 /nfs/dbraw/zinc/33/97/75/424339775.db2.gz ZXZUFJFZNGWEDT-CYBMUJFWSA-N 2 0 261.369 1.060 10 0 CDAERP C[C@@H](CNC(=O)C1([NH2+]C2CC2)CCC1)[N@H+](C)C1CC1 ZINC000662714301 424367575 /nfs/dbraw/zinc/36/75/75/424367575.db2.gz YVFYQEPXQGCHSN-NSHDSACASA-N 2 0 265.401 1.260 10 0 CDAERP CC[N@H+](C)C[C@H](O)CN[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000653663776 424401165 /nfs/dbraw/zinc/40/11/65/424401165.db2.gz IZRSGLWZZGCTFW-BRWVUGGUSA-N 2 0 291.439 1.334 10 0 CDAERP C[N@H+](CCCCNC(=O)N[C@@H]1CCC[NH+](C)C1)C1CC1 ZINC000652418096 424411647 /nfs/dbraw/zinc/41/16/47/424411647.db2.gz SBUWEQBVRAYMGT-CYBMUJFWSA-N 2 0 282.432 1.254 10 0 CDAERP CC(C)([NH3+])c1cc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)on1 ZINC000662765818 424425432 /nfs/dbraw/zinc/42/54/32/424425432.db2.gz ISMHYANHBQSOCW-GARJFASQSA-N 2 0 292.383 1.068 10 0 CDAERP C[C@H](CC(=O)N[C@H](C[NH3+])C(F)(F)F)C1CC[NH2+]CC1 ZINC000655504988 424667622 /nfs/dbraw/zinc/66/76/22/424667622.db2.gz MREKHHIXTQLSGV-PSASIEDQSA-N 2 0 281.322 1.018 10 0 CDAERP CCC1(CC)CN(CCn2ccnc2)CC[S@@]1=O ZINC000185273043 270256654 /nfs/dbraw/zinc/25/66/54/270256654.db2.gz RXQPSVVDKTWFAN-SFHVURJKSA-N 2 0 269.414 1.506 10 0 CDAERP O[C@H](CNC[C@H]1CC[N@@H+]1C1CCCCC1)C[NH+]1CCCC1 ZINC000530236740 271177833 /nfs/dbraw/zinc/17/78/33/271177833.db2.gz QROCKVTXJSXDRO-IAGOWNOFSA-N 2 0 295.471 1.440 10 0 CDAERP CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)CC1 ZINC000262013304 276004489 /nfs/dbraw/zinc/00/44/89/276004489.db2.gz VVHJXZXQAADADY-GVDBMIGSSA-N 2 0 295.471 1.608 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000418205737 276231034 /nfs/dbraw/zinc/23/10/34/276231034.db2.gz ZSRRFWCICDVROR-GRYCIOLGSA-N 2 0 258.410 1.142 10 0 CDAERP CC[C@H](C(N)=O)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062034243 276550243 /nfs/dbraw/zinc/55/02/43/276550243.db2.gz YGPQWNAWUATVCV-CYBMUJFWSA-N 2 0 253.390 1.058 10 0 CDAERP C[NH+]1CCC(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000367591017 277026667 /nfs/dbraw/zinc/02/66/67/277026667.db2.gz XPHCEIKEJWKQPA-ARFHVFGLSA-N 3 0 265.445 1.791 10 0 CDAERP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000335534581 278048915 /nfs/dbraw/zinc/04/89/15/278048915.db2.gz JYDNQWFMHSXYQA-GXTWGEPZSA-N 2 0 265.401 1.071 10 0 CDAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCC(=O)NC1 ZINC000251173915 278216787 /nfs/dbraw/zinc/21/67/87/278216787.db2.gz FUHFZUCCRQFGRJ-AGIUHOORSA-N 2 0 253.390 1.165 10 0 CDAERP CC[N@H+](CC(=O)N(C)[C@@H]1CC[NH+](C2CC2)C1)C1CC1 ZINC000343898826 279047963 /nfs/dbraw/zinc/04/79/63/279047963.db2.gz PCDVLFRKYHFFTB-CQSZACIVSA-N 2 0 265.401 1.166 10 0 CDAERP CC(C)C[C@H](CNC(=O)[C@H]1CCC[C@@H]1[NH3+])[NH+](C)C ZINC000085371133 279161018 /nfs/dbraw/zinc/16/10/18/279161018.db2.gz OWZKRIBWKPFMSH-AGIUHOORSA-N 2 0 255.406 1.206 10 0 CDAERP CC[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000336151910 279261125 /nfs/dbraw/zinc/26/11/25/279261125.db2.gz ZGMLRGMPYYVCMM-HIFRSBDPSA-N 2 0 294.443 1.349 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C1([NH3+])CCCC1 ZINC000092629830 279324474 /nfs/dbraw/zinc/32/44/74/279324474.db2.gz YXBYUPLZNUXVHA-LBPRGKRZSA-N 2 0 253.390 1.201 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCC[NH+]1CCCC[C@@H]1C ZINC000357041302 279379822 /nfs/dbraw/zinc/37/98/22/279379822.db2.gz CSWNBPFGNGWCNO-GJZGRUSLSA-N 2 0 298.475 1.889 10 0 CDAERP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000334747713 280068315 /nfs/dbraw/zinc/06/83/15/280068315.db2.gz JXERUCIHPOPFNQ-KBPBESRZSA-N 2 0 279.428 1.223 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCN(c2ccccc2)C1=O ZINC000422686861 280745665 /nfs/dbraw/zinc/74/56/65/280745665.db2.gz AUPRWPSKQKUYGG-ZFWWWQNUSA-N 2 0 275.396 1.899 10 0 CDAERP C[NH+]1CCC(C(=O)N2CC3CCC2(C[NH3+])CC3)CC1 ZINC000517037672 280969931 /nfs/dbraw/zinc/96/99/31/280969931.db2.gz GODCIPNOAQQHMA-UHFFFAOYSA-N 2 0 265.401 1.058 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccc(C[NH3+])cc1 ZINC000094446694 288292787 /nfs/dbraw/zinc/29/27/87/288292787.db2.gz WHTIMIKGGYZZSL-CZUORRHYSA-N 2 0 287.407 1.844 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000094648008 289061130 /nfs/dbraw/zinc/06/11/30/289061130.db2.gz AKUFXITXRLZWJO-CHWSQXEVSA-N 2 0 255.406 1.175 10 0 CDAERP C[NH+](C)CC1(C[NH2+][C@H](C2CC2)[C@H]2CNCCO2)CCCC1 ZINC000423037891 289095063 /nfs/dbraw/zinc/09/50/63/289095063.db2.gz NKCJBNWPDSMOSS-HZPDHXFCSA-N 2 0 295.471 1.465 10 0 CDAERP CCC[C@H](C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)[NH+](C)C ZINC000152981045 289153659 /nfs/dbraw/zinc/15/36/59/289153659.db2.gz WBEXANAXRUKSBA-SGMGOOAPSA-N 2 0 267.417 1.458 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000087619339 289210424 /nfs/dbraw/zinc/21/04/24/289210424.db2.gz HACQYGLMEYUKOY-GDBMZVCRSA-N 2 0 287.407 1.426 10 0 CDAERP CC[NH+](CC)CCNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000156615676 289268502 /nfs/dbraw/zinc/26/85/02/289268502.db2.gz PFLGLLZZUZOOQC-UHFFFAOYSA-N 2 0 298.475 1.748 10 0 CDAERP C[N@@H+]1CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)C2(CCCCC2)C1 ZINC000246244353 290021455 /nfs/dbraw/zinc/02/14/55/290021455.db2.gz JEEJTUWVXZUCPH-ZIAGYGMSSA-N 2 0 279.428 1.591 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)[C@H]2CCC[C@H]21 ZINC000353627173 290220593 /nfs/dbraw/zinc/22/05/93/290220593.db2.gz ZETJFORVYLTTEJ-KXNHARMFSA-N 2 0 280.334 1.762 10 0 CDAERP C[C@@H]1CN(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CCO1 ZINC000556869301 290312862 /nfs/dbraw/zinc/31/28/62/290312862.db2.gz GUGXJBRCENYIRN-QKPAOTATSA-N 2 0 281.444 1.170 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000570307725 294214732 /nfs/dbraw/zinc/21/47/32/294214732.db2.gz MUKILDVZUQJPGS-TUKIKUTGSA-N 2 0 288.395 1.005 10 0 CDAERP [NH3+]CCC1CCN(C(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000570578973 294266583 /nfs/dbraw/zinc/26/65/83/294266583.db2.gz YNRZYWMCRXZYME-LSDHHAIUSA-N 2 0 281.444 1.872 10 0 CDAERP CO[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000423140262 294320124 /nfs/dbraw/zinc/32/01/24/294320124.db2.gz MEKUBSVHZRTEGZ-CKYFFXLPSA-N 2 0 251.374 1.923 10 0 CDAERP C[C@@H](NCC[NH+]1CCCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000573315707 294793017 /nfs/dbraw/zinc/79/30/17/294793017.db2.gz URYMXKQTWRTNFD-HUUCEWRRSA-N 2 0 253.434 1.840 10 0 CDAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)NC/C=C/C[NH2+]CCF ZINC001668898983 1173477424 /nfs/dbraw/zinc/47/74/24/1173477424.db2.gz FQCFFNHXBSFANH-VOTSOKGWSA-N 2 0 299.434 1.871 10 0 CDAERP C[C@@H](NC(=O)c1ccccc1CC[NH3+])C(C)(C)C[NH+](C)C ZINC000573574235 294844553 /nfs/dbraw/zinc/84/45/53/294844553.db2.gz BTWQUZDYXYVZOA-CYBMUJFWSA-N 2 0 291.439 1.894 10 0 CDAERP C[NH+](C)C1CC([NH2+]C2CCN(C(=O)c3ccoc3)CC2)C1 ZINC000574584502 295023985 /nfs/dbraw/zinc/02/39/85/295023985.db2.gz HGYBDYWUQSALJR-UHFFFAOYSA-N 2 0 291.395 1.566 10 0 CDAERP C[NH2+]Cc1ccccc1NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000574876765 295068204 /nfs/dbraw/zinc/06/82/04/295068204.db2.gz FWTCJPMEEFGSKC-RYUDHWBXSA-N 2 0 261.369 1.733 10 0 CDAERP Cc1cc(C)n2c(C[NH2+][C@H](C)C[C@H](C)[NH3+])cnc2n1 ZINC000575059963 295093992 /nfs/dbraw/zinc/09/39/92/295093992.db2.gz PVXFOHPBBJKPSF-VHSXEESVSA-N 2 0 261.373 1.562 10 0 CDAERP [NH3+]CCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423181672 295231773 /nfs/dbraw/zinc/23/17/73/295231773.db2.gz GJFOBBKERWBNFA-DZGCQCFKSA-N 3 0 261.369 1.181 10 0 CDAERP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000417786856 298996783 /nfs/dbraw/zinc/99/67/83/298996783.db2.gz DGWGYODZHXMHEK-RWMBFGLXSA-N 2 0 267.417 1.350 10 0 CDAERP C[C@H](C[NH2+]CCCF)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001669328384 1173536097 /nfs/dbraw/zinc/53/60/97/1173536097.db2.gz AMAYGOPKTZXWCG-CYBMUJFWSA-N 2 0 285.407 1.316 10 0 CDAERP c1cncc([C@@H]2C[NH2+]CCN2C[C@@H]2CCC[NH2+]C2)c1 ZINC000261683771 304860766 /nfs/dbraw/zinc/86/07/66/304860766.db2.gz IPEUCLBEHDBFKN-HIFRSBDPSA-N 2 0 260.385 1.028 10 0 CDAERP COCCC[N@H+](C)C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001669892268 1173627826 /nfs/dbraw/zinc/62/78/26/1173627826.db2.gz BXBXQJNWLKXKES-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@@H](F)C[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001670100124 1173654967 /nfs/dbraw/zinc/65/49/67/1173654967.db2.gz RCZKGWHPAKHSOF-MGPQQGTHSA-N 2 0 287.423 1.513 10 0 CDAERP CC(C)[NH+](CCCNC(=O)CC[C@H](C)[NH3+])C(C)C ZINC000566676488 316655297 /nfs/dbraw/zinc/65/52/97/316655297.db2.gz QCEILOMGDWOXPF-ZDUSSCGKSA-N 2 0 257.422 1.739 10 0 CDAERP CCC(CC)(C[NH3+])C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000576876977 317223426 /nfs/dbraw/zinc/22/34/26/317223426.db2.gz VYAQHRDPHBEKML-CQSZACIVSA-N 2 0 267.417 1.354 10 0 CDAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+]1CCCC[C@H]1C ZINC000577408631 317326821 /nfs/dbraw/zinc/32/68/21/317326821.db2.gz BLPGOCYRHFRQJF-KFWWJZLASA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001672337876 1173767165 /nfs/dbraw/zinc/76/71/65/1173767165.db2.gz BKLSDELDSMEALP-KBPBESRZSA-N 2 0 269.433 1.419 10 0 CDAERP CC[NH2+]CCCNC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000577712192 317385771 /nfs/dbraw/zinc/38/57/71/317385771.db2.gz BAWRQNOZFHHRLZ-ZIAGYGMSSA-N 2 0 284.448 1.548 10 0 CDAERP CC(C)CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001672840211 1173803903 /nfs/dbraw/zinc/80/39/03/1173803903.db2.gz UPYBYQSMMVGSJK-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP CN(C[C@H]1CCC[N@@H+]1C)C(=O)Cn1cnc2c1CCCC2 ZINC000579220291 324130757 /nfs/dbraw/zinc/13/07/57/324130757.db2.gz JOEOQPUQYFYOIF-CYBMUJFWSA-N 2 0 290.411 1.315 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCCC[C@@H]2[NH3+])[C@@H]1n1cccn1 ZINC000579461596 324190648 /nfs/dbraw/zinc/19/06/48/324190648.db2.gz GYCIFBROUFCYTD-NPJQDHAYSA-N 2 0 292.427 1.851 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C[C@@H](C)COC ZINC000580128979 324374981 /nfs/dbraw/zinc/37/49/81/324374981.db2.gz FZJPXPYLUFIERU-CVEARBPZSA-N 2 0 285.476 1.617 10 0 CDAERP C[NH2+]CCCN(C)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000583380439 325164037 /nfs/dbraw/zinc/16/40/37/325164037.db2.gz JDVMOPMCIWVDCE-CYBMUJFWSA-N 2 0 255.406 1.319 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000583811410 325245016 /nfs/dbraw/zinc/24/50/16/325245016.db2.gz ZMKAJHKSQWOFHZ-RBSFLKMASA-N 2 0 281.444 1.885 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC2(O)Cc3ccccc3C2)C1 ZINC000584539841 329518987 /nfs/dbraw/zinc/51/89/87/329518987.db2.gz GBLJDOQVIBXOCP-HUUCEWRRSA-N 2 0 260.381 1.376 10 0 CDAERP CC[C@H](F)C[NH2+]CC[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001699166870 1176121581 /nfs/dbraw/zinc/12/15/81/1176121581.db2.gz XEHJPOJPSPLKBY-STQMWFEESA-N 2 0 273.396 1.315 10 0 CDAERP CC(C)CC[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001481215239 1159578244 /nfs/dbraw/zinc/57/82/44/1159578244.db2.gz HPVJDKKGNMFYAQ-CYBMUJFWSA-N 2 0 255.406 1.175 10 0 CDAERP CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]CCCF ZINC001269174138 1160040239 /nfs/dbraw/zinc/04/02/39/1160040239.db2.gz JANUDQMSKXXYCN-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP FC1(F)C[C@@H]1OCC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000662276013 482235780 /nfs/dbraw/zinc/23/57/80/482235780.db2.gz IHLDXZMBQDKMEQ-AGIUHOORSA-N 2 0 274.355 1.875 10 0 CDAERP c1cnn(-c2cccc(C[NH2+]C[C@@H]3CC[NH2+]C3)c2)c1 ZINC000398291926 482246537 /nfs/dbraw/zinc/24/65/37/482246537.db2.gz BGCRCLILTSZSIH-CQSZACIVSA-N 2 0 256.353 1.571 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000652291841 482459026 /nfs/dbraw/zinc/45/90/26/482459026.db2.gz KJAZERNTBJDWDG-WFASDCNBSA-N 2 0 290.411 1.285 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000669513399 482530576 /nfs/dbraw/zinc/53/05/76/482530576.db2.gz KFEVPAJHHJKXQS-CQSZACIVSA-N 2 0 288.395 1.444 10 0 CDAERP C[N@@H+]1CC[C@H](NC(=O)NC/C=C\C[NH3+])[C@H]1c1ccccc1 ZINC000669545778 482642852 /nfs/dbraw/zinc/64/28/52/482642852.db2.gz KZIYDLZXVYBGPV-RWCKICOTSA-N 2 0 288.395 1.246 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000417943851 482644943 /nfs/dbraw/zinc/64/49/43/482644943.db2.gz VLIOXQMFDWBRBR-JYVUQVBGSA-N 2 0 296.459 1.676 10 0 CDAERP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NC/C=C/C[NH3+])C1 ZINC000669310819 482686790 /nfs/dbraw/zinc/68/67/90/482686790.db2.gz ZYRIWEBZGRJDPQ-LSMGEYOZSA-N 2 0 282.432 1.169 10 0 CDAERP CNC(=O)c1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000334181864 482709573 /nfs/dbraw/zinc/70/95/73/482709573.db2.gz DKKVGLZJZIOKPV-QGZVFWFLSA-N 2 0 287.407 1.622 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000659623083 482712296 /nfs/dbraw/zinc/71/22/96/482712296.db2.gz APEPKJZDUOVFNH-OAHLLOKOSA-N 2 0 298.475 1.733 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000684395784 482791212 /nfs/dbraw/zinc/79/12/12/482791212.db2.gz GEFYEBQUTYNKOF-LSDHHAIUSA-N 2 0 272.433 1.892 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000094648010 482799125 /nfs/dbraw/zinc/79/91/25/482799125.db2.gz AKUFXITXRLZWJO-QWHCGFSZSA-N 2 0 255.406 1.175 10 0 CDAERP C[C@@H]1CN(c2cc[nH+]c3c(O)cccc23)CC[N@@H+]1CCO ZINC000684584815 482894521 /nfs/dbraw/zinc/89/45/21/482894521.db2.gz SFGAJQWQTKELHK-GFCCVEGCSA-N 2 0 287.363 1.443 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N1CCC([NH+](C)C)CC1 ZINC000088276339 482928454 /nfs/dbraw/zinc/92/84/54/482928454.db2.gz FCCHUVZFGJAXKI-ZDUSSCGKSA-N 2 0 269.433 1.550 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000088277264 482929788 /nfs/dbraw/zinc/92/97/88/482929788.db2.gz NJRYASHPKFWGJX-KBPBESRZSA-N 2 0 267.417 1.304 10 0 CDAERP C[N@H+](CCNC(=O)C[C@@H]1CCC[C@H]1[NH3+])C1CCCCC1 ZINC000261882335 482942880 /nfs/dbraw/zinc/94/28/80/482942880.db2.gz ZFYUCXYGHFYBLX-DZGCQCFKSA-N 2 0 281.444 1.885 10 0 CDAERP C[NH+](C)C1CCC([NH2+]CC(C)(C)N2CCOCC2)CC1 ZINC000681784181 483008998 /nfs/dbraw/zinc/00/89/98/483008998.db2.gz WWKWKOARXHJHBG-UHFFFAOYSA-N 2 0 283.460 1.560 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)NCCCCn1ccnc1 ZINC000089461092 483088245 /nfs/dbraw/zinc/08/82/45/483088245.db2.gz QYAHNFYUYOAIBR-CHWSQXEVSA-N 2 0 264.373 1.155 10 0 CDAERP C[C@@H](CO)C[NH+]1CCCC2(CCC[N@@H+](C[C@@H](C)CO)C2)C1 ZINC000685593204 483179808 /nfs/dbraw/zinc/17/98/08/483179808.db2.gz QQNSWBUIRNXZSW-YNPPLXCJSA-N 2 0 298.471 1.421 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000669469244 483180506 /nfs/dbraw/zinc/18/05/06/483180506.db2.gz IGJBJFQACBMYHP-ZNMIVQPWSA-N 2 0 296.459 1.691 10 0 CDAERP c1ccc(C[N@@H+]2CC[C@@H](N3C[C@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC000090320282 483228286 /nfs/dbraw/zinc/22/82/86/483228286.db2.gz MBWKARUJRMOLOW-IXDOHACOSA-N 2 0 271.408 1.412 10 0 CDAERP Cn1cncc1CCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000315028152 483303628 /nfs/dbraw/zinc/30/36/28/483303628.db2.gz GJUFYCORNDCRLS-GDBMZVCRSA-N 2 0 276.428 1.817 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)NCCC[NH+]1CCCCC1 ZINC000136310527 483388716 /nfs/dbraw/zinc/38/87/16/483388716.db2.gz DHFYHHBZGUWDFI-CYBMUJFWSA-N 2 0 255.406 1.352 10 0 CDAERP C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000667762658 483416363 /nfs/dbraw/zinc/41/63/63/483416363.db2.gz IEPCFQURMXGTAC-CYBMUJFWSA-N 2 0 276.384 1.622 10 0 CDAERP C[N@H+](CCCCO)Cc1ccnn1-c1cc[nH+]cc1 ZINC000668045692 483547371 /nfs/dbraw/zinc/54/73/71/483547371.db2.gz XNGDHGOOJASYFN-UHFFFAOYSA-N 2 0 260.341 1.472 10 0 CDAERP C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)CC(C)(C)CO ZINC000668207334 483616703 /nfs/dbraw/zinc/61/67/03/483616703.db2.gz HPOCRBPKFKSFTB-UHFFFAOYSA-N 2 0 274.368 1.718 10 0 CDAERP C[C@H](C[NH2+]CCC1CC1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001483156632 1160774837 /nfs/dbraw/zinc/77/48/37/1160774837.db2.gz QBGCROJXDSDXJF-CYBMUJFWSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H](CNC(=O)C[NH+](C)C1CCC1)[N@@H+](C)CC[C@H](C)F ZINC001409562359 1160850871 /nfs/dbraw/zinc/85/08/71/1160850871.db2.gz IIHJFDGFGREJOM-QWHCGFSZSA-N 2 0 287.423 1.655 10 0 CDAERP CC(C)[NH2+]Cc1ccnc(N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000062971128 519727638 /nfs/dbraw/zinc/72/76/38/519727638.db2.gz ZQRMXYFGZRJTLJ-CQSZACIVSA-N 2 0 262.401 1.720 10 0 CDAERP CCC[NH+]1CCN(C[C@@H]2CC[C@@H](C[NH2+]CC)O2)CC1 ZINC000052422016 519858488 /nfs/dbraw/zinc/85/84/88/519858488.db2.gz GQXAXDBHDSSDLD-GJZGRUSLSA-N 2 0 269.433 1.171 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000061292609 519904471 /nfs/dbraw/zinc/90/44/71/519904471.db2.gz CVILNIQSECEVMH-UHFFFAOYSA-N 2 0 255.406 1.364 10 0 CDAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCCNC1=O ZINC000054628543 519908973 /nfs/dbraw/zinc/90/89/73/519908973.db2.gz UBJGJIPOSYMXMH-WTUNAVPPSA-N 2 0 265.401 1.260 10 0 CDAERP CC[NH2+]CC1(CN2CC[NH+](CC)CC2)CCOCC1 ZINC000052180613 519914149 /nfs/dbraw/zinc/91/41/49/519914149.db2.gz IDJYTWMOGJMGIZ-UHFFFAOYSA-N 2 0 269.433 1.030 10 0 CDAERP CCC[NH2+]Cc1cn(CC[N@H+](C)[C@H](C)CCC)nn1 ZINC000052480662 519962216 /nfs/dbraw/zinc/96/22/16/519962216.db2.gz KOLKHJWVAJOSMQ-CYBMUJFWSA-N 2 0 267.421 1.898 10 0 CDAERP CCC[NH2+][C@H]1CCN(C2CC[NH+](CCC)CC2)C1 ZINC000049557861 520093530 /nfs/dbraw/zinc/09/35/30/520093530.db2.gz DWCQHUZZCPDBTA-AWEZNQCLSA-N 2 0 253.434 1.935 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCCF)C[C@@H]1C ZINC001733336007 1161238283 /nfs/dbraw/zinc/23/82/83/1161238283.db2.gz POIKJCLBOVNTBE-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP CCC[C@H]([NH3+])[C@H](CC)N1CCN(CC[NH+](C)C)CC1 ZINC000061643866 521120584 /nfs/dbraw/zinc/12/05/84/521120584.db2.gz UMNOMJGVPJKEMT-GJZGRUSLSA-N 2 0 270.465 1.072 10 0 CDAERP CCC(CC)[NH2+]C[C@@H](C)N1CCN(CC[NH+](C)C)CC1 ZINC000061655324 521596890 /nfs/dbraw/zinc/59/68/90/521596890.db2.gz NBXVSLFBYLBOKF-OAHLLOKOSA-N 2 0 284.492 1.332 10 0 CDAERP C[NH2+]CC1(CN2CC[NH+](CC(C)C)CC2)CCOCC1 ZINC000055082232 521969127 /nfs/dbraw/zinc/96/91/27/521969127.db2.gz GOFKBWWYFXCWRT-UHFFFAOYSA-N 2 0 283.460 1.276 10 0 CDAERP CC[C@@H](C)C[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000357349320 521999433 /nfs/dbraw/zinc/99/94/33/521999433.db2.gz IPAMGEICIGNVIG-KGLIPLIRSA-N 2 0 271.449 1.715 10 0 CDAERP CC[C@@H](C)[NH+]1CCN([C@H](C)C[NH2+]CCCOC)CC1 ZINC000055075293 522132757 /nfs/dbraw/zinc/13/27/57/522132757.db2.gz UZZQWRLTBXEIJS-HUUCEWRRSA-N 2 0 271.449 1.417 10 0 CDAERP C[NH2+]Cc1sc(N2CC[NH+](CC3CC3)CC2)nc1C ZINC000055002451 522167160 /nfs/dbraw/zinc/16/71/60/522167160.db2.gz JULYDPCOOMBQNK-UHFFFAOYSA-N 2 0 280.441 1.703 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]CC1CC1 ZINC001733144703 1161932658 /nfs/dbraw/zinc/93/26/58/1161932658.db2.gz HGWGALIGWNFECW-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001731639564 1182495962 /nfs/dbraw/zinc/49/59/62/1182495962.db2.gz IEIFOLWSXPCXMU-OAHLLOKOSA-N 2 0 281.444 1.923 10 0 CDAERP C(C[C@@H]1CCCC[NH2+]1)C[NH+]1CCN(C2CC2)CC1 ZINC000050953342 518393383 /nfs/dbraw/zinc/39/33/83/518393383.db2.gz XLVIKZOMMKZCOH-AWEZNQCLSA-N 2 0 251.418 1.689 10 0 CDAERP CC(C)[NH+]1CCN([C@H](C[NH3+])CCc2ccccc2)CC1 ZINC000061624686 519683392 /nfs/dbraw/zinc/68/33/92/519683392.db2.gz TYODZVZFJKDEEV-KRWDZBQOSA-N 2 0 275.440 1.973 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)C1CCC(C[NH3+])CC1 ZINC000055161480 519715717 /nfs/dbraw/zinc/71/57/17/519715717.db2.gz ITJZPIFSPSTJKP-UHFFFAOYSA-N 2 0 283.460 1.798 10 0 CDAERP CC(C)[NH2+]CCC[C@H](C)[NH+]1CCN(c2ncccn2)CC1 ZINC000052418501 519721449 /nfs/dbraw/zinc/72/14/49/519721449.db2.gz GTOSYQIYLUILHP-HNNXBMFYSA-N 2 0 291.443 1.765 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)C2CCC(C[NH3+])CC2)CC1 ZINC000055160910 519723911 /nfs/dbraw/zinc/72/39/11/519723911.db2.gz KYXSLAWUCWHCGQ-UHFFFAOYSA-N 2 0 281.444 1.552 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)[C@@H]2CCC[C@H](C[NH3+])C2)CC1 ZINC000055160901 519724153 /nfs/dbraw/zinc/72/41/53/519724153.db2.gz QKJGMYMCFMWEPA-LSDHHAIUSA-N 2 0 281.444 1.552 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000055160905 519724406 /nfs/dbraw/zinc/72/44/06/519724406.db2.gz QKJGMYMCFMWEPA-HUUCEWRRSA-N 2 0 281.444 1.552 10 0 CDAERP CC(C)[NH2+]Cc1cnc(N2CCC[N@H+](C)CC2)s1 ZINC000054899097 519728566 /nfs/dbraw/zinc/72/85/66/519728566.db2.gz QLYRTEMYTBEBOM-UHFFFAOYSA-N 2 0 268.430 1.783 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)C1CCC(C[NH3+])CC1 ZINC000055162385 519775257 /nfs/dbraw/zinc/77/52/57/519775257.db2.gz CZQCCFUWUAANOE-NRXISQOPSA-N 2 0 283.460 1.844 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000055090766 519846121 /nfs/dbraw/zinc/84/61/21/519846121.db2.gz BLUTXVGFAIFYOD-UONOGXRCSA-N 2 0 267.417 1.495 10 0 CDAERP CCC[NH+]1CCN(C(=O)CCC2CC[NH2+]CC2)CC1 ZINC000050940420 519855249 /nfs/dbraw/zinc/85/52/49/519855249.db2.gz RMHAKIDAFKZILB-UHFFFAOYSA-N 2 0 267.417 1.320 10 0 CDAERP CCC[NH+]1CCN(C[C@H]2CC[C@H](C[NH2+]C(C)C)O2)CC1 ZINC000052422032 519858513 /nfs/dbraw/zinc/85/85/13/519858513.db2.gz REAJWUVKMDRRCR-HZPDHXFCSA-N 2 0 283.460 1.560 10 0 CDAERP CCC[NH+]1CCN(CC[NH2+]CCCCOCC)CC1 ZINC000053344754 519858816 /nfs/dbraw/zinc/85/88/16/519858816.db2.gz DRNDLEDRLJPPQO-UHFFFAOYSA-N 2 0 271.449 1.420 10 0 CDAERP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCC(N)=O ZINC000054602149 519907248 /nfs/dbraw/zinc/90/72/48/519907248.db2.gz ISPQNPRANZFFPU-AGUYFDCRSA-N 2 0 267.417 1.637 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@@H](C[N@@H+]2CCOC[C@@H]2CC)O1 ZINC000052481618 519938441 /nfs/dbraw/zinc/93/84/41/519938441.db2.gz WIMMSPJCUUBZQH-ZNMIVQPWSA-N 2 0 270.417 1.644 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@H](C[NH+]2CCC(OC)CC2)O1 ZINC000052455414 519938903 /nfs/dbraw/zinc/93/89/03/519938903.db2.gz LLDPQPKYHQMJJD-HUUCEWRRSA-N 2 0 270.417 1.644 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000061266065 519960260 /nfs/dbraw/zinc/96/02/60/519960260.db2.gz SCMNTFBNWZOIGI-AWEZNQCLSA-N 2 0 283.460 1.812 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@H](C[N@H+](CC)[C@@H](C)COC)O1 ZINC000052505021 519979394 /nfs/dbraw/zinc/97/93/94/519979394.db2.gz XGEWYPJYTMSUIC-BFHYXJOUSA-N 2 0 258.406 1.500 10 0 CDAERP CC[NH2+]Cc1cn(CC[N@H+](CCOC)[C@H](C)CC)nn1 ZINC000052547341 520014066 /nfs/dbraw/zinc/01/40/66/520014066.db2.gz XQTPTUAJRNBFAK-CYBMUJFWSA-N 2 0 283.420 1.135 10 0 CDAERP CC[NH2+][C@@](C)(CCCN1CC[NH+]([C@@H](C)CC)CC1)C(N)=O ZINC000055070263 520133602 /nfs/dbraw/zinc/13/36/02/520133602.db2.gz LCFWPMBJFPQCGI-HOCLYGCPSA-N 2 0 298.475 1.036 10 0 CDAERP CC[NH+](CC)CCCNC(=O)C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000055123428 520612124 /nfs/dbraw/zinc/61/21/24/520612124.db2.gz VWNZFOCIHSLUPW-UONOGXRCSA-N 2 0 269.433 1.742 10 0 CDAERP CC[NH+](CC)C[C@@H](O)CN[C@H](CC(C)C)C[NH+](C)C ZINC000049555622 520722146 /nfs/dbraw/zinc/72/21/46/520722146.db2.gz DIUDDXHLSLPARW-CABCVRRESA-N 2 0 273.465 1.255 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C2(C[NH3+])CCSCC2)C1 ZINC000062978263 520845232 /nfs/dbraw/zinc/84/52/32/520845232.db2.gz JPSFWAWGKUDYSK-CYBMUJFWSA-N 2 0 271.474 1.627 10 0 CDAERP CC[N@H+](CCN1CCC[NH2+]CC1)Cc1cccs1 ZINC000061275320 521045618 /nfs/dbraw/zinc/04/56/18/521045618.db2.gz KAQFOCWKIXWRBU-UHFFFAOYSA-N 2 0 267.442 1.865 10 0 CDAERP CCOc1cccc(C[NH2+]CCOC)c1OCC[NH+](C)C ZINC000062732764 521361233 /nfs/dbraw/zinc/36/12/33/521361233.db2.gz XEHPLLUTQXJHHM-UHFFFAOYSA-N 2 0 296.411 1.762 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)[C@H]2CC[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000055129417 521555426 /nfs/dbraw/zinc/55/54/26/521555426.db2.gz DHAQEWGRIMSBOH-YDHLFZDLSA-N 2 0 281.444 1.693 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@H]1[C@@H](C)CCC[C@@H]1[NH3+] ZINC000055139776 521655267 /nfs/dbraw/zinc/65/52/67/521655267.db2.gz XLNKKGOLCLUGSX-IHRRRGAJSA-N 2 0 269.433 1.550 10 0 CDAERP CCC[N@H+](CCO)CC1(C[NH2+]CC)CCOCC1 ZINC000052182900 521667072 /nfs/dbraw/zinc/66/70/72/521667072.db2.gz WXVUXFSRMFONIR-UHFFFAOYSA-N 2 0 258.406 1.097 10 0 CDAERP CC[NH+]1CCN(C[C@@H]2CC[C@H](C[NH2+]CC(C)C)O2)CC1 ZINC000052422514 521686245 /nfs/dbraw/zinc/68/62/45/521686245.db2.gz HUQXXTSVIZKQFV-CVEARBPZSA-N 2 0 283.460 1.417 10 0 CDAERP CCc1ccccc1C[NH2+]CCCN1CC[NH+](C)CC1 ZINC000052200410 521839333 /nfs/dbraw/zinc/83/93/33/521839333.db2.gz YEZGEMHQFLQVAF-UHFFFAOYSA-N 2 0 275.440 1.976 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)CC[NH2+]C(C)(C)C ZINC000061645112 521861913 /nfs/dbraw/zinc/86/19/13/521861913.db2.gz CLEPEOILRFMCAB-GFCCVEGCSA-N 2 0 255.406 1.317 10 0 CDAERP CN(C(=O)c1ccc(C[NH+](C)C)nc1)[C@@H]1CCC[N@H+](C)C1 ZINC000339285038 521893357 /nfs/dbraw/zinc/89/33/57/521893357.db2.gz SENSTLHDVWMLPG-OAHLLOKOSA-N 2 0 290.411 1.309 10 0 CDAERP C[NH2+]C(C)(C)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000061317671 521933818 /nfs/dbraw/zinc/93/38/18/521933818.db2.gz BOTGMFQSGFXBOA-GFCCVEGCSA-N 2 0 253.390 1.071 10 0 CDAERP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCCn1ccnc1 ZINC000054629586 521957406 /nfs/dbraw/zinc/95/74/06/521957406.db2.gz KIHQGCNDOMBXIE-GOOCMWNKSA-N 2 0 262.401 1.878 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000237186361 522049379 /nfs/dbraw/zinc/04/93/79/522049379.db2.gz PXOQPHWSLANGHF-QMHWVQJVSA-N 2 0 293.455 1.896 10 0 CDAERP C[NH+](C)[C@@H]1CCN([C@@H](C[NH3+])c2cccc(F)c2)C1 ZINC000062964073 522053187 /nfs/dbraw/zinc/05/31/87/522053187.db2.gz GDQAVTWIFCOGRE-KGLIPLIRSA-N 2 0 251.349 1.461 10 0 CDAERP C[NH2+]C[C@H]1CC[N@H+](CCc2ccc3c(c2)OCCO3)C1 ZINC000053011404 522090781 /nfs/dbraw/zinc/09/07/81/522090781.db2.gz DTGNHYYEBGHIMC-CQSZACIVSA-N 2 0 276.380 1.542 10 0 CDAERP CC[C@@H](C)[NH+]1CCN([C@@](C)(C[NH3+])CCOC)CC1 ZINC000055064440 522132565 /nfs/dbraw/zinc/13/25/65/522132565.db2.gz UWHPQGALDFQFAK-ZIAGYGMSSA-N 2 0 257.422 1.156 10 0 CDAERP C[NH2+]Cc1ccoc1CN1CCC[C@H]1C[NH+](C)C ZINC000061654461 522142520 /nfs/dbraw/zinc/14/25/20/522142520.db2.gz NKJDJGCXKPWXMM-ZDUSSCGKSA-N 2 0 251.374 1.525 10 0 CDAERP C[NH2+]Cc1oc(CN2CCC[N@H+](C)CC2)cc1C ZINC000052424475 522161943 /nfs/dbraw/zinc/16/19/43/522161943.db2.gz QEXFCAFQQSTFRZ-UHFFFAOYSA-N 2 0 251.374 1.445 10 0 CDAERP C[NH2+][C@@H]1CCCCC[C@H]1CN1CCN(CC[NH+](C)C)CC1 ZINC000061653806 522376649 /nfs/dbraw/zinc/37/66/49/522376649.db2.gz FOTMHYBAAFTVFT-DLBZAZTESA-N 2 0 296.503 1.334 10 0 CDAERP CC[C@H]1CC[C@H](O)[C@H]([NH+]2CCN(CC[NH+](C)C)CC2)C1 ZINC000061652704 523204761 /nfs/dbraw/zinc/20/47/61/523204761.db2.gz PHSHPEPIGQRWLQ-XHSDSOJGSA-N 2 0 283.460 1.105 10 0 CDAERP CN(C(=O)CCC1CCC([NH3+])CC1)C1CC[NH+](C)CC1 ZINC000055123286 523796543 /nfs/dbraw/zinc/79/65/43/523796543.db2.gz CIWBGPSKWCZVEW-UHFFFAOYSA-N 2 0 281.444 1.837 10 0 CDAERP C[N@@H+]1CCCN(Cc2occc2C[NH2+]C2CC2)CC1 ZINC000052424175 523810716 /nfs/dbraw/zinc/81/07/16/523810716.db2.gz FELMLKWVLUYWGF-UHFFFAOYSA-N 2 0 263.385 1.669 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C[C@@H](O)c2ccc(C[NH3+])cc2)CC1 ZINC000055064278 523954214 /nfs/dbraw/zinc/95/42/14/523954214.db2.gz MPNOWBSCKLPWOO-WMLDXEAASA-N 2 0 291.439 1.595 10 0 CDAERP C[N@@H+]1CC[C@H](NC(=O)CCC2CCC([NH3+])CC2)C1 ZINC000055139851 523983471 /nfs/dbraw/zinc/98/34/71/523983471.db2.gz GTFSPMZCIZATAE-BPCQOVAHSA-N 2 0 253.390 1.104 10 0 CDAERP COC(=O)[C@](C)([NH3+])CCCCN1CC[NH+](CC(C)C)CC1 ZINC000055081498 524001230 /nfs/dbraw/zinc/00/12/30/524001230.db2.gz XTYXYVLRXRHFJF-MRXNPFEDSA-N 2 0 299.459 1.321 10 0 CDAERP C[NH+](C)C1CCN([C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000069265962 524041236 /nfs/dbraw/zinc/04/12/36/524041236.db2.gz OFERIODJWDSIMC-INIZCTEOSA-N 2 0 259.397 1.857 10 0 CDAERP C[NH+](C)CC(C)(C)C[NH2+]CCOCC(F)(F)F ZINC000049310817 524046548 /nfs/dbraw/zinc/04/65/48/524046548.db2.gz WCKFSBBWYWNTGT-UHFFFAOYSA-N 2 0 256.312 1.743 10 0 CDAERP C[C@H](C[NH+]1CCCC1)NC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000061612850 524313323 /nfs/dbraw/zinc/31/33/23/524313323.db2.gz WHUOTXIOKKOGCK-UKRRQHHQSA-N 2 0 275.396 1.329 10 0 CDAERP C[C@H](C[NH+]1CCCC1)NC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000052882856 524315021 /nfs/dbraw/zinc/31/50/21/524315021.db2.gz BONWDIUWPLGMMH-CZUORRHYSA-N 2 0 275.396 1.461 10 0 CDAERP C[C@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC000055141092 524415307 /nfs/dbraw/zinc/41/53/07/524415307.db2.gz AAFIIQKTWRCLNQ-IHRRRGAJSA-N 2 0 281.444 1.693 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[C@@H](C)[C@@H]([NH3+])C1)[NH+]1CCCCC1 ZINC000055135330 524440878 /nfs/dbraw/zinc/44/08/78/524440878.db2.gz MCFZJHJJTBDTEF-TUVASFSCSA-N 2 0 281.444 1.741 10 0 CDAERP C[C@H]1C[N@H+](CC2(C[NH3+])CCOCC2)CC(C)(C)O1 ZINC000052183165 524587370 /nfs/dbraw/zinc/58/73/70/524587370.db2.gz DFXDFDRLDDCPSH-LBPRGKRZSA-N 2 0 256.390 1.241 10 0 CDAERP C[C@@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)NCC(C)(C)[NH+](C)C ZINC000055141718 524684267 /nfs/dbraw/zinc/68/42/67/524684267.db2.gz SMJHTRURKWLAAA-WOPDTQHZSA-N 2 0 255.406 1.206 10 0 CDAERP C[C@@H]1[C@@H]([NH3+])CCC[C@@H]1C(=O)NCC(C)(C)C[NH+](C)C ZINC000055125298 525663929 /nfs/dbraw/zinc/66/39/29/525663929.db2.gz HMWNCRQOIGJOFX-AVGNSLFASA-N 2 0 269.433 1.454 10 0 CDAERP C[C@@]1(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC[NH2+]C1 ZINC000261990654 525830853 /nfs/dbraw/zinc/83/08/53/525830853.db2.gz KGSMTNHCGGRVSN-GOEBONIOSA-N 2 0 279.428 1.320 10 0 CDAERP NC(=[NH2+])c1cc(OCC[NH+]2CCCC2)nc2ccccc21 ZINC000068798295 526820981 /nfs/dbraw/zinc/82/09/81/526820981.db2.gz SROCVTIFGNOAPL-UHFFFAOYSA-N 2 0 284.363 1.993 10 0 CDAERP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@H]1CCC[NH2+]1 ZINC000246539652 526921358 /nfs/dbraw/zinc/92/13/58/526921358.db2.gz JMPNNHCNHHZHHA-ZIAGYGMSSA-N 2 0 265.401 1.119 10 0 CDAERP [NH3+]C1CCC([NH2+]Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000051693074 527142017 /nfs/dbraw/zinc/14/20/17/527142017.db2.gz UULLDTPTZLXQNZ-UHFFFAOYSA-N 2 0 271.364 1.888 10 0 CDAERP [NH3+]CC1(C[N@H+](CCO)C2CCCCC2)CCOCC1 ZINC000052183195 527163941 /nfs/dbraw/zinc/16/39/41/527163941.db2.gz XIOOLZDJDCIFJB-UHFFFAOYSA-N 2 0 270.417 1.369 10 0 CDAERP CCO[C@@H]1C[C@H](O)C12CC[NH+](CCC[NH+]1CCCC1)CC2 ZINC000119058653 535520458 /nfs/dbraw/zinc/52/04/58/535520458.db2.gz RIFRTNXAHDKQRD-JKSUJKDBSA-N 2 0 296.455 1.724 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H](C)[NH+](C)C1CC1 ZINC000245461506 535586337 /nfs/dbraw/zinc/58/63/37/535586337.db2.gz FYLYTNWXCOURJC-ZFWWWQNUSA-N 2 0 296.459 1.595 10 0 CDAERP CC[C@](C)(O)C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000435911546 535845819 /nfs/dbraw/zinc/84/58/19/535845819.db2.gz NFZKZLPFNYYFND-KRWDZBQOSA-N 2 0 297.487 1.638 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000422800966 536596195 /nfs/dbraw/zinc/59/61/95/536596195.db2.gz ASPNUCAOESTHAJ-MRXNPFEDSA-N 3 0 279.428 1.592 10 0 CDAERP COCC[N@H+](C)CCCN[C@H](C)c1c[nH+]ccc1N ZINC000422850527 536798551 /nfs/dbraw/zinc/79/85/51/536798551.db2.gz VZKCOOSPSUCKDE-GFCCVEGCSA-N 2 0 266.389 1.113 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000422838800 536850334 /nfs/dbraw/zinc/85/03/34/536850334.db2.gz YECIUXYDVGANAH-HOTGVXAUSA-N 2 0 291.439 1.856 10 0 CDAERP [NH3+]Cc1ccc(-c2noc([C@H]3CC34C[NH2+]C4)n2)cc1 ZINC000647158944 545501939 /nfs/dbraw/zinc/50/19/39/545501939.db2.gz ZYTILHIEMQEIMH-LLVKDONJSA-N 2 0 256.309 1.272 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC000729699689 574821352 /nfs/dbraw/zinc/82/13/52/574821352.db2.gz IJXLKGCICBEQJB-AWEZNQCLSA-N 2 0 267.417 1.463 10 0 CDAERP Cc1nn(C)c2sc([C@H]3[NH2+]CCC[C@@H]3C[NH3+])cc12 ZINC000757207147 574904695 /nfs/dbraw/zinc/90/46/95/574904695.db2.gz BARUIZOPRYEWPM-SKDRFNHKSA-N 2 0 264.398 1.943 10 0 CDAERP C[C@H]1CN(C)C[C@H]1[NH2+]CCc1ccc(Cl)nc1 ZINC000760703114 576503215 /nfs/dbraw/zinc/50/32/15/576503215.db2.gz XGYFUFXRXLXIEL-CMPLNLGQSA-N 2 0 253.777 1.817 10 0 CDAERP CC1CC[NH+](CC(=O)NC[C@H]2C[C@H]([NH2+]CCCF)C2)CC1 ZINC001688948510 1175074992 /nfs/dbraw/zinc/07/49/92/1175074992.db2.gz PLOWEKCFLWOTOK-SHTZXODSSA-N 2 0 299.434 1.562 10 0 CDAERP C[NH+](C)CC1(C(=O)NCCC[N@H+](C)CC2CC2)CC1 ZINC001689830951 1175278566 /nfs/dbraw/zinc/27/85/66/1175278566.db2.gz XXZNDESDMJNJFB-UHFFFAOYSA-N 2 0 267.417 1.176 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001690108810 1175376689 /nfs/dbraw/zinc/37/66/89/1175376689.db2.gz STBIGFXRXYAWPY-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP CO[C@@H](C)c1noc(CN(C)CCCCCC[NH3+])n1 ZINC000846219091 617395818 /nfs/dbraw/zinc/39/58/18/617395818.db2.gz FZSAZKZRFQIOQF-NSHDSACASA-N 2 0 270.377 1.728 10 0 CDAERP [NH3+][C@H]1C[C@H]([NH2+]CCN2CCc3ccccc3C2)C12CCC2 ZINC000925526121 617448138 /nfs/dbraw/zinc/44/81/38/617448138.db2.gz GZSHUNPITBHEDQ-IRXDYDNUSA-N 2 0 285.435 1.904 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccccc2)C12CCC2 ZINC000925533099 617465301 /nfs/dbraw/zinc/46/53/01/617465301.db2.gz JDPJCGWWCTYZNA-YUELXQCFSA-N 2 0 276.380 1.286 10 0 CDAERP CC1(C)[C@H](NCC[NH+]2CCCCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925533945 617468240 /nfs/dbraw/zinc/46/82/40/617468240.db2.gz QZQHZTDCZOEXBE-QLFBSQMISA-N 2 0 265.445 1.839 10 0 CDAERP C(COC[C@H]1CCOC1)[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925567913 617516316 /nfs/dbraw/zinc/51/63/16/617516316.db2.gz RQDMUURZTYVKIG-XIRDDKMYSA-N 2 0 296.455 1.797 10 0 CDAERP Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)CC2 ZINC000925575347 617522787 /nfs/dbraw/zinc/52/27/87/617522787.db2.gz FTBWFJVLZXEFPK-JHJVBQTASA-N 2 0 277.416 1.397 10 0 CDAERP COC[C@](C)(O)C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925614646 617559267 /nfs/dbraw/zinc/55/92/67/617559267.db2.gz ZHKLTZCMGGBJEP-SOUVJXGZSA-N 2 0 270.417 1.142 10 0 CDAERP CC[C@H](C[C@H](C)O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000926816511 617594327 /nfs/dbraw/zinc/59/43/27/617594327.db2.gz NIGCHOGCFLFXDX-BLNMRFBMSA-N 2 0 284.444 1.767 10 0 CDAERP CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925664828 617615292 /nfs/dbraw/zinc/61/52/92/617615292.db2.gz BEMGPOQZMADPIF-ZOBORPQBSA-N 2 0 286.460 1.640 10 0 CDAERP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925777432 617675127 /nfs/dbraw/zinc/67/51/27/617675127.db2.gz DOWOBWKMPQBMNF-RYUDHWBXSA-N 2 0 291.386 1.468 10 0 CDAERP CC(C)NC(=O)[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925689740 617688523 /nfs/dbraw/zinc/68/85/23/617688523.db2.gz JLPCALUCCQJARE-SRVKXCTJSA-N 2 0 255.406 1.395 10 0 CDAERP C(C[C@@H]1CC[NH2+]C1)[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925694708 617715018 /nfs/dbraw/zinc/71/50/18/617715018.db2.gz SCYOBCVHGURIRP-BPUTZDHNSA-N 3 0 265.445 1.744 10 0 CDAERP COc1cc([C@H](C)[NH2+]CCN2CCC([NH3+])CC2)ccc1F ZINC000925814098 617760480 /nfs/dbraw/zinc/76/04/80/617760480.db2.gz FSAGVKOLUCIYRD-LBPRGKRZSA-N 2 0 295.402 1.908 10 0 CDAERP C[C@H](N[C@@H](CC[NH+](C)C)c1cccnc1)C1C[NH2+]C1 ZINC000925826578 617832763 /nfs/dbraw/zinc/83/27/63/617832763.db2.gz IDZFLPZUVAWXLR-WFASDCNBSA-N 2 0 262.401 1.272 10 0 CDAERP CO[C@H](C)[C@H](C)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925847481 617883464 /nfs/dbraw/zinc/88/34/64/617883464.db2.gz YAJHAEBSTMTKCZ-UONOGXRCSA-N 2 0 257.422 1.075 10 0 CDAERP CN(CC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)CC(F)F ZINC000925726156 617957245 /nfs/dbraw/zinc/95/72/45/617957245.db2.gz ZTAAIMVKXRTMSN-ZIAGYGMSSA-N 2 0 289.414 1.941 10 0 CDAERP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)[C@H]1C ZINC000925880383 617959368 /nfs/dbraw/zinc/95/93/68/617959368.db2.gz QMMIRWDUHQJZFM-NDKCEZKHSA-N 2 0 268.401 1.681 10 0 CDAERP C[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@@H]([NH2+]2)[C@@H]1C)C1CC[NH2+]CC1 ZINC000925726944 617969995 /nfs/dbraw/zinc/96/99/95/617969995.db2.gz ARPHPXBGJWZKDJ-XSXPHNMFSA-N 3 0 251.418 1.493 10 0 CDAERP [NH3+]CC[C@H]1CCCCN1C(=O)C=C1CC[NH2+]CC1 ZINC000852880693 617992083 /nfs/dbraw/zinc/99/20/83/617992083.db2.gz OFFGXBLTAJVJCB-CYBMUJFWSA-N 2 0 251.374 1.026 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](CO)Cc2ccc(F)cc2)C12CCC2 ZINC000925506008 618178691 /nfs/dbraw/zinc/17/86/91/618178691.db2.gz VMCBCGRRSWNHLM-BMFZPTHFSA-N 2 0 292.398 1.836 10 0 CDAERP C[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)CN1CCOCC1 ZINC000925507587 618193048 /nfs/dbraw/zinc/19/30/48/618193048.db2.gz AQGJETLPRLBYAZ-KFWWJZLASA-N 2 0 283.460 1.450 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](O)c1cccc(C)c1 ZINC000817909975 618486751 /nfs/dbraw/zinc/48/67/51/618486751.db2.gz FUMXTDRIRBWWMJ-HUUCEWRRSA-N 2 0 266.385 1.372 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000817924256 618489488 /nfs/dbraw/zinc/48/94/88/618489488.db2.gz HEJUDAZLAOXUNU-OAHLLOKOSA-N 2 0 280.412 1.758 10 0 CDAERP CC(C)[C@H]1COCC[C@@H]1[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000924991207 618556419 /nfs/dbraw/zinc/55/64/19/618556419.db2.gz ITVQUMZQZHGBFP-OAGGEKHMSA-N 2 0 283.460 1.273 10 0 CDAERP COC(=O)[C@H]1[C@H](C[NH2+]CC2(N(C)C)CCC2)C1(F)F ZINC000894532690 618945111 /nfs/dbraw/zinc/94/51/11/618945111.db2.gz DNXFHTMSLBLGAO-VHSXEESVSA-N 2 0 276.327 1.115 10 0 CDAERP COC(=O)[C@@H]1[C@@H](CN2CCC[C@H]([NH+](C)C)CC2)C1(F)F ZINC000894566306 618966067 /nfs/dbraw/zinc/96/60/67/618966067.db2.gz LXMIUWSNQFNYIE-TUAOUCFPSA-N 2 0 290.354 1.457 10 0 CDAERP COC(=O)[C@@H]1[C@@H](C[NH2+]Cc2ccc3c[nH+]cn3c2)C1(F)F ZINC000894983895 619184045 /nfs/dbraw/zinc/18/40/45/619184045.db2.gz TUWZIMAGUPRICW-NEPJUHHUSA-N 2 0 295.289 1.478 10 0 CDAERP COC(=O)[C@@H]1[C@H](C[NH2+]C[C@H]2CCCC[N@H+](C)C2)C1(F)F ZINC000895392404 619627598 /nfs/dbraw/zinc/62/75/98/619627598.db2.gz PHTSVLVQSHVNOU-WOPDTQHZSA-N 2 0 290.354 1.362 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])NCCC1CC1 ZINC000864458522 620926300 /nfs/dbraw/zinc/92/63/00/620926300.db2.gz MRGPNSLPQCJGSQ-CYBMUJFWSA-N 2 0 252.406 1.775 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCC2(CCOCC2)O1 ZINC000927019713 621655538 /nfs/dbraw/zinc/65/55/38/621655538.db2.gz SUYSFFICVATKBA-IUOOZAAYSA-N 2 0 294.439 1.644 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CCOC12CCOCC2)C[NH+]1CCCC1 ZINC000924713799 621696485 /nfs/dbraw/zinc/69/64/85/621696485.db2.gz GGIZELUZPRETJP-HUUCEWRRSA-N 2 0 282.428 1.646 10 0 CDAERP C[C@H](CNC(=[NH2+])N[C@@H](C)C1CC1)C[NH+]1CCCC1 ZINC000899265014 622129029 /nfs/dbraw/zinc/12/90/29/622129029.db2.gz QHHJVLDWQLTPPN-NEPJUHHUSA-N 2 0 252.406 1.631 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)C12CC[NH+](CC1)C2)c1ccccc1 ZINC000899942634 622563631 /nfs/dbraw/zinc/56/36/31/622563631.db2.gz SREHBUFDFROWMS-OAHLLOKOSA-N 2 0 287.407 1.501 10 0 CDAERP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+]3CCSC[C@@H]23)CC[N@@H+]1C ZINC000900515359 623177773 /nfs/dbraw/zinc/17/77/73/623177773.db2.gz IHFWFVUAVZQNDY-SYQHCUMBSA-N 2 0 297.468 1.023 10 0 CDAERP C[NH+](C)CCCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000900689354 623375442 /nfs/dbraw/zinc/37/54/42/623375442.db2.gz JQCSGBGWZUYLKF-KBPBESRZSA-N 2 0 267.417 1.461 10 0 CDAERP CN(CCCC[NH+](C)C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000900768826 623457197 /nfs/dbraw/zinc/45/71/97/623457197.db2.gz IVYRYICJCQADNB-LSDHHAIUSA-N 2 0 281.444 1.804 10 0 CDAERP COC[C@@H](CO)[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000902975924 625713609 /nfs/dbraw/zinc/71/36/09/625713609.db2.gz KRZNLCYNLSMLCP-GXTWGEPZSA-N 2 0 275.352 1.530 10 0 CDAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902461242 624850966 /nfs/dbraw/zinc/85/09/66/624850966.db2.gz MXUCVXJVEVLBER-QRLYYMKJSA-N 2 0 299.418 1.725 10 0 CDAERP C([NH2+][C@H]1CCO[C@]12CCOC2)C1CC[NH+](CC2CC2)CC1 ZINC000903205010 625898204 /nfs/dbraw/zinc/89/82/04/625898204.db2.gz AIKXNPROOKXLKP-IRXDYDNUSA-N 2 0 294.439 1.646 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)C[C@H](O)COCc1ccccc1 ZINC000903432421 625990376 /nfs/dbraw/zinc/99/03/76/625990376.db2.gz BFJHDHUNZOGBLE-PVAVHDDUSA-N 2 0 292.423 1.351 10 0 CDAERP CCOC(=O)[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903455551 626002157 /nfs/dbraw/zinc/00/21/57/626002157.db2.gz ZTBMDAFZDNPNBT-UPJWGTAASA-N 2 0 254.374 1.389 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000903457472 626002504 /nfs/dbraw/zinc/00/25/04/626002504.db2.gz UFXVQACHXADBKP-PNBKFKSVSA-N 2 0 277.456 1.791 10 0 CDAERP C[C@]1(C2CC[NH+](CCCCCC[NH3+])CC2)COC(=O)N1 ZINC000903564245 626020769 /nfs/dbraw/zinc/02/07/69/626020769.db2.gz RSWOJJGVBKFVJK-OAHLLOKOSA-N 2 0 283.416 1.716 10 0 CDAERP COc1ccc([C@H](C[NH3+])CN2C[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000903556804 626024639 /nfs/dbraw/zinc/02/46/39/626024639.db2.gz FKFPSTFKWAOUDL-UKRRQHHQSA-N 2 0 277.412 1.407 10 0 CDAERP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903784442 626093684 /nfs/dbraw/zinc/09/36/84/626093684.db2.gz OUTDMSSPJALQTQ-ZACQAIPSSA-N 3 0 293.455 1.221 10 0 CDAERP CCOC(=O)[C@H]1CSCCN1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903878850 626129959 /nfs/dbraw/zinc/12/99/59/626129959.db2.gz LLSBUZFRRJQEQP-WTUNAVPPSA-N 2 0 298.452 1.498 10 0 CDAERP CC[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)C[C@H]1CCOC1 ZINC000903883901 626132514 /nfs/dbraw/zinc/13/25/14/626132514.db2.gz LQRPQQRBQCQEIV-KGLIPLIRSA-N 2 0 293.415 1.061 10 0 CDAERP CCOC(=O)C[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC000903885058 626132904 /nfs/dbraw/zinc/13/29/04/626132904.db2.gz CBMQWXQTBKHVBX-AGUYFDCRSA-N 2 0 268.401 1.791 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@H+](C)C[C@H]2CCCCO2)cnn1C ZINC000903887050 626134115 /nfs/dbraw/zinc/13/41/15/626134115.db2.gz WYQJAVHTLINGBE-GDBMZVCRSA-N 2 0 294.443 1.347 10 0 CDAERP CC(C)OCCN1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903895213 626136025 /nfs/dbraw/zinc/13/60/25/626136025.db2.gz LNKUFWXPOHPXBK-ALOPSCKCSA-N 2 0 295.471 1.560 10 0 CDAERP COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903912507 626144807 /nfs/dbraw/zinc/14/48/07/626144807.db2.gz GBMLJJFEYZUTKX-USLFZFAMSA-N 2 0 292.423 1.791 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[NH2+]CCc2ccccn2)cnn1C ZINC000903924897 626148591 /nfs/dbraw/zinc/14/85/91/626148591.db2.gz JQYORYUNPOKCBK-AWEZNQCLSA-N 2 0 287.411 1.073 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)C[C@H]2CC2(C)C)cnn1C ZINC000903933012 626152800 /nfs/dbraw/zinc/15/28/00/626152800.db2.gz JSLRRGMXMBWGCY-DZGCQCFKSA-N 2 0 278.444 1.824 10 0 CDAERP COC[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCOC1 ZINC000903959522 626159492 /nfs/dbraw/zinc/15/94/92/626159492.db2.gz JHIJPSAXDGMOFM-USNXZVQNSA-N 2 0 282.428 1.548 10 0 CDAERP CC(C)C[C@@H]([NH3+])CN1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903959536 626159513 /nfs/dbraw/zinc/15/95/13/626159513.db2.gz JKBWSQPYUNVRPJ-HUUCEWRRSA-N 2 0 253.434 1.825 10 0 CDAERP C[C@@H]1C[C@H](CN2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)CC[NH2+]1 ZINC000903983207 626168163 /nfs/dbraw/zinc/16/81/63/626168163.db2.gz CQWIQEUNIIUQMH-KKOKHZNYSA-N 3 0 279.350 1.586 10 0 CDAERP C[C@@]1(C[NH+]2CCC([C@@]3(C)COC(=O)N3)CC2)CC[NH2+]C1 ZINC000903985923 626173863 /nfs/dbraw/zinc/17/38/63/626173863.db2.gz CUFKXTXABLVHES-HUUCEWRRSA-N 2 0 281.400 1.197 10 0 CDAERP [NH2+]=C(NCc1ccc2c[nH+]cn2c1)NC[C@H]1CCCS1 ZINC000905042848 626382217 /nfs/dbraw/zinc/38/22/17/626382217.db2.gz ICROJPIEABEXEG-CYBMUJFWSA-N 2 0 289.408 1.844 10 0 CDAERP C[N@H+](CCNC(=[NH2+])NC[C@@H]1CCCS1)C1CCCC1 ZINC000905043502 626382349 /nfs/dbraw/zinc/38/23/49/626382349.db2.gz VVPICYYDTJZYBA-ZDUSSCGKSA-N 2 0 284.473 1.870 10 0 CDAERP C[N@@H+]1CCC[C@H](CCNC(=[NH2+])NC[C@H]2CCCS2)C1 ZINC000905044909 626383963 /nfs/dbraw/zinc/38/39/63/626383963.db2.gz WDOUKMLSRRCUOC-CHWSQXEVSA-N 2 0 284.473 1.728 10 0 CDAERP CC(C)[C@H](c1nc(CC2CC[NH2+]CC2)no1)[C@H](C)[NH3+] ZINC000905309548 626758707 /nfs/dbraw/zinc/75/87/07/626758707.db2.gz YCJLTVJGOLIJCN-GWCFXTLKSA-N 2 0 266.389 1.699 10 0 CDAERP CN(CC[N@H+](C)C1CC1)C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC000907447594 627677267 /nfs/dbraw/zinc/67/72/67/627677267.db2.gz IPDKBMITZPVAJQ-LSDHHAIUSA-N 2 0 279.428 1.556 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CC([NH+](C)C)C1 ZINC000908009235 627970156 /nfs/dbraw/zinc/97/01/56/627970156.db2.gz BTZRTOXHGFVRJR-BPCQOVAHSA-N 2 0 253.390 1.070 10 0 CDAERP CCCN(CC[NH+]1CCCCC1)C(=O)C12CC[NH+](CC1)C2 ZINC000908157621 628046757 /nfs/dbraw/zinc/04/67/57/628046757.db2.gz WWQXOVZKYVQIHZ-UHFFFAOYSA-N 2 0 293.455 1.807 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)[NH+](C)C ZINC000911559866 629322727 /nfs/dbraw/zinc/32/27/27/629322727.db2.gz PRYNLAZAGRJRHH-YNEHKIRRSA-N 2 0 253.390 1.070 10 0 CDAERP O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000911582115 629339576 /nfs/dbraw/zinc/33/95/76/629339576.db2.gz LSCQOAIFCFYFHL-JONQDZQNSA-N 2 0 291.439 1.746 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@]1(C)C[NH+]2CCC1CC2 ZINC000912379262 629951784 /nfs/dbraw/zinc/95/17/84/629951784.db2.gz MXERDWMRBHWTBA-XJKCOSOUSA-N 2 0 279.428 1.460 10 0 CDAERP CC(C)[C@@H](C(=O)N1CC[C@H]([NH+]2CCC2)C1)[NH+]1CCCCC1 ZINC000912918578 630288557 /nfs/dbraw/zinc/28/85/57/630288557.db2.gz GFGHIRAWFGHKJT-HOTGVXAUSA-N 2 0 293.455 1.804 10 0 CDAERP COC/C(C)=C/C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000930059250 632501491 /nfs/dbraw/zinc/50/14/91/632501491.db2.gz BRUGEIXHVHFILD-JYYYYETFSA-N 2 0 282.428 1.763 10 0 CDAERP CCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C ZINC001266481220 1158555917 /nfs/dbraw/zinc/55/59/17/1158555917.db2.gz LYWXLTZYHOLOKN-OWCLPIDISA-N 2 0 293.455 1.946 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001671298348 1158619670 /nfs/dbraw/zinc/61/96/70/1158619670.db2.gz QLUXPRLKMQNMJN-JKSUJKDBSA-N 2 0 293.455 1.709 10 0 CDAERP C[NH+](C)CCCCC(=O)NC[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001691166176 1158941819 /nfs/dbraw/zinc/94/18/19/1158941819.db2.gz OGMXSPKNUVEQGM-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CCCC[NH+](C)C)C1 ZINC001731559762 1159305395 /nfs/dbraw/zinc/30/53/95/1159305395.db2.gz RMTJFMOJCDOAML-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)c1nccn1CC(=O)N[C@H](C)C[NH2+]CC[C@@H](C)F ZINC001268665112 1160002933 /nfs/dbraw/zinc/00/29/33/1160002933.db2.gz ZWDPDPCHTRABRQ-CHWSQXEVSA-N 2 0 298.406 1.849 10 0 CDAERP COCCC[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001566813601 1168431943 /nfs/dbraw/zinc/43/19/43/1168431943.db2.gz IGLMHTIBEAWJDO-SHTZXODSSA-N 2 0 297.443 1.136 10 0 CDAERP [NH3+][C@H]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC001647229668 1168470903 /nfs/dbraw/zinc/47/09/03/1168470903.db2.gz KHPAXJUAGQMVHF-GJZGRUSLSA-N 2 0 273.380 1.788 10 0 CDAERP Cc1n[nH]c(=O)c(CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)c1C ZINC001647310944 1168549686 /nfs/dbraw/zinc/54/96/86/1168549686.db2.gz DQEICFVVFIWMOX-GFCCVEGCSA-N 2 0 278.400 1.761 10 0 CDAERP C[N@H+](CC(=O)N1CC[C@@H](C[NH2+]C/C=C\Cl)C1)C1CCC1 ZINC001567128892 1168588204 /nfs/dbraw/zinc/58/82/04/1168588204.db2.gz XCVWOOCHZHNCJD-QTEJZOKPSA-N 2 0 299.846 1.661 10 0 CDAERP CCC(CC)C[NH2+]CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001567496201 1168814342 /nfs/dbraw/zinc/81/43/42/1168814342.db2.gz CTEWDOMLKAFATF-MRXNPFEDSA-N 2 0 295.471 1.812 10 0 CDAERP CC/C=C\CC[NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001569267347 1169742191 /nfs/dbraw/zinc/74/21/91/1169742191.db2.gz RYFMJNKYDUMJNF-YVACAVLKSA-N 2 0 281.444 1.733 10 0 CDAERP CCCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001570606799 1170207809 /nfs/dbraw/zinc/20/78/09/1170207809.db2.gz CEHYBZVHLTVJJU-QWHCGFSZSA-N 2 0 269.433 1.754 10 0 CDAERP CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001661653855 1172423137 /nfs/dbraw/zinc/42/31/37/1172423137.db2.gz MIBPRLIACGLGTH-TXEJJXNPSA-N 2 0 255.406 1.221 10 0 CDAERP CCN1CC[C@@H]1C(=O)N(CC[NH+](C)C)C1CCCC1 ZINC001585121342 1172878128 /nfs/dbraw/zinc/87/81/28/1172878128.db2.gz BADBAYSXYFCVJZ-CQSZACIVSA-N 2 0 267.417 1.413 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC/C=C\C[NH2+]CCF ZINC001669200334 1173517300 /nfs/dbraw/zinc/51/73/00/1173517300.db2.gz CUUJJODVYGVHRJ-FGTRRKKMSA-N 2 0 271.380 1.091 10 0 CDAERP CCC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001671564493 1173690268 /nfs/dbraw/zinc/69/02/68/1173690268.db2.gz QCDOKUICKMDLEI-GJZGRUSLSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@H](CCC[NH2+]C/C=C/Cl)NC(=O)C12CC[NH+](CC1)C2 ZINC001676005675 1174172427 /nfs/dbraw/zinc/17/24/27/1174172427.db2.gz MDCFJXPFLVGPBP-LPZVBRGNSA-N 2 0 299.846 1.709 10 0 CDAERP CCCCC[NH2+]C1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001677444850 1174361657 /nfs/dbraw/zinc/36/16/57/1174361657.db2.gz IGLSFHYEZXVXBQ-UHFFFAOYSA-N 2 0 281.444 1.851 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCF ZINC001690464112 1175477725 /nfs/dbraw/zinc/47/77/25/1175477725.db2.gz NSRMOUKAPMFESV-STQMWFEESA-N 2 0 271.380 1.021 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NCCC[C@@H]2CCC[NH+]2CCF)C1 ZINC001690914693 1175606675 /nfs/dbraw/zinc/60/66/75/1175606675.db2.gz JRGJKNPQWRSBLF-LSDHHAIUSA-N 2 0 299.434 1.659 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@@](C)(C[NH2+]CCF)C2CC2)CC[N@@H+]1C ZINC001698673150 1175892534 /nfs/dbraw/zinc/89/25/34/1175892534.db2.gz KPZCGJJMHLXDAB-XEZPLFJOSA-N 2 0 299.434 1.561 10 0 CDAERP CC[NH2+]C[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001698764027 1175923125 /nfs/dbraw/zinc/92/31/25/1175923125.db2.gz ZVRLSQLMXHEVEC-LBPRGKRZSA-N 2 0 255.406 1.223 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CCc1cccs1)[NH+](C)C ZINC001699422902 1176388292 /nfs/dbraw/zinc/38/82/92/1176388292.db2.gz QTSQVTSQUDJJNS-JSGCOSHPSA-N 2 0 297.468 1.725 10 0 CDAERP CN(CCC[NH2+]Cc1nccs1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001699500165 1176449474 /nfs/dbraw/zinc/44/94/74/1176449474.db2.gz NQSJRVBDUUEIKP-LBPRGKRZSA-N 2 0 296.440 1.175 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001699757684 1176609518 /nfs/dbraw/zinc/60/95/18/1176609518.db2.gz BRNBKJHDXNXADL-UONOGXRCSA-N 2 0 269.433 1.563 10 0 CDAERP C[NH+](C)CCCC(=O)N1CCC[C@H]1C[NH2+]C/C=C/Cl ZINC001699757569 1176609538 /nfs/dbraw/zinc/60/95/38/1176609538.db2.gz WSOHTAZZCIOACA-LJLILKBBSA-N 2 0 287.835 1.661 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001699966514 1176700309 /nfs/dbraw/zinc/70/03/09/1176700309.db2.gz BWISTKYJTWBDBR-UONOGXRCSA-N 2 0 269.433 1.278 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CCC1 ZINC001700142400 1176768052 /nfs/dbraw/zinc/76/80/52/1176768052.db2.gz UDMIIRCUBSTCAD-UHFFFAOYSA-N 2 0 279.428 1.511 10 0 CDAERP CCCC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001700267289 1176824811 /nfs/dbraw/zinc/82/48/11/1176824811.db2.gz MPPLHJJNTZTUFG-UONOGXRCSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1[NH2+]CC1CC1 ZINC001700273898 1176827393 /nfs/dbraw/zinc/82/73/93/1176827393.db2.gz KGKKDHLTSHSUOF-ZFWWWQNUSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H](F)CC[NH2+]CC1CC(NC(=O)CC[NH+](C)C)C1 ZINC001700378740 1176884340 /nfs/dbraw/zinc/88/43/40/1176884340.db2.gz WRERWTRVSDTADM-PNESKVBLSA-N 2 0 273.396 1.171 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CCCF ZINC001700780376 1177130046 /nfs/dbraw/zinc/13/00/46/1177130046.db2.gz KZCQVUKGYPAOBV-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)CCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001700820422 1177149513 /nfs/dbraw/zinc/14/95/13/1177149513.db2.gz BTNHDQPOFABNRG-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001707063936 1177936223 /nfs/dbraw/zinc/93/62/23/1177936223.db2.gz TVAZLKVMYRZMOV-GJZGRUSLSA-N 2 0 281.444 1.661 10 0 CDAERP [NH3+][C@H]1CCCC[C@H]1C(=O)NCC[NH2+]C1CCCCCC1 ZINC000159695814 1178247187 /nfs/dbraw/zinc/24/71/87/1178247187.db2.gz DEUKZPLVJLRLII-CABCVRRESA-N 2 0 281.444 1.933 10 0 CDAERP CC(C)C[N@H+](CCCNC(=O)Cc1cncn1C)C1CC1 ZINC001713048036 1178330435 /nfs/dbraw/zinc/33/04/35/1178330435.db2.gz JCCFXKLHDYQLIH-UHFFFAOYSA-N 2 0 292.427 1.589 10 0 CDAERP C[NH+]1CCC(CC(=O)N2CCC[C@@H](C[NH2+]CCF)C2)CC1 ZINC001713241017 1178448273 /nfs/dbraw/zinc/44/82/73/1178448273.db2.gz VJPATTMANRFYDY-HNNXBMFYSA-N 2 0 299.434 1.516 10 0 CDAERP CC(C)CC[NH2+][C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001713316716 1178493417 /nfs/dbraw/zinc/49/34/17/1178493417.db2.gz XOHMYFWZKPITCQ-CYBMUJFWSA-N 2 0 269.433 1.611 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001713360413 1178520008 /nfs/dbraw/zinc/52/00/08/1178520008.db2.gz IJZBSNKKFVNPQE-CABCVRRESA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)C[N@H+](C)CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001713456464 1178575142 /nfs/dbraw/zinc/57/51/42/1178575142.db2.gz PTSOMFMIGOHRKE-CQSZACIVSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)CC[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001713605023 1178676830 /nfs/dbraw/zinc/67/68/30/1178676830.db2.gz BMNFEKUFLKRBSI-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP CN(CC[NH2+]CC1CC(F)(F)C1)C(=O)CCC[NH+](C)C ZINC001713627853 1178687568 /nfs/dbraw/zinc/68/75/68/1178687568.db2.gz AOSCUQLUBFMVAL-UHFFFAOYSA-N 2 0 291.386 1.422 10 0 CDAERP CC[C@@H](C(=O)N(C)CC[NH2+]Cc1c(C)noc1C)[NH+](C)C ZINC001713655514 1178697773 /nfs/dbraw/zinc/69/77/73/1178697773.db2.gz GWCOTGHVDGXRGT-AWEZNQCLSA-N 2 0 296.415 1.180 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH2+]CCCF)C1CC1 ZINC001713886352 1178817626 /nfs/dbraw/zinc/81/76/26/1178817626.db2.gz UXECAHIKRWCBAI-GJZGRUSLSA-N 2 0 299.434 1.705 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001713966016 1178897787 /nfs/dbraw/zinc/89/77/87/1178897787.db2.gz GJMAFBNFVSOQEB-AAVRWANBSA-N 2 0 267.417 1.221 10 0 CDAERP O=C(N[C@H]1C[C@@H]([NH2+]CCCF)C1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001714009376 1178924724 /nfs/dbraw/zinc/92/47/24/1178924724.db2.gz HNJVPEIBOYPUAY-BARDWOONSA-N 2 0 297.418 1.600 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@](C)(C[NH2+]CCF)C2CC2)CC[N@@H+]1C ZINC001714162469 1178997673 /nfs/dbraw/zinc/99/76/73/1178997673.db2.gz HKOGISBHRIXEFS-SQWLQELKSA-N 2 0 299.434 1.561 10 0 CDAERP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]CCC(F)(F)F ZINC001714450676 1179144850 /nfs/dbraw/zinc/14/48/50/1179144850.db2.gz QTPQFYKVLQQMBX-NSHDSACASA-N 2 0 295.349 1.377 10 0 CDAERP C[C@@H](F)CC[NH2+]CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001714716762 1179355715 /nfs/dbraw/zinc/35/57/15/1179355715.db2.gz NFTORVBNPSRROK-GFCCVEGCSA-N 2 0 273.396 1.267 10 0 CDAERP CCOCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001714876573 1179433778 /nfs/dbraw/zinc/43/37/78/1179433778.db2.gz AMFUUKYHLLNCPS-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@@H](C[NH2+]CCF)N(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001715360139 1179641451 /nfs/dbraw/zinc/64/14/51/1179641451.db2.gz ADDWVAVMGQBFSI-ZDUSSCGKSA-N 2 0 295.402 1.768 10 0 CDAERP CC/C=C\CC[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001715536447 1179707707 /nfs/dbraw/zinc/70/77/07/1179707707.db2.gz HEEOHJDUCLADGD-IDTUSYRASA-N 2 0 281.444 1.685 10 0 CDAERP CC(C)[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001715811473 1179837107 /nfs/dbraw/zinc/83/71/07/1179837107.db2.gz DLARYXUOUXZRTG-GJBLVYBDSA-N 2 0 267.417 1.530 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC/C=C/C[NH2+]C[C@@H]1CCCCO1 ZINC001715913050 1179909805 /nfs/dbraw/zinc/90/98/05/1179909805.db2.gz MZRFVOCNEOUGFO-NFAHFFEMSA-N 2 0 297.443 1.158 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC/C=C\C[NH2+]CC1CC1 ZINC001715912327 1179909831 /nfs/dbraw/zinc/90/98/31/1179909831.db2.gz KBFVCRUOXJUBPX-LQOBQMSGSA-N 2 0 279.428 1.531 10 0 CDAERP CC/C=C/CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001716013307 1179985479 /nfs/dbraw/zinc/98/54/79/1179985479.db2.gz FLOMRPGHDIDHMO-MFHOCJEASA-N 2 0 281.444 1.873 10 0 CDAERP C[C@H](CC[NH2+]Cc1ccccc1)NC(=O)Cc1c[nH]cn1 ZINC001716176752 1180084125 /nfs/dbraw/zinc/08/41/25/1180084125.db2.gz OYJBAWKLWGIKEP-CYBMUJFWSA-N 2 0 286.379 1.637 10 0 CDAERP CCN(CC[NH2+]CCC(C)C)C(=O)C1([NH+](C)C)CCC1 ZINC001716221176 1180109559 /nfs/dbraw/zinc/10/95/59/1180109559.db2.gz NYIPJHPUTUUSHT-UHFFFAOYSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H](C[NH2+]CC1=CCCCC1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001716452462 1180218465 /nfs/dbraw/zinc/21/84/65/1180218465.db2.gz DJTBKWZTNFOTGP-GJZGRUSLSA-N 2 0 293.455 1.923 10 0 CDAERP CN(CCC[NH2+]CCC1CC1)C(=O)C12CCC[NH+]1CCC2 ZINC001716552774 1180281408 /nfs/dbraw/zinc/28/14/08/1180281408.db2.gz WKMSISDPXADGGB-UHFFFAOYSA-N 2 0 293.455 1.853 10 0 CDAERP CCCC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001717200039 1180569362 /nfs/dbraw/zinc/56/93/62/1180569362.db2.gz YFSKSELLRFVFCY-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP CCCC[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001717286526 1180604030 /nfs/dbraw/zinc/60/40/30/1180604030.db2.gz WCTHZNGLDJJUOC-ZFWWWQNUSA-N 2 0 281.444 1.565 10 0 CDAERP COCC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001717336844 1180620210 /nfs/dbraw/zinc/62/02/10/1180620210.db2.gz SPBOVNZOBSOCDC-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)[NH+](C)C ZINC000164346588 1180672435 /nfs/dbraw/zinc/67/24/35/1180672435.db2.gz WZZWZTSQMOEAOT-GJZGRUSLSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH+](C)CC1CC1 ZINC001717494002 1180709005 /nfs/dbraw/zinc/70/90/05/1180709005.db2.gz DPYMXKFNRGSMPA-JSGCOSHPSA-N 2 0 267.417 1.175 10 0 CDAERP CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001717538376 1180728756 /nfs/dbraw/zinc/72/87/56/1180728756.db2.gz HGFGERYVOCPPJR-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP O=C(NCC1([NH2+]CCCF)CC1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001723530837 1181583442 /nfs/dbraw/zinc/58/34/42/1181583442.db2.gz RZBWEMNQKYITOP-UONOGXRCSA-N 2 0 297.418 1.601 10 0 CDAERP CC(C)[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H](C)C1 ZINC001723878038 1181613883 /nfs/dbraw/zinc/61/38/83/1181613883.db2.gz XZRHGQFGCGXJPA-KBPBESRZSA-N 2 0 269.433 1.704 10 0 CDAERP CC[N@H+](C)CCCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001724860752 1181775033 /nfs/dbraw/zinc/77/50/33/1181775033.db2.gz QZVNWYFRZQDBLQ-ZIAGYGMSSA-N 2 0 269.433 1.659 10 0 CDAERP C[C@H](CCC[NH2+]CCF)NC(=O)C1([NH+](C)C)CCC1 ZINC001725392920 1181985978 /nfs/dbraw/zinc/98/59/78/1181985978.db2.gz YAAIHGDQEPEMRZ-GFCCVEGCSA-N 2 0 273.396 1.315 10 0 CDAERP CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001725465835 1182010432 /nfs/dbraw/zinc/01/04/32/1182010432.db2.gz ITHMGMVKAJCEBY-CWRNSKLLSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCCF ZINC001725494108 1182023365 /nfs/dbraw/zinc/02/33/65/1182023365.db2.gz HLFVPITWQBLVGJ-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP CCC[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001731286278 1182295761 /nfs/dbraw/zinc/29/57/61/1182295761.db2.gz IPGNQVDJQHDVBQ-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP CCC[N@H+](CC)CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001731307194 1182309011 /nfs/dbraw/zinc/30/90/11/1182309011.db2.gz XQEMQDYQRXLVPZ-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP CCOCC[NH2+][C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001731445177 1182390791 /nfs/dbraw/zinc/39/07/91/1182390791.db2.gz FAHXOJJWUONRCB-KKUMJFAQSA-N 2 0 297.443 1.134 10 0 CDAERP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]([NH2+]C/C=C/Cl)C1 ZINC001731456896 1182398355 /nfs/dbraw/zinc/39/83/55/1182398355.db2.gz SQMPHSVCHBVQLL-WXVRQBDSSA-N 2 0 287.835 1.708 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001731458803 1182399179 /nfs/dbraw/zinc/39/91/79/1182399179.db2.gz BGYINLWRECKFIQ-IHRRRGAJSA-N 2 0 267.417 1.221 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001731678553 1182516022 /nfs/dbraw/zinc/51/60/22/1182516022.db2.gz CKOXBVMMKCPEHW-RDJZCZTQSA-N 2 0 293.455 1.711 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCCF)C1 ZINC001731696776 1182522564 /nfs/dbraw/zinc/52/25/64/1182522564.db2.gz BDKLQILYGJZVPD-ZIAGYGMSSA-N 2 0 287.423 1.705 10 0 CDAERP CCC[NH2+]C[C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001732345843 1182918015 /nfs/dbraw/zinc/91/80/15/1182918015.db2.gz OUGHOMIFGICVDN-GFCCVEGCSA-N 2 0 255.406 1.223 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@H]2CCC[C@H]2C[NH2+]CCF)CC1 ZINC001732618590 1183049113 /nfs/dbraw/zinc/04/91/13/1183049113.db2.gz AWINKYVMMFWIOQ-STQMWFEESA-N 2 0 285.407 1.172 10 0 CDAERP CC[C@H](C[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)OC ZINC001732774299 1183120900 /nfs/dbraw/zinc/12/09/00/1183120900.db2.gz XQGKZGVYKYBURM-RBSFLKMASA-N 2 0 299.459 1.190 10 0 CDAERP CCN(CC[NH2+]C[C@H](C)OC)C(=O)CC1CC[NH+](C)CC1 ZINC001732800275 1183129342 /nfs/dbraw/zinc/12/93/42/1183129342.db2.gz QVSBBCVWKRXBSR-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP C[NH+](C)CCC(=O)NC/C=C\C[NH2+]CC1CC(F)(F)C1 ZINC001732892709 1183174378 /nfs/dbraw/zinc/17/43/78/1183174378.db2.gz BAWXNJWCHRWZND-ARJAWSKDSA-N 2 0 289.370 1.245 10 0 CDAERP CCCCC[NH2+]C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001733011911 1183236226 /nfs/dbraw/zinc/23/62/26/1183236226.db2.gz SMHTUPILXXMFHS-ZDUSSCGKSA-N 2 0 269.433 1.613 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCCF)C1CC1 ZINC001733169706 1183314082 /nfs/dbraw/zinc/31/40/82/1183314082.db2.gz BPSOJDWQXLOADP-GJZGRUSLSA-N 2 0 299.434 1.703 10 0 CDAERP CCCCC[N@@H+]1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001733223564 1183349037 /nfs/dbraw/zinc/34/90/37/1183349037.db2.gz YFQTWSYSQDJTJT-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001733676142 1183495319 /nfs/dbraw/zinc/49/53/19/1183495319.db2.gz GYRPWZIFAQYKIN-KBPBESRZSA-N 2 0 267.417 1.176 10 0 CDAERP C[C@@H](CCC[NH2+]CCCF)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001734260663 1183706478 /nfs/dbraw/zinc/70/64/78/1183706478.db2.gz NZFCGQIWSJXNPQ-HOCLYGCPSA-N 2 0 299.434 1.706 10 0 CDAERP CC(C)C[NH2+]CC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC001771783300 1186869985 /nfs/dbraw/zinc/86/99/85/1186869985.db2.gz IUCKIELLKOAJCF-OAHLLOKOSA-N 2 0 281.444 1.470 10 0 CDAERP C[C@H]1C[N@H+](CCOCC[NH3+])CC[C@H](C(F)(F)F)O1 ZINC000872154005 742842718 /nfs/dbraw/zinc/84/27/18/742842718.db2.gz LLXQDYJKZZPPCO-VHSXEESVSA-N 2 0 270.295 1.003 10 0 CDAERP CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000261917143 742870288 /nfs/dbraw/zinc/87/02/88/742870288.db2.gz JSLBBWUTQSBBEG-ALYAQQCSSA-N 2 0 296.455 1.794 10 0 CDAERP CC[N@H+]1[C@H](C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000864083457 742887083 /nfs/dbraw/zinc/88/70/83/742887083.db2.gz FGYVFQWMIBZDOJ-BETUJISGSA-N 2 0 265.401 1.023 10 0 CDAERP COc1ccc([C@H](CCO)[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925615104 742905357 /nfs/dbraw/zinc/90/53/57/742905357.db2.gz LJVLCYUFFSXOQL-JYJNAYRXSA-N 2 0 290.407 1.978 10 0 CDAERP C[C@@H]1CC2(C[N@@H+]1CCC[NH2+]C1CC1)CC[NH2+]CC2 ZINC000923382761 743029301 /nfs/dbraw/zinc/02/93/01/743029301.db2.gz FNDOHNODZXOUDX-CYBMUJFWSA-N 3 0 251.418 1.593 10 0 CDAERP C[C@@H]1C[N@H+](CCOCC[NH3+])CC[C@@H](C(F)(F)F)O1 ZINC000872154006 743193854 /nfs/dbraw/zinc/19/38/54/743193854.db2.gz LLXQDYJKZZPPCO-ZJUUUORDSA-N 2 0 270.295 1.003 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)c2cccc(C[NH3+])c2)C1 ZINC000870992123 743211404 /nfs/dbraw/zinc/21/14/04/743211404.db2.gz IMDRYYVKHIOTFW-QGZVFWFLSA-N 2 0 289.423 1.982 10 0 CDAERP CC(C)C[C@H](CNC(=O)[C@]12CCC[C@H]1[NH2+]CC2)[NH+](C)C ZINC000711374116 743231159 /nfs/dbraw/zinc/23/11/59/743231159.db2.gz FICZTELZKXWNHX-FMKPAKJESA-N 2 0 281.444 1.611 10 0 CDAERP C[C@@H](C1CC1)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000929954650 743314749 /nfs/dbraw/zinc/31/47/49/743314749.db2.gz VETBJKPYZSMFJT-LBPRGKRZSA-N 2 0 267.417 1.175 10 0 CDAERP C[C@@H]1C[N@H+](CCOC2CCOCC2)C[C@H]1CC[NH3+] ZINC000723899531 743316812 /nfs/dbraw/zinc/31/68/12/743316812.db2.gz CYRWCIUKNOIYPM-CHWSQXEVSA-N 2 0 256.390 1.099 10 0 CDAERP C[C@H]([NH3+])CN(C)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000861580121 743327034 /nfs/dbraw/zinc/32/70/34/743327034.db2.gz DEWZRUKKZXCFQI-NSHDSACASA-N 2 0 296.390 1.376 10 0 CDAERP CS(=O)(=O)C1(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)CCCC1 ZINC000925673210 743331227 /nfs/dbraw/zinc/33/12/27/743331227.db2.gz ZSVOLZAPSUTQIT-NWDGAFQWSA-N 2 0 286.441 1.203 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@H]2C[NH2+]CC2(C)C)C1 ZINC000711355369 743374566 /nfs/dbraw/zinc/37/45/66/743374566.db2.gz DKQRYLJJYYMJGC-YNEHKIRRSA-N 2 0 267.417 1.221 10 0 CDAERP C[C@@H](NC(=O)c1ccc2c[nH+]cn2c1)C1CC[NH2+]CC1 ZINC000868007368 743445969 /nfs/dbraw/zinc/44/59/69/743445969.db2.gz MKXNHGCRBWHMGJ-LLVKDONJSA-N 2 0 272.352 1.452 10 0 CDAERP COC(=O)C1=CC[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000862466908 743472830 /nfs/dbraw/zinc/47/28/30/743472830.db2.gz JSRCBOOFNLKTIM-CYBMUJFWSA-N 2 0 298.346 1.619 10 0 CDAERP CC(C)OCC[C@H](O)C[N@@H+]1[C@H](C)[C@@H](C)CC[C@H]1CN ZINC000923421628 743525572 /nfs/dbraw/zinc/52/55/72/743525572.db2.gz DDTGAMFIEBOTCH-XGUBFFRZSA-N 2 0 272.433 1.610 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)NCC(C)(C)C)CC[C@@H]1C[NH3+] ZINC000923487788 743580492 /nfs/dbraw/zinc/58/04/92/743580492.db2.gz BNGKTHQRPKNOQH-VXGBXAGGSA-N 2 0 255.406 1.065 10 0 CDAERP CN(CC[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1)c1ccccc1 ZINC000923321024 745010386 /nfs/dbraw/zinc/01/03/86/745010386.db2.gz BXSMXTXYBLBFSH-MRXNPFEDSA-N 2 0 289.423 1.433 10 0 CDAERP O=C(N[C@@H]1CC[NH2+]C12CCCC2)C1CC[NH+](C2CC2)CC1 ZINC000843515050 745076228 /nfs/dbraw/zinc/07/62/28/745076228.db2.gz XTCBRMWWJSMCKJ-OAHLLOKOSA-N 2 0 291.439 1.652 10 0 CDAERP C[C@H](CO[C@@H]1CCOC1)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925542270 745078020 /nfs/dbraw/zinc/07/80/20/745078020.db2.gz YLEMSGHCKQXPMC-FVCCEPFGSA-N 2 0 254.374 1.040 10 0 CDAERP [NH3+]CCCCCCC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000843508739 745087965 /nfs/dbraw/zinc/08/79/65/745087965.db2.gz VQKYPZGXTBBTPU-INIZCTEOSA-N 2 0 289.423 1.980 10 0 CDAERP CC(C)OCC[NH+]1CCN(CCC[NH2+]C2CC2)CC1 ZINC000923325184 745199144 /nfs/dbraw/zinc/19/91/44/745199144.db2.gz RTIICOXNNQUGSX-UHFFFAOYSA-N 2 0 269.433 1.171 10 0 CDAERP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCC(=O)Nc1cccc(F)c1)C2 ZINC000872152052 745237727 /nfs/dbraw/zinc/23/77/27/745237727.db2.gz KDKVVKHZPBCQAY-BLLLJJGKSA-N 2 0 291.370 1.696 10 0 CDAERP OC[C@H]1CC[C@@H]([NH2+][C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925607667 745241928 /nfs/dbraw/zinc/24/19/28/745241928.db2.gz QKQYCJXXCRGJCI-MJBXVCDLSA-N 2 0 252.402 1.802 10 0 CDAERP CON1CC[C@H](N2CCC[C@H]([NH+]3CCCC3)CC2)C1=O ZINC000929685729 745314843 /nfs/dbraw/zinc/31/48/43/745314843.db2.gz BSYGZEUGWURRJX-KBPBESRZSA-N 2 0 281.400 1.099 10 0 CDAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CCCc1ccncc1)CC2 ZINC000923453219 745328332 /nfs/dbraw/zinc/32/83/32/745328332.db2.gz WBSSNESVKFIXJZ-MRXNPFEDSA-N 2 0 289.423 1.844 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCc1nc2c(s1)CCC2 ZINC000925829421 745330007 /nfs/dbraw/zinc/33/00/07/745330007.db2.gz DGWZQLRIZVXEBG-LLVKDONJSA-N 2 0 283.441 1.518 10 0 CDAERP C[NH+]1CCN(CCC[NH2+][C@@H](C2CC2)C2CCOCC2)CC1 ZINC000924578788 745336845 /nfs/dbraw/zinc/33/68/45/745336845.db2.gz QYVDCCSACAKEPX-KRWDZBQOSA-N 2 0 295.471 1.419 10 0 CDAERP C(C[NH2+]C1CC1)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000923358874 745342879 /nfs/dbraw/zinc/34/28/79/745342879.db2.gz MBDJFNLQHIXBRX-HUUCEWRRSA-N 3 0 265.445 1.840 10 0 CDAERP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)CCC2(O)CCC2)CCN1C ZINC000929780330 745390046 /nfs/dbraw/zinc/39/00/46/745390046.db2.gz FSUOAKBIAIMCLZ-QLFBSQMISA-N 2 0 284.444 1.457 10 0 CDAERP C1CCC([C@@H]2C[NH2+]CC[C@@H]2[NH2+][C@H]2CCCOC2)C1 ZINC000925671309 745443870 /nfs/dbraw/zinc/44/38/70/745443870.db2.gz BZFRCKLNXWHIMT-KKUMJFAQSA-N 2 0 252.402 1.923 10 0 CDAERP CC(C)CNC(=O)[C@@H](C)[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714486654 745459796 /nfs/dbraw/zinc/45/97/96/745459796.db2.gz OYSJHEXOEVAPBA-CYBMUJFWSA-N 2 0 283.460 1.844 10 0 CDAERP [NH3+]CCCCCCC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000841853270 745470770 /nfs/dbraw/zinc/47/07/70/745470770.db2.gz ZLCHPEHTINTATD-JTQLQIEISA-N 2 0 263.332 1.009 10 0 CDAERP C(C[NH+]1CCCCC1)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000925533140 745489492 /nfs/dbraw/zinc/48/94/92/745489492.db2.gz JTRUPNZTNLAQNB-CQSZACIVSA-N 2 0 251.418 1.737 10 0 CDAERP CCOCCOCC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925874808 745518288 /nfs/dbraw/zinc/51/82/88/745518288.db2.gz NTEGFXLWJRGNEQ-HOTGVXAUSA-N 2 0 284.444 1.797 10 0 CDAERP CC1(CC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)OCCO1 ZINC000850246488 745546386 /nfs/dbraw/zinc/54/63/86/745546386.db2.gz PLRAKLPNOAFBCO-UHFFFAOYSA-N 2 0 288.351 1.510 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)C1 ZINC000925880119 745547129 /nfs/dbraw/zinc/54/71/29/745547129.db2.gz OIPGFTNKHMGODB-BTFPBAQTSA-N 2 0 252.402 1.909 10 0 CDAERP CC/C=C(/F)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000865783082 745581741 /nfs/dbraw/zinc/58/17/41/745581741.db2.gz GZIDQTFTVIPSPD-NTEUORMPSA-N 2 0 287.423 1.982 10 0 CDAERP C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)CC[NH2+]CC1CC1 ZINC000720900182 745592640 /nfs/dbraw/zinc/59/26/40/745592640.db2.gz QGRNTZGIGXDIMI-KGLIPLIRSA-N 2 0 265.401 1.071 10 0 CDAERP CC(C)OC[C@H](O)C[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000230027175 745619278 /nfs/dbraw/zinc/61/92/78/745619278.db2.gz BUNJUEBUSSNQSE-MRXNPFEDSA-N 2 0 280.412 1.623 10 0 CDAERP C[NH+]1CCC(N2CC[C@@H]([NH2+]CC3(O)CCCCC3)C2)CC1 ZINC000819052712 745627447 /nfs/dbraw/zinc/62/74/47/745627447.db2.gz CGUYUDIWHGLSRQ-OAHLLOKOSA-N 2 0 295.471 1.440 10 0 CDAERP Cc1ccccc1OCC[N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923302314 745751819 /nfs/dbraw/zinc/75/18/19/745751819.db2.gz UVRKLQZAHUGJAV-HNNXBMFYSA-N 2 0 290.407 1.684 10 0 CDAERP CC[NH2+]CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000843489347 745794638 /nfs/dbraw/zinc/79/46/38/745794638.db2.gz CTOJJAXDFCJSPV-OLZOCXBDSA-N 2 0 253.390 1.070 10 0 CDAERP CC[C@H]1COC[C@@H]1[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000926687208 745800464 /nfs/dbraw/zinc/80/04/64/745800464.db2.gz WEQIMSGZYKWENR-KKUMJFAQSA-N 2 0 271.449 1.273 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)[C@H](C)C1 ZINC000926946410 745801072 /nfs/dbraw/zinc/80/10/72/745801072.db2.gz UKDQFAFITKYXHZ-MRLBHPIUSA-N 2 0 268.401 1.110 10 0 CDAERP CO[C@]1(C[NH2+]C2CCC(C)([NH+](C)C)CC2)CCOC1 ZINC000715528056 745809940 /nfs/dbraw/zinc/80/99/40/745809940.db2.gz OGUDWNGHUAZXRN-NRXISQOPSA-N 2 0 270.417 1.644 10 0 CDAERP CC(C)NC(=O)CC[N@@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000931726652 745812062 /nfs/dbraw/zinc/81/20/62/745812062.db2.gz LOEJPDBNHJUDEH-OLZOCXBDSA-N 2 0 253.390 1.070 10 0 CDAERP C[NH+](C)CCC[C@@H]1C[N@H+](CCCCCCO)CCO1 ZINC000852760937 745812420 /nfs/dbraw/zinc/81/24/20/745812420.db2.gz OTVOGKSCDGGYTL-OAHLLOKOSA-N 2 0 272.433 1.582 10 0 CDAERP c1csc([C@H]2CC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)n1 ZINC000710467919 745813592 /nfs/dbraw/zinc/81/35/92/745813592.db2.gz PNOJJNCZAVQRJA-NEPJUHHUSA-N 2 0 251.399 1.932 10 0 CDAERP CCCCCNC(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923496181 745818669 /nfs/dbraw/zinc/81/86/69/745818669.db2.gz GNKZQDOIHHHRAJ-CHWSQXEVSA-N 2 0 255.406 1.210 10 0 CDAERP C[N@@H+]1C[C@@H]2CN(C[C@@H]3CC4(CCC4)C(=O)O3)C[C@]2(C)C1 ZINC000933732401 745833858 /nfs/dbraw/zinc/83/38/58/745833858.db2.gz QAYJPRUQIZZYBO-IPYPFGDCSA-N 2 0 278.396 1.356 10 0 CDAERP CCOC(=O)C12CC(C1)C[N@@H+]2CCCCCC[NH3+] ZINC000852761744 745835594 /nfs/dbraw/zinc/83/55/94/745835594.db2.gz ZNBHLONXAIUJBN-UHFFFAOYSA-N 2 0 254.374 1.533 10 0 CDAERP C[C@H]1C[N@H+](CC(=O)NC(C2CC2)C2CC2)CC[C@@H]1C[NH3+] ZINC000923501866 745847357 /nfs/dbraw/zinc/84/73/57/745847357.db2.gz WHAWIOHMAUTHLJ-SMDDNHRTSA-N 2 0 279.428 1.208 10 0 CDAERP COC[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)C1CCOCC1 ZINC000925841586 745871403 /nfs/dbraw/zinc/87/14/03/745871403.db2.gz QYFNQVACEHOVNB-BZUAXINKSA-N 2 0 282.428 1.550 10 0 CDAERP CCOC(=O)C1=CC[C@@H]([NH2+][C@H](C)C2CC[NH+](C)CC2)C1 ZINC000858504584 745883297 /nfs/dbraw/zinc/88/32/97/745883297.db2.gz UPJSOOOHAZOIHH-IUODEOHRSA-N 2 0 280.412 1.958 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)CC[NH2+]CC2CC2)CC1 ZINC000717197378 745892502 /nfs/dbraw/zinc/89/25/02/745892502.db2.gz VKWIGDBVWPDHQH-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP OCCC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC[NH2+]CC1 ZINC000866727111 745899248 /nfs/dbraw/zinc/89/92/48/745899248.db2.gz FOIHMCQHTPZQBY-GOOCMWNKSA-N 2 0 252.402 1.611 10 0 CDAERP CC[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)C1CCC1 ZINC000925849895 746002019 /nfs/dbraw/zinc/00/20/19/746002019.db2.gz RPECJNIOACIVNI-UONOGXRCSA-N 2 0 280.412 1.840 10 0 CDAERP [NH2+]=C(NCCC1CC1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000864465232 746005464 /nfs/dbraw/zinc/00/54/64/746005464.db2.gz RORMHDMZWUXVAC-AWEZNQCLSA-N 2 0 264.417 1.917 10 0 CDAERP CCc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)[nH]n1 ZINC000796763005 746014048 /nfs/dbraw/zinc/01/40/48/746014048.db2.gz RJLZRPYFQXLVIF-RRFJBIMHSA-N 2 0 262.401 1.935 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1)C(C)C ZINC000846674213 746022411 /nfs/dbraw/zinc/02/24/11/746022411.db2.gz VGAWDIXCTPVRCG-UONOGXRCSA-N 2 0 267.417 1.364 10 0 CDAERP CC[N@H+](CCN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)C1CC1 ZINC000925556879 746096462 /nfs/dbraw/zinc/09/64/62/746096462.db2.gz LQXNMSJAVIVYIY-CHWSQXEVSA-N 2 0 253.434 1.966 10 0 CDAERP C[NH+](C)[C@]1(CNC2[C@@H]3CC[C@H]2C[N@@H+](C)C3)CCSC1 ZINC000925216550 746201156 /nfs/dbraw/zinc/20/11/56/746201156.db2.gz YDRXTNCWLHTWNF-IXXDHKBRSA-N 2 0 283.485 1.354 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+]Cc1nc(CN(C)C)cs1 ZINC000722382020 746325433 /nfs/dbraw/zinc/32/54/33/746325433.db2.gz HBJIVOVALRWYIX-NSHDSACASA-N 2 0 270.446 1.812 10 0 CDAERP CCC[NH+]1CCC([NH2+][C@H]2CCc3nnn(C)c3C2)CC1 ZINC000927148456 746336092 /nfs/dbraw/zinc/33/60/92/746336092.db2.gz UTDDZZUYADTXLY-ZDUSSCGKSA-N 2 0 277.416 1.136 10 0 CDAERP [NH3+][C@H]1C[C@@H]([NH2+]CCCNc2ccccn2)C12CCC2 ZINC000925539014 746368138 /nfs/dbraw/zinc/36/81/38/746368138.db2.gz XTEGSFFWTGKEOU-QWHCGFSZSA-N 2 0 260.385 1.743 10 0 CDAERP CC[C@H](C[C@](C)(O)CC)[NH2+]CCCN1CC[NH+](CC)CC1 ZINC000924657193 746383392 /nfs/dbraw/zinc/38/33/92/746383392.db2.gz GSGITJQLAVABIV-IAGOWNOFSA-N 2 0 299.503 1.933 10 0 CDAERP C[C@H](CNC(=O)[C@H]1C[NH2+]CC1(C)C)C[NH+]1CCCCC1 ZINC000711235986 746396592 /nfs/dbraw/zinc/39/65/92/746396592.db2.gz GUWOQTNNLGPIST-ZIAGYGMSSA-N 2 0 281.444 1.470 10 0 CDAERP CCCS(=O)(=O)CCN1CCC(C(C)(C)C[NH3+])CC1 ZINC000714468982 746406550 /nfs/dbraw/zinc/40/65/50/746406550.db2.gz REIJOZRMMYYVTR-UHFFFAOYSA-N 2 0 290.473 1.508 10 0 CDAERP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C1CC1)C1CCOCC1 ZINC000924992595 746406574 /nfs/dbraw/zinc/40/65/74/746406574.db2.gz MNBTXLCLIQPWKW-WMLDXEAASA-N 2 0 295.471 1.417 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C1CC1)C1CCOCC1 ZINC000924992593 746504193 /nfs/dbraw/zinc/50/41/93/746504193.db2.gz MNBTXLCLIQPWKW-PBHICJAKSA-N 2 0 295.471 1.417 10 0 CDAERP C[C@@H]1C[N@H+](CCOC2CCOCC2)CC[C@@H]1C[NH3+] ZINC000701371944 746513605 /nfs/dbraw/zinc/51/36/05/746513605.db2.gz QCTCDMMKUDHGFK-CHWSQXEVSA-N 2 0 256.390 1.099 10 0 CDAERP C[C@H](CCc1cccnc1)[NH2+]CCOCC[NH+](C)C ZINC000866349091 746517988 /nfs/dbraw/zinc/51/79/88/746517988.db2.gz XOOPEOOHAFDJTP-CQSZACIVSA-N 2 0 265.401 1.571 10 0 CDAERP Cn1ccnc1[C@@H](O)C1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261942914 746534919 /nfs/dbraw/zinc/53/49/19/746534919.db2.gz DXFSFINRBKQZDW-HOCLYGCPSA-N 2 0 292.427 1.165 10 0 CDAERP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925726937 746603655 /nfs/dbraw/zinc/60/36/55/746603655.db2.gz MBWTWJNIEQSLQX-NMFUWQPSSA-N 3 0 251.418 1.482 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@@H](O)CO)CC1 ZINC000929840366 746605332 /nfs/dbraw/zinc/60/53/32/746605332.db2.gz FDFPRKWCZGSVNQ-GDBMZVCRSA-N 2 0 284.444 1.316 10 0 CDAERP CC(C)N1CCO[C@@H](C(=[NH2+])NOCc2cccc(F)c2)C1 ZINC000779647742 746656801 /nfs/dbraw/zinc/65/68/01/746656801.db2.gz AYCVDDQXYINIMO-CQSZACIVSA-N 2 0 295.358 1.933 10 0 CDAERP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925684930 746746983 /nfs/dbraw/zinc/74/69/83/746746983.db2.gz FAAWLDADKFHPGA-MCIONIFRSA-N 3 0 251.418 1.578 10 0 CDAERP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000720902660 746751003 /nfs/dbraw/zinc/75/10/03/746751003.db2.gz VAZDVLAHMJILID-XDQVBPFNSA-N 2 0 265.401 1.199 10 0 CDAERP Cn1cncc1C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866707407 746815060 /nfs/dbraw/zinc/81/50/60/746815060.db2.gz NWXUDEGFCLQSLX-CQSZACIVSA-N 2 0 250.390 1.617 10 0 CDAERP C[C@H](O)[C@H](C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000808424850 746817949 /nfs/dbraw/zinc/81/79/49/746817949.db2.gz BAJBNNCYEDEPBJ-STQMWFEESA-N 2 0 266.385 1.486 10 0 CDAERP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000925687129 746829796 /nfs/dbraw/zinc/82/97/96/746829796.db2.gz YZQRABCYDCTAPJ-KGLIPLIRSA-N 3 0 251.418 1.593 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000852873656 746830914 /nfs/dbraw/zinc/83/09/14/746830914.db2.gz BILQPTWXKSKNQS-OAHLLOKOSA-N 2 0 277.412 1.287 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cnn(-c3ccccc3)n2)C1 ZINC000848563158 746832451 /nfs/dbraw/zinc/83/24/51/746832451.db2.gz QBBLCNDDWUNXHM-AKAXFMLLSA-N 2 0 285.395 1.697 10 0 CDAERP CC[NH+]1CCC(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925518526 746855929 /nfs/dbraw/zinc/85/59/29/746855929.db2.gz RKKCHKNQWJKIIL-OAHLLOKOSA-N 3 0 265.445 1.983 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCN1CCC([NH+]2CCCOCC2)CC1 ZINC000931287131 746863948 /nfs/dbraw/zinc/86/39/48/746863948.db2.gz SVSXNLLZPSNJEK-MRXNPFEDSA-N 2 0 295.471 1.657 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)N(C)Cc2cccs2)CC[C@@H]1C[NH3+] ZINC000923504665 746870728 /nfs/dbraw/zinc/87/07/28/746870728.db2.gz SKKCFWYPSOLSQO-CHWSQXEVSA-N 2 0 295.452 1.623 10 0 CDAERP CCN(C(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1)c1ccccc1 ZINC000923505816 746878446 /nfs/dbraw/zinc/87/84/46/746878446.db2.gz CHHYXSALDCCTPN-LSDHHAIUSA-N 2 0 289.423 1.956 10 0 CDAERP CN1Cc2ccccc2[C@H]1CNc1cc[nH+]cc1C(N)=O ZINC000866195616 746893889 /nfs/dbraw/zinc/89/38/89/746893889.db2.gz YUVQKMVYDHIQKP-OAHLLOKOSA-N 2 0 282.347 1.201 10 0 CDAERP CC1CCC(N(C)C(=O)C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)CC1 ZINC000923498175 746911866 /nfs/dbraw/zinc/91/18/66/746911866.db2.gz FVKOQJMABQRRQM-PYBGIAKNSA-N 2 0 295.471 1.940 10 0 CDAERP [NH3+]CCCCCCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000843506486 746959283 /nfs/dbraw/zinc/95/92/83/746959283.db2.gz VRFSGMHBUODQFS-RDBSUJKOSA-N 2 0 267.417 1.542 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841739072 746958604 /nfs/dbraw/zinc/95/86/04/746958604.db2.gz JIKBOPYFKLUSBO-HNNXBMFYSA-N 2 0 290.411 1.081 10 0 CDAERP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1nnc2n1CCCCC2 ZINC000054242579 747021487 /nfs/dbraw/zinc/02/14/87/747021487.db2.gz SKXVYUQKFGLCBE-ZDUSSCGKSA-N 2 0 291.443 1.997 10 0 CDAERP C[C@@H]1[C@H](NC(=O)NC(C)(C)CCC[NH+](C)C)CC[N@@H+]1C ZINC000925342109 747046274 /nfs/dbraw/zinc/04/62/74/747046274.db2.gz ROJVVUDPEKETEC-CHWSQXEVSA-N 2 0 284.448 1.499 10 0 CDAERP C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923503123 747054214 /nfs/dbraw/zinc/05/42/14/747054214.db2.gz GTCGMKAQXSZIIF-QLFBSQMISA-N 2 0 281.444 1.550 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@]1(C)CC1(Cl)Cl ZINC000817935740 747091348 /nfs/dbraw/zinc/09/13/48/747091348.db2.gz DCYCDIKSROTFDW-VHSXEESVSA-N 2 0 269.216 1.914 10 0 CDAERP C[NH+](C)C[C@](C)(O)C[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000227975016 747179699 /nfs/dbraw/zinc/17/96/99/747179699.db2.gz TVRBDHOFOLXLQR-HUUCEWRRSA-N 2 0 284.444 1.771 10 0 CDAERP C(C[NH2+]C1CC1)CN1CC[NH2+]CC12CCCCC2 ZINC000923325999 747218709 /nfs/dbraw/zinc/21/87/09/747218709.db2.gz DPMRKDQXFOXYDS-UHFFFAOYSA-N 2 0 251.418 1.737 10 0 CDAERP C[NH2+]C[C@@](C)(O)C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923507920 747251611 /nfs/dbraw/zinc/25/16/11/747251611.db2.gz RGXZUNVQGZZRQW-GDBMZVCRSA-N 2 0 283.460 1.059 10 0 CDAERP CC(C)OC(=O)CCN1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872151448 747303031 /nfs/dbraw/zinc/30/30/31/747303031.db2.gz KNUNFOIZHFYIGW-ZJUUUORDSA-N 2 0 282.306 1.397 10 0 CDAERP C[C@H](C[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1)N1CC[NH+](C)CC1 ZINC000924967899 747322336 /nfs/dbraw/zinc/32/23/36/747322336.db2.gz ZWMAKTCJANZNQD-OIISXLGYSA-N 2 0 295.471 1.417 10 0 CDAERP C[C@@H](C[NH2+][C@@H](C)c1cc(O)cc(F)c1)N1CC[NH+](C)CC1 ZINC000924966646 747342252 /nfs/dbraw/zinc/34/22/52/747342252.db2.gz SVFMBUNKKIFGHL-STQMWFEESA-N 2 0 295.402 1.818 10 0 CDAERP COc1ccc([C@@H](C[NH3+])CN2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923515587 747368022 /nfs/dbraw/zinc/36/80/22/747368022.db2.gz BHDBCNNQCXCEKU-YUELXQCFSA-N 2 0 277.412 1.264 10 0 CDAERP C[NH2+]Cc1ccccc1NC(=O)C=C1CC[NH2+]CC1 ZINC000852793081 747429983 /nfs/dbraw/zinc/42/99/83/747429983.db2.gz PASAJKQZTWSOQM-UHFFFAOYSA-N 2 0 259.353 1.654 10 0 CDAERP CN(CC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)CC(F)F ZINC000925724557 747435590 /nfs/dbraw/zinc/43/55/90/747435590.db2.gz KQBDJVGWAQPVPF-WXHSDQCUSA-N 2 0 275.387 1.550 10 0 CDAERP Cc1c[nH]nc1C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923444985 747469479 /nfs/dbraw/zinc/46/94/79/747469479.db2.gz JEDWCVVDRULQSS-LBPRGKRZSA-N 2 0 264.373 1.048 10 0 CDAERP Cc1cc([C@H]([NH3+])CC(=O)NCC[C@H](C)[NH3+])cc(Cl)n1 ZINC000832565125 747523584 /nfs/dbraw/zinc/52/35/84/747523584.db2.gz JOJIIADIHGFQLX-GZMMTYOYSA-N 2 0 284.791 1.287 10 0 CDAERP [NH3+][C@H]1C[C@H](NCC2([NH+]3CCCC3)CCOCC2)C12CCC2 ZINC000925499953 747541385 /nfs/dbraw/zinc/54/13/85/747541385.db2.gz VGXQVIPLQORDHL-GJZGRUSLSA-N 2 0 293.455 1.491 10 0 CDAERP CCON(CC)C(=O)CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000858223199 747698717 /nfs/dbraw/zinc/69/87/17/747698717.db2.gz ONSWDLAMSBQAKL-QWHCGFSZSA-N 2 0 269.389 1.003 10 0 CDAERP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000923375354 747806649 /nfs/dbraw/zinc/80/66/49/747806649.db2.gz KNALZMFQYFMTGW-JKSUJKDBSA-N 3 0 281.444 1.347 10 0 CDAERP Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2C[C@H]2CCC[NH2+]C2)cn1 ZINC000262050251 747807599 /nfs/dbraw/zinc/80/75/99/747807599.db2.gz ZLWZZPBGBSHZDW-CWRNSKLLSA-N 2 0 292.427 1.308 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](CCOC[C@@H]2CCCO2)C1 ZINC000866707063 747811587 /nfs/dbraw/zinc/81/15/87/747811587.db2.gz SFRLRTJPEOUEJK-GOEBONIOSA-N 2 0 284.444 1.879 10 0 CDAERP C[N@@H+]1CCC[C@H](CNC(=[NH2+])NCCc2cccs2)C1 ZINC000849005184 747838905 /nfs/dbraw/zinc/83/89/05/747838905.db2.gz BOBRZJXKYHZETP-GFCCVEGCSA-N 2 0 280.441 1.746 10 0 CDAERP COCCCN(C)CC[NH2+][C@H](C1CCC1)[C@H]1CCCO1 ZINC000866273937 747861413 /nfs/dbraw/zinc/86/14/13/747861413.db2.gz UZVJWXSNTJFGQC-HZPDHXFCSA-N 2 0 284.444 1.892 10 0 CDAERP Cc1ccccc1CNC(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923500162 747861502 /nfs/dbraw/zinc/86/15/02/747861502.db2.gz OKTXWSAYGVEPGZ-HUUCEWRRSA-N 2 0 289.423 1.528 10 0 CDAERP C[C@H](O)CCC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925658837 747873509 /nfs/dbraw/zinc/87/35/09/747873509.db2.gz VWZQQIHFQXZDPE-AEGPPILISA-N 2 0 254.418 1.905 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+][C@H](CO)Cc2ccc(F)cc2)C12CCC2 ZINC000925650324 747891810 /nfs/dbraw/zinc/89/18/10/747891810.db2.gz NYBXHADLSGDYJN-RRFJBIMHSA-N 2 0 278.371 1.589 10 0 CDAERP C[C@H]1C[C@H]([NH2+]CCN2CCC([NH3+])CC2)C[C@@H](C)C1 ZINC000721945036 747949992 /nfs/dbraw/zinc/94/99/92/747949992.db2.gz WLVCBSOWNFUVRW-NHAGDIPZSA-N 2 0 253.434 1.824 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H]2CCCCNC2=O)C1 ZINC000925537435 748017060 /nfs/dbraw/zinc/01/70/60/748017060.db2.gz XQWKFIVJXCWYMD-UTUOFQBUSA-N 2 0 253.390 1.151 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CCO[C@H]2CCOC2)CC1(C)C ZINC000922933725 748026319 /nfs/dbraw/zinc/02/63/19/748026319.db2.gz FNMWIGBLUQPZID-OLZOCXBDSA-N 2 0 256.390 1.254 10 0 CDAERP CC1(C)CC[NH2+]CCN1C(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000872301151 748095221 /nfs/dbraw/zinc/09/52/21/748095221.db2.gz PXYCBBZCARVDNW-CFHLNLSMSA-N 2 0 265.401 1.143 10 0 CDAERP C[C@H](O)C[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717922283 748113568 /nfs/dbraw/zinc/11/35/68/748113568.db2.gz YHZQDZBJSXCHMA-HNNXBMFYSA-N 2 0 292.423 1.374 10 0 CDAERP COC1CC([NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)C1 ZINC000668490454 748114282 /nfs/dbraw/zinc/11/42/82/748114282.db2.gz WGBDRDRFVDKXEA-CGZBRXJRSA-N 2 0 290.407 1.520 10 0 CDAERP Cc1ccccc1CNC(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923500161 748124170 /nfs/dbraw/zinc/12/41/70/748124170.db2.gz OKTXWSAYGVEPGZ-GJZGRUSLSA-N 2 0 289.423 1.528 10 0 CDAERP CC(C)[C@@H]1CN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC[NH2+]1 ZINC000856488616 748244502 /nfs/dbraw/zinc/24/45/02/748244502.db2.gz AJELYANEHJRUNZ-BBRMVZONSA-N 2 0 299.434 1.655 10 0 CDAERP CC/C=C(\C)C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000855345649 748256770 /nfs/dbraw/zinc/25/67/70/748256770.db2.gz DWSDEZYLJOPUDZ-SSUFTNFISA-N 2 0 269.433 1.731 10 0 CDAERP OC[C@H]1C=C[C@@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925617953 748258113 /nfs/dbraw/zinc/25/81/13/748258113.db2.gz YGKHSRFWAFFTSF-DRPJVOAASA-N 2 0 264.413 1.681 10 0 CDAERP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000926337279 748267412 /nfs/dbraw/zinc/26/74/12/748267412.db2.gz NHHOZDCYCIYYMZ-DNDYEEKYSA-N 2 0 279.428 1.650 10 0 CDAERP C[C@@H]1CCCCN1C(=O)C[N@H+](C)CCCCCC[NH3+] ZINC000710835671 748299809 /nfs/dbraw/zinc/29/98/09/748299809.db2.gz YJKRFESSZHXCDD-CQSZACIVSA-N 2 0 269.433 1.838 10 0 CDAERP CCCN1CC[C@H]([NH2+]CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000397727445 748333639 /nfs/dbraw/zinc/33/36/39/748333639.db2.gz OGBRGWRZDBEQKT-AWEZNQCLSA-N 2 0 297.443 1.927 10 0 CDAERP C([C@@H]1C[C@@H]2COC[C@@H]2O1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000724587575 748336399 /nfs/dbraw/zinc/33/63/99/748336399.db2.gz VOVDEUKPGABMNO-OWYFMNJBSA-N 2 0 280.412 1.254 10 0 CDAERP CC1(C)[C@@H]([NH2+]C[C@@H]2CCC[C@H]2O)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925688603 748347037 /nfs/dbraw/zinc/34/70/37/748347037.db2.gz FHNZQZKZPJFQAE-ZSLBOAEBSA-N 2 0 252.402 1.514 10 0 CDAERP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872286139 748365396 /nfs/dbraw/zinc/36/53/96/748365396.db2.gz WCWVDMLLPIZHRU-HOSILWTGSA-N 2 0 279.428 1.447 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)C1 ZINC000870914959 748369938 /nfs/dbraw/zinc/36/99/38/748369938.db2.gz YELQNSHFKLCQRT-NBFUAULTSA-N 2 0 291.439 1.352 10 0 CDAERP C[N@H+](CCNC(=[NH2+])NC1CCC1)C1CCCCC1 ZINC000848987870 748397820 /nfs/dbraw/zinc/39/78/20/748397820.db2.gz KKOIYLVBQKFPNZ-UHFFFAOYSA-N 2 0 252.406 1.917 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=S)NC1CCC1 ZINC000849276272 748470863 /nfs/dbraw/zinc/47/08/63/748470863.db2.gz FZQVIMKQBNOARO-LBPRGKRZSA-N 2 0 286.489 1.275 10 0 CDAERP C[N@@H+]1CCC[C@@H]2C[NH+](CCO[C@H]3CCOC3)CC[C@@H]21 ZINC000929849334 748480693 /nfs/dbraw/zinc/48/06/93/748480693.db2.gz XHMKWRZHELUBCD-ILXRZTDVSA-N 2 0 268.401 1.208 10 0 CDAERP C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)[C@@H]1CCCOC1 ZINC000925845601 748540348 /nfs/dbraw/zinc/54/03/48/748540348.db2.gz MJTQQYOJBKZNCL-GBJTYRQASA-N 2 0 252.402 1.923 10 0 CDAERP C[C@@]1(c2nc(-c3ccn4c[nH+]cc4c3)no2)CC[NH2+]C1 ZINC000843227076 748599541 /nfs/dbraw/zinc/59/95/41/748599541.db2.gz ROFUXHIIFOCSOJ-CQSZACIVSA-N 2 0 269.308 1.635 10 0 CDAERP CCO[C@@H](CC[NH+](C)C)CNC(=[NH2+])N1CC[C@H](CC)C1 ZINC000864459184 748749476 /nfs/dbraw/zinc/74/94/76/748749476.db2.gz CKIVQKGGAXGKOI-KBPBESRZSA-N 2 0 284.448 1.599 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](C[C@@H]2C[C@@H]3COC[C@H]3O2)CC1 ZINC000929275206 748811536 /nfs/dbraw/zinc/81/15/36/748811536.db2.gz HHWAEPOSYBERSK-IXDOHACOSA-N 2 0 296.455 1.844 10 0 CDAERP CCCNC(=O)CC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925495490 748812043 /nfs/dbraw/zinc/81/20/43/748812043.db2.gz OQZHBIVJQCKEOL-XBFCOCLRSA-N 2 0 267.417 1.269 10 0 CDAERP Cn1ncc(C[NH2+]C2CCC(C[NH+](C)C)CC2)n1 ZINC000815132130 748814280 /nfs/dbraw/zinc/81/42/80/748814280.db2.gz VGTFPJVSTXMQCC-UHFFFAOYSA-N 2 0 251.378 1.025 10 0 CDAERP C[C@@H]1CC[C@@H](N[C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C[NH2+]1 ZINC000925720170 748819156 /nfs/dbraw/zinc/81/91/56/748819156.db2.gz XINVZOJUMYGHOT-XGFWRYKXSA-N 2 0 251.418 1.493 10 0 CDAERP C1=C[C@@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)[C@H]2CO[C@@H]1C2 ZINC000925830623 748822362 /nfs/dbraw/zinc/82/23/62/748822362.db2.gz JSALHBQGVHJHDM-IJOLSIAMSA-N 2 0 262.397 1.555 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000423114074 748836961 /nfs/dbraw/zinc/83/69/61/748836961.db2.gz LGJBSOHJQYXAKG-HUUCEWRRSA-N 2 0 278.396 1.724 10 0 CDAERP CC1(C)[C@@H](NC[C@@]2(C)CCC[NH2+]C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925696933 748861701 /nfs/dbraw/zinc/86/17/01/748861701.db2.gz BSRWABNFKWQVBB-HOSILWTGSA-N 2 0 265.445 1.742 10 0 CDAERP FCCn1cc(C[NH2+]Cc2ccc3c[nH+]cn3c2)cn1 ZINC000922176789 748927951 /nfs/dbraw/zinc/92/79/51/748927951.db2.gz BHDCODNOPLBFKV-UHFFFAOYSA-N 2 0 273.315 1.790 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)CC[C@@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000844187903 748995488 /nfs/dbraw/zinc/99/54/88/748995488.db2.gz METXFVMMEFNURM-QLFBSQMISA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[C@H]1COCC[C@@H]1[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000924954095 749023853 /nfs/dbraw/zinc/02/38/53/749023853.db2.gz UVPVXRFESWMHSP-ZACQAIPSSA-N 2 0 297.487 1.521 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCOCC(F)(F)F ZINC000924809751 749049910 /nfs/dbraw/zinc/04/99/10/749049910.db2.gz LABMOYQYMPIYNW-ZACCUICWSA-N 2 0 266.307 1.495 10 0 CDAERP CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925811234 749064342 /nfs/dbraw/zinc/06/43/42/749064342.db2.gz ZDDQLTOEGBWRQY-LSDHHAIUSA-N 2 0 291.439 1.605 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(CO)cc1 ZINC000926630413 749132035 /nfs/dbraw/zinc/13/20/35/749132035.db2.gz GDUSRBZBMUSEKM-XYPWUTKMSA-N 2 0 260.381 1.609 10 0 CDAERP C[C@@H]1C[N@H+](CCOCCOc2ccccc2)CC[C@@H]1C[NH3+] ZINC000923499993 749233892 /nfs/dbraw/zinc/23/38/92/749233892.db2.gz PUAQVKRIZXNHMZ-HZPDHXFCSA-N 2 0 292.423 1.999 10 0 CDAERP C[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC(C)(C)S(C)(=O)=O ZINC000713995566 749302111 /nfs/dbraw/zinc/30/21/11/749302111.db2.gz IOANXZLPTRAFSY-YHWZYXNKSA-N 2 0 288.457 1.272 10 0 CDAERP OC[C@H]1CC[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925607666 749339485 /nfs/dbraw/zinc/33/94/85/749339485.db2.gz QKQYCJXXCRGJCI-HZSPNIEDSA-N 2 0 252.402 1.802 10 0 CDAERP COC1CC(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000703882851 749340946 /nfs/dbraw/zinc/34/09/46/749340946.db2.gz NVPZPPAIKSERCG-ADPBJBESSA-N 2 0 280.334 1.871 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000870992119 749341110 /nfs/dbraw/zinc/34/11/10/749341110.db2.gz ILITYFMUSPWVNA-IUODEOHRSA-N 2 0 267.417 1.210 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001571380369 1167593279 /nfs/dbraw/zinc/59/32/79/1167593279.db2.gz NEEKLOOBHJSOJE-KBPBESRZSA-N 2 0 269.433 1.563 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CCOC(C)C)C1 ZINC001502754494 1167774806 /nfs/dbraw/zinc/77/48/06/1167774806.db2.gz RQUYBZFDFOXXCV-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP CO[C@H](C)C[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001566484609 1168304244 /nfs/dbraw/zinc/30/42/44/1168304244.db2.gz PZBQETGUFWAKBO-ZNMIVQPWSA-N 2 0 299.459 1.190 10 0 CDAERP COCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H](C)C1 ZINC001671233106 1168427667 /nfs/dbraw/zinc/42/76/67/1168427667.db2.gz USNHETPHOQYIHS-KGLIPLIRSA-N 2 0 297.443 1.086 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001566903846 1168461935 /nfs/dbraw/zinc/46/19/35/1168461935.db2.gz WKZTZALFUVMZGN-HNNXBMFYSA-N 2 0 281.444 1.733 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CC[NH+](C)C ZINC001272302002 912726951 /nfs/dbraw/zinc/72/69/51/912726951.db2.gz MNAUBWDNFWZGBG-KGLIPLIRSA-N 2 0 269.433 1.469 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001266353141 894521837 /nfs/dbraw/zinc/52/18/37/894521837.db2.gz PGIPVKDMZQJWAY-KGLIPLIRSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001283145847 895996069 /nfs/dbraw/zinc/99/60/69/895996069.db2.gz ITIWPNPGPRSNKU-CHWSQXEVSA-N 2 0 255.406 1.364 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCC[NH+](C)CCC2CC2)CC[N@@H+]1C ZINC001480903903 896402739 /nfs/dbraw/zinc/40/27/39/896402739.db2.gz WZELGCHUTCKZBC-ZFWWWQNUSA-N 2 0 281.444 1.565 10 0 CDAERP COCCCC[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001267023010 896584189 /nfs/dbraw/zinc/58/41/89/896584189.db2.gz PQCMGAUZVDXUGH-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP C(CC1SCCS1)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000693778339 897290178 /nfs/dbraw/zinc/29/01/78/897290178.db2.gz WYNBOBJRYSXFMW-BSFRTMCYSA-N 2 0 270.467 1.769 10 0 CDAERP CC[N@@H+](CC=C(C)C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001267250608 897336568 /nfs/dbraw/zinc/33/65/68/897336568.db2.gz RLYPWSGSIUPFIX-OAHLLOKOSA-N 2 0 281.444 1.733 10 0 CDAERP CCC[NH2+]CCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001567570589 1168865914 /nfs/dbraw/zinc/86/59/14/1168865914.db2.gz ACCMCLVYWDWSMU-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP CCCC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001283534800 897603278 /nfs/dbraw/zinc/60/32/78/897603278.db2.gz ZLGPLSVKELWATP-GOEBONIOSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001267393928 897856763 /nfs/dbraw/zinc/85/67/63/897856763.db2.gz YKZJKENLYIFSFE-CQSZACIVSA-N 2 0 269.433 1.565 10 0 CDAERP CN(CC[NH2+]CCC1CCCC1)C(=O)Cc1ncc[nH]1 ZINC001267446025 897915286 /nfs/dbraw/zinc/91/52/86/897915286.db2.gz LKTNCHUQMROUTL-UHFFFAOYSA-N 2 0 278.400 1.581 10 0 CDAERP O[C@H](C[NH2+][C@H]1CCCC2(CC2)C1)C[NH+]1CCCC1 ZINC000695696184 899767719 /nfs/dbraw/zinc/76/77/19/899767719.db2.gz CZFNYVBLTZTDEQ-UONOGXRCSA-N 2 0 252.402 1.756 10 0 CDAERP CCCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001268000654 900239591 /nfs/dbraw/zinc/23/95/91/900239591.db2.gz OCCKVHNMRHNZJP-ILXRZTDVSA-N 2 0 283.460 1.859 10 0 CDAERP CCC[N@@H+]1CC[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001481461671 900768769 /nfs/dbraw/zinc/76/87/69/900768769.db2.gz GPIMJUGLUQKAIT-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001481464217 900794364 /nfs/dbraw/zinc/79/43/64/900794364.db2.gz JNHGBGWHGKHAHO-CVEARBPZSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@@H](C[NH2+]CCC(F)(F)F)N(C)C(=O)CC[NH+](C)C ZINC001268082574 901143534 /nfs/dbraw/zinc/14/35/34/901143534.db2.gz DGWHUXSWTSZSCZ-JTQLQIEISA-N 2 0 283.338 1.327 10 0 CDAERP COCCCC[N@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001268239993 901645552 /nfs/dbraw/zinc/64/55/52/901645552.db2.gz GJHBTFUKKLGKAO-OAHLLOKOSA-N 2 0 299.459 1.288 10 0 CDAERP CC/C=C/CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)[NH+](C)C ZINC001481681562 901781960 /nfs/dbraw/zinc/78/19/60/901781960.db2.gz MAJNRAQJLVNNBK-MMNKQPACSA-N 2 0 293.455 1.968 10 0 CDAERP CCN(CC[NH2+]CC(C)C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268460431 902174187 /nfs/dbraw/zinc/17/41/87/902174187.db2.gz CVHTUBJYIOIVTC-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)C[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268803045 903141810 /nfs/dbraw/zinc/14/18/10/903141810.db2.gz VWYZUYKYKGNBJD-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001269428247 903799572 /nfs/dbraw/zinc/79/95/72/903799572.db2.gz ITDRYMROZUADNM-CYBMUJFWSA-N 2 0 267.417 1.508 10 0 CDAERP O=C(NCC1([NH2+]CCCF)CC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001269505293 903870960 /nfs/dbraw/zinc/87/09/60/903870960.db2.gz AVLVPXJICBCUPE-KBPBESRZSA-N 2 0 297.418 1.601 10 0 CDAERP CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CCC1CC1)[NH+](C)C ZINC001270166407 904409475 /nfs/dbraw/zinc/40/94/75/904409475.db2.gz WBPQSCCDNHIZDS-GJZGRUSLSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C[NH2+]CCF)C1CCCC1)[NH+](C)C ZINC001270415590 904621785 /nfs/dbraw/zinc/62/17/85/904621785.db2.gz VEGGWPFRUNOJTD-UONOGXRCSA-N 2 0 287.423 1.561 10 0 CDAERP CC[C@@H](C(=O)NCC1=CC[N@@H+](C(C)C)CC1)[NH+](C)C ZINC001284975964 904659462 /nfs/dbraw/zinc/65/94/62/904659462.db2.gz AAIVJXLTMHHJHQ-AWEZNQCLSA-N 2 0 267.417 1.483 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]CC1=CCCCC1 ZINC001270594323 904769809 /nfs/dbraw/zinc/76/98/09/904769809.db2.gz FGLFDWADCRRDIW-HOCLYGCPSA-N 2 0 293.455 1.780 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000713067188 904941133 /nfs/dbraw/zinc/94/11/33/904941133.db2.gz JQLUNPFBYKCISV-OLZOCXBDSA-N 2 0 269.433 1.549 10 0 CDAERP CCCCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001270967556 905505668 /nfs/dbraw/zinc/50/56/68/905505668.db2.gz JKFQSELUDPOCFB-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001482690773 908289140 /nfs/dbraw/zinc/28/91/40/908289140.db2.gz BTTXOWFBZVJQHS-LSDHHAIUSA-N 2 0 293.455 1.757 10 0 CDAERP C[C@H](CC[NH2+]CC1CC(C)C1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001482865629 908442787 /nfs/dbraw/zinc/44/27/87/908442787.db2.gz LHTZGIXJRPBLCD-SHARSMKWSA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)=CC[NH2+]C/C=C/CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001483082333 909300704 /nfs/dbraw/zinc/30/07/04/909300704.db2.gz ONYYDIXAYYFRFP-RGDDUWESSA-N 2 0 279.428 1.556 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C[NH2+]CCC(C)(C)C)[NH+](C)C ZINC001483139671 909786178 /nfs/dbraw/zinc/78/61/78/909786178.db2.gz CWDFVKKMYNXZGF-CHWSQXEVSA-N 2 0 271.449 1.857 10 0 CDAERP CC[N@H+](C)C[C@@H](C)NC(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC001483339523 910937680 /nfs/dbraw/zinc/93/76/80/910937680.db2.gz IMNVOHKOHVJQFB-RISCZKNCSA-N 2 0 293.415 1.246 10 0 CDAERP CC[C@@H](C)C[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001483485891 911180837 /nfs/dbraw/zinc/18/08/37/911180837.db2.gz NYQXAUMHWUEPRZ-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001483605136 911311490 /nfs/dbraw/zinc/31/14/90/911311490.db2.gz FAAAUPMFIALKCF-GXTWGEPZSA-N 2 0 285.407 1.315 10 0 CDAERP CC(C)[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001484530195 915858205 /nfs/dbraw/zinc/85/82/05/915858205.db2.gz ATYFXGVDDGPPFT-CABCVRRESA-N 2 0 281.444 1.707 10 0 CDAERP CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+](C)C)C2 ZINC001484833078 916198478 /nfs/dbraw/zinc/19/84/78/916198478.db2.gz WZNCNVSXCWESNI-MRXNPFEDSA-N 2 0 281.444 1.663 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC(C)([NH2+]CCOCC)CC1 ZINC001484926427 916272533 /nfs/dbraw/zinc/27/25/33/916272533.db2.gz CBCDXONCZNCIGQ-UHFFFAOYSA-N 2 0 299.459 1.335 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001485041510 916405858 /nfs/dbraw/zinc/40/58/58/916405858.db2.gz QRPIMGOMRBBNSR-HNNXBMFYSA-N 2 0 283.460 1.953 10 0 CDAERP Cc1ncoc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001485230403 916686686 /nfs/dbraw/zinc/68/66/86/916686686.db2.gz TWGFCJMFWGOJDY-NWDGAFQWSA-N 2 0 296.415 1.306 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H](C)N(C)Cc1ccns1 ZINC001485387139 916938777 /nfs/dbraw/zinc/93/87/77/916938777.db2.gz DEWMYOIBBHMOIU-LBPRGKRZSA-N 2 0 298.456 1.420 10 0 CDAERP CC[NH2+][C@@H](CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001485440015 916971611 /nfs/dbraw/zinc/97/16/11/916971611.db2.gz NDFVFMIASUKONF-GJZGRUSLSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]CCC1CC1 ZINC001568208806 1169179844 /nfs/dbraw/zinc/17/98/44/1169179844.db2.gz HXIICYNMJKARCH-OCCSQVGLSA-N 2 0 267.417 1.080 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H](C)C1C[NH+](C(C)C)C1 ZINC001485506623 917047133 /nfs/dbraw/zinc/04/71/33/917047133.db2.gz OTEOLWHIJXIDIO-JSGCOSHPSA-N 2 0 287.423 1.511 10 0 CDAERP CCCC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)[C@@H]1C ZINC001486093063 920691656 /nfs/dbraw/zinc/69/16/56/920691656.db2.gz JVSLOIQPIQEZLU-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2cnc[nH]2)C1 ZINC001486124518 920729697 /nfs/dbraw/zinc/72/96/97/920729697.db2.gz QPYOAWXFMDYDTJ-GXTWGEPZSA-N 2 0 278.400 1.577 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2cnc[nH]2)C1 ZINC001486124520 920731031 /nfs/dbraw/zinc/73/10/31/920731031.db2.gz QPYOAWXFMDYDTJ-OCCSQVGLSA-N 2 0 278.400 1.577 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001486219061 920829754 /nfs/dbraw/zinc/82/97/54/920829754.db2.gz QMQYEMUKMMATEG-KGLIPLIRSA-N 2 0 269.433 1.613 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)(C)C ZINC001486397547 920965126 /nfs/dbraw/zinc/96/51/26/920965126.db2.gz QHDOPGHRJWDBRK-KBPBESRZSA-N 2 0 281.444 1.469 10 0 CDAERP CC[C@H](C)C[NH2+]C1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001486475191 921050290 /nfs/dbraw/zinc/05/02/90/921050290.db2.gz CKXSLOQEZICFOO-HSBZDZAISA-N 2 0 269.433 1.563 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)C1CC([NH2+]CCCF)C1 ZINC001486480605 921056881 /nfs/dbraw/zinc/05/68/81/921056881.db2.gz WAWNTFVRZKFKEW-UHFFFAOYSA-N 2 0 273.396 1.267 10 0 CDAERP CC(C)=CC[NH2+]CCOCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001486493069 921066954 /nfs/dbraw/zinc/06/69/54/921066954.db2.gz LUXVFAPPBDCTRT-OAHLLOKOSA-N 2 0 297.443 1.111 10 0 CDAERP CC(C)=CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CCC1 ZINC001273055357 921848873 /nfs/dbraw/zinc/84/88/73/921848873.db2.gz HSJBLGNYNMSSCX-AWEZNQCLSA-N 2 0 279.428 1.675 10 0 CDAERP C[NH+](C)CC1(O)CC[NH+](C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000710588660 923254559 /nfs/dbraw/zinc/25/45/59/923254559.db2.gz NUDDNCALBBMRNI-BTTYYORXSA-N 2 0 252.402 1.421 10 0 CDAERP C(C[NH2+]C1CC1)CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000923364285 923778650 /nfs/dbraw/zinc/77/86/50/923778650.db2.gz LTCJSQDPRCHHON-DZGCQCFKSA-N 2 0 251.418 1.593 10 0 CDAERP CCOCC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001568369143 1169264611 /nfs/dbraw/zinc/26/46/11/1169264611.db2.gz IOMNPMOVWGVZHV-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]C/C=C/Cl ZINC001491486749 936923114 /nfs/dbraw/zinc/92/31/14/936923114.db2.gz OMGUUJGFOCFXFP-IVBLRQQYSA-N 2 0 287.835 1.708 10 0 CDAERP CCN(CC[NH2+]C/C=C\Cl)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001273751969 925212595 /nfs/dbraw/zinc/21/25/95/925212595.db2.gz AXTIHWHXAXEJRW-TXNVCOODSA-N 2 0 273.808 1.129 10 0 CDAERP CCC[NH2+][C@@H](CC)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001494999124 926615912 /nfs/dbraw/zinc/61/59/12/926615912.db2.gz GZIDFUPGMBTNKM-UONOGXRCSA-N 2 0 269.433 1.755 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001488651939 926635667 /nfs/dbraw/zinc/63/56/67/926635667.db2.gz CGZDKMVDHUPQBK-LQYUOIDQSA-N 2 0 281.444 1.827 10 0 CDAERP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001410840158 926650487 /nfs/dbraw/zinc/65/04/87/926650487.db2.gz CTFOVYTUYBMWCU-DZGCQCFKSA-N 2 0 283.460 1.953 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](CNC(=O)Cn2ccnc2C)C1 ZINC001488793766 926717497 /nfs/dbraw/zinc/71/74/97/926717497.db2.gz JJKGEYRPSFBAPJ-OKILXGFUSA-N 2 0 278.400 1.476 10 0 CDAERP CC[N@H+](C)CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001490281507 927081399 /nfs/dbraw/zinc/08/13/99/927081399.db2.gz LESNVWKIEAGRRE-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP CCCC[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001490390060 927144749 /nfs/dbraw/zinc/14/47/49/927144749.db2.gz JVLXGDQPNDRCMS-UHFFFAOYSA-N 2 0 293.455 1.853 10 0 CDAERP CC(C)=CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001490645727 927258334 /nfs/dbraw/zinc/25/83/34/927258334.db2.gz WONJJRUKAAIFNO-LSDHHAIUSA-N 2 0 279.428 1.531 10 0 CDAERP C[N@H+]1CC=C(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC1 ZINC000693724352 937250852 /nfs/dbraw/zinc/25/08/52/937250852.db2.gz SDFSYIYBGUEHNQ-QLFBSQMISA-N 3 0 263.429 1.615 10 0 CDAERP O=C(NC/C=C\C[NH2+]CCCF)C12CCC[NH+]1CCC2 ZINC001274160757 931210905 /nfs/dbraw/zinc/21/09/05/931210905.db2.gz CLTNOIRARPFBRC-UPHRSURJSA-N 2 0 283.391 1.236 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)NC/C=C\C[NH2+]C(C)C)C1 ZINC001274297812 931488937 /nfs/dbraw/zinc/48/89/37/931488937.db2.gz JZVHPQQLPRHXHZ-YVACAVLKSA-N 2 0 281.444 1.779 10 0 CDAERP [NH3+]C1CC(CC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000718118127 931588526 /nfs/dbraw/zinc/58/85/26/931588526.db2.gz KNPIBLQFTGNZHD-JXQTWKCFSA-N 2 0 265.401 1.201 10 0 CDAERP CC(C)OCC[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001274967659 931620628 /nfs/dbraw/zinc/62/06/28/931620628.db2.gz LXWIZEWKUQCLIV-OAHLLOKOSA-N 2 0 299.459 1.238 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C[NH2+]CCC(C)C)[NH+](C)C ZINC001275410858 931778666 /nfs/dbraw/zinc/77/86/66/931778666.db2.gz VWCAXSDRVMHGTG-QWHCGFSZSA-N 2 0 257.422 1.467 10 0 CDAERP CCCC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001279193216 931830456 /nfs/dbraw/zinc/83/04/56/931830456.db2.gz JRDHMZXGXKKJTH-CABCVRRESA-N 2 0 281.444 1.566 10 0 CDAERP CC[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH+](C(C)C)C2)[C@@H](C)C1 ZINC001412108531 932269879 /nfs/dbraw/zinc/26/98/79/932269879.db2.gz MGVZCCHPWNQBIR-LSDHHAIUSA-N 2 0 281.444 1.659 10 0 CDAERP C[NH+](C)C1(C(=O)NC[C@@]2([NH+](C)C)CCSC2)CCCC1 ZINC001412627829 932572879 /nfs/dbraw/zinc/57/28/79/932572879.db2.gz LWBNOYVMBHCKRJ-AWEZNQCLSA-N 2 0 299.484 1.414 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@H](Cn1ccnc1)C(C)(C)C ZINC000234753146 932592152 /nfs/dbraw/zinc/59/21/52/932592152.db2.gz ZQMUSQLMDBJXGT-ZIAGYGMSSA-N 3 0 282.432 1.641 10 0 CDAERP CCCC[C@H](C[NH2+]CC)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001276255310 932691867 /nfs/dbraw/zinc/69/18/67/932691867.db2.gz NCXZQAFLWYTJPY-KGLIPLIRSA-N 2 0 269.433 1.755 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)CC1CCCC1 ZINC001441005301 932869595 /nfs/dbraw/zinc/86/95/95/932869595.db2.gz ANCUBWVAQVRUCO-ZFWWWQNUSA-N 2 0 281.444 1.565 10 0 CDAERP COC(=O)c1cnc(C[NH2+]CCC2CC[NH+](C)CC2)s1 ZINC001119443007 937720144 /nfs/dbraw/zinc/72/01/44/937720144.db2.gz GEKOPTAZJYNRRO-UHFFFAOYSA-N 2 0 297.424 1.751 10 0 CDAERP C[N@H+](CCCO)C1CC[NH+](CC2(O)CCCCCC2)CC1 ZINC001412945931 935110595 /nfs/dbraw/zinc/11/05/95/935110595.db2.gz YZWSWGSHZJUZLU-UHFFFAOYSA-N 2 0 298.471 1.850 10 0 CDAERP CC[C@@](C)(O)C[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001413093988 935899739 /nfs/dbraw/zinc/89/97/39/935899739.db2.gz XERODLPDFDBRCU-OAHLLOKOSA-N 2 0 284.444 1.460 10 0 CDAERP C[NH+](C)CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000250348971 938952970 /nfs/dbraw/zinc/95/29/70/938952970.db2.gz IQRDFPSSILOWJE-MJBXVCDLSA-N 2 0 267.417 1.365 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]CCc2ccc3c(c2)OCCO3)C12CCC2 ZINC000405257021 940977234 /nfs/dbraw/zinc/97/72/34/940977234.db2.gz MWUCADOZTGYCDT-CVEARBPZSA-N 2 0 288.391 1.860 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N(CC)CC[NH2+]CCF)C1 ZINC001568768792 1169467158 /nfs/dbraw/zinc/46/71/58/1169467158.db2.gz GITZPVRQEXNKCR-AWEZNQCLSA-N 2 0 287.423 1.516 10 0 CDAERP C[C@@H]1CC[C@H](C[NH+]2CCC(O)(C[NH+]3CCCCC3)CC2)O1 ZINC001473877608 970875490 /nfs/dbraw/zinc/87/54/90/970875490.db2.gz VYNFSQFNLBZWRI-HZPDHXFCSA-N 2 0 296.455 1.867 10 0 CDAERP C[N@H+](C[C@H](O)CN1CCCC[C@@]12CCOC2)C1CC1 ZINC001473895304 970886932 /nfs/dbraw/zinc/88/69/32/970886932.db2.gz GLICBUBAGDDOLZ-GJZGRUSLSA-N 2 0 268.401 1.087 10 0 CDAERP C[C@@H](CCC[NH2+]CC1CC1)NC(=O)C1CC[NH+](C)CC1 ZINC001277291089 942301447 /nfs/dbraw/zinc/30/14/47/942301447.db2.gz OUYHGTMRBSNFLG-ZDUSSCGKSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@H](CCC[NH2+]CCF)NC(=O)C[NH+]1CCC(C)CC1 ZINC001277330257 942378324 /nfs/dbraw/zinc/37/83/24/942378324.db2.gz YZQXAUHKUALHHP-CQSZACIVSA-N 2 0 287.423 1.562 10 0 CDAERP CC[C@H](C(=O)NCC1=CC[N@@H+](C(C)C)CC1)[NH+](C)C ZINC001279581248 942396180 /nfs/dbraw/zinc/39/61/80/942396180.db2.gz AAIVJXLTMHHJHQ-CQSZACIVSA-N 2 0 267.417 1.483 10 0 CDAERP CC[C@H](F)C[NH2+]CC[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001280187750 942422632 /nfs/dbraw/zinc/42/26/32/942422632.db2.gz ZCTRUQPANGQJDA-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001280452326 942444455 /nfs/dbraw/zinc/44/44/55/942444455.db2.gz YGUIAZTYTKLBNI-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP CCC[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CCO1 ZINC001280681596 942473790 /nfs/dbraw/zinc/47/37/90/942473790.db2.gz KBRSMTJCZDWAFW-HNNXBMFYSA-N 2 0 297.443 1.089 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH+](C)CC1CC1 ZINC001282411933 942709387 /nfs/dbraw/zinc/70/93/87/942709387.db2.gz LLLISGYNFVVRJU-OCCSQVGLSA-N 2 0 267.417 1.317 10 0 CDAERP CC[N@@H+]1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001282834633 942755752 /nfs/dbraw/zinc/75/57/52/942755752.db2.gz XCCHWGDHBULBBE-STQMWFEESA-N 2 0 269.433 1.419 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001283630990 942952657 /nfs/dbraw/zinc/95/26/57/942952657.db2.gz HXMPJGVHSDAZIJ-KBPBESRZSA-N 2 0 269.433 1.563 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH+]1CC[C@@H](F)C1 ZINC001362150314 970948414 /nfs/dbraw/zinc/94/84/14/970948414.db2.gz ZOPNPZMPRDFZID-KGLIPLIRSA-N 2 0 285.407 1.411 10 0 CDAERP CC(C)[NH2+][C@H](C)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001283702192 942972860 /nfs/dbraw/zinc/97/28/60/942972860.db2.gz JHCURORAEWHXQX-CHWSQXEVSA-N 2 0 255.406 1.173 10 0 CDAERP CC(C)[N@H+](C)CCOCCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001264107504 944078414 /nfs/dbraw/zinc/07/84/14/944078414.db2.gz VIYSKIFYJBVOIW-HNNXBMFYSA-N 2 0 299.459 1.286 10 0 CDAERP CC[N@H+](CCCF)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001265104503 944231632 /nfs/dbraw/zinc/23/16/32/944231632.db2.gz VHVLUZAHFNUPRA-CYBMUJFWSA-N 2 0 273.396 1.268 10 0 CDAERP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCCCCF)C1)[NH+](C)C ZINC001265446450 944391735 /nfs/dbraw/zinc/39/17/35/944391735.db2.gz HRAQGXOTFDOCPG-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP C[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CCCCCF)C2)CC1 ZINC001265556130 944427453 /nfs/dbraw/zinc/42/74/53/944427453.db2.gz UCARHBZGNHDTJC-GASCZTMLSA-N 2 0 299.434 1.705 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001265566148 944431643 /nfs/dbraw/zinc/43/16/43/944431643.db2.gz BNOAQQHMEZJYFP-QLFBSQMISA-N 2 0 283.460 2.000 10 0 CDAERP CC(C)C[NH2+][C@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001277988919 944525941 /nfs/dbraw/zinc/52/59/41/944525941.db2.gz UQHIQUFHPZFZDK-CYBMUJFWSA-N 2 0 267.417 1.175 10 0 CDAERP O=C(CCCC[NH+]1CCCC1)N1CC[C@H]([NH2+]CC2CC2)C1 ZINC001265949696 944590520 /nfs/dbraw/zinc/59/05/20/944590520.db2.gz YWWJFLUAGALBFA-INIZCTEOSA-N 2 0 293.455 1.853 10 0 CDAERP CC[C@H](C)C[NH2+][C@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001278017955 944593357 /nfs/dbraw/zinc/59/33/57/944593357.db2.gz RTMXJVKUWGUOMH-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP CCC[N@H+](C)CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001265954425 944594723 /nfs/dbraw/zinc/59/47/23/944594723.db2.gz QTRDQLJUQQTSET-ZDUSSCGKSA-N 2 0 255.406 1.176 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CCCC1 ZINC001362275480 971103920 /nfs/dbraw/zinc/10/39/20/971103920.db2.gz GAEFLLVZTPTCNN-AWEZNQCLSA-N 2 0 279.428 1.461 10 0 CDAERP CC(C)C[NH2+]C/C=C/CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001568865497 1169524843 /nfs/dbraw/zinc/52/48/43/1169524843.db2.gz FFPYURPGCFNUAU-MBVDDHJVSA-N 2 0 281.444 1.779 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)NCC2(C)CC[NH+](C)CC2)C1 ZINC001362355261 971185122 /nfs/dbraw/zinc/18/51/22/971185122.db2.gz ZVHPUNVABSVIKA-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP CCOCCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H]1C ZINC001278324076 946153681 /nfs/dbraw/zinc/15/36/81/946153681.db2.gz BZAWXXSYLXUSQZ-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP CC[N@@H+]1CC[C@H]1C(=O)N(C)CCC[NH+](C)Cc1ccco1 ZINC001362423960 971257513 /nfs/dbraw/zinc/25/75/13/971257513.db2.gz CVAWOTNSZDFKOK-HNNXBMFYSA-N 2 0 293.411 1.654 10 0 CDAERP CC1CC(C[NH2+]C/C=C/CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001568952449 1169560559 /nfs/dbraw/zinc/56/05/59/1169560559.db2.gz ZKEWEIWKDITKHM-QLSBYTBFSA-N 2 0 293.455 1.636 10 0 CDAERP C[C@H]([NH2+]CC1CC1)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001279038048 948631443 /nfs/dbraw/zinc/63/14/43/948631443.db2.gz DKBCEDBJMYGGQZ-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCCO2)C1 ZINC001480238223 971642173 /nfs/dbraw/zinc/64/21/73/971642173.db2.gz PVURVGHOJNYYRN-ZNMIVQPWSA-N 2 0 297.443 1.133 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1CCC[N@H+](CCF)C1 ZINC001480384633 971696621 /nfs/dbraw/zinc/69/66/21/971696621.db2.gz XDKHOTRJVKYADQ-CHWSQXEVSA-N 2 0 273.396 1.124 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]CCC1CCOCC1 ZINC001569099288 1169644940 /nfs/dbraw/zinc/64/49/40/1169644940.db2.gz XWJHFHVNZIIBLH-AWEZNQCLSA-N 2 0 299.459 1.238 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]C(C)C)C(C)(C)C1 ZINC001278677828 951605018 /nfs/dbraw/zinc/60/50/18/951605018.db2.gz SOYPNZKTFPDBLN-CYBMUJFWSA-N 2 0 269.433 1.563 10 0 CDAERP CC[C@H](C(=O)N1CC[C@@H](C[NH2+]CC=C(C)C)C1)[NH+](C)C ZINC001480674504 971833118 /nfs/dbraw/zinc/83/31/18/971833118.db2.gz REKZPKHNHABABS-LSDHHAIUSA-N 2 0 281.444 1.731 10 0 CDAERP C[C@H](C[N@H+](C)CC1CC(C)C1)NC(=O)CC[NH+](C)C ZINC001569136339 1169682406 /nfs/dbraw/zinc/68/24/06/1169682406.db2.gz PRSPYABBLKSIND-ROKHWSDSSA-N 2 0 269.433 1.421 10 0 CDAERP C[C@@H](CCNC(=O)CC[NH+](C)C)[NH2+]Cc1cncs1 ZINC001480790143 971881233 /nfs/dbraw/zinc/88/12/33/971881233.db2.gz MMMXBLGZSALJJH-NSHDSACASA-N 2 0 284.429 1.079 10 0 CDAERP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCCC2)CC[N@@H+](C2CC2)C1 ZINC001363168130 971942076 /nfs/dbraw/zinc/94/20/76/971942076.db2.gz VBNOHYAVXJXZMT-AWEZNQCLSA-N 2 0 293.455 1.804 10 0 CDAERP CC[C@H](C(=O)N1CC[C@](C)(C[NH2+]C(C)C)C1)[NH+](C)C ZINC001324817799 953589441 /nfs/dbraw/zinc/58/94/41/953589441.db2.gz MTBTYAYJPHFXPX-UKRRQHHQSA-N 2 0 269.433 1.563 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC001290770653 954074424 /nfs/dbraw/zinc/07/44/24/954074424.db2.gz YZSPIECMQVIBMX-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC[NH+](CC2CCC2)C1 ZINC001493266246 972001668 /nfs/dbraw/zinc/00/16/68/972001668.db2.gz DKVQWKQLINEIEM-HNNXBMFYSA-N 2 0 281.444 1.565 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H](CC[NH2+]CCF)C1 ZINC001326290763 954304467 /nfs/dbraw/zinc/30/44/67/954304467.db2.gz QEKYQECKEKCYPE-CABCVRRESA-N 2 0 299.434 1.659 10 0 CDAERP C[NH2+]Cc1ccc(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC001326291864 954305429 /nfs/dbraw/zinc/30/54/29/954305429.db2.gz DZDQFEWAIMLMPO-ZIAGYGMSSA-N 2 0 261.369 1.862 10 0 CDAERP O=C(CCC[NH+]1CCCC1)N1CC[C@H](CC[NH2+]CCF)C1 ZINC001326438633 954383179 /nfs/dbraw/zinc/38/31/79/954383179.db2.gz SWAWUTPFGXBTMC-HNNXBMFYSA-N 2 0 299.434 1.660 10 0 CDAERP CN(CC[NH2+]C/C=C\Cl)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001493589108 972086746 /nfs/dbraw/zinc/08/67/46/972086746.db2.gz DHDFTAMEVVEYJF-AKMKWWRZSA-N 2 0 299.846 1.804 10 0 CDAERP O[C@H]1CCCC[C@H]1C[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001363331371 972090281 /nfs/dbraw/zinc/09/02/81/972090281.db2.gz ZUJNNRXVBXWMRR-YOEHRIQHSA-N 2 0 296.455 1.771 10 0 CDAERP O=C(N1CC[C@H](C[NH2+]CCF)C1)C12CCC[NH+](CCC1)C2 ZINC001491814195 955479974 /nfs/dbraw/zinc/47/99/74/955479974.db2.gz IGKQIRORDCAOIZ-CQSZACIVSA-N 2 0 297.418 1.270 10 0 CDAERP CC[C@@H](C(=O)N(C)CC[NH2+]Cc1ccns1)[NH+](C)C ZINC001493700980 972102537 /nfs/dbraw/zinc/10/25/37/972102537.db2.gz ZVIBKIIPMCHICW-LBPRGKRZSA-N 2 0 284.429 1.031 10 0 CDAERP CCOCC[N@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001492252080 955757317 /nfs/dbraw/zinc/75/73/17/955757317.db2.gz HPIRGLLILGJRQH-UHFFFAOYSA-N 2 0 299.459 1.335 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001492285892 955782897 /nfs/dbraw/zinc/78/28/97/955782897.db2.gz AHEWASHKOSIFBP-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CC[NH+](C3CCCC3)[C@@H](C)C2)CC[N@@H+]1C ZINC001363396209 972136106 /nfs/dbraw/zinc/13/61/06/972136106.db2.gz LNRVJAPOQMUVBI-SQWLQELKSA-N 2 0 293.455 1.802 10 0 CDAERP CN(C(=O)CC[N@@H+]1CC[C@@H](F)C1)C(C)(C)C[NH+]1CCCC1 ZINC001363447402 972174640 /nfs/dbraw/zinc/17/46/40/972174640.db2.gz GARGJOXYQABUKH-CQSZACIVSA-N 2 0 299.434 1.753 10 0 CDAERP CC[N@@H+]1C[C@@]2(C)CN(C(=O)CCCC[NH+](C)C)C[C@@]2(C)C1 ZINC001330538945 956467622 /nfs/dbraw/zinc/46/76/22/956467622.db2.gz TVTRUVQWOYDMQW-CALCHBBNSA-N 2 0 295.471 1.909 10 0 CDAERP C[C@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CC1CC1 ZINC001423045321 956536330 /nfs/dbraw/zinc/53/63/30/956536330.db2.gz BGMWOXVSEBRUEL-IUODEOHRSA-N 2 0 279.428 1.175 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CC[C@H]([NH2+]C/C=C/Cl)C2)CC[N@@H+]1C ZINC001366091776 956558466 /nfs/dbraw/zinc/55/84/66/956558466.db2.gz LRAIJZUORMZRFV-MXFADWRWSA-N 2 0 299.846 1.660 10 0 CDAERP CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ocnc1C)[NH+](C)C ZINC001423128697 956613208 /nfs/dbraw/zinc/61/32/08/956613208.db2.gz MGGZXLLXDPMMGC-YPMHNXCESA-N 2 0 296.415 1.260 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)NC[C@H]1CCCC[N@@H+]1CC ZINC001366205191 956639739 /nfs/dbraw/zinc/63/97/39/956639739.db2.gz VTRBZFKGBOPCDR-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)CCC[NH+]1CC(N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001423415116 956767753 /nfs/dbraw/zinc/76/77/53/956767753.db2.gz RNWWRUXQQDFIDA-UHFFFAOYSA-N 2 0 295.471 1.907 10 0 CDAERP CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001423577617 956873565 /nfs/dbraw/zinc/87/35/65/956873565.db2.gz LBCYLLLBNVGCIH-GOEBONIOSA-N 2 0 281.444 1.851 10 0 CDAERP CN(CCF)CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001366585820 956992583 /nfs/dbraw/zinc/99/25/83/956992583.db2.gz RBKVUYZMAFJFBC-QWHCGFSZSA-N 2 0 273.396 1.124 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]1CCC(C)C ZINC001366664170 957095481 /nfs/dbraw/zinc/09/54/81/957095481.db2.gz FORWAEKJWMVFJQ-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[N@H+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)C1CC1 ZINC001366740766 957156754 /nfs/dbraw/zinc/15/67/54/957156754.db2.gz DNHNZLODZUALSC-HOTGVXAUSA-N 2 0 293.455 1.994 10 0 CDAERP C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]CCCCCF ZINC001331612983 957167410 /nfs/dbraw/zinc/16/74/10/957167410.db2.gz BTPHFIHLANXXGB-CQSZACIVSA-N 2 0 299.434 1.659 10 0 CDAERP C[NH+](C)CCC(=O)NC1CC(C[NH2+]Cc2cscn2)C1 ZINC001424731717 957325134 /nfs/dbraw/zinc/32/51/34/957325134.db2.gz PJLIQNUKYZQBQL-UHFFFAOYSA-N 2 0 296.440 1.079 10 0 CDAERP C[C@@H]1[C@@H]([NH2+]CC2CC2)CCN1C(=O)CCCC[NH+](C)C ZINC001331930680 957343967 /nfs/dbraw/zinc/34/39/67/957343967.db2.gz YGVPHAVQRTXUKJ-HIFRSBDPSA-N 2 0 281.444 1.707 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC001367043481 957362432 /nfs/dbraw/zinc/36/24/32/957362432.db2.gz GVDPSJDZYFCNCR-UONOGXRCSA-N 2 0 287.423 1.607 10 0 CDAERP CCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001317260279 957385862 /nfs/dbraw/zinc/38/58/62/957385862.db2.gz PBIXQBCJVVORRG-KGLIPLIRSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@H]1C[C@H]([NH2+]CCCF)CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001332031483 957407884 /nfs/dbraw/zinc/40/78/84/957407884.db2.gz YCQXEEDMXKFTMB-STQMWFEESA-N 2 0 285.407 1.267 10 0 CDAERP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCCF ZINC001317394076 957450906 /nfs/dbraw/zinc/45/09/06/957450906.db2.gz XQTFPWBZZUIKRV-JHJVBQTASA-N 2 0 273.396 1.171 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CC1=CCCCC1 ZINC001317469344 957497983 /nfs/dbraw/zinc/49/79/83/957497983.db2.gz FHVGQGWRLALHMT-HNNXBMFYSA-N 2 0 279.428 1.487 10 0 CDAERP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccccn1 ZINC001425544820 957562788 /nfs/dbraw/zinc/56/27/88/957562788.db2.gz LESHLRIFODYYLE-HIFRSBDPSA-N 2 0 290.411 1.112 10 0 CDAERP CC(C)=CC[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001317623113 957604449 /nfs/dbraw/zinc/60/44/49/957604449.db2.gz QBQUVFYOTPEPBB-GJZGRUSLSA-N 2 0 281.444 1.731 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1[NH+](CCOC)CC2 ZINC001425917141 957642296 /nfs/dbraw/zinc/64/22/96/957642296.db2.gz VSVFLVZUVLLWHC-ZBFHGGJFSA-N 2 0 297.443 1.088 10 0 CDAERP CC[N@@H+]1CC[C@@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001317811490 957665535 /nfs/dbraw/zinc/66/55/35/957665535.db2.gz MYLIIVUNIQGWMR-CYBMUJFWSA-N 2 0 255.406 1.175 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)C[NH2+]CC(C)C ZINC001332722825 957689533 /nfs/dbraw/zinc/68/95/33/957689533.db2.gz GPRUXQISESMCKH-UHFFFAOYSA-N 2 0 263.385 1.268 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001367200037 957839942 /nfs/dbraw/zinc/83/99/42/957839942.db2.gz IEQGBISLASUSFU-KBUPBQIOSA-N 2 0 299.434 1.703 10 0 CDAERP CCCCC[NH+]1CC(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001318135487 957938629 /nfs/dbraw/zinc/93/86/29/957938629.db2.gz FHWDCCBQHCJKMI-UHFFFAOYSA-N 2 0 293.455 1.853 10 0 CDAERP CC(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001367348590 957960227 /nfs/dbraw/zinc/96/02/27/957960227.db2.gz GQLHCGNKIHGBOW-ZFWWWQNUSA-N 2 0 281.444 1.421 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001318319491 958033486 /nfs/dbraw/zinc/03/34/86/958033486.db2.gz KXQSUZIBQCHYLL-YJQVQVLHSA-N 2 0 279.428 1.627 10 0 CDAERP CCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001318370010 958062811 /nfs/dbraw/zinc/06/28/11/958062811.db2.gz DBZVXQMSAQHDNV-HUUCEWRRSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001494841995 972322172 /nfs/dbraw/zinc/32/21/72/972322172.db2.gz NUPKIRBQAQDPEV-UONOGXRCSA-N 2 0 299.434 1.609 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)[C@H]1CC[NH+](CCC2CC2)C1 ZINC001494863836 972325485 /nfs/dbraw/zinc/32/54/85/972325485.db2.gz ORPSTCWSCDOIDE-HNNXBMFYSA-N 2 0 281.444 1.661 10 0 CDAERP CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001318604690 958197733 /nfs/dbraw/zinc/19/77/33/958197733.db2.gz FFNOSIGLMLGMQQ-OLZOCXBDSA-N 2 0 255.406 1.365 10 0 CDAERP C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)n1ccnc1 ZINC001318688534 958230399 /nfs/dbraw/zinc/23/03/99/958230399.db2.gz JXOPYVHGIVEEPA-FRRDWIJNSA-N 2 0 264.373 1.385 10 0 CDAERP CCCC[NH2+]C[C@](C)(NC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001318712043 958239482 /nfs/dbraw/zinc/23/94/82/958239482.db2.gz WSYHEGQWHZVRHJ-ZBFHGGJFSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C[NH2+]C/C=C/Cl ZINC001319245884 958453708 /nfs/dbraw/zinc/45/37/08/958453708.db2.gz PJUOTVSXBWVUMV-ZTGIWPAFSA-N 2 0 287.835 1.423 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+]2CC2CCCC2)C1 ZINC001367953036 958512310 /nfs/dbraw/zinc/51/23/10/958512310.db2.gz CEPSHRVMICIYEP-GDBMZVCRSA-N 2 0 293.455 1.709 10 0 CDAERP COCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001319618909 958659254 /nfs/dbraw/zinc/65/92/54/958659254.db2.gz HMSXCWIOGIZFFC-HUUCEWRRSA-N 2 0 299.459 1.238 10 0 CDAERP CC(C)OCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001319697419 958692152 /nfs/dbraw/zinc/69/21/52/958692152.db2.gz UCMRDIKIXHKWRN-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC2CC2)C1 ZINC001368187279 958692440 /nfs/dbraw/zinc/69/24/40/958692440.db2.gz PWLPPEQSFCNCTO-RDJZCZTQSA-N 2 0 293.455 1.709 10 0 CDAERP COCCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001319818978 958739852 /nfs/dbraw/zinc/73/98/52/958739852.db2.gz IPNVUDNMUPIARH-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP Cc1cnc([C@@H](C)[NH2+][C@@H](C)CCNC(=O)CC[NH+](C)C)o1 ZINC001368734593 959092285 /nfs/dbraw/zinc/09/22/85/959092285.db2.gz GFDSGYYVGALDSG-WCQYABFASA-N 2 0 296.415 1.480 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCN1C/C=C\Cl ZINC001368769680 959116656 /nfs/dbraw/zinc/11/66/56/959116656.db2.gz XVXPHTRGKQWVBP-DQXQJKBJSA-N 2 0 299.846 1.802 10 0 CDAERP C[C@H](NC(=O)C12CCC[NH+]1CCC2)[C@H](C)[NH2+]CCC1CC1 ZINC001368871426 959210513 /nfs/dbraw/zinc/21/05/13/959210513.db2.gz PQXBQGXAILCYEQ-KBPBESRZSA-N 2 0 293.455 1.898 10 0 CDAERP C[C@@H](CC[NH2+]CCCF)NC(=O)CC1CC[NH+](C)CC1 ZINC001320571053 959247444 /nfs/dbraw/zinc/24/74/44/959247444.db2.gz UOENLTRPJILGKW-ZDUSSCGKSA-N 2 0 287.423 1.562 10 0 CDAERP CC[NH2+]CC[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001320573172 959247614 /nfs/dbraw/zinc/24/76/14/959247614.db2.gz BWEGSKVCQLVQEC-ZDUSSCGKSA-N 2 0 277.412 1.866 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH+](C)CC2CC2)CC[N@@H+]1C ZINC001368951249 959316376 /nfs/dbraw/zinc/31/63/76/959316376.db2.gz AAKJABCLWOYPSE-AEGPPILISA-N 2 0 281.444 1.563 10 0 CDAERP CCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001368957726 959325279 /nfs/dbraw/zinc/32/52/79/959325279.db2.gz CEWIDJCONLVKIG-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)CC[NH+]1CC([C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001369087124 959449422 /nfs/dbraw/zinc/44/94/22/959449422.db2.gz FEPPOQKXZLJZSY-HUUCEWRRSA-N 2 0 295.471 1.811 10 0 CDAERP O=C(NC/C=C/C[NH2+]CCF)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001321089909 959587735 /nfs/dbraw/zinc/58/77/35/959587735.db2.gz COQFOHFJQVYDHI-BWPKMQGJSA-N 2 0 297.418 1.625 10 0 CDAERP CC(C)C[NH2+][C@H](C)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001369267433 959594719 /nfs/dbraw/zinc/59/47/19/959594719.db2.gz VLFDHMGYVKGPBI-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP O=C(C[NH+]1CCCC1)NC/C=C/C[NH2+]CC1CCC1 ZINC001321403551 959768678 /nfs/dbraw/zinc/76/86/78/959768678.db2.gz OIRCUQMTNCBWKF-OWOJBTEDSA-N 2 0 265.401 1.144 10 0 CDAERP CC[N@H+](C)[C@@H](C(=O)N[C@H](C)C[NH2+]CCF)c1ccccc1 ZINC001321710880 959917752 /nfs/dbraw/zinc/91/77/52/959917752.db2.gz VLJCXDNBVPXAAJ-UKRRQHHQSA-N 2 0 295.402 1.743 10 0 CDAERP C[C@H](C[NH2+]CCCC(C)(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001321740305 959927898 /nfs/dbraw/zinc/92/78/98/959927898.db2.gz VYKOOMLHYKWELC-KGLIPLIRSA-N 2 0 283.460 1.859 10 0 CDAERP Cc1ccncc1C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001370010300 959956537 /nfs/dbraw/zinc/95/65/37/959956537.db2.gz CGSMNBLATQWUIE-HNNXBMFYSA-N 2 0 290.411 1.032 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001322003767 960051780 /nfs/dbraw/zinc/05/17/80/960051780.db2.gz BKTHVXKPRWUFIR-AWEZNQCLSA-N 2 0 281.444 1.779 10 0 CDAERP C[C@@H](F)CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001370521397 960136961 /nfs/dbraw/zinc/13/69/61/960136961.db2.gz SKLISOIPQFGMEO-CRWXNKLISA-N 2 0 285.407 1.313 10 0 CDAERP CC[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001322258622 960156536 /nfs/dbraw/zinc/15/65/36/960156536.db2.gz OVGZRJZZDSEGGT-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP COc1cccc(C[NH2+][C@@H](C)CNC(=O)CC[NH+](C)C)c1 ZINC001371353399 972484843 /nfs/dbraw/zinc/48/48/43/972484843.db2.gz UTGITUZIKUAHPA-ZDUSSCGKSA-N 2 0 293.411 1.241 10 0 CDAERP CCCC[N@@H+]1CCC[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001370785796 960200781 /nfs/dbraw/zinc/20/07/81/960200781.db2.gz QXFVOLCJPKVJFM-HOTGVXAUSA-N 2 0 295.471 1.957 10 0 CDAERP CCC(CC)C[NH2+][C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001371363111 972490205 /nfs/dbraw/zinc/49/02/05/972490205.db2.gz KVAGXBYEPVFZRG-UONOGXRCSA-N 2 0 283.460 1.859 10 0 CDAERP COC[C@@H](C)[NH2+]CCCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001322640600 960285605 /nfs/dbraw/zinc/28/56/05/960285605.db2.gz KDIPDVPEVZCFIG-CQSZACIVSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CCC[NH2+]CCCF ZINC001322843833 960339910 /nfs/dbraw/zinc/33/99/10/960339910.db2.gz KKXOLABROFFPPT-OKILXGFUSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC001433711021 960548374 /nfs/dbraw/zinc/54/83/74/960548374.db2.gz BJYSLGOUPCDQNO-HUUCEWRRSA-N 2 0 281.444 1.519 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)C2([NH+](C)C)CCCC2)C[N@@H+]1C1CC1 ZINC001433807281 960639064 /nfs/dbraw/zinc/63/90/64/960639064.db2.gz MSBMITXDBAAVOR-OLZOCXBDSA-N 2 0 279.428 1.602 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001418664418 960874641 /nfs/dbraw/zinc/87/46/41/960874641.db2.gz XQONXMFHEBXLEK-ZQDZILKHSA-N 2 0 299.434 1.561 10 0 CDAERP CCN(C(=O)CC[N@@H+]1CC[C@H](F)C1)C1CC[NH+](C)CC1 ZINC001434012790 960878137 /nfs/dbraw/zinc/87/81/37/960878137.db2.gz IZIJDOMKBJNYNV-ZDUSSCGKSA-N 2 0 285.407 1.363 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CCF)C1 ZINC001418909523 961151952 /nfs/dbraw/zinc/15/19/52/961151952.db2.gz YOGDALLTXMSBMN-GJZGRUSLSA-N 2 0 299.434 1.659 10 0 CDAERP C[NH+](C)CC[C@H]1CCN(C(=O)C2CC[NH+](C3CC3)CC2)C1 ZINC001434356996 961195290 /nfs/dbraw/zinc/19/52/90/961195290.db2.gz ZDZFLIGXZKQAKS-AWEZNQCLSA-N 2 0 293.455 1.661 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NCC1C[NH+](CC[C@@H](C)F)C1 ZINC001419043096 961296194 /nfs/dbraw/zinc/29/61/94/961296194.db2.gz MRLGOFKLYZSOKJ-GFCCVEGCSA-N 2 0 273.396 1.123 10 0 CDAERP C[N@H+](CC1CC1)C[C@H]1CCN(CCNC(=O)C2CC2)C1 ZINC001434456962 961430547 /nfs/dbraw/zinc/43/05/47/961430547.db2.gz CNEIWMUDLBAITB-CQSZACIVSA-N 2 0 279.428 1.176 10 0 CDAERP CC[C@H](F)C[NH2+][C@@H](CC)CNC(=O)C12CCC[NH+]1CCC2 ZINC001419198019 961496320 /nfs/dbraw/zinc/49/63/20/961496320.db2.gz KIAAYVHSUZTVDU-KBPBESRZSA-N 2 0 299.434 1.847 10 0 CDAERP CC[C@H](CNC(=O)COC1CC[NH+](C)CC1)[NH2+]CC(C)C ZINC001419256517 961560396 /nfs/dbraw/zinc/56/03/96/961560396.db2.gz DHDAPOVEVNHUGP-CQSZACIVSA-N 2 0 299.459 1.238 10 0 CDAERP COC[C@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001419625937 961882065 /nfs/dbraw/zinc/88/20/65/961882065.db2.gz QRZUPWBRKZSNFX-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001436458741 962267451 /nfs/dbraw/zinc/26/74/51/962267451.db2.gz LAHHQCUWHXNUJL-QLFBSQMISA-N 2 0 299.434 1.467 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccccc2)C1 ZINC001419968663 962310097 /nfs/dbraw/zinc/31/00/97/962310097.db2.gz MPPDTOAUJOWHCR-HNNXBMFYSA-N 2 0 275.396 1.329 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001436726224 962371416 /nfs/dbraw/zinc/37/14/16/962371416.db2.gz OPWKJYQSIXSRNW-HUUCEWRRSA-N 2 0 281.444 1.707 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@@H+]1CCC1CC1 ZINC001437042867 962573840 /nfs/dbraw/zinc/57/38/40/962573840.db2.gz QOXPKNPEHNWSDN-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H](C[NH2+]CC1CCCCC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001420271699 962659427 /nfs/dbraw/zinc/65/94/27/962659427.db2.gz JEJJIWYJWSRSQN-HIFRSBDPSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCc1ccccc1 ZINC001437264874 962778442 /nfs/dbraw/zinc/77/84/42/962778442.db2.gz XJBVTIBDWFYODZ-HOCLYGCPSA-N 2 0 289.423 1.275 10 0 CDAERP CC[C@H](F)C[NH2+][C@H](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001437391601 962854472 /nfs/dbraw/zinc/85/44/72/962854472.db2.gz JGTGFMBOKPSQCD-KGLIPLIRSA-N 2 0 299.434 1.847 10 0 CDAERP CC[NH+](CC)CC[C@@H](C)NC(=O)[C@@H](C)CC[NH+](C)C ZINC001420733212 963210913 /nfs/dbraw/zinc/21/09/13/963210913.db2.gz NTTFHPLPGSKTJL-UONOGXRCSA-N 2 0 271.449 1.811 10 0 CDAERP CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001420776655 963234448 /nfs/dbraw/zinc/23/44/48/963234448.db2.gz PUUWWDXSXAPDRL-CVEARBPZSA-N 2 0 289.423 1.938 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001421212583 963501503 /nfs/dbraw/zinc/50/15/03/963501503.db2.gz VMQJMHOQPJYJKE-JSGCOSHPSA-N 2 0 273.396 1.267 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001421309676 963548090 /nfs/dbraw/zinc/54/80/90/963548090.db2.gz HRBWWBLLWULTHX-HNNXBMFYSA-N 2 0 283.460 1.907 10 0 CDAERP CC(C)[NH2+]CC1CC(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001440756546 964161662 /nfs/dbraw/zinc/16/16/62/964161662.db2.gz ARERQIWBJWGIMK-YMAMQOFZSA-N 2 0 281.444 1.754 10 0 CDAERP CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001440929343 964267251 /nfs/dbraw/zinc/26/72/51/964267251.db2.gz ADKFUSPXRARAJI-ZFWWWQNUSA-N 2 0 281.444 1.850 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@@H]1[C@H]2C[NH+](CC[C@@H](C)F)C[C@H]21 ZINC001441283756 964449311 /nfs/dbraw/zinc/44/93/11/964449311.db2.gz BPBAGYBKCSGELN-TUVASFSCSA-N 2 0 299.434 1.370 10 0 CDAERP CC(C)C[NH2+][C@H]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001441484002 964541574 /nfs/dbraw/zinc/54/15/74/964541574.db2.gz CXIHIAXBTYDLAS-ZNMIVQPWSA-N 2 0 281.444 1.754 10 0 CDAERP CCC[NH2+][C@H]1CN(C(=O)CC[N@H+](C)CCC)CC1(C)C ZINC001441929467 964793878 /nfs/dbraw/zinc/79/38/78/964793878.db2.gz HRMGMKRGGNEDRC-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001441943659 964802683 /nfs/dbraw/zinc/80/26/83/964802683.db2.gz UHYNWHMMEWZNPR-OLZOCXBDSA-N 2 0 295.402 1.933 10 0 CDAERP C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC001345810518 964822908 /nfs/dbraw/zinc/82/29/08/964822908.db2.gz RPYLQJAGFGCMRW-UPJWGTAASA-N 2 0 255.406 1.398 10 0 CDAERP C[C@@H](F)CC[NH+]1CC(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001443601169 965530849 /nfs/dbraw/zinc/53/08/49/965530849.db2.gz NXOUJFXWHFNMGO-CYBMUJFWSA-N 2 0 299.434 1.657 10 0 CDAERP CC[C@@H](C)C[NH2+][C@@H](CC)CNC(=O)C12CC[NH+](CC1)C2 ZINC001444028170 965713545 /nfs/dbraw/zinc/71/35/45/965713545.db2.gz GEBJFRYPNMQFPI-KGLIPLIRSA-N 2 0 281.444 1.613 10 0 CDAERP COC[C@H](C)[NH2+]CC1(NC(=O)C[N@H+](C)C(C)C)CCCC1 ZINC001444094085 965735836 /nfs/dbraw/zinc/73/58/36/965735836.db2.gz ZGVRGQDSYLOOOY-AWEZNQCLSA-N 2 0 299.459 1.380 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001444378310 965812896 /nfs/dbraw/zinc/81/28/96/965812896.db2.gz HSPZEGBKDRKVCC-UONOGXRCSA-N 2 0 283.460 1.716 10 0 CDAERP CC[NH+](CC)CC[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001348330104 965933951 /nfs/dbraw/zinc/93/39/51/965933951.db2.gz UIHIEYAWTONLMA-ZDUSSCGKSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]([C@H](C)[NH2+]CCF)C1 ZINC001444808747 965958596 /nfs/dbraw/zinc/95/85/96/965958596.db2.gz AFCSJXXWZXJMBP-KBPBESRZSA-N 2 0 287.423 1.513 10 0 CDAERP C[C@H](C[NH2+]Cc1cccnc1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001445473368 966203832 /nfs/dbraw/zinc/20/38/32/966203832.db2.gz IEMHMMFKNKZFOL-ZIAGYGMSSA-N 2 0 290.411 1.018 10 0 CDAERP CCC(CC)[NH2+]CCNC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001349517310 966373625 /nfs/dbraw/zinc/37/36/25/966373625.db2.gz IKRNWKPKYLOKDW-VHDGCEQUSA-N 2 0 296.459 1.404 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001447154286 966710094 /nfs/dbraw/zinc/71/00/94/966710094.db2.gz HRLPVMLMFYUBKU-RRFJBIMHSA-N 2 0 299.434 1.799 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1ccns1 ZINC001447907305 966925550 /nfs/dbraw/zinc/92/55/50/966925550.db2.gz RMIQCLHEAMPVDW-WDEREUQCSA-N 2 0 284.429 1.078 10 0 CDAERP Cc1cccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CC[NH+](C)C)c1 ZINC001447914432 966928254 /nfs/dbraw/zinc/92/82/54/966928254.db2.gz ZNEHCYNAPCIESB-HUUCEWRRSA-N 2 0 291.439 1.930 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)C[C@@H]1CCCOC1 ZINC001448139680 967013824 /nfs/dbraw/zinc/01/38/24/967013824.db2.gz ACYMIVSDXGBIMF-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@H]([NH2+]CC2CCC2)C(C)(C)C1 ZINC001449102313 967362247 /nfs/dbraw/zinc/36/22/47/967362247.db2.gz ZKWSSWVAACZPBE-AWEZNQCLSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001480306411 967364518 /nfs/dbraw/zinc/36/45/18/967364518.db2.gz ZNKNFWZOOFXPTD-CABCVRRESA-N 2 0 281.444 1.422 10 0 CDAERP Nc1cc(CCCCNc2nccnc2C[NH3+])cc[nH+]1 ZINC001472889281 968972331 /nfs/dbraw/zinc/97/23/31/968972331.db2.gz TXIOXOBJQBBSAO-UHFFFAOYSA-N 2 0 272.356 1.347 10 0 CDAERP CC[C@H]1CCCC[N@@H+]1CCNC(=O)CC[NH+]1CC[C@@H](F)C1 ZINC001465021050 969838949 /nfs/dbraw/zinc/83/89/49/969838949.db2.gz JCUKUIBETADQIO-CABCVRRESA-N 2 0 299.434 1.801 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001465503624 969880089 /nfs/dbraw/zinc/88/00/89/969880089.db2.gz GWPJGFIQEFKIAG-MCIONIFRSA-N 2 0 269.433 1.563 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CC=C(C)C ZINC001480598029 970075363 /nfs/dbraw/zinc/07/53/63/970075363.db2.gz XWFJHQVKPWILBM-LSDHHAIUSA-N 2 0 281.444 1.921 10 0 CDAERP CCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001361740286 970481956 /nfs/dbraw/zinc/48/19/56/970481956.db2.gz AQNYEDIMTIZNHO-HNNXBMFYSA-N 2 0 281.444 1.661 10 0 CDAERP C[N@H+](CC(=O)NCCCCc1cc[nH+]c(N)c1)C1CCC1 ZINC001472460406 970651007 /nfs/dbraw/zinc/65/10/07/970651007.db2.gz TYANNNXYXHLYPU-UHFFFAOYSA-N 2 0 290.411 1.587 10 0 CDAERP O=C([C@H]1C[NH+]2CCC1CC2)N1CC[NH+](CC2CCC2)CC1 ZINC001472958119 970733356 /nfs/dbraw/zinc/73/33/56/970733356.db2.gz FNQXVTMDPUREDA-INIZCTEOSA-N 2 0 291.439 1.273 10 0 CDAERP C[C@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CCC1CC1 ZINC001371830343 972651309 /nfs/dbraw/zinc/65/13/09/972651309.db2.gz GLLXTICRVJXGSB-UONOGXRCSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CCC(F)(F)F)[NH+](C)C ZINC001496154695 972820898 /nfs/dbraw/zinc/82/08/98/972820898.db2.gz PTUSDWYYXPAPMC-MNOVXSKESA-N 2 0 297.365 1.716 10 0 CDAERP CC(C)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001497187895 973236456 /nfs/dbraw/zinc/23/64/56/973236456.db2.gz GARCVBHQNVTTDO-UKRRQHHQSA-N 2 0 281.444 1.469 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC001417707595 973310900 /nfs/dbraw/zinc/31/09/00/973310900.db2.gz DHJZZWKRJRHCMZ-AWEZNQCLSA-N 2 0 283.460 1.812 10 0 CDAERP CN(C[C@H]1CC[N@@H+]1CCCF)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001417742237 973352468 /nfs/dbraw/zinc/35/24/68/973352468.db2.gz PCJGKGKFOKZUHX-CQSZACIVSA-N 2 0 299.434 1.753 10 0 CDAERP CC(C)[NH2+]C/C=C/CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001497612761 973433685 /nfs/dbraw/zinc/43/36/85/973433685.db2.gz WVRQXTRUQPARGD-WFVIONGDSA-N 2 0 279.428 1.674 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CC[C@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001373681964 973565370 /nfs/dbraw/zinc/56/53/70/973565370.db2.gz WGSNYBZRJLKIHL-KGLIPLIRSA-N 2 0 287.423 1.609 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001418090098 973577487 /nfs/dbraw/zinc/57/74/87/973577487.db2.gz ARXYYQSSURYDNU-RBGFHDKUSA-N 2 0 295.471 2.000 10 0 CDAERP CCCCC[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001497983579 973598549 /nfs/dbraw/zinc/59/85/49/973598549.db2.gz HONJLMLPQDXRIW-CYBMUJFWSA-N 2 0 255.406 1.367 10 0 CDAERP Cc1cc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)cs1 ZINC001497983832 973599010 /nfs/dbraw/zinc/59/90/10/973599010.db2.gz NMMRDCBFJFRISQ-BXUZGUMPSA-N 2 0 295.452 1.603 10 0 CDAERP CC1CC[NH+](CC(=O)N[C@H]2C[C@H]([NH+](C)C)C2(C)C)CC1 ZINC001418159838 973616905 /nfs/dbraw/zinc/61/69/05/973616905.db2.gz BIVTZMHOGLAKMB-KBPBESRZSA-N 2 0 281.444 1.563 10 0 CDAERP C[C@@H]([NH2+]C[C@H](C)NC(=O)CC[NH+](C)C)c1ccccc1 ZINC001498108640 973686387 /nfs/dbraw/zinc/68/63/87/973686387.db2.gz FIGRLCRUNZXIOP-UONOGXRCSA-N 2 0 277.412 1.794 10 0 CDAERP Cc1cc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2C)on1 ZINC001418247586 973694513 /nfs/dbraw/zinc/69/45/13/973694513.db2.gz PKMVQXDVEREKRJ-GXTWGEPZSA-N 2 0 294.399 1.062 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001418347514 973758234 /nfs/dbraw/zinc/75/82/34/973758234.db2.gz XNZPEIIOUHRDED-KBPBESRZSA-N 2 0 299.434 1.657 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccns1)[NH+](C)C ZINC001374962852 974191193 /nfs/dbraw/zinc/19/11/93/974191193.db2.gz XVELLZISXGRVAJ-CMPLNLGQSA-N 2 0 284.429 1.078 10 0 CDAERP CC(C)[C@@H](C(=O)NC[C@H]1CC[N@@H+]1C(C)C)[NH+]1CCCC1 ZINC001499130737 974192784 /nfs/dbraw/zinc/19/27/84/974192784.db2.gz BWEZLPBCCQKMKL-CABCVRRESA-N 2 0 281.444 1.706 10 0 CDAERP O=C(CCC[NH+]1CCCC1)NC[C@@H]1CC[N@@H+]1CCC1CC1 ZINC001375375371 974354420 /nfs/dbraw/zinc/35/44/20/974354420.db2.gz IPSSOSNGZNTKNE-INIZCTEOSA-N 2 0 293.455 1.853 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCC2CC2)CCC1 ZINC001501968970 974665416 /nfs/dbraw/zinc/66/54/16/974665416.db2.gz ZEXYIYMWVYLHME-OAHLLOKOSA-N 2 0 293.455 1.899 10 0 CDAERP CC[C@H](F)C[N@@H+]1CCC[C@@H](CNC(=O)Cc2ncc[nH]2)C1 ZINC001376533384 974681877 /nfs/dbraw/zinc/68/18/77/974681877.db2.gz UEHLMMXJRHIYMW-STQMWFEESA-N 2 0 296.390 1.529 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001376568698 974688680 /nfs/dbraw/zinc/68/86/80/974688680.db2.gz JNUOARHHLDIPRE-CABCVRRESA-N 2 0 299.434 1.659 10 0 CDAERP CCCC[NH2+]CC1(O)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001502883267 974797670 /nfs/dbraw/zinc/79/76/70/974797670.db2.gz DXXOWJPKTKDRSC-UHFFFAOYSA-N 2 0 299.459 1.071 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCc1cccs1 ZINC001376875375 974799403 /nfs/dbraw/zinc/79/94/03/974799403.db2.gz GNGCESNWZNUUEV-QWHCGFSZSA-N 2 0 295.452 1.337 10 0 CDAERP CN(CCC[N@H+](C)CC1CCC1)C(=O)C[NH+]1CCCC1 ZINC001377022247 974857351 /nfs/dbraw/zinc/85/73/51/974857351.db2.gz UWTUBLAMIPEJJY-UHFFFAOYSA-N 2 0 281.444 1.663 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H](C)CCNC(=O)C[NH+]1CCCC1 ZINC001377105335 974882511 /nfs/dbraw/zinc/88/25/11/974882511.db2.gz IASZQADLVISGHN-CHWSQXEVSA-N 2 0 273.396 1.315 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+](CC)[C@H](C)COC)CC[N@@H+]1C ZINC001377312711 974972549 /nfs/dbraw/zinc/97/25/49/974972549.db2.gz LQGFOTHGIXKRKY-QLFBSQMISA-N 2 0 299.459 1.190 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CC1CC2(CCC2)C1 ZINC001505995087 975076677 /nfs/dbraw/zinc/07/66/77/975076677.db2.gz RAPDADQYVGYSQY-CQSZACIVSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC001377861979 975158388 /nfs/dbraw/zinc/15/83/88/975158388.db2.gz DOTSYWJFYFCWER-CQSZACIVSA-N 2 0 295.452 1.780 10 0 CDAERP COCC[N@@H+]1CCCCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001506583461 975183017 /nfs/dbraw/zinc/18/30/17/975183017.db2.gz PPMSXNVVIUNYJT-HNNXBMFYSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@@H](CCC[NH2+]CC1CC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001506952193 975270768 /nfs/dbraw/zinc/27/07/68/975270768.db2.gz UPQFMALXSDQLLF-JSGCOSHPSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)C[NH+](C)C)C1 ZINC001569755782 1169986183 /nfs/dbraw/zinc/98/61/83/1169986183.db2.gz FRBPQTKQZYYYSO-UONOGXRCSA-N 2 0 269.433 1.421 10 0 CDAERP C[C@@H](CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC1CCCC1 ZINC001507124791 975346310 /nfs/dbraw/zinc/34/63/10/975346310.db2.gz DOLFIDSQGGAYCZ-CABCVRRESA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001378510974 975371853 /nfs/dbraw/zinc/37/18/53/975371853.db2.gz IYPBPPGMTACQCT-HUUCEWRRSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]Cc2ccccn2)CN1C(=O)CC[NH+](C)C ZINC001507316885 975413540 /nfs/dbraw/zinc/41/35/40/975413540.db2.gz FVEUGECCOLKSMC-UKRRQHHQSA-N 2 0 290.411 1.112 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001397093676 975460231 /nfs/dbraw/zinc/46/02/31/975460231.db2.gz CISXNXKTVZPKMP-IGQOVBAYSA-N 2 0 285.407 1.171 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001401097995 975461298 /nfs/dbraw/zinc/46/12/98/975461298.db2.gz PODPHXVFPPPCNN-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001507441724 975472560 /nfs/dbraw/zinc/47/25/60/975472560.db2.gz BZOBRPKKCJOGCK-LBPRGKRZSA-N 2 0 255.406 1.173 10 0 CDAERP C[C@@H](C[NH2+]CC1CCCC1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001378815687 975500044 /nfs/dbraw/zinc/50/00/44/975500044.db2.gz VKPWQTPOKQCVTE-AWEZNQCLSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001378878720 975528668 /nfs/dbraw/zinc/52/86/68/975528668.db2.gz RHHSJLRWNSIVBJ-RBSFLKMASA-N 2 0 281.444 1.613 10 0 CDAERP C[C@@H](C[NH2+]CC1CCCC1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001401257746 975548386 /nfs/dbraw/zinc/54/83/86/975548386.db2.gz RTSVRKYWVYICKG-AWEZNQCLSA-N 2 0 293.455 1.709 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccsc2)C1 ZINC001397638349 975665558 /nfs/dbraw/zinc/66/55/58/975665558.db2.gz XUSPUEITEKDHPS-OKILXGFUSA-N 2 0 295.452 1.684 10 0 CDAERP CC(C)C[NH2+][C@H](C)CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001379139901 975686606 /nfs/dbraw/zinc/68/66/06/975686606.db2.gz XPUSHOLAYYDQGG-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP C[C@H](C[NH2+]C[C@H]1CCCCO1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001401636582 975752127 /nfs/dbraw/zinc/75/21/27/975752127.db2.gz FHSKNMAOYSBMAO-KFWWJZLASA-N 2 0 297.443 1.134 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]C[C@H](CC)OC)[NH+](C)C ZINC001405611054 975784098 /nfs/dbraw/zinc/78/40/98/975784098.db2.gz XSQVEGXMMHUDKK-QLFBSQMISA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)C[NH+]1CCC2(C[C@@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001389530951 975891120 /nfs/dbraw/zinc/89/11/20/975891120.db2.gz XUVQMFGKBSPTEJ-AWEZNQCLSA-N 2 0 281.444 1.565 10 0 CDAERP Cc1ncccc1C[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+](C)C ZINC001405849571 975904340 /nfs/dbraw/zinc/90/43/40/975904340.db2.gz JNQOQRNSAQTAAR-CYBMUJFWSA-N 2 0 292.427 1.278 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001401924720 976013395 /nfs/dbraw/zinc/01/33/95/976013395.db2.gz NFZUCHQQCQHRCT-HUUCEWRRSA-N 2 0 299.434 1.801 10 0 CDAERP C[C@H](F)CC[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001401945897 976033787 /nfs/dbraw/zinc/03/37/87/976033787.db2.gz DDDHBTWHJSJOGW-JSGCOSHPSA-N 2 0 297.418 1.315 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001389905145 976040892 /nfs/dbraw/zinc/04/08/92/976040892.db2.gz WBXLJZSTWLSMOD-XJFOESAGSA-N 2 0 285.407 1.313 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001398560658 976043775 /nfs/dbraw/zinc/04/37/75/976043775.db2.gz ZVDVYDNTECXEON-AVGNSLFASA-N 2 0 273.396 1.313 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H]([NH2+]C/C=C/Cl)C2)C1 ZINC001390013874 976083152 /nfs/dbraw/zinc/08/31/52/976083152.db2.gz YCBSULVDZAXZRF-XVKZEJJWSA-N 2 0 285.819 1.318 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CCCF)C1)[NH+](CC)CC ZINC001402187873 976168889 /nfs/dbraw/zinc/16/88/89/976168889.db2.gz SAPTXXKLNKWLHD-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@](C)(C[NH2+]CC2CCCC2)C1 ZINC001402203043 976174756 /nfs/dbraw/zinc/17/47/56/976174756.db2.gz WAEAIYRMKFDDFV-QGZVFWFLSA-N 2 0 295.471 1.957 10 0 CDAERP CC[C@H](C(=O)NC[C@]1(C)CCC[N@@H+](C(C)C)C1)[NH+](C)C ZINC001402240728 976195446 /nfs/dbraw/zinc/19/54/46/976195446.db2.gz XBQLZLRQBGUYHR-ZBFHGGJFSA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]C[C@@H]1CC(C)(C)CO1)[NH+](C)C ZINC001406526084 976237779 /nfs/dbraw/zinc/23/77/79/976237779.db2.gz CBLCMDOINKZWHR-IHRRRGAJSA-N 2 0 299.459 1.236 10 0 CDAERP C[C@H](C[N@H+](C)Cc1ccsc1)NC(=O)[C@H]1CCC[NH+]1C ZINC001406588729 976280754 /nfs/dbraw/zinc/28/07/54/976280754.db2.gz WGEFEYVWEIUAEW-TZMCWYRMSA-N 2 0 295.452 1.779 10 0 CDAERP Cc1ccccc1C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001390524223 976352335 /nfs/dbraw/zinc/35/23/35/976352335.db2.gz WPSVRWPBROYILF-GDBMZVCRSA-N 2 0 289.423 1.541 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1cncs1 ZINC001390533737 976353683 /nfs/dbraw/zinc/35/36/83/976353683.db2.gz LMPPBJXRRBBEKE-LLVKDONJSA-N 2 0 284.429 1.078 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1cncc(F)c1 ZINC001390537637 976357960 /nfs/dbraw/zinc/35/79/60/976357960.db2.gz XLMVCZVAMRIEIK-GFCCVEGCSA-N 2 0 296.390 1.155 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]CCF)C1 ZINC001399284763 976412790 /nfs/dbraw/zinc/41/27/90/976412790.db2.gz VZZYTGPKMFPPEJ-OLZOCXBDSA-N 2 0 273.396 1.313 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CC[NH+]1CC1CCC1 ZINC001406840273 976433403 /nfs/dbraw/zinc/43/34/03/976433403.db2.gz HEXBKMXYYRRUPJ-HZPDHXFCSA-N 2 0 293.455 1.851 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC2CC2)CC1(C)C ZINC001402792074 976482054 /nfs/dbraw/zinc/48/20/54/976482054.db2.gz XCOLHBBYELLEKD-HNNXBMFYSA-N 2 0 295.471 1.953 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC1CC(C[NH2+]CC2CC2)C1 ZINC001402919500 976588347 /nfs/dbraw/zinc/58/83/47/976588347.db2.gz GWYBHVRKQKRGCB-GPANFISMSA-N 2 0 293.455 1.755 10 0 CDAERP CC(C)[NH2+]CCN(CCO)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001407651037 976725235 /nfs/dbraw/zinc/72/52/35/976725235.db2.gz FCIXTCUOZJJYEG-HNNXBMFYSA-N 2 0 299.459 1.070 10 0 CDAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccccc1 ZINC001403144321 976757834 /nfs/dbraw/zinc/75/78/34/976757834.db2.gz QVACVJAEZAQREA-AWEZNQCLSA-N 2 0 275.396 1.377 10 0 CDAERP CC(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001381318570 976758335 /nfs/dbraw/zinc/75/83/35/976758335.db2.gz NXVOLATXPNSIHR-CABCVRRESA-N 2 0 281.444 1.517 10 0 CDAERP CCC[NH+](CCC)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001399949575 976770065 /nfs/dbraw/zinc/77/00/65/976770065.db2.gz IDLXJRAGEUBJGL-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H]1CC[C@H](C[N@H+](CCNC(=O)CC[NH+](C)C)C2CC2)O1 ZINC001400027730 976812908 /nfs/dbraw/zinc/81/29/08/976812908.db2.gz YWEVLOYHSNLHEL-DZGCQCFKSA-N 2 0 297.443 1.086 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001400053485 976832054 /nfs/dbraw/zinc/83/20/54/976832054.db2.gz JTKZJOHGQLOOLA-HNNXBMFYSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1[NH2+]CC1CCCC1 ZINC001408090100 976911513 /nfs/dbraw/zinc/91/15/13/976911513.db2.gz KKXATCOSXQXFLL-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)Cc1cccc(F)c1 ZINC001381564711 976915329 /nfs/dbraw/zinc/91/53/29/976915329.db2.gz MCDYQYONIGXXIP-CYBMUJFWSA-N 2 0 295.402 1.714 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC[C@@H](C)F ZINC001391537950 976943489 /nfs/dbraw/zinc/94/34/89/976943489.db2.gz VRAHZOBLGRBCGM-ILXRZTDVSA-N 2 0 299.434 1.752 10 0 CDAERP CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001403503996 976999940 /nfs/dbraw/zinc/99/99/40/976999940.db2.gz SLYBMRYFXKWAQX-LSDHHAIUSA-N 2 0 279.428 1.175 10 0 CDAERP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CCC(C)(C)C ZINC001391716540 977063509 /nfs/dbraw/zinc/06/35/09/977063509.db2.gz CAVPQIMAPSAFMU-CYBMUJFWSA-N 2 0 271.449 1.859 10 0 CDAERP CC(C)CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001403732831 977164525 /nfs/dbraw/zinc/16/45/25/977164525.db2.gz FTBCZNHFFWEONJ-HUUCEWRRSA-N 2 0 295.471 1.953 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CCC2CC2)C(C)(C)C1 ZINC001403811894 977209132 /nfs/dbraw/zinc/20/91/32/977209132.db2.gz DCDIDBRLKMFEAB-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cccc(C)c1 ZINC001400846314 977222508 /nfs/dbraw/zinc/22/25/08/977222508.db2.gz GKHFWUDRGDSYBB-MRXNPFEDSA-N 2 0 291.439 1.931 10 0 CDAERP Cc1noc(C)c1C[NH2+]C[C@H](C)N(C)C(=O)CC[NH+](C)C ZINC001392125822 977228742 /nfs/dbraw/zinc/22/87/42/977228742.db2.gz VREKHSXOZUWOPA-NSHDSACASA-N 2 0 296.415 1.180 10 0 CDAERP CC[N@H+](C)CCN(C(=O)[C@H](C)Cc1c[nH]cn1)C(C)C ZINC001382506346 977296379 /nfs/dbraw/zinc/29/63/79/977296379.db2.gz ZXPJEIIIFLOSTR-CYBMUJFWSA-N 2 0 280.416 1.777 10 0 CDAERP Cc1cc(C[NH2+]C[C@H](C)NC(=O)CCC[NH+](C)C)sn1 ZINC001392591704 977497632 /nfs/dbraw/zinc/49/76/32/977497632.db2.gz RERJYQKPZIGVPG-LBPRGKRZSA-N 2 0 298.456 1.388 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1ccsc1 ZINC001392619678 977505913 /nfs/dbraw/zinc/50/59/13/977505913.db2.gz RICFRVVYQMLHEK-LBPRGKRZSA-N 2 0 283.441 1.683 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1CC1CC(C)C1 ZINC001392873347 977633460 /nfs/dbraw/zinc/63/34/60/977633460.db2.gz HUPJUEVOVREWJN-YMAMQOFZSA-N 2 0 281.444 1.563 10 0 CDAERP CC(C)[C@H](C(=O)NCC1([NH2+]CC[C@H](C)F)CC1)[NH+](C)C ZINC001392929659 977654126 /nfs/dbraw/zinc/65/41/26/977654126.db2.gz WFZLSWZZKWJGOZ-QWHCGFSZSA-N 2 0 287.423 1.559 10 0 CDAERP CN(C(=O)CC[NH+]1CCCCC1)C1C[NH+](CC2CC2)C1 ZINC001393022777 977678365 /nfs/dbraw/zinc/67/83/65/977678365.db2.gz DHIFOAINZXWVAN-UHFFFAOYSA-N 2 0 279.428 1.415 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H]1C[NH2+]Cc1ccns1 ZINC001393052090 977687803 /nfs/dbraw/zinc/68/78/03/977687803.db2.gz HRWORPDJBRRQJW-LBPRGKRZSA-N 2 0 296.440 1.175 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001393110631 977704940 /nfs/dbraw/zinc/70/49/40/977704940.db2.gz YLZRVMYREWRXTB-MRXNPFEDSA-N 2 0 295.471 1.955 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N[C@@]2(C)CC[NH+](CC3CC3)C2)C1 ZINC001393116642 977709784 /nfs/dbraw/zinc/70/97/84/977709784.db2.gz GVPLZDMUIDYXDG-ZBFHGGJFSA-N 2 0 279.428 1.319 10 0 CDAERP CCC/C=C\CC[N@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001492818505 977736381 /nfs/dbraw/zinc/73/63/81/977736381.db2.gz FAWCHGBOFCQMCO-WAYWQWQTSA-N 2 0 293.455 1.877 10 0 CDAERP CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001393228095 977738664 /nfs/dbraw/zinc/73/86/64/977738664.db2.gz MOWSKUYGRAHNGN-GFCCVEGCSA-N 2 0 291.386 1.422 10 0 CDAERP CC[C@H](F)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCC1 ZINC001393549852 977831620 /nfs/dbraw/zinc/83/16/20/977831620.db2.gz HRNMGRNVFWZQBX-QWHCGFSZSA-N 2 0 285.407 1.457 10 0 CDAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]Cc1cncs1 ZINC001393749147 977907736 /nfs/dbraw/zinc/90/77/36/977907736.db2.gz LTJAZHCJXYVXHL-AAEUAGOBSA-N 2 0 296.440 1.031 10 0 CDAERP CC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001394281012 978124146 /nfs/dbraw/zinc/12/41/46/978124146.db2.gz OLOBNAHWISOCRW-CABCVRRESA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccccn1)[NH+](C)C ZINC001394495169 978182894 /nfs/dbraw/zinc/18/28/94/978182894.db2.gz JUYXLTUGDCUFBE-UKRRQHHQSA-N 2 0 292.427 1.358 10 0 CDAERP CC(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC001394730046 978243368 /nfs/dbraw/zinc/24/33/68/978243368.db2.gz XXNFMYACEQXLNU-HUUCEWRRSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)N(CC[N@H+](C)CCO)C(=O)CC[C@H]1CCC[NH+]1C ZINC001394803487 978263438 /nfs/dbraw/zinc/26/34/38/978263438.db2.gz CDPSDNDJBKJHCY-OAHLLOKOSA-N 2 0 299.459 1.022 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2CC[NH+](C)C2)C1 ZINC001597024270 1174254590 /nfs/dbraw/zinc/25/45/90/1174254590.db2.gz FGEBAADIIRXKIK-KBPBESRZSA-N 2 0 267.417 1.175 10 0 CDAERP CO[C@@H](C)C[NH2+]CC[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001570021130 1170060914 /nfs/dbraw/zinc/06/09/14/1170060914.db2.gz BZMNGAHUMPMASB-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCOCC[NH+](C)C(C)C ZINC001571346017 1170375634 /nfs/dbraw/zinc/37/56/34/1170375634.db2.gz JWUWJOBXJVMQAU-OAHLLOKOSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)(C)[NH2+]C[C@H](O)CO[C@@H]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000675080466 539085888 /nfs/dbraw/zinc/08/58/88/539085888.db2.gz QTBNQZIQLGWSGZ-IGQOVBAYSA-N 2 0 270.417 1.283 10 0 CDAERP CC1(C)NC(=O)CC[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650761826 398183361 /nfs/dbraw/zinc/18/33/61/398183361.db2.gz LGUFYCVZOIYGKH-LBPRGKRZSA-N 2 0 253.390 1.023 10 0 CDAERP C[N@@H+](Cc1ccc(NN)[nH+]c1)C[C@@H]1CCCOC1 ZINC000082545321 178089312 /nfs/dbraw/zinc/08/93/12/178089312.db2.gz COINTXSKRUCXSK-LBPRGKRZSA-N 2 0 250.346 1.226 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000388600299 398196608 /nfs/dbraw/zinc/19/66/08/398196608.db2.gz CYBRZRLQUGAQLT-KGLIPLIRSA-N 2 0 267.417 1.495 10 0 CDAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000262626421 361739071 /nfs/dbraw/zinc/73/90/71/361739071.db2.gz BZCAUVKVYQRDSG-RQJABVFESA-N 2 0 265.401 1.199 10 0 CDAERP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCOC1CCOCC1 ZINC000625222373 342043337 /nfs/dbraw/zinc/04/33/37/342043337.db2.gz QYNDNLSGPJSWTA-CABCVRRESA-N 2 0 282.428 1.741 10 0 CDAERP C[C@@H]1CC[N@H+](CCOC2CCOCC2)C[C@H]1n1ccnc1 ZINC000625267329 342063084 /nfs/dbraw/zinc/06/30/84/342063084.db2.gz XLOURUXFQSBLBU-GDBMZVCRSA-N 2 0 293.411 1.962 10 0 CDAERP C[C@H]1C[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C(C)(C)C1 ZINC000334881814 300265215 /nfs/dbraw/zinc/26/52/15/300265215.db2.gz MFGQZDBPOVBXIK-CHWSQXEVSA-N 2 0 267.417 1.304 10 0 CDAERP C[NH+](C)C1(CNC(=O)[C@]2(C)CCC[NH2+]2)CCCC1 ZINC000125735856 342067111 /nfs/dbraw/zinc/06/71/11/342067111.db2.gz BAQVXENUPOXZOE-ZDUSSCGKSA-N 2 0 253.390 1.119 10 0 CDAERP CC(C)(C)OC(=O)NCC[N@@H+]1CCCC[C@@H](CC[NH3+])C1 ZINC000616630818 342120415 /nfs/dbraw/zinc/12/04/15/342120415.db2.gz USTQRCWPRZLIMU-ZDUSSCGKSA-N 2 0 285.432 1.962 10 0 CDAERP CN(CC1C[NH+](C)C1)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000618191075 342133546 /nfs/dbraw/zinc/13/35/46/342133546.db2.gz RLXAILUJMHREHB-INIZCTEOSA-N 2 0 293.455 1.804 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)C[C@H]2CSCC[NH2+]2)CC[N@@H+]1C ZINC000262843738 342134307 /nfs/dbraw/zinc/13/43/07/342134307.db2.gz XWEPNJSGYNJUSJ-FRRDWIJNSA-N 2 0 285.457 1.023 10 0 CDAERP [NH3+]C[C@H]1C[NH2+]C[C@H]1c1cccc(Br)c1 ZINC000096884150 185120251 /nfs/dbraw/zinc/12/02/51/185120251.db2.gz YNGRAFMVUIPXJE-ONGXEEELSA-N 2 0 255.159 1.711 10 0 CDAERP Cc1nccn1CCCC[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593100954 342767349 /nfs/dbraw/zinc/76/73/49/342767349.db2.gz QEIKYWFHWWKDOP-ZJNRKIDTSA-N 2 0 267.398 1.177 10 0 CDAERP COC(=O)CC1CC([NH2+]CCC[N@H+](C)CC(C)C)C1 ZINC000593646979 342821790 /nfs/dbraw/zinc/82/17/90/342821790.db2.gz UUEQWHOKZVZDDP-UHFFFAOYSA-N 2 0 270.417 1.896 10 0 CDAERP Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCC[NH2+]CC3)C2)nn1 ZINC000333328287 539051800 /nfs/dbraw/zinc/05/18/00/539051800.db2.gz VTPWTVPARQZMRX-CABCVRRESA-N 2 0 289.427 1.486 10 0 CDAERP COC(=O)c1ccc(CN[C@H]2CC[NH2+]C23CCC3)cc1 ZINC000600677937 342241888 /nfs/dbraw/zinc/24/18/88/342241888.db2.gz DUMVNWBNJZIYOZ-AWEZNQCLSA-N 2 0 274.364 1.847 10 0 CDAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)C2CC[NH+](C)CC2)C1 ZINC000252438492 539078039 /nfs/dbraw/zinc/07/80/39/539078039.db2.gz CFARUJFTDLAAPY-KGLIPLIRSA-N 3 0 253.434 1.648 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CC[NH+](CCCF)CC2)C1 ZINC000626070062 342298767 /nfs/dbraw/zinc/29/87/67/342298767.db2.gz XTUNUNCFUBRTOE-IYBDPMFKSA-N 2 0 285.451 1.942 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCN1CC[NH+](CCCF)CC1 ZINC000626072695 342298913 /nfs/dbraw/zinc/29/89/13/342298913.db2.gz HZMCOWSNBZKHBX-OAHLLOKOSA-N 2 0 271.424 1.838 10 0 CDAERP CSC1(C[NH2+]Cc2cc3n(n2)CCC3)CC[NH+](C)CC1 ZINC000594945445 342980221 /nfs/dbraw/zinc/98/02/21/342980221.db2.gz VNGREPWVTAOKQZ-UHFFFAOYSA-N 2 0 294.468 1.746 10 0 CDAERP CC(C)[NH+]1CCC(O)(C[NH2+][C@H](C)CSCCF)CC1 ZINC000595021623 342996444 /nfs/dbraw/zinc/99/64/44/342996444.db2.gz QKFBFVZNUVFQFG-CYBMUJFWSA-N 2 0 292.464 1.903 10 0 CDAERP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cnc(C)o2)CC1 ZINC000628213745 362110273 /nfs/dbraw/zinc/11/02/73/362110273.db2.gz WBIMQGLIFALYGJ-ZDUSSCGKSA-N 2 0 280.416 1.346 10 0 CDAERP NC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000629524232 362141353 /nfs/dbraw/zinc/14/13/53/362141353.db2.gz OMZNCTWGWVDJOO-DHGKCCLASA-N 2 0 265.401 1.151 10 0 CDAERP Cc1noc(C2CCC([NH2+]CC3([NH3+])CCOCC3)CC2)n1 ZINC000629518725 362137695 /nfs/dbraw/zinc/13/76/95/362137695.db2.gz BUEFEDMFBATRNA-UHFFFAOYSA-N 2 0 294.399 1.502 10 0 CDAERP CCO[C@H]1C[C@@H]([NH2+]CCOCC[NH2+]C)C12CCCC2 ZINC000629529482 362157257 /nfs/dbraw/zinc/15/72/57/362157257.db2.gz DXECGYSUVJVOTQ-KGLIPLIRSA-N 2 0 270.417 1.550 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CC[NH2+][C@H]2CC)[C@H](C)C1 ZINC000629526527 362147220 /nfs/dbraw/zinc/14/72/20/362147220.db2.gz XSVDXICOAYZLON-LTIDMASMSA-N 2 0 297.487 1.854 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000623696970 349811238 /nfs/dbraw/zinc/81/12/38/349811238.db2.gz YNLSOYCZTINHMS-HNNXBMFYSA-N 2 0 296.459 1.644 10 0 CDAERP COc1ccccc1/C=C\CN1CCN(C)C[C@@H]1C[NH3+] ZINC000572721679 362291962 /nfs/dbraw/zinc/29/19/62/362291962.db2.gz ADWCSYUDPYZDCO-PKYBCLHXSA-N 2 0 275.396 1.283 10 0 CDAERP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000251847144 344059859 /nfs/dbraw/zinc/05/98/59/344059859.db2.gz RBANSGUWWQMIAZ-RQJABVFESA-N 2 0 265.401 1.070 10 0 CDAERP CC(C)(C)c1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)s1 ZINC000263229780 362357847 /nfs/dbraw/zinc/35/78/47/362357847.db2.gz NFFQNUJCMLGRRJ-CMPLNLGQSA-N 2 0 268.426 1.716 10 0 CDAERP C[C@@H]1CN(c2nc(N)nc3c2CCCC3)[C@@H](C)C[N@@H+]1C ZINC000645203933 362370597 /nfs/dbraw/zinc/37/05/97/362370597.db2.gz GPLHQVUAJLTGCV-MNOVXSKESA-N 2 0 275.400 1.297 10 0 CDAERP Cc1ncc(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cn1 ZINC000602278710 344389725 /nfs/dbraw/zinc/38/97/25/344389725.db2.gz YRQYUKHQGFIVBM-HNNXBMFYSA-N 2 0 289.427 1.043 10 0 CDAERP [NH3+]C1(CC(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)CCC1 ZINC000328654105 345434661 /nfs/dbraw/zinc/43/46/61/345434661.db2.gz XENGGESEGWCNAH-LLVKDONJSA-N 2 0 251.374 1.001 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000669516245 482540022 /nfs/dbraw/zinc/54/00/22/482540022.db2.gz ZNCNJNVOMKEHAN-ICCXJUOJSA-N 2 0 281.787 1.454 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000623339324 346068514 /nfs/dbraw/zinc/06/85/14/346068514.db2.gz UTKKNAGUBIDCHP-KGLIPLIRSA-N 2 0 253.434 1.933 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)COc2ccccc2)CC1(C)C ZINC000623351633 346079173 /nfs/dbraw/zinc/07/91/73/346079173.db2.gz YSXYUAMFSVZRNM-CABCVRRESA-N 2 0 292.423 1.889 10 0 CDAERP CC(C)NC(=O)CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623354295 346081425 /nfs/dbraw/zinc/08/14/25/346081425.db2.gz MQTJDIGJRHBXAT-LBPRGKRZSA-N 2 0 255.406 1.364 10 0 CDAERP C[C@@H](Cn1cccn1)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623355344 346082196 /nfs/dbraw/zinc/08/21/96/346082196.db2.gz KHEDAPUGGJBFAE-QWHCGFSZSA-N 2 0 250.390 1.734 10 0 CDAERP C[NH+](C)[C@@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)C1CC1 ZINC000623363281 346091183 /nfs/dbraw/zinc/09/11/83/346091183.db2.gz LAMKZTLBNCNUGD-KBPBESRZSA-N 2 0 253.434 1.789 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000085359739 179031745 /nfs/dbraw/zinc/03/17/45/179031745.db2.gz XXUWDFRIJQXIBZ-CABCVRRESA-N 2 0 281.444 1.885 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085359175 179032086 /nfs/dbraw/zinc/03/20/86/179032086.db2.gz MUMYSEIRULHXIM-AVGNSLFASA-N 2 0 253.390 1.104 10 0 CDAERP CC(C)(C)[NH+]1CCC(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000085366308 179036979 /nfs/dbraw/zinc/03/69/79/179036979.db2.gz BMPPNYPFOHTTPO-KBPBESRZSA-N 2 0 281.444 1.883 10 0 CDAERP CC(C)[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000085367778 179037541 /nfs/dbraw/zinc/03/75/41/179037541.db2.gz ZKJSIELGXPKCPP-ZIAGYGMSSA-N 2 0 267.417 1.445 10 0 CDAERP C[NH+](C)CCN(C(=O)[C@H]1CCCC[C@@H]1[NH3+])C1CCCC1 ZINC000085369383 179039137 /nfs/dbraw/zinc/03/91/37/179039137.db2.gz GSSVEPSXERJHLV-GJZGRUSLSA-N 2 0 281.444 1.837 10 0 CDAERP c1nc2n(n1)[C@@H](C[NH+]1CCC(C[NH+]3CCCC3)CC1)CC2 ZINC000639453372 362744813 /nfs/dbraw/zinc/74/48/13/362744813.db2.gz YNQVFMLZLJPSAE-OAHLLOKOSA-N 2 0 289.427 1.573 10 0 CDAERP CC[NH+](CC)C[C@@H](O)CNc1cc[nH+]c2c(N)cccc12 ZINC000584627874 346504055 /nfs/dbraw/zinc/50/40/55/346504055.db2.gz NSBKEFJVRKHLBI-LBPRGKRZSA-N 2 0 288.395 1.932 10 0 CDAERP CCc1nc2c(n1[C@H](C)C[NH+](CC)CC)CC[NH2+]C2 ZINC000085573183 179098412 /nfs/dbraw/zinc/09/84/12/179098412.db2.gz MSGJMQCARIMSQV-GFCCVEGCSA-N 2 0 264.417 1.994 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H](O)C2)CC1(C)C ZINC000623429170 346593405 /nfs/dbraw/zinc/59/34/05/346593405.db2.gz PUZQFKSKTUELPR-HZSPNIEDSA-N 2 0 254.418 2.000 10 0 CDAERP COCCOC[C@@H](C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623431411 346632811 /nfs/dbraw/zinc/63/28/11/346632811.db2.gz DDGSVWCQXPDKQK-OLZOCXBDSA-N 2 0 258.406 1.500 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1CCc2nc[nH]c2C1 ZINC000612304048 347106241 /nfs/dbraw/zinc/10/62/41/347106241.db2.gz LEFFJKRKTUNKPO-ZETOZRRWSA-N 2 0 288.395 1.114 10 0 CDAERP CN1CC[C@@H](NC(=O)C2C[NH2+]C2)[C@@H]1c1ccc(Cl)cc1 ZINC000263328362 362775167 /nfs/dbraw/zinc/77/51/67/362775167.db2.gz UBNUMZKJRFPXFL-KGLIPLIRSA-N 2 0 293.798 1.421 10 0 CDAERP CC[NH2+][C@H](CCO)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000085922832 179201007 /nfs/dbraw/zinc/20/10/07/179201007.db2.gz IPHJLZOZXOISHF-MRXNPFEDSA-N 2 0 283.460 1.155 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@@]2(C)CC[NH2+]C2)cc1 ZINC000612914502 347329018 /nfs/dbraw/zinc/32/90/18/347329018.db2.gz FUTWIMIGRNWJTO-ABAIWWIYSA-N 2 0 276.384 1.258 10 0 CDAERP C[NH+]1CCC(N2CC[NH2+][C@H](C3CCCCC3)C2)CC1 ZINC000086127478 179235716 /nfs/dbraw/zinc/23/57/16/179235716.db2.gz PXXYETAZWPRYEG-INIZCTEOSA-N 2 0 265.445 1.935 10 0 CDAERP C[N@@H+]1CCC[C@H](N2CC[NH2+]C3(CCCCC3)C2)C1 ZINC000086142265 179238042 /nfs/dbraw/zinc/23/80/42/179238042.db2.gz CWXAPQKSVQJZFS-AWEZNQCLSA-N 2 0 251.418 1.689 10 0 CDAERP C[C@H]1C[NH2+][C@](C)(C2CC2)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086182531 179248014 /nfs/dbraw/zinc/24/80/14/179248014.db2.gz PQZGRMDCZQMTJW-MAZHCROVSA-N 2 0 263.429 1.543 10 0 CDAERP CCO[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623492159 347603364 /nfs/dbraw/zinc/60/33/64/347603364.db2.gz NYLKEQMFTDHCRQ-MELADBBJSA-N 2 0 270.417 1.643 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623560938 347632759 /nfs/dbraw/zinc/63/27/59/347632759.db2.gz XSPOTWYFEOQGCK-MCIONIFRSA-N 2 0 253.434 1.789 10 0 CDAERP C[C@@H]1C[N@H+](CCCN[C@@H]2CC[NH+](C)C(C)(C)C2)CCCO1 ZINC000623507399 347608521 /nfs/dbraw/zinc/60/85/21/347608521.db2.gz HDZGTQGESWUCQB-HZPDHXFCSA-N 2 0 297.487 1.950 10 0 CDAERP C[N@@H+]1CCc2nc(OCCC[NH+]3CCCC3)ccc2C1 ZINC000043208255 348739441 /nfs/dbraw/zinc/73/94/41/348739441.db2.gz UWEQSUWNSOXCKN-UHFFFAOYSA-N 2 0 275.396 1.934 10 0 CDAERP c1ccc(C[N@H+]2CCC[C@@H]2CN2CC[NH2+]CC2)cc1 ZINC000163588744 348743166 /nfs/dbraw/zinc/74/31/66/348743166.db2.gz HVEYOCOXNYLBHC-MRXNPFEDSA-N 2 0 259.397 1.556 10 0 CDAERP CCC[NH2+]CC1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000104422835 185996907 /nfs/dbraw/zinc/99/69/07/185996907.db2.gz BFFWVHUBCQRDNZ-GFCCVEGCSA-N 2 0 267.417 1.365 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1oc(C)nc1C ZINC000628234013 362965149 /nfs/dbraw/zinc/96/51/49/362965149.db2.gz HMGBLVVFHFGAMV-CYBMUJFWSA-N 2 0 269.389 1.738 10 0 CDAERP CCn1nccc1CC[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000621774179 350770982 /nfs/dbraw/zinc/77/09/82/350770982.db2.gz MSVXIZAUGUDCDN-LBPRGKRZSA-N 2 0 250.390 1.505 10 0 CDAERP CN1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000629550614 362984734 /nfs/dbraw/zinc/98/47/34/362984734.db2.gz OBFDGHNPXAQDHR-GBJTYRQASA-N 2 0 251.418 1.591 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)[C@@H](C)C(=O)NC1CCC(C)CC1 ZINC000629568528 363021424 /nfs/dbraw/zinc/02/14/24/363021424.db2.gz LAERYDGRIAKOAH-SLTAFYQDSA-N 2 0 299.459 1.238 10 0 CDAERP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[C@H]1CCCCO1 ZINC000623921416 351331124 /nfs/dbraw/zinc/33/11/24/351331124.db2.gz WPHRFVUIPAVDEE-RKTXRCNFSA-N 2 0 296.455 1.911 10 0 CDAERP COCC[N@@H+](Cc1ccnn1C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414735622 366043613 /nfs/dbraw/zinc/04/36/13/366043613.db2.gz FXFXJSSOQCEWPT-UONOGXRCSA-N 2 0 280.416 1.257 10 0 CDAERP C[C@H](COCc1ccccc1)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000390647004 363143415 /nfs/dbraw/zinc/14/34/15/363143415.db2.gz QZLIEMGDHPTBTD-NVXWUHKLSA-N 2 0 292.423 1.638 10 0 CDAERP C[C@@H]1CCC[C@H](C2(O)CNC2)[N@@H+]1Cc1ccccc1 ZINC000090411632 358473338 /nfs/dbraw/zinc/47/33/38/358473338.db2.gz HPXRRLUYHHFCGF-UKRRQHHQSA-N 2 0 260.381 1.764 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000571641077 363222062 /nfs/dbraw/zinc/22/20/62/363222062.db2.gz ZRNNJBJFNGPLRT-MCIONIFRSA-N 2 0 265.401 1.071 10 0 CDAERP [NH3+]C1(C[NH2+]CCCCOc2ccccc2)CCOCC1 ZINC000629655343 363259775 /nfs/dbraw/zinc/25/97/75/363259775.db2.gz VDZJMNXPTCPMKD-UHFFFAOYSA-N 2 0 278.396 1.943 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)CC1CC1 ZINC001660203652 1172175555 /nfs/dbraw/zinc/17/55/55/1172175555.db2.gz RKYRSFMNABZOKQ-MRXNPFEDSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000236763583 283060251 /nfs/dbraw/zinc/06/02/51/283060251.db2.gz YZQLTNVEEKANSO-BFHYXJOUSA-N 2 0 267.417 1.304 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000634765903 358503547 /nfs/dbraw/zinc/50/35/47/358503547.db2.gz JEEQYKOBHICKBW-DZKIICNBSA-N 2 0 279.428 1.223 10 0 CDAERP C[N@@H+]1CCC[C@H]2CN(C(=O)c3c[nH+]ccc3N)CC[C@@H]21 ZINC000211290430 356524834 /nfs/dbraw/zinc/52/48/34/356524834.db2.gz BKDHECITXMMPDT-FZMZJTMJSA-N 2 0 274.368 1.220 10 0 CDAERP CCSCC[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000273724932 192279445 /nfs/dbraw/zinc/27/94/45/192279445.db2.gz MDIQAVBBAHPBLS-UHFFFAOYSA-N 2 0 283.441 1.865 10 0 CDAERP C[C@H](CC[NH3+])[NH2+]CCCCCCCC[NH2+][C@@H](C)CC[NH3+] ZINC000013650051 356687460 /nfs/dbraw/zinc/68/74/60/356687460.db2.gz JEUQMNBOOMUMGW-IYBDPMFKSA-N 4 0 286.508 1.981 10 0 CDAERP CCC[NH2+]CCC[NH2+]CCCC[NH2+]CCC[NH2+]CCC ZINC000013604282 356683729 /nfs/dbraw/zinc/68/37/29/356683729.db2.gz DEPAUFDLCOSVPH-UHFFFAOYSA-N 4 0 286.508 1.725 10 0 CDAERP C[C@@H]1[C@H]([NH2+]CC(=O)N2CC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000564822738 357239385 /nfs/dbraw/zinc/23/93/85/357239385.db2.gz WIVYMDPRPXGFFB-NUEKZKHPSA-N 2 0 287.407 1.200 10 0 CDAERP C[C@@H](CNCc1c2c(nn1C)CCCC2)C[NH+](C)C ZINC000631139622 357255014 /nfs/dbraw/zinc/25/50/14/357255014.db2.gz KHOWEHLHRWXPEC-LBPRGKRZSA-N 2 0 264.417 1.586 10 0 CDAERP C[C@@](O)(C[C@@H](O)C[NH2+]C1CC[NH+](CC2CC2)CC1)C1CC1 ZINC000634700566 357371828 /nfs/dbraw/zinc/37/18/28/357371828.db2.gz BMMODOPTIFRUNU-IAGOWNOFSA-N 2 0 296.455 1.362 10 0 CDAERP C[C@H](C[NH2+]C[C@H](O)C[C@](C)(O)C1CC1)C[NH+]1CCCCC1 ZINC000634701447 357374434 /nfs/dbraw/zinc/37/44/34/357374434.db2.gz QDSAPBGHFBHERS-OIISXLGYSA-N 2 0 298.471 1.610 10 0 CDAERP CC[C@@H](C)C[N@H+](CC)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001660502492 1172221693 /nfs/dbraw/zinc/22/16/93/1172221693.db2.gz SCDVIYPLOQDRRJ-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[NH+](CC)C[C@H]2C)CC[N@@H+]1C ZINC000632216836 357496686 /nfs/dbraw/zinc/49/66/86/357496686.db2.gz NUKQDYFQVWDNOH-APIJFGDWSA-N 2 0 281.444 1.658 10 0 CDAERP COCC1([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CCOCC1 ZINC000628293847 357488641 /nfs/dbraw/zinc/48/86/41/357488641.db2.gz VCGGIAYSWHVEIT-ZDUSSCGKSA-N 2 0 270.417 1.644 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+]1CCCC[C@H]1C ZINC000245893009 140279390 /nfs/dbraw/zinc/27/93/90/140279390.db2.gz GMJDFKMNZUXBLI-HUUCEWRRSA-N 2 0 281.444 1.851 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000566171845 358274953 /nfs/dbraw/zinc/27/49/53/358274953.db2.gz VEUJHYPJYBMLIJ-QLFBSQMISA-N 2 0 281.444 1.885 10 0 CDAERP C[C@H]([NH2+]C1CC1)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000566185482 358314298 /nfs/dbraw/zinc/31/42/98/358314298.db2.gz LKVLSUQYFGZWTB-GMXVVIOVSA-N 2 0 253.390 1.068 10 0 CDAERP CCC[N@H+](C[C@@H]1CCCCO1)C[C@@](C)(O)C[NH2+]C ZINC000569583078 358644570 /nfs/dbraw/zinc/64/45/70/358644570.db2.gz IYTUHBARFNKJJV-KBPBESRZSA-N 2 0 258.406 1.238 10 0 CDAERP C[NH2+][C@H](C)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000054076202 358700946 /nfs/dbraw/zinc/70/09/46/358700946.db2.gz SJVILZHSZSDKEA-ZJUUUORDSA-N 2 0 255.387 1.075 10 0 CDAERP O=C(C[C@@H]1CCC[NH2+]C1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000054291711 358710451 /nfs/dbraw/zinc/71/04/51/358710451.db2.gz HRZHAKFRZQFNTL-IHRRRGAJSA-N 2 0 265.401 1.119 10 0 CDAERP CC(C)[N@H+](C)CC1CCN(C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000062115349 358800149 /nfs/dbraw/zinc/80/01/49/358800149.db2.gz NXPVRACRSAKCQI-AWEZNQCLSA-N 2 0 267.417 1.175 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CCC[NH2+]CC1 ZINC000335211890 359049054 /nfs/dbraw/zinc/04/90/54/359049054.db2.gz ZHGLQVNZDJXEPE-OKILXGFUSA-N 2 0 282.432 1.254 10 0 CDAERP CC(C)C(=O)NC1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000262004111 359120495 /nfs/dbraw/zinc/12/04/95/359120495.db2.gz LQXJSEKHQFJKTO-HNNXBMFYSA-N 2 0 267.417 1.223 10 0 CDAERP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000261927594 359092447 /nfs/dbraw/zinc/09/24/47/359092447.db2.gz ZNVZFPPJLAOYAQ-LSDHHAIUSA-N 2 0 293.455 1.886 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)C1 ZINC000262034879 359126641 /nfs/dbraw/zinc/12/66/41/359126641.db2.gz XUQXCOGRDXNWNH-NNXHMXCWSA-N 2 0 295.471 1.606 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309679744 359295191 /nfs/dbraw/zinc/29/51/91/359295191.db2.gz YYUCNPFPZVCMSS-GDBMZVCRSA-N 2 0 289.423 1.752 10 0 CDAERP C[NH2+]CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000237181697 359392818 /nfs/dbraw/zinc/39/28/18/359392818.db2.gz BDLHYPLZEHHBHX-GOEBONIOSA-N 2 0 289.423 1.575 10 0 CDAERP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H](CO)c1ccccc1 ZINC000423002662 359717991 /nfs/dbraw/zinc/71/79/91/359717991.db2.gz GMKRBHMKTGKMKE-VNQPRFMTSA-N 2 0 262.397 1.740 10 0 CDAERP COc1cccc(CC[NH2+][C@@H](C)CCCC[NH3+])n1 ZINC000423010325 359740357 /nfs/dbraw/zinc/74/03/57/359740357.db2.gz XMXWEVQCLSTDLG-LBPRGKRZSA-N 2 0 251.374 1.740 10 0 CDAERP CCc1ccccc1[C@H]([NH3+])CN[C@H]1C[N@H+](C)C[C@@H]1C ZINC000423498278 359823220 /nfs/dbraw/zinc/82/32/20/359823220.db2.gz HWJFSBQQDRQRDD-MAZHCROVSA-N 2 0 261.413 1.789 10 0 CDAERP CO[C@@H](C)[C@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423521818 359840652 /nfs/dbraw/zinc/84/06/52/359840652.db2.gz UBBCNEREXBMENZ-HESLUPGFSA-N 2 0 269.433 1.216 10 0 CDAERP CN(C)C(=O)C1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000356873083 366602881 /nfs/dbraw/zinc/60/28/81/366602881.db2.gz KESUJFNDULWPOB-HNNXBMFYSA-N 2 0 281.444 1.661 10 0 CDAERP C[C@]1(C[NH+]2CCC(C[NH+]3CCCC3)CC2)CC[NH2+]C1 ZINC000062912533 360030833 /nfs/dbraw/zinc/03/08/33/360030833.db2.gz ANHZASYYZOFJGY-INIZCTEOSA-N 3 0 265.445 1.794 10 0 CDAERP C[NH+](C)CCOCC[NH2+]Cc1ccc(C(F)F)nc1 ZINC000631113856 360192722 /nfs/dbraw/zinc/19/27/22/360192722.db2.gz RJNGLCLHJUELAF-UHFFFAOYSA-N 2 0 273.327 1.687 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000237957724 360192913 /nfs/dbraw/zinc/19/29/13/360192913.db2.gz MKNKSZJFLZMIEY-QWHCGFSZSA-N 2 0 279.428 1.637 10 0 CDAERP Cc1cc(C[C@@H](C)[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)[nH]n1 ZINC000090533087 360216720 /nfs/dbraw/zinc/21/67/20/360216720.db2.gz UOOFNIJGGGTIDS-YODMDTAWSA-N 2 0 264.417 1.967 10 0 CDAERP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2oc(C)nc2C)CC1 ZINC000628202274 360241252 /nfs/dbraw/zinc/24/12/52/360241252.db2.gz NIISIGSOGWKFQA-LBPRGKRZSA-N 2 0 280.416 1.407 10 0 CDAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CN[C@@H]1CC[NH2+]C1 ZINC000635002902 360646133 /nfs/dbraw/zinc/64/61/33/360646133.db2.gz AZXAXGRTZLGEHZ-HYVNUMGLSA-N 2 0 273.424 1.706 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000626934372 360653920 /nfs/dbraw/zinc/65/39/20/360653920.db2.gz FLCVZPRLEXBQBB-MELADBBJSA-N 2 0 282.432 1.301 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H](C)C[NH+](CC)CC ZINC000626951628 360695455 /nfs/dbraw/zinc/69/54/55/360695455.db2.gz CQSSBFFCLDLFEP-RWMBFGLXSA-N 2 0 270.421 1.156 10 0 CDAERP [NH3+]Cc1cccc(OC(CO)Oc2cccc(C[NH3+])c2)c1 ZINC000575448279 366683510 /nfs/dbraw/zinc/68/35/10/366683510.db2.gz DOQNENYNEYRHLI-UHFFFAOYSA-N 2 0 288.347 1.380 10 0 CDAERP CC[C@H]1C[N@H+](CC)CCN1C(=O)NCCc1cn(C)cn1 ZINC000582167046 360876720 /nfs/dbraw/zinc/87/67/20/360876720.db2.gz LSKOBTYLDWBJSX-AWEZNQCLSA-N 2 0 293.415 1.088 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000416829823 296026274 /nfs/dbraw/zinc/02/62/74/296026274.db2.gz NRWOKBGNYVFCNP-NEPJUHHUSA-N 2 0 270.421 1.286 10 0 CDAERP CC[C@@H](C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)[NH+](C)C ZINC000338970785 361181621 /nfs/dbraw/zinc/18/16/21/361181621.db2.gz NFTKRRABRDWFPC-MJBXVCDLSA-N 2 0 269.433 1.706 10 0 CDAERP C[NH+](C)C1CCN(C(=O)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000036192650 361221039 /nfs/dbraw/zinc/22/10/39/361221039.db2.gz XIMNMAMCJSKXLE-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP CSCC[C@@H]([NH3+])C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000262595488 361481230 /nfs/dbraw/zinc/48/12/30/361481230.db2.gz WOJVVGIJBBCGJK-ZIAGYGMSSA-N 2 0 299.484 1.257 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000339445313 361509886 /nfs/dbraw/zinc/50/98/86/361509886.db2.gz PQPIYAWOZPPLDU-KBPBESRZSA-N 2 0 294.443 1.397 10 0 CDAERP CC[C@@H](CO)[NH+]1CCN(CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000351219029 361622849 /nfs/dbraw/zinc/62/28/49/361622849.db2.gz AQOHUXLNXYTOPB-HOTGVXAUSA-N 2 0 283.460 1.249 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC000438098501 361710482 /nfs/dbraw/zinc/71/04/82/361710482.db2.gz OYHTZCCLWYYYCM-DLBZAZTESA-N 2 0 295.471 1.515 10 0 CDAERP C[C@H]1C[C@H]([NH2+]C2CCC(C(N)=O)CC2)CN1C1CC1 ZINC000161713877 363908891 /nfs/dbraw/zinc/90/88/91/363908891.db2.gz QCGZBIYEFQTYLR-WTIISPKJSA-N 2 0 265.401 1.245 10 0 CDAERP c1[nH+]cn2cc(C[NH2+][C@@H](C3CC3)[C@H]3CNCCO3)ccc12 ZINC000566555684 370762203 /nfs/dbraw/zinc/76/22/03/370762203.db2.gz MRFGYUAAKRFWMK-CVEARBPZSA-N 2 0 286.379 1.191 10 0 CDAERP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(C)CCC[NH+](C)C ZINC000186250352 364545451 /nfs/dbraw/zinc/54/54/51/364545451.db2.gz PAVBJAJRJJNDHO-HNNXBMFYSA-N 2 0 298.475 1.844 10 0 CDAERP C[NH2+]C[C@H](C)C(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000373040352 364565701 /nfs/dbraw/zinc/56/57/01/364565701.db2.gz RAURJIRAFYYNOE-KBPBESRZSA-N 2 0 267.417 1.319 10 0 CDAERP [NH3+]CCC[C@H]([NH3+])c1cc(O)ccc1Br ZINC000575440142 364995258 /nfs/dbraw/zinc/99/52/58/364995258.db2.gz KIAKFMIXGGTFRW-JTQLQIEISA-N 2 0 259.147 1.893 10 0 CDAERP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C)[C@@H]3CCC[C@H]32)CC[N@@H+]1C ZINC000353530280 365281635 /nfs/dbraw/zinc/28/16/35/365281635.db2.gz LQAULQVZAYSSHA-IBEHDNSVSA-N 2 0 265.445 1.932 10 0 CDAERP C[C@@H](NC(=O)N[C@@H](C)[C@H](C)[NH3+])[C@@H](c1ccccc1)[NH+](C)C ZINC000418183229 296085064 /nfs/dbraw/zinc/08/50/64/296085064.db2.gz NZCOCRNQWLNFDA-XPCVCDNBSA-N 2 0 292.427 1.713 10 0 CDAERP C[C@H](C[NH2+][C@H](C)[C@H]1C[C@H]1C)CN1CC[NH+](C)CC1 ZINC000414073478 241055507 /nfs/dbraw/zinc/05/55/07/241055507.db2.gz MCWWJJALTKBFCQ-TUVASFSCSA-N 2 0 253.434 1.504 10 0 CDAERP Cc1occc1C[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000414368404 241172196 /nfs/dbraw/zinc/17/21/96/241172196.db2.gz SGRZXEHFUMKOFQ-HNNXBMFYSA-N 2 0 295.427 1.770 10 0 CDAERP CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414684220 241321663 /nfs/dbraw/zinc/32/16/63/241321663.db2.gz CUSCZWFHSVSNPG-ZNMIVQPWSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H](CNC(=O)N[C@@H]1CC[NH2+]C12CCC2)[N@H+](C)C1CC1 ZINC000626970693 367107865 /nfs/dbraw/zinc/10/78/65/367107865.db2.gz TVDJCQCZSVGUAP-DGCLKSJQSA-N 2 0 280.416 1.053 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000416853642 242186854 /nfs/dbraw/zinc/18/68/54/242186854.db2.gz VJWQEMKUYCROLK-CHWSQXEVSA-N 2 0 284.448 1.676 10 0 CDAERP CC[NH+](CC)CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000565181814 367642747 /nfs/dbraw/zinc/64/27/47/367642747.db2.gz NWRKYDXKTROVJX-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)C[C@H]1C ZINC000627199889 367690786 /nfs/dbraw/zinc/69/07/86/367690786.db2.gz FPXZSYIJZPNXPD-TUVASFSCSA-N 2 0 296.459 1.641 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000627201186 367694358 /nfs/dbraw/zinc/69/43/58/367694358.db2.gz YCNHSXFRVUFNMG-MGPQQGTHSA-N 2 0 282.432 1.253 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N(CC[NH+](C)C)C2CCCC2)C[NH2+]1 ZINC000627202606 367697975 /nfs/dbraw/zinc/69/79/75/367697975.db2.gz RVYKVRYFDGHEDO-KGLIPLIRSA-N 2 0 296.459 1.643 10 0 CDAERP C[C@@H](Cn1cccn1)[NH2+]CC1([NH3+])CCCCCC1 ZINC000414857584 367721146 /nfs/dbraw/zinc/72/11/46/367721146.db2.gz FCUQNPYLLVJIMR-ZDUSSCGKSA-N 2 0 250.390 1.913 10 0 CDAERP C[C@@H]1C[C@H](C[NH2+]CCCNCc2cccnc2)CC[NH2+]1 ZINC000414857308 367713303 /nfs/dbraw/zinc/71/33/03/367713303.db2.gz COWQQZVUYIBSBX-HUUCEWRRSA-N 2 0 276.428 1.539 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH2+][C@H]2C)[C@@H](C)C1 ZINC000627242726 367812403 /nfs/dbraw/zinc/81/24/03/367812403.db2.gz YIEXFEBWWRJGAR-FQUUOJAGSA-N 2 0 282.432 1.109 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000627226876 367773920 /nfs/dbraw/zinc/77/39/20/367773920.db2.gz UFVBOCUOSFQGPH-KFWWJZLASA-N 2 0 294.443 1.112 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000627244903 367857975 /nfs/dbraw/zinc/85/79/75/367857975.db2.gz KJTHIAQRJFTYAI-GBJTYRQASA-N 2 0 294.443 1.301 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000627244542 367850512 /nfs/dbraw/zinc/85/05/12/367850512.db2.gz CNRGVQDIKTYBEG-GLQYFDAESA-N 2 0 288.395 1.005 10 0 CDAERP Cc1nc(F)ccc1C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000282497302 367914185 /nfs/dbraw/zinc/91/41/85/367914185.db2.gz WJBCKLSUYMGINR-UHFFFAOYSA-N 2 0 294.418 1.645 10 0 CDAERP C[C@@H](CNC(=O)C1=CC[C@H]([NH3+])C1)C[NH+]1CCCCC1 ZINC000638077684 368105480 /nfs/dbraw/zinc/10/54/80/368105480.db2.gz VKNNYDZDIORFJR-JSGCOSHPSA-N 2 0 265.401 1.272 10 0 CDAERP CC[C@@H]([NH3+])CNC(=O)NCC1([NH3+])CCCCCC1 ZINC000418280838 242888789 /nfs/dbraw/zinc/88/87/89/242888789.db2.gz BQDMOEXGMBBYPF-LLVKDONJSA-N 2 0 256.394 1.075 10 0 CDAERP C[N@H+](CCNC(=O)C1=CC[C@@H]([NH3+])C1)C1CCCC1 ZINC000638102375 368359651 /nfs/dbraw/zinc/35/96/51/368359651.db2.gz UIVGDIVCMGCHET-GFCCVEGCSA-N 2 0 251.374 1.025 10 0 CDAERP CCCN(C(=O)NC[C@H]([NH3+])c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000418404613 243036042 /nfs/dbraw/zinc/03/60/42/243036042.db2.gz AGXKEPUNCYLJJO-GJZGRUSLSA-N 2 0 290.411 1.470 10 0 CDAERP [NH3+]C[C@@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)C1CC1 ZINC000418412697 243043973 /nfs/dbraw/zinc/04/39/73/243043973.db2.gz YBRNESHVICXHRC-OAHLLOKOSA-N 2 0 294.443 1.241 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C[NH3+])C2CC2)[C@@H](C)C1 ZINC000418448983 243090481 /nfs/dbraw/zinc/09/04/81/243090481.db2.gz CUMAXQJBIXMJBU-YUTCNCBUSA-N 2 0 282.432 1.095 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@H](C)CC[NH3+])cc1 ZINC000418461502 243105562 /nfs/dbraw/zinc/10/55/62/243105562.db2.gz LYGNIZPJSIEFAH-GHMZBOCLSA-N 2 0 264.373 1.243 10 0 CDAERP CC[NH2+][C@H](C)CNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000418461801 243105666 /nfs/dbraw/zinc/10/56/66/243105666.db2.gz MMSPLQIGUQCVPS-VXGBXAGGSA-N 2 0 278.400 1.504 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000418548087 243201819 /nfs/dbraw/zinc/20/18/19/243201819.db2.gz JQDFVZYROLYOTP-ILXRZTDVSA-N 2 0 294.443 1.112 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000418583042 243237800 /nfs/dbraw/zinc/23/78/00/243237800.db2.gz WHKYRWJNULCAJP-UKRRQHHQSA-N 2 0 296.459 1.500 10 0 CDAERP CC[NH2+][C@@H](C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000638121228 368514081 /nfs/dbraw/zinc/51/40/81/368514081.db2.gz FJSUXRUTMTZZOQ-WODVXLOZSA-N 2 0 253.390 1.116 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)CCCC[NH3+])[C@@H](C)C1 ZINC000418668660 243326894 /nfs/dbraw/zinc/32/68/94/243326894.db2.gz GVFFROPLNGAOFY-KKUMJFAQSA-N 2 0 298.475 1.876 10 0 CDAERP C[C@@H](NC(=O)N[C@H](CCC[NH3+])c1ccccc1)[C@H](C)[NH3+] ZINC000418684237 243337011 /nfs/dbraw/zinc/33/70/11/243337011.db2.gz XZCYMIQCOKELQF-OUCADQQQSA-N 2 0 278.400 1.502 10 0 CDAERP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@@H](C)[C@H](C)[NH3+])o1 ZINC000418709072 243361834 /nfs/dbraw/zinc/36/18/34/243361834.db2.gz UQTZOPXNSIVQTB-STQMWFEESA-N 2 0 296.415 1.397 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000418711532 243364785 /nfs/dbraw/zinc/36/47/85/243364785.db2.gz WJBJIXCXZUUOPA-MELADBBJSA-N 2 0 282.432 1.382 10 0 CDAERP CCOC1CC(O)(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000367596993 369195006 /nfs/dbraw/zinc/19/50/06/369195006.db2.gz KYMSZIPOPOCPPJ-RDRUIREHSA-N 2 0 282.428 1.379 10 0 CDAERP [NH3+]CCC[N@@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000420377947 244173142 /nfs/dbraw/zinc/17/31/42/244173142.db2.gz SZORCJKKVSPUPQ-CYBMUJFWSA-N 2 0 258.369 1.850 10 0 CDAERP Cn1cc(CCC[NH2+][C@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cn1 ZINC000367748468 369235471 /nfs/dbraw/zinc/23/54/71/369235471.db2.gz ZWXUPKMSFIGEPS-JYJNAYRXSA-N 2 0 276.428 1.815 10 0 CDAERP COC(=O)CC1(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)CC1 ZINC000420402084 244203799 /nfs/dbraw/zinc/20/37/99/244203799.db2.gz QBUZKAOVFXHDJX-UONOGXRCSA-N 2 0 280.412 1.794 10 0 CDAERP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000368428457 369473704 /nfs/dbraw/zinc/47/37/04/369473704.db2.gz FYYZLXKSSUCQCH-FQUUOJAGSA-N 2 0 267.417 1.350 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170830903 369513134 /nfs/dbraw/zinc/51/31/34/369513134.db2.gz DJGUYNJYVWPNGV-KGLIPLIRSA-N 2 0 284.448 1.308 10 0 CDAERP c1cnn(C2CC([NH2+][C@H]3CCN4CCCC[C@@H]34)C2)c1 ZINC000638368746 369546690 /nfs/dbraw/zinc/54/66/90/369546690.db2.gz MQQOKRWVPMRIQD-WUCCLRPBSA-N 2 0 260.385 1.803 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CCCC[C@@H]1O ZINC000547647672 369597731 /nfs/dbraw/zinc/59/77/31/369597731.db2.gz XHJVEQXZLMPMQP-HOTGVXAUSA-N 2 0 286.379 1.969 10 0 CDAERP CCC[N@H+](CC)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000370747884 370152348 /nfs/dbraw/zinc/15/23/48/370152348.db2.gz GGTQTLKTNHFWPI-OAHLLOKOSA-N 2 0 299.459 1.191 10 0 CDAERP CCCCOC[C@H](O)C[N@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000300296120 370250824 /nfs/dbraw/zinc/25/08/24/370250824.db2.gz VWRNXJSLJHSCGI-UONOGXRCSA-N 2 0 258.406 1.048 10 0 CDAERP CC[C@H]1C[C@H](C[NH+]2CCC([NH2+]CCOC)CC2)CCO1 ZINC000565837067 370547911 /nfs/dbraw/zinc/54/79/11/370547911.db2.gz KRKGKSIVXCYKLX-ZBFHGGJFSA-N 2 0 284.444 1.892 10 0 CDAERP CC[NH+](CC)CCC[N@@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000372804613 370528462 /nfs/dbraw/zinc/52/84/62/370528462.db2.gz FMVPNVUEDLXIHM-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)(CC[NH3+])NC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000422608740 245132560 /nfs/dbraw/zinc/13/25/60/245132560.db2.gz MZRKJNIFKWCNJJ-GFCCVEGCSA-N 2 0 264.373 1.113 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001661511247 1172399731 /nfs/dbraw/zinc/39/97/31/1172399731.db2.gz OATQUVZFXUWWQP-HDJSIYSDSA-N 2 0 267.417 1.530 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NCc1cnn(C(C)(C)C)c1 ZINC000414959128 371072872 /nfs/dbraw/zinc/07/28/72/371072872.db2.gz PRFSWFLWKVRMRG-DGCLKSJQSA-N 2 0 250.390 1.726 10 0 CDAERP C[C@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)C1C[NH2+]C1 ZINC000422870879 245356670 /nfs/dbraw/zinc/35/66/70/245356670.db2.gz CKLIBTULDKJZTI-CMPLNLGQSA-N 2 0 280.803 1.511 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCN1CCCC[C@@H]1C ZINC000422857097 245339317 /nfs/dbraw/zinc/33/93/17/245339317.db2.gz GWKLYOFCEYKIGQ-KBPBESRZSA-N 2 0 257.422 1.204 10 0 CDAERP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000166022105 371401096 /nfs/dbraw/zinc/40/10/96/371401096.db2.gz BGQHOWMFJPHAOV-BFHYXJOUSA-N 2 0 267.417 1.223 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@]1(C)CCC(=O)N1 ZINC000573061558 371402886 /nfs/dbraw/zinc/40/28/86/371402886.db2.gz JZGMGUOFVKXQTE-INIZCTEOSA-N 2 0 299.378 1.334 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000417386024 376207187 /nfs/dbraw/zinc/20/71/87/376207187.db2.gz FLCSHZVGRAPYAU-ZFWWWQNUSA-N 2 0 296.459 1.487 10 0 CDAERP O=C(C[C@@H]1CCC[NH2+]C1)N1CC[NH+](C2CCC2)CC1 ZINC000393184462 372292260 /nfs/dbraw/zinc/29/22/60/372292260.db2.gz NTDYZIBNLODCSY-ZDUSSCGKSA-N 2 0 265.401 1.073 10 0 CDAERP C[C@H]([NH3+])[C@H](C)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000578235542 372362296 /nfs/dbraw/zinc/36/22/96/372362296.db2.gz KBGXDGQKTWGAKD-ZSVAQUKISA-N 2 0 253.390 1.103 10 0 CDAERP CC[C@@H](CC(F)F)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000578318296 372390252 /nfs/dbraw/zinc/39/02/52/372390252.db2.gz QCSHOMVWGFHHKW-LBPRGKRZSA-N 2 0 293.402 1.620 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC([NH3+])CC1 ZINC000333126415 205050346 /nfs/dbraw/zinc/05/03/46/205050346.db2.gz BDEFXDVXBMWWDL-CQSZACIVSA-N 2 0 282.432 1.240 10 0 CDAERP Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000581141855 372852114 /nfs/dbraw/zinc/85/21/14/372852114.db2.gz FINGUDVVYPMMBK-ZIAGYGMSSA-N 2 0 264.417 1.829 10 0 CDAERP C[C@H]1C[C@H](NC(=[NH2+])NCc2ccccc2)CC[N@@H+]1C ZINC000307494108 372969036 /nfs/dbraw/zinc/96/90/36/372969036.db2.gz FFRFDIQZBVDTCF-GXTWGEPZSA-N 2 0 260.385 1.783 10 0 CDAERP C[C@@H](CCNC(=O)N[C@H]1CCCC[NH2+]C1)[NH+]1CCCCC1 ZINC000333528543 205409418 /nfs/dbraw/zinc/40/94/18/205409418.db2.gz HPZUBWBKCYYFNJ-GJZGRUSLSA-N 2 0 296.459 1.692 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000645685239 373236380 /nfs/dbraw/zinc/23/63/80/373236380.db2.gz WPJWRMSRJXOBIN-CABCVRRESA-N 2 0 289.423 1.923 10 0 CDAERP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1cnccc1N ZINC000423420060 245808392 /nfs/dbraw/zinc/80/83/92/245808392.db2.gz JIGKMDBNSPCWDG-JHJVBQTASA-N 2 0 262.401 1.910 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H]2CCC[NH2+]CC2)cc1 ZINC000638762337 373528425 /nfs/dbraw/zinc/52/84/25/373528425.db2.gz ZVJCUSGUUBHJAB-WFASDCNBSA-N 2 0 290.411 1.648 10 0 CDAERP COC[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)C1CC1 ZINC000423504177 245862066 /nfs/dbraw/zinc/86/20/66/245862066.db2.gz GNEABNNAAAFCIW-GPANFISMSA-N 2 0 281.444 1.217 10 0 CDAERP CC[C@H]1CCCC[C@H]1C[NH2+]CCN1CC[C@@H](O)C1 ZINC000628464782 374249407 /nfs/dbraw/zinc/24/94/07/374249407.db2.gz JEGKYUXNJYSGCV-SOUVJXGZSA-N 2 0 254.418 1.859 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000418568892 374411490 /nfs/dbraw/zinc/41/14/90/374411490.db2.gz HNEQUMRAKSLRGL-IIAWOOMASA-N 2 0 294.443 1.112 10 0 CDAERP C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631888278 374511682 /nfs/dbraw/zinc/51/16/82/374511682.db2.gz XTEJBYALJARWHR-XUWVNRHRSA-N 2 0 293.455 1.850 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C1CCCCC1 ZINC000342857499 374637613 /nfs/dbraw/zinc/63/76/13/374637613.db2.gz TYCJBNYBGOZIHK-AWEZNQCLSA-N 2 0 267.417 1.461 10 0 CDAERP O[C@H](C[NH2+]CCC1CCOCC1)C[NH+]1CCCCC1 ZINC000312078493 375648956 /nfs/dbraw/zinc/64/89/56/375648956.db2.gz RMZMJULMMYGXEZ-OAHLLOKOSA-N 2 0 270.417 1.240 10 0 CDAERP CC[NH+](CC)CCNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000416789236 375682306 /nfs/dbraw/zinc/68/23/06/375682306.db2.gz JTWZGJMWXQYGJV-HNNXBMFYSA-N 2 0 282.432 1.113 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000417011308 375715611 /nfs/dbraw/zinc/71/56/11/375715611.db2.gz RLWWYVCOGZMELS-AGIUHOORSA-N 2 0 270.421 1.095 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000417289786 375748485 /nfs/dbraw/zinc/74/84/85/375748485.db2.gz VGLIUDLEYOBZFV-WFASDCNBSA-N 2 0 290.411 1.600 10 0 CDAERP C[C@H]1C[N@H+](C)CC[C@@]12C[NH+]=C(N)N2Cc1ccccc1 ZINC000306935270 375805738 /nfs/dbraw/zinc/80/57/38/375805738.db2.gz GZKIFEOCAJBBOP-XJKSGUPXSA-N 2 0 272.396 1.527 10 0 CDAERP CC(C)OCC[NH2+]C1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001662126893 1172486002 /nfs/dbraw/zinc/48/60/02/1172486002.db2.gz RACYBUIJFSAQGW-UHFFFAOYSA-N 2 0 299.459 1.380 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)Cn2ccnc2)CC[N@@H+]1C ZINC000631423398 376228480 /nfs/dbraw/zinc/22/84/80/376228480.db2.gz AONCSUNIHNIVIK-MELADBBJSA-N 2 0 278.400 1.366 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N[C@@H](C)CCCC[NH3+])CC1 ZINC000417387606 376304531 /nfs/dbraw/zinc/30/45/31/376304531.db2.gz HIIKUPDLSWEEFW-AWEZNQCLSA-N 2 0 298.475 1.925 10 0 CDAERP CC[C@H]1CN(Cc2ccc3oc(=O)n(C)c3c2)CC[C@H]1[NH3+] ZINC000631825079 376653658 /nfs/dbraw/zinc/65/36/58/376653658.db2.gz YARTXXFFEQNRBT-QWHCGFSZSA-N 2 0 289.379 1.691 10 0 CDAERP COc1ccc([C@@H](C[NH3+])CN2CCCCC[C@@H]([NH3+])C2)cc1 ZINC000631834828 376679026 /nfs/dbraw/zinc/67/90/26/376679026.db2.gz GJPAAGGUYRLNMS-JKSUJKDBSA-N 2 0 291.439 1.941 10 0 CDAERP C[C@H]1C[N@H+](Cc2ccc(-n3ccnc3)cc2)C[C@@H]1C[NH3+] ZINC000631839484 376689162 /nfs/dbraw/zinc/68/91/62/376689162.db2.gz HBMZPWAMVUGWKX-ZFWWWQNUSA-N 2 0 270.380 1.899 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246534232 376938921 /nfs/dbraw/zinc/93/89/21/376938921.db2.gz XXHAGFZQZLUTQU-ZNMIVQPWSA-N 2 0 298.475 1.841 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]CCc2c(C)nn(C)c2C)[C@@H](C)C1 ZINC000246801379 376990412 /nfs/dbraw/zinc/99/04/12/376990412.db2.gz ABWFROBHLRQRKX-LRDDRELGSA-N 2 0 278.444 1.899 10 0 CDAERP O[C@H](C[N@@H+]1CC[C@H](CNc2ccccn2)C1)C(F)(F)F ZINC000248550916 377247052 /nfs/dbraw/zinc/24/70/52/377247052.db2.gz GMEPSJXPZPSDBW-GHMZBOCLSA-N 2 0 289.301 1.739 10 0 CDAERP CC[N@@H+]1CC[C@H](CN[C@@H]2C[C@@H](C)[NH+](C)C[C@H]2C)C1 ZINC000249373847 377427332 /nfs/dbraw/zinc/42/73/32/377427332.db2.gz GELKOGQGFMOEPZ-KBUPBQIOSA-N 2 0 253.434 1.647 10 0 CDAERP CC[N@H+](CCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000417492266 377554729 /nfs/dbraw/zinc/55/47/29/377554729.db2.gz UUOSRDIYMWPOFB-NNQSOWQGSA-N 2 0 294.443 1.395 10 0 CDAERP C[C@]1(C[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)CC[NH2+]C1 ZINC000572038496 377672778 /nfs/dbraw/zinc/67/27/78/377672778.db2.gz KDANOJHRVZKYLG-HNNXBMFYSA-N 2 0 296.436 1.320 10 0 CDAERP C[C@H](CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)[S@](C)=O ZINC000252729251 377715679 /nfs/dbraw/zinc/71/56/79/377715679.db2.gz FXKCWMKIAWYCHI-FJZAXULXSA-N 2 0 258.431 1.360 10 0 CDAERP C[C@H]1CC[NH2+][C@H](C(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000335029915 377778417 /nfs/dbraw/zinc/77/84/17/377778417.db2.gz LBSIACMTUFNUJV-PPWQZUPISA-N 2 0 279.428 1.508 10 0 CDAERP CCC[C@H](C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)[NH+](C)C ZINC000161703677 377742318 /nfs/dbraw/zinc/74/23/18/377742318.db2.gz HXRNAKAKUGBUOZ-TZMCWYRMSA-N 2 0 267.417 1.317 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1C(=O)NC1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000261599817 377873088 /nfs/dbraw/zinc/87/30/88/377873088.db2.gz BCFIPUUBTSTPRY-KYKFVJMVSA-N 2 0 265.401 1.136 10 0 CDAERP C[C@H](CNC(=O)CC[C@H](C)[NH3+])[NH+]1CCC(C)CC1 ZINC000193305804 378289361 /nfs/dbraw/zinc/28/93/61/378289361.db2.gz SSKCBQOIAFGGCQ-QWHCGFSZSA-N 2 0 255.406 1.350 10 0 CDAERP CC[NH+](CC)CCNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000233431928 378720207 /nfs/dbraw/zinc/72/02/07/378720207.db2.gz XMFKLQRAENLVFQ-GFCCVEGCSA-N 2 0 255.406 1.223 10 0 CDAERP C[N@@H+](CC1=CCSC1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662328023 412899062 /nfs/dbraw/zinc/89/90/62/412899062.db2.gz XRZMWXTXEGGEGP-GFCCVEGCSA-N 2 0 254.399 1.112 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cccc(O)c1 ZINC000657572669 412905200 /nfs/dbraw/zinc/90/52/00/412905200.db2.gz BEMIWKUDJPPJNF-AWEZNQCLSA-N 2 0 279.428 1.754 10 0 CDAERP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)[C@@H]1C[C@H]1C ZINC000657574047 412906557 /nfs/dbraw/zinc/90/65/57/412906557.db2.gz XGQVVIMMJUGAKQ-LXTVHRRPSA-N 2 0 255.450 1.893 10 0 CDAERP C[N@@H+](Cc1ccccc1F)CC1CC[NH+](CCO)CC1 ZINC000070017305 379331227 /nfs/dbraw/zinc/33/12/27/379331227.db2.gz SVSRFNXJGLVBOS-UHFFFAOYSA-N 2 0 280.387 1.962 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000334590289 379461970 /nfs/dbraw/zinc/46/19/70/379461970.db2.gz CCOLDFUXMFXONS-TZMCWYRMSA-N 2 0 267.417 1.221 10 0 CDAERP CC(C)[NH2+][C@H]1CCCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000655914068 412917786 /nfs/dbraw/zinc/91/77/86/412917786.db2.gz CFLUXBDJQZPXDB-UWVGGRQHSA-N 2 0 296.337 1.048 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000417011927 284801652 /nfs/dbraw/zinc/80/16/52/284801652.db2.gz UMEQAKUGNMMCNO-HIFRSBDPSA-N 2 0 282.432 1.112 10 0 CDAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000417931115 300002714 /nfs/dbraw/zinc/00/27/14/300002714.db2.gz LAAUJXJZRXYQRE-VXGQWTEUSA-N 2 0 296.459 1.404 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)N[C@H](C[NH3+])C(F)(F)F)CC[N@@H+]1C ZINC000655917959 412921989 /nfs/dbraw/zinc/92/19/89/412921989.db2.gz CBDTZZHRXYCRGX-OPRDCNLKSA-N 2 0 296.337 1.000 10 0 CDAERP COCCC[NH2+]C[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001662679766 1172579325 /nfs/dbraw/zinc/57/93/25/1172579325.db2.gz ATXFJABCXYCVPM-HUUCEWRRSA-N 2 0 299.459 1.047 10 0 CDAERP CC(C)[NH2+]CCCNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662411043 412979827 /nfs/dbraw/zinc/97/98/27/412979827.db2.gz QRLMFNPHAMHLLT-UHFFFAOYSA-N 2 0 253.390 1.152 10 0 CDAERP O[C@H]1C[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C12CCC2 ZINC000657710858 412995279 /nfs/dbraw/zinc/99/52/79/412995279.db2.gz YAMBEZYDRBWFOL-GJZGRUSLSA-N 2 0 284.363 1.660 10 0 CDAERP C[C@@H](NC(=O)NCC(C)(C)C[NH+]1CCCC1)[C@H](C)[NH3+] ZINC000418069580 533151373 /nfs/dbraw/zinc/15/13/73/533151373.db2.gz RZCRVWJACPUDQM-NWDGAFQWSA-N 2 0 270.421 1.143 10 0 CDAERP OCC[C@@H]1CSCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420294579 285265017 /nfs/dbraw/zinc/26/50/17/285265017.db2.gz BHIMRAKRARMIMO-CHWSQXEVSA-N 2 0 258.431 1.176 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000656127310 413040641 /nfs/dbraw/zinc/04/06/41/413040641.db2.gz XLEZXHVBQLPSRB-DDTOSNHZSA-N 2 0 279.359 1.282 10 0 CDAERP CC[C@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)CC[C@H]1[NH3+] ZINC000648126518 390145350 /nfs/dbraw/zinc/14/53/50/390145350.db2.gz LPKVCZOWTAOXQG-WCQYABFASA-N 2 0 276.384 1.347 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CC2CC[NH2+]CC2)[C@@H](C)C1 ZINC000246292035 285369706 /nfs/dbraw/zinc/36/97/06/285369706.db2.gz NKFNKIOIEWQVHY-DZGCQCFKSA-N 3 0 253.434 1.648 10 0 CDAERP C[C@H](CC(=O)N[C@@H]1CC[NH2+]C12CCCC2)C1CC[NH2+]CC1 ZINC000648206171 390951791 /nfs/dbraw/zinc/95/17/91/390951791.db2.gz VERKRDGTIAHTKX-UKRRQHHQSA-N 2 0 293.455 1.803 10 0 CDAERP Cc1cnc([C@@H](C)[N@H+](C)CCCN2CC[NH+](C)CC2)cn1 ZINC000428296779 390914935 /nfs/dbraw/zinc/91/49/35/390914935.db2.gz YUGOPQRRRDDANM-OAHLLOKOSA-N 2 0 291.443 1.415 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C[C@@]2(C)CC[NH2+]C2)C[C@H]1C ZINC000261998253 285396993 /nfs/dbraw/zinc/39/69/93/285396993.db2.gz LBUSHBAYCVQILE-ILXRZTDVSA-N 2 0 253.434 1.791 10 0 CDAERP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1cc2n(n1)CCCC2 ZINC000647301018 390924710 /nfs/dbraw/zinc/92/47/10/390924710.db2.gz OGIBFVCUTZYLAA-CYBMUJFWSA-N 2 0 280.416 1.448 10 0 CDAERP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000247446875 390927817 /nfs/dbraw/zinc/92/78/17/390927817.db2.gz YKEPOJFBLWKRRX-MGPQQGTHSA-N 2 0 267.417 1.495 10 0 CDAERP COc1ccccc1/C=C\C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647492810 390969566 /nfs/dbraw/zinc/96/95/66/390969566.db2.gz AYQLTTKZUCYXKA-ALCCZGGFSA-N 2 0 289.423 1.545 10 0 CDAERP OCc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1F ZINC000647548898 390991510 /nfs/dbraw/zinc/99/15/10/390991510.db2.gz ZXXRHIAXPFTEKV-VHDGCEQUSA-N 2 0 278.371 1.796 10 0 CDAERP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H](Nc3ncccn3)C2)CC[NH2+]1 ZINC000647552662 390998045 /nfs/dbraw/zinc/99/80/45/390998045.db2.gz QAGONJUQPDHZFY-HZSPNIEDSA-N 2 0 275.400 1.351 10 0 CDAERP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527665212 391088289 /nfs/dbraw/zinc/08/82/89/391088289.db2.gz MDTKNRCDUXEHAT-UBHSHLNASA-N 2 0 252.402 1.467 10 0 CDAERP CCC[C@H](C(=O)N1CCC[N@@H+](C2CC2)CC1)[NH+](C)C ZINC000179725982 391365694 /nfs/dbraw/zinc/36/56/94/391365694.db2.gz AXKWGIKRBIMVDY-CQSZACIVSA-N 2 0 267.417 1.413 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)N[C@H]2CC[NH2+]C[C@H]2C)C1 ZINC000418584680 391521154 /nfs/dbraw/zinc/52/11/54/391521154.db2.gz CJWLXQCHSUWKGZ-MCIONIFRSA-N 2 0 282.432 1.109 10 0 CDAERP CN(C(=O)NCCC1=CC[NH2+]CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000418608991 391524778 /nfs/dbraw/zinc/52/47/78/391524778.db2.gz ZSYRZYPVUONAIM-OAHLLOKOSA-N 2 0 292.427 1.174 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000348067618 391589938 /nfs/dbraw/zinc/58/99/38/391589938.db2.gz DIGOYNKSNKFKHY-ZNMIVQPWSA-N 2 0 279.428 1.461 10 0 CDAERP C(C[NH+]1CCCC1)C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000162028619 391615164 /nfs/dbraw/zinc/61/51/64/391615164.db2.gz JBBJAUOBVSVILE-MRXNPFEDSA-N 2 0 281.444 1.126 10 0 CDAERP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000647799553 391661697 /nfs/dbraw/zinc/66/16/97/391661697.db2.gz KGRDFHSSUYDBSA-KJWHEZOQSA-N 2 0 252.402 1.922 10 0 CDAERP COCC1(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)CCC1 ZINC000361328231 391747493 /nfs/dbraw/zinc/74/74/93/391747493.db2.gz JBRGQKGROOYCBZ-UHFFFAOYSA-N 2 0 297.487 1.761 10 0 CDAERP Cn1ncc(Br)c1C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415038319 391733049 /nfs/dbraw/zinc/73/30/49/391733049.db2.gz NATHALJNSBRUMG-DTWKUNHWSA-N 2 0 287.205 1.400 10 0 CDAERP Cc1ccc(C[N@H+](CCOCC[NH3+])CC2CC2)cn1 ZINC000647995229 391738703 /nfs/dbraw/zinc/73/87/03/391738703.db2.gz HIKRGJVMPGCAAC-UHFFFAOYSA-N 2 0 263.385 1.577 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000417706900 391767247 /nfs/dbraw/zinc/76/72/47/391767247.db2.gz UOMKVAHDDHHNHB-RBSFLKMASA-N 2 0 296.459 1.548 10 0 CDAERP CC(=O)CC[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000371344462 391790962 /nfs/dbraw/zinc/79/09/62/391790962.db2.gz LKMPINNVJSFBPP-UHFFFAOYSA-N 2 0 281.444 1.456 10 0 CDAERP C[C@H]([NH3+])c1ccc(NC(=O)COC2(C)C[NH2+]C2)cc1 ZINC000647840221 391827125 /nfs/dbraw/zinc/82/71/25/391827125.db2.gz WCVAKKSNNNORMR-JTQLQIEISA-N 2 0 263.341 1.023 10 0 CDAERP C[NH+]1CCC2(CC1)C[N@H+](CC[C@@H]1CCCCO1)CCO2 ZINC000646105702 392013104 /nfs/dbraw/zinc/01/31/04/392013104.db2.gz DBLDEBXSURXBGU-HNNXBMFYSA-N 2 0 282.428 1.742 10 0 CDAERP CC(C)(C)[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C[C@@H]1O ZINC000262020415 392030140 /nfs/dbraw/zinc/03/01/40/392030140.db2.gz WEGGRCOQFKLMGU-KBPBESRZSA-N 2 0 254.418 1.715 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)NC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000646188400 392140017 /nfs/dbraw/zinc/14/00/17/392140017.db2.gz ZHSKLCLJTRGYMI-IGQOVBAYSA-N 2 0 284.448 1.674 10 0 CDAERP CO[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423069792 392314085 /nfs/dbraw/zinc/31/40/85/392314085.db2.gz MEKUBSVHZRTEGZ-JBLDHEPKSA-N 2 0 251.374 1.923 10 0 CDAERP CCOC(=O)C1([C@H](C)[NH2+]CC[C@@H](C)F)CC[NH2+]CC1 ZINC000423136600 392375785 /nfs/dbraw/zinc/37/57/85/392375785.db2.gz PPLQWHMCHXJIIC-NEPJUHHUSA-N 2 0 274.380 1.646 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+][C@H](C)CCCC[NH3+])[C@H]1n1cccn1 ZINC000423150072 392389943 /nfs/dbraw/zinc/38/99/43/392389943.db2.gz YPTTWLMXMQSUBH-LXTVHRRPSA-N 2 0 280.416 1.709 10 0 CDAERP C[C@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1)C1C[NH2+]C1 ZINC000423179188 392418603 /nfs/dbraw/zinc/41/86/03/392418603.db2.gz JAUDAGGPNZKYQV-FZMZJTMJSA-N 2 0 263.360 1.602 10 0 CDAERP C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1)C1C[NH2+]C1 ZINC000423179190 392419271 /nfs/dbraw/zinc/41/92/71/392419271.db2.gz JAUDAGGPNZKYQV-SMDDNHRTSA-N 2 0 263.360 1.602 10 0 CDAERP O=C(CC[C@H]1CC[NH2+]C1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000645889293 392472499 /nfs/dbraw/zinc/47/24/99/392472499.db2.gz BURGVLOAHZDXPN-LBPRGKRZSA-N 2 0 285.351 1.596 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)CCC[NH+](C)C)[NH+]1CCCCC1 ZINC000540516057 392774543 /nfs/dbraw/zinc/77/45/43/392774543.db2.gz MAZDCFDUHAVWDM-HNNXBMFYSA-N 2 0 283.460 1.907 10 0 CDAERP COC[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268872525 132081248 /nfs/dbraw/zinc/08/12/48/132081248.db2.gz GLJANBQOMIUQIN-UAGQMJEPSA-N 2 0 292.423 1.494 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NCCCC[NH+](C)C2CC2)C1 ZINC000521270825 392953039 /nfs/dbraw/zinc/95/30/39/392953039.db2.gz UXYVGJGNEINIHG-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000252190897 140319034 /nfs/dbraw/zinc/31/90/34/140319034.db2.gz RORGHZFWDQLWAB-ILXRZTDVSA-N 2 0 281.444 1.885 10 0 CDAERP O=C(NCCC[NH+]1CCCC1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000252431482 140319054 /nfs/dbraw/zinc/31/90/54/140319054.db2.gz KAFDYDFRFXAUNF-ZNMIVQPWSA-N 2 0 279.428 1.509 10 0 CDAERP C[C@H](NC(=O)C1C[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261549134 140345269 /nfs/dbraw/zinc/34/52/69/140345269.db2.gz OFUSOYGKPUAHFD-DZGCQCFKSA-N 2 0 287.407 1.233 10 0 CDAERP Cc1ccc(CNC(=O)CN2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261813496 140393345 /nfs/dbraw/zinc/39/33/45/140393345.db2.gz ZZTDQRNVDRLVSO-OAHLLOKOSA-N 2 0 289.423 1.670 10 0 CDAERP C[C@@H]([NH2+]CCOCC[NH+](C)C)C(C)(C)C(F)F ZINC000657987503 413122162 /nfs/dbraw/zinc/12/21/62/413122162.db2.gz PSOFNYJBCADFAP-SNVBAGLBSA-N 2 0 252.349 1.834 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000662566219 413133094 /nfs/dbraw/zinc/13/30/94/413133094.db2.gz ULVPWUJELNYQPD-SOUVJXGZSA-N 2 0 281.444 1.456 10 0 CDAERP Cc1c[nH+]ccc1N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000664195501 413136992 /nfs/dbraw/zinc/13/69/92/413136992.db2.gz MHYRHXUCSPCFGB-AWEZNQCLSA-N 3 0 264.417 1.496 10 0 CDAERP CN(CC1C[NH+](C)C1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000660282510 413143204 /nfs/dbraw/zinc/14/32/04/413143204.db2.gz AIASSFXKODNOOQ-UHFFFAOYSA-N 2 0 296.459 1.499 10 0 CDAERP C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000387567496 397716630 /nfs/dbraw/zinc/71/66/30/397716630.db2.gz LWQLZIYIRDSAGB-NEPJUHHUSA-N 2 0 255.406 1.221 10 0 CDAERP CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)C[NH+](CC)CC ZINC000547475718 397726320 /nfs/dbraw/zinc/72/63/20/397726320.db2.gz GHPSSXREEPICST-AWEZNQCLSA-N 2 0 269.433 1.661 10 0 CDAERP CCc1cc(N[C@H](C)[C@@H](C)[NH3+])nc(-c2ccncc2)n1 ZINC000420255997 397690714 /nfs/dbraw/zinc/69/07/14/397690714.db2.gz CBLUHSUDMOCIRN-GHMZBOCLSA-N 2 0 271.368 1.671 10 0 CDAERP O=C(CN1CCC[C@]2(CC[NH2+]C2)C1)NC(C1CC1)C1CC1 ZINC000420354662 397699894 /nfs/dbraw/zinc/69/98/94/397699894.db2.gz BXZBERQLEZELSC-QGZVFWFLSA-N 2 0 291.439 1.367 10 0 CDAERP O=C1CC[C@@H](C[NH+]2CCC(C[NH+]3CCCC3)CC2)N1 ZINC000649488688 397768011 /nfs/dbraw/zinc/76/80/11/397768011.db2.gz WBQJNZXWYOSNGE-AWEZNQCLSA-N 2 0 265.401 1.073 10 0 CDAERP C[NH+](C)CC[C@H](N)c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000650229425 397797420 /nfs/dbraw/zinc/79/74/20/397797420.db2.gz YUSHWUUVKPAJEW-LBPRGKRZSA-N 2 0 275.356 1.147 10 0 CDAERP COC1(C[C@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)CCC1 ZINC000429518326 292125922 /nfs/dbraw/zinc/12/59/22/292125922.db2.gz LTAUDUMCJJPSSO-HOTGVXAUSA-N 2 0 297.487 1.807 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000651192708 397870045 /nfs/dbraw/zinc/87/00/45/397870045.db2.gz XLSGDIKXAPKONM-OAHLLOKOSA-N 2 0 298.475 1.700 10 0 CDAERP COC1(C[C@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)CCC1 ZINC000429541274 292126279 /nfs/dbraw/zinc/12/62/79/292126279.db2.gz VRKFGJJBHLHXBR-GJZGRUSLSA-N 2 0 283.460 1.560 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)C1CCC([NH3+])CC1 ZINC000041680042 397941372 /nfs/dbraw/zinc/94/13/72/397941372.db2.gz SCMDRIGYPPGGJG-HIFPTAJRSA-N 2 0 255.406 1.350 10 0 CDAERP CC(C)C[N@H+](C)CCCNc1ncnc(N)c1Cl ZINC000651363052 397951989 /nfs/dbraw/zinc/95/19/89/397951989.db2.gz NBURAQSVVUFNKT-UHFFFAOYSA-N 2 0 271.796 1.524 10 0 CDAERP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(C2(O)CC2)CC1 ZINC000649671443 397894758 /nfs/dbraw/zinc/89/47/58/397894758.db2.gz VZFFRCBUEQAWJA-AWEZNQCLSA-N 2 0 252.402 1.708 10 0 CDAERP O[C@H](C[NH2+]CC1CCSCC1)C[NH+]1CCCCC1 ZINC000386391529 398069137 /nfs/dbraw/zinc/06/91/37/398069137.db2.gz VIEFEEONPIZEDH-CQSZACIVSA-N 2 0 272.458 1.566 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000416821485 296583656 /nfs/dbraw/zinc/58/36/56/296583656.db2.gz LXGWJPWHZKUVKR-ZIAGYGMSSA-N 2 0 296.459 1.548 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000418580082 296583432 /nfs/dbraw/zinc/58/34/32/296583432.db2.gz SHAVRJNIYBBJPY-RBSFLKMASA-N 2 0 294.443 1.254 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CCC1CC[NH2+]CC1 ZINC000094447112 147088319 /nfs/dbraw/zinc/08/83/19/147088319.db2.gz YIPMYQBGFDSOON-GDBMZVCRSA-N 2 0 293.455 1.851 10 0 CDAERP CCn1cc([C@@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)cn1 ZINC000658109180 413210120 /nfs/dbraw/zinc/21/01/20/413210120.db2.gz RKKSAGUMFYYVDW-LSDHHAIUSA-N 2 0 295.475 1.826 10 0 CDAERP CCOC(=O)CC1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000262118834 149021987 /nfs/dbraw/zinc/02/19/87/149021987.db2.gz XCJXWSVKWDPXHI-HNNXBMFYSA-N 2 0 268.401 1.651 10 0 CDAERP C[N@H+](Cc1ccccc1)[C@@H](CNC1=[NH+]CCCN1)C1CC1 ZINC000262455434 149065719 /nfs/dbraw/zinc/06/57/19/149065719.db2.gz FGICUOIHLQFHFP-INIZCTEOSA-N 2 0 286.423 1.836 10 0 CDAERP C[C@@H](CCNC(=O)c1cc(C2CC[NH2+]CC2)no1)[NH+](C)C ZINC000662634102 413230673 /nfs/dbraw/zinc/23/06/73/413230673.db2.gz QHXRXZNAXSWILH-NSHDSACASA-N 2 0 294.399 1.212 10 0 CDAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCSC3)cc2)C1 ZINC000658145623 413236271 /nfs/dbraw/zinc/23/62/71/413236271.db2.gz RVGSZXJCFKASGT-CVEARBPZSA-N 2 0 292.448 1.848 10 0 CDAERP [NH3+]C[C@H](NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)C1CCCC1 ZINC000334962758 150123883 /nfs/dbraw/zinc/12/38/83/150123883.db2.gz UTRSOOKZAJTLQW-GOEBONIOSA-N 2 0 294.443 1.289 10 0 CDAERP CN(CC[NH2+]Cc1ccccc1)C(=O)C12CC[NH+](CC1)C2 ZINC001664313358 1172838732 /nfs/dbraw/zinc/83/87/32/1172838732.db2.gz IQPFKEGTMIWIGW-UHFFFAOYSA-N 2 0 287.407 1.330 10 0 CDAERP C[C@@H]1C[C@H](C[NH+]2CCC([N@H+](C)CCCO)CC2)CCO1 ZINC000352619001 155307575 /nfs/dbraw/zinc/30/75/75/155307575.db2.gz XJOQXKKQPNMJTO-HUUCEWRRSA-N 2 0 284.444 1.580 10 0 CDAERP COCC[N@@H+]1CC[C@H](N(CCC[NH3+])c2ccccc2F)C1 ZINC000346362974 153154839 /nfs/dbraw/zinc/15/48/39/153154839.db2.gz MHEZHARWJHINSX-AWEZNQCLSA-N 2 0 295.402 1.702 10 0 CDAERP c1cc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)nc(C2CC2)n1 ZINC000346754612 153294568 /nfs/dbraw/zinc/29/45/68/153294568.db2.gz WQJGOPHMZRVVRP-OLZOCXBDSA-N 2 0 258.369 1.815 10 0 CDAERP C[NH+]1CCC(CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000346881665 153337116 /nfs/dbraw/zinc/33/71/16/153337116.db2.gz OHEUXYOCZGQCTA-UHFFFAOYSA-N 2 0 279.428 1.461 10 0 CDAERP O=C(C[N@@H+]1CCCC2(CC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000352267916 155066055 /nfs/dbraw/zinc/06/60/55/155066055.db2.gz WLYWQHUIEHROEQ-UHFFFAOYSA-N 2 0 291.439 1.605 10 0 CDAERP Cc1nocc1CN(CCC[NH+](C)C)CCC[NH+](C)C ZINC000353493043 155896866 /nfs/dbraw/zinc/89/68/66/155896866.db2.gz REGXCRDXAYOKLK-UHFFFAOYSA-N 2 0 282.432 1.688 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000662693889 413326620 /nfs/dbraw/zinc/32/66/20/413326620.db2.gz MQYJALJXWJVRFN-STQMWFEESA-N 2 0 255.406 1.350 10 0 CDAERP CC(=O)N1CCC([NH2+]C2CC([NH+]3CCCCC3)C2)CC1 ZINC000355604256 157139560 /nfs/dbraw/zinc/13/95/60/157139560.db2.gz ZKRUMJUZXLRTDC-UHFFFAOYSA-N 2 0 279.428 1.604 10 0 CDAERP CCC[N@H+](C)CC(=O)Nc1ccc2nc(C)cn2c1 ZINC000359278863 158195753 /nfs/dbraw/zinc/19/57/53/158195753.db2.gz UAVMYXIVTHOPRP-UHFFFAOYSA-N 2 0 260.341 1.923 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCN(C(=O)CC2([NH3+])CC2)C1 ZINC000662748010 413425914 /nfs/dbraw/zinc/42/59/14/413425914.db2.gz JBJSNAMZQGKUCK-GFCCVEGCSA-N 2 0 253.390 1.058 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662750695 413431971 /nfs/dbraw/zinc/43/19/71/413431971.db2.gz YLWILICLMSNZSY-JHJVBQTASA-N 2 0 271.380 1.149 10 0 CDAERP C[C@H](C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O)c1cccc(Cl)c1 ZINC000263218825 165052935 /nfs/dbraw/zinc/05/29/35/165052935.db2.gz LMLZMUSNHMREBI-MPKXVKKWSA-N 2 0 268.788 1.613 10 0 CDAERP CCC[NH+]1CCN(Cc2ccc(C(N)=[NH2+])cc2F)CC1 ZINC000019515691 170822464 /nfs/dbraw/zinc/82/24/64/170822464.db2.gz ZYULSQHCGCYUEM-UHFFFAOYSA-N 2 0 278.375 1.637 10 0 CDAERP CC[NH+]1CCN([C@@H]2CCc3ccccc3[C@@H]2[NH3+])CC1 ZINC000020260054 171116213 /nfs/dbraw/zinc/11/62/13/171116213.db2.gz JGUWWGISIWAEJN-CVEARBPZSA-N 2 0 259.397 1.639 10 0 CDAERP CCC[NH+]1CCN(C(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000022162200 171364386 /nfs/dbraw/zinc/36/43/86/171364386.db2.gz NWIWSBXJGYSQDX-UHFFFAOYSA-N 2 0 261.369 1.313 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000653210605 412140852 /nfs/dbraw/zinc/14/08/52/412140852.db2.gz BZLURKSBHHFBDT-QGZVFWFLSA-N 2 0 297.402 1.765 10 0 CDAERP CCC[NH2+][C@H](C)C(=O)NCCC[N@H+](C)CC(C)C ZINC000653175986 412116427 /nfs/dbraw/zinc/11/64/27/412116427.db2.gz HNNJMKRHIQTROC-CYBMUJFWSA-N 2 0 257.422 1.469 10 0 CDAERP [NH3+]C1(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)CC2(CCC2)C1 ZINC000662819837 413543975 /nfs/dbraw/zinc/54/39/75/413543975.db2.gz HMFBZJNTCDOCHC-LBPRGKRZSA-N 2 0 277.412 1.439 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)N[C@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC000660838115 413547215 /nfs/dbraw/zinc/54/72/15/413547215.db2.gz RMERUIZVWNISIO-OLZOCXBDSA-N 2 0 282.432 1.253 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)C1CC[NH2+]CC1 ZINC000664721558 413616933 /nfs/dbraw/zinc/61/69/33/413616933.db2.gz SNKDMBRHKWDMMG-UHFFFAOYSA-N 2 0 255.406 1.223 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000654757948 413685508 /nfs/dbraw/zinc/68/55/08/413685508.db2.gz NGDFILHIKJDPMM-LSDHHAIUSA-N 2 0 279.428 1.415 10 0 CDAERP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000659303760 413694404 /nfs/dbraw/zinc/69/44/04/413694404.db2.gz VHXJRYFNCGPXOJ-TYNCELHUSA-N 2 0 273.380 1.417 10 0 CDAERP O=C(C[C@H]1[NH2+]Cc2ccccc21)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000659312946 413705587 /nfs/dbraw/zinc/70/55/87/413705587.db2.gz KDRROYYWNVHJDP-SGMGOOAPSA-N 2 0 277.343 1.037 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)N(CC)[C@@H]1CC[NH+](C)C1 ZINC000664921124 413731231 /nfs/dbraw/zinc/73/12/31/413731231.db2.gz USPSFYRAZXCJEI-HUUCEWRRSA-N 2 0 298.475 1.842 10 0 CDAERP C[C@H]([NH3+])CCC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663003673 413800712 /nfs/dbraw/zinc/80/07/12/413800712.db2.gz MTFPRKCZCVQAKK-JSGCOSHPSA-N 2 0 267.417 1.352 10 0 CDAERP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1c(C2CCC2)cnn1C ZINC000665273611 414005134 /nfs/dbraw/zinc/00/51/34/414005134.db2.gz AEDSDHFJMLRGKA-NILFDRSVSA-N 2 0 292.427 1.530 10 0 CDAERP CC1(C)[C@H]([NH2+]CC23CC(C2)C[NH2+]3)[C@@H]2CCCO[C@@H]21 ZINC000665279087 414014453 /nfs/dbraw/zinc/01/44/53/414014453.db2.gz WLHPETWBDHIYSL-UOQZBTRHSA-N 2 0 250.386 1.532 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000659610263 414015322 /nfs/dbraw/zinc/01/53/22/414015322.db2.gz NKGYATKVAIMWKR-HOCLYGCPSA-N 2 0 294.443 1.256 10 0 CDAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](CO)C1CCC1 ZINC000665234848 413964225 /nfs/dbraw/zinc/96/42/25/413964225.db2.gz KUUXCMZECZVAPN-NHYWBVRUSA-N 2 0 263.385 1.660 10 0 CDAERP [NH3+][C@H]1CCC[C@@H](N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C1 ZINC000665252562 413978476 /nfs/dbraw/zinc/97/84/76/413978476.db2.gz SOBLRJUKXPQGLN-YLFCFFPRSA-N 2 0 273.424 1.992 10 0 CDAERP COC[C@@H](CCC[NH3+])N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665252448 413978896 /nfs/dbraw/zinc/97/88/96/413978896.db2.gz PUIVTGJQALNIAZ-BRWVUGGUSA-N 2 0 291.439 1.476 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)[C@@H]2C[C@H]2C)CC1 ZINC000665289639 414026241 /nfs/dbraw/zinc/02/62/41/414026241.db2.gz SYRCRGPUALTRBQ-UMVBOHGHSA-N 2 0 281.444 1.611 10 0 CDAERP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H]1Cc2ccccc2[C@@H]1C ZINC000661517799 414147945 /nfs/dbraw/zinc/14/79/45/414147945.db2.gz UWPFVMMFOVBEEP-DUVNUKRYSA-N 2 0 262.397 1.617 10 0 CDAERP C[C@H]1C[C@H](C)C[NH+](CCN2CCC([NH+](C)C)CC2)C1 ZINC000659839862 414171949 /nfs/dbraw/zinc/17/19/49/414171949.db2.gz ZBKZZSXWTRORGA-GJZGRUSLSA-N 2 0 267.461 1.990 10 0 CDAERP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CN1C1CC1 ZINC000655806304 414199592 /nfs/dbraw/zinc/19/95/92/414199592.db2.gz URYOGLJHJMAUGY-PWNZVWSESA-N 2 0 251.418 1.541 10 0 CDAERP CC[C@@H](Cn1cncn1)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663463644 414272719 /nfs/dbraw/zinc/27/27/19/414272719.db2.gz APSMRIWBVHYIQT-HOTGVXAUSA-N 2 0 291.443 1.768 10 0 CDAERP C[N@H+](CCO[C@@H]1CC1(F)F)C[C@H]1CCC[NH+](C)C1 ZINC000659947885 414290465 /nfs/dbraw/zinc/29/04/65/414290465.db2.gz NTYBYIGQODEIHJ-NWDGAFQWSA-N 2 0 262.344 1.684 10 0 CDAERP COc1ccc2c(c1)C[C@H]([NH2+]CC13CC(C1)C[NH2+]3)CC2 ZINC000663499043 414298242 /nfs/dbraw/zinc/29/82/42/414298242.db2.gz VPCGNOUHHHCFBV-YAJUMTOWSA-N 2 0 272.392 1.894 10 0 CDAERP CC(C)NC(=O)[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000663502238 414302928 /nfs/dbraw/zinc/30/29/28/414302928.db2.gz GFCHBJYEWIZUPC-RBSFLKMASA-N 2 0 281.444 1.611 10 0 CDAERP O[C@@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)C1CCC1 ZINC000657485194 414380128 /nfs/dbraw/zinc/38/01/28/414380128.db2.gz VMFDXGXMAXKKDE-HNNXBMFYSA-N 2 0 272.352 1.518 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)CC[NH2+]1 ZINC000663514371 414320092 /nfs/dbraw/zinc/32/00/92/414320092.db2.gz QCNVEJDUSTYTKT-OAGGEKHMSA-N 3 0 283.460 1.417 10 0 CDAERP CO[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CCOC1 ZINC000657540026 414425387 /nfs/dbraw/zinc/42/53/87/414425387.db2.gz FXGZJFJOOOKITN-LJISPDSOSA-N 2 0 268.401 1.254 10 0 CDAERP Cn1cncc1CC[N@@H+]1CCOc2ccc(O)cc2C1 ZINC000662092228 414510417 /nfs/dbraw/zinc/51/04/17/414510417.db2.gz IMGDCYUSKRRXTD-UHFFFAOYSA-N 2 0 273.336 1.563 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)[NH+]1CCCCC1 ZINC000038029445 174020483 /nfs/dbraw/zinc/02/04/83/174020483.db2.gz HKLRWISKAAEOHR-UGUYLWEFSA-N 2 0 293.455 1.898 10 0 CDAERP c1csc(N2CC[NH+](CCC3CC[NH2+]CC3)CC2)n1 ZINC000038076078 174086259 /nfs/dbraw/zinc/08/62/59/174086259.db2.gz OVJKDVCWSQCUSU-UHFFFAOYSA-N 2 0 280.441 1.655 10 0 CDAERP CCOC1CCN(C2(C[NH3+])C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000040689098 174375723 /nfs/dbraw/zinc/37/57/23/174375723.db2.gz KEILZSJRHIUNME-MZBDJJRSSA-N 2 0 281.444 1.441 10 0 CDAERP C[C@@H]([NH3+])[C@@H](c1ccccn1)N1CCC([NH+](C)C)CC1 ZINC000043339422 175013712 /nfs/dbraw/zinc/01/37/12/175013712.db2.gz URMGBYWNIWNAHK-DOMZBBRYSA-N 2 0 262.401 1.496 10 0 CDAERP C[C@H]([NH3+])[C@@H](c1ccncc1)N1CCC([NH+](C)C)CC1 ZINC000043353687 175020998 /nfs/dbraw/zinc/02/09/98/175020998.db2.gz AAWGHQRSAUOERA-WFASDCNBSA-N 2 0 262.401 1.496 10 0 CDAERP Cc1cc(C)cc([C@H](C[NH3+])N2CCC[N@@H+](C)CC2)c1 ZINC000043393946 175034658 /nfs/dbraw/zinc/03/46/58/175034658.db2.gz OFKLGUHLRLWWPQ-INIZCTEOSA-N 2 0 261.413 1.941 10 0 CDAERP [NH3+]CC1(N2CCO[C@H]3CCCC[C@H]32)CCOCC1 ZINC000043424831 175040093 /nfs/dbraw/zinc/04/00/93/175040093.db2.gz YTDPQJDSZRZVKY-OLZOCXBDSA-N 2 0 254.374 1.138 10 0 CDAERP CN(C)C(=O)CCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000043454034 175049547 /nfs/dbraw/zinc/04/95/47/175049547.db2.gz XXXWXFKABCZKOM-FUNVUKJBSA-N 2 0 253.390 1.070 10 0 CDAERP C[NH+](C)CCOc1cccc(N2CCC[NH2+]CC2)c1 ZINC000043461620 175052124 /nfs/dbraw/zinc/05/21/24/175052124.db2.gz OONSZSJTSPSQNO-UHFFFAOYSA-N 2 0 263.385 1.427 10 0 CDAERP CCOC(=O)C[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043623144 175080974 /nfs/dbraw/zinc/08/09/74/175080974.db2.gz VSEWNFOTQRZRTR-GFCCVEGCSA-N 2 0 256.390 1.602 10 0 CDAERP CC[NH2+][C@@H]1CCCC[C@@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815363 175112640 /nfs/dbraw/zinc/11/26/40/175112640.db2.gz KWIGTLOPGFABIO-CABCVRRESA-N 2 0 253.434 1.933 10 0 CDAERP CC[NH+]1CCC(C[N@@H+]2CCC[NH2+][C@H](C)CC2)CC1 ZINC000044526835 175192216 /nfs/dbraw/zinc/19/22/16/175192216.db2.gz RWPGNQALKMKHIX-CQSZACIVSA-N 3 0 253.434 1.792 10 0 CDAERP Cc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)c(=O)[nH]1 ZINC000044533037 175196484 /nfs/dbraw/zinc/19/64/84/175196484.db2.gz YNCIYDFJJYCTAU-MFKMUULPSA-N 2 0 278.400 1.379 10 0 CDAERP CCC[NH2+]CC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000044651277 175225033 /nfs/dbraw/zinc/22/50/33/175225033.db2.gz RPTOFZYEPKFBNG-UHFFFAOYSA-N 2 0 255.406 1.411 10 0 CDAERP [NH3+][C@@H](CN[C@@H]1CC[N@@H+](C2CC2)C1)Cc1ccccc1 ZINC000044679389 175228531 /nfs/dbraw/zinc/22/85/31/175228531.db2.gz HXMXJGQJLOIZTF-HUUCEWRRSA-N 2 0 259.397 1.383 10 0 CDAERP CC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]CCOCCOC)C1 ZINC000044694053 175235094 /nfs/dbraw/zinc/23/50/94/175235094.db2.gz OZOVPYWIXZQIBK-KGLIPLIRSA-N 2 0 258.406 1.359 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)C1(C[NH3+])CCCCC1 ZINC000044763842 175247776 /nfs/dbraw/zinc/24/77/76/175247776.db2.gz VADMLMJGQZTOAQ-GFCCVEGCSA-N 2 0 255.406 1.352 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CNCCC[NH+]2CCCC2)C1 ZINC000045134653 175312647 /nfs/dbraw/zinc/31/26/47/175312647.db2.gz BSNSIWAJJHNBOR-HNNXBMFYSA-N 2 0 253.434 1.792 10 0 CDAERP CCC[N@H+](CCCC[C@](C)([NH2+]C)C(N)=O)C(C)C ZINC000045385846 175372361 /nfs/dbraw/zinc/37/23/61/175372361.db2.gz YCQYXRLPLOMGQH-AWEZNQCLSA-N 2 0 257.422 1.741 10 0 CDAERP CCC[NH2+][C@@](C)(CCC[NH+]1CCC(OC)CC1)C(N)=O ZINC000045389183 175374186 /nfs/dbraw/zinc/37/41/86/175374186.db2.gz OADOBMLLNSCVTL-HNNXBMFYSA-N 2 0 285.432 1.121 10 0 CDAERP CCOC(=O)[C@@](C)([NH3+])CCCC[N@H+](C)C1CCOCC1 ZINC000045394925 175376386 /nfs/dbraw/zinc/37/63/86/175376386.db2.gz VPZHMOOIRUWBLT-HNNXBMFYSA-N 2 0 286.416 1.548 10 0 CDAERP CC(C)[C@@H]1C[C@](C[NH3+])(N(C)CCC[NH+](C)C)CCO1 ZINC000070366625 175896649 /nfs/dbraw/zinc/89/66/49/175896649.db2.gz LIKRSISRZXPZBB-LSDHHAIUSA-N 2 0 271.449 1.402 10 0 CDAERP C[NH2+][C@@H]1CCCN(CC[NH+](C(C)C)C(C)C)C1=O ZINC000071036158 176025228 /nfs/dbraw/zinc/02/52/28/176025228.db2.gz HXRXKGLTRITJFJ-CYBMUJFWSA-N 2 0 255.406 1.316 10 0 CDAERP C[C@H]1CCC[C@@H]([NH+]2CCN(C(C)(C)C[NH3+])CC2)C1 ZINC000071147707 176044019 /nfs/dbraw/zinc/04/40/19/176044019.db2.gz GHQGXFUNYYBJBD-UONOGXRCSA-N 2 0 253.434 1.920 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)[C@@H](C[NH3+])c1ccc(F)cc1F ZINC000071188495 176063060 /nfs/dbraw/zinc/06/30/60/176063060.db2.gz AWJCCVRROJIZOW-ABAIWWIYSA-N 2 0 283.366 1.848 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)[C@@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000071188575 176064021 /nfs/dbraw/zinc/06/40/21/176064021.db2.gz JNDWOCUJHFTTGI-OCCSQVGLSA-N 2 0 291.395 1.299 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000071189816 176065328 /nfs/dbraw/zinc/06/53/28/176065328.db2.gz RDFIGPRBQLBBTC-CJNGLKHVSA-N 2 0 275.396 1.271 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)CC[NH2+]C(C)(C)C ZINC000071189757 176065766 /nfs/dbraw/zinc/06/57/66/176065766.db2.gz QPXBOKLMPUGUGC-GFCCVEGCSA-N 2 0 255.406 1.175 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)c1ccc(Cl)c(C[NH3+])n1 ZINC000071191769 176071222 /nfs/dbraw/zinc/07/12/22/176071222.db2.gz IDYPJOUARGQEQL-SNVBAGLBSA-N 2 0 268.792 1.582 10 0 CDAERP C[C@H](CN1CC[C@H]([NH2+]C2CC2)C1)C[NH+]1CCCC1 ZINC000071200145 176077338 /nfs/dbraw/zinc/07/73/38/176077338.db2.gz RQXFJKMOUVDAFE-ZFWWWQNUSA-N 2 0 251.418 1.545 10 0 CDAERP CNC(=O)C1CC[NH+](Cc2ccc(F)cc2C[NH3+])CC1 ZINC000071250650 176094694 /nfs/dbraw/zinc/09/46/94/176094694.db2.gz WIOHTFKTZFFZPV-UHFFFAOYSA-N 2 0 279.359 1.242 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000341470555 287390659 /nfs/dbraw/zinc/39/06/59/287390659.db2.gz YJESVLDDRAMKRY-KFWWJZLASA-N 2 0 296.459 1.643 10 0 CDAERP [NH3+]C[C@H](C(=O)N[C@H](C[NH3+])C1CCCC1)c1ccc(F)cc1 ZINC000417823573 226591961 /nfs/dbraw/zinc/59/19/61/226591961.db2.gz AGIVNWPNVHZUJV-LSDHHAIUSA-N 2 0 293.386 1.502 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000417931949 227220196 /nfs/dbraw/zinc/22/01/96/227220196.db2.gz LSDAPIARHAISDV-ZSVAQUKISA-N 2 0 270.421 1.142 10 0 CDAERP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)Cn1cccn1 ZINC000651866031 423827142 /nfs/dbraw/zinc/82/71/42/423827142.db2.gz QYIDIIZDRJWMTQ-CQSZACIVSA-N 2 0 252.406 1.839 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000659542734 424004833 /nfs/dbraw/zinc/00/48/33/424004833.db2.gz MQIMUFOAVCDAPP-OLZOCXBDSA-N 2 0 270.421 1.177 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000652207013 424032319 /nfs/dbraw/zinc/03/23/19/424032319.db2.gz AMOJGKUSRMKEJZ-CYBMUJFWSA-N 2 0 270.421 1.001 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N[C@H](C[NH3+])CC(C)C ZINC000652208718 424041630 /nfs/dbraw/zinc/04/16/30/424041630.db2.gz NIEARKWIWNUYON-HNNXBMFYSA-N 2 0 292.427 1.579 10 0 CDAERP [NH3+]C1(CNC(=O)NCCC2CC[NH2+]CC2)CCCCCC1 ZINC000652201190 424049946 /nfs/dbraw/zinc/04/99/46/424049946.db2.gz YMWVXWZJWOGCNL-UHFFFAOYSA-N 2 0 296.459 1.727 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000652202875 424054655 /nfs/dbraw/zinc/05/46/55/424054655.db2.gz WUTRKLCLOGXKJE-CABCVRRESA-N 2 0 298.475 1.652 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)NCCC1(C[NH3+])CC1 ZINC000652243690 424127934 /nfs/dbraw/zinc/12/79/34/424127934.db2.gz DPBBAWRFUWXUDL-UHFFFAOYSA-N 2 0 284.448 1.345 10 0 CDAERP CN(CC[NH+]1CCCCC1)C(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000653274639 424226352 /nfs/dbraw/zinc/22/63/52/424226352.db2.gz LFELJNNYAWWTGO-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653055186 424181070 /nfs/dbraw/zinc/18/10/70/424181070.db2.gz UTUUTRZAKQRQTG-RDBSUJKOSA-N 2 0 267.417 1.349 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000662731073 424384616 /nfs/dbraw/zinc/38/46/16/424384616.db2.gz XKBFYYBQDZNODH-MELADBBJSA-N 2 0 269.433 1.502 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000664718680 424325129 /nfs/dbraw/zinc/32/51/29/424325129.db2.gz IAEKIWOCFKYXHQ-CYBMUJFWSA-N 2 0 269.433 1.613 10 0 CDAERP C[NH2+]CCC1CCN(C(=O)c2cc(C(C)(C)[NH3+])no2)CC1 ZINC000662763710 424422707 /nfs/dbraw/zinc/42/27/07/424422707.db2.gz HRXAGMWLQVGNOQ-UHFFFAOYSA-N 2 0 294.399 1.330 10 0 CDAERP O=C(Nc1cnc2c(c1)C[NH2+]CC2)C1([NH2+]C2CC2)CCC1 ZINC000662763947 424423368 /nfs/dbraw/zinc/42/33/68/424423368.db2.gz KVGNTLQREQKIRW-UHFFFAOYSA-N 2 0 286.379 1.341 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000659625116 424435971 /nfs/dbraw/zinc/43/59/71/424435971.db2.gz NEFRPFPRUGDUQI-LSDHHAIUSA-N 2 0 296.459 1.630 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000662851557 424528426 /nfs/dbraw/zinc/52/84/26/424528426.db2.gz BRFOJRUXGDGSMG-AVGNSLFASA-N 2 0 267.417 1.350 10 0 CDAERP CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001667217867 1173247696 /nfs/dbraw/zinc/24/76/96/1173247696.db2.gz VQSNSAFBKNDDPP-CHWSQXEVSA-N 2 0 255.406 1.173 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc(CO)ccc3F)C[C@@H]21 ZINC000530217854 271159751 /nfs/dbraw/zinc/15/97/51/271159751.db2.gz INFOYYXYAAGWIM-DUVNUKRYSA-N 2 0 278.371 1.877 10 0 CDAERP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[C@H]1O ZINC000423166976 274238045 /nfs/dbraw/zinc/23/80/45/274238045.db2.gz ROWSYJSNYMTBFT-SLBVQIDZSA-N 2 0 262.397 1.696 10 0 CDAERP CC[N@H+](CC(=O)N1C[C@@H]2CCC[NH+]2C[C@@H]1C)C1CC1 ZINC000152606708 276312510 /nfs/dbraw/zinc/31/25/10/276312510.db2.gz TZBBUBJKZDPZAP-JSGCOSHPSA-N 2 0 265.401 1.166 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC000347513335 276371959 /nfs/dbraw/zinc/37/19/59/276371959.db2.gz DBMSEQNYBFQZFV-CQSZACIVSA-N 2 0 267.417 1.319 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC2CC[NH+](C3CC3)CC2)C1 ZINC000310754524 276376019 /nfs/dbraw/zinc/37/60/19/276376019.db2.gz KZRRSCZGDKAXFU-AWEZNQCLSA-N 2 0 251.418 1.687 10 0 CDAERP COC(=O)C1(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000450594131 277049516 /nfs/dbraw/zinc/04/95/16/277049516.db2.gz CHEKIJRIAMDNDN-ZFWWWQNUSA-N 2 0 292.423 1.888 10 0 CDAERP COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420375323 277110850 /nfs/dbraw/zinc/11/08/50/277110850.db2.gz PDUBINNMAOKOFE-FQUUOJAGSA-N 2 0 266.385 1.260 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H]2O)[C@H]2CCC[C@@H]21 ZINC000453396570 277171553 /nfs/dbraw/zinc/17/15/53/277171553.db2.gz YLUIIZJTPASSPU-AIEDFZFUSA-N 2 0 252.402 1.610 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1Cc2ccccc2[C@@H]1OC ZINC000423170450 277245793 /nfs/dbraw/zinc/24/57/93/277245793.db2.gz MATPXLDLMSIFIL-BMFZPTHFSA-N 2 0 278.396 1.642 10 0 CDAERP CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000416937780 277385397 /nfs/dbraw/zinc/38/53/97/277385397.db2.gz JPUAUUKACBQNDW-ZFWWWQNUSA-N 2 0 296.459 1.404 10 0 CDAERP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)CC[C@H]1CCCC[NH+]1C ZINC000355609567 278078171 /nfs/dbraw/zinc/07/81/71/278078171.db2.gz CNFXQUNSDSDOFC-RBSFLKMASA-N 2 0 281.444 1.802 10 0 CDAERP C[C@@H](CC(N)=O)[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000267230969 278224059 /nfs/dbraw/zinc/22/40/59/278224059.db2.gz KXMXBOSUPOZSRC-JTQLQIEISA-N 2 0 267.348 1.241 10 0 CDAERP CC1(C)CN(C(=O)NC2CC([NH+]3CCCCC3)C2)CC[NH2+]1 ZINC000334941695 278300536 /nfs/dbraw/zinc/30/05/36/278300536.db2.gz SLRQTIIFNPPHLI-UHFFFAOYSA-N 2 0 294.443 1.397 10 0 CDAERP CC[C@H]([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C(=O)NC ZINC000423164069 288069080 /nfs/dbraw/zinc/06/90/80/288069080.db2.gz NRTRFEFSIBJPPD-IGQOVBAYSA-N 2 0 267.417 1.411 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353690082 279109098 /nfs/dbraw/zinc/10/90/98/279109098.db2.gz RGKCKKQTFNNGMR-GVDBMIGSSA-N 3 0 297.487 1.807 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000233506379 279326603 /nfs/dbraw/zinc/32/66/03/279326603.db2.gz UESGECGYLLDCHV-KBPBESRZSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000418202754 279381210 /nfs/dbraw/zinc/38/12/10/279381210.db2.gz UNZWOBYMJJZBGF-FRRDWIJNSA-N 2 0 270.421 1.012 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417883411 288126655 /nfs/dbraw/zinc/12/66/55/288126655.db2.gz VUSORIYOGPRUPU-KCPJHIHWSA-N 2 0 292.427 1.005 10 0 CDAERP CC[C@@H]([NH3+])C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000130375751 279637949 /nfs/dbraw/zinc/63/79/49/279637949.db2.gz RLXWXOORSRCWON-ZIAGYGMSSA-N 2 0 263.385 1.013 10 0 CDAERP CC[C@H]1CCCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414694384 288187848 /nfs/dbraw/zinc/18/78/48/288187848.db2.gz FWEMTYMQGGKFCH-GJZGRUSLSA-N 2 0 281.444 1.838 10 0 CDAERP CCSCC[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000438001608 280038516 /nfs/dbraw/zinc/03/85/16/280038516.db2.gz RUIPSGGQAKKROC-CYBMUJFWSA-N 2 0 259.463 1.355 10 0 CDAERP CC(C)[C@H](C)NC(=O)C1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000178970587 280214613 /nfs/dbraw/zinc/21/46/13/280214613.db2.gz AWSYJIPJHPBUIM-AWEZNQCLSA-N 2 0 295.471 1.859 10 0 CDAERP C[C@H](O)C[N@@H+]1CCN(CC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000246826023 280305574 /nfs/dbraw/zinc/30/55/74/280305574.db2.gz SIAHTWLLUMDJQJ-HOTGVXAUSA-N 2 0 283.460 1.105 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+]C2CCC(C[NH3+])CC2)[C@@H]1n1cccn1 ZINC000517356270 281000136 /nfs/dbraw/zinc/00/01/36/281000136.db2.gz WLUQQAKIHKLFIP-NEADZQPHSA-N 2 0 292.427 1.709 10 0 CDAERP CC1(C)CN(C(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])CC[C@H]1[NH3+] ZINC000261718943 281193198 /nfs/dbraw/zinc/19/31/98/281193198.db2.gz CFNTWJFHSXUGMX-YWPYICTPSA-N 2 0 267.417 1.480 10 0 CDAERP C[C@@H]1C[NH2+]CCN1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000416434029 288317209 /nfs/dbraw/zinc/31/72/09/288317209.db2.gz SBUKRESIMKEAQR-NEPJUHHUSA-N 2 0 296.440 1.354 10 0 CDAERP CC[C@H](C(=O)N(CC)CC[NH2+]C[C@@H]1CCCOC1)[NH+](C)C ZINC001668619558 1173432648 /nfs/dbraw/zinc/43/26/48/1173432648.db2.gz NENQDJHGHXTEBD-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP CCN(CC[NH2+]Cc1ccccn1)C(=O)C[NH+]1CCCC1 ZINC001668644733 1173436737 /nfs/dbraw/zinc/43/67/37/1173436737.db2.gz GJUDRKWRJRKHHF-UHFFFAOYSA-N 2 0 290.411 1.116 10 0 CDAERP C[NH+](C)C[C@](C)(O)C[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000341402310 289222777 /nfs/dbraw/zinc/22/27/77/289222777.db2.gz LOKXPFACYCHGPX-QKPAOTATSA-N 2 0 284.444 1.484 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)CCN(C)c1cc[nH+]cc1 ZINC000543715079 289610467 /nfs/dbraw/zinc/61/04/67/289610467.db2.gz XNQUZKGWVQUNEW-UHFFFAOYSA-N 2 0 292.427 1.708 10 0 CDAERP C[NH+]1CCN(CCC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000367617500 290042169 /nfs/dbraw/zinc/04/21/69/290042169.db2.gz QJZVFXAFXQHMGI-GVDBMIGSSA-N 3 0 294.487 1.086 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[NH+](C3CCCC3)CC2)C1 ZINC000553144162 290096876 /nfs/dbraw/zinc/09/68/76/290096876.db2.gz YSLKZRJWPDYWFS-HNNXBMFYSA-N 2 0 293.455 1.805 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCN2CCOC(C)(C)C2)[C@@H]2CCC[C@@H]21 ZINC000367587938 290218440 /nfs/dbraw/zinc/21/84/40/290218440.db2.gz KUYFCIWPCRBGKI-JYJNAYRXSA-N 2 0 295.471 1.560 10 0 CDAERP O=C([C@@H]1CCCCC[NH2+]1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000557191587 290334968 /nfs/dbraw/zinc/33/49/68/290334968.db2.gz MHHOCHGZNPNZOA-DZGCQCFKSA-N 2 0 265.401 1.121 10 0 CDAERP CC1(C)CCC[N@H+](CCNC(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000561215280 293064692 /nfs/dbraw/zinc/06/46/92/293064692.db2.gz CQNBFJOWHSHLDB-CQSZACIVSA-N 2 0 296.459 1.550 10 0 CDAERP c1ncn(-c2ccc(C[NH2+]CC[C@H]3CCC[NH2+]3)cc2)n1 ZINC000562745918 293189994 /nfs/dbraw/zinc/18/99/94/293189994.db2.gz CAHHANMTYHVAHY-CQSZACIVSA-N 2 0 271.368 1.499 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CSc2ccccc2O1 ZINC000564988966 293481776 /nfs/dbraw/zinc/48/17/76/293481776.db2.gz HWAGWCPUFITEKT-CHWSQXEVSA-N 2 0 296.436 1.883 10 0 CDAERP C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]C2CCC(C[NH3+])CC2)CC1=O ZINC000567647621 293829528 /nfs/dbraw/zinc/82/95/28/293829528.db2.gz AUCVNRKWDKPEDJ-JKZOPUQSSA-N 2 0 265.401 1.103 10 0 CDAERP C[C@@H](CCCC[NH3+])NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000570841701 294320832 /nfs/dbraw/zinc/32/08/32/294320832.db2.gz LSZXJCGYIZQPNZ-UONOGXRCSA-N 2 0 269.433 1.885 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CNC1(C)CC[NH2+]CC1 ZINC000572850265 294704062 /nfs/dbraw/zinc/70/40/62/294704062.db2.gz LBKIBFRGLLDUPQ-UHFFFAOYSA-N 2 0 285.395 1.807 10 0 CDAERP C[NH2+]C[C@@H]1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000574754529 295049353 /nfs/dbraw/zinc/04/93/53/295049353.db2.gz DIENFRVJYGVXSL-UONOGXRCSA-N 2 0 267.417 1.319 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000262651444 295248044 /nfs/dbraw/zinc/24/80/44/295248044.db2.gz YBBQKPBLKLUTCI-RVMXOQNASA-N 2 0 253.390 1.138 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1CC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000261702360 295298484 /nfs/dbraw/zinc/29/84/84/295298484.db2.gz OKJAEYBBDQJRQI-ARFHVFGLSA-N 2 0 293.455 1.981 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCCCC[N@H+](C)C1CC1 ZINC000418267231 297109010 /nfs/dbraw/zinc/10/90/10/297109010.db2.gz OCVNTCMZOLYXIK-TZMCWYRMSA-N 2 0 282.432 1.158 10 0 CDAERP C[C@@]1(CN2CCCC[C@@H]([NH+]3CCCC3)C2)CC[NH2+]C1 ZINC000262074226 297892675 /nfs/dbraw/zinc/89/26/75/297892675.db2.gz SJQJWVYATKFZIX-HZPDHXFCSA-N 2 0 265.445 1.936 10 0 CDAERP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000335030325 299003121 /nfs/dbraw/zinc/00/31/21/299003121.db2.gz BTDDIIVVNKOYFQ-JOYOIKCWSA-N 2 0 283.322 1.433 10 0 CDAERP O=C(C[NH2+]C1CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000563884966 316389906 /nfs/dbraw/zinc/38/99/06/316389906.db2.gz SIYLDBMQWUQEDO-UHFFFAOYSA-N 2 0 287.407 1.651 10 0 CDAERP C[NH+](C)C1CC([NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000566474589 316607629 /nfs/dbraw/zinc/60/76/29/316607629.db2.gz GQENIDWCAPSQOJ-UHFFFAOYSA-N 2 0 280.441 1.794 10 0 CDAERP CC[N@H+](CCNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)C(C)C ZINC000576373400 317128569 /nfs/dbraw/zinc/12/85/69/317128569.db2.gz JLPPWSSWMOYNFQ-MRXNPFEDSA-N 2 0 296.459 1.502 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC[NH2+]1 ZINC000576517506 317153518 /nfs/dbraw/zinc/15/35/18/317153518.db2.gz OSUDHJNNUFTSOT-XUXIUFHCSA-N 2 0 267.417 1.256 10 0 CDAERP CC(C)CC[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001673898394 1173895441 /nfs/dbraw/zinc/89/54/41/1173895441.db2.gz POYXCGHTHTUDGR-KBPBESRZSA-N 2 0 269.433 1.421 10 0 CDAERP [NH3+]CC12CCC(CC1)CN2C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000582613676 325010298 /nfs/dbraw/zinc/01/02/98/325010298.db2.gz MZYYRNCASIKNCH-UYJPIKCFSA-N 2 0 277.412 1.106 10 0 CDAERP C[C@@H]1CCCC[C@H]1CC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000584168160 327055333 /nfs/dbraw/zinc/05/53/33/327055333.db2.gz UXDYONWVLSZHHU-IKGGRYGDSA-N 2 0 297.487 1.401 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001671369205 1159167385 /nfs/dbraw/zinc/16/73/85/1159167385.db2.gz TUZHMXZSMXIQBJ-CVEARBPZSA-N 2 0 293.455 1.875 10 0 CDAERP C[C@@H](F)CC[NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001268574150 1159978943 /nfs/dbraw/zinc/97/89/43/1159978943.db2.gz SNJINOYSIGKMKV-ISZGNANSSA-N 2 0 299.434 1.871 10 0 CDAERP CC[NH+](CC)CCC[C@@H](C)NC(=O)CC1([NH3+])CC1 ZINC000398031140 482216689 /nfs/dbraw/zinc/21/66/89/482216689.db2.gz CXVQHNCROKUMPN-GFCCVEGCSA-N 2 0 255.406 1.495 10 0 CDAERP C[NH+](C)Cc1cc(CNC(=O)C2([NH+](C)C)CC2)ccc1F ZINC000668797582 482328831 /nfs/dbraw/zinc/32/88/31/482328831.db2.gz CPXFLCQJXZKSCP-UHFFFAOYSA-N 2 0 293.386 1.598 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000088277897 482468237 /nfs/dbraw/zinc/46/82/37/482468237.db2.gz SJXYRFOJLMYAMN-QWHCGFSZSA-N 2 0 255.406 1.208 10 0 CDAERP CCc1ccccc1[C@H]([NH3+])CNC(=O)CC1([NH3+])CCC1 ZINC000669521033 482567343 /nfs/dbraw/zinc/56/73/43/482567343.db2.gz CNELARFBUKQRQD-CQSZACIVSA-N 2 0 275.396 1.637 10 0 CDAERP COC[C@@H](C)C[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000682158229 482614919 /nfs/dbraw/zinc/61/49/19/482614919.db2.gz IZFHLMKEEIDKSV-KBPBESRZSA-N 2 0 269.433 1.027 10 0 CDAERP CC(C)[C@@H](C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)[NH+](C)C ZINC000334207139 482710146 /nfs/dbraw/zinc/71/01/46/482710146.db2.gz DQKANMBMDVIOGZ-ZFWWWQNUSA-N 2 0 267.417 1.175 10 0 CDAERP CO[C@@H]1CCC[C@H]([NH2+]CCCC[NH+]2CCOCC2)C1 ZINC000684370002 482776606 /nfs/dbraw/zinc/77/66/06/482776606.db2.gz HTYDAMKWSFWQKP-LSDHHAIUSA-N 2 0 270.417 1.646 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)NC/C=C/C[NH3+])c1ccc(F)cc1 ZINC000669398675 482844619 /nfs/dbraw/zinc/84/46/19/482844619.db2.gz PVCBHYXPGWSRTR-RDFMZFSFSA-N 2 0 294.374 1.243 10 0 CDAERP C[C@@H]([NH2+][C@H](C)C1(S(C)(=O)=O)CC1)C1CC[NH+](C)CC1 ZINC000671768102 482876117 /nfs/dbraw/zinc/87/61/17/482876117.db2.gz BHKDEPWTZONSJJ-VXGBXAGGSA-N 2 0 288.457 1.272 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)N(CCC[NH3+])CC2CCCC2)C1 ZINC000669403237 482887894 /nfs/dbraw/zinc/88/78/94/482887894.db2.gz PMUBLPYHLSDHAG-OAHLLOKOSA-N 2 0 296.459 1.631 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000261651793 482917346 /nfs/dbraw/zinc/91/73/46/482917346.db2.gz DOTQEPBKFYTDGP-MELADBBJSA-N 2 0 265.401 1.201 10 0 CDAERP Cc1ccc([C@@H](CNC(=O)NC/C=C\C[NH3+])[NH+](C)C)cc1 ZINC000669418904 483022086 /nfs/dbraw/zinc/02/20/86/483022086.db2.gz BSSWPDAMKRNASH-FOSCPCJNSA-N 2 0 290.411 1.412 10 0 CDAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000251658247 483068971 /nfs/dbraw/zinc/06/89/71/483068971.db2.gz GTMUYWIKZSLANU-CWRNSKLLSA-N 2 0 287.407 1.252 10 0 CDAERP c1cc2cc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)ccc2cn1 ZINC000683832935 483122355 /nfs/dbraw/zinc/12/23/55/483122355.db2.gz ZSHMIRCAQFDKSC-HOTGVXAUSA-N 2 0 253.349 1.886 10 0 CDAERP C[NH+](C)C1(CNC(=O)C[C@H]2CC[NH2+]C2)CCCCC1 ZINC000089746457 483129850 /nfs/dbraw/zinc/12/98/50/483129850.db2.gz WHMVALDQWLXQLW-CYBMUJFWSA-N 2 0 267.417 1.367 10 0 CDAERP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@H]1OCCc2ccccc21 ZINC000674882438 483167682 /nfs/dbraw/zinc/16/76/82/483167682.db2.gz MOHGWTOFZRFWAT-DAXOMENPSA-N 2 0 260.381 1.840 10 0 CDAERP Cn1cncc1CCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000314552295 483299711 /nfs/dbraw/zinc/29/97/11/483299711.db2.gz KYAXGAOMZUFHGJ-OKILXGFUSA-N 2 0 262.401 1.284 10 0 CDAERP CN(CCC(=O)NCC[NH+]1CCCC1)c1cc[nH+]cc1 ZINC000679406386 483360160 /nfs/dbraw/zinc/36/01/60/483360160.db2.gz OIMLKVADIXAYAI-UHFFFAOYSA-N 2 0 276.384 1.120 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000136405983 483402307 /nfs/dbraw/zinc/40/23/07/483402307.db2.gz BVBVWDWPHMAQRM-KGLIPLIRSA-N 2 0 267.417 1.447 10 0 CDAERP CC[NH+]1CCC(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667853253 483459709 /nfs/dbraw/zinc/45/97/09/483459709.db2.gz YDLRBIMWPHZBRF-HUUCEWRRSA-N 2 0 252.402 1.875 10 0 CDAERP CC(C)C[NH+]1CCN([C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000055079070 519727572 /nfs/dbraw/zinc/72/75/72/519727572.db2.gz VSRYSVHLGIXNIX-HUUCEWRRSA-N 2 0 253.434 1.920 10 0 CDAERP CC[C@@H](C)C[N@H+](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001483348273 1160910032 /nfs/dbraw/zinc/91/00/32/1160910032.db2.gz WIXKRIDOTLDEIW-ZIAGYGMSSA-N 2 0 283.460 1.953 10 0 CDAERP CC[NH2+]CCC(=O)N1CCC([NH+](CC)CC)CC1 ZINC000061296759 519915607 /nfs/dbraw/zinc/91/56/07/519915607.db2.gz BUOSZHABKVDUAE-UHFFFAOYSA-N 2 0 255.406 1.319 10 0 CDAERP CC[NH2+]CC1(C[N@H+](CCOC)CC(C)C)CCOCC1 ZINC000052182448 519912972 /nfs/dbraw/zinc/91/29/72/519912972.db2.gz JLKBARULLYROAY-UHFFFAOYSA-N 2 0 286.460 1.997 10 0 CDAERP CC[C@@H](F)C[N@H+](C)CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001707419532 1178033801 /nfs/dbraw/zinc/03/38/01/1178033801.db2.gz XFMKPGIXANPEJU-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP CC[NH2+]Cc1ccoc1CN1CCC[C@H]1C[NH+](C)C ZINC000061654464 520010131 /nfs/dbraw/zinc/01/01/31/520010131.db2.gz XRGWZXKOQQJISO-AWEZNQCLSA-N 2 0 265.401 1.915 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001713316718 1178492594 /nfs/dbraw/zinc/49/25/94/1178492594.db2.gz XOKAEAMVERBKCG-CHWSQXEVSA-N 2 0 269.433 1.611 10 0 CDAERP CC[NH+]1CCN([C@H](C[NH3+])c2ccc(F)cc2C)CC1 ZINC000050578232 521694494 /nfs/dbraw/zinc/69/44/94/521694494.db2.gz VAVVHDPMPYRSRB-OAHLLOKOSA-N 2 0 265.376 1.771 10 0 CDAERP CCC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001717668762 1180785126 /nfs/dbraw/zinc/78/51/26/1180785126.db2.gz HEMGOMCZPMDZQZ-MGPQQGTHSA-N 2 0 269.433 1.611 10 0 CDAERP CCc1nc(N2CCC[N@H+](C)CC2)sc1C[NH2+]C ZINC000054968957 522385709 /nfs/dbraw/zinc/38/57/09/522385709.db2.gz ZWFGNPSQAZLCQG-UHFFFAOYSA-N 2 0 268.430 1.567 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC ZINC001725494982 1182023677 /nfs/dbraw/zinc/02/36/77/1182023677.db2.gz ZOFGECRKSRBLDG-OLZOCXBDSA-N 2 0 255.406 1.317 10 0 CDAERP C1C[NH2+][C@@H](C2CC[NH+]([C@@H]3CN4CCC3CC4)CC2)C1 ZINC000063197916 518579647 /nfs/dbraw/zinc/57/96/47/518579647.db2.gz RDENQNUMGDJOSI-HZPDHXFCSA-N 2 0 263.429 1.545 10 0 CDAERP CC(C)(C)[NH+]1CCN([C@@]2(C[NH3+])CCCSC2)CC1 ZINC000061590158 518712389 /nfs/dbraw/zinc/71/23/89/518712389.db2.gz NRXNQSRBFMZXJL-CQSZACIVSA-N 2 0 271.474 1.627 10 0 CDAERP CC(C)CC[C@@](C)(C[NH3+])N1CCN(CC[NH+](C)C)CC1 ZINC000061643178 519687156 /nfs/dbraw/zinc/68/71/56/519687156.db2.gz DQXZHIZOQFCETG-INIZCTEOSA-N 2 0 284.492 1.319 10 0 CDAERP CC(C)C[NH+](CCN1CCC[NH2+]CC1)CC(C)C ZINC000061275190 519717348 /nfs/dbraw/zinc/71/73/48/519717348.db2.gz CPVBRVUCNFXZKM-UHFFFAOYSA-N 2 0 255.450 1.896 10 0 CDAERP CC(C)CN1CC[NH+](CC2CCC([NH3+])CC2)CC1 ZINC000055083720 519725284 /nfs/dbraw/zinc/72/52/84/519725284.db2.gz AUBXUJLVJCYVKM-UHFFFAOYSA-N 2 0 253.434 1.778 10 0 CDAERP CC(C)C[NH+]1CCN([C@H](c2ccncc2)[C@H](C)[NH3+])CC1 ZINC000055077500 519728612 /nfs/dbraw/zinc/72/86/12/519728612.db2.gz RDODXKGOFVOJPM-HOCLYGCPSA-N 2 0 276.428 1.744 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)CN1CCN(CC[NH+](C)C)CC1 ZINC000061655009 519744583 /nfs/dbraw/zinc/74/45/83/519744583.db2.gz XWODQOJJSFOBCG-MRXNPFEDSA-N 2 0 284.492 1.047 10 0 CDAERP CCC[NH+]1CCC(C[NH3+])(N2CCCO[C@@H](C)C2)CC1 ZINC000061916246 519842355 /nfs/dbraw/zinc/84/23/55/519842355.db2.gz IMLWDZHMIBLWSV-AWEZNQCLSA-N 2 0 269.433 1.301 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@H]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000055163208 519846184 /nfs/dbraw/zinc/84/61/84/519846184.db2.gz QFCUYSFNDMXBMM-KGLIPLIRSA-N 2 0 281.444 1.742 10 0 CDAERP CCOCCC[NH2+]C[C@H](C)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055075253 519897030 /nfs/dbraw/zinc/89/70/30/519897030.db2.gz XZTFZFRRKNDXCL-HOTGVXAUSA-N 2 0 285.476 1.807 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000061298224 519905268 /nfs/dbraw/zinc/90/52/68/519905268.db2.gz GOOMZTUZFDLQOV-LBPRGKRZSA-N 2 0 255.406 1.221 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)NCc1ccccc1C[NH+](C)C ZINC000061298840 519905453 /nfs/dbraw/zinc/90/54/53/519905453.db2.gz MGCAXLQFZKQHIW-UHFFFAOYSA-N 2 0 277.412 1.753 10 0 CDAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCn1ccnc1 ZINC000054629766 519908712 /nfs/dbraw/zinc/90/87/12/519908712.db2.gz HMJWEQXLMNIFBB-GOOCMWNKSA-N 2 0 262.401 1.878 10 0 CDAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CN2CCC1CC2 ZINC000054603252 519910612 /nfs/dbraw/zinc/91/06/12/519910612.db2.gz AEQAQZUTHSDIOU-WTXIUTQJSA-N 2 0 263.429 1.686 10 0 CDAERP CCC[NH2+]C[C@]1(C[NH+]2CCC(C[NH+](C)C)CC2)CCOC1 ZINC000051252189 519940130 /nfs/dbraw/zinc/94/01/30/519940130.db2.gz ORLHBDIFEVIQOV-KRWDZBQOSA-N 3 0 297.487 1.666 10 0 CDAERP CCC[NH2+]Cc1ccccc1CN1CC[NH+](C)CC1 ZINC000052379580 519956527 /nfs/dbraw/zinc/95/65/27/519956527.db2.gz GMVKADUPPVFGQT-UHFFFAOYSA-N 2 0 261.413 1.934 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000061265943 519960171 /nfs/dbraw/zinc/96/01/71/519960171.db2.gz PJRHYZQKRIPVLC-KBPBESRZSA-N 2 0 267.417 1.319 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000061266053 519960430 /nfs/dbraw/zinc/96/04/30/519960430.db2.gz FBIYPNZDJIAHAN-LBPRGKRZSA-N 2 0 255.406 1.032 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@H](C[N@H+](CCOC)C2CC2)O1 ZINC000052542511 519979017 /nfs/dbraw/zinc/97/90/17/519979017.db2.gz FYDJOODULWVYSV-ZIAGYGMSSA-N 2 0 256.390 1.254 10 0 CDAERP CC[NH+](CC)CCN1CCC(C[NH+]2CCOCC2)CC1 ZINC000157947212 520662806 /nfs/dbraw/zinc/66/28/06/520662806.db2.gz JZPWKNMLMHUMFB-UHFFFAOYSA-N 2 0 283.460 1.372 10 0 CDAERP CCC(CC)(C[NH2+]C)CN1CCN(CC[NH+](C)C)CC1 ZINC000061653764 521439578 /nfs/dbraw/zinc/43/95/78/521439578.db2.gz NCLFWNWQKNCAPO-UHFFFAOYSA-N 2 0 284.492 1.191 10 0 CDAERP CC[NH+]1CCC(C[N@H+]2[C@@H]3CC[C@H]2CC([NH2+]C)C3)CC1 ZINC000054629496 521549220 /nfs/dbraw/zinc/54/92/20/521549220.db2.gz PRZXLKLSAFTLTQ-MQVJKMGUSA-N 3 0 265.445 1.933 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@H]2CC[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000055140084 521550915 /nfs/dbraw/zinc/55/09/15/521550915.db2.gz QNZHMSXNIFZEFA-QEJZJMRPSA-N 2 0 281.444 1.598 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)[C@](C)([NH3+])c2ccccc2)CC1 ZINC000052881671 521555948 /nfs/dbraw/zinc/55/59/48/521555948.db2.gz PYXKPQJMRTWFTN-QGZVFWFLSA-N 2 0 289.423 1.803 10 0 CDAERP CCOC1CC[NH+](C[C@H]2CC[C@@H](C[NH2+]C3CC3)O2)CC1 ZINC000052484094 521655665 /nfs/dbraw/zinc/65/56/65/521655665.db2.gz PXYKSDBVDWMLNV-JKSUJKDBSA-N 2 0 282.428 1.787 10 0 CDAERP CCC1(C(=O)N[C@H](C)CC[NH+](C)C)CC[NH2+]CC1 ZINC000062849981 521670377 /nfs/dbraw/zinc/67/03/77/521670377.db2.gz AXHVGUJBIINTHP-GFCCVEGCSA-N 2 0 255.406 1.223 10 0 CDAERP C[NH+](C)CCN1CCN([C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000061643933 521767103 /nfs/dbraw/zinc/76/71/03/521767103.db2.gz YFMQTNRBCGDCHB-HOTGVXAUSA-N 2 0 282.476 1.216 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000061644046 521831331 /nfs/dbraw/zinc/83/13/31/521831331.db2.gz WZWLGBLPZUXPOV-GJZGRUSLSA-N 2 0 275.396 1.282 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H](C[NH3+])Cc1ccccc1 ZINC000061644085 521832375 /nfs/dbraw/zinc/83/23/75/521832375.db2.gz GPLFMCOKSVZSQU-CVEARBPZSA-N 2 0 289.423 1.357 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)C1(C[NH3+])CCCCC1 ZINC000061644055 521861861 /nfs/dbraw/zinc/86/18/61/521861861.db2.gz SLADOWKJXHQLTD-CYBMUJFWSA-N 2 0 267.417 1.448 10 0 CDAERP C[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2cccs2)O1 ZINC000052456345 522093029 /nfs/dbraw/zinc/09/30/29/522093029.db2.gz AHPKPXVXJVWQLL-NEPJUHHUSA-N 2 0 254.399 1.947 10 0 CDAERP C[NH+](C)[C@H]1CCN(CC2(C[NH2+]C3CC3)CCOCC2)C1 ZINC000062970044 522104970 /nfs/dbraw/zinc/10/49/70/522104970.db2.gz PDRCEUGDARXDCV-HNNXBMFYSA-N 2 0 281.444 1.171 10 0 CDAERP C[NH2+]Cc1cc(COCC[NH+]2CCCC2)oc1C ZINC000052670178 522112173 /nfs/dbraw/zinc/11/21/73/522112173.db2.gz WHXIJEQDJZVCMV-UHFFFAOYSA-N 2 0 252.358 1.920 10 0 CDAERP C[NH2+]Cc1ccoc1CN(C)C1CC[NH+](C)CC1 ZINC000052419813 522139700 /nfs/dbraw/zinc/13/97/00/522139700.db2.gz HEKSAYHMLVIQDR-UHFFFAOYSA-N 2 0 251.374 1.525 10 0 CDAERP C[NH2+]Cc1cnc(N2CCC[C@H]2C[NH+](C)C)s1 ZINC000061655447 522145368 /nfs/dbraw/zinc/14/53/68/522145368.db2.gz UXUIEGSXYSRPEY-JTQLQIEISA-N 2 0 254.403 1.393 10 0 CDAERP C[NH2+][C@H]1CCCC[C@@H]1N1CC[NH+](CC(C)C)CC1 ZINC000055079247 522491052 /nfs/dbraw/zinc/49/10/52/522491052.db2.gz ZIOOSNRMUNKHJQ-GJZGRUSLSA-N 2 0 253.434 1.791 10 0 CDAERP CN(CC[NH+]1CCCC1)C[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000063054386 522830117 /nfs/dbraw/zinc/83/01/17/522830117.db2.gz BYBSXRVORPPYNA-JYJNAYRXSA-N 2 0 265.445 1.935 10 0 CDAERP COCC[N@H+](Cc1cc(C[NH3+])co1)[C@@H](C)COC ZINC000052572384 523740667 /nfs/dbraw/zinc/74/06/67/523740667.db2.gz ZWTGFRSVLGPAHZ-NSHDSACASA-N 2 0 256.346 1.222 10 0 CDAERP COCC[N@H+](Cc1cccnc1C[NH3+])[C@H](C)COC ZINC000061656824 523763074 /nfs/dbraw/zinc/76/30/74/523763074.db2.gz SOTZQETVMRTZRR-GFCCVEGCSA-N 2 0 267.373 1.024 10 0 CDAERP CN(C(=O)[C@@H](C[NH3+])c1ccccc1)[C@H]1CCC[N@H+](C)C1 ZINC000061613430 523891902 /nfs/dbraw/zinc/89/19/02/523891902.db2.gz YODZECOYQRBZLH-GJZGRUSLSA-N 2 0 275.396 1.282 10 0 CDAERP C[NH+](C)C1CCN([C@H](C[NH3+])CCc2ccccc2)CC1 ZINC000061624692 524041025 /nfs/dbraw/zinc/04/10/25/524041025.db2.gz IJJHYRPLPWEGTQ-KRWDZBQOSA-N 2 0 275.440 1.973 10 0 CDAERP CNC(=O)C1CC[NH+](Cc2cc(F)ccc2C[NH3+])CC1 ZINC000069401228 524049129 /nfs/dbraw/zinc/04/91/29/524049129.db2.gz GURNPKWUJSAOJZ-UHFFFAOYSA-N 2 0 279.359 1.242 10 0 CDAERP C[NH+](C)CC1CCN(C(=O)[C@H]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000055161515 524049167 /nfs/dbraw/zinc/04/91/67/524049167.db2.gz XABSWTNSOBORCC-CABCVRRESA-N 2 0 281.444 1.552 10 0 CDAERP C[NH+](C)CC1CC[NH+](C[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000070257413 524049663 /nfs/dbraw/zinc/04/96/63/524049663.db2.gz DJMZPMHQQFDQLS-OAHLLOKOSA-N 3 0 265.445 1.650 10 0 CDAERP C[C@@H]1CCC[C@@H](C(=O)N2CC[NH+](C3CCCC3)CC2)[C@@H]1[NH3+] ZINC000055132625 524265816 /nfs/dbraw/zinc/26/58/16/524265816.db2.gz IYHLCHTVZSGOEM-FVQBIDKESA-N 2 0 293.455 1.837 10 0 CDAERP C[C@H](C[NH+]1CCCC1)NC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000052882858 524314129 /nfs/dbraw/zinc/31/41/29/524314129.db2.gz BONWDIUWPLGMMH-CJNGLKHVSA-N 2 0 275.396 1.461 10 0 CDAERP C[C@H](C[NH+]1CCCC1)NC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000061612846 524314860 /nfs/dbraw/zinc/31/48/60/524314860.db2.gz WHUOTXIOKKOGCK-HIFRSBDPSA-N 2 0 275.396 1.329 10 0 CDAERP C[C@@H]1CCC[C@H](C(=O)NCCC[NH+]2CCCC2)[NH2+]1 ZINC000062080868 524346621 /nfs/dbraw/zinc/34/66/21/524346621.db2.gz IGRWBUPICAECLO-CHWSQXEVSA-N 2 0 253.390 1.119 10 0 CDAERP C[C@@H](CC[NH+](C)C)[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000049557267 524474508 /nfs/dbraw/zinc/47/45/08/524474508.db2.gz VLCJWAGYIFWQSU-SMDDNHRTSA-N 2 0 254.349 1.789 10 0 CDAERP C[C@@H](C[NH+]1CCCC1)NC(=O)C1CCC([NH3+])CC1 ZINC000049184804 524590771 /nfs/dbraw/zinc/59/07/71/524590771.db2.gz FIKVFUOYNDRZBK-HIFPTAJRSA-N 2 0 253.390 1.104 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCC(C)(C)C[NH+](C)C)CC[NH2+]1 ZINC000235632537 524766392 /nfs/dbraw/zinc/76/63/92/524766392.db2.gz GGXOZTOWTQFEDS-RYUDHWBXSA-N 2 0 255.406 1.079 10 0 CDAERP C[C@H]1C[C@H](C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)CC[C@@H]1[NH3+] ZINC000055131522 524866401 /nfs/dbraw/zinc/86/64/01/524866401.db2.gz FTIUWLLBPYIVKI-DGAVXFQQSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCC[C@@H]1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000055132614 525086851 /nfs/dbraw/zinc/08/68/51/525086851.db2.gz MERIHJNVIHVIFJ-KBMXLJTQSA-N 2 0 293.455 1.837 10 0 CDAERP C[C@H](NCC[NH+]1CCCCC1)[C@@H]1CCC[N@H+](C)C1 ZINC000049574781 525349165 /nfs/dbraw/zinc/34/91/65/525349165.db2.gz JSTHZWRVAZOIKM-LSDHHAIUSA-N 2 0 253.434 1.792 10 0 CDAERP O=C(CC[C@@H]1CCCC[NH2+]1)NCCC[NH+]1CCCC1 ZINC000050941343 526547106 /nfs/dbraw/zinc/54/71/06/526547106.db2.gz FSTSGLKMIMPIQG-AWEZNQCLSA-N 2 0 267.417 1.511 10 0 CDAERP NC(=[NH2+])c1ncccc1C[N@@H+]1CCCC[C@@H]1CCO ZINC000061657843 526824102 /nfs/dbraw/zinc/82/41/02/526824102.db2.gz AFKJLAZLEDUMSX-GFCCVEGCSA-N 2 0 262.357 1.103 10 0 CDAERP [NH2+]=C(NC1CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000052038520 526826862 /nfs/dbraw/zinc/82/68/62/526826862.db2.gz ORAOFBPTLWVRGR-UHFFFAOYSA-N 2 0 250.390 1.623 10 0 CDAERP [NH3+]C1CCC(CC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]23)CC1 ZINC000055139246 527139519 /nfs/dbraw/zinc/13/95/19/527139519.db2.gz ASLBCPCRRQFMIF-HOAMVYINSA-N 2 0 265.401 1.247 10 0 CDAERP [NH3+]C1CCC(NC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000051694802 527139977 /nfs/dbraw/zinc/13/99/77/527139977.db2.gz SMHFMGOSEUIVAW-UUFIZFKYSA-N 2 0 265.401 1.293 10 0 CDAERP [NH3+]CC1(C[N@H+](CCO)Cc2ccccc2)CCOCC1 ZINC000052182092 527162842 /nfs/dbraw/zinc/16/28/42/527162842.db2.gz HVWAEVDLCNUVQT-UHFFFAOYSA-N 2 0 278.396 1.236 10 0 CDAERP [NH3+]CCCN1CCC[N@H+](CCCOCC(F)(F)F)CC1 ZINC000049312085 527179764 /nfs/dbraw/zinc/17/97/64/527179764.db2.gz ZIQYAQUQCFGSIU-UHFFFAOYSA-N 2 0 297.365 1.312 10 0 CDAERP [NH3+]Cc1nccnc1O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000061702146 527267532 /nfs/dbraw/zinc/26/75/32/527267532.db2.gz YIFQCSVPERRVNF-AWEZNQCLSA-N 2 0 284.363 1.589 10 0 CDAERP [NH3+][C@@H]1CCCCC[C@H]1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062967567 527341490 /nfs/dbraw/zinc/34/14/90/527341490.db2.gz ZJNOOTWFQGXDBS-RRFJBIMHSA-N 2 0 251.418 1.817 10 0 CDAERP Nc1cc(N)[nH+]c(SCCC[C@H]2CCC[NH2+]2)n1 ZINC000052783007 527456080 /nfs/dbraw/zinc/45/60/80/527456080.db2.gz JTHOONUSBHQRDI-MRVPVSSYSA-N 2 0 253.375 1.265 10 0 CDAERP CC[NH+](CC)[C@H](CNC(=O)CC[C@H](C)[NH3+])CC(C)C ZINC000193294837 535671060 /nfs/dbraw/zinc/67/10/60/535671060.db2.gz HCVUDNIZLZGVRY-KBPBESRZSA-N 2 0 271.449 1.987 10 0 CDAERP CCC[NH+]1CCC(CNC(=S)NCC[NH+](C)C)CC1 ZINC000748599967 574522021 /nfs/dbraw/zinc/52/20/21/574522021.db2.gz XKDMTAGEUDQTRU-UHFFFAOYSA-N 2 0 286.489 1.134 10 0 CDAERP CN(C(=S)NC1CC[NH+](C)CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000731951778 575073563 /nfs/dbraw/zinc/07/35/63/575073563.db2.gz KEWAPRFSROYTTB-AWEZNQCLSA-N 2 0 296.484 1.124 10 0 CDAERP CCOCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001688876713 1175052056 /nfs/dbraw/zinc/05/20/56/1175052056.db2.gz DBAPTHJXINNAKA-LSDHHAIUSA-N 2 0 297.443 1.040 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H](C)COC ZINC001689933024 1175314838 /nfs/dbraw/zinc/31/48/38/1175314838.db2.gz XRXBUMNUAPNWAO-RRFJBIMHSA-N 2 0 299.459 1.190 10 0 CDAERP CCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001690226284 1175408165 /nfs/dbraw/zinc/40/81/65/1175408165.db2.gz HXZAWASHBZKRFC-JKSUJKDBSA-N 2 0 293.455 1.709 10 0 CDAERP Cn1nccc1CC[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000872145204 620694934 /nfs/dbraw/zinc/69/49/34/620694934.db2.gz NOOQPCWECQIANB-OAHLLOKOSA-N 2 0 264.417 1.660 10 0 CDAERP C[NH+]1CCN(CCC[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925521376 617433782 /nfs/dbraw/zinc/43/37/82/617433782.db2.gz UGJSPTAKZCCBLZ-LSDHHAIUSA-N 3 0 282.476 1.120 10 0 CDAERP CC[C@@H](CCO)C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925539494 617478620 /nfs/dbraw/zinc/47/86/20/617478620.db2.gz JGOAWBGNEDZSBN-CRWXNKLISA-N 2 0 254.418 1.761 10 0 CDAERP CC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)C(=O)N1CCOCC1 ZINC000925542960 617486995 /nfs/dbraw/zinc/48/69/95/617486995.db2.gz SAMDQUSHLUHCCL-RDBSUJKOSA-N 2 0 297.443 1.119 10 0 CDAERP COC1CC[NH+](C(C)(C)CN[C@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000925559356 617510307 /nfs/dbraw/zinc/51/03/07/617510307.db2.gz XTGNKQMKTYCSRG-CABCVRRESA-N 2 0 295.471 1.735 10 0 CDAERP COC1CC[NH+](C(C)(C)CN[C@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925559360 617510327 /nfs/dbraw/zinc/51/03/27/617510327.db2.gz XTGNKQMKTYCSRG-GJZGRUSLSA-N 2 0 295.471 1.735 10 0 CDAERP Cc1nn(C)c(C)c1CCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925632730 617579232 /nfs/dbraw/zinc/57/92/32/617579232.db2.gz YAAXJRFSKWBVLU-XSIBGMEISA-N 2 0 288.439 1.556 10 0 CDAERP CC[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)[C@@H]1CCOC1 ZINC000925842560 617874641 /nfs/dbraw/zinc/87/46/41/617874641.db2.gz AIRWCBAHOHMTMT-HZPDHXFCSA-N 2 0 283.460 1.467 10 0 CDAERP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3C[C@H]4CCC[C@@H]4O3)C[C@]2(C)C1 ZINC000933733325 617598857 /nfs/dbraw/zinc/59/88/57/617598857.db2.gz CHTWZDFSWADWDM-OWYFMNJBSA-N 2 0 264.413 1.828 10 0 CDAERP CC[C@H]([NH2+]CCOCC[NH+](C)C)c1cccc(OC)n1 ZINC000926255445 617639944 /nfs/dbraw/zinc/63/99/44/617639944.db2.gz RAMROVKJJDQVHS-ZDUSSCGKSA-N 2 0 281.400 1.709 10 0 CDAERP CC1(C)[C@H](NC[C@H]2CCCC[NH2+]2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925690823 617695026 /nfs/dbraw/zinc/69/50/26/617695026.db2.gz HTTKTKHUJBGZKA-YIYPIFLZSA-N 2 0 251.418 1.495 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)C1CC[NH+](C)CC1 ZINC000925785506 617708421 /nfs/dbraw/zinc/70/84/21/617708421.db2.gz UTCNINKLTSFQGU-AAEUAGOBSA-N 3 0 275.387 1.551 10 0 CDAERP CS(=O)(=O)C1CCC(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000925803068 617738777 /nfs/dbraw/zinc/73/87/77/617738777.db2.gz VCGZBGNUOMPBQL-GNRIBBGQSA-N 2 0 288.457 1.307 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@H]2CCc3c2c(F)ccc3F)CC1 ZINC000925814163 617760091 /nfs/dbraw/zinc/76/00/91/617760091.db2.gz HGWUKQLTRCEHFL-HNNXBMFYSA-N 2 0 295.377 1.965 10 0 CDAERP CC(C)C[N@H+](C)CCCN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925708159 617797607 /nfs/dbraw/zinc/79/76/07/617797607.db2.gz GBYCJQFQEJXNHI-RFBLXINOSA-N 2 0 265.445 1.550 10 0 CDAERP CO[C@H](C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)[C@@H]1CCOC1 ZINC000925714741 617827252 /nfs/dbraw/zinc/82/72/52/617827252.db2.gz VXRQXSCHWOTCHH-ZSAUSMIDSA-N 2 0 282.428 1.404 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC2(C3(O)CCOCC3)CC2)C1 ZINC000925827501 617840316 /nfs/dbraw/zinc/84/03/16/617840316.db2.gz UVQBGSQMHWHIIU-CHWSQXEVSA-N 2 0 268.401 1.168 10 0 CDAERP C[C@H]([NH2+]CC[C@@H]1CC[C@@H](C(F)(F)F)O1)C1C[NH2+]C1 ZINC000925828157 617842236 /nfs/dbraw/zinc/84/22/36/617842236.db2.gz DQKYCEHNPLVCHA-LSJOCFKGSA-N 2 0 266.307 1.684 10 0 CDAERP O=C1C[C@H](CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CN1 ZINC000925841232 617872792 /nfs/dbraw/zinc/87/27/92/617872792.db2.gz ZSCRMUKIWFUUBB-DGAVXFQQSA-N 2 0 265.401 1.023 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CCCCCN2CC[NH2+]CC2)[C@H](C)O1 ZINC000925847632 617883303 /nfs/dbraw/zinc/88/33/03/617883303.db2.gz SSVWGHPSLLJWBZ-QLFBSQMISA-N 2 0 269.433 1.217 10 0 CDAERP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@H]2CCn3ccnc32)C1 ZINC000925882820 617969227 /nfs/dbraw/zinc/96/92/27/617969227.db2.gz VBBXXWXMIZHRCF-YQQAZPJKSA-N 2 0 282.391 1.977 10 0 CDAERP C([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)[C@@H]1C[C@H]1C1CCOCC1 ZINC000925734445 618053653 /nfs/dbraw/zinc/05/36/53/618053653.db2.gz PSZOHTGBYYZVCP-OGEQHFGCSA-N 2 0 276.424 1.635 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@](C)(O)c1ccccc1 ZINC000925069043 618857976 /nfs/dbraw/zinc/85/79/76/618857976.db2.gz UYZCYJOHACRESD-BBJBPXSTSA-N 2 0 274.408 1.824 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000925318320 621058453 /nfs/dbraw/zinc/05/84/53/621058453.db2.gz GLZSFRAHHPERJX-UONOGXRCSA-N 2 0 284.448 1.308 10 0 CDAERP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CC[NH+](C)[C@H]1C ZINC000925321706 621533092 /nfs/dbraw/zinc/53/30/92/621533092.db2.gz APIVMLOLVRSUCI-MJBXVCDLSA-N 2 0 282.432 1.061 10 0 CDAERP CC(C)[C@H](C[NH2+][C@H](C)C(C)(C)CO)N1CC[NH+](C)CC1 ZINC000924631706 621611065 /nfs/dbraw/zinc/61/10/65/621611065.db2.gz OJFQUZYDAKYOGS-CABCVRRESA-N 2 0 285.476 1.255 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C12CC[NH+](CC1)C2 ZINC000900343163 622917813 /nfs/dbraw/zinc/91/78/13/622917813.db2.gz ASEYVVOFRMWLGH-KGLIPLIRSA-N 2 0 279.428 1.319 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)C1CC1 ZINC000900367636 622929377 /nfs/dbraw/zinc/92/93/77/622929377.db2.gz SHPBQRUPOPIEEO-KGLIPLIRSA-N 2 0 265.401 1.214 10 0 CDAERP C[NH+]1CCN(CCC[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)CC1 ZINC000902730711 625278582 /nfs/dbraw/zinc/27/85/82/625278582.db2.gz SCOIHHOYPIKWFO-MUJYYYPQSA-N 2 0 265.445 1.792 10 0 CDAERP CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903434329 625991074 /nfs/dbraw/zinc/99/10/74/625991074.db2.gz CFUTWWJTROAWTM-QXSJWSMHSA-N 2 0 295.471 1.859 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000903459319 625995070 /nfs/dbraw/zinc/99/50/70/625995070.db2.gz GRXSNJQPQPBEHH-LNFKQOIKSA-N 2 0 266.307 1.956 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H]2C(=O)Nc2nccs2)C1 ZINC000903442428 625997251 /nfs/dbraw/zinc/99/72/51/625997251.db2.gz PXCYTDMSYXAUAM-QJPTWQEYSA-N 2 0 294.424 1.673 10 0 CDAERP CC[NH+](CC)CCN(CCOC)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903443478 625997495 /nfs/dbraw/zinc/99/74/95/625997495.db2.gz DGSCURLMMYUDHJ-CABCVRRESA-N 2 0 271.449 1.132 10 0 CDAERP COC[C@H](C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)C(C)C ZINC000903453964 626001488 /nfs/dbraw/zinc/00/14/88/626001488.db2.gz QGKKBZKSOHKYTB-LSDHHAIUSA-N 2 0 254.418 1.981 10 0 CDAERP COC[C@@H](C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)C(C)C ZINC000903453963 626001497 /nfs/dbraw/zinc/00/14/97/626001497.db2.gz QGKKBZKSOHKYTB-HUUCEWRRSA-N 2 0 254.418 1.981 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ccccc1F)C2 ZINC000903491039 626010487 /nfs/dbraw/zinc/01/04/87/626010487.db2.gz RYZDHBNEMCFUDH-ZENOOKHLSA-N 2 0 292.354 1.538 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1c(C)noc1C)C2 ZINC000903491787 626010873 /nfs/dbraw/zinc/01/08/73/626010873.db2.gz AWGBXENGIFTPEE-ZOWXZIJZSA-N 2 0 293.367 1.004 10 0 CDAERP C(OC1CC[NH+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1)C1CC1 ZINC000903733655 626075040 /nfs/dbraw/zinc/07/50/40/626075040.db2.gz LYVCSNUDCAQSDS-DLBZAZTESA-N 2 0 294.439 1.646 10 0 CDAERP C([NH2+][C@H]1CCCC12CCOCC2)[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903757327 626088280 /nfs/dbraw/zinc/08/82/80/626088280.db2.gz CHADRSHSCCMABS-OWCLPIDISA-N 2 0 294.439 1.694 10 0 CDAERP C([C@@H]1CC2(CO1)CC[NH2+]CC2)[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000903777997 626090670 /nfs/dbraw/zinc/09/06/70/626090670.db2.gz HYPBHDFYTYYWBH-ZNMIVQPWSA-N 2 0 296.480 1.830 10 0 CDAERP O=C1CCCN1C1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903891276 626124826 /nfs/dbraw/zinc/12/48/26/626124826.db2.gz KYOICPZOOAQTKV-GOOCMWNKSA-N 2 0 291.439 1.604 10 0 CDAERP CCC(C)(C)[N@H+](C)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903892864 626134826 /nfs/dbraw/zinc/13/48/26/626134826.db2.gz NOPHDTHIDCKNEG-ZDUSSCGKSA-N 2 0 266.433 1.966 10 0 CDAERP COC(=O)CCC(C)(C)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903905463 626140558 /nfs/dbraw/zinc/14/05/58/626140558.db2.gz GMTPFOJNOBVARC-YHWZYXNKSA-N 2 0 268.401 1.838 10 0 CDAERP NC[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCC1 ZINC000903918599 626145854 /nfs/dbraw/zinc/14/58/54/626145854.db2.gz CJVHRPLTHSVQTI-CHEQUFIKSA-N 2 0 251.418 1.624 10 0 CDAERP c1nnn([C@H]2CCC[NH2+]C2)c1C[NH2+]C1CCC=CCC1 ZINC000903959140 626159010 /nfs/dbraw/zinc/15/90/10/626159010.db2.gz BHJOXRKCJPDVIK-AWEZNQCLSA-N 2 0 275.400 1.791 10 0 CDAERP COC[C@@H]([NH2+]C1CCC([NH3+])CC1)[C@H]1CCCOC1 ZINC000903959697 626159666 /nfs/dbraw/zinc/15/96/66/626159666.db2.gz MNNRZBLYFFBNAH-GFJIZPEISA-N 2 0 256.390 1.288 10 0 CDAERP C[C@@H](C[C@@H]1CCC[NH2+]1)N1CCc2sc(C[NH3+])nc2C1 ZINC000903945165 626162780 /nfs/dbraw/zinc/16/27/80/626162780.db2.gz ROLRXFVUJMPNLB-QWRGUYRKSA-N 2 0 280.441 1.491 10 0 CDAERP FC1(F)CC[NH2+]C[C@H]1C[NH2+]C1Cc2ccccc2C1 ZINC000903956392 626167483 /nfs/dbraw/zinc/16/74/83/626167483.db2.gz KOFJCNMWVJGCKF-ZDUSSCGKSA-N 2 0 266.335 1.988 10 0 CDAERP CCC[C@H](C)C[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903976795 626169625 /nfs/dbraw/zinc/16/96/25/626169625.db2.gz ATUMLNNZLKODOI-XPCVCDNBSA-N 2 0 268.401 1.635 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903983892 626173690 /nfs/dbraw/zinc/17/36/90/626173690.db2.gz NCYAXXLHGBFGGM-DCAQKATOSA-N 2 0 267.339 1.571 10 0 CDAERP c1ccc2c(CN3CC[NH2+]CC[NH2+]CC3)ccnc2c1 ZINC000904398129 626287241 /nfs/dbraw/zinc/28/72/41/626287241.db2.gz LLDRFCHMZLIIEH-UHFFFAOYSA-N 2 0 270.380 1.230 10 0 CDAERP CC(C)[C@@H]([NH3+])C(C)(C)c1nc([C@H]2CCC[NH2+]2)no1 ZINC000905304242 626756289 /nfs/dbraw/zinc/75/62/89/626756289.db2.gz JMPLBCUKXBXDCY-NXEZZACHSA-N 2 0 252.362 1.755 10 0 CDAERP C[NH+](C)CC1(CNC(=O)C23CC[NH+](CC2)C3)CCCC1 ZINC000907378110 627627956 /nfs/dbraw/zinc/62/79/56/627627956.db2.gz VCJWEYHCQUHXBX-UHFFFAOYSA-N 2 0 279.428 1.320 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC000912047119 629752696 /nfs/dbraw/zinc/75/26/96/629752696.db2.gz IOXGGZRWBIVBQP-BYNSBNAKSA-N 2 0 279.428 1.460 10 0 CDAERP C[C@H](C(=O)N1[C@@H](C)CCC[C@H]1CC[NH+](C)C)[NH+](C)C ZINC000912648044 630125318 /nfs/dbraw/zinc/12/53/18/630125318.db2.gz CSLYYJVKRJCAJW-MJBXVCDLSA-N 2 0 269.433 1.658 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912917115 630285214 /nfs/dbraw/zinc/28/52/14/630285214.db2.gz VHQWUONFFRGTFS-MJBXVCDLSA-N 2 0 265.401 1.166 10 0 CDAERP [NH3+]Cc1cccc(C(=O)N2CCC3(CC[NH2+]3)CC2)c1 ZINC000842512564 630684729 /nfs/dbraw/zinc/68/47/29/630684729.db2.gz RSVYWYKBFJSVOC-UHFFFAOYSA-N 2 0 259.353 1.113 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)CC[N@@H+]1C ZINC000914275065 631306102 /nfs/dbraw/zinc/30/61/02/631306102.db2.gz GPKUZSOHFYQEQZ-OCCSQVGLSA-N 2 0 296.459 1.641 10 0 CDAERP C[C@H]1[C@H](NC(=O)NCC[NH+]2CCCC(C)(C)C2)CC[N@@H+]1C ZINC000925335461 632990220 /nfs/dbraw/zinc/99/02/20/632990220.db2.gz VSRPEATWXHOMCX-UONOGXRCSA-N 2 0 296.459 1.500 10 0 CDAERP CN(CC[NH2+]CCC1CC1)C(=O)C1([NH+](C)C)CCC1 ZINC001691346197 1159028185 /nfs/dbraw/zinc/02/81/85/1159028185.db2.gz SRBHKDXHVLNRFO-UHFFFAOYSA-N 2 0 267.417 1.319 10 0 CDAERP CCCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001266994144 1159072861 /nfs/dbraw/zinc/07/28/61/1159072861.db2.gz JVBZGDQEEBHGNJ-KBPBESRZSA-N 2 0 269.433 1.755 10 0 CDAERP CN(CC[NH2+]Cc1cccc(F)c1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001267072066 1159105996 /nfs/dbraw/zinc/10/59/96/1159105996.db2.gz PPHFBZWAJCNDRQ-AWEZNQCLSA-N 2 0 293.386 1.325 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)CC[NH2+]Cc1cccnc1)[NH+](C)C ZINC001267388163 1159361152 /nfs/dbraw/zinc/36/11/52/1159361152.db2.gz YOVYILFYOXECFX-HNNXBMFYSA-N 2 0 292.427 1.216 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001363887869 1160136252 /nfs/dbraw/zinc/13/62/52/1160136252.db2.gz VFGWUOKCCYGVES-KGLIPLIRSA-N 2 0 287.423 1.513 10 0 CDAERP CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CCO1 ZINC001502094353 1160250552 /nfs/dbraw/zinc/25/05/52/1160250552.db2.gz FZWFTTSBPPNXNR-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC[C@H]2CC[N@H+](C)C2)C1 ZINC001625287998 1165897091 /nfs/dbraw/zinc/89/70/91/1165897091.db2.gz LCOAXUSCOWNGKA-HZSPNIEDSA-N 2 0 267.417 1.175 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC001638901778 1166885341 /nfs/dbraw/zinc/88/53/41/1166885341.db2.gz ZTLTUZGFBPNUHD-AWEZNQCLSA-N 2 0 267.417 1.175 10 0 CDAERP c1cc(CN2CCC[N@@H+]3CCC[C@H]3C2)n(-c2cc[nH+]cc2)n1 ZINC001647287451 1168526376 /nfs/dbraw/zinc/52/63/76/1168526376.db2.gz IVGYCVFCSNANJF-INIZCTEOSA-N 2 0 297.406 1.937 10 0 CDAERP CC1(C)C[NH2+]CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001647343513 1168593597 /nfs/dbraw/zinc/59/35/97/1168593597.db2.gz RGHSABYCBMQSJF-ZDUSSCGKSA-N 2 0 279.428 1.509 10 0 CDAERP CCC[NH2+]C[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001567154484 1168600558 /nfs/dbraw/zinc/60/05/58/1168600558.db2.gz FLMGLKSAXWQYNH-HNNXBMFYSA-N 2 0 281.444 1.711 10 0 CDAERP CC(C)OCC[NH2+][C@H]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001567173512 1168606093 /nfs/dbraw/zinc/60/60/93/1168606093.db2.gz MTOCWLAQSPDQAT-GJZGRUSLSA-N 2 0 299.459 1.380 10 0 CDAERP CC(C)=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001567860953 1169025447 /nfs/dbraw/zinc/02/54/47/1169025447.db2.gz DCJAQTQBAJAPLX-KBPBESRZSA-N 2 0 265.401 1.189 10 0 CDAERP CCCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001568319256 1169243860 /nfs/dbraw/zinc/24/38/60/1169243860.db2.gz LPTOFNFYTCGUFW-STQMWFEESA-N 2 0 255.406 1.175 10 0 CDAERP CCOCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001568429679 1169283964 /nfs/dbraw/zinc/28/39/64/1169283964.db2.gz OEIFOMOQBKAUME-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP CN(CCC[NH2+]CC1CC1)C(=O)C12CCC[NH+]1CCC2 ZINC001569218004 1169725262 /nfs/dbraw/zinc/72/52/62/1169725262.db2.gz FSYXJKWBKDJTSR-UHFFFAOYSA-N 2 0 279.428 1.463 10 0 CDAERP CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001569829237 1170008698 /nfs/dbraw/zinc/00/86/98/1170008698.db2.gz VQPXPDKCJJWADV-QWHCGFSZSA-N 2 0 255.406 1.173 10 0 CDAERP CCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[N@H+](C)CC)C1 ZINC001571488725 1170452034 /nfs/dbraw/zinc/45/20/34/1170452034.db2.gz HCYBNRUYWWDRJD-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)CC[C@@H](C)F ZINC001660502739 1172222534 /nfs/dbraw/zinc/22/25/34/1172222534.db2.gz XRNLYCNJQHZOPB-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC[C@H](C[NH2+]CCCF)C1 ZINC001661832915 1172447526 /nfs/dbraw/zinc/44/75/26/1172447526.db2.gz ROERXSBYGBZIGY-CQSZACIVSA-N 2 0 287.423 1.516 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCCF ZINC001661929366 1172468972 /nfs/dbraw/zinc/46/89/72/1172468972.db2.gz FAPGOOOSCRQNPT-HUUCEWRRSA-N 2 0 299.434 1.801 10 0 CDAERP CN(CC[NH2+]Cc1cncs1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001664309628 1172838097 /nfs/dbraw/zinc/83/80/97/1172838097.db2.gz XNOKQVIVUGYQQV-GFCCVEGCSA-N 2 0 296.440 1.033 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C[NH2+]CCC1CC1 ZINC001666546237 1173149022 /nfs/dbraw/zinc/14/90/22/1173149022.db2.gz IHVBXEKMYSPWJW-CJNGLKHVSA-N 2 0 293.455 1.470 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001666902018 1173205202 /nfs/dbraw/zinc/20/52/02/1173205202.db2.gz ALKSBGQVILEOGE-RBSFLKMASA-N 2 0 283.460 1.809 10 0 CDAERP CCCC[NH2+]C[C@H](C)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001666943693 1173210858 /nfs/dbraw/zinc/21/08/58/1173210858.db2.gz SNIJMTDEKISUNX-AWEZNQCLSA-N 2 0 281.444 1.851 10 0 CDAERP C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@H]1C[NH2+]CCCF ZINC001667399733 1173263297 /nfs/dbraw/zinc/26/32/97/1173263297.db2.gz CIDQMKNTVVPSPI-GJZGRUSLSA-N 2 0 299.434 1.659 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C)C[NH2+]CC[C@H]1CCCCO1)[NH+](C)C ZINC001669399889 1173546703 /nfs/dbraw/zinc/54/67/03/1173546703.db2.gz SGBHMUYNAXWTER-KFWWJZLASA-N 2 0 299.459 1.380 10 0 CDAERP COCC[NH2+]C1(C)CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001673958742 1173902720 /nfs/dbraw/zinc/90/27/20/1173902720.db2.gz JDXPEDGYLMFWTB-UHFFFAOYSA-N 2 0 297.443 1.088 10 0 CDAERP CCCCC[NH+]1CC([C@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001675359682 1174106430 /nfs/dbraw/zinc/10/64/30/1174106430.db2.gz KEJPDCSDFUEEDE-LSDHHAIUSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001690857151 1175592514 /nfs/dbraw/zinc/59/25/14/1175592514.db2.gz CGCZJGFBTROXNF-STQMWFEESA-N 2 0 255.406 1.364 10 0 CDAERP COCC[NH2+][C@H](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001690866793 1175594990 /nfs/dbraw/zinc/59/49/90/1175594990.db2.gz AZFMDJOHMFFVQJ-CABCVRRESA-N 2 0 299.459 1.382 10 0 CDAERP CC[N@H+](C)CCOCCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001692108727 1175679473 /nfs/dbraw/zinc/67/94/73/1175679473.db2.gz OIXAORSZWZUKTG-UHFFFAOYSA-N 2 0 299.459 1.145 10 0 CDAERP CCC[N@H+](C)CC(=O)NC1C[NH+](CCC(C)(C)C)C1 ZINC001692256089 1175715892 /nfs/dbraw/zinc/71/58/92/1175715892.db2.gz UBEZNAHNDHSZSF-UHFFFAOYSA-N 2 0 269.433 1.565 10 0 CDAERP CCC[NH2+][C@H](CC)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001698609906 1175871196 /nfs/dbraw/zinc/87/11/96/1175871196.db2.gz HVSGJVWRCYCQBZ-MELADBBJSA-N 2 0 269.433 1.611 10 0 CDAERP CC[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CCCO ZINC001698620711 1175875313 /nfs/dbraw/zinc/87/53/13/1175875313.db2.gz HZZPNMAMZBNYHH-GJZGRUSLSA-N 2 0 299.459 1.118 10 0 CDAERP CC[NH2+]C/C=C/CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001699270003 1176190430 /nfs/dbraw/zinc/19/04/30/1176190430.db2.gz CNXNQWPULHOTPM-MUBLQREKSA-N 2 0 253.390 1.143 10 0 CDAERP CCC(CC)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001699357284 1176306900 /nfs/dbraw/zinc/30/69/00/1176306900.db2.gz ZADKSDKLRXLJDM-OCCSQVGLSA-N 2 0 269.433 1.611 10 0 CDAERP Cc1c(C(=O)N[C@@H](C)C[NH2+]CCF)ccc2c[nH+]cn21 ZINC001699411141 1176375862 /nfs/dbraw/zinc/37/58/62/1176375862.db2.gz FOHWSBNFKLIEHV-JTQLQIEISA-N 2 0 278.331 1.320 10 0 CDAERP CN(CCC[NH2+]Cc1cscn1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001699499756 1176450462 /nfs/dbraw/zinc/45/04/62/1176450462.db2.gz FHZAIIQYUJHIFC-ZDUSSCGKSA-N 2 0 296.440 1.175 10 0 CDAERP CN(CCC[NH2+]CCCF)C(=O)C12CCC[NH+](CCC1)C2 ZINC001699516954 1176457576 /nfs/dbraw/zinc/45/75/76/1176457576.db2.gz YYNSLSYTHYFAHL-UHFFFAOYSA-N 2 0 299.434 1.660 10 0 CDAERP CN(CCC[NH2+]CC=C(Cl)Cl)C(=O)CC[NH+](C)C ZINC001699531867 1176464048 /nfs/dbraw/zinc/46/40/48/1176464048.db2.gz KNZDSGVKBPFNJH-UHFFFAOYSA-N 2 0 296.242 1.695 10 0 CDAERP C[C@@H]1[C@H](C(=O)N[C@H](C[NH2+]C/C=C/Cl)C2CC2)CC[N@@H+]1C ZINC001699576414 1176480560 /nfs/dbraw/zinc/48/05/60/1176480560.db2.gz ODHIXOFKSMPTAZ-OCCXRSBESA-N 2 0 299.846 1.564 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)CC[NH+](C)C)CCC1 ZINC001700137126 1176764610 /nfs/dbraw/zinc/76/46/10/1176764610.db2.gz UXWLFKBAZSALQV-UHFFFAOYSA-N 2 0 255.406 1.367 10 0 CDAERP CCCCC[NH2+][C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001700274342 1176827515 /nfs/dbraw/zinc/82/75/15/1176827515.db2.gz NNYXOQSEEFLXFX-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@@H](F)C[N@H+](C)CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001707374171 1178000976 /nfs/dbraw/zinc/00/09/76/1178000976.db2.gz FJLYMYYUPGSYMD-CABCVRRESA-N 2 0 299.434 1.514 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)C[NH2+]CC2 ZINC000232228665 1178188821 /nfs/dbraw/zinc/18/88/21/1178188821.db2.gz KPXIXKQZDIIYGA-HNNXBMFYSA-N 2 0 273.380 1.156 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]cn2)C1 ZINC001713169071 1178409511 /nfs/dbraw/zinc/40/95/11/1178409511.db2.gz GVEASKSTUHNRFX-IJLUTSLNSA-N 2 0 264.373 1.235 10 0 CDAERP C[NH+](C)CCCCC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCF)C1 ZINC001713382798 1178529142 /nfs/dbraw/zinc/52/91/42/1178529142.db2.gz UIQOWYJVILJSSX-ZIAGYGMSSA-N 2 0 287.423 1.705 10 0 CDAERP CCC[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001713641586 1178693256 /nfs/dbraw/zinc/69/32/56/1178693256.db2.gz SIAPYRRYYVPFMA-AWEZNQCLSA-N 2 0 269.433 1.707 10 0 CDAERP O=C(Cn1ccnc1)N[C@H]1C[C@H]([NH2+]CCCCCF)C1 ZINC001713968581 1178900814 /nfs/dbraw/zinc/90/08/14/1178900814.db2.gz VBHILKGBMIHOBF-JOCQHMNTSA-N 2 0 282.363 1.260 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001714079376 1178963567 /nfs/dbraw/zinc/96/35/67/1178963567.db2.gz MNDZHWBPHMOMOQ-AWEZNQCLSA-N 2 0 269.433 1.566 10 0 CDAERP COCCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001714625740 1179277908 /nfs/dbraw/zinc/27/79/08/1179277908.db2.gz SOEHUAGOEGGEEO-RBSFLKMASA-N 2 0 299.459 1.190 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]CC2CCCC2)C1 ZINC001714756505 1179379816 /nfs/dbraw/zinc/37/98/16/1179379816.db2.gz OEFDIZIKZPLSSU-CQSZACIVSA-N 2 0 281.444 1.566 10 0 CDAERP CCC[N@H+](C)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001714911755 1179448516 /nfs/dbraw/zinc/44/85/16/1179448516.db2.gz GWBJCRVOERFJAZ-UHFFFAOYSA-N 2 0 269.433 1.519 10 0 CDAERP CC/C=C\CCN1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001714960057 1179477923 /nfs/dbraw/zinc/47/79/23/1179477923.db2.gz UNXXXOXPVUHQDK-ZFDPJTLLSA-N 2 0 265.401 1.095 10 0 CDAERP CCCCC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001715059768 1179533869 /nfs/dbraw/zinc/53/38/69/1179533869.db2.gz XNDASUMAPLKZDY-KGLIPLIRSA-N 2 0 269.433 1.755 10 0 CDAERP C[NH+](C)CCC(=O)N[C@](C)(C[NH2+]C/C=C/Cl)C1CC1 ZINC001715119143 1179557779 /nfs/dbraw/zinc/55/77/79/1179557779.db2.gz SGFAJLUBBPPQIZ-YOIVXCQUSA-N 2 0 287.835 1.565 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CC[NH+](C)C ZINC001715555757 1179715011 /nfs/dbraw/zinc/71/50/11/1179715011.db2.gz ILDNHCMFRPSKLV-KBPBESRZSA-N 2 0 269.433 1.613 10 0 CDAERP CCCCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001715706319 1179769917 /nfs/dbraw/zinc/76/99/17/1179769917.db2.gz INSBVXPWIUMMNJ-KGLIPLIRSA-N 2 0 269.433 1.613 10 0 CDAERP CC[C@H](F)C[NH2+]CCN(CC)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001715735962 1179784924 /nfs/dbraw/zinc/78/49/24/1179784924.db2.gz YLCVFFLYAQQVIR-LSDHHAIUSA-N 2 0 299.434 1.514 10 0 CDAERP CCC[NH2+]CCN(CC)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001715741332 1179785919 /nfs/dbraw/zinc/78/59/19/1179785919.db2.gz BMSBSYHAIUFLPS-LSDHHAIUSA-N 2 0 281.444 1.851 10 0 CDAERP CCN(CC[NH2+]CCC(C)(C)C)C(=O)C[NH+]1CCCC1 ZINC001715773211 1179798920 /nfs/dbraw/zinc/79/89/20/1179798920.db2.gz GOLRZHYFNJFFRU-UHFFFAOYSA-N 2 0 283.460 1.957 10 0 CDAERP CC[NH2+]CCN(CC)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001715775461 1179801327 /nfs/dbraw/zinc/80/13/27/1179801327.db2.gz NLAPHWYFHIUBAN-STQMWFEESA-N 2 0 255.406 1.317 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC1CCC1 ZINC001715833099 1179857534 /nfs/dbraw/zinc/85/75/34/1179857534.db2.gz HNBZTTCUQFRUTJ-ABCZVMIZSA-N 2 0 279.428 1.533 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NC/C=C/C[NH2+]CCC2CC2)C1 ZINC001715909050 1179908870 /nfs/dbraw/zinc/90/88/70/1179908870.db2.gz OTLPAKZAOPZMFQ-BAABZTOOSA-N 2 0 265.401 1.000 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]C/C=C\Cl ZINC001715977257 1179958044 /nfs/dbraw/zinc/95/80/44/1179958044.db2.gz CUJINPPLQNPUHV-XEBOPQQMSA-N 2 0 287.835 1.708 10 0 CDAERP CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001716333652 1180158907 /nfs/dbraw/zinc/15/89/07/1180158907.db2.gz CENISQGBPDUXLW-IYKSTZQJSA-N 2 0 281.444 1.780 10 0 CDAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC1CC1 ZINC001716395578 1180184080 /nfs/dbraw/zinc/18/40/80/1180184080.db2.gz WNEQNWAGMGUNRA-TZMCWYRMSA-N 2 0 267.417 1.364 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC=C(C)C ZINC001716424665 1180198689 /nfs/dbraw/zinc/19/86/89/1180198689.db2.gz PFRVDODBMOWGKA-HUUCEWRRSA-N 2 0 281.444 1.921 10 0 CDAERP C[C@@H](C[NH2+]C/C=C\Cl)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001716448154 1180215512 /nfs/dbraw/zinc/21/55/12/1180215512.db2.gz VBAWOAUASMOSIK-DGMVEKRQSA-N 2 0 287.835 1.708 10 0 CDAERP C[C@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C[NH2+]CCCF ZINC001716456044 1180220545 /nfs/dbraw/zinc/22/05/45/1180220545.db2.gz UQVXMQHUQNDAED-MNOVXSKESA-N 2 0 270.352 1.042 10 0 CDAERP O=C(N[C@@H](C[NH2+]CCC1CC1)C1CC1)C12CC[NH+](CC1)C2 ZINC001716627733 1180314774 /nfs/dbraw/zinc/31/47/74/1180314774.db2.gz UIVSDVKPQFDCGT-HNNXBMFYSA-N 2 0 291.439 1.367 10 0 CDAERP CC(C)=CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001716682634 1180366510 /nfs/dbraw/zinc/36/65/10/1180366510.db2.gz RMEOLDMRQSNZJN-ZIAGYGMSSA-N 2 0 279.428 1.531 10 0 CDAERP O=C(CC[NH+]1CCCCC1)N1CC[C@H](CC[NH2+]CCF)C1 ZINC001717111570 1180533025 /nfs/dbraw/zinc/53/30/25/1180533025.db2.gz VHMJJVWRIOXHJE-HNNXBMFYSA-N 2 0 299.434 1.660 10 0 CDAERP CC(C)=CC[NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001717286208 1180604920 /nfs/dbraw/zinc/60/49/20/1180604920.db2.gz QFSZRCXIQYUZPM-CABCVRRESA-N 2 0 281.444 1.731 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC(C)C ZINC001717435430 1180670771 /nfs/dbraw/zinc/67/07/71/1180670771.db2.gz RKBVUHPKCDZFLO-STQMWFEESA-N 2 0 257.422 1.467 10 0 CDAERP CCCC[NH2+]C[C@@H]1CC[C@H](NC(=O)Cn2cncc2C)C1 ZINC001717876271 1180908516 /nfs/dbraw/zinc/90/85/16/1180908516.db2.gz AXYUQUIAQCCLRN-CABCVRRESA-N 2 0 292.427 1.866 10 0 CDAERP CCCC[N@@H+]1CC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001723473150 1181571353 /nfs/dbraw/zinc/57/13/53/1181571353.db2.gz NBOOIEKNQQPQQX-ZIAGYGMSSA-N 2 0 267.417 1.319 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CCC1 ZINC001724785853 1181753552 /nfs/dbraw/zinc/75/35/52/1181753552.db2.gz LSQRQCJAGXWXFL-HNNXBMFYSA-N 2 0 293.455 1.757 10 0 CDAERP COCCCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001724996693 1181818217 /nfs/dbraw/zinc/81/82/17/1181818217.db2.gz MCSWRTYHLBGVLF-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@H+](C)CC1CC1 ZINC001725049103 1181835775 /nfs/dbraw/zinc/83/57/75/1181835775.db2.gz RWTRMBNKFCSIMM-CQSZACIVSA-N 2 0 267.417 1.271 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CC1CCC1 ZINC001725125098 1181873663 /nfs/dbraw/zinc/87/36/63/1181873663.db2.gz PYDROIKWGPNNES-CHWSQXEVSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@H](CN(C)C(=O)C1CC[NH+](C)CC1)[NH2+]CCCF ZINC001725505364 1182028845 /nfs/dbraw/zinc/02/88/45/1182028845.db2.gz MBQTZCFVAZXBQX-GFCCVEGCSA-N 2 0 273.396 1.124 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001725517167 1182033702 /nfs/dbraw/zinc/03/37/02/1182033702.db2.gz GENITYPFIGOAGK-STQMWFEESA-N 2 0 255.406 1.031 10 0 CDAERP CCCC[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C ZINC001725678844 1182094714 /nfs/dbraw/zinc/09/47/14/1182094714.db2.gz ISHGBFBXFJRNNM-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[NH2+]C[C@H](O)CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001725695864 1182099765 /nfs/dbraw/zinc/09/97/65/1182099765.db2.gz QANWMRUGEQPGBK-AWEZNQCLSA-N 2 0 299.459 1.070 10 0 CDAERP CC(C)CC[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000488431303 1182203881 /nfs/dbraw/zinc/20/38/81/1182203881.db2.gz KWCIDTAABLOTPF-AWEZNQCLSA-N 2 0 271.449 1.715 10 0 CDAERP COC[C@H](C)[N@H+](C)CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001731269751 1182285932 /nfs/dbraw/zinc/28/59/32/1182285932.db2.gz IOECNLZGJJSLAN-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP CC[N@H+](CCF)CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001731313259 1182311822 /nfs/dbraw/zinc/31/18/22/1182311822.db2.gz FERYVLFZDZIFOC-UHFFFAOYSA-N 2 0 287.423 1.659 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001731319087 1182314334 /nfs/dbraw/zinc/31/43/34/1182314334.db2.gz AMJCSGDBCBWUDY-CABCVRRESA-N 2 0 281.444 1.851 10 0 CDAERP CC[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)C[C@@H](C)OC ZINC001731315685 1182316063 /nfs/dbraw/zinc/31/60/63/1182316063.db2.gz KGWAOSJRHSWWMN-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP CCCC[N@@H+]1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001732053207 1182741430 /nfs/dbraw/zinc/74/14/30/1182741430.db2.gz MMOFIYFDJZZLDM-CQSZACIVSA-N 2 0 269.433 1.566 10 0 CDAERP COCCC[NH2+]C[C@@H](C)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001732443078 1182967861 /nfs/dbraw/zinc/96/78/61/1182967861.db2.gz PNRHETRAVGLOLY-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@@H](F)C[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001732854436 1183158761 /nfs/dbraw/zinc/15/87/61/1183158761.db2.gz ZHGQBOQMRNZMMS-VNOZKIMMSA-N 2 0 299.434 1.727 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]C/C=C\Cl ZINC001732956211 1183202840 /nfs/dbraw/zinc/20/28/40/1183202840.db2.gz CUJINPPLQNPUHV-WFMXKNRHSA-N 2 0 287.835 1.708 10 0 CDAERP C[C@H](C[NH2+]C/C=C\c1ccccc1)NC(=O)CC[NH+](C)C ZINC001732968646 1183210371 /nfs/dbraw/zinc/21/03/71/1183210371.db2.gz LPOLOZOREJNGAU-YYRKOSNBSA-N 2 0 289.423 1.746 10 0 CDAERP CC/C=C\CC[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001733069908 1183276721 /nfs/dbraw/zinc/27/67/21/1183276721.db2.gz ZXQNYUFLTNCKDH-IYKSTZQJSA-N 2 0 281.444 1.875 10 0 CDAERP COCC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001733142946 1183305225 /nfs/dbraw/zinc/30/52/25/1183305225.db2.gz LOCWVBSRVXWGQB-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP COCC[NH2+]CCCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001733142945 1183305513 /nfs/dbraw/zinc/30/55/13/1183305513.db2.gz LOCWVBSRVXWGQB-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@](C)(C[NH2+]CCF)C1 ZINC001733427214 1183430140 /nfs/dbraw/zinc/43/01/40/1183430140.db2.gz OHSVKZWHUUUDIV-GDBMZVCRSA-N 2 0 299.434 1.659 10 0 CDAERP CCCC[NH2+]CC[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001733673335 1183494425 /nfs/dbraw/zinc/49/44/25/1183494425.db2.gz QDUQPOVGIRPFIJ-CVEARBPZSA-N 2 0 295.471 1.957 10 0 CDAERP CCCCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CCO1 ZINC001733752475 1183517709 /nfs/dbraw/zinc/51/77/09/1183517709.db2.gz ZTUWCOWEQMDVAT-HNNXBMFYSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CCC1CC1 ZINC001733851723 1183550232 /nfs/dbraw/zinc/55/02/32/1183550232.db2.gz ODURDLBJKWSREH-GXTWGEPZSA-N 2 0 267.417 1.175 10 0 CDAERP CC(C)[NH+]1CCC(CO)(NC(=O)CCCC[NH+](C)C)CC1 ZINC001733918648 1183567170 /nfs/dbraw/zinc/56/71/70/1183567170.db2.gz NQROZLMEHATKMZ-UHFFFAOYSA-N 2 0 299.459 1.070 10 0 CDAERP C[C@@H]([NH2+]CC1CCC1)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001734000758 1183609815 /nfs/dbraw/zinc/60/98/15/1183609815.db2.gz GBXMBRYNAUMDCV-OLZOCXBDSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)[NH2+]C1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001734012009 1183613401 /nfs/dbraw/zinc/61/34/01/1183613401.db2.gz OSGSNCCGCVAKQE-UHFFFAOYSA-N 2 0 269.433 1.706 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000438914603 1186801710 /nfs/dbraw/zinc/80/17/10/1186801710.db2.gz VCWSQXIGVOROKG-OSFYFWSMSA-N 2 0 279.428 1.316 10 0 CDAERP CC(C)CC(=O)N1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001771911329 1186949149 /nfs/dbraw/zinc/94/91/49/1186949149.db2.gz SLTMKAVTSHWQIC-MQVJKMGUSA-N 2 0 293.455 1.707 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000468095123 1164337857 /nfs/dbraw/zinc/33/78/57/1164337857.db2.gz AHQJSBOHRVZPEM-RDBSUJKOSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001490801679 1164862171 /nfs/dbraw/zinc/86/21/71/1164862171.db2.gz XHNCMNFLASJDPI-BETUJISGSA-N 2 0 253.390 1.022 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@@H]2CCC[C@@H]2CCCF)CC1 ZINC000925817685 751356855 /nfs/dbraw/zinc/35/68/55/751356855.db2.gz VMVSKRLMTWBAEM-UKRRQHHQSA-N 2 0 271.424 1.918 10 0 CDAERP CC1([NH+]2CCCC2)CCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC1 ZINC000872309970 752304939 /nfs/dbraw/zinc/30/49/39/752304939.db2.gz YOLUUHISCDKSTO-KEYYUXOJSA-N 2 0 291.439 1.591 10 0 CDAERP O[C@@H](CN(C1CC1)C1CC[NH2+]CC1)C(F)(F)F ZINC000923279650 751378516 /nfs/dbraw/zinc/37/85/16/751378516.db2.gz AVRFCFVIWMVODL-JTQLQIEISA-N 2 0 252.280 1.126 10 0 CDAERP Cc1csc(=O)n1CC[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705111 751381029 /nfs/dbraw/zinc/38/10/29/751381029.db2.gz UAKVZZPVOIBIPS-OAHLLOKOSA-N 2 0 297.468 1.915 10 0 CDAERP C(N[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925839108 751381762 /nfs/dbraw/zinc/38/17/62/751381762.db2.gz FTSBJHPPRNMDQA-FIDHJVLJSA-N 2 0 293.455 1.265 10 0 CDAERP C[N@H+](C[C@@H]1CC[C@H](C(F)(F)F)O1)C1CC([NH3+])C1 ZINC000721458904 751403615 /nfs/dbraw/zinc/40/36/15/751403615.db2.gz MHNNWPSOMUQOBY-HORUIINNSA-N 2 0 252.280 1.518 10 0 CDAERP C[NH+](C)CC1(O)CC[NH+](C[C@@H]2CC3(CCC3)CO2)CC1 ZINC000931479641 751504023 /nfs/dbraw/zinc/50/40/23/751504023.db2.gz WNQMOPUBAQPCLE-AWEZNQCLSA-N 2 0 282.428 1.334 10 0 CDAERP CN1Cc2ccccc2[C@@H]1CNC(=O)CC(C)(C)[NH3+] ZINC000870979518 753766138 /nfs/dbraw/zinc/76/61/38/753766138.db2.gz NOOFJIQKRAWOHQ-ZDUSSCGKSA-N 2 0 261.369 1.417 10 0 CDAERP C[C@@H](CC[NH+](C)C)[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724097473 753822233 /nfs/dbraw/zinc/82/22/33/753822233.db2.gz XHEMFHRFEZSIFB-IUCAKERBSA-N 2 0 292.292 1.865 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712672321 751693763 /nfs/dbraw/zinc/69/37/63/751693763.db2.gz VGHDFNWGPBRQON-GFCCVEGCSA-N 2 0 255.406 1.303 10 0 CDAERP C[NH2+]CCC1CC[NH+](CCc2ccc(C(N)=O)cc2)CC1 ZINC000866658950 751819758 /nfs/dbraw/zinc/81/97/58/751819758.db2.gz ARSBIWCSKDFRSZ-UHFFFAOYSA-N 2 0 289.423 1.650 10 0 CDAERP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872275919 751823939 /nfs/dbraw/zinc/82/39/39/751823939.db2.gz LZYOZSVSKAZRFV-DOTOQJQBSA-N 2 0 296.455 1.867 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CC[C@H]2C2CC2)CC1 ZINC000854231294 751833331 /nfs/dbraw/zinc/83/33/31/751833331.db2.gz IRDBBUODLOVQHL-JKSUJKDBSA-N 2 0 293.455 1.755 10 0 CDAERP CCCNC(=O)[C@H](C)[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714455515 751843334 /nfs/dbraw/zinc/84/33/34/751843334.db2.gz LHPJBKUKXOFZLI-LBPRGKRZSA-N 2 0 269.433 1.598 10 0 CDAERP C[N@@H+]1CCN(C(=O)[C@@H]2CC23CC[NH2+]CC3)CCC1(C)C ZINC000712691955 751862402 /nfs/dbraw/zinc/86/24/02/751862402.db2.gz XIAOLKBVAAUPGE-ZDUSSCGKSA-N 2 0 279.428 1.319 10 0 CDAERP CN(C)[C@H](CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C(F)(F)F ZINC000925838011 751863177 /nfs/dbraw/zinc/86/31/77/751863177.db2.gz VCUABSPDLXVZDS-DVWMECQTSA-N 2 0 291.361 1.455 10 0 CDAERP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CCSC2)C[C@@H]1C(F)(F)F ZINC000720845331 751879491 /nfs/dbraw/zinc/87/94/91/751879491.db2.gz QTOOVDGGEZNXQS-AEJSXWLSSA-N 2 0 268.348 1.809 10 0 CDAERP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000923307604 751898512 /nfs/dbraw/zinc/89/85/12/751898512.db2.gz VWHJAIQQYTVQTK-KKUMJFAQSA-N 2 0 296.459 1.499 10 0 CDAERP C[C@H](C[C@H]1COCCN1)[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925809456 752046269 /nfs/dbraw/zinc/04/62/69/752046269.db2.gz VQPQVKUHJPFVKW-WBVHZDCISA-N 2 0 297.487 1.903 10 0 CDAERP C[C@H]1C[C@H](N(C)C(=O)CC[NH2+]CC2CC2)CC[N@@H+]1C ZINC000870893047 1165228996 /nfs/dbraw/zinc/22/89/96/1165228996.db2.gz NKYYRAZUPPIZPN-GXTWGEPZSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@H]2CCn3cncc32)CC[N@@H+]1C ZINC000857980276 752239302 /nfs/dbraw/zinc/23/93/02/752239302.db2.gz WFBRNYVJXYPGBD-SRVKXCTJSA-N 2 0 262.357 1.174 10 0 CDAERP CC(C)OC[C@H](O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250573724 752868380 /nfs/dbraw/zinc/86/83/80/752868380.db2.gz BZTSZNFHNDOLKZ-RRFJBIMHSA-N 2 0 270.417 1.236 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000925720839 749370293 /nfs/dbraw/zinc/37/02/93/749370293.db2.gz VBCWTLNMWMMAQL-VYDRJRHOSA-N 2 0 252.402 1.922 10 0 CDAERP CC(C)[C@@](C)(C[NH3+])[NH2+]C[C@@H]1CC2(CO1)CCOCC2 ZINC000872141281 749383321 /nfs/dbraw/zinc/38/33/21/749383321.db2.gz BISQIZMSLSJMOI-UONOGXRCSA-N 2 0 270.417 1.535 10 0 CDAERP CC[C@@H](C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1)[NH+](C)C ZINC000870989195 749393273 /nfs/dbraw/zinc/39/32/73/749393273.db2.gz AEKYINHXAGIFAT-WFASDCNBSA-N 2 0 269.433 1.550 10 0 CDAERP C[N@H+](C[C@@H](O)CC1CCCC1)C1(C[NH3+])CCOCC1 ZINC000725052726 749406448 /nfs/dbraw/zinc/40/64/48/749406448.db2.gz SLTWMNPCFBQWGL-AWEZNQCLSA-N 2 0 270.417 1.367 10 0 CDAERP CC(C)CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000864409546 749412910 /nfs/dbraw/zinc/41/29/10/749412910.db2.gz XUVCOKAMIUKBBI-ZIAGYGMSSA-N 2 0 284.448 1.023 10 0 CDAERP C[C@@H]([NH2+][C@@H]1CC(=O)N(CC2CC2)C1)C1CC[NH+](C)CC1 ZINC000716771336 749446598 /nfs/dbraw/zinc/44/65/98/749446598.db2.gz CCCSRRNSRKEUJT-IUODEOHRSA-N 2 0 279.428 1.317 10 0 CDAERP CCO[C@H](CN[C@H]1CCCC[C@@H]1C[NH3+])C[NH+](C)C ZINC000925842111 749476867 /nfs/dbraw/zinc/47/68/67/749476867.db2.gz WIIQJSOEZPMHMF-MCIONIFRSA-N 2 0 257.422 1.060 10 0 CDAERP Cc1ccc(C[N@H+](C)CCN2CC[NH2+]CC2)nc1Cl ZINC000866659351 749520698 /nfs/dbraw/zinc/52/06/98/749520698.db2.gz KMZZPVGOTNGGCT-UHFFFAOYSA-N 2 0 282.819 1.380 10 0 CDAERP C[NH+](C)C[C@](C)(O)C[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000227975991 749522570 /nfs/dbraw/zinc/52/25/70/749522570.db2.gz WFPIGWMGYMVRGS-UONOGXRCSA-N 2 0 270.417 1.380 10 0 CDAERP CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]CCC[NH3+])C1 ZINC000817939127 749526143 /nfs/dbraw/zinc/52/61/43/749526143.db2.gz ZJHAMUCGKXKVQV-GHMZBOCLSA-N 2 0 278.343 1.682 10 0 CDAERP C[C@H]1C[C@H](C[N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)CCO1 ZINC000931439593 749528946 /nfs/dbraw/zinc/52/89/46/749528946.db2.gz WAJMRDUPXZWKTP-LJISPDSOSA-N 2 0 252.402 1.685 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1C[C@@H](C)n2ncnc21 ZINC000926686531 749540192 /nfs/dbraw/zinc/54/01/92/749540192.db2.gz QCLRIDQETPXYDI-BFHYXJOUSA-N 2 0 294.447 1.146 10 0 CDAERP COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000925643827 749549782 /nfs/dbraw/zinc/54/97/82/749549782.db2.gz LJKDNEOKTUNLKU-IHRRRGAJSA-N 2 0 295.427 1.728 10 0 CDAERP CCc1noc(C)c1C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923449568 749574589 /nfs/dbraw/zinc/57/45/89/749574589.db2.gz OYTCCWHHWBJRBX-CYBMUJFWSA-N 2 0 293.411 1.875 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)CCC[NH2+]C2CC2)C[C@@H]1C ZINC000923325241 749582409 /nfs/dbraw/zinc/58/24/09/749582409.db2.gz SJGWGYQOIQLPIQ-ZFWWWQNUSA-N 2 0 253.434 1.933 10 0 CDAERP CCC[C@@H](C(=O)OCC)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723910336 749623855 /nfs/dbraw/zinc/62/38/55/749623855.db2.gz UTJPDRVIHDSXMP-UPJWGTAASA-N 2 0 256.390 1.635 10 0 CDAERP C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2F)CC[C@H]1C[NH3+] ZINC000923492349 749638513 /nfs/dbraw/zinc/63/85/13/749638513.db2.gz NBVNOOOENXARTI-RDBSUJKOSA-N 2 0 296.386 1.482 10 0 CDAERP CCn1cc([C@@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cn1 ZINC000925801118 749705002 /nfs/dbraw/zinc/70/50/02/749705002.db2.gz UMNVQGLSAVFDPS-JHJVBQTASA-N 2 0 250.390 1.799 10 0 CDAERP C[C@H](CN[C@H]1C[N@@H+]2C[C@@H]1CCC2)[NH+]1CCCC[C@H]1C ZINC000924658623 749719153 /nfs/dbraw/zinc/71/91/53/749719153.db2.gz AJXWJKDVZVENEA-WCVJEAGWSA-N 2 0 265.445 1.933 10 0 CDAERP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCCOc1ccccc1)C2 ZINC000702048592 749724293 /nfs/dbraw/zinc/72/42/93/749724293.db2.gz KDUNTEBUWCHHFT-GOEBONIOSA-N 2 0 260.381 1.997 10 0 CDAERP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870906377 749782957 /nfs/dbraw/zinc/78/29/57/749782957.db2.gz LWIRSLAJYFRLAA-CVGUKDDFSA-N 2 0 277.412 1.118 10 0 CDAERP COC1(OC)CC[C@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715554162 749817771 /nfs/dbraw/zinc/81/77/71/749817771.db2.gz VSYNZJYIGBYNOP-WXRRBKDZSA-N 2 0 256.390 1.600 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)CC[C@H]2CC[NH2+]C2)C1 ZINC000870992015 749826366 /nfs/dbraw/zinc/82/63/66/749826366.db2.gz HMXWLYHHXNCBDT-XJKSGUPXSA-N 2 0 281.444 1.600 10 0 CDAERP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC1(C)CC(F)(F)C1 ZINC000925733543 749826975 /nfs/dbraw/zinc/82/69/75/749826975.db2.gz JLLPWCORKBWSMC-AXFHLTTASA-N 2 0 262.344 1.764 10 0 CDAERP CC1CC[NH+](CCCC[NH2+]C[C@H](O)CC(C)(C)O)CC1 ZINC000872200903 749850424 /nfs/dbraw/zinc/85/04/24/749850424.db2.gz MHWIJBSEBHZZFA-OAHLLOKOSA-N 2 0 286.460 1.610 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](Cn2cnnc2)CC1 ZINC000776759509 749854056 /nfs/dbraw/zinc/85/40/56/749854056.db2.gz RKVXZTSOXLZBKS-UHFFFAOYSA-N 2 0 251.378 1.289 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000711277634 749870159 /nfs/dbraw/zinc/87/01/59/749870159.db2.gz SUTLILQKJWRDTI-ZDUSSCGKSA-N 2 0 267.417 1.175 10 0 CDAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000718056403 749882679 /nfs/dbraw/zinc/88/26/79/749882679.db2.gz ZRAXDDXGRDMKBG-DGAVXFQQSA-N 2 0 265.401 1.199 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)NCC1CC[NH+](CC2CC2)CC1 ZINC000852924850 749901027 /nfs/dbraw/zinc/90/10/27/749901027.db2.gz VIDHKMDJDQGBSG-UHFFFAOYSA-N 2 0 291.439 1.534 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCOC(F)(F)C(F)(F)F ZINC000720308793 749971281 /nfs/dbraw/zinc/97/12/81/749971281.db2.gz MMPVTTQTZLGCRL-HTQZYQBOSA-N 2 0 276.249 1.875 10 0 CDAERP C[NH2+]CCCN1C[C@@H](C[C@H]2COCC[NH2+]2)c2ccccc21 ZINC000923544003 749974725 /nfs/dbraw/zinc/97/47/25/749974725.db2.gz YCJLSIAEBAXKHL-CABCVRRESA-N 2 0 289.423 1.578 10 0 CDAERP C[NH+](C)C1(C)CCC(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000871360155 750005230 /nfs/dbraw/zinc/00/52/30/750005230.db2.gz JWAJBMCZJKPZIM-GULBITTBSA-N 2 0 293.455 1.992 10 0 CDAERP C[C@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)C1CC[NH+](C)CC1 ZINC000866534737 750054930 /nfs/dbraw/zinc/05/49/30/750054930.db2.gz YCZBQNKWODXTLS-GOEBONIOSA-N 2 0 296.455 1.892 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925508261 750092273 /nfs/dbraw/zinc/09/22/73/750092273.db2.gz PSDWALHZZNQRAZ-LXTVHRRPSA-N 2 0 265.445 1.966 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000925785760 750093234 /nfs/dbraw/zinc/09/32/34/750093234.db2.gz QSHUHFMWPAFYIH-DUFGSWQCSA-N 2 0 287.407 1.440 10 0 CDAERP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+][C@H]1CCN(CC2CC2)C1 ZINC000925010665 750109803 /nfs/dbraw/zinc/10/98/03/750109803.db2.gz HGKDJHZESLXNCY-MYZSUADSSA-N 2 0 252.402 1.731 10 0 CDAERP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000929842945 750140907 /nfs/dbraw/zinc/14/09/07/750140907.db2.gz FWGMRLSRWCSVDV-BYNSBNAKSA-N 2 0 280.412 1.602 10 0 CDAERP CC1(C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)CC1 ZINC000863643280 750308379 /nfs/dbraw/zinc/30/83/79/750308379.db2.gz JIBBNSCFGXVSEC-OLZOCXBDSA-N 2 0 279.384 1.044 10 0 CDAERP C[C@H](NC[C@H]1C[NH2+]CCC1(F)F)[C@@H]1CCCC[NH2+]1 ZINC000925774534 750326011 /nfs/dbraw/zinc/32/60/11/750326011.db2.gz AYDPWEUKKYKZHP-TUAOUCFPSA-N 2 0 261.360 1.351 10 0 CDAERP CC[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)[C@@H]1CCCOC1 ZINC000872022731 750340690 /nfs/dbraw/zinc/34/06/90/750340690.db2.gz ZBLGHFQLFWYEHP-HZPDHXFCSA-N 2 0 297.487 1.807 10 0 CDAERP C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C[NH2+]1 ZINC000872309129 750353821 /nfs/dbraw/zinc/35/38/21/750353821.db2.gz QKVHAWWJCZDMTE-RVMXOQNASA-N 2 0 253.390 1.151 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccccn2)C12CCC2 ZINC000925594373 750399111 /nfs/dbraw/zinc/39/91/11/750399111.db2.gz GOBNMPMIJCJBOQ-VXGBXAGGSA-N 2 0 274.368 1.270 10 0 CDAERP Cn1ccnc1C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000715517810 750474920 /nfs/dbraw/zinc/47/49/20/750474920.db2.gz FWNGVBRGNCYMLC-UHFFFAOYSA-N 2 0 250.390 1.773 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000852870996 750801053 /nfs/dbraw/zinc/80/10/53/750801053.db2.gz JLDIKILKJCQKPN-KBPBESRZSA-N 2 0 279.428 1.650 10 0 CDAERP CN(CCSC(F)(F)F)C1(C[NH3+])CCOCC1 ZINC000725035551 750801463 /nfs/dbraw/zinc/80/14/63/750801463.db2.gz HNOGDBAPZRXLDJ-UHFFFAOYSA-N 2 0 272.336 1.679 10 0 CDAERP C[C@H]([NH2+]CC[C@@H]1CCC2(CCOCC2)CO1)C1C[NH2+]C1 ZINC000925773747 750813353 /nfs/dbraw/zinc/81/33/53/750813353.db2.gz OXSLRYPVCXGKPM-ZFWWWQNUSA-N 2 0 282.428 1.550 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000925487968 750828940 /nfs/dbraw/zinc/82/89/40/750828940.db2.gz ABVFLPOQABOXCR-WORDMNGFSA-N 2 0 279.428 1.316 10 0 CDAERP CCO[C@H](CC[NH+](C)C)CN[C@H]1CC[NH2+]C12CCC2 ZINC000925542572 750835153 /nfs/dbraw/zinc/83/51/53/750835153.db2.gz PLIZTOFHJNKGHC-KGLIPLIRSA-N 2 0 269.433 1.217 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000848604302 750844296 /nfs/dbraw/zinc/84/42/96/750844296.db2.gz CKKZEWSQUHMSMD-IJEWVQPXSA-N 2 0 294.443 1.112 10 0 CDAERP Cc1ccccc1[C@@H](O)CNC[C@@H](O)C[NH+]1CCCCC1 ZINC000843062677 750850253 /nfs/dbraw/zinc/85/02/53/750850253.db2.gz RBLKJWOBQGQJCW-WBVHZDCISA-N 2 0 292.423 1.465 10 0 CDAERP C[NH+]1CCC(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925497626 750851942 /nfs/dbraw/zinc/85/19/42/750851942.db2.gz XKLJJGFYRUGBIZ-KGLIPLIRSA-N 3 0 253.434 1.824 10 0 CDAERP C[C@@H](CNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)[NH+]1CCCCC1 ZINC000841726286 750873589 /nfs/dbraw/zinc/87/35/89/750873589.db2.gz QYFFRUDEHWAGPT-SOUVJXGZSA-N 2 0 294.443 1.397 10 0 CDAERP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000834546963 750887900 /nfs/dbraw/zinc/88/79/00/750887900.db2.gz XOJPMRVTFLHJCD-UONOGXRCSA-N 2 0 269.433 1.613 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)[C@H](O)c1ccc(F)cc1 ZINC000817913667 751002340 /nfs/dbraw/zinc/00/23/40/751002340.db2.gz QFEFEOMYIDEGGD-CQDKDKBSSA-N 2 0 284.375 1.591 10 0 CDAERP C[C@@H]1CCCN1C(=O)CC[N@@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC000931312667 751014194 /nfs/dbraw/zinc/01/41/94/751014194.db2.gz YCEKCTYIOGGMLF-OIISXLGYSA-N 2 0 293.455 1.661 10 0 CDAERP CC(C)[NH+]1CCN(CCCN2CC[NH2+]CCC2(C)C)CC1 ZINC000866697414 751016331 /nfs/dbraw/zinc/01/63/31/751016331.db2.gz PJIHLCIUNLRGKB-UHFFFAOYSA-N 2 0 296.503 1.476 10 0 CDAERP CC1(C)CC[C@H](C[NH2+]C[C@H](O)C[NH+]2CCCC2)OC1 ZINC000711312408 751059732 /nfs/dbraw/zinc/05/97/32/751059732.db2.gz VRWBIGQKDPOVKJ-UONOGXRCSA-N 2 0 270.417 1.238 10 0 CDAERP CC(C)C[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923501816 751143826 /nfs/dbraw/zinc/14/38/26/751143826.db2.gz VWYUESGGQGOKDA-SOUVJXGZSA-N 2 0 283.460 1.796 10 0 CDAERP C[N@H+](CCNC(=O)[C@]1(F)CC[NH2+]C1)C1CCCCC1 ZINC000165008368 751186369 /nfs/dbraw/zinc/18/63/69/751186369.db2.gz KHNOTWXKTAQXCI-AWEZNQCLSA-N 2 0 271.380 1.069 10 0 CDAERP CCCCOC[C@H](O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000227883073 751235636 /nfs/dbraw/zinc/23/56/36/751235636.db2.gz GIIIPOWFPNDCJS-TZMCWYRMSA-N 2 0 258.406 1.223 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(C[NH3+])c1 ZINC000827077104 751323421 /nfs/dbraw/zinc/32/34/21/751323421.db2.gz YHVJMXMGIQTVTD-ZDUSSCGKSA-N 2 0 275.396 1.750 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=[NH2+])Nc1ccc(CCO)cc1 ZINC000864453254 751328921 /nfs/dbraw/zinc/32/89/21/751328921.db2.gz LVWQAKHXHOKSOI-CYBMUJFWSA-N 2 0 292.427 1.888 10 0 CDAERP C[C@H](CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH+](C)C ZINC000855417701 752318134 /nfs/dbraw/zinc/31/81/34/752318134.db2.gz NIZMRJZFOGSRKE-DOMZBBRYSA-N 2 0 287.423 1.655 10 0 CDAERP O=C1OCCN1CCC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925480178 752322316 /nfs/dbraw/zinc/32/23/16/752322316.db2.gz UWWHPZUCLOKXNZ-GJZGRUSLSA-N 2 0 295.427 1.587 10 0 CDAERP Fc1cccc([C@H]2CC[N@@H+]2C[C@@H]2CC3(C[NH2+]C3)CO2)c1 ZINC000923316015 752457086 /nfs/dbraw/zinc/45/70/86/752457086.db2.gz CLXKTNSXRKBAQO-LSDHHAIUSA-N 2 0 276.355 1.951 10 0 CDAERP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H](CCO)C1CCCC1 ZINC000725086364 752632153 /nfs/dbraw/zinc/63/21/53/752632153.db2.gz WQONPMXDTLHWPE-LSDHHAIUSA-N 2 0 272.433 1.218 10 0 CDAERP CC(C)[C@@H](C[NH2+]Cc1ccnc(F)c1)N1CC[NH+](C)CC1 ZINC000858093428 752644152 /nfs/dbraw/zinc/64/41/52/752644152.db2.gz AYUVWJBWRRIBOS-OAHLLOKOSA-N 2 0 294.418 1.582 10 0 CDAERP [NH3+]C[C@H]1C[N@H+](CCCC2CC[NH2+]CC2)C[C@H]1C(F)(F)F ZINC000872149859 752708745 /nfs/dbraw/zinc/70/87/45/752708745.db2.gz RHICKQBNSFFWGL-QWHCGFSZSA-N 3 0 293.377 1.835 10 0 CDAERP C[C@@H]1CCC[N@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)[C@@H]1CC[NH3+] ZINC000724591389 752715970 /nfs/dbraw/zinc/71/59/70/752715970.db2.gz OIRAXVKPEAQIRP-UXXRCYHCSA-N 2 0 268.401 1.240 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)Nc1cccc(OCC[NH3+])c1 ZINC000841847980 752782923 /nfs/dbraw/zinc/78/29/23/752782923.db2.gz ORUBOCJGKPGTIG-SNVBAGLBSA-N 2 0 251.330 1.090 10 0 CDAERP CCN1CC[NH+](CCCC[NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925547400 752827059 /nfs/dbraw/zinc/82/70/59/752827059.db2.gz UQGVSAIVTAJRNF-MRXNPFEDSA-N 3 0 294.487 1.278 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000713008964 752835481 /nfs/dbraw/zinc/83/54/81/752835481.db2.gz MRPJRCUHUMTOSE-AWEZNQCLSA-N 2 0 283.460 1.796 10 0 CDAERP CO[C@H]1CC[C@H](C)[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000866685013 752855712 /nfs/dbraw/zinc/85/57/12/752855712.db2.gz AERKNLJYFXEESZ-HJWJTTGWSA-N 2 0 292.423 1.417 10 0 CDAERP CC1CC[NH+](CCCNC(=[NH2+])N2CCO[C@H](C)C2)CC1 ZINC000848982597 752864603 /nfs/dbraw/zinc/86/46/03/752864603.db2.gz HIUPEMXAOGQGTF-CQSZACIVSA-N 2 0 282.432 1.353 10 0 CDAERP Cc1scc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c1C ZINC000634725457 752865802 /nfs/dbraw/zinc/86/58/02/752865802.db2.gz UJMZUMORYIKHAW-HNNXBMFYSA-N 2 0 297.468 1.063 10 0 CDAERP Cc1c(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)cnn1C ZINC000925612294 752873686 /nfs/dbraw/zinc/87/36/86/752873686.db2.gz RBDVFTQGUMPPSW-QWHCGFSZSA-N 2 0 250.390 1.724 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC1 ZINC000715218985 752878628 /nfs/dbraw/zinc/87/86/28/752878628.db2.gz AHXNUAKXKZNADW-WWGRRREGSA-N 2 0 279.428 1.447 10 0 CDAERP CO[C@H]1CCC[C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)CC1 ZINC000718865433 752882834 /nfs/dbraw/zinc/88/28/34/752882834.db2.gz MICADOPMMWYNQA-KGLIPLIRSA-N 2 0 270.417 1.380 10 0 CDAERP CC1CC[NH+](CCNC(=O)[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000711277831 752892210 /nfs/dbraw/zinc/89/22/10/752892210.db2.gz CIHIUCIJBAREEE-ZDUSSCGKSA-N 2 0 267.417 1.080 10 0 CDAERP O=C1CC[N@H+](CCC2CC[NH2+]CC2)CCCCCCN1 ZINC000866683123 752896685 /nfs/dbraw/zinc/89/66/85/752896685.db2.gz ARGYZJQWXLPLIO-UHFFFAOYSA-N 2 0 281.444 1.758 10 0 CDAERP CC[NH+](CC)CCN(CC(C)C)C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870908803 752904425 /nfs/dbraw/zinc/90/44/25/752904425.db2.gz YZECJADZSZLXMJ-VYDXJSESSA-N 2 0 295.471 1.940 10 0 CDAERP CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000925334192 752920267 /nfs/dbraw/zinc/92/02/67/752920267.db2.gz KFMGDUXRSHCMLZ-KGLIPLIRSA-N 2 0 284.448 1.452 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000852832265 752967905 /nfs/dbraw/zinc/96/79/05/752967905.db2.gz JLLLAXHADOIRET-QWRGUYRKSA-N 2 0 277.359 1.111 10 0 CDAERP C([NH2+][C@H]1CC[NH2+]C12CCC2)C1CC[NH+](C2CC2)CC1 ZINC000925658869 752969066 /nfs/dbraw/zinc/96/90/66/752969066.db2.gz JTOPTYQZBIVSHS-HNNXBMFYSA-N 3 0 263.429 1.735 10 0 CDAERP CSC1(C[NH2+]C[C@@H](O)C2CC2)CC[NH+](C)CC1 ZINC000819322629 752977554 /nfs/dbraw/zinc/97/75/54/752977554.db2.gz UHAKKKFFVKNCNX-GFCCVEGCSA-N 2 0 258.431 1.174 10 0 CDAERP C[NH+](C)Cc1cc(C[NH2+][C@H]2C(=O)NCC2(C)C)ccc1F ZINC000925069137 753034575 /nfs/dbraw/zinc/03/45/75/753034575.db2.gz BHHXKKRCYSMOLW-AWEZNQCLSA-N 2 0 293.386 1.502 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+][C@H](CCO)C2CCOCC2)C12CCC2 ZINC000925639842 753050032 /nfs/dbraw/zinc/05/00/32/753050032.db2.gz NZGBBUKPRNDMBB-MCIONIFRSA-N 2 0 268.401 1.024 10 0 CDAERP C[C@@H](NCc1nc(CN(C)C)cs1)[C@@H]1CCCC[NH2+]1 ZINC000722394149 753095861 /nfs/dbraw/zinc/09/58/61/753095861.db2.gz FIVMROLSIMMRQC-YPMHNXCESA-N 2 0 282.457 1.825 10 0 CDAERP C[C@]1(C[NH+]2CCC([C@H]3CCCO3)CC2)CC[NH2+]C1 ZINC000261887277 753144629 /nfs/dbraw/zinc/14/46/29/753144629.db2.gz SGTQWYSPELIRSL-CABCVRRESA-N 2 0 252.402 1.877 10 0 CDAERP CC[C@@H]1C[C@@H](C[N@H+](C)CCOCC[NH2+]C)CCO1 ZINC000863647574 753172566 /nfs/dbraw/zinc/17/25/66/753172566.db2.gz QJXQSDBURLMOLZ-UONOGXRCSA-N 2 0 258.406 1.359 10 0 CDAERP O[C@H](C[NH2+][C@H](C1CCC1)[C@@H]1CCOC1)C[NH+]1CCCC1 ZINC000711841716 753172786 /nfs/dbraw/zinc/17/27/86/753172786.db2.gz JVURGNOVKQSWRR-BZUAXINKSA-N 2 0 282.428 1.238 10 0 CDAERP CO[C@H](C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)[C@@H]1CCOC1 ZINC000925714738 753176767 /nfs/dbraw/zinc/17/67/67/753176767.db2.gz VXRQXSCHWOTCHH-ARILJUKYSA-N 2 0 282.428 1.404 10 0 CDAERP C[C@H](N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)[C@@H]1CCC[NH2+]1 ZINC000720479944 753186702 /nfs/dbraw/zinc/18/67/02/753186702.db2.gz CLDUPHWHZOXHEV-IGQOVBAYSA-N 2 0 269.458 1.296 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1nc(CN(C)C)cs1 ZINC000722394089 753196000 /nfs/dbraw/zinc/19/60/00/753196000.db2.gz MUTOJCJMMISCLQ-NSHDSACASA-N 2 0 286.445 1.048 10 0 CDAERP CC1(C)CC[C@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925845408 753367983 /nfs/dbraw/zinc/36/79/83/753367983.db2.gz GREICQRLOHNGRZ-CQSZACIVSA-N 2 0 253.434 1.840 10 0 CDAERP CC1(C)C[NH2+]C[C@H]1C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000711375257 753368012 /nfs/dbraw/zinc/36/80/12/753368012.db2.gz DASDQZHWSDBENL-KBPBESRZSA-N 2 0 279.428 1.319 10 0 CDAERP CC1(C)[C@@H]([NH2+]CC2CCOCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925545536 753379158 /nfs/dbraw/zinc/37/91/58/753379158.db2.gz GUFQQOYDTCNTNO-RDBSUJKOSA-N 2 0 252.402 1.779 10 0 CDAERP C[NH+]1CCC(CNC(=[NH2+])NC2CCCCC2)CC1 ZINC000052048598 753389722 /nfs/dbraw/zinc/38/97/22/753389722.db2.gz HDAGXAMARDSEPM-UHFFFAOYSA-N 2 0 252.406 1.775 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@H](O)CC(C)(C)O ZINC000872200862 753441204 /nfs/dbraw/zinc/44/12/04/753441204.db2.gz LRSQBCCZSCELIZ-HUUCEWRRSA-N 2 0 286.460 1.753 10 0 CDAERP [NH3+]CC1(CC[NH2+]C2CCC3(CC2)OCCO3)CC1 ZINC000844921478 753448945 /nfs/dbraw/zinc/44/89/45/753448945.db2.gz JXCYBDZKYIRJHY-UHFFFAOYSA-N 2 0 254.374 1.391 10 0 CDAERP C/C=C(\CC)C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000855347047 753460334 /nfs/dbraw/zinc/46/03/34/753460334.db2.gz QUZFLXKCGRPFIK-PZMUVPOTSA-N 2 0 269.433 1.731 10 0 CDAERP C[NH+](C)CCCOc1cnccc1C[NH2+]C[C@H](O)C1CC1 ZINC000819316810 753461712 /nfs/dbraw/zinc/46/17/12/753461712.db2.gz USBGCWJQLXFDOV-HNNXBMFYSA-N 2 0 293.411 1.273 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2C[C@@H]3COC[C@H]3O2)C[C@@H]1C ZINC000929783020 753496889 /nfs/dbraw/zinc/49/68/89/753496889.db2.gz YDQLYGFDLIHWLS-XFIYOXNOSA-N 2 0 282.428 1.595 10 0 CDAERP CCO[C@H](CN[C@H]1CCCCC[C@H]1[NH3+])C[NH+](C)C ZINC000925838163 753520044 /nfs/dbraw/zinc/52/00/44/753520044.db2.gz KDVBOXAMJPRFJB-MCIONIFRSA-N 2 0 257.422 1.203 10 0 CDAERP O=c1[nH]c2ccccc2cc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923517470 753551226 /nfs/dbraw/zinc/55/12/26/753551226.db2.gz CRTIVTYVWRZGFN-DZGCQCFKSA-N 2 0 283.375 1.982 10 0 CDAERP CCO[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C[NH+](C)C ZINC000925839029 753614600 /nfs/dbraw/zinc/61/46/00/753614600.db2.gz OVDQBNOWSDUDSF-LVQVYYBASA-N 2 0 283.460 1.463 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000925726028 753624425 /nfs/dbraw/zinc/62/44/25/753624425.db2.gz PNDSNAKOARGRJI-XUXIUFHCSA-N 3 0 253.434 2.000 10 0 CDAERP C[C@H]1CC2(CC([NH2+]CC3(N(C)C)CCOCC3)C2)CO1 ZINC000925059993 753631799 /nfs/dbraw/zinc/63/17/99/753631799.db2.gz FMQDURFTXBQXSJ-NFOMZHRRSA-N 2 0 282.428 1.644 10 0 CDAERP C[C@@H](C[NH2+][C@H]1CCOC2(CCCC2)C1)N1CC[NH+](C)CC1 ZINC000872032875 753677331 /nfs/dbraw/zinc/67/73/31/753677331.db2.gz BIDNQLBOWXIEDY-HOTGVXAUSA-N 2 0 295.471 1.704 10 0 CDAERP Cc1cc(C)n(CC[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)n1 ZINC000709848197 753796812 /nfs/dbraw/zinc/79/68/12/753796812.db2.gz GAXQQKZHOLQYFB-HNNXBMFYSA-N 2 0 262.401 1.575 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1cccc(C(N)=O)c1 ZINC000925365805 753798574 /nfs/dbraw/zinc/79/85/74/753798574.db2.gz XRADJAOFYMKQRE-XYPWUTKMSA-N 2 0 287.407 1.258 10 0 CDAERP Cc1cccn2cc(CCNC(=[NH2+])N[C@H]3C[C@@H]3C)nc12 ZINC000864456865 753801739 /nfs/dbraw/zinc/80/17/39/753801739.db2.gz MJXOJSWTKWFCRF-AAEUAGOBSA-N 2 0 271.368 1.708 10 0 CDAERP CCCCNC(=O)CC[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872153146 1165385131 /nfs/dbraw/zinc/38/51/31/1165385131.db2.gz ZCNCFIZPMNFRRI-MNOVXSKESA-N 2 0 295.349 1.362 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC001618608661 1165638193 /nfs/dbraw/zinc/63/81/93/1165638193.db2.gz QWOWLVUBSXKHER-QWHCGFSZSA-N 2 0 255.406 1.032 10 0 CDAERP CCCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001568612615 1167539535 /nfs/dbraw/zinc/53/95/35/1167539535.db2.gz PGUCDXZUJIVXRQ-STQMWFEESA-N 2 0 255.406 1.365 10 0 CDAERP CCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001569820696 1167568438 /nfs/dbraw/zinc/56/84/38/1167568438.db2.gz UDRQMNYJBBLVFI-CABCVRRESA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)C1CC[NH+](CCCOC)CC1 ZINC001566613106 1168011157 /nfs/dbraw/zinc/01/11/57/1168011157.db2.gz FAWZKUGRBWQEDK-UHFFFAOYSA-N 2 0 299.459 1.288 10 0 CDAERP CCCCC[NH2+][C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001567050593 1168045266 /nfs/dbraw/zinc/04/52/66/1168045266.db2.gz CZOPFNTWSXWERM-ZDUSSCGKSA-N 2 0 269.433 1.613 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001483677630 912602778 /nfs/dbraw/zinc/60/27/78/912602778.db2.gz WSQRSWHDXGAVPH-QWHCGFSZSA-N 2 0 285.407 1.267 10 0 CDAERP CCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001567109239 1168564231 /nfs/dbraw/zinc/56/42/31/1168564231.db2.gz YYYMYLVDYWEVAN-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[N@H+](C)CCC ZINC001272331476 912812326 /nfs/dbraw/zinc/81/23/26/912812326.db2.gz HHXNNBOVYRHCKH-UONOGXRCSA-N 2 0 269.433 1.613 10 0 CDAERP CCC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001272474558 913180934 /nfs/dbraw/zinc/18/09/34/913180934.db2.gz HWXKYPKKBJUFQP-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001266288179 894157312 /nfs/dbraw/zinc/15/73/12/894157312.db2.gz BNTDRTLZDMGQFR-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N[C@H](C)C2=CC[NH+](C)CC2)C1 ZINC001567473189 1168790889 /nfs/dbraw/zinc/79/08/89/1168790889.db2.gz GIYJRFDGESQUMW-ZBFHGGJFSA-N 2 0 293.455 1.873 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1cccc2c1OCC2 ZINC000692979667 894338017 /nfs/dbraw/zinc/33/80/17/894338017.db2.gz LJCCFXXTOGBTPR-AWEZNQCLSA-N 2 0 264.369 1.465 10 0 CDAERP CC(C)[C@@H](CNC(=[NH2+])NC[C@@H]1CCCO1)[NH+]1CCCC1 ZINC000066245119 895821489 /nfs/dbraw/zinc/82/14/89/895821489.db2.gz ACLITFGYXCJOLI-UONOGXRCSA-N 2 0 282.432 1.190 10 0 CDAERP CC[C@@H](F)C[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001266808249 896091980 /nfs/dbraw/zinc/09/19/80/896091980.db2.gz BRAFDANVBQQJOO-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP CC(C)CC[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001480901399 896338875 /nfs/dbraw/zinc/33/88/75/896338875.db2.gz OIHNXPDLSVSRGZ-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP CCCC[NH2+][C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001266967426 896465113 /nfs/dbraw/zinc/46/51/13/896465113.db2.gz FMFPPKGHQJXDIB-LBPRGKRZSA-N 2 0 255.406 1.223 10 0 CDAERP CC(C)CC[NH2+]C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001267056420 896650491 /nfs/dbraw/zinc/65/04/91/896650491.db2.gz QUFSESSUZDNYRB-HNNXBMFYSA-N 2 0 295.471 1.812 10 0 CDAERP CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001267070684 896685676 /nfs/dbraw/zinc/68/56/76/896685676.db2.gz ORNCZFTZUXWCHR-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP CC[N@@H+](CC=C(C)C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001267242527 897303841 /nfs/dbraw/zinc/30/38/41/897303841.db2.gz PDKSTYNHFWASAJ-UHFFFAOYSA-N 2 0 281.444 1.875 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[NH+](CC2CC2)C1 ZINC001267310212 897558234 /nfs/dbraw/zinc/55/82/34/897558234.db2.gz SRKKILYAJWJIRM-CQSZACIVSA-N 2 0 267.417 1.175 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]CC2CCC2)C1 ZINC001267429337 897894153 /nfs/dbraw/zinc/89/41/53/897894153.db2.gz XUYDFFPKGJBZER-CYBMUJFWSA-N 2 0 267.417 1.176 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCNC(=O)C[NH+](C)C(C)C ZINC001480951645 898115967 /nfs/dbraw/zinc/11/59/67/898115967.db2.gz ILJMLJQVGCTLRW-ZDUSSCGKSA-N 2 0 257.422 1.421 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[NH+](CCC2CC2)C1 ZINC001481127602 898943077 /nfs/dbraw/zinc/94/30/77/898943077.db2.gz YPLIWPZHGGDQLB-OAHLLOKOSA-N 2 0 281.444 1.565 10 0 CDAERP CCC[N@H+](CCF)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001481136335 898964422 /nfs/dbraw/zinc/96/44/22/898964422.db2.gz AIXLRDMBRJBXNK-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)OCCC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001267616783 898968123 /nfs/dbraw/zinc/96/81/23/898968123.db2.gz BWSYTDCSGOBIBP-OAHLLOKOSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@@H](F)CC[NH2+]CCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001481242378 899594855 /nfs/dbraw/zinc/59/48/55/899594855.db2.gz IHROLCGRSBSGIT-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP CC/C=C\CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001267815957 899801028 /nfs/dbraw/zinc/80/10/28/899801028.db2.gz RUJOPXMSULKSKN-YOVCOIKASA-N 2 0 281.444 1.921 10 0 CDAERP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC1CCC1 ZINC001267829142 899830552 /nfs/dbraw/zinc/83/05/52/899830552.db2.gz NOCJCTQLSGVHOU-CQSZACIVSA-N 2 0 267.417 1.367 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001421742173 900819039 /nfs/dbraw/zinc/81/90/39/900819039.db2.gz LPFXIKJQVCQLKQ-TZMCWYRMSA-N 2 0 287.423 1.418 10 0 CDAERP CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CC[N@H+](C)CC ZINC001268197391 901551789 /nfs/dbraw/zinc/55/17/89/901551789.db2.gz XOWSKKXGSBPVRA-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP CC[N@H+](C)CCC(=O)NCC1C[NH+](CCC(C)(C)C)C1 ZINC001481653189 901721206 /nfs/dbraw/zinc/72/12/06/901721206.db2.gz GPDUJRNRHJSIRX-UHFFFAOYSA-N 2 0 283.460 1.812 10 0 CDAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC=C(C)C ZINC001481875908 902252144 /nfs/dbraw/zinc/25/21/44/902252144.db2.gz RDHWVYZIIHNWSF-KBPBESRZSA-N 2 0 267.417 1.389 10 0 CDAERP CC[NH2+]C/C=C/CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001268628809 902842498 /nfs/dbraw/zinc/84/24/98/902842498.db2.gz QOULPGMTYGJQGF-JARXHUJSSA-N 2 0 253.390 1.141 10 0 CDAERP CC(C)=CC[NH2+]C/C=C\CNC(=O)C[N@@H+](C)C(C)C ZINC001268630480 902845679 /nfs/dbraw/zinc/84/56/79/902845679.db2.gz LHPXQJQXBUKNMP-SREVYHEPSA-N 2 0 267.417 1.555 10 0 CDAERP CC(C)[NH2+]C[C@@H](C)NC(=O)C[C@H](C)n1ccnc1 ZINC001268665032 902926150 /nfs/dbraw/zinc/92/61/50/902926150.db2.gz YHUPNTIKAUTNGZ-NEPJUHHUSA-N 2 0 252.362 1.337 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001362080315 903177989 /nfs/dbraw/zinc/17/79/89/903177989.db2.gz WHDLCSVGDLOXFC-RRFJBIMHSA-N 2 0 283.460 1.953 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CCCF)C1CC1 ZINC001269148919 903482081 /nfs/dbraw/zinc/48/20/81/903482081.db2.gz LYRPMPOMIQTEAJ-CABCVRRESA-N 2 0 299.434 1.705 10 0 CDAERP CN(CC[NH2+]CCCC(C)(C)C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001493500770 904048929 /nfs/dbraw/zinc/04/89/29/904048929.db2.gz PUPMQRKJAFGOLW-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001280083398 904169415 /nfs/dbraw/zinc/16/94/15/904169415.db2.gz KGLIFZKDDQRMIZ-KGLIPLIRSA-N 2 0 269.433 1.421 10 0 CDAERP CCCC[NH2+]C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001270121178 904379776 /nfs/dbraw/zinc/37/97/76/904379776.db2.gz KPKJBSDSYFZENC-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP C[C@H](C(=O)N[C@@H]1C[N@H+](C)CC1(C)C)[NH+]1CCCCCC1 ZINC001363623168 904627490 /nfs/dbraw/zinc/62/74/90/904627490.db2.gz XWXRHHSOOZTASL-ZIAGYGMSSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H](C[NH2+]CCCF)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482353252 905176686 /nfs/dbraw/zinc/17/66/86/905176686.db2.gz GEDIFCJPLXKZFO-STQMWFEESA-N 2 0 273.396 1.124 10 0 CDAERP CCNC(NCC1([NH+]2CCSCC2)CCCC1)=[NH+]CC ZINC000066243039 905403483 /nfs/dbraw/zinc/40/34/83/905403483.db2.gz QUYGTQHOURJYDV-UHFFFAOYSA-N 2 0 298.500 1.923 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001270994163 905529745 /nfs/dbraw/zinc/52/97/45/905529745.db2.gz BXSLTHRTNPGREG-CHWSQXEVSA-N 2 0 287.423 1.655 10 0 CDAERP CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]CC(C)C ZINC001423053963 905873257 /nfs/dbraw/zinc/87/32/57/905873257.db2.gz AVOGIUHETMCUHD-CABCVRRESA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001271528981 906503128 /nfs/dbraw/zinc/50/31/28/906503128.db2.gz DJUFRWJIBJISPY-CABCVRRESA-N 2 0 281.444 1.731 10 0 CDAERP CC(C)=CC[NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001271923544 906984757 /nfs/dbraw/zinc/98/47/57/906984757.db2.gz WWEIUEHSSGGRHS-OAHLLOKOSA-N 2 0 293.455 1.779 10 0 CDAERP CCN(CC[NH2+]CC1CCC1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001482934549 908500788 /nfs/dbraw/zinc/50/07/88/908500788.db2.gz SMXYKRMACPIFEL-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP C[NH+](C)CC1(O)CC[NH+](C[C@@H]2CC[C@H](C3CC3)O2)CC1 ZINC000715390850 909964290 /nfs/dbraw/zinc/96/42/90/909964290.db2.gz CCFLTMBSPVJJRX-LSDHHAIUSA-N 2 0 282.428 1.333 10 0 CDAERP COC1(OC)CC[C@@H]1N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000715543524 910019210 /nfs/dbraw/zinc/01/92/10/910019210.db2.gz PIFLUPGNXGEXCO-AGIUHOORSA-N 2 0 256.390 1.600 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CCC(F)(F)F ZINC001409428419 910395298 /nfs/dbraw/zinc/39/52/98/910395298.db2.gz HUAFBKZEGBYHOR-GHMZBOCLSA-N 2 0 297.365 1.763 10 0 CDAERP CC[NH2+][C@H](C)[C@@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001409478591 910428849 /nfs/dbraw/zinc/42/88/49/910428849.db2.gz UHIGLNZHYSXBRP-CHWSQXEVSA-N 2 0 277.412 1.865 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)CC1CC(C)(C)C1 ZINC001409686301 910628914 /nfs/dbraw/zinc/62/89/14/910628914.db2.gz QTUAOLKQPGRRRP-UKRRQHHQSA-N 2 0 295.471 1.811 10 0 CDAERP O=C(C[NH+]1CCCC1)NCC1([NH2+]CC2CCCCC2)CC1 ZINC001483790351 915070498 /nfs/dbraw/zinc/07/04/98/915070498.db2.gz FWTDRVXEEVXHIL-UHFFFAOYSA-N 2 0 293.455 1.901 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+](Cc2ccsc2)C1 ZINC001484057867 915373312 /nfs/dbraw/zinc/37/33/12/915373312.db2.gz MKJJSZVVOITWIA-HNNXBMFYSA-N 2 0 295.452 1.780 10 0 CDAERP CC[NH2+]C[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001484385727 915709061 /nfs/dbraw/zinc/70/90/61/915709061.db2.gz OKYFSUSRCMKGQN-CVEARBPZSA-N 2 0 295.471 1.957 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]C/C=C/Cl)C1 ZINC001484512891 915837109 /nfs/dbraw/zinc/83/71/09/915837109.db2.gz YSXPAUBFAOITTB-VTBFOEKRSA-N 2 0 299.846 1.661 10 0 CDAERP C[N@H+](CC(=O)N1CC[C@@H](CC[NH2+]CCF)C1)C1CCC1 ZINC001484524793 915854616 /nfs/dbraw/zinc/85/46/16/915854616.db2.gz LWPZCJOGRPPDBQ-CYBMUJFWSA-N 2 0 285.407 1.268 10 0 CDAERP CC(C)OCC[NH2+][C@H](C)[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001485158245 916615281 /nfs/dbraw/zinc/61/52/81/916615281.db2.gz YDKLEWJKIWPLGM-ZIAGYGMSSA-N 2 0 299.459 1.379 10 0 CDAERP CCCCC[NH2+][C@H](C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001485213265 916677702 /nfs/dbraw/zinc/67/77/02/916677702.db2.gz CWUVWRPOHFZWQP-ZIAGYGMSSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H]1CN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](C)C[N@@H+]1C ZINC001137610900 936373825 /nfs/dbraw/zinc/37/38/25/936373825.db2.gz JPTFAJMXUFXBHW-CRWXNKLISA-N 2 0 267.417 1.268 10 0 CDAERP CC(C)C[N@H+](C)[C@@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001485373737 916908217 /nfs/dbraw/zinc/90/82/17/916908217.db2.gz VRHZWQXHYYESIZ-UONOGXRCSA-N 2 0 269.433 1.421 10 0 CDAERP CC[C@@H](C)C[N@H+](C)[C@H](C)CNC(=O)Cn1ccnc1 ZINC001485393756 916928562 /nfs/dbraw/zinc/92/85/62/916928562.db2.gz CYCDLZYJWMEVAC-CHWSQXEVSA-N 2 0 266.389 1.366 10 0 CDAERP CC(C)[NH2+]CC1(NC(=O)[C@@H]2CCC[N@@H+]2C)CCCCC1 ZINC001485448006 916983946 /nfs/dbraw/zinc/98/39/46/916983946.db2.gz HUGGRRZXUKWQHS-AWEZNQCLSA-N 2 0 281.444 1.898 10 0 CDAERP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@@H]2CCCC[C@@H]2O)CCO1 ZINC001434481095 919571008 /nfs/dbraw/zinc/57/10/08/919571008.db2.gz ZCXYRDPUDROGRK-XHSDSOJGSA-N 2 0 284.444 1.580 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001568280648 1169221339 /nfs/dbraw/zinc/22/13/39/1169221339.db2.gz ANFMWRWBGNXWRN-CABCVRRESA-N 2 0 281.444 1.873 10 0 CDAERP C([C@H]1CCCC12CCOCC2)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC001190436836 922015463 /nfs/dbraw/zinc/01/54/63/922015463.db2.gz MCCLKHRZLAHWMR-SOUVJXGZSA-N 2 0 264.413 1.735 10 0 CDAERP CC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)OCCCO1 ZINC000843341032 922808912 /nfs/dbraw/zinc/80/89/12/922808912.db2.gz YCXMXQMURKDAHB-FRRDWIJNSA-N 2 0 254.374 1.117 10 0 CDAERP C[NH+]1CCN(CCC[NH2+][C@@H]2CCCC3(CC3)C2)CC1 ZINC000708558285 923204115 /nfs/dbraw/zinc/20/41/15/923204115.db2.gz DKXKEKCZRHXDEH-OAHLLOKOSA-N 2 0 265.445 1.936 10 0 CDAERP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H](CO)Cc1ccccc1)[NH2+]2 ZINC000709414791 923215364 /nfs/dbraw/zinc/21/53/64/923215364.db2.gz BMIAEHYPVGBJOJ-UVLCOCDESA-N 2 0 274.408 1.709 10 0 CDAERP c1cc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)sn1 ZINC000709983565 923232109 /nfs/dbraw/zinc/23/21/09/923232109.db2.gz JFRDJIJUHPLLJA-GRYCIOLGSA-N 2 0 251.399 1.663 10 0 CDAERP CC(C)CC[C@@H](O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000923367688 923780300 /nfs/dbraw/zinc/78/03/00/923780300.db2.gz WLXUDLQJHLNVID-HUUCEWRRSA-N 2 0 254.418 1.859 10 0 CDAERP CC(C)[N@H+](CC1CCC1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923377815 923793184 /nfs/dbraw/zinc/79/31/84/923793184.db2.gz XWWIZAXEPCKDBH-AWEZNQCLSA-N 2 0 252.402 1.875 10 0 CDAERP CCCCC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923497696 923880468 /nfs/dbraw/zinc/88/04/68/923880468.db2.gz CIJVREVYXQSNDW-KKUMJFAQSA-N 2 0 283.460 1.988 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001568370223 1169263418 /nfs/dbraw/zinc/26/34/18/1169263418.db2.gz YWHANJILFYGQLK-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001410509829 925850419 /nfs/dbraw/zinc/85/04/19/925850419.db2.gz MMSIOKDLIRKLIP-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]C[C@@H](F)CC)C1 ZINC001442146675 937042162 /nfs/dbraw/zinc/04/21/62/937042162.db2.gz DTQCGXNLVCXPTH-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)[C@H](C(=O)NCCC[N@H+](C)C[C@@H]1CCOC1)[NH+](C)C ZINC001490270979 927066802 /nfs/dbraw/zinc/06/68/02/927066802.db2.gz LRBIRILXPCHUMT-LSDHHAIUSA-N 2 0 299.459 1.047 10 0 CDAERP CCC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001490371919 927137853 /nfs/dbraw/zinc/13/78/53/927137853.db2.gz FTKHQGQRYBRXLM-UKRRQHHQSA-N 2 0 281.444 1.707 10 0 CDAERP CCCC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001568459783 1169298627 /nfs/dbraw/zinc/29/86/27/1169298627.db2.gz VXGYMYOFCGPSHY-UONOGXRCSA-N 2 0 269.433 1.611 10 0 CDAERP CC[N@H+](C)CCN(C(=O)CC1CC[NH+](C)CC1)C(C)C ZINC001411196829 927217632 /nfs/dbraw/zinc/21/76/32/927217632.db2.gz RAQLKMZATYSKEQ-UHFFFAOYSA-N 2 0 283.460 1.907 10 0 CDAERP O=C(NC[C@H]([NH2+]CCC1CC1)C1CC1)C12CC[NH+](CC1)C2 ZINC001490728970 927300458 /nfs/dbraw/zinc/30/04/58/927300458.db2.gz QVFOKKDVWKRESS-HNNXBMFYSA-N 2 0 291.439 1.367 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000852873664 927905913 /nfs/dbraw/zinc/90/59/13/927905913.db2.gz BSTFVOAJVYBUJL-GJZGRUSLSA-N 2 0 277.412 1.287 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC/C=C\C[NH2+]CC=C(C)C)CC[N@@H+]1C ZINC001274034026 931133710 /nfs/dbraw/zinc/13/37/10/931133710.db2.gz BJGPXBGFWGOLMC-SHUKXNKTSA-N 2 0 293.455 1.945 10 0 CDAERP CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@H](C)CC[NH+](C)C ZINC001136756968 931336558 /nfs/dbraw/zinc/33/65/58/931336558.db2.gz WXZZFQALROKXCF-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP COCCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001274320027 931490565 /nfs/dbraw/zinc/49/05/65/931490565.db2.gz HEUYIYDBRSXUCN-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@H](C(=O)NC/C=C\C[NH2+]Cc1cccnc1)[NH+](C)C ZINC001274508235 931505153 /nfs/dbraw/zinc/50/51/53/931505153.db2.gz HHHUFHSHUNCKCL-IYKSTZQJSA-N 2 0 290.411 1.184 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H](C)[NH2+]CC=C(C)C ZINC001275530432 931858445 /nfs/dbraw/zinc/85/84/45/931858445.db2.gz VWHZNMVEPVJXCA-KBPBESRZSA-N 2 0 269.433 1.777 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)CC ZINC001275574636 931888268 /nfs/dbraw/zinc/88/82/68/931888268.db2.gz ZTQASMGWUJIEJH-QWHCGFSZSA-N 2 0 255.406 1.317 10 0 CDAERP CN(CCC[NH2+]CC1CC(F)(F)C1)C(=O)CC[NH+](C)C ZINC001276209639 932644203 /nfs/dbraw/zinc/64/42/03/932644203.db2.gz YJAQVCHUURAOHI-UHFFFAOYSA-N 2 0 291.386 1.422 10 0 CDAERP C[NH+](C)Cc1cc(C[NH2+][C@@H]2C(=O)NCC2(C)C)ccc1F ZINC000925069138 932849071 /nfs/dbraw/zinc/84/90/71/932849071.db2.gz BHHXKKRCYSMOLW-CQSZACIVSA-N 2 0 293.386 1.502 10 0 CDAERP Cc1nc2c(o1)CCC[C@@H]2[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000925111384 932852217 /nfs/dbraw/zinc/85/22/17/932852217.db2.gz CGZAEFGBASJVMV-LBPRGKRZSA-N 2 0 279.384 1.407 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCN2CCOCC2(C)C)C1 ZINC000925476786 932890459 /nfs/dbraw/zinc/89/04/59/932890459.db2.gz HVUXNUTZMFSGQC-UONOGXRCSA-N 2 0 283.460 1.593 10 0 CDAERP C[NH+](C)C1(CN[C@@H]2C[C@H]([NH3+])C23CCC3)Cc2ccccc2C1 ZINC000925519716 932898933 /nfs/dbraw/zinc/89/89/33/932898933.db2.gz JGHGARIIVIOYEB-DLBZAZTESA-N 2 0 299.462 1.945 10 0 CDAERP C[C@H]1[NH2+]CCC[C@H]1NC1CC([NH+]2CCCCC2)C1 ZINC000925662656 932923511 /nfs/dbraw/zinc/92/35/11/932923511.db2.gz KSBQGWICPAHHFG-XSCHDIRWSA-N 2 0 251.418 1.733 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCO[C@@H]1CC1(F)F ZINC000925714013 932931703 /nfs/dbraw/zinc/93/17/03/932931703.db2.gz ZJYCKEHENDPTFU-TZMBILIQSA-N 2 0 260.328 1.516 10 0 CDAERP C[C@H](C1CC1)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000930115588 933316815 /nfs/dbraw/zinc/31/68/15/933316815.db2.gz WPQCUOWPFOTDSC-CYBMUJFWSA-N 2 0 253.434 1.743 10 0 CDAERP C[NH+](C)C1(C)CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000931356006 933548910 /nfs/dbraw/zinc/54/89/10/933548910.db2.gz ZJYJEKFNSGVPPV-AWEZNQCLSA-N 2 0 253.434 1.887 10 0 CDAERP CC[C@@](O)(C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1)C(F)(F)F ZINC000931442936 933563926 /nfs/dbraw/zinc/56/39/26/933563926.db2.gz QJVOYIYQDHNSDW-QJPTWQEYSA-N 2 0 280.334 1.573 10 0 CDAERP CC(C)CNC(=O)C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC001119631493 937741756 /nfs/dbraw/zinc/74/17/56/937741756.db2.gz WMDQINHIYHLTRA-VXGBXAGGSA-N 2 0 255.406 1.254 10 0 CDAERP CC(C)CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001490857502 934569453 /nfs/dbraw/zinc/56/94/53/934569453.db2.gz LSQDUXJVYPCYCJ-CABCVRRESA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CCF ZINC001568631152 1169407189 /nfs/dbraw/zinc/40/71/89/1169407189.db2.gz RTLGPQIAYHJWTQ-STQMWFEESA-N 2 0 273.396 1.313 10 0 CDAERP C[N@@H+]1C[C@]23C[NH+](C[C@H](O)CC(C)(C)O)C[C@@]2(C1)CCCC3 ZINC001413090227 935898394 /nfs/dbraw/zinc/89/83/94/935898394.db2.gz FGHNUEJRDSUXLG-OIISXLGYSA-N 2 0 296.455 1.316 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cnc(CN)s1 ZINC000720246207 939694288 /nfs/dbraw/zinc/69/42/88/939694288.db2.gz FNRMUDSZHKHLQU-NSHDSACASA-N 2 0 296.440 1.596 10 0 CDAERP CC(C)[NH+]1CCC(N(C)C(=O)[C@@H](C)CC[NH+](C)C)CC1 ZINC001362033289 970797493 /nfs/dbraw/zinc/79/74/93/970797493.db2.gz QKLLSOZBDILUHC-AWEZNQCLSA-N 2 0 283.460 1.905 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@H]1CNC(=O)Cc1[nH]cnc1C ZINC001276964512 941743219 /nfs/dbraw/zinc/74/32/19/941743219.db2.gz UAUVVRQGSFVMHY-NNTXTVRGSA-N 2 0 290.411 1.807 10 0 CDAERP C[C@H]1C[C@H](C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)CCO1 ZINC001473703693 970836847 /nfs/dbraw/zinc/83/68/47/970836847.db2.gz WAJMRDUPXZWKTP-YJNKXOJESA-N 2 0 252.402 1.685 10 0 CDAERP O[C@H](C[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1)C1CC1 ZINC001473875878 970871010 /nfs/dbraw/zinc/87/10/10/970871010.db2.gz BVDMJDOFDKMHPP-OAHLLOKOSA-N 2 0 282.428 1.070 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC001362101175 970888350 /nfs/dbraw/zinc/88/83/50/970888350.db2.gz AJWITZNZNHAQGC-LBPRGKRZSA-N 2 0 287.367 1.794 10 0 CDAERP CCN(CC[NH2+]CC1CC1)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001568788633 1169476359 /nfs/dbraw/zinc/47/63/59/1169476359.db2.gz RLUITQUMEFNHEX-UHFFFAOYSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1[NH2+]CCC1CC1 ZINC001281459068 942579448 /nfs/dbraw/zinc/57/94/48/942579448.db2.gz SITSECPUXDPGRD-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001362132723 970925908 /nfs/dbraw/zinc/92/59/08/970925908.db2.gz VRPXOGUUVFVQKG-VDERGJSUSA-N 2 0 293.455 1.706 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001284209927 943109857 /nfs/dbraw/zinc/10/98/57/943109857.db2.gz KQKUYNBYSMOOJQ-OLZOCXBDSA-N 2 0 255.406 1.221 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]CCF)C(C)(C)C)C1 ZINC001284652025 943233943 /nfs/dbraw/zinc/23/39/43/943233943.db2.gz DCYBBBUSCRTGSC-NEPJUHHUSA-N 2 0 273.396 1.028 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC(C)C)[C@@H]1C)[NH+](C)C ZINC001264168450 944092014 /nfs/dbraw/zinc/09/20/14/944092014.db2.gz VPAWIDZXNHVRQD-HZSPNIEDSA-N 2 0 269.433 1.562 10 0 CDAERP CC[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)CC1CCC1 ZINC001265130819 944243043 /nfs/dbraw/zinc/24/30/43/944243043.db2.gz DINYRENWQYHOEY-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CCC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001265360487 944358488 /nfs/dbraw/zinc/35/84/88/944358488.db2.gz MKMUAURYYBILSC-UONOGXRCSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC1=CCCCC1 ZINC001265758320 944492899 /nfs/dbraw/zinc/49/28/99/944492899.db2.gz ATJFDKAZOHMEDL-HIFRSBDPSA-N 2 0 279.428 1.675 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001266147360 944714763 /nfs/dbraw/zinc/71/47/63/944714763.db2.gz ZMJIYLFKWICRLH-BFHYXJOUSA-N 2 0 269.433 1.467 10 0 CDAERP CC(C)[NH2+]CCOCCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001279408442 944802441 /nfs/dbraw/zinc/80/24/41/944802441.db2.gz BWEOEGZIOXZODL-OAHLLOKOSA-N 2 0 299.459 1.332 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001479298497 971294452 /nfs/dbraw/zinc/29/44/52/971294452.db2.gz DGSDEGAVIPXOAY-MCIONIFRSA-N 2 0 299.434 1.703 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CC[C@@H](C)F)C1 ZINC001479346234 971302877 /nfs/dbraw/zinc/30/28/77/971302877.db2.gz DLYZWZFTBRVBQN-MCIONIFRSA-N 2 0 287.423 1.559 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001362535818 971378987 /nfs/dbraw/zinc/37/89/87/971378987.db2.gz QXXHPUPDMLSOMD-BYNSBNAKSA-N 2 0 281.444 1.706 10 0 CDAERP CC[N@H+](C)CCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001479802635 971428922 /nfs/dbraw/zinc/42/89/22/971428922.db2.gz VDCJOPNAWNPORF-UHFFFAOYSA-N 2 0 277.412 1.820 10 0 CDAERP CC[N@@H+]1CC[C@@](C)(NC(=O)C[C@@H](C)n2ccnc2)C1 ZINC001278427256 947917397 /nfs/dbraw/zinc/91/73/97/947917397.db2.gz QGOQZVGRQTZNLN-TZMCWYRMSA-N 2 0 264.373 1.435 10 0 CDAERP C[C@H]([NH2+]CCCF)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001279017553 948608791 /nfs/dbraw/zinc/60/87/91/948608791.db2.gz LOFBOESTDVHEIQ-KBPBESRZSA-N 2 0 299.434 1.514 10 0 CDAERP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001479968629 971516067 /nfs/dbraw/zinc/51/60/67/971516067.db2.gz FZPZUMAKWOZBDL-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP O=C(N[C@H]1C[C@H]([NH2+]CCCF)C1)C12CCC[NH+]1CCC2 ZINC001480146054 971601146 /nfs/dbraw/zinc/60/11/46/971601146.db2.gz DFDQNFMLLSOXAZ-JOCQHMNTSA-N 2 0 283.391 1.211 10 0 CDAERP CC[C@@H](F)C[NH2+][C@@H]1C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001480224030 971635848 /nfs/dbraw/zinc/63/58/48/971635848.db2.gz NFDKGLVYGNHCLM-NDBYEHHHSA-N 2 0 273.396 1.312 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001480227861 971637441 /nfs/dbraw/zinc/63/74/41/971637441.db2.gz OEXGPQMYFWQHQG-RWMBFGLXSA-N 2 0 278.400 1.625 10 0 CDAERP CCOCC[N@@H+]1CCC[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001480272489 971655813 /nfs/dbraw/zinc/65/58/13/971655813.db2.gz UFUZCJMWHQKUHO-OAHLLOKOSA-N 2 0 299.459 1.191 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CCCC1 ZINC001362875438 971685109 /nfs/dbraw/zinc/68/51/09/971685109.db2.gz VXYSJGMEIHUUHE-GJZGRUSLSA-N 2 0 293.455 1.994 10 0 CDAERP CCC[NH2+]C[C@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001480364780 971690031 /nfs/dbraw/zinc/69/00/31/971690031.db2.gz FMQGSXNCRMNETR-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001480475643 971745853 /nfs/dbraw/zinc/74/58/53/971745853.db2.gz SUXVUWIVENBQCC-ZDUSSCGKSA-N 2 0 267.417 1.531 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CCCC1 ZINC001480590557 971795853 /nfs/dbraw/zinc/79/58/53/971795853.db2.gz OLOPGJBUTJMMIW-GXTWGEPZSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)[NH2+][C@H]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001480709139 971845174 /nfs/dbraw/zinc/84/51/74/971845174.db2.gz JGWUOYXIMYSUFE-KBPBESRZSA-N 2 0 269.433 1.752 10 0 CDAERP CC(C)[NH2+][C@H](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001480763619 971870366 /nfs/dbraw/zinc/87/03/66/971870366.db2.gz KRKBVISSKKEHBF-OCCSQVGLSA-N 2 0 267.417 1.221 10 0 CDAERP C[C@@H](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CC1 ZINC001480803984 971885091 /nfs/dbraw/zinc/88/50/91/971885091.db2.gz OGQFMTKOKYGSKC-JSGCOSHPSA-N 2 0 267.417 1.223 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001493231078 971990899 /nfs/dbraw/zinc/99/08/99/971990899.db2.gz UDQYHKFQBKKIKY-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001493252820 971996049 /nfs/dbraw/zinc/99/60/49/971996049.db2.gz ADWXCWYBKKJZOA-HZPDHXFCSA-N 2 0 295.471 1.812 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]CCCF)CC1 ZINC001326541586 954426480 /nfs/dbraw/zinc/42/64/80/954426480.db2.gz WGYVWELXVBMFKR-HDJSIYSDSA-N 2 0 287.423 1.562 10 0 CDAERP CC[N@@H+]1CCN(C(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)[C@H](C)C1 ZINC001364315251 954456733 /nfs/dbraw/zinc/45/67/33/954456733.db2.gz MPDTXTPJBNTPMG-KGLIPLIRSA-N 2 0 296.459 1.595 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@@](C)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001421587610 955421178 /nfs/dbraw/zinc/42/11/78/955421178.db2.gz OWFAXVVHAFOTFJ-GOEBONIOSA-N 2 0 299.434 1.705 10 0 CDAERP CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]CCC(C)C)C1)[NH+](C)C ZINC001491835235 955460198 /nfs/dbraw/zinc/46/01/98/955460198.db2.gz WNPQUFKQIZNDPT-GJZGRUSLSA-N 2 0 283.460 1.811 10 0 CDAERP CC1CC(C[NH2+]CCN(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001493682726 972100183 /nfs/dbraw/zinc/10/01/83/972100183.db2.gz ZZSWVYQPHZCFDX-UHFFFAOYSA-N 2 0 281.444 1.422 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001492044679 955593605 /nfs/dbraw/zinc/59/36/05/955593605.db2.gz WGSQYXKQWFYDIS-LSDHHAIUSA-N 2 0 281.444 1.921 10 0 CDAERP CO[C@H](C)C[NH2+]C1(CNC(=O)C[N@H+](C)C(C)C)CCCC1 ZINC001421849214 955593570 /nfs/dbraw/zinc/59/35/70/955593570.db2.gz RXXKAAJXUPXJSP-CQSZACIVSA-N 2 0 299.459 1.380 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001329053790 955654275 /nfs/dbraw/zinc/65/42/75/955654275.db2.gz IOEYDMAWPCDAFK-KGLIPLIRSA-N 2 0 281.444 1.920 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@]2(CC[N@H+](CCCF)C2)C1 ZINC001421954088 955672235 /nfs/dbraw/zinc/67/22/35/955672235.db2.gz GLZVVRRCPMAJDQ-MRXNPFEDSA-N 2 0 299.434 1.612 10 0 CDAERP CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001421958589 955676798 /nfs/dbraw/zinc/67/67/98/955676798.db2.gz QDUADHBBGQJQPK-MRXNPFEDSA-N 2 0 293.455 1.663 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001329114482 955697230 /nfs/dbraw/zinc/69/72/30/955697230.db2.gz ZZRGYHSPZNLNEJ-STQMWFEESA-N 2 0 255.406 1.387 10 0 CDAERP CCC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001422078159 955735958 /nfs/dbraw/zinc/73/59/58/955735958.db2.gz AUKOPSCKRHMDLX-HUUCEWRRSA-N 2 0 283.460 2.000 10 0 CDAERP CCC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001422078153 955736540 /nfs/dbraw/zinc/73/65/40/955736540.db2.gz AUKOPSCKRHMDLX-CABCVRRESA-N 2 0 283.460 2.000 10 0 CDAERP CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+]C[C@@H]1CCOC1)[NH+](C)C ZINC001422157708 955797451 /nfs/dbraw/zinc/79/74/51/955797451.db2.gz QGRRSQCJIMMIGA-SOUVJXGZSA-N 2 0 299.459 1.094 10 0 CDAERP CC(C)[NH+](C)CC(=O)N(C)CC[N@@H+](C)CC[C@H](C)F ZINC001422235927 955877166 /nfs/dbraw/zinc/87/71/66/955877166.db2.gz WGUCVOBJJOLLMJ-ZDUSSCGKSA-N 2 0 275.412 1.465 10 0 CDAERP CC(C)(O)CC[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001365342286 955927732 /nfs/dbraw/zinc/92/77/32/955927732.db2.gz DBFUKDAQVUTJTH-UHFFFAOYSA-N 2 0 284.444 1.460 10 0 CDAERP COCCC[NH2+][C@@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001317274494 956013332 /nfs/dbraw/zinc/01/33/32/956013332.db2.gz FTFAHKRWNLJYKI-AWEZNQCLSA-N 2 0 299.459 1.238 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001365517262 956112650 /nfs/dbraw/zinc/11/26/50/956112650.db2.gz DURUTZRVIFBQKF-HUUCEWRRSA-N 2 0 281.444 1.565 10 0 CDAERP CCc1onc(C)c1C[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001422555025 956148447 /nfs/dbraw/zinc/14/84/47/956148447.db2.gz VWBYMLPSOJVTSZ-LLVKDONJSA-N 2 0 296.415 1.091 10 0 CDAERP C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CC1CC1 ZINC001365594741 956190002 /nfs/dbraw/zinc/19/00/02/956190002.db2.gz KAMWOHZUXOSQKU-GOEBONIOSA-N 2 0 293.455 1.566 10 0 CDAERP CCCC[NH+]1CCC2(C[C@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001366015424 956508582 /nfs/dbraw/zinc/50/85/82/956508582.db2.gz CUINCLHYCFWMIH-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP Cc1cccnc1C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001366273040 956703601 /nfs/dbraw/zinc/70/36/01/956703601.db2.gz UPFRNFQDYWSKRA-HIFRSBDPSA-N 2 0 290.411 1.079 10 0 CDAERP CC[C@H](C(=O)N[C@@]12CCC[C@@H]1[N@H+](CCCF)CC2)[NH+](C)C ZINC001423351410 956736589 /nfs/dbraw/zinc/73/65/89/956736589.db2.gz LAKPXBOALUQOFQ-IJEWVQPXSA-N 2 0 299.434 1.799 10 0 CDAERP Cn1cc(C[NH2+]CCC2CC[NH+](C)CC2)c(Cl)n1 ZINC001331033642 956776433 /nfs/dbraw/zinc/77/64/33/956776433.db2.gz VUCMFXBRBNEYRV-UHFFFAOYSA-N 2 0 270.808 1.895 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@](C)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001423588238 956887086 /nfs/dbraw/zinc/88/70/86/956887086.db2.gz PEMOSXVNNAAVDK-DOTOQJQBSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]CC[C@H]1CCCO1 ZINC001366513067 956894211 /nfs/dbraw/zinc/89/42/11/956894211.db2.gz XZUTWXWGMVUSFH-LSDHHAIUSA-N 2 0 297.443 1.136 10 0 CDAERP COCCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001316942403 956896877 /nfs/dbraw/zinc/89/68/77/956896877.db2.gz YSYMPTVFLJLXLG-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@](C)(C[NH2+]CC)C2)C1 ZINC001423624794 956908707 /nfs/dbraw/zinc/90/87/07/956908707.db2.gz DYDQDQPSYOREFV-WBVHZDCISA-N 2 0 295.471 1.957 10 0 CDAERP [NH3+]Cc1cccc2c1N(C[C@H]1CCC[NH2+]C1)CCC2 ZINC001329223376 956957458 /nfs/dbraw/zinc/95/74/58/956957458.db2.gz TWUWPKVZYPTVST-ZDUSSCGKSA-N 2 0 259.397 1.898 10 0 CDAERP C[N@H+](CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)CC1CCC1 ZINC001316824103 957046550 /nfs/dbraw/zinc/04/65/50/957046550.db2.gz OEJHMXHSPSLWNJ-INIZCTEOSA-N 2 0 293.455 1.566 10 0 CDAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]CC1CCC1 ZINC001424078516 957112210 /nfs/dbraw/zinc/11/22/10/957112210.db2.gz UUFULOWHIOKUTH-ZFWWWQNUSA-N 2 0 281.444 1.422 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001366691032 957120498 /nfs/dbraw/zinc/12/04/98/957120498.db2.gz SWKAXFARIPGBDK-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]CCCCCF ZINC001331612979 957167707 /nfs/dbraw/zinc/16/77/07/957167707.db2.gz BTPHFIHLANXXGB-AWEZNQCLSA-N 2 0 299.434 1.659 10 0 CDAERP O=C(C[NH+]1CCCC1)NCC[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001366850698 957224579 /nfs/dbraw/zinc/22/45/79/957224579.db2.gz FDVRZMCEGHQJIV-INIZCTEOSA-N 2 0 293.455 1.711 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001317116004 957281626 /nfs/dbraw/zinc/28/16/26/957281626.db2.gz GGQLTLUYXAQKDE-OKILXGFUSA-N 2 0 279.428 1.531 10 0 CDAERP CCCCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H]1C ZINC001331939935 957350204 /nfs/dbraw/zinc/35/02/04/957350204.db2.gz OKUSZCFPCMAMPN-CABCVRRESA-N 2 0 281.444 1.851 10 0 CDAERP C[C@H](NC(=O)C[N@H+](C)C1CCC1)[C@H](C)[NH2+]C/C=C/Cl ZINC001424807526 957365249 /nfs/dbraw/zinc/36/52/49/957365249.db2.gz XBQIWPOIVWPNQF-LHXDFBSTSA-N 2 0 287.835 1.706 10 0 CDAERP CC/C=C\CC[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001317242486 957373117 /nfs/dbraw/zinc/37/31/17/957373117.db2.gz QVEBJYUTEFNNKI-XQIWKARSSA-N 2 0 281.444 1.777 10 0 CDAERP CCN(C(=O)C[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CC2CC2)C1 ZINC001367076318 957388263 /nfs/dbraw/zinc/38/82/63/957388263.db2.gz IAIBJILTKFZUQW-CVEARBPZSA-N 2 0 293.455 1.661 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001317278409 957398698 /nfs/dbraw/zinc/39/86/98/957398698.db2.gz DDZJYMPANBKYMZ-OAHLLOKOSA-N 2 0 281.444 1.779 10 0 CDAERP C[C@H](F)CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001425302868 957510315 /nfs/dbraw/zinc/51/03/15/957510315.db2.gz GMEYSCQILGDGLO-QWHCGFSZSA-N 2 0 287.423 1.513 10 0 CDAERP C[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CCCF)C(C)(C)C2)CC1 ZINC001332413255 957554641 /nfs/dbraw/zinc/55/46/41/957554641.db2.gz MOHQODWJFYYHBL-AWEZNQCLSA-N 2 0 299.434 1.514 10 0 CDAERP CN(CC[NH2+]CC1CC2(CCC2)C1)C(=O)CC[NH+](C)C ZINC001317623655 957606371 /nfs/dbraw/zinc/60/63/71/957606371.db2.gz MBXJFIMPSWEMPO-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP CN(CC[NH2+]CCCC1CCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001317660589 957628232 /nfs/dbraw/zinc/62/82/32/957628232.db2.gz FCPCUPBCJIYLHA-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+]CCc1cccs1 ZINC001317666141 957631521 /nfs/dbraw/zinc/63/15/21/957631521.db2.gz UPJBXXQFTQKYFO-UHFFFAOYSA-N 2 0 297.468 1.679 10 0 CDAERP CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)C(C)C ZINC001494684949 972287043 /nfs/dbraw/zinc/28/70/43/972287043.db2.gz CVPPMPKTXCAQNK-KBPBESRZSA-N 2 0 267.417 1.412 10 0 CDAERP C(C[N@@H+]1CCCC2(CC[NH2+]CC2)C1)O[C@@H]1CCOC1 ZINC001332816873 957856029 /nfs/dbraw/zinc/85/60/29/957856029.db2.gz XWRSJMPJAQDOQP-CQSZACIVSA-N 2 0 268.401 1.258 10 0 CDAERP CC(C)C[NH2+][C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C(C)C ZINC001367482200 958044732 /nfs/dbraw/zinc/04/47/32/958044732.db2.gz HLUGZUYZOATUEG-GJZGRUSLSA-N 2 0 283.460 1.715 10 0 CDAERP CC[C@H](C(=O)N(C)[C@H]1CC[N@H+](CC2CC2)C1)[NH+](C)C ZINC001494833914 972320743 /nfs/dbraw/zinc/32/07/43/972320743.db2.gz XGCWSILFYLYDFR-UONOGXRCSA-N 2 0 267.417 1.269 10 0 CDAERP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001494848652 972322871 /nfs/dbraw/zinc/32/28/71/972322871.db2.gz SLWMEJKMAGPQEI-HNNXBMFYSA-N 2 0 281.444 1.661 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H](C)C[N@H+](C)C(C)C)[NH+]1CCCC1 ZINC001367862326 958439496 /nfs/dbraw/zinc/43/94/96/958439496.db2.gz NXVYIJSXVYXHPW-HUUCEWRRSA-N 2 0 283.460 1.952 10 0 CDAERP CC[N@H+](C)CCC(=O)NCC1([NH2+]Cc2ccsc2)CC1 ZINC001368031718 958592109 /nfs/dbraw/zinc/59/21/09/958592109.db2.gz NGABPICHTLKOQQ-UHFFFAOYSA-N 2 0 295.452 1.828 10 0 CDAERP CC/C=C/CC[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001319575644 958637604 /nfs/dbraw/zinc/63/76/04/958637604.db2.gz YWDGXAPPKZKFSV-LLYBFZRZSA-N 2 0 281.444 1.875 10 0 CDAERP CC(C)[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001319694517 958692467 /nfs/dbraw/zinc/69/24/67/958692467.db2.gz GSJKNUGNBDBLTQ-QWHCGFSZSA-N 2 0 255.406 1.173 10 0 CDAERP CCC1([NH2+]CCF)CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001368601486 958992849 /nfs/dbraw/zinc/99/28/49/958992849.db2.gz RTPDXHBZBWAGGN-UHFFFAOYSA-N 2 0 299.434 1.801 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CCCF ZINC001368948477 959313325 /nfs/dbraw/zinc/31/33/25/959313325.db2.gz FHKYXYHELJNIIV-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001321122817 959603666 /nfs/dbraw/zinc/60/36/66/959603666.db2.gz ZWLPFYXNELZALY-GJBLVYBDSA-N 2 0 267.417 1.389 10 0 CDAERP Cc1conc1CN[C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001369319219 959626472 /nfs/dbraw/zinc/62/64/72/959626472.db2.gz BXZNIESADQZMFQ-TZMCWYRMSA-N 2 0 294.399 1.014 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CC1CCC1 ZINC001321199418 959651056 /nfs/dbraw/zinc/65/10/56/959651056.db2.gz HNBZTTCUQFRUTJ-BWPKMQGJSA-N 2 0 279.428 1.533 10 0 CDAERP C[NH+](C)CC1(C(=O)NC/C=C/C[NH2+]CC2CCC2)CC1 ZINC001321212253 959657240 /nfs/dbraw/zinc/65/72/40/959657240.db2.gz WTELPPPDMVGQAW-ONEGZZNKSA-N 2 0 279.428 1.390 10 0 CDAERP CC[C@H](C(=O)NC/C=C/C[NH2+]CC=C(C)C)[NH+](C)C ZINC001321335474 959727252 /nfs/dbraw/zinc/72/72/52/959727252.db2.gz HIMBODKYRBNUDV-HSBSLETESA-N 2 0 267.417 1.555 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+]CC2CCC2)C1 ZINC001321391216 959765657 /nfs/dbraw/zinc/76/56/57/959765657.db2.gz BUJPYWYGVQMOBS-HSWBROFVSA-N 2 0 265.401 1.000 10 0 CDAERP CCC[NH2+]C[C@](C)(NC(=O)C[N@H+](C)C1CCC1)C1CC1 ZINC001495258657 972460134 /nfs/dbraw/zinc/46/01/34/972460134.db2.gz LXXBAIHOLMWJER-INIZCTEOSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001321637229 959882790 /nfs/dbraw/zinc/88/27/90/959882790.db2.gz JDCGNOLQUBKZAK-ZIAGYGMSSA-N 2 0 269.433 1.633 10 0 CDAERP CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]C(C)C ZINC001569340504 1169773022 /nfs/dbraw/zinc/77/30/22/1169773022.db2.gz NKOCPWRSQZXSPJ-KBPBESRZSA-N 2 0 269.433 1.563 10 0 CDAERP CC[N@H+](C)[C@H](C(=O)N[C@H](C)C[NH2+]CCF)c1ccccc1 ZINC001321710879 959916484 /nfs/dbraw/zinc/91/64/84/959916484.db2.gz VLJCXDNBVPXAAJ-HIFRSBDPSA-N 2 0 295.402 1.743 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]CCF)[NH+]1CCCC1 ZINC001321756600 959933533 /nfs/dbraw/zinc/93/35/33/959933533.db2.gz OKNOSUUSRIAYKP-CHWSQXEVSA-N 2 0 273.396 1.171 10 0 CDAERP C[C@@H](C[NH2+]CCCCCF)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001321813323 959966438 /nfs/dbraw/zinc/96/64/38/959966438.db2.gz DXAJMGYCWGPFOP-STQMWFEESA-N 2 0 273.396 1.315 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]C(C)C)C1CC1 ZINC001370205463 960021135 /nfs/dbraw/zinc/02/11/35/960021135.db2.gz RRCZNDLURFOTTQ-CVEARBPZSA-N 2 0 295.471 2.000 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1C ZINC001432588522 960117179 /nfs/dbraw/zinc/11/71/79/960117179.db2.gz VFCCBRWIQGGZMC-HUUCEWRRSA-N 2 0 293.455 1.565 10 0 CDAERP C[C@@H]1[C@H](C(=O)N(C)CCC[NH2+]CC2CC2)CC[N@@H+]1C ZINC001322511915 960245353 /nfs/dbraw/zinc/24/53/53/960245353.db2.gz MHAIDGGRTOINID-TZMCWYRMSA-N 2 0 267.417 1.175 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC1 ZINC001323000486 960400571 /nfs/dbraw/zinc/40/05/71/960400571.db2.gz NYGNURIWVMVBFY-BFHYXJOUSA-N 2 0 267.417 1.221 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CCF)C1CC1 ZINC001323081139 960437676 /nfs/dbraw/zinc/43/76/76/960437676.db2.gz NSVSHTFULCWLAI-CABCVRRESA-N 2 0 299.434 1.703 10 0 CDAERP Cc1ncc(C[NH2+][C@H](C)CNC(=O)C[N@H+](C)C(C)C)s1 ZINC001371468882 972522567 /nfs/dbraw/zinc/52/25/67/972522567.db2.gz BVAKCMKLXMBMPT-LLVKDONJSA-N 2 0 298.456 1.386 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CC[NH+](CC2CC2)C1 ZINC001418656192 960856510 /nfs/dbraw/zinc/85/65/10/960856510.db2.gz GQRUCZVWMLIIIT-HZPDHXFCSA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[C@H]([NH2+]CC2CC(C)C2)C1 ZINC001418666080 960878073 /nfs/dbraw/zinc/87/80/73/960878073.db2.gz KWGGTYKKZKHGGD-STONLHKKSA-N 2 0 295.471 1.857 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)[C@@H](C)CC[NH+](C)C ZINC001434225996 961101721 /nfs/dbraw/zinc/10/17/21/961101721.db2.gz WSWAHSGYNUMRCO-ZDUSSCGKSA-N 2 0 271.449 1.811 10 0 CDAERP CCc1nccn1CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001434356066 961193518 /nfs/dbraw/zinc/19/35/18/961193518.db2.gz NUKPNDGHKCPFBO-KGLIPLIRSA-N 2 0 290.411 1.579 10 0 CDAERP CC[C@H](C(=O)N(CC)[C@H]1CC[N@H+](CCCF)C1)[NH+](C)C ZINC001419159758 961448750 /nfs/dbraw/zinc/44/87/50/961448750.db2.gz MYMNEKKPIBFNTJ-UONOGXRCSA-N 2 0 287.423 1.609 10 0 CDAERP CC[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CCC1 ZINC001419259667 961560453 /nfs/dbraw/zinc/56/04/53/961560453.db2.gz JUVPOWUYTUMWMZ-LSDHHAIUSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCC[NH+]2CC2CC2)C1 ZINC001419612470 961867393 /nfs/dbraw/zinc/86/73/93/961867393.db2.gz YPAVKVDNFBQSPI-ZBFHGGJFSA-N 2 0 293.455 1.709 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001436365577 962210951 /nfs/dbraw/zinc/21/09/51/962210951.db2.gz NHDCLJYHGBICBV-KBXIAJHMSA-N 2 0 281.444 1.469 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]([NH2+]CC2CCC2)C2CC2)C1 ZINC001436805623 962429488 /nfs/dbraw/zinc/42/94/88/962429488.db2.gz IDYXPJBACZKRSZ-XJKSGUPXSA-N 2 0 293.455 1.613 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+](CCCF)C1 ZINC001437006177 962556123 /nfs/dbraw/zinc/55/61/23/962556123.db2.gz RDBVBDDTMYWLMN-AWEZNQCLSA-N 2 0 287.423 1.514 10 0 CDAERP O[C@@H](C[N@@H+]1CCCC2(CC[NH2+]CC2)C1)C(F)(F)F ZINC001339916163 962622467 /nfs/dbraw/zinc/62/24/67/962622467.db2.gz ZNWVWVHAJUUQPJ-JTQLQIEISA-N 2 0 266.307 1.375 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH2+]CC(C)C)C2)CC[N@@H+]1C ZINC001437304641 962794121 /nfs/dbraw/zinc/79/41/21/962794121.db2.gz OXHYVLMHQOZWEO-OWCLPIDISA-N 2 0 295.471 1.811 10 0 CDAERP CC[C@@H](F)C[NH2+][C@@H](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001437391602 962853190 /nfs/dbraw/zinc/85/31/90/962853190.db2.gz JGTGFMBOKPSQCD-UONOGXRCSA-N 2 0 299.434 1.847 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001437398363 962861924 /nfs/dbraw/zinc/86/19/24/962861924.db2.gz PCAQCNCCLXJFHG-KKUMJFAQSA-N 2 0 283.460 1.857 10 0 CDAERP Cc1ncc(C[NH2+]C[C@H](C)NC(=O)C[NH+]2CCCC2)s1 ZINC001420509768 962993626 /nfs/dbraw/zinc/99/36/26/962993626.db2.gz HNBDRZZTOUSUJJ-NSHDSACASA-N 2 0 296.440 1.142 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001437536924 963001187 /nfs/dbraw/zinc/00/11/87/963001187.db2.gz FMXBMCPWJHOKBD-AWEZNQCLSA-N 2 0 283.460 1.812 10 0 CDAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CCN(CCF)C1 ZINC001438206630 963360527 /nfs/dbraw/zinc/36/05/27/963360527.db2.gz ZDWORLDDMYWUCP-CYBMUJFWSA-N 2 0 299.434 1.799 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001438243074 963379194 /nfs/dbraw/zinc/37/91/94/963379194.db2.gz RIZDWCGZRUOBGM-KBPBESRZSA-N 2 0 287.423 1.609 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccns1 ZINC001438371923 963433257 /nfs/dbraw/zinc/43/32/57/963433257.db2.gz RVJOUIDJIOEPCO-VXGBXAGGSA-N 2 0 296.440 1.079 10 0 CDAERP C[C@]1(NC(=O)C[NH+]2CCCC2)CC[N@H+](CCC2CC2)C1 ZINC001421219682 963506664 /nfs/dbraw/zinc/50/66/64/963506664.db2.gz PKMKNQVPKFRYLG-INIZCTEOSA-N 2 0 279.428 1.463 10 0 CDAERP C[C@H](C[NH2+]Cc1ccccc1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001438642205 963509795 /nfs/dbraw/zinc/50/97/95/963509795.db2.gz ZOWKCQOPFLJAPL-ZBFHGGJFSA-N 2 0 289.423 1.717 10 0 CDAERP Cc1cc(C[NH2+]C[C@H](C)N(C)C(=O)C[NH+]2CCCC2)on1 ZINC001438722488 963535050 /nfs/dbraw/zinc/53/50/50/963535050.db2.gz NHFAABPUXOTTNG-ZDUSSCGKSA-N 2 0 294.399 1.015 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001421358359 963568871 /nfs/dbraw/zinc/56/88/71/963568871.db2.gz YKKBNVSOXIXXOR-GJZGRUSLSA-N 2 0 283.460 1.907 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001439226972 963683802 /nfs/dbraw/zinc/68/38/02/963683802.db2.gz SESFOWVWUHWYLJ-UONOGXRCSA-N 2 0 299.434 1.705 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[NH+](CCF)C2 ZINC001440111417 963928657 /nfs/dbraw/zinc/92/86/57/963928657.db2.gz NWVFORMWJNDOLX-IHRRRGAJSA-N 2 0 285.407 1.267 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@H]1CN(C)C(=O)CCC[NH+](C)C ZINC001440255480 963958086 /nfs/dbraw/zinc/95/80/86/963958086.db2.gz UDZGWVAAOWWTJJ-KGLIPLIRSA-N 2 0 287.423 1.609 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001440349674 963995073 /nfs/dbraw/zinc/99/50/73/963995073.db2.gz IDUSNBPQFLDYRF-JHJVBQTASA-N 2 0 273.396 1.171 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)OC[C@@H]1CC[NH+](C)[C@@H]1C ZINC001343999493 964207002 /nfs/dbraw/zinc/20/70/02/964207002.db2.gz KZYXHHDZZYGXBL-HZSPNIEDSA-N 2 0 268.401 1.743 10 0 CDAERP CC[NH2+][C@H](CCNC(=O)CCc1nccn1C)C(C)C ZINC001441413080 964501809 /nfs/dbraw/zinc/50/18/09/964501809.db2.gz BZUHTAZISKBOCY-CYBMUJFWSA-N 2 0 280.416 1.493 10 0 CDAERP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CC1CCC1 ZINC001441569555 964596378 /nfs/dbraw/zinc/59/63/78/964596378.db2.gz PQRAEWPBKGROSM-YCPHGPKFSA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001441866715 964759588 /nfs/dbraw/zinc/75/95/88/964759588.db2.gz FXEXNHSJFQCTAO-CHWSQXEVSA-N 2 0 285.407 1.457 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCF)[C@H]2C1 ZINC001441881557 964765951 /nfs/dbraw/zinc/76/59/51/964765951.db2.gz UORSBIRMPRHSSE-KKUMJFAQSA-N 2 0 299.434 1.514 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC001443319896 965439212 /nfs/dbraw/zinc/43/92/12/965439212.db2.gz GSDGVPAUWYHYSL-KGLIPLIRSA-N 2 0 287.423 1.467 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC1C[NH+](CCC2CC2)C1 ZINC001443478367 965488421 /nfs/dbraw/zinc/48/84/21/965488421.db2.gz FHTNBYXKNXLDBJ-OAHLLOKOSA-N 2 0 279.428 1.461 10 0 CDAERP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]C/C(Cl)=C\Cl ZINC001443981396 965698212 /nfs/dbraw/zinc/69/82/12/965698212.db2.gz CERXHEFOJMQZLV-PFEDMVJOSA-N 2 0 296.242 1.742 10 0 CDAERP CC(C)[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001444129962 965742020 /nfs/dbraw/zinc/74/20/20/965742020.db2.gz YSGXUCBZNHQDAM-GOEBONIOSA-N 2 0 281.444 1.754 10 0 CDAERP C[C@@H](C[NH2+]CC1CC(F)(F)C1)NC(=O)C[NH+]1CCCC1 ZINC001445648444 966265476 /nfs/dbraw/zinc/26/54/76/966265476.db2.gz NJHXICVPFVYORQ-NSHDSACASA-N 2 0 289.370 1.222 10 0 CDAERP CC[C@@H](C[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+](C)C(C)C)OC ZINC001446461205 966550752 /nfs/dbraw/zinc/55/07/52/966550752.db2.gz MJZLQTMDSGHKEC-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP CC[C@@H](C(=O)N[C@@]1(C)CC[N@H+](CCCO)C1)[NH+](CC)CC ZINC001446560050 966584435 /nfs/dbraw/zinc/58/44/35/966584435.db2.gz LMCGYVAHZXVNQJ-HOCLYGCPSA-N 2 0 299.459 1.070 10 0 CDAERP CCC[NH2+]CCN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC001350958561 966810642 /nfs/dbraw/zinc/81/06/42/966810642.db2.gz UIIKQMLISHASNE-LSDHHAIUSA-N 2 0 253.434 1.744 10 0 CDAERP CN(CC1([NH+](C)C)CCC1)C(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001447962065 966940796 /nfs/dbraw/zinc/94/07/96/966940796.db2.gz HDBZVBIWVACAEX-CYBMUJFWSA-N 2 0 285.407 1.363 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)CC1CC1 ZINC001448081629 966989792 /nfs/dbraw/zinc/98/97/92/966989792.db2.gz QPSXGODFWUNYCU-GUTXKFCHSA-N 2 0 281.444 1.563 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CCC1CCCC1 ZINC001448080744 966989969 /nfs/dbraw/zinc/98/99/69/966989969.db2.gz DJXWKPHPDWHYNW-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)CCC(C)(C)C ZINC001448147223 967014740 /nfs/dbraw/zinc/01/47/40/967014740.db2.gz KYLCSBOREFZHIJ-ZIAGYGMSSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC1CCC1 ZINC001448649934 967192580 /nfs/dbraw/zinc/19/25/80/967192580.db2.gz MPCXGKCBIJQLCJ-GZBFAFLISA-N 2 0 281.444 1.563 10 0 CDAERP CC[N@H+](CCNC(=O)C1([NH+](C)C)CCCC1)C(C)C ZINC001542947637 967256551 /nfs/dbraw/zinc/25/65/51/967256551.db2.gz MPMXAAAAIXEQKY-UHFFFAOYSA-N 2 0 269.433 1.707 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CCC2CC2)CN1C(=O)CCC[NH+](C)C ZINC001449035130 967342844 /nfs/dbraw/zinc/34/28/44/967342844.db2.gz UWLLPTIUVVSGIX-HIFRSBDPSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CC1CCC1 ZINC001480525380 968089243 /nfs/dbraw/zinc/08/92/43/968089243.db2.gz ILYDMWBJOWMUMH-IPYPFGDCSA-N 2 0 281.444 1.611 10 0 CDAERP COCC[C@H](C)[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001460932530 969567772 /nfs/dbraw/zinc/56/77/72/969567772.db2.gz DDLDEKFHKFQUFR-HNNXBMFYSA-N 2 0 284.444 1.724 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC001361732366 970473054 /nfs/dbraw/zinc/47/30/54/970473054.db2.gz RZXJXYQUINUNSB-JKSUJKDBSA-N 2 0 293.455 1.804 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ocnc1C)[NH+](C)C ZINC001497307308 973284547 /nfs/dbraw/zinc/28/45/47/973284547.db2.gz KEZMTRSKGCFSSS-AAEUAGOBSA-N 2 0 296.415 1.308 10 0 CDAERP C[N@H+](C/C=C\Cl)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001373278288 973343405 /nfs/dbraw/zinc/34/34/05/973343405.db2.gz KOQMKWCSNCRLGS-KUTPXYQMSA-N 2 0 299.846 1.613 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@H]1CC[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001417815188 973401795 /nfs/dbraw/zinc/40/17/95/973401795.db2.gz XWABICUZGANOGQ-VTUYONSCSA-N 2 0 299.846 1.709 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CCC(C)C)C1 ZINC001373382958 973405684 /nfs/dbraw/zinc/40/56/84/973405684.db2.gz QLLOBTSFGSPNAC-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)NC[C@@H](C)C[NH+](C)C)CC1 ZINC001417881477 973449845 /nfs/dbraw/zinc/44/98/45/973449845.db2.gz DFZHNGCEKKMGGE-CQSZACIVSA-N 2 0 283.460 1.668 10 0 CDAERP CC(C)CC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001497750137 973486888 /nfs/dbraw/zinc/48/68/88/973486888.db2.gz PQSRHPJVGBWUJA-ISZGNANSSA-N 2 0 267.417 1.246 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]CC1CC1)[NH+]1CCCC1 ZINC001497992656 973603819 /nfs/dbraw/zinc/60/38/19/973603819.db2.gz IGXAEPNQGRBIQM-HIFRSBDPSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)COCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001498060399 973653692 /nfs/dbraw/zinc/65/36/92/973653692.db2.gz QTAMHJYFPRPTRP-LSDHHAIUSA-N 2 0 299.459 1.238 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001418330922 973751963 /nfs/dbraw/zinc/75/19/63/973751963.db2.gz YGHFYHICHCTCRZ-KGLIPLIRSA-N 2 0 297.418 1.553 10 0 CDAERP CC(C)CC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001374084564 973769345 /nfs/dbraw/zinc/76/93/45/973769345.db2.gz HUJQPPLZRJTKLF-HUUCEWRRSA-N 2 0 281.444 1.517 10 0 CDAERP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1C[NH2+]CC1CC1 ZINC001374395108 973918840 /nfs/dbraw/zinc/91/88/40/973918840.db2.gz JFLALAMPAODNGZ-HIFRSBDPSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)[NH+](C)CC(=O)N[C@H](C)C[N@H+](C)C[C@@H]1CCCOC1 ZINC001498455517 973925214 /nfs/dbraw/zinc/92/52/14/973925214.db2.gz JBDPHXOZNUEMPH-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP CC[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)CCC(C)C ZINC001418570099 973976732 /nfs/dbraw/zinc/97/67/32/973976732.db2.gz HAKYDLRXOFQICO-HNNXBMFYSA-N 2 0 283.460 1.812 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@H](NC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001498771111 974056444 /nfs/dbraw/zinc/05/64/44/974056444.db2.gz SZVWLKQPKWLICO-ZIAGYGMSSA-N 2 0 299.434 1.703 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCCOC ZINC001498992684 974151857 /nfs/dbraw/zinc/15/18/57/974151857.db2.gz RGYZMBBSAUFQIN-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP Cc1ncoc1C[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001374962681 974191111 /nfs/dbraw/zinc/19/11/11/974191111.db2.gz IKYPEBPCPWACNK-FZMZJTMJSA-N 2 0 296.415 1.164 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C[N@H+](C)CCC(F)(F)F)[NH+](C)C ZINC001375053496 974242791 /nfs/dbraw/zinc/24/27/91/974242791.db2.gz HOSMEKSJJLRGKP-GHMZBOCLSA-N 2 0 297.365 1.716 10 0 CDAERP CCOCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001499458606 974256797 /nfs/dbraw/zinc/25/67/97/974256797.db2.gz IVHBTYCTCQKJON-AWEZNQCLSA-N 2 0 297.443 1.136 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001499610369 974274776 /nfs/dbraw/zinc/27/47/76/974274776.db2.gz PFRAQJYLJQCGFM-GOEBONIOSA-N 2 0 299.434 1.611 10 0 CDAERP COC[C@@H](C)[NH+]1CCC(C)(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001500013318 974354494 /nfs/dbraw/zinc/35/44/94/974354494.db2.gz UQRWFIPMXXDXFH-CQSZACIVSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001375510573 974407398 /nfs/dbraw/zinc/40/73/98/974407398.db2.gz IUYYUBGAWSKSJM-GHEOONOUSA-N 2 0 287.835 1.564 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@]1(C)CC[NH+](CC2CCC2)C1 ZINC001500293673 974412317 /nfs/dbraw/zinc/41/23/17/974412317.db2.gz YQERCKWFXSKMAJ-MRXNPFEDSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@]2(CC[NH+](CCCF)C2)C1 ZINC001375640967 974441209 /nfs/dbraw/zinc/44/12/09/974441209.db2.gz HDANCZHECTYLOI-INIZCTEOSA-N 2 0 299.434 1.611 10 0 CDAERP CC[C@H](C[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCCC2)C1)OC ZINC001375856567 974497671 /nfs/dbraw/zinc/49/76/71/974497671.db2.gz URHSVGWPPRLNSO-GDBMZVCRSA-N 2 0 297.443 1.088 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCC[NH+](CC2CC2)C1 ZINC001376065570 974551374 /nfs/dbraw/zinc/55/13/74/974551374.db2.gz UUNZUVTYCGTZHT-HZPDHXFCSA-N 2 0 293.455 1.851 10 0 CDAERP CC(C)CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001376324712 974631606 /nfs/dbraw/zinc/63/16/06/974631606.db2.gz NRQVRQQWHPLDNJ-AWEZNQCLSA-N 2 0 281.444 1.707 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]C/C=C\Cl)C1 ZINC001376350647 974637704 /nfs/dbraw/zinc/63/77/04/974637704.db2.gz BCPYZLINSWYDIJ-UIKBEFBESA-N 2 0 299.846 1.804 10 0 CDAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC1CC(C)C1 ZINC001376855541 974794816 /nfs/dbraw/zinc/79/48/16/974794816.db2.gz NXPQZLFXUWJGDY-MOKVOYLWSA-N 2 0 279.428 1.223 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001376916481 974816744 /nfs/dbraw/zinc/81/67/44/974816744.db2.gz YXLCCYNGLYOUAQ-KGLIPLIRSA-N 2 0 285.407 1.267 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H]([N@H+](C)CCC2CC2)C1 ZINC001376982693 974837964 /nfs/dbraw/zinc/83/79/64/974837964.db2.gz SRSXAAXARTYYJS-HNNXBMFYSA-N 2 0 281.444 1.661 10 0 CDAERP CC[N@H+](CCCF)CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001377317666 974972621 /nfs/dbraw/zinc/97/26/21/974972621.db2.gz UUGZOHNYJYCGIN-CABCVRRESA-N 2 0 299.434 1.801 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+](C[C@H](F)CC)C1 ZINC001377462402 975037927 /nfs/dbraw/zinc/03/79/27/975037927.db2.gz QBGCTSNPCMJVKG-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP O=C(C[NH+]1CCCC1)NCC[N@H+](CCC1CC1)C1CC1 ZINC001377564819 975076407 /nfs/dbraw/zinc/07/64/07/975076407.db2.gz AXGHOYBDKZCJTR-UHFFFAOYSA-N 2 0 279.428 1.463 10 0 CDAERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H](C)[NH2+]CC1CCCC1 ZINC001377908083 975172027 /nfs/dbraw/zinc/17/20/27/975172027.db2.gz LPRJYCKTEDZPJA-ZIAGYGMSSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)(C(=O)NCC1C[NH+](CC2CCC2)C1)[NH+]1CCCC1 ZINC001377982241 975192506 /nfs/dbraw/zinc/19/25/06/975192506.db2.gz DUVOEWKMEPHFGX-UHFFFAOYSA-N 2 0 293.455 1.709 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]CC1CCCC1 ZINC001507150830 975356688 /nfs/dbraw/zinc/35/66/88/975356688.db2.gz DAEOWVGGUNSLFQ-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP Cc1nocc1C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001507289922 975400347 /nfs/dbraw/zinc/40/03/47/975400347.db2.gz LQJHWZCMXSNHFW-GXTWGEPZSA-N 2 0 294.399 1.014 10 0 CDAERP CC(C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001378703498 975449042 /nfs/dbraw/zinc/44/90/42/975449042.db2.gz MQRMBILOBCXHLX-QKDCVEJESA-N 2 0 279.428 1.173 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001401085619 975452633 /nfs/dbraw/zinc/45/26/33/975452633.db2.gz TUBQPXVOACIQFW-MGPQQGTHSA-N 2 0 285.407 1.409 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001507404814 975455732 /nfs/dbraw/zinc/45/57/32/975455732.db2.gz WVHYHJKXSSQBHY-GJZGRUSLSA-N 2 0 293.455 1.899 10 0 CDAERP CC(C)C[NH2+]C[C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001378843854 975514941 /nfs/dbraw/zinc/51/49/41/975514941.db2.gz WCXXAARJBDIXIU-SHTZXODSSA-N 2 0 293.455 1.755 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C1CCCCC1 ZINC001378894799 975535031 /nfs/dbraw/zinc/53/50/31/975535031.db2.gz QJQIYXLULZZPNR-OAHLLOKOSA-N 2 0 281.444 1.757 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001401306668 975574483 /nfs/dbraw/zinc/57/44/83/975574483.db2.gz DOWZPTJWWGEVGX-LSDHHAIUSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]C/C=C\Cl ZINC001379000876 975586492 /nfs/dbraw/zinc/58/64/92/975586492.db2.gz QQEYSTMKOJMDLE-ACVFHECNSA-N 2 0 299.846 1.565 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)NCC1=CC[N@H+](CC)CC1 ZINC001508207279 975639784 /nfs/dbraw/zinc/63/97/84/975639784.db2.gz RJUXKYGAFHYEAR-CQSZACIVSA-N 2 0 285.407 1.435 10 0 CDAERP CCC[N@@H+]1CC[C@@H](N(CC)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001405185681 975663321 /nfs/dbraw/zinc/66/33/21/975663321.db2.gz PBOFDHVDFCYZBU-LSDHHAIUSA-N 2 0 281.444 1.661 10 0 CDAERP CC[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CC[C@@H](C)F ZINC001405301851 975710556 /nfs/dbraw/zinc/71/05/56/975710556.db2.gz ZRFPTMAFPQAAQB-TZMCWYRMSA-N 2 0 287.423 1.561 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1ccccc1F ZINC001401671672 975780423 /nfs/dbraw/zinc/78/04/23/975780423.db2.gz PGSBZFLRKDWODJ-CYBMUJFWSA-N 2 0 295.402 1.760 10 0 CDAERP CC(C)C[C@@H](C)C[NH2+]C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001401716667 975825610 /nfs/dbraw/zinc/82/56/10/975825610.db2.gz IMEWJCXYVDPDLQ-CABCVRRESA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)C[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001405847389 975904180 /nfs/dbraw/zinc/90/41/80/975904180.db2.gz LDEKWKDHUXHYME-AWEZNQCLSA-N 2 0 283.460 1.953 10 0 CDAERP O=C(NC[C@H]([NH2+]CC1CC1)C1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001389608564 975928667 /nfs/dbraw/zinc/92/86/67/975928667.db2.gz JJOMGZAVMICRMT-HOTGVXAUSA-N 2 0 291.439 1.223 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001379671654 976002104 /nfs/dbraw/zinc/00/21/04/976002104.db2.gz QJGQIHWBCVNJEM-UKRRQHHQSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H](C[N@H+](C)CC[C@H]1CCCCO1)NC(=O)CC[NH+](C)C ZINC001379743422 976049908 /nfs/dbraw/zinc/04/99/08/976049908.db2.gz PETRPSAIUSGADC-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)CCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001379788246 976074848 /nfs/dbraw/zinc/07/48/48/976074848.db2.gz WDGSODCACITBIP-GJZGRUSLSA-N 2 0 283.460 1.811 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NC2CCC([NH2+]C/C=C/Cl)CC2)C1 ZINC001398858123 976181685 /nfs/dbraw/zinc/18/16/85/976181685.db2.gz ZODOTYQVNWASNX-UTMIQNBOSA-N 2 0 299.846 1.708 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(F)cc1 ZINC001390309714 976221605 /nfs/dbraw/zinc/22/16/05/976221605.db2.gz MFZFGVXHJFUWGU-DOMZBBRYSA-N 2 0 293.386 1.514 10 0 CDAERP CC(C)C[NH2+][C@H](C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001402425394 976274843 /nfs/dbraw/zinc/27/48/43/976274843.db2.gz LGKFCNZDYLIBIL-CABCVRRESA-N 2 0 293.455 1.565 10 0 CDAERP Cc1ccc(C[NH2+][C@H](C)CNC(=O)CC[NH+](C)C)c(C)c1 ZINC001399028128 976295612 /nfs/dbraw/zinc/29/56/12/976295612.db2.gz MCMSGJMTFGRHTH-OAHLLOKOSA-N 2 0 291.439 1.849 10 0 CDAERP Cc1ccccc1C[N@@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001406653863 976335500 /nfs/dbraw/zinc/33/55/00/976335500.db2.gz LWELOHBELZGNFD-HNNXBMFYSA-N 2 0 291.439 1.883 10 0 CDAERP CC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1cncs1)[NH+](C)C ZINC001399107103 976345433 /nfs/dbraw/zinc/34/54/33/976345433.db2.gz IWYXTKJYTDVGNR-PWSUYJOCSA-N 2 0 284.429 1.078 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC001406789419 976408367 /nfs/dbraw/zinc/40/83/67/976408367.db2.gz IUEYEWHXPVBRTP-CZUORRHYSA-N 2 0 299.434 1.703 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC1CC(C)(C)C1 ZINC001402886529 976565542 /nfs/dbraw/zinc/56/55/42/976565542.db2.gz IKQBADUTWICXEU-UMVBOHGHSA-N 2 0 295.471 1.857 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CCC1CCCCC1 ZINC001390866524 976569198 /nfs/dbraw/zinc/56/91/98/976569198.db2.gz ZVWKESLDPFMKPA-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP Cc1ncoc1C[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001402913861 976585301 /nfs/dbraw/zinc/58/53/01/976585301.db2.gz ZEXWPCYTUMDOKL-WCQYABFASA-N 2 0 294.399 1.062 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1CCC[N@H+](CCCF)CC1)[NH+](C)C ZINC001380928674 976609363 /nfs/dbraw/zinc/60/93/63/976609363.db2.gz GFGAKQIAGIAXSO-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP CC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1ccsc1)[NH+](C)C ZINC001402999636 976654651 /nfs/dbraw/zinc/65/46/51/976654651.db2.gz JEIRWRCCKGRPRE-AAEUAGOBSA-N 2 0 283.441 1.683 10 0 CDAERP C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](C)[NH2+]CCC(F)(F)F ZINC001403039960 976674046 /nfs/dbraw/zinc/67/40/46/976674046.db2.gz JZTXSTAJQUIOSQ-GHMZBOCLSA-N 2 0 297.365 1.763 10 0 CDAERP CC[C@H](F)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001381199115 976713754 /nfs/dbraw/zinc/71/37/54/976713754.db2.gz GTISXZDCGHYSLM-IHRRRGAJSA-N 2 0 287.423 1.703 10 0 CDAERP C[NH+](C)CCCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCF ZINC001407661389 976728832 /nfs/dbraw/zinc/72/88/32/976728832.db2.gz LWVKAEAOLCXZNE-ZIAGYGMSSA-N 2 0 285.407 1.363 10 0 CDAERP CCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001569824134 1170007557 /nfs/dbraw/zinc/00/75/57/1170007557.db2.gz NJUMPCJFRKEPKH-HUUCEWRRSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)CC[N@H+](C)[C@@H](C)CNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001403208910 976815893 /nfs/dbraw/zinc/81/58/93/976815893.db2.gz ULIXYSLYAZEFJH-RDJZCZTQSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)[NH2+]C/C=C\Cl ZINC001381437459 976822804 /nfs/dbraw/zinc/82/28/04/976822804.db2.gz KTTLLBCFOKVLFT-VCUMLDNESA-N 2 0 285.819 1.318 10 0 CDAERP CC(C)[N@H+](C)CCCN(C)C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001407952695 976849254 /nfs/dbraw/zinc/84/92/54/976849254.db2.gz JRSKPAULWVNPPP-INIZCTEOSA-N 2 0 281.444 1.661 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)CC[C@H]1CCOC1 ZINC001381642650 976966246 /nfs/dbraw/zinc/96/62/46/976966246.db2.gz HLLUJZGFVMFUBE-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)[NH2+][C@@H](CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001381721357 976989822 /nfs/dbraw/zinc/98/98/22/976989822.db2.gz VQFKHJOIXFSGMU-GJZGRUSLSA-N 2 0 283.460 1.809 10 0 CDAERP CC[NH2+]Cc1ccc(CNC(=O)C[N@H+](C)C(C)C)cc1 ZINC001391839210 977111676 /nfs/dbraw/zinc/11/16/76/977111676.db2.gz WEPAOYCDKBMMGU-UHFFFAOYSA-N 2 0 277.412 1.753 10 0 CDAERP C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)C[NH2+]CC1CC1 ZINC001391902668 977143674 /nfs/dbraw/zinc/14/36/74/977143674.db2.gz SEVKWCQAHYLMFP-CQSZACIVSA-N 2 0 293.455 1.614 10 0 CDAERP C[C@@H]1[C@H]([NH2+]CC2CC(C)(C)C2)CCN1C(=O)CC[NH+](C)C ZINC001403736823 977167543 /nfs/dbraw/zinc/16/75/43/977167543.db2.gz BSFZKULCDFFJHN-UKRRQHHQSA-N 2 0 295.471 1.953 10 0 CDAERP CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@H+](C)CCC)C[C@@H]21 ZINC001403789393 977191518 /nfs/dbraw/zinc/19/15/18/977191518.db2.gz QDUDLBRSJFZKQM-HRCADAONSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CCC1 ZINC001392251220 977280588 /nfs/dbraw/zinc/28/05/88/977280588.db2.gz UPQUJZQCLCUTHZ-HOTGVXAUSA-N 2 0 295.471 1.859 10 0 CDAERP Cc1conc1C[NH2+]C1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001404023297 977309095 /nfs/dbraw/zinc/30/90/95/977309095.db2.gz UTOGVSBBPDSDPJ-UHFFFAOYSA-N 2 0 294.399 1.014 10 0 CDAERP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]CC1CCCC1)[NH+](C)C ZINC001392610486 977502927 /nfs/dbraw/zinc/50/29/27/977502927.db2.gz PHHHRGTYBHMUJO-DZGCQCFKSA-N 2 0 283.460 1.857 10 0 CDAERP CC1(NC(=O)C[NH+]2CCCC2)CC[NH+](CCF)CC1 ZINC001393070490 977692823 /nfs/dbraw/zinc/69/28/23/977692823.db2.gz LBYARMLSNHZOPS-UHFFFAOYSA-N 2 0 271.380 1.022 10 0 CDAERP CCC[N@H+](C)CC(=O)NC1(C[NH2+]CC(C)C)CCOCC1 ZINC001393719548 977901360 /nfs/dbraw/zinc/90/13/60/977901360.db2.gz LUFYBYBLMFDHDV-UHFFFAOYSA-N 2 0 299.459 1.239 10 0 CDAERP CC[C@@H](C(=O)N1CCC(C)([NH2+]CC(C)C)CC1)[NH+](C)C ZINC001393735341 977904620 /nfs/dbraw/zinc/90/46/20/977904620.db2.gz NJXVQUQBBXHXGT-AWEZNQCLSA-N 2 0 283.460 1.953 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C)([NH2+]CCF)CC1 ZINC001393749289 977907112 /nfs/dbraw/zinc/90/71/12/977907112.db2.gz DWZCIAYYQCKRQC-AWEZNQCLSA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)C[N@H+](C)[C@@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001394071306 978048424 /nfs/dbraw/zinc/04/84/24/978048424.db2.gz AHRSJFMESCDESN-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H](C[NH2+]CC1CC1)C1CC1 ZINC001394413909 978155060 /nfs/dbraw/zinc/15/50/60/978155060.db2.gz HMRTWFGRPOPXDX-LSDHHAIUSA-N 2 0 279.428 1.317 10 0 CDAERP CC(C)CC[NH2+]C1CC(N(C)C(=O)CCC[NH+](C)C)C1 ZINC001394861330 978287271 /nfs/dbraw/zinc/28/72/71/978287271.db2.gz XCNYAHUHOIYVLT-UHFFFAOYSA-N 2 0 283.460 1.953 10 0 CDAERP COCCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001674986767 1174054148 /nfs/dbraw/zinc/05/41/48/1174054148.db2.gz XQKVXPUJDWWSIG-ZNMIVQPWSA-N 2 0 299.459 1.190 10 0 CDAERP CCCCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001676350370 1174212517 /nfs/dbraw/zinc/21/25/17/1174212517.db2.gz DMDZCWATHVNSMK-RRFJBIMHSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NCC[NH+]1CCCCC1 ZINC001595801574 1174218080 /nfs/dbraw/zinc/21/80/80/1174218080.db2.gz ZGBDJZPUVATXEX-CYBMUJFWSA-N 2 0 255.406 1.176 10 0 CDAERP C[N@H+](CC(=O)N[C@@H]1CC[C@H](C[NH2+]CCCF)C1)C1CCC1 ZINC001676932523 1174296432 /nfs/dbraw/zinc/29/64/32/1174296432.db2.gz QIFREWIKJCUBMW-UONOGXRCSA-N 2 0 299.434 1.705 10 0 CDAERP CC(C)[C@H](C(=O)N(C)C1CC([NH2+]CCCF)C1)[NH+](C)C ZINC001677426835 1174359738 /nfs/dbraw/zinc/35/97/38/1174359738.db2.gz CHFBVNGOHZAGNC-JXQTWKCFSA-N 2 0 287.423 1.511 10 0 CDAERP CCCC[C@@H](C[NH2+]CCF)NC(=O)C12CCC[NH+]1CCC2 ZINC001570810276 1170285580 /nfs/dbraw/zinc/28/55/80/1170285580.db2.gz MEOIIVULRDBSRW-AWEZNQCLSA-N 2 0 299.434 1.849 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000585754216 342454812 /nfs/dbraw/zinc/45/48/12/342454812.db2.gz XUHCARIGZMVAHN-GFCCVEGCSA-N 2 0 281.444 1.754 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@H]1CCCC[NH+]1C ZINC000601004778 342457782 /nfs/dbraw/zinc/45/77/82/342457782.db2.gz SSORITJNYBDRGE-QLFBSQMISA-N 2 0 281.444 1.850 10 0 CDAERP CCc1nn(C)c(CC)c1C[NH2+]CCC1(C[NH3+])CC1 ZINC000650713482 398156347 /nfs/dbraw/zinc/15/63/47/398156347.db2.gz UFDNJHVZLWZRBJ-UHFFFAOYSA-N 2 0 264.417 1.764 10 0 CDAERP C[NH2+]Cc1ccccc1C[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000650720026 398160473 /nfs/dbraw/zinc/16/04/73/398160473.db2.gz CHNQRGXSRIYZSB-KGLIPLIRSA-N 3 0 261.413 1.884 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](CCc2cn(C)nn2)CC1 ZINC000625083099 342029785 /nfs/dbraw/zinc/02/97/85/342029785.db2.gz NOWNCIFSTBFFDT-UHFFFAOYSA-N 2 0 279.432 1.411 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000617014139 342607955 /nfs/dbraw/zinc/60/79/55/342607955.db2.gz GBCRWCXBMVKUNO-ZIAGYGMSSA-N 2 0 281.444 1.850 10 0 CDAERP CS[C@H]1CC[C@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000591835214 342648227 /nfs/dbraw/zinc/64/82/27/342648227.db2.gz VWLGDAQDJMKXBV-OLZOCXBDSA-N 2 0 271.474 1.496 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](C)C1 ZINC000591871886 342648897 /nfs/dbraw/zinc/64/88/97/342648897.db2.gz VFBYLTHTJABKNT-QWHCGFSZSA-N 2 0 253.390 1.071 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CC[NH+](C(C)(C)C)C1 ZINC000624338435 342156895 /nfs/dbraw/zinc/15/68/95/342156895.db2.gz XBZOEMOPEGNYRY-STQMWFEESA-N 2 0 282.432 1.253 10 0 CDAERP [NH3+]C1(CNCc2c(F)cccc2F)CCOCC1 ZINC000629388730 361892763 /nfs/dbraw/zinc/89/27/63/361892763.db2.gz WMDGNISRRAQRKH-UHFFFAOYSA-N 2 0 256.296 1.562 10 0 CDAERP COC(=O)C[C@@H]1CC[C@@H]([NH2+]C2CC([NH+](C)C)C2)[C@@H]1C ZINC000567123338 361888417 /nfs/dbraw/zinc/88/84/17/361888417.db2.gz DUFOHANXEAVADU-XPXVYLNCSA-N 2 0 268.401 1.646 10 0 CDAERP CC(C)Oc1ccccc1C[NH2+]CCOCCC[NH3+] ZINC000629397855 361928712 /nfs/dbraw/zinc/92/87/12/361928712.db2.gz DVDQNNYMXRVUHI-UHFFFAOYSA-N 2 0 266.385 1.929 10 0 CDAERP C[NH2+]CCOCC[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000629404860 361946340 /nfs/dbraw/zinc/94/63/40/361946340.db2.gz RQDRMKURAIHKCL-WBVHZDCISA-N 3 0 297.487 1.855 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN[C@@H]1CC[NH2+]C1 ZINC000629409228 361964219 /nfs/dbraw/zinc/96/42/19/361964219.db2.gz DSEMHRJUVJVWPO-CYBMUJFWSA-N 2 0 257.341 1.027 10 0 CDAERP Cc1cnn(CC[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000652349117 539039248 /nfs/dbraw/zinc/03/92/48/539039248.db2.gz ASKGZEZDUZDDIP-JYJNAYRXSA-N 2 0 292.427 1.410 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333732369 539054852 /nfs/dbraw/zinc/05/48/52/539054852.db2.gz HZKYWBPUOINZEV-ILXRZTDVSA-N 2 0 296.459 1.548 10 0 CDAERP NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000339070058 539067421 /nfs/dbraw/zinc/06/74/21/539067421.db2.gz WANOPBCDTWDHOZ-RQJABVFESA-N 2 0 265.401 1.247 10 0 CDAERP CC[C@](C)(C[NH3+])[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000669377022 539072004 /nfs/dbraw/zinc/07/20/04/539072004.db2.gz DNOOZBYDVMAGFX-HZPDHXFCSA-N 2 0 262.397 1.998 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000594293811 342888544 /nfs/dbraw/zinc/88/85/44/342888544.db2.gz WZJFOAFTRDZTCA-KFWWJZLASA-N 2 0 296.459 1.643 10 0 CDAERP COC(=O)c1cnc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)s1 ZINC000594512943 342912820 /nfs/dbraw/zinc/91/28/20/342912820.db2.gz YUSKLUKEKKIYIG-MXWKQRLJSA-N 2 0 297.424 1.921 10 0 CDAERP CC(C)C[NH+]1CCN(CC23CCC(CC2)[NH2+]3)CC1 ZINC000675056256 539083993 /nfs/dbraw/zinc/08/39/93/539083993.db2.gz NFUGKBIAVLAMIL-UHFFFAOYSA-N 2 0 251.418 1.545 10 0 CDAERP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CCCOC1 ZINC000290499402 539132356 /nfs/dbraw/zinc/13/23/56/539132356.db2.gz YCUJGZIIBZCEFO-OAHLLOKOSA-N 2 0 293.411 1.681 10 0 CDAERP Nc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cn1 ZINC000062035154 412496178 /nfs/dbraw/zinc/49/61/78/412496178.db2.gz GDJDVSKQYPJPEQ-UHFFFAOYSA-N 2 0 274.412 1.972 10 0 CDAERP C[C@H](C[NH2+][C@@H](C)CSCCF)CN1CC[NH+](C)CC1 ZINC000595009895 342989820 /nfs/dbraw/zinc/98/98/20/342989820.db2.gz DVDJZCONBZHQMY-KGLIPLIRSA-N 2 0 291.480 1.551 10 0 CDAERP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000594945553 342980044 /nfs/dbraw/zinc/98/00/44/342980044.db2.gz FMZMDEQBPRPFGZ-LEWSCRJBSA-N 2 0 273.336 1.622 10 0 CDAERP CC(C)Cc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000263154606 362036704 /nfs/dbraw/zinc/03/67/04/362036704.db2.gz DHKXVPMWYASERG-CVEARBPZSA-N 2 0 262.397 1.555 10 0 CDAERP CN(C(=O)CCC1CC[NH2+]CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000263158285 362112581 /nfs/dbraw/zinc/11/25/81/362112581.db2.gz DPLRYERZOGCVCO-OAHLLOKOSA-N 2 0 279.428 1.461 10 0 CDAERP CCOC(=O)C12CC(C1)C[N@@H+]2CC1CC[NH2+]CC1 ZINC000595888619 343181300 /nfs/dbraw/zinc/18/13/00/343181300.db2.gz YALOTHPHMXIZAH-UHFFFAOYSA-N 2 0 252.358 1.014 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H]2Cc3ccccc3CO2)C1 ZINC000629514000 362128858 /nfs/dbraw/zinc/12/88/58/362128858.db2.gz NSHFLYKABXUNQV-OAGGEKHMSA-N 2 0 260.381 1.987 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H]1[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000629514891 362130677 /nfs/dbraw/zinc/13/06/77/362130677.db2.gz VCAYWLMVESVCMP-VNQPRFMTSA-N 2 0 260.381 1.845 10 0 CDAERP Cc1cccc(C[N@@H+]2C[C@@H](CO)C3(C2)CC[NH2+]CC3)c1 ZINC000169782187 362120074 /nfs/dbraw/zinc/12/00/74/362120074.db2.gz XRXGZYJEDZHFLG-INIZCTEOSA-N 2 0 274.408 1.789 10 0 CDAERP CC[C@@H]([NH2+]CCOCC[NH2+]C)c1ccc(F)cn1 ZINC000629529621 362159056 /nfs/dbraw/zinc/15/90/56/362159056.db2.gz IVDABAIHMFROEL-GFCCVEGCSA-N 2 0 255.337 1.497 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)c1cnc(OC)c(Cl)c1 ZINC000629530894 362160058 /nfs/dbraw/zinc/16/00/58/362160058.db2.gz UNHMEOKRODHKAP-SNVBAGLBSA-N 2 0 287.791 1.630 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000629531096 362160439 /nfs/dbraw/zinc/16/04/39/362160439.db2.gz ZXDYOQJKNYOXLO-RRFJBIMHSA-N 2 0 270.417 1.407 10 0 CDAERP COc1cncc(C[NH+]2CCC3(CC[NH2+]C3)CC2)n1 ZINC000629532173 362163675 /nfs/dbraw/zinc/16/36/75/362163675.db2.gz PJFGJRJISHIYMX-UHFFFAOYSA-N 2 0 262.357 1.061 10 0 CDAERP CC(C)c1ccc(CC[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cc1 ZINC000263180853 362179142 /nfs/dbraw/zinc/17/91/42/362179142.db2.gz GSTFTHODMBNRBQ-JKSUJKDBSA-N 2 0 262.397 1.522 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N(C)CCC[NH+](C)C)CC1 ZINC000143807761 342448355 /nfs/dbraw/zinc/44/83/55/342448355.db2.gz KUIHMPRIOWEQTC-UHFFFAOYSA-N 2 0 269.433 1.517 10 0 CDAERP COC(=O)CN1CCC([NH2+]C[C@H]2CCN2C(C)(C)C)CC1 ZINC000597172132 343466747 /nfs/dbraw/zinc/46/67/47/343466747.db2.gz BBTSKMFQPZYQLL-CQSZACIVSA-N 2 0 297.443 1.086 10 0 CDAERP CSC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000598966681 343930843 /nfs/dbraw/zinc/93/08/43/343930843.db2.gz YFUVRSYJADSKHK-DGCLKSJQSA-N 2 0 260.447 1.563 10 0 CDAERP CC[N@H+](Cc1ccc(C(=O)N(C)CC[NH2+]C)cc1)C1CC1 ZINC000263243427 362380692 /nfs/dbraw/zinc/38/06/92/362380692.db2.gz MBDIQOMRMXMCSN-UHFFFAOYSA-N 2 0 289.423 1.962 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC000635727090 362462389 /nfs/dbraw/zinc/46/23/89/362462389.db2.gz GIVPCVGNKSEJEB-LSDHHAIUSA-N 2 0 281.444 1.565 10 0 CDAERP C[NH+](C)CC[C@@H](NC(=O)N[C@@H]1CCC[N@H+](C)C1)C(C)(C)C ZINC000604814847 344936904 /nfs/dbraw/zinc/93/69/04/344936904.db2.gz POMWZZOGFPTHDD-ZIAGYGMSSA-N 2 0 298.475 1.746 10 0 CDAERP CCN(C(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C)[C@@H]1CC[N@H+](C)C1 ZINC000617555932 345851869 /nfs/dbraw/zinc/85/18/69/345851869.db2.gz GIQSRWDXOKXSEA-APIJFGDWSA-N 2 0 281.444 1.800 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCN2CCCC2=O)CC1(C)C ZINC000623341386 346069874 /nfs/dbraw/zinc/06/98/74/346069874.db2.gz ZYVFVQFPNJXBGG-ZDUSSCGKSA-N 2 0 267.417 1.461 10 0 CDAERP C[C@H](CN1CCOCC1)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623358188 346086677 /nfs/dbraw/zinc/08/66/77/346086677.db2.gz SHWIEGXKDPZDRD-KGLIPLIRSA-N 2 0 269.433 1.170 10 0 CDAERP C[C@](O)(C[NH3+])CCC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000085300364 179009751 /nfs/dbraw/zinc/00/97/51/179009751.db2.gz LWAPSLUGLUPZOQ-RRFJBIMHSA-N 2 0 254.418 1.988 10 0 CDAERP CN(CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)CC(F)(F)F ZINC000623415145 346262313 /nfs/dbraw/zinc/26/23/13/346262313.db2.gz APFZQQPFMCSMJA-NSHDSACASA-N 2 0 281.366 1.943 10 0 CDAERP CC[NH+](CC)CCN(CC(C)C)C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085368424 179038061 /nfs/dbraw/zinc/03/80/61/179038061.db2.gz VWAGWYBBNANQKJ-CABCVRRESA-N 2 0 283.460 1.940 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000085369737 179039517 /nfs/dbraw/zinc/03/95/17/179039517.db2.gz PMQWWYKVYFBZMN-LSDHHAIUSA-N 2 0 281.444 1.837 10 0 CDAERP CS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000085376820 179044480 /nfs/dbraw/zinc/04/44/80/179044480.db2.gz VQDGZNVIMMDWPF-OCCSQVGLSA-N 2 0 282.409 1.307 10 0 CDAERP O=C(C[N@@H+]1CCCCC[C@H]1C1CC[NH2+]CC1)NC1CC1 ZINC000085403824 179053348 /nfs/dbraw/zinc/05/33/48/179053348.db2.gz URBJSUNOIAXFGK-HNNXBMFYSA-N 2 0 279.428 1.509 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2(C(N)=O)CCCC2)CC1(C)C ZINC000623421307 346418874 /nfs/dbraw/zinc/41/88/74/346418874.db2.gz GFFYHHAKCHVKJX-LBPRGKRZSA-N 2 0 267.417 1.495 10 0 CDAERP CC(C)c1nc2c(n1C[C@@H]1CC[N@H+](C)C1)CC[NH2+]C2 ZINC000085570460 179095945 /nfs/dbraw/zinc/09/59/45/179095945.db2.gz POVROUGLDYVGKR-GFCCVEGCSA-N 2 0 262.401 1.604 10 0 CDAERP Cc1nccn1CCCSC[C@@H]1CN(C)CCO1 ZINC000566214304 370648605 /nfs/dbraw/zinc/64/86/05/370648605.db2.gz FRKYQYOEBDOVGW-ZDUSSCGKSA-N 2 0 269.414 1.645 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612879516 347312502 /nfs/dbraw/zinc/31/25/02/347312502.db2.gz YMKXYMRKCRVVAP-UMVBOHGHSA-N 2 0 282.432 1.301 10 0 CDAERP C[N@@H+]1CCC[C@@H](N2CC[NH2+][C@H](C3CCCCC3)C2)C1 ZINC000086142275 179238088 /nfs/dbraw/zinc/23/80/88/179238088.db2.gz YOEGFXWXOODRGU-CVEARBPZSA-N 2 0 265.445 1.935 10 0 CDAERP CC[C@H]1C[NH2+][C@@H](C(C)C)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086171844 179243298 /nfs/dbraw/zinc/24/32/98/179243298.db2.gz CVCDTZRGNBWOBC-QLFBSQMISA-N 2 0 253.434 1.647 10 0 CDAERP CC[N@@H+]1CCC[C@@H](N2C[C@H](C(C)C)[NH2+]C[C@@H]2C)C1 ZINC000086172544 179244978 /nfs/dbraw/zinc/24/49/78/179244978.db2.gz BNOXQGNSVDCLRJ-RRFJBIMHSA-N 2 0 253.434 1.789 10 0 CDAERP C[C@H]1C[NH2+][C@H](C(C)(C)C)CN1C1CC[NH+](C)CC1 ZINC000086217858 179249382 /nfs/dbraw/zinc/24/93/82/179249382.db2.gz WLPQIOWEDAGHPG-JSGCOSHPSA-N 2 0 253.434 1.789 10 0 CDAERP C[C@H]1C[NH2+][C@H](c2ccccc2)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223079 179251019 /nfs/dbraw/zinc/25/10/19/179251019.db2.gz TVJJSSATBFIRJG-UXLLHSPISA-N 2 0 273.424 1.973 10 0 CDAERP C[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086223992 179253649 /nfs/dbraw/zinc/25/36/49/179253649.db2.gz HCDLHRRRKPVDAP-MCIONIFRSA-N 2 0 253.434 1.789 10 0 CDAERP CC[C@@H]1CN([C@@H]2CC[N@@H+](C3CC3)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086259641 179259361 /nfs/dbraw/zinc/25/93/61/179259361.db2.gz XUAZRDUUWRFFIN-BMFZPTHFSA-N 2 0 265.445 1.932 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)c2cccnc2)CC1(C)C ZINC000623525527 347615711 /nfs/dbraw/zinc/61/57/11/347615711.db2.gz QSFXWTQRDALGLP-GJZGRUSLSA-N 2 0 277.412 1.620 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000414692708 365932396 /nfs/dbraw/zinc/93/23/96/365932396.db2.gz KWRIXEDZOHOGPK-DLBZAZTESA-N 2 0 296.503 1.462 10 0 CDAERP CN1CCC[C@@H]1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000623634916 348495006 /nfs/dbraw/zinc/49/50/06/348495006.db2.gz HDMSOYIQRRSNIT-CQSZACIVSA-N 2 0 271.368 1.451 10 0 CDAERP C/C=C\CNC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000623639167 348721992 /nfs/dbraw/zinc/72/19/92/348721992.db2.gz CFMGMITWMVNLLC-SCOBNMCVSA-N 2 0 280.416 1.030 10 0 CDAERP CC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000043292320 348753981 /nfs/dbraw/zinc/75/39/81/348753981.db2.gz SCRVOMSZMFVGOC-CQSZACIVSA-N 2 0 296.459 1.644 10 0 CDAERP CCC[C@H]([NH2+]CCOCCC[NH3+])c1cccnc1 ZINC000629538777 362955603 /nfs/dbraw/zinc/95/56/03/362955603.db2.gz NXLCSLWCIFZJMV-AWEZNQCLSA-N 2 0 251.374 1.878 10 0 CDAERP O=C(N1CC[NH2+]CC1)N1CC[NH+](CCCC2CCC2)CC1 ZINC000629544324 362968415 /nfs/dbraw/zinc/96/84/15/362968415.db2.gz ICERUABFLKYDSI-UHFFFAOYSA-N 2 0 294.443 1.210 10 0 CDAERP O=C(CC[C@@H]1CCC[NH2+]C1)NC1CC([NH+]2CCCCC2)C1 ZINC000621660218 350698525 /nfs/dbraw/zinc/69/85/25/350698525.db2.gz CLJCDEROSDYELM-FHERZECASA-N 2 0 293.455 1.899 10 0 CDAERP CCn1nccc1CC[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000621776734 350772604 /nfs/dbraw/zinc/77/26/04/350772604.db2.gz UXDWPXIGYBCJAP-AWEZNQCLSA-N 2 0 292.427 1.133 10 0 CDAERP CCn1cc(CC[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cn1 ZINC000621776620 350773162 /nfs/dbraw/zinc/77/31/62/350773162.db2.gz QBSLZESJVXPJHK-HNNXBMFYSA-N 2 0 262.401 1.521 10 0 CDAERP CC(C)[C@@H]1CN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CC[NH2+]1 ZINC000622187468 351061216 /nfs/dbraw/zinc/06/12/16/351061216.db2.gz RNPUHYDUPMKQSV-GJZGRUSLSA-N 2 0 281.444 1.707 10 0 CDAERP O[C@H](C[NH2+]CCC[C@H]1CCCC[C@@H]1O)C[NH+]1CCCC1 ZINC000629584227 363038505 /nfs/dbraw/zinc/03/85/05/363038505.db2.gz RSLNCWZBTQKDJU-OAGGEKHMSA-N 2 0 284.444 1.364 10 0 CDAERP COc1cccc([C@H](C)[N@H+](C)CCOCC[NH3+])c1 ZINC000629577468 363036263 /nfs/dbraw/zinc/03/62/63/363036263.db2.gz ACSBEFFCVSGYMH-LBPRGKRZSA-N 2 0 252.358 1.663 10 0 CDAERP CC[NH+](CC)[C@H](C)CN[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000355296716 366051414 /nfs/dbraw/zinc/05/14/14/366051414.db2.gz ZBDRIAOXYRPJFL-MGPQQGTHSA-N 2 0 253.434 1.932 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)N(C)CC2([NH+](C)C)CCC2)C1 ZINC000189965813 363114137 /nfs/dbraw/zinc/11/41/37/363114137.db2.gz LJSMQFPXQXJTIA-AWEZNQCLSA-N 2 0 296.459 1.596 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCC1CC[NH2+]CC1)C2 ZINC000629594042 363112874 /nfs/dbraw/zinc/11/28/74/363112874.db2.gz JZVWPVMUMOPCSM-GASCZTMLSA-N 3 0 251.418 1.308 10 0 CDAERP CC(C)[NH2+]CCCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000569918947 363208954 /nfs/dbraw/zinc/20/89/54/363208954.db2.gz ZHDBIPNBOLJISG-RRFJBIMHSA-N 2 0 253.434 1.837 10 0 CDAERP C1=C(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)COCC1 ZINC000629651440 363256549 /nfs/dbraw/zinc/25/65/49/363256549.db2.gz GJDZQFCACZRHTD-LSDHHAIUSA-N 2 0 250.386 1.797 10 0 CDAERP C[C@]1(CN2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC[NH2+]C1 ZINC000629654166 363255314 /nfs/dbraw/zinc/25/53/14/363255314.db2.gz MXMGZGDMFKVSFE-SRVKXCTJSA-N 2 0 279.350 1.445 10 0 CDAERP COc1cc(C[NH2+]CCOCCC[NH3+])ccc1C ZINC000629677970 363327233 /nfs/dbraw/zinc/32/72/33/363327233.db2.gz JPZYTZYLMRSPCM-UHFFFAOYSA-N 2 0 252.358 1.459 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000336317223 363350868 /nfs/dbraw/zinc/35/08/68/363350868.db2.gz PZKJOULKUPCGHF-UHFFFAOYSA-N 2 0 273.380 1.361 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](C)CCF ZINC001660408374 1172212587 /nfs/dbraw/zinc/21/25/87/1172212587.db2.gz FOCLWVNAUNNEKI-ZDUSSCGKSA-N 2 0 273.396 1.268 10 0 CDAERP CCC[NH+](CCC)CCCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000417470118 283213228 /nfs/dbraw/zinc/21/32/28/283213228.db2.gz RLRCZHNRSPVJAI-LSDHHAIUSA-N 2 0 298.475 1.796 10 0 CDAERP C[N@H+]1CC=C(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000371506334 356876059 /nfs/dbraw/zinc/87/60/59/356876059.db2.gz QNOCAAGIYOLOQQ-MJBXVCDLSA-N 2 0 250.386 1.651 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000584102735 357153632 /nfs/dbraw/zinc/15/36/32/357153632.db2.gz JKBCHCJUBVIYLZ-XSCHDIRWSA-N 2 0 294.443 1.301 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@H]1CCCCCC[C@H]1[NH3+])C2 ZINC000634750199 358234400 /nfs/dbraw/zinc/23/44/00/358234400.db2.gz PMNKPUAKSATBKD-HDEZJCGLSA-N 2 0 293.455 1.742 10 0 CDAERP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCC2(C[NH3+])CC2)[C@H]1C ZINC000593318241 358611359 /nfs/dbraw/zinc/61/13/59/358611359.db2.gz BVTCFGDENSRDKB-RWMBFGLXSA-N 2 0 268.401 1.683 10 0 CDAERP CC(C)[C@@H](C)NC(=O)C1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261872732 359072900 /nfs/dbraw/zinc/07/29/00/359072900.db2.gz PHHSEKOCUIKCFK-RHSMWYFYSA-N 2 0 295.471 1.859 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc(C[NH3+])cc1 ZINC000045663176 359160238 /nfs/dbraw/zinc/16/02/38/359160238.db2.gz BQMOLJJTHDLWEP-GFCCVEGCSA-N 2 0 263.385 1.605 10 0 CDAERP C[C@H](C[NH2+][C@H](C1CC1)[C@@H]1CNCCO1)C[NH+]1CCCCC1 ZINC000422717811 359651585 /nfs/dbraw/zinc/65/15/85/359651585.db2.gz WIAIMHAAQNWAOX-HYVNUMGLSA-N 2 0 295.471 1.465 10 0 CDAERP CCOc1cccc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])c1 ZINC000423002914 359746992 /nfs/dbraw/zinc/74/69/92/359746992.db2.gz ZWJLMANWHZYEMO-KBRIMQKVSA-N 2 0 292.423 1.970 10 0 CDAERP CC[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)C1CC1 ZINC000423506413 359827990 /nfs/dbraw/zinc/82/79/90/359827990.db2.gz IVIHNIICVPGUQA-GPANFISMSA-N 2 0 265.445 1.981 10 0 CDAERP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cccnc1 ZINC000423511096 359832483 /nfs/dbraw/zinc/83/24/83/359832483.db2.gz NECVCCQFIZWWGB-OOHWJJMZSA-N 2 0 288.439 1.949 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)NCC[NH+]1CCCOCC1 ZINC000356843017 366586458 /nfs/dbraw/zinc/58/64/58/366586458.db2.gz SSDHJIZEHMFQOO-OAHLLOKOSA-N 2 0 297.443 1.089 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+][C@@H]2CC[C@H]2C(C)(C)C)CC1 ZINC000348102891 359836076 /nfs/dbraw/zinc/83/60/76/359836076.db2.gz BAUOFYYVOFABOH-CHWSQXEVSA-N 2 0 254.418 1.857 10 0 CDAERP OC[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccnc1 ZINC000348209634 359881891 /nfs/dbraw/zinc/88/18/91/359881891.db2.gz ZKIAYARHGMGWMB-HRCADAONSA-N 2 0 275.396 1.374 10 0 CDAERP CC(C)[NH+]1CCC(N2CC[NH+](CC3(O)CCC3)CC2)CC1 ZINC000336844015 359912782 /nfs/dbraw/zinc/91/27/82/359912782.db2.gz YLMTYHNNQJTZOO-UHFFFAOYSA-N 2 0 295.471 1.392 10 0 CDAERP CC(C)(C)[C@H](O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000336847500 359917539 /nfs/dbraw/zinc/91/75/39/359917539.db2.gz WKSVCHKVKMAUIU-MRXNPFEDSA-N 2 0 298.471 1.828 10 0 CDAERP Cc1ncc(C[NH2+]CC2CC[NH+](CCN(C)C)CC2)cn1 ZINC000356916226 366631522 /nfs/dbraw/zinc/63/15/22/366631522.db2.gz KUCVMSBLECBPFA-UHFFFAOYSA-N 2 0 291.443 1.148 10 0 CDAERP CC[N@@H+]1CC[C@@H](C[NH2+]C2CC(CC(=O)OC)C2)C1 ZINC000424265264 359983667 /nfs/dbraw/zinc/98/36/67/359983667.db2.gz JRCCAUQXDKJLKQ-HIFPTAJRSA-N 2 0 254.374 1.260 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000336531691 283528129 /nfs/dbraw/zinc/52/81/29/283528129.db2.gz IRQBECFWKRQMEJ-MRXNPFEDSA-N 2 0 287.407 1.750 10 0 CDAERP C[NH+]1CCC(C(=O)N2CCc3ccccc3[C@H]2C[NH3+])CC1 ZINC000335428671 360167919 /nfs/dbraw/zinc/16/79/19/360167919.db2.gz KIPARUKGVHFXAN-MRXNPFEDSA-N 2 0 287.407 1.413 10 0 CDAERP Cc1cc(C[C@H](C)[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)[nH]n1 ZINC000090533089 360216914 /nfs/dbraw/zinc/21/69/14/360216914.db2.gz UOOFNIJGGGTIDS-TZQJONAQSA-N 2 0 264.417 1.967 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC2(C[NH+](C)C)CCCC2)CC[N@@H+]1C ZINC000632459262 360320356 /nfs/dbraw/zinc/32/03/56/360320356.db2.gz CBHQRDQUZODGCI-LSDHHAIUSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H]1C[N@@H+](CCCCNC(=O)[C@@H]2CC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000165560045 363726602 /nfs/dbraw/zinc/72/66/02/363726602.db2.gz BPRVGGJEHYWMCN-BARDWOONSA-N 2 0 297.443 1.119 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000156146194 360545009 /nfs/dbraw/zinc/54/50/09/360545009.db2.gz ZUFBRAFRIVNNGP-JKSUJKDBSA-N 2 0 293.455 1.946 10 0 CDAERP O=S1(=O)CCC[C@H]([NH2+][C@@H]2CCN3CCCC[C@@H]23)CC1 ZINC000634952477 360546107 /nfs/dbraw/zinc/54/61/07/360546107.db2.gz AANDATRSCQSTDU-MJBXVCDLSA-N 2 0 286.441 1.170 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000626945845 360689152 /nfs/dbraw/zinc/68/91/52/360689152.db2.gz MQDUCFIDQFVUNW-AYDFFVQHSA-N 2 0 296.459 1.547 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000626952523 360697738 /nfs/dbraw/zinc/69/77/38/360697738.db2.gz RTFVNALZJGSUSJ-QWHCGFSZSA-N 2 0 282.432 1.301 10 0 CDAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000246224507 360811646 /nfs/dbraw/zinc/81/16/46/360811646.db2.gz HCYJWCCGWNYSLA-IHRRRGAJSA-N 2 0 267.417 1.304 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000349386584 360843597 /nfs/dbraw/zinc/84/35/97/360843597.db2.gz ZYIGGKAOBWGHQP-HUUCEWRRSA-N 2 0 298.475 1.890 10 0 CDAERP [NH3+][C@H](CC1CCCCC1)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000335052290 283616097 /nfs/dbraw/zinc/61/60/97/283616097.db2.gz NBNXUIRUVPZURK-WBVHZDCISA-N 2 0 293.455 1.886 10 0 CDAERP C[C@H]1CCC[N@H+](CCNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC000635314205 361127905 /nfs/dbraw/zinc/12/79/05/361127905.db2.gz VBKOCYLZOHEJTH-YNEHKIRRSA-N 2 0 276.384 1.361 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)[C@H]2CCC[C@@H]21 ZINC000643535743 361210903 /nfs/dbraw/zinc/21/09/03/361210903.db2.gz IJPJAVYIWSQJTQ-CBBWQLFWSA-N 2 0 263.429 1.591 10 0 CDAERP C[NH+](C)C[C@H]1CCN(C(=O)c2ccc(C[NH3+])cc2)C1 ZINC000519600607 361373695 /nfs/dbraw/zinc/37/36/95/361373695.db2.gz RMNWDXDPKLTURU-CYBMUJFWSA-N 2 0 261.369 1.169 10 0 CDAERP COc1ncc(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)c(C)n1 ZINC000339436844 361505649 /nfs/dbraw/zinc/50/56/49/361505649.db2.gz IIFHKROCENMGRE-INIZCTEOSA-N 2 0 290.411 1.711 10 0 CDAERP CC[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H](C)[NH2+]1 ZINC000636231011 363816195 /nfs/dbraw/zinc/81/61/95/363816195.db2.gz VOSXKAUMLSNXPI-QWHCGFSZSA-N 2 0 269.433 1.563 10 0 CDAERP C[C@H]([NH3+])CCC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000248846148 364300344 /nfs/dbraw/zinc/30/03/44/364300344.db2.gz HTTYFWRMYPZARU-STQMWFEESA-N 2 0 269.433 1.741 10 0 CDAERP COC[C@@H](C)C[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000187749956 364815455 /nfs/dbraw/zinc/81/54/55/364815455.db2.gz QMBCXKJJKALOJY-AWEZNQCLSA-N 2 0 280.412 1.999 10 0 CDAERP COCC[NH2+]C1CC[NH+](C[C@H]2CCSC2)CC1 ZINC000580202286 364876971 /nfs/dbraw/zinc/87/69/71/364876971.db2.gz DGLIAJIIQNDZGH-GFCCVEGCSA-N 2 0 258.431 1.440 10 0 CDAERP Cn1cc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@H]([NH3+])C3)C2)cn1 ZINC000580212597 364914063 /nfs/dbraw/zinc/91/40/63/364914063.db2.gz RRBMNLRHQZSGIP-MJBXVCDLSA-N 2 0 277.416 1.248 10 0 CDAERP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000414351006 241163906 /nfs/dbraw/zinc/16/39/06/241163906.db2.gz QZSBTKGEHKYUNV-XPKDYRNWSA-N 2 0 277.387 1.944 10 0 CDAERP CC[C@H]1C[C@H](C[NH2+]CCCN2CC[NH2+]CC2)CCO1 ZINC000414783156 241384196 /nfs/dbraw/zinc/38/41/96/241384196.db2.gz PYHZZAZBKLEJJH-CABCVRRESA-N 2 0 269.433 1.077 10 0 CDAERP c1cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)n(-c2ccccc2)n1 ZINC000414833253 367075263 /nfs/dbraw/zinc/07/52/63/367075263.db2.gz PPONYEIQIOLBCP-AWEZNQCLSA-N 2 0 270.380 1.962 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000626969743 367105629 /nfs/dbraw/zinc/10/56/29/367105629.db2.gz FJSVWVCHYBKFGF-RBSFLKMASA-N 2 0 296.459 1.547 10 0 CDAERP CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000626997908 367219294 /nfs/dbraw/zinc/21/92/94/367219294.db2.gz FYROULJOOMZQGI-MCIONIFRSA-N 2 0 282.432 1.301 10 0 CDAERP CCn1ccnc1[C@H](C)NC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627053147 367310105 /nfs/dbraw/zinc/31/01/05/367310105.db2.gz YSGWNIXKJWGOOL-SRVKXCTJSA-N 2 0 279.388 1.404 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000627080744 367379700 /nfs/dbraw/zinc/37/97/00/367379700.db2.gz SGZUEJBVJUFPJE-TUKIKUTGSA-N 2 0 290.411 1.646 10 0 CDAERP CCN(CCC[NH+](CC)CC)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000230712267 367532641 /nfs/dbraw/zinc/53/26/41/367532641.db2.gz RLJNBVXVGJWDAR-ZIAGYGMSSA-N 2 0 269.433 1.422 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000234723120 367620080 /nfs/dbraw/zinc/62/00/80/367620080.db2.gz UHTSQCQIPGIXBA-HUUCEWRRSA-N 3 0 271.449 1.452 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000417000554 242258583 /nfs/dbraw/zinc/25/85/83/242258583.db2.gz CZNBYHVADYDTJX-UPJWGTAASA-N 2 0 270.421 1.109 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000417009908 242267441 /nfs/dbraw/zinc/26/74/41/242267441.db2.gz OADBPFJJYSWBAR-MGPQQGTHSA-N 2 0 284.448 1.486 10 0 CDAERP C[C@@H](CNC(=O)N1CC[C@H]([NH3+])[C@@H]1C)[N@@H+]1CCC[C@H](C)C1 ZINC000417016617 242270989 /nfs/dbraw/zinc/27/09/89/242270989.db2.gz ODCNOZVLHPEWKL-XUXIUFHCSA-N 2 0 282.432 1.238 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000417046169 242290243 /nfs/dbraw/zinc/29/02/43/242290243.db2.gz PABOHBACTKFUSV-KKUMJFAQSA-N 2 0 296.459 1.772 10 0 CDAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000627201252 367695079 /nfs/dbraw/zinc/69/50/79/367695079.db2.gz YIANWUQBUFEGLZ-RDBSUJKOSA-N 2 0 282.432 1.110 10 0 CDAERP CCN(CCC[NH+](CC)CC)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627202406 367695946 /nfs/dbraw/zinc/69/59/46/367695946.db2.gz IYHNFBITZTVHOF-GJZGRUSLSA-N 2 0 298.475 1.890 10 0 CDAERP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(S(N)(=O)=O)cc1 ZINC000222931382 299378366 /nfs/dbraw/zinc/37/83/66/299378366.db2.gz RURSQWULQAFBKR-CYZMBNFOSA-N 2 0 297.424 1.255 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000627226875 367773591 /nfs/dbraw/zinc/77/35/91/367773591.db2.gz UFVBOCUOSFQGPH-ILXRZTDVSA-N 2 0 294.443 1.112 10 0 CDAERP CC(C)C[C@H](CNC(=O)C1=CC[C@@H]([NH3+])C1)[NH+](C)C ZINC000638058980 367890900 /nfs/dbraw/zinc/89/09/00/367890900.db2.gz DEPCKVLDRSYFKG-CHWSQXEVSA-N 2 0 253.390 1.126 10 0 CDAERP O=C([C@H]1CCC[NH2+]C1)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000167770521 296110944 /nfs/dbraw/zinc/11/09/44/296110944.db2.gz MLSQECODLZLTEH-GJZGRUSLSA-N 2 0 279.428 1.463 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418424245 243059502 /nfs/dbraw/zinc/05/95/02/243059502.db2.gz GPHTYJJPYIIUDF-HNNXBMFYSA-N 2 0 292.427 1.670 10 0 CDAERP CCCC[C@@H](C[NH3+])NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000418438917 243078881 /nfs/dbraw/zinc/07/88/81/243078881.db2.gz FIVFIYJBNIMXSI-GXTWGEPZSA-N 2 0 282.432 1.382 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000418466411 243111508 /nfs/dbraw/zinc/11/15/08/243111508.db2.gz RIISNCYZVGVXIG-GLQYFDAESA-N 2 0 290.411 1.775 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000418585694 243241058 /nfs/dbraw/zinc/24/10/58/243241058.db2.gz DTIHZSRXTZWPSL-RDBSUJKOSA-N 2 0 282.432 1.110 10 0 CDAERP C[C@H]1C[C@@H](C(=O)Nc2ccnn2CC[NH+](C)C)CC[N@@H+]1C ZINC000294094761 370940974 /nfs/dbraw/zinc/94/09/74/370940974.db2.gz OAUBRSMQJWLRFE-STQMWFEESA-N 2 0 293.415 1.114 10 0 CDAERP CC(C)[N@H+](C)CCCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC000542782224 368820562 /nfs/dbraw/zinc/82/05/62/368820562.db2.gz ONVXJJCWVUEMLQ-UHFFFAOYSA-N 2 0 292.427 1.754 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)COCC2CC2)[C@H]2CCC[C@@H]21 ZINC000353493927 368857260 /nfs/dbraw/zinc/85/72/60/368857260.db2.gz AXHNHWUNHOWWOZ-FZKCQIBNSA-N 2 0 282.428 1.236 10 0 CDAERP CN(CCC(=O)N(C)[C@H]1CCC[N@H+](C)C1)c1cc[nH+]cc1 ZINC000543715096 368956525 /nfs/dbraw/zinc/95/65/25/368956525.db2.gz ZFAGSZCGCVNSJD-HNNXBMFYSA-N 2 0 290.411 1.461 10 0 CDAERP C[NH+](C)CCN(Cc1ccccc1)C(=O)CCC1C[NH2+]C1 ZINC000638270076 369021936 /nfs/dbraw/zinc/02/19/36/369021936.db2.gz ABTURBVYHJUCLQ-UHFFFAOYSA-N 2 0 289.423 1.576 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000115796847 369209089 /nfs/dbraw/zinc/20/90/89/369209089.db2.gz ZACPPYXFAUBDFD-CABCVRRESA-N 2 0 298.475 1.700 10 0 CDAERP [NH3+]Cc1cccc(-n2cc([C@@H]([NH3+])C3CCOCC3)nn2)c1 ZINC000630607328 369380815 /nfs/dbraw/zinc/38/08/15/369380815.db2.gz GVMLNYFJJFXXQG-HNNXBMFYSA-N 2 0 287.367 1.152 10 0 CDAERP C[C@H]1CCC[N@H+](CCNC(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000170829652 369499431 /nfs/dbraw/zinc/49/94/31/369499431.db2.gz BLMXKLCKOKDBIY-KBPBESRZSA-N 2 0 282.432 1.064 10 0 CDAERP Cc1nn(C)c(Cl)c1C[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000370729203 370139678 /nfs/dbraw/zinc/13/96/78/370139678.db2.gz HAXQJQMUUFYBOQ-SECBINFHSA-N 2 0 279.775 1.752 10 0 CDAERP COC[C@H](C)C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000249992040 370190503 /nfs/dbraw/zinc/19/05/03/370190503.db2.gz ZYCKUBFRZRKUOH-KGLIPLIRSA-N 2 0 258.406 1.095 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)NCCC1(C[NH3+])CC1 ZINC000652127805 412782664 /nfs/dbraw/zinc/78/26/64/412782664.db2.gz CZIPEBPTUMKUGX-ZDUSSCGKSA-N 2 0 282.432 1.289 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000418197008 370278796 /nfs/dbraw/zinc/27/87/96/370278796.db2.gz IPXAFBGCLVRUCL-DZGCQCFKSA-N 2 0 296.459 1.643 10 0 CDAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H](O)C(F)F ZINC000300554194 370299964 /nfs/dbraw/zinc/29/99/64/370299964.db2.gz DSDMJHSDFHNYGM-VWYCJHECSA-N 2 0 250.333 1.513 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCCCC[N@H+](C)C1CC1 ZINC000418266226 370372616 /nfs/dbraw/zinc/37/26/16/370372616.db2.gz MXGMHPBEJAYHMP-TZMCWYRMSA-N 2 0 282.432 1.158 10 0 CDAERP CC(=O)Nc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000414933937 370559056 /nfs/dbraw/zinc/55/90/56/370559056.db2.gz AARSAZHUYWHXJN-ABAIWWIYSA-N 2 0 261.369 1.733 10 0 CDAERP COCC[N@@H+]1CCC[C@@H]1CN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422717638 245175247 /nfs/dbraw/zinc/17/52/47/245175247.db2.gz VVWCQYPPWSUWIC-XYPHTWIQSA-N 2 0 289.423 1.832 10 0 CDAERP C[C@H]([NH2+]C1CCN(c2ccccc2)CC1)C1C[NH2+]C1 ZINC000422728649 245186058 /nfs/dbraw/zinc/18/60/58/245186058.db2.gz AMDKQHCVXYBGEM-ZDUSSCGKSA-N 2 0 259.397 1.853 10 0 CDAERP CCOCC[C@@H](O)C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000567697426 371106033 /nfs/dbraw/zinc/10/60/33/371106033.db2.gz XTIUIGOUSJGLKF-CQSZACIVSA-N 2 0 263.341 1.211 10 0 CDAERP CC[C@@H]1CCC[C@@H]1C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000567697927 371106597 /nfs/dbraw/zinc/10/65/97/371106597.db2.gz QINNDJKZYVKBIP-OAGGEKHMSA-N 2 0 283.460 1.011 10 0 CDAERP CC[C@H]([NH2+][C@H](CCC[NH3+])COC)c1ccncc1 ZINC000422777137 245245731 /nfs/dbraw/zinc/24/57/31/245245731.db2.gz FKNUNWIOVOROKI-KGLIPLIRSA-N 2 0 251.374 1.876 10 0 CDAERP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCCC1(C[NH3+])CC1 ZINC000652137340 412787520 /nfs/dbraw/zinc/78/75/20/412787520.db2.gz HRUAPCSMKUYFBB-UONOGXRCSA-N 2 0 296.459 1.535 10 0 CDAERP C[C@@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)C1C[NH2+]C1 ZINC000422870884 245358095 /nfs/dbraw/zinc/35/80/95/245358095.db2.gz CKLIBTULDKJZTI-ZYHUDNBSSA-N 2 0 280.803 1.511 10 0 CDAERP C[C@H](NC(=O)CC[C@@H]1CCCC[N@@H+]1C)[C@@H]1CCC[NH2+]C1 ZINC000567834820 371166453 /nfs/dbraw/zinc/16/64/53/371166453.db2.gz GSFKDWHBCPDIDP-ZNMIVQPWSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)(C)N1CC[C@@H]([N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)C1=O ZINC000569233103 371245269 /nfs/dbraw/zinc/24/52/69/371245269.db2.gz OTHOVQOWFOYBMF-CHWSQXEVSA-N 2 0 290.411 1.989 10 0 CDAERP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)C(=O)NC(C)(C)C ZINC000572630471 371262265 /nfs/dbraw/zinc/26/22/65/371262265.db2.gz URFLCZWFZFOHQV-SDDRHHMPSA-N 2 0 255.406 1.267 10 0 CDAERP CC[NH+](CC)CCCNC(=O)N1CC[NH+]2CCC1CC2 ZINC000376822121 371349225 /nfs/dbraw/zinc/34/92/25/371349225.db2.gz HRJNUWQFHGFCEG-UHFFFAOYSA-N 2 0 282.432 1.208 10 0 CDAERP C[C@H]1CC[N@H+](CCNC(=O)[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000573850509 371682128 /nfs/dbraw/zinc/68/21/28/371682128.db2.gz QUUCUOKRCKTZMQ-QWHCGFSZSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)[NH+]1CCC(N2C[C@@H](C)[C@](C)(C[NH3+])C2)CC1 ZINC000335349893 371797704 /nfs/dbraw/zinc/79/77/04/371797704.db2.gz XJKMZKJKZDWFLJ-UKRRQHHQSA-N 3 0 253.434 1.776 10 0 CDAERP CC[NH2+][C@H](C)CNC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000578191019 372337671 /nfs/dbraw/zinc/33/76/71/372337671.db2.gz MUAXUAGCILRWKH-IUODEOHRSA-N 2 0 290.411 1.252 10 0 CDAERP C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000333491151 205370318 /nfs/dbraw/zinc/37/03/18/205370318.db2.gz CLCYIYFBGSAPTG-RTXFEEFZSA-N 2 0 253.390 1.008 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000341055440 373250727 /nfs/dbraw/zinc/25/07/27/373250727.db2.gz QYCBZRADAYTZPV-RDBSUJKOSA-N 2 0 284.448 1.451 10 0 CDAERP C[C@H]([NH2+]C1CCC(C(N)=O)CC1)[C@H]1CCCC[NH2+]1 ZINC000386460492 373391598 /nfs/dbraw/zinc/39/15/98/373391598.db2.gz PDJZGHRNASNEPZ-YWPUVAFDSA-N 2 0 253.390 1.151 10 0 CDAERP CN(CC[NH2+][C@H]1CCC[NH2+]CC1)Cc1ccccc1 ZINC000386857532 373447284 /nfs/dbraw/zinc/44/72/84/373447284.db2.gz JAASRPJZSYJSLY-INIZCTEOSA-N 2 0 261.413 1.850 10 0 CDAERP CC[C@H](COC)[NH2+][C@@H]1CCO[C@H](c2cncn2C)C1 ZINC000328626641 374724206 /nfs/dbraw/zinc/72/42/06/374724206.db2.gz FHVFGDIMWVWCTF-BZPMIXESSA-N 2 0 267.373 1.655 10 0 CDAERP C[C@@H]1C[N@H+](C)C[C@@H]1NCCC[NH+]1CCCC[C@@H]1C ZINC000343083525 374894916 /nfs/dbraw/zinc/89/49/16/374894916.db2.gz MFUUUMDKWNNANQ-ILXRZTDVSA-N 2 0 253.434 1.791 10 0 CDAERP C[C@H]1CC[C@]2(CC[N@H+](CC(=O)N3CCN(C)CC3)C2)C1 ZINC000334336991 374923277 /nfs/dbraw/zinc/92/32/77/374923277.db2.gz UPGDMADKJYKVET-HOCLYGCPSA-N 2 0 279.428 1.273 10 0 CDAERP C[C@@H](NC(=O)N1CC[NH+]2CCC1CC2)C1=CC[N@H+](C)CC1 ZINC000334325576 374905432 /nfs/dbraw/zinc/90/54/32/374905432.db2.gz BATWWLJXGBIBLH-CYBMUJFWSA-N 2 0 292.427 1.126 10 0 CDAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1CC[NH2+]1 ZINC000638835383 375060067 /nfs/dbraw/zinc/06/00/67/375060067.db2.gz LHESGUISJWECOI-FVQBIDKESA-N 2 0 287.407 1.233 10 0 CDAERP CCN(C)C(=O)CC[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000130486781 375293562 /nfs/dbraw/zinc/29/35/62/375293562.db2.gz BXKZQUUSXRFQPA-CQSZACIVSA-N 2 0 290.411 1.684 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415993678 375516222 /nfs/dbraw/zinc/51/62/22/375516222.db2.gz FWOGXOQXWYINNN-LLVKDONJSA-N 2 0 276.384 1.752 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000426407805 247018518 /nfs/dbraw/zinc/01/85/18/247018518.db2.gz WXYNQFPXMHCOCX-FMKPAKJESA-N 2 0 293.455 1.992 10 0 CDAERP C[N@H+]1C[C@@H]2C[NH+](C[C@@H](O)Cc3ccccc3)C[C@@H]2C1 ZINC000193623185 375881062 /nfs/dbraw/zinc/88/10/62/375881062.db2.gz YYJHADKCJCBGEU-XHSDSOJGSA-N 2 0 260.381 1.083 10 0 CDAERP CCC[C@@H](O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062034427 375868764 /nfs/dbraw/zinc/86/87/64/375868764.db2.gz OYLDZUNTGYDBLC-OAHLLOKOSA-N 2 0 254.418 1.955 10 0 CDAERP Cc1cncn1CC(=O)NCCc1cn2c(cccc2C)n1 ZINC000627979403 375930094 /nfs/dbraw/zinc/93/00/94/375930094.db2.gz QWJCSHQIYFEDER-UHFFFAOYSA-N 2 0 297.362 1.507 10 0 CDAERP C(C[N@@H+]1CCC[C@H]2COCC[C@H]21)[C@@H]1CCC[NH2+]C1 ZINC000420303818 376325527 /nfs/dbraw/zinc/32/55/27/376325527.db2.gz NPBMSIGAFYJQCQ-SOUVJXGZSA-N 2 0 252.402 1.877 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)CCC2C[NH2+]C2)CC1 ZINC000638981578 376335334 /nfs/dbraw/zinc/33/53/34/376335334.db2.gz UTQLKSAQNMCEIB-UHFFFAOYSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@@H]1CCC[N@H+](C[C@@H]2CCc3ncnn32)[C@H]1CC[NH3+] ZINC000631829375 376667627 /nfs/dbraw/zinc/66/76/27/376667627.db2.gz OYQURGWTRWYCTM-AGIUHOORSA-N 2 0 263.389 1.215 10 0 CDAERP [NH3+]CCC1CCN(Cc2nc(C3CCC3)no2)CC1 ZINC000631829168 376665342 /nfs/dbraw/zinc/66/53/42/376665342.db2.gz JCLOHZDAJVNAGT-UHFFFAOYSA-N 2 0 264.373 1.898 10 0 CDAERP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCCCC[C@@H]([NH3+])C1 ZINC000631835190 376679047 /nfs/dbraw/zinc/67/90/47/376679047.db2.gz OHYYUPYBSLFYFB-IKGGRYGDSA-N 2 0 291.439 1.121 10 0 CDAERP C[C@@H]1C[N@H+](Cc2cc(-c3cnn(C)c3)no2)C[C@H]1C[NH3+] ZINC000631837492 376684530 /nfs/dbraw/zinc/68/45/30/376684530.db2.gz CAFNBCKGVUGOAP-GHMZBOCLSA-N 2 0 275.356 1.102 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1CCC([NH3+])CC1 ZINC000251690882 483075486 /nfs/dbraw/zinc/07/54/86/483075486.db2.gz IICFWTFQPUHRAM-RYSNWHEDSA-N 2 0 265.401 1.199 10 0 CDAERP CC[NH+](CC)CCCN1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631891154 376786826 /nfs/dbraw/zinc/78/68/26/376786826.db2.gz WJDCXNQWNBRYFQ-LSDHHAIUSA-N 2 0 253.434 1.792 10 0 CDAERP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000334747716 377269894 /nfs/dbraw/zinc/26/98/94/377269894.db2.gz JXERUCIHPOPFNQ-ZIAGYGMSSA-N 2 0 279.428 1.223 10 0 CDAERP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000334935647 377704866 /nfs/dbraw/zinc/70/48/66/377704866.db2.gz NXBFWKLYQYNMKJ-KGLIPLIRSA-N 2 0 296.459 1.807 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC1CC([NH+]2CCCCC2)C1 ZINC000335027549 377778292 /nfs/dbraw/zinc/77/82/92/377778292.db2.gz FLBLQDHYYYLDFF-XSCHDIRWSA-N 2 0 251.418 1.591 10 0 CDAERP CN(C(=O)N[C@@H](C[NH3+])C1CCCC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000572263050 377810365 /nfs/dbraw/zinc/81/03/65/377810365.db2.gz AFKFFCMUSMRMQI-GJZGRUSLSA-N 2 0 294.443 1.382 10 0 CDAERP CC(C)C(=O)N1CCCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261752976 377896967 /nfs/dbraw/zinc/89/69/67/377896967.db2.gz KDWNWSYVNQOREA-OAHLLOKOSA-N 2 0 267.417 1.176 10 0 CDAERP O=C(c1ccc2c(c1)C[NH2+]C2)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000632860062 377938202 /nfs/dbraw/zinc/93/82/02/377938202.db2.gz DXFNNDXZUFNVSQ-ZBFHGGJFSA-N 2 0 285.391 1.504 10 0 CDAERP CCC/C=C/CC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001662303689 1172523719 /nfs/dbraw/zinc/52/37/19/1172523719.db2.gz PGGSMFBWPHGIKW-WLBISTCBSA-N 2 0 281.444 1.921 10 0 CDAERP O[C@H]([C@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1)C(F)(F)F ZINC000261787864 377904217 /nfs/dbraw/zinc/90/42/17/377904217.db2.gz FZIABGSDKYBINC-GRYCIOLGSA-N 2 0 280.334 1.621 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000137203389 378594303 /nfs/dbraw/zinc/59/43/03/378594303.db2.gz QVCDVZMHOIRPLL-HNNXBMFYSA-N 2 0 293.455 1.614 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC[NH+](C)C)OCC ZINC000440632878 249796804 /nfs/dbraw/zinc/79/68/04/249796804.db2.gz CJNZXRKGSANOEO-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP CC1([NH3+])CCN(C(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000634047471 378986739 /nfs/dbraw/zinc/98/67/39/378986739.db2.gz MDLGUGKLGDZKDH-UHFFFAOYSA-N 2 0 282.432 1.561 10 0 CDAERP CCCCN(C)C[C@H](C)[NH2+][C@@H]1CCN(CCOC)C1 ZINC000344103360 379105428 /nfs/dbraw/zinc/10/54/28/379105428.db2.gz TZYYEPLGYQKNJE-LSDHHAIUSA-N 2 0 271.449 1.417 10 0 CDAERP Cc1cnn(CC[N@@H+](C)CCCN(C)CC[NH+](C)C)c1 ZINC000344082701 379146265 /nfs/dbraw/zinc/14/62/65/379146265.db2.gz RWGNQODKBUFOHQ-UHFFFAOYSA-N 2 0 281.448 1.007 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](OC)[C@H]2CCOC2)[C@H](C)C1 ZINC000660081555 412911455 /nfs/dbraw/zinc/91/14/55/412911455.db2.gz ICDBFNYDPSJFPK-UGUYLWEFSA-N 2 0 284.444 1.700 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000220318622 284782126 /nfs/dbraw/zinc/78/21/26/284782126.db2.gz PNEDLXONDBCVIP-BFHYXJOUSA-N 2 0 267.417 1.447 10 0 CDAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccncc3)cc2)C1 ZINC000657594305 412922424 /nfs/dbraw/zinc/92/24/24/412922424.db2.gz IECGMLAZLBLJGU-GOSISDBHSA-N 2 0 297.402 1.938 10 0 CDAERP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H](C[NH3+])C(F)(F)F)C[C@H]1C ZINC000655921404 412931798 /nfs/dbraw/zinc/93/17/98/412931798.db2.gz LTULIRITQBPNIL-UTLUCORTSA-N 2 0 296.337 1.000 10 0 CDAERP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000418580959 284892090 /nfs/dbraw/zinc/89/20/90/284892090.db2.gz UFHJLEFRKATXBC-LSDHHAIUSA-N 2 0 296.459 1.502 10 0 CDAERP COCCNc1nc(N[C@@H]2CCC[NH2+]C2)cc(C)[nH+]1 ZINC000057329316 184567303 /nfs/dbraw/zinc/56/73/03/184567303.db2.gz PRAVOQNDOSLFQI-LLVKDONJSA-N 2 0 265.361 1.007 10 0 CDAERP CCC(C)(C)[NH+]1CCN(C(=O)N[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000655968010 412969261 /nfs/dbraw/zinc/96/92/61/412969261.db2.gz KQDVSRQMJRYHIA-VXGBXAGGSA-N 2 0 270.421 1.238 10 0 CDAERP Cc1nocc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000507210917 254098725 /nfs/dbraw/zinc/09/87/25/254098725.db2.gz KZTUWHHSBLYPNM-UHFFFAOYSA-N 2 0 279.384 1.527 10 0 CDAERP CC[NH2+]CC1CCN(C(=O)c2cc(C(C)(C)[NH3+])no2)CC1 ZINC000662430572 413013219 /nfs/dbraw/zinc/01/32/19/413013219.db2.gz QZTJMMDHVLLDJO-UHFFFAOYSA-N 2 0 294.399 1.330 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC3(C2)CC[NH2+]CC3)C1 ZINC000335286192 285230106 /nfs/dbraw/zinc/23/01/06/285230106.db2.gz XTBVDAYHAWLDRR-CQSZACIVSA-N 2 0 294.443 1.256 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261773318 285271226 /nfs/dbraw/zinc/27/12/26/285271226.db2.gz OOGXSISGNMOTGP-MELADBBJSA-N 2 0 267.417 1.447 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H](C(N)=O)c2ccccc2)C1 ZINC000656127143 413041296 /nfs/dbraw/zinc/04/12/96/413041296.db2.gz PJKGGHHFXTZFNF-YUTCNCBUSA-N 2 0 261.369 1.143 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000423017892 285373990 /nfs/dbraw/zinc/37/39/90/285373990.db2.gz PUKNDQPRHWWHHG-DGAVXFQQSA-N 2 0 268.401 1.288 10 0 CDAERP Cc1cc(N[C@@H]2CCc3nc[nH]c3C2)nc(C2CC2)n1 ZINC000370859013 390604841 /nfs/dbraw/zinc/60/48/41/390604841.db2.gz CLUKTLXWIIEEMA-LLVKDONJSA-N 2 0 269.352 1.777 10 0 CDAERP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000404909103 390966813 /nfs/dbraw/zinc/96/68/13/390966813.db2.gz AYVRQUQVGAIHMM-MJBXVCDLSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@@H]1C[NH2+]C[C@@H](NCC[NH2+]C2CCCCCC2)C1 ZINC000647546553 390989801 /nfs/dbraw/zinc/98/98/01/390989801.db2.gz PDLGDRXIGZUNBY-ZFWWWQNUSA-N 2 0 253.434 1.886 10 0 CDAERP Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647549455 390992720 /nfs/dbraw/zinc/99/27/20/390992720.db2.gz ANXKSTZKWOYHBR-QLFBSQMISA-N 2 0 276.428 1.557 10 0 CDAERP C[C@@H]1C[C@H](C[NH2+]CCc2cn3ccccc3n2)CC[NH2+]1 ZINC000415120405 391038561 /nfs/dbraw/zinc/03/85/61/391038561.db2.gz YCJIUDOOYWOCDN-ZIAGYGMSSA-N 2 0 272.396 1.855 10 0 CDAERP Cc1cc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)ccn1 ZINC000527674188 391079944 /nfs/dbraw/zinc/07/99/44/391079944.db2.gz IDKUIXKXUVEUKA-UHFFFAOYSA-N 2 0 277.412 1.715 10 0 CDAERP CC(C)NC(=O)CC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000374418990 391161586 /nfs/dbraw/zinc/16/15/86/391161586.db2.gz FYKCARNGXFMBFO-RRFJBIMHSA-N 2 0 297.443 1.085 10 0 CDAERP C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)OC[C@@H]1CCCO1 ZINC000647903584 391201310 /nfs/dbraw/zinc/20/13/10/391201310.db2.gz MNMNCWKDWMEABD-HRCADAONSA-N 2 0 282.428 1.646 10 0 CDAERP CCCCNC(=O)CC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647903830 391202564 /nfs/dbraw/zinc/20/25/64/391202564.db2.gz QQRONUFKOSQEOM-LSDHHAIUSA-N 2 0 281.444 1.757 10 0 CDAERP CCC[C@H]1C[NH2+]CCN1C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000418033330 391350227 /nfs/dbraw/zinc/35/02/27/391350227.db2.gz VTPIQIWHKGDYOF-HNNXBMFYSA-N 2 0 294.443 1.422 10 0 CDAERP C[C@@H]1CCN(C(=O)NCC[C@@H]2CCC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000418354751 391371854 /nfs/dbraw/zinc/37/18/54/391371854.db2.gz WCWKSAWGXQQRAW-RDBSUJKOSA-N 2 0 282.432 1.002 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3c[nH]nc3C2)[C@@H]2CCC[C@@H]21 ZINC000353408656 391390620 /nfs/dbraw/zinc/39/06/20/391390620.db2.gz UNZGWUAWSOSBCR-HOSILWTGSA-N 2 0 274.412 1.729 10 0 CDAERP C[C@H](Cc1ccoc1)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000648450479 391394444 /nfs/dbraw/zinc/39/44/44/391394444.db2.gz OBEKTNLFDKUKQQ-ZBFHGGJFSA-N 2 0 291.439 1.969 10 0 CDAERP Cc1nnc([C@H](C)N2CCC(C[NH+]3CCCC3)CC2)[nH]1 ZINC000411173459 391403113 /nfs/dbraw/zinc/40/31/13/391403113.db2.gz MQOAPXNBPCESJD-LBPRGKRZSA-N 2 0 277.416 1.982 10 0 CDAERP CS[C@@H]1CC[C@H]1[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000425339534 391464336 /nfs/dbraw/zinc/46/43/36/391464336.db2.gz CPBONBNYVLQBGP-BPLDGKMQSA-N 2 0 284.469 1.971 10 0 CDAERP CC(C)n1cncc1CN1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000425335266 391469093 /nfs/dbraw/zinc/46/90/93/391469093.db2.gz HSVAJNQTFSKGIS-KGLIPLIRSA-N 2 0 280.416 1.351 10 0 CDAERP Cc1noc([C@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC000647980236 391475743 /nfs/dbraw/zinc/47/57/43/391475743.db2.gz PMKSRGAGVFZUPL-ZMLRMANQSA-N 2 0 250.346 1.370 10 0 CDAERP C[C@@H](NC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)[C@H](C)[NH3+] ZINC000417856095 391512036 /nfs/dbraw/zinc/51/20/36/391512036.db2.gz RUHSIKMKSZEYEX-LOWVWBTDSA-N 2 0 263.385 1.565 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000417847719 391517496 /nfs/dbraw/zinc/51/74/96/391517496.db2.gz ZOQMFSSVCIAUDR-JSGCOSHPSA-N 2 0 263.385 1.710 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000418578670 391520140 /nfs/dbraw/zinc/52/01/40/391520140.db2.gz QFINFMFLRCBSSN-MELADBBJSA-N 2 0 282.432 1.110 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(OC)nc2)[C@@H](C)C1 ZINC000527989511 391557752 /nfs/dbraw/zinc/55/77/52/391557752.db2.gz YUUKIUFCCCRWSY-ZFWWWQNUSA-N 2 0 277.412 1.953 10 0 CDAERP COc1ccc(C[C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1OC ZINC000415011469 391722211 /nfs/dbraw/zinc/72/22/11/391722211.db2.gz HWUBUCMQBUNGLA-TUAOUCFPSA-N 2 0 266.385 1.960 10 0 CDAERP Cc1cncc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000189873344 130033603 /nfs/dbraw/zinc/03/36/03/130033603.db2.gz NVJOPHXJHVOKRP-HNNXBMFYSA-N 2 0 291.439 1.915 10 0 CDAERP O=C(NC[C@H]1CCC[N@@H+](CC2(F)CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000516181964 391808864 /nfs/dbraw/zinc/80/88/64/391808864.db2.gz CZNUIODRSVLHLR-OLZOCXBDSA-N 2 0 283.391 1.069 10 0 CDAERP C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1c[nH+]ccc1N(C)C ZINC000647831110 391812974 /nfs/dbraw/zinc/81/29/74/391812974.db2.gz GTVHKRAQVSQFTK-AAEUAGOBSA-N 2 0 276.384 1.312 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000334881487 391985671 /nfs/dbraw/zinc/98/56/71/391985671.db2.gz IRSMHUBBXYUKKT-TZMCWYRMSA-N 2 0 282.432 1.156 10 0 CDAERP COCCCC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104273 392012404 /nfs/dbraw/zinc/01/24/04/392012404.db2.gz GHAUXURHWRUKFN-UHFFFAOYSA-N 2 0 256.390 1.210 10 0 CDAERP CC[NH+](CC)CC[C@@H](CO)Nc1ccnc(C)n1 ZINC000439113835 392013482 /nfs/dbraw/zinc/01/34/82/392013482.db2.gz ANJFARSQPLIHQU-LBPRGKRZSA-N 2 0 252.362 1.290 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]C[C@]2(CCO)CCOC2)[C@H](C)C1 ZINC000345173717 392098179 /nfs/dbraw/zinc/09/81/79/392098179.db2.gz ZZLNCDUXBOYSDT-ILXRZTDVSA-N 2 0 270.417 1.095 10 0 CDAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)C[C@H]3CCC[NH2+]C3)CC[C@H]21 ZINC000250662227 392231021 /nfs/dbraw/zinc/23/10/21/392231021.db2.gz YZGQLDPITNIYBE-RBSFLKMASA-N 2 0 279.428 1.319 10 0 CDAERP O=C(NCc1ccc2c[nH+]cn2c1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000457979280 392309717 /nfs/dbraw/zinc/30/97/17/392309717.db2.gz SIGQCWJPOUMMGV-HNNXBMFYSA-N 2 0 284.363 1.577 10 0 CDAERP CN1CC[NH+](CCCC[NH2+][C@H]2CCCSCC2)CC1 ZINC000657835316 413051861 /nfs/dbraw/zinc/05/18/61/413051861.db2.gz MPNOHRQUAXXTCI-HNNXBMFYSA-N 2 0 285.501 1.889 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CC1(c2ccccn2)CCC1 ZINC000423101141 392344398 /nfs/dbraw/zinc/34/43/98/392344398.db2.gz CNIRPBWLSABKOO-AWEZNQCLSA-N 2 0 277.412 1.847 10 0 CDAERP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3C[C@@H]3C)cn2)CC1 ZINC000488449991 392362970 /nfs/dbraw/zinc/36/29/70/392362970.db2.gz BRZANZHGXJSZJQ-GOEBONIOSA-N 2 0 288.439 1.969 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+])[NH+]1CCCC1 ZINC000573918506 392465678 /nfs/dbraw/zinc/46/56/78/392465678.db2.gz MLUOFTZAGLUICU-RBSFLKMASA-N 2 0 281.444 1.885 10 0 CDAERP C[C@@H]1C[N@H+](C)C[C@@H]1NCCC[NH2+]Cc1cccnc1 ZINC000423185604 392425639 /nfs/dbraw/zinc/42/56/39/392425639.db2.gz JTKLPEHMSAGSSK-HIFRSBDPSA-N 2 0 262.401 1.101 10 0 CDAERP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]CCC[NH3+])C1 ZINC000423189547 392429055 /nfs/dbraw/zinc/42/90/55/392429055.db2.gz MVRCOAFIPHETLG-OLZOCXBDSA-N 2 0 256.390 1.827 10 0 CDAERP Cc1cn2cc(NC(=O)[C@@H]3CC[NH2+][C@@H]3C)ccc2n1 ZINC000645879934 392451393 /nfs/dbraw/zinc/45/13/93/392451393.db2.gz XWQRLQKKMAJNEG-ZYHUDNBSSA-N 2 0 258.325 1.579 10 0 CDAERP C[NH2+]CCN[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000423224609 392454896 /nfs/dbraw/zinc/45/48/96/392454896.db2.gz JMXDZXKLSREUGO-ZBFHGGJFSA-N 2 0 261.413 1.706 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCN(C(=O)CN2CC(C)(C)C2)C1 ZINC000568201096 392402024 /nfs/dbraw/zinc/40/20/24/392402024.db2.gz HFTOSVOGOSAAAX-CQSZACIVSA-N 2 0 281.444 1.519 10 0 CDAERP C[C@@H]([NH2+]CCN(C)Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400380800 392515591 /nfs/dbraw/zinc/51/55/91/392515591.db2.gz KEAXFZPHHJDQNK-ZBFHGGJFSA-N 2 0 261.413 1.706 10 0 CDAERP C[C@H](CNC(=O)CCN(C)c1cc[nH+]cc1)C[NH+](C)C ZINC000646609298 392591481 /nfs/dbraw/zinc/59/14/81/392591481.db2.gz HGPHVVSYKWQSKB-CYBMUJFWSA-N 2 0 278.400 1.222 10 0 CDAERP C[C@@H](CNC(=O)N1CCC(C[NH+]2CCCC2)CC1)[NH+](C)C ZINC000459042522 392892128 /nfs/dbraw/zinc/89/21/28/392892128.db2.gz PGQSESOCRDGZLE-AWEZNQCLSA-N 2 0 296.459 1.454 10 0 CDAERP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C(C)(C)C(F)F ZINC000657845966 413056231 /nfs/dbraw/zinc/05/62/31/413056231.db2.gz MNOQITJPWFNVGO-WDEREUQCSA-N 2 0 264.360 1.713 10 0 CDAERP C[NH+](C)CC1(C(=O)NC[C@H]2CC[N@H+](C)C2)CCCCC1 ZINC000494830894 393110262 /nfs/dbraw/zinc/11/02/62/393110262.db2.gz GAYGDBHQGTYXOV-CQSZACIVSA-N 2 0 281.444 1.566 10 0 CDAERP CC1(C)NC(=O)CC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000494883269 393120989 /nfs/dbraw/zinc/12/09/89/393120989.db2.gz OTFGUWUDCGRRSP-WCQYABFASA-N 2 0 265.401 1.118 10 0 CDAERP CCO[C@@H]1C[C@@H]([NH2+]CCCC[NH+](C)C)[C@H]1SC ZINC000459394571 393134487 /nfs/dbraw/zinc/13/44/87/393134487.db2.gz XKWBPNGJPIHFAH-JHJVBQTASA-N 2 0 260.447 1.827 10 0 CDAERP C[C@@H](CC[NH2+][C@H]1CCC(=O)NC1(C)C)[NH+]1CCCCC1 ZINC000494973769 393144924 /nfs/dbraw/zinc/14/49/24/393144924.db2.gz KVJDLGRPEGNBKM-KBPBESRZSA-N 2 0 281.444 1.898 10 0 CDAERP CC(C)[NH2+]CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000662485872 413058612 /nfs/dbraw/zinc/05/86/12/413058612.db2.gz UAXTWSLWGJJHTM-KGLIPLIRSA-N 2 0 267.417 1.458 10 0 CDAERP C[C@@H]1[C@H](O)CC[N@@H+]1Cc1cc(-n2ccnc2)cs1 ZINC000648800400 393373554 /nfs/dbraw/zinc/37/35/54/393373554.db2.gz AKQFZCZGLHUISU-ZWNOBZJWSA-N 2 0 263.366 1.889 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C[NH2+]C1CC1 ZINC000645951245 393426847 /nfs/dbraw/zinc/42/68/47/393426847.db2.gz XKNBLPOBDWIAQD-VXGBXAGGSA-N 2 0 253.390 1.118 10 0 CDAERP c1cncc([C@@H]2C[NH2+]CCN2CCC2CC[NH2+]CC2)c1 ZINC000261840943 285554088 /nfs/dbraw/zinc/55/40/88/285554088.db2.gz ULLKLCNZOCDVGS-INIZCTEOSA-N 2 0 274.412 1.418 10 0 CDAERP CCCn1cc(CN2CCC[C@H]([C@@H](C)[NH3+])C2)cn1 ZINC000220203673 140167537 /nfs/dbraw/zinc/16/75/37/140167537.db2.gz OVDDYBIUFBXIQX-OCCSQVGLSA-N 2 0 250.390 1.852 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCCC[NH+]2CCCCC2)CC[NH2+]1 ZINC000235689226 140236659 /nfs/dbraw/zinc/23/66/59/140236659.db2.gz DUUVBMDPONDVHH-KBPBESRZSA-N 2 0 267.417 1.367 10 0 CDAERP C[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000250628612 140304033 /nfs/dbraw/zinc/30/40/33/140304033.db2.gz QQQXTQDFPCCLKG-ZNMIVQPWSA-N 2 0 279.428 1.365 10 0 CDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1c[nH+]ccc1N ZINC000261541078 140343999 /nfs/dbraw/zinc/34/39/99/140343999.db2.gz FLFREHICUDYSSG-CYBMUJFWSA-N 2 0 298.390 1.914 10 0 CDAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000261554184 140346343 /nfs/dbraw/zinc/34/63/43/140346343.db2.gz UAWUPIMFQXSZGW-KBPBESRZSA-N 2 0 289.423 1.479 10 0 CDAERP [NH3+][C@H]1CCCC[C@H]1CC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000261612851 140363050 /nfs/dbraw/zinc/36/30/50/140363050.db2.gz FGTNTOOJNDXHKC-HOCLYGCPSA-N 2 0 293.455 1.981 10 0 CDAERP C[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])C(C)(C)C[NH+](C)C ZINC000261850494 140399096 /nfs/dbraw/zinc/39/90/96/140399096.db2.gz VTOLLGXLXJCIDU-YNEHKIRRSA-N 2 0 269.433 1.454 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000662592226 413161965 /nfs/dbraw/zinc/16/19/65/413161965.db2.gz IFDWPYMZBSWWNR-JHJVBQTASA-N 2 0 267.417 1.350 10 0 CDAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CCC([NH3+])CC1 ZINC000394343101 397812733 /nfs/dbraw/zinc/81/27/33/397812733.db2.gz IEZNZSIIUVCBBQ-CVSAEHQPSA-N 2 0 279.428 1.589 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1(C[NH3+])CCCC1 ZINC000094459004 147088572 /nfs/dbraw/zinc/08/85/72/147088572.db2.gz XETVIEZMIWMHFY-CHWSQXEVSA-N 2 0 265.401 1.201 10 0 CDAERP CCC[C@](C)([NH3+])C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000094460130 147089691 /nfs/dbraw/zinc/08/96/91/147089691.db2.gz FROAJCYUVJUFQD-SCRDCRAPSA-N 2 0 253.390 1.199 10 0 CDAERP [NH3+][C@H]1CC[C@@H](C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000097092982 147120243 /nfs/dbraw/zinc/12/02/43/147120243.db2.gz YOXASEHCAXPZNH-OLZOCXBDSA-N 2 0 253.390 1.106 10 0 CDAERP CCC[NH+]1CCC([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)CC1 ZINC000658110267 413211506 /nfs/dbraw/zinc/21/15/06/413211506.db2.gz WYDHPZCLKRBDOV-INIZCTEOSA-N 3 0 298.519 1.722 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000262430396 149063024 /nfs/dbraw/zinc/06/30/24/149063024.db2.gz WJWIHDKXZBBNNT-ZNMIVQPWSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)(C)c1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cc1 ZINC000263222641 149123790 /nfs/dbraw/zinc/12/37/90/149123790.db2.gz MEYPAIAKRYBPKU-DZGCQCFKSA-N 2 0 262.397 1.654 10 0 CDAERP O=C(CN1CCC[C@]2(CC[NH2+]C2)C1)N1CCc2ccccc21 ZINC000334980849 150146403 /nfs/dbraw/zinc/14/64/03/150146403.db2.gz OPDYKJJVLIJZLV-GOSISDBHSA-N 2 0 299.418 1.651 10 0 CDAERP CC1=CC[N@H+](CCNC(=O)N2C[C@H](C)[NH2+]C[C@H]2C)CC1 ZINC000335186900 150385224 /nfs/dbraw/zinc/38/52/24/150385224.db2.gz YQOFKPLPYICVAC-UONOGXRCSA-N 2 0 280.416 1.030 10 0 CDAERP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)Nc1cccc(F)c1 ZINC000336127068 151292233 /nfs/dbraw/zinc/29/22/33/151292233.db2.gz HWNCUIVVONCFIX-UHFFFAOYSA-N 2 0 291.370 1.840 10 0 CDAERP C[C@@H]1CCC[N@H+](CCCC[NH2+]C2CCN(C(N)=O)CC2)C1 ZINC000343427087 152169975 /nfs/dbraw/zinc/16/99/75/152169975.db2.gz ZIYBNWXOPSBZGK-CQSZACIVSA-N 2 0 296.459 1.631 10 0 CDAERP COc1ccc(C[NH2+][C@@H]2CN(C)C[C@H]2C)c(OC)c1 ZINC000343477345 152195233 /nfs/dbraw/zinc/19/52/33/152195233.db2.gz OLXLFLACKWPUIU-BXUZGUMPSA-N 2 0 264.369 1.744 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCC[N@@H+](C)CC1 ZINC000346165880 153079552 /nfs/dbraw/zinc/07/95/52/153079552.db2.gz FNCMWWRCQFTYAO-UHFFFAOYSA-N 2 0 285.395 1.713 10 0 CDAERP O=C(NC1CC[NH+](C2CC2)CC1)C1([NH2+]C2CC2)CCC1 ZINC000662670686 413285919 /nfs/dbraw/zinc/28/59/19/413285919.db2.gz GTHCFJPIXVYERI-UHFFFAOYSA-N 2 0 277.412 1.404 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)CC1([NH3+])CC1 ZINC000662682500 413306203 /nfs/dbraw/zinc/30/62/03/413306203.db2.gz ILBCAGCIMITYSD-ZDUSSCGKSA-N 2 0 267.417 1.639 10 0 CDAERP C[NH+](C)CCCCNC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662684030 413306945 /nfs/dbraw/zinc/30/69/45/413306945.db2.gz WIHJXINHLZZVNK-UHFFFAOYSA-N 2 0 294.399 1.213 10 0 CDAERP [NH3+][C@@H](c1cn([C@H]2CCC[NH2+]C2)nn1)c1ccccc1 ZINC000656467047 413322958 /nfs/dbraw/zinc/32/29/58/413322958.db2.gz JUJVOOYLHOEVLA-GXTWGEPZSA-N 2 0 257.341 1.251 10 0 CDAERP C[N@@H+]1CCC[C@]2(CCN(CCO[C@@H]3CC3(F)F)C2)C1 ZINC000660642675 413326460 /nfs/dbraw/zinc/32/64/60/413326460.db2.gz UFAQFNLHJPGYKX-OLZOCXBDSA-N 2 0 274.355 1.828 10 0 CDAERP COc1c[nH+]ccc1N1CC[NH+](C[C@H]2C[C@@H]2C)CC1 ZINC000355655456 157170267 /nfs/dbraw/zinc/17/02/67/157170267.db2.gz TWMLISNLISVYIS-QWHCGFSZSA-N 2 0 261.369 1.868 10 0 CDAERP O[C@H](C[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1)C[NH+]1CCCC1 ZINC000361897129 159012555 /nfs/dbraw/zinc/01/25/55/159012555.db2.gz PRTLKVSQFWHLGI-MWDXBVQZSA-N 2 0 296.455 1.628 10 0 CDAERP COc1cccc(CC[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000361925554 159019215 /nfs/dbraw/zinc/01/92/15/159019215.db2.gz IJJPOCRRRUBLSY-JSGCOSHPSA-N 2 0 263.385 1.705 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)CC1([NH3+])CC1)c1ccc(Cl)cc1 ZINC000662753580 413433749 /nfs/dbraw/zinc/43/37/49/413433749.db2.gz SGXHTRHYYVREJZ-ZDUSSCGKSA-N 2 0 295.814 1.940 10 0 CDAERP C[C@H](CC[NH3+])NC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000417196737 298423963 /nfs/dbraw/zinc/42/39/63/298423963.db2.gz PLWMNDMMLDXSAQ-HIFRSBDPSA-N 2 0 292.427 1.196 10 0 CDAERP CCCCC[NH+]1CC(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001665295372 1172976406 /nfs/dbraw/zinc/97/64/06/1172976406.db2.gz SNUKORKYPHXYJP-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC1C[NH+](CC2=CCCCC2)C1 ZINC001665362829 1172987127 /nfs/dbraw/zinc/98/71/27/1172987127.db2.gz MLUXMQMJMCUIGB-UHFFFAOYSA-N 2 0 293.455 1.875 10 0 CDAERP CCNC(=O)C[C@H]1CCCC[N@@H+]1CCCn1ccnc1 ZINC000284348445 196036459 /nfs/dbraw/zinc/03/64/59/196036459.db2.gz CPZQYSMOWQDAQU-CQSZACIVSA-N 2 0 278.400 1.654 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000653176526 412116642 /nfs/dbraw/zinc/11/66/42/412116642.db2.gz XWJYTDCQGFRQHM-GFCCVEGCSA-N 2 0 257.422 1.454 10 0 CDAERP CC1(C)C[NH2+][C@@H]1C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659366450 413747996 /nfs/dbraw/zinc/74/79/96/413747996.db2.gz KBUUMNGBWBNSRM-UONOGXRCSA-N 2 0 289.379 1.284 10 0 CDAERP C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659364956 413749659 /nfs/dbraw/zinc/74/96/59/413749659.db2.gz CCXYWORYURKWCE-CQDKDKBSSA-N 2 0 289.379 1.284 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000655020789 413923789 /nfs/dbraw/zinc/92/37/89/413923789.db2.gz NHWZZBNXOXCSBT-CYBMUJFWSA-N 2 0 255.406 1.128 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)NC(=O)N(C)CC1C[NH+](C)C1 ZINC000661209819 413891265 /nfs/dbraw/zinc/89/12/65/413891265.db2.gz LBUAWKHWANLSLJ-ZDUSSCGKSA-N 2 0 284.448 1.310 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NCCCC[N@H+](C)C1CC1 ZINC000659503570 413896988 /nfs/dbraw/zinc/89/69/88/413896988.db2.gz RPCRHDQAJMCEOT-CQSZACIVSA-N 2 0 284.448 1.533 10 0 CDAERP FC1(F)C[C@@H]1OCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000665244722 413976200 /nfs/dbraw/zinc/97/62/00/413976200.db2.gz VAEOOQDETAWLEW-LOWDOPEQSA-N 2 0 274.355 1.921 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)CCCOC)CC1 ZINC000665287680 414025953 /nfs/dbraw/zinc/02/59/53/414025953.db2.gz RKVKHKGHZCUIFW-CQSZACIVSA-N 2 0 299.459 1.382 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000659618852 414030289 /nfs/dbraw/zinc/03/02/89/414030289.db2.gz CBGHZHHPBOPBNX-CYBMUJFWSA-N 2 0 284.448 1.391 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659624390 414035376 /nfs/dbraw/zinc/03/53/76/414035376.db2.gz NLXAPFSFQYCLGD-CQSZACIVSA-N 2 0 286.464 1.589 10 0 CDAERP CC(=O)N1CC[NH+]([C@H]2CCCCC[C@H]2C[NH3+])CC1 ZINC000037157986 172993145 /nfs/dbraw/zinc/99/31/45/172993145.db2.gz GPOCHQVNQUXCJJ-KBPBESRZSA-N 2 0 253.390 1.058 10 0 CDAERP CC[N@@H+]1CCCN(C(=O)NC[C@H]2CC[NH+]2C(C)(C)C)CC1 ZINC000665362437 414106314 /nfs/dbraw/zinc/10/63/14/414106314.db2.gz DLNKDKGXNJNQIH-CQSZACIVSA-N 2 0 296.459 1.596 10 0 CDAERP c1cc(C[NH2+]CCN2CCCC2)n(-c2cc[nH+]cc2)n1 ZINC000657292737 414123877 /nfs/dbraw/zinc/12/38/77/414123877.db2.gz RBTMOUHXXMGARN-UHFFFAOYSA-N 2 0 271.368 1.453 10 0 CDAERP CN(C)c1ccncc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655827655 414236887 /nfs/dbraw/zinc/23/68/87/414236887.db2.gz WOIDFBHCXHZHDS-XBXGTLAGSA-N 2 0 262.401 1.577 10 0 CDAERP C[C@@H](C[NH2+]Cc1cn(C2CCC2)nn1)CN1CCOCC1 ZINC000657371492 414247360 /nfs/dbraw/zinc/24/73/60/414247360.db2.gz WIIUXYLGFYVWKB-ZDUSSCGKSA-N 2 0 293.415 1.061 10 0 CDAERP NC(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657370591 414247506 /nfs/dbraw/zinc/24/75/06/414247506.db2.gz JDLPHYDNUGUKMQ-STQMWFEESA-N 2 0 299.378 1.401 10 0 CDAERP CC[C@@H]1C[C@@H]([NH2+]CCN2CCC([NH+](C)C)CC2)CO1 ZINC000657387747 414268468 /nfs/dbraw/zinc/26/84/68/414268468.db2.gz ZMRVDSMHTHQDRU-UKRRQHHQSA-N 2 0 269.433 1.170 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)CN1CCO[C@H]2CCCC[C@@H]21 ZINC000311705330 414288554 /nfs/dbraw/zinc/28/85/54/414288554.db2.gz MSASAWJJCXTOSL-KKUMJFAQSA-N 2 0 270.417 1.331 10 0 CDAERP CC[N@H+](C)C[C@@H]1CC[NH+](CC2(O)CCSCC2)C1 ZINC000659989027 414331670 /nfs/dbraw/zinc/33/16/70/414331670.db2.gz AGMKIRQWYLWFBE-ZDUSSCGKSA-N 2 0 272.458 1.518 10 0 CDAERP NC(=O)C1([NH2+]Cc2cccc3c2CC[NH2+]C3)CCCCC1 ZINC000662259100 414594284 /nfs/dbraw/zinc/59/42/84/414594284.db2.gz PYUVSFUUQZGNIG-UHFFFAOYSA-N 2 0 287.407 1.610 10 0 CDAERP CC(C)[C@H]1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCS1 ZINC000662259234 414594349 /nfs/dbraw/zinc/59/43/49/414594349.db2.gz SPZIJZMTWCTJND-QWHCGFSZSA-N 2 0 270.442 1.581 10 0 CDAERP Cc1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)ncn1 ZINC000662274445 414605516 /nfs/dbraw/zinc/60/55/16/414605516.db2.gz IFEDARTZGZDEDD-HNNXBMFYSA-N 2 0 260.385 1.749 10 0 CDAERP CC[C@@H]([NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1)c1c(C)noc1C ZINC000662280503 414612672 /nfs/dbraw/zinc/61/26/72/414612672.db2.gz FMUKDGWPQVPAAS-QWHCGFSZSA-N 2 0 279.384 1.853 10 0 CDAERP FC1(F)C[C@]12CC[N@H+](C[C@@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000662282987 414613223 /nfs/dbraw/zinc/61/32/23/414613223.db2.gz FREHANIFQZNCPJ-QWRGUYRKSA-N 2 0 258.312 1.239 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)CCC[NH2+]C(C)C)C1 ZINC000040503579 174300309 /nfs/dbraw/zinc/30/03/09/174300309.db2.gz CDMWXFQWHPHSRM-ZDUSSCGKSA-N 2 0 255.406 1.365 10 0 CDAERP [NH3+][C@@H]1CCOC[C@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000040693984 174377837 /nfs/dbraw/zinc/37/78/37/174377837.db2.gz LJKRFNVZHXBREX-HUUCEWRRSA-N 2 0 267.417 1.053 10 0 CDAERP CCC[NH2+]C[C@@H](O)CN1CCC([NH+]2CCCCC2)CC1 ZINC000040693897 174378016 /nfs/dbraw/zinc/37/80/16/174378016.db2.gz PXTNALDIZSHMGL-MRXNPFEDSA-N 2 0 283.460 1.297 10 0 CDAERP CC1CC[NH+](CCCNC(=O)[C@](C)([NH3+])C2CC2)CC1 ZINC000040833022 174415089 /nfs/dbraw/zinc/41/50/89/174415089.db2.gz LIPPOZWWDMJNCD-OAHLLOKOSA-N 2 0 267.417 1.352 10 0 CDAERP CCN([C@H](C)COC)C1(C[NH3+])CC[NH+](C(C)C)CC1 ZINC000042743471 174863820 /nfs/dbraw/zinc/86/38/20/174863820.db2.gz XDTOHPPRWURDOK-CQSZACIVSA-N 2 0 271.449 1.545 10 0 CDAERP CC[NH+]1CCC(N(C)[C@H](c2ccncc2)[C@@H](C)[NH3+])CC1 ZINC000043354752 175022104 /nfs/dbraw/zinc/02/21/04/175022104.db2.gz UEMGGQFOSZYFAK-CJNGLKHVSA-N 2 0 276.428 1.886 10 0 CDAERP CC(C)C[N@H+](CCC[NH3+])CC(=O)N1CCCCCC1 ZINC000043417476 175038148 /nfs/dbraw/zinc/03/81/48/175038148.db2.gz QRRWSQXFACYSGG-UHFFFAOYSA-N 2 0 269.433 1.696 10 0 CDAERP CC[NH+]1CCN([C@H](C)[C@H]([NH2+]C)c2ccccc2)CC1 ZINC000043805714 175107601 /nfs/dbraw/zinc/10/76/01/175107601.db2.gz FIGFSGZZCDSDQR-ZBFHGGJFSA-N 2 0 261.413 1.973 10 0 CDAERP CC[NH2+][C@@H]1CCC2(C[C@H]1[N@@H+]1CCC[C@@H]1C)OCCO2 ZINC000043903299 175122919 /nfs/dbraw/zinc/12/29/19/175122919.db2.gz OHNQYUKVRMXMQT-BFHYXJOUSA-N 2 0 268.401 1.744 10 0 CDAERP CCC[NH2+][C@H](C)[C@@H](C)N(CCOC)[C@@H](C)COC ZINC000043976139 175133062 /nfs/dbraw/zinc/13/30/62/175133062.db2.gz NJRDNTPQTDXVLN-BFHYXJOUSA-N 2 0 260.422 1.746 10 0 CDAERP CC[NH2+]CC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000044291153 175160149 /nfs/dbraw/zinc/16/01/49/175160149.db2.gz KCLNPHATLDOOFN-UHFFFAOYSA-N 2 0 261.369 1.830 10 0 CDAERP CCC[NH+]1CCN([C@@H](c2ccncc2)[C@H](C)[NH3+])CC1 ZINC000044419057 175173592 /nfs/dbraw/zinc/17/35/92/175173592.db2.gz OVGMBZUZHFPUPZ-DZGCQCFKSA-N 2 0 262.401 1.498 10 0 CDAERP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H]1CCC[N@H+](C)C1 ZINC000044516255 175190433 /nfs/dbraw/zinc/19/04/33/175190433.db2.gz VEOXGYYODXWOFP-UKRRQHHQSA-N 3 0 253.434 1.648 10 0 CDAERP CC[NH2+][C@@H]1CCN(C[C@@H]2CCCC[N@@H+]2C)C[C@@H]1C ZINC000044562926 175205751 /nfs/dbraw/zinc/20/57/51/175205751.db2.gz USYMYBZBVKKGPO-SOUVJXGZSA-N 2 0 253.434 1.791 10 0 CDAERP C(C[NH2+][C@@H]1CCN(C2CC2)C1)C[C@@H]1CCC[NH2+]C1 ZINC000044679474 175228689 /nfs/dbraw/zinc/22/86/89/175228689.db2.gz ZHVRSFFJBBZZFN-UONOGXRCSA-N 2 0 251.418 1.593 10 0 CDAERP CC(C)[C@H](C[NH3+])C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000044995411 175287415 /nfs/dbraw/zinc/28/74/15/175287415.db2.gz JYIQQCANMFLLLJ-STQMWFEESA-N 2 0 255.406 1.208 10 0 CDAERP CC(C)[NH2+][C@](C)(CCC[N@H+](C)C1CCCC1)C(N)=O ZINC000045384934 175371778 /nfs/dbraw/zinc/37/17/78/175371778.db2.gz USXPOCPEBCBHEM-OAHLLOKOSA-N 2 0 269.433 1.883 10 0 CDAERP CCCCC[N@H+](C)CCC[C@@](C)([NH2+]CC)C(N)=O ZINC000045388156 175373687 /nfs/dbraw/zinc/37/36/87/175373687.db2.gz OUDUFAAZNFDXPX-CQSZACIVSA-N 2 0 257.422 1.742 10 0 CDAERP CC[NH2+][C@](C)(CCCC[N@H+](C)C1CCOCC1)C(N)=O ZINC000045394947 175376037 /nfs/dbraw/zinc/37/60/37/175376037.db2.gz LODGPSFQVAWGMD-OAHLLOKOSA-N 2 0 285.432 1.121 10 0 CDAERP CC(C)C[NH+](CCCC[C@](C)([NH3+])C(N)=O)CC(C)C ZINC000045420393 175378805 /nfs/dbraw/zinc/37/88/05/175378805.db2.gz LLYWRWVLLZFKLS-HNNXBMFYSA-N 2 0 271.449 1.973 10 0 CDAERP CCOC(=O)[C@@](C)([NH3+])CCC[N@H+](CC)C[C@@H]1CCCO1 ZINC000045421649 175379854 /nfs/dbraw/zinc/37/98/54/175379854.db2.gz RGXATLSXUNNOLM-ZFWWWQNUSA-N 2 0 286.416 1.548 10 0 CDAERP CCC[C@@H]1C[C@](C[NH3+])(N2CC[NH+](CCC)CC2)CCO1 ZINC000070988229 176018613 /nfs/dbraw/zinc/01/86/13/176018613.db2.gz QPMSNJJPOJVRPS-HZPDHXFCSA-N 2 0 283.460 1.691 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)N1CCC[C@@H]([NH2+]C(C)C)C1=O ZINC000071032014 176022839 /nfs/dbraw/zinc/02/28/39/176022839.db2.gz POHSYDBXDGXRGC-LSDHHAIUSA-N 2 0 283.460 1.952 10 0 CDAERP CCC[NH2+][C@H]1CCCN(C[C@H]2CCC[N@@H+]2CC)C1=O ZINC000071032768 176023667 /nfs/dbraw/zinc/02/36/67/176023667.db2.gz LKYAJTFEZMNEEL-KGLIPLIRSA-N 2 0 267.417 1.461 10 0 CDAERP CCC[NH2+][C@H]1CCCN(C[C@H]2CCC[N@H+](C)C2)C1=O ZINC000071032342 176023709 /nfs/dbraw/zinc/02/37/09/176023709.db2.gz ZJGGWWKGJMTKLI-KBPBESRZSA-N 2 0 267.417 1.319 10 0 CDAERP C[NH+](C)CCCCN1CCC[C@H]([NH2+]C2CC2)C1=O ZINC000071033933 176024296 /nfs/dbraw/zinc/02/42/96/176024296.db2.gz SKIGRRXNEXSNKA-ZDUSSCGKSA-N 2 0 253.390 1.071 10 0 CDAERP CC[C@@H]([NH3+])[C@@H](c1ccco1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071187985 176061265 /nfs/dbraw/zinc/06/12/65/176061265.db2.gz XIXURHCYCORPRV-NFAWXSAZSA-N 2 0 265.401 1.942 10 0 CDAERP C[N@H+](C[C@H](O)c1ccc(N)cc1)C[C@@H]1CC[NH+](C)C1 ZINC000071187839 176061970 /nfs/dbraw/zinc/06/19/70/176061970.db2.gz YSNOXZKRJXRBGX-DOMZBBRYSA-N 2 0 263.385 1.186 10 0 CDAERP CN(C[C@H]1CC[N@H+](C)C1)[C@@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC000071188724 176063290 /nfs/dbraw/zinc/06/32/90/176063290.db2.gz QIFWZWVDYVXHLT-MAZHCROVSA-N 2 0 259.397 1.495 10 0 CDAERP CC[NH2+]C[C@](C)(CC)CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191478 176069909 /nfs/dbraw/zinc/06/99/09/176069909.db2.gz DLFDWESZBJKMGE-CABCVRRESA-N 2 0 255.450 1.896 10 0 CDAERP CCC[NH2+]C[C@]1(CN(C)C[C@@H]2CC[N@H+](C)C2)CCOC1 ZINC000071191466 176070817 /nfs/dbraw/zinc/07/08/17/176070817.db2.gz XBIYXONIUIASDO-CVEARBPZSA-N 2 0 283.460 1.276 10 0 CDAERP CC[NH2+]Cc1cc(CN(C)C[C@H]2CC[N@H+](C)C2)on1 ZINC000071191905 176072414 /nfs/dbraw/zinc/07/24/14/176072414.db2.gz ZDVTVILAVZLBMB-LBPRGKRZSA-N 2 0 266.389 1.168 10 0 CDAERP CC[NH2+]Cc1cc(CN(C)C[C@@H]2CC[N@H+](C)C2)on1 ZINC000071191904 176072704 /nfs/dbraw/zinc/07/27/04/176072704.db2.gz ZDVTVILAVZLBMB-GFCCVEGCSA-N 2 0 266.389 1.168 10 0 CDAERP C[C@@H]1C[C@@H](C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)CC[C@@H]1[NH3+] ZINC000071193263 176075321 /nfs/dbraw/zinc/07/53/21/176075321.db2.gz IWMUPHJAKSUHJR-MQYQWHSLSA-N 2 0 267.417 1.160 10 0 CDAERP C[C@@H]1CC[C@H](C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)C[C@@H]1[NH3+] ZINC000071193257 176075612 /nfs/dbraw/zinc/07/56/12/176075612.db2.gz OWARPJRHRSXCRT-MQYQWHSLSA-N 2 0 267.417 1.160 10 0 CDAERP CCC[NH2+][C@@H]1CCN(CC[N@H+](C)C2CCCC2)C1 ZINC000071199892 176077134 /nfs/dbraw/zinc/07/71/34/176077134.db2.gz WKNBYTZOJVKSEV-CQSZACIVSA-N 2 0 253.434 1.935 10 0 CDAERP C[C@@H](C(=O)N(C)[C@@H]1CC[NH2+]C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000071309933 176116720 /nfs/dbraw/zinc/11/67/20/176116720.db2.gz BOMYDYZZCSYDBR-QNWHQSFQSA-N 2 0 253.390 1.068 10 0 CDAERP C[C@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000071380159 176144387 /nfs/dbraw/zinc/14/43/87/176144387.db2.gz ZBWQCXOMVBNSIB-NWANDNLSSA-N 2 0 281.444 1.741 10 0 CDAERP [NH3+][C@H](CCC(=O)N[C@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC000071400123 176152772 /nfs/dbraw/zinc/15/27/72/176152772.db2.gz YJGZOWWVQZVENW-CVEARBPZSA-N 2 0 287.407 1.677 10 0 CDAERP CCn1cncc1C[NH2+][C@H]1CCN(c2ccccc2)C1=O ZINC000417898043 227105278 /nfs/dbraw/zinc/10/52/78/227105278.db2.gz JIHNCAWMWGIHED-HNNXBMFYSA-N 2 0 284.363 1.798 10 0 CDAERP CCn1nncc1C[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000417941197 227247030 /nfs/dbraw/zinc/24/70/30/227247030.db2.gz MPZHPLIDPUYMHW-ZIAGYGMSSA-N 2 0 295.431 1.277 10 0 CDAERP COCC[NH2+]C[C@@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001666641564 1173164588 /nfs/dbraw/zinc/16/45/88/1173164588.db2.gz NAHGDAYHAHPUHJ-CQSZACIVSA-N 2 0 299.459 1.095 10 0 CDAERP C([C@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000662256572 423800031 /nfs/dbraw/zinc/80/00/31/423800031.db2.gz JVTDOOJLWRJLDP-ZIAGYGMSSA-N 2 0 250.386 1.772 10 0 CDAERP FC1(F)C[C@@H]1OCC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000662272289 423822806 /nfs/dbraw/zinc/82/28/06/423822806.db2.gz DNXOUNHKXYIEJC-NSHDSACASA-N 2 0 260.328 1.486 10 0 CDAERP CCc1ccc([C@@H]2C[NH2+]CCN2C[C@H]2C[NH2+]CCO2)cc1 ZINC000662271461 423823808 /nfs/dbraw/zinc/82/38/08/423823808.db2.gz HHZOPQUCMPBHRC-SJORKVTESA-N 2 0 289.423 1.184 10 0 CDAERP C[C@@H](C[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1)c1nccs1 ZINC000662276936 423848807 /nfs/dbraw/zinc/84/88/07/423848807.db2.gz AUQHTVDCVCEIIO-RYUDHWBXSA-N 2 0 281.425 1.699 10 0 CDAERP C[NH+](C)CCC[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)CCO1 ZINC000662324534 423957197 /nfs/dbraw/zinc/95/71/97/423957197.db2.gz XOAFKERURCTFLP-JKSUJKDBSA-N 2 0 284.444 1.988 10 0 CDAERP FC1(F)CC12CC[NH+](C[C@H]1CCC3(C[NH2+]C3)O1)CC2 ZINC000662284407 423896922 /nfs/dbraw/zinc/89/69/22/423896922.db2.gz HHPAMXVTWHXNRF-LLVKDONJSA-N 2 0 272.339 1.629 10 0 CDAERP C[NH+](C)CC[C@@H](NC(=O)NCCC1(C[NH3+])CC1)C(C)(C)C ZINC000652153445 423973781 /nfs/dbraw/zinc/97/37/81/423973781.db2.gz JUGLSVBXWOQOLA-CYBMUJFWSA-N 2 0 298.475 1.781 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)NCCC2(C[NH3+])CC2)C[N@@H+]1C1CC1 ZINC000652165897 423987522 /nfs/dbraw/zinc/98/75/22/423987522.db2.gz DFXJOIGYFBXNAA-NEPJUHHUSA-N 2 0 280.416 1.040 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000652214364 424063866 /nfs/dbraw/zinc/06/38/66/424063866.db2.gz BQXJBXSGCOJXNS-IUODEOHRSA-N 2 0 290.411 1.203 10 0 CDAERP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCCC1(C[NH3+])CC1 ZINC000652234888 424109571 /nfs/dbraw/zinc/10/95/71/424109571.db2.gz NVOATUDPVLRPFG-ZIAGYGMSSA-N 2 0 294.443 1.384 10 0 CDAERP [NH3+]CC1(CCNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000652239869 424117032 /nfs/dbraw/zinc/11/70/32/424117032.db2.gz HCKHNNBZMNKMSN-CQSZACIVSA-N 2 0 294.443 1.243 10 0 CDAERP CC(C)(C)[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]CC2)C(N)=O ZINC000652338462 424257605 /nfs/dbraw/zinc/25/76/05/424257605.db2.gz FIPLFVZZHZGWIY-CQSZACIVSA-N 2 0 275.396 1.322 10 0 CDAERP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000660835075 424279286 /nfs/dbraw/zinc/27/92/86/424279286.db2.gz CZFBNYAVTSMIBO-HUUCEWRRSA-N 2 0 296.459 1.500 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000195129950 265114055 /nfs/dbraw/zinc/11/40/55/265114055.db2.gz SOQCZAUTXAQEJQ-KGLIPLIRSA-N 2 0 284.448 1.356 10 0 CDAERP C[N@H+](CCNC(=O)NC[C@H]1CC[NH+]1C(C)(C)C)C1CC1 ZINC000660842508 424319867 /nfs/dbraw/zinc/31/98/67/424319867.db2.gz WLQZKCVXNXYFCA-CYBMUJFWSA-N 2 0 282.432 1.253 10 0 CDAERP CC[C@H]1CCCC[N@@H+]1CCNC(=O)CC1([NH3+])CC1 ZINC000662731793 424387953 /nfs/dbraw/zinc/38/79/53/424387953.db2.gz BSVPEPPQWGUPQV-LBPRGKRZSA-N 2 0 253.390 1.249 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2ccc3c(c2)C[NH2+]C3)C1 ZINC000655488520 424506222 /nfs/dbraw/zinc/50/62/22/424506222.db2.gz CFVKZXBMTZLFCZ-WGRBQBNCSA-N 2 0 273.380 1.360 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000655489271 424506307 /nfs/dbraw/zinc/50/63/07/424506307.db2.gz NVFBSFTYOOYFNY-LJISPDSOSA-N 2 0 281.444 1.741 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000655489411 424507312 /nfs/dbraw/zinc/50/73/12/424507312.db2.gz QNJBKEJXZNEGFS-PMOUVXMZSA-N 2 0 279.428 1.079 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]2[NH2+]CCc3ccccc32)C1 ZINC000655488861 424509441 /nfs/dbraw/zinc/50/94/41/424509441.db2.gz HRVWSBSMWKCYGW-BJJXKVORSA-N 2 0 287.407 1.330 10 0 CDAERP CO[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])[C@H]1CCOC1 ZINC000665234607 424468336 /nfs/dbraw/zinc/46/83/36/424468336.db2.gz HCFQJJKDBFIRPF-IGQOVBAYSA-N 2 0 256.390 1.288 10 0 CDAERP CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)C(C)C ZINC001667399780 1173263770 /nfs/dbraw/zinc/26/37/70/1173263770.db2.gz CSTUZLSLLVUEHC-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP C1CC2(C1)[NH2+]CC[C@@H]2[NH2+]C1CCC2(CC1)OCCO2 ZINC000530215525 271157866 /nfs/dbraw/zinc/15/78/66/271157866.db2.gz HAWORQYTPOQNRR-ZDUSSCGKSA-N 2 0 266.385 1.546 10 0 CDAERP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cc(CO)ccc2F)C1 ZINC000530216337 271158534 /nfs/dbraw/zinc/15/85/34/271158534.db2.gz ATABDCGYXLEGSL-LBPRGKRZSA-N 2 0 266.360 1.879 10 0 CDAERP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1c2ccccc2C(=O)N1C ZINC000530222121 271163444 /nfs/dbraw/zinc/16/34/44/271163444.db2.gz FVVXMZPHYJUGLL-DAXOMENPSA-N 2 0 287.407 1.791 10 0 CDAERP C[C@H](CC[NH2+]Cc1cncc(F)c1)NC(=O)CC[NH+](C)C ZINC001668198716 1173380880 /nfs/dbraw/zinc/38/08/80/1173380880.db2.gz XWNCSVLBWDRXEW-GFCCVEGCSA-N 2 0 296.390 1.157 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353690081 276327931 /nfs/dbraw/zinc/32/79/31/276327931.db2.gz RGKCKKQTFNNGMR-BRWVUGGUSA-N 3 0 297.487 1.807 10 0 CDAERP C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000253624204 277049060 /nfs/dbraw/zinc/04/90/60/277049060.db2.gz CRSPHNDXFAOJLO-RDBSUJKOSA-N 2 0 265.401 1.071 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCN(C)C1CCCCC1 ZINC000422706482 277245740 /nfs/dbraw/zinc/24/57/40/277245740.db2.gz UJVJDSJRFYZCIP-CQSZACIVSA-N 2 0 271.449 1.594 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H](OC)c1ccccc1 ZINC000422728782 277259866 /nfs/dbraw/zinc/25/98/66/277259866.db2.gz AQHWXSIUUBXEFW-GJZGRUSLSA-N 2 0 266.385 1.718 10 0 CDAERP C[C@@H](NC(=O)N1CC[NH+](C2CCCCC2)CC1)[C@H](C)[NH3+] ZINC000335306128 278323143 /nfs/dbraw/zinc/32/31/43/278323143.db2.gz RDWGMFPFJKKQQJ-QWHCGFSZSA-N 2 0 282.432 1.382 10 0 CDAERP CC[N@H+](CC(=O)N(C)[C@H]1CC[NH+](C2CC2)C1)C1CC1 ZINC000343898825 279047973 /nfs/dbraw/zinc/04/79/73/279047973.db2.gz PCDVLFRKYHFFTB-AWEZNQCLSA-N 2 0 265.401 1.166 10 0 CDAERP CC[NH+](CC)CC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113222207 279089325 /nfs/dbraw/zinc/08/93/25/279089325.db2.gz VFDQXEHPDBZAPA-QWHCGFSZSA-N 2 0 253.390 1.023 10 0 CDAERP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC(C)(C)C[C@@H]2C)CC1 ZINC000412019543 279259518 /nfs/dbraw/zinc/25/95/18/279259518.db2.gz FRUUWWHMGKBMQR-ZDUSSCGKSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000246365866 280274670 /nfs/dbraw/zinc/27/46/70/280274670.db2.gz ITVUWWTZBOFDIW-HUUCEWRRSA-N 2 0 296.459 1.310 10 0 CDAERP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000245958126 280275454 /nfs/dbraw/zinc/27/54/54/280275454.db2.gz MGBZQWAJIPYVOF-KKUMJFAQSA-N 2 0 275.396 1.531 10 0 CDAERP CCC[NH2+]CCN(CC)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001668435859 1173412890 /nfs/dbraw/zinc/41/28/90/1173412890.db2.gz WWDGRLWTJCAMFG-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP CC1(C)CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC[C@@H]1[NH3+] ZINC000262139061 281202018 /nfs/dbraw/zinc/20/20/18/281202018.db2.gz XBASEXIIPYGNAP-XUXIUFHCSA-N 2 0 279.428 1.493 10 0 CDAERP C[C@@H]1C[C@H](C)N(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)C[C@@H]1C[NH3+] ZINC000422540758 288659886 /nfs/dbraw/zinc/65/98/86/288659886.db2.gz MOJUOHFGOWYUMK-QMVSFRDZSA-N 2 0 267.417 1.206 10 0 CDAERP CCN(CC[NH2+]Cc1cnoc1C)C(=O)C[NH+]1CCCC1 ZINC001668645839 1173436527 /nfs/dbraw/zinc/43/65/27/1173436527.db2.gz QXLVMJZLYJNLKQ-UHFFFAOYSA-N 2 0 294.399 1.017 10 0 CDAERP C[NH+](C)C[C@@](C)(O)C[NH2+][C@H]1CCCC12CCOCC2 ZINC000376590832 289206901 /nfs/dbraw/zinc/20/69/01/289206901.db2.gz QSUVJVVHSNCPMS-KBPBESRZSA-N 2 0 270.417 1.238 10 0 CDAERP CC(=O)NC1CCC([NH2+][C@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000155237876 289232315 /nfs/dbraw/zinc/23/23/15/289232315.db2.gz TXBJBEASESBCON-WPPJOMGTSA-N 2 0 279.428 1.649 10 0 CDAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000423458462 289789279 /nfs/dbraw/zinc/78/92/79/289789279.db2.gz GXWUGEBAEPUTMM-ZDEQEGDKSA-N 2 0 250.390 1.772 10 0 CDAERP C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000335030320 289796006 /nfs/dbraw/zinc/79/60/06/289796006.db2.gz BTDDIIVVNKOYFQ-CABZTGNLSA-N 2 0 283.322 1.433 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CC(C)(C)c1ccccn1 ZINC000423142572 293095434 /nfs/dbraw/zinc/09/54/34/293095434.db2.gz APHSRLRTSNBRAN-ZDUSSCGKSA-N 2 0 265.401 1.703 10 0 CDAERP O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000562809797 293201105 /nfs/dbraw/zinc/20/11/05/293201105.db2.gz KSDGZIHFHYAUBH-JKQORVJESA-N 2 0 291.439 1.509 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NC[C@H]([NH3+])c2ccccc2)CC[NH2+]1 ZINC000563100184 293274509 /nfs/dbraw/zinc/27/45/09/293274509.db2.gz UBMMNGIKOXGACI-UBHSHLNASA-N 2 0 261.369 1.191 10 0 CDAERP CC(C)c1noc(CCC[NH2+]C[C@H](O)CN(C)C2CC2)n1 ZINC000564445130 293357499 /nfs/dbraw/zinc/35/74/99/293357499.db2.gz YXMGZKIEZQIBBX-ZDUSSCGKSA-N 2 0 296.415 1.170 10 0 CDAERP CON1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000421879954 293370072 /nfs/dbraw/zinc/37/00/72/293370072.db2.gz PSIVOFUZULWDDY-KFWWJZLASA-N 2 0 267.417 1.475 10 0 CDAERP FC(F)[C@@H]1C[NH2+]CCN1CCC[NH+]1CCCCC1 ZINC000571208735 294389205 /nfs/dbraw/zinc/38/92/05/294389205.db2.gz HIXXZMVLEHWJLW-LBPRGKRZSA-N 2 0 261.360 1.401 10 0 CDAERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CC[C@H]3CCC[C@@H]3C2)CC1 ZINC000575039735 295089817 /nfs/dbraw/zinc/08/98/17/295089817.db2.gz CCBLPDHOKOTPRJ-QBPKDAKJSA-N 2 0 295.471 1.153 10 0 CDAERP COc1ccc(C[C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])cc1OC ZINC000415011466 295141021 /nfs/dbraw/zinc/14/10/21/295141021.db2.gz HWUBUCMQBUNGLA-QJPTWQEYSA-N 2 0 266.385 1.960 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCC1CC[NH2+]CC1 ZINC000251669469 297100542 /nfs/dbraw/zinc/10/05/42/297100542.db2.gz HGUXHMTXXGMPCS-HIFRSBDPSA-N 2 0 251.418 1.545 10 0 CDAERP C[C@]([NH3+])(C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000261649337 300723499 /nfs/dbraw/zinc/72/34/99/300723499.db2.gz AJFKCGNRROGNIR-CZUORRHYSA-N 2 0 275.396 1.446 10 0 CDAERP C[C@]1(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CCC[NH2+]C1 ZINC000336232913 300774649 /nfs/dbraw/zinc/77/46/49/300774649.db2.gz HNCGUHFJNRTOOP-INIZCTEOSA-N 2 0 291.370 1.800 10 0 CDAERP CC(C)CCC[NH2+]C[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001669559376 1173569179 /nfs/dbraw/zinc/56/91/79/1173569179.db2.gz MJLASDBIMKVFMX-GOEBONIOSA-N 2 0 295.471 1.859 10 0 CDAERP [NH3+]C1(CNC(=O)N2CCC3(CC[NH2+]C3)CC2)CCCCC1 ZINC000334925620 303357631 /nfs/dbraw/zinc/35/76/31/303357631.db2.gz NOOLNUKOJRCKCY-UHFFFAOYSA-N 2 0 294.443 1.433 10 0 CDAERP CC[NH+]1CCC(CC[NH2+][C@@H](C)CS(C)(=O)=O)CC1 ZINC000183031497 323315175 /nfs/dbraw/zinc/31/51/75/323315175.db2.gz AWDSQEVAPKYNBZ-LBPRGKRZSA-N 2 0 276.446 1.131 10 0 CDAERP CC(C)c1noc(CCC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000580096004 324372018 /nfs/dbraw/zinc/37/20/18/324372018.db2.gz OYYMTOPZAAPVKL-VXGBXAGGSA-N 2 0 266.389 1.985 10 0 CDAERP [NH3+]Cc1ccc(CNC(=O)COC2CCC([NH3+])CC2)cc1 ZINC000583265327 325140933 /nfs/dbraw/zinc/14/09/33/325140933.db2.gz ZKPPXYFTCAWAJO-UHFFFAOYSA-N 2 0 291.395 1.048 10 0 CDAERP C[NH2+]CCC1CCN(C(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000583439804 325175604 /nfs/dbraw/zinc/17/56/04/325175604.db2.gz SSJFSPQUONPVLJ-UHFFFAOYSA-N 2 0 275.396 1.607 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000583872026 325256827 /nfs/dbraw/zinc/25/68/27/325256827.db2.gz MFJRYRBKZWJIHY-NWDGAFQWSA-N 3 0 273.384 1.791 10 0 CDAERP O=C(NCCC[NH+]1CCCC1)[C@@H]1CC[C@H]2CCCC[C@H]2[NH2+]1 ZINC000250846506 1159308416 /nfs/dbraw/zinc/30/84/16/1159308416.db2.gz NEWVNFJBOWZJSK-OAGGEKHMSA-N 2 0 293.455 1.899 10 0 CDAERP CC[C@H](C(=O)N(C)CC[NH2+]CC=C(Cl)Cl)[NH+](C)C ZINC001267389839 1159365690 /nfs/dbraw/zinc/36/56/90/1159365690.db2.gz GOMMNNPERJNLAW-SNVBAGLBSA-N 2 0 296.242 1.694 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC ZINC001699263568 1176185797 /nfs/dbraw/zinc/18/57/97/1176185797.db2.gz LOBUGPOKGKTMOF-URWSZGRFSA-N 2 0 253.390 1.143 10 0 CDAERP CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001699405531 1176372344 /nfs/dbraw/zinc/37/23/44/1176372344.db2.gz AHZNNQFHKJKZRG-JSGCOSHPSA-N 2 0 267.417 1.508 10 0 CDAERP CCC[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001699459798 1159660542 /nfs/dbraw/zinc/66/05/42/1159660542.db2.gz IUUFYEZGUCLUAC-QWHCGFSZSA-N 2 0 255.406 1.175 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001699966512 1176699960 /nfs/dbraw/zinc/69/99/60/1176699960.db2.gz BWISTKYJTWBDBR-KBPBESRZSA-N 2 0 269.433 1.278 10 0 CDAERP COCC[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)[C@H]1C ZINC001700886572 1160066428 /nfs/dbraw/zinc/06/64/28/1160066428.db2.gz DHFCDYIJWQCLOO-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@@H]1CCC[C@](CNC(=O)CC2([NH3+])CC2)([NH+](C)C)C1 ZINC000398065189 482241904 /nfs/dbraw/zinc/24/19/04/482241904.db2.gz HPEBAGVDCVASFE-DOMZBBRYSA-N 2 0 267.417 1.495 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000227391335 482452018 /nfs/dbraw/zinc/45/20/18/482452018.db2.gz OJWPLCCDDLIHGU-RRFJBIMHSA-N 2 0 279.428 1.448 10 0 CDAERP O[C@@H]1C[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C12CCC2 ZINC000668622896 482492694 /nfs/dbraw/zinc/49/26/94/482492694.db2.gz GCTGWKDEOCNKFA-HZPDHXFCSA-N 2 0 287.407 1.944 10 0 CDAERP C[NH+](C)C[C@@H](NC(=O)C[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000054308677 482550756 /nfs/dbraw/zinc/55/07/56/482550756.db2.gz FCKFPRRZVDAOPO-GDBMZVCRSA-N 2 0 289.423 1.795 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000669540668 482624737 /nfs/dbraw/zinc/62/47/37/482624737.db2.gz AAOAGYLJOFJWJQ-YMAMQOFZSA-N 2 0 296.459 1.548 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C[C@@H](C[NH3+])CC(C)C ZINC000092630322 482630105 /nfs/dbraw/zinc/63/01/05/482630105.db2.gz UHFPLIUFVFJGDS-LSDHHAIUSA-N 2 0 283.460 1.940 10 0 CDAERP C[C@@H](CC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)C1CC[NH2+]CC1 ZINC000334267573 482715954 /nfs/dbraw/zinc/71/59/54/482715954.db2.gz NVIDPQLJILQTGD-WMLDXEAASA-N 2 0 293.455 1.614 10 0 CDAERP CO[C@@H]1CCC[C@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)C1 ZINC000684366899 482775688 /nfs/dbraw/zinc/77/56/88/482775688.db2.gz GPHJCAIZCKFROV-JKSUJKDBSA-N 2 0 283.460 1.560 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000228227520 482786756 /nfs/dbraw/zinc/78/67/56/482786756.db2.gz OJWPLCCDDLIHGU-KKUMJFAQSA-N 2 0 279.428 1.448 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1CCC([NH3+])CC1 ZINC000094459737 482789686 /nfs/dbraw/zinc/78/96/86/482789686.db2.gz IICFWTFQPUHRAM-BLYZHGLHSA-N 2 0 265.401 1.199 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000517338266 482792199 /nfs/dbraw/zinc/79/21/99/482792199.db2.gz QPSHHSHZHJGCAU-GDBMZVCRSA-N 2 0 296.459 1.502 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CCC[N@H+](C)C1)[NH+](CC)CC ZINC000673662845 482805113 /nfs/dbraw/zinc/80/51/13/482805113.db2.gz STYDOSRBEREXQF-QWHCGFSZSA-N 2 0 255.406 1.317 10 0 CDAERP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000389585722 482838148 /nfs/dbraw/zinc/83/81/48/482838148.db2.gz MXEFDOXBKOXKDU-TZMCWYRMSA-N 2 0 253.390 1.119 10 0 CDAERP C[NH2+]CCC1CCN(C(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000669403056 482887115 /nfs/dbraw/zinc/88/71/15/482887115.db2.gz HCIPOMFJDLRDTH-CQSZACIVSA-N 2 0 282.432 1.112 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCC[C@@H]([NH3+])C(C)C)C1 ZINC000659468341 482900912 /nfs/dbraw/zinc/90/09/12/482900912.db2.gz YNWQCAOFSGNOES-HUUCEWRRSA-N 2 0 298.475 1.637 10 0 CDAERP COC[C@@H](CC1CCOCC1)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000657876852 482907940 /nfs/dbraw/zinc/90/79/40/482907940.db2.gz OELZDDJTDQLWAV-HZPDHXFCSA-N 2 0 284.444 1.750 10 0 CDAERP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC/C=C\C[NH3+])C1 ZINC000669406521 482908760 /nfs/dbraw/zinc/90/87/60/482908760.db2.gz VAQUUPCJACLBQL-DSYXLKISSA-N 2 0 282.432 1.311 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1CC(=O)NC1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000261842014 482935119 /nfs/dbraw/zinc/93/51/19/482935119.db2.gz PPPFFRGZVWXRET-WQTKDJSGSA-N 2 0 279.428 1.526 10 0 CDAERP Cc1cc(C)n2c(CN[C@H]3C[NH2+]CC[C@H]3C)cnc2n1 ZINC000666860520 482953908 /nfs/dbraw/zinc/95/39/08/482953908.db2.gz PHUSNPUCAOTSCK-YGRLFVJLSA-N 2 0 273.384 1.434 10 0 CDAERP C[C@@H]1[NH2+]CCC[C@H]1NCc1ccc(C(=O)NC2CC2)cc1 ZINC000666884400 482961903 /nfs/dbraw/zinc/96/19/03/482961903.db2.gz OTSXJZFZLSMHQS-BLLLJJGKSA-N 2 0 287.407 1.809 10 0 CDAERP C[NH+](C)C1(CNC(=O)[C@H]2CCC[C@H]2C[NH3+])CCCCC1 ZINC000089459340 483085935 /nfs/dbraw/zinc/08/59/35/483085935.db2.gz KLSFTSPDAFUJDD-KBPBESRZSA-N 2 0 281.444 1.742 10 0 CDAERP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089462291 483088284 /nfs/dbraw/zinc/08/82/84/483088284.db2.gz VWURDXHUMSELPC-ZIAGYGMSSA-N 2 0 267.417 1.162 10 0 CDAERP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000675554500 483330212 /nfs/dbraw/zinc/33/02/12/483330212.db2.gz ZQXAXOUKSOJECO-YUELXQCFSA-N 2 0 279.428 1.317 10 0 CDAERP C[NH+]1CC[C@H]2[C@H](CCCN2C(=O)N[C@H]2CCC[N@@H+](C)C2)C1 ZINC000679374653 483352721 /nfs/dbraw/zinc/35/27/21/483352721.db2.gz ZJJBUTSEGKCMDR-ILXRZTDVSA-N 2 0 294.443 1.206 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000136406796 483402316 /nfs/dbraw/zinc/40/23/16/483402316.db2.gz PHWNYNIVRDHION-CQSZACIVSA-N 2 0 269.433 1.693 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)CC[NH2+]Cc1ccc(F)cc1 ZINC001691542581 1160664258 /nfs/dbraw/zinc/66/42/58/1160664258.db2.gz MBFDAFXDHADLOP-UHFFFAOYSA-N 2 0 295.402 1.716 10 0 CDAERP CCC[NH+]1CCN(C(=O)[C@@H]2CCC[C@H](C)[C@@H]2[NH3+])CC1 ZINC000055124565 519856476 /nfs/dbraw/zinc/85/64/76/519856476.db2.gz QJBUVWIVYCQMQG-MJBXVCDLSA-N 2 0 267.417 1.304 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000061296565 519903791 /nfs/dbraw/zinc/90/37/91/519903791.db2.gz WBNMIFRCRYUYEO-UHFFFAOYSA-N 2 0 269.433 1.707 10 0 CDAERP CC[NH2+]Cc1cc(CN2CC[NH+](CC)CC2)c(C)o1 ZINC000052422525 519989954 /nfs/dbraw/zinc/98/99/54/519989954.db2.gz OJALVSVUPFYOBB-UHFFFAOYSA-N 2 0 265.401 1.835 10 0 CDAERP CC[NH2+]Cc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000052422464 519996438 /nfs/dbraw/zinc/99/64/38/519996438.db2.gz PZGLTNAIZSOYEA-UHFFFAOYSA-N 2 0 261.413 1.934 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001724244151 1178163061 /nfs/dbraw/zinc/16/30/61/1178163061.db2.gz KDXBQOMHVYJHKA-UKRRQHHQSA-N 2 0 287.423 1.514 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001670885691 1161201875 /nfs/dbraw/zinc/20/18/75/1161201875.db2.gz ZSGSJOMHOIHFSB-CYBMUJFWSA-N 2 0 267.417 1.367 10 0 CDAERP CCCC[N@H+](C)CC1CCN(C(=O)CC[NH2+]CC)CC1 ZINC000061296620 520398169 /nfs/dbraw/zinc/39/81/69/520398169.db2.gz RXMWSMHZVHQFFT-UHFFFAOYSA-N 2 0 283.460 1.957 10 0 CDAERP CCO[C@H]1CCC[N@H+](Cc2ccnc(C(N)=[NH2+])c2)C1 ZINC000068761534 520527934 /nfs/dbraw/zinc/52/79/34/520527934.db2.gz PERXPHSZLLCARF-LBPRGKRZSA-N 2 0 262.357 1.367 10 0 CDAERP CCCN(CC[NH+](C)C)CC1(C[NH2+]CC)CCOCC1 ZINC000052183218 521656236 /nfs/dbraw/zinc/65/62/36/521656236.db2.gz FSPJSSRTZKKOBH-UHFFFAOYSA-N 2 0 285.476 1.666 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]CCCF)C1 ZINC001714416567 1179130186 /nfs/dbraw/zinc/13/01/86/1179130186.db2.gz AWEAKEBFEOGMEJ-UONOGXRCSA-N 2 0 287.423 1.703 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@@H](C[NH2+]C/C=C/Cl)C1CC1 ZINC001723353244 1181542901 /nfs/dbraw/zinc/54/29/01/1181542901.db2.gz LIPTYVCSOQRUFU-YIALFULDSA-N 2 0 285.819 1.319 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC)[C@@H]2C1 ZINC001410927824 1161964110 /nfs/dbraw/zinc/96/41/10/1161964110.db2.gz PHWIQEOEEKOYJU-XHSDSOJGSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@@H](C[NH2+]CCF)C1 ZINC001734482720 1183781687 /nfs/dbraw/zinc/78/16/87/1183781687.db2.gz OPRVLJKWEDWVQB-OLZOCXBDSA-N 2 0 273.396 1.172 10 0 CDAERP C(CN1CCC[NH2+]CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000061275186 518389760 /nfs/dbraw/zinc/38/97/60/518389760.db2.gz CKWWQQJMIUTZTL-UHFFFAOYSA-N 2 0 294.487 1.232 10 0 CDAERP CC(C)(C)[NH+]1CCC(NC(=O)CCCC[NH3+])CC1 ZINC000070202335 518705779 /nfs/dbraw/zinc/70/57/79/518705779.db2.gz RLCFXNCAOUXJTA-UHFFFAOYSA-N 2 0 255.406 1.495 10 0 CDAERP CC(C)C[N@@H+]1CCO[C@H](CN2[C@@H](C)C[NH2+]C[C@@H]2C)C1 ZINC000069134581 519729788 /nfs/dbraw/zinc/72/97/88/519729788.db2.gz NFNPUSZYPOYEOS-KKUMJFAQSA-N 2 0 269.433 1.025 10 0 CDAERP CC(C)CNC(=[NH2+])NC1CC([NH+]2CCCCC2)C1 ZINC000365410754 519733179 /nfs/dbraw/zinc/73/31/79/519733179.db2.gz BCVCYJBYPUVMSR-UHFFFAOYSA-N 2 0 252.406 1.773 10 0 CDAERP CC(C)C[NH2+]Cc1cc(CN2CCC[C@@H]2C[NH+](C)C)on1 ZINC000061654435 519746637 /nfs/dbraw/zinc/74/66/37/519746637.db2.gz VVYUJPCRMAHVNZ-OAHLLOKOSA-N 2 0 294.443 1.946 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000055090092 519814255 /nfs/dbraw/zinc/81/42/55/519814255.db2.gz NCCKWBIJQPTXCD-AVGNSLFASA-N 2 0 255.406 1.206 10 0 CDAERP CC(C)[C@H](CNC(=O)CC[C@@H]1CCCC[NH2+]1)[NH+](C)C ZINC000050950050 519815269 /nfs/dbraw/zinc/81/52/69/519815269.db2.gz MUWNCSBHDWMSJA-KBPBESRZSA-N 2 0 269.433 1.611 10 0 CDAERP CCC[NH+]1CCN(C(=O)[C@H]2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000055146088 519856429 /nfs/dbraw/zinc/85/64/29/519856429.db2.gz XQYNOICLYFJWQS-GJZGRUSLSA-N 2 0 281.444 1.696 10 0 CDAERP CC(C)c1ncc(N2CC[NH+](CC3CC3)CC2)c(C[NH3+])n1 ZINC000051398236 519876997 /nfs/dbraw/zinc/87/69/97/519876997.db2.gz CEXGNOYGDXQAOQ-UHFFFAOYSA-N 2 0 289.427 1.591 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000061298350 519905245 /nfs/dbraw/zinc/90/52/45/519905245.db2.gz LCAQQRKBNGDULC-UHFFFAOYSA-N 2 0 269.433 1.755 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)NC[C@@H](C(CC)CC)[NH+](C)C ZINC000061298642 519905255 /nfs/dbraw/zinc/90/52/55/519905255.db2.gz XTLKGVOYLGJEKG-ZDUSSCGKSA-N 2 0 271.449 1.857 10 0 CDAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)Cn1cccn1 ZINC000054629757 519910511 /nfs/dbraw/zinc/91/05/11/519910511.db2.gz YDLDHWRBRDDKSY-AVOUXACISA-N 2 0 262.401 1.877 10 0 CDAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1nccn1C ZINC000054628885 519911125 /nfs/dbraw/zinc/91/11/25/519911125.db2.gz ZJORPAMDFINHQQ-AGUYFDCRSA-N 2 0 262.401 1.568 10 0 CDAERP CC[NH2+]CC1(CN2CC[NH+](C(C)(C)C)CC2)CCOCC1 ZINC000052197617 519912770 /nfs/dbraw/zinc/91/27/70/519912770.db2.gz YQMCTRBHQYUBKZ-UHFFFAOYSA-N 2 0 297.487 1.809 10 0 CDAERP CCC[NH2+]CC[C@@H](C)[N@H+](CCCOC)CCOC ZINC000052543325 519918577 /nfs/dbraw/zinc/91/85/77/519918577.db2.gz RKIPLSIRDBMBCX-CQSZACIVSA-N 2 0 260.422 1.750 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000061234628 519941910 /nfs/dbraw/zinc/94/19/10/519941910.db2.gz CWGHXDRRFREUAZ-CYBMUJFWSA-N 2 0 293.411 1.811 10 0 CDAERP CC[NH2+]Cc1cn(CC[N@@H+]2CCc3ccccc3C2)nn1 ZINC000052419122 520013298 /nfs/dbraw/zinc/01/32/98/520013298.db2.gz HCONNNCYEXNKAE-UHFFFAOYSA-N 2 0 285.395 1.446 10 0 CDAERP CC[NH2+][C@@H]1CCCC[C@@H]1C[NH+]1CCC(CO)CC1 ZINC000060720549 520117400 /nfs/dbraw/zinc/11/74/00/520117400.db2.gz MTHPAAVEVDLAJW-HUUCEWRRSA-N 2 0 254.418 1.859 10 0 CDAERP CC[NH2+][C@@](C)(CO)C[C@@H](C)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000070337554 520136940 /nfs/dbraw/zinc/13/69/40/520136940.db2.gz DLAFPROQNVXLKT-IXDOHACOSA-N 2 0 297.487 1.686 10 0 CDAERP CCO[C@H]1CCC[N@H+](Cc2occc2C[NH2+]C)C1 ZINC000052372134 520526502 /nfs/dbraw/zinc/52/65/02/520526502.db2.gz KYBRKBMZSVAULB-ZDUSSCGKSA-N 2 0 252.358 2.000 10 0 CDAERP CC[NH+](CC)CCNC(=O)[C@@H]1CC[C@H]([NH3+])C[C@@H]1C ZINC000055123018 520679142 /nfs/dbraw/zinc/67/91/42/520679142.db2.gz DFNAKPFSLCURBB-RWMBFGLXSA-N 2 0 255.406 1.208 10 0 CDAERP CCC[C@H](C[NH3+])C(=O)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055071276 521099789 /nfs/dbraw/zinc/09/97/89/521099789.db2.gz YHZBRBHZZVKQFH-QWHCGFSZSA-N 2 0 255.406 1.304 10 0 CDAERP CCC[C@H](O)[C@@H](CC)[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061652699 521190932 /nfs/dbraw/zinc/19/09/32/521190932.db2.gz JVVAUHDNHWNWBZ-CABCVRRESA-N 2 0 271.449 1.105 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@@H]([NH3+])CC[C@@H]2C)CC1 ZINC000055129392 521555316 /nfs/dbraw/zinc/55/53/16/521555316.db2.gz GVDGRHZYIAJBMA-KCQAQPDRSA-N 2 0 281.444 1.693 10 0 CDAERP CC[NH+]1CCC(N(C)Cc2ccc(C[NH3+])o2)CC1 ZINC000052543999 521565509 /nfs/dbraw/zinc/56/55/09/521565509.db2.gz PIUXYZMIAFJKPS-UHFFFAOYSA-N 2 0 251.374 1.654 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000226407210 521609001 /nfs/dbraw/zinc/60/90/01/521609001.db2.gz LKWQXYDQUIXCGA-KKUMJFAQSA-N 2 0 281.444 1.755 10 0 CDAERP CCOC1CC[NH+](Cc2ccoc2C[NH2+]C)CC1 ZINC000052484007 521656725 /nfs/dbraw/zinc/65/67/25/521656725.db2.gz LOARTCZGDFQYLV-UHFFFAOYSA-N 2 0 252.358 2.000 10 0 CDAERP CC[NH+]1CCN(Cc2cc(C)c(C[NH2+]C)o2)CC1 ZINC000052422586 521687989 /nfs/dbraw/zinc/68/79/89/521687989.db2.gz ZDLGOTCTTGFMFQ-UHFFFAOYSA-N 2 0 251.374 1.445 10 0 CDAERP C[NH+](C)CCN1CCN(C[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000061652488 521765672 /nfs/dbraw/zinc/76/56/72/521765672.db2.gz CDFLZTRMIWNEEG-ULQDDVLXSA-N 2 0 294.487 1.086 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000061645072 521827431 /nfs/dbraw/zinc/82/74/31/521827431.db2.gz IUFFRHCVZOAMDQ-LSDHHAIUSA-N 2 0 275.396 1.629 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)C1CCC([NH3+])CC1 ZINC000061644988 521861019 /nfs/dbraw/zinc/86/10/19/521861019.db2.gz ZHSCUUDDGGWHBX-WXRRBKDZSA-N 2 0 253.390 1.057 10 0 CDAERP C[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)CCc2ccccn2)O1 ZINC000052423956 522093628 /nfs/dbraw/zinc/09/36/28/522093628.db2.gz UHKUQYXLIHEQJS-CABCVRRESA-N 2 0 263.385 1.323 10 0 CDAERP C[NH2+]Cc1ccc(OCC[NH+](CCOC)CCOC)cc1 ZINC000052571424 522123273 /nfs/dbraw/zinc/12/32/73/522123273.db2.gz UVNKOVSBJVKNQX-UHFFFAOYSA-N 2 0 296.411 1.380 10 0 CDAERP C[NH2+]Cc1cnc(N2CCC([NH+](C)C)CC2)s1 ZINC000054903716 522145093 /nfs/dbraw/zinc/14/50/93/522145093.db2.gz HXJKUIJYBUEIBQ-UHFFFAOYSA-N 2 0 254.403 1.393 10 0 CDAERP C[NH2+]Cc1nc(CN2CCC[C@H]2C[NH+](C)C)cs1 ZINC000061654724 522152825 /nfs/dbraw/zinc/15/28/25/522152825.db2.gz RDYYBKROCPSQQN-LBPRGKRZSA-N 2 0 268.430 1.389 10 0 CDAERP C[NH2+][C@@H]1CCCC[C@@H]1CN1CCC([NH+](C)C)CC1 ZINC000053858188 522378432 /nfs/dbraw/zinc/37/84/32/522378432.db2.gz IXGKOPFQFIAXPW-UKRRQHHQSA-N 2 0 253.434 1.791 10 0 CDAERP C[NH2+][C@@H]1CCCC[C@@H]1CN1CCC[C@@H]1C[NH+](C)C ZINC000061653654 522378568 /nfs/dbraw/zinc/37/85/68/522378568.db2.gz GIZHJMQSNAZVPE-RBSFLKMASA-N 2 0 253.434 1.791 10 0 CDAERP C[N@H+](Cc1ccnc(C(N)=[NH2+])c1)[C@@H]1CCSC1 ZINC000068761129 523451005 /nfs/dbraw/zinc/45/10/05/523451005.db2.gz SHSSPFIFDUSYBH-SNVBAGLBSA-N 2 0 250.371 1.303 10 0 CDAERP CN([C@H]1Cc2ccccc2[C@@H]1[NH3+])C1CC[NH+](C)CC1 ZINC000052684841 523629205 /nfs/dbraw/zinc/62/92/05/523629205.db2.gz FWGDQNQKONLACY-HOTGVXAUSA-N 2 0 259.397 1.637 10 0 CDAERP CC[C@@](C)(C[NH3+])CN1CC[NH+](C2CCCC2)CC1 ZINC000052063746 523640429 /nfs/dbraw/zinc/64/04/29/523640429.db2.gz BKZSJFWSHGAIBZ-HNNXBMFYSA-N 2 0 253.434 1.922 10 0 CDAERP C[NH+]1CCC(OC(=O)CC[C@@H]2CCCC[NH2+]2)CC1 ZINC000050928839 523779721 /nfs/dbraw/zinc/77/97/21/523779721.db2.gz FWBXQPZNOCSVEX-LBPRGKRZSA-N 2 0 254.374 1.546 10 0 CDAERP CN(C(=O)[C@@H]1CCC[C@H](CC[NH3+])C1)C1CC[NH+](C)CC1 ZINC000055145649 523896905 /nfs/dbraw/zinc/89/69/05/523896905.db2.gz XPJIVNQOVNSHQR-ZIAGYGMSSA-N 2 0 281.444 1.694 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000061613489 523949010 /nfs/dbraw/zinc/94/90/10/523949010.db2.gz WSJHQUCBVAVAOW-HOCLYGCPSA-N 2 0 289.423 1.672 10 0 CDAERP COCC[NH2+]Cc1ccccc1N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000062738203 523954508 /nfs/dbraw/zinc/95/45/08/523954508.db2.gz YXKSCOGJYIPDCT-MRXNPFEDSA-N 2 0 291.439 1.953 10 0 CDAERP CO[C@H]1C[NH2+][C@@H](CN2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000062036346 524008998 /nfs/dbraw/zinc/00/89/98/524008998.db2.gz FFYSGMUYCKKXEJ-HZPDHXFCSA-N 2 0 281.444 1.171 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000055087427 524038730 /nfs/dbraw/zinc/03/87/30/524038730.db2.gz WCWKMQFPVVPTIO-OLZOCXBDSA-N 2 0 253.390 1.057 10 0 CDAERP C[NH+](C)CCCNC(=O)[C@@H]1CCC[C@@H](CC[NH3+])C1 ZINC000055145852 524056451 /nfs/dbraw/zinc/05/64/51/524056451.db2.gz DUJWVCGLAMEUOA-QWHCGFSZSA-N 2 0 255.406 1.210 10 0 CDAERP C[NH+](C)CCCOC[C@@H]1CC[C@H](C[NH2+]C2CC2)O1 ZINC000052672646 524058397 /nfs/dbraw/zinc/05/83/97/524058397.db2.gz RXUOKDTZTMAVAP-KGLIPLIRSA-N 2 0 256.390 1.254 10 0 CDAERP CNC(=O)CCC[N@@H+]1CCC[C@@H](C[NH2+]C(C)C)C1 ZINC000068819948 524063532 /nfs/dbraw/zinc/06/35/32/524063532.db2.gz FQNFKOMFVBKRJR-ZDUSSCGKSA-N 2 0 255.406 1.223 10 0 CDAERP C[C@@H]1CCC[NH2+][C@@H]1C(=O)NCC(C)(C)C[NH+](C)C ZINC000051791054 524263640 /nfs/dbraw/zinc/26/36/40/524263640.db2.gz GZYQNHKURMRTIZ-NEPJUHHUSA-N 2 0 255.406 1.079 10 0 CDAERP C[C@@H]1CCC[C@@H](C(=O)N2CCC[C@@H]2C[NH+](C)C)[NH2+]1 ZINC000061652095 524265025 /nfs/dbraw/zinc/26/50/25/524265025.db2.gz QGWMXBSYLJDQMZ-UPJWGTAASA-N 2 0 253.390 1.070 10 0 CDAERP C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCC[C@@H]1CCC[NH2+]1 ZINC000052764501 524342168 /nfs/dbraw/zinc/34/21/68/524342168.db2.gz DVYBGWFMAWHTTJ-XQQFMLRXSA-N 2 0 253.390 1.104 10 0 CDAERP C[C@@H]1C[C@H](C(=O)NCC2CC[NH+](C)CC2)CC[C@@H]1[NH3+] ZINC000055140165 525361537 /nfs/dbraw/zinc/36/15/37/525361537.db2.gz CEVRLFWDTUCPTB-BNOWGMLFSA-N 2 0 267.417 1.208 10 0 CDAERP O[C@H](C[NH+]1CCC(C[NH2+]C2CC2)CC1)C(F)(F)F ZINC000068890158 526271071 /nfs/dbraw/zinc/27/10/71/526271071.db2.gz LKDDBLVZBYTSLO-LLVKDONJSA-N 2 0 266.307 1.374 10 0 CDAERP Cc1occc1C[N@H+](C)CCN1CCC[NH2+]CC1 ZINC000061275272 526823102 /nfs/dbraw/zinc/82/31/02/526823102.db2.gz GWSPHXQYTBWXGV-UHFFFAOYSA-N 2 0 251.374 1.315 10 0 CDAERP [NH3+]CC1CCC(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000062943691 527165141 /nfs/dbraw/zinc/16/51/41/527165141.db2.gz RUHARMPUASFCIZ-YMAMQOFZSA-N 2 0 279.428 1.448 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]1CN1CC[NH+](C2CCCC2)CC1 ZINC000053881188 527352540 /nfs/dbraw/zinc/35/25/40/527352540.db2.gz HDKMWYBACIONJZ-UKRRQHHQSA-N 2 0 251.418 1.674 10 0 CDAERP [NH3+][C@H]1CCCC[C@H]1CC(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC000055123538 527396237 /nfs/dbraw/zinc/39/62/37/527396237.db2.gz XXFGJZPQHYRZBH-MELADBBJSA-N 2 0 265.401 1.104 10 0 CDAERP [NH3+][C@H]1CCC[C@@H](CC(=O)NCC[NH+]2CCCC2)C1 ZINC000055131680 527402776 /nfs/dbraw/zinc/40/27/76/527402776.db2.gz NQFYOGMGJLPHOH-OLZOCXBDSA-N 2 0 253.390 1.106 10 0 CDAERP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000263142334 527678467 /nfs/dbraw/zinc/67/84/67/527678467.db2.gz CKNZLOPTBXHWLT-IAGOWNOFSA-N 2 0 283.375 1.419 10 0 CDAERP CC(C)[NH+](CCCNC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)C(C)C ZINC000417796318 528883761 /nfs/dbraw/zinc/88/37/61/528883761.db2.gz OASPYNXTFJPVIM-LSDHHAIUSA-N 2 0 298.475 1.793 10 0 CDAERP CC[NH+](CC)CCCNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000416821188 535513719 /nfs/dbraw/zinc/51/37/19/535513719.db2.gz UBVXVTTVKKHZEY-GASCZTMLSA-N 2 0 296.459 1.359 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000436311737 535565732 /nfs/dbraw/zinc/56/57/32/535565732.db2.gz URQOSUHFRCNPRZ-QPSCCSFWSA-N 2 0 280.412 1.935 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2C[NH+](C(C)C)C[C@H]2C)C1 ZINC000247000330 535578630 /nfs/dbraw/zinc/57/86/30/535578630.db2.gz GVDSSQFDEPFNQK-ILXRZTDVSA-N 2 0 296.459 1.499 10 0 CDAERP C[NH+](C)Cc1cc(CN[C@@H]2CCC[C@@H]2[NH3+])ccc1F ZINC000422739630 535991458 /nfs/dbraw/zinc/99/14/58/535991458.db2.gz AIMGSGSKZJEPSE-LSDHHAIUSA-N 2 0 265.376 1.857 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCc1cccc(C)c1 ZINC000234721009 536595028 /nfs/dbraw/zinc/59/50/28/536595028.db2.gz LUOJCVHJEXAVGQ-OAHLLOKOSA-N 2 0 250.386 1.881 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCn1cnc2ccccc21 ZINC000422754481 536595138 /nfs/dbraw/zinc/59/51/38/536595138.db2.gz FYTRVVWHJYNVGN-CYBMUJFWSA-N 2 0 276.384 1.380 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H](c1ccco1)N(C)C ZINC000234788460 536850934 /nfs/dbraw/zinc/85/09/34/536850934.db2.gz XBIUZQLKFHGWIW-QWHCGFSZSA-N 2 0 269.389 1.226 10 0 CDAERP COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000414683577 536888866 /nfs/dbraw/zinc/88/88/66/536888866.db2.gz BNSCRACITHPXCG-RBSFLKMASA-N 2 0 299.459 1.223 10 0 CDAERP CC[N@H+](C)[C@H]1CCN(C(=O)NCCCC[NH+](C)C2CC2)C1 ZINC001683165360 1174630639 /nfs/dbraw/zinc/63/06/39/1174630639.db2.gz NESXQTBRGADEQV-HNNXBMFYSA-N 2 0 296.459 1.596 10 0 CDAERP C[N@H+](CCCNC(=O)CC[C@@H]1CCC[NH+]1C)CC1CC1 ZINC001689807954 1175264717 /nfs/dbraw/zinc/26/47/17/1175264717.db2.gz NIFLVVDTNTVNLZ-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@@H](F)C[N@H+](C)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001689834608 1175279511 /nfs/dbraw/zinc/27/95/11/1175279511.db2.gz RECCFOMTIGEIBF-CQSZACIVSA-N 2 0 287.423 1.514 10 0 CDAERP CC1(C)[C@@H]([NH2+]CCc2cccnc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925535829 617469285 /nfs/dbraw/zinc/46/92/85/617469285.db2.gz LMSQIBVYOXXFME-ILXRZTDVSA-N 2 0 259.397 1.990 10 0 CDAERP [NH3+][C@H]1C[C@@H]([NH2+]CCc2cn3ccccc3n2)C12CCC2 ZINC000925535619 617469647 /nfs/dbraw/zinc/46/96/47/617469647.db2.gz HSIKEYRTTKKXIZ-UONOGXRCSA-N 2 0 270.380 1.736 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCOC1(C)C ZINC000926728325 617475953 /nfs/dbraw/zinc/47/59/53/617475953.db2.gz SSTLRVJNOQGNNO-WJLOJVBCSA-N 2 0 252.402 1.731 10 0 CDAERP [NH3+][C@H]1C[C@@H]([NH2+]CCC(=O)N2CCCCCC2)C12CCC2 ZINC000925542041 617484556 /nfs/dbraw/zinc/48/45/56/617484556.db2.gz GIPKZVLXDNYJKF-UONOGXRCSA-N 2 0 279.428 1.639 10 0 CDAERP C[C@@H]1OC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)[C@@H]1C ZINC000925554434 617503336 /nfs/dbraw/zinc/50/33/36/617503336.db2.gz ACAWXCSEJKEGKR-XVLPMQGWSA-N 2 0 282.428 1.377 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925565609 617514697 /nfs/dbraw/zinc/51/46/97/617514697.db2.gz VCZQBINDTKISHN-MQYQWHSLSA-N 2 0 251.418 1.447 10 0 CDAERP CC1(C)[C@H]([NH2+]CC2(CCO)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925646753 617590401 /nfs/dbraw/zinc/59/04/01/617590401.db2.gz VVBDSMDUZAVUOU-FRRDWIJNSA-N 2 0 252.402 1.515 10 0 CDAERP CC(C)S(=O)(=O)CC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925669200 617626618 /nfs/dbraw/zinc/62/66/18/617626618.db2.gz QMYVTFXYRARRCT-NWDGAFQWSA-N 2 0 276.446 1.305 10 0 CDAERP COCC1(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCOCC1 ZINC000925673830 617636201 /nfs/dbraw/zinc/63/62/01/617636201.db2.gz OYAHKSNHHSSDPK-QLFBSQMISA-N 2 0 296.455 1.796 10 0 CDAERP CC1(C)[C@H](NC[C@H]2CCCC[N@@H+]2CCO)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925679959 617652956 /nfs/dbraw/zinc/65/29/56/617652956.db2.gz LYOYZSYCVGEBDG-LVQVYYBASA-N 2 0 295.471 1.199 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCS(=O)(=O)C2CC2)C1 ZINC000925691209 617695596 /nfs/dbraw/zinc/69/55/96/617695596.db2.gz NLAFJQKXANKMBM-QWRGUYRKSA-N 2 0 274.430 1.059 10 0 CDAERP CC(C)C[N@H+](C)CCCN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925708160 617797304 /nfs/dbraw/zinc/79/73/04/617797304.db2.gz GBYCJQFQEJXNHI-ZVDSWSACSA-N 2 0 265.445 1.550 10 0 CDAERP C[C@H](CC1CCOCC1)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925843440 617877080 /nfs/dbraw/zinc/87/70/80/617877080.db2.gz FVMXCRLWBWGQBG-MRXNPFEDSA-N 2 0 297.487 1.857 10 0 CDAERP CC[N@@H+]1CC[C@H](NC[C@]23CCC[C@H]2[NH2+]CC3)[C@H](C)C1 ZINC000925844096 617877961 /nfs/dbraw/zinc/87/79/61/617877961.db2.gz VYHZQVSXMLZWPT-QKPAOTATSA-N 2 0 265.445 1.839 10 0 CDAERP C[C@@H]1COCC[C@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925846908 617881930 /nfs/dbraw/zinc/88/19/30/617881930.db2.gz PVNNKOFRFMFUNF-HUUCEWRRSA-N 2 0 269.433 1.077 10 0 CDAERP [NH3+][C@@H](CCN[C@H]1CC[NH2+]C12CCC2)Cc1ccccc1 ZINC000925726569 617966687 /nfs/dbraw/zinc/96/66/87/617966687.db2.gz UDJTZNLSXCWMJG-HOTGVXAUSA-N 2 0 273.424 1.821 10 0 CDAERP COC[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)C1CCOCC1 ZINC000925881686 617966822 /nfs/dbraw/zinc/96/68/22/617966822.db2.gz DNEFTMJCVQOLPC-KWCYVHTRSA-N 2 0 256.390 1.145 10 0 CDAERP C[C@H]1NCCC[C@@H]1[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925884464 617972910 /nfs/dbraw/zinc/97/29/10/617972910.db2.gz WXUCMNQDBHKREG-SIXLDLHFSA-N 2 0 273.424 1.776 10 0 CDAERP COC(=O)CC[C@H]1CCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923425222 618331470 /nfs/dbraw/zinc/33/14/70/618331470.db2.gz KCLOVCHQNOIMOH-KGLIPLIRSA-N 2 0 296.411 1.030 10 0 CDAERP O[C@@H](CN1CCCC[C@]2(CC[NH2+]C2)C1)CC(F)(F)F ZINC000923427482 618334240 /nfs/dbraw/zinc/33/42/40/618334240.db2.gz JWZZZRPMBPYXLM-VXGBXAGGSA-N 2 0 280.334 1.765 10 0 CDAERP O=C1NCC[C@H]2CCC[N@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@@H]12 ZINC000923427770 618335108 /nfs/dbraw/zinc/33/51/08/618335108.db2.gz VRYVQRXNSNVQFJ-KMVIYXDESA-N 2 0 291.439 1.508 10 0 CDAERP [NH3+]CCCCCC[N@@H+]1CCOc2ccccc2[C@@H]1CO ZINC000923554973 618343113 /nfs/dbraw/zinc/34/31/13/618343113.db2.gz UBDWWWUXBXGADR-HNNXBMFYSA-N 2 0 278.396 1.934 10 0 CDAERP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)S2)CN1CC[NH+](C)CC1 ZINC000924950360 618372926 /nfs/dbraw/zinc/37/29/26/618372926.db2.gz OKSFMZPBNNCDEX-WZYMTQMTSA-N 2 0 297.512 1.886 10 0 CDAERP COc1ccccc1[C@H](O)C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000817891595 618484638 /nfs/dbraw/zinc/48/46/38/618484638.db2.gz FFSKXSUZTPYCLR-VHDGCEQUSA-N 2 0 278.396 1.706 10 0 CDAERP COC[C@@H](C)C[NH+]1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000895550858 619723716 /nfs/dbraw/zinc/72/37/16/619723716.db2.gz LFQPYHVARHWXSZ-AWEZNQCLSA-N 2 0 297.443 1.075 10 0 CDAERP COC[C@@H](CCO)[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000902814826 625468227 /nfs/dbraw/zinc/46/82/27/625468227.db2.gz QVCRYYBPBOGOCN-DZGCQCFKSA-N 2 0 289.379 1.920 10 0 CDAERP CC[C@@H](C[C@](C)(O)CC)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000924628821 621599243 /nfs/dbraw/zinc/59/92/43/621599243.db2.gz LTYVLXUJHXGHIP-DOTOQJQBSA-N 2 0 299.503 1.932 10 0 CDAERP CCO[C@H](CNC1CC[NH+](CC)CC1)C[NH+](C)C ZINC000926966010 621636175 /nfs/dbraw/zinc/63/61/75/621636175.db2.gz UYBXZQDBJPKQHL-CQSZACIVSA-N 2 0 257.422 1.027 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(-n2cncn2)nc1 ZINC000924679240 621653348 /nfs/dbraw/zinc/65/33/48/621653348.db2.gz JCWSTXQSIJADHR-MZBDJJRSSA-N 2 0 298.394 1.092 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CC([NH+]2CCCC2)C1 ZINC000898602845 621814563 /nfs/dbraw/zinc/81/45/63/621814563.db2.gz FNDSPKGRMLJZAR-AWEZNQCLSA-N 2 0 279.428 1.558 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]([NH+](C)C)C23CCC3)CC[N@@H+]1C ZINC000898830487 621890765 /nfs/dbraw/zinc/89/07/65/621890765.db2.gz FOAUEJBHVRAMCS-XQLPTFJDSA-N 2 0 293.455 1.706 10 0 CDAERP C[C@H](NC(=[NH2+])NCCCC[N@H+](C)C1CC1)C1CC1 ZINC000899272171 622137676 /nfs/dbraw/zinc/13/76/76/622137676.db2.gz AWLWTSJQJHHHTR-NSHDSACASA-N 2 0 252.406 1.773 10 0 CDAERP C[C@@H](NC(=[NH2+])NCC[C@H]1CCC[N@H+](C)C1)C1CC1 ZINC000899272886 622138523 /nfs/dbraw/zinc/13/85/23/622138523.db2.gz QQSJXPWRJJSLIO-VXGBXAGGSA-N 2 0 252.406 1.631 10 0 CDAERP CC(C)[NH+](CCNC(=O)C[C@@]1(O)CCC[N@H+](C)C1)C(C)C ZINC000900012788 622618361 /nfs/dbraw/zinc/61/83/61/622618361.db2.gz LKDLWBXZWMWVCO-INIZCTEOSA-N 2 0 299.459 1.068 10 0 CDAERP COCCN(CC[NH+](C)C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000900586574 623261008 /nfs/dbraw/zinc/26/10/08/623261008.db2.gz FFAUJHPGLYNKHL-LSDHHAIUSA-N 2 0 297.443 1.040 10 0 CDAERP CN(C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000900666806 623347703 /nfs/dbraw/zinc/34/77/03/623347703.db2.gz WZNNZFHBZDPJKD-XHSDSOJGSA-N 2 0 291.439 1.698 10 0 CDAERP C[C@H]1[C@@H](NC(=O)Nc2cccc(C[NH+](C)C)c2)CC[N@@H+]1C ZINC000902929001 625649320 /nfs/dbraw/zinc/64/93/20/625649320.db2.gz OXSVPHRTOHSHNU-WFASDCNBSA-N 2 0 290.411 1.962 10 0 CDAERP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC000901136666 623895922 /nfs/dbraw/zinc/89/59/22/623895922.db2.gz ZNPVUZZRSSVSAZ-KBPBESRZSA-N 2 0 277.412 1.025 10 0 CDAERP c1nn(-c2ccccc2)nc1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000841073311 624952903 /nfs/dbraw/zinc/95/29/03/624952903.db2.gz RFKKYPFGUXUAMB-CQSZACIVSA-N 2 0 285.395 1.889 10 0 CDAERP C([NH2+][C@H]1CCO[C@@]12CCOC2)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000903064254 625812762 /nfs/dbraw/zinc/81/27/62/625812762.db2.gz ALAYOYBAMJEJPZ-VHDGCEQUSA-N 2 0 266.385 1.008 10 0 CDAERP C1C[C@@H]2C[C@H]([NH2+][C@@H]3CCO[C@]34CCOC4)CC[N@@H+]2C1 ZINC000903073633 625837523 /nfs/dbraw/zinc/83/75/23/625837523.db2.gz PJCPNALYZFOELH-TUVASFSCSA-N 2 0 266.385 1.151 10 0 CDAERP C[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903426832 625989248 /nfs/dbraw/zinc/98/92/48/625989248.db2.gz PGSVESGNBQAEFV-NEPJUHHUSA-N 2 0 286.379 1.895 10 0 CDAERP CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903461232 625996038 /nfs/dbraw/zinc/99/60/38/625996038.db2.gz QBZYIAFKAWLZKQ-JFGNBEQYSA-N 2 0 293.333 1.114 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000903442720 625997530 /nfs/dbraw/zinc/99/75/30/625997530.db2.gz ZSZGFLYZODOXAC-RDBSUJKOSA-N 2 0 262.401 1.455 10 0 CDAERP COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903456038 626002458 /nfs/dbraw/zinc/00/24/58/626002458.db2.gz CVKZKKDVVCLWKE-DGTMBMJNSA-N 2 0 266.385 1.387 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cnccc1C)C2 ZINC000903495136 626011580 /nfs/dbraw/zinc/01/15/80/626011580.db2.gz WSCDWRFYWJBWRM-LZWOXQAQSA-N 2 0 289.379 1.102 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)C[C@H]1CC[NH3+] ZINC000903495080 626011646 /nfs/dbraw/zinc/01/16/46/626011646.db2.gz UDMLRVUELHHPEX-IBEHDNSVSA-N 2 0 295.471 1.844 10 0 CDAERP Cc1ccsc1CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903497281 626012034 /nfs/dbraw/zinc/01/20/34/626012034.db2.gz TUZSQMHWECMJMY-CHWSQXEVSA-N 2 0 295.452 1.589 10 0 CDAERP C[C@@H](C(=O)NCC1CCCCC1)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496405 626012129 /nfs/dbraw/zinc/01/21/29/626012129.db2.gz MNVYQGSDIQVDNR-IJEWVQPXSA-N 2 0 295.471 1.988 10 0 CDAERP Cc1cc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)on1 ZINC000903496394 626012212 /nfs/dbraw/zinc/01/22/12/626012212.db2.gz MJXCNZLYHWVAMW-ADEWGFFLSA-N 2 0 280.372 1.227 10 0 CDAERP C[C@H](C1CC1)[N@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903884129 626132565 /nfs/dbraw/zinc/13/25/65/626132565.db2.gz SIZDQFRFTYIJFN-DGCLKSJQSA-N 2 0 263.389 1.433 10 0 CDAERP C[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCN(C2CC2)C1 ZINC000903892937 626134549 /nfs/dbraw/zinc/13/45/49/626134549.db2.gz YQSMAJGJBWRCHL-NQKGRLOXSA-N 2 0 263.429 1.686 10 0 CDAERP CSC[C@H]1CCC[N@@H+]1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903897281 626136688 /nfs/dbraw/zinc/13/66/88/626136688.db2.gz GSMWYTDWVKAFNL-CHWSQXEVSA-N 2 0 295.456 1.530 10 0 CDAERP C[N@H+](C[C@@H]1CCC[C@H]1O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903898091 626137049 /nfs/dbraw/zinc/13/70/49/626137049.db2.gz ITFQHFIVGNWSSS-SCXOTVEISA-N 2 0 252.402 1.610 10 0 CDAERP Cc1ccsc1C[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903927587 626149269 /nfs/dbraw/zinc/14/92/69/626149269.db2.gz ZWGWRSIRUJSDHC-LBPRGKRZSA-N 2 0 291.424 1.862 10 0 CDAERP C[C@H]1CN(C[C@@]2(C)CC[NH2+]C2)CCN1c1cc[nH+]cc1 ZINC000903937075 626155182 /nfs/dbraw/zinc/15/51/82/626155182.db2.gz AXLGDAJIBRUHEK-HOCLYGCPSA-N 2 0 274.412 1.592 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)CC[NH2+]1 ZINC000903937251 626155397 /nfs/dbraw/zinc/15/53/97/626155397.db2.gz GFQIBTKHAXXECB-OWCLPIDISA-N 3 0 288.439 1.980 10 0 CDAERP [NH3+][C@H](C[NH2+][C@@H]1CCCCC12CC[NH2+]CC2)CC(F)F ZINC000903937985 626155577 /nfs/dbraw/zinc/15/55/77/626155577.db2.gz WSFSBTNKPFQJMY-NWDGAFQWSA-N 3 0 275.387 1.871 10 0 CDAERP [NH3+]Cc1nc2c(s1)CCN([C@@H]1CCC[NH2+]CC1)C2 ZINC000903943958 626162332 /nfs/dbraw/zinc/16/23/32/626162332.db2.gz DNCVUFJSKVJXGI-SNVBAGLBSA-N 2 0 266.414 1.102 10 0 CDAERP C[C@H](C[C@H]1CCC[NH2+]1)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000903955734 626166810 /nfs/dbraw/zinc/16/68/10/626166810.db2.gz AVJPMNXBMNZQLE-GRYCIOLGSA-N 2 0 261.360 1.351 10 0 CDAERP C[C@]1(C[N@@H+]2CCC[C@H]([C@@]3(C)COC(=O)N3)C2)CC[NH2+]C1 ZINC000903986754 626174260 /nfs/dbraw/zinc/17/42/60/626174260.db2.gz RFKGGWBHFOCLKO-AEGPPILISA-N 2 0 281.400 1.197 10 0 CDAERP C[C@]1(C[N@@H+]2CCC[C@@H]([C@@]3(C)COC(=O)N3)C2)CC[NH2+]C1 ZINC000903986757 626174334 /nfs/dbraw/zinc/17/43/34/626174334.db2.gz RFKGGWBHFOCLKO-VHDGCEQUSA-N 2 0 281.400 1.197 10 0 CDAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NC[C@]12C[C@H]1C[NH2+]C2 ZINC000904472654 626304618 /nfs/dbraw/zinc/30/46/18/626304618.db2.gz NTMUQHSENUVORT-OXXUSNJHSA-N 2 0 299.418 1.441 10 0 CDAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NC[C@@]12C[C@@H]1C[NH2+]C2 ZINC000904472653 626304653 /nfs/dbraw/zinc/30/46/53/626304653.db2.gz NTMUQHSENUVORT-HUHSQHJXSA-N 2 0 299.418 1.441 10 0 CDAERP [NH2+]=C(NCCC[NH+]1CCCCC1)NC[C@@H]1CCCS1 ZINC000905041386 626381041 /nfs/dbraw/zinc/38/10/41/626381041.db2.gz IDMHTMKBKZDIDN-ZDUSSCGKSA-N 2 0 284.473 1.872 10 0 CDAERP CC(C)[C@@H]([NH3+])C(C)(C)c1nc(C2([NH3+])CCC2)no1 ZINC000905305282 626756399 /nfs/dbraw/zinc/75/63/99/626756399.db2.gz RGXLCXKOSZIQIO-SECBINFHSA-N 2 0 252.362 1.668 10 0 CDAERP C[NH2+]CCCCc1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000905307871 626757696 /nfs/dbraw/zinc/75/76/96/626757696.db2.gz SZMVVTFOQZVQNR-UHFFFAOYSA-N 2 0 260.341 1.737 10 0 CDAERP CC[N@@H+]1CC[C@@H]1CNC(=S)NCC(C)(C)C[NH+](C)C ZINC000905547338 626850559 /nfs/dbraw/zinc/85/05/59/626850559.db2.gz BCLGKYPXYOBOMM-GFCCVEGCSA-N 2 0 286.489 1.133 10 0 CDAERP C[NH+](C)CCCC(C)(C)NC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000909022317 628484029 /nfs/dbraw/zinc/48/40/29/628484029.db2.gz LQUXNEREZABBDB-INIZCTEOSA-N 2 0 299.459 1.070 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCn3cncc32)C1 ZINC000912585519 630079765 /nfs/dbraw/zinc/07/97/65/630079765.db2.gz XRWMRONGSOYWFY-CHWSQXEVSA-N 2 0 276.384 1.566 10 0 CDAERP CC(C)[C@H](C(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1)[NH+](C)C ZINC000913281723 630432692 /nfs/dbraw/zinc/43/26/92/630432692.db2.gz BYABBJGDKYOHON-KBMXLJTQSA-N 2 0 281.444 1.373 10 0 CDAERP Cc1nccn1CCCC(=O)N1CCC(C)([NH+](C)C)CC1 ZINC000913399069 630467042 /nfs/dbraw/zinc/46/70/42/630467042.db2.gz UXYGWXKOANQKKF-UHFFFAOYSA-N 2 0 292.427 1.914 10 0 CDAERP C[NH+](C)C1(C)CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000913393317 630469300 /nfs/dbraw/zinc/46/93/00/630469300.db2.gz VTITUGFFKUPMGF-UHFFFAOYSA-N 2 0 293.455 1.804 10 0 CDAERP C[C@H]1[C@H](NC(=O)NC2CC[NH+](C3CC3)CC2)CC[N@@H+]1C ZINC000913981282 630933228 /nfs/dbraw/zinc/93/32/28/630933228.db2.gz JQSLDYCLGMWEME-SMDDNHRTSA-N 2 0 280.416 1.005 10 0 CDAERP Cc1ccc(NCCNC(=O)N[C@H]2CCC[N@@H+](C)C2)nc1 ZINC000914315115 631335219 /nfs/dbraw/zinc/33/52/19/631335219.db2.gz LAKJVKBYGQNGQM-ZDUSSCGKSA-N 2 0 291.399 1.195 10 0 CDAERP C[C@H](C1CC1)[NH+]1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000930071379 632573680 /nfs/dbraw/zinc/57/36/80/632573680.db2.gz GQLDXQJVTCUICH-BXUZGUMPSA-N 2 0 265.401 1.199 10 0 CDAERP C[N@H+](CCCn1ccnc1)CCO[C@@H]1CCOC1 ZINC000930125747 632755650 /nfs/dbraw/zinc/75/56/50/632755650.db2.gz PYIDMNPHKNWODK-CYBMUJFWSA-N 2 0 253.346 1.011 10 0 CDAERP CC1(C)[C@H]([NH2+]C[C@H]2CCCCO2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925480900 632805888 /nfs/dbraw/zinc/80/58/88/632805888.db2.gz LQARMKOWSACBCL-YIYPIFLZSA-N 2 0 252.402 1.922 10 0 CDAERP C[C@@H]1[C@H](NC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC[N@@H+]1C ZINC000921330750 632930984 /nfs/dbraw/zinc/93/09/84/632930984.db2.gz PFMAYSLSCMUTSM-AAVRWANBSA-N 2 0 282.432 1.251 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cc[nH]c(=O)c1 ZINC000921827751 633324998 /nfs/dbraw/zinc/32/49/98/633324998.db2.gz PWXWCMKIUDNXQV-CYBMUJFWSA-N 2 0 267.373 1.234 10 0 CDAERP CC[C@H](C[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)OC ZINC001480866207 1158469383 /nfs/dbraw/zinc/46/93/83/1158469383.db2.gz WDYWNJMUSOXSHZ-QLFBSQMISA-N 2 0 299.459 1.190 10 0 CDAERP CCCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001690756688 1158768593 /nfs/dbraw/zinc/76/85/93/1158768593.db2.gz XBOOOLXWTMCCFC-GJZGRUSLSA-N 2 0 281.444 1.566 10 0 CDAERP CCCC[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001649460931 1158590974 /nfs/dbraw/zinc/59/09/74/1158590974.db2.gz BTAPCRQSTBPBJL-STQMWFEESA-N 2 0 255.406 1.175 10 0 CDAERP CCOCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001733037699 1160466296 /nfs/dbraw/zinc/46/62/96/1160466296.db2.gz JXAGKJZDGVYKBC-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP COCC[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001410922478 1161962349 /nfs/dbraw/zinc/96/23/49/1161962349.db2.gz WORAEBUAPKXHBD-ZBFHGGJFSA-N 2 0 297.443 1.086 10 0 CDAERP CC[C@H](C(=O)N[C@@]12CCC[C@@H]1[N@@H+](C(C)C)CC2)[NH+](C)C ZINC001410922164 1161962451 /nfs/dbraw/zinc/96/24/51/1161962451.db2.gz VTSKTKHNMZQZEQ-IJEWVQPXSA-N 2 0 281.444 1.848 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](CNC(=[NH2+])N[C@@H]2C[C@H]2C)C1 ZINC000864455664 1164545525 /nfs/dbraw/zinc/54/55/25/1164545525.db2.gz ACBPNRCPXKEMHN-JHJVBQTASA-N 2 0 252.406 1.629 10 0 CDAERP NC(=O)c1ccc(CC[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000866660382 1164802595 /nfs/dbraw/zinc/80/25/95/1164802595.db2.gz HCYLBGQNLUJTMB-XHSDSOJGSA-N 2 0 287.407 1.387 10 0 CDAERP NC(=O)c1ccc(CC[N@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000866661627 1164802816 /nfs/dbraw/zinc/80/28/16/1164802816.db2.gz KBGQGHXESAOERN-UHFFFAOYSA-N 2 0 287.407 1.544 10 0 CDAERP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866707873 1164814042 /nfs/dbraw/zinc/81/40/42/1164814042.db2.gz PEQDKONUXJRRKG-RISCZKNCSA-N 2 0 255.406 1.160 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)C1 ZINC000870853205 1165223020 /nfs/dbraw/zinc/22/30/20/1165223020.db2.gz VMXGLTSRKCFCQF-JHZZJYKESA-N 2 0 277.412 1.104 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CCC([NH+](C)C)CC1 ZINC001616316044 1165565467 /nfs/dbraw/zinc/56/54/67/1165565467.db2.gz NAYIWVWYVDZUQC-GFCCVEGCSA-N 2 0 255.406 1.127 10 0 CDAERP COCCC[N@H+](C)CCNC(=O)[C@H]1CCC[NH+](C(C)C)C1 ZINC001630301161 1166198251 /nfs/dbraw/zinc/19/82/51/1166198251.db2.gz ATENIPXNIFIHCA-HNNXBMFYSA-N 2 0 299.459 1.191 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC001645852540 1167536997 /nfs/dbraw/zinc/53/69/97/1167536997.db2.gz WZIAENTXCDWLEY-CHWSQXEVSA-N 2 0 291.370 1.927 10 0 CDAERP C[C@H](C(=O)N[C@@H]1CC[C@H]2C[NH+](C)C[C@@H]21)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001647008265 1168344076 /nfs/dbraw/zinc/34/40/76/1168344076.db2.gz GRALQGKKBSORAX-YUDUXTHKSA-N 2 0 293.455 1.704 10 0 CDAERP CC[NH2+]C[C@H](C)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001568304766 1169235534 /nfs/dbraw/zinc/23/55/34/1169235534.db2.gz RQVGQPHONGGWBK-KBPBESRZSA-N 2 0 269.433 1.707 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CC[C@@H](C)C[C@H]1n1cncn1 ZINC001650036837 1169635251 /nfs/dbraw/zinc/63/52/51/1169635251.db2.gz KZNYTLPROFPVPK-OXGONZEZSA-N 2 0 291.443 1.843 10 0 CDAERP CC[C@H](F)C[N@H+]1CC=C(CNC(=O)CCC[NH+](C)C)CC1 ZINC001571693743 1170524866 /nfs/dbraw/zinc/52/48/66/1170524866.db2.gz KENSENDPECCGDD-HNNXBMFYSA-N 2 0 299.434 1.825 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001661378308 1172378629 /nfs/dbraw/zinc/37/86/29/1172378629.db2.gz GRDZCEOEXZJTMX-GJZGRUSLSA-N 2 0 281.444 1.851 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]1CCC[N@H+](CCCOC)C1)[NH+](C)C ZINC001661724865 1172434933 /nfs/dbraw/zinc/43/49/33/1172434933.db2.gz YVZADMDJOJUFRW-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP CCCCCC[N@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001663185111 1172651890 /nfs/dbraw/zinc/65/18/90/1172651890.db2.gz KQEQJTONCAHFJC-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP Cc1oncc1C[NH2+]CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001663981327 1172797927 /nfs/dbraw/zinc/79/79/27/1172797927.db2.gz CUNGTRLZLPHFAS-UHFFFAOYSA-N 2 0 294.399 1.015 10 0 CDAERP CC[C@@H](C[NH2+]CCN(C)C(=O)C12CCC[NH+]1CCC2)OC ZINC001664043929 1172805383 /nfs/dbraw/zinc/80/53/83/1172805383.db2.gz GZMXOFSVIVAELL-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)=CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001674926411 1174037914 /nfs/dbraw/zinc/03/79/14/1174037914.db2.gz ZOBIWMBWGJFTLM-GDBMZVCRSA-N 2 0 293.455 1.731 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C ZINC001689340632 1175149200 /nfs/dbraw/zinc/14/92/00/1175149200.db2.gz ZFOUXKPSGGZVEO-OLZOCXBDSA-N 2 0 255.406 1.316 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001690246302 1175410672 /nfs/dbraw/zinc/41/06/72/1175410672.db2.gz DVYUMMXXJYAFJN-IHRRRGAJSA-N 2 0 269.433 1.563 10 0 CDAERP CC[C@H](C)C[NH2+][C@@H](C)CCNC(=O)C[NH+]1CCCC1 ZINC001690879440 1175599526 /nfs/dbraw/zinc/59/95/26/1175599526.db2.gz IIKZXCKEIPIJEP-KBPBESRZSA-N 2 0 269.433 1.613 10 0 CDAERP CC[C@H](C(=O)NC[C@H](CC)[NH2+]CC1CC1)[NH+](C)C ZINC001698606538 1175869847 /nfs/dbraw/zinc/86/98/47/1175869847.db2.gz ZYINHOURWMKYJM-QWHCGFSZSA-N 2 0 255.406 1.221 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]CCC(C)(C)C ZINC001698771741 1175926818 /nfs/dbraw/zinc/92/68/18/1175926818.db2.gz FSNMJYHOFIMZAX-KGLIPLIRSA-N 2 0 283.460 1.716 10 0 CDAERP C[C@H](F)CC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001699262838 1176185920 /nfs/dbraw/zinc/18/59/20/1176185920.db2.gz VNUXKOIJZCHIRJ-TXTSOVJRSA-N 2 0 285.407 1.337 10 0 CDAERP CCC[NH2+]C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001699409995 1176376438 /nfs/dbraw/zinc/37/64/38/1176376438.db2.gz IETVHKCDHQZNBN-LBPRGKRZSA-N 2 0 253.390 1.119 10 0 CDAERP CN(CCC[NH2+]C/C=C/Cl)C(=O)C1CC[NH+](C)CC1 ZINC001699532680 1176466160 /nfs/dbraw/zinc/46/61/60/1176466160.db2.gz ZVIGBCLKMIDCJV-XVNBXDOJSA-N 2 0 287.835 1.519 10 0 CDAERP C[NH+](C)CCCC(=O)N1CC[C@@H](CC[NH2+]CC2CCC2)C1 ZINC001700077565 1176739885 /nfs/dbraw/zinc/73/98/85/1176739885.db2.gz CWVZEYIZYRVLEY-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)[NH2+]CC[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001700086680 1176743092 /nfs/dbraw/zinc/74/30/92/1176743092.db2.gz JDPMGRYDSFSGAA-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CC[N@H+](C)CCCNC(=O)CCC[NH+]1CCCCC1 ZINC001707424448 1178039660 /nfs/dbraw/zinc/03/96/60/1178039660.db2.gz OWONBZLLUKSWGG-UHFFFAOYSA-N 2 0 269.433 1.711 10 0 CDAERP CCC[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001713043380 1178327883 /nfs/dbraw/zinc/32/78/83/1178327883.db2.gz DVEIYQVEQDTJHU-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001713049605 1178330513 /nfs/dbraw/zinc/33/05/13/1178330513.db2.gz OYUBJQLQFNLBHB-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001713143056 1178391299 /nfs/dbraw/zinc/39/12/99/1178391299.db2.gz QEGSETPTHREXSK-OKILXGFUSA-N 2 0 267.417 1.269 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]cn2)C1 ZINC001713169072 1178409476 /nfs/dbraw/zinc/40/94/76/1178409476.db2.gz GVEASKSTUHNRFX-SRVKXCTJSA-N 2 0 264.373 1.235 10 0 CDAERP COCC[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001713375377 1178528033 /nfs/dbraw/zinc/52/80/33/1178528033.db2.gz PMOYUVGDPLHNSH-UONOGXRCSA-N 2 0 297.443 1.134 10 0 CDAERP CCc1cccc(C[NH2+]CCN(C)C(=O)CC[NH+](C)C)c1 ZINC001713630218 1178689227 /nfs/dbraw/zinc/68/92/27/1178689227.db2.gz HZLOGJGVGIIKAZ-UHFFFAOYSA-N 2 0 291.439 1.749 10 0 CDAERP Cc1cncc(C[NH2+]CCN(C)C(=O)C[NH+]2CCCC2)c1 ZINC001713664333 1178701847 /nfs/dbraw/zinc/70/18/47/1178701847.db2.gz OPFYJFAKDXNBCI-UHFFFAOYSA-N 2 0 290.411 1.034 10 0 CDAERP O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@H]([NH2+]CCCF)C1 ZINC001713968979 1178900549 /nfs/dbraw/zinc/90/05/49/1178900549.db2.gz SWUMCFLHLSLNSH-HDJSIYSDSA-N 2 0 285.407 1.459 10 0 CDAERP CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001714201509 1179013052 /nfs/dbraw/zinc/01/30/52/1179013052.db2.gz RNVKSOLKIYXMOK-KBPBESRZSA-N 2 0 267.417 1.319 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001714353789 1179101922 /nfs/dbraw/zinc/10/19/22/1179101922.db2.gz RRAMNSWLEGUTIA-ZIAGYGMSSA-N 2 0 267.417 1.319 10 0 CDAERP CN(CC[NH2+]Cc1ccncc1Cl)C(=O)CC[NH+](C)C ZINC001714752101 1179376837 /nfs/dbraw/zinc/37/68/37/1179376837.db2.gz LUVXQJDQRDNFOU-UHFFFAOYSA-N 2 0 298.818 1.235 10 0 CDAERP C[C@@H](C[NH2+]CCC1CC1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001714821375 1179411210 /nfs/dbraw/zinc/41/12/10/1179411210.db2.gz HVVWJIOVYDCHBL-DZGCQCFKSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001714877918 1179434248 /nfs/dbraw/zinc/43/42/48/1179434248.db2.gz RWUMDWAVDLLENP-CYBMUJFWSA-N 2 0 255.406 1.175 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001715023523 1179513512 /nfs/dbraw/zinc/51/35/12/1179513512.db2.gz NTBNYNKYXSJRLX-ZDUSSCGKSA-N 2 0 255.406 1.127 10 0 CDAERP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]C/C=C\Cl ZINC001715075112 1179540553 /nfs/dbraw/zinc/54/05/53/1179540553.db2.gz WFGTYTVWZNFIOG-XOIDGJRKSA-N 2 0 261.797 1.175 10 0 CDAERP CCCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001715325989 1179624226 /nfs/dbraw/zinc/62/42/26/1179624226.db2.gz DLENDDZAOCZMQA-ZFWWWQNUSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C[NH2+]CCF ZINC001715399181 1179657503 /nfs/dbraw/zinc/65/75/03/1179657503.db2.gz IBNHWCDUXUDWHE-HIFRSBDPSA-N 2 0 299.434 1.514 10 0 CDAERP CCN(CC[NH2+]CC(C)C)C(=O)CC[NH+]1CCCCC1 ZINC001715775124 1179800362 /nfs/dbraw/zinc/80/03/62/1179800362.db2.gz HPATWRFIUIWYPH-UHFFFAOYSA-N 2 0 283.460 1.957 10 0 CDAERP CCCC[NH2+]C/C=C/CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001715866617 1179882414 /nfs/dbraw/zinc/88/24/14/1179882414.db2.gz BNTFXFVPWCHSTB-VBROQKIQSA-N 2 0 267.417 1.390 10 0 CDAERP C[C@H](C[NH2+]C/C=C/Cl)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001715935067 1179927193 /nfs/dbraw/zinc/92/71/93/1179927193.db2.gz FOTMINSYKVMVSY-WXJAXGNASA-N 2 0 299.846 1.709 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CC=C(C)C)[NH+](C)C ZINC001715994215 1179970399 /nfs/dbraw/zinc/97/03/99/1179970399.db2.gz ASBBYWOPNHPIED-STQMWFEESA-N 2 0 255.406 1.387 10 0 CDAERP CC/C=C\CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001716013309 1179986776 /nfs/dbraw/zinc/98/67/76/1179986776.db2.gz FLOMRPGHDIDHMO-NHQLZKDQSA-N 2 0 281.444 1.873 10 0 CDAERP O=C(C[NH+]1CCCC1)NC/C=C/C[NH2+]CCC1CCCC1 ZINC001716375711 1180172537 /nfs/dbraw/zinc/17/25/37/1180172537.db2.gz JKZGHIDDPLUUIV-ONEGZZNKSA-N 2 0 293.455 1.925 10 0 CDAERP CCOCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001716455474 1180219726 /nfs/dbraw/zinc/21/97/26/1180219726.db2.gz YAHPWHUMTZHXOZ-GJZGRUSLSA-N 2 0 299.459 1.380 10 0 CDAERP CC/C=C/CC[NH2+]C[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001716460467 1180222934 /nfs/dbraw/zinc/22/29/34/1180222934.db2.gz IAGHHEQXOBGTLS-ICWYTKJFSA-N 2 0 281.444 1.779 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCOC ZINC001716778984 1180411481 /nfs/dbraw/zinc/41/14/81/1180411481.db2.gz LPFCDKVLCOFXSV-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001717084074 1180526864 /nfs/dbraw/zinc/52/68/64/1180526864.db2.gz HLOIHCTVKHEBRY-DZGCQCFKSA-N 2 0 279.428 1.176 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CCCF)[C@@H](C)C1 ZINC001717291400 1180606906 /nfs/dbraw/zinc/60/69/06/1180606906.db2.gz WYQHHJVQHZWPLI-STQMWFEESA-N 2 0 273.396 1.124 10 0 CDAERP CCCC[NH2+][C@H](C)[C@H](C)NC(=O)CCc1c[nH]cn1 ZINC001717413507 1180659931 /nfs/dbraw/zinc/65/99/31/1180659931.db2.gz TVYPFUPZXCNWKR-NEPJUHHUSA-N 2 0 266.389 1.625 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001717653275 1180776350 /nfs/dbraw/zinc/77/63/50/1180776350.db2.gz VGLLUCSEUCNNOX-KKUMJFAQSA-N 2 0 281.444 1.469 10 0 CDAERP C[C@H]1[C@H]([NH2+]CCCF)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001717794130 1180857352 /nfs/dbraw/zinc/85/73/52/1180857352.db2.gz SBJFDAYFAKCMAD-GXTWGEPZSA-N 2 0 285.407 1.409 10 0 CDAERP CC(C)=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001717829703 1180884313 /nfs/dbraw/zinc/88/43/13/1180884313.db2.gz IYQFFFDVAQNMMP-HUUCEWRRSA-N 2 0 279.428 1.627 10 0 CDAERP CN(CCC[NH2+]CCF)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001723039908 1181513092 /nfs/dbraw/zinc/51/30/92/1181513092.db2.gz PRRHBZRNBZGVPD-HNNXBMFYSA-N 2 0 299.434 1.801 10 0 CDAERP CN(CCC[NH2+]Cc1ccsc1)C(=O)C[NH+]1CCCC1 ZINC001723194184 1181525859 /nfs/dbraw/zinc/52/58/59/1181525859.db2.gz JBZUDTKMPODGHZ-UHFFFAOYSA-N 2 0 295.452 1.782 10 0 CDAERP Cc1ncc(C[NH2+]CCCN(C)C(=O)C[N@@H+](C)C(C)C)o1 ZINC001723202321 1181525951 /nfs/dbraw/zinc/52/59/51/1181525951.db2.gz BMTCTFUYSOZXFP-UHFFFAOYSA-N 2 0 296.415 1.261 10 0 CDAERP CCOCC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)[C@H](C)C1 ZINC001723878909 1181614336 /nfs/dbraw/zinc/61/43/36/1181614336.db2.gz YKQFHORRHYUUJR-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP CC[C@H](C(=O)N(C)C1CCC([NH2+]CCOC)CC1)[NH+](C)C ZINC001725130803 1181877775 /nfs/dbraw/zinc/87/77/75/1181877775.db2.gz MDUNXOWEPCXEAL-YMAMQOFZSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001725651732 1182088679 /nfs/dbraw/zinc/08/86/79/1182088679.db2.gz GGOVIXGAVNFKIJ-LSDHHAIUSA-N 2 0 283.460 1.859 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]CCCO ZINC001731292645 1182298835 /nfs/dbraw/zinc/29/88/35/1182298835.db2.gz JWVYNDXINMMDCC-HUUCEWRRSA-N 2 0 299.459 1.070 10 0 CDAERP CC(C)[NH2+][C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001731407047 1182369246 /nfs/dbraw/zinc/36/92/46/1182369246.db2.gz VJPJJSRXJRCIJY-OCCSQVGLSA-N 2 0 267.417 1.221 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001731478340 1182411071 /nfs/dbraw/zinc/41/10/71/1182411071.db2.gz YZBJIGZJBZKKBZ-ZNMIVQPWSA-N 2 0 279.428 1.365 10 0 CDAERP CC[NH2+]C[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001731683843 1182517199 /nfs/dbraw/zinc/51/71/99/1182517199.db2.gz CUQQWXPYXHFXIU-HNNXBMFYSA-N 2 0 281.444 1.711 10 0 CDAERP COCC[N@H+](C)[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001731720604 1182530674 /nfs/dbraw/zinc/53/06/74/1182530674.db2.gz NPCZVVLDUNPOLD-OAHLLOKOSA-N 2 0 299.459 1.288 10 0 CDAERP CC[C@@H](C)C[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001731987410 1182716114 /nfs/dbraw/zinc/71/61/14/1182716114.db2.gz FKLAQASMERSAPF-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+]CC1=CCCCC1 ZINC001732358659 1182924934 /nfs/dbraw/zinc/92/49/34/1182924934.db2.gz ULKAPIDETOTUNP-CQSZACIVSA-N 2 0 281.444 1.780 10 0 CDAERP CCC[NH2+]C[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001732357870 1182925342 /nfs/dbraw/zinc/92/53/42/1182925342.db2.gz DPGHJMZOSSNYOG-GFCCVEGCSA-N 2 0 255.406 1.080 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CCF ZINC001732620451 1183051141 /nfs/dbraw/zinc/05/11/41/1183051141.db2.gz OWYBJQZOFFRDGF-CHWSQXEVSA-N 2 0 273.396 1.172 10 0 CDAERP CN(CCC[NH2+]CCCF)C(=O)CC1CC[NH+](C)CC1 ZINC001733131906 1183302346 /nfs/dbraw/zinc/30/23/46/1183302346.db2.gz ZOJMEENAKXANJB-UHFFFAOYSA-N 2 0 287.423 1.516 10 0 CDAERP CC(C)CCC[NH2+][C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001734352254 1183744281 /nfs/dbraw/zinc/74/42/81/1183744281.db2.gz ZUBXDJCFJAEUHX-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]C(C)C ZINC001734358364 1183746258 /nfs/dbraw/zinc/74/62/58/1183746258.db2.gz SWLIUHYZBFMFAQ-KBPBESRZSA-N 2 0 269.433 1.706 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001734432262 1183777705 /nfs/dbraw/zinc/77/77/05/1183777705.db2.gz LWPPTRWRPSFOTA-KGLIPLIRSA-N 2 0 267.417 1.461 10 0 CDAERP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C[NH3+])cc1 ZINC001771754024 1186860473 /nfs/dbraw/zinc/86/04/73/1186860473.db2.gz CIRVSNNHRZDJCT-HUUCEWRRSA-N 2 0 275.396 1.748 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](C[NH2+]C2CCC(C)(O)CC2)C1 ZINC000703017863 754433445 /nfs/dbraw/zinc/43/34/45/754433445.db2.gz MNZVLOOCFDPSOD-WLYUNCDWSA-N 2 0 254.418 2.000 10 0 CDAERP C[C@H](C[NH+]1CCC(C)CC1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000925704248 754528710 /nfs/dbraw/zinc/52/87/10/754528710.db2.gz DFTNPOJGLJBBOX-HUUCEWRRSA-N 2 0 265.445 1.981 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000711262160 754662239 /nfs/dbraw/zinc/66/22/39/754662239.db2.gz RQEMTVFMXVBHDF-HIFRSBDPSA-N 2 0 267.417 1.319 10 0 CDAERP CS(=O)(=O)CCCC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000706550509 755082571 /nfs/dbraw/zinc/08/25/71/755082571.db2.gz SZYTXMGLFCZARQ-CQSZACIVSA-N 2 0 288.457 1.275 10 0 CDAERP C[C@H]1C[C@H](N(C)C(=O)[C@H]2CC[C@H]([NH3+])CC2)CC[N@@H+]1C ZINC000870892722 755055668 /nfs/dbraw/zinc/05/56/68/755055668.db2.gz KCNAMUJXMNEMBR-XDQVBPFNSA-N 2 0 267.417 1.445 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])N2CC[C@@H](CC)C2)C1 ZINC000864456813 755316651 /nfs/dbraw/zinc/31/66/51/755316651.db2.gz MZMYXEQUVYOPGZ-ZIAGYGMSSA-N 2 0 266.433 1.975 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000870993736 1165250013 /nfs/dbraw/zinc/25/00/13/1165250013.db2.gz LLHILIUHXJLTHC-YWPYICTPSA-N 2 0 267.417 1.208 10 0 CDAERP C[C@H](C[NH2+]Cc1cn(C2CC2)cn1)CN1CC[NH+](C)CC1 ZINC000865448086 753855561 /nfs/dbraw/zinc/85/55/61/753855561.db2.gz ALBOXSRPSVSPOL-CQSZACIVSA-N 2 0 291.443 1.191 10 0 CDAERP COC(=O)c1cc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)ccc1C ZINC000872144200 753855725 /nfs/dbraw/zinc/85/57/25/753855725.db2.gz XOAPSAMILVCVAZ-JSGCOSHPSA-N 2 0 276.380 1.951 10 0 CDAERP CCOCCOCC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000923365304 753858611 /nfs/dbraw/zinc/85/86/11/753858611.db2.gz ULZJJUDLXAVADY-HUUCEWRRSA-N 2 0 270.417 1.504 10 0 CDAERP C[C@H]1CC2(CC([NH2+]CCN3CC[N@H+](C)C(C)(C)C3)C2)CO1 ZINC000926358345 753859497 /nfs/dbraw/zinc/85/94/97/753859497.db2.gz XLBKZXJJAQZVSX-UQPPLGOBSA-N 2 0 295.471 1.560 10 0 CDAERP C[C@@H]([NH3+])CN(C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000861614708 753867208 /nfs/dbraw/zinc/86/72/08/753867208.db2.gz UDVHJPGXAQLUNH-PNESKVBLSA-N 2 0 270.421 1.095 10 0 CDAERP O=C1CCC2=C(CC[N@H+](Cc3cccc4c3CC[NH2+]C4)C2)N1 ZINC000852753522 753888002 /nfs/dbraw/zinc/88/80/02/753888002.db2.gz CVIXOKKITSXWCK-UHFFFAOYSA-N 2 0 297.402 1.702 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000870891951 753948494 /nfs/dbraw/zinc/94/84/94/753948494.db2.gz NECKMFDOVYXZEA-TTZDDIAXSA-N 2 0 277.412 1.058 10 0 CDAERP CC[C@H]1CCN(C(=[NH2+])NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000864468595 754027996 /nfs/dbraw/zinc/02/79/96/754027996.db2.gz LETFEZVKXWOCFC-AWEZNQCLSA-N 2 0 295.475 1.269 10 0 CDAERP CC[C@@H]1C[C@H](C[N@H+](C)CCOCC[NH2+]C)CCO1 ZINC000863647575 754043858 /nfs/dbraw/zinc/04/38/58/754043858.db2.gz QJXQSDBURLMOLZ-ZIAGYGMSSA-N 2 0 258.406 1.359 10 0 CDAERP CCO[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)OC2(C)C)C[C@H]1C[NH3+] ZINC000709756564 754073668 /nfs/dbraw/zinc/07/36/68/754073668.db2.gz VWWLJKODDMPHSN-HZSPNIEDSA-N 2 0 284.444 1.876 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000713425458 754194050 /nfs/dbraw/zinc/19/40/50/754194050.db2.gz QBWFJPWMYSKCAQ-COMQUAJESA-N 2 0 265.401 1.057 10 0 CDAERP C[C@@H]([NH2+]C[C@H]1CC2(C[NH2+]C2)CO1)c1cccc(F)c1F ZINC000923380350 754234252 /nfs/dbraw/zinc/23/42/52/754234252.db2.gz VIOSZTVRNUAPHQ-GHMZBOCLSA-N 2 0 282.334 1.994 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000872304215 754280213 /nfs/dbraw/zinc/28/02/13/754280213.db2.gz KEUGAXUIOXCFBN-RQJABVFESA-N 2 0 267.417 1.350 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000924697524 754312198 /nfs/dbraw/zinc/31/21/98/754312198.db2.gz UAGMBGAPHOFLSL-KJAHXBPPSA-N 3 0 263.429 1.543 10 0 CDAERP CCC[C@](C)([NH3+])C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712671573 754317448 /nfs/dbraw/zinc/31/74/48/754317448.db2.gz QDCKIEJVMJKQCU-AWEZNQCLSA-N 2 0 255.406 1.447 10 0 CDAERP C[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)[NH+](C)C1CC1 ZINC000868372482 754320040 /nfs/dbraw/zinc/32/00/40/754320040.db2.gz WGAPMGHENQKZIA-VNHYZAJKSA-N 2 0 294.443 1.205 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000852873666 754334489 /nfs/dbraw/zinc/33/44/89/754334489.db2.gz BSTFVOAJVYBUJL-LSDHHAIUSA-N 2 0 277.412 1.287 10 0 CDAERP COC(=O)C1=CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000863543221 754358826 /nfs/dbraw/zinc/35/88/26/754358826.db2.gz XCRLDSZRHIGALS-BYNSBNAKSA-N 2 0 278.396 1.759 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@]2(C(F)(F)F)CCCN2)C1 ZINC000925852842 754375620 /nfs/dbraw/zinc/37/56/20/754375620.db2.gz HSMKNPXOLMGKTK-OUAUKWLOSA-N 2 0 265.323 1.530 10 0 CDAERP O[C@H](C[NH2+]CC1C[C@H]2CC[C@@H](C1)S2)C[NH+]1CCCC1 ZINC000716064761 754381886 /nfs/dbraw/zinc/38/18/86/754381886.db2.gz JXDSYJCOVDEVQU-NUDNTCICSA-N 2 0 284.469 1.707 10 0 CDAERP CCOCCOCC[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000923415459 754407296 /nfs/dbraw/zinc/40/72/96/754407296.db2.gz QCMBZWKFJQZTAP-HNNXBMFYSA-N 2 0 272.433 1.736 10 0 CDAERP CC(=O)N1CC[C@@H]([NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925722547 754480962 /nfs/dbraw/zinc/48/09/62/754480962.db2.gz WTCLFQCGDGQYSW-XQQFMLRXSA-N 2 0 253.390 1.103 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)NCc1ccccc1-n1ccnc1 ZINC000852883096 754494056 /nfs/dbraw/zinc/49/40/56/754494056.db2.gz GVZRMCICPYIUPL-UHFFFAOYSA-N 2 0 296.374 1.798 10 0 CDAERP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000925881230 754504004 /nfs/dbraw/zinc/50/40/04/754504004.db2.gz GLVFQZFDWMVZLH-NUIAMIPMSA-N 3 0 285.435 1.918 10 0 CDAERP C[C@@H](c1ccccn1)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923449912 754532869 /nfs/dbraw/zinc/53/28/69/754532869.db2.gz DOUCZOIOOMVGST-KBPBESRZSA-N 2 0 275.396 1.972 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)C1 ZINC000925880121 754544137 /nfs/dbraw/zinc/54/41/37/754544137.db2.gz OIPGFTNKHMGODB-VQJWOFKYSA-N 2 0 252.402 1.909 10 0 CDAERP O=C(CC[NH2+]CC1CC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000717197883 754547647 /nfs/dbraw/zinc/54/76/47/754547647.db2.gz YWMVSUCAAIYFRO-CQSZACIVSA-N 2 0 265.401 1.073 10 0 CDAERP [NH3+]C[C@H]1CN(CCC[NH2+]C2CC2)CC[C@H]1C(F)(F)F ZINC000923401500 754668595 /nfs/dbraw/zinc/66/85/95/754668595.db2.gz OQDGTRDCTCYTHL-CMPLNLGQSA-N 2 0 279.350 1.588 10 0 CDAERP c1cc([C@@H]2C[NH2+]CCO2)ccc1NC[C@@H]1CCC[NH2+]1 ZINC000849352928 754670998 /nfs/dbraw/zinc/67/09/98/754670998.db2.gz SOYZMVXSKKOEFN-GJZGRUSLSA-N 2 0 261.369 1.511 10 0 CDAERP CCC[C@H](CC)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925859198 754729341 /nfs/dbraw/zinc/72/93/41/754729341.db2.gz WFBCSUVGNVQNTB-STQMWFEESA-N 2 0 268.401 1.840 10 0 CDAERP C[C@H]1[C@@H](NC(=O)N2CCC(n3ccnc3)CC2)CC[N@@H+]1C ZINC000925323747 754823312 /nfs/dbraw/zinc/82/33/12/754823312.db2.gz SUHBKCFDKHAZSU-JSGCOSHPSA-N 2 0 291.399 1.322 10 0 CDAERP COCCC[NH+]1CCC(N[C@H]2C[N@@H+]3C[C@@H]2CCC3)CC1 ZINC000924913275 754829421 /nfs/dbraw/zinc/82/94/21/754829421.db2.gz VJZWBPWKCCDDRB-HOCLYGCPSA-N 2 0 281.444 1.171 10 0 CDAERP C[C@@H]1CC=CC[C@H]1[NH2+]CC(=O)NC1CC[NH+](C)CC1 ZINC000934618094 754845014 /nfs/dbraw/zinc/84/50/14/754845014.db2.gz UWJWHBFBSQADQZ-TZMCWYRMSA-N 2 0 265.401 1.141 10 0 CDAERP CC[NH+](CC)CCCNC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000868013854 754868645 /nfs/dbraw/zinc/86/86/45/754868645.db2.gz QZGICCQBUAFRSF-GJZGRUSLSA-N 2 0 296.459 1.454 10 0 CDAERP CCN(C[C@@H](O)C[N@H+](C)CC)[C@@H](C)[C@H](O)c1ccccc1 ZINC000846911265 754872076 /nfs/dbraw/zinc/87/20/76/754872076.db2.gz GGTPKZGJFDXZLG-XIRDDKMYSA-N 2 0 294.439 1.743 10 0 CDAERP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923496724 754882939 /nfs/dbraw/zinc/88/29/39/754882939.db2.gz CIFWZKCVPDJFON-ZOBORPQBSA-N 2 0 269.433 1.596 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH2+]CC2(C)C)C1 ZINC000711370306 754883106 /nfs/dbraw/zinc/88/31/06/754883106.db2.gz RDBBZAVDVDGIRO-NWDGAFQWSA-N 2 0 267.417 1.221 10 0 CDAERP C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000926337280 754895937 /nfs/dbraw/zinc/89/59/37/754895937.db2.gz NHHOZDCYCIYYMZ-HESLUPGFSA-N 2 0 279.428 1.650 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C1CC[NH+](C3CC3)CC1)C2 ZINC000872267106 754897081 /nfs/dbraw/zinc/89/70/81/754897081.db2.gz JMPMTCNQFMSWIX-CALCHBBNSA-N 2 0 291.439 1.319 10 0 CDAERP [NH3+]CCCCCCC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000841853271 754899484 /nfs/dbraw/zinc/89/94/84/754899484.db2.gz ZLCHPEHTINTATD-SNVBAGLBSA-N 2 0 263.332 1.009 10 0 CDAERP [NH3+]CC(C[NH3+])NC[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC000923356956 754927882 /nfs/dbraw/zinc/92/78/82/754927882.db2.gz RJWTWOIEPYRCED-GJZGRUSLSA-N 2 0 263.385 1.172 10 0 CDAERP C[NH+](C)CC1(O)CC[NH+](CC23CCC(CC2)C3)CC1 ZINC000931482488 754931339 /nfs/dbraw/zinc/93/13/39/754931339.db2.gz VOCRLPJODPNYBV-UHFFFAOYSA-N 2 0 266.429 1.955 10 0 CDAERP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+][C@H]1CCCc2cccnc21 ZINC000925871971 754941582 /nfs/dbraw/zinc/94/15/82/754941582.db2.gz MUBQGRQDRZOKCQ-ATGSNQNLSA-N 2 0 275.396 1.801 10 0 CDAERP CC(C)[C@H]1CN(C(=O)N[C@H]2CC[NH+](C)[C@H]2C)CC[N@@H+]1C ZINC000925358212 754945429 /nfs/dbraw/zinc/94/54/29/754945429.db2.gz ZBTMQRSAJCIQAC-MELADBBJSA-N 2 0 282.432 1.061 10 0 CDAERP C[C@@H]1C[N@H+](Cc2cccc(C(=O)N(C)C)c2)CC[C@H]1C[NH3+] ZINC000923499286 754973591 /nfs/dbraw/zinc/97/35/91/754973591.db2.gz RVCOKEWULXLQEB-CJNGLKHVSA-N 2 0 289.423 1.805 10 0 CDAERP CN(C[C@@H](O)C[NH2+]C1CCC(C)([NH+](C)C)CC1)C1CC1 ZINC000715538165 755052128 /nfs/dbraw/zinc/05/21/28/755052128.db2.gz LQWSFKQLVLSRFK-SIWZUTFBSA-N 2 0 283.460 1.294 10 0 CDAERP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]CC2(O)CCCCC2)CC1 ZINC000819173721 755084362 /nfs/dbraw/zinc/08/43/62/755084362.db2.gz MGOWMKZNIROXPF-CVEARBPZSA-N 2 0 296.455 1.649 10 0 CDAERP CCOC(=O)C1=CC[C@H]([NH2+][C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000863542251 755162896 /nfs/dbraw/zinc/16/28/96/755162896.db2.gz CAKAFIDEULYQNN-AGIUHOORSA-N 2 0 252.358 1.355 10 0 CDAERP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1CCCC2(CC2)CC1 ZINC000923410262 755174855 /nfs/dbraw/zinc/17/48/55/755174855.db2.gz WSYWGPINNIITGU-ZDUSSCGKSA-N 2 0 250.386 1.631 10 0 CDAERP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925843874 755182158 /nfs/dbraw/zinc/18/21/58/755182158.db2.gz HMGSQXZQRPFZOQ-DOTOQJQBSA-N 2 0 294.487 1.134 10 0 CDAERP C(C[NH2+][C@H]1CC[NH2+]C12CCCC2)COC[C@H]1CCOC1 ZINC000925522679 755230575 /nfs/dbraw/zinc/23/05/75/755230575.db2.gz OODPCHVXPDUSCB-CABCVRRESA-N 2 0 282.428 1.694 10 0 CDAERP CCCCOC[C@@H](O)C[N@H+](C)C1(C[NH3+])CCCCC1 ZINC000713315152 755290020 /nfs/dbraw/zinc/29/00/20/755290020.db2.gz GHOMJSXDTCIMAY-AWEZNQCLSA-N 2 0 272.433 1.757 10 0 CDAERP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857857296 755310022 /nfs/dbraw/zinc/31/00/22/755310022.db2.gz SZYLMFFUKKTZDJ-KBPBESRZSA-N 2 0 280.416 1.734 10 0 CDAERP CC[NH+]1CCC(C[NH2+][C@@H]2C[C@@H](C)n3ncnc32)CC1 ZINC000924955947 755328085 /nfs/dbraw/zinc/32/80/85/755328085.db2.gz VPWJICGYTNIGFC-DGCLKSJQSA-N 2 0 263.389 1.605 10 0 CDAERP [NH3+][C@@H]1C[C@H](NC[C@H]2CN(C3CC3)C(=O)O2)c2ccccc21 ZINC000848721700 755335595 /nfs/dbraw/zinc/33/55/95/755335595.db2.gz NALFNPSBVJSBPW-GLQYFDAESA-N 2 0 287.363 1.704 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H](O)c1cc(C)cc(C)c1 ZINC000817930100 755444234 /nfs/dbraw/zinc/44/42/34/755444234.db2.gz MRVHDNHAHYNTGQ-HOTGVXAUSA-N 2 0 280.412 1.680 10 0 CDAERP C(C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)O[C@H]1CCOC1 ZINC000923361520 755515243 /nfs/dbraw/zinc/51/52/43/755515243.db2.gz FUVHNFWUGQWPRL-KKUMJFAQSA-N 2 0 268.401 1.113 10 0 CDAERP [NH3+]C1CCC([NH2+]Cc2nc3c(s2)C[NH2+]CC3)CC1 ZINC000853245707 755551186 /nfs/dbraw/zinc/55/11/86/755551186.db2.gz BTPLITMSSBLNCD-UHFFFAOYSA-N 3 0 266.414 1.148 10 0 CDAERP CCOc1ccc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)nc1 ZINC000923496830 755564666 /nfs/dbraw/zinc/56/46/66/755564666.db2.gz BWEVSLLYZGLTQH-QWHCGFSZSA-N 2 0 263.385 1.897 10 0 CDAERP CN1C(=O)c2ccccc2[C@H]1C[NH2+]C1[C@@H]2CC[C@H]1C[N@@H+](C)C2 ZINC000926762692 755575052 /nfs/dbraw/zinc/57/50/52/755575052.db2.gz BFDAEYFDKATAHZ-RIRPEUGRSA-N 2 0 299.418 1.743 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[C@H]([NH3+])C1)[NH+]1CCCCC1 ZINC000091549039 755603997 /nfs/dbraw/zinc/60/39/97/755603997.db2.gz HHBXFOQCOCKVGL-AGIUHOORSA-N 2 0 253.390 1.104 10 0 CDAERP C[N@H+](CC1CC[NH+](C)CC1)CN1C[C@@H](C(F)F)CC1=O ZINC000795426298 755618020 /nfs/dbraw/zinc/61/80/20/755618020.db2.gz MKLUTODLAPYSGP-LBPRGKRZSA-N 2 0 289.370 1.331 10 0 CDAERP C[NH+](C)Cc1ccccc1CNC(=O)C=C1CC[NH2+]CC1 ZINC000852855821 755632884 /nfs/dbraw/zinc/63/28/84/755632884.db2.gz OXFNJHIUKYIKTA-UHFFFAOYSA-N 2 0 287.407 1.674 10 0 CDAERP C[NH+]1CCN(CCC[NH2+][C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000924577591 755636840 /nfs/dbraw/zinc/63/68/40/755636840.db2.gz HVIOTQUPTQBFSL-DLBZAZTESA-N 2 0 294.487 1.230 10 0 CDAERP CCOCCOCC[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000923415461 755663796 /nfs/dbraw/zinc/66/37/96/755663796.db2.gz QCMBZWKFJQZTAP-OAHLLOKOSA-N 2 0 272.433 1.736 10 0 CDAERP COc1ccc([C@H](C)[NH2+]CCN2CCC([NH3+])CC2)cc1F ZINC000925809013 755682945 /nfs/dbraw/zinc/68/29/45/755682945.db2.gz GUFNIHBHLJKOKT-LBPRGKRZSA-N 2 0 295.402 1.908 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)[C@@H]2CCC[C@H]21 ZINC000925879951 755698024 /nfs/dbraw/zinc/69/80/24/755698024.db2.gz NAADFAWJRFVTMY-CAEXGNQWSA-N 3 0 251.418 1.576 10 0 CDAERP CC1(C)C[C@H](C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C(C)(C)O1 ZINC000709702085 755773567 /nfs/dbraw/zinc/77/35/67/755773567.db2.gz JWTFCMSXCZPQLS-FRRDWIJNSA-N 2 0 252.402 1.731 10 0 CDAERP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H](O)CC3CCCC3)C[C@@H]2C1 ZINC000389410798 755791286 /nfs/dbraw/zinc/79/12/86/755791286.db2.gz LANBMUCMFFIWHE-OWCLPIDISA-N 2 0 266.429 1.811 10 0 CDAERP Cc1nnc(CC[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)s1 ZINC000858165268 755839477 /nfs/dbraw/zinc/83/94/77/755839477.db2.gz QOJOUDMREBKWNK-NSHDSACASA-N 2 0 268.430 1.851 10 0 CDAERP CC(C)O[C@]1(C[NH2+]CC2CC[NH+](C)CC2)CCOC1 ZINC000722343575 755843774 /nfs/dbraw/zinc/84/37/74/755843774.db2.gz JBZFLFNBMUTIEF-HNNXBMFYSA-N 2 0 270.417 1.502 10 0 CDAERP COC(=O)c1ccc(CN2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1 ZINC000703568731 755857569 /nfs/dbraw/zinc/85/75/69/755857569.db2.gz USEZTLFTROZUAN-GOEBONIOSA-N 2 0 274.364 1.515 10 0 CDAERP [NH3+]Cc1cccc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000825547576 755857955 /nfs/dbraw/zinc/85/79/55/755857955.db2.gz NVGYAHBMOKBDKB-HOTGVXAUSA-N 2 0 287.407 1.750 10 0 CDAERP [NH3+]CCCCCC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000831683112 755887120 /nfs/dbraw/zinc/88/71/20/755887120.db2.gz OBFCILFGVCTYHZ-AWEZNQCLSA-N 2 0 253.390 1.108 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]([NH3+])C2CC2)[C@H](C)C1 ZINC000844188455 755943534 /nfs/dbraw/zinc/94/35/34/755943534.db2.gz TZZUHDBNIVKSJM-XBFCOCLRSA-N 2 0 267.417 1.303 10 0 CDAERP CCO[C@@H](C[N@@H+]1[C@@H]2CC[C@H]1CN(C)CC2)C1CC1 ZINC000931718992 755956244 /nfs/dbraw/zinc/95/62/44/755956244.db2.gz YVVIZTZNGZBLNC-ILXRZTDVSA-N 2 0 252.402 1.970 10 0 CDAERP C[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c1cccc(NS(C)(=O)=O)c1 ZINC000817906990 756021481 /nfs/dbraw/zinc/02/14/81/756021481.db2.gz KMVPZDDLIVLJLC-SDDRHHMPSA-N 2 0 299.440 1.835 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000857253748 756038214 /nfs/dbraw/zinc/03/82/14/756038214.db2.gz RADLPMJMSFVRBB-UWVGGRQHSA-N 2 0 269.216 1.914 10 0 CDAERP Cc1ccc(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)nn1 ZINC000850354041 756054698 /nfs/dbraw/zinc/05/46/98/756054698.db2.gz SVIXNZKVYYGHMT-AWEZNQCLSA-N 2 0 279.432 1.147 10 0 CDAERP C[C@@H](CNC1=[NH+]CCCCN1)[N@@H+]1CCCC[C@H]1C ZINC000849215455 756079432 /nfs/dbraw/zinc/07/94/32/756079432.db2.gz KLTKASNAKIDCPG-OLZOCXBDSA-N 2 0 252.406 1.578 10 0 CDAERP CCC[N@H+](CC)CCNC(=[NH2+])N1CC[C@@H](CC)C1 ZINC000864456399 756103126 /nfs/dbraw/zinc/10/31/26/756103126.db2.gz HKYHXFZDWBSHGL-CYBMUJFWSA-N 2 0 254.422 1.975 10 0 CDAERP COC[C@@H](O)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000802310400 756253736 /nfs/dbraw/zinc/25/37/36/756253736.db2.gz RGKQRQWAAHXSFC-IMJJTQAJSA-N 2 0 284.444 1.626 10 0 CDAERP CCOC(=O)COCC[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000810001572 756255420 /nfs/dbraw/zinc/25/54/20/756255420.db2.gz ICJOIJQERJFAHR-UHFFFAOYSA-N 2 0 298.427 1.374 10 0 CDAERP C[NH+](C)CC1(O)CC[NH+](C[C@H]2CC(C)(C)CO2)CC1 ZINC000710562768 756264220 /nfs/dbraw/zinc/26/42/20/756264220.db2.gz QGPLKEZQWNCAQO-CYBMUJFWSA-N 2 0 270.417 1.190 10 0 CDAERP [NH3+]CCCCCC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000852839156 756267345 /nfs/dbraw/zinc/26/73/45/756267345.db2.gz YBKABRCIFIJRIT-HNNXBMFYSA-N 2 0 281.444 1.744 10 0 CDAERP CC[C@H]1CCN(C(=[NH2+])NCC2(C)CC[NH+](C)CC2)C1 ZINC000864462566 756302398 /nfs/dbraw/zinc/30/23/98/756302398.db2.gz MYERFAKTLIXHAL-ZDUSSCGKSA-N 2 0 266.433 1.975 10 0 CDAERP CC1(C)[C@H](NC[C@H]2C[NH2+]CCC2(F)F)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925776126 756303917 /nfs/dbraw/zinc/30/39/17/756303917.db2.gz JAAJTAZNBXBQQE-FVCCEPFGSA-N 2 0 287.398 1.597 10 0 CDAERP C[C@H]1CC[NH2+][C@@H](C(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000126771396 756348876 /nfs/dbraw/zinc/34/88/76/756348876.db2.gz FTBWVGMOVNAKLW-GOEBONIOSA-N 2 0 293.455 1.709 10 0 CDAERP C[C@@H]1C[N@@H+]([C@H]2CCc3ccccc3NC2=O)CC[C@@H]1C[NH3+] ZINC000923495466 756376193 /nfs/dbraw/zinc/37/61/93/756376193.db2.gz WCUUWZIQSORAFU-XPKDYRNWSA-N 2 0 287.407 1.857 10 0 CDAERP CC[C@H]1CCN(C(=[NH2+])NC[C@H](C)[N@H+](C)C2CC2)C1 ZINC000864456499 756403582 /nfs/dbraw/zinc/40/35/82/756403582.db2.gz HRQQLENCDSAKER-RYUDHWBXSA-N 2 0 252.406 1.725 10 0 CDAERP COCC[N@H+](CCN1CCCC1)CC1CC[NH+](C)CC1 ZINC000931381403 756438807 /nfs/dbraw/zinc/43/88/07/756438807.db2.gz YBLWXKABBROFKH-UHFFFAOYSA-N 2 0 283.460 1.372 10 0 CDAERP CCNC(=O)C(C)(C)C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925608387 756444379 /nfs/dbraw/zinc/44/43/79/756444379.db2.gz XCHGMEQDNXITLT-GHMZBOCLSA-N 2 0 253.390 1.008 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000861563419 756467313 /nfs/dbraw/zinc/46/73/13/756467313.db2.gz RCKOSJVUXGTLJQ-UONOGXRCSA-N 2 0 296.459 1.689 10 0 CDAERP CC(C)C[NH+](CC(C)C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923300594 756509695 /nfs/dbraw/zinc/50/96/95/756509695.db2.gz XABYDLVFHXUFOI-AWEZNQCLSA-N 2 0 254.418 1.979 10 0 CDAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CC=CCC2)C[C@H]1C[NH+](C)C ZINC000870023828 756516386 /nfs/dbraw/zinc/51/63/86/756516386.db2.gz BNDCWIMULJVOAZ-BZUAXINKSA-N 2 0 293.455 1.541 10 0 CDAERP CC[NH+](CC)CCSCC(=O)NC1CC([NH+](C)C)C1 ZINC000808020199 756630266 /nfs/dbraw/zinc/63/02/66/756630266.db2.gz REJVWGCGDWCLJF-UHFFFAOYSA-N 2 0 287.473 1.270 10 0 CDAERP O[C@H](CC[C@H](O)c1ccccc1)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000929312617 756650997 /nfs/dbraw/zinc/65/09/97/756650997.db2.gz LLRCGDAXMVCLIM-TWMKSMIVSA-N 2 0 290.407 1.012 10 0 CDAERP C[NH+](C)C1CCN(C(=O)CC[NH2+]C(C)(C)C)CC1 ZINC000037633538 756711185 /nfs/dbraw/zinc/71/11/85/756711185.db2.gz HMYSFWJEKGKVIQ-UHFFFAOYSA-N 2 0 255.406 1.317 10 0 CDAERP CSCC1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923448395 756744937 /nfs/dbraw/zinc/74/49/37/756744937.db2.gz TVMQCWFZZHCCGZ-CYBMUJFWSA-N 2 0 270.442 1.440 10 0 CDAERP C[C@@H](C(=O)NC[C@@H]1CCCO1)[N@H+](C)CCCCCC[NH3+] ZINC000872155455 756751656 /nfs/dbraw/zinc/75/16/56/756751656.db2.gz SNYFFCAPKMIWQA-KBPBESRZSA-N 2 0 285.432 1.121 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C)C(C)(C)CC1 ZINC000871153827 756761291 /nfs/dbraw/zinc/76/12/91/756761291.db2.gz MTDYVZBYLGHDFQ-GFCCVEGCSA-N 2 0 253.390 1.023 10 0 CDAERP CCCN(C(=O)N[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@H+](C)C1 ZINC000925348766 756804627 /nfs/dbraw/zinc/80/46/27/756804627.db2.gz MXQLEOYZTMIJHF-MGPQQGTHSA-N 2 0 282.432 1.205 10 0 CDAERP C[C@H](CCC[NH3+])[NH2+]Cc1cnn(-c2ccccc2)n1 ZINC000841081873 756816358 /nfs/dbraw/zinc/81/63/58/756816358.db2.gz YZLQPJZSWIGAOU-GFCCVEGCSA-N 2 0 259.357 1.484 10 0 CDAERP C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1)c1cccs1 ZINC000923501849 756823494 /nfs/dbraw/zinc/82/34/94/756823494.db2.gz WGGQGSPCDPUAKS-AGIUHOORSA-N 2 0 295.452 1.842 10 0 CDAERP Cn1c(C[NH2+]C2CCN(CC[NH+](C)C)CC2)cnc1Cl ZINC000848524002 756823589 /nfs/dbraw/zinc/82/35/89/756823589.db2.gz FHPYOATUKCXURD-UHFFFAOYSA-N 2 0 299.850 1.189 10 0 CDAERP C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2F)CC[C@@H]1C[NH3+] ZINC000923492348 756826518 /nfs/dbraw/zinc/82/65/18/756826518.db2.gz NBVNOOOENXARTI-MGPQQGTHSA-N 2 0 296.386 1.482 10 0 CDAERP C[C@@H]1C[NH+](CCCNC(=[NH2+])NCCC2CC2)C[C@@H](C)O1 ZINC000864449862 756826584 /nfs/dbraw/zinc/82/65/84/756826584.db2.gz BNFMIIMLQPLFBR-CHWSQXEVSA-N 2 0 282.432 1.400 10 0 CDAERP C/C=C(\CC)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870019477 756837731 /nfs/dbraw/zinc/83/77/31/756837731.db2.gz GLQJBSWHGCZROK-PHIGAYBXSA-N 2 0 281.444 1.541 10 0 CDAERP CC(C)[C@H]1CCN(C[NH+]2CCC(C[NH+](C)C)CC2)C1=O ZINC000853496289 756854039 /nfs/dbraw/zinc/85/40/39/756854039.db2.gz CUYQKBVYJDZASU-OAHLLOKOSA-N 2 0 281.444 1.722 10 0 CDAERP CCCN(C(=O)N[C@@H]1CC[NH+](C)[C@H]1C)[C@H]1CC[N@H+](C)C1 ZINC000925348765 756861845 /nfs/dbraw/zinc/86/18/45/756861845.db2.gz MXQLEOYZTMIJHF-MELADBBJSA-N 2 0 282.432 1.205 10 0 CDAERP [NH3+]CCOCC[N@@H+]1CC[C@]2(CCc3ccccc32)C1 ZINC000872146216 756866706 /nfs/dbraw/zinc/86/67/06/756866706.db2.gz IHAPYAOCZYGTPK-MRXNPFEDSA-N 2 0 260.381 1.552 10 0 CDAERP CCC[NH2+][C@H](C)c1nc([C@H]2CN3CCC[C@H]3CO2)no1 ZINC000252549339 756886855 /nfs/dbraw/zinc/88/68/55/756886855.db2.gz NODPCANKEGSFDZ-GRYCIOLGSA-N 2 0 280.372 1.666 10 0 CDAERP COCCNC(=O)[C@H](CC(C)C)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925635232 756949658 /nfs/dbraw/zinc/94/96/58/756949658.db2.gz SQTDFWKZQGPLRP-IHRRRGAJSA-N 2 0 297.443 1.023 10 0 CDAERP CCNC(=O)C(C)(C)C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925608516 756975769 /nfs/dbraw/zinc/97/57/69/756975769.db2.gz ZHSGNBFSFYCIGE-FRRDWIJNSA-N 2 0 281.444 1.515 10 0 CDAERP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCS[C@@H](C(F)(F)F)C2)C1 ZINC000721494947 756986356 /nfs/dbraw/zinc/98/63/56/756986356.db2.gz YNWTWSZQHSUNER-HRDYMLBCSA-N 2 0 254.321 1.703 10 0 CDAERP COc1ccccc1C[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923297961 757019160 /nfs/dbraw/zinc/01/91/60/757019160.db2.gz GQPXOOKICUEYRP-AWEZNQCLSA-N 2 0 276.380 1.506 10 0 CDAERP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925726929 757109422 /nfs/dbraw/zinc/10/94/22/757109422.db2.gz MBWTWJNIEQSLQX-CYUUQNCZSA-N 3 0 251.418 1.482 10 0 CDAERP C[C@@H]1C[C@H]1NC(=[NH2+])NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000864464866 757127552 /nfs/dbraw/zinc/12/75/52/757127552.db2.gz JXVOAZCFVOENDD-IJLUTSLNSA-N 2 0 252.406 1.629 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000713066494 757152886 /nfs/dbraw/zinc/15/28/86/757152886.db2.gz GPVGHKYFUKOYGX-AVGNSLFASA-N 2 0 269.433 1.595 10 0 CDAERP CCC[NH+]1CCC(C[NH2+]Cc2cnn(C)n2)CC1 ZINC000815123621 757190534 /nfs/dbraw/zinc/19/05/34/757190534.db2.gz JXQLORHWIBWPKY-UHFFFAOYSA-N 2 0 251.378 1.027 10 0 CDAERP CC(C)CCOCCNC(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923498396 757199081 /nfs/dbraw/zinc/19/90/81/757199081.db2.gz PFTDWKLERBMNIF-GJZGRUSLSA-N 2 0 299.459 1.082 10 0 CDAERP CC[NH+]1CCC(C[NH2+][C@@H](C)c2cn(C)nn2)CC1 ZINC000715927767 757211576 /nfs/dbraw/zinc/21/15/76/757211576.db2.gz LSCGNFNRGSPSBW-NSHDSACASA-N 2 0 251.378 1.198 10 0 CDAERP CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711277729 757220651 /nfs/dbraw/zinc/22/06/51/757220651.db2.gz SYRUGJCYJPUOHC-CYBMUJFWSA-N 2 0 267.417 1.032 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCOC[C@@H]1C(C)C ZINC000926150025 757296303 /nfs/dbraw/zinc/29/63/03/757296303.db2.gz ICTYWKMURINAJZ-HZPDHXFCSA-N 2 0 286.460 1.996 10 0 CDAERP [NH3+]CCC[N@@H+](Cc1ccccc1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923348882 757393137 /nfs/dbraw/zinc/39/31/37/757393137.db2.gz NAYXWKNGVFWFNB-INIZCTEOSA-N 3 0 289.423 1.216 10 0 CDAERP CNC(=O)[C@H](CCSC)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925669256 757404173 /nfs/dbraw/zinc/40/41/73/757404173.db2.gz RYTHWMJUTZIFET-TUAOUCFPSA-N 2 0 287.473 1.350 10 0 CDAERP Cn1nnc2c1C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)CC2 ZINC000925892936 757435633 /nfs/dbraw/zinc/43/56/33/757435633.db2.gz ICZDLXLALLAZIV-IJLUTSLNSA-N 2 0 277.416 1.168 10 0 CDAERP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CCO[C@H]3CCOC3)C2)C1 ZINC000923387698 757490933 /nfs/dbraw/zinc/49/09/33/757490933.db2.gz JZARCCKKTLJWBZ-WCVJEAGWSA-N 2 0 298.427 1.010 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CCN(C)c3ncccc3C2)CC[NH2+]1 ZINC000872257303 757572623 /nfs/dbraw/zinc/57/26/23/757572623.db2.gz DTERZQXIUNHKAN-ZIAGYGMSSA-N 2 0 274.412 1.722 10 0 CDAERP CCCC[N@H+](C)CCNC(=[NH2+])N1CC[C@@H](CC)C1 ZINC000864457267 757586427 /nfs/dbraw/zinc/58/64/27/757586427.db2.gz CDMKPMGCNACCRO-CYBMUJFWSA-N 2 0 254.422 1.975 10 0 CDAERP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCC[C@@H](Cc3nccs3)C2)C1 ZINC000923432404 757659874 /nfs/dbraw/zinc/65/98/74/757659874.db2.gz LZQJEZQLKCFYOL-CYDGBPFRSA-N 2 0 281.425 1.248 10 0 CDAERP c1[nH+]cn2ccc(-c3noc([C@@H]4C[C@]45CC[NH2+]C5)n3)cc12 ZINC000823167515 757733299 /nfs/dbraw/zinc/73/32/99/757733299.db2.gz ILBCURCWTVTWEV-WFASDCNBSA-N 2 0 281.319 1.851 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCCNC(=O)C2CCC2)C1 ZINC000925574497 757741507 /nfs/dbraw/zinc/74/15/07/757741507.db2.gz BMNKONHCARNNAH-KBPBESRZSA-N 2 0 281.444 1.788 10 0 CDAERP C[C@H]1[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[N@@H+]1C ZINC000928444325 757809700 /nfs/dbraw/zinc/80/97/00/757809700.db2.gz KSVOTTHVFGKCFP-KBPBESRZSA-N 2 0 267.417 1.461 10 0 CDAERP COc1coc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cc1=O ZINC000923501075 757814329 /nfs/dbraw/zinc/81/43/29/757814329.db2.gz YWIJWTDLGHZWNI-WDEREUQCSA-N 2 0 266.341 1.065 10 0 CDAERP CC1(C)[C@@H]([NH3+])c2ccccc2N1C(=O)C[C@@H]1COCC[NH2+]1 ZINC000867988761 757821112 /nfs/dbraw/zinc/82/11/12/757821112.db2.gz UAVJMWDBPPUUIN-ABAIWWIYSA-N 2 0 289.379 1.190 10 0 CDAERP Cn1c(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cnc1Cl ZINC000848555694 757851369 /nfs/dbraw/zinc/85/13/69/757851369.db2.gz DNRPUKWHULIPEO-LLVKDONJSA-N 2 0 270.808 1.895 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H]2CCN(C3CC3)C2)C1 ZINC000925494123 757860264 /nfs/dbraw/zinc/86/02/64/757860264.db2.gz JKISYMNOCJYRTO-JHJVBQTASA-N 2 0 251.418 1.719 10 0 CDAERP C[C@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH+](C)C ZINC000810091651 757899971 /nfs/dbraw/zinc/89/99/71/757899971.db2.gz DGJYQPZATSALGV-BXUZGUMPSA-N 2 0 273.396 1.265 10 0 CDAERP CC[C@@H](O)CCC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925581754 758190014 /nfs/dbraw/zinc/19/00/14/758190014.db2.gz UQRYEQQIOIJNBJ-RQJABVFESA-N 2 0 254.418 1.904 10 0 CDAERP CN(CCC[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)CC[NH+](C)C ZINC000922274393 758243652 /nfs/dbraw/zinc/24/36/52/758243652.db2.gz DOPQUOMNCCZPTJ-FIDHJVLJSA-N 2 0 295.471 1.273 10 0 CDAERP COC(=O)c1coc([C@H](C)N2CC[C@H](C[NH3+])[C@@H](C)C2)n1 ZINC000923492154 758281290 /nfs/dbraw/zinc/28/12/90/758281290.db2.gz WOPXIUAEKXHECG-GARJFASQSA-N 2 0 281.356 1.439 10 0 CDAERP C[NH+](C)CC1CC[NH+](C[C@H]2CCC3(COC3)O2)CC1 ZINC000929282664 758320394 /nfs/dbraw/zinc/32/03/94/758320394.db2.gz MCERFRDWWRIPJS-CQSZACIVSA-N 2 0 268.401 1.208 10 0 CDAERP CNC(=O)NC[C@H]1CCCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000866685239 758377001 /nfs/dbraw/zinc/37/70/01/758377001.db2.gz GDFCBNFGBLZDKS-UONOGXRCSA-N 2 0 282.432 1.160 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H](O)Cc1ccccc1F ZINC000926868163 758453399 /nfs/dbraw/zinc/45/33/99/758453399.db2.gz ODWWZDDFWAAOSQ-QDSSRZTBSA-N 2 0 292.398 1.659 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)COC1CC[NH+](C)CC1 ZINC000930190488 758489828 /nfs/dbraw/zinc/48/98/28/758489828.db2.gz OTSRGDIJUIZFSH-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP C[N@H+](CCN1CC[NH2+]CC1)C[C@@H]1CCC2(CCC2)CO1 ZINC000716318527 758625465 /nfs/dbraw/zinc/62/54/65/758625465.db2.gz SMGLDJMGKTZUPP-HNNXBMFYSA-N 2 0 281.444 1.173 10 0 CDAERP CCN(OC)C(=O)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000843429795 758685914 /nfs/dbraw/zinc/68/59/14/758685914.db2.gz CQFDBSWDLLUUDW-UHFFFAOYSA-N 2 0 292.383 1.050 10 0 CDAERP CC1(C)CC[C@H](C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)OC1 ZINC000713590982 758790700 /nfs/dbraw/zinc/79/07/00/758790700.db2.gz FTEYKIGDFDYEFB-UKRRQHHQSA-N 2 0 252.402 1.877 10 0 CDAERP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CCSC(F)(F)F)C1 ZINC000127894427 758805446 /nfs/dbraw/zinc/80/54/46/758805446.db2.gz XZMWOUMDOPYXRJ-VIFPVBQESA-N 2 0 299.362 1.026 10 0 CDAERP CC1([NH+]2CCCCC2)CCN(CCOCC[NH3+])CC1 ZINC000872146456 758806752 /nfs/dbraw/zinc/80/67/52/758806752.db2.gz OJIWDGSWYFXQAS-UHFFFAOYSA-N 2 0 269.433 1.302 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000926684878 758817779 /nfs/dbraw/zinc/81/77/79/758817779.db2.gz IAPKZEMYZAGOCF-NJINODPHSA-N 2 0 297.487 1.806 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)C[C@H]1CCC2(CCC2)O1 ZINC000712513238 758835478 /nfs/dbraw/zinc/83/54/78/758835478.db2.gz WVXRFHSMLJGUQH-CYBMUJFWSA-N 2 0 256.390 1.256 10 0 CDAERP COC[C@H](C[NH+]1CCC(CO)([NH2+]CC2CC2)CC1)C(C)C ZINC000930672994 758845169 /nfs/dbraw/zinc/84/51/69/758845169.db2.gz FEFPUGNXCBVAHS-INIZCTEOSA-N 2 0 298.471 1.732 10 0 CDAERP CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CCC[NH+](C)C ZINC001565937558 1168203892 /nfs/dbraw/zinc/20/38/92/1168203892.db2.gz AUEPHJVSOYIFLQ-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP C[NH+](C)CCC(=O)NCCC[N@H+](C)Cc1ccc(F)cn1 ZINC001566488564 1168305634 /nfs/dbraw/zinc/30/56/34/1168305634.db2.gz CRLJHLXXFDYBRV-UHFFFAOYSA-N 2 0 296.390 1.111 10 0 CDAERP CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001272281693 912627506 /nfs/dbraw/zinc/62/75/06/912627506.db2.gz UHVXUWXLCXDHMG-CABCVRRESA-N 2 0 293.455 1.899 10 0 CDAERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CCCF ZINC001266960030 896444960 /nfs/dbraw/zinc/44/49/60/896444960.db2.gz BAYIMTRJXZXAHP-GFCCVEGCSA-N 2 0 273.396 1.315 10 0 CDAERP CCC[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001266994768 896514456 /nfs/dbraw/zinc/51/44/56/896514456.db2.gz PBWWGTZBIDYPRW-KBPBESRZSA-N 2 0 269.433 1.611 10 0 CDAERP COc1ccccc1N1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000693564008 896674596 /nfs/dbraw/zinc/67/45/96/896674596.db2.gz YANSEUOYASCPHH-OKILXGFUSA-N 2 0 275.396 1.555 10 0 CDAERP CN(CC[NH2+]CCc1ccccc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267072178 896689838 /nfs/dbraw/zinc/68/98/38/896689838.db2.gz UNHARYBXTRKGQA-MRXNPFEDSA-N 2 0 289.423 1.229 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+]CC[C@@H]1CCCCO1 ZINC001267117153 896838160 /nfs/dbraw/zinc/83/81/60/896838160.db2.gz NTMRIJQYRCAOCZ-HNNXBMFYSA-N 2 0 299.459 1.334 10 0 CDAERP CCOCC[N@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001267248644 897331441 /nfs/dbraw/zinc/33/14/41/897331441.db2.gz FFAWJKDGDVLOCM-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP CC/C=C/CC[N@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001480935542 897738323 /nfs/dbraw/zinc/73/83/23/897738323.db2.gz PPFSNXXSKQKBIJ-NFAHFFEMSA-N 2 0 281.444 1.733 10 0 CDAERP Cc1nsc(C)c1C[NH2+]CCN(C)C(=O)CC[NH+](C)C ZINC001267424225 897888890 /nfs/dbraw/zinc/88/88/90/897888890.db2.gz HNUDWBFABJSSDH-UHFFFAOYSA-N 2 0 298.456 1.260 10 0 CDAERP COC[C@@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)OC ZINC000694256942 898222971 /nfs/dbraw/zinc/22/29/71/898222971.db2.gz PVDDPULWHJQHHD-WTUNAVPPSA-N 2 0 256.390 1.253 10 0 CDAERP CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001279111877 899085989 /nfs/dbraw/zinc/08/59/89/899085989.db2.gz FJYSEUFWPOZRJM-UONOGXRCSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)CCC[NH+]1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001267691341 899292013 /nfs/dbraw/zinc/29/20/13/899292013.db2.gz OUEZDJSUTIPWII-UHFFFAOYSA-N 2 0 269.433 1.422 10 0 CDAERP CC(C)CC[NH2+]CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001481231024 899515241 /nfs/dbraw/zinc/51/52/41/899515241.db2.gz MOLQRAOFXYOCMU-OAHLLOKOSA-N 2 0 281.444 1.422 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CC[NH2+]CC)C1 ZINC001481270315 899776917 /nfs/dbraw/zinc/77/69/17/899776917.db2.gz WGUVULMFGFEJNL-ZDUSSCGKSA-N 2 0 255.406 1.176 10 0 CDAERP CC/C=C\CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001267815955 899800812 /nfs/dbraw/zinc/80/08/12/899800812.db2.gz RUJOPXMSULKSKN-NHQLZKDQSA-N 2 0 281.444 1.921 10 0 CDAERP C[NH+](C)C1(C)CCC(NC(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC000709572518 900175716 /nfs/dbraw/zinc/17/57/16/900175716.db2.gz XMLKURSLFUPJAI-ZALBZXLWSA-N 2 0 267.417 1.508 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)CC[NH2+]Cc1ccccc1F ZINC001481297529 900229653 /nfs/dbraw/zinc/22/96/53/900229653.db2.gz QBRIZVWBRBPHHC-UHFFFAOYSA-N 2 0 295.402 1.716 10 0 CDAERP CN(CC[NH2+]Cc1ccccc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001481314484 900357054 /nfs/dbraw/zinc/35/70/54/900357054.db2.gz GRIWSYQZDWCLHU-OAHLLOKOSA-N 2 0 275.396 1.186 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH+](C)CCCF)C2)CC[N@@H+]1C ZINC001481484887 900882887 /nfs/dbraw/zinc/88/28/87/900882887.db2.gz DONMAQHRESVHKO-RBSFLKMASA-N 2 0 299.434 1.467 10 0 CDAERP CCOCC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001279250137 900973695 /nfs/dbraw/zinc/97/36/95/900973695.db2.gz SDRARGZBOVZAOD-YMAMQOFZSA-N 2 0 297.443 1.086 10 0 CDAERP CC[NH2+]CC1CC(NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001282058001 901372388 /nfs/dbraw/zinc/37/23/88/901372388.db2.gz NDXBTHNBBAUCCK-UHFFFAOYSA-N 2 0 269.433 1.469 10 0 CDAERP C[C@H](CC[NH2+]CCC(F)(F)F)NC(=O)CC[NH+](C)C ZINC001268395297 901986109 /nfs/dbraw/zinc/98/61/09/901986109.db2.gz APSYGTCWYHCTNJ-SNVBAGLBSA-N 2 0 283.338 1.375 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]CC(C)C)[NH+](C)C ZINC001268412582 902022397 /nfs/dbraw/zinc/02/23/97/902022397.db2.gz ABMKGHOISHIXKX-STQMWFEESA-N 2 0 257.422 1.467 10 0 CDAERP O=C(C[NH+]1CCCC1)NC1CN(CCCCCF)C1 ZINC001268484376 902337348 /nfs/dbraw/zinc/33/73/48/902337348.db2.gz IBHLSXVWFRAMKP-UHFFFAOYSA-N 2 0 271.380 1.022 10 0 CDAERP CCOCC[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001482027728 902487489 /nfs/dbraw/zinc/48/74/89/902487489.db2.gz NBYSVBCHTJOXSZ-SHTZXODSSA-N 2 0 299.459 1.380 10 0 CDAERP C[C@@H](C[NH2+]CCc1ccccc1)NC(=O)Cc1ncc[nH]1 ZINC001268707337 902993687 /nfs/dbraw/zinc/99/36/87/902993687.db2.gz AMHXARCLGAOXEZ-ZDUSSCGKSA-N 2 0 286.379 1.289 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001268716704 903006810 /nfs/dbraw/zinc/00/68/10/903006810.db2.gz IQPXINAZUXEACY-ZDUSSCGKSA-N 2 0 257.422 1.467 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1CC[N@H+](CC=C(C)C)C1 ZINC001269134289 903462222 /nfs/dbraw/zinc/46/22/22/903462222.db2.gz KSKITVKCFPMVAT-HUUCEWRRSA-N 2 0 299.434 1.823 10 0 CDAERP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CC=C(C)C ZINC001269459784 903829715 /nfs/dbraw/zinc/82/97/15/903829715.db2.gz BQLBEBHXRFFLQB-CYBMUJFWSA-N 2 0 255.406 1.389 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+]CC1CCC1 ZINC001270602018 904779831 /nfs/dbraw/zinc/77/98/31/904779831.db2.gz AFRSGWFLMODOBI-CYBMUJFWSA-N 2 0 269.433 1.469 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+]C/C=C\Cl ZINC001270605358 904782193 /nfs/dbraw/zinc/78/21/93/904782193.db2.gz ZDELGVIGRQZWNF-FOQNGQEVSA-N 2 0 275.824 1.421 10 0 CDAERP C[C@H](C[NH2+]C/C=C\Cl)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001482300108 904784716 /nfs/dbraw/zinc/78/47/16/904784716.db2.gz XNYDAXPEPRRWIG-UWNIJABGSA-N 2 0 287.835 1.660 10 0 CDAERP CC(C)[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001482439952 905424255 /nfs/dbraw/zinc/42/42/55/905424255.db2.gz YCXNRCCCZJIBIV-KGLIPLIRSA-N 2 0 269.433 1.562 10 0 CDAERP C[C@H](CC[NH2+]C[C@H]1CCCCO1)NC(=O)Cc1c[nH]cn1 ZINC001482874491 908453054 /nfs/dbraw/zinc/45/30/54/908453054.db2.gz YFGANFJRNNXSGP-TZMCWYRMSA-N 2 0 294.399 1.006 10 0 CDAERP CCC[NH2+]CC[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001482885366 908459158 /nfs/dbraw/zinc/45/91/58/908459158.db2.gz NYSRIFVHTWNZRP-AWEZNQCLSA-N 2 0 269.433 1.613 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](CCC2CC2)C1 ZINC001494863838 910695588 /nfs/dbraw/zinc/69/55/88/910695588.db2.gz ORPSTCWSCDOIDE-OAHLLOKOSA-N 2 0 281.444 1.661 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001483377001 911018776 /nfs/dbraw/zinc/01/87/76/911018776.db2.gz GQPHFUAWPHBPTK-AWEZNQCLSA-N 2 0 281.444 1.731 10 0 CDAERP CC[C@H](C(=O)N(C)CCC[NH2+]C[C@@H]1CCCOC1)[NH+](C)C ZINC001483474637 911166367 /nfs/dbraw/zinc/16/63/67/911166367.db2.gz SMVDQTISAMWPHQ-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP CC[NH2+]CC[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001568069215 1169131417 /nfs/dbraw/zinc/13/14/17/1169131417.db2.gz BWKXLHTXJAASEJ-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CCCF)CC[N@@H+]1C ZINC001568138331 1169147171 /nfs/dbraw/zinc/14/71/71/1169147171.db2.gz UZQZFWUROHMVIG-QLFBSQMISA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]CCF)C1 ZINC001484356350 915666498 /nfs/dbraw/zinc/66/64/98/915666498.db2.gz CMUCHOLZNCCXBV-QWHCGFSZSA-N 2 0 273.396 1.123 10 0 CDAERP CC(C)[NH2+]CC[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001484551792 915877893 /nfs/dbraw/zinc/87/78/93/915877893.db2.gz PTRBCHGMGOGRJX-CQSZACIVSA-N 2 0 269.433 1.563 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001493232017 936316916 /nfs/dbraw/zinc/31/69/16/936316916.db2.gz ZHISVYQBSWMNGR-ZIAGYGMSSA-N 2 0 299.434 1.514 10 0 CDAERP CC[NH2+]CC1(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CCOCC1 ZINC001484872038 916220068 /nfs/dbraw/zinc/22/00/68/916220068.db2.gz POSWGEPCXPMXHC-OKILXGFUSA-N 2 0 297.443 1.134 10 0 CDAERP CC[C@@H](F)C[NH2+]C1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001366246856 916494857 /nfs/dbraw/zinc/49/48/57/916494857.db2.gz FNKNSCZCWIXFSZ-IYXRBSQSSA-N 2 0 287.423 1.703 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)[NH2+]CCC1CC1 ZINC001485188667 916647167 /nfs/dbraw/zinc/64/71/67/916647167.db2.gz IQZXMGXHHWIWLQ-VXGBXAGGSA-N 2 0 255.406 1.221 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H](C)[NH2+]CCC(F)(F)F ZINC001485205392 916671603 /nfs/dbraw/zinc/67/16/03/916671603.db2.gz BJDJGSBEEVYHBP-QWRGUYRKSA-N 2 0 297.365 1.763 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)CCC(C)(C)C ZINC001485287780 916758846 /nfs/dbraw/zinc/75/88/46/916758846.db2.gz SUQLBTFDNJYNCZ-KGLIPLIRSA-N 2 0 283.460 1.953 10 0 CDAERP CCC(CC)C[NH+]1CC([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001485522783 917063094 /nfs/dbraw/zinc/06/30/94/917063094.db2.gz OLXIFFZWQUNQJU-CYBMUJFWSA-N 2 0 283.460 1.811 10 0 CDAERP CCCC[NH2+]C[C@H]1C[C@H](NC(=O)Cn2ccnc2C)C1 ZINC001485705661 917186140 /nfs/dbraw/zinc/18/61/40/917186140.db2.gz IUOZDASZBUVFJO-HDJSIYSDSA-N 2 0 278.400 1.476 10 0 CDAERP CC[NH2+][C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001485792478 917293474 /nfs/dbraw/zinc/29/34/74/917293474.db2.gz HVEKCHCLTJJGJO-CHWSQXEVSA-N 2 0 255.406 1.079 10 0 CDAERP C[C@@H](CC[NH2+]CC1CCC1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001272780831 919266247 /nfs/dbraw/zinc/26/62/47/919266247.db2.gz BZBLTDUYEULNHE-XJKSGUPXSA-N 2 0 293.455 1.613 10 0 CDAERP CCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001272822624 919754762 /nfs/dbraw/zinc/75/47/62/919754762.db2.gz GTCHWNMSLPAHTH-UONOGXRCSA-N 2 0 269.433 1.755 10 0 CDAERP C[C@@H]1[C@@H]([NH2+]CCCF)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001486085272 920685605 /nfs/dbraw/zinc/68/56/05/920685605.db2.gz PGEMBIZKNPXUCQ-OCCSQVGLSA-N 2 0 285.407 1.267 10 0 CDAERP CC(C)C[C@H](C[NH2+]CCCF)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001568325716 1169246516 /nfs/dbraw/zinc/24/65/16/1169246516.db2.gz OOBPIEXMPHLHIW-KGLIPLIRSA-N 2 0 287.423 1.561 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)[C@@H](C)CC[NH+](C)C)CC1 ZINC001140844703 936763855 /nfs/dbraw/zinc/76/38/55/936763855.db2.gz KZHTVZQXUWFYLA-UONOGXRCSA-N 2 0 269.433 1.517 10 0 CDAERP CC1(C)C[C@@H](C[NH2+]C[C@H](O)C[NH+]2CCCC2)C(C)(C)O1 ZINC000709748219 923209093 /nfs/dbraw/zinc/20/90/93/923209093.db2.gz BWXLNVJGROLMTG-KBPBESRZSA-N 2 0 284.444 1.626 10 0 CDAERP CC/C=C\CC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001490958123 936835355 /nfs/dbraw/zinc/83/53/55/936835355.db2.gz OUSVVNJTRDGRAS-KXQFTUHWSA-N 2 0 281.444 1.920 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001491172212 936869358 /nfs/dbraw/zinc/86/93/58/936869358.db2.gz BYJLLKQFYKVQFI-JKSUJKDBSA-N 2 0 295.471 1.812 10 0 CDAERP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC001119067311 925010741 /nfs/dbraw/zinc/01/07/41/925010741.db2.gz HFBJRZKSTHMOCY-OKWIKPQFSA-N 2 0 265.401 1.103 10 0 CDAERP CCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001410186055 925363118 /nfs/dbraw/zinc/36/31/18/925363118.db2.gz NZIPOXRNLODTEN-XHSDSOJGSA-N 2 0 295.471 1.955 10 0 CDAERP CCN(CC[NH2+]CC1=CCCCC1)C(=O)Cn1ccnc1 ZINC001273778131 925584665 /nfs/dbraw/zinc/58/46/65/925584665.db2.gz AKQPATZMGHUDNI-UHFFFAOYSA-N 2 0 290.411 1.822 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CCF)CC[N@@H+]1C ZINC001410390615 925592459 /nfs/dbraw/zinc/59/24/59/925592459.db2.gz WUNLTEJWYAURQW-RWMBFGLXSA-N 2 0 273.396 1.123 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCC1CCCC1 ZINC001410494242 925825559 /nfs/dbraw/zinc/82/55/59/925825559.db2.gz LRDAAKKNDGDCBY-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)CC(C)C ZINC001437648510 926846383 /nfs/dbraw/zinc/84/63/83/926846383.db2.gz GNXWLNCNPQVEAH-GASCZTMLSA-N 2 0 283.460 1.953 10 0 CDAERP CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001411189790 927193729 /nfs/dbraw/zinc/19/37/29/927193729.db2.gz SKLXNUJZJVQIKD-GJZGRUSLSA-N 2 0 299.459 1.022 10 0 CDAERP CC[C@H](C(=O)NC[C@H]([NH2+]CC(C)C)C1CC1)[NH+](C)C ZINC001490727615 927300886 /nfs/dbraw/zinc/30/08/86/927300886.db2.gz DELLBEIAKIOPSY-UONOGXRCSA-N 2 0 269.433 1.467 10 0 CDAERP C[N@H+](CC1CC1)C[C@@H]1CCN(CCOC(F)F)C1 ZINC000851795475 927629748 /nfs/dbraw/zinc/62/97/48/927629748.db2.gz CLSSHIOUDDXKGF-LBPRGKRZSA-N 2 0 262.344 1.889 10 0 CDAERP C[C@@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C[NH+](C)C ZINC000816832910 930366279 /nfs/dbraw/zinc/36/62/79/930366279.db2.gz QJRYIDRLSLDFLL-WFASDCNBSA-N 2 0 287.423 1.513 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1c(C)cccc1F ZINC000817898003 930621584 /nfs/dbraw/zinc/62/15/84/930621584.db2.gz YMPNCQBHKQJVHL-GFCCVEGCSA-N 2 0 254.349 1.978 10 0 CDAERP CC[C@@H](C[NH2+]C/C=C/CNC(=O)C1CC[NH+](C)CC1)OC ZINC001274330918 931491161 /nfs/dbraw/zinc/49/11/61/931491161.db2.gz HTEYZWALKFFMCI-NFAHFFEMSA-N 2 0 297.443 1.015 10 0 CDAERP O=C(NC/C=C\C[NH2+]CCF)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001274429142 931499378 /nfs/dbraw/zinc/49/93/78/931499378.db2.gz AQDVBMMPOCFRIW-GFCAHOMWSA-N 2 0 283.391 1.235 10 0 CDAERP C[C@H](C[NH2+]CC[C@H](C)F)NC(=O)C12CCC[NH+]1CCC2 ZINC001274824749 931584562 /nfs/dbraw/zinc/58/45/62/931584562.db2.gz FNMMLTPNIHVKKO-QWHCGFSZSA-N 2 0 285.407 1.457 10 0 CDAERP CC/C=C/CC[NH2+]C[C@H](C)NC(=O)Cn1cncc1C ZINC001275238696 931709989 /nfs/dbraw/zinc/70/99/89/931709989.db2.gz XEBBAQGXBQZCFO-GFUIURDCSA-N 2 0 278.400 1.642 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC001411616502 931918394 /nfs/dbraw/zinc/91/83/94/931918394.db2.gz IXMBHMZQJHEKOM-XJKSGUPXSA-N 2 0 293.455 1.850 10 0 CDAERP C[C@@H]1[C@H](NC(=O)CC2(C[NH3+])CCCCC2)CC[N@@H+]1C ZINC000719394776 932033618 /nfs/dbraw/zinc/03/36/18/932033618.db2.gz WZTIFKANRJUXPH-CHWSQXEVSA-N 2 0 267.417 1.495 10 0 CDAERP CC[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH+](C(C)C)C2)[C@H](C)C1 ZINC001412108527 932269654 /nfs/dbraw/zinc/26/96/54/932269654.db2.gz MGVZCCHPWNQBIR-HUUCEWRRSA-N 2 0 281.444 1.659 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001412481755 932448577 /nfs/dbraw/zinc/44/85/77/932448577.db2.gz OUSBCQPXDNHVTP-OWCLPIDISA-N 2 0 295.471 1.953 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)CC[N@@H+]2CC[C@@H](F)C2)CC1 ZINC001412590320 932536806 /nfs/dbraw/zinc/53/68/06/932536806.db2.gz PGUONMJRXABWIT-OAHLLOKOSA-N 2 0 299.434 1.659 10 0 CDAERP CCC[NH2+]CC1(NC(=O)[C@H]2CCC[N@@H+]2C)CCCCC1 ZINC001276188359 932621326 /nfs/dbraw/zinc/62/13/26/932621326.db2.gz IQPYWRVLJVBJAD-CQSZACIVSA-N 2 0 281.444 1.899 10 0 CDAERP CC[C@@H](C(=O)NC1(C[NH2+]CCOC)CCCCC1)[NH+](C)C ZINC001276225577 932661777 /nfs/dbraw/zinc/66/17/77/932661777.db2.gz BEPMQDARYSMLGZ-AWEZNQCLSA-N 2 0 299.459 1.382 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000925808568 932940859 /nfs/dbraw/zinc/94/08/59/932940859.db2.gz YWFDJTYAJMGNIW-DOLQZWNJSA-N 2 0 252.280 1.566 10 0 CDAERP CCCCCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC)C1 ZINC001490847880 934490209 /nfs/dbraw/zinc/49/02/09/934490209.db2.gz MGTBIWLXRNPGKN-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP CC(C)C[NH2+]CC[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001568671220 1169424000 /nfs/dbraw/zinc/42/40/00/1169424000.db2.gz MRTRDGLSDWDZOT-CYBMUJFWSA-N 2 0 269.433 1.469 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001276852926 941643633 /nfs/dbraw/zinc/64/36/33/941643633.db2.gz KYYJHTFKQOYTMO-HZPDHXFCSA-N 2 0 293.455 1.709 10 0 CDAERP CCCC[NH2+]C[C@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CCO1 ZINC001280595677 942465466 /nfs/dbraw/zinc/46/54/66/942465466.db2.gz OADPGMKUAAADDR-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)[C@H](C)[NH2+]CCCF ZINC001282210044 942678372 /nfs/dbraw/zinc/67/83/72/942678372.db2.gz YDLIPECDBXEDET-UONOGXRCSA-N 2 0 287.423 1.561 10 0 CDAERP CCCC[NH2+][C@H](C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001283622960 942950832 /nfs/dbraw/zinc/95/08/32/942950832.db2.gz SJUFFYZCEUURLH-CYBMUJFWSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001283652956 942958787 /nfs/dbraw/zinc/95/87/87/942958787.db2.gz NEEKLOOBHJSOJE-ZIAGYGMSSA-N 2 0 269.433 1.563 10 0 CDAERP C[C@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCCCCF ZINC001283653822 942959692 /nfs/dbraw/zinc/95/96/92/942959692.db2.gz QZGJQVZLPMYHOM-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)OCCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001283714446 942976366 /nfs/dbraw/zinc/97/63/66/942976366.db2.gz MTXSLBGDFNINBE-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@@H](CNC(=O)Cc2[nH]cnc2C)C1 ZINC001263849822 944002567 /nfs/dbraw/zinc/00/25/67/944002567.db2.gz YKYCPSZYNIHFJT-OKILXGFUSA-N 2 0 292.427 1.935 10 0 CDAERP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CC1CC(C)C1 ZINC001277922392 944054953 /nfs/dbraw/zinc/05/49/53/944054953.db2.gz MXFFNDNSHZVBBA-MOKVOYLWSA-N 2 0 269.433 1.421 10 0 CDAERP CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]C(C)C)C1)[NH+](C)C ZINC001264467639 944141070 /nfs/dbraw/zinc/14/10/70/944141070.db2.gz OYBZLXYBFSVSFJ-BFHYXJOUSA-N 2 0 269.433 1.610 10 0 CDAERP CCC[N@H+](C)CCCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001265056893 944215386 /nfs/dbraw/zinc/21/53/86/944215386.db2.gz CHLHSBSWGBMRCQ-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CC/C=C\CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001265350389 944354777 /nfs/dbraw/zinc/35/47/77/944354777.db2.gz PBGFKRBSZOZTQL-KSLSASGISA-N 2 0 293.455 1.921 10 0 CDAERP CC(C)=CC[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001265447841 944391230 /nfs/dbraw/zinc/39/12/30/944391230.db2.gz ACVCDVDBWJRULF-INIZCTEOSA-N 2 0 293.455 1.875 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH+](C)CC2CCC2)C1 ZINC001265923872 944576602 /nfs/dbraw/zinc/57/66/02/944576602.db2.gz YJGQGNNEXWOAIY-CQSZACIVSA-N 2 0 281.444 1.566 10 0 CDAERP CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001266157949 944722605 /nfs/dbraw/zinc/72/26/05/944722605.db2.gz CZKKEYGRIGKPDB-KBPBESRZSA-N 2 0 269.433 1.611 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC/C=C\C[NH2+]C/C=C/Cl)CC[N@@H+]1C ZINC001568853216 1169520199 /nfs/dbraw/zinc/52/01/99/1169520199.db2.gz CGAYGQBZZWUDLD-IBORRARPSA-N 2 0 299.846 1.731 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@H]1CC[C@@H]([NH2+]CC2CC2)C1 ZINC001479494425 971332636 /nfs/dbraw/zinc/33/26/36/971332636.db2.gz HFIKPJHUOYUOTO-LSDHHAIUSA-N 2 0 279.428 1.367 10 0 CDAERP Cc1cc(NC(=O)NCC2=CC[N@H+](C)CC2)cc(C)n1 ZINC001254178764 947321053 /nfs/dbraw/zinc/32/10/53/947321053.db2.gz ZPVUMPHMEIHCAV-UHFFFAOYSA-N 2 0 274.368 1.504 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001278399259 947559939 /nfs/dbraw/zinc/55/99/39/947559939.db2.gz WBTPKASLAUJCII-HOCLYGCPSA-N 2 0 293.455 1.873 10 0 CDAERP CC/C=C\CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001569002035 1169588956 /nfs/dbraw/zinc/58/89/56/1169588956.db2.gz CLJHJKWQKGRART-JGUVHBTRSA-N 2 0 281.444 1.921 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](NC(=O)CC[NH+]2CC[C@@H](F)C2)C1 ZINC001362625304 971468719 /nfs/dbraw/zinc/46/87/19/971468719.db2.gz FTQSHSGMHHHPHI-ZIAGYGMSSA-N 2 0 285.407 1.409 10 0 CDAERP C[NH+](C)C1(C(=O)N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)CCCC1 ZINC001362710724 971551545 /nfs/dbraw/zinc/55/15/45/971551545.db2.gz CYCDPIQEWNDSPO-HOTGVXAUSA-N 2 0 293.455 1.661 10 0 CDAERP Cc1c(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)ccc2c[nH+]cn21 ZINC001650039433 1169638364 /nfs/dbraw/zinc/63/83/64/1169638364.db2.gz MIGCNYWZMQRHHX-SMDDNHRTSA-N 2 0 272.352 1.465 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)[NH2+]CC1CCCC1)[NH+](C)C ZINC001480487725 971751001 /nfs/dbraw/zinc/75/10/01/971751001.db2.gz YKJGBEDFASUZKU-TZMCWYRMSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001480709141 971844968 /nfs/dbraw/zinc/84/49/68/971844968.db2.gz JGWUOYXIMYSUFE-KGLIPLIRSA-N 2 0 269.433 1.752 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)N2CC([NH+]3CCCC3)C2)CC1 ZINC001363053095 971846481 /nfs/dbraw/zinc/84/64/81/971846481.db2.gz WZONIIKGUVUTMG-UHFFFAOYSA-N 2 0 293.455 1.661 10 0 CDAERP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)CC[NH+]1CC[C@@H](F)C1 ZINC001363611607 953538338 /nfs/dbraw/zinc/53/83/38/953538338.db2.gz RBZQKKMVMLNQCP-HUUCEWRRSA-N 2 0 299.434 1.609 10 0 CDAERP CC1CC[NH+](CC(=O)N[C@H]2C[C@@H]([NH+](C)C)C23CCC3)CC1 ZINC001364190389 954306661 /nfs/dbraw/zinc/30/66/61/954306661.db2.gz DEDRDYSPWVGAQO-LSDHHAIUSA-N 2 0 293.455 1.707 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](C)CC1(C)C)[NH+]1CCCCC1 ZINC001364242552 954371789 /nfs/dbraw/zinc/37/17/89/954371789.db2.gz ZTVLSBVCLLUXIO-CABCVRRESA-N 2 0 295.471 1.953 10 0 CDAERP C[NH+](C)C[C@H]1CCN(C(=O)C2([NH+](C)C)CCCC2)C1 ZINC001296253472 954832665 /nfs/dbraw/zinc/83/26/65/954832665.db2.gz HGFYTZJUBHTCKJ-CYBMUJFWSA-N 2 0 267.417 1.271 10 0 CDAERP O=C(CCCC[NH+]1CCCC1)N1CCN2C[C@@H](F)C[C@H]2C1 ZINC001298331238 955174698 /nfs/dbraw/zinc/17/46/98/955174698.db2.gz FWNKJLSODCACOE-GJZGRUSLSA-N 2 0 297.418 1.507 10 0 CDAERP CC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001328282001 955250925 /nfs/dbraw/zinc/25/09/25/955250925.db2.gz FUITUXZULFFSRO-KGLIPLIRSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)C[NH2+]CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001493550997 972080964 /nfs/dbraw/zinc/08/09/64/972080964.db2.gz SKJDSOBALZLAFM-CQSZACIVSA-N 2 0 267.417 1.032 10 0 CDAERP C[C@@H]([NH2+]CCC1CC1)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001421525988 955390822 /nfs/dbraw/zinc/39/08/22/955390822.db2.gz OTWZUBVZMPKHKE-UKRRQHHQSA-N 2 0 281.444 1.565 10 0 CDAERP O=C(CCCn1ccnc1)N1CC[C@H](C[NH2+]CCF)C1 ZINC001491858957 955471555 /nfs/dbraw/zinc/47/15/55/955471555.db2.gz NHHDQTWTDLXXLM-CYBMUJFWSA-N 2 0 282.363 1.071 10 0 CDAERP CC(C)CC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001421827958 955575519 /nfs/dbraw/zinc/57/55/19/955575519.db2.gz QXMQYOLZHHCSRX-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)C1 ZINC001363359101 972111762 /nfs/dbraw/zinc/11/17/62/972111762.db2.gz VWWYGINTSKWQRG-VYDXJSESSA-N 2 0 293.455 1.661 10 0 CDAERP CN(CC[NH2+]CCC1=CCCCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001493793225 972114465 /nfs/dbraw/zinc/11/44/65/972114465.db2.gz DMNQAIVAVQNWKT-INIZCTEOSA-N 2 0 293.455 1.877 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001365148291 955645703 /nfs/dbraw/zinc/64/57/03/955645703.db2.gz KXXOAOGAQCGFGB-FMKPAKJESA-N 2 0 296.459 1.310 10 0 CDAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1ccsc1 ZINC001422061569 955725463 /nfs/dbraw/zinc/72/54/63/955725463.db2.gz LZXUBXOJVVOEIO-GXTWGEPZSA-N 2 0 295.452 1.636 10 0 CDAERP CC(C)CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001422133026 955764310 /nfs/dbraw/zinc/76/43/10/955764310.db2.gz NYQBFYKUROQHCC-GJZGRUSLSA-N 2 0 283.460 1.715 10 0 CDAERP CC[C@@H](C)C[N@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001422242767 955883900 /nfs/dbraw/zinc/88/39/00/955883900.db2.gz FTSAWYQLJPMRMM-HUUCEWRRSA-N 2 0 283.460 1.907 10 0 CDAERP CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC)[NH+](CC)CC ZINC001493923355 972138770 /nfs/dbraw/zinc/13/87/70/972138770.db2.gz ICXGXOBXWNFWKR-ZNMIVQPWSA-N 2 0 281.444 1.802 10 0 CDAERP CCC(CC)C[N@H+](C)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001422583628 956174176 /nfs/dbraw/zinc/17/41/76/956174176.db2.gz BOJLIJFLQARGOQ-CQSZACIVSA-N 2 0 295.471 1.955 10 0 CDAERP CCCCC[C@H]1CCCC[N@@H+]1CC(=O)N1CC[NH2+]CC1 ZINC001329925653 956183248 /nfs/dbraw/zinc/18/32/48/956183248.db2.gz LJKKZRFZNVUNIW-HNNXBMFYSA-N 2 0 281.444 1.853 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CC[C@H]([NH2+]C/C=C\Cl)C2)CC[N@@H+]1C ZINC001366091775 956557271 /nfs/dbraw/zinc/55/72/71/956557271.db2.gz LRAIJZUORMZRFV-GTNIHLNRSA-N 2 0 299.846 1.660 10 0 CDAERP CC[C@@H](F)C[N@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001494182361 972194499 /nfs/dbraw/zinc/19/44/99/972194499.db2.gz YMCXHTJFNNZTEA-HUUCEWRRSA-N 2 0 299.434 1.611 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC2CCCC2)C1 ZINC001366104415 956564761 /nfs/dbraw/zinc/56/47/61/956564761.db2.gz QRYCEFJYUHPHND-HNNXBMFYSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001423079043 956569163 /nfs/dbraw/zinc/56/91/63/956569163.db2.gz PHPKUPQPCUWURT-AWEZNQCLSA-N 2 0 283.460 1.953 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H](F)CC)C1 ZINC001366111698 956573983 /nfs/dbraw/zinc/57/39/83/956573983.db2.gz IMTMNDALGUREIF-AJNGGQMLSA-N 2 0 299.434 1.846 10 0 CDAERP CC[C@H](F)C[N@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001494182357 972195248 /nfs/dbraw/zinc/19/52/48/972195248.db2.gz YMCXHTJFNNZTEA-CABCVRRESA-N 2 0 299.434 1.611 10 0 CDAERP CC(C)CC[NH2+][C@H](C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001423131709 956614452 /nfs/dbraw/zinc/61/44/52/956614452.db2.gz PELPVJNKIHRVPH-LSDHHAIUSA-N 2 0 283.460 1.811 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001366167624 956615182 /nfs/dbraw/zinc/61/51/82/956615182.db2.gz GJKCYIWNKVIFKQ-RWBPYIHSSA-N 2 0 287.835 1.708 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001366170218 956617718 /nfs/dbraw/zinc/61/77/18/956617718.db2.gz QYPONFHSJHJDIW-SOUVJXGZSA-N 2 0 299.434 1.847 10 0 CDAERP C[N@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)CC1CCCC1 ZINC001316859046 956640965 /nfs/dbraw/zinc/64/09/65/956640965.db2.gz KIPTVUOHTGZFFV-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP C[NH+](C)CCC(=O)NC1CCC([NH2+]C/C=C/Cl)CC1 ZINC001366252738 956673655 /nfs/dbraw/zinc/67/36/55/956673655.db2.gz XKVQMTNVWDZGSH-YCRREMRBSA-N 2 0 287.835 1.708 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCC(F)(F)F ZINC001366265943 956691288 /nfs/dbraw/zinc/69/12/88/956691288.db2.gz HCUREVWTTWJHRN-ZJUUUORDSA-N 2 0 281.322 1.127 10 0 CDAERP CC(C)CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H]1C ZINC001423331231 956725873 /nfs/dbraw/zinc/72/58/73/956725873.db2.gz SOUDCHMYPCCXOW-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]C/C=C\Cl ZINC001366313188 956730806 /nfs/dbraw/zinc/73/08/06/956730806.db2.gz BFKIIEJIKKVPJC-RAUBUVQISA-N 2 0 273.808 1.318 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CC1CCC1 ZINC001366369295 956774942 /nfs/dbraw/zinc/77/49/42/956774942.db2.gz UBOCPDMGIHNRNX-DZGCQCFKSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001423472966 956798866 /nfs/dbraw/zinc/79/88/66/956798866.db2.gz DZSIYRODMMOJRQ-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP Cc1cccc(C[NH2+][C@@H](C)CCNC(=O)CC[NH+](C)C)c1 ZINC001366490715 956870408 /nfs/dbraw/zinc/87/04/08/956870408.db2.gz QKAOOGYOBIIOQJ-HNNXBMFYSA-N 2 0 291.439 1.931 10 0 CDAERP CC(C)(C)CC[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001366704185 957126036 /nfs/dbraw/zinc/12/60/36/957126036.db2.gz SBODUJRASDFQKW-OAHLLOKOSA-N 2 0 295.471 1.957 10 0 CDAERP CC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001317067838 957240514 /nfs/dbraw/zinc/24/05/14/957240514.db2.gz FSAAZRBFSMMDIH-WFVIONGDSA-N 2 0 279.428 1.485 10 0 CDAERP C[C@H]1[C@H]([NH2+]CC2CC2)CCN1C(=O)CCCC[NH+](C)C ZINC001331930679 957343877 /nfs/dbraw/zinc/34/38/77/957343877.db2.gz YGVPHAVQRTXUKJ-DZGCQCFKSA-N 2 0 281.444 1.707 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC2CC2)C1 ZINC001317356315 957436071 /nfs/dbraw/zinc/43/60/71/957436071.db2.gz NDDCVIDRFNAURX-ZIAGYGMSSA-N 2 0 267.417 1.365 10 0 CDAERP CCC[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001317383928 957441842 /nfs/dbraw/zinc/44/18/42/957441842.db2.gz IWDHHZNCJKSVPI-CQSZACIVSA-N 2 0 269.433 1.659 10 0 CDAERP C[C@@H](F)CC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001425302864 957510177 /nfs/dbraw/zinc/51/01/77/957510177.db2.gz GMEYSCQILGDGLO-OLZOCXBDSA-N 2 0 287.423 1.513 10 0 CDAERP CN(CC[NH2+]CC[C@@H]1CCCO1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001317600682 957592430 /nfs/dbraw/zinc/59/24/30/957592430.db2.gz MCKSASDNYCMYHV-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CCCF)[C@H]1C ZINC001425938750 957647111 /nfs/dbraw/zinc/64/71/11/957647111.db2.gz NFPLDUNCFVHASL-KBPBESRZSA-N 2 0 287.423 1.655 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCF)C(C)(C)C ZINC001332769973 957826601 /nfs/dbraw/zinc/82/66/01/957826601.db2.gz BFOXHQCZXQTASI-NWDGAFQWSA-N 2 0 273.396 1.171 10 0 CDAERP CC(C)C[NH2+]C[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001367243231 957873329 /nfs/dbraw/zinc/87/33/29/957873329.db2.gz QLZFXINPYZFION-ZFWWWQNUSA-N 2 0 281.444 1.326 10 0 CDAERP CC[C@@H](C)C[NH+]1CC(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001318176867 957954659 /nfs/dbraw/zinc/95/46/59/957954659.db2.gz RQSOMQHZTHUKTB-CYBMUJFWSA-N 2 0 269.433 1.421 10 0 CDAERP CC[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CCCF ZINC001318531704 958162027 /nfs/dbraw/zinc/16/20/27/958162027.db2.gz WPMCNEAUBBCHCN-GFCCVEGCSA-N 2 0 273.396 1.315 10 0 CDAERP C[C@H](C[NH2+]Cc1cccc(F)c1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001367663989 958190531 /nfs/dbraw/zinc/19/05/31/958190531.db2.gz UAOMSNOUHIGJLU-DOMZBBRYSA-N 2 0 293.386 1.514 10 0 CDAERP CC[C@H](C(=O)NC1CCC([NH2+]CC(C)C)CC1)[NH+](C)C ZINC001371077850 972348628 /nfs/dbraw/zinc/34/86/28/972348628.db2.gz YNYNJMJAZOGOLZ-YMAMQOFZSA-N 2 0 283.460 2.000 10 0 CDAERP C[C@H](C[NH2+]CCC(C)(C)C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001319435388 958558275 /nfs/dbraw/zinc/55/82/75/958558275.db2.gz CDSSZLMKTACEKO-ZIAGYGMSSA-N 2 0 283.460 1.953 10 0 CDAERP COCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001319486798 958590390 /nfs/dbraw/zinc/59/03/90/958590390.db2.gz RQOVAYOQXGJFNY-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@@H](C[NH2+]CC1=CCCCC1)N(C)C(=O)Cc1cnc[nH]1 ZINC001319538216 958616155 /nfs/dbraw/zinc/61/61/55/958616155.db2.gz PTWOHXUGVZKTEA-ZDUSSCGKSA-N 2 0 290.411 1.889 10 0 CDAERP CO[C@@H](C)C[NH+]1CCC(C)(CNC(=O)CC[NH+](C)C)CC1 ZINC001368214700 958708320 /nfs/dbraw/zinc/70/83/20/958708320.db2.gz XMADCXAJSQVBIH-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001368545357 958950369 /nfs/dbraw/zinc/95/03/69/958950369.db2.gz CKRXZBJAXXLNRH-GJZGRUSLSA-N 2 0 281.444 1.804 10 0 CDAERP CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001368782257 959124913 /nfs/dbraw/zinc/12/49/13/959124913.db2.gz ZGBGKTJVBLUJEV-NVXWUHKLSA-N 2 0 289.423 1.718 10 0 CDAERP C[N@H+](CC(=O)N[C@H]1C[C@H](C[NH2+]CC2CC2)C1)CC(C)(C)C ZINC001369173849 959504594 /nfs/dbraw/zinc/50/45/94/959504594.db2.gz MPTVEXNTIIYLMG-SHTZXODSSA-N 2 0 295.471 1.859 10 0 CDAERP CC[C@H](C[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)OC ZINC001321067526 959571434 /nfs/dbraw/zinc/57/14/34/959571434.db2.gz WUITXPAMUDBVCX-XQIWKARSSA-N 2 0 297.443 1.014 10 0 CDAERP CC[C@H](C(=O)NC/C=C\C[NH2+]C[C@H]1CCCOC1)[NH+](C)C ZINC001321107896 959598659 /nfs/dbraw/zinc/59/86/59/959598659.db2.gz BZOOHDBRVKBAQC-JBZXTQMFSA-N 2 0 297.443 1.015 10 0 CDAERP COCC[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001321282410 959697219 /nfs/dbraw/zinc/69/72/19/959697219.db2.gz WIJHXEGFBOHGFZ-LLYBFZRZSA-N 2 0 297.443 1.158 10 0 CDAERP CC[NH2+]C/C=C\CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001321335050 959729029 /nfs/dbraw/zinc/72/90/29/959729029.db2.gz IYYGLPWCCYNZSG-ARJAWSKDSA-N 2 0 279.428 1.390 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001321617538 959874710 /nfs/dbraw/zinc/87/47/10/959874710.db2.gz NLKAHCNBIJJYPG-UPJWGTAASA-N 2 0 273.396 1.313 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001322182711 960124441 /nfs/dbraw/zinc/12/44/41/960124441.db2.gz IBIROEAYKRKZPA-CABCVRRESA-N 2 0 283.460 1.975 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001370640002 960171000 /nfs/dbraw/zinc/17/10/00/960171000.db2.gz FOZCUJNSYIKOMU-ARLBYUKCSA-N 2 0 293.455 1.611 10 0 CDAERP CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001495395810 972487247 /nfs/dbraw/zinc/48/72/47/972487247.db2.gz IICDJDSKZZXUSZ-KBPBESRZSA-N 2 0 267.417 1.176 10 0 CDAERP CC[NH2+][C@H](C)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001371366027 972490141 /nfs/dbraw/zinc/49/01/41/972490141.db2.gz UHMPZJUGTVYKHD-RISCZKNCSA-N 2 0 273.396 1.313 10 0 CDAERP CC[NH2+]CCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001322565490 960261231 /nfs/dbraw/zinc/26/12/31/960261231.db2.gz FFKGWHLTYIBIBT-KGLIPLIRSA-N 2 0 267.417 1.461 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N[C@@H](C[NH2+]C/C=C\Cl)C2CC2)C1 ZINC001323092586 960445760 /nfs/dbraw/zinc/44/57/60/960445760.db2.gz APEXWGUWTMETCX-IIQFCBPVSA-N 2 0 299.846 1.565 10 0 CDAERP CC(C)[C@H](C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1)[NH+]1CCCC1 ZINC001418697653 960917885 /nfs/dbraw/zinc/91/78/85/960917885.db2.gz JNBNNESDBSPEBP-HZPDHXFCSA-N 2 0 295.471 1.953 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CC[C@@H](C)F)C1 ZINC001418959445 961193214 /nfs/dbraw/zinc/19/32/14/961193214.db2.gz VIBYZRDAEJROKI-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)[NH+]1CCCC1 ZINC001419189085 961488340 /nfs/dbraw/zinc/48/83/40/961488340.db2.gz JTAQSOOGBNMJDD-JKSUJKDBSA-N 2 0 293.455 1.707 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001419426326 961689812 /nfs/dbraw/zinc/68/98/12/961689812.db2.gz KQARSNAXCRQOLO-XJFOESAGSA-N 2 0 285.407 1.313 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001419606728 961864246 /nfs/dbraw/zinc/86/42/46/961864246.db2.gz JGIBVCGIWZGRLH-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@@H](C[NH2+]CC1CCC1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001419731762 962049847 /nfs/dbraw/zinc/04/98/47/962049847.db2.gz DLUBAPRVFLNMPY-ZDUSSCGKSA-N 2 0 279.428 1.319 10 0 CDAERP CC[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001419752333 962067874 /nfs/dbraw/zinc/06/78/74/962067874.db2.gz UCEMHSOHYFPHTL-KBPBESRZSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001436364137 962213162 /nfs/dbraw/zinc/21/31/62/962213162.db2.gz ADDKSNNJNSEPCE-OWCLPIDISA-N 2 0 295.471 2.000 10 0 CDAERP CC[C@H](C[NH2+][C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1)OC ZINC001436949753 962520150 /nfs/dbraw/zinc/52/01/50/962520150.db2.gz CTJRMIPHIMUJRT-HZSPNIEDSA-N 2 0 297.443 1.133 10 0 CDAERP CC[NH2+]C1CCC(NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001437088843 962597056 /nfs/dbraw/zinc/59/70/56/962597056.db2.gz KSXOAPHYPRVETC-NRXISQOPSA-N 2 0 281.444 1.898 10 0 CDAERP C[C@H](C[NH2+]Cc1ccsc1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001420292094 962692999 /nfs/dbraw/zinc/69/29/99/962692999.db2.gz MFZAOBVJSRUZCG-YRGRVCCFSA-N 2 0 295.452 1.683 10 0 CDAERP CC[C@@H](C(=O)NCC[N@H+](C)CC[C@@H]1CCCCO1)[NH+](C)C ZINC001420297756 962702255 /nfs/dbraw/zinc/70/22/55/962702255.db2.gz HEKBUVMWLYUTPL-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001420948346 963380304 /nfs/dbraw/zinc/38/03/04/963380304.db2.gz KBSDQPJRVPHKAS-HUUCEWRRSA-N 2 0 281.444 1.374 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H](C)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001438668211 963519049 /nfs/dbraw/zinc/51/90/49/963519049.db2.gz XZLIJDOLYQMCMU-UONOGXRCSA-N 2 0 299.434 1.799 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]C[C@H]1CCCCO1 ZINC001438716852 963532425 /nfs/dbraw/zinc/53/24/25/963532425.db2.gz UMTSGFZOQOHLBV-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP C[C@@H](C[NH2+]CC1CC(C)(C)C1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001438722323 963533423 /nfs/dbraw/zinc/53/34/23/963533423.db2.gz LYUVMHBRJFBPCN-DZGCQCFKSA-N 2 0 295.471 1.811 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)[C@H]1CC[NH+](CCC(C)C)C1 ZINC001421342869 963562323 /nfs/dbraw/zinc/56/23/23/963562323.db2.gz FQQKKQYPSKEDFN-HNNXBMFYSA-N 2 0 283.460 1.907 10 0 CDAERP CCC[N@@H+]1CC[C@@H](N(CC)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001421346970 963563096 /nfs/dbraw/zinc/56/30/96/963563096.db2.gz DIYQJUPUJGYPHW-HUUCEWRRSA-N 2 0 281.444 1.661 10 0 CDAERP C[C@H]([NH2+]CC1CCC1)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001438852906 963574540 /nfs/dbraw/zinc/57/45/40/963574540.db2.gz RQHGBFDAKVYOJR-GOEBONIOSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]CC(C)C)C1 ZINC001440135105 963933863 /nfs/dbraw/zinc/93/38/63/963933863.db2.gz JVCMTXLUXGGWSO-GJZGRUSLSA-N 2 0 283.460 1.668 10 0 CDAERP CC(C)[NH2+]CCN(CCO)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001440200448 963943887 /nfs/dbraw/zinc/94/38/87/963943887.db2.gz OWVNGYWXFJCDLY-UHFFFAOYSA-N 2 0 299.459 1.070 10 0 CDAERP CCC[NH2+][C@@H]1CC[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001440407127 964021360 /nfs/dbraw/zinc/02/13/60/964021360.db2.gz BGKUKIWLAIGVOH-RRFJBIMHSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CC1CCC1 ZINC001440492490 964083914 /nfs/dbraw/zinc/08/39/14/964083914.db2.gz WYFLBNTVWMRHGZ-HIFRSBDPSA-N 2 0 293.455 1.850 10 0 CDAERP CC(C)C[NH2+]C1(C)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001440603958 964118320 /nfs/dbraw/zinc/11/83/20/964118320.db2.gz ICKQWSXENHVKJS-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cccnc1 ZINC001440826076 964201564 /nfs/dbraw/zinc/20/15/64/964201564.db2.gz BOSONOFSYVILPN-UONOGXRCSA-N 2 0 292.427 1.406 10 0 CDAERP O=C(CC[N@H+]1CC[C@H](F)C1)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC001441547070 964582370 /nfs/dbraw/zinc/58/23/70/964582370.db2.gz NHQKYESUHORXCH-MELADBBJSA-N 2 0 283.391 1.163 10 0 CDAERP CC[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)CC[C@@H](C)F ZINC001479860153 964863259 /nfs/dbraw/zinc/86/32/59/964863259.db2.gz UJDHQXLSKMZNQV-CQSZACIVSA-N 2 0 299.434 1.659 10 0 CDAERP C[C@H](CCNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CCF ZINC001442338803 964992762 /nfs/dbraw/zinc/99/27/62/964992762.db2.gz BMHRSWSOPJUGQE-OLZOCXBDSA-N 2 0 273.396 1.315 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)CCCF)CC[N@@H+]1C ZINC001442412493 965046072 /nfs/dbraw/zinc/04/60/72/965046072.db2.gz MEINOPAFXXINEV-QWHCGFSZSA-N 2 0 273.396 1.124 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+](CCC(C)C)C1 ZINC001442908899 965274940 /nfs/dbraw/zinc/27/49/40/965274940.db2.gz QVEUHKLGAUZOGZ-OAHLLOKOSA-N 2 0 283.460 1.812 10 0 CDAERP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCCC[NH+]3CCCC3)C[N@@H+]2C1 ZINC001347262949 965444569 /nfs/dbraw/zinc/44/45/69/965444569.db2.gz XKKQCIHNESRLGN-OAGGEKHMSA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)CC[NH+]1CC(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001443481835 965487694 /nfs/dbraw/zinc/48/76/94/965487694.db2.gz MNADMFHTZOJCPN-OAHLLOKOSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCC1CC1 ZINC001443952409 965682303 /nfs/dbraw/zinc/68/23/03/965682303.db2.gz ZJJDAOPRFICBJN-LSDHHAIUSA-N 2 0 281.444 1.755 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)[C@H](C)C[NH2+]CC1CCCC1 ZINC001444706754 965926984 /nfs/dbraw/zinc/92/69/84/965926984.db2.gz LXJFZXUHSAVRIH-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H](C[N@H+](C)CCOC1CCC1)NC(=O)C[NH+]1CCCC1 ZINC001445867685 966372340 /nfs/dbraw/zinc/37/23/40/966372340.db2.gz KKGOWEWGXMTOJS-CQSZACIVSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)CC1 ZINC001446974246 966671483 /nfs/dbraw/zinc/67/14/83/966671483.db2.gz ZKRGZIGDZLTIDU-HUUCEWRRSA-N 2 0 295.471 1.905 10 0 CDAERP CC[C@H](C(=O)N1CCC(C)([NH2+]CCF)CC1)[NH+](C)C ZINC001447543197 966813374 /nfs/dbraw/zinc/81/33/74/966813374.db2.gz JYBIAFLXUCBQLZ-GFCCVEGCSA-N 2 0 273.396 1.267 10 0 CDAERP CC(C)CC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001447543016 966813804 /nfs/dbraw/zinc/81/38/04/966813804.db2.gz SJKVYUGNAGOAFK-LSDHHAIUSA-N 2 0 293.455 1.565 10 0 CDAERP CC1([NH2+]CCF)CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001447564502 966817308 /nfs/dbraw/zinc/81/73/08/966817308.db2.gz JWWSNSLRHDOPIY-INIZCTEOSA-N 2 0 297.418 1.413 10 0 CDAERP Cc1cncc(C[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C)c1 ZINC001448091095 966994747 /nfs/dbraw/zinc/99/47/47/966994747.db2.gz UGJRMODWWPQUGX-AWEZNQCLSA-N 2 0 292.427 1.278 10 0 CDAERP CC(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001448446978 967115268 /nfs/dbraw/zinc/11/52/68/967115268.db2.gz IQPARPYMJWTMBZ-QKDCVEJESA-N 2 0 279.428 1.032 10 0 CDAERP CC[NH2+][C@@H](C)CN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001448732754 967225624 /nfs/dbraw/zinc/22/56/24/967225624.db2.gz ZISYLQVVJDSEFD-SWLSCSKDSA-N 2 0 287.423 1.655 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C2([NH+](C)C)CCCC2)C1 ZINC001300038680 967319958 /nfs/dbraw/zinc/31/99/58/967319958.db2.gz KPXRNNOGNGQCKE-BETUJISGSA-N 2 0 267.417 1.317 10 0 CDAERP C[NH+](C)[C@@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCCC2)C12CCC2 ZINC001454174412 968440220 /nfs/dbraw/zinc/44/02/20/968440220.db2.gz XKLYIZMTTMLJPS-ZIAGYGMSSA-N 2 0 293.455 1.850 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC001455420543 968707214 /nfs/dbraw/zinc/70/72/14/968707214.db2.gz UAEODZSANIFWNM-HZSPNIEDSA-N 2 0 267.417 1.269 10 0 CDAERP C[NH+](C)CCN(C(=O)CC[N@@H+]1CC[C@@H](F)C1)C1CCCC1 ZINC001464868545 969827207 /nfs/dbraw/zinc/82/72/07/969827207.db2.gz MNYRNXIGAHGAMW-CQSZACIVSA-N 2 0 299.434 1.753 10 0 CDAERP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001466146614 969928206 /nfs/dbraw/zinc/92/82/06/969928206.db2.gz QONULPIEPOCPEH-ZFWWWQNUSA-N 2 0 299.434 1.609 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)C1 ZINC001468343551 970153464 /nfs/dbraw/zinc/15/34/64/970153464.db2.gz OQCIYAFGUMIWGH-LXTVHRRPSA-N 2 0 279.428 1.269 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)CC[N@@H+]2CC[C@H](F)C2)CC1 ZINC001361603741 970330170 /nfs/dbraw/zinc/33/01/70/970330170.db2.gz YALCCSAGMQNCDA-ZDUSSCGKSA-N 2 0 285.407 1.409 10 0 CDAERP C[C@H](CNC(=O)CC[N@@H+]1CC[C@@H](F)C1)[NH+]1CCCC[C@H]1C ZINC001361652960 970385002 /nfs/dbraw/zinc/38/50/02/970385002.db2.gz YLVREFGNHJHEMJ-RBSFLKMASA-N 2 0 299.434 1.799 10 0 CDAERP C[N@@H+]1CCCN(C(=O)c2ccc(C[NH+]3CCCC3)o2)CC1 ZINC001361701290 970439931 /nfs/dbraw/zinc/43/99/31/970439931.db2.gz MLYFTANAUVZQGK-UHFFFAOYSA-N 2 0 291.395 1.653 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001361755975 970495979 /nfs/dbraw/zinc/49/59/79/970495979.db2.gz ZGGCYYWTYUOCLC-RRFJBIMHSA-N 2 0 281.444 1.659 10 0 CDAERP CC(C)(C(=O)N1CC2(C1)CC[N@H+](CCF)C2)[NH+]1CCCC1 ZINC001415234584 972582685 /nfs/dbraw/zinc/58/26/85/972582685.db2.gz SDVCQMCRJCZNBS-UHFFFAOYSA-N 2 0 297.418 1.365 10 0 CDAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CCF ZINC001495753489 972622815 /nfs/dbraw/zinc/62/28/15/972622815.db2.gz NTSKIFXITPGFAU-KGLIPLIRSA-N 2 0 287.423 1.561 10 0 CDAERP CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001496277244 972870660 /nfs/dbraw/zinc/87/06/60/972870660.db2.gz XHUGMCZVAWZPIN-QWHCGFSZSA-N 2 0 257.422 1.467 10 0 CDAERP CC[NH2+]C[C@H](CC(C)C)NC(=O)COC1CC[NH+](C)CC1 ZINC001496294080 972875338 /nfs/dbraw/zinc/87/53/38/972875338.db2.gz DHILHUPZAVXBBJ-AWEZNQCLSA-N 2 0 299.459 1.238 10 0 CDAERP CCC[N@@H+](C/C=C/Cl)CCNC(=O)C[NH+]1CCCC1 ZINC001372746010 973106471 /nfs/dbraw/zinc/10/64/71/973106471.db2.gz HHBMDBUMOIKWIA-AATRIKPKSA-N 2 0 287.835 1.663 10 0 CDAERP CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001497207377 973244773 /nfs/dbraw/zinc/24/47/73/973244773.db2.gz YAXSVXMEIXKFBB-DZGCQCFKSA-N 2 0 281.444 1.898 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]CC1CC1 ZINC001497334117 973291147 /nfs/dbraw/zinc/29/11/47/973291147.db2.gz WSJWYMJDWPSLNK-UKRRQHHQSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@@H](C(=O)N(CC)CC[NH2+]Cc1conc1C)[NH+](C)C ZINC001497487294 973367693 /nfs/dbraw/zinc/36/76/93/973367693.db2.gz XHFUWDKOCPMVAJ-AWEZNQCLSA-N 2 0 296.415 1.261 10 0 CDAERP CC(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001417812705 973397815 /nfs/dbraw/zinc/39/78/15/973397815.db2.gz LBGBKWILPKRYFD-HRCADAONSA-N 2 0 295.471 1.859 10 0 CDAERP CN(C(=O)CC[NH+](C)C)C1CC[NH+](CCC2CC2)CC1 ZINC001417895806 973462694 /nfs/dbraw/zinc/46/26/94/973462694.db2.gz DUMMLVKVAXHVML-UHFFFAOYSA-N 2 0 281.444 1.661 10 0 CDAERP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)C[NH+]2CCCC2)cc1 ZINC001497983865 973598986 /nfs/dbraw/zinc/59/89/86/973598986.db2.gz OZMDRSPZYFABTQ-OAHLLOKOSA-N 2 0 289.423 1.685 10 0 CDAERP CCC(CC)C[NH2+][C@H](CC)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001373832060 973660313 /nfs/dbraw/zinc/66/03/13/973660313.db2.gz OQRBNVKXYQSHAI-LSDHHAIUSA-N 2 0 283.460 1.859 10 0 CDAERP CCC(CC)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001373832053 973660516 /nfs/dbraw/zinc/66/05/16/973660516.db2.gz OQRBNVKXYQSHAI-HUUCEWRRSA-N 2 0 283.460 1.859 10 0 CDAERP CC[C@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)[NH2+]C(C)C ZINC001373833621 973660681 /nfs/dbraw/zinc/66/06/81/973660681.db2.gz GQTWAWNURMTHFN-CABCVRRESA-N 2 0 283.460 2.000 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H]1CCCN1C(=O)CC[N@H+](C)CC ZINC001373967894 973707400 /nfs/dbraw/zinc/70/74/00/973707400.db2.gz BTXFKGDRVRQYLP-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)C[C@H]1CCO[C@H](C)C1 ZINC001418528841 973929849 /nfs/dbraw/zinc/92/98/49/973929849.db2.gz WSOATCUQOKRJRU-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001418525967 973930759 /nfs/dbraw/zinc/93/07/59/973930759.db2.gz AVMRQSUDFPKSDD-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP CC[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)CCC(C)C ZINC001418570102 973977242 /nfs/dbraw/zinc/97/72/42/973977242.db2.gz HAKYDLRXOFQICO-OAHLLOKOSA-N 2 0 283.460 1.812 10 0 CDAERP COCCCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001498944129 974124711 /nfs/dbraw/zinc/12/47/11/974124711.db2.gz MPUXHACPOXZNDI-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CCF)C1CCCC1 ZINC001500097349 974373144 /nfs/dbraw/zinc/37/31/44/974373144.db2.gz SZLXHRGQQWMYDD-GJZGRUSLSA-N 2 0 299.434 1.705 10 0 CDAERP CN(C[C@@H]1CC[N@@H+]1C[C@H]1CCCCO1)C(=O)CC[NH+](C)C ZINC001375463705 974393615 /nfs/dbraw/zinc/39/36/15/974393615.db2.gz AQXZQGAELIMHCV-LSDHHAIUSA-N 2 0 297.443 1.040 10 0 CDAERP CC(C)[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001375507937 974407982 /nfs/dbraw/zinc/40/79/82/974407982.db2.gz ZBINTEBILBNCTE-KBPBESRZSA-N 2 0 279.428 1.650 10 0 CDAERP CC[C@H](C(=O)N[C@]1(C)CC[N@H+](CCOC)C1)[NH+](CC)CC ZINC001500258407 974411645 /nfs/dbraw/zinc/41/16/45/974411645.db2.gz SIOGDFGKABZQSD-GDBMZVCRSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@H](O)C[NH2+][C@@H]1CCCCCN(C(=O)CCC[NH+](C)C)C1 ZINC001375648808 974444587 /nfs/dbraw/zinc/44/45/87/974444587.db2.gz KRZXXBOZXYEZBR-LSDHHAIUSA-N 2 0 299.459 1.070 10 0 CDAERP C[C@@H]([NH2+]CCF)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001501084035 974529986 /nfs/dbraw/zinc/52/99/86/974529986.db2.gz OZVXUBZOEKBKDB-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001376022030 974536522 /nfs/dbraw/zinc/53/65/22/974536522.db2.gz NFYCAAVERYFNQB-GJZGRUSLSA-N 2 0 281.444 1.851 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1CC12CC[NH+](CC)CC2 ZINC001376180002 974592860 /nfs/dbraw/zinc/59/28/60/974592860.db2.gz VKWORYJCWSYPMC-ZIAGYGMSSA-N 2 0 299.434 1.657 10 0 CDAERP COC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001376460219 974668322 /nfs/dbraw/zinc/66/83/22/974668322.db2.gz FQWMWJYLEIYIFC-XQLPTFJDSA-N 2 0 297.443 1.133 10 0 CDAERP Cc1cc(C[NH2+]C2(CNC(=O)CC[NH+](C)C)CCC2)on1 ZINC001501996009 974670636 /nfs/dbraw/zinc/67/06/36/974670636.db2.gz RPFRFKLYDGGDBE-UHFFFAOYSA-N 2 0 294.399 1.063 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CCC[NH+](CCF)C1 ZINC001376511266 974678051 /nfs/dbraw/zinc/67/80/51/974678051.db2.gz PSHJWTIEUXZPTP-GJZGRUSLSA-N 2 0 299.434 1.659 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCC[NH+](CCF)C2)C1 ZINC001376538271 974684296 /nfs/dbraw/zinc/68/42/96/974684296.db2.gz GNUCIJYCXPSLSM-ZIAGYGMSSA-N 2 0 285.407 1.126 10 0 CDAERP C[NH+](C)CCCC(=O)N1CC2(C1)CC[NH+](CC1CC1)CC2 ZINC001376627279 974700330 /nfs/dbraw/zinc/70/03/30/974700330.db2.gz TUIBAEXZLFDROW-UHFFFAOYSA-N 2 0 293.455 1.663 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCC(C)([NH2+]CCF)CC2)C1 ZINC001502805885 974787427 /nfs/dbraw/zinc/78/74/27/974787427.db2.gz YUKBQLWQJJHIGZ-ZDUSSCGKSA-N 2 0 285.407 1.268 10 0 CDAERP C[C@H](F)CC[NH2+]C1(C)CCN(C(=O)Cn2ccnc2)CC1 ZINC001502811584 974788085 /nfs/dbraw/zinc/78/80/85/974788085.db2.gz YJDPLZPWWNJIMW-ZDUSSCGKSA-N 2 0 296.390 1.602 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001376940773 974825177 /nfs/dbraw/zinc/82/51/77/974825177.db2.gz LRJPETHOPFXTPR-HIFRSBDPSA-N 2 0 299.434 1.514 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H]([N@H+](C)C/C=C\Cl)C1 ZINC001376981719 974837873 /nfs/dbraw/zinc/83/78/73/974837873.db2.gz RNIBGHRTQJUVEP-DMTLFAOVSA-N 2 0 287.835 1.613 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+](CCC2CC2)C1 ZINC001377467176 975039003 /nfs/dbraw/zinc/03/90/03/975039003.db2.gz XOWUUKNIBPKAJX-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)[N@H+](C)[C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001505943640 975052973 /nfs/dbraw/zinc/05/29/73/975052973.db2.gz LKIAEZWXNFTEJG-AWEZNQCLSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001505945892 975055460 /nfs/dbraw/zinc/05/54/60/975055460.db2.gz IMBYECGVTGPUEI-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP Cc1nocc1C[NH2+][C@@H](C)CCNC(=O)C[NH+]1CCCC1 ZINC001377522312 975063590 /nfs/dbraw/zinc/06/35/90/975063590.db2.gz CVNAZKMFLNSMPH-LBPRGKRZSA-N 2 0 294.399 1.063 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)[NH+](C)CCOC)C1 ZINC001505986042 975073728 /nfs/dbraw/zinc/07/37/28/975073728.db2.gz ODYNSQJEOYSUBK-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)N(C)C/C=C/Cl ZINC001505994759 975075409 /nfs/dbraw/zinc/07/54/09/975075409.db2.gz KEYRYTLTKDMUEI-ZRQQLDRUSA-N 2 0 261.797 1.127 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001377844454 975154534 /nfs/dbraw/zinc/15/45/34/975154534.db2.gz WUZQHZIHQQSTNO-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@@H](CNC(=O)Cc1ncc[nH]1)[N@H+](C)CCC(C)(C)C ZINC001378163559 975266315 /nfs/dbraw/zinc/26/63/15/975266315.db2.gz LZYUYKVMXZYEKI-LBPRGKRZSA-N 2 0 280.416 1.825 10 0 CDAERP CCOCC[NH2+][C@@H](C)CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001507133963 975349202 /nfs/dbraw/zinc/34/92/02/975349202.db2.gz DDFKQGOLVIQIER-HNNXBMFYSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]C/C=C\Cl ZINC001507156592 975357624 /nfs/dbraw/zinc/35/76/24/975357624.db2.gz ZFIDEBYKSLXXEN-FJOGCWAESA-N 2 0 273.808 1.271 10 0 CDAERP CCCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001507155694 975357910 /nfs/dbraw/zinc/35/79/10/975357910.db2.gz SUNWDXKNVSTTPX-OLZOCXBDSA-N 2 0 255.406 1.175 10 0 CDAERP CC[C@H](C(=O)NC[C@H]1C[N@H+](CCC(C)C)CCO1)[NH+](C)C ZINC001378664065 975435267 /nfs/dbraw/zinc/43/52/67/975435267.db2.gz VJGJKJHYFYSFBC-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccccn1)[NH+](C)C ZINC001401228017 975530856 /nfs/dbraw/zinc/53/08/56/975530856.db2.gz HPLPCNZIXGUGEB-UKRRQHHQSA-N 2 0 292.427 1.358 10 0 CDAERP CC[C@H](C)C[NH+]1CC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001404923043 975544677 /nfs/dbraw/zinc/54/46/77/975544677.db2.gz PJIBMUCSRNCJQA-KBPBESRZSA-N 2 0 281.444 1.422 10 0 CDAERP CO[C@@H](C)C[N@H+](C)C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001378931887 975549522 /nfs/dbraw/zinc/54/95/22/975549522.db2.gz IINCNOIEDWKBNW-AWEZNQCLSA-N 2 0 299.459 1.284 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@H](CNC(=O)CCc2c[nH]cn2)C1 ZINC001388720189 975567893 /nfs/dbraw/zinc/56/78/93/975567893.db2.gz QRJBSYNCXFGNFD-CTYIDZIISA-N 2 0 292.427 1.873 10 0 CDAERP O=C(C[NH+]1CCCC1)NCC1=CC[N@H+](CC2CCC2)CC1 ZINC001508228987 975646449 /nfs/dbraw/zinc/64/64/49/975646449.db2.gz ITPPRAOONNHEOD-UHFFFAOYSA-N 2 0 291.439 1.631 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CCC2CC2)[C@@H]1C)[NH+](C)C ZINC001397799466 975724594 /nfs/dbraw/zinc/72/45/94/975724594.db2.gz AZEAKOJGNGGMSO-VNQPRFMTSA-N 2 0 295.471 1.952 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001398327561 975943456 /nfs/dbraw/zinc/94/34/56/975943456.db2.gz GPVMLXYGUDDQLJ-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001398343533 975950959 /nfs/dbraw/zinc/95/09/59/975950959.db2.gz WGQSBWPLEVSHSK-HUUCEWRRSA-N 2 0 283.460 1.809 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]([NH2+]CCF)C1CC1 ZINC001398400919 975974057 /nfs/dbraw/zinc/97/40/57/975974057.db2.gz PONRLJGAXQBKFH-KGLIPLIRSA-N 2 0 285.407 1.315 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001398508287 976011530 /nfs/dbraw/zinc/01/15/30/976011530.db2.gz UIFSRFKHSPPBQW-RDBSUJKOSA-N 2 0 287.423 1.511 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001401930133 976018737 /nfs/dbraw/zinc/01/87/37/976018737.db2.gz QFSKNFPYQHTZIL-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C1)[NH+](C)C ZINC001390001177 976082328 /nfs/dbraw/zinc/08/23/28/976082328.db2.gz SJODNUOTLPDUMM-ZNMIVQPWSA-N 2 0 295.471 2.000 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001398747268 976136996 /nfs/dbraw/zinc/13/69/96/976136996.db2.gz UECRONRRVNWSTA-CABCVRRESA-N 2 0 283.460 1.812 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC1CCC([NH2+]CCF)CC1 ZINC001398840398 976169516 /nfs/dbraw/zinc/16/95/16/976169516.db2.gz SLDYEQRQRLXFNE-NRXISQOPSA-N 2 0 299.434 1.847 10 0 CDAERP COC[C@H](C)[N@H+](C)CCN(C(=O)C[NH+]1CCCC1)C(C)C ZINC001380044082 976207938 /nfs/dbraw/zinc/20/79/38/976207938.db2.gz ZEUKNVUWMGEFIW-HNNXBMFYSA-N 2 0 299.459 1.286 10 0 CDAERP CC(C)[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001402403455 976270737 /nfs/dbraw/zinc/27/07/37/976270737.db2.gz CXZXVGFECMBOLJ-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP Cc1cc(C[NH2+]C2CC(N(C)C(=O)CC[NH+](C)C)C2)on1 ZINC001380168428 976275017 /nfs/dbraw/zinc/27/50/17/976275017.db2.gz VTQUYZNXYHXYNO-UHFFFAOYSA-N 2 0 294.399 1.014 10 0 CDAERP CC[C@H](C(=O)N(C)C1C[NH+](CC2CCCC2)C1)[NH+](C)C ZINC001380252610 976315994 /nfs/dbraw/zinc/31/59/94/976315994.db2.gz UFAUTNFJAYROQC-OAHLLOKOSA-N 2 0 281.444 1.659 10 0 CDAERP CC[C@H](C)C[N@H+](C)C[C@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001406641542 976324383 /nfs/dbraw/zinc/32/43/83/976324383.db2.gz XTJMQYCHYROAHU-KBPBESRZSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CCC(C)(C)C ZINC001390487583 976326148 /nfs/dbraw/zinc/32/61/48/976326148.db2.gz XTOVHQJTFCCVNI-ZIAGYGMSSA-N 2 0 283.460 1.859 10 0 CDAERP Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)cc1 ZINC001402514303 976330260 /nfs/dbraw/zinc/33/02/60/976330260.db2.gz WBQBMAAQOQDDCE-WKILWMFISA-N 2 0 289.423 1.684 10 0 CDAERP CC(C)C[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C1CCCC1 ZINC001380323620 976348381 /nfs/dbraw/zinc/34/83/81/976348381.db2.gz MZWKPTSKSHRROF-OAHLLOKOSA-N 2 0 283.460 1.859 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001399241016 976392916 /nfs/dbraw/zinc/39/29/16/976392916.db2.gz LHERIBSXXFZZSY-QWHCGFSZSA-N 2 0 273.396 1.124 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CC[NH+]2CCC2CC2)C1 ZINC001406883586 976447246 /nfs/dbraw/zinc/44/72/46/976447246.db2.gz VCPNLPBHBGUXQU-LSDHHAIUSA-N 2 0 279.428 1.319 10 0 CDAERP COC[C@@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001402760249 976468964 /nfs/dbraw/zinc/46/89/64/976468964.db2.gz WXSREDMAKSTHQT-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)(C(=O)NCC1([NH2+]C/C=C/Cl)CC1)[NH+]1CCCC1 ZINC001406954451 976489339 /nfs/dbraw/zinc/48/93/39/976489339.db2.gz NZOVTUYBEJJDSB-VMPITWQZSA-N 2 0 299.846 1.852 10 0 CDAERP O=C(NCC1([NH2+]CC2CCC2)CC1)C12CC[NH+](CC1)C2 ZINC001406990635 976505308 /nfs/dbraw/zinc/50/53/08/976505308.db2.gz URAHGWYRLTXRCQ-UHFFFAOYSA-N 2 0 277.412 1.121 10 0 CDAERP CC(C)[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001380677039 976512366 /nfs/dbraw/zinc/51/23/66/976512366.db2.gz BCBCSBHRUPCKGP-KBPBESRZSA-N 2 0 281.444 1.421 10 0 CDAERP C[NH+](C)CCCC(=O)NCC[N@H+](C)CC1CC(C)(C)C1 ZINC001390806500 976524678 /nfs/dbraw/zinc/52/46/78/976524678.db2.gz DVGYFACYRWXBNL-UHFFFAOYSA-N 2 0 283.460 1.812 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCC[NH+](C)CCCF)CC[N@@H+]1C ZINC001399567697 976571553 /nfs/dbraw/zinc/57/15/53/976571553.db2.gz GOPGUNOBYCILQG-STQMWFEESA-N 2 0 273.396 1.124 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC[N@H+](C)CCCF)C1 ZINC001399639088 976614834 /nfs/dbraw/zinc/61/48/34/976614834.db2.gz IQHNMNYFGSYJOX-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP Cc1ncsc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001403026493 976667957 /nfs/dbraw/zinc/66/79/57/976667957.db2.gz ABACIYXDWJQCEL-WDEREUQCSA-N 2 0 298.456 1.386 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(F)cc1 ZINC001403057186 976685375 /nfs/dbraw/zinc/68/53/75/976685375.db2.gz YOJMQDOZQSLNRW-LBPRGKRZSA-N 2 0 281.375 1.372 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CCF)CC1(C)C)[NH+](C)C ZINC001381139199 976687417 /nfs/dbraw/zinc/68/74/17/976687417.db2.gz HWWNWAHOZDUOKY-OLZOCXBDSA-N 2 0 287.423 1.513 10 0 CDAERP CC[C@H](C(=O)NC[C@H]1CC[N@H+](CCCF)C1)[NH+](C)C ZINC001391105048 976693797 /nfs/dbraw/zinc/69/37/97/976693797.db2.gz LBZSQSILQBHDOL-CHWSQXEVSA-N 2 0 273.396 1.124 10 0 CDAERP C[N@H+](CCC1CC1)C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001381318968 976759255 /nfs/dbraw/zinc/75/92/55/976759255.db2.gz OPDHTKJTWZMNJY-INIZCTEOSA-N 2 0 293.455 1.805 10 0 CDAERP C[N@H+](CCCF)C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001381327167 976761069 /nfs/dbraw/zinc/76/10/69/976761069.db2.gz XTFNIZKYOXSXPV-AWEZNQCLSA-N 2 0 285.407 1.365 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(F)c1 ZINC001403145959 976763435 /nfs/dbraw/zinc/76/34/35/976763435.db2.gz VPRDJNWGYXTJQD-OCCSQVGLSA-N 2 0 293.386 1.372 10 0 CDAERP C[N@H+](CCCF)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001403281355 976853386 /nfs/dbraw/zinc/85/33/86/976853386.db2.gz PRLDDDZEBSHAIM-KBPBESRZSA-N 2 0 285.407 1.363 10 0 CDAERP CC[C@H](C)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001408071873 976899146 /nfs/dbraw/zinc/89/91/46/976899146.db2.gz KUONUDYZROUGTA-RRFJBIMHSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H](F)CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001408118173 976925137 /nfs/dbraw/zinc/92/51/37/976925137.db2.gz LMDBOONHYLUWCK-ZIAGYGMSSA-N 2 0 299.434 1.799 10 0 CDAERP CC[NH2+][C@H](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C(C)C ZINC001403477837 976979324 /nfs/dbraw/zinc/97/93/24/976979324.db2.gz NDUXHDGPPAJXKJ-RRFJBIMHSA-N 2 0 283.460 1.857 10 0 CDAERP CC1CC(C[NH2+]C[C@@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001408302240 976996794 /nfs/dbraw/zinc/99/67/94/976996794.db2.gz ROPLOYJLHKFSRO-GPANFISMSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[NH2+]CCF ZINC001391696852 977051071 /nfs/dbraw/zinc/05/10/71/977051071.db2.gz TXGBLZSRIFIWMI-STQMWFEESA-N 2 0 273.396 1.313 10 0 CDAERP CC[C@@H](CNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH2+]C/C=C/Cl ZINC001391743235 977079079 /nfs/dbraw/zinc/07/90/79/977079079.db2.gz UEJSXOLRWBQYGB-BPFGOOJPSA-N 2 0 299.846 1.709 10 0 CDAERP CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]CC1CCCC1)[NH+](C)C ZINC001382097753 977164784 /nfs/dbraw/zinc/16/47/84/977164784.db2.gz MMEHSBBBYXWATC-DZGCQCFKSA-N 2 0 283.460 1.953 10 0 CDAERP CCN(C(=O)C[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](C(C)C)C1 ZINC001400756643 977172310 /nfs/dbraw/zinc/17/23/10/977172310.db2.gz BVQRATHKEAEMPC-CABCVRRESA-N 2 0 281.444 1.659 10 0 CDAERP CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@H+](C)CCC)C[C@H]21 ZINC001403789383 977193307 /nfs/dbraw/zinc/19/33/07/977193307.db2.gz QDUDLBRSJFZKQM-ARFHVFGLSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]1C[C@@H](C)CC ZINC001404015284 977307241 /nfs/dbraw/zinc/30/72/41/977307241.db2.gz IAEVCEFWHDFVAF-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CN(CC[N@H+](C)CC1CC2(CCC2)C1)C(=O)CC[NH+](C)C ZINC001392301979 977398248 /nfs/dbraw/zinc/39/82/48/977398248.db2.gz BRACLSIENZINQI-UHFFFAOYSA-N 2 0 295.471 1.909 10 0 CDAERP CC[C@H](C(=O)NC[C@]1(O)CC[N@@H+](C(C)C)C1)[NH+](CC)CC ZINC001393282327 977756469 /nfs/dbraw/zinc/75/64/69/977756469.db2.gz XQKVYKKKGYQVNR-GDBMZVCRSA-N 2 0 299.459 1.068 10 0 CDAERP CC(C)C[N@H+](C)CCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001393615730 977865459 /nfs/dbraw/zinc/86/54/59/977865459.db2.gz CURVCMWXQRJTJX-MRXNPFEDSA-N 2 0 295.471 1.765 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1[NH+](CC)CC2 ZINC001394696817 978235305 /nfs/dbraw/zinc/23/53/05/978235305.db2.gz ZIDLFBNFLLJYSL-ZBFHGGJFSA-N 2 0 281.444 1.851 10 0 CDAERP C[C@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)[NH2+]CC1CC1 ZINC001674722676 1173998204 /nfs/dbraw/zinc/99/82/04/1173998204.db2.gz QDZNNWGIFLJQEN-RYUDHWBXSA-N 2 0 267.417 1.221 10 0 CDAERP CN(CC(C)(C)C[NH2+]CCF)C(=O)CCc1c[nH]cn1 ZINC001674835970 1174015575 /nfs/dbraw/zinc/01/55/75/1174015575.db2.gz WFLLEPLWNGBDQD-UHFFFAOYSA-N 2 0 284.379 1.386 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C ZINC001571526342 1170463801 /nfs/dbraw/zinc/46/38/01/1170463801.db2.gz FODLBEOFNAGZAY-CHWSQXEVSA-N 2 0 255.406 1.316 10 0 CDAERP CCCC[N@H+]1CC=C(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001571699964 1170526574 /nfs/dbraw/zinc/52/65/74/1170526574.db2.gz LMGJBTMKMKPDDP-UHFFFAOYSA-N 2 0 279.428 1.631 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NC[C@@H]1CCC[NH+]1C ZINC000623717976 342450341 /nfs/dbraw/zinc/45/03/41/342450341.db2.gz SBGFKVVQUAGODP-KKUMJFAQSA-N 2 0 296.459 1.500 10 0 CDAERP C[NH+](C)CC1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000037826082 282081737 /nfs/dbraw/zinc/08/17/37/282081737.db2.gz QWZWEQFLUUUAAI-PMPSAXMXSA-N 2 0 293.455 1.707 10 0 CDAERP C[NH+](C)C1(CNC(=O)N[C@@H]2CCC[N@H+](C)C2)CCCC1 ZINC000618548182 349479557 /nfs/dbraw/zinc/47/95/57/349479557.db2.gz SSGUYSCMHRRUSW-CYBMUJFWSA-N 2 0 282.432 1.254 10 0 CDAERP CS(=O)(=O)c1ccc(C[NH2+]CCC2(C[NH3+])CC2)cc1 ZINC000650712757 398155691 /nfs/dbraw/zinc/15/56/91/398155691.db2.gz SQWBCNUSDZKPIV-UHFFFAOYSA-N 2 0 282.409 1.309 10 0 CDAERP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1cccc(S(N)(=O)=O)c1 ZINC000650746205 398173691 /nfs/dbraw/zinc/17/36/91/398173691.db2.gz YCCYHZGGHWWSPQ-NSHDSACASA-N 2 0 297.424 1.114 10 0 CDAERP [NH3+]CC1(CC[NH2+][C@H](c2cnn[nH]2)c2ccc(F)cc2)CC1 ZINC000650746383 398173707 /nfs/dbraw/zinc/17/37/07/398173707.db2.gz AUYAHAFUDMPUDK-AWEZNQCLSA-N 2 0 289.358 1.752 10 0 CDAERP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000650746549 398174149 /nfs/dbraw/zinc/17/41/49/398174149.db2.gz FIAGVGQEPQFNSS-LLVKDONJSA-N 2 0 289.379 1.797 10 0 CDAERP C[NH2+]Cc1ccccc1C[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000650720025 398160141 /nfs/dbraw/zinc/16/01/41/398160141.db2.gz CHNQRGXSRIYZSB-KBPBESRZSA-N 3 0 261.413 1.884 10 0 CDAERP COC(=O)c1coc([C@@H](C)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)n1 ZINC000601326169 342553811 /nfs/dbraw/zinc/55/38/11/342553811.db2.gz REOJFYCPLQPMTG-ZETOZRRWSA-N 2 0 293.367 1.583 10 0 CDAERP COC(=O)CC1(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)CC1 ZINC000601333179 342554845 /nfs/dbraw/zinc/55/48/45/342554845.db2.gz BVOAJQMKDBLXEV-STQMWFEESA-N 2 0 266.385 1.404 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(CCOC2CCOCC2)C1 ZINC000625205627 342040597 /nfs/dbraw/zinc/04/05/97/342040597.db2.gz BPUGDDOKYKYPJJ-HNNXBMFYSA-N 2 0 284.444 1.846 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCOC2CCOCC2)C[C@@H]1C ZINC000625214186 342041871 /nfs/dbraw/zinc/04/18/71/342041871.db2.gz ULAMHWIDWMRZNU-GJZGRUSLSA-N 2 0 284.444 1.987 10 0 CDAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C[NH2+]C1CC1 ZINC000237012131 342057430 /nfs/dbraw/zinc/05/74/30/342057430.db2.gz PZBGBYYRLGBKAZ-OAHLLOKOSA-N 2 0 275.396 1.028 10 0 CDAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@]3(C)CCC[NH2+]3)CC[C@H]21 ZINC000167540136 342073796 /nfs/dbraw/zinc/07/37/96/342073796.db2.gz AFRYPWSQULWDFN-UMVBOHGHSA-N 2 0 265.401 1.071 10 0 CDAERP C(SC1CC[NH2+]CC1)c1nc([C@H]2CCC[NH2+]2)no1 ZINC000592357337 342688284 /nfs/dbraw/zinc/68/82/84/342688284.db2.gz XKDDFUZXOBBJNO-SNVBAGLBSA-N 2 0 268.386 1.479 10 0 CDAERP CC(C)OC(=O)CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592478493 342699245 /nfs/dbraw/zinc/69/92/45/342699245.db2.gz FIGZVPKBHYYCBX-KGLIPLIRSA-N 2 0 268.401 1.792 10 0 CDAERP CC1(C)C[NH+](C[C@@H]2CC[C@H](C[NH3+])O2)CC(C)(C)O1 ZINC000226429462 539088219 /nfs/dbraw/zinc/08/82/19/539088219.db2.gz PKTNAMWKXKBKOG-NEPJUHHUSA-N 2 0 256.390 1.382 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1csc(Br)c1 ZINC000629398412 361931356 /nfs/dbraw/zinc/93/13/56/361931356.db2.gz CKBKVVDMMJGKLJ-UHFFFAOYSA-N 2 0 293.230 1.966 10 0 CDAERP [NH3+]CCCOCC[NH2+]C1CCN(c2nccs2)CC1 ZINC000629401034 361939098 /nfs/dbraw/zinc/93/90/98/361939098.db2.gz NKRNXVGSSYUNBY-UHFFFAOYSA-N 2 0 284.429 1.067 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC1CC[NH+](Cc2ccccn2)CC1 ZINC000629405764 361943950 /nfs/dbraw/zinc/94/39/50/361943950.db2.gz FLWJGAXSILPPCV-XJKSGUPXSA-N 2 0 274.412 1.386 10 0 CDAERP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCCSC2)CC1(C)C ZINC000441337520 362001917 /nfs/dbraw/zinc/00/19/17/362001917.db2.gz CYSVTZFEOWVWPN-CYBMUJFWSA-N 2 0 271.474 1.498 10 0 CDAERP CCC[NH+]1CCC(NC[C@@H]2CCC[N@@H+]2CCOC)CC1 ZINC000163263986 539122274 /nfs/dbraw/zinc/12/22/74/539122274.db2.gz FJEGFGNTCYPZBO-INIZCTEOSA-N 2 0 283.460 1.561 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](C)C1 ZINC000594693174 342942621 /nfs/dbraw/zinc/94/26/21/342942621.db2.gz MZQRDFSTJHQENV-ZIAGYGMSSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@H](CC[S@@](C)=O)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000594932455 342975770 /nfs/dbraw/zinc/97/57/70/342975770.db2.gz QEYRCGJZHIRRJK-MPBGBICISA-N 2 0 292.408 1.514 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)CSCCF)CC1 ZINC000595006200 342989393 /nfs/dbraw/zinc/98/93/93/342989393.db2.gz GYYHPYOIBPABFF-ZIAGYGMSSA-N 2 0 291.480 1.693 10 0 CDAERP C[NH+](C)[C@@]1(CN[C@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CCSC1 ZINC000353524768 282230760 /nfs/dbraw/zinc/23/07/60/282230760.db2.gz WWLAXKTVWWHMEV-QKPAOTATSA-N 2 0 297.512 1.886 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@]1(C)COc2ccccc2O1 ZINC000629512467 362123991 /nfs/dbraw/zinc/12/39/91/362123991.db2.gz BAJYLUHUAPYCHD-HUBLWGQQSA-N 2 0 264.369 1.932 10 0 CDAERP O=C(c1ccc2c(c1)C[NH2+]C2)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000645104926 362118885 /nfs/dbraw/zinc/11/88/85/362118885.db2.gz CWOCFCYPYLIKFH-DOTOQJQBSA-N 2 0 299.418 1.894 10 0 CDAERP Nc1nc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2c([nH+]1)CCCC2 ZINC000645127150 362136637 /nfs/dbraw/zinc/13/66/37/362136637.db2.gz HIJBLSZTWJULJR-NWDGAFQWSA-N 2 0 287.411 1.229 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CNc2nc(N)[nH+]c3c2CCCC3)C1 ZINC000645140233 362155879 /nfs/dbraw/zinc/15/58/79/362155879.db2.gz QUICNVYQJZCPGJ-LBPRGKRZSA-N 2 0 289.427 1.332 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)c1cccc(CO)c1 ZINC000629529615 362159077 /nfs/dbraw/zinc/15/90/77/362159077.db2.gz IREBTZDSCJJTIX-GFCCVEGCSA-N 2 0 252.358 1.066 10 0 CDAERP CCOCCC[N@@H+]1CC[C@@H](N[C@@H]2CC[NH2+][C@H]2CC)[C@@H](C)C1 ZINC000629526529 362147393 /nfs/dbraw/zinc/14/73/93/362147393.db2.gz XSVDXICOAYZLON-MWDXBVQZSA-N 2 0 297.487 1.854 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000629528183 362153049 /nfs/dbraw/zinc/15/30/49/362153049.db2.gz RRPBXNQIWWHSIP-BVUBDWEXSA-N 2 0 261.413 1.675 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)COC(C)C)C1 ZINC000572512030 362166721 /nfs/dbraw/zinc/16/67/21/362166721.db2.gz AWMALXZEWVBQGT-JKSUJKDBSA-N 2 0 286.460 1.730 10 0 CDAERP CC[N@H+](C)C[C@@H]1CCN(c2nc(N)[nH+]c3c2CCCC3)C1 ZINC000645181440 362227103 /nfs/dbraw/zinc/22/71/03/362227103.db2.gz FMSVRGBLHFCWAF-LBPRGKRZSA-N 2 0 289.427 1.546 10 0 CDAERP COC(=O)CN1CCC([NH2+]C[C@@H]2CCN2C(C)(C)C)CC1 ZINC000597172122 343466817 /nfs/dbraw/zinc/46/68/17/343466817.db2.gz BBTSKMFQPZYQLL-AWEZNQCLSA-N 2 0 297.443 1.086 10 0 CDAERP CSC[C@@](C)(O)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000598966680 343930939 /nfs/dbraw/zinc/93/09/39/343930939.db2.gz YFUVRSYJADSKHK-AAEUAGOBSA-N 2 0 260.447 1.563 10 0 CDAERP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000263250226 362394695 /nfs/dbraw/zinc/39/46/95/362394695.db2.gz PVHHQNUUXWMSCA-MPKXVKKWSA-N 2 0 268.788 1.441 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2CSCC[NH2+]2)[C@H](C)C1 ZINC000262748252 344702480 /nfs/dbraw/zinc/70/24/80/344702480.db2.gz GEDHUYKIAUIZOM-RDBSUJKOSA-N 2 0 299.484 1.270 10 0 CDAERP CC1CC[NH+](CCCNC(=O)CC2([NH3+])CCCC2)CC1 ZINC000084184399 178818909 /nfs/dbraw/zinc/81/89/09/178818909.db2.gz FBWJXIXAYKOYLO-UHFFFAOYSA-N 2 0 281.444 1.886 10 0 CDAERP Cc1scc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1C ZINC000538111975 282395208 /nfs/dbraw/zinc/39/52/08/282395208.db2.gz AOPDRGMUZRTQJP-UHFFFAOYSA-N 2 0 297.468 1.930 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000623903301 345729653 /nfs/dbraw/zinc/72/96/53/345729653.db2.gz BSSOTGYPVLFVQW-KFWWJZLASA-N 2 0 272.433 1.890 10 0 CDAERP CCC[NH2+][C@@](C)(CO)C[C@@H](C)N1CC[C@H]([NH+](C)C)C1 ZINC000085213700 178978100 /nfs/dbraw/zinc/97/81/00/178978100.db2.gz ARNDAYRCYFMRAD-QLFBSQMISA-N 2 0 271.449 1.152 10 0 CDAERP CC(C)(CC[NH3+])NC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000422608741 535023339 /nfs/dbraw/zinc/02/33/39/535023339.db2.gz MZRKJNIFKWCNJJ-LBPRGKRZSA-N 2 0 264.373 1.113 10 0 CDAERP C[C@@H]1COCCN1CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623401575 346162730 /nfs/dbraw/zinc/16/27/30/346162730.db2.gz FDUQJOLZQFGBTJ-KGLIPLIRSA-N 2 0 269.433 1.170 10 0 CDAERP [NH3+][C@H]1CCCC[C@@H]1C(=O)NCCC[NH+]1CCCCC1 ZINC000085358220 179031231 /nfs/dbraw/zinc/03/12/31/179031231.db2.gz MSNWCXORVIPNED-KBPBESRZSA-N 2 0 267.417 1.496 10 0 CDAERP CC1(C)CC(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])CC(C)(C)[NH2+]1 ZINC000085370880 179041071 /nfs/dbraw/zinc/04/10/71/179041071.db2.gz LUWAAGNNBLNDGA-NEPJUHHUSA-N 2 0 267.417 1.539 10 0 CDAERP Cc1ccncc1C[NH2+]C[C@@H]1CCCCN1CCO ZINC000449396539 362691315 /nfs/dbraw/zinc/69/13/15/362691315.db2.gz LWZCIQLLYDOBJW-HNNXBMFYSA-N 2 0 263.385 1.326 10 0 CDAERP CCCc1nc2c(n1[C@H]1C[NH+]3CCC1CC3)CC[NH2+]C2 ZINC000085568731 179095193 /nfs/dbraw/zinc/09/51/93/179095193.db2.gz YHBOREBBLXTUND-HNNXBMFYSA-N 2 0 274.412 1.748 10 0 CDAERP CC[C@@H]([NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)[C@@H](C)O ZINC000449540197 362753185 /nfs/dbraw/zinc/75/31/85/362753185.db2.gz JHEIHWKMTVQGMH-IUODEOHRSA-N 2 0 274.368 1.825 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCO[C@@H]2CCOC2)CC1(C)C ZINC000623445161 346760927 /nfs/dbraw/zinc/76/09/27/346760927.db2.gz FOHAVSSRKDUUNX-UONOGXRCSA-N 2 0 270.417 1.644 10 0 CDAERP Cc1nn(C)c(C)c1CC[NH2+]C[C@@]1(C)CC[NH2+]C1 ZINC000566229412 370652508 /nfs/dbraw/zinc/65/25/08/370652508.db2.gz AZQKPBLYJAXNFG-CQSZACIVSA-N 2 0 250.390 1.169 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612931673 347333777 /nfs/dbraw/zinc/33/37/77/347333777.db2.gz WJRBGVOZPRQLKZ-CQSZACIVSA-N 2 0 270.421 1.016 10 0 CDAERP CC[C@](C[NH3+])(C1CC1)N1CC[NH+](C(C)(C)C)CC1 ZINC000086120289 179234590 /nfs/dbraw/zinc/23/45/90/179234590.db2.gz NALPCVULKOYPER-HNNXBMFYSA-N 2 0 253.434 1.920 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CN1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC000086145826 179238701 /nfs/dbraw/zinc/23/87/01/179238701.db2.gz DRMJPLQYNIPUDL-UONOGXRCSA-N 2 0 253.434 1.791 10 0 CDAERP C[N@@H+]1CCC[C@H](CN2CC[NH2+]C3(CCCCC3)C2)C1 ZINC000086145761 179239150 /nfs/dbraw/zinc/23/91/50/179239150.db2.gz VKILCDUGAGYEGE-HNNXBMFYSA-N 2 0 265.445 1.936 10 0 CDAERP C[C@@H]1C[NH2+][C@](C)(C2CC2)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086182527 179247881 /nfs/dbraw/zinc/24/78/81/179247881.db2.gz PQZGRMDCZQMTJW-WQVCFCJDSA-N 2 0 263.429 1.543 10 0 CDAERP CC(C)[NH+]1CCN(CCC[NH+]2[C@H](C)C[C@H]2C)CC1 ZINC000554556444 290174441 /nfs/dbraw/zinc/17/44/41/290174441.db2.gz JZMRZYJXSGIMSC-HUUCEWRRSA-N 2 0 253.434 1.885 10 0 CDAERP C[NH+](C)C1(CN[C@H]2CC[N@H+](C)C(C)(C)C2)CCC1 ZINC000623503229 347607946 /nfs/dbraw/zinc/60/79/46/347607946.db2.gz PYZYIDKHXKQCIN-ZDUSSCGKSA-N 2 0 253.434 1.933 10 0 CDAERP CCOC1CC(O)(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623509085 347609238 /nfs/dbraw/zinc/60/92/38/347609238.db2.gz RXNVLXJQXSIDQU-DNOWBOINSA-N 2 0 270.417 1.379 10 0 CDAERP C(C1CC1)[NH+]1CCC([NH2+][C@@H]2C[C@@H]3CC[C@H]2O3)CC1 ZINC001659136028 1172102976 /nfs/dbraw/zinc/10/29/76/1172102976.db2.gz OLTUUNWORJEDAB-RRFJBIMHSA-N 2 0 250.386 1.770 10 0 CDAERP C[NH+]1CCC(CC(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000370328741 282690434 /nfs/dbraw/zinc/69/04/34/282690434.db2.gz YVJKBNFRWXOSRD-HNNXBMFYSA-N 2 0 279.428 1.415 10 0 CDAERP CCn1nccc1CC[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000621774014 350770376 /nfs/dbraw/zinc/77/03/76/350770376.db2.gz IMGNYSLFQLPPEA-AWEZNQCLSA-N 2 0 252.406 1.751 10 0 CDAERP CCn1nccc1CC[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000621774178 350771099 /nfs/dbraw/zinc/77/10/99/350771099.db2.gz MSVXIZAUGUDCDN-GFCCVEGCSA-N 2 0 250.390 1.505 10 0 CDAERP CCn1nccc1CC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000621776682 350773126 /nfs/dbraw/zinc/77/31/26/350773126.db2.gz SGNIJHXFCVUDGN-OAHLLOKOSA-N 2 0 262.401 1.521 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC000622101605 350997226 /nfs/dbraw/zinc/99/72/26/350997226.db2.gz JRYBIQXQTSSPID-CQSZACIVSA-N 2 0 296.459 1.596 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000629565740 363010469 /nfs/dbraw/zinc/01/04/69/363010469.db2.gz GMVDOKFSARBWMZ-UHFFFAOYSA-N 2 0 286.803 1.887 10 0 CDAERP CO[C@H]1C[C@@H](C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000623823916 351290129 /nfs/dbraw/zinc/29/01/29/351290129.db2.gz OTSCTQJRJBFQQI-JNSHFYNHSA-N 2 0 272.352 1.782 10 0 CDAERP CN1CCC[C@H]1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000623785233 351276944 /nfs/dbraw/zinc/27/69/44/351276944.db2.gz DAAHAYVOJRJFKP-INIZCTEOSA-N 2 0 291.439 1.811 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCCOCC(F)(F)F)C2 ZINC000629584938 363050820 /nfs/dbraw/zinc/05/08/20/363050820.db2.gz GSLXDJLEXOZCCV-TXEJJXNPSA-N 2 0 280.334 1.887 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1cnc2nc(C)cc(C)n12 ZINC000629653139 363253066 /nfs/dbraw/zinc/25/30/66/363253066.db2.gz FUZOWFDIRKIJEX-UHFFFAOYSA-N 2 0 291.399 1.014 10 0 CDAERP CCN1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CC1=O ZINC000453355501 363296400 /nfs/dbraw/zinc/29/64/00/363296400.db2.gz LOIJBYFWMHKLFU-SYQHCUMBSA-N 2 0 265.401 1.070 10 0 CDAERP C[N@@H+]1CC[C@@H](NC(=O)NCC(C)(C)[NH3+])[C@@H]1c1ccccc1 ZINC000417931734 283051169 /nfs/dbraw/zinc/05/11/69/283051169.db2.gz CGOIKEXXJBVKNU-KGLIPLIRSA-N 2 0 290.411 1.468 10 0 CDAERP C[N@@H+]1CC[C@H](NC[C@]2(C)CCC[NH2+]C2)[C@H]2CCC[C@@H]21 ZINC000423348730 283138829 /nfs/dbraw/zinc/13/88/29/283138829.db2.gz UNYBYGUWYDEMDC-FXUDXRNXSA-N 2 0 265.445 1.839 10 0 CDAERP CC[C@@H]1C[NH+](C2CCN(CC[NH3+])CC2)C[C@@H](CC)O1 ZINC000725273890 538463547 /nfs/dbraw/zinc/46/35/47/538463547.db2.gz QWPQLMWKOQVWLY-HUUCEWRRSA-N 2 0 269.433 1.299 10 0 CDAERP COc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000070074296 356836828 /nfs/dbraw/zinc/83/68/28/356836828.db2.gz BLAFVOIHAIHZQF-ZDUSSCGKSA-N 2 0 291.395 1.695 10 0 CDAERP Cc1nccn1-c1ncccc1NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000091544080 357717561 /nfs/dbraw/zinc/71/75/61/357717561.db2.gz PXTNLPSBKNAENM-VXGBXAGGSA-N 2 0 285.351 1.642 10 0 CDAERP Cc1n[nH]c(C)c1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732907 358061444 /nfs/dbraw/zinc/06/14/44/358061444.db2.gz RRSJTIJSMMLSFT-GFCCVEGCSA-N 2 0 250.390 1.894 10 0 CDAERP CSCCC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000364207647 358083742 /nfs/dbraw/zinc/08/37/42/358083742.db2.gz OTTIRZMRGAOHKQ-GFCCVEGCSA-N 2 0 285.457 1.024 10 0 CDAERP C[C@H](CNC1=[NH+]CCCN1)N1CCc2sccc2C1 ZINC000261879643 359075732 /nfs/dbraw/zinc/07/57/32/359075732.db2.gz QSOVPTKWNMDDFE-LLVKDONJSA-N 2 0 278.425 1.434 10 0 CDAERP C[C@]1(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)CC[NH2+]C1 ZINC000261938107 359096137 /nfs/dbraw/zinc/09/61/37/359096137.db2.gz DJFNVTJJIAEHEI-HOTGVXAUSA-N 2 0 281.444 1.030 10 0 CDAERP CCc1nc(CN[C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cs1 ZINC000262048406 359130210 /nfs/dbraw/zinc/13/02/10/359130210.db2.gz ZHZBUEMFUHHSQI-MJBXVCDLSA-N 2 0 295.452 1.952 10 0 CDAERP CN(CC[C@@H]1CCCC[N@@H+]1C)C[C@]1(C)CC[NH2+]C1 ZINC000262125328 359135500 /nfs/dbraw/zinc/13/55/00/359135500.db2.gz XQMYCFJQSVZNRL-LSDHHAIUSA-N 2 0 253.434 1.792 10 0 CDAERP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H](O)Cn2cccn2)CC1 ZINC000572356728 359135617 /nfs/dbraw/zinc/13/56/17/359135617.db2.gz SSQXWVZYXWGQEP-CQSZACIVSA-N 2 0 280.416 1.097 10 0 CDAERP O[C@H](CC[NH2+]C1CC[NH+](CC2CC2)CC1)C(F)(F)F ZINC000572409353 359330900 /nfs/dbraw/zinc/33/09/00/359330900.db2.gz KGAJCSWOGDEOHK-GFCCVEGCSA-N 2 0 280.334 1.764 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000347516803 359407135 /nfs/dbraw/zinc/40/71/35/359407135.db2.gz GRDIKOZZQOXRNF-OLZOCXBDSA-N 2 0 271.449 2.000 10 0 CDAERP CCCN1C[C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CC1=O ZINC000421895421 359497268 /nfs/dbraw/zinc/49/72/68/359497268.db2.gz YNFYMDCKPPADMB-CAOSSQGBSA-N 2 0 293.455 1.707 10 0 CDAERP CC(C)[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)[NH+](C)C ZINC000347889120 359651018 /nfs/dbraw/zinc/65/10/18/359651018.db2.gz JLAWKOSITCKTGS-ZIAGYGMSSA-N 2 0 267.417 1.268 10 0 CDAERP CCC[C@@H](C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[NH+](C)C ZINC000119400125 283474762 /nfs/dbraw/zinc/47/47/62/283474762.db2.gz PZHWSOROLPAGIR-STQMWFEESA-N 2 0 271.449 1.809 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](CC2(O)CCC2)CC1 ZINC000336707980 359751442 /nfs/dbraw/zinc/75/14/42/359751442.db2.gz JDTIZFDFSYKGBA-UHFFFAOYSA-N 2 0 254.418 1.955 10 0 CDAERP C[N@H+](CCCC[NH2+][C@H](C1CC1)[C@@H]1CNCCO1)C1CC1 ZINC000423157095 359753489 /nfs/dbraw/zinc/75/34/89/359753489.db2.gz AFNBMZLIRRVZRL-JKSUJKDBSA-N 2 0 281.444 1.217 10 0 CDAERP COc1cccc(CC[NH2+][C@H]2CCCC[C@H]2C[NH3+])n1 ZINC000423004999 359734899 /nfs/dbraw/zinc/73/48/99/359734899.db2.gz LJMDGVOCMUKONT-JSGCOSHPSA-N 2 0 263.385 1.740 10 0 CDAERP Cn1ccnc1CN1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000162948345 359783099 /nfs/dbraw/zinc/78/30/99/359783099.db2.gz HQAOTPVRSUPMNW-OAHLLOKOSA-N 2 0 291.443 1.022 10 0 CDAERP CCc1ccccc1[C@H]([NH3+])CN[C@@H]1C[N@H+](C)C[C@H]1C ZINC000423498276 359823133 /nfs/dbraw/zinc/82/31/33/359823133.db2.gz HWJFSBQQDRQRDD-DAXOMENPSA-N 2 0 261.413 1.789 10 0 CDAERP CC[NH+]1CCN([C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000118834394 359816302 /nfs/dbraw/zinc/81/63/02/359816302.db2.gz FNUIKPUMFZWUSC-SFHVURJKSA-N 2 0 287.451 1.941 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)NCC[NH+]1CCCOCC1 ZINC000356843016 366586219 /nfs/dbraw/zinc/58/62/19/366586219.db2.gz SSDHJIZEHMFQOO-HNNXBMFYSA-N 2 0 297.443 1.089 10 0 CDAERP CC[NH+](CC)CC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000336800565 359864211 /nfs/dbraw/zinc/86/42/11/359864211.db2.gz MTEWDZCAADXXHE-AWEZNQCLSA-N 2 0 267.417 1.271 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC[N@@H+]1C ZINC000262671053 360026777 /nfs/dbraw/zinc/02/67/77/360026777.db2.gz NYDDDLYXVSKFDN-QCODTGAPSA-N 2 0 293.455 1.848 10 0 CDAERP CN1CC[NH+](CCCC[NH2+]C[C@]2(C)CCCS2)CC1 ZINC000628202389 360240681 /nfs/dbraw/zinc/24/06/81/360240681.db2.gz RINSTQCMKKYODN-HNNXBMFYSA-N 2 0 285.501 1.889 10 0 CDAERP Cc1cc(C)n2c(C[NH2+][C@@H](C)[C@@H]3CCC[NH2+]C3)cnc2n1 ZINC000514782039 360375450 /nfs/dbraw/zinc/37/54/50/360375450.db2.gz JZHSSJSXODMNIF-UONOGXRCSA-N 2 0 287.411 1.824 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH2+]C2CCC(NC(C)=O)CC2)[C@@H](C)C1 ZINC000348758242 360569573 /nfs/dbraw/zinc/56/95/73/360569573.db2.gz ZWYZWICVQYCSNL-HOJRLLLISA-N 2 0 281.444 1.754 10 0 CDAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CN[C@H]1CC[NH2+]C1 ZINC000635002903 360645995 /nfs/dbraw/zinc/64/59/95/360645995.db2.gz AZXAXGRTZLGEHZ-OIISXLGYSA-N 2 0 273.424 1.706 10 0 CDAERP COc1cc(CN2C[C@@H](C)[C@@H](C[NH3+])C2)cc2c1OCO2 ZINC000634999877 360639431 /nfs/dbraw/zinc/63/94/31/360639431.db2.gz BLBVIFMNJPOYAF-PWSUYJOCSA-N 2 0 278.352 1.451 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH+](C)C ZINC000349144570 360741305 /nfs/dbraw/zinc/74/13/05/360741305.db2.gz PNFWCMSAAQZHQS-QWHCGFSZSA-N 2 0 255.406 1.317 10 0 CDAERP CN(C)C(=O)c1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)[nH]1 ZINC000335743597 360885475 /nfs/dbraw/zinc/88/54/75/360885475.db2.gz YBVOWXZEIZJAIK-UHFFFAOYSA-N 2 0 290.411 1.292 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)NCC[NH+]1CC=CCC1 ZINC000350081495 360979777 /nfs/dbraw/zinc/97/97/77/360979777.db2.gz YOTDQIZJXOFOSR-HNNXBMFYSA-N 2 0 279.428 1.629 10 0 CDAERP C[N@@H+]1CCC[C@@]2(C[NH+]=C(N)N2Cc2ccccc2)C1 ZINC000134374470 360982130 /nfs/dbraw/zinc/98/21/30/360982130.db2.gz PRYDNVSVPHIXLN-OAHLLOKOSA-N 2 0 258.369 1.281 10 0 CDAERP C[N@@H+]1CC[C@H](N[C@@H]2CCC[NH2+]CC2)[C@H]2CCC[C@H]21 ZINC000643522267 361014495 /nfs/dbraw/zinc/01/44/95/361014495.db2.gz KSMVUWHACJKEBI-APIJFGDWSA-N 2 0 251.418 1.591 10 0 CDAERP O=C(CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)NCc1ccco1 ZINC000339068867 361257886 /nfs/dbraw/zinc/25/78/86/361257886.db2.gz IFSMGCSEHRIDBF-STQMWFEESA-N 2 0 277.368 1.112 10 0 CDAERP C[C@@H](C[NH3+])CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000417933204 361403564 /nfs/dbraw/zinc/40/35/64/361403564.db2.gz NXBYFAORPFZOFW-HIFPTAJRSA-N 2 0 270.421 1.001 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000423977884 291280619 /nfs/dbraw/zinc/28/06/19/291280619.db2.gz KRVNCNWGJORKDK-DRZSPHRISA-N 2 0 253.390 1.232 10 0 CDAERP CC[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000336622398 363882143 /nfs/dbraw/zinc/88/21/43/363882143.db2.gz LWYJACFNYUNQEX-UKRRQHHQSA-N 2 0 296.459 1.595 10 0 CDAERP CC[NH+]1CCC(CC[NH2+]Cc2c(C)cnn2C)CC1 ZINC000352792065 363907943 /nfs/dbraw/zinc/90/79/43/363907943.db2.gz QYTKJSLBNMCOKP-UHFFFAOYSA-N 2 0 264.417 1.940 10 0 CDAERP CC[C@@H](C)C[NH+]1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000170599780 364177683 /nfs/dbraw/zinc/17/76/83/364177683.db2.gz VAVJHZQBEAKRIU-MRXNPFEDSA-N 2 0 283.460 1.372 10 0 CDAERP Cc1cccc2c(N3CC[NH+](CCO)CC3)cc[nH+]c12 ZINC000301697353 364330916 /nfs/dbraw/zinc/33/09/16/364330916.db2.gz ZOJZGHZOZZWCJO-UHFFFAOYSA-N 2 0 271.364 1.658 10 0 CDAERP C[NH+](C)[C@@H]1CCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000170862846 364415768 /nfs/dbraw/zinc/41/57/68/364415768.db2.gz MGXOSGPYKJACMO-CQSZACIVSA-N 2 0 296.459 1.596 10 0 CDAERP COc1c[nH+]ccc1N1CC[NH+](CCCF)CC1 ZINC000361519839 364715375 /nfs/dbraw/zinc/71/53/75/364715375.db2.gz QJFYIWHVHFMAJM-UHFFFAOYSA-N 2 0 253.321 1.572 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC(n2ccnc2)C1 ZINC000563946070 364776584 /nfs/dbraw/zinc/77/65/84/364776584.db2.gz QPXWUCIXLLZBKB-ZDUSSCGKSA-N 2 0 262.357 1.141 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C=C[C@H](CO)C2)[C@@H]2CCC[C@@H]21 ZINC000353390589 365177738 /nfs/dbraw/zinc/17/77/38/365177738.db2.gz ZXRUNENVFXSDEQ-AICCOOGYSA-N 2 0 250.386 1.386 10 0 CDAERP CCCNC(=O)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353455043 365219797 /nfs/dbraw/zinc/21/97/97/365219797.db2.gz NTRRSZSTQFORSJ-BFHYXJOUSA-N 2 0 267.417 1.365 10 0 CDAERP CC[C@@H](Cn1cncn1)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000353421783 365195741 /nfs/dbraw/zinc/19/57/41/365195741.db2.gz AMNZZZVWESAKDD-ZDUSSCGKSA-N 2 0 277.416 1.663 10 0 CDAERP COCC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353530322 365281369 /nfs/dbraw/zinc/28/13/69/365281369.db2.gz SCLVLIJXDUSIDG-KBXIAJHMSA-N 2 0 270.417 1.236 10 0 CDAERP CCCC[NH+]1CCC(N[C@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000400407740 366955009 /nfs/dbraw/zinc/95/50/09/366955009.db2.gz SEANJBIFHXFUHR-KGLIPLIRSA-N 2 0 253.434 1.839 10 0 CDAERP Cc1ccncc1N1CC[NH+](C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414752675 241367256 /nfs/dbraw/zinc/36/72/56/241367256.db2.gz LBVMAHLFEDVLHQ-JKSUJKDBSA-N 2 0 288.439 1.900 10 0 CDAERP CC[C@@H]1C[C@@H](C[NH2+]CCCN2CC[NH2+]CC2)CCO1 ZINC000414783161 241384380 /nfs/dbraw/zinc/38/43/80/241384380.db2.gz PYHZZAZBKLEJJH-LSDHHAIUSA-N 2 0 269.433 1.077 10 0 CDAERP C([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)[C@@H]1CCC[NH2+]C1 ZINC000414827279 367048129 /nfs/dbraw/zinc/04/81/29/367048129.db2.gz KGSVNDRPXSCXMQ-SYQHCUMBSA-N 2 0 250.386 1.533 10 0 CDAERP CCCn1cc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cn1 ZINC000414801874 241395741 /nfs/dbraw/zinc/39/57/41/241395741.db2.gz MIYHFPVVNVBMED-KBPBESRZSA-N 2 0 250.390 1.900 10 0 CDAERP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000626971464 367110221 /nfs/dbraw/zinc/11/02/21/367110221.db2.gz ITYQFLDMJULHHI-RRFJBIMHSA-N 2 0 296.459 1.691 10 0 CDAERP COc1cc(C)c(C[NH2+]C[C@H]2CCC[NH2+]C2)c(C)n1 ZINC000414841943 367171271 /nfs/dbraw/zinc/17/12/71/367171271.db2.gz ZSZLJLSUMSMXLI-ZDUSSCGKSA-N 2 0 263.385 1.796 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000626993704 367207055 /nfs/dbraw/zinc/20/70/55/367207055.db2.gz LBPUUSQAHHMACA-SWLSCSKDSA-N 2 0 294.443 1.443 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000626997386 367217463 /nfs/dbraw/zinc/21/74/63/367217463.db2.gz RBLNWYWCJKISGD-RWMBFGLXSA-N 2 0 284.448 1.402 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000627013510 367237167 /nfs/dbraw/zinc/23/71/67/367237167.db2.gz GNRANVFXTNBIBK-QWHCGFSZSA-N 2 0 282.432 1.158 10 0 CDAERP COc1c(C)cnc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1C ZINC000630076481 367299579 /nfs/dbraw/zinc/29/95/79/367299579.db2.gz JRNXAKYQOWCMLO-DGCLKSJQSA-N 2 0 263.385 1.734 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)NCCCC[N@H+](C)C2CC2)C[NH2+]1 ZINC000627057870 367313503 /nfs/dbraw/zinc/31/35/03/367313503.db2.gz MINUMDDPBOKZEF-OLZOCXBDSA-N 2 0 282.432 1.301 10 0 CDAERP C[C@@H]1CN(C)C[C@H]1[NH2+]CCCc1nnc2n1CCCCC2 ZINC000358203355 367510762 /nfs/dbraw/zinc/51/07/62/367510762.db2.gz OAQPWMFMKFDJGC-ZIAGYGMSSA-N 2 0 291.443 1.477 10 0 CDAERP CC(C)[NH+](CCNC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)C(C)C ZINC000416799942 242144741 /nfs/dbraw/zinc/14/47/41/242144741.db2.gz FBMLTHHBDCQHDP-UONOGXRCSA-N 2 0 284.448 1.402 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000416800742 242144923 /nfs/dbraw/zinc/14/49/23/242144923.db2.gz GBTZPEBTEQNLDY-AEGPPILISA-N 2 0 290.411 1.420 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000416834607 242176158 /nfs/dbraw/zinc/17/61/58/242176158.db2.gz YNOKDELRZWEZON-RYUDHWBXSA-N 2 0 270.421 1.286 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000627159771 367588235 /nfs/dbraw/zinc/58/82/35/367588235.db2.gz UFYMBPGPXAQTGB-RVMXOQNASA-N 2 0 268.405 1.038 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000233450717 367591011 /nfs/dbraw/zinc/59/10/11/367591011.db2.gz SFIWURIJOGKUBG-QWHCGFSZSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000416888349 242212091 /nfs/dbraw/zinc/21/20/91/242212091.db2.gz OQXVSAOXZFITHA-DOMZBBRYSA-N 2 0 290.411 1.379 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000417001714 242258672 /nfs/dbraw/zinc/25/86/72/242258672.db2.gz FGJLGDFGLWALSY-GDBMZVCRSA-N 2 0 296.459 1.502 10 0 CDAERP CC[NH+](CC)[C@H](CNC(=O)NCCC[NH3+])c1ccsc1 ZINC000417006170 242261395 /nfs/dbraw/zinc/26/13/95/242261395.db2.gz JPJYFZUZIKSLRM-CYBMUJFWSA-N 2 0 298.456 1.779 10 0 CDAERP C[NH+](C)[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)C1CC1 ZINC000353455147 367667312 /nfs/dbraw/zinc/66/73/12/367667312.db2.gz PGVBTEAGACRKDX-ZJIFWQFVSA-N 2 0 265.445 1.789 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N[C@H](C)CCCC[NH3+])CC1 ZINC000417387608 242451249 /nfs/dbraw/zinc/45/12/49/242451249.db2.gz HIIKUPDLSWEEFW-CQSZACIVSA-N 2 0 298.475 1.925 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)C[NH2+]1 ZINC000627196133 367683865 /nfs/dbraw/zinc/68/38/65/367683865.db2.gz HBPXULJHPQYEMQ-KFWWJZLASA-N 2 0 294.443 1.397 10 0 CDAERP C[C@H]1CC[C@@H](NC(=O)N2CC[NH+](C3CCC3)CC2)C[NH2+]1 ZINC000627198936 367689099 /nfs/dbraw/zinc/68/90/99/367689099.db2.gz PETVUBXBWTZGNZ-QWHCGFSZSA-N 2 0 280.416 1.007 10 0 CDAERP COCCN(C)c1ccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cn1 ZINC000414943656 370875591 /nfs/dbraw/zinc/87/55/91/370875591.db2.gz OEIHSTOVPZZJKI-ZFWWWQNUSA-N 2 0 292.427 1.252 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000627241576 367809940 /nfs/dbraw/zinc/80/99/40/367809940.db2.gz MCXHXGIDQYDFJB-GXTWGEPZSA-N 2 0 294.399 1.103 10 0 CDAERP CC1CC[NH+](CCCNC(=O)CCC2C[NH2+]C2)CC1 ZINC000638053666 367857221 /nfs/dbraw/zinc/85/72/21/367857221.db2.gz MDDQMQRDDRJYBA-UHFFFAOYSA-N 2 0 267.417 1.224 10 0 CDAERP CC[NH+](CC)CCN(CC(C)C)C(=O)CCC1C[NH2+]C1 ZINC000638073057 368049560 /nfs/dbraw/zinc/04/95/60/368049560.db2.gz XCXGAIFYYMNBQM-UHFFFAOYSA-N 2 0 283.460 1.812 10 0 CDAERP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000418231628 242801882 /nfs/dbraw/zinc/80/18/82/242801882.db2.gz CEMXQZKYJILTCN-MCIONIFRSA-N 2 0 284.448 1.532 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000418471796 243118037 /nfs/dbraw/zinc/11/80/37/243118037.db2.gz WCVHNUSAJSYLLZ-TYNCELHUSA-N 2 0 290.411 1.504 10 0 CDAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000418584490 243240087 /nfs/dbraw/zinc/24/00/87/243240087.db2.gz CCQUCESPDBEYDN-STQMWFEESA-N 2 0 282.432 1.110 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)N[C@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000418585638 243240837 /nfs/dbraw/zinc/24/08/37/243240837.db2.gz DNSCOABNDQCDSH-HIFRSBDPSA-N 2 0 296.459 1.500 10 0 CDAERP CCCC[NH+]1CCC(N[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000360861441 368524455 /nfs/dbraw/zinc/52/44/55/368524455.db2.gz SCXVYKQMOZLQLH-HIFRSBDPSA-N 2 0 253.434 1.791 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000375683473 370907392 /nfs/dbraw/zinc/90/73/92/370907392.db2.gz RUAZNSZLEOEUEE-SHARSMKWSA-N 2 0 294.443 1.397 10 0 CDAERP CO[C@@H](C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1)C1CCC1 ZINC000660075051 412771910 /nfs/dbraw/zinc/77/19/10/412771910.db2.gz VTNXQGQHGMKPGQ-SJORKVTESA-N 2 0 295.471 1.513 10 0 CDAERP CN(C(=O)C1=CC[C@@H]([NH3+])C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638271877 369053819 /nfs/dbraw/zinc/05/38/19/369053819.db2.gz FDHCXYPECIXDMY-SJORKVTESA-N 2 0 299.418 1.767 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCn2cccn2)[C@@H]2CCC[C@@H]21 ZINC000367615886 369199686 /nfs/dbraw/zinc/19/96/86/369199686.db2.gz MTDAPXQWBJHLHI-KKUMJFAQSA-N 2 0 262.401 1.736 10 0 CDAERP COC(=O)[C@@H]1CSCC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000415145397 284145205 /nfs/dbraw/zinc/14/52/05/284145205.db2.gz XBGKOKGJCRIVRD-UPJWGTAASA-N 2 0 286.441 1.213 10 0 CDAERP Cc1ccncc1C[NH2+]CCCN1CC[NH+](C)CC1 ZINC000135434062 369687805 /nfs/dbraw/zinc/68/78/05/369687805.db2.gz NHFFVFYEULQKKA-UHFFFAOYSA-N 2 0 262.401 1.117 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N2CC[C@H]([NH+](C)C)C2)CC1 ZINC000170835878 369700494 /nfs/dbraw/zinc/70/04/94/369700494.db2.gz OUAUWYNMAHODDY-HNNXBMFYSA-N 2 0 296.459 1.454 10 0 CDAERP CN(CC[N@H+](C)C1CC1)C(=O)CCN(C)c1cc[nH+]cc1 ZINC000548113253 369756425 /nfs/dbraw/zinc/75/64/25/369756425.db2.gz SKGNZFQITIVNFN-UHFFFAOYSA-N 2 0 290.411 1.461 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC1CC[NH+](C)CC1 ZINC000079205610 369812225 /nfs/dbraw/zinc/81/22/25/369812225.db2.gz LSKRFXDWLQGZTP-AWEZNQCLSA-N 2 0 284.448 1.356 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH+]2CCC[C@H](C)C2)CC[N@@H+]1C ZINC000630812532 370034895 /nfs/dbraw/zinc/03/48/95/370034895.db2.gz YGZARLBYJUAZBU-YHUYYLMFSA-N 2 0 295.471 1.953 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@H]2CCC[NH+](CC)C2)C1 ZINC000249739802 370182229 /nfs/dbraw/zinc/18/22/29/370182229.db2.gz HVFBTNBSMCUXFT-GJZGRUSLSA-N 2 0 296.459 1.502 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)NCCC1(C[NH3+])CC1 ZINC000652127804 412782585 /nfs/dbraw/zinc/78/25/85/412782585.db2.gz CZIPEBPTUMKUGX-CYBMUJFWSA-N 2 0 282.432 1.289 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)NC[C@H]([NH3+])C(C)C)CC1 ZINC000417751319 535448575 /nfs/dbraw/zinc/44/85/75/535448575.db2.gz PBOSTCDWFMWQQT-AWEZNQCLSA-N 2 0 284.448 1.391 10 0 CDAERP Cc1nn(C)c(C)c1CC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422805202 245276956 /nfs/dbraw/zinc/27/69/56/245276956.db2.gz ISZUZFKPDXEKJS-NHYWBVRUSA-N 2 0 264.417 1.557 10 0 CDAERP COc1ccccc1N1CC[C@H]([NH2+][C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422873712 245359322 /nfs/dbraw/zinc/35/93/22/245359322.db2.gz LWNNEGDYWPPALG-ILXRZTDVSA-N 2 0 289.423 1.991 10 0 CDAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)[C@H](C)O)cn2)CC1 ZINC000572834590 371315198 /nfs/dbraw/zinc/31/51/98/371315198.db2.gz RPHURLOQFRTZQX-KBPBESRZSA-N 2 0 292.427 1.082 10 0 CDAERP COc1ccc([C@H](C[NH3+])CN2CC[NH2+]C[C@H]2C(F)F)cc1 ZINC000575181774 371770931 /nfs/dbraw/zinc/77/09/31/371770931.db2.gz ZHHQREGSYRQEME-OCCSQVGLSA-N 2 0 299.365 1.276 10 0 CDAERP CCOC(=O)COCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352104216 372446043 /nfs/dbraw/zinc/44/60/43/372446043.db2.gz UHGSDXKQGZQSJJ-PBWFPOADSA-N 2 0 284.400 1.123 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000173829538 372540797 /nfs/dbraw/zinc/54/07/97/372540797.db2.gz SDHXICLFDBIXKG-HUUCEWRRSA-N 2 0 298.475 1.842 10 0 CDAERP C[C@H]([NH2+]CCSCC(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000423011629 245493672 /nfs/dbraw/zinc/49/36/72/245493672.db2.gz BGHJIWIEKDXRGJ-DTWKUNHWSA-N 2 0 256.337 1.870 10 0 CDAERP C1C[C@@H]([C@H]2CCCC[C@@H]2[NH2+]C2CC[NH2+]CC2)CO1 ZINC000423179625 245639791 /nfs/dbraw/zinc/63/97/91/245639791.db2.gz HPPUEIZHUGQSPF-YUELXQCFSA-N 2 0 252.402 1.923 10 0 CDAERP C[N@@H+]1CC[C@@H](NC(=O)N2CC[C@H]([NH3+])C2)[C@@H]1c1ccccc1 ZINC000333510759 205390647 /nfs/dbraw/zinc/39/06/47/205390647.db2.gz FJJNTLCPXJVXTL-ZNMIVQPWSA-N 2 0 288.395 1.174 10 0 CDAERP CC[C@H](C)[C@H](C[NH2+]C1CCN(CCO)CC1)OC ZINC000399211541 373330775 /nfs/dbraw/zinc/33/07/75/373330775.db2.gz XYVAEJIFLMFMOW-JSGCOSHPSA-N 2 0 258.406 1.094 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000341216929 373418447 /nfs/dbraw/zinc/41/84/47/373418447.db2.gz WCKDCTOPJUZJQL-OAHLLOKOSA-N 2 0 298.475 1.842 10 0 CDAERP Cc1nc2n(n1)C[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC000192808452 373641826 /nfs/dbraw/zinc/64/18/26/373641826.db2.gz SQCWSFREUUCYGK-RLAWYHOSSA-N 2 0 275.400 1.116 10 0 CDAERP Cc1c[nH+]ccc1NC1CCN(CC[NH+](C)C)CC1 ZINC000192491476 373608673 /nfs/dbraw/zinc/60/86/73/373608673.db2.gz TXYQYKMFEUDCOV-UHFFFAOYSA-N 2 0 262.401 1.828 10 0 CDAERP CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1cncn1C(C)C ZINC000424162223 246362757 /nfs/dbraw/zinc/36/27/57/246362757.db2.gz WQBWOANXLYUOHG-VXGBXAGGSA-N 2 0 266.389 1.857 10 0 CDAERP C[C@H]([NH3+])C(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638851724 375092477 /nfs/dbraw/zinc/09/24/77/375092477.db2.gz QNANICNTGNHIFX-HOCLYGCPSA-N 2 0 289.423 1.895 10 0 CDAERP CCOCC[N@@H+]1CCN(CC[NH+]2CCCCC2)C[C@H]1CC ZINC000132285002 375440113 /nfs/dbraw/zinc/44/01/13/375440113.db2.gz DHWDOMJLBSGDAU-QGZVFWFLSA-N 2 0 297.487 1.905 10 0 CDAERP C[NH+](C)CCNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415976748 375508995 /nfs/dbraw/zinc/50/89/95/375508995.db2.gz RIZMHKUUIMJUDZ-UHFFFAOYSA-N 2 0 280.347 1.155 10 0 CDAERP CCOCC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001662098961 1172483556 /nfs/dbraw/zinc/48/35/56/1172483556.db2.gz DVBYASRCBZDAIX-NRXISQOPSA-N 2 0 297.443 1.134 10 0 CDAERP Nc1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)[nH+]c1N ZINC000306735144 375790807 /nfs/dbraw/zinc/79/08/07/375790807.db2.gz VSJKMTGHRNFRRF-CYBMUJFWSA-N 2 0 283.379 1.932 10 0 CDAERP CCOC(=O)[C@@H](F)[C@@H](C)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000245650823 376128125 /nfs/dbraw/zinc/12/81/25/376128125.db2.gz MUKMBHLMSWZISE-JWURUJNWSA-N 2 0 286.391 1.881 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000638974975 376315821 /nfs/dbraw/zinc/31/58/21/376315821.db2.gz FRQINOKVFOJDCZ-ZIAGYGMSSA-N 2 0 281.444 1.707 10 0 CDAERP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)C12CCC2 ZINC000245922500 376317727 /nfs/dbraw/zinc/31/77/27/376317727.db2.gz QZZHVFOSSRPCCD-BZUAXINKSA-N 2 0 296.455 1.771 10 0 CDAERP CCCCNC(=O)CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246480529 376877901 /nfs/dbraw/zinc/87/79/01/376877901.db2.gz ADEDXTVOWOWAIL-QWHCGFSZSA-N 2 0 255.406 1.317 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000417446377 377192056 /nfs/dbraw/zinc/19/20/56/377192056.db2.gz KZACEWDNASGURI-AGIUHOORSA-N 2 0 270.421 1.014 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000417445586 377158840 /nfs/dbraw/zinc/15/88/40/377158840.db2.gz HPOXXTFCFCYTNA-JSGCOSHPSA-N 2 0 282.432 1.253 10 0 CDAERP C[C@H](CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[S@](C)=O ZINC000252729253 377715006 /nfs/dbraw/zinc/71/50/06/377715006.db2.gz FXKCWMKIAWYCHI-ZFRZLUBXSA-N 2 0 258.431 1.360 10 0 CDAERP COCC[NH2+][C@@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001662268264 1172519441 /nfs/dbraw/zinc/51/94/41/1172519441.db2.gz DXUHHJIINJMGJZ-ZDUSSCGKSA-N 2 0 299.459 1.380 10 0 CDAERP C[N@@H+]1CCCC(C)(C)[C@H]1CN[C@H]1CCC[NH2+]CC1 ZINC000335012625 377804051 /nfs/dbraw/zinc/80/40/51/377804051.db2.gz QTYWRRHTTNFWMN-UONOGXRCSA-N 2 0 253.434 1.839 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH+](C)C)CC2)CC[N@@H+]1C ZINC000632762017 377834134 /nfs/dbraw/zinc/83/41/34/377834134.db2.gz GEHURHUKTZOHNP-QLFBSQMISA-N 2 0 281.444 1.659 10 0 CDAERP C[C@]1(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)CC[NH2+]C1 ZINC000261754447 377897953 /nfs/dbraw/zinc/89/79/53/377897953.db2.gz KKVVMHCATGYINR-INIZCTEOSA-N 3 0 281.444 1.030 10 0 CDAERP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000133632386 377943779 /nfs/dbraw/zinc/94/37/79/377943779.db2.gz YKEPOJFBLWKRRX-MCIONIFRSA-N 2 0 267.417 1.495 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CC[NH+](C)C3)C2)CC[N@@H+]1C ZINC000633188080 378189034 /nfs/dbraw/zinc/18/90/34/378189034.db2.gz JYLOOHHMGHRBHV-LZWOXQAQSA-N 2 0 279.428 1.271 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@H]2CC)C1 ZINC000633642937 378633001 /nfs/dbraw/zinc/63/30/01/378633001.db2.gz WOJAHELQEVVINI-MJBXVCDLSA-N 2 0 267.417 1.317 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)C1 ZINC000418599899 284778993 /nfs/dbraw/zinc/77/89/93/284778993.db2.gz RTUYKXJHWFSRFK-MGPQQGTHSA-N 2 0 282.432 1.110 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NC1CCC([NH+](C)C)CC1 ZINC000420799077 284803240 /nfs/dbraw/zinc/80/32/40/284803240.db2.gz IGKJKNOJAUQSGV-WLYUNCDWSA-N 2 0 298.475 1.889 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000417003292 284803714 /nfs/dbraw/zinc/80/37/14/284803714.db2.gz GYEOUVOURSVDIR-OLZOCXBDSA-N 2 0 270.421 1.016 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422854087 296312332 /nfs/dbraw/zinc/31/23/32/296312332.db2.gz CNPQDCBCFNMBQN-QBPKDAKJSA-N 2 0 295.471 1.608 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CC1(CO)CCCCC1 ZINC000234779766 483160509 /nfs/dbraw/zinc/16/05/09/483160509.db2.gz MMJKGDUOHBNWAW-ZDUSSCGKSA-N 2 0 258.406 1.273 10 0 CDAERP O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000659365651 412956234 /nfs/dbraw/zinc/95/62/34/412956234.db2.gz HMEXOBLFHAVCSM-HIFRSBDPSA-N 2 0 289.379 1.286 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000055087676 285186860 /nfs/dbraw/zinc/18/68/60/285186860.db2.gz ICLUPLJXBRVGTB-STQMWFEESA-N 2 0 267.417 1.447 10 0 CDAERP CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662429515 413009112 /nfs/dbraw/zinc/00/91/12/413009112.db2.gz UVINLIBQFQNHBX-JTQLQIEISA-N 2 0 282.388 1.314 10 0 CDAERP COC[C@@H](O)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000374706061 285251429 /nfs/dbraw/zinc/25/14/29/285251429.db2.gz SXSNIOSICHQYCU-CWRNSKLLSA-N 2 0 284.444 1.626 10 0 CDAERP O=C([C@H]1CCCCC[NH2+]1)N1CCC([NH+]2CCCC2)CC1 ZINC000080997510 177751496 /nfs/dbraw/zinc/75/14/96/177751496.db2.gz BRBUKJCWLPCUKA-OAHLLOKOSA-N 2 0 279.428 1.605 10 0 CDAERP [NH3+][C@H](CC(F)F)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000648132509 390161866 /nfs/dbraw/zinc/16/18/66/390161866.db2.gz YUASNTMIUPPISH-SECBINFHSA-N 2 0 287.285 1.392 10 0 CDAERP CC[C@H](C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21)[NH+](CC)CC ZINC000646915695 390300013 /nfs/dbraw/zinc/30/00/13/390300013.db2.gz SUEBXIQTKIJSJD-MGPQQGTHSA-N 2 0 267.417 1.269 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000070597814 390412447 /nfs/dbraw/zinc/41/24/47/390412447.db2.gz LXNVNWCILLWJFX-STQMWFEESA-N 2 0 267.417 1.493 10 0 CDAERP [NH3+]C[C@@H](C(=O)N[C@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1 ZINC000647055103 390382837 /nfs/dbraw/zinc/38/28/37/390382837.db2.gz LGDSDIXGTPCWNO-KGLIPLIRSA-N 2 0 291.370 1.126 10 0 CDAERP [NH3+]C[C@H](C(=O)N[C@@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1 ZINC000647055104 390382907 /nfs/dbraw/zinc/38/29/07/390382907.db2.gz LGDSDIXGTPCWNO-UONOGXRCSA-N 2 0 291.370 1.126 10 0 CDAERP CCC[C@@H]([NH3+])C(=O)NCC1CC[NH+](CCC)CC1 ZINC000236939476 390501439 /nfs/dbraw/zinc/50/14/39/390501439.db2.gz WJVZZTSTPKQXEG-CYBMUJFWSA-N 2 0 255.406 1.352 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000418384577 285388802 /nfs/dbraw/zinc/38/88/02/285388802.db2.gz PAVKZKFZYZSKQZ-MCIONIFRSA-N 2 0 282.432 1.110 10 0 CDAERP COCc1ccc(C[NH2+][C@H]2CCCN(CCO)C2)cc1 ZINC000395056595 390804851 /nfs/dbraw/zinc/80/48/51/390804851.db2.gz NTZJBOPQWGOHSV-INIZCTEOSA-N 2 0 278.396 1.379 10 0 CDAERP COc1ncncc1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000647200058 390855696 /nfs/dbraw/zinc/85/56/96/390855696.db2.gz GMFOCTRRJDLFHB-UHFFFAOYSA-N 2 0 264.373 1.307 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)C1([NH3+])CCCC1 ZINC000237677339 390867534 /nfs/dbraw/zinc/86/75/34/390867534.db2.gz YYEYAVBAZCVNDS-GFCCVEGCSA-N 2 0 253.390 1.249 10 0 CDAERP O=C(C1CC[NH+](C2CC2)CC1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000335424764 390852011 /nfs/dbraw/zinc/85/20/11/390852011.db2.gz IBOLHWPCYCESBO-KRWDZBQOSA-N 2 0 291.439 1.463 10 0 CDAERP Cn1cnc(CCC[NH2+][C@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)n1 ZINC000647327637 390939958 /nfs/dbraw/zinc/93/99/58/390939958.db2.gz DCHIHXWKSWBDAA-HZSPNIEDSA-N 2 0 277.416 1.210 10 0 CDAERP O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000648180719 390940901 /nfs/dbraw/zinc/94/09/01/390940901.db2.gz MPEBWNGKHLFZFW-KBXIAJHMSA-N 2 0 291.439 1.698 10 0 CDAERP CCC[NH+]1CCC([NH2+]CC(C)(C)[C@@]2(O)CCOC2)CC1 ZINC000647338935 390943113 /nfs/dbraw/zinc/94/31/13/390943113.db2.gz DMOQJFJOQKRZBJ-MRXNPFEDSA-N 2 0 284.444 1.628 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000357980838 390927376 /nfs/dbraw/zinc/92/73/76/390927376.db2.gz VYPVTZJRCXZGHE-NEPJUHHUSA-N 2 0 293.415 1.297 10 0 CDAERP CCCC[C@H](C[NH3+])NC(=O)NCCC1CC[NH+](CC)CC1 ZINC000417748984 391019038 /nfs/dbraw/zinc/01/90/38/391019038.db2.gz LCXPZVKBOWTFBJ-OAHLLOKOSA-N 2 0 298.475 1.925 10 0 CDAERP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)C1CCCCCC1 ZINC000518753772 390965396 /nfs/dbraw/zinc/96/53/96/390965396.db2.gz FXFYFPXTSYVCBM-CYBMUJFWSA-N 2 0 267.417 1.367 10 0 CDAERP CSC1(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000375058541 391179164 /nfs/dbraw/zinc/17/91/64/391179164.db2.gz JXOWWSZIFXUJOY-HNNXBMFYSA-N 2 0 297.512 1.984 10 0 CDAERP C[N@H+](CCCC1CC[NH2+]CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000647905001 391204616 /nfs/dbraw/zinc/20/46/16/391204616.db2.gz BSBSXHAQOWCWCG-XYPWUTKMSA-N 3 0 265.445 1.981 10 0 CDAERP CC1=CC[N@H+](CCNC(=O)N(C)CC(C)(C)C[NH3+])CC1 ZINC000418021202 391330081 /nfs/dbraw/zinc/33/00/81/391330081.db2.gz IKOOHOAOIUZLOS-UHFFFAOYSA-N 2 0 282.432 1.265 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)CC[N@@H+]1C ZINC000648104468 391338071 /nfs/dbraw/zinc/33/80/71/391338071.db2.gz AKPBHNHEEMULKG-KBUPBQIOSA-N 2 0 279.428 1.317 10 0 CDAERP C[C@]1(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)CCC[NH2+]C1 ZINC000648104979 391338891 /nfs/dbraw/zinc/33/88/91/391338891.db2.gz SUEYEBFSQJGJFW-LZWOXQAQSA-N 2 0 279.428 1.367 10 0 CDAERP CC(C)(C)[C@H]([NH3+])C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000178660811 391361447 /nfs/dbraw/zinc/36/14/47/391361447.db2.gz JJBINOJZULUHHE-GFCCVEGCSA-N 2 0 253.390 1.057 10 0 CDAERP O[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)Cc1ccccc1 ZINC000647786428 391452571 /nfs/dbraw/zinc/45/25/71/391452571.db2.gz OXOZZSNGWZEAAE-TWMKSMIVSA-N 2 0 274.408 1.568 10 0 CDAERP O=C(NCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000647789771 391537747 /nfs/dbraw/zinc/53/77/47/391537747.db2.gz LFUDSOPSLDSGPL-HRCADAONSA-N 2 0 287.407 1.394 10 0 CDAERP CC[NH2+][C@H](C)CNC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000417531958 391643085 /nfs/dbraw/zinc/64/30/85/391643085.db2.gz KCRYHPPRKNZTKU-MCIONIFRSA-N 2 0 284.448 1.547 10 0 CDAERP c1nc(C2CC2)ncc1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647793723 391637181 /nfs/dbraw/zinc/63/71/81/391637181.db2.gz GEEQJEJRQAOLGQ-ARFHVFGLSA-N 2 0 286.423 1.874 10 0 CDAERP Cn1ncc2c1CCC[C@@H]2[NH2+]CCCC[NH+](C)C ZINC000045663855 391596673 /nfs/dbraw/zinc/59/66/73/391596673.db2.gz ZLJMNCRXPWGRFQ-ZDUSSCGKSA-N 2 0 250.390 1.729 10 0 CDAERP C(C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000162058447 391613684 /nfs/dbraw/zinc/61/36/84/391613684.db2.gz QNRMMIWVXKBTOG-MRXNPFEDSA-N 2 0 281.444 1.269 10 0 CDAERP CS[C@@H]1CC[C@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000519705283 391692774 /nfs/dbraw/zinc/69/27/74/391692774.db2.gz BEAFGTMNBZPNAZ-ZIAGYGMSSA-N 2 0 271.474 1.498 10 0 CDAERP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000415004795 391708939 /nfs/dbraw/zinc/70/89/39/391708939.db2.gz AFTTYEWFKONQGO-GRYCIOLGSA-N 2 0 289.379 1.387 10 0 CDAERP CC(C)([NH3+])CCC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000647644361 391759637 /nfs/dbraw/zinc/75/96/37/391759637.db2.gz NOQXJDFDRUKOTF-UHFFFAOYSA-N 2 0 278.400 1.195 10 0 CDAERP Cc1ccc(NC(=O)NCCC[NH3+])c(OCC[NH+](C)C)c1 ZINC000415204456 391902658 /nfs/dbraw/zinc/90/26/58/391902658.db2.gz NXROCSPSNWLEFV-UHFFFAOYSA-N 2 0 294.399 1.406 10 0 CDAERP CCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)CCOCC1 ZINC000262029109 392032457 /nfs/dbraw/zinc/03/24/57/392032457.db2.gz XJGDNEAQXZIABC-ARFHVFGLSA-N 2 0 296.455 1.940 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H](CO)Cc1ccc(F)c(F)c1 ZINC000423071393 392316861 /nfs/dbraw/zinc/31/68/61/392316861.db2.gz HSTDHOZWFNRICQ-GMXVVIOVSA-N 2 0 286.366 1.831 10 0 CDAERP CCC[N@H+](C)CC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000442194420 392250939 /nfs/dbraw/zinc/25/09/39/392250939.db2.gz CMRPHJBVMCJUHP-UHFFFAOYSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)C1CCOCC1 ZINC000151349010 392271260 /nfs/dbraw/zinc/27/12/60/392271260.db2.gz WQCIWCRHPMHIDQ-UKRRQHHQSA-N 2 0 270.417 1.238 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000423030010 392284537 /nfs/dbraw/zinc/28/45/37/392284537.db2.gz SNYVSZNPKBPQSF-CYBMUJFWSA-N 2 0 292.379 1.748 10 0 CDAERP C[NH+]1CCC(C)(C[NH2+][C@H](C2CC2)[C@@H]2CNCCO2)CC1 ZINC000423046569 392297033 /nfs/dbraw/zinc/29/70/33/392297033.db2.gz UBZOMNWWXQSJAC-LSDHHAIUSA-N 2 0 281.444 1.075 10 0 CDAERP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000423051728 392301658 /nfs/dbraw/zinc/30/16/58/392301658.db2.gz OYBUFQUYMZDIHZ-NEPJUHHUSA-N 2 0 296.390 1.273 10 0 CDAERP COc1ccc(F)cc1C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000423058555 392306793 /nfs/dbraw/zinc/30/67/93/392306793.db2.gz CNCWTTLJSVOAPW-LEWSCRJBSA-N 2 0 282.359 1.676 10 0 CDAERP CC[NH+](CC)[C@H](C)CN[C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423085348 392331412 /nfs/dbraw/zinc/33/14/12/392331412.db2.gz KGVCBQYCDJOVOV-BPLDGKMQSA-N 2 0 269.433 1.073 10 0 CDAERP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3C[C@H]3C)cn2)CC1 ZINC000488449995 392362938 /nfs/dbraw/zinc/36/29/38/392362938.db2.gz BRZANZHGXJSZJQ-ZBFHGGJFSA-N 2 0 288.439 1.969 10 0 CDAERP Cc1cc(C[NH2+][C@H](C2CC2)[C@@H]2CNCCO2)ccn1 ZINC000423153478 392390832 /nfs/dbraw/zinc/39/08/32/392390832.db2.gz GROOSGHUJWQZFS-LSDHHAIUSA-N 2 0 261.369 1.247 10 0 CDAERP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)CN1CC(C)(C)C1 ZINC000568217324 392414357 /nfs/dbraw/zinc/41/43/57/392414357.db2.gz OBQVGCPLKKLYHQ-CYBMUJFWSA-N 2 0 281.444 1.565 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H](CO)c1ccc(F)cc1 ZINC000423195304 392433098 /nfs/dbraw/zinc/43/30/98/392433098.db2.gz XPTBSMPRDQWLTJ-HIFRSBDPSA-N 2 0 284.375 1.245 10 0 CDAERP C[C@@H](Cc1ccccc1)[NH+]1CCC(NCC2C[NH2+]C2)CC1 ZINC000423328804 392517627 /nfs/dbraw/zinc/51/76/27/392517627.db2.gz SJWBJOQQXYBEPW-HNNXBMFYSA-N 2 0 287.451 1.891 10 0 CDAERP C[NH2+]C[C@@H](C)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000645889447 392473809 /nfs/dbraw/zinc/47/38/09/392473809.db2.gz JOWQJNUJJUUUJF-SNVBAGLBSA-N 2 0 259.313 1.061 10 0 CDAERP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000646483602 392489703 /nfs/dbraw/zinc/48/97/03/392489703.db2.gz GSLULIQLZIXTSF-RBSFLKMASA-N 2 0 281.444 1.802 10 0 CDAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)[C@@H](c1ccccc1)N1CCOCC1 ZINC000423452128 392577672 /nfs/dbraw/zinc/57/76/72/392577672.db2.gz VZRUYQKXHKXNNW-JKQORVJESA-N 2 0 291.439 1.774 10 0 CDAERP C[C@@H](C[NH2+][C@@H](C)Cc1ccoc1)CN1CC[NH+](C)CC1 ZINC000449132153 392663870 /nfs/dbraw/zinc/66/38/70/392663870.db2.gz SFWNMLFDUGNKMW-GJZGRUSLSA-N 2 0 279.428 1.684 10 0 CDAERP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2COC3(CCC3)C2)CC1 ZINC000657837502 413054596 /nfs/dbraw/zinc/05/45/96/413054596.db2.gz SSNHIOGXEYPTCA-GJZGRUSLSA-N 2 0 281.444 1.314 10 0 CDAERP O[C@@H](C[NH2+]C1CC2(CCC2)C1)C[NH+]1CCCCC1 ZINC000459463834 393176158 /nfs/dbraw/zinc/17/61/58/393176158.db2.gz HRXULRCKKAIKND-AWEZNQCLSA-N 2 0 252.402 1.756 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)[C@@H]1C ZINC000494883836 393120658 /nfs/dbraw/zinc/12/06/58/393120658.db2.gz UDUGYOSQEUJPGT-NFAWXSAZSA-N 2 0 253.434 1.647 10 0 CDAERP CCc1nccn1[C@H](C)CC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000648784780 393345500 /nfs/dbraw/zinc/34/55/00/393345500.db2.gz DIHYILYLJPQYAJ-ZIAGYGMSSA-N 2 0 292.427 1.807 10 0 CDAERP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657878660 413067295 /nfs/dbraw/zinc/06/72/95/413067295.db2.gz HNJBUVNHYVJBJE-LSDHHAIUSA-N 2 0 282.428 1.525 10 0 CDAERP C[C@@H](Cn1cncn1)[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000657883825 413070356 /nfs/dbraw/zinc/07/03/56/413070356.db2.gz GDZAKXLBGPYYTQ-LBPRGKRZSA-N 2 0 291.374 1.657 10 0 CDAERP COCCC[C@@H](C)[NH2+]C[C@H]1CCCN1CCOC ZINC000178563111 140006543 /nfs/dbraw/zinc/00/65/43/140006543.db2.gz HBTZMOBHIUCZCR-ZIAGYGMSSA-N 2 0 258.406 1.502 10 0 CDAERP C[NH2+]CCC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261554162 140346324 /nfs/dbraw/zinc/34/63/24/140346324.db2.gz TZYCUGPCIMKMPM-HNNXBMFYSA-N 2 0 275.396 1.329 10 0 CDAERP C[C@@H]([NH3+])CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000261683316 140374256 /nfs/dbraw/zinc/37/42/56/140374256.db2.gz BOHVJKDCDWGWSR-CYBMUJFWSA-N 2 0 275.396 1.636 10 0 CDAERP CN(C)c1noc([C@H]2CCC[N@H+](CC3CC[NH2+]CC3)C2)n1 ZINC000261743807 140384025 /nfs/dbraw/zinc/38/40/25/140384025.db2.gz BQHBLCSQAZTZCG-ZDUSSCGKSA-N 2 0 293.415 1.315 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000261819731 140393983 /nfs/dbraw/zinc/39/39/83/140393983.db2.gz HUZVYAJPZVGROK-ZIAGYGMSSA-N 2 0 267.417 1.367 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000662594838 413166691 /nfs/dbraw/zinc/16/66/91/413166691.db2.gz WODZRCUHTZDVST-QWHCGFSZSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662595217 413167497 /nfs/dbraw/zinc/16/74/97/413167497.db2.gz YNUACDPCODWAAU-VXGBXAGGSA-N 2 0 255.406 1.350 10 0 CDAERP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1CCOC1 ZINC000658074984 413173221 /nfs/dbraw/zinc/17/32/21/413173221.db2.gz GBRNHQUHPQEWMG-REWJHTLYSA-N 2 0 256.390 1.110 10 0 CDAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000394340609 397812476 /nfs/dbraw/zinc/81/24/76/397812476.db2.gz GJERASLGNAEHJD-XGUBFFRZSA-N 2 0 279.428 1.447 10 0 CDAERP [NH3+]C1CCC(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000037812774 398111219 /nfs/dbraw/zinc/11/12/19/398111219.db2.gz RILZOJUKOTYMHX-JXQTWKCFSA-N 2 0 265.401 1.201 10 0 CDAERP CCC[NH+]1CCC([NH2+]CC[C@@H](COC)OC)CC1 ZINC000658085024 413187454 /nfs/dbraw/zinc/18/74/54/413187454.db2.gz RHHNAFCKXMLBPD-AWEZNQCLSA-N 2 0 258.406 1.502 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+]1CCCC[C@@H]1C ZINC000104145024 147186994 /nfs/dbraw/zinc/18/69/94/147186994.db2.gz GMJDFKMNZUXBLI-LSDHHAIUSA-N 2 0 281.444 1.851 10 0 CDAERP CCCCC[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000117880149 147292456 /nfs/dbraw/zinc/29/24/56/147292456.db2.gz IKEFPAXCIQELNC-KRWDZBQOSA-N 2 0 297.487 1.903 10 0 CDAERP C[C@H](NC(=O)c1ccc(C[NH3+])cc1)C(C)(C)C[NH+](C)C ZINC000178817893 148091910 /nfs/dbraw/zinc/09/19/10/148091910.db2.gz NISRDUWWUDZCBT-LBPRGKRZSA-N 2 0 277.412 1.851 10 0 CDAERP Cc1ccc([C@@H](C)[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000038030903 292191015 /nfs/dbraw/zinc/19/10/15/292191015.db2.gz IRWDWRAYDDIHQT-CQSZACIVSA-N 2 0 275.396 1.420 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CC[NH2+]C[C@@H]2C)[C@H](C)C1 ZINC000423365051 286063650 /nfs/dbraw/zinc/06/36/50/286063650.db2.gz CTNYXJKERVPHAA-HZMVEIRTSA-N 2 0 297.487 1.711 10 0 CDAERP C([NH2+][C@H]1CCC[C@H]1[C@@H]1COCCN1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262016098 149001049 /nfs/dbraw/zinc/00/10/49/149001049.db2.gz VZLNTPLNFRCOJW-ORQFMDKSSA-N 2 0 293.455 1.217 10 0 CDAERP CCOC[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658137072 413228794 /nfs/dbraw/zinc/22/87/94/413228794.db2.gz GJSKNNALFABGMJ-WMLDXEAASA-N 2 0 292.423 1.768 10 0 CDAERP CC(C)(C)[N@@H+]1CCCN(C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000334926541 150091890 /nfs/dbraw/zinc/09/18/90/150091890.db2.gz DJERJVXFLVHKNR-CQSZACIVSA-N 2 0 296.459 1.644 10 0 CDAERP C[C@@H](C(=O)NC1CCCC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000334980914 150146935 /nfs/dbraw/zinc/14/69/35/150146935.db2.gz QUAKXIXOMISISZ-XJKSGUPXSA-N 2 0 279.428 1.509 10 0 CDAERP Cc1c(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cnn1C ZINC000335918782 151112402 /nfs/dbraw/zinc/11/24/02/151112402.db2.gz DRMRQNRSRKYMIS-FZMZJTMJSA-N 2 0 250.390 1.643 10 0 CDAERP CCC1(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCOCC1 ZINC000336022458 151204159 /nfs/dbraw/zinc/20/41/59/151204159.db2.gz VYJONMFQPUZNAT-ZIAGYGMSSA-N 2 0 252.402 1.735 10 0 CDAERP CCC[NH+]1CCC([NH2+]CCO[C@H]2CC2(F)F)CC1 ZINC000658164031 413258660 /nfs/dbraw/zinc/25/86/60/413258660.db2.gz ALWVOPWFXWUHLH-LBPRGKRZSA-N 2 0 262.344 1.875 10 0 CDAERP COc1ccc([C@H](CCO)[NH2+][C@@H]2CN(C)C[C@H]2C)cc1 ZINC000343098971 152030725 /nfs/dbraw/zinc/03/07/25/152030725.db2.gz TXZPLVPBXQLEKH-UHOFOFEASA-N 2 0 278.396 1.658 10 0 CDAERP C[C@@H](NC(=O)CC1CC[NH+](C)CC1)C(C)(C)C[NH+](C)C ZINC000347012819 153378828 /nfs/dbraw/zinc/37/88/28/153378828.db2.gz KQDWRPYNYMZORX-CYBMUJFWSA-N 2 0 283.460 1.811 10 0 CDAERP [NH3+]CCCC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000662686751 413311226 /nfs/dbraw/zinc/31/12/26/413311226.db2.gz PXBOQNSMHSHNSE-ZDUSSCGKSA-N 2 0 263.341 1.025 10 0 CDAERP Cc1cc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)on1 ZINC000353980242 156200134 /nfs/dbraw/zinc/20/01/34/156200134.db2.gz ANWPPSPSCLHINW-MPKXVKKWSA-N 2 0 251.374 1.844 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662693395 413329438 /nfs/dbraw/zinc/32/94/38/413329438.db2.gz VKUJQSXKDYIOHF-LBPRGKRZSA-N 2 0 267.417 1.508 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH2+]CC2CCC(O)CC2)[C@@H](C)C1 ZINC000658283282 413333292 /nfs/dbraw/zinc/33/32/92/413333292.db2.gz FCEIPYKBXNNHNG-VXGQWTEUSA-N 2 0 254.418 1.857 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCCN(C)C1=O ZINC000541319327 289489463 /nfs/dbraw/zinc/48/94/63/289489463.db2.gz MACOTNYWJWVHQA-OAHLLOKOSA-N 2 0 299.378 1.286 10 0 CDAERP Cc1ccc([C@@H](CNC(=O)CC2([NH3+])CC2)[NH+]2CCCC2)o1 ZINC000662712205 413362917 /nfs/dbraw/zinc/36/29/17/413362917.db2.gz QJHCJZAHMBPURF-CYBMUJFWSA-N 2 0 291.395 1.723 10 0 CDAERP CC[C@@H](C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2)[NH+](CC)CC ZINC000359784016 158375260 /nfs/dbraw/zinc/37/52/60/158375260.db2.gz CRHPKWMTPDSJPI-LSDHHAIUSA-N 2 0 281.444 1.659 10 0 CDAERP CC[C@@](C)(O)C[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000660697705 413382207 /nfs/dbraw/zinc/38/22/07/413382207.db2.gz IZCBVRXCBYTXCA-CQSZACIVSA-N 2 0 272.433 1.220 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000662731551 413394774 /nfs/dbraw/zinc/39/47/74/413394774.db2.gz GHMITJZROIQYJQ-HUUCEWRRSA-N 2 0 299.459 1.269 10 0 CDAERP C[NH+]1CCC(CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC000362692950 159214885 /nfs/dbraw/zinc/21/48/85/159214885.db2.gz LWOLXEXPAXSBNO-UHFFFAOYSA-N 2 0 267.417 1.176 10 0 CDAERP O[C@H]1C[N@H+](CCCCC[NH+]2C[C@@H](O)C3(CC3)C2)CC12CC2 ZINC000372289483 160102022 /nfs/dbraw/zinc/10/20/22/160102022.db2.gz PHVSPPYABYMOCW-GASCZTMLSA-N 2 0 294.439 1.070 10 0 CDAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000372891289 160156036 /nfs/dbraw/zinc/15/60/36/160156036.db2.gz MPONTERSNJIIPU-GXTWGEPZSA-N 2 0 290.411 1.140 10 0 CDAERP C[NH+](C)CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001587102042 1172972186 /nfs/dbraw/zinc/97/21/86/1172972186.db2.gz JNVJYNXYKYRCAV-CVEARBPZSA-N 2 0 289.423 1.400 10 0 CDAERP CC(C)C[C@@H]([NH3+])c1noc(-c2c[nH]nc2[C@@H]2CC[NH2+]C2)n1 ZINC000656560425 413437000 /nfs/dbraw/zinc/43/70/00/413437000.db2.gz XMIQAZHBOJFXMQ-MWLCHTKSSA-N 2 0 290.371 1.583 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)c1ccc(C[NH3+])o1 ZINC000653211482 412140357 /nfs/dbraw/zinc/14/03/57/412140357.db2.gz ZPFIJRFPKRAENX-UHFFFAOYSA-N 2 0 273.336 1.388 10 0 CDAERP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000653167412 412104046 /nfs/dbraw/zinc/10/40/46/412104046.db2.gz SWJWTWQMGAZMSS-IMJJTQAJSA-N 2 0 287.407 1.589 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)CC1([NH3+])CCC1 ZINC000653175951 412116543 /nfs/dbraw/zinc/11/65/43/412116543.db2.gz GUQQPHRFWFHGFD-UHFFFAOYSA-N 2 0 255.406 1.352 10 0 CDAERP [NH3+]CC1(CCNC(=O)c2ccc3c(c2)CC[NH2+]CC3)CC1 ZINC000653221205 412148112 /nfs/dbraw/zinc/14/81/12/412148112.db2.gz MRNYUINELMGSRZ-UHFFFAOYSA-N 2 0 287.407 1.234 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[C@H](C)[NH2+]1 ZINC000034651150 171846631 /nfs/dbraw/zinc/84/66/31/171846631.db2.gz KZYBDFYERKXRQH-XQQFMLRXSA-N 2 0 253.390 1.118 10 0 CDAERP C[NH+](C)CCN(CC1CCCCC1)C(=O)CC1([NH3+])CC1 ZINC000662788438 413499054 /nfs/dbraw/zinc/49/90/54/413499054.db2.gz NFEURFKAVUTHMC-UHFFFAOYSA-N 2 0 281.444 1.838 10 0 CDAERP [NH3+]CCC[C@@H](NC(=O)CC1([NH3+])CC1)c1ccccc1 ZINC000662814698 413535328 /nfs/dbraw/zinc/53/53/28/413535328.db2.gz LNXXDBQWXFGGPT-CYBMUJFWSA-N 2 0 261.369 1.464 10 0 CDAERP [NH3+]C[C@@H]1CCCc2ccc(C(=O)NCC3=CC[NH2+]CC3)cc21 ZINC000659306854 413698095 /nfs/dbraw/zinc/69/80/95/413698095.db2.gz ISUYOTGDTNXQJM-INIZCTEOSA-N 2 0 299.418 1.715 10 0 CDAERP [NH3+][C@@H](CC1CCCCC1)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659388530 413773328 /nfs/dbraw/zinc/77/33/28/413773328.db2.gz JTMSJWBSFUTDLV-FRRDWIJNSA-N 2 0 271.380 1.182 10 0 CDAERP CC1CC[NH+](CCCNC(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659432274 413814719 /nfs/dbraw/zinc/81/47/19/413814719.db2.gz URTXLWSQKHOQDF-UHFFFAOYSA-N 2 0 294.443 1.160 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659451072 413837517 /nfs/dbraw/zinc/83/75/17/413837517.db2.gz AGBJZLVCJWJPEP-KKNUOHPOSA-N 2 0 294.443 1.382 10 0 CDAERP CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]CC[C@H]2CCC[N@@H+]2C)C1 ZINC000661219045 413898241 /nfs/dbraw/zinc/89/82/41/413898241.db2.gz MMBHTLAJCJRCBD-JJXSEGSLSA-N 2 0 284.444 1.626 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407410281 413952683 /nfs/dbraw/zinc/95/26/83/413952683.db2.gz VRMXZRKFLUSGCF-VNQPRFMTSA-N 2 0 293.455 1.898 10 0 CDAERP COC[C@@H](CC[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)OC ZINC000665234387 413959896 /nfs/dbraw/zinc/95/98/96/413959896.db2.gz CAMAKUMSGKLUNB-SMDDNHRTSA-N 2 0 281.400 1.551 10 0 CDAERP COC[C@@H]([NH2+][C@H](C)CCCC[NH3+])C1CCOCC1 ZINC000665236938 413967786 /nfs/dbraw/zinc/96/77/86/413967786.db2.gz WTWINCRDYXJDRX-TZMCWYRMSA-N 2 0 258.406 1.535 10 0 CDAERP CC[C@H]1CC[C@@H]1[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000665288956 414024400 /nfs/dbraw/zinc/02/44/00/414024400.db2.gz BRQQMDXRTHXSJY-ZFWWWQNUSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000659620043 414029930 /nfs/dbraw/zinc/02/99/30/414029930.db2.gz YEYJXGHQVRWFJA-SOUVJXGZSA-N 2 0 296.459 1.391 10 0 CDAERP C[NH2+]Cc1cc(F)ccc1N1CCC[N@H+](C)CC1 ZINC000037236450 173053935 /nfs/dbraw/zinc/05/39/35/173053935.db2.gz TZGMSRDJZZWFIF-UHFFFAOYSA-N 2 0 251.349 1.687 10 0 CDAERP CN(C[C@H]1CCC[N@@H+]1C)C(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000661410093 414066259 /nfs/dbraw/zinc/06/62/59/414066259.db2.gz QMMWAPBBZIVFKZ-ZIAGYGMSSA-N 2 0 296.459 1.595 10 0 CDAERP CC(C)[NH+]1CCN(CCC[NH+]2C[C@@H](C)C(=O)[C@H](C)C2)CC1 ZINC000661544807 414161587 /nfs/dbraw/zinc/16/15/87/414161587.db2.gz KNILCKLBWZVXFN-HZPDHXFCSA-N 2 0 295.471 1.559 10 0 CDAERP O[C@@H]1CCC[C@H](C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657374064 414238149 /nfs/dbraw/zinc/23/81/49/414238149.db2.gz IDYFZOBGKXIWMT-XJKSGUPXSA-N 2 0 286.379 1.908 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CC[NH+](C3CC3)CC2)C1 ZINC000659857874 414191735 /nfs/dbraw/zinc/19/17/35/414191735.db2.gz UQLCKVRYVZLSAR-GASCZTMLSA-N 2 0 265.445 1.744 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000655804912 414198532 /nfs/dbraw/zinc/19/85/32/414198532.db2.gz FXGIHBDHYRGCAX-BYNSBNAKSA-N 3 0 251.418 1.543 10 0 CDAERP O=C1NCC[C@@H]1[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000663462030 414268143 /nfs/dbraw/zinc/26/81/43/414268143.db2.gz STBHGDNOIGHQHZ-HNNXBMFYSA-N 2 0 273.380 1.129 10 0 CDAERP C(c1nc2c(s1)C[NH2+]CC2)N(C1CC1)C1CC[NH2+]CC1 ZINC000663494386 414288843 /nfs/dbraw/zinc/28/88/43/414288843.db2.gz ITXGZEGFOGRLJH-UHFFFAOYSA-N 2 0 292.452 1.505 10 0 CDAERP C(c1nc2c(s1)C[NH2+]CC2)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000663493417 414290310 /nfs/dbraw/zinc/29/03/10/414290310.db2.gz BLPQANAWZSUHDG-MNOVXSKESA-N 2 0 278.425 1.115 10 0 CDAERP CC(C)[C@@H]([NH3+])CCN(C)Cc1nc2c(s1)C[NH2+]CC2 ZINC000663496395 414292323 /nfs/dbraw/zinc/29/23/23/414292323.db2.gz VRBYAWNKRMQELF-NSHDSACASA-N 2 0 282.457 1.594 10 0 CDAERP C(c1nc2c(s1)C[NH2+]CC2)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000663496784 414292664 /nfs/dbraw/zinc/29/26/64/414292664.db2.gz YOYDFVNXKLGOBA-LLVKDONJSA-N 2 0 278.425 1.115 10 0 CDAERP C[C@H]1CCCN(Cc2nc3c(s2)C[NH2+]CC3)[C@@H]1C[NH3+] ZINC000663496570 414293911 /nfs/dbraw/zinc/29/39/11/414293911.db2.gz WNONWFBKDNDAQT-CMPLNLGQSA-N 2 0 280.441 1.348 10 0 CDAERP C(C[NH2+]Cc1nc2c(s1)C[NH2+]CC2)C[C@H]1CCC[NH2+]1 ZINC000663496015 414294090 /nfs/dbraw/zinc/29/40/90/414294090.db2.gz CAAPIFGQFGZXGE-NSHDSACASA-N 3 0 280.441 1.411 10 0 CDAERP FC1(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000657537869 414421739 /nfs/dbraw/zinc/42/17/39/414421739.db2.gz UZMINGXNDGKBOC-UHFFFAOYSA-N 2 0 270.392 1.969 10 0 CDAERP C(CC[N@@H+]1CCC2(COC2)C1)C[NH+]1CCC2(COC2)C1 ZINC000662073825 414500156 /nfs/dbraw/zinc/50/01/56/414500156.db2.gz OHOFMPLLKRJTGZ-UHFFFAOYSA-N 2 0 280.412 1.211 10 0 CDAERP C[C@@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C[C@H](C)S1 ZINC000662255446 414590080 /nfs/dbraw/zinc/59/00/80/414590080.db2.gz YOZPPLWZVTUYLU-TUAOUCFPSA-N 2 0 256.415 1.333 10 0 CDAERP COC[C@H](C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)OC ZINC000662292517 414618555 /nfs/dbraw/zinc/61/85/55/414618555.db2.gz FURMBXQKOKIZAW-GJZGRUSLSA-N 2 0 270.417 1.359 10 0 CDAERP CC[C@H](c1ccc(C)cc1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038030935 174023829 /nfs/dbraw/zinc/02/38/29/174023829.db2.gz WKASDGHGZLMXEV-MRXNPFEDSA-N 2 0 289.423 1.810 10 0 CDAERP COc1ccc([C@H](C[NH3+])C[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)cc1 ZINC000662310616 414632055 /nfs/dbraw/zinc/63/20/55/414632055.db2.gz LQIFCKQEQWJFPB-BFYDXBDKSA-N 2 0 290.407 1.706 10 0 CDAERP [NH3+][C@@H](C(=O)N1CCC([NH+]2CCCC2)CC1)c1ccccc1 ZINC000038101734 174117871 /nfs/dbraw/zinc/11/78/71/174117871.db2.gz PCXGDRSSHZDMSU-MRXNPFEDSA-N 2 0 287.407 1.773 10 0 CDAERP COCCCCC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662321486 414640788 /nfs/dbraw/zinc/64/07/88/414640788.db2.gz JFAWFXIQQDBDML-HNNXBMFYSA-N 2 0 272.433 1.846 10 0 CDAERP CC[C@H](C)[NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000040419931 174257185 /nfs/dbraw/zinc/25/71/85/174257185.db2.gz BLIWUFWTZLJQDD-ZFWWWQNUSA-N 2 0 277.412 1.794 10 0 CDAERP CCC(CC)[C@@H](CNC(=O)CC[NH2+]C1CC1)[NH+](C)C ZINC000040831496 174413482 /nfs/dbraw/zinc/41/34/82/174413482.db2.gz BPWPYVXVWPXVAY-CQSZACIVSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@@H]1CCC[C@](CN[C@@H]2CCC[NH2+]C2)([NH+](C)C)C1 ZINC000043327464 175008780 /nfs/dbraw/zinc/00/87/80/175008780.db2.gz XIPSPLOOXOPAPG-KFWWJZLASA-N 2 0 253.434 1.839 10 0 CDAERP CC[C@H]([NH3+])[C@@H](N1CCC[N@H+](C)CC1)C(F)(F)F ZINC000043376796 175030130 /nfs/dbraw/zinc/03/01/30/175030130.db2.gz RRQTUPWRABAPQY-VHSXEESVSA-N 2 0 253.312 1.292 10 0 CDAERP CC[NH+]1CCN([C@H]2CCCCCC[C@H]2[NH2+]C)CC1 ZINC000043805757 175107616 /nfs/dbraw/zinc/10/76/16/175107616.db2.gz KEAGCAQGUDYGHL-CABCVRRESA-N 2 0 253.434 1.935 10 0 CDAERP Cc1cccc(OC[C@@H](O)C[NH2+]CC2CC[NH+](C)CC2)c1 ZINC000044518248 175191045 /nfs/dbraw/zinc/19/10/45/175191045.db2.gz CHAOVLSXQNGSCC-INIZCTEOSA-N 2 0 292.423 1.666 10 0 CDAERP C[N@@H+]1CC[C@H](NC(=O)C2(C[NH3+])CCCCCC2)C1 ZINC000044763525 175247659 /nfs/dbraw/zinc/24/76/59/175247659.db2.gz BRNNKBVAFCLTEF-LBPRGKRZSA-N 2 0 253.390 1.106 10 0 CDAERP [NH3+]C[C@H](Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044808506 175257160 /nfs/dbraw/zinc/25/71/60/175257160.db2.gz HDYSMUDDEPDQON-GJZGRUSLSA-N 2 0 287.407 1.157 10 0 CDAERP C[C@H](CNC(=O)Nc1ccc([C@H](C)[NH3+])cc1)[NH+](C)C ZINC000045114012 175311295 /nfs/dbraw/zinc/31/12/95/175311295.db2.gz QZHCGOWLCAVMKN-MNOVXSKESA-N 2 0 264.373 1.778 10 0 CDAERP CC[NH2+][C@@](C)(CC[NH+]1CCC(C[NH+](C)C)CC1)C(=O)[O-] ZINC000045277069 175346657 /nfs/dbraw/zinc/34/66/57/175346657.db2.gz YVSFLEVPPCJKJB-HNNXBMFYSA-N 2 0 285.432 1.103 10 0 CDAERP CCC[NH2+][C@](C)(CCC[N@H+](CC)C(C)C)C(N)=O ZINC000045383873 175371131 /nfs/dbraw/zinc/37/11/31/175371131.db2.gz FFHZPOMWBCWQIU-CQSZACIVSA-N 2 0 257.422 1.741 10 0 CDAERP CCOC(=O)[C@](C)([NH3+])CCCN1CCC([NH+](C)C)CC1 ZINC000045392517 175375948 /nfs/dbraw/zinc/37/59/48/175375948.db2.gz WVPYYZZPBFHDSY-OAHLLOKOSA-N 2 0 285.432 1.073 10 0 CDAERP C[NH2+][C@](C)(CCC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(N)=O ZINC000045419350 175377801 /nfs/dbraw/zinc/37/78/01/175377801.db2.gz JHJFCAPFEWXVJD-SQWLQELKSA-N 2 0 281.444 1.742 10 0 CDAERP CCC[NH2+][C@@H]1CCCN(C[C@@H](C)C[NH+]2CCCC2)C1=O ZINC000071031233 176022537 /nfs/dbraw/zinc/02/25/37/176022537.db2.gz REDHOUNHVKMSOH-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)[NH2+][C@@H]1CCCN(CC(C)(C)[NH+](C)C)C1=O ZINC000071031576 176023050 /nfs/dbraw/zinc/02/30/50/176023050.db2.gz NMAWBFMEWWVDCC-GFCCVEGCSA-N 2 0 255.406 1.316 10 0 CDAERP CC[NH+](CC)C[C@H](C)N1CCC[C@H]([NH2+]C2CC2)C1=O ZINC000071034755 176024922 /nfs/dbraw/zinc/02/49/22/176024922.db2.gz QRSYEIRFVAYJPA-JSGCOSHPSA-N 2 0 267.417 1.460 10 0 CDAERP C[C@@H](CN1CC[C@@H]([NH2+]C2CC2)C1=O)[NH+]1CCCCC1 ZINC000071036367 176025252 /nfs/dbraw/zinc/02/52/52/176025252.db2.gz VSFKIJFJWYFJSV-GXTWGEPZSA-N 2 0 265.401 1.214 10 0 CDAERP CCC[NH2+][C@@H]1CCCN(CC[NH+](CC)CC)C1=O ZINC000071035482 176025298 /nfs/dbraw/zinc/02/52/98/176025298.db2.gz BNCYIYSWAGJMQQ-CYBMUJFWSA-N 2 0 255.406 1.319 10 0 CDAERP C[NH2+][C@H]1CCN(CCC[N@@H+]2CCCC[C@@H]2C)C1=O ZINC000071037905 176026845 /nfs/dbraw/zinc/02/68/45/176026845.db2.gz XISLKPFQZHHOOV-STQMWFEESA-N 2 0 253.390 1.071 10 0 CDAERP CCC[NH2+][C@@H]1CCCN(CC[N@H+](C)C2CCCC2)C1=O ZINC000071043702 176029918 /nfs/dbraw/zinc/02/99/18/176029918.db2.gz ZEUWUGXRUFOCGH-OAHLLOKOSA-N 2 0 281.444 1.851 10 0 CDAERP CC[C@@H]1CCC[C@H]([NH+]2CCN([C@@H](C)C[NH3+])CC2)C1 ZINC000071147661 176043661 /nfs/dbraw/zinc/04/36/61/176043661.db2.gz UEBBDYSSCBKLRU-ZNMIVQPWSA-N 2 0 253.434 1.920 10 0 CDAERP CC[C@@H]1CCCC[C@]1(C[NH3+])N1CCN(CC[NH+](C)C)CC1 ZINC000071162134 176046734 /nfs/dbraw/zinc/04/67/34/176046734.db2.gz RJGGSQNOAMILHL-IAGOWNOFSA-N 2 0 296.503 1.463 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1ccc(C[NH3+])cc1 ZINC000071188023 176061168 /nfs/dbraw/zinc/06/11/68/176061168.db2.gz QDDVACFYHSBLEN-CYBMUJFWSA-N 2 0 261.369 1.169 10 0 CDAERP COc1ccc([C@H](C[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000071188021 176062041 /nfs/dbraw/zinc/06/20/41/176062041.db2.gz QDMOSECNXIAMDA-CJNGLKHVSA-N 2 0 277.412 1.579 10 0 CDAERP C[C@H]([NH3+])[C@@H](c1ccncc1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188134 176062524 /nfs/dbraw/zinc/06/25/24/176062524.db2.gz JYIGAILHVNHGBA-GUTXKFCHSA-N 2 0 262.401 1.353 10 0 CDAERP CN(Cc1cc(C[NH3+])ccc1F)C[C@H]1CC[N@H+](C)C1 ZINC000071188298 176062569 /nfs/dbraw/zinc/06/25/69/176062569.db2.gz FFSKKFGIEPUKHB-ZDUSSCGKSA-N 2 0 265.376 1.668 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)[C@@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC000071188725 176063698 /nfs/dbraw/zinc/06/36/98/176063698.db2.gz QIFWZWVDYVXHLT-WQVCFCJDSA-N 2 0 259.397 1.495 10 0 CDAERP CC[C@H]1CC[C@@H](O)[C@H]([N@H+](C)C[C@@H]2CC[NH+](C)C2)C1 ZINC000071190606 176066650 /nfs/dbraw/zinc/06/66/50/176066650.db2.gz HQDYPIRCXWVZNR-GBJTYRQASA-N 2 0 254.418 1.810 10 0 CDAERP C[N@H+](C[C@@H]1CC[NH+](C)C1)CC1(CO)CCCCC1 ZINC000071191549 176070047 /nfs/dbraw/zinc/07/00/47/176070047.db2.gz ONHVPZJJSNXDFT-CQSZACIVSA-N 2 0 254.418 1.813 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)c1ncc(C[NH3+])cc1Cl ZINC000071191771 176070986 /nfs/dbraw/zinc/07/09/86/176070986.db2.gz HZNLVVGRQQRSJA-SNVBAGLBSA-N 2 0 268.792 1.582 10 0 CDAERP CCC[NH2+]Cc1cccc(N(C)C[C@H]2CC[N@H+](C)C2)n1 ZINC000071191765 176072206 /nfs/dbraw/zinc/07/22/06/176072206.db2.gz GFDQIWKIQUFOHS-AWEZNQCLSA-N 2 0 276.428 1.969 10 0 CDAERP C[NH2+]Cc1ccccc1CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192078 176073161 /nfs/dbraw/zinc/07/31/61/176073161.db2.gz RSULYOSHTMPYCF-CQSZACIVSA-N 2 0 261.413 1.790 10 0 CDAERP CN(CC[NH2+]CCC(C)(C)C)C[C@H]1CC[N@H+](C)C1 ZINC000071192401 176073309 /nfs/dbraw/zinc/07/33/09/176073309.db2.gz VXXHDSIRGDCPJQ-AWEZNQCLSA-N 2 0 255.450 1.896 10 0 CDAERP CN(CCC[NH2+]C1CCCC1)C[C@H]1CC[N@H+](C)C1 ZINC000071192210 176073416 /nfs/dbraw/zinc/07/34/16/176073416.db2.gz XVPWWCNVMIRIKB-CQSZACIVSA-N 2 0 253.434 1.792 10 0 CDAERP COC1CC[NH+](Cc2ccc(F)cc2C(N)=[NH2+])CC1 ZINC000071267656 176101064 /nfs/dbraw/zinc/10/10/64/176101064.db2.gz DAIOYNHKLWMNRK-UHFFFAOYSA-N 2 0 265.332 1.721 10 0 CDAERP COc1cccc(C[N@H+](C)CC2CC[NH+](CCO)CC2)c1 ZINC000071877583 176286578 /nfs/dbraw/zinc/28/65/78/176286578.db2.gz HXEJPCIUYOCUQH-UHFFFAOYSA-N 2 0 292.423 1.831 10 0 CDAERP C[C@H](NC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)C(C)(C)C[NH+](C)C ZINC000417855350 226652982 /nfs/dbraw/zinc/65/29/82/226652982.db2.gz KZOLLCPZBBWUDM-IHRRRGAJSA-N 2 0 296.459 1.356 10 0 CDAERP C[C@@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)CC1 ZINC001666318578 1173125713 /nfs/dbraw/zinc/12/57/13/1173125713.db2.gz JMKXWSSMBRMIQB-RBSFLKMASA-N 2 0 299.459 1.116 10 0 CDAERP c1cncc([C@H]2C[NH2+]CCN2CC[C@@H]2CC[NH2+]C2)c1 ZINC000517567435 260193609 /nfs/dbraw/zinc/19/36/09/260193609.db2.gz OIKJMDZADVZAKO-DZGCQCFKSA-N 2 0 260.385 1.028 10 0 CDAERP C[NH+](C)C1(C(=O)NCC2([NH2+]CCCF)CCCC2)CCC1 ZINC001666767950 1173183730 /nfs/dbraw/zinc/18/37/30/1173183730.db2.gz ZAJJLZCEXZRRNC-UHFFFAOYSA-N 2 0 299.434 1.849 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001666870095 1173197496 /nfs/dbraw/zinc/19/74/96/1173197496.db2.gz HYKLQSWZSXEUMA-KGLIPLIRSA-N 2 0 269.433 1.563 10 0 CDAERP CNC(=O)CCC[N@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000662279582 423862829 /nfs/dbraw/zinc/86/28/29/423862829.db2.gz VXUXZGNTDPVLAB-UHFFFAOYSA-N 2 0 275.396 1.290 10 0 CDAERP O=C(CC[NH2+]C1CC1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000655450227 423875383 /nfs/dbraw/zinc/87/53/83/423875383.db2.gz GYRZEDVAGULBSZ-GXTWGEPZSA-N 2 0 265.401 1.119 10 0 CDAERP C[C@@H]1CC2(C[N@@H+]1CCO[C@@H]1CC1(F)F)CC[NH2+]CC2 ZINC000662283058 423883352 /nfs/dbraw/zinc/88/33/52/423883352.db2.gz KCEBQCGYZSBWFC-VXGBXAGGSA-N 2 0 274.355 1.875 10 0 CDAERP COC[C@H](C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)OC ZINC000662278032 423852565 /nfs/dbraw/zinc/85/25/65/423852565.db2.gz ZLVXKTLPLOLKBV-MELADBBJSA-N 2 0 256.390 1.112 10 0 CDAERP CC(C)NC(=O)[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000662316077 423947940 /nfs/dbraw/zinc/94/79/40/423947940.db2.gz IEEGCFXOPQZDOR-HUUCEWRRSA-N 2 0 281.444 1.613 10 0 CDAERP Oc1ccc2c(c1)C[N@@H+](CCC1CC[NH2+]CC1)CCO2 ZINC000662317435 423950455 /nfs/dbraw/zinc/95/04/55/423950455.db2.gz PHZNKXVEISYAGC-UHFFFAOYSA-N 2 0 276.380 1.976 10 0 CDAERP CCC(CC)CCC[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000662317766 423952453 /nfs/dbraw/zinc/95/24/53/423952453.db2.gz RWALHLCHHLLCEQ-UHFFFAOYSA-N 2 0 283.460 1.957 10 0 CDAERP C[C@@H]1CCC[C@@H](CCNC(=O)[C@H](N)CC[NH+](C)C)C1 ZINC000653089964 423918809 /nfs/dbraw/zinc/91/88/09/423918809.db2.gz ZZBJJODORLVHSF-HZSPNIEDSA-N 2 0 269.433 1.598 10 0 CDAERP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCCC1(C[NH3+])CC1 ZINC000652154693 423976687 /nfs/dbraw/zinc/97/66/87/423976687.db2.gz MICVFZCWSKRVHJ-AWEZNQCLSA-N 2 0 296.459 1.679 10 0 CDAERP CCNC(=O)CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047973023 424050710 /nfs/dbraw/zinc/05/07/10/424050710.db2.gz CHMDEUYUXIRBQL-UHFFFAOYSA-N 2 0 267.417 1.320 10 0 CDAERP [NH3+]CC1(CCNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC1 ZINC000652242055 424122469 /nfs/dbraw/zinc/12/24/69/424122469.db2.gz QKCJSSGEMBQTGX-AWEZNQCLSA-N 2 0 294.443 1.385 10 0 CDAERP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NCCC1(C[NH3+])CC1 ZINC000652240858 424122529 /nfs/dbraw/zinc/12/25/29/424122529.db2.gz NORVMGHLJGHCIC-CQSZACIVSA-N 2 0 296.459 1.631 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653109878 424272807 /nfs/dbraw/zinc/27/28/07/424272807.db2.gz PTGSYQCDBANFLY-KGLIPLIRSA-N 2 0 267.417 1.367 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CC[NH+]2C(C)(C)C)C1 ZINC000660837249 424289113 /nfs/dbraw/zinc/28/91/13/424289113.db2.gz MRBPKRFBEXIMFR-QWHCGFSZSA-N 2 0 282.432 1.253 10 0 CDAERP CN(C(=O)C[C@@H]1CCC[C@H]1[NH3+])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000653125880 424318068 /nfs/dbraw/zinc/31/80/68/424318068.db2.gz AOVQNPXBXRPEOL-BEUHCMRWSA-N 2 0 265.401 1.245 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000653126292 424321197 /nfs/dbraw/zinc/32/11/97/424321197.db2.gz RMKKXXCRXPJHEJ-BYNSBNAKSA-N 2 0 279.428 1.495 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](C3CCC3)CC2)C1 ZINC000652417630 424408939 /nfs/dbraw/zinc/40/89/39/424408939.db2.gz DWCVKRWTTJKENP-CQSZACIVSA-N 2 0 294.443 1.397 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000659619663 424415886 /nfs/dbraw/zinc/41/58/86/424415886.db2.gz QMPWSZKEEJCYIH-CABCVRRESA-N 2 0 296.459 1.533 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[NH+]3CCCC[C@H]23)CC[N@@H+]1C ZINC000655352062 424486294 /nfs/dbraw/zinc/48/62/94/424486294.db2.gz WDEPKUWOGAWGIB-YHUYYLMFSA-N 2 0 293.455 1.850 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000655489429 424508001 /nfs/dbraw/zinc/50/80/01/424508001.db2.gz RLCRCYCPEDYJTO-IMJJTQAJSA-N 2 0 289.423 1.923 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662790272 424471821 /nfs/dbraw/zinc/47/18/21/424471821.db2.gz BRZQCFXWZHZJGU-ZDUSSCGKSA-N 2 0 281.444 1.898 10 0 CDAERP C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000665366320 424557024 /nfs/dbraw/zinc/55/70/24/424557024.db2.gz WIWKSNBUYYKTIG-ZIAGYGMSSA-N 2 0 296.459 1.595 10 0 CDAERP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N(C)CC1C[NH+](C)C1 ZINC000661892538 424637867 /nfs/dbraw/zinc/63/78/67/424637867.db2.gz AAVARHKLXVFSMB-CQSZACIVSA-N 2 0 296.459 1.310 10 0 CDAERP C[C@H](CNC(=O)CC[C@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000310843230 424598411 /nfs/dbraw/zinc/59/84/11/424598411.db2.gz ODUZMCRPVJYAAA-CHWSQXEVSA-N 2 0 253.390 1.119 10 0 CDAERP CCCC[NH2+][C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C(C)C ZINC001667494278 1173276011 /nfs/dbraw/zinc/27/60/11/1173276011.db2.gz UXQNMGWKAVKHLM-GJZGRUSLSA-N 2 0 283.460 1.859 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000257737507 270307688 /nfs/dbraw/zinc/30/76/88/270307688.db2.gz WGMWXALALSXWFS-HZSPNIEDSA-N 2 0 267.417 1.495 10 0 CDAERP CC(C)(C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])C(=O)N1CCCC1 ZINC000530220712 271161638 /nfs/dbraw/zinc/16/16/38/271161638.db2.gz CEHNWODTBDZDER-KGLIPLIRSA-N 2 0 281.444 1.742 10 0 CDAERP C1C[C@@H]([C@@H]2CCC[C@H]([NH2+]C3CC[NH2+]CC3)C2)CO1 ZINC000423190557 275414896 /nfs/dbraw/zinc/41/48/96/275414896.db2.gz SPWHNRBTKTXZHI-NFAWXSAZSA-N 2 0 252.402 1.923 10 0 CDAERP C(CN1CC[NH2+]CC1)[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000414862795 275723922 /nfs/dbraw/zinc/72/39/22/275723922.db2.gz HYTABYWILVBOJU-LSDHHAIUSA-N 2 0 251.418 1.450 10 0 CDAERP C([NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1)[C@H]1C[NH2+]CCCO1 ZINC000423488590 275726079 /nfs/dbraw/zinc/72/60/79/275726079.db2.gz DZKUEUWVBNWLSV-LVQVYYBASA-N 2 0 282.428 1.550 10 0 CDAERP CCC[NH+]1CCC([NH2+][C@H]2CCc3nc[nH]c3C2)CC1 ZINC000368101493 276004731 /nfs/dbraw/zinc/00/47/31/276004731.db2.gz KQKFZUMXNGHKJP-ZDUSSCGKSA-N 2 0 262.401 1.731 10 0 CDAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](Cn2cccn2)C(C)C)C1 ZINC000336809760 276212801 /nfs/dbraw/zinc/21/28/01/276212801.db2.gz WQRVUDSXLSUBJE-LSDHHAIUSA-N 2 0 264.417 1.839 10 0 CDAERP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(C)(C)C)C2)CC1 ZINC000093133384 276386155 /nfs/dbraw/zinc/38/61/55/276386155.db2.gz AVMXDRKZVSSALA-CQSZACIVSA-N 2 0 253.434 1.744 10 0 CDAERP C[NH+]1CCN(CCC[NH2+][C@H]2CCCc3n[nH]cc32)CC1 ZINC000367618708 277105652 /nfs/dbraw/zinc/10/56/52/277105652.db2.gz UGAGJBZLEXKBNS-AWEZNQCLSA-N 2 0 277.416 1.014 10 0 CDAERP CC(C)(C)NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063199722 277165614 /nfs/dbraw/zinc/16/56/14/277165614.db2.gz WUXBCRUJTJWVRX-CYBMUJFWSA-N 2 0 267.417 1.365 10 0 CDAERP C[N@@H+]1CC[C@H](NC(=O)NC(C)(C)C[NH3+])[C@@H]1c1ccccc1 ZINC000417935248 277166201 /nfs/dbraw/zinc/16/62/01/277166201.db2.gz GLXQENYBNAUEIW-KBPBESRZSA-N 2 0 290.411 1.468 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(C3CC3)C2)[C@H]2CCC[C@@H]21 ZINC000353620941 277172803 /nfs/dbraw/zinc/17/28/03/277172803.db2.gz KVIHCAYUYYWKJT-RZFFKMDDSA-N 2 0 277.412 1.212 10 0 CDAERP COCC[N@@H+]1CCC[C@@H]1CN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422702542 277221874 /nfs/dbraw/zinc/22/18/74/277221874.db2.gz KYVCVGQPOPBJIS-RRFJBIMHSA-N 2 0 269.433 1.217 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000232801331 278220276 /nfs/dbraw/zinc/22/02/76/278220276.db2.gz POXPZNUWUKPKIN-HUUCEWRRSA-N 2 0 293.455 1.851 10 0 CDAERP CC(C)(C)[NH2+]CCN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415041248 278369364 /nfs/dbraw/zinc/36/93/64/278369364.db2.gz LFOGUKJHYGXOOZ-ZIAGYGMSSA-N 2 0 253.434 1.839 10 0 CDAERP CC(C)(C)[C@H]([NH3+])C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000371226567 278525851 /nfs/dbraw/zinc/52/58/51/278525851.db2.gz BWEZZXLTXDGQCB-YNEHKIRRSA-N 2 0 267.417 1.350 10 0 CDAERP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)C1CCOCC1 ZINC000151348942 289963277 /nfs/dbraw/zinc/96/32/77/289963277.db2.gz WQCIWCRHPMHIDQ-DZGCQCFKSA-N 2 0 270.417 1.238 10 0 CDAERP CC(C)C[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000371238922 279175309 /nfs/dbraw/zinc/17/53/09/279175309.db2.gz YESMUZQAAKVMJK-HZSPNIEDSA-N 2 0 267.417 1.350 10 0 CDAERP CC(C)[NH+](CCC[N@@H+](C[C@@H](C)O)C(C)C)C[C@@H](C)O ZINC000077283492 279229732 /nfs/dbraw/zinc/22/97/32/279229732.db2.gz RLFGDTMCHXYIQO-HUUCEWRRSA-N 2 0 274.449 1.559 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H](C)[NH+](C)C1CC1 ZINC000176329866 279298129 /nfs/dbraw/zinc/29/81/29/279298129.db2.gz FYLYTNWXCOURJC-UKRRQHHQSA-N 2 0 296.459 1.595 10 0 CDAERP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@H]1CCC[NH+]1C ZINC000357971752 279367793 /nfs/dbraw/zinc/36/77/93/279367793.db2.gz HYLZDWLMUGKSIV-OLZOCXBDSA-N 2 0 270.421 1.109 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CC2(C(=O)OC)CC2)C[C@@H]1C ZINC000450469351 279397721 /nfs/dbraw/zinc/39/77/21/279397721.db2.gz QYGDBNCTJKOSFK-QWHCGFSZSA-N 2 0 268.401 1.744 10 0 CDAERP CC(C)[C@H](CNC(=O)NCCC[NH3+])[NH+]1CCC(C)CC1 ZINC000417010476 280245777 /nfs/dbraw/zinc/24/57/77/280245777.db2.gz PDRDMQFOHORFEF-AWEZNQCLSA-N 2 0 284.448 1.391 10 0 CDAERP CCN(CC[NH2+]CC1CC1)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001668477621 1173417183 /nfs/dbraw/zinc/41/71/83/1173417183.db2.gz GOVQNLZSRBPBOA-MRXNPFEDSA-N 2 0 295.471 1.955 10 0 CDAERP Cc1cc(C)n2c(C[NH2+][C@H](C)[C@H]3CCC[NH2+]C3)cnc2n1 ZINC000514782038 280847358 /nfs/dbraw/zinc/84/73/58/280847358.db2.gz JZHSSJSXODMNIF-KGLIPLIRSA-N 2 0 287.411 1.824 10 0 CDAERP O=C(C[NH2+]CC1CC1)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000519814181 281042280 /nfs/dbraw/zinc/04/22/80/281042280.db2.gz VNBHGPHRJGXOAR-UHFFFAOYSA-N 2 0 294.424 1.548 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000251899172 288309656 /nfs/dbraw/zinc/30/96/56/288309656.db2.gz WGQORCPBHCWTDZ-DOMZBBRYSA-N 2 0 288.395 1.846 10 0 CDAERP CC1(C)[NH2+]CC[C@H]1NC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000335591359 281397722 /nfs/dbraw/zinc/39/77/22/281397722.db2.gz KRKCLIKINYAHLW-OAHLLOKOSA-N 2 0 287.407 1.245 10 0 CDAERP C[NH+](C)C1(CN[C@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CCC1 ZINC000353672400 289062363 /nfs/dbraw/zinc/06/23/63/289062363.db2.gz QRLKURLNVFQWJI-QLFBSQMISA-N 2 0 265.445 1.933 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)C1 ZINC000417858088 289306665 /nfs/dbraw/zinc/30/66/65/289306665.db2.gz URHDVRWZKDJOLB-XQLPTFJDSA-N 2 0 294.443 1.253 10 0 CDAERP C[NH+](C)[C@@]1(CN[C@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CCSC1 ZINC000353524767 289342757 /nfs/dbraw/zinc/34/27/57/289342757.db2.gz WWLAXKTVWWHMEV-FXUDXRNXSA-N 2 0 297.512 1.886 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2(CO)CCC2)[C@@H]2CCC[C@H]21 ZINC000375898717 290216522 /nfs/dbraw/zinc/21/65/22/290216522.db2.gz WNZGRYKXZBFIGF-MELADBBJSA-N 2 0 252.402 1.611 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H](CN(C)C)c1ccc(F)cc1 ZINC000423104922 292805166 /nfs/dbraw/zinc/80/51/66/292805166.db2.gz HNTFWYDRJJDERL-CVEARBPZSA-N 2 0 297.418 1.772 10 0 CDAERP CN(C(=O)CCCC[NH+](C)C)[C@@H]1C[NH+]2CCC1CC2 ZINC000558558888 290403188 /nfs/dbraw/zinc/40/31/88/290403188.db2.gz MBMCLEXNPBEGIL-CQSZACIVSA-N 2 0 267.417 1.271 10 0 CDAERP C[C@@H]([NH2+]C[C@H]1CCCCN1CCO)c1ccoc1 ZINC000560349224 293024742 /nfs/dbraw/zinc/02/47/42/293024742.db2.gz DNSIZDBYWFXXGW-TZMCWYRMSA-N 2 0 252.358 1.777 10 0 CDAERP O=C(NC[C@@H]1CCC[NH2+]C1)NC1CC([NH+]2CCCCC2)C1 ZINC000561199926 293062486 /nfs/dbraw/zinc/06/24/86/293062486.db2.gz UYEPNMYBTAIPHI-WLYUNCDWSA-N 2 0 294.443 1.302 10 0 CDAERP c1cnc(N[C@H]2CC[N@@H+](CCC3CC[NH2+]CC3)C2)nc1 ZINC000563154851 293292730 /nfs/dbraw/zinc/29/27/30/293292730.db2.gz YKXQYIJSSPTREE-AWEZNQCLSA-N 2 0 275.400 1.353 10 0 CDAERP C[C@H]1CCN(C(=O)CN2CC(C)(C)C2)C[C@@H]1n1ccnc1 ZINC000570861003 294324114 /nfs/dbraw/zinc/32/41/14/294324114.db2.gz KHHRGHROZHWVQK-KBPBESRZSA-N 2 0 290.411 1.634 10 0 CDAERP COc1ccc([C@H](N[C@H](C)C[NH3+])[C@@H]2CCC[NH2+]2)cc1 ZINC000423337747 295245985 /nfs/dbraw/zinc/24/59/85/295245985.db2.gz VLVSIPDOPRDKGO-UGFHNGPFSA-N 2 0 263.385 1.425 10 0 CDAERP O=C(CC[C@@H]1CC[NH2+]C1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000361969141 295479464 /nfs/dbraw/zinc/47/94/64/295479464.db2.gz WIGIDUBMZIKQKC-QLFBSQMISA-N 2 0 279.428 1.367 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000418471795 299004362 /nfs/dbraw/zinc/00/43/62/299004362.db2.gz WCVHNUSAJSYLLZ-SLEUVZQESA-N 2 0 290.411 1.504 10 0 CDAERP CC(C)CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001669372942 1173542287 /nfs/dbraw/zinc/54/22/87/1173542287.db2.gz GMXVDNPDVDMCAX-ZIAGYGMSSA-N 2 0 269.433 1.611 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001669399713 1173546804 /nfs/dbraw/zinc/54/68/04/1173546804.db2.gz KXTWUDYSZHPVFO-WOPDTQHZSA-N 2 0 261.385 1.169 10 0 CDAERP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000423360895 302589082 /nfs/dbraw/zinc/58/90/82/302589082.db2.gz LVFPGBKBAYKDFZ-ITDIGPHOSA-N 2 0 262.401 1.497 10 0 CDAERP CC(C)[NH2+]CCCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001670222850 1173663798 /nfs/dbraw/zinc/66/37/98/1173663798.db2.gz CCPWKLAAMSVCHY-UHFFFAOYSA-N 2 0 255.406 1.175 10 0 CDAERP COC(=O)C1(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC000563506868 316320115 /nfs/dbraw/zinc/32/01/15/316320115.db2.gz XPLDVDAHLSNJQK-UHFFFAOYSA-N 2 0 282.428 1.992 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N(CC[NH+](C)C)Cc2ccco2)C1 ZINC000563558170 316331171 /nfs/dbraw/zinc/33/11/71/316331171.db2.gz SONGXVUZQXENEY-CQSZACIVSA-N 2 0 293.411 1.512 10 0 CDAERP CC[NH+]1CCC(CNC(=O)N(C)CCC[NH+](C)C)CC1 ZINC000566729908 316666110 /nfs/dbraw/zinc/66/61/10/316666110.db2.gz WGFVHGUZZXQBSO-UHFFFAOYSA-N 2 0 284.448 1.311 10 0 CDAERP [NH3+]C1(CNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)CCCCC1 ZINC000570187919 316928718 /nfs/dbraw/zinc/92/87/18/316928718.db2.gz FNVPGAXGXJDGBV-ZDUSSCGKSA-N 2 0 280.416 1.184 10 0 CDAERP Cn1cncc1CCC[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000576119075 317079309 /nfs/dbraw/zinc/07/93/09/317079309.db2.gz CDRNYXDLGNAJDH-JQWIXIFHSA-N 2 0 291.317 1.598 10 0 CDAERP C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C[NH2+]CCCF ZINC001672305389 1173764994 /nfs/dbraw/zinc/76/49/94/1173764994.db2.gz GLRRGGIPNOMXOM-KBPBESRZSA-N 2 0 287.423 1.372 10 0 CDAERP C[C@H](CC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000185204924 323386236 /nfs/dbraw/zinc/38/62/36/323386236.db2.gz DKWBDNOITTZGQJ-QMIVOQANSA-N 2 0 279.428 1.208 10 0 CDAERP C[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1ccc(-n2ccnn2)cc1 ZINC000578313991 323895882 /nfs/dbraw/zinc/89/58/82/323895882.db2.gz MBAWZYKYBOLEDP-VXGBXAGGSA-N 2 0 271.368 1.526 10 0 CDAERP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000579228115 324133583 /nfs/dbraw/zinc/13/35/83/324133583.db2.gz XLNHZIVKAATKBO-ZNMIVQPWSA-N 2 0 281.444 1.837 10 0 CDAERP CCCCC[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001673928054 1173897480 /nfs/dbraw/zinc/89/74/80/1173897480.db2.gz AMGTVMJKGZJGMG-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H]([NH2+][C@H]1COc2ccccc2C1)[C@@H]1CCC[NH2+]C1 ZINC000582474273 324981507 /nfs/dbraw/zinc/98/15/07/324981507.db2.gz IZLSGCCBTMIXEA-NWANDNLSSA-N 2 0 260.381 1.968 10 0 CDAERP C[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C(F)(F)F ZINC000582782258 325042364 /nfs/dbraw/zinc/04/23/64/325042364.db2.gz MKDLYDQKUJHHCU-SNVBAGLBSA-N 2 0 298.353 1.072 10 0 CDAERP CC(C)[N@H+](C)CC1CCN(C(=O)c2c[nH+]ccc2N)CC1 ZINC000583695446 325224128 /nfs/dbraw/zinc/22/41/28/325224128.db2.gz ILDVKQJBZBSISW-UHFFFAOYSA-N 2 0 290.411 1.687 10 0 CDAERP CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001270111829 1160090077 /nfs/dbraw/zinc/09/00/77/1160090077.db2.gz AGNJMVVIJYEHCO-ZIAGYGMSSA-N 2 0 267.417 1.461 10 0 CDAERP C[NH+](C)CCCCNC(=O)[C@@H]1[NH2+]CC[C@H]2CCCC[C@H]21 ZINC000383789999 1160217297 /nfs/dbraw/zinc/21/72/97/1160217297.db2.gz WHMUEIHMMSDTKQ-RBSFLKMASA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCC2CC2)[C@H]1C ZINC001423328960 1160365951 /nfs/dbraw/zinc/36/59/51/1160365951.db2.gz NOIGFTPOTDCFGQ-UKRRQHHQSA-N 2 0 281.444 1.706 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000136460123 482206335 /nfs/dbraw/zinc/20/63/35/482206335.db2.gz MCLCWBMNBAUQKJ-QWHCGFSZSA-N 2 0 253.390 1.057 10 0 CDAERP FC1(F)C[C@@H]1OCC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000662276014 482235702 /nfs/dbraw/zinc/23/57/02/482235702.db2.gz IHLDXZMBQDKMEQ-AVGNSLFASA-N 2 0 274.355 1.875 10 0 CDAERP CC[NH+](CC)CCCNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000668546012 482473656 /nfs/dbraw/zinc/47/36/56/482473656.db2.gz NNOXGODJXKXWQF-MRXNPFEDSA-N 2 0 296.459 1.503 10 0 CDAERP COC[C@H](C)C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000682157165 482614961 /nfs/dbraw/zinc/61/49/61/482614961.db2.gz ZKOOFQSGQDVKOD-MRXNPFEDSA-N 2 0 297.487 1.759 10 0 CDAERP COCC[N@H+](C)CCC[NH2+][C@H]1CC[C@H](C)SC1 ZINC000655688699 482630589 /nfs/dbraw/zinc/63/05/89/482630589.db2.gz BCLRYFPNWOONKK-STQMWFEESA-N 2 0 260.447 1.828 10 0 CDAERP CCC[NH+]1CCC([NH2+]CCc2cncc(C)n2)CC1 ZINC000402647243 482775771 /nfs/dbraw/zinc/77/57/71/482775771.db2.gz HUXSGEIRNMARTK-UHFFFAOYSA-N 2 0 262.401 1.792 10 0 CDAERP [NH3+]Cc1cccc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000094441453 482786214 /nfs/dbraw/zinc/78/62/14/482786214.db2.gz YBVQHYKKKMHJGO-HNNXBMFYSA-N 2 0 288.395 1.847 10 0 CDAERP C[NH+](C)C[C@@H](NC(=O)c1ccc(C[NH3+])o1)c1ccccc1 ZINC000094570121 482794572 /nfs/dbraw/zinc/79/45/72/482794572.db2.gz UXVYXZFDEYMGNN-CQSZACIVSA-N 2 0 287.363 1.771 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000669403355 482888164 /nfs/dbraw/zinc/88/81/64/482888164.db2.gz WVHPXRSUXIJKHY-CABCVRRESA-N 2 0 294.443 1.254 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NC/C=C/C[NH3+])C1 ZINC000669405911 482905222 /nfs/dbraw/zinc/90/52/22/482905222.db2.gz NFZQHYYGQSGJDS-DLPZHFSESA-N 2 0 296.459 1.557 10 0 CDAERP COCC1(C[NH2+]Cc2ccc3c[nH]nc3c2)CC[NH2+]CC1 ZINC000666894776 482966077 /nfs/dbraw/zinc/96/60/77/482966077.db2.gz UASVICUKVSOFHG-UHFFFAOYSA-N 2 0 288.395 1.669 10 0 CDAERP c1cc2cnccc2c(CNC[C@@H]2C[NH2+]CCCO2)c1 ZINC000666965293 483024025 /nfs/dbraw/zinc/02/40/25/483024025.db2.gz OFRJTKVUIJNSAD-HNNXBMFYSA-N 2 0 271.364 1.703 10 0 CDAERP C[NH+](C)Cc1ccc(C(=O)N2CC[C@@H](C[NH+](C)C)C2)cn1 ZINC000670475488 483087580 /nfs/dbraw/zinc/08/75/80/483087580.db2.gz MMUCOUQLFNSFHO-ZDUSSCGKSA-N 2 0 290.411 1.167 10 0 CDAERP [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCCCCn1ccnc1 ZINC000089461094 483088403 /nfs/dbraw/zinc/08/84/03/483088403.db2.gz QYAHNFYUYOAIBR-OLZOCXBDSA-N 2 0 264.373 1.155 10 0 CDAERP CCC[NH+]1CCC(CNc2cc[nH+]cc2C(N)=O)CC1 ZINC000685905794 483253421 /nfs/dbraw/zinc/25/34/21/483253421.db2.gz MSHJBSDKJLVPNB-UHFFFAOYSA-N 2 0 276.384 1.136 10 0 CDAERP CC[N@@H+]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@@H]1C ZINC000679412539 483362896 /nfs/dbraw/zinc/36/28/96/483362896.db2.gz WVUJUNZQFREWSK-AWEZNQCLSA-N 2 0 290.411 1.461 10 0 CDAERP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]C1CSC1 ZINC000679841128 483450443 /nfs/dbraw/zinc/45/04/43/483450443.db2.gz PHUZEDOYCVMCCD-MRXNPFEDSA-N 2 0 292.448 1.848 10 0 CDAERP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000680499255 483640106 /nfs/dbraw/zinc/64/01/06/483640106.db2.gz JHRJVIRTMKONCB-UKRRQHHQSA-N 2 0 296.459 1.452 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC000055138045 519775559 /nfs/dbraw/zinc/77/55/59/519775559.db2.gz RIBFNOWETWDCAP-KBXIAJHMSA-N 2 0 283.460 1.842 10 0 CDAERP CCC[NH2+]CC1(C[NH+]2CCC(O)CC2)CCOCC1 ZINC000052180587 519909345 /nfs/dbraw/zinc/90/93/45/519909345.db2.gz JMJJVEPRFQIZEM-UHFFFAOYSA-N 2 0 270.417 1.240 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@H](COCC[NH+]2CCCC2)O1 ZINC000052670446 519956436 /nfs/dbraw/zinc/95/64/36/519956436.db2.gz MHXJPBRQMZKYLB-UONOGXRCSA-N 2 0 256.390 1.256 10 0 CDAERP CC(C)[N@H+](C)CCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001707417519 1178032624 /nfs/dbraw/zinc/03/26/24/1178032624.db2.gz HZKOAZSSAWOUCT-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP CCC[NH2+]Cc1cn(CC[N@H+](C)CC(C)(C)C)nn1 ZINC000052570122 519960071 /nfs/dbraw/zinc/96/00/71/519960071.db2.gz KPELXSKPGNQCJM-UHFFFAOYSA-N 2 0 267.421 1.756 10 0 CDAERP CC[C@@H](F)C[N@H+](CC)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001713009354 1178298742 /nfs/dbraw/zinc/29/87/42/1178298742.db2.gz XVKLEEUUOKRUJX-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP CCCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001713362862 1178521290 /nfs/dbraw/zinc/52/12/90/1178521290.db2.gz HUMNLKPNZDSCJX-ZIAGYGMSSA-N 2 0 267.417 1.176 10 0 CDAERP CCOCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001671280814 1161497482 /nfs/dbraw/zinc/49/74/82/1161497482.db2.gz HKGWKGQTASYCAQ-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP C[NH2+]CC1(C[N@H+](C)[C@@H]2CCSC2)CCOCC1 ZINC000052181509 521969647 /nfs/dbraw/zinc/96/96/47/521969647.db2.gz CVZRFEPYGIGQCS-GFCCVEGCSA-N 2 0 258.431 1.440 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000300407709 1182223065 /nfs/dbraw/zinc/22/30/65/1182223065.db2.gz RVBOPHFCPZNVGD-AVGNSLFASA-N 2 0 255.406 1.350 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CCCF)C1 ZINC001733557746 1183465522 /nfs/dbraw/zinc/46/55/22/1183465522.db2.gz CRGHLTASASBEAC-KGLIPLIRSA-N 2 0 287.423 1.370 10 0 CDAERP CC(C)(C)[NH+]1CCN(Cc2ccc[nH+]c2NN)CC1 ZINC000052721879 518712464 /nfs/dbraw/zinc/71/24/64/518712464.db2.gz JRXJNZGKXBBKPE-UHFFFAOYSA-N 2 0 263.389 1.283 10 0 CDAERP CC(C)CCNC(=O)C[N@H+](CCC[NH3+])C1CCCC1 ZINC000049283828 519656069 /nfs/dbraw/zinc/65/60/69/519656069.db2.gz LLTNBCZNNNTCIU-UHFFFAOYSA-N 2 0 269.433 1.742 10 0 CDAERP CC(=O)NCCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000142822663 519656846 /nfs/dbraw/zinc/65/68/46/519656846.db2.gz NCCZNQIQNHEDEF-UHFFFAOYSA-N 2 0 267.417 1.320 10 0 CDAERP CC(C)CCNC(=O)[C@@H](C)[NH2+]CCCC[NH+](C)C ZINC000045698276 519658777 /nfs/dbraw/zinc/65/87/77/519658777.db2.gz XTHRAHXTOGAADB-CYBMUJFWSA-N 2 0 257.422 1.469 10 0 CDAERP CC(C)[NH+]1CCC(C[NH3+])(N2CCC[C@@H]2C[NH+](C)C)CC1 ZINC000061642983 519669524 /nfs/dbraw/zinc/66/95/24/519669524.db2.gz BOQYHPMPFMAHFG-OAHLLOKOSA-N 3 0 282.476 1.214 10 0 CDAERP CC(C)[NH2+]CC1(CN2CCC[C@H]2C[NH+](C)C)CCOCC1 ZINC000061653717 519719466 /nfs/dbraw/zinc/71/94/66/519719466.db2.gz HUJVJCGXJDAXBO-INIZCTEOSA-N 2 0 297.487 1.807 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CC[C@@H](COCCC[NH+](C)C)O1 ZINC000052672670 519746266 /nfs/dbraw/zinc/74/62/66/519746266.db2.gz MMOONOFGIDZPJB-CABCVRRESA-N 2 0 272.433 1.748 10 0 CDAERP CC(C)[C@H](C[NH2+][C@H]1CCCSC1)N1CC[NH+](C)CC1 ZINC000061589015 519816133 /nfs/dbraw/zinc/81/61/33/519816133.db2.gz KLUFWINYXJEMGA-GJZGRUSLSA-N 2 0 285.501 1.744 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@@H]2[C@@H](C)CCC[C@@H]2[NH3+])CC1 ZINC000055141545 519846280 /nfs/dbraw/zinc/84/62/80/519846280.db2.gz NGBGYSALRKPLHX-AEGPPILISA-N 2 0 281.444 1.741 10 0 CDAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)OC ZINC000054628700 519907932 /nfs/dbraw/zinc/90/79/32/519907932.db2.gz FWEDZQSCRNVALF-YHWZYXNKSA-N 2 0 254.374 1.545 10 0 CDAERP CC[NH2+]CC[C@H](C)N1CC[NH+](C2CCCC2)CC1 ZINC000052573555 519928619 /nfs/dbraw/zinc/92/86/19/519928619.db2.gz WBVFECHJMYJVMZ-AWEZNQCLSA-N 2 0 253.434 1.935 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@H](CN2CCC([NH+](C)C)CC2)O1 ZINC000052477778 519955280 /nfs/dbraw/zinc/95/52/80/519955280.db2.gz DKARFKDRIWEPAP-LSDHHAIUSA-N 2 0 269.433 1.170 10 0 CDAERP CCC[NH2+][C@@H](CC[NH+]1CCC(C[NH+](C)C)CC1)C(=O)[O-] ZINC000062460505 519999606 /nfs/dbraw/zinc/99/96/06/519999606.db2.gz AAXJSHNLYDBJRE-AWEZNQCLSA-N 2 0 285.432 1.103 10 0 CDAERP CCC[NH2+][C@@](C)(C[C@@H](C)N(C)[C@@H]1CCC[N@H+](C)C1)C(N)=O ZINC000068642403 520041278 /nfs/dbraw/zinc/04/12/78/520041278.db2.gz ISUHQZDUDAUTPZ-FMKPAKJESA-N 2 0 298.475 1.035 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000061273794 520063078 /nfs/dbraw/zinc/06/30/78/520063078.db2.gz SQLIHHBSVONOFF-AWEZNQCLSA-N 2 0 269.433 1.613 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000061273617 520167288 /nfs/dbraw/zinc/16/72/88/520167288.db2.gz YLEVNXATXFNILY-HIFRSBDPSA-N 2 0 277.412 1.794 10 0 CDAERP CCCC[N@H+](C)CC1CCN(C(=O)[C@H]([NH3+])CCOC)CC1 ZINC000052809098 520400576 /nfs/dbraw/zinc/40/05/76/520400576.db2.gz RSHMOFFUYNMPCV-OAHLLOKOSA-N 2 0 299.459 1.321 10 0 CDAERP CC[NH+](CC)CCCCNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000236845489 520591316 /nfs/dbraw/zinc/59/13/16/520591316.db2.gz IVAUGUGYSWNKPY-STQMWFEESA-N 2 0 255.406 1.352 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@@H]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000055123432 520617814 /nfs/dbraw/zinc/61/78/14/520617814.db2.gz IWYIOOBMFRBAIQ-BFHYXJOUSA-N 2 0 269.433 1.598 10 0 CDAERP CC[NH+](CC)CCc1nc(C)cc(C[NH2+]C2CC2)n1 ZINC000054831932 520712038 /nfs/dbraw/zinc/71/20/38/520712038.db2.gz KMVVDUVTDQEFFG-UHFFFAOYSA-N 2 0 262.401 1.921 10 0 CDAERP CC[NH+]1CCC(N(C)Cc2occc2C[NH3+])CC1 ZINC000052544001 521567667 /nfs/dbraw/zinc/56/76/67/521567667.db2.gz HSFAYVFHXGSJIU-UHFFFAOYSA-N 2 0 251.374 1.654 10 0 CDAERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)CCn2cccn2)C1 ZINC000157608741 521717730 /nfs/dbraw/zinc/71/77/30/521717730.db2.gz UCYCPDPXJGHAKG-UONOGXRCSA-N 2 0 250.390 1.593 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1[C@@H]1C[NH2+]Cc2ccccc21 ZINC000069267099 521843224 /nfs/dbraw/zinc/84/32/24/521843224.db2.gz RJDCRWDFPQKOPL-GOEBONIOSA-N 2 0 259.397 1.857 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C1(C[NH3+])CCSCC1 ZINC000061642830 521865212 /nfs/dbraw/zinc/86/52/12/521865212.db2.gz KXSYDMKLDZQYFJ-GFCCVEGCSA-N 2 0 257.447 1.237 10 0 CDAERP C[NH2+]CC1(CN2CCC([NH+](C)C)CC2)CCOCC1 ZINC000052181716 521968735 /nfs/dbraw/zinc/96/87/35/521968735.db2.gz WMCOTESTVIQACH-UHFFFAOYSA-N 2 0 269.433 1.029 10 0 CDAERP CC[C@@H](C)[N@H+](CCOC)CC1(C[NH3+])CCOCC1 ZINC000052183566 522091697 /nfs/dbraw/zinc/09/16/97/522091697.db2.gz HYQOQHLDOSWIER-CYBMUJFWSA-N 2 0 258.406 1.489 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000055077734 522111775 /nfs/dbraw/zinc/11/17/75/522111775.db2.gz SYKIAAJXGDAXQZ-OLZOCXBDSA-N 2 0 253.390 1.071 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(CCCC[C@](C)([NH2+]C)C(N)=O)CC1 ZINC000055071094 522117928 /nfs/dbraw/zinc/11/79/28/522117928.db2.gz KEXGBSMQKUEJHY-ZBFHGGJFSA-N 2 0 298.475 1.036 10 0 CDAERP CC[C@@H](C)[NH+]1CCN([C@@H]2COc3ccccc3[C@@H]2[NH3+])CC1 ZINC000055065283 522129362 /nfs/dbraw/zinc/12/93/62/522129362.db2.gz IDJNMCZZXMZFKX-UNEWFSDZSA-N 2 0 289.423 1.864 10 0 CDAERP CC[C@H]([NH3+])[C@@H](c1cnn(C)c1)N1CCC[C@@H]1C[NH+](C)C ZINC000061641976 522341357 /nfs/dbraw/zinc/34/13/57/522341357.db2.gz ROYCUWMDSPQPAR-QLFBSQMISA-N 2 0 279.432 1.225 10 0 CDAERP C[NH2+][C@@H]1CCCc2nc(N3CCC[N@H+](C)CC3)sc21 ZINC000054899111 522390502 /nfs/dbraw/zinc/39/05/02/522390502.db2.gz YETXBCQQXWOCMY-LLVKDONJSA-N 2 0 280.441 1.882 10 0 CDAERP C[NH2+][C@@](C)(CCC[N@@H+]1CCCC(C)(C)C1)C(N)=O ZINC000069516655 522408282 /nfs/dbraw/zinc/40/82/82/522408282.db2.gz ATXHVFVVISQPHW-AWEZNQCLSA-N 2 0 255.406 1.352 10 0 CDAERP C[NH2+][C@H](CN1CCC[C@@H]1C[NH+](C)C)c1cccc(OC)c1 ZINC000061643449 522466837 /nfs/dbraw/zinc/46/68/37/522466837.db2.gz HDWIHMNYWWICEG-NVXWUHKLSA-N 2 0 291.439 1.982 10 0 CDAERP CC[C@@H](CC[NH3+])[N@@H+]1CCCN(CCC[NH+]2CCCC2)CC1 ZINC000049332139 522497866 /nfs/dbraw/zinc/49/78/66/522497866.db2.gz SSEXYUMLSFTXDC-KRWDZBQOSA-N 3 0 296.503 1.607 10 0 CDAERP CC[C@]1(C(=O)NC[C@H](C(C)C)[NH+]2CCCC2)CC[NH2+]C1 ZINC000062899968 523538695 /nfs/dbraw/zinc/53/86/95/523538695.db2.gz WMTXEFNOACXWMU-ZBFHGGJFSA-N 2 0 281.444 1.613 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)CC2CCC([NH3+])CC2)C1 ZINC000055136294 523816780 /nfs/dbraw/zinc/81/67/80/523816780.db2.gz XOLKVQQUOFOYMD-WXRRBKDZSA-N 2 0 253.390 1.104 10 0 CDAERP CN(C(=O)C[C@@H]1CCCC[C@@H]1[NH3+])[C@@H]1CCC[N@H+](C)C1 ZINC000055131535 523843322 /nfs/dbraw/zinc/84/33/22/523843322.db2.gz RVTCQCILQSEFRH-MJBXVCDLSA-N 2 0 267.417 1.447 10 0 CDAERP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](Cn2cncn2)C1 ZINC000163464457 523846558 /nfs/dbraw/zinc/84/65/58/523846558.db2.gz FONCMWQMYKZDJN-GJZGRUSLSA-N 2 0 277.416 1.474 10 0 CDAERP C[NH+]1CCN(CC[NH2+][C@@H]2CCCC[C@H]2C(F)(F)F)CC1 ZINC000069392394 523902907 /nfs/dbraw/zinc/90/29/07/523902907.db2.gz GZCCLCUZDGADFY-CHWSQXEVSA-N 2 0 293.377 1.945 10 0 CDAERP CN(C(=O)[C@H]1CCC[C@H](C[NH3+])C1)C1CC[NH+](C)CC1 ZINC000055145640 523909625 /nfs/dbraw/zinc/90/96/25/523909625.db2.gz GNUKXSZCHOMKJN-STQMWFEESA-N 2 0 267.417 1.304 10 0 CDAERP COCC[NH2+]C[C@H]1CCC[N@H+](CCOC(C)C)C1 ZINC000053658629 523943961 /nfs/dbraw/zinc/94/39/61/523943961.db2.gz LKUOLBJTSGDFTD-CQSZACIVSA-N 2 0 258.406 1.359 10 0 CDAERP CC[C@H](C)[NH+]1CCN(Cc2ccnc(C(N)=[NH2+])c2)CC1 ZINC000068761857 523957073 /nfs/dbraw/zinc/95/70/73/523957073.db2.gz HNOQYYJLGNTTFA-LBPRGKRZSA-N 2 0 275.400 1.282 10 0 CDAERP CC[C@H](C)[NH2+]C[C@@H](C)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062974422 524003281 /nfs/dbraw/zinc/00/32/81/524003281.db2.gz AESBXQGAXHTHSG-ZNMIVQPWSA-N 2 0 253.434 1.933 10 0 CDAERP C[NH+](C)CCC[NH2+]CCOCc1ccccc1F ZINC000069286698 524056814 /nfs/dbraw/zinc/05/68/14/524056814.db2.gz ZENUYXJVQHLKBM-UHFFFAOYSA-N 2 0 254.349 1.884 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000246732057 524107234 /nfs/dbraw/zinc/10/72/34/524107234.db2.gz YKOXKNBVFIOMIL-CHWSQXEVSA-N 2 0 253.390 1.119 10 0 CDAERP C[C@H](C[NH+]1CCCC1)NC(=O)CCCCCC[NH3+] ZINC000049184847 524313848 /nfs/dbraw/zinc/31/38/48/524313848.db2.gz QMJVGNCBEUUQCI-CYBMUJFWSA-N 2 0 255.406 1.496 10 0 CDAERP C[C@H]1CC[C@H](C(=O)NCC(C)(C)C[NH+](C)C)C[C@@H]1[NH3+] ZINC000055125283 524381595 /nfs/dbraw/zinc/38/15/95/524381595.db2.gz ZVUWGUBITVCZCB-AVGNSLFASA-N 2 0 269.433 1.454 10 0 CDAERP C[C@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000055131568 524414184 /nfs/dbraw/zinc/41/41/84/524414184.db2.gz KOOAGPATEBVBFW-FQUUOJAGSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[C@@H]([NH3+])C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000246263885 524452023 /nfs/dbraw/zinc/45/20/23/524452023.db2.gz LGHPZJYOEPYRAG-YIYPIFLZSA-N 2 0 267.417 1.350 10 0 CDAERP C[C@@H](CCC[NH2+]C1CC1)[NH+]1CCN(C2CC2)CC1 ZINC000052371366 524458925 /nfs/dbraw/zinc/45/89/25/524458925.db2.gz JXVCBWUVKQQDPI-ZDUSSCGKSA-N 2 0 251.418 1.687 10 0 CDAERP C[C@@H](C[NH+]1CCCC1)NC(=O)CC1CCC([NH3+])CC1 ZINC000055140697 524590110 /nfs/dbraw/zinc/59/01/10/524590110.db2.gz QKOPAMGXBVPFDE-HSBZDZAISA-N 2 0 267.417 1.495 10 0 CDAERP C[C@H](Cc1ccco1)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000062769800 524746147 /nfs/dbraw/zinc/74/61/47/524746147.db2.gz GWKWDAPGWIUKRJ-CQSZACIVSA-N 2 0 279.428 1.826 10 0 CDAERP C[C@H]1C[C@@H]([NH3+])CC[C@@H]1C(=O)NCC1CC[NH+](C)CC1 ZINC000055140229 524789794 /nfs/dbraw/zinc/78/97/94/524789794.db2.gz OQCKXVWOEGDHFN-UBHSHLNASA-N 2 0 267.417 1.208 10 0 CDAERP C[C@H]([NH3+])c1cnc(N(C)[C@@H]2CCC[N@H+](C)C2)s1 ZINC000054896336 524869257 /nfs/dbraw/zinc/86/92/57/524869257.db2.gz DVZQVROAEGIGMH-VHSXEESVSA-N 2 0 254.403 1.693 10 0 CDAERP C[C@@H]([NH3+])[C@H](c1ccccc1)N1CCN(CC[NH+](C)C)CC1 ZINC000061642352 525016527 /nfs/dbraw/zinc/01/65/27/525016527.db2.gz ZKJAUZBOBOUUFX-NVXWUHKLSA-N 2 0 290.455 1.254 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CC[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000246698588 525417300 /nfs/dbraw/zinc/41/73/00/525417300.db2.gz WBAVFTNLHQDPOV-MROQNXINSA-N 2 0 253.390 1.055 10 0 CDAERP C[C@H]1CCCC[C@H]1[N@H+](C)CCN1CCC[NH2+]CC1 ZINC000061275536 526261449 /nfs/dbraw/zinc/26/14/49/526261449.db2.gz JFPQIFLSUOALGL-LSDHHAIUSA-N 2 0 253.434 1.792 10 0 CDAERP O=C(NC[C@@H]1CCC[NH2+]C1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000247038864 526515328 /nfs/dbraw/zinc/51/53/28/526515328.db2.gz SQZHCORFOKYIMZ-RFGFWPKPSA-N 2 0 265.401 1.023 10 0 CDAERP c1cnc(N2CC[NH+](CCC[C@H]3CCC[NH2+]3)CC2)nc1 ZINC000052764223 526542079 /nfs/dbraw/zinc/54/20/79/526542079.db2.gz NEJMHSSRIIUNGI-CQSZACIVSA-N 2 0 275.400 1.131 10 0 CDAERP c1csc(C[NH2+]CCN2CC[NH+](C3CC3)CC2)c1 ZINC000053446205 526580364 /nfs/dbraw/zinc/58/03/64/526580364.db2.gz PCAFWSOVOVUZOE-UHFFFAOYSA-N 2 0 265.426 1.618 10 0 CDAERP Cc1nc(C)c([C@H](C)[NH2+]CCN2CCC[NH2+]CC2)s1 ZINC000061275432 526753354 /nfs/dbraw/zinc/75/33/54/526753354.db2.gz VQSRLVOVXFQNMH-NSHDSACASA-N 2 0 282.457 1.706 10 0 CDAERP NNc1cc(C[N@@H+]2CCCC[C@H]2CCO)cc[nH+]1 ZINC000052723951 527273873 /nfs/dbraw/zinc/27/38/73/527273873.db2.gz YXPWABACDMYABC-LBPRGKRZSA-N 2 0 250.346 1.104 10 0 CDAERP NNc1ccc(CN2CC[C@H]([NH+]3CCCC3)C2)c[nH+]1 ZINC000062969627 527278695 /nfs/dbraw/zinc/27/86/95/527278695.db2.gz ABRXIARIWHILMG-ZDUSSCGKSA-N 2 0 261.373 1.037 10 0 CDAERP O=S1(=O)CCC[C@@H]([NH+]2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000069139459 527299384 /nfs/dbraw/zinc/29/93/84/527299384.db2.gz NGVUBSASPNIBPY-ZIAGYGMSSA-N 2 0 286.441 1.028 10 0 CDAERP [NH3+][C@@H]1CCC[C@H](CC(=O)NCC[NH+]2CCCC2)C1 ZINC000055131688 527357962 /nfs/dbraw/zinc/35/79/62/527357962.db2.gz NQFYOGMGJLPHOH-QWHCGFSZSA-N 2 0 253.390 1.106 10 0 CDAERP CCC(CC)(C[NH3+])C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000094459021 534931860 /nfs/dbraw/zinc/93/18/60/534931860.db2.gz ZANHFLGNNUELJP-QWHCGFSZSA-N 2 0 267.417 1.447 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N[C@H](C)CCCC[NH3+])CC1 ZINC000417743140 535449169 /nfs/dbraw/zinc/44/91/69/535449169.db2.gz BUJZMCNKRNTKTB-CQSZACIVSA-N 2 0 298.475 1.925 10 0 CDAERP CC[NH+](CC)CCCNC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000416826309 535515852 /nfs/dbraw/zinc/51/58/52/535515852.db2.gz ZLKBWFKTRBOZKO-HNNXBMFYSA-N 2 0 292.427 1.718 10 0 CDAERP CC[NH+](CC)[C@@H](C)CNC(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000245467051 535642205 /nfs/dbraw/zinc/64/22/05/535642205.db2.gz JTYMIHFSGVQNHI-LSDHHAIUSA-N 2 0 298.475 1.842 10 0 CDAERP CC[NH+](CC)[C@@H](CNC(=O)NCCC[NH3+])c1ccsc1 ZINC000417006171 535657290 /nfs/dbraw/zinc/65/72/90/535657290.db2.gz JPJYFZUZIKSLRM-ZDUSSCGKSA-N 2 0 298.456 1.779 10 0 CDAERP C[NH+](C)Cc1cc(CNC2=[NH+]CCCN2)ccc1F ZINC000262261597 535991560 /nfs/dbraw/zinc/99/15/60/535991560.db2.gz RFEXQEVWLWGOON-UHFFFAOYSA-N 2 0 264.348 1.326 10 0 CDAERP CC(C)[NH+]1CCC(N(C)C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000091548268 538421925 /nfs/dbraw/zinc/42/19/25/538421925.db2.gz BLWYAEXUHYIUFV-CHWSQXEVSA-N 2 0 267.417 1.445 10 0 CDAERP Cc1nn(C)c2sc([C@@H]3C[C@@H]([NH3+])CC[NH2+]3)cc12 ZINC000757216059 574908321 /nfs/dbraw/zinc/90/83/21/574908321.db2.gz PDGLVJIFXLNWJD-WPRPVWTQSA-N 2 0 250.371 1.695 10 0 CDAERP CC[C@@H]1C[NH+](C[C@@H]2CC[C@H](C[NH3+])O2)C[C@@H](CC)O1 ZINC000398673531 570300617 /nfs/dbraw/zinc/30/06/17/570300617.db2.gz IRTWQXDNEJDHPG-SYQHCUMBSA-N 2 0 256.390 1.382 10 0 CDAERP C[NH+](C)CCNC(=S)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000730736427 575002617 /nfs/dbraw/zinc/00/26/17/575002617.db2.gz TVKVAZLYMPLJLT-CQSZACIVSA-N 2 0 298.500 1.373 10 0 CDAERP CC/C=C/CC[NH2+][C@H]1C[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001688916549 1175067428 /nfs/dbraw/zinc/06/74/28/1175067428.db2.gz JENNQLNCWYKJAI-ZOSBBBERSA-N 2 0 293.455 1.923 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CCF ZINC001689806128 1175265313 /nfs/dbraw/zinc/26/53/13/1175265313.db2.gz YWWUNSGIZAHCRA-ZDUSSCGKSA-N 2 0 273.396 1.268 10 0 CDAERP CCC/C=C/CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001690298888 1175430254 /nfs/dbraw/zinc/43/02/54/1175430254.db2.gz WNSZKQTWXZJAOI-ONILBQQISA-N 2 0 293.455 1.921 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]CCCOCC2CCOCC2)C12CCC2 ZINC000925510960 617413903 /nfs/dbraw/zinc/41/39/03/617413903.db2.gz CVAQCWCVPQNKPB-CABCVRRESA-N 2 0 282.428 1.679 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1C[C@@H](C)n2ncnc21 ZINC000926686542 617447774 /nfs/dbraw/zinc/44/77/74/617447774.db2.gz QCLRIDQETPXYDI-MJBXVCDLSA-N 2 0 294.447 1.146 10 0 CDAERP OCC1(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925527953 617455433 /nfs/dbraw/zinc/45/54/33/617455433.db2.gz BRNQIVLDFKBMPB-KGLIPLIRSA-N 2 0 252.402 1.517 10 0 CDAERP CC(C)(C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)C(N)=O ZINC000925601521 617544192 /nfs/dbraw/zinc/54/41/92/617544192.db2.gz LPIQMWQXKUZSKZ-CHWSQXEVSA-N 2 0 267.417 1.256 10 0 CDAERP OCCOCCC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925631515 617577259 /nfs/dbraw/zinc/57/72/59/617577259.db2.gz HOSMNUODFVTLIJ-HUUCEWRRSA-N 2 0 270.417 1.143 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])[NH2+]CC[C@@H](N(C)C)C(F)(F)F ZINC000925837772 617868079 /nfs/dbraw/zinc/86/80/79/617868079.db2.gz SNBCXMRGDDDIFS-IVZWLZJFSA-N 2 0 255.328 1.584 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@H]1c2ccccc2CC[C@H]1O ZINC000925888923 617980098 /nfs/dbraw/zinc/98/00/98/617980098.db2.gz HHXGIQVVZLYJNA-BMFZPTHFSA-N 2 0 278.396 1.378 10 0 CDAERP CC1(C)C[C@@H]([NH2+][C@@H]2CCCN(CCCO)C2)C[C@@H]([NH3+])C1 ZINC000925678136 617647496 /nfs/dbraw/zinc/64/74/96/617647496.db2.gz CPZIYHVJPIOBHA-KFWWJZLASA-N 2 0 283.460 1.329 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](O)Cc2cccc(F)c2)C12CCC2 ZINC000925679550 617649748 /nfs/dbraw/zinc/64/97/48/617649748.db2.gz JOIHMJBBNILZKX-RBSFLKMASA-N 2 0 278.371 1.589 10 0 CDAERP C(C[C@H]1CC[NH2+]C1)[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925694711 617715178 /nfs/dbraw/zinc/71/51/78/617715178.db2.gz SCYOBCVHGURIRP-VNQPRFMTSA-N 3 0 265.445 1.744 10 0 CDAERP [NH3+][C@@H](CN[C@@H]1CC[NH2+]C12CCCC2)c1ccccc1 ZINC000925695280 617718623 /nfs/dbraw/zinc/71/86/23/617718623.db2.gz VMFMZDOBWLEPSJ-LSDHHAIUSA-N 2 0 259.397 1.951 10 0 CDAERP C1=C(C[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)CC[NH2+]C1 ZINC000925698500 617735268 /nfs/dbraw/zinc/73/52/68/617735268.db2.gz KFBHTVRUYIKURX-RBSFLKMASA-N 2 0 250.386 1.701 10 0 CDAERP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCc1ccnn1-c1ccccc1 ZINC000925804852 617743098 /nfs/dbraw/zinc/74/30/98/617743098.db2.gz NUIJQVYZEVDVGX-HOTGVXAUSA-N 2 0 270.380 1.884 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@H]2CCC[C@@H](C3CC3)C2)CC1 ZINC000925810941 617753901 /nfs/dbraw/zinc/75/39/01/617753901.db2.gz CEGQEHNTQIAKAF-ZBFHGGJFSA-N 2 0 265.445 1.968 10 0 CDAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925816071 617771283 /nfs/dbraw/zinc/77/12/83/617771283.db2.gz DFHIMDVITCKKHC-ZBFHGGJFSA-N 3 0 282.476 1.310 10 0 CDAERP C(CN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)C[NH2+]C1CC1 ZINC000925711377 617806329 /nfs/dbraw/zinc/80/63/29/617806329.db2.gz YMHTTYHWOPQDLX-HZPDHXFCSA-N 2 0 265.445 1.886 10 0 CDAERP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC000925826929 617837631 /nfs/dbraw/zinc/83/76/31/617837631.db2.gz QLECCHYUWFMYFN-UONOGXRCSA-N 2 0 282.428 1.286 10 0 CDAERP COC(=O)N(C)CC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925718708 617841625 /nfs/dbraw/zinc/84/16/25/617841625.db2.gz ZSPBHBQBSQXBCH-UONOGXRCSA-N 2 0 283.416 1.443 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000925835627 617864623 /nfs/dbraw/zinc/86/46/23/617864623.db2.gz UWBHMJLRKWWVMN-SRVKXCTJSA-N 2 0 298.349 1.830 10 0 CDAERP C[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1cnccn1 ZINC000925843970 617877122 /nfs/dbraw/zinc/87/71/22/617877122.db2.gz INTOPYRPVKJQFA-CQSZACIVSA-N 2 0 277.416 1.203 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]CCCCCN2CC[NH2+]CC2)[C@@H](C)C1 ZINC000925846345 617881358 /nfs/dbraw/zinc/88/13/58/617881358.db2.gz SBKCCNKHBQDPQY-IRXDYDNUSA-N 3 0 296.503 1.382 10 0 CDAERP COC(=O)C1=CC[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925724189 617899787 /nfs/dbraw/zinc/89/97/87/617899787.db2.gz WXQOMYJPAFEGPJ-QJPTWQEYSA-N 2 0 250.342 1.108 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2c3ccccc3CC[C@H]2O)C1 ZINC000925890311 617980878 /nfs/dbraw/zinc/98/08/78/617980878.db2.gz OEVIDUUBHXJVOE-CLWVCHIJSA-N 2 0 260.381 1.894 10 0 CDAERP CC(C)O[C@]1(C[NH2+]Cc2cnccc2N(C)C)CCOC1 ZINC000922613413 618302384 /nfs/dbraw/zinc/30/23/84/618302384.db2.gz WWOHGJBKEPQEHL-INIZCTEOSA-N 2 0 293.411 1.821 10 0 CDAERP CC[NH+]1CCC(C[NH2+]C2[C@H](C)COC[C@H]2C)CC1 ZINC000924955826 618396708 /nfs/dbraw/zinc/39/67/08/618396708.db2.gz UFTDQFJKWISMEQ-CHWSQXEVSA-N 2 0 254.418 1.979 10 0 CDAERP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2CC3CCC2CC3)C1 ZINC000924963066 618452015 /nfs/dbraw/zinc/45/20/15/618452015.db2.gz DGMUROJBAWHNLB-QDIHITRGSA-N 2 0 293.455 1.742 10 0 CDAERP Cc1cc(C[NH3+])cc(NC(=O)COC2CC[NH+](C)CC2)c1 ZINC000927771656 618654976 /nfs/dbraw/zinc/65/49/76/618654976.db2.gz KBDPQAHJJNCETM-UHFFFAOYSA-N 2 0 291.395 1.503 10 0 CDAERP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)C(C)(C)CO ZINC000925215009 620561622 /nfs/dbraw/zinc/56/16/22/620561622.db2.gz KCTICYLBAVBFBG-ZDUSSCGKSA-N 2 0 271.449 1.009 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000925241232 620610159 /nfs/dbraw/zinc/61/01/59/620610159.db2.gz NZMKSPYLRGHLAG-IKGGRYGDSA-N 2 0 297.487 1.950 10 0 CDAERP C[NH+](C)CC1(C(=O)N2CC([NH+]3CCCC3)C2)CCCCC1 ZINC000898606634 621816673 /nfs/dbraw/zinc/81/66/73/621816673.db2.gz ZSADDJJLUNJPKI-UHFFFAOYSA-N 2 0 293.455 1.805 10 0 CDAERP C[NH+](C)Cc1cccc(C(=O)N2CC([NH+]3CCCC3)C2)c1 ZINC000898613640 621820256 /nfs/dbraw/zinc/82/02/56/621820256.db2.gz QYDHFAVYDFTCOU-UHFFFAOYSA-N 2 0 287.407 1.668 10 0 CDAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH+]1CCCCC1 ZINC000900289496 622856584 /nfs/dbraw/zinc/85/65/84/622856584.db2.gz SEGFDHGCVIAIHS-CQSZACIVSA-N 2 0 279.428 1.320 10 0 CDAERP CCC[NH+](CCC)CCCNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900550433 623193081 /nfs/dbraw/zinc/19/30/81/623193081.db2.gz YUHSSHAUQKLLMQ-HOCLYGCPSA-N 2 0 299.459 1.070 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@]23CC[NH+](C2)CCC3)C[C@H]1C ZINC000900797813 623497957 /nfs/dbraw/zinc/49/79/57/623497957.db2.gz ANUMMMSCKSTUOL-INMHGKMJSA-N 2 0 293.455 1.804 10 0 CDAERP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC000901255802 624073452 /nfs/dbraw/zinc/07/34/52/624073452.db2.gz KBVSIRGTFAPNFH-CYBMUJFWSA-N 2 0 279.428 1.271 10 0 CDAERP COc1cc(CON=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)on1 ZINC000902614512 625028196 /nfs/dbraw/zinc/02/81/96/625028196.db2.gz YTXPJITVZLTKHU-FGWVZKOKSA-N 2 0 294.355 1.554 10 0 CDAERP CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903432665 625990291 /nfs/dbraw/zinc/99/02/91/625990291.db2.gz JRSCJFHMKHXOIU-QXSJWSMHSA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)NC(=O)[C@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903464874 625996220 /nfs/dbraw/zinc/99/62/20/625996220.db2.gz YWDHRSDQQHSNPW-RDBSUJKOSA-N 2 0 267.417 1.350 10 0 CDAERP Cc1cnc(OC2CC[NH+](C[C@@H]3CC[C@H]([NH3+])C3)CC2)nc1 ZINC000903463780 625996529 /nfs/dbraw/zinc/99/65/29/625996529.db2.gz MHHVISICNCKSFA-KGLIPLIRSA-N 2 0 290.411 1.756 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000903442065 625997255 /nfs/dbraw/zinc/99/72/55/625997255.db2.gz HVSDGFIYZVMXFX-PMPSAXMXSA-N 2 0 281.444 1.029 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000903442195 625997269 /nfs/dbraw/zinc/99/72/69/625997269.db2.gz JPYIBZCEKCXJMD-QLFBSQMISA-N 2 0 251.418 1.402 10 0 CDAERP CCc1cnc(N2CC[NH+](C[C@@H]3CC[C@H]([NH3+])C3)CC2)s1 ZINC000903444031 625998041 /nfs/dbraw/zinc/99/80/41/625998041.db2.gz NNNMHCINJFOGHJ-OLZOCXBDSA-N 2 0 294.468 1.955 10 0 CDAERP [NH3+][C@@H]1CC[C@H](CN2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000903453722 626001083 /nfs/dbraw/zinc/00/10/83/626001083.db2.gz JUAODMMTSFOMMV-LJISPDSOSA-N 2 0 251.418 1.720 10 0 CDAERP OCC[NH2+]C1CC[NH+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CC1 ZINC000903477091 626005383 /nfs/dbraw/zinc/00/53/83/626005383.db2.gz TXAZQQWJBRGJHY-LMKPVCQUSA-N 2 0 274.355 1.324 10 0 CDAERP CC(C)OC(=O)C1CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903482112 626006403 /nfs/dbraw/zinc/00/64/03/626006403.db2.gz XPERERSKGRPLPK-OCCSQVGLSA-N 2 0 268.401 1.506 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ccccc1C)C2 ZINC000903491932 626010922 /nfs/dbraw/zinc/01/09/22/626010922.db2.gz GSNVOEIZNXXCMZ-UXLLHSPISA-N 2 0 288.391 1.707 10 0 CDAERP C[C@H](C1CC1)N(C(=O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1)C1CC1 ZINC000903496728 626011976 /nfs/dbraw/zinc/01/19/76/626011976.db2.gz AIJCQJDTPNBYCY-UMVBOHGHSA-N 2 0 293.455 1.693 10 0 CDAERP C[C@]1(C2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)COC(=O)N1 ZINC000903563720 626020276 /nfs/dbraw/zinc/02/02/76/626020276.db2.gz KEZNUQIRRKJJQQ-SWLSCSKDSA-N 2 0 281.400 1.197 10 0 CDAERP C[C@@]1(C2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)COC(=O)N1 ZINC000903564461 626020700 /nfs/dbraw/zinc/02/07/00/626020700.db2.gz WGSLFXDNCLZNJG-BBRMVZONSA-N 2 0 295.427 1.587 10 0 CDAERP C(C1CC1)[C@@H]1COCC[N@@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903788053 626094455 /nfs/dbraw/zinc/09/44/55/626094455.db2.gz BCBRNSZMCFHSQV-PMPSAXMXSA-N 2 0 280.412 1.256 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCSC[C@H]2C)cnn1C ZINC000903892059 626127263 /nfs/dbraw/zinc/12/72/63/626127263.db2.gz GGSLAJPEGZSRLG-DGCLKSJQSA-N 2 0 282.457 1.283 10 0 CDAERP CC[C@@H]1CC[N@H+](C[C@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903900147 626138127 /nfs/dbraw/zinc/13/81/27/626138127.db2.gz ZSJJDUWGIPXAJV-KGLIPLIRSA-N 2 0 264.417 1.578 10 0 CDAERP c1nnn([C@H]2CCC[NH2+]C2)c1C[NH2+]CCc1ccccc1 ZINC000903922874 626147986 /nfs/dbraw/zinc/14/79/86/626147986.db2.gz GKKFYHUKPXRDPN-HNNXBMFYSA-N 2 0 285.395 1.535 10 0 CDAERP [NH3+][C@H](CC(F)F)CN1CCCC[C@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000903931771 626151598 /nfs/dbraw/zinc/15/15/98/626151598.db2.gz HVHSOWHWYUGDMJ-NDBYEHHHSA-N 2 0 291.386 1.330 10 0 CDAERP COCC[NH2+]C1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903931244 626151727 /nfs/dbraw/zinc/15/17/27/626151727.db2.gz BJXDQJLVMBTBLZ-VHRNVKJDSA-N 3 0 281.444 1.217 10 0 CDAERP COC(=O)NC1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903932972 626152744 /nfs/dbraw/zinc/15/27/44/626152744.db2.gz ISAQEDBPJQLRMI-QXMXGUDHSA-N 2 0 281.400 1.337 10 0 CDAERP C([NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903935064 626153498 /nfs/dbraw/zinc/15/34/98/626153498.db2.gz LRQYEWNFJPKWPS-KWNWFGNVSA-N 2 0 262.397 1.530 10 0 CDAERP c1nnn([C@@H]2CCC[NH2+]C2)c1C[NH2+][C@H]1CCCC12CC2 ZINC000903935427 626154229 /nfs/dbraw/zinc/15/42/29/626154229.db2.gz PIZQCDMVAJKYDL-OCCSQVGLSA-N 2 0 275.400 1.625 10 0 CDAERP Nc1cc[nH+]c(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000903953835 626165951 /nfs/dbraw/zinc/16/59/51/626165951.db2.gz KUDSQQIZTAUBEI-QLFBSQMISA-N 2 0 260.385 1.674 10 0 CDAERP CC[N@@H+]1CC[C@H](NC[C@H]2C[NH2+]CCC2(F)F)[C@@H](C)C1 ZINC000903956388 626167416 /nfs/dbraw/zinc/16/74/16/626167416.db2.gz KKDNRXHBNLGXEM-XQQFMLRXSA-N 2 0 275.387 1.551 10 0 CDAERP C[C@@H]1C[C@H](CN2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)CC[NH2+]1 ZINC000903983209 626168228 /nfs/dbraw/zinc/16/82/28/626168228.db2.gz CQWIQEUNIIUQMH-WYUUTHIRSA-N 2 0 279.350 1.586 10 0 CDAERP Cc1nn(C)c(C)c1C[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903974588 626169170 /nfs/dbraw/zinc/16/91/70/626169170.db2.gz RHILZWKEPFSYNF-ZWNOBZJWSA-N 2 0 250.390 1.372 10 0 CDAERP CC(C)[C@@H](C[NH3+])CN1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903981808 626170681 /nfs/dbraw/zinc/17/06/81/626170681.db2.gz HDCAFJDBAUBIAO-IVZWLZJFSA-N 2 0 253.312 1.039 10 0 CDAERP CC(C)(/C=C/Cl)[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903987417 626175001 /nfs/dbraw/zinc/17/50/01/626175001.db2.gz GDFCSKYYSFJTCR-QRGHLMKCSA-N 2 0 283.807 1.823 10 0 CDAERP c1cc(OCC2CC2)ccc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000904396711 626273581 /nfs/dbraw/zinc/27/35/81/626273581.db2.gz NHUAZWIRTUXDQH-UHFFFAOYSA-N 2 0 289.423 1.470 10 0 CDAERP CON1CC[C@@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)C1=O ZINC000905004323 626372415 /nfs/dbraw/zinc/37/24/15/626372415.db2.gz HDUZORMGTLLXCY-NEPJUHHUSA-N 2 0 271.405 1.105 10 0 CDAERP C[C@H]1[C@H](NC(=S)NCC(C)(C)C[NH+](C)C)CC[N@@H+]1C ZINC000905651457 626899955 /nfs/dbraw/zinc/89/99/55/626899955.db2.gz WDEYTIMLNGOXID-NWDGAFQWSA-N 2 0 286.489 1.131 10 0 CDAERP CC(C)(CNC(=O)C12CC[NH+](CC1)C2)C[NH+]1CCCC1 ZINC000907710822 627799731 /nfs/dbraw/zinc/79/97/31/627799731.db2.gz YFWPFTWFRGTTNE-UHFFFAOYSA-N 2 0 279.428 1.320 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000913290810 630438284 /nfs/dbraw/zinc/43/82/84/630438284.db2.gz RWMFDLKSOFLEMI-DJIMGWMZSA-N 2 0 293.455 1.661 10 0 CDAERP C[C@@H]1C[C@H]([N@H+](C)C[C@H]2CCC3(COC3)O2)CCN1C ZINC000929781641 630947299 /nfs/dbraw/zinc/94/72/99/630947299.db2.gz JYDYKDPDIIFBFS-MGPQQGTHSA-N 2 0 268.401 1.349 10 0 CDAERP CC(C)[NH2+]CCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001266741527 1158796982 /nfs/dbraw/zinc/79/69/82/1158796982.db2.gz XSYJZNXFSQETNE-ZIAGYGMSSA-N 2 0 267.417 1.460 10 0 CDAERP CN(C(=O)C[C@H]([NH3+])C(C)(C)C)[C@H]1C[NH+]2CCC1CC2 ZINC000394119144 1159537741 /nfs/dbraw/zinc/53/77/41/1159537741.db2.gz VDPGJOLWCAFTCN-STQMWFEESA-N 2 0 267.417 1.303 10 0 CDAERP CCCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001268379168 1159914972 /nfs/dbraw/zinc/91/49/72/1159914972.db2.gz OXKZMTFQBBIHET-UONOGXRCSA-N 2 0 269.433 1.755 10 0 CDAERP C[NH+]1CCC2(CCN2C(=O)NC[C@H]2CCCC[N@@H+]2C)CC1 ZINC001649310063 1161194901 /nfs/dbraw/zinc/19/49/01/1161194901.db2.gz WDMDJUSNFHZGPG-CQSZACIVSA-N 2 0 294.443 1.350 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)N(C)Cc1cncs1 ZINC001485285564 1161273853 /nfs/dbraw/zinc/27/38/53/1161273853.db2.gz FQJZKNNUFHMLEG-AAEUAGOBSA-N 2 0 296.440 1.174 10 0 CDAERP CC(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001410929389 1161964277 /nfs/dbraw/zinc/96/42/77/1161964277.db2.gz QCOMOSFEACTZTA-BZUAXINKSA-N 2 0 295.471 1.811 10 0 CDAERP C[C@@H]1CC[C@@H]([NH2+]CCCC[NH+](C)C)[C@@H](n2cncn2)C1 ZINC000340466893 1164325451 /nfs/dbraw/zinc/32/54/51/1164325451.db2.gz FKIZAJVVNHGXLK-KFWWJZLASA-N 2 0 279.432 1.939 10 0 CDAERP COC(=O)c1cc(C[NH+]2CCC(C[NH3+])CC2)ccc1C ZINC000872142452 1165383491 /nfs/dbraw/zinc/38/34/91/1165383491.db2.gz WLCHZOWAHLZKTH-UHFFFAOYSA-N 2 0 276.380 1.952 10 0 CDAERP CCC[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001611482671 1165497136 /nfs/dbraw/zinc/49/71/36/1165497136.db2.gz VHROZAMAAHKCAQ-UONOGXRCSA-N 2 0 267.417 1.271 10 0 CDAERP C[N@@H+]1C[C@@H]2C[NH+](C[C@H]3CCCC[C@@H]3O)C[C@]2(C)C1 ZINC001620628462 1165662357 /nfs/dbraw/zinc/66/23/57/1165662357.db2.gz NYUCDDMCUYXVIN-KBXIAJHMSA-N 2 0 252.402 1.421 10 0 CDAERP CC(C)C[NH2+]CC(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC001645884708 1167552005 /nfs/dbraw/zinc/55/20/05/1167552005.db2.gz QLOBDALMLRQUTC-UHFFFAOYSA-N 2 0 296.440 1.794 10 0 CDAERP [NH3+][C@@H]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001645893772 1167557683 /nfs/dbraw/zinc/55/76/83/1167557683.db2.gz XZQKEUHJIXPTLE-OWCLPIDISA-N 2 0 293.455 1.838 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CC[C@@H]2C[NH+](C)C[C@@H]12 ZINC001646954353 1168284923 /nfs/dbraw/zinc/28/49/23/1168284923.db2.gz VNSSVWSFOFYFSE-KBUPBQIOSA-N 2 0 294.443 1.110 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)[C@H]1CCCC[C@@H]1[NH3+])c1ccsc1 ZINC001647249054 1168490244 /nfs/dbraw/zinc/49/02/44/1168490244.db2.gz OOXDQCPCZCEHQG-MELADBBJSA-N 2 0 295.452 1.985 10 0 CDAERP CC(=O)N1CCC([N@H+]2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC001647461404 1168727800 /nfs/dbraw/zinc/72/78/00/1168727800.db2.gz YTBFWNSCDIVJKS-MRXNPFEDSA-N 2 0 297.443 1.040 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CCF)C1 ZINC001568294140 1169228910 /nfs/dbraw/zinc/22/89/10/1169228910.db2.gz UHIPLNYAWGZUMR-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP CCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC001649858253 1169440324 /nfs/dbraw/zinc/44/03/24/1169440324.db2.gz SEWKHQZGQNHXCA-DOTOQJQBSA-N 2 0 293.455 1.853 10 0 CDAERP C[C@@H](F)CC[NH2+]CC[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001568710902 1169441239 /nfs/dbraw/zinc/44/12/39/1169441239.db2.gz SQVGOZQZQQTBAQ-CHWSQXEVSA-N 2 0 273.396 1.315 10 0 CDAERP Cc1ccc(CC[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C)cc1 ZINC001569016014 1169597640 /nfs/dbraw/zinc/59/76/40/1169597640.db2.gz ISQHFHMFABFTMY-OAHLLOKOSA-N 2 0 291.439 1.584 10 0 CDAERP CC(C)C[NH2+]C[C@@H](NC(=O)C[N@H+](C)C(C)C)C1CC1 ZINC001569329501 1169768451 /nfs/dbraw/zinc/76/84/51/1169768451.db2.gz OTGUBKXVFBCZCU-CQSZACIVSA-N 2 0 269.433 1.467 10 0 CDAERP CC/C=C\CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001571191472 1170343874 /nfs/dbraw/zinc/34/38/74/1170343874.db2.gz DDNZNESHDMXZKR-PVPAMPSESA-N 2 0 293.455 1.779 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NCC12CCC[NH+](CCC1)C2 ZINC001650574146 1171197510 /nfs/dbraw/zinc/19/75/10/1171197510.db2.gz FCJXZBNIDAGQFY-AWEZNQCLSA-N 2 0 293.455 1.851 10 0 CDAERP CCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[C@H]2C[NH+](C)C[C@@H]21 ZINC001650608223 1171234725 /nfs/dbraw/zinc/23/47/25/1171234725.db2.gz YKWYXXKQHLRBAQ-CAOSSQGBSA-N 2 0 293.455 1.707 10 0 CDAERP CCC[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001662728430 1172587073 /nfs/dbraw/zinc/58/70/73/1172587073.db2.gz OPKQYXLCGHHNGP-HNNXBMFYSA-N 2 0 281.444 1.711 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001667772739 1173323243 /nfs/dbraw/zinc/32/32/43/1173323243.db2.gz ZGJDWDXOKCMVRD-LSDHHAIUSA-N 2 0 281.444 1.757 10 0 CDAERP CCCC[NH2+]C[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001669446504 1173551178 /nfs/dbraw/zinc/55/11/78/1173551178.db2.gz LHLPFXNKMLIFJY-OLZOCXBDSA-N 2 0 255.406 1.223 10 0 CDAERP C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C[NH2+]CCCF ZINC001672287209 1173763778 /nfs/dbraw/zinc/76/37/78/1173763778.db2.gz NNXOQTMHKWLEOH-KBPBESRZSA-N 2 0 299.434 1.514 10 0 CDAERP C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1[NH2+]CCCF ZINC001673893705 1173894888 /nfs/dbraw/zinc/89/48/88/1173894888.db2.gz ZGURFKQELGMPJN-UONOGXRCSA-N 2 0 299.434 1.657 10 0 CDAERP COCC[N@H+](C)CCC[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000119540445 1175139557 /nfs/dbraw/zinc/13/95/57/1175139557.db2.gz BBSSEIVZTYIFGB-UHFFFAOYSA-N 2 0 294.395 1.516 10 0 CDAERP CC[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC)[NH+](C)C ZINC001690310693 1175433280 /nfs/dbraw/zinc/43/32/80/1175433280.db2.gz QDBNHEZMEIMOMU-GSPSYOTPSA-N 2 0 267.417 1.458 10 0 CDAERP CC/C=C/CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001690356303 1175447815 /nfs/dbraw/zinc/44/78/15/1175447815.db2.gz CWOHBGUJKHAVHC-TXSMSCQPSA-N 2 0 293.455 1.921 10 0 CDAERP CCC/C=C\CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001690366963 1175451194 /nfs/dbraw/zinc/45/11/94/1175451194.db2.gz WNSZKQTWXZJAOI-YNOVSXENSA-N 2 0 293.455 1.921 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCC1CC1 ZINC001690576967 1175508678 /nfs/dbraw/zinc/50/86/78/1175508678.db2.gz NRFORILISNQDKB-OUCADQQQSA-N 2 0 267.417 1.221 10 0 CDAERP C[NH+]1CCC(C(=O)N[C@](C)(C[NH2+]CCF)C2CC2)CC1 ZINC001698676282 1175892750 /nfs/dbraw/zinc/89/27/50/1175892750.db2.gz OUFJMKMTMASFJG-OAHLLOKOSA-N 2 0 285.407 1.172 10 0 CDAERP CCC[NH2+]CC[C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001698681803 1175894399 /nfs/dbraw/zinc/89/43/99/1175894399.db2.gz FJCKHTISPNMEBE-CVEARBPZSA-N 2 0 295.471 1.957 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001699670123 1176562422 /nfs/dbraw/zinc/56/24/22/1176562422.db2.gz FZUNPIZAZQXNBX-OKILXGFUSA-N 2 0 281.444 1.898 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]2C[NH2+]CCC2CC2)C1 ZINC001699765639 1176613974 /nfs/dbraw/zinc/61/39/74/1176613974.db2.gz KGRKPBYVEJHDEB-CABCVRRESA-N 2 0 279.428 1.319 10 0 CDAERP C[C@H](CCC[NH2+]CCF)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001700681277 1177070837 /nfs/dbraw/zinc/07/08/37/1177070837.db2.gz MFWLGKKEGIRDFW-CHWSQXEVSA-N 2 0 273.396 1.172 10 0 CDAERP C[NH+](C1CCCC1)C(C)(C)C(=O)NCCC[N@H+](C)CCO ZINC001707387007 1178010849 /nfs/dbraw/zinc/01/08/49/1178010849.db2.gz KGLJSKCOUXKHHP-UHFFFAOYSA-N 2 0 299.459 1.070 10 0 CDAERP CC[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001713043679 1178326606 /nfs/dbraw/zinc/32/66/06/1178326606.db2.gz KRFNKMPUSGVPKH-UHFFFAOYSA-N 2 0 267.417 1.319 10 0 CDAERP C[NH+]1CCC(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CCCF)C2)CC1 ZINC001713379441 1178528996 /nfs/dbraw/zinc/52/89/96/1178528996.db2.gz RKXVEBMGGQZPKA-HUUCEWRRSA-N 2 0 299.434 1.705 10 0 CDAERP CN(CC[NH2+]CC1CC(C)(C)C1)C(=O)C[N@H+](C)C1CCC1 ZINC001713599356 1178676102 /nfs/dbraw/zinc/67/61/02/1178676102.db2.gz HYTMJGIUEGISMQ-UHFFFAOYSA-N 2 0 295.471 1.955 10 0 CDAERP CCCCC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001713830089 1178780904 /nfs/dbraw/zinc/78/09/04/1178780904.db2.gz UFJFSISZOYZYTH-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CCCCCF)C2)CC1 ZINC001713958890 1178889820 /nfs/dbraw/zinc/88/98/20/1178889820.db2.gz UCARHBZGNHDTJC-SHTZXODSSA-N 2 0 299.434 1.705 10 0 CDAERP COCC[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001714308634 1179078685 /nfs/dbraw/zinc/07/86/85/1179078685.db2.gz GQISZFYPEKYXNH-HUUCEWRRSA-N 2 0 299.459 1.238 10 0 CDAERP CN(CC[NH2+]CC1CC(C)(C)C1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001714690021 1179332195 /nfs/dbraw/zinc/33/21/95/1179332195.db2.gz IWLYGQAEUIHMFR-CQSZACIVSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)CC[NH2+]CCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001714718529 1179355234 /nfs/dbraw/zinc/35/52/34/1179355234.db2.gz SYKYVRUFLLPRGP-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CC/C=C/CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001714922976 1179454725 /nfs/dbraw/zinc/45/47/25/1179454725.db2.gz OQTHZUDSRMKPNW-CGFBPQRUSA-N 2 0 293.455 1.875 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@](C)(C[NH2+]C/C=C\Cl)C1CC1 ZINC001715119142 1179557912 /nfs/dbraw/zinc/55/79/12/1179557912.db2.gz SGFAJLUBBPPQIZ-VCDPDADVSA-N 2 0 287.835 1.565 10 0 CDAERP COCCC[N@H+](C)CCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001715539895 1179709249 /nfs/dbraw/zinc/70/92/49/1179709249.db2.gz PZOOTQDBQVNCCS-GJZGRUSLSA-N 2 0 299.459 1.286 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC/C=C/C[NH2+]C/C=C/Cl)C1 ZINC001715900035 1179904547 /nfs/dbraw/zinc/90/45/47/1179904547.db2.gz SXMGJLUSZSIAJK-VGDOWDANSA-N 2 0 285.819 1.343 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001715975340 1179957505 /nfs/dbraw/zinc/95/75/05/1179957505.db2.gz AMHFLSFQZALISR-BFHYXJOUSA-N 2 0 267.417 1.387 10 0 CDAERP CC(C)C[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001716293543 1180146352 /nfs/dbraw/zinc/14/63/52/1180146352.db2.gz GXNXFMDZFCXQPL-LLYBFZRZSA-N 2 0 281.444 1.777 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NC/C=C/C[NH2+]CC2CC(C)(C)C2)C1 ZINC001716376323 1180173678 /nfs/dbraw/zinc/17/36/78/1180173678.db2.gz WQTLGZKSOWQMKB-MBVDDHJVSA-N 2 0 293.455 1.636 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC/C=C/C[NH2+]C[C@@H]1CC[C@@H](C)O1 ZINC001716379840 1180174473 /nfs/dbraw/zinc/17/44/73/1180174473.db2.gz VQVPNQCGVHCZIG-MUHKLVGJSA-N 2 0 297.443 1.156 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C[NH2+]CCC(C)(C)C)[NH+](C)C ZINC001716442527 1180212774 /nfs/dbraw/zinc/21/27/74/1180212774.db2.gz CWDFVKKMYNXZGF-QWHCGFSZSA-N 2 0 271.449 1.857 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]CCC(C)C ZINC001716787622 1180415828 /nfs/dbraw/zinc/41/58/28/1180415828.db2.gz FKKPXQSDOPOAEX-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CCF)[NH+](C)C ZINC001716788741 1180416207 /nfs/dbraw/zinc/41/62/07/1180416207.db2.gz UAIXPLKZYNBCJY-STQMWFEESA-N 2 0 273.396 1.123 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H](C[NH2+]CCCF)C1 ZINC001717641989 1180769271 /nfs/dbraw/zinc/76/92/71/1180769271.db2.gz DGTRHRAPSYVLND-RBSFLKMASA-N 2 0 299.434 1.705 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+]CC=C(C)C ZINC001717748698 1180826340 /nfs/dbraw/zinc/82/63/40/1180826340.db2.gz NNNNEWDWSJNJRS-CQSZACIVSA-N 2 0 269.433 1.731 10 0 CDAERP CCC[NH2+]CCCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001723165823 1181520669 /nfs/dbraw/zinc/52/06/69/1181520669.db2.gz UTFSZGVMQUENGR-UHFFFAOYSA-N 2 0 283.460 1.955 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]CCCCCF)CC2)C1 ZINC001723589525 1181591325 /nfs/dbraw/zinc/59/13/25/1181591325.db2.gz FKFYQJSQWVWBCV-CYBMUJFWSA-N 2 0 285.407 1.316 10 0 CDAERP C[NH+]1CCC(C(=O)NC2CC(C[NH2+]C/C=C/Cl)C2)CC1 ZINC001725071634 1181845937 /nfs/dbraw/zinc/84/59/37/1181845937.db2.gz WMMZHUQQWWLSTD-GORDUTHDSA-N 2 0 299.846 1.565 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]CCF)CN1C(=O)CCCC[NH+]1CCCC1 ZINC001725583809 1182060719 /nfs/dbraw/zinc/06/07/19/1182060719.db2.gz DYKFIRIPZHBOMX-LSDHHAIUSA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)=CC[NH2+][C@H](CNC(=O)CC[NH+](C)C)C1CC1 ZINC001731407501 1182368558 /nfs/dbraw/zinc/36/85/58/1182368558.db2.gz WRDXYZWGUKCIJD-CQSZACIVSA-N 2 0 267.417 1.389 10 0 CDAERP CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001731467349 1182400996 /nfs/dbraw/zinc/40/09/96/1182400996.db2.gz HMZQBHFHXONKSN-ZIAGYGMSSA-N 2 0 267.417 1.271 10 0 CDAERP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CCOC1CCC1 ZINC001731599047 1182472505 /nfs/dbraw/zinc/47/25/05/1182472505.db2.gz XPUOWHZHTKOKLK-CYBMUJFWSA-N 2 0 297.443 1.134 10 0 CDAERP CC[NH2+][C@H](C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001731740345 1182542568 /nfs/dbraw/zinc/54/25/68/1182542568.db2.gz QWRHQGMBICPYKV-KGLIPLIRSA-N 2 0 269.433 1.611 10 0 CDAERP CN(CC[NH2+]CC1CC2(CCC2)C1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001731898224 1182663727 /nfs/dbraw/zinc/66/37/27/1182663727.db2.gz LQAPUAHWPIWLEC-OAHLLOKOSA-N 2 0 293.455 1.709 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)CC[NH2+]Cc1cnc(C)s1 ZINC001731972092 1182708499 /nfs/dbraw/zinc/70/84/99/1182708499.db2.gz QCEKSXSIDSUACR-UHFFFAOYSA-N 2 0 298.456 1.341 10 0 CDAERP CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C(C)C ZINC001732562711 1183012056 /nfs/dbraw/zinc/01/20/56/1183012056.db2.gz FKQWDWNGCGTMJD-MELADBBJSA-N 2 0 269.433 1.467 10 0 CDAERP CCC[N@H+](C)CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001732581763 1183027403 /nfs/dbraw/zinc/02/74/03/1183027403.db2.gz OEHMNEUURWHDLJ-CQSZACIVSA-N 2 0 267.417 1.128 10 0 CDAERP CC(C)C[NH2+]CC[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001732752600 1183108902 /nfs/dbraw/zinc/10/89/02/1183108902.db2.gz GUWKHZHUSXABTN-ZDUSSCGKSA-N 2 0 255.406 1.223 10 0 CDAERP CC[C@@H](F)C[NH2+]CCN(CC)C(=O)C1CC[NH+](C)CC1 ZINC001732792552 1183127296 /nfs/dbraw/zinc/12/72/96/1183127296.db2.gz ALIYXVLXUDYRGB-CQSZACIVSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC[C@H](C)F ZINC001732849464 1183158354 /nfs/dbraw/zinc/15/83/54/1183158354.db2.gz FKVMLVKVDDEVNV-VQGNRHNMSA-N 2 0 299.434 1.869 10 0 CDAERP CCC/C=C\CC[NH2+]C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001733019883 1183241550 /nfs/dbraw/zinc/24/15/50/1183241550.db2.gz LCWFUFGIWWHDLO-YVACAVLKSA-N 2 0 293.455 1.923 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](CC[NH2+]CCF)C1 ZINC001733676832 1183496014 /nfs/dbraw/zinc/49/60/14/1183496014.db2.gz PLWLKVARDQIJRS-CYBMUJFWSA-N 2 0 273.396 1.124 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)CC ZINC001734039954 1183629152 /nfs/dbraw/zinc/62/91/52/1183629152.db2.gz UWZOLQPMTZYVST-QWHCGFSZSA-N 2 0 255.406 1.317 10 0 CDAERP CCCC[NH2+][C@@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001734354935 1183744684 /nfs/dbraw/zinc/74/46/84/1183744684.db2.gz RQMKGPVIRPQADA-ZDUSSCGKSA-N 2 0 255.406 1.319 10 0 CDAERP CCC[N@H+]1CC=C(CNC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001734625585 1183852504 /nfs/dbraw/zinc/85/25/04/1183852504.db2.gz KUNNQSILKGFWTL-HNNXBMFYSA-N 2 0 299.434 1.825 10 0 CDAERP c1csc([C@@H]2CC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)n1 ZINC000710467922 758869196 /nfs/dbraw/zinc/86/91/96/758869196.db2.gz PNOJJNCZAVQRJA-NWDGAFQWSA-N 2 0 251.399 1.932 10 0 CDAERP COC1(OC)CC[N@H+](CCCCn2ccnc2C)C[C@@H]1O ZINC000931635779 758879800 /nfs/dbraw/zinc/87/98/00/758879800.db2.gz XKVORGFXXGMMJA-AWEZNQCLSA-N 2 0 297.399 1.027 10 0 CDAERP CCN(CCC[NH+](CC)CC)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000925335818 758956189 /nfs/dbraw/zinc/95/61/89/758956189.db2.gz YMEKTVJHWXAOGP-CABCVRRESA-N 2 0 298.475 1.842 10 0 CDAERP C[C@H]1CCCCN1C(=O)C[N@H+](C)CCCCCC[NH3+] ZINC000710835669 768888018 /nfs/dbraw/zinc/88/80/18/768888018.db2.gz YJKRFESSZHXCDD-AWEZNQCLSA-N 2 0 269.433 1.838 10 0 CDAERP Cc1cc(C)c(CN2CC[NH2+]CC[NH2+]CC2)c(C)n1 ZINC000923461330 769503295 /nfs/dbraw/zinc/50/32/95/769503295.db2.gz VYALRVPLHGAVOK-UHFFFAOYSA-N 2 0 262.401 1.002 10 0 CDAERP [NH3+]CCCCCCNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000831290469 768839751 /nfs/dbraw/zinc/83/97/51/768839751.db2.gz AQNRJVSDOVGOSS-HNNXBMFYSA-N 2 0 282.432 1.291 10 0 CDAERP CC[NH+](CC)CCCN1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872150965 768861896 /nfs/dbraw/zinc/86/18/96/768861896.db2.gz HTSSLDFEYXQEFN-NEPJUHHUSA-N 2 0 281.366 1.787 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000864069036 768880569 /nfs/dbraw/zinc/88/05/69/768880569.db2.gz XDJJEXLUMRHXJO-ZDUSSCGKSA-N 2 0 279.428 1.319 10 0 CDAERP COc1ccc([C@H](C[NH3+])C[N@@H+]2C[C@H](O)CC(C)(C)C2)cc1 ZINC000866702390 769052262 /nfs/dbraw/zinc/05/22/62/769052262.db2.gz AIDWNQCEGXKZKK-HUUCEWRRSA-N 2 0 292.423 1.830 10 0 CDAERP CN1C(=O)c2ccccc2[C@H]1CN[C@H]1CC[NH2+]C12CCC2 ZINC000925716978 769057018 /nfs/dbraw/zinc/05/70/18/769057018.db2.gz HDFZTZDKISVWJT-CABCVRRESA-N 2 0 285.391 1.688 10 0 CDAERP Cc1cc(C[NH+](C)C)cc(NC(=O)C2=NO[C@@H](C[NH3+])C2)c1 ZINC000852886031 769174474 /nfs/dbraw/zinc/17/44/74/769174474.db2.gz FTXMVLUAJAGYPC-CYBMUJFWSA-N 2 0 290.367 1.099 10 0 CDAERP C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923503121 769330025 /nfs/dbraw/zinc/33/00/25/769330025.db2.gz GTCGMKAQXSZIIF-ILXRZTDVSA-N 2 0 281.444 1.550 10 0 CDAERP Cc1cc(C(=O)NCCN(C)CCC[NH+](C)C)ccc1N ZINC000852847574 769373118 /nfs/dbraw/zinc/37/31/18/769373118.db2.gz UTVGENDUBPHIHI-UHFFFAOYSA-N 2 0 292.427 1.191 10 0 CDAERP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000724570842 769379111 /nfs/dbraw/zinc/37/91/11/769379111.db2.gz UROMLLQMKTYCSU-IGQOVBAYSA-N 2 0 256.390 1.096 10 0 CDAERP C[NH2+]C[C@H](C)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000870993804 769407218 /nfs/dbraw/zinc/40/72/18/769407218.db2.gz MVHAZEDCVNMUTM-FZMZJTMJSA-N 2 0 255.406 1.065 10 0 CDAERP C([C@H]1CCC2(CCC2)O1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000712453213 769552073 /nfs/dbraw/zinc/55/20/73/769552073.db2.gz SFHZNOVMCVKKNB-MCIONIFRSA-N 2 0 250.386 1.772 10 0 CDAERP CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000921437977 769562737 /nfs/dbraw/zinc/56/27/37/769562737.db2.gz MMKKLYFSYIYAHO-MJBXVCDLSA-N 2 0 282.432 1.253 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](C)[C@H](O)c1ccc2c(c1)OCO2 ZINC000817927339 769688231 /nfs/dbraw/zinc/68/82/31/769688231.db2.gz JPORROISDZJQGS-DDIVZENXSA-N 2 0 280.368 1.553 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2cccc(F)c2)C12CCC2 ZINC000925502950 769713073 /nfs/dbraw/zinc/71/30/73/769713073.db2.gz MFILODLOVQEFMK-BPLDGKMQSA-N 2 0 294.370 1.425 10 0 CDAERP CC1(C)[C@H](C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1(F)F ZINC000925704767 769754069 /nfs/dbraw/zinc/75/40/69/769754069.db2.gz FEXSZMHLEUNUIA-KUYXLPFXSA-N 2 0 256.340 1.864 10 0 CDAERP C[NH+](C)CC1CC[NH+](CN2C[C@@H]3CCC[C@H]3C2=O)CC1 ZINC000839998173 769754959 /nfs/dbraw/zinc/75/49/59/769754959.db2.gz HBWLXUGASBYLBU-LSDHHAIUSA-N 2 0 279.428 1.476 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+]Cc1ccnc(F)c1C ZINC000862324176 769819573 /nfs/dbraw/zinc/81/95/73/769819573.db2.gz FBGZQQNDMFXBFG-UHFFFAOYSA-N 2 0 283.391 1.977 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(C[NH3+])c2)[C@H](C)C1 ZINC000844188672 769829771 /nfs/dbraw/zinc/82/97/71/769829771.db2.gz XPQFXMZIVINNJV-CZUORRHYSA-N 2 0 289.423 1.948 10 0 CDAERP CC(C)[NH2+]CCC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000720885923 769829797 /nfs/dbraw/zinc/82/97/97/769829797.db2.gz FUYMOHKKFUARTO-QWHCGFSZSA-N 2 0 253.390 1.070 10 0 CDAERP C[NH2+]C[C@H](C)NC(=O)C[C@@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000852920437 769844824 /nfs/dbraw/zinc/84/48/24/769844824.db2.gz BOKFBHNWZBDAKN-GXSJLCMTSA-N 2 0 284.791 1.157 10 0 CDAERP C(c1noc([C@@H]2CCC[NH2+]C2)n1)C1CC[NH2+]CC1 ZINC000257886952 769882314 /nfs/dbraw/zinc/88/23/14/769882314.db2.gz BXLVFWRQQJWNTR-LLVKDONJSA-N 2 0 250.346 1.079 10 0 CDAERP CC[NH+](CC)C[C@@H]1CCN(CCC[NH2+]C2CC2)C1 ZINC000923327371 769883672 /nfs/dbraw/zinc/88/36/72/769883672.db2.gz SCYDHAKMVJUHAG-AWEZNQCLSA-N 2 0 253.434 1.792 10 0 CDAERP Cc1nnsc1[C@H](C)N(C)CCC[N@H+](C)CCN(C)C ZINC000930499701 769890456 /nfs/dbraw/zinc/89/04/56/769890456.db2.gz MYGMQIVNSBWTOS-ZDUSSCGKSA-N 2 0 299.488 1.723 10 0 CDAERP CC1CCC(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)CC1 ZINC000089577877 769894072 /nfs/dbraw/zinc/89/40/72/769894072.db2.gz VMYJBMUHLJEUEV-UHFFFAOYSA-N 2 0 267.417 1.176 10 0 CDAERP CC1(C)[C@@H](NC[C@]23CCC[C@H]2[NH2+]CC3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925838345 769895282 /nfs/dbraw/zinc/89/52/82/769895282.db2.gz LMZRCPYXVSVGHS-LFYQSXPISA-N 2 0 277.456 1.885 10 0 CDAERP O=C1CC2(CCC2)[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1 ZINC000923421182 769895534 /nfs/dbraw/zinc/89/55/34/769895534.db2.gz MBAOWANHFNITFY-GOOCMWNKSA-N 2 0 291.439 1.652 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1nnc2ccccn21 ZINC000924576078 769897140 /nfs/dbraw/zinc/89/71/40/769897140.db2.gz WDMALFPEWWSHLG-OCZCAGDBSA-N 2 0 285.395 1.202 10 0 CDAERP C[C@@H]1[C@H](NC(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)CC[N@@H+]1C ZINC000925333940 770051127 /nfs/dbraw/zinc/05/11/27/770051127.db2.gz YBKKPDANJXYHSY-KBUPBQIOSA-N 2 0 294.443 1.205 10 0 CDAERP CC[N@H+](CCNC(=O)N1CC[C@H]2[C@@H](CC[NH+]2C)C1)C1CC1 ZINC000868218632 770072237 /nfs/dbraw/zinc/07/22/37/770072237.db2.gz IBANPENRSVMIOD-ZFWWWQNUSA-N 2 0 294.443 1.206 10 0 CDAERP C1=CO[C@@H](C[NH2+]CCCC[NH+]2CCOCC2)CC1 ZINC000194214929 770073813 /nfs/dbraw/zinc/07/38/13/770073813.db2.gz CHXFEFDEYFJRJU-CQSZACIVSA-N 2 0 254.374 1.381 10 0 CDAERP COC(=O)[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000931547124 770139433 /nfs/dbraw/zinc/13/94/33/770139433.db2.gz CAXCABWVAKZRTK-KLHDSHLOSA-N 2 0 294.439 1.992 10 0 CDAERP Cn1cncc1CC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000703618045 770534906 /nfs/dbraw/zinc/53/49/06/770534906.db2.gz KMPWHHGZXFKOBR-HZSPNIEDSA-N 2 0 262.401 1.329 10 0 CDAERP [NH3+]Cc1cccc(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000818592204 770584518 /nfs/dbraw/zinc/58/45/18/770584518.db2.gz PGORHZVBIWZDBM-MRXNPFEDSA-N 2 0 273.380 1.361 10 0 CDAERP C[C@@H](NCC(C)(C)CS(C)(=O)=O)[C@@H]1CCCC[NH2+]1 ZINC000723848732 770613389 /nfs/dbraw/zinc/61/33/89/770613389.db2.gz GAZZVGSIALHLJA-NEPJUHHUSA-N 2 0 276.446 1.177 10 0 CDAERP [NH3+]CCC[C@H](NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)c1ccccc1 ZINC000870944961 770785831 /nfs/dbraw/zinc/78/58/31/770785831.db2.gz GHFVRFZKTHTIBD-AESZEHBQSA-N 2 0 287.407 1.710 10 0 CDAERP COC(=O)c1ccccc1C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923496159 770828910 /nfs/dbraw/zinc/82/89/10/770828910.db2.gz FZZYQNSRPGXMKE-QWHCGFSZSA-N 2 0 276.380 1.890 10 0 CDAERP CS[C@H](CO)[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925610391 770829713 /nfs/dbraw/zinc/82/97/13/770829713.db2.gz DKNXYZBTUGDCLP-IRCOFANPSA-N 2 0 260.447 1.594 10 0 CDAERP O=C1C[C@H](C[NH2+][C@H]2CCCN3CCCC[C@@H]23)CN1C1CC1 ZINC000926653888 770842328 /nfs/dbraw/zinc/84/23/28/770842328.db2.gz INCNTPNPZCLAOW-KBMXLJTQSA-N 2 0 291.439 1.604 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCOCC(=O)OC(C)(C)C ZINC000926785862 770842792 /nfs/dbraw/zinc/84/27/92/770842792.db2.gz KVHZYXFDIAKBKB-NNQSOWQGSA-N 2 0 298.427 1.275 10 0 CDAERP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CN3C[C@@H]2CCC3)C[C@H](C)O1 ZINC000925441269 770850393 /nfs/dbraw/zinc/85/03/93/770850393.db2.gz YYCDLLCISJGHAB-VVLHAWIVSA-N 2 0 295.471 1.560 10 0 CDAERP C[C@@H]1C[C@H](C[NH+]2CCC(O)(C[NH+](C)C)CC2)C[C@H](C)O1 ZINC000724383400 770858855 /nfs/dbraw/zinc/85/88/55/770858855.db2.gz CDPOGADHKUTORU-FICVDOATSA-N 2 0 284.444 1.579 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC1 ZINC000870876438 770858879 /nfs/dbraw/zinc/85/88/79/770858879.db2.gz AUBAKCZQSORPJP-YCPHGPKFSA-N 2 0 279.428 1.352 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1cc(C)cc(Cl)n1 ZINC000817929033 770865896 /nfs/dbraw/zinc/86/58/96/770865896.db2.gz COVBAHQHSQJRMW-LLVKDONJSA-N 2 0 271.792 1.887 10 0 CDAERP C[C@H](C[NH2+][C@H]1CCCN2CCCC[C@H]12)N1CC[NH+](C)CC1 ZINC000924964254 770872573 /nfs/dbraw/zinc/87/25/73/770872573.db2.gz JWKOUEZUHJQTEY-IXDOHACOSA-N 2 0 294.487 1.229 10 0 CDAERP CCn1nc(C)c(CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)n1 ZINC000823949473 770887926 /nfs/dbraw/zinc/88/79/26/770887926.db2.gz IJOHOVRKDSXHEA-AGUYFDCRSA-N 2 0 277.416 1.711 10 0 CDAERP C[NH+](C)CCC[C@H]1C[N@H+](CC2(O)CCCCC2)CCO1 ZINC000852760539 771020530 /nfs/dbraw/zinc/02/05/30/771020530.db2.gz HWWCEXDBTZZHBQ-HNNXBMFYSA-N 2 0 284.444 1.724 10 0 CDAERP C[C@H]1C[C@H]1NC(=[NH2+])NCC[N@H+](C)C1CCCCC1 ZINC000864451758 771057627 /nfs/dbraw/zinc/05/76/27/771057627.db2.gz JPOMISNZVREKFI-WCQYABFASA-N 2 0 252.406 1.773 10 0 CDAERP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1CCC[C@H](CO)C1)[NH2+]2 ZINC000709287897 771102013 /nfs/dbraw/zinc/10/20/13/771102013.db2.gz MGAHUZJFJWIZPH-DXUDUQDWSA-N 2 0 252.402 1.656 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@@H]2CCCc3occc32)CC1 ZINC000925809944 771153341 /nfs/dbraw/zinc/15/33/41/771153341.db2.gz CFEQRRFUUXVDCM-CQSZACIVSA-N 2 0 263.385 1.670 10 0 CDAERP CO[C@H]1C[C@H]([NH2+]CCOCC[NH+](C)C)C12CCC2 ZINC000308341034 771155468 /nfs/dbraw/zinc/15/54/68/771155468.db2.gz BOVJNBWQTWGRQM-STQMWFEESA-N 2 0 256.390 1.112 10 0 CDAERP CCOC(=O)N1CC[C@H]([NH2+][C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925643022 771179770 /nfs/dbraw/zinc/17/97/70/771179770.db2.gz VADZCZXWRYXTMV-SRVKXCTJSA-N 2 0 267.373 1.077 10 0 CDAERP [NH2+]=C(NCc1ccc2c[nH+]cn2c1)NC1CCCC1 ZINC000849040130 771200427 /nfs/dbraw/zinc/20/04/27/771200427.db2.gz MROLSRJJINXDIS-UHFFFAOYSA-N 2 0 257.341 1.891 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C[C@@H]2CN(C3CC3)C(=O)O2)CC[N@@H+]1C ZINC000844300013 771286678 /nfs/dbraw/zinc/28/66/78/771286678.db2.gz IIQZBOKJVYCUQO-KWCYVHTRSA-N 2 0 281.400 1.384 10 0 CDAERP C[C@]1(CN2CC[N@@H+]3CCCC[C@H]3C2)CCC[NH2+]C1 ZINC000250785796 771322991 /nfs/dbraw/zinc/32/29/91/771322991.db2.gz GBHHVFYMGGHMOU-GJZGRUSLSA-N 2 0 251.418 1.546 10 0 CDAERP C[C@@H]1CC[N@H+](C[C@H]2CC3(CCC3)CO2)C[C@H]1C[NH3+] ZINC000872144762 771340439 /nfs/dbraw/zinc/34/04/39/771340439.db2.gz INSOSAGOIHIZQK-MGPQQGTHSA-N 2 0 252.402 1.862 10 0 CDAERP CC[NH+]1CCN(C[C@@H](C)C[NH2+]CC2(O)CCCCC2)CC1 ZINC000819058358 771342090 /nfs/dbraw/zinc/34/20/90/771342090.db2.gz IYKJRYNDZFIMSQ-INIZCTEOSA-N 2 0 297.487 1.545 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](C(C)(C)O)C1 ZINC000721863590 771356824 /nfs/dbraw/zinc/35/68/24/771356824.db2.gz PPMLUUQHQRJKFR-UONOGXRCSA-N 2 0 254.418 1.954 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)C(C)(C)[C@@H]([NH3+])C(C)C ZINC000713026681 771418040 /nfs/dbraw/zinc/41/80/40/771418040.db2.gz ZGYLGLJBHDPAKR-STQMWFEESA-N 2 0 271.449 1.842 10 0 CDAERP C[C@@H](C[NH2+][C@H]1CCOC12CCOCC2)C[NH+](C)C ZINC000926475193 771440551 /nfs/dbraw/zinc/44/05/51/771440551.db2.gz SKVWCTUPPONDRZ-STQMWFEESA-N 2 0 256.390 1.112 10 0 CDAERP C[C@@H](CNC(=O)C=C1CC[NH2+]CC1)[N@@H+]1CCCC[C@H]1C ZINC000852858957 771470545 /nfs/dbraw/zinc/47/05/45/771470545.db2.gz NFDAUJZVAOKCRG-KGLIPLIRSA-N 2 0 279.428 1.675 10 0 CDAERP CCN1C[C@H](CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)OC1=O ZINC000846819330 771481529 /nfs/dbraw/zinc/48/15/29/771481529.db2.gz YNBAFXRTGMEOGD-RDBSUJKOSA-N 2 0 281.400 1.243 10 0 CDAERP C[NH2+]CCC1CC[NH+](CCO[C@@H]2CCOC2)CC1 ZINC000724926207 771547874 /nfs/dbraw/zinc/54/78/74/771547874.db2.gz OYRJGYMBZDSQJN-CQSZACIVSA-N 2 0 256.390 1.113 10 0 CDAERP CN1C[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CCC1=O ZINC000925509796 771828163 /nfs/dbraw/zinc/82/81/63/771828163.db2.gz QCFAWKMUSPQADU-IJLUTSLNSA-N 2 0 253.390 1.103 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)c1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000823167737 771839392 /nfs/dbraw/zinc/83/93/92/771839392.db2.gz KVZVKELNSWRTFA-RKDXNWHRSA-N 2 0 257.297 1.835 10 0 CDAERP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000715471720 771877675 /nfs/dbraw/zinc/87/76/75/771877675.db2.gz ZDGULLCUCOQLRB-XJKCOSOUSA-N 2 0 277.412 1.119 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)C=C1CC[NH2+]CC1)C1CCCCC1 ZINC000852858922 771953223 /nfs/dbraw/zinc/95/32/23/771953223.db2.gz LCOGJCICZAIPQM-INIZCTEOSA-N 2 0 293.455 1.923 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+][C@H](CCO)Cc2ccccc2)C12CCC2 ZINC000925661990 772019701 /nfs/dbraw/zinc/01/97/01/772019701.db2.gz GJXFSRGRTLAVEB-BZUAXINKSA-N 2 0 274.408 1.840 10 0 CDAERP C[NH2+]C1(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CCC1 ZINC000863922509 772035540 /nfs/dbraw/zinc/03/55/40/772035540.db2.gz UMSQYFGYZVRJHP-OAHLLOKOSA-N 2 0 285.407 1.457 10 0 CDAERP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1cccc(C[NH3+])c1 ZINC000251855097 772040981 /nfs/dbraw/zinc/04/09/81/772040981.db2.gz RWDCZTYNBBEIQP-BBRMVZONSA-N 2 0 287.407 1.844 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@]1(O)CCc2ccccc21 ZINC000817918119 772044630 /nfs/dbraw/zinc/04/46/30/772044630.db2.gz SZXLIYHVYISMGM-GOEBONIOSA-N 2 0 278.396 1.164 10 0 CDAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](C[C@H]1CCCCO1)CC2 ZINC000923444158 772048039 /nfs/dbraw/zinc/04/80/39/772048039.db2.gz HJHZTTBTNULTBD-ZIAGYGMSSA-N 2 0 268.401 1.385 10 0 CDAERP C[C@H]([NH2+][C@H]1CCCN2CCSC[C@@H]12)C1CC[NH+](C)CC1 ZINC000718449601 772048166 /nfs/dbraw/zinc/04/81/66/772048166.db2.gz MQSZBEYMPXSNMS-BPUTZDHNSA-N 2 0 297.512 1.886 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc2c(c1)CCC(=O)N2C ZINC000841062568 772070223 /nfs/dbraw/zinc/07/02/23/772070223.db2.gz AOTRXZBFEUXDNH-IUODEOHRSA-N 2 0 287.407 1.683 10 0 CDAERP CC(C)COC[C@@H](O)C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925614334 772078458 /nfs/dbraw/zinc/07/84/58/772078458.db2.gz WMBJZGHTQVFOGE-LJISPDSOSA-N 2 0 284.444 1.386 10 0 CDAERP C[C@@H](CNC(=O)N[C@H]1CC[NH2+]C[C@H]1C)[NH+]1CCCCC1 ZINC000841725334 772084898 /nfs/dbraw/zinc/08/48/98/772084898.db2.gz MHXNPJTWGSCSFU-RDBSUJKOSA-N 2 0 282.432 1.158 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000925726022 772208657 /nfs/dbraw/zinc/20/86/57/772208657.db2.gz PNDSNAKOARGRJI-AAVRWANBSA-N 3 0 253.434 2.000 10 0 CDAERP C[C@@H]1[C@H](NC(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C)C2)CC[N@@H+]1C ZINC000925330234 772327827 /nfs/dbraw/zinc/32/78/27/772327827.db2.gz RJJBNJBVBMKOQN-BARDWOONSA-N 2 0 294.443 1.205 10 0 CDAERP C[NH+](C)CC[C@H]([NH2+]C[C@@H](O)CC(C)(C)O)C(C)(C)C ZINC000872204299 772344424 /nfs/dbraw/zinc/34/44/24/772344424.db2.gz MQIWDGFKJOTRHB-STQMWFEESA-N 2 0 274.449 1.464 10 0 CDAERP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3CC[C@@H](C(F)(F)F)O3)C[C@@H]2C1 ZINC000931443372 772394097 /nfs/dbraw/zinc/39/40/97/772394097.db2.gz VNVBIAGGYSPLLY-XQHKEYJVSA-N 2 0 292.345 1.980 10 0 CDAERP C[C@H](CC1CC1)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925852232 772444982 /nfs/dbraw/zinc/44/49/82/772444982.db2.gz HKJZLOIYUPUQAI-DGCLKSJQSA-N 2 0 266.385 1.450 10 0 CDAERP CC[NH+](CC)C[C@@H](C)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000925488911 772499389 /nfs/dbraw/zinc/49/93/89/772499389.db2.gz WBBFEGUNILLLGN-ZIAGYGMSSA-N 2 0 253.434 1.981 10 0 CDAERP C[C@H](C1CC1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000777691616 772508773 /nfs/dbraw/zinc/50/87/73/772508773.db2.gz MDBJBUBYVSZIHF-CYBMUJFWSA-N 2 0 252.402 1.829 10 0 CDAERP CCNC(=O)C1(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)CCC1 ZINC000925649743 772557533 /nfs/dbraw/zinc/55/75/33/772557533.db2.gz IRRNEAOYKZZVHM-RYUDHWBXSA-N 2 0 265.401 1.152 10 0 CDAERP CC[NH+](CC)CCCNC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000868013856 772562514 /nfs/dbraw/zinc/56/25/14/772562514.db2.gz QZGICCQBUAFRSF-LSDHHAIUSA-N 2 0 296.459 1.454 10 0 CDAERP C[C@]1(C(F)(F)F)C[N@H+](CC2CC[NH2+]CC2)CCO1 ZINC000712724446 772613627 /nfs/dbraw/zinc/61/36/27/772613627.db2.gz WWPIMWFMUOIAFR-LLVKDONJSA-N 2 0 266.307 1.639 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCCCCCC[NH3+])C1 ZINC000848604080 772650656 /nfs/dbraw/zinc/65/06/56/772650656.db2.gz CSJHYAMYWAQIJK-BETUJISGSA-N 2 0 270.421 1.145 10 0 CDAERP CC1(C)C[NH2+][C@@H]1C(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000818553570 772654019 /nfs/dbraw/zinc/65/40/19/772654019.db2.gz ZILXCRDBRNINSS-CQSZACIVSA-N 2 0 273.380 1.423 10 0 CDAERP CCc1noc(C)c1C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923500705 772670297 /nfs/dbraw/zinc/67/02/97/772670297.db2.gz WXMOXEHZDCJOKU-PWSUYJOCSA-N 2 0 251.374 1.962 10 0 CDAERP Cc1cc([C@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)n(C)n1 ZINC000850500791 772721364 /nfs/dbraw/zinc/72/13/64/772721364.db2.gz KAXPPFWVYLGGEB-GJZGRUSLSA-N 2 0 295.475 1.651 10 0 CDAERP CS(=O)(=O)C1CCC(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000925800463 772724552 /nfs/dbraw/zinc/72/45/52/772724552.db2.gz RXKKYIKMGBHABI-CEUNDQEZSA-N 2 0 288.457 1.449 10 0 CDAERP C[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C)[NH+]1CCCCCC1 ZINC000928440095 772770868 /nfs/dbraw/zinc/77/08/68/772770868.db2.gz ASKWYTITPLGECY-MCIONIFRSA-N 2 0 267.417 1.460 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)CCC[NH2+]C2CC2)C[C@H]1C ZINC000923325240 772803216 /nfs/dbraw/zinc/80/32/16/772803216.db2.gz SJGWGYQOIQLPIQ-UKRRQHHQSA-N 2 0 253.434 1.933 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000931663270 772805464 /nfs/dbraw/zinc/80/54/64/772805464.db2.gz JIMVWEPGBUHOOH-ZIAGYGMSSA-N 2 0 267.417 1.412 10 0 CDAERP [NH3+]C[C@@H]1CN(CCC[NH+]2CCCCC2)C[C@H]1C(F)(F)F ZINC000709878726 772806933 /nfs/dbraw/zinc/80/69/33/772806933.db2.gz FWHTUHIDRQBJPQ-CHWSQXEVSA-N 2 0 293.377 1.931 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)CCC23CC(C2)C[NH2+]3)CC1 ZINC000870909895 772830710 /nfs/dbraw/zinc/83/07/10/772830710.db2.gz LDGDMSNISGQSJA-UHFFFAOYSA-N 2 0 293.455 1.755 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)NC[C@H]2CC[NH+]2C(C)(C)C)CC[N@@H+]1C ZINC000923169928 772844869 /nfs/dbraw/zinc/84/48/69/772844869.db2.gz FXNKORMSCWVQCS-UPJWGTAASA-N 2 0 282.432 1.251 10 0 CDAERP CC(C)OC(=O)CC[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923452800 772861600 /nfs/dbraw/zinc/86/16/00/772861600.db2.gz XIHXJWSISPJWGM-CYBMUJFWSA-N 2 0 284.400 1.158 10 0 CDAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CC(=O)N(CC2CC2)C1 ZINC000925770240 772862333 /nfs/dbraw/zinc/86/23/33/772862333.db2.gz ICTVKTBIAIXIPO-FVQBIDKESA-N 2 0 293.455 1.898 10 0 CDAERP CCCCCC[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863551382 772877182 /nfs/dbraw/zinc/87/71/82/772877182.db2.gz KXWBXZQKIHPRSW-CABCVRRESA-N 2 0 295.427 1.824 10 0 CDAERP O=C1OCCN1[C@@H]1CC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923388201 772899184 /nfs/dbraw/zinc/89/91/84/772899184.db2.gz AWKLSHSKZMQANF-JALIKCBVSA-N 2 0 293.411 1.434 10 0 CDAERP C[N@@H+]1CCN(CC[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1(C)C ZINC000925661011 772900393 /nfs/dbraw/zinc/90/03/93/772900393.db2.gz BLUGYMNZBNLZTH-LSDHHAIUSA-N 3 0 296.503 1.508 10 0 CDAERP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccns1 ZINC000716022645 772942520 /nfs/dbraw/zinc/94/25/20/772942520.db2.gz NXLXVJMBVRRDDK-LBPRGKRZSA-N 2 0 268.430 1.431 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@H]1CCCOC1 ZINC000925721994 772990129 /nfs/dbraw/zinc/99/01/29/772990129.db2.gz SBSMMRMSQAZKGG-DYALKNRASA-N 2 0 252.402 1.909 10 0 CDAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CCCS2)C[C@H]1C[NH+](C)C ZINC000870022219 773002775 /nfs/dbraw/zinc/00/27/75/773002775.db2.gz YZNWVVBZEHUUJU-MCIONIFRSA-N 2 0 299.484 1.080 10 0 CDAERP CN(C)c1cccc(C[N@H+](C)C[C@@H]2CC3(C[NH2+]C3)CO2)c1 ZINC000923372101 773030730 /nfs/dbraw/zinc/03/07/30/773030730.db2.gz DFGXFUCZIASECX-INIZCTEOSA-N 2 0 289.423 1.563 10 0 CDAERP C[N@@H+]1CC[C@H](NC[C@]23CCC[C@H]2[NH2+]CC3)[C@H]2CCC[C@@H]21 ZINC000925841335 773041628 /nfs/dbraw/zinc/04/16/28/773041628.db2.gz OKYIYCIUPQOECI-DRRXZNNHSA-N 2 0 277.456 1.981 10 0 CDAERP C[N@@H+]1CCN(C(=O)C2([NH3+])CCCC2)CCC1(C)C ZINC000712672079 773088852 /nfs/dbraw/zinc/08/88/52/773088852.db2.gz GLZBYJTVUVQJLW-UHFFFAOYSA-N 2 0 253.390 1.201 10 0 CDAERP C[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccoc1 ZINC000925855837 773144604 /nfs/dbraw/zinc/14/46/04/773144604.db2.gz QIEKXKKNRQTLEY-YPMHNXCESA-N 2 0 278.352 1.616 10 0 CDAERP CCO[C@@H]1C[N@H+](C[C@H]2CCC3(CCC3)O2)C[C@H]1C[NH3+] ZINC000712484884 773148613 /nfs/dbraw/zinc/14/86/13/773148613.db2.gz KUEGCAMRBINYQV-MGPQQGTHSA-N 2 0 268.401 1.384 10 0 CDAERP C[NH+](C)CCOCC[NH2+]Cc1cnc(Cl)c(F)c1 ZINC000865531434 773308924 /nfs/dbraw/zinc/30/89/24/773308924.db2.gz WOAKVGRLJUWGLQ-UHFFFAOYSA-N 2 0 275.755 1.542 10 0 CDAERP Cn1ncc2cc(C[NH2+]C[C@@H]3CCCC[N@H+](C)C3)cnc21 ZINC000865641531 773306055 /nfs/dbraw/zinc/30/60/55/773306055.db2.gz ZPJKOXQSRMAXMG-ZDUSSCGKSA-N 2 0 287.411 1.790 10 0 CDAERP CCOC(=O)C1=CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000863544344 773309106 /nfs/dbraw/zinc/30/91/06/773309106.db2.gz QZXPYZFTOGUSKX-HABKJSAYSA-N 2 0 264.369 1.511 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2CCCC3)C1 ZINC000715362196 773314383 /nfs/dbraw/zinc/31/43/83/773314383.db2.gz FJOZASOEAPJRRE-IJEWVQPXSA-N 2 0 279.428 1.367 10 0 CDAERP Cc1cc([C@@H]([NH3+])CC(=O)N2CC[NH2+]C[C@H]2C)cc(Cl)n1 ZINC000841845545 773373851 /nfs/dbraw/zinc/37/38/51/773373851.db2.gz CTNUNVYOAXVONM-PWSUYJOCSA-N 2 0 296.802 1.254 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)[C@@H]2CCC[C@@H]21 ZINC000866445211 773440886 /nfs/dbraw/zinc/44/08/86/773440886.db2.gz IJUIUNJBOGLRDE-YBRAEQMSSA-N 2 0 276.424 1.872 10 0 CDAERP O[C@H](C[NH2+][C@H](C1CC1)C1CCOCC1)C[NH+]1CCCC1 ZINC000924758326 773441305 /nfs/dbraw/zinc/44/13/05/773441305.db2.gz URMBGUHFGHHSRK-HZPDHXFCSA-N 2 0 282.428 1.238 10 0 CDAERP CCCCOC(=O)CCN1CCCCC[C@H]([NH3+])C1 ZINC000866671556 773530214 /nfs/dbraw/zinc/53/02/14/773530214.db2.gz WBHIKUWSYIBNEV-ZDUSSCGKSA-N 2 0 256.390 1.923 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cn(C2CC2)cn1 ZINC000865623306 773536412 /nfs/dbraw/zinc/53/64/12/773536412.db2.gz KUIKDSBIFYOHAT-AWEZNQCLSA-N 2 0 293.459 1.580 10 0 CDAERP C[NH+]1CCC(C[NH2+][C@@H](CCO)C2CCCC2)CC1 ZINC000725094467 773690791 /nfs/dbraw/zinc/69/07/91/773690791.db2.gz AAYMJDBONWXFNB-HNNXBMFYSA-N 2 0 254.418 1.859 10 0 CDAERP CC[N@@H+]1CCCN(C(=O)[C@@H](C)CC[NH+](C)C)[C@@H](C)C1 ZINC001629366622 1166134398 /nfs/dbraw/zinc/13/43/98/1166134398.db2.gz ACGLUKKIDTZKSF-KBPBESRZSA-N 2 0 269.433 1.517 10 0 CDAERP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+](C(C)C)C2)C1 ZINC001412622981 1166737742 /nfs/dbraw/zinc/73/77/42/1166737742.db2.gz QZGSPARWJKAQRH-CVEARBPZSA-N 2 0 295.471 1.907 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001566809725 1168037078 /nfs/dbraw/zinc/03/70/78/1168037078.db2.gz VNILIUCZIUYMIL-RBSFLKMASA-N 2 0 281.444 1.755 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001565876778 1168193579 /nfs/dbraw/zinc/19/35/79/1168193579.db2.gz RFJYAUSJWHAPBB-MGPQQGTHSA-N 2 0 269.433 1.611 10 0 CDAERP Cc1cncc(C[N@@H+](C)CCCNC(=O)CC[NH+](C)C)c1 ZINC001566489299 1168305219 /nfs/dbraw/zinc/30/52/19/1168305219.db2.gz XNCXAVDADKQQLN-UHFFFAOYSA-N 2 0 292.427 1.280 10 0 CDAERP CC(C)=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001566761982 1168411410 /nfs/dbraw/zinc/41/14/10/1168411410.db2.gz FRUUNBMNMKURJW-KBPBESRZSA-N 2 0 265.401 1.237 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CC1CC1 ZINC001567021296 1168514694 /nfs/dbraw/zinc/51/46/94/1168514694.db2.gz JVQBFGSFFOQPPV-GXTWGEPZSA-N 2 0 267.417 1.365 10 0 CDAERP CCC[N@H+](C)CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001567288620 1168659200 /nfs/dbraw/zinc/65/92/00/1168659200.db2.gz LUWQDGJAGZHJSL-ZIAGYGMSSA-N 2 0 267.417 1.461 10 0 CDAERP CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001272555419 913432079 /nfs/dbraw/zinc/43/20/79/913432079.db2.gz KGLIFZKDDQRMIZ-UONOGXRCSA-N 2 0 269.433 1.421 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CC=C(C)C)C1 ZINC001266246418 893906718 /nfs/dbraw/zinc/90/67/18/893906718.db2.gz PDGUQYOFLRARMK-OAHLLOKOSA-N 2 0 281.444 1.875 10 0 CDAERP COCCC[N@@H+]1CCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001266468236 894995021 /nfs/dbraw/zinc/99/50/21/894995021.db2.gz MPNQGRHMVDVNRI-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001266482383 895034676 /nfs/dbraw/zinc/03/46/76/895034676.db2.gz ARIGHMXYNAAQIB-KBPBESRZSA-N 2 0 267.417 1.317 10 0 CDAERP CC[NH+]1CCC(C[NH2+]CCCCS(C)(=O)=O)CC1 ZINC000707127044 896023281 /nfs/dbraw/zinc/02/32/81/896023281.db2.gz KIIJDBMJYBMHNC-UHFFFAOYSA-N 2 0 276.446 1.133 10 0 CDAERP CC[C@@H](C(=O)N(C)CC[NH2+]Cc1cncc(F)c1)[NH+](C)C ZINC001266836874 896157961 /nfs/dbraw/zinc/15/79/61/896157961.db2.gz ZHLJHDHWYRKQKC-AWEZNQCLSA-N 2 0 296.390 1.109 10 0 CDAERP CC[C@@H](C(=O)N(C)CC[NH2+]CC1CC(F)(F)C1)[NH+](C)C ZINC001266988823 896505423 /nfs/dbraw/zinc/50/54/23/896505423.db2.gz OXJLYPJYYCQGLS-LBPRGKRZSA-N 2 0 291.386 1.420 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001480923169 897077435 /nfs/dbraw/zinc/07/74/35/897077435.db2.gz NCRFKOWJRNKLQX-CABCVRRESA-N 2 0 281.444 1.851 10 0 CDAERP CCCC[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001267392043 897851704 /nfs/dbraw/zinc/85/17/04/897851704.db2.gz ZURYAVUKHZCWHZ-ZDUSSCGKSA-N 2 0 255.406 1.319 10 0 CDAERP C[N@H+](CCNC(=O)C[NH+]1CCCC1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001480946835 898069368 /nfs/dbraw/zinc/06/93/68/898069368.db2.gz BIRWZOFAMRJARM-OAGGEKHMSA-N 2 0 293.455 1.566 10 0 CDAERP CC(C)[C@H](C(=O)N(C)CC[NH2+]CC1CC1)[NH+]1CCCC1 ZINC001267473424 898094368 /nfs/dbraw/zinc/09/43/68/898094368.db2.gz FZBVNTZTJHHJIM-OAHLLOKOSA-N 2 0 281.444 1.565 10 0 CDAERP Cc1ncsc1C[NH2+]CCN(C)C(=O)C[N@@H+](C)C(C)C ZINC001267474691 898100622 /nfs/dbraw/zinc/10/06/22/898100622.db2.gz SHVMXANPDJURMO-UHFFFAOYSA-N 2 0 298.456 1.340 10 0 CDAERP CCC[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CC1CC1 ZINC001481136819 898964577 /nfs/dbraw/zinc/96/45/77/898964577.db2.gz QPUFJPQGWLICRN-MRXNPFEDSA-N 2 0 293.455 1.566 10 0 CDAERP COc1ccccc1OCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000695236581 899164183 /nfs/dbraw/zinc/16/41/83/899164183.db2.gz LMYKSBAZGOQHKU-LSDHHAIUSA-N 2 0 276.380 1.934 10 0 CDAERP CC/C=C\CCN1CC(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267667444 899210508 /nfs/dbraw/zinc/21/05/08/899210508.db2.gz XQOJKNYZPXXIQE-DANTVBBOSA-N 2 0 267.417 1.483 10 0 CDAERP CCCC[NH+]1CC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001267695928 899307618 /nfs/dbraw/zinc/30/76/18/899307618.db2.gz MKDJIKIREWBPIQ-ZDUSSCGKSA-N 2 0 267.417 1.176 10 0 CDAERP CC(C)OCC[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001481229076 899509999 /nfs/dbraw/zinc/50/99/99/899509999.db2.gz MZGNMLHQNMUHQE-OAHLLOKOSA-N 2 0 299.459 1.332 10 0 CDAERP CN(CC[NH2+]CCC(C)(C)C)C(=O)C[N@H+](C)C1CCC1 ZINC001481240827 899585088 /nfs/dbraw/zinc/58/50/88/899585088.db2.gz ZFWWPOHSXHDDBY-UHFFFAOYSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@H](C(=O)N(C)CC[NH2+]Cc1ccns1)[NH+](C)C ZINC001481246852 899630892 /nfs/dbraw/zinc/63/08/92/899630892.db2.gz ZVIBKIIPMCHICW-GFCCVEGCSA-N 2 0 284.429 1.031 10 0 CDAERP CC[C@H](C(=O)N(CC)[C@H]1CC[N@H+](CCCOC)C1)[NH+](C)C ZINC001267791049 899736965 /nfs/dbraw/zinc/73/69/65/899736965.db2.gz VOLVOKLDQCNJHK-LSDHHAIUSA-N 2 0 299.459 1.286 10 0 CDAERP CCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@H+](CCCOC)C1 ZINC001267793193 899742593 /nfs/dbraw/zinc/74/25/93/899742593.db2.gz FTDAYFIIHIYZPV-OAHLLOKOSA-N 2 0 299.459 1.286 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCCF ZINC001267955499 900061785 /nfs/dbraw/zinc/06/17/85/900061785.db2.gz WVIMHIGFXLQNRB-HUUCEWRRSA-N 2 0 299.434 1.799 10 0 CDAERP CC(C)[NH2+]C[C@@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001268008552 900272740 /nfs/dbraw/zinc/27/27/40/900272740.db2.gz AIHUVFJGCLDLTM-OLZOCXBDSA-N 2 0 255.406 1.079 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001481464219 900795790 /nfs/dbraw/zinc/79/57/90/900795790.db2.gz JNHGBGWHGKHAHO-HZPDHXFCSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268073027 901103354 /nfs/dbraw/zinc/10/33/54/901103354.db2.gz XYGGZGRXVORMGD-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CCCC[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001268100486 901285110 /nfs/dbraw/zinc/28/51/10/901285110.db2.gz NNLWHPWQNOGJHZ-CYBMUJFWSA-N 2 0 255.406 1.319 10 0 CDAERP C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1[NH2+]CCCF ZINC001268136532 901378009 /nfs/dbraw/zinc/37/80/09/901378009.db2.gz YLAXDWSKJRJXSO-KBPBESRZSA-N 2 0 299.434 1.657 10 0 CDAERP COCC(COC)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000692913233 901463031 /nfs/dbraw/zinc/46/30/31/901463031.db2.gz HGNPXSRFQHZXBE-AWEZNQCLSA-N 2 0 270.417 1.359 10 0 CDAERP CCC/C=C\CC[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001481638087 901573713 /nfs/dbraw/zinc/57/37/13/901573713.db2.gz DJLGGRFFVRZXMQ-OGZRUICASA-N 2 0 293.455 1.875 10 0 CDAERP CC[C@H](C)C[NH+]1CC(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001481638432 901573830 /nfs/dbraw/zinc/57/38/30/901573830.db2.gz LUJHEFLQLDJFMB-AWEZNQCLSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)CCC[NH+]1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001481658627 901742434 /nfs/dbraw/zinc/74/24/34/901742434.db2.gz OPYLQVSPUNWOQW-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CN(C)CCO2)C1 ZINC001481686663 901793366 /nfs/dbraw/zinc/79/33/66/901793366.db2.gz RWGHITIXYAJTFZ-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CC[NH+](CCCCCF)C2)C1 ZINC001481708220 901870440 /nfs/dbraw/zinc/87/04/40/901870440.db2.gz PGNDQUVLKUEKAF-HUUCEWRRSA-N 2 0 299.434 1.659 10 0 CDAERP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCCF ZINC001481824326 902174634 /nfs/dbraw/zinc/17/46/34/902174634.db2.gz SQNUIOXMMKURHB-QWHCGFSZSA-N 2 0 273.396 1.315 10 0 CDAERP CC[C@@H](CNC(=O)[C@H](C)C[NH+]1CCOCC1)[NH2+]CC(C)C ZINC001481879621 902264856 /nfs/dbraw/zinc/26/48/56/902264856.db2.gz VXVBSHWPEFEUMD-CABCVRRESA-N 2 0 299.459 1.095 10 0 CDAERP C[N@H+](CC(=O)NC1(C[NH2+]CCF)CCCC1)C1CCC1 ZINC001481898437 902286996 /nfs/dbraw/zinc/28/69/96/902286996.db2.gz WOASDEHAAVWJQL-UHFFFAOYSA-N 2 0 285.407 1.459 10 0 CDAERP CC(C)CC[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001268576299 902632330 /nfs/dbraw/zinc/63/23/30/902632330.db2.gz UPOXZGUDHNMRER-ZRUQZJFASA-N 2 0 267.417 1.389 10 0 CDAERP C[NH+](C)CCCCC(=O)NCC1C[NH+](CC2CCC2)C1 ZINC001268895924 903220369 /nfs/dbraw/zinc/22/03/69/903220369.db2.gz FWIQSWBJVPYSJD-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001269078773 903401580 /nfs/dbraw/zinc/40/15/80/903401580.db2.gz RMCBFDJRRXVVLX-XHPSBEMXSA-N 2 0 281.444 1.875 10 0 CDAERP CC(C)CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001269535771 903903606 /nfs/dbraw/zinc/90/36/06/903903606.db2.gz ZKVXAEDMZFDJHS-CYBMUJFWSA-N 2 0 267.417 1.223 10 0 CDAERP C[N@@H+]1CCN(C(=O)[C@@H]2CCCC[C@@H]2[NH3+])CCC1(C)C ZINC000712678864 904547777 /nfs/dbraw/zinc/54/77/77/904547777.db2.gz PNDOYASXJREPPI-OLZOCXBDSA-N 2 0 267.417 1.447 10 0 CDAERP CC(C)=CC[NH+]1CC[C@](C)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001270650578 904883407 /nfs/dbraw/zinc/88/34/07/904883407.db2.gz WMVAFUSCXSKCMR-RDJZCZTQSA-N 2 0 293.455 1.875 10 0 CDAERP CCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001501083141 905170044 /nfs/dbraw/zinc/17/00/44/905170044.db2.gz DWDCEIWZVVYBIB-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CCC(CC)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482364031 905202608 /nfs/dbraw/zinc/20/26/08/905202608.db2.gz AIMDTUSASGNZJV-UKRRQHHQSA-N 2 0 283.460 1.811 10 0 CDAERP CCCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001270967557 905506650 /nfs/dbraw/zinc/50/66/50/905506650.db2.gz JKFQSELUDPOCFB-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCC(C)(C)C ZINC001423166463 906391548 /nfs/dbraw/zinc/39/15/48/906391548.db2.gz MHUMBZZZDZLCQO-ZIAGYGMSSA-N 2 0 283.460 1.811 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001567899556 1169050064 /nfs/dbraw/zinc/05/00/64/1169050064.db2.gz ZWZFQMQHSCSWIJ-KSLSASGISA-N 2 0 293.455 1.875 10 0 CDAERP CCN(CC[NH2+]CC1CC1)C(=O)CC[NH+]1CCCCC1 ZINC001482969358 908550900 /nfs/dbraw/zinc/55/09/00/908550900.db2.gz DVCSWLYXKJPPCB-UHFFFAOYSA-N 2 0 281.444 1.711 10 0 CDAERP CC1CC(C[NH2+]C/C=C\CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001483007933 908684211 /nfs/dbraw/zinc/68/42/11/908684211.db2.gz GRNVOECEBGHKJG-QLYWTITOSA-N 2 0 293.455 1.635 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC/C=C/C[NH2+]CC2CC2)C1 ZINC001483059741 909196672 /nfs/dbraw/zinc/19/66/72/909196672.db2.gz XIKJSPWLYHMAPL-YWVDXFKGSA-N 2 0 265.401 1.000 10 0 CDAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCC1CC1 ZINC001483127883 909678173 /nfs/dbraw/zinc/67/81/73/909678173.db2.gz ZGGVUFKAVJRFNW-HIFRSBDPSA-N 2 0 281.444 1.754 10 0 CDAERP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1cncc(F)c1 ZINC001409416556 910380136 /nfs/dbraw/zinc/38/01/36/910380136.db2.gz QWIKOBOYSWLXDB-RYUDHWBXSA-N 2 0 296.390 1.155 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccccc1F)NC(=O)C[NH+]1CCCC1 ZINC001483293740 910806397 /nfs/dbraw/zinc/80/63/97/910806397.db2.gz KURLOEZUEVBRLJ-ZDUSSCGKSA-N 2 0 293.386 1.516 10 0 CDAERP C[NH+](C)CC1(C(=O)N2CCC[C@@H](CC[NH2+]CCF)C2)CC1 ZINC001568066422 1169130784 /nfs/dbraw/zinc/13/07/84/1169130784.db2.gz MZICRDRKFNWBCJ-AWEZNQCLSA-N 2 0 299.434 1.516 10 0 CDAERP CCCCC[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001483600637 911306664 /nfs/dbraw/zinc/30/66/64/911306664.db2.gz IZQHAPXGSLJXRF-OAHLLOKOSA-N 2 0 293.455 1.757 10 0 CDAERP CCN(CC[NH2+]Cc1cncc(C)c1)C(=O)CC[NH+](C)C ZINC001273588346 921657289 /nfs/dbraw/zinc/65/72/89/921657289.db2.gz HMPXZUZPOBJQEL-UHFFFAOYSA-N 2 0 292.427 1.280 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@]2(C1)CCC[N@H+](CCCF)C2 ZINC001483833700 915104052 /nfs/dbraw/zinc/10/40/52/915104052.db2.gz NPTDODBHYFUQTE-MRXNPFEDSA-N 2 0 299.434 1.612 10 0 CDAERP CCCC[N@@H+]1CC[C@](C)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001484067547 915372227 /nfs/dbraw/zinc/37/22/27/915372227.db2.gz KGMHAUWOIUMFDH-HOCLYGCPSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001484094096 915429192 /nfs/dbraw/zinc/42/91/92/915429192.db2.gz NBCCYURCOPZWDR-IIAWOOMASA-N 2 0 281.444 1.565 10 0 CDAERP CCC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH]cn2)C[C@@H]1C ZINC001484369225 915692139 /nfs/dbraw/zinc/69/21/39/915692139.db2.gz MDHPIBRBRBARTJ-STQMWFEESA-N 2 0 278.400 1.436 10 0 CDAERP CC[C@@H](F)C[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001493806468 915812075 /nfs/dbraw/zinc/81/20/75/915812075.db2.gz JIMBHWJNPNREJO-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H](CC[NH2+]CCCF)C2)C1 ZINC001484547616 915875202 /nfs/dbraw/zinc/87/52/02/915875202.db2.gz SEKKKKIEUVCSKG-CABCVRRESA-N 2 0 299.434 1.516 10 0 CDAERP CCOCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001484728227 916089380 /nfs/dbraw/zinc/08/93/80/916089380.db2.gz LASCDULYPSIFDV-OAHLLOKOSA-N 2 0 297.443 1.089 10 0 CDAERP CCC1([NH2+]CC2CC2)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001484819695 916192307 /nfs/dbraw/zinc/19/23/07/916192307.db2.gz UHETUUHOVUMZTM-HNNXBMFYSA-N 2 0 293.455 1.709 10 0 CDAERP CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+](C)C)C2 ZINC001484831025 916194133 /nfs/dbraw/zinc/19/41/33/916194133.db2.gz NMHTUAIEZKXUSC-OAHLLOKOSA-N 2 0 267.417 1.273 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001485002230 916368548 /nfs/dbraw/zinc/36/85/48/916368548.db2.gz GZFMIMPDPMBXRT-UONOGXRCSA-N 2 0 267.417 1.389 10 0 CDAERP C[C@H](O)CCC[N@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001485068895 916453909 /nfs/dbraw/zinc/45/39/09/916453909.db2.gz JHUVISHUMRSSPA-GJZGRUSLSA-N 2 0 299.459 1.022 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)[N@H+](C)CC1CC1)[NH+](C)C ZINC001485318249 916804169 /nfs/dbraw/zinc/80/41/69/916804169.db2.gz GKTCIDNIDZAMKM-WCQYABFASA-N 2 0 255.406 1.173 10 0 CDAERP CC(C)OCCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001485339842 916851395 /nfs/dbraw/zinc/85/13/95/916851395.db2.gz KTMYEGZZOYHEGI-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)CCF)C1 ZINC001366868971 918055976 /nfs/dbraw/zinc/05/59/76/918055976.db2.gz IHJFAECFCYGZEF-ZDUSSCGKSA-N 2 0 273.396 1.076 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)[C@@H]2CN(C)CCO2)CCCC1 ZINC001568233122 1169192881 /nfs/dbraw/zinc/19/28/81/1169192881.db2.gz SCNWGLITMFTVGK-AWEZNQCLSA-N 2 0 297.443 1.136 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCC(C)C)[C@@H]1C ZINC001486092862 920690815 /nfs/dbraw/zinc/69/08/15/920690815.db2.gz RSSDQCXHSMGSDW-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CC/C=C/CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2ncc[nH]2)C1 ZINC001486129155 920733566 /nfs/dbraw/zinc/73/35/66/920733566.db2.gz MQRSJZBBHWUDRW-OOPLNXAUSA-N 2 0 290.411 1.888 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH2+]CC1CC1)C(C)(C)C ZINC001486423688 920994496 /nfs/dbraw/zinc/99/44/96/920994496.db2.gz IUNJRMUBRXMXMX-AWEZNQCLSA-N 2 0 283.460 1.857 10 0 CDAERP CCOCC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001486424057 920995767 /nfs/dbraw/zinc/99/57/67/920995767.db2.gz QECRGYGCVMMRBG-KBPBESRZSA-N 2 0 299.459 1.095 10 0 CDAERP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC([NH2+]CCCF)C1 ZINC001486458296 921035108 /nfs/dbraw/zinc/03/51/08/921035108.db2.gz XICXCGXPIYFAEO-WXRRBKDZSA-N 2 0 271.380 1.019 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@H]1C[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001491047489 936846437 /nfs/dbraw/zinc/84/64/37/936846437.db2.gz JIPIHCORZIJXAE-FVSXHXCTSA-N 2 0 273.808 1.318 10 0 CDAERP Cc1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)CCC[NH+](C)C)C2)o1 ZINC001491047648 936846523 /nfs/dbraw/zinc/84/65/23/936846523.db2.gz KIYXNNPPVRPWMD-BETUJISGSA-N 2 0 294.399 1.062 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2C[NH2+]CCCF)C1 ZINC001491263447 936886752 /nfs/dbraw/zinc/88/67/52/936886752.db2.gz HZKOOTBSGHXBEB-HUUCEWRRSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)C(C)C ZINC001494684813 924828062 /nfs/dbraw/zinc/82/80/62/924828062.db2.gz AANPFNNWMQBGOG-GJZGRUSLSA-N 2 0 281.444 1.658 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C1CC[NH+](CCOC)CC1)[NH+](C)C ZINC001411241420 927294478 /nfs/dbraw/zinc/29/44/78/927294478.db2.gz YGNFRRNOMCCOFO-UKRRQHHQSA-N 2 0 299.459 1.190 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]([NH2+]Cc1ccccc1)C1CC1 ZINC001490698892 927307685 /nfs/dbraw/zinc/30/76/85/927307685.db2.gz AKHIXDYKZPJEGS-MRXNPFEDSA-N 2 0 289.423 1.623 10 0 CDAERP CC[C@@H](C)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001274763271 931571457 /nfs/dbraw/zinc/57/14/57/931571457.db2.gz JSXFMWHOCCOFAP-HZSPNIEDSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@@H](C[NH2+]CCC(F)(F)F)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001275405258 931775336 /nfs/dbraw/zinc/77/53/36/931775336.db2.gz CSAAYRXKDNWLQM-QWRGUYRKSA-N 2 0 295.349 1.375 10 0 CDAERP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001412525917 932467474 /nfs/dbraw/zinc/46/74/74/932467474.db2.gz BFKDARQFPOYDIQ-CVEARBPZSA-N 2 0 295.471 1.907 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H]3[C@@H]2CCC[NH+]3C)C1 ZINC001412559405 932499774 /nfs/dbraw/zinc/49/97/74/932499774.db2.gz NRUGCNHCOWKDMP-XHSDSOJGSA-N 2 0 293.455 1.802 10 0 CDAERP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC001118256401 937609091 /nfs/dbraw/zinc/60/90/91/937609091.db2.gz SMQMWNJIIWSGGE-JHJVBQTASA-N 2 0 255.406 1.336 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC001412712680 932657346 /nfs/dbraw/zinc/65/73/46/932657346.db2.gz LGSKPOJNWHELOX-CABCVRRESA-N 2 0 295.471 1.905 10 0 CDAERP CCCC[NH2+]CCCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001276258148 932694801 /nfs/dbraw/zinc/69/48/01/932694801.db2.gz GUNZKZUXHGDFQO-UHFFFAOYSA-N 2 0 283.460 1.957 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+]C2CC3(C2)CO[C@H](C)C3)CC1 ZINC000924656912 932809288 /nfs/dbraw/zinc/80/92/88/932809288.db2.gz DMKIZHJJCMSURD-KLAILNCOSA-N 2 0 295.471 1.561 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cccc(-n2ccnn2)c1 ZINC000925783677 932938673 /nfs/dbraw/zinc/93/86/73/932938673.db2.gz GDGCLKOVTVPFNT-IPYPFGDCSA-N 2 0 285.395 1.773 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1N[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925779497 932939672 /nfs/dbraw/zinc/93/96/72/932939672.db2.gz JWOBUETWZCBQJE-UQOMUDLDSA-N 2 0 251.418 1.352 10 0 CDAERP CSCC[C@H]([NH3+])C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000691934833 933443074 /nfs/dbraw/zinc/44/30/74/933443074.db2.gz AXINFTQYJVDIJR-ZDUSSCGKSA-N 2 0 299.484 1.401 10 0 CDAERP C[NH+](C)C1(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CCCC1 ZINC001412930205 935096502 /nfs/dbraw/zinc/09/65/02/935096502.db2.gz MHVNYTBFEXFOBV-HNNXBMFYSA-N 2 0 293.455 1.994 10 0 CDAERP C[C@@H](CN1CCOCC1)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC001412945940 935111263 /nfs/dbraw/zinc/11/12/63/935111263.db2.gz ZJVGVVCBEKUYSB-DLBZAZTESA-N 2 0 295.471 1.372 10 0 CDAERP C[NH+](C)CC1(O)CC[NH+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)CC1 ZINC000720590120 935197066 /nfs/dbraw/zinc/19/70/66/935197066.db2.gz APZFFLRLYOEQQA-ILXRZTDVSA-N 2 0 282.428 1.333 10 0 CDAERP C[C@@H]([NH2+]C1CCN(C2CC2)CC1)C1CC[NH2+]CC1 ZINC000400351945 940847692 /nfs/dbraw/zinc/84/76/92/940847692.db2.gz NBFXOGPUHLPEFK-GFCCVEGCSA-N 2 0 251.418 1.591 10 0 CDAERP CCO[C@@H]1C[N@H+](C[C@H](O)CC2CCCC2)C[C@H]1C[NH3+] ZINC000405551384 940990786 /nfs/dbraw/zinc/99/07/86/940990786.db2.gz ZBGJNRFILZPAFG-RBSFLKMASA-N 2 0 270.417 1.223 10 0 CDAERP CC(C)[N@@H+]1CCCN(C(=O)C2([NH+](C)C)CCCC2)CC1 ZINC001362021209 970784156 /nfs/dbraw/zinc/78/41/56/970784156.db2.gz UIKHWVQMWBACJE-UHFFFAOYSA-N 2 0 281.444 1.804 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@H](C)O)[C@H](C)C1 ZINC001473408452 970789776 /nfs/dbraw/zinc/78/97/76/970789776.db2.gz IOEXKGQVEIMBTO-KBXIAJHMSA-N 2 0 272.433 1.482 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@H]2C[NH+](C)C)C1 ZINC001362033058 970797256 /nfs/dbraw/zinc/79/72/56/970797256.db2.gz SLHAIJPMSPIOAR-CABCVRRESA-N 2 0 281.444 1.659 10 0 CDAERP CCCCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001276808764 941392498 /nfs/dbraw/zinc/39/24/98/941392498.db2.gz BRSBTSPWXNPSFO-UONOGXRCSA-N 2 0 267.417 1.461 10 0 CDAERP COCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001276851339 941642472 /nfs/dbraw/zinc/64/24/72/941642472.db2.gz AUEMTPMHXMBHCW-HUUCEWRRSA-N 2 0 297.443 1.086 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCCOC ZINC001276980818 941771032 /nfs/dbraw/zinc/77/10/32/941771032.db2.gz WTZPCRVLOREMOQ-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](C)CC[NH+](C)C ZINC001362080088 970857787 /nfs/dbraw/zinc/85/77/87/970857787.db2.gz PIDUPJHHSPOIHD-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CCN(CC[NH2+]C/C=C/Cl)C(=O)C1(C[NH+](C)C)CC1 ZINC001568770285 1169470076 /nfs/dbraw/zinc/47/00/76/1169470076.db2.gz YSEUVSITXUBXKT-VMPITWQZSA-N 2 0 287.835 1.519 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)NCC2CC[NH+](C)CC2)C1 ZINC001362112670 970901084 /nfs/dbraw/zinc/90/10/84/970901084.db2.gz VTBIPZZLMBXUQP-OAHLLOKOSA-N 2 0 281.444 1.565 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCCF ZINC001281852955 942625799 /nfs/dbraw/zinc/62/57/99/942625799.db2.gz HNJNPPLWGHGDGL-KBPBESRZSA-N 2 0 285.407 1.411 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)CC=C(C)C ZINC001282487782 942722042 /nfs/dbraw/zinc/72/20/42/942722042.db2.gz YNMAKCNZPQTTEP-CQSZACIVSA-N 2 0 269.433 1.731 10 0 CDAERP CCCC[NH2+][C@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001283664394 942962400 /nfs/dbraw/zinc/96/24/00/942962400.db2.gz XZPRIGCTQMCXHS-ZIAGYGMSSA-N 2 0 271.449 1.809 10 0 CDAERP CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001277825607 943717702 /nfs/dbraw/zinc/71/77/02/943717702.db2.gz FCQHFXHVWUPLAG-YNEHKIRRSA-N 2 0 255.406 1.173 10 0 CDAERP CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001263820922 943988670 /nfs/dbraw/zinc/98/86/70/943988670.db2.gz JRJAOKVNBVAOAH-ZDUSSCGKSA-N 2 0 253.390 1.025 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC)[C@@H]1CC)[NH+](C)C ZINC001264067667 944071761 /nfs/dbraw/zinc/07/17/61/944071761.db2.gz MJDCQOIJQFAPPO-YNEHKIRRSA-N 2 0 255.406 1.316 10 0 CDAERP C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1ccsc1 ZINC001265814651 944520363 /nfs/dbraw/zinc/52/03/63/944520363.db2.gz CAYIXZUEWPKEGJ-CQSZACIVSA-N 2 0 295.452 1.780 10 0 CDAERP CC(C)=CC[NH+]1C[C@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]2C1 ZINC001279416206 944801908 /nfs/dbraw/zinc/80/19/08/944801908.db2.gz LUIPSKQSOVYINT-IYBDPMFKSA-N 2 0 293.455 1.683 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)CC[N@@H+]2CC[C@H](F)C2)C1 ZINC001362341588 971171437 /nfs/dbraw/zinc/17/14/37/971171437.db2.gz XMNKVPBGTVODOL-BFHYXJOUSA-N 2 0 285.407 1.409 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N(C)[C@@H]2CCC[NH+](C)C2)C1 ZINC001362390470 971220968 /nfs/dbraw/zinc/22/09/68/971220968.db2.gz YQCWMTNYCCKKIF-LSDHHAIUSA-N 2 0 281.444 1.659 10 0 CDAERP CC[NH+](CC)CC[C@H](CO)NC(=O)C1([NH+](C)C)CCCC1 ZINC001362399717 971229177 /nfs/dbraw/zinc/22/91/77/971229177.db2.gz RVKIDCPARJZVID-CQSZACIVSA-N 2 0 299.459 1.070 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCCCCF)C1 ZINC001479284010 971288201 /nfs/dbraw/zinc/28/82/01/971288201.db2.gz BLWDPGULEHMALR-QLFBSQMISA-N 2 0 299.434 1.705 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2CCC[N@H+](CCF)[C@H]2C1(C)C ZINC001479613642 971346706 /nfs/dbraw/zinc/34/67/06/971346706.db2.gz NPKSUYGUQRZMPZ-BPLDGKMQSA-N 2 0 299.434 1.513 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001362517600 971363170 /nfs/dbraw/zinc/36/31/70/971363170.db2.gz BHIOLASEQAUOHS-QLFBSQMISA-N 2 0 283.460 1.953 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC001362648311 971492105 /nfs/dbraw/zinc/49/21/05/971492105.db2.gz WFRHIKBYBNFPHY-KFWWJZLASA-N 2 0 281.444 1.659 10 0 CDAERP CC(C)CNC(=O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC001257445016 948600610 /nfs/dbraw/zinc/60/06/10/948600610.db2.gz SMNGUXUZDUIEJW-MGPQQGTHSA-N 2 0 267.417 1.221 10 0 CDAERP C[C@H]([NH2+]CC1CC1)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001279038047 948631005 /nfs/dbraw/zinc/63/10/05/948631005.db2.gz DKBCEDBJMYGGQZ-GOEBONIOSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H]1CN(C(=O)CC[NH+]2CC[C@@H](F)C2)CC[N@@H+](C2CC2)C1 ZINC001362658370 971501759 /nfs/dbraw/zinc/50/17/59/971501759.db2.gz UHLSWEYVHHZSGP-UONOGXRCSA-N 2 0 297.418 1.363 10 0 CDAERP CCCC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001480021952 971542141 /nfs/dbraw/zinc/54/21/41/971542141.db2.gz TYUDYZOVZNAOMD-YUELXQCFSA-N 2 0 281.444 1.611 10 0 CDAERP Cc1ncccc1C[NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001480156957 971607142 /nfs/dbraw/zinc/60/71/42/971607142.db2.gz QSINDPYCKSXSOJ-SHTZXODSSA-N 2 0 290.411 1.079 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCOCC)C1 ZINC001480207420 971628655 /nfs/dbraw/zinc/62/86/55/971628655.db2.gz KSDRLCKCAYZJDB-ZNMIVQPWSA-N 2 0 297.443 1.134 10 0 CDAERP CC[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]CCCF)C1)[NH+](C)C ZINC001278572906 950216289 /nfs/dbraw/zinc/21/62/89/950216289.db2.gz RDACZYYOACJDTD-ZFWWWQNUSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@@H](C[NH2+]CCc1ccccc1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001569096849 1169642792 /nfs/dbraw/zinc/64/27/92/1169642792.db2.gz AHMKJCYROVWYHB-HOCLYGCPSA-N 2 0 289.423 1.275 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001480475633 971746701 /nfs/dbraw/zinc/74/67/01/971746701.db2.gz SUXVUWIVENBQCC-CYBMUJFWSA-N 2 0 267.417 1.531 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CCC2CC2)C1 ZINC001480650873 971825084 /nfs/dbraw/zinc/82/50/84/971825084.db2.gz GNWLRVUSIFTWQQ-JKSUJKDBSA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)(C)CC[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001480680477 971836622 /nfs/dbraw/zinc/83/66/22/971836622.db2.gz UBFDCIUWUMVEGV-OAHLLOKOSA-N 2 0 295.471 1.957 10 0 CDAERP COCCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001493123217 971954938 /nfs/dbraw/zinc/95/49/38/971954938.db2.gz JCWDZNGTHUNUDW-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CCCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001325598401 953979695 /nfs/dbraw/zinc/97/96/95/953979695.db2.gz KMPOJCFTJNPNSR-CABCVRRESA-N 2 0 283.460 1.811 10 0 CDAERP CC[C@@H](F)C[NH2+]CC[C@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001326446532 954385123 /nfs/dbraw/zinc/38/51/23/954385123.db2.gz OSSLVBKTWSRVSS-UONOGXRCSA-N 2 0 296.390 1.459 10 0 CDAERP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(=O)[nH]n1 ZINC001326795485 954555158 /nfs/dbraw/zinc/55/51/58/954555158.db2.gz FRHZIRXCPYKCEW-MXWKQRLJSA-N 2 0 250.346 1.173 10 0 CDAERP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[C@H]1[NH3+])C2 ZINC001326908457 954614308 /nfs/dbraw/zinc/61/43/08/954614308.db2.gz XEDJHNMSDCGULU-JLNYLFASSA-N 2 0 265.401 1.091 10 0 CDAERP [NH3+][C@H]1CCCC[C@H]1C(=O)NCCC1CC[NH2+]CC1 ZINC001327449448 954882927 /nfs/dbraw/zinc/88/29/27/954882927.db2.gz NQRMUDGJAYULRC-OLZOCXBDSA-N 2 0 253.390 1.010 10 0 CDAERP OC1(C[NH+]2CCCCC2)CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC001363310029 972074822 /nfs/dbraw/zinc/07/48/22/972074822.db2.gz FWUWUEVVYVKMBI-INIZCTEOSA-N 2 0 296.455 1.868 10 0 CDAERP CCC[NH2+][C@@H](C)CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001328354201 955273043 /nfs/dbraw/zinc/27/30/43/955273043.db2.gz PSBHKOBAKIEWMT-UONOGXRCSA-N 2 0 269.433 1.755 10 0 CDAERP CC[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001493614430 972089029 /nfs/dbraw/zinc/08/90/29/972089029.db2.gz ZXTLZTDLLMKJBT-ZDUSSCGKSA-N 2 0 255.406 1.175 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1 ZINC001421492974 955372951 /nfs/dbraw/zinc/37/29/51/955372951.db2.gz QTTDFGHDELYGHQ-HZPDHXFCSA-N 2 0 289.423 1.623 10 0 CDAERP Cc1cncc(C[NH2+][C@H](C)CNC(=O)C[NH+]2CCCC2)c1 ZINC001491673804 955382165 /nfs/dbraw/zinc/38/21/65/955382165.db2.gz KILLUHBEKHHSIB-CQSZACIVSA-N 2 0 290.411 1.080 10 0 CDAERP O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@H](C[NH2+]CCCF)C1 ZINC001491806319 955471353 /nfs/dbraw/zinc/47/13/53/955471353.db2.gz YNNHFFNUCSJXNK-HIFRSBDPSA-N 2 0 297.418 1.126 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC(C[NH2+]CCCF)C1 ZINC001328861282 955519920 /nfs/dbraw/zinc/51/99/20/955519920.db2.gz OAVOCLDWLMLKMJ-YMAMQOFZSA-N 2 0 299.434 1.705 10 0 CDAERP CC(C)[NH+](C)CC(=O)N(C)CC[N@@H+](C)CC[C@@H](C)F ZINC001422235924 955875913 /nfs/dbraw/zinc/87/59/13/955875913.db2.gz WGUCVOBJJOLLMJ-CYBMUJFWSA-N 2 0 275.412 1.465 10 0 CDAERP C[N@H+](CCC1CC1)C[C@@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001422240341 955882903 /nfs/dbraw/zinc/88/29/03/955882903.db2.gz DNPWWVNNQDZSJA-HOTGVXAUSA-N 2 0 293.455 1.661 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@H](C)[N@H+](C)C(C)C ZINC001422530178 956121521 /nfs/dbraw/zinc/12/15/21/956121521.db2.gz ZTZZBPBIAPGZFP-QWHCGFSZSA-N 2 0 275.412 1.511 10 0 CDAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[N@H+](C)CC1CCC1 ZINC001422588544 956176701 /nfs/dbraw/zinc/17/67/01/956176701.db2.gz RCKIDGWILNLBJD-CYBMUJFWSA-N 2 0 279.428 1.319 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21 ZINC001422834821 956396034 /nfs/dbraw/zinc/39/60/34/956396034.db2.gz XEXPDOXZTVQLFT-QKDCVEJESA-N 2 0 295.471 1.668 10 0 CDAERP Cc1ccncc1C[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001422891639 956430670 /nfs/dbraw/zinc/43/06/70/956430670.db2.gz YFQPABMUZIATNB-CQSZACIVSA-N 2 0 292.427 1.278 10 0 CDAERP C[NH2+]C[C@H](C)CNC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC001330585677 956498344 /nfs/dbraw/zinc/49/83/44/956498344.db2.gz ZKMGFGFRVGNXKK-FZMZJTMJSA-N 2 0 261.369 1.193 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001423131682 956612768 /nfs/dbraw/zinc/61/27/68/956612768.db2.gz PELPVJNKIHRVPH-CABCVRRESA-N 2 0 283.460 1.811 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CC1CC1 ZINC001366281615 956709543 /nfs/dbraw/zinc/70/95/43/956709543.db2.gz BYJQQHGKXAIQOY-BBRMVZONSA-N 2 0 293.455 1.898 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]C/C=C\Cl)CC[N@@H+]1C ZINC001366288778 956714392 /nfs/dbraw/zinc/71/43/92/956714392.db2.gz LTSGLARCAMVOEO-CGRPGPNWSA-N 2 0 287.835 1.564 10 0 CDAERP CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001423317591 956720757 /nfs/dbraw/zinc/72/07/57/956720757.db2.gz CHVCYWYPRDEPES-CABCVRRESA-N 2 0 281.444 1.661 10 0 CDAERP CC(C)CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001330977406 956738486 /nfs/dbraw/zinc/73/84/86/956738486.db2.gz RETVGXQMGPXZAY-HUUCEWRRSA-N 2 0 283.460 1.859 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CC2CCC2)C1 ZINC001494324687 972209340 /nfs/dbraw/zinc/20/93/40/972209340.db2.gz WFLXJQKHPNTTPX-AWEZNQCLSA-N 2 0 267.417 1.319 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)C1C[NH+](CCCC(C)C)C1 ZINC001423438147 956782714 /nfs/dbraw/zinc/78/27/14/956782714.db2.gz QOWAUMVCAXHKHX-UHFFFAOYSA-N 2 0 283.460 1.907 10 0 CDAERP CO[C@H](C)C[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001366438207 956827463 /nfs/dbraw/zinc/82/74/63/956827463.db2.gz XLNMRHQMOGSUTQ-HUUCEWRRSA-N 2 0 297.443 1.040 10 0 CDAERP CC[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@H]1C ZINC001316788127 957017027 /nfs/dbraw/zinc/01/70/27/957017027.db2.gz UPGNIBNJTJHLIY-RDBSUJKOSA-N 2 0 267.417 1.460 10 0 CDAERP CCCC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001424027272 957086622 /nfs/dbraw/zinc/08/66/22/957086622.db2.gz TYFSRZNFLWOZQY-GDBMZVCRSA-N 2 0 299.459 1.070 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1CCC(C)C ZINC001366664160 957094512 /nfs/dbraw/zinc/09/45/12/957094512.db2.gz FORWAEKJWMVFJQ-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@H](F)C[N@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001424332302 957206802 /nfs/dbraw/zinc/20/68/02/957206802.db2.gz RKTRVRHFTDGUDM-KBPBESRZSA-N 2 0 287.423 1.467 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001317079947 957254233 /nfs/dbraw/zinc/25/42/33/957254233.db2.gz MIIUQORXAYLTIM-HDJSIYSDSA-N 2 0 279.428 1.652 10 0 CDAERP CC1CC(C[N@@H+]2CCC[C@H](NC(=O)CC[NH+](C)C)C2)C1 ZINC001366901943 957258572 /nfs/dbraw/zinc/25/85/72/957258572.db2.gz PCPFSNBAALGXFB-NRXISQOPSA-N 2 0 281.444 1.565 10 0 CDAERP O=C(Cc1c[nH]cn1)NCC1C[NH+](CC2CCCC2)C1 ZINC001366978608 957312670 /nfs/dbraw/zinc/31/26/70/957312670.db2.gz LHKFPZOYADGXLM-UHFFFAOYSA-N 2 0 276.384 1.190 10 0 CDAERP CC(C)=CC[N@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001317179060 957328108 /nfs/dbraw/zinc/32/81/08/957328108.db2.gz PPZXYWIMNALJHU-HNNXBMFYSA-N 2 0 281.444 1.875 10 0 CDAERP C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)[C@H](C)[NH2+]CCF ZINC001424834097 957375827 /nfs/dbraw/zinc/37/58/27/957375827.db2.gz PECKXDAAXWJCGT-QWHCGFSZSA-N 2 0 273.396 1.171 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cnc(C)o1 ZINC001424838965 957376679 /nfs/dbraw/zinc/37/66/79/957376679.db2.gz PRWLEMRERZLVHK-NEPJUHHUSA-N 2 0 296.415 1.308 10 0 CDAERP C[C@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H](C)[NH2+]C/C=C/Cl ZINC001424836796 957376936 /nfs/dbraw/zinc/37/69/36/957376936.db2.gz XGXUUZPPNFANFD-LHXDFBSTSA-N 2 0 287.835 1.564 10 0 CDAERP C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]CCCF ZINC001317262613 957388516 /nfs/dbraw/zinc/38/85/16/957388516.db2.gz DMAHLEYIOALSPU-LBPRGKRZSA-N 2 0 275.412 1.418 10 0 CDAERP C[NH+](C)CCC(=O)NCC1C[NH+](Cc2ccccc2)C1 ZINC001494591071 972264072 /nfs/dbraw/zinc/26/40/72/972264072.db2.gz OWBNMGDCCJIEEW-UHFFFAOYSA-N 2 0 275.396 1.186 10 0 CDAERP CCCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001317322751 957423143 /nfs/dbraw/zinc/42/31/43/957423143.db2.gz PWFDSYFFIBLUEF-GDBMZVCRSA-N 2 0 293.455 1.566 10 0 CDAERP CCOCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001317363126 957437423 /nfs/dbraw/zinc/43/74/23/957437423.db2.gz JVWDQYLLVPVOTN-HUUCEWRRSA-N 2 0 297.443 1.136 10 0 CDAERP C[C@H](CCNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CCCO ZINC001317392825 957450262 /nfs/dbraw/zinc/45/02/62/957450262.db2.gz HRLDPUYTZUFRBT-CQSZACIVSA-N 2 0 299.459 1.118 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH+](C)CC1CCCC1 ZINC001425032359 957450698 /nfs/dbraw/zinc/45/06/98/957450698.db2.gz RGQPWHJUJZWEGD-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)CC1CCCCC1 ZINC001425077382 957464097 /nfs/dbraw/zinc/46/40/97/957464097.db2.gz QFJWYXJYFDYWEV-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](F)CC[NH+]1CC([C@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001425246457 957499742 /nfs/dbraw/zinc/49/97/42/957499742.db2.gz CDWXNPZKPWUILJ-OLZOCXBDSA-N 2 0 287.423 1.513 10 0 CDAERP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC)CC1(C)C)[NH+](CC)CC ZINC001425298709 957510497 /nfs/dbraw/zinc/51/04/97/957510497.db2.gz AAVIUFBJVBLQIC-UONOGXRCSA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC2CCC2)C1)[NH+](C)C ZINC001425422592 957531946 /nfs/dbraw/zinc/53/19/46/957531946.db2.gz NWDTWQDGTKFUHT-KKUMJFAQSA-N 2 0 281.444 1.611 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC(C)C)CC[N@@H+]1C ZINC001425581899 957574176 /nfs/dbraw/zinc/57/41/76/957574176.db2.gz WWLCGGCNQSCPQK-QLFBSQMISA-N 2 0 283.460 1.809 10 0 CDAERP CN(CC[NH2+]CCF)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001317584544 957582091 /nfs/dbraw/zinc/58/20/91/957582091.db2.gz HYGBRRQADGUWJD-CQSZACIVSA-N 2 0 299.434 1.659 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC1CC1 ZINC001425689112 957600617 /nfs/dbraw/zinc/60/06/17/957600617.db2.gz BJAJOGZBWQEJOJ-HIFRSBDPSA-N 2 0 281.444 1.707 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)CC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001317656877 957625624 /nfs/dbraw/zinc/62/56/24/957625624.db2.gz CKEGCWZBHOBTBJ-OAGGEKHMSA-N 2 0 295.471 1.812 10 0 CDAERP CN(CC[NH2+]CCCF)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001317669728 957631431 /nfs/dbraw/zinc/63/14/31/957631431.db2.gz JYDIFQSZJSKUEH-UHFFFAOYSA-N 2 0 295.402 1.769 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@]12CCC[C@@H]1[NH+](CCOC)CC2 ZINC001425917127 957642628 /nfs/dbraw/zinc/64/26/28/957642628.db2.gz VSVFLVZUVLLWHC-GOEBONIOSA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cccnc1 ZINC001367138282 957700546 /nfs/dbraw/zinc/70/05/46/957700546.db2.gz HTDPCKZVTZPKQW-LSDHHAIUSA-N 2 0 290.411 1.018 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001367225485 957856805 /nfs/dbraw/zinc/85/68/05/957856805.db2.gz FFLRJNDJKPGHQD-ZIAGYGMSSA-N 2 0 285.407 1.411 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)(C)C ZINC001332841108 957879233 /nfs/dbraw/zinc/87/92/33/957879233.db2.gz HESYAJGZWSWTNV-STQMWFEESA-N 2 0 269.433 1.611 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001367373415 957976776 /nfs/dbraw/zinc/97/67/76/957976776.db2.gz CPDVIICROULIIG-KGLIPLIRSA-N 2 0 283.460 1.811 10 0 CDAERP CC[C@H](C(=O)N(C)C1CC([NH2+]CCCF)C1)[NH+](C)C ZINC001333083813 958059714 /nfs/dbraw/zinc/05/97/14/958059714.db2.gz ZSXUMBYHZLHIJW-WXRRBKDZSA-N 2 0 273.396 1.265 10 0 CDAERP CN(C(=O)CC[NH+](C)C)C1CC([NH2+]CCOC2CCC2)C1 ZINC001333116763 958079564 /nfs/dbraw/zinc/07/95/64/958079564.db2.gz ZCQCOPOZUFQBKI-UHFFFAOYSA-N 2 0 297.443 1.086 10 0 CDAERP CC[C@@H](F)C[N@H+]1CC=C(CNC(=O)CC[NH+](C)C)CC1 ZINC001333392375 958305400 /nfs/dbraw/zinc/30/54/00/958305400.db2.gz VUPNWEYYIDVPFC-CQSZACIVSA-N 2 0 285.407 1.435 10 0 CDAERP CCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001367817397 958394985 /nfs/dbraw/zinc/39/49/85/958394985.db2.gz XDABXUSXXDEEAU-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H](C[N@H+](C)CCC(C)(C)C)NC(=O)C[NH+]1CCCC1 ZINC001367854460 958435832 /nfs/dbraw/zinc/43/58/32/958435832.db2.gz ILLCUDPPFKBYFI-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C[NH2+]CC)C2CC2)C1 ZINC001367905395 958470971 /nfs/dbraw/zinc/47/09/71/958470971.db2.gz KSEXZHVAPYWOGR-GJZGRUSLSA-N 2 0 281.444 1.613 10 0 CDAERP CC[N@H+](CCOC)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001368051717 958603790 /nfs/dbraw/zinc/60/37/90/958603790.db2.gz NJQNDKYSQCKZRD-OAHLLOKOSA-N 2 0 297.443 1.040 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCF)C[C@H]1C ZINC001368102787 958638852 /nfs/dbraw/zinc/63/88/52/958638852.db2.gz HUMOMNGOZSHVTA-OLZOCXBDSA-N 2 0 273.396 1.265 10 0 CDAERP CC1(NC(=O)C[NH+]2CCCC2)CC[NH+](C/C=C\Cl)CC1 ZINC001368127026 958651698 /nfs/dbraw/zinc/65/16/98/958651698.db2.gz FHGBHAAJKHZBPC-DAXSKMNVSA-N 2 0 299.846 1.805 10 0 CDAERP CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001319870740 958762183 /nfs/dbraw/zinc/76/21/83/958762183.db2.gz UKCHKSLGPLFWSD-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP CCCCC[N@H+](C)CCN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001320043513 958897156 /nfs/dbraw/zinc/89/71/56/958897156.db2.gz XXNCCQBXGDWBGH-HNNXBMFYSA-N 2 0 283.460 1.909 10 0 CDAERP C[NH+](C)CCCC(=O)N1CCC(C)([NH2+]CCF)CC1 ZINC001368657881 959020709 /nfs/dbraw/zinc/02/07/09/959020709.db2.gz RATHLLUCJQFCSE-UHFFFAOYSA-N 2 0 273.396 1.268 10 0 CDAERP CC(C)CC[NH+]1CC([C@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001369087120 959449360 /nfs/dbraw/zinc/44/93/60/959449360.db2.gz FEPPOQKXZLJZSY-GJZGRUSLSA-N 2 0 295.471 1.811 10 0 CDAERP C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1C[NH+](CC2CCC2)C1 ZINC001369093311 959453776 /nfs/dbraw/zinc/45/37/76/959453776.db2.gz LESGLDIPPXBFKK-HIFRSBDPSA-N 2 0 293.455 1.565 10 0 CDAERP CC(C)=CC[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC001495209139 972436863 /nfs/dbraw/zinc/43/68/63/972436863.db2.gz IQADPSHPYVOJHS-OAHLLOKOSA-N 2 0 293.455 1.923 10 0 CDAERP CC(C)C[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001321122816 959603982 /nfs/dbraw/zinc/60/39/82/959603982.db2.gz ZWLPFYXNELZALY-GEXIGZQTSA-N 2 0 267.417 1.389 10 0 CDAERP CC[C@H](F)C[NH2+]C/C=C/CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001321334675 959726763 /nfs/dbraw/zinc/72/67/63/959726763.db2.gz CALVCXVZBRBRLX-CTXXGXLOSA-N 2 0 285.407 1.338 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NC/C=C/C[NH2+]CC2CCC2)C1 ZINC001321391215 959764618 /nfs/dbraw/zinc/76/46/18/959764618.db2.gz BUJPYWYGVQMOBS-BAABZTOOSA-N 2 0 265.401 1.000 10 0 CDAERP C[C@H]1C[C@H](N(C)C(=O)C[NH2+]C(C)(C)C)CC[N@@H+]1C ZINC001322046884 960065964 /nfs/dbraw/zinc/06/59/64/960065964.db2.gz JQFHPLPJEHQMFP-NWDGAFQWSA-N 2 0 255.406 1.316 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]([NH2+]C/C=C/Cl)C1 ZINC001370365438 960070537 /nfs/dbraw/zinc/07/05/37/960070537.db2.gz VDDBWVPQEXJFLE-IUGWJDQWSA-N 2 0 299.846 1.804 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001370404082 960084041 /nfs/dbraw/zinc/08/40/41/960084041.db2.gz JCUBNRVFFBSLOE-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@H]1C[C@@H]([NH2+]CCC(F)(F)F)C1 ZINC001370672121 960180110 /nfs/dbraw/zinc/18/01/10/960180110.db2.gz YRYKJTQVEBCWEH-PHIMTYICSA-N 2 0 295.349 1.517 10 0 CDAERP CCC(CC)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001370715780 960186370 /nfs/dbraw/zinc/18/63/70/960186370.db2.gz VZILMDITBGPLNG-ZNMIVQPWSA-N 2 0 283.460 2.000 10 0 CDAERP C[C@H](F)CC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001322442613 960221252 /nfs/dbraw/zinc/22/12/52/960221252.db2.gz NTTDDWPHYAVGHG-STQMWFEESA-N 2 0 273.396 1.267 10 0 CDAERP CN(CCC[NH2+]Cc1ccc(F)cc1)C(=O)CC[NH+](C)C ZINC001322678401 960295054 /nfs/dbraw/zinc/29/50/54/960295054.db2.gz OMVXXXHEAGZQLK-UHFFFAOYSA-N 2 0 295.402 1.716 10 0 CDAERP Cc1nc[nH]c1CC(=O)N(C)CCC[NH2+]CCC(C)C ZINC001322808600 960332329 /nfs/dbraw/zinc/33/23/29/960332329.db2.gz YKWMZHOHKFSWFK-UHFFFAOYSA-N 2 0 280.416 1.745 10 0 CDAERP CC(C)C[NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001322836274 960338573 /nfs/dbraw/zinc/33/85/73/960338573.db2.gz PIYFNCGWZRAKSA-ZDUSSCGKSA-N 2 0 255.406 1.032 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)CC(C)(C)C1 ZINC001418830532 961072197 /nfs/dbraw/zinc/07/21/97/961072197.db2.gz WQDAFQRHPBTZTC-CQSZACIVSA-N 2 0 283.460 1.953 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CC[NH+](CCF)C1 ZINC001418891723 961134676 /nfs/dbraw/zinc/13/46/76/961134676.db2.gz PMHSCNQSZQVVSE-HUUCEWRRSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@]12CC[NH+](C1)CCC2 ZINC001434306576 961152388 /nfs/dbraw/zinc/15/23/88/961152388.db2.gz BLZJSVFPEIFHGS-ZBFHGGJFSA-N 2 0 279.428 1.461 10 0 CDAERP CC[C@H](C)C[NH+]1CC(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001419037830 961293641 /nfs/dbraw/zinc/29/36/41/961293641.db2.gz GRPFSJQWYHNZRQ-AWEZNQCLSA-N 2 0 295.471 1.812 10 0 CDAERP CC[C@@H](C[N@@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)C)C1)OC ZINC001419145952 961426599 /nfs/dbraw/zinc/42/65/99/961426599.db2.gz GWLFZJCRPODRFD-GJZGRUSLSA-N 2 0 299.459 1.286 10 0 CDAERP CC[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]CCC(F)(F)F ZINC001419279510 961561488 /nfs/dbraw/zinc/56/14/88/961561488.db2.gz YSWIKCPHIKPQFG-LLVKDONJSA-N 2 0 297.365 1.763 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC[C@@H]2CCCCO2)C1 ZINC001419489342 961754353 /nfs/dbraw/zinc/75/43/53/961754353.db2.gz JTDSSLBYAIIYOS-ZNMIVQPWSA-N 2 0 297.443 1.134 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[NH2+]CCF ZINC001419739209 962056235 /nfs/dbraw/zinc/05/62/35/962056235.db2.gz DOUOYLRMSDDFMU-KBPBESRZSA-N 2 0 299.434 1.705 10 0 CDAERP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CCC1 ZINC001419939389 962256575 /nfs/dbraw/zinc/25/65/75/962256575.db2.gz WCBBNKABYCOTQK-CABCVRRESA-N 2 0 281.444 1.469 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001436729645 962371636 /nfs/dbraw/zinc/37/16/36/962371636.db2.gz FQMNWQVUPLJVMT-HNNXBMFYSA-N 2 0 293.455 1.709 10 0 CDAERP Cc1oncc1C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001420069096 962446096 /nfs/dbraw/zinc/44/60/96/962446096.db2.gz QGKKMAJCTKCJMW-RISCZKNCSA-N 2 0 294.399 1.062 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001437024224 962564946 /nfs/dbraw/zinc/56/49/46/962564946.db2.gz SOVFAUIFDXVZRO-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)CC1CC1 ZINC001420384988 962834767 /nfs/dbraw/zinc/83/47/67/962834767.db2.gz GKRAAGQNVPGTBA-HNNXBMFYSA-N 2 0 279.428 1.176 10 0 CDAERP C[N@H+](CCC1CC1)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001437992742 963274501 /nfs/dbraw/zinc/27/45/01/963274501.db2.gz SFZORALPAWWRFH-HOTGVXAUSA-N 2 0 293.455 1.519 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001420851731 963305313 /nfs/dbraw/zinc/30/53/13/963305313.db2.gz JTELRCHXNAXMIE-LSDHHAIUSA-N 2 0 281.444 1.707 10 0 CDAERP CCCC[NH+]1CC(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001438136786 963338721 /nfs/dbraw/zinc/33/87/21/963338721.db2.gz YJMZYZFNSRRAJF-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H](F)CC[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001420960301 963384863 /nfs/dbraw/zinc/38/48/63/963384863.db2.gz QQUZNDULKYNSKY-LBPRGKRZSA-N 2 0 285.407 1.457 10 0 CDAERP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC[C@@H]1CCCO1 ZINC001438362177 963432261 /nfs/dbraw/zinc/43/22/61/963432261.db2.gz DQDFYTHIHKFEDG-GJZGRUSLSA-N 2 0 297.443 1.136 10 0 CDAERP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]Cc1ccccc1 ZINC001438548251 963483555 /nfs/dbraw/zinc/48/35/55/963483555.db2.gz QCWPBWYRMHSLNE-HNNXBMFYSA-N 2 0 289.423 1.624 10 0 CDAERP CC(C)CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001438769158 963545282 /nfs/dbraw/zinc/54/52/82/963545282.db2.gz KCINSCOZMBRTGX-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]C(C)C)C(C)C ZINC001438796052 963555306 /nfs/dbraw/zinc/55/53/06/963555306.db2.gz DRGWWXFLOATGJA-LSDHHAIUSA-N 2 0 283.460 2.000 10 0 CDAERP CC(C)C[NH2+]C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001439479503 963770492 /nfs/dbraw/zinc/77/04/92/963770492.db2.gz LWFVHNMPPRNSED-HIFRSBDPSA-N 2 0 281.444 1.469 10 0 CDAERP CC(C)[NH2+]C[C@@H](NC(=O)C[N@H+](C)C(C)C)C1CCCC1 ZINC001439817375 963867544 /nfs/dbraw/zinc/86/75/44/963867544.db2.gz WAIZSVNSBLRDQP-OAHLLOKOSA-N 2 0 283.460 2.000 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CC[C@H](C)F ZINC001440446768 964053936 /nfs/dbraw/zinc/05/39/36/964053936.db2.gz HACYXSWIHQUCTR-MELADBBJSA-N 2 0 287.423 1.655 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC[N@@H+]1CC1CC1 ZINC001440493898 964083955 /nfs/dbraw/zinc/08/39/55/964083955.db2.gz HXMVAFYEHHNUPO-KBMXLJTQSA-N 2 0 293.455 1.850 10 0 CDAERP CC(C)[C@@H](CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CC1 ZINC001441091895 964358199 /nfs/dbraw/zinc/35/81/99/964358199.db2.gz OYBAFGYHMFPRSP-HZPDHXFCSA-N 2 0 295.471 1.811 10 0 CDAERP CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001441264827 964439923 /nfs/dbraw/zinc/43/99/23/964439923.db2.gz CIHFZXSOHGSJAK-UONOGXRCSA-N 2 0 299.459 1.188 10 0 CDAERP CC(C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001441287144 964450851 /nfs/dbraw/zinc/45/08/51/964450851.db2.gz SGIDRFNHXDQDCF-TUVASFSCSA-N 2 0 279.428 1.031 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001441354134 964471819 /nfs/dbraw/zinc/47/18/19/964471819.db2.gz XBQKFFJZSUDAAI-XFIYOXNOSA-N 2 0 295.471 1.857 10 0 CDAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC[C@H](C)F)C1 ZINC001441493652 964550733 /nfs/dbraw/zinc/55/07/33/964550733.db2.gz SHQBVRBNOXBPSQ-XQLPTFJDSA-N 2 0 299.434 1.844 10 0 CDAERP Cc1cc(C[NH2+][C@H](C)CN(C)C(=O)CC[NH+](C)C)cs1 ZINC001441588841 964606028 /nfs/dbraw/zinc/60/60/28/964606028.db2.gz ILNXEBQXAHYKIB-GFCCVEGCSA-N 2 0 297.468 1.945 10 0 CDAERP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001441600176 964610698 /nfs/dbraw/zinc/61/06/98/964610698.db2.gz VZQBGKULIIATTG-UONOGXRCSA-N 2 0 299.459 1.190 10 0 CDAERP C[N@@H+]1CC[C@H](CNC(=O)c2ccc(C[NH+]3CCCC3)o2)C1 ZINC001441959729 964808009 /nfs/dbraw/zinc/80/80/09/964808009.db2.gz YHRPIEWYTNEEDJ-CYBMUJFWSA-N 2 0 291.395 1.557 10 0 CDAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC001346105044 964929317 /nfs/dbraw/zinc/92/93/17/964929317.db2.gz POWOVKUWALJYQI-BFHYXJOUSA-N 2 0 267.417 1.304 10 0 CDAERP CC[C@H](F)C[N@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001442743907 965195987 /nfs/dbraw/zinc/19/59/87/965195987.db2.gz ISDAQIQJXYAXEE-STQMWFEESA-N 2 0 273.396 1.124 10 0 CDAERP CCC[N@H+](CCF)CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001442967830 965298737 /nfs/dbraw/zinc/29/87/37/965298737.db2.gz MJOCZJFQYZZRSR-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP Cc1ncc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCC[N@@H+]2C)o1 ZINC001444577887 965883177 /nfs/dbraw/zinc/88/31/77/965883177.db2.gz BXNWDRVGCANXBE-SMDDNHRTSA-N 2 0 294.399 1.014 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+]Cc1cncs1 ZINC001445471792 966203554 /nfs/dbraw/zinc/20/35/54/966203554.db2.gz LGKQGYKMNYWADJ-LLVKDONJSA-N 2 0 284.429 1.079 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N1CCC[C@@H]1C[NH2+]C(C)C ZINC001446436984 966544770 /nfs/dbraw/zinc/54/47/70/966544770.db2.gz CRXYQIGROLHIKY-KGLIPLIRSA-N 2 0 287.423 1.655 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1CCC(CC)([NH2+]CCO)CC1 ZINC001447426222 966783992 /nfs/dbraw/zinc/78/39/92/966783992.db2.gz WDMBAUACWOPYPJ-UHFFFAOYSA-N 2 0 299.459 1.071 10 0 CDAERP CO[C@H]1C[C@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC001350956101 966811666 /nfs/dbraw/zinc/81/16/66/966811666.db2.gz LZFLPJIEYHGZDG-ARILJUKYSA-N 2 0 268.401 1.158 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001447762507 966864762 /nfs/dbraw/zinc/86/47/62/966864762.db2.gz WGLSQPSGJNAIIS-CVEARBPZSA-N 2 0 293.455 1.661 10 0 CDAERP CC(C)C[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001447791548 966879003 /nfs/dbraw/zinc/87/90/03/966879003.db2.gz GKVHQEUMUJCQAS-GPANFISMSA-N 2 0 295.471 2.000 10 0 CDAERP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001448381629 967088187 /nfs/dbraw/zinc/08/81/87/967088187.db2.gz BVYCGULXPGYCDS-CQSZACIVSA-N 2 0 299.459 1.190 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[NH+](C[C@@H](C)OC)CC1(C)C ZINC001448398073 967094964 /nfs/dbraw/zinc/09/49/64/967094964.db2.gz AHWPTCGNFFGGPF-KGLIPLIRSA-N 2 0 299.459 1.190 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H](C)CC[NH+](C)C ZINC001464880013 969828873 /nfs/dbraw/zinc/82/88/73/969828873.db2.gz HYVXNAFFUDDPQQ-CHWSQXEVSA-N 2 0 257.422 1.421 10 0 CDAERP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H](C)CC[NH+](C)C ZINC001361964725 970722364 /nfs/dbraw/zinc/72/23/64/970722364.db2.gz ACPWJVGYZNWIOO-RBSFLKMASA-N 2 0 283.460 1.811 10 0 CDAERP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)C[NH2+]CC1CCCC1 ZINC001495730124 972611406 /nfs/dbraw/zinc/61/14/06/972611406.db2.gz HOZFGQNRALIHSW-CQSZACIVSA-N 2 0 295.471 1.860 10 0 CDAERP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C[NH2+]CC1CCCC1 ZINC001495782846 972629879 /nfs/dbraw/zinc/62/98/79/972629879.db2.gz BJTBHBCVBSALGO-HOCLYGCPSA-N 2 0 295.471 1.860 10 0 CDAERP CC[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ncc(C)o1)[NH+](C)C ZINC001371772472 972633114 /nfs/dbraw/zinc/63/31/14/972633114.db2.gz NLBFFDBTLUFRMR-DGCLKSJQSA-N 2 0 296.415 1.308 10 0 CDAERP C[C@@H](C[NH2+]C/C=C\Cl)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001496143187 972814321 /nfs/dbraw/zinc/81/43/21/972814321.db2.gz XNYDAXPEPRRWIG-BZGOVLQXSA-N 2 0 287.835 1.660 10 0 CDAERP CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](CC)[NH+](CC)CC ZINC001496156801 972823995 /nfs/dbraw/zinc/82/39/95/972823995.db2.gz IIBJQLOSSQULBP-QWHCGFSZSA-N 2 0 257.422 1.563 10 0 CDAERP CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001496294127 972876232 /nfs/dbraw/zinc/87/62/32/972876232.db2.gz GLRLLDLITXEJFI-QWHCGFSZSA-N 2 0 255.406 1.079 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)CC1CC1 ZINC001372361654 972931651 /nfs/dbraw/zinc/93/16/51/972931651.db2.gz QKODFQUAKMWIMA-JKSUJKDBSA-N 2 0 293.455 1.851 10 0 CDAERP CC(C)[C@H](C(=O)NC[C@@H]1CC[N@H+](CCF)C1)[NH+]1CCCC1 ZINC001372677162 973079430 /nfs/dbraw/zinc/07/94/30/973079430.db2.gz CWTQQOQSXOOOGT-LSDHHAIUSA-N 2 0 299.434 1.514 10 0 CDAERP O=C(CCC[NH+]1CCCC1)N[C@H]1CCC[C@H]1C[NH2+]CCF ZINC001496920784 973145937 /nfs/dbraw/zinc/14/59/37/973145937.db2.gz ZBTFERWISOWDEZ-GJZGRUSLSA-N 2 0 299.434 1.706 10 0 CDAERP C[C@H](CC[NH2+]C/C=C/Cl)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001497188340 973236469 /nfs/dbraw/zinc/23/64/69/973236469.db2.gz HZCJVUUJTSNISB-SZOGZUGYSA-N 2 0 299.846 1.565 10 0 CDAERP CC(C)C[NH2+]CC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001497205760 973243582 /nfs/dbraw/zinc/24/35/82/973243582.db2.gz MBRJADMJLMTYKX-KGLIPLIRSA-N 2 0 271.449 1.713 10 0 CDAERP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)co1 ZINC001497241158 973258596 /nfs/dbraw/zinc/25/85/96/973258596.db2.gz LVQVPQLJZXFTKP-SMDDNHRTSA-N 2 0 294.399 1.062 10 0 CDAERP CO[C@@H](C)C[NH2+]CC[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001497276463 973273075 /nfs/dbraw/zinc/27/30/75/973273075.db2.gz MTXFHOQWICEMSF-KBPBESRZSA-N 2 0 299.459 1.238 10 0 CDAERP C[NH+](C)[C@@H]1CCCN(C(=O)CC[N@@H+]2CC[C@@H](F)C2)CC1 ZINC001417714155 973318889 /nfs/dbraw/zinc/31/88/89/973318889.db2.gz LIAVEIKNSAMVTH-ZIAGYGMSSA-N 2 0 285.407 1.363 10 0 CDAERP CC[NH2+]CCN(CC)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001497431360 973344137 /nfs/dbraw/zinc/34/41/37/973344137.db2.gz LVRVFCRWAFVHSC-UHFFFAOYSA-N 2 0 283.460 1.957 10 0 CDAERP CC[C@H](C(=O)N1CC[C@H](C[N@H+](C)CC(C)C)C1)[NH+](C)C ZINC001373292359 973351743 /nfs/dbraw/zinc/35/17/43/973351743.db2.gz UGXBKOBJKJKYBO-HUUCEWRRSA-N 2 0 283.460 1.763 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001373356812 973385338 /nfs/dbraw/zinc/38/53/38/973385338.db2.gz BEEZRKVAWYIBSI-IHRRRGAJSA-N 2 0 287.423 1.655 10 0 CDAERP CC[C@@H](F)CN1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001373633729 973534758 /nfs/dbraw/zinc/53/47/58/973534758.db2.gz UVWRPQJAPIQOHL-MCIONIFRSA-N 2 0 287.423 1.511 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1CC[N@H+](CCCF)C1)[NH+](CC)CC ZINC001373641422 973542158 /nfs/dbraw/zinc/54/21/58/973542158.db2.gz SAPTXXKLNKWLHD-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001497837011 973545188 /nfs/dbraw/zinc/54/51/88/973545188.db2.gz CSHPZJBBWMLIEA-ZIAGYGMSSA-N 2 0 269.433 1.611 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001418098889 973583521 /nfs/dbraw/zinc/58/35/21/973583521.db2.gz VWIKWKWDLVMNOL-FQUUOJAGSA-N 2 0 285.407 1.456 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]C(C)C ZINC001498050377 973650101 /nfs/dbraw/zinc/65/01/01/973650101.db2.gz BPMNGZUBBRQKFL-QWHCGFSZSA-N 2 0 255.406 1.364 10 0 CDAERP Cc1cc(F)ccc1C[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C ZINC001498105661 973685064 /nfs/dbraw/zinc/68/50/64/973685064.db2.gz NNHNCGUVYQVKTO-ZDUSSCGKSA-N 2 0 295.402 1.680 10 0 CDAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CCC(F)(F)F ZINC001418274634 973715958 /nfs/dbraw/zinc/71/59/58/973715958.db2.gz IXABNXVFYVQDBA-WDEREUQCSA-N 2 0 295.349 1.375 10 0 CDAERP CC(C)[NH2+][C@@H](C)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001418277417 973721392 /nfs/dbraw/zinc/72/13/92/973721392.db2.gz WBBCMXYODQBPNL-WFASDCNBSA-N 2 0 287.423 1.702 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]CCc1ccns1 ZINC001418314138 973744998 /nfs/dbraw/zinc/74/49/98/973744998.db2.gz RIGKDFUIOPZFMO-GFCCVEGCSA-N 2 0 298.456 1.120 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001418424358 973816679 /nfs/dbraw/zinc/81/66/79/973816679.db2.gz WKIFQKVWSMFIPV-CHWSQXEVSA-N 2 0 287.423 1.561 10 0 CDAERP Cc1ncc(C[NH2+][C@H](C)CCNC(=O)C[N@H+](C)C(C)C)o1 ZINC001418440290 973830431 /nfs/dbraw/zinc/83/04/31/973830431.db2.gz FWJRKZFWXFONQK-GFCCVEGCSA-N 2 0 296.415 1.308 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]CCCO ZINC001498622116 974000904 /nfs/dbraw/zinc/00/09/04/974000904.db2.gz SHYLWJUHRXZRFV-OAHLLOKOSA-N 2 0 299.459 1.070 10 0 CDAERP C[C@H](C[NH2+]Cc1ccsc1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001374799507 974127830 /nfs/dbraw/zinc/12/78/30/974127830.db2.gz SEOQJOAGOUAIEH-DGCLKSJQSA-N 2 0 281.425 1.437 10 0 CDAERP CCC(CC)C[NH2+]C[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001374810451 974134713 /nfs/dbraw/zinc/13/47/13/974134713.db2.gz LGCQTLCPJRIZQL-UONOGXRCSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@@H](C[NH2+]CC2CC2)C2CC2)CC[N@@H+]1C ZINC001375253417 974305754 /nfs/dbraw/zinc/30/57/54/974305754.db2.gz SVARRWPGKVJHMJ-RCBQFDQVSA-N 2 0 293.455 1.611 10 0 CDAERP CC(C)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001499857883 974316982 /nfs/dbraw/zinc/31/69/82/974316982.db2.gz OWYBXZSGIAZTCO-CABCVRRESA-N 2 0 283.460 1.952 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC2)C1 ZINC001375512292 974409257 /nfs/dbraw/zinc/40/92/57/974409257.db2.gz BBMQSTYLFLUXTP-SDSIWUNFSA-N 2 0 293.455 1.754 10 0 CDAERP C[C@@]1(C[NH2+]C/C=C\Cl)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001500402525 974432269 /nfs/dbraw/zinc/43/22/69/974432269.db2.gz UUHJCUQJUAMGPI-VOKGJARPSA-N 2 0 299.846 1.663 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1CC1CC1 ZINC001375605580 974434292 /nfs/dbraw/zinc/43/42/92/974434292.db2.gz PLEOHTOXUBXMEO-JKSUJKDBSA-N 2 0 293.455 1.850 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@]1(C)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001375893669 974503649 /nfs/dbraw/zinc/50/36/49/974503649.db2.gz FYIJNVGVMFEODO-RDJZCZTQSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001376166632 974591905 /nfs/dbraw/zinc/59/19/05/974591905.db2.gz PQBBZGZZRJZNAE-HUUCEWRRSA-N 2 0 299.434 1.801 10 0 CDAERP CC[C@@H](F)C[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)CC)C[C@H]2C1 ZINC001376418455 974656530 /nfs/dbraw/zinc/65/65/30/974656530.db2.gz PRJUZSLEMCEMKS-QLFBSQMISA-N 2 0 299.434 1.467 10 0 CDAERP CC[C@H](F)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001502026060 974677094 /nfs/dbraw/zinc/67/70/94/974677094.db2.gz LPEAROVQQHSEQH-OLZOCXBDSA-N 2 0 285.407 1.315 10 0 CDAERP CN(CCC[N@H+](C)CC1CC1)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001502390605 974731821 /nfs/dbraw/zinc/73/18/21/974731821.db2.gz LEVVRPJSMSXSGX-OAHLLOKOSA-N 2 0 281.444 1.519 10 0 CDAERP CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CC[C@H](C)F)C1)[NH+](C)C ZINC001502680956 974761823 /nfs/dbraw/zinc/76/18/23/974761823.db2.gz VFFSPLVWLMFEHD-MJBXVCDLSA-N 2 0 287.423 1.655 10 0 CDAERP CCCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001502753536 974776189 /nfs/dbraw/zinc/77/61/89/974776189.db2.gz BAUMUHAWHMRLQZ-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP CC[C@@H](C)C[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001376979098 974825460 /nfs/dbraw/zinc/82/54/60/974825460.db2.gz NHFMXUNUJGGSHD-HUUCEWRRSA-N 2 0 283.460 1.907 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H](C)n1ccnc1 ZINC001377405203 975009681 /nfs/dbraw/zinc/00/96/81/975009681.db2.gz NDMUTDIGWYTLNP-KGLIPLIRSA-N 2 0 278.400 1.823 10 0 CDAERP CC(C)COCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001506056096 975103392 /nfs/dbraw/zinc/10/33/92/975103392.db2.gz AHWQEBWUPNLBIL-LSDHHAIUSA-N 2 0 299.459 1.047 10 0 CDAERP CCCC[C@@H](C[NH2+]CCC)NC(=O)C12CC[NH+](CC1)C2 ZINC001506564691 975180361 /nfs/dbraw/zinc/18/03/61/975180361.db2.gz ZQVDDGAGIOFMFH-AWEZNQCLSA-N 2 0 281.444 1.757 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1CC[C@@]2(C1)C[NH+](CC)CCO2 ZINC001506722740 975206266 /nfs/dbraw/zinc/20/62/66/975206266.db2.gz GUQQWJQCFSNKGA-INIZCTEOSA-N 2 0 297.443 1.042 10 0 CDAERP C[C@@H](CCC[NH2+]CC1CC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001506946348 975268615 /nfs/dbraw/zinc/26/86/15/975268615.db2.gz KQJIXXAGRYDGQQ-DZGCQCFKSA-N 2 0 281.444 1.613 10 0 CDAERP CCN(C(=O)C[NH+]1CC[C@@H](C)C1)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001378205393 975285545 /nfs/dbraw/zinc/28/55/45/975285545.db2.gz ZFNKIFDESQBQCO-CVEARBPZSA-N 2 0 295.471 1.907 10 0 CDAERP COCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001507096743 975334257 /nfs/dbraw/zinc/33/42/57/975334257.db2.gz ZPDRYFBMGNKUOV-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@H](C)[NH2+]CCOC)C1 ZINC001507111391 975340476 /nfs/dbraw/zinc/34/04/76/975340476.db2.gz DALRFNIBERDNEX-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@@H](C)C[NH2+][C@@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001507116611 975341929 /nfs/dbraw/zinc/34/19/29/975341929.db2.gz CRRUKDUWSQMREW-KGLIPLIRSA-N 2 0 283.460 1.811 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCC2)CC1 ZINC001378449372 975354371 /nfs/dbraw/zinc/35/43/71/975354371.db2.gz JURMCXIRZNXDJC-SHTZXODSSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]C[C@@H]1CCCCO1 ZINC001507154015 975355915 /nfs/dbraw/zinc/35/59/15/975355915.db2.gz LRVKEWZIAQGTEA-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1[N@H+](CCC1CC1)CC2 ZINC001507349097 975427526 /nfs/dbraw/zinc/42/75/26/975427526.db2.gz RDXAMEOTHLIPGM-WBVHZDCISA-N 2 0 293.455 1.851 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001397082488 975458097 /nfs/dbraw/zinc/45/80/97/975458097.db2.gz WMTKOARQRHWSDH-MCIONIFRSA-N 2 0 299.434 1.561 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001397093151 975459903 /nfs/dbraw/zinc/45/99/03/975459903.db2.gz AZOXGGRANNUQIG-MELADBBJSA-N 2 0 285.407 1.315 10 0 CDAERP Cc1cc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCC[N@@H+]2C)on1 ZINC001401199813 975510168 /nfs/dbraw/zinc/51/01/68/975510168.db2.gz IKQVTIWGBKNVOV-JSGCOSHPSA-N 2 0 294.399 1.014 10 0 CDAERP C[C@H](C[NH2+]Cc1ccc(F)cc1)N(C)C(=O)CC[NH+](C)C ZINC001401237856 975537135 /nfs/dbraw/zinc/53/71/35/975537135.db2.gz KLFYNNHWWKEUIM-CYBMUJFWSA-N 2 0 295.402 1.714 10 0 CDAERP CC(C)[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC1CC1 ZINC001401392713 975640515 /nfs/dbraw/zinc/64/05/15/975640515.db2.gz WLTYWFJNKPTQNY-HUUCEWRRSA-N 2 0 281.444 1.469 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@@H]21 ZINC001379169423 975699816 /nfs/dbraw/zinc/69/98/16/975699816.db2.gz RLHIWBPXCPCXEO-HOTGVXAUSA-N 2 0 295.471 1.907 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccccc1 ZINC001379333576 975774989 /nfs/dbraw/zinc/77/49/89/975774989.db2.gz VKOJNHCPAWJXSI-OAHLLOKOSA-N 2 0 291.439 1.963 10 0 CDAERP CC[NH2+]C[C@H](C)NC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001401722435 975830197 /nfs/dbraw/zinc/83/01/97/975830197.db2.gz YQIOWGCOGKUEDX-ZFWWWQNUSA-N 2 0 277.412 1.794 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1CC[N@H+](CCCF)C1 ZINC001389451600 975835134 /nfs/dbraw/zinc/83/51/34/975835134.db2.gz KEYUEYWCGUMHPO-OLZOCXBDSA-N 2 0 291.386 1.216 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC12CC[NH+](CCF)CC2 ZINC001389524706 975888300 /nfs/dbraw/zinc/88/83/00/975888300.db2.gz GFBPUKMHXQEEPS-CYBMUJFWSA-N 2 0 285.407 1.267 10 0 CDAERP Cc1cc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)cs1 ZINC001379599560 975944803 /nfs/dbraw/zinc/94/48/03/975944803.db2.gz NMMRDCBFJFRISQ-SMDDNHRTSA-N 2 0 295.452 1.603 10 0 CDAERP CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001405956773 975947817 /nfs/dbraw/zinc/94/78/17/975947817.db2.gz SAYWAMQJIRBGNK-LSDHHAIUSA-N 2 0 299.459 1.095 10 0 CDAERP CC[C@H](C(=O)N[C@]12CCC[C@H]1[N@H+](CCOC)CC2)[NH+](C)C ZINC001379615326 975952544 /nfs/dbraw/zinc/95/25/44/975952544.db2.gz CSPJCBGHWRIVOE-FMKPAKJESA-N 2 0 297.443 1.086 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]([NH2+]CC2CCCC2)C2CC2)C1 ZINC001398456876 975994936 /nfs/dbraw/zinc/99/49/36/975994936.db2.gz NGMKAGWQDLDBBR-HZPDHXFCSA-N 2 0 293.455 1.613 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC(C)C2)C1)[NH+](C)C ZINC001389979618 976070410 /nfs/dbraw/zinc/07/04/10/976070410.db2.gz OHOHTSFWHVFDPB-IPOFZDNWSA-N 2 0 281.444 1.610 10 0 CDAERP C[C@H](C[NH2+]Cc1cccc(F)c1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001406425948 976178546 /nfs/dbraw/zinc/17/85/46/976178546.db2.gz CQXULUCJYHDPOY-TZMCWYRMSA-N 2 0 293.386 1.372 10 0 CDAERP Cc1ncc(C[NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)C2)s1 ZINC001402443365 976285189 /nfs/dbraw/zinc/28/51/89/976285189.db2.gz HCHNZBMNKVDMOJ-LBPRGKRZSA-N 2 0 296.440 1.094 10 0 CDAERP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC1CCCC1 ZINC001399116402 976347224 /nfs/dbraw/zinc/34/72/24/976347224.db2.gz ODDZGGQULNQPRD-UKRRQHHQSA-N 2 0 281.444 1.613 10 0 CDAERP CC1CCC(C[NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001390558741 976365859 /nfs/dbraw/zinc/36/58/59/976365859.db2.gz WTCZVRYWZZWKPO-GPANFISMSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001390617929 976393875 /nfs/dbraw/zinc/39/38/75/976393875.db2.gz CNGRBIMUZNUIHV-OAHLLOKOSA-N 2 0 283.460 1.907 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@H]([N@H+](C)CCO)C1)[NH+](CC)CC ZINC001390622930 976395431 /nfs/dbraw/zinc/39/54/31/976395431.db2.gz KSIKGLWQMVOQQT-LSDHHAIUSA-N 2 0 299.459 1.022 10 0 CDAERP CC(C)(C(=O)NC[C@@H]1CCC[N@H+](CCF)C1)[NH+]1CCCC1 ZINC001402666106 976433718 /nfs/dbraw/zinc/43/37/18/976433718.db2.gz KLLARCIOBOKYDL-AWEZNQCLSA-N 2 0 299.434 1.659 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC(C)([NH2+]CCF)CC2)C1 ZINC001402789148 976482207 /nfs/dbraw/zinc/48/22/07/976482207.db2.gz RTPHDUKDNWNINE-CYBMUJFWSA-N 2 0 285.407 1.268 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001390759742 976489367 /nfs/dbraw/zinc/48/93/67/976489367.db2.gz XOAPTGYTDRGTAE-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@H](F)CC[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001406990564 976505966 /nfs/dbraw/zinc/50/59/66/976505966.db2.gz UIWLLXSOJKPRPT-QWHCGFSZSA-N 2 0 285.407 1.315 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001390812611 976533723 /nfs/dbraw/zinc/53/37/23/976533723.db2.gz IRNLZMHOXZRUKW-IHRRRGAJSA-N 2 0 287.423 1.513 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CC)CC2 ZINC001380803482 976555068 /nfs/dbraw/zinc/55/50/68/976555068.db2.gz MQECDEAMZCTPQG-UHFFFAOYSA-N 2 0 281.444 1.663 10 0 CDAERP C[C@@H](c1cccc(F)c1)[N@H+](C)CCNC(=O)CC[NH+](C)C ZINC001399574720 976580522 /nfs/dbraw/zinc/58/05/22/976580522.db2.gz ZWOUOBYPCJDIQR-ZDUSSCGKSA-N 2 0 295.402 1.886 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NCC1([NH2+]CC[C@@H](C)F)CCC1 ZINC001380903529 976599553 /nfs/dbraw/zinc/59/95/53/976599553.db2.gz UCAKZMDGNZTPLL-CYBMUJFWSA-N 2 0 287.423 1.703 10 0 CDAERP CC(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001402945327 976608237 /nfs/dbraw/zinc/60/82/37/976608237.db2.gz YPKTUVQYDUUCBO-HNNXBMFYSA-N 2 0 283.460 1.907 10 0 CDAERP CC[N@H+](CCNC(=O)CC[NH+](C)C)Cc1csc(C)c1 ZINC001390953450 976619155 /nfs/dbraw/zinc/61/91/55/976619155.db2.gz DMDQGPXKROYRRN-UHFFFAOYSA-N 2 0 297.468 1.946 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CCC[NH+]1CC1CC1 ZINC001391058867 976667885 /nfs/dbraw/zinc/66/78/85/976667885.db2.gz WOKBSRWAGLXWLO-HOTGVXAUSA-N 2 0 293.455 1.851 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001391059084 976668798 /nfs/dbraw/zinc/66/87/98/976668798.db2.gz PKUHTQTVTUMOGP-CQSZACIVSA-N 2 0 281.444 1.851 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1CC[C@@H](C)F ZINC001391072571 976675667 /nfs/dbraw/zinc/67/56/67/976675667.db2.gz TUUBZZDWJVAJHD-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]C/C=C/Cl ZINC001381124481 976683477 /nfs/dbraw/zinc/68/34/77/976683477.db2.gz RNOZQZAVRUQFAY-MHDDQSTRSA-N 2 0 297.830 1.271 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+](C/C=C\Cl)C2)C1 ZINC001391104085 976693981 /nfs/dbraw/zinc/69/39/81/976693981.db2.gz VMFSRSHXRRVPNA-UQYDRJLZSA-N 2 0 299.846 1.519 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001399929851 976752560 /nfs/dbraw/zinc/75/25/60/976752560.db2.gz MTWQSPAUOQZQCT-CHWSQXEVSA-N 2 0 273.396 1.124 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H]([C@H]2CC[N@H+](CCF)C2)C1 ZINC001381316784 976757606 /nfs/dbraw/zinc/75/76/06/976757606.db2.gz YTMVZNGJTPLDJN-GJZGRUSLSA-N 2 0 299.434 1.468 10 0 CDAERP CC(C)C[NH2+]CC1CC(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001381328457 976761490 /nfs/dbraw/zinc/76/14/90/976761490.db2.gz SWVVBXGFWQPTIA-UHFFFAOYSA-N 2 0 281.444 1.469 10 0 CDAERP C[C@@H](O)C[N@H+](C)CCCN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001407901520 976826502 /nfs/dbraw/zinc/82/65/02/976826502.db2.gz QRSPHKURIDQEPY-CABCVRRESA-N 2 0 299.459 1.022 10 0 CDAERP CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)CC[NH+](C)C ZINC001408011418 976868050 /nfs/dbraw/zinc/86/80/50/976868050.db2.gz RKCWVHOLOCZVDK-INIZCTEOSA-N 2 0 289.423 1.501 10 0 CDAERP C[C@H](NC(=O)C[NH+]1CCCC1)C1C[NH+](CCC(C)(C)C)C1 ZINC001403351441 976903112 /nfs/dbraw/zinc/90/31/12/976903112.db2.gz WZHBSRPQUNOXFW-AWEZNQCLSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1[NH2+]CC1CCCC1 ZINC001408090105 976910334 /nfs/dbraw/zinc/91/03/34/976910334.db2.gz KKXATCOSXQXFLL-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001381721664 976990455 /nfs/dbraw/zinc/99/04/55/976990455.db2.gz TUERSBQKCGUQMQ-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cncs1 ZINC001403528419 977030490 /nfs/dbraw/zinc/03/04/90/977030490.db2.gz PZICNTKAUUTTRY-YPMHNXCESA-N 2 0 296.440 1.174 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H](C)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001403578440 977078226 /nfs/dbraw/zinc/07/82/26/977078226.db2.gz USXITCMXMHWEIO-ZIAGYGMSSA-N 2 0 299.434 1.799 10 0 CDAERP Cc1ncsc1C[NH2+]C[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001391923948 977152653 /nfs/dbraw/zinc/15/26/53/977152653.db2.gz LIXJXDFGHQHWAI-LLVKDONJSA-N 2 0 298.456 1.245 10 0 CDAERP C[C@@H](F)CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCCC1 ZINC001391997159 977178556 /nfs/dbraw/zinc/17/85/56/977178556.db2.gz QTGAGMGEVGPALL-KGLIPLIRSA-N 2 0 299.434 1.847 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCC(C)(C)C ZINC001400914371 977242257 /nfs/dbraw/zinc/24/22/57/977242257.db2.gz DYOVLAGSDIWBOH-ZIAGYGMSSA-N 2 0 283.460 1.859 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@@H](C)C1CC[NH+](CC)CC1 ZINC001404002395 977302350 /nfs/dbraw/zinc/30/23/50/977302350.db2.gz HBSQMEZNWLWSQU-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001392536058 977473838 /nfs/dbraw/zinc/47/38/38/977473838.db2.gz JLPICXAJGAJGPC-ZIAGYGMSSA-N 2 0 287.423 1.705 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1CC[N@@H+]1C(C)C ZINC001392834547 977613050 /nfs/dbraw/zinc/61/30/50/977613050.db2.gz LUYGISOBLUMILC-QWHCGFSZSA-N 2 0 273.396 1.265 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@](C)(C[NH2+]CC3CC3)C2)C1 ZINC001393171385 977723207 /nfs/dbraw/zinc/72/32/07/977723207.db2.gz VFAPPRQQZGOHHS-ZBFHGGJFSA-N 2 0 279.428 1.176 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CCC1 ZINC001393457009 977793893 /nfs/dbraw/zinc/79/38/93/977793893.db2.gz FSLCNKHVMUEVSF-HOTGVXAUSA-N 2 0 293.455 1.804 10 0 CDAERP CC1CC(C[N@H+](C)CCCN(C)C(=O)CC[NH+](C)C)C1 ZINC001393630798 977871510 /nfs/dbraw/zinc/87/15/10/977871510.db2.gz NUXDSVNNSMFJJX-UHFFFAOYSA-N 2 0 283.460 1.765 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CCC(C)([NH2+]CCF)CC2)CC[N@@H+]1C ZINC001393733699 977904002 /nfs/dbraw/zinc/90/40/02/977904002.db2.gz CXBIFPBOZXWVLG-CHWSQXEVSA-N 2 0 285.407 1.267 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC2CC2)C(C)(C)C1 ZINC001394709055 978237684 /nfs/dbraw/zinc/23/76/84/978237684.db2.gz AVSADLWMKQKTTK-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP COCC[N@H+](C)CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C(C)C ZINC001394799708 978263787 /nfs/dbraw/zinc/26/37/87/978263787.db2.gz XSJAYHFXXPMSBX-HUUCEWRRSA-N 2 0 299.459 1.142 10 0 CDAERP CN(C(=O)[C@H]1CCCC[N@@H+]1C)C1CC([NH2+]C/C=C\Cl)C1 ZINC001394853575 978283833 /nfs/dbraw/zinc/28/38/33/978283833.db2.gz HOPVDAMOUUNCPS-QRAIDZOMSA-N 2 0 299.846 1.802 10 0 CDAERP C[C@H](F)CC[NH2+]C1CC(N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001394852844 978284126 /nfs/dbraw/zinc/28/41/26/978284126.db2.gz FTCMMQIEWXKMLR-HSBZDZAISA-N 2 0 299.434 1.798 10 0 CDAERP CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]1C ZINC001674153850 1173920373 /nfs/dbraw/zinc/92/03/73/1173920373.db2.gz JABFZEGAOMQCDJ-QWHCGFSZSA-N 2 0 255.406 1.316 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC1CC1 ZINC001676351774 1174213436 /nfs/dbraw/zinc/21/34/36/1174213436.db2.gz VTQWKYFPCOHROH-OUCADQQQSA-N 2 0 267.417 1.173 10 0 CDAERP CCC[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001570736121 1170261435 /nfs/dbraw/zinc/26/14/35/1170261435.db2.gz RDQBQFZKBAOBLK-CHWSQXEVSA-N 2 0 255.406 1.175 10 0 CDAERP CCOCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001571493596 1170453893 /nfs/dbraw/zinc/45/38/93/1170453893.db2.gz SRRKQOSGRPPSSU-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)(C)OC(=O)COCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000601145564 342481333 /nfs/dbraw/zinc/48/13/33/342481333.db2.gz YDXOAHOLEQMTEY-UONOGXRCSA-N 2 0 298.427 1.561 10 0 CDAERP C[N@@H+](Cc1cc[nH+]c(NN)c1)CC1CCOCC1 ZINC000082545329 178089134 /nfs/dbraw/zinc/08/91/34/178089134.db2.gz YVPOVVLMZFGDQP-UHFFFAOYSA-N 2 0 250.346 1.226 10 0 CDAERP COC(=O)CC1(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)CC1 ZINC000592478679 342699446 /nfs/dbraw/zinc/69/94/46/342699446.db2.gz HSPSDPRGKOMPSJ-UONOGXRCSA-N 2 0 280.412 1.794 10 0 CDAERP CCO[C@@H](C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1)C1CC1 ZINC000625560129 342187370 /nfs/dbraw/zinc/18/73/70/342187370.db2.gz KQRDCLJBFQDVID-HOTGVXAUSA-N 2 0 282.428 1.333 10 0 CDAERP CCO[C@H](C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1)C1CC1 ZINC000625560131 342187396 /nfs/dbraw/zinc/18/73/96/342187396.db2.gz KQRDCLJBFQDVID-JKSUJKDBSA-N 2 0 282.428 1.333 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)CC(=O)Nc1ccc(F)cc1 ZINC000629391850 361906551 /nfs/dbraw/zinc/90/65/51/361906551.db2.gz FOEODUWSIVRBOM-LBPRGKRZSA-N 2 0 297.374 1.368 10 0 CDAERP [NH3+]CCCOCC[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000629399190 361918338 /nfs/dbraw/zinc/91/83/38/361918338.db2.gz NYANKZQXWFCVJI-UHFFFAOYSA-N 2 0 292.427 1.001 10 0 CDAERP CC(C)Cc1ncc(C[NH2+]CCOCCC[NH3+])s1 ZINC000629399971 361936499 /nfs/dbraw/zinc/93/64/99/361936499.db2.gz NLGXQGLINHMXDS-UHFFFAOYSA-N 2 0 271.430 1.797 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1cc(Cl)ccc1F ZINC000629400045 361937007 /nfs/dbraw/zinc/93/70/07/361937007.db2.gz ZJNDQOVYNOHIEJ-UHFFFAOYSA-N 2 0 260.740 1.934 10 0 CDAERP CC(C)(C)[NH+]1CCC([NH2+]CCOCCC[NH3+])CC1 ZINC000629399878 361937056 /nfs/dbraw/zinc/93/70/56/361937056.db2.gz XSGTYKMZWBQQCN-UHFFFAOYSA-N 3 0 257.422 1.204 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)NCCC1(C[NH3+])CC1 ZINC000652140497 539036554 /nfs/dbraw/zinc/03/65/54/539036554.db2.gz RJRVWYAHAQZBHM-GFCCVEGCSA-N 2 0 270.421 1.145 10 0 CDAERP CCn1nccc1CC[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000621776054 539107008 /nfs/dbraw/zinc/10/70/08/539107008.db2.gz AXSHEARJCJNRQJ-AWEZNQCLSA-N 2 0 276.428 1.910 10 0 CDAERP CCN1CCO[C@H](C[NH2+]C[C@@H]2CCOc3ccccc32)C1 ZINC000159079174 539113496 /nfs/dbraw/zinc/11/34/96/539113496.db2.gz RTTFXOATCGWTIP-LSDHHAIUSA-N 2 0 290.407 1.863 10 0 CDAERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000037644307 539142801 /nfs/dbraw/zinc/14/28/01/539142801.db2.gz CFARUJFTDLAAPY-UONOGXRCSA-N 3 0 253.434 1.648 10 0 CDAERP O=C([C@H]1C[C@H](F)C[NH2+]1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000188967170 342280418 /nfs/dbraw/zinc/28/04/18/342280418.db2.gz MHUBCQQSAHSHAE-OSRDXIQISA-N 2 0 295.402 1.162 10 0 CDAERP COc1ccnc(CN2CC[NH+](CCCF)CC2)c1 ZINC000626072153 342298981 /nfs/dbraw/zinc/29/89/81/342298981.db2.gz JNHWAJISBNTLPE-UHFFFAOYSA-N 2 0 267.348 1.567 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000594921123 342987137 /nfs/dbraw/zinc/98/71/37/342987137.db2.gz BMNFWZTUPHADDC-LXTVHRRPSA-N 2 0 298.427 1.011 10 0 CDAERP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)[C@H]2C[C@H]2C(=O)OC)C1 ZINC000594924933 342988884 /nfs/dbraw/zinc/98/88/84/342988884.db2.gz KUNRSVZRTJIJRW-AAVRWANBSA-N 2 0 268.401 1.506 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1c(C(F)(F)F)cnn1C ZINC000629513004 362122717 /nfs/dbraw/zinc/12/27/17/362122717.db2.gz JTLHNJVWQKUPIX-SECBINFHSA-N 2 0 294.321 1.282 10 0 CDAERP Cc1cccc2c1C[C@H]([NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])CO2 ZINC000629514161 362129105 /nfs/dbraw/zinc/12/91/05/362129105.db2.gz JTEBPQZMUILZFF-WMHQRMGPSA-N 2 0 290.407 1.640 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000629515135 362129981 /nfs/dbraw/zinc/12/99/81/362129981.db2.gz YWGDVBJKDDHQEY-STECZYCISA-N 2 0 290.407 1.470 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)o1 ZINC000645104585 362118602 /nfs/dbraw/zinc/11/86/02/362118602.db2.gz PCOPPPFXMCKOFT-DGCLKSJQSA-N 2 0 277.368 1.343 10 0 CDAERP [NH3+]CC1(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)CCCC1 ZINC000645105288 362118923 /nfs/dbraw/zinc/11/89/23/362118923.db2.gz YOIHXZFCIFJZAI-KBPBESRZSA-N 2 0 279.428 1.496 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+]CC2([NH3+])CCOCC2)C12CCC2 ZINC000629522742 362143079 /nfs/dbraw/zinc/14/30/79/362143079.db2.gz ADSDGRBYUBPLFO-QWHCGFSZSA-N 2 0 268.401 1.432 10 0 CDAERP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CC1([NH3+])CCOCC1 ZINC000629518668 362137684 /nfs/dbraw/zinc/13/76/84/362137684.db2.gz ATPLHLFPHTXHAJ-HIFRSBDPSA-N 2 0 278.396 1.860 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCOC3CCOCC3)C[C@@H]21 ZINC000629519749 362138634 /nfs/dbraw/zinc/13/86/34/362138634.db2.gz QNHKMBYXAMAZEJ-VHDGCEQUSA-N 2 0 268.401 1.241 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H]1CCc2c(cccc2OC)C1 ZINC000629530774 362159895 /nfs/dbraw/zinc/15/98/95/362159895.db2.gz QSMLFJYAEILRAD-CQSZACIVSA-N 2 0 278.396 1.378 10 0 CDAERP CCO[C@@H](C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+])C1CC1 ZINC000629527709 362153174 /nfs/dbraw/zinc/15/31/74/362153174.db2.gz CZUVEEUHLJUDDU-GJZGRUSLSA-N 2 0 297.443 1.121 10 0 CDAERP COc1cncc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000629532081 362163597 /nfs/dbraw/zinc/16/35/97/362163597.db2.gz LBUCLVHZNKUNOO-KBPBESRZSA-N 2 0 290.411 1.697 10 0 CDAERP C(CN1CCCC[C@H]1[C@H]1CCC[NH2+]1)OC1CCOCC1 ZINC000629533524 362171252 /nfs/dbraw/zinc/17/12/52/362171252.db2.gz GGDTVCQIBNAAHH-CVEARBPZSA-N 2 0 282.428 1.789 10 0 CDAERP Cc1cc(C)n(CCC[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)n1 ZINC000400413117 365753516 /nfs/dbraw/zinc/75/35/16/365753516.db2.gz UNJZBCUSCQKQKY-ZIAGYGMSSA-N 2 0 250.390 1.478 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C[C@H]1CCC[NH2+]C1 ZINC000251873886 344059982 /nfs/dbraw/zinc/05/99/82/344059982.db2.gz UGHUMTJETBVZBM-RBSFLKMASA-N 2 0 279.428 1.461 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCC(C[NH3+])CC1 ZINC000257698926 344371350 /nfs/dbraw/zinc/37/13/50/344371350.db2.gz NRWBJDSFGFZFPW-AWEZNQCLSA-N 2 0 267.417 1.448 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)C2CC[NH2+]CC2)[C@H](C)C1 ZINC000262669308 344697327 /nfs/dbraw/zinc/69/73/27/344697327.db2.gz MFXKRGCYHBXWDE-TZMCWYRMSA-N 2 0 267.417 1.175 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC000617343512 345175526 /nfs/dbraw/zinc/17/55/26/345175526.db2.gz VKUYXNXAJBDZLE-CHWSQXEVSA-N 2 0 267.417 1.317 10 0 CDAERP COc1cc(C)nc(C[NH2+]CCCN(C)CC[NH+](C)C)c1 ZINC000623087944 345200552 /nfs/dbraw/zinc/20/05/52/345200552.db2.gz PTINAYSWSFCSAY-UHFFFAOYSA-N 2 0 294.443 1.372 10 0 CDAERP CN1c2ccccc2C[N@H+](CC2CC[NH2+]CC2)CC1=O ZINC000623239916 345742383 /nfs/dbraw/zinc/74/23/83/345742383.db2.gz XGSIMVXHLSZOIL-UHFFFAOYSA-N 2 0 273.380 1.465 10 0 CDAERP COC[C@H](C)[N@H+](C)Cc1ccoc1C[NH2+]C1CC1 ZINC000052511572 522594884 /nfs/dbraw/zinc/59/48/84/522594884.db2.gz YFUUBNREMMJHMH-NSHDSACASA-N 2 0 252.358 1.998 10 0 CDAERP Cc1nscc1C(=O)NCCN(C)CCC[NH+](C)C ZINC000617764652 345960912 /nfs/dbraw/zinc/96/09/12/345960912.db2.gz BCNYVXUYZXHPST-UHFFFAOYSA-N 2 0 284.429 1.065 10 0 CDAERP CC[NH2+][C@](C)(CO)CCC[N@H+](C)C[C@@H]1CCCO1 ZINC000085242728 178984918 /nfs/dbraw/zinc/98/49/18/178984918.db2.gz DNOZZSOOIDDWLE-KBPBESRZSA-N 2 0 258.406 1.238 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCC(=O)NC(C)(C)C)CC1(C)C ZINC000623405557 346185261 /nfs/dbraw/zinc/18/52/61/346185261.db2.gz NWCVCMZHOLSJEQ-LBPRGKRZSA-N 2 0 269.433 1.754 10 0 CDAERP [NH3+]C[C@](O)(C[N@@H+]1CC[C@@H](c2ccccc2)C1)C1CC1 ZINC000085300006 179009945 /nfs/dbraw/zinc/00/99/45/179009945.db2.gz LZCWEQCOEQLWJE-ZBFHGGJFSA-N 2 0 260.381 1.576 10 0 CDAERP C[C@H]1C[C@@H](c2nc(C3([NH3+])CCCC3)no2)CC[NH2+]1 ZINC000563120895 293281570 /nfs/dbraw/zinc/28/15/70/293281570.db2.gz LYKDRSRVAKJAAN-UWVGGRQHSA-N 2 0 250.346 1.653 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000085369323 179039410 /nfs/dbraw/zinc/03/94/10/179039410.db2.gz OZCOZTAOCFZJIE-RRFJBIMHSA-N 2 0 279.428 1.591 10 0 CDAERP C(C[N@@H+]1CCCCC[C@H]1C1CC[NH2+]CC1)N1CCOCC1 ZINC000085403602 179053252 /nfs/dbraw/zinc/05/32/52/179053252.db2.gz XYAHHXVJUUZFRN-KRWDZBQOSA-N 2 0 295.471 1.563 10 0 CDAERP CCCc1nc2c(n1[C@@H]1C[NH+]3CCC1CC3)CC[NH2+]C2 ZINC000085568727 179095118 /nfs/dbraw/zinc/09/51/18/179095118.db2.gz YHBOREBBLXTUND-OAHLLOKOSA-N 2 0 274.412 1.748 10 0 CDAERP C[N@@H+]1CCC[C@H](n2c3c(nc2C(F)(F)F)C[NH2+]CC3)C1 ZINC000085572160 179096846 /nfs/dbraw/zinc/09/68/46/179096846.db2.gz FAWJUFGTAMHAMO-VIFPVBQESA-N 2 0 288.317 1.814 10 0 CDAERP C[N@H+](CCn1c2c(nc1C(C)(C)C)C[NH2+]CC2)C1CC1 ZINC000085572182 179097440 /nfs/dbraw/zinc/09/74/40/179097440.db2.gz KAKUJHCOPXKHDN-UHFFFAOYSA-N 2 0 276.428 1.921 10 0 CDAERP C[C@@H]1CC[NH2+][C@H](C(C)(C)C)C[N@@H+]1CCn1cccn1 ZINC000085624400 179107018 /nfs/dbraw/zinc/10/70/18/179107018.db2.gz NQJPAKUCDIDDCD-KGLIPLIRSA-N 2 0 264.417 1.982 10 0 CDAERP CCCCOC[C@@H](O)C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000227889412 346533697 /nfs/dbraw/zinc/53/36/97/346533697.db2.gz LHFOAULZMMVJBL-HIFRSBDPSA-N 2 0 270.417 1.238 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CCCNC(=O)C2CCC2)CC1(C)C ZINC000623440291 346758156 /nfs/dbraw/zinc/75/81/56/346758156.db2.gz QXNSTHXKFKLDRT-CQSZACIVSA-N 2 0 281.444 1.755 10 0 CDAERP CCc1nncn1CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623435539 346736199 /nfs/dbraw/zinc/73/61/99/346736199.db2.gz IMGQWSKTXOWOTB-LBPRGKRZSA-N 2 0 265.405 1.303 10 0 CDAERP CC(C)C[C@@H]1CN([C@@H]2CC[N@@H+](C3CC3)C2)CC[NH2+]1 ZINC000086146005 179238756 /nfs/dbraw/zinc/23/87/56/179238756.db2.gz SEPBDFZBQFVMQR-UKRRQHHQSA-N 2 0 251.418 1.543 10 0 CDAERP CC[N@@H+]1CC[C@H](CN2CC[NH2+][C@@](C)(C3CC3)C2)C1 ZINC000086141836 179236850 /nfs/dbraw/zinc/23/68/50/179236850.db2.gz FPYJISYOQYNQJG-DZGCQCFKSA-N 2 0 251.418 1.402 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CN2CC[NH2+][C@@](C)(C3CC3)C2)C1 ZINC000086146536 179239172 /nfs/dbraw/zinc/23/91/72/179239172.db2.gz ZCYSDHXHTJQOPI-GOEBONIOSA-N 2 0 265.445 1.791 10 0 CDAERP CC[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223084 179251180 /nfs/dbraw/zinc/25/11/80/179251180.db2.gz LAEGUXUIPWYMII-FVQBIDKESA-N 2 0 265.445 1.791 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H](CO)c2cccnc2)CC1(C)C ZINC000623525529 347615232 /nfs/dbraw/zinc/61/52/32/347615232.db2.gz QSFXWTQRDALGLP-LSDHHAIUSA-N 2 0 277.412 1.620 10 0 CDAERP CC[C@H](C(=O)N1CCC2(C1)CC[NH+](C)CC2)[NH+](C)C ZINC000614964367 348288149 /nfs/dbraw/zinc/28/81/49/348288149.db2.gz PQBPMCIJBMODMR-CYBMUJFWSA-N 2 0 267.417 1.271 10 0 CDAERP CC(C)OC[C@@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088164719 349261018 /nfs/dbraw/zinc/26/10/18/349261018.db2.gz BBCZYBPYCNYRMI-DKUMPPAJSA-N 2 0 270.417 1.377 10 0 CDAERP CC(C)[NH2+]CCC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088164272 349261079 /nfs/dbraw/zinc/26/10/79/349261079.db2.gz FGWYJXZNJXMEFR-AGUYFDCRSA-N 2 0 267.417 1.506 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(C(=O)N[C@@H]2CCC[N@H+](C)C2)C1 ZINC000073812124 350047832 /nfs/dbraw/zinc/04/78/32/350047832.db2.gz ZHVROZAOBHKECX-KGLIPLIRSA-N 2 0 282.432 1.206 10 0 CDAERP COc1ncc([C@@H](C)[NH2+]CCOCCC[NH3+])cc1Cl ZINC000629536867 362950520 /nfs/dbraw/zinc/95/05/20/362950520.db2.gz HNHCUGRBDWKWOX-SNVBAGLBSA-N 2 0 287.791 1.760 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+]CCOCCC[NH3+])C12CCC2 ZINC000629536681 362950660 /nfs/dbraw/zinc/95/06/60/362950660.db2.gz HSODAWSCPPWIIH-QWHCGFSZSA-N 2 0 256.390 1.289 10 0 CDAERP Cc1ncc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)o1 ZINC000628228134 362954760 /nfs/dbraw/zinc/95/47/60/362954760.db2.gz FFIZDWUROYUDLF-UHFFFAOYSA-N 2 0 267.373 1.308 10 0 CDAERP C[C@H]1CC[N@H+](CCOC2CCOCC2)C[C@@H]1C[NH3+] ZINC000629538717 362954966 /nfs/dbraw/zinc/95/49/66/362954966.db2.gz OYEKHIYTUCOBGT-STQMWFEESA-N 2 0 256.390 1.099 10 0 CDAERP CCO[C@@H](C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)C1CC1 ZINC000629534838 362959452 /nfs/dbraw/zinc/95/94/52/362959452.db2.gz CRLRCFBCOYKDCX-GJZGRUSLSA-N 2 0 252.402 1.877 10 0 CDAERP C[C@@H]([NH2+]CCOCCC[NH3+])c1ccccc1N(C)C ZINC000629541333 362965189 /nfs/dbraw/zinc/96/51/89/362965189.db2.gz ZLKSHKDFEZYPNI-CYBMUJFWSA-N 2 0 265.401 1.769 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+]CC(C)(C)C(=O)N1CCCC1 ZINC000629545094 362970650 /nfs/dbraw/zinc/97/06/50/362970650.db2.gz BFCDZJKSVDEWKF-RYUDHWBXSA-N 2 0 255.406 1.350 10 0 CDAERP CC(C)(C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1cnc[nH]1 ZINC000621675592 350709446 /nfs/dbraw/zinc/70/94/46/350709446.db2.gz DUCJUXPMBSXBLC-ZDUSSCGKSA-N 2 0 290.411 1.774 10 0 CDAERP O=C(CC[C@@H]1CCC[NH2+]C1)N1CCC2(CC[NH2+]2)CC1 ZINC000621665101 350701302 /nfs/dbraw/zinc/70/13/02/350701302.db2.gz QGKIKMLPAYRUAD-ZDUSSCGKSA-N 2 0 265.401 1.121 10 0 CDAERP CCn1nccc1CC[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000621774037 350770288 /nfs/dbraw/zinc/77/02/88/350770288.db2.gz JCUANCFUWNKAPP-ZDUSSCGKSA-N 2 0 250.390 1.377 10 0 CDAERP C[NH2+]CCOCCN(C)[C@H](C)C(=O)N(C)c1ccccc1 ZINC000629566991 363013648 /nfs/dbraw/zinc/01/36/48/363013648.db2.gz LGRCIQBXLVYZSZ-CQSZACIVSA-N 2 0 293.411 1.206 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@H]2CCCC[N@H+](C)C2)C1 ZINC000624306858 351543012 /nfs/dbraw/zinc/54/30/12/351543012.db2.gz RNPBYTVFTXHKKV-KFWWJZLASA-N 2 0 296.459 1.358 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000487415039 366051741 /nfs/dbraw/zinc/05/17/41/366051741.db2.gz OXTXZLRZNZDYGP-SOUVJXGZSA-N 2 0 281.444 1.850 10 0 CDAERP CC(C)(C[NH3+])C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000123088847 187070607 /nfs/dbraw/zinc/07/06/07/187070607.db2.gz TVMIJGQUTLGFHW-UHFFFAOYSA-N 2 0 253.390 1.058 10 0 CDAERP C[C@H](NCC[N@H+](C)C1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000556951993 290318642 /nfs/dbraw/zinc/31/86/42/290318642.db2.gz LLVJDQKSCMAPHE-UONOGXRCSA-N 2 0 253.434 1.839 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000333783554 363149232 /nfs/dbraw/zinc/14/92/32/363149232.db2.gz LHMPZEORLODVOC-VHDGCEQUSA-N 2 0 294.443 1.301 10 0 CDAERP CC(C)[NH2+]CC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000659325109 412563369 /nfs/dbraw/zinc/56/33/69/412563369.db2.gz JBLCJVADDZNSLI-CQSZACIVSA-N 2 0 261.369 1.069 10 0 CDAERP CN1CC[C@@H](C[NH3+])[C@H]1c1ccc(Br)o1 ZINC000250659900 366084485 /nfs/dbraw/zinc/08/44/85/366084485.db2.gz YMPWEWOZGDXGLX-XVKPBYJWSA-N 2 0 259.147 1.994 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262249584 303408382 /nfs/dbraw/zinc/40/83/82/303408382.db2.gz SKWZSIUNFPHBDP-RMRHIDDWSA-N 2 0 265.401 1.010 10 0 CDAERP CC(C)[C@@H]([NH3+])CNC(=O)NCC1([NH3+])CCCCCC1 ZINC000418281794 535214020 /nfs/dbraw/zinc/21/40/20/535214020.db2.gz FNBBVJPHAJKTBZ-LBPRGKRZSA-N 2 0 270.421 1.321 10 0 CDAERP O[C@@H](C[NH2+]C[C@H]1CCCC12CC2)C[NH+]1CCCC1 ZINC000629618254 363211710 /nfs/dbraw/zinc/21/17/10/363211710.db2.gz KUYWWLQXLPBMQM-KGLIPLIRSA-N 2 0 252.402 1.613 10 0 CDAERP C1=C(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)COCC1 ZINC000629649560 363248735 /nfs/dbraw/zinc/24/87/35/363248735.db2.gz WCWGXNRJHFNFKA-CABCVRRESA-N 2 0 250.386 1.797 10 0 CDAERP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCC(=O)NC2(C)C)C1 ZINC000644535674 366154564 /nfs/dbraw/zinc/15/45/64/366154564.db2.gz XVMCEZMWRLXXNH-QWHCGFSZSA-N 2 0 267.417 1.365 10 0 CDAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)c3c[nH+]ccc3N)CC[C@@H]21 ZINC000211290490 356524543 /nfs/dbraw/zinc/52/45/43/356524543.db2.gz BKDHECITXMMPDT-RISCZKNCSA-N 2 0 274.368 1.220 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000037821682 356542662 /nfs/dbraw/zinc/54/26/62/356542662.db2.gz FTQOQZGWPAWOSF-PMPSAXMXSA-N 2 0 293.455 1.707 10 0 CDAERP C[N@H+](CCCNC(=O)[C@@]12CC[NH+](C1)CCC2)CCC1CC1 ZINC001660380333 1172204805 /nfs/dbraw/zinc/20/48/05/1172204805.db2.gz VFEVURZVMBSYAL-KRWDZBQOSA-N 2 0 293.455 1.711 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000336397628 363501884 /nfs/dbraw/zinc/50/18/84/363501884.db2.gz AYJBOKNLQPGDHG-UKRRQHHQSA-N 2 0 281.444 1.659 10 0 CDAERP CCC(C)(C)NC(=O)C[NH+]1CCC(CC[NH2+]C)CC1 ZINC000070189898 356862118 /nfs/dbraw/zinc/86/21/18/356862118.db2.gz MFYXLYBZXZOWKN-UHFFFAOYSA-N 2 0 269.433 1.613 10 0 CDAERP Nc1nccc([C@H]2CCC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)n1 ZINC000582053267 357471112 /nfs/dbraw/zinc/47/11/12/357471112.db2.gz UACIJIDSIAVBJM-KGLIPLIRSA-N 2 0 289.427 1.458 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000054308249 358712166 /nfs/dbraw/zinc/71/21/66/358712166.db2.gz RTNVFQWZWCBDQN-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP C[NH+](C)CCS[C@H](C[NH3+])C(F)(F)C(F)(F)F ZINC000616571658 358722570 /nfs/dbraw/zinc/72/25/70/358722570.db2.gz ZTZBOAYAMOYPNP-ZCFIWIBFSA-N 2 0 266.279 1.806 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000062972759 358814065 /nfs/dbraw/zinc/81/40/65/358814065.db2.gz PPTKAGICYCKSRX-UONOGXRCSA-N 2 0 267.417 1.319 10 0 CDAERP O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000062113451 358800374 /nfs/dbraw/zinc/80/03/74/358800374.db2.gz FQXGOODCOPENBK-CQSZACIVSA-N 2 0 273.380 1.830 10 0 CDAERP CC(C)[C@H](C)NC(=O)C1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261872734 359072953 /nfs/dbraw/zinc/07/29/53/359072953.db2.gz PHHSEKOCUIKCFK-WMLDXEAASA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H]2C2CC2)CC1 ZINC000328600310 359080191 /nfs/dbraw/zinc/08/01/91/359080191.db2.gz WRYCWLUXAAHHDV-MRXNPFEDSA-N 2 0 265.445 1.887 10 0 CDAERP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261912522 359086710 /nfs/dbraw/zinc/08/67/10/359086710.db2.gz XTWNRLCJVNPNPV-HLPPOEQASA-N 2 0 279.428 1.352 10 0 CDAERP Cn1c2ccc(C[NH+]3CCC(C[NH3+])CC3)cc2sc1=O ZINC000262034307 359125261 /nfs/dbraw/zinc/12/52/61/359125261.db2.gz XMVULSLSJKNBMV-UHFFFAOYSA-N 2 0 291.420 1.771 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CC[NH2+]1 ZINC000262335126 359160860 /nfs/dbraw/zinc/16/08/60/359160860.db2.gz GAMGWOOKZCMYES-KKUMJFAQSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)N[C@H]1C[NH+](C(C)C)C[C@H]1C ZINC000119823720 359257193 /nfs/dbraw/zinc/25/71/93/359257193.db2.gz XIULJCAEZCKQSG-KGLIPLIRSA-N 2 0 284.448 1.355 10 0 CDAERP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000347521468 359410305 /nfs/dbraw/zinc/41/03/05/359410305.db2.gz LTFGKIUBPKNZCE-LSDHHAIUSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)C1(CNC(=O)CC2CC[NH+](C)CC2)CCCC1 ZINC000347526395 359450174 /nfs/dbraw/zinc/45/01/74/359450174.db2.gz OPWGWPLZIZISLV-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CSC1(C[NH2+]CCCC[NH+]2CCOCC2)CC1 ZINC000347919629 359695224 /nfs/dbraw/zinc/69/52/24/359695224.db2.gz KAENPWHIBMQGKU-UHFFFAOYSA-N 2 0 258.431 1.584 10 0 CDAERP CC(C)[C@@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423510994 359832406 /nfs/dbraw/zinc/83/24/06/359832406.db2.gz NACRLAMQVWQQKX-WLYUNCDWSA-N 2 0 253.434 1.837 10 0 CDAERP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CC2(O)CCC2)CC1 ZINC000336843684 359910574 /nfs/dbraw/zinc/91/05/74/359910574.db2.gz XSGXXQFOLRBKEO-HOTGVXAUSA-N 2 0 295.471 1.392 10 0 CDAERP CC(C)[C@H]([NH3+])CCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC000637865349 366652483 /nfs/dbraw/zinc/65/24/83/366652483.db2.gz YYLUAYBATATFHP-CQSZACIVSA-N 2 0 281.444 1.694 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2C[NH3+])[C@@H]1n1cccn1 ZINC000643491453 359942544 /nfs/dbraw/zinc/94/25/44/359942544.db2.gz CCKZPJHYEXKLJO-ZQNQSHIBSA-N 2 0 278.400 1.319 10 0 CDAERP CCC[NH+]1CCC([NH2+]C[C@H]2CCN(C)C(=O)C2)CC1 ZINC000424329626 360009049 /nfs/dbraw/zinc/00/90/49/360009049.db2.gz QSOJMFDFNOIUHW-ZDUSSCGKSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000424477971 360080769 /nfs/dbraw/zinc/08/07/69/360080769.db2.gz MJQYSUVMPILONW-KCPJHIHWSA-N 2 0 290.411 1.775 10 0 CDAERP CCOc1ccc(N2C(=[NH2+])NC(=[NH2+])NC2(C)C)cc1 ZINC000017148615 360113959 /nfs/dbraw/zinc/11/39/59/360113959.db2.gz VLQRTOJDGFJEIE-UHFFFAOYSA-N 2 0 261.329 1.271 10 0 CDAERP C[C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1[NH3+] ZINC000335379305 360128945 /nfs/dbraw/zinc/12/89/45/360128945.db2.gz IPJJVEFONVCXRT-SMDDNHRTSA-N 2 0 261.369 1.167 10 0 CDAERP [NH3+][C@@H]1CC[C@@H](C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000237934550 360176680 /nfs/dbraw/zinc/17/66/80/360176680.db2.gz QHKQJSKXHDSZEH-RBSFLKMASA-N 2 0 279.428 1.591 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)CCOCCO ZINC000337527347 360208324 /nfs/dbraw/zinc/20/83/24/360208324.db2.gz BZXDGHGEQVTHKQ-UHFFFAOYSA-N 2 0 290.367 1.016 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C[C@H]2CCSC2)CC1 ZINC000365875103 360499945 /nfs/dbraw/zinc/49/99/45/360499945.db2.gz FUKRLMJAXVVHJL-CVEARBPZSA-N 2 0 297.512 1.841 10 0 CDAERP CC(C)[NH2+]CCCNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000515522614 360508204 /nfs/dbraw/zinc/50/82/04/360508204.db2.gz AMHKMHHYPHOEEM-KGLIPLIRSA-N 2 0 284.448 1.499 10 0 CDAERP O=C(NC[C@H]1CCC[NH2+]1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000335610574 360547022 /nfs/dbraw/zinc/54/70/22/360547022.db2.gz YTLKULMGAZBFGA-HUUCEWRRSA-N 2 0 294.443 1.398 10 0 CDAERP C[NH+]1CCC(C)(C[NH2+][C@H]2CCCS(=O)(=O)CC2)CC1 ZINC000634974577 360586769 /nfs/dbraw/zinc/58/67/69/360586769.db2.gz FRBREDLAIMBSGL-ZDUSSCGKSA-N 2 0 288.457 1.275 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000516330792 360594170 /nfs/dbraw/zinc/59/41/70/360594170.db2.gz LJGWQYVCHMAVAE-QWHCGFSZSA-N 2 0 290.411 1.648 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[NH+]1CCC(C)CC1 ZINC000626934797 360654545 /nfs/dbraw/zinc/65/45/45/360654545.db2.gz NSANHRREWRVRLW-UONOGXRCSA-N 2 0 282.432 1.158 10 0 CDAERP C[C@H]1C[N@H+](Cc2cnn(Cc3ccccc3)c2)C[C@@H]1C[NH3+] ZINC000634999752 360637785 /nfs/dbraw/zinc/63/77/85/360637785.db2.gz YQPWLXKITNHHCC-YOEHRIQHSA-N 2 0 284.407 1.958 10 0 CDAERP C[C@H]1CC[C@H](NC(=O)NCC2([NH+](C)C)CCCC2)C[NH2+]1 ZINC000626920671 360638349 /nfs/dbraw/zinc/63/83/49/360638349.db2.gz IOXYTQSJMXCHOJ-STQMWFEESA-N 2 0 282.432 1.301 10 0 CDAERP C[C@H](CNC(=O)N[C@H]1CC[C@H](C)[NH2+]C1)C[NH+]1CCCC1 ZINC000626942579 360667370 /nfs/dbraw/zinc/66/73/70/360667370.db2.gz MWOCBWIFKUTVAB-RDBSUJKOSA-N 2 0 282.432 1.158 10 0 CDAERP C[C@H]1CC[C@@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)C[NH2+]1 ZINC000626941990 360674135 /nfs/dbraw/zinc/67/41/35/360674135.db2.gz IJPWLQRFRMHEMY-SWLSCSKDSA-N 2 0 294.443 1.301 10 0 CDAERP CC(C)OCC[C@H](O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429021152 360742077 /nfs/dbraw/zinc/74/20/77/360742077.db2.gz PLUAYJWQHPLOID-GJZGRUSLSA-N 2 0 270.417 1.190 10 0 CDAERP CC(C)[C@H](C(=O)N1CC[NH+]2CCC1CC2)[NH+]1CCCCC1 ZINC000335723158 360843720 /nfs/dbraw/zinc/84/37/20/360843720.db2.gz IQFJPDVVQMNBPZ-MRXNPFEDSA-N 2 0 293.455 1.804 10 0 CDAERP C[C@H]1C[C@@H](O)C[N@@H+]1Cc1cc(-n2ccnc2)cs1 ZINC000335726573 360853205 /nfs/dbraw/zinc/85/32/05/360853205.db2.gz SIHYVIMXJKUQSE-CMPLNLGQSA-N 2 0 263.366 1.889 10 0 CDAERP CC[C@H](O)C[NH+]1CCN(Cc2cccc3nccn32)CC1 ZINC000180163421 189240433 /nfs/dbraw/zinc/24/04/33/189240433.db2.gz OWYHBZRGFKRWAJ-HNNXBMFYSA-N 2 0 288.395 1.223 10 0 CDAERP O=C(CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)NCc1ccco1 ZINC000339068865 361257983 /nfs/dbraw/zinc/25/79/83/361257983.db2.gz IFSMGCSEHRIDBF-OLZOCXBDSA-N 2 0 277.368 1.112 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000456687190 363755944 /nfs/dbraw/zinc/75/59/44/363755944.db2.gz WFLMZWSCSKLSAI-MRXNPFEDSA-N 2 0 293.455 1.994 10 0 CDAERP CC[N@@H+]1C[C@H](C)N(C(=O)C[NH+]2CC[C@@H](C)C2)C[C@H]1C ZINC000566446630 370729157 /nfs/dbraw/zinc/72/91/57/370729157.db2.gz NDVQCTHFDHNNLS-MCIONIFRSA-N 2 0 267.417 1.269 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1C ZINC000104867148 364678584 /nfs/dbraw/zinc/67/85/84/364678584.db2.gz UYEINMRHMSTOLE-STQMWFEESA-N 2 0 253.390 1.071 10 0 CDAERP CCC(CC)(C[NH3+])C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000094459020 147088661 /nfs/dbraw/zinc/08/86/61/147088661.db2.gz ZANHFLGNNUELJP-STQMWFEESA-N 2 0 267.417 1.447 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)CC1CCCC1 ZINC000516563357 366870284 /nfs/dbraw/zinc/87/02/84/366870284.db2.gz GHVRIBSPAFMXDL-ZBFHGGJFSA-N 2 0 283.460 1.153 10 0 CDAERP C[C@@H](NC(=O)NC[C@H](C1CCCCC1)[NH+](C)C)[C@H](C)[NH3+] ZINC000417027042 296082647 /nfs/dbraw/zinc/08/26/47/296082647.db2.gz ZLVIWOMMDXAREW-OUCADQQQSA-N 2 0 284.448 1.532 10 0 CDAERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)Cc2ccc(OC)nc2)C1 ZINC000414065134 241050765 /nfs/dbraw/zinc/05/07/65/241050765.db2.gz GOGIZYIQHDTXPE-DZGCQCFKSA-N 2 0 277.412 1.953 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](CO)C2)[C@@H](C)C1 ZINC000414343678 241160974 /nfs/dbraw/zinc/16/09/74/241160974.db2.gz QYERZANLOLYRIL-YJNKXOJESA-N 2 0 254.418 1.857 10 0 CDAERP [NH3+]CCC1CCN(C(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000570578971 294266696 /nfs/dbraw/zinc/26/66/96/294266696.db2.gz YNRZYWMCRXZYME-GJZGRUSLSA-N 2 0 281.444 1.872 10 0 CDAERP Cc1cc(C)n2c(C[NH2+][C@@H]3CCCC[C@H]3C[NH3+])cnc2n1 ZINC000414799148 241394123 /nfs/dbraw/zinc/39/41/23/241394123.db2.gz JTABUMMXLIAOKG-DZGCQCFKSA-N 2 0 287.411 1.953 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000626979335 367122868 /nfs/dbraw/zinc/12/28/68/367122868.db2.gz ADDAXDUNZSCBPD-YNEHKIRRSA-N 2 0 284.448 1.402 10 0 CDAERP COc1cc(C)c(C[NH2+]C[C@@H]2CCC[NH2+]C2)c(C)n1 ZINC000414841940 367169663 /nfs/dbraw/zinc/16/96/63/367169663.db2.gz ZSZLJLSUMSMXLI-CYBMUJFWSA-N 2 0 263.385 1.796 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000626997050 367217792 /nfs/dbraw/zinc/21/77/92/367217792.db2.gz MSILXGAWJNPYFI-MHDGFBEUSA-N 2 0 280.416 1.051 10 0 CDAERP C[C@H]1CC[C@@H](NC(=O)NCc2ccc(C[NH3+])cc2)C[NH2+]1 ZINC000627108675 367455343 /nfs/dbraw/zinc/45/53/43/367455343.db2.gz LVUCTPGGKPLCNA-SMDDNHRTSA-N 2 0 276.384 1.085 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000627170386 367606482 /nfs/dbraw/zinc/60/64/82/367606482.db2.gz QUTDSUKUPAHYEJ-UONOGXRCSA-N 2 0 282.432 1.110 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000417005495 242261420 /nfs/dbraw/zinc/26/14/20/242261420.db2.gz ITLXEMQXXMRCKX-UKRRQHHQSA-N 2 0 292.427 1.716 10 0 CDAERP C[C@H](CNC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)C[NH+]1CCCCC1 ZINC000417191903 242350858 /nfs/dbraw/zinc/35/08/58/242350858.db2.gz MYDAULXETBXQQV-QLFBSQMISA-N 2 0 296.459 1.406 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)C1 ZINC000417236127 242375506 /nfs/dbraw/zinc/37/55/06/242375506.db2.gz DONMSNNAXBQLQS-QLFBSQMISA-N 2 0 294.443 1.112 10 0 CDAERP CCOC(=O)CN1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000282227068 367783854 /nfs/dbraw/zinc/78/38/54/367783854.db2.gz ZBKUBIMTWXOWDA-CYBMUJFWSA-N 2 0 291.395 1.962 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000627237462 367800003 /nfs/dbraw/zinc/80/00/03/367800003.db2.gz DPJBMVKUGDIDFX-QWHCGFSZSA-N 2 0 282.432 1.253 10 0 CDAERP CC[NH+](CC)CCNC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000358658396 367853402 /nfs/dbraw/zinc/85/34/02/367853402.db2.gz DXIPDPJTKPVNCR-UHFFFAOYSA-N 2 0 282.432 1.279 10 0 CDAERP C[C@H](CNC(=O)C1=CC[C@H]([NH3+])C1)C[NH+]1CCCCC1 ZINC000638077685 368106288 /nfs/dbraw/zinc/10/62/88/368106288.db2.gz VKNNYDZDIORFJR-OCCSQVGLSA-N 2 0 265.401 1.272 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000418464319 243110618 /nfs/dbraw/zinc/11/06/18/243110618.db2.gz POTOHRQUIIZJLG-TYNCELHUSA-N 2 0 290.411 1.646 10 0 CDAERP COC(=O)[C@@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C[C@H]1C ZINC000261654393 284061496 /nfs/dbraw/zinc/06/14/96/284061496.db2.gz BHFDEGAUQSCNGX-FRRDWIJNSA-N 2 0 254.374 1.117 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000418693618 243346362 /nfs/dbraw/zinc/34/63/62/243346362.db2.gz HAKFPWYGVZEQHE-RYUDHWBXSA-N 2 0 298.456 1.557 10 0 CDAERP CCCN(CC[NH+]1CCCC1)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000418736951 243391292 /nfs/dbraw/zinc/39/12/92/243391292.db2.gz YVMUSPVFEPYHQO-QWHCGFSZSA-N 2 0 270.421 1.240 10 0 CDAERP C[C@@H](NC(=O)N1CCC(CC[NH+](C)C)CC1)[C@H](C)[NH3+] ZINC000418716990 243371700 /nfs/dbraw/zinc/37/17/00/243371700.db2.gz ZZXTZQPEJMCGQL-NWDGAFQWSA-N 2 0 270.421 1.095 10 0 CDAERP COc1cc(C[NH2+][C@@H](C)CC[NH3+])cc2c1OCCO2 ZINC000414890651 369227616 /nfs/dbraw/zinc/22/76/16/369227616.db2.gz UOFUKUBQPGOLDV-JTQLQIEISA-N 2 0 266.341 1.293 10 0 CDAERP CSCC[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000368441511 369478346 /nfs/dbraw/zinc/47/83/46/369478346.db2.gz FCBWKZULEKTREF-CYBMUJFWSA-N 2 0 257.447 1.061 10 0 CDAERP c1ccc(CN2CC[C@H]([NH2+][C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000252791940 370209614 /nfs/dbraw/zinc/20/96/14/370209614.db2.gz USGYYYWBDXDWKA-IRXDYDNUSA-N 2 0 273.424 1.993 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@H]([NH3+])C2CCC2)cc1 ZINC000422541734 245102584 /nfs/dbraw/zinc/10/25/84/245102584.db2.gz OZWTVBNMQDSWQS-QMTHXVAHSA-N 2 0 261.369 1.450 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc2c(c1)nnn2C ZINC000414935150 370600119 /nfs/dbraw/zinc/60/01/19/370600119.db2.gz AODUTBLINULBKT-PWSUYJOCSA-N 2 0 259.357 1.056 10 0 CDAERP C[C@H](C[NH2+][C@@H](C1CC1)[C@@H]1CNCCO1)C[NH+]1CCCC1 ZINC000422724269 245179891 /nfs/dbraw/zinc/17/98/91/245179891.db2.gz VDNFBHUSBMVNDT-KBMXLJTQSA-N 2 0 281.444 1.075 10 0 CDAERP O=C([C@@H]1[NH2+]CCc2ccccc21)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000567454667 370995497 /nfs/dbraw/zinc/99/54/97/370995497.db2.gz REPZLWLBZPOYPQ-HLLBOEOZSA-N 2 0 299.418 1.331 10 0 CDAERP C[C@H](C[NH2+]C[C@H](O)CC1CCCC1)CN1CC[NH+](C)CC1 ZINC000566118268 370615070 /nfs/dbraw/zinc/61/50/70/370615070.db2.gz UAZSNIVQBPMSGW-NVXWUHKLSA-N 2 0 297.487 1.401 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)CN1CCC[C@H](C)C1 ZINC000422750450 245212185 /nfs/dbraw/zinc/21/21/85/245212185.db2.gz AUDBNTQZPCMXOZ-KKUMJFAQSA-N 2 0 271.449 1.450 10 0 CDAERP COC(=O)c1ccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000414964983 371102867 /nfs/dbraw/zinc/10/28/67/371102867.db2.gz VEVQONRKTKNBKC-RISCZKNCSA-N 2 0 262.353 1.561 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000422829257 245309318 /nfs/dbraw/zinc/30/93/18/245309318.db2.gz BOMUZMLSOIMMOY-HNNXBMFYSA-N 3 0 283.460 1.737 10 0 CDAERP C[NH2+]C1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000567828868 371163495 /nfs/dbraw/zinc/16/34/95/371163495.db2.gz OLGWZSQCWFQJIB-CQSZACIVSA-N 2 0 267.417 1.461 10 0 CDAERP C[C@H](NC(=O)CC[C@H]1CCCC[N@@H+]1C)[C@@H]1CCC[NH2+]C1 ZINC000567834818 371164834 /nfs/dbraw/zinc/16/48/34/371164834.db2.gz GSFKDWHBCPDIDP-RRFJBIMHSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@@H](Cn1cncn1)[NH2+]C[C@@H]1N(C)CCCC1(C)C ZINC000340498026 371169496 /nfs/dbraw/zinc/16/94/96/371169496.db2.gz IWWWEUSAJIXQBQ-KBPBESRZSA-N 2 0 279.432 1.767 10 0 CDAERP CCC[C@@H](C(=O)N1CC[C@@H]([NH+](CC)CC)C1)[NH+](C)C ZINC000123303579 371388351 /nfs/dbraw/zinc/38/83/51/371388351.db2.gz QBMLEQHYSJQPRZ-KGLIPLIRSA-N 2 0 269.433 1.659 10 0 CDAERP C[C@H](NCC[NH+]1CCCCCC1)[C@H]1CCC[NH2+]C1 ZINC000573315706 371496940 /nfs/dbraw/zinc/49/69/40/371496940.db2.gz URYMXKQTWRTNFD-GJZGRUSLSA-N 2 0 253.434 1.840 10 0 CDAERP CC(C)[C@H](C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)[NH+](C)C ZINC000378223138 371878551 /nfs/dbraw/zinc/87/85/51/371878551.db2.gz GWHQJNAGXRSUNJ-RBSFLKMASA-N 2 0 281.444 1.563 10 0 CDAERP COC1(c2nc([C@@H]([NH3+])CC(C)C)no2)CC[NH2+]CC1 ZINC000577952131 372188405 /nfs/dbraw/zinc/18/84/05/372188405.db2.gz SCPRFNLEQBUBOA-JTQLQIEISA-N 2 0 268.361 1.341 10 0 CDAERP O=C(CC[C@H]1CC[NH2+]C1)NC1CC([NH+]2CCCCC2)C1 ZINC000578130807 372302209 /nfs/dbraw/zinc/30/22/09/372302209.db2.gz GRKZFBQHDUVZOP-NFOMZHRRSA-N 2 0 279.428 1.509 10 0 CDAERP CC(C)[NH2+]CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000393928449 372308586 /nfs/dbraw/zinc/30/85/86/372308586.db2.gz LAMSHBZIHWOVBG-MRXNPFEDSA-N 2 0 289.423 1.717 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)C[N@H+](C)C(C)C)CC1 ZINC000174102405 372552666 /nfs/dbraw/zinc/55/26/66/372552666.db2.gz POADUCNCXVKSLB-UHFFFAOYSA-N 2 0 269.433 1.565 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CCC[NH+](CC)C2)C1 ZINC000193780756 372751091 /nfs/dbraw/zinc/75/10/91/372751091.db2.gz HVFBTNBSMCUXFT-HUUCEWRRSA-N 2 0 296.459 1.502 10 0 CDAERP Cc1ccsc1[C@H](CO)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000573020370 294738232 /nfs/dbraw/zinc/73/82/32/294738232.db2.gz IPJZNQCVCWGSDX-SRVKXCTJSA-N 2 0 254.399 1.949 10 0 CDAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000333392281 205281982 /nfs/dbraw/zinc/28/19/82/205281982.db2.gz OXYHWRJLNMMIOJ-BARDWOONSA-N 2 0 296.459 1.402 10 0 CDAERP C[NH2+]CCCC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000227411496 373082607 /nfs/dbraw/zinc/08/26/07/373082607.db2.gz RYEPZGJUJOBNBX-STQMWFEESA-N 2 0 253.390 1.071 10 0 CDAERP C[N@@H+]1CC[C@H](c2nc(-c3ccc(C[NH3+])cc3)no2)C1 ZINC000581666641 373160098 /nfs/dbraw/zinc/16/00/98/373160098.db2.gz RCCFCDPRMWCHAO-LBPRGKRZSA-N 2 0 258.325 1.614 10 0 CDAERP COc1ccc([C@@H](N[C@H]2CCC[NH2+]C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423304484 245724173 /nfs/dbraw/zinc/72/41/73/245724173.db2.gz OAHPBUHAWDPFTE-BHYGNILZSA-N 2 0 289.423 1.830 10 0 CDAERP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000645684593 373231413 /nfs/dbraw/zinc/23/14/13/373231413.db2.gz AMZKCDRFFMUPBO-SMDDNHRTSA-N 2 0 261.369 1.530 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2CC[NH2+]CC2)[C@H]2CCC[C@@H]21 ZINC000581997009 373473654 /nfs/dbraw/zinc/47/36/54/373473654.db2.gz CLNOMQKYDJMTDE-ILXRZTDVSA-N 3 0 251.418 1.448 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000341435498 373692281 /nfs/dbraw/zinc/69/22/81/373692281.db2.gz SIURAELHSYZRQF-RBSFLKMASA-N 2 0 298.475 1.889 10 0 CDAERP C[C@H]([NH3+])C1CC[NH+]([C@@H]2CCN(C3CCC3)C2=O)CC1 ZINC000631820996 373697485 /nfs/dbraw/zinc/69/74/85/373697485.db2.gz MFVRAAPOKIVKAE-SMDDNHRTSA-N 2 0 265.401 1.199 10 0 CDAERP C[C@H](C[C@@H]1COCC[NH2+]1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000643469282 374011464 /nfs/dbraw/zinc/01/14/64/374011464.db2.gz HCJSNCYAXYGSCG-CHWSQXEVSA-N 2 0 287.367 1.446 10 0 CDAERP C[C@@H]1CC[NH2+][C@H](C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)C1 ZINC000253153000 374195003 /nfs/dbraw/zinc/19/50/03/374195003.db2.gz KKYQXXLWZXQXFJ-RQJABVFESA-N 2 0 265.401 1.070 10 0 CDAERP CCN1C(N)=[NH+]C[C@@]12CC[N@H+](Cc1ccccc1)[C@H]2C ZINC000307669544 374299575 /nfs/dbraw/zinc/29/95/75/374299575.db2.gz SOOHVWWHTPEYTM-XJKSGUPXSA-N 2 0 272.396 1.670 10 0 CDAERP CC[NH+](CC)CCCNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113577612 374513049 /nfs/dbraw/zinc/51/30/49/374513049.db2.gz DCIIYVDJLCFIAY-LSDHHAIUSA-N 2 0 296.459 1.596 10 0 CDAERP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CCC[NH3+] ZINC000037713255 374596095 /nfs/dbraw/zinc/59/60/95/374596095.db2.gz JUAPYABWZIXXKE-NSHDSACASA-N 2 0 250.342 1.675 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N[C@H]1C[NH+](C(C)C)C[C@@H]1C ZINC000123700947 374710559 /nfs/dbraw/zinc/71/05/59/374710559.db2.gz VYJINJHIJQJWOE-GJZGRUSLSA-N 2 0 298.475 1.746 10 0 CDAERP Cc1cc(C)n(CCC[NH2+][C@H]2CCC[NH2+]CC2)n1 ZINC000126414636 374999540 /nfs/dbraw/zinc/99/95/40/374999540.db2.gz XNYFMMKTAQSIFZ-AWEZNQCLSA-N 2 0 250.390 1.622 10 0 CDAERP CC[N@@H+]1CC[C@H](CN[C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000127948998 375091913 /nfs/dbraw/zinc/09/19/13/375091913.db2.gz ALXGZRFIVIYLRC-RBSFLKMASA-N 3 0 251.418 1.545 10 0 CDAERP OC1(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CCOCC1 ZINC000131322600 375404368 /nfs/dbraw/zinc/40/43/68/375404368.db2.gz SKBLBTXJSQTARN-OAHLLOKOSA-N 2 0 282.428 1.478 10 0 CDAERP C[C@@H]1C[NH+]=C(N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)N1 ZINC000306497571 375759577 /nfs/dbraw/zinc/75/95/77/375759577.db2.gz BGXVUMZVFMSCKH-HUUCEWRRSA-N 2 0 286.423 1.788 10 0 CDAERP c1ccc(C[N@@H+]2CC[C@@H]3CN([C@H]4CC[NH2+]C4)C[C@H]3C2)cc1 ZINC000307303209 375829211 /nfs/dbraw/zinc/82/92/11/375829211.db2.gz FRRILWLMVNOTEQ-KURKYZTESA-N 2 0 285.435 1.802 10 0 CDAERP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H]2CCCO2)cc1 ZINC000032125587 375890553 /nfs/dbraw/zinc/89/05/53/375890553.db2.gz ZVIYTQNWVQCVCV-INIZCTEOSA-N 2 0 278.396 1.896 10 0 CDAERP c1nc2n(n1)[C@@H](C[NH+]1CCC([C@@H]3CCC[NH2+]3)CC1)CC2 ZINC000631827845 376663118 /nfs/dbraw/zinc/66/31/18/376663118.db2.gz XVMMFRTWJBNTDA-KGLIPLIRSA-N 2 0 275.400 1.229 10 0 CDAERP CCN(CCC[NH+](CC)CC)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000418712542 284586921 /nfs/dbraw/zinc/58/69/21/284586921.db2.gz XIJGPEKQSJSOPN-QWHCGFSZSA-N 2 0 272.437 1.486 10 0 CDAERP C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2F)C[C@H]1C[NH3+] ZINC000631840828 376692977 /nfs/dbraw/zinc/69/29/77/376692977.db2.gz FTLBXIQJUGQPBO-NWDGAFQWSA-N 2 0 279.359 1.681 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000247168090 377064929 /nfs/dbraw/zinc/06/49/29/377064929.db2.gz VEBPBFTTYRXSBO-QLFBSQMISA-N 2 0 298.475 1.889 10 0 CDAERP OCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000247997083 377192895 /nfs/dbraw/zinc/19/28/95/377192895.db2.gz JXWXYBFTGAYSRJ-DLBZAZTESA-N 2 0 274.408 1.965 10 0 CDAERP CC[N@H+](CCNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)C(C)C ZINC000417468425 377372767 /nfs/dbraw/zinc/37/27/67/377372767.db2.gz XXCMOYFUCWUVSW-CHWSQXEVSA-N 2 0 270.421 1.014 10 0 CDAERP COc1ccsc1CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000334765010 377484832 /nfs/dbraw/zinc/48/48/32/377484832.db2.gz IBFMKRDBHYGWEC-WDEREUQCSA-N 2 0 252.383 1.941 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000091545133 377895127 /nfs/dbraw/zinc/89/51/27/377895127.db2.gz MDGTXYFDGCWWAR-NWDGAFQWSA-N 2 0 253.390 1.104 10 0 CDAERP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261751940 377896808 /nfs/dbraw/zinc/89/68/08/377896808.db2.gz JAELSRCRKDVUCA-XUWVNRHRSA-N 2 0 293.455 1.742 10 0 CDAERP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C1CC[NH2+]CC1 ZINC000094440122 378144686 /nfs/dbraw/zinc/14/46/86/378144686.db2.gz WIZKGRFRFHGVNU-GXTWGEPZSA-N 2 0 265.401 1.071 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425542308 378216738 /nfs/dbraw/zinc/21/67/38/378216738.db2.gz HBWYRLWZRXXRDH-QWHCGFSZSA-N 2 0 263.389 1.468 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001662387491 1172540526 /nfs/dbraw/zinc/54/05/26/1172540526.db2.gz FMRJDVFLWREQIT-CHWSQXEVSA-N 2 0 267.417 1.223 10 0 CDAERP COC1(C[C@@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)CCC1 ZINC000429435489 284733143 /nfs/dbraw/zinc/73/31/43/284733143.db2.gz JLMYDSGTDGCWDZ-JKSUJKDBSA-N 2 0 297.487 1.950 10 0 CDAERP COC1(C[C@@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)CCC1 ZINC000429517637 284733189 /nfs/dbraw/zinc/73/31/89/284733189.db2.gz KPIZVHLFHURWAK-CABCVRRESA-N 2 0 283.460 1.560 10 0 CDAERP CCN(C(=O)N[C@H](C)C[NH+](CC)CC)[C@@H]1CC[N@H+](CC)C1 ZINC000663830785 412899902 /nfs/dbraw/zinc/89/99/02/412899902.db2.gz NYDZMYBJXISJPZ-HUUCEWRRSA-N 2 0 298.475 1.842 10 0 CDAERP C[NH+](C)CCC[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000662327829 412900174 /nfs/dbraw/zinc/90/01/74/412900174.db2.gz WLPCCOKHXNTKFR-MRXNPFEDSA-N 3 0 283.460 1.419 10 0 CDAERP CCN1CCN(C(=O)[C@@H](C)[N@H+](C)C[C@H]2CC=CCC2)CC1 ZINC000344094660 379159730 /nfs/dbraw/zinc/15/97/30/379159730.db2.gz VZPKSLKRSRVQQB-CVEARBPZSA-N 2 0 293.455 1.827 10 0 CDAERP CC(C)[C@@H]([NH2+]CCOCC[NH+](C)C)c1cccnc1 ZINC000447590911 250392214 /nfs/dbraw/zinc/39/22/14/250392214.db2.gz GEDYFPHKKXFHAK-OAHLLOKOSA-N 2 0 265.401 1.947 10 0 CDAERP CC[C@]1(C)CC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000344220944 379331284 /nfs/dbraw/zinc/33/12/84/379331284.db2.gz CVSGGDYIZHVLOM-QGZVFWFLSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657598110 412928939 /nfs/dbraw/zinc/92/89/39/412928939.db2.gz YIHGIVKGWYCBBG-RRQGHBQHSA-N 2 0 290.407 1.520 10 0 CDAERP CC(C)CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001662685355 1172580499 /nfs/dbraw/zinc/58/04/99/1172580499.db2.gz HZCOEABGDCUMCN-HOTGVXAUSA-N 2 0 295.471 1.812 10 0 CDAERP C[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH+]2CCCO)[C@@H]2CCC[C@H]21 ZINC000453266938 252292006 /nfs/dbraw/zinc/29/20/06/252292006.db2.gz OUZBFGDRDDEXAZ-LUKYLMHMSA-N 2 0 295.471 1.296 10 0 CDAERP C[C@@H](NC(=O)N1CC[C@H]([NH3+])[C@@H]1C)C(C)(C)C[NH+](C)C ZINC000417853603 533137230 /nfs/dbraw/zinc/13/72/30/533137230.db2.gz IIDLJDIDHODRFA-TUAOUCFPSA-N 2 0 270.421 1.094 10 0 CDAERP COCCN1CC[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C1 ZINC000657812449 413041317 /nfs/dbraw/zinc/04/13/17/413041317.db2.gz CDFHPPQZANHRTB-QGZVFWFLSA-N 2 0 295.471 1.419 10 0 CDAERP O[C@@]1(C(F)(F)F)CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420296058 285343954 /nfs/dbraw/zinc/34/39/54/285343954.db2.gz CYDSSSYVEHDCHP-QWRGUYRKSA-N 2 0 266.307 1.375 10 0 CDAERP O=C(CNc1cc[nH+]c2ccccc12)N1CC[NH2+]CC1 ZINC000048701949 390675062 /nfs/dbraw/zinc/67/50/62/390675062.db2.gz ZCPHBDXMAIXYOH-UHFFFAOYSA-N 2 0 270.336 1.079 10 0 CDAERP C[C@@H](Cc1ccoc1)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000449223695 390813553 /nfs/dbraw/zinc/81/35/53/390813553.db2.gz YJVVGHTVHIGFSP-AWEZNQCLSA-N 2 0 265.401 1.438 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)[C@@H](C)[NH3+])[C@@H](C)C1 ZINC000249119048 285393986 /nfs/dbraw/zinc/39/39/86/285393986.db2.gz WQYKZBVXKYKHPF-LOWDOPEQSA-N 2 0 255.406 1.158 10 0 CDAERP C[C@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1cccnc1 ZINC000531118854 390916579 /nfs/dbraw/zinc/91/65/79/390916579.db2.gz KJDYIQJLEZXTRR-AWEZNQCLSA-N 2 0 292.427 1.137 10 0 CDAERP CC(C)(C)[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000155476695 390919163 /nfs/dbraw/zinc/91/91/63/390919163.db2.gz UOCKHLHYAWLRTK-AWEZNQCLSA-N 2 0 297.443 1.134 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N[C@H](C)CCC[NH3+])CC1 ZINC000417753678 391028234 /nfs/dbraw/zinc/02/82/34/391028234.db2.gz UNGQNRKKDQMUFK-CYBMUJFWSA-N 2 0 284.448 1.535 10 0 CDAERP CN(C)C(=O)C1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000647872642 391121019 /nfs/dbraw/zinc/12/10/19/391121019.db2.gz MGDVFUWFMNJWRL-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)[C@@H](C)NC(=O)C1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000647883367 391141062 /nfs/dbraw/zinc/14/10/62/391141062.db2.gz JWUFBGFGAGYAGB-ZIAGYGMSSA-N 2 0 281.444 1.469 10 0 CDAERP FC1(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC000526969476 391239332 /nfs/dbraw/zinc/23/93/32/391239332.db2.gz YACOZJKRXPEQHH-UHFFFAOYSA-N 2 0 256.365 1.533 10 0 CDAERP CC[NH+]1CCN(C[C@@H](C)C[NH2+]CC2(F)CC2)CC1 ZINC000527031672 391252426 /nfs/dbraw/zinc/25/24/26/391252426.db2.gz SBDKLLUASOWBPN-ZDUSSCGKSA-N 2 0 257.397 1.352 10 0 CDAERP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)C(C)(C)C)CC[C@H]21 ZINC000167627539 391215371 /nfs/dbraw/zinc/21/53/71/391215371.db2.gz XAHRWOFQEHTWDH-MGPQQGTHSA-N 2 0 254.418 1.810 10 0 CDAERP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCCC[NH3+])C1 ZINC000418314233 391302073 /nfs/dbraw/zinc/30/20/73/391302073.db2.gz RWFQBGJXOXZIDR-LSDHHAIUSA-N 2 0 296.459 1.631 10 0 CDAERP CN(C(=O)NCCC[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418352226 391364523 /nfs/dbraw/zinc/36/45/23/391364523.db2.gz MMTCQZAUEAYIQK-OAHLLOKOSA-N 2 0 290.411 1.251 10 0 CDAERP C[NH+](C)C1(CNC(=O)NC[C@@H]([NH3+])c2ccccc2)CCC1 ZINC000418059113 391373515 /nfs/dbraw/zinc/37/35/15/391373515.db2.gz MKZOAPQNYGWTQW-CQSZACIVSA-N 2 0 290.411 1.470 10 0 CDAERP CC[C@H](O)CCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353629875 391398221 /nfs/dbraw/zinc/39/82/21/391398221.db2.gz GLFIYUVZCRHQNA-XQLPTFJDSA-N 2 0 254.418 2.000 10 0 CDAERP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CC1=O ZINC000353621336 391398233 /nfs/dbraw/zinc/39/82/33/391398233.db2.gz MBQKGRVVUCDJGR-SJJUBHFPSA-N 2 0 291.439 1.458 10 0 CDAERP CCCC1CCC(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000263194515 391472919 /nfs/dbraw/zinc/47/29/19/391472919.db2.gz IFVMKNCRTCOQBZ-CVSAEHQPSA-N 2 0 254.418 1.763 10 0 CDAERP CS[C@@H]1CC[C@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000425350991 391474968 /nfs/dbraw/zinc/47/49/68/391474968.db2.gz LVOHNWHAPWZPLW-CHWSQXEVSA-N 2 0 257.447 1.108 10 0 CDAERP CS[C@@H]1CC[C@H]1[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000425353583 391483173 /nfs/dbraw/zinc/48/31/73/391483173.db2.gz ITSKWZGHRDJALG-QLFBSQMISA-N 2 0 285.501 1.742 10 0 CDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCOCC2CC2)CC1 ZINC000172791962 533662745 /nfs/dbraw/zinc/66/27/45/533662745.db2.gz UYPLDRWVDUWABK-CQSZACIVSA-N 2 0 284.444 1.438 10 0 CDAERP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000417554502 391655722 /nfs/dbraw/zinc/65/57/22/391655722.db2.gz JTEMJDWHJBMNRK-BFHYXJOUSA-N 2 0 284.448 1.676 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417611971 391700990 /nfs/dbraw/zinc/70/09/90/391700990.db2.gz QNNVSIFGKPQTHP-GASCZTMLSA-N 2 0 296.459 1.359 10 0 CDAERP C[C@@H](NCc1cnn(Cc2ccc(F)cc2)c1)[C@H](C)[NH3+] ZINC000415014603 391724464 /nfs/dbraw/zinc/72/44/64/391724464.db2.gz LSHVKJXVYDQZKU-NWDGAFQWSA-N 2 0 276.359 1.896 10 0 CDAERP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000415025360 391728539 /nfs/dbraw/zinc/72/85/39/391728539.db2.gz QSHVIFNCPQHPLK-JTQLQIEISA-N 2 0 279.409 1.817 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)CCC(C)(C)[NH3+])cc1 ZINC000647853613 391861491 /nfs/dbraw/zinc/86/14/91/391861491.db2.gz HGLQSLNMFGCGQN-NSHDSACASA-N 2 0 263.385 1.840 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)CCC(=O)N2)[C@H]2CCC[C@@H]21 ZINC000453403935 392032560 /nfs/dbraw/zinc/03/25/60/392032560.db2.gz DHDFWMAXQIZFRS-OSFYFWSMSA-N 2 0 265.401 1.118 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000345269826 392135463 /nfs/dbraw/zinc/13/54/63/392135463.db2.gz GWDVSOLJRHIXCQ-MCIONIFRSA-N 2 0 267.417 1.460 10 0 CDAERP c1csc(C2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)n1 ZINC000649412008 392196120 /nfs/dbraw/zinc/19/61/20/392196120.db2.gz CBCIYIDXJVMUSU-NSHDSACASA-N 2 0 251.399 1.932 10 0 CDAERP COCC[N@@H+]1CCC[C@@H]1CN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000422712779 392251816 /nfs/dbraw/zinc/25/18/16/392251816.db2.gz ORMPNXUSPRSVFI-IXDOHACOSA-N 2 0 297.487 1.998 10 0 CDAERP CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423101399 392344836 /nfs/dbraw/zinc/34/48/36/392344836.db2.gz IPSLUGPIGZPXBH-NWINJMCUSA-N 2 0 272.433 1.252 10 0 CDAERP CN(C(=O)N[C@H]1CC[NH2+]C12CCC2)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000529362787 392362470 /nfs/dbraw/zinc/36/24/70/392362470.db2.gz UKOJCNXSIPODKK-KBPBESRZSA-N 2 0 292.427 1.149 10 0 CDAERP C[C@H](C[NH+]1CC[C@H](CO)[C@H]1C)C[N@@H+]1CC[C@H](CO)[C@@H]1C ZINC000488738909 392409787 /nfs/dbraw/zinc/40/97/87/392409787.db2.gz VFPMNBRSNPRQCA-IBEHDNSVSA-N 2 0 284.444 1.028 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]([NH+](C)C)CC2)C1 ZINC000568204431 392404429 /nfs/dbraw/zinc/40/44/29/392404429.db2.gz JRVJBBDPGZVVQE-KBPBESRZSA-N 2 0 267.417 1.271 10 0 CDAERP C[NH+](C)C(C)(C)CNC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000646394498 392408267 /nfs/dbraw/zinc/40/82/67/392408267.db2.gz WMOCHKWHPFACBU-QWHCGFSZSA-N 2 0 269.433 1.741 10 0 CDAERP C[C@H](CC(=O)NCCc1ccccc1)[NH2+]CCC[NH3+] ZINC000437807172 392493891 /nfs/dbraw/zinc/49/38/91/392493891.db2.gz YYGHYJVHKOMZGN-CYBMUJFWSA-N 2 0 263.385 1.062 10 0 CDAERP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C)[C@H]1C ZINC000423403423 392554969 /nfs/dbraw/zinc/55/49/69/392554969.db2.gz SGEFHUTYVDCGHL-HTOAHKCRSA-N 2 0 268.401 1.552 10 0 CDAERP CC(C)[C@H](Cn1cccn1)[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000423397886 392550705 /nfs/dbraw/zinc/55/07/05/392550705.db2.gz ONVDXOFHSYPPEW-MCIONIFRSA-N 2 0 250.390 1.495 10 0 CDAERP COC[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268872524 132081082 /nfs/dbraw/zinc/08/10/82/132081082.db2.gz GLJANBQOMIUQIN-OIISXLGYSA-N 2 0 292.423 1.494 10 0 CDAERP CCO[C@H]1C[C@H]([NH2+]CCC[NH+](C)C)C12CCOCC2 ZINC000186200294 392986696 /nfs/dbraw/zinc/98/66/96/392986696.db2.gz JBJUWPXJZBFSHC-KBPBESRZSA-N 2 0 270.417 1.502 10 0 CDAERP CCC[C@@H](C)[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000187682471 393000073 /nfs/dbraw/zinc/00/00/73/393000073.db2.gz BKKWNJWPYMYJOT-SJORKVTESA-N 2 0 297.487 1.902 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C[C@H](O)CC(F)(F)F)C1 ZINC000189499931 393079605 /nfs/dbraw/zinc/07/96/05/393079605.db2.gz DMMIIQIAIWDKTD-NWDGAFQWSA-N 2 0 282.350 1.963 10 0 CDAERP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1C ZINC000648780043 393334379 /nfs/dbraw/zinc/33/43/79/393334379.db2.gz QUYOZOHGRURJHP-KWCYVHTRSA-N 2 0 265.401 1.022 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648750943 393266146 /nfs/dbraw/zinc/26/61/46/393266146.db2.gz NBMYKKSSNWVWSI-HZSPNIEDSA-N 2 0 269.433 1.419 10 0 CDAERP COc1cc(C[NH2+][C@H]2CCCN(CCO)C2)ccc1Cl ZINC000649290887 393369804 /nfs/dbraw/zinc/36/98/04/393369804.db2.gz XTPVPFFXPZTMIJ-ZDUSSCGKSA-N 2 0 298.814 1.895 10 0 CDAERP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1COC2(CCC2)C1 ZINC000657878659 413068938 /nfs/dbraw/zinc/06/89/38/413068938.db2.gz HNJBUVNHYVJBJE-HUUCEWRRSA-N 2 0 282.428 1.525 10 0 CDAERP Cc1ccc(C[N@H+](C)CCCN2CC[NH+](C)CC2)c(C)n1 ZINC000187367039 140078169 /nfs/dbraw/zinc/07/81/69/140078169.db2.gz XHYJTNJRTCDEQV-UHFFFAOYSA-N 2 0 290.455 1.768 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]2CN(CC(=O)Nc3ccccc3F)C[C@@H]21 ZINC000230048525 140207112 /nfs/dbraw/zinc/20/71/12/140207112.db2.gz VZTOEBSSCSYBFS-MBNYWOFBSA-N 2 0 291.370 1.823 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000234797657 140232154 /nfs/dbraw/zinc/23/21/54/140232154.db2.gz BRHMLRHOTJGRIY-ZDUSSCGKSA-N 2 0 280.368 1.301 10 0 CDAERP C[C@H](C(=O)N1CCC[N@@H+](C2CC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000245200831 140264158 /nfs/dbraw/zinc/26/41/58/140264158.db2.gz CZHPXKIZDKRLDC-RBSFLKMASA-N 2 0 293.455 1.944 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000261569337 140350550 /nfs/dbraw/zinc/35/05/50/140350550.db2.gz MNTJULFXUQYHFC-CHWSQXEVSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)[C@H](C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)[NH+](C)C ZINC000261668139 140372341 /nfs/dbraw/zinc/37/23/41/140372341.db2.gz COHSHVRIKRRQRL-HZSPNIEDSA-N 2 0 267.417 1.031 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)CC[C@@H]2CC[NH2+]C2)CC1 ZINC000261769307 140386538 /nfs/dbraw/zinc/38/65/38/140386538.db2.gz IQUFDNXCINOEDB-CQSZACIVSA-N 2 0 281.444 1.614 10 0 CDAERP C[C@@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])C(C)(C)C[NH+](C)C ZINC000261850491 140398907 /nfs/dbraw/zinc/39/89/07/140398907.db2.gz VTOLLGXLXJCIDU-JHJVBQTASA-N 2 0 269.433 1.454 10 0 CDAERP COC[C@@H](CC1CCOCC1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000657939036 413100108 /nfs/dbraw/zinc/10/01/08/413100108.db2.gz TZFKTVXHQDQDMJ-MRXNPFEDSA-N 2 0 282.428 1.670 10 0 CDAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCCSCC1 ZINC000657975960 413117336 /nfs/dbraw/zinc/11/73/36/413117336.db2.gz ITTOAPHRYUSXJQ-CABCVRRESA-N 2 0 285.501 1.888 10 0 CDAERP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)[C@@H]1CCOC1 ZINC000658073600 413173633 /nfs/dbraw/zinc/17/36/33/413173633.db2.gz YGNIRSCQZIWAFP-YIDVYQOGSA-N 2 0 282.428 1.500 10 0 CDAERP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000390789856 397981273 /nfs/dbraw/zinc/98/12/73/397981273.db2.gz VRCNOYJYEUXODZ-HOTGVXAUSA-N 2 0 287.407 1.234 10 0 CDAERP CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000037826027 398112462 /nfs/dbraw/zinc/11/24/62/398112462.db2.gz FIVAVFAESUVZHI-UKRRQHHQSA-N 2 0 283.460 1.939 10 0 CDAERP C[C@H]([NH2+][C@@H]1C[C@H](C)n2ncnc21)C1CC[NH+](C)CC1 ZINC000658097508 413195354 /nfs/dbraw/zinc/19/53/54/413195354.db2.gz IMJPZLHKDYSZCW-GMXVVIOVSA-N 2 0 263.389 1.604 10 0 CDAERP COCC[C@@H]1CCCC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000660294201 413201647 /nfs/dbraw/zinc/20/16/47/413201647.db2.gz WPVCPHPYSVQNGD-JKSUJKDBSA-N 2 0 286.460 1.826 10 0 CDAERP C[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1C)[NH+]1CCC(C)CC1 ZINC000102000357 147144302 /nfs/dbraw/zinc/14/43/02/147144302.db2.gz XPCHVBWXYOCXLI-CABCVRRESA-N 2 0 296.459 1.500 10 0 CDAERP CC[NH+](CC)CC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000104405306 147193805 /nfs/dbraw/zinc/19/38/05/147193805.db2.gz YSAATQPKEKCGNE-UHFFFAOYSA-N 2 0 267.417 1.415 10 0 CDAERP CCC[C@](C)([NH3+])C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000262173961 149028866 /nfs/dbraw/zinc/02/88/66/149028866.db2.gz XTOXUENMNTWOMA-BBRMVZONSA-N 2 0 297.443 1.216 10 0 CDAERP CCn1nc(C)c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1C ZINC000307977205 149185106 /nfs/dbraw/zinc/18/51/06/149185106.db2.gz XQTMKHKGBWYBHL-GASCZTMLSA-N 2 0 276.428 1.951 10 0 CDAERP CCC[NH+]1CCC([NH2+][C@H](CCOC)COC)CC1 ZINC000310894148 149204315 /nfs/dbraw/zinc/20/43/15/149204315.db2.gz ZTOCGYNOMPKLAN-CQSZACIVSA-N 2 0 258.406 1.502 10 0 CDAERP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NCC1([NH3+])CCC1 ZINC000335120508 150308026 /nfs/dbraw/zinc/30/80/26/150308026.db2.gz IPELKAHTBMKMMW-NWDGAFQWSA-N 2 0 253.390 1.282 10 0 CDAERP O[C@@H]1CCC[N@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000335148271 150339261 /nfs/dbraw/zinc/33/92/61/150339261.db2.gz NYGKNOPDQUYNPN-GFCCVEGCSA-N 2 0 263.366 1.891 10 0 CDAERP Cn1ccnc1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000335803262 151033354 /nfs/dbraw/zinc/03/33/54/151033354.db2.gz ZZGCIZPADHCRGR-CQSZACIVSA-N 2 0 262.401 1.584 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000335989627 151177828 /nfs/dbraw/zinc/17/78/28/151177828.db2.gz JNNGETPJRYWFHB-ZBFHGGJFSA-N 2 0 279.428 1.463 10 0 CDAERP C[C@H](C(=O)NC1CCCCC1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000336129462 151294409 /nfs/dbraw/zinc/29/44/09/151294409.db2.gz MWDCRDDMSDVNNU-CQSZACIVSA-N 2 0 293.455 1.899 10 0 CDAERP COCC1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CC[NH2+]CC1 ZINC000423396225 292247519 /nfs/dbraw/zinc/24/75/19/292247519.db2.gz AYFPIOITDYLHDZ-ARFHVFGLSA-N 3 0 295.471 1.465 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1COc2ccccc2O1 ZINC000336819340 151724452 /nfs/dbraw/zinc/72/44/52/151724452.db2.gz ZISIWIIYIBTSEO-OLZOCXBDSA-N 2 0 264.369 1.934 10 0 CDAERP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@H](CO)Cc1ccccc1 ZINC000343668767 152261553 /nfs/dbraw/zinc/26/15/53/152261553.db2.gz PUDUEJLRWJDTTC-BMFZPTHFSA-N 2 0 262.397 1.377 10 0 CDAERP [NH3+]C1(CC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000662679552 413298418 /nfs/dbraw/zinc/29/84/18/413298418.db2.gz ADZYQHNYZCOVHO-OAHLLOKOSA-N 2 0 287.407 1.821 10 0 CDAERP C[C@@H]1COCC[C@@H]1[NH2+]CCC[NH2+][C@H]1CCOC[C@H]1C ZINC000433155832 297139213 /nfs/dbraw/zinc/13/92/13/297139213.db2.gz ZKIJNMOROGGFNT-KBXIAJHMSA-N 2 0 270.417 1.406 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000355598063 157136580 /nfs/dbraw/zinc/13/65/80/157136580.db2.gz OJTAOUUPZYAWSV-UHFFFAOYSA-N 2 0 281.444 1.663 10 0 CDAERP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)C1([NH2+]C2CC2)CCC1 ZINC000662720151 413378017 /nfs/dbraw/zinc/37/80/17/413378017.db2.gz UGGLZYHCGMUXGS-AWEZNQCLSA-N 2 0 277.412 1.262 10 0 CDAERP COc1cccc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC000361917933 159017240 /nfs/dbraw/zinc/01/72/40/159017240.db2.gz BVHVXZOSAQZJAJ-KCQAQPDRSA-N 2 0 277.412 1.951 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000662730561 413396165 /nfs/dbraw/zinc/39/61/65/413396165.db2.gz JDLULBRHAWUPOJ-YUELXQCFSA-N 2 0 277.412 1.812 10 0 CDAERP O=C(c1cccc2c1C[NH2+]C2)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000662755608 413436640 /nfs/dbraw/zinc/43/66/40/413436640.db2.gz DJIKYQKIQLSCAT-CYBMUJFWSA-N 2 0 271.364 1.256 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662754438 413438421 /nfs/dbraw/zinc/43/84/21/413438421.db2.gz NPWYMBSODKGMHW-BXUZGUMPSA-N 2 0 277.412 1.260 10 0 CDAERP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H](C)[C@H](C)[NH3+])C1 ZINC000417592113 287052752 /nfs/dbraw/zinc/05/27/52/287052752.db2.gz XTWFMYUJNBUAJY-BFHYXJOUSA-N 2 0 298.475 1.922 10 0 CDAERP C[NH+](C)CCCCNC(=O)c1ccc2c[nH+]cn2c1 ZINC000284500916 196070837 /nfs/dbraw/zinc/07/08/37/196070837.db2.gz ZCXOTJOBRVZFTE-UHFFFAOYSA-N 2 0 260.341 1.406 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@H]1CC[C@H](C)[NH2+]C1 ZINC000019513844 170821552 /nfs/dbraw/zinc/82/15/52/170821552.db2.gz MFQISPSMFIHLHO-STQMWFEESA-N 2 0 255.406 1.223 10 0 CDAERP CC(C)C[NH+]1CCN([C@H](C[NH3+])c2ccccc2)CC1 ZINC000020179399 171044370 /nfs/dbraw/zinc/04/43/70/171044370.db2.gz JIRUHEAMPBQHMB-MRXNPFEDSA-N 2 0 261.413 1.960 10 0 CDAERP CSc1ccc([C@H](C[NH3+])N2CC[NH+](C)CC2)cc1 ZINC000020362568 171161739 /nfs/dbraw/zinc/16/17/39/171161739.db2.gz SEMJZAGDPIYBPE-AWEZNQCLSA-N 2 0 265.426 1.656 10 0 CDAERP [NH3+]CC1(CCNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000653215399 412143150 /nfs/dbraw/zinc/14/31/50/412143150.db2.gz SYLDWVQHBHWXLM-AGIUHOORSA-N 2 0 265.401 1.152 10 0 CDAERP C[C@@H](CC(=O)NCCC1(C[NH3+])CC1)[C@H]1CCC[NH2+]C1 ZINC000653216223 412143178 /nfs/dbraw/zinc/14/31/78/412143178.db2.gz STJOSUIOAOEZBC-STQMWFEESA-N 2 0 267.417 1.257 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000653214207 412141425 /nfs/dbraw/zinc/14/14/25/412141425.db2.gz LGWSCYSYJJBIGF-OAHLLOKOSA-N 2 0 275.396 1.507 10 0 CDAERP CCC[NH+]1CCN([C@@H]2C[C@@H](CC)CC[C@@H]2[NH3+])CC1 ZINC000023068575 171409665 /nfs/dbraw/zinc/40/96/65/171409665.db2.gz FIWACAXTQHFSQB-SOUVJXGZSA-N 2 0 253.434 1.920 10 0 CDAERP C[C@@H](C(=O)N1CC2CCC1(C[NH3+])CC2)[NH+]1CCCCCC1 ZINC000653169492 412105700 /nfs/dbraw/zinc/10/57/00/412105700.db2.gz KWTCAXIAEGTHGA-UQPPLGOBSA-N 2 0 293.455 1.981 10 0 CDAERP CCO[C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@H]1C[NH3+] ZINC000653247544 412175371 /nfs/dbraw/zinc/17/53/71/412175371.db2.gz HLZRLLVODSDENF-RRFJBIMHSA-N 2 0 297.443 1.073 10 0 CDAERP CC(C)(C(=O)NCCC1(C[NH3+])CC1)[C@H]([NH3+])c1ccccc1 ZINC000653222669 412147483 /nfs/dbraw/zinc/14/74/83/412147483.db2.gz KWDRHVCGYMBTFG-CQSZACIVSA-N 2 0 289.423 1.958 10 0 CDAERP CCO[C@@H]1CN(C(=O)[C@H]2CCCCCC[C@@H]2[NH3+])C[C@H]1C[NH3+] ZINC000653243976 412161268 /nfs/dbraw/zinc/16/12/68/412161268.db2.gz SXBZHQCFMWIKGY-CBBWQLFWSA-N 2 0 297.443 1.106 10 0 CDAERP CC(C)([NH3+])c1cc(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)on1 ZINC000662820341 413543531 /nfs/dbraw/zinc/54/35/31/413543531.db2.gz KBZBJQHEQZDPNP-SNVBAGLBSA-N 2 0 292.383 1.273 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C2CCC([NH3+])CC2)C1 ZINC000662851790 413607645 /nfs/dbraw/zinc/60/76/45/413607645.db2.gz FBULZRQPVJQSOM-WXRRBKDZSA-N 2 0 267.417 1.493 10 0 CDAERP CC(C)[NH2+]CC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000659286863 413679702 /nfs/dbraw/zinc/67/97/02/413679702.db2.gz GROYVDDHZBYIIS-UHFFFAOYSA-N 2 0 259.313 1.204 10 0 CDAERP CN(CC1C[NH+](C)C1)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000661073398 413760684 /nfs/dbraw/zinc/76/06/84/413760684.db2.gz MVHYABXCTRSORK-UHFFFAOYSA-N 2 0 294.443 1.064 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407271342 413915475 /nfs/dbraw/zinc/91/54/75/413915475.db2.gz PMKCZKJPDNHYBP-YUTCNCBUSA-N 2 0 267.417 1.364 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1)[N@H+](C)C1CC1 ZINC000407400870 413951332 /nfs/dbraw/zinc/95/13/32/413951332.db2.gz DTYBTCUBEPBAOO-LERXQTSPSA-N 2 0 265.401 1.116 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000659545006 413952081 /nfs/dbraw/zinc/95/20/81/413952081.db2.gz YNVBMFRAGXMRAK-MGPQQGTHSA-N 2 0 284.448 1.424 10 0 CDAERP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@H](C)c1nccn1C ZINC000661206337 413888307 /nfs/dbraw/zinc/88/83/07/413888307.db2.gz QYGZNYLFPFWTKQ-VXGBXAGGSA-N 2 0 281.404 1.509 10 0 CDAERP Cc1cncc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)n1 ZINC000665274866 414007784 /nfs/dbraw/zinc/00/77/84/414007784.db2.gz ZTZNKFLGRBKPEC-ARFHVFGLSA-N 2 0 274.412 1.838 10 0 CDAERP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)[C@@H]1CCOC1 ZINC000665234618 413959831 /nfs/dbraw/zinc/95/98/31/413959831.db2.gz HFKZQCNUKVETIQ-IBEHDNSVSA-N 2 0 282.428 1.548 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1)C1CC1 ZINC000407431976 413963723 /nfs/dbraw/zinc/96/37/23/413963723.db2.gz POAGERFXEDVLHP-KBPBESRZSA-N 2 0 265.401 1.118 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCc1cnccc1C ZINC000665238926 413967845 /nfs/dbraw/zinc/96/78/45/413967845.db2.gz HRYZSBYXFSDQFE-CQSZACIVSA-N 2 0 251.374 1.276 10 0 CDAERP C[C@]1(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CC1(F)F ZINC000665267412 414000530 /nfs/dbraw/zinc/00/05/30/414000530.db2.gz WGOSVCNXEYKAGN-FDYHWXHSSA-N 2 0 274.355 1.778 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000659618457 414026926 /nfs/dbraw/zinc/02/69/26/414026926.db2.gz BTPANAWPHJGVSZ-KFWWJZLASA-N 2 0 296.459 1.628 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)NCC[C@@H]([NH3+])C(C)C)C1 ZINC000659624874 414036535 /nfs/dbraw/zinc/03/65/35/414036535.db2.gz ZRFPGQXXTRJMDF-ZIAGYGMSSA-N 2 0 284.448 1.486 10 0 CDAERP CCN(C)C(=O)C[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC000037223276 173044113 /nfs/dbraw/zinc/04/41/13/173044113.db2.gz PRKKMJSRHCXEFR-ZDUSSCGKSA-N 2 0 257.422 1.565 10 0 CDAERP CCCN(C(=O)CN1CC(C)(C)C1)[C@H]1CC[N@H+](C)C1 ZINC000655157691 414126019 /nfs/dbraw/zinc/12/60/19/414126019.db2.gz ICHKUQQYZNLGJL-ZDUSSCGKSA-N 2 0 267.417 1.271 10 0 CDAERP COC[C@H](C[N@@H+]1CCC[C@H](n2ccnc2)C1)OC ZINC000659883523 414221680 /nfs/dbraw/zinc/22/16/80/414221680.db2.gz VMHFMMJDPZRAIX-STQMWFEESA-N 2 0 253.346 1.181 10 0 CDAERP c1cc(C[NH2+][C@@H]2CCc3n[nH]cc3C2)n(-c2cc[nH+]cc2)n1 ZINC000657368757 414234843 /nfs/dbraw/zinc/23/48/43/414234843.db2.gz TUSZEYQGVCULRR-CYBMUJFWSA-N 2 0 294.362 1.638 10 0 CDAERP CCN(C(=O)NC1CC[NH+](C)CC1)[C@H]1CC[N@H+](CC)C1 ZINC000663444664 414258652 /nfs/dbraw/zinc/25/86/52/414258652.db2.gz CYRSCDMAWTZDET-AWEZNQCLSA-N 2 0 282.432 1.206 10 0 CDAERP CCN(C(=O)N[C@H]1CC[NH+](C(C)(C)C)C1)[C@H]1CC[N@H+](C)C1 ZINC000665553155 414272058 /nfs/dbraw/zinc/27/20/58/414272058.db2.gz PCBWKTDMUMUHFH-KBPBESRZSA-N 2 0 296.459 1.595 10 0 CDAERP CCCC[C@@H](C[NH3+])NCc1nc2c(s1)C[NH2+]CC2 ZINC000663492678 414288012 /nfs/dbraw/zinc/28/80/12/414288012.db2.gz AYURSOCPXBBKAV-JTQLQIEISA-N 2 0 268.430 1.396 10 0 CDAERP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cnc(N(C)C)s1 ZINC000663499345 414298132 /nfs/dbraw/zinc/29/81/32/414298132.db2.gz YNXNSLWWHUVIKO-LLVKDONJSA-N 2 0 256.419 1.672 10 0 CDAERP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@H](N(C)C(=O)N(C)C)C2)CC[NH2+]1 ZINC000663501491 414301757 /nfs/dbraw/zinc/30/17/57/414301757.db2.gz WMAGYGFZSUETEB-RDBSUJKOSA-N 2 0 282.432 1.062 10 0 CDAERP COCCN(C)c1ccc(C[NH2+]CC[C@@H]([NH3+])C(C)C)cn1 ZINC000663504514 414306407 /nfs/dbraw/zinc/30/64/07/414306407.db2.gz ZLSGDIVSXZKVAA-OAHLLOKOSA-N 2 0 294.443 1.627 10 0 CDAERP C[C@@H](O)CCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657453117 414351246 /nfs/dbraw/zinc/35/12/46/414351246.db2.gz VABWOWMBZBIHMO-GFCCVEGCSA-N 2 0 260.341 1.518 10 0 CDAERP Cn1nc(C(F)(F)F)cc1C[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000657469075 414364134 /nfs/dbraw/zinc/36/41/34/414364134.db2.gz FPGVYTBIDYLJDU-QMMMGPOBSA-N 2 0 299.300 1.809 10 0 CDAERP c1nc2c([nH]1)C[C@@H]([NH2+]Cc1cnc3n1CCC3)CC2 ZINC000657470362 414368900 /nfs/dbraw/zinc/36/89/00/414368900.db2.gz RIBNMABWFVZXLU-JTQLQIEISA-N 2 0 257.341 1.200 10 0 CDAERP CC[NH+](CC)CCO[C@@H]1CCN(Cc2coc(C)n2)C1 ZINC000659980643 414319273 /nfs/dbraw/zinc/31/92/73/414319273.db2.gz XQXLXCCFFHRRCD-OAHLLOKOSA-N 2 0 281.400 1.916 10 0 CDAERP CCC[NH+]1CCC([N@H+](C)C[C@H](COC)OC)CC1 ZINC000659983306 414326827 /nfs/dbraw/zinc/32/68/27/414326827.db2.gz JCVAIDZCPVBDFY-CQSZACIVSA-N 2 0 258.406 1.454 10 0 CDAERP CCN(C(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1)[C@H]1CC[N@H+](C)C1 ZINC000663681109 414403059 /nfs/dbraw/zinc/40/30/59/414403059.db2.gz IUUCPXHUGUPVDJ-KFWWJZLASA-N 2 0 294.443 1.349 10 0 CDAERP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C2CCC2)C1 ZINC000662041825 414486035 /nfs/dbraw/zinc/48/60/35/414486035.db2.gz COLJLUBXQUCAIJ-GJZGRUSLSA-N 2 0 254.418 1.811 10 0 CDAERP COc1cccc(C[N@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662249898 414585843 /nfs/dbraw/zinc/58/58/43/414585843.db2.gz UPUSIMOBDLNVPE-OAHLLOKOSA-N 2 0 276.380 1.648 10 0 CDAERP OCC[N@H+](CCc1ccccc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662253728 414586721 /nfs/dbraw/zinc/58/67/21/414586721.db2.gz CAILNZNFXLUYGQ-MRXNPFEDSA-N 2 0 290.407 1.044 10 0 CDAERP C[C@@H]1SCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)[C@H]1C ZINC000662254452 414589738 /nfs/dbraw/zinc/58/97/38/414589738.db2.gz IFXAFRQVWCRQCO-SDDRHHMPSA-N 2 0 256.415 1.333 10 0 CDAERP CC1CCC([NH+]2CCN(C[C@H]3C[NH2+]CCO3)CC2)CC1 ZINC000662264715 414600221 /nfs/dbraw/zinc/60/02/21/414600221.db2.gz VGRFBELWLIODCC-UYSNPLJNSA-N 2 0 281.444 1.171 10 0 CDAERP c1cn(C[C@H]2CC[N@@H+](CCCC3CC[NH2+]CC3)C2)nn1 ZINC000662296885 414621986 /nfs/dbraw/zinc/62/19/86/414621986.db2.gz VSKVZQHHIUAGAZ-HNNXBMFYSA-N 2 0 277.416 1.380 10 0 CDAERP CCN(C)C[C@@H](O)C[N@H+](CCC1CC1)CC1CC1 ZINC000662177779 414554161 /nfs/dbraw/zinc/55/41/61/414554161.db2.gz OHXSAZYWMRIWMY-OAHLLOKOSA-N 2 0 254.418 1.811 10 0 CDAERP CCCCNC(=O)CC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319741 414637451 /nfs/dbraw/zinc/63/74/51/414637451.db2.gz LSWAJSWCOXGZIR-OAHLLOKOSA-N 2 0 299.459 1.335 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)C2CCC([NH3+])CC2)C1 ZINC000040624339 174356656 /nfs/dbraw/zinc/35/66/56/174356656.db2.gz KDXYMMRYAQZWTK-IYXRBSQSSA-N 2 0 267.417 1.350 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000040693959 174377842 /nfs/dbraw/zinc/37/78/42/174377842.db2.gz CKUPQPASNLSCFV-HUUCEWRRSA-N 2 0 251.418 1.817 10 0 CDAERP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000040694297 174377845 /nfs/dbraw/zinc/37/78/45/174377845.db2.gz PKPQNQONBYHJJZ-HUUCEWRRSA-N 2 0 252.402 1.850 10 0 CDAERP CCN(CC)C(=O)CCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747155 174392745 /nfs/dbraw/zinc/39/27/45/174392745.db2.gz QOPJOMXDWLMHDZ-YIONKMFJSA-N 2 0 281.444 1.850 10 0 CDAERP CN(CC[NH+](C)C)[C@H](C[NH3+])c1c(F)cccc1Cl ZINC000041410354 174548741 /nfs/dbraw/zinc/54/87/41/174548741.db2.gz JGGRHSBSGVIPIV-GFCCVEGCSA-N 2 0 273.783 1.972 10 0 CDAERP CC[C@H]([NH3+])[C@@H](c1ccncc1)N1CC[NH+](CC2CC2)CC1 ZINC000043354235 175021725 /nfs/dbraw/zinc/02/17/25/175021725.db2.gz JKNPADMZJFHNEW-DLBZAZTESA-N 2 0 288.439 1.888 10 0 CDAERP C[NH+]1CCN(CCC[NH2+]Cc2ccc(O)c(Cl)c2)CC1 ZINC000043477139 175054806 /nfs/dbraw/zinc/05/48/06/175054806.db2.gz VWDVZSSCNXLCJW-UHFFFAOYSA-N 2 0 297.830 1.773 10 0 CDAERP CCC[NH2+][C@H]1CCC[C@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815424 175112535 /nfs/dbraw/zinc/11/25/35/175112535.db2.gz OBBYORNMRXMURR-LSDHHAIUSA-N 2 0 253.434 1.933 10 0 CDAERP C[NH2+][C@@H]1c2ccccc2OC[C@H]1N1CC[NH+](C(C)C)CC1 ZINC000043896995 175120032 /nfs/dbraw/zinc/12/00/32/175120032.db2.gz QJXMXHWJVRVLSB-NVXWUHKLSA-N 2 0 289.423 1.734 10 0 CDAERP C[NH2+][C@@H](CN1CC[NH+](CC2CC2)CC1)C(C)(C)C ZINC000043967839 175128827 /nfs/dbraw/zinc/12/88/27/175128827.db2.gz AMLZIAPDGBEJML-AWEZNQCLSA-N 2 0 253.434 1.648 10 0 CDAERP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N1CC[NH+](C2CC2)CC1 ZINC000043967674 175128883 /nfs/dbraw/zinc/12/88/83/175128883.db2.gz MUVZEGWDXOYQPM-KBMXLJTQSA-N 2 0 265.445 1.933 10 0 CDAERP C(C[NH2+][C@H]1CCN(C2CC2)C1)C[C@@H]1CCC[NH2+]C1 ZINC000044679477 175228555 /nfs/dbraw/zinc/22/85/55/175228555.db2.gz ZHVRSFFJBBZZFN-KBPBESRZSA-N 2 0 251.418 1.593 10 0 CDAERP C[NH+]1CCC(CNC(=O)C2(C[NH3+])CCCCCC2)CC1 ZINC000044764388 175248443 /nfs/dbraw/zinc/24/84/43/175248443.db2.gz ARBUALQPXHLEMX-UHFFFAOYSA-N 2 0 281.444 1.744 10 0 CDAERP CCCC(C[NH3+])(CCC)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000044802684 175256174 /nfs/dbraw/zinc/25/61/74/175256174.db2.gz CEEZEKDECPVCDL-ZDUSSCGKSA-N 2 0 269.433 1.600 10 0 CDAERP C[C@@H](C[NH+]1CCCC1)NC(=O)[C@@H](C[NH3+])Cc1ccccc1 ZINC000044805801 175256552 /nfs/dbraw/zinc/25/65/52/175256552.db2.gz QWLROWNLMWBCRI-GOEBONIOSA-N 2 0 289.423 1.405 10 0 CDAERP CN(CCC[NH3+])C(=O)C[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000045069413 175300525 /nfs/dbraw/zinc/30/05/25/175300525.db2.gz LGMSAOFCYOJKOE-AWEZNQCLSA-N 2 0 267.417 1.448 10 0 CDAERP CC1CC[NH+](CCCC[C@](C)([NH2+]C2CC2)C(N)=O)CC1 ZINC000045374865 175365384 /nfs/dbraw/zinc/36/53/84/175365384.db2.gz YZKWYRLRQWDPOO-INIZCTEOSA-N 2 0 281.444 1.885 10 0 CDAERP C[NH2+][C@](C)(CCCC[N@H+](C)C1CCCC1)C(N)=O ZINC000045384679 175371894 /nfs/dbraw/zinc/37/18/94/175371894.db2.gz DKVCTKXDPQZRPL-CQSZACIVSA-N 2 0 255.406 1.495 10 0 CDAERP CCC(CC)[N@H+](C)CCCC[C@](C)([NH2+]C)C(N)=O ZINC000045391429 175375131 /nfs/dbraw/zinc/37/51/31/175375131.db2.gz QHVSCPJPYSXFAY-AWEZNQCLSA-N 2 0 257.422 1.741 10 0 CDAERP CCOC1CC[NH+](CCCC[C@@](C)([NH2+]C)C(N)=O)CC1 ZINC000045420122 175378745 /nfs/dbraw/zinc/37/87/45/175378745.db2.gz FJMLTWNVWJFEDC-OAHLLOKOSA-N 2 0 285.432 1.121 10 0 CDAERP CCC[C@H]1C[C@@](C[NH3+])(N(C)CCC[NH+](C)C)CCO1 ZINC000070366612 175896577 /nfs/dbraw/zinc/89/65/77/175896577.db2.gz NOPLANLUABMSGW-GJZGRUSLSA-N 2 0 271.449 1.547 10 0 CDAERP C[NH2+][C@@](C)(CO)CCCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000070514297 175962781 /nfs/dbraw/zinc/96/27/81/175962781.db2.gz ZAEOWRULYDXHLX-MRXNPFEDSA-N 3 0 285.476 1.401 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)N1CCC[C@@H]([NH2+]C2CC2)C1=O ZINC000071034302 176024257 /nfs/dbraw/zinc/02/42/57/176024257.db2.gz QLJCKOFOTWWCBK-ZIAGYGMSSA-N 2 0 267.417 1.316 10 0 CDAERP CC(C)[NH2+][C@H]1CCCN(C[C@H](C)[NH+]2CCCCC2)C1=O ZINC000071036404 176025764 /nfs/dbraw/zinc/02/57/64/176025764.db2.gz JIDRDVXCHUEWEW-GJZGRUSLSA-N 2 0 281.444 1.850 10 0 CDAERP CC(C)[NH2+][C@@H]1CCCN([C@@H](C)C[NH+]2CCCCC2)C1=O ZINC000071037390 176026047 /nfs/dbraw/zinc/02/60/47/176026047.db2.gz XVPKNMMNGNWSFA-LSDHHAIUSA-N 2 0 281.444 1.850 10 0 CDAERP CC[C@@H]1CCC[C@@H]([NH+]2CCN(CCC[NH3+])CC2)C1 ZINC000071147371 176043150 /nfs/dbraw/zinc/04/31/50/176043150.db2.gz USUFZAZLURZKPM-HUUCEWRRSA-N 2 0 253.434 1.922 10 0 CDAERP C[C@H]([NH3+])[C@@H](N(C)C[C@@H]1CC[N@H+](C)C1)C(F)(F)F ZINC000071188148 176062560 /nfs/dbraw/zinc/06/25/60/176062560.db2.gz DPJMTVCQKQCJPI-IVZWLZJFSA-N 2 0 253.312 1.148 10 0 CDAERP CCC[NH+]1CCC(C[NH3+])(N(C)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000071188593 176063412 /nfs/dbraw/zinc/06/34/12/176063412.db2.gz XWONESZGBSPQJQ-HNNXBMFYSA-N 3 0 282.476 1.073 10 0 CDAERP Cc1ccccc1[C@@H]([NH3+])CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188707 176063512 /nfs/dbraw/zinc/06/35/12/176063512.db2.gz JGBWSFLWMCEKTL-ZBFHGGJFSA-N 2 0 261.413 1.878 10 0 CDAERP CC[NH2+][C@@](C)(CCCC[N@H+](C)C[C@@H]1CC[NH+](C)C1)C(=O)[O-] ZINC000071190840 176068512 /nfs/dbraw/zinc/06/85/12/176068512.db2.gz STHDEWJSHGJFJA-HOCLYGCPSA-N 2 0 299.459 1.493 10 0 CDAERP CC[NH2+]CC1(CN(C)C[C@H]2CC[N@H+](C)C2)CCOCC1 ZINC000071191279 176070136 /nfs/dbraw/zinc/07/01/36/176070136.db2.gz ZPKORRHUFUFIKK-HNNXBMFYSA-N 2 0 283.460 1.276 10 0 CDAERP CC[NH2+][C@H]1CCC[C@H]1CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191305 176070322 /nfs/dbraw/zinc/07/03/22/176070322.db2.gz JBRQRANJQNAGQQ-ILXRZTDVSA-N 2 0 253.434 1.648 10 0 CDAERP C[C@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071193284 176075449 /nfs/dbraw/zinc/07/54/49/176075449.db2.gz UOCZHELNFIJMPE-REWJHTLYSA-N 2 0 267.417 1.160 10 0 CDAERP C[C@@H](CN1CC[C@H]([NH2+]C2CC2)C1)[NH+]1CCCCC1 ZINC000071201176 176077560 /nfs/dbraw/zinc/07/75/60/176077560.db2.gz ADCIXXVSSBBLCB-ZFWWWQNUSA-N 2 0 251.418 1.687 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CN2CC[C@H]([NH2+]C3CC3)C2)C1 ZINC000071200516 176077941 /nfs/dbraw/zinc/07/79/41/176077941.db2.gz RUFNHXDQBBSTBE-ZFWWWQNUSA-N 2 0 251.418 1.543 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)C1CCCC1 ZINC000071378632 176143872 /nfs/dbraw/zinc/14/38/72/176143872.db2.gz ZDJHCZHAZHUUGM-CWRNSKLLSA-N 2 0 293.455 1.898 10 0 CDAERP Cc1ccsc1[C@@H](C[NH3+])N1CC[NH+](CC(C)(C)O)CC1 ZINC000071380235 176144594 /nfs/dbraw/zinc/14/45/94/176144594.db2.gz HHTQDSOWKMKIII-CYBMUJFWSA-N 2 0 297.468 1.445 10 0 CDAERP CC[C@@H](CC[NH3+])CCC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000079213284 177448224 /nfs/dbraw/zinc/44/82/24/177448224.db2.gz UJHJFGQOIWVPRT-HUUCEWRRSA-N 2 0 281.444 1.838 10 0 CDAERP CC(C)(C)[NH+]1CCC(NC(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC000079516304 177512696 /nfs/dbraw/zinc/51/26/96/177512696.db2.gz ZGZMQHUSOWAKJM-HNNXBMFYSA-N 2 0 267.417 1.508 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000418092859 228029249 /nfs/dbraw/zinc/02/92/49/228029249.db2.gz AUXWEXMLIQRWHB-HZSPNIEDSA-N 2 0 296.459 1.404 10 0 CDAERP CCn1cncc1CN1CCO[C@@H]2CC[N@H+](CC)C[C@@H]21 ZINC000418073337 228006527 /nfs/dbraw/zinc/00/65/27/228006527.db2.gz ZZGLYEWUHSBKIT-LSDHHAIUSA-N 2 0 278.400 1.198 10 0 CDAERP CC(C)COC[C@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088164517 260280201 /nfs/dbraw/zinc/28/02/01/260280201.db2.gz VMSREBMIWKBFLB-WTXIUTQJSA-N 2 0 284.444 1.625 10 0 CDAERP CCn1nccc1C[N@H+](CCO)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414765474 263040912 /nfs/dbraw/zinc/04/09/12/263040912.db2.gz ZUWVXYUDAMFGBB-KBPBESRZSA-N 2 0 280.416 1.085 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](C[C@@H]2CNCCO2)CC1 ZINC000662260472 423806891 /nfs/dbraw/zinc/80/68/91/423806891.db2.gz MGZOCLBHQKHNFM-HNNXBMFYSA-N 2 0 269.433 1.029 10 0 CDAERP C[NH2+]C[C@@H]1CCCN(Cc2nc3c(s2)C[NH2+]CC3)C1 ZINC000663494988 423885639 /nfs/dbraw/zinc/88/56/39/423885639.db2.gz MMIOKLNWBRMEDH-NSHDSACASA-N 2 0 280.441 1.220 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)NCCC1(C[NH3+])CC1 ZINC000652151350 423968666 /nfs/dbraw/zinc/96/86/66/423968666.db2.gz QUACJTQHEXDIPS-UHFFFAOYSA-N 2 0 270.421 1.147 10 0 CDAERP COCCOCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000070481617 424142309 /nfs/dbraw/zinc/14/23/09/424142309.db2.gz KRCDRPYOLFPSKG-KBPBESRZSA-N 2 0 256.390 1.113 10 0 CDAERP CC(C)[NH2+]CCCNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653048556 424165398 /nfs/dbraw/zinc/16/53/98/424165398.db2.gz IEANPOYGLRPUMS-STQMWFEESA-N 2 0 253.390 1.021 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CC[NH+]2C(C)(C)C)C1 ZINC000661406536 424324760 /nfs/dbraw/zinc/32/47/60/424324760.db2.gz JOOKMLFWSCFMBH-UONOGXRCSA-N 2 0 296.459 1.643 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)C1 ZINC000661406526 424326386 /nfs/dbraw/zinc/32/63/86/424326386.db2.gz JOOKMLFWSCFMBH-KBPBESRZSA-N 2 0 296.459 1.643 10 0 CDAERP CCCC[N@H+](CCO)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000519699874 265552972 /nfs/dbraw/zinc/55/29/72/265552972.db2.gz CJUPMIQGXBEIOF-UHFFFAOYSA-N 2 0 262.397 1.927 10 0 CDAERP Cc1ccc([C@H]([NH3+])C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000655488947 424504757 /nfs/dbraw/zinc/50/47/57/424504757.db2.gz JSWRLSZPLGSFOJ-CFVMTHIKSA-N 2 0 275.396 1.451 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000655488613 424506992 /nfs/dbraw/zinc/50/69/92/424506992.db2.gz DHOMVPDVSACNCZ-AWCCCEEUSA-N 2 0 279.428 1.364 10 0 CDAERP CC(=O)NCc1ccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000665235047 424470429 /nfs/dbraw/zinc/47/04/29/424470429.db2.gz OTHCLVJGKXXZCV-JKSUJKDBSA-N 2 0 275.396 1.540 10 0 CDAERP CO[C@H](C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1)[C@@H]1CCOC1 ZINC000665234788 424470785 /nfs/dbraw/zinc/47/07/85/424470785.db2.gz KCUOZCVNSGOUNG-KLHDSHLOSA-N 2 0 284.444 1.938 10 0 CDAERP CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653156299 424554725 /nfs/dbraw/zinc/55/47/25/424554725.db2.gz XEUREAJUYLMNPZ-KGLIPLIRSA-N 2 0 265.401 1.070 10 0 CDAERP CCC[C@@](C)([NH3+])C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662972184 424579741 /nfs/dbraw/zinc/57/97/41/424579741.db2.gz JEFCUUZWGQJCLZ-UKRRQHHQSA-N 2 0 285.432 1.073 10 0 CDAERP CC(C)[C@H](C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)[C@H](C)[NH3+] ZINC000662973785 424579831 /nfs/dbraw/zinc/57/98/31/424579831.db2.gz WANNUEUQVNAFNQ-ZNMIVQPWSA-N 2 0 299.459 1.175 10 0 CDAERP [NH3+]C[C@H](NC(=O)CC[C@@H]([NH3+])c1ccccc1)C(F)(F)F ZINC000655505152 424666928 /nfs/dbraw/zinc/66/69/28/424666928.db2.gz QHCRJBFGDCGKQS-MNOVXSKESA-N 2 0 289.301 1.472 10 0 CDAERP [NH3+]C[C@H](NC(=O)[C@H]1CCCCCC[C@@H]1[NH3+])C(F)(F)F ZINC000655505355 424667666 /nfs/dbraw/zinc/66/76/66/424667666.db2.gz XGNVJUWFQKFPEP-GUBZILKMSA-N 2 0 281.322 1.290 10 0 CDAERP C1CC2(C1)[NH2+]CC[C@@H]2[NH2+][C@H]1CCC12CCOCC2 ZINC000530216523 271158096 /nfs/dbraw/zinc/15/80/96/271158096.db2.gz QBEILLXYYJIFBR-STQMWFEESA-N 2 0 250.386 1.820 10 0 CDAERP [NH3+]CCC1CC[NH+](Cc2cc(CO)ccc2F)CC1 ZINC000530227721 271171614 /nfs/dbraw/zinc/17/16/14/271171614.db2.gz ZLGOAZDNBBHERU-UHFFFAOYSA-N 2 0 266.360 1.879 10 0 CDAERP CC(C)OCC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530238792 271177212 /nfs/dbraw/zinc/17/72/12/271177212.db2.gz CFZCMZHZOAPFTL-HNNXBMFYSA-N 2 0 270.417 1.502 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCC(C)([NH+]2CCOCC2)CC1 ZINC000530244810 271180384 /nfs/dbraw/zinc/18/03/84/271180384.db2.gz PBTSPEYCWYYBDE-HNNXBMFYSA-N 2 0 283.460 1.547 10 0 CDAERP C[C@H]([NH2+]Cc1ccccc1-n1cccn1)[C@H]1CC[NH2+]C1 ZINC000400392232 274517200 /nfs/dbraw/zinc/51/72/00/274517200.db2.gz IQVMWQVDZGAVSH-KBPBESRZSA-N 2 0 270.380 1.960 10 0 CDAERP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H]2CC3CCC2CC3)CC1 ZINC000411754018 276359847 /nfs/dbraw/zinc/35/98/47/276359847.db2.gz GHVDMMYXKMOUBZ-ZBCRRDGASA-N 2 0 293.455 1.755 10 0 CDAERP CC(=O)NC1CCC([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000348636316 277025276 /nfs/dbraw/zinc/02/52/76/277025276.db2.gz AJJZNPWZHIZQMZ-IGTKTAFCSA-N 2 0 281.444 1.752 10 0 CDAERP C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000253624202 277048907 /nfs/dbraw/zinc/04/89/07/277048907.db2.gz CRSPHNDXFAOJLO-MJBXVCDLSA-N 2 0 265.401 1.071 10 0 CDAERP CC(C)(C)C1CC[NH+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000414688296 277135390 /nfs/dbraw/zinc/13/53/90/277135390.db2.gz CYEJSUVWUUOTJY-AWEZNQCLSA-N 2 0 295.471 1.942 10 0 CDAERP CC(C)(C)OC(=O)N1C[C@@H](C[NH3+])[C@@H]([NH+]2CCCCC2)C1 ZINC000058041324 277194901 /nfs/dbraw/zinc/19/49/01/277194901.db2.gz YAAFBUZCEHDXRW-OLZOCXBDSA-N 2 0 283.416 1.667 10 0 CDAERP CC(C)(C)[C@@H](O)C[C@H](CO)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423101400 277228568 /nfs/dbraw/zinc/22/85/68/277228568.db2.gz IPSLUGPIGZPXBH-PQAZSJQKSA-N 2 0 272.433 1.252 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H]1C[NH3+] ZINC000333353134 277392963 /nfs/dbraw/zinc/39/29/63/277392963.db2.gz JXDZQKKRKUGWCO-UONOGXRCSA-N 2 0 282.432 1.240 10 0 CDAERP CC(C)C[C@](C)(C[NH3+])NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000262655555 277510125 /nfs/dbraw/zinc/51/01/25/277510125.db2.gz ZTXBCAJGBCBJIQ-OUCADQQQSA-N 2 0 255.406 1.384 10 0 CDAERP COc1ccccc1N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422873714 278055841 /nfs/dbraw/zinc/05/58/41/278055841.db2.gz LWNNEGDYWPPALG-QLFBSQMISA-N 2 0 289.423 1.991 10 0 CDAERP C[C@H](C[NH2+][C@@H](C)[C@H]1CC1(C)C)N1CC[NH+](C)CC1 ZINC000487304644 278209022 /nfs/dbraw/zinc/20/90/22/278209022.db2.gz DKWIAZHAKNFQDV-HZSPNIEDSA-N 2 0 253.434 1.647 10 0 CDAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)[C@H](c1ccccc1)N1CCOCC1 ZINC000423452132 278230354 /nfs/dbraw/zinc/23/03/54/278230354.db2.gz VZRUYQKXHKXNNW-QBYUYEEZSA-N 2 0 291.439 1.774 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000233014262 278804544 /nfs/dbraw/zinc/80/45/44/278804544.db2.gz YLSDCNXGPSKFQU-AWEZNQCLSA-N 2 0 281.444 1.755 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](C[C@H]2CCNC(=O)CC2)CC1 ZINC000450264251 279092288 /nfs/dbraw/zinc/09/22/88/279092288.db2.gz SOCRMIPLFOLCBY-OAHLLOKOSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)C[C@H](C[NH3+])NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000417931952 279139232 /nfs/dbraw/zinc/13/92/32/279139232.db2.gz LSRFHGZJDXMHBI-YMAMQOFZSA-N 2 0 298.475 1.779 10 0 CDAERP CC[NH+](CC)[C@@H](C)CNC(=O)NCCC1CC[NH+](C)CC1 ZINC000103305117 279143602 /nfs/dbraw/zinc/14/36/02/279143602.db2.gz RTUKSJFVTBOHCB-AWEZNQCLSA-N 2 0 298.475 1.748 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1C[C@H](C)[NH2+]C[C@H]1C ZINC000262008042 279185990 /nfs/dbraw/zinc/18/59/90/279185990.db2.gz MBWOOMYDRRHXMH-QWHCGFSZSA-N 2 0 285.395 1.758 10 0 CDAERP CC[NH+]1CCC(CC[NH2+][C@@H]2CN(C)C[C@@H]2C)CC1 ZINC000344581475 279257175 /nfs/dbraw/zinc/25/71/75/279257175.db2.gz AETVSFLGZIMYNU-DZGCQCFKSA-N 2 0 253.434 1.648 10 0 CDAERP CCN1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000250365937 279323030 /nfs/dbraw/zinc/32/30/30/279323030.db2.gz UVGUFBZAHJHWRD-CAOSSQGBSA-N 2 0 265.445 1.981 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000360122017 279377716 /nfs/dbraw/zinc/37/77/16/279377716.db2.gz BXPGRNDAKLGKLY-GJZGRUSLSA-N 2 0 294.443 1.371 10 0 CDAERP CC[NH+](CC)CCNC(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000194126757 280024711 /nfs/dbraw/zinc/02/47/11/280024711.db2.gz KSVMJUSOUSRQOR-ZDUSSCGKSA-N 2 0 270.421 1.112 10 0 CDAERP CNC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000251028811 280506124 /nfs/dbraw/zinc/50/61/24/280506124.db2.gz JHNDLCMVARPTKO-WUHRBBMRSA-N 2 0 253.390 1.021 10 0 CDAERP CC[C@@H]1C[C@H](C[NH2+]C[C@@](C)(O)C[NH+](C)C)CCO1 ZINC000355666508 280557547 /nfs/dbraw/zinc/55/75/47/280557547.db2.gz CQUJSJXMUDTSIL-MGPQQGTHSA-N 2 0 258.406 1.094 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCC[NH+]1CCCC1 ZINC000245580007 288313781 /nfs/dbraw/zinc/31/37/81/288313781.db2.gz CBSLDYJFQJEAMD-CABCVRRESA-N 2 0 251.418 1.641 10 0 CDAERP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000356215116 282010762 /nfs/dbraw/zinc/01/07/62/282010762.db2.gz KWXMIGHDTZBMRZ-RYUDHWBXSA-N 2 0 255.406 1.364 10 0 CDAERP CC[C@H]1CN(CC[NH+]2CCC(C)CC2)CC[N@@H+]1CCOC ZINC000153804865 289182006 /nfs/dbraw/zinc/18/20/06/289182006.db2.gz BOZUITKKXDOHKZ-KRWDZBQOSA-N 2 0 297.487 1.761 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C2CCC([NH3+])CC2)[C@@H]2CCC[C@H]21 ZINC000423234066 290214509 /nfs/dbraw/zinc/21/45/09/290214509.db2.gz PADYSKZOJCVLDL-QXRZNBQRSA-N 3 0 251.418 1.719 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2(C)CC[NH2+]CC2)[C@@H]2CCC[C@H]21 ZINC000423322970 290215418 /nfs/dbraw/zinc/21/54/18/290215418.db2.gz HSOORUCSMLLSQO-SOUVJXGZSA-N 3 0 265.445 1.839 10 0 CDAERP C[C@@H](CNC(=O)NCC[C@H]1CCC[NH2+]1)[NH+]1CCC(C)CC1 ZINC000557137863 290330708 /nfs/dbraw/zinc/33/07/08/290330708.db2.gz TZZYVBRJKAJYCF-LSDHHAIUSA-N 2 0 296.459 1.548 10 0 CDAERP [NH3+]C1(CNC(=O)N2CC[NH+]3CCC2CC3)CCCCCC1 ZINC000557211875 290336277 /nfs/dbraw/zinc/33/62/77/290336277.db2.gz VYZGMUSUOONHPK-UHFFFAOYSA-N 2 0 294.443 1.528 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)CC[N@@H+]1C ZINC000561180947 293058726 /nfs/dbraw/zinc/05/87/26/293058726.db2.gz JVHYADHLSBOILJ-YCPHGPKFSA-N 2 0 294.443 1.254 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)CC[N@@H+]1C ZINC000561180945 293058965 /nfs/dbraw/zinc/05/89/65/293058965.db2.gz JVHYADHLSBOILJ-IIAWOOMASA-N 2 0 294.443 1.254 10 0 CDAERP COC[C@](C)(CCO)[NH2+]C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420313325 293251300 /nfs/dbraw/zinc/25/13/00/293251300.db2.gz XYLFBZJEIBGZHC-ZBFHGGJFSA-N 2 0 296.411 1.115 10 0 CDAERP CN(C(=O)c1cc(-n2ccnc2)ccn1)[C@H](C[NH3+])C1CC1 ZINC000563115518 293278819 /nfs/dbraw/zinc/27/88/19/293278819.db2.gz USUFTJKJWKJAMU-CQSZACIVSA-N 2 0 285.351 1.077 10 0 CDAERP C[NH2+]CCc1ccccc1C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000565599431 293644194 /nfs/dbraw/zinc/64/41/94/293644194.db2.gz IBSWWPVBNJRSLZ-DOMZBBRYSA-N 2 0 275.396 1.176 10 0 CDAERP Cc1noc(CCC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000571047057 294358226 /nfs/dbraw/zinc/35/82/26/294358226.db2.gz HRLVQUISXOIMAB-FUNVUKJBSA-N 2 0 264.373 1.525 10 0 CDAERP CC[C@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000571528986 294453672 /nfs/dbraw/zinc/45/36/72/294453672.db2.gz QQDCRDGTZFVNKV-SJORKVTESA-N 2 0 291.439 1.336 10 0 CDAERP COC[C@H](C)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000572444437 294623009 /nfs/dbraw/zinc/62/30/09/294623009.db2.gz JTDBSXASNFKGFX-OAHLLOKOSA-N 2 0 284.444 1.703 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000574426994 294998854 /nfs/dbraw/zinc/99/88/54/294998854.db2.gz XMJYVNREJQTSGS-ABXWRUBCSA-N 2 0 280.416 1.134 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000574517785 295011933 /nfs/dbraw/zinc/01/19/33/295011933.db2.gz AJIMUEJZVFYEKH-ZBFHGGJFSA-N 2 0 281.444 1.757 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000246558341 295314158 /nfs/dbraw/zinc/31/41/58/295314158.db2.gz UGLKNGZIWRVZTA-HUUCEWRRSA-N 2 0 279.428 1.591 10 0 CDAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)CC1(C[NH3+])CCCCC1 ZINC000262716955 300324996 /nfs/dbraw/zinc/32/49/96/300324996.db2.gz DTKJTRWFUYCZID-QWHCGFSZSA-N 2 0 267.417 1.400 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCC(CC[NH3+])CC1 ZINC000563337555 316255943 /nfs/dbraw/zinc/25/59/43/316255943.db2.gz CELKQNAWQALHJG-CYBMUJFWSA-N 2 0 267.417 1.352 10 0 CDAERP CC(C)[C@H](C(=O)N1CC2CCC1(C[NH3+])CC2)[NH+](C)C ZINC000563340079 316257404 /nfs/dbraw/zinc/25/74/04/316257404.db2.gz UUMYKRJESFCDMH-JVWICGRDSA-N 2 0 267.417 1.303 10 0 CDAERP O=C(CC[NH2+]C1CC1)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000563410917 316299736 /nfs/dbraw/zinc/29/97/36/316299736.db2.gz QQBXFLSXSYLYAW-UHFFFAOYSA-N 2 0 294.424 1.691 10 0 CDAERP CC[C@H](C)NC(=O)CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000566089527 316471326 /nfs/dbraw/zinc/47/13/26/316471326.db2.gz LLSLTHPGGKIRDE-RWMBFGLXSA-N 2 0 255.406 1.269 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000575860174 317026250 /nfs/dbraw/zinc/02/62/50/317026250.db2.gz VHPAJDVYXYVSBN-RRFJBIMHSA-N 2 0 255.450 1.940 10 0 CDAERP CC[C@H](O)C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000576510734 317151403 /nfs/dbraw/zinc/15/14/03/317151403.db2.gz AMJAKDIDERYCEE-ZDUSSCGKSA-N 2 0 254.349 1.748 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)c1ccccc1CC[NH3+])C1CC1 ZINC000577287940 317302484 /nfs/dbraw/zinc/30/24/84/317302484.db2.gz PJTXPUSBBXLZMK-HNNXBMFYSA-N 2 0 275.396 1.258 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CC2CCC2)C1 ZINC001672761740 1173797477 /nfs/dbraw/zinc/79/74/77/1173797477.db2.gz OTKPKVCHIJBCHO-CVEARBPZSA-N 2 0 293.455 1.709 10 0 CDAERP COCCN1CCC([NH2+]C[C@@H](O)CC2CCCC2)CC1 ZINC000578979920 324070020 /nfs/dbraw/zinc/07/00/20/324070020.db2.gz MQZSOIHXJDAYMG-INIZCTEOSA-N 2 0 284.444 1.628 10 0 CDAERP C[NH+](C)CCN1CCC([NH2+][C@H]2CCCC23CC3)CC1 ZINC000580658519 324527107 /nfs/dbraw/zinc/52/71/07/324527107.db2.gz AZZGKJWNBZREHO-HNNXBMFYSA-N 2 0 265.445 1.935 10 0 CDAERP C[C@H](CCCC[NH3+])NC(=O)c1ccccc1CC[NH3+] ZINC000582129514 324912818 /nfs/dbraw/zinc/91/28/18/324912818.db2.gz JETKABJGZRJVBU-GFCCVEGCSA-N 2 0 263.385 1.435 10 0 CDAERP CC(C)C[C@@H]([NH3+])c1noc(C[C@@H]2CSCC[NH2+]2)n1 ZINC000583752512 325234605 /nfs/dbraw/zinc/23/46/05/325234605.db2.gz NDTCHQMPDFFWRO-NXEZZACHSA-N 2 0 270.402 1.363 10 0 CDAERP COCC[NH2+]C1CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC000584236423 327072763 /nfs/dbraw/zinc/07/27/63/327072763.db2.gz HOSFVODOBZGNPP-OAHLLOKOSA-N 2 0 270.417 1.646 10 0 CDAERP CC(C)=CC[NH+](C)[C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001725180962 1159185261 /nfs/dbraw/zinc/18/52/61/1159185261.db2.gz MXLDOHFMPQBFNI-HUUCEWRRSA-N 2 0 281.444 1.731 10 0 CDAERP CC[C@@H]1CCCCC[N@@H+]1CC(=O)N1CC[NH2+]CC1 ZINC000135297344 1175823493 /nfs/dbraw/zinc/82/34/93/1175823493.db2.gz MLEVOJFDBKKGGU-CYBMUJFWSA-N 2 0 253.390 1.073 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001481739000 1159923301 /nfs/dbraw/zinc/92/33/01/1159923301.db2.gz RRVQMEWOJCZEDZ-OAHLLOKOSA-N 2 0 283.460 1.907 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC/C=C/C[NH2+]CC2CC2)C1 ZINC001268614189 1160000034 /nfs/dbraw/zinc/00/00/34/1160000034.db2.gz SWTBQLHEVXDUIC-MEGKRXCUSA-N 2 0 293.455 1.779 10 0 CDAERP CCCC[C@H](C[NH3+])NC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662430088 482318181 /nfs/dbraw/zinc/31/81/81/482318181.db2.gz ULRHYOAOQXJRSA-GFCCVEGCSA-N 2 0 253.390 1.295 10 0 CDAERP Cc1nc2ccccc2n1CCNC(=O)CC1([NH3+])CC1 ZINC000398126454 482244532 /nfs/dbraw/zinc/24/45/32/482244532.db2.gz SZPGRZQGEUBKCK-UHFFFAOYSA-N 2 0 272.352 1.342 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)[C@@H]1CCc2nc[nH]c2C1 ZINC000668300184 482360436 /nfs/dbraw/zinc/36/04/36/482360436.db2.gz DAQMDKXCRNUFNA-CYBMUJFWSA-N 2 0 292.427 1.561 10 0 CDAERP COC[C@@H](CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1)OC ZINC000668448411 482441756 /nfs/dbraw/zinc/44/17/56/482441756.db2.gz CZOMAFDWLBFMAJ-MRXNPFEDSA-N 2 0 293.411 1.692 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)NCCC2(C[NH3+])CC2)cc1 ZINC000652210056 482458007 /nfs/dbraw/zinc/45/80/07/482458007.db2.gz FPBQLIRGUPUPQB-LBPRGKRZSA-N 2 0 290.411 1.635 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000652291811 482459053 /nfs/dbraw/zinc/45/90/53/482459053.db2.gz IWZQCBTVAVPNCH-DOMZBBRYSA-N 2 0 290.411 1.285 10 0 CDAERP CC[NH+](CC)[C@H](CNC(=O)NC/C=C\C[NH3+])CC(C)C ZINC000669042707 482460954 /nfs/dbraw/zinc/46/09/54/482460954.db2.gz VPBPYSNKOIMNFJ-DANTVBBOSA-N 2 0 284.448 1.557 10 0 CDAERP C[N@H+](CCNC(=O)NC/C=C/C[NH3+])Cc1ccc(F)cc1 ZINC000669518070 482543742 /nfs/dbraw/zinc/54/37/42/482543742.db2.gz YTJYYEPZZQBUBL-NSCUHMNNSA-N 2 0 294.374 1.072 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000417839481 482643528 /nfs/dbraw/zinc/64/35/28/482643528.db2.gz WPLUEPVWXDZRFK-IJLUTSLNSA-N 2 0 253.390 1.151 10 0 CDAERP C[C@@H](CO)[N@H+](C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000685458310 482751972 /nfs/dbraw/zinc/75/19/72/482751972.db2.gz DQNNMLUGZYGXKL-HNNXBMFYSA-N 2 0 292.423 1.974 10 0 CDAERP O=C(NC1CC([NH+]2CCCCC2)C1)N[C@@H]1CCC[NH2+]CC1 ZINC000669575128 482779093 /nfs/dbraw/zinc/77/90/93/482779093.db2.gz GGSQUHJUYWNOEH-WLYUNCDWSA-N 2 0 294.443 1.445 10 0 CDAERP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000403512162 482796888 /nfs/dbraw/zinc/79/68/88/482796888.db2.gz ITSLODKRUZVCPA-LXTVHRRPSA-N 2 0 279.428 1.210 10 0 CDAERP CCO[C@@H]1C[N@H+](C[C@@H](OC)c2ccccc2)C[C@H]1C[NH3+] ZINC000405293638 482864263 /nfs/dbraw/zinc/86/42/63/482864263.db2.gz JKUDICURLOYTGI-BZUAXINKSA-N 2 0 278.396 1.670 10 0 CDAERP O=C([C@H]1[NH2+]CCc2ccccc21)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000520771012 482869183 /nfs/dbraw/zinc/86/91/83/482869183.db2.gz IPRPHPAZIUKYFL-FUHWJXTLSA-N 2 0 299.418 1.476 10 0 CDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)CC[NH2+]C1CC1 ZINC000381059035 482876058 /nfs/dbraw/zinc/87/60/58/482876058.db2.gz JZNPDQLRRFSHNT-CQSZACIVSA-N 2 0 289.423 1.765 10 0 CDAERP C[NH2+]CCC1CCN(C(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000669403055 482886875 /nfs/dbraw/zinc/88/68/75/482886875.db2.gz HCIPOMFJDLRDTH-AWEZNQCLSA-N 2 0 282.432 1.112 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000669403158 482886911 /nfs/dbraw/zinc/88/69/11/482886911.db2.gz MPUPTBVOQNVFFK-IHRRRGAJSA-N 2 0 282.432 1.145 10 0 CDAERP C[C@H]1C[N@H+](C)C[C@@H]1Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000674878886 483166281 /nfs/dbraw/zinc/16/62/81/483166281.db2.gz RVJPUUURNOYOBO-FZMZJTMJSA-N 2 0 257.341 1.629 10 0 CDAERP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H]1CCNC1=O ZINC000669621376 483236308 /nfs/dbraw/zinc/23/63/08/483236308.db2.gz NKGJPVVUEDUKBE-HNNXBMFYSA-N 2 0 275.396 1.459 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)NCC[NH+]1CCCCCC1 ZINC000136424388 483402578 /nfs/dbraw/zinc/40/25/78/483402578.db2.gz BPQVFORWKITOCQ-CYBMUJFWSA-N 2 0 255.406 1.352 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C[C@H]([NH3+])C(C)C ZINC000136485332 483408421 /nfs/dbraw/zinc/40/84/21/483408421.db2.gz SXZOUSVOFMESCZ-STQMWFEESA-N 2 0 255.406 1.303 10 0 CDAERP C[NH+]1CCC(CC[NH2+][C@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667853741 483460637 /nfs/dbraw/zinc/46/06/37/483460637.db2.gz NDTABUHPZYVTMD-CABCVRRESA-N 2 0 252.402 1.875 10 0 CDAERP OCCN1CCC([NH2+]C2CC(c3ccccc3)C2)CC1 ZINC000679996800 483511022 /nfs/dbraw/zinc/51/10/22/483511022.db2.gz CUYMAGHBDXUAON-UHFFFAOYSA-N 2 0 274.408 1.979 10 0 CDAERP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000680499253 483639959 /nfs/dbraw/zinc/63/99/59/483639959.db2.gz JHRJVIRTMKONCB-HIFRSBDPSA-N 2 0 296.459 1.452 10 0 CDAERP CC(C)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)nn1 ZINC000051548957 519727395 /nfs/dbraw/zinc/72/73/95/519727395.db2.gz QJUQFXRKUBGODI-UHFFFAOYSA-N 2 0 264.373 1.449 10 0 CDAERP CC[NH2+]CCC(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000061298241 519916334 /nfs/dbraw/zinc/91/63/34/519916334.db2.gz OFQJMECNTVLUBO-ZFWWWQNUSA-N 2 0 269.433 1.613 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@@H+]2CCOC[C@@H]2CC)O1 ZINC000052481614 519978796 /nfs/dbraw/zinc/97/87/96/519978796.db2.gz JYXKGDFOBNQOTC-MJBXVCDLSA-N 2 0 256.390 1.254 10 0 CDAERP CC[NH+](CC)CC[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001772487821 1161113212 /nfs/dbraw/zinc/11/32/12/1161113212.db2.gz JGKLHCCYTSDMFA-CQSZACIVSA-N 2 0 299.459 1.334 10 0 CDAERP CCN[C@@](C)(C[C@@H](C)[N@H+](C)C[C@@H]1CC[NH+](C)C1)C(=O)OC ZINC000068646527 520138297 /nfs/dbraw/zinc/13/82/97/520138297.db2.gz BEQOHEMGQMPMSX-FMKPAKJESA-N 2 0 299.459 1.190 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C[C@@H]2CCC[C@@H]2[NH2+]C)C1 ZINC000062970357 520847143 /nfs/dbraw/zinc/84/71/43/520847143.db2.gz LXLPCVDLKWTPDI-ZNMIVQPWSA-N 2 0 253.434 1.791 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)CC[C@@H]2CCCC[NH2+]2)CC1 ZINC000050942623 521552890 /nfs/dbraw/zinc/55/28/90/521552890.db2.gz MWRHRECIKSTIRC-AWEZNQCLSA-N 2 0 281.444 1.851 10 0 CDAERP CC[NH+]1CCN([C@H](CC(N)=[NH2+])c2ccccc2)CC1 ZINC000055022558 521694662 /nfs/dbraw/zinc/69/46/62/521694662.db2.gz JBPWCDFGMNVXBQ-CQSZACIVSA-N 2 0 260.385 1.691 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1Cc1cccc(C(N)=[NH2+])c1 ZINC000061644696 521870257 /nfs/dbraw/zinc/87/02/57/521870257.db2.gz RNZMVYGNGFCINA-CQSZACIVSA-N 2 0 260.385 1.497 10 0 CDAERP C[NH2+]C(C)(C)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000061318394 521934494 /nfs/dbraw/zinc/93/44/94/521934494.db2.gz AAMLPKGRCPGSAB-JTQLQIEISA-N 2 0 269.414 1.465 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCC2(C)CC[NH+](C)CC2)CC[N@@H+]1C ZINC000336016270 1161589999 /nfs/dbraw/zinc/58/99/99/1161589999.db2.gz UVSQVQPYXJYUFR-KBPBESRZSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000581486260 518180998 /nfs/dbraw/zinc/18/09/98/518180998.db2.gz CMOSJMORSCSGDU-BPUTZDHNSA-N 2 0 289.423 1.274 10 0 CDAERP CC(C)CCOCCN1CC[NH+](CCCC[NH3+])CC1 ZINC000049265208 519666090 /nfs/dbraw/zinc/66/60/90/519666090.db2.gz IMEQWATWHJVLGG-UHFFFAOYSA-N 2 0 271.449 1.406 10 0 CDAERP CC(C)[NH+]1CCC(C[NH3+])(N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000062978487 519669403 /nfs/dbraw/zinc/66/94/03/519669403.db2.gz DIDPCQVKKAKMPW-INIZCTEOSA-N 3 0 294.487 1.358 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C1CC[NH2+]CC1 ZINC000236768447 519721931 /nfs/dbraw/zinc/72/19/31/519721931.db2.gz PBDXFWSUYFAWLL-CQSZACIVSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)[NH2+]C[C@@H](C(C)C)N1CC[NH+](C2CC2)CC1 ZINC000052371228 519722792 /nfs/dbraw/zinc/72/27/92/519722792.db2.gz DGRBAQPTKVVJEO-HNNXBMFYSA-N 2 0 253.434 1.789 10 0 CDAERP CC(C)C[NH+]1CCN([C@@H](CC[NH3+])C(F)(F)F)CC1 ZINC000055077645 519727651 /nfs/dbraw/zinc/72/76/51/519727651.db2.gz MNQOGXGPADKIIH-NSHDSACASA-N 2 0 267.339 1.540 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CC[C@@H](CN2CC[NH+](C(C)C)CC2)O1 ZINC000052480140 519746423 /nfs/dbraw/zinc/74/64/23/519746423.db2.gz MSUDYOCNUSBOLU-SJORKVTESA-N 2 0 297.487 1.806 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)Nc1cccc(C[NH3+])c1 ZINC000049227448 519793465 /nfs/dbraw/zinc/79/34/65/519793465.db2.gz BTQPPTBPADSETJ-CQSZACIVSA-N 2 0 278.400 1.853 10 0 CDAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)N[C@@H](C)CC ZINC000054629542 519910677 /nfs/dbraw/zinc/91/06/77/519910677.db2.gz NFFNZQRVHSFUQL-AVOUXACISA-N 2 0 281.444 1.896 10 0 CDAERP CCC[NH2+]CCCC[N@H+](CCCOC)CCOC ZINC000052543179 519911801 /nfs/dbraw/zinc/91/18/01/519911801.db2.gz ODLZSWTXPHMNTN-UHFFFAOYSA-N 2 0 260.422 1.751 10 0 CDAERP CC[NH2+]CC1(C[N@H+](CCOC)C2CC2)CCOCC1 ZINC000052183059 519912569 /nfs/dbraw/zinc/91/25/69/519912569.db2.gz SNPPYKHTYSTPHY-UHFFFAOYSA-N 2 0 270.417 1.504 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@H](C[N@H+](CC)CCOC)O1 ZINC000052542781 519927589 /nfs/dbraw/zinc/92/75/89/519927589.db2.gz OFSLXKKSLXTLLY-UONOGXRCSA-N 2 0 258.406 1.502 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)N(C)C1CC[NH+](CC)CC1 ZINC000061229954 519932255 /nfs/dbraw/zinc/93/22/55/519932255.db2.gz BHRHCCLCZVSNBF-GFCCVEGCSA-N 2 0 255.406 1.175 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000061266052 519932834 /nfs/dbraw/zinc/93/28/34/519932834.db2.gz FBIYPNZDJIAHAN-GFCCVEGCSA-N 2 0 255.406 1.032 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)NC[C@H](C(CC)CC)[NH+](C)C ZINC000061267226 519963591 /nfs/dbraw/zinc/96/35/91/519963591.db2.gz JVSVZDNQUUDOBE-GXTWGEPZSA-N 2 0 271.449 1.715 10 0 CDAERP CC[NH2+]Cc1ccc(C[NH+](CCOC)CCOC)cc1 ZINC000052571473 519995997 /nfs/dbraw/zinc/99/59/97/519995997.db2.gz IWHZZEJRVVXUBP-UHFFFAOYSA-N 2 0 280.412 1.891 10 0 CDAERP CC[NH2+]Cc1coc(C[N@H+](CCOC)[C@H](C)COC)c1 ZINC000052572389 520017289 /nfs/dbraw/zinc/01/72/89/520017289.db2.gz QAVQZEOCPZEQDV-CYBMUJFWSA-N 2 0 284.400 1.872 10 0 CDAERP CCC[NH2+][C@@H]1CCOC[C@@H]1N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055066146 520024540 /nfs/dbraw/zinc/02/45/40/520024540.db2.gz CSBYNZAJCZOHNG-XHSDSOJGSA-N 2 0 283.460 1.560 10 0 CDAERP CCC[NH2+][C@@](C)(CO)CCN1CC[C@H]([NH+](CC)CC)C1 ZINC000070337464 520038308 /nfs/dbraw/zinc/03/83/08/520038308.db2.gz WIKBYDIPUYLOKN-JKSUJKDBSA-N 2 0 285.476 1.543 10 0 CDAERP CCC[NH2+][C@](CO)(CN(C)CC[NH+](C)C)c1ccccc1 ZINC000070336017 520121705 /nfs/dbraw/zinc/12/17/05/520121705.db2.gz LADNRZKKCWXVGZ-KRWDZBQOSA-N 2 0 293.455 1.367 10 0 CDAERP CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261731488 534501648 /nfs/dbraw/zinc/50/16/48/534501648.db2.gz HIHZXAPYMYSQDC-WMLDXEAASA-N 2 0 295.471 1.860 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](CCN2CCNC2=O)CC1 ZINC000336841047 520587715 /nfs/dbraw/zinc/58/77/15/520587715.db2.gz RDCOALPQAIQMNS-UHFFFAOYSA-N 2 0 282.432 1.065 10 0 CDAERP CC[NH+](CC)CCNC(=O)[C@H]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000055123023 520680182 /nfs/dbraw/zinc/68/01/82/520680182.db2.gz DFNAKPFSLCURBB-XQQFMLRXSA-N 2 0 255.406 1.208 10 0 CDAERP CC[NH+](CC)CCNC(=O)[C@H]1CCC[C@H](CC[NH3+])C1 ZINC000055145563 520680967 /nfs/dbraw/zinc/68/09/67/520680967.db2.gz YOWFEMBOQWMWTH-KGLIPLIRSA-N 2 0 269.433 1.600 10 0 CDAERP CCC[C@@]1(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CCC[NH2+]C1 ZINC000062972952 520941007 /nfs/dbraw/zinc/94/10/07/520941007.db2.gz BRMIYUQIAPLVPG-NVXWUHKLSA-N 2 0 293.455 1.853 10 0 CDAERP CC1CC[NH+](CCNC(=O)[C@H]2CC[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000055136690 521014218 /nfs/dbraw/zinc/01/42/18/521014218.db2.gz WXHCVLFCFCWLKF-KKUMJFAQSA-N 2 0 281.444 1.598 10 0 CDAERP CCCC[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055078418 521204353 /nfs/dbraw/zinc/20/43/53/521204353.db2.gz URPBAQLTQDCDGB-STQMWFEESA-N 2 0 255.406 1.447 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)CC[C@H]2CCCC[NH2+]2)CC1 ZINC000050942627 521553009 /nfs/dbraw/zinc/55/30/09/521553009.db2.gz MWRHRECIKSTIRC-CQSZACIVSA-N 2 0 281.444 1.851 10 0 CDAERP CCC(CC)[C@@H](CNC(=O)C[C@H]1CCC[NH2+]C1)[NH+](C)C ZINC000054308748 521602449 /nfs/dbraw/zinc/60/24/49/521602449.db2.gz DCBVXCCMMYVONA-UKRRQHHQSA-N 2 0 283.460 1.859 10 0 CDAERP CCC(CC)[C@@H](CNC(=O)[C@]1(CC)CC[NH2+]C1)[NH+](C)C ZINC000062900011 521604704 /nfs/dbraw/zinc/60/47/04/521604704.db2.gz UXGHLXNNZOYZQJ-GDBMZVCRSA-N 2 0 283.460 1.859 10 0 CDAERP CCCN(CC[NH+](C)C)[C@@H](C)C[NH2+]CCCOC ZINC000053496743 521657947 /nfs/dbraw/zinc/65/79/47/521657947.db2.gz UEQNUHYMUYCWFR-AWEZNQCLSA-N 2 0 259.438 1.275 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1[C@@H](C[NH3+])c1ccccc1F ZINC000061642182 521843832 /nfs/dbraw/zinc/84/38/32/521843832.db2.gz LLUYRPCOLQBNGY-WFASDCNBSA-N 2 0 265.376 1.852 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1CCOc1ccc(CC[NH3+])cc1 ZINC000061642507 521868395 /nfs/dbraw/zinc/86/83/95/521868395.db2.gz GOKLVZGBLOUBOZ-MRXNPFEDSA-N 2 0 291.439 1.593 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1c1nc2c(cc1C[NH3+])CCCC2 ZINC000061641609 521874907 /nfs/dbraw/zinc/87/49/07/521874907.db2.gz YLXPSAMKLXDUKW-OAHLLOKOSA-N 2 0 288.439 1.950 10 0 CDAERP C[NH2+]CCC[C@@H](C)[NH+]1CCN(c2nccs2)CC1 ZINC000052417684 521997780 /nfs/dbraw/zinc/99/77/80/521997780.db2.gz MPTZTRQRPIGKQO-GFCCVEGCSA-N 2 0 268.430 1.653 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000055077770 522108730 /nfs/dbraw/zinc/10/87/30/522108730.db2.gz IECSISIDRBQCQT-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@@H](C)N1CC[NH+](CC2CCC([NH3+])CC2)CC1 ZINC000055083556 522118735 /nfs/dbraw/zinc/11/87/35/522118735.db2.gz MJUZQYQREJOFCV-WLYUNCDWSA-N 2 0 253.434 1.920 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000055066866 522121323 /nfs/dbraw/zinc/12/13/23/522121323.db2.gz LEWOOFSGJUSXRY-CABCVRRESA-N 2 0 253.434 1.792 10 0 CDAERP CC[C@H](CC[NH3+])[N@@H+]1CCCN(c2ccnc(C)n2)CC1 ZINC000054935436 522127919 /nfs/dbraw/zinc/12/79/19/522127919.db2.gz IINZJFMZURQSBY-CQSZACIVSA-N 2 0 277.416 1.425 10 0 CDAERP CC[C@@H](C)[NH+]1CCN([C@H]2CC3(CC[C@@H]2[NH3+])OCCO3)CC1 ZINC000055065423 522130994 /nfs/dbraw/zinc/13/09/94/522130994.db2.gz DYKBIHMNAQVGIT-ILXRZTDVSA-N 2 0 297.443 1.025 10 0 CDAERP C[NH2+][C@H]1CCCCC[C@H]1CN1CCN(CC[NH+](C)C)CC1 ZINC000061653807 522490922 /nfs/dbraw/zinc/49/09/22/522490922.db2.gz FOTMHYBAAFTVFT-IRXDYDNUSA-N 2 0 296.503 1.334 10 0 CDAERP CC[C@@H](CN1CCC([NH+]2CCCCC2)CC1)[NH2+]C ZINC000050179429 522529060 /nfs/dbraw/zinc/52/90/60/522529060.db2.gz UDJOZTFEOGKEQL-AWEZNQCLSA-N 2 0 253.434 1.935 10 0 CDAERP COCCC[N@H+](CCOC)Cc1ccc(C[NH3+])o1 ZINC000052543243 523253700 /nfs/dbraw/zinc/25/37/00/523253700.db2.gz XBIKYHBXPVXJHT-UHFFFAOYSA-N 2 0 256.346 1.223 10 0 CDAERP COCC[NH+](CCOC)[C@@H](C)CCC[NH2+]CC(C)C ZINC000052571464 523723649 /nfs/dbraw/zinc/72/36/49/523723649.db2.gz QDQMFLKFRHAJNK-HNNXBMFYSA-N 2 0 274.449 1.996 10 0 CDAERP COCC[N@@H+](Cc1ccnc(C[NH3+])c1)CC(C)C ZINC000068750005 523768741 /nfs/dbraw/zinc/76/87/41/523768741.db2.gz HPUWPGSNJGZLRM-UHFFFAOYSA-N 2 0 251.374 1.645 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055138636 523797221 /nfs/dbraw/zinc/79/72/21/523797221.db2.gz GTRPUTAFVBWDDC-IHRRRGAJSA-N 2 0 267.417 1.495 10 0 CDAERP CN(C(=O)[C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CCC[N@H+](C)C1 ZINC000055088140 523897051 /nfs/dbraw/zinc/89/70/51/523897051.db2.gz OODCYULOLFLBMQ-AGIUHOORSA-N 2 0 253.390 1.057 10 0 CDAERP COCC[NH2+]CCCC[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061655164 523936292 /nfs/dbraw/zinc/93/62/92/523936292.db2.gz UQPWNKQTCDUQGS-CQSZACIVSA-N 2 0 257.422 1.029 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)C[NH2+]C2CCCC2)CC1 ZINC000055078153 523947678 /nfs/dbraw/zinc/94/76/78/523947678.db2.gz NUNQLVJSMCBWLG-ZDUSSCGKSA-N 2 0 267.417 1.461 10 0 CDAERP CC[C@H](C)[NH+]1CCN([C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000055064168 523958982 /nfs/dbraw/zinc/95/89/82/523958982.db2.gz BCJPRUWAXPDRRJ-ZNMIVQPWSA-N 2 0 253.434 1.920 10 0 CDAERP C[NH+](C)C1CCN([C@@]2(C[NH3+])CCCSC2)CC1 ZINC000061590068 524040876 /nfs/dbraw/zinc/04/08/76/524040876.db2.gz YDNSPSBYJGSBCE-CYBMUJFWSA-N 2 0 257.447 1.237 10 0 CDAERP C[NH+](C)CCCOC[C@@H]1CC[C@@H](C[NH2+]C2CC2)O1 ZINC000052672651 524057942 /nfs/dbraw/zinc/05/79/42/524057942.db2.gz RXUOKDTZTMAVAP-KBPBESRZSA-N 2 0 256.390 1.254 10 0 CDAERP C[C@@H]1CCCC[C@H]1[NH2+]CCN1CCN(CC[NH+](C)C)CC1 ZINC000061655394 524173083 /nfs/dbraw/zinc/17/30/83/524173083.db2.gz OVHRLMLMEZFTRC-IAGOWNOFSA-N 2 0 296.503 1.334 10 0 CDAERP C[C@H]1CC[C@@H]([NH3+])C[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000055138524 524363746 /nfs/dbraw/zinc/36/37/46/524363746.db2.gz XAKQBAUMZRYVLK-FQUUOJAGSA-N 2 0 267.417 1.208 10 0 CDAERP C[C@@H](CC(N)=S)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062052245 524419523 /nfs/dbraw/zinc/41/95/23/524419523.db2.gz WRROCXFUIWCPPG-LBPRGKRZSA-N 2 0 269.458 1.859 10 0 CDAERP C[C@H]1C[C@H]([NH3+])CC[C@@H]1C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000061656216 524904490 /nfs/dbraw/zinc/90/44/90/524904490.db2.gz XGQMKZPPBZPJFM-DGAVXFQQSA-N 2 0 267.417 1.303 10 0 CDAERP Cc1ccccc1[C@@H](O)C[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061652712 525375517 /nfs/dbraw/zinc/37/55/17/525375517.db2.gz MXUBHJHNGSEHED-KRWDZBQOSA-N 2 0 291.439 1.208 10 0 CDAERP COc1ccc([C@H](O)C[NH2+][C@@H](C)CC[NH+](C)C)cc1 ZINC000049557325 525377547 /nfs/dbraw/zinc/37/75/47/525377547.db2.gz WVLDKHJBNZYQND-SWLSCSKDSA-N 2 0 266.385 1.658 10 0 CDAERP O=C(NCC[NH+]1CCCCC1)[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000049575461 526308176 /nfs/dbraw/zinc/30/81/76/526308176.db2.gz HSDNUVMHABMTRJ-QLFBSQMISA-N 2 0 279.428 1.509 10 0 CDAERP O=C(CC[C@H]1CCCC[NH2+]1)NCCC[NH+]1CCCC1 ZINC000050941346 526564961 /nfs/dbraw/zinc/56/49/61/526564961.db2.gz FSTSGLKMIMPIQG-CQSZACIVSA-N 2 0 267.417 1.511 10 0 CDAERP [NH3+]CCCCC[N@@H+]1CCCN(Cc2ncccn2)CC1 ZINC000054458636 527173698 /nfs/dbraw/zinc/17/36/98/527173698.db2.gz LNYHUUQSEGYNKQ-UHFFFAOYSA-N 2 0 277.416 1.113 10 0 CDAERP [NH3+]CC[C@@H]1CCC[C@H](C(=O)N[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000055145791 527193614 /nfs/dbraw/zinc/19/36/14/527193614.db2.gz IHRVWDRHBXGHHM-AEGPPILISA-N 2 0 279.428 1.352 10 0 CDAERP [NH3+]C[C@H]1CC[C@@H](CN2CC[NH+](C3CCCC3)CC2)O1 ZINC000052573511 527238851 /nfs/dbraw/zinc/23/88/51/527238851.db2.gz OUNXTZHPBZBXEX-CABCVRRESA-N 2 0 267.417 1.053 10 0 CDAERP NC(=O)C[N@H+](Cc1cc(F)ccc1C[NH3+])C1CCCC1 ZINC000069401413 527254266 /nfs/dbraw/zinc/25/42/66/527254266.db2.gz VNPQXAZTRLDQJM-UHFFFAOYSA-N 2 0 279.359 1.514 10 0 CDAERP [NH3+]Cc1ccc(F)cc1CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000069401619 527255042 /nfs/dbraw/zinc/25/50/42/527255042.db2.gz ZNWCTJWTOUOSIR-MRXNPFEDSA-N 2 0 277.387 1.955 10 0 CDAERP NNc1cc(C[N@@H+]2CCC[C@@H]2CCCO)cc[nH+]1 ZINC000052763245 527274566 /nfs/dbraw/zinc/27/45/66/527274566.db2.gz QZQKSLPKQNOQAL-GFCCVEGCSA-N 2 0 250.346 1.104 10 0 CDAERP Cc1nccn1CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000049331244 527426334 /nfs/dbraw/zinc/42/63/34/527426334.db2.gz UBFSHMNLLMRTLH-GJZGRUSLSA-N 2 0 262.401 1.656 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000418195792 535233637 /nfs/dbraw/zinc/23/36/37/535233637.db2.gz GNRRWGHMVUBLSA-MCIONIFRSA-N 2 0 284.448 1.404 10 0 CDAERP CC[NH+](CC)[C@@H](C)CNC(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000173829565 535643065 /nfs/dbraw/zinc/64/30/65/535643065.db2.gz SDHXICLFDBIXKG-LSDHHAIUSA-N 2 0 298.475 1.842 10 0 CDAERP CC[C@@H](Cn1cncn1)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000414185925 535777605 /nfs/dbraw/zinc/77/76/05/535777605.db2.gz OUGHRZIIIUKJHI-KBPBESRZSA-N 2 0 265.405 1.378 10 0 CDAERP CCc1nn(C)cc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000252784702 535828643 /nfs/dbraw/zinc/82/86/43/535828643.db2.gz UGNDLQUJGYYJHN-FVQBIDKESA-N 2 0 276.428 1.993 10 0 CDAERP CN(CC[NH+]1CCCC1)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418459526 536369540 /nfs/dbraw/zinc/36/95/40/536369540.db2.gz YNXBYYLGJUJOBD-OAHLLOKOSA-N 2 0 290.411 1.424 10 0 CDAERP COC[C@@H](O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000179699907 536730079 /nfs/dbraw/zinc/73/00/79/536730079.db2.gz KZVZSXZYQFZKSW-AWEZNQCLSA-N 2 0 258.406 1.048 10 0 CDAERP COC1CC([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)C1 ZINC000668475787 574422942 /nfs/dbraw/zinc/42/29/42/574422942.db2.gz WPIDCAMCARJEAA-HSBZDZAISA-N 2 0 257.422 1.025 10 0 CDAERP CC(C)=CC[NH+](C)CCCNC(=O)C[N@@H+](C)C(C)C ZINC001689891014 1175296132 /nfs/dbraw/zinc/29/61/32/1175296132.db2.gz MSGCRADENLKJQG-UHFFFAOYSA-N 2 0 269.433 1.731 10 0 CDAERP CC1(C)[C@H]([NH2+]CCc2cccnc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925535832 617469031 /nfs/dbraw/zinc/46/90/31/617469031.db2.gz LMSQIBVYOXXFME-QLFBSQMISA-N 2 0 259.397 1.990 10 0 CDAERP CC(C)(C)S(=O)(=O)CCN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925597587 617541383 /nfs/dbraw/zinc/54/13/83/617541383.db2.gz HQSNVKAWZODEDA-MNOVXSKESA-N 2 0 274.430 1.059 10 0 CDAERP CC1(C)[C@@H]([NH2+][C@H]2CC[C@@H](CO)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925606534 617548780 /nfs/dbraw/zinc/54/87/80/617548780.db2.gz KPHCKZHNGOKIBE-SEBNEYGDSA-N 2 0 266.429 1.904 10 0 CDAERP CC1(C)[C@H]([NH2+]C[C@]2(C)CCC(=O)N2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925686901 617676565 /nfs/dbraw/zinc/67/65/65/617676565.db2.gz ZEYPNUOAAFFCNA-ZRQNBYAXSA-N 2 0 265.401 1.021 10 0 CDAERP C[N@H+]1CC=C(C[NH2+][C@@H]2CCOC23CCOCC3)CC1 ZINC000925702532 617756238 /nfs/dbraw/zinc/75/62/38/617756238.db2.gz BCSZBHLXMGWTBV-CQSZACIVSA-N 2 0 266.385 1.176 10 0 CDAERP C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000811172376 617959257 /nfs/dbraw/zinc/95/92/57/617959257.db2.gz VRBFWPMEISFZOR-CZUORRHYSA-N 2 0 299.434 1.799 10 0 CDAERP C[N@@H+]1C[C@@H]2CN([C@H]3CCN(C4CCC4)C3=O)C[C@]2(C)C1 ZINC000933734804 617600901 /nfs/dbraw/zinc/60/09/01/617600901.db2.gz RNUIYDLGCHMPQM-INWMFGNUSA-N 2 0 277.412 1.023 10 0 CDAERP CC(C)S(=O)(=O)CC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925669201 617627042 /nfs/dbraw/zinc/62/70/42/617627042.db2.gz QMYVTFXYRARRCT-RYUDHWBXSA-N 2 0 276.446 1.305 10 0 CDAERP CCN(C)C(=O)[C@@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)C(C)C ZINC000925680973 617653585 /nfs/dbraw/zinc/65/35/85/617653585.db2.gz LUJNXFARCDUALN-XQQFMLRXSA-N 2 0 267.417 1.349 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000925808575 617749315 /nfs/dbraw/zinc/74/93/15/617749315.db2.gz YWPUUHKRTURLTB-UHFZAUJKSA-N 2 0 296.333 1.438 10 0 CDAERP [NH3+][C@H]1C[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C12CCC2 ZINC000925703156 617763562 /nfs/dbraw/zinc/76/35/62/617763562.db2.gz CUJMSJOPZQDNRX-SSHXOBKSSA-N 3 0 292.471 1.062 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCC2=CC[NH2+]CC2)C1 ZINC000925703260 617766253 /nfs/dbraw/zinc/76/62/53/617766253.db2.gz COWWVBDOKRIWME-ZIAGYGMSSA-N 3 0 251.418 1.792 10 0 CDAERP [NH3+][C@H]1C[C@@H](NCCN2CCC([NH3+])CC2)c2ccccc21 ZINC000925816081 617771107 /nfs/dbraw/zinc/77/11/07/617771107.db2.gz DLEOTVZJAOUHQS-JKSUJKDBSA-N 2 0 274.412 1.144 10 0 CDAERP CC1(C)[C@H]([NH2+]CCC[C@H]2CCC[NH2+]2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925704283 617774291 /nfs/dbraw/zinc/77/42/91/617774291.db2.gz FPZBPQPZTGXDIE-BARDWOONSA-N 3 0 265.445 1.885 10 0 CDAERP [NH3+][C@H]1C[C@H]([NH2+]CC2(C3(O)CCOCC3)CC2)C12CCC2 ZINC000925826102 617815184 /nfs/dbraw/zinc/81/51/84/617815184.db2.gz JPNMHONOOOKXHX-STQMWFEESA-N 2 0 280.412 1.168 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000925835631 617864246 /nfs/dbraw/zinc/86/42/46/617864246.db2.gz UXZCVURUDOBCSH-ZNSHCXBVSA-N 2 0 266.307 1.956 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000925835625 617864293 /nfs/dbraw/zinc/86/42/93/617864293.db2.gz UWBHMJLRKWWVMN-QJPTWQEYSA-N 2 0 298.349 1.830 10 0 CDAERP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@@H]2CCC[C@H]2[NH3+])C1 ZINC000925881623 617966361 /nfs/dbraw/zinc/96/63/61/617966361.db2.gz JYFKUMJBEXXPFH-FPCVCCKLSA-N 3 0 259.397 1.515 10 0 CDAERP NC(=O)C1(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CCCC1 ZINC000925505144 618175171 /nfs/dbraw/zinc/17/51/71/618175171.db2.gz UDIOVMLPXLOXRA-GJZGRUSLSA-N 2 0 293.455 1.790 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CC[C@@](C)(O)c1ccccc1 ZINC000817924463 618488411 /nfs/dbraw/zinc/48/84/11/618488411.db2.gz RSUFHRJOUDOSDF-HZPDHXFCSA-N 2 0 280.412 1.628 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000841848982 618720299 /nfs/dbraw/zinc/72/02/99/618720299.db2.gz ZEIBEMFMTKAMBH-NSHDSACASA-N 2 0 261.369 1.552 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2N[C@H]1CC[NH+](CC2CC2)C1 ZINC000925011885 618767636 /nfs/dbraw/zinc/76/76/36/618767636.db2.gz NOBVXOSTXNLKAD-QGPPMGRFSA-N 2 0 263.429 1.401 10 0 CDAERP COC(=O)[C@@H]1[C@@H](C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)C1(F)F ZINC000894767392 619052209 /nfs/dbraw/zinc/05/22/09/619052209.db2.gz XFKYKCXFVBBSBF-UTUOFQBUSA-N 2 0 290.354 1.361 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=[NH2+])N1CC[C@H](CC)C1 ZINC000864458455 620927082 /nfs/dbraw/zinc/92/70/82/620927082.db2.gz ZGKYLRVLBPAPMV-STQMWFEESA-N 2 0 254.422 1.973 10 0 CDAERP CC(C)[N@@H+]1CCCN(C(=O)N[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000925319516 621198233 /nfs/dbraw/zinc/19/82/33/621198233.db2.gz CGIPYMSFTXPEOF-ZIAGYGMSSA-N 2 0 282.432 1.205 10 0 CDAERP CCN1CC[NH+](CCCC[NH2+][C@@H]2CO[C@@H](C)[C@@H]2C)CC1 ZINC000924663927 621642719 /nfs/dbraw/zinc/64/27/19/621642719.db2.gz YOUUKLJAAIGQLZ-HRCADAONSA-N 2 0 283.460 1.417 10 0 CDAERP Cn1nccc1[C@H](O)C[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000927132473 621746752 /nfs/dbraw/zinc/74/67/52/621746752.db2.gz VKHSDYRDSSJTPD-VNHYZAJKSA-N 2 0 278.400 1.060 10 0 CDAERP OC1CC[NH+](CCCN[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000924757833 622294143 /nfs/dbraw/zinc/29/41/43/622294143.db2.gz WBBMORDLEUVRMS-IAGOWNOFSA-N 2 0 295.471 1.440 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C2CC(CC(N)=O)C2)[C@@H]2CCC[C@@H]21 ZINC000903253932 625929670 /nfs/dbraw/zinc/92/96/70/625929670.db2.gz PNDOJDBVIQQJKT-TYCJUYHCSA-N 2 0 265.401 1.103 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH2+]CC2(C3(O)CCOCC3)CC2)[C@H](C)C1 ZINC000903350760 625976252 /nfs/dbraw/zinc/97/62/52/625976252.db2.gz YNSBIJVIZCDVRH-HUUCEWRRSA-N 2 0 296.455 1.628 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000903461256 625996072 /nfs/dbraw/zinc/99/60/72/625996072.db2.gz QUADZMZTAIOZAW-GCSSGZNBSA-N 3 0 281.444 1.332 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000903464224 625996638 /nfs/dbraw/zinc/99/66/38/625996638.db2.gz DQHTTWNFHSBQNA-IJEWVQPXSA-N 2 0 260.381 1.995 10 0 CDAERP CCOC(=O)[C@@]1(F)C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC12CCC2 ZINC000903463967 625996858 /nfs/dbraw/zinc/99/68/58/625996858.db2.gz UTJBCSUWVDGCDG-WWGRRREGSA-N 2 0 298.402 1.871 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000903452250 626000743 /nfs/dbraw/zinc/00/07/43/626000743.db2.gz KFDZJLUWSFIKAL-SNPRPXQTSA-N 3 0 251.418 1.163 10 0 CDAERP COC(=O)CC[N@H+](CC(C)C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903454449 626001416 /nfs/dbraw/zinc/00/14/16/626001416.db2.gz CKJRAPTXWLIJPR-OLZOCXBDSA-N 2 0 256.390 1.363 10 0 CDAERP CCOC(=O)C1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903455365 626001774 /nfs/dbraw/zinc/00/17/74/626001774.db2.gz VUDVITYWUPJLDV-YPMHNXCESA-N 2 0 254.374 1.389 10 0 CDAERP COC(=O)CC[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)C[C@H]1CCCO1 ZINC000903455521 626001850 /nfs/dbraw/zinc/00/18/50/626001850.db2.gz YJBAFRGHZBFMNI-HZSPNIEDSA-N 2 0 284.400 1.158 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000903457473 626002762 /nfs/dbraw/zinc/00/27/62/626002762.db2.gz UFXVQACHXADBKP-WBTNSWJXSA-N 2 0 277.456 1.791 10 0 CDAERP CCOC(=O)CCCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903484183 626007118 /nfs/dbraw/zinc/00/71/18/626007118.db2.gz PDBQZTJIFQDKQU-CYBMUJFWSA-N 2 0 268.401 1.984 10 0 CDAERP C[C@]1(C2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)COC(=O)N1 ZINC000903564464 626020924 /nfs/dbraw/zinc/02/09/24/626020924.db2.gz WGSLFXDNCLZNJG-XJKSGUPXSA-N 2 0 295.427 1.587 10 0 CDAERP C([NH2+]C1CCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1)C1CC1 ZINC000903716891 626061430 /nfs/dbraw/zinc/06/14/30/626061430.db2.gz DHIHSSCUIGIGAR-DLBZAZTESA-N 2 0 293.455 1.219 10 0 CDAERP C([C@@H]1CC2(CO1)CC[NH2+]CC2)[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000903777995 626091051 /nfs/dbraw/zinc/09/10/51/626091051.db2.gz HYPBHDFYTYYWBH-KFWWJZLASA-N 2 0 296.480 1.830 10 0 CDAERP C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)OC1CCSCC1 ZINC000903781145 626091689 /nfs/dbraw/zinc/09/16/89/626091689.db2.gz OWZSQBPPWSUAPZ-HIFRSBDPSA-N 2 0 284.469 1.973 10 0 CDAERP C(C[N@@H+]1CC[NH2+]CCC12CCOCC2)[C@@H]1CCCCO1 ZINC000903818849 626101768 /nfs/dbraw/zinc/10/17/68/626101768.db2.gz WXWMHWJOWAZIQE-HNNXBMFYSA-N 2 0 282.428 1.790 10 0 CDAERP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000903831889 626107403 /nfs/dbraw/zinc/10/74/03/626107403.db2.gz MVHJBMTULSTKKN-BARDWOONSA-N 2 0 250.386 1.487 10 0 CDAERP C[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCCNC1=O ZINC000903888511 626123960 /nfs/dbraw/zinc/12/39/60/626123960.db2.gz DQCKRKADWOTODE-WTUNAVPPSA-N 2 0 265.401 1.118 10 0 CDAERP CCOC(=O)[C@H]1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903873328 626127340 /nfs/dbraw/zinc/12/73/40/626127340.db2.gz HCDVPDYGZLGUAZ-WIGRTHMWSA-N 2 0 280.412 1.792 10 0 CDAERP CCCC[N@H+](C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903873626 626127956 /nfs/dbraw/zinc/12/79/56/626127956.db2.gz VSMHSPFZRMCTQQ-LBPRGKRZSA-N 2 0 251.378 1.435 10 0 CDAERP CSCC[C@@H](C)[N@H+](C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903897439 626137034 /nfs/dbraw/zinc/13/70/34/626137034.db2.gz ZARMGUGAHOILEG-OLZOCXBDSA-N 2 0 297.472 1.776 10 0 CDAERP CSC[C@@H]1CCC[N@@H+]1C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903900083 626137834 /nfs/dbraw/zinc/13/78/34/626137834.db2.gz ZPEPFADBWNYMPT-HIFRSBDPSA-N 2 0 296.484 1.673 10 0 CDAERP C[N@H+](CCC[NH+]1CCCC1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903903482 626139680 /nfs/dbraw/zinc/13/96/80/626139680.db2.gz LELSYSXQUQVNOK-MQVJKMGUSA-N 3 0 265.445 1.935 10 0 CDAERP CC[C@@H]1C[C@H](C)C[N@@H+]1C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903908404 626142355 /nfs/dbraw/zinc/14/23/55/626142355.db2.gz IGXXEYVWNUZAMD-JGGQBBKZSA-N 2 0 278.444 1.966 10 0 CDAERP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@@H+](CC1CC1)C1CCC1 ZINC000903909693 626143698 /nfs/dbraw/zinc/14/36/98/626143698.db2.gz XGJDRVZZKFBIIJ-OAHLLOKOSA-N 2 0 289.427 1.967 10 0 CDAERP COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903913854 626146062 /nfs/dbraw/zinc/14/60/62/626146062.db2.gz DYTSIBSIYJXQJW-ZKXZWOTCSA-N 2 0 296.411 1.169 10 0 CDAERP C[C@H]1CN(CC23CC(C2)C[NH2+]3)CCN1c1cc[nH+]cc1 ZINC000903937717 626155673 /nfs/dbraw/zinc/15/56/73/626155673.db2.gz QHBCPCULOCACHX-HLIUYOAVSA-N 2 0 272.396 1.344 10 0 CDAERP C[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCC[NH2+]C1 ZINC000903918311 626157354 /nfs/dbraw/zinc/15/73/54/626157354.db2.gz WOZGHEKJEDGHBH-AILVEWFUSA-N 3 0 251.418 1.495 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000903975075 626169274 /nfs/dbraw/zinc/16/92/74/626169274.db2.gz WKIXNAWZMGJIQB-VXGBXAGGSA-N 2 0 278.400 1.052 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000903966819 626172198 /nfs/dbraw/zinc/17/21/98/626172198.db2.gz CNRWSUNWIJENAZ-NZEXEKPDSA-N 2 0 272.483 1.811 10 0 CDAERP C[C@@H](CNC(=[NH2+])NC[C@H]1CCCS1)[NH+]1CCCCC1 ZINC000905041621 626380952 /nfs/dbraw/zinc/38/09/52/626380952.db2.gz JNBQUAYNVXNFKC-QWHCGFSZSA-N 2 0 284.473 1.870 10 0 CDAERP [NH3+]Cc1ccc(-c2nc(CC3CC[NH2+]CC3)no2)cc1 ZINC000905317099 626746350 /nfs/dbraw/zinc/74/63/50/626746350.db2.gz FZYAANXJELSPPW-UHFFFAOYSA-N 2 0 272.352 1.737 10 0 CDAERP C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)C[C@H]2C1 ZINC000907804464 627830408 /nfs/dbraw/zinc/83/04/08/627830408.db2.gz FZINBKKCSXUIFB-LJISPDSOSA-N 2 0 277.412 1.023 10 0 CDAERP O=C(NCC1CC[NH+](C2CC2)CC1)C12CC[NH+](CC1)C2 ZINC000907781835 627833481 /nfs/dbraw/zinc/83/34/81/627833481.db2.gz BFKPFKKKFXPKBR-UHFFFAOYSA-N 2 0 277.412 1.073 10 0 CDAERP C([C@H]1CCC2(COC2)O1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000929685349 630706871 /nfs/dbraw/zinc/70/68/71/630706871.db2.gz ADLBHYGIUSPYJP-HZPDHXFCSA-N 2 0 294.439 1.885 10 0 CDAERP C[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000914074208 631008610 /nfs/dbraw/zinc/00/86/10/631008610.db2.gz AGBDUIBEBMPWFP-TUVASFSCSA-N 2 0 296.459 1.499 10 0 CDAERP C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)Cc1cnc[nH]1 ZINC000914441171 631479784 /nfs/dbraw/zinc/47/97/84/631479784.db2.gz DIKZIIUYQWEKBH-OCCSQVGLSA-N 2 0 278.400 1.674 10 0 CDAERP CCOCC[N@H+](C)CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001690988685 1158515917 /nfs/dbraw/zinc/51/59/17/1158515917.db2.gz NWVJTYDAPCKWJZ-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]1CC=C(C)C ZINC001670707071 1158701410 /nfs/dbraw/zinc/70/14/10/1158701410.db2.gz JUXUVIRJOXGNAR-CQSZACIVSA-N 2 0 267.417 1.485 10 0 CDAERP c1cnc(C2([NH2+]CC[C@@H]3CC[NH2+]C3)CCOCC2)nc1 ZINC001772529206 1158718176 /nfs/dbraw/zinc/71/81/76/1158718176.db2.gz XWTCLMJFVNBNIP-ZDUSSCGKSA-N 2 0 276.384 1.072 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001266685553 1158761030 /nfs/dbraw/zinc/76/10/30/1158761030.db2.gz HXLWEOCQBRBCID-OWCLPIDISA-N 2 0 293.455 1.755 10 0 CDAERP CC[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001691184111 1158950413 /nfs/dbraw/zinc/95/04/13/1158950413.db2.gz AJVSMCSULLRRBK-AAVRWANBSA-N 2 0 267.417 1.364 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)CC[NH2+]CCC1CC1)[NH+]1CCCC1 ZINC001267475097 1159404576 /nfs/dbraw/zinc/40/45/76/1159404576.db2.gz XCHLKWQYWASMNJ-INIZCTEOSA-N 2 0 295.471 1.955 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001483583441 1160951027 /nfs/dbraw/zinc/95/10/27/1160951027.db2.gz PKRVBGBEPZHWBG-UBHSHLNASA-N 2 0 267.417 1.221 10 0 CDAERP CC(C)=CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001700823665 1161004161 /nfs/dbraw/zinc/00/41/61/1161004161.db2.gz YZEQCELXQLUVGR-HUUCEWRRSA-N 2 0 293.455 1.873 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]CC[C@H](C)F)C1 ZINC001485706719 1161280802 /nfs/dbraw/zinc/28/08/02/1161280802.db2.gz NNMYSZIATQSSRX-IHRRRGAJSA-N 2 0 287.423 1.559 10 0 CDAERP CC(C)(C)[NH2+]CCNC(=O)[C@@H]1CCN(c2cc[nH+]cc2)C1 ZINC001638372152 1166841881 /nfs/dbraw/zinc/84/18/81/1166841881.db2.gz WDKKKJSNIRMXJH-CYBMUJFWSA-N 2 0 290.411 1.412 10 0 CDAERP CCOCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001568368406 1168109358 /nfs/dbraw/zinc/10/93/58/1168109358.db2.gz MGLQVMHXRMAUOQ-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCCCC[C@@H]([NH2+]CC)C1 ZINC001566076211 1168228708 /nfs/dbraw/zinc/22/87/08/1168228708.db2.gz TUFHRGFQGUAQBB-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001567152853 1168597852 /nfs/dbraw/zinc/59/78/52/1168597852.db2.gz CIOCINJHXFGYDC-KGLIPLIRSA-N 2 0 267.417 1.032 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@H](C[NH2+]CCCF)C2CC2)CCC1 ZINC001569306927 1169756790 /nfs/dbraw/zinc/75/67/90/1169756790.db2.gz XXCYADXLHBKOIX-CYBMUJFWSA-N 2 0 285.407 1.315 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]CCC(C)C ZINC001569562160 1169925808 /nfs/dbraw/zinc/92/58/08/1169925808.db2.gz GGNRIUSYZWOIBH-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[N@H+](C)CC(=O)NCC1([NH2+]CC=C(C)C)CCC1 ZINC001570122955 1170087646 /nfs/dbraw/zinc/08/76/46/1170087646.db2.gz DVLAPUPJWQCCCK-UHFFFAOYSA-N 2 0 281.444 1.923 10 0 CDAERP CCCC[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001570653571 1170224598 /nfs/dbraw/zinc/22/45/98/1170224598.db2.gz SVBATJPEQVGCPJ-CHWSQXEVSA-N 2 0 257.422 1.610 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@H]2C[NH+](C)CC2(C)C)CC[N@@H+]1C ZINC001652491465 1171442288 /nfs/dbraw/zinc/44/22/88/1171442288.db2.gz JRFNKKNLVOVQMM-AVGNSLFASA-N 2 0 267.417 1.173 10 0 CDAERP C[N@@H+]1C[C@]23C[NH+](C[C@@H]4CCOC4)C[C@@]2(C1)CCCC3 ZINC001660700356 1172259889 /nfs/dbraw/zinc/25/98/89/1172259889.db2.gz GPGRUSGRGGLXLH-HRCADAONSA-N 2 0 264.413 1.831 10 0 CDAERP CC(C)[NH2+][C@H](CNC(=O)C[N@H+](C)C(C)C)C1CC1 ZINC001661193184 1172351715 /nfs/dbraw/zinc/35/17/15/1172351715.db2.gz SEEHBXHKKCSYFL-CYBMUJFWSA-N 2 0 255.406 1.219 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CN(C)CCO1)[NH2+]CCCC(C)(C)C ZINC001662190899 1172502664 /nfs/dbraw/zinc/50/26/64/1172502664.db2.gz YIHDXMRQPGUXCU-KGLIPLIRSA-N 2 0 299.459 1.238 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)CC1 ZINC001673406792 1172595800 /nfs/dbraw/zinc/59/58/00/1172595800.db2.gz JJKIJYAIOOZOSG-CQSZACIVSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)NCC(C)(C)[NH+](C)C)C1 ZINC001586821048 1172960928 /nfs/dbraw/zinc/96/09/28/1172960928.db2.gz ZTOYWLHIPVMZPU-ZDUSSCGKSA-N 2 0 269.433 1.563 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]CCCF ZINC001666476387 1173139209 /nfs/dbraw/zinc/13/92/09/1173139209.db2.gz XTIFQVDTAZOFTI-CYBMUJFWSA-N 2 0 273.396 1.268 10 0 CDAERP C[C@@H](CC[NH2+]CCC1CC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001668278836 1173391758 /nfs/dbraw/zinc/39/17/58/1173391758.db2.gz LVTKPNAXFFFCJC-ZDUSSCGKSA-N 2 0 279.428 1.367 10 0 CDAERP CCCC[NH2+]C/C=C\CNC(=O)C[NH+]1CCC(C)CC1 ZINC001669106456 1173506050 /nfs/dbraw/zinc/50/60/50/1173506050.db2.gz GMOQSZVMODEIEP-WAYWQWQTSA-N 2 0 281.444 1.780 10 0 CDAERP CC(C)=CC[NH2+]C[C@]1(C)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001671809552 1173713913 /nfs/dbraw/zinc/71/39/13/1173713913.db2.gz GAULCUMHRZWEDD-KRWDZBQOSA-N 2 0 293.455 1.877 10 0 CDAERP COCCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001674152885 1173920602 /nfs/dbraw/zinc/92/06/02/1173920602.db2.gz CWWDCWXZULQFEM-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CC1CC1 ZINC001674780177 1174009608 /nfs/dbraw/zinc/00/96/08/1174009608.db2.gz KMYVTLUWPZMMCR-NWDGAFQWSA-N 2 0 255.406 1.219 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001690433768 1175470117 /nfs/dbraw/zinc/47/01/17/1175470117.db2.gz ISVZPVQEWDFLOA-CVEARBPZSA-N 2 0 295.471 1.812 10 0 CDAERP CC(C)OCCC[NH2+][C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001690618295 1175525475 /nfs/dbraw/zinc/52/54/75/1175525475.db2.gz XFBAFPJNEICDMV-AWEZNQCLSA-N 2 0 299.459 1.238 10 0 CDAERP C[C@@H]1[C@H](C(=O)NCCC[C@H]2CCC[NH+]2CCF)CC[N@@H+]1C ZINC001690896648 1175605323 /nfs/dbraw/zinc/60/53/23/1175605323.db2.gz DFDAIZQHEKDRQK-QLFBSQMISA-N 2 0 299.434 1.657 10 0 CDAERP C[C@@H](C[NH2+]CC[C@@H]1CCCCO1)N(C)C(=O)CC[NH+](C)C ZINC001698845416 1175960529 /nfs/dbraw/zinc/96/05/29/1175960529.db2.gz XXOHJYDLNWJNCR-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@H](CC[NH2+]CCC1CC1)NC(=O)C1([NH+](C)C)CCC1 ZINC001699105582 1176095246 /nfs/dbraw/zinc/09/52/46/1176095246.db2.gz HTLCVVXUBPTLAJ-CYBMUJFWSA-N 2 0 281.444 1.755 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N(CC)CC[NH2+]CC)C1 ZINC001699199266 1176135651 /nfs/dbraw/zinc/13/56/51/1176135651.db2.gz JQKMZJIDWOGCOA-AWEZNQCLSA-N 2 0 269.433 1.566 10 0 CDAERP CCN(CC[NH2+]CC1CC1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001699204329 1176139033 /nfs/dbraw/zinc/13/90/33/1176139033.db2.gz GBTFLGDUQLFCNI-CYBMUJFWSA-N 2 0 267.417 1.176 10 0 CDAERP Cc1ccncc1C[NH2+]C/C=C/CNC(=O)CC[NH+](C)C ZINC001699299715 1176208266 /nfs/dbraw/zinc/20/82/66/1176208266.db2.gz PCDPMWIMZVHGCS-SNAWJCMRSA-N 2 0 290.411 1.104 10 0 CDAERP C[N@H+](CC(=O)N[C@@H](C[NH2+]C/C=C\Cl)C1CC1)C1CCC1 ZINC001699580238 1176483334 /nfs/dbraw/zinc/48/33/34/1176483334.db2.gz VINIPGTZNAYTQH-FCIQKIPGSA-N 2 0 299.846 1.708 10 0 CDAERP CCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001699970029 1176701808 /nfs/dbraw/zinc/70/18/08/1176701808.db2.gz OCZJYWJMGFVDIU-JKSUJKDBSA-N 2 0 295.471 1.957 10 0 CDAERP C[N@H+](CC(=O)NC1CC(C[NH2+]CCF)C1)CC(C)(C)C ZINC001700395669 1176902432 /nfs/dbraw/zinc/90/24/32/1176902432.db2.gz OFDYCDBZBSHVGZ-UHFFFAOYSA-N 2 0 287.423 1.418 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)[NH2+]C(C)C ZINC001700424043 1176920948 /nfs/dbraw/zinc/92/09/48/1176920948.db2.gz BNEPSWNSIFLJOE-OLZOCXBDSA-N 2 0 257.422 1.610 10 0 CDAERP CC(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001700644811 1177053581 /nfs/dbraw/zinc/05/35/81/1177053581.db2.gz VFNBEOKEGSPBHP-IHRRRGAJSA-N 2 0 267.417 1.079 10 0 CDAERP CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001700661952 1177064927 /nfs/dbraw/zinc/06/49/27/1177064927.db2.gz KOOIQPIFWIXNHV-TZMCWYRMSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@@H]1[C@@H]([NH2+]CCF)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC001700859647 1177169600 /nfs/dbraw/zinc/16/96/00/1177169600.db2.gz OWPYTSNUDTXZCW-CABCVRRESA-N 2 0 299.434 1.801 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C[NH2+]CCCF)C1 ZINC001700902632 1177188981 /nfs/dbraw/zinc/18/89/81/1177188981.db2.gz QLHVUFZTRBIZJT-QWHCGFSZSA-N 2 0 273.396 1.172 10 0 CDAERP CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001707275362 1177988297 /nfs/dbraw/zinc/98/82/97/1177988297.db2.gz NSMZIULVXUTBEV-AWEZNQCLSA-N 2 0 269.433 1.661 10 0 CDAERP C[NH+](C)CCC(=O)NCCC[N@H+](C)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001712969240 1178276433 /nfs/dbraw/zinc/27/64/33/1178276433.db2.gz SHCTVSXGBXSPOT-OWCLPIDISA-N 2 0 295.471 1.812 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001713453148 1178573158 /nfs/dbraw/zinc/57/31/58/1178573158.db2.gz QDGZBCGIOOAUFI-AWEZNQCLSA-N 2 0 267.417 1.176 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]([NH2+]CC1CCC1)C1CC1 ZINC001713875906 1178808130 /nfs/dbraw/zinc/80/81/30/1178808130.db2.gz KFKJRXLWYPYTOX-AWEZNQCLSA-N 2 0 267.417 1.223 10 0 CDAERP CCC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001713986721 1178909388 /nfs/dbraw/zinc/90/93/88/1178909388.db2.gz OMXWCINCNGWYAF-DOOVEFGSSA-N 2 0 293.455 1.875 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001714016132 1178928742 /nfs/dbraw/zinc/92/87/42/1178928742.db2.gz BTNVLYNBLIWQHE-OKILXGFUSA-N 2 0 279.428 1.509 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001714018302 1178930430 /nfs/dbraw/zinc/93/04/30/1178930430.db2.gz PBKKOGHBYNTEJS-MCIONIFRSA-N 2 0 265.401 1.141 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC=C(C)C ZINC001714071352 1178960373 /nfs/dbraw/zinc/96/03/73/1178960373.db2.gz ASYYGADKSLTKLR-RBSFLKMASA-N 2 0 281.444 1.777 10 0 CDAERP CC(C)CCC[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001714303867 1179076033 /nfs/dbraw/zinc/07/60/33/1179076033.db2.gz BVIWDPVPEYNWRI-ZIAGYGMSSA-N 2 0 269.433 1.469 10 0 CDAERP COCC[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001714308632 1179078694 /nfs/dbraw/zinc/07/86/94/1179078694.db2.gz GQISZFYPEKYXNH-CABCVRRESA-N 2 0 299.459 1.238 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+]CC[C@H](C)F)C1 ZINC001714374911 1179110933 /nfs/dbraw/zinc/11/09/33/1179110933.db2.gz PZCWIDKUOYGMSQ-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP CCCCC[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001714483032 1179162938 /nfs/dbraw/zinc/16/29/38/1179162938.db2.gz ADZDKJQCIMJNRH-HNNXBMFYSA-N 2 0 299.459 1.334 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001715033463 1179518501 /nfs/dbraw/zinc/51/85/01/1179518501.db2.gz WREPFOWVDCTARF-HNNXBMFYSA-N 2 0 297.443 1.042 10 0 CDAERP CCCC[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001715192055 1179573100 /nfs/dbraw/zinc/57/31/00/1179573100.db2.gz VDLIBXKEZFTYGH-SHTZXODSSA-N 2 0 281.444 1.899 10 0 CDAERP CC(C)[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCCF ZINC001715595427 1179728770 /nfs/dbraw/zinc/72/87/70/1179728770.db2.gz KOIXUUBXAMYBAT-ZIAGYGMSSA-N 2 0 287.423 1.561 10 0 CDAERP CC(C)C[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001715729013 1179782632 /nfs/dbraw/zinc/78/26/32/1179782632.db2.gz LGYMZQHSBZRPIX-KBPBESRZSA-N 2 0 269.433 1.325 10 0 CDAERP CCN(CC[NH2+]CC1CC1)C(=O)C12CCC[NH+](CCC1)C2 ZINC001715740127 1179786025 /nfs/dbraw/zinc/78/60/25/1179786025.db2.gz HQDWLBZAZRXBIC-UHFFFAOYSA-N 2 0 293.455 1.711 10 0 CDAERP C[C@H](C[NH2+]CCC1=CCCCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001716423388 1180197478 /nfs/dbraw/zinc/19/74/78/1180197478.db2.gz PZBJNADAVWIMIE-ZBFHGGJFSA-N 2 0 293.455 1.923 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)C1C[NH+](CC2CCC2)C1 ZINC001716753798 1180401464 /nfs/dbraw/zinc/40/14/64/1180401464.db2.gz RGEADHXNRXVEFS-UHFFFAOYSA-N 2 0 267.417 1.269 10 0 CDAERP CC(C)[C@@H](C(=O)N1CC[C@](C)(C[NH2+]CCF)C1)[NH+](C)C ZINC001716866357 1180446926 /nfs/dbraw/zinc/44/69/26/1180446926.db2.gz AJKQRFSCMTWQDK-DZGCQCFKSA-N 2 0 287.423 1.370 10 0 CDAERP CCOCC[N@@H+]1CCC[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001716899416 1180458566 /nfs/dbraw/zinc/45/85/66/1180458566.db2.gz MAJUTRRFKKDWEP-MRXNPFEDSA-N 2 0 299.459 1.193 10 0 CDAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]CCC1CC1 ZINC001716990887 1180495358 /nfs/dbraw/zinc/49/53/58/1180495358.db2.gz QMALIKZEWZTPQK-HIFRSBDPSA-N 2 0 281.444 1.422 10 0 CDAERP CCCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CC[N@H+](C)CC)CCO1 ZINC001717618634 1180761449 /nfs/dbraw/zinc/76/14/49/1180761449.db2.gz KYXVWDASBZJZBA-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)(C(=O)N[C@H]1C[C@H](C[NH2+]CCCF)C1)[NH+]1CCCC1 ZINC001717645559 1180772246 /nfs/dbraw/zinc/77/22/46/1180772246.db2.gz DAMIRTUUEFOKIC-HDJSIYSDSA-N 2 0 299.434 1.705 10 0 CDAERP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]CCOC1CCC1 ZINC001717754544 1180832029 /nfs/dbraw/zinc/83/20/29/1180832029.db2.gz OVPRTCBEWKMLMI-CQSZACIVSA-N 2 0 297.443 1.088 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C[NH2+]CCC2CC2)C1 ZINC001717879499 1180909550 /nfs/dbraw/zinc/90/95/50/1180909550.db2.gz PZNLWGGTVNSIHY-CABCVRRESA-N 2 0 281.444 1.613 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N(C)CCC[NH2+]C/C=C/Cl)C1 ZINC001723123298 1181519280 /nfs/dbraw/zinc/51/92/80/1181519280.db2.gz LNSDYZCHGFVAGW-YIALFULDSA-N 2 0 287.835 1.519 10 0 CDAERP CC[NH+]1CCC(C)(NC(=O)CCCC[NH+](C)C)CC1 ZINC001724024386 1181629962 /nfs/dbraw/zinc/62/99/62/1181629962.db2.gz ZUANNUAHCLFRRH-UHFFFAOYSA-N 2 0 269.433 1.709 10 0 CDAERP C[N@H+](CC(=O)N1CC[C@H](CC[NH2+]CCCF)C1)C1CCC1 ZINC001724717327 1181732724 /nfs/dbraw/zinc/73/27/24/1181732724.db2.gz VNAFRMQIVSOIIN-AWEZNQCLSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)=CC[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CCC1 ZINC001724798552 1181756703 /nfs/dbraw/zinc/75/67/03/1181756703.db2.gz KBCNQONVCGEUPL-UHFFFAOYSA-N 2 0 291.439 1.677 10 0 CDAERP CC(C)[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001725127895 1181875429 /nfs/dbraw/zinc/87/54/29/1181875429.db2.gz GNLUSANHTWVMLJ-STQMWFEESA-N 2 0 269.433 1.752 10 0 CDAERP CC[NH2+][C@H](C)[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001725128813 1181876758 /nfs/dbraw/zinc/87/67/58/1181876758.db2.gz NATOPWPULVLAAF-CHWSQXEVSA-N 2 0 255.406 1.365 10 0 CDAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[N@H+](C)CCCCCF ZINC001725190553 1181915080 /nfs/dbraw/zinc/91/50/80/1181915080.db2.gz ZZAWJARTKQJCHZ-AWEZNQCLSA-N 2 0 299.434 1.659 10 0 CDAERP CC[NH2+]CCC[C@@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001725385219 1181983695 /nfs/dbraw/zinc/98/36/95/1181983695.db2.gz BDEUREUGDJUZJA-KGLIPLIRSA-N 2 0 269.433 1.755 10 0 CDAERP C[NH+](C)CCC(=O)NCC1=CC[N@H+](CCC2CC2)CC1 ZINC001725828305 1182144032 /nfs/dbraw/zinc/14/40/32/1182144032.db2.gz RORCODRICBBJRM-UHFFFAOYSA-N 2 0 279.428 1.487 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2=CC[NH+](CCCF)CC2)C1 ZINC001725830238 1182145311 /nfs/dbraw/zinc/14/53/11/1182145311.db2.gz XERSQDRJEKSBIQ-HNNXBMFYSA-N 2 0 297.418 1.436 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H]1CCCC[C@H]1[NH3+])C1CC1 ZINC000300407228 1182223554 /nfs/dbraw/zinc/22/35/54/1182223554.db2.gz INGHTBLGURAFCJ-CHWSQXEVSA-N 2 0 253.390 1.104 10 0 CDAERP CCC[N@H+](CC)CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001731323515 1182318444 /nfs/dbraw/zinc/31/84/44/1182318444.db2.gz ZHCOGSLBFGWHAA-AWEZNQCLSA-N 2 0 269.433 1.566 10 0 CDAERP O=C(CC[NH+]1CCCCC1)N1CC[C@H]([NH2+]CCCF)C1 ZINC001731436697 1182383120 /nfs/dbraw/zinc/38/31/20/1182383120.db2.gz OLRCLJHGRJRPHE-AWEZNQCLSA-N 2 0 285.407 1.413 10 0 CDAERP CC/C=C/CC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001731492150 1182417380 /nfs/dbraw/zinc/41/73/80/1182417380.db2.gz SLPRTVXVPHFUBD-MRINAFOASA-N 2 0 279.428 1.675 10 0 CDAERP CCCC[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001731987207 1182715566 /nfs/dbraw/zinc/71/55/66/1182715566.db2.gz AVLXJXNVYCCYBK-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CC1 ZINC001732147578 1182804773 /nfs/dbraw/zinc/80/47/73/1182804773.db2.gz RHUQMRDBARRYES-KBPBESRZSA-N 2 0 265.401 1.023 10 0 CDAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCC1CC1 ZINC001732225142 1182869410 /nfs/dbraw/zinc/86/94/10/1182869410.db2.gz XTDFYEANRMBOCU-KBPBESRZSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@@H](C[NH2+]CCC1CC1)N(C)C(=O)C[NH+]1CCCC1 ZINC001732453692 1182974054 /nfs/dbraw/zinc/97/40/54/1182974054.db2.gz HIJGDJAETJHCDB-ZDUSSCGKSA-N 2 0 267.417 1.319 10 0 CDAERP CC[C@H](F)C[NH2+]CC[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001732702932 1183093776 /nfs/dbraw/zinc/09/37/76/1183093776.db2.gz QZWOMLQPSQTOMH-OLZOCXBDSA-N 2 0 287.423 1.703 10 0 CDAERP CC(C)CC[NH2+]CC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001732745933 1183106069 /nfs/dbraw/zinc/10/60/69/1183106069.db2.gz KUSOMGKCLGJTCF-GJZGRUSLSA-N 2 0 283.460 1.859 10 0 CDAERP CCC(CC)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001732836003 1183150983 /nfs/dbraw/zinc/15/09/83/1183150983.db2.gz QGQGKWRAARBPGW-LFAOLKIESA-N 2 0 281.444 1.779 10 0 CDAERP C[C@H](C[NH2+]Cc1ccnc(Cl)c1)NC(=O)CC[NH+](C)C ZINC001732967555 1183209528 /nfs/dbraw/zinc/20/95/28/1183209528.db2.gz ALEYTENMQRXUCB-LLVKDONJSA-N 2 0 298.818 1.281 10 0 CDAERP CN(CCC[NH2+]CCC1CC1)C(=O)C12CC[NH+](CC1)C2 ZINC001733142927 1183305344 /nfs/dbraw/zinc/30/53/44/1183305344.db2.gz KYNRPRMWQRHSEE-UHFFFAOYSA-N 2 0 279.428 1.320 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001733222078 1183349755 /nfs/dbraw/zinc/34/97/55/1183349755.db2.gz JSBSVZWQHSSAGZ-CYBMUJFWSA-N 2 0 255.406 1.319 10 0 CDAERP CC[NH2+]CC[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001733674742 1183494164 /nfs/dbraw/zinc/49/41/64/1183494164.db2.gz UJWSEEDYLQCGRI-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP CCCCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001733857306 1183552421 /nfs/dbraw/zinc/55/24/21/1183552421.db2.gz IVLRCUQUMAOBDL-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)OCCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001734063684 1183644080 /nfs/dbraw/zinc/64/40/80/1183644080.db2.gz BCSASEORMKJUPE-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C[NH2+]C(C)C)C(C)(C)C)[NH+](C)C ZINC001426146803 957709867 /nfs/dbraw/zinc/70/98/67/957709867.db2.gz FHUKTMSSHTTYLK-OLZOCXBDSA-N 2 0 271.449 1.856 10 0 CDAERP COC[C@H](C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)C(C)C ZINC000721959802 776774579 /nfs/dbraw/zinc/77/45/79/776774579.db2.gz IEIKBDNSSOKDMJ-KKUMJFAQSA-N 2 0 254.418 1.966 10 0 CDAERP CC(C)C[C@H](CNC1=[NH+]CCCCN1)[NH+]1CCCC1 ZINC000849214939 778752847 /nfs/dbraw/zinc/75/28/47/778752847.db2.gz DGZCMJRZYOTHAS-CQSZACIVSA-N 2 0 266.433 1.826 10 0 CDAERP C[NH+]1C[C@]2(C)CN(CCOCC(F)F)C[C@@]2(C)C1 ZINC000931315706 773768965 /nfs/dbraw/zinc/76/89/65/773768965.db2.gz ZIKMEMIXHYMJQZ-CHWSQXEVSA-N 2 0 262.344 1.542 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)OC(=O)CN(C)[C@H]1CCSC1 ZINC000870568994 773783769 /nfs/dbraw/zinc/78/37/69/773783769.db2.gz LQVZEZHXNQRKHC-QWHCGFSZSA-N 2 0 288.457 1.553 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCCCCCC[NH+](C)C ZINC000861565661 773807536 /nfs/dbraw/zinc/80/75/36/773807536.db2.gz CMXFGHKBWYIAHW-UONOGXRCSA-N 2 0 284.448 1.548 10 0 CDAERP COC[C@H]1C[N@H+](Cc2cccnc2)CC12CC[NH2+]CC2 ZINC000169789815 773821816 /nfs/dbraw/zinc/82/18/16/773821816.db2.gz BKQJRGDAWQZHBY-OAHLLOKOSA-N 2 0 275.396 1.530 10 0 CDAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CCOCC(F)F)CC2 ZINC000923451976 773856429 /nfs/dbraw/zinc/85/64/29/773856429.db2.gz RIPXNDRQELRNSD-LLVKDONJSA-N 2 0 278.343 1.098 10 0 CDAERP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925726939 773886236 /nfs/dbraw/zinc/88/62/36/773886236.db2.gz MBWTWJNIEQSLQX-PMOUVXMZSA-N 3 0 251.418 1.482 10 0 CDAERP Cc1noc([C@H](C)ONC(=[NH2+])[C@@H]2CN(C(C)C)CCO2)n1 ZINC000779656309 773898987 /nfs/dbraw/zinc/89/89/87/773898987.db2.gz XHNSWTADRJMDFZ-ONGXEEELSA-N 2 0 297.359 1.047 10 0 CDAERP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)C(C)(C)CO ZINC000926309135 773913726 /nfs/dbraw/zinc/91/37/26/773913726.db2.gz QDYSEORVNLQWDU-GFCCVEGCSA-N 2 0 254.418 1.857 10 0 CDAERP CCC[NH+]1CCC(NC(=O)C(C)(C)[C@@H]([NH3+])C(C)C)CC1 ZINC000713007783 773946273 /nfs/dbraw/zinc/94/62/73/773946273.db2.gz HQMATCIFTATRJB-AWEZNQCLSA-N 2 0 283.460 1.987 10 0 CDAERP [NH3+]CCCCCCC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000843382432 773979097 /nfs/dbraw/zinc/97/90/97/773979097.db2.gz PXLPGXKCTPTQTN-OAHLLOKOSA-N 3 0 253.434 1.971 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](O)COc2cccc(F)c2)C12CCC2 ZINC000925502951 774037203 /nfs/dbraw/zinc/03/72/03/774037203.db2.gz MFILODLOVQEFMK-CFVMTHIKSA-N 2 0 294.370 1.425 10 0 CDAERP CSC[C@@H](O)C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000923428197 774045705 /nfs/dbraw/zinc/04/57/05/774045705.db2.gz NISJJNYZKFWPEG-QWHCGFSZSA-N 2 0 258.431 1.176 10 0 CDAERP CC[C@H](CCO)[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925622665 774066110 /nfs/dbraw/zinc/06/61/10/774066110.db2.gz MGVFTCRKDDXZLG-QLFBSQMISA-N 2 0 254.418 1.905 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCn3nc(C(F)(F)F)cc3C2)C1 ZINC000923444651 774112040 /nfs/dbraw/zinc/11/20/40/774112040.db2.gz BIRQKGKRJSCYJL-VHSXEESVSA-N 2 0 288.317 1.845 10 0 CDAERP FC(F)Oc1ccc(CN2CC[NH2+]CC[NH2+]CC2)cc1 ZINC000923460222 774161285 /nfs/dbraw/zinc/16/12/85/774161285.db2.gz DSQKTQOYZWFFRV-UHFFFAOYSA-N 2 0 285.338 1.283 10 0 CDAERP CC(C)(C[NH3+])C1CC[NH+](CCCS(C)(=O)=O)CC1 ZINC000714416765 774289848 /nfs/dbraw/zinc/28/98/48/774289848.db2.gz GEOPDQGIQLXBCU-UHFFFAOYSA-N 2 0 276.446 1.118 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@](C)(O)c1ccccc1 ZINC000817914052 774308243 /nfs/dbraw/zinc/30/82/43/774308243.db2.gz TUQGDCHMZYLEHO-CABCVRRESA-N 2 0 266.385 1.238 10 0 CDAERP C(C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)O[C@@H]1CCOC1 ZINC000930061241 774313829 /nfs/dbraw/zinc/31/38/29/774313829.db2.gz PNEVSWAVTIZRBS-OIISXLGYSA-N 2 0 294.439 1.741 10 0 CDAERP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)[C@@H]1CCOC1 ZINC000925782015 774323348 /nfs/dbraw/zinc/32/33/48/774323348.db2.gz JUSXWXWWSPDVIZ-UTUOFQBUSA-N 2 0 262.344 1.636 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000813507659 774367192 /nfs/dbraw/zinc/36/71/92/774367192.db2.gz QFDPXLJBYWXJPF-HNNXBMFYSA-N 2 0 287.423 1.609 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+]CC(C)(C)CS(C)(=O)=O ZINC000723878158 774378522 /nfs/dbraw/zinc/37/85/22/774378522.db2.gz FSLOSDVBHHVMMZ-NSHDSACASA-N 2 0 264.435 1.164 10 0 CDAERP CC1(C)[C@H]([NH3+])C[C@@H]1c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871801365 774386279 /nfs/dbraw/zinc/38/62/79/774386279.db2.gz RFKVSBPSIYEPLA-UPUXHGCUSA-N 2 0 276.384 1.908 10 0 CDAERP COC(=O)N1CCC(C[NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925673509 774435981 /nfs/dbraw/zinc/43/59/81/774435981.db2.gz YAJUMOZMNRYSTK-ZDUSSCGKSA-N 2 0 281.400 1.339 10 0 CDAERP CC(C)OC[C@@H](O)C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000872204330 774495047 /nfs/dbraw/zinc/49/50/47/774495047.db2.gz NYQLVNGJBBMQRE-KBPBESRZSA-N 2 0 274.449 1.728 10 0 CDAERP COC[C@H](CC(C)C)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925854844 774516512 /nfs/dbraw/zinc/51/65/12/774516512.db2.gz NXHKHSZSUPAYFA-KBPBESRZSA-N 2 0 298.427 1.322 10 0 CDAERP C[C@@H](CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH+](C)C ZINC000855417704 774721709 /nfs/dbraw/zinc/72/17/09/774721709.db2.gz NIZMRJZFOGSRKE-WFASDCNBSA-N 2 0 287.423 1.655 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)NCC(C)(C)C)CC[C@H]1C[NH3+] ZINC000923487782 774805436 /nfs/dbraw/zinc/80/54/36/774805436.db2.gz BNGKTHQRPKNOQH-NEPJUHHUSA-N 2 0 255.406 1.065 10 0 CDAERP C[C@@H]1CC[C@H]([NH2+]CCN2CCC([NH3+])CC2)C[C@H]1C ZINC000925809900 774806066 /nfs/dbraw/zinc/80/60/66/774806066.db2.gz CAVYOYVILDUDJI-NFAWXSAZSA-N 2 0 253.434 1.824 10 0 CDAERP NC(=O)CC1([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000921970247 774856246 /nfs/dbraw/zinc/85/62/46/774856246.db2.gz KCHDESNJTICYTJ-NEPJUHHUSA-N 2 0 251.374 1.001 10 0 CDAERP CC(C)COC(=O)N1CCC([NH2+]CCC2(C[NH3+])CC2)CC1 ZINC000844903868 774876389 /nfs/dbraw/zinc/87/63/89/774876389.db2.gz QIHVFOSGESTCQF-UHFFFAOYSA-N 2 0 297.443 1.962 10 0 CDAERP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1NC1C[C@H]3CC[C@@H](C1)[N@H+]3C)[NH2+]2 ZINC000709380724 774889503 /nfs/dbraw/zinc/88/95/03/774889503.db2.gz DLSMPLUCDBQRAF-XJASGKNXSA-N 2 0 263.429 1.730 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000852927090 774916267 /nfs/dbraw/zinc/91/62/67/774916267.db2.gz JPCVFCPORMEGSV-MRXNPFEDSA-N 2 0 291.439 1.534 10 0 CDAERP CN(C[C@@H]1CCC[N@@H+]1C)N1CCCCC[C@@H]([NH3+])C1 ZINC000868392288 774991309 /nfs/dbraw/zinc/99/13/09/774991309.db2.gz WXDUJRDFHCRJTR-KGLIPLIRSA-N 2 0 254.422 1.131 10 0 CDAERP CCC[C@@H](C)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925855514 775031080 /nfs/dbraw/zinc/03/10/80/775031080.db2.gz PLLXFTOJJGUVLI-VXGBXAGGSA-N 2 0 254.374 1.450 10 0 CDAERP CC1CCN(C(=O)C[N@H+](C)CCCCCC[NH3+])CC1 ZINC000710832928 775209329 /nfs/dbraw/zinc/20/93/29/775209329.db2.gz IYQTYDJSSTWEKM-UHFFFAOYSA-N 2 0 269.433 1.696 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]C2CCC(C(N)=O)CC2)C1 ZINC000925603329 775275220 /nfs/dbraw/zinc/27/52/20/775275220.db2.gz LYYQKCOZOKBDQM-MVKMKZAISA-N 2 0 267.417 1.526 10 0 CDAERP C[C@H]1C[C@H](N(C)C(=O)CCCCC[NH3+])CC[N@@H+]1C ZINC000155782909 775346527 /nfs/dbraw/zinc/34/65/27/775346527.db2.gz DYJAYJMVUSQBGB-QWHCGFSZSA-N 2 0 255.406 1.447 10 0 CDAERP Cn1c(Cl)cnc1C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923453029 775419613 /nfs/dbraw/zinc/41/96/13/775419613.db2.gz YHADYDNWPYZLHT-NSHDSACASA-N 2 0 298.818 1.403 10 0 CDAERP C([C@H]1CCCC2(CCC2)O1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000929311682 775421439 /nfs/dbraw/zinc/42/14/39/775421439.db2.gz FXADJBJNNSMDOX-HZSPNIEDSA-N 2 0 250.386 1.629 10 0 CDAERP CCc1noc(C)c1C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923449571 775427076 /nfs/dbraw/zinc/42/70/76/775427076.db2.gz OYTCCWHHWBJRBX-ZDUSSCGKSA-N 2 0 293.411 1.875 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000926665104 775456959 /nfs/dbraw/zinc/45/69/59/775456959.db2.gz BJEJPSIYNIDIDG-QKPAOTATSA-N 2 0 265.445 1.933 10 0 CDAERP [NH3+]CC1(CC[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)CC1 ZINC000925701833 775476984 /nfs/dbraw/zinc/47/69/84/775476984.db2.gz GMTWFTFYSJJWTJ-MGPQQGTHSA-N 2 0 252.402 1.910 10 0 CDAERP CCON(CC)C(=O)CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000858223198 775477914 /nfs/dbraw/zinc/47/79/14/775477914.db2.gz ONSWDLAMSBQAKL-OLZOCXBDSA-N 2 0 269.389 1.003 10 0 CDAERP CC[C@@](C)([NH2+]C[C@H]1CC2(C[NH2+]C2)CO1)c1nccs1 ZINC000923327221 775485700 /nfs/dbraw/zinc/48/57/00/775485700.db2.gz QUHGHDLKSCDXTI-DGCLKSJQSA-N 2 0 281.425 1.736 10 0 CDAERP COc1ccc([C@H](C)[NH2+]CCN2CCC([NH3+])CC2)cc1 ZINC000925808174 775565070 /nfs/dbraw/zinc/56/50/70/775565070.db2.gz AKEMPIWCIRDUGH-ZDUSSCGKSA-N 2 0 277.412 1.769 10 0 CDAERP FC(F)c1cccc(CN2CC[NH2+]CC[NH2+]CC2)c1 ZINC000923460112 775780578 /nfs/dbraw/zinc/78/05/78/775780578.db2.gz QIEASMMQFGBNNE-UHFFFAOYSA-N 2 0 269.339 1.619 10 0 CDAERP COC[C@@H](C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1)C(C)C ZINC000930556372 775816187 /nfs/dbraw/zinc/81/61/87/775816187.db2.gz WCZJJYYNEPMUMQ-CABCVRRESA-N 2 0 254.418 1.933 10 0 CDAERP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000923282571 775851878 /nfs/dbraw/zinc/85/18/78/775851878.db2.gz VUPOOCZTXSZVFO-CQSZACIVSA-N 2 0 293.386 1.155 10 0 CDAERP OCCCCC[NH+]1CCC(N2CCCOCC2)CC1 ZINC000931288697 775861446 /nfs/dbraw/zinc/86/14/46/775861446.db2.gz SDKCZSNFEVITLS-UHFFFAOYSA-N 2 0 270.417 1.336 10 0 CDAERP C[C@@H]([NH2+]C[C@H](O)CC(C)(C)O)C(C)(C)C[NH+](C)C ZINC000872204355 776009505 /nfs/dbraw/zinc/00/95/05/776009505.db2.gz OPEQTBYHCJCLTB-VXGBXAGGSA-N 2 0 260.422 1.074 10 0 CDAERP CC1CCC(NC(=O)C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000923504713 776048953 /nfs/dbraw/zinc/04/89/53/776048953.db2.gz UILIIQNVRKTNDH-FUUBYGMNSA-N 2 0 281.444 1.598 10 0 CDAERP C1CC2(C1)[NH2+]CC[C@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000925708633 776065593 /nfs/dbraw/zinc/06/55/93/776065593.db2.gz MVMIBNGYDKSVOV-UYSNPLJNSA-N 3 0 292.471 1.077 10 0 CDAERP C[N@@H+]1C[C@@H]2CN(CC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC000933737420 776103356 /nfs/dbraw/zinc/10/33/56/776103356.db2.gz PMLDFCUNLAORHI-CABCVRRESA-N 2 0 251.418 1.356 10 0 CDAERP C[C@@H](CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH+](C)C ZINC000855417703 776259648 /nfs/dbraw/zinc/25/96/48/776259648.db2.gz NIZMRJZFOGSRKE-SWLSCSKDSA-N 2 0 287.423 1.655 10 0 CDAERP C[NH+](C)CCOCC[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000721572991 776301905 /nfs/dbraw/zinc/30/19/05/776301905.db2.gz VLMKPSJRLYTACW-ZIAGYGMSSA-N 2 0 272.433 1.748 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)NCc2ccc(CC[NH3+])cc2)C[NH2+]1 ZINC000861639922 776333005 /nfs/dbraw/zinc/33/30/05/776333005.db2.gz YOZKQFPCSLNSKQ-DOMZBBRYSA-N 2 0 290.411 1.128 10 0 CDAERP CC(C)n1ccc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)n1 ZINC000923498386 776333945 /nfs/dbraw/zinc/33/39/45/776333945.db2.gz PEEBGGLCMODKLQ-QWHCGFSZSA-N 2 0 250.390 1.881 10 0 CDAERP CC1(C)CCC[C@H](C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)O1 ZINC000714384957 776349839 /nfs/dbraw/zinc/34/98/39/776349839.db2.gz KSLBYUXALJPMSV-HUUCEWRRSA-N 2 0 281.444 1.314 10 0 CDAERP C[NH+]1CCC(C[NH2+]C[C@@H]2C[C@@H]3CCC[C@H]3O2)CC1 ZINC000720879361 776509883 /nfs/dbraw/zinc/50/98/83/776509883.db2.gz JHIYLAZSDSIUFQ-SOUVJXGZSA-N 2 0 252.402 1.875 10 0 CDAERP CC[N@@H+]1CC[C@H](NCC2(C)OCCCO2)[C@H](C)C1 ZINC000190646945 776520808 /nfs/dbraw/zinc/52/08/08/776520808.db2.gz RDVHSBDAQXNCBE-OLZOCXBDSA-N 2 0 256.390 1.459 10 0 CDAERP C[N@H+](C[C@@H](O)CC(F)(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000307948963 776549752 /nfs/dbraw/zinc/54/97/52/776549752.db2.gz PVQCNOWQINQYKK-ZJUUUORDSA-N 2 0 254.296 1.374 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)CC[N@@H+]1C ZINC000922291643 776553203 /nfs/dbraw/zinc/55/32/03/776553203.db2.gz FISHVNYXYTWWJM-URGYJCLVSA-N 2 0 294.443 1.395 10 0 CDAERP COCCN1CCC([NH2+]Cc2ccnc(F)c2)CC1 ZINC000858108277 776587992 /nfs/dbraw/zinc/58/79/92/776587992.db2.gz AQMHGKQNWMGDNS-UHFFFAOYSA-N 2 0 267.348 1.421 10 0 CDAERP Cn1ncc(C[NH2+]CC2(c3ccccc3)CC[NH+](C)CC2)n1 ZINC000865775131 776821662 /nfs/dbraw/zinc/82/16/62/776821662.db2.gz RLHAZHNAUSLCSN-UHFFFAOYSA-N 2 0 299.422 1.568 10 0 CDAERP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H](C3CC3)O2)C1 ZINC000715510614 776833634 /nfs/dbraw/zinc/83/36/34/776833634.db2.gz PQAMIBFDRFWZHQ-AEGPPILISA-N 2 0 252.402 1.875 10 0 CDAERP OCCC1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@H]1CC[NH2+]C1 ZINC000866727085 776873590 /nfs/dbraw/zinc/87/35/90/776873590.db2.gz FLTVSTZGCZFPMM-AVOUXACISA-N 2 0 252.402 1.611 10 0 CDAERP Cc1cc([C@H]([NH3+])CC(=O)NC[C@@H]([NH3+])C2CC2)cc(Cl)n1 ZINC000834408948 776891155 /nfs/dbraw/zinc/89/11/55/776891155.db2.gz YILAOLLCHRXQJG-VXGBXAGGSA-N 2 0 296.802 1.287 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCCN2CCSC[C@H]12 ZINC000720494934 776974536 /nfs/dbraw/zinc/97/45/36/776974536.db2.gz JTZQBDZOXWWLQR-HZSPNIEDSA-N 2 0 271.474 1.673 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC[C@@H](O)C[NH+]1CCCC1 ZINC000852715253 776977598 /nfs/dbraw/zinc/97/75/98/776977598.db2.gz FOHMPURDHDZOEZ-CQSZACIVSA-N 2 0 271.449 1.153 10 0 CDAERP C[N@H+](CC(=O)NC1CCCCC1)C1CCC([NH3+])CC1 ZINC000091846970 776991512 /nfs/dbraw/zinc/99/15/12/776991512.db2.gz RDYCGJDZKNZIMI-UHFFFAOYSA-N 2 0 267.417 1.637 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)Nc2ccc(Cl)cn2)CC[C@@H]1C[NH3+] ZINC000923498339 777001471 /nfs/dbraw/zinc/00/14/71/777001471.db2.gz OFYDSKIKEXXKNQ-GHMZBOCLSA-N 2 0 296.802 1.590 10 0 CDAERP C(C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1)O[C@H]1CCOC1 ZINC000923510163 777003867 /nfs/dbraw/zinc/00/38/67/777003867.db2.gz WBGNWADHIJYFJT-RDJZCZTQSA-N 2 0 296.455 1.894 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000926222592 777040259 /nfs/dbraw/zinc/04/02/59/777040259.db2.gz SZBUOTDSBLVUCS-WJLOJVBCSA-N 2 0 252.402 1.874 10 0 CDAERP CC[NH+](CC)C[C@@H]1CCN(C[C@@H]2C[C@H]3COC[C@H]3O2)C1 ZINC000929749010 777109304 /nfs/dbraw/zinc/10/93/04/777109304.db2.gz NFWGRLKPODXJKO-YHUYYLMFSA-N 2 0 282.428 1.454 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](CCN2CCOCC2)C1 ZINC000866706404 777114322 /nfs/dbraw/zinc/11/43/22/777114322.db2.gz HYMBCMVUDSUUGH-HNNXBMFYSA-N 2 0 269.433 1.016 10 0 CDAERP CCC1(CC)CCC[N@@H+]1C[C@@H](O)CN(C)CCOC ZINC000721404726 777177911 /nfs/dbraw/zinc/17/79/11/777177911.db2.gz MEVDAGMOSSBAOU-AWEZNQCLSA-N 2 0 272.433 1.580 10 0 CDAERP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000379608291 777193912 /nfs/dbraw/zinc/19/39/12/777193912.db2.gz XZYSXROEOMTDEF-OAGGEKHMSA-N 2 0 282.428 1.070 10 0 CDAERP C[C@H]([C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)N1CCOCC1 ZINC000925499593 777203804 /nfs/dbraw/zinc/20/38/04/777203804.db2.gz RDESUNSDPMYXOA-GBJTYRQASA-N 2 0 283.460 1.591 10 0 CDAERP O[C@H](CN1CC[C@@]2(C1)CCC[NH2+]C2)CC(F)(F)F ZINC000709868344 777273124 /nfs/dbraw/zinc/27/31/24/777273124.db2.gz PDYOSACDMAEKAP-QWRGUYRKSA-N 2 0 266.307 1.375 10 0 CDAERP C[NH+](C)C[C@@H]1CN(c2ccc(Cl)nn2)C[C@H]1C[NH+](C)C ZINC000705943685 777281337 /nfs/dbraw/zinc/28/13/37/777281337.db2.gz BGOBBNWSGGYFTG-VXGBXAGGSA-N 2 0 297.834 1.306 10 0 CDAERP Cn1nccc1CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000093491542 777308897 /nfs/dbraw/zinc/30/88/97/777308897.db2.gz IHLDEHPIIZKJDG-SOUVJXGZSA-N 2 0 262.401 1.821 10 0 CDAERP CC1(C)CCC[C@H]1[C@H]1CC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923384972 777326846 /nfs/dbraw/zinc/32/68/46/777326846.db2.gz RDSVPAUFLSIQMO-YTFOTSKYSA-N 2 0 266.429 1.985 10 0 CDAERP CCC(C)(C)NC(=O)C[N@H+](C)CCCCCC[NH3+] ZINC000710778926 777418699 /nfs/dbraw/zinc/41/86/99/777418699.db2.gz DAHHOOFMBXCNSD-UHFFFAOYSA-N 2 0 257.422 1.742 10 0 CDAERP C1=C[C@@H](C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)[C@H]2CO[C@@H]1C2 ZINC000925829115 777473968 /nfs/dbraw/zinc/47/39/68/777473968.db2.gz BLGFADJERQJTKB-RHJCGQNESA-N 2 0 292.423 1.324 10 0 CDAERP CC(C)O[C@]1(C[NH2+][C@H](C)C2CC[NH+](C)CC2)CCOC1 ZINC000722357544 777561125 /nfs/dbraw/zinc/56/11/25/777561125.db2.gz WSUMUVPCIDNOHA-ZBFHGGJFSA-N 2 0 284.444 1.890 10 0 CDAERP CCCC[N@H+](C)CC1CC[NH+](CC[S@](C)=O)CC1 ZINC000798196665 777701548 /nfs/dbraw/zinc/70/15/48/777701548.db2.gz WUAKYOMFBXMMMG-SFHVURJKSA-N 2 0 274.474 1.809 10 0 CDAERP Nc1cc[nH+]cc1C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000158909250 777799804 /nfs/dbraw/zinc/79/98/04/777799804.db2.gz LMMZIGUTXIOSBB-WDEREUQCSA-N 2 0 260.341 1.020 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000925772439 777803042 /nfs/dbraw/zinc/80/30/42/777803042.db2.gz HXBDYMGBTWCZBX-QWHCGFSZSA-N 2 0 256.390 1.289 10 0 CDAERP CC[C@@H]1CCCCN1C(=O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723887154 777815667 /nfs/dbraw/zinc/81/56/67/777815667.db2.gz RHSAOGFNVURRPW-RBSFLKMASA-N 2 0 281.444 1.694 10 0 CDAERP Cn1ccc(CC[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)n1 ZINC000925639160 777849725 /nfs/dbraw/zinc/84/97/25/777849725.db2.gz KESBCBILNYCIHQ-WCQYABFASA-N 2 0 250.390 1.458 10 0 CDAERP C[NH+](C)C[C@@H]1CN(c2cccc(F)n2)C[C@H]1C[NH+](C)C ZINC000705927140 777878365 /nfs/dbraw/zinc/87/83/65/777878365.db2.gz RDFNISAXVFDBHB-CHWSQXEVSA-N 2 0 280.391 1.396 10 0 CDAERP COC[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+])C(C)C ZINC000925873216 777879806 /nfs/dbraw/zinc/87/98/06/777879806.db2.gz GQEKLSXAFXEUBM-XDQVBPFNSA-N 2 0 258.406 1.247 10 0 CDAERP COCC(C)(C)[NH+]1CCN(CCC[NH2+]C2CC2)CC1 ZINC000923382913 777888833 /nfs/dbraw/zinc/88/88/33/777888833.db2.gz VBTMCTXHHJJLAH-UHFFFAOYSA-N 2 0 269.433 1.171 10 0 CDAERP COc1ccccc1[C@H](O)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000843342565 777896581 /nfs/dbraw/zinc/89/65/81/777896581.db2.gz NPXHSLHMVXSZNB-HLPPOEQASA-N 2 0 290.407 1.706 10 0 CDAERP C(C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1)O[C@@H]1CCOC1 ZINC000923510162 778017710 /nfs/dbraw/zinc/01/77/10/778017710.db2.gz WBGNWADHIJYFJT-NVXWUHKLSA-N 2 0 296.455 1.894 10 0 CDAERP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCc1ccc3c(c1)CCO3)C2 ZINC000702069948 778020750 /nfs/dbraw/zinc/02/07/50/778020750.db2.gz VIBLGIIWKVZKAV-DOTOQJQBSA-N 2 0 272.392 1.705 10 0 CDAERP CC(C)C(C)(C)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870019701 778057317 /nfs/dbraw/zinc/05/73/17/778057317.db2.gz MPVPJEIVHWYALG-HUUCEWRRSA-N 2 0 297.487 1.866 10 0 CDAERP c1cc(N2CCC[N@@H+](CCO[C@H]3CCOC3)CC2)cc[nH+]1 ZINC000930805741 778124806 /nfs/dbraw/zinc/12/48/06/778124806.db2.gz JOZXBYIPXFMCGO-INIZCTEOSA-N 2 0 291.395 1.399 10 0 CDAERP C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000850500228 778209343 /nfs/dbraw/zinc/20/93/43/778209343.db2.gz DQCMDMDMNJYOED-PMPSAXMXSA-N 2 0 285.476 1.663 10 0 CDAERP CC1(C)[C@H]([NH2+]CCCn2ccnc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925490946 778312550 /nfs/dbraw/zinc/31/25/50/778312550.db2.gz BPJVGSPDESIVIH-HZSPNIEDSA-N 2 0 262.401 1.639 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)c1cccnc1Cl ZINC000863543787 778314402 /nfs/dbraw/zinc/31/44/02/778314402.db2.gz YRGHUPGHGBHUBB-SNVBAGLBSA-N 2 0 257.765 1.622 10 0 CDAERP CC(=O)NCCCCC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000931076171 778324426 /nfs/dbraw/zinc/32/44/26/778324426.db2.gz NUPVPWWGWROQNQ-INIZCTEOSA-N 2 0 299.459 1.335 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000925340999 778332455 /nfs/dbraw/zinc/33/24/55/778332455.db2.gz LREOVJJZLCSELH-HZSPNIEDSA-N 2 0 282.432 1.203 10 0 CDAERP CC(C)(C[NH3+])C1CC[NH+](CCO[C@@H]2CCOC2)CC1 ZINC000724947337 778366115 /nfs/dbraw/zinc/36/61/15/778366115.db2.gz CMXNEKRKGIVMRT-CQSZACIVSA-N 2 0 270.417 1.489 10 0 CDAERP CN(C(=O)NCCCCCC[NH3+])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000831290556 778468589 /nfs/dbraw/zinc/46/85/89/778468589.db2.gz CJQFDPQVERRIMR-PBWFPOADSA-N 2 0 282.432 1.430 10 0 CDAERP C[NH+](C)[C@@H]1CCCN(C(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852884511 778555965 /nfs/dbraw/zinc/55/59/65/778555965.db2.gz KGRJIXYHWCBXLD-CQSZACIVSA-N 2 0 265.401 1.239 10 0 CDAERP CC1(C)CCC[C@H](C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)O1 ZINC000714384959 778627470 /nfs/dbraw/zinc/62/74/70/778627470.db2.gz KSLBYUXALJPMSV-LSDHHAIUSA-N 2 0 281.444 1.314 10 0 CDAERP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@H]3CCC4(COC4)O3)C2)C1 ZINC000930577015 778628958 /nfs/dbraw/zinc/62/89/58/778628958.db2.gz OWNYVVMXZDWTCN-CABCVRRESA-N 2 0 280.412 1.352 10 0 CDAERP Cn1cncc1[C@@H]1CN(CCC[NH+]2CCCCC2)C[C@H]1[NH3+] ZINC000864307026 778639630 /nfs/dbraw/zinc/63/96/30/778639630.db2.gz RIHJQSATPLFRNM-HUUCEWRRSA-N 2 0 291.443 1.023 10 0 CDAERP CC(C)[NH+](CCCNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)C(C)C ZINC000870895301 778762475 /nfs/dbraw/zinc/76/24/75/778762475.db2.gz CVEYFBCBATYSBK-YCPHGPKFSA-N 2 0 281.444 1.739 10 0 CDAERP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](OC2CCC2)CC1 ZINC000872282311 778801284 /nfs/dbraw/zinc/80/12/84/778801284.db2.gz HDHCHMDUXLCRMP-ZBFHGGJFSA-N 2 0 284.444 1.723 10 0 CDAERP CC1(C)C[NH2+]CC[C@@H](NC(=O)CCCCCC[NH3+])C1 ZINC000872269159 778837558 /nfs/dbraw/zinc/83/75/58/778837558.db2.gz OVQNSWKNJFKJPL-CYBMUJFWSA-N 2 0 269.433 1.790 10 0 CDAERP C[C@H](CNC(=O)CCC12CC(C1)C[NH2+]2)[NH+]1CCCCC1 ZINC000870871158 778838824 /nfs/dbraw/zinc/83/88/24/778838824.db2.gz ZATSVCKWLFVCCG-VQCLRJIVSA-N 2 0 279.428 1.509 10 0 CDAERP COC1CC(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)C1 ZINC000709850808 778847386 /nfs/dbraw/zinc/84/73/86/778847386.db2.gz BEHUWYODUXNOKM-VGRIYTJTSA-N 2 0 266.307 1.480 10 0 CDAERP [NH3+]C[C@@]1(c2nc(-c3ccn4c[nH+]cc4c3)no2)CCCOC1 ZINC000872182682 778863788 /nfs/dbraw/zinc/86/37/88/778863788.db2.gz YVPNIBKXCSEJPQ-HNNXBMFYSA-N 2 0 299.334 1.391 10 0 CDAERP CC(C)(C[NH3+])C1CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000714487646 778960109 /nfs/dbraw/zinc/96/01/09/778960109.db2.gz UXTALZHUXGGOCY-OAHLLOKOSA-N 3 0 283.460 1.140 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000711379315 779032278 /nfs/dbraw/zinc/03/22/78/779032278.db2.gz OQFZRJPNEOSMQO-ZBFHGGJFSA-N 2 0 281.444 1.565 10 0 CDAERP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000866708709 779036703 /nfs/dbraw/zinc/03/67/03/779036703.db2.gz NYFSKWHYJBIUAT-SOUVJXGZSA-N 2 0 287.363 1.054 10 0 CDAERP CCOC(=O)[C@@H]1C[C@H]1CN1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000931545870 779068565 /nfs/dbraw/zinc/06/85/65/779068565.db2.gz IDLURXZNEVESAL-RQJABVFESA-N 2 0 266.385 1.212 10 0 CDAERP COC(=O)/C(C)=C/C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000088630696 779116230 /nfs/dbraw/zinc/11/62/30/779116230.db2.gz TVFAQWIAKJSHQW-LHHJGKSTSA-N 2 0 280.412 1.914 10 0 CDAERP CC[C@H](C)[C@@H]([NH3+])C(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000237064610 779168264 /nfs/dbraw/zinc/16/82/64/779168264.db2.gz NYXRLLWJQOTEKW-BYNSBNAKSA-N 2 0 299.459 1.365 10 0 CDAERP CC[C@H](CN[C@@H]1C[C@H]([NH3+])C12CCC2)[NH+]1CCCC1 ZINC000925606073 779226588 /nfs/dbraw/zinc/22/65/88/779226588.db2.gz LKDSPAAXEIFZKG-HZSPNIEDSA-N 2 0 251.418 1.720 10 0 CDAERP FC(F)(F)[C@H]1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)O1 ZINC000722392944 779230470 /nfs/dbraw/zinc/23/04/70/779230470.db2.gz XVCCMHMAVUDFGE-FXVHWTKVSA-N 2 0 278.318 1.969 10 0 CDAERP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)C1(O)CCCC1 ZINC000929813275 779248998 /nfs/dbraw/zinc/24/89/98/779248998.db2.gz JYEARMNWMFAVPS-QLFBSQMISA-N 2 0 282.428 1.211 10 0 CDAERP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@H]2CCC=CO2)CCO1 ZINC000827855487 779311691 /nfs/dbraw/zinc/31/16/91/779311691.db2.gz DWPUSSVHKCYHFF-HUUCEWRRSA-N 2 0 268.401 1.722 10 0 CDAERP COCC[N@@H+]1CC[C@H](N[C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000925555434 779385797 /nfs/dbraw/zinc/38/57/97/779385797.db2.gz FYEWRSTVQOGOGQ-XGUBFFRZSA-N 2 0 281.444 1.073 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000713007121 779398166 /nfs/dbraw/zinc/39/81/66/779398166.db2.gz DEHVKKVRRUQSQU-ZDUSSCGKSA-N 2 0 283.460 1.987 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCC1SCCS1 ZINC000854231336 779430219 /nfs/dbraw/zinc/43/02/19/779430219.db2.gz JZIHDHINHHFQPN-DCAQKATOSA-N 2 0 276.471 1.525 10 0 CDAERP CCCCCC[N@H+](C)CC(=O)N1CCC([NH2+]C)CC1 ZINC000832662401 779607618 /nfs/dbraw/zinc/60/76/18/779607618.db2.gz OHNCVACNZWTZNO-UHFFFAOYSA-N 2 0 269.433 1.709 10 0 CDAERP c1cc(CCN2CCC[C@H]3C[NH2+]CC[C@@H]32)sn1 ZINC000719875128 779623162 /nfs/dbraw/zinc/62/31/62/779623162.db2.gz YAESZNYHVGQPCS-AAEUAGOBSA-N 2 0 251.399 1.760 10 0 CDAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]C3CSC3)cc2)C1 ZINC000668489082 779828657 /nfs/dbraw/zinc/82/86/57/779828657.db2.gz BENGEAXACWGGMO-HNNXBMFYSA-N 2 0 278.421 1.458 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1C[C@@H](O)c2ccccc21 ZINC000854229802 779832785 /nfs/dbraw/zinc/83/27/85/779832785.db2.gz XMSHDGWCCPMYLE-TUKIKUTGSA-N 2 0 264.369 1.508 10 0 CDAERP CN(CC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)CC(F)(F)F ZINC000925478574 779894020 /nfs/dbraw/zinc/89/40/20/779894020.db2.gz NVIASCGKSFWMOR-WOPDTQHZSA-N 2 0 293.377 1.847 10 0 CDAERP C[C@@H]1[C@H](NC(=O)C[C@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1C ZINC000928440375 779913026 /nfs/dbraw/zinc/91/30/26/779913026.db2.gz KUXDYZYNFMDDGN-FVQBIDKESA-N 2 0 289.423 1.888 10 0 CDAERP [NH3+]CCCCCC[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000846218192 780084744 /nfs/dbraw/zinc/08/47/44/780084744.db2.gz SXNLEQDCQDMFNZ-HNNXBMFYSA-N 2 0 297.443 1.076 10 0 CDAERP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2cc[nH]c(=O)c2)CC1 ZINC000922012118 780139353 /nfs/dbraw/zinc/13/93/53/780139353.db2.gz ODKLQLBJFAXQFF-UHFFFAOYSA-N 2 0 292.427 1.293 10 0 CDAERP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000713007710 780144544 /nfs/dbraw/zinc/14/45/44/780144544.db2.gz HAYZNAJCVRTWDS-ZIAGYGMSSA-N 2 0 283.460 1.842 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001275039643 1166655371 /nfs/dbraw/zinc/65/53/71/1166655371.db2.gz VTPQOWADSWKKKX-QWHCGFSZSA-N 2 0 257.422 1.467 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001643793754 1167269266 /nfs/dbraw/zinc/26/92/66/1167269266.db2.gz FZYMRYXLYPQGMN-HZSPNIEDSA-N 2 0 267.417 1.127 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H](C[NH2+]CCF)C1CC1 ZINC001569306258 1167556041 /nfs/dbraw/zinc/55/60/41/1167556041.db2.gz KFLMEWGOUCJDBA-ZIAGYGMSSA-N 2 0 285.407 1.315 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCCF)C1)[NH+](C)C ZINC001566811807 1168430682 /nfs/dbraw/zinc/43/06/82/1168430682.db2.gz YVHUDDJDXMHDOR-AVGNSLFASA-N 2 0 273.396 1.169 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001567154789 1168596329 /nfs/dbraw/zinc/59/63/29/1168596329.db2.gz JGCBFUKVKSPFJG-ZDUSSCGKSA-N 2 0 255.406 1.173 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@H](CC[NH2+]CCCF)C1 ZINC001272556790 913435417 /nfs/dbraw/zinc/43/54/17/913435417.db2.gz WMFPBCMVGBMLJK-ZDUSSCGKSA-N 2 0 273.396 1.126 10 0 CDAERP CCOCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001266467624 894995639 /nfs/dbraw/zinc/99/56/39/894995639.db2.gz AEGOOBIIIKDBCL-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CCCC[C@@H]1C[NH2+]CCCF ZINC001266885242 896277094 /nfs/dbraw/zinc/27/70/94/896277094.db2.gz WQWGGBCOCZFYHB-CQSZACIVSA-N 2 0 285.407 1.413 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)[NH2+]CCCF)C1 ZINC001266965172 896458869 /nfs/dbraw/zinc/45/88/69/896458869.db2.gz RGMPVYLKTMABKD-KBPBESRZSA-N 2 0 287.423 1.562 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[C@@H](C)[NH2+]CC)C1 ZINC001267142456 896908823 /nfs/dbraw/zinc/90/88/23/896908823.db2.gz TVJNVAYZVGFNBT-ZIAGYGMSSA-N 2 0 269.433 1.613 10 0 CDAERP Cc1cccc(C[NH2+]CCN(C)C(=O)CC[NH+](C)C)c1 ZINC001567555263 1168853155 /nfs/dbraw/zinc/85/31/55/1168853155.db2.gz FNTUJJYKWHHKKI-UHFFFAOYSA-N 2 0 277.412 1.495 10 0 CDAERP CC(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001418940941 897296265 /nfs/dbraw/zinc/29/62/65/897296265.db2.gz GBCCLOJBAMGGMT-HOTGVXAUSA-N 2 0 295.471 1.765 10 0 CDAERP CN(CC[NH2+]CCC(C)(C)C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001267456084 897931612 /nfs/dbraw/zinc/93/16/12/897931612.db2.gz LALFATZRZSVHKO-CQSZACIVSA-N 2 0 283.460 1.812 10 0 CDAERP CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001496261713 898700444 /nfs/dbraw/zinc/70/04/44/898700444.db2.gz MYGSWXBRIHPXQM-KBPBESRZSA-N 2 0 269.433 1.611 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001481109626 898874366 /nfs/dbraw/zinc/87/43/66/898874366.db2.gz BTGWEKDPUSDLEA-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001481123125 898934738 /nfs/dbraw/zinc/93/47/38/898934738.db2.gz GGQXTHUKKUVBBC-HNNXBMFYSA-N 2 0 281.444 1.711 10 0 CDAERP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+](CC[C@@H](C)F)C1 ZINC001481125092 898937450 /nfs/dbraw/zinc/93/74/50/898937450.db2.gz BAWSGPGFGIJMQY-KGLIPLIRSA-N 2 0 287.423 1.513 10 0 CDAERP CCC[NH+](CCC)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001481151619 898984627 /nfs/dbraw/zinc/98/46/27/898984627.db2.gz MHSTXMLNYKGABK-AWEZNQCLSA-N 2 0 269.433 1.566 10 0 CDAERP CC(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001267712181 899341365 /nfs/dbraw/zinc/34/13/65/899341365.db2.gz NKKVDGAUAJRQJC-KBPBESRZSA-N 2 0 267.417 1.269 10 0 CDAERP CCCC[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001481272746 899817790 /nfs/dbraw/zinc/81/77/90/899817790.db2.gz WTUWBDJKMOPVBB-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001267969005 900118655 /nfs/dbraw/zinc/11/86/55/900118655.db2.gz DWUARGYCBDQOLW-ZIAGYGMSSA-N 2 0 297.418 1.411 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001481522317 901050685 /nfs/dbraw/zinc/05/06/85/901050685.db2.gz NVZGFRDAKGZBCV-HZSPNIEDSA-N 2 0 285.407 1.409 10 0 CDAERP C[C@H](CC[NH2+]Cc1cccnc1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268346986 901907105 /nfs/dbraw/zinc/90/71/05/901907105.db2.gz APLDXNPZECKAEQ-UKRRQHHQSA-N 2 0 290.411 1.160 10 0 CDAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC1=CCCCC1 ZINC001481875829 902251844 /nfs/dbraw/zinc/25/18/44/902251844.db2.gz QIHTYYLQPRJNCJ-HOTGVXAUSA-N 2 0 293.455 1.923 10 0 CDAERP O=C(C[NH+]1CCCC1)NC1(C[NH2+]CCF)CCCC1 ZINC001481913423 902310166 /nfs/dbraw/zinc/31/01/66/902310166.db2.gz ZOLMESHRGLIZBX-UHFFFAOYSA-N 2 0 271.380 1.070 10 0 CDAERP C[NH+](C)CCCC(=O)N1CCC(CC[NH2+]CC2CC2)CC1 ZINC001482003060 902459009 /nfs/dbraw/zinc/45/90/09/902459009.db2.gz YYMBDHWZCVGLKW-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@H](F)CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001268520937 902499230 /nfs/dbraw/zinc/49/92/30/902499230.db2.gz DXGKIMZLQJPIQF-GFSGRHGLSA-N 2 0 271.380 1.091 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC/C=C\C[NH2+]CCC1CC1 ZINC001268627117 902837734 /nfs/dbraw/zinc/83/77/34/902837734.db2.gz FXWYDMDFJUADHX-LPUOJRKPSA-N 2 0 293.455 1.921 10 0 CDAERP CCOCC[NH2+]C[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001268664486 902920711 /nfs/dbraw/zinc/92/07/11/902920711.db2.gz KLGFDYGOOPQSKN-CABCVRRESA-N 2 0 299.459 1.382 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001268673126 902932290 /nfs/dbraw/zinc/93/22/90/902932290.db2.gz GKYRFCNDAANWPN-QWHCGFSZSA-N 2 0 255.406 1.223 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC001361940465 902985271 /nfs/dbraw/zinc/98/52/71/902985271.db2.gz AXMIQGGJLYPFNM-LSDHHAIUSA-N 2 0 281.444 1.661 10 0 CDAERP CC(C)C[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001268803047 903141499 /nfs/dbraw/zinc/14/14/99/903141499.db2.gz VWYZUYKYKGNBJD-CQSZACIVSA-N 2 0 269.433 1.565 10 0 CDAERP CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001269103428 903423924 /nfs/dbraw/zinc/42/39/24/903423924.db2.gz CWOHSBNZAUARLI-KGLIPLIRSA-N 2 0 267.417 1.365 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CCCF)C1CC1 ZINC001269148920 903481542 /nfs/dbraw/zinc/48/15/42/903481542.db2.gz LYRPMPOMIQTEAJ-GJZGRUSLSA-N 2 0 299.434 1.705 10 0 CDAERP CCC(CC)C[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001269286551 903654590 /nfs/dbraw/zinc/65/45/90/903654590.db2.gz PFRMXXBJETTZBA-CQSZACIVSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001270185061 904422549 /nfs/dbraw/zinc/42/25/49/904422549.db2.gz ZQGHTUSDPBFZSV-CABCVRRESA-N 2 0 281.444 1.707 10 0 CDAERP CCCN(C(=O)CC[NH+]1CC[C@H](F)C1)[C@@H]1CC[N@H+](C)C1 ZINC001363460288 904529656 /nfs/dbraw/zinc/52/96/56/904529656.db2.gz WHTRDJRVPOJOOK-UONOGXRCSA-N 2 0 285.407 1.363 10 0 CDAERP C[C@H](C[NH2+]C/C=C/Cl)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001482300110 904784670 /nfs/dbraw/zinc/78/46/70/904784670.db2.gz XNYDAXPEPRRWIG-ZYARKTQMSA-N 2 0 287.835 1.660 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CCCF ZINC001482455592 905635505 /nfs/dbraw/zinc/63/55/05/905635505.db2.gz KAQDWWSSKXPKQL-LSDHHAIUSA-N 2 0 299.434 1.801 10 0 CDAERP CC[NH2+]C[C@H](C)N(C)C(=O)CCCC[NH+]1CCCC1 ZINC001271228288 906193950 /nfs/dbraw/zinc/19/39/50/906193950.db2.gz RRLIMAKOJBMQIA-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001567899554 1169047960 /nfs/dbraw/zinc/04/79/60/1169047960.db2.gz ZWZFQMQHSCSWIJ-CGFBPQRUSA-N 2 0 293.455 1.875 10 0 CDAERP C[C@@H](CC[NH2+]Cc1ccsc1)NC(=O)C[NH+]1CCCC1 ZINC001482898602 908462079 /nfs/dbraw/zinc/46/20/79/908462079.db2.gz GDZPPUSJWCYJPE-ZDUSSCGKSA-N 2 0 295.452 1.828 10 0 CDAERP C[C@H](C[NH2+]CCC(F)(F)F)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001483116441 909467169 /nfs/dbraw/zinc/46/71/69/909467169.db2.gz JIQIDZRBKBLZTD-ZJUUUORDSA-N 2 0 281.322 1.127 10 0 CDAERP CC/C=C\CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001483192834 909950547 /nfs/dbraw/zinc/95/05/47/909950547.db2.gz HDPQRSXAMLVRDS-QJTIAFMVSA-N 2 0 267.417 1.389 10 0 CDAERP Cc1ccccc1C[NH2+][C@H](C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001409414989 910385789 /nfs/dbraw/zinc/38/57/89/910385789.db2.gz QIIMOPBMQRVVTM-CABCVRRESA-N 2 0 291.439 1.930 10 0 CDAERP CC(C)[NH2+]CC(C)(C)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001409494343 910448690 /nfs/dbraw/zinc/44/86/90/910448690.db2.gz LJZMPEFTWRHNLN-AWEZNQCLSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)CC[NH2+]C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001483597732 911309692 /nfs/dbraw/zinc/30/96/92/911309692.db2.gz BXRGHYVZWYZRFZ-HOCLYGCPSA-N 2 0 295.471 1.859 10 0 CDAERP C[C@]1(C[NH2+]CCF)CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001484123796 915445686 /nfs/dbraw/zinc/44/56/86/915445686.db2.gz CRNKJCQWIBWJOM-MRXNPFEDSA-N 2 0 299.434 1.660 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NCC2([NH2+]CCCF)CCC2)C1 ZINC001484652777 915995883 /nfs/dbraw/zinc/99/58/83/915995883.db2.gz HNIFARZXJCGUHC-CYBMUJFWSA-N 2 0 285.407 1.316 10 0 CDAERP C[C@@H](CC[NH2+]CC1CCCC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001272688898 916074552 /nfs/dbraw/zinc/07/45/52/916074552.db2.gz SWKPFBLAGNSAMF-ZFWWWQNUSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001485041373 916403748 /nfs/dbraw/zinc/40/37/48/916403748.db2.gz FZXLYOYTECPZMC-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001485187636 916648253 /nfs/dbraw/zinc/64/82/53/916648253.db2.gz DVXTYQKTPALGLH-KBPBESRZSA-N 2 0 281.444 1.777 10 0 CDAERP C[C@@H](NC(=O)CCC[NH+]1CCCC1)[C@@H](C)[NH2+]CC1CC1 ZINC001485231097 916686375 /nfs/dbraw/zinc/68/63/75/916686375.db2.gz ZDNUXAOGAREPNS-ZIAGYGMSSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H]([NH2+]CC1CC1)[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001485231095 916687681 /nfs/dbraw/zinc/68/76/81/916687681.db2.gz ZDNUXAOGAREPNS-KGLIPLIRSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1C[NH+](CCCF)C1 ZINC001409948595 920485924 /nfs/dbraw/zinc/48/59/24/920485924.db2.gz SBVRWDGYRGAVBQ-OLZOCXBDSA-N 2 0 285.407 1.124 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCF ZINC001485892937 920552135 /nfs/dbraw/zinc/55/21/35/920552135.db2.gz HSKPRLAFXKAODS-ZIAGYGMSSA-N 2 0 287.423 1.513 10 0 CDAERP CCC[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001568300524 1169230869 /nfs/dbraw/zinc/23/08/69/1169230869.db2.gz SDNRBVKDIIHDCP-QWHCGFSZSA-N 2 0 255.406 1.175 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C[NH2+]C/C=C/Cl)C1 ZINC001486210277 920821214 /nfs/dbraw/zinc/82/12/14/920821214.db2.gz JLZOJGPGPSUPCS-SJXJOUCVSA-N 2 0 287.835 1.565 10 0 CDAERP CO[C@@H](C)C[NH2+]C[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001491190096 936871201 /nfs/dbraw/zinc/87/12/01/936871201.db2.gz HRXSCEYSHMSFMQ-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)C[C@@H]1C[N@H+](C)CCN1C[C@@H]1C[NH2+]C[C@H]1C ZINC000923553421 923924453 /nfs/dbraw/zinc/92/44/53/923924453.db2.gz JLTVUSOOFIFESU-QLFBSQMISA-N 2 0 253.434 1.504 10 0 CDAERP C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]C/C=C\Cl ZINC001491493854 936924421 /nfs/dbraw/zinc/92/44/21/936924421.db2.gz ADEXBBHSELOQRV-IRBQFCFKSA-N 2 0 299.846 1.709 10 0 CDAERP CC(C)[N@H+](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCCC1 ZINC001141714567 936928206 /nfs/dbraw/zinc/92/82/06/936928206.db2.gz ZTKKPBWBPAYMFO-ZDUSSCGKSA-N 2 0 269.433 1.706 10 0 CDAERP C[C@H](CN[C@@H]1C[C@H]([NH3+])C12CCC2)[NH+]1CCCCC1 ZINC000405204269 926775634 /nfs/dbraw/zinc/77/56/34/926775634.db2.gz CQSYVJUQEYBKIY-HZSPNIEDSA-N 2 0 251.418 1.720 10 0 CDAERP C[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)CCC1CC1 ZINC001490213664 927013152 /nfs/dbraw/zinc/01/31/52/927013152.db2.gz LGCWBXIOXDISTB-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H]([NH2+]CCF)C2CC2)CC[N@@H+]1C ZINC001490664765 927290112 /nfs/dbraw/zinc/29/01/12/927290112.db2.gz MKOMVGKIAPFLEO-BFHYXJOUSA-N 2 0 285.407 1.171 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)C=C1CC[NH2+]CC1)c1ccsc1 ZINC000852858554 927898352 /nfs/dbraw/zinc/89/83/52/927898352.db2.gz DCDBJTPFKIEDSG-AWEZNQCLSA-N 2 0 293.436 1.777 10 0 CDAERP C[C@H]1CC[C@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C[NH2+]1 ZINC000861563577 929306745 /nfs/dbraw/zinc/30/67/45/929306745.db2.gz UYWYPIDENOGSOL-JSGCOSHPSA-N 2 0 296.459 1.689 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NCC[N@H+](C)C1CCCC1 ZINC001136716245 931305425 /nfs/dbraw/zinc/30/54/25/931305425.db2.gz RKRIOYKIERLSGZ-CYBMUJFWSA-N 2 0 269.433 1.565 10 0 CDAERP CCC[NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001274252330 931485109 /nfs/dbraw/zinc/48/51/09/931485109.db2.gz CCIAMHNYFJSGJL-AATRIKPKSA-N 2 0 267.417 1.533 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001143803177 931550281 /nfs/dbraw/zinc/55/02/81/931550281.db2.gz PVWSALFBNLFYKO-RWMBFGLXSA-N 2 0 255.406 1.031 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(C(=O)CC2CC([NH3+])C2)C1 ZINC000718049252 931577553 /nfs/dbraw/zinc/57/75/53/931577553.db2.gz CZFHLFTWTFWOIL-BPCQOVAHSA-N 2 0 253.390 1.057 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001275166792 931685808 /nfs/dbraw/zinc/68/58/08/931685808.db2.gz FTGNWFRXAUYPFT-INIZCTEOSA-N 2 0 293.455 1.971 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CC ZINC001275574635 931888467 /nfs/dbraw/zinc/88/84/67/931888467.db2.gz ZTQASMGWUJIEJH-OLZOCXBDSA-N 2 0 255.406 1.317 10 0 CDAERP C[NH+](C)C1(C(=O)N2CC[NH+](C3CCCC3)CC2)CCCC1 ZINC001411641032 931934379 /nfs/dbraw/zinc/93/43/79/931934379.db2.gz NKTRTCLOXSTPIZ-UHFFFAOYSA-N 2 0 293.455 1.948 10 0 CDAERP CC[C@H](C[NH+]1CCCC1)NC(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001411784239 932022364 /nfs/dbraw/zinc/02/23/64/932022364.db2.gz KXVCOBZLIUNEIC-ZIAGYGMSSA-N 2 0 285.407 1.411 10 0 CDAERP CC(C)=CC[N@@H+](C)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001275851196 932093172 /nfs/dbraw/zinc/09/31/72/932093172.db2.gz UXKKUBYZSXQEFV-CQSZACIVSA-N 2 0 281.444 1.873 10 0 CDAERP CCCCC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001275914745 932127605 /nfs/dbraw/zinc/12/76/05/932127605.db2.gz CFAZSISNULTZSH-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001411937963 932160442 /nfs/dbraw/zinc/16/04/42/932160442.db2.gz LOVAROMRVGDAFV-KBUPBQIOSA-N 2 0 281.444 1.658 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+]2CC[C@H](F)C2)C1 ZINC001412226618 932330565 /nfs/dbraw/zinc/33/05/65/932330565.db2.gz MVMWTYHUTHHHFU-KBPBESRZSA-N 2 0 285.407 1.361 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001412303036 932368187 /nfs/dbraw/zinc/36/81/87/932368187.db2.gz XUSRGADMOKRXMT-GJZGRUSLSA-N 2 0 283.460 1.809 10 0 CDAERP CC1(C)C[C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)C[C@@H]([NH3+])C1 ZINC000925726024 932932479 /nfs/dbraw/zinc/93/24/79/932932479.db2.gz PNDSNAKOARGRJI-SYQHCUMBSA-N 3 0 253.434 2.000 10 0 CDAERP COC(=O)[C@H](C1CC1)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000691898758 933133704 /nfs/dbraw/zinc/13/37/04/933133704.db2.gz OOXWDFIWSCTHJK-AWEZNQCLSA-N 2 0 280.412 1.746 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCN1CC[NH+](CCCCCO)CC1 ZINC000931498471 933574793 /nfs/dbraw/zinc/57/47/93/933574793.db2.gz IKPBBGSECVJZPR-KRWDZBQOSA-N 2 0 297.487 1.641 10 0 CDAERP CN(C)C(=O)CC[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001413094791 935900600 /nfs/dbraw/zinc/90/06/00/935900600.db2.gz KIPBOTHLBCIQAW-IYBDPMFKSA-N 2 0 279.428 1.273 10 0 CDAERP CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001568685347 1169430780 /nfs/dbraw/zinc/43/07/80/1169430780.db2.gz VSJNCFYGLWRNHK-KGLIPLIRSA-N 2 0 269.433 1.754 10 0 CDAERP CC[N@@H+]1C[C@H](NC(=O)C[NH+](C)C2CCC2)C(C)(C)C1 ZINC001276586310 940384586 /nfs/dbraw/zinc/38/45/86/940384586.db2.gz GTRIJEUJSRYFQJ-ZDUSSCGKSA-N 2 0 267.417 1.317 10 0 CDAERP CCC[NH+]1CCC([NH2+][C@@H](C)C2CC[NH2+]CC2)CC1 ZINC000400743952 940854688 /nfs/dbraw/zinc/85/46/88/940854688.db2.gz LOWAPZDCRQZRNQ-ZDUSSCGKSA-N 3 0 253.434 1.839 10 0 CDAERP CN(CC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)Cc1ccccc1 ZINC000405392481 940986058 /nfs/dbraw/zinc/98/60/58/940986058.db2.gz HEQPZDMYHYWRIE-CVEARBPZSA-N 2 0 273.424 1.978 10 0 CDAERP Cc1ncsc1CC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405411047 940986878 /nfs/dbraw/zinc/98/68/78/940986878.db2.gz NBABKMIUYQOMGU-NWDGAFQWSA-N 2 0 251.399 1.854 10 0 CDAERP CC(C)[NH2+]CCC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001277343664 942398031 /nfs/dbraw/zinc/39/80/31/942398031.db2.gz WBTUBTXMNRBTCM-KGLIPLIRSA-N 2 0 271.449 1.856 10 0 CDAERP CN(C(=O)CCCC[NH+](C)C)C1CCC([NH2+]CCO)CC1 ZINC001282274286 942685688 /nfs/dbraw/zinc/68/56/88/942685688.db2.gz GLYHINSLGKBULR-UHFFFAOYSA-N 2 0 299.459 1.070 10 0 CDAERP C[C@H](O)C[N@H+](C)C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001283340753 942880870 /nfs/dbraw/zinc/88/08/70/942880870.db2.gz PLNOSGBPUHVWCK-AWEZNQCLSA-N 2 0 299.459 1.022 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CCC2CC2)CN1C(=O)CC[NH+](C)C ZINC001284001623 943041384 /nfs/dbraw/zinc/04/13/84/943041384.db2.gz CDQVSCPLVMELRY-TZMCWYRMSA-N 2 0 267.417 1.317 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC001362162702 970960993 /nfs/dbraw/zinc/96/09/93/970960993.db2.gz ZTZVOIFURQRDCR-ZIAGYGMSSA-N 2 0 279.428 1.460 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H](C[NH2+]CCF)C(C)(C)C)[NH+](C)C ZINC001284596717 943221157 /nfs/dbraw/zinc/22/11/57/943221157.db2.gz BOESWIPRHSQNSX-OLZOCXBDSA-N 2 0 289.439 1.663 10 0 CDAERP CC(C)CC[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001277932072 944099029 /nfs/dbraw/zinc/09/90/29/944099029.db2.gz CLTLASOSYOZJOD-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP COCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001264380564 944118947 /nfs/dbraw/zinc/11/89/47/944118947.db2.gz MGAZCVOQAFYFGN-OAHLLOKOSA-N 2 0 297.443 1.042 10 0 CDAERP C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)Cc1ccccn1 ZINC001264970502 944184816 /nfs/dbraw/zinc/18/48/16/944184816.db2.gz SCYLQQCPSSMSGM-HNNXBMFYSA-N 2 0 290.411 1.114 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001265441406 944389235 /nfs/dbraw/zinc/38/92/35/944389235.db2.gz GCRMFNWHODTSBW-MELADBBJSA-N 2 0 267.417 1.317 10 0 CDAERP CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001265570060 944433550 /nfs/dbraw/zinc/43/35/50/944433550.db2.gz OMRSHXBKJDOIJL-KFWWJZLASA-N 2 0 281.444 1.755 10 0 CDAERP CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001265670077 944464260 /nfs/dbraw/zinc/46/42/60/944464260.db2.gz LCJSMFUDFZWDOB-HZPDHXFCSA-N 2 0 293.455 1.709 10 0 CDAERP COCCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001265705074 944476356 /nfs/dbraw/zinc/47/63/56/944476356.db2.gz DQIBHZJIULGGAX-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP CCCCCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001265864691 944547340 /nfs/dbraw/zinc/54/73/40/944547340.db2.gz VOTZOYMMZGWDKE-UONOGXRCSA-N 2 0 269.433 1.613 10 0 CDAERP C[NH+](C)CCCCC(=O)NC1(C)CC[NH+](CCCO)CC1 ZINC001278088619 944732972 /nfs/dbraw/zinc/73/29/72/944732972.db2.gz WYOPHTFIOIYZPI-UHFFFAOYSA-N 2 0 299.459 1.071 10 0 CDAERP COCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001266203904 944752806 /nfs/dbraw/zinc/75/28/06/944752806.db2.gz MGSFGZRTSORMAJ-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP O=C(NC1CC1)[C@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC001332363712 944782306 /nfs/dbraw/zinc/78/23/06/944782306.db2.gz JHDKEQRNSSURTQ-LBPRGKRZSA-N 2 0 265.401 1.119 10 0 CDAERP CC1CC(C[NH2+]C/C=C\CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001568952450 1169560459 /nfs/dbraw/zinc/56/04/59/1169560459.db2.gz ZKEWEIWKDITKHM-XWSKIFPPSA-N 2 0 293.455 1.636 10 0 CDAERP CCN1CC[C@@H]1C(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC001362508893 971352924 /nfs/dbraw/zinc/35/29/24/971352924.db2.gz MUIIVBWOAPSQOD-HUUCEWRRSA-N 2 0 293.386 1.639 10 0 CDAERP C[C@@H](O)CCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001479716430 971381999 /nfs/dbraw/zinc/38/19/99/971381999.db2.gz DTJLZHWOEHZNHI-KFWWJZLASA-N 2 0 299.459 1.068 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC(C)C)[C@@H]1C ZINC001479724054 971383646 /nfs/dbraw/zinc/38/36/46/971383646.db2.gz CNPUWXVPBXFLHF-KGLIPLIRSA-N 2 0 269.433 1.563 10 0 CDAERP COCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[NH+]2CCCCC2)C1 ZINC001278424699 947887672 /nfs/dbraw/zinc/88/76/72/947887672.db2.gz VGPLAIDIVKWAAQ-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001568992017 1169582516 /nfs/dbraw/zinc/58/25/16/1169582516.db2.gz PSQPGCVMLUBZTE-HUUCEWRRSA-N 2 0 283.460 2.000 10 0 CDAERP CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001480022323 971543329 /nfs/dbraw/zinc/54/33/29/971543329.db2.gz DSHJFXVNKWRTHB-JKSUJKDBSA-N 2 0 293.455 1.898 10 0 CDAERP COCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1(C)C ZINC001278684820 951684557 /nfs/dbraw/zinc/68/45/57/951684557.db2.gz MBDJCQRDOCALQT-ZIAGYGMSSA-N 2 0 299.459 1.046 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCCF)C1 ZINC001480642011 971821048 /nfs/dbraw/zinc/82/10/48/971821048.db2.gz MXKVZPFRLPCHIA-GJZGRUSLSA-N 2 0 299.434 1.657 10 0 CDAERP C[C@H](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CCC1CC1 ZINC001480763007 971870480 /nfs/dbraw/zinc/87/04/80/971870480.db2.gz CVBBCFVPYCSJLV-CJNGLKHVSA-N 2 0 293.455 1.613 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+]CCF)C1CCCC1 ZINC001324517597 953423146 /nfs/dbraw/zinc/42/31/46/953423146.db2.gz KAQAMLLJTNYRQK-CQSZACIVSA-N 2 0 287.423 1.561 10 0 CDAERP CC(C)[NH2+]C[C@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001324783738 953573462 /nfs/dbraw/zinc/57/34/62/953573462.db2.gz NXGMAFQRYDELQF-AWEZNQCLSA-N 2 0 255.406 1.175 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@](C)(C[NH2+]CCCF)C2)C1 ZINC001324825572 953593670 /nfs/dbraw/zinc/59/36/70/953593670.db2.gz FPPFDDXDPZEAJQ-HIFRSBDPSA-N 2 0 285.407 1.126 10 0 CDAERP CCOCC[NH+]1CCC(C)(CNC(=O)CC[NH+](C)C)CC1 ZINC001324887173 953622915 /nfs/dbraw/zinc/62/29/15/953622915.db2.gz SBQLWZPJHBWSFS-UHFFFAOYSA-N 2 0 299.459 1.193 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001363765077 953764781 /nfs/dbraw/zinc/76/47/81/953764781.db2.gz WBSAQHGUVNHTLQ-OLZOCXBDSA-N 2 0 273.396 1.123 10 0 CDAERP CCOCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C ZINC001325923749 954144255 /nfs/dbraw/zinc/14/42/55/954144255.db2.gz WOPGBDFQJTYBRR-GJZGRUSLSA-N 2 0 297.443 1.040 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001364348527 954485659 /nfs/dbraw/zinc/48/56/59/954485659.db2.gz PVWXTTLUPMRYEX-HOTGVXAUSA-N 2 0 283.460 1.371 10 0 CDAERP CC(C)CCC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001327033063 954670522 /nfs/dbraw/zinc/67/05/22/954670522.db2.gz ATGUXQAQOVOTPC-HNNXBMFYSA-N 2 0 299.459 1.191 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CCCF ZINC001328458670 955300904 /nfs/dbraw/zinc/30/09/04/955300904.db2.gz IJZXGKODOKRJSD-KBPBESRZSA-N 2 0 287.423 1.705 10 0 CDAERP [NH3+][C@@H]1CCCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC001328491986 955311032 /nfs/dbraw/zinc/31/10/32/955311032.db2.gz ITTUEWOLWMOTAU-YHQUGGNUSA-N 2 0 265.401 1.090 10 0 CDAERP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC1CC(C)(C)C1 ZINC001491672399 955380839 /nfs/dbraw/zinc/38/08/39/955380839.db2.gz AGXVIKQBTDJDQK-CYBMUJFWSA-N 2 0 281.444 1.613 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H](C[NH2+]CCCF)C1 ZINC001491812673 955478145 /nfs/dbraw/zinc/47/81/45/955478145.db2.gz QMRRQRLOHYNLAL-LSDHHAIUSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCF)[C@@H](C)C1 ZINC001422024517 955707020 /nfs/dbraw/zinc/70/70/20/955707020.db2.gz FVOAGKCGXAIDDI-STQMWFEESA-N 2 0 273.396 1.123 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC2CCC2)[C@@H](C)C1 ZINC001422027619 955709294 /nfs/dbraw/zinc/70/92/94/955709294.db2.gz KVKWYLVEQQQJMB-HOCLYGCPSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001422133035 955764942 /nfs/dbraw/zinc/76/49/42/955764942.db2.gz NYQBFYKUROQHCC-LSDHHAIUSA-N 2 0 283.460 1.715 10 0 CDAERP CCC[NH2+][C@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)C(C)C ZINC001422134762 955765985 /nfs/dbraw/zinc/76/59/85/955765985.db2.gz UVPCONVKFYRLKZ-LSDHHAIUSA-N 2 0 299.459 1.095 10 0 CDAERP CO[C@H](C)C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)C(C)C ZINC001493858003 972127378 /nfs/dbraw/zinc/12/73/78/972127378.db2.gz MWLMBYLIGSJZCV-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)C[NH2+]CCCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001569228830 1169727610 /nfs/dbraw/zinc/72/76/10/1169727610.db2.gz HUAMJYAIXAMOTP-UHFFFAOYSA-N 2 0 283.460 1.955 10 0 CDAERP CCCCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001329997231 956227134 /nfs/dbraw/zinc/22/71/34/956227134.db2.gz KCGFUWXZRDIZRD-SQWLQELKSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)[NH2+][C@H](CCNC(=O)C[N@H+](C)C1CCC1)C(C)C ZINC001422947802 956467993 /nfs/dbraw/zinc/46/79/93/956467993.db2.gz SMZUBBMTQTZOPS-OAHLLOKOSA-N 2 0 283.460 2.000 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001365995452 956498401 /nfs/dbraw/zinc/49/84/01/956498401.db2.gz LKEAYYVCVYRJAF-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP Cc1noc(C)c1C[NH2+][C@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001423102701 956585913 /nfs/dbraw/zinc/58/59/13/956585913.db2.gz JCYKUETWBNCPTA-LLVKDONJSA-N 2 0 296.415 1.180 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001366156996 956610197 /nfs/dbraw/zinc/61/01/97/956610197.db2.gz UQEQBCREVWTQLV-OKILXGFUSA-N 2 0 281.444 1.611 10 0 CDAERP CO[C@H](C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001366214308 956642248 /nfs/dbraw/zinc/64/22/48/956642248.db2.gz YBTMUEKDDKVIMG-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CCC(CC)C[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001423178881 956650807 /nfs/dbraw/zinc/65/08/07/956650807.db2.gz JYWHIPQGUAJOQH-OAHLLOKOSA-N 2 0 283.460 1.953 10 0 CDAERP CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001423317770 956721301 /nfs/dbraw/zinc/72/13/01/956721301.db2.gz KDXFJPKUNIQMNZ-CABCVRRESA-N 2 0 281.444 1.804 10 0 CDAERP Cc1ncc(C[NH2+][C@H](C)CCNC(=O)[C@@H]2CCC[N@@H+]2C)o1 ZINC001366454087 956844432 /nfs/dbraw/zinc/84/44/32/956844432.db2.gz QRRLOMQSPKTDDV-RISCZKNCSA-N 2 0 294.399 1.062 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1CCOC1 ZINC001366615517 957044248 /nfs/dbraw/zinc/04/42/48/957044248.db2.gz DGJJEGHLSNXVGD-CABCVRRESA-N 2 0 299.459 1.047 10 0 CDAERP C[N@H+](CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CC1CCC1 ZINC001316824109 957051104 /nfs/dbraw/zinc/05/11/04/957051104.db2.gz OEJHMXHSPSLWNJ-MRXNPFEDSA-N 2 0 293.455 1.566 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCC[NH+]2CC2CCC2)C1 ZINC001366670002 957100389 /nfs/dbraw/zinc/10/03/89/957100389.db2.gz OZRWJYSUDUZAPH-ZBFHGGJFSA-N 2 0 293.455 1.709 10 0 CDAERP CC[NH+](CC)CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001316897279 957104257 /nfs/dbraw/zinc/10/42/57/957104257.db2.gz WXBLOWVMRUPIHB-UHFFFAOYSA-N 2 0 267.417 1.463 10 0 CDAERP CCC[N@H+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)C1CC1 ZINC001366740771 957156789 /nfs/dbraw/zinc/15/67/89/957156789.db2.gz DNHNZLODZUALSC-JKSUJKDBSA-N 2 0 293.455 1.994 10 0 CDAERP CC[C@H](C(=O)N1CCO[C@H](C[NH2+]C(C)C)C1)[NH+](CC)CC ZINC001424232156 957164449 /nfs/dbraw/zinc/16/44/49/957164449.db2.gz UCCILRCNCMSLHY-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001317068933 957242233 /nfs/dbraw/zinc/24/22/33/957242233.db2.gz ALSNKXQJUYZTKO-KGLIPLIRSA-N 2 0 269.433 1.563 10 0 CDAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]CC1CCCC1 ZINC001424485790 957250121 /nfs/dbraw/zinc/25/01/21/957250121.db2.gz PUBODWWRNMDWMN-ZFWWWQNUSA-N 2 0 281.444 1.565 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC001366891189 957252124 /nfs/dbraw/zinc/25/21/24/957252124.db2.gz HNTUQRYMRFJRAT-CABCVRRESA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)C[C@H](C)C[NH+]1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001366949413 957292730 /nfs/dbraw/zinc/29/27/30/957292730.db2.gz MQIALXFLYBJKCI-AWEZNQCLSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@H](C)C[NH+]1CC(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001366978988 957313403 /nfs/dbraw/zinc/31/34/03/957313403.db2.gz UVKVRMGHZHWZJN-AWEZNQCLSA-N 2 0 295.471 1.812 10 0 CDAERP CC/C=C\CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC001317214163 957346639 /nfs/dbraw/zinc/34/66/39/957346639.db2.gz NNWHZKOBMFAFHL-DZOIOBPVSA-N 2 0 291.439 1.341 10 0 CDAERP C[C@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H](C)[NH2+]C/C=C\Cl ZINC001424836802 957377100 /nfs/dbraw/zinc/37/71/00/957377100.db2.gz XGXUUZPPNFANFD-MUDVKMOPSA-N 2 0 287.835 1.564 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CC1CC(C)C1 ZINC001317267704 957391750 /nfs/dbraw/zinc/39/17/50/957391750.db2.gz XIYCVHCSWGMEFT-OTTFEQOBSA-N 2 0 255.406 1.079 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001317270795 957393865 /nfs/dbraw/zinc/39/38/65/957393865.db2.gz WHCHICDCIGJRJL-ZDUSSCGKSA-N 2 0 269.433 1.469 10 0 CDAERP COCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001317364146 957437096 /nfs/dbraw/zinc/43/70/96/957437096.db2.gz RQJNDLLMYZDGJB-HUUCEWRRSA-N 2 0 297.443 1.136 10 0 CDAERP CC[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@H]12 ZINC001332116031 957438914 /nfs/dbraw/zinc/43/89/14/957438914.db2.gz GSUPOVBSZZTIOU-DZGCQCFKSA-N 2 0 267.417 1.460 10 0 CDAERP C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC1CCC1 ZINC001317414796 957461364 /nfs/dbraw/zinc/46/13/64/957461364.db2.gz YOICIYGYISPPSI-OCCSQVGLSA-N 2 0 267.417 1.223 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[NH+](CC)C[C@@H]2C1 ZINC001425383217 957523943 /nfs/dbraw/zinc/52/39/43/957523943.db2.gz OCFILQOCIMUSJT-OWCLPIDISA-N 2 0 295.471 1.955 10 0 CDAERP Fc1cccc2c1CC[C@H]2N1CC[NH2+]CC[NH2+]CC1 ZINC001332363743 957532570 /nfs/dbraw/zinc/53/25/70/957532570.db2.gz KNVYMIDAFVWYGB-OAHLLOKOSA-N 2 0 263.360 1.308 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]CC1CCC1 ZINC001317586864 957583296 /nfs/dbraw/zinc/58/32/96/957583296.db2.gz RBIOAULSEQKSEM-OAHLLOKOSA-N 2 0 281.444 1.707 10 0 CDAERP CC/C=C\CC[NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001317626984 957608057 /nfs/dbraw/zinc/60/80/57/957608057.db2.gz QRKZTZZERBHZOY-IYKSTZQJSA-N 2 0 281.444 1.733 10 0 CDAERP CC(C)[C@H](C(=O)N(C)CC[NH2+]C[C@H]1CCCOC1)[NH+](C)C ZINC001317654116 957625729 /nfs/dbraw/zinc/62/57/29/957625729.db2.gz XYPHLKVAZWVLTG-HUUCEWRRSA-N 2 0 299.459 1.047 10 0 CDAERP CN(CC[NH2+]Cc1ccc(F)cc1)C(=O)C[NH+]1CCCC1 ZINC001317661566 957629662 /nfs/dbraw/zinc/62/96/62/957629662.db2.gz OCGDIRUPVLOHGT-UHFFFAOYSA-N 2 0 293.386 1.470 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]C/C=C/Cl)CN1C(=O)C[NH+]1CCCC1 ZINC001425914352 957640438 /nfs/dbraw/zinc/64/04/38/957640438.db2.gz MEOOSNJUJYZXDH-DRHCNIFCSA-N 2 0 285.819 1.414 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C ZINC001425932694 957646174 /nfs/dbraw/zinc/64/61/74/957646174.db2.gz DWIDEMVXSBQPIF-CABCVRRESA-N 2 0 283.460 1.952 10 0 CDAERP CC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001317981021 957839243 /nfs/dbraw/zinc/83/92/43/957839243.db2.gz DFIFTAXBNBICCK-NFAHFFEMSA-N 2 0 281.444 1.875 10 0 CDAERP Cc1cccc(C[NH2+]C[C@H](C)N(C)C(=O)CC[NH+](C)C)c1 ZINC001367376207 957978879 /nfs/dbraw/zinc/97/88/79/957978879.db2.gz MLHCEFUULNGNBC-HNNXBMFYSA-N 2 0 291.439 1.883 10 0 CDAERP CC(C)OCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001318240845 957992639 /nfs/dbraw/zinc/99/26/39/957992639.db2.gz PMRGVUYYKZROBK-LSDHHAIUSA-N 2 0 297.443 1.086 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]C/C=C\Cl)C1 ZINC001319129603 958387168 /nfs/dbraw/zinc/38/71/68/958387168.db2.gz GGWCZJAQGQUSRV-WKSPHBBESA-N 2 0 285.819 1.271 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1nccs1 ZINC001494948415 972346728 /nfs/dbraw/zinc/34/67/28/972346728.db2.gz IGUFZHLTSJLIEX-NEPJUHHUSA-N 2 0 296.440 1.222 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)NC[C@H]1CC[N@@H+]1CC(C)C ZINC001367949746 958508496 /nfs/dbraw/zinc/50/84/96/958508496.db2.gz MVGOKFPTUFNCFT-KGLIPLIRSA-N 2 0 287.423 1.513 10 0 CDAERP C[C@H](C[NH2+]CCC1CC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001319515322 958606199 /nfs/dbraw/zinc/60/61/99/958606199.db2.gz PZBWYRAAASVTOC-HIFRSBDPSA-N 2 0 281.444 1.707 10 0 CDAERP CN(C(=O)CCC[NH+](C)C)C1C[NH+](CC2CCCC2)C1 ZINC001368080371 958623223 /nfs/dbraw/zinc/62/32/23/958623223.db2.gz VLFILVFDBMLWLS-UHFFFAOYSA-N 2 0 281.444 1.661 10 0 CDAERP CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001319621242 958660291 /nfs/dbraw/zinc/66/02/91/958660291.db2.gz MYGSWXBRIHPXQM-UONOGXRCSA-N 2 0 269.433 1.611 10 0 CDAERP CCCCC[N@H+](C)CCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001320043514 958897961 /nfs/dbraw/zinc/89/79/61/958897961.db2.gz XXNCCQBXGDWBGH-OAHLLOKOSA-N 2 0 283.460 1.909 10 0 CDAERP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CC1CCCC1 ZINC001495049887 972389654 /nfs/dbraw/zinc/38/96/54/972389654.db2.gz MBABLDNYRDHPIW-AWEZNQCLSA-N 2 0 269.433 1.613 10 0 CDAERP CN(CCC[N@H+](C)CC1CCC1)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001368564026 958972634 /nfs/dbraw/zinc/97/26/34/958972634.db2.gz WZSFIHATWGJMDP-INIZCTEOSA-N 2 0 295.471 1.909 10 0 CDAERP CCC[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001368603132 958991603 /nfs/dbraw/zinc/99/16/03/958991603.db2.gz BHOVZIUFVXKZOZ-AJNGGQMLSA-N 2 0 281.444 1.754 10 0 CDAERP CO[C@H](C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001368821213 959156554 /nfs/dbraw/zinc/15/65/54/959156554.db2.gz QNBJRNQDFFRFGO-CABCVRRESA-N 2 0 299.459 1.286 10 0 CDAERP C[C@@H](CC[NH2+]C[C@@H]1CC(C)(C)CO1)NC(=O)CC[NH+](C)C ZINC001320542443 959230823 /nfs/dbraw/zinc/23/08/23/959230823.db2.gz IBCAJYGAZZFVDJ-KBPBESRZSA-N 2 0 299.459 1.238 10 0 CDAERP CN(CC(C)(C)C[NH2+]CC1CC1)C(=O)C12CC[NH+](CC1)C2 ZINC001368923797 959257633 /nfs/dbraw/zinc/25/76/33/959257633.db2.gz PFJOJAQXZOZRPT-UHFFFAOYSA-N 2 0 293.455 1.566 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(CC)CC[NH2+]CC2CC2)CC[N@@H+]1C ZINC001320737736 959361291 /nfs/dbraw/zinc/36/12/91/959361291.db2.gz MZAWVZCEBZQETR-LSDHHAIUSA-N 2 0 281.444 1.565 10 0 CDAERP C[NH+]1CCC(CC(=O)NC2(C[NH2+]CCF)CCCC2)CC1 ZINC001495190528 972435416 /nfs/dbraw/zinc/43/54/16/972435416.db2.gz ASRINMSTGVXJPN-UHFFFAOYSA-N 2 0 299.434 1.706 10 0 CDAERP C[NH+](C)CCC(=O)NC/C=C\C[NH2+]Cc1ccccc1F ZINC001321220163 959660680 /nfs/dbraw/zinc/66/06/80/959660680.db2.gz ABGDHKBEBPPIRR-WAYWQWQTSA-N 2 0 293.386 1.539 10 0 CDAERP CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001321542555 959844233 /nfs/dbraw/zinc/84/42/33/959844233.db2.gz WHKJMQYTKXGOFZ-UKRRQHHQSA-N 2 0 281.444 1.898 10 0 CDAERP CCC[NH2+]C[C@@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001321543711 959844366 /nfs/dbraw/zinc/84/43/66/959844366.db2.gz XYQBREUMYGKZOW-OLZOCXBDSA-N 2 0 255.406 1.365 10 0 CDAERP CCCC[NH2+]C[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001321989968 960046278 /nfs/dbraw/zinc/04/62/78/960046278.db2.gz FCGZLKVTGHYEIH-OLZOCXBDSA-N 2 0 255.406 1.223 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]([NH2+]C/C=C\Cl)C1 ZINC001370365434 960071891 /nfs/dbraw/zinc/07/18/91/960071891.db2.gz VDDBWVPQEXJFLE-HWEGEYNCSA-N 2 0 299.846 1.804 10 0 CDAERP C[NH+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C/C=C\Cl ZINC001370583100 960150800 /nfs/dbraw/zinc/15/08/00/960150800.db2.gz MHMXCMJZMCSROZ-FBIAOJBXSA-N 2 0 299.846 1.802 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001370719626 960188105 /nfs/dbraw/zinc/18/81/05/960188105.db2.gz NDLJIYXTWPDXCB-AHWSKYQCSA-N 2 0 273.808 1.316 10 0 CDAERP CN(CCC[NH2+]CC1CC1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001322640005 960284811 /nfs/dbraw/zinc/28/48/11/960284811.db2.gz FWKQGKDFVMLBLC-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CCC(CC)C[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001322831340 960335662 /nfs/dbraw/zinc/33/56/62/960335662.db2.gz JVMHSKXLXURYJD-OAHLLOKOSA-N 2 0 283.460 1.812 10 0 CDAERP CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+](C(C)C)C2)C1 ZINC001433628054 960466845 /nfs/dbraw/zinc/46/68/45/960466845.db2.gz WNMCGOSMRGLQCH-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001433711016 960548392 /nfs/dbraw/zinc/54/83/92/960548392.db2.gz BJYSLGOUPCDQNO-GJZGRUSLSA-N 2 0 281.444 1.519 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001418673921 960888124 /nfs/dbraw/zinc/88/81/24/960888124.db2.gz XVIJWWUGWNXIFE-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001418856815 961101810 /nfs/dbraw/zinc/10/18/10/961101810.db2.gz SWZDXFCMKDNUIG-CVEARBPZSA-N 2 0 289.423 1.794 10 0 CDAERP CC[N@H+](C)CCC(=O)NC1C[NH+](CC2CC3(CCC3)C2)C1 ZINC001418997528 961244200 /nfs/dbraw/zinc/24/42/00/961244200.db2.gz HXZIWFWKWRQPNY-UHFFFAOYSA-N 2 0 293.455 1.709 10 0 CDAERP O=C(CCC[NH+]1CCCC1)N1CCC[C@H]1C[NH2+]CCCF ZINC001324272684 961276329 /nfs/dbraw/zinc/27/63/29/961276329.db2.gz CXBIZTAGQJUVRC-HNNXBMFYSA-N 2 0 299.434 1.803 10 0 CDAERP CC[C@H](C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C(C)C)C1)OC ZINC001419127607 961405027 /nfs/dbraw/zinc/40/50/27/961405027.db2.gz MVRLWMIIKLMIDX-HUUCEWRRSA-N 2 0 299.459 1.284 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1conc1C ZINC001419175206 961471125 /nfs/dbraw/zinc/47/11/25/961471125.db2.gz HGTBHMBLPMMGKP-KBPBESRZSA-N 2 0 294.399 1.062 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CC12CC[NH+](CCC1CC1)CC2 ZINC001419215446 961510343 /nfs/dbraw/zinc/51/03/43/961510343.db2.gz YFQAAOIRGRXKDZ-OAHLLOKOSA-N 2 0 293.455 1.709 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCN1CCC([NH2+]C2CCOCC2)CC1 ZINC001434488378 961515137 /nfs/dbraw/zinc/51/51/37/961515137.db2.gz YSDIBLSXVLEPMZ-KRWDZBQOSA-N 2 0 295.471 1.704 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]([NH2+]C/C=C/Cl)C1 ZINC001419408925 961667914 /nfs/dbraw/zinc/66/79/14/961667914.db2.gz ZGZDAQNEPPTIMW-RCJFRMFYSA-N 2 0 299.846 1.850 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC1CCC([NH2+]CC2CC2)CC1 ZINC001419673353 961947678 /nfs/dbraw/zinc/94/76/78/961947678.db2.gz MUOHUHVBIRKWCD-UHFFFAOYSA-N 2 0 281.444 1.754 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]CC1CC1 ZINC001419834863 962145775 /nfs/dbraw/zinc/14/57/75/962145775.db2.gz BKVHKTXRIYLCJO-GOEBONIOSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH+](C)C[C@H]1CC[C@@H](C)O1 ZINC001420057415 962428948 /nfs/dbraw/zinc/42/89/48/962428948.db2.gz FAUTVPXXKUXGKW-HUUCEWRRSA-N 2 0 299.459 1.284 10 0 CDAERP CC[C@@H](C[NH2+][C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1)OC ZINC001436949757 962520062 /nfs/dbraw/zinc/52/00/62/962520062.db2.gz CTJRMIPHIMUJRT-MJBXVCDLSA-N 2 0 297.443 1.133 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cccc(F)c1 ZINC001437121560 962651222 /nfs/dbraw/zinc/65/12/22/962651222.db2.gz GQJWMAOHUMEZBW-WFASDCNBSA-N 2 0 293.386 1.514 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CC1CCC1 ZINC001437125190 962657633 /nfs/dbraw/zinc/65/76/33/962657633.db2.gz BEIDRJPVUPAWCH-SWLSCSKDSA-N 2 0 279.428 1.223 10 0 CDAERP C[NH+](C)CC1(C(=O)NCC[N@H+](C)CC2CC(C)(C)C2)CC1 ZINC001420283434 962678037 /nfs/dbraw/zinc/67/80/37/962678037.db2.gz NWXOFTAZTUKVOL-UHFFFAOYSA-N 2 0 295.471 1.812 10 0 CDAERP Cc1ncoc1C[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001437147075 962678282 /nfs/dbraw/zinc/67/82/82/962678282.db2.gz OIDSFUIHRAOEOX-NSHDSACASA-N 2 0 294.399 1.062 10 0 CDAERP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC1CC(F)(F)C1 ZINC001437262653 962776039 /nfs/dbraw/zinc/77/60/39/962776039.db2.gz RGTWECAULLJTFW-LLVKDONJSA-N 2 0 289.370 1.222 10 0 CDAERP C[C@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccon1 ZINC001437384128 962854751 /nfs/dbraw/zinc/85/47/51/962854751.db2.gz PYYMDUGCNUIKLU-TZMCWYRMSA-N 2 0 294.399 1.143 10 0 CDAERP CC[NH+](CC)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001420399771 962864330 /nfs/dbraw/zinc/86/43/30/962864330.db2.gz CJQKAQMACBLBSU-UHFFFAOYSA-N 2 0 274.368 1.714 10 0 CDAERP CC[C@H](F)C[N@H+](CC)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001420422489 962892081 /nfs/dbraw/zinc/89/20/81/962892081.db2.gz LWULENAVUPFBQR-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP COC[C@@H](C)[N@H+](C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001437570438 963023748 /nfs/dbraw/zinc/02/37/48/963023748.db2.gz OWMIPUYFPQWASN-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC001437732172 963150212 /nfs/dbraw/zinc/15/02/12/963150212.db2.gz CKIKWSFKTCVIOG-GJZGRUSLSA-N 2 0 279.428 1.176 10 0 CDAERP C[C@H]([NH2+]CCF)C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001420763829 963227144 /nfs/dbraw/zinc/22/71/44/963227144.db2.gz YJBCWYNGFLHOPH-KBPBESRZSA-N 2 0 299.434 1.514 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NCC[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC001437945432 963251806 /nfs/dbraw/zinc/25/18/06/963251806.db2.gz IGDFHQJZXOAUBU-JKSUJKDBSA-N 2 0 293.455 1.566 10 0 CDAERP COC[C@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001437993526 963278904 /nfs/dbraw/zinc/27/89/04/963278904.db2.gz SLSUDDHKWKOPSH-GJZGRUSLSA-N 2 0 299.459 1.142 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@]1(C)CC[N@@H+](C(C)C)C1 ZINC001421199994 963497732 /nfs/dbraw/zinc/49/77/32/963497732.db2.gz CIGXFHLAUUSFBD-DZGCQCFKSA-N 2 0 287.423 1.655 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCN(C)C(=O)C[NH+](C)C1CCC1 ZINC001438883379 963588270 /nfs/dbraw/zinc/58/82/70/963588270.db2.gz QBBFSQSQGXKHBS-AWEZNQCLSA-N 2 0 283.460 1.907 10 0 CDAERP CC1CC(C[N@H+](C)CCN(C)C(=O)C[NH+]2CCCC2)C1 ZINC001438935318 963606606 /nfs/dbraw/zinc/60/66/06/963606606.db2.gz BUURARZRPSHWNF-UHFFFAOYSA-N 2 0 281.444 1.519 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CC[N@H+](C)CCCF ZINC001438944391 963609248 /nfs/dbraw/zinc/60/92/48/963609248.db2.gz GLSVJRRSBGHUOV-ZIAGYGMSSA-N 2 0 287.423 1.609 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](CCF)C3)CCC1 ZINC001440097903 963925546 /nfs/dbraw/zinc/92/55/46/963925546.db2.gz KCRTVNLOMQYGBS-IHRRRGAJSA-N 2 0 297.418 1.409 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001440257601 963959331 /nfs/dbraw/zinc/95/93/31/963959331.db2.gz WJWJXCIGFWETBX-LSDHHAIUSA-N 2 0 295.471 1.907 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCF)C2)C1 ZINC001440404394 964021199 /nfs/dbraw/zinc/02/11/99/964021199.db2.gz YYBPNDUMLWWVEK-MELADBBJSA-N 2 0 285.407 1.172 10 0 CDAERP C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)[NH2+]CC1CC1 ZINC001440825137 964198432 /nfs/dbraw/zinc/19/84/32/964198432.db2.gz CCVNBJUVYKDVGI-QWHCGFSZSA-N 2 0 283.460 1.857 10 0 CDAERP C[C@@H]([NH2+]CC1CC1)[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001440825132 964198615 /nfs/dbraw/zinc/19/86/15/964198615.db2.gz CCVNBJUVYKDVGI-OLZOCXBDSA-N 2 0 283.460 1.857 10 0 CDAERP Cc1cnc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C)s1 ZINC001441785517 964705905 /nfs/dbraw/zinc/70/59/05/964705905.db2.gz JXMXIXBEFWJDBW-JQWIXIFHSA-N 2 0 296.440 1.140 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccccc1Cl ZINC001441941965 964797687 /nfs/dbraw/zinc/79/76/87/964797687.db2.gz RLRSPXCPCUYTAW-LBPRGKRZSA-N 2 0 297.830 1.886 10 0 CDAERP CO[C@H](C)C[N@H+](C)CCN(C(=O)C[NH+]1CCCC1)C(C)C ZINC001442130943 964883382 /nfs/dbraw/zinc/88/33/82/964883382.db2.gz NOXZZCOIXRKCDB-OAHLLOKOSA-N 2 0 299.459 1.286 10 0 CDAERP CC(C)[NH+]1CCC(C2(NC(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001442264476 964964485 /nfs/dbraw/zinc/96/44/85/964964485.db2.gz AKNZAXYYCFBKAX-UHFFFAOYSA-N 2 0 293.455 1.851 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CCCF)C1 ZINC001443449891 965472786 /nfs/dbraw/zinc/47/27/86/965472786.db2.gz OEZYCDCRPWREHA-ZDUSSCGKSA-N 2 0 273.396 1.267 10 0 CDAERP C[C@H](C[NH2+]CC1CCCC1)NC(=O)C1([NH+](C)C)CCC1 ZINC001445389272 966182913 /nfs/dbraw/zinc/18/29/13/966182913.db2.gz LCYYRWNPJFWRAY-CYBMUJFWSA-N 2 0 281.444 1.755 10 0 CDAERP Cc1nsc(C)c1C[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001445436468 966198274 /nfs/dbraw/zinc/19/82/74/966198274.db2.gz XGYNMFYWXJKBQP-SNVBAGLBSA-N 2 0 298.456 1.306 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001446169395 966475396 /nfs/dbraw/zinc/47/53/96/966475396.db2.gz SKIOITRNHSTUQT-ZIAGYGMSSA-N 2 0 297.418 1.315 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3CCC3)C[C@H]21 ZINC001448425204 967110346 /nfs/dbraw/zinc/11/03/46/967110346.db2.gz DKRZAYWTBNOPAE-QKDCVEJESA-N 2 0 279.428 1.032 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]CCC2CC2)CN1C(=O)CCC[NH+](C)C ZINC001449035123 967344695 /nfs/dbraw/zinc/34/46/95/967344695.db2.gz UWLLPTIUVVSGIX-DZGCQCFKSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N(C)C(C)(C)C[NH+]1CCCC1 ZINC001451855042 968018523 /nfs/dbraw/zinc/01/85/23/968018523.db2.gz ADMMUPHRVAJPMM-CQSZACIVSA-N 2 0 283.460 1.907 10 0 CDAERP COC(=O)[C@H]1[C@H](C[NH2+]CCC[NH+]2CCCC2)C1(F)F ZINC001353585237 968079845 /nfs/dbraw/zinc/07/98/45/968079845.db2.gz SYMYOPVMVLVLBG-WDEREUQCSA-N 2 0 276.327 1.116 10 0 CDAERP C[NH+](C)[C@H]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C12CCC2 ZINC001454180775 968440669 /nfs/dbraw/zinc/44/06/69/968440669.db2.gz UXQJDVCPJMNJHR-KBPBESRZSA-N 2 0 295.471 1.953 10 0 CDAERP c1cc(C[NH2+]CCc2cn[nH]c2)n(-c2cc[nH+]cc2)n1 ZINC001461540781 969629092 /nfs/dbraw/zinc/62/90/92/969629092.db2.gz ITOPXBLOQUVXPB-UHFFFAOYSA-N 2 0 268.324 1.323 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2CCC[NH+]2C)C1 ZINC001470206048 970301257 /nfs/dbraw/zinc/30/12/57/970301257.db2.gz MUGSFFLPBDBGIY-ZIAGYGMSSA-N 2 0 267.417 1.317 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CC[C@@H]2C[C@@H](C)C[NH+]2C1 ZINC001361741077 970481630 /nfs/dbraw/zinc/48/16/30/970481630.db2.gz GJBYUDDBKONQGR-QKPAOTATSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC001361747535 970488650 /nfs/dbraw/zinc/48/86/50/970488650.db2.gz NIUBHIHWUKDMFM-ZBFHGGJFSA-N 2 0 291.439 1.993 10 0 CDAERP CC[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1cscn1)[NH+](C)C ZINC001371776265 972636439 /nfs/dbraw/zinc/63/64/39/972636439.db2.gz XVKWBFJSLYQVKS-DGCLKSJQSA-N 2 0 298.456 1.468 10 0 CDAERP CCC[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CCCC1 ZINC001495953612 972718125 /nfs/dbraw/zinc/71/81/25/972718125.db2.gz JDJXOQCFABIAJB-UHFFFAOYSA-N 2 0 279.428 1.511 10 0 CDAERP CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CCCC[NH+](C)C ZINC001496484604 972938106 /nfs/dbraw/zinc/93/81/06/972938106.db2.gz CSVPLXYXKANSBQ-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CC[N@H+](CCNC(=O)CC[NH+](C)C)CC1CC(C)(C)C1 ZINC001372412911 972948470 /nfs/dbraw/zinc/94/84/70/972948470.db2.gz WGAQGHNWNBFDIW-UHFFFAOYSA-N 2 0 283.460 1.812 10 0 CDAERP Cc1ncc(CN2CCC[C@@H]2CNC(=O)CC[NH+](C)C)o1 ZINC001372560287 973017770 /nfs/dbraw/zinc/01/77/70/973017770.db2.gz WDVXGBXRHLKMER-CYBMUJFWSA-N 2 0 294.399 1.015 10 0 CDAERP C[NH+](C)CCC(=O)NCC[N@H+](CC1CCCC1)C1CC1 ZINC001372859490 973175741 /nfs/dbraw/zinc/17/57/41/973175741.db2.gz JISCOIQIFXEPEV-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H](CNC(=O)C1([NH+](C)C)CCCC1)C[NH+]1CCCC1 ZINC001417614790 973199050 /nfs/dbraw/zinc/19/90/50/973199050.db2.gz ORQAMTAZFYVPOE-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H](CC[NH2+]C/C=C\Cl)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001497188339 973237177 /nfs/dbraw/zinc/23/71/77/973237177.db2.gz HZCJVUUJTSNISB-RIDZFXPKSA-N 2 0 299.846 1.565 10 0 CDAERP CC(C)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001497257261 973265673 /nfs/dbraw/zinc/26/56/73/973265673.db2.gz VZLWBJVNBMRSAP-KKUMJFAQSA-N 2 0 283.460 1.857 10 0 CDAERP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)CC[NH+](C)C)c(C)o1 ZINC001497263053 973268437 /nfs/dbraw/zinc/26/84/37/973268437.db2.gz KSPDGTOIJAEYNQ-LLVKDONJSA-N 2 0 296.415 1.228 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC001417683284 973279583 /nfs/dbraw/zinc/27/95/83/973279583.db2.gz JMQPAXHNWDRKAG-KGLIPLIRSA-N 2 0 283.460 1.763 10 0 CDAERP CCCC[NH2+]CCN(CC)C(=O)C1([NH+](C)C)CCC1 ZINC001497401184 973330658 /nfs/dbraw/zinc/33/06/58/973330658.db2.gz PVHVUKGQQCCWDC-UHFFFAOYSA-N 2 0 269.433 1.709 10 0 CDAERP CCN(CC[NH2+]CCF)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001497414567 973339756 /nfs/dbraw/zinc/33/97/56/973339756.db2.gz OFMPHIXGGVFTNM-AWEZNQCLSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC1CC1 ZINC001497578378 973416674 /nfs/dbraw/zinc/41/66/74/973416674.db2.gz HTXVVRAVURXZOG-JZIMQPMSSA-N 2 0 279.428 1.531 10 0 CDAERP CC(C)[NH2+]C/C=C/CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001497673938 973459422 /nfs/dbraw/zinc/45/94/22/973459422.db2.gz ZJUHAELVRKZRRE-SBDDDAINSA-N 2 0 255.406 1.243 10 0 CDAERP O=C(CC[NH+]1CCCCC1)NC/C=C\C[NH2+]CCF ZINC001497766274 973490268 /nfs/dbraw/zinc/49/02/68/973490268.db2.gz USRYQYBFXLDIAL-IHWYPQMZSA-N 2 0 271.380 1.094 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C[NH2+]CCc1cccs1)[NH+](C)C ZINC001497836086 973545142 /nfs/dbraw/zinc/54/51/42/973545142.db2.gz QTSQVTSQUDJJNS-TZMCWYRMSA-N 2 0 297.468 1.725 10 0 CDAERP C[C@H](C[NH2+]Cc1ccccc1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001497983368 973597854 /nfs/dbraw/zinc/59/78/54/973597854.db2.gz CNWJBAGWEGHKIH-UKRRQHHQSA-N 2 0 275.396 1.233 10 0 CDAERP Cc1csc(C[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C(C)C)n1 ZINC001497992659 973603062 /nfs/dbraw/zinc/60/30/62/973603062.db2.gz ILOSDDLEPZCKGX-LLVKDONJSA-N 2 0 298.456 1.386 10 0 CDAERP CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC[C@H](C)F ZINC001373818919 973655126 /nfs/dbraw/zinc/65/51/26/973655126.db2.gz AWRHFIBPRUQCRC-QWHCGFSZSA-N 2 0 285.407 1.315 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1ccccc1 ZINC001418311568 973742216 /nfs/dbraw/zinc/74/22/16/973742216.db2.gz FKJKNPKLAPPBOI-AWEZNQCLSA-N 2 0 277.412 1.621 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]([NH2+]CC2CCC2)C1 ZINC001418325989 973750696 /nfs/dbraw/zinc/75/06/96/973750696.db2.gz PIXYMNMGDQAWLB-LSDHHAIUSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001498290089 973810922 /nfs/dbraw/zinc/81/09/22/973810922.db2.gz YWEPBFUUBMEKER-BFHYXJOUSA-N 2 0 269.433 1.419 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CC[NH+]1CC1CC1 ZINC001375317295 974331108 /nfs/dbraw/zinc/33/11/08/974331108.db2.gz FPJGXLOLXFHJSJ-CABCVRRESA-N 2 0 279.428 1.461 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCC2([NH2+]C/C=C\Cl)CC2)CC[N@@H+]1C ZINC001375475269 974397023 /nfs/dbraw/zinc/39/70/23/974397023.db2.gz IUFNLADRBYWFHW-UHPDYOMPSA-N 2 0 299.846 1.708 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2C[C@H]([NH2+]CCC3CC3)C2)C1 ZINC001375551198 974419672 /nfs/dbraw/zinc/41/96/72/974419672.db2.gz AWZZWHVXIBGOMJ-JYJNAYRXSA-N 2 0 293.455 1.613 10 0 CDAERP CC(C)[NH+]1CCC(C)(CNC(=O)Cn2ccnc2)CC1 ZINC001500465903 974439020 /nfs/dbraw/zinc/43/90/20/974439020.db2.gz LLDWABGKCILSOC-UHFFFAOYSA-N 2 0 278.400 1.510 10 0 CDAERP Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)CC[NH+](C)C)on1 ZINC001375759364 974470910 /nfs/dbraw/zinc/47/09/10/974470910.db2.gz AKGFIGJKPNIEJY-CYBMUJFWSA-N 2 0 294.399 1.015 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]CC2CCC2)C1 ZINC001501150589 974542568 /nfs/dbraw/zinc/54/25/68/974542568.db2.gz VEDHRLMBZILWSL-HOCLYGCPSA-N 2 0 295.471 1.812 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001376375765 974645648 /nfs/dbraw/zinc/64/56/48/974645648.db2.gz OITATKJRKPEDNO-XDQVBPFNSA-N 2 0 285.407 1.456 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001376384719 974646560 /nfs/dbraw/zinc/64/65/60/974646560.db2.gz AKUKWWGOGSQKID-KKUMJFAQSA-N 2 0 281.444 1.754 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001376405368 974652704 /nfs/dbraw/zinc/65/27/04/974652704.db2.gz GYYFCCFTNPVKDI-JHJVBQTASA-N 2 0 273.396 1.312 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CCF)CCC2)CC[N@@H+]1C ZINC001501951810 974663113 /nfs/dbraw/zinc/66/31/13/974663113.db2.gz CKGZCGCBXHJSON-QWHCGFSZSA-N 2 0 285.407 1.315 10 0 CDAERP O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@@H]([NH2+]CCC2CC2)C1 ZINC001376506876 974678102 /nfs/dbraw/zinc/67/81/02/974678102.db2.gz XRGPJVLUCYFOKS-IYBDPMFKSA-N 2 0 293.455 1.899 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CCC[C@@H](C)O)C1)[NH+](C)C ZINC001502671423 974761622 /nfs/dbraw/zinc/76/16/22/974761622.db2.gz FWRLFSAKQIXOHO-RBSFLKMASA-N 2 0 299.459 1.068 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC1CCCC1 ZINC001376795798 974773381 /nfs/dbraw/zinc/77/33/81/974773381.db2.gz RERBWBQWJBPYEA-ZFWWWQNUSA-N 2 0 281.444 1.755 10 0 CDAERP CC1([NH2+]CCF)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001502805791 974787065 /nfs/dbraw/zinc/78/70/65/974787065.db2.gz VFHGIPULTQYLNT-UHFFFAOYSA-N 2 0 283.391 1.022 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1ccns1 ZINC001376872549 974797458 /nfs/dbraw/zinc/79/74/58/974797458.db2.gz BQTJRAAXRZPVGV-NSHDSACASA-N 2 0 284.429 1.078 10 0 CDAERP CC(C)[C@@H](C(=O)NC1CC(C[NH2+]CCCF)C1)[NH+](C)C ZINC001505503743 974896917 /nfs/dbraw/zinc/89/69/17/974896917.db2.gz STRAGGQJVGIDRI-RUXDESIVSA-N 2 0 287.423 1.417 10 0 CDAERP COCC[NH2+]CC(C)(C)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001505833435 974997957 /nfs/dbraw/zinc/99/79/57/974997957.db2.gz HFZRYYBPHYKSMD-CQSZACIVSA-N 2 0 299.459 1.049 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001377406475 975009628 /nfs/dbraw/zinc/00/96/28/975009628.db2.gz XEIWRTABVXDVDR-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@@H](C)C[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001377556372 975072261 /nfs/dbraw/zinc/07/22/61/975072261.db2.gz CLSROGTZTURPNI-CQSZACIVSA-N 2 0 293.455 1.709 10 0 CDAERP CCCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001377672200 975106275 /nfs/dbraw/zinc/10/62/75/975106275.db2.gz FENGBMMZFNXBJU-HZPDHXFCSA-N 2 0 295.471 1.907 10 0 CDAERP Cc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CC[NH+](C)C)cc1 ZINC001377845532 975154509 /nfs/dbraw/zinc/15/45/09/975154509.db2.gz DOCTWQRJZAZBAN-HUUCEWRRSA-N 2 0 291.439 1.930 10 0 CDAERP C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)[C@@H](C)[NH2+]CC1CC1 ZINC001377867449 975158689 /nfs/dbraw/zinc/15/86/89/975158689.db2.gz YAOZAOCIKHWGAX-ZIAGYGMSSA-N 2 0 281.444 1.611 10 0 CDAERP CC[NH+]1CC([C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001506640528 975195188 /nfs/dbraw/zinc/19/51/88/975195188.db2.gz JOWNQDOMUPSZTE-LBPRGKRZSA-N 2 0 267.417 1.317 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC(C)C ZINC001378049395 975220939 /nfs/dbraw/zinc/22/09/39/975220939.db2.gz AKSJWHBGDLXUCP-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@H](CC(=O)NC[C@@H](C)[N@H+](C)CCCF)n1ccnc1 ZINC001378146530 975260920 /nfs/dbraw/zinc/26/09/20/975260920.db2.gz UTVOTVIOPJLKDR-CHWSQXEVSA-N 2 0 284.379 1.630 10 0 CDAERP CC(C)[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCF ZINC001506985869 975284547 /nfs/dbraw/zinc/28/45/47/975284547.db2.gz RLRJCCOYOFGNEQ-MGPQQGTHSA-N 2 0 287.423 1.417 10 0 CDAERP C[C@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCC1CC1 ZINC001507086030 975331336 /nfs/dbraw/zinc/33/13/36/975331336.db2.gz ARBCINKXVXOHLF-UKRRQHHQSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@H](C(=O)NC[C@H]1CCCCC[N@@H+]1CCOC)[NH+](C)C ZINC001378518209 975373790 /nfs/dbraw/zinc/37/37/90/975373790.db2.gz JUEKGTDXMZDZCR-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP CCCN(C(=O)C[NH+]1CC[C@@H](C)C1)[C@@H]1CC[N@H+](CC)C1 ZINC001404427706 975388543 /nfs/dbraw/zinc/38/85/43/975388543.db2.gz NJJXFSWTEPNQGK-HUUCEWRRSA-N 2 0 281.444 1.661 10 0 CDAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C[NH2+]CC1CCCC1 ZINC001378611549 975415877 /nfs/dbraw/zinc/41/58/77/975415877.db2.gz WUMIITJHGPRHRY-GJZGRUSLSA-N 2 0 295.471 1.860 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+]C[C@H]1CCCOC1 ZINC001378645746 975427907 /nfs/dbraw/zinc/42/79/07/975427907.db2.gz VTSXKESGLTWTIQ-LSDHHAIUSA-N 2 0 299.459 1.095 10 0 CDAERP CO[C@H](C)C[NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C ZINC001507442431 975472653 /nfs/dbraw/zinc/47/26/53/975472653.db2.gz HLOJLVAMYWJSAK-KGLIPLIRSA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCO)[C@@H]1CC)[NH+](CC)CC ZINC001397189467 975493369 /nfs/dbraw/zinc/49/33/69/975493369.db2.gz CEPMFTKKFDZIDV-ZNMIVQPWSA-N 2 0 299.459 1.068 10 0 CDAERP CC(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001378866294 975520453 /nfs/dbraw/zinc/52/04/53/975520453.db2.gz JCMZQBHIUCWYJZ-KKUMJFAQSA-N 2 0 283.460 1.713 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccc(F)cc1)N(C)C(=O)CC[NH+](C)C ZINC001401237857 975536697 /nfs/dbraw/zinc/53/66/97/975536697.db2.gz KLFYNNHWWKEUIM-ZDUSSCGKSA-N 2 0 295.402 1.714 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@H](C)C1CC[NH+](CC)CC1 ZINC001508065924 975597764 /nfs/dbraw/zinc/59/77/64/975597764.db2.gz HBSQMEZNWLWSQU-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C[NH2+]CC)C1CC1 ZINC001379020526 975600739 /nfs/dbraw/zinc/60/07/39/975600739.db2.gz KZJKSXLYPSMXGV-LSDHHAIUSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[NH2+]CCOCCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001508181689 975629931 /nfs/dbraw/zinc/62/99/31/975629931.db2.gz YNQLKWXOJIYYGH-UHFFFAOYSA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1ncc(C)s1)[NH+](C)C ZINC001379579130 975933252 /nfs/dbraw/zinc/93/32/52/975933252.db2.gz ACXPOGKJSGJMED-CMPLNLGQSA-N 2 0 298.456 1.386 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CCC(F)(F)F)C1 ZINC001389875978 976014199 /nfs/dbraw/zinc/01/41/99/976014199.db2.gz NFTOQUSIQHKJKE-MGCOHNPYSA-N 2 0 281.322 1.127 10 0 CDAERP C[C@H](C[N@H+](C)CC1CC1)NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001379693645 976014950 /nfs/dbraw/zinc/01/49/50/976014950.db2.gz SJCFRZZVRABDGC-HIFRSBDPSA-N 2 0 281.444 1.707 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)COC)C1 ZINC001389984449 976073939 /nfs/dbraw/zinc/07/39/39/976073939.db2.gz UXPOQUKSBYLBBE-APIJFGDWSA-N 2 0 297.443 1.133 10 0 CDAERP O=C(N[C@H]1C[C@@H]([NH2+]C/C=C\Cl)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001398620560 976078958 /nfs/dbraw/zinc/07/89/58/976078958.db2.gz MGLNQQZBTWTSIZ-SIWQBESNSA-N 2 0 297.830 1.318 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001402082979 976115228 /nfs/dbraw/zinc/11/52/28/976115228.db2.gz CWLYIWVPUXUCAR-CABCVRRESA-N 2 0 295.471 1.955 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@](C)(C[NH2+]CC3CC3)C2)C1 ZINC001402170752 976160338 /nfs/dbraw/zinc/16/03/38/976160338.db2.gz KAEYDOBHWXSSKK-WBVHZDCISA-N 2 0 293.455 1.566 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CC[NH+]1CCCF ZINC001379989324 976166904 /nfs/dbraw/zinc/16/69/04/976166904.db2.gz XNDLDFIZLIRGEC-KGLIPLIRSA-N 2 0 285.407 1.411 10 0 CDAERP CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001402193235 976171703 /nfs/dbraw/zinc/17/17/03/976171703.db2.gz KGSSKZSMUOOGRC-DZKIICNBSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)[C@H](C(=O)NC[C@@H]1CC[N@@H+]1CC1CCCC1)[NH+](C)C ZINC001380006441 976178971 /nfs/dbraw/zinc/17/89/71/976178971.db2.gz FHYVOMSXDKFODQ-JKSUJKDBSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)N(CC[N@H+](C)CCCF)C(=O)[C@H]1CCC[NH+]1C ZINC001380016268 976186868 /nfs/dbraw/zinc/18/68/68/976186868.db2.gz WTBLDSKJPNWUGJ-CQSZACIVSA-N 2 0 287.423 1.609 10 0 CDAERP CC(C)[NH2+]C[C@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)(C)C ZINC001380071986 976231819 /nfs/dbraw/zinc/23/18/19/976231819.db2.gz IRMJCSPGSSECMR-CABCVRRESA-N 2 0 295.471 1.857 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH2+]CCF)C1CC1 ZINC001402337132 976242922 /nfs/dbraw/zinc/24/29/22/976242922.db2.gz HHFGAPYMKWABMO-GJZGRUSLSA-N 2 0 299.434 1.703 10 0 CDAERP CC[C@H](C)C[NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001402365239 976253133 /nfs/dbraw/zinc/25/31/33/976253133.db2.gz OYVULJOYSUATHR-ZFWWWQNUSA-N 2 0 293.455 1.613 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CC2)CC1 ZINC001402415953 976271580 /nfs/dbraw/zinc/27/15/80/976271580.db2.gz ZSIIAXFUZOOKHT-WKILWMFISA-N 2 0 295.471 1.860 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1cncs1)[NH+](C)C ZINC001398972828 976274229 /nfs/dbraw/zinc/27/42/29/976274229.db2.gz IWYXTKJYTDVGNR-CMPLNLGQSA-N 2 0 284.429 1.078 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001402463344 976294484 /nfs/dbraw/zinc/29/44/84/976294484.db2.gz PZTDMVKQVVFETG-STQMWFEESA-N 2 0 283.391 1.021 10 0 CDAERP C[C@@H](C[N@H+](C)CCC1CCOCC1)NC(=O)CC[NH+](C)C ZINC001406658747 976339397 /nfs/dbraw/zinc/33/93/97/976339397.db2.gz VNVLDDRTBWDJLS-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CCCC1 ZINC001399116416 976348889 /nfs/dbraw/zinc/34/88/89/976348889.db2.gz ODDZGGQULNQPRD-ZFWWWQNUSA-N 2 0 281.444 1.613 10 0 CDAERP CN(CCC[N@H+](C)CC1CCCC1)C(=O)CC[NH+](C)C ZINC001402649047 976425811 /nfs/dbraw/zinc/42/58/11/976425811.db2.gz MWBFNIANMRHYCF-UHFFFAOYSA-N 2 0 283.460 1.909 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H]([NH2+]C/C=C/Cl)C2)C1 ZINC001402760913 976469532 /nfs/dbraw/zinc/46/95/32/976469532.db2.gz MBFLXRQZKUFBMI-DZYGNGBISA-N 2 0 299.846 1.661 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]C/C=C/Cl)CC1 ZINC001402776608 976478169 /nfs/dbraw/zinc/47/81/69/976478169.db2.gz YSCNSOUDWZLWAL-FLUIGGAXSA-N 2 0 299.846 1.804 10 0 CDAERP C[C@H]([NH2+]CCF)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001380669770 976507952 /nfs/dbraw/zinc/50/79/52/976507952.db2.gz QTDQYHDDKGTWRK-KBPBESRZSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC1CC1 ZINC001407029881 976518161 /nfs/dbraw/zinc/51/81/61/976518161.db2.gz OEZVTMRZWFGNJF-IYBDPMFKSA-N 2 0 293.455 1.802 10 0 CDAERP CCC(CC)C[NH+]1CC(N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001407052975 976529028 /nfs/dbraw/zinc/52/90/28/976529028.db2.gz ILPYHQFXZWGQLN-UHFFFAOYSA-N 2 0 295.471 1.907 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C ZINC001380772116 976544561 /nfs/dbraw/zinc/54/45/61/976544561.db2.gz WOTGXFLYNPXYOS-HUUCEWRRSA-N 2 0 281.444 1.659 10 0 CDAERP C[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)CC1CCCCC1 ZINC001390842696 976557486 /nfs/dbraw/zinc/55/74/86/976557486.db2.gz BSWYJDQOOHGXPF-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccsc1 ZINC001402902738 976573455 /nfs/dbraw/zinc/57/34/55/976573455.db2.gz BWQJIXMZFMSXPT-TZMCWYRMSA-N 2 0 295.452 1.827 10 0 CDAERP CC[N@H+](CCCF)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001390962993 976624698 /nfs/dbraw/zinc/62/46/98/976624698.db2.gz WHOMVDFINXPSOO-UHFFFAOYSA-N 2 0 287.423 1.659 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1CCOC1CCC1 ZINC001391070425 976674741 /nfs/dbraw/zinc/67/47/41/976674741.db2.gz ZYYRXIFSJPJLDD-CQSZACIVSA-N 2 0 297.443 1.088 10 0 CDAERP CC1CC(C[N@@H+]2CCC[C@H]2CNC(=O)C[NH+]2CCCC2)C1 ZINC001399898080 976731395 /nfs/dbraw/zinc/73/13/95/976731395.db2.gz NLJTZACXJGQEJQ-GPANFISMSA-N 2 0 293.455 1.709 10 0 CDAERP CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001569829236 1170008194 /nfs/dbraw/zinc/00/81/94/1170008194.db2.gz VQPXPDKCJJWADV-OLZOCXBDSA-N 2 0 255.406 1.173 10 0 CDAERP CC(C)(C(=O)NCC1C[NH+](CC2CC2)C1)[NH+]1CCCC1 ZINC001391491015 976914798 /nfs/dbraw/zinc/91/47/98/976914798.db2.gz BVIZYJOVLIDZSG-UHFFFAOYSA-N 2 0 279.428 1.319 10 0 CDAERP CO[C@@H](C)C[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)c1cnc[nH]1 ZINC001403618197 977107815 /nfs/dbraw/zinc/10/78/15/977107815.db2.gz SLXNTENTGVBCSV-RYUDHWBXSA-N 2 0 296.415 1.159 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)C(C)C ZINC001391867532 977120859 /nfs/dbraw/zinc/12/08/59/977120859.db2.gz UFTNPDUJIBGSHV-ZIAGYGMSSA-N 2 0 287.423 1.655 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCC2CC2)C(C)(C)C1 ZINC001403811897 977209862 /nfs/dbraw/zinc/20/98/62/977209862.db2.gz DCDIDBRLKMFEAB-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](C[NH2+]CC1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001392103967 977218876 /nfs/dbraw/zinc/21/88/76/977218876.db2.gz OFHLKPABTMUVPV-YDHLFZDLSA-N 2 0 281.444 1.563 10 0 CDAERP CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1conc1C)[NH+](C)C ZINC001392123788 977227826 /nfs/dbraw/zinc/22/78/26/977227826.db2.gz NWWQBQNCNVNFEO-FZMZJTMJSA-N 2 0 296.415 1.260 10 0 CDAERP CC[C@@H](C)C[N@H+](CC)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001403928068 977265380 /nfs/dbraw/zinc/26/53/80/977265380.db2.gz XIHIVJSBSRETST-CQSZACIVSA-N 2 0 281.444 1.566 10 0 CDAERP CC[C@H](C(=O)N(C)C1CC([NH2+]CC2CCC2)C1)[NH+](C)C ZINC001382578263 977311277 /nfs/dbraw/zinc/31/12/77/977311277.db2.gz JQNSIMJGSRHVBR-YMAMQOFZSA-N 2 0 281.444 1.706 10 0 CDAERP C[C@@H](C[NH2+]CC1CC1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001392595568 977499714 /nfs/dbraw/zinc/49/97/14/977499714.db2.gz MFECMXMFQYWCOG-KBPBESRZSA-N 2 0 281.444 1.755 10 0 CDAERP C[N@H+](CC(=O)N[C@@]1(C)CC[NH+](CCC2CC2)C1)C1CCC1 ZINC001393114130 977707542 /nfs/dbraw/zinc/70/75/42/977707542.db2.gz WKLZWRAGJQHPBI-KRWDZBQOSA-N 2 0 293.455 1.851 10 0 CDAERP CC[N@@H+]1CCC[C@@](C)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001393208966 977732783 /nfs/dbraw/zinc/73/27/83/977732783.db2.gz WCBWFTLGNKKXOJ-HNNXBMFYSA-N 2 0 279.428 1.320 10 0 CDAERP CC[NH2+]C1(CNC(=O)[C@H](CC)[NH+](CC)CC)CCOCC1 ZINC001393214426 977734298 /nfs/dbraw/zinc/73/42/98/977734298.db2.gz ICNORMPRSCTUKV-AWEZNQCLSA-N 2 0 299.459 1.382 10 0 CDAERP CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001393245406 977742941 /nfs/dbraw/zinc/74/29/41/977742941.db2.gz WCGVTFLSHALXJK-GFCCVEGCSA-N 2 0 289.370 1.176 10 0 CDAERP CC[NH+]1CCC2(CN(C(=O)CCC[NH+]3CCCC3)C2)CC1 ZINC001393500358 977805438 /nfs/dbraw/zinc/80/54/38/977805438.db2.gz HMMRBEBZENEPES-UHFFFAOYSA-N 2 0 293.455 1.807 10 0 CDAERP COCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001394301153 978129275 /nfs/dbraw/zinc/12/92/75/978129275.db2.gz QBRWKSXHZDKIAE-ZIAGYGMSSA-N 2 0 299.459 1.046 10 0 CDAERP CC(C)[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001394417540 978154564 /nfs/dbraw/zinc/15/45/64/978154564.db2.gz DPGRCBDYENYVNU-GJZGRUSLSA-N 2 0 281.444 1.706 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CCC(C)C)C[C@H]1C ZINC001394675437 978227204 /nfs/dbraw/zinc/22/72/04/978227204.db2.gz XKHYEOWKZRWNFE-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@H](F)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001396923374 978556451 /nfs/dbraw/zinc/55/64/51/978556451.db2.gz KSHDQDSFECRRRF-HZSPNIEDSA-N 2 0 287.423 1.513 10 0 CDAERP CC[C@H](C(=O)NC1CC(C[NH2+]C/C=C\Cl)C1)[NH+](C)C ZINC001674554600 1173962878 /nfs/dbraw/zinc/96/28/78/1173962878.db2.gz LYJUJNDBEAAJJN-QQKCOQGJSA-N 2 0 287.835 1.564 10 0 CDAERP CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001676346307 1174211334 /nfs/dbraw/zinc/21/13/34/1174211334.db2.gz DDOXJYGIVGCFBT-UONOGXRCSA-N 2 0 269.433 1.706 10 0 CDAERP CCC[NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)C(C)(C)C ZINC001677297947 1174347344 /nfs/dbraw/zinc/34/73/44/1174347344.db2.gz RSQJOKVZZQFFHO-ZDUSSCGKSA-N 2 0 281.444 1.613 10 0 CDAERP COCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001570853681 1170299527 /nfs/dbraw/zinc/29/95/27/1170299527.db2.gz GZUNMRHUPCJGBV-UKRRQHHQSA-N 2 0 299.459 1.046 10 0 CDAERP CO[C@H](C)C[NH2+]CCC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001571304907 1170361658 /nfs/dbraw/zinc/36/16/58/1170361658.db2.gz QJYMXFYMTSLKPR-ZIAGYGMSSA-N 2 0 299.459 1.238 10 0 CDAERP CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001571402295 1170414751 /nfs/dbraw/zinc/41/47/51/1170414751.db2.gz UEKXRBHIFPFBHO-AGIUHOORSA-N 2 0 255.406 1.173 10 0 CDAERP CC(C)COCC[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001656474336 1171828813 /nfs/dbraw/zinc/82/88/13/1171828813.db2.gz IPCORZDUNPCHBO-UHFFFAOYSA-N 2 0 298.471 1.972 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)CCOCC[NH+](C)CC)CC[N@@H+]1C ZINC001656860034 1171889104 /nfs/dbraw/zinc/88/91/04/1171889104.db2.gz KLDMPQCZKPUAPW-LSDHHAIUSA-N 2 0 299.459 1.143 10 0 CDAERP C[NH+](C)CCCC[NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000341709700 282083736 /nfs/dbraw/zinc/08/37/36/282083736.db2.gz LQCJJUAYFXCUMZ-CHWSQXEVSA-N 2 0 276.446 1.274 10 0 CDAERP CCN(CC)C(=O)C[C@H](C)[NH2+]CCC1(C[NH3+])CC1 ZINC000650743569 398171645 /nfs/dbraw/zinc/17/16/45/398171645.db2.gz WPXHSZITSFUFTG-LBPRGKRZSA-N 2 0 255.406 1.352 10 0 CDAERP CN(CC[NH+](C)C)Cc1[nH+]c(NN)ccc1Cl ZINC000082543494 178089032 /nfs/dbraw/zinc/08/90/32/178089032.db2.gz DWCFAJBPTXZWSZ-UHFFFAOYSA-N 2 0 257.769 1.014 10 0 CDAERP C[C@H]([NH2+]CCCC[NH+]1CCOCC1)[C@@H]1CCOC1 ZINC000158750974 398206365 /nfs/dbraw/zinc/20/63/65/398206365.db2.gz IAVGOZSPRUOEOK-UONOGXRCSA-N 2 0 256.390 1.113 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000624948845 342023481 /nfs/dbraw/zinc/02/34/81/342023481.db2.gz PESNVTFWLJEEMY-MJBXVCDLSA-N 2 0 280.416 1.007 10 0 CDAERP CN(C)c1cc[nH+]cc1C(=O)NCC1=CC[N@H+](C)CC1 ZINC000273855337 192336227 /nfs/dbraw/zinc/33/62/27/192336227.db2.gz NRCAQJATRBTUKA-UHFFFAOYSA-N 2 0 274.368 1.139 10 0 CDAERP COC(=O)C1(C[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000590700612 342582255 /nfs/dbraw/zinc/58/22/55/342582255.db2.gz YQHYHHXSUVCPQW-UHFFFAOYSA-N 2 0 275.352 1.157 10 0 CDAERP C[C@@H](CNC(=O)c1ccc(C[NH3+])cc1)[NH+]1CCCC1 ZINC000125668169 342067017 /nfs/dbraw/zinc/06/70/17/342067017.db2.gz NIEXOEMADKMZEC-LBPRGKRZSA-N 2 0 261.369 1.359 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)NCC1CC[NH+](C)CC1 ZINC000650847982 398243999 /nfs/dbraw/zinc/24/39/99/398243999.db2.gz MPUPCLCDRSQFRG-UHFFFAOYSA-N 2 0 298.475 1.605 10 0 CDAERP CC[NH+](CC)CC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000617013481 342604848 /nfs/dbraw/zinc/60/48/48/342604848.db2.gz VFXKJPYPWOABSL-GFCCVEGCSA-N 2 0 255.406 1.317 10 0 CDAERP CC[N@@H+]1CCC[C@@H](CNC(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC000591571887 342637312 /nfs/dbraw/zinc/63/73/12/342637312.db2.gz XYJXMLNFWMGCGX-KBPBESRZSA-N 2 0 282.432 1.112 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC1CC[NH+](CC2CC2)CC1 ZINC000629389999 361894577 /nfs/dbraw/zinc/89/45/77/361894577.db2.gz DZQRYRXRIXUFFT-LSDHHAIUSA-N 2 0 251.418 1.591 10 0 CDAERP COC(=O)[C@@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)C[C@H]1C1CC1 ZINC000593316228 342787987 /nfs/dbraw/zinc/78/79/87/342787987.db2.gz BCUHXQFCOVCTFX-GZBFAFLISA-N 2 0 266.385 1.117 10 0 CDAERP [NH3+]C1(C[NH2+]Cc2ccnc3ccccc23)CCOCC1 ZINC000629388588 361906071 /nfs/dbraw/zinc/90/60/71/361906071.db2.gz UKELNSHECCDXIA-UHFFFAOYSA-N 2 0 271.364 1.832 10 0 CDAERP C[C@H]1CC[C@@H](NC2CC[NH+](Cc3ccccn3)CC2)C[NH2+]1 ZINC000629395906 361913296 /nfs/dbraw/zinc/91/32/96/361913296.db2.gz HMQKENHNWQTHSN-GOEBONIOSA-N 2 0 288.439 1.776 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCCc1ccccc1 ZINC000234717184 536595202 /nfs/dbraw/zinc/59/52/02/536595202.db2.gz WEQFWXWWVQWDOV-OAHLLOKOSA-N 2 0 250.386 1.963 10 0 CDAERP CC(C)(C)c1n[nH]cc1C[NH2+]CCOCCC[NH3+] ZINC000629397739 361928552 /nfs/dbraw/zinc/92/85/52/361928552.db2.gz CDBGJHLEOFSRMJ-UHFFFAOYSA-N 2 0 254.378 1.162 10 0 CDAERP [NH3+]CCCOCC[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000629397734 361929125 /nfs/dbraw/zinc/92/91/25/361929125.db2.gz BZTVLXPSRPYUNC-UHFFFAOYSA-N 2 0 291.439 1.606 10 0 CDAERP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]C1CCC(c2ccccc2)CC1 ZINC000263137301 361930228 /nfs/dbraw/zinc/93/02/28/361930228.db2.gz CBOGQTZZUQMMQG-MYBQVCMBSA-N 2 0 274.408 1.883 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333732381 539054837 /nfs/dbraw/zinc/05/48/37/539054837.db2.gz HZKYWBPUOINZEV-QLFBSQMISA-N 2 0 296.459 1.548 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCCC[NH+](C)C ZINC000594272548 342883853 /nfs/dbraw/zinc/88/38/53/342883853.db2.gz IKBMKGVMTRCYIP-KBPBESRZSA-N 2 0 284.448 1.500 10 0 CDAERP COC(=O)CCCC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000600709792 342243535 /nfs/dbraw/zinc/24/35/35/342243535.db2.gz JHOOFPGBKKCZJO-UONOGXRCSA-N 2 0 268.401 1.794 10 0 CDAERP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)[C@@H]1CCCCO1 ZINC000623853987 342261616 /nfs/dbraw/zinc/26/16/16/342261616.db2.gz NXXDTYIMJVSILE-GJZGRUSLSA-N 2 0 269.433 1.171 10 0 CDAERP CCC[NH+]1CCC([NH2+][C@@H](C)Cn2cncn2)CC1 ZINC000164113938 539123863 /nfs/dbraw/zinc/12/38/63/539123863.db2.gz ZYZBGBYWGAKHLF-LBPRGKRZSA-N 2 0 251.378 1.131 10 0 CDAERP C[C@@H](CSCCF)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000595008562 342990000 /nfs/dbraw/zinc/99/00/00/342990000.db2.gz VJWSUXWLLJJFBD-ZDUSSCGKSA-N 2 0 291.480 1.693 10 0 CDAERP [NH3+]CC1(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)CCCC1 ZINC000645105290 362118426 /nfs/dbraw/zinc/11/84/26/362118426.db2.gz YOIHXZFCIFJZAI-UONOGXRCSA-N 2 0 279.428 1.496 10 0 CDAERP O=C(c1ccc2c(c1)C[NH2+]C2)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645104931 362118586 /nfs/dbraw/zinc/11/85/86/362118586.db2.gz CWOCFCYPYLIKFH-RDJZCZTQSA-N 2 0 299.418 1.894 10 0 CDAERP CCO[C@H]1C[C@H]([NH2+]CC2([NH3+])CCOCC2)C12CCCC2 ZINC000629522949 362143065 /nfs/dbraw/zinc/14/30/65/362143065.db2.gz CPWCZAZMNXBNPF-KBPBESRZSA-N 2 0 282.428 1.822 10 0 CDAERP CCO[C@@H]1C[C@@H]([NH2+]CC2([NH3+])CCOCC2)C12CCCC2 ZINC000629522952 362143280 /nfs/dbraw/zinc/14/32/80/362143280.db2.gz CPWCZAZMNXBNPF-ZIAGYGMSSA-N 2 0 282.428 1.822 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000629527821 362153312 /nfs/dbraw/zinc/15/33/12/362153312.db2.gz HBENIQQJJISVOM-BTFPBAQTSA-N 2 0 251.418 1.637 10 0 CDAERP CC[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)C1(C(=O)OC)CCC1 ZINC000596655933 343364110 /nfs/dbraw/zinc/36/41/10/343364110.db2.gz ZVVWXEPBBSTGJX-MBHSVXNSSA-N 2 0 266.385 1.450 10 0 CDAERP C[C@@H](CNC(=O)N[C@@H]1CCC[N@H+](C)C1)[NH+]1CCC(C)CC1 ZINC000620820907 342444505 /nfs/dbraw/zinc/44/45/05/342444505.db2.gz JARAWSJOPKUVOQ-LSDHHAIUSA-N 2 0 296.459 1.500 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000354871304 365743589 /nfs/dbraw/zinc/74/35/89/365743589.db2.gz MVUNVYKLRNCFKO-CVEARBPZSA-N 2 0 295.471 1.907 10 0 CDAERP CSC[C@@H](CCO)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000598965432 343930867 /nfs/dbraw/zinc/93/08/67/343930867.db2.gz MHZCNVZGMSDSEG-NWDGAFQWSA-N 2 0 260.447 1.563 10 0 CDAERP COc1ccccc1/C=C/CN1CCN(C)C[C@H]1C[NH3+] ZINC000572721678 362292698 /nfs/dbraw/zinc/29/26/98/362292698.db2.gz ADWCSYUDPYZDCO-KEDPEKRHSA-N 2 0 275.396 1.283 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NCC[N@H+](CC)C1CC1 ZINC000101981066 362546135 /nfs/dbraw/zinc/54/61/35/362546135.db2.gz JWQUYOIJJRDLAV-CYBMUJFWSA-N 2 0 284.448 1.500 10 0 CDAERP C[C@H](C[NH2+]C[C@H]1C[NH2+]C[C@H]1O)c1ccc(F)cc1 ZINC000263286961 362568306 /nfs/dbraw/zinc/56/83/06/362568306.db2.gz VDKVGQICCSXCLO-SCDSUCTJSA-N 2 0 252.333 1.099 10 0 CDAERP CCN(C(=O)C[NH+]1CCC(C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000617553416 345849078 /nfs/dbraw/zinc/84/90/78/345849078.db2.gz IBYZDPBBXJNELO-AWEZNQCLSA-N 2 0 267.417 1.271 10 0 CDAERP COCC1CC[NH+](CCCC[C@@](C)([NH3+])CO)CC1 ZINC000085211811 178974218 /nfs/dbraw/zinc/97/42/18/178974218.db2.gz QXHNLAPQUSHNPO-CQSZACIVSA-N 2 0 258.406 1.225 10 0 CDAERP C[C@H](Cn1ccnc1)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623356513 346084158 /nfs/dbraw/zinc/08/41/58/346084158.db2.gz VABDFNNTSHFKDY-OLZOCXBDSA-N 2 0 250.390 1.734 10 0 CDAERP CCOC1CC[NH+](CCCC[C@@](C)(O)C[NH3+])CC1 ZINC000085300526 179009931 /nfs/dbraw/zinc/00/99/31/179009931.db2.gz SEBGPFBKAUJBLK-CQSZACIVSA-N 2 0 258.406 1.367 10 0 CDAERP C[N@H+](CCCC[C@](C)(O)C[NH3+])CCc1ccncc1 ZINC000085300462 179010475 /nfs/dbraw/zinc/01/04/75/179010475.db2.gz GJJVQACIYHTYBK-HNNXBMFYSA-N 2 0 265.401 1.436 10 0 CDAERP CC(C)(C)C1CC[NH+](C[C@](O)(C[NH3+])C2CC2)CC1 ZINC000085302111 179011519 /nfs/dbraw/zinc/01/15/19/179011519.db2.gz MQJHGKIFJTZUNC-OAHLLOKOSA-N 2 0 254.418 1.844 10 0 CDAERP CC[NH+]1CCC(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000085369715 179039774 /nfs/dbraw/zinc/03/97/74/179039774.db2.gz JBYIATSEFCEULD-STQMWFEESA-N 2 0 253.390 1.104 10 0 CDAERP CNC(=O)[C@H](C)[N@@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403725 179053020 /nfs/dbraw/zinc/05/30/20/179053020.db2.gz QWWJPFLKSBZAFT-GXTWGEPZSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@@H](C[N@@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1)C(N)=O ZINC000085403671 179053280 /nfs/dbraw/zinc/05/32/80/179053280.db2.gz GTGNCVHJWZEOII-GXTWGEPZSA-N 2 0 267.417 1.352 10 0 CDAERP Cc1cc(Br)ccc1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000263299911 362726624 /nfs/dbraw/zinc/72/66/24/362726624.db2.gz WXTRUARKFGMNOX-YPMHNXCESA-N 2 0 299.212 1.427 10 0 CDAERP CC(C)c1nc2c(n1[C@H]1CCC[N@H+](C)C1)CC[NH2+]C2 ZINC000085572158 179096917 /nfs/dbraw/zinc/09/69/17/179096917.db2.gz JTHOEDBSGCQQSF-LBPRGKRZSA-N 2 0 262.401 1.919 10 0 CDAERP CCCc1nc2c(n1C[C@@H]1CCC[N@H+](C)C1)CC[NH2+]C2 ZINC000085572770 179098736 /nfs/dbraw/zinc/09/87/36/179098736.db2.gz QSYQLTGRLHXIDN-CYBMUJFWSA-N 2 0 276.428 1.823 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1CC[NH3+] ZINC000226081738 346515525 /nfs/dbraw/zinc/51/55/25/346515525.db2.gz YTGPILIQPHALJA-ZDUSSCGKSA-N 2 0 261.369 1.012 10 0 CDAERP CC[C@H](C)[C@H]1C[N@H+](CCCn2ccnc2)CCC[NH2+]1 ZINC000085608965 179100901 /nfs/dbraw/zinc/10/09/01/179100901.db2.gz KNAQINLDXJIRHY-LSDHHAIUSA-N 2 0 264.417 1.983 10 0 CDAERP CC(C)(C)[C@H]1C[N@H+](CCCn2ccnc2)CCC[NH2+]1 ZINC000085613524 179103233 /nfs/dbraw/zinc/10/32/33/179103233.db2.gz JZDHFZFTJMHGIZ-CQSZACIVSA-N 2 0 264.417 1.983 10 0 CDAERP C[C@H]1C[NH2+]CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000306635893 362835695 /nfs/dbraw/zinc/83/56/95/362835695.db2.gz LNSZDSDSGMOZPM-RDJZCZTQSA-N 2 0 273.424 1.802 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CN2CC[NH2+][C@H](C3CC3)C2)C1 ZINC000086146574 179238688 /nfs/dbraw/zinc/23/86/88/179238688.db2.gz KOKLUAUFBDNUJM-ZFWWWQNUSA-N 2 0 251.418 1.401 10 0 CDAERP CC[C@H]1C[NH2+][C@@H](C2CC2)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086223963 179253037 /nfs/dbraw/zinc/25/30/37/179253037.db2.gz JWPAUVKIXQURCF-RRFJBIMHSA-N 2 0 251.418 1.543 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H](CO)C2CCOCC2)CC1(C)C ZINC000623489212 347600869 /nfs/dbraw/zinc/60/08/69/347600869.db2.gz VFKTZVNECFHWAB-KBPBESRZSA-N 2 0 270.417 1.236 10 0 CDAERP C[C@H]1CN[C@@H](C2CC2)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086259105 179257619 /nfs/dbraw/zinc/25/76/19/179257619.db2.gz QVMQZKROWHIWRL-SWLSCSKDSA-N 2 0 251.418 1.401 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)NCCC1CC[NH+](C)CC1 ZINC000185965006 362883943 /nfs/dbraw/zinc/88/39/43/362883943.db2.gz XHWPUMPMAJZBBD-UHFFFAOYSA-N 2 0 284.448 1.311 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000336103573 362917462 /nfs/dbraw/zinc/91/74/62/362917462.db2.gz KDMADWPFVQPNFR-YGRLFVJLSA-N 2 0 259.353 1.018 10 0 CDAERP CC[NH+](CC)CC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000073949358 349188725 /nfs/dbraw/zinc/18/87/25/349188725.db2.gz QBVNARSBDPLBMV-KGLIPLIRSA-N 2 0 269.433 1.517 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC000074027469 349194869 /nfs/dbraw/zinc/19/48/69/349194869.db2.gz JABDOYOSBXGWNS-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP COc1ccc([C@H](C)[NH2+]CCOCCC[NH3+])cc1O ZINC000629536722 362950744 /nfs/dbraw/zinc/95/07/44/362950744.db2.gz GYJWUGTZMWBKJO-NSHDSACASA-N 2 0 268.357 1.417 10 0 CDAERP COc1cccc([C@@H](C)[NH2+]CCOCCC[NH3+])c1 ZINC000629542047 362966343 /nfs/dbraw/zinc/96/63/43/362966343.db2.gz XOLZGXBYYZLLAA-GFCCVEGCSA-N 2 0 252.358 1.711 10 0 CDAERP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc2oc(=O)n(C)c2c1 ZINC000629545209 362970979 /nfs/dbraw/zinc/97/09/79/362970979.db2.gz CKJHPEZJODMEDM-NXEZZACHSA-N 2 0 263.341 1.347 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc2oc(=O)n(C)c2c1 ZINC000629545221 362971001 /nfs/dbraw/zinc/97/10/01/362971001.db2.gz CKJHPEZJODMEDM-VHSXEESVSA-N 2 0 263.341 1.347 10 0 CDAERP CC(C)c1nc(N(C)C)nc(N2CCC3(CC[NH2+]3)CC2)n1 ZINC000333326824 362974676 /nfs/dbraw/zinc/97/46/76/362974676.db2.gz VKYHKWZEKBQZSM-UHFFFAOYSA-N 2 0 290.415 1.393 10 0 CDAERP O=C(CC[C@H]1CCC[NH2+]C1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000621645807 350689156 /nfs/dbraw/zinc/68/91/56/350689156.db2.gz MKIRXFXELIINKA-CYBMUJFWSA-N 2 0 299.378 1.986 10 0 CDAERP CC(C)(C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C(=O)N1CCCC1 ZINC000629548292 362976443 /nfs/dbraw/zinc/97/64/43/362976443.db2.gz NDDRMONHYXPHAX-SOUVJXGZSA-N 2 0 293.455 1.613 10 0 CDAERP CCn1nccc1CC[NH+]1CCC(OCCC[NH3+])CC1 ZINC000621774072 350770433 /nfs/dbraw/zinc/77/04/33/350770433.db2.gz KATYGQGKXVTTGZ-UHFFFAOYSA-N 2 0 280.416 1.275 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)[C@@H]1OC ZINC000628238962 362983777 /nfs/dbraw/zinc/98/37/77/362983777.db2.gz WVULVXGJCYTTJL-RQJABVFESA-N 2 0 270.417 1.641 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)[C@H](C)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000629565263 363015970 /nfs/dbraw/zinc/01/59/70/363015970.db2.gz DWDXRHKLKMULHV-RBSFLKMASA-N 2 0 299.459 1.047 10 0 CDAERP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)[C@@H]1CCCCO1 ZINC000623859358 351302116 /nfs/dbraw/zinc/30/21/16/351302116.db2.gz KSVVFRYVWVNYPE-CABCVRRESA-N 2 0 283.460 1.560 10 0 CDAERP C[NH2+]CCC1CCN(C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000333639558 363072447 /nfs/dbraw/zinc/07/24/47/363072447.db2.gz HXLULPLPUXGQPF-AWEZNQCLSA-N 2 0 282.432 1.160 10 0 CDAERP Cc1noc([C@H]2OCC[C@H]2[NH2+][C@@H](C)C2CC[NH+](C)CC2)n1 ZINC000624303474 351540659 /nfs/dbraw/zinc/54/06/59/351540659.db2.gz DQCDYACKVMHDFU-GDLCADMTSA-N 2 0 294.399 1.528 10 0 CDAERP [NH3+][C@@H]1CC[C@@H]2CN(c3cc(N4CCCCC4)ncn3)C[C@H]12 ZINC000333931156 363232874 /nfs/dbraw/zinc/23/28/74/363232874.db2.gz ZUCZALGYHXFPRP-HZSPNIEDSA-N 2 0 287.411 1.640 10 0 CDAERP Cc1nc(N)nc(N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000396434198 366098146 /nfs/dbraw/zinc/09/81/46/366098146.db2.gz KCNSPENTHQWXTP-GFCCVEGCSA-N 2 0 298.394 1.303 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1c[nH]nc1-c1ccccc1 ZINC000629653524 363252888 /nfs/dbraw/zinc/25/28/88/363252888.db2.gz PINFJGNKHWCVFV-UHFFFAOYSA-N 2 0 288.395 1.745 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)CCCc1ccc(C)nc1 ZINC000629655019 363257916 /nfs/dbraw/zinc/25/79/16/363257916.db2.gz VTSPVSIGNSYJHA-UHFFFAOYSA-N 3 0 265.401 1.490 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000333947570 363254897 /nfs/dbraw/zinc/25/48/97/363254897.db2.gz VRAZHRPKRMQEJD-KGLIPLIRSA-N 2 0 282.432 1.160 10 0 CDAERP c1cc2c(cc1N[C@@H]1CC[C@H]3C[NH2+]C[C@@H]3C1)OCC[NH2+]C2 ZINC000629665910 363304598 /nfs/dbraw/zinc/30/45/98/363304598.db2.gz YMWKFYUDJDNMHU-AEGPPILISA-N 2 0 287.407 1.969 10 0 CDAERP C(O[C@H]1CC[NH2+]C1)C1CC[NH+](C[C@H]2CCSC2)CC1 ZINC000629673535 363319879 /nfs/dbraw/zinc/31/98/79/363319879.db2.gz UFJGVHIESLTNRZ-CABCVRRESA-N 2 0 284.469 1.830 10 0 CDAERP COc1ccc2nc(C[NH2+]CCOCCC[NH3+])sc2c1 ZINC000629677765 363327650 /nfs/dbraw/zinc/32/76/50/363327650.db2.gz HAJMXEVFUQKMHQ-UHFFFAOYSA-N 2 0 295.408 1.760 10 0 CDAERP Cc1cc(C2([NH2+]C[C@H]3CC[NH2+][C@@H](C)C3)CCOCC2)on1 ZINC000629672449 363340545 /nfs/dbraw/zinc/34/05/45/363340545.db2.gz OJXYIZVGZRPHCC-JSGCOSHPSA-N 2 0 293.411 1.966 10 0 CDAERP C[NH+](C)Cc1cc(C[NH2+]C[C@@H](O)C(F)(F)F)ccc1F ZINC000644568372 366185806 /nfs/dbraw/zinc/18/58/06/366185806.db2.gz MRPCBBXRRWHQFF-GFCCVEGCSA-N 2 0 294.292 1.900 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCNC(=O)c2ccco2)[C@H]2CCC[C@@H]21 ZINC000367603224 283136268 /nfs/dbraw/zinc/13/62/68/283136268.db2.gz YLUSBQUHIUPJOP-RDBSUJKOSA-N 2 0 291.395 1.472 10 0 CDAERP CC(C)C[C@H]([NH3+])C(=O)NC1CCN(c2ccccn2)CC1 ZINC000037008453 356306038 /nfs/dbraw/zinc/30/60/38/356306038.db2.gz UZLQOWXVHXKOAV-AWEZNQCLSA-N 2 0 290.411 1.540 10 0 CDAERP CCN1CCC([NH2+][C@@H]2CCCN(c3ncccn3)C2)CC1 ZINC000037090097 356335278 /nfs/dbraw/zinc/33/52/78/356335278.db2.gz MBVDSIZPZBICGV-OAHLLOKOSA-N 2 0 289.427 1.519 10 0 CDAERP COC[C@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)OC ZINC000659947404 412627238 /nfs/dbraw/zinc/62/72/38/412627238.db2.gz KXCRWKDBMACRQE-KBPBESRZSA-N 2 0 256.390 1.066 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)CCc1ccco1 ZINC000234748529 140230889 /nfs/dbraw/zinc/23/08/89/140230889.db2.gz LRULZAGQBQSPLI-CHWSQXEVSA-N 2 0 254.374 1.944 10 0 CDAERP C[N@H+](CCCNC(=O)C[NH+]1CCCC1)CC1CCCC1 ZINC001660400586 1172208765 /nfs/dbraw/zinc/20/87/65/1172208765.db2.gz YNUIWSZVMKVXBK-UHFFFAOYSA-N 2 0 281.444 1.711 10 0 CDAERP CN(CC[NH+]1CCCCC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000636127185 363580145 /nfs/dbraw/zinc/58/01/45/363580145.db2.gz KASMFQJORXDOTH-AWEZNQCLSA-N 2 0 267.417 1.273 10 0 CDAERP C[C@H]([NH2+]C[C@@H](O)C[C@@](C)(O)C1CC1)C1=CC[N@H+](C)CC1 ZINC000634710768 357406509 /nfs/dbraw/zinc/40/65/09/357406509.db2.gz DSKHMKIOUFFUOF-VBNZEHGJSA-N 2 0 282.428 1.138 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2C[C@H](C)[NH+](C)C[C@H]2C)CC[N@@H+]1C ZINC000632253927 358198258 /nfs/dbraw/zinc/19/82/58/358198258.db2.gz GFGZLZRANGQXRN-RFQIPJPRSA-N 2 0 267.417 1.268 10 0 CDAERP CC[C@]1(C(=O)N2CCC(C[NH+]3CCCC3)CC2)CCC[NH2+]1 ZINC000128943857 358271722 /nfs/dbraw/zinc/27/17/22/358271722.db2.gz IQNPZJNNYDYJCG-QGZVFWFLSA-N 2 0 293.455 1.853 10 0 CDAERP CN(C)c1cc[nH+]cc1C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000277297117 366393580 /nfs/dbraw/zinc/39/35/80/366393580.db2.gz OSGYUQIBZBQKNX-ZDUSSCGKSA-N 2 0 290.411 1.704 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)C2([NH3+])CCOCC2)CC1 ZINC000132205235 358520749 /nfs/dbraw/zinc/52/07/49/358520749.db2.gz ZHDIIAVRCTUPGM-UHFFFAOYSA-N 2 0 297.443 1.075 10 0 CDAERP C[C@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)[C@H]1CCC[NH2+]C1 ZINC000569591886 358655723 /nfs/dbraw/zinc/65/57/23/358655723.db2.gz NIQUIQKBTWWCGK-XQQFMLRXSA-N 2 0 293.377 1.848 10 0 CDAERP CCC[C@](C)([NH3+])C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000251271974 140307860 /nfs/dbraw/zinc/30/78/60/140307860.db2.gz FIMMJWSIHNRZNN-JSGCOSHPSA-N 2 0 253.390 1.201 10 0 CDAERP O[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1C[NH2+]C1CC1 ZINC000100281667 358826400 /nfs/dbraw/zinc/82/64/00/358826400.db2.gz JBTXYSPDVSLCFG-ZBFHGGJFSA-N 2 0 260.381 1.621 10 0 CDAERP CC[C@@H](C(=O)NCCCC[NH+]1CCOCC1)[NH+](CC)CC ZINC000345779803 358883879 /nfs/dbraw/zinc/88/38/79/358883879.db2.gz CFCLZRANZKUSOH-HNNXBMFYSA-N 2 0 299.459 1.335 10 0 CDAERP CN(C(=O)CC[C@@H]1CC[NH2+]C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000261908457 359085880 /nfs/dbraw/zinc/08/58/80/359085880.db2.gz WDCJDQUTEWMIHL-TZMCWYRMSA-N 2 0 265.401 1.071 10 0 CDAERP C[N@H+](CCN[C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)C1CCCC1 ZINC000261932246 359094729 /nfs/dbraw/zinc/09/47/29/359094729.db2.gz LUODGSQMFIFGTE-BBWFWOEESA-N 2 0 295.471 1.608 10 0 CDAERP CC[C@@H](C)[C@@H](C)[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000347600639 359489220 /nfs/dbraw/zinc/48/92/20/359489220.db2.gz AWZVQSDMKYUNPH-CHWSQXEVSA-N 2 0 281.444 1.754 10 0 CDAERP C[C@H](O)C[N@H+](Cc1ccccc1)C[C@@]1(C)CC[NH2+]C1 ZINC000564975718 359551175 /nfs/dbraw/zinc/55/11/75/359551175.db2.gz MGQSCTQHGTXVMA-HOCLYGCPSA-N 2 0 262.397 1.869 10 0 CDAERP COC[C@@H]([NH2+][C@@H](CCC[NH3+])COC)c1ccc(C)o1 ZINC000423009446 359738473 /nfs/dbraw/zinc/73/84/73/359738473.db2.gz VPVCHQDXQXFUHS-QWHCGFSZSA-N 2 0 270.373 1.619 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)[C@H](C)O1 ZINC000423504587 359826858 /nfs/dbraw/zinc/82/68/58/359826858.db2.gz FXRRIYUNRLBAMS-AKZYDZMLSA-N 2 0 281.444 1.358 10 0 CDAERP CCC[C@H](C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)[NH+](C)C ZINC000163312091 359903119 /nfs/dbraw/zinc/90/31/19/359903119.db2.gz RKAVCCYNWUJNJB-LSDHHAIUSA-N 2 0 281.444 1.661 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CC2(C)COC2)CC1 ZINC000336825581 359895197 /nfs/dbraw/zinc/89/51/97/359895197.db2.gz ZFCVMUUWLJYAQV-OAHLLOKOSA-N 2 0 281.444 1.125 10 0 CDAERP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)CC2(O)CCC2)C1 ZINC000528399442 359931296 /nfs/dbraw/zinc/93/12/96/359931296.db2.gz YGQRNVLADPHWII-HZPDHXFCSA-N 2 0 296.455 1.316 10 0 CDAERP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)CC2(O)CCC2)C1 ZINC000528399437 359931614 /nfs/dbraw/zinc/93/16/14/359931614.db2.gz YGQRNVLADPHWII-CVEARBPZSA-N 2 0 296.455 1.316 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1(C)CC[NH+](C)CC1 ZINC000356917938 366631243 /nfs/dbraw/zinc/63/12/43/366631243.db2.gz OZMGESBXRHMQAV-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H]1CN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CC[NH2+]1 ZINC000335409752 360232322 /nfs/dbraw/zinc/23/23/22/360232322.db2.gz KSXFRGZUFGAZCR-STQMWFEESA-N 2 0 253.390 1.071 10 0 CDAERP c1nc(C2CC2)oc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000628203812 360283682 /nfs/dbraw/zinc/28/36/82/360283682.db2.gz XPNKEZXIGUUPHF-UHFFFAOYSA-N 2 0 279.384 1.754 10 0 CDAERP CC1(C)CN(C(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC[NH2+]1 ZINC000335526067 360313193 /nfs/dbraw/zinc/31/31/93/360313193.db2.gz SXKFMHOBTUQMOO-QWHCGFSZSA-N 2 0 267.417 1.495 10 0 CDAERP [NH3+][C@H]1CCC[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000566481251 360448371 /nfs/dbraw/zinc/44/83/71/360448371.db2.gz BRBAMIGMVLPLHX-UIDBIOKJSA-N 3 0 280.460 1.062 10 0 CDAERP [NH3+][C@H](CNC(=O)NC1CC([NH+]2CCCCC2)C1)C1CC1 ZINC000515047955 360435418 /nfs/dbraw/zinc/43/54/18/360435418.db2.gz XZFFPWQNMGXYPC-JXQTWKCFSA-N 2 0 280.416 1.040 10 0 CDAERP C[NH+]1CCN(C[C@H](O)C[NH2+]CCC(C)(C)C2CC2)CC1 ZINC000515467504 360500449 /nfs/dbraw/zinc/50/04/49/360500449.db2.gz AGGHHIWKMZSXOP-OAHLLOKOSA-N 2 0 283.460 1.011 10 0 CDAERP Cc1ncc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)n1C ZINC000516088659 360562118 /nfs/dbraw/zinc/56/21/18/360562118.db2.gz ILGAHLACEWFTPT-AGUYFDCRSA-N 3 0 262.401 1.833 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000335611428 360547755 /nfs/dbraw/zinc/54/77/55/360547755.db2.gz CAUMNIAWTFXKKS-ZIAGYGMSSA-N 2 0 296.459 1.500 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000626942771 360667633 /nfs/dbraw/zinc/66/76/33/360667633.db2.gz QSOBUBBVKNQRKC-LSDHHAIUSA-N 2 0 294.443 1.301 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000261575676 360719611 /nfs/dbraw/zinc/71/96/11/360719611.db2.gz ZWNOCPLMXZAXKS-DGAVXFQQSA-N 2 0 265.401 1.118 10 0 CDAERP C[C@H](CNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)[NH+]1CCC(C)CC1 ZINC000626953258 360697447 /nfs/dbraw/zinc/69/74/47/360697447.db2.gz OLYBIHPCTNICOI-KFWWJZLASA-N 2 0 296.459 1.547 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000417310462 296022511 /nfs/dbraw/zinc/02/25/11/296022511.db2.gz KCTKACHSBAIELF-JHJVBQTASA-N 2 0 270.421 1.142 10 0 CDAERP CCCCNC(=O)[C@H](C)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000582181797 361021355 /nfs/dbraw/zinc/02/13/55/361021355.db2.gz RPUMAGYDBZSTBC-DZGCQCFKSA-N 2 0 267.417 1.367 10 0 CDAERP O=C1CN(Cc2ccc3c(c2)C[NH2+]CC3)[C@H]2CCCC[C@H]2N1 ZINC000566351127 370691283 /nfs/dbraw/zinc/69/12/83/370691283.db2.gz MAKGYHPKZBBJJM-SJORKVTESA-N 2 0 299.418 1.575 10 0 CDAERP COc1cncc(/C=C\CC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000645780022 361484881 /nfs/dbraw/zinc/48/48/81/361484881.db2.gz IEGNPQNLDSEKBX-MDQNUPHKSA-N 2 0 273.380 1.645 10 0 CDAERP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000644144998 364000634 /nfs/dbraw/zinc/00/06/34/364000634.db2.gz UMPZEHWVKIOLDI-MGPQQGTHSA-N 2 0 279.428 1.542 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417984799 364094961 /nfs/dbraw/zinc/09/49/61/364094961.db2.gz DTLUDRLWZYKGJW-XDQVBPFNSA-N 2 0 296.459 1.674 10 0 CDAERP C[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)[C@H]1CCOC1 ZINC000166354361 364338272 /nfs/dbraw/zinc/33/82/72/364338272.db2.gz DHEDXFQKDAKBNR-DOMZBBRYSA-N 2 0 260.381 1.847 10 0 CDAERP CN(C(=O)C[NH+](C)C1CCC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000629972545 364295801 /nfs/dbraw/zinc/29/58/01/364295801.db2.gz RQFUASNLUGTNOJ-CQSZACIVSA-N 2 0 265.401 1.166 10 0 CDAERP C[NH2+]C[C@H](C)C(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000373040355 364565412 /nfs/dbraw/zinc/56/54/12/364565412.db2.gz RAURJIRAFYYNOE-UONOGXRCSA-N 2 0 267.417 1.319 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C=C[C@H](CO)C2)[C@@H]2CCC[C@H]21 ZINC000353390590 365177164 /nfs/dbraw/zinc/17/71/64/365177164.db2.gz ZXRUNENVFXSDEQ-AIEDFZFUSA-N 2 0 250.386 1.386 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCOCC2CC2)[C@@H]2CCC[C@@H]21 ZINC000353405892 365187340 /nfs/dbraw/zinc/18/73/40/365187340.db2.gz SHJLFYSQNSIOGQ-KKUMJFAQSA-N 2 0 252.402 1.875 10 0 CDAERP C[C@@H]1COCCN1CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353493727 365253579 /nfs/dbraw/zinc/25/35/79/365253579.db2.gz VESGOULXLHKLGJ-FPCVCCKLSA-N 2 0 281.444 1.170 10 0 CDAERP CCn1nc2c(cc1=O)C[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC2 ZINC000643058238 365515450 /nfs/dbraw/zinc/51/54/50/365515450.db2.gz ZRZWDDRZLFIVBQ-ZDUSSCGKSA-N 2 0 290.411 1.011 10 0 CDAERP CC(C)(C)CC(=O)N1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000643056822 365507924 /nfs/dbraw/zinc/50/79/24/365507924.db2.gz UMLWDUDYNSABFC-AWEZNQCLSA-N 2 0 281.444 1.566 10 0 CDAERP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)[C@@H]1C[C@H]1C ZINC000414063229 241051965 /nfs/dbraw/zinc/05/19/65/241051965.db2.gz DKVQTYZHEKECQO-IIAWOOMASA-N 2 0 288.439 1.968 10 0 CDAERP CCCC[NH+]1CCC(N[C@@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000400407736 366955331 /nfs/dbraw/zinc/95/53/31/366955331.db2.gz SEANJBIFHXFUHR-KBPBESRZSA-N 2 0 253.434 1.839 10 0 CDAERP C[C@H](NC[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CC[NH2+]C1 ZINC000400735260 366972169 /nfs/dbraw/zinc/97/21/69/366972169.db2.gz RRBGOHSRDLYZJI-IMJJTQAJSA-N 2 0 261.413 1.877 10 0 CDAERP C[C@H]1CC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[NH2+]1 ZINC000626988165 367176516 /nfs/dbraw/zinc/17/65/16/367176516.db2.gz HLEKSAHRFVJASB-FIBILERRSA-N 2 0 294.443 1.441 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)C[NH2+]1 ZINC000627002194 367224593 /nfs/dbraw/zinc/22/45/93/367224593.db2.gz SEAWHRSGFPYJPX-XSCHDIRWSA-N 2 0 296.459 1.547 10 0 CDAERP C[C@H]1CC[C@@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)C[NH2+]1 ZINC000627019597 367243059 /nfs/dbraw/zinc/24/30/59/367243059.db2.gz JEKRJQQAMVUBDK-UONOGXRCSA-N 2 0 296.459 1.548 10 0 CDAERP C[C@H]1CC[C@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)C[NH2+]1 ZINC000627019595 367243251 /nfs/dbraw/zinc/24/32/51/367243251.db2.gz JEKRJQQAMVUBDK-KBPBESRZSA-N 2 0 296.459 1.548 10 0 CDAERP [NH3+]C1(CC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000398196809 367256539 /nfs/dbraw/zinc/25/65/39/367256539.db2.gz UMZKLEDQFWKTCG-OAHLLOKOSA-N 2 0 287.407 1.506 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC1([NH3+])CCCCCC1 ZINC000627063508 367320672 /nfs/dbraw/zinc/32/06/72/367320672.db2.gz REOJDBJXUMMTRI-NWDGAFQWSA-N 2 0 268.405 1.088 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[NH+]2CCC1CC2 ZINC000358157054 367475335 /nfs/dbraw/zinc/47/53/35/367475335.db2.gz GUDISNVTFYVOEQ-AWEZNQCLSA-N 2 0 296.459 1.596 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC(C)(C)CCC[NH+](C)C ZINC000627160491 367589460 /nfs/dbraw/zinc/58/94/60/367589460.db2.gz ZZPKUDJLHJBBMK-QWHCGFSZSA-N 2 0 284.448 1.547 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CC)CCC[NH+](CC)CC ZINC000627161908 367593064 /nfs/dbraw/zinc/59/30/64/367593064.db2.gz AFFDRDUWICNSEX-LSDHHAIUSA-N 2 0 298.475 1.890 10 0 CDAERP C[C@@H](C[NH3+])NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000416875247 242204832 /nfs/dbraw/zinc/20/48/32/242204832.db2.gz QNMHRIRFHJGPBE-ZDUSSCGKSA-N 2 0 290.411 1.429 10 0 CDAERP C[C@@H](NC(=O)NCC[N@@H+]1CCc2ccccc2C1)[C@H](C)[NH3+] ZINC000417003920 242261719 /nfs/dbraw/zinc/26/17/19/242261719.db2.gz HLZJHKCKKAOJHJ-QWHCGFSZSA-N 2 0 290.411 1.080 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)C[NH2+]1 ZINC000627199856 367689452 /nfs/dbraw/zinc/68/94/52/367689452.db2.gz DZWRHVPRRPZSCJ-RBSFLKMASA-N 2 0 296.459 1.643 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)C[NH2+]1 ZINC000627199594 367691887 /nfs/dbraw/zinc/69/18/87/367691887.db2.gz ZNVWMRZTPMCWOC-MBNYWOFBSA-N 2 0 280.416 1.005 10 0 CDAERP CNC(=O)CN1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000282195573 367768005 /nfs/dbraw/zinc/76/80/05/367768005.db2.gz WUNPJJLRMQLNGH-GFCCVEGCSA-N 2 0 276.384 1.145 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000627242904 367811583 /nfs/dbraw/zinc/81/15/83/367811583.db2.gz XLEPIAPIIKJBHA-NWANDNLSSA-N 2 0 294.443 1.110 10 0 CDAERP CC(=O)N[C@H]1CC[N@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000567101876 370880640 /nfs/dbraw/zinc/88/06/40/370880640.db2.gz LOCRGPJDELLQFM-LBPRGKRZSA-N 2 0 290.392 1.644 10 0 CDAERP C[C@@H](CCC(F)(F)F)[NH2+]CCN1CC[NH2+]CC1 ZINC000414864796 367901538 /nfs/dbraw/zinc/90/15/38/367901538.db2.gz CIKMCHKHQDWXNW-JTQLQIEISA-N 2 0 253.312 1.212 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638071834 368033929 /nfs/dbraw/zinc/03/39/29/368033929.db2.gz NFIVVOVLLXMIGG-QWHCGFSZSA-N 2 0 253.390 1.126 10 0 CDAERP [NH3+][C@@H]1CC=C(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000638076476 368088801 /nfs/dbraw/zinc/08/88/01/368088801.db2.gz YIMQRRMSIZUOIR-ZIAGYGMSSA-N 2 0 263.385 1.121 10 0 CDAERP Cc1n[nH]cc1C[NH2+]C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000328631973 368159597 /nfs/dbraw/zinc/15/95/97/368159597.db2.gz LBMNRKSXHQEWDJ-HOCLYGCPSA-N 2 0 285.395 1.896 10 0 CDAERP CC(C)C[C@@H](C[NH3+])NC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000418421962 243058274 /nfs/dbraw/zinc/05/82/74/243058274.db2.gz AGDFZXCTXSIREL-WFASDCNBSA-N 2 0 292.427 1.879 10 0 CDAERP [NH3+][C@H](CNC(=O)NCCC1=CC[NH2+]CC1)c1ccccc1 ZINC000418457816 243102237 /nfs/dbraw/zinc/10/22/37/243102237.db2.gz WAZAXJFEZPMEKF-OAHLLOKOSA-N 2 0 288.395 1.295 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)C[C@@H]1C ZINC000418541380 243194188 /nfs/dbraw/zinc/19/41/88/243194188.db2.gz DTAVZLJAOCAOPM-CBBWQLFWSA-N 2 0 296.459 1.499 10 0 CDAERP C[C@@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)[C@H](C)[NH3+] ZINC000418711530 243364854 /nfs/dbraw/zinc/36/48/54/243364854.db2.gz WJBJIXCXZUUOPA-BFHYXJOUSA-N 2 0 282.432 1.382 10 0 CDAERP COc1cccc(C[C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)n1 ZINC000414945491 370910292 /nfs/dbraw/zinc/91/02/92/370910292.db2.gz RRXMQVDFEBZVFT-SGMGOOAPSA-N 2 0 263.385 1.609 10 0 CDAERP CC(C)C(=O)N1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420315316 244071244 /nfs/dbraw/zinc/07/12/44/244071244.db2.gz LPXMTHWDUCIJIO-AWEZNQCLSA-N 2 0 267.417 1.176 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCn2ccnc2)[C@@H]2CCC[C@@H]21 ZINC000367611333 369198666 /nfs/dbraw/zinc/19/86/66/369198666.db2.gz BRKXQIFLWSKIOB-KKUMJFAQSA-N 2 0 262.401 1.736 10 0 CDAERP [NH3+]Cc1cccc(-n2cc([C@H]([NH3+])C3CCOCC3)nn2)c1 ZINC000630607329 369380679 /nfs/dbraw/zinc/38/06/79/369380679.db2.gz GVMLNYFJJFXXQG-OAHLLOKOSA-N 2 0 287.367 1.152 10 0 CDAERP CC1=CC[N@H+](CCNC(=O)N(C)CCC[NH+](C)C)CC1 ZINC000546591031 369399799 /nfs/dbraw/zinc/39/97/99/369399799.db2.gz OEFKYODDJPKSDN-UHFFFAOYSA-N 2 0 282.432 1.232 10 0 CDAERP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccc2c(c1)OCCO2 ZINC000422761374 296145127 /nfs/dbraw/zinc/14/51/27/296145127.db2.gz LZSQPKATWUJKGZ-MNOVXSKESA-N 2 0 262.353 1.716 10 0 CDAERP C[C@H]1C[C@H](C)[NH+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000547769825 369636474 /nfs/dbraw/zinc/63/64/74/369636474.db2.gz QCGQKUFCKMGFJW-RYUDHWBXSA-N 2 0 265.401 1.212 10 0 CDAERP CCC[C@@H](C(=O)NCC[NH+]1CCC(C)CC1)[NH+](C)C ZINC000135998128 369771358 /nfs/dbraw/zinc/77/13/58/369771358.db2.gz FPASEQRFYNICGP-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP C[N@@H+]1CCN(CC[NH2+]C[C@@H](O)CC2CCCC2)CC1(C)C ZINC000564861404 370280413 /nfs/dbraw/zinc/28/04/13/370280413.db2.gz AHOCMTIZVOGLOD-INIZCTEOSA-N 2 0 297.487 1.543 10 0 CDAERP COCC[NH2+]C1CCN([C@H](C)c2ccccn2)CC1 ZINC000565095713 370350566 /nfs/dbraw/zinc/35/05/66/370350566.db2.gz NHJZSJORSAMYGW-CYBMUJFWSA-N 2 0 263.385 1.843 10 0 CDAERP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCOCCOc1ccccc1 ZINC000565155770 370362436 /nfs/dbraw/zinc/36/24/36/370362436.db2.gz FXTAMLILOVJNBL-CABCVRRESA-N 2 0 278.396 1.894 10 0 CDAERP C[C@H](C[NH2+][C@H](C1CC1)[C@@H]1CNCCO1)C[NH+]1CCCC1 ZINC000422724270 245179645 /nfs/dbraw/zinc/17/96/45/245179645.db2.gz VDNFBHUSBMVNDT-VNQPRFMTSA-N 2 0 281.444 1.075 10 0 CDAERP COCCC[N@H+](C)CCN[C@@H]1CC[NH+](C)[C@H]2CCC[C@@H]21 ZINC000375897851 371020730 /nfs/dbraw/zinc/02/07/30/371020730.db2.gz MAYIETFWGOMVOJ-OAGGEKHMSA-N 2 0 283.460 1.417 10 0 CDAERP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000422745473 245208129 /nfs/dbraw/zinc/20/81/29/245208129.db2.gz VFSQMTSMUPUPTM-ARFHVFGLSA-N 2 0 262.397 1.840 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N[C@H](C)CC[NH+](C)C ZINC000652141392 412791002 /nfs/dbraw/zinc/79/10/02/412791002.db2.gz OEYYTKCULVKKPZ-CYBMUJFWSA-N 2 0 292.427 1.545 10 0 CDAERP CCC[N@@H+]1CC[C@@H](NC(=O)N(CC)[C@@H]2CC[NH+](C)C2)C1 ZINC000666920132 482987877 /nfs/dbraw/zinc/98/78/77/482987877.db2.gz NWHZEAVDFUACHQ-ZIAGYGMSSA-N 2 0 282.432 1.206 10 0 CDAERP CC[NH+]1CCC(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000575235513 371789577 /nfs/dbraw/zinc/78/95/77/371789577.db2.gz OSKRPVDCLMFHHD-GXTWGEPZSA-N 2 0 282.432 1.016 10 0 CDAERP CCC[C@@](C)([NH3+])C(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000378208296 371869120 /nfs/dbraw/zinc/86/91/20/371869120.db2.gz VDUJFKKFLWBAFT-CQSZACIVSA-N 2 0 264.373 1.633 10 0 CDAERP CCC([NH3+])(CC)CNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000638634847 371988796 /nfs/dbraw/zinc/98/87/96/371988796.db2.gz JFFVODCEPZTSGI-TXEJJXNPSA-N 2 0 268.405 1.040 10 0 CDAERP CO[C@H](CN1CCC(CO)([NH2+]C(C)C)CC1)C1CC1 ZINC000578335444 372407376 /nfs/dbraw/zinc/40/73/76/372407376.db2.gz HPRVDLJFJLOWMC-CQSZACIVSA-N 2 0 270.417 1.236 10 0 CDAERP COCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001661661075 1172423962 /nfs/dbraw/zinc/42/39/62/1172423962.db2.gz BZZGWCKINKFDNE-QLFBSQMISA-N 2 0 297.443 1.133 10 0 CDAERP COC(=O)[C@H]1CCC[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414695446 284331762 /nfs/dbraw/zinc/33/17/62/284331762.db2.gz URUBXGBCPLBGDE-AVGNSLFASA-N 2 0 254.374 1.260 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1CC ZINC000176990600 372809867 /nfs/dbraw/zinc/80/98/67/372809867.db2.gz YHSBTYWREVYZLH-GJZGRUSLSA-N 2 0 281.444 1.804 10 0 CDAERP CC(C)C[C@H]([NH3+])C[NH2+]CCCOC[C@H]1CCCO1 ZINC000415086376 372818091 /nfs/dbraw/zinc/81/80/91/372818091.db2.gz JOOOETGHRKOBJU-UONOGXRCSA-N 2 0 258.406 1.535 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000333294805 205192145 /nfs/dbraw/zinc/19/21/45/205192145.db2.gz IEXMFUGZJALPAX-MJBXVCDLSA-N 2 0 282.432 1.095 10 0 CDAERP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000383712679 373144810 /nfs/dbraw/zinc/14/48/10/373144810.db2.gz DVGVWFUTUQYRKM-JJXSEGSLSA-N 2 0 284.444 1.315 10 0 CDAERP C[C@@H]([NH3+])c1ccc(C(=O)N[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000645684590 373231167 /nfs/dbraw/zinc/23/11/67/373231167.db2.gz AMZKCDRFFMUPBO-BXUZGUMPSA-N 2 0 261.369 1.530 10 0 CDAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC(C)(C)C(C)(C)C)CC1 ZINC000581880011 373295530 /nfs/dbraw/zinc/29/55/30/373295530.db2.gz LCEFAAQBKJZONV-AWEZNQCLSA-N 2 0 285.476 1.257 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2CC[NH2+]CC2)[C@H]2CCC[C@H]21 ZINC000581997011 373475470 /nfs/dbraw/zinc/47/54/70/373475470.db2.gz CLNOMQKYDJMTDE-QLFBSQMISA-N 3 0 251.418 1.448 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]2CN(Cc3nc(C4CCC4)no3)C[C@@H]21 ZINC000631824012 373708549 /nfs/dbraw/zinc/70/85/49/373708549.db2.gz SVKSHOJNYNNCLN-RWMBFGLXSA-N 2 0 276.384 1.896 10 0 CDAERP CN1CC[C@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000424166027 246366048 /nfs/dbraw/zinc/36/60/48/246366048.db2.gz FTVGOJKMCLOFMF-IGJVIKARSA-N 2 0 295.333 1.173 10 0 CDAERP Cc1ccc(C[NH2+]C[C@@H]2CCc3nccn3C2)nc1 ZINC000328627009 374723141 /nfs/dbraw/zinc/72/31/41/374723141.db2.gz FQKOVRNSEACOMW-ZDUSSCGKSA-N 2 0 256.353 1.939 10 0 CDAERP CC[C@H](COC)[NH2+][C@H]1CCO[C@@H](c2cncn2C)C1 ZINC000328626645 374724070 /nfs/dbraw/zinc/72/40/70/374724070.db2.gz FHVFGDIMWVWCTF-MBNYWOFBSA-N 2 0 267.373 1.655 10 0 CDAERP Cc1ccc(C[NH2+]C[C@H]2CCc3nccn3C2)nc1 ZINC000328627008 374724373 /nfs/dbraw/zinc/72/43/73/374724373.db2.gz FQKOVRNSEACOMW-CYBMUJFWSA-N 2 0 256.353 1.939 10 0 CDAERP COCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001661946634 1172470911 /nfs/dbraw/zinc/47/09/11/1172470911.db2.gz KFNDSVAQBZPLLP-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@@H](CC[NH+](C)C)NC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415993679 375516942 /nfs/dbraw/zinc/51/69/42/375516942.db2.gz FWOGXOQXWYINNN-NSHDSACASA-N 2 0 276.384 1.752 10 0 CDAERP C[NH2+]Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000415970781 375524827 /nfs/dbraw/zinc/52/48/27/375524827.db2.gz IOUMUGZLLJXPNP-AWEZNQCLSA-N 2 0 276.384 1.622 10 0 CDAERP CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000416942715 375703360 /nfs/dbraw/zinc/70/33/60/375703360.db2.gz SETBAMJWEPUQLL-DZGCQCFKSA-N 2 0 296.459 1.404 10 0 CDAERP CCc1cc(N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)cc[nH+]1 ZINC000418993562 376076015 /nfs/dbraw/zinc/07/60/15/376076015.db2.gz HBJOAYACOBKVDA-STQMWFEESA-N 2 0 263.385 1.535 10 0 CDAERP CC[N@H+](C)[C@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000245859570 376257677 /nfs/dbraw/zinc/25/76/77/376257677.db2.gz QBUKEYRVUXTRIH-CVEARBPZSA-N 2 0 289.423 1.842 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]CC[C@H](O)C(F)F)[C@H](C)C1 ZINC000631698611 376474374 /nfs/dbraw/zinc/47/43/74/376474374.db2.gz WTJUQSUCSTUTEE-VWYCJHECSA-N 2 0 250.333 1.322 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]CC[C@@H](O)C(F)F)[C@@H](C)C1 ZINC000631698608 376474378 /nfs/dbraw/zinc/47/43/78/376474378.db2.gz WTJUQSUCSTUTEE-GARJFASQSA-N 2 0 250.333 1.322 10 0 CDAERP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631840994 376693820 /nfs/dbraw/zinc/69/38/20/376693820.db2.gz HBSQUCZGBLGERX-MROQNXINSA-N 2 0 255.406 1.206 10 0 CDAERP C[C@@H](C(=O)N1CCCCCC1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631841511 376697209 /nfs/dbraw/zinc/69/72/09/376697209.db2.gz LLBPPLOPFLAUAU-HZSPNIEDSA-N 2 0 267.417 1.304 10 0 CDAERP COC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCN1C ZINC000246974227 377026467 /nfs/dbraw/zinc/02/64/67/377026467.db2.gz JHICIWUEOMFQRU-CVEARBPZSA-N 2 0 262.397 1.928 10 0 CDAERP C[N@H+](C[C@H](O)COC(C)(C)C)C[C@H]1CCC[NH+](C)C1 ZINC000247135980 377060046 /nfs/dbraw/zinc/06/00/46/377060046.db2.gz WUOMWULMPCSSQS-KBPBESRZSA-N 2 0 272.433 1.436 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417443778 377147164 /nfs/dbraw/zinc/14/71/64/377147164.db2.gz AYOAKFDOYONSES-KFWWJZLASA-N 2 0 296.459 1.358 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(CC)CCC[NH2+]2)C1 ZINC000128962811 377344320 /nfs/dbraw/zinc/34/43/20/377344320.db2.gz SCVSYSQDEQNPCT-TZMCWYRMSA-N 2 0 253.390 1.119 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)[NH2+]C/C=C/Cl)[NH+](C)C ZINC001662255089 1172518287 /nfs/dbraw/zinc/51/82/87/1172518287.db2.gz DXQUUAPBUNAPDS-AFPRHGJPSA-N 2 0 261.797 1.173 10 0 CDAERP C[C@@H]([NH3+])C1CCN(C(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000334937829 377710671 /nfs/dbraw/zinc/71/06/71/377710671.db2.gz XTCULSSWEZXFCR-CYBMUJFWSA-N 2 0 296.459 1.807 10 0 CDAERP CN(C(=O)N[C@@H](C[NH3+])C1CCCC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000572263049 377811051 /nfs/dbraw/zinc/81/10/51/377811051.db2.gz AFKFFCMUSMRMQI-CABCVRRESA-N 2 0 294.443 1.382 10 0 CDAERP C[NH+]1CCC(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000173390491 378307409 /nfs/dbraw/zinc/30/74/09/378307409.db2.gz NXWZJVNWIKPWAE-GOOCMWNKSA-N 2 0 294.443 1.395 10 0 CDAERP CC[C@H]1CN(C(=O)NCC2([NH3+])CCCCCC2)CC[C@@H]1[NH3+] ZINC000634047462 378986983 /nfs/dbraw/zinc/98/69/83/378986983.db2.gz KWHQVJMJFAMMIW-KBPBESRZSA-N 2 0 296.459 1.807 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000634121745 379060327 /nfs/dbraw/zinc/06/03/27/379060327.db2.gz FHBCDIBGTTYFQX-CQSZACIVSA-N 2 0 283.460 1.905 10 0 CDAERP CCOCC[C@H](O)C[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000444590335 250150624 /nfs/dbraw/zinc/15/06/24/250150624.db2.gz BKTMXIVQZAMNDR-INIZCTEOSA-N 2 0 286.460 1.828 10 0 CDAERP Cc1nc(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)[nH]c1C ZINC000657573725 412907268 /nfs/dbraw/zinc/90/72/68/412907268.db2.gz RGIUUKFEWNEDEO-LBPRGKRZSA-N 2 0 281.448 1.388 10 0 CDAERP Cc1nc(F)ccc1C[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000278815816 194167772 /nfs/dbraw/zinc/16/77/72/194167772.db2.gz SUBYYFUIDSPZFB-ZDUSSCGKSA-N 2 0 294.418 1.645 10 0 CDAERP C[NH2+]C[C@H]1CCCN(C(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662392314 412953263 /nfs/dbraw/zinc/95/32/63/412953263.db2.gz RHDFQGUXTGRNTA-GFCCVEGCSA-N 2 0 265.401 1.119 10 0 CDAERP CN(c1nc2c(cc1C[NH3+])CCCC2)C1CC[NH+](C)CC1 ZINC000043409510 184558980 /nfs/dbraw/zinc/55/89/80/184558980.db2.gz LWUUBMWHIDPJPW-UHFFFAOYSA-N 2 0 288.439 1.950 10 0 CDAERP COCCN1CC[C@@H]([NH2+]CCCC[N@H+](C)C2CC2)C1 ZINC000453405894 252313560 /nfs/dbraw/zinc/31/35/60/252313560.db2.gz QRKINNJNROUDPM-CQSZACIVSA-N 2 0 269.433 1.171 10 0 CDAERP COCC[N@@H+]1CCC[C@@H]1CN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422703257 285029184 /nfs/dbraw/zinc/02/91/84/285029184.db2.gz HHTDNKQPFHDCDE-QLFBSQMISA-N 2 0 269.433 1.347 10 0 CDAERP CCCC[NH2+][C@H](C)CCNC(=O)C[NH+]1CCCC1 ZINC001663009181 1172627000 /nfs/dbraw/zinc/62/70/00/1172627000.db2.gz RDJWGORDGCPXIE-CYBMUJFWSA-N 2 0 255.406 1.367 10 0 CDAERP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000648140854 390174257 /nfs/dbraw/zinc/17/42/57/390174257.db2.gz NIAYUYUQOBCUAU-ZDUSSCGKSA-N 2 0 274.368 1.020 10 0 CDAERP C[C@H](C(=O)N1CC[C@H]2C[NH+](C)C[C@@H]21)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000646919589 390290962 /nfs/dbraw/zinc/29/09/62/390290962.db2.gz JCXBXSAORMITLT-SEBNEYGDSA-N 2 0 279.428 1.410 10 0 CDAERP CC[C@@H]1CN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CC[C@@H]1[NH3+] ZINC000647008775 390353600 /nfs/dbraw/zinc/35/36/00/390353600.db2.gz UTQZHPAGMUSZCH-ILXRZTDVSA-N 2 0 281.444 1.837 10 0 CDAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](N[C@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000358263840 390510628 /nfs/dbraw/zinc/51/06/28/390510628.db2.gz HOUMOIQGVSYEBN-UGUYLWEFSA-N 2 0 265.445 1.932 10 0 CDAERP C[C@H]1C[C@H](N(C)C(=O)c2conc2C(C)(C)[NH3+])CC[N@@H+]1C ZINC000568232248 390469414 /nfs/dbraw/zinc/46/94/14/390469414.db2.gz JCZFFEXFHRRXOW-WDEREUQCSA-N 2 0 294.399 1.423 10 0 CDAERP C[C@H]1C[N@H+](C)C[C@H]1NC[C@@H]1C[NH+](C)C[C@H]1c1ccccc1 ZINC000647248809 390657779 /nfs/dbraw/zinc/65/77/79/390657779.db2.gz HKCSATSHRWBVDP-XOYOTBSWSA-N 2 0 287.451 1.872 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(C[NH3+])cc1 ZINC000237510566 390845276 /nfs/dbraw/zinc/84/52/76/390845276.db2.gz MQCIBFMKJASJFS-ZDUSSCGKSA-N 2 0 275.396 1.750 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH2+][C@@H](C)C2)[C@H](C)C1 ZINC000262407513 285394689 /nfs/dbraw/zinc/39/46/89/285394689.db2.gz RVWNZRZXLUHLOT-QPSCCSFWSA-N 2 0 281.444 1.563 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]CCCc2ncn(C)n2)[C@@H](C)C1 ZINC000647325387 390939263 /nfs/dbraw/zinc/93/92/63/390939263.db2.gz DVBBDESJZNWEKT-STQMWFEESA-N 2 0 265.405 1.068 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)[C@@]2(O)CCOC2)[C@H](C)C1 ZINC000647340299 390943335 /nfs/dbraw/zinc/94/33/35/390943335.db2.gz HIMTWQQUSNIRQV-IJEWVQPXSA-N 2 0 284.444 1.484 10 0 CDAERP C[C@H](CC(=O)N[C@H]1CC[NH2+]C12CCCC2)[C@H]1CCC[NH2+]C1 ZINC000648205938 390951679 /nfs/dbraw/zinc/95/16/79/390951679.db2.gz PIJNCMAYBTVHOS-ILXRZTDVSA-N 2 0 293.455 1.803 10 0 CDAERP O=C(CC[C@H]1CC[NH2+]C1)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648210418 390953061 /nfs/dbraw/zinc/95/30/61/390953061.db2.gz RGYWPJHTURXBAJ-STQMWFEESA-N 2 0 265.401 1.167 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000261573930 390914908 /nfs/dbraw/zinc/91/49/08/390914908.db2.gz WHPPIMACBGKVDE-STQMWFEESA-N 2 0 265.401 1.071 10 0 CDAERP NC(=O)[C@@H](C[NH2+]C1CCC([NH3+])CC1)Cc1ccc(F)cc1 ZINC000415122134 391031462 /nfs/dbraw/zinc/03/14/62/391031462.db2.gz ZWFHMUGNYWJKTG-LRVUVFPRSA-N 2 0 293.386 1.329 10 0 CDAERP C[C@@H](Cc1ccccc1)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647492591 390969507 /nfs/dbraw/zinc/96/95/07/390969507.db2.gz LTOVEARTCDYNCV-INIZCTEOSA-N 2 0 275.440 1.702 10 0 CDAERP C[N@@H+]1CCN(C[C@]2(C)CC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000062910792 391104511 /nfs/dbraw/zinc/10/45/11/391104511.db2.gz NEPIJANKIDIFPY-IAGOWNOFSA-N 2 0 273.424 1.975 10 0 CDAERP C1CC1[C@@H]1CC[C@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423514538 391053670 /nfs/dbraw/zinc/05/36/70/391053670.db2.gz TWHGLVDKTXCZLI-SJJHQCBESA-N 2 0 277.456 1.981 10 0 CDAERP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cocn2)C[C@@H](C)O1 ZINC000192298768 391066043 /nfs/dbraw/zinc/06/60/43/391066043.db2.gz AFMINGUKJNNACW-CHWSQXEVSA-N 2 0 267.373 1.654 10 0 CDAERP Cc1cc(C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)ccn1 ZINC000527654236 391087142 /nfs/dbraw/zinc/08/71/42/391087142.db2.gz SCYJKHBCRNDIKY-CQSZACIVSA-N 2 0 276.428 1.363 10 0 CDAERP CC[C@H](C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000228189395 391219033 /nfs/dbraw/zinc/21/90/33/391219033.db2.gz FOTNEYRVDPMQCH-IHRRRGAJSA-N 2 0 267.417 1.365 10 0 CDAERP C[NH+](C)CCN(Cc1ccccc1F)C(=O)NCCC[NH3+] ZINC000418312180 391298885 /nfs/dbraw/zinc/29/88/85/391298885.db2.gz NLLDWPBIUMFBMY-UHFFFAOYSA-N 2 0 296.390 1.248 10 0 CDAERP CC[NH+]1CCN(CC(C)(C)[NH2+]CC[C@@H]2CCCCO2)CC1 ZINC000451981241 391327288 /nfs/dbraw/zinc/32/72/88/391327288.db2.gz ILRMEGBOWOJHNA-INIZCTEOSA-N 2 0 297.487 1.951 10 0 CDAERP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN2CCOC)CCO1 ZINC000648443764 391345694 /nfs/dbraw/zinc/34/56/94/391345694.db2.gz KWKMJNXKSDMQJT-QLFBSQMISA-N 2 0 270.417 1.644 10 0 CDAERP CC(C)C[C@@H]([NH3+])CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000222900915 391372196 /nfs/dbraw/zinc/37/21/96/391372196.db2.gz DNFLGWONJOZRAC-HUUCEWRRSA-N 2 0 253.434 1.920 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000346965499 391379544 /nfs/dbraw/zinc/37/95/44/391379544.db2.gz IPQUUYFAIFLCRB-MRXNPFEDSA-N 2 0 293.455 1.802 10 0 CDAERP CC[C@@H]1C[C@@H](C[NH2+]C[C@@](C)(O)C[NH+](C)C)CCO1 ZINC000355666503 391463878 /nfs/dbraw/zinc/46/38/78/391463878.db2.gz CQUJSJXMUDTSIL-BFHYXJOUSA-N 2 0 258.406 1.094 10 0 CDAERP C[C@@H]1CCCCN1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647788135 391468831 /nfs/dbraw/zinc/46/88/31/391468831.db2.gz CTDPIPDQMJOHSY-KLHDSHLOSA-N 3 0 265.445 1.839 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(OC)nc2)[C@H](C)C1 ZINC000527989509 391558335 /nfs/dbraw/zinc/55/83/35/391558335.db2.gz YUUKIUFCCCRWSY-HIFRSBDPSA-N 2 0 277.412 1.953 10 0 CDAERP CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cnc(N(C)C)n1C ZINC000425368533 391494866 /nfs/dbraw/zinc/49/48/66/391494866.db2.gz KHAAERXWVBLQGQ-WCQYABFASA-N 2 0 266.389 1.079 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000348067615 391590044 /nfs/dbraw/zinc/59/00/44/391590044.db2.gz DIGOYNKSNKFKHY-KFWWJZLASA-N 2 0 279.428 1.461 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000417609069 391696909 /nfs/dbraw/zinc/69/69/09/391696909.db2.gz JXMQPZWESAIRCA-STQMWFEESA-N 2 0 270.421 1.016 10 0 CDAERP CN1CC[C@H]([NH2+]C[C@@H]2CC[NH2+]C2)[C@H]1c1ccc(F)c(F)c1 ZINC000647992512 391699758 /nfs/dbraw/zinc/69/97/58/391699758.db2.gz INLYIGNKWQONBP-XFBWCDHKSA-N 2 0 295.377 1.909 10 0 CDAERP C(CC1CC[NH2+]CC1)CN1CCC2(CC[NH2+]2)CC1 ZINC000647992658 391701009 /nfs/dbraw/zinc/70/10/09/391701009.db2.gz XNLRVXYHSZOGLX-UHFFFAOYSA-N 2 0 251.418 1.594 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CNCCC[NH2+]C1CC1 ZINC000415068301 391743340 /nfs/dbraw/zinc/74/33/40/391743340.db2.gz MLDUIGXEAXJSHS-UHFFFAOYSA-N 2 0 285.395 1.807 10 0 CDAERP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])cc1 ZINC000415017349 391725043 /nfs/dbraw/zinc/72/50/43/391725043.db2.gz PTYCEJQXOCKGSA-SRVKXCTJSA-N 2 0 279.384 1.738 10 0 CDAERP COc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])c1 ZINC000415022681 391727428 /nfs/dbraw/zinc/72/74/28/391727428.db2.gz VXMRNWBIXLIQLK-TUAOUCFPSA-N 2 0 279.384 1.738 10 0 CDAERP C[C@@H](C(=O)NCCC[NH+]1CCC(C)CC1)C1C[NH2+]C1 ZINC000164407583 130056470 /nfs/dbraw/zinc/05/64/70/130056470.db2.gz JEEIHHURZHMOQS-CYBMUJFWSA-N 2 0 267.417 1.080 10 0 CDAERP C[C@@H](CCCC[NH3+])NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000418125695 391752512 /nfs/dbraw/zinc/75/25/12/391752512.db2.gz JWWSNRSMXLWVRK-NFOMZHRRSA-N 2 0 296.459 1.820 10 0 CDAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000649298970 391934320 /nfs/dbraw/zinc/93/43/20/391934320.db2.gz OQBGVLPPJDXDIP-MELADBBJSA-N 2 0 267.417 1.162 10 0 CDAERP C[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000248659976 391929237 /nfs/dbraw/zinc/92/92/37/391929237.db2.gz VSAMAAAAKWLIQO-CABCVRRESA-N 2 0 254.418 1.955 10 0 CDAERP CC(C)[C@@H](C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)[NH+](C)C ZINC000334992569 391993425 /nfs/dbraw/zinc/99/34/25/391993425.db2.gz FYIOTUNCKOJERT-ZFWWWQNUSA-N 2 0 267.417 1.175 10 0 CDAERP CC[C@H]1C[C@H](C)C[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000342310682 391997777 /nfs/dbraw/zinc/99/77/77/391997777.db2.gz GOJLAHCWBUFMBA-ZFWWWQNUSA-N 2 0 293.455 1.850 10 0 CDAERP CC1(C)C[NH2+][C@H]1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000649319220 392010609 /nfs/dbraw/zinc/01/06/09/392010609.db2.gz PIOWWIFZYSYERH-LBPRGKRZSA-N 2 0 271.324 1.204 10 0 CDAERP [NH3+][C@H](CC(F)F)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000649319107 392012530 /nfs/dbraw/zinc/01/25/30/392012530.db2.gz HMFVWFGRUGJAPZ-SNVBAGLBSA-N 2 0 281.266 1.188 10 0 CDAERP CC[C@H](C)[N@H+](C)CCN[C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261908851 392026170 /nfs/dbraw/zinc/02/61/70/392026170.db2.gz IQRZPWQIDPHMSX-CAOSSQGBSA-N 2 0 283.460 1.463 10 0 CDAERP CC(C)(C)[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C[C@H]1O ZINC000262020419 392029144 /nfs/dbraw/zinc/02/91/44/392029144.db2.gz WEGGRCOQFKLMGU-UONOGXRCSA-N 2 0 254.418 1.715 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H]1[NH2+]CC1(C)C ZINC000646190353 392148360 /nfs/dbraw/zinc/14/83/60/392148360.db2.gz SOHKFPOKRYIZEF-NWDGAFQWSA-N 2 0 255.406 1.077 10 0 CDAERP CC(C)[C@H](O)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000336828551 392112971 /nfs/dbraw/zinc/11/29/71/392112971.db2.gz AJPJFJKZKMWXSM-HZPDHXFCSA-N 2 0 283.460 1.105 10 0 CDAERP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)[C@H]1CC1(C)C ZINC000397714730 392187062 /nfs/dbraw/zinc/18/70/62/392187062.db2.gz VTMNFOQICJUPFG-MELADBBJSA-N 2 0 254.418 1.857 10 0 CDAERP CO[C@@H](CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)C(F)(F)F ZINC000423065032 392310562 /nfs/dbraw/zinc/31/05/62/392310562.db2.gz ATNXTYBOCBSUTB-UTLUCORTSA-N 2 0 254.296 1.684 10 0 CDAERP CCCC[N@H+](C)CCN[C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422713583 392253096 /nfs/dbraw/zinc/25/30/96/392253096.db2.gz PTAXIOAAYNAYDX-LSDHHAIUSA-N 2 0 269.433 1.075 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)COc1cccc(F)c1 ZINC000422737918 392255335 /nfs/dbraw/zinc/25/53/35/392255335.db2.gz HXEVBZRDEMETJN-TZMCWYRMSA-N 2 0 284.375 1.937 10 0 CDAERP C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)[C@H]1CC[NH2+]C1 ZINC000423021370 392279732 /nfs/dbraw/zinc/27/97/32/392279732.db2.gz BVLZAOJKXURKQJ-BTFPBAQTSA-N 2 0 264.413 1.922 10 0 CDAERP CC1=CC[N@H+](CCN[C@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000423040483 392293429 /nfs/dbraw/zinc/29/34/29/392293429.db2.gz UHJOIRKRPDWFMA-CABCVRRESA-N 2 0 251.418 1.759 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCc1nn(C)c2ccccc12 ZINC000423049306 392299341 /nfs/dbraw/zinc/29/93/41/392299341.db2.gz JLBQSBLYLCLVEV-ZDUSSCGKSA-N 2 0 290.411 1.459 10 0 CDAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000457973619 392308261 /nfs/dbraw/zinc/30/82/61/392308261.db2.gz IRSVAHKBBOGNOY-STQMWFEESA-N 2 0 286.379 1.823 10 0 CDAERP CC[N@H+](CC(=O)N(C)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC000442835791 392328809 /nfs/dbraw/zinc/32/88/09/392328809.db2.gz FHRSQNOSMLNVPJ-AWEZNQCLSA-N 2 0 265.401 1.023 10 0 CDAERP C[C@H]([NH2+][C@@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C)C1C[NH2+]C1 ZINC000423099645 392342936 /nfs/dbraw/zinc/34/29/36/392342936.db2.gz MCRKKDQVVOLTSU-WOSRLPQWSA-N 2 0 287.407 1.374 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000568148468 392371409 /nfs/dbraw/zinc/37/14/09/392371409.db2.gz XSKWSVVOQQDWIZ-INIZCTEOSA-N 2 0 289.423 1.825 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000645889372 392472565 /nfs/dbraw/zinc/47/25/65/392472565.db2.gz GNWHYOVRDXRKFG-VHSXEESVSA-N 2 0 259.313 1.189 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)[C@H]2CCC[C@@H]21 ZINC000423253853 392472573 /nfs/dbraw/zinc/47/25/73/392472573.db2.gz WONRIVYZGQMASD-XGUBFFRZSA-N 3 0 251.418 1.448 10 0 CDAERP Cn1cncc1CCC[N@@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000574098540 392515717 /nfs/dbraw/zinc/51/57/17/392515717.db2.gz PYJIQAYYXGRZFX-FVQBIDKESA-N 2 0 293.411 1.215 10 0 CDAERP O=C([C@H]1CCCCC[NH2+]1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000574260875 392553763 /nfs/dbraw/zinc/55/37/63/392553763.db2.gz CIXFULVYCCQDAJ-UKRRQHHQSA-N 2 0 265.401 1.121 10 0 CDAERP C[C@@H](Cc1ccoc1)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000449071089 392627902 /nfs/dbraw/zinc/62/79/02/392627902.db2.gz AAFMNHACSPEYLW-AWEZNQCLSA-N 2 0 279.428 1.826 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCO)[C@@H](C)C1 ZINC000450777078 392951929 /nfs/dbraw/zinc/95/19/29/392951929.db2.gz IPKGGVHNMXHDMR-HOTGVXAUSA-N 2 0 283.460 1.248 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCCC[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000521872992 393083883 /nfs/dbraw/zinc/08/38/83/393083883.db2.gz UTUKUAREFVERFM-AVGNSLFASA-N 2 0 253.390 1.023 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)[C@H]1C ZINC000495077510 393172822 /nfs/dbraw/zinc/17/28/22/393172822.db2.gz DWNUDPNFTJHMRI-IPYPFGDCSA-N 2 0 253.434 1.647 10 0 CDAERP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000548748119 393363849 /nfs/dbraw/zinc/36/38/49/393363849.db2.gz VRIRLZDRTLPZRT-CBBWQLFWSA-N 2 0 281.444 1.515 10 0 CDAERP C[C@@]([NH3+])(CO)CCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000070512421 134951651 /nfs/dbraw/zinc/95/16/51/134951651.db2.gz ZHALLOPGIGRHQK-INIZCTEOSA-N 2 0 295.402 1.438 10 0 CDAERP CCSCC[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000275699495 135111399 /nfs/dbraw/zinc/11/13/99/135111399.db2.gz JMKYGYSZOQMQEF-UHFFFAOYSA-N 2 0 294.468 1.676 10 0 CDAERP C[C@H](CC(=O)N(C[C@H]1CCC[NH2+]1)C1CC1)C1CC[NH2+]CC1 ZINC000186527720 140062874 /nfs/dbraw/zinc/06/28/74/140062874.db2.gz PRIGHSGHJZNKHM-UKRRQHHQSA-N 2 0 293.455 1.755 10 0 CDAERP C[NH2+]CC1CC[NH+](Cc2cc(OC)cc(C)n2)CC1 ZINC000214112635 140160951 /nfs/dbraw/zinc/16/09/51/140160951.db2.gz YHLYMCAMZTXSAZ-UHFFFAOYSA-N 2 0 263.385 1.830 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000245392057 140264474 /nfs/dbraw/zinc/26/44/74/140264474.db2.gz AESMMFAHZHEPQJ-HUUCEWRRSA-N 2 0 294.443 1.350 10 0 CDAERP CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000246986244 140285529 /nfs/dbraw/zinc/28/55/29/140285529.db2.gz JYKXURQSPGIWJP-YDHLFZDLSA-N 2 0 292.427 1.959 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)C1CCCC1 ZINC000250023530 140300996 /nfs/dbraw/zinc/30/09/96/140300996.db2.gz ZDJHCZHAZHUUGM-KBMXLJTQSA-N 2 0 293.455 1.898 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(C[NH3+])o1 ZINC000251874638 140313694 /nfs/dbraw/zinc/31/36/94/140313694.db2.gz UHIBGTDAZJHJBO-MNOVXSKESA-N 2 0 263.341 1.047 10 0 CDAERP CC(C)(C)NC(=O)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000252723798 140323197 /nfs/dbraw/zinc/32/31/97/140323197.db2.gz VNBMYBAGEHDJRS-BFHYXJOUSA-N 2 0 281.444 1.802 10 0 CDAERP C[C@@H]1[C@@H](N[C@H]2CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000261554263 140347046 /nfs/dbraw/zinc/34/70/46/140347046.db2.gz UCWDGXKSJVPHPL-KBMXLJTQSA-N 2 0 259.397 1.601 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000261666188 140372062 /nfs/dbraw/zinc/37/20/62/140372062.db2.gz FONMRNNZBMCJFY-OWCLPIDISA-N 2 0 293.455 1.838 10 0 CDAERP O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262029256 140416232 /nfs/dbraw/zinc/41/62/32/140416232.db2.gz DUUABLPRZIQFIR-LLWQXYEOSA-N 2 0 277.412 1.165 10 0 CDAERP O=C(C[C@H]1CC[NH2+]C1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000662524438 413093638 /nfs/dbraw/zinc/09/36/38/413093638.db2.gz WVVGRWMEFSUNCZ-QLFBSQMISA-N 2 0 279.428 1.224 10 0 CDAERP CC[C@@H]([NH2+]C)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000662533441 413104571 /nfs/dbraw/zinc/10/45/71/413104571.db2.gz PGMMNKYYRSKPEP-WXRRBKDZSA-N 2 0 253.390 1.118 10 0 CDAERP [NH3+]CC1(CCNC(=O)C[C@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662582109 413150054 /nfs/dbraw/zinc/15/00/54/413150054.db2.gz LYXVPRYRSYPHKA-CQSZACIVSA-N 2 0 273.380 1.466 10 0 CDAERP COC[C@@](C)(CCO)[NH2+]C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420313319 397698216 /nfs/dbraw/zinc/69/82/16/397698216.db2.gz XYLFBZJEIBGZHC-GDBMZVCRSA-N 2 0 296.411 1.115 10 0 CDAERP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCC(=O)NC2(C)C)C1 ZINC000459725233 397712972 /nfs/dbraw/zinc/71/29/72/397712972.db2.gz BFFGMMUNAXFUSF-OLZOCXBDSA-N 2 0 267.417 1.365 10 0 CDAERP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667777083 483420732 /nfs/dbraw/zinc/42/07/32/483420732.db2.gz NJEVSTZNDBGHDN-GJZGRUSLSA-N 2 0 281.444 1.170 10 0 CDAERP COC1CCC([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)CC1 ZINC000658108820 413210623 /nfs/dbraw/zinc/21/06/23/413210623.db2.gz SXSCKZHKUVVQGW-FHERZECASA-N 2 0 285.476 1.806 10 0 CDAERP [NH3+][C@H](CC(=O)N1CCC[N@@H+](C2CC2)CC1)c1ccccc1 ZINC000178818126 148091647 /nfs/dbraw/zinc/09/16/47/148091647.db2.gz LCFFKSZSONVCDZ-MRXNPFEDSA-N 2 0 287.407 1.773 10 0 CDAERP COC(=O)[C@@]1(C)CC[N@H+](CCC[NH+]2CCCC2)C1 ZINC000179218457 148099198 /nfs/dbraw/zinc/09/91/98/148099198.db2.gz AMBPUEILHLJDIS-AWEZNQCLSA-N 2 0 254.374 1.357 10 0 CDAERP Cc1nn(C)cc1C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000179514969 148117168 /nfs/dbraw/zinc/11/71/68/148117168.db2.gz WMCLPLHQTJQLPI-CYBMUJFWSA-N 2 0 294.443 1.253 10 0 CDAERP C[C@@]1(C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)CC[NH2+]C1 ZINC000262100138 149017656 /nfs/dbraw/zinc/01/76/56/149017656.db2.gz VMUIPBLFPNXDMK-GDBMZVCRSA-N 2 0 279.428 1.224 10 0 CDAERP C[N@H+](CCNC(=O)C1(C[NH3+])CCOCC1)C1CCCCC1 ZINC000262293131 149048197 /nfs/dbraw/zinc/04/81/97/149048197.db2.gz OVSDWYFLRXQAJH-UHFFFAOYSA-N 2 0 297.443 1.123 10 0 CDAERP O=C(NCC[C@@H]1CC[NH2+]C1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262411070 149060153 /nfs/dbraw/zinc/06/01/53/149060153.db2.gz DINHFHSJGMKMDL-FQUUOJAGSA-N 2 0 265.401 1.023 10 0 CDAERP O=C(N[C@@H]1CCCC[NH2+]C1)N1CC[NH+](C2CCC2)CC1 ZINC000334928193 150095331 /nfs/dbraw/zinc/09/53/31/150095331.db2.gz BOJVSPHIJKRKOT-CYBMUJFWSA-N 2 0 280.416 1.008 10 0 CDAERP CC1=CC[N@H+](CCNC(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)CC1 ZINC000335186901 150385271 /nfs/dbraw/zinc/38/52/71/150385271.db2.gz YQOFKPLPYICVAC-ZIAGYGMSSA-N 2 0 280.416 1.030 10 0 CDAERP CN(CC[NH2+]CC1=CCCCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001664369549 1172845406 /nfs/dbraw/zinc/84/54/06/1172845406.db2.gz BKDCBZMLGPNWJY-OAHLLOKOSA-N 2 0 279.428 1.487 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+]2CCC1CC2 ZINC000335786913 151019268 /nfs/dbraw/zinc/01/92/68/151019268.db2.gz QKLBBFNVOCQWFD-HNNXBMFYSA-N 2 0 279.428 1.556 10 0 CDAERP CCC1(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCOCC1 ZINC000336022456 151204035 /nfs/dbraw/zinc/20/40/35/151204035.db2.gz VYJONMFQPUZNAT-KGLIPLIRSA-N 2 0 252.402 1.735 10 0 CDAERP CN(CCC[N@H+](C)CC[C@H]1CCCCO1)CC[NH+](C)C ZINC000344031094 152395396 /nfs/dbraw/zinc/39/53/96/152395396.db2.gz PDJJCNLVFSYTPT-MRXNPFEDSA-N 2 0 285.476 1.761 10 0 CDAERP O=C(C[N@@H+]1CC[C@H](C2CC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000344037143 152399070 /nfs/dbraw/zinc/39/90/70/152399070.db2.gz STQAWRGCDZUNKC-AWEZNQCLSA-N 2 0 291.439 1.461 10 0 CDAERP CC[N@H+](CCNC(=O)NC[C@H]1CC[NH+]1C(C)(C)C)C1CC1 ZINC000660586347 413266304 /nfs/dbraw/zinc/26/63/04/413266304.db2.gz GGJGRWFNUSFIHO-CQSZACIVSA-N 2 0 296.459 1.643 10 0 CDAERP CCCn1cc(C[N@H+](C)CCCN2CC[NH+](C)CC2)cn1 ZINC000349282438 154080798 /nfs/dbraw/zinc/08/07/98/154080798.db2.gz QJPPLAKCPBEUPG-UHFFFAOYSA-N 2 0 293.459 1.362 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+][C@H]1CCCSC1 ZINC000349687177 154180790 /nfs/dbraw/zinc/18/07/90/154180790.db2.gz ZJPLBIHYOWYJEY-ZDUSSCGKSA-N 2 0 260.447 1.830 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)N(C)[C@@H]1CC[NH+](C2CC2)C1 ZINC000350071256 154319789 /nfs/dbraw/zinc/31/97/89/154319789.db2.gz FZUFFUHLBAIDAY-UKRRQHHQSA-N 2 0 296.459 1.595 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000662685980 413309289 /nfs/dbraw/zinc/30/92/89/413309289.db2.gz JOYLPCJDJJGWED-RISCZKNCSA-N 2 0 277.368 1.413 10 0 CDAERP O[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C12CCC2 ZINC000658249447 413312519 /nfs/dbraw/zinc/31/25/19/413312519.db2.gz BCHNLAXSPWSTNV-HUUCEWRRSA-N 2 0 264.413 1.754 10 0 CDAERP Cc1ccc([C@@H](CNC(=O)CC2([NH3+])CC2)[NH+](C)C)cc1 ZINC000662689075 413319583 /nfs/dbraw/zinc/31/95/83/413319583.db2.gz DLJNNDWRDKJIBY-CQSZACIVSA-N 2 0 275.396 1.595 10 0 CDAERP [NH3+][C@H](c1cn([C@@H]2CC[NH2+]C2)nn1)c1ccc(Cl)cc1 ZINC000656468812 413327393 /nfs/dbraw/zinc/32/73/93/413327393.db2.gz TYVIFXDWRFVROJ-YPMHNXCESA-N 2 0 277.759 1.514 10 0 CDAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3nn(C)cc32)C1 ZINC000358927968 158075104 /nfs/dbraw/zinc/07/51/04/158075104.db2.gz DRHJVLGQTDPMOR-JSGCOSHPSA-N 2 0 262.401 1.729 10 0 CDAERP CS[C@@H]1CN(C(=O)c2ccc(C[NH3+])cc2)C[C@@H]1[NH+](C)C ZINC000262303852 286704160 /nfs/dbraw/zinc/70/41/60/286704160.db2.gz OFTQVVOAKKDEGE-UONOGXRCSA-N 2 0 293.436 1.263 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)NCCCn1ccnc1 ZINC000656538604 413388413 /nfs/dbraw/zinc/38/84/13/413388413.db2.gz YZWRPANOJBHCRC-ZDUSSCGKSA-N 2 0 293.415 1.445 10 0 CDAERP C[NH+](C)CCCCNC(=O)c1ccccc1C[NH+](C)C ZINC000362761719 159231911 /nfs/dbraw/zinc/23/19/11/159231911.db2.gz BEOIKJMTFKLEHJ-UHFFFAOYSA-N 2 0 277.412 1.820 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000662730340 413396914 /nfs/dbraw/zinc/39/69/14/413396914.db2.gz DARMJSROLPBJTQ-ZIAGYGMSSA-N 2 0 263.385 1.046 10 0 CDAERP C[C@@H](C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)C1C[NH2+]C1 ZINC000262562139 286775949 /nfs/dbraw/zinc/77/59/49/286775949.db2.gz QUYWARAUVUABNH-ABAIWWIYSA-N 2 0 293.386 1.400 10 0 CDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H]2CCC(C)(C)O2)CC1 ZINC000184654935 287085991 /nfs/dbraw/zinc/08/59/91/287085991.db2.gz DUJCYKAAAPZVLV-ZBFHGGJFSA-N 2 0 298.471 1.969 10 0 CDAERP C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000344455208 165068787 /nfs/dbraw/zinc/06/87/87/165068787.db2.gz XAASGDXLHBARGL-LRDDRELGSA-N 2 0 279.403 1.927 10 0 CDAERP C[C@@H]1CN(C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])C[C@@]1(C)C[NH3+] ZINC000417844227 296868513 /nfs/dbraw/zinc/86/85/13/296868513.db2.gz RHTANAOSZPJCEI-OSRDXIQISA-N 2 0 267.417 1.337 10 0 CDAERP Cc1ccsc1[C@H](C[NH3+])N1CCC[N@@H+](C)CC1 ZINC000020217669 171079340 /nfs/dbraw/zinc/07/93/40/171079340.db2.gz REOUYXXAHKGTRI-LBPRGKRZSA-N 2 0 253.415 1.694 10 0 CDAERP C[N@@H+]1CCCN([C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000020217644 171080072 /nfs/dbraw/zinc/08/00/72/171080072.db2.gz JMYLEJOICTVLDY-AWEZNQCLSA-N 2 0 251.349 1.463 10 0 CDAERP C[N@@H+]1CCCN(c2cccc(Cl)c2C[NH3+])CC1 ZINC000020469763 171211837 /nfs/dbraw/zinc/21/18/37/171211837.db2.gz XZHHEYILPWTPMA-UHFFFAOYSA-N 2 0 253.777 1.941 10 0 CDAERP CN([C@@H](C[NH3+])c1ccc(F)c(F)c1)C1CC[NH+](C)CC1 ZINC000022211511 171373624 /nfs/dbraw/zinc/37/36/24/171373624.db2.gz YKHFEWNSNRCRCM-HNNXBMFYSA-N 2 0 283.366 1.991 10 0 CDAERP CCC[C@@](C)([NH3+])C(=O)NCc1ccccc1C[NH2+]C ZINC000653211416 412140766 /nfs/dbraw/zinc/14/07/66/412140766.db2.gz XXUIXAFBHGYTNB-OAHLLOKOSA-N 2 0 263.385 1.540 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+] ZINC000653175873 412114792 /nfs/dbraw/zinc/11/47/92/412114792.db2.gz DUWUFLVYCFGKIV-ZIAGYGMSSA-N 2 0 271.449 1.700 10 0 CDAERP [NH3+]C1(CNC(=O)[C@H]2C[C@]23CCC[NH2+]C3)CCCCCC1 ZINC000655412976 412189258 /nfs/dbraw/zinc/18/92/58/412189258.db2.gz GCRODFFOYZUVOZ-HIFRSBDPSA-N 2 0 279.428 1.544 10 0 CDAERP [NH3+]CC1(CCNC(=O)[C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000653222820 412148460 /nfs/dbraw/zinc/14/84/60/412148460.db2.gz PZPWEXNAZKFVAZ-AWEZNQCLSA-N 2 0 273.380 1.119 10 0 CDAERP C[NH+]1CCC(NC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000660820699 413517609 /nfs/dbraw/zinc/51/76/09/413517609.db2.gz FSYGOZNMBSLBGY-CYBMUJFWSA-N 2 0 282.432 1.253 10 0 CDAERP COCC[C@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000656679646 413526984 /nfs/dbraw/zinc/52/69/84/413526984.db2.gz YZOSXFVFIVAGGB-AWEZNQCLSA-N 2 0 284.444 1.892 10 0 CDAERP [NH3+][C@H]1CC(=O)N(C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000035679709 172350264 /nfs/dbraw/zinc/35/02/64/172350264.db2.gz BVXFKZIMZSEETA-AWEZNQCLSA-N 2 0 273.380 1.211 10 0 CDAERP [NH3+][C@@H]1CC(=O)N(C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000035679708 172350802 /nfs/dbraw/zinc/35/08/02/172350802.db2.gz BVXFKZIMZSEETA-CQSZACIVSA-N 2 0 273.380 1.211 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C1CCN(C(N)=O)CC1 ZINC000037200216 287268258 /nfs/dbraw/zinc/26/82/58/287268258.db2.gz BILXGONJOKLZNM-CYBMUJFWSA-N 2 0 282.432 1.384 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)NCC[NH2+]C1CCCCCC1 ZINC000659294470 413685559 /nfs/dbraw/zinc/68/55/59/413685559.db2.gz NMIMTJQNNUNRPH-AWEZNQCLSA-N 2 0 285.432 1.167 10 0 CDAERP C[C@H]([NH3+])[C@H]1CN(c2cc[nH+]c3ccccc32)CCO1 ZINC000132936242 413793432 /nfs/dbraw/zinc/79/34/32/413793432.db2.gz CZOBTHMSWVEWIY-XHDPSFHLSA-N 2 0 257.337 1.787 10 0 CDAERP [NH3+][C@H](CC1CCCCC1)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659388533 413774917 /nfs/dbraw/zinc/77/49/17/413774917.db2.gz JTMSJWBSFUTDLV-JHJVBQTASA-N 2 0 271.380 1.182 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](Cn2ccnn2)C1 ZINC000661149851 413835835 /nfs/dbraw/zinc/83/58/35/413835835.db2.gz YBRSLTJGFSLFJK-LSDHHAIUSA-N 2 0 277.416 1.474 10 0 CDAERP O=C(NCC[NH+]1CCCCCC1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407360481 413942860 /nfs/dbraw/zinc/94/28/60/413942860.db2.gz HFNXAOXDWVTXPV-CABCVRRESA-N 2 0 279.428 1.509 10 0 CDAERP [NH3+]CC12CC(C1)CN2C(=O)NCCCCC[NH+]1CCCC1 ZINC000659496332 413886685 /nfs/dbraw/zinc/88/66/85/413886685.db2.gz OCBLWRQIJRVFPI-UHFFFAOYSA-N 2 0 294.443 1.385 10 0 CDAERP COC[C@@H](CC[NH2+][C@H](C)c1ccc(C[NH3+])nc1C)OC ZINC000665234384 413959334 /nfs/dbraw/zinc/95/93/34/413959334.db2.gz CAMAKUMSGKLUNB-BXUZGUMPSA-N 2 0 281.400 1.551 10 0 CDAERP CC[C@@H]1CC[C@@H]1[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000665288954 414024245 /nfs/dbraw/zinc/02/42/45/414024245.db2.gz BRQQMDXRTHXSJY-HIFRSBDPSA-N 2 0 281.444 1.755 10 0 CDAERP CC[N@@H+]1C[C@H](C)N(C(=O)NCC[C@@H]([NH3+])C(C)C)C[C@H]1C ZINC000659622216 414032865 /nfs/dbraw/zinc/03/28/65/414032865.db2.gz ONBRNMDBNYXHNX-HZSPNIEDSA-N 2 0 284.448 1.484 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(C(=O)NCC[C@@H]([NH3+])C(C)C)C1 ZINC000659624873 414034865 /nfs/dbraw/zinc/03/48/65/414034865.db2.gz ZRFPGQXXTRJMDF-UONOGXRCSA-N 2 0 284.448 1.486 10 0 CDAERP c1cc(CNC[C@H]2CC[N@@H+](C3CC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000657306990 414147383 /nfs/dbraw/zinc/14/73/83/414147383.db2.gz FXBMKZPKLOCTQS-CQSZACIVSA-N 2 0 297.406 1.841 10 0 CDAERP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cnn2c1CCC2 ZINC000657356484 414223704 /nfs/dbraw/zinc/22/37/04/414223704.db2.gz MYHIRLXIZVUTTG-HNNXBMFYSA-N 2 0 292.427 1.156 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C2CCN([C@@H]3CCOC3)CC2)C1 ZINC000655803028 414195795 /nfs/dbraw/zinc/19/57/95/414195795.db2.gz KWRDLKVXVVCYGZ-BMFZPTHFSA-N 2 0 281.444 1.170 10 0 CDAERP CO[C@](C)(CO)C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000655809123 414211713 /nfs/dbraw/zinc/21/17/13/414211713.db2.gz RAAPBLXEACNDCY-INIZCTEOSA-N 2 0 296.411 1.114 10 0 CDAERP C[C@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2CCNC2=O)CC1 ZINC000663456123 414265830 /nfs/dbraw/zinc/26/58/30/414265830.db2.gz FHMBGWVOWBFYAG-QEJZJMRPSA-N 2 0 279.428 1.508 10 0 CDAERP C[C@H]1C[C@H](NCc2nc3c(s2)C[NH2+]CC3)CC[NH2+]1 ZINC000663497419 414296330 /nfs/dbraw/zinc/29/63/30/414296330.db2.gz NYTGRQLDFZENII-VHSXEESVSA-N 2 0 266.414 1.019 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)CN1CCC[C@@]2(CCCOC2)C1 ZINC000659981064 414320111 /nfs/dbraw/zinc/32/01/11/414320111.db2.gz FVQXJAAQGSTEJI-JKSUJKDBSA-N 2 0 284.444 1.580 10 0 CDAERP Cc1n[nH]cc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657535505 414419812 /nfs/dbraw/zinc/41/98/12/414419812.db2.gz NMXMURVARLAYHR-UHFFFAOYSA-N 2 0 292.427 1.699 10 0 CDAERP C[C@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@](C)(C(F)F)O1 ZINC000662237514 414579395 /nfs/dbraw/zinc/57/93/95/414579395.db2.gz VVPIJMFGGOEIAQ-GXFFZTMASA-N 2 0 262.344 1.731 10 0 CDAERP C[N@H+](Cc1cccc2c1CC[NH2+]C2)CC(C)(C)C[NH3+] ZINC000662248041 414583733 /nfs/dbraw/zinc/58/37/33/414583733.db2.gz RJGBNCFOPWVXOA-UHFFFAOYSA-N 3 0 261.413 1.749 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)[C@H]([NH3+])[C@@H](C)CC)CC1 ZINC000038100757 174115319 /nfs/dbraw/zinc/11/53/19/174115319.db2.gz RFFPQOXHIMNWTO-GXTWGEPZSA-N 2 0 269.433 1.693 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000038100752 174115736 /nfs/dbraw/zinc/11/57/36/174115736.db2.gz VVGOHZLAWHTDBR-ZDUSSCGKSA-N 2 0 255.406 1.303 10 0 CDAERP C[C@H](C1CCCCC1)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508180 174303271 /nfs/dbraw/zinc/30/32/71/174303271.db2.gz YNWJWVDQOIZBGL-GDBMZVCRSA-N 2 0 293.455 1.851 10 0 CDAERP C[NH2+]C[C@H]1CCC[N@@H+](C2CCC3(CC2)OCCO3)C1 ZINC000040592548 174347383 /nfs/dbraw/zinc/34/73/83/174347383.db2.gz QWWFVGITOCPUBI-CYBMUJFWSA-N 2 0 268.401 1.604 10 0 CDAERP C[C@@H]1CC[C@@H](C(=O)N2CCC([NH+]3CCCCC3)CC2)C[NH2+]1 ZINC000040694381 174377767 /nfs/dbraw/zinc/37/77/67/174377767.db2.gz QIJSTKNHXYLDSA-HUUCEWRRSA-N 2 0 293.455 1.851 10 0 CDAERP CCCNC(=O)[C@@H](C)[NH2+]C1[C@@H]2CCC[C@H]1C[N@H+](C(C)C)C2 ZINC000040769215 174399501 /nfs/dbraw/zinc/39/95/01/174399501.db2.gz VHPFMYCARNBVNK-JZWPEALZSA-N 2 0 295.471 2.000 10 0 CDAERP CC(C)[C@H](CNC(=O)C1([NH3+])CCCC1)[NH+]1CCCC1 ZINC000040831180 174412699 /nfs/dbraw/zinc/41/26/99/174412699.db2.gz ZRWASWRXTQTCAN-ZDUSSCGKSA-N 2 0 267.417 1.495 10 0 CDAERP CC[C@@H]([NH3+])[C@H](c1ccncc1)N1CCC[N@H+](C)CC1 ZINC000043353170 175020113 /nfs/dbraw/zinc/02/01/13/175020113.db2.gz PGSTXRZVHNMRFL-CABCVRRESA-N 2 0 262.401 1.498 10 0 CDAERP CC[C@@H]([NH3+])[C@H](N1CCC([NH+](C)C)CC1)C(F)(F)F ZINC000043377615 175029984 /nfs/dbraw/zinc/02/99/84/175029984.db2.gz ZMAAYYFDUPHGNE-MNOVXSKESA-N 2 0 267.339 1.681 10 0 CDAERP C[C@H]([NH3+])[C@@H](N(C)C1CC[NH+](C)CC1)C(F)(F)F ZINC000043376452 175030144 /nfs/dbraw/zinc/03/01/44/175030144.db2.gz PTGMRPYEHUEWIR-WCBMZHEXSA-N 2 0 253.312 1.291 10 0 CDAERP CCC[NH2+][C@@H](C)[C@H](C)N1CC[NH+](CC2CC2)CC1 ZINC000043968029 175129318 /nfs/dbraw/zinc/12/93/18/175129318.db2.gz CTDRINIBKBKZSO-KBPBESRZSA-N 2 0 253.434 1.791 10 0 CDAERP C[N@H+]1[C@@H]2CC[C@H]1Cc1nc(N3CC[NH2+]CC3)sc12 ZINC000044494160 175182217 /nfs/dbraw/zinc/18/22/17/175182217.db2.gz CHXVOWBWBIXWJW-GXSJLCMTSA-N 2 0 264.398 1.244 10 0 CDAERP CC[NH+]1CCC(C[NH2+]CC(=O)NC(C)(C)C)CC1 ZINC000044518728 175191442 /nfs/dbraw/zinc/19/14/42/175191442.db2.gz DDWUTXAXNTUGTJ-UHFFFAOYSA-N 2 0 255.406 1.223 10 0 CDAERP CC[NH+](CC)CCCNC(=O)C1(C[NH3+])CCCCC1 ZINC000044753193 175245437 /nfs/dbraw/zinc/24/54/37/175245437.db2.gz CTIXLTIEFJEFSE-UHFFFAOYSA-N 2 0 269.433 1.744 10 0 CDAERP [NH3+]CC1(C(=O)NCC[NH+]2CCCCC2)CCCCCC1 ZINC000044763894 175247702 /nfs/dbraw/zinc/24/77/02/175247702.db2.gz JAGXZMQYFRXSIV-UHFFFAOYSA-N 2 0 281.444 1.888 10 0 CDAERP C[N@@H+]1CCC[C@H](CNC(=O)C2(C[NH3+])CCCCCC2)C1 ZINC000044764401 175248497 /nfs/dbraw/zinc/24/84/97/175248497.db2.gz JCQZUJALGGTEML-CQSZACIVSA-N 2 0 281.444 1.744 10 0 CDAERP [NH3+]CC1(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CCCCC1 ZINC000044764448 175248611 /nfs/dbraw/zinc/24/86/11/175248611.db2.gz XXVHTMYGDJFKGZ-LBPRGKRZSA-N 2 0 265.401 1.249 10 0 CDAERP CCC[C@@H](C[NH3+])C(=O)N(C)C1CC[NH+](CC)CC1 ZINC000044807928 175257195 /nfs/dbraw/zinc/25/71/95/175257195.db2.gz RLNUJVQNIKQQAV-LBPRGKRZSA-N 2 0 255.406 1.304 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](C[NH2+]CCCC(=O)N(C)C)C1 ZINC000045134758 175312772 /nfs/dbraw/zinc/31/27/72/175312772.db2.gz RZBOEFXULDEHQS-CYBMUJFWSA-N 2 0 255.406 1.175 10 0 CDAERP CCOC(=O)[C@H](C)C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000045134767 175313034 /nfs/dbraw/zinc/31/30/34/175313034.db2.gz HRWPCUHPLOUYQM-CHWSQXEVSA-N 2 0 256.390 1.506 10 0 CDAERP C[C@@H]1C[NH+](CCCC[C@](C)([NH2+]C2CC2)C(N)=O)C[C@@H](C)O1 ZINC000045376923 175366842 /nfs/dbraw/zinc/36/68/42/175366842.db2.gz CVTFRVXPJHBFRW-IOASZLSFSA-N 2 0 297.443 1.262 10 0 CDAERP CC[NH2+][C@](C)(CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(N)=O ZINC000045376901 175366904 /nfs/dbraw/zinc/36/69/04/175366904.db2.gz XGNFHMPAEFZHKD-VNHYZAJKSA-N 2 0 285.432 1.119 10 0 CDAERP CCC[N@H+](C)CCCC[C@](C)([NH2+]C1CC1)C(N)=O ZINC000045382256 175370844 /nfs/dbraw/zinc/37/08/44/175370844.db2.gz SFMJRJOZKMZICJ-AWEZNQCLSA-N 2 0 255.406 1.495 10 0 CDAERP CCC[N@H+](CC)CCCC[C@@](C)([NH2+]C1CC1)C(N)=O ZINC000045386988 175373406 /nfs/dbraw/zinc/37/34/06/175373406.db2.gz JKBFUCUACILXHH-OAHLLOKOSA-N 2 0 269.433 1.885 10 0 CDAERP CCC[N@H+](CCC[C@](C)([NH2+]CC)C(N)=O)C1CC1 ZINC000045387610 175374046 /nfs/dbraw/zinc/37/40/46/175374046.db2.gz SRHCTFYFFSFYQT-AWEZNQCLSA-N 2 0 255.406 1.495 10 0 CDAERP C[N@H+](CCCC[C@@](C)([NH2+]C1CC1)C(N)=O)CC1CC1 ZINC000045419937 175377655 /nfs/dbraw/zinc/37/76/55/175377655.db2.gz XJVIRSNCGLLFOO-OAHLLOKOSA-N 2 0 267.417 1.495 10 0 CDAERP CCCN(CC[NH+](C)C)C[C@@](O)(C[NH3+])c1ccccc1 ZINC000070521617 175967242 /nfs/dbraw/zinc/96/72/42/175967242.db2.gz MVVXEKYHGAATQA-INIZCTEOSA-N 2 0 279.428 1.107 10 0 CDAERP CCC[NH+]1CCC(N2CCC[C@@H]([NH2+]C3CC3)C2=O)CC1 ZINC000071032039 176022812 /nfs/dbraw/zinc/02/28/12/176022812.db2.gz MWVXFQIJTVDDOX-OAHLLOKOSA-N 2 0 279.428 1.604 10 0 CDAERP CCC[NH2+][C@H]1CCCN([C@@H](CC(C)C)C[NH+](C)C)C1=O ZINC000071031991 176022828 /nfs/dbraw/zinc/02/28/28/176022828.db2.gz VYJOUISTYMYNHB-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CC[NH2+][C@@H]1CCCN(CCCC[N@H+](C)C(C)C)C1=O ZINC000071034903 176024725 /nfs/dbraw/zinc/02/47/25/176024725.db2.gz UMRKZROAHPAFFA-CQSZACIVSA-N 2 0 269.433 1.707 10 0 CDAERP C[C@H](CC[NH+](C)C)N1CCC[C@H]([NH2+]C2CC2)C1=O ZINC000071037257 176026005 /nfs/dbraw/zinc/02/60/05/176026005.db2.gz ODANZTJXHMLFHY-YPMHNXCESA-N 2 0 253.390 1.070 10 0 CDAERP CC[C@H]1CCC[C@@H]([N@@H+]2CCC[C@@H]2C(=O)N2CC[NH2+]CC2)C1 ZINC000071126318 176035615 /nfs/dbraw/zinc/03/56/15/176035615.db2.gz ODXLQICMUMLZQI-ARFHVFGLSA-N 2 0 293.455 1.851 10 0 CDAERP CN(CC(=O)Nc1ccccc1N)C[C@H]1CC[N@H+](C)C1 ZINC000071187658 176060630 /nfs/dbraw/zinc/06/06/30/176060630.db2.gz CVPLFALCKOSFCX-LBPRGKRZSA-N 2 0 276.384 1.091 10 0 CDAERP CC[C@H]([NH3+])[C@H](c1cccnc1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188130 176063000 /nfs/dbraw/zinc/06/30/00/176063000.db2.gz CEROQTFVZXEZON-KBMXLJTQSA-N 2 0 276.428 1.744 10 0 CDAERP C[NH2+][C@@H](CN(C)C[C@@H]1CC[N@H+](C)C1)c1ccc(OC)cc1 ZINC000071188842 176063350 /nfs/dbraw/zinc/06/33/50/176063350.db2.gz GDCYTUKBTQQISF-PBHICJAKSA-N 2 0 291.439 1.839 10 0 CDAERP CN(CC[NH2+]C1CCCCC1)C[C@@H]1CC[N@H+](C)C1 ZINC000071192273 176073002 /nfs/dbraw/zinc/07/30/02/176073002.db2.gz ULPGZWVGDIKYPY-CQSZACIVSA-N 2 0 253.434 1.792 10 0 CDAERP COCC[N@H+](C)CCN1CCC[C@H]([NH2+]C(C)C)C1 ZINC000071199645 176077369 /nfs/dbraw/zinc/07/73/69/176077369.db2.gz HZNKUWPCRUXDNX-AWEZNQCLSA-N 2 0 257.422 1.027 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCC[N@H+](C)C2CCCC2)CC[C@@H]1[NH3+] ZINC000071380121 176144291 /nfs/dbraw/zinc/14/42/91/176144291.db2.gz YWHKSEBETQFCRN-YDHLFZDLSA-N 2 0 281.444 1.741 10 0 CDAERP CC(C)(O)C[NH+]1CCN([C@H](CC[NH3+])c2ccccc2)CC1 ZINC000071380530 176145136 /nfs/dbraw/zinc/14/51/36/176145136.db2.gz UTAQWHMDHCWTHL-MRXNPFEDSA-N 2 0 291.439 1.465 10 0 CDAERP CC(C)(O)C[NH+]1CCN([C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000071381595 176145381 /nfs/dbraw/zinc/14/53/81/176145381.db2.gz QPWZXVXEZKKJPE-KGLIPLIRSA-N 2 0 269.433 1.035 10 0 CDAERP COc1ccc(C[NH+]2CCC(C(N)=[NH2+])CC2)cc1OC ZINC000079842998 177569309 /nfs/dbraw/zinc/56/93/09/177569309.db2.gz SMHOSSCAUVOSPT-UHFFFAOYSA-N 2 0 277.368 1.852 10 0 CDAERP CN(C(=O)NC1CCC(C[NH+](C)C)CC1)C1CC([NH3+])C1 ZINC000417909749 227151739 /nfs/dbraw/zinc/15/17/39/227151739.db2.gz DHDLYKYOJHGURM-UHFFFAOYSA-N 2 0 282.432 1.238 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)NCC2([NH3+])CCC2)CC1 ZINC000417943834 227309487 /nfs/dbraw/zinc/30/94/87/227309487.db2.gz VKWXMBFKMHMYBH-UHFFFAOYSA-N 2 0 282.432 1.287 10 0 CDAERP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]CC2(F)CC2)C1 ZINC000526043009 260114658 /nfs/dbraw/zinc/11/46/58/260114658.db2.gz TVKRLKOUBUWURS-HNNXBMFYSA-N 2 0 278.371 1.845 10 0 CDAERP C[C@@H]1CC[N@H+](Cc2ccc(-n3cncn3)cc2)C[C@H]1C[NH3+] ZINC000415138170 263276117 /nfs/dbraw/zinc/27/61/17/263276117.db2.gz YMHXHUOVVCFXOZ-UKRRQHHQSA-N 2 0 285.395 1.684 10 0 CDAERP CC(C)C(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000093214267 263283230 /nfs/dbraw/zinc/28/32/30/263283230.db2.gz QMENPIAMYNTRMG-TZMCWYRMSA-N 2 0 267.417 1.493 10 0 CDAERP C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000659473775 423796823 /nfs/dbraw/zinc/79/68/23/423796823.db2.gz MSZQGXWEDVBWLL-CFVMTHIKSA-N 2 0 290.411 1.339 10 0 CDAERP C[N@H+](CC1CC1)C[C@@H]1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662261745 423806568 /nfs/dbraw/zinc/80/65/68/423806568.db2.gz AKQBSVNXHXWDMN-HOTGVXAUSA-N 2 0 293.455 1.171 10 0 CDAERP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2nc3c(s2)C[NH2+]CC3)C1 ZINC000663496024 423888781 /nfs/dbraw/zinc/88/87/81/423888781.db2.gz CGMTXLLMUGKYFI-UWVGGRQHSA-N 3 0 266.414 1.006 10 0 CDAERP CC[C@H](NC[C@H]1C[NH2+]CCO1)c1c(C)noc1C ZINC000662283984 423898026 /nfs/dbraw/zinc/89/80/26/423898026.db2.gz WLRMWVHERPBWNB-NEPJUHHUSA-N 2 0 253.346 1.321 10 0 CDAERP Cc1nc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)co1 ZINC000662287099 423914957 /nfs/dbraw/zinc/91/49/57/423914957.db2.gz WAEBDLXJVANLAM-GUTXKFCHSA-N 2 0 279.384 1.701 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N[C@@H](C)C[NH+](C)C ZINC000652192172 424013706 /nfs/dbraw/zinc/01/37/06/424013706.db2.gz SEPOQNUGZVSKEL-LBPRGKRZSA-N 2 0 278.400 1.155 10 0 CDAERP CC(C)([NH3+])c1cc(C(=O)NC[C@H]([NH3+])c2ccccc2)on1 ZINC000662414440 424063951 /nfs/dbraw/zinc/06/39/51/424063951.db2.gz ZPXFROOMTBDHMW-NSHDSACASA-N 2 0 288.351 1.298 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)NCCC1CC[NH2+]CC1 ZINC000652224543 424083949 /nfs/dbraw/zinc/08/39/49/424083949.db2.gz BEMHGQHGZPWXEE-UHFFFAOYSA-N 2 0 298.475 1.653 10 0 CDAERP C[NH2+][C@H]1CCCN(C(=O)NCCC[N@H+](C)CC(C)C)C1 ZINC000652225014 424084987 /nfs/dbraw/zinc/08/49/87/424084987.db2.gz NGBXKMALPVYJKQ-AWEZNQCLSA-N 2 0 284.448 1.358 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000652225086 424085095 /nfs/dbraw/zinc/08/50/95/424085095.db2.gz PPCMVIBUHCSMDL-NWDGAFQWSA-N 2 0 278.400 1.331 10 0 CDAERP CCCN(CCC[NH+](C)C)C(=O)NCCC1(C[NH3+])CC1 ZINC000652236619 424113116 /nfs/dbraw/zinc/11/31/16/424113116.db2.gz TYSGQYRQVHCOPJ-UHFFFAOYSA-N 2 0 284.448 1.489 10 0 CDAERP C[NH+](C)CCC1CCN(C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652242967 424126566 /nfs/dbraw/zinc/12/65/66/424126566.db2.gz YJQGETVFRJJLPG-UHFFFAOYSA-N 2 0 296.459 1.489 10 0 CDAERP O=C(NCCC1CC[NH2+]CC1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000652323590 424238758 /nfs/dbraw/zinc/23/87/58/424238758.db2.gz KXJFADNNENFGRJ-INIZCTEOSA-N 2 0 294.443 1.161 10 0 CDAERP C[C@@H]1CCC[N@H+](CCN2CCCC2=O)[C@H]1CC[NH3+] ZINC000652353879 424285644 /nfs/dbraw/zinc/28/56/44/424285644.db2.gz GFPVHIPEAMORQH-OLZOCXBDSA-N 2 0 253.390 1.058 10 0 CDAERP C[N@H+](CCNC(=O)CC1([NH3+])CC1)C1CCCCC1 ZINC000662680936 424302031 /nfs/dbraw/zinc/30/20/31/424302031.db2.gz PACRIPYIZKAVFC-UHFFFAOYSA-N 2 0 253.390 1.249 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000518959937 265249611 /nfs/dbraw/zinc/24/96/11/265249611.db2.gz SEJPMFLKMGGCKM-UGUYLWEFSA-N 2 0 293.455 1.885 10 0 CDAERP [NH3+]CC[C@H]1CCCN(C(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662774783 424436438 /nfs/dbraw/zinc/43/64/38/424436438.db2.gz RNPKVUBQXKGGGL-GFCCVEGCSA-N 2 0 265.401 1.249 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662733294 424390210 /nfs/dbraw/zinc/39/02/10/424390210.db2.gz SBKORGSRAIACEX-QWHCGFSZSA-N 2 0 257.422 1.487 10 0 CDAERP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655483174 424481869 /nfs/dbraw/zinc/48/18/69/424481869.db2.gz FJFBSDPULKCGBV-NUJGCVRESA-N 2 0 299.418 1.461 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)CC[NH2+]C1CC1 ZINC000655483281 424483985 /nfs/dbraw/zinc/48/39/85/424483985.db2.gz ATCKEQKVUTZHCO-UHFFFAOYSA-N 2 0 261.369 1.164 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[NH+]3CCCC[C@@H]23)CC[N@@H+]1C ZINC000655352061 424485472 /nfs/dbraw/zinc/48/54/72/424485472.db2.gz WDEPKUWOGAWGIB-VGWMRTNUSA-N 2 0 293.455 1.850 10 0 CDAERP CC(C)(C)[C@H]([NH3+])C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000662885638 424542388 /nfs/dbraw/zinc/54/23/88/424542388.db2.gz UCBRFEQTIWWNIJ-UONOGXRCSA-N 2 0 291.395 1.659 10 0 CDAERP C[NH+](C)CCC[C@@H]1CN(C(=O)CC[C@@H]2CCC[NH2+]2)CCO1 ZINC000662973177 424579772 /nfs/dbraw/zinc/57/97/72/424579772.db2.gz PGOAYYAUDKEPIV-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CC1(C)CC(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000530214087 271156223 /nfs/dbraw/zinc/15/62/23/271156223.db2.gz XOSDFKIHEWNTEU-HNNXBMFYSA-N 2 0 293.455 1.566 10 0 CDAERP Cl/C=C/C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530238710 271177715 /nfs/dbraw/zinc/17/77/15/271177715.db2.gz AYNPLLAKTDFNNS-CCRVJLMDSA-N 2 0 258.793 1.829 10 0 CDAERP CC[NH+](CC)CCCN[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422739133 276097505 /nfs/dbraw/zinc/09/75/05/276097505.db2.gz ZXHMKVSTCZPTMZ-GJZGRUSLSA-N 2 0 269.433 1.075 10 0 CDAERP CC1(C)COC[C@@H]1[NH2+]C/C=C\C[NH2+][C@H]1COCC1(C)C ZINC000451809660 276139479 /nfs/dbraw/zinc/13/94/79/276139479.db2.gz JORLVOOQCQODMD-LAWSMPECSA-N 2 0 282.428 1.572 10 0 CDAERP CC[N@@H+]1CC[C@H](C[NH2+][C@H](Cn2cccn2)C(C)C)C1 ZINC000336809758 276221746 /nfs/dbraw/zinc/22/17/46/276221746.db2.gz WQRVUDSXLSUBJE-HUUCEWRRSA-N 2 0 264.417 1.839 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000423093807 276288590 /nfs/dbraw/zinc/28/85/90/276288590.db2.gz IMNCQNKJYSFSAZ-RFGFWPKPSA-N 2 0 268.401 1.968 10 0 CDAERP CC[N@@H+]1CCC[C@H](N[C@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000250194505 276376104 /nfs/dbraw/zinc/37/61/04/276376104.db2.gz ARVRHSQVVLRISB-KKUMJFAQSA-N 2 0 251.418 1.687 10 0 CDAERP C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)C1 ZINC000087619440 276836480 /nfs/dbraw/zinc/83/64/80/276836480.db2.gz UUUWCMRTJPIMKE-HIFRSBDPSA-N 2 0 273.380 1.036 10 0 CDAERP C[C@@H](C[NH2+][C@@H](C)[C@H]1CC1(C)C)N1CC[NH+](C)CC1 ZINC000487304646 277587733 /nfs/dbraw/zinc/58/77/33/277587733.db2.gz DKWIAZHAKNFQDV-MELADBBJSA-N 2 0 253.434 1.647 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000417812934 278220601 /nfs/dbraw/zinc/22/06/01/278220601.db2.gz FXMJISVLYJIGQY-FRRDWIJNSA-N 2 0 265.401 1.118 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000232824921 278220941 /nfs/dbraw/zinc/22/09/41/278220941.db2.gz KUYPOKFKIZUOPE-MGPQQGTHSA-N 2 0 279.428 1.508 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000334955346 278221286 /nfs/dbraw/zinc/22/12/86/278221286.db2.gz KHFRKCOXZHMHRU-CYBMUJFWSA-N 2 0 261.369 1.862 10 0 CDAERP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H]2CCC(=O)NC2(C)C)cc1 ZINC000423293412 278319084 /nfs/dbraw/zinc/31/90/84/278319084.db2.gz RHJQEXRNLQCTJI-RISCZKNCSA-N 2 0 275.396 1.853 10 0 CDAERP C[C@H]1CC[NH2+]C[C@@H]1NCC[N@H+](C)C1CCCCC1 ZINC000422704850 278373031 /nfs/dbraw/zinc/37/30/31/278373031.db2.gz QKQXPLLECLWIHG-ZFWWWQNUSA-N 2 0 253.434 1.839 10 0 CDAERP CC(C)(C)OC(=O)N(CCC[NH3+])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000058040356 278377360 /nfs/dbraw/zinc/37/73/60/278377360.db2.gz LPIZICTUTLQYPP-CYBMUJFWSA-N 2 0 283.416 1.809 10 0 CDAERP CC[C@H]([NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1)C(=O)NC ZINC000423160105 288059311 /nfs/dbraw/zinc/05/93/11/288059311.db2.gz GWONJVVKJFNHDC-AVGNSLFASA-N 2 0 255.406 1.411 10 0 CDAERP CC[NH+](CC)CC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000247502688 279089250 /nfs/dbraw/zinc/08/92/50/279089250.db2.gz VFDQXEHPDBZAPA-CHWSQXEVSA-N 2 0 253.390 1.023 10 0 CDAERP CC[NH+](CC)CCC[N@@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000249033556 279096119 /nfs/dbraw/zinc/09/61/19/279096119.db2.gz MCJVKQRZAYPUBN-OLZOCXBDSA-N 2 0 255.406 1.304 10 0 CDAERP CC[NH+](CC)[C@@H](C)CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246554229 279143179 /nfs/dbraw/zinc/14/31/79/279143179.db2.gz YNMZBHGBHSYJDE-GJZGRUSLSA-N 2 0 296.459 1.596 10 0 CDAERP CC[NH+](CC)[C@@H](C)CNC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000121979954 279144041 /nfs/dbraw/zinc/14/40/41/279144041.db2.gz IUKJALSUXKCXQE-GJZGRUSLSA-N 2 0 298.475 1.890 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000372901922 279277473 /nfs/dbraw/zinc/27/74/73/279277473.db2.gz KEVTVEOQPGJOTG-MJBXVCDLSA-N 2 0 265.401 1.214 10 0 CDAERP O=C(NCC[C@@H]1CCC[NH2+]C1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262408814 279844527 /nfs/dbraw/zinc/84/45/27/279844527.db2.gz COXOLKIDXRMPJA-YJNKXOJESA-N 2 0 279.428 1.413 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H](C[NH3+])C1CC1)[NH+]1CCCCC1 ZINC000159194077 280182939 /nfs/dbraw/zinc/18/29/39/280182939.db2.gz DXNLRHLPGSZTQH-ZIAGYGMSSA-N 2 0 267.417 1.350 10 0 CDAERP CCC[C@H](C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C)[NH+](C)C ZINC000245762774 280231698 /nfs/dbraw/zinc/23/16/98/280231698.db2.gz IXNNTXBJBLHHFJ-MGPQQGTHSA-N 2 0 269.433 1.562 10 0 CDAERP CC[C@H](C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C)[NH+](C)C ZINC000338970783 280676420 /nfs/dbraw/zinc/67/64/20/280676420.db2.gz NFTKRRABRDWFPC-MELADBBJSA-N 2 0 269.433 1.706 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)NCCC[NH2+]C(C)C)CC1 ZINC000515402985 280896904 /nfs/dbraw/zinc/89/69/04/280896904.db2.gz SELOUTWQXPNCJR-UHFFFAOYSA-N 2 0 298.475 1.796 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000334929237 280998169 /nfs/dbraw/zinc/99/81/69/280998169.db2.gz GQCXUIJMEMPBBI-STQMWFEESA-N 2 0 267.417 1.352 10 0 CDAERP CCC[C@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000519635204 281033716 /nfs/dbraw/zinc/03/37/16/281033716.db2.gz WUUSJRJROPKNGR-NEPJUHHUSA-N 2 0 291.399 1.051 10 0 CDAERP C[C@H]([NH2+][C@H]1CCCN(CCCO)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527713093 281175244 /nfs/dbraw/zinc/17/52/44/281175244.db2.gz JYMVPIDNNPETLZ-TUUVXOQKSA-N 2 0 266.429 1.857 10 0 CDAERP C[NH+](C)C1(CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)CCCCC1 ZINC000070577357 282042102 /nfs/dbraw/zinc/04/21/02/282042102.db2.gz NXLQYBAWWJFXPD-KBPBESRZSA-N 2 0 281.444 1.885 10 0 CDAERP CCN(CC[NH2+]CC(C)C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001668644206 1173435841 /nfs/dbraw/zinc/43/58/41/1173435841.db2.gz AJYCUMYRXURKRZ-ZDUSSCGKSA-N 2 0 255.406 1.032 10 0 CDAERP C[NH+](C)[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)C1CC1 ZINC000353455146 289364668 /nfs/dbraw/zinc/36/46/68/289364668.db2.gz PGVBTEAGACRKDX-XUWVNRHRSA-N 2 0 265.445 1.789 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)N2CCOCC2)[C@H]2CCC[C@H]21 ZINC000367616175 290215752 /nfs/dbraw/zinc/21/57/52/290215752.db2.gz LJOWJOSYWKGGSA-OWCLPIDISA-N 2 0 295.471 1.560 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NCC2([NH+](C)C)CCCC2)C1 ZINC000557524763 290350425 /nfs/dbraw/zinc/35/04/25/290350425.db2.gz LYBPARKWXWUPSQ-ZDUSSCGKSA-N 2 0 267.417 1.319 10 0 CDAERP CCC[C@H](C(=O)NC[C@@H](C)C[NH+]1CCCC1)[NH+](C)C ZINC000161663028 292810595 /nfs/dbraw/zinc/81/05/95/292810595.db2.gz BHIMLIZSCFLFCG-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP CC[NH2+]CCCNC(=O)NC[C@H]([NH3+])c1ccccc1CC ZINC000561203664 293062727 /nfs/dbraw/zinc/06/27/27/293062727.db2.gz LAQLDCVYTBRASW-HNNXBMFYSA-N 2 0 292.427 1.548 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000423028956 293097514 /nfs/dbraw/zinc/09/75/14/293097514.db2.gz UFXDGUJLYSPHMO-RDBSUJKOSA-N 2 0 272.433 1.924 10 0 CDAERP [NH3+]Cc1ccc(-c2noc([C@H]3CCO[C@@H]3C[NH3+])n2)cc1 ZINC000563117952 293280222 /nfs/dbraw/zinc/28/02/22/293280222.db2.gz DGVYYXKCYUWFPB-NWDGAFQWSA-N 2 0 274.324 1.027 10 0 CDAERP C[C@H]1[NH2+]CC[C@@H]1c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000564958547 293470072 /nfs/dbraw/zinc/47/00/72/293470072.db2.gz HAOFPESWFHTISB-SKDRFNHKSA-N 2 0 258.325 1.661 10 0 CDAERP C[NH+](C)Cc1ccnc(NC(=O)[C@@H]2CCC[NH2+]C2)c1 ZINC000567806835 293873455 /nfs/dbraw/zinc/87/34/55/293873455.db2.gz IHDXIWOEOVISIN-GFCCVEGCSA-N 2 0 262.357 1.081 10 0 CDAERP CC(C)C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+](C)C ZINC000570408845 294234616 /nfs/dbraw/zinc/23/46/16/294234616.db2.gz KMVYPLVYIORODG-KGLIPLIRSA-N 2 0 269.433 1.421 10 0 CDAERP [NH3+]CC12CCC(CC1)CN2C(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000570692358 294290362 /nfs/dbraw/zinc/29/03/62/294290362.db2.gz BTSNFILXABNIPL-CKDBGZEDSA-N 2 0 287.407 1.286 10 0 CDAERP Cn1cncc1CCC[N@@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000570939227 294337950 /nfs/dbraw/zinc/33/79/50/294337950.db2.gz FTLHOBKANJRGPX-ZFWWWQNUSA-N 2 0 290.411 1.343 10 0 CDAERP C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000571047624 294359055 /nfs/dbraw/zinc/35/90/55/294359055.db2.gz FPMJFOLZCISDDU-RYUDHWBXSA-N 2 0 276.384 1.347 10 0 CDAERP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)NC1CC[NH+](C)CC1 ZINC000334589716 300310429 /nfs/dbraw/zinc/31/04/29/300310429.db2.gz NSSDFASBHJDWQN-ZFWWWQNUSA-N 2 0 294.443 1.349 10 0 CDAERP [NH3+][C@@H]1CC[C@@H](C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000227807917 303470542 /nfs/dbraw/zinc/47/05/42/303470542.db2.gz UMXHZZBSIFCJLR-MGPQQGTHSA-N 2 0 265.401 1.201 10 0 CDAERP CCOC(=O)CC[C@@H](O)C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000569804145 316851090 /nfs/dbraw/zinc/85/10/90/316851090.db2.gz JNVCTXWFNPLILT-CQSZACIVSA-N 2 0 291.351 1.128 10 0 CDAERP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CC1=O ZINC000577214634 317287014 /nfs/dbraw/zinc/28/70/14/317287014.db2.gz TVMUTQNPVSJQJK-KSTCHIGDSA-N 2 0 265.401 1.103 10 0 CDAERP CC[C@@H](F)C[NH2+]CC[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001672909981 1173808651 /nfs/dbraw/zinc/80/86/51/1173808651.db2.gz JRQGCYRPJOHABF-HUUCEWRRSA-N 2 0 299.434 1.659 10 0 CDAERP COC[C@@H](O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185693930 323395278 /nfs/dbraw/zinc/39/52/78/323395278.db2.gz RSEFRBSPMZOYDJ-YDHLFZDLSA-N 2 0 270.417 1.236 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000578986624 324073763 /nfs/dbraw/zinc/07/37/63/324073763.db2.gz KUHXNIALAVFECZ-ZJIFWQFVSA-N 2 0 293.455 1.837 10 0 CDAERP CCCC[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC001673904872 1173896597 /nfs/dbraw/zinc/89/65/97/1173896597.db2.gz NVSVNUGXONGEBZ-GOEBONIOSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](CC[NH2+]Cc1ccccc1)NC(=O)CC[NH+](C)C ZINC001699131441 1159310267 /nfs/dbraw/zinc/31/02/67/1159310267.db2.gz MJILSLRMOVUQDC-AWEZNQCLSA-N 2 0 277.412 1.623 10 0 CDAERP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)C[NH2+]C/C=C/Cl ZINC001732357285 1159784962 /nfs/dbraw/zinc/78/49/62/1159784962.db2.gz RQQSOLQYWPGHSI-RPTYSRGTSA-N 2 0 287.835 1.423 10 0 CDAERP CC(C)[NH2+][C@H](C)CN(C)C(=O)CCCC[NH+](C)C ZINC001700774514 1177126934 /nfs/dbraw/zinc/12/69/34/1177126934.db2.gz CPEUEBFBHRMGKJ-CYBMUJFWSA-N 2 0 257.422 1.563 10 0 CDAERP C[C@H](C[NH2+]Cc1ccccc1)N(C)C(=O)C[NH+]1CCCC1 ZINC001482364823 1160180031 /nfs/dbraw/zinc/18/00/31/1160180031.db2.gz QNISKHZCCLOKGF-OAHLLOKOSA-N 2 0 289.423 1.719 10 0 CDAERP CC(C)COCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001270922212 1160230360 /nfs/dbraw/zinc/23/03/60/1160230360.db2.gz SGCQQUAWKUYWMD-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP [NH3+]CC1(CCNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000652130778 482443599 /nfs/dbraw/zinc/44/35/99/482443599.db2.gz ZJCGSTZUKQEADS-CHWSQXEVSA-N 2 0 280.416 1.041 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000652291750 482459044 /nfs/dbraw/zinc/45/90/44/482459044.db2.gz GKDJXFSSMLVTBM-STQMWFEESA-N 2 0 290.411 1.298 10 0 CDAERP CC(C)[NH2+]CCC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000227454116 482460509 /nfs/dbraw/zinc/46/05/09/482460509.db2.gz XVTDMNJPIWPJHY-STQMWFEESA-N 2 0 253.390 1.070 10 0 CDAERP CC[NH+](CC)CCCNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000668546011 482473460 /nfs/dbraw/zinc/47/34/60/482473460.db2.gz NNOXGODJXKXWQF-INIZCTEOSA-N 2 0 296.459 1.503 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CC1([NH3+])CCC1 ZINC000094446980 482528639 /nfs/dbraw/zinc/52/86/39/482528639.db2.gz BKIJSCFICNRZLF-CHWSQXEVSA-N 2 0 265.401 1.343 10 0 CDAERP C[NH+](C)Cc1cc(CNC(=O)CC2([NH3+])CCC2)ccc1F ZINC000237047541 482605012 /nfs/dbraw/zinc/60/50/12/482605012.db2.gz ZIQLOJCQBURYFH-UHFFFAOYSA-N 2 0 293.386 1.775 10 0 CDAERP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000092955656 482641594 /nfs/dbraw/zinc/64/15/94/482641594.db2.gz KSCMRAWQGPJZOA-QEJZJMRPSA-N 2 0 275.396 1.404 10 0 CDAERP CO[C@@H]1CCC[C@@H]([NH2+]CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC000684385605 482786139 /nfs/dbraw/zinc/78/61/39/482786139.db2.gz YEXJAOJROZGRHU-HUUCEWRRSA-N 2 0 284.444 1.769 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000094647985 482799021 /nfs/dbraw/zinc/79/90/21/482799021.db2.gz IVDDSZQTBGYRQK-MELADBBJSA-N 2 0 267.417 1.221 10 0 CDAERP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(C(=O)NC2CC2)cc1 ZINC000666878517 482959818 /nfs/dbraw/zinc/95/98/18/482959818.db2.gz DYPSAMCXAIALPI-BLLLJJGKSA-N 2 0 287.407 1.666 10 0 CDAERP COc1c(C)cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1C ZINC000678343074 483033204 /nfs/dbraw/zinc/03/32/04/483033204.db2.gz MVIXFTKQYDWZJA-GJZGRUSLSA-N 2 0 260.381 1.963 10 0 CDAERP CC(C)[NH+](CCNC(=O)[C@H]1CCC[C@@H]1C[NH3+])C(C)C ZINC000089448677 483076609 /nfs/dbraw/zinc/07/66/09/483076609.db2.gz WTSJTWVCVHWQBY-KGLIPLIRSA-N 2 0 269.433 1.596 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000089453876 483078564 /nfs/dbraw/zinc/07/85/64/483078564.db2.gz NTVRFMOFSKGPCJ-FZMZJTMJSA-N 2 0 265.401 1.104 10 0 CDAERP COc1ccc2cc(C[NH2+]C[C@@H]3C[NH2+]C[C@@H]3O)ccc2c1 ZINC000263117973 483127639 /nfs/dbraw/zinc/12/76/39/483127639.db2.gz ARXGWUUWAYCOQU-WBVHZDCISA-N 2 0 286.375 1.518 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CC2(CC(N)=O)CCCCC2)CC[N@@H+]1C ZINC000658343651 483151307 /nfs/dbraw/zinc/15/13/07/483151307.db2.gz PZWBWJDVSAEURB-KGLIPLIRSA-N 2 0 281.444 1.885 10 0 CDAERP C[NH+]1CCN(c2cc(C[NH2+]C3CSC3)ccn2)CC1 ZINC000679839404 483158548 /nfs/dbraw/zinc/15/85/48/483158548.db2.gz WBJAQJNQMUFSCN-UHFFFAOYSA-N 2 0 278.425 1.038 10 0 CDAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cc(F)ccn1 ZINC000667658098 483370294 /nfs/dbraw/zinc/37/02/94/483370294.db2.gz ZNNHNPVEUXFNHT-UHFFFAOYSA-N 2 0 297.378 1.178 10 0 CDAERP CC(C)C[C@H](CNC(=O)[C@]1(C)CCCC[NH2+]1)[NH+](C)C ZINC000136197938 483381160 /nfs/dbraw/zinc/38/11/60/483381160.db2.gz AZIMAIZMGMBJSL-HIFRSBDPSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@H](NC(=O)N[C@@H]1CCC[N@H+](C)C1)C1=CC[NH+](C)CC1 ZINC000679686406 483420571 /nfs/dbraw/zinc/42/05/71/483420571.db2.gz MSXVFSYKEGSXHM-GXTWGEPZSA-N 2 0 280.416 1.030 10 0 CDAERP CCN(CC[NH2+]CC[C@@H](C)F)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001482944469 1160650403 /nfs/dbraw/zinc/65/04/03/1160650403.db2.gz GAUAFJAYPFTEFY-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001700452855 1160669694 /nfs/dbraw/zinc/66/96/94/1160669694.db2.gz UMSLCDGHFCVOGA-OLZOCXBDSA-N 2 0 255.406 1.173 10 0 CDAERP CC(C)C[NH+]1CCN([C@@H](C[NH3+])c2ccncc2)CC1 ZINC000055077487 519727672 /nfs/dbraw/zinc/72/76/72/519727672.db2.gz LZTDRBMZVMIPRA-HNNXBMFYSA-N 2 0 262.401 1.355 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)N[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000049197935 519814806 /nfs/dbraw/zinc/81/48/06/519814806.db2.gz DBOMSNSNLZMZTG-BARDWOONSA-N 2 0 255.450 1.891 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@H]2[NH2+]CCC[C@@H]2C)CC1 ZINC000051793852 519846171 /nfs/dbraw/zinc/84/61/71/519846171.db2.gz CXUAVCPYSOCDKW-JSGCOSHPSA-N 2 0 267.417 1.365 10 0 CDAERP CCC[NH2+]CCC[C@@H](C)[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061654954 519913360 /nfs/dbraw/zinc/91/33/60/519913360.db2.gz POUKWJYMIQRTOP-MRXNPFEDSA-N 3 0 284.492 1.334 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000061273481 520065691 /nfs/dbraw/zinc/06/56/91/520065691.db2.gz ZLQPRBHJNAQYAX-QWHCGFSZSA-N 2 0 255.406 1.221 10 0 CDAERP C[C@H](CCC[NH2+]C/C=C/Cl)NC(=O)C[NH+]1CCCC1 ZINC001485748880 1161284369 /nfs/dbraw/zinc/28/43/69/1161284369.db2.gz PRBYCGVBHJVEGZ-VUDGCMKMSA-N 2 0 287.835 1.709 10 0 CDAERP CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CC1CC1)[NH+](C)C ZINC001485944847 1161446658 /nfs/dbraw/zinc/44/66/58/1161446658.db2.gz RAAHXONFWBTQAO-DGCLKSJQSA-N 2 0 255.406 1.173 10 0 CDAERP CCC(CC)[C@H](CNC(=O)CCC[NH3+])[NH+]1CCCC1 ZINC000236688607 521617210 /nfs/dbraw/zinc/61/72/10/521617210.db2.gz OCSOKEUYEHHJBW-AWEZNQCLSA-N 2 0 269.433 1.742 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000055090245 521655350 /nfs/dbraw/zinc/65/53/50/521655350.db2.gz GXSYANBGTCOZPC-STQMWFEESA-N 2 0 255.406 1.304 10 0 CDAERP C[NH2+]Cc1ccc(CN2CC[NH+](C(C)(C)C)CC2)o1 ZINC000052571621 522116318 /nfs/dbraw/zinc/11/63/18/522116318.db2.gz TWXPGMZTMIMUCZ-UHFFFAOYSA-N 2 0 265.401 1.915 10 0 CDAERP C(C[NH2+][C@H]1CCN(C2CC2)C1)C[C@@H]1CCCC[NH2+]1 ZINC000050954007 518394138 /nfs/dbraw/zinc/39/41/38/518394138.db2.gz RYVWXKBRXBBPEG-KBPBESRZSA-N 2 0 251.418 1.735 10 0 CDAERP C([NH2+]C1CC1)[C@H]1CC[C@H](CN2CC[NH+](CC3CC3)CC2)O1 ZINC000052372526 518397755 /nfs/dbraw/zinc/39/77/55/518397755.db2.gz QGDBNZCFSTXVRF-IAGOWNOFSA-N 2 0 293.455 1.314 10 0 CDAERP CC(C)(C)[NH+]1CCN(C(=O)[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000061612788 518710208 /nfs/dbraw/zinc/71/02/08/518710208.db2.gz QVGGTLQPJIMSNI-HNNXBMFYSA-N 2 0 289.423 1.672 10 0 CDAERP CC(C)(C)[NH+]1CCN(CCC[C@@H]2CCC[NH2+]2)CC1 ZINC000052764424 518710346 /nfs/dbraw/zinc/71/03/46/518710346.db2.gz QLFOQPBAAUOEHJ-AWEZNQCLSA-N 2 0 253.434 1.935 10 0 CDAERP CC(C)(C)[NH2+]CC1(C[N@@H+]2CCC[C@@H]2CO)CCOCC1 ZINC000052183326 518752992 /nfs/dbraw/zinc/75/29/92/518752992.db2.gz DTEMYXCOEOSRMZ-CQSZACIVSA-N 2 0 284.444 1.628 10 0 CDAERP CC(C)[NH+]1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])[C@@H]2C)CC1 ZINC000055129223 519680678 /nfs/dbraw/zinc/68/06/78/519680678.db2.gz RJRQONUXELCVID-MCIONIFRSA-N 2 0 267.417 1.303 10 0 CDAERP CC(C)[NH+]1CCN(C[C@H]2CC[C@H](C[NH2+]C(C)(C)C)O2)CC1 ZINC000052480134 519682540 /nfs/dbraw/zinc/68/25/40/519682540.db2.gz OCUMEDCSCDHYDY-HZPDHXFCSA-N 2 0 297.487 1.948 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)[C@@H]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000055134731 519715838 /nfs/dbraw/zinc/71/58/38/519715838.db2.gz IRWVNYWOTOGFFY-ZNMIVQPWSA-N 2 0 283.460 1.796 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)C2CCOCC2)O1 ZINC000052481262 519723941 /nfs/dbraw/zinc/72/39/41/519723941.db2.gz LORJUFIWMOXZRM-LSDHHAIUSA-N 2 0 270.417 1.643 10 0 CDAERP CC(C)[NH2+]Cc1cc(CN2CCC[C@H]2C[NH+](C)C)on1 ZINC000061654430 519726002 /nfs/dbraw/zinc/72/60/02/519726002.db2.gz DGNOOZGKNNNCKU-AWEZNQCLSA-N 2 0 280.416 1.699 10 0 CDAERP CC(C)C[NH+]1CCN([C@@H](c2cccnc2)[C@@H](C)[NH3+])CC1 ZINC000055077462 519727536 /nfs/dbraw/zinc/72/75/36/519727536.db2.gz WSIBRQBSLXSQFG-GDBMZVCRSA-N 2 0 276.428 1.744 10 0 CDAERP CCC[NH+]1CCC(C[NH3+])(N2CCC[C@@H]2C[NH+](C)C)CC1 ZINC000061643040 519842090 /nfs/dbraw/zinc/84/20/90/519842090.db2.gz PRWBZWHLPHMLSC-OAHLLOKOSA-N 3 0 282.476 1.216 10 0 CDAERP CCC[NH2+]CC1CC[NH+](CCCC(=O)NC)CC1 ZINC000068847526 519911609 /nfs/dbraw/zinc/91/16/09/519911609.db2.gz RLKCOMBHOQWOKT-UHFFFAOYSA-N 2 0 255.406 1.224 10 0 CDAERP CC[NH2+]CCC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000061298367 519916357 /nfs/dbraw/zinc/91/63/57/519916357.db2.gz IWPYPTOHESDYCC-MRXNPFEDSA-N 2 0 289.423 1.939 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)[C@@H](C)COC)O1 ZINC000052511885 519925075 /nfs/dbraw/zinc/92/50/75/519925075.db2.gz SNEJUUGXEBLBDE-IHRRRGAJSA-N 2 0 258.406 1.500 10 0 CDAERP CCC[NH2+]C[C@@]1(C[N@@H+]2CCC[C@@H]2CCCO)CCOC1 ZINC000052763417 519929751 /nfs/dbraw/zinc/92/97/51/519929751.db2.gz XTUSPGHSNGFZBP-HZPDHXFCSA-N 2 0 284.444 1.630 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@H](CN2CC[NH+](C(C)C)CC2)O1 ZINC000052480118 519981830 /nfs/dbraw/zinc/98/18/30/519981830.db2.gz FPKREXYMYFQCEN-HUUCEWRRSA-N 2 0 269.433 1.170 10 0 CDAERP CC[NH2+]Cc1ccccc1CN1CC[NH+](CC)CC1 ZINC000052422535 520008833 /nfs/dbraw/zinc/00/88/33/520008833.db2.gz KDVUQVXQKPGKBN-UHFFFAOYSA-N 2 0 261.413 1.934 10 0 CDAERP CC[NH2+]Cc1cn(CC[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)nn1 ZINC000052482310 520013216 /nfs/dbraw/zinc/01/32/16/520013216.db2.gz MPAIFNQZDLUCLA-LSDHHAIUSA-N 2 0 291.443 1.900 10 0 CDAERP CCC[NH2+][C@@](C)(C[C@@H](C)N(C)C1CC[NH+](C)CC1)C(N)=O ZINC000068621245 520038447 /nfs/dbraw/zinc/03/84/47/520038447.db2.gz OCBZIEUCSCMPRP-CJNGLKHVSA-N 2 0 298.475 1.035 10 0 CDAERP CCC[NH2+][C@H](C)CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062979567 520061797 /nfs/dbraw/zinc/06/17/97/520061797.db2.gz SIAHEJLOECXPDD-CABCVRRESA-N 2 0 253.434 1.935 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000061270894 520170960 /nfs/dbraw/zinc/17/09/60/520170960.db2.gz XBMZJUPUGMXDFD-CYBMUJFWSA-N 2 0 293.411 1.954 10 0 CDAERP CCO[C@H](C[NH3+])CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000062740862 520515745 /nfs/dbraw/zinc/51/57/45/520515745.db2.gz NQBUZJMEABEVSV-KRWDZBQOSA-N 2 0 291.439 1.558 10 0 CDAERP CCCC[N@H+](CCO)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052182686 520523220 /nfs/dbraw/zinc/52/32/20/520523220.db2.gz ZGRAOQSYJFDWJF-UHFFFAOYSA-N 2 0 284.444 1.630 10 0 CDAERP CC[NH+](CC)CCCNS(=O)(=O)CCC[NH2+]C(C)C ZINC000049641718 520621547 /nfs/dbraw/zinc/62/15/47/520621547.db2.gz SJRKMAZPZJFXSB-UHFFFAOYSA-N 2 0 293.477 1.026 10 0 CDAERP CC[NH+](CC)CCNC(=O)[C@@H]1C[C@H]([NH3+])CC[C@@H]1C ZINC000055122994 520680986 /nfs/dbraw/zinc/68/09/86/520680986.db2.gz IYGWYDNJMQZANG-YNEHKIRRSA-N 2 0 255.406 1.208 10 0 CDAERP CC1CC[NH+](CCNC(=O)CC[C@@H]2CCCC[NH2+]2)CC1 ZINC000050949827 521011797 /nfs/dbraw/zinc/01/17/97/521011797.db2.gz FSEQRUQXMJKDBL-HNNXBMFYSA-N 2 0 281.444 1.757 10 0 CDAERP CC[NH+]1CCC(C[NH3+])(N2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000050563967 521549992 /nfs/dbraw/zinc/54/99/92/521549992.db2.gz QCBOLOLKDXUGBR-KGLIPLIRSA-N 2 0 253.434 1.920 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@H]2[NH2+]CCC[C@@H]2C)CC1 ZINC000051794760 521551097 /nfs/dbraw/zinc/55/10/97/521551097.db2.gz FPNBMGGWKLPNLS-JSGCOSHPSA-N 2 0 267.417 1.223 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@@H]2CC[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000055140082 521551946 /nfs/dbraw/zinc/55/19/46/521551946.db2.gz QNZHMSXNIFZEFA-AEGPPILISA-N 2 0 281.444 1.598 10 0 CDAERP CN(CC[NH+](C)C)c1cc(C(N)=[NH2+])c2ccccc2n1 ZINC000068798067 521747796 /nfs/dbraw/zinc/74/77/96/521747796.db2.gz BKPXAQAEVIEKNL-UHFFFAOYSA-N 2 0 271.368 1.517 10 0 CDAERP CN(CC[NH+](C)C)[C@H](C[NH3+])c1ccc2ncccc2c1 ZINC000069502834 521748799 /nfs/dbraw/zinc/74/87/99/521748799.db2.gz YALLICHSEZDYSO-MRXNPFEDSA-N 2 0 272.396 1.728 10 0 CDAERP C[NH+](C)CCN1CCN(C[C@](C)([NH3+])c2ccccc2)CC1 ZINC000061652522 521764738 /nfs/dbraw/zinc/76/47/38/521764738.db2.gz UIPNLYCYNFZJBI-KRWDZBQOSA-N 2 0 290.455 1.040 10 0 CDAERP C[NH+](C)CCN1CCN([C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000069267130 521768323 /nfs/dbraw/zinc/76/83/23/521768323.db2.gz JHJSPEORGZNQLE-KRWDZBQOSA-N 2 0 288.439 1.010 10 0 CDAERP COCC[C@@H]([NH3+])C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000052809148 521821284 /nfs/dbraw/zinc/82/12/84/521821284.db2.gz VZTGWZDJRDHFQT-CQSZACIVSA-N 2 0 285.432 1.121 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H](C[NH3+])Cc1ccccc1 ZINC000061644087 521863124 /nfs/dbraw/zinc/86/31/24/521863124.db2.gz GPLFMCOKSVZSQU-HZPDHXFCSA-N 2 0 289.423 1.357 10 0 CDAERP CN(C(=O)c1ccc(C[NH+](C)C)nc1)C1CC[NH+](C)CC1 ZINC000339228482 521892277 /nfs/dbraw/zinc/89/22/77/521892277.db2.gz DUOQEVSDYUPDRN-UHFFFAOYSA-N 2 0 290.411 1.309 10 0 CDAERP C[NH2+]C[C@H]1CC[C@H](C[N@@H+]2CCc3sccc3C2)O1 ZINC000052416587 522096897 /nfs/dbraw/zinc/09/68/97/522096897.db2.gz TWPABVDMZZUTKR-CHWSQXEVSA-N 2 0 266.410 1.873 10 0 CDAERP C[NH2+]Cc1cc(CN(C)C2CC[NH+](C)CC2)c(C)o1 ZINC000052419930 522103503 /nfs/dbraw/zinc/10/35/03/522103503.db2.gz RQJKGNADWMZSDV-UHFFFAOYSA-N 2 0 265.401 1.833 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C2(C[NH3+])CC[NH+](CC)CC2)CC1 ZINC000055064702 522118000 /nfs/dbraw/zinc/11/80/00/522118000.db2.gz HZPRETVRDDIUKV-OAHLLOKOSA-N 3 0 282.476 1.216 10 0 CDAERP C[NH2+]Cc1ccc(OCCN2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000061654441 522122167 /nfs/dbraw/zinc/12/21/67/522122167.db2.gz QCLCLKWYHTVDKD-MRXNPFEDSA-N 2 0 291.439 1.811 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(c2ccc(C[NH2+]C(C)C)nn2)CC1 ZINC000055073443 522134949 /nfs/dbraw/zinc/13/49/49/522134949.db2.gz NTVQVSLSLSDVAR-CQSZACIVSA-N 2 0 291.443 1.895 10 0 CDAERP CC[C@H]([NH3+])[C@H](N1CC[C@H]([NH+](C)C)C1)C(F)(F)F ZINC000062964235 522342872 /nfs/dbraw/zinc/34/28/72/522342872.db2.gz ZQFAHQLCWBTMJH-GUBZILKMSA-N 2 0 253.312 1.291 10 0 CDAERP C[NH2+][C@@H](CN1CC[N@H+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC000069073714 522354281 /nfs/dbraw/zinc/35/42/81/522354281.db2.gz YOHRUWNZEIKINY-DLBZAZTESA-N 2 0 273.424 1.973 10 0 CDAERP CC[C@@H](CC[NH3+])[NH+]1CCN(CCC[NH+]2CCCC2)CC1 ZINC000049332133 522497815 /nfs/dbraw/zinc/49/78/15/522497815.db2.gz SQEVOJFGZTYREV-INIZCTEOSA-N 3 0 282.476 1.217 10 0 CDAERP CC[C@@H](CC[NH3+])N1CC[NH+](CCOC(C)C)CC1 ZINC000049259264 522498171 /nfs/dbraw/zinc/49/81/71/522498171.db2.gz DPBRBBDGYOVJDS-AWEZNQCLSA-N 2 0 257.422 1.156 10 0 CDAERP CC[C@H]([NH2+]C)[C@H](C)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062979554 522557436 /nfs/dbraw/zinc/55/74/36/522557436.db2.gz VKFRETJORBWXSG-KKUMJFAQSA-N 2 0 253.434 1.933 10 0 CDAERP COC1CC[NH+](C[C@@H]2CC[C@H](C[NH2+]CC(C)C)O2)CC1 ZINC000052455450 522705381 /nfs/dbraw/zinc/70/53/81/522705381.db2.gz QXOWDIRXSZMRPJ-CVEARBPZSA-N 2 0 284.444 1.890 10 0 CDAERP C[N@H+](CCCCC[NH2+]C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000052482906 522730792 /nfs/dbraw/zinc/73/07/92/522730792.db2.gz XLFFXALYPYNIQG-CYBMUJFWSA-N 2 0 290.473 1.664 10 0 CDAERP COCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1C[NH3+] ZINC000062029670 523232276 /nfs/dbraw/zinc/23/22/76/523232276.db2.gz FXRHNFZOKWLGMS-LBPRGKRZSA-N 2 0 279.384 1.441 10 0 CDAERP CCn1ccnc1N1CCC[N@H+](CCCC[NH3+])CC1 ZINC000050607925 523547894 /nfs/dbraw/zinc/54/78/94/523547894.db2.gz COBSXWCIRRNEHQ-UHFFFAOYSA-N 2 0 265.405 1.154 10 0 CDAERP COCC[N@H+](CC1(C[NH3+])CCOCC1)[C@@H](C)C1CC1 ZINC000052183373 523688400 /nfs/dbraw/zinc/68/84/00/523688400.db2.gz ZYBRJEBUUQVWIB-ZDUSSCGKSA-N 2 0 270.417 1.489 10 0 CDAERP COCC[NH2+]Cc1cc2c(cc1OCC[NH+](C)C)OCO2 ZINC000062733974 523951814 /nfs/dbraw/zinc/95/18/14/523951814.db2.gz BQOYRSDZUGTBGU-UHFFFAOYSA-N 2 0 296.367 1.092 10 0 CDAERP CC[C@H](C)[NH+]1CCN(CC[NH2+][C@H](C)C2CC2)CC1 ZINC000055075072 523954149 /nfs/dbraw/zinc/95/41/49/523954149.db2.gz RMLCYROUYIEXGE-UONOGXRCSA-N 2 0 253.434 1.791 10 0 CDAERP CC[C@H](C)[NH+]1CCN(Cc2csc(C[NH3+])n2)CC1 ZINC000055074200 523956584 /nfs/dbraw/zinc/95/65/84/523956584.db2.gz RUQSATCZGXEZFI-NSHDSACASA-N 2 0 268.430 1.518 10 0 CDAERP C[N@@H+]1CC[C@@H](C[NH2+]CCCOCC(F)(F)F)C1 ZINC000049312355 523962805 /nfs/dbraw/zinc/96/28/05/523962805.db2.gz YSWQQCUCYUDYKA-JTQLQIEISA-N 2 0 254.296 1.497 10 0 CDAERP C[NH+](C)C(C)(C)CNC(=O)CC1CCC([NH3+])CC1 ZINC000055141699 524032536 /nfs/dbraw/zinc/03/25/36/524032536.db2.gz PEEZMKMODYUNNA-UHFFFAOYSA-N 2 0 255.406 1.350 10 0 CDAERP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1CCC[C@H](C[NH3+])C1 ZINC000055163271 524033038 /nfs/dbraw/zinc/03/30/38/524033038.db2.gz JPMGDMRAVYCLGI-NWDGAFQWSA-N 2 0 255.406 1.208 10 0 CDAERP C[NH+](C)CCC[NH2+]CCSc1nnc2ccccn21 ZINC000061408902 524057017 /nfs/dbraw/zinc/05/70/17/524057017.db2.gz IQMAQLHEOFSIOL-UHFFFAOYSA-N 2 0 279.413 1.363 10 0 CDAERP CNC(=O)CCC[N@H+](CCC[NH3+])C1CCCCCC1 ZINC000068817128 524063136 /nfs/dbraw/zinc/06/31/36/524063136.db2.gz IBUVRRRIEPPDIU-UHFFFAOYSA-N 2 0 269.433 1.886 10 0 CDAERP Cc1ccc(C)c(C[NH+]2CCN(CCC[NH3+])CC2)c1 ZINC000049256657 524101158 /nfs/dbraw/zinc/10/11/58/524101158.db2.gz HDJDMFVWAVOJLX-UHFFFAOYSA-N 2 0 261.413 1.770 10 0 CDAERP C[C@H]1CCC[C@@H](C(=O)N2CCC[C@@H]2C[NH+](C)C)[C@@H]1[NH3+] ZINC000061656197 524127386 /nfs/dbraw/zinc/12/73/86/524127386.db2.gz BUYFAHHGJGBDGA-REWJHTLYSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)CC1CCC([NH3+])CC1 ZINC000055140845 524154777 /nfs/dbraw/zinc/15/47/77/524154777.db2.gz ASPVYWSECKDWJG-PNESKVBLSA-N 2 0 255.406 1.350 10 0 CDAERP COc1cccc([C@H](C[NH3+])N2CCC[C@@H]2C[NH+](C)C)c1 ZINC000061641952 524159337 /nfs/dbraw/zinc/15/93/37/524159337.db2.gz ZNNYMWGZSNZGOB-ZBFHGGJFSA-N 2 0 277.412 1.721 10 0 CDAERP C[C@H](CC[NH+](C)C)[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000049557268 524161467 /nfs/dbraw/zinc/16/14/67/524161467.db2.gz VLCJWAGYIFWQSU-BXUZGUMPSA-N 2 0 254.349 1.789 10 0 CDAERP C[C@H]1CC[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2C)C[C@@H]1[NH3+] ZINC000055138625 524334765 /nfs/dbraw/zinc/33/47/65/524334765.db2.gz LCNOIMYVPMIEPW-CRWXNKLISA-N 2 0 267.417 1.350 10 0 CDAERP C[C@@H]1CCC[C@H]([N@H+](C)CCn2cc(C[NH3+])nn2)C1 ZINC000052513838 524389373 /nfs/dbraw/zinc/38/93/73/524389373.db2.gz ASUGNTSFONEILD-YPMHNXCESA-N 2 0 251.378 1.247 10 0 CDAERP C[C@@H]1CN([C@@H](C[NH3+])c2cccc3cccnc32)CC[N@@H+]1C ZINC000069502807 525056916 /nfs/dbraw/zinc/05/69/16/525056916.db2.gz XPJYTFAMCJBDSD-CJNGLKHVSA-N 2 0 284.407 1.871 10 0 CDAERP C[C@@H]1C[C@H](C(=O)NCC[NH+]2CCCCC2)CC[C@@H]1[NH3+] ZINC000055138340 525360210 /nfs/dbraw/zinc/36/02/10/525360210.db2.gz BOBSJNAANPZCBD-MCIONIFRSA-N 2 0 267.417 1.352 10 0 CDAERP Cc1ccc(C(N)=[NH2+])c(N2CC[NH+](CC(C)C)CC2)n1 ZINC000055079665 526013148 /nfs/dbraw/zinc/01/31/48/526013148.db2.gz CGGBHWDDFONAEC-UHFFFAOYSA-N 2 0 275.400 1.452 10 0 CDAERP C[C@@H]1CCC(=O)[C@H](C[NH+]2CCN(CC[NH+](C)C)CC2)C1 ZINC000061653419 526238858 /nfs/dbraw/zinc/23/88/58/526238858.db2.gz UKJFHXFOXARFGV-CABCVRRESA-N 2 0 281.444 1.171 10 0 CDAERP C[NH2+]CCC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000262605244 536444270 /nfs/dbraw/zinc/44/42/70/536444270.db2.gz YDNNSZZXOOEGOF-UHFFFAOYSA-N 2 0 289.423 1.898 10 0 CDAERP O=C(NCc1ccc2c(c1)C[NH2+]C2)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000188680549 526695773 /nfs/dbraw/zinc/69/57/73/526695773.db2.gz KLRPXOIGCACGGG-COXVUDFISA-N 2 0 299.418 1.827 10 0 CDAERP [NH3+]CC[C@H](c1ccccc1)N1CC[NH+](C2CC2)CC1 ZINC000055016664 527193229 /nfs/dbraw/zinc/19/32/29/527193229.db2.gz GHQLVCZFNWNBJO-MRXNPFEDSA-N 2 0 259.397 1.857 10 0 CDAERP OC[C@H]1CCC[N@H+](CC2(C[NH2+]C3CC3)CCOCC2)C1 ZINC000052180492 527615733 /nfs/dbraw/zinc/61/57/33/527615733.db2.gz BGGXIGKLBCIUHL-AWEZNQCLSA-N 2 0 282.428 1.240 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)[C@H](C)[NH3+])C1 ZINC000418705954 535256755 /nfs/dbraw/zinc/25/67/55/535256755.db2.gz SCBQHECMCZHMRJ-AVGNSLFASA-N 2 0 270.421 1.095 10 0 CDAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CC[C@@H]2SC)CC1 ZINC000425357941 535719140 /nfs/dbraw/zinc/71/91/40/535719140.db2.gz QLZYJENYXGFGAQ-KFWWJZLASA-N 2 0 285.501 1.744 10 0 CDAERP CCOc1ccc(C[NH2+][C@H](CCC[NH3+])COC)cc1 ZINC000422898140 535726236 /nfs/dbraw/zinc/72/62/36/535726236.db2.gz DJELGWNWKYXFRW-CQSZACIVSA-N 2 0 266.385 1.929 10 0 CDAERP CC[C@H]([NH3+])C(=O)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186566543 536138525 /nfs/dbraw/zinc/13/85/25/536138525.db2.gz FPEHTAFYJFEZQA-CABCVRRESA-N 2 0 290.411 1.290 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCc1nc(C)c(C)s1 ZINC000422888624 536850223 /nfs/dbraw/zinc/85/02/23/536850223.db2.gz DFNYBROCVLQNJM-LBPRGKRZSA-N 2 0 271.430 1.646 10 0 CDAERP [NH3+]C1(CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CCCC1 ZINC000662865709 545498154 /nfs/dbraw/zinc/49/81/54/545498154.db2.gz ZUHYBSGUOGRQSK-UPJWGTAASA-N 2 0 265.401 1.295 10 0 CDAERP CC(C)[C@@H](C[NH3+])CCNc1ccnn1C1C[NH2+]C1 ZINC000725258341 567916031 /nfs/dbraw/zinc/91/60/31/567916031.db2.gz PGFJUMQYAFFAOV-LLVKDONJSA-N 2 0 251.378 1.060 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)CC[C@H](C)F ZINC001689969643 1175326467 /nfs/dbraw/zinc/32/64/67/1175326467.db2.gz MNMWKVQNDGAWGU-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001690192419 1175399398 /nfs/dbraw/zinc/39/93/98/1175399398.db2.gz OGYDUUGLTAFVKN-AWEZNQCLSA-N 2 0 269.433 1.519 10 0 CDAERP C[NH+](C)[C@]1(CN[C@@H]2CC[NH2+]C23CCC3)CCSC1 ZINC000925532776 617466615 /nfs/dbraw/zinc/46/66/15/617466615.db2.gz YHMHWZPSDPDNPY-OLZOCXBDSA-N 2 0 269.458 1.298 10 0 CDAERP OC[C@@H]1COc2ccccc2[C@@H]1[NH2+]CCn1ccnc1 ZINC000934214695 617490965 /nfs/dbraw/zinc/49/09/65/617490965.db2.gz SMUJQOZFHVLGBZ-IUODEOHRSA-N 2 0 273.336 1.215 10 0 CDAERP O[C@]1(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CCSC1 ZINC000925623451 617571168 /nfs/dbraw/zinc/57/11/68/617571168.db2.gz RHHOKYRPHPQNOQ-ZNMIVQPWSA-N 2 0 284.469 1.612 10 0 CDAERP COCC1(C[NH2+][C@@H]2CC[NH2+]C23CCC3)CCOCC1 ZINC000925672972 617633042 /nfs/dbraw/zinc/63/30/42/617633042.db2.gz LDDQVNMCFNRIAM-CYBMUJFWSA-N 2 0 268.401 1.304 10 0 CDAERP COC(=O)c1cc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])n(C)c1C ZINC000925771246 617636474 /nfs/dbraw/zinc/63/64/74/617636474.db2.gz ZAAJDDVAKHLALB-FZMZJTMJSA-N 2 0 279.384 1.337 10 0 CDAERP C[NH+]1CCC[C@@H]1CCN1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000931312560 617704842 /nfs/dbraw/zinc/70/48/42/617704842.db2.gz UGBUQGDDPNUUJJ-OAGGEKHMSA-N 2 0 265.445 1.744 10 0 CDAERP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925794949 617722808 /nfs/dbraw/zinc/72/28/08/617722808.db2.gz MUADPFBHMQRLHT-MUIFIZLQSA-N 3 0 275.440 1.780 10 0 CDAERP CSCC1CCC([NH2+]CCN2CCC([NH3+])CC2)CC1 ZINC000925817729 617773031 /nfs/dbraw/zinc/77/30/31/617773031.db2.gz WEFWMVWSZVMGTD-UHFFFAOYSA-N 2 0 285.501 1.921 10 0 CDAERP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC000925826361 617818688 /nfs/dbraw/zinc/81/86/88/617818688.db2.gz NJMXUVAXLWZRJU-KGLIPLIRSA-N 2 0 282.428 1.415 10 0 CDAERP CC1(C)[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925714156 617823310 /nfs/dbraw/zinc/82/33/10/617823310.db2.gz WBLHLFNMGLZGEN-TVQXOTEMSA-N 2 0 250.386 1.673 10 0 CDAERP [NH3+]CC1(c2nc(-c3ccn4c[nH+]cc4c3)no2)CC1 ZINC000843227365 617825082 /nfs/dbraw/zinc/82/50/82/617825082.db2.gz ZRNFPZHBKAJRBW-UHFFFAOYSA-N 2 0 255.281 1.375 10 0 CDAERP CNC(=O)CC1(C[NH2+][C@H]2CC[NH2+]C23CCC3)CCCCC1 ZINC000925718209 617839020 /nfs/dbraw/zinc/83/90/20/617839020.db2.gz YFFORBKTGHUUTK-AWEZNQCLSA-N 2 0 293.455 1.947 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)O1)C1C[NH2+]C1 ZINC000925831281 617851427 /nfs/dbraw/zinc/85/14/27/617851427.db2.gz DCDWGGQTRTWKRK-INTQDDNPSA-N 2 0 266.307 1.684 10 0 CDAERP C[C@@H](NC[C@]12CCC[C@H]1[NH2+]CC2)[C@H]1CCCC[NH2+]1 ZINC000925838788 617869619 /nfs/dbraw/zinc/86/96/19/617869619.db2.gz OCDHYTPUCRZBAS-KBUPBQIOSA-N 2 0 251.418 1.639 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[NH2+]C2CCN(Cc3ccccn3)CC2)C1 ZINC000925875668 617946931 /nfs/dbraw/zinc/94/69/31/617946931.db2.gz LPBRWVBOHQDZDQ-LSDHHAIUSA-N 2 0 288.439 1.763 10 0 CDAERP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H]2CN3C[C@@H]2CCC3)C1 ZINC000926574105 618098275 /nfs/dbraw/zinc/09/82/75/618098275.db2.gz SBYFLFGXYVZUMC-SOUVJXGZSA-N 2 0 251.418 1.402 10 0 CDAERP CCOC[C@H](O)C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000923416462 618327826 /nfs/dbraw/zinc/32/78/26/618327826.db2.gz WUSBMRQMWAQGSW-TZMCWYRMSA-N 2 0 258.406 1.081 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@@H](C)C[C@@H]2CCC(=O)N2)CC1 ZINC000924956415 618398768 /nfs/dbraw/zinc/39/87/68/618398768.db2.gz WDINIWWIUPKSNI-ZFWWWQNUSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000924995149 618569246 /nfs/dbraw/zinc/56/92/46/618569246.db2.gz XRQYXVMHCDGVKN-FFHGMXDLSA-N 2 0 283.485 1.639 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C1CCC1)[C@@H]1CCOC1 ZINC000924995415 618571257 /nfs/dbraw/zinc/57/12/57/618571257.db2.gz YYWCAEGIUUJFNZ-DJIMGWMZSA-N 2 0 295.471 1.417 10 0 CDAERP C[C@@H]1[C@H](NC(=O)[C@H](c2ccccc2)N(C)C)CC[N@@H+]1C ZINC000928440940 619085913 /nfs/dbraw/zinc/08/59/13/619085913.db2.gz OFNXZFHFQMVAPC-YUELXQCFSA-N 2 0 275.396 1.498 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C)[NH+]1CCCCC1 ZINC000928444176 619090591 /nfs/dbraw/zinc/09/05/91/619090591.db2.gz JRIOHSAMMIAKJS-QLFBSQMISA-N 2 0 281.444 1.706 10 0 CDAERP Cc1ncoc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000895227778 619470278 /nfs/dbraw/zinc/47/02/78/619470278.db2.gz ZVGPYVGFFWNTKE-UHFFFAOYSA-N 2 0 293.411 1.964 10 0 CDAERP C[C@H]1CN(Cc2cncnc2)CCN1c1cc[nH+]cc1 ZINC000895558436 619726322 /nfs/dbraw/zinc/72/63/22/619726322.db2.gz WWHQQIKYYGHFBF-ZDUSSCGKSA-N 2 0 269.352 1.582 10 0 CDAERP CON(C)C(=O)CC[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000788019248 620421679 /nfs/dbraw/zinc/42/16/79/620421679.db2.gz JUPZFFHDAYQOEG-CYBMUJFWSA-N 2 0 271.405 1.203 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+]C1[C@@H](C)COC[C@@H]1C ZINC000925241216 620610227 /nfs/dbraw/zinc/61/02/27/620610227.db2.gz NTTCUPJBIJWGCY-MELADBBJSA-N 2 0 272.433 1.604 10 0 CDAERP CCO[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)C[NH+](C)C ZINC000926964237 621634792 /nfs/dbraw/zinc/63/47/92/621634792.db2.gz WSUSXNVBBFPHDS-QKPAOTATSA-N 2 0 283.460 1.416 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C12CCC2 ZINC000898825889 621888926 /nfs/dbraw/zinc/88/89/26/621888926.db2.gz LJFSJSZGBPRDME-XQQFMLRXSA-N 2 0 265.401 1.070 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])N[C@@H](C)C2CC2)C1 ZINC000899265296 622129273 /nfs/dbraw/zinc/12/92/73/622129273.db2.gz XFDYSNKJZDVUIM-RYUDHWBXSA-N 2 0 252.406 1.631 10 0 CDAERP c1c([C@H]2CCCC[NH2+]2)nnn1C[C@@H]1CCCC[NH2+]C1 ZINC000899742014 622402527 /nfs/dbraw/zinc/40/25/27/622402527.db2.gz RJFMXVJEIZTYDJ-CHWSQXEVSA-N 2 0 263.389 1.482 10 0 CDAERP CCC[NH+](CCC)CCCNC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900550432 623192051 /nfs/dbraw/zinc/19/20/51/623192051.db2.gz YUHSSHAUQKLLMQ-GOEBONIOSA-N 2 0 299.459 1.070 10 0 CDAERP O=C(NCCN1CCSCC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000900674776 623361714 /nfs/dbraw/zinc/36/17/14/623361714.db2.gz ZTUZBUUYWIJKBY-KBPBESRZSA-N 2 0 297.468 1.168 10 0 CDAERP C[N@@H+]1C[C@@H]2CN(C(=O)CC[C@H]3CCCC[NH+]3C)C[C@]2(C)C1 ZINC000900751944 623412915 /nfs/dbraw/zinc/41/29/15/623412915.db2.gz VOOSFCAPIAHBIN-INMHGKMJSA-N 2 0 293.455 1.661 10 0 CDAERP CC[C@H](C[NH+]1CCCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC000900732776 623428766 /nfs/dbraw/zinc/42/87/66/623428766.db2.gz ZXXVIANHEYKCFF-CYBMUJFWSA-N 2 0 265.401 1.073 10 0 CDAERP CC(=O)N1CC[C@@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c2ccccc2C1 ZINC000902470414 624863050 /nfs/dbraw/zinc/86/30/50/624863050.db2.gz WTYUBTHKJAIUON-DZOHQFGASA-N 2 0 299.418 1.962 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)CCOc1ccc(F)cc1 ZINC000903430004 625989269 /nfs/dbraw/zinc/98/92/69/625989269.db2.gz MZLGATXFRDETOL-OLZOCXBDSA-N 2 0 266.360 1.992 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)[C@@H](CCO)c1ccccc1 ZINC000903437455 625991841 /nfs/dbraw/zinc/99/18/41/625991841.db2.gz ITWJXXKSRUSBHU-KBMXLJTQSA-N 2 0 262.397 1.897 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000903441276 625992915 /nfs/dbraw/zinc/99/29/15/625992915.db2.gz KWWZHVASKFKTJJ-ILXRZTDVSA-N 2 0 299.422 1.764 10 0 CDAERP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cn1 ZINC000903463648 625996518 /nfs/dbraw/zinc/99/65/18/625996518.db2.gz HTYVYYJYPXMYFV-OEAJRASXSA-N 2 0 276.428 1.848 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)C1 ZINC000903442446 625997270 /nfs/dbraw/zinc/99/72/70/625997270.db2.gz QXSKINVNKMEGLO-ARFHVFGLSA-N 2 0 281.444 1.301 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000903444923 625998662 /nfs/dbraw/zinc/99/86/62/625998662.db2.gz FHBCCJKWZWDTLF-JKSUJKDBSA-N 3 0 295.471 1.691 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C[C@@H]2C[NH2+]C[C@H]2C)[C@H](C)C1 ZINC000903445008 625998797 /nfs/dbraw/zinc/99/87/97/625998797.db2.gz WSUPJHVZTYJZSL-APIJFGDWSA-N 2 0 253.434 1.504 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CCN(c2ccc(F)cc2F)CC1 ZINC000903476022 626005061 /nfs/dbraw/zinc/00/50/61/626005061.db2.gz KZYMOGRIPNPNDK-OLZOCXBDSA-N 2 0 295.377 1.942 10 0 CDAERP CCOC(=O)[C@@]1(F)C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H]1CC ZINC000903481825 626006112 /nfs/dbraw/zinc/00/61/12/626006112.db2.gz NTSNFEKAJPOKHV-UKTARXLSSA-N 2 0 286.391 1.727 10 0 CDAERP Cc1nc([C@@H]2CC[N@H+](CCC3CC[NH2+]CC3)C2)no1 ZINC000903490808 626010559 /nfs/dbraw/zinc/01/05/59/626010559.db2.gz IZPWXOMUSFOSJR-CYBMUJFWSA-N 2 0 264.373 1.557 10 0 CDAERP C[C@@H]1C[N@H+](CCC(=O)NCC2CCCCC2)C[C@H]1CC[NH3+] ZINC000903496900 626012256 /nfs/dbraw/zinc/01/22/56/626012256.db2.gz JHWPZDLVJDQWRB-GDBMZVCRSA-N 2 0 295.471 1.990 10 0 CDAERP C([C@H]1CCCC[NH2+]C1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000903740524 626079381 /nfs/dbraw/zinc/07/93/81/626079381.db2.gz INUJYLZEFRQVMF-HRCADAONSA-N 3 0 265.445 1.840 10 0 CDAERP C([C@H]1CCCC[NH2+]C1)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903785201 626093646 /nfs/dbraw/zinc/09/36/46/626093646.db2.gz WIBWCPOLWXHETJ-JKSUJKDBSA-N 2 0 265.445 1.842 10 0 CDAERP CCC[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)CC1CC1 ZINC000903873334 626127255 /nfs/dbraw/zinc/12/72/55/626127255.db2.gz HDSKMLNQECOQMX-CQSZACIVSA-N 2 0 277.416 1.825 10 0 CDAERP CC[N@H+](C[C@@H](O)C(F)(F)F)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903911129 626144291 /nfs/dbraw/zinc/14/42/91/626144291.db2.gz XLUGIBNPVCTATP-FGNRJIRKSA-N 2 0 280.334 1.762 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCSC[C@@H](C)C2)cnn1C ZINC000903913107 626145233 /nfs/dbraw/zinc/14/52/33/626145233.db2.gz MOQRNLDZARGPIU-GXTWGEPZSA-N 2 0 296.484 1.531 10 0 CDAERP [NH3+]C[C@H]1c2ccccc2CCN1C[C@@H]([NH3+])CC(F)F ZINC000903931577 626151725 /nfs/dbraw/zinc/15/17/25/626151725.db2.gz FQQUWNYWSJCYDQ-AAEUAGOBSA-N 2 0 269.339 1.527 10 0 CDAERP Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903932599 626152067 /nfs/dbraw/zinc/15/20/67/626152067.db2.gz SPMVLJZMRWWZEL-KOLCDFICSA-N 2 0 285.338 1.335 10 0 CDAERP [NH3+][C@H](CNc1ccc([C@@H]2C[NH2+]CCO2)cc1)CC(F)F ZINC000903933805 626152807 /nfs/dbraw/zinc/15/28/07/626152807.db2.gz VXFVPDSZVSZCLZ-AAEUAGOBSA-N 2 0 285.338 1.742 10 0 CDAERP C[C@@H]1C[C@@H](C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)CC[NH2+]1 ZINC000903958252 626158263 /nfs/dbraw/zinc/15/82/63/626158263.db2.gz XVWQZIVPFXZLRQ-WOPDTQHZSA-N 3 0 261.360 1.209 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1ccc2c(c1)ncn2C ZINC000903975130 626169601 /nfs/dbraw/zinc/16/96/01/626169601.db2.gz XSWLDBAWIZDTPZ-TZMCWYRMSA-N 2 0 272.396 1.909 10 0 CDAERP COC(=O)C(C)(C)CC[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903978617 626169879 /nfs/dbraw/zinc/16/98/79/626169879.db2.gz HWOZJGLPAXIFLB-VXGBXAGGSA-N 2 0 256.390 1.411 10 0 CDAERP COC[C@@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903980038 626170234 /nfs/dbraw/zinc/17/02/34/626170234.db2.gz DNGLXZHKUCSMCF-CWRNSKLLSA-N 2 0 281.444 1.170 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000903967476 626172248 /nfs/dbraw/zinc/17/22/48/626172248.db2.gz JSOCNRBVVXWPQI-XLWJZTARSA-N 3 0 251.418 1.352 10 0 CDAERP CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]21 ZINC000903987043 626174552 /nfs/dbraw/zinc/17/45/52/626174552.db2.gz XICHYWHKFRNTAC-GGHSCCHESA-N 2 0 292.423 1.648 10 0 CDAERP c1ccc2c(c1)OCC[C@@H]2CN1CC[NH2+]CC[NH2+]CC1 ZINC000904396541 626273888 /nfs/dbraw/zinc/27/38/88/626273888.db2.gz KFOMIPZOBAXNHE-CQSZACIVSA-N 2 0 275.396 1.048 10 0 CDAERP [NH2+]=C(NCC[NH+]1CCCCCC1)NC[C@H]1CCCS1 ZINC000905041343 626380381 /nfs/dbraw/zinc/38/03/81/626380381.db2.gz HPEONEYSRXFPML-CYBMUJFWSA-N 2 0 284.473 1.872 10 0 CDAERP CC[C@H](CNC(=[NH2+])NC[C@H]1CCCS1)[NH+]1CCCC1 ZINC000905041534 626380905 /nfs/dbraw/zinc/38/09/05/626380905.db2.gz JRXBVXFIAVGAMK-CHWSQXEVSA-N 2 0 284.473 1.870 10 0 CDAERP CC(C)(C)[NH2+]CCCNC(=[NH2+])NC[C@H]1CCCS1 ZINC000905043807 626382965 /nfs/dbraw/zinc/38/29/65/626382965.db2.gz YTYHAEBAJXTHQN-LLVKDONJSA-N 2 0 272.462 1.774 10 0 CDAERP CC(C)C[C@@H]([NH3+])C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000906078953 627119056 /nfs/dbraw/zinc/11/90/56/627119056.db2.gz YESMUZQAAKVMJK-BFHYXJOUSA-N 2 0 267.417 1.350 10 0 CDAERP CCCN(CCC[NH+](C)C)C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000907657163 627768066 /nfs/dbraw/zinc/76/80/66/627768066.db2.gz CNQYHDFTOIANQY-INIZCTEOSA-N 2 0 299.459 1.024 10 0 CDAERP CC1(C)CCC[N@H+](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000907778892 627831847 /nfs/dbraw/zinc/83/18/47/627831847.db2.gz RUJHVLQRJJHCFO-UHFFFAOYSA-N 2 0 279.428 1.320 10 0 CDAERP C/C(Cl)=C\C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000912304008 629913984 /nfs/dbraw/zinc/91/39/84/629913984.db2.gz NYVJGEAQIKBPFF-ZKQHCESOSA-N 2 0 275.824 1.517 10 0 CDAERP C[N@H+](CC(=O)N1CCC([NH+]2CCC2)CC1)[C@@H]1CCSC1 ZINC000912876910 630261752 /nfs/dbraw/zinc/26/17/52/630261752.db2.gz QZGMPCPWPISDRA-CQSZACIVSA-N 2 0 297.468 1.120 10 0 CDAERP CC(C)[C@@H](C(=O)N1CC[C@@H]([NH+]2CCC2)C1)[NH+]1CCCCC1 ZINC000912918577 630287614 /nfs/dbraw/zinc/28/76/14/630287614.db2.gz GFGHIRAWFGHKJT-CVEARBPZSA-N 2 0 293.455 1.804 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC000913334320 630447040 /nfs/dbraw/zinc/44/70/40/630447040.db2.gz LCSHCQVAGKMKCU-HZSPNIEDSA-N 2 0 265.401 1.214 10 0 CDAERP O[C@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)C1(O)CCCC1 ZINC000929719032 630712148 /nfs/dbraw/zinc/71/21/48/630712148.db2.gz LSIGGILFFHKGDF-JKSUJKDBSA-N 2 0 296.455 1.460 10 0 CDAERP O=C(NC12CC[NH+](CC1)C2)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000913631289 630715878 /nfs/dbraw/zinc/71/58/78/630715878.db2.gz ODJSELVQRFBWRH-CQSZACIVSA-N 2 0 277.412 1.358 10 0 CDAERP C[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+]1CCCCC1 ZINC000914294308 631324176 /nfs/dbraw/zinc/32/41/76/631324176.db2.gz XQFYJRUKODTZQL-MGPQQGTHSA-N 2 0 282.432 1.253 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=S)NCCC[NH+](C)C ZINC000916001752 631883866 /nfs/dbraw/zinc/88/38/66/631883866.db2.gz DLUXKDJXSYCALY-CYBMUJFWSA-N 2 0 286.489 1.277 10 0 CDAERP C[C@@H]1[C@H](NC(=O)NC(C)(C)C[NH+]2CCCC2)CC[N@@H+]1C ZINC000925334209 632873199 /nfs/dbraw/zinc/87/31/99/632873199.db2.gz AYTZTCANNATXHW-CHWSQXEVSA-N 2 0 282.432 1.253 10 0 CDAERP CC(C)=CC[N@@H+](C)CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001667580639 1158800182 /nfs/dbraw/zinc/80/01/82/1158800182.db2.gz MOIYDEFRNBVEKQ-UHFFFAOYSA-N 2 0 281.444 1.827 10 0 CDAERP CC(C)[N@H+](CCCNC(=O)C[NH+]1CCCC1)CC1CC1 ZINC001691763287 1158977553 /nfs/dbraw/zinc/97/75/53/1158977553.db2.gz MLBWEFXXFICBFN-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@@H](C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C)OC ZINC001691316819 1159014380 /nfs/dbraw/zinc/01/43/80/1159014380.db2.gz CZFQYRNVCUCLJA-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]CC2=CCCCC2)CC[N@@H+]1C ZINC001691324592 1159017996 /nfs/dbraw/zinc/01/79/96/1159017996.db2.gz NANHZIOHYTWAEI-GDBMZVCRSA-N 2 0 293.455 1.875 10 0 CDAERP C[NH+](C)C1(C(=O)N2CC[C@H](C[NH2+]C/C=C/Cl)C2)CCC1 ZINC001267045815 1159096856 /nfs/dbraw/zinc/09/68/56/1159096856.db2.gz UIYZZQFRDNQVKG-FLUIGGAXSA-N 2 0 299.846 1.661 10 0 CDAERP O=C(NC[C@H]1C[C@@H]([NH2+]CCCF)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001691440696 1159213652 /nfs/dbraw/zinc/21/36/52/1159213652.db2.gz PUNYLAZYYPFHDM-CFVMTHIKSA-N 2 0 297.418 1.172 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1)[NH+](C)C ZINC000251092521 1159728822 /nfs/dbraw/zinc/72/88/22/1159728822.db2.gz KKRIBYVZWOJFAY-MQYQWHSLSA-N 2 0 267.417 1.364 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC(C)(C)[NH+](C)C)C1 ZINC001618046228 1165618461 /nfs/dbraw/zinc/61/84/61/1165618461.db2.gz SOJGJICXIRJJAA-OLZOCXBDSA-N 2 0 269.433 1.563 10 0 CDAERP COCC1(C[N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)CCC1 ZINC001620628183 1165662434 /nfs/dbraw/zinc/66/24/34/1165662434.db2.gz FXCUIOKBLWGHAI-KGLIPLIRSA-N 2 0 252.402 1.687 10 0 CDAERP CC[NH+](CC)CCOCCNC(=O)C1([NH+](C)C)CCCC1 ZINC001633643296 1166439889 /nfs/dbraw/zinc/43/98/89/1166439889.db2.gz DODIKFSIHRYQCK-UHFFFAOYSA-N 2 0 299.459 1.335 10 0 CDAERP CCOCC[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001567589833 1168064506 /nfs/dbraw/zinc/06/45/06/1168064506.db2.gz PIEZWNZRKOSTCX-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP CC[NH+](CC)CC[C@@H](C)NC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC001647011855 1168346961 /nfs/dbraw/zinc/34/69/61/1168346961.db2.gz GUGVQVJPQZGJCJ-GDBMZVCRSA-N 2 0 299.459 1.070 10 0 CDAERP CC(C)[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001567059229 1168538387 /nfs/dbraw/zinc/53/83/87/1168538387.db2.gz JJZTYJUMYHYSAP-UONOGXRCSA-N 2 0 269.433 1.752 10 0 CDAERP CCC/C=C\CC[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001567274763 1168651126 /nfs/dbraw/zinc/65/11/26/1168651126.db2.gz IZBLFFFUVXIRBU-XHPSBEMXSA-N 2 0 281.444 1.875 10 0 CDAERP C[C@H]1CN(C(=O)C[NH2+]C(C)(C)C)CCN1c1cc[nH+]cc1 ZINC001647426556 1168679875 /nfs/dbraw/zinc/67/98/75/1168679875.db2.gz FFPBOHULFOTFSK-ZDUSSCGKSA-N 2 0 290.411 1.507 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NCCCCc2cc[nH+]c(N)c2)C1 ZINC001648331967 1169122218 /nfs/dbraw/zinc/12/22/18/1169122218.db2.gz ZSZSGWJTFHWFJN-AWEZNQCLSA-N 2 0 290.411 1.445 10 0 CDAERP COCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CCCC1 ZINC001568238081 1169194109 /nfs/dbraw/zinc/19/41/09/1169194109.db2.gz UWMJWZBDQDRNRT-AWEZNQCLSA-N 2 0 297.443 1.136 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCF ZINC001568282274 1169221610 /nfs/dbraw/zinc/22/16/10/1169221610.db2.gz GMBDTYHTSZCCEN-KBPBESRZSA-N 2 0 287.423 1.513 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C1CCCCC1 ZINC001568345595 1169254295 /nfs/dbraw/zinc/25/42/95/1169254295.db2.gz MXNWJYSEVQDMPB-AWEZNQCLSA-N 2 0 269.433 1.613 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001569374605 1169825837 /nfs/dbraw/zinc/82/58/37/1169825837.db2.gz MVUHZENAWOBIFZ-KSLSASGISA-N 2 0 293.455 1.875 10 0 CDAERP COCC[NH2+]CC(C)(C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001570682773 1170230833 /nfs/dbraw/zinc/23/08/33/1170230833.db2.gz CJNZCUIDMMVZTL-UHFFFAOYSA-N 2 0 299.459 1.049 10 0 CDAERP CCN1CCCC[C@@H]1C(=O)OC[C@]1(C)C[C@H](OC)C[N@@H+]1C ZINC001650482719 1171115629 /nfs/dbraw/zinc/11/56/29/1171115629.db2.gz IFAYFIOPBBTINL-LZWOXQAQSA-N 2 0 298.427 1.513 10 0 CDAERP COCCSCCC[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001655277504 1171683809 /nfs/dbraw/zinc/68/38/09/1171683809.db2.gz AEKIIHAZCWGRAD-KGLIPLIRSA-N 2 0 272.458 1.640 10 0 CDAERP CCCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1CC ZINC001656734213 1171868114 /nfs/dbraw/zinc/86/81/14/1171868114.db2.gz XLJPYDRIXDLQHA-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP COCCC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001662525656 1172557062 /nfs/dbraw/zinc/55/70/62/1172557062.db2.gz JKLMLIGGRWVYGI-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP CC[N@@H+]1CC[C@H]1C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC001586547880 1172950260 /nfs/dbraw/zinc/95/02/60/1172950260.db2.gz WJAITWBBRHPEHW-KGLIPLIRSA-N 2 0 265.401 1.025 10 0 CDAERP CCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001665462769 1173002317 /nfs/dbraw/zinc/00/23/17/1173002317.db2.gz CYSHNNLFQUUNHB-QLFBSQMISA-N 2 0 281.444 1.707 10 0 CDAERP COCCC[N@H+](C)CCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001667634281 1173303489 /nfs/dbraw/zinc/30/34/89/1173303489.db2.gz JVFXDWOKSRBWCU-UHFFFAOYSA-N 2 0 299.459 1.145 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C1C[NH+](CC=C(C)C)C1)[NH+](C)C ZINC001675323092 1174101359 /nfs/dbraw/zinc/10/13/59/1174101359.db2.gz VLZKHXSKAIOZRW-UKRRQHHQSA-N 2 0 281.444 1.729 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001690738303 1175560228 /nfs/dbraw/zinc/56/02/28/1175560228.db2.gz DFWPVEHDIFFVFF-HOTGVXAUSA-N 2 0 293.455 1.733 10 0 CDAERP C[C@H](CCNC(=O)C[NH+]1CCC(C)CC1)[NH2+]CCCF ZINC001690872054 1175596253 /nfs/dbraw/zinc/59/62/53/1175596253.db2.gz LZBCIKCBDICDDJ-CQSZACIVSA-N 2 0 287.423 1.562 10 0 CDAERP CC[C@H](C)C[NH+]1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001692328180 1175738404 /nfs/dbraw/zinc/73/84/04/1175738404.db2.gz SOBZMCUQDBKWSA-ZDUSSCGKSA-N 2 0 269.433 1.422 10 0 CDAERP C[C@@H](F)CC[NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCCC1 ZINC001698636909 1175881608 /nfs/dbraw/zinc/88/16/08/1175881608.db2.gz XZHPHBSUEJPYTP-CQSZACIVSA-N 2 0 299.434 1.849 10 0 CDAERP CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001698675221 1175892564 /nfs/dbraw/zinc/89/25/64/1175892564.db2.gz VHMQKWUDUKFOCR-HUUCEWRRSA-N 2 0 281.444 1.709 10 0 CDAERP COCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001698706574 1175898613 /nfs/dbraw/zinc/89/86/13/1175898613.db2.gz MZSKTFJMFKVTRQ-KKUMJFAQSA-N 2 0 297.443 1.134 10 0 CDAERP CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001698841547 1175958929 /nfs/dbraw/zinc/95/89/29/1175958929.db2.gz OYMDNHLMCRTIGE-IHRRRGAJSA-N 2 0 269.433 1.563 10 0 CDAERP CCCC[NH2+]C/C=C/CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001699336880 1176262290 /nfs/dbraw/zinc/26/22/90/1176262290.db2.gz VJALPSAVGPSPEH-GJBLVYBDSA-N 2 0 267.417 1.390 10 0 CDAERP CC[NH2+]CCCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001699520336 1176459157 /nfs/dbraw/zinc/45/91/57/1176459157.db2.gz FIGCTZIJEQIDSB-UHFFFAOYSA-N 2 0 274.368 1.714 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)[C@H](C)Cc1c[nH]cn1)C1CC1 ZINC001699595019 1176492642 /nfs/dbraw/zinc/49/26/42/1176492642.db2.gz LSJRJZPZZFBDSM-ZWNOBZJWSA-N 2 0 264.373 1.093 10 0 CDAERP CC(C)CCC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001699598013 1176494321 /nfs/dbraw/zinc/49/43/21/1176494321.db2.gz PBRPGAGYEWREKK-CVEARBPZSA-N 2 0 295.471 1.859 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC2CC(C[NH2+]C/C=C/Cl)C2)C1 ZINC001700380594 1176885795 /nfs/dbraw/zinc/88/57/95/1176885795.db2.gz DNPVGZHGUGFAKV-UUINJXAGSA-N 2 0 299.846 1.565 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CCCF)CN1C(=O)CC[NH+]1CCCCC1 ZINC001700854821 1177166590 /nfs/dbraw/zinc/16/65/90/1177166590.db2.gz UVCIKXFQRDTWKA-CABCVRRESA-N 2 0 299.434 1.801 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](CCCOC)[C@@H]1C ZINC001700891258 1177181525 /nfs/dbraw/zinc/18/15/25/1177181525.db2.gz ZNGOMGJXCIPQQS-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP CC[N@H+](CCNC(=O)c1csc([C@@H](C)N)n1)C1CC1 ZINC000219912771 1177905277 /nfs/dbraw/zinc/90/52/77/1177905277.db2.gz GJUKSYUPDTVHSY-SECBINFHSA-N 2 0 282.413 1.377 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001707063938 1177935703 /nfs/dbraw/zinc/93/57/03/1177935703.db2.gz TVAZLKVMYRZMOV-LSDHHAIUSA-N 2 0 281.444 1.661 10 0 CDAERP CC[N@H+](CCCNC(=O)C[C@@H]1CC[NH+](C)C1)CC(C)C ZINC001707472250 1178068917 /nfs/dbraw/zinc/06/89/17/1178068917.db2.gz KGHNGSQAGXOXQL-HNNXBMFYSA-N 2 0 283.460 1.812 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001713245068 1178449855 /nfs/dbraw/zinc/44/98/55/1178449855.db2.gz CBXDWXQZWMXUDS-LSDHHAIUSA-N 2 0 281.444 1.566 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001713245589 1178450227 /nfs/dbraw/zinc/45/02/27/1178450227.db2.gz IYWFCSQPYYJIQG-KBPBESRZSA-N 2 0 267.417 1.176 10 0 CDAERP CCOCC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)C1CC1 ZINC001713558444 1178645876 /nfs/dbraw/zinc/64/58/76/1178645876.db2.gz KEKXGEUWGYWHCO-OAHLLOKOSA-N 2 0 297.443 1.088 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]CC(C)C ZINC001713598275 1178675181 /nfs/dbraw/zinc/67/51/81/1178675181.db2.gz PPSWZSHBJBFCPE-CQSZACIVSA-N 2 0 269.433 1.565 10 0 CDAERP CCCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001713685189 1178707662 /nfs/dbraw/zinc/70/76/62/1178707662.db2.gz ZDBVHQOTGLTTHZ-GDBMZVCRSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001713966018 1178897409 /nfs/dbraw/zinc/89/74/09/1178897409.db2.gz GJMAFBNFVSOQEB-XJFOESAGSA-N 2 0 267.417 1.221 10 0 CDAERP CC/C=C/CC[NH2+][C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001714242074 1179041685 /nfs/dbraw/zinc/04/16/85/1179041685.db2.gz UXYVZZNSWZUGSM-PSKZRQQASA-N 2 0 281.444 1.921 10 0 CDAERP CCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001714411919 1179127589 /nfs/dbraw/zinc/12/75/89/1179127589.db2.gz NHCXVROEKBOKHP-HUUCEWRRSA-N 2 0 293.455 1.899 10 0 CDAERP CC[C@@H](C)C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001714705884 1179348910 /nfs/dbraw/zinc/34/89/10/1179348910.db2.gz IFBRZQFYIMCAFP-MGPQQGTHSA-N 2 0 269.433 1.421 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]CCC1CC1 ZINC001714878709 1179426738 /nfs/dbraw/zinc/42/67/38/1179426738.db2.gz HMIWHROPFHYUMO-CYBMUJFWSA-N 2 0 269.433 1.563 10 0 CDAERP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CC1CCC1 ZINC001715070204 1179539590 /nfs/dbraw/zinc/53/95/90/1179539590.db2.gz GSQVWILYJZIEEA-CYBMUJFWSA-N 2 0 255.406 1.223 10 0 CDAERP C[C@@H](C[NH2+]CCC1CC1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001715372090 1179646918 /nfs/dbraw/zinc/64/69/18/1179646918.db2.gz MFFQKMDMLNJLKM-ZDUSSCGKSA-N 2 0 279.428 1.319 10 0 CDAERP CC(C)=CC[NH2+]CC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001715677488 1179761572 /nfs/dbraw/zinc/76/15/72/1179761572.db2.gz JDWPFWXVMNOGCY-CYBMUJFWSA-N 2 0 255.406 1.389 10 0 CDAERP C[C@H](CC[NH2+]Cc1ccns1)NC(=O)CC[NH+](C)C ZINC001715678153 1179761808 /nfs/dbraw/zinc/76/18/08/1179761808.db2.gz KRBRLUFUYUEUJV-LLVKDONJSA-N 2 0 284.429 1.079 10 0 CDAERP CCN(CC[NH2+]CC1CC(C)C1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001715743806 1179787667 /nfs/dbraw/zinc/78/76/67/1179787667.db2.gz PQROSOCUWVXDMR-GPANFISMSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](C[NH2+]CCCCCF)NC(=O)C12CC[NH+](CC1)C2 ZINC001715955543 1179940451 /nfs/dbraw/zinc/94/04/51/1179940451.db2.gz NVTFTXXWCLUXOQ-CYBMUJFWSA-N 2 0 285.407 1.316 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)NC/C=C\C[NH2+]CC2CC2)C1 ZINC001716333779 1180159122 /nfs/dbraw/zinc/15/91/22/1180159122.db2.gz DXRQSNZEORDYKD-QGZUEGPWSA-N 2 0 293.455 1.780 10 0 CDAERP O=C(NC/C=C/C[NH2+]CCC1CC1)C12CC[NH+](CC1)C2 ZINC001716368310 1180170846 /nfs/dbraw/zinc/17/08/46/1180170846.db2.gz PQVDPCQUMKRWHY-OWOJBTEDSA-N 2 0 277.412 1.144 10 0 CDAERP CC1CC(C[NH2+]C/C=C\CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001716375036 1180172404 /nfs/dbraw/zinc/17/24/04/1180172404.db2.gz BVWSFKNXVKVYTB-RWRSXTBPSA-N 2 0 279.428 1.246 10 0 CDAERP C[C@H]1C[C@@H](C[NH2+]CCCN(C)C(=O)CC[NH+](C)C)CCO1 ZINC001716565198 1180286502 /nfs/dbraw/zinc/28/65/02/1180286502.db2.gz YNWVMGSJSGSXBY-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@@H](F)CC[NH2+]CC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001717096029 1180531011 /nfs/dbraw/zinc/53/10/11/1180531011.db2.gz BOGFHWKCPFNTFV-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP CCC[NH2+]CC[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001717106979 1180532805 /nfs/dbraw/zinc/53/28/05/1180532805.db2.gz SYIFABOTFNLJNP-CQSZACIVSA-N 2 0 279.428 1.320 10 0 CDAERP CCCC[NH2+]CC[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001717111234 1180533292 /nfs/dbraw/zinc/53/32/92/1180533292.db2.gz OAGYRZZXHRQYAZ-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CCCCC[NH2+][C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001717284668 1180603452 /nfs/dbraw/zinc/60/34/52/1180603452.db2.gz TUTPBKSIRRTRBN-CABCVRRESA-N 2 0 295.471 1.955 10 0 CDAERP COCCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001717338552 1180622061 /nfs/dbraw/zinc/62/20/61/1180622061.db2.gz WHDPVTKPOGFZDG-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)OCCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001717466550 1180686394 /nfs/dbraw/zinc/68/63/94/1180686394.db2.gz KTMYEGZZOYHEGI-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH+](C)CC1CC1 ZINC001717487277 1180702999 /nfs/dbraw/zinc/70/29/99/1180702999.db2.gz HNRPXVGITBBOOM-STQMWFEESA-N 2 0 267.417 1.175 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@H]2CC[C@H](C[NH2+]CCCF)C2)CC1 ZINC001717879591 1180909892 /nfs/dbraw/zinc/90/98/92/1180909892.db2.gz QXUPHLIEEQUAGP-KBPBESRZSA-N 2 0 299.434 1.562 10 0 CDAERP CCC[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001724188146 1181649863 /nfs/dbraw/zinc/64/98/63/1181649863.db2.gz DUDCEBMJWYURID-AWEZNQCLSA-N 2 0 255.406 1.317 10 0 CDAERP CCC[NH2+]C[C@]1(C)CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001724251330 1181657929 /nfs/dbraw/zinc/65/79/29/1181657929.db2.gz PHKPXYPPMUEBEK-KRWDZBQOSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)COCC[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001724939605 1181801553 /nfs/dbraw/zinc/80/15/53/1181801553.db2.gz BOYFEKPTUIYBPY-CABCVRRESA-N 2 0 299.459 1.047 10 0 CDAERP C[C@@H]([NH2+]CC1CC1)[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001725094519 1181856830 /nfs/dbraw/zinc/85/68/30/1181856830.db2.gz PSXDQLDMPNKTOS-NEPJUHHUSA-N 2 0 267.417 1.364 10 0 CDAERP CC(C)[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001725127891 1181875223 /nfs/dbraw/zinc/87/52/23/1181875223.db2.gz GNLUSANHTWVMLJ-OLZOCXBDSA-N 2 0 269.433 1.752 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NC2(C[NH2+]CCF)CCCCC2)C1 ZINC001725229014 1181927868 /nfs/dbraw/zinc/92/78/68/1181927868.db2.gz JOXSLPUOJIQDRM-ZDUSSCGKSA-N 2 0 285.407 1.316 10 0 CDAERP O=C(Cc1c[nH]cn1)N[C@H]1C[C@H](C[NH2+]CCC2CC2)C1 ZINC001725365426 1181975871 /nfs/dbraw/zinc/97/58/71/1181975871.db2.gz YAMHKPYXBADHEH-JOCQHMNTSA-N 2 0 276.384 1.237 10 0 CDAERP CCC[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001725372220 1181978307 /nfs/dbraw/zinc/97/83/07/1181978307.db2.gz NJGDBCDAMNWWBT-KBUPBQIOSA-N 2 0 281.444 1.754 10 0 CDAERP C[C@H](CCC[NH2+]CC1CCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001725418775 1181994051 /nfs/dbraw/zinc/99/40/51/1181994051.db2.gz RHBUWPZLLQVARJ-HIFRSBDPSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)COCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001725475768 1182013922 /nfs/dbraw/zinc/01/39/22/1182013922.db2.gz GEHLCPJIIVARTD-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CCCOC)C(C)(C)C1 ZINC001725674904 1182094059 /nfs/dbraw/zinc/09/40/59/1182094059.db2.gz GBPPWTNQLPWZPA-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP C[NH+](C)CCCCC(=O)N1C[C@@H]([NH2+]CCF)C(C)(C)C1 ZINC001725673808 1182094248 /nfs/dbraw/zinc/09/42/48/1182094248.db2.gz AXVSPMBMNAXBAQ-CYBMUJFWSA-N 2 0 287.423 1.514 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC=C(C)C)[C@@H]1C ZINC001725694490 1182100209 /nfs/dbraw/zinc/10/02/09/1182100209.db2.gz ZOGMJDQWHBXZQR-LSDHHAIUSA-N 2 0 281.444 1.873 10 0 CDAERP CN(CCCNC(=O)C[NH+]1CCCC1)Cc1nccs1 ZINC001731282539 1182294347 /nfs/dbraw/zinc/29/43/47/1182294347.db2.gz HBUCOEYUIIDJCU-UHFFFAOYSA-N 2 0 296.440 1.177 10 0 CDAERP O=C(NCCC[N@@H+](CCF)C1CC1)C12CC[NH+](CC1)C2 ZINC001731343187 1182330836 /nfs/dbraw/zinc/33/08/36/1182330836.db2.gz XRFQGWQXYNVIIH-UHFFFAOYSA-N 2 0 283.391 1.022 10 0 CDAERP CCCCC[NH2+][C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001731633237 1182492264 /nfs/dbraw/zinc/49/22/64/1182492264.db2.gz LUEQAWOCTMLTLL-ZIAGYGMSSA-N 2 0 269.433 1.613 10 0 CDAERP CN(CC[NH2+]CCC1CC1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001731922004 1182680263 /nfs/dbraw/zinc/68/02/63/1182680263.db2.gz LOTFDDUXDLFQKF-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)C[NH2+]CCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001731942775 1182690653 /nfs/dbraw/zinc/69/06/53/1182690653.db2.gz APMHDEDIGZUQNJ-LSDHHAIUSA-N 2 0 281.444 1.707 10 0 CDAERP CN(CC[NH2+]Cc1ccccc1F)C(=O)CCC[NH+](C)C ZINC001731948446 1182694096 /nfs/dbraw/zinc/69/40/96/1182694096.db2.gz SNMXAHVZCCNPJX-UHFFFAOYSA-N 2 0 295.402 1.716 10 0 CDAERP C[NH+](C)CCCCC(=O)NC1C[NH+](CC2CC(C)(C)C2)C1 ZINC001732114671 1182780040 /nfs/dbraw/zinc/78/00/40/1182780040.db2.gz CNCMEIWCWOSOIP-UHFFFAOYSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](C[NH2+]CCC1CC1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001732429397 1182961086 /nfs/dbraw/zinc/96/10/86/1182961086.db2.gz PYPAVUVTGBIVEA-AWEZNQCLSA-N 2 0 293.455 1.851 10 0 CDAERP CC[N@H+](C)CCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001732597463 1183038428 /nfs/dbraw/zinc/03/84/28/1183038428.db2.gz MKOWNWJTTMNTGN-STQMWFEESA-N 2 0 255.406 1.269 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC/C=C\C[NH2+]CC(C)C)CC[N@@H+]1C ZINC001732853916 1183159971 /nfs/dbraw/zinc/15/99/71/1183159971.db2.gz VBOSMGMBLTZEHG-NHQLZKDQSA-N 2 0 281.444 1.635 10 0 CDAERP COCCC[N@@H+]1CC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001733218076 1183344324 /nfs/dbraw/zinc/34/43/24/1183344324.db2.gz BOOSYHJNYDAVKJ-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CC/C=C/CC[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001733346630 1183404881 /nfs/dbraw/zinc/40/48/81/1183404881.db2.gz BHVQRAXOIOEAAN-NFAHFFEMSA-N 2 0 281.444 1.875 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]CCCF)C1 ZINC001733557745 1183466014 /nfs/dbraw/zinc/46/60/14/1183466014.db2.gz CRGHLTASASBEAC-KBPBESRZSA-N 2 0 287.423 1.370 10 0 CDAERP CC(C)[NH2+]CC(C)(C)CN(C)C(=O)CC[NH+](C)C ZINC001734022911 1183616873 /nfs/dbraw/zinc/61/68/73/1183616873.db2.gz SNKNTJXWIVBVLZ-UHFFFAOYSA-N 2 0 257.422 1.421 10 0 CDAERP CC[NH+]1CC([C@@H](C)NC(=O)CCCC[NH+](C)C)C1 ZINC001734127516 1183669299 /nfs/dbraw/zinc/66/92/99/1183669299.db2.gz GOSUSAYPEOUXDJ-GFCCVEGCSA-N 2 0 255.406 1.175 10 0 CDAERP CCCC[NH2+][C@H](C)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001734343303 1183740998 /nfs/dbraw/zinc/74/09/98/1183740998.db2.gz JUOMLFLFEKBZKY-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP CCCC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001734397975 1183762869 /nfs/dbraw/zinc/76/28/69/1183762869.db2.gz CTBPJDPZKFYOCX-UONOGXRCSA-N 2 0 281.444 1.707 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCOC(C)C)[C@H]1C ZINC001734404363 1183764774 /nfs/dbraw/zinc/76/47/74/1183764774.db2.gz RWAPXAROZUVWPG-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)OCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]1C ZINC001734408239 1183766853 /nfs/dbraw/zinc/76/68/53/1183766853.db2.gz NITGKCAZNNPMGX-CABCVRRESA-N 2 0 299.459 1.331 10 0 CDAERP C[C@@H]1[C@H](NC(=O)CCCC[NH+](C)C)CCC[N@@H+]1CCCO ZINC001734456724 1183785135 /nfs/dbraw/zinc/78/51/35/1183785135.db2.gz IGBJBVAIECMLIQ-HUUCEWRRSA-N 2 0 299.459 1.070 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@@H]2CC[C@H](C[NH2+]CCF)C2)CC1 ZINC001734481593 1183794953 /nfs/dbraw/zinc/79/49/53/1183794953.db2.gz QEIHBUIBZVQRBC-QWHCGFSZSA-N 2 0 285.407 1.172 10 0 CDAERP C[NH+]1CCC(CC[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000405342926 1186571865 /nfs/dbraw/zinc/57/18/65/1186571865.db2.gz JEGVGVZFPDBHFY-KBPBESRZSA-N 3 0 251.418 1.578 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001771679313 1186829206 /nfs/dbraw/zinc/82/92/06/1186829206.db2.gz ACTXTECKUFATSA-CQSZACIVSA-N 2 0 298.475 1.842 10 0 CDAERP [NH3+][C@@H]1CCc2ncc(NC(=O)[C@H]3CCCC[C@H]3[NH3+])cc2C1 ZINC001771750613 1186857971 /nfs/dbraw/zinc/85/79/71/1186857971.db2.gz PRXNUUBCLAACHZ-KWCYVHTRSA-N 2 0 288.395 1.354 10 0 CDAERP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCCC[C@H]3O)C[C@@H]2C1 ZINC000386712108 1187271412 /nfs/dbraw/zinc/27/14/12/1187271412.db2.gz VHPOGCZPYGQWMN-CBBWQLFWSA-N 2 0 252.402 1.421 10 0 CDAERP CC1CC[NH+](CCCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000344193919 1164339837 /nfs/dbraw/zinc/33/98/37/1164339837.db2.gz IXDBZAWBLJUAAD-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H]1C[N@H+](Cc2ccc(-n3ccnc3)nc2)C[C@H]1C[NH3+] ZINC000866673981 1164806109 /nfs/dbraw/zinc/80/61/09/1164806109.db2.gz OGRIVMBDLFUGFV-TZMCWYRMSA-N 2 0 271.368 1.294 10 0 CDAERP CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925811233 782231461 /nfs/dbraw/zinc/23/14/61/782231461.db2.gz ZDDQLTOEGBWRQY-HUUCEWRRSA-N 2 0 291.439 1.605 10 0 CDAERP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)C(C)(C)CO ZINC000925022034 782312783 /nfs/dbraw/zinc/31/27/83/782312783.db2.gz DWZGAVXMSBMPCG-ZIAGYGMSSA-N 2 0 272.433 1.220 10 0 CDAERP [NH3+][C@H]1C[C@H](N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C12CCC2 ZINC000925713352 782389845 /nfs/dbraw/zinc/38/98/45/782389845.db2.gz VCWFEJFJWMBZFR-NCOADZHNSA-N 2 0 285.435 1.992 10 0 CDAERP C[C@@H](C1CC1)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000866590298 782500827 /nfs/dbraw/zinc/50/08/27/782500827.db2.gz PSWMWMDZENRZLP-ZDUSSCGKSA-N 2 0 251.418 1.497 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000870994849 1165251571 /nfs/dbraw/zinc/25/15/71/1165251571.db2.gz WJPJODKUFPHNMU-SWLSCSKDSA-N 2 0 267.417 1.352 10 0 CDAERP CC[C@H]([NH2+]CCOCC[NH+](C)C)[C@@H]1CCCOC1 ZINC000872065190 1165376259 /nfs/dbraw/zinc/37/62/59/1165376259.db2.gz VKFYRRPFQNTWEH-KGLIPLIRSA-N 2 0 258.406 1.359 10 0 CDAERP CC1(C)OC[C@H](C[NH+]2CCC(C[NH+]3CCCC3)CC2)O1 ZINC000851727351 780963946 /nfs/dbraw/zinc/96/39/46/780963946.db2.gz LFBZFIHJYGMXPR-HNNXBMFYSA-N 2 0 282.428 1.946 10 0 CDAERP CC1(C)C[C@@H]([NH2+][C@H](CO)C2CCOCC2)C[C@@H]([NH3+])C1 ZINC000925657548 782685148 /nfs/dbraw/zinc/68/51/48/782685148.db2.gz UBHFTCKGIVIWSJ-HZSPNIEDSA-N 2 0 270.417 1.270 10 0 CDAERP Cc1ccsc1CNC(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923498207 782738663 /nfs/dbraw/zinc/73/86/63/782738663.db2.gz KAVAFRDZWGLIIO-OLZOCXBDSA-N 2 0 295.452 1.589 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)C[C@H]1CCCC(C)(C)O1 ZINC000714330984 782791560 /nfs/dbraw/zinc/79/15/60/782791560.db2.gz QRGNJTPMIAAJEL-CYBMUJFWSA-N 2 0 258.406 1.502 10 0 CDAERP CCC[NH+]1CCC([NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)CC1 ZINC000724628122 782817997 /nfs/dbraw/zinc/81/79/97/782817997.db2.gz MTRBNMCXHLRYLK-SNPRPXQTSA-N 2 0 268.401 1.254 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)CO[C@H]2CCC[NH2+]C2)cc1 ZINC000841848431 782832022 /nfs/dbraw/zinc/83/20/22/782832022.db2.gz LGHJUFWNXMKLME-DOMZBBRYSA-N 2 0 291.395 1.091 10 0 CDAERP Cc1ccc([C@H](O)C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925492134 782836187 /nfs/dbraw/zinc/83/61/87/782836187.db2.gz GWESEWYQZFFYCA-RBSFLKMASA-N 2 0 260.381 1.888 10 0 CDAERP Cc1nn(C)c(Cl)c1C[NH2+]CCC1(C[NH3+])CC1 ZINC000844902300 782843279 /nfs/dbraw/zinc/84/32/79/782843279.db2.gz PCFYXHNAYDJETA-UHFFFAOYSA-N 2 0 256.781 1.601 10 0 CDAERP C1CC2(C1)[NH2+]CC[C@@H]2[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000863483284 783040148 /nfs/dbraw/zinc/04/01/48/783040148.db2.gz UKQQHFSMBDWCEB-RQJABVFESA-N 2 0 262.397 1.818 10 0 CDAERP FC1(F)CC[NH2+]C[C@@H]1CNC1CC[NH+](C2CC2)CC1 ZINC000925776226 783091862 /nfs/dbraw/zinc/09/18/62/783091862.db2.gz KFAQKYXVDDATIH-LLVKDONJSA-N 2 0 273.371 1.448 10 0 CDAERP C[C@@H]([NH2+]C1CCC2(CC1)OCCO2)C1CC[NH2+]CC1 ZINC000715594059 783386689 /nfs/dbraw/zinc/38/66/89/783386689.db2.gz GYAJWUHQILQTDR-GFCCVEGCSA-N 2 0 268.401 1.650 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCOC[C@@H]2C(C)C)CC1 ZINC000924671286 783193968 /nfs/dbraw/zinc/19/39/68/783193968.db2.gz OZDLOHWFDOHCED-ZACQAIPSSA-N 2 0 297.487 1.663 10 0 CDAERP CC[C@@H]1CN(C(=O)CCC23CC(C2)C[NH2+]3)CC[C@@H]1[NH3+] ZINC000870939994 783188198 /nfs/dbraw/zinc/18/81/98/783188198.db2.gz GDKQCBHDCBXHLH-ICRTXTNUSA-N 2 0 265.401 1.104 10 0 CDAERP CC(C)n1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000923498385 780211605 /nfs/dbraw/zinc/21/16/05/780211605.db2.gz PEEBGGLCMODKLQ-OLZOCXBDSA-N 2 0 250.390 1.881 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CC1([C@@H](O)c2ccccc2)CC1 ZINC000817916196 780264199 /nfs/dbraw/zinc/26/41/99/780264199.db2.gz BMBBZYPWFLJOSE-HOTGVXAUSA-N 2 0 292.423 1.844 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2cccc(C(N)=O)c2)C1 ZINC000866707849 780302416 /nfs/dbraw/zinc/30/24/16/780302416.db2.gz XGAYVSPREOWWQT-KRWDZBQOSA-N 2 0 289.423 1.982 10 0 CDAERP C[C@@H]1C[C@H]([N@H+](C)CC[C@H]2COC(C)(C)O2)CCN1C ZINC000851796664 780338373 /nfs/dbraw/zinc/33/83/73/780338373.db2.gz IFTUOIGYCNCGGX-MCIONIFRSA-N 2 0 270.417 1.943 10 0 CDAERP CCCCNC(=O)CC[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872153148 780356620 /nfs/dbraw/zinc/35/66/20/780356620.db2.gz ZCNCFIZPMNFRRI-WDEREUQCSA-N 2 0 295.349 1.362 10 0 CDAERP COC[C@H](C[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)C(C)C ZINC000721836264 780383259 /nfs/dbraw/zinc/38/32/59/780383259.db2.gz DTEOVNOKZNZNHE-GRYCIOLGSA-N 2 0 282.350 1.974 10 0 CDAERP CC(C)[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)C1CC1 ZINC000925849159 780398853 /nfs/dbraw/zinc/39/88/53/780398853.db2.gz AUDTVNKVEQLYLP-ZIAGYGMSSA-N 2 0 280.412 1.696 10 0 CDAERP C([C@H]1CCC[NH2+]1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000062031669 780461095 /nfs/dbraw/zinc/46/10/95/780461095.db2.gz ZRIJDNKIMWUIPC-OAHLLOKOSA-N 2 0 251.418 1.546 10 0 CDAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CC[C@H]1CCC[NH2+]C1)CC2 ZINC000923450153 780509830 /nfs/dbraw/zinc/50/98/30/780509830.db2.gz FRMCHNHESMRKAP-CABCVRRESA-N 3 0 281.444 1.206 10 0 CDAERP COCCNC(=[NH2+])NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000848983080 780535062 /nfs/dbraw/zinc/53/50/62/780535062.db2.gz WCYJCHDALGXYMY-UHFFFAOYSA-N 2 0 290.411 1.543 10 0 CDAERP C[C@H]1CCC[N@@H+]1CCNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000831970542 780595811 /nfs/dbraw/zinc/59/58/11/780595811.db2.gz IHZARQOZGSKWHI-WFASDCNBSA-N 2 0 293.386 1.469 10 0 CDAERP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H](CO)Cc1ccc(F)cc1)[NH2+]2 ZINC000925651283 780614330 /nfs/dbraw/zinc/61/43/30/780614330.db2.gz ZRXHWHGIRZHIAV-UTVHMOSLSA-N 2 0 292.398 1.848 10 0 CDAERP C[N@H+](CCNC(=O)C[C@H]([NH3+])C1CC1)C1CCCCC1 ZINC000827738399 780638735 /nfs/dbraw/zinc/63/87/35/780638735.db2.gz LIVSYHUWERWVLO-AWEZNQCLSA-N 2 0 267.417 1.495 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCn2ccnc2C1 ZINC000926228782 780817580 /nfs/dbraw/zinc/81/75/80/780817580.db2.gz JBEODLTTXMNXSV-SXBYAPGRSA-N 2 0 260.385 1.128 10 0 CDAERP [NH3+]C1(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)CCOCC1 ZINC000863541849 780860241 /nfs/dbraw/zinc/86/02/41/780860241.db2.gz PZXQAZBNNDKHBT-UTUOFQBUSA-N 2 0 288.482 1.464 10 0 CDAERP CC1([NH+]2CCC2)CCC([NH2+][C@H]2CCCNC(=O)C2)CC1 ZINC000927038336 780874253 /nfs/dbraw/zinc/87/42/53/780874253.db2.gz PPMFPLOGSMZIAT-BBBYJDLNSA-N 2 0 279.428 1.652 10 0 CDAERP CC(C)(C[NH2+][C@@H]1CCCN2CCCC[C@H]12)C(N)=O ZINC000925691399 780949569 /nfs/dbraw/zinc/94/95/69/780949569.db2.gz NABZHDSLYRDAPN-VXGBXAGGSA-N 2 0 253.390 1.104 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1cc(C2CC2)no1 ZINC000925774658 781062750 /nfs/dbraw/zinc/06/27/50/781062750.db2.gz XETYLCLTLCXCGX-LLVKDONJSA-N 2 0 253.346 1.396 10 0 CDAERP C[C@H](C(=O)NC1CCCC1)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723895666 781085773 /nfs/dbraw/zinc/08/57/73/781085773.db2.gz YJDJPHDSXGDUTQ-JHJVBQTASA-N 2 0 267.417 1.350 10 0 CDAERP CC[C@@H](CN1CCC([N@@H+]2CCCOCC2)CC1)OC ZINC000931285112 781197840 /nfs/dbraw/zinc/19/78/40/781197840.db2.gz FZPMYWVOHQMHGX-HNNXBMFYSA-N 2 0 270.417 1.598 10 0 CDAERP c1[nH+]cn2ccc(-c3noc(C[NH2+]CC4CC4)n3)cc12 ZINC000843226654 781213900 /nfs/dbraw/zinc/21/39/00/781213900.db2.gz GJKMKFBWUFEOBR-UHFFFAOYSA-N 2 0 269.308 1.884 10 0 CDAERP C[NH+](C)CC1(C[NH2+]C[C@@H](O)CC(C)(C)O)CCCC1 ZINC000872206367 781295799 /nfs/dbraw/zinc/29/57/99/781295799.db2.gz UWKIHEZAPCQWDO-ZDUSSCGKSA-N 2 0 272.433 1.220 10 0 CDAERP CC1(C)[C@H]([NH2+]CC2CCOCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925545533 781307750 /nfs/dbraw/zinc/30/77/50/781307750.db2.gz GUFQQOYDTCNTNO-HZSPNIEDSA-N 2 0 252.402 1.779 10 0 CDAERP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)C[C@@H]1CCC(=O)N1 ZINC000926646279 781330804 /nfs/dbraw/zinc/33/08/04/781330804.db2.gz WYOHEYDRYJUORV-KGLIPLIRSA-N 2 0 269.433 1.611 10 0 CDAERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCc2nnc(C)o2)C1 ZINC000929770208 781331474 /nfs/dbraw/zinc/33/14/74/781331474.db2.gz CLRAPEREVIIMLG-CQSZACIVSA-N 2 0 296.415 1.353 10 0 CDAERP Cc1cc(NC[C@H](C)[N@H+](C)Cc2ccccc2)nc(N)[nH+]1 ZINC000390807805 781373355 /nfs/dbraw/zinc/37/33/55/781373355.db2.gz NHXGTWVOUAOYNF-ZDUSSCGKSA-N 2 0 285.395 1.552 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)NCc2ccc(F)cc2)CC[C@H]1C[NH3+] ZINC000923502939 781387577 /nfs/dbraw/zinc/38/75/77/781387577.db2.gz FFLNTSBDTCVYHD-OCCSQVGLSA-N 2 0 293.386 1.359 10 0 CDAERP C[C@H]1[NH2+]CCC[C@@H]1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000094648286 781403229 /nfs/dbraw/zinc/40/32/29/781403229.db2.gz PUXYXOPGVKIIRU-ZBFHGGJFSA-N 2 0 293.455 1.709 10 0 CDAERP CCC(C)(C)[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC000925340450 781419737 /nfs/dbraw/zinc/41/97/37/781419737.db2.gz CNRZWNRTBLZPKA-UONOGXRCSA-N 2 0 296.459 1.595 10 0 CDAERP Cc1noc(C)c1C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923453983 781500599 /nfs/dbraw/zinc/50/05/99/781500599.db2.gz DUTCDXBPRDXNFQ-CYBMUJFWSA-N 2 0 279.384 1.621 10 0 CDAERP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000849023871 781584741 /nfs/dbraw/zinc/58/47/41/781584741.db2.gz ITWBBJUWEREBPT-QWHCGFSZSA-N 2 0 282.432 1.400 10 0 CDAERP CCCCOC[C@H](O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000227910658 781763442 /nfs/dbraw/zinc/76/34/42/781763442.db2.gz MTHSVRYWJJRZBH-CQSZACIVSA-N 2 0 258.406 1.225 10 0 CDAERP Cc1csc(=O)n1CC[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923497326 781814248 /nfs/dbraw/zinc/81/42/48/781814248.db2.gz BMSGSKDIHLYOEK-JQWIXIFHSA-N 2 0 269.414 1.135 10 0 CDAERP CO[C@]1(C[NH2+]C2CC[NH+](C(C)C)CC2)CCSC1 ZINC000719230166 781861052 /nfs/dbraw/zinc/86/10/52/781861052.db2.gz QJQUYGXYKJNHNZ-AWEZNQCLSA-N 2 0 272.458 1.971 10 0 CDAERP Cc1cc(N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc[nH+]1 ZINC000720869142 781874014 /nfs/dbraw/zinc/87/40/14/781874014.db2.gz CQPRXZVFTOOQRT-KOLCDFICSA-N 2 0 259.275 1.963 10 0 CDAERP C([C@@H]1CCC2(CCC2)O1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515381 783242195 /nfs/dbraw/zinc/24/21/95/783242195.db2.gz FJFDKPWQEKYJTD-MJBXVCDLSA-N 2 0 250.386 1.629 10 0 CDAERP C[N@@H+]1CCN(C[C@@]2(C)CCC[NH2+]C2)CCC1(C)C ZINC000712669850 783242349 /nfs/dbraw/zinc/24/23/49/783242349.db2.gz FYHZSEJZPSYELL-HNNXBMFYSA-N 2 0 253.434 1.792 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2N[C@@H]1CC[NH+](C(C)(C)C)C1 ZINC000926684285 783301950 /nfs/dbraw/zinc/30/19/50/783301950.db2.gz SCELSXJITIGMJP-PEUVFPKISA-N 2 0 265.445 1.789 10 0 CDAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000925830382 783356119 /nfs/dbraw/zinc/35/61/19/783356119.db2.gz CXBNMXOQODCPHY-ILHHOCCXSA-N 2 0 291.395 1.303 10 0 CDAERP CC(C)[C@H]([NH3+])CCN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925718190 783375028 /nfs/dbraw/zinc/37/50/28/783375028.db2.gz XZLKAOZOCMQFNO-MQYQWHSLSA-N 2 0 253.434 1.726 10 0 CDAERP C[NH+]1CCC(C)(C[NH2+][C@@H]2CN3C[C@@H]2CCC3)CC1 ZINC000926113910 783388735 /nfs/dbraw/zinc/38/87/35/783388735.db2.gz JPINOWVIILLLAQ-UONOGXRCSA-N 2 0 251.418 1.402 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCCNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000848982334 783393950 /nfs/dbraw/zinc/39/39/50/783393950.db2.gz HWEQAAFEZJYZQV-KBPBESRZSA-N 2 0 282.432 1.544 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)C[NH2+]C1(CO)CCCCCCC1 ZINC000713471752 783481505 /nfs/dbraw/zinc/48/15/05/783481505.db2.gz BIWTZMSJWPBYOM-OAHLLOKOSA-N 2 0 286.460 1.753 10 0 CDAERP CC(C)[C@H](CCO)[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000925154061 783518930 /nfs/dbraw/zinc/51/89/30/783518930.db2.gz ONMXYDYHIOZFIO-ZNMIVQPWSA-N 2 0 254.418 2.000 10 0 CDAERP CCN(C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000853823666 783540990 /nfs/dbraw/zinc/54/09/90/783540990.db2.gz FNKMRTHWWJVFMN-QLFBSQMISA-N 2 0 296.459 1.595 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CC2)C1 ZINC001691739909 1166851517 /nfs/dbraw/zinc/85/15/17/1166851517.db2.gz ATAKJXARAXYHLN-OKILXGFUSA-N 2 0 267.417 1.223 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@@](C)(C[NH2+]C/C=C\Cl)C1 ZINC001671779824 1167062003 /nfs/dbraw/zinc/06/20/03/1167062003.db2.gz NFYMIIJJGWVZSE-ZBKLQPJUSA-N 2 0 287.835 1.519 10 0 CDAERP C[C@@H]([NH2+]CCO)[C@@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001566536066 1168322431 /nfs/dbraw/zinc/32/24/31/1168322431.db2.gz ZMSSFFTVINKXRD-CABCVRRESA-N 2 0 299.459 1.070 10 0 CDAERP CCC[N@H+](C)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001567288617 1168660027 /nfs/dbraw/zinc/66/00/27/1168660027.db2.gz LUWQDGJAGZHJSL-KBPBESRZSA-N 2 0 267.417 1.461 10 0 CDAERP CC[NH+](CC)CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001567347051 1168694535 /nfs/dbraw/zinc/69/45/35/1168694535.db2.gz NQCOHJYJZUECQQ-ZIAGYGMSSA-N 2 0 267.417 1.461 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)NCC1([NH2+]C(C)C)CC1 ZINC001483738702 913486301 /nfs/dbraw/zinc/48/63/01/913486301.db2.gz HOPKRINPPAZJRD-GFCCVEGCSA-N 2 0 273.396 1.313 10 0 CDAERP CC[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCS(=O)(=O)C1 ZINC000699212105 913593909 /nfs/dbraw/zinc/59/39/09/913593909.db2.gz SRBSBYRXCDGFEA-GSPSYOTPSA-N 2 0 286.441 1.026 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC(C)C)C1)[NH+](C)C ZINC001266325292 894397386 /nfs/dbraw/zinc/39/73/86/894397386.db2.gz LOLKRYSZZJWMDO-QWHCGFSZSA-N 2 0 255.406 1.173 10 0 CDAERP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CCCOC(C)C)C1)[NH+](C)C ZINC001266353414 894521804 /nfs/dbraw/zinc/52/18/04/894521804.db2.gz VFCXVPJDIDDKRC-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC([NH2+]CCCF)C1 ZINC001279229317 896099797 /nfs/dbraw/zinc/09/97/97/896099797.db2.gz MWVYJEWMJBSSIB-YMAMQOFZSA-N 2 0 297.418 1.267 10 0 CDAERP CC(C)(C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])CS(C)(=O)=O ZINC000723880137 896244519 /nfs/dbraw/zinc/24/45/19/896244519.db2.gz XQCXBENRKCAUKF-VXGBXAGGSA-N 2 0 276.446 1.164 10 0 CDAERP [NH3+][C@H]1C[C@@H](C[NH+]2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000693558004 896640668 /nfs/dbraw/zinc/64/06/68/896640668.db2.gz BSAWOAZYUNCSEN-GASCZTMLSA-N 3 0 251.418 1.532 10 0 CDAERP CCCCCC[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001267195799 897105967 /nfs/dbraw/zinc/10/59/67/897105967.db2.gz ONTPVADQCDUXJD-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001418940930 897298288 /nfs/dbraw/zinc/29/82/88/897298288.db2.gz GBCCLOJBAMGGMT-CVEARBPZSA-N 2 0 295.471 1.765 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H](CCO)C1CCCC1 ZINC000725086363 897752152 /nfs/dbraw/zinc/75/21/52/897752152.db2.gz WQONPMXDTLHWPE-HUUCEWRRSA-N 2 0 272.433 1.218 10 0 CDAERP CC[C@H](C(=O)N(C)CC[NH2+]Cc1cncc(C)c1)[NH+](C)C ZINC001267457215 897938643 /nfs/dbraw/zinc/93/86/43/897938643.db2.gz VSWICDLCZRFERZ-OAHLLOKOSA-N 2 0 292.427 1.278 10 0 CDAERP CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](CCC)C1 ZINC001267483172 898128843 /nfs/dbraw/zinc/12/88/43/898128843.db2.gz ZYEJFDZIBTXTSA-CQSZACIVSA-N 2 0 269.433 1.661 10 0 CDAERP CC[NH+](CC)CCCOC(=O)COC1CC[NH+](C)CC1 ZINC000923789009 898701436 /nfs/dbraw/zinc/70/14/36/898701436.db2.gz SAHAWMZKMRGQJB-UHFFFAOYSA-N 2 0 286.416 1.372 10 0 CDAERP C[C@@H](F)CC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001481184012 899079624 /nfs/dbraw/zinc/07/96/24/899079624.db2.gz WZWDLNPXGWKFMO-CYBMUJFWSA-N 2 0 299.434 1.657 10 0 CDAERP CC/C=C\CC[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001267679611 899259764 /nfs/dbraw/zinc/25/97/64/899259764.db2.gz SYSVFAABYPGXKT-FOSCPCJNSA-N 2 0 279.428 1.485 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCCCF)C1 ZINC001267716958 899362492 /nfs/dbraw/zinc/36/24/92/899362492.db2.gz PSHBXMBIIMMIAJ-KKUMJFAQSA-N 2 0 297.418 1.363 10 0 CDAERP Cc1ccc(C[NH2+]CCN(C)C(=O)CCC[NH+](C)C)cc1 ZINC001481272142 899817165 /nfs/dbraw/zinc/81/71/65/899817165.db2.gz CCBVKHYTUHEGCV-UHFFFAOYSA-N 2 0 291.439 1.885 10 0 CDAERP CC(C)NC(=O)CC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925594543 899845228 /nfs/dbraw/zinc/84/52/28/899845228.db2.gz NSCONOVPNNHBKY-GJZGRUSLSA-N 2 0 281.444 1.659 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N[C@@](C)(C[NH2+]CCC2CC2)C2CC2)C1 ZINC001267865708 899904852 /nfs/dbraw/zinc/90/48/52/899904852.db2.gz YPOBFMZFOCXCGG-PBHICJAKSA-N 2 0 293.455 1.613 10 0 CDAERP CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]CCC1CC1)[NH+](C)C ZINC001268071475 901098982 /nfs/dbraw/zinc/09/89/82/901098982.db2.gz PFMXDXHCNOADNK-TZMCWYRMSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)=CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001268142216 901398758 /nfs/dbraw/zinc/39/87/58/901398758.db2.gz OJRPIRALZLJDNS-HOTGVXAUSA-N 2 0 293.455 1.875 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC/C=C\C[NH2+]C[C@@H](C)OC)CC[N@@H+]1C ZINC001268541472 902534911 /nfs/dbraw/zinc/53/49/11/902534911.db2.gz FESQFEIUULQHPA-ANIPRKEASA-N 2 0 297.443 1.014 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268658527 902911343 /nfs/dbraw/zinc/91/13/43/902911343.db2.gz AYNGVTCRWCRGIB-YNEHKIRRSA-N 2 0 255.406 1.221 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C[NH2+]C[C@@H](C)CC)[NH+](C)C ZINC001268693139 902976345 /nfs/dbraw/zinc/97/63/45/902976345.db2.gz QFJNRETXYFJLRW-RWMBFGLXSA-N 2 0 257.422 1.467 10 0 CDAERP O=C(CC[N@H+]1CC[C@H](F)C1)N1CCC[NH+]2CCC[C@H]2C1 ZINC001361954310 903005594 /nfs/dbraw/zinc/00/55/94/903005594.db2.gz WOQUHXNEBGPSPV-KBPBESRZSA-N 2 0 283.391 1.117 10 0 CDAERP CN(CCC[NH2+]Cc1cccnc1)C(=O)C[NH+]1CCCC1 ZINC001268949781 903261700 /nfs/dbraw/zinc/26/17/00/903261700.db2.gz ACDFDDUYCIJEQO-UHFFFAOYSA-N 2 0 290.411 1.116 10 0 CDAERP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CCC1CC1 ZINC001269511505 903876230 /nfs/dbraw/zinc/87/62/30/903876230.db2.gz ZRUUIDUGZXAYTR-CQSZACIVSA-N 2 0 267.417 1.367 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@H](CC[NH2+]CCF)C1)[NH+](C)C ZINC001269740153 904076991 /nfs/dbraw/zinc/07/69/91/904076991.db2.gz CWGRPKZDBYDOKO-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP CC[C@H](C(=O)N1CC[C@H](CC[NH2+]CCF)C1)[NH+](C)C ZINC001280096844 904192487 /nfs/dbraw/zinc/19/24/87/904192487.db2.gz XQWIKYXTRCFXTG-QWHCGFSZSA-N 2 0 273.396 1.124 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCC1CC1 ZINC001270075917 904326657 /nfs/dbraw/zinc/32/66/57/904326657.db2.gz MRUWOCBYMZSOKN-HZPDHXFCSA-N 2 0 293.455 1.851 10 0 CDAERP CC/C=C\CC[NH+]1CC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001567846539 1169014707 /nfs/dbraw/zinc/01/47/07/1169014707.db2.gz XOCWNHIBMUOSJV-XVWMLYKFSA-N 2 0 293.455 1.733 10 0 CDAERP CC/C=C\CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001482317921 904965262 /nfs/dbraw/zinc/96/52/62/904965262.db2.gz AYOSMNJODKACSX-YOVCOIKASA-N 2 0 281.444 1.873 10 0 CDAERP CC[C@H](C(=O)NC[C@]1(C)CCC[N@H+](CC)C1)[NH+](C)C ZINC001270965978 905501625 /nfs/dbraw/zinc/50/16/25/905501625.db2.gz SZUCHCCJMXRREI-HIFRSBDPSA-N 2 0 269.433 1.565 10 0 CDAERP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H](C)CN2CCOCC2)C1 ZINC001364363064 905586933 /nfs/dbraw/zinc/58/69/33/905586933.db2.gz PVZGGICGHSKGLM-IAGOWNOFSA-N 2 0 297.487 1.618 10 0 CDAERP CCCC[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)C(C)C ZINC001271216863 906187103 /nfs/dbraw/zinc/18/71/03/906187103.db2.gz QSCDQNJRGYZZJM-ZDUSSCGKSA-N 2 0 257.422 1.563 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001271528982 906504226 /nfs/dbraw/zinc/50/42/26/906504226.db2.gz DJUFRWJIBJISPY-GJZGRUSLSA-N 2 0 281.444 1.731 10 0 CDAERP COCC1(C[NH2+][C@@H]2CCCc3n[nH]cc32)CC[NH2+]CC1 ZINC000423407787 921301819 /nfs/dbraw/zinc/30/18/19/921301819.db2.gz NFQIFRVGJOULOD-CYBMUJFWSA-N 2 0 278.400 1.393 10 0 CDAERP CCN(CC[NH2+]Cc1cnc(C)o1)C(=O)C[NH+]1CCCC1 ZINC001482967423 908550217 /nfs/dbraw/zinc/55/02/17/908550217.db2.gz QUMIHMUBXWZIPG-UHFFFAOYSA-N 2 0 294.399 1.017 10 0 CDAERP C[C@H](C(=O)NC/C=C\C[NH2+]CCF)[NH+]1CCCCCC1 ZINC001483069364 909264244 /nfs/dbraw/zinc/26/42/44/909264244.db2.gz MDPMDTLDLBYAFV-ZRUQZJFASA-N 2 0 285.407 1.482 10 0 CDAERP CCN1CC[C@H]1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000712595819 909570032 /nfs/dbraw/zinc/57/00/32/909570032.db2.gz AUJVELUWWKFSOR-INIZCTEOSA-N 2 0 274.412 1.734 10 0 CDAERP C[C@H](C[NH2+]Cc1ccccn1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001483140107 909789263 /nfs/dbraw/zinc/78/92/63/909789263.db2.gz HYZWQFFXIZWCON-UKRRQHHQSA-N 2 0 290.411 1.160 10 0 CDAERP CC[C@@H](C(=O)N1CCC(CC[NH2+]CCF)CC1)[NH+](C)C ZINC001568096872 1169134891 /nfs/dbraw/zinc/13/48/91/1169134891.db2.gz OJMAVGNDFZUKBR-AWEZNQCLSA-N 2 0 287.423 1.514 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H]1CC[NH+](C)[C@@H]1C ZINC000922546862 921659200 /nfs/dbraw/zinc/65/92/00/921659200.db2.gz DSUBFGBSPUADFV-MGPQQGTHSA-N 2 0 284.448 1.499 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@@H]2CCCC[C@H]2C2CC2)CC1 ZINC000695970598 911570376 /nfs/dbraw/zinc/57/03/76/911570376.db2.gz ULNCCVNWXGUACQ-JKSUJKDBSA-N 2 0 265.445 1.968 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]CC2CC2)C1 ZINC001484383459 915702825 /nfs/dbraw/zinc/70/28/25/915702825.db2.gz WWGMZXCOEGCHED-DZGCQCFKSA-N 2 0 281.444 1.422 10 0 CDAERP CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+](C)C)C2 ZINC001484831020 916194325 /nfs/dbraw/zinc/19/43/25/916194325.db2.gz NMHTUAIEZKXUSC-HNNXBMFYSA-N 2 0 267.417 1.273 10 0 CDAERP CC[C@@H](F)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001484997062 916361867 /nfs/dbraw/zinc/36/18/67/916361867.db2.gz RCGHSRSMCQAMFS-YNEHKIRRSA-N 2 0 273.396 1.313 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)C[C@@H]([NH3+])C2CC2)CC1 ZINC000828037813 936361067 /nfs/dbraw/zinc/36/10/67/936361067.db2.gz JULGAWVKYIPSJQ-CQSZACIVSA-N 2 0 267.417 1.352 10 0 CDAERP C[C@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]C/C=C/Cl ZINC001485185642 916639081 /nfs/dbraw/zinc/63/90/81/916639081.db2.gz IANOFMOENMFGLE-BIVWETNQSA-N 2 0 275.824 1.564 10 0 CDAERP CC(C)[N@H+](C)[C@@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001485312667 916794869 /nfs/dbraw/zinc/79/48/69/916794869.db2.gz IHJUMEWCQZDPOL-UONOGXRCSA-N 2 0 269.433 1.706 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)CC1CCC1 ZINC001485305248 916818914 /nfs/dbraw/zinc/81/89/14/916818914.db2.gz BMAHBJMWNOQREQ-UMVBOHGHSA-N 2 0 281.444 1.563 10 0 CDAERP CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC001493961235 916941906 /nfs/dbraw/zinc/94/19/06/916941906.db2.gz NMXNWMNVTIOCFH-AWEZNQCLSA-N 2 0 269.433 1.659 10 0 CDAERP CCCC[C@H](C[NH2+]CC)NC(=O)[C@H]1CCc2nccn2C1 ZINC001485465393 916986056 /nfs/dbraw/zinc/98/60/56/916986056.db2.gz JNTMFIYZBJRAEG-UONOGXRCSA-N 2 0 292.427 1.730 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001366385141 917371802 /nfs/dbraw/zinc/37/18/02/917371802.db2.gz GBMMCDMSIJHNTK-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C[NH+](C)CCF)C1 ZINC001366868915 918057359 /nfs/dbraw/zinc/05/73/59/918057359.db2.gz IHJFAECFCYGZEF-CYBMUJFWSA-N 2 0 273.396 1.076 10 0 CDAERP Cc1cc([C@H]([NH3+])CC(=O)N2CC[C@@H](C[NH3+])C2)cc(Cl)n1 ZINC000832554988 936586686 /nfs/dbraw/zinc/58/66/86/936586686.db2.gz WWKQCNOAXGOBMH-CMPLNLGQSA-N 2 0 296.802 1.241 10 0 CDAERP CN(CCC[NH2+]CC1CCCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001276380104 936618130 /nfs/dbraw/zinc/61/81/30/936618130.db2.gz XZPUAGWBIVPJHH-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP CC[C@H](F)C[NH2+][C@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001485956670 920605747 /nfs/dbraw/zinc/60/57/47/920605747.db2.gz ZRCYNPRHYRAYAJ-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP COCC(COC)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000395414386 936694521 /nfs/dbraw/zinc/69/45/21/936694521.db2.gz WULKDWWXVVFYEG-JSGCOSHPSA-N 2 0 256.390 1.112 10 0 CDAERP CC(C)(C)[C@@H](C[NH2+]CCF)NC(=O)CCc1c[nH]cn1 ZINC001486398771 920963704 /nfs/dbraw/zinc/96/37/04/920963704.db2.gz MHJUWOYPAXZWTM-GFCCVEGCSA-N 2 0 284.379 1.432 10 0 CDAERP CC(C)[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)(C)C ZINC001486403443 920987707 /nfs/dbraw/zinc/98/77/07/920987707.db2.gz OJJJVVQBLCTXRF-KBPBESRZSA-N 2 0 283.460 2.000 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCF)CCC1 ZINC001273056964 921850670 /nfs/dbraw/zinc/85/06/70/921850670.db2.gz YYGJRDJGYTZJQS-LBPRGKRZSA-N 2 0 271.380 1.069 10 0 CDAERP C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1cnccn1 ZINC000700058376 922173232 /nfs/dbraw/zinc/17/32/32/922173232.db2.gz JBEKWSVPVYSEIC-AGUYFDCRSA-N 2 0 260.385 1.829 10 0 CDAERP CC[N@@H+]1CC[C@@H](C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000710868822 923252091 /nfs/dbraw/zinc/25/20/91/923252091.db2.gz XUWDDXJUUSFABI-ZDUSSCGKSA-N 2 0 297.443 1.785 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000711261635 923452845 /nfs/dbraw/zinc/45/28/45/923452845.db2.gz QSPBJZYOZQPRSL-GUTXKFCHSA-N 2 0 267.417 1.365 10 0 CDAERP CC[N@H+](C)CCC(=O)NC1C[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC001494477727 923622934 /nfs/dbraw/zinc/62/29/34/923622934.db2.gz WKCJIXYIEGWOQO-QLFBSQMISA-N 2 0 293.455 1.565 10 0 CDAERP CCS[C@H]1CCCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923312289 923730628 /nfs/dbraw/zinc/73/06/28/923730628.db2.gz DEOMBECRKYYTRH-KGLIPLIRSA-N 2 0 284.469 1.973 10 0 CDAERP O=C1CC[C@@H]2C[N@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[C@@H]2N1 ZINC000923389529 923803460 /nfs/dbraw/zinc/80/34/60/923803460.db2.gz CPDADFFTIJEXMI-USNXZVQNSA-N 2 0 291.439 1.508 10 0 CDAERP CCn1nc(C)c(C[N@H+](C)C[C@@H]2CC3(C[NH2+]C3)CO2)c1C ZINC000923414015 923818206 /nfs/dbraw/zinc/81/82/06/923818206.db2.gz YLCAFDDQGKNJJR-AWEZNQCLSA-N 2 0 292.427 1.330 10 0 CDAERP C[C@H](C[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1)C(C)(C)C ZINC000923428104 923824177 /nfs/dbraw/zinc/82/41/77/923824177.db2.gz WFQCCARVSQMCGL-OLZOCXBDSA-N 2 0 254.418 1.979 10 0 CDAERP C[C@@]1([C@H]2CCC[N@H+](CCC[NH2+]C3CC3)C2)COC(=O)N1 ZINC000923433067 923828459 /nfs/dbraw/zinc/82/84/59/923828459.db2.gz VWAUDHLBULDSJF-WFASDCNBSA-N 2 0 281.400 1.339 10 0 CDAERP CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923449224 923842498 /nfs/dbraw/zinc/84/24/98/923842498.db2.gz LTYWYJUHZBQBNY-KGLIPLIRSA-N 2 0 297.443 1.072 10 0 CDAERP COc1ccc(Cl)c(CN2CC[NH2+]CC[NH2+]CC2)c1 ZINC000923463377 923850358 /nfs/dbraw/zinc/85/03/58/923850358.db2.gz RJGXUZHWJWUCCJ-UHFFFAOYSA-N 2 0 283.803 1.343 10 0 CDAERP Cc1cccc(CNC(=O)C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000923496144 923871945 /nfs/dbraw/zinc/87/19/45/923871945.db2.gz HDGAJFVHCGUWMC-ZBFHGGJFSA-N 2 0 289.423 1.528 10 0 CDAERP Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000923515402 923891947 /nfs/dbraw/zinc/89/19/47/923891947.db2.gz TWWVPXSLKMJJNJ-OAGGEKHMSA-N 2 0 292.423 1.570 10 0 CDAERP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000923549335 923922407 /nfs/dbraw/zinc/92/24/07/923922407.db2.gz HWOLUBASSHIAIK-GJZGRUSLSA-N 2 0 270.417 1.095 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001442106061 936972073 /nfs/dbraw/zinc/97/20/73/936972073.db2.gz PRDUZBJJKYRIAA-GJZGRUSLSA-N 2 0 299.434 1.657 10 0 CDAERP CC(=O)C1CC[NH+](CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000846939360 926552552 /nfs/dbraw/zinc/55/25/52/926552552.db2.gz DGPLHCIEIDUXPS-UHFFFAOYSA-N 2 0 295.471 1.704 10 0 CDAERP CCC[NH2+][C@H](CC)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001494999123 926615558 /nfs/dbraw/zinc/61/55/58/926615558.db2.gz GZIDFUPGMBTNKM-KGLIPLIRSA-N 2 0 269.433 1.755 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001488717604 926656186 /nfs/dbraw/zinc/65/61/86/926656186.db2.gz MJSZCPCWWLTALE-FQUUOJAGSA-N 2 0 285.407 1.313 10 0 CDAERP CC[NH+](CC)CC[C@H](CO)NC[C@H](O)c1cccc(F)c1 ZINC000843100634 937112444 /nfs/dbraw/zinc/11/24/44/937112444.db2.gz DVWHJRWWUUMOID-CVEARBPZSA-N 2 0 298.402 1.542 10 0 CDAERP CC(C)[C@H](C(=O)N(C)CCC[NH2+]CC1CC1)[NH+]1CCCC1 ZINC001276404920 937112757 /nfs/dbraw/zinc/11/27/57/937112757.db2.gz MJWFBRPABDBKQW-MRXNPFEDSA-N 2 0 295.471 1.955 10 0 CDAERP CC[NH+](CC)CC[C@@H](CO)NC[C@@H](O)c1ccccc1C ZINC000843103205 937113129 /nfs/dbraw/zinc/11/31/29/937113129.db2.gz KKEUCHNWIJQNIV-DOTOQJQBSA-N 2 0 294.439 1.711 10 0 CDAERP CC(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001489333442 926874699 /nfs/dbraw/zinc/87/46/99/926874699.db2.gz OLOKLADRMXQRFM-HOTGVXAUSA-N 2 0 295.471 1.907 10 0 CDAERP CC(C)[C@H](C(=O)NCCC[N@H+](C)C[C@H]1CCOC1)[NH+](C)C ZINC001490270978 927067508 /nfs/dbraw/zinc/06/75/08/927067508.db2.gz LRBIRILXPCHUMT-HUUCEWRRSA-N 2 0 299.459 1.047 10 0 CDAERP CC[C@H](F)C[NH2+]C1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001411244182 927300128 /nfs/dbraw/zinc/30/01/28/927300128.db2.gz FHAPXHBPWQUEQN-HIFPTAJRSA-N 2 0 273.396 1.265 10 0 CDAERP CC[C@H](C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)CC1)OC ZINC001440399541 927329474 /nfs/dbraw/zinc/32/94/74/927329474.db2.gz UFOBDNDBCUPSTK-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP CCCCCC[C@](O)(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)C(=O)OC ZINC000851732655 927615176 /nfs/dbraw/zinc/61/51/76/927615176.db2.gz WNEDCGUQSNBSFV-FMKPAKJESA-N 2 0 298.427 1.012 10 0 CDAERP COC(CC[N@H+](C)CC[C@H]1CCCC[NH+]1C)OC ZINC000851786779 927627834 /nfs/dbraw/zinc/62/78/34/927627834.db2.gz DQEBSCIZKQTBRI-CYBMUJFWSA-N 2 0 258.406 1.802 10 0 CDAERP COC(=O)N(C)CC[N@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000852759183 927861095 /nfs/dbraw/zinc/86/10/95/927861095.db2.gz KTPQKOMFJWLLED-UHFFFAOYSA-N 2 0 291.395 1.462 10 0 CDAERP C[C@H]1CCC[C@@](CNC(=O)C=C2CC[NH2+]CC2)([NH+](C)C)C1 ZINC000852861724 927897386 /nfs/dbraw/zinc/89/73/86/927897386.db2.gz HUOPHIHTUMISRA-WMLDXEAASA-N 2 0 293.455 1.923 10 0 CDAERP C[C@@H]([NH2+]C1CC1)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000852860822 927897813 /nfs/dbraw/zinc/89/78/13/927897813.db2.gz WDHXZJOIOIUROD-ABAIWWIYSA-N 2 0 289.379 1.427 10 0 CDAERP C[NH2+]C[C@@H](C)NC(=O)C[C@@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000852920439 927917623 /nfs/dbraw/zinc/91/76/23/927917623.db2.gz BOKFBHNWZBDAKN-MWLCHTKSSA-N 2 0 284.791 1.157 10 0 CDAERP Cc1c(C[NH2+]CC2CC[NH+](C)CC2)ccnc1F ZINC000862276765 929395322 /nfs/dbraw/zinc/39/53/22/929395322.db2.gz COHGOKLLGLWGLH-UHFFFAOYSA-N 2 0 251.349 1.961 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@@H]21 ZINC001568515286 1169340944 /nfs/dbraw/zinc/34/09/44/1169340944.db2.gz IYMMPMOCDAGESC-HOTGVXAUSA-N 2 0 293.455 1.827 10 0 CDAERP C[C@@H](C[NH2+]C[C@@H](O)c1ccc(F)cn1)C[NH+]1CCCC1 ZINC000818967053 930747176 /nfs/dbraw/zinc/74/71/76/930747176.db2.gz QXBHPSZQMSIFJH-SWLSCSKDSA-N 2 0 281.375 1.576 10 0 CDAERP O[C@H](C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000819014868 930751899 /nfs/dbraw/zinc/75/18/99/930751899.db2.gz AJHIYIGKKHJOQG-SJLPKXTDSA-N 2 0 288.435 1.912 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2ccc(F)cn2)C1 ZINC000819151785 930762499 /nfs/dbraw/zinc/76/24/99/930762499.db2.gz FAHOBUSNCRSJRN-XJKSGUPXSA-N 2 0 295.402 1.822 10 0 CDAERP CCCC[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001274286837 931487982 /nfs/dbraw/zinc/48/79/82/931487982.db2.gz CHQPBMXFRYAMCW-KBPBESRZSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NC/C=C/C[NH2+]CC2CCC2)CC[N@@H+]1C ZINC001274310085 931489685 /nfs/dbraw/zinc/48/96/85/931489685.db2.gz LMCRUEHHKVLFGJ-BVWQNDCPSA-N 2 0 293.455 1.779 10 0 CDAERP CC[NH2+]C1(C)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001274367901 931494221 /nfs/dbraw/zinc/49/42/21/931494221.db2.gz CEPJVCYWBPVEPW-UHFFFAOYSA-N 2 0 255.406 1.319 10 0 CDAERP COCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001274498450 931504277 /nfs/dbraw/zinc/50/42/77/931504277.db2.gz LMRAKSLPSMGDST-DPOFCPOHSA-N 2 0 297.443 1.015 10 0 CDAERP CC[C@H](F)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001274609658 931519581 /nfs/dbraw/zinc/51/95/81/931519581.db2.gz LKJABUVHBMCXDQ-BEWKBBBFSA-N 2 0 299.434 1.871 10 0 CDAERP CC[NH+](CC)C[C@@H]1CCN(C[C@H]2CN(C3CC3)C(=O)O2)C1 ZINC000844299840 931575088 /nfs/dbraw/zinc/57/50/88/931575088.db2.gz GRAMGRKMKPMBOF-ZFWWWQNUSA-N 2 0 295.427 1.633 10 0 CDAERP CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001411703448 931969651 /nfs/dbraw/zinc/96/96/51/931969651.db2.gz QEWLUHMBIIJGMH-OAGGEKHMSA-N 2 0 295.471 1.955 10 0 CDAERP COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CCCCCC[NH3+] ZINC000846221474 931995113 /nfs/dbraw/zinc/99/51/13/931995113.db2.gz ZBDOCEGLRLQDFS-MCIONIFRSA-N 2 0 268.401 1.779 10 0 CDAERP Cc1nccn1CCCC(=O)NCCC1(C[NH3+])CC1 ZINC000846692133 932113384 /nfs/dbraw/zinc/11/33/84/932113384.db2.gz POTXNOVQORJKLK-UHFFFAOYSA-N 2 0 264.373 1.217 10 0 CDAERP CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)[NH+]3CCCC3)[C@@H]2C1 ZINC001448436585 932171025 /nfs/dbraw/zinc/17/10/25/932171025.db2.gz JSKLPRKATISCBF-ZSOGYDGISA-N 2 0 279.428 1.175 10 0 CDAERP CC[N@@H+]1C[C@H](C)N(C(=O)CC[NH+]2CC[C@@H](F)C2)C[C@@H]1C ZINC001411972375 932188969 /nfs/dbraw/zinc/18/89/69/932188969.db2.gz DVXITGGPEKFVEO-MELADBBJSA-N 2 0 285.407 1.361 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC001412144347 932284735 /nfs/dbraw/zinc/28/47/35/932284735.db2.gz FHMFBCKNNCEKFN-GOEBONIOSA-N 2 0 281.444 1.519 10 0 CDAERP C[C@H](CN[C@H]1CC[NH2+]C[C@H]1C1CCCC1)[NH+](C)C ZINC000925496640 932460716 /nfs/dbraw/zinc/46/07/16/932460716.db2.gz RODXANQGCIQSRP-SNPRPXQTSA-N 2 0 253.434 1.694 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001412528751 932468946 /nfs/dbraw/zinc/46/89/46/932468946.db2.gz QPBNZUPUCFRQAW-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CN(CCC[NH2+]CC1CC1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001276051996 932476064 /nfs/dbraw/zinc/47/60/64/932476064.db2.gz DWOIXVFSXGYHSM-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP CCOC(=O)C[C@@H]1CCC[N@@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC001118242466 937608028 /nfs/dbraw/zinc/60/80/28/937608028.db2.gz DRJBWKCKVCQSJP-JSGCOSHPSA-N 2 0 254.374 1.404 10 0 CDAERP CC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](C3CC3)CC2)C(C)(C)C1 ZINC001412687439 932635006 /nfs/dbraw/zinc/63/50/06/932635006.db2.gz DBVNCXOUMMTQCS-HNNXBMFYSA-N 2 0 293.455 1.707 10 0 CDAERP Cc1cccnc1C[NH2+]CCCN(C)C(=O)CC[NH+](C)C ZINC001276209463 932644348 /nfs/dbraw/zinc/64/43/48/932644348.db2.gz WEWIRKAERWGEDG-UHFFFAOYSA-N 2 0 292.427 1.280 10 0 CDAERP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCC2(OC)OC)CC1 ZINC000924658132 932809615 /nfs/dbraw/zinc/80/96/15/932809615.db2.gz GMISOMPIVYFLBP-HNNXBMFYSA-N 2 0 299.459 1.145 10 0 CDAERP C[C@H]1[C@H](C)OC[C@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000924658558 932809808 /nfs/dbraw/zinc/80/98/08/932809808.db2.gz KQWNJQQLHGGJMZ-SOUVJXGZSA-N 2 0 269.433 1.027 10 0 CDAERP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccnnc2)CC1 ZINC000924952027 932836437 /nfs/dbraw/zinc/83/64/37/932836437.db2.gz MRQWLDCCWKVPRQ-GJZGRUSLSA-N 2 0 291.443 1.401 10 0 CDAERP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000924995475 932841234 /nfs/dbraw/zinc/84/12/34/932841234.db2.gz YZQLQOFYCZAKFN-JONQDZQNSA-N 2 0 263.429 1.567 10 0 CDAERP C[C@H](Cn1cncn1)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925512030 932896501 /nfs/dbraw/zinc/89/65/01/932896501.db2.gz YQNHWEVWYGBRDO-IJLUTSLNSA-N 2 0 251.378 1.162 10 0 CDAERP CC(C)C[C@H](CCO)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925525860 932898341 /nfs/dbraw/zinc/89/83/41/932898341.db2.gz FJXPAQXFNQUKEP-UONOGXRCSA-N 2 0 254.418 1.905 10 0 CDAERP CC[C@H](O)CC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925557063 932905684 /nfs/dbraw/zinc/90/56/84/932905684.db2.gz BCFWWNMTUMXCHC-RRFJBIMHSA-N 2 0 254.418 1.905 10 0 CDAERP CSC1(C[NH2+][C@@H]2CC[NH2+]C23CCC3)CC[NH+](C)CC1 ZINC000925669279 932924068 /nfs/dbraw/zinc/92/40/68/932924068.db2.gz SGPYJTJLTKBMEE-CYBMUJFWSA-N 3 0 283.485 1.688 10 0 CDAERP CCN(C)C(=O)[C@@H]([NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)C(C)C ZINC000925681568 932926285 /nfs/dbraw/zinc/92/62/85/932926285.db2.gz OZNLBTKRAIBGBU-IHRRRGAJSA-N 2 0 283.460 1.985 10 0 CDAERP C[C@H]([NH3+])c1ccc(CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)cc1 ZINC000925701007 932928450 /nfs/dbraw/zinc/92/84/50/932928450.db2.gz YTCWKMTXGQZWHJ-LUGAZPNWSA-N 2 0 271.408 1.792 10 0 CDAERP CC(C)[C@H]1COCC[C@@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000925713262 932931463 /nfs/dbraw/zinc/93/14/63/932931463.db2.gz XAYPEUQXOQGTLG-CABCVRRESA-N 2 0 252.402 1.899 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H]1CCC2(CCOCC2)CO1 ZINC000925736688 932935142 /nfs/dbraw/zinc/93/51/42/932935142.db2.gz NJAXKTBEDLYNPZ-MJBXVCDLSA-N 2 0 270.417 1.678 10 0 CDAERP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925783204 932938841 /nfs/dbraw/zinc/93/88/41/932938841.db2.gz DIZDLMFQVHJFSL-HZSPNIEDSA-N 2 0 250.390 1.353 10 0 CDAERP Cc1cc([C@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)n(C)n1 ZINC000925802998 932940664 /nfs/dbraw/zinc/94/06/64/932940664.db2.gz LOXDVVZQBFJFSI-KGYLQXTDSA-N 2 0 250.390 1.625 10 0 CDAERP CCn1cc([C@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cn1 ZINC000925801117 932940829 /nfs/dbraw/zinc/94/08/29/932940829.db2.gz UMNVQGLSAVFDPS-FRRDWIJNSA-N 2 0 250.390 1.799 10 0 CDAERP C[C@@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)C1C[NH2+]C1 ZINC000925832695 932943333 /nfs/dbraw/zinc/94/33/33/932943333.db2.gz DKMZPKMRFUNFHC-SCZZXKLOSA-N 2 0 253.312 1.067 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC[C@H](N(C)C)C(F)(F)F ZINC000925837598 932944481 /nfs/dbraw/zinc/94/44/81/932944481.db2.gz RCEMKILOPSZSEH-BJDJZHNGSA-N 2 0 297.365 1.211 10 0 CDAERP O=C1O[C@H](C[NH2+][C@@H]2CCC23CCCC3)CC12CC[NH2+]CC2 ZINC000925850806 932945602 /nfs/dbraw/zinc/94/56/02/932945602.db2.gz QJGRVQOKAZQEOU-UONOGXRCSA-N 2 0 292.423 1.984 10 0 CDAERP C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925846019 932946113 /nfs/dbraw/zinc/94/61/13/932946113.db2.gz MYFXEYXXNIOEOD-ZJIFWQFVSA-N 2 0 263.429 1.735 10 0 CDAERP C(CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)CCN1CC[NH2+]CC1 ZINC000925846281 932946187 /nfs/dbraw/zinc/94/61/87/932946187.db2.gz VEDSWYWAGBXANK-IRXDYDNUSA-N 3 0 294.487 1.278 10 0 CDAERP CCC[C@@H](CC)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925859196 932946786 /nfs/dbraw/zinc/94/67/86/932946786.db2.gz WFBCSUVGNVQNTB-OLZOCXBDSA-N 2 0 268.401 1.840 10 0 CDAERP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1cccc2c1OCCO2 ZINC000925874443 932949084 /nfs/dbraw/zinc/94/90/84/932949084.db2.gz JWJPTWVJTZAOCD-HIFRSBDPSA-N 2 0 290.407 1.978 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc2c(c1)C(=O)NCC2 ZINC000926149216 932968771 /nfs/dbraw/zinc/96/87/71/932968771.db2.gz ALZZJPZRGODRDF-FKEKPDDDSA-N 2 0 299.418 1.402 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H](CCO)Cc1ccccc1 ZINC000926356950 932983104 /nfs/dbraw/zinc/98/31/04/932983104.db2.gz FIBQUBJBNDIJGG-KTGAGVNESA-N 2 0 288.435 1.910 10 0 CDAERP C[C@@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+]1CCCCCC1 ZINC000928440094 933144590 /nfs/dbraw/zinc/14/45/90/933144590.db2.gz ASKWYTITPLGECY-HZSPNIEDSA-N 2 0 267.417 1.460 10 0 CDAERP O[C@H](C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)C1(O)CCCC1 ZINC000929719029 933262986 /nfs/dbraw/zinc/26/29/86/933262986.db2.gz LSIGGILFFHKGDF-HZPDHXFCSA-N 2 0 296.455 1.460 10 0 CDAERP c1cc(N2CC[NH+](C[C@@H]3C[C@@H]4COC[C@@H]4O3)CC2)cc[nH+]1 ZINC000929834844 933276108 /nfs/dbraw/zinc/27/61/08/933276108.db2.gz LMPTXVMGAUDPHZ-KBMXLJTQSA-N 2 0 289.379 1.008 10 0 CDAERP C[NH+]1CCC2(CCC[N@H+](C[C@H](O)C3(O)CCC3)C2)CC1 ZINC000930309840 933356497 /nfs/dbraw/zinc/35/64/97/933356497.db2.gz OJEHXGWDLFXXJV-AWEZNQCLSA-N 2 0 282.428 1.070 10 0 CDAERP CO[C@@H](C[NH+]1CCC(O)(C[NH+](C)C)CC1)C1CCCCC1 ZINC000931480272 933569671 /nfs/dbraw/zinc/56/96/71/933569671.db2.gz RVIYVZUQQVJYNP-INIZCTEOSA-N 2 0 298.471 1.970 10 0 CDAERP CCOC(=O)/C=C\CN1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000931682980 933606852 /nfs/dbraw/zinc/60/68/52/933606852.db2.gz CEUDFAUHSAZWTH-WSNITJDQSA-N 2 0 289.379 1.711 10 0 CDAERP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C1([NH+](C)C)CCCC1 ZINC001412931087 935098342 /nfs/dbraw/zinc/09/83/42/935098342.db2.gz RLZWGCGOFAUVGD-GJZGRUSLSA-N 2 0 293.455 1.946 10 0 CDAERP [NH3+]C[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@@H]1C(F)(F)F ZINC000720811861 935248632 /nfs/dbraw/zinc/24/86/32/935248632.db2.gz QUZKVIYXZZIHBD-MXWKQRLJSA-N 2 0 266.307 1.482 10 0 CDAERP CCCCCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001329615339 940640488 /nfs/dbraw/zinc/64/04/88/940640488.db2.gz ZKLAQMFLDDQDQD-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP CC/C=C/CC[N@H+]1C[C@@H]2C(CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001276708498 940801269 /nfs/dbraw/zinc/80/12/69/940801269.db2.gz PQJDUQWONJEQKG-MGVZCLGCSA-N 2 0 293.455 1.588 10 0 CDAERP C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2C)C1CC[NH2+]CC1 ZINC000400321686 940847184 /nfs/dbraw/zinc/84/71/84/940847184.db2.gz BIQCJRYNJDJSLJ-BXUZGUMPSA-N 2 0 262.401 1.775 10 0 CDAERP CC[NH+](CC)CCNC(=O)C1CC[NH+](CC(C)C)CC1 ZINC001362015865 970778296 /nfs/dbraw/zinc/77/82/96/970778296.db2.gz ULAJHTUDFJGNLK-UHFFFAOYSA-N 2 0 283.460 1.812 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]C/C=C\Cl)C1)[NH+](C)C ZINC001277074656 941916078 /nfs/dbraw/zinc/91/60/78/941916078.db2.gz LYJUJNDBEAAJJN-GSNWTGLJSA-N 2 0 287.835 1.564 10 0 CDAERP C[C@@H](CCC[NH2+]CCF)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001277217843 942186301 /nfs/dbraw/zinc/18/63/01/942186301.db2.gz NKYDCSRSPRUXOW-AWEZNQCLSA-N 2 0 299.434 1.706 10 0 CDAERP C[NH+](C)CC1CCN(C(=O)CC[N@@H+]2CC[C@@H](F)C2)CC1 ZINC001362097228 970882625 /nfs/dbraw/zinc/88/26/25/970882625.db2.gz RZCCBRNYRKNTEF-CQSZACIVSA-N 2 0 285.407 1.221 10 0 CDAERP C[C@@H](NC(=O)CCCC[NH+](C)C)C1C[NH+](CC2CCC2)C1 ZINC001282736841 942746793 /nfs/dbraw/zinc/74/67/93/942746793.db2.gz IFHFCLGVPNUOQF-CQSZACIVSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[NH+]1CC([C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001282745178 942749260 /nfs/dbraw/zinc/74/92/60/942749260.db2.gz VDSUQEAASKHSQA-CHWSQXEVSA-N 2 0 267.417 1.175 10 0 CDAERP CCC[NH+]1CC([C@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001282745183 942749398 /nfs/dbraw/zinc/74/93/98/942749398.db2.gz VDSUQEAASKHSQA-STQMWFEESA-N 2 0 267.417 1.175 10 0 CDAERP C[C@H](CCC[NH2+]CC1CC1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001283241116 942865035 /nfs/dbraw/zinc/86/50/35/942865035.db2.gz YJQSCDQLSFQIHH-UONOGXRCSA-N 2 0 281.444 1.613 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CCC[NH2+]CCF ZINC001330986364 942976440 /nfs/dbraw/zinc/97/64/40/942976440.db2.gz CZPWLJQQNHZXFQ-ZIAGYGMSSA-N 2 0 287.423 1.705 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)CC[NH+]2CC[C@H](F)C2)C1 ZINC001362163348 970963852 /nfs/dbraw/zinc/96/38/52/970963852.db2.gz VMRXDHQKGWCUCK-KGLIPLIRSA-N 2 0 285.407 1.267 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)(C)C ZINC001284633310 943229822 /nfs/dbraw/zinc/22/98/22/943229822.db2.gz WHXZNRBGZTYHAV-OLZOCXBDSA-N 2 0 269.433 1.469 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CCCCOC)[C@@H]1C)[NH+](C)C ZINC001264149170 944089410 /nfs/dbraw/zinc/08/94/10/944089410.db2.gz WVOBVBKUEIGUDY-QLFBSQMISA-N 2 0 299.459 1.332 10 0 CDAERP CCOCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001265090233 944226172 /nfs/dbraw/zinc/22/61/72/944226172.db2.gz YCNKJTAQTCCXEJ-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]([NH2+]CCCF)C2CC2)C1 ZINC001265370222 944362538 /nfs/dbraw/zinc/36/25/38/944362538.db2.gz MZTZXPJEFIJQHU-TZMCWYRMSA-N 2 0 285.407 1.172 10 0 CDAERP CC(C)=CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001265926808 944577168 /nfs/dbraw/zinc/57/71/68/944577168.db2.gz KUUONGHZQIHWIM-AWEZNQCLSA-N 2 0 279.428 1.485 10 0 CDAERP CCC[N@H+](CC)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001266108803 944687906 /nfs/dbraw/zinc/68/79/06/944687906.db2.gz GWLUBLYJTIILTE-CYBMUJFWSA-N 2 0 255.406 1.176 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001279204453 944787164 /nfs/dbraw/zinc/78/71/64/944787164.db2.gz MYMWMRVZKWFMFQ-CVEARBPZSA-N 2 0 295.471 1.977 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC001362493233 971335533 /nfs/dbraw/zinc/33/55/33/971335533.db2.gz MPBZQVWIQKDVFS-GDBMZVCRSA-N 2 0 281.444 1.519 10 0 CDAERP CC[C@@H]1C[N@H+](CC)CCN1C(=O)CC[NH+]1CC[C@@H](F)C1 ZINC001362539777 971383456 /nfs/dbraw/zinc/38/34/56/971383456.db2.gz WSYMVILMQDSIEX-ZIAGYGMSSA-N 2 0 285.407 1.363 10 0 CDAERP Cc1ncoc1C[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001479763008 971402544 /nfs/dbraw/zinc/40/25/44/971402544.db2.gz ZXZZFOHTGJHXAZ-ZDUSSCGKSA-N 2 0 294.399 1.015 10 0 CDAERP CC[C@@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)CC=C(C)C)[NH+](C)C ZINC001278873141 948009467 /nfs/dbraw/zinc/00/94/67/948009467.db2.gz AYCOCXMJCGKQQE-GJZGRUSLSA-N 2 0 299.459 1.044 10 0 CDAERP CCOCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001278989697 948520559 /nfs/dbraw/zinc/52/05/59/948520559.db2.gz ODRXAMKFMKXKSE-ZIAGYGMSSA-N 2 0 299.459 1.238 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]CCc1ccccc1 ZINC001569038552 1169607254 /nfs/dbraw/zinc/60/72/54/1169607254.db2.gz NTXLQNUXEBKOBY-OAHLLOKOSA-N 2 0 291.439 1.664 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001278527076 949740742 /nfs/dbraw/zinc/74/07/42/949740742.db2.gz OYVUAJANHDDTGM-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001362800466 971629761 /nfs/dbraw/zinc/62/97/61/971629761.db2.gz ZXDBAGQOLPVYQE-KFWWJZLASA-N 2 0 281.444 1.659 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CCCC1 ZINC001362875453 971685302 /nfs/dbraw/zinc/68/53/02/971685302.db2.gz VXYSJGMEIHUUHE-HUUCEWRRSA-N 2 0 293.455 1.994 10 0 CDAERP CCN1CC[C@@H]1C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001362900168 971710869 /nfs/dbraw/zinc/71/08/69/971710869.db2.gz RAFPDWWDNQIIQI-DZGCQCFKSA-N 2 0 279.428 1.413 10 0 CDAERP CC[C@H](F)C[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001480596205 971800147 /nfs/dbraw/zinc/80/01/47/971800147.db2.gz JGLPLDOMVRKPKH-RYUDHWBXSA-N 2 0 261.385 1.169 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCC2CC2)C1 ZINC001480650872 971825232 /nfs/dbraw/zinc/82/52/32/971825232.db2.gz GNWLRVUSIFTWQQ-HZPDHXFCSA-N 2 0 293.455 1.709 10 0 CDAERP C[NH+](C)[C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCCC2)C1(C)C ZINC001363119357 971904192 /nfs/dbraw/zinc/90/41/92/971904192.db2.gz MONHNRZGYURNJX-STQMWFEESA-N 2 0 281.444 1.706 10 0 CDAERP CC[N@H+](CCCF)CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001493061813 971934760 /nfs/dbraw/zinc/93/47/60/971934760.db2.gz DXOINNNLRQNGID-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[C@H]3C[C@@H](C)C[NH+]3C2)C1 ZINC001363590462 953503821 /nfs/dbraw/zinc/50/38/21/953503821.db2.gz DSRRMNLVFZYZEE-WCVJEAGWSA-N 2 0 293.455 1.707 10 0 CDAERP CC[N@H+](CCNC(=O)C[NH+](C)C(C)C)C[C@@H]1CC[C@@H](C)O1 ZINC001493061497 971935326 /nfs/dbraw/zinc/93/53/26/971935326.db2.gz DZLUKFQZBARXDJ-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001493252809 971996250 /nfs/dbraw/zinc/99/62/50/971996250.db2.gz ADWXCWYBKKJZOA-CVEARBPZSA-N 2 0 295.471 1.812 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001493265296 972001933 /nfs/dbraw/zinc/00/19/33/972001933.db2.gz WJLCTCWUPZGJBC-INIZCTEOSA-N 2 0 293.455 1.711 10 0 CDAERP CC(C)C[NH2+]CC[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001326363056 954339403 /nfs/dbraw/zinc/33/94/03/954339403.db2.gz DXZDLDQWHXOIND-HZPDHXFCSA-N 2 0 295.471 1.812 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](CC[NH2+]C/C=C\Cl)C2)C1 ZINC001326430152 954378207 /nfs/dbraw/zinc/37/82/07/954378207.db2.gz IDPQOMNHAWOLRT-AZJAAYJZSA-N 2 0 299.846 1.519 10 0 CDAERP CC[C@H](F)C[NH2+]CC[C@@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001326446531 954385834 /nfs/dbraw/zinc/38/58/34/954385834.db2.gz OSSLVBKTWSRVSS-KGLIPLIRSA-N 2 0 296.390 1.459 10 0 CDAERP [NH3+]CC1(CCNC(=O)[C@H]([NH3+])C2CCCCC2)CC1 ZINC001326635032 954467302 /nfs/dbraw/zinc/46/73/02/954467302.db2.gz WZELNSFPNGPXQE-GFCCVEGCSA-N 2 0 253.390 1.139 10 0 CDAERP C[C@@H](CN1CCOCC1)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC001364383785 954533198 /nfs/dbraw/zinc/53/31/98/954533198.db2.gz KNNAGINGIVSOSB-MRXNPFEDSA-N 2 0 297.487 1.618 10 0 CDAERP CCN1C[C@H](C)[N@H+](C[C@H](C)CN2CCOCC2)C[C@@H]1C ZINC001364686170 955027831 /nfs/dbraw/zinc/02/78/31/955027831.db2.gz UBLQKUPJHDAHJI-PMPSAXMXSA-N 2 0 283.460 1.369 10 0 CDAERP COCC[NH2+]CCN(C)C(=O)c1sccc1C[NH+](C)C ZINC001493568393 972083805 /nfs/dbraw/zinc/08/38/05/972083805.db2.gz RXJMQUIOVDVZIF-UHFFFAOYSA-N 2 0 299.440 1.118 10 0 CDAERP Cc1cc(F)ccc1C[NH2+][C@@H](C)CNC(=O)CC[NH+](C)C ZINC001491568708 955310022 /nfs/dbraw/zinc/31/00/22/955310022.db2.gz MFSLFJRCOQESCU-ZDUSSCGKSA-N 2 0 295.402 1.680 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CC(F)(F)C1 ZINC001491673264 955380370 /nfs/dbraw/zinc/38/03/70/955380370.db2.gz LFHKVEBIJQJSGY-CMPLNLGQSA-N 2 0 289.370 1.078 10 0 CDAERP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCC[C@]3(CCOC3)O2)C1 ZINC001421552562 955404435 /nfs/dbraw/zinc/40/44/35/955404435.db2.gz ABIJDXIBXMBLEG-YESZJQIVSA-N 2 0 296.455 1.988 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC1CC(C[NH2+]C/C=C\Cl)C1 ZINC001328962105 955582000 /nfs/dbraw/zinc/58/20/00/955582000.db2.gz YQSCWGMWPHCPCY-PLNGDYQASA-N 2 0 287.835 1.564 10 0 CDAERP C[C@H](F)CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001421847614 955590335 /nfs/dbraw/zinc/59/03/35/955590335.db2.gz GSDLRIWNFYUVAB-UONOGXRCSA-N 2 0 299.434 1.705 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001492144375 955653656 /nfs/dbraw/zinc/65/36/56/955653656.db2.gz WMDBXLPMONXBGV-ZIAGYGMSSA-N 2 0 267.417 1.461 10 0 CDAERP CC(C)[NH2+][C@@H](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001493837491 972123467 /nfs/dbraw/zinc/12/34/67/972123467.db2.gz UTSIICOHRTYHNL-ZDUSSCGKSA-N 2 0 269.433 1.563 10 0 CDAERP CCC[NH2+][C@H](C)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001493846731 972124740 /nfs/dbraw/zinc/12/47/40/972124740.db2.gz JOZBWUMAEFOMNJ-CQSZACIVSA-N 2 0 293.455 1.709 10 0 CDAERP CCC(CC)C[N@H+](C)[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001422583624 956172417 /nfs/dbraw/zinc/17/24/17/956172417.db2.gz BOJLIJFLQARGOQ-AWEZNQCLSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCCCC1 ZINC001422681224 956252495 /nfs/dbraw/zinc/25/24/95/956252495.db2.gz QEROIAJCPHDZDT-AWEZNQCLSA-N 2 0 281.444 1.755 10 0 CDAERP C[NH+]1CCC(CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCF)C2)CC1 ZINC001365855822 956407627 /nfs/dbraw/zinc/40/76/27/956407627.db2.gz MEWLFCSDCHCDIE-LSDHHAIUSA-N 2 0 299.434 1.562 10 0 CDAERP C[C@@H](C[N@H+](C)CC1CCC1)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001422864153 956410786 /nfs/dbraw/zinc/41/07/86/956410786.db2.gz SNINZFXHQFYXOK-ZFWWWQNUSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[N@@H+]1C[C@@]2(C)CN(C(=O)CC[NH+](C)C)C[C@@]2(C)C1 ZINC001422874421 956416783 /nfs/dbraw/zinc/41/67/83/956416783.db2.gz JISGRNFOGQFKIG-IYBDPMFKSA-N 2 0 281.444 1.517 10 0 CDAERP CC(C)[NH2+][C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001366035081 956526789 /nfs/dbraw/zinc/52/67/89/956526789.db2.gz RRFCQTJPCCKFNH-CABCVRRESA-N 2 0 279.428 1.221 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N[C@@H](C[NH2+]CC2CCC2)C2CC2)C1 ZINC001423053993 956544400 /nfs/dbraw/zinc/54/44/00/956544400.db2.gz ZKWVKFHIWWNUBP-ZBFHGGJFSA-N 2 0 293.455 1.613 10 0 CDAERP C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CCC1CC1 ZINC001423146820 956624861 /nfs/dbraw/zinc/62/48/61/956624861.db2.gz JNJXDJYGEWFBPC-ZFWWWQNUSA-N 2 0 281.444 1.565 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@H]1CCCC[N@H+]1CCCF ZINC001366204064 956635296 /nfs/dbraw/zinc/63/52/96/956635296.db2.gz CDNRCIYDXWRYFY-CQSZACIVSA-N 2 0 285.407 1.413 10 0 CDAERP Cc1ncc(C[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C)o1 ZINC001366347903 956763118 /nfs/dbraw/zinc/76/31/18/956763118.db2.gz SGDQIKMTXVGHCN-SMDDNHRTSA-N 2 0 296.415 1.164 10 0 CDAERP Cc1cc(C[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C(C)C)sn1 ZINC001366369812 956775023 /nfs/dbraw/zinc/77/50/23/956775023.db2.gz UVLHEWWNOHNSBO-LBPRGKRZSA-N 2 0 298.456 1.386 10 0 CDAERP C[NH+](C)CCC(=O)N1CCCC[C@@]2(CC[N@H+](CCF)C2)C1 ZINC001423557061 956855865 /nfs/dbraw/zinc/85/58/65/956855865.db2.gz FTSNHNVMIMWIFV-INIZCTEOSA-N 2 0 299.434 1.612 10 0 CDAERP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]CC[C@H]1CCCO1 ZINC001366513066 956894023 /nfs/dbraw/zinc/89/40/23/956894023.db2.gz XZUTWXWGMVUSFH-HUUCEWRRSA-N 2 0 297.443 1.136 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C(C)(C)C ZINC001423617352 956906825 /nfs/dbraw/zinc/90/68/25/956906825.db2.gz GDBRNUMDLDDTHQ-UONOGXRCSA-N 2 0 299.459 1.095 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001423954982 957053366 /nfs/dbraw/zinc/05/33/66/957053366.db2.gz UMHQUWJHOQYNGG-GJZGRUSLSA-N 2 0 283.460 1.811 10 0 CDAERP CC[N@H+](C)CCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001316854720 957077925 /nfs/dbraw/zinc/07/79/25/957077925.db2.gz UPKVHFYVKFPDAA-UONOGXRCSA-N 2 0 267.417 1.461 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC[C@@H]2CC[NH+](CCF)C2)CC[N@@H+]1C ZINC001366836299 957216493 /nfs/dbraw/zinc/21/64/93/957216493.db2.gz OKNOSYQSDZETNW-QLFBSQMISA-N 2 0 299.434 1.514 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001367080545 957393282 /nfs/dbraw/zinc/39/32/82/957393282.db2.gz YUJCXHKDIVFCTO-ZIAGYGMSSA-N 2 0 287.423 1.609 10 0 CDAERP CCOCC[NH2+][C@@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001317271032 957394420 /nfs/dbraw/zinc/39/44/20/957394420.db2.gz KHLOAEMHJGFDGG-LSDHHAIUSA-N 2 0 299.459 1.382 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)CC=C(C)C ZINC001317449102 957483713 /nfs/dbraw/zinc/48/37/13/957483713.db2.gz WWWTVPRFPYSUGR-OAHLLOKOSA-N 2 0 281.444 1.875 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[NH+](CCCF)CC1(C)C ZINC001425299155 957509694 /nfs/dbraw/zinc/50/96/94/957509694.db2.gz FMJNCWBYRGSALX-ZDUSSCGKSA-N 2 0 287.423 1.513 10 0 CDAERP C[C@]1(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)CC[NH2+]C1 ZINC001332358723 957529362 /nfs/dbraw/zinc/52/93/62/957529362.db2.gz KZZLSYLCHQFWKG-AWEZNQCLSA-N 3 0 251.418 1.452 10 0 CDAERP CCC(CC)C[NH2+][C@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001425686755 957600216 /nfs/dbraw/zinc/60/02/16/957600216.db2.gz UMPRDOFTRGGZEP-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCOC)[NH+](C)C ZINC001317746609 957652059 /nfs/dbraw/zinc/65/20/59/957652059.db2.gz JQIZOPGPEXUNJV-QLFBSQMISA-N 2 0 297.443 1.038 10 0 CDAERP CC[N@H+](C)CCN(C(=O)C1(C[NH+](C)C)CC1)C(C)C ZINC001332721726 957690432 /nfs/dbraw/zinc/69/04/32/957690432.db2.gz APGZERRTGOLPMH-UHFFFAOYSA-N 2 0 269.433 1.517 10 0 CDAERP CCN1CCO[C@@H](C(=O)N[C@H](C[NH2+]C(C)C)C(C)(C)C)C1 ZINC001426163428 957816298 /nfs/dbraw/zinc/81/62/98/957816298.db2.gz JORFWFOKUYSTOG-ZIAGYGMSSA-N 2 0 299.459 1.236 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+]Cc1ccccc1 ZINC001367269269 957894227 /nfs/dbraw/zinc/89/42/27/957894227.db2.gz LKAUQUIWAZFHFZ-AWEZNQCLSA-N 2 0 277.412 1.480 10 0 CDAERP CC[C@H](F)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001367329314 957933100 /nfs/dbraw/zinc/93/31/00/957933100.db2.gz YSKRIOQMBAPMAJ-KGLIPLIRSA-N 2 0 299.434 1.705 10 0 CDAERP C[NH+](C)[C@H]1CCCN(Cc2cnn(CCF)c2)CC1 ZINC001332990602 957998761 /nfs/dbraw/zinc/99/87/61/957998761.db2.gz LXOXNMFMAWNJAW-AWEZNQCLSA-N 2 0 268.380 1.769 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CC2CC2)C1 ZINC001367456889 958028110 /nfs/dbraw/zinc/02/81/10/958028110.db2.gz WPHNESCSTBGUFJ-GOEBONIOSA-N 2 0 295.471 1.953 10 0 CDAERP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001494848653 972323508 /nfs/dbraw/zinc/32/35/08/972323508.db2.gz SLWMEJKMAGPQEI-OAHLLOKOSA-N 2 0 281.444 1.661 10 0 CDAERP COC[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001494861959 972324971 /nfs/dbraw/zinc/32/49/71/972324971.db2.gz GFXVXEDVUUZFEI-HUUCEWRRSA-N 2 0 299.459 1.286 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1cccc(C)c1)[NH+](C)C ZINC001367679381 958204239 /nfs/dbraw/zinc/20/42/39/958204239.db2.gz CZOPYMLIQXCEOQ-GDBMZVCRSA-N 2 0 291.439 1.930 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NC2(C[NH2+]CCC3CC3)CCCC2)C1 ZINC001318667001 958219312 /nfs/dbraw/zinc/21/93/12/958219312.db2.gz ZZAODJMKEHLPSO-HNNXBMFYSA-N 2 0 293.455 1.757 10 0 CDAERP CC(C)[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001367861620 958439384 /nfs/dbraw/zinc/43/93/84/958439384.db2.gz FTQYNWXHABXNMR-HUUCEWRRSA-N 2 0 283.460 2.000 10 0 CDAERP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)C[NH2+]C/C=C\Cl ZINC001319237944 958449598 /nfs/dbraw/zinc/44/95/98/958449598.db2.gz LHZXVQHWEZAALY-GCLPIYDQSA-N 2 0 287.835 1.423 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001367958019 958516538 /nfs/dbraw/zinc/51/65/38/958516538.db2.gz GFQMFZLATXGLRO-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP Cc1ccccc1C[N@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001367965757 958524367 /nfs/dbraw/zinc/52/43/67/958524367.db2.gz OWDZRAQEZOXKQX-MRXNPFEDSA-N 2 0 289.423 1.637 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001368562482 958967100 /nfs/dbraw/zinc/96/71/00/958967100.db2.gz PTNPKLQTCQCTOZ-OAHLLOKOSA-N 2 0 295.471 1.909 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001368581740 958980647 /nfs/dbraw/zinc/98/06/47/958980647.db2.gz SRWBBBXIVZOCKY-IIAWOOMASA-N 2 0 295.471 1.859 10 0 CDAERP CC[C@@H](C)C[NH2+][C@@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001368745288 959099641 /nfs/dbraw/zinc/09/96/41/959099641.db2.gz QLXUGTBRXFTDNJ-KGLIPLIRSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NCC[C@H](C)[NH2+]Cc1ccns1 ZINC001368756453 959107133 /nfs/dbraw/zinc/10/71/33/959107133.db2.gz VJEYJSNLYLQUAO-LBPRGKRZSA-N 2 0 298.456 1.468 10 0 CDAERP Cc1nnc(CCN2CCC[C@H]([NH+](C)C)CC2)o1 ZINC001334885153 959433786 /nfs/dbraw/zinc/43/37/86/959433786.db2.gz YDNXSOVXPSMQSI-LBPRGKRZSA-N 2 0 252.362 1.337 10 0 CDAERP CCC(CC)C[NH+]1CC([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001369103459 959457444 /nfs/dbraw/zinc/45/74/44/959457444.db2.gz WSXOKXYYWUXBEV-AWEZNQCLSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@@H+]1C[C@@H](NC(=O)CCCn2ccnc2)C(C)(C)C1 ZINC001369126518 959477232 /nfs/dbraw/zinc/47/72/32/959477232.db2.gz VLZYXEGCAIIYLH-CYBMUJFWSA-N 2 0 278.400 1.510 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001369176538 959504795 /nfs/dbraw/zinc/50/47/95/959504795.db2.gz DARZEYFEVGGZLV-AAVRWANBSA-N 2 0 285.407 1.171 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001369248718 959579209 /nfs/dbraw/zinc/57/92/09/959579209.db2.gz PVDSLRZQETXQGU-RRFJBIMHSA-N 2 0 283.460 1.809 10 0 CDAERP C[C@H](F)CC[NH2+]C/C=C/CNC(=O)C1([NH+](C)C)CCC1 ZINC001321092727 959587851 /nfs/dbraw/zinc/58/78/51/959587851.db2.gz RVGOJLKMOORHRC-IHVVCDCBSA-N 2 0 285.407 1.481 10 0 CDAERP CC(C)[NH2+]C[C@](C)(NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001495281285 972462746 /nfs/dbraw/zinc/46/27/46/972462746.db2.gz SNFHEAWNPOTALC-ZQIUZPCESA-N 2 0 295.471 2.000 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001321642293 959886894 /nfs/dbraw/zinc/88/68/94/959886894.db2.gz UNLOBXOVKYTONX-CYBMUJFWSA-N 2 0 269.433 1.469 10 0 CDAERP CC[NH2+]C[C@](C)(NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001495293956 972466091 /nfs/dbraw/zinc/46/60/91/972466091.db2.gz PVSMKUBMWFCLKR-WFASDCNBSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](C[C@H]2CCCCO2)C1 ZINC001370067963 959976647 /nfs/dbraw/zinc/97/66/47/959976647.db2.gz VSLNZIPAVJJUJJ-HUUCEWRRSA-N 2 0 297.443 1.086 10 0 CDAERP CC(C)[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C ZINC001432588521 960117378 /nfs/dbraw/zinc/11/73/78/960117378.db2.gz VFCCBRWIQGGZMC-GJZGRUSLSA-N 2 0 293.455 1.565 10 0 CDAERP CC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1cc(C)ns1)[NH+](C)C ZINC001371366220 972490684 /nfs/dbraw/zinc/49/06/84/972490684.db2.gz VQDZYVNWNMJPKN-YPMHNXCESA-N 2 0 298.456 1.386 10 0 CDAERP CC[C@H](C[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C)OC ZINC001322570599 960263384 /nfs/dbraw/zinc/26/33/84/960263384.db2.gz SDDXRIGBQVJSJS-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP CN(CCC[NH2+]Cc1cccc(F)c1)C(=O)CC[NH+](C)C ZINC001322679083 960295986 /nfs/dbraw/zinc/29/59/86/960295986.db2.gz YCODRHAGJIAWCJ-UHFFFAOYSA-N 2 0 295.402 1.716 10 0 CDAERP CN(CCC[NH2+]CCC(F)(F)F)C(=O)C[NH+]1CCCC1 ZINC001322838145 960337298 /nfs/dbraw/zinc/33/72/98/960337298.db2.gz YKTURRWRFYDPTI-UHFFFAOYSA-N 2 0 295.349 1.473 10 0 CDAERP CCC[NH2+]C[C@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001322998509 960397957 /nfs/dbraw/zinc/39/79/57/960397957.db2.gz AXSWANUDMMNENN-CABCVRRESA-N 2 0 279.428 1.223 10 0 CDAERP CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+](C(C)C)C2)C1 ZINC001433628049 960466786 /nfs/dbraw/zinc/46/67/86/960466786.db2.gz WNMCGOSMRGLQCH-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP COCCCC[N@@H+]1CC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001323245110 960577919 /nfs/dbraw/zinc/57/79/19/960577919.db2.gz CEECXHJODXOMLJ-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001418640885 960840527 /nfs/dbraw/zinc/84/05/27/960840527.db2.gz LXFMIHITTLTEHM-XQLPTFJDSA-N 2 0 299.434 1.703 10 0 CDAERP CC1CC(C[N@@H+]2CC[C@@H](CNC(=O)CC[NH+](C)C)C2)C1 ZINC001418674393 960885711 /nfs/dbraw/zinc/88/57/11/960885711.db2.gz MAANLRYZLZXPHZ-SLTAFYQDSA-N 2 0 281.444 1.422 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)CC[NH+]1CC[C@@H](F)C1 ZINC001434046629 960930205 /nfs/dbraw/zinc/93/02/05/960930205.db2.gz VHPWYPIEUWVQTF-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP O=C(CC[N@H+]1CC[C@@H](F)C1)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC001434118745 960999467 /nfs/dbraw/zinc/99/94/67/960999467.db2.gz KPSDKPTZSMNZIE-MCIONIFRSA-N 2 0 283.391 1.163 10 0 CDAERP CC[C@H](C(=O)NCC1C[NH+](CC[C@H](C)F)C1)[NH+](C)C ZINC001419021195 961270244 /nfs/dbraw/zinc/27/02/44/961270244.db2.gz UVVWMAAEVGIBTG-WCQYABFASA-N 2 0 273.396 1.123 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)[NH+]1CCCC1 ZINC001419189083 961486658 /nfs/dbraw/zinc/48/66/58/961486658.db2.gz JTAQSOOGBNMJDD-HOTGVXAUSA-N 2 0 293.455 1.707 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H]([NH2+]C/C=C/Cl)C1CC1 ZINC001419322760 961606454 /nfs/dbraw/zinc/60/64/54/961606454.db2.gz KVKYYGLKPRDNHT-LVDDQXARSA-N 2 0 287.835 1.564 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001419373548 961640339 /nfs/dbraw/zinc/64/03/39/961640339.db2.gz UKDXLEZYWIGENO-ZQDZILKHSA-N 2 0 299.434 1.846 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(C)no2)C1)[NH+](C)C ZINC001419497637 961764882 /nfs/dbraw/zinc/76/48/82/961764882.db2.gz HVUVEBNEQYFINH-SCRDCRAPSA-N 2 0 294.399 1.060 10 0 CDAERP CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001419752337 962066512 /nfs/dbraw/zinc/06/65/12/962066512.db2.gz UCEMHSOHYFPHTL-UONOGXRCSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC1CC(C)(C)C1 ZINC001419927581 962244006 /nfs/dbraw/zinc/24/40/06/962244006.db2.gz RZAWLUFDUPPGDE-OCCSQVGLSA-N 2 0 281.444 1.469 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1C[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001436976475 962536597 /nfs/dbraw/zinc/53/65/97/962536597.db2.gz IPLVDJCAWQVGEI-GHWTUWNXSA-N 2 0 299.846 1.849 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1C[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001436976483 962540108 /nfs/dbraw/zinc/54/01/08/962540108.db2.gz IPLVDJCAWQVGEI-ITLVMQTFSA-N 2 0 299.846 1.849 10 0 CDAERP COC[C@H](C)[NH2+]CC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001420219891 962594028 /nfs/dbraw/zinc/59/40/28/962594028.db2.gz DXTOLQRCORLXAD-KBPBESRZSA-N 2 0 299.459 1.380 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)CC1CCC1 ZINC001437483482 962942087 /nfs/dbraw/zinc/94/20/87/962942087.db2.gz IKPUUIBEUCNEFD-JKSUJKDBSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@@H](C[N@H+](C)CCC(C)(C)C)NC(=O)[C@@H]1CN(C)CCO1 ZINC001420567697 963073229 /nfs/dbraw/zinc/07/32/29/963073229.db2.gz WJWLTCOYOOGBSR-KBPBESRZSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCC[NH+]2CCC2CC2)C1 ZINC001437681445 963120255 /nfs/dbraw/zinc/12/02/55/963120255.db2.gz STEZTLWMVLSLJO-ZBFHGGJFSA-N 2 0 293.455 1.709 10 0 CDAERP C[C@H](C[N@H+](C)CC1CCC1)NC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001420666205 963173777 /nfs/dbraw/zinc/17/37/77/963173777.db2.gz RVKJZNXXTQESSB-PBHICJAKSA-N 2 0 293.455 1.709 10 0 CDAERP CC[C@H](C(=O)NC[C@H]1CC[N@@H+]1CCCC(C)C)[NH+](C)C ZINC001420842026 963295808 /nfs/dbraw/zinc/29/58/08/963295808.db2.gz OXJWMGZVABAGPV-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP CCN(C(=O)CC[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CC)C1 ZINC001438255265 963388522 /nfs/dbraw/zinc/38/85/22/963388522.db2.gz DSWVVMMRPVWXPP-HUUCEWRRSA-N 2 0 281.444 1.804 10 0 CDAERP CC[C@H](F)C[NH2+][C@@H](CC)CNC(=O)C12CC[NH+](CC1)C2 ZINC001438372478 963433999 /nfs/dbraw/zinc/43/39/99/963433999.db2.gz GQGGSCFSVMLLDX-STQMWFEESA-N 2 0 285.407 1.315 10 0 CDAERP Cc1cc(C[NH2+]C[C@H](C)CNC(=O)C[N@H+](C)C(C)C)on1 ZINC001438545244 963481435 /nfs/dbraw/zinc/48/14/35/963481435.db2.gz AWOPYSZDIMLKKY-LBPRGKRZSA-N 2 0 296.415 1.165 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccsc1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001438635894 963507737 /nfs/dbraw/zinc/50/77/37/963507737.db2.gz MHUNXRMEJSFGKG-JSGCOSHPSA-N 2 0 295.452 1.779 10 0 CDAERP CC(C)C[C@H](C[NH2+]C(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001438743281 963540050 /nfs/dbraw/zinc/54/00/50/963540050.db2.gz SAOMGMVGMUJKPP-CQSZACIVSA-N 2 0 281.444 1.611 10 0 CDAERP Cc1nocc1C[NH2+][C@H](CNC(=O)CC[NH+](C)C)C(C)C ZINC001438827520 963562030 /nfs/dbraw/zinc/56/20/30/963562030.db2.gz ITHNNKKJECAHOC-CQSZACIVSA-N 2 0 296.415 1.165 10 0 CDAERP CC(C)[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC1CC1 ZINC001438829621 963562737 /nfs/dbraw/zinc/56/27/37/963562737.db2.gz PRHPPVIVQDFLPR-UKRRQHHQSA-N 2 0 281.444 1.469 10 0 CDAERP CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C(C)C ZINC001438832408 963564286 /nfs/dbraw/zinc/56/42/86/963564286.db2.gz UCKURFLSMSUKMJ-CABCVRRESA-N 2 0 283.460 2.000 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+]Cc1cc(C)ns1 ZINC001439164162 963660231 /nfs/dbraw/zinc/66/02/31/963660231.db2.gz SHBDGJIUYRAZKB-GFCCVEGCSA-N 2 0 298.456 1.388 10 0 CDAERP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@H+](C)C(C)C ZINC001439676237 963837761 /nfs/dbraw/zinc/83/77/61/963837761.db2.gz NNQHZNWOYIXMPR-GOOCMWNKSA-N 2 0 281.444 1.848 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001439786265 963860923 /nfs/dbraw/zinc/86/09/23/963860923.db2.gz YKJIXSBHPXFHCX-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001439851089 963879621 /nfs/dbraw/zinc/87/96/21/963879621.db2.gz NWEJQESUCPAMNI-DOTOQJQBSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[NH2+]C[C@@]1(C)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001439902540 963891346 /nfs/dbraw/zinc/89/13/46/963891346.db2.gz NYKHQVAYSUCDGO-NVXWUHKLSA-N 2 0 295.471 1.812 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001440349653 963994506 /nfs/dbraw/zinc/99/45/06/963994506.db2.gz HUTYGJXCJHHODA-YDHLFZDLSA-N 2 0 299.434 1.561 10 0 CDAERP C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CCC1CC1 ZINC001440645982 964125994 /nfs/dbraw/zinc/12/59/94/964125994.db2.gz IBGWNTBPKGZYSL-DZGCQCFKSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](C)[NH2+]CC1CC1 ZINC001440825127 964198693 /nfs/dbraw/zinc/19/86/93/964198693.db2.gz CCVNBJUVYKDVGI-CHWSQXEVSA-N 2 0 283.460 1.857 10 0 CDAERP CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001440929339 964269498 /nfs/dbraw/zinc/26/94/98/964269498.db2.gz ADKFUSPXRARAJI-HIFRSBDPSA-N 2 0 281.444 1.850 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCCCO2)C1 ZINC001441441318 964516192 /nfs/dbraw/zinc/51/61/92/964516192.db2.gz PVURVGHOJNYYRN-RBSFLKMASA-N 2 0 297.443 1.133 10 0 CDAERP C[C@@H]1[C@@H]([NH2+]C/C=C/Cl)CCN1C(=O)CC[NH+](C)C ZINC001441816020 964730735 /nfs/dbraw/zinc/73/07/35/964730735.db2.gz CVXVHXHNRFPDJT-SQMDOARZSA-N 2 0 273.808 1.270 10 0 CDAERP CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[N@H+](C)CC)C[C@@H]21 ZINC001441871325 964760361 /nfs/dbraw/zinc/76/03/61/964760361.db2.gz MNMVELOAYTZWMB-SOUVJXGZSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CCC(F)(F)F ZINC001442058106 964850108 /nfs/dbraw/zinc/85/01/08/964850108.db2.gz XEPOLWKXPBMNJI-SNVBAGLBSA-N 2 0 281.322 1.129 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]C[C@@H](F)CC)C1 ZINC001442146658 964888716 /nfs/dbraw/zinc/88/87/16/964888716.db2.gz DTQCGXNLVCXPTH-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)[N@@H+]1CCCN(C(=O)[C@@H](C)CC[NH+](C)C)CC1 ZINC001443102022 965356141 /nfs/dbraw/zinc/35/61/41/965356141.db2.gz TUNVBYLCUKFRAN-AWEZNQCLSA-N 2 0 269.433 1.517 10 0 CDAERP CN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001443332133 965445232 /nfs/dbraw/zinc/44/52/32/965445232.db2.gz GYZHUUMCHZLIQW-ARFHVFGLSA-N 2 0 293.455 1.659 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001443850397 965633819 /nfs/dbraw/zinc/63/38/19/965633819.db2.gz DLPLUXISOCBWOS-GJZGRUSLSA-N 2 0 283.460 1.907 10 0 CDAERP CC(C)CC[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001446176798 966477174 /nfs/dbraw/zinc/47/71/74/966477174.db2.gz SMGLNXUEVYKBQH-UHFFFAOYSA-N 2 0 281.444 1.755 10 0 CDAERP CC[N@H+](C)CCC(=O)NC1CC(C[NH2+]Cc2ccon2)C1 ZINC001447820128 966888063 /nfs/dbraw/zinc/88/80/63/966888063.db2.gz GUXMNBNGEYHEQT-UHFFFAOYSA-N 2 0 294.399 1.001 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)CC1CCOCC1 ZINC001448146162 967015853 /nfs/dbraw/zinc/01/58/53/967015853.db2.gz RFVNJFHKOQXBCH-AWEZNQCLSA-N 2 0 299.459 1.190 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCCC[NH+]2CCCC2)C1 ZINC001539096527 967081348 /nfs/dbraw/zinc/08/13/48/967081348.db2.gz GBSGLKHNOCWOFL-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)C[N@@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001448403226 967096180 /nfs/dbraw/zinc/09/61/80/967096180.db2.gz YQNJMJOPPPLXLA-AWEZNQCLSA-N 2 0 295.471 1.953 10 0 CDAERP CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3([NH+](C)C)CCC3)C[C@H]2C1 ZINC001448460057 967118354 /nfs/dbraw/zinc/11/83/54/967118354.db2.gz JSPDXYAOMLJIIE-KKUMJFAQSA-N 2 0 293.455 1.707 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]CC2CCC2)C1 ZINC001448512040 967135970 /nfs/dbraw/zinc/13/59/70/967135970.db2.gz QPNVRSKTBPXLIP-SHTZXODSSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)CC[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001448771416 967248011 /nfs/dbraw/zinc/24/80/11/967248011.db2.gz FLIJPZMUMRCHAO-CQSZACIVSA-N 2 0 271.449 1.809 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]CC2CC2)C(C)(C)C)C1 ZINC001449325574 967432798 /nfs/dbraw/zinc/43/27/98/967432798.db2.gz NZORKTSHCYNIKT-ZIAGYGMSSA-N 2 0 281.444 1.469 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N[C@@]2(C)C[NH+]3CCC2CC3)C1 ZINC001453168006 968255111 /nfs/dbraw/zinc/25/51/11/968255111.db2.gz UQAKWFNQSRXIEY-UNEWFSDZSA-N 2 0 293.455 1.707 10 0 CDAERP C[NH+](C)[C@@H]1C[C@H](NC(=O)C2([NH+](C)C)CCCC2)C12CCC2 ZINC001454174410 968439630 /nfs/dbraw/zinc/43/96/30/968439630.db2.gz XKLYIZMTTMLJPS-UONOGXRCSA-N 2 0 293.455 1.850 10 0 CDAERP C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1cnc(Cl)n1C ZINC000848911494 969350608 /nfs/dbraw/zinc/35/06/08/969350608.db2.gz GDUACSLXGBMWRP-CMPLNLGQSA-N 2 0 270.808 1.846 10 0 CDAERP CCCC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])NC[C@H]1CCCO1 ZINC000848998278 969391905 /nfs/dbraw/zinc/39/19/05/969391905.db2.gz NYIIFORBBZVYCN-LSDHHAIUSA-N 2 0 296.459 1.934 10 0 CDAERP C([NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)C1([C@H]2CCCCO2)CCC1 ZINC001459330794 969414152 /nfs/dbraw/zinc/41/41/52/969414152.db2.gz HOHCNWGPUUXAQD-SOUVJXGZSA-N 2 0 264.413 1.877 10 0 CDAERP OC1(C[NH+]2CCCCC2)CC[NH+](CCOCC2CC2)CC1 ZINC001460936632 969567762 /nfs/dbraw/zinc/56/77/62/969567762.db2.gz NVDKSBXWSCCERI-UHFFFAOYSA-N 2 0 296.455 1.726 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC001463735757 969748216 /nfs/dbraw/zinc/74/82/16/969748216.db2.gz ZOTHAFBRVSZAKU-CQSZACIVSA-N 2 0 290.411 1.318 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H](C)CC[NH+](C)C)C1 ZINC001465565989 969884015 /nfs/dbraw/zinc/88/40/15/969884015.db2.gz HFBOYUNCRQNBJP-ZIAGYGMSSA-N 2 0 269.433 1.517 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)CC[NH+]2CC[C@@H](F)C2)C1 ZINC001361693281 970430085 /nfs/dbraw/zinc/43/00/85/970430085.db2.gz QQHYOFPMICSIMU-HUUCEWRRSA-N 2 0 299.434 1.657 10 0 CDAERP C[C@H](CCNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CCF ZINC001371774426 972633286 /nfs/dbraw/zinc/63/32/86/972633286.db2.gz SEOHWPRDEHQDOX-CYBMUJFWSA-N 2 0 285.407 1.316 10 0 CDAERP CCC[N@H+](C)CCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001496729907 973072300 /nfs/dbraw/zinc/07/23/00/973072300.db2.gz BCDGOAFLDREUNO-CABCVRRESA-N 2 0 281.444 1.804 10 0 CDAERP C[C@H](CC[NH2+]CC1CC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001497192895 973238791 /nfs/dbraw/zinc/23/87/91/973238791.db2.gz HPWNGMUHKMJVME-YRGRVCCFSA-N 2 0 267.417 1.221 10 0 CDAERP C[C@@H](CC[NH2+]CC1CC1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001497298559 973278998 /nfs/dbraw/zinc/27/89/98/973278998.db2.gz PJQYIZFGJJTINX-AWEZNQCLSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)N2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC001417710042 973314131 /nfs/dbraw/zinc/31/41/31/973314131.db2.gz XHUUPRYYONMPML-HNNXBMFYSA-N 2 0 295.471 1.765 10 0 CDAERP CCN(CC[NH2+]CC(C)C)C(=O)COC1CC[NH+](C)CC1 ZINC001497472137 973361284 /nfs/dbraw/zinc/36/12/84/973361284.db2.gz APRYRMITHNWDES-UHFFFAOYSA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@H](C(=O)N(CC)CC[NH2+]Cc1ccns1)[NH+](C)C ZINC001497485814 973363397 /nfs/dbraw/zinc/36/33/97/973363397.db2.gz GSVXDIDFSDXCDN-CYBMUJFWSA-N 2 0 298.456 1.421 10 0 CDAERP CCN(CC[NH2+]CCC(C)C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001497495761 973366370 /nfs/dbraw/zinc/36/63/70/973366370.db2.gz MXROEUSYPSPSPJ-CQSZACIVSA-N 2 0 269.433 1.422 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001417777812 973376418 /nfs/dbraw/zinc/37/64/18/973376418.db2.gz LTWCFDALITYZFY-MELADBBJSA-N 2 0 287.423 1.559 10 0 CDAERP CCC[NH2+]C/C=C/CNC(=O)C12CCC[NH+]1CCC2 ZINC001497623499 973437915 /nfs/dbraw/zinc/43/79/15/973437915.db2.gz PWWNQECCXXZRPM-ONEGZZNKSA-N 2 0 265.401 1.287 10 0 CDAERP CC(C)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001417899887 973463201 /nfs/dbraw/zinc/46/32/01/973463201.db2.gz QGMPJXUZTKRRDX-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001497764053 973489821 /nfs/dbraw/zinc/48/98/21/973489821.db2.gz NPJNSJZHQLUBNO-YBJDMEARSA-N 2 0 253.390 1.143 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001417943033 973490233 /nfs/dbraw/zinc/49/02/33/973490233.db2.gz HWBPQOCXMVAUDF-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]CCC1CC1)[NH+](C)C ZINC001498056220 973651510 /nfs/dbraw/zinc/65/15/10/973651510.db2.gz PCNIZEDAVIQFKP-JSGCOSHPSA-N 2 0 269.433 1.467 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001373919887 973690255 /nfs/dbraw/zinc/69/02/55/973690255.db2.gz FNKNSCZCWIXFSZ-MGPQQGTHSA-N 2 0 287.423 1.703 10 0 CDAERP C[C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cncs1 ZINC001418396547 973797100 /nfs/dbraw/zinc/79/71/00/973797100.db2.gz QPPNYWQKACMPHZ-DGCLKSJQSA-N 2 0 296.440 1.222 10 0 CDAERP Cc1ccc(C[N@@H+](C)CCNC(=O)CC[NH+](C)C)cc1 ZINC001418495935 973899139 /nfs/dbraw/zinc/89/91/39/973899139.db2.gz WCNYNWOTAJHWLF-UHFFFAOYSA-N 2 0 277.412 1.495 10 0 CDAERP CC[C@@H](C(=O)NCC[N@H+](C)C[C@@H]1CC(C)(C)CO1)[NH+](C)C ZINC001418496875 973902946 /nfs/dbraw/zinc/90/29/46/973902946.db2.gz ZXVAAYTVMSOUIW-KBPBESRZSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)C[N@H+](C)CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001418507019 973911504 /nfs/dbraw/zinc/91/15/04/973911504.db2.gz UDDZGAFOOKTIIE-HUUCEWRRSA-N 2 0 281.444 1.707 10 0 CDAERP CCC[NH2+]C[C@@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001498774298 974057973 /nfs/dbraw/zinc/05/79/73/974057973.db2.gz LWDUDJSIUMRNFA-LSDHHAIUSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H](C[NH2+]CC1CC2(CCC2)C1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001374846581 974145045 /nfs/dbraw/zinc/14/50/45/974145045.db2.gz IRQQPBSYXGUGDR-UKRRQHHQSA-N 2 0 293.455 1.613 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccccc1)[NH+](C)C ZINC001374961073 974190965 /nfs/dbraw/zinc/19/09/65/974190965.db2.gz HFQABZOLDGTCIF-DZGCQCFKSA-N 2 0 277.412 1.621 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001499610371 974275321 /nfs/dbraw/zinc/27/53/21/974275321.db2.gz PFRAQJYLJQCGFM-HOCLYGCPSA-N 2 0 299.434 1.611 10 0 CDAERP CC(C)CC[NH2+]C[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001499920167 974335635 /nfs/dbraw/zinc/33/56/35/974335635.db2.gz ALDVSNARMWWBEI-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[NH2+][C@H]1C[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001375558202 974422767 /nfs/dbraw/zinc/42/27/67/974422767.db2.gz QOVRRNNDJWWOLJ-RBSFLKMASA-N 2 0 281.444 1.469 10 0 CDAERP CCCC[NH+]1CCC(C)(CNC(=O)CC[NH+](C)C)CC1 ZINC001375923262 974508502 /nfs/dbraw/zinc/50/85/02/974508502.db2.gz MVOCDTQHZKGWLO-UHFFFAOYSA-N 2 0 283.460 1.957 10 0 CDAERP CC(C)[NH2+]CC[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001501619345 974608554 /nfs/dbraw/zinc/60/85/54/974608554.db2.gz SYIFCGCUEROFDH-HUUCEWRRSA-N 2 0 281.444 1.565 10 0 CDAERP CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001376380468 974647519 /nfs/dbraw/zinc/64/75/19/974647519.db2.gz VGHCVDJNZGEVSU-JONQDZQNSA-N 2 0 293.455 1.707 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001376461196 974668365 /nfs/dbraw/zinc/66/83/65/974668365.db2.gz DNKQLNCJJDPLJV-KFWWJZLASA-N 2 0 293.455 1.898 10 0 CDAERP CCOCC[N@H+](C)CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001502371488 974728519 /nfs/dbraw/zinc/72/85/19/974728519.db2.gz MYGGBSWCZLVDEM-UHFFFAOYSA-N 2 0 299.459 1.145 10 0 CDAERP CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001502483016 974744801 /nfs/dbraw/zinc/74/48/01/974744801.db2.gz MJOBTNLPOULJJF-ZDUSSCGKSA-N 2 0 267.417 1.461 10 0 CDAERP CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]CC1CCCC1)[NH+](C)C ZINC001376752467 974754764 /nfs/dbraw/zinc/75/47/64/974754764.db2.gz YNSCTNNGNNGMSM-HIFRSBDPSA-N 2 0 283.460 1.857 10 0 CDAERP CCCC[NH2+]CC1(NC(=O)[C@H](CC)[NH+](C)C)CCOCC1 ZINC001502635132 974759955 /nfs/dbraw/zinc/75/99/55/974759955.db2.gz DRCAVEVHAHKPMV-AWEZNQCLSA-N 2 0 299.459 1.382 10 0 CDAERP COC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001502832827 974792574 /nfs/dbraw/zinc/79/25/74/974792574.db2.gz ZUIIKKUPLKEYNF-UONOGXRCSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1ccns1 ZINC001376872546 974797692 /nfs/dbraw/zinc/79/76/92/974797692.db2.gz BQTJRAAXRZPVGV-LLVKDONJSA-N 2 0 284.429 1.078 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001376903456 974810218 /nfs/dbraw/zinc/81/02/18/974810218.db2.gz RCPVGGLHQGEMMK-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NCC[C@H](C)[NH2+]Cc1ccccn1 ZINC001377111710 974888601 /nfs/dbraw/zinc/88/86/01/974888601.db2.gz OVAUIAOBSPBBBT-AWEZNQCLSA-N 2 0 292.427 1.406 10 0 CDAERP COCC[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001505605521 974934465 /nfs/dbraw/zinc/93/44/65/974934465.db2.gz GILJJSVCHWWPBH-ZIAGYGMSSA-N 2 0 299.459 1.380 10 0 CDAERP CC[N@H+](C)CCC(=O)NCC[NH+](C)C[C@@H]1CCO[C@@H](C)C1 ZINC001377239799 974941856 /nfs/dbraw/zinc/94/18/56/974941856.db2.gz CFLNMBDFHFLJQD-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@@H](C)[NH2+]CC1CCC1 ZINC001505733497 974977529 /nfs/dbraw/zinc/97/75/29/974977529.db2.gz UFVMEDYVGMLKHI-CHWSQXEVSA-N 2 0 279.428 1.365 10 0 CDAERP CCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001377671407 975107258 /nfs/dbraw/zinc/10/72/58/975107258.db2.gz CKAHEXFGLPSXTG-JKSUJKDBSA-N 2 0 295.471 1.909 10 0 CDAERP CC(C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)C(C)(C)C1 ZINC001506743819 975215172 /nfs/dbraw/zinc/21/51/72/975215172.db2.gz YHUVQYZJJAKOGG-CQSZACIVSA-N 2 0 281.444 1.706 10 0 CDAERP CC(C)CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001378040615 975215867 /nfs/dbraw/zinc/21/58/67/975215867.db2.gz IVURPDQEZNBFNM-GOEBONIOSA-N 2 0 295.471 1.811 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)CC1CCCC1 ZINC001378039396 975216177 /nfs/dbraw/zinc/21/61/77/975216177.db2.gz FBJXOAIYYMDESI-SQWLQELKSA-N 2 0 295.471 1.953 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC2CCC2)CC1(C)C ZINC001506748336 975216677 /nfs/dbraw/zinc/21/66/77/975216677.db2.gz KDJUMGDQWYMDDZ-CQSZACIVSA-N 2 0 281.444 1.565 10 0 CDAERP O=C(N[C@H]1C[C@H](C[NH2+]CCC2CC2)C1)C12CC[NH+](CC1)C2 ZINC001506901320 975252127 /nfs/dbraw/zinc/25/21/27/975252127.db2.gz ATNVIKCVQJKPDO-SHTZXODSSA-N 2 0 291.439 1.367 10 0 CDAERP C[C@H](CCC[NH2+]CCCF)NC(=O)C12CC[NH+](CC1)C2 ZINC001506945777 975268370 /nfs/dbraw/zinc/26/83/70/975268370.db2.gz HIKGRZCQSRHSQX-CYBMUJFWSA-N 2 0 285.407 1.316 10 0 CDAERP CC[C@@H](C)C[N@H+](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001506961487 975275647 /nfs/dbraw/zinc/27/56/47/975275647.db2.gz RCCZYPRSHGPZCI-CQSZACIVSA-N 2 0 283.460 1.907 10 0 CDAERP C[NH+](C)CCC(=O)NCC[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001404521535 975414828 /nfs/dbraw/zinc/41/48/28/975414828.db2.gz RRRXISSWKCHQPQ-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001507322857 975415490 /nfs/dbraw/zinc/41/54/90/975415490.db2.gz UMSIQLRQSBZCJD-ZFWWWQNUSA-N 2 0 281.444 1.707 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]([NH2+]CCCF)C(C)(C)C2)C1 ZINC001507450112 975474881 /nfs/dbraw/zinc/47/48/81/975474881.db2.gz PWJSHAWFZJOFAR-UONOGXRCSA-N 2 0 299.434 1.514 10 0 CDAERP CC(C)[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC1CC1 ZINC001378936020 975550310 /nfs/dbraw/zinc/55/03/10/975550310.db2.gz AHPPLFRWDGWCOK-FVQBIDKESA-N 2 0 295.471 1.857 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(C)C)C1 ZINC001388756332 975578910 /nfs/dbraw/zinc/57/89/10/975578910.db2.gz BQFMNIFVGBZMEU-LSDHHAIUSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@H](N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001405116180 975630261 /nfs/dbraw/zinc/63/02/61/975630261.db2.gz HMGNHIWQYVFGCS-KBPBESRZSA-N 2 0 299.434 1.752 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001401376337 975631565 /nfs/dbraw/zinc/63/15/65/975631565.db2.gz IKDHKKITKOWMPX-LSDHHAIUSA-N 2 0 283.460 1.907 10 0 CDAERP CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC[C@@H](C)F)C1)[NH+](C)C ZINC001397596914 975648111 /nfs/dbraw/zinc/64/81/11/975648111.db2.gz WQVXGJCKMGVSPV-YIYPIFLZSA-N 2 0 287.423 1.559 10 0 CDAERP CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@H]21 ZINC001379148163 975691987 /nfs/dbraw/zinc/69/19/87/975691987.db2.gz JCMGJVIQAGRZHU-HUUCEWRRSA-N 2 0 281.444 1.659 10 0 CDAERP CC(C)C[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CCCC1 ZINC001405776238 975856946 /nfs/dbraw/zinc/85/69/46/975856946.db2.gz WGNWKUBMUHGETH-UHFFFAOYSA-N 2 0 293.455 1.757 10 0 CDAERP CC(C)[NH+](C)CC(=O)N[C@H](C)C[N@@H+](C)CC[C@H](C)F ZINC001401827331 975940153 /nfs/dbraw/zinc/94/01/53/975940153.db2.gz PFFHYUPWNPWQNA-QWHCGFSZSA-N 2 0 275.412 1.511 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]([NH2+]Cc1nccs1)C1CC1 ZINC001398433255 975982015 /nfs/dbraw/zinc/98/20/15/975982015.db2.gz HFXULSBQDPGPFM-GFCCVEGCSA-N 2 0 296.440 1.079 10 0 CDAERP CC(C)[NH2+][C@@H](CNC(=O)[C@H](C)C[NH+]1CCOCC1)C(C)C ZINC001406066860 975993856 /nfs/dbraw/zinc/99/38/56/975993856.db2.gz IHSWAFKBQZMODJ-CABCVRRESA-N 2 0 299.459 1.094 10 0 CDAERP CC[NH2+][C@H]1CN(C(=O)CCC[NH+]2CCCC2)CC1(C)C ZINC001379732089 976038782 /nfs/dbraw/zinc/03/87/82/976038782.db2.gz YOUJAYCPDAJQNV-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001389905133 976039907 /nfs/dbraw/zinc/03/99/07/976039907.db2.gz WBXLJZSTWLSMOD-CRWXNKLISA-N 2 0 285.407 1.313 10 0 CDAERP C[C@H](C[N@H+](C)CCCF)NC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001379791941 976081953 /nfs/dbraw/zinc/08/19/53/976081953.db2.gz WBTNOKLRIVLSLO-HIFRSBDPSA-N 2 0 285.407 1.268 10 0 CDAERP Cc1nccn1CC(=O)N[C@H]1C[C@@H]([NH2+]CC[C@@H](C)F)C1 ZINC001390010942 976083322 /nfs/dbraw/zinc/08/33/22/976083322.db2.gz HHFFGJAEKXDRTQ-RTXFEEFZSA-N 2 0 282.363 1.176 10 0 CDAERP CC[NH2+]C[C@H]1CCCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001390077902 976113527 /nfs/dbraw/zinc/11/35/27/976113527.db2.gz LVEABDUVYYIZNV-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC001398802272 976154955 /nfs/dbraw/zinc/15/49/55/976154955.db2.gz ZXHNMJLFJZAVBS-ZBFHGGJFSA-N 2 0 293.455 1.709 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@](C)(C[NH2+]CC3CC3)C2)C1 ZINC001402170745 976160348 /nfs/dbraw/zinc/16/03/48/976160348.db2.gz KAEYDOBHWXSSKK-NVXWUHKLSA-N 2 0 293.455 1.566 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccsc1 ZINC001390302973 976215866 /nfs/dbraw/zinc/21/58/66/976215866.db2.gz GEVIBKSTLBEEKC-YPMHNXCESA-N 2 0 281.425 1.437 10 0 CDAERP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC[C@H](C)F ZINC001398951854 976264066 /nfs/dbraw/zinc/26/40/66/976264066.db2.gz PKONZTRIUANYND-NWDGAFQWSA-N 2 0 273.396 1.313 10 0 CDAERP C[C@H](C[N@H+](C)CCCF)NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001406641816 976324344 /nfs/dbraw/zinc/32/43/44/976324344.db2.gz YTNPTBRQDGMERZ-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP CC[C@H](F)C[NH2+][C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001399085948 976329959 /nfs/dbraw/zinc/32/99/59/976329959.db2.gz BSQFLKPOSBDUPJ-KBPBESRZSA-N 2 0 287.423 1.561 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]CC1CC1)C1CCCC1 ZINC001380322672 976346575 /nfs/dbraw/zinc/34/65/75/976346575.db2.gz JVMVCWIPZJLXBV-OAHLLOKOSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)CC1CCCC1 ZINC001492880074 976393978 /nfs/dbraw/zinc/39/39/78/976393978.db2.gz ZJKWPKRTTIWNRC-UHFFFAOYSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@]1(NC(=O)C[NH+]2CCCC2)CC[N@H+](CC2CCCC2)C1 ZINC001380376541 976395889 /nfs/dbraw/zinc/39/58/89/976395889.db2.gz LLPZUKXTCKJQIO-KRWDZBQOSA-N 2 0 293.455 1.853 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C)([NH2+]CCF)CC1 ZINC001402769916 976474610 /nfs/dbraw/zinc/47/46/10/976474610.db2.gz KILMOFBFCLCSMY-CYBMUJFWSA-N 2 0 285.407 1.411 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001406952522 976490440 /nfs/dbraw/zinc/49/04/40/976490440.db2.gz FIXVKTHPSDSHLJ-OLZOCXBDSA-N 2 0 285.407 1.457 10 0 CDAERP CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001380666250 976506187 /nfs/dbraw/zinc/50/61/87/976506187.db2.gz IWAUVVOKYNBOLI-KGLIPLIRSA-N 2 0 279.428 1.319 10 0 CDAERP COc1ccncc1CC(=O)NCC[N@H+](C)CC(C)C ZINC001399505791 976536464 /nfs/dbraw/zinc/53/64/64/976536464.db2.gz XCSJGJHGSLDRGJ-UHFFFAOYSA-N 2 0 279.384 1.337 10 0 CDAERP C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC1CC(C)(C)C1 ZINC001402855937 976539918 /nfs/dbraw/zinc/53/99/18/976539918.db2.gz DZTRMPIFNRMMMJ-ZFWWWQNUSA-N 2 0 295.471 1.859 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CCC1CCCCC1 ZINC001390866526 976566883 /nfs/dbraw/zinc/56/68/83/976566883.db2.gz ZVWKESLDPFMKPA-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)CC[N@H+](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001399578072 976579798 /nfs/dbraw/zinc/57/97/98/976579798.db2.gz LDLOFUPVVQCIOD-UHFFFAOYSA-N 2 0 283.460 1.812 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]C/C=C/Cl ZINC001402997786 976652848 /nfs/dbraw/zinc/65/28/48/976652848.db2.gz FIGSTQLFUREBCB-BYAJROORSA-N 2 0 275.824 1.564 10 0 CDAERP O=C(NCC1([NH2+]CCF)CCC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001407783959 976767700 /nfs/dbraw/zinc/76/77/00/976767700.db2.gz IKYVNOLLDRCFMB-KGLIPLIRSA-N 2 0 297.418 1.601 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001403274875 976846801 /nfs/dbraw/zinc/84/68/01/976846801.db2.gz PDVPFXKCLNDUCG-CABCVRRESA-N 2 0 293.455 1.566 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC2CCC2)[C@@H](C)C1 ZINC001408085116 976908212 /nfs/dbraw/zinc/90/82/12/976908212.db2.gz PKQQJCSDXCFEGB-ZFWWWQNUSA-N 2 0 281.444 1.563 10 0 CDAERP COC[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001403443556 976958150 /nfs/dbraw/zinc/95/81/50/976958150.db2.gz SRRYZQAUKLSDBR-ZQDZILKHSA-N 2 0 299.459 1.092 10 0 CDAERP CC[C@H](C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1)OC ZINC001400279369 976961715 /nfs/dbraw/zinc/96/17/15/976961715.db2.gz OQZHONJNVSHFRO-RBSFLKMASA-N 2 0 299.459 1.332 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001408333405 977012917 /nfs/dbraw/zinc/01/29/17/977012917.db2.gz KEJRIHVLTVCXEM-HUUCEWRRSA-N 2 0 281.444 1.661 10 0 CDAERP CC(C)CC[NH+]1CC([C@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001381806792 977035040 /nfs/dbraw/zinc/03/50/40/977035040.db2.gz RDAKEZBMCNRNHE-AWEZNQCLSA-N 2 0 283.460 1.811 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1CC[NH+](CCC2CC2)C1 ZINC001400613935 977111396 /nfs/dbraw/zinc/11/13/96/977111396.db2.gz PFXHNBJXPDYRSY-HOTGVXAUSA-N 2 0 293.455 1.851 10 0 CDAERP C[N@H+](CCCF)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001381989308 977113088 /nfs/dbraw/zinc/11/30/88/977113088.db2.gz OCSUIINOHISJGN-UHFFFAOYSA-N 2 0 297.418 1.365 10 0 CDAERP CC(C)[NH2+][C@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001381997459 977115977 /nfs/dbraw/zinc/11/59/77/977115977.db2.gz PTTQEUYPIHVZAY-RBSFLKMASA-N 2 0 283.460 1.856 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CC[C@@H](C)F ZINC001403851633 977231587 /nfs/dbraw/zinc/23/15/87/977231587.db2.gz MXQLUDGDGQQUMK-UKRRQHHQSA-N 2 0 299.434 1.514 10 0 CDAERP CC[C@H](F)CN(C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001392280244 977383066 /nfs/dbraw/zinc/38/30/66/977383066.db2.gz RCXUIFNWHHVOTH-HZSPNIEDSA-N 2 0 287.423 1.465 10 0 CDAERP C[C@@H](C[NH2+]CC1CCC1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001392559929 977487433 /nfs/dbraw/zinc/48/74/33/977487433.db2.gz CNLKOHRZHIDDGZ-SWLSCSKDSA-N 2 0 279.428 1.223 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccsc1)NC(=O)C1CC[NH+](C)CC1 ZINC001392591426 977497942 /nfs/dbraw/zinc/49/79/42/977497942.db2.gz IHANNEXMQJVKMH-LBPRGKRZSA-N 2 0 295.452 1.684 10 0 CDAERP C[C@H](F)CC[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001392907080 977649232 /nfs/dbraw/zinc/64/92/32/977649232.db2.gz HDVOOPKVDBJCGJ-KBPBESRZSA-N 2 0 299.434 1.847 10 0 CDAERP CC[NH+]1CCC(C)(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001393079224 977694200 /nfs/dbraw/zinc/69/42/00/977694200.db2.gz JGTIQFBQUFMVMI-ZIAGYGMSSA-N 2 0 281.444 1.850 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@]1(C)CC[NH+](CCC(C)C)C1 ZINC001393126547 977715166 /nfs/dbraw/zinc/71/51/66/977715166.db2.gz XLPSSRDHNUTMBA-MRXNPFEDSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCC1 ZINC001393549850 977831747 /nfs/dbraw/zinc/83/17/47/977831747.db2.gz HRNMGRNVFWZQBX-CHWSQXEVSA-N 2 0 285.407 1.457 10 0 CDAERP CC[C@H](F)C[NH2+]C1(CNC(=O)C[N@H+](C)C(C)C)CCC1 ZINC001393568576 977840011 /nfs/dbraw/zinc/84/00/11/977840011.db2.gz JNEFQWLIEQLMNT-ZDUSSCGKSA-N 2 0 287.423 1.703 10 0 CDAERP Cc1cccnc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001393977797 977992754 /nfs/dbraw/zinc/99/27/54/977992754.db2.gz SOQCIAXIHBFPAC-UONOGXRCSA-N 2 0 292.427 1.325 10 0 CDAERP CC[C@@H](F)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001396923387 978556465 /nfs/dbraw/zinc/55/64/65/978556465.db2.gz KSHDQDSFECRRRF-MGPQQGTHSA-N 2 0 287.423 1.513 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CC1CCC1 ZINC001674992227 1174056422 /nfs/dbraw/zinc/05/64/22/1174056422.db2.gz VJFPNNFPGMDNAQ-GFCCVEGCSA-N 2 0 255.406 1.175 10 0 CDAERP CC(C)CC[NH+]1CC([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001675338592 1174099999 /nfs/dbraw/zinc/09/99/99/1174099999.db2.gz WWLRBEPMBVELGG-ZDUSSCGKSA-N 2 0 269.433 1.421 10 0 CDAERP CCC[NH2+][C@H](C)[C@@H]1CN(C(=O)CCCC[NH+](C)C)CCO1 ZINC001675621565 1174132791 /nfs/dbraw/zinc/13/27/91/1174132791.db2.gz PEGUZGJNPYZHEY-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP C[N@H+](CC(=O)N[C@H]1CC[C@H](C[NH2+]CCCF)C1)C1CCC1 ZINC001676932521 1174295948 /nfs/dbraw/zinc/29/59/48/1174295948.db2.gz QIFREWIKJCUBMW-KBPBESRZSA-N 2 0 299.434 1.705 10 0 CDAERP C[N@H+](CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CCCF)C1)C1CCC1 ZINC001676932524 1174295958 /nfs/dbraw/zinc/29/59/58/1174295958.db2.gz QIFREWIKJCUBMW-ZIAGYGMSSA-N 2 0 299.434 1.705 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001656176556 1171782783 /nfs/dbraw/zinc/78/27/83/1171782783.db2.gz YNVKGDVPMAPODV-MELADBBJSA-N 2 0 267.417 1.223 10 0 CDAERP C[NH+](C)CC1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000252446299 282081646 /nfs/dbraw/zinc/08/16/46/282081646.db2.gz QWZWEQFLUUUAAI-OAGGEKHMSA-N 2 0 293.455 1.707 10 0 CDAERP O[C@H](C[NH2+]C1CCC1)CO[C@@H]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000675079027 539085786 /nfs/dbraw/zinc/08/57/86/539085786.db2.gz DNGZWFNVDPTICO-MYPMTAMASA-N 2 0 268.401 1.037 10 0 CDAERP CCC[NH2+]Cc1sc(CC[NH+](C)C)nc1COC ZINC000082446879 178025357 /nfs/dbraw/zinc/02/53/57/178025357.db2.gz KWJZFUOBJGPFBV-UHFFFAOYSA-N 2 0 271.430 1.893 10 0 CDAERP [NH3+]CC1(CCN[C@@H](c2ncc[nH]2)c2cccnc2)CC1 ZINC000650747157 398174252 /nfs/dbraw/zinc/17/42/52/398174252.db2.gz SYMAJHCHENMIGB-CYBMUJFWSA-N 2 0 271.368 1.613 10 0 CDAERP CCOC(=O)CCCC[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000601324957 342553608 /nfs/dbraw/zinc/55/36/08/342553608.db2.gz SGSQIFQAIHUHKF-ZDUSSCGKSA-N 2 0 256.390 1.923 10 0 CDAERP CCCC[C@H](C[NH3+])NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000418452330 282951285 /nfs/dbraw/zinc/95/12/85/282951285.db2.gz XJPCAKHHEGWNGM-HIFRSBDPSA-N 2 0 282.432 1.289 10 0 CDAERP C[N@H+](CCOC1CCOCC1)C[C@H]1CCC[NH+](C)C1 ZINC000625185010 342039119 /nfs/dbraw/zinc/03/91/19/342039119.db2.gz PUTFQVYJLZBSHI-AWEZNQCLSA-N 2 0 270.417 1.456 10 0 CDAERP CC[C@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000042145611 342056908 /nfs/dbraw/zinc/05/69/08/342056908.db2.gz PVDBGMWZQDTZQZ-AWEZNQCLSA-N 2 0 293.455 1.851 10 0 CDAERP CN(CC1CC[NH+](C)CC1)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000590980770 342612898 /nfs/dbraw/zinc/61/28/98/342612898.db2.gz UTSLOWMZGOKFSB-CQSZACIVSA-N 2 0 282.432 1.064 10 0 CDAERP [NH3+]C1(CNC/C=C\c2ccc(F)cc2)CCOCC1 ZINC000629388642 361893680 /nfs/dbraw/zinc/89/36/80/361893680.db2.gz QWFBINRLBNUPEH-UPHRSURJSA-N 2 0 264.344 1.936 10 0 CDAERP C[C@H](Cc1cccs1)[NH2+]CC1([NH3+])CCOCC1 ZINC000629388162 361905017 /nfs/dbraw/zinc/90/50/17/361905017.db2.gz NWTBQOOXJZOGEQ-LLVKDONJSA-N 2 0 254.399 1.777 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000234716431 536595176 /nfs/dbraw/zinc/59/51/76/536595176.db2.gz UVDZLUJBZVDJTJ-LSDHHAIUSA-N 3 0 271.449 1.594 10 0 CDAERP C[C@H](CCc1ccccc1)[NH2+]CCOCCC[NH3+] ZINC000629398193 361929771 /nfs/dbraw/zinc/92/97/71/361929771.db2.gz OLIGJXPEUIYVHB-CQSZACIVSA-N 2 0 250.386 1.963 10 0 CDAERP CC(C)(C)OC(=O)N[C@@H]1C[NH2+]CC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000669384818 539072618 /nfs/dbraw/zinc/07/26/18/539072618.db2.gz HPBXZBLOXIQOEI-FRRDWIJNSA-N 2 0 283.416 1.489 10 0 CDAERP COCCN1CCC[C@@H]1C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000163449340 539122802 /nfs/dbraw/zinc/12/28/02/539122802.db2.gz NKPQYCKJPCCWDZ-GOEBONIOSA-N 2 0 283.460 1.417 10 0 CDAERP CC(C)C(=O)N1CCC([NH2+][C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000037142572 539141833 /nfs/dbraw/zinc/14/18/33/539141833.db2.gz JUYZEZVNKZMJNK-AWEZNQCLSA-N 2 0 295.471 1.953 10 0 CDAERP C[NH2+]CCCNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000418312695 290650471 /nfs/dbraw/zinc/65/04/71/290650471.db2.gz UMTSDOBWIYBWHY-CQSZACIVSA-N 2 0 282.432 1.256 10 0 CDAERP C[C@H](CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1)[S@@](C)=O ZINC000594932348 342975733 /nfs/dbraw/zinc/97/57/33/342975733.db2.gz ZUQGECWKJSSNGF-MPBGBICISA-N 2 0 292.408 1.514 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000594915980 342985569 /nfs/dbraw/zinc/98/55/69/342985569.db2.gz ZESNSVARLDCDKX-HBJVGIJOSA-N 2 0 266.385 1.258 10 0 CDAERP CCOC(=O)c1nn(C)cc1C[NH2+]CCCC[NH+](C)C ZINC000274524792 365697090 /nfs/dbraw/zinc/69/70/90/365697090.db2.gz ZICBPIVXMVZGDK-UHFFFAOYSA-N 2 0 282.388 1.028 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNc1ccnc(N(C)C)n1 ZINC000077189905 342325466 /nfs/dbraw/zinc/32/54/66/342325466.db2.gz YHVLOCAWXYGIEN-GFCCVEGCSA-N 2 0 263.389 1.829 10 0 CDAERP C[C@H](CCCc1cccnc1)[NH2+]CC1([NH3+])CCOCC1 ZINC000629522114 362141221 /nfs/dbraw/zinc/14/12/21/362141221.db2.gz XVOVWBORBUCBIA-CQSZACIVSA-N 2 0 277.412 1.890 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc(C)nc1C ZINC000629530102 362161319 /nfs/dbraw/zinc/16/13/19/362161319.db2.gz VMHMMERDTXVCRL-LBPRGKRZSA-N 2 0 251.374 1.585 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H]1C[C@H](OCC(C)C)C1(C)C ZINC000629529567 362157333 /nfs/dbraw/zinc/15/73/33/362157333.db2.gz HGJNTAIJNNDAQV-KBPBESRZSA-N 2 0 272.433 1.652 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000629530739 362159843 /nfs/dbraw/zinc/15/98/43/362159843.db2.gz PNZWZQWFJLQTRC-GOEBONIOSA-N 2 0 277.412 1.933 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000629527822 362153201 /nfs/dbraw/zinc/15/32/01/362153201.db2.gz HBENIQQJJISVOM-GZBLMMOJSA-N 2 0 251.418 1.637 10 0 CDAERP Cc1ncc(C[NH2+]CC2CC[NH+](CCN(C)C)CC2)o1 ZINC000628214296 362161995 /nfs/dbraw/zinc/16/19/95/362161995.db2.gz RWQUOAILFQGQKU-UHFFFAOYSA-N 2 0 280.416 1.346 10 0 CDAERP COC[C@H](O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000535788291 282287905 /nfs/dbraw/zinc/28/79/05/282287905.db2.gz SPRCGQMTACPZPE-CQSZACIVSA-N 2 0 258.406 1.046 10 0 CDAERP C[C@H](C(=O)NCCNc1cc[nH+]cc1)[NH+]1CCCCCC1 ZINC000536017249 282297564 /nfs/dbraw/zinc/29/75/64/282297564.db2.gz MXKPPDFMEXLOEM-CQSZACIVSA-N 2 0 290.411 1.296 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000569676561 362298640 /nfs/dbraw/zinc/29/86/40/362298640.db2.gz VMSFILKDCOAXFK-ZBFHGGJFSA-N 2 0 296.459 1.502 10 0 CDAERP CC(C)[N@H+](CCC[NH+]1CCCCC1)C[C@H]1CCC(=O)N1 ZINC000412094778 362368380 /nfs/dbraw/zinc/36/83/80/362368380.db2.gz XHMJBQJQQVCHTH-OAHLLOKOSA-N 2 0 281.444 1.851 10 0 CDAERP COC(=O)C(C)(C)CC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000601970548 344299582 /nfs/dbraw/zinc/29/95/82/344299582.db2.gz LWWNQGGTRQNDAY-LBPRGKRZSA-N 2 0 270.417 1.944 10 0 CDAERP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000263259926 362402994 /nfs/dbraw/zinc/40/29/94/362402994.db2.gz MBKLQLHMJCIANT-HZSPNIEDSA-N 2 0 281.444 1.741 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000262651481 344696845 /nfs/dbraw/zinc/69/68/45/344696845.db2.gz AJQIFIWVCNDZGT-MCIONIFRSA-N 2 0 267.417 1.208 10 0 CDAERP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000263283084 344698487 /nfs/dbraw/zinc/69/84/87/344698487.db2.gz SQMDADBHARKXLC-AIEDFZFUSA-N 2 0 281.444 1.596 10 0 CDAERP [NH3+]C1(CC(=O)NCCC[NH+]2CCCC2)CCCC1 ZINC000084163809 178810948 /nfs/dbraw/zinc/81/09/48/178810948.db2.gz FYPCKYYSTVIBCB-UHFFFAOYSA-N 2 0 253.390 1.250 10 0 CDAERP NC(=[NH2+])SCc1ccccc1CSC(N)=[NH2+] ZINC000031559630 345040059 /nfs/dbraw/zinc/04/00/59/345040059.db2.gz STXLUSHBBQPTKT-UHFFFAOYSA-N 2 0 254.384 1.940 10 0 CDAERP CC[C@@H](C(=O)N1C[C@@H](C)[N@@H+](CC)[C@@H](C)C1)[NH+](C)C ZINC000640614435 362535247 /nfs/dbraw/zinc/53/52/47/362535247.db2.gz WCYICXHNLPNJMW-XQQFMLRXSA-N 2 0 255.406 1.268 10 0 CDAERP C[N@@H+]1CC[C@@]2(CCN(c3nc(N)[nH+]c4c3CCCC4)C2)C1 ZINC000645247138 362569939 /nfs/dbraw/zinc/56/99/39/362569939.db2.gz AMONDIGGHMXBOR-MRXNPFEDSA-N 2 0 287.411 1.300 10 0 CDAERP COCC[N@H+](C)CCC[NH2+]Cc1ccnc(C)c1 ZINC000623357037 346085385 /nfs/dbraw/zinc/08/53/85/346085385.db2.gz WUNPJVMQBYTPIK-UHFFFAOYSA-N 2 0 251.374 1.448 10 0 CDAERP [NH3+]C[C@](O)(C[N@@H+]1CCCc2ccccc2C1)C1CC1 ZINC000085302871 179011464 /nfs/dbraw/zinc/01/14/64/179011464.db2.gz UYRIDHXKOLGCBZ-INIZCTEOSA-N 2 0 260.381 1.535 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H](C)[NH+](C3CC3)C2)C1 ZINC000571534007 362673702 /nfs/dbraw/zinc/67/37/02/362673702.db2.gz DNFPIFCXNINRGC-AGIUHOORSA-N 2 0 265.401 1.070 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000230711210 482558476 /nfs/dbraw/zinc/55/84/76/482558476.db2.gz FOPXGEVIHNYZOV-QWHCGFSZSA-N 2 0 255.406 1.162 10 0 CDAERP Cc1c(C[N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)cnn1C ZINC000571622938 362707589 /nfs/dbraw/zinc/70/75/89/362707589.db2.gz GMXQKSANGAPAOL-DGCLKSJQSA-N 2 0 250.390 1.548 10 0 CDAERP C[C@@H](C(=O)N(C)C)[N@@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403664 179053183 /nfs/dbraw/zinc/05/31/83/179053183.db2.gz QQDOCHJVFYMURZ-DZGCQCFKSA-N 2 0 281.444 1.707 10 0 CDAERP CCCc1nc2c(n1CC[NH+]1CCCC1)CC[NH2+]C2 ZINC000085570955 179096130 /nfs/dbraw/zinc/09/61/30/179096130.db2.gz TVNVQSAMRJSGQU-UHFFFAOYSA-N 2 0 262.401 1.577 10 0 CDAERP COCCOCC[N@@H+]1C[C@H](C2CC2)[NH2+]CC[C@@H]1C ZINC000085626714 179107242 /nfs/dbraw/zinc/10/72/42/179107242.db2.gz ZZYFTXIBMDJSAF-GXTWGEPZSA-N 2 0 256.390 1.112 10 0 CDAERP NC(=[NH2+])NCC[NH+]1CCCN(c2ccccc2)CCC1 ZINC000584604962 346497388 /nfs/dbraw/zinc/49/73/88/346497388.db2.gz QOYQFAZBEGIWJN-UHFFFAOYSA-N 2 0 275.400 1.072 10 0 CDAERP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623478663 347419033 /nfs/dbraw/zinc/41/90/33/347419033.db2.gz TZUCHZSZDZNFBB-XQQFMLRXSA-N 2 0 267.417 1.364 10 0 CDAERP CC[C@@H](C)[C@H]1CN(C[C@@H]2CCCC[N@@H+]2C)CC[NH2+]1 ZINC000086145812 179238608 /nfs/dbraw/zinc/23/86/08/179238608.db2.gz VVIUTLUWCLVLDA-QLFBSQMISA-N 2 0 253.434 1.791 10 0 CDAERP C[C@@H]1C[NH2+][C@](C)(C2CC2)CN1C1CC[NH+](C)CC1 ZINC000086217805 179249267 /nfs/dbraw/zinc/24/92/67/179249267.db2.gz OPLFHUNWFKOMDC-DOMZBBRYSA-N 2 0 251.418 1.543 10 0 CDAERP CC(C)[C@H]1C[NH2+][C@@H](C2CC2)CN1C1CC[NH+](C)CC1 ZINC000086217818 179250030 /nfs/dbraw/zinc/25/00/30/179250030.db2.gz XXRHPGJMJHMJCL-HZPDHXFCSA-N 2 0 265.445 1.789 10 0 CDAERP CC(C)[C@H]1C[NH2+][C@@H](C2CC2)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086259612 179258239 /nfs/dbraw/zinc/25/82/39/179258239.db2.gz NDDATNJYOWZBGR-BRWVUGGUSA-N 2 0 277.456 1.932 10 0 CDAERP CC[C@@H]1CN[C@H](C2CC2)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086259043 179256949 /nfs/dbraw/zinc/25/69/49/179256949.db2.gz IAKLFMCFKFZGNO-CVEARBPZSA-N 2 0 265.445 1.791 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)[C@@H]1CCC[C@@H](C[NH3+])C1 ZINC000104202212 185928752 /nfs/dbraw/zinc/92/87/52/185928752.db2.gz WRRTXFWKSRJNKP-CHWSQXEVSA-N 2 0 255.406 1.162 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C[C@@H](C[NH3+])CC(C)C ZINC000092630324 482629750 /nfs/dbraw/zinc/62/97/50/482629750.db2.gz UHFPLIUFVFJGDS-GJZGRUSLSA-N 2 0 283.460 1.940 10 0 CDAERP C[C@H](CNC(=O)N[C@H]1CCC[N@H+](C)C1)[NH+]1CCC(C)CC1 ZINC000620820904 350338263 /nfs/dbraw/zinc/33/82/63/350338263.db2.gz JARAWSJOPKUVOQ-CABCVRRESA-N 2 0 296.459 1.500 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000629537910 362953563 /nfs/dbraw/zinc/95/35/63/362953563.db2.gz LRJQFAZKRNUURX-AWEZNQCLSA-N 2 0 267.348 1.627 10 0 CDAERP CC[C@@H](C(=O)N1C[C@@H](C)[NH2+][C@@H](CC)C1)[NH+](CC)CC ZINC000620903300 350373721 /nfs/dbraw/zinc/37/37/21/350373721.db2.gz LTBUTQDUEJCPGE-RDBSUJKOSA-N 2 0 269.433 1.706 10 0 CDAERP CC(C)CO[C@H]1C[C@H]([NH2+]CCOCCC[NH3+])C1(C)C ZINC000629541177 362964779 /nfs/dbraw/zinc/96/47/79/362964779.db2.gz XZSFEWXLBFESST-KBPBESRZSA-N 2 0 272.433 1.781 10 0 CDAERP C[NH+](C)C1CCN(CC[NH2+]C[C@@]2(C)CCCS2)CC1 ZINC000628233482 362974262 /nfs/dbraw/zinc/97/42/62/362974262.db2.gz FZEQODCQISHQAE-OAHLLOKOSA-N 2 0 285.501 1.888 10 0 CDAERP O=C1CC[C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)[C@H](c2ccccc2)N1 ZINC000333323371 362973814 /nfs/dbraw/zinc/97/38/14/362973814.db2.gz UWSUZSLXGQLISA-INMHGKMJSA-N 2 0 287.407 1.738 10 0 CDAERP CC(C)(C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(=O)N1CCCC1 ZINC000629548247 362974927 /nfs/dbraw/zinc/97/49/27/362974927.db2.gz NDDRMONHYXPHAX-QLFBSQMISA-N 2 0 293.455 1.613 10 0 CDAERP CCn1cc(CC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cn1 ZINC000621775129 350771315 /nfs/dbraw/zinc/77/13/15/350771315.db2.gz GVFDHNPFNSRDLQ-JKSUJKDBSA-N 2 0 276.428 1.910 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)C1 ZINC000571655159 366013012 /nfs/dbraw/zinc/01/30/12/366013012.db2.gz ZVLWWYMHTDFVRK-ILXRZTDVSA-N 2 0 281.444 1.707 10 0 CDAERP CN(CC[NH+](C)C)c1cc(C[NH3+])c2ccccc2n1 ZINC000111821470 186460421 /nfs/dbraw/zinc/46/04/21/186460421.db2.gz CUZDEMWKHNBDIU-UHFFFAOYSA-N 2 0 258.369 1.691 10 0 CDAERP OCC1(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CCCC1 ZINC000622043616 350948957 /nfs/dbraw/zinc/94/89/57/350948957.db2.gz FTLDTEMFDKGQEW-QLFBSQMISA-N 2 0 282.428 1.286 10 0 CDAERP CCN(C(=O)CC[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](C)C1 ZINC000622138019 351031092 /nfs/dbraw/zinc/03/10/92/351031092.db2.gz CMMWCVPYMCYBJN-GJZGRUSLSA-N 2 0 281.444 1.804 10 0 CDAERP Cc1ccc(CC[C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)o1 ZINC000629565956 363011031 /nfs/dbraw/zinc/01/10/31/363011031.db2.gz RCYWGKHAYLCLTC-HIFRSBDPSA-N 2 0 280.412 1.955 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1ncc(C)c(OC)c1C ZINC000629570860 363018458 /nfs/dbraw/zinc/01/84/58/363018458.db2.gz OBUHNRMAJOVLPB-UHFFFAOYSA-N 2 0 281.400 1.375 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)[C@H]2CCCCO2)CC1 ZINC000623862997 351307729 /nfs/dbraw/zinc/30/77/29/351307729.db2.gz HGSNRFGVINVJSR-BZUAXINKSA-N 2 0 283.460 1.560 10 0 CDAERP C[C@@H]1C[C@@H](C[NH2+]C[C@H](O)C[NH+]2CCCC2)C[C@H](C)O1 ZINC000629579026 363030087 /nfs/dbraw/zinc/03/00/87/363030087.db2.gz YMKWWJVPMBLHRR-XGUBFFRZSA-N 2 0 270.417 1.236 10 0 CDAERP C[C@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)C1CC[NH+](C)CC1 ZINC000624206175 351480617 /nfs/dbraw/zinc/48/06/17/351480617.db2.gz FLQKYNIAZMQGDN-AWEZNQCLSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@@H+]1CCN(C(=O)CC[C@H]2CCCC[NH+]2C)C[C@H]1C ZINC000673036047 482668111 /nfs/dbraw/zinc/66/81/11/482668111.db2.gz JVWYXLNAGRRGIL-HUUCEWRRSA-N 2 0 281.444 1.804 10 0 CDAERP C[NH2+]CCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000418288542 370660149 /nfs/dbraw/zinc/66/01/49/370660149.db2.gz WJTRFYGIIKKLJQ-KGLIPLIRSA-N 2 0 282.432 1.253 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000333894854 363210015 /nfs/dbraw/zinc/21/00/15/363210015.db2.gz YWIAYESRHJOMQK-DOMZBBRYSA-N 2 0 294.443 1.158 10 0 CDAERP C[C@@H](C[NH2+]CC1([NH3+])CCOCC1)Cc1ccccc1 ZINC000629653949 363254071 /nfs/dbraw/zinc/25/40/71/363254071.db2.gz KFNXQGKAYMUYRB-CQSZACIVSA-N 2 0 262.397 1.963 10 0 CDAERP C[C@@H](C[NH2+]CCOCCC[NH3+])Cc1ccccc1 ZINC000629678776 363328665 /nfs/dbraw/zinc/32/86/65/363328665.db2.gz JYSUKEAKVIBZJR-CQSZACIVSA-N 2 0 250.386 1.820 10 0 CDAERP CCCC[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001660180546 1172171941 /nfs/dbraw/zinc/17/19/41/1172171941.db2.gz WSKNQMGCZGPKTN-CHWSQXEVSA-N 2 0 278.400 1.751 10 0 CDAERP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1cccc(-n2ccnn2)c1 ZINC000570199179 363423561 /nfs/dbraw/zinc/42/35/61/363423561.db2.gz OVANWLYAJFJKAR-XEZPLFJOSA-N 2 0 285.395 1.916 10 0 CDAERP CCO[C@H](CC[NH+](C)C)CN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925539255 781933840 /nfs/dbraw/zinc/93/38/40/781933840.db2.gz AJZJRMALTNHMIB-HUUCEWRRSA-N 2 0 283.460 1.608 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCC2(O)CCC2)[C@@H]2CCC[C@H]21 ZINC000368605801 283135541 /nfs/dbraw/zinc/13/55/41/283135541.db2.gz CEIFSLSOUORHPW-MELADBBJSA-N 2 0 252.402 1.754 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCC2(O)CCC2)[C@H]2CCC[C@@H]21 ZINC000368605803 283135640 /nfs/dbraw/zinc/13/56/40/283135640.db2.gz CEIFSLSOUORHPW-RDBSUJKOSA-N 2 0 252.402 1.754 10 0 CDAERP C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)CC1CCCC1 ZINC001660395312 1172208660 /nfs/dbraw/zinc/20/86/60/1172208660.db2.gz GRQCFQUWHQNWLK-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP CCOCC[N@H+](CC)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000107678534 357347656 /nfs/dbraw/zinc/34/76/56/357347656.db2.gz CJDUNFPJBJRHCB-UHFFFAOYSA-N 2 0 297.443 1.088 10 0 CDAERP CCCN1CCC[C@H]1C[NH2+]C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000634714213 357418716 /nfs/dbraw/zinc/41/87/16/357418716.db2.gz IACLRGNFENPNCW-HRCADAONSA-N 2 0 284.444 1.362 10 0 CDAERP COC[C@@H](C)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000189658248 358034163 /nfs/dbraw/zinc/03/41/63/358034163.db2.gz XLIMYBGHOFNWLA-AWEZNQCLSA-N 2 0 270.417 1.313 10 0 CDAERP CC[N@H+](CCF)CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001660529063 1172231688 /nfs/dbraw/zinc/23/16/88/1172231688.db2.gz LJSGGCHXHQDOAC-CQSZACIVSA-N 2 0 285.407 1.126 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000422744486 283318409 /nfs/dbraw/zinc/31/84/09/283318409.db2.gz SZSYJJALABIONI-LSDHHAIUSA-N 3 0 253.434 1.825 10 0 CDAERP CCC(C)(C)NC(=O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000070188441 358923567 /nfs/dbraw/zinc/92/35/67/358923567.db2.gz IYJFKPBIGIDWDI-UHFFFAOYSA-N 2 0 255.406 1.352 10 0 CDAERP c1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)nc1 ZINC000261887969 359078653 /nfs/dbraw/zinc/07/86/53/359078653.db2.gz GBDRLEUGRQLJHP-BZUAXINKSA-N 2 0 275.396 1.371 10 0 CDAERP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1)C1CCCCC1 ZINC000261928122 359092251 /nfs/dbraw/zinc/09/22/51/359092251.db2.gz LISZEGFGACUCEE-WCXIOVBPSA-N 2 0 296.455 1.674 10 0 CDAERP C[C@@H](C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)[NH+]1CCCCCC1 ZINC000261929662 359093047 /nfs/dbraw/zinc/09/30/47/359093047.db2.gz ZVHNUVIVCXLYTQ-HRCADAONSA-N 2 0 293.455 1.709 10 0 CDAERP C[C@@]1(C[NH3+])CCN(C(=O)[C@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000262113182 359134213 /nfs/dbraw/zinc/13/42/13/359134213.db2.gz VUHGRXQHJCSLAA-HIFRSBDPSA-N 2 0 279.359 1.065 10 0 CDAERP CN(CC[C@H]1CCCC[N@@H+]1C)C[C@@]1(C)CC[NH2+]C1 ZINC000262125322 359135209 /nfs/dbraw/zinc/13/52/09/359135209.db2.gz XQMYCFJQSVZNRL-CABCVRRESA-N 2 0 253.434 1.792 10 0 CDAERP CC[C@@H]1CCCCN1C(=O)CN1CCC([NH2+]C)CC1 ZINC000261607324 359295572 /nfs/dbraw/zinc/29/55/72/359295572.db2.gz RSDISZIDTZWHPS-CQSZACIVSA-N 2 0 267.417 1.461 10 0 CDAERP C[NH2+][C@H](C)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309756449 359306651 /nfs/dbraw/zinc/30/66/51/359306651.db2.gz XEAYPKVTCQZZON-HIFRSBDPSA-N 2 0 275.396 1.233 10 0 CDAERP C[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000113512365 359409078 /nfs/dbraw/zinc/40/90/78/359409078.db2.gz TWJWCBLSPSWWQD-IRXDYDNUSA-N 2 0 292.423 1.448 10 0 CDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C[C@H](C)[NH3+] ZINC000261532268 359456069 /nfs/dbraw/zinc/45/60/69/359456069.db2.gz AAEUYQWIWUXNHW-QWHCGFSZSA-N 2 0 263.385 1.360 10 0 CDAERP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCNC(=O)c1ccccc1 ZINC000422914959 359672747 /nfs/dbraw/zinc/67/27/47/359672747.db2.gz WVBQSSFGTTZWNV-GJZGRUSLSA-N 2 0 275.396 1.666 10 0 CDAERP C(CN1CC[NH2+]CC1)[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000423211495 359758626 /nfs/dbraw/zinc/75/86/26/359758626.db2.gz YKFGQMWDYZMHGJ-ARFHVFGLSA-N 2 0 281.444 1.077 10 0 CDAERP C(C1CC[NH+](C[C@H]2COCCO2)CC1)[NH+]1CCCC1 ZINC000336798895 359856638 /nfs/dbraw/zinc/85/66/38/359856638.db2.gz GSOMQCITWOETOX-HNNXBMFYSA-N 2 0 268.401 1.210 10 0 CDAERP C[C@H](C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2)[NH+]1CCCCCC1 ZINC000336513151 363673634 /nfs/dbraw/zinc/67/36/34/363673634.db2.gz UXRHYULWSGNAKL-GDBMZVCRSA-N 2 0 293.455 1.804 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)c2cccnc2)[C@H]2CCC[C@@H]21 ZINC000348233201 359964602 /nfs/dbraw/zinc/96/46/02/359964602.db2.gz USCXVOJVMBKOHP-NCOADZHNSA-N 2 0 289.423 1.620 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCN2CCO[C@@H](C)C2)[C@@H](C)C1 ZINC000337311975 360075725 /nfs/dbraw/zinc/07/57/25/360075725.db2.gz DGZBCIBQINMCFS-JYJNAYRXSA-N 2 0 283.460 1.369 10 0 CDAERP CCCOc1ccc(N2C(=[NH2+])NC(=[NH2+])NC2(C)C)cc1 ZINC000017039700 360112534 /nfs/dbraw/zinc/11/25/34/360112534.db2.gz JHMVJYQSCZTZFN-UHFFFAOYSA-N 2 0 275.356 1.661 10 0 CDAERP COC(=O)[C@H](C1CC1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000088796071 360161437 /nfs/dbraw/zinc/16/14/37/360161437.db2.gz JWMMKXGQDRJWJH-ZDUSSCGKSA-N 2 0 254.374 1.212 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000238000007 360204697 /nfs/dbraw/zinc/20/46/97/360204697.db2.gz JFPSFTPBKXJCDL-PEDHHIEDSA-N 2 0 265.401 1.151 10 0 CDAERP [NH3+]C1CCC([NH2+][C@@H](c2cnn[nH]2)c2ccc(F)cc2)CC1 ZINC000643503630 360512011 /nfs/dbraw/zinc/51/20/11/360512011.db2.gz OQVVASXSVPCIBF-SSDMNJCBSA-N 2 0 289.358 1.893 10 0 CDAERP C[C@H]1CN(CC23CC(C2)C[NH2+]3)CC[N@@H+]1Cc1ccccc1 ZINC000634996478 360626470 /nfs/dbraw/zinc/62/64/70/360626470.db2.gz LARIBEKDRXYRMF-ZLPCBKJTSA-N 2 0 285.435 1.945 10 0 CDAERP CC[NH+]1CCC(NC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000626922889 360638580 /nfs/dbraw/zinc/63/85/80/360638580.db2.gz HTIDIIPTJDCIQQ-IYBDPMFKSA-N 2 0 294.443 1.112 10 0 CDAERP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CCNC2=O)c1 ZINC000179063271 189166020 /nfs/dbraw/zinc/16/60/20/189166020.db2.gz YAXDTDVLIVTZIE-HNNXBMFYSA-N 2 0 275.396 1.507 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC[C@H](CO)C1 ZINC000366193697 361123709 /nfs/dbraw/zinc/12/37/09/361123709.db2.gz VGHTUEYJTARFDK-LSDHHAIUSA-N 2 0 254.418 1.955 10 0 CDAERP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)C1CCOCC1 ZINC000151348819 361193014 /nfs/dbraw/zinc/19/30/14/361193014.db2.gz WQCIWCRHPMHIDQ-ZFWWWQNUSA-N 2 0 270.417 1.238 10 0 CDAERP Cc1cc(C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cs1 ZINC000295331941 239305684 /nfs/dbraw/zinc/30/56/84/239305684.db2.gz ZOPDJGLJPQOFMH-GFCCVEGCSA-N 2 0 267.442 1.782 10 0 CDAERP CN1CCC([NH2+]Cc2cccc3c2CCOC3)CC1 ZINC000631245579 364119069 /nfs/dbraw/zinc/11/90/69/364119069.db2.gz RFBRIJSDUFOFGL-UHFFFAOYSA-N 2 0 260.381 1.943 10 0 CDAERP OC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000229622370 364322805 /nfs/dbraw/zinc/32/28/05/364322805.db2.gz MKTWKABFSASWTI-YJNKXOJESA-N 2 0 252.402 1.754 10 0 CDAERP C[C@H]([NH2+]C[C@@H](c1ccco1)N(C)C)[C@H]1CC[NH2+]C1 ZINC000400331518 364652845 /nfs/dbraw/zinc/65/28/45/364652845.db2.gz BZBBVKYSIHCZSJ-AVGNSLFASA-N 2 0 251.374 1.470 10 0 CDAERP CC[NH+](CC)CC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000514602418 364752941 /nfs/dbraw/zinc/75/29/41/364752941.db2.gz NGTBUWIWUHTMFD-UHFFFAOYSA-N 2 0 261.369 1.613 10 0 CDAERP COC[C@@H](C)C[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000187863153 364845701 /nfs/dbraw/zinc/84/57/01/364845701.db2.gz HXLNGABQQRDXKN-AWEZNQCLSA-N 2 0 271.449 1.132 10 0 CDAERP CC[N@@H+]1CC[C@H](CN[C@@H]2CC[NH+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000353441056 365209195 /nfs/dbraw/zinc/20/91/95/365209195.db2.gz LPFZJLYBMADNQA-KLHDSHLOSA-N 2 0 265.445 1.791 10 0 CDAERP CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353522677 365273796 /nfs/dbraw/zinc/27/37/96/365273796.db2.gz VIPIXLVBNYJEQT-MQLXINIDSA-N 2 0 272.458 1.561 10 0 CDAERP C[C@H](CC1CCCCC1)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000516563536 366869671 /nfs/dbraw/zinc/86/96/71/366869671.db2.gz KKAFXDQMPSJGNW-NVXWUHKLSA-N 2 0 297.487 1.543 10 0 CDAERP CC1CC[NH+](CC(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000354359919 365430486 /nfs/dbraw/zinc/43/04/86/365430486.db2.gz AKBWMEJSCXMDJF-HNNXBMFYSA-N 2 0 279.428 1.413 10 0 CDAERP C[C@@H]([NH2+]CCc1ccc2c(c1)OCCO2)[C@@H]1CC[NH2+]C1 ZINC000400353489 366950669 /nfs/dbraw/zinc/95/06/69/366950669.db2.gz AITVYUDRDRXATC-TZMCWYRMSA-N 2 0 276.380 1.588 10 0 CDAERP CC[NH+]1CCC(CC[NH2+]Cc2cnc(N(C)C)n2C)CC1 ZINC000414363321 241170314 /nfs/dbraw/zinc/17/03/14/241170314.db2.gz XOZQSVITSAQOJT-UHFFFAOYSA-N 2 0 293.459 1.698 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000414698650 241334398 /nfs/dbraw/zinc/33/43/98/241334398.db2.gz XPJDYXRVUQRFIL-LUKYLMHMSA-N 2 0 297.487 1.933 10 0 CDAERP COc1cc(C)c(C[NH2+]CC[C@H]2CC[NH2+]C2)c(C)n1 ZINC000414838101 367137051 /nfs/dbraw/zinc/13/70/51/367137051.db2.gz UYRWQUWNDVODFX-CYBMUJFWSA-N 2 0 263.385 1.796 10 0 CDAERP CC(C)[NH+](CCCNC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1)C(C)C ZINC000626991680 367187902 /nfs/dbraw/zinc/18/79/02/367187902.db2.gz JUJUPGGAZPLGOX-LSDHHAIUSA-N 2 0 298.475 1.935 10 0 CDAERP O=C(NC[C@@H]1CCC[N@@H+](C2CCCC2)C1)[C@H]1CCC[NH2+]1 ZINC000225333923 367269312 /nfs/dbraw/zinc/26/93/12/367269312.db2.gz DUXYZAIHGIUZEG-DZGCQCFKSA-N 2 0 279.428 1.509 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000627012210 367236086 /nfs/dbraw/zinc/23/60/86/367236086.db2.gz UXKNOEDJMOZPBY-KWCYVHTRSA-N 2 0 280.416 1.077 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[NH2+]1 ZINC000627053202 367311085 /nfs/dbraw/zinc/31/10/85/367311085.db2.gz ZGJKRHUOEZRYPV-YJBUHQLJSA-N 2 0 280.416 1.051 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000627060441 367319058 /nfs/dbraw/zinc/31/90/58/367319058.db2.gz ITXXWEIGWNDYCG-HZSPNIEDSA-N 2 0 282.432 1.158 10 0 CDAERP C[C@H]1CC[C@H](NC(=O)NCC[NH2+]C2CCCCCC2)C[NH2+]1 ZINC000627080971 367382166 /nfs/dbraw/zinc/38/21/66/367382166.db2.gz UFGDXZWAPYOIDJ-ZFWWWQNUSA-N 2 0 296.459 1.739 10 0 CDAERP CC1=CC[NH+](CCNC(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000358184746 367497274 /nfs/dbraw/zinc/49/72/74/367497274.db2.gz GRWQJPMDVNITCL-UHFFFAOYSA-N 2 0 280.416 1.032 10 0 CDAERP CC1=CC[NH+](CCN[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000358216699 367517817 /nfs/dbraw/zinc/51/78/17/367517817.db2.gz ADXLYJMZEUGCRR-CABCVRRESA-N 2 0 251.418 1.711 10 0 CDAERP CC(C)[NH2+][C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001661183066 1172349799 /nfs/dbraw/zinc/34/97/99/1172349799.db2.gz QWXXJJRSSWNHOA-JSGCOSHPSA-N 2 0 267.417 1.221 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000627164624 367596926 /nfs/dbraw/zinc/59/69/26/367596926.db2.gz FZAOPVSLZSFNLV-BARDWOONSA-N 2 0 296.459 1.499 10 0 CDAERP CC1CC[NH+](CCNC(=O)N[C@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000417007164 242262999 /nfs/dbraw/zinc/26/29/99/242262999.db2.gz GTPFYURXMVNHML-KGLIPLIRSA-N 2 0 282.432 1.016 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000417033787 242283064 /nfs/dbraw/zinc/28/30/64/242283064.db2.gz FRHXNWSOSAQLLO-KKUMJFAQSA-N 2 0 296.459 1.630 10 0 CDAERP CC[N@H+](CCNC(=O)N[C@H]1CC[NH2+]C[C@H]1C)C(C)C ZINC000417468427 242487348 /nfs/dbraw/zinc/48/73/48/242487348.db2.gz XXCMOYFUCWUVSW-OLZOCXBDSA-N 2 0 270.421 1.014 10 0 CDAERP CC[C@@H]1C[N@H+](CC)CCN1C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627207985 367709565 /nfs/dbraw/zinc/70/95/65/367709565.db2.gz VGPGREYLQQXUJH-HZSPNIEDSA-N 2 0 282.432 1.253 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)C[NH2+]1 ZINC000627210381 367709850 /nfs/dbraw/zinc/70/98/50/367709850.db2.gz PYIYERDHROLKQI-AGIUHOORSA-N 2 0 282.432 1.299 10 0 CDAERP CCC[C@](C)([NH3+])C(=O)N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000262587169 284003735 /nfs/dbraw/zinc/00/37/35/284003735.db2.gz SWVKNNVITVZUFM-LOWVWBTDSA-N 2 0 273.446 1.008 10 0 CDAERP CC[NH+](CC)CCN(CC(C)C)C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638071416 368029513 /nfs/dbraw/zinc/02/95/13/368029513.db2.gz JGUMEYVOSWGGBH-OAHLLOKOSA-N 2 0 281.444 1.860 10 0 CDAERP CC[N@@H+]1CC[C@H](NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000328227181 368071410 /nfs/dbraw/zinc/07/14/10/368071410.db2.gz CAQMZQBRICYLEA-AWEZNQCLSA-N 2 0 253.434 1.933 10 0 CDAERP [NH3+][C@H](CNC(=O)NCC1([NH3+])CCCCCC1)C1CC1 ZINC000418286075 242896022 /nfs/dbraw/zinc/89/60/22/242896022.db2.gz QMMXYMUBPGQYPK-GFCCVEGCSA-N 2 0 268.405 1.075 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)NCC(F)(F)CN)cc1 ZINC000418443577 243084997 /nfs/dbraw/zinc/08/49/97/243084997.db2.gz APVVLMVYNQAVLT-SECBINFHSA-N 2 0 286.326 1.100 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[NH2+][C@@H](C)[C@H]2C)cc1 ZINC000418466816 243111896 /nfs/dbraw/zinc/11/18/96/243111896.db2.gz RVYLMJUWPWTVDH-RWMBFGLXSA-N 2 0 290.411 1.598 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000418554934 243210955 /nfs/dbraw/zinc/21/09/55/243210955.db2.gz DKZFLOSVOLLICC-MCIONIFRSA-N 2 0 282.432 1.110 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)CC[NH2+]C(C)C)[C@@H](C)C1 ZINC000571169742 294382010 /nfs/dbraw/zinc/38/20/10/294382010.db2.gz ZCGLABYWYQHUAW-KBPBESRZSA-N 2 0 269.433 1.563 10 0 CDAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418579623 243233255 /nfs/dbraw/zinc/23/32/55/243233255.db2.gz RRJNRPZNHZMBJX-XDQVBPFNSA-N 2 0 282.432 1.049 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000418711245 243365149 /nfs/dbraw/zinc/36/51/49/243365149.db2.gz WGPSGQKSYBOYBC-XUXIUFHCSA-N 2 0 282.432 1.286 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@H]1C1(O)CC1 ZINC000567234569 370925893 /nfs/dbraw/zinc/92/58/93/370925893.db2.gz XWBWAIQATAFQHP-KGLIPLIRSA-N 2 0 252.402 1.850 10 0 CDAERP CC1=C(C)C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000361602053 368929705 /nfs/dbraw/zinc/92/97/05/368929705.db2.gz HZVMWJJQOXDVPF-UHFFFAOYSA-N 2 0 291.439 1.772 10 0 CDAERP Cc1nc2ccc(C[NH2+]CCN3CC[NH2+]CC3)cc2s1 ZINC000414885895 368935513 /nfs/dbraw/zinc/93/55/13/368935513.db2.gz PLYZMCGSLZKPFI-UHFFFAOYSA-N 2 0 290.436 1.600 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCNC(=O)C2CCC2)[C@H]2CCC[C@H]21 ZINC000367616080 369200377 /nfs/dbraw/zinc/20/03/77/369200377.db2.gz NHIDVYKRODWQOE-OWCLPIDISA-N 2 0 293.455 1.755 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000368260445 369414449 /nfs/dbraw/zinc/41/44/49/369414449.db2.gz QSAMDNIONMQODJ-IUODEOHRSA-N 2 0 287.423 1.655 10 0 CDAERP CCC[C@H](C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1)[NH+](C)C ZINC000135995628 369771151 /nfs/dbraw/zinc/77/11/51/369771151.db2.gz BJDNNPSRXPTXAN-RRFJBIMHSA-N 2 0 283.460 1.953 10 0 CDAERP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)C12CCOCC2 ZINC000249066400 370119017 /nfs/dbraw/zinc/11/90/17/370119017.db2.gz ZNCPJMFBZIJMGJ-BZUAXINKSA-N 2 0 296.455 1.892 10 0 CDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC[C@H]2CCCO2)CC1 ZINC000249511175 370157041 /nfs/dbraw/zinc/15/70/41/370157041.db2.gz ZZZMLZTYBMNRBR-GOEBONIOSA-N 2 0 284.444 1.580 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000564949525 370307430 /nfs/dbraw/zinc/30/74/30/370307430.db2.gz XJBZOMYFIJPTCZ-HIFRSBDPSA-N 2 0 267.417 1.448 10 0 CDAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCCCC[N@H+](C)C1CC1 ZINC000418266221 370372528 /nfs/dbraw/zinc/37/25/28/370372528.db2.gz MXGMHPBEJAYHMP-GXTWGEPZSA-N 2 0 282.432 1.158 10 0 CDAERP C[C@@H]1CN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C[C@@]1(C)C[NH3+] ZINC000565529056 370467409 /nfs/dbraw/zinc/46/74/09/370467409.db2.gz HTIWQTOJIPBAPI-DCQPSQPISA-N 2 0 293.455 1.583 10 0 CDAERP C[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CC1 ZINC000578232913 317497193 /nfs/dbraw/zinc/49/71/93/317497193.db2.gz QEWSRQJGWRTHET-BZUAXINKSA-N 2 0 283.460 1.153 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCC(=O)NC1CCCCC1 ZINC000422716500 245172136 /nfs/dbraw/zinc/17/21/36/245172136.db2.gz NHRDSMXIGKUMDV-AWEZNQCLSA-N 2 0 285.432 1.169 10 0 CDAERP Cc1nn(C)c(C)c1CC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000422812777 245289293 /nfs/dbraw/zinc/28/92/93/245289293.db2.gz WXLIFRQMXIYUNG-ZFWWWQNUSA-N 2 0 264.417 1.687 10 0 CDAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1ccccc1CC[NH3+] ZINC000575418955 371839592 /nfs/dbraw/zinc/83/95/92/371839592.db2.gz PGRYCPSRINCOPL-AWEZNQCLSA-N 2 0 289.423 1.602 10 0 CDAERP C[N@@H+](Cc1cccc2c1CC[NH2+]C2)C[C@@H]1CCCO1 ZINC000123922784 541864799 /nfs/dbraw/zinc/86/47/99/541864799.db2.gz NKAIBMPVVVJBTK-HNNXBMFYSA-N 2 0 260.381 1.943 10 0 CDAERP C[C@H]1CCC[N@H+](CCNC(=O)N2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000171900907 372230897 /nfs/dbraw/zinc/23/08/97/372230897.db2.gz DNSADMNAWDPQDK-LSDHHAIUSA-N 2 0 294.443 1.208 10 0 CDAERP COCCN(C)C[C@H](O)C[N@@H+]1C[C@H](C)C[C@@H](C)[C@H]1C ZINC000394063366 372336947 /nfs/dbraw/zinc/33/69/47/372336947.db2.gz QXPHOSCWGGBGCM-TUVASFSCSA-N 2 0 272.433 1.292 10 0 CDAERP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000578618657 372516810 /nfs/dbraw/zinc/51/68/10/372516810.db2.gz LEMZEXUTKXXGMX-INMHGKMJSA-N 2 0 293.455 1.886 10 0 CDAERP CCOC(=O)CC[C@@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000395104899 373083102 /nfs/dbraw/zinc/08/31/02/373083102.db2.gz BUQUFUYPYNRVEG-JALIKCBVSA-N 2 0 298.427 1.296 10 0 CDAERP [NH3+][C@H](C[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1)C1CC1 ZINC000423336046 245752619 /nfs/dbraw/zinc/75/26/19/245752619.db2.gz XSRYHZUTFVNSKE-BYNSBNAKSA-N 2 0 252.402 1.909 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC[NH+]1C ZINC000341208365 373408175 /nfs/dbraw/zinc/40/81/75/373408175.db2.gz UPOGWRJBQBGLRU-KBUPBQIOSA-N 2 0 296.459 1.593 10 0 CDAERP COCCN1CCC[C@@H]1C[NH2+]Cc1cccc(OC)n1 ZINC000190944294 373425093 /nfs/dbraw/zinc/42/50/93/373425093.db2.gz ALOXOQWPZFLELR-CQSZACIVSA-N 2 0 279.384 1.291 10 0 CDAERP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CC[NH+]2CCC1CC2 ZINC000341196308 373463697 /nfs/dbraw/zinc/46/36/97/373463697.db2.gz STXBZXXSMUOGMN-CABCVRRESA-N 2 0 292.427 1.103 10 0 CDAERP CCn1ncc(C[N@@H+]2C[C@H](CO)C3(C2)CC[NH2+]CC3)c1C ZINC000253409099 373716535 /nfs/dbraw/zinc/71/65/35/373716535.db2.gz LKFVLEQYEALHIT-OAHLLOKOSA-N 2 0 292.427 1.005 10 0 CDAERP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000037042481 373984475 /nfs/dbraw/zinc/98/44/75/373984475.db2.gz QEWAHRCOBMLGMN-ZDUSSCGKSA-N 2 0 261.369 1.686 10 0 CDAERP CCC[C@@H]([NH3+])C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000037826036 374037199 /nfs/dbraw/zinc/03/71/99/374037199.db2.gz ZLRZHNZVBHBAKH-CQSZACIVSA-N 2 0 269.433 1.693 10 0 CDAERP C[C@@H]1CCCCN1C(=O)CN1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631888014 374500391 /nfs/dbraw/zinc/50/03/91/374500391.db2.gz VUYAYGYFTULHAX-QLFBSQMISA-N 2 0 279.428 1.461 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@@H](C)[NH3+])[C@H](C)C1 ZINC000418724233 374541556 /nfs/dbraw/zinc/54/15/56/374541556.db2.gz NGHLUKLVEPXEST-LPWJVIDDSA-N 2 0 270.421 1.094 10 0 CDAERP C[C@H](CC(=O)N1CCC2(CC[NH2+]C2)CC1)[C@H]1CCC[NH2+]C1 ZINC000334376292 375100547 /nfs/dbraw/zinc/10/05/47/375100547.db2.gz DYOMORKLBMTNNQ-CABCVRRESA-N 2 0 293.455 1.614 10 0 CDAERP Cc1nc(N)nc(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)n1 ZINC000631185391 375561360 /nfs/dbraw/zinc/56/13/60/375561360.db2.gz LAVXWXZIYIIKAG-OLZOCXBDSA-N 2 0 284.367 1.450 10 0 CDAERP CC[C@@H](C(=O)N1CCC([N@@H+]2CCCOCC2)CC1)[NH+](C)C ZINC000627740458 375605898 /nfs/dbraw/zinc/60/58/98/375605898.db2.gz QOILGWQOIGZCBO-HNNXBMFYSA-N 2 0 297.443 1.040 10 0 CDAERP CC(C)S(=O)(=O)CCC[NH+]1CCC(CC[NH3+])CC1 ZINC000574458666 295003421 /nfs/dbraw/zinc/00/34/21/295003421.db2.gz PQOMTSLJCMYPMH-UHFFFAOYSA-N 2 0 276.446 1.261 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000638975548 376328539 /nfs/dbraw/zinc/32/85/39/376328539.db2.gz KYWOMWCVRNBHJZ-KGLIPLIRSA-N 2 0 281.444 1.694 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000638975550 376328597 /nfs/dbraw/zinc/32/85/97/376328597.db2.gz KYWOMWCVRNBHJZ-ZIAGYGMSSA-N 2 0 281.444 1.694 10 0 CDAERP [NH3+]C[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCN(C3CCC3)C1=O)C2 ZINC000631829215 376667155 /nfs/dbraw/zinc/66/71/55/376667155.db2.gz KPGHIEJOBRIRHO-NOLJZWGESA-N 2 0 277.412 1.201 10 0 CDAERP C(c1noc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)n1)C1CC1 ZINC000631826198 376656018 /nfs/dbraw/zinc/65/60/18/376656018.db2.gz HLYRXBWUTLQDJF-BETUJISGSA-N 2 0 276.384 1.454 10 0 CDAERP C[C@@H]1C[N@H+](CCOCC(F)(F)C(F)F)C[C@H]1C[NH3+] ZINC000631837657 376678938 /nfs/dbraw/zinc/67/89/38/376678938.db2.gz DMPZGTJJEPZJDQ-RKDXNWHRSA-N 2 0 272.286 1.430 10 0 CDAERP C[C@@H]1C[N@H+](Cc2cnn(-c3ccccc3)c2)C[C@@H]1C[NH3+] ZINC000631842352 376699775 /nfs/dbraw/zinc/69/97/75/376699775.db2.gz ZHSGOVNPKRNFRM-HIFRSBDPSA-N 2 0 270.380 1.899 10 0 CDAERP C(CN1CCC[C@@H]2C[NH2+]CC[C@H]21)[C@@H]1CCC[NH2+]C1 ZINC000631889660 376785124 /nfs/dbraw/zinc/78/51/24/376785124.db2.gz KXJSCKXDSXAGPX-RRFJBIMHSA-N 2 0 251.418 1.450 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000246438855 376794445 /nfs/dbraw/zinc/79/44/45/376794445.db2.gz UBKNFPLMQIOMQS-LSDHHAIUSA-N 2 0 294.443 1.372 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000070314749 377030878 /nfs/dbraw/zinc/03/08/78/377030878.db2.gz YICUNUFRMJUXJO-OLZOCXBDSA-N 2 0 255.406 1.495 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000070317946 377033725 /nfs/dbraw/zinc/03/37/25/377033725.db2.gz SOJWESMGMOTOPD-LBPRGKRZSA-N 2 0 253.390 1.201 10 0 CDAERP CN(C)c1ncc(C[N@@H+]2CC[C@]3(C2)CCCOC3)n1C ZINC000425380886 376984913 /nfs/dbraw/zinc/98/49/13/376984913.db2.gz LUFORLOPXVIMGV-HNNXBMFYSA-N 2 0 278.400 1.489 10 0 CDAERP C[C@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000248659978 377298449 /nfs/dbraw/zinc/29/84/49/377298449.db2.gz VSAMAAAAKWLIQO-GJZGRUSLSA-N 2 0 254.418 1.955 10 0 CDAERP CCC[C@@H](C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)[NH+](C)C ZINC000161703558 377743218 /nfs/dbraw/zinc/74/32/18/377743218.db2.gz HXRNAKAKUGBUOZ-OCCSQVGLSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@H](CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)[N@H+](C)C1CC1 ZINC000417550286 377973210 /nfs/dbraw/zinc/97/32/10/377973210.db2.gz KWCKDOPISHVLKL-RISCZKNCSA-N 2 0 280.416 1.005 10 0 CDAERP C[C@H](CN[C@H]1C[N@H+](C)C[C@@H]1C)C[NH+]1CCCCC1 ZINC000343397068 378860378 /nfs/dbraw/zinc/86/03/78/378860378.db2.gz BRDRDEAJLAKXBU-ILXRZTDVSA-N 2 0 253.434 1.648 10 0 CDAERP COC1(C[C@@H](C)[NH2+]CCOCC[NH+](C)C)CCC1 ZINC000447591383 284732424 /nfs/dbraw/zinc/73/24/24/284732424.db2.gz CYTYLOTVNLNVIS-CYBMUJFWSA-N 2 0 258.406 1.502 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C1CCOCC1 ZINC000657573619 412905099 /nfs/dbraw/zinc/90/50/99/412905099.db2.gz MSJADISQQXMMAP-ZDUSSCGKSA-N 2 0 257.422 1.027 10 0 CDAERP CC(C)[C@H]1CN(C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])CC[N@@H+]1C ZINC000634300714 379358744 /nfs/dbraw/zinc/35/87/44/379358744.db2.gz JAFRYTWQEMFVLJ-LZWOXQAQSA-N 2 0 281.444 1.693 10 0 CDAERP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000660647429 412915951 /nfs/dbraw/zinc/91/59/51/412915951.db2.gz DOZODPGUXZNZDB-MRXNPFEDSA-N 2 0 298.471 1.705 10 0 CDAERP COCCN1CC[C@H]([NH2+]CCc2cnccc2C)C1 ZINC000657588368 412917146 /nfs/dbraw/zinc/91/71/46/412917146.db2.gz HWAJZDWNJQWXFW-HNNXBMFYSA-N 2 0 263.385 1.243 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCF)C1 ZINC001662642004 1172574209 /nfs/dbraw/zinc/57/42/09/1172574209.db2.gz YBAIQNFOJMJAIA-KGLIPLIRSA-N 2 0 285.407 1.268 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001662675426 1172579664 /nfs/dbraw/zinc/57/96/64/1172579664.db2.gz LUAUGNQOGOJMHC-HNNXBMFYSA-N 2 0 281.444 1.733 10 0 CDAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CCC[C@H]2O)[C@H](C)C1 ZINC000453391244 252310358 /nfs/dbraw/zinc/31/03/58/252310358.db2.gz SWSNAMILJUBXNX-YYIAUSFCSA-N 2 0 298.471 1.874 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCC[C@H](CC[NH3+])C2)C1 ZINC000655970782 412983713 /nfs/dbraw/zinc/98/37/13/412983713.db2.gz LVVHYZWBYHSBNY-MCIONIFRSA-N 2 0 282.432 1.097 10 0 CDAERP C[C@H]([NH3+])C1CCN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000655970845 412983763 /nfs/dbraw/zinc/98/37/63/412983763.db2.gz MRBVUPQRYBXVIX-SGMGOOAPSA-N 2 0 282.432 1.095 10 0 CDAERP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662419415 412993671 /nfs/dbraw/zinc/99/36/71/412993671.db2.gz HSFHRWWTSPQHAP-NEPJUHHUSA-N 2 0 265.401 1.247 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](CO)C1CCCCC1 ZINC000423135891 285219586 /nfs/dbraw/zinc/21/95/86/285219586.db2.gz OMPCDEXVCXCRLY-LSDHHAIUSA-N 2 0 272.433 1.519 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)N(C)CC2C[NH+](C)C2)CC1 ZINC000660250395 413014921 /nfs/dbraw/zinc/01/49/21/413014921.db2.gz SHLMXICSQNYCKK-UHFFFAOYSA-N 2 0 282.432 1.062 10 0 CDAERP C[NH2+]Cc1oc(C[N@@H+]2CC[C@@H](COC)C2)cc1C ZINC000081118509 177774498 /nfs/dbraw/zinc/77/44/98/177774498.db2.gz PTMWDOZWICDVLR-GFCCVEGCSA-N 2 0 252.358 1.776 10 0 CDAERP C[NH+](C)CC1(C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)CCCCC1 ZINC000646943569 390304416 /nfs/dbraw/zinc/30/44/16/390304416.db2.gz KFFXCWPLFKFRAY-LSDHHAIUSA-N 2 0 293.455 1.661 10 0 CDAERP C[C@H]1[NH2+]CCC[C@@H]1C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000333637188 390430646 /nfs/dbraw/zinc/43/06/46/390430646.db2.gz TZGQTBDDDHPXFN-SYAUCNOPSA-N 2 0 287.407 1.246 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CC2(O)Cc3ccccc3C2)CC[N@@H+]1C ZINC000363789068 390493166 /nfs/dbraw/zinc/49/31/66/390493166.db2.gz MNTHDERIHSSTMC-CZUORRHYSA-N 2 0 274.408 1.589 10 0 CDAERP COCc1ccc(C[NH2+][C@@H]2CCCN(CCO)C2)cc1 ZINC000395056602 390804976 /nfs/dbraw/zinc/80/49/76/390804976.db2.gz NTZJBOPQWGOHSV-MRXNPFEDSA-N 2 0 278.396 1.379 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000404930689 390967523 /nfs/dbraw/zinc/96/75/23/390967523.db2.gz MDFBJWMSQRHQRS-QWHCGFSZSA-N 2 0 255.406 1.303 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[NH2+]CC1(C)C ZINC000647500867 390972214 /nfs/dbraw/zinc/97/22/14/390972214.db2.gz PUFJTKVUPCNIHB-UHFFFAOYSA-N 2 0 285.395 1.760 10 0 CDAERP C[C@@H]1C[NH2+]C[C@@H](NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000647548682 390991365 /nfs/dbraw/zinc/99/13/65/390991365.db2.gz OVHZETWUQYFXGK-LZWOXQAQSA-N 2 0 281.444 1.075 10 0 CDAERP C[C@@H]1C[NH2+]C[C@@H](NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000647548681 390991514 /nfs/dbraw/zinc/99/15/14/390991514.db2.gz OVHZETWUQYFXGK-DZKIICNBSA-N 2 0 281.444 1.075 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CCCc2n[nH]cc21)CN1CC[NH+](C)CC1 ZINC000367599113 390995926 /nfs/dbraw/zinc/99/59/26/390995926.db2.gz XPHLZLVNTCUGDL-UKRRQHHQSA-N 2 0 291.443 1.260 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000367602981 390997235 /nfs/dbraw/zinc/99/72/35/390997235.db2.gz XKOYGYMSKCYLED-TZMCWYRMSA-N 2 0 280.416 1.734 10 0 CDAERP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C2CCC2)C1 ZINC000647553166 390999519 /nfs/dbraw/zinc/99/95/19/390999519.db2.gz FSJBEWWZKOSKEZ-GDBMZVCRSA-N 2 0 293.455 1.838 10 0 CDAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](COC)C2CCOCC2)C1 ZINC000187791582 391006330 /nfs/dbraw/zinc/00/63/30/391006330.db2.gz JKDKGGYYOQFZKK-ZFWWWQNUSA-N 2 0 270.417 1.359 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC000245708204 391096758 /nfs/dbraw/zinc/09/67/58/391096758.db2.gz YLAWQBHAMUCCBU-ZBFHGGJFSA-N 2 0 293.455 1.851 10 0 CDAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CCOCC3(CC3)C2)CC1 ZINC000337321882 391108570 /nfs/dbraw/zinc/10/85/70/391108570.db2.gz QKVYBLQVNIVNLS-UHFFFAOYSA-N 2 0 295.471 1.515 10 0 CDAERP COC[C@@H](C)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648071993 391088604 /nfs/dbraw/zinc/08/86/04/391088604.db2.gz FWCCVONGRUYDHE-ZDUSSCGKSA-N 2 0 256.390 1.066 10 0 CDAERP C(CC1CC[NH2+]CC1)CN(C1CC1)[C@H]1CC[NH2+]C1 ZINC000647898339 391186502 /nfs/dbraw/zinc/18/65/02/391186502.db2.gz HFSGGRFSAIKPGY-HNNXBMFYSA-N 2 0 251.418 1.593 10 0 CDAERP CCc1ccc([C@H](CNC(=O)NCCC[NH3+])[NH+](C)C)cc1 ZINC000416847290 391332099 /nfs/dbraw/zinc/33/20/99/391332099.db2.gz VGGQXRCMBYLXPF-HNNXBMFYSA-N 2 0 292.427 1.500 10 0 CDAERP C[N@@H+]1CCC[C@H](CCNC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000418295895 391284370 /nfs/dbraw/zinc/28/43/70/391284370.db2.gz RXBVOQHYCFSUGU-RBSFLKMASA-N 2 0 294.443 1.112 10 0 CDAERP C[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000418308915 391292988 /nfs/dbraw/zinc/29/29/88/391292988.db2.gz HFVVTKFEYJIARX-GUTXKFCHSA-N 2 0 294.443 1.253 10 0 CDAERP CCOC(=O)[C@H](CC)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000310897604 391320449 /nfs/dbraw/zinc/32/04/49/391320449.db2.gz AMAJUXUQOYJCBT-JSGCOSHPSA-N 2 0 254.374 1.356 10 0 CDAERP CN(C(=O)NCC[C@H]1CCC[NH2+]C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000418345957 391348427 /nfs/dbraw/zinc/34/84/27/391348427.db2.gz MAFRUNJIKDLSNN-UKRRQHHQSA-N 2 0 294.443 1.254 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000418345166 391350400 /nfs/dbraw/zinc/35/04/00/391350400.db2.gz LDVSISDUBPCXOP-OAHLLOKOSA-N 2 0 296.459 1.359 10 0 CDAERP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000335426820 391431206 /nfs/dbraw/zinc/43/12/06/391431206.db2.gz BRUVZOJZGSTBDR-DOMZBBRYSA-N 2 0 273.380 1.071 10 0 CDAERP CC[C@H](C(N)=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000355794118 391469490 /nfs/dbraw/zinc/46/94/90/391469490.db2.gz CNQBWCNFLHQUKJ-LSDHHAIUSA-N 2 0 281.444 1.838 10 0 CDAERP C[C@@H]1CCN(C(=O)[C@H](C[NH3+])c2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000417836975 391503201 /nfs/dbraw/zinc/50/32/01/391503201.db2.gz MAQGFXJAHUXVPW-OSAQELSMSA-N 2 0 293.386 1.311 10 0 CDAERP c1nc(C2CC2)ncc1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647793726 391637100 /nfs/dbraw/zinc/63/71/00/391637100.db2.gz GEEQJEJRQAOLGQ-OWCLPIDISA-N 2 0 286.423 1.874 10 0 CDAERP CC(C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000125662290 391580273 /nfs/dbraw/zinc/58/02/73/391580273.db2.gz YWKJYVUJXHGZEU-UHFFFAOYSA-N 2 0 253.434 1.935 10 0 CDAERP CC[C@H]([NH3+])CNC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000417533339 391639940 /nfs/dbraw/zinc/63/99/40/391639940.db2.gz MHEXIFRHMVJVCE-XQQFMLRXSA-N 2 0 270.421 1.286 10 0 CDAERP C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CC1COC1 ZINC000528027399 391585357 /nfs/dbraw/zinc/58/53/57/391585357.db2.gz SIUDTTLMFMVZCQ-BBRMVZONSA-N 2 0 275.396 1.528 10 0 CDAERP CC[C@H]1[C@@H](C)CC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000360451573 391660925 /nfs/dbraw/zinc/66/09/25/391660925.db2.gz HJMANICTMRCWKZ-BBRMVZONSA-N 2 0 293.455 1.850 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH3+])CC1 ZINC000335382218 391702976 /nfs/dbraw/zinc/70/29/76/391702976.db2.gz VLTXLKPXNBTMHZ-CYBMUJFWSA-N 2 0 253.390 1.199 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000418195789 391803079 /nfs/dbraw/zinc/80/30/79/391803079.db2.gz GNRRWGHMVUBLSA-HZSPNIEDSA-N 2 0 284.448 1.404 10 0 CDAERP C[NH+](C)CCc1ccc(NC(=O)COC2(C)C[NH2+]C2)cc1 ZINC000649313216 391990935 /nfs/dbraw/zinc/99/09/35/391990935.db2.gz MHUKVVAPFFEXNE-UHFFFAOYSA-N 2 0 291.395 1.108 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCC[C@@H]2O)[C@H]2CCC[C@H]21 ZINC000453378718 392032235 /nfs/dbraw/zinc/03/22/35/392032235.db2.gz ZOFXPPNEEUBPAX-LJIZCISZSA-N 2 0 266.429 2.000 10 0 CDAERP CC1=CCN(CC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000423030683 392286888 /nfs/dbraw/zinc/28/68/88/392286888.db2.gz CGNPNLXLRHEAKL-LSDHHAIUSA-N 2 0 251.418 1.746 10 0 CDAERP C1CC1[C@@H](NC1CC([NH+]2CCCCC2)C1)[C@H]1C[NH2+]CCO1 ZINC000423104177 392348045 /nfs/dbraw/zinc/34/80/45/392348045.db2.gz XYWHXXIJNDQQMR-BHUNQDJPSA-N 2 0 293.455 1.360 10 0 CDAERP CCOC(=O)C1([C@@H](C)[NH2+]CC[C@@H](C)F)CC[NH2+]CC1 ZINC000423136604 392375209 /nfs/dbraw/zinc/37/52/09/392375209.db2.gz PPLQWHMCHXJIIC-VXGBXAGGSA-N 2 0 274.380 1.646 10 0 CDAERP CCOC(=O)C1([C@H](C)[NH2+]CC[C@H](C)F)CC[NH2+]CC1 ZINC000423136603 392375267 /nfs/dbraw/zinc/37/52/67/392375267.db2.gz PPLQWHMCHXJIIC-RYUDHWBXSA-N 2 0 274.380 1.646 10 0 CDAERP Cc1ccc([C@H](CCn2cncn2)[NH2+]CCC[NH3+])cc1 ZINC000423190742 392430326 /nfs/dbraw/zinc/43/03/26/392430326.db2.gz OBXBSVOVGRGUCI-HNNXBMFYSA-N 2 0 273.384 1.656 10 0 CDAERP C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1cnn(C2CCCC2)c1 ZINC000423201012 392437978 /nfs/dbraw/zinc/43/79/78/392437978.db2.gz GYPMBCRYIYMENQ-AWEZNQCLSA-N 2 0 291.443 1.554 10 0 CDAERP COc1ccc([C@@H](N[C@H](C)C[NH3+])[C@@H]2CCC[NH2+]2)cc1 ZINC000423337744 392526243 /nfs/dbraw/zinc/52/62/43/392526243.db2.gz VLVSIPDOPRDKGO-BYCMXARLSA-N 2 0 263.385 1.425 10 0 CDAERP C[C@H](C[NH2+][C@H](C)C1CC(F)(F)C1)CN1CC[NH+](C)CC1 ZINC000529538457 392475519 /nfs/dbraw/zinc/47/55/19/392475519.db2.gz OEVRPXQBTGEIOZ-CHWSQXEVSA-N 2 0 289.414 1.893 10 0 CDAERP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]CCC[NH3+] ZINC000437758486 392487201 /nfs/dbraw/zinc/48/72/01/392487201.db2.gz MPJBBNCMWJBNNO-JTQLQIEISA-N 2 0 253.321 1.481 10 0 CDAERP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CCC[NH3+] ZINC000437804216 392493692 /nfs/dbraw/zinc/49/36/92/392493692.db2.gz VFGGKASKMHFLFO-LBPRGKRZSA-N 2 0 263.385 1.905 10 0 CDAERP C(CC[NH+]1CCOCC1)C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000449081263 392632555 /nfs/dbraw/zinc/63/25/55/392632555.db2.gz DDFZIVPQJMDFRR-OAHLLOKOSA-N 2 0 282.428 1.790 10 0 CDAERP C[NH+](C)C[C@@H]1CN(C(=O)NC2CC=CC2)C[C@H]1C[NH+](C)C ZINC000875378704 781996113 /nfs/dbraw/zinc/99/61/13/781996113.db2.gz AUCVKNAYMLPOTM-ZIAGYGMSSA-N 2 0 294.443 1.086 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@@H]2CCC(=O)NC2(C)C)CC1 ZINC000495091028 393175815 /nfs/dbraw/zinc/17/58/15/393175815.db2.gz BIOFVFIVTJUWCF-CQSZACIVSA-N 2 0 281.444 1.755 10 0 CDAERP C[NH+](C)C[C@H](NC(=O)[C@H]1[NH2+]CC1(C)C)c1ccccc1 ZINC000649281615 393315870 /nfs/dbraw/zinc/31/58/70/393315870.db2.gz XAAHXVAXLKGEOG-UONOGXRCSA-N 2 0 275.396 1.404 10 0 CDAERP Cc1ccc(C(N)=[NH2+])c(N2CCC([NH+](C)C)CC2)n1 ZINC000043401131 134900924 /nfs/dbraw/zinc/90/09/24/134900924.db2.gz YOVZRMNEOGVCIB-UHFFFAOYSA-N 2 0 261.373 1.204 10 0 CDAERP O=C(C[C@H]1CC[NH2+]C1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000662505136 413075795 /nfs/dbraw/zinc/07/57/95/413075795.db2.gz GKMQUTLYSHFGCR-IJEWVQPXSA-N 2 0 291.439 1.461 10 0 CDAERP Cc1nccn1CCCC[N@@H+]1CCCC[C@]1(C)C(N)=O ZINC000185962963 140051522 /nfs/dbraw/zinc/05/15/22/140051522.db2.gz SRSAWGCWXCQLHS-OAHLLOKOSA-N 2 0 278.400 1.702 10 0 CDAERP O=C(C[C@@H]1CCC[NH2+]1)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000261818126 140394595 /nfs/dbraw/zinc/39/45/95/140394595.db2.gz XMVNZUHMEXELFX-NSHDSACASA-N 2 0 277.343 1.552 10 0 CDAERP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657902549 413080327 /nfs/dbraw/zinc/08/03/27/413080327.db2.gz NFNJUUVYHGVZPD-KBPBESRZSA-N 2 0 270.417 1.644 10 0 CDAERP O=C(C[C@@H]1[NH2+]Cc2ccccc21)NCCC[NH+]1CCCC1 ZINC000662524312 413093920 /nfs/dbraw/zinc/09/39/20/413093920.db2.gz KXVLQOVBXHTUNU-INIZCTEOSA-N 2 0 287.407 1.823 10 0 CDAERP CCC[NH+]1CCC([NH2+]C[C@H](OC)[C@H]2CCOC2)CC1 ZINC000658071260 413171327 /nfs/dbraw/zinc/17/13/27/413171327.db2.gz DDMBDVCINQOBQG-ZFWWWQNUSA-N 2 0 270.417 1.502 10 0 CDAERP COC1(C[C@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)CCC1 ZINC000429517639 292125906 /nfs/dbraw/zinc/12/59/06/292125906.db2.gz KPIZVHLFHURWAK-GJZGRUSLSA-N 2 0 283.460 1.560 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)NCC[NH+]1CC=CCC1 ZINC000651195072 397871574 /nfs/dbraw/zinc/87/15/74/397871574.db2.gz AUGQUJRODOHNAY-UHFFFAOYSA-N 2 0 296.459 1.525 10 0 CDAERP [NH3+]C[C@H](c1nc([C@@H]2CCC[NH2+]2)no1)c1ccc(F)cc1 ZINC000647147988 397874110 /nfs/dbraw/zinc/87/41/10/397874110.db2.gz CSYNRKPHOJQQIC-RYUDHWBXSA-N 2 0 276.315 1.724 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1CCCCN1CCO)C1CC[NH+](C)CC1 ZINC000651381412 397969110 /nfs/dbraw/zinc/96/91/10/397969110.db2.gz DBCDPLLUACRKBV-HOCLYGCPSA-N 2 0 283.460 1.153 10 0 CDAERP C[NH+](C)CCOc1cccc(C[NH2+]C2CSC2)c1 ZINC000679841346 483450303 /nfs/dbraw/zinc/45/03/03/483450303.db2.gz YMFMWDJLYVWIRI-UHFFFAOYSA-N 2 0 266.410 1.832 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CCCOCC1 ZINC000658105915 413204006 /nfs/dbraw/zinc/20/40/06/413204006.db2.gz FQJXCROXHIQOJO-GJZGRUSLSA-N 2 0 271.449 1.417 10 0 CDAERP C[C@H](Cn1cccn1)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000658106542 413206494 /nfs/dbraw/zinc/20/64/94/413206494.db2.gz IFQOXTFDYNWLOH-LSDHHAIUSA-N 2 0 281.448 1.133 10 0 CDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCCCCO)CC1 ZINC000105915428 147239611 /nfs/dbraw/zinc/23/96/11/147239611.db2.gz PFZZDOSRWWQKDK-CQSZACIVSA-N 2 0 272.433 1.174 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1COC(C)(C)C1 ZINC000658106131 413206138 /nfs/dbraw/zinc/20/61/38/413206138.db2.gz FXFYDLQECJWQTI-KBPBESRZSA-N 2 0 271.449 1.416 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)NCC[NH+]1CCCC[C@H]1C ZINC000352449876 155195308 /nfs/dbraw/zinc/19/53/08/155195308.db2.gz FHTFUINBTJUBFS-OAHLLOKOSA-N 2 0 298.475 1.892 10 0 CDAERP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322857589 483552571 /nfs/dbraw/zinc/55/25/71/483552571.db2.gz SXZJFLAWPCKNOW-JWURUJNWSA-N 2 0 265.401 1.116 10 0 CDAERP C[C@]1(C[NH+]2CCC(c3ccnn3CCO)CC2)CC[NH2+]C1 ZINC000262020605 149002076 /nfs/dbraw/zinc/00/20/76/149002076.db2.gz NCFBTOCZOKSHSM-INIZCTEOSA-N 2 0 292.427 1.054 10 0 CDAERP C[C@]1(CN2CCO[C@H](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000262078242 149010934 /nfs/dbraw/zinc/01/09/34/149010934.db2.gz SUAAGFGWPIVWGZ-SJORKVTESA-N 2 0 274.408 1.930 10 0 CDAERP C[C@]1(C[N@@H+]2CCCC3(CCOCC3)C2)CC[NH2+]C1 ZINC000262100196 149017746 /nfs/dbraw/zinc/01/77/46/149017746.db2.gz VNPQKENRWNXCME-AWEZNQCLSA-N 2 0 252.402 1.879 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCC[NH2+]C2CCCCCC2)CC[NH2+]1 ZINC000262366208 149052549 /nfs/dbraw/zinc/05/25/49/149052549.db2.gz LEEPPEUCSMCCGL-KBPBESRZSA-N 2 0 281.444 1.803 10 0 CDAERP C[C@H](CC(=O)N1CC[NH+]2CCC1CC2)[C@H]1CCC[NH2+]C1 ZINC000335037822 150213537 /nfs/dbraw/zinc/21/35/37/150213537.db2.gz MQAJBVZLGRYSQE-KGLIPLIRSA-N 2 0 279.428 1.319 10 0 CDAERP CC[NH+](CC)CCNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662658825 413261457 /nfs/dbraw/zinc/26/14/57/413261457.db2.gz GGCPRKVOWIYZJN-UHFFFAOYSA-N 2 0 253.390 1.119 10 0 CDAERP COC(C)(C)CC[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000345186709 152762720 /nfs/dbraw/zinc/76/27/20/152762720.db2.gz KQPYXOGQUAJLLN-UHFFFAOYSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccccn1 ZINC000346976508 153365984 /nfs/dbraw/zinc/36/59/84/153365984.db2.gz FPPLQARWCIFECW-CQSZACIVSA-N 2 0 277.412 1.969 10 0 CDAERP [NH3+]C1(CC(=O)N2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000662672912 413290112 /nfs/dbraw/zinc/29/01/12/413290112.db2.gz GFZXXCODTQSRNA-UHFFFAOYSA-N 2 0 279.428 1.592 10 0 CDAERP [NH3+][C@@H](C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)C1CCC1 ZINC000662687161 413315600 /nfs/dbraw/zinc/31/56/00/413315600.db2.gz UWGSKVUYDCWHTJ-LSDHHAIUSA-N 2 0 289.379 1.413 10 0 CDAERP CC(C)[C@H](C(=O)NCCCC[NH+](C)C)[NH+]1CCCCC1 ZINC000353808833 156097803 /nfs/dbraw/zinc/09/78/03/156097803.db2.gz ALXONMSZJQXTOS-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H](CC(=O)OC)[C@@H]2C)C1 ZINC000354166582 156302656 /nfs/dbraw/zinc/30/26/56/156302656.db2.gz UNFQUXFKFNOBCM-LJISPDSOSA-N 2 0 282.428 1.896 10 0 CDAERP C[C@H](Cn1cccn1)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000355609997 157142925 /nfs/dbraw/zinc/14/29/25/157142925.db2.gz QTXSAERZQFVQMA-WLYUNCDWSA-N 2 0 262.401 1.878 10 0 CDAERP CC[C@@H](C(=O)N(C)[C@H]1C[NH+]2CCC1CC2)[NH+](CC)CC ZINC000359784012 158375287 /nfs/dbraw/zinc/37/52/87/158375287.db2.gz CRHPKWMTPDSJPI-GJZGRUSLSA-N 2 0 281.444 1.659 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCCCNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000848989464 782010481 /nfs/dbraw/zinc/01/04/81/782010481.db2.gz SMPMACCWCWUXKZ-GJZGRUSLSA-N 2 0 296.459 1.934 10 0 CDAERP C[NH+](C)CC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000362769493 159234895 /nfs/dbraw/zinc/23/48/95/159234895.db2.gz LVURQHFICJWDTM-UHFFFAOYSA-N 2 0 281.444 1.519 10 0 CDAERP C[C@@H](C[NH3+])C(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000367609115 159512547 /nfs/dbraw/zinc/51/25/47/159512547.db2.gz VAMBVANFYXSIBE-STQMWFEESA-N 2 0 253.390 1.058 10 0 CDAERP C[NH2+]C[C@H](C)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000375071648 160342809 /nfs/dbraw/zinc/34/28/09/160342809.db2.gz PWGUTJCLTUPEAL-VIFPVBQESA-N 2 0 265.332 1.265 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)CC2([NH3+])CC2)C1 ZINC000662748011 413420563 /nfs/dbraw/zinc/42/05/63/413420563.db2.gz JBJSNAMZQGKUCK-LBPRGKRZSA-N 2 0 253.390 1.058 10 0 CDAERP CC1CCC(N(C)C(=O)C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)CC1 ZINC000923498171 782013377 /nfs/dbraw/zinc/01/33/77/782013377.db2.gz FVKOQJMABQRRQM-LVDPKSTMSA-N 2 0 295.471 1.940 10 0 CDAERP C[N@@H+]1CCCN([C@@H](C[NH3+])c2ccc(F)cc2F)CC1 ZINC000020217654 171079607 /nfs/dbraw/zinc/07/96/07/171079607.db2.gz RSDCHZIQYBZPGI-AWEZNQCLSA-N 2 0 269.339 1.602 10 0 CDAERP C[N@@H+]1CCCN(Cc2cc(C[NH3+])ccc2F)CC1 ZINC000020217538 171080536 /nfs/dbraw/zinc/08/05/36/171080536.db2.gz IRPKVDJHCJMCDA-UHFFFAOYSA-N 2 0 251.349 1.422 10 0 CDAERP C[C@@H]1C[NH+](CCC(=O)Nc2ccccc2C[NH3+])C[C@@H](C)O1 ZINC000022153034 171360104 /nfs/dbraw/zinc/36/01/04/171360104.db2.gz VZHDSOSZWBLFBT-CHWSQXEVSA-N 2 0 291.395 1.583 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)C1([NH3+])CCCC1 ZINC000653176075 412116299 /nfs/dbraw/zinc/11/62/99/412116299.db2.gz JRIGXMZKYVQMQQ-UHFFFAOYSA-N 2 0 255.406 1.352 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)NCc1ccc(C[NH3+])cc1F ZINC000653222812 412148086 /nfs/dbraw/zinc/14/80/86/412148086.db2.gz PMEMZVGOINWMGC-CQSZACIVSA-N 2 0 293.386 1.679 10 0 CDAERP CN(C(=O)[C@H]1C[C@H]([NH3+])C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000662788200 413499951 /nfs/dbraw/zinc/49/99/51/413499951.db2.gz YZBJOAJNKVITSC-BZUAXINKSA-N 2 0 287.407 1.457 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)CC2([NH3+])CC2)C1 ZINC000662789026 413502154 /nfs/dbraw/zinc/50/21/54/413502154.db2.gz ZKXOWJPCFPFCOP-MJBXVCDLSA-N 2 0 279.428 1.732 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000660822658 413517134 /nfs/dbraw/zinc/51/71/34/413517134.db2.gz OZHOWUFFBPSSKC-KGLIPLIRSA-N 2 0 298.475 1.889 10 0 CDAERP Cc1ccc(CN(C)C2(C[NH3+])CC[NH+](C)CC2)o1 ZINC000035699560 172367741 /nfs/dbraw/zinc/36/77/41/172367741.db2.gz FLUCYNCYWRQGBQ-UHFFFAOYSA-N 2 0 251.374 1.443 10 0 CDAERP CC[C@H](C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[NH+](CC)CC ZINC000662945938 413726601 /nfs/dbraw/zinc/72/66/01/413726601.db2.gz YANLSQVQQHFZGP-IJLUTSLNSA-N 2 0 259.369 1.005 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CCCC[NH+](C)C)C1 ZINC000654815332 413731278 /nfs/dbraw/zinc/73/12/78/413731278.db2.gz PQTMLQRYFIBWMD-CYBMUJFWSA-N 2 0 255.406 1.128 10 0 CDAERP O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)[C@@H]1CCC[NH2+]1 ZINC000659370827 413751357 /nfs/dbraw/zinc/75/13/57/413751357.db2.gz WXZLRSSFHGCTNB-KBPBESRZSA-N 2 0 275.352 1.038 10 0 CDAERP C[C@@H](CCNC(=O)NCC12CC(C1)C[NH2+]2)[NH+]1CCCCC1 ZINC000659483185 413874585 /nfs/dbraw/zinc/87/45/85/413874585.db2.gz XMQUYIIRBSAPRS-HLIUYOAVSA-N 2 0 294.443 1.302 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000659435019 413819232 /nfs/dbraw/zinc/81/92/32/413819232.db2.gz UOSQQJXFGWULCX-RBSFLKMASA-N 2 0 298.475 1.779 10 0 CDAERP C[C@H](NC(=O)NC[C@@H]([NH3+])c1ccccc1)c1nccn1C ZINC000659519270 413917628 /nfs/dbraw/zinc/91/76/28/413917628.db2.gz GTUITKAKYDBYHZ-WCQYABFASA-N 2 0 287.367 1.480 10 0 CDAERP [NH3+]CC12CC(C1)CN2C(=O)NCC1([NH3+])CCCCCC1 ZINC000659504868 413897626 /nfs/dbraw/zinc/89/76/26/413897626.db2.gz CDTDZWSCIUJEBF-UHFFFAOYSA-N 2 0 280.416 1.171 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000659605472 414011390 /nfs/dbraw/zinc/01/13/90/414011390.db2.gz NNECYQBATIKKGD-LSDHHAIUSA-N 2 0 298.475 1.779 10 0 CDAERP CO[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)[C@H]1CCOC1 ZINC000665234636 413959034 /nfs/dbraw/zinc/95/90/34/413959034.db2.gz HQLOHHPHXVUDBT-IGQOVBAYSA-N 2 0 256.390 1.016 10 0 CDAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](CO)C1CCC1 ZINC000665234846 413961126 /nfs/dbraw/zinc/96/11/26/413961126.db2.gz KUUXCMZECZVAPN-ABAIWWIYSA-N 2 0 263.385 1.660 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N(C)CC(C)(C)[NH3+] ZINC000659559193 413967260 /nfs/dbraw/zinc/96/72/60/413967260.db2.gz KJJCRUCJCXRTLQ-UHFFFAOYSA-N 2 0 272.437 1.343 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000659621977 414032596 /nfs/dbraw/zinc/03/25/96/414032596.db2.gz MBEXHVSGIGEKPG-RBSFLKMASA-N 2 0 296.459 1.486 10 0 CDAERP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665292664 414034427 /nfs/dbraw/zinc/03/44/27/414034427.db2.gz GWQUQFLVHZCXPA-MNOVXSKESA-N 2 0 264.373 1.555 10 0 CDAERP CC[NH+]1CCC([C@@H](C)[NH2+]CCN2CCCC2)CC1 ZINC000037220751 173039516 /nfs/dbraw/zinc/03/95/16/173039516.db2.gz USVZUWCZGNCVBX-CQSZACIVSA-N 2 0 253.434 1.792 10 0 CDAERP CC[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)CO1 ZINC000657358116 414229186 /nfs/dbraw/zinc/22/91/86/414229186.db2.gz BHCLIAOFHSKQCX-SQWLQELKSA-N 2 0 281.444 1.312 10 0 CDAERP c1cc(C[NH2+]C[C@H]2CCCCO2)n(-c2cc[nH+]cc2)n1 ZINC000657329075 414179739 /nfs/dbraw/zinc/17/97/39/414179739.db2.gz JDCRFIPQHWJMKQ-OAHLLOKOSA-N 2 0 272.352 1.926 10 0 CDAERP CC[C@@H]1C[C@H]([NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)CO1 ZINC000657347285 414184368 /nfs/dbraw/zinc/18/43/68/414184368.db2.gz WQLUUIDDUMDBJA-QLFBSQMISA-N 2 0 269.433 1.027 10 0 CDAERP CCN(CC)C(=O)[C@H]1CCCN1C[C@H](O)C[N@H+](C)C(C)C ZINC000659858744 414191810 /nfs/dbraw/zinc/19/18/10/414191810.db2.gz YHGIOPOHYRVZJW-HUUCEWRRSA-N 2 0 299.459 1.020 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CN1C1CC1 ZINC000657389635 414273512 /nfs/dbraw/zinc/27/35/12/414273512.db2.gz NELNHOYOHZFQGM-ZIAGYGMSSA-N 2 0 297.406 1.982 10 0 CDAERP C[C@@H]([NH2+]CCCC[NH3+])c1ccc(S(C)(=O)=O)cc1 ZINC000037715001 173633319 /nfs/dbraw/zinc/63/33/19/173633319.db2.gz XYOSIKOSWSAJMX-LLVKDONJSA-N 2 0 270.398 1.480 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cccs2)CC1 ZINC000663502475 414302056 /nfs/dbraw/zinc/30/20/56/414302056.db2.gz HCWJEFGKQASHFX-UHFFFAOYSA-N 2 0 295.452 1.828 10 0 CDAERP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cc3n(n2)CCC3)C1 ZINC000657492077 414389920 /nfs/dbraw/zinc/38/99/20/414389920.db2.gz QREUFZPJESVAHK-CYBMUJFWSA-N 2 0 262.401 1.651 10 0 CDAERP Cc1nccn1CCCC[N@@H+]1CCc2nccnc2C1 ZINC000662121558 414521386 /nfs/dbraw/zinc/52/13/86/414521386.db2.gz DFOVQCCZLODGKQ-UHFFFAOYSA-N 2 0 271.368 1.820 10 0 CDAERP O[C@@H](C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1)C1CCCCC1 ZINC000662151243 414538622 /nfs/dbraw/zinc/53/86/22/414538622.db2.gz GUQOTFMARQKSQH-IRXDYDNUSA-N 2 0 296.455 1.459 10 0 CDAERP COC[C@H](C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1)OC ZINC000662296124 414621995 /nfs/dbraw/zinc/62/19/95/414621995.db2.gz XWLWRJLADCNIEH-GJZGRUSLSA-N 2 0 270.417 1.359 10 0 CDAERP O=C1CC[C@H]2C[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)CC[C@H]2N1 ZINC000662306202 414628640 /nfs/dbraw/zinc/62/86/40/414628640.db2.gz PDIVWBINAWWKFE-DOTOQJQBSA-N 2 0 299.418 1.433 10 0 CDAERP C[N@H+](CCCNC1CC[NH2+]CC1)Cc1ccccc1 ZINC000038040547 174040992 /nfs/dbraw/zinc/04/09/92/174040992.db2.gz IBHMGUFTRYZTFJ-UHFFFAOYSA-N 2 0 261.413 1.850 10 0 CDAERP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000263116838 287288530 /nfs/dbraw/zinc/28/85/30/287288530.db2.gz ARESTBLURMRBKL-JHNDHUHGSA-N 2 0 295.471 1.199 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)CCO1 ZINC000662322877 414641062 /nfs/dbraw/zinc/64/10/62/414641062.db2.gz JCKIBTPDCVMXSU-OAGGEKHMSA-N 2 0 284.444 1.844 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)C[NH2+]C2CCCC2)C1 ZINC000040503577 174300417 /nfs/dbraw/zinc/30/04/17/174300417.db2.gz UIYUKEBZWQDYHV-CYBMUJFWSA-N 2 0 253.390 1.119 10 0 CDAERP C[C@@H](c1ccccn1)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508103 174302778 /nfs/dbraw/zinc/30/27/78/174302778.db2.gz ZWAPOWCCQFDMDK-DZGCQCFKSA-N 2 0 288.395 1.039 10 0 CDAERP CCC[NH+]1CCC(C[NH3+])(N2CCC(OCC)CC2)CC1 ZINC000040678815 174374849 /nfs/dbraw/zinc/37/48/49/174374849.db2.gz XTCZJZICWHOXCT-UHFFFAOYSA-N 2 0 283.460 1.691 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccc2c(c1)OCO2 ZINC000040749406 174394170 /nfs/dbraw/zinc/39/41/70/174394170.db2.gz KCFUGKDGAVOMLN-YHWZYXNKSA-N 2 0 260.337 1.869 10 0 CDAERP O=C(NCC[NH+]1CCCCCC1)[C@H]1CCCC[NH2+]1 ZINC000040768200 174398696 /nfs/dbraw/zinc/39/86/96/174398696.db2.gz GXICLHYPLQLINZ-CYBMUJFWSA-N 2 0 253.390 1.121 10 0 CDAERP C[C@@]([NH3+])(C(=O)NCC[NH+]1CCCCCC1)C1CC1 ZINC000040768208 174398808 /nfs/dbraw/zinc/39/88/08/174398808.db2.gz SCDVRLKGEZQRCQ-AWEZNQCLSA-N 2 0 253.390 1.106 10 0 CDAERP CC(C)(C)[NH2+]CCC(=O)NCC[NH+]1CCCCCC1 ZINC000040768188 174398863 /nfs/dbraw/zinc/39/88/63/174398863.db2.gz RPEZLHQKEOJHLT-UHFFFAOYSA-N 2 0 269.433 1.757 10 0 CDAERP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]CCC[NH3+])C1 ZINC000043327085 175008794 /nfs/dbraw/zinc/00/87/94/175008794.db2.gz IDDQLMSJIABQQD-NSHDSACASA-N 2 0 257.378 1.324 10 0 CDAERP CC(C)C[N@H+](CCC[NH3+])[C@H](C)C(=O)NCc1ccco1 ZINC000043417299 175038119 /nfs/dbraw/zinc/03/81/19/175038119.db2.gz ZCMUNXLKHBTUCU-CYBMUJFWSA-N 2 0 281.400 1.591 10 0 CDAERP CC(C)[NH+]1CCC(C[NH3+])(N2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000043424929 175040357 /nfs/dbraw/zinc/04/03/57/175040357.db2.gz DNYRQPHPLIYHKO-JKSUJKDBSA-N 2 0 295.471 1.832 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000043591504 175073918 /nfs/dbraw/zinc/07/39/18/175073918.db2.gz JLQRMMOFIDSJKX-KGLIPLIRSA-N 2 0 269.433 1.469 10 0 CDAERP CC[NH2+][C@H]1CCCCC[C@@H]1N1CC[NH+](CC)CC1 ZINC000043805985 175108233 /nfs/dbraw/zinc/10/82/33/175108233.db2.gz QRMYPFHYJZVJQA-GJZGRUSLSA-N 2 0 253.434 1.935 10 0 CDAERP C[NH2+][C@@H](c1ccc(OC)cc1)[C@H](C)N1CC[NH+](C)CC1 ZINC000043810530 175109578 /nfs/dbraw/zinc/10/95/78/175109578.db2.gz UDPGCSSRYOUHKP-XJKSGUPXSA-N 2 0 277.412 1.592 10 0 CDAERP C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1OC ZINC000043810409 175109600 /nfs/dbraw/zinc/10/96/00/175109600.db2.gz GNEVJOYPUDUVNZ-AWEZNQCLSA-N 2 0 263.385 1.203 10 0 CDAERP C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccc(C)cc1C ZINC000043810509 175109660 /nfs/dbraw/zinc/10/96/60/175109660.db2.gz UNNDGABHJOSQGM-INIZCTEOSA-N 2 0 261.413 1.811 10 0 CDAERP CC[NH2+][C@H](c1ccccc1)[C@H](C)N1CC[NH+](C)CC1 ZINC000043810693 175110276 /nfs/dbraw/zinc/11/02/76/175110276.db2.gz UAKYFJMKESXRJR-HOCLYGCPSA-N 2 0 261.413 1.973 10 0 CDAERP C[NH2+][C@@H](CN1CCC[N@H+](C)CC1)c1ccc(C)cc1 ZINC000043818034 175113208 /nfs/dbraw/zinc/11/32/08/175113208.db2.gz KZXOXIGOYRCUHV-INIZCTEOSA-N 2 0 261.413 1.893 10 0 CDAERP C[NH2+][C@@H](CN1CC[NH+](C(C)C)CC1)c1cccc(OC)c1 ZINC000043896940 175119792 /nfs/dbraw/zinc/11/97/92/175119792.db2.gz MMSHUIIUJSQMRV-KRWDZBQOSA-N 2 0 291.439 1.982 10 0 CDAERP C[NH2+][C@H](CN1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000043967825 175128853 /nfs/dbraw/zinc/12/88/53/175128853.db2.gz XDFJTEZRRIGJQU-QGZVFWFLSA-N 2 0 273.424 1.975 10 0 CDAERP CCC[NH2+][C@@H](CC)[C@H](C)N1CC[NH+](C2CC2)CC1 ZINC000043967794 175129094 /nfs/dbraw/zinc/12/90/94/175129094.db2.gz WLNLUGMOOCQMSV-ZFWWWQNUSA-N 2 0 253.434 1.933 10 0 CDAERP C[NH2+][C@H]1CCCC[C@@H]1N1CCC(C[NH+](C)C)CC1 ZINC000043970630 175131879 /nfs/dbraw/zinc/13/18/79/175131879.db2.gz KUCNCAYXUXNXNG-GJZGRUSLSA-N 2 0 253.434 1.791 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000044426955 175175394 /nfs/dbraw/zinc/17/53/94/175175394.db2.gz RLJAYCCEZXMIDH-INIZCTEOSA-N 2 0 287.407 1.426 10 0 CDAERP NC(=O)c1ccc(F)c(C[NH+]2CCC(C[NH3+])CC2)c1 ZINC000044513824 175189289 /nfs/dbraw/zinc/18/92/89/175189289.db2.gz HDOPFMCEUAMYEI-UHFFFAOYSA-N 2 0 265.332 1.095 10 0 CDAERP CCC[NH2+]C1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000044562906 175205467 /nfs/dbraw/zinc/20/54/67/175205467.db2.gz DVWYFTYECROKLZ-HNNXBMFYSA-N 2 0 253.434 1.935 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH2+]C1CCCC1 ZINC000044564502 175207760 /nfs/dbraw/zinc/20/77/60/175207760.db2.gz OJIANDUPGYMXSJ-CYBMUJFWSA-N 2 0 253.390 1.119 10 0 CDAERP CCC[NH2+]CC(=O)N1CC[NH+](CCC(C)C)CC1 ZINC000044650603 175224472 /nfs/dbraw/zinc/22/44/72/175224472.db2.gz NOBOINAWXJZQBX-UHFFFAOYSA-N 2 0 255.406 1.176 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]CCOCCOC)C1 ZINC000044694057 175234797 /nfs/dbraw/zinc/23/47/97/175234797.db2.gz FSVWLDSBAYTASX-HUUCEWRRSA-N 2 0 272.433 1.750 10 0 CDAERP C[NH+](C)C1CCN(C(=O)C2(C[NH3+])CCCCC2)CC1 ZINC000044762895 175246823 /nfs/dbraw/zinc/24/68/23/175246823.db2.gz QCXKRJMKTYTWMK-UHFFFAOYSA-N 2 0 267.417 1.448 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)C1(C[NH3+])CCCCCC1 ZINC000044763706 175247873 /nfs/dbraw/zinc/24/78/73/175247873.db2.gz YGVAZCYJDJWWTN-AWEZNQCLSA-N 2 0 283.460 1.988 10 0 CDAERP CCCC(C[NH3+])(CCC)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000044806539 175256669 /nfs/dbraw/zinc/25/66/69/175256669.db2.gz GPMJBMGIZYHXGK-ZDUSSCGKSA-N 2 0 271.449 1.988 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000045138700 175314644 /nfs/dbraw/zinc/31/46/44/175314644.db2.gz MWQRBDVRKLQOII-AWEZNQCLSA-N 2 0 290.411 1.997 10 0 CDAERP C[NH2+][C@](C)(CCCC[N@H+](C)CCc1ccccn1)C(N)=O ZINC000045371946 175364490 /nfs/dbraw/zinc/36/44/90/175364490.db2.gz FUCLRJRXUGMZCY-MRXNPFEDSA-N 2 0 292.427 1.190 10 0 CDAERP CCC[NH+]1CCN(CCCC[C@@](C)([NH3+])C(=O)OCC)CC1 ZINC000045373896 175365938 /nfs/dbraw/zinc/36/59/38/175365938.db2.gz RYJAQAWVLHYTPI-MRXNPFEDSA-N 2 0 299.459 1.465 10 0 CDAERP C[NH2+][C@](C)(CCC[N@@H+]1CCc2ccccc2C1)C(N)=O ZINC000045378790 175368230 /nfs/dbraw/zinc/36/82/30/175368230.db2.gz SAHJOHZKVCHFPQ-MRXNPFEDSA-N 2 0 275.396 1.288 10 0 CDAERP CC[NH2+][C@@](C)(CCCC[N@H+](CC)CC(C)C)C(N)=O ZINC000045381710 175370519 /nfs/dbraw/zinc/37/05/19/175370519.db2.gz QDSPDTFXPFMIEQ-HNNXBMFYSA-N 2 0 271.449 1.988 10 0 CDAERP CC[NH2+][C@](C)(CCCC[NH+]1CCC(OC)CC1)C(N)=O ZINC000045389039 175374153 /nfs/dbraw/zinc/37/41/53/175374153.db2.gz XQLSYFSRYWRJFV-OAHLLOKOSA-N 2 0 285.432 1.121 10 0 CDAERP CC[NH2+][C@H]1CCCN(C[C@H](C)C[NH+]2CCCC2)C1=O ZINC000071031248 176022423 /nfs/dbraw/zinc/02/24/23/176022423.db2.gz XBUWLYLZKFHUNX-KGLIPLIRSA-N 2 0 267.417 1.319 10 0 CDAERP CCC[NH2+][C@@H]1CCN(C[C@H]2CCC[N@@H+]2CC)C1=O ZINC000071032780 176023410 /nfs/dbraw/zinc/02/34/10/176023410.db2.gz VFZHKHPFBKSIIA-CHWSQXEVSA-N 2 0 253.390 1.071 10 0 CDAERP CC[NH2+][C@H]1CCCN(C[C@H]2CC[N@@H+](C(C)C)C2)C1=O ZINC000071035255 176024567 /nfs/dbraw/zinc/02/45/67/176024567.db2.gz AUKOIUIBAQZLPT-KBPBESRZSA-N 2 0 267.417 1.317 10 0 CDAERP C[NH2+][C@H]1CCCN(CCCC[N@H+](C)C(C)C)C1=O ZINC000071034897 176024580 /nfs/dbraw/zinc/02/45/80/176024580.db2.gz LZPJLVJLMUUOPG-ZDUSSCGKSA-N 2 0 255.406 1.317 10 0 CDAERP CC(C)[NH2+][C@H]1CCN(CCCC[N@H+](C)C(C)C)C1=O ZINC000071034892 176024897 /nfs/dbraw/zinc/02/48/97/176024897.db2.gz RNKGKLARBYFMMD-AWEZNQCLSA-N 2 0 269.433 1.706 10 0 CDAERP CC[NH2+][C@H]1CCN(CCC[N@@H+]2CCCC[C@@H]2C)C1=O ZINC000071037916 176026467 /nfs/dbraw/zinc/02/64/67/176026467.db2.gz SUTKPYMPUBIIGX-KBPBESRZSA-N 2 0 267.417 1.461 10 0 CDAERP CC[C@@H]1CCC[C@](C[NH3+])(N2CCC[N@H+](C)CC2)C1 ZINC000071123094 176034862 /nfs/dbraw/zinc/03/48/62/176034862.db2.gz PZMRLOWPZJHHMQ-CABCVRRESA-N 2 0 253.434 1.922 10 0 CDAERP CC[C@H]1CCC[C@](C[NH3+])(N2CC[NH+](CC)CC2)C1 ZINC000071122974 176035488 /nfs/dbraw/zinc/03/54/88/176035488.db2.gz LAUPXTOFTDQWFO-GJZGRUSLSA-N 2 0 253.434 1.922 10 0 CDAERP CC[C@@H]1CCCC[C@]1(C[NH3+])N1CC[NH+](CC)CC1 ZINC000071161526 176046611 /nfs/dbraw/zinc/04/66/11/176046611.db2.gz HRUKFAMZGBNEIH-HUUCEWRRSA-N 2 0 253.434 1.922 10 0 CDAERP CCOc1ccccc1[C@H]([NH3+])CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188728 176063423 /nfs/dbraw/zinc/06/34/23/176063423.db2.gz WSUGKORSVWLBDI-GDBMZVCRSA-N 2 0 291.439 1.969 10 0 CDAERP CC[NH2+][C@@](C)(CCC[N@H+](C)C[C@@H]1CC[NH+](C)C1)C(=O)[O-] ZINC000071190894 176068790 /nfs/dbraw/zinc/06/87/90/176068790.db2.gz RLRSXMCOCHPNCX-ZFWWWQNUSA-N 2 0 285.432 1.103 10 0 CDAERP CN(CC[NH2+]CCc1cccs1)C[C@H]1CC[N@H+](C)C1 ZINC000071192230 176073929 /nfs/dbraw/zinc/07/39/29/176073929.db2.gz DUODWVJZJLEZTJ-AWEZNQCLSA-N 2 0 281.469 1.764 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)c1nc2c(s1)[C@H]([NH3+])CCC2 ZINC000071192531 176074864 /nfs/dbraw/zinc/07/48/64/176074864.db2.gz VKROXJDTGTZVAX-GHMZBOCLSA-N 2 0 280.441 1.867 10 0 CDAERP C[C@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071193278 176075502 /nfs/dbraw/zinc/07/55/02/176075502.db2.gz LZDMDGGLBNWERV-CRWXNKLISA-N 2 0 267.417 1.160 10 0 CDAERP CC[NH2+][C@H]1CCCN(CC[N@H+](C)C2CCCC2)C1 ZINC000071199884 176077364 /nfs/dbraw/zinc/07/73/64/176077364.db2.gz FXMWVQDYWKJPOV-AWEZNQCLSA-N 2 0 253.434 1.935 10 0 CDAERP CC(C)[NH2+][C@@H]1CCN(C[C@@H](C)[NH+]2CCCCC2)C1 ZINC000071201174 176077738 /nfs/dbraw/zinc/07/77/38/176077738.db2.gz TXQOTBJXNPRUFH-HUUCEWRRSA-N 2 0 253.434 1.933 10 0 CDAERP CCN([C@@H]1CC[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000071312255 176118960 /nfs/dbraw/zinc/11/89/60/176118960.db2.gz PMNBYRIQYALMDB-IAGOWNOFSA-N 2 0 273.424 1.945 10 0 CDAERP C[C@@]1([NH2+]CCC[C@@H]([NH3+])c2ccccc2)CCS(=O)(=O)C1 ZINC000071401986 176154140 /nfs/dbraw/zinc/15/41/40/176154140.db2.gz KJGDCGZVBAGBQB-HUUCEWRRSA-N 2 0 296.436 1.633 10 0 CDAERP [NH3+][C@H]1CC[C@@H](N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000071585795 176212064 /nfs/dbraw/zinc/21/20/64/176212064.db2.gz WCYJLBNPXNCUSG-JKSUJKDBSA-N 2 0 259.397 1.684 10 0 CDAERP COc1ccc([C@@H](C[NH3+])N2CC[NH+](C)CC2)cc1Cl ZINC000071634366 176237848 /nfs/dbraw/zinc/23/78/48/176237848.db2.gz VXADCMBGQXGRED-CYBMUJFWSA-N 2 0 283.803 1.596 10 0 CDAERP CC(C)[N@H+](C)CCCCNC(=O)C[NH2+]C(C)(C)C ZINC000078597282 177357806 /nfs/dbraw/zinc/35/78/06/177357806.db2.gz BKQRFRNEGAEKFO-UHFFFAOYSA-N 2 0 257.422 1.611 10 0 CDAERP CCC[NH+]1CCN([C@]2(C[NH3+])CCO[C@@](C)(CC)C2)CC1 ZINC000078621211 177361758 /nfs/dbraw/zinc/36/17/58/177361758.db2.gz ADMMAPQJCVLLTP-JKSUJKDBSA-N 2 0 283.460 1.691 10 0 CDAERP C[C@H](CC[NH3+])CCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000079117803 177436468 /nfs/dbraw/zinc/43/64/68/177436468.db2.gz MFVLWQABZOSBHQ-LBPRGKRZSA-N 2 0 267.417 1.495 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)NC2CCC([NH3+])CC2)CC1 ZINC000417941702 227248873 /nfs/dbraw/zinc/24/88/73/227248873.db2.gz SFDRINFVDIKCPX-UHFFFAOYSA-N 2 0 296.459 1.676 10 0 CDAERP C[C@@H]1CCN(C(=O)CC[C@H]2CCC[NH2+]2)[C@@H](C[NH3+])C1 ZINC000261906140 287520652 /nfs/dbraw/zinc/52/06/52/287520652.db2.gz WWTYPOAISNSODQ-JHJVBQTASA-N 2 0 253.390 1.104 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000418100782 228050741 /nfs/dbraw/zinc/05/07/41/228050741.db2.gz QESNTFIZSWUZLP-AVGNSLFASA-N 2 0 282.432 1.238 10 0 CDAERP O=C(CC[NH2+]C1CC1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000517245917 260130811 /nfs/dbraw/zinc/13/08/11/260130811.db2.gz FTAJMHWVDSYPQT-GXTWGEPZSA-N 2 0 265.401 1.119 10 0 CDAERP COc1cccc([C@@H](C)N2CCCO[C@H](C[NH3+])C2)c1 ZINC000313355153 260286953 /nfs/dbraw/zinc/28/69/53/260286953.db2.gz QTTCBCLZDYGUIT-IUODEOHRSA-N 2 0 264.369 1.806 10 0 CDAERP C[C@H]1CC[N@H+](Cc2ccc(-n3cncn3)cc2)C[C@H]1C[NH3+] ZINC000415138166 263276094 /nfs/dbraw/zinc/27/60/94/263276094.db2.gz YMHXHUOVVCFXOZ-DZGCQCFKSA-N 2 0 285.395 1.684 10 0 CDAERP CCOCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001666902127 1173204823 /nfs/dbraw/zinc/20/48/23/1173204823.db2.gz DNXUSTDRLDPRGW-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP COc1ccccc1C[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249254 423790644 /nfs/dbraw/zinc/79/06/44/423790644.db2.gz KURGOIQPABKBHA-CQSZACIVSA-N 2 0 276.380 1.648 10 0 CDAERP COC[C@H](C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)OC ZINC000662273476 423835714 /nfs/dbraw/zinc/83/57/14/423835714.db2.gz NDOUCFZZSHWFBR-ILXRZTDVSA-N 2 0 270.417 1.359 10 0 CDAERP [NH3+]CCC[N@H+](CC1CCCC1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662274347 423837908 /nfs/dbraw/zinc/83/79/08/423837908.db2.gz WBBWKZOHZDDHMT-HNNXBMFYSA-N 3 0 281.444 1.348 10 0 CDAERP Cc1nc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)co1 ZINC000662287101 423914716 /nfs/dbraw/zinc/91/47/16/423914716.db2.gz WAEBDLXJVANLAM-KCQAQPDRSA-N 2 0 279.384 1.701 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000652224517 424084606 /nfs/dbraw/zinc/08/46/06/424084606.db2.gz AMQWNIGATQMDRK-KGLIPLIRSA-N 2 0 284.448 1.343 10 0 CDAERP CCN(C(=O)NC[C@@H](C)[NH+](C)C1CC1)[C@@H]1CC[N@H+](C)C1 ZINC000663999540 424095935 /nfs/dbraw/zinc/09/59/35/424095935.db2.gz RZHCXLKQNDAQFK-TZMCWYRMSA-N 2 0 282.432 1.205 10 0 CDAERP CC(C)C[C@H]([NH3+])c1noc([C@H]2C[C@@]23CCC[NH2+]C3)n1 ZINC000653490725 424044403 /nfs/dbraw/zinc/04/44/03/424044403.db2.gz VLCUKRCSSFSOHK-UHIISALHSA-N 2 0 264.373 1.973 10 0 CDAERP C[C@@]12COC[C@H]1C[N@H+](CCC[NH+]1CCCCC1)C2 ZINC000661698381 424184081 /nfs/dbraw/zinc/18/40/81/424184081.db2.gz BCICYIHLUJEWHK-HUUCEWRRSA-N 2 0 252.402 1.831 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662681337 424307247 /nfs/dbraw/zinc/30/72/47/424307247.db2.gz YUUGJNDNTRBGTO-STQMWFEESA-N 2 0 267.417 1.365 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)[C@@H]1CC[NH2+][C@@H]1CC ZINC000664719071 424325737 /nfs/dbraw/zinc/32/57/37/424325737.db2.gz MOUDITMNMPOXTB-CHWSQXEVSA-N 2 0 269.433 1.611 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000653133659 424341981 /nfs/dbraw/zinc/34/19/81/424341981.db2.gz UKVKKFRVOQUUAO-OLZOCXBDSA-N 2 0 261.369 1.188 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000653140607 424360736 /nfs/dbraw/zinc/36/07/36/424360736.db2.gz IAKVHOOWSJGPQX-KRWDZBQOSA-N 2 0 287.407 1.404 10 0 CDAERP C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1)[C@H]1CCC[NH2+]1 ZINC000665273122 424485430 /nfs/dbraw/zinc/48/54/30/424485430.db2.gz QFPMFTLKOTVJSB-LCGIIJARSA-N 2 0 276.428 1.861 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])C1 ZINC000655488762 424508912 /nfs/dbraw/zinc/50/89/12/424508912.db2.gz FXVZSKAOMXKNEI-XFMPKHEZSA-N 2 0 267.417 1.350 10 0 CDAERP C[N@@H+]1CC[C@H](NCC2([NH3+])CCCC2)[C@H]2CCC[C@@H]21 ZINC000665247257 424473720 /nfs/dbraw/zinc/47/37/20/424473720.db2.gz YPJFTPYOAOUOML-RDBSUJKOSA-N 2 0 251.418 1.720 10 0 CDAERP C[C@H]([NH2+]CCCF)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001667351614 1173256950 /nfs/dbraw/zinc/25/69/50/1173256950.db2.gz FZFSASJFEGVLOF-GJZGRUSLSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1)[C@H](C)[NH3+] ZINC000423974002 270384683 /nfs/dbraw/zinc/38/46/83/270384683.db2.gz FEPRWXXJQGBNQJ-OWTLIXCDSA-N 2 0 255.406 1.049 10 0 CDAERP COC[C@@H](C)C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000526124476 270642809 /nfs/dbraw/zinc/64/28/09/270642809.db2.gz OMZLICVHERXDAD-INIZCTEOSA-N 2 0 297.487 1.759 10 0 CDAERP COC[C@@H](C)C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000527361544 270688393 /nfs/dbraw/zinc/68/83/93/270688393.db2.gz GYSVOATXQQEEIA-ZDUSSCGKSA-N 2 0 258.406 1.094 10 0 CDAERP O[C@@H](CNC[C@@H]1CC[N@@H+]1C1CCCC1)C[NH+]1CCCC1 ZINC000530241903 271178533 /nfs/dbraw/zinc/17/85/33/271178533.db2.gz FBZMYRVHEGDZRS-HOTGVXAUSA-N 2 0 281.444 1.050 10 0 CDAERP CC(C)C[C@H]([NH3+])CNc1ccc2c(c1)OCC[NH2+]C2 ZINC000530247636 271183499 /nfs/dbraw/zinc/18/34/99/271183499.db2.gz XTQFKHKOCCLXAF-ZDUSSCGKSA-N 2 0 263.385 1.954 10 0 CDAERP CC[NH2+]CC[C@@H](C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001668215253 1173382743 /nfs/dbraw/zinc/38/27/43/1173382743.db2.gz ZDVVNGIWMDMNIC-IUODEOHRSA-N 2 0 287.423 1.703 10 0 CDAERP C[C@H](CC[NH2+]C/C=C/Cl)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001668274350 1173389734 /nfs/dbraw/zinc/38/97/34/1173389734.db2.gz QRGNFBDSSPXGBA-OIOWFRMASA-N 2 0 287.835 1.565 10 0 CDAERP CC(C)[NH+]1CCN(CCC[NH2+][C@@H]2CCOC2(C)C)CC1 ZINC000451237415 277610596 /nfs/dbraw/zinc/61/05/96/277610596.db2.gz BHAGAEXDHWHWTC-OAHLLOKOSA-N 2 0 283.460 1.560 10 0 CDAERP C[C@H]([NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)[C@H]1CCC[NH2+]1 ZINC000423092427 278284152 /nfs/dbraw/zinc/28/41/52/278284152.db2.gz BVIQRGMXQUARKJ-XUWVNRHRSA-N 2 0 293.455 1.898 10 0 CDAERP CC[C@H]([NH2+]C1CCC(C[NH3+])CC1)[C@@H](O)C(F)F ZINC000423159720 288034210 /nfs/dbraw/zinc/03/42/10/288034210.db2.gz PWEBWYCQKDQDKT-WFBLGPOFSA-N 2 0 250.333 1.498 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000232637486 278892345 /nfs/dbraw/zinc/89/23/45/278892345.db2.gz VCEJYSMCZBGTKW-AWEZNQCLSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H]1C[N@H+](C)C[C@H]1NCC[NH+](C)C1CCCCC1 ZINC000343784106 288097641 /nfs/dbraw/zinc/09/76/41/288097641.db2.gz PYMUKAWHVYENPM-UKRRQHHQSA-N 2 0 253.434 1.791 10 0 CDAERP CC[N@H+](C)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C[NH3+] ZINC000058041354 279043680 /nfs/dbraw/zinc/04/36/80/279043680.db2.gz BAMZZXWXDXRNDZ-WDEREUQCSA-N 2 0 257.378 1.132 10 0 CDAERP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000247912937 279090829 /nfs/dbraw/zinc/09/08/29/279090829.db2.gz APMSMNOCHGCNIX-WBVHZDCISA-N 2 0 289.423 1.890 10 0 CDAERP CC(C)C[C@H](CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)[NH+](C)C ZINC000232600112 279161369 /nfs/dbraw/zinc/16/13/69/279161369.db2.gz DYYXEXIASVRKHB-MELADBBJSA-N 2 0 269.433 1.467 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000261649698 279317808 /nfs/dbraw/zinc/31/78/08/279317808.db2.gz DLQWVZAZGMOWDJ-RWMBFGLXSA-N 2 0 253.390 1.104 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000418195361 279374720 /nfs/dbraw/zinc/37/47/20/279374720.db2.gz FTMFXMAMJWBNRE-GXTWGEPZSA-N 2 0 282.432 1.251 10 0 CDAERP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)C1CCSCC1 ZINC000187049957 289972924 /nfs/dbraw/zinc/97/29/24/289972924.db2.gz FLHPKFUVEAQUQC-ZFWWWQNUSA-N 2 0 286.485 1.955 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261874375 280253533 /nfs/dbraw/zinc/25/35/33/280253533.db2.gz YEFNPSRBHAIBAB-RBSFLKMASA-N 2 0 281.444 1.742 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCOCC(F)F)[C@@H](C)C1 ZINC000248934993 280395665 /nfs/dbraw/zinc/39/56/65/280395665.db2.gz BWFCAAWWIUFUDI-NWDGAFQWSA-N 2 0 264.360 1.930 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)[C@H]1n1cccn1 ZINC000516173680 280925542 /nfs/dbraw/zinc/92/55/42/280925542.db2.gz YQTLPIWOQJVFJM-ZVDSWSACSA-N 2 0 292.427 1.579 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C[C@@H]1CC[NH2+]C1 ZINC000094447194 288290447 /nfs/dbraw/zinc/29/04/47/288290447.db2.gz KFPLACDDGBTRMU-HZSPNIEDSA-N 2 0 265.401 1.071 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000227401054 288292045 /nfs/dbraw/zinc/29/20/45/288292045.db2.gz ZNFMZMKXANDOTJ-KBUPBQIOSA-N 2 0 279.428 1.589 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC[C@@H]1CCC[NH+]1C ZINC000161867496 288305565 /nfs/dbraw/zinc/30/55/65/288305565.db2.gz SZYPTQVIXNIZGB-QLFBSQMISA-N 2 0 251.418 1.639 10 0 CDAERP C[C@H]1CCC[N@H+](CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000555545872 290224504 /nfs/dbraw/zinc/22/45/04/290224504.db2.gz HNRCHRPSEOVMHX-KKUMJFAQSA-N 2 0 281.444 1.565 10 0 CDAERP C(COC1CCOCC1)[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925878001 782054491 /nfs/dbraw/zinc/05/44/91/782054491.db2.gz OPRVWABEGWKSRY-IRXDYDNUSA-N 2 0 296.455 1.940 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000561259756 293069870 /nfs/dbraw/zinc/06/98/70/293069870.db2.gz SYGXCSXDOXNDMQ-HOTGVXAUSA-N 2 0 293.455 1.805 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCN1[C@@H](C)CCC[C@@H]1C ZINC000422888914 293095811 /nfs/dbraw/zinc/09/58/11/293095811.db2.gz OGVXMUIYIMCRRB-KKUMJFAQSA-N 2 0 271.449 1.593 10 0 CDAERP COc1ccccc1OCC[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000562958415 293226387 /nfs/dbraw/zinc/22/63/87/293226387.db2.gz HULSWKMLDVURJD-CHWSQXEVSA-N 2 0 264.369 1.662 10 0 CDAERP Cc1cnc(C)nc1NCCN1CCOC(C)(C)C1 ZINC000564474778 293363868 /nfs/dbraw/zinc/36/38/68/293363868.db2.gz XOVPCOPDVHBKPZ-UHFFFAOYSA-N 2 0 264.373 1.038 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)CC(C)(C)O)C1 ZINC000872204699 782058977 /nfs/dbraw/zinc/05/89/77/782058977.db2.gz BSDXXXAYQLZMAA-GJZGRUSLSA-N 2 0 286.460 1.466 10 0 CDAERP C[C@@H]1C[N@H+](C[C@H](O)C(C)(C)C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343695615 297022701 /nfs/dbraw/zinc/02/27/01/297022701.db2.gz RHCHJPOULWLKJJ-PMPSAXMXSA-N 2 0 297.487 1.351 10 0 CDAERP CN(C)c1cc[nH+]cc1C(=O)N1CCC(CC[NH3+])CC1 ZINC000568406409 294030910 /nfs/dbraw/zinc/03/09/10/294030910.db2.gz GJOMPAILDYUWFY-UHFFFAOYSA-N 2 0 276.384 1.349 10 0 CDAERP [NH3+]C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000568608513 294066259 /nfs/dbraw/zinc/06/62/59/294066259.db2.gz CEGWEOFGELZFDE-CRWXNKLISA-N 2 0 265.401 1.104 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000570282642 294209460 /nfs/dbraw/zinc/20/94/60/294209460.db2.gz YCLVFVSQOGWIHN-FZMZJTMJSA-N 2 0 261.369 1.199 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)N(C)CCC[NH3+])cc1 ZINC000572543546 294644715 /nfs/dbraw/zinc/64/47/15/294644715.db2.gz NIZUHPGOQNSQGW-NSHDSACASA-N 2 0 264.373 1.197 10 0 CDAERP Cc1ccc([C@H]([NH3+])C(=O)N2CC3CCC2(C[NH3+])CC3)cc1 ZINC000573216001 294775769 /nfs/dbraw/zinc/77/57/69/294775769.db2.gz PMTVKMJRCUVPIV-GULBITTBSA-N 2 0 287.407 1.725 10 0 CDAERP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000335428550 295260693 /nfs/dbraw/zinc/26/06/93/295260693.db2.gz HWSPIKXIRNYLCP-UKRRQHHQSA-N 2 0 273.380 1.071 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000261640174 297099513 /nfs/dbraw/zinc/09/95/13/297099513.db2.gz JUPOLNHIHHANFZ-RDBSUJKOSA-N 2 0 279.428 1.460 10 0 CDAERP C[C@H](CC[NH3+])NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000418516098 298421049 /nfs/dbraw/zinc/42/10/49/298421049.db2.gz CHFVYXPHUAGYLP-KGLIPLIRSA-N 2 0 282.432 1.384 10 0 CDAERP CCCCC[NH2+]C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001669312522 1173535028 /nfs/dbraw/zinc/53/50/28/1173535028.db2.gz AKUZFQMGMSVOQY-CYBMUJFWSA-N 2 0 269.433 1.755 10 0 CDAERP CCCC[NH2+]C[C@@H](C)NC(=O)[C@H](C)Cc1c[nH]cn1 ZINC001669421608 1173548062 /nfs/dbraw/zinc/54/80/62/1173548062.db2.gz QIFUKNXUIYENJP-VXGBXAGGSA-N 2 0 266.389 1.483 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000227276858 303465933 /nfs/dbraw/zinc/46/59/33/303465933.db2.gz FEWCJAQIIVSGDM-BFHYXJOUSA-N 2 0 265.401 1.201 10 0 CDAERP O=C(CCC1CC[NH2+]CC1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000362433868 303577311 /nfs/dbraw/zinc/57/73/11/303577311.db2.gz PWBHZDGUBDGCJE-HOTGVXAUSA-N 2 0 293.455 1.757 10 0 CDAERP O=C(NC[C@H]1CCC[NH2+]1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000335610570 303805534 /nfs/dbraw/zinc/80/55/34/303805534.db2.gz YTLKULMGAZBFGA-CABCVRRESA-N 2 0 294.443 1.398 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001669979045 1173638970 /nfs/dbraw/zinc/63/89/70/1173638970.db2.gz ANDWQDSIESOBRB-LSDHHAIUSA-N 2 0 281.444 1.757 10 0 CDAERP CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)C(C)C ZINC001669985138 1173639180 /nfs/dbraw/zinc/63/91/80/1173639180.db2.gz DGULVZIORFOAKS-KBPBESRZSA-N 2 0 269.433 1.611 10 0 CDAERP CCC[NH2+]CCCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001670353294 1173674854 /nfs/dbraw/zinc/67/48/54/1173674854.db2.gz UWRVEMZKPGZWIX-KBPBESRZSA-N 2 0 269.433 1.707 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000563578348 316332997 /nfs/dbraw/zinc/33/29/97/316332997.db2.gz MWFGUKGMZJJEPK-MELADBBJSA-N 2 0 282.432 1.301 10 0 CDAERP CC[C@H](C)C[C@@H](C)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000566115624 316480875 /nfs/dbraw/zinc/48/08/75/316480875.db2.gz DYTIUNQPDUOBNQ-ZNMIVQPWSA-N 2 0 271.449 1.009 10 0 CDAERP CSCC[C@@H]([NH3+])C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000577727987 317390211 /nfs/dbraw/zinc/39/02/11/317390211.db2.gz MKXFMJUUUHDOPO-ZWNOBZJWSA-N 2 0 281.425 1.403 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)COC2CCC([NH3+])CC2)CC1 ZINC000579104899 324104022 /nfs/dbraw/zinc/10/40/22/324104022.db2.gz OMIWPLBYTNNBGT-UHFFFAOYSA-N 2 0 297.443 1.262 10 0 CDAERP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@H](C)COC)CC1 ZINC000581766698 324831463 /nfs/dbraw/zinc/83/14/63/324831463.db2.gz JXRXDJJFVZOHBG-AWEZNQCLSA-N 2 0 271.449 1.275 10 0 CDAERP CC[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000583713167 325227584 /nfs/dbraw/zinc/22/75/84/325227584.db2.gz ODRRPRQDNLUBRK-IHRRRGAJSA-N 2 0 267.417 1.269 10 0 CDAERP CCC[NH2+]C1(C)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001673982321 1173903949 /nfs/dbraw/zinc/90/39/49/1173903949.db2.gz UBHCUYIQRMIFDO-UHFFFAOYSA-N 2 0 255.406 1.319 10 0 CDAERP Cc1n[nH]cc1C[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000724779705 1159210861 /nfs/dbraw/zinc/21/08/61/1159210861.db2.gz GRLYPGVFYJSNQM-UHFFFAOYSA-N 2 0 250.390 1.915 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000250253695 1159236760 /nfs/dbraw/zinc/23/67/60/1159236760.db2.gz IUEAHCAYEAKUAX-FPCVCCKLSA-N 2 0 293.455 1.755 10 0 CDAERP c1[nH+]cn2ccc(-c3noc([C@@H]4C[C@H]5C[C@H]5[NH2+]4)n3)cc12 ZINC000823164295 782096624 /nfs/dbraw/zinc/09/66/24/782096624.db2.gz RFWOTBDAIJCPFC-JLLWLGSASA-N 2 0 267.292 1.807 10 0 CDAERP C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]CC1CC1 ZINC001731600267 1159313742 /nfs/dbraw/zinc/31/37/42/1159313742.db2.gz UMXGDNAHUHJJQB-TZMCWYRMSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@H](C(=O)N1CC[C@H](C[NH2+]CCF)C1)[NH+]1CCCCCC1 ZINC001731675751 1159325635 /nfs/dbraw/zinc/32/56/35/1159325635.db2.gz MOFKVLKQADMIDO-HUUCEWRRSA-N 2 0 299.434 1.659 10 0 CDAERP CC[C@H](C(=O)N(C)CCC[NH2+]C[C@H]1CCCCO1)[NH+](C)C ZINC001268799879 1160017623 /nfs/dbraw/zinc/01/76/23/1160017623.db2.gz HGVZDLGSFYMQOD-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000228232074 482426856 /nfs/dbraw/zinc/42/68/56/482426856.db2.gz RMOOLKIXYJULQL-MELADBBJSA-N 2 0 265.401 1.058 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000652291813 482459077 /nfs/dbraw/zinc/45/90/77/482459077.db2.gz IWZQCBTVAVPNCH-SWLSCSKDSA-N 2 0 290.411 1.285 10 0 CDAERP [NH3+]CC12CCC(CC1)CN2C(=O)C1([NH3+])Cc2ccccc2C1 ZINC000653170771 482479573 /nfs/dbraw/zinc/47/95/73/482479573.db2.gz YJRGEUPQUXMCRF-UHFFFAOYSA-N 2 0 299.418 1.213 10 0 CDAERP CCN(C(=O)Nc1ccncc1C)[C@H]1CC[N@H+](CC)C1 ZINC000666493977 482483084 /nfs/dbraw/zinc/48/30/84/482483084.db2.gz PWYVAIICQCVOEG-ZDUSSCGKSA-N 2 0 276.384 1.760 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)CC2([NH3+])CCC2)cc1 ZINC000669512540 482527052 /nfs/dbraw/zinc/52/70/52/482527052.db2.gz YADFQKGETYQDCO-NSHDSACASA-N 2 0 261.369 1.594 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000417010335 482562020 /nfs/dbraw/zinc/56/20/20/482562020.db2.gz PCWPDIPFFUZONA-FRRDWIJNSA-N 2 0 270.421 1.286 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417290231 482578031 /nfs/dbraw/zinc/57/80/31/482578031.db2.gz SEFIKYCSVPOEDW-SOUVJXGZSA-N 2 0 296.459 1.358 10 0 CDAERP CCn1cnnc1CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000671752402 482644495 /nfs/dbraw/zinc/64/44/95/482644495.db2.gz VAGSMICJFFYZRP-MGPQQGTHSA-N 2 0 277.416 1.303 10 0 CDAERP C[NH+](C)C1(CNC(=O)[C@H]2CCc3nc[nH]c3C2)CCCC1 ZINC000666528577 482758154 /nfs/dbraw/zinc/75/81/54/482758154.db2.gz XLVLYIJVOIORDH-LBPRGKRZSA-N 2 0 290.411 1.505 10 0 CDAERP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)N2CC[NH+](C)CC2)C1 ZINC000684377700 482781034 /nfs/dbraw/zinc/78/10/34/482781034.db2.gz VDVNQNVLMWDYQW-RRFJBIMHSA-N 2 0 269.433 1.170 10 0 CDAERP C(CC1CC[NH2+]CC1)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000094440539 482786453 /nfs/dbraw/zinc/78/64/53/482786453.db2.gz WUUIODACEMCJHA-INIZCTEOSA-N 2 0 265.445 1.936 10 0 CDAERP O=C([C@@H]1[NH2+]CCc2ccccc21)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000520771011 482869422 /nfs/dbraw/zinc/86/94/22/482869422.db2.gz IPRPHPAZIUKYFL-AEFFLSMTSA-N 2 0 299.418 1.476 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000669403357 482888143 /nfs/dbraw/zinc/88/81/43/482888143.db2.gz WVHPXRSUXIJKHY-HUUCEWRRSA-N 2 0 294.443 1.254 10 0 CDAERP O=C(CC[C@H]1CCC[NH2+]1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000312063208 482894857 /nfs/dbraw/zinc/89/48/57/482894857.db2.gz DJMUQQXCDIIXKC-KGLIPLIRSA-N 2 0 265.401 1.215 10 0 CDAERP O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000243532099 482928029 /nfs/dbraw/zinc/92/80/29/482928029.db2.gz ODZKPJHIMAWVFU-UONOGXRCSA-N 2 0 279.428 1.509 10 0 CDAERP CC[C@@H]([NH3+])CNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000667148556 483110957 /nfs/dbraw/zinc/11/09/57/483110957.db2.gz AMFJMYFHDQNSOX-SNVBAGLBSA-N 2 0 274.328 1.126 10 0 CDAERP C[C@H](CNc1nccnc1NC[C@@H](C)[NH+](C)C)[NH+](C)C ZINC000682393093 483211852 /nfs/dbraw/zinc/21/18/52/483211852.db2.gz FMGKNKBFBSBJNY-VXGBXAGGSA-N 2 0 280.420 1.201 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)Cc2cnc3n2CCC3)[C@@H](C)C1 ZINC000667666271 483375939 /nfs/dbraw/zinc/37/59/39/483375939.db2.gz HODIJRKNYVCSNF-ZFWWWQNUSA-N 2 0 276.428 1.991 10 0 CDAERP C[N@@H+]1CC[C@]2(CCN(Cc3ccnn3-c3cc[nH+]cc3)C2)C1 ZINC000668188644 483602453 /nfs/dbraw/zinc/60/24/53/483602453.db2.gz KNIOYQSRSJOXPL-KRWDZBQOSA-N 2 0 297.406 1.795 10 0 CDAERP CC(C)[NH2+]CC1(C[N@@H+]2CCC[C@@H](O)C2)CCOCC1 ZINC000052197488 519719806 /nfs/dbraw/zinc/71/98/06/519719806.db2.gz FMYXICVBKSIMLA-CQSZACIVSA-N 2 0 270.417 1.238 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CC[C@H](COCCC[NH+](C)C)O1 ZINC000052672639 519723821 /nfs/dbraw/zinc/72/38/21/519723821.db2.gz CGPZDRTXTVILNE-UONOGXRCSA-N 2 0 258.406 1.500 10 0 CDAERP CC(C)C[NH+]1CCN([C@]2(C[NH3+])CC[N@@H+](C(C)C)C2)CC1 ZINC000055078108 519728692 /nfs/dbraw/zinc/72/86/92/519728692.db2.gz CVMPUFWPORDKGA-INIZCTEOSA-N 3 0 282.476 1.072 10 0 CDAERP CC(C)[NH2+][C@H](CC[NH+]1CCC(C[NH+](C)C)CC1)C(=O)[O-] ZINC000062460530 519738098 /nfs/dbraw/zinc/73/80/98/519738098.db2.gz DCSGMWMISCOWKY-CQSZACIVSA-N 2 0 285.432 1.101 10 0 CDAERP CC(C)C[NH2+]CC1(CN2CC[NH+](C)CC2)CCOCC1 ZINC000052180727 519742701 /nfs/dbraw/zinc/74/27/01/519742701.db2.gz WGVTUBCCEFJLBV-UHFFFAOYSA-N 2 0 283.460 1.276 10 0 CDAERP CC[NH2+]CCC(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000061292061 519918583 /nfs/dbraw/zinc/91/85/83/519918583.db2.gz UOMRGMAFPORWTN-UHFFFAOYSA-N 2 0 279.384 1.565 10 0 CDAERP CCC[NH2+]Cc1cn(CC[N@H+](C)C(CC)CC)nn1 ZINC000052478129 519960633 /nfs/dbraw/zinc/96/06/33/519960633.db2.gz AJJSYQGANNRSEB-UHFFFAOYSA-N 2 0 267.421 1.898 10 0 CDAERP CCC[NH2+][C@H](CN1CCN(CC[NH+](C)C)CC1)C(C)(C)C ZINC000061644029 520082969 /nfs/dbraw/zinc/08/29/69/520082969.db2.gz QRPCEQMQMBTJPG-MRXNPFEDSA-N 2 0 298.519 1.580 10 0 CDAERP CC[NH2+][C@@H](C)c1cnc(N2CCC[N@H+](C)CC2)s1 ZINC000054899130 520079449 /nfs/dbraw/zinc/07/94/49/520079449.db2.gz NWHSIGCKWNMHAE-NSHDSACASA-N 2 0 268.430 1.956 10 0 CDAERP CC[NH2+][C@@H]1CCC[C@@H]1CN1CCC[C@@H]1C[NH+](C)C ZINC000061653560 520117993 /nfs/dbraw/zinc/11/79/93/520117993.db2.gz XVYRFJYBXKIPGL-RBSFLKMASA-N 2 0 253.434 1.791 10 0 CDAERP CC[NH2+][C@](C)(CCC[N@H+](CC(C)C)C1CC1)C(N)=O ZINC000045422458 520227761 /nfs/dbraw/zinc/22/77/61/520227761.db2.gz ILGBFTZYQSYAPH-OAHLLOKOSA-N 2 0 269.433 1.741 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]CC3=CCCCC3)CC2)C1 ZINC001670900380 1161344301 /nfs/dbraw/zinc/34/43/01/1161344301.db2.gz POWZAHACQMEZHK-HNNXBMFYSA-N 2 0 291.439 1.677 10 0 CDAERP CCC[N@H+](C)CCN(C(=O)C[C@H]1CC[NH+](C)C1)C(C)C ZINC001486378251 1161453645 /nfs/dbraw/zinc/45/36/45/1161453645.db2.gz CTDHVEWBKYAMST-OAHLLOKOSA-N 2 0 283.460 1.907 10 0 CDAERP C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)C1 ZINC000923498408 1161545302 /nfs/dbraw/zinc/54/53/02/1161545302.db2.gz HSUAFLMDZXRXOR-MGPQQGTHSA-N 2 0 267.417 1.162 10 0 CDAERP C[NH2+]C(C)(C)C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000061318347 521938360 /nfs/dbraw/zinc/93/83/60/521938360.db2.gz MYIRZRDHFIAEAD-CYBMUJFWSA-N 2 0 263.385 1.404 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H](C)C[NH2+]C(C)C ZINC001716439636 1180210089 /nfs/dbraw/zinc/21/00/89/1180210089.db2.gz VMQAUODORLATRT-NWDGAFQWSA-N 2 0 261.385 1.169 10 0 CDAERP C[NH2+]Cc1cc(CN2CCC[C@H]2C[NH+](C)C)c(C)o1 ZINC000061654528 522106421 /nfs/dbraw/zinc/10/64/21/522106421.db2.gz SAXHWEANPQFKDV-AWEZNQCLSA-N 2 0 265.401 1.833 10 0 CDAERP CC[N@H+](CCNC(=O)CC[NH+](C)C)CC1CCCC1 ZINC001731809148 1182598542 /nfs/dbraw/zinc/59/85/42/1182598542.db2.gz FGBQBPGKLVRFPA-UHFFFAOYSA-N 2 0 269.433 1.566 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]C(C)C)CC1 ZINC001733265137 1183377279 /nfs/dbraw/zinc/37/72/79/1183377279.db2.gz NFOQAOJYQWTOPM-CYBMUJFWSA-N 2 0 267.417 1.508 10 0 CDAERP CCC[NH+]1CCN(CC[NH2+]Cc2ccoc2)CC1 ZINC000053344752 517584137 /nfs/dbraw/zinc/58/41/37/517584137.db2.gz LOHIWEWNGVFMLJ-UHFFFAOYSA-N 2 0 251.374 1.397 10 0 CDAERP CC(C)C[C@H](C)OC[C@@H](O)C[NH2+][C@@H](C)CC[NH+](C)C ZINC000049557246 519324621 /nfs/dbraw/zinc/32/46/21/519324621.db2.gz HBYYVXQQMHSLIY-KKUMJFAQSA-N 2 0 274.449 1.728 10 0 CDAERP CC(C)[NH+]1CCN(C(=O)[C@H]2CCC[C@H]([NH3+])[C@@H]2C)CC1 ZINC000055129227 519680250 /nfs/dbraw/zinc/68/02/50/519680250.db2.gz RJRQONUXELCVID-RDBSUJKOSA-N 2 0 267.417 1.303 10 0 CDAERP CC(C)NC(=O)CC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063200463 519702954 /nfs/dbraw/zinc/70/29/54/519702954.db2.gz YCDZSRAHEIOCMY-AWEZNQCLSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)C[C@@H]2CCCO2)O1 ZINC000052541063 519723963 /nfs/dbraw/zinc/72/39/63/519723963.db2.gz YPSSRCDKCRAVBC-SOUVJXGZSA-N 2 0 270.417 1.643 10 0 CDAERP CC(C)C[NH+]1CCN(CC[NH2+]CCCOC(C)C)CC1 ZINC000055075785 519726063 /nfs/dbraw/zinc/72/60/63/519726063.db2.gz VZFXBJIGPHRGOF-UHFFFAOYSA-N 2 0 285.476 1.665 10 0 CDAERP CC(C)C[NH+]1CCN(C[C@@H](O)c2ccc(C[NH3+])cc2)CC1 ZINC000055077728 519726441 /nfs/dbraw/zinc/72/64/41/519726441.db2.gz XIKHOAIACQWRIG-QGZVFWFLSA-N 2 0 291.439 1.452 10 0 CDAERP CC(C)C[NH2+]CCCN1CC[C@H]([NH+]2CCCC2)C1 ZINC000062972489 519743820 /nfs/dbraw/zinc/74/38/20/519743820.db2.gz AFMGTMVXNQYIFB-HNNXBMFYSA-N 2 0 253.434 1.792 10 0 CDAERP CC(C)[C@@H](CN(C)C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C)C1 ZINC000049197541 519793898 /nfs/dbraw/zinc/79/38/98/519793898.db2.gz VWSVAOHISRIQHZ-RBSFLKMASA-N 2 0 255.450 1.893 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)CCC1CCC([NH3+])CC1 ZINC000055139209 519813945 /nfs/dbraw/zinc/81/39/45/519813945.db2.gz LISXMDHGVLXWPW-NRXISQOPSA-N 2 0 283.460 1.987 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000236770637 519842832 /nfs/dbraw/zinc/84/28/32/519842832.db2.gz NJCBBNRMHYTFCI-INIZCTEOSA-N 2 0 289.423 1.925 10 0 CDAERP CCC[NH+]1CCN([C@@H](C[NH2+]C)c2ccccc2)CC1 ZINC000052422091 519859775 /nfs/dbraw/zinc/85/97/75/519859775.db2.gz IGAMOWAWEYOJGY-INIZCTEOSA-N 2 0 261.413 1.975 10 0 CDAERP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](CC)Cn2cncn2)C1 ZINC000353421799 519863858 /nfs/dbraw/zinc/86/38/58/519863858.db2.gz AUJZMTHWEUGKBU-KGLIPLIRSA-N 2 0 265.405 1.378 10 0 CDAERP CCC[NH2+]CC1(C[N@H+](CCCO)C(C)C)CCOCC1 ZINC000052198088 519909787 /nfs/dbraw/zinc/90/97/87/519909787.db2.gz QTGHYGQZQZTMSO-UHFFFAOYSA-N 2 0 286.460 1.876 10 0 CDAERP CC[NH2+]CCC(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000061286757 519916187 /nfs/dbraw/zinc/91/61/87/519916187.db2.gz LLGZNWDUOUARML-HNNXBMFYSA-N 2 0 293.411 1.414 10 0 CDAERP CC[NH2+]Cc1occc1CN1CC[NH+](CC)CC1 ZINC000052422355 520031778 /nfs/dbraw/zinc/03/17/78/520031778.db2.gz HUJOXQKMPSHIIE-UHFFFAOYSA-N 2 0 251.374 1.527 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000061269987 520066629 /nfs/dbraw/zinc/06/66/29/520066629.db2.gz KLJZQTYRBXAFNF-QWHCGFSZSA-N 2 0 255.406 1.365 10 0 CDAERP CCCO[C@H]1CCC[N@H+](CC2(C[NH2+]C)CCOCC2)C1 ZINC000052198045 520284845 /nfs/dbraw/zinc/28/48/45/520284845.db2.gz IGPHVLUTLIXLFE-HNNXBMFYSA-N 2 0 284.444 1.894 10 0 CDAERP CCC[C@H]([NH3+])C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000236845100 521110611 /nfs/dbraw/zinc/11/06/11/521110611.db2.gz XZJZNGYAVKYFAJ-LBPRGKRZSA-N 2 0 255.406 1.495 10 0 CDAERP CC[N@H+](CCOC)CCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000052542724 521134438 /nfs/dbraw/zinc/13/44/38/521134438.db2.gz RZHXEBCZGPTLAV-UHFFFAOYSA-N 2 0 283.420 1.135 10 0 CDAERP CC[NH+]1CCC(N(C)C[C@H](C)C[NH2+]C2CC2)CC1 ZINC000052543976 521565703 /nfs/dbraw/zinc/56/57/03/521565703.db2.gz AZJHQZGIBUFRCP-CYBMUJFWSA-N 2 0 253.434 1.791 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@H]1CCC[C@@H](C)[C@@H]1[NH3+] ZINC000055139760 521655374 /nfs/dbraw/zinc/65/53/74/521655374.db2.gz INJVDNACEFYCRZ-RDBSUJKOSA-N 2 0 269.433 1.550 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)CC1CCC([NH3+])CC1 ZINC000061656187 521829789 /nfs/dbraw/zinc/82/97/89/521829789.db2.gz LNNTZDMAPNMCJK-RUXDESIVSA-N 2 0 267.417 1.447 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1CC1(C[NH2+]C2CC2)CCOCC1 ZINC000061653718 521838635 /nfs/dbraw/zinc/83/86/35/521838635.db2.gz PWXXMSMWBVEJGF-INIZCTEOSA-N 2 0 295.471 1.561 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1Cc1csc(C[NH2+]C2CC2)n1 ZINC000061654731 521840473 /nfs/dbraw/zinc/84/04/73/521840473.db2.gz LNUHWTPEZHRGME-AWEZNQCLSA-N 2 0 294.468 1.921 10 0 CDAERP CN(C)C[C@@H]1CCC[N@@H+]1[C@@H]1CCCCC[C@@H]1C[NH3+] ZINC000061642527 521843678 /nfs/dbraw/zinc/84/36/78/521843678.db2.gz UHSKVYTXZOZZQF-QLFBSQMISA-N 2 0 253.434 1.920 10 0 CDAERP C[NH2+]C[C@H]1CC[C@H](C[NH+]2CCN(c3ccccc3)CC2)O1 ZINC000052417344 522097049 /nfs/dbraw/zinc/09/70/49/522097049.db2.gz CPKBMLGFQRSWEK-IAGOWNOFSA-N 2 0 289.423 1.576 10 0 CDAERP C[NH+](C)[C@H]1CCN([C@@H](C[NH3+])c2cc(F)c(F)c(F)c2)C1 ZINC000062964572 522105585 /nfs/dbraw/zinc/10/55/85/522105585.db2.gz MEIGQAVBDVDYQU-GWCFXTLKSA-N 2 0 287.329 1.740 10 0 CDAERP C[NH2+]Cc1cc(COCC[NH+]2CCCC2)c(C)o1 ZINC000052670499 522112404 /nfs/dbraw/zinc/11/24/04/522112404.db2.gz KCRFJKOSJSGPPP-UHFFFAOYSA-N 2 0 252.358 1.920 10 0 CDAERP CC[C@H]([NH3+])[C@H](c1cnn(C)c1)N1CCC[C@@H]1C[NH+](C)C ZINC000061641978 522345489 /nfs/dbraw/zinc/34/54/89/522345489.db2.gz ROYCUWMDSPQPAR-ILXRZTDVSA-N 2 0 279.432 1.225 10 0 CDAERP C[NH2+][C@@H](CN1CCC[C@@H]1C[NH+](C)C)c1cccc(OC)c1 ZINC000061643448 522353702 /nfs/dbraw/zinc/35/37/02/522353702.db2.gz HDWIHMNYWWICEG-WBVHZDCISA-N 2 0 291.439 1.982 10 0 CDAERP CC[C@@H](CC[NH3+])[N@@H+]1CCCN(C(=O)[C@@H]2CCCCO2)CC1 ZINC000050958399 522498382 /nfs/dbraw/zinc/49/83/82/522498382.db2.gz PGUUWDSGTWWGIE-GJZGRUSLSA-N 2 0 297.443 1.217 10 0 CDAERP C[N@H+](CCn1cc(C[NH2+]C(C)(C)C)nn1)C1CCOCC1 ZINC000052481200 522998582 /nfs/dbraw/zinc/99/85/82/522998582.db2.gz ADOWYXZKDJCIFH-UHFFFAOYSA-N 2 0 295.431 1.277 10 0 CDAERP COCCC[N@H+](CCOC)C[C@H](C)C[NH2+]C(C)C ZINC000052543217 523255285 /nfs/dbraw/zinc/25/52/85/523255285.db2.gz NGRLOWJJDJHWPG-CQSZACIVSA-N 2 0 260.422 1.605 10 0 CDAERP C[N@H+](Cc1ccc(F)cc1)CC1(O)CC[NH2+]CC1 ZINC000051016345 523250368 /nfs/dbraw/zinc/25/03/68/523250368.db2.gz HAFZCCZOSOQENS-UHFFFAOYSA-N 2 0 252.333 1.372 10 0 CDAERP CCn1cc(CN2CCC[N@H+](C[C@@H](C)C[NH3+])CC2)cn1 ZINC000050539197 523372646 /nfs/dbraw/zinc/37/26/46/523372646.db2.gz GKJXZRUHNUQHAV-AWEZNQCLSA-N 2 0 279.432 1.006 10 0 CDAERP CN(Cc1csc(C[NH3+])n1)C1CC[NH+](C)CC1 ZINC000052419860 523525428 /nfs/dbraw/zinc/52/54/28/523525428.db2.gz MVAGCXJBZRHJFR-UHFFFAOYSA-N 2 0 254.403 1.128 10 0 CDAERP COCC[N@H+](CC1(C[NH3+])CCOCC1)[C@H](C)C1CC1 ZINC000052183375 523687597 /nfs/dbraw/zinc/68/75/97/523687597.db2.gz ZYBRJEBUUQVWIB-CYBMUJFWSA-N 2 0 270.417 1.489 10 0 CDAERP COCC[NH+](CCCC[NH2+]C(C)(C)C)CCOC ZINC000052571331 523693990 /nfs/dbraw/zinc/69/39/90/523693990.db2.gz NOXQEKLEWQAEFZ-UHFFFAOYSA-N 2 0 260.422 1.750 10 0 CDAERP C[N@@H+]1CCCN(C(=O)C[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000055124350 523801812 /nfs/dbraw/zinc/80/18/12/523801812.db2.gz RFWRUFZSELLNDA-STQMWFEESA-N 2 0 253.390 1.058 10 0 CDAERP C[C@H]1CC[C@@H](C(=O)N2CCC(C[NH+](C)C)CC2)C[C@@H]1[NH3+] ZINC000055134891 524330079 /nfs/dbraw/zinc/33/00/79/524330079.db2.gz CMLCFBJNBVBGEI-CFVMTHIKSA-N 2 0 281.444 1.550 10 0 CDAERP Cc1ccc(C[N@H+](C)CCN2CCC[NH2+]CC2)o1 ZINC000061275003 524392531 /nfs/dbraw/zinc/39/25/31/524392531.db2.gz YKTITPXLQRFVKH-UHFFFAOYSA-N 2 0 251.374 1.315 10 0 CDAERP C[C@@H](CC[NH+](C)C)[NH2+]C[C@H](O)COC1CCCC1 ZINC000049557143 524474660 /nfs/dbraw/zinc/47/46/60/524474660.db2.gz NNVPXEPCPSUUHK-STQMWFEESA-N 2 0 258.406 1.236 10 0 CDAERP C[C@@H](CC[NH2+]C1CC1)N1CC[NH+](C(C)(C)C)CC1 ZINC000052571719 524498894 /nfs/dbraw/zinc/49/88/94/524498894.db2.gz HLUPJSRAPGXJMM-ZDUSSCGKSA-N 2 0 253.434 1.933 10 0 CDAERP C[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc(C[NH3+])cc1 ZINC000049149398 524590638 /nfs/dbraw/zinc/59/06/38/524590638.db2.gz QILWRYQCSISUBC-LBPRGKRZSA-N 2 0 261.369 1.359 10 0 CDAERP C[C@H]([NH3+])[C@@H](c1ccco1)N1CCC[C@@H]1C[NH+](C)C ZINC000061642086 524839514 /nfs/dbraw/zinc/83/95/14/524839514.db2.gz ITKVUUHXKQONBR-SCRDCRAPSA-N 2 0 251.374 1.694 10 0 CDAERP C[C@H]1C[C@H]([NH3+])CC[C@@H]1C(=O)NCC[NH+]1CCCCCC1 ZINC000055136269 524904879 /nfs/dbraw/zinc/90/48/79/524904879.db2.gz BTRAPWZEUIIYRN-ZNMIVQPWSA-N 2 0 281.444 1.742 10 0 CDAERP C[C@H]([NH2+]CCCC[NH+](C)C)c1cccc(S(N)(=O)=O)c1 ZINC000045663934 525332132 /nfs/dbraw/zinc/33/21/32/525332132.db2.gz JOXWNOGLQSQEJF-LBPRGKRZSA-N 2 0 299.440 1.326 10 0 CDAERP Cc1cc([C@@H](C[NH3+])N2CCC[N@@H+](C)CC2)ccc1F ZINC000050545936 525482111 /nfs/dbraw/zinc/48/21/11/525482111.db2.gz DOKNALXASPBRLA-OAHLLOKOSA-N 2 0 265.376 1.771 10 0 CDAERP C[C@@H](c1cccc(N)c1)[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061642310 526074489 /nfs/dbraw/zinc/07/44/89/526074489.db2.gz DUZQMPWRRPIKNJ-AWEZNQCLSA-N 2 0 276.428 1.509 10 0 CDAERP [NH3+]C[C@H](N1CCC(C[NH+]2CCCC2)CC1)C(F)(F)F ZINC000062038006 527226417 /nfs/dbraw/zinc/22/64/17/527226417.db2.gz PGHFTVLUNFDFBT-LBPRGKRZSA-N 2 0 279.350 1.684 10 0 CDAERP [NH3+]Cc1cc(CN2CC[NH+](C3CCCC3)CC2)on1 ZINC000052573510 527247618 /nfs/dbraw/zinc/24/76/18/527247618.db2.gz XJOHRFROAGXGNO-UHFFFAOYSA-N 2 0 264.373 1.194 10 0 CDAERP [NH3+][C@@H]1CCCC[C@@H]1C(=O)NCC[NH+]1CCCCCC1 ZINC000055089287 527342450 /nfs/dbraw/zinc/34/24/50/527342450.db2.gz YWRKRWNDHSKSGJ-UONOGXRCSA-N 2 0 267.417 1.496 10 0 CDAERP CC(C)[NH+]1CCC(N(C)C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000091548265 535151410 /nfs/dbraw/zinc/15/14/10/535151410.db2.gz BLWYAEXUHYIUFV-OLZOCXBDSA-N 2 0 267.417 1.445 10 0 CDAERP C[NH+](C)Cc1cc(CN[C@H]2CCC[C@@H]2[NH3+])ccc1F ZINC000422739628 535991156 /nfs/dbraw/zinc/99/11/56/535991156.db2.gz AIMGSGSKZJEPSE-GJZGRUSLSA-N 2 0 265.376 1.857 10 0 CDAERP CN(C(=O)N[C@H]1CCCC[C@H]1C[NH3+])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418403025 536052278 /nfs/dbraw/zinc/05/22/78/536052278.db2.gz HWSHXHICFMRYJX-WQKZHXONSA-N 2 0 294.443 1.428 10 0 CDAERP C[NH2+][C@H]1CCCN(C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000418473292 536409881 /nfs/dbraw/zinc/40/98/81/536409881.db2.gz XMBNQJOJQJFOMV-DOMZBBRYSA-N 2 0 290.411 1.600 10 0 CDAERP COCc1ccc(C[NH2+][C@H](CCC[NH3+])COC)cc1 ZINC000422810087 536781953 /nfs/dbraw/zinc/78/19/53/536781953.db2.gz RFFSWDMFBPJXDO-OAHLLOKOSA-N 2 0 266.385 1.677 10 0 CDAERP C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650752852 574439327 /nfs/dbraw/zinc/43/93/27/574439327.db2.gz BUQWJLZFDUGODV-QMTHXVAHSA-N 2 0 251.349 1.324 10 0 CDAERP COC(=O)/C(C)=C\CN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000748825940 576928010 /nfs/dbraw/zinc/92/80/10/576928010.db2.gz ZVTJMTMAVPKQDG-OEWWAVFSSA-N 2 0 280.412 1.769 10 0 CDAERP CC(C)(C)OC(=O)[C@H]1C[NH2+]CC12C[C@H]1CC[C@@H](C2)[NH2+]1 ZINC000757183633 577034328 /nfs/dbraw/zinc/03/43/28/577034328.db2.gz DIDFORNGBKORNA-GFPRJFBKSA-N 2 0 266.385 1.448 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001688897627 1175059304 /nfs/dbraw/zinc/05/93/04/1175059304.db2.gz ZSIQONHDZDCWFQ-YIEVGGLXSA-N 2 0 293.455 1.971 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCC(C)C)C1 ZINC001690107570 1175376938 /nfs/dbraw/zinc/37/69/38/1175376938.db2.gz RRHMBQNTDVCETC-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCN2CC=CCC2)C1 ZINC000925662825 617609253 /nfs/dbraw/zinc/60/92/53/617609253.db2.gz LRTALDPNQNZIIN-ZIAGYGMSSA-N 2 0 251.418 1.744 10 0 CDAERP C(C[NH2+][C@@H]1CC[NH2+]C12CCC2)COCC1CCOCC1 ZINC000925510878 617413682 /nfs/dbraw/zinc/41/36/82/617413682.db2.gz AYLRCADQEURZHX-OAHLLOKOSA-N 2 0 282.428 1.694 10 0 CDAERP C[N@@H+]1CC[C@@](O)(CN[C@@H](c2ccccn2)C2CCC2)C1 ZINC000926173193 617442075 /nfs/dbraw/zinc/44/20/75/617442075.db2.gz IWRRKDUTOZHKPT-HZPDHXFCSA-N 2 0 275.396 1.579 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2cn3ccccc3n2)C12CCC2 ZINC000925535622 617469572 /nfs/dbraw/zinc/46/95/72/617469572.db2.gz HSIKEYRTTKKXIZ-ZIAGYGMSSA-N 2 0 270.380 1.736 10 0 CDAERP C[C@H]1[C@H](C)OC[C@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000926356420 617494103 /nfs/dbraw/zinc/49/41/03/617494103.db2.gz HWAFVAIGKYSHAA-MELADBBJSA-N 2 0 269.433 1.025 10 0 CDAERP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925614384 617559699 /nfs/dbraw/zinc/55/96/99/617559699.db2.gz INAJJUFPONORIU-XWUBHJNHSA-N 2 0 264.369 1.951 10 0 CDAERP CC1(C)C[C@@H]([NH2+]C[C@@H](O)C2CCOCC2)C[C@@H]([NH3+])C1 ZINC000925619602 617565245 /nfs/dbraw/zinc/56/52/45/617565245.db2.gz PMRPNTASEMIODK-HZSPNIEDSA-N 2 0 270.417 1.270 10 0 CDAERP CC1(C)CC[C@H]([NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1 ZINC000925858149 617896463 /nfs/dbraw/zinc/89/64/63/617896463.db2.gz SFHNSSOQPWPHEI-STQMWFEESA-N 2 0 280.412 1.840 10 0 CDAERP CC1(C)[C@@H]([NH2+][C@@H]2CCc3nc[nH]c3C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925668035 617622255 /nfs/dbraw/zinc/62/22/55/617622255.db2.gz FQOHLFIJNCEKDT-FIXIBIHLSA-N 2 0 274.412 1.633 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CCC2(CCOCC2)CO1 ZINC000925773844 617653803 /nfs/dbraw/zinc/65/38/03/617653803.db2.gz PSXNRHAYMAFMQK-ZNMIVQPWSA-N 2 0 282.428 1.822 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925777092 617674303 /nfs/dbraw/zinc/67/43/03/617674303.db2.gz NVYVIGDONZYXEN-AFLAQZCCSA-N 3 0 273.371 1.337 10 0 CDAERP COC[C@H](N[C@H](C)[C@@H]1CCC[NH2+]1)[C@H]1CCCOC1 ZINC000925781417 617692036 /nfs/dbraw/zinc/69/20/36/617692036.db2.gz YLXLDNJIFCLZEV-RFGFWPKPSA-N 2 0 256.390 1.158 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000925785635 617708015 /nfs/dbraw/zinc/70/80/15/617708015.db2.gz LSINIMCKSZRJKR-CAEXGNQWSA-N 2 0 252.402 1.637 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)CC1 ZINC000925810928 617753851 /nfs/dbraw/zinc/75/38/51/617753851.db2.gz CEGQEHNTQIAKAF-GDBMZVCRSA-N 2 0 265.445 1.968 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@H](c2cncc(F)c2)C2CC2)CC1 ZINC000925816396 617772216 /nfs/dbraw/zinc/77/22/16/617772216.db2.gz GHVHVTOGOPXQKS-INIZCTEOSA-N 2 0 292.402 1.685 10 0 CDAERP NC(=O)[C@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925719220 617842603 /nfs/dbraw/zinc/84/26/03/617842603.db2.gz MKMWNSSCQGHRGJ-SYQHCUMBSA-N 2 0 265.401 1.008 10 0 CDAERP CC1(C)[C@@H]([NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925833510 617858675 /nfs/dbraw/zinc/85/86/75/617858675.db2.gz SQTWXVGHRPNOPA-QZOBBIQNSA-N 2 0 280.412 1.157 10 0 CDAERP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925840329 617871086 /nfs/dbraw/zinc/87/10/86/617871086.db2.gz VDKYIHLDQHEIKC-YIDVYQOGSA-N 3 0 263.429 1.496 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]CCCCCN2CC[NH2+]CC2)c2nccn21 ZINC000925845010 617879140 /nfs/dbraw/zinc/87/91/40/617879140.db2.gz DPKYJCPKGVKEJY-LSDHHAIUSA-N 2 0 291.443 1.554 10 0 CDAERP CC[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)C(C)C ZINC000925854110 617891843 /nfs/dbraw/zinc/89/18/43/617891843.db2.gz KQCQSEKXVOQAPK-QWHCGFSZSA-N 2 0 268.401 1.696 10 0 CDAERP Cn1nccc1[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000925889523 617980928 /nfs/dbraw/zinc/98/09/28/617980928.db2.gz KIRCEFIYSZJQJS-HLPPOEQASA-N 2 0 292.427 1.354 10 0 CDAERP CC(C)COC[C@H](O)C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000923416455 618326216 /nfs/dbraw/zinc/32/62/16/618326216.db2.gz WSTRGIRTJIXWQT-GDBMZVCRSA-N 2 0 286.460 1.717 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](O)c1ccc(C)cc1 ZINC000817891630 618484604 /nfs/dbraw/zinc/48/46/04/618484604.db2.gz FTXMJKKCGFFFRD-HUUCEWRRSA-N 2 0 266.385 1.372 10 0 CDAERP C[C@@H]1[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[N@@H+]1C ZINC000928437956 619080337 /nfs/dbraw/zinc/08/03/37/619080337.db2.gz LRAYXMIXSMHXJR-TZMCWYRMSA-N 2 0 276.384 1.117 10 0 CDAERP C[C@@H](CCNCc1ccnn1-c1cc[nH+]cc1)[NH+](C)C ZINC000895293284 619525584 /nfs/dbraw/zinc/52/55/84/619525584.db2.gz YBSRYQUJXWQZFY-ZDUSSCGKSA-N 2 0 273.384 1.697 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CC[NH+]2C(C)(C)C)CC[N@@H+]1C ZINC000896624982 620164977 /nfs/dbraw/zinc/16/49/77/620164977.db2.gz ZQKNBGAIXFRONK-HZSPNIEDSA-N 2 0 281.444 1.800 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000866704845 621579843 /nfs/dbraw/zinc/57/98/43/621579843.db2.gz YSQPFHLHTMQTGT-OAHLLOKOSA-N 3 0 253.434 1.683 10 0 CDAERP CCN1CC[NH+](CCCC[NH2+][C@@H]2CN3C[C@@H]2CCC3)CC1 ZINC000924661176 621639635 /nfs/dbraw/zinc/63/96/35/621639635.db2.gz SADUOBWFXRLITC-DLBZAZTESA-N 2 0 294.487 1.088 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](C)[C@H](C(C)(C)C)C2)CC[N@@H+]1C ZINC000898383693 621718903 /nfs/dbraw/zinc/71/89/03/621718903.db2.gz BLCNZSHSYIFRLU-ZNMIVQPWSA-N 2 0 295.471 1.905 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CC([NH+]2CCCC2)C1 ZINC000898609597 621817929 /nfs/dbraw/zinc/81/79/29/621817929.db2.gz AZYKHAWVAWSBPJ-UHFFFAOYSA-N 2 0 253.390 1.025 10 0 CDAERP CN(C(=O)[C@@H]1CC[N@@H+]1C(C)(C)C)[C@H]1C[NH+]2CCC1CC2 ZINC000900660267 623340034 /nfs/dbraw/zinc/34/00/34/623340034.db2.gz CRJLIHLAVMSLBF-KBPBESRZSA-N 2 0 279.428 1.412 10 0 CDAERP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C12CC[NH+](CC1)C2 ZINC000900705860 623387855 /nfs/dbraw/zinc/38/78/55/623387855.db2.gz MZJNZQXZLBOHSC-AWEZNQCLSA-N 2 0 279.428 1.463 10 0 CDAERP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902466803 624859062 /nfs/dbraw/zinc/85/90/62/624859062.db2.gz MXUCVXJVEVLBER-YQUYXMIOSA-N 2 0 299.418 1.725 10 0 CDAERP C[C@]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)(C(N)=O)c1ccccc1 ZINC000903459516 625994941 /nfs/dbraw/zinc/99/49/41/625994941.db2.gz UXOXNCAADDFVJA-OSAQELSMSA-N 2 0 261.369 1.104 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000903460871 625995891 /nfs/dbraw/zinc/99/58/91/625995891.db2.gz KNCBYTQPNCZDIY-JKJDWNRSSA-N 3 0 281.444 1.203 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000903461861 625996468 /nfs/dbraw/zinc/99/64/68/625996468.db2.gz YXHBOZZKGYYBDH-APIJFGDWSA-N 2 0 252.402 1.733 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN(CC(F)(F)C(F)F)CC2)C1 ZINC000903444221 625997986 /nfs/dbraw/zinc/99/79/86/625997986.db2.gz QBHJICAYANVIGO-WDEREUQCSA-N 2 0 297.340 1.632 10 0 CDAERP Cn1ccc([C@H]2CCC[N@H+](C[C@@H]3CC[C@H]([NH3+])C3)C2)n1 ZINC000903564551 626020930 /nfs/dbraw/zinc/02/09/30/626020930.db2.gz ZDLNIPRKHYIAAP-RDBSUJKOSA-N 2 0 262.401 1.727 10 0 CDAERP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000903784065 626093123 /nfs/dbraw/zinc/09/31/23/626093123.db2.gz KJMROTCRMOGYMW-XJFOESAGSA-N 2 0 268.426 1.050 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCCC2(C)C)cnn1C ZINC000903889074 626123742 /nfs/dbraw/zinc/12/37/42/626123742.db2.gz OCYHNEYRRPPDFV-ZDUSSCGKSA-N 2 0 264.417 1.720 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)CC2CCCC2)cnn1C ZINC000903888936 626123946 /nfs/dbraw/zinc/12/39/46/626123946.db2.gz NEUOAVLIUJJABA-HNNXBMFYSA-N 2 0 278.444 1.968 10 0 CDAERP Cc1c(C[C@H](C[NH3+])CN(C)CC[C@H]([NH3+])C(C)C)cnn1C ZINC000903874012 626128107 /nfs/dbraw/zinc/12/81/07/626128107.db2.gz QKPQZOFEUBRZSQ-ZBFHGGJFSA-N 2 0 295.475 1.151 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[NH2+]C2(C)CCOCC2)cnn1C ZINC000903902827 626139668 /nfs/dbraw/zinc/13/96/68/626139668.db2.gz NUPHLCYUIHXEFW-CYBMUJFWSA-N 2 0 280.416 1.005 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])CN2CCCC[C@H]2CC[NH3+])cnn1C ZINC000903915331 626144590 /nfs/dbraw/zinc/14/45/90/626144590.db2.gz AVTDPYDPMKQFJE-HOCLYGCPSA-N 2 0 293.459 1.049 10 0 CDAERP CCC(CC)[C@@H](O)C[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903922973 626148000 /nfs/dbraw/zinc/14/80/00/626148000.db2.gz IPKFSFNRQWRTCF-ZFWWWQNUSA-N 2 0 295.431 1.089 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[NH2+]CCc2cccs2)cnn1C ZINC000903924334 626148243 /nfs/dbraw/zinc/14/82/43/626148243.db2.gz CURZWSSPFYGONM-ZDUSSCGKSA-N 2 0 292.452 1.740 10 0 CDAERP [NH3+][C@@H](CC(F)F)CN1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000903931773 626151733 /nfs/dbraw/zinc/15/17/33/626151733.db2.gz HVHSOWHWYUGDMJ-XQHKEYJVSA-N 2 0 291.386 1.330 10 0 CDAERP N[C@H]1CCCCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903936029 626153819 /nfs/dbraw/zinc/15/38/19/626153819.db2.gz XEVUJBTXYMHUOI-WIGRTHMWSA-N 2 0 251.418 1.720 10 0 CDAERP COC[C@H](CC(C)C)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903958184 626158392 /nfs/dbraw/zinc/15/83/92/626158392.db2.gz WWGLDIMRNKNNOV-RYUDHWBXSA-N 2 0 264.360 1.882 10 0 CDAERP C(c1nc2c(s1)CCCC2)N1CC[NH2+]CC[NH2+]CC1 ZINC000904396695 626273426 /nfs/dbraw/zinc/27/34/26/626273426.db2.gz MVVCVXWCRZEGEP-UHFFFAOYSA-N 2 0 280.441 1.017 10 0 CDAERP CC1CC[NH+](CCNC(=[NH2+])NC[C@H]2CCCS2)CC1 ZINC000905041562 626380901 /nfs/dbraw/zinc/38/09/01/626380901.db2.gz KLSXECWODWMPHC-CYBMUJFWSA-N 2 0 284.473 1.728 10 0 CDAERP C(c1noc(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1)C1CC[NH2+]CC1 ZINC000905319000 626746609 /nfs/dbraw/zinc/74/66/09/626746609.db2.gz SYAWSEOKMKPCHQ-AGUYFDCRSA-N 2 0 290.411 1.685 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)CCC2(O)CCC2)C[C@H]1C ZINC000905934779 627049937 /nfs/dbraw/zinc/04/99/37/627049937.db2.gz RIBYKAIPSITIAK-PMPSAXMXSA-N 2 0 298.471 1.847 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000906584073 627337690 /nfs/dbraw/zinc/33/76/90/627337690.db2.gz FWEXVQDEPHIRTF-ZDUSSCGKSA-N 2 0 267.417 1.461 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC000908176873 628052908 /nfs/dbraw/zinc/05/29/08/628052908.db2.gz GDLQJWPDJFLSKF-OWCLPIDISA-N 2 0 293.455 1.994 10 0 CDAERP CC(C)(C(=O)N1CC[C@H]([NH+]2CCC2)C1)[NH+]1CCCCC1 ZINC000912899168 630267134 /nfs/dbraw/zinc/26/71/34/630267134.db2.gz XYGMFMDIZRNUIF-AWEZNQCLSA-N 2 0 279.428 1.558 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)NCCC[NH+]2CCC(C)CC2)CC[N@@H+]1C ZINC000913936989 630904321 /nfs/dbraw/zinc/90/43/21/630904321.db2.gz FRIVQYNCXJQKBO-CABCVRRESA-N 2 0 296.459 1.500 10 0 CDAERP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)N[C@H]1CCC[NH+](C)C1 ZINC000914315213 631335807 /nfs/dbraw/zinc/33/58/07/631335807.db2.gz NGPHZSROMXRRLB-LSDHHAIUSA-N 2 0 296.459 1.452 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CC[NH+]2C)[C@@H](C)C1 ZINC000925407898 631400316 /nfs/dbraw/zinc/40/03/16/631400316.db2.gz HHGPRQYPOPYAHW-MJBXVCDLSA-N 2 0 282.432 1.062 10 0 CDAERP C1CC1[C@H]1COC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000914435913 631470802 /nfs/dbraw/zinc/47/08/02/631470802.db2.gz MGJTXAGYXOOCGZ-TUVASFSCSA-N 2 0 250.386 1.628 10 0 CDAERP CC(=O)NCCCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000929836799 631510699 /nfs/dbraw/zinc/51/06/99/631510699.db2.gz SGUMLEKBSPVJGM-UHFFFAOYSA-N 2 0 290.411 1.510 10 0 CDAERP CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CCCF)C1)[NH+](C)C ZINC001691150840 1158936174 /nfs/dbraw/zinc/93/61/74/1158936174.db2.gz ZRKLTQMKNDTKMD-IHRRRGAJSA-N 2 0 287.423 1.417 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH2+]C/C=C/Cl ZINC001266993998 1159071838 /nfs/dbraw/zinc/07/18/38/1159071838.db2.gz HPRDZVAGEWEBTC-QRGHLMKCSA-N 2 0 261.797 1.173 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001731632462 1159318411 /nfs/dbraw/zinc/31/84/11/1159318411.db2.gz IGJRJFIQUSNQIP-UONOGXRCSA-N 2 0 267.417 1.389 10 0 CDAERP C[C@@H]1C[N@@H+]([C@H]2CCN(c3ccccc3)C2=O)CC[C@H]1C[NH3+] ZINC000923498692 1161544756 /nfs/dbraw/zinc/54/47/56/1161544756.db2.gz KVGVHBGKEJNITA-YCPHGPKFSA-N 2 0 287.407 1.709 10 0 CDAERP C[NH2+][C@H](C)CCNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC001771781675 1161964287 /nfs/dbraw/zinc/96/42/87/1161964287.db2.gz XJSOIPVUEJBUSH-DOMZBBRYSA-N 2 0 289.423 1.793 10 0 CDAERP Cn1ncc2cc(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)cnc21 ZINC000865411868 1164643554 /nfs/dbraw/zinc/64/35/54/1164643554.db2.gz IQCXFROBKNCCEQ-LBPRGKRZSA-N 2 0 285.395 1.542 10 0 CDAERP CCOc1cc(F)cc(CNC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000865427199 1164644888 /nfs/dbraw/zinc/64/48/88/1164644888.db2.gz QHPFFRPMTVAWQN-OAHLLOKOSA-N 2 0 296.386 1.771 10 0 CDAERP CC[NH+]1CCC(C[NH2+]Cc2cnc3c(cnn3C)c2)CC1 ZINC000865451595 1164648520 /nfs/dbraw/zinc/64/85/20/1164648520.db2.gz SJYAVCDAFWYZMR-UHFFFAOYSA-N 2 0 287.411 1.790 10 0 CDAERP Cc1c[nH+]ccc1N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC000866256980 1164758555 /nfs/dbraw/zinc/75/85/55/1164758555.db2.gz DLUCZPPNPZQJOT-UHFFFAOYSA-N 2 0 275.396 1.939 10 0 CDAERP NC(=O)c1ccc(CC[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000866658968 1164802547 /nfs/dbraw/zinc/80/25/47/1164802547.db2.gz AUPFDTQJMOYQER-UHFFFAOYSA-N 2 0 287.407 1.404 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)C1 ZINC000870913699 1165232481 /nfs/dbraw/zinc/23/24/81/1165232481.db2.gz DPYCAMHCPYBUBM-PJPCKVBYSA-N 2 0 292.408 1.025 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872309382 1165414211 /nfs/dbraw/zinc/41/42/11/1165414211.db2.gz UPWPHHREYLGFCX-MROQNXINSA-N 2 0 253.390 1.151 10 0 CDAERP CCOC(CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)OCC ZINC000124549633 1165564474 /nfs/dbraw/zinc/56/44/74/1165564474.db2.gz SQAMQYKNZZWZLR-CHWSQXEVSA-N 2 0 258.406 1.800 10 0 CDAERP CC[NH+](CC)CC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001647017514 1168350650 /nfs/dbraw/zinc/35/06/50/1168350650.db2.gz XJJRULVBUNDCTA-KGLIPLIRSA-N 2 0 271.449 1.809 10 0 CDAERP CC[C@](C)(O)C[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001648659173 1169146698 /nfs/dbraw/zinc/14/66/98/1169146698.db2.gz ACWUXFFSRUEWOC-HRCADAONSA-N 2 0 266.429 1.955 10 0 CDAERP CC(C)OCCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001568291288 1169227454 /nfs/dbraw/zinc/22/74/54/1169227454.db2.gz GOJXQMCFEJAVIX-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP O=C(C[NH+]1CCCC1)NC/C=C\C[NH2+]CCC(F)(F)F ZINC001568963893 1169563954 /nfs/dbraw/zinc/56/39/54/1169563954.db2.gz KMGOSHQUIHOZSB-UPHRSURJSA-N 2 0 293.333 1.297 10 0 CDAERP C([NH2+][C@H]1C[C@@H]2COC[C@@H]21)C1CC[NH+](CC2CC2)CC1 ZINC001652885783 1171488225 /nfs/dbraw/zinc/48/82/25/1171488225.db2.gz VXEXXWFVMMAEIY-PMPSAXMXSA-N 2 0 264.413 1.733 10 0 CDAERP CCOCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001666902129 1173205157 /nfs/dbraw/zinc/20/51/57/1173205157.db2.gz DNXUSTDRLDPRGW-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP CCC[NH2+]C/C=C\CNC(=O)C[NH+]1CCC(C)CC1 ZINC001669107669 1173505388 /nfs/dbraw/zinc/50/53/88/1173505388.db2.gz NVOLJJKKKNMWEA-PLNGDYQASA-N 2 0 267.417 1.390 10 0 CDAERP O=C(C[NH+]1CCCC1)NC/C=C/C[NH2+]CC1CCCCC1 ZINC001669189654 1173515662 /nfs/dbraw/zinc/51/56/62/1173515662.db2.gz QAPUFOSAWVWFFG-SNAWJCMRSA-N 2 0 293.455 1.925 10 0 CDAERP COCCC[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001690788708 1175572913 /nfs/dbraw/zinc/57/29/13/1175572913.db2.gz UYFQBDWICZCZJI-CABCVRRESA-N 2 0 299.459 1.380 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCNC(=O)C[NH+](C)C1CCC1 ZINC001690947488 1175623983 /nfs/dbraw/zinc/62/39/83/1175623983.db2.gz OQYYDRYTDVGUCR-ZDUSSCGKSA-N 2 0 269.433 1.565 10 0 CDAERP CC[NH2+][C@H]1CCCCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001692135167 1175681802 /nfs/dbraw/zinc/68/18/02/1175681802.db2.gz NNXNOGXCBDMXRN-AWEZNQCLSA-N 2 0 269.433 1.707 10 0 CDAERP CC[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]C(C)C ZINC001698601704 1175867613 /nfs/dbraw/zinc/86/76/13/1175867613.db2.gz DNIOYLOACDHURC-UONOGXRCSA-N 2 0 269.433 1.754 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H](CC[NH2+]CC2CCC2)C1 ZINC001698680474 1175894125 /nfs/dbraw/zinc/89/41/25/1175894125.db2.gz ZUZZKLXWYRGHKR-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]C(C)C ZINC001698823391 1175950834 /nfs/dbraw/zinc/95/08/34/1175950834.db2.gz GBAOXKFPRKVUKR-KGLIPLIRSA-N 2 0 269.433 1.706 10 0 CDAERP CC(C)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001699409346 1176374026 /nfs/dbraw/zinc/37/40/26/1176374026.db2.gz WHTBPUWVRMISGA-STQMWFEESA-N 2 0 255.406 1.221 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C[NH2+]CC[C@@H]1CCCCO1)[NH+](C)C ZINC001699409156 1176374355 /nfs/dbraw/zinc/37/43/55/1176374355.db2.gz SGBHMUYNAXWTER-SOUVJXGZSA-N 2 0 299.459 1.380 10 0 CDAERP CCCC[NH2+]C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001699426665 1176389998 /nfs/dbraw/zinc/38/99/98/1176389998.db2.gz XCCBPDCKLHIONM-AWEZNQCLSA-N 2 0 269.433 1.613 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)[C@H](C)Cc1c[nH]cn1)C1CC1 ZINC001699595018 1176493095 /nfs/dbraw/zinc/49/30/95/1176493095.db2.gz LSJRJZPZZFBDSM-MFKMUULPSA-N 2 0 264.373 1.093 10 0 CDAERP CC[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1[NH2+]CCOC ZINC001699607286 1176497243 /nfs/dbraw/zinc/49/72/43/1176497243.db2.gz VAXNNWKOFGXEIQ-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP CCOCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001699751854 1176607712 /nfs/dbraw/zinc/60/77/12/1176607712.db2.gz JEGNPFDWTMZLIZ-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001699955451 1176697031 /nfs/dbraw/zinc/69/70/31/1176697031.db2.gz ZNFUOUQSNDQYDB-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]C/C=C/Cl)C1 ZINC001700126264 1176759206 /nfs/dbraw/zinc/75/92/06/1176759206.db2.gz GAXUVUPEHZLTSU-QFVHEQCKSA-N 2 0 299.846 1.661 10 0 CDAERP CC[C@H](C)C[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001700490326 1176980736 /nfs/dbraw/zinc/98/07/36/1176980736.db2.gz ZPXDHFKJLVAIIZ-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C/C=C\Cl)C1 ZINC001700640174 1177050264 /nfs/dbraw/zinc/05/02/64/1177050264.db2.gz WRHGBHCIROHDOM-FDWHTEOGSA-N 2 0 299.846 1.708 10 0 CDAERP C[C@@H](CCC[NH2+]CCF)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001700681280 1177071102 /nfs/dbraw/zinc/07/11/02/1177071102.db2.gz MFWLGKKEGIRDFW-QWHCGFSZSA-N 2 0 273.396 1.172 10 0 CDAERP CCCCC[NH2+][C@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001700767561 1177122076 /nfs/dbraw/zinc/12/20/76/1177122076.db2.gz LXYUSTWUUWFQTG-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP CC[NH+](CC)CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001707459612 1178058759 /nfs/dbraw/zinc/05/87/59/1178058759.db2.gz UOQXGNFRKQRINP-UHFFFAOYSA-N 2 0 269.433 1.709 10 0 CDAERP CC/C=C\CC[NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001713205571 1178430943 /nfs/dbraw/zinc/43/09/43/1178430943.db2.gz OFEXGVCCIYQKDG-JQBDECOXSA-N 2 0 291.439 1.675 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001713443296 1178561447 /nfs/dbraw/zinc/56/14/47/1178561447.db2.gz LLIDNBYLBOZHNX-ZIAGYGMSSA-N 2 0 267.417 1.319 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001713443295 1178561699 /nfs/dbraw/zinc/56/16/99/1178561699.db2.gz LLIDNBYLBOZHNX-UONOGXRCSA-N 2 0 267.417 1.319 10 0 CDAERP CN(CC[NH2+]Cc1ccnc(Cl)c1)C(=O)CC[NH+](C)C ZINC001713630291 1178689250 /nfs/dbraw/zinc/68/92/50/1178689250.db2.gz KPWOVVBKSSIMEI-UHFFFAOYSA-N 2 0 298.818 1.235 10 0 CDAERP COCCC[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001714763773 1179385579 /nfs/dbraw/zinc/38/55/79/1179385579.db2.gz NNNDDKWFMBPWLM-HNNXBMFYSA-N 2 0 299.459 1.334 10 0 CDAERP CC[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC=C(C)C ZINC001715083083 1179544099 /nfs/dbraw/zinc/54/40/99/1179544099.db2.gz INBOJHUZLYSQPZ-HUUCEWRRSA-N 2 0 281.444 1.779 10 0 CDAERP C[C@H](C[NH2+]CCCO)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001715364790 1179644143 /nfs/dbraw/zinc/64/41/43/1179644143.db2.gz DNZXUYAMIUWYPO-CABCVRRESA-N 2 0 299.459 1.070 10 0 CDAERP CC(C)=CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001715736962 1179784662 /nfs/dbraw/zinc/78/46/62/1179784662.db2.gz VVEIXCLQTHIQOT-LSDHHAIUSA-N 2 0 281.444 1.777 10 0 CDAERP CC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001715830532 1179853974 /nfs/dbraw/zinc/85/39/74/1179853974.db2.gz BDLMJJOEDXTMLG-MRYXHSKJSA-N 2 0 265.401 1.285 10 0 CDAERP CC[C@@H](F)C[N@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001716037377 1180011529 /nfs/dbraw/zinc/01/15/29/1180011529.db2.gz BXAWYMWWNSBZDJ-NWDGAFQWSA-N 2 0 261.385 1.123 10 0 CDAERP CC(C)CCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CN(C)CCO1 ZINC001716128874 1180060875 /nfs/dbraw/zinc/06/08/75/1180060875.db2.gz RKCWGFZESDYIMX-CABCVRRESA-N 2 0 299.459 1.238 10 0 CDAERP CC(C)[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001716168706 1180081094 /nfs/dbraw/zinc/08/10/94/1180081094.db2.gz QNSIKHIUUUPJOX-RDBSUJKOSA-N 2 0 269.433 1.610 10 0 CDAERP C[C@H](C[NH2+]CCC(F)(F)F)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001716400449 1180186670 /nfs/dbraw/zinc/18/66/70/1180186670.db2.gz BECIATGNSBMPCL-GHMZBOCLSA-N 2 0 295.349 1.517 10 0 CDAERP CCCCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001716401041 1180188104 /nfs/dbraw/zinc/18/81/04/1180188104.db2.gz ZNVLQHCBZSHFPG-ZIAGYGMSSA-N 2 0 269.433 1.755 10 0 CDAERP C[C@@H](C[NH2+]CCCF)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001716441611 1180211957 /nfs/dbraw/zinc/21/19/57/1180211957.db2.gz AMAYGOPKTZXWCG-ZDUSSCGKSA-N 2 0 285.407 1.316 10 0 CDAERP C[C@@H](C[NH2+]CCF)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001716464817 1180225545 /nfs/dbraw/zinc/22/55/45/1180225545.db2.gz BEJXHXAIWIWEOQ-LBPRGKRZSA-N 2 0 281.375 1.426 10 0 CDAERP C[NH+]1CCC(CC(=O)N[C@H](C[NH2+]CCF)C2CC2)CC1 ZINC001716624106 1180311377 /nfs/dbraw/zinc/31/13/77/1180311377.db2.gz PNSSEUNKKKVVCX-CQSZACIVSA-N 2 0 285.407 1.172 10 0 CDAERP CCC[NH+]1CCC(C)(NC(=O)CC[NH+](C)C)CC1 ZINC001716797357 1180418636 /nfs/dbraw/zinc/41/86/36/1180418636.db2.gz UQOAWNASEMLQKS-UHFFFAOYSA-N 2 0 255.406 1.319 10 0 CDAERP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CCC1CC1 ZINC001716995674 1180496867 /nfs/dbraw/zinc/49/68/67/1180496867.db2.gz WBBYNGUNWISHGT-GOEBONIOSA-N 2 0 293.455 1.566 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001717004759 1180498599 /nfs/dbraw/zinc/49/85/99/1180498599.db2.gz ZGCXXBORZQJJLK-JYJNAYRXSA-N 2 0 295.471 1.860 10 0 CDAERP COCC[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CCC1 ZINC001717154583 1180551305 /nfs/dbraw/zinc/55/13/05/1180551305.db2.gz FMUABAMYPYHLME-UHFFFAOYSA-N 2 0 297.443 1.136 10 0 CDAERP CCC[NH2+][C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001717290039 1180605530 /nfs/dbraw/zinc/60/55/30/1180605530.db2.gz FPELUYBVWRCKFG-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP CCOCCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001717293384 1180608168 /nfs/dbraw/zinc/60/81/68/1180608168.db2.gz LCUBTQNRZDGBMN-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCOC(C)C)[C@@H]1C ZINC001717801603 1180863600 /nfs/dbraw/zinc/86/36/00/1180863600.db2.gz GTNJKKFBLVKZDS-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP CN(C(=O)CCCC[NH+](C)C)C1CC([NH2+]CC2CC2)C1 ZINC001717999259 1180964262 /nfs/dbraw/zinc/96/42/62/1180964262.db2.gz QJLXUYPSQGQXNZ-UHFFFAOYSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[NH2+]CCOCCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001718010203 1180966701 /nfs/dbraw/zinc/96/67/01/1180966701.db2.gz SJAQBVAJSUXOJO-UHFFFAOYSA-N 2 0 299.459 1.334 10 0 CDAERP CCCC[NH2+]C[C@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001723301028 1181534710 /nfs/dbraw/zinc/53/47/10/1181534710.db2.gz OBUZIZHOMCVENQ-CVEARBPZSA-N 2 0 293.455 1.613 10 0 CDAERP CCC[NH2+]C[C@]1(C)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001724269467 1181659283 /nfs/dbraw/zinc/65/92/83/1181659283.db2.gz XOLQOLSRPNXNED-HNNXBMFYSA-N 2 0 267.417 1.320 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]CCC2CC2)C1 ZINC001724597263 1181700702 /nfs/dbraw/zinc/70/07/02/1181700702.db2.gz AQKKOMKNUBOWQS-GOEBONIOSA-N 2 0 295.471 1.812 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC=C(C)C)[C@@H](C)C1 ZINC001724946963 1181804153 /nfs/dbraw/zinc/80/41/53/1181804153.db2.gz LYEACCQROCLLLF-GJZGRUSLSA-N 2 0 281.444 1.731 10 0 CDAERP CC(C)=CC[NH2+]CC1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001725064647 1181841091 /nfs/dbraw/zinc/84/10/91/1181841091.db2.gz NEMSRYNADNSIQK-PRLABOORSA-N 2 0 293.455 1.777 10 0 CDAERP CCC[NH2+]CC1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001725073396 1181845509 /nfs/dbraw/zinc/84/55/09/1181845509.db2.gz IMGGELNVKTZJHY-IYXRBSQSSA-N 2 0 267.417 1.223 10 0 CDAERP C[NH+]1CCC(CC(=O)NC2CC(C[NH2+]CCF)C2)CC1 ZINC001725071973 1181846246 /nfs/dbraw/zinc/84/62/46/1181846246.db2.gz UVAYEGKHCPRVKG-UHFFFAOYSA-N 2 0 285.407 1.172 10 0 CDAERP CC(C)=CC[NH+](C)[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001725188037 1181912935 /nfs/dbraw/zinc/91/29/35/1181912935.db2.gz NNDHDWIEXJKMKJ-CABCVRRESA-N 2 0 281.444 1.731 10 0 CDAERP CC(C)C[N@H+](C)CCOCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001725431646 1181997632 /nfs/dbraw/zinc/99/76/32/1181997632.db2.gz CDIZOMOJGOZFJO-OAHLLOKOSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001725450568 1182005882 /nfs/dbraw/zinc/00/58/82/1182005882.db2.gz LFBGEJYAZBHLQG-HOTGVXAUSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001725663505 1182090638 /nfs/dbraw/zinc/09/06/38/1182090638.db2.gz SZPVHCUDMJOQBZ-CVEARBPZSA-N 2 0 293.455 1.923 10 0 CDAERP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC([NH2+]CCCCCF)C1 ZINC001725788982 1182132362 /nfs/dbraw/zinc/13/23/62/1182132362.db2.gz ACNGKNGLQDJMPM-NFOMZHRRSA-N 2 0 299.434 1.657 10 0 CDAERP CC/C=C\CC[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001731771022 1182565285 /nfs/dbraw/zinc/56/52/85/1182565285.db2.gz GOZRXPDTCWIAOS-YOVCOIKASA-N 2 0 281.444 1.731 10 0 CDAERP O=C(NC1(C[NH2+]CCF)CCCC1)C12CC[NH+](CC1)C2 ZINC001732235527 1182873753 /nfs/dbraw/zinc/87/37/53/1182873753.db2.gz YCKASSIGDHAPRW-UHFFFAOYSA-N 2 0 283.391 1.070 10 0 CDAERP C[NH+]1CCC(C(=O)N[C@H]2CCC[C@H]2C[NH2+]CCF)CC1 ZINC001732623302 1183052542 /nfs/dbraw/zinc/05/25/42/1183052542.db2.gz YTPUCRWIMRCRRV-KBPBESRZSA-N 2 0 285.407 1.172 10 0 CDAERP CC(C)[C@H](C(=O)N[C@@H](C)CC[NH2+]CCF)[NH+]1CCCC1 ZINC001732754330 1183109743 /nfs/dbraw/zinc/10/97/43/1183109743.db2.gz MADNIZCVYMMXOZ-UONOGXRCSA-N 2 0 287.423 1.561 10 0 CDAERP CCN(CC[NH2+]CCCF)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001732800722 1183130575 /nfs/dbraw/zinc/13/05/75/1183130575.db2.gz BRDISRPTBZUMHE-LSDHHAIUSA-N 2 0 299.434 1.801 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]CCOC(C)C)CC[N@@H+]1C ZINC001732995764 1183227958 /nfs/dbraw/zinc/22/79/58/1183227958.db2.gz GHZFQMZVIFSNQW-SOUVJXGZSA-N 2 0 299.459 1.236 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CCCF)CC2)CC[N@@H+]1C ZINC001733245477 1183367496 /nfs/dbraw/zinc/36/74/96/1183367496.db2.gz NISNMNBRRVVRGB-QWHCGFSZSA-N 2 0 285.407 1.315 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]CCCF)C1 ZINC001733557747 1183465941 /nfs/dbraw/zinc/46/59/41/1183465941.db2.gz CRGHLTASASBEAC-UONOGXRCSA-N 2 0 287.423 1.370 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001733691403 1183498216 /nfs/dbraw/zinc/49/82/16/1183498216.db2.gz FKPMWILWHIDXLK-SHTZXODSSA-N 2 0 281.444 1.757 10 0 CDAERP CCOCCC[NH2+][C@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001733991536 1183605212 /nfs/dbraw/zinc/60/52/12/1183605212.db2.gz SNHSFPRFIOUTML-KGLIPLIRSA-N 2 0 299.459 1.238 10 0 CDAERP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]CC1CCC1 ZINC001734354455 1183744509 /nfs/dbraw/zinc/74/45/09/1183744509.db2.gz LFBZZLYAMBCSKK-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@H]1CCOCC[N@@H+]1C[C@@H](O)CN(C)Cc1ccccc1 ZINC000305772426 1186651838 /nfs/dbraw/zinc/65/18/38/1186651838.db2.gz LAEKMRWDPWFLJZ-RDJZCZTQSA-N 2 0 292.423 1.590 10 0 CDAERP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CC1CCC(O)CC1 ZINC001771782846 1186870235 /nfs/dbraw/zinc/87/02/35/1186870235.db2.gz TYNJCZUIYHERBW-BHIOZNAESA-N 2 0 296.455 1.721 10 0 CDAERP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CCC1CC1 ZINC001331544266 957129606 /nfs/dbraw/zinc/12/96/06/957129606.db2.gz PRURAKNHOCKXFY-GFCCVEGCSA-N 2 0 255.406 1.175 10 0 CDAERP C[C@H]1C[C@@H]1NC(=[NH2+])NCC1([NH+]2CCCC2)CCOCC1 ZINC000864457249 1164547374 /nfs/dbraw/zinc/54/73/74/1164547374.db2.gz BVRKKZAHXQHUGW-STQMWFEESA-N 2 0 280.416 1.154 10 0 CDAERP Cc1[nH+]ccc(N[C@H]2CC[N@H+](CC(C)(C)O)C2)c1Cl ZINC000865998672 1164718478 /nfs/dbraw/zinc/71/84/78/1164718478.db2.gz QWRDLRZZYFUTLS-NSHDSACASA-N 2 0 283.803 1.722 10 0 CDAERP C[C@@H]1C[C@@H](C)[N@H+](CCc2ccc(C(N)=O)cc2)C[C@@H]1C[NH3+] ZINC000866667845 1164804079 /nfs/dbraw/zinc/80/40/79/1164804079.db2.gz ZYZGWXBAPNKZRJ-IOASZLSFSA-N 2 0 289.423 1.633 10 0 CDAERP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCc2ccc(C(N)=O)cc2)C1 ZINC000866659072 1164803458 /nfs/dbraw/zinc/80/34/58/1164803458.db2.gz HCXZWHVPLQOFCR-WFASDCNBSA-N 2 0 275.396 1.387 10 0 CDAERP Cc1cnc(CN2CC[C@@](C[NH3+])(C(C)(C)C)C2)cn1 ZINC000866706303 1164811081 /nfs/dbraw/zinc/81/10/81/1164811081.db2.gz NWWUJLHJQUYREN-HNNXBMFYSA-N 2 0 262.401 1.982 10 0 CDAERP CC1(C)C[C@@H](O)C[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000866702629 1164811930 /nfs/dbraw/zinc/81/19/30/1164811930.db2.gz DFBWSWQRGVDXPF-CQSZACIVSA-N 2 0 254.418 1.859 10 0 CDAERP C[N@@H+]1CC[C@H]2CN(CCCC3CC[NH2+]CC3)CC[C@H]21 ZINC000866703359 1164812212 /nfs/dbraw/zinc/81/22/12/1164812212.db2.gz HKENDCUAOWZUDC-JKSUJKDBSA-N 2 0 265.445 1.792 10 0 CDAERP C[C@@H](C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C(C)(C)C ZINC000866711141 1164813875 /nfs/dbraw/zinc/81/38/75/1164813875.db2.gz CTUGQCQXHRFCIV-DGAVXFQQSA-N 2 0 295.427 1.536 10 0 CDAERP C[NH+](C)C[C@@H]1CN(C(=O)OC2CCC2)C[C@H]1C[NH+](C)C ZINC000867588981 1164841494 /nfs/dbraw/zinc/84/14/94/1164841494.db2.gz AGHXWPZFLHIGOW-CHWSQXEVSA-N 2 0 283.416 1.347 10 0 CDAERP C[C@@H](CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)[N@@H+]1CCC[C@@H](C)C1 ZINC000870866073 1165224119 /nfs/dbraw/zinc/22/41/19/1165224119.db2.gz LWCQHLQGVOUPRE-AQRJEWBLSA-N 2 0 279.428 1.350 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]CCOC ZINC001566535137 1168322543 /nfs/dbraw/zinc/32/25/43/1168322543.db2.gz NWPRRUPWFKFZIW-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP CCC[NH2+][C@H]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001566842222 1168441164 /nfs/dbraw/zinc/44/11/64/1168441164.db2.gz PICIZTWGOIVYAL-MJBXVCDLSA-N 2 0 267.417 1.508 10 0 CDAERP CCCC[NH2+][C@H](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001567217108 1168625933 /nfs/dbraw/zinc/62/59/33/1168625933.db2.gz DUBQJNNNDXMCLJ-CYBMUJFWSA-N 2 0 269.433 1.755 10 0 CDAERP CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001272474553 913180890 /nfs/dbraw/zinc/18/08/90/913180890.db2.gz HWXKYPKKBJUFQP-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000724537074 894625560 /nfs/dbraw/zinc/62/55/60/894625560.db2.gz WPKZZHSKDAURQZ-RQJABVFESA-N 2 0 265.401 1.199 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]([NH2+]CC1CC1)C1CC1)[NH+](C)C ZINC001266439739 894907712 /nfs/dbraw/zinc/90/77/12/894907712.db2.gz VOWMTDLAXMCCJQ-ZIAGYGMSSA-N 2 0 267.417 1.221 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[C@@H]1C[NH3+])c1ccccc1 ZINC000715205540 913917142 /nfs/dbraw/zinc/91/71/42/913917142.db2.gz BNEGUUVCZPOYNK-MCIONIFRSA-N 2 0 261.369 1.000 10 0 CDAERP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000834546964 895523396 /nfs/dbraw/zinc/52/33/96/895523396.db2.gz XOJPMRVTFLHJCD-ZIAGYGMSSA-N 2 0 269.433 1.613 10 0 CDAERP COCCC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)C1CC1 ZINC001266606964 895530225 /nfs/dbraw/zinc/53/02/25/895530225.db2.gz KBUNPWOJBAGDCD-HNNXBMFYSA-N 2 0 297.443 1.088 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001266725443 895924576 /nfs/dbraw/zinc/92/45/76/895924576.db2.gz HXPNHEXQBURIID-MJBXVCDLSA-N 2 0 269.433 1.610 10 0 CDAERP CN(CC[NH2+]CCF)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001266754270 895975129 /nfs/dbraw/zinc/97/51/29/895975129.db2.gz NRMSQYNOONLYKU-UHFFFAOYSA-N 2 0 287.423 1.657 10 0 CDAERP CCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723887956 896254212 /nfs/dbraw/zinc/25/42/12/896254212.db2.gz ZWHUVSJFXIJWRT-FRRDWIJNSA-N 2 0 255.406 1.208 10 0 CDAERP C[C@@H](C(=O)Nc1ccccc1)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723907866 896263459 /nfs/dbraw/zinc/26/34/59/896263459.db2.gz OKYWPTKMAUOFQY-HZSPNIEDSA-N 2 0 275.396 1.930 10 0 CDAERP O=C(N1CCCC[C@@H]1C[NH2+]CCCF)C12CC[NH+](CC1)C2 ZINC001266881438 896272617 /nfs/dbraw/zinc/27/26/17/896272617.db2.gz VZVGHPCTDIRCIK-CQSZACIVSA-N 2 0 297.418 1.413 10 0 CDAERP CN(CC[NH2+]CCc1ccccc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001267072177 896690790 /nfs/dbraw/zinc/69/07/90/896690790.db2.gz UNHARYBXTRKGQA-INIZCTEOSA-N 2 0 289.423 1.229 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=[NH2+])NC2CCCCC2)C1 ZINC000052047348 897156399 /nfs/dbraw/zinc/15/63/99/897156399.db2.gz XVELLNWIAHWXMM-GFCCVEGCSA-N 2 0 252.406 1.775 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)C1CC[NH+](C)CC1 ZINC000724661192 897230519 /nfs/dbraw/zinc/23/05/19/897230519.db2.gz VBYVQRNRAMVJMD-ATGSNQNLSA-N 2 0 268.401 1.110 10 0 CDAERP CC(C)(C)NC(=O)CC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405212728 897567216 /nfs/dbraw/zinc/56/72/16/897567216.db2.gz DLZALVSCZLIFNH-MNOVXSKESA-N 2 0 253.390 1.151 10 0 CDAERP CC[NH2+]CCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001267393519 897856471 /nfs/dbraw/zinc/85/64/71/897856471.db2.gz JKHOWLDCPSRSFR-UHFFFAOYSA-N 2 0 260.341 1.324 10 0 CDAERP CN(CC[NH2+]Cc1cncc(F)c1)C(=O)CCC[NH+](C)C ZINC001267420295 897880048 /nfs/dbraw/zinc/88/00/48/897880048.db2.gz XQIMCSBLGPCQTL-UHFFFAOYSA-N 2 0 296.390 1.111 10 0 CDAERP CN(CC[NH2+]CC1CCC1)C(=O)CCC[NH+]1CCCC1 ZINC001567611798 1168885889 /nfs/dbraw/zinc/88/58/89/1168885889.db2.gz VIGMCEVTJOOWDQ-UHFFFAOYSA-N 2 0 281.444 1.711 10 0 CDAERP CC[N@@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001267726199 899401860 /nfs/dbraw/zinc/40/18/60/899401860.db2.gz VYIMWCWRQNRSHY-QWHCGFSZSA-N 2 0 253.390 1.071 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@](C)(C[NH2+]CCF)C1CC1 ZINC001267853775 899877185 /nfs/dbraw/zinc/87/71/85/899877185.db2.gz RCYXBDVBMBSWPN-HOCLYGCPSA-N 2 0 299.434 1.703 10 0 CDAERP CCCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001267961191 900082929 /nfs/dbraw/zinc/08/29/29/900082929.db2.gz YMWHMXUDHIUASJ-HUUCEWRRSA-N 2 0 281.444 1.851 10 0 CDAERP C[C@H](CC[NH+](C)C)[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000695909985 900091434 /nfs/dbraw/zinc/09/14/34/900091434.db2.gz MNIMOAGRNUQZSE-GFCCVEGCSA-N 2 0 285.432 1.783 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]C/C=C/Cl ZINC001267986631 900200352 /nfs/dbraw/zinc/20/03/52/900200352.db2.gz NPYOMSIYYMOLCF-VXFYQTAOSA-N 2 0 287.835 1.421 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000104220791 900371814 /nfs/dbraw/zinc/37/18/14/900371814.db2.gz UZNPCQAVNVUOTI-ILXRZTDVSA-N 2 0 251.418 1.402 10 0 CDAERP FC(F)(F)[C@@H]1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)O1 ZINC000722392948 901224867 /nfs/dbraw/zinc/22/48/67/901224867.db2.gz XVCCMHMAVUDFGE-RTWBTXMESA-N 2 0 278.318 1.969 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]CCF ZINC001268198830 901555632 /nfs/dbraw/zinc/55/56/32/901555632.db2.gz XMOUSHRSVOYNRN-KBPBESRZSA-N 2 0 287.423 1.513 10 0 CDAERP CC(C)[NH+]1CC(CNC(=O)CCCC[NH+](C)C)C1 ZINC001481656098 901728105 /nfs/dbraw/zinc/72/81/05/901728105.db2.gz MEWDWPGEPGHCDB-UHFFFAOYSA-N 2 0 255.406 1.175 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CCF)CCC1 ZINC001268283653 901741977 /nfs/dbraw/zinc/74/19/77/901741977.db2.gz ZTNIBKLSTRXUFV-QWHCGFSZSA-N 2 0 285.407 1.315 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@H](O)CC3CCCC3)C[C@H]21 ZINC000300072027 901890947 /nfs/dbraw/zinc/89/09/47/901890947.db2.gz HTJOOCLOSQVAMB-KLHDSHLOSA-N 2 0 266.429 1.987 10 0 CDAERP Cc1cnc(C[NH2+]CC[C@@H](C)NC(=O)C[N@H+](C)C(C)C)o1 ZINC001268426636 902041284 /nfs/dbraw/zinc/04/12/84/902041284.db2.gz QLVXCQCXFSALKA-GFCCVEGCSA-N 2 0 296.415 1.308 10 0 CDAERP CCN(CC[NH2+]CC(C)C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001268460432 902174416 /nfs/dbraw/zinc/17/44/16/902174416.db2.gz CVHTUBJYIOIVTC-CQSZACIVSA-N 2 0 269.433 1.565 10 0 CDAERP CC[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]CCF ZINC001481854793 902229728 /nfs/dbraw/zinc/22/97/28/902229728.db2.gz GNZPUIOTWYJTHE-ZIAGYGMSSA-N 2 0 287.423 1.705 10 0 CDAERP CCN(CC[NH2+]C/C=C\Cl)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001268479525 902295914 /nfs/dbraw/zinc/29/59/14/902295914.db2.gz KXZWPVUFYBNLFO-RYWCDNDXSA-N 2 0 287.835 1.519 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC(CC[NH2+]CC2CCC2)CC1 ZINC001482003833 902460226 /nfs/dbraw/zinc/46/02/26/902460226.db2.gz KWUBWAHTYPHUEM-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001482135414 902696508 /nfs/dbraw/zinc/69/65/08/902696508.db2.gz AMJKTBDLWVZELO-CYBMUJFWSA-N 2 0 255.406 1.246 10 0 CDAERP CC(C)[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001268595120 902728792 /nfs/dbraw/zinc/72/87/92/902728792.db2.gz HBMNYNGMDMTHKK-LFAOLKIESA-N 2 0 281.444 1.920 10 0 CDAERP O=C(C[NH+]1CCCC1)NC/C=C\C[NH2+]CC1CCCC1 ZINC001268625916 902838729 /nfs/dbraw/zinc/83/87/29/902838729.db2.gz VYZYJGJBTBTPBZ-ARJAWSKDSA-N 2 0 279.428 1.534 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC/C=C/C[NH2+]CCC1CC1 ZINC001268627119 902839508 /nfs/dbraw/zinc/83/95/08/902839508.db2.gz FXWYDMDFJUADHX-MRINAFOASA-N 2 0 293.455 1.921 10 0 CDAERP CC(C)[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001269083100 903405799 /nfs/dbraw/zinc/40/57/99/903405799.db2.gz AOCHQTYNMGGNOU-KBPBESRZSA-N 2 0 267.417 1.364 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001269352954 903732575 /nfs/dbraw/zinc/73/25/75/903732575.db2.gz XJTWEVRDEXDBHC-CYBMUJFWSA-N 2 0 255.406 1.173 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001363038913 904228809 /nfs/dbraw/zinc/22/88/09/904228809.db2.gz OGQYXQXEYFCABM-LSDHHAIUSA-N 2 0 295.471 1.907 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCC1CC1 ZINC001270075920 904325187 /nfs/dbraw/zinc/32/51/87/904325187.db2.gz MRUWOCBYMZSOKN-JKSUJKDBSA-N 2 0 293.455 1.851 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+]CC[C@H](C)F ZINC001270166356 904410558 /nfs/dbraw/zinc/41/05/58/904410558.db2.gz VCNZBYGLHXBTHL-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP COCCC[NH+]1CCC(C)(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001270267178 904491349 /nfs/dbraw/zinc/49/13/49/904491349.db2.gz YQANDVSJKMCCFE-UHFFFAOYSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)=CC[NH+]1CC[C@@](C)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001270650576 904883612 /nfs/dbraw/zinc/88/36/12/904883612.db2.gz WMVAFUSCXSKCMR-DOTOQJQBSA-N 2 0 293.455 1.875 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC)C1 ZINC001482322932 905000366 /nfs/dbraw/zinc/00/03/66/905000366.db2.gz FSMIRLABGSFWLY-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP CCCCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001270967555 905506384 /nfs/dbraw/zinc/50/63/84/905506384.db2.gz JKFQSELUDPOCFB-GOEBONIOSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]CC(C)C ZINC001423053967 905874877 /nfs/dbraw/zinc/87/48/77/905874877.db2.gz AVOGIUHETMCUHD-GJZGRUSLSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCCCNC(=[NH2+])NC1CC1 ZINC000848989317 906558196 /nfs/dbraw/zinc/55/81/96/906558196.db2.gz NPSXQKKYUIWXIQ-LBPRGKRZSA-N 2 0 252.406 1.917 10 0 CDAERP [NH3+]CCC[N@H+](C[C@@H](O)c1ccc(F)cc1)C1CC1 ZINC000841008670 906845675 /nfs/dbraw/zinc/84/56/75/906845675.db2.gz CWCXQOYIDBRFJK-CQSZACIVSA-N 2 0 252.333 1.672 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)CC[NH2+]CC1CCOCC1)[NH+](C)C ZINC001482848108 908425529 /nfs/dbraw/zinc/42/55/29/908425529.db2.gz XBLOFUPDKZMSHP-UKRRQHHQSA-N 2 0 299.459 1.238 10 0 CDAERP C[C@@H](CC[NH2+]C/C=C/Cl)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001482860078 908430839 /nfs/dbraw/zinc/43/08/39/908430839.db2.gz FDYYOSQKSHRDIR-BLWPOKMGSA-N 2 0 273.808 1.318 10 0 CDAERP CCN(CC[NH2+]CC1CCC1)C(=O)C[NH+]1CCC(C)CC1 ZINC001482958143 908533425 /nfs/dbraw/zinc/53/34/25/908533425.db2.gz PKSFPKDIDIWSRX-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@@H]1CN(C(=O)CCCCCC[NH3+])C[C@@]1(C)C[NH3+] ZINC000841855964 908725631 /nfs/dbraw/zinc/72/56/31/908725631.db2.gz KJLZSCRGLYOKKJ-TZMCWYRMSA-N 2 0 255.406 1.339 10 0 CDAERP CC[C@H](C)C[NH2+]C/C=C/CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001483059080 909191919 /nfs/dbraw/zinc/19/19/19/909191919.db2.gz NRSKAIGGOQBAAJ-WHJWBVKISA-N 2 0 281.444 1.636 10 0 CDAERP CC(C)[C@H]1CN(C(=O)N[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@@H+]1C ZINC000925358216 921498065 /nfs/dbraw/zinc/49/80/65/921498065.db2.gz ZBTMQRSAJCIQAC-MGPQQGTHSA-N 2 0 282.432 1.061 10 0 CDAERP C[N@@H+]1CCN(C(=O)CC[NH2+]C(C)(C)C)CCC1(C)C ZINC000712687406 909575136 /nfs/dbraw/zinc/57/51/36/909575136.db2.gz YSTXNMRHGXHQAN-UHFFFAOYSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000713056348 909605430 /nfs/dbraw/zinc/60/54/30/909605430.db2.gz CXTIPGOXFXNNJZ-CHWSQXEVSA-N 2 0 269.433 1.454 10 0 CDAERP CCO[C@@H]1C[N@H+](C[C@H]2CCC(C)(C)CO2)C[C@H]1C[NH3+] ZINC000713586845 909632607 /nfs/dbraw/zinc/63/26/07/909632607.db2.gz PHIDSHZABDCBJL-MGPQQGTHSA-N 2 0 270.417 1.487 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001483166601 909897648 /nfs/dbraw/zinc/89/76/48/909897648.db2.gz MMCDJQPHFDCVAU-UONOGXRCSA-N 2 0 269.433 1.469 10 0 CDAERP CCS(=O)(=O)CC[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000715492701 910001792 /nfs/dbraw/zinc/00/17/92/910001792.db2.gz FTLUQGGCVOPUKG-UHFFFAOYSA-N 2 0 276.446 1.274 10 0 CDAERP Cc1cc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CC[NH+](C)C)sn1 ZINC001409409512 910374871 /nfs/dbraw/zinc/37/48/71/910374871.db2.gz OGNAZGCSNPUYBK-VXGBXAGGSA-N 2 0 298.456 1.386 10 0 CDAERP C[C@@H](NC(=O)C1CC[NH+](CC2CC2)CC1)[C@@H](C)[NH2+]CCF ZINC001409418413 910385600 /nfs/dbraw/zinc/38/56/00/910385600.db2.gz IWBZLOWAXORRRC-CHWSQXEVSA-N 2 0 299.434 1.561 10 0 CDAERP C[C@@H](NC(=O)Cc1cncn1C)[C@@H](C)[NH2+]CCC1CC1 ZINC001409425623 910395220 /nfs/dbraw/zinc/39/52/20/910395220.db2.gz UTLOZDPJSQVPHL-VXGBXAGGSA-N 2 0 278.400 1.246 10 0 CDAERP C[C@@H](NC(=O)CCC[NH+]1CCCCC1)[C@@H](C)[NH2+]CCF ZINC001409440441 910403545 /nfs/dbraw/zinc/40/35/45/910403545.db2.gz BJORCUIEVWDTLE-ZIAGYGMSSA-N 2 0 287.423 1.705 10 0 CDAERP CC(C)CC[N@H+](C)[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001409645835 910593509 /nfs/dbraw/zinc/59/35/09/910593509.db2.gz PIEFQZSJRCMODB-AWEZNQCLSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@H](F)C[N@H+](C)[C@@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001409685139 910626987 /nfs/dbraw/zinc/62/69/87/910626987.db2.gz LBGYGFMDTAPSSD-STQMWFEESA-N 2 0 275.412 1.511 10 0 CDAERP C[C@@H](C[N@H+](C)CC1CCCC1)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001483340428 910937397 /nfs/dbraw/zinc/93/73/97/910937397.db2.gz SHLKDAWWHAECDH-SQWLQELKSA-N 2 0 295.471 1.953 10 0 CDAERP CCCCC[N@H+](C)C[C@@H](C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001483409298 911077380 /nfs/dbraw/zinc/07/73/80/911077380.db2.gz SDEVRDKOHBWFIN-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)=CC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001483456275 911144657 /nfs/dbraw/zinc/14/46/57/911144657.db2.gz RKZQZYLYGNKDAK-AWEZNQCLSA-N 2 0 267.417 1.485 10 0 CDAERP CN(CCC[NH2+]CC1CC1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001483466800 911154912 /nfs/dbraw/zinc/15/49/12/911154912.db2.gz PZDLGNVILVQVFR-HNNXBMFYSA-N 2 0 279.428 1.176 10 0 CDAERP C[C@@H]1[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCN1C ZINC000922556126 921670772 /nfs/dbraw/zinc/67/07/72/921670772.db2.gz YNHNBJFOWPBGQB-IUODEOHRSA-N 2 0 271.368 1.450 10 0 CDAERP C[NH+](C)CCCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCF ZINC001484462399 915788858 /nfs/dbraw/zinc/78/88/58/915788858.db2.gz MHOSQOCAOGVNFC-HUUCEWRRSA-N 2 0 299.434 1.753 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC2(C1)CC[NH+](CCF)CC2 ZINC001484582310 915900119 /nfs/dbraw/zinc/90/01/19/915900119.db2.gz VGUQOZHNEOIZRO-UHFFFAOYSA-N 2 0 285.407 1.222 10 0 CDAERP Cc1ncc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)o1 ZINC001272688826 916044722 /nfs/dbraw/zinc/04/47/22/916044722.db2.gz RZYAMQYYCVBLNK-FZMZJTMJSA-N 2 0 294.399 1.062 10 0 CDAERP CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]1C ZINC001484988481 916347907 /nfs/dbraw/zinc/34/79/07/916347907.db2.gz XRGVCHVTOGXANZ-UONOGXRCSA-N 2 0 269.433 1.706 10 0 CDAERP CCOCC[NH2+][C@H](C)[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001485167345 916602557 /nfs/dbraw/zinc/60/25/57/916602557.db2.gz VQRASJKAVPFGBC-ZIAGYGMSSA-N 2 0 297.443 1.134 10 0 CDAERP C[C@@H](NC(=O)CC[NH+]1CCCCC1)[C@@H](C)[NH2+]CCF ZINC001485231212 916687629 /nfs/dbraw/zinc/68/76/29/916687629.db2.gz ZVEWNQMPEIGMQA-CHWSQXEVSA-N 2 0 273.396 1.315 10 0 CDAERP C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[N@H+](C)CCC1CC1 ZINC001485304636 916820882 /nfs/dbraw/zinc/82/08/82/916820882.db2.gz YUWLEIWVSVJBMX-CJNGLKHVSA-N 2 0 293.455 1.565 10 0 CDAERP CC(C)[C@H](C(=O)NC[C@H](C)[N@H+](C)CC1CC1)[NH+]1CCCC1 ZINC001485388665 916941953 /nfs/dbraw/zinc/94/19/53/916941953.db2.gz OOEPAQRIMFXMGN-GOEBONIOSA-N 2 0 295.471 1.953 10 0 CDAERP CCCC[C@@H](C[NH2+]CC)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001485471536 916999766 /nfs/dbraw/zinc/99/97/66/916999766.db2.gz ISPWDDLVJBQXFP-STQMWFEESA-N 2 0 255.406 1.223 10 0 CDAERP CC(=O)[C@](C)(O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000829444111 936415785 /nfs/dbraw/zinc/41/57/85/936415785.db2.gz VNTPFDACDLZXMU-CQSZACIVSA-N 2 0 268.401 1.134 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)C[C@H]([NH3+])C1CC1 ZINC000827076885 936485711 /nfs/dbraw/zinc/48/57/11/936485711.db2.gz WMDYIXZEEORLAL-YPMHNXCESA-N 2 0 253.390 1.104 10 0 CDAERP C[NH2+]CCCNC(=O)C[C@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000832373604 936577459 /nfs/dbraw/zinc/57/74/59/936577459.db2.gz ZRBJSKXPCSSKMG-NSHDSACASA-N 2 0 284.791 1.159 10 0 CDAERP Cc1ncoc1C[NH2+]CCCN(C)C(=O)C[N@@H+](C)C(C)C ZINC001276400315 936627259 /nfs/dbraw/zinc/62/72/59/936627259.db2.gz WTIACQDKKVZCCZ-UHFFFAOYSA-N 2 0 296.415 1.261 10 0 CDAERP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccns1 ZINC001485956160 920593600 /nfs/dbraw/zinc/59/36/00/920593600.db2.gz UKPJTHIJAXNWKG-VXGBXAGGSA-N 2 0 296.440 1.031 10 0 CDAERP C[NH+](C)CCCC(=O)N1C[C@@H]([NH2+]CCC2CC2)C(C)(C)C1 ZINC001486241793 920839501 /nfs/dbraw/zinc/83/95/01/920839501.db2.gz ZJNMISGQSMXNBI-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](F)CC[NH2+]C1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001486475577 921051672 /nfs/dbraw/zinc/05/16/72/921051672.db2.gz SGZPCZVJLQMCEY-PNESKVBLSA-N 2 0 273.396 1.265 10 0 CDAERP C([C@H]1CCCC12CCOCC2)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC001190436835 922013191 /nfs/dbraw/zinc/01/31/91/922013191.db2.gz MCCLKHRZLAHWMR-RBSFLKMASA-N 2 0 264.413 1.735 10 0 CDAERP COC1CC(C[NH+]2CCC([NH2+]CC3CC3)CC2)C1 ZINC000703822909 922818342 /nfs/dbraw/zinc/81/83/42/922818342.db2.gz FUQBYCRKEIGPLN-UHFFFAOYSA-N 2 0 252.402 1.875 10 0 CDAERP CN(C(=O)[C@H]1CC[C@H]([NH3+])CC1)[C@H]1C[NH+]2CCC1CC2 ZINC000711028440 923268510 /nfs/dbraw/zinc/26/85/10/923268510.db2.gz SJWYZMOSGAAIDL-IHRRRGAJSA-N 2 0 265.401 1.057 10 0 CDAERP CCCN(CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CC[NH2+]C1 ZINC000923286240 923708305 /nfs/dbraw/zinc/70/83/05/923708305.db2.gz LPDCJSJIKUYLKS-WTXIUTQJSA-N 2 0 265.445 1.981 10 0 CDAERP Cc1cccc(OCC[N@@H+](C)C[C@H]2CC3(C[NH2+]C3)CO2)c1 ZINC000923302029 923726072 /nfs/dbraw/zinc/72/60/72/923726072.db2.gz PLFDPKVQRYNXRH-MRXNPFEDSA-N 2 0 290.407 1.684 10 0 CDAERP Cc1noc(C)c1C[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923304942 923726789 /nfs/dbraw/zinc/72/67/89/923726789.db2.gz CVYKOPWPVNOIGE-LBPRGKRZSA-N 2 0 265.357 1.102 10 0 CDAERP COCCOC[C@H]1CC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923316042 923733340 /nfs/dbraw/zinc/73/33/40/923733340.db2.gz DOHDNFZKFCDXSS-YNBOMUFVSA-N 2 0 296.455 1.892 10 0 CDAERP C(CN(C1CC1)[C@@H]1CC[NH2+]C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923329753 923740468 /nfs/dbraw/zinc/74/04/68/923740468.db2.gz OFPXZQHMRYRGAE-NQKGRLOXSA-N 2 0 263.429 1.733 10 0 CDAERP CC[C@](C)([NH2+]C[C@H]1CC2(C[NH2+]C2)CO1)c1nccs1 ZINC000923327224 923745947 /nfs/dbraw/zinc/74/59/47/923745947.db2.gz QUHGHDLKSCDXTI-YPMHNXCESA-N 2 0 281.425 1.736 10 0 CDAERP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923326847 923746147 /nfs/dbraw/zinc/74/61/47/923746147.db2.gz NVZPHLLKCSPCAQ-HOTGVXAUSA-N 3 0 293.455 1.029 10 0 CDAERP [NH3+]CC(C[NH3+])NC[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC000923356958 923776911 /nfs/dbraw/zinc/77/69/11/923776911.db2.gz RJWTWOIEPYRCED-LSDHHAIUSA-N 2 0 263.385 1.172 10 0 CDAERP C(C[NH2+]C1CC1)CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000923364286 923778349 /nfs/dbraw/zinc/77/83/49/923778349.db2.gz LTCJSQDPRCHHON-HIFRSBDPSA-N 2 0 251.418 1.593 10 0 CDAERP [NH3+]C[C@@H]1c2ccccc2CCN1CCC[NH2+]C1CC1 ZINC000923384351 923794190 /nfs/dbraw/zinc/79/41/90/923794190.db2.gz FZXYPIKFEGALIG-MRXNPFEDSA-N 2 0 259.397 1.687 10 0 CDAERP CCO[C@@H]1C[N@H+](C[C@@H](O)c2ccc(C)cc2)C[C@H]1C[NH3+] ZINC000923387474 923801562 /nfs/dbraw/zinc/80/15/62/923801562.db2.gz ONQRUDBZGIMJJM-BZUAXINKSA-N 2 0 278.396 1.324 10 0 CDAERP [NH3+]C[C@H]1CCc2ccccc2N1CCC[NH2+]C1CC1 ZINC000923389192 923802892 /nfs/dbraw/zinc/80/28/92/923802892.db2.gz GHYIMMAVVZJCPT-OAHLLOKOSA-N 2 0 259.397 1.909 10 0 CDAERP CC(C)OCC[C@@H](O)C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000923415186 923821069 /nfs/dbraw/zinc/82/10/69/923821069.db2.gz OYZZHIXWLFCLJV-ZBFHGGJFSA-N 2 0 286.460 1.859 10 0 CDAERP C(C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1)O[C@H]1CCOC1 ZINC000923428654 923823965 /nfs/dbraw/zinc/82/39/65/923823965.db2.gz PXBDQKBIWRYBAN-GJZGRUSLSA-N 2 0 268.401 1.258 10 0 CDAERP CO[C@@H](C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1)C1CCC1 ZINC000923447774 923834546 /nfs/dbraw/zinc/83/45/46/923834546.db2.gz WVJKYIUBSBPSMD-GJZGRUSLSA-N 2 0 282.428 1.631 10 0 CDAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](C[C@H](O)CC(F)(F)F)CC2 ZINC000923440987 923836188 /nfs/dbraw/zinc/83/61/88/923836188.db2.gz JBBCGKVQYRWJTJ-MNOVXSKESA-N 2 0 296.333 1.130 10 0 CDAERP C[C@H](c1ccc(Cl)cc1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923460343 923838838 /nfs/dbraw/zinc/83/88/38/923838838.db2.gz MQGJXSVNWAKOQH-GFCCVEGCSA-N 2 0 267.804 1.896 10 0 CDAERP c1ccc2ncc(CN3CC[NH2+]CC[NH2+]CC3)cc2c1 ZINC000923459375 923842273 /nfs/dbraw/zinc/84/22/73/923842273.db2.gz HDGWXMSQZMFBHM-UHFFFAOYSA-N 2 0 270.380 1.230 10 0 CDAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CC[C@H]1CCCCO1)CC2 ZINC000923450754 923842681 /nfs/dbraw/zinc/84/26/81/923842681.db2.gz IFDRAPRWWBTEFO-HUUCEWRRSA-N 2 0 282.428 1.775 10 0 CDAERP CC[NH+](CC)CCCN1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923452675 923845392 /nfs/dbraw/zinc/84/53/92/923845392.db2.gz SNAOLJYSKZVJDN-OAHLLOKOSA-N 2 0 283.460 1.548 10 0 CDAERP c1ccc2c(c1)CCC[C@@H]2[N@@H+]1CCNCC[NH2+]CC1 ZINC000923461478 923848907 /nfs/dbraw/zinc/84/89/07/923848907.db2.gz OWNMQKCZUBVWBA-INIZCTEOSA-N 2 0 259.397 1.559 10 0 CDAERP CC(C)N1CCC[C@H]([N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)C1=O ZINC000923495821 923871329 /nfs/dbraw/zinc/87/13/29/923871329.db2.gz FKWXEXKPHLISPW-RDBSUJKOSA-N 2 0 267.417 1.303 10 0 CDAERP CCCCOC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923495601 923872419 /nfs/dbraw/zinc/87/24/19/923872419.db2.gz CVFVPBOPHLABSA-AVGNSLFASA-N 2 0 256.390 1.635 10 0 CDAERP Cc1csc(C[C@@H]2CC[N@H+](CCN3CC[NH2+]CC3)C2)n1 ZINC000923551354 923926058 /nfs/dbraw/zinc/92/60/58/923926058.db2.gz NIEQILJJKLIJGA-AWEZNQCLSA-N 2 0 294.468 1.221 10 0 CDAERP C[NH+]1CCC2(CCC[N@H+](C[C@@H](O)C3CC3)C2)CC1 ZINC000838982056 936899214 /nfs/dbraw/zinc/89/92/14/936899214.db2.gz XPIIPCRVRNLJRO-CQSZACIVSA-N 2 0 252.402 1.565 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC2CC2)CC1(C)C ZINC001410029727 924245926 /nfs/dbraw/zinc/24/59/26/924245926.db2.gz HWROXTMROMTTIW-CQSZACIVSA-N 2 0 281.444 1.563 10 0 CDAERP CC1CC[NH+](CC(=O)NCC(C)(C)n2ccnc2)CC1 ZINC000822421738 925621671 /nfs/dbraw/zinc/62/16/71/925621671.db2.gz RUFRETKQFRPAJI-UHFFFAOYSA-N 2 0 278.400 1.466 10 0 CDAERP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001410840165 926650901 /nfs/dbraw/zinc/65/09/01/926650901.db2.gz CTFOVYTUYBMWCU-UKRRQHHQSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)(C[NH3+])c1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000843226867 937123249 /nfs/dbraw/zinc/12/32/49/937123249.db2.gz NCUWFBWRCDLRDI-UHFFFAOYSA-N 2 0 257.297 1.621 10 0 CDAERP CC[NH2+]C[C@](C)(NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001495247453 926936067 /nfs/dbraw/zinc/93/60/67/926936067.db2.gz CHGGCEOKLOQHGB-ZBFHGGJFSA-N 2 0 279.428 1.223 10 0 CDAERP CC[N@H+](C)CCN(C(=O)[C@@]12CC[NH+](C1)CCC2)C(C)C ZINC001411194505 927212661 /nfs/dbraw/zinc/21/26/61/927212661.db2.gz JWKOLNDWBGIJKZ-INIZCTEOSA-N 2 0 281.444 1.661 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC[C@@H]2CCCO2)C1 ZINC001490580369 927239243 /nfs/dbraw/zinc/23/92/43/927239243.db2.gz YCYKPNHTXDWCPF-GJZGRUSLSA-N 2 0 297.443 1.086 10 0 CDAERP CCCC[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001490741993 927314444 /nfs/dbraw/zinc/31/44/44/927314444.db2.gz YPWQBSIGYKODGD-AWEZNQCLSA-N 2 0 267.417 1.367 10 0 CDAERP C[N@H+](CCc1ccccc1F)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000852745412 927858574 /nfs/dbraw/zinc/85/85/74/927858574.db2.gz USNXGBQPIMXPTF-AWEZNQCLSA-N 2 0 278.371 1.821 10 0 CDAERP COCCN(CCF)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000852755682 927863111 /nfs/dbraw/zinc/86/31/11/927863111.db2.gz YOXOSSYBIGKGDR-AWEZNQCLSA-N 2 0 284.375 1.655 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)C=C1CC[NH2+]CC1 ZINC000852858987 927897173 /nfs/dbraw/zinc/89/71/73/927897173.db2.gz KFOCIBZFRHAZFJ-ZDUSSCGKSA-N 2 0 265.401 1.287 10 0 CDAERP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C=C1CC[NH2+]CC1 ZINC000852860603 927897190 /nfs/dbraw/zinc/89/71/90/927897190.db2.gz SQAJQRXAHQJNDP-CQSZACIVSA-N 2 0 265.401 1.096 10 0 CDAERP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C=C1CC[NH2+]CC1 ZINC000852861540 927897852 /nfs/dbraw/zinc/89/78/52/927897852.db2.gz FNWZIKRGVAMBSW-ZNMIVQPWSA-N 2 0 293.455 1.779 10 0 CDAERP CC(C)C[NH+]1CCC(NC(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852856948 927899395 /nfs/dbraw/zinc/89/93/95/927899395.db2.gz HHTBVPLEAOJQEN-UHFFFAOYSA-N 2 0 279.428 1.533 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000852867262 927902744 /nfs/dbraw/zinc/90/27/44/927902744.db2.gz SKIWXRKQONCXMY-UHFFFAOYSA-N 2 0 283.335 1.516 10 0 CDAERP Cc1cc(C[NH+](C)C)cc(NC(=O)C2=NO[C@H](C[NH3+])C2)c1 ZINC000852886033 927907568 /nfs/dbraw/zinc/90/75/68/927907568.db2.gz FTXMVLUAJAGYPC-ZDUSSCGKSA-N 2 0 290.367 1.099 10 0 CDAERP CN(C[C@H]1CCC[N@@H+]1C)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000852920526 927917516 /nfs/dbraw/zinc/91/75/16/927917516.db2.gz CPYXPSNZTNTSJF-IAGOWNOFSA-N 2 0 294.487 1.639 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC[C@]12OCCC[C@H]1C2(F)F ZINC000854229182 928173945 /nfs/dbraw/zinc/17/39/45/928173945.db2.gz HTKFLSYVRHHYRH-KKOKHZNYSA-N 2 0 260.328 1.388 10 0 CDAERP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000854229417 928173978 /nfs/dbraw/zinc/17/39/78/928173978.db2.gz NIEZVPUIVBRQFJ-LPWJVIDDSA-N 2 0 274.355 1.778 10 0 CDAERP C[NH+](C)C1(CN[C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCOCC1 ZINC000925488838 928389875 /nfs/dbraw/zinc/38/98/75/928389875.db2.gz MJJHJTWSKOEGKV-QLFBSQMISA-N 2 0 295.471 1.463 10 0 CDAERP CC(C)[C@@H]1CN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC[NH2+]1 ZINC000856488619 928606460 /nfs/dbraw/zinc/60/64/60/928606460.db2.gz AJELYANEHJRUNZ-XJKSGUPXSA-N 2 0 299.434 1.655 10 0 CDAERP Cc1nccn1CCCC[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860166354 929125415 /nfs/dbraw/zinc/12/54/15/929125415.db2.gz ZBVZTBFUPRZYCR-CHWSQXEVSA-N 2 0 263.341 1.077 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCNc2ncccn2)[C@H]2CCC[C@H]21 ZINC000796794417 937313112 /nfs/dbraw/zinc/31/31/12/937313112.db2.gz UAMZURZRIRVDJP-QLFBSQMISA-N 2 0 289.427 1.741 10 0 CDAERP Cn1nccc1CC[NH2+][C@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000796938258 937317206 /nfs/dbraw/zinc/31/72/06/937317206.db2.gz MMKNZSGAURLKCZ-SOUVJXGZSA-N 2 0 262.401 1.425 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)C[NH2+]1 ZINC000861602644 929311578 /nfs/dbraw/zinc/31/15/78/929311578.db2.gz MQXZBTMFHLTPQH-MQYQWHSLSA-N 2 0 282.432 1.299 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC000863543232 929566589 /nfs/dbraw/zinc/56/65/89/929566589.db2.gz LVUCLQPGWSZTMP-JTQLQIEISA-N 2 0 257.765 1.622 10 0 CDAERP C[C@@H]([NH2+]CCOCCC[NH3+])c1ccc2c(c1)CCO2 ZINC000863548486 929568990 /nfs/dbraw/zinc/56/89/90/929568990.db2.gz XXOACBYSYLFDFY-GFCCVEGCSA-N 2 0 264.369 1.638 10 0 CDAERP CCC[C@H](C)C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863641884 929585395 /nfs/dbraw/zinc/58/53/95/929585395.db2.gz FRPKASXGNMQHFG-CFVMTHIKSA-N 2 0 295.427 1.680 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CC[NH+](C)[C@H](C(C)(C)C)C2)CC[N@@H+]1C ZINC000880611183 929724356 /nfs/dbraw/zinc/72/43/56/929724356.db2.gz LIGSMJWIWBCBEL-MCIONIFRSA-N 2 0 281.444 1.515 10 0 CDAERP CC[N@H+]1[C@H](C)CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000880608854 929724449 /nfs/dbraw/zinc/72/44/49/929724449.db2.gz MABFKCKXYGLPSD-BETUJISGSA-N 2 0 267.417 1.269 10 0 CDAERP CN1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1C(C)(C)C ZINC000880614194 929726032 /nfs/dbraw/zinc/72/60/32/929726032.db2.gz RXQWZBNGSSKCQL-CHWSQXEVSA-N 2 0 267.417 1.269 10 0 CDAERP C[NH+]1CCC2(CCC[N@H+](C[C@@H](O)C(F)(F)F)C2)CC1 ZINC000799176757 937381060 /nfs/dbraw/zinc/38/10/60/937381060.db2.gz BYLQUQIXUHYUSN-LLVKDONJSA-N 2 0 280.334 1.717 10 0 CDAERP Cc1cccc(C)c1C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000819171633 930768430 /nfs/dbraw/zinc/76/84/30/930768430.db2.gz KVVSWUHOHQWAQB-INIZCTEOSA-N 2 0 291.439 1.001 10 0 CDAERP CSC1(C[NH2+]C[C@H](O)C2CC2)CC[NH+](C)CC1 ZINC000819322630 930787173 /nfs/dbraw/zinc/78/71/73/930787173.db2.gz UHAKKKFFVKNCNX-LBPRGKRZSA-N 2 0 258.431 1.174 10 0 CDAERP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+]CC2CCCC2)CC[N@@H+]1C ZINC001274036434 931135770 /nfs/dbraw/zinc/13/57/70/931135770.db2.gz NTEJUCPLZWJAOT-QNQFUXMYSA-N 2 0 293.455 1.779 10 0 CDAERP C[NH+]1CCC(C(=O)NC/C=C\C[NH2+]C/C=C/Cl)CC1 ZINC001274330720 931491126 /nfs/dbraw/zinc/49/11/26/931491126.db2.gz GBESVYARADYESO-UDJLOATDSA-N 2 0 285.819 1.343 10 0 CDAERP CCCC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001274577736 931510154 /nfs/dbraw/zinc/51/01/54/931510154.db2.gz BVIKUCXCUOHBGZ-CFHLNLSMSA-N 2 0 253.390 1.000 10 0 CDAERP C[C@H](C[NH2+]C/C=C/Cl)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001274791099 931576538 /nfs/dbraw/zinc/57/65/38/931576538.db2.gz AHRPYRFQGLRAMK-IVBLRQQYSA-N 2 0 287.835 1.708 10 0 CDAERP C[C@@H](C[NH2+]CC=C(Cl)Cl)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001275445240 931799015 /nfs/dbraw/zinc/79/90/15/931799015.db2.gz ARSDTPPDEFKGQJ-UWVGGRQHSA-N 2 0 294.226 1.351 10 0 CDAERP C(N[C@@H]1CC[NH2+]C12CCC2)C1([NH+]2CCCC2)CCOCC1 ZINC000925497934 931966718 /nfs/dbraw/zinc/96/67/18/931966718.db2.gz AKJFYPSHNCLPIZ-OAHLLOKOSA-N 2 0 293.455 1.506 10 0 CDAERP [NH3+]CCc1ccc(CNC(=O)NCCC2(C[NH3+])CC2)cc1 ZINC000846168575 931983822 /nfs/dbraw/zinc/98/38/22/931983822.db2.gz AWBQGYTZABXRDO-UHFFFAOYSA-N 2 0 290.411 1.116 10 0 CDAERP CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1CC ZINC001275730635 931984314 /nfs/dbraw/zinc/98/43/14/931984314.db2.gz VTWMUGIPMGDDTC-CHWSQXEVSA-N 2 0 255.406 1.317 10 0 CDAERP C[C@@H](CNC(=O)NCCC1(C[NH3+])CC1)[NH+]1CCCCC1 ZINC000846136918 931985162 /nfs/dbraw/zinc/98/51/62/931985162.db2.gz LRIARDBQJJXBKA-ZDUSSCGKSA-N 2 0 282.432 1.289 10 0 CDAERP CC(C)C[NH2+]CC[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001326289733 932166257 /nfs/dbraw/zinc/16/62/57/932166257.db2.gz SLQXUJRISOKQQE-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)CC1CC1 ZINC001276013377 932236842 /nfs/dbraw/zinc/23/68/42/932236842.db2.gz XGQXSJFFRFQNFK-LBPRGKRZSA-N 2 0 255.406 1.173 10 0 CDAERP O=C(CC[N@H+]1CC[C@H](F)C1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC001412481269 932448482 /nfs/dbraw/zinc/44/84/82/932448482.db2.gz KVLCKIXOZIXAQE-UONOGXRCSA-N 2 0 283.391 1.117 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CC[NH+]1CC[C@H](F)C1 ZINC001412666649 932608379 /nfs/dbraw/zinc/60/83/79/932608379.db2.gz XHZFZLDUJIFADK-DYEKYZERSA-N 2 0 283.391 1.019 10 0 CDAERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCOC[C@H]2C(C)C)C1 ZINC000924705070 932816218 /nfs/dbraw/zinc/81/62/18/932816218.db2.gz KIXNDOBUIRYQQD-QLFBSQMISA-N 2 0 254.418 1.979 10 0 CDAERP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccnnc2)CC1 ZINC000924952030 932836267 /nfs/dbraw/zinc/83/62/67/932836267.db2.gz MRQWLDCCWKVPRQ-LSDHHAIUSA-N 2 0 291.443 1.401 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC(=O)OC(C)(C)C ZINC000925132789 932855340 /nfs/dbraw/zinc/85/53/40/932855340.db2.gz YLYLBCXKZCZNIV-ONXXMXGDSA-N 2 0 268.401 1.648 10 0 CDAERP CC1(C)C[C@@H]([NH2+]CCCN2CCOC2=O)C[C@@H]([NH3+])C1 ZINC000925476389 932890364 /nfs/dbraw/zinc/89/03/64/932890364.db2.gz JNPCQKSASLWEIJ-NEPJUHHUSA-N 2 0 269.389 1.324 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](O)C2CCCCC2)C12CCC2 ZINC000925476245 932890580 /nfs/dbraw/zinc/89/05/80/932890580.db2.gz IJYIFQHZPMZUQW-BFHYXJOUSA-N 2 0 252.402 1.787 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCC(=O)N2CCCCC2)C1 ZINC000925479169 932891214 /nfs/dbraw/zinc/89/12/14/932891214.db2.gz XWUOJEUSTBSPPE-UONOGXRCSA-N 2 0 281.444 1.885 10 0 CDAERP COCCOCC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925565688 932905505 /nfs/dbraw/zinc/90/55/05/932905505.db2.gz WIWAJXAMGOXLGB-HUUCEWRRSA-N 2 0 270.417 1.407 10 0 CDAERP COC(=O)N1CCC([NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC1 ZINC000925571288 932907041 /nfs/dbraw/zinc/90/70/41/932907041.db2.gz ZALXMQWBKXWYDM-RDBSUJKOSA-N 2 0 295.427 1.583 10 0 CDAERP CNC(=O)CCC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925599597 932911450 /nfs/dbraw/zinc/91/14/50/932911450.db2.gz CAQMHQIQGNZALU-ZIAGYGMSSA-N 2 0 267.417 1.271 10 0 CDAERP CC(C)NC(=O)CC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925597343 932911870 /nfs/dbraw/zinc/91/18/70/932911870.db2.gz YLKISKGJATURCJ-NWDGAFQWSA-N 2 0 255.406 1.397 10 0 CDAERP CC(C)(CN[C@@H]1C[C@@H]([NH3+])C12CCC2)C[NH+]1CCCC1 ZINC000925651024 932921009 /nfs/dbraw/zinc/92/10/09/932921009.db2.gz VAIVJGNAQZONKZ-ZIAGYGMSSA-N 2 0 265.445 1.968 10 0 CDAERP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)C(C)(C)CO ZINC000925652940 932922560 /nfs/dbraw/zinc/92/25/60/932922560.db2.gz JABFVKVUMDTYDL-CYBMUJFWSA-N 2 0 295.427 1.519 10 0 CDAERP CCC[C@H](C)C(=O)NCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925677824 932926809 /nfs/dbraw/zinc/92/68/09/932926809.db2.gz QSPAJDYQIZSHOI-AVGNSLFASA-N 2 0 267.417 1.398 10 0 CDAERP [NH3+][C@H]1C[C@@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)C12CCC2 ZINC000925702974 932929178 /nfs/dbraw/zinc/92/91/78/932929178.db2.gz BWMKGGMWGJKVSK-BHRHGYPASA-N 2 0 289.467 2.000 10 0 CDAERP CN1CCOC[C@H]1C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925718038 932931604 /nfs/dbraw/zinc/93/16/04/932931604.db2.gz MSIJLVAOEXZRNM-HZPDHXFCSA-N 2 0 277.412 1.387 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000925720156 932931618 /nfs/dbraw/zinc/93/16/18/932931618.db2.gz XECCMEBWNQXWGF-KXCXXGIZSA-N 2 0 250.386 1.659 10 0 CDAERP O=C1OCC[C@H]1CCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925730087 932933406 /nfs/dbraw/zinc/93/34/06/932933406.db2.gz MZMXQUPVTUUXHJ-OLZOCXBDSA-N 2 0 266.385 1.594 10 0 CDAERP CO[C@H]1C[C@H](C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000925736276 932935312 /nfs/dbraw/zinc/93/53/12/932935312.db2.gz LAVDDVLLIUWJTP-POQQGIQPSA-N 2 0 252.402 1.778 10 0 CDAERP CC[C@@H](NC[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1CCC[NH2+]1 ZINC000925776136 932937326 /nfs/dbraw/zinc/93/73/26/932937326.db2.gz JFOCQFRQMZTWDI-TUAOUCFPSA-N 2 0 261.360 1.351 10 0 CDAERP C[C@H](CCCCO)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925782091 932939055 /nfs/dbraw/zinc/93/90/55/932939055.db2.gz KWLQUINRZBZFPG-GHMZBOCLSA-N 2 0 250.333 1.372 10 0 CDAERP Cc1nc2c(s1)[C@H]([NH2+]CCN1CCC([NH3+])CC1)CCC2 ZINC000925809462 932940310 /nfs/dbraw/zinc/94/03/10/932940310.db2.gz ILLCPTKFGPUVHC-CYBMUJFWSA-N 2 0 294.468 1.842 10 0 CDAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC[C@H]1CNC(=O)C1 ZINC000925837216 932944522 /nfs/dbraw/zinc/94/45/22/932944522.db2.gz CSVUPIAKTUNTOP-MGPQQGTHSA-N 2 0 267.417 1.413 10 0 CDAERP C[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1cnn(C)c1 ZINC000925846894 932945440 /nfs/dbraw/zinc/94/54/40/932945440.db2.gz VDONYTNQVWWZCQ-AWEZNQCLSA-N 2 0 279.432 1.146 10 0 CDAERP C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000926337282 932981759 /nfs/dbraw/zinc/98/17/59/932981759.db2.gz NHHOZDCYCIYYMZ-ZUJMUWTESA-N 2 0 279.428 1.650 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000926824395 933026875 /nfs/dbraw/zinc/02/68/75/933026875.db2.gz JZQPHSIKDDRBRA-GUDUHZBBSA-N 2 0 264.413 1.874 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)CC[N@@H+]1C ZINC000926964512 933036297 /nfs/dbraw/zinc/03/62/97/933036297.db2.gz RURYCJGBALFPNH-IJLUTSLNSA-N 2 0 281.366 1.941 10 0 CDAERP COC/C(C)=C\C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000930575758 933406141 /nfs/dbraw/zinc/40/61/41/933406141.db2.gz DMPFPYHNBTULNQ-AGKVCYSUSA-N 2 0 252.402 1.997 10 0 CDAERP COC/C(C)=C/C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000930823478 933456483 /nfs/dbraw/zinc/45/64/83/933456483.db2.gz LSPTZCXVEUYRSC-LNKIKWGQSA-N 2 0 268.401 1.376 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)C[C@H](C)O1 ZINC000930904060 933471236 /nfs/dbraw/zinc/47/12/36/933471236.db2.gz QMAXWEVBJUSIMV-FXUDXRNXSA-N 2 0 284.444 1.579 10 0 CDAERP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3CC[C@H](C(F)(F)F)O3)C[C@@H]2C1 ZINC000931443373 933562803 /nfs/dbraw/zinc/56/28/03/933562803.db2.gz VNVBIAGGYSPLLY-YVECIDJPSA-N 2 0 292.345 1.980 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCN1CC[NH+](CCCCCO)CC1 ZINC000931498472 933575051 /nfs/dbraw/zinc/57/50/51/933575051.db2.gz IKPBBGSECVJZPR-QGZVFWFLSA-N 2 0 297.487 1.641 10 0 CDAERP COC(=O)CCCCN1CCc2[nH+]ccc(N)c2C1 ZINC000931515976 933579424 /nfs/dbraw/zinc/57/94/24/933579424.db2.gz FOZFXPHLROYZDG-UHFFFAOYSA-N 2 0 263.341 1.365 10 0 CDAERP C[C@@H]1C[N@H+](CCO[C@@H]2CCOC2)CCN1c1cc[nH+]cc1 ZINC000931682930 933606949 /nfs/dbraw/zinc/60/69/49/933606949.db2.gz ARJJRMAQIHNIRL-GDBMZVCRSA-N 2 0 291.395 1.398 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC001412816522 934377581 /nfs/dbraw/zinc/37/75/81/934377581.db2.gz MPSJVBBBQPWHEX-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP CSC1CCC(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000720537201 935182987 /nfs/dbraw/zinc/18/29/87/935182987.db2.gz UDIDRLYQBBHMOT-SHARSMKWSA-N 2 0 286.485 1.955 10 0 CDAERP C(C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)O[C@H]1CCOC1 ZINC000724947288 935779746 /nfs/dbraw/zinc/77/97/46/935779746.db2.gz CEODVOVHMJHRNT-HOTGVXAUSA-N 2 0 282.428 1.504 10 0 CDAERP CC1CC[NH+](CCCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC000900001881 935891676 /nfs/dbraw/zinc/89/16/76/935891676.db2.gz FHTNYRANPSMBQK-UHFFFAOYSA-N 2 0 279.428 1.320 10 0 CDAERP CC(C)C[C@@H](CNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH+](C)C ZINC000900684330 935941292 /nfs/dbraw/zinc/94/12/92/935941292.db2.gz MXFDZQHKEMSPDC-HOCLYGCPSA-N 2 0 281.444 1.565 10 0 CDAERP C[NH+](C)[C@@H]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1(C)C ZINC001413196241 935942346 /nfs/dbraw/zinc/94/23/46/935942346.db2.gz XNPXNLFFIVYYMC-QWHCGFSZSA-N 2 0 283.460 1.809 10 0 CDAERP COC[C@@H](O)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000802310398 936035839 /nfs/dbraw/zinc/03/58/39/936035839.db2.gz RGKQRQWAAHXSFC-BMFZPTHFSA-N 2 0 284.444 1.626 10 0 CDAERP C[C@H]([NH2+]Cc1ccc2c(c1)OCCO2)C1CC[NH2+]CC1 ZINC000400515200 940851689 /nfs/dbraw/zinc/85/16/89/940851689.db2.gz KJHDWQNBNJNSDT-LBPRGKRZSA-N 2 0 276.380 1.936 10 0 CDAERP [NH3+][C@@H]1C[C@@H](NCCC[NH+]2CCCCC2)C12CCC2 ZINC000405354790 940984584 /nfs/dbraw/zinc/98/45/84/940984584.db2.gz QICWZNNMPBZXRV-ZIAGYGMSSA-N 2 0 251.418 1.722 10 0 CDAERP CCCC[NH2+]CCN(CC)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001568743958 1169459456 /nfs/dbraw/zinc/45/94/56/1169459456.db2.gz VYOMHUNQSBMGKY-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001276983626 941773879 /nfs/dbraw/zinc/77/38/79/941773879.db2.gz OXHJITKRRBUICT-KLHDSHLOSA-N 2 0 295.471 1.857 10 0 CDAERP CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H](C)CC[NH+](C)C ZINC001362080081 970858455 /nfs/dbraw/zinc/85/84/55/970858455.db2.gz PIDUPJHHSPOIHD-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC001362081321 970860386 /nfs/dbraw/zinc/86/03/86/970860386.db2.gz TTWSQXGQTLMWNT-BZUAXINKSA-N 2 0 293.455 1.707 10 0 CDAERP O=C(CC[N@H+]1CC[C@H](F)C1)N[C@H]1CC[NH+](CC2CC2)C1 ZINC001362080161 970860804 /nfs/dbraw/zinc/86/08/04/970860804.db2.gz PSHMDCQGEUTPCT-KBPBESRZSA-N 2 0 283.391 1.021 10 0 CDAERP CCN(CC[NH2+]C[C@@H]1CCOC1)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001568772627 1169469979 /nfs/dbraw/zinc/46/99/79/1169469979.db2.gz BSPIJEZOJJYYCP-LSDHHAIUSA-N 2 0 299.459 1.047 10 0 CDAERP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001362123915 970914922 /nfs/dbraw/zinc/91/49/22/970914922.db2.gz GTKPWJOIYHTOIH-MELADBBJSA-N 2 0 285.407 1.409 10 0 CDAERP CCCCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001283712644 942976966 /nfs/dbraw/zinc/97/69/66/942976966.db2.gz CJYJNIZGJITKEA-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NCC[N@H+](C)C1CCCCC1 ZINC001362163777 970963409 /nfs/dbraw/zinc/96/34/09/970963409.db2.gz YFNDQYPVYRZHNJ-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP CC/C=C\CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001264410315 944129171 /nfs/dbraw/zinc/12/91/71/944129171.db2.gz MUFARGOSKROUNL-HDBOXQQCSA-N 2 0 293.455 1.779 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2C[C@H]([NH2+]CCCF)C2)C1 ZINC001264431861 944135515 /nfs/dbraw/zinc/13/55/15/944135515.db2.gz AZDAVGGUPUWBTL-IHRRRGAJSA-N 2 0 285.407 1.172 10 0 CDAERP C[N@@H+]1CCC[C@@H]2C[NH+](CC3CCC(O)CC3)CC[C@@H]21 ZINC000389464200 944176039 /nfs/dbraw/zinc/17/60/39/944176039.db2.gz YZLACYRJTZOUTI-KNIAUWFNSA-N 2 0 266.429 1.954 10 0 CDAERP CCCCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001265232781 944292412 /nfs/dbraw/zinc/29/24/12/944292412.db2.gz FTSDJRWAAGIILN-OAHLLOKOSA-N 2 0 281.444 1.853 10 0 CDAERP CC1CC[NH+](CC(=O)N2CC[C@H]([NH2+]CCCF)C2)CC1 ZINC001265450967 944392902 /nfs/dbraw/zinc/39/29/02/944392902.db2.gz ALPLIGJFMRXMHO-AWEZNQCLSA-N 2 0 285.407 1.268 10 0 CDAERP CC(C)=CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001265459742 944396451 /nfs/dbraw/zinc/39/64/51/944396451.db2.gz LNRSJKVRUHZZJL-AWEZNQCLSA-N 2 0 267.417 1.483 10 0 CDAERP CCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001265572212 944433177 /nfs/dbraw/zinc/43/31/77/944433177.db2.gz AUTGTJQXPOLKKI-QLFBSQMISA-N 2 0 297.443 1.134 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCCC[NH+](C)C[C@@H]1CC[C@@H](C)O1 ZINC001265978556 944611432 /nfs/dbraw/zinc/61/14/32/944611432.db2.gz QKOKTGMZSQOJCT-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](CCF)C1CC1 ZINC001266138741 944708139 /nfs/dbraw/zinc/70/81/39/944708139.db2.gz RUFJJAQCJUAEMO-OAHLLOKOSA-N 2 0 299.434 1.799 10 0 CDAERP CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001266157950 944723268 /nfs/dbraw/zinc/72/32/68/944723268.db2.gz CZKKEYGRIGKPDB-KGLIPLIRSA-N 2 0 269.433 1.611 10 0 CDAERP COCCC[NH2+]C1CC(N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001279242458 944786481 /nfs/dbraw/zinc/78/64/81/944786481.db2.gz SSMLGTITOQUMGX-NRXISQOPSA-N 2 0 299.459 1.188 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001479408424 971320980 /nfs/dbraw/zinc/32/09/80/971320980.db2.gz LEHFFALKDIYGQY-JYJNAYRXSA-N 2 0 293.455 1.779 10 0 CDAERP CCN1CC[C@@H]1C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC001362689457 971530899 /nfs/dbraw/zinc/53/08/99/971530899.db2.gz XWXPDHDBUGUMHW-IMJJTQAJSA-N 2 0 289.423 1.888 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001480086906 971569470 /nfs/dbraw/zinc/56/94/70/971569470.db2.gz AKCZMGKOBXFEGW-CABCVRRESA-N 2 0 281.444 1.519 10 0 CDAERP CC(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001480227296 971637705 /nfs/dbraw/zinc/63/77/05/971637705.db2.gz DUEACVVOCZOUIS-RWMBFGLXSA-N 2 0 278.400 1.481 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001480236788 971641688 /nfs/dbraw/zinc/64/16/88/971641688.db2.gz BGYINLWRECKFIQ-MCIONIFRSA-N 2 0 267.417 1.221 10 0 CDAERP CCCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)CCC)CC1(C)C ZINC001278685145 951689521 /nfs/dbraw/zinc/68/95/21/951689521.db2.gz SNFMOBYDDACXLE-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001480549259 971778529 /nfs/dbraw/zinc/77/85/29/971778529.db2.gz RFLCEAZKFKOXSY-CQSZACIVSA-N 2 0 281.444 1.779 10 0 CDAERP CCC[NH2+]C[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001480647432 971824677 /nfs/dbraw/zinc/82/46/77/971824677.db2.gz AMMOZXCDBSDRHO-KGLIPLIRSA-N 2 0 269.433 1.421 10 0 CDAERP C[C@@H](C[N@H+](C)CC1CC(C)C1)NC(=O)CC[NH+](C)C ZINC001569136338 1169681308 /nfs/dbraw/zinc/68/13/08/1169681308.db2.gz PRSPYABBLKSIND-MOKVOYLWSA-N 2 0 269.433 1.421 10 0 CDAERP CCCCC[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001493240240 971993881 /nfs/dbraw/zinc/99/38/81/971993881.db2.gz PWWVDDPCJIUXMV-JKSUJKDBSA-N 2 0 295.471 1.957 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@H]1CCCC[C@H]1C[NH2+]CCF ZINC001569175049 1169704201 /nfs/dbraw/zinc/70/42/01/1169704201.db2.gz ORMXPSKADGOVFV-KBPBESRZSA-N 2 0 285.407 1.316 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CC)C1 ZINC001326288247 954301977 /nfs/dbraw/zinc/30/19/77/954301977.db2.gz NMHJTCSRQWXUMM-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@H]3CCCC[C@@H]3O)CC2)C1 ZINC001364358246 954496859 /nfs/dbraw/zinc/49/68/59/954496859.db2.gz HFFSSDLKAHCNQF-IKGGRYGDSA-N 2 0 295.471 1.249 10 0 CDAERP C[C@@H](O)CC[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001364521476 954712526 /nfs/dbraw/zinc/71/25/26/954712526.db2.gz MJLPHEJYFMOAMI-CQSZACIVSA-N 2 0 270.417 1.070 10 0 CDAERP C[NH+](C)C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCCC2)C1 ZINC001296253475 954833284 /nfs/dbraw/zinc/83/32/84/954833284.db2.gz HGFYTZJUBHTCKJ-ZDUSSCGKSA-N 2 0 267.417 1.271 10 0 CDAERP CC/C=C\CC[NH2+][C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001491570254 955310155 /nfs/dbraw/zinc/31/01/55/955310155.db2.gz ZYXQWOPRMAMJJD-GXMNPTEKSA-N 2 0 281.444 1.779 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1 ZINC001421492980 955373529 /nfs/dbraw/zinc/37/35/29/955373529.db2.gz QTTDFGHDELYGHQ-JKSUJKDBSA-N 2 0 289.423 1.623 10 0 CDAERP C[NH+](C)CCC(=O)N1CCCC[C@H]1C[NH2+]CC1CC1 ZINC001328643814 955391864 /nfs/dbraw/zinc/39/18/64/955391864.db2.gz JRFMIPMKLJGSAD-AWEZNQCLSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@H](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CCCF ZINC001492024467 955613935 /nfs/dbraw/zinc/61/39/35/955613935.db2.gz RBTIYFQKKUDDIO-TZMCWYRMSA-N 2 0 285.407 1.172 10 0 CDAERP CC[C@H](C(=O)N(C)CC[NH2+]CC1CC(C)C1)[NH+](C)C ZINC001493762461 972112555 /nfs/dbraw/zinc/11/25/55/972112555.db2.gz CZPSJHSSWXRNHE-JXQTWKCFSA-N 2 0 269.433 1.421 10 0 CDAERP CC(C)CC[NH2+][C@H](C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001492085223 955646740 /nfs/dbraw/zinc/64/67/40/955646740.db2.gz NGPHYFOKDLRZRE-HUUCEWRRSA-N 2 0 283.460 1.859 10 0 CDAERP CC[NH2+]C1(CC)CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001421927206 955658314 /nfs/dbraw/zinc/65/83/14/955658314.db2.gz KNAXCBPWJOLYBK-UHFFFAOYSA-N 2 0 293.455 1.996 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001492304850 955787301 /nfs/dbraw/zinc/78/73/01/955787301.db2.gz XMWCXNCBAJGEIG-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP C[N@H+](CC(=O)NC1CC(C[NH2+]CC2CC2)C1)CC(C)(C)C ZINC001422277822 955909117 /nfs/dbraw/zinc/90/91/17/955909117.db2.gz MPTVEXNTIIYLMG-UHFFFAOYSA-N 2 0 295.471 1.859 10 0 CDAERP CCCCCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001329615338 956020793 /nfs/dbraw/zinc/02/07/93/956020793.db2.gz ZKLAQMFLDDQDQD-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[C@H](CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC1CC1 ZINC001422665420 956242368 /nfs/dbraw/zinc/24/23/68/956242368.db2.gz IBJKUBKTFRIITR-HOTGVXAUSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H](C)C1C[NH+](C(C)C)C1)[NH+]1CCCC1 ZINC001422760198 956312571 /nfs/dbraw/zinc/31/25/71/956312571.db2.gz HVBPLGXUJIWFSV-ZBFHGGJFSA-N 2 0 295.471 1.952 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001365807777 956379910 /nfs/dbraw/zinc/37/99/10/956379910.db2.gz JQWWUNVOKHVLPO-NIFZNCRKSA-N 2 0 299.434 1.559 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H]1[C@@H]2CCC[NH+](CC)[C@@H]2C1(C)C ZINC001365877621 956416032 /nfs/dbraw/zinc/41/60/32/956416032.db2.gz SEJHTCKSASWTDW-IMJJTQAJSA-N 2 0 295.471 1.953 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2CCC(=O)O2)[C@H](C)C1 ZINC001330548023 956473140 /nfs/dbraw/zinc/47/31/40/956473140.db2.gz VABLXSKHGRYALB-UPJWGTAASA-N 2 0 254.374 1.354 10 0 CDAERP CC(C)[C@@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]CC1CC1 ZINC001422965622 956477714 /nfs/dbraw/zinc/47/77/14/956477714.db2.gz HQLDXNWJVUWKMD-OAHLLOKOSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@@H](F)C[NH2+][C@@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001423102339 956588680 /nfs/dbraw/zinc/58/86/80/956588680.db2.gz HHTFWPQWKQMFEB-GXTWGEPZSA-N 2 0 287.423 1.513 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@@H]([NH2+]CC2CC2)C1 ZINC001366151609 956604942 /nfs/dbraw/zinc/60/49/42/956604942.db2.gz UKLPFWNUFDQMHP-ZNMIVQPWSA-N 2 0 279.428 1.508 10 0 CDAERP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]1CC[C@@H](C)F ZINC001423181054 956650100 /nfs/dbraw/zinc/65/01/00/956650100.db2.gz MHJCDVMJWHHASI-OLZOCXBDSA-N 2 0 273.396 1.265 10 0 CDAERP Cc1ncsc1C[NH2+]C1(CNC(=O)CC[NH+](C)C)CC1 ZINC001423273708 956699303 /nfs/dbraw/zinc/69/93/03/956699303.db2.gz KIGSOUTURADQPU-UHFFFAOYSA-N 2 0 296.440 1.142 10 0 CDAERP CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001423317595 956720594 /nfs/dbraw/zinc/72/05/94/956720594.db2.gz CHVCYWYPRDEPES-HUUCEWRRSA-N 2 0 281.444 1.661 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C(C)(C)C ZINC001423617353 956905287 /nfs/dbraw/zinc/90/52/87/956905287.db2.gz GDBRNUMDLDDTHQ-ZIAGYGMSSA-N 2 0 299.459 1.095 10 0 CDAERP CC(C)[C@H](C(=O)NCC[N@H+](C)CC1CC1)[NH+]1CCCC1 ZINC001366598527 957012630 /nfs/dbraw/zinc/01/26/30/957012630.db2.gz WESXKEPJVQZCNI-OAHLLOKOSA-N 2 0 281.444 1.565 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[NH+](CC1CC1)C2 ZINC001423925146 957041825 /nfs/dbraw/zinc/04/18/25/957041825.db2.gz GYCGHIKEGVAWCS-JYJNAYRXSA-N 2 0 293.455 1.707 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C(C)C ZINC001366638349 957070455 /nfs/dbraw/zinc/07/04/55/957070455.db2.gz NVHJIAINTMGPKW-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NCCCC[NH+]1CCOCC1 ZINC001331565797 957143118 /nfs/dbraw/zinc/14/31/18/957143118.db2.gz OMGOEYRXCJGRIC-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001366748450 957161315 /nfs/dbraw/zinc/16/13/15/957161315.db2.gz RILLMZSWOUDCSR-UHFFFAOYSA-N 2 0 281.444 1.850 10 0 CDAERP CC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001316994428 957191966 /nfs/dbraw/zinc/19/19/66/957191966.db2.gz IHTTYVBAYJQVJM-KBPBESRZSA-N 2 0 267.417 1.317 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001424480082 957249145 /nfs/dbraw/zinc/24/91/45/957249145.db2.gz SCAQETKHTOQYEP-KGLIPLIRSA-N 2 0 299.434 1.799 10 0 CDAERP Cc1cc(C[NH2+][C@@H](C)CCNC(=O)CC[NH+](C)C)sn1 ZINC001424596625 957282140 /nfs/dbraw/zinc/28/21/40/957282140.db2.gz IILRAGPJSODFEH-NSHDSACASA-N 2 0 298.456 1.388 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1conc1C ZINC001424854327 957383815 /nfs/dbraw/zinc/38/38/15/957383815.db2.gz VPNJOWUYJUUWEB-NWDGAFQWSA-N 2 0 296.415 1.308 10 0 CDAERP CCOCC[NH2+][C@@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001317271028 957394661 /nfs/dbraw/zinc/39/46/61/957394661.db2.gz KHLOAEMHJGFDGG-GJZGRUSLSA-N 2 0 299.459 1.382 10 0 CDAERP CC(C)=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001332028463 957406502 /nfs/dbraw/zinc/40/65/02/957406502.db2.gz OESVWWBYDVAWDC-UONOGXRCSA-N 2 0 267.417 1.483 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001317301610 957412052 /nfs/dbraw/zinc/41/20/52/957412052.db2.gz WFBSIIYUGWTHBK-KBPBESRZSA-N 2 0 267.417 1.461 10 0 CDAERP CC(C)=CC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001317305849 957414942 /nfs/dbraw/zinc/41/49/42/957414942.db2.gz OIHXZYBAASUXGN-CABCVRRESA-N 2 0 279.428 1.485 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H](C[NH2+]CCC3CC3)C2)C1 ZINC001317341693 957430755 /nfs/dbraw/zinc/43/07/55/957430755.db2.gz BPDVKFHSLYTJAG-JKSUJKDBSA-N 2 0 293.455 1.566 10 0 CDAERP CC(C)OCC[N@H+](C)[C@@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001425056252 957458779 /nfs/dbraw/zinc/45/87/79/957458779.db2.gz LOPFVCYDVHDBLM-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)C1C[NH+](CC2CCCC2)C1 ZINC001425266036 957502489 /nfs/dbraw/zinc/50/24/89/957502489.db2.gz RETFUCHVZJLKAS-CQSZACIVSA-N 2 0 295.471 1.953 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCCCCF)C1 ZINC001317514633 957524365 /nfs/dbraw/zinc/52/43/65/957524365.db2.gz CMEYQFSCUOSMOF-GJZGRUSLSA-N 2 0 299.434 1.659 10 0 CDAERP CC1CC(C[NH2+]CCN(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001317616206 957598738 /nfs/dbraw/zinc/59/87/38/957598738.db2.gz AIIURIVBSUKDJB-UHFFFAOYSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)=CC[NH2+]CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001317656181 957625785 /nfs/dbraw/zinc/62/57/85/957625785.db2.gz WEZURBKJCVOOOL-AWEZNQCLSA-N 2 0 267.417 1.342 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCF)C(C)(C)C ZINC001332769971 957828083 /nfs/dbraw/zinc/82/80/83/957828083.db2.gz BFOXHQCZXQTASI-NEPJUHHUSA-N 2 0 273.396 1.171 10 0 CDAERP CCC[NH2+]C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001332882172 957913549 /nfs/dbraw/zinc/91/35/49/957913549.db2.gz RCZVFDUDZCSNML-KBPBESRZSA-N 2 0 283.460 1.859 10 0 CDAERP CC[N@H+](C)CCC(=O)NCC[NH+](C)C[C@@H]1CC(C)(C)CO1 ZINC001492484131 958204150 /nfs/dbraw/zinc/20/41/50/958204150.db2.gz NFTHPPVMBRUKAA-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccc(Cl)cc1)NC(=O)CC[NH+](C)C ZINC001367754514 958302933 /nfs/dbraw/zinc/30/29/33/958302933.db2.gz XFUFMDVNIPZCHW-LBPRGKRZSA-N 2 0 297.830 1.886 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]C/C=C/Cl)C1 ZINC001319129599 958388773 /nfs/dbraw/zinc/38/87/73/958388773.db2.gz GGWCZJAQGQUSRV-SLEPRMHMSA-N 2 0 285.819 1.271 10 0 CDAERP CCCC[NH2+]C[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001319204516 958432112 /nfs/dbraw/zinc/43/21/12/958432112.db2.gz GEZWFSIHUPVXTO-AWEZNQCLSA-N 2 0 281.444 1.757 10 0 CDAERP CC(C)[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001569302667 1169753850 /nfs/dbraw/zinc/75/38/50/1169753850.db2.gz AESLRHZTRLCNJM-BNOWGMLFSA-N 2 0 267.417 1.219 10 0 CDAERP CC[N@H+](C)[C@@H]1CCN(C(=O)NC[C@H]2CCCC[NH+](C)C2)C1 ZINC001428352830 958541323 /nfs/dbraw/zinc/54/13/23/958541323.db2.gz HQYIGUDHTVWMAO-HUUCEWRRSA-N 2 0 296.459 1.454 10 0 CDAERP CC(C)C[N@@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001368059410 958607934 /nfs/dbraw/zinc/60/79/34/958607934.db2.gz BSYRAOBICZYBTB-INIZCTEOSA-N 2 0 281.444 1.519 10 0 CDAERP CCCCC[NH2+]C[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001319561603 958631886 /nfs/dbraw/zinc/63/18/86/958631886.db2.gz XYMFIKUHFQPFMZ-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccn1 ZINC001368111699 958645210 /nfs/dbraw/zinc/64/52/10/958645210.db2.gz WTBYADCIGUREPU-OAHLLOKOSA-N 2 0 290.411 1.114 10 0 CDAERP CC[C@H](C(=O)N[C@H](C[NH2+]C(C)C)C1CCCC1)[NH+](C)C ZINC001368138577 958658093 /nfs/dbraw/zinc/65/80/93/958658093.db2.gz LAAMOESNAJARCM-HUUCEWRRSA-N 2 0 283.460 2.000 10 0 CDAERP CC[C@@H](F)C[NH2+][C@@H](CC)CNC(=O)C1CC[NH+](C)CC1 ZINC001495050872 972389549 /nfs/dbraw/zinc/38/95/49/972389549.db2.gz RVZZEQWPPYAUPA-KGLIPLIRSA-N 2 0 287.423 1.561 10 0 CDAERP Cc1n[nH]c(=O)c(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)c1C ZINC001334390197 959078235 /nfs/dbraw/zinc/07/82/35/959078235.db2.gz MARYYWLFEZGNFA-NEPJUHHUSA-N 2 0 262.357 1.159 10 0 CDAERP Cc1noc(C)c1C[NH2+][C@@H](C)CCNC(=O)CC[NH+](C)C ZINC001368734241 959090205 /nfs/dbraw/zinc/09/02/05/959090205.db2.gz CRBVVOVBAJINCK-NSHDSACASA-N 2 0 296.415 1.228 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](C(C)C)CC1(C)C)[NH+](C)C ZINC001369123474 959471874 /nfs/dbraw/zinc/47/18/74/959471874.db2.gz IBXQEECURNLLDW-KGLIPLIRSA-N 2 0 283.460 1.808 10 0 CDAERP CC(C)C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001369176793 959504556 /nfs/dbraw/zinc/50/45/56/959504556.db2.gz REGXSCFRGQISJD-KKUMJFAQSA-N 2 0 281.444 1.469 10 0 CDAERP CC(C)[NH2+]C/C=C\CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001321110446 959596537 /nfs/dbraw/zinc/59/65/37/959596537.db2.gz ZJUHAELVRKZRRE-WSROAFLRSA-N 2 0 255.406 1.243 10 0 CDAERP CC(C)[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001321120438 959603836 /nfs/dbraw/zinc/60/38/36/959603836.db2.gz IZOHSBBRJGEHEK-CFHLNLSMSA-N 2 0 253.390 1.141 10 0 CDAERP C[C@H](C(=O)NC/C=C\C[NH2+]CC1CC1)[NH+]1CCCCCC1 ZINC001321282153 959697674 /nfs/dbraw/zinc/69/76/74/959697674.db2.gz VHFQAIIFQNPTIZ-FOSCPCJNSA-N 2 0 293.455 1.923 10 0 CDAERP CC(C)[NH2+]C[C@@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)C ZINC001369557583 959757995 /nfs/dbraw/zinc/75/79/95/959757995.db2.gz XJIWZKPGLNYRQG-CYBMUJFWSA-N 2 0 271.449 1.856 10 0 CDAERP CCC[NH2+]C[C@@](C)(NC(=O)C[N@H+](C)C1CCC1)C1CC1 ZINC001495258659 972459999 /nfs/dbraw/zinc/45/99/99/972459999.db2.gz LXXBAIHOLMWJER-MRXNPFEDSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H](C[NH2+]CC[C@H](C)F)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001321617539 959875409 /nfs/dbraw/zinc/87/54/09/959875409.db2.gz NLKAHCNBIJJYPG-XQQFMLRXSA-N 2 0 273.396 1.313 10 0 CDAERP CCOCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001321663948 959896868 /nfs/dbraw/zinc/89/68/68/959896868.db2.gz YAHPWHUMTZHXOZ-CABCVRRESA-N 2 0 299.459 1.380 10 0 CDAERP CC(C)C[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001370220353 960026806 /nfs/dbraw/zinc/02/68/06/960026806.db2.gz SPGDRLDJEFXACE-CWRNSKLLSA-N 2 0 295.471 1.857 10 0 CDAERP CC(C)C[NH2+][C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001370257294 960032598 /nfs/dbraw/zinc/03/25/98/960032598.db2.gz QIIWNXBCSZHOEA-HIFRSBDPSA-N 2 0 281.444 1.469 10 0 CDAERP CC[NH2+]CC[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001495382353 972484784 /nfs/dbraw/zinc/48/47/84/972484784.db2.gz YFUKFYLPFFBXQZ-CQSZACIVSA-N 2 0 281.444 1.566 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001370829580 960209630 /nfs/dbraw/zinc/20/96/30/960209630.db2.gz HJEYAJLMNAORDV-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP CC/C=C/CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001323047100 960419975 /nfs/dbraw/zinc/41/99/75/960419975.db2.gz MQERORMSUVJQMZ-FZZYSBJUSA-N 2 0 293.455 1.921 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001323338469 960657753 /nfs/dbraw/zinc/65/77/53/960657753.db2.gz ZXILEOVHXOSUDD-CQSZACIVSA-N 2 0 279.428 1.463 10 0 CDAERP CC[C@H](C)C[N@@H+]1CCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001418626433 960816842 /nfs/dbraw/zinc/81/68/42/960816842.db2.gz FNXAYZRSHYYCBH-GJZGRUSLSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001418626440 960820289 /nfs/dbraw/zinc/82/02/89/960820289.db2.gz FNXAYZRSHYYCBH-HUUCEWRRSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](F)C[NH2+][C@@H]1C[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001418700526 960921259 /nfs/dbraw/zinc/92/12/59/960921259.db2.gz HKVSQHMQVAPTHR-SYQHCUMBSA-N 2 0 287.423 1.559 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]CCCF)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001324083077 961157715 /nfs/dbraw/zinc/15/77/15/961157715.db2.gz VGVWWVJIAXDPMO-KBPBESRZSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N[C@H]2C[N@H+](C)CC2(C)C)CC1 ZINC001434379423 961240601 /nfs/dbraw/zinc/24/06/01/961240601.db2.gz BUUWFSORBQQJMU-AWEZNQCLSA-N 2 0 281.444 1.563 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H](CC)CNC(=O)C1([NH+](C)C)CCC1 ZINC001419192892 961493344 /nfs/dbraw/zinc/49/33/44/961493344.db2.gz RGYUCTZMACIXHS-CHWSQXEVSA-N 2 0 287.423 1.703 10 0 CDAERP CC(C)(C)CC[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001419421209 961685013 /nfs/dbraw/zinc/68/50/13/961685013.db2.gz CDSGOUDIPVLVRX-HDJSIYSDSA-N 2 0 281.444 1.755 10 0 CDAERP COC[C@@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001419625936 961880233 /nfs/dbraw/zinc/88/02/33/961880233.db2.gz QRZUPWBRKZSNFX-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP Cc1ncc(C[NH2+]C[C@H](C)N(C)C(=O)C[NH+]2CCCC2)o1 ZINC001419747770 962064872 /nfs/dbraw/zinc/06/48/72/962064872.db2.gz OSRQXIMBKWKFPG-LBPRGKRZSA-N 2 0 294.399 1.015 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC1CC1)[NH+]1CCCC1 ZINC001419774671 962099163 /nfs/dbraw/zinc/09/91/63/962099163.db2.gz YJYOIAQAHVAHQT-ZBFHGGJFSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CC1CCOCC1 ZINC001419895237 962210454 /nfs/dbraw/zinc/21/04/54/962210454.db2.gz AKMWJBPVFCAPGK-OAHLLOKOSA-N 2 0 299.459 1.095 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001419987476 962333382 /nfs/dbraw/zinc/33/33/82/962333382.db2.gz GCCOHOULQMRQPF-LSDHHAIUSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](CCNC(=O)CC[NH+](C)C)[NH2+]CC1CC(C)(C)C1 ZINC001420124051 962486815 /nfs/dbraw/zinc/48/68/15/962486815.db2.gz GQTPBDXPDUHJII-ZDUSSCGKSA-N 2 0 283.460 1.859 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(C)no2)C1)[NH+](C)C ZINC001436959001 962526604 /nfs/dbraw/zinc/52/66/04/962526604.db2.gz HVUVEBNEQYFINH-MBNYWOFBSA-N 2 0 294.399 1.060 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCc1ccccc1 ZINC001437264871 962780233 /nfs/dbraw/zinc/78/02/33/962780233.db2.gz XJBVTIBDWFYODZ-GOEBONIOSA-N 2 0 289.423 1.275 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC1CC1)C1CC1 ZINC001420747017 963220041 /nfs/dbraw/zinc/22/00/41/963220041.db2.gz VUWMSVLPNKMVFM-JKSUJKDBSA-N 2 0 293.455 1.754 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NCC[C@@H]2CC[NH+](CCCF)C2)C1 ZINC001437938540 963251841 /nfs/dbraw/zinc/25/18/41/963251841.db2.gz JHCMHIUJPXKPGW-LSDHHAIUSA-N 2 0 299.434 1.516 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001437952066 963254389 /nfs/dbraw/zinc/25/43/89/963254389.db2.gz ZKBLOILXMDTZML-CVEARBPZSA-N 2 0 295.471 1.812 10 0 CDAERP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC[C@@H]1CCCO1 ZINC001438362174 963431949 /nfs/dbraw/zinc/43/19/49/963431949.db2.gz DQDFYTHIHKFEDG-CABCVRRESA-N 2 0 297.443 1.136 10 0 CDAERP CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]C[C@@H](F)CC ZINC001438372475 963433699 /nfs/dbraw/zinc/43/36/99/963433699.db2.gz GQGGSCFSVMLLDX-QWHCGFSZSA-N 2 0 285.407 1.315 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001438588392 963492036 /nfs/dbraw/zinc/49/20/36/963492036.db2.gz OPZYEYLQKWSCFE-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001438686374 963524701 /nfs/dbraw/zinc/52/47/01/963524701.db2.gz UKCBOOHUVKPPLB-CHWSQXEVSA-N 2 0 287.423 1.513 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CCCCC1 ZINC001438758547 963541232 /nfs/dbraw/zinc/54/12/32/963541232.db2.gz YLSUPGSPSFLEKH-OAHLLOKOSA-N 2 0 293.455 1.757 10 0 CDAERP CC(C)[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]C[C@H]1CCOC1 ZINC001438848616 963574350 /nfs/dbraw/zinc/57/43/50/963574350.db2.gz KIWQRNRYXKHTIZ-HUUCEWRRSA-N 2 0 299.459 1.094 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1CC ZINC001440462446 964064193 /nfs/dbraw/zinc/06/41/93/964064193.db2.gz LKVBFKZPDABAGM-UONOGXRCSA-N 2 0 281.444 1.850 10 0 CDAERP CC(C)[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001440803976 964188267 /nfs/dbraw/zinc/18/82/67/964188267.db2.gz UGZQJFBFHTXTTF-KGLIPLIRSA-N 2 0 299.459 1.236 10 0 CDAERP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH+](C)CCC1CC1 ZINC001441009330 964324982 /nfs/dbraw/zinc/32/49/82/964324982.db2.gz XDCXNPAUUPMWOC-DZGCQCFKSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCC2CC2)CC1(C)C ZINC001441276295 964445180 /nfs/dbraw/zinc/44/51/80/964445180.db2.gz QDEGJMNSHUNOQD-OAHLLOKOSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001441287167 964452115 /nfs/dbraw/zinc/45/21/15/964452115.db2.gz SGIDRFNHXDQDCF-ZQDZILKHSA-N 2 0 279.428 1.031 10 0 CDAERP CC(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001441296752 964454004 /nfs/dbraw/zinc/45/40/04/964454004.db2.gz QPJSKVBPPZCMDT-HOTGVXAUSA-N 2 0 295.471 1.765 10 0 CDAERP CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001441342773 964467703 /nfs/dbraw/zinc/46/77/03/964467703.db2.gz SXILDKNVGTYWHW-ZNMIVQPWSA-N 2 0 293.455 1.707 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001441347387 964469585 /nfs/dbraw/zinc/46/95/85/964469585.db2.gz LELVNINNUFCBFB-FRRDWIJNSA-N 2 0 271.380 1.019 10 0 CDAERP CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]C/C=C/Cl)C1)[NH+]1CCCC1 ZINC001441399209 964496928 /nfs/dbraw/zinc/49/69/28/964496928.db2.gz LMBKMRBIOTVWGH-AXUPUTEVSA-N 2 0 299.846 1.850 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC2)C1)[NH+]1CCCC1 ZINC001441547649 964583462 /nfs/dbraw/zinc/58/34/62/964583462.db2.gz JZURRQIFSAOCBH-OWCLPIDISA-N 2 0 293.455 1.754 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]C/C=C\Cl)CC1 ZINC001441728383 964667693 /nfs/dbraw/zinc/66/76/93/964667693.db2.gz CQUAKRWJONLAOO-JFSCRGFISA-N 2 0 299.846 1.850 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]C/C=C/Cl)C[C@H]1C ZINC001441835789 964740030 /nfs/dbraw/zinc/74/00/30/964740030.db2.gz NJYNOZQOLIHHML-FBVTZJDUSA-N 2 0 287.835 1.658 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C[NH+](C)C ZINC001556805306 965105356 /nfs/dbraw/zinc/10/53/56/965105356.db2.gz HSDGBKBGWXEAAM-MCIONIFRSA-N 2 0 269.433 1.421 10 0 CDAERP CCC[N@H+](CCF)CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001442951848 965291314 /nfs/dbraw/zinc/29/13/14/965291314.db2.gz GKODXALBYAWJFK-GJZGRUSLSA-N 2 0 299.434 1.801 10 0 CDAERP CC[C@H](C)C[N@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001443329932 965443041 /nfs/dbraw/zinc/44/30/41/965443041.db2.gz CZKSATVFCJPWMX-JKSUJKDBSA-N 2 0 295.471 1.909 10 0 CDAERP CC[NH2+][C@H]1CC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001444166057 965749865 /nfs/dbraw/zinc/74/98/65/965749865.db2.gz KSXOAPHYPRVETC-RBSFLKMASA-N 2 0 281.444 1.898 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001444626858 965906780 /nfs/dbraw/zinc/90/67/80/965906780.db2.gz KFPXVAJMDMFXBQ-KBPBESRZSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[C@H](CNC(=O)CC[NH+](C)C)[NH2+]C[C@H]1CCCOC1 ZINC001444904403 965996892 /nfs/dbraw/zinc/99/68/92/965996892.db2.gz OUNRFUYSQHDUGI-CABCVRRESA-N 2 0 299.459 1.095 10 0 CDAERP OCCC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCC[NH2+]C1 ZINC001348563975 966062402 /nfs/dbraw/zinc/06/24/02/966062402.db2.gz VDUMQTXLJQCDKE-WIGRTHMWSA-N 2 0 252.402 1.611 10 0 CDAERP C[NH2+]Cc1cccc(NC(=O)[C@H]2CCCC[C@H]2[NH3+])c1 ZINC001349361558 966326535 /nfs/dbraw/zinc/32/65/35/966326535.db2.gz BVNYTKKUAPRTHG-UONOGXRCSA-N 2 0 261.369 1.862 10 0 CDAERP CCC[NH2+]C1(CC)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001447422545 966785210 /nfs/dbraw/zinc/78/52/10/966785210.db2.gz CRRBUHAEEHNVSY-UHFFFAOYSA-N 2 0 293.455 1.853 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cnoc1C ZINC001447908335 966925313 /nfs/dbraw/zinc/92/53/13/966925313.db2.gz AKGXFYAXMXGAGP-NEPJUHHUSA-N 2 0 296.415 1.308 10 0 CDAERP Cn1c(C[NH2+]CCC2CC[NH+](C)CC2)cnc1Cl ZINC000848534253 969157613 /nfs/dbraw/zinc/15/76/13/969157613.db2.gz QBHNHDKOPMSJQX-UHFFFAOYSA-N 2 0 270.808 1.895 10 0 CDAERP Cn1ncc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1Cl ZINC000848561765 969174753 /nfs/dbraw/zinc/17/47/53/969174753.db2.gz BRPOWUVRIBBEGW-JGZJWPJOSA-N 2 0 256.781 1.503 10 0 CDAERP CC(C)[C@@H](CNC(=[NH2+])N1CCO[C@H](C)C1)[NH+]1CCCC1 ZINC000848984202 969380003 /nfs/dbraw/zinc/38/00/03/969380003.db2.gz YJJXQMGHRKCXQO-ZIAGYGMSSA-N 2 0 282.432 1.352 10 0 CDAERP C[NH+](C)Cc1cc(CNC(=[NH2+])N2CCC2)ccc1F ZINC000849008011 969399904 /nfs/dbraw/zinc/39/99/04/969399904.db2.gz LMKCJPGBSKXHPI-UHFFFAOYSA-N 2 0 264.348 1.617 10 0 CDAERP C[C@H](CN1CCOCC1)C[N@@H+]1CC[C@H](N2CCCCC2)C1 ZINC001459604912 969439068 /nfs/dbraw/zinc/43/90/68/969439068.db2.gz WLHHEUSXAOCTDO-SJORKVTESA-N 2 0 295.471 1.515 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001464801467 969818077 /nfs/dbraw/zinc/81/80/77/969818077.db2.gz CGGSAZHROGYCFW-ILXRZTDVSA-N 2 0 281.444 1.659 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)CC[NH+]1CC[C@H](F)C1 ZINC001465021055 969839576 /nfs/dbraw/zinc/83/95/76/969839576.db2.gz JCUKUIBETADQIO-LSDHHAIUSA-N 2 0 299.434 1.801 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCCCNC1=[NH+]CCCCN1 ZINC000849215632 969915171 /nfs/dbraw/zinc/91/51/71/969915171.db2.gz VKCJJVGGDVEWAG-AWEZNQCLSA-N 2 0 266.433 1.970 10 0 CDAERP c1cn(-c2ccccc2CNC2=[NH+]CCCCN2)cn1 ZINC000849215463 969915261 /nfs/dbraw/zinc/91/52/61/969915261.db2.gz LADPXPINWNGSKG-UHFFFAOYSA-N 2 0 269.352 1.701 10 0 CDAERP C(NC1=[NH+]CCCCN1)[C@H]1CCCC[N@@H+]1C1CC1 ZINC000849217050 969917351 /nfs/dbraw/zinc/91/73/51/969917351.db2.gz WNUVZJVUXVGBIG-CYBMUJFWSA-N 2 0 250.390 1.332 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)C1 ZINC001469705020 970266732 /nfs/dbraw/zinc/26/67/32/970266732.db2.gz OMWVEGUBENMYJS-FZKCQIBNSA-N 2 0 293.455 1.517 10 0 CDAERP C[C@H](CNC(=O)CC[N@@H+]1CC[C@H](F)C1)[NH+]1CCC(C)CC1 ZINC001361692762 970429308 /nfs/dbraw/zinc/42/93/08/970429308.db2.gz PCNYFVUBFADAIK-CABCVRRESA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)C[C@@H](CNC(=O)[C@@H](C)CC[NH+](C)C)[NH+](C)C ZINC001361930263 970686662 /nfs/dbraw/zinc/68/66/62/970686662.db2.gz NIMYDLLULAURTA-KBPBESRZSA-N 2 0 271.449 1.667 10 0 CDAERP CCC[NH2+]C[C@@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001495683414 972592358 /nfs/dbraw/zinc/59/23/58/972592358.db2.gz PYZRJRMSNIZUAG-ZIAGYGMSSA-N 2 0 269.433 1.613 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC[C@@H](C)[NH2+]CC2CC2)CC[N@@H+]1C ZINC001371770169 972632657 /nfs/dbraw/zinc/63/26/57/972632657.db2.gz VTCSCVLNJILOGQ-VHDGCEQUSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]CCC(F)(F)F ZINC001496252180 972858945 /nfs/dbraw/zinc/85/89/45/972858945.db2.gz WKQVOEXDCWPKSV-LLVKDONJSA-N 2 0 297.365 1.716 10 0 CDAERP O=C(CCC[NH+]1CCCC1)N[C@@H]1CCC[C@@H]1C[NH2+]CCF ZINC001496920786 973145342 /nfs/dbraw/zinc/14/53/42/973145342.db2.gz ZBTFERWISOWDEZ-HUUCEWRRSA-N 2 0 299.434 1.706 10 0 CDAERP C[C@@H](CC[NH2+]Cc1nccs1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001497324319 973287871 /nfs/dbraw/zinc/28/78/71/973287871.db2.gz UMGFZQAITZINPJ-RYUDHWBXSA-N 2 0 296.440 1.079 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001417797028 973391080 /nfs/dbraw/zinc/39/10/80/973391080.db2.gz AZOXGGRANNUQIG-IHRRRGAJSA-N 2 0 285.407 1.315 10 0 CDAERP CC(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001417812701 973399291 /nfs/dbraw/zinc/39/92/91/973399291.db2.gz LBGBKWILPKRYFD-ARFHVFGLSA-N 2 0 295.471 1.859 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C)C[NH2+]CC=C(C)C)[NH+](C)C ZINC001497911750 973573496 /nfs/dbraw/zinc/57/34/96/973573496.db2.gz ASBBYWOPNHPIED-OLZOCXBDSA-N 2 0 255.406 1.387 10 0 CDAERP C[C@H](C[NH2+]CC=C(Cl)Cl)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001497983313 973598379 /nfs/dbraw/zinc/59/83/79/973598379.db2.gz ARSDTPPDEFKGQJ-ZJUUUORDSA-N 2 0 294.226 1.351 10 0 CDAERP Cc1ncsc1C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001498022841 973627232 /nfs/dbraw/zinc/62/72/32/973627232.db2.gz YTPPZSQRNOMYJV-JQWIXIFHSA-N 2 0 296.440 1.140 10 0 CDAERP C[C@@H](CNC(=O)CCC[NH+](C)C)[NH2+]Cc1cncc(F)c1 ZINC001418262417 973704578 /nfs/dbraw/zinc/70/45/78/973704578.db2.gz FPVOUTFFAODHOS-LBPRGKRZSA-N 2 0 296.390 1.157 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CC1CC2(CCC2)C1 ZINC001418263918 973706599 /nfs/dbraw/zinc/70/65/99/973706599.db2.gz AXNKLDSIGSWHGQ-ZDUSSCGKSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]C/C=C\c1ccccc1 ZINC001418269369 973713477 /nfs/dbraw/zinc/71/34/77/973713477.db2.gz QJIYBVSMCABMBH-YYRKOSNBSA-N 2 0 289.423 1.746 10 0 CDAERP Cc1ncsc1C[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001498196955 973736718 /nfs/dbraw/zinc/73/67/18/973736718.db2.gz CVAGUFPRNXTFRB-NSHDSACASA-N 2 0 298.456 1.386 10 0 CDAERP C[C@@H](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CC1CCC1 ZINC001418396008 973796329 /nfs/dbraw/zinc/79/63/29/973796329.db2.gz MXHMCNGQZUSHIS-XJKSGUPXSA-N 2 0 293.455 1.613 10 0 CDAERP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]C[C@@H]1CCCCO1 ZINC001418433655 973821040 /nfs/dbraw/zinc/82/10/40/973821040.db2.gz SUCDPPJZULNSOC-CABCVRRESA-N 2 0 297.443 1.136 10 0 CDAERP C[C@@H](C[NH2+]CC1CCCC1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001374313497 973888151 /nfs/dbraw/zinc/88/81/51/973888151.db2.gz OWKASXKLHNICJB-GOEBONIOSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](C[N@H+](C)CC1=CCCCC1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001498450117 973922583 /nfs/dbraw/zinc/92/25/83/973922583.db2.gz KCGXKHAIBMFIIK-HOCLYGCPSA-N 2 0 293.455 1.875 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]C(C)C)C(C)C ZINC001374455001 973953099 /nfs/dbraw/zinc/95/30/99/973953099.db2.gz RUPMQWJKPPGALV-CABCVRRESA-N 2 0 283.460 2.000 10 0 CDAERP CC(C)[NH2+]C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001498780162 974060281 /nfs/dbraw/zinc/06/02/81/974060281.db2.gz YZHQWISIWNTPNW-HNNXBMFYSA-N 2 0 293.455 1.755 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1cccc(F)c1)[NH+](C)C ZINC001374834865 974143520 /nfs/dbraw/zinc/14/35/20/974143520.db2.gz OBZYEAFKXNPXKH-IUODEOHRSA-N 2 0 295.402 1.760 10 0 CDAERP C[C@H](C[NH2+]CC1CCCCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001374848386 974147454 /nfs/dbraw/zinc/14/74/54/974147454.db2.gz VECIBEZCGKVSET-HIFRSBDPSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)C[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001499261202 974223769 /nfs/dbraw/zinc/22/37/69/974223769.db2.gz ILYOZLDHLVHJPZ-HUUCEWRRSA-N 2 0 293.455 1.898 10 0 CDAERP C[C@H](C[N@H+](C)CCc1ccns1)NC(=O)CC[NH+](C)C ZINC001375104266 974260868 /nfs/dbraw/zinc/26/08/68/974260868.db2.gz XUFSFQXYNYSVLB-GFCCVEGCSA-N 2 0 298.456 1.074 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CCC[C@H]1C[NH2+]CCC1CC1 ZINC001499950846 974342833 /nfs/dbraw/zinc/34/28/33/974342833.db2.gz OMEAIYJGWAKSCZ-HNNXBMFYSA-N 2 0 279.428 1.463 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@]1(C)CC[NH+](CCC2CC2)C1 ZINC001500292914 974416062 /nfs/dbraw/zinc/41/60/62/974416062.db2.gz OWLDOXPUWGDDRT-INIZCTEOSA-N 2 0 281.444 1.707 10 0 CDAERP CCCC[N@H+](CCO)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001375632622 974439785 /nfs/dbraw/zinc/43/97/85/974439785.db2.gz NJDWNFRFZXYOKU-HNNXBMFYSA-N 2 0 299.459 1.024 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N1CCCCC[C@@H]([NH2+]C[C@@H](C)O)C1 ZINC001375651599 974444348 /nfs/dbraw/zinc/44/43/48/974444348.db2.gz PDOLKZHPHBYVGL-HUUCEWRRSA-N 2 0 299.459 1.068 10 0 CDAERP CC(C)[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001501581126 974602942 /nfs/dbraw/zinc/60/29/42/974602942.db2.gz ATYFXGVDDGPPFT-LSDHHAIUSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@@H](F)CN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001376305881 974626319 /nfs/dbraw/zinc/62/63/19/974626319.db2.gz JYJGJJFSAJJJIO-MCIONIFRSA-N 2 0 285.407 1.361 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001376559900 974686710 /nfs/dbraw/zinc/68/67/10/974686710.db2.gz RSVZEMFCCGJXRL-OAHLLOKOSA-N 2 0 293.455 1.566 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001376920979 974818686 /nfs/dbraw/zinc/81/86/86/974818686.db2.gz JQAUEFWMZYVKOE-OLZOCXBDSA-N 2 0 283.391 1.021 10 0 CDAERP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+]Cc1cccnc1 ZINC001377063836 974872572 /nfs/dbraw/zinc/87/25/72/974872572.db2.gz YNZHYGKDYVBFFB-CYBMUJFWSA-N 2 0 278.400 1.018 10 0 CDAERP CC[NH2+]C1(CC)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001377115085 974888992 /nfs/dbraw/zinc/88/89/92/974888992.db2.gz LCBJDVMJXRFNBU-AWEZNQCLSA-N 2 0 283.460 1.953 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1CC1CC(C)(C)C1 ZINC001377417900 975015862 /nfs/dbraw/zinc/01/58/62/975015862.db2.gz XWJLPZGXVHADDR-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP CCCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001505920350 975044144 /nfs/dbraw/zinc/04/41/44/975044144.db2.gz LBYPDBMBRKFLDE-ZFWWWQNUSA-N 2 0 281.444 1.565 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CCF)C1 ZINC001377789352 975140370 /nfs/dbraw/zinc/14/03/70/975140370.db2.gz VQTMLDLICFHXQA-GJZGRUSLSA-N 2 0 299.434 1.611 10 0 CDAERP CCCC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001506932127 975265101 /nfs/dbraw/zinc/26/51/01/975265101.db2.gz GHGAOQXJLQOIFM-UONOGXRCSA-N 2 0 269.433 1.755 10 0 CDAERP CC[C@H](C)C[N@H+](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001506961483 975275933 /nfs/dbraw/zinc/27/59/33/975275933.db2.gz RCCZYPRSHGPZCI-AWEZNQCLSA-N 2 0 283.460 1.907 10 0 CDAERP CC(C)OCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001507078423 975327406 /nfs/dbraw/zinc/32/74/06/975327406.db2.gz GFYQHIHLJXGPJP-RBSFLKMASA-N 2 0 299.459 1.188 10 0 CDAERP CC(C)CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001507289519 975400827 /nfs/dbraw/zinc/40/08/27/975400827.db2.gz KAVWQAJCPOBBKH-LSDHHAIUSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+]Cc1ccccn1 ZINC001378640807 975425362 /nfs/dbraw/zinc/42/53/62/975425362.db2.gz OYXDMUJIAOHSBR-AWEZNQCLSA-N 2 0 292.427 1.264 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@]12CCC[C@H]1[N@H+](CCC1CC1)CC2 ZINC001507349094 975426427 /nfs/dbraw/zinc/42/64/27/975426427.db2.gz RDXAMEOTHLIPGM-NVXWUHKLSA-N 2 0 293.455 1.851 10 0 CDAERP Cc1nocc1C[NH2+]C[C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001401151583 975484413 /nfs/dbraw/zinc/48/44/13/975484413.db2.gz HGKFNHKPRVXYJO-LBPRGKRZSA-N 2 0 296.415 1.165 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001378842936 975515546 /nfs/dbraw/zinc/51/55/46/975515546.db2.gz KYJJHADWLOKYTM-KGLIPLIRSA-N 2 0 281.444 1.565 10 0 CDAERP COC[C@H](C)[NH2+]CC[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001378922662 975543859 /nfs/dbraw/zinc/54/38/59/975543859.db2.gz VIXOSFODBQVIIQ-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP CC[NH2+]CCOCCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001508177565 975630156 /nfs/dbraw/zinc/63/01/56/975630156.db2.gz GHYRPNPDYFUWBY-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CN(CC[N@H+](C)Cc1ccccc1)C(=O)CC[NH+](C)C ZINC001379093577 975658621 /nfs/dbraw/zinc/65/86/21/975658621.db2.gz ISWURNCWTXPVGT-UHFFFAOYSA-N 2 0 277.412 1.529 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCC1CC1 ZINC001405294896 975707538 /nfs/dbraw/zinc/70/75/38/975707538.db2.gz ZJJDAOPRFICBJN-GJZGRUSLSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H](C[NH2+]C[C@@H]1CCCCO1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001401636576 975754151 /nfs/dbraw/zinc/75/41/51/975754151.db2.gz FHSKNMAOYSBMAO-ILXRZTDVSA-N 2 0 297.443 1.134 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CCN(Cc2ocnc2C)C1)[NH+](C)C ZINC001389509205 975878442 /nfs/dbraw/zinc/87/84/42/975878442.db2.gz KUYTUZYZIPZKON-QWHCGFSZSA-N 2 0 294.399 1.014 10 0 CDAERP CCC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC1 ZINC001389619547 975935461 /nfs/dbraw/zinc/93/54/61/975935461.db2.gz XIJAQXVYWMFCKW-SOUVJXGZSA-N 2 0 281.444 1.611 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH2+]C/C=C\Cl)C1CC1 ZINC001389673511 975948733 /nfs/dbraw/zinc/94/87/33/975948733.db2.gz XDBRUNGRDJGQMB-GHGQEBASSA-N 2 0 299.846 1.708 10 0 CDAERP CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001401925852 976014466 /nfs/dbraw/zinc/01/44/66/976014466.db2.gz OIPYNOLMVJWICX-HUUCEWRRSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H]([NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1)c1ccccc1 ZINC001398524961 976018511 /nfs/dbraw/zinc/01/85/11/976018511.db2.gz OPPLZXUTLBJWMT-ZBFHGGJFSA-N 2 0 289.423 1.890 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001390007102 976082026 /nfs/dbraw/zinc/08/20/26/976082026.db2.gz ICRMXYCUZCHQSB-KFWWJZLASA-N 2 0 299.434 1.703 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H]1CCC[NH+](CC2CC2)C1 ZINC001390161002 976147462 /nfs/dbraw/zinc/14/74/62/976147462.db2.gz MBIQNEYMAJZPDV-GOEBONIOSA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@@H](C(=O)NC[C@H]1CC[N@@H+]1CC1CCCC1)[NH+](C)C ZINC001380022671 976195075 /nfs/dbraw/zinc/19/50/75/976195075.db2.gz LDNUSNBCVIBDDA-CABCVRRESA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C1CC[NH+](CCF)CC1 ZINC001380146701 976260304 /nfs/dbraw/zinc/26/03/04/976260304.db2.gz RYIBDBAFEBVCKO-ZDUSSCGKSA-N 2 0 287.423 1.513 10 0 CDAERP CC[C@@H](C)C[N@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001406641556 976326921 /nfs/dbraw/zinc/32/69/21/976326921.db2.gz XTJMQYCHYROAHU-ZIAGYGMSSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CCC(C)(C)C ZINC001399107582 976344131 /nfs/dbraw/zinc/34/41/31/976344131.db2.gz JRRZMRBFMPYBTP-ZDUSSCGKSA-N 2 0 281.444 1.613 10 0 CDAERP Cc1ccccc1C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001390524227 976350481 /nfs/dbraw/zinc/35/04/81/976350481.db2.gz WPSVRWPBROYILF-GOEBONIOSA-N 2 0 289.423 1.541 10 0 CDAERP C[C@@H](F)CC[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001406713949 976378267 /nfs/dbraw/zinc/37/82/67/976378267.db2.gz YXQGUJNVMLDPGG-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP CC[C@H](C(=O)N1CC[C@@H](C[NH2+]CC2CC2)C1)[NH+](CC)CC ZINC001399250137 976396353 /nfs/dbraw/zinc/39/63/53/976396353.db2.gz YDTIVZCUBFTEKY-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@]1(C)CC[NH+](C[C@@H](C)CC)C1 ZINC001380386891 976400762 /nfs/dbraw/zinc/40/07/62/976400762.db2.gz XCDMKGXOMNVPRV-HOCLYGCPSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+]Cc1cncc(F)c1 ZINC001390693790 976441760 /nfs/dbraw/zinc/44/17/60/976441760.db2.gz BCVSFNWTCWCOGI-GFCCVEGCSA-N 2 0 296.390 1.157 10 0 CDAERP CC(C)[NH2+][C@H](C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001399429235 976478535 /nfs/dbraw/zinc/47/85/35/976478535.db2.gz HPOWNTZXYUXMQC-CABCVRRESA-N 2 0 283.460 2.000 10 0 CDAERP O=C(NCC1([NH2+]CCF)CC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001406935698 976484073 /nfs/dbraw/zinc/48/40/73/976484073.db2.gz HADLELNOCOJYGI-STQMWFEESA-N 2 0 283.391 1.211 10 0 CDAERP CC(C)[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001380783262 976547620 /nfs/dbraw/zinc/54/76/20/976547620.db2.gz VWBRWHAYYNLNND-RBSFLKMASA-N 2 0 281.444 1.563 10 0 CDAERP CN(CCC[N@H+](C)Cc1ccccn1)C(=O)CC[NH+](C)C ZINC001380971933 976633836 /nfs/dbraw/zinc/63/38/36/976633836.db2.gz QRYDGCKRFZDFMO-UHFFFAOYSA-N 2 0 292.427 1.314 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001402991345 976645941 /nfs/dbraw/zinc/64/59/41/976645941.db2.gz DUMWPGKUJATGBL-CHWSQXEVSA-N 2 0 287.423 1.703 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCF)C2 ZINC001407483459 976677243 /nfs/dbraw/zinc/67/72/43/976677243.db2.gz WYRQMZKQDOVNAJ-MJBXVCDLSA-N 2 0 285.407 1.267 10 0 CDAERP CC[NH2+][C@@H](CNC(=O)CC[NH+](C)C)c1ccccc1CC ZINC001407510108 976684699 /nfs/dbraw/zinc/68/46/99/976684699.db2.gz KICJPCWQWFEZBW-INIZCTEOSA-N 2 0 291.439 1.968 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001399919277 976747936 /nfs/dbraw/zinc/74/79/36/976747936.db2.gz WHIDDXCCWOMHLZ-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[NH2+][C@@H](C)[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CCO1 ZINC001403425690 976946343 /nfs/dbraw/zinc/94/63/43/976946343.db2.gz UMVPZVSAFLEYFH-LSDHHAIUSA-N 2 0 299.459 1.188 10 0 CDAERP CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001408331404 977010615 /nfs/dbraw/zinc/01/06/15/977010615.db2.gz RSYXAIRSPPQATO-MRXNPFEDSA-N 2 0 295.471 1.909 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC1CCC1 ZINC001391699837 977051292 /nfs/dbraw/zinc/05/12/92/977051292.db2.gz FESYXYNJWMUBON-HUUCEWRRSA-N 2 0 281.444 1.755 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[NH+]([C@@H](C)COC)CC1(C)C ZINC001381869047 977059990 /nfs/dbraw/zinc/05/99/90/977059990.db2.gz HZZLLOUNGWNTSD-KBPBESRZSA-N 2 0 299.459 1.190 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC1CC1 ZINC001403568585 977070214 /nfs/dbraw/zinc/07/02/14/977070214.db2.gz NZNJISFZTFHJKU-HIFRSBDPSA-N 2 0 281.444 1.707 10 0 CDAERP C[NH+](CC(=O)NCC[N@@H+](C)CC1CCCC1)C1CCC1 ZINC001403576685 977075115 /nfs/dbraw/zinc/07/51/15/977075115.db2.gz NGHUWSZLFJVGSQ-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@H]2C[N@H+](CC3CC3)C[C@@H]2C1 ZINC001381929547 977085330 /nfs/dbraw/zinc/08/53/30/977085330.db2.gz MFZAZQSVWUAUHU-HRCADAONSA-N 2 0 293.455 1.565 10 0 CDAERP C[C@H](F)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C[NH+](C)C)CC1 ZINC001400582483 977102999 /nfs/dbraw/zinc/10/29/99/977102999.db2.gz PIFHIMRUYNRXDK-IHRRRGAJSA-N 2 0 297.418 1.361 10 0 CDAERP CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001403775149 977183086 /nfs/dbraw/zinc/18/30/86/977183086.db2.gz WEADZVMMMHLLIX-OWCLPIDISA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC1CC1 ZINC001392058894 977207865 /nfs/dbraw/zinc/20/78/65/977207865.db2.gz IBGWTOVTDRCWJU-HIFRSBDPSA-N 2 0 281.444 1.706 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]C[C@H](C)OC)C(C)(C)C1 ZINC001403831852 977220592 /nfs/dbraw/zinc/22/05/92/977220592.db2.gz TVYNUACJINTBED-UONOGXRCSA-N 2 0 299.459 1.190 10 0 CDAERP CCC[N@H+](C)CCN(C(=O)C[NH+](C)C(C)C)C(C)C ZINC001382504579 977292994 /nfs/dbraw/zinc/29/29/94/977292994.db2.gz KAQXERBLUZIOCR-UHFFFAOYSA-N 2 0 271.449 1.905 10 0 CDAERP CC1CC(C[N@@H+]2CCC[C@@H]2CNC(=O)CC[NH+](C)C)C1 ZINC001403999393 977300394 /nfs/dbraw/zinc/30/03/94/977300394.db2.gz DCJTWHZPXNHUAJ-YMAMQOFZSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](CC2CC2)C1)[NH+](CC)CC ZINC001404099680 977335181 /nfs/dbraw/zinc/33/51/81/977335181.db2.gz VLROMFSHUFODIU-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CC1CC1 ZINC001392740852 977578919 /nfs/dbraw/zinc/57/89/19/977578919.db2.gz YUDGXWRMOXGOAW-HUUCEWRRSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@H](NC(=O)CCC[NH+](C)C)C1C[NH+](CC2CCCC2)C1 ZINC001394258814 978120448 /nfs/dbraw/zinc/12/04/48/978120448.db2.gz ZROZWDBVXAMXRQ-AWEZNQCLSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001675920830 1174164693 /nfs/dbraw/zinc/16/46/93/1174164693.db2.gz SCCJYHHTOVYWEV-ZIAGYGMSSA-N 2 0 269.433 1.754 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH2+]CCF)C(C)(C)C ZINC001677306744 1174346450 /nfs/dbraw/zinc/34/64/50/1174346450.db2.gz OOPGOLREQQAFFR-LBPRGKRZSA-N 2 0 275.412 1.417 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)C1CC[NH+](CC)CC1 ZINC001677367555 1174353602 /nfs/dbraw/zinc/35/36/02/1174353602.db2.gz FZFMRMXTOGTYNS-ZDUSSCGKSA-N 2 0 269.433 1.565 10 0 CDAERP CCC[NH2+]C1CC(N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001677448240 1174361860 /nfs/dbraw/zinc/36/18/60/1174361860.db2.gz BAIITZLQWIUXCF-UHFFFAOYSA-N 2 0 255.406 1.316 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001570093453 1170076339 /nfs/dbraw/zinc/07/63/39/1170076339.db2.gz FZXLYOYTECPZMC-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CCCOC)CC1 ZINC001570185787 1170105601 /nfs/dbraw/zinc/10/56/01/1170105601.db2.gz RRYKLRSYBQZTEC-HNNXBMFYSA-N 2 0 299.459 1.335 10 0 CDAERP CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001570636492 1170218944 /nfs/dbraw/zinc/21/89/44/1170218944.db2.gz JOCQAPRXRQFWFA-QWHCGFSZSA-N 2 0 269.433 1.611 10 0 CDAERP CC[NH2+]CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001571307997 1170362208 /nfs/dbraw/zinc/36/22/08/1170362208.db2.gz JDXRVJWJLVBAAD-OLZOCXBDSA-N 2 0 255.406 1.223 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)[C@@H]1C ZINC001571526345 1170464236 /nfs/dbraw/zinc/46/42/36/1170464236.db2.gz FODLBEOFNAGZAY-STQMWFEESA-N 2 0 255.406 1.316 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001656170426 1171783010 /nfs/dbraw/zinc/78/30/10/1171783010.db2.gz SWLROTDGQOSHHU-SOUVJXGZSA-N 2 0 281.444 1.613 10 0 CDAERP COCC[NH2+]C1CC[NH+](CC(C)(C)COC)CC1 ZINC000650704629 398148877 /nfs/dbraw/zinc/14/88/77/398148877.db2.gz MZDLZNYFHLRTBJ-UHFFFAOYSA-N 2 0 258.406 1.359 10 0 CDAERP CCO[C@@H]1C[N@H+](Cc2cccc3c2NCC3)C[C@H]1C[NH3+] ZINC000650714454 398156534 /nfs/dbraw/zinc/15/65/34/398156534.db2.gz FORPZKVDBFTSGZ-HUUCEWRRSA-N 2 0 275.396 1.450 10 0 CDAERP [NH3+]CC1(CC[NH2+][C@@H](c2cnn[nH]2)c2ccc(F)cc2)CC1 ZINC000650746384 398173615 /nfs/dbraw/zinc/17/36/15/398173615.db2.gz AUYAHAFUDMPUDK-CQSZACIVSA-N 2 0 289.358 1.752 10 0 CDAERP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C(C)C)C1(CO)CC=CC1 ZINC000653777617 539086231 /nfs/dbraw/zinc/08/62/31/539086231.db2.gz QJXKYYLHKWDUSM-HUUCEWRRSA-N 2 0 284.444 1.242 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000623719954 342559283 /nfs/dbraw/zinc/55/92/83/342559283.db2.gz PSPVXPHGNNGCKD-UKRRQHHQSA-N 2 0 296.459 1.643 10 0 CDAERP C[C@H]1CC[N@H+](CCOC2CCOCC2)C[C@@H]1n1ccnc1 ZINC000625267353 342063104 /nfs/dbraw/zinc/06/31/04/342063104.db2.gz XLOURUXFQSBLBU-HOCLYGCPSA-N 2 0 293.411 1.962 10 0 CDAERP C[C@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)C1CC[NH+](C)CC1 ZINC000624343025 342157709 /nfs/dbraw/zinc/15/77/09/342157709.db2.gz NTKMZFRQBLGIRD-WFASDCNBSA-N 2 0 279.428 1.460 10 0 CDAERP COC(=O)[C@@H]1C[N@H+](C[C@@H]([NH3+])CC(C)C)C[C@H]1C1CC1 ZINC000593322616 342788499 /nfs/dbraw/zinc/78/84/99/342788499.db2.gz NQYKFJMBLKLAOX-MELADBBJSA-N 2 0 268.401 1.491 10 0 CDAERP CC1(C)CC(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000625561311 342187816 /nfs/dbraw/zinc/18/78/16/342187816.db2.gz SYQHLEGUEGUPJJ-HNNXBMFYSA-N 2 0 266.429 1.954 10 0 CDAERP C[NH2+]CCOCC[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000629392038 361907577 /nfs/dbraw/zinc/90/75/77/361907577.db2.gz IBRYDAIPLROEJK-UHFFFAOYSA-N 3 0 257.422 1.075 10 0 CDAERP COc1ccccc1/C=C/C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000077450569 342198495 /nfs/dbraw/zinc/19/84/95/342198495.db2.gz JTXAOZQCJVWORY-FNORWQNLSA-N 2 0 290.407 1.755 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1cnn(-c2ccc(F)cc2)c1 ZINC000629399171 361918490 /nfs/dbraw/zinc/91/84/90/361918490.db2.gz NJWMKZIHJLXKFD-UHFFFAOYSA-N 2 0 292.358 1.466 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CC2(CC(=O)OC)CC2)[C@H](C)C1 ZINC000440774924 361921999 /nfs/dbraw/zinc/92/19/99/361921999.db2.gz ZTKASGIEXXLTFA-ZIAGYGMSSA-N 2 0 282.428 1.992 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1c(F)cccc1Cl ZINC000629398789 361932385 /nfs/dbraw/zinc/93/23/85/361932385.db2.gz YWJKKTIYRZDKBC-UHFFFAOYSA-N 2 0 260.740 1.934 10 0 CDAERP Cn1cnc2cc(C[NH2+]CCOCCC[NH3+])ccc21 ZINC000629399690 361937043 /nfs/dbraw/zinc/93/70/43/361937043.db2.gz KBSHLFABNGKONG-UHFFFAOYSA-N 2 0 262.357 1.028 10 0 CDAERP [NH3+]C1CCC(C(=O)N2CC[NH+](C3CCCC3)CC2)CC1 ZINC000052062716 539040083 /nfs/dbraw/zinc/04/00/83/539040083.db2.gz NPBJBOIELAOVAK-UHFFFAOYSA-N 2 0 279.428 1.591 10 0 CDAERP C[C@H](CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1)[S@](C)=O ZINC000594932349 342975622 /nfs/dbraw/zinc/97/56/22/342975622.db2.gz ZUQGECWKJSSNGF-ODXCJYRJSA-N 2 0 292.408 1.514 10 0 CDAERP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CCC[N@H+](C)CC(C)C ZINC000594947413 342981341 /nfs/dbraw/zinc/98/13/41/342981341.db2.gz CZVXLGAAQQTURQ-MELADBBJSA-N 2 0 270.417 1.752 10 0 CDAERP CCC[NH+]1CCC([NH2+][C@H](C)[C@@H]2C[C@@H]2C(=O)OC)CC1 ZINC000594920215 342986888 /nfs/dbraw/zinc/98/68/88/342986888.db2.gz SXPDJQHUWQNIEL-XBFCOCLRSA-N 2 0 268.401 1.648 10 0 CDAERP CN(C)c1nccc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1 ZINC000077218844 342328493 /nfs/dbraw/zinc/32/84/93/342328493.db2.gz KGLUSEUGZYYPLK-CYBMUJFWSA-N 2 0 275.400 1.607 10 0 CDAERP COC(=O)CC[N@H+](CC(C)C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000595892602 343182291 /nfs/dbraw/zinc/18/22/91/343182291.db2.gz NJLBSMMIDQFCGS-ZDUSSCGKSA-N 2 0 284.400 1.029 10 0 CDAERP COC(=O)[C@@H]1CCCN1Cc1cccc2c1CC[NH2+]C2 ZINC000595892571 343182340 /nfs/dbraw/zinc/18/23/40/343182340.db2.gz MRXNZJNWEOEEOZ-HNNXBMFYSA-N 2 0 274.364 1.470 10 0 CDAERP Cc1cccc(C[N@@H+]2C[C@H](CO)C3(C2)CC[NH2+]CC3)c1 ZINC000169782188 362121174 /nfs/dbraw/zinc/12/11/74/362121174.db2.gz XRXGZYJEDZHFLG-MRXNPFEDSA-N 2 0 274.408 1.789 10 0 CDAERP CC(C)[C@H](C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1)[C@@H](C)[NH3+] ZINC000645108353 362121787 /nfs/dbraw/zinc/12/17/87/362121787.db2.gz XJAWALBRAJZCLI-BARDWOONSA-N 2 0 281.444 1.596 10 0 CDAERP [NH3+]CC1(CC(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)CC1 ZINC000645108313 362121964 /nfs/dbraw/zinc/12/19/64/362121964.db2.gz WUEGKUFIVVSEKK-QWHCGFSZSA-N 2 0 265.401 1.106 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000596057994 343222557 /nfs/dbraw/zinc/22/25/57/343222557.db2.gz ATJNJFZPWMDASS-SLBVQIDZSA-N 2 0 294.439 1.896 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H](n1cccn1)C(F)(F)F ZINC000629514605 362130139 /nfs/dbraw/zinc/13/01/39/362130139.db2.gz MCGJYWGGYDPTIH-IVZWLZJFSA-N 2 0 264.295 1.702 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000629530209 362158804 /nfs/dbraw/zinc/15/88/04/362158804.db2.gz ZJNIGUSSRLWBGF-RDJZCZTQSA-N 2 0 292.423 1.980 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000629531094 362160649 /nfs/dbraw/zinc/16/06/49/362160649.db2.gz ZXDYOQJKNYOXLO-QLFBSQMISA-N 2 0 270.417 1.407 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H]1CCCNc2ccccc21 ZINC000629530135 362161222 /nfs/dbraw/zinc/16/12/22/362161222.db2.gz WKQOBTNMZWCHPR-HNNXBMFYSA-N 2 0 263.385 1.759 10 0 CDAERP C[NH+](C)[C@@H]1CCCN(c2nc(N)[nH+]c3c2CCCC3)C1 ZINC000645154086 362175636 /nfs/dbraw/zinc/17/56/36/362175636.db2.gz LSKHGFHCBWYYPW-LLVKDONJSA-N 2 0 275.400 1.298 10 0 CDAERP CO[C@@H]1COC[C@H]1[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000571283459 362239227 /nfs/dbraw/zinc/23/92/27/362239227.db2.gz LXLGLUYSPMCUNR-HUUCEWRRSA-N 2 0 288.351 1.079 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000262289171 344697062 /nfs/dbraw/zinc/69/70/62/344697062.db2.gz NEECQOAWYRKDST-RRFJBIMHSA-N 2 0 281.444 1.885 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000618554828 344980182 /nfs/dbraw/zinc/98/01/82/344980182.db2.gz JJPRFEKDIKJIHB-CHWSQXEVSA-N 2 0 270.421 1.110 10 0 CDAERP CC1CC[NH+](CCCNC(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC000079519848 362659481 /nfs/dbraw/zinc/65/94/81/362659481.db2.gz GDBRKDZYIJMZOA-HNNXBMFYSA-N 2 0 267.417 1.367 10 0 CDAERP CC[C@H](C(=O)N(CC)[C@H]1CC[N@H+](C)C1)[NH+](CC)CC ZINC000617555317 345850186 /nfs/dbraw/zinc/85/01/86/345850186.db2.gz ULSGRIYSWSXIHA-UONOGXRCSA-N 2 0 269.433 1.659 10 0 CDAERP CC(C)[C@H](C[NH2+]C1CCC([NH3+])CC1)N1CCCC1 ZINC000094075574 535016555 /nfs/dbraw/zinc/01/65/55/535016555.db2.gz HGJFBMPFMDWEFI-NRXISQOPSA-N 2 0 253.434 1.966 10 0 CDAERP CC[NH+]1CCC(N[C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623340954 346069858 /nfs/dbraw/zinc/06/98/58/346069858.db2.gz HJBKCLLHPFLBTC-AWEZNQCLSA-N 2 0 253.434 1.933 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCn2cncn2)CC1(C)C ZINC000623349671 346077114 /nfs/dbraw/zinc/07/71/14/346077114.db2.gz IXJBHNLBFFNMOL-LBPRGKRZSA-N 2 0 251.378 1.131 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623357349 346084967 /nfs/dbraw/zinc/08/49/67/346084967.db2.gz KBWMWDOYBDQRRM-HZPDHXFCSA-N 3 0 296.503 1.475 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CCNC(=O)c2ccccc2)CC1(C)C ZINC000623380712 346116472 /nfs/dbraw/zinc/11/64/72/346116472.db2.gz MJROCKWENXKWGC-OAHLLOKOSA-N 2 0 289.423 1.879 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CCNC(=O)C(C)(C)C)CC1(C)C ZINC000623404991 346182145 /nfs/dbraw/zinc/18/21/45/346182145.db2.gz TVTBZIBMCISSDN-GFCCVEGCSA-N 2 0 269.433 1.611 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCN2CCCCC2=O)CC1(C)C ZINC000623408088 346238686 /nfs/dbraw/zinc/23/86/86/346238686.db2.gz HZONZUVRUOVIDC-AWEZNQCLSA-N 2 0 281.444 1.851 10 0 CDAERP CCC1(CC)[C@H]([NH2+][C@H](CCC[NH3+])COC)C[C@@H]1OC ZINC000422941182 282460908 /nfs/dbraw/zinc/46/09/08/282460908.db2.gz ODZDWVJLAHNAFN-MCIONIFRSA-N 2 0 272.433 1.924 10 0 CDAERP CC(C)[C@H](CNC(=O)[C@H]1CCCC[C@@H]1[NH3+])[NH+]1CCCC1 ZINC000085371105 179041279 /nfs/dbraw/zinc/04/12/79/179041279.db2.gz RPQIXXADOLAXPO-KKUMJFAQSA-N 2 0 281.444 1.741 10 0 CDAERP [NH3+][C@H]1COC[C@@H]1C[NH2+]Cc1cc(Br)cs1 ZINC000085376321 179044714 /nfs/dbraw/zinc/04/47/14/179044714.db2.gz KEUXSHKEHKBUNZ-XVKPBYJWSA-N 2 0 291.214 1.574 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C2CCC(C(N)=O)CC2)CC1(C)C ZINC000623418823 346356634 /nfs/dbraw/zinc/35/66/34/346356634.db2.gz HMNSZRURPZZUOY-BPCQOVAHSA-N 2 0 267.417 1.493 10 0 CDAERP C[N@H+](CCn1c2c(nc1C(F)(F)F)C[NH2+]CC2)C1CC1 ZINC000085572191 179097030 /nfs/dbraw/zinc/09/70/30/179097030.db2.gz PEOBUOLBKYKDBK-UHFFFAOYSA-N 2 0 288.317 1.642 10 0 CDAERP Cc1nccn1CC[N@@H+]1CCC[NH2+][C@H](C(C)C)C1 ZINC000085608319 179100807 /nfs/dbraw/zinc/10/08/07/179100807.db2.gz IBOYYKDTUJUZQB-AWEZNQCLSA-N 2 0 250.390 1.511 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC000635926150 362757686 /nfs/dbraw/zinc/75/76/86/362757686.db2.gz OKFUJCAHEXBOIU-KBPBESRZSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@@H](NCCN[C@@H](C)[C@@H]1CCCC[NH2+]1)[C@H]1CCCC[NH2+]1 ZINC000584614447 346500027 /nfs/dbraw/zinc/50/00/27/346500027.db2.gz MRBNUDJZFRQZGS-GEEKYZPCSA-N 2 0 282.476 1.227 10 0 CDAERP CC[C@@](C[NH3+])(C1CC1)N1CC[NH+](C(C)(C)C)CC1 ZINC000086120287 179235100 /nfs/dbraw/zinc/23/51/00/179235100.db2.gz NALPCVULKOYPER-OAHLLOKOSA-N 2 0 253.434 1.920 10 0 CDAERP CC[C@@H](C)[C@H]1CN([C@@H]2C[NH+]3CCC2CC3)CC[NH2+]1 ZINC000086124857 179235569 /nfs/dbraw/zinc/23/55/69/179235569.db2.gz NZRBEKUQZVJOKT-BPLDGKMQSA-N 2 0 251.418 1.401 10 0 CDAERP CC(C)(C)[C@@H]1CN([C@@H]2C[NH+]3CCC2CC3)CC[NH2+]1 ZINC000086124880 179236171 /nfs/dbraw/zinc/23/61/71/179236171.db2.gz QGZQBFBRSICSOJ-KGLIPLIRSA-N 2 0 251.418 1.401 10 0 CDAERP CCC[NH+]1CCC(N2C[C@H](C)[NH2+]C[C@@H]2CC)CC1 ZINC000086173171 179244757 /nfs/dbraw/zinc/24/47/57/179244757.db2.gz BVVNNIRTZYEYFD-KBPBESRZSA-N 2 0 253.434 1.933 10 0 CDAERP CC[C@@H]1C[NH2+][C@H](C2CC2)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086223960 179253462 /nfs/dbraw/zinc/25/34/62/179253462.db2.gz JWPAUVKIXQURCF-KFWWJZLASA-N 2 0 251.418 1.543 10 0 CDAERP CC[C@@H]1C[NH2+][C@H](C2CC2)CN1C[C@@H]1CCC[N@H+](C)C1 ZINC000086259237 179258146 /nfs/dbraw/zinc/25/81/46/179258146.db2.gz KLPMPBHMNHDKER-BMFZPTHFSA-N 2 0 265.445 1.791 10 0 CDAERP CC(C)C[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000068334852 347562432 /nfs/dbraw/zinc/56/24/32/347562432.db2.gz WEQFCMIELOYGEY-OAHLLOKOSA-N 2 0 299.459 1.047 10 0 CDAERP CC[C@H]1CN([C@@H]2CC[N@@H+](C3CC3)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086259642 179259105 /nfs/dbraw/zinc/25/91/05/179259105.db2.gz XUAZRDUUWRFFIN-IMJJTQAJSA-N 2 0 265.445 1.932 10 0 CDAERP [NH3+]C/C=C\CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000641862446 365946424 /nfs/dbraw/zinc/94/64/24/365946424.db2.gz OGKSUBTYFBRERH-SFAKSCPVSA-N 2 0 280.416 1.161 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC3(C2)CC[NH+](C)CC3)C1 ZINC000614958969 348286487 /nfs/dbraw/zinc/28/64/87/348286487.db2.gz OXOAXOWASQCXLV-CQSZACIVSA-N 2 0 279.428 1.273 10 0 CDAERP C[C@H]1C[C@H](C)C[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000042247147 348720944 /nfs/dbraw/zinc/72/09/44/348720944.db2.gz JOMJODYMZZNXQU-KBPBESRZSA-N 2 0 293.455 1.707 10 0 CDAERP C[NH+](C)Cc1cccc(NC(=O)N[C@@H]2CCC[N@H+](C)C2)c1 ZINC000617924754 349365761 /nfs/dbraw/zinc/36/57/61/349365761.db2.gz KBDQKHMAEIAGNO-OAHLLOKOSA-N 2 0 290.411 1.964 10 0 CDAERP C[C@@H]([NH2+]CCOCCC[NH3+])c1ccc(-n2cncn2)cc1 ZINC000629537789 362952078 /nfs/dbraw/zinc/95/20/78/362952078.db2.gz KWUURQMSNYWYNJ-CYBMUJFWSA-N 2 0 289.383 1.283 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CC[C@@H](C)[NH2+]C2)[C@@H](C)C1 ZINC000629537428 362952936 /nfs/dbraw/zinc/95/29/36/362952936.db2.gz JGKSYKBGGAWHHP-HZMVEIRTSA-N 2 0 297.487 1.854 10 0 CDAERP COc1ccc([C@H](C)[NH2+]CCOCCC[NH3+])c(OC)c1 ZINC000629542078 362966531 /nfs/dbraw/zinc/96/65/31/362966531.db2.gz XWCBXXUILUKARH-LBPRGKRZSA-N 2 0 282.384 1.720 10 0 CDAERP CO[C@H]1C[C@@H](C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])C1 ZINC000629553893 362981610 /nfs/dbraw/zinc/98/16/10/362981610.db2.gz DEJWDKAJXPHUFB-HNKHHVNMSA-N 2 0 262.397 1.960 10 0 CDAERP C[NH2+]CCOCCN(C)[C@@H](C)C(=O)Nc1ccccc1C ZINC000629567003 363013846 /nfs/dbraw/zinc/01/38/46/363013846.db2.gz LOBOGCPMVLEABI-AWEZNQCLSA-N 2 0 293.411 1.490 10 0 CDAERP C[NH2+]CCOCCN(C)[C@H](C)C(=O)Nc1ccccc1C ZINC000629567005 363014024 /nfs/dbraw/zinc/01/40/24/363014024.db2.gz LOBOGCPMVLEABI-CQSZACIVSA-N 2 0 293.411 1.490 10 0 CDAERP O[C@@H](C[NH2+]CCCc1ccccn1)C[NH+]1CCCC1 ZINC000629571118 363018010 /nfs/dbraw/zinc/01/80/10/363018010.db2.gz PVKSHMOJWWDUEW-HNNXBMFYSA-N 2 0 263.385 1.061 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CN[C@H]1CC[NH+](C)[C@@H]2CCC[C@@H]21 ZINC000624101738 351420319 /nfs/dbraw/zinc/42/03/19/351420319.db2.gz ZDYXUSTXOZYHOG-APIJFGDWSA-N 2 0 251.418 1.543 10 0 CDAERP CC(C)C[C@@H](CN(C)C)[NH2+]CCCc1cnn(C)c1 ZINC000314241365 366038675 /nfs/dbraw/zinc/03/86/75/366038675.db2.gz YEMQZORURHCCED-HNNXBMFYSA-N 2 0 266.433 1.919 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCN1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000451892290 363173804 /nfs/dbraw/zinc/17/38/04/363173804.db2.gz PBNBSZQJTTXZGP-IJLUTSLNSA-N 2 0 280.334 1.716 10 0 CDAERP C[C@]1(CNC(=O)N2CCC3(CC[NH2+]C3)CC2)CCC[NH2+]C1 ZINC000333896583 363210121 /nfs/dbraw/zinc/21/01/21/363210121.db2.gz ZDKTVEFLQCONEO-HNNXBMFYSA-N 2 0 294.443 1.161 10 0 CDAERP O[C@H](C[NH2+]C[C@H]1CCCC12CC2)C[NH+]1CCCC1 ZINC000629618259 363212419 /nfs/dbraw/zinc/21/24/19/363212419.db2.gz KUYWWLQXLPBMQM-ZIAGYGMSSA-N 2 0 252.402 1.613 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCO)C[C@H]1C ZINC000452116211 363213951 /nfs/dbraw/zinc/21/39/51/363213951.db2.gz BYWQFQRJXSNWSY-HZPDHXFCSA-N 2 0 283.460 1.248 10 0 CDAERP CCC[C@@H]([NH3+])C(=O)N1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000396393886 366092767 /nfs/dbraw/zinc/09/27/67/366092767.db2.gz UJRKOYPURVFGHC-GDBMZVCRSA-N 2 0 289.423 1.847 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1cc(OC)c(O)c(OC)c1 ZINC000629654229 363256648 /nfs/dbraw/zinc/25/66/48/363256648.db2.gz OCESPRINFHLRKE-UHFFFAOYSA-N 2 0 298.383 1.077 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)C[C@@H]1C[C@H]1c1ccccc1 ZINC000629653666 363254501 /nfs/dbraw/zinc/25/45/01/363254501.db2.gz LYHHIJWSUGASQK-HOTGVXAUSA-N 2 0 262.397 1.958 10 0 CDAERP C[N@H+](CCCCO)Cc1ccc(-n2ccnc2)nc1 ZINC000276738728 366134165 /nfs/dbraw/zinc/13/41/65/366134165.db2.gz YWHHRFMGOYNMAT-UHFFFAOYSA-N 2 0 260.341 1.472 10 0 CDAERP Cn1cc(-c2ccc(C[NH2+]CCOCCC[NH3+])s2)cn1 ZINC000629677677 363326846 /nfs/dbraw/zinc/32/68/46/363326846.db2.gz DARPOSSFUNGCGT-UHFFFAOYSA-N 2 0 294.424 1.604 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000643544830 355999694 /nfs/dbraw/zinc/99/96/94/355999694.db2.gz BGHRLSWVGLXUAN-GIGZUATISA-N 2 0 265.445 1.855 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2(C)CC[NH2+]CC2)[C@H]2CCC[C@H]21 ZINC000423322969 283134137 /nfs/dbraw/zinc/13/41/37/283134137.db2.gz HSOORUCSMLLSQO-QLFBSQMISA-N 3 0 265.445 1.839 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634766183 358503558 /nfs/dbraw/zinc/50/35/58/358503558.db2.gz VJYAQMPMQJMEBE-YDHLFZDLSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@H](CO)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000121106596 538497929 /nfs/dbraw/zinc/49/79/29/538497929.db2.gz LTRIFHWDFWKLCN-AWEZNQCLSA-N 2 0 270.417 1.192 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)NCC[NH+]2CCCCC2)CC1 ZINC000058458309 357405238 /nfs/dbraw/zinc/40/52/38/357405238.db2.gz FFFDCVCGHUMUEY-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP C[NH+](C)Cc1csc([C@@H]2[NH2+]CCc3nc[nH]c32)c1 ZINC000065370620 357531711 /nfs/dbraw/zinc/53/17/11/357531711.db2.gz LYQROINVBVGBLT-ZDUSSCGKSA-N 2 0 262.382 1.768 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C(N)=O)cc2)[C@H](C)C1 ZINC000081095183 358115043 /nfs/dbraw/zinc/11/50/43/358115043.db2.gz FOBJKPVPCFGJAF-CJNGLKHVSA-N 2 0 289.423 1.948 10 0 CDAERP CC(C)C[C@H](CNC(=O)C[C@H]1CCC[NH2+]C1)[NH+](C)C ZINC000054308745 358712180 /nfs/dbraw/zinc/71/21/80/358712180.db2.gz PLKYYBOAGNXYPQ-ZIAGYGMSSA-N 2 0 269.433 1.469 10 0 CDAERP OCCC1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000569612188 358813249 /nfs/dbraw/zinc/81/32/49/358813249.db2.gz SCEIVZQSSBDTBV-UHFFFAOYSA-N 2 0 274.408 1.927 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[C@@](C)(C[NH3+])C1 ZINC000261887536 359078294 /nfs/dbraw/zinc/07/82/94/359078294.db2.gz VFHWNYAIUUIGNQ-INIZCTEOSA-N 2 0 285.395 1.746 10 0 CDAERP Fc1cccc(F)c1N1CC[C@@H](N[C@H]2CC[NH2+]C2)C1 ZINC000335251190 359112636 /nfs/dbraw/zinc/11/26/36/359112636.db2.gz MXRBDLSWBHTNDV-WDEREUQCSA-N 2 0 267.323 1.495 10 0 CDAERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)C1 ZINC000261993985 359116892 /nfs/dbraw/zinc/11/68/92/359116892.db2.gz TUOOGGNJPOCWRM-FPCVCCKLSA-N 2 0 281.444 1.075 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])CC[N@@H+]1C ZINC000263271533 359252506 /nfs/dbraw/zinc/25/25/06/359252506.db2.gz SGYKKEWXLHUUPQ-HGTKMLMNSA-N 2 0 281.444 1.835 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000347362109 359324854 /nfs/dbraw/zinc/32/48/54/359324854.db2.gz PZUMACVNSFFVOR-HZPDHXFCSA-N 2 0 293.455 1.994 10 0 CDAERP C[NH+](C)CCOc1ccccc1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000237185521 359391833 /nfs/dbraw/zinc/39/18/33/359391833.db2.gz DKVPINZGQUVRPB-AWEZNQCLSA-N 2 0 291.395 1.094 10 0 CDAERP Cn1cncc1C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000115623840 359551350 /nfs/dbraw/zinc/55/13/50/359551350.db2.gz ULHMFRQVYHJLRB-UHFFFAOYSA-N 2 0 276.359 1.911 10 0 CDAERP CN(C)c1ncccc1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000422866282 359663887 /nfs/dbraw/zinc/66/38/87/359663887.db2.gz QBMBCKCFDAPYTC-OCCSQVGLSA-N 2 0 262.401 1.755 10 0 CDAERP O=C(NCc1ccc2c[nH+]cn2c1)C12CCC[NH+]1CCC2 ZINC000297099881 200085007 /nfs/dbraw/zinc/08/50/07/200085007.db2.gz FXEXZXVVXXVJNY-UHFFFAOYSA-N 2 0 284.363 1.579 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H](C)C(=O)NCc1ccccc1 ZINC000422925787 359679065 /nfs/dbraw/zinc/67/90/65/359679065.db2.gz BSQSBPKVOGYMFA-HIFRSBDPSA-N 2 0 293.411 1.035 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H](COC)c1ccccc1 ZINC000422954561 359713739 /nfs/dbraw/zinc/71/37/39/359713739.db2.gz JAKBJPCTVQFNSQ-CABCVRRESA-N 2 0 266.385 1.718 10 0 CDAERP c1ccc([C@@H](C[C@H]2CCOC2)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000423462492 359800893 /nfs/dbraw/zinc/80/08/93/359800893.db2.gz VFQJWHLDTGJFNW-CMZRPVNOSA-N 2 0 272.392 1.962 10 0 CDAERP C[C@@H](N[C@@H]1C[NH2+]CCC1(F)F)c1c[nH+]ccc1N ZINC000423486927 359816109 /nfs/dbraw/zinc/81/61/09/359816109.db2.gz SZEIIBUSNWGXMP-LDYMZIIASA-N 2 0 256.300 1.142 10 0 CDAERP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000335426786 283489466 /nfs/dbraw/zinc/48/94/66/283489466.db2.gz ANNHEIJQEKRDSQ-JKSUJKDBSA-N 2 0 299.418 1.461 10 0 CDAERP CN(C(=O)[C@@H]1C[NH2+]Cc2ccccc21)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000335463029 360215211 /nfs/dbraw/zinc/21/52/11/360215211.db2.gz JWEYOLNRKDZVDQ-NVXWUHKLSA-N 2 0 299.418 1.569 10 0 CDAERP C[C@@H]([NH2+]CCCNCc1cccnc1)C1CC[NH+](C)CC1 ZINC000643498041 360357786 /nfs/dbraw/zinc/35/77/86/360357786.db2.gz LFMBSCBTTRDIAG-OAHLLOKOSA-N 2 0 290.455 1.881 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CC2CC2)CC1 ZINC000156293809 360578843 /nfs/dbraw/zinc/57/88/43/360578843.db2.gz GAWYZHZWMCGETG-OAHLLOKOSA-N 2 0 251.418 1.498 10 0 CDAERP [NH3+]C1(C(=O)N2CCC3(CC[NH2+]3)CC2)CCCCC1 ZINC000335633718 360612193 /nfs/dbraw/zinc/61/21/93/360612193.db2.gz YYTDLAARKNQLGY-UHFFFAOYSA-N 2 0 251.374 1.003 10 0 CDAERP C[C@H]1CC[C@H](NC(=O)NC2CC[NH+](C3CC3)CC2)C[NH2+]1 ZINC000626929316 360647019 /nfs/dbraw/zinc/64/70/19/360647019.db2.gz UFWIYDKSYCKMPG-AAEUAGOBSA-N 2 0 280.416 1.053 10 0 CDAERP COC1(C[C@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)CCC1 ZINC000442880891 360930705 /nfs/dbraw/zinc/93/07/05/360930705.db2.gz ZOHQLUZGJVPGRC-HNNXBMFYSA-N 2 0 297.487 1.950 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366266547 361274151 /nfs/dbraw/zinc/27/41/51/361274151.db2.gz RLLYQYDBZVJODG-ZBFHGGJFSA-N 2 0 296.459 1.454 10 0 CDAERP Cc1nocc1C[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000339182002 361336243 /nfs/dbraw/zinc/33/62/43/361336243.db2.gz RXCASMNBZSCNOH-HNNXBMFYSA-N 2 0 280.416 1.345 10 0 CDAERP Cc1nc(F)ccc1C[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000278323946 366826124 /nfs/dbraw/zinc/82/61/24/366826124.db2.gz FGAZZQWSYBLWCE-GFCCVEGCSA-N 2 0 280.391 1.255 10 0 CDAERP [NH3+]C[C@@H]1CCCN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)C1 ZINC000336601379 363814083 /nfs/dbraw/zinc/81/40/83/363814083.db2.gz WSVPHPSJEOCNLF-ZDUSSCGKSA-N 2 0 287.407 1.186 10 0 CDAERP OCCN1CCCC[C@H]1C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000631634336 363881704 /nfs/dbraw/zinc/88/17/04/363881704.db2.gz IUNFMGJAECMDOY-VGWMRTNUSA-N 2 0 294.439 1.380 10 0 CDAERP CC[NH+](CC)CCN(CCOC)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000167674129 363974880 /nfs/dbraw/zinc/97/48/80/363974880.db2.gz HDAKOUHZDDPWLL-LSDHHAIUSA-N 2 0 299.459 1.321 10 0 CDAERP C[C@@H](NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C1=CC[N@H+](C)CC1 ZINC000417993788 364117569 /nfs/dbraw/zinc/11/75/69/364117569.db2.gz OKUGIKNGVWOMQJ-YUELXQCFSA-N 2 0 292.427 1.173 10 0 CDAERP Cc1cc(NC[C@H](c2cnn(C)c2)[NH+](C)C)cc[nH+]1 ZINC000302226650 364475231 /nfs/dbraw/zinc/47/52/31/364475231.db2.gz SXNLXUFCKPGRSV-CQSZACIVSA-N 2 0 259.357 1.838 10 0 CDAERP CCN1CC[NH+](CCCC[NH2+]C[C@@H](C)COC)CC1 ZINC000187662640 364798710 /nfs/dbraw/zinc/79/87/10/364798710.db2.gz NLHDLVYHBXUASE-OAHLLOKOSA-N 2 0 271.449 1.276 10 0 CDAERP CSC1(C[NH2+]Cc2cnc(C)nc2)CC[NH+](C)CC1 ZINC000353219224 365069747 /nfs/dbraw/zinc/06/97/47/365069747.db2.gz AUHYJNUBZYZZBQ-UHFFFAOYSA-N 2 0 280.441 1.702 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCOCC2CC2)[C@H]2CCC[C@@H]21 ZINC000353405891 365187372 /nfs/dbraw/zinc/18/73/72/365187372.db2.gz SHJLFYSQNSIOGQ-ILXRZTDVSA-N 2 0 252.402 1.875 10 0 CDAERP CC[C@@H](Cn1cncn1)[NH2+]C1CC[NH+](CCCOC)CC1 ZINC000353413544 365190521 /nfs/dbraw/zinc/19/05/21/365190521.db2.gz QAOUIRGYMRGOOQ-AWEZNQCLSA-N 2 0 295.431 1.147 10 0 CDAERP CCNC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000353613053 365333525 /nfs/dbraw/zinc/33/35/25/365333525.db2.gz LOPFQQIPEDASMV-GBJTYRQASA-N 2 0 294.443 1.253 10 0 CDAERP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[C@H]1C[C@H]1C ZINC000414101844 241068390 /nfs/dbraw/zinc/06/83/90/241068390.db2.gz WXSQTGQKJMQVEP-IVCRCZCHSA-N 2 0 266.429 1.998 10 0 CDAERP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)[C@@H]1C[C@H]1C ZINC000414125180 241077398 /nfs/dbraw/zinc/07/73/98/241077398.db2.gz CUZLWKZBSREXFR-HZSPNIEDSA-N 2 0 253.434 1.647 10 0 CDAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCC[C@H]2O)[C@@H](C)C1 ZINC000414141877 241085797 /nfs/dbraw/zinc/08/57/97/241085797.db2.gz HVFPBYABALEHNV-ZJIFWQFVSA-N 2 0 284.444 1.626 10 0 CDAERP CC(C)n1ccc(C[C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)n1 ZINC000414822202 366955874 /nfs/dbraw/zinc/95/58/74/366955874.db2.gz CJYQSLFFZYPQPX-KBPBESRZSA-N 2 0 264.417 1.984 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627042388 367292992 /nfs/dbraw/zinc/29/29/92/367292992.db2.gz ZTCRRMHRHCSQSX-MCIONIFRSA-N 2 0 284.448 1.547 10 0 CDAERP CC(C)C[C@@H](C[NH3+])NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627080152 367378022 /nfs/dbraw/zinc/37/80/22/367378022.db2.gz IXNPDELOVUAOQG-AEGPPILISA-N 2 0 282.432 1.001 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000627113306 367466858 /nfs/dbraw/zinc/46/68/58/367466858.db2.gz VLBXUVXMXXHHPG-REWJHTLYSA-N 2 0 280.416 1.053 10 0 CDAERP C[C@@H](CCCC[NH3+])NC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627093967 367428826 /nfs/dbraw/zinc/42/88/26/367428826.db2.gz VYLZQQINIKAQQP-NWDGAFQWSA-N 2 0 268.405 1.088 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627109383 367457667 /nfs/dbraw/zinc/45/76/67/367457667.db2.gz VVCJYTUBSMUGQK-KBPBESRZSA-N 2 0 284.448 1.404 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000416451197 242011223 /nfs/dbraw/zinc/01/12/23/242011223.db2.gz ZBFLLINLSGGJRF-SRVKXCTJSA-N 2 0 296.440 1.482 10 0 CDAERP CC1CC[NH+](CCNC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)CC1 ZINC000417017273 242270557 /nfs/dbraw/zinc/27/05/57/242270557.db2.gz OUUYONJDOBDKDA-OAHLLOKOSA-N 2 0 294.443 1.254 10 0 CDAERP C[C@@H](NC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)[C@H](C)[NH3+] ZINC000417031562 242280118 /nfs/dbraw/zinc/28/01/18/242280118.db2.gz DTHJSNGUSGPXAM-MELADBBJSA-N 2 0 284.448 1.676 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000627237077 367798578 /nfs/dbraw/zinc/79/85/78/367798578.db2.gz BVRKDNUULDPFGE-MELADBBJSA-N 2 0 280.416 1.007 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000627239487 367803567 /nfs/dbraw/zinc/80/35/67/367803567.db2.gz BVFFDUWHBNGOQU-BFHYXJOUSA-N 2 0 282.432 1.253 10 0 CDAERP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418453409 243097677 /nfs/dbraw/zinc/09/76/77/243097677.db2.gz PEHPPZDCDZFFJZ-SCRDCRAPSA-N 2 0 276.384 1.078 10 0 CDAERP C[C@@H]1[NH2+]CCN(C(=O)NC[C@H]([NH3+])c2ccccc2)[C@H]1C ZINC000418453406 243097903 /nfs/dbraw/zinc/09/79/03/243097903.db2.gz PEHPPZDCDZFFJZ-OBJOEFQTSA-N 2 0 276.384 1.078 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@@H]([NH3+])C2CC2)cc1 ZINC000418466331 243112346 /nfs/dbraw/zinc/11/23/46/243112346.db2.gz RBOQMTWAGUWNAC-IINYFYTJSA-N 2 0 276.384 1.243 10 0 CDAERP C[NH2+]C[C@H]1CCCN1C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000418474879 243122205 /nfs/dbraw/zinc/12/22/05/243122205.db2.gz YSGXHMNIFVXOPW-IUODEOHRSA-N 2 0 290.411 1.600 10 0 CDAERP C[C@@H](C[NH3+])NC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000418565512 243218664 /nfs/dbraw/zinc/21/86/64/243218664.db2.gz LPAGSKPECDQHGV-ZDUSSCGKSA-N 2 0 298.475 1.876 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000418597413 243258110 /nfs/dbraw/zinc/25/81/10/243258110.db2.gz PMTALNVMADTPCU-KBPBESRZSA-N 2 0 284.448 1.214 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000418729274 243383516 /nfs/dbraw/zinc/38/35/16/243383516.db2.gz QWRXRPCLRWVYND-OLZOCXBDSA-N 2 0 284.448 1.486 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000375683474 370907159 /nfs/dbraw/zinc/90/71/59/370907159.db2.gz RUAZNSZLEOEUEE-SLTAFYQDSA-N 2 0 294.443 1.397 10 0 CDAERP CO[C@@H]1CN(Cc2cccc(F)c2)[C@@](C)(C[NH3+])C1 ZINC000630358926 368785651 /nfs/dbraw/zinc/78/56/51/368785651.db2.gz CTRSJUSIHPPMNU-UONOGXRCSA-N 2 0 252.333 1.764 10 0 CDAERP C[N@H+](CC[C@@H]1CC[NH2+]C1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000420310961 244062330 /nfs/dbraw/zinc/06/23/30/244062330.db2.gz VMLXTGXMMWMBAM-GOEBONIOSA-N 2 0 287.407 1.723 10 0 CDAERP [NH3+]CCC[NH+]1CCC(CN2CCCCC2=O)CC1 ZINC000420298809 244047791 /nfs/dbraw/zinc/04/77/91/244047791.db2.gz HWBWUEXIZSUMRZ-UHFFFAOYSA-N 2 0 253.390 1.060 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCNC(=O)C2CCC2)[C@@H]2CCC[C@H]21 ZINC000367616078 369200349 /nfs/dbraw/zinc/20/03/49/369200349.db2.gz NHIDVYKRODWQOE-HRCADAONSA-N 2 0 293.455 1.755 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(c1ncnc3[nH]ccc31)C2 ZINC000630537503 369190639 /nfs/dbraw/zinc/19/06/39/369190639.db2.gz BLDODDPLRMHCMO-OKILXGFUSA-N 2 0 257.341 1.394 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC[NH+]3CCC[C@H]3C2)CC[N@@H+]1C ZINC000368102778 369359395 /nfs/dbraw/zinc/35/93/95/369359395.db2.gz PTGZHSNETQVJIO-KKUMJFAQSA-N 2 0 279.428 1.413 10 0 CDAERP COCCN1CC[C@H]([NH2+]CC[C@@H](O)c2ccccc2)C1 ZINC000289562073 369572745 /nfs/dbraw/zinc/57/27/45/369572745.db2.gz YRZYIRDNLBKROV-JKSUJKDBSA-N 2 0 278.396 1.420 10 0 CDAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CCO[C@H](C3CC3)C2)CC1 ZINC000369202160 369711117 /nfs/dbraw/zinc/71/11/17/369711117.db2.gz GYAIVCSBCJMRBZ-KRWDZBQOSA-N 2 0 295.471 1.513 10 0 CDAERP CO[C@@H](C[NH2+]C[C@H](O)CN1CCCCC1)C1CCCC1 ZINC000638412760 369894056 /nfs/dbraw/zinc/89/40/56/369894056.db2.gz SPUSEVYESIBQNM-HOTGVXAUSA-N 2 0 284.444 1.628 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000248023325 370101436 /nfs/dbraw/zinc/10/14/36/370101436.db2.gz OCZKHEPZUPOHHS-ZNMIVQPWSA-N 2 0 281.444 1.613 10 0 CDAERP CC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@H](CCOC)C1 ZINC000565162298 370364137 /nfs/dbraw/zinc/36/41/37/370364137.db2.gz HUAWXOVNNXSFKJ-CABCVRRESA-N 2 0 272.433 1.438 10 0 CDAERP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc2c(c1)nnn2C ZINC000414935149 370600320 /nfs/dbraw/zinc/60/03/20/370600320.db2.gz AODUTBLINULBKT-JQWIXIFHSA-N 2 0 259.357 1.056 10 0 CDAERP C[C@H](C[NH2+][C@@H](C1CC1)[C@H]1CNCCO1)C[NH+]1CCCC1 ZINC000422724267 245179689 /nfs/dbraw/zinc/17/96/89/245179689.db2.gz VDNFBHUSBMVNDT-BMFZPTHFSA-N 2 0 281.444 1.075 10 0 CDAERP C[N@H+](CCN[C@@H](C1CC1)[C@H]1C[NH2+]CCO1)C1CCCCC1 ZINC000422699500 245157529 /nfs/dbraw/zinc/15/75/29/245157529.db2.gz DJTQDIKJRFBSAG-SJORKVTESA-N 2 0 295.471 1.608 10 0 CDAERP O=C([C@H]1[NH2+]CCc2ccccc21)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000567454668 370995856 /nfs/dbraw/zinc/99/58/56/370995856.db2.gz REPZLWLBZPOYPQ-UXLLHSPISA-N 2 0 299.418 1.331 10 0 CDAERP CC[C@H](C)C[C@@H](C)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000566115622 370613677 /nfs/dbraw/zinc/61/36/77/370613677.db2.gz DYTIUNQPDUOBNQ-RRFJBIMHSA-N 2 0 271.449 1.009 10 0 CDAERP Cc1cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)ccc1-n1cncn1 ZINC000414964347 371094823 /nfs/dbraw/zinc/09/48/23/371094823.db2.gz UWVPGNLECAWLTM-ZFWWWQNUSA-N 2 0 285.395 1.663 10 0 CDAERP C[C@@H](CCC(C)(C)C)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000572993216 371374263 /nfs/dbraw/zinc/37/42/63/371374263.db2.gz SPMIVNIYNGEWQU-GJZGRUSLSA-N 2 0 285.476 1.399 10 0 CDAERP CC[C@@H](Cn1cncn1)[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000340515366 371485950 /nfs/dbraw/zinc/48/59/50/371485950.db2.gz BEXDBMDRLORIIF-CABCVRRESA-N 2 0 279.432 1.911 10 0 CDAERP CC(C)C[C@@H](C[NH3+])NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000573584187 371590212 /nfs/dbraw/zinc/59/02/12/371590212.db2.gz XLRACNQZOPTIBH-ZFWWWQNUSA-N 2 0 282.432 1.145 10 0 CDAERP C[C@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000573739276 371642756 /nfs/dbraw/zinc/64/27/56/371642756.db2.gz IMDQLRYGPLJQFZ-YPMHNXCESA-N 2 0 264.373 1.141 10 0 CDAERP C[C@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000573739274 371643031 /nfs/dbraw/zinc/64/30/31/371643031.db2.gz IMDQLRYGPLJQFZ-DGCLKSJQSA-N 2 0 264.373 1.141 10 0 CDAERP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCNC(=O)c1ccccc1 ZINC000422908892 245393686 /nfs/dbraw/zinc/39/36/86/245393686.db2.gz DUZVGFKJECRUSM-HUUCEWRRSA-N 2 0 275.396 1.524 10 0 CDAERP Cc1cc[nH+]c(NC[C@H]2CCN(Cc3ncnn3C)C2)c1 ZINC000377984117 371780335 /nfs/dbraw/zinc/78/03/35/371780335.db2.gz BPHGJFFPXGLXBB-CYBMUJFWSA-N 2 0 286.383 1.453 10 0 CDAERP C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@H]1C[NH2+]CCC1(F)F ZINC000415005276 372057359 /nfs/dbraw/zinc/05/73/59/372057359.db2.gz RJFURFFXCYYACK-UPJWGTAASA-N 2 0 275.387 1.884 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N(C)CCC[NH3+] ZINC000577942004 372177902 /nfs/dbraw/zinc/17/79/02/372177902.db2.gz JRSQCMSLPXOWMV-CHWSQXEVSA-N 2 0 270.421 1.240 10 0 CDAERP CSCC[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000361728420 372633180 /nfs/dbraw/zinc/63/31/80/372633180.db2.gz OEFWQMWEHGYIMN-KGLIPLIRSA-N 2 0 299.484 1.544 10 0 CDAERP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333138392 205064072 /nfs/dbraw/zinc/06/40/72/205064072.db2.gz CQQSVEWUFWTESN-CABCVRRESA-N 2 0 296.459 1.692 10 0 CDAERP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)CCN(C)c1cc[nH+]cc1 ZINC000541854372 372844173 /nfs/dbraw/zinc/84/41/73/372844173.db2.gz NTVUAILFKRHMEN-ZIAGYGMSSA-N 2 0 290.411 1.459 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000581259338 372905589 /nfs/dbraw/zinc/90/55/89/372905589.db2.gz HGNTZMPGAUEUJO-HNNXBMFYSA-N 2 0 293.455 1.663 10 0 CDAERP COC(=O)[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C[C@@H]1C ZINC000261996940 284364311 /nfs/dbraw/zinc/36/43/11/284364311.db2.gz SXEJWCQEGVAOJR-AAEUAGOBSA-N 2 0 254.374 1.117 10 0 CDAERP CC[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381860782 373003597 /nfs/dbraw/zinc/00/35/97/373003597.db2.gz IVYGTWYVYPKEJQ-HUUCEWRRSA-N 2 0 275.396 1.457 10 0 CDAERP C[NH+]1CCN(C[C@H](O)C[NH2+]CC(C)(C)C(C)(C)C)CC1 ZINC000581880012 373295731 /nfs/dbraw/zinc/29/57/31/373295731.db2.gz LCEFAAQBKJZONV-CQSZACIVSA-N 2 0 285.476 1.257 10 0 CDAERP CC(C)n1ccc(C[C@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)n1 ZINC000341248694 373493409 /nfs/dbraw/zinc/49/34/09/373493409.db2.gz ZTDWPOMFUOKFAD-AWEZNQCLSA-N 2 0 294.443 1.441 10 0 CDAERP CC[NH+](CC)CCCN1CC[N@H+](CCOC)[C@H](C)C1 ZINC000191484204 373498041 /nfs/dbraw/zinc/49/80/41/373498041.db2.gz KWCMYWHWTHGDAK-OAHLLOKOSA-N 2 0 271.449 1.371 10 0 CDAERP Cc1nccn1C[C@H]1CCC[N@@H+]1C[C@@](C)(O)C(F)(F)F ZINC000253396747 373685367 /nfs/dbraw/zinc/68/53/67/373685367.db2.gz NVPKGDYAFLFJOB-VXGBXAGGSA-N 2 0 291.317 1.969 10 0 CDAERP CC[NH2+]CC1CC[NH+]([C@@H]2CCN(C3CCC3)C2=O)CC1 ZINC000631821745 373701273 /nfs/dbraw/zinc/70/12/73/373701273.db2.gz HWFHBXVTPBYSIQ-OAHLLOKOSA-N 2 0 279.428 1.461 10 0 CDAERP O=C(NCCC[C@@H]1CCC[NH2+]1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000418748802 374578313 /nfs/dbraw/zinc/57/83/13/374578313.db2.gz LIEOGHUZILRIEC-LSDHHAIUSA-N 2 0 292.427 1.174 10 0 CDAERP C[N@@H+]1CC[C@@H]2CN(C(=[NH2+])NCc3ccccc3)C[C@@H]2C1 ZINC000306843448 375799126 /nfs/dbraw/zinc/79/91/26/375799126.db2.gz GJNBZAIOWMPYRU-CABCVRRESA-N 2 0 272.396 1.594 10 0 CDAERP C[N@H+]1C[C@@H]2C[NH+](CCCOc3ccccc3)C[C@@H]2C1 ZINC000193604180 375878953 /nfs/dbraw/zinc/87/89/53/375878953.db2.gz LONBEZNECIQSGU-GASCZTMLSA-N 2 0 260.381 1.949 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+](C)C2)CC[N@@H+]1C ZINC000631163103 375981604 /nfs/dbraw/zinc/98/16/04/375981604.db2.gz KKJBRNYTGKIEFS-HZSPNIEDSA-N 2 0 267.417 1.175 10 0 CDAERP Cc1nc(N)nc(N2CC[NH+](C3CCCCC3)CC2)n1 ZINC000631169970 375986585 /nfs/dbraw/zinc/98/65/85/375986585.db2.gz GAXDJQXRLUUQNI-UHFFFAOYSA-N 2 0 276.388 1.047 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@H]1CN1C[C@@H](C)[NH+](CCO)C[C@@H]1C ZINC000419330030 376126482 /nfs/dbraw/zinc/12/64/82/376126482.db2.gz FYBWDZAVAMCYST-IKGGRYGDSA-N 2 0 297.487 1.636 10 0 CDAERP C[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2Cc3ccccc3[C@H]2O)C1 ZINC000245856658 376254889 /nfs/dbraw/zinc/25/48/89/376254889.db2.gz NSHFARILAWURGR-APHBMKBZSA-N 2 0 260.381 1.528 10 0 CDAERP O[C@]1(C(F)(F)F)CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420296056 376322494 /nfs/dbraw/zinc/32/24/94/376322494.db2.gz CYDSSSYVEHDCHP-GHMZBOCLSA-N 2 0 266.307 1.375 10 0 CDAERP C[C@@H]1C[N@H+](Cc2cc3ccccc3[nH]c2=O)C[C@H]1C[NH3+] ZINC000631840172 376689079 /nfs/dbraw/zinc/68/90/79/376689079.db2.gz QIPDKKKOAAAIPN-BXUZGUMPSA-N 2 0 271.364 1.967 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCCOCC[NH+](CC)CC)CC[N@@H+]1C ZINC000632439489 377458857 /nfs/dbraw/zinc/45/88/57/377458857.db2.gz ZEIJNCNPZWQYLW-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP CC1=CCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000436258532 249390410 /nfs/dbraw/zinc/39/04/10/249390410.db2.gz HUVZRNSKAOWSJQ-UHFFFAOYSA-N 2 0 277.412 1.381 10 0 CDAERP CCC[C@H](C(=O)NCC[N@H+](CC)C1CC1)[NH+](C)C ZINC000161990867 377815371 /nfs/dbraw/zinc/81/53/71/377815371.db2.gz LUOFWQHLRKTDHS-CYBMUJFWSA-N 2 0 255.406 1.317 10 0 CDAERP CCC[C@@H](C(=O)NCC[N@H+](C)C1CCCC1)[NH+](C)C ZINC000162023561 377858338 /nfs/dbraw/zinc/85/83/38/377858338.db2.gz KOMIWKGTDBBEQH-AWEZNQCLSA-N 2 0 269.433 1.707 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000193304261 378287888 /nfs/dbraw/zinc/28/78/88/378287888.db2.gz HTTYFWRMYPZARU-QWHCGFSZSA-N 2 0 269.433 1.741 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@]3(CC[NH+](C)C3)C2)CC[N@@H+]1C ZINC000633254834 378258539 /nfs/dbraw/zinc/25/85/39/378258539.db2.gz YBRUFOISPOAMNR-UXLLHSPISA-N 2 0 293.455 1.661 10 0 CDAERP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H]2CCC[C@@H]2[NH3+])C1 ZINC000236901401 284695046 /nfs/dbraw/zinc/69/50/46/284695046.db2.gz XATJOCDLWKDGDC-IHRRRGAJSA-N 2 0 267.417 1.304 10 0 CDAERP CC(C)OC1CC([N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)C1 ZINC000662325268 412896766 /nfs/dbraw/zinc/89/67/66/412896766.db2.gz DMOBKZCKVCILMT-PCKAHOCUSA-N 2 0 284.444 1.985 10 0 CDAERP CC[C@H]1CN(C(=O)NCC2([NH3+])CCCCCC2)CC[C@H]1[NH3+] ZINC000634047469 378987029 /nfs/dbraw/zinc/98/70/29/378987029.db2.gz KWHQVJMJFAMMIW-UONOGXRCSA-N 2 0 296.459 1.807 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000443533734 250038564 /nfs/dbraw/zinc/03/85/64/250038564.db2.gz PUPWZHXNFLODNQ-KGLIPLIRSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000657572723 412904864 /nfs/dbraw/zinc/90/48/64/412904864.db2.gz CSKXGNGIJFAPAW-JYJNAYRXSA-N 2 0 296.503 1.473 10 0 CDAERP Cc1ncc(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)n1C ZINC000657572608 412905547 /nfs/dbraw/zinc/90/55/47/412905547.db2.gz COOPDXCPKLDJTE-ZDUSSCGKSA-N 2 0 281.448 1.090 10 0 CDAERP C[NH+](C)Cc1ccsc1C(=O)N1CCC([NH+](C)C)CC1 ZINC000446912019 250322754 /nfs/dbraw/zinc/32/27/54/250322754.db2.gz WIEDVTLHLYYHNE-UHFFFAOYSA-N 2 0 295.452 1.976 10 0 CDAERP C[C@@H](CCC(F)(F)F)[NH2+]CCOCC[NH+](C)C ZINC000447594333 250392174 /nfs/dbraw/zinc/39/21/74/250392174.db2.gz YGEQJISPBAYTJB-JTQLQIEISA-N 2 0 256.312 1.885 10 0 CDAERP CC(C)[C@H]1CN(C(=O)C[C@H]([NH3+])c2ccccc2)CC[N@@H+]1C ZINC000634300681 379358250 /nfs/dbraw/zinc/35/82/50/379358250.db2.gz HYDGFODZSANVQV-JKSUJKDBSA-N 2 0 289.423 1.875 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](C)C[C@@H](C)O ZINC000344323206 379557575 /nfs/dbraw/zinc/55/75/75/379557575.db2.gz ICNGVAKCTYWWPJ-VXGBXAGGSA-N 2 0 274.368 1.825 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655912800 412916172 /nfs/dbraw/zinc/91/61/72/412916172.db2.gz PVDYDIJOBXBCOA-ZJUUUORDSA-N 2 0 296.337 1.050 10 0 CDAERP CC(C)([NH3+])c1cc(C(=O)NCC2([NH3+])CCCCC2)on1 ZINC000662393977 412954458 /nfs/dbraw/zinc/95/44/58/412954458.db2.gz ZIUIAVNERASHOB-UHFFFAOYSA-N 2 0 280.372 1.260 10 0 CDAERP C[C@H](Cc1ccoc1)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000453104474 252270535 /nfs/dbraw/zinc/27/05/35/252270535.db2.gz UDBPQFAUHRIJPL-OAHLLOKOSA-N 2 0 279.428 1.828 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)N[C@@H](C)C[NH+](C)C)[C@@H](C)C1 ZINC000512441405 254113044 /nfs/dbraw/zinc/11/30/44/254113044.db2.gz NVRBALSFKOKJMQ-MELADBBJSA-N 2 0 284.448 1.308 10 0 CDAERP CC(C)[C@H]([NH3+])CCN(C)C(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662427781 413006509 /nfs/dbraw/zinc/00/65/09/413006509.db2.gz KVKSBAYTBOYYMI-GFCCVEGCSA-N 2 0 267.417 1.480 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000417587046 285198545 /nfs/dbraw/zinc/19/85/45/285198545.db2.gz RRMDKOPQZMTCDA-MCIONIFRSA-N 2 0 282.432 1.158 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](C)[NH+](C)C2CC2)C1 ZINC000246392394 285267581 /nfs/dbraw/zinc/26/75/81/285267581.db2.gz IQWBQYWNMPHYAQ-STQMWFEESA-N 2 0 282.432 1.253 10 0 CDAERP C[NH+](C)CCCC1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000188990149 140105694 /nfs/dbraw/zinc/10/56/94/140105694.db2.gz ZYQBDEVWPXYHQB-UONOGXRCSA-N 2 0 285.407 1.267 10 0 CDAERP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)o1 ZINC000646979486 390330743 /nfs/dbraw/zinc/33/07/43/390330743.db2.gz QXYBMAHUJMLABH-JSGCOSHPSA-N 2 0 293.411 1.849 10 0 CDAERP CC1([NH3+])CCN(C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000646991745 390344692 /nfs/dbraw/zinc/34/46/92/390344692.db2.gz MOUHNJFGJRFSNZ-OLZOCXBDSA-N 2 0 267.417 1.624 10 0 CDAERP [NH3+]C[C@H](C(=O)N[C@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1 ZINC000647055102 390383204 /nfs/dbraw/zinc/38/32/04/390383204.db2.gz LGDSDIXGTPCWNO-KBPBESRZSA-N 2 0 291.370 1.126 10 0 CDAERP COCCN1CCC[C@H]1C[NH2+]CCC(C)(C)C(=O)OC ZINC000354335065 390609434 /nfs/dbraw/zinc/60/94/34/390609434.db2.gz QBXCYTOQCMLPEJ-ZDUSSCGKSA-N 2 0 286.416 1.276 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)[C@]2(O)CCOC2)[C@H]2CCC[C@H]21 ZINC000647341974 390943689 /nfs/dbraw/zinc/94/36/89/390943689.db2.gz FYAQBTHPYSCYAN-DLTWYDFYSA-N 2 0 296.455 1.626 10 0 CDAERP CN(C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000353458455 391022040 /nfs/dbraw/zinc/02/20/40/391022040.db2.gz JPLHMMPLNOVGCL-OWCLPIDISA-N 2 0 291.439 1.317 10 0 CDAERP C[NH+](C)C[C@H]1CCCCN1C(=O)CC[C@H]1CCC[NH2+]1 ZINC000405008808 390968414 /nfs/dbraw/zinc/96/84/14/390968414.db2.gz CHTQVGFVNHSSJF-ZIAGYGMSSA-N 2 0 267.417 1.461 10 0 CDAERP C[C@@H]1C[NH2+]C[C@@H](NCc2ccccc2OCC[NH+](C)C)C1 ZINC000647550158 390994111 /nfs/dbraw/zinc/99/41/11/390994111.db2.gz CRVLEHXAHDAMPE-HOCLYGCPSA-N 2 0 291.439 1.715 10 0 CDAERP CC(C)C(=O)NCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000368609383 391036664 /nfs/dbraw/zinc/03/66/64/391036664.db2.gz XWWRFIIJLVTMLS-MCIONIFRSA-N 2 0 267.417 1.221 10 0 CDAERP CC[C@H](C)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000337304179 391107673 /nfs/dbraw/zinc/10/76/73/391107673.db2.gz RGOFJAYSQNWCNW-ILXRZTDVSA-N 2 0 253.434 1.743 10 0 CDAERP CC(C)C(=O)N1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000647872221 391120699 /nfs/dbraw/zinc/12/06/99/391120699.db2.gz ILPQUZICHHALHL-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C1CC[NH+](C)CC1 ZINC000345498327 391235563 /nfs/dbraw/zinc/23/55/63/391235563.db2.gz ALLUIUXUVONSFC-OKILXGFUSA-N 2 0 281.444 1.707 10 0 CDAERP [NH3+]CCCNC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000418314292 391302047 /nfs/dbraw/zinc/30/20/47/391302047.db2.gz SANIMTKTIPGCLT-UHFFFAOYSA-N 2 0 296.459 1.633 10 0 CDAERP CN(C(=O)NCC[C@@H]1CCC[NH2+]C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000418345955 391348637 /nfs/dbraw/zinc/34/86/37/391348637.db2.gz MAFRUNJIKDLSNN-DZGCQCFKSA-N 2 0 294.443 1.254 10 0 CDAERP CC1CC[NH+](CCN2CCC[N@@H+](C3CC3)CC2)CC1 ZINC000178019219 391355101 /nfs/dbraw/zinc/35/51/01/391355101.db2.gz OTEZSOSIXCUVKT-UHFFFAOYSA-N 2 0 265.445 1.888 10 0 CDAERP CS[C@@H]1CC[C@@H]1[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000425363771 391486057 /nfs/dbraw/zinc/48/60/57/391486057.db2.gz WRKCZOVBCCOVAP-MELADBBJSA-N 2 0 272.458 1.707 10 0 CDAERP CC(C)[NH+]1CCN(CCC[N@H+]2[C@H](C)COC[C@@H]2C)CC1 ZINC000191507053 391448785 /nfs/dbraw/zinc/44/87/85/391448785.db2.gz UTLHHVGMECAQBT-IYBDPMFKSA-N 2 0 283.460 1.512 10 0 CDAERP Cc1c[nH+]ccc1N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000192578435 391455056 /nfs/dbraw/zinc/45/50/56/391455056.db2.gz GMQHMLFDENKNHU-INIZCTEOSA-N 2 0 288.439 1.996 10 0 CDAERP [NH3+]C[C@H](NC(=O)[C@H](C[NH3+])c1ccc(F)cc1)C1CCCC1 ZINC000417823570 391489144 /nfs/dbraw/zinc/48/91/44/391489144.db2.gz AGIVNWPNVHZUJV-CABCVRRESA-N 2 0 293.386 1.502 10 0 CDAERP CN(C)c1ncc(C[NH2+]Cc2ccc(CO)c(F)c2)n1C ZINC000425357506 391484584 /nfs/dbraw/zinc/48/45/84/391484584.db2.gz QECSWYOBYSTSAF-UHFFFAOYSA-N 2 0 292.358 1.407 10 0 CDAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2C[C@@H](C)[C@H]2C)CC1 ZINC000495079184 391504662 /nfs/dbraw/zinc/50/46/62/391504662.db2.gz MXBNYLSPKVUAQM-KLHDSHLOSA-N 2 0 267.461 1.894 10 0 CDAERP C[C@@H]1CN(C)C[C@@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000357354068 391511073 /nfs/dbraw/zinc/51/10/73/391511073.db2.gz MHNQCBLZHHTESE-PBHICJAKSA-N 2 0 288.439 1.838 10 0 CDAERP C[C@@H](NC(=O)N[C@H]1C[NH2+]CC[C@H]1C)C(C)(C)C[NH+](C)C ZINC000417860281 391515207 /nfs/dbraw/zinc/51/52/07/391515207.db2.gz URTJMPPXRPXEGG-UPJWGTAASA-N 2 0 284.448 1.260 10 0 CDAERP C[C@@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)[C@H](C)[NH3+] ZINC000418716833 391532927 /nfs/dbraw/zinc/53/29/27/391532927.db2.gz ZUNUFLDWVPKGNF-QWHCGFSZSA-N 2 0 282.432 1.240 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000417810224 391497116 /nfs/dbraw/zinc/49/71/16/391497116.db2.gz IHJOTBFGVRVRBB-NSHDSACASA-N 2 0 292.374 1.015 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000417547937 391652258 /nfs/dbraw/zinc/65/22/58/391652258.db2.gz HKGCHCGUCIVSJO-KFWWJZLASA-N 2 0 296.459 1.404 10 0 CDAERP C[C@@H](CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)[N@H+](C)C1CC1 ZINC000417550287 391656735 /nfs/dbraw/zinc/65/67/35/391656735.db2.gz KWCKDOPISHVLKL-SMDDNHRTSA-N 2 0 280.416 1.005 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)NCC1([NH+](C)C)CCC1 ZINC000527103406 391677617 /nfs/dbraw/zinc/67/76/17/391677617.db2.gz ZGYGTAHBQSZANX-UHFFFAOYSA-N 2 0 270.421 1.064 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](CC2(CO)COC2)CC1 ZINC000532313140 391782421 /nfs/dbraw/zinc/78/24/21/391782421.db2.gz YTLXQFYHKNDHCY-UHFFFAOYSA-N 2 0 270.417 1.049 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000418197336 391798107 /nfs/dbraw/zinc/79/81/07/391798107.db2.gz JEXOSUAQPSXPJS-IHRRRGAJSA-N 2 0 284.448 1.404 10 0 CDAERP CCc1nccn1[C@@H](C)CC(=O)N[C@H](C[NH3+])CC(C)C ZINC000647811328 391798284 /nfs/dbraw/zinc/79/82/84/391798284.db2.gz NPNPJWOPYMXQQC-STQMWFEESA-N 2 0 280.416 1.886 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000646011700 391900507 /nfs/dbraw/zinc/90/05/07/391900507.db2.gz VRKXWFQZVIOBJK-RBSFLKMASA-N 2 0 281.444 1.850 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)COC1(C)C[NH2+]C1 ZINC000649294907 391912302 /nfs/dbraw/zinc/91/23/02/391912302.db2.gz SATLTQOIPAZULU-CQSZACIVSA-N 2 0 297.443 1.136 10 0 CDAERP CC[C@H](C(=O)NCC[N@@H+]1CCCC[C@H]1C)[NH+](C)C ZINC000248042430 391915607 /nfs/dbraw/zinc/91/56/07/391915607.db2.gz UBSJBWBMOBTVHA-CHWSQXEVSA-N 2 0 255.406 1.317 10 0 CDAERP O=C1[C@H](N2CCC[C@@]3(CC[NH2+]C3)C2)CCN1c1ccccc1 ZINC000334980275 391991129 /nfs/dbraw/zinc/99/11/29/391991129.db2.gz LWOGLZAZIMKLNF-AEFFLSMTSA-N 2 0 299.418 1.867 10 0 CDAERP COC(C)(C)CC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646105903 392014073 /nfs/dbraw/zinc/01/40/73/392014073.db2.gz LABSUYBHDLBNKC-UHFFFAOYSA-N 2 0 270.417 1.598 10 0 CDAERP C[C@@H]1CN(C(=O)NC2CCC(C[NH+](C)C)CC2)[C@@H](C)C[NH2+]1 ZINC000334925024 391978777 /nfs/dbraw/zinc/97/87/77/391978777.db2.gz QWMKVHIVLYIQRF-DNDYEEKYSA-N 2 0 296.459 1.499 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000649354268 392090432 /nfs/dbraw/zinc/09/04/32/392090432.db2.gz VCFUXTFCHFIUDE-OWCLPIDISA-N 2 0 293.455 1.851 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000649354165 392090590 /nfs/dbraw/zinc/09/05/90/392090590.db2.gz MBMHDYNFMBZDPN-AWEZNQCLSA-N 2 0 295.814 1.892 10 0 CDAERP CN(CC[N@H+](C)CCC[C@H]1CCOC1)C1CC[NH+](C)CC1 ZINC000645842166 392253335 /nfs/dbraw/zinc/25/33/35/392253335.db2.gz WRPNQLAOXBDYPH-INIZCTEOSA-N 2 0 297.487 1.761 10 0 CDAERP CC(C)[C@H](O)C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422993716 392274413 /nfs/dbraw/zinc/27/44/13/392274413.db2.gz UASDOAPILQSCQN-AEGPPILISA-N 2 0 250.386 1.551 10 0 CDAERP C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)[C@@H]1CC[NH2+]C1 ZINC000423021373 392279829 /nfs/dbraw/zinc/27/98/29/392279829.db2.gz BVLZAOJKXURKQJ-ZQNQSHIBSA-N 2 0 264.413 1.922 10 0 CDAERP C[C@@H](N[C@@H](C)C[N@H+](C)Cc1ccccc1)C1C[NH2+]C1 ZINC000423024063 392281420 /nfs/dbraw/zinc/28/14/20/392281420.db2.gz INTYJNVPMRUSLG-UONOGXRCSA-N 2 0 261.413 1.704 10 0 CDAERP Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)CCCC[NH3+])C2)n(C)n1 ZINC000423075624 392320279 /nfs/dbraw/zinc/32/02/79/392320279.db2.gz OZNZSWKPXQRZQH-DZGCQCFKSA-N 2 0 293.459 1.804 10 0 CDAERP C[C@H]([NH2+]C[C@H](CO)Cc1ccc(F)c(F)c1)C1C[NH2+]C1 ZINC000423082988 392329826 /nfs/dbraw/zinc/32/98/26/392329826.db2.gz XZEMCPCKIHSJCD-CMPLNLGQSA-N 2 0 284.350 1.313 10 0 CDAERP C([NH2+][C@@H](C1CC1)[C@@H]1CNCCO1)C1CC[NH+](C2CC2)CC1 ZINC000423091718 392336608 /nfs/dbraw/zinc/33/66/08/392336608.db2.gz YJRACUGMUZAZLR-IRXDYDNUSA-N 2 0 293.455 1.217 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)CCCO ZINC000442962719 392354604 /nfs/dbraw/zinc/35/46/04/392354604.db2.gz DMALFYGCNIOQAC-UHFFFAOYSA-N 2 0 260.341 1.390 10 0 CDAERP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000246624422 131095707 /nfs/dbraw/zinc/09/57/07/131095707.db2.gz CCELZASNKHJHNI-HOTGVXAUSA-N 2 0 289.423 1.227 10 0 CDAERP COC[C@](C)(O)CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423145189 392382788 /nfs/dbraw/zinc/38/27/88/392382788.db2.gz JMZUGNVKBKBOAH-GBJTYRQASA-N 2 0 270.417 1.284 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000423143762 392383031 /nfs/dbraw/zinc/38/30/31/392383031.db2.gz XUKNXPGIJJFLRN-GFCCVEGCSA-N 2 0 264.417 1.906 10 0 CDAERP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1=CCOCC1 ZINC000423156805 392395258 /nfs/dbraw/zinc/39/52/58/392395258.db2.gz LPPXKJOBQWYGAN-BBRMVZONSA-N 2 0 260.381 1.881 10 0 CDAERP CCC[NH2+][C@@H](C)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000645889319 392472234 /nfs/dbraw/zinc/47/22/34/392472234.db2.gz CRHSSZZWZQCDFQ-NSHDSACASA-N 2 0 273.340 1.594 10 0 CDAERP COc1ccc([C@@H](NCC(C)(C)[NH3+])[C@H]2CCC[NH2+]2)cc1 ZINC000423287338 392488887 /nfs/dbraw/zinc/48/88/87/392488887.db2.gz LOVHGORACJSRCL-HUUCEWRRSA-N 2 0 277.412 1.815 10 0 CDAERP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)Cc2ccoc2)CC1 ZINC000449079793 392631437 /nfs/dbraw/zinc/63/14/37/392631437.db2.gz QAJKWSOWPBTENE-GJZGRUSLSA-N 2 0 279.428 1.826 10 0 CDAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](C)Cn1cncn1 ZINC000517017684 392813494 /nfs/dbraw/zinc/81/34/94/392813494.db2.gz ZGTXETDKTYBSNV-MCIONIFRSA-N 2 0 265.405 1.567 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](C[C@H](O)CSC)CC1 ZINC000494176309 392947497 /nfs/dbraw/zinc/94/74/97/392947497.db2.gz OJPCJCBEDBXQKL-AWEZNQCLSA-N 2 0 274.474 1.764 10 0 CDAERP O[C@H](C[NH2+][C@H]1CCCC12CC2)C[NH+]1CCCCC1 ZINC000657846366 413055556 /nfs/dbraw/zinc/05/55/56/413055556.db2.gz NKJMTDKUPLPEOT-KGLIPLIRSA-N 2 0 252.402 1.756 10 0 CDAERP C[C@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC[N@@H+]1C ZINC000377748910 393089004 /nfs/dbraw/zinc/08/90/04/393089004.db2.gz UEDOFJGVBNORTC-DRPJVOAASA-N 2 0 293.455 1.563 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)[C@H]1C ZINC000494883835 393121202 /nfs/dbraw/zinc/12/12/02/393121202.db2.gz UDUGYOSQEUJPGT-IPYPFGDCSA-N 2 0 253.434 1.647 10 0 CDAERP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cc2cnccc2o1 ZINC000657887453 413072547 /nfs/dbraw/zinc/07/25/47/413072547.db2.gz MEKOOCVZCBRPDB-GFCCVEGCSA-N 2 0 289.379 1.935 10 0 CDAERP CC(C)(O)C[NH+]1CCN(c2ccccc2C[NH3+])CC1 ZINC000083684534 135030517 /nfs/dbraw/zinc/03/05/17/135030517.db2.gz UIKQJIRXJSEDAD-UHFFFAOYSA-N 2 0 263.385 1.038 10 0 CDAERP C[C@H](CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1)[S@@](C)=O ZINC000229791872 140203872 /nfs/dbraw/zinc/20/38/72/140203872.db2.gz ZHVLDSKAQRZDSV-ZUOKHONESA-N 2 0 295.452 1.797 10 0 CDAERP CC(C)C[C@@H](CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)[NH+](C)C ZINC000232588576 140223259 /nfs/dbraw/zinc/22/32/59/140223259.db2.gz DYYXEXIASVRKHB-IHRRRGAJSA-N 2 0 269.433 1.467 10 0 CDAERP C[C@H]1C[C@@H](N(C)C(=O)C2(C[NH3+])CCCC2)CC[N@@H+]1C ZINC000237527338 140255796 /nfs/dbraw/zinc/25/57/96/140255796.db2.gz SYTOUDBNOZMYMJ-STQMWFEESA-N 2 0 267.417 1.447 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261762521 140386463 /nfs/dbraw/zinc/38/64/63/140386463.db2.gz FIRLZCFCXICPTE-ZFWWWQNUSA-N 2 0 297.443 1.121 10 0 CDAERP c1ccc(CC[N@@H+]2CC[C@H](CNC3=[NH+]CCCN3)C2)cc1 ZINC000261771171 140388064 /nfs/dbraw/zinc/38/80/64/140388064.db2.gz MSPIHYUTFOCFKP-MRXNPFEDSA-N 2 0 286.423 1.490 10 0 CDAERP [NH3+]CCN(CCc1ccccc1)C(=O)c1ccc(C[NH3+])cc1 ZINC000261823401 140393785 /nfs/dbraw/zinc/39/37/85/140393785.db2.gz YFIVYVOFQHMUGU-UHFFFAOYSA-N 2 0 297.402 1.789 10 0 CDAERP COC(C)(C)CC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000346444288 292055558 /nfs/dbraw/zinc/05/55/58/292055558.db2.gz KIBLENBOAOWGMV-RRFJBIMHSA-N 2 0 284.444 1.985 10 0 CDAERP CCCC[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001663619813 1172735812 /nfs/dbraw/zinc/73/58/12/1172735812.db2.gz GHHSNZJIEIECHR-CYBMUJFWSA-N 2 0 255.406 1.176 10 0 CDAERP CO[C@H](C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1)[C@H]1CCOC1 ZINC000660415150 413110400 /nfs/dbraw/zinc/11/04/00/413110400.db2.gz AJORFUDGKXCQLH-RRFJBIMHSA-N 2 0 270.417 1.454 10 0 CDAERP C[C@H]([NH2+][C@H]1CCNC1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000658052132 413155728 /nfs/dbraw/zinc/15/57/28/413155728.db2.gz AUJGWONCQHWROG-WFASDCNBSA-N 2 0 291.395 1.166 10 0 CDAERP CCC[C@H](C(=O)N[C@H](CC(C)C)C[NH+](C)C)[NH+](C)C ZINC000152911267 289150156 /nfs/dbraw/zinc/15/01/56/289150156.db2.gz VAAFSUYFPLZSMQ-ZIAGYGMSSA-N 2 0 271.449 1.809 10 0 CDAERP CO[C@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000658073973 413174097 /nfs/dbraw/zinc/17/40/97/413174097.db2.gz QPQRUAXZBZHSGK-AEGPPILISA-N 2 0 270.417 1.358 10 0 CDAERP CC(C)C[C@H](C)C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685356 397897439 /nfs/dbraw/zinc/89/74/39/397897439.db2.gz YKBPJRBVEZEOIQ-AWEZNQCLSA-N 2 0 269.433 1.374 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000390757013 397979503 /nfs/dbraw/zinc/97/95/03/397979503.db2.gz WXLNBAGSMLQDDU-ZBFHGGJFSA-N 2 0 291.439 1.997 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662619334 413200325 /nfs/dbraw/zinc/20/03/25/413200325.db2.gz KHKBEWCXKAKNNO-NEPJUHHUSA-N 2 0 255.406 1.349 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(C[NH3+])o1 ZINC000094573408 147093461 /nfs/dbraw/zinc/09/34/61/147093461.db2.gz UHIBGTDAZJHJBO-GHMZBOCLSA-N 2 0 263.341 1.047 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000654385478 413208909 /nfs/dbraw/zinc/20/89/09/413208909.db2.gz KIEBMHYITQOLKJ-XGUBFFRZSA-N 2 0 294.443 1.253 10 0 CDAERP CN(CC[NH2+]CC1CC(C)(C)C1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001664018405 1172802042 /nfs/dbraw/zinc/80/20/42/1172802042.db2.gz NMLPJCDGHUDVJL-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP Cc1cc([C@@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)no1 ZINC000658109828 413210983 /nfs/dbraw/zinc/21/09/83/413210983.db2.gz YWAPTHHDNPUJMJ-GXTWGEPZSA-N 2 0 282.432 1.906 10 0 CDAERP C[C@H](Cn1ccnc1)NC(=O)c1cc(-n2ccnc2)ccn1 ZINC000352405023 155165169 /nfs/dbraw/zinc/16/51/69/155165169.db2.gz KMMVPMAKHWBQCL-GFCCVEGCSA-N 2 0 296.334 1.282 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C)[NH+](C)C ZINC000154656221 289213973 /nfs/dbraw/zinc/21/39/73/289213973.db2.gz FGXHNCJIUHHGPY-RWMBFGLXSA-N 2 0 255.406 1.172 10 0 CDAERP CC(C)OCC[NH+]1CCC(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000178849569 148094820 /nfs/dbraw/zinc/09/48/20/148094820.db2.gz VVEKSQUHSXDJMY-KGLIPLIRSA-N 2 0 297.443 1.119 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC2CC[NH+](C3CC3)CC2)C1 ZINC000311004420 149207385 /nfs/dbraw/zinc/20/73/85/149207385.db2.gz NTZWNSSZZDCJTD-CYBMUJFWSA-N 3 0 251.418 1.545 10 0 CDAERP Cc1cccc(NC(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000315028035 149257076 /nfs/dbraw/zinc/25/70/76/149257076.db2.gz ZLXOZCFZWMABFA-GASCZTMLSA-N 2 0 287.407 1.865 10 0 CDAERP CN(C(=O)[C@]1(C)CCC[NH2+]C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000334904560 150057937 /nfs/dbraw/zinc/05/79/37/150057937.db2.gz UWGRBNKOKPCVGN-DZGCQCFKSA-N 2 0 265.401 1.071 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000334910125 150065334 /nfs/dbraw/zinc/06/53/34/150065334.db2.gz XGQNFWFXSSWFCN-KBPBESRZSA-N 2 0 296.459 1.772 10 0 CDAERP CN(CC[NH2+]Cc1cncs1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001664309629 1172838136 /nfs/dbraw/zinc/83/81/36/1172838136.db2.gz XNOKQVIVUGYQQV-LBPRGKRZSA-N 2 0 296.440 1.033 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000335039177 150215267 /nfs/dbraw/zinc/21/52/67/150215267.db2.gz CYVIVDINBOFFOV-MFKMUULPSA-N 2 0 258.325 1.062 10 0 CDAERP CCC[NH2+]CCN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001664392003 1172848295 /nfs/dbraw/zinc/84/82/95/1172848295.db2.gz VYWFDKYNSFATNL-UHFFFAOYSA-N 2 0 277.412 1.820 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]CC1CC1 ZINC001664394954 1172848959 /nfs/dbraw/zinc/84/89/59/1172848959.db2.gz KDZQPWROTCNDGU-AWEZNQCLSA-N 2 0 267.417 1.319 10 0 CDAERP CCC[NH+]1CCC([NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)CC1 ZINC000342806404 151927662 /nfs/dbraw/zinc/92/76/62/151927662.db2.gz QLVXFKRCQRPVHA-CABCVRRESA-N 2 0 286.460 1.608 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCCCNc1ccccn1 ZINC000346290520 153127712 /nfs/dbraw/zinc/12/77/12/153127712.db2.gz SHHYOLSLJACBKR-AWEZNQCLSA-N 2 0 290.411 1.874 10 0 CDAERP COCC[N@@H+]1CC[C@@H](N(CCC[NH3+])c2cccc(F)c2)C1 ZINC000346365138 153156073 /nfs/dbraw/zinc/15/60/73/153156073.db2.gz OIULFLBUXCUAQE-MRXNPFEDSA-N 2 0 295.402 1.702 10 0 CDAERP C[C@H](NC(=O)CC1CC[NH+](C)CC1)C(C)(C)C[NH+](C)C ZINC000347012820 153378972 /nfs/dbraw/zinc/37/89/72/153378972.db2.gz KQDWRPYNYMZORX-ZDUSSCGKSA-N 2 0 283.460 1.811 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(C(C)(C)[NH3+])no2)C1 ZINC000662673504 413288807 /nfs/dbraw/zinc/28/88/07/413288807.db2.gz LPOHSWSLQZEKBN-LLVKDONJSA-N 2 0 294.399 1.425 10 0 CDAERP C[C@@H](CNC(=O)C1([NH2+]C2CC2)CCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000662677887 413296140 /nfs/dbraw/zinc/29/61/40/413296140.db2.gz ANHZQSSLXPVGJW-KBPBESRZSA-N 2 0 293.455 1.898 10 0 CDAERP [NH3+][C@@H](Cc1cn([C@@H]2CC[NH2+]C2)nn1)c1ccccc1 ZINC000656467373 413322572 /nfs/dbraw/zinc/32/25/72/413322572.db2.gz QBNPUOMCIXCAKA-KGLIPLIRSA-N 2 0 257.341 1.055 10 0 CDAERP C[C@H](NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)C(C)(C)C[NH+](C)C ZINC000654482298 413341821 /nfs/dbraw/zinc/34/18/21/413341821.db2.gz HEDJXWGCQIADKX-MELADBBJSA-N 2 0 298.475 1.602 10 0 CDAERP C[NH+](C)[C@H]1CCCN(C(=O)c2cc(C(C)(C)[NH3+])no2)C1 ZINC000662710997 413364154 /nfs/dbraw/zinc/36/41/54/413364154.db2.gz KQYKUQFZADCFLD-JTQLQIEISA-N 2 0 280.372 1.035 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C[C@@H](O)C(F)(F)F)C[C@H]1C ZINC000358969636 158086248 /nfs/dbraw/zinc/08/62/48/158086248.db2.gz IMYBLSPORAJKED-OUAUKWLOSA-N 2 0 268.323 1.714 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000662731216 413395411 /nfs/dbraw/zinc/39/54/11/413395411.db2.gz ZQNMWKAFPZCYST-GXTWGEPZSA-N 2 0 269.433 1.502 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000662732687 413400827 /nfs/dbraw/zinc/40/08/27/413400827.db2.gz MRXXLZCQAXHWDV-FRRDWIJNSA-N 2 0 253.390 1.007 10 0 CDAERP CC(C)([NH3+])CC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000375073596 160342803 /nfs/dbraw/zinc/34/28/03/160342803.db2.gz GMDXADYYBBUKKL-UHFFFAOYSA-N 2 0 265.332 1.537 10 0 CDAERP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654567284 413439031 /nfs/dbraw/zinc/43/90/31/413439031.db2.gz FNYHDZUFMURAGV-MCIONIFRSA-N 2 0 284.448 1.355 10 0 CDAERP C[C@H]1C[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC[N@@H+]1C ZINC000284442978 196055742 /nfs/dbraw/zinc/05/57/42/196055742.db2.gz UYMWXFFMNROGCX-JSGCOSHPSA-N 2 0 286.379 1.889 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000662667973 411818745 /nfs/dbraw/zinc/81/87/45/411818745.db2.gz FKGMRLLERNLRMD-STQMWFEESA-N 2 0 267.417 1.637 10 0 CDAERP CC[N@@H+](Cc1ccccc1)C[C@@H](C)N1CC[NH2+]CC1 ZINC000020179871 171044510 /nfs/dbraw/zinc/04/45/10/171044510.db2.gz GSECDXXWNICFCD-OAHLLOKOSA-N 2 0 261.413 1.802 10 0 CDAERP C[N@@H+]1CCCN([C@@H]2CCc3ccccc3[C@@H]2[NH3+])CC1 ZINC000020260456 171117275 /nfs/dbraw/zinc/11/72/75/171117275.db2.gz JOVPSRWIANHSHG-CVEARBPZSA-N 2 0 259.397 1.639 10 0 CDAERP CC1CCN(C2(C[NH3+])C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000020524085 171237269 /nfs/dbraw/zinc/23/72/69/171237269.db2.gz SXLAYKKRZLYXBF-YIONKMFJSA-N 2 0 251.418 1.672 10 0 CDAERP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NCCC1(C[NH3+])CC1 ZINC000653221450 412148269 /nfs/dbraw/zinc/14/82/69/412148269.db2.gz XKCRGBSPQIXVOG-DGCLKSJQSA-N 2 0 253.390 1.139 10 0 CDAERP CC1(C)CC[NH2+][C@@H]1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000662791998 413509244 /nfs/dbraw/zinc/50/92/44/413509244.db2.gz CRYRVYBOUJEFOJ-JXQTWKCFSA-N 2 0 279.428 1.508 10 0 CDAERP C[NH+](C)CCN(Cc1cccs1)C(=O)CC1([NH3+])CC1 ZINC000662792437 413509522 /nfs/dbraw/zinc/50/95/22/413509522.db2.gz NLNXUUNIWNGMBC-UHFFFAOYSA-N 2 0 281.425 1.520 10 0 CDAERP O=C(C[C@@H]1[NH2+]Cc2ccccc21)NCCC[NH2+]C1CC1 ZINC000662823382 413549443 /nfs/dbraw/zinc/54/94/43/413549443.db2.gz HKWAYEAMABXUOU-HNNXBMFYSA-N 2 0 273.380 1.479 10 0 CDAERP CC(C)=CCCNC(=O)NCCN(C)CCC[NH+](C)C ZINC000664738575 413627553 /nfs/dbraw/zinc/62/75/53/413627553.db2.gz YRTUEUYBEUVZOG-UHFFFAOYSA-N 2 0 284.448 1.525 10 0 CDAERP CN1c2ccccc2C[C@H]([NH2+]C2CCC([NH3+])CC2)C1=O ZINC000656787841 413669548 /nfs/dbraw/zinc/66/95/48/413669548.db2.gz XCYZEGDGXHCWRM-RUXDESIVSA-N 2 0 273.380 1.434 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000659322258 413715721 /nfs/dbraw/zinc/71/57/21/413715721.db2.gz LTQYSNBTOMRUBL-LSDHHAIUSA-N 2 0 293.411 1.335 10 0 CDAERP [NH3+]CC12CC(C1)CN2C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000659490049 413877750 /nfs/dbraw/zinc/87/77/50/413877750.db2.gz NIXGSOGCCBYLSL-UHFFFAOYSA-N 2 0 292.427 1.136 10 0 CDAERP C[NH2+]C[C@@H](C)NC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000659522783 413920413 /nfs/dbraw/zinc/92/04/13/413920413.db2.gz FQRQCHRSSBIPJY-MNOVXSKESA-N 2 0 264.373 1.113 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NCCC2(C[NH3+])CC2)C1 ZINC000659560231 413970161 /nfs/dbraw/zinc/97/01/61/413970161.db2.gz WKTPRBLGGUXCIT-LBPRGKRZSA-N 2 0 282.432 1.287 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCC[C@H]2C[C@H]21 ZINC000665263949 413991224 /nfs/dbraw/zinc/99/12/24/413991224.db2.gz YPBIMGRFOWETEK-SOAFEQHCSA-N 2 0 252.402 1.765 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2C[C@H](C)[C@@H]2C)CC1 ZINC000665288980 414024238 /nfs/dbraw/zinc/02/42/38/414024238.db2.gz CGYUDZXBJMSPSM-KCQAQPDRSA-N 2 0 281.444 1.611 10 0 CDAERP CC[C@@H]1C[C@H]([NH2+]C[C@@H](C)N2CC[NH+](CC)CC2)CO1 ZINC000657309214 414148017 /nfs/dbraw/zinc/14/80/17/414148017.db2.gz BWMSJFZBKPSOGE-QLFBSQMISA-N 2 0 269.433 1.170 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)NCC[NH+]1CC=CCC1 ZINC000665357756 414104483 /nfs/dbraw/zinc/10/44/83/414104483.db2.gz VGTAPIFTLCHHNG-AWEZNQCLSA-N 2 0 294.443 1.420 10 0 CDAERP C[C@@H]1C[C@@H](C)C[NH+](CCN2CC[NH+](C3CC3)CC2)C1 ZINC000659857876 414190694 /nfs/dbraw/zinc/19/06/94/414190694.db2.gz UQLCKVRYVZLSAR-HUUCEWRRSA-N 2 0 265.445 1.744 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)[C@H](C)C1 ZINC000655806280 414197574 /nfs/dbraw/zinc/19/75/74/414197574.db2.gz UGQMSCSIOFTEDR-KBXIAJHMSA-N 3 0 253.434 1.647 10 0 CDAERP CC[C@H](C)[C@@H](O)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657359307 414216325 /nfs/dbraw/zinc/21/63/25/414216325.db2.gz LLWGMMCVEFUJII-WFASDCNBSA-N 2 0 274.368 1.764 10 0 CDAERP CC(C)[NH2+]CCCC(=O)N(C)C1CC[NH+](C)CC1 ZINC000037632599 173581540 /nfs/dbraw/zinc/58/15/40/173581540.db2.gz VTDABYTWIADCIU-UHFFFAOYSA-N 2 0 255.406 1.317 10 0 CDAERP C(c1nc2c(s1)C[NH2+]CC2)N1CCC2(CC[NH2+]C2)CC1 ZINC000663494304 414290104 /nfs/dbraw/zinc/29/01/04/414290104.db2.gz NNVNKENQIUCJJL-UHFFFAOYSA-N 2 0 292.452 1.364 10 0 CDAERP CO[C@@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)C1CC1 ZINC000657474249 414371411 /nfs/dbraw/zinc/37/14/11/414371411.db2.gz DEKOQGVYCMZUDE-HNNXBMFYSA-N 2 0 272.352 1.782 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)CN(C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000659984965 414322692 /nfs/dbraw/zinc/32/26/92/414322692.db2.gz ZJOQZNHRVKPDQY-ZNMIVQPWSA-N 2 0 271.449 1.102 10 0 CDAERP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C1CCC(F)CC1 ZINC000662000225 414466294 /nfs/dbraw/zinc/46/62/94/414466294.db2.gz KPMUXWXMXOTTCD-PPWQZUPISA-N 2 0 272.408 1.950 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000661841734 414399032 /nfs/dbraw/zinc/39/90/32/414399032.db2.gz SKIMRTHKQLVIRQ-MCIONIFRSA-N 2 0 252.402 1.754 10 0 CDAERP C(C[NH+]1CC[C@@H]2COC[C@@H]2C1)C[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662036192 414482036 /nfs/dbraw/zinc/48/20/36/414482036.db2.gz RBNNYPRSDPNSKL-ZYGGUILKSA-N 2 0 294.439 1.313 10 0 CDAERP c1ccc2c(c1)CCC[N@@H+](C[C@@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000662257380 414591310 /nfs/dbraw/zinc/59/13/10/414591310.db2.gz NECILTPHUXHYKK-INIZCTEOSA-N 2 0 272.392 1.956 10 0 CDAERP C([C@@H]1C[NH2+]CCO1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000662262902 414600302 /nfs/dbraw/zinc/60/03/02/414600302.db2.gz YADQJSBOLXHWJM-SJORKVTESA-N 2 0 295.471 1.563 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCO[C@@H]3CC3(F)F)C[C@@H]21 ZINC000662264426 414601017 /nfs/dbraw/zinc/60/10/17/414601017.db2.gz CYNBSLOHVHYYKK-WRWGMCAJSA-N 2 0 260.328 1.470 10 0 CDAERP CCc1nnc([C@@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)[nH]1 ZINC000662272224 414604166 /nfs/dbraw/zinc/60/41/66/414604166.db2.gz CTNKGDWPQLGSJM-UTUOFQBUSA-N 2 0 263.389 1.360 10 0 CDAERP CN(CC(=O)NC(C)(C)C)Cc1cccc2c1CC[NH2+]C2 ZINC000662248658 414583555 /nfs/dbraw/zinc/58/35/55/414583555.db2.gz ITVIJKGKIIQEMZ-UHFFFAOYSA-N 2 0 289.423 1.679 10 0 CDAERP C[NH+](C)CCC[C@H]1C[N@H+](CC2CCOCC2)CCO1 ZINC000662320047 414638716 /nfs/dbraw/zinc/63/87/16/414638716.db2.gz PEMXOFJPEVJSCN-HNNXBMFYSA-N 2 0 270.417 1.456 10 0 CDAERP C[C@@]12COC[C@H]1C[N@H+](CCCC1CC[NH2+]CC1)C2 ZINC000662311615 414631938 /nfs/dbraw/zinc/63/19/38/414631938.db2.gz UXTCRTBBKOQMAQ-HUUCEWRRSA-N 2 0 252.402 1.735 10 0 CDAERP CCC[NH+]1CCC([C@@H](C)[NH2+]C[C@@H]2COCCO2)CC1 ZINC000038060786 174071476 /nfs/dbraw/zinc/07/14/76/174071476.db2.gz PSLBFEWMHIBNTO-UKRRQHHQSA-N 2 0 270.417 1.502 10 0 CDAERP COC(C)(C)C[C@@H](C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508170 174303242 /nfs/dbraw/zinc/30/32/42/174303242.db2.gz HVQSUJVCTCQOMI-ZIAGYGMSSA-N 2 0 297.443 1.086 10 0 CDAERP Cc1ccc([C@H](C)[N@@H+]2CCC[C@@H]2C(=O)N2CC[NH2+]CC2)o1 ZINC000040508154 174303430 /nfs/dbraw/zinc/30/34/30/174303430.db2.gz GISCUTXKGQYCPP-UONOGXRCSA-N 2 0 291.395 1.545 10 0 CDAERP CCC[NH+]1CCC(N2CCC[C@H](C[NH2+]C)C2)CC1 ZINC000040591907 174347865 /nfs/dbraw/zinc/34/78/65/174347865.db2.gz LOVKZFCLFIFQTA-CQSZACIVSA-N 2 0 253.434 1.792 10 0 CDAERP CC(C)Oc1cccc([C@@H](C[NH3+])N2CC[NH+](C)CC2)c1 ZINC000040640863 174364651 /nfs/dbraw/zinc/36/46/51/174364651.db2.gz XAHZTKUAMRAHJE-MRXNPFEDSA-N 2 0 277.412 1.721 10 0 CDAERP C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2C[NH3+])C1 ZINC000040717005 174384560 /nfs/dbraw/zinc/38/45/60/174384560.db2.gz GAKVZPCUUAJZNX-LBPRGKRZSA-N 2 0 261.369 1.816 10 0 CDAERP CCCc1cc(N2CCC[N@H+](CCC[NH3+])CC2)ncn1 ZINC000040765469 174397495 /nfs/dbraw/zinc/39/74/95/174397495.db2.gz RJCBNWFDLZCNAH-UHFFFAOYSA-N 2 0 277.416 1.290 10 0 CDAERP CC[NH+]1CCC(C[NH3+])(N(C)Cc2cscn2)CC1 ZINC000042863600 174893877 /nfs/dbraw/zinc/89/38/77/174893877.db2.gz DPMNQZAWHLKWCN-UHFFFAOYSA-N 2 0 268.430 1.388 10 0 CDAERP CC(C)[NH+]1CCN([C@@H](c2cccnc2)[C@H](C)[NH3+])CC1 ZINC000043346782 175017340 /nfs/dbraw/zinc/01/73/40/175017340.db2.gz FXQQKHGXPBTZBX-DZGCQCFKSA-N 2 0 262.401 1.496 10 0 CDAERP CC[C@H]([NH3+])[C@H](N1CCC[N@H+](C)CC1)C(F)(F)F ZINC000043376792 175030220 /nfs/dbraw/zinc/03/02/20/175030220.db2.gz RRQTUPWRABAPQY-UWVGGRQHSA-N 2 0 253.312 1.292 10 0 CDAERP CCC[NH2+][C@@H]1CCC[C@@H]1N1CC[NH+](CCC)CC1 ZINC000043805620 175107880 /nfs/dbraw/zinc/10/78/80/175107880.db2.gz ZHVZYVXXTOKKBT-CABCVRRESA-N 2 0 253.434 1.935 10 0 CDAERP C[NH2+][C@H]1c2ccc(OC)cc2CC[C@H]1N1CC[NH+](C)CC1 ZINC000043810612 175109346 /nfs/dbraw/zinc/10/93/46/175109346.db2.gz GWHBUCVTZPLUCJ-SJORKVTESA-N 2 0 289.423 1.518 10 0 CDAERP CCOc1ccccc1[C@@H](CN1CCC[N@H+](C)CC1)[NH2+]C ZINC000043818179 175112971 /nfs/dbraw/zinc/11/29/71/175112971.db2.gz SDZAYUSILIXJRW-MRXNPFEDSA-N 2 0 291.439 1.983 10 0 CDAERP CC[NH2+][C@@H](CN1CCC[N@H+](C)CC1)c1ccc(OC)cc1 ZINC000043818374 175113492 /nfs/dbraw/zinc/11/34/92/175113492.db2.gz WZDGRCKWECCMPU-KRWDZBQOSA-N 2 0 291.439 1.983 10 0 CDAERP CC[NH2+][C@@H]1CCC2(C[C@@H]1[N@@H+]1CCC[C@@H]1C)OCCO2 ZINC000043903291 175122844 /nfs/dbraw/zinc/12/28/44/175122844.db2.gz OHNQYUKVRMXMQT-MJBXVCDLSA-N 2 0 268.401 1.744 10 0 CDAERP C[NH2+][C@@H]1c2ccccc2C[C@@H]1N1CC[NH+](C2CC2)CC1 ZINC000043967549 175128457 /nfs/dbraw/zinc/12/84/57/175128457.db2.gz OIUBTBUXKDWHSG-DLBZAZTESA-N 2 0 271.408 1.652 10 0 CDAERP C[NH2+][C@@H](CN1CCC(C[NH+](C)C)CC1)C(C)(C)C ZINC000043970564 175131886 /nfs/dbraw/zinc/13/18/86/175131886.db2.gz OXJNQNZMXNKEEF-AWEZNQCLSA-N 2 0 255.450 1.894 10 0 CDAERP CC[NH2+][C@@H]1CCCC[C@H]1N(CCOC)[C@@H](C)COC ZINC000043975909 175132531 /nfs/dbraw/zinc/13/25/31/175132531.db2.gz YVGRSNSICKHGSS-RRFJBIMHSA-N 2 0 272.433 1.890 10 0 CDAERP CC[NH2+][C@@H](CN(CCOC)[C@@H](C)COC)C(C)(C)C ZINC000043975774 175132736 /nfs/dbraw/zinc/13/27/36/175132736.db2.gz ZBFFKHCPPSYXSG-KBPBESRZSA-N 2 0 274.449 1.994 10 0 CDAERP C[NH+](C)CC1CC[NH+]([C@@H]2COc3ccccc3[C@@H]2O)CC1 ZINC000044169761 175148665 /nfs/dbraw/zinc/14/86/65/175148665.db2.gz RHPRRNVPXYGNRQ-WBVHZDCISA-N 2 0 290.407 1.755 10 0 CDAERP CC[NH+]1CCC(CNC(=O)CCC[NH2+]C(C)C)CC1 ZINC000044526737 175192012 /nfs/dbraw/zinc/19/20/12/175192012.db2.gz FKRSNGDGCWYXNE-UHFFFAOYSA-N 2 0 269.433 1.613 10 0 CDAERP C[C@@H]([NH2+]C[C@@H]1CCCCN1C)C1CC[NH+](C)CC1 ZINC000044561410 175204869 /nfs/dbraw/zinc/20/48/69/175204869.db2.gz QIUKFWQISJNDHX-HIFRSBDPSA-N 2 0 253.434 1.791 10 0 CDAERP CCC[NH2+][C@H]1CCN(C[C@@H]2CCCC[N@@H+]2C)C1=O ZINC000044562919 175205781 /nfs/dbraw/zinc/20/57/81/175205781.db2.gz GUXORHNGIWNICN-STQMWFEESA-N 2 0 253.390 1.071 10 0 CDAERP CCC[NH2+]CC(=O)NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000044651325 175225073 /nfs/dbraw/zinc/22/50/73/175225073.db2.gz LVDPQDYGTMEPCT-CYBMUJFWSA-N 2 0 255.406 1.223 10 0 CDAERP CCCC(C[NH3+])(CCC)C(=O)NCC[NH+](CC)CC ZINC000044793385 175254335 /nfs/dbraw/zinc/25/43/35/175254335.db2.gz YMVBHOMGVVVOBZ-UHFFFAOYSA-N 2 0 271.449 1.990 10 0 CDAERP CC(C)[C@@H](C[NH3+])C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC000044804550 175256401 /nfs/dbraw/zinc/25/64/01/175256401.db2.gz WUKHOENJPKJWPD-GFCCVEGCSA-N 2 0 255.406 1.160 10 0 CDAERP CC[NH2+][C@](C)(CC[NH+]1CCC(C[NH+](C)C)CC1)C(=O)[O-] ZINC000045277072 175346888 /nfs/dbraw/zinc/34/68/88/175346888.db2.gz YVSFLEVPPCJKJB-OAHLLOKOSA-N 2 0 285.432 1.103 10 0 CDAERP CC(C)[NH2+][C@](C)(CCCC[NH+]1CCCCC1)C(N)=O ZINC000045378282 175367509 /nfs/dbraw/zinc/36/75/09/175367509.db2.gz HAZIQVCZXMWKRO-OAHLLOKOSA-N 2 0 269.433 1.885 10 0 CDAERP CC[N@H+](CCC[C@@](C)([NH2+]C1CC1)C(N)=O)C1CC1 ZINC000045386628 175372766 /nfs/dbraw/zinc/37/27/66/175372766.db2.gz ZZLCUWWYDOPWRC-CQSZACIVSA-N 2 0 253.390 1.247 10 0 CDAERP CCC[N@H+](CCCC[C@](C)([NH2+]CC)C(N)=O)C1CC1 ZINC000045387455 175373269 /nfs/dbraw/zinc/37/32/69/175373269.db2.gz QXRXRKRCNCJQEK-HNNXBMFYSA-N 2 0 269.433 1.885 10 0 CDAERP CCC[NH2+][C@@](C)(CCC[N@@H+]1CCOC[C@@H]1CC)C(N)=O ZINC000045419004 175377239 /nfs/dbraw/zinc/37/72/39/175377239.db2.gz KXYTZEWDJSGJCH-ZFWWWQNUSA-N 2 0 285.432 1.121 10 0 CDAERP CC(C)C[NH+](CCC[C@](C)([NH3+])C(N)=O)CC(C)C ZINC000045420413 175378475 /nfs/dbraw/zinc/37/84/75/175378475.db2.gz TXNPKXRZZPFOSZ-AWEZNQCLSA-N 2 0 257.422 1.583 10 0 CDAERP CC[C@@]1(C)C[C@@](C[NH3+])(N(C)CC[NH+]2CCCC2)CCO1 ZINC000070366379 175896000 /nfs/dbraw/zinc/89/60/00/175896000.db2.gz PJEBAJIRGGRRLA-HOTGVXAUSA-N 2 0 283.460 1.691 10 0 CDAERP C[NH2+]C[C@@]1(C[NH+](CC2CC2)CC2CC2)CCOC1 ZINC000070507208 175959440 /nfs/dbraw/zinc/95/94/40/175959440.db2.gz GBWNYSNYQQTUCO-OAHLLOKOSA-N 2 0 252.402 1.735 10 0 CDAERP CCC[NH2+][C@H]1CCCN(CC[NH+]2CCCCC2)C1=O ZINC000071032237 176023185 /nfs/dbraw/zinc/02/31/85/176023185.db2.gz UKEUHADVEWRCSC-AWEZNQCLSA-N 2 0 267.417 1.463 10 0 CDAERP CC[NH+](CC)CCN1CCC[C@H]([NH2+]C2CC2)C1=O ZINC000071035496 176025398 /nfs/dbraw/zinc/02/53/98/176025398.db2.gz UJWPLLIAUZZAQI-ZDUSSCGKSA-N 2 0 253.390 1.071 10 0 CDAERP CC(C)[NH2+][C@H]1CCCN([C@@H](C)CC[NH+](C)C)C1=O ZINC000071037252 176025817 /nfs/dbraw/zinc/02/58/17/176025817.db2.gz WUUBQGTVYHCFIB-STQMWFEESA-N 2 0 255.406 1.316 10 0 CDAERP CC[NH+]1CCC(CN2CCC[C@H]([NH2+]C(C)C)C2=O)CC1 ZINC000071036469 176026192 /nfs/dbraw/zinc/02/61/92/176026192.db2.gz OQNHCQNXQLFHRJ-HNNXBMFYSA-N 2 0 281.444 1.707 10 0 CDAERP C[NH2+][C@H]1CCN(C[C@H](c2cccc(OC)c2)[NH+](C)C)C1=O ZINC000071038309 176027173 /nfs/dbraw/zinc/02/71/73/176027173.db2.gz FBAGTMMUZMRXAU-LSDHHAIUSA-N 2 0 291.395 1.118 10 0 CDAERP [NH3+]CCN1CCC[N@H+](C[C@@H]2OCCc3ccccc32)CC1 ZINC000071044768 176029808 /nfs/dbraw/zinc/02/98/08/176029808.db2.gz FUPSYLKJYPDRNG-KRWDZBQOSA-N 2 0 289.423 1.267 10 0 CDAERP CC[C@@H]1CCC[C@@H]([N@H+](C)CC(=O)N2CC[NH2+]CC2)C1 ZINC000071126302 176036074 /nfs/dbraw/zinc/03/60/74/176036074.db2.gz DBEDPMFKNMVJRB-ZIAGYGMSSA-N 2 0 267.417 1.319 10 0 CDAERP Cc1ccsc1[C@@H](C[NH3+])N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188098 176062373 /nfs/dbraw/zinc/06/23/73/176062373.db2.gz IWPAVMVEVLTFRQ-CHWSQXEVSA-N 2 0 267.442 1.940 10 0 CDAERP CCOc1cccc([C@@H](C[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000071188350 176063002 /nfs/dbraw/zinc/06/30/02/176063002.db2.gz XCRXAOJLQYIFBC-RHSMWYFYSA-N 2 0 291.439 1.969 10 0 CDAERP C[C@H]1CCC[C@@](C[NH3+])(N(C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071188577 176063389 /nfs/dbraw/zinc/06/33/89/176063389.db2.gz WOKYQHIYZKTTQN-RRFJBIMHSA-N 2 0 253.434 1.778 10 0 CDAERP C[NH2+][C@@H](CN(C)C[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000071188688 176064043 /nfs/dbraw/zinc/06/40/43/176064043.db2.gz WMFQGVNPMBWCFE-ZBFHGGJFSA-N 2 0 261.413 1.831 10 0 CDAERP CC[NH2+][C@@H]1CCC[C@H]1CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191304 176069653 /nfs/dbraw/zinc/06/96/53/176069653.db2.gz JBRQRANJQNAGQQ-QLFBSQMISA-N 2 0 253.434 1.648 10 0 CDAERP CC(C)[NH2+]CC(C)(C)CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191510 176070097 /nfs/dbraw/zinc/07/00/97/176070097.db2.gz YSDKTDOKSUJWSU-CQSZACIVSA-N 2 0 255.450 1.894 10 0 CDAERP CC(C)OCCC[NH2+]CCN(C)C[C@H]1CC[N@H+](C)C1 ZINC000071192253 176073528 /nfs/dbraw/zinc/07/35/28/176073528.db2.gz OFJKQCJYCHTUQB-HNNXBMFYSA-N 2 0 271.449 1.275 10 0 CDAERP C[N@H+](CCNC(=O)[C@@](C)([NH3+])C1CC1)C1CCCC1 ZINC000071378702 176143715 /nfs/dbraw/zinc/14/37/15/176143715.db2.gz MKQLOFCBPVXPCK-AWEZNQCLSA-N 2 0 253.390 1.104 10 0 CDAERP C[C@@H]1CC[C@@H](C[NH3+])[C@H](N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000071380504 176144760 /nfs/dbraw/zinc/14/47/60/176144760.db2.gz NSLVAHNXMROGSI-QLFBSQMISA-N 2 0 283.460 1.138 10 0 CDAERP CC[C@H]1CC[C@H](C[NH3+])[C@H](N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000071380452 176145146 /nfs/dbraw/zinc/14/51/46/176145146.db2.gz CLBMEKOCIZZHSH-ARFHVFGLSA-N 2 0 297.487 1.529 10 0 CDAERP CCC[C@](C)(C[NH3+])CN1CC[NH+](CC(C)(C)O)CC1 ZINC000071381798 176145794 /nfs/dbraw/zinc/14/57/94/176145794.db2.gz CKRVXEGOYAUWJE-OAHLLOKOSA-N 2 0 271.449 1.140 10 0 CDAERP Cc1ccc(CN(CC[NH+](C)C)C(=O)C[NH3+])c(C)c1 ZINC000076678752 177056832 /nfs/dbraw/zinc/05/68/32/177056832.db2.gz OLBZAHPSSDWOEC-UHFFFAOYSA-N 2 0 263.385 1.152 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CCF ZINC001666574361 1173155432 /nfs/dbraw/zinc/15/54/32/1173155432.db2.gz XBXVPCRDBJPFDT-KBPBESRZSA-N 2 0 287.423 1.418 10 0 CDAERP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1cn(C)cn1 ZINC000313276699 260275903 /nfs/dbraw/zinc/27/59/03/260275903.db2.gz YWYFLJGZWJSLFW-UONOGXRCSA-N 2 0 264.417 1.863 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C[C@H]2C[NH2+]CCO2)C1 ZINC000662260155 423801573 /nfs/dbraw/zinc/80/15/73/423801573.db2.gz IUOGLYNLXOUVTD-BRWVUGGUSA-N 2 0 295.471 1.561 10 0 CDAERP CCc1nnc([C@H](C)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)[nH]1 ZINC000662272704 423833050 /nfs/dbraw/zinc/83/30/50/423833050.db2.gz GYSNJRKYCTWHCE-NWDGAFQWSA-N 2 0 293.415 1.115 10 0 CDAERP CC[NH+](CC)CC(=O)N1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000653260739 423838851 /nfs/dbraw/zinc/83/88/51/423838851.db2.gz KMHWUDGHZDCGON-RRFJBIMHSA-N 2 0 297.443 1.216 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCCC[NH+]2CCCC2)C1 ZINC000653477617 423840877 /nfs/dbraw/zinc/84/08/77/423840877.db2.gz WLJAPRMMXHENIQ-OKILXGFUSA-N 2 0 282.432 1.112 10 0 CDAERP C[N@@H+](Cc1cccc(C(C)(C)C)c1)C[C@H](O)C[NH3+] ZINC000662275456 423842584 /nfs/dbraw/zinc/84/25/84/423842584.db2.gz ANHQQTSPSKKMKS-CQSZACIVSA-N 2 0 250.386 1.736 10 0 CDAERP C[C@H](C[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1)c1nccs1 ZINC000662276937 423850642 /nfs/dbraw/zinc/85/06/42/423850642.db2.gz AUQHTVDCVCEIIO-VXGBXAGGSA-N 2 0 281.425 1.699 10 0 CDAERP C[C@]12COC[C@@H]1C[N@H+](Cc1ccc3c(c1)C[NH2+]CC3)C2 ZINC000662310087 423943355 /nfs/dbraw/zinc/94/33/55/423943355.db2.gz GZKBIHILDHDZSZ-IRXDYDNUSA-N 2 0 272.392 1.801 10 0 CDAERP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@@H]2CCCCO2)CCO1 ZINC000662316118 423947210 /nfs/dbraw/zinc/94/72/10/423947210.db2.gz IKJITRFXVFWWTA-LSDHHAIUSA-N 2 0 270.417 1.598 10 0 CDAERP C(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1nc2c(s1)C[NH2+]CC2 ZINC000663496419 423890725 /nfs/dbraw/zinc/89/07/25/423890725.db2.gz GDKMAHOGKHHPBV-LLVKDONJSA-N 2 0 292.452 1.553 10 0 CDAERP C[C@@H]1CCC[C@H](CCNC(=O)[C@H](N)CC[NH+](C)C)C1 ZINC000653089966 423920429 /nfs/dbraw/zinc/92/04/29/423920429.db2.gz ZZBJJODORLVHSF-MGPQQGTHSA-N 2 0 269.433 1.598 10 0 CDAERP CCN(C(=O)N[C@@H]1CCC[NH+](C)C1)[C@@H]1CC[N@H+](CC)C1 ZINC000663775603 424003134 /nfs/dbraw/zinc/00/31/34/424003134.db2.gz ZTQXCABMWUDEQL-ZIAGYGMSSA-N 2 0 282.432 1.206 10 0 CDAERP CC[C@@H]([NH2+]C)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000662399014 424037939 /nfs/dbraw/zinc/03/79/39/424037939.db2.gz YDIQDZMEBQSIIW-LSDHHAIUSA-N 2 0 277.412 1.274 10 0 CDAERP [NH3+]CC1(CCNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000652241864 424123456 /nfs/dbraw/zinc/12/34/56/424123456.db2.gz CUALECAXKUWFQC-CQSZACIVSA-N 2 0 294.443 1.385 10 0 CDAERP CC[C@H]([NH2+]C)C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000662512942 424148151 /nfs/dbraw/zinc/14/81/51/424148151.db2.gz UKVQRICKXCASSG-HIFRSBDPSA-N 2 0 277.412 1.621 10 0 CDAERP CC(C)[NH2+]C[C@H](C)N(C)C(=O)CCCC[NH+](C)C ZINC001667034399 1173225805 /nfs/dbraw/zinc/22/58/05/1173225805.db2.gz VNFSPKSVRXRBFB-ZDUSSCGKSA-N 2 0 257.422 1.563 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@@H+](CCN2C[C@H](C)[NH+](CCO)C[C@H]2C)C1 ZINC000660824995 424256657 /nfs/dbraw/zinc/25/66/57/424256657.db2.gz RTQVLYHFPWDRJS-TWMKSMIVSA-N 2 0 297.487 1.351 10 0 CDAERP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000660835076 424280179 /nfs/dbraw/zinc/28/01/79/424280179.db2.gz CZFBNYAVTSMIBO-LSDHHAIUSA-N 2 0 296.459 1.500 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)C1 ZINC000653122864 424316239 /nfs/dbraw/zinc/31/62/39/424316239.db2.gz GEMOQEDFQOOJGG-CWRNSKLLSA-N 2 0 293.455 1.707 10 0 CDAERP Cc1cnn(CC[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000652363917 424318797 /nfs/dbraw/zinc/31/87/97/424318797.db2.gz RXLGCXYXFHEUKY-ARFHVFGLSA-N 2 0 292.427 1.552 10 0 CDAERP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)[C@H]1CCC[NH2+]1 ZINC000662689605 424321821 /nfs/dbraw/zinc/32/18/21/424321821.db2.gz WXZLRSSFHGCTNB-ZIAGYGMSSA-N 2 0 275.352 1.038 10 0 CDAERP C[C@@H]1CC[C@H]([NH2+]CCCN2CC[NH+](C)CC2)CS1 ZINC000655693654 424406845 /nfs/dbraw/zinc/40/68/45/424406845.db2.gz GHTMGWZLTSNJEF-KGLIPLIRSA-N 2 0 271.474 1.498 10 0 CDAERP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655489640 424506735 /nfs/dbraw/zinc/50/67/35/424506735.db2.gz XKZNMPDEPDRVKQ-FRRDWIJNSA-N 2 0 269.433 1.467 10 0 CDAERP C(C1CCOCC1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000052174660 424513191 /nfs/dbraw/zinc/51/31/91/424513191.db2.gz GMNGTCHZFGBGDA-CABCVRRESA-N 2 0 252.402 1.877 10 0 CDAERP COC[C@H](CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)OC ZINC000665234770 424467259 /nfs/dbraw/zinc/46/72/59/424467259.db2.gz KACVIZCTOQYVIH-ZJIFWQFVSA-N 2 0 284.444 1.938 10 0 CDAERP C[C@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1)N1CC[NH+](C)CC1 ZINC000527654576 270713144 /nfs/dbraw/zinc/71/31/44/270713144.db2.gz RZQBYSIRUUTASW-VRKREXBASA-N 2 0 265.445 1.647 10 0 CDAERP C[NH+]1CCC(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]CCCF)CC1 ZINC001667750350 1173320245 /nfs/dbraw/zinc/32/02/45/1173320245.db2.gz BJVTYYZSXWATJO-CABCVRRESA-N 2 0 299.434 1.562 10 0 CDAERP OC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)Cc2ccccc2C1 ZINC000372205436 275044857 /nfs/dbraw/zinc/04/48/57/275044857.db2.gz UMSOBZJQHRBDOA-SJORKVTESA-N 2 0 286.419 1.733 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+]1CCCC[C@H]1C ZINC000349116473 276259141 /nfs/dbraw/zinc/25/91/41/276259141.db2.gz GXVZMJPCWFMUCZ-HUUCEWRRSA-N 2 0 281.444 1.851 10 0 CDAERP COCCN1CC[C@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)C1 ZINC000459778595 277227138 /nfs/dbraw/zinc/22/71/38/277227138.db2.gz LDRFIDOQEPEKPL-CABCVRRESA-N 2 0 269.433 1.029 10 0 CDAERP COC(=O)[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000245564260 277347297 /nfs/dbraw/zinc/34/72/97/277347297.db2.gz DHGUGLPVUIGVOX-CHWSQXEVSA-N 2 0 254.374 1.356 10 0 CDAERP C[C@H](C(=O)N1CCC[NH+](C2CC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245200829 278138493 /nfs/dbraw/zinc/13/84/93/278138493.db2.gz CZHPXKIZDKRLDC-QLFBSQMISA-N 2 0 293.455 1.944 10 0 CDAERP C[C@@H]1CC[NH2+][C@@H](C(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000335029918 278567917 /nfs/dbraw/zinc/56/79/17/278567917.db2.gz LBSIACMTUFNUJV-XSCHDIRWSA-N 2 0 279.428 1.508 10 0 CDAERP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1CCN(C(N)=O)CC1 ZINC000037200916 279100708 /nfs/dbraw/zinc/10/07/08/279100708.db2.gz CVLNAZRWJBGSOW-CYBMUJFWSA-N 2 0 284.448 1.630 10 0 CDAERP CC[NH+](CC)CCNC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000341455700 279106405 /nfs/dbraw/zinc/10/64/05/279106405.db2.gz DXORFHJAVIREOD-GASCZTMLSA-N 2 0 298.475 1.890 10 0 CDAERP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000418596316 279180752 /nfs/dbraw/zinc/18/07/52/279180752.db2.gz OSQNVQUXFJCAKS-LSDHHAIUSA-N 2 0 296.459 1.502 10 0 CDAERP C[C@H](CN1CCCC1=O)[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353393866 279299291 /nfs/dbraw/zinc/29/92/91/279299291.db2.gz KJOXSGVCYUFZJG-LXTVHRRPSA-N 2 0 279.428 1.460 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)N2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000119010920 279352089 /nfs/dbraw/zinc/35/20/89/279352089.db2.gz NQCJWQOUUGKZED-YMAMQOFZSA-N 2 0 296.459 1.452 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000418201380 279378369 /nfs/dbraw/zinc/37/83/69/279378369.db2.gz RNXXJIBYIDEURJ-MELADBBJSA-N 2 0 282.432 1.109 10 0 CDAERP C[C@H]([NH3+])CC(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000261687146 279394678 /nfs/dbraw/zinc/39/46/78/279394678.db2.gz DSBOGKIHGVJLBH-MELADBBJSA-N 2 0 297.443 1.072 10 0 CDAERP CCCCOC[C@H](O)C[N@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000248646096 280370324 /nfs/dbraw/zinc/37/03/24/280370324.db2.gz HDCBQQGAWASNAJ-RRFJBIMHSA-N 2 0 272.433 1.579 10 0 CDAERP CCC([NH3+])(CC)CNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000515811203 280911211 /nfs/dbraw/zinc/91/12/11/280911211.db2.gz ZCJNWZUJGDCPQV-CQSZACIVSA-N 2 0 282.432 1.289 10 0 CDAERP C[C@@H](C[NH2+]C1CCC(C[NH+](C)C)CC1)S(C)(=O)=O ZINC000519638034 281034457 /nfs/dbraw/zinc/03/44/57/281034457.db2.gz LGCRSONWRAJWRS-HIFPTAJRSA-N 2 0 276.446 1.130 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000519815669 281042912 /nfs/dbraw/zinc/04/29/12/281042912.db2.gz WUSVYKVJSSIUFQ-IGQOVBAYSA-N 2 0 280.416 1.040 10 0 CDAERP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000519815676 281042918 /nfs/dbraw/zinc/04/29/18/281042918.db2.gz WUSVYKVJSSIUFQ-YIYPIFLZSA-N 2 0 280.416 1.040 10 0 CDAERP CC(C)(C)[C@H](O)C[C@H](CO)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000521899182 281076798 /nfs/dbraw/zinc/07/67/98/281076798.db2.gz MPGIDKLRSUYCPC-YVECIDJPSA-N 2 0 258.406 1.004 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CC1(C[NH3+])CCCCC1 ZINC000248862271 288307769 /nfs/dbraw/zinc/30/77/69/288307769.db2.gz GMYUWSBRPCEHDI-CABCVRRESA-N 2 0 293.455 1.981 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000540928676 289470130 /nfs/dbraw/zinc/47/01/30/289470130.db2.gz VDHCVJJAKDUYKZ-CYBMUJFWSA-N 2 0 278.400 1.364 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)c1c[nH+]ccc1N(C)C ZINC000273588593 289472859 /nfs/dbraw/zinc/47/28/59/289472859.db2.gz ISWWPUUBLYENHN-LLVKDONJSA-N 2 0 264.373 1.218 10 0 CDAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C[NH+]1CCCC1 ZINC000553334640 290113366 /nfs/dbraw/zinc/11/33/66/290113366.db2.gz XLCNAAQGURGBNQ-ZIAGYGMSSA-N 2 0 267.417 1.176 10 0 CDAERP CC(C)[NH+](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)C(C)C ZINC000561062741 293046357 /nfs/dbraw/zinc/04/63/57/293046357.db2.gz SXKDLJRAGJXJNH-AWEZNQCLSA-N 2 0 269.433 1.563 10 0 CDAERP [NH3+]C1(CNC(=O)N2CC[NH+]3CCC2CC3)CCCCC1 ZINC000561207782 293063280 /nfs/dbraw/zinc/06/32/80/293063280.db2.gz OOAYYVSHLYRHJC-UHFFFAOYSA-N 2 0 280.416 1.138 10 0 CDAERP C[NH2+]C1CCN(C(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000568879092 294117496 /nfs/dbraw/zinc/11/74/96/294117496.db2.gz UFGQHVGTFAVMES-AWEZNQCLSA-N 2 0 279.359 1.078 10 0 CDAERP CCC[N@@H+]1CC[C@H](CN[C@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000570832409 294319162 /nfs/dbraw/zinc/31/91/62/294319162.db2.gz RTVIZOBSTYWLBL-RBSFLKMASA-N 2 0 253.434 1.696 10 0 CDAERP COC[C@]1(c2nc(-c3ccc(C[NH3+])cc3)no2)CC[NH2+]C1 ZINC000572362592 294607712 /nfs/dbraw/zinc/60/77/12/294607712.db2.gz SNRUDZDJYLTDLJ-HNNXBMFYSA-N 2 0 288.351 1.073 10 0 CDAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)[C@H](C)O)cn2)CC1 ZINC000572834591 294699588 /nfs/dbraw/zinc/69/95/88/294699588.db2.gz RPHURLOQFRTZQX-KGLIPLIRSA-N 2 0 292.427 1.082 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000574178707 294960798 /nfs/dbraw/zinc/96/07/98/294960798.db2.gz FBNQOIYNRLEQQB-WLYUNCDWSA-N 2 0 296.459 1.406 10 0 CDAERP [NH3+]C1(C(=O)NC2CC([NH+]3CCCCC3)C2)CCCC1 ZINC000335032429 295202361 /nfs/dbraw/zinc/20/23/61/295202361.db2.gz YBFHWXJTKTXAST-UHFFFAOYSA-N 2 0 265.401 1.391 10 0 CDAERP COc1ccc([C@@H](C[NH3+])CN2CC[C@H]([NH3+])[C@@H]2C)cc1 ZINC000420352943 295212884 /nfs/dbraw/zinc/21/28/84/295212884.db2.gz NDNBHZGTFAUQPP-WHOFXGATSA-N 2 0 263.385 1.159 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000089457971 295271369 /nfs/dbraw/zinc/27/13/69/295271369.db2.gz BEGUXCGPDHNWER-GDBMZVCRSA-N 2 0 293.455 1.838 10 0 CDAERP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000261905760 297397730 /nfs/dbraw/zinc/39/77/30/297397730.db2.gz XGLLSFWOWPKFEZ-KSTCHIGDSA-N 2 0 265.401 1.103 10 0 CDAERP C[C@H](CC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)C1CC[NH2+]CC1 ZINC000334751974 298291663 /nfs/dbraw/zinc/29/16/63/298291663.db2.gz PSRXRMDBBCJHGU-RHSMWYFYSA-N 2 0 293.455 1.614 10 0 CDAERP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C1CC[NH2+]CC1 ZINC000251900640 300310347 /nfs/dbraw/zinc/31/03/47/300310347.db2.gz WIZKGRFRFHGVNU-JSGCOSHPSA-N 2 0 265.401 1.071 10 0 CDAERP C[C@H](C[NH2+]CCCF)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001669424293 1173548407 /nfs/dbraw/zinc/54/84/07/1173548407.db2.gz FOKTUAGIMODWID-CYBMUJFWSA-N 2 0 295.402 1.816 10 0 CDAERP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000334930419 303420239 /nfs/dbraw/zinc/42/02/39/303420239.db2.gz QORRXGKPTFVLKK-KGLIPLIRSA-N 2 0 294.443 1.289 10 0 CDAERP [NH3+]Cc1ccc2c(c1)CCCN2C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261977440 303432552 /nfs/dbraw/zinc/43/25/52/303432552.db2.gz OANUVSXYIIWPBH-HUUCEWRRSA-N 2 0 287.407 1.800 10 0 CDAERP CCC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001671564495 1173689896 /nfs/dbraw/zinc/68/98/96/1173689896.db2.gz QCDOKUICKMDLEI-LSDHHAIUSA-N 2 0 281.444 1.613 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CCCF)C1 ZINC001671719834 1173707511 /nfs/dbraw/zinc/70/75/11/1173707511.db2.gz OUKPOXDSYBIZLM-DZGCQCFKSA-N 2 0 285.407 1.268 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1CC[NH3+] ZINC000563340358 316257434 /nfs/dbraw/zinc/25/74/34/316257434.db2.gz ZNSIUKIVZKOPFZ-OAHLLOKOSA-N 2 0 289.423 1.792 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)CC[C@@H]2CCCC[N@@H+]2C)CC[NH2+]1 ZINC000563623477 316345056 /nfs/dbraw/zinc/34/50/56/316345056.db2.gz LNBDAOQHUFMEPR-RDBSUJKOSA-N 2 0 267.417 1.508 10 0 CDAERP CC[C@@H](C(=O)N1CC[C@]2(C1)CCC[NH2+]C2)[NH+](CC)CC ZINC000564216068 316435968 /nfs/dbraw/zinc/43/59/68/316435968.db2.gz YYLMAQZTBSWHIT-GOEBONIOSA-N 2 0 281.444 1.709 10 0 CDAERP CSC[C@H](O)C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000566117820 316481788 /nfs/dbraw/zinc/48/17/88/316481788.db2.gz UVGKGOCWRYGBAR-CYBMUJFWSA-N 2 0 286.416 1.701 10 0 CDAERP CCC[C@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)C1CCCC1 ZINC000566120889 316483502 /nfs/dbraw/zinc/48/35/02/316483502.db2.gz RDFKEBSMWMXZJS-SJORKVTESA-N 2 0 297.487 1.543 10 0 CDAERP [NH3+][C@@H]1CN(C(=O)C[NH2+]C2CC2)CC[C@H]1c1ccc(F)cc1 ZINC000569803359 316850696 /nfs/dbraw/zinc/85/06/96/316850696.db2.gz OWWDYSLSOCXMJB-LSDHHAIUSA-N 2 0 291.370 1.221 10 0 CDAERP Cc1cc(C)n2c(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cnc2n1 ZINC000575059964 316950345 /nfs/dbraw/zinc/95/03/45/316950345.db2.gz PVXFOHPBBJKPSF-ZJUUUORDSA-N 2 0 261.373 1.562 10 0 CDAERP [NH3+][C@H]1CCCCC[C@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000575914956 317037095 /nfs/dbraw/zinc/03/70/95/317037095.db2.gz ZOTFHHRYQDJMQO-SJJHQCBESA-N 3 0 294.487 1.452 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)[C@@H]2CC[NH2+][C@@H]2C)CC1 ZINC000577509830 317346483 /nfs/dbraw/zinc/34/64/83/317346483.db2.gz LZPIFZALLRCESM-TZMCWYRMSA-N 2 0 267.417 1.223 10 0 CDAERP CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]CCC2CC2)C1)[NH+](C)C ZINC001672897321 1173807048 /nfs/dbraw/zinc/80/70/48/1173807048.db2.gz PQPCGEDERWFEMW-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP O=C(C[C@@H]1CSCC[NH2+]1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000578533523 323960896 /nfs/dbraw/zinc/96/08/96/323960896.db2.gz QWEKHRMPUKZIKR-MJBXVCDLSA-N 2 0 297.468 1.072 10 0 CDAERP C[C@H]([NH3+])[C@H]1CCCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000579228112 324133528 /nfs/dbraw/zinc/13/35/28/324133528.db2.gz XLNHZIVKAATKBO-KKUMJFAQSA-N 2 0 281.444 1.837 10 0 CDAERP CNC(=O)[C@@H](C)C[N@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000583569741 325201610 /nfs/dbraw/zinc/20/16/10/325201610.db2.gz LVRWUADWHLPXBB-LBPRGKRZSA-N 2 0 275.396 1.146 10 0 CDAERP CC(C)OCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001725591350 1159257973 /nfs/dbraw/zinc/25/79/73/1159257973.db2.gz LUYGQHRVSGSTBE-LSDHHAIUSA-N 2 0 297.443 1.086 10 0 CDAERP CC(C)[NH2+]C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC000167919653 1159287308 /nfs/dbraw/zinc/28/73/08/1159287308.db2.gz KVSCQNXOZRZWCG-CYBMUJFWSA-N 2 0 255.406 1.175 10 0 CDAERP CC(C)CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001731679938 1159327116 /nfs/dbraw/zinc/32/71/16/1159327116.db2.gz CYOFEAGNCLUPHM-HZPDHXFCSA-N 2 0 295.471 1.812 10 0 CDAERP CC(C)=CC[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001670784305 1159792808 /nfs/dbraw/zinc/79/28/08/1159792808.db2.gz KVZWQEPJIAFJHU-OAHLLOKOSA-N 2 0 291.439 1.533 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCF ZINC001270112274 1160090310 /nfs/dbraw/zinc/09/03/10/1160090310.db2.gz DIINMBNGYKQQME-OLZOCXBDSA-N 2 0 271.380 1.021 10 0 CDAERP CC(C)[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]C[C@H]1CCCCO1 ZINC001482554133 1160387521 /nfs/dbraw/zinc/38/75/21/1160387521.db2.gz JFJRBGBDDTVMGH-HUUCEWRRSA-N 2 0 299.459 1.238 10 0 CDAERP C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)C1(CO)CCC1 ZINC000668802361 482335822 /nfs/dbraw/zinc/33/58/22/482335822.db2.gz UDOHMEIAZFHTFL-UHFFFAOYSA-N 2 0 272.352 1.614 10 0 CDAERP [NH3+]CC1(CCNC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000652130781 482443657 /nfs/dbraw/zinc/44/36/57/482443657.db2.gz ZJCGSTZUKQEADS-STQMWFEESA-N 2 0 280.416 1.041 10 0 CDAERP C[C@H]1C[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)c2ncnn21 ZINC000668469338 482448630 /nfs/dbraw/zinc/44/86/30/482448630.db2.gz UTQSUGTULBBVAE-WFASDCNBSA-N 2 0 298.394 1.938 10 0 CDAERP C[NH+]1CCC(CCNC(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000157931993 482511509 /nfs/dbraw/zinc/51/15/09/482511509.db2.gz FWZYKLBYGYFICI-KBPBESRZSA-N 2 0 267.417 1.210 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000669509723 482514974 /nfs/dbraw/zinc/51/49/74/482514974.db2.gz PLFUUUJJEYOSMQ-NEPJUHHUSA-N 2 0 253.390 1.023 10 0 CDAERP CCO[C@H]1C[C@@H]([NH2+]CC2([NH3+])CCOCC2)C1(C)C ZINC000233769700 482568363 /nfs/dbraw/zinc/56/83/63/482568363.db2.gz MRGIOHJMTWATOJ-NEPJUHHUSA-N 2 0 256.390 1.288 10 0 CDAERP C[N@H+](CCNC(=O)c1ccc(C[NH3+])o1)C1CCCCC1 ZINC000237147224 482637436 /nfs/dbraw/zinc/63/74/36/482637436.db2.gz DXHXFLGWIJWVEA-UHFFFAOYSA-N 2 0 279.384 1.733 10 0 CDAERP CC(C)[C@@H](C(=O)N1CC[C@]2(C1)CCC[NH2+]C2)[NH+](C)C ZINC000334207117 482710212 /nfs/dbraw/zinc/71/02/12/482710212.db2.gz DQKANMBMDVIOGZ-DZGCQCFKSA-N 2 0 267.417 1.175 10 0 CDAERP CO[C@@H]1CCC[C@@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)C1 ZINC000684366897 482775725 /nfs/dbraw/zinc/77/57/25/482775725.db2.gz GPHJCAIZCKFROV-HZPDHXFCSA-N 2 0 283.460 1.560 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000228492833 482854444 /nfs/dbraw/zinc/85/44/44/482854444.db2.gz YEUXBHIKFSPUET-YNEHKIRRSA-N 2 0 253.390 1.055 10 0 CDAERP CN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000261721048 482921049 /nfs/dbraw/zinc/92/10/49/482921049.db2.gz KDGPSFTUPJWBBK-KWCYVHTRSA-N 2 0 265.401 1.057 10 0 CDAERP C([C@H]1CCOC1)[NH+]1CCC([NH2+][C@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667872821 482943904 /nfs/dbraw/zinc/94/39/04/482943904.db2.gz KWHYNBCDDNDDJI-XYPHTWIQSA-N 2 0 294.439 1.644 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000252571409 483115371 /nfs/dbraw/zinc/11/53/71/483115371.db2.gz BHKTWAULLYPDPU-MCIONIFRSA-N 2 0 267.417 1.304 10 0 CDAERP CC[C@H]([NH2+]Cc1ccnn1-c1cc[nH+]cc1)[C@H](C)O ZINC000668218637 483128650 /nfs/dbraw/zinc/12/86/50/483128650.db2.gz RFGRGLAKCRDCEW-FZMZJTMJSA-N 2 0 260.341 1.516 10 0 CDAERP C[NH+](C)C[C@@H](NC(=O)C[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000089746542 483129798 /nfs/dbraw/zinc/12/97/98/483129798.db2.gz ODOYMKYVEHDGMY-DZGCQCFKSA-N 2 0 275.396 1.405 10 0 CDAERP C[C@@H](O)CC[N@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667649324 483364725 /nfs/dbraw/zinc/36/47/25/483364725.db2.gz PWSFOXBITOLRKJ-GFCCVEGCSA-N 2 0 260.341 1.470 10 0 CDAERP CC[C@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@@H]1O ZINC000667710805 483393943 /nfs/dbraw/zinc/39/39/43/483393943.db2.gz PCKLGCRLJOUXLK-WFASDCNBSA-N 2 0 272.352 1.470 10 0 CDAERP CN1CC[NH+](CCCC[NH2+][C@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667783770 483425552 /nfs/dbraw/zinc/42/55/52/483425552.db2.gz ZJQDGYLDRLBLIU-HZPDHXFCSA-N 2 0 281.444 1.171 10 0 CDAERP C[NH+](C)C1CN(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000680468507 483629276 /nfs/dbraw/zinc/62/92/76/483629276.db2.gz YBJVUZWHKHAICR-UHFFFAOYSA-N 2 0 286.339 1.045 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)N1CCC(C[NH+](C)C)CC1 ZINC000052515210 519744569 /nfs/dbraw/zinc/74/45/69/519744569.db2.gz CRILADVNJLXCCT-CQSZACIVSA-N 2 0 255.450 1.894 10 0 CDAERP CC(C)[C@@H](CN(C)C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C)C1 ZINC000049197535 519793779 /nfs/dbraw/zinc/79/37/79/519793779.db2.gz VWSVAOHISRIQHZ-RRFJBIMHSA-N 2 0 255.450 1.893 10 0 CDAERP CC(C)[C@H](C[NH2+]C1CC1)N(C)C1CC[NH+](C)CC1 ZINC000052419752 519815821 /nfs/dbraw/zinc/81/58/21/519815821.db2.gz OMOKUDCVFFQMNZ-HNNXBMFYSA-N 2 0 253.434 1.789 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000061296981 519905061 /nfs/dbraw/zinc/90/50/61/519905061.db2.gz XJVDEPYDJMAHKZ-ZDUSSCGKSA-N 2 0 269.433 1.613 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@@H](C[N@@H+]2CCCSCC2)O1 ZINC000052371151 519925383 /nfs/dbraw/zinc/92/53/83/519925383.db2.gz HOJFVJZZWZJGKL-KBPBESRZSA-N 2 0 272.458 1.973 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)Cc2cccnc2)O1 ZINC000052479518 519951492 /nfs/dbraw/zinc/95/14/92/519951492.db2.gz KNOSKXMXOPLXEK-GJZGRUSLSA-N 2 0 263.385 1.671 10 0 CDAERP CCC[NH2+]Cc1cnc(CC[NH+](CC)CC)nc1 ZINC000054855901 519961460 /nfs/dbraw/zinc/96/14/60/519961460.db2.gz BEXBGDBXTBVLHQ-UHFFFAOYSA-N 2 0 250.390 1.861 10 0 CDAERP CCCC[NH2+][C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001713316809 1178492547 /nfs/dbraw/zinc/49/25/47/1178492547.db2.gz ZSCOBTMZFZIAHW-ZIAGYGMSSA-N 2 0 269.433 1.755 10 0 CDAERP C[C@H]1C[N@H+](CCOCCOc2ccccc2)CC[C@@H]1C[NH3+] ZINC000923499994 1161545002 /nfs/dbraw/zinc/54/50/02/1161545002.db2.gz PUAQVKRIZXNHMZ-JKSUJKDBSA-N 2 0 292.423 1.999 10 0 CDAERP C[NH2+]C[C@H]1CC[C@@H](C[N@H+](CCOC)[C@@H](C)C2CC2)O1 ZINC000052545441 522093099 /nfs/dbraw/zinc/09/30/99/522093099.db2.gz MSMQQEOJJHESDG-CFVMTHIKSA-N 2 0 270.417 1.500 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)C[NH2+]C2CCCC2)CC1 ZINC000055078150 522108418 /nfs/dbraw/zinc/10/84/18/522108418.db2.gz NUNQLVJSMCBWLG-CYBMUJFWSA-N 2 0 267.417 1.461 10 0 CDAERP CC[C@@H](C)[NH+]1CCN([C@@H](C)C[NH2+]CCCOC)CC1 ZINC000055075286 522129997 /nfs/dbraw/zinc/12/99/97/522129997.db2.gz UZZQWRLTBXEIJS-CABCVRRESA-N 2 0 271.449 1.417 10 0 CDAERP C[NH2+][C@@H](C)CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062051816 522320988 /nfs/dbraw/zinc/32/09/88/522320988.db2.gz NZVIENQVVCZQKR-AWEZNQCLSA-N 3 0 253.434 1.792 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001724244149 1181656949 /nfs/dbraw/zinc/65/69/49/1181656949.db2.gz KDXBQOMHVYJHKA-DZGCQCFKSA-N 2 0 287.423 1.514 10 0 CDAERP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261608436 535520094 /nfs/dbraw/zinc/52/00/94/535520094.db2.gz AWXFTZJKQNIQME-UKRRQHHQSA-N 2 0 299.459 1.367 10 0 CDAERP C(CNC[C@@H]1CC[N@@H+](C2CC2)C1)C[NH+]1CCCC1 ZINC000049332528 518391920 /nfs/dbraw/zinc/39/19/20/518391920.db2.gz LAGVRXAIZIUFKF-AWEZNQCLSA-N 2 0 251.418 1.546 10 0 CDAERP CC(C)(C)[NH+]1CCN(C(=O)CC[C@H]2CCCC[NH2+]2)CC1 ZINC000050950948 518709173 /nfs/dbraw/zinc/70/91/73/518709173.db2.gz NCVVFHRFCOPVTG-CQSZACIVSA-N 2 0 281.444 1.851 10 0 CDAERP CC(C)(C)[C@@H]([NH3+])CCN1CC[C@H]([NH+]2CCCC2)C1 ZINC000062970558 518922229 /nfs/dbraw/zinc/92/22/29/518922229.db2.gz RALRCDKKFSJBFI-KBPBESRZSA-N 2 0 253.434 1.920 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)[C@@H]1CCC[C@H](C[NH3+])C1 ZINC000055161472 519715592 /nfs/dbraw/zinc/71/55/92/519715592.db2.gz OVAPPYSUMWSFPX-LSDHHAIUSA-N 2 0 283.460 1.798 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000055132161 519724536 /nfs/dbraw/zinc/72/45/36/519724536.db2.gz QLAHFXPIZJAVQW-ZNMIVQPWSA-N 2 0 281.444 1.550 10 0 CDAERP CC(C)[NH2+]C[C@H]1CC[C@H](COC2CC[NH+](C)CC2)O1 ZINC000052596875 519725602 /nfs/dbraw/zinc/72/56/02/519725602.db2.gz HKRKPYKFKWDYKF-HUUCEWRRSA-N 2 0 270.417 1.643 10 0 CDAERP CC(C)[NH2+]C[C@H]1CC[C@@H](COCCC[NH+](C)C)O1 ZINC000052672644 519725867 /nfs/dbraw/zinc/72/58/67/519725867.db2.gz CGPZDRTXTVILNE-KGLIPLIRSA-N 2 0 258.406 1.500 10 0 CDAERP CC(C)C[NH+]1CCN(C[C@@H]2CC[C@@H](C[NH2+]C(C)C)O2)CC1 ZINC000055082821 519726624 /nfs/dbraw/zinc/72/66/24/519726624.db2.gz JEDRPNYOMRANCE-IRXDYDNUSA-N 2 0 297.487 1.806 10 0 CDAERP CC(C)C[NH2+]Cc1cccc(N2CC[C@H]([NH+](C)C)C2)n1 ZINC000062971191 519747401 /nfs/dbraw/zinc/74/74/01/519747401.db2.gz DNSPHUTUDOJXCK-HNNXBMFYSA-N 2 0 276.428 1.968 10 0 CDAERP CC(C)[C@@H](C[NH2+]C1CC1)N(C)C1CC[NH+](C)CC1 ZINC000052419751 519794882 /nfs/dbraw/zinc/79/48/82/519794882.db2.gz OMOKUDCVFFQMNZ-OAHLLOKOSA-N 2 0 253.434 1.789 10 0 CDAERP CCC[NH+]1CCN(C(=O)C[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000055124592 519855785 /nfs/dbraw/zinc/85/57/85/519855785.db2.gz YOIVOLSEDWOODM-ZIAGYGMSSA-N 2 0 267.417 1.448 10 0 CDAERP CCC[NH+]1CCN(C[C@@H]2CC[C@H](C[NH2+]C(C)(C)C)O2)CC1 ZINC000052422045 519858493 /nfs/dbraw/zinc/85/84/93/519858493.db2.gz UFDLTEZQEOHTKW-CVEARBPZSA-N 2 0 297.487 1.950 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000061298713 519904971 /nfs/dbraw/zinc/90/49/71/519904971.db2.gz WFSPLTRVPXWGHC-UHFFFAOYSA-N 2 0 269.433 1.613 10 0 CDAERP CCC[NH2+]CC1(C[N@H+](C)CCCOC)CCOCC1 ZINC000062035647 519909712 /nfs/dbraw/zinc/90/97/12/519909712.db2.gz YCKSSGDVDZIBPI-UHFFFAOYSA-N 2 0 272.433 1.751 10 0 CDAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)CC[NH+](C)C ZINC000054629718 519910868 /nfs/dbraw/zinc/91/08/68/519910868.db2.gz QUOZHUWXHGYSLY-AVOUXACISA-N 2 0 253.434 1.932 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@@H](C[N@H+]2C[C@@H](C)O[C@@H](C)C2)O1 ZINC000052380810 519938826 /nfs/dbraw/zinc/93/88/26/519938826.db2.gz CRWYDKFWYDDJGA-BARDWOONSA-N 2 0 270.417 1.643 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)CCc2ccccn2)O1 ZINC000052423962 519952034 /nfs/dbraw/zinc/95/20/34/519952034.db2.gz WKCJBZGFSRAWKS-HOTGVXAUSA-N 2 0 277.412 1.713 10 0 CDAERP CC[NH2+]Cc1c(C)nn(C)c1N1CC[NH+]([C@H](C)CC)CC1 ZINC000055068730 519983501 /nfs/dbraw/zinc/98/35/01/519983501.db2.gz RMZIFJHYMJNFMM-CYBMUJFWSA-N 2 0 293.459 1.759 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)N1CC[NH+](CCC(C)C)CC1 ZINC000061272702 520164384 /nfs/dbraw/zinc/16/43/84/520164384.db2.gz NZNWQSGFINAHRL-CQSZACIVSA-N 2 0 269.433 1.565 10 0 CDAERP CC[NH2+][C@H]1CCCCC[C@@H]1N1CCN(CC[NH+](C)C)CC1 ZINC000061644021 520214466 /nfs/dbraw/zinc/21/44/66/520214466.db2.gz ZFDVTYMVAQJQEG-IRXDYDNUSA-N 2 0 296.503 1.476 10 0 CDAERP CC[NH2+][C@](C)(C[C@H](C)N(C)C1CC[NH+](CC)CC1)C(N)=O ZINC000068635128 520238027 /nfs/dbraw/zinc/23/80/27/520238027.db2.gz INFQRFLUEMWITI-XJKSGUPXSA-N 2 0 298.475 1.035 10 0 CDAERP CCCO[C@H]1CCC[N@H+](Cc2ccnc(C(N)=[NH2+])c2)C1 ZINC000068761527 520285053 /nfs/dbraw/zinc/28/50/53/520285053.db2.gz PTUHDASCCAUOAL-ZDUSSCGKSA-N 2 0 276.384 1.757 10 0 CDAERP CCO[C@@H]1CCC[N@H+](Cc2ccnc(C(N)=[NH2+])c2)C1 ZINC000068761530 520319031 /nfs/dbraw/zinc/31/90/31/520319031.db2.gz PERXPHSZLLCARF-GFCCVEGCSA-N 2 0 262.357 1.367 10 0 CDAERP CCCC[N@H+](C)CCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000052417993 520410569 /nfs/dbraw/zinc/41/05/69/520410569.db2.gz TULBEZPNENNJGV-UHFFFAOYSA-N 2 0 267.421 1.898 10 0 CDAERP CC[NH+](CC)CCC[C@H](C)[NH2+]CC(=O)N(C)C1CC1 ZINC000049304506 520637382 /nfs/dbraw/zinc/63/73/82/520637382.db2.gz KKVRGHYHBFHXJE-ZDUSSCGKSA-N 2 0 269.433 1.707 10 0 CDAERP CCC(CC)[C@@H](CNC(=O)[C@@H](C)C[NH2+]C)[NH+]1CCCC1 ZINC000236663939 521605304 /nfs/dbraw/zinc/60/53/04/521605304.db2.gz NQXKYKRJGHUDBH-DZGCQCFKSA-N 2 0 283.460 1.859 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@@H]1CCC[C@H]([NH3+])[C@@H]1C ZINC000055139748 521654329 /nfs/dbraw/zinc/65/43/29/521654329.db2.gz NFVXMHIKIRDDCG-MCIONIFRSA-N 2 0 269.433 1.550 10 0 CDAERP C[NH+](C)CCN1CCN(C(=[NH2+])Nc2ccccc2)CC1 ZINC000061652365 521762295 /nfs/dbraw/zinc/76/22/95/521762295.db2.gz FPSQZTFZMMBBKU-UHFFFAOYSA-N 2 0 275.400 1.212 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)CCCCCC[NH3+] ZINC000061645046 521830159 /nfs/dbraw/zinc/83/01/59/521830159.db2.gz WGVJQSSNSOHFHE-ZDUSSCGKSA-N 2 0 255.406 1.448 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1c1nc2ccccn2c1C[NH3+] ZINC000061646085 521845087 /nfs/dbraw/zinc/84/50/87/521845087.db2.gz XLWVCVLKPYGQMR-LBPRGKRZSA-N 2 0 273.384 1.323 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1CC(=O)Nc1cccc(C[NH3+])c1 ZINC000061642611 521866660 /nfs/dbraw/zinc/86/66/60/521866660.db2.gz QOKBQCMAMIEFBX-OAHLLOKOSA-N 2 0 290.411 1.110 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1Cc1csc(C[NH2+]C2CC2)n1 ZINC000061654732 521871041 /nfs/dbraw/zinc/87/10/41/521871041.db2.gz LNUHWTPEZHRGME-CQSZACIVSA-N 2 0 294.468 1.921 10 0 CDAERP C[NH2+]C(C)(C)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000061317760 521935370 /nfs/dbraw/zinc/93/53/70/521935370.db2.gz QEXZHRCZHDMTBS-UHFFFAOYSA-N 2 0 269.433 1.755 10 0 CDAERP COCC[C@H]([NH3+])C(=O)Nc1cc(C[NH+](C)C)ccc1OC ZINC000052792112 521944133 /nfs/dbraw/zinc/94/41/33/521944133.db2.gz AVWLWJDBTWLJSE-LBPRGKRZSA-N 2 0 295.383 1.059 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCn1cc(C[NH2+]CC(C)C)nn1 ZINC000052444180 522064266 /nfs/dbraw/zinc/06/42/66/522064266.db2.gz CWMATLADBUJTCZ-CYBMUJFWSA-N 2 0 267.421 1.754 10 0 CDAERP C[NH2+]C[C@H]1CC[C@@H](C[NH+]2CCC(COC)CC2)O1 ZINC000070082932 522094467 /nfs/dbraw/zinc/09/44/67/522094467.db2.gz NXVBAHDCJOUJPH-KGLIPLIRSA-N 2 0 256.390 1.112 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)CCCCC[NH3+])CC1 ZINC000055077903 522109118 /nfs/dbraw/zinc/10/91/18/522109118.db2.gz PCHLIYDJEMCPAD-CYBMUJFWSA-N 2 0 255.406 1.448 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000055083486 522120144 /nfs/dbraw/zinc/12/01/44/522120144.db2.gz NZJAZDQQRIYHRD-WBVHZDCISA-N 2 0 275.440 1.973 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(Cc2csc(C[NH3+])n2)CC1 ZINC000055074194 522127052 /nfs/dbraw/zinc/12/70/52/522127052.db2.gz RUQSATCZGXEZFI-LLVKDONJSA-N 2 0 268.430 1.518 10 0 CDAERP C[NH2+]Cc1cccc(OCCOCC[NH+](C)C)c1 ZINC000052669665 522133897 /nfs/dbraw/zinc/13/38/97/522133897.db2.gz OVHHUJGOOCTJOA-UHFFFAOYSA-N 2 0 252.358 1.363 10 0 CDAERP C[NH2+]Cc1occc1C[N@H+](C)C[C@@H]1CCCCO1 ZINC000052507351 522165790 /nfs/dbraw/zinc/16/57/90/522165790.db2.gz SQLRTXXZKXCSQD-ZDUSSCGKSA-N 2 0 252.358 2.000 10 0 CDAERP CC[C@H](C[NH2+]C)N1CC[NH+](Cc2ccccc2)CC1 ZINC000052417093 522191448 /nfs/dbraw/zinc/19/14/48/522191448.db2.gz DKFVLDPQGMVABP-MRXNPFEDSA-N 2 0 261.413 1.802 10 0 CDAERP CC[C@H]([NH3+])[C@@H](N1CCC[C@@H]1C[NH+](C)C)C(F)(F)F ZINC000061642251 522337509 /nfs/dbraw/zinc/33/75/09/522337509.db2.gz ITMIIJFFCBPHDE-OUAUKWLOSA-N 2 0 267.339 1.681 10 0 CDAERP C[NH2+][C@@H](CN1CCC[C@@H]1C[NH+](C)C)c1ccccc1OC ZINC000061643422 522354258 /nfs/dbraw/zinc/35/42/58/522354258.db2.gz JAFJKLWUYCGXLT-ZBFHGGJFSA-N 2 0 291.439 1.982 10 0 CDAERP C[N@H+](CCCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1)C1CCCCC1 ZINC000227805495 522766293 /nfs/dbraw/zinc/76/62/93/522766293.db2.gz XWFDUTVCLFLERM-ZIAGYGMSSA-N 2 0 281.444 1.885 10 0 CDAERP CN(Cc1[nH+]c(NN)ccc1Cl)[C@H]1CCC[N@H+](C)C1 ZINC000061639120 523557751 /nfs/dbraw/zinc/55/77/51/523557751.db2.gz CGTYLNHCDAMXCW-JTQLQIEISA-N 2 0 283.807 1.547 10 0 CDAERP COCC[NH+](CCOC)C[C@@H]1CC[C@@H](C[NH2+]C(C)C)O1 ZINC000052571491 523715458 /nfs/dbraw/zinc/71/54/58/523715458.db2.gz CRNCSQHZULAWOX-GJZGRUSLSA-N 2 0 288.432 1.127 10 0 CDAERP COCC[N@H+](Cc1cc(C)c(C[NH3+])o1)[C@@H](C)COC ZINC000052572372 523741050 /nfs/dbraw/zinc/74/10/50/523741050.db2.gz IQIXWCMNRZUYLC-LBPRGKRZSA-N 2 0 270.373 1.530 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)CC[C@@H]2CCCC[NH2+]2)C1 ZINC000050949734 523817415 /nfs/dbraw/zinc/81/74/15/523817415.db2.gz SFOVJCQESCKHEV-QWHCGFSZSA-N 2 0 253.390 1.119 10 0 CDAERP C[N@@H+]1CCN(C[C@@H](CO)[NH2+]C2CC2)[C@H](c2ccccc2)C1 ZINC000070339379 523904779 /nfs/dbraw/zinc/90/47/79/523904779.db2.gz VAQRWTSOWDRKAN-IRXDYDNUSA-N 2 0 289.423 1.088 10 0 CDAERP CC[C@H](C)[NH+]1CCN(Cc2ccc(C[NH3+])o2)CC1 ZINC000055073635 523956612 /nfs/dbraw/zinc/95/66/12/523956612.db2.gz VPFKIOBGVIFUMN-LBPRGKRZSA-N 2 0 251.374 1.654 10 0 CDAERP C[NH+](C)CCCOCc1ccc(C[NH2+]C2CC2)o1 ZINC000052672364 524058153 /nfs/dbraw/zinc/05/81/53/524058153.db2.gz YFAALKOIWGNCMP-UHFFFAOYSA-N 2 0 252.358 2.000 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)CC1CCC([NH3+])CC1 ZINC000055141894 524327430 /nfs/dbraw/zinc/32/74/30/524327430.db2.gz FHEIKUSUQUQGPL-WLYUNCDWSA-N 2 0 281.444 1.885 10 0 CDAERP C[C@H]1CC[C@H](C(=O)N(C)C2CC[NH+](C)CC2)C[C@@H]1[NH3+] ZINC000055123243 524376951 /nfs/dbraw/zinc/37/69/51/524376951.db2.gz DOVKLEFTIMNWRZ-OBJOEFQTSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@H]1CC[C@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)O1 ZINC000154612172 524379121 /nfs/dbraw/zinc/37/91/21/524379121.db2.gz YAJQXSKJKPQSSA-LSDHHAIUSA-N 2 0 299.459 1.286 10 0 CDAERP C[C@@H](C[NH+]1CCCC1)NC(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050951143 524589099 /nfs/dbraw/zinc/58/90/99/524589099.db2.gz UQVFGZGTSBLIAH-KBPBESRZSA-N 2 0 267.417 1.509 10 0 CDAERP C[C@@H]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH+](C)C)C[C@@H]1[NH3+] ZINC000061656174 524631125 /nfs/dbraw/zinc/63/11/25/524631125.db2.gz XKJUTQBIHMOEBO-RQJABVFESA-N 2 0 267.417 1.303 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCCCC[NH+](C)C)CC[C@@H]1[NH3+] ZINC000055138937 524770270 /nfs/dbraw/zinc/77/02/70/524770270.db2.gz LMVFEQMHMHURRV-AVGNSLFASA-N 2 0 255.406 1.208 10 0 CDAERP C[C@@H]([NH3+])c1ccc(S(=O)(=O)N[C@H](C)CC[NH+](C)C)cc1 ZINC000049560570 525031197 /nfs/dbraw/zinc/03/11/97/525031197.db2.gz QLHHLWOTWQLDTD-VXGBXAGGSA-N 2 0 299.440 1.325 10 0 CDAERP CSC1(C[NH2+]Cc2cncnc2)CC[NH+](C)CC1 ZINC000353186970 525333741 /nfs/dbraw/zinc/33/37/41/525333741.db2.gz FIQSQGKXQWYAPS-UHFFFAOYSA-N 2 0 266.414 1.394 10 0 CDAERP C[C@@H]1C[C@H](C(=O)N2CCC([NH+](C)C)CC2)CC[C@@H]1[NH3+] ZINC000055128190 525358743 /nfs/dbraw/zinc/35/87/43/525358743.db2.gz AZONKGHUNFIMAJ-BZPMIXESSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@@H]1C[C@H](C(=O)NCC(C)(C)C[NH+](C)C)CC[C@@H]1[NH3+] ZINC000055125286 525360799 /nfs/dbraw/zinc/36/07/99/525360799.db2.gz SCNVIJVYJXIQRN-UPJWGTAASA-N 2 0 269.433 1.454 10 0 CDAERP C[C@H](O)C[N@H+](C)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052198281 525739090 /nfs/dbraw/zinc/73/90/90/525739090.db2.gz YVGLWNGOFKXRNE-ZDUSSCGKSA-N 2 0 272.433 1.484 10 0 CDAERP O=C(CC[C@H]1CCCC[NH2+]1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000050947793 526564270 /nfs/dbraw/zinc/56/42/70/526564270.db2.gz IAUZDYCTGBRHPN-CVEARBPZSA-N 2 0 293.455 1.996 10 0 CDAERP C[NH2+]Cc1ccccc1NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000415912674 536470257 /nfs/dbraw/zinc/47/02/57/536470257.db2.gz MLBVARCRTABGRH-ZDUSSCGKSA-N 2 0 276.384 1.622 10 0 CDAERP NC(=O)CC1CC[NH+]([C@@H](CC[NH3+])c2ccccc2)CC1 ZINC000055017036 527190845 /nfs/dbraw/zinc/19/08/45/527190845.db2.gz HOKNSRTXGBYOFE-HNNXBMFYSA-N 2 0 275.396 1.664 10 0 CDAERP Cn1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cn1 ZINC000157586587 527197088 /nfs/dbraw/zinc/19/70/88/527197088.db2.gz BNLMNQNOQUADLV-UHFFFAOYSA-N 2 0 262.401 1.728 10 0 CDAERP NNc1cc(CN2CC[NH+](C3CCCC3)CC2)cc[nH+]1 ZINC000052725287 527274531 /nfs/dbraw/zinc/27/45/31/527274531.db2.gz NJRQPARTASESTE-UHFFFAOYSA-N 2 0 275.400 1.427 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000250213000 535566264 /nfs/dbraw/zinc/56/62/64/535566264.db2.gz CVIOJPJTBGGAJB-YJNKXOJESA-N 2 0 279.428 1.508 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)[C@@H]2C[C@@H]2C)CC1 ZINC000414066080 535741432 /nfs/dbraw/zinc/74/14/32/535741432.db2.gz PDQZIZFNSMAGMG-GBJTYRQASA-N 2 0 253.434 1.647 10 0 CDAERP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000250359532 536110425 /nfs/dbraw/zinc/11/04/25/536110425.db2.gz DUQXBKHPRUTSLJ-UPJWGTAASA-N 2 0 267.417 1.364 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCc1ccccc1OC ZINC000230286111 536850237 /nfs/dbraw/zinc/85/02/37/536850237.db2.gz DRVGNFXZXUYXBG-AWEZNQCLSA-N 2 0 266.385 1.581 10 0 CDAERP C[C@@H](CO)C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000120754215 538259459 /nfs/dbraw/zinc/25/94/59/538259459.db2.gz FALJUAUTCCJZIV-OAGGEKHMSA-N 2 0 283.460 1.105 10 0 CDAERP NC(=O)CC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000309684966 538823168 /nfs/dbraw/zinc/82/31/68/538823168.db2.gz BJJASPNFHGWCMI-HRCADAONSA-N 2 0 287.407 1.362 10 0 CDAERP Cc1nn(C)c2sc([C@@H]3C[C@H](C[NH3+])CC[NH2+]3)cc12 ZINC000757215029 574907492 /nfs/dbraw/zinc/90/74/92/574907492.db2.gz MXNKQOGDTLHURU-KOLCDFICSA-N 2 0 264.398 1.943 10 0 CDAERP CC(C)(C)OC(=O)[C@@H]1C[NH2+]CC12C[C@H]1CC[C@@H](C2)[NH2+]1 ZINC000757183635 577034320 /nfs/dbraw/zinc/03/43/20/577034320.db2.gz DIDFORNGBKORNA-ZIGZJEJWSA-N 2 0 266.385 1.448 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC)[C@@H]1C)[NH+](CC)CC ZINC001689316751 1175143817 /nfs/dbraw/zinc/14/38/17/1175143817.db2.gz IPVIOJGXDQHZGB-RDBSUJKOSA-N 2 0 269.433 1.706 10 0 CDAERP Cc1ncsc1C[N@@H+](C)CCCNC(=O)CC[NH+](C)C ZINC001689834473 1175279071 /nfs/dbraw/zinc/27/90/71/1175279071.db2.gz LWILKPFFSNALJN-UHFFFAOYSA-N 2 0 298.456 1.341 10 0 CDAERP C[NH+]1CCN(CCC[NH2+]C2C[C@@H]3CCC[C@H]3C2)CC1 ZINC000902730707 625279608 /nfs/dbraw/zinc/27/96/08/625279608.db2.gz SCOIHHOYPIKWFO-GJZGRUSLSA-N 2 0 265.445 1.792 10 0 CDAERP CCCC[NH2+][C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001690168710 1175393439 /nfs/dbraw/zinc/39/34/39/1175393439.db2.gz KZJMNPRASVBIQL-HIFRSBDPSA-N 2 0 281.444 1.613 10 0 CDAERP CC(=O)NCCC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925518914 617429568 /nfs/dbraw/zinc/42/95/68/617429568.db2.gz PWUJCTYCCHXXEK-CABCVRRESA-N 2 0 267.417 1.271 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925552135 617500555 /nfs/dbraw/zinc/50/05/55/617500555.db2.gz JMDYVFNYPFODNP-COMQUAJESA-N 2 0 265.445 1.965 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCS(=O)(=O)CC2CC2)C1 ZINC000925582508 617530378 /nfs/dbraw/zinc/53/03/78/617530378.db2.gz GGDLYGGREWARKD-QWHCGFSZSA-N 2 0 288.457 1.307 10 0 CDAERP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925628287 617576072 /nfs/dbraw/zinc/57/60/72/617576072.db2.gz ZMSPDEGLURJAMW-XQHKEYJVSA-N 2 0 267.417 1.397 10 0 CDAERP CCO[C@H](CN[C@H](C)C[C@H]1CCCCC[NH2+]1)C[NH+](C)C ZINC000925843095 617874727 /nfs/dbraw/zinc/87/47/27/617874727.db2.gz ZFCQCPRJSCHMAZ-BZUAXINKSA-N 2 0 285.476 1.854 10 0 CDAERP Cc1nnc(CC[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)s1 ZINC000925669974 617628047 /nfs/dbraw/zinc/62/80/47/617628047.db2.gz ZXQFALSLDRRBMB-MNOVXSKESA-N 2 0 268.430 1.885 10 0 CDAERP COCC1(C[NH2+][C@H]2CC[NH2+]C23CCC3)CCOCC1 ZINC000925672974 617633320 /nfs/dbraw/zinc/63/33/20/617633320.db2.gz LDDQVNMCFNRIAM-ZDUSSCGKSA-N 2 0 268.401 1.304 10 0 CDAERP COC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCCOC1 ZINC000925776902 617671169 /nfs/dbraw/zinc/67/11/69/617671169.db2.gz ACVGOPOCFOIBHW-WQKZHXONSA-N 2 0 268.401 1.301 10 0 CDAERP COC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCOC1 ZINC000925776901 617671331 /nfs/dbraw/zinc/67/13/31/617671331.db2.gz ACVGOPOCFOIBHW-MQAAVTGUSA-N 2 0 268.401 1.301 10 0 CDAERP C(C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)CN1CC[NH2+]CC1 ZINC000925688773 617683932 /nfs/dbraw/zinc/68/39/32/617683932.db2.gz FLUUTQHQRFZTAN-IAGOWNOFSA-N 3 0 294.487 1.040 10 0 CDAERP C[C@@H](N[C@@H]1C[NH2+]C[C@H]1C)c1cccc(OCC[NH+](C)C)c1 ZINC000925783019 617699386 /nfs/dbraw/zinc/69/93/86/617699386.db2.gz AWIFHNWMWWBEFA-CKEIUWERSA-N 2 0 291.439 1.886 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000925783106 617699993 /nfs/dbraw/zinc/69/99/93/617699993.db2.gz CNISAVRANSJTNI-KHMAMNHCSA-N 2 0 251.418 1.304 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925783045 617700209 /nfs/dbraw/zinc/70/02/09/617700209.db2.gz BQUAGSRWFHHXSR-BJJPWKGXSA-N 2 0 251.418 1.208 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000925803081 617738694 /nfs/dbraw/zinc/73/86/94/617738694.db2.gz VHBNHVSFBRENED-KLLKFSIISA-N 2 0 252.402 1.765 10 0 CDAERP [NH3+][C@H]1C[C@H](NCCN2CCC([NH3+])CC2)c2ccccc21 ZINC000925816079 617771752 /nfs/dbraw/zinc/77/17/52/617771752.db2.gz DLEOTVZJAOUHQS-HOTGVXAUSA-N 2 0 274.412 1.144 10 0 CDAERP C[C@@H](N[C@@H](CC[NH+](C)C)c1cccnc1)[C@@H]1CCC[NH2+]1 ZINC000925825583 617808169 /nfs/dbraw/zinc/80/81/69/617808169.db2.gz AQYBAKVMSFPEPD-KBMXLJTQSA-N 2 0 276.428 1.805 10 0 CDAERP C(N[C@@H]1CC[NH2+]C12CCC2)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000925715579 617832260 /nfs/dbraw/zinc/83/22/60/617832260.db2.gz FBRSDALHZBDLAT-HZPDHXFCSA-N 2 0 277.456 1.983 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)C1 ZINC000925834104 617860585 /nfs/dbraw/zinc/86/05/85/617860585.db2.gz WCOSVWSOMDOCHQ-KSTCHIGDSA-N 2 0 268.401 1.286 10 0 CDAERP C[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1ncc[nH]1 ZINC000925842798 617873736 /nfs/dbraw/zinc/87/37/36/617873736.db2.gz NOXYEMMQJHYXII-ZDUSSCGKSA-N 2 0 265.405 1.136 10 0 CDAERP FC(F)(F)[C@]1(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCCN1 ZINC000925852939 617890429 /nfs/dbraw/zinc/89/04/29/617890429.db2.gz HYNLYEFEPRSPLT-RWMBFGLXSA-N 2 0 291.361 1.887 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@]1(C(F)(F)F)CCCN1 ZINC000925859575 617897968 /nfs/dbraw/zinc/89/79/68/617897968.db2.gz ZTAVUHLRSARNBG-GARJFASQSA-N 2 0 265.323 1.388 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])[NH2+]CCc1cccc2c1OCCO2 ZINC000925873855 617938246 /nfs/dbraw/zinc/93/82/46/617938246.db2.gz DWMAVMDQAIYLMA-NWDGAFQWSA-N 2 0 264.369 1.716 10 0 CDAERP O[C@H]1C[C@H](C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925732173 618041826 /nfs/dbraw/zinc/04/18/26/618041826.db2.gz WOFJMMPBOBBXRG-CYUUQNCZSA-N 2 0 252.402 1.515 10 0 CDAERP C[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)CN1CCOCC1 ZINC000925507590 618193419 /nfs/dbraw/zinc/19/34/19/618193419.db2.gz AQGJETLPRLBYAZ-RBSFLKMASA-N 2 0 283.460 1.450 10 0 CDAERP CC(C)CC[C@H](O)C[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000923427120 618332902 /nfs/dbraw/zinc/33/29/02/618332902.db2.gz RNJPOBQFVRXMLL-SRVKXCTJSA-N 2 0 282.350 1.853 10 0 CDAERP O[C@@H](COc1ccccc1)CN1CC[NH2+]CCC12CCC2 ZINC000923427631 618335637 /nfs/dbraw/zinc/33/56/37/618335637.db2.gz UDKWPFIGELWQRV-OAHLLOKOSA-N 2 0 290.407 1.644 10 0 CDAERP CC[C@H](C[C@@](C)(O)CC)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000924953218 618384141 /nfs/dbraw/zinc/38/41/41/618384141.db2.gz QKYQAMNDDFWEAX-ZACQAIPSSA-N 2 0 299.503 1.789 10 0 CDAERP CC(C)[C@@H]1COCC[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000924965232 618474054 /nfs/dbraw/zinc/47/40/54/618474054.db2.gz XGYUUYOYYRDFCU-GJZGRUSLSA-N 2 0 254.418 1.979 10 0 CDAERP CC(C)C[C@@H](CNC(=[NH2+])NCCC1CC1)[NH+](C)C ZINC000864450073 620921721 /nfs/dbraw/zinc/92/17/21/620921721.db2.gz DKIHDZRYZMCISG-ZDUSSCGKSA-N 2 0 254.422 1.877 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000897626233 621036533 /nfs/dbraw/zinc/03/65/33/621036533.db2.gz PCWSKXMLRQMLOB-YMAMQOFZSA-N 2 0 293.455 1.992 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)N2CCC(CC[NH+](C)C)CC2)CC[N@@H+]1C ZINC000925320851 621528612 /nfs/dbraw/zinc/52/86/12/621528612.db2.gz NUAZMGOOSJILDF-HIFRSBDPSA-N 2 0 296.459 1.452 10 0 CDAERP C1CC1[C@H]1COC[C@@H]1[NH2+]C1CCN(C2CC2)CC1 ZINC000898380744 621529841 /nfs/dbraw/zinc/52/98/41/621529841.db2.gz UQXYVVGVRDNBLY-CABCVRRESA-N 2 0 250.386 1.628 10 0 CDAERP O[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000250665489 622089630 /nfs/dbraw/zinc/08/96/30/622089630.db2.gz RQWMOJGIYTUANL-NJVJYBDUSA-N 2 0 252.402 1.800 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CNC(=[NH2+])N[C@H](C)C2CC2)C1 ZINC000899265038 622128918 /nfs/dbraw/zinc/12/89/18/622128918.db2.gz REFVGJGOKGVYKD-NEPJUHHUSA-N 2 0 252.406 1.629 10 0 CDAERP C[C@H](NC(=[NH2+])NCCCC[NH+]1CCOCC1)C1CC1 ZINC000899265425 622129697 /nfs/dbraw/zinc/12/96/97/622129697.db2.gz BNDZKBAMYGBDIE-LBPRGKRZSA-N 2 0 268.405 1.011 10 0 CDAERP C[C@@H](NC(=[NH2+])NCC1([NH+](C)C)CCOCC1)C1CC1 ZINC000899267929 622145546 /nfs/dbraw/zinc/14/55/46/622145546.db2.gz YXXGNTOUNJCFCM-LLVKDONJSA-N 2 0 268.405 1.010 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=[NH2+])N[C@@H](C)C2CC2)C1 ZINC000899269896 622146194 /nfs/dbraw/zinc/14/61/94/622146194.db2.gz FLQOHYMNXFTCDD-QWHCGFSZSA-N 2 0 266.433 1.877 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C1CCCCC1 ZINC000900198184 622795805 /nfs/dbraw/zinc/79/58/05/622795805.db2.gz UBTOXXKCBMWUQS-HNNXBMFYSA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH+](C)C ZINC000900684642 623372468 /nfs/dbraw/zinc/37/24/68/623372468.db2.gz UFRQLYAWYQFUTG-CYBMUJFWSA-N 2 0 267.417 1.175 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC000900884550 623605977 /nfs/dbraw/zinc/60/59/77/623605977.db2.gz BYKWPNFDMSONQI-ARFHVFGLSA-N 2 0 293.455 1.946 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000900959074 623726990 /nfs/dbraw/zinc/72/69/90/623726990.db2.gz UFSSNEZXLRBWGZ-QWHCGFSZSA-N 2 0 265.401 1.071 10 0 CDAERP C([NH2+][C@H]1CC[NH2+]C12CCC2)[C@]12C[C@H]1COC21CCC1 ZINC000902460015 624849079 /nfs/dbraw/zinc/84/90/79/624849079.db2.gz FGJZJIGUWPPIFL-MELADBBJSA-N 2 0 262.397 1.820 10 0 CDAERP C1CC1[C@@H]1COC[C@@H]1[NH2+][C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000902517555 624917437 /nfs/dbraw/zinc/91/74/37/624917437.db2.gz JJXBCKLSHDDVJT-QXKUPLGCSA-N 2 0 264.413 1.922 10 0 CDAERP CCCNC(=O)C1CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903429291 625989429 /nfs/dbraw/zinc/98/94/29/625989429.db2.gz DHNLMXFUAPQENN-OCCSQVGLSA-N 2 0 267.417 1.080 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)C1 ZINC000903430920 625989920 /nfs/dbraw/zinc/98/99/20/625989920.db2.gz IPEFYWGWRLHBNK-IMJJTQAJSA-N 2 0 287.407 1.677 10 0 CDAERP CCCCNC(=O)[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903432801 625990345 /nfs/dbraw/zinc/99/03/45/625990345.db2.gz KWXFHDDSWJHJAU-KFWWJZLASA-N 2 0 281.444 1.470 10 0 CDAERP Cc1noc([C@H]2CCC[N@H+](C[C@@H]3CC[C@H]([NH3+])C3)C2)n1 ZINC000903433059 625990610 /nfs/dbraw/zinc/99/06/10/625990610.db2.gz SMIVZKZFKOVDMP-AGIUHOORSA-N 2 0 264.373 1.685 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(CN2CCCCC2=O)CC1 ZINC000903439313 625992260 /nfs/dbraw/zinc/99/22/60/625992260.db2.gz FQOLYZQULSHQQQ-ZBFHGGJFSA-N 2 0 293.455 1.566 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@H+](CCCO)Cc2ccccc2)C1 ZINC000903461401 625996032 /nfs/dbraw/zinc/99/60/32/625996032.db2.gz SGCJFBUENPXXPX-JKSUJKDBSA-N 2 0 262.397 1.998 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H]1CN1C[C@@H](C)O[C@H](C)C1 ZINC000903442251 625997020 /nfs/dbraw/zinc/99/70/20/625997020.db2.gz MIIIBOHIRCCXME-OVYGPGRDSA-N 2 0 295.471 1.416 10 0 CDAERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903446179 625999141 /nfs/dbraw/zinc/99/91/41/625999141.db2.gz UPLCBCUIPPJRHT-OWCLPIDISA-N 3 0 283.460 1.547 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000903453051 626001186 /nfs/dbraw/zinc/00/11/86/626001186.db2.gz XLOFXTPGKBXCKZ-NWANDNLSSA-N 3 0 251.418 1.435 10 0 CDAERP CCOC(=O)[C@H]1CCCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903454419 626001608 /nfs/dbraw/zinc/00/16/08/626001608.db2.gz BQIAIYUBCDVHCP-FRRDWIJNSA-N 2 0 254.374 1.531 10 0 CDAERP [NH3+][C@@H]1CC[C@H](CN2CCNC(=O)[C@H]2c2ccccc2F)C1 ZINC000903455969 626002408 /nfs/dbraw/zinc/00/24/08/626002408.db2.gz ANIMERRYGVKXRN-YWPYICTPSA-N 2 0 291.370 1.426 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C[C@H](C)C(C)(C)C)C2 ZINC000903494736 626011342 /nfs/dbraw/zinc/01/13/42/626011342.db2.gz MITXAAYAGYVEHP-JFILPPLUSA-N 2 0 282.428 1.881 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)N(C)c2nccs2)C[C@H]1CC[NH3+] ZINC000903497211 626011925 /nfs/dbraw/zinc/01/19/25/626011925.db2.gz QFOIBMNWRXLCBN-GHMZBOCLSA-N 2 0 282.413 1.023 10 0 CDAERP C[C@@H]1C[N@H+](Cc2nc(-c3ccccn3)no2)C[C@H]1CC[NH3+] ZINC000903497468 626012217 /nfs/dbraw/zinc/01/22/17/626012217.db2.gz YHUDNXZWQQUEOF-VXGBXAGGSA-N 2 0 287.367 1.548 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903542351 626016671 /nfs/dbraw/zinc/01/66/71/626016671.db2.gz SJJMRCMIKZCSGP-VPOLOUISSA-N 2 0 265.323 1.053 10 0 CDAERP C(CC1CC[NH2+]CC1)C[N@@H+]1CCOC[C@@H]1C[C@@H]1CCOC1 ZINC000903825329 626104716 /nfs/dbraw/zinc/10/47/16/626104716.db2.gz YYCUSCQAFVBTMP-IRXDYDNUSA-N 2 0 296.455 1.894 10 0 CDAERP CCOC(=O)[C@@H]1CSCCN1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903878849 626129928 /nfs/dbraw/zinc/12/99/28/626129928.db2.gz LLSBUZFRRJQEQP-GSPSYOTPSA-N 2 0 298.452 1.498 10 0 CDAERP COC(=O)C[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCC1 ZINC000903899647 626138186 /nfs/dbraw/zinc/13/81/86/626138186.db2.gz VKQRHZKAJKXZRU-AGUYFDCRSA-N 2 0 280.412 1.935 10 0 CDAERP O=c1[nH]ccc2c1C[N@H+](Cc1cccc3c1CC[NH2+]C3)CC2 ZINC000903916871 626156979 /nfs/dbraw/zinc/15/69/79/626156979.db2.gz VUZRGMNEVVPMGG-UHFFFAOYSA-N 2 0 295.386 1.991 10 0 CDAERP COc1cccc(C[C@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)n1 ZINC000903955992 626167043 /nfs/dbraw/zinc/16/70/43/626167043.db2.gz DUSDUVBUUZFZBZ-RYUDHWBXSA-N 2 0 299.365 1.856 10 0 CDAERP CC(C)[C@H](C[NH3+])CN1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903984314 626173463 /nfs/dbraw/zinc/17/34/63/626173463.db2.gz TULJAVODZJWJBE-VWYCJHECSA-N 2 0 267.339 1.429 10 0 CDAERP [NH2+]=C(NCc1ccc2c[nH+]cn2c1)NC[C@@H]1CCCS1 ZINC000905042850 626381985 /nfs/dbraw/zinc/38/19/85/626381985.db2.gz ICROJPIEABEXEG-ZDUSSCGKSA-N 2 0 289.408 1.844 10 0 CDAERP CCCC[N@H+](C)CCNC(=[NH2+])NC[C@H]1CCCS1 ZINC000905042665 626382230 /nfs/dbraw/zinc/38/22/30/626382230.db2.gz QISUDSIJAJGOGF-GFCCVEGCSA-N 2 0 272.462 1.728 10 0 CDAERP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1CC[NH+](C)C)[NH+](C)C ZINC000912648041 630125174 /nfs/dbraw/zinc/12/51/74/630125174.db2.gz CSLYYJVKRJCAJW-MCIONIFRSA-N 2 0 269.433 1.658 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC(C)([NH+](C)C)CC2)CC[N@@H+]1C ZINC000913393164 630468787 /nfs/dbraw/zinc/46/87/87/630468787.db2.gz SBUATMMHDHOODX-KBPBESRZSA-N 2 0 281.444 1.659 10 0 CDAERP C[NH+](C)C1(C)CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000913393396 630469604 /nfs/dbraw/zinc/46/96/04/630469604.db2.gz XFKJXCXITVAPOC-UHFFFAOYSA-N 2 0 286.379 1.891 10 0 CDAERP O=C(NC12CC[NH+](CC1)C2)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000913631288 630715820 /nfs/dbraw/zinc/71/58/20/630715820.db2.gz ODJSELVQRFBWRH-AWEZNQCLSA-N 2 0 277.412 1.358 10 0 CDAERP C[C@H]1[C@H](NC(=O)NCC[NH+]2CCC(C)CC2)CC[N@@H+]1C ZINC000914075039 631010139 /nfs/dbraw/zinc/01/01/39/631010139.db2.gz QGBOQYJRXHXJNZ-UONOGXRCSA-N 2 0 282.432 1.110 10 0 CDAERP CCc1[nH]nc(Cl)c1C[NH2+]CCCN1CC[NH+](C)CC1 ZINC000921508824 633039555 /nfs/dbraw/zinc/03/95/55/633039555.db2.gz OVLQBIMAYWBJDB-UHFFFAOYSA-N 2 0 299.850 1.353 10 0 CDAERP CC[NH+](CC)CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001691023939 1158539174 /nfs/dbraw/zinc/53/91/74/1158539174.db2.gz XPLAUONRVOPWIA-CYBMUJFWSA-N 2 0 255.406 1.319 10 0 CDAERP CN(C[C@@H]1CC[N@@H+]1CCCCCF)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001691413583 1159058238 /nfs/dbraw/zinc/05/82/38/1159058238.db2.gz RXRINMQZLQJZCP-CABCVRRESA-N 2 0 299.434 1.611 10 0 CDAERP CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]CCCF)C1)[NH+]1CCCCC1 ZINC001690338422 1175443544 /nfs/dbraw/zinc/44/35/44/1175443544.db2.gz WJURVNMVFOEDLJ-OKILXGFUSA-N 2 0 299.434 1.847 10 0 CDAERP C[C@@H]1CCC[N@@H+]1CCNC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000807272333 1162743112 /nfs/dbraw/zinc/74/31/12/1162743112.db2.gz ZLGXQOIOOWIGSM-CABCVRRESA-N 2 0 281.444 1.851 10 0 CDAERP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N(C)OC)CC1 ZINC000091509056 1159174638 /nfs/dbraw/zinc/17/46/38/1159174638.db2.gz KECZQFFYQFOGHU-UHFFFAOYSA-N 2 0 285.432 1.450 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001691441111 1159217930 /nfs/dbraw/zinc/21/79/30/1159217930.db2.gz YRFQITHZECFJCT-VNQPRFMTSA-N 2 0 293.455 1.613 10 0 CDAERP C[C@@H](F)CC[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001691447711 1159305303 /nfs/dbraw/zinc/30/53/03/1159305303.db2.gz LHQVYYXWWHSTTM-RDBSUJKOSA-N 2 0 287.423 1.513 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC1CC1 ZINC001481236052 1159588025 /nfs/dbraw/zinc/58/80/25/1159588025.db2.gz IMOXJPXARKCBJM-AWEZNQCLSA-N 2 0 267.417 1.319 10 0 CDAERP CCOCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001733037704 1160466366 /nfs/dbraw/zinc/46/63/66/1160466366.db2.gz JXAGKJZDGVYKBC-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)C[NH2+]CC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001272995484 1161473231 /nfs/dbraw/zinc/47/32/31/1161473231.db2.gz ZKRRAIADSNCZEG-ZDUSSCGKSA-N 2 0 269.433 1.469 10 0 CDAERP COc1cccc(OCC[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC000923499080 1161544823 /nfs/dbraw/zinc/54/48/23/1161544823.db2.gz RHZONISAUASEPR-ZIAGYGMSSA-N 2 0 278.396 1.991 10 0 CDAERP COCC[NH2+]C1CCN(C(=O)CCCCCC[NH3+])CC1 ZINC000846688647 1164261155 /nfs/dbraw/zinc/26/11/55/1164261155.db2.gz VXAIIFVXLCIKFG-UHFFFAOYSA-N 2 0 285.432 1.123 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)CCCCC[NH3+] ZINC000846690341 1164262046 /nfs/dbraw/zinc/26/20/46/1164262046.db2.gz AZMPLYMRUTYCNX-UHFFFAOYSA-N 2 0 263.385 1.541 10 0 CDAERP C[C@@H]1C[C@H]1NC(=[NH2+])NCCC[N@@H+]1CCc2ccccc2C1 ZINC000864451169 1164544153 /nfs/dbraw/zinc/54/41/53/1164544153.db2.gz GBFXYNFIGLAGCD-CZUORRHYSA-N 2 0 286.423 1.957 10 0 CDAERP C[C@H]1C[C@H]1NC(=[NH2+])NCC1([NH+](C)C)CCCCC1 ZINC000864453055 1164544951 /nfs/dbraw/zinc/54/49/51/1164544951.db2.gz WECKMYODEQNPFM-NWDGAFQWSA-N 2 0 252.406 1.773 10 0 CDAERP CC[C@H]1CCN(C(=[NH2+])NCCNc2cc[nH+]cc2)C1 ZINC000864455092 1164545036 /nfs/dbraw/zinc/54/50/36/1164545036.db2.gz GILAHTMRUTYXOA-LBPRGKRZSA-N 2 0 261.373 1.172 10 0 CDAERP CC[C@H]1CCN(C(=[NH2+])NCCN2CCC([NH+](C)C)CC2)C1 ZINC000864458034 1164546958 /nfs/dbraw/zinc/54/69/58/1164546958.db2.gz VVCBDRSIKWHECR-AWEZNQCLSA-N 2 0 295.475 1.269 10 0 CDAERP C[C@H](C[NH2+][C@@H](C1CCC1)[C@H]1CCCO1)N1CC[NH+](C)CC1 ZINC000866262012 1164758135 /nfs/dbraw/zinc/75/81/35/1164758135.db2.gz ZDBWDXPJNKJHEE-OIISXLGYSA-N 2 0 295.471 1.560 10 0 CDAERP CC[C@H](C[C@H](C)O)[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000866635122 1164799996 /nfs/dbraw/zinc/79/99/96/1164799996.db2.gz XLOSHVSKZMNYLD-JARUQAPTSA-N 2 0 254.418 1.998 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=S)NCCC[NH+](C)C ZINC000795003040 1164925874 /nfs/dbraw/zinc/92/58/74/1164925874.db2.gz FGIOABGHMAJQLG-GFCCVEGCSA-N 2 0 274.478 1.133 10 0 CDAERP C[NH+](C)C[C@@H]1CN(C(=O)c2ccsc2)C[C@H]1C[NH+](C)C ZINC000870023881 1165133285 /nfs/dbraw/zinc/13/32/85/1165133285.db2.gz FCUJVROLODOBOV-ZIAGYGMSSA-N 2 0 295.452 1.560 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)C1 ZINC000870989120 1165249863 /nfs/dbraw/zinc/24/98/63/1165249863.db2.gz FMCMRPOGNBRHJL-XKQJLSEDSA-N 2 0 293.455 1.600 10 0 CDAERP CO[C@H]1C[C@@H](C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000872145871 1165385032 /nfs/dbraw/zinc/38/50/32/1165385032.db2.gz XNVNIPNPIOWRQR-IBEHDNSVSA-N 2 0 282.428 1.772 10 0 CDAERP C[N@H+](CCCCCC[NH3+])[C@@H](C(N)=O)c1ccccc1 ZINC000872155446 1165386853 /nfs/dbraw/zinc/38/68/53/1165386853.db2.gz RYLIIMYFBMAMTP-CQSZACIVSA-N 2 0 263.385 1.664 10 0 CDAERP CC(C)(O)C[C@@H](O)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000872204217 1165395156 /nfs/dbraw/zinc/39/51/56/1165395156.db2.gz WLHOWLPHRFLPNA-MRXNPFEDSA-N 2 0 298.471 1.895 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001643793757 1167269102 /nfs/dbraw/zinc/26/91/02/1167269102.db2.gz FZYMRYXLYPQGMN-RDBSUJKOSA-N 2 0 267.417 1.127 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N(C)CC2C[NH+](C)C2)C1 ZINC001644630260 1167330554 /nfs/dbraw/zinc/33/05/54/1167330554.db2.gz KNBADMXQLURYNZ-AWEZNQCLSA-N 2 0 267.417 1.127 10 0 CDAERP CC[N@H+](C)[C@@H]1CCN(C(=O)NCC[C@@H]2CCC[NH+](C)C2)C1 ZINC001364286849 1167529994 /nfs/dbraw/zinc/52/99/94/1167529994.db2.gz JHTHMFGKPGBXBV-LSDHHAIUSA-N 2 0 296.459 1.454 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1C(=O)NCCC[NH+]1CCCC1 ZINC000062073423 1167835891 /nfs/dbraw/zinc/83/58/91/1167835891.db2.gz FCILLSZQWKSPLZ-CHWSQXEVSA-N 2 0 253.390 1.106 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCCF)C1 ZINC001565843098 1168182651 /nfs/dbraw/zinc/18/26/51/1168182651.db2.gz DVFQKGKCHZUWCF-QLFBSQMISA-N 2 0 299.434 1.703 10 0 CDAERP C[N@H+](CC(=O)N1CC[C@@H](C[NH2+]C/C=C/Cl)C1)C1CCC1 ZINC001567128891 1168588948 /nfs/dbraw/zinc/58/89/48/1168588948.db2.gz XCVWOOCHZHNCJD-MXPWBENCSA-N 2 0 299.846 1.661 10 0 CDAERP CCC(CC)C[NH2+]CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001567496200 1168812257 /nfs/dbraw/zinc/81/22/57/1168812257.db2.gz CTEWDOMLKAFATF-INIZCTEOSA-N 2 0 295.471 1.812 10 0 CDAERP C[C@H](C[NH2+]CCc1ccns1)N(C)C(=O)CC[NH+](C)C ZINC001568296616 1169229137 /nfs/dbraw/zinc/22/91/37/1169229137.db2.gz CWDZAFBVHCWJLL-GFCCVEGCSA-N 2 0 298.456 1.074 10 0 CDAERP Cc1cccc(C[NH2+]C/C=C\CNC(=O)CC[NH+](C)C)c1 ZINC001568912330 1169545016 /nfs/dbraw/zinc/54/50/16/1169545016.db2.gz NNWOLXSCXVDCJJ-PLNGDYQASA-N 2 0 289.423 1.709 10 0 CDAERP CCC[NH2+]C/C=C\CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001568919430 1169548716 /nfs/dbraw/zinc/54/87/16/1169548716.db2.gz ARRXRHOBGKTKGW-FPLPWBNLSA-N 2 0 269.433 1.636 10 0 CDAERP CC(C)OCC[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001569403262 1169859180 /nfs/dbraw/zinc/85/91/80/1169859180.db2.gz JCHFXPUTLGEESL-UHFFFAOYSA-N 2 0 297.443 1.134 10 0 CDAERP CC(C)C[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001570354531 1170138338 /nfs/dbraw/zinc/13/83/38/1170138338.db2.gz NQZBPQDLEDTDLG-OLZOCXBDSA-N 2 0 255.406 1.031 10 0 CDAERP CCCCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001571388719 1170405998 /nfs/dbraw/zinc/40/59/98/1170405998.db2.gz WMXNJIKNCVOSKM-GDBMZVCRSA-N 2 0 295.471 1.955 10 0 CDAERP CCCC[NH2+][C@H](C)CN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001571418227 1170420801 /nfs/dbraw/zinc/42/08/01/1170420801.db2.gz SMCYCUZRRMMHLI-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP CCCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H]1C ZINC001571456277 1170437159 /nfs/dbraw/zinc/43/71/59/1170437159.db2.gz BOHCNEUHFRTXLF-DZGCQCFKSA-N 2 0 281.444 1.850 10 0 CDAERP CC[N@H+](C)C[C@@H]1CC[NH+](CC23CC(C)(C2)OC3)C1 ZINC001652640252 1171460124 /nfs/dbraw/zinc/46/01/24/1171460124.db2.gz LHXWBPBITAKONU-NFOMZHRRSA-N 2 0 252.402 1.829 10 0 CDAERP C[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C[NH2+]CCC2CC2)C1 ZINC001656572027 1171846768 /nfs/dbraw/zinc/84/67/68/1171846768.db2.gz XULYXZLTLFGCBZ-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](CC(=O)NCCC[N@@H+](C)CC1CC1)C1CCC1 ZINC001660170671 1172170596 /nfs/dbraw/zinc/17/05/96/1172170596.db2.gz RDULMKIMSUUIEJ-UHFFFAOYSA-N 2 0 267.417 1.319 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCCF)C1 ZINC001662577950 1172561173 /nfs/dbraw/zinc/56/11/73/1172561173.db2.gz IYTLDXOKBCWBLF-UONOGXRCSA-N 2 0 285.407 1.411 10 0 CDAERP CC/C=C/CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C ZINC001665378680 1172990185 /nfs/dbraw/zinc/99/01/85/1172990185.db2.gz DVJDYRYJQFKVMQ-GHNZZDGLSA-N 2 0 291.439 1.722 10 0 CDAERP CCC[NH2+]C[C@@](C)(NC(=O)[C@@H](CC)[NH+](C)C)C1CC1 ZINC001666004902 1173099191 /nfs/dbraw/zinc/09/91/91/1173099191.db2.gz LAQCTJKYRKJDEH-UKRRQHHQSA-N 2 0 269.433 1.611 10 0 CDAERP CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001666110780 1173111594 /nfs/dbraw/zinc/11/15/94/1173111594.db2.gz KIFBIDUVGATUAJ-ZBFHGGJFSA-N 2 0 293.455 1.566 10 0 CDAERP C[C@H](C[NH2+]CC1CC(C)C1)N(C)C(=O)CC[NH+](C)C ZINC001666983318 1173216882 /nfs/dbraw/zinc/21/68/82/1173216882.db2.gz YWIJYCYUMFEDAW-ROKHWSDSSA-N 2 0 269.433 1.421 10 0 CDAERP CCC[NH2+]C[C@H](CC(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001667111958 1173236914 /nfs/dbraw/zinc/23/69/14/1173236914.db2.gz IMDFYAQDCHWMPY-AWEZNQCLSA-N 2 0 281.444 1.613 10 0 CDAERP CC/C=C\CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001669293915 1173532704 /nfs/dbraw/zinc/53/27/04/1173532704.db2.gz UKRSPSPLFMHQOC-RCELQXLSSA-N 2 0 293.455 1.779 10 0 CDAERP CC[N@H+](C)CCC(=O)NC1CC(C[NH2+]C/C=C\Cl)C1 ZINC001674595288 1173966019 /nfs/dbraw/zinc/96/60/19/1173966019.db2.gz LRHYGUZOGYGELI-XQRVVYSFSA-N 2 0 287.835 1.565 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC001595810796 1174216992 /nfs/dbraw/zinc/21/69/92/1174216992.db2.gz UMHNTEZRFQPPQD-KGLIPLIRSA-N 2 0 269.433 1.422 10 0 CDAERP CCC/C=C\CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001690560082 1175500810 /nfs/dbraw/zinc/50/08/10/1175500810.db2.gz PGGSMFBWPHGIKW-WJNHHXLDSA-N 2 0 281.444 1.921 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCCF)C2)C1 ZINC001691916676 1175651963 /nfs/dbraw/zinc/65/19/63/1175651963.db2.gz AXRBMLDCDFSVHB-SOUVJXGZSA-N 2 0 299.434 1.562 10 0 CDAERP COC[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC[NH+](C)C ZINC001692382371 1175755541 /nfs/dbraw/zinc/75/55/41/1175755541.db2.gz LFUCAQXDSGXTCN-KKUMJFAQSA-N 2 0 297.443 1.038 10 0 CDAERP COCCC[N@@H+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001698551799 1175834716 /nfs/dbraw/zinc/83/47/16/1175834716.db2.gz NSJKLFBVIFFQAZ-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001698573775 1175853124 /nfs/dbraw/zinc/85/31/24/1175853124.db2.gz CZQKVUAKUQKZEF-QDNWOOLPSA-N 2 0 293.455 1.827 10 0 CDAERP CC[NH2+]CC[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001698683571 1175894034 /nfs/dbraw/zinc/89/40/34/1175894034.db2.gz QPMOEVSQSQXFIW-GJZGRUSLSA-N 2 0 281.444 1.566 10 0 CDAERP C[C@H](CC[NH2+]CC1CCCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001699145856 1176112109 /nfs/dbraw/zinc/11/21/09/1176112109.db2.gz DUEBRYDHQFPYPW-CQSZACIVSA-N 2 0 293.455 1.757 10 0 CDAERP CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001699405530 1176371466 /nfs/dbraw/zinc/37/14/66/1176371466.db2.gz AHZNNQFHKJKZRG-GXTWGEPZSA-N 2 0 267.417 1.508 10 0 CDAERP CC1CC(C[NH2+]CCCN(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001699508812 1176453713 /nfs/dbraw/zinc/45/37/13/1176453713.db2.gz FSJXUGHEZZZNSO-UHFFFAOYSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)C1(C(=O)N2CC[C@](C)(C[NH2+]CCF)C2)CCC1 ZINC001699838096 1176651797 /nfs/dbraw/zinc/65/17/97/1176651797.db2.gz TZOSUJGLSTVKQE-CQSZACIVSA-N 2 0 285.407 1.268 10 0 CDAERP C[NH+](C)CCCC(=O)N1CC[C@H](CC[NH2+]CC2CC2)C1 ZINC001700079323 1176741026 /nfs/dbraw/zinc/74/10/26/1176741026.db2.gz LGXJWIZMRIFPFX-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)C[N@H+](C)CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001700203149 1176797777 /nfs/dbraw/zinc/79/77/77/1176797777.db2.gz ICJXQSGEHOECAH-UHFFFAOYSA-N 2 0 269.433 1.519 10 0 CDAERP CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001700766294 1177121569 /nfs/dbraw/zinc/12/15/69/1177121569.db2.gz UJFPKVAHMJPUEO-RDBSUJKOSA-N 2 0 269.433 1.563 10 0 CDAERP COCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H]1C ZINC001707247076 1177980668 /nfs/dbraw/zinc/98/06/68/1177980668.db2.gz FKJOLRKNEHRSEN-ILXRZTDVSA-N 2 0 297.443 1.086 10 0 CDAERP CC[C@H](F)C[N@H+](C)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001707419255 1178032467 /nfs/dbraw/zinc/03/24/67/1178032467.db2.gz YOPQKJIZVBBANZ-ZDUSSCGKSA-N 2 0 285.407 1.268 10 0 CDAERP C[C@@H]1[C@H](C(=O)NCCC[NH+](CC2CC2)C2CC2)CC[N@@H+]1C ZINC001707482349 1178074566 /nfs/dbraw/zinc/07/45/66/1178074566.db2.gz MVLOZBJLIJLHQM-CZUORRHYSA-N 2 0 293.455 1.707 10 0 CDAERP CC/C=C/CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001723498786 1178126936 /nfs/dbraw/zinc/12/69/36/1178126936.db2.gz ANKFWQLKALTNCO-NNTXTVRGSA-N 2 0 279.428 1.675 10 0 CDAERP CC(C)CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001723975330 1178136708 /nfs/dbraw/zinc/13/67/08/1178136708.db2.gz AAUJXVNKQUEMKH-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP CCCC[NH2+][C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001713316807 1178493181 /nfs/dbraw/zinc/49/31/81/1178493181.db2.gz ZSCOBTMZFZIAHW-KGLIPLIRSA-N 2 0 269.433 1.755 10 0 CDAERP COCCCC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001713520011 1178620201 /nfs/dbraw/zinc/62/02/01/1178620201.db2.gz LWFFXCBUJRRJIA-HNNXBMFYSA-N 2 0 297.443 1.089 10 0 CDAERP CC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000161110922 1178646102 /nfs/dbraw/zinc/64/61/02/1178646102.db2.gz CFAIFXSSRCUUFZ-UONOGXRCSA-N 2 0 267.417 1.352 10 0 CDAERP CC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000161110684 1178646423 /nfs/dbraw/zinc/64/64/23/1178646423.db2.gz CFAIFXSSRCUUFZ-KBPBESRZSA-N 2 0 267.417 1.352 10 0 CDAERP COCC[NH2+]CCN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001713618413 1178683293 /nfs/dbraw/zinc/68/32/93/1178683293.db2.gz XOPXWBUMTQCYQG-UHFFFAOYSA-N 2 0 299.459 1.193 10 0 CDAERP CCC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)C(C)C ZINC001713686799 1178708958 /nfs/dbraw/zinc/70/89/58/1178708958.db2.gz HUDVAXLIJHINGH-AWEZNQCLSA-N 2 0 269.433 1.707 10 0 CDAERP CCC[NH+]1CC(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001713925508 1178849718 /nfs/dbraw/zinc/84/97/18/1178849718.db2.gz DRBSCNRCOCVMAB-CHWSQXEVSA-N 2 0 267.417 1.317 10 0 CDAERP CCCCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001714093067 1178968248 /nfs/dbraw/zinc/96/82/48/1178968248.db2.gz AVHMKXAVENYODR-CVEARBPZSA-N 2 0 295.471 1.957 10 0 CDAERP CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001714105556 1178975873 /nfs/dbraw/zinc/97/58/73/1178975873.db2.gz AJLYOVWOUZLPGC-KBPBESRZSA-N 2 0 269.433 1.754 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CC[C@@H](C)F)C1 ZINC001714374910 1179110839 /nfs/dbraw/zinc/11/08/39/1179110839.db2.gz PZCWIDKUOYGMSQ-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP O=C(CC[NH+]1CCCCC1)N1CC[C@@H](C[NH2+]CCF)C1 ZINC001714384749 1179116189 /nfs/dbraw/zinc/11/61/89/1179116189.db2.gz HPDGJWGDJIVSJW-AWEZNQCLSA-N 2 0 285.407 1.270 10 0 CDAERP CC(C)[C@@H](C(=O)NC[C@@H](C)C[NH2+]C/C=C/Cl)[NH+](C)C ZINC001714400210 1179124715 /nfs/dbraw/zinc/12/47/15/1179124715.db2.gz VLQMWBBIAAUEDM-XKZLPGLHSA-N 2 0 289.851 1.667 10 0 CDAERP C[NH+]1CCC(C(=O)NCCC[C@H]2CCC[N@@H+]2CCF)CC1 ZINC001714526834 1179182462 /nfs/dbraw/zinc/18/24/62/1179182462.db2.gz GZDZICVHGAPAAG-HNNXBMFYSA-N 2 0 299.434 1.659 10 0 CDAERP Cc1nocc1C[NH2+]CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001714714528 1179354561 /nfs/dbraw/zinc/35/45/61/1179354561.db2.gz HMGJENWOQOVOSC-UHFFFAOYSA-N 2 0 294.399 1.015 10 0 CDAERP CCCCC[NH2+]CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001714748953 1179374908 /nfs/dbraw/zinc/37/49/08/1179374908.db2.gz GSSGBSUETHXOOL-UHFFFAOYSA-N 2 0 269.433 1.566 10 0 CDAERP CN(CC[NH2+]CCC1CC1)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001714768350 1179386188 /nfs/dbraw/zinc/38/61/88/1179386188.db2.gz SCOJTSAJACBUHD-HOTGVXAUSA-N 2 0 293.455 1.851 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)CC[NH2+]Cc1c(C)noc1C ZINC001714785476 1179397491 /nfs/dbraw/zinc/39/74/91/1179397491.db2.gz PFCPKGRITNHZFR-UHFFFAOYSA-N 2 0 296.415 1.181 10 0 CDAERP COCC[NH2+]CC[C@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001715455202 1179671219 /nfs/dbraw/zinc/67/12/19/1179671219.db2.gz LDIACPZMCXYITQ-OAHLLOKOSA-N 2 0 299.459 1.334 10 0 CDAERP CCOCC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001715564394 1179718015 /nfs/dbraw/zinc/71/80/15/1179718015.db2.gz UJKVNWYTNKXLRW-RBSFLKMASA-N 2 0 299.459 1.094 10 0 CDAERP CCCC[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001715743768 1179787382 /nfs/dbraw/zinc/78/73/82/1179787382.db2.gz PNSUQLDBEUBDCE-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP CCN(CC[NH2+]CC1CC1)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001715763042 1179794899 /nfs/dbraw/zinc/79/48/99/1179794899.db2.gz JLWQIZFDNMXURQ-HZPDHXFCSA-N 2 0 293.455 1.851 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C[NH2+]CC[C@H](C)F)[NH+](C)C ZINC001715981324 1179961678 /nfs/dbraw/zinc/96/16/78/1179961678.db2.gz USOYLUUXBFFDJS-SDDRHHMPSA-N 2 0 261.385 1.169 10 0 CDAERP CCCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001715983828 1179963196 /nfs/dbraw/zinc/96/31/96/1179963196.db2.gz SASMXBGXVDTLOF-STQMWFEESA-N 2 0 255.406 1.365 10 0 CDAERP O=C(C[NH+]1CCCC1)NC/C=C\C[NH2+]CCC1CCCC1 ZINC001716375710 1180172583 /nfs/dbraw/zinc/17/25/83/1180172583.db2.gz JKZGHIDDPLUUIV-ARJAWSKDSA-N 2 0 293.455 1.925 10 0 CDAERP CC/C=C/CC[NH2+]C[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001716460470 1180223350 /nfs/dbraw/zinc/22/33/50/1180223350.db2.gz IAGHHEQXOBGTLS-WHJWBVKISA-N 2 0 281.444 1.779 10 0 CDAERP CCCC[NH2+]CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001716579543 1180293376 /nfs/dbraw/zinc/29/33/76/1180293376.db2.gz UYFQRPJNUNQORN-UHFFFAOYSA-N 2 0 267.417 1.320 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C[NH2+]C/C=C/Cl)C1CC1)[NH+](C)C ZINC001716621312 1180309893 /nfs/dbraw/zinc/30/98/93/1180309893.db2.gz JULANOGIVQQNAT-BVAIOKDQSA-N 2 0 287.835 1.564 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001717336249 1180621270 /nfs/dbraw/zinc/62/12/70/1180621270.db2.gz FATYCTAFPFUXKT-LSDHHAIUSA-N 2 0 281.444 1.873 10 0 CDAERP CCCC[NH2+][C@H](CCNC(=O)[C@@H]1CN(C)CCO1)C(C)C ZINC001717718597 1180804552 /nfs/dbraw/zinc/80/45/52/1180804552.db2.gz NCHNPFUFHUZWAE-CABCVRRESA-N 2 0 299.459 1.238 10 0 CDAERP C[C@H]1[C@H]([NH2+]CCCF)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001717797605 1180860430 /nfs/dbraw/zinc/86/04/30/1180860430.db2.gz DZQGKPICOQQNMA-QWHCGFSZSA-N 2 0 285.407 1.267 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]CCC2CC2)C(C)(C)C)C1 ZINC001717972145 1180952762 /nfs/dbraw/zinc/95/27/62/1180952762.db2.gz AOWBYEMHQUTPRU-LSDHHAIUSA-N 2 0 295.471 1.859 10 0 CDAERP CCOCCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001724999170 1181821162 /nfs/dbraw/zinc/82/11/62/1181821162.db2.gz RTZJHZBZJKKGDI-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP CCC[NH2+]CC1CC(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001725064297 1181841427 /nfs/dbraw/zinc/84/14/27/1181841427.db2.gz JTWLRAGBWCEYIC-ZALBZXLWSA-N 2 0 279.428 1.223 10 0 CDAERP CCCC[NH2+]CC1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001725072322 1181845297 /nfs/dbraw/zinc/84/52/97/1181845297.db2.gz IGNOAHBUOLAMAC-MOKVOYLWSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)CCC1CC1 ZINC001725193121 1181918105 /nfs/dbraw/zinc/91/81/05/1181918105.db2.gz OWBQROVHVAYUBR-ZDUSSCGKSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@H](CCC[NH2+]CCC1CC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001725413229 1181992861 /nfs/dbraw/zinc/99/28/61/1181992861.db2.gz VIJOITKCNGICSX-CQSZACIVSA-N 2 0 293.455 1.757 10 0 CDAERP COCCC[NH2+][C@H](C)CN(C)C(=O)C(C)(C)c1cnc[nH]1 ZINC001725513130 1182030990 /nfs/dbraw/zinc/03/09/90/1182030990.db2.gz GHHHHEYWNQPPEA-GFCCVEGCSA-N 2 0 296.415 1.160 10 0 CDAERP CC(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001725584602 1182062861 /nfs/dbraw/zinc/06/28/61/1182062861.db2.gz CPRCOZFNWZONAZ-CHWSQXEVSA-N 2 0 255.406 1.173 10 0 CDAERP CC[N@H+](CCN[C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)C(C)C ZINC000261975777 1182202329 /nfs/dbraw/zinc/20/23/29/1182202329.db2.gz RCPSYOOQAMBCBO-ARFHVFGLSA-N 2 0 283.460 1.463 10 0 CDAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC1=CCCCC1 ZINC001731618066 1182482436 /nfs/dbraw/zinc/48/24/36/1182482436.db2.gz NNIIMWBQSKDKKV-CABCVRRESA-N 2 0 293.455 1.923 10 0 CDAERP CC[NH+](CC)CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001731817086 1182604208 /nfs/dbraw/zinc/60/42/08/1182604208.db2.gz WVCAIHQCIOXDAM-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+]C[C@@H]1CCO[C@H](C)C1 ZINC001731987231 1182715406 /nfs/dbraw/zinc/71/54/06/1182715406.db2.gz BWMTXYNZLQPPSO-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)C(C)C ZINC001732008089 1182724311 /nfs/dbraw/zinc/72/43/11/1182724311.db2.gz WDOIKMQVWYYGBK-HNNXBMFYSA-N 2 0 283.460 1.953 10 0 CDAERP CC[NH2+]CC[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001732286290 1182895343 /nfs/dbraw/zinc/89/53/43/1182895343.db2.gz DIVOQIVCKJHORV-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP CCC[NH2+]CCC1CCN(C(=O)Cc2ncc[nH]2)CC1 ZINC001732299417 1182898883 /nfs/dbraw/zinc/89/88/83/1182898883.db2.gz MADIPTAHJWTDEP-UHFFFAOYSA-N 2 0 278.400 1.581 10 0 CDAERP O=C(CC[NH+]1CCCCC1)N1CCC[C@@H]1C[NH2+]CCCF ZINC001732330021 1182907210 /nfs/dbraw/zinc/90/72/10/1182907210.db2.gz GCOTVHUIADDFDJ-OAHLLOKOSA-N 2 0 299.434 1.803 10 0 CDAERP CC(C)CCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001732336568 1182912640 /nfs/dbraw/zinc/91/26/40/1182912640.db2.gz GLEYKUIYVPVYDB-GJZGRUSLSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@@H](C[NH2+]C/C=C\Cl)N(C)C(=O)CC[NH+](C)C ZINC001732438749 1182966371 /nfs/dbraw/zinc/96/63/71/1182966371.db2.gz XNDRJFWBOGFBHZ-XOIDGJRKSA-N 2 0 261.797 1.127 10 0 CDAERP CCCCC[N@H+](C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001732596708 1183038395 /nfs/dbraw/zinc/03/83/95/1183038395.db2.gz QZYZMIIXWVPVQJ-UHFFFAOYSA-N 2 0 281.444 1.663 10 0 CDAERP COCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001732734503 1183102984 /nfs/dbraw/zinc/10/29/84/1183102984.db2.gz RLZDTEYHXBUNNN-GJZGRUSLSA-N 2 0 299.459 1.380 10 0 CDAERP CCN(CC[NH2+]CCF)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001732806761 1183132517 /nfs/dbraw/zinc/13/25/17/1183132517.db2.gz IUBUNBFJRDRNRD-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N[C@H](C[NH2+]CCF)C2CC2)CC1 ZINC001733185991 1183322774 /nfs/dbraw/zinc/32/27/74/1183322774.db2.gz BMOJFGOVPPWEPV-OAHLLOKOSA-N 2 0 299.434 1.561 10 0 CDAERP O=C(NCC1([NH2+]CCCF)CC1)C12CCC[NH+](CCC1)C2 ZINC001733247683 1183369174 /nfs/dbraw/zinc/36/91/74/1183369174.db2.gz RBSVFHHOUDFEHZ-UHFFFAOYSA-N 2 0 297.418 1.460 10 0 CDAERP C[NH+](C)CC1(C(=O)N2CCC[C@H]2C[NH2+]CCCF)CC1 ZINC001733349422 1183405562 /nfs/dbraw/zinc/40/55/62/1183405562.db2.gz SHSFUCHIKLKJSX-ZDUSSCGKSA-N 2 0 285.407 1.268 10 0 CDAERP CCOCCC[NH+]1CCC(C)(NC(=O)CC[NH+](C)C)CC1 ZINC001733360277 1183409248 /nfs/dbraw/zinc/40/92/48/1183409248.db2.gz QBAZINALWMIWKW-UHFFFAOYSA-N 2 0 299.459 1.335 10 0 CDAERP CCC[NH2+]CC[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001733664178 1183493322 /nfs/dbraw/zinc/49/33/22/1183493322.db2.gz QFWCTNXSNKEKIO-CQSZACIVSA-N 2 0 281.444 1.566 10 0 CDAERP CCOCCC[NH2+][C@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001733991538 1183605007 /nfs/dbraw/zinc/60/50/07/1183605007.db2.gz SNHSFPRFIOUTML-ZIAGYGMSSA-N 2 0 299.459 1.238 10 0 CDAERP CCC[NH2+]CC(C)(C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001734020087 1183615556 /nfs/dbraw/zinc/61/55/56/1183615556.db2.gz KMQOCMKQUAQXLC-AWEZNQCLSA-N 2 0 283.460 1.812 10 0 CDAERP O=C(N[C@H]1C[C@H](C[NH2+]CCCF)C1)C12CCC[NH+]1CCC2 ZINC001734212204 1183692464 /nfs/dbraw/zinc/69/24/64/1183692464.db2.gz LXPQUZLOSLYKDP-HDJSIYSDSA-N 2 0 297.418 1.459 10 0 CDAERP C[C@@H](CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CCCF ZINC001734341901 1183740050 /nfs/dbraw/zinc/74/00/50/1183740050.db2.gz AFRXXPJDSXTVOI-STQMWFEESA-N 2 0 273.396 1.124 10 0 CDAERP CCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001734432263 1183777279 /nfs/dbraw/zinc/77/72/79/1183777279.db2.gz LWPPTRWRPSFOTA-UONOGXRCSA-N 2 0 267.417 1.461 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]CCF)C1 ZINC001734482722 1183782113 /nfs/dbraw/zinc/78/21/13/1183782113.db2.gz OPRVLJKWEDWVQB-STQMWFEESA-N 2 0 273.396 1.172 10 0 CDAERP CCCC[NH2+]C[C@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001734483885 1183795967 /nfs/dbraw/zinc/79/59/67/1183795967.db2.gz XEVMDZHKHMMMNC-UONOGXRCSA-N 2 0 269.433 1.613 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCOCC[NH2+]C(C)C ZINC001734617085 1183847247 /nfs/dbraw/zinc/84/72/47/1183847247.db2.gz JTAKBTNFNVGHMX-OAHLLOKOSA-N 2 0 299.459 1.334 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001322089892 960077776 /nfs/dbraw/zinc/07/77/76/960077776.db2.gz VTPQOWADSWKKKX-OLZOCXBDSA-N 2 0 257.422 1.467 10 0 CDAERP CC(C)CNC(=O)[C@H](C)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866703519 1164811764 /nfs/dbraw/zinc/81/17/64/1164811764.db2.gz IRAPUCYOXLNEHZ-BBRMVZONSA-N 2 0 283.460 1.844 10 0 CDAERP CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)C1 ZINC000872143060 1165383867 /nfs/dbraw/zinc/38/38/67/1165383867.db2.gz KKKAKLGJGYPDDT-BYNSBNAKSA-N 2 0 252.402 1.733 10 0 CDAERP Cn1nnnc1C1CC[NH+](CCCCCCC[NH3+])CC1 ZINC000872146532 1165384769 /nfs/dbraw/zinc/38/47/69/1165384769.db2.gz PWRTVFGECBJJPC-UHFFFAOYSA-N 2 0 280.420 1.299 10 0 CDAERP C[NH+](C)Cc1cccc(NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)c1 ZINC000715138362 783626813 /nfs/dbraw/zinc/62/68/13/783626813.db2.gz LVPOQEPDZLSTRZ-RYUDHWBXSA-N 2 0 283.322 1.527 10 0 CDAERP CN1CC[N@H+](CC[C@H]2CCC[NH2+]C2)Cc2cccnc21 ZINC000866727509 783716523 /nfs/dbraw/zinc/71/65/23/783716523.db2.gz MTSWHEKKGHNQHW-CQSZACIVSA-N 2 0 274.412 1.723 10 0 CDAERP [NH3+]CCCCCCC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000841848243 783758529 /nfs/dbraw/zinc/75/85/29/783758529.db2.gz DSBONVYGMPZEGP-ZDUSSCGKSA-N 2 0 253.390 1.249 10 0 CDAERP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000713012492 783802770 /nfs/dbraw/zinc/80/27/70/783802770.db2.gz BTVQPLBVXRBOED-DGCLKSJQSA-N 2 0 269.433 1.595 10 0 CDAERP CC(C)C[C@@H](CNC(=[NH2+])NC[C@@H]1CCCO1)[NH+](C)C ZINC000066245041 783806511 /nfs/dbraw/zinc/80/65/11/783806511.db2.gz ORYLVZOBEZCXLR-STQMWFEESA-N 2 0 270.421 1.046 10 0 CDAERP CCCCCC[C@H](O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931479966 783815185 /nfs/dbraw/zinc/81/51/85/783815185.db2.gz ICZXLFRNJOCLNQ-HNNXBMFYSA-N 2 0 286.460 1.706 10 0 CDAERP CCC[NH+]1CCC(C[NH2+]C[C@H](O)c2ccccn2)CC1 ZINC000853097324 783849572 /nfs/dbraw/zinc/84/95/72/783849572.db2.gz BVMORBKOPYWXQU-INIZCTEOSA-N 2 0 277.412 1.827 10 0 CDAERP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925817181 783862722 /nfs/dbraw/zinc/86/27/22/783862722.db2.gz ODBGQHTWGDSBHW-KGLIPLIRSA-N 2 0 253.434 1.824 10 0 CDAERP C1[C@H]([NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)C12CC[NH2+]CC2 ZINC000925703108 783866951 /nfs/dbraw/zinc/86/69/51/783866951.db2.gz CDBYSGBNLDJGPP-YJNKXOJESA-N 2 0 264.413 1.923 10 0 CDAERP C1C[C@@H]2C[C@H]([NH2+][C@@H]3CCC[NH2+]CC3)CC[C@@H]2CO1 ZINC000723648593 783870123 /nfs/dbraw/zinc/87/01/23/783870123.db2.gz VYQCRLKJAJHNKV-KBUPBQIOSA-N 2 0 252.402 1.923 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925508259 783983614 /nfs/dbraw/zinc/98/36/14/783983614.db2.gz PSDWALHZZNQRAZ-BARDWOONSA-N 2 0 265.445 1.966 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)[C@@H]([NH3+])CC(F)F)C1 ZINC000870994120 783999953 /nfs/dbraw/zinc/99/99/53/783999953.db2.gz NHNGEUJBZNXMTA-ZANVPECISA-N 2 0 277.359 1.192 10 0 CDAERP CS(=O)(=O)CCCC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000706550508 784054338 /nfs/dbraw/zinc/05/43/38/784054338.db2.gz SZYTXMGLFCZARQ-AWEZNQCLSA-N 2 0 288.457 1.275 10 0 CDAERP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@H]1CCC3(CCC3)O1)C2 ZINC000712524046 784060791 /nfs/dbraw/zinc/06/07/91/784060791.db2.gz QAQOCRQEQSJPQV-XDQVBPFNSA-N 2 0 250.386 1.900 10 0 CDAERP CCOc1cccc([C@H](C)[NH2+]CCOCC[NH2+]C)c1 ZINC000863542116 784076353 /nfs/dbraw/zinc/07/63/53/784076353.db2.gz GCUFIOJORZFDLA-ZDUSSCGKSA-N 2 0 266.385 1.972 10 0 CDAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@@H]1C[NH2+]C[C@H]1C ZINC000394258993 784184743 /nfs/dbraw/zinc/18/47/43/784184743.db2.gz JSFMBXGVJKDXBS-BARDWOONSA-N 2 0 251.418 1.401 10 0 CDAERP CNC(NCc1ccccc1C[NH+]1CCCCC1)=[NH+]C ZINC000057887320 784215723 /nfs/dbraw/zinc/21/57/23/784215723.db2.gz VDOYDJLUFIEQMA-UHFFFAOYSA-N 2 0 274.412 1.967 10 0 CDAERP Cc1cncc(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)c1 ZINC000923442324 784219033 /nfs/dbraw/zinc/21/90/33/784219033.db2.gz BAJCLUQOCKSIBG-HNNXBMFYSA-N 2 0 275.396 1.720 10 0 CDAERP C[C@H](CN1CCCC1=O)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925501904 784270106 /nfs/dbraw/zinc/27/01/06/784270106.db2.gz CTFRQBDCUIVANC-AGIUHOORSA-N 2 0 267.417 1.493 10 0 CDAERP C[NH+](C)C1(C)CCC([NH2+]C[C@H](O)c2ccccn2)CC1 ZINC000872229418 784323073 /nfs/dbraw/zinc/32/30/73/784323073.db2.gz QOAFVPFUBALSHV-SIWZUTFBSA-N 2 0 277.412 1.968 10 0 CDAERP C[C@H](CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)[NH+]1CCC(C)CC1 ZINC000870874436 784388026 /nfs/dbraw/zinc/38/80/26/784388026.db2.gz BIHOUGPJXBHGQQ-NYTXWWLZSA-N 2 0 279.428 1.350 10 0 CDAERP CC[NH+](CC)CC(=O)N1CC[NH+]([C@@H](C)C2CC2)CC1 ZINC000782183186 784464158 /nfs/dbraw/zinc/46/41/58/784464158.db2.gz ISFLIEZXAAZUOO-ZDUSSCGKSA-N 2 0 267.417 1.271 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@H]1C[C@@H](OC(C)(C)C)C1 ZINC000849046285 784558252 /nfs/dbraw/zinc/55/82/52/784558252.db2.gz PBSXDABODWGAGP-MELADBBJSA-N 2 0 296.459 1.931 10 0 CDAERP CN(C(=O)CC[NH2+]CC1CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000870922509 784568655 /nfs/dbraw/zinc/56/86/55/784568655.db2.gz HERLWKTUSXIDRI-AWEZNQCLSA-N 2 0 265.401 1.071 10 0 CDAERP C[C@@H]1CN(CC(=O)N[C@H]2CCCC[C@H]2C)C[C@H]1C[NH3+] ZINC000723854863 784630981 /nfs/dbraw/zinc/63/09/81/784630981.db2.gz NMVVVCXDEFHKIB-SYQHCUMBSA-N 2 0 267.417 1.208 10 0 CDAERP C[C@H]1C[N@H+](CCOC2CC2)CCN1c1cc[nH+]cc1 ZINC000931684415 784670033 /nfs/dbraw/zinc/67/00/33/784670033.db2.gz QUGDZZAFKZKUTI-ZDUSSCGKSA-N 2 0 261.369 1.771 10 0 CDAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)OCCC(F)(F)F ZINC000866730220 784705452 /nfs/dbraw/zinc/70/54/52/784705452.db2.gz IPQABMAMCLBPRG-UHFFFAOYSA-N 2 0 299.337 1.501 10 0 CDAERP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925791451 784750607 /nfs/dbraw/zinc/75/06/07/784750607.db2.gz PZMVKTDQRJMNNY-RDBSUJKOSA-N 2 0 275.396 1.849 10 0 CDAERP CC(C)[C@H]1COCC[C@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000926357914 784768350 /nfs/dbraw/zinc/76/83/50/784768350.db2.gz SBBPYXBVOWEVHF-HZPDHXFCSA-N 2 0 297.487 1.663 10 0 CDAERP [NH3+]C[C@H]1c2ccccc2CCN1CCC[NH2+]C1CC1 ZINC000923384350 784841060 /nfs/dbraw/zinc/84/10/60/784841060.db2.gz FZXYPIKFEGALIG-INIZCTEOSA-N 2 0 259.397 1.687 10 0 CDAERP Cc1cnc(C[NH+]2CCC(C(C)(C)C[NH3+])CC2)cn1 ZINC000714399438 784854807 /nfs/dbraw/zinc/85/48/07/784854807.db2.gz ONWWWAXCSDMAIR-UHFFFAOYSA-N 2 0 262.401 1.982 10 0 CDAERP [NH3+]CC1(Cc2nc(-c3ccn4c[nH+]cc4c3)no2)CC1 ZINC000823168022 784866139 /nfs/dbraw/zinc/86/61/39/784866139.db2.gz PZLRBNCQFPGGIG-UHFFFAOYSA-N 2 0 269.308 1.666 10 0 CDAERP CC(C)(C)[NH+]1CCC(NC(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000846137852 784879208 /nfs/dbraw/zinc/87/92/08/784879208.db2.gz RMRNXHPQIUWUNU-UHFFFAOYSA-N 2 0 296.459 1.678 10 0 CDAERP CC1(C)C[C@@H]([NH2+]CCC[C@@H]2CCOC2=O)C[C@@H]([NH3+])C1 ZINC000925731578 784894661 /nfs/dbraw/zinc/89/46/61/784894661.db2.gz UJPNNBPQTVFORT-UPJWGTAASA-N 2 0 268.401 1.825 10 0 CDAERP O=C(CCC12CC(C1)C[NH2+]2)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870973438 784896542 /nfs/dbraw/zinc/89/65/42/784896542.db2.gz WEFLWQQIQGCMCD-AAZPWRTGSA-N 2 0 277.412 1.165 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCN1CCOCC1(C)C ZINC000924936798 784904722 /nfs/dbraw/zinc/90/47/22/784904722.db2.gz UIIADTAYJPBXHW-YIONKMFJSA-N 2 0 281.444 1.027 10 0 CDAERP C(C[NH2+]C1CC1)CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000923327696 784914479 /nfs/dbraw/zinc/91/44/79/784914479.db2.gz HDEAYVOUHIMMLZ-HIFRSBDPSA-N 2 0 251.418 1.593 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000094754757 784922817 /nfs/dbraw/zinc/92/28/17/784922817.db2.gz JURZLZZHFQBSKE-ZNMIVQPWSA-N 2 0 281.444 1.837 10 0 CDAERP COCc1ccc(C[NH+]2CCC(O)(C[NH+](C)C)CC2)cc1 ZINC000931480659 784934988 /nfs/dbraw/zinc/93/49/88/784934988.db2.gz IJOZCOXNPCZONI-UHFFFAOYSA-N 2 0 292.423 1.722 10 0 CDAERP Cc1nc(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)oc1C ZINC000923452127 784943134 /nfs/dbraw/zinc/94/31/34/784943134.db2.gz RWBCLYAOPHBHNO-CYBMUJFWSA-N 2 0 279.384 1.621 10 0 CDAERP C[N@@H+]1CCN(C(=O)CC[NH2+]C2CC2)CCC1(C)C ZINC000712671918 784988358 /nfs/dbraw/zinc/98/83/58/784988358.db2.gz DKCDKINRRPOYFR-UHFFFAOYSA-N 2 0 253.390 1.071 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)C1 ZINC000872300126 785283879 /nfs/dbraw/zinc/28/38/79/785283879.db2.gz UELUFHWABKXCEO-KLZNWCGWSA-N 2 0 285.391 1.287 10 0 CDAERP C[C@]12C[NH2+]C[C@H]1CN(CCC[NH+]1CCCCC1)C2 ZINC000702076807 785288200 /nfs/dbraw/zinc/28/82/00/785288200.db2.gz NWWSCJFBBJOCCH-LSDHHAIUSA-N 2 0 251.418 1.404 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cccc(C[NH3+])c2)C1 ZINC000848432277 785292330 /nfs/dbraw/zinc/29/23/30/785292330.db2.gz XLZXARWFCJJDNL-XBXGTLAGSA-N 2 0 261.369 1.215 10 0 CDAERP CC1(CC[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)OCCO1 ZINC000925638268 785325128 /nfs/dbraw/zinc/32/51/28/785325128.db2.gz ADLCAJDXRSJOOP-VXGBXAGGSA-N 2 0 256.390 1.635 10 0 CDAERP CC(=O)NCC1CCC([NH2+][C@H](C)CN(C)C(C)C)CC1 ZINC000866361754 785328553 /nfs/dbraw/zinc/32/85/53/785328553.db2.gz UBJVOISTZFBINH-IUDNXUCKSA-N 2 0 283.460 2.000 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2ccc(F)cn2)C1 ZINC000818985376 785458605 /nfs/dbraw/zinc/45/86/05/785458605.db2.gz RZSJEMBZVWZIPK-CZUORRHYSA-N 2 0 295.402 1.964 10 0 CDAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000925327678 785530862 /nfs/dbraw/zinc/53/08/62/785530862.db2.gz QSPHHGZPORENKR-RDBSUJKOSA-N 2 0 282.432 1.062 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000864061608 785550874 /nfs/dbraw/zinc/55/08/74/785550874.db2.gz IITTUJUWJIPZDD-UHFFFAOYSA-N 2 0 279.428 1.415 10 0 CDAERP COCCCCC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870023248 785594640 /nfs/dbraw/zinc/59/46/40/785594640.db2.gz QHIGADIBGYGALS-HUUCEWRRSA-N 2 0 299.459 1.001 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)C1CC[NH+](C)CC1 ZINC000866534738 785640440 /nfs/dbraw/zinc/64/04/40/785640440.db2.gz YCZBQNKWODXTLS-HOCLYGCPSA-N 2 0 296.455 1.892 10 0 CDAERP CC(C)C(=O)N1CC[NH+](CCCCCCC[NH3+])CC1 ZINC000842471694 785672912 /nfs/dbraw/zinc/67/29/12/785672912.db2.gz TVYYUQOGAVLRHK-UHFFFAOYSA-N 2 0 269.433 1.696 10 0 CDAERP C[C@@H]1C[N@H+](CCOCCOc2ccccc2)CC[C@H]1C[NH3+] ZINC000923499991 785765647 /nfs/dbraw/zinc/76/56/47/785765647.db2.gz PUAQVKRIZXNHMZ-CVEARBPZSA-N 2 0 292.423 1.999 10 0 CDAERP C[C@@H]1C[N@H+](CCCN[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CCCO1 ZINC000925651505 785768049 /nfs/dbraw/zinc/76/80/49/785768049.db2.gz DSIRLUHWQNFJFX-BZUAXINKSA-N 2 0 297.487 1.983 10 0 CDAERP [NH3+]CCCOC1CC[NH+](C[C@@H]2C[C@H]3CCC[C@H]3O2)CC1 ZINC000720887459 785771202 /nfs/dbraw/zinc/77/12/02/785771202.db2.gz FIPLBTWKIGYJAX-VNQPRFMTSA-N 2 0 282.428 1.774 10 0 CDAERP CC[NH+](CC)CC(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000870991576 785805048 /nfs/dbraw/zinc/80/50/48/785805048.db2.gz LGFJRXPDIVYSTE-OAHLLOKOSA-N 2 0 269.433 1.552 10 0 CDAERP CC(C)[C@@H]1COCC[C@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000925215806 785809975 /nfs/dbraw/zinc/80/99/75/785809975.db2.gz PGCVLBLYCOKGNV-DLBZAZTESA-N 2 0 297.487 1.663 10 0 CDAERP CCOCCOCC[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000923429031 785824663 /nfs/dbraw/zinc/82/46/63/785824663.db2.gz WPBIVCPCESODDK-OAHLLOKOSA-N 2 0 270.417 1.505 10 0 CDAERP O=c1cc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc[nH]1 ZINC000921861242 785825665 /nfs/dbraw/zinc/82/56/65/785825665.db2.gz WWQJAGYRAGWNNV-LSDHHAIUSA-N 2 0 291.395 1.255 10 0 CDAERP CSC1(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)CCOCC1 ZINC000925573333 785834078 /nfs/dbraw/zinc/83/40/78/785834078.db2.gz NARRDIOOWIYWFA-RYUDHWBXSA-N 2 0 270.442 1.758 10 0 CDAERP COCCN1CCC([NH2+][C@@H]2[C@@H](C)COC[C@H]2C)CC1 ZINC000924788332 785864439 /nfs/dbraw/zinc/86/44/39/785864439.db2.gz MFDSNYYCASYQOG-NHAGDIPZSA-N 2 0 270.417 1.358 10 0 CDAERP COCC[N@H+](C[C@H]1CCCN1C)CC1CC[NH+](C)CC1 ZINC000879125480 785885307 /nfs/dbraw/zinc/88/53/07/785885307.db2.gz CQNKHRIEEFBSJQ-MRXNPFEDSA-N 2 0 283.460 1.371 10 0 CDAERP CC[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)C1CCC1 ZINC000925849896 785891658 /nfs/dbraw/zinc/89/16/58/785891658.db2.gz RPECJNIOACIVNI-ZIAGYGMSSA-N 2 0 280.412 1.840 10 0 CDAERP COC[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)C(C)C ZINC000925780403 786004040 /nfs/dbraw/zinc/00/40/40/786004040.db2.gz FPSVSPLCYSJLAX-QWRGUYRKSA-N 2 0 250.333 1.492 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@H](O)c2c(F)cccc2F)C1 ZINC000848675934 786029972 /nfs/dbraw/zinc/02/99/72/786029972.db2.gz FZYSTOFNOUYBPU-WDMOLILDSA-N 2 0 284.350 1.928 10 0 CDAERP CC(C)[C@@H](F)C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000855346425 786033845 /nfs/dbraw/zinc/03/38/45/786033845.db2.gz BGRZYFVWJZNTSW-QWHCGFSZSA-N 2 0 275.412 1.369 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1CC[C@H](C(F)(F)F)O1)[C@H]1CC[NH2+]C1 ZINC000722392685 786070654 /nfs/dbraw/zinc/07/06/54/786070654.db2.gz DFLXDXVEPKBHBA-XWLWVQCSSA-N 2 0 266.307 1.684 10 0 CDAERP CCOCCOCCN(C)C1(C[NH3+])CCCCC1 ZINC000923423135 786080944 /nfs/dbraw/zinc/08/09/44/786080944.db2.gz QJTGOFKWFAJZIH-UHFFFAOYSA-N 2 0 258.406 1.633 10 0 CDAERP [NH3+]CC[C@@H]1CCCN(C(=O)CCC23CC(C2)C[NH2+]3)C1 ZINC000870942680 786094061 /nfs/dbraw/zinc/09/40/61/786094061.db2.gz SBBRNFYRJDKQCX-OPFPJEHXSA-N 2 0 265.401 1.106 10 0 CDAERP C[C@H]1C[C@H](NC(=O)CCC23CC(C2)C[NH2+]3)C[N@@H+]1C1CC1 ZINC000870928352 786192785 /nfs/dbraw/zinc/19/27/85/786192785.db2.gz FDWLYBGTCFIMLQ-AJAZOQAWSA-N 2 0 277.412 1.260 10 0 CDAERP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@@H]1CC(=O)N(CC3CC3)C1)[NH2+]2 ZINC000716764828 786214695 /nfs/dbraw/zinc/21/46/95/786214695.db2.gz HEGKFFYQVOYGGN-COWZWYNKSA-N 2 0 277.412 1.116 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@H]2CCCc3occc32)CC1 ZINC000925809941 786221301 /nfs/dbraw/zinc/22/13/01/786221301.db2.gz CFEQRRFUUXVDCM-AWEZNQCLSA-N 2 0 263.385 1.670 10 0 CDAERP C[C@@H](C(=O)NC1CCCC1)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723895665 786263204 /nfs/dbraw/zinc/26/32/04/786263204.db2.gz YJDJPHDSXGDUTQ-FRRDWIJNSA-N 2 0 267.417 1.350 10 0 CDAERP C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925857195 786347894 /nfs/dbraw/zinc/34/78/94/786347894.db2.gz ULIGZIFHJYQRKL-FRRDWIJNSA-N 2 0 266.385 1.450 10 0 CDAERP c1ccn2c(c1)nnc2CC[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000924576196 786384564 /nfs/dbraw/zinc/38/45/64/786384564.db2.gz YYMQMUFZPSXPQS-LSDHHAIUSA-N 2 0 299.422 1.878 10 0 CDAERP C[C@H]1[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCN1C ZINC000719599385 786389627 /nfs/dbraw/zinc/38/96/27/786389627.db2.gz LAARNFGJMIFPRS-BBRMVZONSA-N 2 0 274.412 1.733 10 0 CDAERP CN(C[C@H](O)C[NH+]1CCCC1)C1(C[NH3+])CCCCC1 ZINC000312044793 786456073 /nfs/dbraw/zinc/45/60/73/786456073.db2.gz YKHYQIUCFQLXGW-AWEZNQCLSA-N 2 0 269.433 1.037 10 0 CDAERP CC[NH2+]CC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000844166581 786635898 /nfs/dbraw/zinc/63/58/98/786635898.db2.gz FDUQKIZKZSRDMK-UHFFFAOYSA-N 2 0 289.423 1.898 10 0 CDAERP CCOCCOCC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925875743 786656959 /nfs/dbraw/zinc/65/69/59/786656959.db2.gz VSSGYSZNJLGSPR-QWHCGFSZSA-N 2 0 258.406 1.535 10 0 CDAERP [NH3+]CCC[C@@H](NC(=O)C=C1CC[NH2+]CC1)c1ccccc1 ZINC000852890417 786746813 /nfs/dbraw/zinc/74/68/13/786746813.db2.gz JWLCGISKBFSHHH-MRXNPFEDSA-N 2 0 287.407 1.893 10 0 CDAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872288998 786761551 /nfs/dbraw/zinc/76/15/51/786761551.db2.gz VYEXWAXRBSAMHR-QNWHQSFQSA-N 2 0 253.390 1.008 10 0 CDAERP COC(=O)C1=CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000858469824 786809675 /nfs/dbraw/zinc/80/96/75/786809675.db2.gz ABFMHSSBKTYAIU-GBJTYRQASA-N 2 0 278.396 1.711 10 0 CDAERP C[NH+](C)CCC1CC[NH+](Cc2ccc(N)nn2)CC1 ZINC000703981188 786816023 /nfs/dbraw/zinc/81/60/23/786816023.db2.gz MIHXIOIVWNUPTP-UHFFFAOYSA-N 2 0 263.389 1.223 10 0 CDAERP CC1(C)CCC[C@H](CN2CCC[C@@]([NH3+])(CO)C2)O1 ZINC000923474326 786860772 /nfs/dbraw/zinc/86/07/72/786860772.db2.gz RPADVXOMTHQUBC-OCCSQVGLSA-N 2 0 256.390 1.120 10 0 CDAERP Cc1cc([C@H]([NH3+])CC(=O)N[C@@]2(C)CC[NH2+]C2)cc(Cl)n1 ZINC000852929262 786876739 /nfs/dbraw/zinc/87/67/39/786876739.db2.gz YWZRGUJGURWKEW-RISCZKNCSA-N 2 0 296.802 1.302 10 0 CDAERP CCC(C)(C)[NH+]1CCN(CCC[NH2+]C2CC2)CC1 ZINC000923391308 786927768 /nfs/dbraw/zinc/92/77/68/786927768.db2.gz XNVUGNBNVWDMIT-UHFFFAOYSA-N 2 0 253.434 1.935 10 0 CDAERP COC[C@H](O)CC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925626827 787037390 /nfs/dbraw/zinc/03/73/90/787037390.db2.gz RTJAJODNMYBEMC-ILXRZTDVSA-N 2 0 270.417 1.142 10 0 CDAERP CC1(C)C[NH2+]CC[C@@H](NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000872274626 787098925 /nfs/dbraw/zinc/09/89/25/787098925.db2.gz CBNSRVSOMNXYIG-JHJVBQTASA-N 2 0 267.417 1.398 10 0 CDAERP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923326849 787106313 /nfs/dbraw/zinc/10/63/13/787106313.db2.gz NVZPHLLKCSPCAQ-JKSUJKDBSA-N 3 0 293.455 1.029 10 0 CDAERP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925843877 787236348 /nfs/dbraw/zinc/23/63/48/787236348.db2.gz HMGSQXZQRPFZOQ-NVXWUHKLSA-N 2 0 294.487 1.134 10 0 CDAERP CC(C)COCC[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923450440 787301836 /nfs/dbraw/zinc/30/18/36/787301836.db2.gz GSGYNOIZQFAWRK-AWEZNQCLSA-N 2 0 270.417 1.489 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)CCOc1cccc(F)c1 ZINC000863552869 787366303 /nfs/dbraw/zinc/36/63/03/787366303.db2.gz XZYJYFTZQQJRNN-UHFFFAOYSA-N 2 0 270.348 1.372 10 0 CDAERP C[C@@H]1CC[C@H](C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)O1 ZINC000923443589 787455865 /nfs/dbraw/zinc/45/58/65/787455865.db2.gz GCKHERYTGDVTNL-MGPQQGTHSA-N 2 0 268.401 1.384 10 0 CDAERP CC1(C)OC[C@@H](CCN2CCC([N@@H+]3CC[C@H](O)C3)CC2)O1 ZINC000852707338 787525201 /nfs/dbraw/zinc/52/52/01/787525201.db2.gz GNUBSETZUAQTSV-LSDHHAIUSA-N 2 0 298.427 1.059 10 0 CDAERP C[C@]12C[C@H]1CCC[C@H]2[NH2+]CCN1CCC([NH3+])CC1 ZINC000925817653 787550219 /nfs/dbraw/zinc/55/02/19/787550219.db2.gz UWRCMKXWWKELLN-YUELXQCFSA-N 2 0 251.418 1.578 10 0 CDAERP O[C@H](C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)C1CC1 ZINC000838898643 787672664 /nfs/dbraw/zinc/67/26/64/787672664.db2.gz OMBRXBCVZCKPLK-CWRNSKLLSA-N 2 0 264.413 1.706 10 0 CDAERP C(C[NH2+][C@H]1CC[NH2+]C12CCCC2)C[C@@H]1CCC[NH2+]1 ZINC000925712468 787809633 /nfs/dbraw/zinc/80/96/33/787809633.db2.gz VHAYHTAXKRZRSV-KBPBESRZSA-N 3 0 251.418 1.783 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](C(C)(C)O)C1 ZINC000721863586 787811533 /nfs/dbraw/zinc/81/15/33/787811533.db2.gz PPMLUUQHQRJKFR-KBPBESRZSA-N 2 0 254.418 1.954 10 0 CDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H]2CCC=CO2)CC1 ZINC000193903380 787813593 /nfs/dbraw/zinc/81/35/93/787813593.db2.gz UUNNPPNLTFXKMK-ZBFHGGJFSA-N 2 0 282.428 1.704 10 0 CDAERP C[C@H]1CCCN(C(=O)C[N@H+](C)CCCCCC[NH3+])C1 ZINC000710818973 787822926 /nfs/dbraw/zinc/82/29/26/787822926.db2.gz NWXNDNJIYGDCOD-AWEZNQCLSA-N 2 0 269.433 1.696 10 0 CDAERP CON(C)C(=O)CC[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000799120614 787827787 /nfs/dbraw/zinc/82/77/87/787827787.db2.gz NPDRYZRMPZDXBQ-UHFFFAOYSA-N 2 0 285.432 1.449 10 0 CDAERP C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923298161 787834728 /nfs/dbraw/zinc/83/47/28/787834728.db2.gz SNOPTBSVMOOXRF-AWEZNQCLSA-N 2 0 264.344 1.636 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925791554 787843576 /nfs/dbraw/zinc/84/35/76/787843576.db2.gz AZFXHPAHWSDDAN-MWQQHZPXSA-N 3 0 279.472 1.990 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1CCC(OC)CC1 ZINC000849011542 787876133 /nfs/dbraw/zinc/87/61/33/787876133.db2.gz GFRPSMBFRAZDQZ-SHARSMKWSA-N 2 0 296.459 1.790 10 0 CDAERP Cn1cnc(CCC[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)n1 ZINC000925704671 787878670 /nfs/dbraw/zinc/87/86/70/787878670.db2.gz IQWRZGAQLRANRV-VXGBXAGGSA-N 2 0 265.405 1.243 10 0 CDAERP C(C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)OC1CC1 ZINC000711785107 787889089 /nfs/dbraw/zinc/88/90/89/787889089.db2.gz GVMKQDSGNZSDBD-CQSZACIVSA-N 2 0 252.402 1.877 10 0 CDAERP CCN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923480377 787927811 /nfs/dbraw/zinc/92/78/11/787927811.db2.gz XWQAEKJEHYRBJS-JTQLQIEISA-N 2 0 281.322 1.068 10 0 CDAERP Cc1cc(N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nc(N)[nH+]1 ZINC000396331974 788045173 /nfs/dbraw/zinc/04/51/73/788045173.db2.gz FULLWCPYIHTKOI-CQSZACIVSA-N 2 0 297.406 1.908 10 0 CDAERP C[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@@](C)(C(F)F)O1 ZINC000718013426 788134618 /nfs/dbraw/zinc/13/46/18/788134618.db2.gz KLMGWJYKBYOXHV-NOHGZBONSA-N 2 0 262.344 1.858 10 0 CDAERP CN(CCC[NH+](C)C)CCNC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC000880669177 788154958 /nfs/dbraw/zinc/15/49/58/788154958.db2.gz DBIRUYVJJNVUNZ-GJZGRUSLSA-N 2 0 281.444 1.422 10 0 CDAERP C(C1CC1)[C@H]1COCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000923551624 788208328 /nfs/dbraw/zinc/20/83/28/788208328.db2.gz BCCJWHJUQQTROI-UONOGXRCSA-N 2 0 266.385 1.008 10 0 CDAERP CCN(C(=O)NCC[NH+](CC)C(C)C)[C@H]1CC[N@H+](CC)C1 ZINC000853638939 788282353 /nfs/dbraw/zinc/28/23/53/788282353.db2.gz DOIBQOGYHIQIOE-HNNXBMFYSA-N 2 0 298.475 1.842 10 0 CDAERP O=C([C@@H]1CC[C@H]2CCCC[C@H]2[NH2+]1)N1CCC[NH2+]CC1 ZINC000250873133 788327503 /nfs/dbraw/zinc/32/75/03/788327503.db2.gz STMYWXXZLWWAGQ-MCIONIFRSA-N 2 0 265.401 1.119 10 0 CDAERP C([C@@H]1CC[C@H](C2CC2)O1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515053 788332804 /nfs/dbraw/zinc/33/28/04/788332804.db2.gz BJSABDRAVGIVRR-LJISPDSOSA-N 2 0 250.386 1.485 10 0 CDAERP CCC(C)(C)[NH+]1CCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC1 ZINC000870951070 788364286 /nfs/dbraw/zinc/36/42/86/788364286.db2.gz VQJUBQXGKJVCRZ-WWGRRREGSA-N 2 0 279.428 1.447 10 0 CDAERP CCOC(=O)[C@@H]1C[C@H]1C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000929722186 788446310 /nfs/dbraw/zinc/44/63/10/788446310.db2.gz LAZVIYJILPGAKU-RRFJBIMHSA-N 2 0 282.428 1.992 10 0 CDAERP C([NH2+]C1CCC2(CC1)OCCO2)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925847441 788616854 /nfs/dbraw/zinc/61/68/54/788616854.db2.gz VQEOWYLSZYQDBW-HUUCEWRRSA-N 2 0 280.412 1.794 10 0 CDAERP CCC(C)(C)CC[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866713984 788684622 /nfs/dbraw/zinc/68/46/22/788684622.db2.gz CFJXLMCYGNIVQK-MJBXVCDLSA-N 2 0 295.427 1.680 10 0 CDAERP Cn1nc(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)cc1Cl ZINC000923447464 788774066 /nfs/dbraw/zinc/77/40/66/788774066.db2.gz UDIDMXKZBRZJDL-LBPRGKRZSA-N 2 0 298.818 1.403 10 0 CDAERP Cc1cc(N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc[nH+]1 ZINC000720869141 788864141 /nfs/dbraw/zinc/86/41/41/788864141.db2.gz CQPRXZVFTOOQRT-GXSJLCMTSA-N 2 0 259.275 1.963 10 0 CDAERP C[C@H](CNC(=[NH2+])NCCC1CC1)C[NH+]1CCCC1 ZINC000864454796 788873708 /nfs/dbraw/zinc/87/37/08/788873708.db2.gz VJYRGUKLGZDSSA-GFCCVEGCSA-N 2 0 252.406 1.632 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCCNC(=O)C2CCC2)C1 ZINC000925574499 788880538 /nfs/dbraw/zinc/88/05/38/788880538.db2.gz BMNKONHCARNNAH-UONOGXRCSA-N 2 0 281.444 1.788 10 0 CDAERP CC1(C)[C@@H]([NH2+]CCCN2CCOC2=O)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925479768 788885821 /nfs/dbraw/zinc/88/58/21/788885821.db2.gz SPUJWEBLIYPZEP-AGIUHOORSA-N 2 0 281.400 1.195 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N(C1CC1)C1CC[NH2+]CC1 ZINC000852792854 788891540 /nfs/dbraw/zinc/89/15/40/788891540.db2.gz GNTXWROEGOKLFY-UHFFFAOYSA-N 2 0 263.385 1.039 10 0 CDAERP C[NH+](C)C1(C)CCC([NH2+]C[C@H](O)C[C@@](C)(O)C2CC2)CC1 ZINC000872228333 788893189 /nfs/dbraw/zinc/89/31/89/788893189.db2.gz HAJZTSPLCQDPDP-MNAZLIDISA-N 2 0 298.471 1.751 10 0 CDAERP COC(CC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1)OC ZINC000852762369 788897382 /nfs/dbraw/zinc/89/73/82/788897382.db2.gz LCWHGMSEDDURCN-ZDUSSCGKSA-N 2 0 274.405 1.038 10 0 CDAERP CSC1CC([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)C1 ZINC000926687131 789014278 /nfs/dbraw/zinc/01/42/78/789014278.db2.gz VKJTXINIOSUKIL-HSBZDZAISA-N 2 0 273.490 1.742 10 0 CDAERP Cc1ccccc1[C@H](O)C[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000819034827 789018073 /nfs/dbraw/zinc/01/80/73/789018073.db2.gz SARFRPRTXPLUKO-DOTOQJQBSA-N 2 0 291.439 1.254 10 0 CDAERP C(CC[NH2+][C@@H]1CN2C[C@@H]1CCC2)CC[NH+]1CCCC1 ZINC000926485774 789103560 /nfs/dbraw/zinc/10/35/60/789103560.db2.gz ABUPRXAFAHSHKQ-JKSUJKDBSA-N 2 0 265.445 1.936 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1N[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925779496 789213597 /nfs/dbraw/zinc/21/35/97/789213597.db2.gz JWOBUETWZCBQJE-REBRKWNGSA-N 2 0 251.418 1.352 10 0 CDAERP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C=C1CC[NH2+]CC1 ZINC000852792768 789315329 /nfs/dbraw/zinc/31/53/29/789315329.db2.gz BYKMGTJWKRXBAG-YPMHNXCESA-N 2 0 251.374 1.025 10 0 CDAERP CC(C)S(=O)(=O)CCC[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723893954 789318605 /nfs/dbraw/zinc/31/86/05/789318605.db2.gz HDZKAMPKFZUTFB-CHWSQXEVSA-N 2 0 276.446 1.116 10 0 CDAERP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)CC[NH2+]CC1CC1 ZINC000720900183 789326831 /nfs/dbraw/zinc/32/68/31/789326831.db2.gz QGRNTZGIGXDIMI-UONOGXRCSA-N 2 0 265.401 1.071 10 0 CDAERP CCOCC[C@H](O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000923327708 789338640 /nfs/dbraw/zinc/33/86/40/789338640.db2.gz HOJHNRVXYWXUSK-SOUVJXGZSA-N 2 0 270.417 1.238 10 0 CDAERP C[NH+](C)[C@H]1CCCN(C(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852884510 789354916 /nfs/dbraw/zinc/35/49/16/789354916.db2.gz KGRJIXYHWCBXLD-AWEZNQCLSA-N 2 0 265.401 1.239 10 0 CDAERP COCCC[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925784805 789501258 /nfs/dbraw/zinc/50/12/58/789501258.db2.gz SJOUNMFDMNVENP-GHMZBOCLSA-N 2 0 250.333 1.636 10 0 CDAERP COC[C@]1(c2nc(-c3ccn4c[nH+]cc4c3)no2)CC[NH2+]C1 ZINC000823163985 789536350 /nfs/dbraw/zinc/53/63/50/789536350.db2.gz NQVNMOGFSCASEO-HNNXBMFYSA-N 2 0 299.334 1.262 10 0 CDAERP C[C@@H](CN[C@@H]1CC[NH2+]C12CCC2)C[NH+]1CCCC1 ZINC000925480833 789589224 /nfs/dbraw/zinc/58/92/24/789589224.db2.gz NVWYBSVVQHVPAH-UONOGXRCSA-N 2 0 251.418 1.593 10 0 CDAERP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000713031689 789720032 /nfs/dbraw/zinc/72/00/32/789720032.db2.gz YXMXVRXQWHDNOU-CHWSQXEVSA-N 2 0 267.417 1.303 10 0 CDAERP CC(C)n1cc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cn1 ZINC000723899496 789806269 /nfs/dbraw/zinc/80/62/69/789806269.db2.gz BZVHWATZHBRVLO-TZMCWYRMSA-N 2 0 250.390 1.881 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001412339707 1166733669 /nfs/dbraw/zinc/73/36/69/1166733669.db2.gz ZPKKRXIWUCIPPW-UONOGXRCSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](C)CC1(C)C)[NH+](C)C ZINC001639135039 1166902891 /nfs/dbraw/zinc/90/28/91/1166902891.db2.gz CGHJHUZTODRWNB-NEPJUHHUSA-N 2 0 255.406 1.029 10 0 CDAERP CCN(CC[NH2+]C[C@@H]1CCOC1)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001568749049 1167542667 /nfs/dbraw/zinc/54/26/67/1167542667.db2.gz BSPIJEZOJJYYCP-GJZGRUSLSA-N 2 0 299.459 1.047 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](C(C)C)CC1(C)C ZINC001440629289 1167714127 /nfs/dbraw/zinc/71/41/27/1167714127.db2.gz ZRPJSXOGDKUFTB-AWEZNQCLSA-N 2 0 283.460 1.952 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC=C(C)C)[C@@H]1C)[NH+](C)C ZINC001566109293 1168237817 /nfs/dbraw/zinc/23/78/17/1168237817.db2.gz GSQVMJAIMAXOEO-ILXRZTDVSA-N 2 0 281.444 1.872 10 0 CDAERP C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)Cc1cccnc1 ZINC001566439940 1168272072 /nfs/dbraw/zinc/27/20/72/1168272072.db2.gz WLTSVFWDNMKGFH-HNNXBMFYSA-N 2 0 290.411 1.114 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CC[C@H]2C[NH+](C)C[C@H]21 ZINC001646954350 1168285617 /nfs/dbraw/zinc/28/56/17/1168285617.db2.gz VNSSVWSFOFYFSE-GBJTYRQASA-N 2 0 294.443 1.110 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001483677628 912603347 /nfs/dbraw/zinc/60/33/47/912603347.db2.gz WSQRSWHDXGAVPH-CHWSQXEVSA-N 2 0 285.407 1.267 10 0 CDAERP CCC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001266339754 894447060 /nfs/dbraw/zinc/44/70/60/894447060.db2.gz XCOVKBLLPPFNJR-IDTUSYRASA-N 2 0 281.444 1.875 10 0 CDAERP C[NH+](CC(=O)NCC[N@@H+](C)CC1CC(C)(C)C1)C1CCC1 ZINC001480873309 894836083 /nfs/dbraw/zinc/83/60/83/894836083.db2.gz CMRHHQOZZSWKFF-UHFFFAOYSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+](C)C ZINC001266499102 895074812 /nfs/dbraw/zinc/07/48/12/895074812.db2.gz PABKMQDMXQAZTE-GASCZTMLSA-N 2 0 281.444 1.804 10 0 CDAERP CCCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001266520446 895207222 /nfs/dbraw/zinc/20/72/22/895207222.db2.gz NIPVQSWOBIDXBR-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP COc1ccc(C[NH2+]CCN(C)C(=O)CC[NH+](C)C)cc1 ZINC001266826930 896137850 /nfs/dbraw/zinc/13/78/50/896137850.db2.gz BTMKIOLIFVVOSU-UHFFFAOYSA-N 2 0 293.411 1.195 10 0 CDAERP COc1cc2c(cc1OC)C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)CC2 ZINC000693563821 896672500 /nfs/dbraw/zinc/67/25/00/896672500.db2.gz XGMVJICUVLILEE-VDISTLRHSA-N 2 0 276.380 1.799 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001267174189 897005240 /nfs/dbraw/zinc/00/52/40/897005240.db2.gz KSWPVMYKVOQHOC-CABCVRRESA-N 2 0 281.444 1.851 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001267181938 897035561 /nfs/dbraw/zinc/03/55/61/897035561.db2.gz QSBDYYLUUBIZPQ-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](C(=O)NC[C@H]1CCC[N@@H+]1C(C)C)[NH+](C)C ZINC001267270653 897424160 /nfs/dbraw/zinc/42/41/60/897424160.db2.gz KXUAAAOEZTWBFO-CHWSQXEVSA-N 2 0 255.406 1.316 10 0 CDAERP Cc1nc(CC[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)cs1 ZINC000405211008 897565737 /nfs/dbraw/zinc/56/57/37/897565737.db2.gz CRNCZBBJOBFPMK-RYUDHWBXSA-N 2 0 251.399 1.854 10 0 CDAERP CN(CC[NH2+]CC[C@H]1CCCO1)C(=O)C1([NH+](C)C)CCC1 ZINC001267384292 897827489 /nfs/dbraw/zinc/82/74/89/897827489.db2.gz PTIGDOABVWSISL-CQSZACIVSA-N 2 0 297.443 1.088 10 0 CDAERP COC(=O)[C@H](CC(C)C)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000695122927 898926928 /nfs/dbraw/zinc/92/69/28/898926928.db2.gz MYFFLNKIZOMHHH-AWEZNQCLSA-N 2 0 270.417 1.848 10 0 CDAERP O=C(NCC[N@H+](CC1CC1)C1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001481170077 899040822 /nfs/dbraw/zinc/04/08/22/899040822.db2.gz CRSGPYXXLQMNGI-MRXNPFEDSA-N 2 0 291.439 1.319 10 0 CDAERP O[C@@H](C[NH2+][C@@H]1CCCC2(CC2)C1)C[NH+]1CCCC1 ZINC000695696183 899768519 /nfs/dbraw/zinc/76/85/19/899768519.db2.gz CZFNYVBLTZTDEQ-KGLIPLIRSA-N 2 0 252.402 1.756 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N(C)CC[NH2+]CC2CC2)CC[N@@H+]1C ZINC001481271667 899808351 /nfs/dbraw/zinc/80/83/51/899808351.db2.gz HJNKDHSMTLUDQR-JSGCOSHPSA-N 2 0 267.417 1.175 10 0 CDAERP C[N@H+](CC(=O)NC1(C[NH2+]CCCF)CCCC1)C1CCC1 ZINC001267838551 899850113 /nfs/dbraw/zinc/85/01/13/899850113.db2.gz LFKXIAKYTXNCQG-UHFFFAOYSA-N 2 0 299.434 1.849 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N[C@@](C)(C[NH2+]CCC2CC2)C2CC2)C1 ZINC001267865711 899904621 /nfs/dbraw/zinc/90/46/21/899904621.db2.gz YPOBFMZFOCXCGG-YOEHRIQHSA-N 2 0 293.455 1.613 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CC[C@H]([NH2+]CCCF)CC2)C1 ZINC001267933083 900002539 /nfs/dbraw/zinc/00/25/39/900002539.db2.gz CFKFMMDZLQEBBZ-KKUMJFAQSA-N 2 0 299.434 1.705 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001267962978 900091631 /nfs/dbraw/zinc/09/16/31/900091631.db2.gz DBWXLBQBCCJGNR-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001268014029 900297318 /nfs/dbraw/zinc/29/73/18/900297318.db2.gz JIBXDHQYWQVRKN-KGLIPLIRSA-N 2 0 269.433 1.470 10 0 CDAERP CO[C@H](C)C[NH2+][C@H](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001481343530 900461277 /nfs/dbraw/zinc/46/12/77/900461277.db2.gz UQKBEPSNPMWMRL-ZIAGYGMSSA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001481464220 900795351 /nfs/dbraw/zinc/79/53/51/900795351.db2.gz JNHGBGWHGKHAHO-JKSUJKDBSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001268069370 901097788 /nfs/dbraw/zinc/09/77/88/901097788.db2.gz WHSKNQLEKWYHAG-AWEZNQCLSA-N 2 0 281.444 1.873 10 0 CDAERP CC(C)C[C@H](C[NH2+]CCC1CC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001268116127 901330380 /nfs/dbraw/zinc/33/03/80/901330380.db2.gz GOQFZVAYUGFJIG-JKSUJKDBSA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1CC[NH2+]CCF ZINC001268165325 901477046 /nfs/dbraw/zinc/47/70/46/901477046.db2.gz FLZQCNQMMNXQIY-CQSZACIVSA-N 2 0 287.423 1.657 10 0 CDAERP CC[C@H](CNC(=O)Cn1cncc1C)[NH2+]CC=C(C)C ZINC001481836413 902194095 /nfs/dbraw/zinc/19/40/95/902194095.db2.gz ZHVFGHQXXXZMAB-CQSZACIVSA-N 2 0 278.400 1.642 10 0 CDAERP C[NH+](C)CCCC(=O)N1CCC[C@@H](CC[NH2+]CC2CC2)C1 ZINC001481983201 902431931 /nfs/dbraw/zinc/43/19/31/902431931.db2.gz RBYBQKZAXWTEHL-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001482109968 902651949 /nfs/dbraw/zinc/65/19/49/902651949.db2.gz LAUBHXTUYONHFI-HUUCEWRRSA-N 2 0 283.460 1.859 10 0 CDAERP CCOCC[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001268583027 902671867 /nfs/dbraw/zinc/67/18/67/902671867.db2.gz RZXDLDFECKPTBF-LUNKNMTDSA-N 2 0 297.443 1.015 10 0 CDAERP CC[C@@H](C)C[NH2+]CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001268836215 903170428 /nfs/dbraw/zinc/17/04/28/903170428.db2.gz NJVRIFJOHBJFOJ-CQSZACIVSA-N 2 0 283.460 1.812 10 0 CDAERP CC[C@@H](C)C[NH2+]CCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001268847925 903178061 /nfs/dbraw/zinc/17/80/61/903178061.db2.gz ORRIEHBCNSCRNR-CABCVRRESA-N 2 0 283.460 1.812 10 0 CDAERP CC[C@H](C)C[NH+]1CC(N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001269876509 904173613 /nfs/dbraw/zinc/17/36/13/904173613.db2.gz UFERXETYEFSGDH-AWEZNQCLSA-N 2 0 283.460 1.907 10 0 CDAERP CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CCC1CC1)[NH+](C)C ZINC001270166406 904409455 /nfs/dbraw/zinc/40/94/55/904409455.db2.gz WBPQSCCDNHIZDS-CABCVRRESA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H](NC(=O)CC[NH+]1CCCCC1)[C@@H](C)[NH2+]CC1CC1 ZINC001422448250 904450396 /nfs/dbraw/zinc/45/03/96/904450396.db2.gz MIUHEDXOOTUUBM-ZIAGYGMSSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)=CC[NH+]1CC(CNC(=O)CCCC[NH+](C)C)C1 ZINC001567845544 1169012525 /nfs/dbraw/zinc/01/25/25/1169012525.db2.gz APCNEROTPZZYDN-UHFFFAOYSA-N 2 0 281.444 1.733 10 0 CDAERP C[C@@H](C[NH2+]CCCF)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482353251 905176338 /nfs/dbraw/zinc/17/63/38/905176338.db2.gz GEDIFCJPLXKZFO-QWHCGFSZSA-N 2 0 273.396 1.124 10 0 CDAERP CC(C)C[C@@H](C[NH2+]CCF)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001482383662 905278195 /nfs/dbraw/zinc/27/81/95/905278195.db2.gz ACBDWKFNZBWCRK-LSDHHAIUSA-N 2 0 299.434 1.418 10 0 CDAERP COCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001567913629 1169062769 /nfs/dbraw/zinc/06/27/69/1169062769.db2.gz GCMJCXHVHOUOLU-HUUCEWRRSA-N 2 0 297.443 1.040 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)CC[NH+](C)CC1CCCC1 ZINC001482644308 908112336 /nfs/dbraw/zinc/11/23/36/908112336.db2.gz ROYIAXOZEXWXMY-UHFFFAOYSA-N 2 0 283.460 1.909 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C/C=C\Cl)C1 ZINC001482665181 908157488 /nfs/dbraw/zinc/15/74/88/908157488.db2.gz ZAWMVBPJFKQQCW-ZCCGJTIKSA-N 2 0 299.846 1.613 10 0 CDAERP C[C@@H](CC[NH2+]C/C=C\Cl)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001482860081 908430510 /nfs/dbraw/zinc/43/05/10/908430510.db2.gz FDYYOSQKSHRDIR-PRTUSXBOSA-N 2 0 273.808 1.318 10 0 CDAERP C[C@@H](CC[NH2+]Cc1cncs1)NC(=O)C[NH+]1CCCC1 ZINC001482899445 908465843 /nfs/dbraw/zinc/46/58/43/908465843.db2.gz PPJGIYYPABEBJP-LBPRGKRZSA-N 2 0 296.440 1.223 10 0 CDAERP c1ccc(C[N@H+]2CC[C@H](CNC3=[NH+]CCCCN3)C2)cc1 ZINC000697668637 909171572 /nfs/dbraw/zinc/17/15/72/909171572.db2.gz AHOGORQGZCOJRJ-MRXNPFEDSA-N 2 0 286.423 1.838 10 0 CDAERP CCC[NH2+]C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001483129086 909695207 /nfs/dbraw/zinc/69/52/07/909695207.db2.gz PKXCNCSDPXMVCJ-CYBMUJFWSA-N 2 0 269.433 1.755 10 0 CDAERP Cn1cc(C[NH2+]C2CCC(C)([NH+](C)C)CC2)cn1 ZINC000715519060 910006689 /nfs/dbraw/zinc/00/66/89/910006689.db2.gz OUOMAYGBASWVEN-UHFFFAOYSA-N 2 0 250.390 1.773 10 0 CDAERP Cc1cc(C[NH2+][C@H](C)[C@H](C)NC(=O)CC[NH+](C)C)sn1 ZINC001409409488 910375643 /nfs/dbraw/zinc/37/56/43/910375643.db2.gz OGNAZGCSNPUYBK-NEPJUHHUSA-N 2 0 298.456 1.386 10 0 CDAERP C[C@H](NC(=O)Cc1cncn1C)[C@H](C)[NH2+]CCC1CC1 ZINC001409425616 910393544 /nfs/dbraw/zinc/39/35/44/910393544.db2.gz UTLOZDPJSQVPHL-RYUDHWBXSA-N 2 0 278.400 1.246 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccccn1 ZINC001409481318 910434276 /nfs/dbraw/zinc/43/42/76/910434276.db2.gz WTHKOLVETSKYTQ-ZIAGYGMSSA-N 2 0 292.427 1.405 10 0 CDAERP C[C@@H](C[NH2+]CC1CCC1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001483266210 910761201 /nfs/dbraw/zinc/76/12/01/910761201.db2.gz HBCVQUSXKXKRLX-STQMWFEESA-N 2 0 267.417 1.223 10 0 CDAERP C[C@H]1C[N@H+](CC(=O)Nc2cccc(F)c2)CC[C@@H]1C[NH3+] ZINC000165316964 911438188 /nfs/dbraw/zinc/43/81/88/911438188.db2.gz VIJHERRNSCYOCN-NWDGAFQWSA-N 2 0 279.359 1.681 10 0 CDAERP O=C(C[NH+]1CCCC1)NCC1([NH2+]CC2CCC2)CC1 ZINC001483790862 915067451 /nfs/dbraw/zinc/06/74/51/915067451.db2.gz NFBNWOMYESPFRB-UHFFFAOYSA-N 2 0 265.401 1.121 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]CCCF)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001483907887 915203578 /nfs/dbraw/zinc/20/35/78/915203578.db2.gz FSYYDUYCTRLVRQ-ZFWWWQNUSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)[NH2+]CC[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001484551791 915878352 /nfs/dbraw/zinc/87/83/52/915878352.db2.gz PTRBCHGMGOGRJX-AWEZNQCLSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001485069282 916455025 /nfs/dbraw/zinc/45/50/25/916455025.db2.gz LMZLVBYDJRXUSK-HOTGVXAUSA-N 2 0 295.471 1.907 10 0 CDAERP C[C@H](NC(=O)C[N@H+](C)C1CCC1)[C@H](C)[NH2+]CCC1CC1 ZINC001485158985 916614411 /nfs/dbraw/zinc/61/44/11/916614411.db2.gz UIZLABMWHHUMDK-STQMWFEESA-N 2 0 281.444 1.754 10 0 CDAERP CC/C=C\CC[NH2+]C[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001568203182 1169175376 /nfs/dbraw/zinc/17/53/76/1169175376.db2.gz YSEYEPDBNIWYTL-FOSCPCJNSA-N 2 0 293.455 1.780 10 0 CDAERP CC(C)[NH2+][C@H](C)[C@@H]1CN(C(=O)CCCC[NH+](C)C)CCO1 ZINC001485648384 917152053 /nfs/dbraw/zinc/15/20/53/917152053.db2.gz HUSCEZYSTFGDSK-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)[NH2+]CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001485739495 917233973 /nfs/dbraw/zinc/23/39/73/917233973.db2.gz UMQYRAVPJFMWTO-KGLIPLIRSA-N 2 0 269.433 1.611 10 0 CDAERP CC[NH2+][C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001485782489 917287286 /nfs/dbraw/zinc/28/72/86/917287286.db2.gz UVZWQNLVNAMPIW-OLZOCXBDSA-N 2 0 255.406 1.221 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001485918443 920575260 /nfs/dbraw/zinc/57/52/60/920575260.db2.gz BAICXUDYLNLOKO-HUUCEWRRSA-N 2 0 283.460 1.975 10 0 CDAERP CCOCC[N@H+]1CC=C(CNC(=O)C[NH+](C)C(C)C)CC1 ZINC001486521541 921095750 /nfs/dbraw/zinc/09/57/50/921095750.db2.gz DXAVYMBPIPZOCF-UHFFFAOYSA-N 2 0 297.443 1.111 10 0 CDAERP CC[NH+]1CC([C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001409960871 921964663 /nfs/dbraw/zinc/96/46/63/921964663.db2.gz CNUJXTCMHZIARP-UKRRQHHQSA-N 2 0 281.444 1.563 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC[C@H](C)F)C1 ZINC001491080022 936851661 /nfs/dbraw/zinc/85/16/61/936851661.db2.gz IFBWBLJZFRQYEE-RWMBFGLXSA-N 2 0 273.396 1.312 10 0 CDAERP CC1(C)CC[NH2+]CC[N@@H+]1C[C@H](O)Cc1ccccc1 ZINC000923413158 923816709 /nfs/dbraw/zinc/81/67/09/923816709.db2.gz DUEOCOCAJIJBSK-OAHLLOKOSA-N 2 0 262.397 1.664 10 0 CDAERP C[C@@H](CC[NH2+]Cc1nccs1)NC(=O)C[NH+]1CCCC1 ZINC001273182703 923892269 /nfs/dbraw/zinc/89/22/69/923892269.db2.gz CCSMHLLIQREZLZ-LBPRGKRZSA-N 2 0 296.440 1.223 10 0 CDAERP CC(C)=CC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001568362922 1169262741 /nfs/dbraw/zinc/26/27/41/1169262741.db2.gz MGKKJESFSJUADV-CABCVRRESA-N 2 0 281.444 1.731 10 0 CDAERP CCCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001491456314 936919513 /nfs/dbraw/zinc/91/95/13/936919513.db2.gz GMYKAIQUHNNEPG-YNEHKIRRSA-N 2 0 255.406 1.221 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC001141937536 936956005 /nfs/dbraw/zinc/95/60/05/936956005.db2.gz CPTCXTJPCXQAAW-YPMHNXCESA-N 2 0 255.406 1.031 10 0 CDAERP CCCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001568411585 1169277529 /nfs/dbraw/zinc/27/75/29/1169277529.db2.gz GNOUXTNPSLILCX-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP CCC[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001490204088 927004385 /nfs/dbraw/zinc/00/43/85/927004385.db2.gz DRYTUQOUGXVYPU-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP CO[C@@H](C)C[NH+]1CCC(N(C)C(=O)C[N@H+](C)C(C)C)CC1 ZINC001490425390 927175209 /nfs/dbraw/zinc/17/52/09/927175209.db2.gz SUBRQXMTNWOXQF-AWEZNQCLSA-N 2 0 299.459 1.284 10 0 CDAERP O=C1CC[C@@H](C[NH+]2CCC(C[NH+]3CCCC3)CC2)O1 ZINC000851727592 927611690 /nfs/dbraw/zinc/61/16/90/927611690.db2.gz RQBKBTFMEHLFTQ-AWEZNQCLSA-N 2 0 266.385 1.500 10 0 CDAERP CCCCCC[C@](O)(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)C(=O)OC ZINC000851732654 927615090 /nfs/dbraw/zinc/61/50/90/927615090.db2.gz WNEDCGUQSNBSFV-DZKIICNBSA-N 2 0 298.427 1.012 10 0 CDAERP CC[C@H](NC[C@]12OCCC[C@H]1C2(F)F)[C@@H]1CCC[NH2+]1 ZINC000854228859 928173318 /nfs/dbraw/zinc/17/33/18/928173318.db2.gz DTQIOWJGBUEZOQ-RVMXOQNASA-N 2 0 274.355 1.921 10 0 CDAERP CC[NH+](CC)CCN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693664739 937250415 /nfs/dbraw/zinc/25/04/15/937250415.db2.gz ASHBFLJAXXPHRP-HZSPNIEDSA-N 2 0 253.434 1.694 10 0 CDAERP CC[NH2+]C/C=C/CNC(=O)c1sccc1C[NH+](C)C ZINC001274075880 931160450 /nfs/dbraw/zinc/16/04/50/931160450.db2.gz IYPZLFXNCAJVAC-AATRIKPKSA-N 2 0 281.425 1.705 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N[C@H]2CCC[N@H+](C)C2)C1 ZINC001144807411 932033248 /nfs/dbraw/zinc/03/32/48/932033248.db2.gz HAOFJZCENQZINV-HZSPNIEDSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@@H]1C[C@H](C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)CC[NH2+]1 ZINC001117953923 937572782 /nfs/dbraw/zinc/57/27/82/937572782.db2.gz UILRYAUTSCLIQZ-ARJVPZMDSA-N 2 0 252.402 1.467 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001449013039 932253440 /nfs/dbraw/zinc/25/34/40/932253440.db2.gz GEUCGLKJNDPHQW-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc(CN(C)C)o1 ZINC001412510267 932461224 /nfs/dbraw/zinc/46/12/24/932461224.db2.gz WZNQEZBBPSEOCS-LBPRGKRZSA-N 2 0 281.400 1.801 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC001412712681 932656988 /nfs/dbraw/zinc/65/69/88/932656988.db2.gz LGSKPOJNWHELOX-GJZGRUSLSA-N 2 0 295.471 1.905 10 0 CDAERP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)[C@@H]2C[C@H]2C(=O)OC)C1 ZINC001118483214 937632600 /nfs/dbraw/zinc/63/26/00/937632600.db2.gz XJHVGOWHIVZNOV-YIYPIFLZSA-N 2 0 268.401 1.506 10 0 CDAERP C[C@H]1CCC[N@H+](CCN[C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925549068 932903360 /nfs/dbraw/zinc/90/33/60/932903360.db2.gz FATOYZJEDLIPRD-GJZGRUSLSA-N 2 0 265.445 1.983 10 0 CDAERP Cn1ccc(CC[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)n1 ZINC000925639158 932918922 /nfs/dbraw/zinc/91/89/22/932918922.db2.gz KESBCBILNYCIHQ-DGCLKSJQSA-N 2 0 250.390 1.458 10 0 CDAERP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925684929 932926663 /nfs/dbraw/zinc/92/66/63/932926663.db2.gz FAAWLDADKFHPGA-HZSPNIEDSA-N 3 0 251.418 1.578 10 0 CDAERP COC(=O)N(C)CC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925715047 932931627 /nfs/dbraw/zinc/93/16/27/932931627.db2.gz BTDXIEDGXKLSFE-WOPDTQHZSA-N 2 0 269.389 1.051 10 0 CDAERP CCn1ccnc1[C@H](C)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925847818 932946086 /nfs/dbraw/zinc/94/60/86/932946086.db2.gz WBGPUXKTVQXRHJ-HNNXBMFYSA-N 2 0 293.459 1.629 10 0 CDAERP O=C1O[C@@H](C[NH2+][C@H]2CCC23CCCC3)CC12CC[NH2+]CC2 ZINC000925850805 932946101 /nfs/dbraw/zinc/94/61/01/932946101.db2.gz QJGRVQOKAZQEOU-KGLIPLIRSA-N 2 0 292.423 1.984 10 0 CDAERP CO[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000687343724 934278889 /nfs/dbraw/zinc/27/88/89/934278889.db2.gz SWNWHQPXRPKNST-OWCLPIDISA-N 2 0 283.460 1.416 10 0 CDAERP Cc1nnc(CC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)s1 ZINC000405232563 940975147 /nfs/dbraw/zinc/97/51/47/940975147.db2.gz BQOFQLJWOGHHQE-VHSXEESVSA-N 2 0 252.387 1.249 10 0 CDAERP CCCCC[NH2+]CCN(CC)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001568743918 1169458332 /nfs/dbraw/zinc/45/83/32/1169458332.db2.gz UTENZYRFYOAZHN-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001498105412 973683953 /nfs/dbraw/zinc/68/39/53/973683953.db2.gz AAVVXYAPSIMIPO-RWMBFGLXSA-N 2 0 275.412 1.415 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)CC[NH+]1CC[C@H](F)C1 ZINC001362034189 970800765 /nfs/dbraw/zinc/80/07/65/970800765.db2.gz ZGUKOVULRQWGIA-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CCCC1 ZINC001362058363 970829870 /nfs/dbraw/zinc/82/98/70/970829870.db2.gz LDBXLTGQJGKVLK-UONOGXRCSA-N 2 0 279.428 1.604 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1CCC(C)C ZINC001276963696 941742843 /nfs/dbraw/zinc/74/28/43/941742843.db2.gz LHSGGLTXIMFLLA-CQSZACIVSA-N 2 0 269.433 1.565 10 0 CDAERP COCC[N@H+](CC1CC[NH+](C)CC1)C[C@H]1CCCC[C@H]1O ZINC001473703157 970834099 /nfs/dbraw/zinc/83/40/99/970834099.db2.gz YFEJQRNWQDWXKO-IAGOWNOFSA-N 2 0 298.471 1.828 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC001362064489 970836813 /nfs/dbraw/zinc/83/68/13/970836813.db2.gz QMZCAOWBKNAQEV-GOEBONIOSA-N 2 0 295.471 1.765 10 0 CDAERP CCN(CC[NH2+]C[C@H]1CCOC1)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001568772626 1169468951 /nfs/dbraw/zinc/46/89/51/1169468951.db2.gz BSPIJEZOJJYYCP-HUUCEWRRSA-N 2 0 299.459 1.047 10 0 CDAERP CC[N@H+](C)C[C@H](O)CN1C[C@]23C[NH+](C)C[C@@]2(C1)CCCC3 ZINC001473902074 970889115 /nfs/dbraw/zinc/88/91/15/970889115.db2.gz PWTKLCYOXHMSOG-YESZJQIVSA-N 2 0 295.471 1.107 10 0 CDAERP C[C@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC1CC1 ZINC001277863915 943885896 /nfs/dbraw/zinc/88/58/96/943885896.db2.gz SPYKGGZGSWTGHI-TZMCWYRMSA-N 2 0 267.417 1.317 10 0 CDAERP CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCOC)[NH+](C)C ZINC001264004777 944060488 /nfs/dbraw/zinc/06/04/88/944060488.db2.gz FCRAFPQRCLEKLX-ILXRZTDVSA-N 2 0 299.459 1.190 10 0 CDAERP CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H]1C ZINC001264727454 944170586 /nfs/dbraw/zinc/17/05/86/944170586.db2.gz LQMSXUICJXLKOF-HZSPNIEDSA-N 2 0 269.433 1.706 10 0 CDAERP CCC/C=C/CC[NH2+][C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001265852163 944541217 /nfs/dbraw/zinc/54/12/17/944541217.db2.gz WUOAPBASJSZMJU-LLYBFZRZSA-N 2 0 293.455 1.923 10 0 CDAERP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCCF)C1)[NH+](CC)CC ZINC001265928879 944578693 /nfs/dbraw/zinc/57/86/93/944578693.db2.gz VAHORBAGWCWHDL-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)=CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001279209586 944786831 /nfs/dbraw/zinc/78/68/31/944786831.db2.gz WRHZJWGTQZSMAP-NRXISQOPSA-N 2 0 279.428 1.626 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CCOCC)[C@H]1C ZINC001332217068 945945944 /nfs/dbraw/zinc/94/59/44/945945944.db2.gz FXEWONJTFOHSAW-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC[C@H](C)F)[C@@H]1C ZINC001479729117 971384451 /nfs/dbraw/zinc/38/44/51/971384451.db2.gz IZIIBAGGTHGTHI-MJBXVCDLSA-N 2 0 287.423 1.654 10 0 CDAERP C[N@H+](CCCNC(=O)CC1CC[NH+](C)CC1)CC1CCC1 ZINC001479800754 971427369 /nfs/dbraw/zinc/42/73/69/971427369.db2.gz UUTXZKUNUZVHFY-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)CC1 ZINC001362663415 971506258 /nfs/dbraw/zinc/50/62/58/971506258.db2.gz XHORHXVQCWMZEX-ZSHCYNCHSA-N 2 0 293.455 1.373 10 0 CDAERP C[C@@H](C(=O)N1CC[NH2+][C@@H](Cc2ccccc2)C1)n1ccnc1 ZINC001362774040 971609169 /nfs/dbraw/zinc/60/91/69/971609169.db2.gz SLBIXOSERSWQKW-HOCLYGCPSA-N 2 0 298.390 1.487 10 0 CDAERP CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001480383323 971696106 /nfs/dbraw/zinc/69/61/06/971696106.db2.gz OIKSRZDUGVMIEY-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]C(C)C ZINC001480471365 971745211 /nfs/dbraw/zinc/74/52/11/971745211.db2.gz FPGUNXUNVKFAHM-OLZOCXBDSA-N 2 0 255.406 1.364 10 0 CDAERP C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC1CC(C)(C)C1 ZINC001480808209 971886894 /nfs/dbraw/zinc/88/68/94/971886894.db2.gz DZTRMPIFNRMMMJ-HIFRSBDPSA-N 2 0 295.471 1.859 10 0 CDAERP CC[N@H+](CCNC(=O)C[NH+](C)C(C)C)C[C@H]1CC[C@H](C)O1 ZINC001493061502 971934575 /nfs/dbraw/zinc/93/45/75/971934575.db2.gz DZLUKFQZBARXDJ-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@]1(C)CC[NH+](CC2CC2)C1 ZINC001324672638 953511035 /nfs/dbraw/zinc/51/10/35/953511035.db2.gz JRNRQHMQXXSTCU-HNNXBMFYSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@H]1CN(C(=O)C2([NH+](C)C)CCCC2)CC[N@@H+](C2CC2)C1 ZINC001363168144 971941310 /nfs/dbraw/zinc/94/13/10/971941310.db2.gz VBNOHYAVXJXZMT-CQSZACIVSA-N 2 0 293.455 1.804 10 0 CDAERP CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)C(C)(C)C1 ZINC001363651240 953605573 /nfs/dbraw/zinc/60/55/73/953605573.db2.gz JYGIUAYTYITECG-KKUMJFAQSA-N 2 0 293.455 1.850 10 0 CDAERP CCCC[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001493129318 971956262 /nfs/dbraw/zinc/95/62/62/971956262.db2.gz AITUYMUGOSYGDF-ZDUSSCGKSA-N 2 0 255.406 1.319 10 0 CDAERP CCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001325475309 953920076 /nfs/dbraw/zinc/92/00/76/953920076.db2.gz LLEOOBPZTWYQON-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)C1 ZINC001363922395 954028419 /nfs/dbraw/zinc/02/84/19/954028419.db2.gz RRMNIVDGTVYWOB-FXUDXRNXSA-N 2 0 293.455 1.517 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CC[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001493213155 971986186 /nfs/dbraw/zinc/98/61/86/971986186.db2.gz ZATKMMVGTCVVSV-UONOGXRCSA-N 2 0 299.434 1.657 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC ZINC001325917892 954140236 /nfs/dbraw/zinc/14/02/36/954140236.db2.gz COCCIOZLFOCTMG-UONOGXRCSA-N 2 0 267.417 1.413 10 0 CDAERP C[NH2+][C@@H](C)CCNC(=O)C[C@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC001326001908 954178045 /nfs/dbraw/zinc/17/80/45/954178045.db2.gz RYPLVJYAXNBVAN-CABZTGNLSA-N 2 0 298.818 1.548 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CC2CC2)C1 ZINC001326225440 954275264 /nfs/dbraw/zinc/27/52/64/954275264.db2.gz TYBIIKOGUGXHIT-HUUCEWRRSA-N 2 0 279.428 1.319 10 0 CDAERP [NH3+][C@H](CNC(=O)[C@H]1CCCC[C@H]1[NH3+])c1ccccc1 ZINC001326281487 954298585 /nfs/dbraw/zinc/29/85/85/954298585.db2.gz BYGKMCNOSWSLLR-BFHYXJOUSA-N 2 0 261.369 1.320 10 0 CDAERP CC(C)[C@@H](C(=O)N1CC[C@@H](CC[NH2+]CC2CC2)C1)[NH+](C)C ZINC001326288228 954301131 /nfs/dbraw/zinc/30/11/31/954301131.db2.gz FEGZRUICBKMPSW-CVEARBPZSA-N 2 0 295.471 1.811 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)[C@H]([NH3+])C1CCCCC1 ZINC001326904768 954609853 /nfs/dbraw/zinc/60/98/53/954609853.db2.gz ACJQVKSHZLKVCG-OAHLLOKOSA-N 2 0 283.460 1.988 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCC1CC1)C2 ZINC001421511460 955386361 /nfs/dbraw/zinc/38/63/61/955386361.db2.gz DAXBCFMYAPJQBQ-XHSDSOJGSA-N 2 0 293.455 1.707 10 0 CDAERP C[C@@H](CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)C[NH+]1CCOCC1 ZINC001421556971 955407433 /nfs/dbraw/zinc/40/74/33/955407433.db2.gz JNHFINYGGJPTDV-IKGGRYGDSA-N 2 0 295.471 1.371 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]CC2CC2)C1 ZINC001421556473 955409425 /nfs/dbraw/zinc/40/94/25/955409425.db2.gz ZHQZKZRXSPUGJS-DZGCQCFKSA-N 2 0 281.444 1.563 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@@H]1CCC[C@H]([NH2+]C/C=C\Cl)C1 ZINC001491894228 955496253 /nfs/dbraw/zinc/49/62/53/955496253.db2.gz NHTVASSFNWCFOK-WREBYIDWSA-N 2 0 299.846 1.852 10 0 CDAERP CC(C)C[NH2+]C[C@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001421751378 955523855 /nfs/dbraw/zinc/52/38/55/955523855.db2.gz UVRQDWCOGMXTIE-AWEZNQCLSA-N 2 0 299.459 1.095 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001492444493 955894106 /nfs/dbraw/zinc/89/41/06/955894106.db2.gz VHPYCGCCMVVTSP-CYBMUJFWSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@@H]([NH2+]Cc1nccs1)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001422427930 955996885 /nfs/dbraw/zinc/99/68/85/955996885.db2.gz IIXFUSIGWSNXIA-NEPJUHHUSA-N 2 0 296.440 1.222 10 0 CDAERP CCCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001329613622 956021035 /nfs/dbraw/zinc/02/10/35/956021035.db2.gz PQLBRYIZPZZEGF-STQMWFEESA-N 2 0 255.406 1.175 10 0 CDAERP CC[NH2+]CC(C)(C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001422465055 956033231 /nfs/dbraw/zinc/03/32/31/956033231.db2.gz JIEKRDIVTCGYEZ-UHFFFAOYSA-N 2 0 283.460 1.955 10 0 CDAERP C[NH2+][C@@H](C)CCNC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC001329925344 956183773 /nfs/dbraw/zinc/18/37/73/956183773.db2.gz GSXNHSBGRHSDMI-FZMZJTMJSA-N 2 0 261.369 1.335 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC[C@@H]([NH+](C)CC)C1 ZINC001365641036 956258264 /nfs/dbraw/zinc/25/82/64/956258264.db2.gz QUASBJRNCPDCNL-LSDHHAIUSA-N 2 0 298.475 1.842 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1ccsc1 ZINC001422729567 956292314 /nfs/dbraw/zinc/29/23/14/956292314.db2.gz IEXWQMLRJDLNLO-LBPRGKRZSA-N 2 0 283.441 1.684 10 0 CDAERP CC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C1 ZINC001330245410 956342210 /nfs/dbraw/zinc/34/22/10/956342210.db2.gz RWBLJKOSGRVBAS-CYBMUJFWSA-N 2 0 269.433 1.565 10 0 CDAERP C[NH+](C)CCCC(=O)N1CCCCC[C@H]([NH2+]CCF)C1 ZINC001365882461 956420294 /nfs/dbraw/zinc/42/02/94/956420294.db2.gz DSOVZYLQDPWOCD-AWEZNQCLSA-N 2 0 287.423 1.659 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001365995456 956496634 /nfs/dbraw/zinc/49/66/34/956496634.db2.gz LKEAYYVCVYRJAF-STQMWFEESA-N 2 0 273.396 1.267 10 0 CDAERP C[NH2+]C[C@H](C)CNC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC001330585680 956497616 /nfs/dbraw/zinc/49/76/16/956497616.db2.gz ZKMGFGFRVGNXKK-SMDDNHRTSA-N 2 0 261.369 1.193 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]([NH2+]C/C=C/Cl)C2CC2)C1 ZINC001366055733 956534633 /nfs/dbraw/zinc/53/46/33/956534633.db2.gz MTNBPTKZZONNAB-NPXAJTFRSA-N 2 0 299.846 1.565 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]CC2CCC2)C2CC2)C1 ZINC001423060822 956551928 /nfs/dbraw/zinc/55/19/28/956551928.db2.gz OBVUXNPFJBCMPQ-GJZGRUSLSA-N 2 0 279.428 1.223 10 0 CDAERP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1ccsc1 ZINC001366284748 956712184 /nfs/dbraw/zinc/71/21/84/956712184.db2.gz IFOMUVKXIRWUMG-GFCCVEGCSA-N 2 0 295.452 1.827 10 0 CDAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1([NH2+]CC2CC2)CC1 ZINC001423309657 956718259 /nfs/dbraw/zinc/71/82/59/956718259.db2.gz XGVHGVAUDBRUFK-STQMWFEESA-N 2 0 279.428 1.508 10 0 CDAERP CC[C@H](C)C[NH2+][C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001366301653 956721950 /nfs/dbraw/zinc/72/19/50/956721950.db2.gz MZYFTLYVCDYOET-UONOGXRCSA-N 2 0 281.444 1.755 10 0 CDAERP CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]21 ZINC001423354996 956735357 /nfs/dbraw/zinc/73/53/57/956735357.db2.gz GKURJTZWUKQCHL-SOUVJXGZSA-N 2 0 293.455 1.565 10 0 CDAERP C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)CCC1CCCC1 ZINC001316865582 956769672 /nfs/dbraw/zinc/76/96/72/956769672.db2.gz NDSAMPSWWVSQDE-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]CC[C@H](C)F ZINC001366363742 956770767 /nfs/dbraw/zinc/77/07/67/956770767.db2.gz MFKMEBULJOBXPW-UONOGXRCSA-N 2 0 287.423 1.705 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@H](C[NH2+]CC2CC2)C(C)(C)C)C1 ZINC001423609979 956903242 /nfs/dbraw/zinc/90/32/42/956903242.db2.gz AKLDDXAXTHZLCB-LSDHHAIUSA-N 2 0 295.471 1.859 10 0 CDAERP CC[C@H](C(=O)N1CC[C@@](C)(C[NH2+]CC2CCC2)C1)[NH+](C)C ZINC001423630203 956913252 /nfs/dbraw/zinc/91/32/52/956913252.db2.gz GNYJASSDBZDRKF-WBVHZDCISA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001423747414 956964754 /nfs/dbraw/zinc/96/47/54/956964754.db2.gz GTAPXSNMLKLHKL-LBPRGKRZSA-N 2 0 291.386 1.420 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)CC2CCC2)CC[N@@H+]1C ZINC001316823353 956986630 /nfs/dbraw/zinc/98/66/30/956986630.db2.gz AZAREZCXZMWCDI-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[NH+]1CCCC1 ZINC001331355850 956988796 /nfs/dbraw/zinc/98/87/96/956988796.db2.gz VQQVZKPVTQAQQU-INIZCTEOSA-N 2 0 293.455 1.875 10 0 CDAERP CC[C@@H](C)C[N@H+](CC)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001366637434 957070373 /nfs/dbraw/zinc/07/03/73/957070373.db2.gz DCFZSAQTRWLSBM-HUUCEWRRSA-N 2 0 283.460 1.812 10 0 CDAERP CC(C)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001331455319 957071780 /nfs/dbraw/zinc/07/17/80/957071780.db2.gz MJSOQHHTZARGLX-MGPQQGTHSA-N 2 0 269.433 1.419 10 0 CDAERP CC[C@H](C)C[N@H+](CC)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001316909059 957115993 /nfs/dbraw/zinc/11/59/93/957115993.db2.gz LNWWZZPGVDIHBQ-GJZGRUSLSA-N 2 0 283.460 1.812 10 0 CDAERP CC(C)[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)c1ccccc1 ZINC001366799398 957190658 /nfs/dbraw/zinc/19/06/58/957190658.db2.gz XYANXGOLPXJJMO-INIZCTEOSA-N 2 0 289.423 1.938 10 0 CDAERP CC(C)OCC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001317242756 957374911 /nfs/dbraw/zinc/37/49/11/957374911.db2.gz RWSFVWLQYVRMJN-HUUCEWRRSA-N 2 0 299.459 1.379 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+]CCC(C)C)C1 ZINC001317338314 957429774 /nfs/dbraw/zinc/42/97/74/957429774.db2.gz GBJCDYSOMGKQLA-OAHLLOKOSA-N 2 0 283.460 1.812 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H]2C[NH+](CC)C[C@@H]2C1 ZINC001425383214 957524710 /nfs/dbraw/zinc/52/47/10/957524710.db2.gz OCFILQOCIMUSJT-HRCADAONSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](C(=O)N(C)CC[NH2+]CC[C@@H]1CCCCO1)[NH+](C)C ZINC001317631269 957610875 /nfs/dbraw/zinc/61/08/75/957610875.db2.gz XAOFDTTVOQELBM-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@@H]1[C@@H]([NH2+]CCC(C)(C)C)CCN1C(=O)CC[NH+](C)C ZINC001425881421 957632642 /nfs/dbraw/zinc/63/26/42/957632642.db2.gz KFHDGSZGUCSARU-KGLIPLIRSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001494841987 972321103 /nfs/dbraw/zinc/32/11/03/972321103.db2.gz NUPKIRBQAQDPEV-KBPBESRZSA-N 2 0 299.434 1.609 10 0 CDAERP CCOCC[NH2+][C@@H](CC)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001318563272 958174228 /nfs/dbraw/zinc/17/42/28/958174228.db2.gz VAAXGPNAZTZCEI-KKUMJFAQSA-N 2 0 299.459 1.238 10 0 CDAERP CC[NH2+]CC[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001318806361 958269126 /nfs/dbraw/zinc/26/91/26/958269126.db2.gz VEXOOHMGNOHCDS-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP CC[N@H+](C)[C@H]1CCN(C(=O)NC[C@H]2CCCC[NH+](C)C2)C1 ZINC001428352827 958541931 /nfs/dbraw/zinc/54/19/31/958541931.db2.gz HQYIGUDHTVWMAO-CABCVRRESA-N 2 0 296.459 1.454 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001368219076 958705113 /nfs/dbraw/zinc/70/51/13/958705113.db2.gz GPXYLYCHIGQLOW-QGZVFWFLSA-N 2 0 295.471 1.957 10 0 CDAERP CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001319833837 958747167 /nfs/dbraw/zinc/74/71/67/958747167.db2.gz UHOJGVBUPPEKDQ-UONOGXRCSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)CC[N@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001320081020 958926189 /nfs/dbraw/zinc/92/61/89/958926189.db2.gz SOEIUGNOTLXLGA-UHFFFAOYSA-N 2 0 269.433 1.519 10 0 CDAERP CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001368622948 959003091 /nfs/dbraw/zinc/00/30/91/959003091.db2.gz MPMKZZXYILHOIW-HOCLYGCPSA-N 2 0 299.459 1.070 10 0 CDAERP Cc1n[nH]c(=O)c(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)c1C ZINC001334390214 959077575 /nfs/dbraw/zinc/07/75/75/959077575.db2.gz MARYYWLFEZGNFA-VXGBXAGGSA-N 2 0 262.357 1.159 10 0 CDAERP C[C@@H](CC[NH2+]CC1CC1)NC(=O)CCn1ccnc1 ZINC001320513328 959212457 /nfs/dbraw/zinc/21/24/57/959212457.db2.gz SSPWRRARPHYCQA-LBPRGKRZSA-N 2 0 264.373 1.168 10 0 CDAERP CC(C)[C@H](C(=O)N[C@@H](C)CC[NH2+]CC1CC1)[NH+](C)C ZINC001320615513 959274603 /nfs/dbraw/zinc/27/46/03/959274603.db2.gz UFLDNHCDULKMDH-GXTWGEPZSA-N 2 0 269.433 1.467 10 0 CDAERP CC[N@H+](C)[C@H](C)CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001368974575 959346678 /nfs/dbraw/zinc/34/66/78/959346678.db2.gz CVUQXCMIORAQDX-IUODEOHRSA-N 2 0 287.423 1.655 10 0 CDAERP CC[C@H](C)C[NH2+]CCN(CC)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001320736774 959362075 /nfs/dbraw/zinc/36/20/75/959362075.db2.gz GJKRNEYVHRSFNI-GOEBONIOSA-N 2 0 295.471 1.812 10 0 CDAERP CC[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCCC1 ZINC001495161050 972430449 /nfs/dbraw/zinc/43/04/49/972430449.db2.gz UFMJRQSUKUKSHK-UONOGXRCSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[NH+]1CCCC1 ZINC001369217531 959534775 /nfs/dbraw/zinc/53/47/75/959534775.db2.gz BBGNNHVUDTTYCB-HNNXBMFYSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001321120439 959603577 /nfs/dbraw/zinc/60/35/77/959603577.db2.gz IZOHSBBRJGEHEK-GFUIURDCSA-N 2 0 253.390 1.141 10 0 CDAERP C[C@@H]1[C@@H]([NH2+]CCC(F)(F)F)CCN1C(=O)CC[NH+](C)C ZINC001369399047 959663330 /nfs/dbraw/zinc/66/33/30/959663330.db2.gz WBFDXLOOQGXMQY-MNOVXSKESA-N 2 0 295.349 1.470 10 0 CDAERP C[C@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1CC1CCC1 ZINC001369425841 959680932 /nfs/dbraw/zinc/68/09/32/959680932.db2.gz LIBYCYBVPKIXRW-ZFWWWQNUSA-N 2 0 281.444 1.707 10 0 CDAERP CCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1C ZINC001335384590 959764384 /nfs/dbraw/zinc/76/43/84/959764384.db2.gz ZNVROVTYOBEALQ-UONOGXRCSA-N 2 0 267.417 1.461 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001321513702 959827150 /nfs/dbraw/zinc/82/71/50/959827150.db2.gz FUYQWAWJRPPTKN-ZIAGYGMSSA-N 2 0 269.433 1.610 10 0 CDAERP CC(C)C[NH2+]C[C@@](C)(NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001495276047 972462905 /nfs/dbraw/zinc/46/29/05/972462905.db2.gz FIIAYJZOXSZYFU-RHSMWYFYSA-N 2 0 295.471 1.859 10 0 CDAERP CCC(CC)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001369844060 959892603 /nfs/dbraw/zinc/89/26/03/959892603.db2.gz NXPGURCAOAGVBU-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H](C[NH2+]CCc1cccs1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001321747522 959929861 /nfs/dbraw/zinc/92/98/61/959929861.db2.gz ZWAGRUIVWFKKPZ-CHWSQXEVSA-N 2 0 295.452 1.337 10 0 CDAERP COCCO[C@H]1CC[N@H+](Cc2[nH]c(C)nc2C)C1 ZINC001335888952 960081183 /nfs/dbraw/zinc/08/11/83/960081183.db2.gz AYCVQFOWJNTZFH-LBPRGKRZSA-N 2 0 253.346 1.264 10 0 CDAERP CC1CC[NH+](CCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001433611179 960445371 /nfs/dbraw/zinc/44/53/71/960445371.db2.gz GXUXYXQEQRTYKO-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[NH2+]C1(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001323617473 960864330 /nfs/dbraw/zinc/86/43/30/960864330.db2.gz XTESHQQDYMCLRU-CHWSQXEVSA-N 2 0 267.417 1.508 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001418706994 960926540 /nfs/dbraw/zinc/92/65/40/960926540.db2.gz XUXNMPGZTVYLGS-LXTVHRRPSA-N 2 0 299.434 1.561 10 0 CDAERP CC[C@H](C[N@@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)C)C1)OC ZINC001419145954 961425393 /nfs/dbraw/zinc/42/53/93/961425393.db2.gz GWLFZJCRPODRFD-HUUCEWRRSA-N 2 0 299.459 1.286 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]C[C@H](C)CC)C1 ZINC001419387381 961646337 /nfs/dbraw/zinc/64/63/37/961646337.db2.gz QZGUGGCDCVKARA-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]C[C@@H](C)CC)C1 ZINC001419387383 961651710 /nfs/dbraw/zinc/65/17/10/961651710.db2.gz QZGUGGCDCVKARA-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC[C@@H](C)F)C2)CC[N@@H+]1C ZINC001419402647 961661251 /nfs/dbraw/zinc/66/12/51/961661251.db2.gz ZYCOVNJWZZNMDB-ARILJUKYSA-N 2 0 299.434 1.702 10 0 CDAERP CCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001419614180 961867865 /nfs/dbraw/zinc/86/78/65/961867865.db2.gz DIZPCIJAVSPAOO-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP COC[C@@H](C)[NH2+]C[C@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001419625942 961877598 /nfs/dbraw/zinc/87/75/98/961877598.db2.gz QRZUPWBRKZSNFX-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP CCC(CC)C[NH2+]C[C@@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001419738080 962055721 /nfs/dbraw/zinc/05/57/21/962055721.db2.gz PGVKXNGYRTXYFV-CQSZACIVSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001436903052 962486879 /nfs/dbraw/zinc/48/68/79/962486879.db2.gz QIUVOOGXPHTAEZ-AJNGGQMLSA-N 2 0 299.434 1.846 10 0 CDAERP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cccnc1 ZINC001420162477 962514705 /nfs/dbraw/zinc/51/47/05/962514705.db2.gz NSCFFYZGXXJSJM-CQSZACIVSA-N 2 0 290.411 1.162 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCC(F)(F)F)C1 ZINC001436974141 962534315 /nfs/dbraw/zinc/53/43/15/962534315.db2.gz AGXYUSZXOBFULL-PHIMTYICSA-N 2 0 295.349 1.517 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCCCN1C(=O)Cn1ccnc1 ZINC001437057393 962579482 /nfs/dbraw/zinc/57/94/82/962579482.db2.gz NMRRLTNKSUHQRM-CQSZACIVSA-N 2 0 278.400 1.510 10 0 CDAERP CC(C)n1ccc(C[NH2+][C@H](C)CNC(=O)CC[NH+](C)C)n1 ZINC001437204013 962735271 /nfs/dbraw/zinc/73/52/71/962735271.db2.gz RXCBIDOADZEYJL-CYBMUJFWSA-N 2 0 295.431 1.010 10 0 CDAERP Cc1cc(C[NH2+][C@@H](C)CCNC(=O)[C@@H]2CCC[N@@H+]2C)no1 ZINC001437379113 962851023 /nfs/dbraw/zinc/85/10/23/962851023.db2.gz YFMSFXPKYPLSJD-FZMZJTMJSA-N 2 0 294.399 1.062 10 0 CDAERP Cc1cc(C[NH2+][C@H](C)CCNC(=O)C[NH+]2CCCC2)no1 ZINC001437423051 962873527 /nfs/dbraw/zinc/87/35/27/962873527.db2.gz PGFDBTSCBWLQAQ-GFCCVEGCSA-N 2 0 294.399 1.063 10 0 CDAERP CC(C)CCC[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001437485596 962950349 /nfs/dbraw/zinc/95/03/49/962950349.db2.gz VZGRPRFXMNCRKW-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@@H](C[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCCC1)OC ZINC001420490469 962968840 /nfs/dbraw/zinc/96/88/40/962968840.db2.gz BCNFZNRMWJWAEJ-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CCC[N@H+](C)CC(=O)NCC[NH+](C)C[C@H]1CC(C)(C)CO1 ZINC001437551643 963011768 /nfs/dbraw/zinc/01/17/68/963011768.db2.gz SPHFOWAJALMJNB-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)CC1CC1 ZINC001420573490 963081082 /nfs/dbraw/zinc/08/10/82/963081082.db2.gz VWKQUKVFBNDXRZ-DZGCQCFKSA-N 2 0 281.444 1.706 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001437725661 963144173 /nfs/dbraw/zinc/14/41/73/963144173.db2.gz VZUXMHXJZTWEIB-LSDHHAIUSA-N 2 0 295.471 1.812 10 0 CDAERP C[C@@H](F)CC[N@H+](CCNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001420670444 963173434 /nfs/dbraw/zinc/17/34/34/963173434.db2.gz ZWIHQYLZDSFIKM-CYBMUJFWSA-N 2 0 299.434 1.799 10 0 CDAERP CC(C)[NH2+][C@@H](CNC(=O)CC[NH+](C)C)c1ccccc1 ZINC001420777654 963234139 /nfs/dbraw/zinc/23/41/39/963234139.db2.gz QRDCWXHAQLKBSG-HNNXBMFYSA-N 2 0 277.412 1.794 10 0 CDAERP CCC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C(C)C ZINC001438808944 963558009 /nfs/dbraw/zinc/55/80/09/963558009.db2.gz IOCGIXWHSBZVOB-SOUVJXGZSA-N 2 0 283.460 1.857 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001421358362 963567538 /nfs/dbraw/zinc/56/75/38/963567538.db2.gz YKKBNVSOXIXXOR-HUUCEWRRSA-N 2 0 283.460 1.907 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N(C)CC[NH+](C)CCCF)CC[N@@H+]1C ZINC001438900376 963594092 /nfs/dbraw/zinc/59/40/92/963594092.db2.gz BFSRDWBNCTWLRO-KBPBESRZSA-N 2 0 287.423 1.467 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001439126181 963649113 /nfs/dbraw/zinc/64/91/13/963649113.db2.gz UKBIZKGCAYZWET-OLZOCXBDSA-N 2 0 285.407 1.457 10 0 CDAERP C[C@@H](C[NH2+]CC1CC1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001439215259 963680117 /nfs/dbraw/zinc/68/01/17/963680117.db2.gz QQBZEVIGOXBIBD-BBRMVZONSA-N 2 0 293.455 1.898 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001439686814 963837922 /nfs/dbraw/zinc/83/79/22/963837922.db2.gz YMHJHLHLPKSUIB-MRXNPFEDSA-N 2 0 295.471 1.907 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001439783409 963858826 /nfs/dbraw/zinc/85/88/26/963858826.db2.gz OGABJWPBKWJYDP-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[NH+]1CCC(C)(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001439917688 963893770 /nfs/dbraw/zinc/89/37/70/963893770.db2.gz QHTISIOLUOZJBG-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCO[C@H](C[NH2+]C[C@@H](C)CC)C1 ZINC001440375677 964004256 /nfs/dbraw/zinc/00/42/56/964004256.db2.gz QHLYWBQXKYTSKJ-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)[C@H](C)[NH2+]CCO ZINC001440799404 964189190 /nfs/dbraw/zinc/18/91/90/964189190.db2.gz BWGUDQQPYGEABP-STQMWFEESA-N 2 0 299.459 1.115 10 0 CDAERP CC(C)[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001441189695 964412084 /nfs/dbraw/zinc/41/20/84/964412084.db2.gz FGMHFDFFQZPWPI-HUUCEWRRSA-N 2 0 281.444 1.752 10 0 CDAERP CC(C)CC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001441816503 964730550 /nfs/dbraw/zinc/73/05/50/964730550.db2.gz AOEDAVHKZJANGP-LSDHHAIUSA-N 2 0 293.455 1.707 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+][C@@H](C)c1ccccc1F ZINC001441938920 964798034 /nfs/dbraw/zinc/79/80/34/964798034.db2.gz MULYSLKSRUBLNI-OLZOCXBDSA-N 2 0 295.402 1.933 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001441943683 964801394 /nfs/dbraw/zinc/80/13/94/964801394.db2.gz UHYNWHMMEWZNPR-STQMWFEESA-N 2 0 295.402 1.933 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1ccc(F)cn1 ZINC001442060639 964848508 /nfs/dbraw/zinc/84/85/08/964848508.db2.gz GEWDGIGULWYWEW-LBPRGKRZSA-N 2 0 296.390 1.155 10 0 CDAERP C[NH+](C)CCC(=O)NC1(C2CC[NH+](CC3CC3)CC2)CC1 ZINC001442275490 964969973 /nfs/dbraw/zinc/96/99/73/964969973.db2.gz GWEISFJBIQAWJL-UHFFFAOYSA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)CC[N@H+](C)CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001442600613 965130623 /nfs/dbraw/zinc/13/06/23/965130623.db2.gz DBWAXTUAETYKBY-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[N@H+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)C1CC1 ZINC001443011469 965320495 /nfs/dbraw/zinc/32/04/95/965320495.db2.gz BJAKFXWHCMLICV-GOEBONIOSA-N 2 0 293.455 1.992 10 0 CDAERP CC(C)C[C@@H](CNC(=O)C1([NH+](C)C)CCCC1)[NH+](C)C ZINC001443429743 965465628 /nfs/dbraw/zinc/46/56/28/965465628.db2.gz YWEIAWJYMPNZFB-AWEZNQCLSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H](C[NH2+]CC1CCCC1)N(C)C(=O)Cc1ncc[nH]1 ZINC001444684200 965921985 /nfs/dbraw/zinc/92/19/85/965921985.db2.gz DVUQBMBVZRUFGH-LBPRGKRZSA-N 2 0 278.400 1.579 10 0 CDAERP C[C@H](C[NH2+]Cc1nccs1)N(C)C(=O)C[NH+]1CCCC1 ZINC001444718834 965929892 /nfs/dbraw/zinc/92/98/92/965929892.db2.gz FPEQQNDVPZFFBP-GFCCVEGCSA-N 2 0 296.440 1.175 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]CC1CCOCC1 ZINC001444723966 965932187 /nfs/dbraw/zinc/93/21/87/965932187.db2.gz QXAVFOZMTCLDKI-CQSZACIVSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CCF)C1 ZINC001444808752 965958716 /nfs/dbraw/zinc/95/87/16/965958716.db2.gz AFCSJXXWZXJMBP-UONOGXRCSA-N 2 0 287.423 1.513 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001445082816 966091149 /nfs/dbraw/zinc/09/11/49/966091149.db2.gz JZDMREZTWQYHIL-STQMWFEESA-N 2 0 273.396 1.076 10 0 CDAERP CCN(CC[NH2+][C@H](C)COC)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001445330691 966160113 /nfs/dbraw/zinc/16/01/13/966160113.db2.gz ZZUVYKOTLPLCRU-ILXRZTDVSA-N 2 0 299.459 1.190 10 0 CDAERP O=C(N[C@@H](C[NH2+]CC1CC1)C1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001445959242 966401795 /nfs/dbraw/zinc/40/17/95/966401795.db2.gz YIXVEFQRBQGUSJ-HOTGVXAUSA-N 2 0 291.439 1.223 10 0 CDAERP C[C@@]1(NC(=O)C[NH+]2CCCC2)CC[N@H+](CCCF)C1 ZINC001446558535 966582352 /nfs/dbraw/zinc/58/23/52/966582352.db2.gz KFJPMVDJAWEWFV-CQSZACIVSA-N 2 0 271.380 1.022 10 0 CDAERP C[C@]1(NC(=O)C[NH+]2CCCC2)CC[N@H+](CCCF)C1 ZINC001446558533 966583132 /nfs/dbraw/zinc/58/31/32/966583132.db2.gz KFJPMVDJAWEWFV-AWEZNQCLSA-N 2 0 271.380 1.022 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)CC1 ZINC001446974242 966670762 /nfs/dbraw/zinc/67/07/62/966670762.db2.gz ZKRGZIGDZLTIDU-GJZGRUSLSA-N 2 0 295.471 1.905 10 0 CDAERP CC[C@@]1(c2nc(CC3CC[NH2+]CC3)no2)CC[NH2+]C1 ZINC001350692834 966736683 /nfs/dbraw/zinc/73/66/83/966736683.db2.gz GQCBKIXCIANVPY-CQSZACIVSA-N 2 0 264.373 1.253 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1c1nc(CC2CC[NH2+]CC2)no1 ZINC001350693933 966738955 /nfs/dbraw/zinc/73/89/55/966738955.db2.gz SUKDBJSAKXBHAO-VXGBXAGGSA-N 2 0 264.373 1.597 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]CCF ZINC001447675751 966843160 /nfs/dbraw/zinc/84/31/60/966843160.db2.gz UJHTWAAWNXRSNI-UONOGXRCSA-N 2 0 287.423 1.703 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CCCF ZINC001448032917 966970299 /nfs/dbraw/zinc/97/02/99/966970299.db2.gz JMZPBYYPPXSJCS-KGLIPLIRSA-N 2 0 287.423 1.655 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001480196815 967167973 /nfs/dbraw/zinc/16/79/73/967167973.db2.gz MVVUWKKDLWGBMP-MJBXVCDLSA-N 2 0 267.417 1.508 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H](C)CC[NH+](C)C)C1CC1 ZINC001542802086 967246088 /nfs/dbraw/zinc/24/60/88/967246088.db2.gz JEMAITYDDQZBJC-LBPRGKRZSA-N 2 0 255.406 1.175 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)CC[NH+](C)C)C1 ZINC001544112722 967339208 /nfs/dbraw/zinc/33/92/08/967339208.db2.gz MSIMBRNMLDINPY-KGLIPLIRSA-N 2 0 269.433 1.421 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1(C)C ZINC001452124801 968069974 /nfs/dbraw/zinc/06/99/74/968069974.db2.gz FTZSUUZSRYOJPL-YJNKXOJESA-N 2 0 295.471 1.952 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001452729072 968167209 /nfs/dbraw/zinc/16/72/09/968167209.db2.gz RKXCXZAREHQQTJ-KKUMJFAQSA-N 2 0 283.460 1.809 10 0 CDAERP COC[C@H]([NH2+]C[C@@H]([NH3+])CC(F)F)[C@H]1CCCOC1 ZINC001353945254 968354535 /nfs/dbraw/zinc/35/45/35/968354535.db2.gz ZSMSYUNYVHXKNY-DCAQKATOSA-N 2 0 266.332 1.000 10 0 CDAERP C[NH+](C)CCn1cc(C(=O)Nc2ccc3c[nH+]cn3c2)cn1 ZINC001456443743 968977493 /nfs/dbraw/zinc/97/74/93/968977493.db2.gz QQWMYPXDIGEHDQ-UHFFFAOYSA-N 2 0 298.350 1.345 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001465503623 969880194 /nfs/dbraw/zinc/88/01/94/969880194.db2.gz GWPJGFIQEFKIAG-HZSPNIEDSA-N 2 0 269.433 1.563 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]3[C@@H]2CCC[NH+]3C)C1 ZINC001471685959 970466775 /nfs/dbraw/zinc/46/67/75/970466775.db2.gz JAOVHTODMJYDNY-RDBSUJKOSA-N 2 0 265.401 1.023 10 0 CDAERP CCC[NH2+]C[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001495789239 972631799 /nfs/dbraw/zinc/63/17/99/972631799.db2.gz ULCWEKGKZLHMHH-OLZOCXBDSA-N 2 0 257.422 1.325 10 0 CDAERP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]Cc1cccnc1 ZINC001495810123 972645734 /nfs/dbraw/zinc/64/57/34/972645734.db2.gz VPRNWIUXEOTCLY-AWEZNQCLSA-N 2 0 290.411 1.019 10 0 CDAERP COCCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001496056349 972778711 /nfs/dbraw/zinc/77/87/11/972778711.db2.gz QMGYUQPOSNVXKV-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]C/C=C\Cl ZINC001496641429 973008305 /nfs/dbraw/zinc/00/83/05/973008305.db2.gz FXXJNDYIRDLXOQ-SZZPACECSA-N 2 0 287.835 1.565 10 0 CDAERP CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001497207378 973245516 /nfs/dbraw/zinc/24/55/16/973245516.db2.gz YAXSVXMEIXKFBB-HIFRSBDPSA-N 2 0 281.444 1.898 10 0 CDAERP C[C@@H](F)CC[NH2+]CC[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001497219368 973249469 /nfs/dbraw/zinc/24/94/69/973249469.db2.gz GJTYFOLSWBVLPN-KGLIPLIRSA-N 2 0 299.434 1.847 10 0 CDAERP CCN(CC[NH2+]CCF)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001497407780 973335961 /nfs/dbraw/zinc/33/59/61/973335961.db2.gz OBUYWZSRWRZADE-UONOGXRCSA-N 2 0 285.407 1.411 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](C[C@H](CC)OC)[C@@H]1C ZINC001417850117 973415348 /nfs/dbraw/zinc/41/53/48/973415348.db2.gz BLXTTYCFHQQFRA-ILXRZTDVSA-N 2 0 299.459 1.332 10 0 CDAERP CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001497581075 973419041 /nfs/dbraw/zinc/41/90/41/973419041.db2.gz ZZHCNBOHXCRNHM-GFUIURDCSA-N 2 0 253.390 1.141 10 0 CDAERP Cc1cccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001497798012 973515800 /nfs/dbraw/zinc/51/58/00/973515800.db2.gz PJLBGIKHAPVUSQ-ZBFHGGJFSA-N 2 0 289.423 1.684 10 0 CDAERP CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)[NH2+]C(C)C ZINC001373833624 973660477 /nfs/dbraw/zinc/66/04/77/973660477.db2.gz GQTWAWNURMTHFN-HUUCEWRRSA-N 2 0 283.460 2.000 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1csc(C)c1)[NH+](C)C ZINC001418245435 973692270 /nfs/dbraw/zinc/69/22/70/973692270.db2.gz MANDEMGBSQHBDZ-SMDDNHRTSA-N 2 0 297.468 1.991 10 0 CDAERP C[C@H](C[N@H+](C)CCC1CCCC1)NC(=O)Cn1ccnc1 ZINC001498466113 973930681 /nfs/dbraw/zinc/93/06/81/973930681.db2.gz QFBSVRZYIGPLEA-CQSZACIVSA-N 2 0 292.427 1.900 10 0 CDAERP CC[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C[C@H](C)[NH2+]1 ZINC001418562593 973973876 /nfs/dbraw/zinc/97/38/76/973973876.db2.gz WWQPNTNLMZMVLN-YJNKXOJESA-N 2 0 281.444 1.706 10 0 CDAERP CC[C@H](F)C[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001499351447 974242320 /nfs/dbraw/zinc/24/23/20/974242320.db2.gz AVTRRLKXHHATGE-STQMWFEESA-N 2 0 285.407 1.315 10 0 CDAERP C[C@@H](C[N@H+](C)CCc1ccns1)NC(=O)CC[NH+](C)C ZINC001375104267 974260718 /nfs/dbraw/zinc/26/07/18/974260718.db2.gz XUFSFQXYNYSVLB-LBPRGKRZSA-N 2 0 298.456 1.074 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCCF ZINC001499954606 974342769 /nfs/dbraw/zinc/34/27/69/974342769.db2.gz FXRHXVLHSFXCRE-LSDHHAIUSA-N 2 0 299.434 1.801 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CCCC1 ZINC001500123315 974377481 /nfs/dbraw/zinc/37/74/81/974377481.db2.gz VYPQNNOJSFKTRR-CQSZACIVSA-N 2 0 279.428 1.367 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[C@@H](C)O2)C1 ZINC001376490884 974674878 /nfs/dbraw/zinc/67/48/78/974674878.db2.gz LYVJKQYJSCRMPG-KBXIAJHMSA-N 2 0 297.443 1.133 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1ccsc1 ZINC001376883664 974803576 /nfs/dbraw/zinc/80/35/76/974803576.db2.gz RURSDJFGGZWWCF-GFCCVEGCSA-N 2 0 283.441 1.683 10 0 CDAERP C[C@@H](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]C/C=C\Cl ZINC001503200498 974816338 /nfs/dbraw/zinc/81/63/38/974816338.db2.gz YTHPRNWYFZSYEZ-ZHVVJQQXSA-N 2 0 299.846 1.565 10 0 CDAERP CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CCF)[NH+](C)C ZINC001505405913 974862985 /nfs/dbraw/zinc/86/29/85/974862985.db2.gz AJJQEYOKPQIDTA-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCC(F)(F)F ZINC001377104825 974883042 /nfs/dbraw/zinc/88/30/42/974883042.db2.gz HRVXTZHWMPDQQV-QWRGUYRKSA-N 2 0 295.349 1.375 10 0 CDAERP CCC[NH2+]CC1CC(NC(=O)CCC[NH+](C)C)C1 ZINC001505515307 974899386 /nfs/dbraw/zinc/89/93/86/974899386.db2.gz RVTDSYFPZUISED-UHFFFAOYSA-N 2 0 255.406 1.223 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)CCC1CC1 ZINC001377185022 974917337 /nfs/dbraw/zinc/91/73/37/974917337.db2.gz VPVNTGMUKRSSBD-HOTGVXAUSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]CCc1ccccc1 ZINC001505685298 974962510 /nfs/dbraw/zinc/96/25/10/974962510.db2.gz GLBGCADOFFGSMG-LSDHHAIUSA-N 2 0 291.439 1.664 10 0 CDAERP CCOCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001505801466 974991227 /nfs/dbraw/zinc/99/12/27/974991227.db2.gz JHAYJUPBZBYANU-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP CCCC[N@@H+]1CC[C@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001377467437 975039466 /nfs/dbraw/zinc/03/94/66/975039466.db2.gz JUSASVRIAPQSEK-LSDHHAIUSA-N 2 0 281.444 1.566 10 0 CDAERP CC[C@H](C(=O)NC1CC(C[NH2+]CC2CCC2)C1)[NH+](C)C ZINC001377716117 975118822 /nfs/dbraw/zinc/11/88/22/975118822.db2.gz NWDTWQDGTKFUHT-YMAMQOFZSA-N 2 0 281.444 1.611 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cnoc1C ZINC001377866456 975160178 /nfs/dbraw/zinc/16/01/78/975160178.db2.gz DDZGBAVLTPDZEK-VXGBXAGGSA-N 2 0 296.415 1.308 10 0 CDAERP CC[N@@H+]1CCCCC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001506579288 975181569 /nfs/dbraw/zinc/18/15/69/975181569.db2.gz MJURJALPSGANFO-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP CC/C=C/CC[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001506905359 975253281 /nfs/dbraw/zinc/25/32/81/975253281.db2.gz HLSBZIVYNSGRPS-VKLSIXJOSA-N 2 0 293.455 1.923 10 0 CDAERP CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001378140194 975256549 /nfs/dbraw/zinc/25/65/49/975256549.db2.gz AYIQKYBCPODGNC-UONOGXRCSA-N 2 0 287.423 1.609 10 0 CDAERP CC(C)[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCCF ZINC001506987801 975284518 /nfs/dbraw/zinc/28/45/18/975284518.db2.gz LBCAYSVLQXJMBA-ZIAGYGMSSA-N 2 0 287.423 1.561 10 0 CDAERP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)CCOC1CCC1 ZINC001378218339 975292781 /nfs/dbraw/zinc/29/27/81/975292781.db2.gz FQGOMTNGTDRFMP-CQSZACIVSA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CCC1CC1 ZINC001378301950 975323819 /nfs/dbraw/zinc/32/38/19/975323819.db2.gz NREKKJLGBAMARG-HIFRSBDPSA-N 2 0 281.444 1.613 10 0 CDAERP CC[N@@H+]1CC[C@H](CCNC(=O)C(C)(C)n2cnc(C)c2)C1 ZINC001404494636 975409445 /nfs/dbraw/zinc/40/94/45/975409445.db2.gz BEWMYNWEHMTKCO-AWEZNQCLSA-N 2 0 292.427 1.775 10 0 CDAERP C[C@H](C[NH2+]Cc1ccns1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001378856424 975517084 /nfs/dbraw/zinc/51/70/84/975517084.db2.gz VCCJTPBONAQQNP-NEPJUHHUSA-N 2 0 296.440 1.031 10 0 CDAERP CC[C@@H](C)C[NH+]1CC(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001404923060 975543647 /nfs/dbraw/zinc/54/36/47/975543647.db2.gz PJIBMUCSRNCJQA-ZIAGYGMSSA-N 2 0 281.444 1.422 10 0 CDAERP CC(C)(C)CCC[NH+]1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001404931948 975546682 /nfs/dbraw/zinc/54/66/82/975546682.db2.gz IMXUGVZYHMBTJY-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)C[C@H](C[NH2+]C(C)C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001401280723 975561486 /nfs/dbraw/zinc/56/14/86/975561486.db2.gz LBIPSJYSZRXKSH-HZPDHXFCSA-N 2 0 295.471 1.857 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001401376334 975630545 /nfs/dbraw/zinc/63/05/45/975630545.db2.gz IKDHKKITKOWMPX-CABCVRRESA-N 2 0 283.460 1.907 10 0 CDAERP CC[NH2+]CCOCCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001508177563 975630627 /nfs/dbraw/zinc/63/06/27/975630627.db2.gz GHYRPNPDYFUWBY-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@@H](F)C[NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCCC1 ZINC001405401271 975733639 /nfs/dbraw/zinc/73/36/39/975733639.db2.gz BBGNUSBMRDUSAB-CQSZACIVSA-N 2 0 299.434 1.849 10 0 CDAERP Cc1ncc(C[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C(C)C)s1 ZINC001401670258 975779170 /nfs/dbraw/zinc/77/91/70/975779170.db2.gz NBISHWFKJUSNHN-LLVKDONJSA-N 2 0 298.456 1.386 10 0 CDAERP CC(C)C[NH2+][C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001406021013 975972076 /nfs/dbraw/zinc/97/20/76/975972076.db2.gz QSUOTYWUDZKHBV-CVEARBPZSA-N 2 0 295.471 1.715 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001379699866 976019991 /nfs/dbraw/zinc/01/99/91/976019991.db2.gz USGBLKPGKCDION-GJZGRUSLSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1([NH2+]C/C=C/Cl)CC1 ZINC001380174181 976279527 /nfs/dbraw/zinc/27/95/27/976279527.db2.gz XUOAKHYSLTYZQN-DZHBCGKYSA-N 2 0 299.846 1.850 10 0 CDAERP C[C@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+]CC1CCCC1 ZINC001390431962 976286326 /nfs/dbraw/zinc/28/63/26/976286326.db2.gz DNOZNJSEIDZHLZ-CQSZACIVSA-N 2 0 293.455 1.899 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001399027997 976295311 /nfs/dbraw/zinc/29/53/11/976295311.db2.gz OTFADYTWVJFAKI-CHWSQXEVSA-N 2 0 289.439 1.807 10 0 CDAERP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cncs1 ZINC001399128924 976353605 /nfs/dbraw/zinc/35/36/05/976353605.db2.gz XEJWLNOMKJPBPL-VXGBXAGGSA-N 2 0 296.440 1.079 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001402627968 976407101 /nfs/dbraw/zinc/40/71/01/976407101.db2.gz OYFNKURUMBWBOD-SOUVJXGZSA-N 2 0 281.444 1.611 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001402757192 976470076 /nfs/dbraw/zinc/47/00/76/976470076.db2.gz OPWHDTVVMZSWTN-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001406933667 976485088 /nfs/dbraw/zinc/48/50/88/976485088.db2.gz BTMSWAPVJSVVIC-AWEZNQCLSA-N 2 0 281.444 1.755 10 0 CDAERP CO[C@H](C)C[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001406939652 976486756 /nfs/dbraw/zinc/48/67/56/976486756.db2.gz USCSGDHMCYMONB-KGLIPLIRSA-N 2 0 297.443 1.134 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)CC1CCC1 ZINC001390826711 976544971 /nfs/dbraw/zinc/54/49/71/976544971.db2.gz RBONKQXXEKZASF-HZPDHXFCSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CC1CCCC1 ZINC001402880413 976562231 /nfs/dbraw/zinc/56/22/31/976562231.db2.gz JEEJVBCKSZWPSP-CZUORRHYSA-N 2 0 293.455 1.613 10 0 CDAERP CC[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001403035152 976672620 /nfs/dbraw/zinc/67/26/20/976672620.db2.gz XSUFXLFCIPUNBN-GJZGRUSLSA-N 2 0 291.439 1.664 10 0 CDAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]Cc1ccccc1 ZINC001381104257 976675980 /nfs/dbraw/zinc/67/59/80/976675980.db2.gz NYMYUESMEJCJJI-ZBFHGGJFSA-N 2 0 289.423 1.575 10 0 CDAERP C[C@H](F)CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001381201584 976716189 /nfs/dbraw/zinc/71/61/89/976716189.db2.gz PZQDVJGUUPUASP-RWMBFGLXSA-N 2 0 273.396 1.313 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001399931800 976754101 /nfs/dbraw/zinc/75/41/01/976754101.db2.gz PBDVKUDYFJWTAG-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H]([C@@H]2CC[N@H+](CCF)C2)C1 ZINC001381316788 976758399 /nfs/dbraw/zinc/75/83/99/976758399.db2.gz YTMVZNGJTPLDJN-LSDHHAIUSA-N 2 0 299.434 1.468 10 0 CDAERP CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](CCC(C)C)C1)[NH+](C)C ZINC001399959595 976777740 /nfs/dbraw/zinc/77/77/40/976777740.db2.gz YJVKCBPGFKXLTG-GJZGRUSLSA-N 2 0 283.460 1.811 10 0 CDAERP CCCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@H+](CC)C1 ZINC001391271162 976787245 /nfs/dbraw/zinc/78/72/45/976787245.db2.gz GSZNMVAFUAFWPQ-CVEARBPZSA-N 2 0 293.455 1.661 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)CCC(F)(F)F ZINC001381506222 976878545 /nfs/dbraw/zinc/87/85/45/976878545.db2.gz ZLNBYZDPPYBLRX-QWRGUYRKSA-N 2 0 295.349 1.470 10 0 CDAERP CC(C)C[NH+]1CC([C@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001403320838 976881728 /nfs/dbraw/zinc/88/17/28/976881728.db2.gz JTFWJNLRCIMILO-HOCLYGCPSA-N 2 0 295.471 1.953 10 0 CDAERP CCCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCCF)C1 ZINC001400145824 976887065 /nfs/dbraw/zinc/88/70/65/976887065.db2.gz JZAIMKJVTNFXEL-CABCVRRESA-N 2 0 299.434 1.611 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001403442341 976955379 /nfs/dbraw/zinc/95/53/79/976955379.db2.gz RBLRUVADXHFVIJ-KKUMJFAQSA-N 2 0 295.471 1.859 10 0 CDAERP C[C@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCC(C)(C)C ZINC001403527139 977031898 /nfs/dbraw/zinc/03/18/98/977031898.db2.gz NZVVAOZUIZUAGX-ZIAGYGMSSA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)[NH2+]CCC(F)(F)F ZINC001391697546 977051324 /nfs/dbraw/zinc/05/13/24/977051324.db2.gz OBMNYUSRLLMFDY-GHMZBOCLSA-N 2 0 297.365 1.763 10 0 CDAERP C[NH+](C)CCC(=O)N[C@]12CCC[C@@H]1[N@H+](CC1CC1)CC2 ZINC001403830502 977220802 /nfs/dbraw/zinc/22/08/02/977220802.db2.gz VHJWOXLESPZENJ-HOCLYGCPSA-N 2 0 279.428 1.461 10 0 CDAERP CC[N@H+](C)CCC1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001392197880 977254043 /nfs/dbraw/zinc/25/40/43/977254043.db2.gz BCJRBCLZLJQETO-UHFFFAOYSA-N 2 0 283.460 1.907 10 0 CDAERP CC(C)[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CC1CC1 ZINC001392215401 977265856 /nfs/dbraw/zinc/26/58/56/977265856.db2.gz CFSUZFNSLOJGCD-CVEARBPZSA-N 2 0 293.455 1.469 10 0 CDAERP C[C@H](C(=O)N[C@@H](C)C[NH2+]CC1CC1)[NH+]1CCCCCC1 ZINC001392595570 977490187 /nfs/dbraw/zinc/49/01/87/977490187.db2.gz MFECMXMFQYWCOG-UONOGXRCSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C)CN(C)Cc1cnc(C)o1)[NH+](C)C ZINC001392688295 977549669 /nfs/dbraw/zinc/54/96/69/977549669.db2.gz RUPDDRAQLHJXCB-RISCZKNCSA-N 2 0 296.415 1.260 10 0 CDAERP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@H+](C)CC1CCCC1 ZINC001392723088 977573527 /nfs/dbraw/zinc/57/35/27/977573527.db2.gz CMCMJDSBDLIFKQ-AWEZNQCLSA-N 2 0 283.460 1.953 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@]1(C)CC[NH+](CCC(C)C)C1 ZINC001393126543 977714460 /nfs/dbraw/zinc/71/44/60/977714460.db2.gz XLPSSRDHNUTMBA-INIZCTEOSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001393402968 977780857 /nfs/dbraw/zinc/78/08/57/977780857.db2.gz ZBKQPAAJGGMWOC-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCCF ZINC001393468071 977792426 /nfs/dbraw/zinc/79/24/26/977792426.db2.gz UJBPIGNWOGYTMY-HUUCEWRRSA-N 2 0 299.434 1.752 10 0 CDAERP C[C@@H](F)CC[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CCC1 ZINC001393546545 977828749 /nfs/dbraw/zinc/82/87/49/977828749.db2.gz SAJDMYJWMIXXEV-CYBMUJFWSA-N 2 0 299.434 1.847 10 0 CDAERP CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001393646143 977883256 /nfs/dbraw/zinc/88/32/56/977883256.db2.gz VNNOYHUZIWDVOV-CABCVRRESA-N 2 0 283.460 1.907 10 0 CDAERP Cc1ncc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCC[NH+](C)C)o1 ZINC001393970750 977990494 /nfs/dbraw/zinc/99/04/94/977990494.db2.gz ZUKOOTROPDYVQW-NWDGAFQWSA-N 2 0 296.415 1.308 10 0 CDAERP CC[C@@H](C)C[NH+]1CC([C@@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001394244423 978116581 /nfs/dbraw/zinc/11/65/81/978116581.db2.gz BOHPLDKFEVRSKJ-ZIAGYGMSSA-N 2 0 283.460 1.811 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@@]12CCC[C@@H]1[NH+](CCF)CC2 ZINC001394681793 978230956 /nfs/dbraw/zinc/23/09/56/978230956.db2.gz DJEOZXKWXQTILM-GOEBONIOSA-N 2 0 299.434 1.801 10 0 CDAERP C[C@H](CCC[NH2+]CCCF)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001676018186 1174174381 /nfs/dbraw/zinc/17/43/81/1174174381.db2.gz HZDYWWAYNWYBLJ-OLZOCXBDSA-N 2 0 273.396 1.172 10 0 CDAERP COCC[NH2+][C@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001676158638 1174185981 /nfs/dbraw/zinc/18/59/81/1174185981.db2.gz MLRSPDIISMSWHZ-RBSFLKMASA-N 2 0 299.459 1.094 10 0 CDAERP CCC[N@H+](C)[C@@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001570715479 1170250681 /nfs/dbraw/zinc/25/06/81/1170250681.db2.gz DUFHEMQHYMUIIW-KBPBESRZSA-N 2 0 269.433 1.707 10 0 CDAERP CN(C)C(=O)[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC001654912551 1171650069 /nfs/dbraw/zinc/65/00/69/1171650069.db2.gz RPRHJBOQXZNNFX-ZIAGYGMSSA-N 2 0 267.417 1.271 10 0 CDAERP CC(C)CCC[NH2+][C@H]1C[C@@H](CNC(=O)Cn2ccnc2)C1 ZINC001656179540 1171785556 /nfs/dbraw/zinc/78/55/56/1171785556.db2.gz XURNFKUMFDTWTL-GASCZTMLSA-N 2 0 292.427 1.804 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCCNC(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000618547994 349479572 /nfs/dbraw/zinc/47/95/72/349479572.db2.gz GIDTYNMVUDVYJC-LSDHHAIUSA-N 2 0 296.459 1.644 10 0 CDAERP COC[C@H](C)C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650708344 398151189 /nfs/dbraw/zinc/15/11/89/398151189.db2.gz YFMREHZXEDEODM-BARDWOONSA-N 2 0 270.417 1.487 10 0 CDAERP COCc1nc(CC[NH+](C)C)sc1C[NH2+]C1CC1 ZINC000082446880 178024492 /nfs/dbraw/zinc/02/44/92/178024492.db2.gz UWVUSYOAXVWPAR-UHFFFAOYSA-N 2 0 269.414 1.646 10 0 CDAERP [NH3+]CC1(CC[NH2+]C2CCC(O)(C(F)(F)F)CC2)CC1 ZINC000650745722 398173799 /nfs/dbraw/zinc/17/37/99/398173799.db2.gz MLZRTJJTTWZRRP-UHFFFAOYSA-N 2 0 280.334 1.941 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCCc2c1ccc(=O)n2C ZINC000650764671 398185604 /nfs/dbraw/zinc/18/56/04/398185604.db2.gz IQLCEDKWLVXDIY-GXTWGEPZSA-N 2 0 293.411 1.106 10 0 CDAERP C[NH2+][C@H]1CCN(c2cc[nH+]c(NCC(C)(C)O)c2)C1 ZINC000116600253 342045675 /nfs/dbraw/zinc/04/56/75/342045675.db2.gz VBTQJMKRADHVRY-NSHDSACASA-N 2 0 264.373 1.063 10 0 CDAERP CCO[C@H](C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1)C1CC1 ZINC000625252745 342050897 /nfs/dbraw/zinc/05/08/97/342050897.db2.gz JKUOFXZMEDLEMW-DLBZAZTESA-N 2 0 295.471 1.513 10 0 CDAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@]3(C)CCC[NH2+]3)CC[C@@H]21 ZINC000167540478 342073889 /nfs/dbraw/zinc/07/38/89/342073889.db2.gz AFRYPWSQULWDFN-IPYPFGDCSA-N 2 0 265.401 1.071 10 0 CDAERP CN(c1cccc2c1CC[NH2+]C2)C1CC[NH+](C)CC1 ZINC000082792620 178297447 /nfs/dbraw/zinc/29/74/47/178297447.db2.gz LPMQTAYGXFKHNT-UHFFFAOYSA-N 2 0 259.397 1.863 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CCCCC1 ZINC000591432349 342630097 /nfs/dbraw/zinc/63/00/97/342630097.db2.gz DERAQXVIQKJOOM-ZDUSSCGKSA-N 2 0 267.417 1.319 10 0 CDAERP CC[NH+](CC)C[C@@H]1CCN(Cc2ccnc(C)n2)C1 ZINC000351666718 361850220 /nfs/dbraw/zinc/85/02/20/361850220.db2.gz XKQNMRUJAGFFNW-AWEZNQCLSA-N 2 0 262.401 1.949 10 0 CDAERP NC(=[NH2+])c1ccc(OCc2cccc(C(N)=[NH2+])c2)cc1 ZINC000096910517 185129553 /nfs/dbraw/zinc/12/95/53/185129553.db2.gz OPWAWANNCHKPTP-UHFFFAOYSA-N 2 0 268.320 1.834 10 0 CDAERP [NH3+]CCC1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000565150517 361910927 /nfs/dbraw/zinc/91/09/27/361910927.db2.gz LEWFWYBTUZAFLV-KFWWJZLASA-N 2 0 279.428 1.495 10 0 CDAERP CC(C)COC[C@H](O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366497893 361913809 /nfs/dbraw/zinc/91/38/09/361913809.db2.gz PJMGFQIMUQJBPN-HUUCEWRRSA-N 2 0 270.417 1.048 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NCc1ccc(OCC[NH+](C)C)cc1 ZINC000629407184 361951011 /nfs/dbraw/zinc/95/10/11/361951011.db2.gz WMTYSLXJFUJBEG-XJKSGUPXSA-N 2 0 277.412 1.467 10 0 CDAERP CC(C)[C@H]1CC[C@H]1[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000353513864 539098259 /nfs/dbraw/zinc/09/82/59/539098259.db2.gz FRNVGHXKUWXXDW-BZUAXINKSA-N 2 0 267.461 1.894 10 0 CDAERP CCOCC[N@@H+]1CCN(CCC[NH+](CC)CC)C[C@@H]1C ZINC000249112924 344018136 /nfs/dbraw/zinc/01/81/36/344018136.db2.gz WAQWQBFQPIICKC-INIZCTEOSA-N 2 0 285.476 1.761 10 0 CDAERP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H]1CCCNC1=O ZINC000626062717 342297453 /nfs/dbraw/zinc/29/74/53/342297453.db2.gz CWNIEZHPRFYBTF-MRXNPFEDSA-N 2 0 289.423 1.849 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000594925343 342988903 /nfs/dbraw/zinc/98/89/03/342988903.db2.gz RUXYETFVVKQNCU-FDYHWXHSSA-N 2 0 254.374 1.115 10 0 CDAERP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000595000384 342995080 /nfs/dbraw/zinc/99/50/80/342995080.db2.gz GTVUHHFBZFPUPM-UHOFOFEASA-N 2 0 294.439 1.896 10 0 CDAERP C[NH2+]CCN[C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000423253428 290670547 /nfs/dbraw/zinc/67/05/47/290670547.db2.gz ZBCSDVFJEIJERN-CABCVRRESA-N 2 0 263.385 1.297 10 0 CDAERP CCOC[C@H](O)C[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000354859829 365735445 /nfs/dbraw/zinc/73/54/45/365735445.db2.gz ZQJPCXMRUVIPSH-OAHLLOKOSA-N 2 0 272.433 1.438 10 0 CDAERP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000629515132 362129988 /nfs/dbraw/zinc/12/99/88/362129988.db2.gz YWGDVBJKDDHQEY-KKBVYLPWSA-N 2 0 290.407 1.470 10 0 CDAERP NC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000629524235 362141326 /nfs/dbraw/zinc/14/13/26/362141326.db2.gz OMZNCTWGWVDJOO-XGFWRYKXSA-N 2 0 265.401 1.151 10 0 CDAERP CC(C)[NH2+][C@H]1CCCN(c2nc(N)[nH+]c3c2CCCC3)C1 ZINC000645146804 362156749 /nfs/dbraw/zinc/15/67/49/362156749.db2.gz UGFGWMBOBNIVEB-LBPRGKRZSA-N 2 0 289.427 1.735 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H]1CCCOc2ccc(OC)cc21 ZINC000629530039 362161781 /nfs/dbraw/zinc/16/17/81/362161781.db2.gz TXCQHMMSGDLCQT-HNNXBMFYSA-N 2 0 294.395 1.735 10 0 CDAERP COc1cncc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000629532084 362162659 /nfs/dbraw/zinc/16/26/59/362162659.db2.gz LBUCLVHZNKUNOO-ZIAGYGMSSA-N 2 0 290.411 1.697 10 0 CDAERP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)[C@@H]1C ZINC000596651994 343371052 /nfs/dbraw/zinc/37/10/52/343371052.db2.gz DWPGHPASUFEYQH-BOEZANNTSA-N 2 0 266.385 1.306 10 0 CDAERP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](CO)C2CCC2)CC[NH2+]CC1 ZINC000596652986 343371823 /nfs/dbraw/zinc/37/18/23/343371823.db2.gz XVASMHZGJKABND-OCCSQVGLSA-N 2 0 298.427 1.058 10 0 CDAERP CCCC1CCC(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000263194526 362213171 /nfs/dbraw/zinc/21/31/71/362213171.db2.gz IFVMKNCRTCOQBZ-WUCCLRPBSA-N 2 0 254.418 1.763 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000250479983 344041730 /nfs/dbraw/zinc/04/17/30/344041730.db2.gz BSWBAMOAYFRFTL-KGLIPLIRSA-N 2 0 267.417 1.223 10 0 CDAERP CC[N@@H+]1CCN(c2nc(N)[nH+]c3c2CCCC3)C[C@H]1C ZINC000645198670 362282722 /nfs/dbraw/zinc/28/27/22/362282722.db2.gz RNVZYLBJMBEBJZ-LLVKDONJSA-N 2 0 275.400 1.298 10 0 CDAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000258648724 344408722 /nfs/dbraw/zinc/40/87/22/344408722.db2.gz FVKLXCZISSKZJQ-KBPBESRZSA-N 2 0 267.417 1.176 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000618561231 344998715 /nfs/dbraw/zinc/99/87/15/344998715.db2.gz VNOLTACCJVVQPB-LSDHHAIUSA-N 2 0 294.443 1.350 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000669514096 482534259 /nfs/dbraw/zinc/53/42/59/482534259.db2.gz QLXRNLSJUHKYOD-OASPWFOLSA-N 2 0 281.787 1.454 10 0 CDAERP CC[NH+](CC)CCSCC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000073433934 349924176 /nfs/dbraw/zinc/92/41/76/349924176.db2.gz JAZXYWKGYDEVED-CYBMUJFWSA-N 2 0 287.473 1.272 10 0 CDAERP C[NH+](C)Cc1cccc(NC(=O)[C@@]2(C)CCC[NH2+]2)c1 ZINC000079514052 362646232 /nfs/dbraw/zinc/64/62/32/362646232.db2.gz QNXBLFRYROODMX-OAHLLOKOSA-N 2 0 261.369 1.829 10 0 CDAERP CC(=O)N1CCC([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623342381 346070960 /nfs/dbraw/zinc/07/09/60/346070960.db2.gz XADPOBOAFROVFQ-AWEZNQCLSA-N 2 0 267.417 1.460 10 0 CDAERP CCC1CCC([N@H+](C)C[C@](O)(C[NH3+])C2CC2)CC1 ZINC000085301595 179010093 /nfs/dbraw/zinc/01/00/93/179010093.db2.gz HDAZEONKQWBTFF-PESDSKBTSA-N 2 0 254.418 1.987 10 0 CDAERP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](CC3CC3)C2)CC1(C)C ZINC000623410197 346249403 /nfs/dbraw/zinc/24/94/03/346249403.db2.gz GCJYTDVSNJIAHC-LSDHHAIUSA-N 2 0 265.445 1.933 10 0 CDAERP CS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CCC[C@H]2[NH3+])cc1 ZINC000085376826 179044559 /nfs/dbraw/zinc/04/45/59/179044559.db2.gz VQDGZNVIMMDWPF-TZMCWYRMSA-N 2 0 282.409 1.307 10 0 CDAERP C[C@@H]1CC[NH2+][C@@](C)(C2CC2)C[N@@H+]1CCn1cccn1 ZINC000085623716 179106862 /nfs/dbraw/zinc/10/68/62/179106862.db2.gz RGUTUECEDRVKTG-UKRRQHHQSA-N 2 0 262.401 1.736 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@H]1CCc2nc[nH]c2C1 ZINC000612304046 347105417 /nfs/dbraw/zinc/10/54/17/347105417.db2.gz LEFFJKRKTUNKPO-JRPNMDOOSA-N 2 0 288.395 1.114 10 0 CDAERP CC[NH+](CC)[C@H]1CCN([C@@](CC)(C[NH3+])C2CC2)C1 ZINC000086120750 179234824 /nfs/dbraw/zinc/23/48/24/179234824.db2.gz HXBBKVKCOSQEQN-GJZGRUSLSA-N 2 0 253.434 1.920 10 0 CDAERP C[N@@H+]1CCC[C@@H](N2CC[NH2+][C@](C)(c3ccccc3)C2)C1 ZINC000086142256 179237780 /nfs/dbraw/zinc/23/77/80/179237780.db2.gz CVGFFPKVWURWMC-SJORKVTESA-N 2 0 273.424 1.901 10 0 CDAERP CC[C@@]1(C)CN(C[C@@H]2CC[N@@H+](C(C)C)C2)CC[NH2+]1 ZINC000086146528 179238696 /nfs/dbraw/zinc/23/86/96/179238696.db2.gz BSQPOMFHMNFEAY-GJZGRUSLSA-N 2 0 253.434 1.791 10 0 CDAERP CC[C@H]1C[NH2+][C@@H](C(C)C)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086173830 179244900 /nfs/dbraw/zinc/24/49/00/179244900.db2.gz QAXYQKLBUMHCNA-NUEKZKHPSA-N 2 0 265.445 1.932 10 0 CDAERP CC[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086223922 179253026 /nfs/dbraw/zinc/25/30/26/179253026.db2.gz QBMMCRQILZWLSM-BZUAXINKSA-N 2 0 265.445 1.933 10 0 CDAERP C[C@H]1C[NH2+][C@H](C2CC2)CN1C[C@@H]1CCC[N@H+](C)C1 ZINC000086259270 179257901 /nfs/dbraw/zinc/25/79/01/179257901.db2.gz HYYLTGJJDBBLIK-GUTXKFCHSA-N 2 0 251.418 1.401 10 0 CDAERP C[C@@H]1C[NH2+][C@](C)(C2CC2)CN1C[C@@H]1CCCC[N@@H+]1C ZINC000086259313 179258379 /nfs/dbraw/zinc/25/83/79/179258379.db2.gz MCZRADRSBNHMDF-KBMXLJTQSA-N 2 0 265.445 1.933 10 0 CDAERP C[C@H]1C[NH2+]C2(CCCC2)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086259646 179259034 /nfs/dbraw/zinc/25/90/34/179259034.db2.gz HBHLSXFPDVWYHD-DZGCQCFKSA-N 2 0 263.429 1.830 10 0 CDAERP CN1CCC[C@H]1C[NH2+]Cc1ccc(C(=O)NC2CC2)cc1 ZINC000623785351 347598459 /nfs/dbraw/zinc/59/84/59/347598459.db2.gz LXVJQHLQACJYTP-INIZCTEOSA-N 2 0 287.407 1.763 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]C[C@]2(C)CCC(=O)N2)CC1(C)C ZINC000623543913 347625264 /nfs/dbraw/zinc/62/52/64/347625264.db2.gz COYPOHORACLTQY-RISCZKNCSA-N 2 0 253.390 1.118 10 0 CDAERP Cn1nnc2c1CC[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C2 ZINC000623561496 347633777 /nfs/dbraw/zinc/63/37/77/347633777.db2.gz PAINNEVLQMPNIP-NWDGAFQWSA-N 2 0 277.416 1.135 10 0 CDAERP COCC[NH2+]CC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000105852718 348813641 /nfs/dbraw/zinc/81/36/41/348813641.db2.gz JXLMDXLNVNPZFZ-UHFFFAOYSA-N 2 0 291.395 1.457 10 0 CDAERP C[C@@H]([NH2+]CCOCCC[NH3+])c1cccc(-n2ccnn2)c1 ZINC000629537376 362952028 /nfs/dbraw/zinc/95/20/28/362952028.db2.gz IOFLDPXOJAADNA-CYBMUJFWSA-N 2 0 289.383 1.283 10 0 CDAERP CN1C(=O)c2ccccc2[C@@H]1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000629537936 362954115 /nfs/dbraw/zinc/95/41/15/362954115.db2.gz MXMMDUMOENEZOL-ZJOBFFGXSA-N 2 0 299.418 1.791 10 0 CDAERP Cc1noc([C@@H]2OCC[C@@H]2[NH2+][C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000629545766 362970254 /nfs/dbraw/zinc/97/02/54/362970254.db2.gz PJGLAUKMMARBJL-NOOOWODRSA-N 2 0 266.345 1.068 10 0 CDAERP CC[C@H]1CN([C@@H](C[NH3+])c2cccc(F)c2)CC[N@@H+]1C ZINC000110921107 186332293 /nfs/dbraw/zinc/33/22/93/186332293.db2.gz BRWRMDSDQKKOAB-GJZGRUSLSA-N 2 0 265.376 1.852 10 0 CDAERP C[N@@H+]1CCN(Cc2ccc3c(c2)C[NH2+]CC3)C(C)(C)C1 ZINC000621776662 350772815 /nfs/dbraw/zinc/77/28/15/350772815.db2.gz RUPTYUWVNIIOAZ-UHFFFAOYSA-N 2 0 273.424 1.858 10 0 CDAERP CCn1nccc1CC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000621776690 350773112 /nfs/dbraw/zinc/77/31/12/350773112.db2.gz SSUJINBBPNMVMS-HOCLYGCPSA-N 2 0 276.428 1.910 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CC([NH+](C)C)C1 ZINC000622009760 350933163 /nfs/dbraw/zinc/93/31/63/350933163.db2.gz JINUQODIXKEEPP-WXRRBKDZSA-N 2 0 253.390 1.070 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000629570469 363016441 /nfs/dbraw/zinc/01/64/41/363016441.db2.gz KZASIVLALSGYIY-UHFFFAOYSA-N 2 0 258.312 1.633 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)CCc1ccc2c(c1)CCO2 ZINC000629570657 363018412 /nfs/dbraw/zinc/01/84/12/363018412.db2.gz FRNMUSMCHUALFW-UHFFFAOYSA-N 2 0 278.396 1.332 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)[C@H]1CCc2ccccc2NC1=O ZINC000629571776 363027128 /nfs/dbraw/zinc/02/71/28/363027128.db2.gz JCSXRXGNASHJEU-HNNXBMFYSA-N 2 0 291.395 1.108 10 0 CDAERP C[NH2+]CCCN1CCC[C@@H](C[NH3+])[C@H]1C(F)(F)F ZINC000629581564 363045493 /nfs/dbraw/zinc/04/54/93/363045493.db2.gz BHUAZKPYDJWSGU-UWVGGRQHSA-N 2 0 253.312 1.198 10 0 CDAERP CCC[NH2+]CCNC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000418476871 535162506 /nfs/dbraw/zinc/16/25/06/535162506.db2.gz AZALVIGXWPJTLX-UHFFFAOYSA-N 2 0 292.427 1.199 10 0 CDAERP CC(C)(C)O[C@H]1C[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000629585494 363053049 /nfs/dbraw/zinc/05/30/49/363053049.db2.gz VTJZOVDTIWRAOG-IHRRRGAJSA-N 2 0 270.417 1.379 10 0 CDAERP C[C@@H](CCNC(=O)NC/C=C/C[NH3+])[NH+]1CCCCC1 ZINC000669558385 482681165 /nfs/dbraw/zinc/68/11/65/482681165.db2.gz ZVZGYRXUPAHWJH-OOPCZODUSA-N 2 0 268.405 1.065 10 0 CDAERP O=C(NCCC[C@@H]1CCC[NH2+]1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000641988302 366093186 /nfs/dbraw/zinc/09/31/86/366093186.db2.gz SHNDJWFIEOTRPT-MELADBBJSA-N 2 0 280.416 1.055 10 0 CDAERP C[N@H+](C[C@@H](O)CNCc1ccc(Cl)o1)C1CC1 ZINC000644519507 366136895 /nfs/dbraw/zinc/13/68/95/366136895.db2.gz OCWKMGGQCPQVMS-JTQLQIEISA-N 2 0 258.749 1.478 10 0 CDAERP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)C2(OC)CCOCC2)C1 ZINC000453099177 363284537 /nfs/dbraw/zinc/28/45/37/363284537.db2.gz QKRUFSIBZTZPST-LSDHHAIUSA-N 2 0 284.444 1.892 10 0 CDAERP C(O[C@@H]1CC[NH2+]C1)C1CC[NH+](C[C@H]2CCSC2)CC1 ZINC000629673537 363319951 /nfs/dbraw/zinc/31/99/51/363319951.db2.gz UFJGVHIESLTNRZ-HUUCEWRRSA-N 2 0 284.469 1.830 10 0 CDAERP C[N@H+](CCOCC[NH3+])Cc1cnc(-c2ccccn2)s1 ZINC000629664757 363320252 /nfs/dbraw/zinc/32/02/52/363320252.db2.gz RCBLFGHKORKWNY-UHFFFAOYSA-N 2 0 292.408 1.612 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[NH+](CC(C)C)CC1 ZINC000193444806 363321582 /nfs/dbraw/zinc/32/15/82/363321582.db2.gz JWOYSQGCWAGRMH-OAHLLOKOSA-N 2 0 298.475 1.700 10 0 CDAERP C[C@H]1C[C@H](C[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)CC[NH2+]1 ZINC000629661029 363316485 /nfs/dbraw/zinc/31/64/85/363316485.db2.gz AKCTYQHGSZDNSY-LJISPDSOSA-N 2 0 252.402 1.469 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CC[NH+](C3CCCC3)CC2)CC[NH2+]1 ZINC000235717759 291039855 /nfs/dbraw/zinc/03/98/55/291039855.db2.gz YMTJZCKMYISNFM-KBPBESRZSA-N 2 0 279.428 1.461 10 0 CDAERP C[NH2+]C[C@H]1CCN(Cc2cc(-c3cnn(C)c3)no2)C1 ZINC000570162779 363397302 /nfs/dbraw/zinc/39/73/02/363397302.db2.gz YJSDBGMJXCSVRW-LLVKDONJSA-N 2 0 275.356 1.116 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3n[nH]cc3C2)[C@@H]2CCC[C@@H]21 ZINC000353629346 283141345 /nfs/dbraw/zinc/14/13/45/283141345.db2.gz FFPVOLHIZUBIHU-VRKREXBASA-N 2 0 274.412 1.729 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@]23CCC[C@H]2C[NH2+]C3)CC1 ZINC000634765840 358503430 /nfs/dbraw/zinc/50/34/30/358503430.db2.gz GRTTVWUAYIOQEB-HOCLYGCPSA-N 2 0 279.428 1.224 10 0 CDAERP CN(C)c1cc[nH+]cc1C(=O)NCC(C)(C)[NH+](C)C ZINC000273602171 192224815 /nfs/dbraw/zinc/22/48/15/192224815.db2.gz VSDYRMDAUXMEKX-UHFFFAOYSA-N 2 0 264.373 1.218 10 0 CDAERP CCN(C(=O)[C@H]1CCn2cc(C)nc2C1)[C@H]1CC[N@H+](C)C1 ZINC000628053741 356455739 /nfs/dbraw/zinc/45/57/39/356455739.db2.gz IBGRPPWWTXTVBO-KBPBESRZSA-N 2 0 290.411 1.307 10 0 CDAERP C[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000132197257 538772685 /nfs/dbraw/zinc/77/26/85/538772685.db2.gz FZRQYAMJFGLJBA-PBHICJAKSA-N 2 0 276.424 1.910 10 0 CDAERP C[C@](O)(C[C@H](O)C[NH2+]C1CC[NH+](CC2CC2)CC1)C1CC1 ZINC000634700567 357371984 /nfs/dbraw/zinc/37/19/84/357371984.db2.gz BMMODOPTIFRUNU-IRXDYDNUSA-N 2 0 296.455 1.362 10 0 CDAERP CC[NH+](CC)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH3+] ZINC000058041262 357375573 /nfs/dbraw/zinc/37/55/73/357375573.db2.gz XYPBNUADZAVHOL-NEPJUHHUSA-N 2 0 271.405 1.522 10 0 CDAERP C[C@H](NC1CC[NH+](C(C)(C)C)CC1)[C@@H]1CC[NH2+]C1 ZINC000400344430 299272223 /nfs/dbraw/zinc/27/22/23/299272223.db2.gz GPKNJUSZFMXXQY-QWHCGFSZSA-N 2 0 253.434 1.837 10 0 CDAERP Cc1ccc([C@@H]([NH3+])C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1 ZINC000634743738 358191399 /nfs/dbraw/zinc/19/13/99/358191399.db2.gz CGZNFXFLWGHIRC-OIISXLGYSA-N 2 0 287.407 1.453 10 0 CDAERP COC[C@H](C)[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195296565 358426078 /nfs/dbraw/zinc/42/60/78/358426078.db2.gz FGNOWESVQKWLBC-GOEBONIOSA-N 2 0 277.412 1.870 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCCC23CC3)CC1 ZINC000572617793 358588012 /nfs/dbraw/zinc/58/80/12/358588012.db2.gz HYGALFVHDLTENX-OAHLLOKOSA-N 2 0 265.445 1.936 10 0 CDAERP C[N@@H+]1C[C@H]2CCN(C(=O)Cc3cn4ccccc4n3)[C@H]2C1 ZINC000644815515 358592018 /nfs/dbraw/zinc/59/20/18/358592018.db2.gz PNONFLXIAXIWDB-OCCSQVGLSA-N 2 0 284.363 1.039 10 0 CDAERP COC(=O)[C@@]12C[N@H+](Cc3ccccc3)C[C@@H]1CN(C)CC2 ZINC000098108644 358813683 /nfs/dbraw/zinc/81/36/83/358813683.db2.gz AICAWMVPASBRSQ-RDJZCZTQSA-N 2 0 288.391 1.613 10 0 CDAERP CC1CC[NH+](CCN2CCCC[C@@H]2C(=[NH2+])NO)CC1 ZINC000363774241 358956215 /nfs/dbraw/zinc/95/62/15/358956215.db2.gz DMPZUKUTFVMJDB-CYBMUJFWSA-N 2 0 268.405 1.529 10 0 CDAERP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000564948630 359031600 /nfs/dbraw/zinc/03/16/00/359031600.db2.gz UHCLKFRZGHZGMA-COPLHBTASA-N 2 0 261.369 1.434 10 0 CDAERP C[C@@H](C[NH+](C)C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000346277509 358995166 /nfs/dbraw/zinc/99/51/66/358995166.db2.gz UELVOZNZWBPVLO-ZDUSSCGKSA-N 2 0 269.433 1.565 10 0 CDAERP c1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)cc1 ZINC000261889121 359078592 /nfs/dbraw/zinc/07/85/92/359078592.db2.gz GGXVRXKBUYPIKM-GVDBMIGSSA-N 2 0 274.408 1.976 10 0 CDAERP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCc1nnc2ccccn21 ZINC000057653166 359105079 /nfs/dbraw/zinc/10/50/79/359105079.db2.gz BAWRKQALHLTCPZ-AGIUHOORSA-N 2 0 273.384 1.548 10 0 CDAERP Fc1cccc(F)c1N1CC[C@@H](N[C@H]2CCC[NH2+]C2)C1 ZINC000335252969 359136718 /nfs/dbraw/zinc/13/67/18/359136718.db2.gz UKZIPSJINKEBEZ-NWDGAFQWSA-N 2 0 281.350 1.885 10 0 CDAERP CC[C@H]1C[N@H+](CC)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC000456392337 363646222 /nfs/dbraw/zinc/64/62/22/363646222.db2.gz XCXXNHNAPWVSPB-HNNXBMFYSA-N 2 0 281.444 1.661 10 0 CDAERP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000335536789 291188894 /nfs/dbraw/zinc/18/88/94/291188894.db2.gz SAFLKYUJPFAKGA-RISCZKNCSA-N 2 0 265.401 1.118 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000422889467 359666790 /nfs/dbraw/zinc/66/67/90/359666790.db2.gz PRHCQUIFEYVINZ-KBXIAJHMSA-N 2 0 253.434 1.837 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@H]1COc2cc(OC)ccc2C1 ZINC000423020590 359743633 /nfs/dbraw/zinc/74/36/33/359743633.db2.gz CBZOJZRBINZFLA-ZIAGYGMSSA-N 2 0 294.395 1.342 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2COCCO2)[C@@H](C)C1 ZINC000336714091 359760877 /nfs/dbraw/zinc/76/08/77/359760877.db2.gz QGFGLLMYMBGVMQ-IHRRRGAJSA-N 2 0 256.390 1.064 10 0 CDAERP COC(C)(C)CC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000336827692 359900840 /nfs/dbraw/zinc/90/08/40/359900840.db2.gz FUCGAOJQYHJCRY-UHFFFAOYSA-N 2 0 284.444 1.846 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C3CC3)C[C@@H](C)C2)C1 ZINC000566456532 360290284 /nfs/dbraw/zinc/29/02/84/360290284.db2.gz NCVNTTUZGTYIRY-ZIAGYGMSSA-N 2 0 279.428 1.271 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000636200600 363734282 /nfs/dbraw/zinc/73/42/82/363734282.db2.gz GGHAHZZVIJTIBW-GJZGRUSLSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)NCC2([NH3+])CCCCC2)CC[N@@H+]1C ZINC000335609484 360588190 /nfs/dbraw/zinc/58/81/90/360588190.db2.gz XDYXKTKKBPGYME-ZIAGYGMSSA-N 2 0 296.459 1.772 10 0 CDAERP C[C@H](C[NH2+][C@H]1CC[C@H]1C1CCC1)N1CC[NH+](C)CC1 ZINC000337990396 360604548 /nfs/dbraw/zinc/60/45/48/360604548.db2.gz SEPFDZHHBWPQFE-KBMXLJTQSA-N 2 0 265.445 1.791 10 0 CDAERP CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000626928654 360646369 /nfs/dbraw/zinc/64/63/69/360646369.db2.gz GGNUXOOBFKGLHC-GXTWGEPZSA-N 2 0 282.432 1.156 10 0 CDAERP C(N1CCCC[C@H]([NH+]2CCCC2)C1)C12CC(C1)C[NH2+]2 ZINC000634992384 360619302 /nfs/dbraw/zinc/61/93/02/360619302.db2.gz NBWBLCXQQOSFTD-PCKAHOCUSA-N 2 0 263.429 1.689 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[N@@H+]1C1CC1 ZINC000417857665 360784989 /nfs/dbraw/zinc/78/49/89/360784989.db2.gz OOUYLKPYCVNERT-MQYQWHSLSA-N 2 0 292.427 1.148 10 0 CDAERP C[NH2+]C[C@H](C)CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000417941751 283583061 /nfs/dbraw/zinc/58/30/61/283583061.db2.gz SHFXDJKLYNQALD-HSBZDZAISA-N 2 0 284.448 1.262 10 0 CDAERP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000417943141 296025184 /nfs/dbraw/zinc/02/51/84/296025184.db2.gz UNAYWLZLCVRKQF-FEWQNLEASA-N 2 0 296.459 1.486 10 0 CDAERP CC(C)OC(=O)CC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000568392507 294027509 /nfs/dbraw/zinc/02/75/09/294027509.db2.gz FRECWMGCAUFZAM-CQSZACIVSA-N 2 0 254.374 1.404 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000121980624 370690492 /nfs/dbraw/zinc/69/04/92/370690492.db2.gz IUKJALSUXKCXQE-HUUCEWRRSA-N 2 0 298.475 1.890 10 0 CDAERP C[C@]1(C[NH2+]C[C@H](O)C[NH+]2CCCCC2)CCCS1 ZINC000311238517 361719171 /nfs/dbraw/zinc/71/91/71/361719171.db2.gz VFVORWIRCFUMFF-UONOGXRCSA-N 2 0 272.458 1.709 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000162156904 363899817 /nfs/dbraw/zinc/89/98/17/363899817.db2.gz DBSOYUILSIBZDY-HZSPNIEDSA-N 2 0 265.401 1.071 10 0 CDAERP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000644141867 363985402 /nfs/dbraw/zinc/98/54/02/363985402.db2.gz GWVTZPVYKAFMLB-WUHRBBMRSA-N 2 0 271.380 1.100 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000566408352 370706699 /nfs/dbraw/zinc/70/66/99/370706699.db2.gz XPYLSHQEXJYZHT-KRWDZBQOSA-N 2 0 287.407 1.404 10 0 CDAERP C[C@H]([NH3+])CCC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000248891740 364341048 /nfs/dbraw/zinc/34/10/48/364341048.db2.gz WKACRIKYDOIPAM-MCIONIFRSA-N 2 0 283.460 1.987 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000461616739 364445516 /nfs/dbraw/zinc/44/55/16/364445516.db2.gz CTTLXTYWXYWHGJ-ILXRZTDVSA-N 2 0 283.460 1.953 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCOC)C1 ZINC001661045200 1172328965 /nfs/dbraw/zinc/32/89/65/1172328965.db2.gz BMCPXMHUYXOBTF-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCCO)CC1 ZINC000304964990 370815181 /nfs/dbraw/zinc/81/51/81/370815181.db2.gz OYVZRGBKHXLQHL-UHFFFAOYSA-N 2 0 291.439 1.691 10 0 CDAERP CCCn1cc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cn1 ZINC000414801881 241395216 /nfs/dbraw/zinc/39/52/16/241395216.db2.gz MIYHFPVVNVBMED-KGLIPLIRSA-N 2 0 250.390 1.900 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627038638 367280336 /nfs/dbraw/zinc/28/03/36/367280336.db2.gz PMMQMIUMBNPDTR-MCIONIFRSA-N 2 0 284.448 1.547 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627038981 367280547 /nfs/dbraw/zinc/28/05/47/367280547.db2.gz XQBYVILETCNTOS-RWMBFGLXSA-N 2 0 270.421 1.155 10 0 CDAERP C[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2CC[NH2+]C2)[C@H]1c1ccccc1 ZINC000627006414 367229430 /nfs/dbraw/zinc/22/94/30/367229430.db2.gz VZOUWMOXBOBLDE-RBSFLKMASA-N 2 0 288.395 1.093 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000627019521 367243269 /nfs/dbraw/zinc/24/32/69/367243269.db2.gz GNURMHXWQBXFDZ-UONOGXRCSA-N 2 0 296.459 1.548 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)N[C@H](C[NH3+])C1CCCC1)C2 ZINC000627087783 367416526 /nfs/dbraw/zinc/41/65/26/367416526.db2.gz CFCOJHORIVLVMN-BMFZPTHFSA-N 2 0 294.443 1.145 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000627075936 367361774 /nfs/dbraw/zinc/36/17/74/367361774.db2.gz QKLDCZBMGXWQHO-MJBXVCDLSA-N 2 0 282.432 1.334 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+]Cc2cnccc2C)CC1 ZINC000280349870 367362058 /nfs/dbraw/zinc/36/20/58/367362058.db2.gz RGEATCYBVSDDQT-UHFFFAOYSA-N 2 0 276.428 1.507 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627112615 367463402 /nfs/dbraw/zinc/46/34/02/367463402.db2.gz ZFTQKTZNMKIJQD-IUODEOHRSA-N 2 0 290.411 1.346 10 0 CDAERP C[C@@H]1CN(C)C[C@@H]1[NH2+]CCNC(=O)c1ccccc1Cl ZINC000358140373 367464125 /nfs/dbraw/zinc/46/41/25/367464125.db2.gz MWEQSTYMKRFXDW-RISCZKNCSA-N 2 0 295.814 1.610 10 0 CDAERP CC1=CCN(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000358244145 367537776 /nfs/dbraw/zinc/53/77/76/367537776.db2.gz WEUPIUTTWRWRPU-OWCLPIDISA-N 2 0 265.445 1.957 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627129898 367505787 /nfs/dbraw/zinc/50/57/87/367505787.db2.gz YMIONCLUSIVRGY-CYBMUJFWSA-N 2 0 282.432 1.254 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000627167285 367601681 /nfs/dbraw/zinc/60/16/81/367601681.db2.gz CMQMTDGMSQXPHU-QLFBSQMISA-N 2 0 294.443 1.397 10 0 CDAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCC1([NH+](C)C)CCCC1 ZINC000416830811 242174665 /nfs/dbraw/zinc/17/46/65/242174665.db2.gz RXJJHHIYRRWDIC-STQMWFEESA-N 2 0 282.432 1.158 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000417019893 242273150 /nfs/dbraw/zinc/27/31/50/242273150.db2.gz FBGFPXBEGMRMNA-KBPBESRZSA-N 2 0 284.448 1.533 10 0 CDAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCCC[NH3+])C1 ZINC000417215922 242359848 /nfs/dbraw/zinc/35/98/48/242359848.db2.gz ACCPLZCPSCJSHW-HIFRSBDPSA-N 2 0 290.411 1.470 10 0 CDAERP C[C@H]1CC[C@H](NC(=O)N2CCC(C[NH+](C)C)CC2)C[NH2+]1 ZINC000627197075 367686386 /nfs/dbraw/zinc/68/63/86/367686386.db2.gz YDHFIRJGKOLSBK-JSGCOSHPSA-N 2 0 282.432 1.110 10 0 CDAERP CCCC[C@H](C[NH3+])NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000418123939 242682014 /nfs/dbraw/zinc/68/20/14/242682014.db2.gz HJIQOENHNNMJND-WLYUNCDWSA-N 2 0 296.459 1.820 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638070753 368020100 /nfs/dbraw/zinc/02/01/00/368020100.db2.gz WBRMHLZJBJRROT-AAEUAGOBSA-N 2 0 251.374 1.025 10 0 CDAERP C[C@H]1CCC[C@@](CNC(=O)CCC2C[NH2+]C2)([NH+](C)C)C1 ZINC000638077863 368108923 /nfs/dbraw/zinc/10/89/23/368108923.db2.gz CAFOBWOOQUQMLC-XJKSGUPXSA-N 2 0 281.444 1.613 10 0 CDAERP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]C[C@H](O)CC1CCCC1 ZINC000564210614 368357436 /nfs/dbraw/zinc/35/74/36/368357436.db2.gz GNTJGPURMVAZKU-IAGOWNOFSA-N 2 0 298.471 1.754 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](C)[NH+](C3CC3)C2)CC[N@@H+]1C ZINC000631710077 368561065 /nfs/dbraw/zinc/56/10/65/368561065.db2.gz OLAPQIWDAAINON-PAPYEOQZSA-N 2 0 279.428 1.458 10 0 CDAERP C[NH2+][C@H]1CCCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000567233623 370925219 /nfs/dbraw/zinc/92/52/19/370925219.db2.gz ZUDIUCWIWQHJSM-KBPBESRZSA-N 2 0 267.417 1.461 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(=O)[nH]n2)CC1 ZINC000330620106 203046639 /nfs/dbraw/zinc/04/66/39/203046639.db2.gz ZXFXTKPQRCTIRI-GFCCVEGCSA-N 2 0 278.400 1.955 10 0 CDAERP C[NH+](C)CC1(C(=O)N2CC[C@H]([NH2+]CCCCCF)C2)CC1 ZINC001661342218 1172371869 /nfs/dbraw/zinc/37/18/69/1172371869.db2.gz FFEUPQWBHGLUPO-AWEZNQCLSA-N 2 0 299.434 1.659 10 0 CDAERP COc1cc(C)nc(C[NH2+]CC2(C)CC[NH2+]CC2)c1 ZINC000414901274 369556262 /nfs/dbraw/zinc/55/62/62/369556262.db2.gz JLZXUFINBOZSQU-UHFFFAOYSA-N 2 0 263.385 1.878 10 0 CDAERP OC[C@@H]1CCCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000369027530 369669540 /nfs/dbraw/zinc/66/95/40/369669540.db2.gz MMMGSDGRSNRDKC-OAHLLOKOSA-N 2 0 254.418 1.957 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)CCC2C[NH2+]C2)C1 ZINC000638401155 369752362 /nfs/dbraw/zinc/75/23/62/369752362.db2.gz PKNGTFTZBVVSQE-ZDUSSCGKSA-N 2 0 267.417 1.223 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](C3CCCC3)CC2)CC[N@@H+]1C ZINC000630690848 369789632 /nfs/dbraw/zinc/78/96/32/369789632.db2.gz UVLYDAIVSFUQBV-JKSUJKDBSA-N 2 0 293.455 1.804 10 0 CDAERP [NH3+]CCCC[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000414915688 370212309 /nfs/dbraw/zinc/21/23/09/370212309.db2.gz ZKUFVPFDRAKBRR-UHFFFAOYSA-N 2 0 253.293 1.990 10 0 CDAERP C[NH2+]C[C@@H]1CCCN1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000418134533 370197108 /nfs/dbraw/zinc/19/71/08/370197108.db2.gz PJXVFXRQSBTNMW-SLTAFYQDSA-N 2 0 294.443 1.397 10 0 CDAERP [NH3+]C1(CNC(=O)N[C@H]2CCc3[nH]cnc3C2)CCCCC1 ZINC000418231069 370310480 /nfs/dbraw/zinc/31/04/80/370310480.db2.gz FSNZNKYSVRONFY-NSHDSACASA-N 2 0 291.399 1.228 10 0 CDAERP C[N@H+](CCCCNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)C1CC1 ZINC000418269732 370362546 /nfs/dbraw/zinc/36/25/46/370362546.db2.gz QQYYTFVXVYMMHN-HNNXBMFYSA-N 2 0 294.443 1.397 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000567505139 371014407 /nfs/dbraw/zinc/01/44/07/371014407.db2.gz NMODTXJSDZDHAV-OUCADQQQSA-N 2 0 253.390 1.118 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NCc1cnn(C(C)(C)C)c1 ZINC000414959133 371072898 /nfs/dbraw/zinc/07/28/98/371072898.db2.gz PRFSWFLWKVRMRG-YPMHNXCESA-N 2 0 250.390 1.726 10 0 CDAERP Cc1nccnc1CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000340488218 371116855 /nfs/dbraw/zinc/11/68/55/371116855.db2.gz GEYAACYQKXVZPC-NUEKZKHPSA-N 2 0 274.412 1.790 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422869578 245356356 /nfs/dbraw/zinc/35/63/56/245356356.db2.gz XODLTHRTDRKUSX-JKXDFHQYSA-N 2 0 251.418 1.733 10 0 CDAERP CC[NH+](CC)CCCN1CC2CCC1(C[NH3+])CC2 ZINC000572985665 371372740 /nfs/dbraw/zinc/37/27/40/371372740.db2.gz KLWFMKBGGJCQTP-UHFFFAOYSA-N 2 0 253.434 1.922 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)NC1CC[NH2+]CC1 ZINC000573719401 371631389 /nfs/dbraw/zinc/63/13/89/371631389.db2.gz MUKSKYJMSIASPJ-ZDUSSCGKSA-N 2 0 253.390 1.119 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]Cc2cccnc2-n2ccnc2)[C@H](C)O1 ZINC000296543594 371810940 /nfs/dbraw/zinc/81/09/40/371810940.db2.gz UBIXWWWPQNZGDY-DYEKYZERSA-N 2 0 272.352 1.923 10 0 CDAERP Cc1nn(C)c(C)c1CCC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000423018957 245500394 /nfs/dbraw/zinc/50/03/94/245500394.db2.gz SPJLKAPARPKHHK-ZFWWWQNUSA-N 2 0 264.417 1.687 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CC1C[C@H](C)O[C@@H](C)C1 ZINC000423098339 245566439 /nfs/dbraw/zinc/56/64/39/245566439.db2.gz KKXCCIOJKKCSCB-OBJOEFQTSA-N 2 0 258.406 1.534 10 0 CDAERP CC(C)[NH+]1CCN(C2CC[NH+](CC3(O)CCC3)CC2)CC1 ZINC000341012041 373171181 /nfs/dbraw/zinc/17/11/81/373171181.db2.gz PGSOHTFTZSPECY-UHFFFAOYSA-N 2 0 295.471 1.392 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])C1 ZINC000645684851 373242217 /nfs/dbraw/zinc/24/22/17/373242217.db2.gz JGOXBLTXIYJDBM-OBJOEFQTSA-N 2 0 253.390 1.104 10 0 CDAERP CN(CC[NH2+]C1CCC([NH3+])CC1)Cc1ccccc1 ZINC000386814465 373444517 /nfs/dbraw/zinc/44/45/17/373444517.db2.gz FCBLDUAPVZYVKX-UHFFFAOYSA-N 2 0 261.413 1.978 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2CC[NH2+]CC2)[C@@H]2CCC[C@H]21 ZINC000581997012 373476149 /nfs/dbraw/zinc/47/61/49/373476149.db2.gz CLNOMQKYDJMTDE-SOUVJXGZSA-N 3 0 251.418 1.448 10 0 CDAERP CC[NH+](CC)CCCN1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000191459115 373493482 /nfs/dbraw/zinc/49/34/82/373493482.db2.gz CWVZVNWUYVXHSQ-INIZCTEOSA-N 2 0 297.487 1.903 10 0 CDAERP C[C@@]([NH3+])(C(=O)N1CCC[N@@H+](C2CC2)CC1)c1ccccc1 ZINC000192525624 373618202 /nfs/dbraw/zinc/61/82/02/373618202.db2.gz DXERJDDXTONITN-KRWDZBQOSA-N 2 0 287.407 1.557 10 0 CDAERP CC[C@@H]1CN([C@H]2CCN(C3CCC3)C2=O)CC[C@@H]1[NH3+] ZINC000631824388 373709205 /nfs/dbraw/zinc/70/92/05/373709205.db2.gz DHUBTDONUWBHLW-XBFCOCLRSA-N 2 0 265.401 1.199 10 0 CDAERP CCC[N@H+](C)CC(=O)NCC[NH+]1[C@H](C)CCC[C@@H]1C ZINC000341411224 373672962 /nfs/dbraw/zinc/67/29/62/373672962.db2.gz XTTZKEHINVPIPC-OKILXGFUSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)[NH2+]CCN1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000193442978 373747470 /nfs/dbraw/zinc/74/74/70/373747470.db2.gz SJAIRINUTKZOJI-OAHLLOKOSA-N 2 0 269.433 1.029 10 0 CDAERP C[C@@H]1CN(CC(=O)Nc2ccc(Cl)cn2)C[C@H]1C[NH3+] ZINC000631839758 373782305 /nfs/dbraw/zinc/78/23/05/373782305.db2.gz KMLARLXTAXWEAY-NXEZZACHSA-N 2 0 282.775 1.200 10 0 CDAERP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631842472 373864058 /nfs/dbraw/zinc/86/40/58/373864058.db2.gz AWFDWOWRKLWUPQ-LXTVHRRPSA-N 2 0 281.444 1.693 10 0 CDAERP C[C@H]1C[N@H+](C)C[C@H]1NC1CC[NH+](CC2CC2)CC1 ZINC000341875860 373959696 /nfs/dbraw/zinc/95/96/96/373959696.db2.gz DINPUPORNGCWOM-SWLSCSKDSA-N 2 0 251.418 1.401 10 0 CDAERP CC(C)[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000037826012 374038281 /nfs/dbraw/zinc/03/82/81/374038281.db2.gz LPBTZBOVPWSWRV-OAHLLOKOSA-N 2 0 281.444 1.565 10 0 CDAERP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cc(C)no2)CC1 ZINC000631042348 374640174 /nfs/dbraw/zinc/64/01/74/374640174.db2.gz PSYQZPFAPAUPQC-ZDUSSCGKSA-N 2 0 266.389 1.099 10 0 CDAERP CC(C)(C)[C@H](O)C[C@H](CO)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000342822301 374608155 /nfs/dbraw/zinc/60/81/55/374608155.db2.gz FXQNBNZIJZISRQ-KBUPBQIOSA-N 2 0 284.444 1.361 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+]Cc2ccc(C(F)F)nc2)CC1 ZINC000631077280 375056435 /nfs/dbraw/zinc/05/64/35/375056435.db2.gz DMSMNFUDBRYALU-UHFFFAOYSA-N 2 0 285.338 1.566 10 0 CDAERP CCC[C@@H](C(=O)N1CC[NH+](C2CCOCC2)CC1)[NH+](C)C ZINC000128646669 375145731 /nfs/dbraw/zinc/14/57/31/375145731.db2.gz RBCMAEMWWSDXGC-HNNXBMFYSA-N 2 0 297.443 1.040 10 0 CDAERP Cc1cn2c(n1)C[C@@H](C(=O)N(C)C[C@H]1CCC[N@@H+]1C)CC2 ZINC000627796385 375688559 /nfs/dbraw/zinc/68/85/59/375688559.db2.gz QHMPGNBKIWEMJC-UONOGXRCSA-N 2 0 290.411 1.307 10 0 CDAERP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)[C@H]1CCC[NH2+]C1 ZINC000643479621 375850926 /nfs/dbraw/zinc/85/09/26/375850926.db2.gz FCEZQRKUOYNRIO-KGLIPLIRSA-N 3 0 253.434 1.696 10 0 CDAERP C[N@H+]1C[C@@H]2C[NH+](CCC(=O)Nc3ccccc3F)C[C@@H]2C1 ZINC000193603888 375879483 /nfs/dbraw/zinc/87/94/83/375879483.db2.gz CHZFJQFCKOFZIP-BETUJISGSA-N 2 0 291.370 1.648 10 0 CDAERP [NH3+]CCCC(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000167778983 375933122 /nfs/dbraw/zinc/93/31/22/375933122.db2.gz XHFUKFRNFICMTD-ZDUSSCGKSA-N 2 0 253.390 1.202 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)NC[C@H](C)C[NH3+])CC1 ZINC000417384222 376032015 /nfs/dbraw/zinc/03/20/15/376032015.db2.gz CHTSRSIZKGQYRI-GFCCVEGCSA-N 2 0 270.421 1.002 10 0 CDAERP COCC1(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CCOCC1 ZINC000425935180 376053862 /nfs/dbraw/zinc/05/38/62/376053862.db2.gz CKATWTPPBSPCNX-OAGGEKHMSA-N 2 0 296.455 1.892 10 0 CDAERP O=C(CN1CCC[C@@]2(CC[NH2+]C2)C1)NC(C1CC1)C1CC1 ZINC000420354661 376334318 /nfs/dbraw/zinc/33/43/18/376334318.db2.gz BXZBERQLEZELSC-KRWDZBQOSA-N 2 0 291.439 1.367 10 0 CDAERP C[NH2+]CCC1CCN(Cc2nc(CC3CC3)no2)CC1 ZINC000631823936 376650692 /nfs/dbraw/zinc/65/06/92/376650692.db2.gz RAUXEVHRQVSOBL-UHFFFAOYSA-N 2 0 278.400 1.844 10 0 CDAERP CCN(CC(F)(F)F)C(=O)CN1CC[C@](C)(C[NH3+])C1 ZINC000631825849 376655716 /nfs/dbraw/zinc/65/57/16/376655716.db2.gz XCRJQGYIHPLCGN-LLVKDONJSA-N 2 0 281.322 1.068 10 0 CDAERP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631840995 376693637 /nfs/dbraw/zinc/69/36/37/376693637.db2.gz HBSQUCZGBLGERX-VOAKCMCISA-N 2 0 255.406 1.206 10 0 CDAERP CNC(=O)c1ccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631888050 376782279 /nfs/dbraw/zinc/78/22/79/376782279.db2.gz SQWIFXPJLDGAEY-HZPDHXFCSA-N 2 0 287.407 1.620 10 0 CDAERP Cc1nccn1CCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631890447 376785442 /nfs/dbraw/zinc/78/54/42/376785442.db2.gz PJKJGTBHLKBPRR-CABCVRRESA-N 2 0 262.401 1.656 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2C[C@@H](C)[NH+](C3CC3)C2)C1 ZINC000247099593 377052197 /nfs/dbraw/zinc/05/21/97/377052197.db2.gz ZDFSGNKCDQLICE-HZSPNIEDSA-N 2 0 294.443 1.395 10 0 CDAERP CC[N@@H+]1CCN(Cc2cncn2C(C)C)[C@H](C)C1 ZINC000425386099 376990179 /nfs/dbraw/zinc/99/01/79/376990179.db2.gz SJTCVHDBISKHBC-CYBMUJFWSA-N 2 0 250.390 1.990 10 0 CDAERP CC[C@]1(C(=O)N2CCC([NH+](C)C)CC2)CCC[NH2+]1 ZINC000128782562 377319382 /nfs/dbraw/zinc/31/93/82/377319382.db2.gz AMJMZDZIHRIERR-CQSZACIVSA-N 2 0 253.390 1.071 10 0 CDAERP C[N@@H+]1CCC[C@@H](CCNC(=O)N2CC[NH+]3CCC2CC3)C1 ZINC000334798442 377416724 /nfs/dbraw/zinc/41/67/24/377416724.db2.gz WRASPGZGHKHGGD-AWEZNQCLSA-N 2 0 294.443 1.208 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CCN[C@H](c3ccccc3)C2)C1 ZINC000334753408 377460589 /nfs/dbraw/zinc/46/05/89/377460589.db2.gz RYMSKSXZMFHOFZ-CABCVRRESA-N 2 0 273.380 1.111 10 0 CDAERP C[C@@H]1[NH2+]CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)[C@H]1C ZINC000334926038 377691914 /nfs/dbraw/zinc/69/19/14/377691914.db2.gz WFOFTCFRUKPZFO-HESLUPGFSA-N 2 0 296.459 1.499 10 0 CDAERP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCC2(CC[NH2+]C2)CC1 ZINC000334921694 377692569 /nfs/dbraw/zinc/69/25/69/377692569.db2.gz OEDIUPKENGWZOH-CYBMUJFWSA-N 2 0 292.427 1.008 10 0 CDAERP C[C@H]1C[C@@H](N(C)C(=O)NCC2(C)CC[NH2+]CC2)CC[N@@H+]1C ZINC000334936374 377706777 /nfs/dbraw/zinc/70/67/77/377706777.db2.gz VILYOBLCZZYPGL-KBPBESRZSA-N 2 0 296.459 1.500 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@H]1CC ZINC000633148987 378156703 /nfs/dbraw/zinc/15/67/03/378156703.db2.gz BHIOLASEQAUOHS-ZNMIVQPWSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@]1(C(F)F)C[N@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000662334742 412903419 /nfs/dbraw/zinc/90/34/19/412903419.db2.gz CTDWJVAFLZYJJL-WCQYABFASA-N 2 0 262.344 1.732 10 0 CDAERP CCC[NH2+][C@@H](C)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000634300829 379359805 /nfs/dbraw/zinc/35/98/05/379359805.db2.gz MSQYJUJTLFRLPR-QWHCGFSZSA-N 2 0 255.406 1.173 10 0 CDAERP CC(C)[C@H]1CN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC[N@@H+]1C ZINC000634300966 379359898 /nfs/dbraw/zinc/35/98/98/379359898.db2.gz SACIGDGQQDJYHC-MGPQQGTHSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655912798 412915006 /nfs/dbraw/zinc/91/50/06/412915006.db2.gz PVDYDIJOBXBCOA-UWVGGRQHSA-N 2 0 296.337 1.050 10 0 CDAERP CC[C@@H]1C[C@H]1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000448966729 250633298 /nfs/dbraw/zinc/63/32/98/250633298.db2.gz AIEDLGGPCJBALG-HUUCEWRRSA-N 2 0 283.460 1.765 10 0 CDAERP CC(C)[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001662918937 1172614930 /nfs/dbraw/zinc/61/49/30/1172614930.db2.gz LUTSETZEXQABRN-KGLIPLIRSA-N 2 0 269.433 1.752 10 0 CDAERP COCCN1CC[C@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000459778606 285060059 /nfs/dbraw/zinc/06/00/59/285060059.db2.gz LDRFIDOQEPEKPL-GJZGRUSLSA-N 2 0 269.433 1.029 10 0 CDAERP CCC(C)(C)[NH+]1CCN(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000655966745 412979230 /nfs/dbraw/zinc/97/92/30/412979230.db2.gz GLQSZJMTNPYMLA-UONOGXRCSA-N 2 0 296.459 1.500 10 0 CDAERP OC[C@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)CC1CC1 ZINC000657716534 413000035 /nfs/dbraw/zinc/00/00/35/413000035.db2.gz MACOTEFYQWOKJN-AWEZNQCLSA-N 2 0 286.379 1.766 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC1(C[NH3+])CC1 ZINC000653349112 413022011 /nfs/dbraw/zinc/02/20/11/413022011.db2.gz AMANDAHCQHJHOW-GFCCVEGCSA-N 2 0 253.390 1.106 10 0 CDAERP CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[NH+](CC)CC ZINC000654067060 413024300 /nfs/dbraw/zinc/02/43/00/413024300.db2.gz IUNKPCRBGKYRJS-HZSPNIEDSA-N 2 0 269.433 1.563 10 0 CDAERP C[C@H]([NH3+])[C@H](C)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000398237622 390248386 /nfs/dbraw/zinc/24/83/86/390248386.db2.gz ZMSQCTQZELLSDN-YXWQFLTLSA-N 2 0 261.413 1.975 10 0 CDAERP C[NH+](C)Cc1cccc(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)c1 ZINC000646937727 390301092 /nfs/dbraw/zinc/30/10/92/390301092.db2.gz QZGPAHXHQQVNIL-HZPDHXFCSA-N 2 0 287.407 1.524 10 0 CDAERP [NH3+]C[C@H](C(=O)N[C@H]1CCC[NH2+]CC1)c1ccc(F)cc1 ZINC000646988296 390339260 /nfs/dbraw/zinc/33/92/60/390339260.db2.gz LVXHDSWBPNJRIP-KBPBESRZSA-N 2 0 279.359 1.126 10 0 CDAERP CN(C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000648149799 390414659 /nfs/dbraw/zinc/41/46/59/390414659.db2.gz CTRMILVOCXWZBY-NCOADZHNSA-N 2 0 299.418 1.185 10 0 CDAERP CC[NH+](CC)CCN1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000119651736 390547731 /nfs/dbraw/zinc/54/77/31/390547731.db2.gz ZPMVAHDIFJRGIP-MRXNPFEDSA-N 2 0 283.460 1.372 10 0 CDAERP O=C(N1CC[C@@]2(C1)CCC[NH2+]C2)C12CCC[NH+]1CCC2 ZINC000335424756 390852388 /nfs/dbraw/zinc/85/23/88/390852388.db2.gz HQKJJSQVYGXWHU-HNNXBMFYSA-N 2 0 277.412 1.217 10 0 CDAERP C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648209734 390952792 /nfs/dbraw/zinc/95/27/92/390952792.db2.gz AXQNXAJQGGWOPB-STQMWFEESA-N 2 0 281.444 1.802 10 0 CDAERP C[C@@H]1C[NH2+]C[C@@H](NC[C@@H](Cc2ccc(F)cc2)C(N)=O)C1 ZINC000647551544 390996766 /nfs/dbraw/zinc/99/67/66/390996766.db2.gz UTLVYYVIAFZWCB-LNSITVRQSA-N 2 0 293.386 1.057 10 0 CDAERP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647550861 390998758 /nfs/dbraw/zinc/99/87/58/390998758.db2.gz LJPXBJIRDAKVJF-BJKJVOPESA-N 2 0 290.455 1.946 10 0 CDAERP Cc1cccc2nc(CC[NH2+]C[C@@]3(C)CC[NH2+]C3)cn21 ZINC000647553994 391000403 /nfs/dbraw/zinc/00/04/03/391000403.db2.gz OPLVETAROFKKHS-MRXNPFEDSA-N 2 0 272.396 1.774 10 0 CDAERP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CC[NH2+]C23CCCC3)CC[NH2+]1 ZINC000647553481 391000712 /nfs/dbraw/zinc/00/07/12/391000712.db2.gz BDBLNSRAZHCQHC-HZSPNIEDSA-N 3 0 251.418 1.639 10 0 CDAERP CCC[NH+]1CCC(NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000417743780 391008730 /nfs/dbraw/zinc/00/87/30/391008730.db2.gz CYXGDHWVKKLSAP-GXTWGEPZSA-N 2 0 282.432 1.158 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000417745138 391011175 /nfs/dbraw/zinc/01/11/75/391011175.db2.gz FIPFSMXWQVMJCK-LSDHHAIUSA-N 2 0 296.459 1.535 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)NCC(C)(C)[NH3+])CC1 ZINC000417745680 391012105 /nfs/dbraw/zinc/01/21/05/391012105.db2.gz FYDQUAUMENJMRR-UHFFFAOYSA-N 2 0 270.421 1.145 10 0 CDAERP C[NH2+]CCCN(C)Cc1c(C)cc(OC)nc1C ZINC000415138381 391041791 /nfs/dbraw/zinc/04/17/91/391041791.db2.gz VACDVBQATJDOEK-UHFFFAOYSA-N 2 0 251.374 1.748 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C1CC[NH+](C)CC1 ZINC000345498326 391235444 /nfs/dbraw/zinc/23/54/44/391235444.db2.gz ALLUIUXUVONSFC-KBPBESRZSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@]1(CNC(=O)NCC[NH3+])CCC[N@@H+]1Cc1ccccc1 ZINC000418050139 391369197 /nfs/dbraw/zinc/36/91/97/391369197.db2.gz ZNWGZJKIUKOWFH-MRXNPFEDSA-N 2 0 290.411 1.299 10 0 CDAERP CC(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000353456689 391392765 /nfs/dbraw/zinc/39/27/65/391392765.db2.gz WGRANQQBBBVDNX-ARFHVFGLSA-N 2 0 279.428 1.460 10 0 CDAERP Nc1nc(N2CCC[C@]3(CC[NH2+]C3)C2)c2c([nH+]1)CCCC2 ZINC000647708384 391453842 /nfs/dbraw/zinc/45/38/42/391453842.db2.gz JDYCCGMLVMCBRI-MRXNPFEDSA-N 2 0 287.411 1.348 10 0 CDAERP CS[C@H]1CC[C@@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000425356820 391484625 /nfs/dbraw/zinc/48/46/25/391484625.db2.gz MQQJAYDURXPLPJ-KBPBESRZSA-N 2 0 271.474 1.496 10 0 CDAERP C[C@@H]1C[N@H+](C)C[C@@H]1NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000358306318 391547970 /nfs/dbraw/zinc/54/79/70/391547970.db2.gz UPXVDWDPSWPPJG-BSWAZPDLSA-N 2 0 295.471 1.294 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000417547938 391652239 /nfs/dbraw/zinc/65/22/39/391652239.db2.gz HKGCHCGUCIVSJO-QLFBSQMISA-N 2 0 296.459 1.404 10 0 CDAERP COCC1(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647801105 391664693 /nfs/dbraw/zinc/66/46/93/391664693.db2.gz NXFMMLCQCJHCKO-MELADBBJSA-N 2 0 252.402 1.781 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+]Cc1c(Br)cnn1C ZINC000415011797 391722754 /nfs/dbraw/zinc/72/27/54/391722754.db2.gz IJALMHLSQQOYHX-VIFPVBQESA-N 2 0 289.221 1.790 10 0 CDAERP Cc1ccc(O)c(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)n1 ZINC000415023637 391727456 /nfs/dbraw/zinc/72/74/56/391727456.db2.gz LKFUKYYBOTZBBG-JOCQHMNTSA-N 2 0 263.385 1.950 10 0 CDAERP O=C(C[NH2+][C@@H]1CCCSC1)NCC[NH+]1CCCCCC1 ZINC000353674015 130167208 /nfs/dbraw/zinc/16/72/08/130167208.db2.gz QYGQANOVLARFPF-CQSZACIVSA-N 2 0 299.484 1.464 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)cc1 ZINC000647854640 391864720 /nfs/dbraw/zinc/86/47/20/391864720.db2.gz FEFZXDCDRFGZOM-JXJLXUTGSA-N 2 0 259.353 1.073 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000334961876 391988221 /nfs/dbraw/zinc/98/82/21/391988221.db2.gz PASRKUPJMIKGTP-CYBMUJFWSA-N 2 0 279.428 1.367 10 0 CDAERP CC[N@H+](CCNC(=O)N(C)[C@H]1CC[NH+](C)[C@@H](C)C1)C(C)C ZINC000341099584 391949032 /nfs/dbraw/zinc/94/90/32/391949032.db2.gz ZYDMSPPYTJIABE-GJZGRUSLSA-N 2 0 298.475 1.841 10 0 CDAERP C[C@@H]1CC[C@@H](O)C[NH+]1C/C=C/C[N@H+]1C[C@@H](O)CC[C@@H]1C ZINC000646144363 392094283 /nfs/dbraw/zinc/09/42/83/392094283.db2.gz OIRXXAKXAAYAIJ-MMLHHBQTSA-N 2 0 282.428 1.233 10 0 CDAERP CC[NH+](CC)CC(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000649370378 392127713 /nfs/dbraw/zinc/12/77/13/392127713.db2.gz MXKCJUKAHSWYFZ-LBPRGKRZSA-N 2 0 253.390 1.119 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000423050412 392301003 /nfs/dbraw/zinc/30/10/03/392301003.db2.gz LEJFPQOHBRVGDX-CQSZACIVSA-N 2 0 292.427 1.525 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000423092830 392337936 /nfs/dbraw/zinc/33/79/36/392337936.db2.gz DPLWWYGCMVUGSL-MROQNXINSA-N 2 0 254.374 1.435 10 0 CDAERP CC(C)C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)C(=O)NCC[NH+](C)C ZINC000488427827 392356189 /nfs/dbraw/zinc/35/61/89/392356189.db2.gz GWZJQMZTVHWPNZ-IHRRRGAJSA-N 2 0 269.433 1.325 10 0 CDAERP CC[C@H](NCCC[NH2+]Cc1cccnc1)[C@@H]1CCC[NH2+]1 ZINC000423181998 392421086 /nfs/dbraw/zinc/42/10/86/392421086.db2.gz DMYRPEFIENZVIQ-HOTGVXAUSA-N 2 0 276.428 1.682 10 0 CDAERP C[C@H]([NH2+]CCC[NH3+])c1cnn(Cc2ccccc2)c1 ZINC000423186515 392426819 /nfs/dbraw/zinc/42/68/19/392426819.db2.gz KDQWTGIURJSHGZ-ZDUSSCGKSA-N 2 0 258.369 1.931 10 0 CDAERP C[C@@H]([NH2+]CCC[NH3+])c1cnn(Cc2ccccc2)c1 ZINC000423186514 392427463 /nfs/dbraw/zinc/42/74/63/392427463.db2.gz KDQWTGIURJSHGZ-CYBMUJFWSA-N 2 0 258.369 1.931 10 0 CDAERP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)C1CC(F)(F)C1 ZINC000529545445 392478552 /nfs/dbraw/zinc/47/85/52/392478552.db2.gz RLUAWHNLBKDFFP-GFCCVEGCSA-N 2 0 275.387 1.647 10 0 CDAERP Cn1cc(N2CCC[C@H]([NH2+][C@@H]3CCCCC[C@@H]3[NH3+])C2)cn1 ZINC000517123090 392837193 /nfs/dbraw/zinc/83/71/93/392837193.db2.gz PUIYLLUFOIZBRM-CWRNSKLLSA-N 2 0 291.443 1.639 10 0 CDAERP O[C@H](C[NH2+][C@H]1CCCSCC1)C[NH+]1CCCCC1 ZINC000657843907 413056605 /nfs/dbraw/zinc/05/66/05/413056605.db2.gz FEQHKQKTIDFEPN-UONOGXRCSA-N 2 0 272.458 1.709 10 0 CDAERP CC[N@H+](CC(=O)NCCC1CC[NH+](CC)CC1)C1CC1 ZINC000132880148 393143353 /nfs/dbraw/zinc/14/33/53/393143353.db2.gz OWXFNKGEGOEAFK-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000645953356 393430352 /nfs/dbraw/zinc/43/03/52/393430352.db2.gz QPNRKJKSGTYUIM-ARFHVFGLSA-N 2 0 293.455 1.885 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@H](C)Cn2cncn2)CC1 ZINC000657871719 413063994 /nfs/dbraw/zinc/06/39/94/413063994.db2.gz LSOQNQIXZLIBIA-CYBMUJFWSA-N 2 0 265.405 1.378 10 0 CDAERP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]C1CC(CF)(CF)C1 ZINC000657880103 413068847 /nfs/dbraw/zinc/06/88/47/413068847.db2.gz OMBTUTULPJNFFM-CQSZACIVSA-N 2 0 290.398 1.901 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000192101140 140140295 /nfs/dbraw/zinc/14/02/95/140140295.db2.gz MTLOKGKBVHOPKE-VXGBXAGGSA-N 2 0 255.406 1.208 10 0 CDAERP C[NH2+]CC1CCN(C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000237337384 140252856 /nfs/dbraw/zinc/25/28/56/140252856.db2.gz JZXZCOLUZPEOIK-CABCVRRESA-N 2 0 281.444 1.742 10 0 CDAERP [NH3+]C1(CNC(=O)[C@@H]2CCCC[NH2+]2)CCCCCC1 ZINC000237832162 140259766 /nfs/dbraw/zinc/25/97/66/140259766.db2.gz CEPIWTGZXDCVNY-LBPRGKRZSA-N 2 0 253.390 1.296 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC[C@H]1CCC[NH2+]1 ZINC000261572541 140352588 /nfs/dbraw/zinc/35/25/88/140352588.db2.gz AGOHULVABJGGMD-MGPQQGTHSA-N 2 0 265.401 1.214 10 0 CDAERP Cc1cnn(CC[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000261581186 140355085 /nfs/dbraw/zinc/35/50/85/140355085.db2.gz FWZKEHZLPXHASK-OAHLLOKOSA-N 2 0 262.401 1.656 10 0 CDAERP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000261670739 140373344 /nfs/dbraw/zinc/37/33/44/140373344.db2.gz BTOVQRBVHTWLFK-CZAVRGAYSA-N 2 0 297.468 1.104 10 0 CDAERP [NH3+]Cc1ccc2c(c1)CCCN2C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000261794553 140390144 /nfs/dbraw/zinc/39/01/44/140390144.db2.gz DCCZQRNRHOMYFU-CYBMUJFWSA-N 2 0 287.407 1.814 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000261806963 140391112 /nfs/dbraw/zinc/39/11/12/140391112.db2.gz WHMYIAXHXGHALI-VXGBXAGGSA-N 2 0 277.343 1.537 10 0 CDAERP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000261833671 140396886 /nfs/dbraw/zinc/39/68/86/140396886.db2.gz JGIWXAGUCNYYKA-CMPLNLGQSA-N 2 0 291.420 1.769 10 0 CDAERP C[N@@H+](Cc1cc2n(n1)CCC2)CC1CC[NH+](C)CC1 ZINC000649528133 397803457 /nfs/dbraw/zinc/80/34/57/397803457.db2.gz AXJOSFCXELHTCT-UHFFFAOYSA-N 2 0 262.401 1.603 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N(C)CC[NH+](C)C1CC1 ZINC000651194256 397870918 /nfs/dbraw/zinc/87/09/18/397870918.db2.gz AGFXRDGFJLTVIU-UHFFFAOYSA-N 2 0 298.475 1.700 10 0 CDAERP CC[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@@H](O)C(F)F ZINC000651399648 397986296 /nfs/dbraw/zinc/98/62/96/397986296.db2.gz XHCGQEOLSHLZKV-ZMLRMANQSA-N 2 0 264.360 1.711 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N(C)CC[NH+]1CCCCC1 ZINC000650641849 398119326 /nfs/dbraw/zinc/11/93/26/398119326.db2.gz MJBSGCFEVLTZBX-OAHLLOKOSA-N 2 0 298.475 1.844 10 0 CDAERP CCC[NH+]1CCC([NH2+]CC[C@H](COC)OC)CC1 ZINC000658085025 413186863 /nfs/dbraw/zinc/18/68/63/413186863.db2.gz RHHNAFCKXMLBPD-CQSZACIVSA-N 2 0 258.406 1.502 10 0 CDAERP CN(CCC[NH+](C)C)CCNc1cc[nH+]c2ccccc12 ZINC000664248279 413189326 /nfs/dbraw/zinc/18/93/26/413189326.db2.gz YRWSZLHNMMOMQX-UHFFFAOYSA-N 2 0 286.423 1.952 10 0 CDAERP COC(=O)[C@H]1CC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000095020608 147107543 /nfs/dbraw/zinc/10/75/43/147107543.db2.gz FPPPQHKKOKJNJP-QWHCGFSZSA-N 2 0 254.374 1.356 10 0 CDAERP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000105480449 147221069 /nfs/dbraw/zinc/22/10/69/147221069.db2.gz ZCJUXTCSULAJGY-RISCZKNCSA-N 2 0 261.369 1.215 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000175773765 148008643 /nfs/dbraw/zinc/00/86/43/148008643.db2.gz MYTFEEPSXDEILR-CQSZACIVSA-N 2 0 282.432 1.208 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)CC2CC[NH2+]CC2)CC[N@@H+]1C ZINC000178815662 148089782 /nfs/dbraw/zinc/08/97/82/148089782.db2.gz ROXSNXFOKALNFV-TZMCWYRMSA-N 2 0 267.417 1.317 10 0 CDAERP O[C@@H]1C[NH2+]C[C@H]1CNCc1ccccc1OC(F)(F)F ZINC000262087822 149013457 /nfs/dbraw/zinc/01/34/57/149013457.db2.gz GHNWYNPFUHFPKB-GHMZBOCLSA-N 2 0 290.285 1.255 10 0 CDAERP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C1(C[NH3+])CCOCC1 ZINC000262285394 149046695 /nfs/dbraw/zinc/04/66/95/149046695.db2.gz OEGKYJBQICSQKO-CQSZACIVSA-N 2 0 297.443 1.075 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH2+]CC2CC2)[C@H](C)C1 ZINC000262661951 149091606 /nfs/dbraw/zinc/09/16/06/149091606.db2.gz GPFYTTOTLAGESK-TZMCWYRMSA-N 2 0 267.417 1.175 10 0 CDAERP COCC[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658143198 413231157 /nfs/dbraw/zinc/23/11/57/413231157.db2.gz XMFJESOSRQENPS-YOEHRIQHSA-N 2 0 292.423 1.768 10 0 CDAERP O=C1[C@@H](N2CCC[C@]3(CC[NH2+]C3)C2)CCN1c1ccccc1 ZINC000334980276 150145185 /nfs/dbraw/zinc/14/51/85/150145185.db2.gz LWOGLZAZIMKLNF-FUHWJXTLSA-N 2 0 299.418 1.867 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000336219450 151369422 /nfs/dbraw/zinc/36/94/22/151369422.db2.gz YXQUUCZWGFZSEK-TZMCWYRMSA-N 2 0 267.417 1.317 10 0 CDAERP CC[NH+]1CCC(NC(=O)c2cc(C(C)(C)[NH3+])no2)CC1 ZINC000662663308 413269095 /nfs/dbraw/zinc/26/90/95/413269095.db2.gz DGDNHPQILSPROZ-UHFFFAOYSA-N 2 0 280.372 1.083 10 0 CDAERP CC[C@@H](C(=O)NCCCC[NH+](C)C)[NH+](CC)CC ZINC000346104108 153054535 /nfs/dbraw/zinc/05/45/35/153054535.db2.gz HMVXTZNFYMYMOY-ZDUSSCGKSA-N 2 0 257.422 1.565 10 0 CDAERP [NH3+][C@@H](Cc1cn(C2CC[NH2+]CC2)nn1)Cc1ccccc1 ZINC000656456576 413283911 /nfs/dbraw/zinc/28/39/11/413283911.db2.gz DRFKPQBKEUACSP-CQSZACIVSA-N 2 0 285.395 1.315 10 0 CDAERP Cc1ncc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cn1 ZINC000349145948 154060198 /nfs/dbraw/zinc/06/01/98/154060198.db2.gz GAWWMGDJTKOTNS-MRXNPFEDSA-N 2 0 274.412 1.949 10 0 CDAERP O[C@H](CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C(F)(F)F ZINC000349331554 154091538 /nfs/dbraw/zinc/09/15/38/154091538.db2.gz LOOGYWKJPFFMNA-GARJFASQSA-N 2 0 266.307 1.516 10 0 CDAERP [NH3+]C1(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CCC1 ZINC000662686935 413312307 /nfs/dbraw/zinc/31/23/07/413312307.db2.gz ROHIIMPLYYFQCZ-ZDUSSCGKSA-N 2 0 275.352 1.167 10 0 CDAERP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)C1CC[NH2+]CC1 ZINC000662686341 413311667 /nfs/dbraw/zinc/31/16/67/413311667.db2.gz DFAKGGHRZYXDLM-OAHLLOKOSA-N 2 0 289.379 1.286 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662691211 413317799 /nfs/dbraw/zinc/31/77/99/413317799.db2.gz GYBUAJMSWDDWSZ-JTQLQIEISA-N 2 0 282.388 1.329 10 0 CDAERP COCCC[N@H+](C)CCN[C@@H]1CC[NH+](C)[C@H]2CCC[C@H]21 ZINC000375897852 292338914 /nfs/dbraw/zinc/33/89/14/292338914.db2.gz MAYIETFWGOMVOJ-XHSDSOJGSA-N 2 0 283.460 1.417 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)CC2([NH3+])CC2)C1 ZINC000662698079 413334650 /nfs/dbraw/zinc/33/46/50/413334650.db2.gz HDSJMMHDOHVFLI-HUUCEWRRSA-N 2 0 293.455 1.981 10 0 CDAERP COC[C@H](C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)OC ZINC000660659702 413344103 /nfs/dbraw/zinc/34/41/03/413344103.db2.gz BIPSFXGCANFFGS-KBPBESRZSA-N 2 0 256.390 1.066 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000654529147 413393345 /nfs/dbraw/zinc/39/33/45/413393345.db2.gz DTGFYQBLRXLSBA-HZSPNIEDSA-N 2 0 265.401 1.071 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2[NH2+]CCC2(C)C)CC[N@@H+]1C ZINC000662746106 413422396 /nfs/dbraw/zinc/42/23/96/413422396.db2.gz QNRDFUDZYIJFOJ-UPJWGTAASA-N 2 0 267.417 1.316 10 0 CDAERP CC(C)CC[NH+]1CCC(CNC(=O)CC2([NH3+])CC2)CC1 ZINC000662751995 413432540 /nfs/dbraw/zinc/43/25/40/413432540.db2.gz NSEVIYVDXAZTLN-UHFFFAOYSA-N 2 0 281.444 1.742 10 0 CDAERP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)C1CCCCCC1 ZINC000423202426 287028036 /nfs/dbraw/zinc/02/80/36/287028036.db2.gz KPVOPFWIBGOCQC-CQSZACIVSA-N 2 0 253.434 1.840 10 0 CDAERP C[NH2+]C[C@@](C)(O)C[N@H+](C)C[C@H]1CCc2ccccc21 ZINC000662321329 411689023 /nfs/dbraw/zinc/68/90/23/411689023.db2.gz HFVFMGVUHRWTFE-GDBMZVCRSA-N 2 0 262.397 1.619 10 0 CDAERP CC(C)C[NH+]1CCN([C@@H](C[NH3+])c2ccccc2)CC1 ZINC000020179397 171044536 /nfs/dbraw/zinc/04/45/36/171044536.db2.gz JIRUHEAMPBQHMB-INIZCTEOSA-N 2 0 261.413 1.960 10 0 CDAERP C[C@H](C(=O)Nc1ccc(C[NH3+])cc1)[NH+]1CCCCC1 ZINC000022212483 171373924 /nfs/dbraw/zinc/37/39/24/171373924.db2.gz MWDGCBUZNGAPJC-GFCCVEGCSA-N 2 0 261.369 1.958 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)CC1CC[NH2+]CC1 ZINC000653211187 412139769 /nfs/dbraw/zinc/13/97/69/412139769.db2.gz QAYKSRXKZNKFFY-UHFFFAOYSA-N 2 0 275.396 1.412 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+] ZINC000653214890 412143026 /nfs/dbraw/zinc/14/30/26/412143026.db2.gz GFUSNDZNNZGXMC-DOMZBBRYSA-N 2 0 277.412 1.642 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)C1([NH2+]C2CC2)CCC1 ZINC000662796207 413515345 /nfs/dbraw/zinc/51/53/45/413515345.db2.gz WUIIOSSSYMIDFO-UHFFFAOYSA-N 2 0 267.417 1.461 10 0 CDAERP CC(C)[N@@H+]1CCCN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000654658848 413545578 /nfs/dbraw/zinc/54/55/78/413545578.db2.gz UCFRTNSGWHXIAH-GASCZTMLSA-N 2 0 296.459 1.452 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662827706 413558918 /nfs/dbraw/zinc/55/89/18/413558918.db2.gz NNMSDEADSRGEDU-UHFFFAOYSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)NC[C@H]2CC[NH+]2C(C)(C)C)CC[N@@H+]1C ZINC000660859238 413587588 /nfs/dbraw/zinc/58/75/88/413587588.db2.gz XVOVSEUCEDIJRL-MGPQQGTHSA-N 2 0 296.459 1.641 10 0 CDAERP [NH3+]C1(CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CCCC1 ZINC000662865687 413628391 /nfs/dbraw/zinc/62/83/91/413628391.db2.gz ZUHYBSGUOGRQSK-AGIUHOORSA-N 2 0 265.401 1.295 10 0 CDAERP [NH3+]CC1(CC[NH2+]Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000656785700 413660082 /nfs/dbraw/zinc/66/00/82/413660082.db2.gz IMAGTRZUNSWUQH-UHFFFAOYSA-N 3 0 259.397 1.551 10 0 CDAERP CCN(C(=O)N[C@@H]1CCc2[nH]cnc2C1)[C@H]1CC[N@H+](C)C1 ZINC000664926101 413735954 /nfs/dbraw/zinc/73/59/54/413735954.db2.gz FWACTWOPLOCDLA-NEPJUHHUSA-N 2 0 291.399 1.003 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659445174 413828680 /nfs/dbraw/zinc/82/86/80/413828680.db2.gz DXKUJHXMCIAWNJ-CHWSQXEVSA-N 2 0 272.437 1.389 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCC1([NH3+])CCCC1 ZINC000659451495 413835010 /nfs/dbraw/zinc/83/50/10/413835010.db2.gz FKDBFKALJNZNNC-OKILXGFUSA-N 2 0 296.459 1.820 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407271980 413916119 /nfs/dbraw/zinc/91/61/19/413916119.db2.gz PUNNGHCDQQFHNA-ZIAGYGMSSA-N 2 0 267.417 1.317 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1)C1CCCC1 ZINC000407372007 413945497 /nfs/dbraw/zinc/94/54/97/413945497.db2.gz MNMFOEKZBMUNHI-GJZGRUSLSA-N 2 0 279.428 1.508 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)NCC[C@@H](C)[NH+](C)C ZINC000665217385 413946641 /nfs/dbraw/zinc/94/66/41/413946641.db2.gz HUYQPYAZIMEBGV-CQSZACIVSA-N 2 0 286.464 1.604 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000659543542 413948794 /nfs/dbraw/zinc/94/87/94/413948794.db2.gz QUFQFLMBJNZCPM-FRRDWIJNSA-N 2 0 282.432 1.156 10 0 CDAERP CO[C@H](C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+])[C@@H]1CCOC1 ZINC000665235118 413962138 /nfs/dbraw/zinc/96/21/38/413962138.db2.gz QBRKHEBOARVGMS-RKTXRCNFSA-N 2 0 292.423 1.586 10 0 CDAERP FC1(F)C[C@@H]1OCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000665244398 413974315 /nfs/dbraw/zinc/97/43/15/413974315.db2.gz MKBOQXCSMFMXNE-KXNHARMFSA-N 2 0 260.328 1.388 10 0 CDAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCO[C@@H]1CC1(F)F ZINC000665244025 413976629 /nfs/dbraw/zinc/97/66/29/413976629.db2.gz FCRZIWWGTVDAPM-NOZJJQNGSA-N 2 0 285.338 1.924 10 0 CDAERP [NH3+]C1(CNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CCCC1 ZINC000659575237 413988375 /nfs/dbraw/zinc/98/83/75/413988375.db2.gz KLWFKJOWNVQNAX-CQSZACIVSA-N 2 0 280.416 1.043 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000665272881 414003792 /nfs/dbraw/zinc/00/37/92/414003792.db2.gz MXLBOKDZZDNDCZ-JYJNAYRXSA-N 2 0 294.443 1.475 10 0 CDAERP Cc1cncc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000665274019 414004226 /nfs/dbraw/zinc/00/42/26/414004226.db2.gz ICAHLTTWCSPKKY-MELADBBJSA-N 2 0 260.385 1.305 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)[C@H]2CCCO2)CC1 ZINC000665287192 414024569 /nfs/dbraw/zinc/02/45/69/414024569.db2.gz DUXZLTKNIZWSIC-UKRRQHHQSA-N 2 0 297.443 1.134 10 0 CDAERP CC[NH2+]CC1CCN(C(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000659619919 414029971 /nfs/dbraw/zinc/02/99/71/414029971.db2.gz VMUGPDOYOQVAKM-CQSZACIVSA-N 2 0 284.448 1.391 10 0 CDAERP CCC[NH+]1CCC([C@H](C)[NH2+]CCNC(C)=O)CC1 ZINC000037221422 173040212 /nfs/dbraw/zinc/04/02/12/173040212.db2.gz UWTHAODUDJUQLQ-LBPRGKRZSA-N 2 0 255.406 1.223 10 0 CDAERP Cc1cc(C)c(C[NH2+]CCN2CC[NH+](C)CC2)c(C)c1 ZINC000037496764 173235609 /nfs/dbraw/zinc/23/56/09/173235609.db2.gz SHFREBVMMDEXLH-UHFFFAOYSA-N 2 0 275.440 1.949 10 0 CDAERP C[NH+]1CCC[C@]2(CCN(C(=O)N[C@@H]3CCC[N@@H+](C)C3)C2)C1 ZINC000655132776 414084527 /nfs/dbraw/zinc/08/45/27/414084527.db2.gz ZCYVVJRULJWCPE-ZBFHGGJFSA-N 2 0 294.443 1.208 10 0 CDAERP C[C@H](CCNC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)[NH+](C)C ZINC000665355552 414099066 /nfs/dbraw/zinc/09/90/66/414099066.db2.gz YGQPIVHDMAFAAO-OLZOCXBDSA-N 2 0 284.448 1.499 10 0 CDAERP CN(C)C(=O)c1ccccc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655825008 414231743 /nfs/dbraw/zinc/23/17/43/414231743.db2.gz TUNZYFPUXFPCTI-OTVXOJSOSA-N 2 0 289.423 1.818 10 0 CDAERP c1cc(C[NH2+]C[C@@H]2CCCCO2)n(-c2cc[nH+]cc2)n1 ZINC000657329073 414180912 /nfs/dbraw/zinc/18/09/12/414180912.db2.gz JDCRFIPQHWJMKQ-HNNXBMFYSA-N 2 0 272.352 1.926 10 0 CDAERP CCn1cc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cn1 ZINC000655806432 414198801 /nfs/dbraw/zinc/19/88/01/414198801.db2.gz VMILIYONAFUEKQ-SGMGOOAPSA-N 2 0 250.390 1.894 10 0 CDAERP c1cc(C[NH2+][C@@H]2CCCOC2)n(-c2cc[nH+]cc2)n1 ZINC000657352244 414201556 /nfs/dbraw/zinc/20/15/56/414201556.db2.gz GXWQEHDIOXDRDR-GFCCVEGCSA-N 2 0 258.325 1.536 10 0 CDAERP CC(C)[C@H](CCO)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657376750 414254534 /nfs/dbraw/zinc/25/45/34/414254534.db2.gz OBDNFSUQJSBPRU-HNNXBMFYSA-N 2 0 274.368 1.764 10 0 CDAERP OC[C@H]1CC[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000657393847 414277559 /nfs/dbraw/zinc/27/75/59/414277559.db2.gz CLVLDAOXPOYXST-OKILXGFUSA-N 2 0 286.379 1.908 10 0 CDAERP CC[C@@H]1C[C@H]([NH2+]CC2(O)CC[NH+](C(C)C)CC2)CO1 ZINC000657396741 414282723 /nfs/dbraw/zinc/28/27/23/414282723.db2.gz ACXVKJCNOGLDOM-UONOGXRCSA-N 2 0 270.417 1.379 10 0 CDAERP CC[C@H](CO)[NH+]1CCN(CC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000659961336 414297320 /nfs/dbraw/zinc/29/73/20/414297320.db2.gz SWEMQSNAEQTBEZ-BRWVUGGUSA-N 2 0 297.487 1.353 10 0 CDAERP CC(C)NC(=O)[C@H]1CCC[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000663502234 414301950 /nfs/dbraw/zinc/30/19/50/414301950.db2.gz GFCHBJYEWIZUPC-ILXRZTDVSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@@H]1C[C@H](C)CN(CC[NH2+][C@@H]2C[C@@H](O)C23CCC3)C1 ZINC000661828585 414388086 /nfs/dbraw/zinc/38/80/86/414388086.db2.gz VDKYHPGLWCQZGJ-LXTVHRRPSA-N 2 0 266.429 1.857 10 0 CDAERP c1cc(C[NH2+]CCCn2ccnn2)n(-c2cc[nH+]cc2)n1 ZINC000657432844 414319596 /nfs/dbraw/zinc/31/95/96/414319596.db2.gz VYBIPZKRQUXTEC-UHFFFAOYSA-N 2 0 283.339 1.039 10 0 CDAERP CC[C@H](C)N(C)C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000665639212 414324524 /nfs/dbraw/zinc/32/45/24/414324524.db2.gz QDNHVLDREQZAOB-KBPBESRZSA-N 2 0 286.464 1.698 10 0 CDAERP Cc1c[nH]c(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)n1 ZINC000657537843 414421745 /nfs/dbraw/zinc/42/17/45/414421745.db2.gz UQZNHGZTIKPNHN-UHFFFAOYSA-N 2 0 292.427 1.699 10 0 CDAERP COC1(CC[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)CCC1 ZINC000662150635 414538054 /nfs/dbraw/zinc/53/80/54/414538054.db2.gz YXHXOYZBWOAPQE-HNNXBMFYSA-N 2 0 282.428 1.477 10 0 CDAERP CC(C)[C@](C)(C[NH3+])NCc1cccc2c1CC[NH2+]C2 ZINC000662249412 414586154 /nfs/dbraw/zinc/58/61/54/414586154.db2.gz MSGXLEDEAPQQGI-INIZCTEOSA-N 2 0 261.413 1.795 10 0 CDAERP CO[C@@H](CN1CC[NH2+]C[C@@](C)(F)C1)C1CCCC1 ZINC000662271974 414604153 /nfs/dbraw/zinc/60/41/53/414604153.db2.gz ANWTUQDDUNMJOC-UONOGXRCSA-N 2 0 258.381 1.825 10 0 CDAERP C[N@H+](CCc1nccs1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662279859 414610189 /nfs/dbraw/zinc/61/01/89/414610189.db2.gz MOEUDYVTCYIVSY-NSHDSACASA-N 2 0 267.398 1.138 10 0 CDAERP COc1cccc([C@]2(C)CC[N@H+](CCOCC[NH3+])C2)c1 ZINC000662311377 414631525 /nfs/dbraw/zinc/63/15/25/414631525.db2.gz SFFQQULIHIEONO-MRXNPFEDSA-N 2 0 278.396 1.634 10 0 CDAERP CC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]C[C@@H]2COCCO2)C1 ZINC000038060770 174071757 /nfs/dbraw/zinc/07/17/57/174071757.db2.gz ITZFLZHDAUPULR-HZSPNIEDSA-N 2 0 256.390 1.112 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)CC1CC[NH2+]CC1 ZINC000038075173 174085341 /nfs/dbraw/zinc/08/53/41/174085341.db2.gz HRMINNTXKYZVAN-CQSZACIVSA-N 2 0 269.433 1.469 10 0 CDAERP CC[NH+]1CCC([C@H](C)[NH2+]C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000038083217 174093110 /nfs/dbraw/zinc/09/31/10/174093110.db2.gz XAVWYRKORXOCBB-STQMWFEESA-N 2 0 288.457 1.131 10 0 CDAERP CC(C)C[C@@H]([NH3+])C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000038101722 174118057 /nfs/dbraw/zinc/11/80/57/174118057.db2.gz FQEASCCZCGNCKN-CQSZACIVSA-N 2 0 267.417 1.447 10 0 CDAERP CC1CCC([N@@H+]2CCC[C@@H]2C(=O)N2CC[NH2+]CC2)CC1 ZINC000040508052 174303163 /nfs/dbraw/zinc/30/31/63/174303163.db2.gz BBZYEYKGYFJOBW-YMAMQOFZSA-N 2 0 279.428 1.461 10 0 CDAERP CC(C)[NH2+]C[C@H](O)CN1CCC([NH+]2CCCCC2)CC1 ZINC000040693887 174377834 /nfs/dbraw/zinc/37/78/34/174377834.db2.gz UNDDHVBLJLATDY-INIZCTEOSA-N 2 0 283.460 1.296 10 0 CDAERP CC(C)c1cc(N2CCC[N@H+](CCCC[NH3+])CC2)ncn1 ZINC000040765968 174397825 /nfs/dbraw/zinc/39/78/25/174397825.db2.gz OFTFGZHPCHAZPE-UHFFFAOYSA-N 2 0 291.443 1.851 10 0 CDAERP CCC[NH+]1CCN([C@@H](c2ccccn2)[C@@H](C)[NH3+])CC1 ZINC000043338830 175013197 /nfs/dbraw/zinc/01/31/97/175013197.db2.gz QQISLEFVYLISFR-UKRRQHHQSA-N 2 0 262.401 1.498 10 0 CDAERP CC[NH2+][C@H]1CCOC[C@@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000043907872 175123394 /nfs/dbraw/zinc/12/33/94/175123394.db2.gz WLDSAUXGXMQHKS-IRXDYDNUSA-N 2 0 295.471 1.704 10 0 CDAERP CC[NH2+][C@H]1CCOC[C@@H]1N1CC[NH+](C(C)(C)C)CC1 ZINC000043965650 175127100 /nfs/dbraw/zinc/12/71/00/175127100.db2.gz ZPESBSKWFIESMM-KBPBESRZSA-N 2 0 269.433 1.170 10 0 CDAERP CC[NH2+][C@H]1CCC[C@H]1N(C)C1CC[NH+](CC)CC1 ZINC000043978275 175133413 /nfs/dbraw/zinc/13/34/13/175133413.db2.gz RCKUCJFDIQMHOX-LSDHHAIUSA-N 2 0 253.434 1.933 10 0 CDAERP C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000044532486 175196550 /nfs/dbraw/zinc/19/65/50/175196550.db2.gz NFFGHIDHIUGRFP-ZDUSSCGKSA-N 2 0 261.369 1.217 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@H](C[NH3+])C(C)C)CC1 ZINC000044808405 175257062 /nfs/dbraw/zinc/25/70/62/175257062.db2.gz NXGKLSRKMLTWGN-CYBMUJFWSA-N 2 0 255.406 1.065 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](Cc1ccccc1)C(=O)N(C)C ZINC000422901405 289773278 /nfs/dbraw/zinc/77/32/78/289773278.db2.gz BYPPAOYELFCZKD-KCQAQPDRSA-N 2 0 277.412 1.401 10 0 CDAERP CC[NH2+]C1CCN(C[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000045135352 175312558 /nfs/dbraw/zinc/31/25/58/175312558.db2.gz KIEHPAVGFXGBTF-AWEZNQCLSA-N 2 0 253.434 1.791 10 0 CDAERP CCCC[N@H+](C)CCC[C@@](C)([NH2+]C(C)C)C(N)=O ZINC000045368414 175363517 /nfs/dbraw/zinc/36/35/17/175363517.db2.gz SUYDLAIBUQZFIJ-CQSZACIVSA-N 2 0 257.422 1.741 10 0 CDAERP CCC[NH2+][C@](C)(CCCC[N@@H+]1CCOC[C@@H]1C)C(N)=O ZINC000045389531 175373915 /nfs/dbraw/zinc/37/39/15/175373915.db2.gz ZSQWWLGANAUUGM-DZGCQCFKSA-N 2 0 285.432 1.121 10 0 CDAERP CCCCC[N@H+](C)CCC[C@](C)([NH2+]C1CC1)C(N)=O ZINC000045388219 175374210 /nfs/dbraw/zinc/37/42/10/175374210.db2.gz NTSFSHBWBZHMRY-HNNXBMFYSA-N 2 0 269.433 1.885 10 0 CDAERP C[NH2+][C@@](C)(CCCC[N@H+](C)[C@@H](C)C(C)(C)C)C(N)=O ZINC000045420991 175379477 /nfs/dbraw/zinc/37/94/77/175379477.db2.gz NJEXPRZSAYXBDF-WFASDCNBSA-N 2 0 271.449 1.987 10 0 CDAERP CCC[C@H]1C[C@@](C[NH3+])(N2CCC([NH+](C)C)CC2)CCO1 ZINC000070363606 175891287 /nfs/dbraw/zinc/89/12/87/175891287.db2.gz FLHAYIMEOUPOPR-HOTGVXAUSA-N 2 0 283.460 1.689 10 0 CDAERP C[NH+]1CCN(CC[NH2+]Cc2cccc3[nH]ccc32)CC1 ZINC000070939409 176013220 /nfs/dbraw/zinc/01/32/20/176013220.db2.gz LMSHSXMRXNKDJQ-UHFFFAOYSA-N 2 0 272.396 1.505 10 0 CDAERP CC(C)[NH2+][C@@H]1CCCN(C[C@@H]2CCC[N@H+](C)C2)C1=O ZINC000071032347 176023884 /nfs/dbraw/zinc/02/38/84/176023884.db2.gz HXRMVOJGLJKRFN-ZIAGYGMSSA-N 2 0 267.417 1.317 10 0 CDAERP CCC[NH2+][C@H]1CCCN([C@H]2CCC[N@H+](CC)C2)C1=O ZINC000071033622 176024434 /nfs/dbraw/zinc/02/44/34/176024434.db2.gz WPEUKJGVNLWEJB-KBPBESRZSA-N 2 0 267.417 1.461 10 0 CDAERP C[NH+]1CCC(CN2CCC[C@H]([NH2+]C3CC3)C2=O)CC1 ZINC000071035024 176024962 /nfs/dbraw/zinc/02/49/62/176024962.db2.gz VKULXGJLANMVIE-AWEZNQCLSA-N 2 0 265.401 1.071 10 0 CDAERP CC[NH2+][C@@H]1CCN(C[C@@H](C)[NH+]2CCCCC2)C1=O ZINC000071036383 176025385 /nfs/dbraw/zinc/02/53/85/176025385.db2.gz RBEJWGDMCMUVGJ-CHWSQXEVSA-N 2 0 253.390 1.071 10 0 CDAERP COc1ccccc1[C@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071148882 176044370 /nfs/dbraw/zinc/04/43/70/176044370.db2.gz QMHBGVSKWOAYQR-AWEZNQCLSA-N 2 0 277.412 1.593 10 0 CDAERP CC[C@@H]1CCCC[C@@H]1[NH2+]CCN1CC[NH+](C)CC1 ZINC000071161076 176046496 /nfs/dbraw/zinc/04/64/96/176046496.db2.gz YUUFRPNJQXFZTK-CABCVRRESA-N 2 0 253.434 1.792 10 0 CDAERP COc1ccccc1[C@@H]([NH3+])CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188761 176063365 /nfs/dbraw/zinc/06/33/65/176063365.db2.gz WSQOHYNIBGLVPV-HIFRSBDPSA-N 2 0 277.412 1.579 10 0 CDAERP CCC[NH2+][C@H]1CCC[C@H]1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189023 176064678 /nfs/dbraw/zinc/06/46/78/176064678.db2.gz VEIJNGUMKDSNHV-QLFBSQMISA-N 2 0 253.434 1.791 10 0 CDAERP CC(C)[NH2+]Cc1ccc(N(C)C[C@H]2CC[N@H+](C)C2)nn1 ZINC000071191687 176071925 /nfs/dbraw/zinc/07/19/25/176071925.db2.gz VCIZIEKXAZJHCG-ZDUSSCGKSA-N 2 0 277.416 1.363 10 0 CDAERP NC(=[NH2+])c1cc(F)ccc1C[N@@H+]1CCC[C@@H]1CCCO ZINC000071268005 176101609 /nfs/dbraw/zinc/10/16/09/176101609.db2.gz XLJULDKRGKHZDF-CYBMUJFWSA-N 2 0 279.359 1.847 10 0 CDAERP CCC[NH+]1CCC([C@H](C)[NH2+]C[C@H](O)C2CC2)CC1 ZINC000071300893 176113632 /nfs/dbraw/zinc/11/36/32/176113632.db2.gz BCMVXZVBIKGJFY-WFASDCNBSA-N 2 0 254.418 1.857 10 0 CDAERP C[C@H]1CCC[C@H](C(=O)NCC[N@H+](C)C2CCCC2)[NH2+]1 ZINC000071379393 176143425 /nfs/dbraw/zinc/14/34/25/176143425.db2.gz JIICOOLBWNBJKT-GXTWGEPZSA-N 2 0 267.417 1.508 10 0 CDAERP C[C@@H]([NH3+])[C@@H](N1CC[NH+](CC(C)(C)O)CC1)C(C)(C)C ZINC000071380415 176144721 /nfs/dbraw/zinc/14/47/21/176144721.db2.gz BBQBEQIWRFQNLT-CHWSQXEVSA-N 2 0 271.449 1.137 10 0 CDAERP C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC000071870416 176283009 /nfs/dbraw/zinc/28/30/09/176283009.db2.gz HTPMOOZFFMXGEA-HOTGVXAUSA-N 2 0 293.455 1.948 10 0 CDAERP CCN1CC[NH+](C[C@@H](CC[NH3+])c2ccccc2)CC1 ZINC000076673430 177054650 /nfs/dbraw/zinc/05/46/50/177054650.db2.gz PIPCFZHXNHGUCU-MRXNPFEDSA-N 2 0 261.413 1.757 10 0 CDAERP C[NH+](C)CC1CC[NH+](CC2(O)CCCCC2)CC1 ZINC000078679974 177370108 /nfs/dbraw/zinc/37/01/08/177370108.db2.gz PHIWQXFBMUQQBJ-UHFFFAOYSA-N 2 0 254.418 1.955 10 0 CDAERP COc1ccc(C[NH+](C)C)cc1NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079513936 177511610 /nfs/dbraw/zinc/51/16/10/177511610.db2.gz NEPPAJDNQQEPQT-MRXNPFEDSA-N 2 0 291.395 1.837 10 0 CDAERP CCOCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001666291266 1173124319 /nfs/dbraw/zinc/12/43/19/1173124319.db2.gz VLGQIEFCZWMXHF-RBSFLKMASA-N 2 0 299.459 1.380 10 0 CDAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C[NH2+]CCC1CC1 ZINC001666620161 1173162385 /nfs/dbraw/zinc/16/23/85/1173162385.db2.gz MLXSMKKHQYNMKU-KBPBESRZSA-N 2 0 281.444 1.470 10 0 CDAERP CC(C)OCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001666869916 1173197794 /nfs/dbraw/zinc/19/77/94/1173197794.db2.gz GOJXQMCFEJAVIX-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP CN(CC[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1)c1ccccc1 ZINC000662262465 423803682 /nfs/dbraw/zinc/80/36/82/423803682.db2.gz GQIHKSWTCXUAJD-INIZCTEOSA-N 2 0 289.423 1.576 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=O)NCC[C@@H]([NH3+])C(C)C)C1 ZINC000659442988 423778667 /nfs/dbraw/zinc/77/86/67/423778667.db2.gz UNPAGUCTDHZRMS-ZIAGYGMSSA-N 2 0 284.448 1.391 10 0 CDAERP CCC[C@H](C)[C@H](CO)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000651893988 423862591 /nfs/dbraw/zinc/86/25/91/423862591.db2.gz NGAOZMKQUXMPIK-XGUBFFRZSA-N 2 0 254.418 2.000 10 0 CDAERP CO[C@@H](C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)C1CCCC1 ZINC000662272903 423829593 /nfs/dbraw/zinc/82/95/93/423829593.db2.gz IFKKLEGIYBHYOR-CVEARBPZSA-N 2 0 296.455 1.879 10 0 CDAERP C(c1nc2c(s1)C[NH2+]CC2)N1CCC2(CC[NH2+]2)CC1 ZINC000663498794 423890533 /nfs/dbraw/zinc/89/05/33/423890533.db2.gz UDUMMZIKKAFUAN-UHFFFAOYSA-N 2 0 278.425 1.117 10 0 CDAERP CC(C)[NH2+]CCC(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000653267188 423961452 /nfs/dbraw/zinc/96/14/52/423961452.db2.gz LZVMPGDVZIUGSP-ZNMIVQPWSA-N 2 0 297.443 1.262 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000652215855 424069293 /nfs/dbraw/zinc/06/92/93/424069293.db2.gz BDCYUZRHVBKLBY-HUUCEWRRSA-N 2 0 290.411 1.475 10 0 CDAERP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662398438 424038128 /nfs/dbraw/zinc/03/81/28/424038128.db2.gz SCBWTWVOVWUHEZ-ZJUUUORDSA-N 2 0 280.372 1.210 10 0 CDAERP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655245258 424053852 /nfs/dbraw/zinc/05/38/52/424053852.db2.gz HBJQZXMDOZRDRU-UPJWGTAASA-N 2 0 269.433 1.610 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652240359 424117237 /nfs/dbraw/zinc/11/72/37/424117237.db2.gz YHMZEDDBPZVQRG-ZDUSSCGKSA-N 2 0 282.432 1.241 10 0 CDAERP CO[C@H](CN1CCC(CO)([NH2+]CC2CC2)CC1)C1CCC1 ZINC000660759324 424100547 /nfs/dbraw/zinc/10/05/47/424100547.db2.gz FRWJTNCNOYPLFG-MRXNPFEDSA-N 2 0 296.455 1.628 10 0 CDAERP CC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000660819538 424236826 /nfs/dbraw/zinc/23/68/26/424236826.db2.gz IZHNZYDWPBVDIB-CQSZACIVSA-N 2 0 296.459 1.643 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000662730477 424383912 /nfs/dbraw/zinc/38/39/12/424383912.db2.gz GKKMCSTVAHZLDX-VPWBDBDCSA-N 2 0 297.443 1.009 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000655489685 424507943 /nfs/dbraw/zinc/50/79/43/424507943.db2.gz ZGSXPYXFQOEMPV-MRLBHPIUSA-N 2 0 279.428 1.364 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CC[C@@H](C)SC1)CN1CC[NH+](C)CC1 ZINC000655709435 424462997 /nfs/dbraw/zinc/46/29/97/424462997.db2.gz ZUKUBLLZISKOFW-RBSFLKMASA-N 2 0 285.501 1.744 10 0 CDAERP CC(=O)NCc1ccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000665235044 424470862 /nfs/dbraw/zinc/47/08/62/424470862.db2.gz OTHCLVJGKXXZCV-CVEARBPZSA-N 2 0 275.396 1.540 10 0 CDAERP C[NH2+]C[C@H](C)NC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000662965367 424577698 /nfs/dbraw/zinc/57/76/98/424577698.db2.gz PTRAERGJBUCAPL-ZDUSSCGKSA-N 2 0 289.423 1.566 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@](O)(C2CC2)C1 ZINC000661626086 424622337 /nfs/dbraw/zinc/62/23/37/424622337.db2.gz LROIAVFSKIHMQQ-HUUCEWRRSA-N 2 0 252.402 1.708 10 0 CDAERP CCCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001667118149 1173236321 /nfs/dbraw/zinc/23/63/21/1173236321.db2.gz LPHBPDTXTASFEM-GJZGRUSLSA-N 2 0 283.460 1.859 10 0 CDAERP CCc1nccn1[C@H]1CCC[N@H+](CCn2ccnc2)C1 ZINC000163070298 270242928 /nfs/dbraw/zinc/24/29/28/270242928.db2.gz COWBWSSXRZBLML-AWEZNQCLSA-N 3 0 273.384 1.979 10 0 CDAERP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)[C@@H]1CC1(C)C ZINC000397784995 270350838 /nfs/dbraw/zinc/35/08/38/270350838.db2.gz YBPFZSGLXYXRTQ-KBPBESRZSA-N 2 0 253.434 1.648 10 0 CDAERP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)C1CC(F)(F)C1 ZINC000529545453 270981669 /nfs/dbraw/zinc/98/16/69/270981669.db2.gz RLUAWHNLBKDFFP-LBPRGKRZSA-N 2 0 275.387 1.647 10 0 CDAERP C[C@H]1C[C@H](C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)CC[NH2+]1 ZINC000530247895 271182747 /nfs/dbraw/zinc/18/27/47/271182747.db2.gz CPNFKTSOODAXOJ-DGAVXFQQSA-N 2 0 286.441 1.026 10 0 CDAERP CCCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC001667772736 1173323318 /nfs/dbraw/zinc/32/33/18/1173323318.db2.gz ZGJDWDXOKCMVRD-CABCVRRESA-N 2 0 281.444 1.757 10 0 CDAERP CC[NH+](CC)CCN[C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261846675 276327347 /nfs/dbraw/zinc/32/73/47/276327347.db2.gz AVKSIYCBLHDNGG-KFWWJZLASA-N 2 0 269.433 1.075 10 0 CDAERP CC[C@H](C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)[NH+](C)C ZINC000299151938 276546666 /nfs/dbraw/zinc/54/66/66/276546666.db2.gz YXDWJRLLQJTZJC-HZPDHXFCSA-N 2 0 291.439 1.616 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@H]1COc2ccccc2C1 ZINC000336889782 277245743 /nfs/dbraw/zinc/24/57/43/277245743.db2.gz GOICZHJAXICTAL-ZIAGYGMSSA-N 2 0 264.369 1.334 10 0 CDAERP C[C@@H](C[NH2+][C@@H]1CCCc2n[nH]cc21)N1CC[NH+](C)CC1 ZINC000367585352 278285176 /nfs/dbraw/zinc/28/51/76/278285176.db2.gz DDJLIEVHHOUKTR-GXTWGEPZSA-N 2 0 277.416 1.013 10 0 CDAERP C[C@@H]([NH2+][C@H]1COc2ccc(F)cc2C1)C1C[NH2+]C1 ZINC000335221315 278388847 /nfs/dbraw/zinc/38/88/47/278388847.db2.gz DTHDDSONSUANND-NOZJJQNGSA-N 2 0 250.317 1.327 10 0 CDAERP C[C@H]1C[C@@H](C[NH+]2CCC(C[NH+]3CCOCC3)CC2)CCO1 ZINC000352728991 278475117 /nfs/dbraw/zinc/47/51/17/278475117.db2.gz UMCCDLOHPJRUKT-RDJZCZTQSA-N 2 0 296.455 1.846 10 0 CDAERP CC(C)(C)[C@H]([NH3+])C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371226565 278525726 /nfs/dbraw/zinc/52/57/26/278525726.db2.gz BWEZZXLTXDGQCB-RWMBFGLXSA-N 2 0 267.417 1.350 10 0 CDAERP CC[NH+](CC)CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000337622057 279086761 /nfs/dbraw/zinc/08/67/61/279086761.db2.gz AYCQPMARERJFRN-CYBMUJFWSA-N 2 0 253.390 1.023 10 0 CDAERP CC[NH+](CC)CCCN(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000338312907 279093102 /nfs/dbraw/zinc/09/31/02/279093102.db2.gz GVABKOHKRQSDMV-HNNXBMFYSA-N 2 0 253.434 1.887 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000414692710 279179742 /nfs/dbraw/zinc/17/97/42/279179742.db2.gz KWRIXEDZOHOGPK-IRXDYDNUSA-N 2 0 296.503 1.462 10 0 CDAERP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCC23CCC3)CC1 ZINC000444791935 279259470 /nfs/dbraw/zinc/25/94/70/279259470.db2.gz NSQPWZYKWJLGBB-UHFFFAOYSA-N 2 0 279.428 1.605 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1C[NH+](C(C)C)C[C@@H]1C ZINC000246484554 279312119 /nfs/dbraw/zinc/31/21/19/279312119.db2.gz QVOUQUBXKWAWAD-ZNMIVQPWSA-N 2 0 296.459 1.499 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000094648758 279326482 /nfs/dbraw/zinc/32/64/82/279326482.db2.gz WAXGPWHMLQXJEV-HZSPNIEDSA-N 2 0 267.417 1.317 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000418195735 279380964 /nfs/dbraw/zinc/38/09/64/279380964.db2.gz GITSRDYCQIHXGI-RWMBFGLXSA-N 2 0 270.421 1.012 10 0 CDAERP C[C@@H]1CN(CCC[NH+]2CCCCC2)[C@@H](C)C[N@@H+]1CCO ZINC000419345640 288162131 /nfs/dbraw/zinc/16/21/31/288162131.db2.gz UJWHLSAJIRXMIT-JKSUJKDBSA-N 2 0 283.460 1.249 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000195129965 280071127 /nfs/dbraw/zinc/07/11/27/280071127.db2.gz SOQCZAUTXAQEJQ-ZIAGYGMSSA-N 2 0 284.448 1.356 10 0 CDAERP CCC[C@H](C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1)[NH+](C)C ZINC000245762851 280231709 /nfs/dbraw/zinc/23/17/09/280231709.db2.gz FOPQNAKCSYNCJJ-RBSFLKMASA-N 2 0 283.460 1.953 10 0 CDAERP CCC[C@H](C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C)[NH+](C)C ZINC000245762771 280231723 /nfs/dbraw/zinc/23/17/23/280231723.db2.gz IXNNTXBJBLHHFJ-HZSPNIEDSA-N 2 0 269.433 1.562 10 0 CDAERP CCCCOC[C@@H](O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000248660280 280372060 /nfs/dbraw/zinc/37/20/60/280372060.db2.gz VUHRUMVVKLTGPX-GJZGRUSLSA-N 2 0 272.433 1.438 10 0 CDAERP CC1(C)CN(C(=O)NCC2([NH3+])CCCCC2)CC[C@@H]1[NH3+] ZINC000334928003 281171571 /nfs/dbraw/zinc/17/15/71/281171571.db2.gz ZAHUPTUSCVZJIU-LBPRGKRZSA-N 2 0 282.432 1.417 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1CCCCN1CCO)[C@@H]1C[C@H]1C1CC1 ZINC000527713115 281175329 /nfs/dbraw/zinc/17/53/29/281175329.db2.gz KISGUXBCHFUQBB-TUUVXOQKSA-N 2 0 266.429 1.857 10 0 CDAERP CC1(C)CN(C(=O)NC[C@]2(C)CCC[NH2+]C2)CC[C@H]1[NH3+] ZINC000334948308 281175413 /nfs/dbraw/zinc/17/54/13/281175413.db2.gz ZAYWHZMZAGWOEK-IUODEOHRSA-N 2 0 282.432 1.145 10 0 CDAERP CC1(C)CN(C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])CC[C@H]1[NH3+] ZINC000261718945 281193810 /nfs/dbraw/zinc/19/38/10/281193810.db2.gz CFNTWJFHSXUGMX-ZOWXZIJZSA-N 2 0 267.417 1.480 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC[C@H]1CCC[NH+]1C ZINC000245645345 288305449 /nfs/dbraw/zinc/30/54/49/288305449.db2.gz SZYPTQVIXNIZGB-RBSFLKMASA-N 2 0 251.418 1.639 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000251714963 288310550 /nfs/dbraw/zinc/31/05/50/288310550.db2.gz JPSBQOPHCPUBBA-RDBSUJKOSA-N 2 0 277.412 1.071 10 0 CDAERP C[NH+](C)C(C)(C)CNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000431511345 282014760 /nfs/dbraw/zinc/01/47/60/282014760.db2.gz XXQHJTRMGZWNJB-ZDUSSCGKSA-N 2 0 269.433 1.707 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000417858087 289306341 /nfs/dbraw/zinc/30/63/41/289306341.db2.gz URHDVRWZKDJOLB-LXTVHRRPSA-N 2 0 294.443 1.253 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000262683515 289399678 /nfs/dbraw/zinc/39/96/78/289399678.db2.gz YZQLTNVEEKANSO-IHRRRGAJSA-N 2 0 267.417 1.304 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000418714466 289786459 /nfs/dbraw/zinc/78/64/59/289786459.db2.gz YPLAHRCGNGUORV-KBPBESRZSA-N 2 0 296.459 1.630 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[NH+](C3CCCC3)CC2)C1 ZINC000553144163 290096823 /nfs/dbraw/zinc/09/68/23/290096823.db2.gz YSLKZRJWPDYWFS-OAHLLOKOSA-N 2 0 293.455 1.805 10 0 CDAERP C[N@@H+]1CC[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)[C@H]2CCC[C@H]21 ZINC000423358222 290223661 /nfs/dbraw/zinc/22/36/61/290223661.db2.gz BLBXHSBWHGNISQ-VYDRJRHOSA-N 2 0 251.418 1.719 10 0 CDAERP CNC(=O)C[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])c1ccccc1 ZINC000423099407 290463187 /nfs/dbraw/zinc/46/31/87/290463187.db2.gz UCZAFNHGHZAITO-DYEKYZERSA-N 2 0 263.385 1.579 10 0 CDAERP CC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@H](O)C(F)F ZINC000562675659 293171988 /nfs/dbraw/zinc/17/19/88/293171988.db2.gz RQXDAIPFHCFBNP-STQMWFEESA-N 2 0 276.371 1.855 10 0 CDAERP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)CSC)CC1 ZINC000562988404 293235609 /nfs/dbraw/zinc/23/56/09/293235609.db2.gz ZEOWMWNQZCANGN-CYBMUJFWSA-N 2 0 260.447 1.422 10 0 CDAERP CC(C)OC[C@@H](O)C[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000563013777 293245464 /nfs/dbraw/zinc/24/54/64/293245464.db2.gz MDENAJXEBBJCMR-CABCVRRESA-N 2 0 272.433 1.626 10 0 CDAERP C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000564948634 293467228 /nfs/dbraw/zinc/46/72/28/293467228.db2.gz UHCLKFRZGHZGMA-SUNKGSAMSA-N 2 0 261.369 1.434 10 0 CDAERP CC(C)[C@H](C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)[C@H](C)[NH3+] ZINC000568381324 294023742 /nfs/dbraw/zinc/02/37/42/294023742.db2.gz GQEJSGTUMLORQQ-YDHLFZDLSA-N 2 0 267.417 1.208 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCC1=CC[NH2+]CC1 ZINC000572134829 294565263 /nfs/dbraw/zinc/56/52/63/294565263.db2.gz CMJQFYGMPHOMSY-KBPBESRZSA-N 2 0 294.443 1.468 10 0 CDAERP O=C(CCC1CC[NH2+]CC1)N1CCC2(CC[NH2+]2)CC1 ZINC000573000155 294734361 /nfs/dbraw/zinc/73/43/61/294734361.db2.gz QLKDUBFRDGVEDA-UHFFFAOYSA-N 2 0 265.401 1.121 10 0 CDAERP [NH3+]C1(C(=O)NC2CC([NH+]3CCCCC3)C2)CCCCC1 ZINC000335031500 295202221 /nfs/dbraw/zinc/20/22/21/295202221.db2.gz RNIRXNQOKFKJAN-UHFFFAOYSA-N 2 0 279.428 1.781 10 0 CDAERP [NH3+]C1CCC(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC000333722344 295211509 /nfs/dbraw/zinc/21/15/09/295211509.db2.gz UVEFQEOFINXQIN-RUXDESIVSA-N 2 0 280.416 1.136 10 0 CDAERP [NH3+][C@H]1CC[C@H](C(=O)NCCC[NH+]2CCCCCC2)C1 ZINC000163608425 295341377 /nfs/dbraw/zinc/34/13/77/295341377.db2.gz QEICBNBJPQFFTB-KBPBESRZSA-N 2 0 267.417 1.496 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000336342686 297107431 /nfs/dbraw/zinc/10/74/31/297107431.db2.gz UAJMMJSBYHXARP-YGRLFVJLSA-N 2 0 259.353 1.018 10 0 CDAERP C[C@H](C[NH2+]CCCF)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001669411313 1173546788 /nfs/dbraw/zinc/54/67/88/1173546788.db2.gz DGHODBLQLGDOJG-KGLIPLIRSA-N 2 0 287.423 1.705 10 0 CDAERP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000563875344 316387192 /nfs/dbraw/zinc/38/71/92/316387192.db2.gz MAOCWLPORPPGJS-KBXIAJHMSA-N 2 0 294.443 1.145 10 0 CDAERP C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000569572914 316804956 /nfs/dbraw/zinc/80/49/56/316804956.db2.gz IWLCOYULQBNTFE-KKUMJFAQSA-N 2 0 281.444 1.694 10 0 CDAERP NC(=O)[C@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)Cc1ccc(F)cc1 ZINC000576240574 317103588 /nfs/dbraw/zinc/10/35/88/317103588.db2.gz AZXWWXKJYBADPA-AEGPPILISA-N 2 0 293.386 1.329 10 0 CDAERP [NH3+]C[C@@H](NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000577368034 317314995 /nfs/dbraw/zinc/31/49/95/317314995.db2.gz MWQJUDCLHXXDIU-LSDHHAIUSA-N 2 0 294.443 1.430 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(-n2cncn2)c(F)c1 ZINC000577720437 317387678 /nfs/dbraw/zinc/38/76/78/317387678.db2.gz FSVAQOCJRPQUPZ-BXUZGUMPSA-N 2 0 289.358 1.494 10 0 CDAERP CN(CCC[N@H+](C)CC1CCC1)C(=O)CC[NH+](C)C ZINC001673466986 1173859029 /nfs/dbraw/zinc/85/90/29/1173859029.db2.gz NUZOUAXCIDCLLJ-UHFFFAOYSA-N 2 0 269.433 1.519 10 0 CDAERP CNC(=O)C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000578882369 324048390 /nfs/dbraw/zinc/04/83/90/324048390.db2.gz KLDYNGBRSWYKNE-ZNMIVQPWSA-N 2 0 275.396 1.723 10 0 CDAERP CCCCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001267016662 1159085190 /nfs/dbraw/zinc/08/51/90/1159085190.db2.gz ZOMGTIJBVIPRGY-ZDUSSCGKSA-N 2 0 255.406 1.319 10 0 CDAERP CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001690708768 1175553311 /nfs/dbraw/zinc/55/33/11/1175553311.db2.gz XHCKFVPVSONNFE-HZSPNIEDSA-N 2 0 267.417 1.175 10 0 CDAERP C[NH+](C)C1(CN[C@H]2C[C@H]([NH3+])C23CCC3)CCCC1 ZINC000405200374 1159257986 /nfs/dbraw/zinc/25/79/86/1159257986.db2.gz AGBDGSMXPFNDSN-STQMWFEESA-N 2 0 251.418 1.720 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+]C/C=C/Cl ZINC001267474789 1159403464 /nfs/dbraw/zinc/40/34/64/1159403464.db2.gz VGHKVFHVWCFZMC-AATRIKPKSA-N 2 0 261.797 1.127 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]CC=C(C)C ZINC001481319560 1159655782 /nfs/dbraw/zinc/65/57/82/1159655782.db2.gz ILWUIHMHCSKPDF-OAHLLOKOSA-N 2 0 281.444 1.875 10 0 CDAERP CCOCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC001671256479 1160003368 /nfs/dbraw/zinc/00/33/68/1160003368.db2.gz GJDGLYHSGIBQHK-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001670807762 1160170198 /nfs/dbraw/zinc/17/01/98/1160170198.db2.gz QGYFHKPXFMGSMC-OLZOCXBDSA-N 2 0 265.401 1.262 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)CC1([NH3+])CC1)c1cccs1 ZINC000398078896 482242858 /nfs/dbraw/zinc/24/28/58/482242858.db2.gz MXEKUUJSYJMPCZ-SNVBAGLBSA-N 2 0 267.398 1.348 10 0 CDAERP O[C@H]1C[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C12CCC2 ZINC000668622895 482492746 /nfs/dbraw/zinc/49/27/46/482492746.db2.gz GCTGWKDEOCNKFA-HOTGVXAUSA-N 2 0 287.407 1.944 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000669514113 482534189 /nfs/dbraw/zinc/53/41/89/482534189.db2.gz XCEAMRUMLPJVSD-VHDGCEQUSA-N 2 0 275.396 1.581 10 0 CDAERP CC1([NH3+])CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000669514591 482535190 /nfs/dbraw/zinc/53/51/90/482535190.db2.gz RTXKYLVCWRSWGO-UPJWGTAASA-N 2 0 265.401 1.247 10 0 CDAERP C[NH+](C)C[C@@H](NC(=O)C[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000054308675 482550732 /nfs/dbraw/zinc/55/07/32/482550732.db2.gz FCKFPRRZVDAOPO-GOEBONIOSA-N 2 0 289.423 1.795 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000654381763 482564476 /nfs/dbraw/zinc/56/44/76/482564476.db2.gz PIBSQYUSIRWPDS-KBXIAJHMSA-N 2 0 294.443 1.253 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000417285480 482578741 /nfs/dbraw/zinc/57/87/41/482578741.db2.gz HKEILUHQQJCMCZ-AVGNSLFASA-N 2 0 270.421 1.014 10 0 CDAERP C[C@@H]1C[C@H](C)[N@H+]1C[C@@H](O)CN(C)Cc1ccccc1 ZINC000684208551 482703020 /nfs/dbraw/zinc/70/30/20/482703020.db2.gz NUSDTQBZVGNXJX-LZWOXQAQSA-N 2 0 262.397 1.962 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)o1 ZINC000094569132 482793885 /nfs/dbraw/zinc/79/38/85/482793885.db2.gz AHMUAYUNOUDAFJ-UHFFFAOYSA-N 2 0 291.395 1.686 10 0 CDAERP Cc1ccnc(NC(=O)NCCN(C)CCC[NH+](C)C)c1 ZINC000666642686 482835676 /nfs/dbraw/zinc/83/56/76/482835676.db2.gz YEISACVHAPARLV-UHFFFAOYSA-N 2 0 293.415 1.395 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000228478616 482849973 /nfs/dbraw/zinc/84/99/73/482849973.db2.gz MVBWEBZGDSTRMS-UONOGXRCSA-N 2 0 269.433 1.741 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH2+]Cc3ccccc32)C1 ZINC000087618422 482883597 /nfs/dbraw/zinc/88/35/97/482883597.db2.gz DTUWXTHENAACOT-DZGCQCFKSA-N 2 0 273.380 1.084 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)C1 ZINC000669403306 482887977 /nfs/dbraw/zinc/88/79/77/482887977.db2.gz TWVOICPPVHBXLR-LSDHHAIUSA-N 2 0 294.443 1.112 10 0 CDAERP CC[NH2+]CC1CCN(C(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000669403365 482888300 /nfs/dbraw/zinc/88/83/00/482888300.db2.gz XDHIMJPNQYWHFE-CQSZACIVSA-N 2 0 282.432 1.112 10 0 CDAERP C[C@H]([NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)C1CC[NH+](C)CC1 ZINC000671302252 482968822 /nfs/dbraw/zinc/96/88/22/482968822.db2.gz MRTSLYRDBZBEIM-AEGPPILISA-N 2 0 286.460 1.464 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)N(C)[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000666926884 483003960 /nfs/dbraw/zinc/00/39/60/483003960.db2.gz ZZBAZMWHWNSEOD-ZFWWWQNUSA-N 2 0 294.443 1.349 10 0 CDAERP C[NH+](C)C[C@H](NC(=O)[C@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000250346392 483016596 /nfs/dbraw/zinc/01/65/96/483016596.db2.gz GTSTUBCROJLFIL-JYJNAYRXSA-N 2 0 289.423 1.781 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000250880074 483029528 /nfs/dbraw/zinc/02/95/28/483029528.db2.gz VFBXECIDKDZGRR-MELADBBJSA-N 2 0 265.401 1.058 10 0 CDAERP C[C@H](NC(=O)N[C@H]1CCC[N@H+](C)C1)C(C)(C)C[NH+](C)C ZINC000674718415 483090940 /nfs/dbraw/zinc/09/09/40/483090940.db2.gz RRYSXTZJFPTLTP-STQMWFEESA-N 2 0 284.448 1.356 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000449346083 483201259 /nfs/dbraw/zinc/20/12/59/483201259.db2.gz YFKCXXWPUHJSCG-FQUUOJAGSA-N 2 0 267.417 1.493 10 0 CDAERP C[C@@H]1C[C@@H](C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)CCO1 ZINC000679331777 483245639 /nfs/dbraw/zinc/24/56/39/483245639.db2.gz AGMGQMDCNHLOSL-IKGGRYGDSA-N 2 0 295.471 1.513 10 0 CDAERP CC[C@@H]([NH3+])CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000669503399 483321454 /nfs/dbraw/zinc/32/14/54/483321454.db2.gz HCEDMRBHGVYJJS-ODWCKFRGSA-N 2 0 268.405 1.038 10 0 CDAERP C[C@@H]1CN(C)C[C@H]1[NH2+][C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000675554499 483330706 /nfs/dbraw/zinc/33/07/06/483330706.db2.gz ZQXAXOUKSOJECO-VHDGCEQUSA-N 2 0 279.428 1.317 10 0 CDAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CSC2)[C@H](C)C1 ZINC000679625298 483397888 /nfs/dbraw/zinc/39/78/88/483397888.db2.gz FTOYCAKZEDLGOQ-TZMCWYRMSA-N 2 0 272.458 1.828 10 0 CDAERP CC(C)[C@H](C[NH2+][C@@H]1CO[C@@H](C2CC2)C1)N1CC[NH+](C)CC1 ZINC000667777138 483420400 /nfs/dbraw/zinc/42/04/00/483420400.db2.gz OGVUCJCWDXKVSI-YESZJQIVSA-N 2 0 295.471 1.416 10 0 CDAERP C[NH2+]Cc1cccc(NC(=O)N[C@H]2CCC[N@H+](C)C2)c1 ZINC000667785828 483425810 /nfs/dbraw/zinc/42/58/10/483425810.db2.gz VDHPJYWRYQFCBF-AWEZNQCLSA-N 2 0 276.384 1.622 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)CC[NH2+]CC1CC(C)C1 ZINC001691567232 1160701129 /nfs/dbraw/zinc/70/11/29/1160701129.db2.gz NPNUEWFZDMGHET-UHFFFAOYSA-N 2 0 269.433 1.422 10 0 CDAERP CC(C)[NH2+][C@](C)(C[C@H](C)N1CC[N@H+](C)C(C)(C)C1)C(N)=O ZINC000068646876 519740300 /nfs/dbraw/zinc/74/03/00/519740300.db2.gz JGIVFDZCMOQXFK-XJKSGUPXSA-N 2 0 298.475 1.033 10 0 CDAERP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CCC[NH+](C)C ZINC000054601453 519910294 /nfs/dbraw/zinc/91/02/94/519910294.db2.gz JMOSJXOUIGTDGS-GOOCMWNKSA-N 2 0 253.434 1.933 10 0 CDAERP CCC[NH2+][C@@](C)(C[C@@H](C)N1CCC[C@@H]1C[NH+](C)C)C(N)=O ZINC000068642813 520042538 /nfs/dbraw/zinc/04/25/38/520042538.db2.gz CWRIVTJGTLROKE-FMKPAKJESA-N 2 0 298.475 1.035 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)N1CC[NH+]([C@H](C)CC)CC1 ZINC000061274861 520061139 /nfs/dbraw/zinc/06/11/39/520061139.db2.gz DVVOICFGAHTFPP-QWHCGFSZSA-N 2 0 255.406 1.317 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000061273739 520165455 /nfs/dbraw/zinc/16/54/55/520165455.db2.gz OBJSNWBHYDEWDH-CHWSQXEVSA-N 2 0 257.422 1.467 10 0 CDAERP CC[NH+](CC)CCc1ncc(C[NH2+]CCOC)cn1 ZINC000054856822 520712872 /nfs/dbraw/zinc/71/28/72/520712872.db2.gz CBUJECMDBHOYCO-UHFFFAOYSA-N 2 0 266.389 1.097 10 0 CDAERP CC(C)C[N@@H+]1CCCC2(CN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001485665274 1161281355 /nfs/dbraw/zinc/28/13/55/1161281355.db2.gz GKSWLSHMFKQWIG-UHFFFAOYSA-N 2 0 295.471 1.907 10 0 CDAERP CCOC1CC[NH+](C[C@H]2CC[C@H](C[NH2+]C)O2)CC1 ZINC000052484076 521656274 /nfs/dbraw/zinc/65/62/74/521656274.db2.gz QYXNPBDSFCEBTJ-ZIAGYGMSSA-N 2 0 256.390 1.254 10 0 CDAERP CCCN(CC[NH+](C)C)Cc1csc(C[NH3+])n1 ZINC000052544211 521658196 /nfs/dbraw/zinc/65/81/96/521658196.db2.gz ZQMJIWQKRIYIPC-UHFFFAOYSA-N 2 0 256.419 1.375 10 0 CDAERP C[NH2+]CC1(C[N@H+](C)[C@H]2CCSC2)CCOCC1 ZINC000052181511 521969709 /nfs/dbraw/zinc/96/97/09/521969709.db2.gz CVZRFEPYGIGQCS-LBPRGKRZSA-N 2 0 258.431 1.440 10 0 CDAERP COC[C@@H](C)[N@H+](C)CCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000052511698 522214923 /nfs/dbraw/zinc/21/49/23/522214923.db2.gz WYNNNHYKEUMJFQ-GFCCVEGCSA-N 2 0 283.420 1.133 10 0 CDAERP CCCCC[N@H+]1CC=C(CNC(=O)CC[NH+](C)C)CC1 ZINC001718027482 1180975754 /nfs/dbraw/zinc/97/57/54/1180975754.db2.gz NPXASLFHWLNWTE-UHFFFAOYSA-N 2 0 281.444 1.877 10 0 CDAERP C[NH2+][C@@H](C)C1CC[NH+](C[C@H](O)COC(C)C)CC1 ZINC000070099158 522322350 /nfs/dbraw/zinc/32/23/50/522322350.db2.gz BYEIAYKXYYQUGC-JSGCOSHPSA-N 2 0 258.406 1.092 10 0 CDAERP CC[C@H]([NH3+])[C@H](N1CCC[C@@H]1C[NH+](C)C)C(F)(F)F ZINC000061642249 522341672 /nfs/dbraw/zinc/34/16/72/522341672.db2.gz ITMIIJFFCBPHDE-VWYCJHECSA-N 2 0 267.339 1.681 10 0 CDAERP CC(C)[N@H+](C)CCCC[NH2+]C[C@@H](O)C(F)(F)F ZINC000068879846 519617945 /nfs/dbraw/zinc/61/79/45/519617945.db2.gz RKUXYPDMESYAIK-SNVBAGLBSA-N 2 0 256.312 1.620 10 0 CDAERP CC(C)[NH2+]CCC[C@H](C)[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061654957 519721280 /nfs/dbraw/zinc/72/12/80/519721280.db2.gz WDLJNDPWLXGJNH-INIZCTEOSA-N 3 0 284.492 1.332 10 0 CDAERP CC(C)[NH2+]Cc1cc(CN2CCC[C@@H]2C[NH+](C)C)on1 ZINC000061654429 519726207 /nfs/dbraw/zinc/72/62/07/519726207.db2.gz DGNOOZGKNNNCKU-CQSZACIVSA-N 2 0 280.416 1.699 10 0 CDAERP CC(C)[NH2+][C@](C)(C[C@H](C)N(C)C1CC[NH+](C)CC1)C(N)=O ZINC000068621383 519740200 /nfs/dbraw/zinc/74/02/00/519740200.db2.gz HULZXVZPNVYDFT-XJKSGUPXSA-N 2 0 298.475 1.033 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CC[C@@H](C[N@@H+]2CCOCC2(C)C)O1 ZINC000052546202 519746261 /nfs/dbraw/zinc/74/62/61/519746261.db2.gz SCAYUORNFNNQSJ-CABCVRRESA-N 2 0 284.444 1.890 10 0 CDAERP CC(C)C[NH2+]Cc1cccnc1N1CC[C@H]([NH+](C)C)C1 ZINC000062971185 519748192 /nfs/dbraw/zinc/74/81/92/519748192.db2.gz KGGXRLDOQGEEIE-HNNXBMFYSA-N 2 0 276.428 1.968 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)COc1ccc(C[NH3+])cc1 ZINC000049192222 519814236 /nfs/dbraw/zinc/81/42/36/519814236.db2.gz WGGUOCOAHYTADL-HNNXBMFYSA-N 2 0 293.411 1.227 10 0 CDAERP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CC[N@H+](C)CCOC ZINC000061380881 519907774 /nfs/dbraw/zinc/90/77/74/519907774.db2.gz IHCVGFFEOMXRIG-ALOPSCKCSA-N 2 0 297.487 1.950 10 0 CDAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC[N@H+](C)CCOC ZINC000061380888 519910745 /nfs/dbraw/zinc/91/07/45/519910745.db2.gz RMXWXVXWRSDZMJ-GOOCMWNKSA-N 2 0 269.433 1.170 10 0 CDAERP CC[NH2+]CC(C)(C)CN1CC[NH+](CC(C)C)CC1 ZINC000055081827 519911598 /nfs/dbraw/zinc/91/15/98/519911598.db2.gz DNLPSHVHSVMHNQ-UHFFFAOYSA-N 2 0 255.450 1.896 10 0 CDAERP CCC[NH2+]Cc1ccc(N2CC[C@@H]([NH+](C)C)C2)nc1 ZINC000062971226 519950427 /nfs/dbraw/zinc/95/04/27/519950427.db2.gz VETLOPCKMCIPNN-CQSZACIVSA-N 2 0 262.401 1.722 10 0 CDAERP CC[NH2+]C[C@@H]1CC[N@H+](CCc2ccc3c(c2)OCCO3)C1 ZINC000053011406 519951704 /nfs/dbraw/zinc/95/17/04/519951704.db2.gz TZRQQUFVKHKOFM-HNNXBMFYSA-N 2 0 290.407 1.932 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000061266235 519963338 /nfs/dbraw/zinc/96/33/38/519963338.db2.gz WCVRLAFSEGSIEQ-STQMWFEESA-N 2 0 255.406 1.223 10 0 CDAERP CC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1C[N@H+](C)CCO ZINC000054560055 520122248 /nfs/dbraw/zinc/12/22/48/520122248.db2.gz GZXAPAPYWMTVQZ-RRFJBIMHSA-N 2 0 256.434 1.961 10 0 CDAERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCSC)C1 ZINC000340686397 520696359 /nfs/dbraw/zinc/69/63/59/520696359.db2.gz AIMXEGMIKYEMCJ-CYBMUJFWSA-N 2 0 260.447 1.782 10 0 CDAERP CCC(CC)NC(=O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000070188319 521574457 /nfs/dbraw/zinc/57/44/57/521574457.db2.gz KFEKBWJABUPMJR-UHFFFAOYSA-N 2 0 255.406 1.352 10 0 CDAERP CCC(CC)[C@H](CNC(=O)C[NH2+]C)[NH+]1CCCC1 ZINC000236688946 521617054 /nfs/dbraw/zinc/61/70/54/521617054.db2.gz HNPQJDCAAPRXOL-ZDUSSCGKSA-N 2 0 255.406 1.223 10 0 CDAERP CCN1CC[NH+](CCCC[NH2+]Cc2cnc(C)nc2)CC1 ZINC000339283038 521679878 /nfs/dbraw/zinc/67/98/78/521679878.db2.gz OEOZIAZLAMIBRL-UHFFFAOYSA-N 2 0 291.443 1.292 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)CCC1CCC([NH3+])CC1 ZINC000061656213 521861206 /nfs/dbraw/zinc/86/12/06/521861206.db2.gz VYPDZPADXJKEHR-YMAMQOFZSA-N 2 0 281.444 1.837 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1[C@@H]1COc2ccccc2[C@@H]1[NH3+] ZINC000061643455 521874177 /nfs/dbraw/zinc/87/41/77/521874177.db2.gz PIEWZYFUFLJFBH-XPKDYRNWSA-N 2 0 275.396 1.473 10 0 CDAERP C[NH2+]C(C)(C)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000061317816 521936639 /nfs/dbraw/zinc/93/66/39/521936639.db2.gz UDRJBJOAUXADAQ-LBPRGKRZSA-N 2 0 255.406 1.223 10 0 CDAERP C[NH2+]CCCCC[NH+]1CCN(c2nccs2)CC1 ZINC000052417697 521991081 /nfs/dbraw/zinc/99/10/81/521991081.db2.gz CXRGAADEIWCWJD-UHFFFAOYSA-N 2 0 268.430 1.655 10 0 CDAERP CC[C@@H](C)[N@H+](CCOC)Cc1ccnc(C[NH3+])c1 ZINC000068750193 522092654 /nfs/dbraw/zinc/09/26/54/522092654.db2.gz ABSUAXVRZYAQQB-GFCCVEGCSA-N 2 0 251.374 1.787 10 0 CDAERP C[NH2+]Cc1ccc(C[N@H+](CCOC)[C@H](C)COC)o1 ZINC000052572327 522117457 /nfs/dbraw/zinc/11/74/57/522117457.db2.gz RDPXIPBKNRKJTO-GFCCVEGCSA-N 2 0 270.373 1.482 10 0 CDAERP C[NH2+]Cc1cccc(OCC[NH+]2CCSCC2)c1 ZINC000052425591 522135037 /nfs/dbraw/zinc/13/50/37/522135037.db2.gz NRHDKWQWGMPVHA-UHFFFAOYSA-N 2 0 266.410 1.834 10 0 CDAERP C[NH2+]Cc1ccnc(N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000062971367 522138394 /nfs/dbraw/zinc/13/83/94/522138394.db2.gz MEXZGTALLYJOKV-AWEZNQCLSA-N 2 0 260.385 1.476 10 0 CDAERP C[NH2+]Cc1ccoc1CN1CCC[C@@H]1C[NH+](C)C ZINC000061654460 522143685 /nfs/dbraw/zinc/14/36/85/522143685.db2.gz NKJDJGCXKPWXMM-CYBMUJFWSA-N 2 0 251.374 1.525 10 0 CDAERP CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062973109 522300395 /nfs/dbraw/zinc/30/03/95/522300395.db2.gz KXRMVCHWJKLJKW-FRRDWIJNSA-N 2 0 253.390 1.057 10 0 CDAERP C[NH2+][C@@H](C)c1cnc(N(C)[C@@H]2CCC[N@H+](C)C2)s1 ZINC000054905607 522336343 /nfs/dbraw/zinc/33/63/43/522336343.db2.gz CHUBXOPDGNYQTQ-WDEREUQCSA-N 2 0 268.430 1.954 10 0 CDAERP C[NH2+][C@H](CN1CCC[C@@H]1C[NH+](C)C)c1ccc(OC)cc1 ZINC000061643443 522466189 /nfs/dbraw/zinc/46/61/89/522466189.db2.gz GDRWTRQEVFOVKS-NVXWUHKLSA-N 2 0 291.439 1.982 10 0 CDAERP COCC[N@H+](C)C[C@H]1CC[C@H](C[NH2+]C(C)(C)C)O1 ZINC000052572942 523620979 /nfs/dbraw/zinc/62/09/79/523620979.db2.gz OEROXBUPQSSJHN-CHWSQXEVSA-N 2 0 258.406 1.500 10 0 CDAERP C[NH+]1CCC(OCCn2cc(C[NH2+]C(C)(C)C)nn2)CC1 ZINC000052596728 523781462 /nfs/dbraw/zinc/78/14/62/523781462.db2.gz LPBZATWWZZWVPV-UHFFFAOYSA-N 2 0 295.431 1.277 10 0 CDAERP CN(C(=O)C[C@@H]1CCC[C@@H]([NH3+])C1)C1CC[NH+](C)CC1 ZINC000055123283 523843623 /nfs/dbraw/zinc/84/36/23/523843623.db2.gz KIRYMIBFQFYHGP-CHWSQXEVSA-N 2 0 267.417 1.447 10 0 CDAERP COCC[NH2+]CCCN1CCC(C[NH+]2CCCC2)CC1 ZINC000062037241 523935860 /nfs/dbraw/zinc/93/58/60/523935860.db2.gz YAGSYHCWCJWEIN-UHFFFAOYSA-N 2 0 283.460 1.420 10 0 CDAERP CC[C@H](C)[NH+]1CCN(CC2(C[NH3+])CCCC2)CC1 ZINC000055072105 523953514 /nfs/dbraw/zinc/95/35/14/523953514.db2.gz PYGDIIUPDQGYGL-AWEZNQCLSA-N 2 0 253.434 1.922 10 0 CDAERP CC[C@H](C)[NH+]1CCN(CC[NH2+]C[C@H]2CCCO2)CC1 ZINC000055075587 523954374 /nfs/dbraw/zinc/95/43/74/523954374.db2.gz AARFJWNHAUNADU-LSDHHAIUSA-N 2 0 269.433 1.171 10 0 CDAERP C[NH+](C)C(C)(C)CNC(=O)C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000055141734 524032261 /nfs/dbraw/zinc/03/22/61/524032261.db2.gz GPFJGXKDNAMUMH-NEPJUHHUSA-N 2 0 255.406 1.350 10 0 CDAERP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1CCC[C@@H](C[NH3+])C1 ZINC000055146275 524045903 /nfs/dbraw/zinc/04/59/03/524045903.db2.gz DZDBRUFDVMXLSR-CHWSQXEVSA-N 2 0 269.433 1.456 10 0 CDAERP C[C@@H](C(=O)N(CC[NH+](C)C)C1CCCC1)C1C[NH2+]C1 ZINC000164290872 524091200 /nfs/dbraw/zinc/09/12/00/524091200.db2.gz IPMKXKXDDSGPNV-GFCCVEGCSA-N 2 0 267.417 1.175 10 0 CDAERP C[C@@H]1CCC[C@@](C[NH3+])(N2CCN(CC[NH+](C)C)CC2)C1 ZINC000061643188 524336539 /nfs/dbraw/zinc/33/65/39/524336539.db2.gz GJXHWPPFOBEYPY-HZPDHXFCSA-N 2 0 282.476 1.073 10 0 CDAERP C[C@H]1CC[C@@H]([NH3+])C[C@@H]1C(=O)NCC[NH+]1CCCCCC1 ZINC000055136248 524363200 /nfs/dbraw/zinc/36/32/00/524363200.db2.gz DHTNEWGERBIIKE-ZNMIVQPWSA-N 2 0 281.444 1.742 10 0 CDAERP C[C@@H]1CCC[C@H]([NH2+]CCN2CCN(CC[NH+](C)C)CC2)C1 ZINC000061655361 524409743 /nfs/dbraw/zinc/40/97/43/524409743.db2.gz UOFXNVYCWAADRR-SJORKVTESA-N 2 0 296.503 1.334 10 0 CDAERP CC(C)[C@H](C(=O)NCC1=CC[N@@H+](C(C)C)CC1)[NH+](C)C ZINC001677624197 1174379208 /nfs/dbraw/zinc/37/92/08/1174379208.db2.gz MQJVIHTVDLOFBZ-OAHLLOKOSA-N 2 0 281.444 1.729 10 0 CDAERP C[C@H]1C[C@H]([NH3+])CC[C@@H]1C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC000055141115 524903229 /nfs/dbraw/zinc/90/32/29/524903229.db2.gz PYCIYQPIZACWLA-MJBXVCDLSA-N 2 0 281.444 1.693 10 0 CDAERP C[C@H](NCC[NH+]1CCCCC1)[C@H]1CCC[N@H+](C)C1 ZINC000049574785 525350950 /nfs/dbraw/zinc/35/09/50/525350950.db2.gz JSTHZWRVAZOIKM-GJZGRUSLSA-N 2 0 253.434 1.792 10 0 CDAERP C[C@@]1([NH2+]CCC[C@@H]2CCCC[NH2+]2)CCS(=O)(=O)C1 ZINC000050954039 525872336 /nfs/dbraw/zinc/87/23/36/525872336.db2.gz KHDLYGQVMMTBPU-QWHCGFSZSA-N 2 0 274.430 1.076 10 0 CDAERP O=C(CC[C@H]1CCCC[NH2+]1)N1CCC([NH+]2CCCC2)CC1 ZINC000050948612 526564633 /nfs/dbraw/zinc/56/46/33/526564633.db2.gz PYNPGIHDOGMVNK-OAHLLOKOSA-N 2 0 293.455 1.996 10 0 CDAERP NC(=[NH2+])c1cc(CN2CCC[N@@H+]3CCC[C@@H]3C2)ccn1 ZINC000068761941 526819107 /nfs/dbraw/zinc/81/91/07/526819107.db2.gz FDZHCBAEJSYXBI-CYBMUJFWSA-N 2 0 273.384 1.036 10 0 CDAERP [NH3+]C1CCC(CCC(=O)N[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000055123577 527139772 /nfs/dbraw/zinc/13/97/72/527139772.db2.gz YENNDWZHNYQUMH-ZALBZXLWSA-N 2 0 279.428 1.495 10 0 CDAERP [NH3+]Cc1ccc(OCC[N@@H+]2CCC[C@H]2CCCO)cc1 ZINC000052758325 527258188 /nfs/dbraw/zinc/25/81/88/527258188.db2.gz PZFGWNUZIINUNS-HNNXBMFYSA-N 2 0 278.396 1.761 10 0 CDAERP COCCOC[C@@H]1CC[N@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000414708729 536535228 /nfs/dbraw/zinc/53/52/28/536535228.db2.gz PEJOYSXKVYRHID-ZIAGYGMSSA-N 2 0 258.406 1.345 10 0 CDAERP CC[C@@H](Cn1cncn1)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000353674390 535776786 /nfs/dbraw/zinc/77/67/86/535776786.db2.gz IZRMIQBBPUWMPL-AWEZNQCLSA-N 2 0 279.432 1.768 10 0 CDAERP CC[C@](C)(O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000119416923 535845359 /nfs/dbraw/zinc/84/53/59/535845359.db2.gz YJQFMEULVOWILC-HNNXBMFYSA-N 2 0 254.418 1.955 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCc1ccc(C)c(OC)c1 ZINC000422783958 536594977 /nfs/dbraw/zinc/59/49/77/536594977.db2.gz NMKPGCCRUSZCJP-OAHLLOKOSA-N 2 0 280.412 1.890 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H](O)C1CCCCC1 ZINC000422698613 536850864 /nfs/dbraw/zinc/85/08/64/536850864.db2.gz ADBOBLPMKVEMDH-KBPBESRZSA-N 2 0 258.406 1.271 10 0 CDAERP [NH3+][C@H](CNc1ccnn1C1C[NH2+]C1)c1cccs1 ZINC000725258701 538453000 /nfs/dbraw/zinc/45/30/00/538453000.db2.gz XOAPPKFBEDRRKL-SNVBAGLBSA-N 2 0 263.370 1.201 10 0 CDAERP NC(=O)CC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000309684964 538823847 /nfs/dbraw/zinc/82/38/47/538823847.db2.gz BJJASPNFHGWCMI-BZUAXINKSA-N 2 0 287.407 1.362 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](CC[C@@H]2CCOC2=O)CC1 ZINC000753845359 576862095 /nfs/dbraw/zinc/86/20/95/576862095.db2.gz PJLDDRRKXXFJJZ-OAHLLOKOSA-N 2 0 282.428 1.993 10 0 CDAERP CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001689014133 1175085128 /nfs/dbraw/zinc/08/51/28/1175085128.db2.gz HVXRXZQCFMLJSM-BFHYXJOUSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001689802626 1175262655 /nfs/dbraw/zinc/26/26/55/1175262655.db2.gz BFZJCVLTNOHISN-DZGCQCFKSA-N 2 0 299.434 1.514 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001690279248 1175421865 /nfs/dbraw/zinc/42/18/65/1175421865.db2.gz YBZJDOJHKNHUOU-HDJSIYSDSA-N 2 0 281.444 1.898 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC=C(C)C)C2)CC[N@@H+]1C ZINC001690276870 1175421009 /nfs/dbraw/zinc/42/10/09/1175421009.db2.gz SYFZXUCIXCTOQH-YHUYYLMFSA-N 2 0 293.455 1.920 10 0 CDAERP CCC/C=C\CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001690298889 1175430361 /nfs/dbraw/zinc/43/03/61/1175430361.db2.gz WNSZKQTWXZJAOI-WRANKLGHSA-N 2 0 293.455 1.921 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000806926277 617394823 /nfs/dbraw/zinc/39/48/23/617394823.db2.gz XJSWCCKLHJNKMN-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)N1CCOCC1 ZINC000925514587 617421660 /nfs/dbraw/zinc/42/16/60/617421660.db2.gz AGSCYULRMAQGNR-RRFJBIMHSA-N 2 0 281.444 1.203 10 0 CDAERP CC1CC[NH+](CCCN[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925512007 617416394 /nfs/dbraw/zinc/41/63/94/617416394.db2.gz YDHMYQXEYZHZGV-OAHLLOKOSA-N 2 0 265.445 1.983 10 0 CDAERP CCCCOCCOCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925527711 617454717 /nfs/dbraw/zinc/45/47/17/617454717.db2.gz WQZVKPNFIZCEDY-KBPBESRZSA-N 2 0 270.417 1.679 10 0 CDAERP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@H]1CC[N@H+](CC3CC3)C1)[NH2+]2 ZINC000925558699 617509124 /nfs/dbraw/zinc/50/91/24/617509124.db2.gz VQHQGDFHZXOTLD-CHUNWDLHSA-N 2 0 263.429 1.589 10 0 CDAERP CC(C)(C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)C(N)=O ZINC000925601524 617544547 /nfs/dbraw/zinc/54/45/47/617544547.db2.gz LPIQMWQXKUZSKZ-STQMWFEESA-N 2 0 267.417 1.256 10 0 CDAERP Cc1ccc([C@H](O)C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)o1 ZINC000925622810 617569226 /nfs/dbraw/zinc/56/92/26/617569226.db2.gz NADNWXPEJCEILK-WXHSDQCUSA-N 2 0 250.342 1.481 10 0 CDAERP Cc1n[nH]c(CC[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)n1 ZINC000925632153 617578901 /nfs/dbraw/zinc/57/89/01/617578901.db2.gz OCYXFOOOPKLMQQ-WXHSDQCUSA-N 2 0 263.389 1.022 10 0 CDAERP CC1(C)[C@H]([NH2+]C[C@@]2(C)CCC(=O)N2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925686894 617675103 /nfs/dbraw/zinc/67/51/03/617675103.db2.gz ZEYPNUOAAFFCNA-CQROYNQRSA-N 2 0 265.401 1.021 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](O)c1c(F)cccc1F ZINC000925765793 617607695 /nfs/dbraw/zinc/60/76/95/617607695.db2.gz FJQZMSAXXIWTBO-MFKMUULPSA-N 2 0 288.338 1.342 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C ZINC000925772512 617645616 /nfs/dbraw/zinc/64/56/16/617645616.db2.gz IITJRDHIBNRBSL-OAXDCTPSSA-N 2 0 252.402 1.620 10 0 CDAERP CC1(C)C[C@@H]([NH2+][C@H]2C[C@@H]3CCCCN3C2=O)C[C@@H]([NH3+])C1 ZINC000925693897 617708085 /nfs/dbraw/zinc/70/80/85/617708085.db2.gz NFCDZXKXHZODPA-RFGFWPKPSA-N 2 0 279.428 1.635 10 0 CDAERP CC1(C)[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925697963 617735254 /nfs/dbraw/zinc/73/52/54/617735254.db2.gz BQNFJVBJEGOUIQ-MQLXINIDSA-N 2 0 251.418 1.623 10 0 CDAERP COc1cc([C@@H](C)[NH2+]CCN2CCC([NH3+])CC2)ccc1F ZINC000925814097 617760294 /nfs/dbraw/zinc/76/02/94/617760294.db2.gz FSAGVKOLUCIYRD-GFCCVEGCSA-N 2 0 295.402 1.908 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC000925825525 617808143 /nfs/dbraw/zinc/80/81/43/617808143.db2.gz GAVDNRPPFSNDGA-QWHCGFSZSA-N 2 0 268.401 1.025 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925718962 617841843 /nfs/dbraw/zinc/84/18/43/617841843.db2.gz LAWAWWXPTOMCFP-FXUDXRNXSA-N 2 0 265.445 1.885 10 0 CDAERP C[C@@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000925833390 617859149 /nfs/dbraw/zinc/85/91/49/617859149.db2.gz HJSNMXUGHPEZET-IJLUTSLNSA-N 2 0 281.366 1.989 10 0 CDAERP C[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1nccn1C ZINC000925846240 617880814 /nfs/dbraw/zinc/88/08/14/617880814.db2.gz TWNHEXMRXRBTNZ-CQSZACIVSA-N 2 0 279.432 1.146 10 0 CDAERP c1[nH+]cn2cc(C[NH2+][C@H]3CCOC34CCOCC4)ccc12 ZINC000926567357 618088705 /nfs/dbraw/zinc/08/87/05/618088705.db2.gz LINZZYPVDASIQO-HNNXBMFYSA-N 2 0 287.363 1.762 10 0 CDAERP O[C@H](C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)CC(F)(F)F ZINC000923363258 618323610 /nfs/dbraw/zinc/32/36/10/618323610.db2.gz BGCVDQMOIMKMPP-GRYCIOLGSA-N 2 0 280.334 1.764 10 0 CDAERP C[NH+](C)CCCC[NH2+]CC1CCC2(CC1)OCCO2 ZINC000795915294 618394825 /nfs/dbraw/zinc/39/48/25/618394825.db2.gz QSHNJMJHNLSTRN-UHFFFAOYSA-N 2 0 270.417 1.851 10 0 CDAERP C[C@@H](C[NH2+][C@@H](C1CC1)C1CCOCC1)N1CC[NH+](C)CC1 ZINC000924967307 618485974 /nfs/dbraw/zinc/48/59/74/618485974.db2.gz XDMTZUZNHYUFLO-YOEHRIQHSA-N 2 0 295.471 1.417 10 0 CDAERP C[C@@H]1CC2(CC([NH2+]C[C@@H]3CCC[N@H+](C)C3)C2)CO1 ZINC000925010646 618766396 /nfs/dbraw/zinc/76/63/96/618766396.db2.gz NAXABAGKNAUXNY-DNDYEEKYSA-N 2 0 252.402 1.875 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)[C@@H](c2ccccc2)N(C)C)CC[N@@H+]1C ZINC000928440938 619085704 /nfs/dbraw/zinc/08/57/04/619085704.db2.gz OFNXZFHFQMVAPC-VHDGCEQUSA-N 2 0 275.396 1.498 10 0 CDAERP Cc1ccnc(N)c1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000894965451 619164916 /nfs/dbraw/zinc/16/49/16/619164916.db2.gz FSHQIASJFSRHOP-UHFFFAOYSA-N 2 0 262.401 1.936 10 0 CDAERP C[C@H](CC[NH2+]CC(C)(C)N1CCOCC1)[NH+](C)C ZINC000895291260 619521143 /nfs/dbraw/zinc/52/11/43/619521143.db2.gz AGOHNXJIUSIPMM-CYBMUJFWSA-N 2 0 257.422 1.027 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CO[C@@H](C)[C@H]1C ZINC000925241859 620611496 /nfs/dbraw/zinc/61/14/96/620611496.db2.gz SYDSDJKMTJNAHQ-XJFOESAGSA-N 2 0 258.406 1.356 10 0 CDAERP COCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H](C)C1CC1 ZINC000899265064 622128943 /nfs/dbraw/zinc/12/89/43/622128943.db2.gz SCVHWJJCXHKJQL-AAEUAGOBSA-N 2 0 268.405 1.010 10 0 CDAERP CCN1CC[NH+](CCCCNC(=[NH2+])N[C@@H](C)C2CC2)CC1 ZINC000899266689 622130813 /nfs/dbraw/zinc/13/08/13/622130813.db2.gz UKBLKUZFCBLBEG-AWEZNQCLSA-N 2 0 295.475 1.317 10 0 CDAERP C[NH+](C)CCN(C(=O)C12CC[NH+](CC1)C2)C1CCCCC1 ZINC000900660471 623341515 /nfs/dbraw/zinc/34/15/15/623341515.db2.gz VIVRKRWLXRJTBB-UHFFFAOYSA-N 2 0 293.455 1.805 10 0 CDAERP C[NH+](C)CCCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900689356 623375376 /nfs/dbraw/zinc/37/53/76/623375376.db2.gz JQCSGBGWZUYLKF-KGLIPLIRSA-N 2 0 267.417 1.461 10 0 CDAERP CN1CC[C@](O)(C[NH2+][C@@H]2CCC[C@@H](C3CCOCC3)C2)C1 ZINC000902954123 625689812 /nfs/dbraw/zinc/68/98/12/625689812.db2.gz QQQTVYRPTWMSOO-ZACQAIPSSA-N 2 0 296.455 1.628 10 0 CDAERP C[NH+](C)CCCC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000901277815 624064448 /nfs/dbraw/zinc/06/44/48/624064448.db2.gz YRXYLVSQVQYJON-UHFFFAOYSA-N 2 0 293.455 1.663 10 0 CDAERP C([NH2+][C@H]1CCO[C@@]12CCOC2)C1CC[NH+](C2CC2)CC1 ZINC000903158950 625870362 /nfs/dbraw/zinc/87/03/62/625870362.db2.gz DNNLIVCYDRSRCJ-JKSUJKDBSA-N 2 0 280.412 1.398 10 0 CDAERP CC(C)COC1CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903432864 625990826 /nfs/dbraw/zinc/99/08/26/625990826.db2.gz OAVHDHCCOIDBNL-KGLIPLIRSA-N 2 0 254.418 1.979 10 0 CDAERP CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903440136 625992531 /nfs/dbraw/zinc/99/25/31/625992531.db2.gz UMDLIFYUNBNWML-BVUBDWEXSA-N 2 0 281.444 1.563 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H]1CN1C[C@@H](C)O[C@H](C)C1 ZINC000903442249 625997202 /nfs/dbraw/zinc/99/72/02/625997202.db2.gz MIIIBOHIRCCXME-MTSZKFMLSA-N 2 0 295.471 1.416 10 0 CDAERP [NH3+][C@@H]1CC[C@H](CN2CC[NH2+]C[C@@H]2c2cccc(F)c2)C1 ZINC000903452514 626000754 /nfs/dbraw/zinc/00/07/54/626000754.db2.gz OJXQNEJDUGVCTH-APHBMKBZSA-N 2 0 277.387 1.899 10 0 CDAERP COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903456749 626002451 /nfs/dbraw/zinc/00/24/51/626002451.db2.gz KOLJPQMFGNSMAJ-QMVSFRDZSA-N 2 0 266.385 1.115 10 0 CDAERP C[C@@H]1C[N@@H+]([C@H]2CCc3ccccc3NC2=O)C[C@H]1CC[NH3+] ZINC000903498756 626008547 /nfs/dbraw/zinc/00/85/47/626008547.db2.gz CVDOHAGMRVHZSG-XPKDYRNWSA-N 2 0 287.407 1.857 10 0 CDAERP [NH3+][C@@H]1CN(CCC2CC[NH2+]CC2)C[C@H]1C(F)(F)F ZINC000903514915 626013389 /nfs/dbraw/zinc/01/33/89/626013389.db2.gz YNSIKYQQGFEHLS-GHMZBOCLSA-N 2 0 265.323 1.198 10 0 CDAERP O=C(CC[N@@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1)N1CC[NH2+]CC1 ZINC000903490910 626010678 /nfs/dbraw/zinc/01/06/78/626010678.db2.gz MNUKALFRYQVLJA-AEFFLSMTSA-N 2 0 299.418 1.082 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCOCCC(C)C)C2 ZINC000903492158 626010897 /nfs/dbraw/zinc/01/08/97/626010897.db2.gz KQLMNIMWJCIVND-LZWOXQAQSA-N 2 0 298.427 1.261 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@H](C)c1ccccc1)C2 ZINC000903492371 626011098 /nfs/dbraw/zinc/01/10/98/626011098.db2.gz OGACLETVDNDXEN-JWDQPFGJSA-N 2 0 288.391 1.960 10 0 CDAERP CC(C)N(C(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1)C(C)C ZINC000903496323 626011875 /nfs/dbraw/zinc/01/18/75/626011875.db2.gz KEWUYTCYTQMLJP-RBSFLKMASA-N 2 0 283.460 1.937 10 0 CDAERP [NH3+]CCCCCCCN1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903514924 626013355 /nfs/dbraw/zinc/01/33/55/626013355.db2.gz YUOPGLFZZOXKRC-GHMZBOCLSA-N 2 0 267.339 1.717 10 0 CDAERP C[C@]1(C2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)COC(=O)N1 ZINC000903564463 626020959 /nfs/dbraw/zinc/02/09/59/626020959.db2.gz WGSLFXDNCLZNJG-CZUORRHYSA-N 2 0 295.427 1.587 10 0 CDAERP CC[N@H+](CCC(N)=O)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000903577680 626029836 /nfs/dbraw/zinc/02/98/36/626029836.db2.gz QJENERAGGHUUDR-UHFFFAOYSA-N 2 0 261.369 1.030 10 0 CDAERP CCN(CC)CC[N@H+](CCOC)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903890545 626124783 /nfs/dbraw/zinc/12/47/83/626124783.db2.gz DZJVCBIVNNQJLH-ALOPSCKCSA-N 2 0 297.487 1.807 10 0 CDAERP C[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903873078 626127249 /nfs/dbraw/zinc/12/72/49/626127249.db2.gz FKSNFWWQYJKNNC-ZSGMNJJHSA-N 3 0 263.429 1.732 10 0 CDAERP CC[C@@H](C)C[N@H+](C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903885149 626133127 /nfs/dbraw/zinc/13/31/27/626133127.db2.gz IQPKHASGTZVSPW-OLZOCXBDSA-N 2 0 265.405 1.681 10 0 CDAERP CC[C@H](C)C[N@H+](C)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903886453 626133456 /nfs/dbraw/zinc/13/34/56/626133456.db2.gz SSQQFDJLGNWQOU-JSGCOSHPSA-N 2 0 266.433 1.824 10 0 CDAERP COCCCOCC[N@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903902646 626139592 /nfs/dbraw/zinc/13/95/92/626139592.db2.gz LOXJLSIVTYZFHT-GOOCMWNKSA-N 2 0 270.417 1.502 10 0 CDAERP CC(C)[N@H+](C[C@@H]1CCC(=O)N1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903930186 626150947 /nfs/dbraw/zinc/15/09/47/626150947.db2.gz ULLDGICKNZSIGV-DKUMPPAJSA-N 2 0 279.428 1.506 10 0 CDAERP C[C@@H]1C[C@@H](C[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)CC[NH2+]1 ZINC000903937250 626155193 /nfs/dbraw/zinc/15/51/93/626155193.db2.gz GFQIBTKHAXXECB-OAGGEKHMSA-N 3 0 288.439 1.980 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC[C@@H]([NH3+])CC(F)F)cc1 ZINC000903917508 626157125 /nfs/dbraw/zinc/15/71/25/626157125.db2.gz MQKHXUAYAUFDCD-SKDRFNHKSA-N 2 0 257.328 1.778 10 0 CDAERP FC1(F)CC[NH2+]C[C@H]1CNCc1cnc2cnccn12 ZINC000903955182 626166641 /nfs/dbraw/zinc/16/66/41/626166641.db2.gz MEMGUXFSTRHZOH-JTQLQIEISA-N 2 0 281.310 1.064 10 0 CDAERP C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2cccnc2)C[C@H]1CC[NH3+] ZINC000903976981 626170079 /nfs/dbraw/zinc/17/00/79/626170079.db2.gz GMLZINUSFRXFFJ-TZMCWYRMSA-N 2 0 285.395 1.888 10 0 CDAERP C[C@@H]1C[N@H+](Cc2cc(C(N)=O)cs2)C[C@H]1CC[NH3+] ZINC000903977789 626170082 /nfs/dbraw/zinc/17/00/82/626170082.db2.gz ZJSGOROMHLKPIC-NXEZZACHSA-N 2 0 267.398 1.264 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000903968176 626172102 /nfs/dbraw/zinc/17/21/02/626172102.db2.gz RGDXFFZBKSOKAO-KGLIPLIRSA-N 2 0 295.471 1.859 10 0 CDAERP C([NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000904417088 626287102 /nfs/dbraw/zinc/28/71/02/626287102.db2.gz ZOQAVZDUUUCIJO-OIISXLGYSA-N 3 0 277.456 1.698 10 0 CDAERP C[C@H](CNC(=[NH2+])NC[C@@H]1CCCS1)[NH+]1CCCCC1 ZINC000905041619 626380942 /nfs/dbraw/zinc/38/09/42/626380942.db2.gz JNBQUAYNVXNFKC-OLZOCXBDSA-N 2 0 284.473 1.870 10 0 CDAERP C[N@H+]1CC=C(CNC(=[NH2+])NC[C@H]2CCCS2)CC1 ZINC000905045152 626384041 /nfs/dbraw/zinc/38/40/41/626384041.db2.gz CDJZGMDMIIOAKQ-GFCCVEGCSA-N 2 0 268.430 1.258 10 0 CDAERP C[C@@H](CNC(=[NH2+])NC[C@@H]1CCCS1)C[NH+](C)C ZINC000905049841 626386284 /nfs/dbraw/zinc/38/62/84/626386284.db2.gz RQXSXCAOWUGLTB-QWRGUYRKSA-N 2 0 258.435 1.194 10 0 CDAERP CC1(C)[C@H]([NH3+])C[C@H]1c1nc(CC2CC[NH2+]CC2)no1 ZINC000905308140 626757532 /nfs/dbraw/zinc/75/75/32/626757532.db2.gz FWKMVKWDPBQWGZ-WDEREUQCSA-N 2 0 264.373 1.453 10 0 CDAERP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC000908525768 628244089 /nfs/dbraw/zinc/24/40/89/628244089.db2.gz ZIKDDWFXPIWZRT-HNNXBMFYSA-N 2 0 293.455 1.709 10 0 CDAERP C[C@H](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)[NH+](C)C ZINC000912389308 629978678 /nfs/dbraw/zinc/97/86/78/629978678.db2.gz HBDSBKLHZWRADY-RDBSUJKOSA-N 2 0 267.417 1.460 10 0 CDAERP CC1CC[NH+](CC(=O)N2CCC(C)([NH+](C)C)CC2)CC1 ZINC000913395182 630466002 /nfs/dbraw/zinc/46/60/02/630466002.db2.gz WCCURHJZEUKTKJ-UHFFFAOYSA-N 2 0 281.444 1.661 10 0 CDAERP C([C@H]1CCC2(COC2)O1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000929685351 630706716 /nfs/dbraw/zinc/70/67/16/630706716.db2.gz ADLBHYGIUSPYJP-JKSUJKDBSA-N 2 0 294.439 1.885 10 0 CDAERP C([C@H]1CCC2(COC2)O1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000929696671 630708443 /nfs/dbraw/zinc/70/84/43/630708443.db2.gz NZOZDGZHSLKPQA-LSDHHAIUSA-N 2 0 280.412 1.352 10 0 CDAERP C[C@@H](C1CC1)[NH+]1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000930071384 632573838 /nfs/dbraw/zinc/57/38/38/632573838.db2.gz GQLDXQJVTCUICH-FZMZJTMJSA-N 2 0 265.401 1.199 10 0 CDAERP C[N@H+](CCN[C@@H]1CC[NH2+]C1(C)C)C1CCCCC1 ZINC000925480231 632777061 /nfs/dbraw/zinc/77/70/61/632777061.db2.gz JFUHFZTXXCBKJP-CQSZACIVSA-N 2 0 253.434 1.981 10 0 CDAERP COCCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001691069349 1158884332 /nfs/dbraw/zinc/88/43/32/1158884332.db2.gz JCWDZNGTHUNUDW-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CN(CC[NH2+]CCF)C(=O)c1sccc1C[NH+](C)C ZINC001691336171 1159023650 /nfs/dbraw/zinc/02/36/50/1159023650.db2.gz GUEZIAIHQBXBNR-UHFFFAOYSA-N 2 0 287.404 1.441 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCCF ZINC001671332768 1158615803 /nfs/dbraw/zinc/61/58/03/1158615803.db2.gz IBEHNWYBNJILOW-QWHCGFSZSA-N 2 0 271.380 1.021 10 0 CDAERP c1nc2n(n1)[C@H](C[N@@H+]1CCCC3(CC[NH2+]CC3)C1)CC2 ZINC001772531965 1158735369 /nfs/dbraw/zinc/73/53/69/1158735369.db2.gz SWGKEDTXEJDYFW-ZDUSSCGKSA-N 2 0 275.400 1.231 10 0 CDAERP CN(CC[NH2+]CC1CC(C)(C)C1)C(=O)C1([NH+](C)C)CCC1 ZINC001266724031 1158789970 /nfs/dbraw/zinc/78/99/70/1158789970.db2.gz AMBPKTPHXPJOSI-UHFFFAOYSA-N 2 0 295.471 1.955 10 0 CDAERP COCC[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@H]12 ZINC001410922469 1161962152 /nfs/dbraw/zinc/96/21/52/1161962152.db2.gz WORAEBUAPKXHBD-GOEBONIOSA-N 2 0 297.443 1.086 10 0 CDAERP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000816952876 1164174318 /nfs/dbraw/zinc/17/43/18/1164174318.db2.gz UQVWGOVCRMAVMR-HEHGZKQESA-N 2 0 297.418 1.361 10 0 CDAERP CC[C@@H]1CCN(C(=[NH2+])NC[C@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000864455064 1164545641 /nfs/dbraw/zinc/54/56/41/1164545641.db2.gz FNDOJTFHENNIEK-ZIAGYGMSSA-N 2 0 266.433 1.973 10 0 CDAERP [NH3+][C@H]1C[C@H](CNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000870972366 1165245084 /nfs/dbraw/zinc/24/50/84/1165245084.db2.gz ZCLDVOLYUXNBDI-CYDGBPFRSA-N 2 0 253.390 1.138 10 0 CDAERP C[C@@]1(c2nc(-c3ccn4c[nH+]cc4c3)no2)C[NH2+]CCO1 ZINC000872181726 1165391751 /nfs/dbraw/zinc/39/17/51/1165391751.db2.gz QHMYYNUHQZUCJA-AWEZNQCLSA-N 2 0 285.307 1.219 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC001617913223 1165613827 /nfs/dbraw/zinc/61/38/27/1165613827.db2.gz MIFFRIPXMHHNCF-KGLIPLIRSA-N 2 0 269.433 1.374 10 0 CDAERP O=C1[C@H]([N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)CCN1C1CC1 ZINC001645954173 1167587445 /nfs/dbraw/zinc/58/74/45/1167587445.db2.gz WFFOTXWATYMZFG-GOEBONIOSA-N 2 0 291.439 1.461 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCOC)C1 ZINC001566664652 1168027729 /nfs/dbraw/zinc/02/77/29/1168027729.db2.gz WAPSXGWBENNGNI-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001565833090 1168177464 /nfs/dbraw/zinc/17/74/64/1168177464.db2.gz KHWQHHXJTNHLKB-AWEZNQCLSA-N 2 0 267.417 1.271 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCCF)C1)[NH+](C)C ZINC001566811813 1168430447 /nfs/dbraw/zinc/43/04/47/1168430447.db2.gz YVHUDDJDXMHDOR-JHJVBQTASA-N 2 0 273.396 1.169 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCF ZINC001568282276 1169222289 /nfs/dbraw/zinc/22/22/89/1169222289.db2.gz GMBDTYHTSZCCEN-UONOGXRCSA-N 2 0 287.423 1.513 10 0 CDAERP C[C@H](C[NH2+]CCC1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001568294889 1169229403 /nfs/dbraw/zinc/22/94/03/1169229403.db2.gz JXDKIPZYAZGYPW-LZWOXQAQSA-N 2 0 295.471 1.953 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CC[C@@H]3C[NH+](C)C[C@@H]23)C1 ZINC001649359565 1169237632 /nfs/dbraw/zinc/23/76/32/1169237632.db2.gz LIABHCGADJYTRF-QKPAOTATSA-N 2 0 293.455 1.565 10 0 CDAERP CC[C@H](C)C[NH2+]C/C=C\CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001568851356 1169517953 /nfs/dbraw/zinc/51/79/53/1169517953.db2.gz BZSFUGNMMXHTCG-YMEQAZQUSA-N 2 0 293.455 1.636 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CCC[NH2+]CCF)C1 ZINC001569232471 1169729652 /nfs/dbraw/zinc/72/96/52/1169729652.db2.gz WZHPRSNBYFUMEK-AWEZNQCLSA-N 2 0 287.423 1.516 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1CC1 ZINC001569329629 1169768390 /nfs/dbraw/zinc/76/83/90/1169768390.db2.gz QUEMWQJOBYTZIS-OAHLLOKOSA-N 2 0 281.444 1.777 10 0 CDAERP CC(C)[NH2+]C1(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001569429733 1169877606 /nfs/dbraw/zinc/87/76/06/1169877606.db2.gz WQCCJMAYRDWLHS-AWEZNQCLSA-N 2 0 265.401 1.119 10 0 CDAERP CC(C)=CC[N@@H+](C)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001570733951 1170259727 /nfs/dbraw/zinc/25/97/27/1170259727.db2.gz KFOTZQLARVYRCU-CQSZACIVSA-N 2 0 281.444 1.731 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCCCCc1cc[nH+]c(N)c1 ZINC001654069420 1171592224 /nfs/dbraw/zinc/59/22/24/1171592224.db2.gz UEQPGZIZDJXHSC-UHFFFAOYSA-N 2 0 278.400 1.443 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)CC[N@@H+]1CCCOC ZINC001656764041 1171872303 /nfs/dbraw/zinc/87/23/03/1171872303.db2.gz ZGRAIFFEADJVRI-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP CCC(=O)NC1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001620583061 1172363040 /nfs/dbraw/zinc/36/30/40/1172363040.db2.gz YRROWFBWBQXKAS-CQSZACIVSA-N 2 0 267.417 1.461 10 0 CDAERP CC(C)CCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001663009787 1172627664 /nfs/dbraw/zinc/62/76/64/1172627664.db2.gz YFELZPCMHIOBDD-HUUCEWRRSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]Cc2ccns2)C1 ZINC001664186527 1172821081 /nfs/dbraw/zinc/82/10/81/1172821081.db2.gz OCGNHWXRCLGVIM-GFCCVEGCSA-N 2 0 296.440 1.033 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)NCC(C)(C)[NH+](C)C)C1 ZINC001586821047 1172961290 /nfs/dbraw/zinc/96/12/90/1172961290.db2.gz ZTOYWLHIPVMZPU-CYBMUJFWSA-N 2 0 269.433 1.563 10 0 CDAERP Cc1c(C(=O)NC/C=C/C[NH2+]C(C)C)ccc2c[nH+]cn21 ZINC001668900415 1173478188 /nfs/dbraw/zinc/47/81/88/1173478188.db2.gz YYAQNZVUKIURJW-SNAWJCMRSA-N 2 0 286.379 1.927 10 0 CDAERP CC[C@H](C(=O)NC/C=C/C[NH2+]CC1CCC1)[NH+](C)C ZINC001669146798 1173510573 /nfs/dbraw/zinc/51/05/73/1173510573.db2.gz XPAYYUWHDAFXRN-VBROQKIQSA-N 2 0 267.417 1.389 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001690738835 1175559845 /nfs/dbraw/zinc/55/98/45/1175559845.db2.gz DFWPVEHDIFFVFF-JKSUJKDBSA-N 2 0 293.455 1.733 10 0 CDAERP CCCCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001690756687 1175565023 /nfs/dbraw/zinc/56/50/23/1175565023.db2.gz XBOOOLXWTMCCFC-CABCVRRESA-N 2 0 281.444 1.566 10 0 CDAERP CCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001690843064 1175588498 /nfs/dbraw/zinc/58/84/98/1175588498.db2.gz LPAKWSZJTHJLML-GXTWGEPZSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@@H](C[NH2+]CC[C@H]1CCCCO1)N(C)C(=O)CC[NH+](C)C ZINC001698845418 1175960430 /nfs/dbraw/zinc/96/04/30/1175960430.db2.gz XXOHJYDLNWJNCR-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP COCC[NH2+]CC[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001698923854 1175984894 /nfs/dbraw/zinc/98/48/94/1175984894.db2.gz VOQVGNNFAZCFIB-HNNXBMFYSA-N 2 0 297.443 1.089 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc2ccsc2)C1 ZINC001699343009 1176272886 /nfs/dbraw/zinc/27/28/86/1176272886.db2.gz VOACNEVEEVSHQG-PYLYLYNFSA-N 2 0 293.436 1.462 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001699951193 1176694555 /nfs/dbraw/zinc/69/45/55/1176694555.db2.gz GGSXKGXMKPZSMI-HZPDHXFCSA-N 2 0 293.455 1.875 10 0 CDAERP CC[NH2+]CC[C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001700069026 1176738500 /nfs/dbraw/zinc/73/85/00/1176738500.db2.gz YQXAIPAVYVPMMZ-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP O=C(N1CC[C@@H](CC[NH2+]CCCF)C1)C12CC[NH+](CC1)C2 ZINC001700085686 1176742448 /nfs/dbraw/zinc/74/24/48/1176742448.db2.gz PGXUNCRWFNJCQC-CQSZACIVSA-N 2 0 297.418 1.270 10 0 CDAERP CCC[N@H+](C)CC(=O)NC1CC(C[NH2+]CC=C(C)C)C1 ZINC001700381600 1176886767 /nfs/dbraw/zinc/88/67/67/1176886767.db2.gz IDFVGRGDEVMSHY-UHFFFAOYSA-N 2 0 281.444 1.779 10 0 CDAERP CC[NH2+][C@H](C)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001700420337 1176918237 /nfs/dbraw/zinc/91/82/37/1176918237.db2.gz YFOUDBGFZSBDNP-NEPJUHHUSA-N 2 0 255.406 1.221 10 0 CDAERP CCOCC[N@H+](C)[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001700467124 1176958513 /nfs/dbraw/zinc/95/85/13/1176958513.db2.gz MNYUBIDCCCTLQE-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP CCCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CCO1 ZINC001700610521 1177036484 /nfs/dbraw/zinc/03/64/84/1177036484.db2.gz MHHMSYRJTOAUFP-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCCF ZINC001700780379 1177129596 /nfs/dbraw/zinc/12/95/96/1177129596.db2.gz KZCQVUKGYPAOBV-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP Cc1nocc1C[N@H+](C)CCCNC(=O)C[NH+]1CCCC1 ZINC001707421445 1178036583 /nfs/dbraw/zinc/03/65/83/1178036583.db2.gz PCNZBCKSUPQBQQ-UHFFFAOYSA-N 2 0 294.399 1.017 10 0 CDAERP CC[N@H+](C)CCCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001712990514 1178289872 /nfs/dbraw/zinc/28/98/72/1178289872.db2.gz BKAXVMWCCKIQRT-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CC/C=C/CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001713191718 1178422832 /nfs/dbraw/zinc/42/28/32/1178422832.db2.gz MJMUSDTXAGYONF-SGHXOQGUSA-N 2 0 293.455 1.920 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCCF)C1 ZINC001713366137 1178521980 /nfs/dbraw/zinc/52/19/80/1178521980.db2.gz WWYFYPYRWDZDFE-CABCVRRESA-N 2 0 299.434 1.659 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](C[NH2+]C/C=C/Cl)C2)C1 ZINC001714093058 1178968319 /nfs/dbraw/zinc/96/83/19/1178968319.db2.gz ATEMEBFQLMNZDK-PXHZSSHCSA-N 2 0 299.846 1.519 10 0 CDAERP CC(C)C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001714235531 1179038424 /nfs/dbraw/zinc/03/84/24/1179038424.db2.gz JYJYOIMWZYPLJR-ZIAGYGMSSA-N 2 0 269.433 1.610 10 0 CDAERP CCCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001714247182 1179045326 /nfs/dbraw/zinc/04/53/26/1179045326.db2.gz RHTXFGXAEOLWTB-QWHCGFSZSA-N 2 0 255.406 1.365 10 0 CDAERP CCCCC[NH2+][C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001714251358 1179048244 /nfs/dbraw/zinc/04/82/44/1179048244.db2.gz YNMYJWNHKMOHIQ-AWEZNQCLSA-N 2 0 281.444 1.899 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]C/C=C\Cl)C2)CC[N@@H+]1C ZINC001714347187 1179099254 /nfs/dbraw/zinc/09/92/54/1179099254.db2.gz UPUQYQUBIJOWJY-ZDOHQLQDSA-N 2 0 299.846 1.517 10 0 CDAERP CN(CC[NH2+]CCC(F)(F)F)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001714725192 1179358397 /nfs/dbraw/zinc/35/83/97/1179358397.db2.gz VWOTWZHRUNQXTP-LLVKDONJSA-N 2 0 295.349 1.471 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CC[NH2+]C[C@H](C)OC)C1 ZINC001714749845 1179374395 /nfs/dbraw/zinc/37/43/95/1179374395.db2.gz RDTBZPXJBJSVIY-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)CCC[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001714795428 1179401287 /nfs/dbraw/zinc/40/12/87/1179401287.db2.gz NWJMFPGVMXBORY-CQSZACIVSA-N 2 0 269.433 1.422 10 0 CDAERP CC/C=C/CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001714990737 1179494708 /nfs/dbraw/zinc/49/47/08/1179494708.db2.gz SXVVPCHEULUPGW-DKLOGILVSA-N 2 0 293.455 1.970 10 0 CDAERP C[C@@H](C[NH2+]CCC1CC1)N(C)C(=O)CC[NH+](C)C ZINC001715352675 1179638293 /nfs/dbraw/zinc/63/82/93/1179638293.db2.gz IOEXZSDIRZRSBB-LBPRGKRZSA-N 2 0 255.406 1.175 10 0 CDAERP CC(C)[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001715642970 1179749841 /nfs/dbraw/zinc/74/98/41/1179749841.db2.gz BKMPQOGRPOMBAU-KBPBESRZSA-N 2 0 269.433 1.752 10 0 CDAERP CC[C@@H](F)C[NH2+]CCN(CC)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001715765733 1179796236 /nfs/dbraw/zinc/79/62/36/1179796236.db2.gz AKZAYIOXFPMUQM-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP CC[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001715777041 1179800036 /nfs/dbraw/zinc/80/00/36/1179800036.db2.gz KCXOTFITDPVHEW-CYBMUJFWSA-N 2 0 255.406 1.319 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CCF ZINC001715824918 1179851728 /nfs/dbraw/zinc/85/17/28/1179851728.db2.gz NXOZXCUEHJIYBX-ITDFMYJTSA-N 2 0 271.380 1.092 10 0 CDAERP CC(C)(C(=O)NC/C=C/C[NH2+]CC1CCC1)[NH+]1CCCC1 ZINC001715851013 1179868304 /nfs/dbraw/zinc/86/83/04/1179868304.db2.gz GLJOCRLOLLYNAU-ONEGZZNKSA-N 2 0 293.455 1.923 10 0 CDAERP CC[C@H](C)C[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001716210193 1180102591 /nfs/dbraw/zinc/10/25/91/1180102591.db2.gz KADFSQQVJLBFMG-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP CCN(CC[NH2+]CCOC)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001716243352 1180116287 /nfs/dbraw/zinc/11/62/87/1180116287.db2.gz BAKKWCHCZPQVEW-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)C[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001716293542 1180146560 /nfs/dbraw/zinc/14/65/60/1180146560.db2.gz GXNXFMDZFCXQPL-IYKSTZQJSA-N 2 0 281.444 1.777 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001716410114 1180192535 /nfs/dbraw/zinc/19/25/35/1180192535.db2.gz KGNMJHAZHAUXGO-ILXRZTDVSA-N 2 0 283.460 1.857 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CCC[NH2+]CC)C1 ZINC001716562075 1180285210 /nfs/dbraw/zinc/28/52/10/1180285210.db2.gz YXYQVCSGWNSOGS-AWEZNQCLSA-N 2 0 269.433 1.566 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+]2CCCCCF)C1 ZINC001716670576 1180355512 /nfs/dbraw/zinc/35/55/12/1180355512.db2.gz FJCXZXSGYAJRGS-KGLIPLIRSA-N 2 0 285.407 1.268 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N[C@]2(C)CC[NH+](CCCCCF)C2)C1 ZINC001716852947 1180441264 /nfs/dbraw/zinc/44/12/64/1180441264.db2.gz QNSOJWPHSYVDAC-GDBMZVCRSA-N 2 0 299.434 1.659 10 0 CDAERP CCCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001717434233 1180669577 /nfs/dbraw/zinc/66/95/77/1180669577.db2.gz CZWWCJTWHBTZNZ-QWHCGFSZSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)=CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001717495673 1180711753 /nfs/dbraw/zinc/71/17/53/1180711753.db2.gz VVEFZJFHYQXVLJ-HUUCEWRRSA-N 2 0 283.460 1.975 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCCC1CCC1 ZINC001717754532 1180830991 /nfs/dbraw/zinc/83/09/91/1180830991.db2.gz OSGXYLKQMCDKFG-GOEBONIOSA-N 2 0 295.471 1.955 10 0 CDAERP COCCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001717954113 1180945201 /nfs/dbraw/zinc/94/52/01/1180945201.db2.gz CFVHTTDUDAQAAO-UONOGXRCSA-N 2 0 299.459 1.238 10 0 CDAERP CC[C@@H](F)C[N@H+]1CC=C(CNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001718023795 1180974419 /nfs/dbraw/zinc/97/44/19/1180974419.db2.gz JPHXMOVWWUMPBV-HUUCEWRRSA-N 2 0 299.434 1.823 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH2+]C[C@@H](C)OC)CC[N@@H+]1C ZINC001723022310 1181510761 /nfs/dbraw/zinc/51/07/61/1181510761.db2.gz HPPTUIYWAKWSSY-QLFBSQMISA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)OCC[NH2+][C@H](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001724543905 1181692902 /nfs/dbraw/zinc/69/29/02/1181692902.db2.gz HRYKRHWFLHKQFC-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)C(C)C ZINC001724648212 1181714026 /nfs/dbraw/zinc/71/40/26/1181714026.db2.gz JIBXWNKVHCCRAC-UONOGXRCSA-N 2 0 267.417 1.412 10 0 CDAERP CCCC[NH2+][C@]1(CO)CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001724906918 1181790698 /nfs/dbraw/zinc/79/06/98/1181790698.db2.gz DVAONJAOJTWZFZ-MRXNPFEDSA-N 2 0 299.459 1.071 10 0 CDAERP CC(C)[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001725360621 1181974090 /nfs/dbraw/zinc/97/40/90/1181974090.db2.gz PSRJPKAPPMUBOP-JOCQHMNTSA-N 2 0 267.417 1.364 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001725359281 1181972932 /nfs/dbraw/zinc/97/29/32/1181972932.db2.gz PXFDULFUPJJEQS-AJNGGQMLSA-N 2 0 299.434 1.703 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CCCOC)CC[N@@H+]1C ZINC001725489268 1182022058 /nfs/dbraw/zinc/02/20/58/1182022058.db2.gz KDRVLMRKLDSSMB-SOUVJXGZSA-N 2 0 299.459 1.190 10 0 CDAERP COCCC[NH2+]CCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001731962630 1182702627 /nfs/dbraw/zinc/70/26/27/1182702627.db2.gz YQLPGRZQRZQAJH-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCCCF ZINC001732031972 1182730569 /nfs/dbraw/zinc/73/05/69/1182730569.db2.gz FFMMXEKXUKCLQA-GASCZTMLSA-N 2 0 299.434 1.753 10 0 CDAERP CC(C)OCC[NH2+]C[C@H](C)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001732447147 1182970939 /nfs/dbraw/zinc/97/09/39/1182970939.db2.gz DMFPHCZUHPDVBO-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001732908959 1183181318 /nfs/dbraw/zinc/18/13/18/1183181318.db2.gz JJDXOZYEZGXORG-RYIMYRPNSA-N 2 0 279.428 1.675 10 0 CDAERP CCOCC[NH2+]C[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001733018806 1183240153 /nfs/dbraw/zinc/24/01/53/1183240153.db2.gz UKNZDYMNRAZKNO-AWEZNQCLSA-N 2 0 299.459 1.238 10 0 CDAERP CCC/C=C/CC[NH2+]C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001733019882 1183241136 /nfs/dbraw/zinc/24/11/36/1183241136.db2.gz LCWFUFGIWWHDLO-NFAHFFEMSA-N 2 0 293.455 1.923 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C[NH2+]CC1CC1)C1CC1)[NH+](C)C ZINC001733187464 1183323657 /nfs/dbraw/zinc/32/36/57/1183323657.db2.gz NSEWNLVYJTXWPA-UONOGXRCSA-N 2 0 267.417 1.221 10 0 CDAERP Cc1nc[nH]c1CC(=O)N(C)CC(C)(C)C[NH2+]CCF ZINC001734023461 1183616405 /nfs/dbraw/zinc/61/64/05/1183616405.db2.gz LQLZBZWGFNORES-UHFFFAOYSA-N 2 0 284.379 1.304 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC)C1 ZINC001734339428 1183738830 /nfs/dbraw/zinc/73/88/30/1183738830.db2.gz NHODAFAAJOBRCG-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H]1C ZINC001734399734 1183762840 /nfs/dbraw/zinc/76/28/40/1183762840.db2.gz OUVFZQBPEFSXCH-KGLIPLIRSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]1C ZINC001734410335 1183767753 /nfs/dbraw/zinc/76/77/53/1183767753.db2.gz UQJFFGJPVVXVGQ-CHWSQXEVSA-N 2 0 255.406 1.314 10 0 CDAERP CC(C)[C@H](C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1)[C@@H](C)[NH3+] ZINC000870994753 790269105 /nfs/dbraw/zinc/26/91/05/790269105.db2.gz UTSBGMVTIAGCCB-WWGRRREGSA-N 2 0 283.460 1.829 10 0 CDAERP COc1ccc([C@@H](C[NH3+])CN2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1 ZINC000872154543 790284457 /nfs/dbraw/zinc/28/44/57/790284457.db2.gz SHXFEDBCPKOTKL-YQQAZPJKSA-N 2 0 289.423 1.279 10 0 CDAERP [NH3+]CCCCCC[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000846219905 790303393 /nfs/dbraw/zinc/30/33/93/790303393.db2.gz BPEBAODTPCVZJK-MRXNPFEDSA-N 2 0 283.460 1.692 10 0 CDAERP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+]2CC)C1 ZINC001620492641 1165655083 /nfs/dbraw/zinc/65/50/83/1165655083.db2.gz VUDSIHZWQPTQQN-KBPBESRZSA-N 2 0 267.417 1.271 10 0 CDAERP NC(=O)C1([NH2+]CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCCC1 ZINC000923317221 790366235 /nfs/dbraw/zinc/36/62/35/790366235.db2.gz CCAXSZCGFBGMNW-AGUYFDCRSA-N 2 0 279.428 1.685 10 0 CDAERP CC(C)(CN[C@H]1CC[NH2+]C12CCC2)C[NH+]1CCCC1 ZINC000925651254 790384395 /nfs/dbraw/zinc/38/43/95/790384395.db2.gz YYPJWKNSWLKADY-AWEZNQCLSA-N 2 0 265.445 1.983 10 0 CDAERP Cn1c(Cl)cnc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000799334731 790460454 /nfs/dbraw/zinc/46/04/54/790460454.db2.gz ZEMHTJUELDKIMK-UHFFFAOYSA-N 2 0 286.807 1.276 10 0 CDAERP CC(C)OC[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000872203070 790527741 /nfs/dbraw/zinc/52/77/41/790527741.db2.gz URVDOJSQKNVTBP-MCIONIFRSA-N 2 0 258.406 1.235 10 0 CDAERP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866708315 790822954 /nfs/dbraw/zinc/82/29/54/790822954.db2.gz ZJNPEWISWKRWPE-CZUORRHYSA-N 2 0 283.460 1.939 10 0 CDAERP C[NH+](C)CC[C@H](N[C@@H]1CC[NH2+]C1(C)C)c1cccnc1 ZINC000925828490 790872882 /nfs/dbraw/zinc/87/28/82/790872882.db2.gz XXGHUPZCYORSIH-LSDHHAIUSA-N 2 0 276.428 1.805 10 0 CDAERP O[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000923413049 790894082 /nfs/dbraw/zinc/89/40/82/790894082.db2.gz BCMGSVBMMQJXTG-BBWFWOEESA-N 2 0 274.408 1.664 10 0 CDAERP CC[N@H+](CCN1CCCC1)C[C@H]1CC[C@@H]([NH3+])CC1 ZINC000244873356 790899385 /nfs/dbraw/zinc/89/93/85/790899385.db2.gz WOTMVPQFCSFPBW-GASCZTMLSA-N 2 0 253.434 1.922 10 0 CDAERP C([NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)C1CC[NH2+]CC1 ZINC000723648980 790957839 /nfs/dbraw/zinc/95/78/39/790957839.db2.gz XRQYJGOLFZNLQK-RBSFLKMASA-N 2 0 252.402 1.781 10 0 CDAERP CO[C@@H]1CC[C@H](C)[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000866685017 791060376 /nfs/dbraw/zinc/06/03/76/791060376.db2.gz AERKNLJYFXEESZ-ORQFMDKSSA-N 2 0 292.423 1.417 10 0 CDAERP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H]2CCOC23CCOCC3)C1 ZINC000926574043 791097016 /nfs/dbraw/zinc/09/70/16/791097016.db2.gz TZIWUHQEAPFQJM-GJZGRUSLSA-N 2 0 282.428 1.646 10 0 CDAERP CCCn1cc(C[NH2+]CC2CC[NH+](CCC)CC2)nn1 ZINC000865451151 791104920 /nfs/dbraw/zinc/10/49/20/791104920.db2.gz JREATHHRPRVKGE-UHFFFAOYSA-N 2 0 279.432 1.900 10 0 CDAERP Cc1cc([C@@H](C)[NH2+]CCCCCN2CC[NH2+]CC2)n(C)n1 ZINC000925847909 791106990 /nfs/dbraw/zinc/10/69/90/791106990.db2.gz WNQIOKRWWADYHX-OAHLLOKOSA-N 2 0 293.459 1.455 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC000925609537 791123172 /nfs/dbraw/zinc/12/31/72/791123172.db2.gz VTABFUZISFLJKT-BZUAXINKSA-N 3 0 297.487 1.719 10 0 CDAERP C[C@@H]1C[C@H](C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C[C@H](C)O1 ZINC000931065897 791131712 /nfs/dbraw/zinc/13/17/12/791131712.db2.gz MCHVZAHZHLKOPN-WBTNSWJXSA-N 2 0 296.455 1.721 10 0 CDAERP C[C@H]1C[N@H+](CC(=O)NCc2ccc(F)cc2)CC[C@@H]1C[NH3+] ZINC000923502937 789872433 /nfs/dbraw/zinc/87/24/33/789872433.db2.gz FFLNTSBDTCVYHD-GXTWGEPZSA-N 2 0 293.386 1.359 10 0 CDAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1ccncc1)CC2 ZINC000923450024 789873087 /nfs/dbraw/zinc/87/30/87/789873087.db2.gz DQNVDRMTBFLYME-AWEZNQCLSA-N 2 0 261.369 1.411 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@]1(C(F)(F)F)CCCN1 ZINC000925855040 789876085 /nfs/dbraw/zinc/87/60/85/789876085.db2.gz NPIXMSKGQBKPIX-LPEHRKFASA-N 2 0 253.312 1.386 10 0 CDAERP C[NH+]1CCC(C[NH2+][C@@H]2CCCN3CCSC[C@H]23)CC1 ZINC000718457152 789943045 /nfs/dbraw/zinc/94/30/45/789943045.db2.gz LTFAAIXDKZRFNK-HUUCEWRRSA-N 2 0 283.485 1.498 10 0 CDAERP c1[nH+]cn2ccc(-c3noc(C4CC[NH2+]CC4)n3)cc12 ZINC000843227036 789955137 /nfs/dbraw/zinc/95/51/37/789955137.db2.gz PXMPJHLWUIIURV-UHFFFAOYSA-N 2 0 269.308 1.851 10 0 CDAERP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000923316213 789982172 /nfs/dbraw/zinc/98/21/72/789982172.db2.gz FCYHQHSJJMLJBR-MJBXVCDLSA-N 2 0 282.453 1.725 10 0 CDAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@H]1CCCC[NH2+]C1 ZINC000700295455 789988310 /nfs/dbraw/zinc/98/83/10/789988310.db2.gz KJOOGVBXNDUUNG-XHSDSOJGSA-N 2 0 265.445 1.935 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000863544213 790017556 /nfs/dbraw/zinc/01/75/56/790017556.db2.gz NMWVANXRUTZTCV-UTUOFQBUSA-N 2 0 276.471 1.192 10 0 CDAERP C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1cn(C)nn1 ZINC000715923871 790034717 /nfs/dbraw/zinc/03/47/17/790034717.db2.gz SZTFHMKPHLSYQY-LKSINWNRSA-N 2 0 265.405 1.729 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCCCC[NH3+] ZINC000246552955 790043214 /nfs/dbraw/zinc/04/32/14/790043214.db2.gz RAZCWPLYDRBLKJ-OLZOCXBDSA-N 2 0 253.390 1.201 10 0 CDAERP C[C@@H](CNC(=[NH2+])NC1CCCCC1)[N@H+](C)C1CC1 ZINC000221887406 790043875 /nfs/dbraw/zinc/04/38/75/790043875.db2.gz OZGXULWHWHBSQB-NSHDSACASA-N 2 0 252.406 1.916 10 0 CDAERP NC(=O)CC[C@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923309224 790052298 /nfs/dbraw/zinc/05/22/98/790052298.db2.gz NTTAEDDYYWKKQC-GFCCVEGCSA-N 2 0 253.390 1.106 10 0 CDAERP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C(C)(C)CO ZINC000925554453 790066217 /nfs/dbraw/zinc/06/62/17/790066217.db2.gz AMWKYCKVNQTDLU-BPUTZDHNSA-N 2 0 298.471 1.751 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)CCCCC[NH3+])[C@@H](C)C1 ZINC000249054783 790151834 /nfs/dbraw/zinc/15/18/34/790151834.db2.gz DCFDGTFVTIGQRQ-UONOGXRCSA-N 2 0 269.433 1.694 10 0 CDAERP CC(C)(C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)N1CCOCC1 ZINC000925502156 790213092 /nfs/dbraw/zinc/21/30/92/790213092.db2.gz GACXJBKIXQRJML-QLFBSQMISA-N 2 0 295.471 1.463 10 0 CDAERP CC[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)[C@@H]1CCCOC1 ZINC000872024238 790222664 /nfs/dbraw/zinc/22/26/64/790222664.db2.gz ZIDHQSNMEKCVNL-SJORKVTESA-N 2 0 297.487 1.809 10 0 CDAERP CCC1([NH3+])CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000714754169 790255895 /nfs/dbraw/zinc/25/58/95/790255895.db2.gz NZXKIUJHLZEWPS-UHFFFAOYSA-N 2 0 261.369 1.489 10 0 CDAERP C[C@H](CN[C@@H]1CC[NH2+]C12CCCC2)[N@H+](C)C1CC1 ZINC000925492002 791185339 /nfs/dbraw/zinc/18/53/39/791185339.db2.gz GQWFQKWZGFIMIG-TZMCWYRMSA-N 2 0 251.418 1.733 10 0 CDAERP CC1(C)CC[C@@H](CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)[NH2+]C1 ZINC000872308871 791238848 /nfs/dbraw/zinc/23/88/48/791238848.db2.gz KVOQEAXQXTWAJU-YXMPFFBPSA-N 2 0 265.401 1.008 10 0 CDAERP C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)[C@@H]1CC1(C)C ZINC000925853517 791248929 /nfs/dbraw/zinc/24/89/29/791248929.db2.gz ZLFHODAHAIYWKW-XQQFMLRXSA-N 2 0 280.412 1.696 10 0 CDAERP COCC[N@H+](CC1CC[NH2+]CC1)CC1CC[NH+](C)CC1 ZINC000866673051 791269791 /nfs/dbraw/zinc/26/97/91/791269791.db2.gz QHLHYNHYWGGBDW-UHFFFAOYSA-N 3 0 283.460 1.276 10 0 CDAERP CCOCC[C@@H](O)C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000872228269 791295218 /nfs/dbraw/zinc/29/52/18/791295218.db2.gz GRKJBOOJLUTTMJ-SHARSMKWSA-N 2 0 272.433 1.626 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H](CO)CC(F)F)C1 ZINC000925651694 791324521 /nfs/dbraw/zinc/32/45/21/791324521.db2.gz JGDAFWOAOUVDKD-OPRDCNLKSA-N 2 0 250.333 1.498 10 0 CDAERP CN(C(=O)[C@H]1CC[C@H]([NH3+])CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000870923095 791391698 /nfs/dbraw/zinc/39/16/98/791391698.db2.gz XSFSVKONUDMTDV-OBJOEFQTSA-N 2 0 265.401 1.199 10 0 CDAERP CCCCOC[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709869960 791424959 /nfs/dbraw/zinc/42/49/59/791424959.db2.gz ZJGZAIILEPBXKI-GJZGRUSLSA-N 2 0 270.417 1.240 10 0 CDAERP CC(C)[C@](C)(O)C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925610690 791438999 /nfs/dbraw/zinc/43/89/99/791438999.db2.gz GYFWMUGZQSHTIA-UKTARXLSSA-N 2 0 254.418 1.760 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CCN(c2ccccc2)CC1 ZINC000111273073 791510374 /nfs/dbraw/zinc/51/03/74/791510374.db2.gz XWIPMTWTLOWXCL-CABCVRRESA-N 2 0 259.397 1.664 10 0 CDAERP c1ccc2c(c1)OC[C@H](C[NH2+][C@H]1CCC[NH2+]CC1)O2 ZINC000128902175 791525971 /nfs/dbraw/zinc/52/59/71/791525971.db2.gz IMRMRYFCGYEPQP-STQMWFEESA-N 2 0 262.353 1.558 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000925720154 791542209 /nfs/dbraw/zinc/54/22/09/791542209.db2.gz XECCMEBWNQXWGF-DMFQKCBSSA-N 2 0 250.386 1.659 10 0 CDAERP COC[C@@H](C[N@@H+]1CCC2(C1)CC[NH2+]CC2)C(C)C ZINC000721784270 791640159 /nfs/dbraw/zinc/64/01/59/791640159.db2.gz XSKUFSWRRGTVRN-CQSZACIVSA-N 2 0 254.418 1.981 10 0 CDAERP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925700199 791672795 /nfs/dbraw/zinc/67/27/95/791672795.db2.gz NKSNFHWAWUUOER-MGPQQGTHSA-N 2 0 251.418 1.626 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@@H]1C[C@@H]3CCC[C@H]3O1)C2 ZINC000720788411 791722880 /nfs/dbraw/zinc/72/28/80/791722880.db2.gz KVFCUHWLSFUYEH-RODWMJHOSA-N 2 0 250.386 1.756 10 0 CDAERP CN1C[C@H](CC[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC1=O ZINC000723545012 791823560 /nfs/dbraw/zinc/82/35/60/791823560.db2.gz IGXXKQXSXSQXPQ-RJZRQDKASA-N 2 0 279.428 1.221 10 0 CDAERP C[C@@H](CCNC(=[NH2+])N[C@@H]1C[C@H]1C)[NH+]1CCCCC1 ZINC000864462624 791868497 /nfs/dbraw/zinc/86/84/97/791868497.db2.gz NXYNDQJCPKHFKN-FRRDWIJNSA-N 2 0 252.406 1.773 10 0 CDAERP CC[NH+](CC)CCC[N@@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000933762078 791879650 /nfs/dbraw/zinc/87/96/50/791879650.db2.gz OWZCUFYWQSXPBA-ZFWWWQNUSA-N 2 0 267.417 1.306 10 0 CDAERP CC[NH2+]CCCN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925696151 791901117 /nfs/dbraw/zinc/90/11/17/791901117.db2.gz ZWVCAXFQWJNQOL-LSDHHAIUSA-N 2 0 253.434 1.744 10 0 CDAERP Cc1cc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)n(C)n1 ZINC000848556760 792002752 /nfs/dbraw/zinc/00/27/52/792002752.db2.gz CHBHCWDQWMMSGX-UPJWGTAASA-N 2 0 250.390 1.719 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000713425459 792028233 /nfs/dbraw/zinc/02/82/33/792028233.db2.gz QBWFJPWMYSKCAQ-OSFYFWSMSA-N 2 0 265.401 1.057 10 0 CDAERP [NH3+]CCCCCC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000825546731 792308122 /nfs/dbraw/zinc/30/81/22/792308122.db2.gz AALQCFDSTPYYLF-ZIAGYGMSSA-N 2 0 267.417 1.496 10 0 CDAERP COc1ccccc1[C@H](O)C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925494648 792334990 /nfs/dbraw/zinc/33/49/90/792334990.db2.gz ORAQYWNIWOJGGV-YUELXQCFSA-N 2 0 276.380 1.588 10 0 CDAERP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712608659 792349787 /nfs/dbraw/zinc/34/97/87/792349787.db2.gz KTHZIVDDRIDWIK-STQMWFEESA-N 2 0 267.417 1.317 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC000896851218 792351000 /nfs/dbraw/zinc/35/10/00/792351000.db2.gz WDDVZKCYYPQONF-YCPHGPKFSA-N 2 0 279.428 1.461 10 0 CDAERP [NH3+]CCC[N@H+](CCO[C@@H]1CCOC1)Cc1ccccc1 ZINC000724938071 792378909 /nfs/dbraw/zinc/37/89/09/792378909.db2.gz XTZWOLVBBAOICJ-MRXNPFEDSA-N 2 0 278.396 1.643 10 0 CDAERP Cc1csc([C@@H]2CC[N@H+](CCOCC[NH3+])C2)n1 ZINC000872148193 792653661 /nfs/dbraw/zinc/65/36/61/792653661.db2.gz OCEMSKUHWNTUES-LLVKDONJSA-N 2 0 255.387 1.216 10 0 CDAERP [NH3+]C1CCC([NH2+]C[C@H]2COc3ccccc3O2)CC1 ZINC000094075062 792671702 /nfs/dbraw/zinc/67/17/02/792671702.db2.gz XZUDNHPPIBNHEP-BPCQOVAHSA-N 2 0 262.353 1.686 10 0 CDAERP Cc1nsc(C)c1C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931480396 792727187 /nfs/dbraw/zinc/72/71/87/792727187.db2.gz BDXYFDXIWHZXQK-UHFFFAOYSA-N 2 0 283.441 1.648 10 0 CDAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000714248101 792778471 /nfs/dbraw/zinc/77/84/71/792778471.db2.gz WTECXLCFBRPJMC-AAVRWANBSA-N 2 0 288.457 1.462 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)CC[NH2+]CC2CC2)C1 ZINC000870988087 792807124 /nfs/dbraw/zinc/80/71/24/792807124.db2.gz GANNBPFIEUFQRP-MRXNPFEDSA-N 2 0 281.444 1.600 10 0 CDAERP C[C@@H]([NH3+])CN(C)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000861641929 792856195 /nfs/dbraw/zinc/85/61/95/792856195.db2.gz QFTNRKCQRUGXAB-GHMZBOCLSA-N 2 0 264.373 1.195 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](O)c1cc(C)cc(C)c1 ZINC000817930103 792869153 /nfs/dbraw/zinc/86/91/53/792869153.db2.gz MRVHDNHAHYNTGQ-HZPDHXFCSA-N 2 0 280.412 1.680 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000861564588 792893713 /nfs/dbraw/zinc/89/37/13/792893713.db2.gz MWMITKCWYQUHAD-MELADBBJSA-N 2 0 282.432 1.301 10 0 CDAERP C[NH+]1CCN(CCC[NH2+][C@H]2CCCC3(CC3)C2)CC1 ZINC000708558282 792902327 /nfs/dbraw/zinc/90/23/27/792902327.db2.gz DKXKEKCZRHXDEH-HNNXBMFYSA-N 2 0 265.445 1.936 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000925803962 792963385 /nfs/dbraw/zinc/96/33/85/792963385.db2.gz BGUJQZQIGRMGCW-SAAWNECCSA-N 2 0 252.402 1.765 10 0 CDAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](C[C@H]1CC3(CCC3)CO1)CC2 ZINC000923443544 792992562 /nfs/dbraw/zinc/99/25/62/792992562.db2.gz FOGRCQMBIHRPHL-HUUCEWRRSA-N 2 0 294.439 1.775 10 0 CDAERP CC[C@@H]1CCN(C(=[NH2+])NC[C@@H](C)[NH+]2CCCC2)C1 ZINC000864453872 793007192 /nfs/dbraw/zinc/00/71/92/793007192.db2.gz QMUYTGRZEZDXSS-CHWSQXEVSA-N 2 0 252.406 1.727 10 0 CDAERP CN1C(=O)c2ccccc2[C@@H]1C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925716113 793013640 /nfs/dbraw/zinc/01/36/40/793013640.db2.gz BBHZUBJQUPRCIT-ZNMIVQPWSA-N 2 0 285.391 1.673 10 0 CDAERP C[C@H](CCC(F)(F)F)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925809847 793069188 /nfs/dbraw/zinc/06/91/88/793069188.db2.gz AWCXUUJCJSLPOO-SNVBAGLBSA-N 2 0 267.339 1.730 10 0 CDAERP Cc1cccc([C@H](C)[NH2+]CC(=O)NC2CC[NH+](C)CC2)c1 ZINC000878693738 793090168 /nfs/dbraw/zinc/09/01/68/793090168.db2.gz YLSIXCKJLHYJLU-AWEZNQCLSA-N 2 0 289.423 1.856 10 0 CDAERP OC1CC(CC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925653832 793091091 /nfs/dbraw/zinc/09/10/91/793091091.db2.gz ZYACPNLUWBILJL-GDVJOBBMSA-N 2 0 266.429 1.905 10 0 CDAERP C[N@H+](CCCCCC[NH3+])CC(=O)NCC1CCC1 ZINC000872155320 793097700 /nfs/dbraw/zinc/09/77/00/793097700.db2.gz HZIXCOZHMIOTAK-UHFFFAOYSA-N 2 0 255.406 1.354 10 0 CDAERP CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925851004 793111810 /nfs/dbraw/zinc/11/18/10/793111810.db2.gz AZIIGGJMJJLZSO-YNEHKIRRSA-N 2 0 268.401 1.696 10 0 CDAERP CC(C)C[NH+]1CCC([NH2+]C2CCC([NH3+])CC2)CC1 ZINC000232602625 793204261 /nfs/dbraw/zinc/20/42/61/793204261.db2.gz QYASBDIFPCKTJX-UHFFFAOYSA-N 3 0 253.434 1.966 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000925720838 793306897 /nfs/dbraw/zinc/30/68/97/793306897.db2.gz VBCWTLNMWMMAQL-SBJFKYEJSA-N 2 0 252.402 1.922 10 0 CDAERP O=[S@](CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)CC(F)(F)F ZINC000850349747 793314416 /nfs/dbraw/zinc/31/44/16/793314416.db2.gz JMWCYRRAPMRKGZ-ZDCWMAILSA-N 2 0 298.374 1.514 10 0 CDAERP CC[N@@H+]1CC[C@@H](CN[C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000925472272 793381297 /nfs/dbraw/zinc/38/12/97/793381297.db2.gz CUAXSPOKBBYTPP-XGUBFFRZSA-N 3 0 265.445 1.694 10 0 CDAERP C[C@@H]1CCN[C@H](C)[C@@H]1[NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923371252 793395394 /nfs/dbraw/zinc/39/53/94/793395394.db2.gz WNEYKMXFNSEXAG-WOONOFOCSA-N 2 0 265.445 1.883 10 0 CDAERP Cc1nc(CNC(C[NH3+])C[NH3+])sc1C(C)(C)C ZINC000923356493 793395474 /nfs/dbraw/zinc/39/54/74/793395474.db2.gz MIZCZGFFCUDUOB-UHFFFAOYSA-N 2 0 256.419 1.125 10 0 CDAERP COCC1(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CCOCC1 ZINC000925673447 793489827 /nfs/dbraw/zinc/48/98/27/793489827.db2.gz NNWLQSYIFABYTP-UONOGXRCSA-N 2 0 284.444 1.925 10 0 CDAERP C[C@H](COCC(F)(F)F)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925600092 793501431 /nfs/dbraw/zinc/50/14/31/793501431.db2.gz DOCHPAMSUNRMNI-BBBLOLIVSA-N 2 0 266.307 1.813 10 0 CDAERP CC1(C)[C@H]([NH2+]CCCN2CCOC2=O)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925479770 793516079 /nfs/dbraw/zinc/51/60/79/793516079.db2.gz SPUJWEBLIYPZEP-FRRDWIJNSA-N 2 0 281.400 1.195 10 0 CDAERP COc1ccc([C@H](CO)C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925684720 793562566 /nfs/dbraw/zinc/56/25/66/793562566.db2.gz CNYYCXHTEARLQV-IMJJTQAJSA-N 2 0 290.407 1.631 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](C)C(C)(C)CC2)CC[N@@H+]1C ZINC000864064023 793639967 /nfs/dbraw/zinc/63/99/67/793639967.db2.gz YHJJZFHINKZWGP-UONOGXRCSA-N 2 0 281.444 1.659 10 0 CDAERP OC1CC(CC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925653834 793730972 /nfs/dbraw/zinc/73/09/72/793730972.db2.gz ZYACPNLUWBILJL-UAOKOLBASA-N 2 0 266.429 1.905 10 0 CDAERP CC1(C)[NH2+]CC[C@H]1NCc1cccc2c1CCOC2 ZINC000925722896 793752305 /nfs/dbraw/zinc/75/23/05/793752305.db2.gz OWWNNNNGVZKCOH-OAHLLOKOSA-N 2 0 260.381 1.989 10 0 CDAERP CN1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCC1CC[NH2+]CC1 ZINC000720902124 793856989 /nfs/dbraw/zinc/85/69/89/793856989.db2.gz UGTZKQACXDSAPN-JKSUJKDBSA-N 2 0 265.445 1.935 10 0 CDAERP Cc1ccc(C[C@H](CO)[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925644286 793880094 /nfs/dbraw/zinc/88/00/94/793880094.db2.gz JJHRYQKMPWWJAE-OAGGEKHMSA-N 2 0 274.408 1.758 10 0 CDAERP C[N@H+](CCCC[NH2+]C1[C@@H]2CC[C@H]1C[NH+](C)C2)C1CC1 ZINC000926557587 793892956 /nfs/dbraw/zinc/89/29/56/793892956.db2.gz CVGJUVGZGVKAFZ-MZBDJJRSSA-N 2 0 265.445 1.791 10 0 CDAERP C[N@H+](CCCCCC[NH3+])Cc1cn2cccnc2n1 ZINC000710806084 793896419 /nfs/dbraw/zinc/89/64/19/793896419.db2.gz XVZVDNJIRBSSIK-UHFFFAOYSA-N 2 0 261.373 1.680 10 0 CDAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCc2nnn(C)c2C1 ZINC000925892822 793901837 /nfs/dbraw/zinc/90/18/37/793901837.db2.gz FTOODXRBWQUEFH-MGPQQGTHSA-N 2 0 291.443 1.573 10 0 CDAERP CNC(=O)CCC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925599593 794017278 /nfs/dbraw/zinc/01/72/78/794017278.db2.gz CAQMHQIQGNZALU-KBPBESRZSA-N 2 0 267.417 1.271 10 0 CDAERP C[NH2+][C@H](C)Cc1noc(/C=C\[C@H]2CCC[NH2+]C2)n1 ZINC000871788407 794052482 /nfs/dbraw/zinc/05/24/82/794052482.db2.gz KJZLRWAIFKJKPK-ADRPCIBZSA-N 2 0 250.346 1.233 10 0 CDAERP CCc1nnc([C@H](C)[N@@H+]2CCC3(C2)CC[NH2+]CC3)[nH]1 ZINC000852745905 794054181 /nfs/dbraw/zinc/05/41/81/794054181.db2.gz AFFHGWOVUAOZQU-NSHDSACASA-N 2 0 263.389 1.504 10 0 CDAERP CC1(C)[C@@H]([NH2+]CCCOC[C@H]2CCOC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925523296 794079284 /nfs/dbraw/zinc/07/92/84/794079284.db2.gz RVOZRIVLOATJKA-WCVJEAGWSA-N 2 0 296.455 1.796 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CC(C)(C)O)C1 ZINC000872204698 794089475 /nfs/dbraw/zinc/08/94/75/794089475.db2.gz BSDXXXAYQLZMAA-CABCVRRESA-N 2 0 286.460 1.466 10 0 CDAERP CC(C)[NH2+]C1(CO)CCN(CCCc2cccnc2)CC1 ZINC000930613785 794135009 /nfs/dbraw/zinc/13/50/09/794135009.db2.gz NSGYOHGSPQWLLL-UHFFFAOYSA-N 2 0 291.439 1.839 10 0 CDAERP C[C@@H]1[NH2+]CCC[C@H]1N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000925827136 794261096 /nfs/dbraw/zinc/26/10/96/794261096.db2.gz MFIABDJQTPRWKC-IMJJTQAJSA-N 2 0 276.428 1.805 10 0 CDAERP C/C=C/C=C/C(=O)NCCN(C)CCC[NH+](C)C ZINC000855416143 794290695 /nfs/dbraw/zinc/29/06/95/794290695.db2.gz HNWLQKZJUOZIPO-SBIWHPGTSA-N 2 0 253.390 1.118 10 0 CDAERP COC(=O)/C=C\c1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)o1 ZINC000848923108 794327657 /nfs/dbraw/zinc/32/76/57/794327657.db2.gz GGPYQZOKUBXIDS-QBJDSTOHSA-N 2 0 292.379 1.896 10 0 CDAERP CCC[C@H](C)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925855508 794346433 /nfs/dbraw/zinc/34/64/33/794346433.db2.gz PLLXFTOJJGUVLI-RYUDHWBXSA-N 2 0 254.374 1.450 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]([NH3+])CC1CC1 ZINC000310776736 794386092 /nfs/dbraw/zinc/38/60/92/794386092.db2.gz VXVJPVFYXYSEIQ-CHWSQXEVSA-N 2 0 255.406 1.206 10 0 CDAERP C[C@H](CNC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1)[NH+](C)C1CC1 ZINC000868372480 794504387 /nfs/dbraw/zinc/50/43/87/794504387.db2.gz WGAPMGHENQKZIA-NFAWXSAZSA-N 2 0 294.443 1.205 10 0 CDAERP CC(C)(O)C[C@H](O)C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000872207592 794508955 /nfs/dbraw/zinc/50/89/55/794508955.db2.gz UEOSGFRBCNJNJC-ZDUSSCGKSA-N 2 0 272.433 1.220 10 0 CDAERP Cc1noc([C@@H]2OCC[C@@H]2[NH2+]CCCCCCC[NH3+])n1 ZINC000863572120 794513280 /nfs/dbraw/zinc/51/32/80/794513280.db2.gz KEKBMZYRZRPCFF-QWHCGFSZSA-N 2 0 282.388 1.707 10 0 CDAERP CO[C@@H]1COCC[C@H]1[N@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923428394 794603120 /nfs/dbraw/zinc/60/31/20/794603120.db2.gz YBZGBFXFHARWBE-WFDRTZIDSA-N 2 0 282.428 1.643 10 0 CDAERP CC[C@@H](C)NC(=O)CC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925483228 794638068 /nfs/dbraw/zinc/63/80/68/794638068.db2.gz XIPJDBNBBSPPEF-RJZRQDKASA-N 2 0 281.444 1.657 10 0 CDAERP CCC(CC)[C@@H](CNC1=[NH+]CCCCN1)[NH+](C)C ZINC000849214985 794772156 /nfs/dbraw/zinc/77/21/56/794772156.db2.gz HHMLRAUOCVQMBG-CYBMUJFWSA-N 2 0 254.422 1.682 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCOC[C@H]1C(C)C ZINC000926150026 794814474 /nfs/dbraw/zinc/81/44/74/794814474.db2.gz ICTYWKMURINAJZ-JKSUJKDBSA-N 2 0 286.460 1.996 10 0 CDAERP C[N@H+](CCCCCC[NH3+])Cc1cc(=O)n2ccccc2n1 ZINC000872154814 794828995 /nfs/dbraw/zinc/82/89/95/794828995.db2.gz BMRASBLUIULSFH-UHFFFAOYSA-N 2 0 288.395 1.645 10 0 CDAERP CCO[C@@H]1C[N@H+](C[C@H](O)CCc2ccccc2)C[C@H]1C[NH3+] ZINC000923389313 794858164 /nfs/dbraw/zinc/85/81/64/794858164.db2.gz VWGNNULVDPWJEO-BRWVUGGUSA-N 2 0 292.423 1.276 10 0 CDAERP CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923498219 794886038 /nfs/dbraw/zinc/88/60/38/794886038.db2.gz KCPGNSZUBJKMBA-CYDGBPFRSA-N 2 0 255.406 1.206 10 0 CDAERP C[C@H](CC[NH+](C)C)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848927732 794888622 /nfs/dbraw/zinc/88/86/22/794888622.db2.gz MDPLOQMYLCVTQZ-ILXRZTDVSA-N 2 0 253.434 1.933 10 0 CDAERP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C[C@@H]21 ZINC000834307639 794920828 /nfs/dbraw/zinc/92/08/28/794920828.db2.gz CNUOAFZUWFIEQV-WWGRRREGSA-N 2 0 297.418 1.361 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000850174768 794972524 /nfs/dbraw/zinc/97/25/24/794972524.db2.gz UMSARWFLNCDMOX-ODXJTPSBSA-N 2 0 268.401 1.646 10 0 CDAERP C[C@@H](CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)[N@H+](C)C1CC1 ZINC000925496643 795003064 /nfs/dbraw/zinc/00/30/64/795003064.db2.gz ROTCPDQSMOADOS-ATGSNQNLSA-N 2 0 265.445 1.835 10 0 CDAERP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3ccnc(F)c3)C2)CC1 ZINC000858134859 795008931 /nfs/dbraw/zinc/00/89/31/795008931.db2.gz IVPVNIOMYRTDEL-AWEZNQCLSA-N 2 0 292.402 1.479 10 0 CDAERP C[C@@H]1CCC[N@@H+]1CCN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@@H]21 ZINC000796781169 795015113 /nfs/dbraw/zinc/01/51/13/795015113.db2.gz LKFYHXCFHSFJIR-KLHDSHLOSA-N 2 0 265.445 1.933 10 0 CDAERP CC[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)C1CCC1 ZINC000925849893 795043650 /nfs/dbraw/zinc/04/36/50/795043650.db2.gz RPECJNIOACIVNI-KBPBESRZSA-N 2 0 280.412 1.840 10 0 CDAERP C[C@@H]1CN(Cc2ncn(-c3ccccc3)n2)CC[C@H]1C[NH3+] ZINC000923495450 795094946 /nfs/dbraw/zinc/09/49/46/795094946.db2.gz VVIKDWOFVNIPRW-KGLIPLIRSA-N 2 0 285.395 1.684 10 0 CDAERP [NH3+][C@H]1CCc2ccccc2N(CCC[NH2+]C2CC2)C1 ZINC000923389206 795257419 /nfs/dbraw/zinc/25/74/19/795257419.db2.gz GMPHMFDUDZEZFU-AWEZNQCLSA-N 2 0 259.397 1.909 10 0 CDAERP C[NH+](C)C1CCC([NH2+][C@@H]2CN3C[C@@H]2CCC3)CC1 ZINC000926608002 795262534 /nfs/dbraw/zinc/26/25/34/795262534.db2.gz YEBVEKBFIHFTLZ-VXGQWTEUSA-N 2 0 251.418 1.543 10 0 CDAERP COC(=O)C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)[C@H]1C ZINC000925784760 795316253 /nfs/dbraw/zinc/31/62/53/795316253.db2.gz KSXYRTCVPGCJBF-IKOXMDCHSA-N 2 0 268.401 1.409 10 0 CDAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CC3(C)C)CC[C@H]21 ZINC000711375972 795335057 /nfs/dbraw/zinc/33/50/57/795335057.db2.gz GMEXPABLYYIDOC-HZSPNIEDSA-N 2 0 279.428 1.175 10 0 CDAERP CN(C)C(=O)C1(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)CCCC1 ZINC000925487692 795387066 /nfs/dbraw/zinc/38/70/66/795387066.db2.gz NWQMTEVMCNMWIX-CHWSQXEVSA-N 2 0 279.428 1.495 10 0 CDAERP C[C@@H]1C[N@H+](CCCN[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CCCO1 ZINC000925651507 795386420 /nfs/dbraw/zinc/38/64/20/795386420.db2.gz DSIRLUHWQNFJFX-OWCLPIDISA-N 2 0 297.487 1.983 10 0 CDAERP CCn1nnc(C)c1C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000865765428 795437713 /nfs/dbraw/zinc/43/77/13/795437713.db2.gz UJACUJQNSRCGJK-UHFFFAOYSA-N 2 0 279.432 1.959 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925647799 795464136 /nfs/dbraw/zinc/46/41/36/795464136.db2.gz HNZGWBUMXPXTNS-PMPSAXMXSA-N 3 0 297.487 1.711 10 0 CDAERP CCO[C@H]1C[C@@H]([NH2+]CCN2CCC([NH3+])CC2)C1(CC)CC ZINC000925813890 795508355 /nfs/dbraw/zinc/50/83/55/795508355.db2.gz DGZBMHOTVAYHAD-CVEARBPZSA-N 2 0 297.487 1.983 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC[N@@H+]1C ZINC000866365299 795561435 /nfs/dbraw/zinc/56/14/35/795561435.db2.gz UWLXIAAUFLQEKV-APIJFGDWSA-N 2 0 281.444 1.706 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000817898763 795566465 /nfs/dbraw/zinc/56/64/65/795566465.db2.gz JYECVHXKHVIGJP-KBPBESRZSA-N 2 0 286.803 1.717 10 0 CDAERP CN(C)Cc1cnc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)s1 ZINC000848563695 795701544 /nfs/dbraw/zinc/70/15/44/795701544.db2.gz WMDCLAGGROCKGT-TXEJJXNPSA-N 2 0 282.457 1.635 10 0 CDAERP O[C@@H](C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)C1CC1 ZINC000838924920 795780103 /nfs/dbraw/zinc/78/01/03/795780103.db2.gz ILZOFWPRUCALMR-KRWDZBQOSA-N 2 0 296.455 1.582 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)N2CCCC23CC[NH+](C)CC3)CC[N@@H+]1C ZINC000925339096 795794400 /nfs/dbraw/zinc/79/44/00/795794400.db2.gz VZRPVIXQBWFLAD-KGLIPLIRSA-N 2 0 294.443 1.349 10 0 CDAERP C[NH+]1CCN(C(C)(C)CNC(=[NH2+])NC2CCCCC2)CC1 ZINC000848984167 795821718 /nfs/dbraw/zinc/82/17/18/795821718.db2.gz VJCCGXCOXTWKQR-UHFFFAOYSA-N 2 0 295.475 1.459 10 0 CDAERP CSC1CC([NH2+]C[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000708310796 795850127 /nfs/dbraw/zinc/85/01/27/795850127.db2.gz PNGFZTRRFOAELP-OTTFEQOBSA-N 2 0 258.431 1.317 10 0 CDAERP C[N@@H+]1C[C@@H]2CN(C[C@@]3(C)CCC[NH2+]C3)C[C@]2(C)C1 ZINC000702376607 795850573 /nfs/dbraw/zinc/85/05/73/795850573.db2.gz AZHJQBYWWFDKSN-ILXRZTDVSA-N 2 0 251.418 1.260 10 0 CDAERP CCNC(=O)C(C)(C)C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925608515 795866897 /nfs/dbraw/zinc/86/68/97/795866897.db2.gz ZHSGNBFSFYCIGE-AGIUHOORSA-N 2 0 281.444 1.515 10 0 CDAERP COC(=O)C1=CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000863543266 795887972 /nfs/dbraw/zinc/88/79/72/795887972.db2.gz XGQCPVIIYSJMMF-FRRDWIJNSA-N 2 0 252.358 1.355 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1COC2(CCCCC2)O1 ZINC000817919062 795893059 /nfs/dbraw/zinc/89/30/59/795893059.db2.gz PAFNZWSBFZNYPS-ZIAGYGMSSA-N 2 0 286.416 1.406 10 0 CDAERP C[C@H](CNC(=O)C=C1CC[NH2+]CC1)[N@@H+]1CCCC[C@@H]1C ZINC000852858958 795961189 /nfs/dbraw/zinc/96/11/89/795961189.db2.gz NFDAUJZVAOKCRG-UONOGXRCSA-N 2 0 279.428 1.675 10 0 CDAERP C[C@@H]1CCC[N@H+](CCN[C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925549067 795978957 /nfs/dbraw/zinc/97/89/57/795978957.db2.gz FATOYZJEDLIPRD-CABCVRRESA-N 2 0 265.445 1.983 10 0 CDAERP CCN(CC)C(=O)[C@H](C)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709839672 796013750 /nfs/dbraw/zinc/01/37/50/796013750.db2.gz YPHVYZKAWOKLHJ-HBNTYKKESA-N 2 0 295.349 1.312 10 0 CDAERP C[C@@H]1[C@@H]([NH2+]CCCN2CCC[N@H+](C)CC2)CO[C@H]1C ZINC000924966932 796026571 /nfs/dbraw/zinc/02/65/71/796026571.db2.gz RXFHMLHODLQVJZ-KKUMJFAQSA-N 2 0 269.433 1.027 10 0 CDAERP CCC1([NH+]2CCCC2)CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923409777 796077645 /nfs/dbraw/zinc/07/76/45/796077645.db2.gz FSFBMHPVQAMVNI-KKUMJFAQSA-N 2 0 281.444 1.177 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)CCCCC[NH3+])C1 ZINC000870994940 796113754 /nfs/dbraw/zinc/11/37/54/796113754.db2.gz YYKZNWYULICCRG-OAHLLOKOSA-N 2 0 269.433 1.729 10 0 CDAERP CC(C)([NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1)c1nccs1 ZINC000923327764 796119517 /nfs/dbraw/zinc/11/95/17/796119517.db2.gz VPGNNVBFRNMVRW-JTQLQIEISA-N 2 0 267.398 1.346 10 0 CDAERP C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2)CC[C@@H]1C[NH3+] ZINC000923495373 796135556 /nfs/dbraw/zinc/13/55/56/796135556.db2.gz BGSFQULRBGMWHE-ZIAGYGMSSA-N 2 0 275.396 1.932 10 0 CDAERP C[C@H](CCCO)[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925547202 796184171 /nfs/dbraw/zinc/18/41/71/796184171.db2.gz ADQYIFOWPDEFQF-VHDGCEQUSA-N 2 0 254.418 1.905 10 0 CDAERP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925879722 796209126 /nfs/dbraw/zinc/20/91/26/796209126.db2.gz JFNOQSAPMPJPJI-DMRZNYOFSA-N 3 0 261.413 1.662 10 0 CDAERP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000713056350 796212293 /nfs/dbraw/zinc/21/22/93/796212293.db2.gz CXTIPGOXFXNNJZ-QWHCGFSZSA-N 2 0 269.433 1.454 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCC3(COC3)O2)C1 ZINC000929778966 796259985 /nfs/dbraw/zinc/25/99/85/796259985.db2.gz LMLLWTMNLBNEFJ-GJZGRUSLSA-N 2 0 282.428 1.598 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000925784893 796289075 /nfs/dbraw/zinc/28/90/75/796289075.db2.gz TWABDQAHHOPFGX-MUIFIZLQSA-N 2 0 273.424 1.847 10 0 CDAERP CCO[C@@H](C[NH2+][C@H](C)Cc1ccccn1)CN(C)C ZINC000926957970 796308646 /nfs/dbraw/zinc/30/86/46/796308646.db2.gz DFDNJACTIODKGA-HIFRSBDPSA-N 2 0 265.401 1.569 10 0 CDAERP C[C@@H](C[N@H+](C)CCN1CC[NH2+]CC1)CC(C)(C)C ZINC000709153746 796338027 /nfs/dbraw/zinc/33/80/27/796338027.db2.gz SRUKCTOPTBZPPX-CQSZACIVSA-N 2 0 255.450 1.896 10 0 CDAERP C[C@@H](CNC(=O)N(C)CC1C[NH+](C)C1)[NH+]1CCCCC1 ZINC000852186151 796343491 /nfs/dbraw/zinc/34/34/91/796343491.db2.gz XPDOZNKCLHJJAS-ZDUSSCGKSA-N 2 0 282.432 1.064 10 0 CDAERP Cc1cc(C)n(CC[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)n1 ZINC000386919414 796347872 /nfs/dbraw/zinc/34/78/72/796347872.db2.gz RGALMUWYSAULCW-FZMZJTMJSA-N 2 0 250.390 1.417 10 0 CDAERP [NH3+]C1CC(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000703440456 796372483 /nfs/dbraw/zinc/37/24/83/796372483.db2.gz WRWXGBAWGSKKKQ-UYSNPLJNSA-N 2 0 287.407 1.505 10 0 CDAERP CN(C)c1ccccc1C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872154148 796387992 /nfs/dbraw/zinc/38/79/92/796387992.db2.gz OXWCVJMBSOPOSR-GOEBONIOSA-N 2 0 259.397 1.794 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](CNC2=[NH+]CCCCN2)C1 ZINC000849215777 796395570 /nfs/dbraw/zinc/39/55/70/796395570.db2.gz CITRZVQMIFLINB-ZDUSSCGKSA-N 2 0 252.406 1.436 10 0 CDAERP Cc1cccc(C)c1OCCCN1CCC[C@]([NH3+])(CO)C1 ZINC000923476876 796414187 /nfs/dbraw/zinc/41/41/87/796414187.db2.gz NHTJMRXMZQJONP-QGZVFWFLSA-N 2 0 292.423 1.858 10 0 CDAERP CC[C@H](C(=O)N(C)CC[NH2+]CCc1ccns1)[NH+](C)C ZINC001317599199 1167460576 /nfs/dbraw/zinc/46/05/76/1167460576.db2.gz QJVQCWQCPDUIDX-CYBMUJFWSA-N 2 0 298.456 1.074 10 0 CDAERP C[C@H](C[NH2+]CC1CCCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001569036592 1167547587 /nfs/dbraw/zinc/54/75/87/1167547587.db2.gz SOTOMUAQAJYATJ-OCCSQVGLSA-N 2 0 267.417 1.223 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001569306344 1167556100 /nfs/dbraw/zinc/55/61/00/1167556100.db2.gz MGBZGDCIUGZBLU-ZIAGYGMSSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@@H](CNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH+]1CCCC[C@H]1C ZINC001646222698 1167705032 /nfs/dbraw/zinc/70/50/32/1167705032.db2.gz SNTHSEDZALNUMR-VYDXJSESSA-N 2 0 293.455 1.851 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001565833091 1168178491 /nfs/dbraw/zinc/17/84/91/1168178491.db2.gz KHWQHHXJTNHLKB-CQSZACIVSA-N 2 0 267.417 1.271 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001566672074 1168383633 /nfs/dbraw/zinc/38/36/33/1168383633.db2.gz LVIOWOHNEHMJQT-CQSZACIVSA-N 2 0 267.417 1.485 10 0 CDAERP CCCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001567021018 1168515416 /nfs/dbraw/zinc/51/54/16/1168515416.db2.gz DRPJQIYGHYUQMH-KBPBESRZSA-N 2 0 269.433 1.755 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001567138600 1168592355 /nfs/dbraw/zinc/59/23/55/1168592355.db2.gz KNAWHHRPESPPJP-OAHLLOKOSA-N 2 0 283.460 1.812 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001266352770 894517816 /nfs/dbraw/zinc/51/78/16/894517816.db2.gz HODFDLPPBOTUTL-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001266526380 895229592 /nfs/dbraw/zinc/22/95/92/895229592.db2.gz UTJYYZHWBDQPTH-FZZYSBJUSA-N 2 0 293.455 1.875 10 0 CDAERP CC(C)[NH2+][C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001266599247 895504774 /nfs/dbraw/zinc/50/47/74/895504774.db2.gz DFNFWVUNJJOEDB-MGPQQGTHSA-N 2 0 267.417 1.506 10 0 CDAERP CN(CC[NH2+]Cc1cc(F)ccc1F)C(=O)CC[NH+](C)C ZINC001266827465 896139550 /nfs/dbraw/zinc/13/95/50/896139550.db2.gz YOMXNGXTHWGIFB-UHFFFAOYSA-N 2 0 299.365 1.465 10 0 CDAERP CCC[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001266994774 896513800 /nfs/dbraw/zinc/51/38/00/896513800.db2.gz PBWWGTZBIDYPRW-ZIAGYGMSSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)CCC[N@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001480914502 896602308 /nfs/dbraw/zinc/60/23/08/896602308.db2.gz ZVGPHCBCZJIMRT-HNNXBMFYSA-N 2 0 283.460 1.812 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)[NH2+]CCCF)CC[N@@H+]1C ZINC001267129760 896880564 /nfs/dbraw/zinc/88/05/64/896880564.db2.gz XAFXGBKBHDILSI-MELADBBJSA-N 2 0 287.423 1.561 10 0 CDAERP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CCC(C)C ZINC001418731451 897098844 /nfs/dbraw/zinc/09/88/44/897098844.db2.gz SWGPOMSDPBUUNW-HNNXBMFYSA-N 2 0 283.460 1.812 10 0 CDAERP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CCC(C)C ZINC001418731461 897098926 /nfs/dbraw/zinc/09/89/26/897098926.db2.gz SWGPOMSDPBUUNW-OAHLLOKOSA-N 2 0 283.460 1.812 10 0 CDAERP CC(C)[N@H+](CCF)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001267507037 898185432 /nfs/dbraw/zinc/18/54/32/898185432.db2.gz DRHKQGJOTBZEPU-UHFFFAOYSA-N 2 0 287.423 1.514 10 0 CDAERP CC[N@@H+]1CC[C@H](CCNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001267576772 898492647 /nfs/dbraw/zinc/49/26/47/898492647.db2.gz XVKBZIDBKZQSJH-KBPBESRZSA-N 2 0 267.417 1.176 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]C(C)C)CC[N@@H+]1C ZINC001481231605 899517148 /nfs/dbraw/zinc/51/71/48/899517148.db2.gz IKBNIPTYVYRZFZ-QWHCGFSZSA-N 2 0 255.406 1.173 10 0 CDAERP CCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001267984667 900190911 /nfs/dbraw/zinc/19/09/11/900190911.db2.gz DKVQFWOTBSUSKW-ZIAGYGMSSA-N 2 0 269.433 1.611 10 0 CDAERP CCC[NH2+]C[C@@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001268009353 900277275 /nfs/dbraw/zinc/27/72/75/900277275.db2.gz OVFDMZAXBXFUBT-CQSZACIVSA-N 2 0 283.460 1.859 10 0 CDAERP O=C1OCC[C@H]1[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000692874679 900869032 /nfs/dbraw/zinc/86/90/32/900869032.db2.gz WWTMWCBBBLTIOO-QWHCGFSZSA-N 2 0 252.358 1.014 10 0 CDAERP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1[NH2+]CCCF ZINC001268136533 901378842 /nfs/dbraw/zinc/37/88/42/901378842.db2.gz YLAXDWSKJRJXSO-KGLIPLIRSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)=CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001268142213 901396541 /nfs/dbraw/zinc/39/65/41/901396541.db2.gz OJRPIRALZLJDNS-CVEARBPZSA-N 2 0 293.455 1.875 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ncc(C)o1)[NH+](C)C ZINC001268375875 901957843 /nfs/dbraw/zinc/95/78/43/901957843.db2.gz SMZKNSRWLRNNBE-WCQYABFASA-N 2 0 296.415 1.308 10 0 CDAERP CCC[NH2+]CC[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001268391226 901979198 /nfs/dbraw/zinc/97/91/98/901979198.db2.gz BQIMJWSKXQYYPP-GFCCVEGCSA-N 2 0 255.406 1.223 10 0 CDAERP CC[C@@H](CNC(=O)Cc1c[nH]cn1)[NH2+]CC1=CCCCC1 ZINC001481856477 902227774 /nfs/dbraw/zinc/22/77/74/902227774.db2.gz GXCHKUOGJKQXEI-AWEZNQCLSA-N 2 0 290.411 1.937 10 0 CDAERP CC[C@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)[NH2+]CC(C)C ZINC001481879624 902263689 /nfs/dbraw/zinc/26/36/89/902263689.db2.gz VXVBSHWPEFEUMD-LSDHHAIUSA-N 2 0 299.459 1.095 10 0 CDAERP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2CCO[C@@H]1CC1(F)F ZINC000690930122 902424970 /nfs/dbraw/zinc/42/49/70/902424970.db2.gz YRCJNYQOUVRMIR-FGNRJIRKSA-N 2 0 260.328 1.755 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001482065466 902585474 /nfs/dbraw/zinc/58/54/74/902585474.db2.gz BRNBKJHDXNXADL-ZIAGYGMSSA-N 2 0 269.433 1.563 10 0 CDAERP CCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001268701613 902988415 /nfs/dbraw/zinc/98/84/15/902988415.db2.gz YSVATGHYUMYNCA-UONOGXRCSA-N 2 0 269.433 1.613 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CCF ZINC001268768967 903106772 /nfs/dbraw/zinc/10/67/72/903106772.db2.gz AGTCWXRTJXZOBK-KBPBESRZSA-N 2 0 287.423 1.561 10 0 CDAERP CN(CCC[NH2+]CC1CCC1)C(=O)C[NH+]1CCCC1 ZINC001268950010 903261171 /nfs/dbraw/zinc/26/11/71/903261171.db2.gz INPLOHKZUKRODI-UHFFFAOYSA-N 2 0 267.417 1.320 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001362789970 904063083 /nfs/dbraw/zinc/06/30/83/904063083.db2.gz XUQOWOUQLWGMMS-ZNMIVQPWSA-N 2 0 283.460 1.952 10 0 CDAERP C[N@@H+]1CCN(C(=O)[C@H]2CCCC[C@H]2[NH3+])CCC1(C)C ZINC000712678866 904546408 /nfs/dbraw/zinc/54/64/08/904546408.db2.gz PNDOYASXJREPPI-QWHCGFSZSA-N 2 0 267.417 1.447 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CCF)C1CCCC1 ZINC001270421940 904626870 /nfs/dbraw/zinc/62/68/70/904626870.db2.gz IPUKLNROIZFJTP-ZIAGYGMSSA-N 2 0 285.407 1.315 10 0 CDAERP C[C@H](C[NH2+]C/C=C\Cl)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001482291758 904668668 /nfs/dbraw/zinc/66/86/68/904668668.db2.gz INUBYPATMMCPRK-VVEJJEBESA-N 2 0 287.835 1.660 10 0 CDAERP CCOCC[NH2+]C[C@@H](C)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001482303818 904836256 /nfs/dbraw/zinc/83/62/56/904836256.db2.gz KUAGOALUQGJOPT-CQSZACIVSA-N 2 0 297.443 1.088 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CC[C@@](C)(C[NH2+]CC2CC2)C1 ZINC001270830890 905113555 /nfs/dbraw/zinc/11/35/55/905113555.db2.gz UQRHWRUSSGWLJP-KRWDZBQOSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001501118654 905206157 /nfs/dbraw/zinc/20/61/57/905206157.db2.gz PHSJVCCOLRMBTK-LSDHHAIUSA-N 2 0 295.471 1.811 10 0 CDAERP CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](F)C[NH+](CC)CC ZINC001270977157 905513333 /nfs/dbraw/zinc/51/33/33/905513333.db2.gz UBSLRHOCGOHZJX-RYUDHWBXSA-N 2 0 261.385 1.123 10 0 CDAERP C[C@H](C[NH2+]CCCF)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001271059113 905596613 /nfs/dbraw/zinc/59/66/13/905596613.db2.gz HEMNFZCBPPJLMV-CYBMUJFWSA-N 2 0 287.423 1.657 10 0 CDAERP CCN(CC[NH2+]CC1CC(C)(C)C1)C(=O)CC[NH+](C)C ZINC001482947282 908530735 /nfs/dbraw/zinc/53/07/35/908530735.db2.gz GXDKODHOBPSZPE-UHFFFAOYSA-N 2 0 283.460 1.812 10 0 CDAERP CCN(CC[NH2+]CC1CC1)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001482963743 908546476 /nfs/dbraw/zinc/54/64/76/908546476.db2.gz XAEHUZOLEYTXER-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)=CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001482990640 908656337 /nfs/dbraw/zinc/65/63/37/908656337.db2.gz FVVZUQQDXBQKQX-NNTXTVRGSA-N 2 0 265.401 1.309 10 0 CDAERP CC[C@H](F)C[NH2+]C/C=C\CNC(=O)C1([NH+](C)C)CCC1 ZINC001483017777 908694809 /nfs/dbraw/zinc/69/48/09/908694809.db2.gz MKJVSAGEQUEKOZ-SZZPACECSA-N 2 0 285.407 1.481 10 0 CDAERP CCC[NH2+]C/C=C/CNC(=O)CC[NH+]1CCCCC1 ZINC001483098166 909337703 /nfs/dbraw/zinc/33/77/03/909337703.db2.gz OVHXBUFJTVBHOG-SNAWJCMRSA-N 2 0 267.417 1.534 10 0 CDAERP C[C@H](C[NH2+]CCF)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001483128748 909688359 /nfs/dbraw/zinc/68/83/59/909688359.db2.gz KNTHRMLLEHGCEU-GFCCVEGCSA-N 2 0 273.396 1.315 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CCOC(C)C ZINC001483198139 909957655 /nfs/dbraw/zinc/95/76/55/909957655.db2.gz XSTSISCUQSWFGV-HUUCEWRRSA-N 2 0 299.459 1.380 10 0 CDAERP CC(C)CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001483318437 910863933 /nfs/dbraw/zinc/86/39/33/910863933.db2.gz CNCVGHKFUHADHF-KBPBESRZSA-N 2 0 269.433 1.563 10 0 CDAERP C[C@@H](C[N@H+](C)CC1CC(C)(C)C1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001483417504 911089949 /nfs/dbraw/zinc/08/99/49/911089949.db2.gz LROBPVJERDFPAU-DZGCQCFKSA-N 2 0 295.471 1.811 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001484070956 915384682 /nfs/dbraw/zinc/38/46/82/915384682.db2.gz KAKJLKWUEFFCGF-ZBFHGGJFSA-N 2 0 283.460 1.953 10 0 CDAERP CCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001484126060 915448956 /nfs/dbraw/zinc/44/89/56/915448956.db2.gz SRRYGBKRJFPTPA-GDBMZVCRSA-N 2 0 281.444 1.566 10 0 CDAERP CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001484520260 915847608 /nfs/dbraw/zinc/84/76/08/915847608.db2.gz FIKZLPGCODJUEM-MGPQQGTHSA-N 2 0 267.417 1.175 10 0 CDAERP CC[C@@H](C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCC1)OC ZINC001484662671 916010232 /nfs/dbraw/zinc/01/02/32/916010232.db2.gz QJFAWAKBZUEDTR-AWEZNQCLSA-N 2 0 297.443 1.136 10 0 CDAERP CC[C@H](C(=O)N1CCC(CC)([NH2+]CCOC)CC1)[NH+](C)C ZINC001484812921 916180428 /nfs/dbraw/zinc/18/04/28/916180428.db2.gz IBEOUNIOSGLFLO-CQSZACIVSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)C[NH2+]C1(C)CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001484928025 916271560 /nfs/dbraw/zinc/27/15/60/916271560.db2.gz DCFXEWLLYQOVKM-UHFFFAOYSA-N 2 0 283.460 1.953 10 0 CDAERP CC1([NH2+]CCF)CCN(C(=O)CCCn2ccnc2)CC1 ZINC001484928440 916273321 /nfs/dbraw/zinc/27/33/21/916273321.db2.gz SRTSMKYJRDCBCU-UHFFFAOYSA-N 2 0 296.390 1.604 10 0 CDAERP C[C@@H](F)CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001484997499 916358995 /nfs/dbraw/zinc/35/89/95/916358995.db2.gz YIJQAYRWZDUXAY-RDBSUJKOSA-N 2 0 287.423 1.703 10 0 CDAERP CO[C@@H](C)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001484997642 916360490 /nfs/dbraw/zinc/36/04/90/916360490.db2.gz TYHIUAOXHIGKKG-AJNGGQMLSA-N 2 0 299.459 1.236 10 0 CDAERP CCC[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001485091956 916501295 /nfs/dbraw/zinc/50/12/95/916501295.db2.gz IINXHSZSQOUBAS-YMAMQOFZSA-N 2 0 281.444 1.754 10 0 CDAERP CCC[N@H+](C)CC(=O)NC1CC(C[NH2+]CC(C)C)C1 ZINC001485108854 916531211 /nfs/dbraw/zinc/53/12/11/916531211.db2.gz QQLVPEOCBNGDSJ-UHFFFAOYSA-N 2 0 269.433 1.469 10 0 CDAERP CC[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001485146924 916584722 /nfs/dbraw/zinc/58/47/22/916584722.db2.gz KLVWIQWTQMSONY-CHWSQXEVSA-N 2 0 269.433 1.754 10 0 CDAERP C[C@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)[NH2+]CCC1CC1 ZINC001485190701 916649976 /nfs/dbraw/zinc/64/99/76/916649976.db2.gz RBFFLVWJLHSSOZ-STQMWFEESA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001485225023 916680583 /nfs/dbraw/zinc/68/05/83/916680583.db2.gz HCDAZAVYXCQJQU-KBPBESRZSA-N 2 0 267.417 1.531 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CC1CCCC1 ZINC001485346260 916866578 /nfs/dbraw/zinc/86/65/78/916866578.db2.gz UOPJZDCCQSDJFZ-ZDUSSCGKSA-N 2 0 269.433 1.565 10 0 CDAERP CCC[NH+]1CC([C@@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001485538209 917067291 /nfs/dbraw/zinc/06/72/91/917067291.db2.gz BNIXPVKUGCMCTP-ZBFHGGJFSA-N 2 0 295.471 1.953 10 0 CDAERP CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCn2cncc2C1 ZINC001485728072 917238402 /nfs/dbraw/zinc/23/84/02/917238402.db2.gz STMLUKDUVSOFJW-CHWSQXEVSA-N 2 0 278.400 1.340 10 0 CDAERP CCOCC[N@H+](C)C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001485765687 917269344 /nfs/dbraw/zinc/26/93/44/917269344.db2.gz NYZKVDFIRBTYDS-UHFFFAOYSA-N 2 0 299.459 1.288 10 0 CDAERP COC[C@@H]1CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000832738026 936596143 /nfs/dbraw/zinc/59/61/43/936596143.db2.gz DGSRHQICKBAUOT-HUUCEWRRSA-N 2 0 270.417 1.192 10 0 CDAERP O=C(N[C@@H]1CC[C@@H](C[NH2+]CCCF)C1)C12CC[NH+](CC1)C2 ZINC001486215751 920827532 /nfs/dbraw/zinc/82/75/32/920827532.db2.gz KXUCHZNAFJITBU-ZIAGYGMSSA-N 2 0 297.418 1.316 10 0 CDAERP CC(C)C[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C(C)(C)C ZINC001486419822 920990556 /nfs/dbraw/zinc/99/05/56/920990556.db2.gz KMLNXLXYHFAAOX-CQSZACIVSA-N 2 0 295.471 1.859 10 0 CDAERP CCCCC[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCC1 ZINC001273203440 924691301 /nfs/dbraw/zinc/69/13/01/924691301.db2.gz ZNNJRYXAZWHJJA-UHFFFAOYSA-N 2 0 281.444 1.901 10 0 CDAERP CCN(CC[NH2+]Cc1ccns1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001273753555 925236503 /nfs/dbraw/zinc/23/65/03/925236503.db2.gz UTWOKPMJIZKUOS-LBPRGKRZSA-N 2 0 296.440 1.033 10 0 CDAERP CC(C)C[N@@H+]1CCCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001410170128 925336204 /nfs/dbraw/zinc/33/62/04/925336204.db2.gz DLTAQPFLKYIOFN-UHFFFAOYSA-N 2 0 281.444 1.519 10 0 CDAERP CCCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001568411587 1169276645 /nfs/dbraw/zinc/27/66/45/1169276645.db2.gz GNOUXTNPSLILCX-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](CCCCCF)C2)C1 ZINC001490561037 927229473 /nfs/dbraw/zinc/22/94/73/927229473.db2.gz NFYFMSAIGGWONF-CABCVRRESA-N 2 0 299.434 1.659 10 0 CDAERP CC[C@@H](F)C[NH2+]C1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001411244190 927301870 /nfs/dbraw/zinc/30/18/70/927301870.db2.gz FHAPXHBPWQUEQN-PNESKVBLSA-N 2 0 273.396 1.265 10 0 CDAERP CC(C)OC(=O)N1CCC([NH2+][C@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000817910890 930625302 /nfs/dbraw/zinc/62/53/02/930625302.db2.gz DRFYXNCALLCAOY-ZFWWWQNUSA-N 2 0 297.443 1.974 10 0 CDAERP CCCC[NH2+]CC1(NC(=O)C[N@H+](C)C(C)C)CCOCC1 ZINC001274021464 931121103 /nfs/dbraw/zinc/12/11/03/931121103.db2.gz WWJWYJQZTKVAJS-UHFFFAOYSA-N 2 0 299.459 1.382 10 0 CDAERP CC/C=C/CC[NH2+]C/C=C\CNC(=O)C12CC[NH+](CC1)C2 ZINC001274509150 931505025 /nfs/dbraw/zinc/50/50/25/931505025.db2.gz KDCJAWFBLYEXCH-FDTUMDBZSA-N 2 0 291.439 1.701 10 0 CDAERP CCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001274644432 931529381 /nfs/dbraw/zinc/52/93/81/931529381.db2.gz QJNHEQWUDJEWAI-QWHCGFSZSA-N 2 0 255.406 1.317 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001274893995 931604139 /nfs/dbraw/zinc/60/41/39/931604139.db2.gz DXIAQWTYVVNHES-MQYQWHSLSA-N 2 0 287.423 1.559 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]CC[C@H]1CCOC1)[NH+](C)C ZINC001274913212 931607607 /nfs/dbraw/zinc/60/76/07/931607607.db2.gz LTPYYAQRSPAQCU-QLFBSQMISA-N 2 0 299.459 1.094 10 0 CDAERP CCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001275864787 932103589 /nfs/dbraw/zinc/10/35/89/932103589.db2.gz BSXHZJXYVXVTEG-OLZOCXBDSA-N 2 0 255.406 1.317 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@H](CC[NH2+]CC2CC2)C1 ZINC001326350710 932204304 /nfs/dbraw/zinc/20/43/04/932204304.db2.gz CFKOLJKMQGPBFD-AWEZNQCLSA-N 2 0 267.417 1.176 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC[C@H]2CCC[N@H+](C)C2)C1 ZINC001412219143 932329837 /nfs/dbraw/zinc/32/98/37/932329837.db2.gz QQWAMZZNNNACSF-BZUAXINKSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[C@H]1CN(C(=O)CC[NH+]2CC[C@@H](F)C2)CC[N@@H+]1C ZINC001412472379 932445082 /nfs/dbraw/zinc/44/50/82/932445082.db2.gz XXEKNVGJSSQNTD-ZIAGYGMSSA-N 2 0 285.407 1.219 10 0 CDAERP C[C@@H]1CC[N@H+](CCNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001412593838 932538846 /nfs/dbraw/zinc/53/88/46/932538846.db2.gz KJZPJFVWEOJMCQ-QLFBSQMISA-N 2 0 281.444 1.565 10 0 CDAERP CCOCC[NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001276189587 932624172 /nfs/dbraw/zinc/62/41/72/932624172.db2.gz HIQNCODMTQPXPU-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP CN1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1 ZINC000926685920 933013928 /nfs/dbraw/zinc/01/39/28/933013928.db2.gz JVCFSFSLESJIOG-BMTHCPATSA-N 2 0 284.469 1.606 10 0 CDAERP [NH3+]C[C@H]1CCN(C[C@H]2CCC[NH2+]C2)c2ccccc21 ZINC001119066622 937693097 /nfs/dbraw/zinc/69/30/97/937693097.db2.gz NSWWEUIGYLTDPT-UONOGXRCSA-N 2 0 259.397 1.939 10 0 CDAERP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC000901135691 935978949 /nfs/dbraw/zinc/97/89/49/935978949.db2.gz QICYUUKNMCPIFL-UXLLHSPISA-N 2 0 291.439 1.415 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405351698 940983711 /nfs/dbraw/zinc/98/37/11/940983711.db2.gz OLUQJTGDKAHZFC-HZSPNIEDSA-N 2 0 251.418 1.720 10 0 CDAERP COC[C@H](C)C[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000188322742 941283354 /nfs/dbraw/zinc/28/33/54/941283354.db2.gz VUZGYKWTFIFFNT-ZIAGYGMSSA-N 2 0 265.401 1.957 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](CC[NH2+]CCCF)C1 ZINC001280308572 942427794 /nfs/dbraw/zinc/42/77/94/942427794.db2.gz UOWIOGMOJKCKPL-CQSZACIVSA-N 2 0 287.423 1.514 10 0 CDAERP CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001280459837 942447578 /nfs/dbraw/zinc/44/75/78/942447578.db2.gz LOWCOUNCGDTVED-ZIAGYGMSSA-N 2 0 267.417 1.319 10 0 CDAERP CCCC[NH2+][C@H](C)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001282181391 942673419 /nfs/dbraw/zinc/67/34/19/942673419.db2.gz ACTGESGUKNNKRT-OLZOCXBDSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)CCC1CC1 ZINC001282497681 942723000 /nfs/dbraw/zinc/72/30/00/942723000.db2.gz PWBLOXVDDLFSCO-CYBMUJFWSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)=CC[NH+]1CC([C@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001282739443 942747805 /nfs/dbraw/zinc/74/78/05/942747805.db2.gz UQZAGLWIFGLPMD-LSDHHAIUSA-N 2 0 293.455 1.731 10 0 CDAERP CCC[N@@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C1 ZINC001282830441 942756562 /nfs/dbraw/zinc/75/65/62/942756562.db2.gz AEMLRBXQMOKAIC-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP C[NH+]1CCC(C(=O)N[C@H]2C[C@H](C[NH2+]C/C=C\Cl)C2)CC1 ZINC001283081194 942818781 /nfs/dbraw/zinc/81/87/81/942818781.db2.gz WMMZHUQQWWLSTD-VYXGTHDSSA-N 2 0 299.846 1.565 10 0 CDAERP C[C@@H](CCC[NH2+]CCF)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001283229629 942861612 /nfs/dbraw/zinc/86/16/12/942861612.db2.gz OLNBHCXURLARKT-IHRRRGAJSA-N 2 0 287.423 1.561 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N(C)C[C@@H]2CCC[NH+](C)C2)C1 ZINC001362153618 970953199 /nfs/dbraw/zinc/95/31/99/970953199.db2.gz FENSFFJPAXLPLZ-CVEARBPZSA-N 2 0 295.471 1.907 10 0 CDAERP CC[NH2+]CCOCCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001284879090 943272126 /nfs/dbraw/zinc/27/21/26/943272126.db2.gz ZTVCJUYKXFGFCD-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001263840529 943998921 /nfs/dbraw/zinc/99/89/21/943998921.db2.gz JTHWQGXJZDVRAD-QLFBSQMISA-N 2 0 281.444 1.755 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCCF)C1 ZINC001263851879 944003747 /nfs/dbraw/zinc/00/37/47/944003747.db2.gz XNXUDJRHVXADFJ-QLFBSQMISA-N 2 0 299.434 1.705 10 0 CDAERP CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001264363564 944112539 /nfs/dbraw/zinc/11/25/39/944112539.db2.gz RMMVDVUUJQNLTL-QWHCGFSZSA-N 2 0 255.406 1.269 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1CC ZINC001264617583 944153768 /nfs/dbraw/zinc/15/37/68/944153768.db2.gz TXVMMYMGCOXOKV-QWHCGFSZSA-N 2 0 255.406 1.317 10 0 CDAERP CC(C)[NH2+][C@@H]1CCCCCN(C(=O)CC[NH+](C)C)C1 ZINC001264682103 944161793 /nfs/dbraw/zinc/16/17/93/944161793.db2.gz QFYGLJXGPKQKAO-CQSZACIVSA-N 2 0 269.433 1.707 10 0 CDAERP CCC[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001264986537 944194555 /nfs/dbraw/zinc/19/45/55/944194555.db2.gz OHWGOWHCZYURES-CQSZACIVSA-N 2 0 269.433 1.707 10 0 CDAERP CC[N@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)C1CC1 ZINC001265184352 944266129 /nfs/dbraw/zinc/26/61/29/944266129.db2.gz ZIMWAYTXSYUNLU-OKILXGFUSA-N 2 0 281.444 1.850 10 0 CDAERP CCOCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001265283517 944321191 /nfs/dbraw/zinc/32/11/91/944321191.db2.gz FYCFIMWZTQBIGC-CABCVRRESA-N 2 0 297.443 1.086 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001265679771 944467506 /nfs/dbraw/zinc/46/75/06/944467506.db2.gz HYMHKPTWHIIHPV-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CCC(C)(C)C ZINC001265818973 944522035 /nfs/dbraw/zinc/52/20/35/944522035.db2.gz WIZCBGXVNYYPAA-LBPRGKRZSA-N 2 0 257.422 1.469 10 0 CDAERP CC[C@H](C(=O)NCCC[N@H+](C)Cc1cccnc1)[NH+](C)C ZINC001265871446 944552175 /nfs/dbraw/zinc/55/21/75/944552175.db2.gz AGYUZBAKYMDJOR-OAHLLOKOSA-N 2 0 292.427 1.360 10 0 CDAERP CC[N@H+](C)CCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001265978163 944610963 /nfs/dbraw/zinc/61/09/63/944610963.db2.gz DFNYNNRLSLZACY-UHFFFAOYSA-N 2 0 277.412 1.820 10 0 CDAERP C[C@H](CCNC(=O)C12CCC[NH+]1CCC2)[NH2+]CCCF ZINC001266158375 944723254 /nfs/dbraw/zinc/72/32/54/944723254.db2.gz MZCWLYAPSTYVEG-CYBMUJFWSA-N 2 0 285.407 1.459 10 0 CDAERP COCC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001278325170 946164578 /nfs/dbraw/zinc/16/45/78/946164578.db2.gz HVDAWZHESQNPHD-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)N(C)[C@H]2CCC[NH+](C)C2)C1 ZINC001362390465 971221460 /nfs/dbraw/zinc/22/14/60/971221460.db2.gz YQCWMTNYCCKKIF-CABCVRRESA-N 2 0 281.444 1.659 10 0 CDAERP CCN1CCN(C(=O)c2ccc(CN(C)C)o2)[C@H](C)C1 ZINC001362436248 971269704 /nfs/dbraw/zinc/26/97/04/971269704.db2.gz XGALASRQHKTJPS-GFCCVEGCSA-N 2 0 279.384 1.507 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]C(C)C ZINC001568995756 1169584746 /nfs/dbraw/zinc/58/47/46/1169584746.db2.gz BPMNGZUBBRQKFL-CHWSQXEVSA-N 2 0 255.406 1.364 10 0 CDAERP CCCN(CCC[NH+](C)C)C(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001362629644 971473435 /nfs/dbraw/zinc/47/34/35/971473435.db2.gz QPPWQKOCDZSSSX-AWEZNQCLSA-N 2 0 287.423 1.611 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N[C@H](C[NH2+]CCF)C(C)(C)C)C1 ZINC001279022444 948609832 /nfs/dbraw/zinc/60/98/32/948609832.db2.gz VHOROJCVLWWKET-CHWSQXEVSA-N 2 0 287.423 1.418 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH2+]CC1CC1)C1CC1 ZINC001480028125 971545125 /nfs/dbraw/zinc/54/51/25/971545125.db2.gz JODVDEPYUQKUNY-GJZGRUSLSA-N 2 0 279.428 1.365 10 0 CDAERP C[C@H](NC(=O)CC[NH+](C)C)[C@H]1CCC[N@H+](CCF)C1 ZINC001480384641 971696063 /nfs/dbraw/zinc/69/60/63/971696063.db2.gz XDKHOTRJVKYADQ-STQMWFEESA-N 2 0 273.396 1.124 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CCC1CC1 ZINC001480462853 971741065 /nfs/dbraw/zinc/74/10/65/971741065.db2.gz NZQWUHPGYRSVBV-WFASDCNBSA-N 2 0 279.428 1.223 10 0 CDAERP C[C@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH2+]CCF ZINC001480489906 971752857 /nfs/dbraw/zinc/75/28/57/971752857.db2.gz CWNBOCQFURVTNX-GFCCVEGCSA-N 2 0 287.423 1.703 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CC[C@@H](F)C2)C1 ZINC001362948285 971752605 /nfs/dbraw/zinc/75/26/05/971752605.db2.gz FPQYWXDKBCTKEQ-OLZOCXBDSA-N 2 0 285.407 1.409 10 0 CDAERP C[C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CCF ZINC001480770812 971873195 /nfs/dbraw/zinc/87/31/95/971873195.db2.gz ZLWQQDMERCEKGX-UKRRQHHQSA-N 2 0 299.434 1.847 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC[C@H]2C[NH+]3CCC2CC3)C1 ZINC001363838928 953895763 /nfs/dbraw/zinc/89/57/63/953895763.db2.gz OBJLOZZLEJQRKB-OWCLPIDISA-N 2 0 293.455 1.565 10 0 CDAERP CC(C)C[NH2+]CC[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001326411466 954368153 /nfs/dbraw/zinc/36/81/53/954368153.db2.gz LMNSCTNJWWZBPC-JKSUJKDBSA-N 2 0 295.471 1.812 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)[C@H]2CCCC[C@@H]2[NH3+])C[N@@H+]1C1CC1 ZINC001326687360 954491140 /nfs/dbraw/zinc/49/11/40/954491140.db2.gz GKRGBNDMQKUOOV-XWUBHJNHSA-N 2 0 265.401 1.245 10 0 CDAERP O[C@@H]1CC[N@@H+](C2CC[NH+](C[C@H]3CCCC[C@H]3O)CC2)C1 ZINC001363265608 972032517 /nfs/dbraw/zinc/03/25/17/972032517.db2.gz AWTJQIRQHNUDIT-FVQBIDKESA-N 2 0 282.428 1.069 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC001327196338 954765243 /nfs/dbraw/zinc/76/52/43/954765243.db2.gz NJVUPJOHNNFCBH-MGPQQGTHSA-N 2 0 267.417 1.495 10 0 CDAERP CC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001328282002 955250791 /nfs/dbraw/zinc/25/07/91/955250791.db2.gz FUITUXZULFFSRO-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]C[C@@H]1CCCCO1 ZINC001421490509 955372351 /nfs/dbraw/zinc/37/23/51/955372351.db2.gz AQKFSABOUJQFKN-GJZGRUSLSA-N 2 0 299.459 1.380 10 0 CDAERP CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001491792569 955432739 /nfs/dbraw/zinc/43/27/39/955432739.db2.gz WNHAEWXBOHKOTN-UDLYIEAKSA-N 2 0 293.455 1.875 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@@H](C[NH2+]CC2CC2)C1 ZINC001491808426 955474211 /nfs/dbraw/zinc/47/42/11/955474211.db2.gz KIBMTRMQIMMIQA-GJZGRUSLSA-N 2 0 299.434 1.514 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001421742098 955517394 /nfs/dbraw/zinc/51/73/94/955517394.db2.gz LPFXIKJQVCQLKQ-GXTWGEPZSA-N 2 0 287.423 1.418 10 0 CDAERP COC[C@H](C)[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCCC1 ZINC001421847965 955589962 /nfs/dbraw/zinc/58/99/62/955589962.db2.gz IXAMOBJVIUOPNQ-AWEZNQCLSA-N 2 0 297.443 1.136 10 0 CDAERP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cscn1 ZINC001492128271 955640465 /nfs/dbraw/zinc/64/04/65/955640465.db2.gz OLTYVNSZJAYDCL-GFCCVEGCSA-N 2 0 296.440 1.223 10 0 CDAERP CN(CC(C)(C)C[NH+](C)C)C(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001365148884 955647674 /nfs/dbraw/zinc/64/76/74/955647674.db2.gz WZGUJQKEMXWPHT-CYBMUJFWSA-N 2 0 287.423 1.467 10 0 CDAERP C[C@H](C[NH2+]Cc1ccccc1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001421987260 955688179 /nfs/dbraw/zinc/68/81/79/955688179.db2.gz JJWQGXVKACUFTM-GDBMZVCRSA-N 2 0 289.423 1.575 10 0 CDAERP CC[C@H](F)C[NH2+]C1(C)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001422062238 955726343 /nfs/dbraw/zinc/72/63/43/955726343.db2.gz OMSDPSXZLMSNNQ-ZDUSSCGKSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@@H]([NH2+]CCc1cccs1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001422373955 955971081 /nfs/dbraw/zinc/97/10/81/955971081.db2.gz DXTBRCQRIOOXLT-OLZOCXBDSA-N 2 0 297.468 1.725 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N(C)C[C@@H]2CCC[NH+]2C)C1 ZINC001363418165 972151971 /nfs/dbraw/zinc/15/19/71/972151971.db2.gz FMENAJJRBLLJFE-GJZGRUSLSA-N 2 0 281.444 1.659 10 0 CDAERP C[N@@H+]1C[C@]23C[NH+]([C@H]4CCCNC4=O)C[C@@]2(C1)CCCC3 ZINC001422501034 956098019 /nfs/dbraw/zinc/09/80/19/956098019.db2.gz MYAFNTZTFMNNKN-CWRNSKLLSA-N 2 0 277.412 1.073 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC001329759909 956101447 /nfs/dbraw/zinc/10/14/47/956101447.db2.gz MVKSXXAGHMRKOB-AWEZNQCLSA-N 2 0 269.433 1.613 10 0 CDAERP CC(C)(C(=O)N1CC[C@@H](C[NH2+]CCCF)C1)[NH+]1CCCC1 ZINC001317332184 956179476 /nfs/dbraw/zinc/17/94/76/956179476.db2.gz XJUXEVDEAHISJA-AWEZNQCLSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCCCC[NH+]1CCCO ZINC001422721905 956288990 /nfs/dbraw/zinc/28/89/90/956288990.db2.gz UKJDZNIKOCXZNS-HNNXBMFYSA-N 2 0 299.459 1.070 10 0 CDAERP CCC[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001365857926 956411387 /nfs/dbraw/zinc/41/13/87/956411387.db2.gz YSAJLMMAVUULTP-SOUVJXGZSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@@H+]1CCCF ZINC001365897432 956431230 /nfs/dbraw/zinc/43/12/30/956431230.db2.gz DDIHXACYNVHCKM-CABCVRRESA-N 2 0 299.434 1.801 10 0 CDAERP C[C@@H]1[C@H](C(=O)NC[C@H]([NH2+]C/C=C\Cl)C2CC2)CC[N@@H+]1C ZINC001366031022 956522926 /nfs/dbraw/zinc/52/29/26/956522926.db2.gz HCJZIAITJLLYJK-QALBEDSISA-N 2 0 299.846 1.564 10 0 CDAERP CC(C)CC[NH2+][C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001366056120 956538226 /nfs/dbraw/zinc/53/82/26/956538226.db2.gz DCAIUUYLEUUBRI-ZBFHGGJFSA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N[C@@]2(C)C[NH+]3CCC2CC3)C1 ZINC001363476017 972192953 /nfs/dbraw/zinc/19/29/53/972192953.db2.gz OSGGVGPIDSCYSU-YOEHRIQHSA-N 2 0 293.455 1.707 10 0 CDAERP CC(C)CC[NH2+][C@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001423104548 956591237 /nfs/dbraw/zinc/59/12/37/956591237.db2.gz NDOYHIKYOFZZIH-CQSZACIVSA-N 2 0 283.460 1.811 10 0 CDAERP Cc1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)CC[NH+](C)C)C2)s1 ZINC001366155681 956610288 /nfs/dbraw/zinc/61/02/88/956610288.db2.gz NOBQNOUECGDQBZ-TXEJJXNPSA-N 2 0 296.440 1.140 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCF)[C@H]2C1 ZINC001423349642 956735591 /nfs/dbraw/zinc/73/55/91/956735591.db2.gz ASYGQOLFLQBXCS-SOUVJXGZSA-N 2 0 299.434 1.513 10 0 CDAERP CC(C)[N@@H+]1CC[C@@]2(NC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001423356813 956738544 /nfs/dbraw/zinc/73/85/44/956738544.db2.gz VNONDPPWPFPRLF-ZBFHGGJFSA-N 2 0 281.444 1.850 10 0 CDAERP CC[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccns1)[NH+](C)C ZINC001366480029 956859833 /nfs/dbraw/zinc/85/98/33/956859833.db2.gz SQNANNVSRHSAPZ-DGCLKSJQSA-N 2 0 298.456 1.468 10 0 CDAERP CC(C)OCC[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001423603514 956898155 /nfs/dbraw/zinc/89/81/55/956898155.db2.gz XOBBXSCZQFNRPM-INIZCTEOSA-N 2 0 297.443 1.088 10 0 CDAERP CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001423701138 956945593 /nfs/dbraw/zinc/94/55/93/956945593.db2.gz JVHDHWLPUSEVKD-ZBFHGGJFSA-N 2 0 283.460 1.955 10 0 CDAERP CC1CC(C[NH2+]CCCN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001569257240 1169738648 /nfs/dbraw/zinc/73/86/48/1169738648.db2.gz AENNHBSKZRFYKT-PCKAHOCUSA-N 2 0 295.471 1.812 10 0 CDAERP CC[N@H+](CCNC(=O)CC[NH+](C)C)Cc1ccccc1C ZINC001366634051 957062540 /nfs/dbraw/zinc/06/25/40/957062540.db2.gz STMMQTHEZZHAQR-UHFFFAOYSA-N 2 0 291.439 1.885 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001366697313 957124282 /nfs/dbraw/zinc/12/42/82/957124282.db2.gz BCIBDYKAYUPHLS-KBPBESRZSA-N 2 0 299.434 1.657 10 0 CDAERP C[C@H](F)CC[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001366755370 957164469 /nfs/dbraw/zinc/16/44/69/957164469.db2.gz DEQBTBMJUVKUAX-KBPBESRZSA-N 2 0 299.434 1.657 10 0 CDAERP CN(CCC[NH2+]C/C=C\Cl)C(=O)CCc1cncn1C ZINC001569262188 1169740467 /nfs/dbraw/zinc/74/04/67/1169740467.db2.gz SDOWXFLZLFUHFX-CLTKARDFSA-N 2 0 298.818 1.543 10 0 CDAERP CN(CCC[NH2+]C/C=C/Cl)C(=O)CCc1cncn1C ZINC001569262189 1169740506 /nfs/dbraw/zinc/74/05/06/1169740506.db2.gz SDOWXFLZLFUHFX-XVNBXDOJSA-N 2 0 298.818 1.543 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001317090535 957262262 /nfs/dbraw/zinc/26/22/62/957262262.db2.gz BTNVLYNBLIWQHE-HDJSIYSDSA-N 2 0 279.428 1.509 10 0 CDAERP CC(C)CC[NH+]1CC(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001366985304 957317403 /nfs/dbraw/zinc/31/74/03/957317403.db2.gz NFDKDSAKXPIMOR-HNNXBMFYSA-N 2 0 283.460 1.667 10 0 CDAERP CC(C)=CC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC001331930519 957343194 /nfs/dbraw/zinc/34/31/94/957343194.db2.gz YADAPYUWNJGGOL-HUUCEWRRSA-N 2 0 291.439 1.627 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N(C)[C@H]1CC[N@H+](CC)C1 ZINC001367043604 957351754 /nfs/dbraw/zinc/35/17/54/957351754.db2.gz HPFJOTJMLWVZCF-STQMWFEESA-N 2 0 273.396 1.219 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001367058830 957374836 /nfs/dbraw/zinc/37/48/36/957374836.db2.gz LILKWYJESYIEKR-OLZOCXBDSA-N 2 0 273.396 1.219 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1conc1C ZINC001424854333 957384504 /nfs/dbraw/zinc/38/45/04/957384504.db2.gz VPNJOWUYJUUWEB-VXGBXAGGSA-N 2 0 296.415 1.308 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C1C[NH+](CC2CC(C)C2)C1 ZINC001425267077 957502607 /nfs/dbraw/zinc/50/26/07/957502607.db2.gz WPISKAFINGUCKC-SLTAFYQDSA-N 2 0 295.471 1.809 10 0 CDAERP CC[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)CC1CC1 ZINC001317491123 957508970 /nfs/dbraw/zinc/50/89/70/957508970.db2.gz QCBAKAFIHJDSNH-AWEZNQCLSA-N 2 0 267.417 1.176 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCCCCF ZINC001317499155 957514171 /nfs/dbraw/zinc/51/41/71/957514171.db2.gz YHKLKWMFVKXBEH-GJZGRUSLSA-N 2 0 299.434 1.801 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@H]1CCC[N@H+]1CCCCCF ZINC001317514351 957523717 /nfs/dbraw/zinc/52/37/17/957523717.db2.gz BSSKAPMSOHWBAK-OAHLLOKOSA-N 2 0 299.434 1.803 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001317523897 957528843 /nfs/dbraw/zinc/52/88/43/957528843.db2.gz UTJYYZHWBDQPTH-SGFLJFKBSA-N 2 0 293.455 1.875 10 0 CDAERP CC[N@@H+]1CC[C@@]2(NC(=O)CCC[NH+]3CCCC3)CCC[C@H]12 ZINC001425913634 957640207 /nfs/dbraw/zinc/64/02/07/957640207.db2.gz RYVXGZDYVWXNCY-RDJZCZTQSA-N 2 0 293.455 1.996 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCC[NH+](CCCCCF)C2)C1 ZINC001317955177 957827243 /nfs/dbraw/zinc/82/72/43/957827243.db2.gz HDBZMTUNHOJFGJ-HUUCEWRRSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@](C)(C[NH2+]CC1CC1)C1CC1 ZINC001367190378 957836659 /nfs/dbraw/zinc/83/66/59/957836659.db2.gz OWTVDEQBTSSITH-MRXNPFEDSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+]Cc1ccccc1 ZINC001367282920 957905253 /nfs/dbraw/zinc/90/52/53/957905253.db2.gz CRBIEPLMLMWTJN-OAHLLOKOSA-N 2 0 291.439 1.869 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CCCCC1 ZINC001367451493 958020969 /nfs/dbraw/zinc/02/09/69/958020969.db2.gz WEQFLPWLFKTUNR-CABCVRRESA-N 2 0 281.444 1.613 10 0 CDAERP CCOCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001318415672 958091335 /nfs/dbraw/zinc/09/13/35/958091335.db2.gz ZVVAQEARCORYRC-HUUCEWRRSA-N 2 0 299.459 1.286 10 0 CDAERP CC[C@H](C)C[NH2+][C@@H](CC)CNC(=O)C[NH+]1CCCC1 ZINC001318604442 958197768 /nfs/dbraw/zinc/19/77/68/958197768.db2.gz UASFXDBLSCHUBJ-KBPBESRZSA-N 2 0 269.433 1.613 10 0 CDAERP CCC[NH2+]CC1(NC(=O)C[N@H+](C)CCC)CCCC1 ZINC001318664722 958218512 /nfs/dbraw/zinc/21/85/12/958218512.db2.gz ONLHILCIHFVXQE-UHFFFAOYSA-N 2 0 269.433 1.757 10 0 CDAERP COCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001319541320 958619130 /nfs/dbraw/zinc/61/91/30/958619130.db2.gz SJRSZIOFEVOYJU-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001319573895 958638761 /nfs/dbraw/zinc/63/87/61/958638761.db2.gz ILYLGTKYIZUPHY-CQSZACIVSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCC2)C1 ZINC001368535045 958940371 /nfs/dbraw/zinc/94/03/71/958940371.db2.gz LNWGVJCVTULWTQ-GASCZTMLSA-N 2 0 281.444 1.611 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001368579943 958980190 /nfs/dbraw/zinc/98/01/90/958980190.db2.gz LVIMSQSPIOIASN-HDJSIYSDSA-N 2 0 283.460 1.859 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2C[C@H]([NH2+]C/C=C\Cl)C2)C1 ZINC001368603040 958991310 /nfs/dbraw/zinc/99/13/10/958991310.db2.gz DEYBDHFCEHYZKR-VJTUPBFBSA-N 2 0 299.846 1.565 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cncs1 ZINC001368898552 959235046 /nfs/dbraw/zinc/23/50/46/959235046.db2.gz VPJQDQWFXGMHBO-NWDGAFQWSA-N 2 0 298.456 1.468 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cnc(N(C)C)s1 ZINC001334829861 959394519 /nfs/dbraw/zinc/39/45/19/959394519.db2.gz XPPRCXKBYDFVKJ-GHMZBOCLSA-N 2 0 268.430 1.544 10 0 CDAERP C[C@@H](F)CC[NH+]1CC([C@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001369081977 959447470 /nfs/dbraw/zinc/44/74/70/959447470.db2.gz JPWKOONUUVXBKK-OLZOCXBDSA-N 2 0 299.434 1.655 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H]1C[N@@H+](C(C)C)CC1(C)C)[NH+](C)C ZINC001369123499 959473756 /nfs/dbraw/zinc/47/37/56/959473756.db2.gz IBXQEECURNLLDW-UONOGXRCSA-N 2 0 283.460 1.808 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)C1C[NH+](CC[C@H](C)F)C1 ZINC001369165330 959495138 /nfs/dbraw/zinc/49/51/38/959495138.db2.gz QFTWXUGONLEFEY-QWHCGFSZSA-N 2 0 287.423 1.513 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H](C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001369253347 959580737 /nfs/dbraw/zinc/58/07/37/959580737.db2.gz XVFYNXQUWXOUQH-CHWSQXEVSA-N 2 0 287.423 1.655 10 0 CDAERP C[C@H](C[NH2+]CC1=CCCCC1)NC(=O)C[NH+]1CCCC1 ZINC001321746313 959930403 /nfs/dbraw/zinc/93/04/03/959930403.db2.gz KJLSSZAJRKXFEE-CQSZACIVSA-N 2 0 279.428 1.677 10 0 CDAERP C[C@](C[NH2+]CC1CCC1)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001495302868 972468347 /nfs/dbraw/zinc/46/83/47/972468347.db2.gz YTVLOJKRDQIKRE-QGZVFWFLSA-N 2 0 293.455 1.757 10 0 CDAERP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1)[NH+](C)C ZINC001370052465 959974422 /nfs/dbraw/zinc/97/44/22/959974422.db2.gz YJVTVTZDJZOBFS-CABCVRRESA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC[C@H](C)F)C1 ZINC001370063346 959977644 /nfs/dbraw/zinc/97/76/44/959977644.db2.gz OZRWFYLNZGQUMI-STQMWFEESA-N 2 0 273.396 1.265 10 0 CDAERP CC(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001370294982 960046913 /nfs/dbraw/zinc/04/69/13/960046913.db2.gz SAORBBHZIVJSHU-HOTGVXAUSA-N 2 0 295.471 1.907 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]([NH2+]C/C=C\Cl)C1 ZINC001370365443 960070745 /nfs/dbraw/zinc/07/07/45/960070745.db2.gz VDDBWVPQEXJFLE-SSNWNQLTSA-N 2 0 299.846 1.804 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001370719627 960189558 /nfs/dbraw/zinc/18/95/58/960189558.db2.gz NDLJIYXTWPDXCB-SKXBYLJPSA-N 2 0 273.808 1.316 10 0 CDAERP CC(C)C[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C1CC1 ZINC001323066027 960429877 /nfs/dbraw/zinc/42/98/77/960429877.db2.gz MCLBEIPCFYEHNG-CYBMUJFWSA-N 2 0 255.406 1.079 10 0 CDAERP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+]2CC[C@@H](F)C2)C1 ZINC001433791198 960618920 /nfs/dbraw/zinc/61/89/20/960618920.db2.gz YRHDAGUEAVMTEG-RRFJBIMHSA-N 2 0 297.418 1.363 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCC2CCC2)CC1 ZINC001323406221 960713439 /nfs/dbraw/zinc/71/34/39/960713439.db2.gz OEGVMUYJUCFNJL-HNNXBMFYSA-N 2 0 293.455 1.899 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001418707816 960925956 /nfs/dbraw/zinc/92/59/56/960925956.db2.gz LTWCFDALITYZFY-IHRRRGAJSA-N 2 0 287.423 1.559 10 0 CDAERP CC(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001418729917 960953344 /nfs/dbraw/zinc/95/33/44/960953344.db2.gz JBGZZXJVFXEZCG-LSDHHAIUSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@@H]1[C@H](C(=O)NCC23CCC[NH+](CCC2)C3)CC[N@@H+]1C ZINC001418745881 960969565 /nfs/dbraw/zinc/96/95/65/960969565.db2.gz ITVAUFPLNISFJG-ZIAGYGMSSA-N 2 0 279.428 1.319 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001418912332 961151796 /nfs/dbraw/zinc/15/17/96/961151796.db2.gz JANYJQXPAJQCKR-GJZGRUSLSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@H](F)C[NH+]1CCC2(C[C@@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001419213550 961508090 /nfs/dbraw/zinc/50/80/90/961508090.db2.gz VDDOBKRSIUFELO-KBPBESRZSA-N 2 0 299.434 1.657 10 0 CDAERP Cc1ncc(C[NH2+][C@@H](C)CNC(=O)CCC[NH+](C)C)s1 ZINC001419828937 962136391 /nfs/dbraw/zinc/13/63/91/962136391.db2.gz ZUMTTWYOPSVGIX-NSHDSACASA-N 2 0 298.456 1.388 10 0 CDAERP CC(C)OCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H]1C ZINC001436472055 962276521 /nfs/dbraw/zinc/27/65/21/962276521.db2.gz OCFUFGHRQQPQMF-QLFBSQMISA-N 2 0 297.443 1.085 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cnc(C)o2)C1)[NH+](C)C ZINC001436910204 962491658 /nfs/dbraw/zinc/49/16/58/962491658.db2.gz DOEQDNLCFOJTNZ-OBJOEFQTSA-N 2 0 294.399 1.060 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001437009791 962555452 /nfs/dbraw/zinc/55/54/52/962555452.db2.gz ZQPFDUONNQGRRV-CABCVRRESA-N 2 0 283.460 1.812 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001420374653 962809436 /nfs/dbraw/zinc/80/94/36/962809436.db2.gz BUIVPMFRXQWGFP-ZIAGYGMSSA-N 2 0 299.459 1.236 10 0 CDAERP C[C@@H](C[N@H+](C)CCC(C)(C)C)NC(=O)[C@H]1CN(C)CCO1 ZINC001420567705 963071049 /nfs/dbraw/zinc/07/10/49/963071049.db2.gz WJWLTCOYOOGBSR-UONOGXRCSA-N 2 0 299.459 1.190 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC[N@@H+]2CCC(C)(C)C2)C1 ZINC001420569418 963072763 /nfs/dbraw/zinc/07/27/63/963072763.db2.gz LZVJWRRFGDSPAF-CABCVRRESA-N 2 0 295.471 1.955 10 0 CDAERP CCCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCC)C1 ZINC001437898237 963224607 /nfs/dbraw/zinc/22/46/07/963224607.db2.gz BCTXVPXPGDNUPK-CABCVRRESA-N 2 0 281.444 1.661 10 0 CDAERP CC(C)C[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001420765038 963227507 /nfs/dbraw/zinc/22/75/07/963227507.db2.gz XJCZNWYLOUXBTF-CWRNSKLLSA-N 2 0 295.471 1.857 10 0 CDAERP CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001420776674 963233246 /nfs/dbraw/zinc/23/32/46/963233246.db2.gz PUUWWDXSXAPDRL-JKSUJKDBSA-N 2 0 289.423 1.938 10 0 CDAERP CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001420776660 963234662 /nfs/dbraw/zinc/23/46/62/963234662.db2.gz PUUWWDXSXAPDRL-HOTGVXAUSA-N 2 0 289.423 1.938 10 0 CDAERP CC[C@H](F)CN1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001438198292 963359464 /nfs/dbraw/zinc/35/94/64/963359464.db2.gz ZSIUDJSKHHVDAH-AVGNSLFASA-N 2 0 273.396 1.265 10 0 CDAERP CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001438767569 963546076 /nfs/dbraw/zinc/54/60/76/963546076.db2.gz IOLJIZDFJJDMCO-GJZGRUSLSA-N 2 0 293.455 1.709 10 0 CDAERP CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001438767563 963546198 /nfs/dbraw/zinc/54/61/98/963546198.db2.gz IOLJIZDFJJDMCO-CABCVRRESA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)[NH2+]C[C@H](NC(=O)C[N@H+](C)C(C)C)C1CCCC1 ZINC001439817374 963867604 /nfs/dbraw/zinc/86/76/04/963867604.db2.gz WAIZSVNSBLRDQP-HNNXBMFYSA-N 2 0 283.460 2.000 10 0 CDAERP C[NH+](C)C(C)(C)CNC(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC001440350473 963995247 /nfs/dbraw/zinc/99/52/47/963995247.db2.gz BKFQZSDYXDAAJP-UHFFFAOYSA-N 2 0 293.411 1.945 10 0 CDAERP C[C@@H]([NH2+]CCO)[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001440799401 964189065 /nfs/dbraw/zinc/18/90/65/964189065.db2.gz BWGUDQQPYGEABP-OLZOCXBDSA-N 2 0 299.459 1.115 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)OCC[C@@H]1CC[NH+](C)C1 ZINC001344063676 964223782 /nfs/dbraw/zinc/22/37/82/964223782.db2.gz REGLSOAYQCQVTP-KBPBESRZSA-N 2 0 268.401 1.744 10 0 CDAERP CC[NH2+][C@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001441361501 964475151 /nfs/dbraw/zinc/47/51/51/964475151.db2.gz SQSMIDSBPIQLNF-JKSUJKDBSA-N 2 0 289.423 1.890 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@H](C)[NH2+]C(C)C)C1 ZINC001441566836 964594148 /nfs/dbraw/zinc/59/41/48/964594148.db2.gz KYBAUSPFEMCOBE-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)CC[NH+](C)C)C1 ZINC001442492216 965091077 /nfs/dbraw/zinc/09/10/77/965091077.db2.gz UJMGKAOZMOHFKD-GJZGRUSLSA-N 2 0 283.460 1.811 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)NCC[C@@H]1CC[N@H+](CC)C1 ZINC001443248948 965413460 /nfs/dbraw/zinc/41/34/60/965413460.db2.gz JBLFTNRYDGRISX-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)C[C@H](CNC(=O)C1([NH+](C)C)CCCC1)[NH+](C)C ZINC001443429744 965464100 /nfs/dbraw/zinc/46/41/00/965464100.db2.gz YWEIAWJYMPNZFB-CQSZACIVSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC1C[NH+](CC2CC(C)C2)C1 ZINC001443652163 965548914 /nfs/dbraw/zinc/54/89/14/965548914.db2.gz IOVISHCWKVBKEJ-UHFFFAOYSA-N 2 0 281.444 1.421 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CCF ZINC001443933918 965673409 /nfs/dbraw/zinc/67/34/09/965673409.db2.gz MXHPYQNOVDZJGW-ZFWWWQNUSA-N 2 0 299.434 1.847 10 0 CDAERP C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C[NH2+]CC1CC1 ZINC001444321528 965792599 /nfs/dbraw/zinc/79/25/99/965792599.db2.gz DLTGLBFNKRMHSQ-UKRRQHHQSA-N 2 0 281.444 1.613 10 0 CDAERP CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001446597124 966595104 /nfs/dbraw/zinc/59/51/04/966595104.db2.gz AGUBPZOKPGMIJS-GDBMZVCRSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001447154279 966710285 /nfs/dbraw/zinc/71/02/85/966710285.db2.gz HRLPVMLMFYUBKU-RBSFLKMASA-N 2 0 299.434 1.799 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H](CO)CC(F)(F)F)C1 ZINC001350955152 966806180 /nfs/dbraw/zinc/80/61/80/966806180.db2.gz GSFBWJWSSPCFNN-OPRDCNLKSA-N 2 0 268.323 1.795 10 0 CDAERP CC[NH2+][C@H](C)CN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001448732753 967226020 /nfs/dbraw/zinc/22/60/20/967226020.db2.gz ZISYLQVVJDSEFD-IUODEOHRSA-N 2 0 287.423 1.655 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC[N@H+](C)C2CC2)C1 ZINC001544050778 967334321 /nfs/dbraw/zinc/33/43/21/967334321.db2.gz NCJDOHKYPBNZMP-GXTWGEPZSA-N 2 0 267.417 1.317 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C(C)C)[C@H]2C1 ZINC001449036817 967344002 /nfs/dbraw/zinc/34/40/02/967344002.db2.gz IPTXLEBVHSXZIZ-JYJNAYRXSA-N 2 0 295.471 1.953 10 0 CDAERP COC(=O)c1cccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC001353942246 968360430 /nfs/dbraw/zinc/36/04/30/968360430.db2.gz AQXULQZQKHCASE-RISCZKNCSA-N 2 0 262.353 1.418 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC001472262908 968495802 /nfs/dbraw/zinc/49/58/02/968495802.db2.gz GATRQSMZLCPXGZ-ZDUSSCGKSA-N 2 0 271.449 1.620 10 0 CDAERP CCn1cccc1C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001457663657 969194245 /nfs/dbraw/zinc/19/42/45/969194245.db2.gz WXWUERZAULHIJH-UHFFFAOYSA-N 2 0 280.416 1.073 10 0 CDAERP C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001457770941 969219590 /nfs/dbraw/zinc/21/95/90/969219590.db2.gz DLPSVQWFXXQCGS-KFWWJZLASA-N 2 0 281.444 1.707 10 0 CDAERP CC[N@@H+]1CC[C@@H]1C(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC001465664286 969887891 /nfs/dbraw/zinc/88/78/91/969887891.db2.gz NWSWJSYEJHDANI-LSDHHAIUSA-N 2 0 279.428 1.271 10 0 CDAERP CC[N@@H+]1CC[C@@H]1C(=O)N1CCC(C(C)(C)C[NH+](C)C)CC1 ZINC001468186678 970132108 /nfs/dbraw/zinc/13/21/08/970132108.db2.gz WBDZBJHQEDWUHE-OAHLLOKOSA-N 2 0 295.471 1.907 10 0 CDAERP C[C@H](CNC(=O)CC[N@@H+]1CC[C@H](F)C1)[NH+]1CCCC[C@H]1C ZINC001361652957 970385946 /nfs/dbraw/zinc/38/59/46/970385946.db2.gz YLVREFGNHJHEMJ-KFWWJZLASA-N 2 0 299.434 1.799 10 0 CDAERP C[C@H](CNC(=O)CC[N@@H+]1CC[C@H](F)C1)[NH+]1CCC[C@@H](C)C1 ZINC001361803156 970548432 /nfs/dbraw/zinc/54/84/32/970548432.db2.gz MARPIHKIMZSJLB-KFWWJZLASA-N 2 0 299.434 1.657 10 0 CDAERP CC[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+](C(C)C)C2)CC1 ZINC001361933233 970690549 /nfs/dbraw/zinc/69/05/49/970690549.db2.gz NBGDXGFIXYBDFB-HNNXBMFYSA-N 2 0 281.444 1.661 10 0 CDAERP CCCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001495692484 972598866 /nfs/dbraw/zinc/59/88/66/972598866.db2.gz JMWLNVVBNDMNQA-ZIAGYGMSSA-N 2 0 269.433 1.613 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001372031680 972758350 /nfs/dbraw/zinc/75/83/50/972758350.db2.gz VGKKZVYIOHAZRM-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H](C[NH2+]CC1CC1)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001496081238 972788511 /nfs/dbraw/zinc/78/85/11/972788511.db2.gz SWVHHZZYBMSUHT-UKRRQHHQSA-N 2 0 281.444 1.707 10 0 CDAERP C[NH+](C)CCC(=O)NCC[N@H+](C)C/C=C\c1ccccc1 ZINC001372160834 972822235 /nfs/dbraw/zinc/82/22/35/972822235.db2.gz PZGHIEKLSYJPFL-YFHOEESVSA-N 2 0 289.423 1.700 10 0 CDAERP CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C(C)C ZINC001496575601 972976291 /nfs/dbraw/zinc/97/62/91/972976291.db2.gz PZKJBSBDTVJERA-LSDHHAIUSA-N 2 0 283.460 1.857 10 0 CDAERP C[NH+](C)C1(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CCCC1 ZINC001417670060 973264143 /nfs/dbraw/zinc/26/41/43/973264143.db2.gz XDHFRBVLMSCWSR-HUUCEWRRSA-N 2 0 293.455 1.804 10 0 CDAERP CC1CC(C[NH2+]C/C=C\CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001497660940 973453977 /nfs/dbraw/zinc/45/39/77/973453977.db2.gz LXOBABPTFVHHPF-PLNGDYQASA-N 2 0 293.455 1.636 10 0 CDAERP CC1CC(C[NH2+]C/C=C/CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001497660941 973454231 /nfs/dbraw/zinc/45/42/31/973454231.db2.gz LXOBABPTFVHHPF-SNAWJCMRSA-N 2 0 293.455 1.636 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001417947029 973492128 /nfs/dbraw/zinc/49/21/28/973492128.db2.gz CYJAVOSHFIDBOF-OAHLLOKOSA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)[NH+]1CCCC1 ZINC001373651476 973545223 /nfs/dbraw/zinc/54/52/23/973545223.db2.gz JTAQSOOGBNMJDD-HZPDHXFCSA-N 2 0 293.455 1.707 10 0 CDAERP CC(C)[NH2+][C@H](C)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001418277412 973721271 /nfs/dbraw/zinc/72/12/71/973721271.db2.gz WBBCMXYODQBPNL-DOMZBBRYSA-N 2 0 287.423 1.702 10 0 CDAERP CCc1nocc1C[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001418315817 973745806 /nfs/dbraw/zinc/74/58/06/973745806.db2.gz YYERAVYAAGGSLZ-LBPRGKRZSA-N 2 0 296.415 1.172 10 0 CDAERP CC[C@H](C)C[N@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001498391518 973880241 /nfs/dbraw/zinc/88/02/41/973880241.db2.gz AFTCAGPSZDYLAF-QWHCGFSZSA-N 2 0 257.422 1.421 10 0 CDAERP CO[C@H](C)C[NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001498601431 973995493 /nfs/dbraw/zinc/99/54/93/973995493.db2.gz PJQQAPOVDHHMAA-ZNMIVQPWSA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1cccnc1)[NH+](C)C ZINC001374777706 974114564 /nfs/dbraw/zinc/11/45/64/974114564.db2.gz WMEWFAIRJFHSMT-TZMCWYRMSA-N 2 0 278.400 1.016 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001498991819 974149745 /nfs/dbraw/zinc/14/97/45/974149745.db2.gz SCZLPPKONLLWCW-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]1CC[N@@H+]1CC1CCCC1)[NH+](C)C ZINC001375319504 974332248 /nfs/dbraw/zinc/33/22/48/974332248.db2.gz LDNUSNBCVIBDDA-LSDHHAIUSA-N 2 0 281.444 1.707 10 0 CDAERP COCCC[NH+]1CCC(C)(NC(=O)CCC[NH+](C)C)CC1 ZINC001499993890 974350950 /nfs/dbraw/zinc/35/09/50/974350950.db2.gz DYYCIEVCVXKAQC-UHFFFAOYSA-N 2 0 299.459 1.335 10 0 CDAERP CC[C@@H](C)C[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001375420480 974375862 /nfs/dbraw/zinc/37/58/62/974375862.db2.gz KGRALELKGNDQHR-HIFRSBDPSA-N 2 0 293.455 1.613 10 0 CDAERP CCC[NH2+][C@H]1C[C@@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001375494562 974404992 /nfs/dbraw/zinc/40/49/92/974404992.db2.gz KKRGLXVNGGHURU-ZNMIVQPWSA-N 2 0 281.444 1.755 10 0 CDAERP CCC[N@H+](C)CC(=O)NCC1([NH2+]CC2CCCC2)CC1 ZINC001375529847 974414054 /nfs/dbraw/zinc/41/40/54/974414054.db2.gz KFPJABCCESXHAJ-UHFFFAOYSA-N 2 0 281.444 1.757 10 0 CDAERP CCC[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CCOCC1 ZINC001500572100 974451745 /nfs/dbraw/zinc/45/17/45/974451745.db2.gz DXDRGLABHIOZQK-UHFFFAOYSA-N 2 0 297.443 1.136 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]CC1CCC1 ZINC001375766666 974472749 /nfs/dbraw/zinc/47/27/49/974472749.db2.gz DHIGYSSPUOLIFD-OAHLLOKOSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@H](C(=O)NC[C@H]([NH2+]CC1CCC1)C1CC1)[NH+](C)C ZINC001376265141 974615883 /nfs/dbraw/zinc/61/58/83/974615883.db2.gz VMEGSALAXLAJSJ-LSDHHAIUSA-N 2 0 281.444 1.611 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CCC[NH+](CCF)C1 ZINC001376511271 974678509 /nfs/dbraw/zinc/67/85/09/974678509.db2.gz PSHJWTIEUXZPTP-LSDHHAIUSA-N 2 0 299.434 1.659 10 0 CDAERP C[C@@H](O)CCC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001376574753 974690787 /nfs/dbraw/zinc/69/07/87/974690787.db2.gz HYHZCZGCNVEUPQ-HUUCEWRRSA-N 2 0 299.459 1.070 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001376609522 974695993 /nfs/dbraw/zinc/69/59/93/974695993.db2.gz KYJHLOKACLXPGA-CABCVRRESA-N 2 0 299.434 1.801 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CCC[C@H](C)O)C1)[NH+](C)C ZINC001502671424 974760997 /nfs/dbraw/zinc/76/09/97/974760997.db2.gz FWRLFSAKQIXOHO-RRFJBIMHSA-N 2 0 299.459 1.068 10 0 CDAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccccc1 ZINC001376797354 974773044 /nfs/dbraw/zinc/77/30/44/974773044.db2.gz FLKOGIGKFVXHGU-CABCVRRESA-N 2 0 289.423 1.623 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CCF ZINC001377426299 975021498 /nfs/dbraw/zinc/02/14/98/975021498.db2.gz IAVGQEIAHBLWRI-STQMWFEESA-N 2 0 273.396 1.313 10 0 CDAERP Cc1cccnc1C[N@@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001505993264 975075318 /nfs/dbraw/zinc/07/53/18/975075318.db2.gz SARNFHUIAQEJOH-CQSZACIVSA-N 2 0 292.427 1.278 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)N(C)C/C=C/Cl ZINC001505994757 975075344 /nfs/dbraw/zinc/07/53/44/975075344.db2.gz KEYRYTLTKDMUEI-OKPNEXGHSA-N 2 0 261.797 1.127 10 0 CDAERP CCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]1CC[N@H+](CCOC)C1 ZINC001377665016 975105600 /nfs/dbraw/zinc/10/56/00/975105600.db2.gz TYIKGFWPULVFCO-HUUCEWRRSA-N 2 0 299.459 1.286 10 0 CDAERP CCCC[C@@H](C[NH2+]CC1CC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001506554379 975179155 /nfs/dbraw/zinc/17/91/55/975179155.db2.gz WJOFRAQEFQDYSR-CABCVRRESA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@@H](C)C[NH+]1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001377981694 975192359 /nfs/dbraw/zinc/19/23/59/975192359.db2.gz ASHXGAPRBQBSGL-CYBMUJFWSA-N 2 0 281.444 1.422 10 0 CDAERP CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)[NH2+]Cc1nccs1 ZINC001378312891 975328021 /nfs/dbraw/zinc/32/80/21/975328021.db2.gz BSEOJUWIRIPPFL-VXGBXAGGSA-N 2 0 298.456 1.468 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]CC1CCCC1 ZINC001507150831 975355946 /nfs/dbraw/zinc/35/59/46/975355946.db2.gz DAEOWVGGUNSLFQ-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[NH2+][C@H](CO)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001507212281 975373300 /nfs/dbraw/zinc/37/33/00/975373300.db2.gz UBBCLVPCKCONEE-ZDUSSCGKSA-N 2 0 299.459 1.116 10 0 CDAERP CCCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCC)[C@@H]1C ZINC001507293676 975402039 /nfs/dbraw/zinc/40/20/39/975402039.db2.gz UZSOAZGFLNYGTE-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]CCCF)C[C@H]1C ZINC001507338183 975423049 /nfs/dbraw/zinc/42/30/49/975423049.db2.gz IGOLICWLLNFSKE-CHWSQXEVSA-N 2 0 273.396 1.265 10 0 CDAERP CCC[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)CC)CCC[C@H]12 ZINC001507350888 975427019 /nfs/dbraw/zinc/42/70/19/975427019.db2.gz CKDHBDBJCDWYRQ-HOCLYGCPSA-N 2 0 281.444 1.851 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+]C[C@@H]1CCCOC1 ZINC001378645729 975427613 /nfs/dbraw/zinc/42/76/13/975427613.db2.gz VTSXKESGLTWTIQ-CABCVRRESA-N 2 0 299.459 1.095 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001507404813 975456039 /nfs/dbraw/zinc/45/60/39/975456039.db2.gz WVHYHJKXSSQBHY-CABCVRRESA-N 2 0 293.455 1.899 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CC[C@H]1CCCO1 ZINC001397251039 975515620 /nfs/dbraw/zinc/51/56/20/975515620.db2.gz JDVGBODUCQSGNO-KFWWJZLASA-N 2 0 297.443 1.086 10 0 CDAERP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1[NH2+]C/C=C\Cl ZINC001378893395 975530802 /nfs/dbraw/zinc/53/08/02/975530802.db2.gz BEQTWZICGRFKBP-BVUKWYMNSA-N 2 0 299.846 1.661 10 0 CDAERP CC(C)CC[NH+]1CC(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001404927628 975543552 /nfs/dbraw/zinc/54/35/52/975543552.db2.gz IXZHOWBMXNAWSE-GJZGRUSLSA-N 2 0 295.471 1.953 10 0 CDAERP CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001388758879 975580865 /nfs/dbraw/zinc/58/08/65/975580865.db2.gz LJTUJEKOHKSVIX-ZNMIVQPWSA-N 2 0 283.460 1.857 10 0 CDAERP CC[C@@H](F)C[NH2+]C1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001508148546 975622987 /nfs/dbraw/zinc/62/29/87/975622987.db2.gz XPACAMPYCIMTES-IYXRBSQSSA-N 2 0 285.407 1.409 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC1(C2CC[NH+](CCF)CC2)CC1 ZINC001508161895 975625350 /nfs/dbraw/zinc/62/53/50/975625350.db2.gz IMMWMXYQIXFPTH-UHFFFAOYSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)[N@H+](C)CCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001379128883 975678899 /nfs/dbraw/zinc/67/88/99/975678899.db2.gz YVOMMCAWBKYAGC-GJZGRUSLSA-N 2 0 283.460 1.905 10 0 CDAERP C[N@H+](CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CC2)C1)C1CCC1 ZINC001397687237 975680209 /nfs/dbraw/zinc/68/02/09/975680209.db2.gz RHXMCLUETHJYTD-LSDHHAIUSA-N 2 0 293.455 1.755 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1ccccc1)[NH+](C)C ZINC001401632500 975751203 /nfs/dbraw/zinc/75/12/03/975751203.db2.gz HFQABZOLDGTCIF-UKRRQHHQSA-N 2 0 277.412 1.621 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1cccc(F)c1 ZINC001401665942 975772357 /nfs/dbraw/zinc/77/23/57/975772357.db2.gz GODYIRNLONNTDK-CYBMUJFWSA-N 2 0 295.402 1.760 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001401699577 975808221 /nfs/dbraw/zinc/80/82/21/975808221.db2.gz GLRDTNMIDGPXAJ-NWDGAFQWSA-N 2 0 273.396 1.171 10 0 CDAERP Cc1cc(C[NH2+]C[C@H](C)CNC(=O)CC[NH+](C)C)sn1 ZINC001405704005 975823989 /nfs/dbraw/zinc/82/39/89/975823989.db2.gz ZBLMLMUIMFJSAK-NSHDSACASA-N 2 0 298.456 1.245 10 0 CDAERP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@@H+](C)CC[C@H](C)F ZINC001401827333 975939115 /nfs/dbraw/zinc/93/91/15/975939115.db2.gz PFFHYUPWNPWQNA-STQMWFEESA-N 2 0 275.412 1.511 10 0 CDAERP CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001389747061 975968912 /nfs/dbraw/zinc/96/89/12/975968912.db2.gz QROPABQDDZJYDM-JKSUJKDBSA-N 2 0 295.471 1.909 10 0 CDAERP CC(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001398469857 976000004 /nfs/dbraw/zinc/00/00/04/976000004.db2.gz HJXALXLLTQCPHO-HNNXBMFYSA-N 2 0 283.460 1.765 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001406133402 976055375 /nfs/dbraw/zinc/05/53/75/976055375.db2.gz ZFPANKWJPXRIAY-HUUCEWRRSA-N 2 0 283.460 1.765 10 0 CDAERP CCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001401980023 976056309 /nfs/dbraw/zinc/05/63/09/976056309.db2.gz VDWFYKGYHUAFDF-KBPBESRZSA-N 2 0 281.444 1.755 10 0 CDAERP CCC[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001390012101 976085054 /nfs/dbraw/zinc/08/50/54/976085054.db2.gz KDLUQCILIWUHHF-GASCZTMLSA-N 2 0 281.444 1.899 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+](C)C(C)C)C1 ZINC001390166327 976153053 /nfs/dbraw/zinc/15/30/53/976153053.db2.gz ZMTKHDYDZRCQPZ-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP Cc1ccccc1C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001406563817 976258669 /nfs/dbraw/zinc/25/86/69/976258669.db2.gz QTQWKPWPBSWPTC-HOCLYGCPSA-N 2 0 289.423 1.541 10 0 CDAERP Cc1ccc(C[NH2+][C@@H](C)CNC(=O)CC[NH+](C)C)c(C)n1 ZINC001390468260 976311402 /nfs/dbraw/zinc/31/14/02/976311402.db2.gz OVXYHPUWXKHFPL-ZDUSSCGKSA-N 2 0 292.427 1.244 10 0 CDAERP CC(C)[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001402491222 976312864 /nfs/dbraw/zinc/31/28/64/976312864.db2.gz ZKDIDJXOYLEBKN-ZBFHGGJFSA-N 2 0 293.455 1.565 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC(C)C)C1 ZINC001390606540 976387847 /nfs/dbraw/zinc/38/78/47/976387847.db2.gz RJFBEMRPJSKTBS-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]C(C)C ZINC001390674565 976430894 /nfs/dbraw/zinc/43/08/94/976430894.db2.gz QGMOWETUQYITQS-GJZGRUSLSA-N 2 0 283.460 2.000 10 0 CDAERP CC[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ocnc1C)[NH+](C)C ZINC001399375678 976461414 /nfs/dbraw/zinc/46/14/14/976461414.db2.gz NUMGMHUMDOODQJ-DGCLKSJQSA-N 2 0 296.415 1.308 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001402788856 976482503 /nfs/dbraw/zinc/48/25/03/976482503.db2.gz COMUGFOMSGSLFF-AWEZNQCLSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001402790740 976482730 /nfs/dbraw/zinc/48/27/30/976482730.db2.gz SEZCIKBXEYQOHM-CABCVRRESA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H](F)CC[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001406957845 976492129 /nfs/dbraw/zinc/49/21/29/976492129.db2.gz MFGZAZHJFYXCCW-CHWSQXEVSA-N 2 0 285.407 1.315 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N(C)C1C[NH+](CC2CCC2)C1 ZINC001407046712 976525959 /nfs/dbraw/zinc/52/59/59/976525959.db2.gz DZSGEWPOJKWKKK-HNNXBMFYSA-N 2 0 299.434 1.609 10 0 CDAERP CC(C)CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001391069127 976670714 /nfs/dbraw/zinc/67/07/14/976670714.db2.gz LDZDMMINISRQFN-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCF)C2 ZINC001407471067 976672401 /nfs/dbraw/zinc/67/24/01/976672401.db2.gz HBYAFPPKZNUTLO-IHRRRGAJSA-N 2 0 285.407 1.267 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)CCOC ZINC001399783447 976679662 /nfs/dbraw/zinc/67/96/62/976679662.db2.gz FBTMLCHYEWARLB-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CC[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)CC1CC(C)C1 ZINC001399811360 976685521 /nfs/dbraw/zinc/68/55/21/976685521.db2.gz OVMBNRXANQUDFA-PCKAHOCUSA-N 2 0 295.471 1.812 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1C[C@@H]1CCCCO1 ZINC001399871002 976710299 /nfs/dbraw/zinc/71/02/99/976710299.db2.gz SQSHRSWRYUUCKI-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1C/C=C/Cl ZINC001399875613 976712287 /nfs/dbraw/zinc/71/22/87/976712287.db2.gz WNUFAEPKEZCMBV-RPTYSRGTSA-N 2 0 273.808 1.271 10 0 CDAERP CC1CC(C[N@@H+]2CCC[C@@H]2CNC(=O)C[NH+]2CCCC2)C1 ZINC001399898086 976731731 /nfs/dbraw/zinc/73/17/31/976731731.db2.gz NLJTZACXJGQEJQ-UYSNPLJNSA-N 2 0 293.455 1.709 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](C)CCCF)CC[N@@H+]1C ZINC001403116960 976734986 /nfs/dbraw/zinc/73/49/86/976734986.db2.gz ANONENLCMVJDEZ-HZSPNIEDSA-N 2 0 287.423 1.513 10 0 CDAERP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+]1CC[C@@H](C)F ZINC001399903160 976737365 /nfs/dbraw/zinc/73/73/65/976737365.db2.gz VOVSASOJLGIFAK-KGLIPLIRSA-N 2 0 287.423 1.655 10 0 CDAERP CCCC[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)C1CC1 ZINC001400034351 976816310 /nfs/dbraw/zinc/81/63/10/976816310.db2.gz WMTYVRRBKFRTAY-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)[NH2+]CC1(NC(=O)[C@H]2CCC[N@@H+]2C)CCCCC1 ZINC001403269374 976845025 /nfs/dbraw/zinc/84/50/25/976845025.db2.gz HUGGRRZXUKWQHS-CQSZACIVSA-N 2 0 281.444 1.898 10 0 CDAERP CC1CCC(C[NH+]2CC(NC(=O)CCC[NH+](C)C)C2)CC1 ZINC001391438533 976882982 /nfs/dbraw/zinc/88/29/82/976882982.db2.gz DDGKBNQSYDGUEP-UHFFFAOYSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@H]2C[C@H](C[NH2+]CC3CCC3)C2)CCC1 ZINC001403412425 976940743 /nfs/dbraw/zinc/94/07/43/976940743.db2.gz GNTHLPANCYPJGC-SHTZXODSSA-N 2 0 293.455 1.755 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]CC2CC(C)C2)C1 ZINC001403463201 976968036 /nfs/dbraw/zinc/96/80/36/976968036.db2.gz PBRVKEGYDRKVBL-QJKUTOJQSA-N 2 0 295.471 1.859 10 0 CDAERP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccns1 ZINC001403472996 976976147 /nfs/dbraw/zinc/97/61/47/976976147.db2.gz YNUURMPZBOWNTD-GFCCVEGCSA-N 2 0 296.440 1.223 10 0 CDAERP CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001408331388 977010522 /nfs/dbraw/zinc/01/05/22/977010522.db2.gz RSYXAIRSPPQATO-INIZCTEOSA-N 2 0 295.471 1.909 10 0 CDAERP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCC1CC1 ZINC001403556931 977061988 /nfs/dbraw/zinc/06/19/88/977061988.db2.gz MDEFVCKQIDQLGM-UMVBOHGHSA-N 2 0 281.444 1.563 10 0 CDAERP C[C@@H]1[C@H](C(=O)NCC[NH+](C)CC2CCCC2)CC[N@@H+]1C ZINC001403569909 977073992 /nfs/dbraw/zinc/07/39/92/977073992.db2.gz WRILSBHKESCNQI-UKRRQHHQSA-N 2 0 281.444 1.565 10 0 CDAERP Cc1ncsc1C[NH2+][C@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001403594349 977091266 /nfs/dbraw/zinc/09/12/66/977091266.db2.gz RXJDWMLMMJVYHY-LLVKDONJSA-N 2 0 298.456 1.340 10 0 CDAERP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]CC1CC(C)(C)C1 ZINC001391966259 977166641 /nfs/dbraw/zinc/16/66/41/977166641.db2.gz VAYUZJPLQNVGFN-AWEZNQCLSA-N 2 0 295.471 1.860 10 0 CDAERP CC(C)CC[N@H+](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001403790616 977191556 /nfs/dbraw/zinc/19/15/56/977191556.db2.gz WFEOQQUYAHBRDC-UHFFFAOYSA-N 2 0 283.460 1.957 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001392073959 977210965 /nfs/dbraw/zinc/21/09/65/977210965.db2.gz IQYUKYQRAVONKX-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC1CCCC1 ZINC001400833536 977217321 /nfs/dbraw/zinc/21/73/21/977217321.db2.gz RMMAPIDVILQPEM-LSDHHAIUSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H](C[NH2+]CC1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001392103962 977220366 /nfs/dbraw/zinc/22/03/66/977220366.db2.gz OFHLKPABTMUVPV-GUTXKFCHSA-N 2 0 281.444 1.563 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001404011530 977307721 /nfs/dbraw/zinc/30/77/21/977307721.db2.gz PRVZMTIDBWYTOV-MRXNPFEDSA-N 2 0 289.423 1.719 10 0 CDAERP CC(C)[NH+]1CCC([C@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001382562562 977308160 /nfs/dbraw/zinc/30/81/60/977308160.db2.gz BFVHPJUOGYCNQN-GJZGRUSLSA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@H](C(=O)NC1(C2CC[NH+](CC)CC2)CC1)[NH+](C)C ZINC001382592162 977315248 /nfs/dbraw/zinc/31/52/48/977315248.db2.gz GASXJRKKBRDAJT-CQSZACIVSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)C[N@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001492817873 977684674 /nfs/dbraw/zinc/68/46/74/977684674.db2.gz XESSTNVOYDJLHN-ZDUSSCGKSA-N 2 0 255.406 1.032 10 0 CDAERP C[C@@H](F)CC[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001393414081 977782395 /nfs/dbraw/zinc/78/23/95/977782395.db2.gz DEGCBHJFHZVVOR-MCIONIFRSA-N 2 0 285.407 1.076 10 0 CDAERP CC(C)C[NH2+]CC1CC(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001393908222 977956327 /nfs/dbraw/zinc/95/63/27/977956327.db2.gz JKSLBLXAUDZNKE-UHFFFAOYSA-N 2 0 295.471 1.859 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@]12CCC[C@@H]1[NH+](CC)CC2 ZINC001394696816 978236322 /nfs/dbraw/zinc/23/63/22/978236322.db2.gz ZIDLFBNFLLJYSL-HOCLYGCPSA-N 2 0 281.444 1.851 10 0 CDAERP CC1(C)CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]C/C=C\Cl ZINC001394713072 978236749 /nfs/dbraw/zinc/23/67/49/978236749.db2.gz JGYOMBSYYFFYPE-CFHLNLSMSA-N 2 0 299.846 1.661 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]C[C@@H]1CCOC1)C(C)(C)C ZINC001394837222 978280277 /nfs/dbraw/zinc/28/02/77/978280277.db2.gz YZMWWLWWBWIZKT-UONOGXRCSA-N 2 0 299.459 1.095 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001674233568 1173926818 /nfs/dbraw/zinc/92/68/18/1173926818.db2.gz UTRFMUHFCOUJDX-GJZGRUSLSA-N 2 0 281.444 1.779 10 0 CDAERP C[C@H](O)C[N@H+](C)C[C@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001674496324 1173953950 /nfs/dbraw/zinc/95/39/50/1173953950.db2.gz WBDVIBGAWIJSMA-LSDHHAIUSA-N 2 0 299.459 1.022 10 0 CDAERP C[C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCCC2)CC[N@@H+]1C ZINC001620943907 1174170129 /nfs/dbraw/zinc/17/01/29/1174170129.db2.gz HHWFQXTXIULMTE-STQMWFEESA-N 2 0 267.417 1.460 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]C/C=C/Cl)C(C)(C)C ZINC001677282534 1174344801 /nfs/dbraw/zinc/34/48/01/1174344801.db2.gz VEEAPWOZSNWHNE-WAFBPQNNSA-N 2 0 289.851 1.811 10 0 CDAERP C[C@@H](O)C[NH2+]C1(C)CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001570384500 1170148006 /nfs/dbraw/zinc/14/80/06/1170148006.db2.gz MMEGQZZJPSOVBD-CQSZACIVSA-N 2 0 299.459 1.070 10 0 CDAERP CC[C@H](C(=O)NC1(C[NH2+]CCOC)CCCCC1)[NH+](C)C ZINC001570796957 1170280618 /nfs/dbraw/zinc/28/06/18/1170280618.db2.gz BEPMQDARYSMLGZ-CQSZACIVSA-N 2 0 299.459 1.382 10 0 CDAERP CCN1CCCC[C@@H]1C(=O)OC[C@]1(C)C[C@@H](OC)C[N@@H+]1C ZINC001650482717 1171116056 /nfs/dbraw/zinc/11/60/56/1171116056.db2.gz IFAYFIOPBBTINL-FMKPAKJESA-N 2 0 298.427 1.513 10 0 CDAERP CCN(C(=O)C[NH+](CC)CC)[C@@H]1CC[N@H+](CC)C1 ZINC000617927748 342480212 /nfs/dbraw/zinc/48/02/12/342480212.db2.gz BYICFQOYLVKLKJ-CYBMUJFWSA-N 2 0 255.406 1.271 10 0 CDAERP C[C@@H](CNC(=O)N[C@@H]1CCC[N@H+](C)C1)C[NH+]1CCCC1 ZINC000618556682 349482853 /nfs/dbraw/zinc/48/28/53/349482853.db2.gz HWOKYHRGUVEYEM-UONOGXRCSA-N 2 0 282.432 1.112 10 0 CDAERP C[N@@H+](Cc1ccc[nH+]c1NN)C[C@@H]1CCCOC1 ZINC000082545325 178088996 /nfs/dbraw/zinc/08/89/96/178088996.db2.gz OWMVOGFKJQKTBO-NSHDSACASA-N 2 0 250.346 1.226 10 0 CDAERP C[C@H](NC[C@@H](O)C[N@H+](C)C1CC1)c1ccc2c(c1)OCO2 ZINC000351572483 361768407 /nfs/dbraw/zinc/76/84/07/361768407.db2.gz DJONUYZAABBKEA-SMDDNHRTSA-N 2 0 292.379 1.521 10 0 CDAERP C[NH2+][C@@H]1CCN(c2cc[nH+]c(NC3CCOCC3)c2)C1 ZINC000116603673 342045666 /nfs/dbraw/zinc/04/56/66/342045666.db2.gz IPWSPKPLVXGSQI-CYBMUJFWSA-N 2 0 276.384 1.471 10 0 CDAERP c1cc(N2CC[NH+](CCOC3CCOCC3)CC2)cc[nH+]1 ZINC000625218310 342042775 /nfs/dbraw/zinc/04/27/75/342042775.db2.gz LAKBVEFXVUFBCP-UHFFFAOYSA-N 2 0 291.395 1.399 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[NH+](C(C)(C)C)C2)CC[N@@H+]1C ZINC000617001077 342601662 /nfs/dbraw/zinc/60/16/62/342601662.db2.gz IDILPNFMMJWBIO-ZNMIVQPWSA-N 2 0 295.471 1.953 10 0 CDAERP CC[NH+](CC)CCC[C@@H](C)NC(=O)CC(F)(F)CN ZINC000565149048 361890364 /nfs/dbraw/zinc/89/03/64/361890364.db2.gz ZUJUOOJIWHBIHX-LLVKDONJSA-N 2 0 279.375 1.597 10 0 CDAERP CN(C[C@@H](O)C[NH2+][C@@]1(CO)CCCC(C)(C)C1)C1CC1 ZINC000625836424 342203275 /nfs/dbraw/zinc/20/32/75/342203275.db2.gz GEOYRFLOCASYGS-HOCLYGCPSA-N 2 0 284.444 1.362 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](c1ccc(C)cc1)N(C)C ZINC000422794159 536596496 /nfs/dbraw/zinc/59/64/96/536596496.db2.gz YRGGFLUZIJCXFT-IAGOWNOFSA-N 2 0 293.455 1.941 10 0 CDAERP C[N@H+](C[C@@H](O)CN1CCOC[C@@H]1CC1CCC1)C1CC1 ZINC000339777144 361935944 /nfs/dbraw/zinc/93/59/44/361935944.db2.gz MZCHZSRAMBFREJ-JKSUJKDBSA-N 2 0 282.428 1.333 10 0 CDAERP C[NH2+]Cc1cccc(NC(=O)[C@@H]([NH3+])COC(C)C)c1 ZINC000659302470 412493951 /nfs/dbraw/zinc/49/39/51/412493951.db2.gz HAOOUHDTJDWXBQ-ZDUSSCGKSA-N 2 0 265.357 1.097 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1C[C@H](OC)C12CCC2 ZINC000423172152 293097889 /nfs/dbraw/zinc/09/78/89/293097889.db2.gz RPIAKCRRHUWESZ-AVGNSLFASA-N 2 0 256.390 1.288 10 0 CDAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000263142332 361990836 /nfs/dbraw/zinc/99/08/36/361990836.db2.gz CKNZLOPTBXHWLT-DLBZAZTESA-N 2 0 283.375 1.419 10 0 CDAERP CCC[C@H](C[NH3+])[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000669377076 539072054 /nfs/dbraw/zinc/07/20/54/539072054.db2.gz FXHCWNLENRIMKJ-CVEARBPZSA-N 2 0 262.397 1.998 10 0 CDAERP COc1ccc(C[N@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)cc1C ZINC000662258426 539115476 /nfs/dbraw/zinc/11/54/76/539115476.db2.gz UQMZJNRENAWNIT-OAHLLOKOSA-N 2 0 290.407 1.956 10 0 CDAERP C(CC[NH+]1CCOCC1)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166177761 539129161 /nfs/dbraw/zinc/12/91/61/539129161.db2.gz BSGUGLZYTHZNSL-JKSUJKDBSA-N 2 0 281.444 1.315 10 0 CDAERP COC[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000182218948 536732685 /nfs/dbraw/zinc/73/26/85/536732685.db2.gz XDRBJPSKACFVIB-HOTGVXAUSA-N 2 0 284.444 1.582 10 0 CDAERP CC[NH+](CC)CCC[NH2+][C@H](C)[C@@H]1C[C@@H]1C(=O)OC ZINC000594929282 342974510 /nfs/dbraw/zinc/97/45/10/342974510.db2.gz TVGZHBDGCDHQFW-AGIUHOORSA-N 2 0 256.390 1.506 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000594918391 342985919 /nfs/dbraw/zinc/98/59/19/342985919.db2.gz QXODPPVOHPFGGM-KCPJHIHWSA-N 2 0 280.412 1.791 10 0 CDAERP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H](C)CSCCF)CC1 ZINC000595021624 342996239 /nfs/dbraw/zinc/99/62/39/342996239.db2.gz QKFBFVZNUVFQFG-ZDUSSCGKSA-N 2 0 292.464 1.903 10 0 CDAERP COc1cc(C)nc(CN2CCC([NH+](C)C)CC2)c1 ZINC000339844583 362090796 /nfs/dbraw/zinc/09/07/96/362090796.db2.gz YZCKZXSLIBIGRL-UHFFFAOYSA-N 2 0 263.385 1.925 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000074152708 1172024579 /nfs/dbraw/zinc/02/45/79/1172024579.db2.gz RXDAWENQPASVHH-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1COc2cccc(C)c2C1 ZINC000629512992 362122573 /nfs/dbraw/zinc/12/25/73/362122573.db2.gz DOAHEYZNFHSZMX-KGLIPLIRSA-N 2 0 278.396 1.642 10 0 CDAERP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCOC2CCOCC2)C1 ZINC000629510880 362125530 /nfs/dbraw/zinc/12/55/30/362125530.db2.gz WJJGKOIMXGWHPA-OLZOCXBDSA-N 2 0 256.390 1.241 10 0 CDAERP C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)OC1CCOCC1 ZINC000629516922 362132560 /nfs/dbraw/zinc/13/25/60/362132560.db2.gz UNPSTMKFVABTEV-HOCLYGCPSA-N 2 0 282.428 1.646 10 0 CDAERP [NH3+]CCCCC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645104211 362117608 /nfs/dbraw/zinc/11/76/08/362117608.db2.gz ISIYKNWFCIFVAB-OLZOCXBDSA-N 2 0 253.390 1.106 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc(OC)cc1F ZINC000629529297 362155776 /nfs/dbraw/zinc/15/57/76/362155776.db2.gz YIYALASMTSRCMP-NSHDSACASA-N 2 0 270.348 1.721 10 0 CDAERP CCO[C@@H]1C[C@@H]([NH2+]CCOCC[NH2+]C)C12CCCCC2 ZINC000629529629 362159020 /nfs/dbraw/zinc/15/90/20/362159020.db2.gz IXQXABQTIPXEAF-HUUCEWRRSA-N 2 0 284.444 1.940 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000629531616 362162644 /nfs/dbraw/zinc/16/26/44/362162644.db2.gz RLEDWTHEYMKTCD-KGLIPLIRSA-N 3 0 257.422 1.123 10 0 CDAERP CC[C@H]([NH2+]CC12CC(C1)C[NH2+]2)C1(C(=O)OC)CCC1 ZINC000596655932 343364129 /nfs/dbraw/zinc/36/41/29/343364129.db2.gz ZVVWXEPBBSTGJX-LXVYMNJGSA-N 2 0 266.385 1.450 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1C[C@H](C)[NH2+]C[C@@H]1C ZINC000262008045 282251629 /nfs/dbraw/zinc/25/16/29/282251629.db2.gz MBWOOMYDRRHXMH-STQMWFEESA-N 2 0 285.395 1.758 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000417854094 282258059 /nfs/dbraw/zinc/25/80/59/282258059.db2.gz PPPWDIZMCHWYIF-KBXIAJHMSA-N 2 0 294.443 1.395 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CC[C@H](C)C2)CC[N@@H+]1C ZINC000631583091 362208269 /nfs/dbraw/zinc/20/82/69/362208269.db2.gz PNKSZURGFPCSAD-MELADBBJSA-N 2 0 267.417 1.175 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000598995468 343936289 /nfs/dbraw/zinc/93/62/89/343936289.db2.gz YCZCWUCSQFYZEH-XJFOESAGSA-N 2 0 268.401 1.506 10 0 CDAERP C[C@H](CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCC[NH2+]C1 ZINC000246681543 343964369 /nfs/dbraw/zinc/96/43/69/343964369.db2.gz VYGAZNKUWBZYGK-AFLMIKJESA-N 2 0 293.455 1.754 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)[C@H]2CCc3nc[nH]c3C2)C[N@@H+]1C1CC1 ZINC000612109165 347024078 /nfs/dbraw/zinc/02/40/78/347024078.db2.gz ZMWQSQZUUKPWRI-WOPDTQHZSA-N 2 0 288.395 1.256 10 0 CDAERP Cc1cc(Cl)cc(C)c1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000263252613 362396407 /nfs/dbraw/zinc/39/64/07/362396407.db2.gz QBQHNZKBDNBCMU-RISCZKNCSA-N 2 0 268.788 1.627 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NC1CC[NH+](C)CC1 ZINC000043180200 344592797 /nfs/dbraw/zinc/59/27/97/344592797.db2.gz AUYQEBHLUWCGML-CYBMUJFWSA-N 2 0 282.432 1.254 10 0 CDAERP CN1CC[NH2+]C[C@H]1c1noc(CC2(C[NH3+])CCCCC2)n1 ZINC000263270638 362414724 /nfs/dbraw/zinc/41/47/24/362414724.db2.gz SCKYCFYFJMPEMW-LBPRGKRZSA-N 2 0 293.415 1.097 10 0 CDAERP C[NH+]1CCN(CCC[NH2+]Cc2nc3ccccc3o2)CC1 ZINC000607394579 345354309 /nfs/dbraw/zinc/35/43/09/345354309.db2.gz OUFVBKZNVWPVJF-UHFFFAOYSA-N 2 0 288.395 1.555 10 0 CDAERP Cc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cc2cccnc12 ZINC000263289360 362585315 /nfs/dbraw/zinc/58/53/15/362585315.db2.gz VMLLZAOKRDGVQA-CABCVRRESA-N 2 0 271.364 1.213 10 0 CDAERP COCC[N@H+](C)CCC[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000623356735 346084463 /nfs/dbraw/zinc/08/44/63/346084463.db2.gz DBENXWDAHDCXNI-QEJZJMRPSA-N 2 0 254.418 1.979 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CCC(=O)N2CCCCC2)CC1(C)C ZINC000623362276 346090203 /nfs/dbraw/zinc/09/02/03/346090203.db2.gz NEXQCUYAAPNXPP-CQSZACIVSA-N 2 0 281.444 1.851 10 0 CDAERP C[NH+]1CCC(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623404344 346172073 /nfs/dbraw/zinc/17/20/73/346172073.db2.gz YGVLIDNRBOCZOQ-AWEZNQCLSA-N 3 0 253.434 1.791 10 0 CDAERP C[C@H](C[C@@](C)(O)C[NH3+])N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000085303250 179011385 /nfs/dbraw/zinc/01/13/85/179011385.db2.gz IFQIWJHFVUBQLB-QLFBSQMISA-N 2 0 269.433 1.035 10 0 CDAERP CS(=O)(=O)CC[N@@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403478 179052945 /nfs/dbraw/zinc/05/29/45/179052945.db2.gz VXIYMOGUGOKOIQ-CQSZACIVSA-N 2 0 288.457 1.275 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)CN2CC(C)(C)C2)C[C@H]1C ZINC000569707229 362733514 /nfs/dbraw/zinc/73/35/14/362733514.db2.gz WGKHGXKCRJWHDO-KGLIPLIRSA-N 2 0 281.444 1.659 10 0 CDAERP C[N@@H+]1CC[C@@H](n2c3c(nc2C(C)(C)C)C[NH2+]CC3)C1 ZINC000085573220 179098223 /nfs/dbraw/zinc/09/82/23/179098223.db2.gz DDUNLHATPQXJKS-LLVKDONJSA-N 2 0 262.401 1.703 10 0 CDAERP CCc1nc2c(n1CC(C)(C)[NH+](C)C)CC[NH2+]C2 ZINC000085574080 179099380 /nfs/dbraw/zinc/09/93/80/179099380.db2.gz LSEJKJBMJJCMON-UHFFFAOYSA-N 2 0 250.390 1.431 10 0 CDAERP C[NH+]1CCN(CC[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000085674500 179111751 /nfs/dbraw/zinc/11/17/51/179111751.db2.gz PLRNFDVUDJQAJN-ZNMIVQPWSA-N 2 0 281.444 1.027 10 0 CDAERP CN(C(=O)N[C@@H]1CC12CC[NH2+]CC2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000612992338 347357676 /nfs/dbraw/zinc/35/76/76/347357676.db2.gz DAUMRHCVMUZUSB-QNMSZWNNSA-N 2 0 292.427 1.053 10 0 CDAERP CC[N@@H+]1CC[C@@H](CN2CC[NH2+]C3(CCCCC3)C2)C1 ZINC000086141834 179237009 /nfs/dbraw/zinc/23/70/09/179237009.db2.gz ULNGUKZABUOMOV-OAHLLOKOSA-N 2 0 265.445 1.936 10 0 CDAERP C[C@@H]1C[NH2+][C@@H](Cc2ccccc2)CN1C1CC[NH+](C)CC1 ZINC000086153973 179241764 /nfs/dbraw/zinc/24/17/64/179241764.db2.gz DCHBQMTZJZGEOE-WBVHZDCISA-N 2 0 287.451 1.986 10 0 CDAERP CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414684216 365879132 /nfs/dbraw/zinc/87/91/32/365879132.db2.gz CUSCZWFHSVSNPG-KFWWJZLASA-N 2 0 281.444 1.707 10 0 CDAERP CO[C@@]1(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CCOC1 ZINC000623493122 347602665 /nfs/dbraw/zinc/60/26/65/347602665.db2.gz WLXIIBOQACVRQT-GXTWGEPZSA-N 2 0 256.390 1.254 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H](CO)CC(F)F)CC1(C)C ZINC000623507434 347608714 /nfs/dbraw/zinc/60/87/14/347608714.db2.gz JLSDCCMLMKHYDF-VHSXEESVSA-N 2 0 250.333 1.465 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+][C@H](CO)CC2CCC2)CC1(C)C ZINC000623511296 347611575 /nfs/dbraw/zinc/61/15/75/347611575.db2.gz JFDGIOJGHIFCPV-KGLIPLIRSA-N 2 0 254.418 2.000 10 0 CDAERP CN(C(=O)C1CCC([NH3+])CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC000311912939 362929429 /nfs/dbraw/zinc/92/94/29/362929429.db2.gz SJWYZMOSGAAIDL-JXQTWKCFSA-N 2 0 265.401 1.057 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C[C@]2(C[NH3+])CCCOC2)CC1 ZINC000104318758 185966650 /nfs/dbraw/zinc/96/66/50/185966650.db2.gz JLRUDNJYJAPPOR-LSDHHAIUSA-N 2 0 269.433 1.158 10 0 CDAERP CCC[NH2+]CC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000104418538 185995009 /nfs/dbraw/zinc/99/50/09/185995009.db2.gz PJDRVCNRDCIWCD-UHFFFAOYSA-N 2 0 255.406 1.176 10 0 CDAERP CC[C@H](C(=O)N1C[C@@H](C)[NH2+][C@@H](CC)C1)[NH+](CC)CC ZINC000620903299 350373730 /nfs/dbraw/zinc/37/37/30/350373730.db2.gz LTBUTQDUEJCPGE-HZSPNIEDSA-N 2 0 269.433 1.706 10 0 CDAERP CCC1(CC)[C@H]([NH2+]CCOCCC[NH3+])C[C@H]1OC ZINC000629539538 362957918 /nfs/dbraw/zinc/95/79/18/362957918.db2.gz PZPLMQKRXLYUCL-CHWSQXEVSA-N 2 0 258.406 1.535 10 0 CDAERP C[C@H]([NH2+]CCOCCC[NH3+])c1ccccc1N(C)C ZINC000629541340 362965411 /nfs/dbraw/zinc/96/54/11/362965411.db2.gz ZLKSHKDFEZYPNI-ZDUSSCGKSA-N 2 0 265.401 1.769 10 0 CDAERP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000333243591 362963697 /nfs/dbraw/zinc/96/36/97/362963697.db2.gz FHZFPZFNRYCDEU-CHWSQXEVSA-N 2 0 280.416 1.041 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621642421 350687382 /nfs/dbraw/zinc/68/73/82/350687382.db2.gz MUZJNAWLGXHZAF-HUUCEWRRSA-N 2 0 281.444 1.757 10 0 CDAERP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C1([NH2+]C3CC3)CCC1)C2 ZINC000621700819 350730658 /nfs/dbraw/zinc/73/06/58/350730658.db2.gz XLEADDMLDAJHMS-BXUZGUMPSA-N 2 0 263.385 1.001 10 0 CDAERP CCn1nccc1CC[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000621775501 350772159 /nfs/dbraw/zinc/77/21/59/350772159.db2.gz QJISRORSAPSNMU-CYBMUJFWSA-N 2 0 250.390 1.506 10 0 CDAERP O=S1(=O)Cc2ccccc2[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)C1 ZINC000621778776 350775534 /nfs/dbraw/zinc/77/55/34/350775534.db2.gz VACJZDIGVPOSFP-IUODEOHRSA-N 2 0 294.420 1.245 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)C[C@H]1CCCCC1(F)F ZINC000629572533 363027447 /nfs/dbraw/zinc/02/74/47/363027447.db2.gz WIAQFENLHHYHMK-GFCCVEGCSA-N 2 0 264.360 1.980 10 0 CDAERP COC(=O)[C@H](C)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000167597493 363057996 /nfs/dbraw/zinc/05/79/96/363057996.db2.gz NOQOHTHQWJKHIE-JHJVBQTASA-N 2 0 254.374 1.212 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCC[NH+]2CCCC[C@H]12 ZINC000624317012 351544346 /nfs/dbraw/zinc/54/43/46/351544346.db2.gz VZDUDTQHHXJRNA-SOUVJXGZSA-N 2 0 294.443 1.397 10 0 CDAERP CC1(C)COC[C@@H]1[NH2+]C/C=C/C[NH2+][C@H]1COCC1(C)C ZINC000451809658 363131272 /nfs/dbraw/zinc/13/12/72/363131272.db2.gz JORLVOOQCQODMD-BEVHLOIGSA-N 2 0 282.428 1.572 10 0 CDAERP O=C(N[C@H]1CCCC[NH2+]C1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000333735552 295850732 /nfs/dbraw/zinc/85/07/32/295850732.db2.gz WWAYGGOVTHPFMN-GJZGRUSLSA-N 2 0 294.443 1.302 10 0 CDAERP c1nc2n(n1)[C@H](C[N@H+]1CC[C@H](C[NH+]3CCCC3)C1)CC2 ZINC000639497208 363223033 /nfs/dbraw/zinc/22/30/33/363223033.db2.gz ZXNARMDIUHIXHM-KGLIPLIRSA-N 2 0 275.400 1.183 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1ccc2c(c1)ncn2C ZINC000629652688 363251920 /nfs/dbraw/zinc/25/19/20/363251920.db2.gz CJTLCPGNJZQRHF-UHFFFAOYSA-N 2 0 276.384 1.241 10 0 CDAERP COCC[NH2+]C1CC[NH+](CC2(OC)CCCC2)CC1 ZINC000629649734 363248705 /nfs/dbraw/zinc/24/87/05/363248705.db2.gz FBRFRYWBJCEXLC-UHFFFAOYSA-N 2 0 270.417 1.646 10 0 CDAERP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccc(F)cc1 ZINC000644524054 366142644 /nfs/dbraw/zinc/14/26/44/366142644.db2.gz OMQDWVSYGBVHST-BBWFWOEESA-N 2 0 292.398 1.946 10 0 CDAERP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)NC1CCCCCC1 ZINC000336285911 363294682 /nfs/dbraw/zinc/29/46/82/363294682.db2.gz FJSWTINUWLSHHH-UHFFFAOYSA-N 2 0 293.455 1.901 10 0 CDAERP C[C@@H](C(=O)N[C@H]1CC[NH2+]C[C@H]1C)[NH+]1CCCCCC1 ZINC000262847561 363313831 /nfs/dbraw/zinc/31/38/31/363313831.db2.gz RYTTVLJDYTZMJK-RDBSUJKOSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)CC[NH2+]1 ZINC000629661017 363316230 /nfs/dbraw/zinc/31/62/30/363316230.db2.gz AKCTYQHGSZDNSY-APIJFGDWSA-N 2 0 252.402 1.469 10 0 CDAERP [NH3+]C1(CNC(=O)NCC[C@H]2CC[NH2+]C2)CCCCCC1 ZINC000418288553 370661692 /nfs/dbraw/zinc/66/16/92/370661692.db2.gz WKICGSCYNUFXRU-CYBMUJFWSA-N 2 0 282.432 1.337 10 0 CDAERP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCCC[NH+](C)C ZINC000356213188 366175980 /nfs/dbraw/zinc/17/59/80/366175980.db2.gz GBAKEGZOHZCYLO-LBPRGKRZSA-N 2 0 257.422 1.611 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001660194947 1172173359 /nfs/dbraw/zinc/17/33/59/1172173359.db2.gz KVIANVKBUOZGSI-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H](C[NH+](C)C)NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000358506701 295882237 /nfs/dbraw/zinc/88/22/37/295882237.db2.gz TULQAKMRNGCPDH-GJZGRUSLSA-N 2 0 296.459 1.596 10 0 CDAERP C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000414755036 366233948 /nfs/dbraw/zinc/23/39/48/366233948.db2.gz HAPJFCBBNXAESQ-LXTVHRRPSA-N 2 0 281.444 1.550 10 0 CDAERP CC1=CC[NH+](CCNC(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)CC1 ZINC000454788137 252368311 /nfs/dbraw/zinc/36/83/11/252368311.db2.gz OIGWEBIIZBNNMV-GASCZTMLSA-N 2 0 294.443 1.372 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCC2(CO)CC2)[C@H]2CCC[C@@H]21 ZINC000453340415 283134599 /nfs/dbraw/zinc/13/45/99/283134599.db2.gz KZMOIAXPGYVYEE-RDBSUJKOSA-N 2 0 252.402 1.611 10 0 CDAERP O=C(NCCC[NH+]1CCCCC1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634764509 358500683 /nfs/dbraw/zinc/50/06/83/358500683.db2.gz UWOLDPUHJBLOTN-HOCLYGCPSA-N 2 0 279.428 1.368 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634766182 358503509 /nfs/dbraw/zinc/50/35/09/358503509.db2.gz VJYAQMPMQJMEBE-IPYPFGDCSA-N 2 0 267.417 1.223 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000417824053 283172362 /nfs/dbraw/zinc/17/23/62/283172362.db2.gz ZIHYHRHQLNWVHV-STQMWFEESA-N 2 0 270.421 1.016 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000417824050 283171419 /nfs/dbraw/zinc/17/14/19/283171419.db2.gz ZIHYHRHQLNWVHV-CHWSQXEVSA-N 2 0 270.421 1.016 10 0 CDAERP c1cc2c(cc1CN1CC[N@@H+]3CCC[C@@H]3C1)C[NH2+]CC2 ZINC000211869419 356574640 /nfs/dbraw/zinc/57/46/40/356574640.db2.gz XCLFDIHAYBLTNB-QGZVFWFLSA-N 2 0 271.408 1.612 10 0 CDAERP CC1(C)C[NH+]([C@@H]2C[C@H]([NH3+])C23CCOCC3)CC(C)(C)O1 ZINC000725264433 538455699 /nfs/dbraw/zinc/45/56/99/538455699.db2.gz NHQNJEWBIKCNLV-QWHCGFSZSA-N 2 0 282.428 1.772 10 0 CDAERP Cc1ccoc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000266198833 363516945 /nfs/dbraw/zinc/51/69/45/363516945.db2.gz KQIYGZBECZKVNY-UHFFFAOYSA-N 2 0 252.358 1.790 10 0 CDAERP CCC[NH+]1CCC([NH2+]C[C@H](O)C[C@](C)(O)C2CC2)CC1 ZINC000634638914 356618197 /nfs/dbraw/zinc/61/81/97/356618197.db2.gz YMKKAYHRAFJKOY-CVEARBPZSA-N 2 0 284.444 1.362 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCCn1ccnc1 ZINC000176367861 366327455 /nfs/dbraw/zinc/32/74/55/366327455.db2.gz JUZDAVBNRRFBKB-CQSZACIVSA-N 2 0 293.415 1.399 10 0 CDAERP COc1cc(C)c(CN(C)C[C@@H]2C[NH2+]CCO2)cc1OC ZINC000126872171 538551820 /nfs/dbraw/zinc/55/18/20/538551820.db2.gz RQLFLSLYEDAECF-AWEZNQCLSA-N 2 0 294.395 1.432 10 0 CDAERP CC(C)[N@H+](CCNC(=O)N1CCC[C@H]([NH+](C)C)C1)C1CC1 ZINC000072274315 356720181 /nfs/dbraw/zinc/72/01/81/356720181.db2.gz HMRRIOUTHACZGR-HNNXBMFYSA-N 2 0 296.459 1.595 10 0 CDAERP C[C@@](O)(C[C@H](O)C[NH2+]C1CC[NH+](CC2CC2)CC1)C1CC1 ZINC000634700565 357371446 /nfs/dbraw/zinc/37/14/46/357371446.db2.gz BMMODOPTIFRUNU-DLBZAZTESA-N 2 0 296.455 1.362 10 0 CDAERP C[C@H](C[NH2+]C[C@@H](O)C[C@](C)(O)C1CC1)C[NH+]1CCCCC1 ZINC000634701448 357375216 /nfs/dbraw/zinc/37/52/16/357375216.db2.gz QDSAPBGHFBHERS-PVAVHDDUSA-N 2 0 298.471 1.610 10 0 CDAERP COCCN1CCC[C@H]1C[NH2+]C[C@@H](O)CC1CCCC1 ZINC000564844196 357367909 /nfs/dbraw/zinc/36/79/09/357367909.db2.gz JWMVNLHQZUIAES-HOTGVXAUSA-N 2 0 284.444 1.628 10 0 CDAERP C[NH2+][C@@H](C)C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000054073272 358702121 /nfs/dbraw/zinc/70/21/21/358702121.db2.gz ZFRMMZCHUJECDT-LBPRGKRZSA-N 2 0 261.369 1.829 10 0 CDAERP C[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)CC1 ZINC000261843131 359068008 /nfs/dbraw/zinc/06/80/08/359068008.db2.gz ANKRJUNUEJPRHQ-GVDBMIGSSA-N 2 0 295.471 1.465 10 0 CDAERP C[C@@]1(C[N@@H+]2CC[C@H](C3CCOCC3)C2)CC[NH2+]C1 ZINC000261994318 359116965 /nfs/dbraw/zinc/11/69/65/359116965.db2.gz KOUMLVSCGDJKID-LSDHHAIUSA-N 2 0 252.402 1.735 10 0 CDAERP CN(CC[C@H]1CCCC[N@@H+]1C)C[C@]1(C)CC[NH2+]C1 ZINC000262125326 359135369 /nfs/dbraw/zinc/13/53/69/359135369.db2.gz XQMYCFJQSVZNRL-HUUCEWRRSA-N 2 0 253.434 1.792 10 0 CDAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)COC)cn2)CC1 ZINC000347201450 359224176 /nfs/dbraw/zinc/22/41/76/359224176.db2.gz BWOIOGOLPLQIHL-AWEZNQCLSA-N 2 0 292.427 1.348 10 0 CDAERP C[C@H]([NH3+])C1CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000178824359 359434985 /nfs/dbraw/zinc/43/49/85/359434985.db2.gz NKUYDIFTRLDHHL-DRZSPHRISA-N 2 0 253.390 1.090 10 0 CDAERP CN(C[C@H]1CCC[N@@H+]1C)C(=O)CC[C@@H]1CCCC[NH+]1C ZINC000422143670 359601081 /nfs/dbraw/zinc/60/10/81/359601081.db2.gz YVJSIWHVYDWZSG-LSDHHAIUSA-N 2 0 281.444 1.804 10 0 CDAERP CC(C)C[NH+]1CCC(N[C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000422820087 359659279 /nfs/dbraw/zinc/65/92/79/359659279.db2.gz OTEAWGDZDKCMFD-SJORKVTESA-N 2 0 295.471 1.463 10 0 CDAERP Cc1cc(C[C@H](C)[NH2+][C@H]2CCCC[C@H]2C[NH3+])[nH]n1 ZINC000422993402 359704885 /nfs/dbraw/zinc/70/48/85/359704885.db2.gz STRTZGLCYDGANC-JKOKRWQUSA-N 2 0 250.390 1.756 10 0 CDAERP CC(C)[NH+](CCCN[C@@H](C1CC1)[C@H]1C[NH2+]CCO1)C(C)C ZINC000423000912 359710183 /nfs/dbraw/zinc/71/01/83/359710183.db2.gz CWTPZNLQHXVDGF-SJORKVTESA-N 2 0 297.487 1.852 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCn2ccnc2)[C@H](C)C1 ZINC000336705332 359739831 /nfs/dbraw/zinc/73/98/31/359739831.db2.gz JISRYAMMFFUVSW-ZIAGYGMSSA-N 2 0 250.390 1.545 10 0 CDAERP CN1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1=O ZINC000424383936 360033291 /nfs/dbraw/zinc/03/32/91/360033291.db2.gz UPWOITOCLLBVAH-GBJTYRQASA-N 2 0 279.428 1.365 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000567350498 360139593 /nfs/dbraw/zinc/13/95/93/360139593.db2.gz KJYPBPWZICKNBB-ZNMIVQPWSA-N 2 0 279.428 1.461 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000567350497 360139624 /nfs/dbraw/zinc/13/96/24/360139624.db2.gz KJYPBPWZICKNBB-RRFJBIMHSA-N 2 0 279.428 1.461 10 0 CDAERP C[NH+](C)Cc1ccc(C(=O)N2CCC[C@H]([NH3+])C2)cc1 ZINC000335382297 360132336 /nfs/dbraw/zinc/13/23/36/360132336.db2.gz XROQMTJAFZLKGT-AWEZNQCLSA-N 2 0 261.369 1.312 10 0 CDAERP CC1CC[NH+](CCN2CC[C@H](N3CCOCC3)C2)CC1 ZINC000154044104 360307717 /nfs/dbraw/zinc/30/77/17/360307717.db2.gz SEVNNFILYKGODP-INIZCTEOSA-N 2 0 281.444 1.125 10 0 CDAERP C[C@@H]1CC2(C[N@@H+]1C[C@@]1(C)CC[NH2+]C1)CC[NH2+]CC2 ZINC000335545183 360360206 /nfs/dbraw/zinc/36/02/06/360360206.db2.gz XSQMYINFCVONPP-KGLIPLIRSA-N 3 0 251.418 1.450 10 0 CDAERP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCCC23CC3)CC1 ZINC000515434199 360497774 /nfs/dbraw/zinc/49/77/74/360497774.db2.gz GYDMYNGJAWDLHD-LSDHHAIUSA-N 2 0 265.445 1.935 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000626919133 360634060 /nfs/dbraw/zinc/63/40/60/360634060.db2.gz AENSLOHFIZJVPP-QWHCGFSZSA-N 2 0 282.432 1.301 10 0 CDAERP COc1c(C)cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1C ZINC000335749621 360895796 /nfs/dbraw/zinc/89/57/96/360895796.db2.gz MVIXFTKQYDWZJA-GASCZTMLSA-N 2 0 260.381 1.963 10 0 CDAERP CC[NH+](CC)CCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000349779715 360943935 /nfs/dbraw/zinc/94/39/35/360943935.db2.gz UMDYQBUYVOYQDF-CQSZACIVSA-N 2 0 282.432 1.206 10 0 CDAERP CCC[C@@H](C(=O)Nc1cc(C[NH+](C)C)ccn1)[NH+](C)C ZINC000132319507 361222172 /nfs/dbraw/zinc/22/21/72/361222172.db2.gz PAWDWJISUVWASE-ZDUSSCGKSA-N 2 0 278.400 1.812 10 0 CDAERP Cc1nocc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000350872427 361309806 /nfs/dbraw/zinc/30/98/06/361309806.db2.gz VDWIDXPLKCOEEY-UHFFFAOYSA-N 2 0 293.411 1.917 10 0 CDAERP C[C@H]1CC[NH2+]C[C@@H]1NC1CC[NH+](CCC(F)(F)F)CC1 ZINC000414936557 370681795 /nfs/dbraw/zinc/68/17/95/370681795.db2.gz VAYREEZQXCCGHN-AAEUAGOBSA-N 2 0 293.377 1.991 10 0 CDAERP CC(C)OCC[C@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000521228133 361506164 /nfs/dbraw/zinc/50/61/64/361506164.db2.gz LWTHDCDHEWKVRE-UYTSQGDYSA-N 2 0 284.444 1.767 10 0 CDAERP CCOC(=O)COCC[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000351519169 361733811 /nfs/dbraw/zinc/73/38/11/361733811.db2.gz NQCKRGTXASTQFZ-KBPBESRZSA-N 2 0 286.416 1.371 10 0 CDAERP CCC[NH+]1CCC(C[NH2+]Cc2c(C)cnn2C)CC1 ZINC000352748770 363864711 /nfs/dbraw/zinc/86/47/11/363864711.db2.gz JWJWKNAXXCFJNY-UHFFFAOYSA-N 2 0 264.417 1.940 10 0 CDAERP CNC(=O)c1ccc(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000336621409 363878944 /nfs/dbraw/zinc/87/89/44/363878944.db2.gz VCWYMYWVYTXJTI-HUUCEWRRSA-N 2 0 273.380 1.230 10 0 CDAERP C[C@@H]1CSC[C@H]1[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000352799320 363918201 /nfs/dbraw/zinc/91/82/01/363918201.db2.gz MNVWROPZFIIGQD-BXUZGUMPSA-N 2 0 297.468 1.071 10 0 CDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H]1[NH2+]CC1(C)C ZINC000644154032 364031550 /nfs/dbraw/zinc/03/15/50/364031550.db2.gz ODFGXWPDRJEYPN-UKRRQHHQSA-N 2 0 289.423 1.621 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)NCC[C@H]1CCC[NH+](C)C1 ZINC000457990112 364121439 /nfs/dbraw/zinc/12/14/39/364121439.db2.gz BHVHYBKCOJYJEA-KGLIPLIRSA-N 2 0 282.432 1.112 10 0 CDAERP CC[N@@H+]1C[C@H](C)N(C(=O)C[NH+]2CC[C@H](C)C2)C[C@H]1C ZINC000566446631 370728932 /nfs/dbraw/zinc/72/89/32/370728932.db2.gz NDVQCTHFDHNNLS-MJBXVCDLSA-N 2 0 267.417 1.269 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170836814 364384489 /nfs/dbraw/zinc/38/44/89/364384489.db2.gz GMBBNCQGWNVXDH-OLZOCXBDSA-N 2 0 270.421 1.062 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)N2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000170862651 364408791 /nfs/dbraw/zinc/40/87/91/364408791.db2.gz DPKLDVMKSZLHFL-CQSZACIVSA-N 2 0 282.432 1.205 10 0 CDAERP CC[N@@H+]1CC[C@H](CN[C@@H]2CC[NH+](C)[C@H]3CCC[C@@H]32)C1 ZINC000353441052 365208633 /nfs/dbraw/zinc/20/86/33/365208633.db2.gz LPFZJLYBMADNQA-FPCVCCKLSA-N 2 0 265.445 1.791 10 0 CDAERP CSC[C@H](CCO)[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353520508 365274393 /nfs/dbraw/zinc/27/43/93/365274393.db2.gz PEKOMAKYMDPEJK-IGQOVBAYSA-N 2 0 272.458 1.563 10 0 CDAERP CC[N@H+](C)[C@H](C(=O)N1CC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000171482006 365291844 /nfs/dbraw/zinc/29/18/44/365291844.db2.gz QBUKEYRVUXTRIH-HOTGVXAUSA-N 2 0 289.423 1.842 10 0 CDAERP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@H]1C[C@H]1C ZINC000414112778 241072598 /nfs/dbraw/zinc/07/25/98/241072598.db2.gz NFJKQTVKTJHRCZ-NFAWXSAZSA-N 2 0 253.434 1.647 10 0 CDAERP Cc1ccc(C[NH2+]C2CCC(C[NH+](C)C)CC2)nn1 ZINC000414360720 241167115 /nfs/dbraw/zinc/16/71/15/241167115.db2.gz OEXOBOYJGNNJML-UHFFFAOYSA-N 2 0 262.401 1.995 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000414756906 241369227 /nfs/dbraw/zinc/36/92/27/241369227.db2.gz RPTAHGZOLPLVQO-YHUYYLMFSA-N 2 0 283.460 1.543 10 0 CDAERP C[C@@H]1C[N@H+](C)C[C@@H]1NCC(C)(C)C[NH+]1CCCC1 ZINC000357884750 367278797 /nfs/dbraw/zinc/27/87/97/367278797.db2.gz VFGQGXQDKUSKAB-KGLIPLIRSA-N 2 0 253.434 1.648 10 0 CDAERP C[N@H+](CCCCNC(=O)N[C@@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000627057466 367316244 /nfs/dbraw/zinc/31/62/44/367316244.db2.gz JEBPQPWYOOVNPS-CQSZACIVSA-N 2 0 294.443 1.445 10 0 CDAERP COc1cncc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1C ZINC000630078497 367475797 /nfs/dbraw/zinc/47/57/97/367475797.db2.gz WNOANEGLMRGBAE-XBXGTLAGSA-N 2 0 263.385 1.828 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]C2CCC(C(N)=O)CC2)[C@H](C)C1 ZINC000358169800 367485268 /nfs/dbraw/zinc/48/52/68/367485268.db2.gz DDSLGHHFHBJOOH-RYSNWHEDSA-N 2 0 267.417 1.350 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccccc1C[NH2+]C ZINC000627111676 367461914 /nfs/dbraw/zinc/46/19/14/367461914.db2.gz RTLYRFHSIMNVNV-LSDHHAIUSA-N 2 0 290.411 1.346 10 0 CDAERP CC1=CCN(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000358244143 367538071 /nfs/dbraw/zinc/53/80/71/367538071.db2.gz WEUPIUTTWRWRPU-BZUAXINKSA-N 2 0 265.445 1.957 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCCC[NH3+] ZINC000417032308 242281265 /nfs/dbraw/zinc/28/12/65/242281265.db2.gz FAKKVUMQGAMQKU-ZDUSSCGKSA-N 2 0 270.421 1.289 10 0 CDAERP C[C@H]1CC[C@@H](NC(=O)NCC2(C)CC[NH+](C)CC2)C[NH2+]1 ZINC000627205148 367699739 /nfs/dbraw/zinc/69/97/39/367699739.db2.gz NCIMGHCCGKJNTD-QWHCGFSZSA-N 2 0 282.432 1.158 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)C[NH2+]1 ZINC000627210382 367709113 /nfs/dbraw/zinc/70/91/13/367709113.db2.gz PYIYERDHROLKQI-FRRDWIJNSA-N 2 0 282.432 1.299 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000627242903 367811396 /nfs/dbraw/zinc/81/13/96/367811396.db2.gz XLEPIAPIIKJBHA-AEGPPILISA-N 2 0 294.443 1.110 10 0 CDAERP O[C@@H](C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)CC1(O)CCC1 ZINC000528385858 367821067 /nfs/dbraw/zinc/82/10/67/367821067.db2.gz DSQRWQQBUJXRIL-HZPDHXFCSA-N 2 0 296.455 1.603 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000418202252 242759960 /nfs/dbraw/zinc/75/99/60/242759960.db2.gz MSUXSINOUMVFMI-AGIUHOORSA-N 2 0 270.421 1.238 10 0 CDAERP CN(C(=O)N[C@@H]1CC[NH+](C2CC2)C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000359389875 367944731 /nfs/dbraw/zinc/94/47/31/367944731.db2.gz MJUKAIBFEYCKOL-DOMZBBRYSA-N 2 0 292.427 1.101 10 0 CDAERP CCCCOC[C@@H](O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000193250247 368002950 /nfs/dbraw/zinc/00/29/50/368002950.db2.gz RTGRZMFOXZPYNF-KRWDZBQOSA-N 2 0 298.471 1.972 10 0 CDAERP CC[NH+](CC)CCN(CC(C)C)C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638071415 368028364 /nfs/dbraw/zinc/02/83/64/368028364.db2.gz JGUMEYVOSWGGBH-HNNXBMFYSA-N 2 0 281.444 1.860 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000360330181 368235014 /nfs/dbraw/zinc/23/50/14/368235014.db2.gz RTTJEUIMDQPZHY-UKRRQHHQSA-N 2 0 299.484 1.414 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)CCC2C[NH2+]C2)CC1 ZINC000638088000 368237728 /nfs/dbraw/zinc/23/77/28/368237728.db2.gz IEBCOCMJQYTFBD-UHFFFAOYSA-N 2 0 267.417 1.367 10 0 CDAERP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(N)=O ZINC000340173664 368289702 /nfs/dbraw/zinc/28/97/02/368289702.db2.gz MSZVXQCXGUXGNI-CYBMUJFWSA-N 2 0 275.396 1.636 10 0 CDAERP [NH3+][C@H]1CC=C(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000638103231 368365934 /nfs/dbraw/zinc/36/59/34/368365934.db2.gz LUYIZSSKJZIXBK-UONOGXRCSA-N 2 0 263.385 1.121 10 0 CDAERP C[C@H](C[NH3+])NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418519691 243173238 /nfs/dbraw/zinc/17/32/38/243173238.db2.gz GIVKJIKWRAPWBH-UKRRQHHQSA-N 2 0 290.411 1.250 10 0 CDAERP C[C@@H](CC[NH3+])NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000418524832 243178962 /nfs/dbraw/zinc/17/89/62/243178962.db2.gz LSRANLBUDXDNNM-ZDUSSCGKSA-N 2 0 282.432 1.241 10 0 CDAERP CN(C(=O)N[C@@H](C[NH3+])C1CCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418584583 243240566 /nfs/dbraw/zinc/24/05/66/243240566.db2.gz CFVOGDASUQYYNY-IXXDHKBRSA-N 2 0 294.443 1.428 10 0 CDAERP CCN(CCC[NH+]1CCCC1)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000418596311 243256271 /nfs/dbraw/zinc/25/62/71/243256271.db2.gz OSQNVQUXFJCAKS-GJZGRUSLSA-N 2 0 296.459 1.502 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000418569304 243223759 /nfs/dbraw/zinc/22/37/59/243223759.db2.gz HVZYKNCHHZFULT-YYJFMHSASA-N 2 0 294.443 1.251 10 0 CDAERP C[C@@H](NC(=O)N[C@@H](CCC[NH3+])c1ccccc1)[C@H](C)[NH3+] ZINC000418684238 243337123 /nfs/dbraw/zinc/33/71/23/243337123.db2.gz XZCYMIQCOKELQF-SCRDCRAPSA-N 2 0 278.400 1.502 10 0 CDAERP Cc1cn2cc(NC(=O)N3C[C@@H](C[NH3+])C[C@H]3C)ccc2n1 ZINC000567356996 370966014 /nfs/dbraw/zinc/96/60/14/370966014.db2.gz KKRAULSXSJELNK-VXGBXAGGSA-N 2 0 287.367 1.844 10 0 CDAERP C[NH+]1CCN([C@@H](C[NH3+])c2ccc3c(c2)OCCCO3)CC1 ZINC000037675130 369894554 /nfs/dbraw/zinc/89/45/54/369894554.db2.gz PRGUFKQOWABNAV-AWEZNQCLSA-N 2 0 291.395 1.095 10 0 CDAERP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000252438344 370205797 /nfs/dbraw/zinc/20/57/97/370205797.db2.gz ADSKZQXKLXJSHZ-XNISGKROSA-N 2 0 291.439 1.508 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)CC2CC[NH2+]CC2)cc1 ZINC000564943631 370305634 /nfs/dbraw/zinc/30/56/34/370305634.db2.gz CUBKVDZFVITMIW-LBPRGKRZSA-N 2 0 275.396 1.712 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCN(c2ccccc2)C1 ZINC000422739876 245201052 /nfs/dbraw/zinc/20/10/52/245201052.db2.gz AOJOWLADUPAHHH-HZPDHXFCSA-N 2 0 291.439 1.999 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H](C)CN1CCC[C@H](C)C1 ZINC000422750451 245213018 /nfs/dbraw/zinc/21/30/18/245213018.db2.gz AUDBNTQZPCMXOZ-ZNMIVQPWSA-N 2 0 271.449 1.450 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+]CCNC(=O)c1ccccc1 ZINC000422907146 245392955 /nfs/dbraw/zinc/39/29/55/245392955.db2.gz BEIWBSFVRPTHLC-ZDUSSCGKSA-N 2 0 263.385 1.524 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCNC(=O)c1ccccc1 ZINC000422908894 245393161 /nfs/dbraw/zinc/39/31/61/245393161.db2.gz DUZVGFKJECRUSM-LSDHHAIUSA-N 2 0 275.396 1.524 10 0 CDAERP CSCC[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000378236487 371884739 /nfs/dbraw/zinc/88/47/39/371884739.db2.gz YMUIWYASKGJQSD-AGIUHOORSA-N 2 0 285.457 1.057 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N2CCC([NH+](C)C)CC2)CC1 ZINC000172797777 371889153 /nfs/dbraw/zinc/88/91/53/371889153.db2.gz ZWCBTTBHPLGQTC-UHFFFAOYSA-N 2 0 281.444 1.659 10 0 CDAERP CC(C)NC(=O)CC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000172575313 372402001 /nfs/dbraw/zinc/40/20/01/372402001.db2.gz PLQWUWLKEUCWDG-OAHLLOKOSA-N 2 0 281.444 1.851 10 0 CDAERP C[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)[C@@H]1CCC[NH2+]C1 ZINC000643460339 372434914 /nfs/dbraw/zinc/43/49/14/372434914.db2.gz RJBGEAYDJJWQEZ-YJNKXOJESA-N 2 0 253.434 1.837 10 0 CDAERP C[NH+]1CCC(C)(C[NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)CC1 ZINC000423046565 245522662 /nfs/dbraw/zinc/52/26/62/245522662.db2.gz UBZOMNWWXQSJAC-GJZGRUSLSA-N 2 0 281.444 1.075 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)CCCC[NH3+])CC1 ZINC000580891082 372731161 /nfs/dbraw/zinc/73/11/61/372731161.db2.gz VZLOJYFKLKCWMG-UHFFFAOYSA-N 2 0 255.406 1.354 10 0 CDAERP C[C@@H](C(=O)N1CCC[N@@H+](C2CC2)CC1)[NH+]1CCCCCC1 ZINC000175794187 372716641 /nfs/dbraw/zinc/71/66/41/372716641.db2.gz XPZAWRKPBWMDRV-HNNXBMFYSA-N 2 0 293.455 1.948 10 0 CDAERP COc1cc(C)c(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)c(C)n1 ZINC000415028678 372786474 /nfs/dbraw/zinc/78/64/74/372786474.db2.gz CYSISAWFZDJDTH-QWHCGFSZSA-N 2 0 263.385 1.924 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+][C@H](C)CCCC[NH3+])[C@@H]1n1cccn1 ZINC000423150070 245611790 /nfs/dbraw/zinc/61/17/90/245611790.db2.gz YPTTWLMXMQSUBH-BARDWOONSA-N 2 0 280.416 1.709 10 0 CDAERP C[NH+](C)CCc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000581320025 372945079 /nfs/dbraw/zinc/94/50/79/372945079.db2.gz RATLIZKWJXHAGY-INIZCTEOSA-N 2 0 289.423 1.615 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000333381213 205273467 /nfs/dbraw/zinc/27/34/67/205273467.db2.gz NQCNMVKEKQOIMZ-BFHYXJOUSA-N 2 0 282.432 1.301 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCN(c2ncccc2F)C1 ZINC000643461821 373117818 /nfs/dbraw/zinc/11/78/18/373117818.db2.gz HJGMAPYHONBSFX-STQMWFEESA-N 2 0 296.390 1.143 10 0 CDAERP CC[N@H+](CC(=O)N(C)[C@H]1CC[NH+](CC)C[C@@H]1C)C1CC1 ZINC000349356453 284381099 /nfs/dbraw/zinc/38/10/99/284381099.db2.gz DZRGTJALUSIVQD-ZFWWWQNUSA-N 2 0 281.444 1.659 10 0 CDAERP C[C@H](CC(=O)N[C@H]1CCC[N@H+](C)C1)C1CC[NH2+]CC1 ZINC000645685225 373237035 /nfs/dbraw/zinc/23/70/35/373237035.db2.gz WGIVFNGWRVGTMO-OCCSQVGLSA-N 2 0 267.417 1.223 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[C@]2(C)[NH3+])C1 ZINC000645684853 373242118 /nfs/dbraw/zinc/24/21/18/373242118.db2.gz JGOXBLTXIYJDBM-SCRDCRAPSA-N 2 0 253.390 1.104 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2C[NH+](C)C)CC[N@@H+]1C ZINC000630924032 373378472 /nfs/dbraw/zinc/37/84/72/373378472.db2.gz LTOLUJKQYYQWRS-QLFBSQMISA-N 2 0 281.444 1.659 10 0 CDAERP C[C@@H]1CN(CC[NH+]2CCC(C[NH+]3CCCC3)CC2)CCO1 ZINC000191446781 373492104 /nfs/dbraw/zinc/49/21/04/373492104.db2.gz HQGITQGRHUJXCR-MRXNPFEDSA-N 2 0 295.471 1.515 10 0 CDAERP O=C1[C@H]([NH+]2CCC([C@H]3CC[NH2+]C3)CC2)CCN1C1CCC1 ZINC000631826269 373711556 /nfs/dbraw/zinc/71/15/56/373711556.db2.gz JMBUTBNOJJSDKH-GOEBONIOSA-N 2 0 291.439 1.461 10 0 CDAERP CC(C)[C@@H]([NH3+])CC[N@H+](C)C[C@H]1CCc2ncnn21 ZINC000631821596 373699915 /nfs/dbraw/zinc/69/99/15/373699915.db2.gz CQRHKANKBYORDI-NEPJUHHUSA-N 2 0 251.378 1.071 10 0 CDAERP [NH3+][C@@H]1CCCCCN(CCOC2CCOCC2)C1 ZINC000631835679 373742827 /nfs/dbraw/zinc/74/28/27/373742827.db2.gz XBLUPZGZYBBZAL-CYBMUJFWSA-N 2 0 256.390 1.385 10 0 CDAERP C[C@@H]1C[N@H+](C)C[C@@H]1Nc1cccc(OCC[NH+](C)C)c1 ZINC000342902396 374716552 /nfs/dbraw/zinc/71/65/52/374716552.db2.gz NZNFMPLUJPVADD-CJNGLKHVSA-N 2 0 277.412 1.989 10 0 CDAERP C[C@H](NC(=O)N1CC[NH+]2CCC1CC2)C1=CC[N@H+](C)CC1 ZINC000334325579 374906366 /nfs/dbraw/zinc/90/63/66/374906366.db2.gz BATWWLJXGBIBLH-ZDUSSCGKSA-N 2 0 292.427 1.126 10 0 CDAERP C[NH2+]C(C)(C)CNC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000415951365 375504054 /nfs/dbraw/zinc/50/40/54/375504054.db2.gz YXQSEOWKLQBSDK-UHFFFAOYSA-N 2 0 280.372 1.144 10 0 CDAERP CC[NH+](CC)CC(=O)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000627739290 375602085 /nfs/dbraw/zinc/60/20/85/375602085.db2.gz RGYVUALNBWPQMD-UHFFFAOYSA-N 2 0 297.443 1.042 10 0 CDAERP C[C@H]1C[NH+]=C(N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)N1 ZINC000306497570 375759690 /nfs/dbraw/zinc/75/96/90/375759690.db2.gz BGXVUMZVFMSCKH-GJZGRUSLSA-N 2 0 286.423 1.788 10 0 CDAERP CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)[C@@H](C)[NH3+])c1ccco1 ZINC000417311708 375762642 /nfs/dbraw/zinc/76/26/42/375762642.db2.gz MJJZQOUEZIKUGR-JHJVBQTASA-N 2 0 296.415 1.697 10 0 CDAERP Cn1c2cc(CN3CC[C@](C)(C[NH3+])C3)ccc2oc1=O ZINC000631825950 376655694 /nfs/dbraw/zinc/65/56/94/376655694.db2.gz ZDTXVZOIYDSART-OAHLLOKOSA-N 2 0 275.352 1.302 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CC[NH+]2CCCC[C@H]2C1 ZINC000246491552 376934683 /nfs/dbraw/zinc/93/46/83/376934683.db2.gz SJTJSOQLHSDNSC-CABCVRRESA-N 2 0 296.459 1.596 10 0 CDAERP CC[N@H+](C)Cc1cccc(CNC(=O)NCCC[NH3+])c1 ZINC000417408994 377006610 /nfs/dbraw/zinc/00/66/10/377006610.db2.gz VCQIEVYSKDOLET-UHFFFAOYSA-N 2 0 278.400 1.286 10 0 CDAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H](C)[NH+](C)C2CC2)C1 ZINC000247393686 377108642 /nfs/dbraw/zinc/10/86/42/377108642.db2.gz QOYZUPZUUBSLMM-IPYPFGDCSA-N 2 0 296.459 1.497 10 0 CDAERP CC[NH+](CC)CCNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247464265 377123060 /nfs/dbraw/zinc/12/30/60/377123060.db2.gz URNXHEMZNCMAHD-ZIAGYGMSSA-N 2 0 284.448 1.356 10 0 CDAERP CC[N@H+](CCNC(=O)NCC[C@H]1CCC[NH2+]C1)C1CC1 ZINC000417432147 377088738 /nfs/dbraw/zinc/08/87/38/377088738.db2.gz SHTHLIHKXWRQJP-CYBMUJFWSA-N 2 0 282.432 1.160 10 0 CDAERP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)COC(C)(C)C)CC[C@@H]21 ZINC000248066007 377197713 /nfs/dbraw/zinc/19/77/13/377197713.db2.gz MGBQRRQJGLVKQH-ILXRZTDVSA-N 2 0 284.444 1.579 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCN1CCCC[C@@]1(C)C(N)=O ZINC000248553413 377247160 /nfs/dbraw/zinc/24/71/60/377247160.db2.gz AOZSCGXYLNWEEF-OCCSQVGLSA-N 2 0 253.390 1.201 10 0 CDAERP C[C@H](CNC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)N1CCOCC1 ZINC000249911293 377484264 /nfs/dbraw/zinc/48/42/64/377484264.db2.gz WCJBSYWYAKGZOA-LXTVHRRPSA-N 2 0 297.443 1.085 10 0 CDAERP C[NH+](C)Cc1cccc(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000334853559 377625939 /nfs/dbraw/zinc/62/59/39/377625939.db2.gz XOQWGEVIFMORME-JKSUJKDBSA-N 2 0 287.407 1.572 10 0 CDAERP C[NH+](C)C1CN(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)C1 ZINC000334855862 377631564 /nfs/dbraw/zinc/63/15/64/377631564.db2.gz XTMTXFJQAKLPGC-UHFFFAOYSA-N 2 0 292.358 1.249 10 0 CDAERP CCC[C@H](C(=O)NC[C@H](C)[NH+]1CCC(C)CC1)[NH+](C)C ZINC000161804656 377771056 /nfs/dbraw/zinc/77/10/56/377771056.db2.gz FJUCNOYSDAGSNO-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP OCC[NH+]1CCC(C[NH2+]Cc2cccc3c2OCO3)CC1 ZINC000069418027 378081868 /nfs/dbraw/zinc/08/18/68/378081868.db2.gz KWNSLXCPXQFLHQ-UHFFFAOYSA-N 2 0 292.379 1.209 10 0 CDAERP Cc1ncc(C[NH2+]CC2CC[NH+](CCO)CC2)s1 ZINC000069436930 378089092 /nfs/dbraw/zinc/08/90/92/378089092.db2.gz DRZJHAPTHWHIQM-UHFFFAOYSA-N 2 0 269.414 1.245 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)CC[N@@H+]1C ZINC000633188081 378188449 /nfs/dbraw/zinc/18/84/49/378188449.db2.gz JYLOOHHMGHRBHV-SQWLQELKSA-N 2 0 279.428 1.271 10 0 CDAERP C[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+](C)C)C1=O)c1ccccc1 ZINC000580341532 378578250 /nfs/dbraw/zinc/57/82/50/378578250.db2.gz DAXNBLYCMXJQRB-GXTWGEPZSA-N 2 0 289.379 1.026 10 0 CDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCc2ccncc2)CC1 ZINC000069702774 378582038 /nfs/dbraw/zinc/58/20/38/378582038.db2.gz WYXCTYJXFGKXJT-HNNXBMFYSA-N 2 0 291.439 1.649 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000417790475 378816514 /nfs/dbraw/zinc/81/65/14/378816514.db2.gz HTHNXTVNCSJHQA-UONOGXRCSA-N 2 0 281.444 1.788 10 0 CDAERP C[NH+](C)CCC[C@H]1C[N@H+](CC[C@H]2CCOC2)CCO1 ZINC000662325691 412897093 /nfs/dbraw/zinc/89/70/93/412897093.db2.gz IEOVWHLJDFXHCU-GJZGRUSLSA-N 2 0 270.417 1.456 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1C[C@@H](C)O[C@H]1C ZINC000657573508 412903812 /nfs/dbraw/zinc/90/38/12/412903812.db2.gz OSVWLBTYELCMDA-XGUBFFRZSA-N 2 0 271.449 1.414 10 0 CDAERP CC(C[NH+](C)CC1(CO)CC1)C[N@H+](C)CC1(CO)CC1 ZINC000446061065 250260641 /nfs/dbraw/zinc/26/06/41/250260641.db2.gz KARJNAIYCHNTKC-UHFFFAOYSA-N 2 0 284.444 1.031 10 0 CDAERP CC(C)[C@H]1CN(C(=O)CC[C@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000634300955 379358296 /nfs/dbraw/zinc/35/82/96/379358296.db2.gz REIOJTUVDBCJKM-UONOGXRCSA-N 2 0 267.417 1.175 10 0 CDAERP C[C@@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)C(C)(C)C[NH+](C)C ZINC000655919573 412929459 /nfs/dbraw/zinc/92/94/59/412929459.db2.gz HRZNJFDHDHIAJM-RKDXNWHRSA-N 2 0 298.353 1.152 10 0 CDAERP CC[C@H](C(=O)N1CC[C@H](C[NH2+]CC(C)C)C1)[NH+](C)C ZINC001662712300 1172580795 /nfs/dbraw/zinc/58/07/95/1172580795.db2.gz QSMQIMSCULIDFS-ZIAGYGMSSA-N 2 0 269.433 1.421 10 0 CDAERP C[NH+](C)[C@@H]1CCCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655929339 412936912 /nfs/dbraw/zinc/93/69/12/412936912.db2.gz SKVKBHRUWHPNJZ-ZJUUUORDSA-N 2 0 296.337 1.002 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)NCC[C@@H](C)[NH+](C)C)CC1 ZINC000663894031 412941310 /nfs/dbraw/zinc/94/13/10/412941310.db2.gz SJSRMXPWIQKKHL-CQSZACIVSA-N 2 0 298.475 1.748 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000655962742 412966042 /nfs/dbraw/zinc/96/60/42/412966042.db2.gz CBTGEXYSXIRMJQ-YIYPIFLZSA-N 2 0 282.432 1.143 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CC[C@@]3(C2)CCC[NH+](C)C3)CC[N@@H+]1C ZINC000505635333 254091516 /nfs/dbraw/zinc/09/15/16/254091516.db2.gz OFONXYMXBGESRA-ZOBUZTSGSA-N 2 0 293.455 1.661 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000336092303 285266418 /nfs/dbraw/zinc/26/64/18/285266418.db2.gz HFBIXZXPHHXWNO-HOCLYGCPSA-N 2 0 294.443 1.208 10 0 CDAERP C[NH2+]CC1CC[NH+](C[C@H](C(=O)OC)c2ccccc2)CC1 ZINC000080960796 177740766 /nfs/dbraw/zinc/74/07/66/177740766.db2.gz JSAZVUJSQLNTQG-INIZCTEOSA-N 2 0 290.407 1.875 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001663336281 1172673168 /nfs/dbraw/zinc/67/31/68/1172673168.db2.gz YZIFLQOECGGEMV-QWHCGFSZSA-N 2 0 255.406 1.032 10 0 CDAERP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000713041269 790260247 /nfs/dbraw/zinc/26/02/47/790260247.db2.gz BNUVYSCDZBOVSZ-NWDGAFQWSA-N 2 0 255.406 1.158 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCCO[C@@H]1CC(C)C ZINC000423051840 285373949 /nfs/dbraw/zinc/37/39/49/285373949.db2.gz OHJFWSDUXMREGE-RRFJBIMHSA-N 2 0 272.433 1.924 10 0 CDAERP CC(C)(C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)N1CCOCC1 ZINC000067854705 390576508 /nfs/dbraw/zinc/57/65/08/390576508.db2.gz VJHSZQDEGLVRED-INIZCTEOSA-N 2 0 281.444 1.173 10 0 CDAERP COc1c(C)cc(CN2CCN(C)C[C@H]2C[NH3+])cc1C ZINC000647539364 390687991 /nfs/dbraw/zinc/68/79/91/390687991.db2.gz WXZYQNIBDNCKLL-OAHLLOKOSA-N 2 0 277.412 1.387 10 0 CDAERP C[C@H](Cc1ccoc1)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000449223696 390813747 /nfs/dbraw/zinc/81/37/47/390813747.db2.gz YJVVGHTVHIGFSP-CQSZACIVSA-N 2 0 265.401 1.438 10 0 CDAERP CC1(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC[NH2+]CC1 ZINC000248374129 390935412 /nfs/dbraw/zinc/93/54/12/390935412.db2.gz NYABLQRFNSQQQP-MJBXVCDLSA-N 2 0 279.428 1.413 10 0 CDAERP CC(C)[C@@H](C[NH2+]Cc1ccns1)N1CC[NH+](C)CC1 ZINC000404455320 390959260 /nfs/dbraw/zinc/95/92/60/390959260.db2.gz JGPQIRLJHRDUGA-CQSZACIVSA-N 2 0 282.457 1.505 10 0 CDAERP CC[N@H+](CCNC(=O)N[C@@H](CC(C)C)C[NH+](C)C)C1CC1 ZINC000101983463 390956565 /nfs/dbraw/zinc/95/65/65/390956565.db2.gz HHGHJUGGFDEUBK-AWEZNQCLSA-N 2 0 298.475 1.746 10 0 CDAERP COc1ccc(OCC[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000415093579 391017016 /nfs/dbraw/zinc/01/70/16/391017016.db2.gz VTSSSVMDPCYVID-QWHCGFSZSA-N 2 0 264.369 1.662 10 0 CDAERP CN(C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000353458454 391022443 /nfs/dbraw/zinc/02/24/43/391022443.db2.gz JPLHMMPLNOVGCL-HRCADAONSA-N 2 0 291.439 1.317 10 0 CDAERP C[C@H]1C[NH2+]C[C@H](NCc2ccccc2OCC[NH+](C)C)C1 ZINC000647550156 390994342 /nfs/dbraw/zinc/99/43/42/390994342.db2.gz CRVLEHXAHDAMPE-GDBMZVCRSA-N 2 0 291.439 1.715 10 0 CDAERP C[C@@H]1CC[C@@]2(CC[N@H+](C[C@H](O)CN(C)C3CC3)C2)C1 ZINC000351616868 391084310 /nfs/dbraw/zinc/08/43/10/391084310.db2.gz ARDBXVVWRFYNPZ-FVQBIDKESA-N 2 0 266.429 1.954 10 0 CDAERP CCN1CC[NH+](CCCC[NH2+]CC2(F)CC2)CC1 ZINC000526973377 391237489 /nfs/dbraw/zinc/23/74/89/391237489.db2.gz VLKGISOYZXOZDM-UHFFFAOYSA-N 2 0 257.397 1.496 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@@H]2CCC[NH2+]C2)cc1 ZINC000418318157 391305652 /nfs/dbraw/zinc/30/56/52/391305652.db2.gz NNQRTOXLVVFECT-GXTWGEPZSA-N 2 0 290.411 1.505 10 0 CDAERP CCC[C@H](C)NC(=O)[C@@H](C)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366477366 391325109 /nfs/dbraw/zinc/32/51/09/391325109.db2.gz ATTLDKUWYBRCPN-LZWOXQAQSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)C[C@@H]([NH3+])CN1CCC(C[NH+]2CCOCC2)CC1 ZINC000414678662 391341336 /nfs/dbraw/zinc/34/13/36/391341336.db2.gz QSYOHWFPECVWGU-MRXNPFEDSA-N 2 0 283.460 1.404 10 0 CDAERP CC(C)N1CCC[C@@H](N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)C1=O ZINC000179302454 391364989 /nfs/dbraw/zinc/36/49/89/391364989.db2.gz JRUOKPFOEFPJKI-QLFBSQMISA-N 2 0 281.444 1.800 10 0 CDAERP CC[C@@H]1CN(Cc2nnc(C)n2CC)CC[C@@H]1[NH3+] ZINC000647934371 391377263 /nfs/dbraw/zinc/37/72/63/391377263.db2.gz CFMLQEPXPQPZHS-NEPJUHHUSA-N 2 0 251.378 1.166 10 0 CDAERP CS[C@@H]1CC[C@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000425363772 391485964 /nfs/dbraw/zinc/48/59/64/391485964.db2.gz WRKCZOVBCCOVAP-MGPQQGTHSA-N 2 0 272.458 1.707 10 0 CDAERP CC(=O)NC1CCC([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000348636317 391448043 /nfs/dbraw/zinc/44/80/43/391448043.db2.gz AJJZNPWZHIZQMZ-SOCLWGNMSA-N 2 0 281.444 1.752 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)C2=CC[C@@H]([NH3+])C2)CC1 ZINC000638981706 391479566 /nfs/dbraw/zinc/47/95/66/391479566.db2.gz XNVYSZRTTYBFEU-CYBMUJFWSA-N 2 0 265.401 1.367 10 0 CDAERP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCCC23CC3)CC1 ZINC000657832718 413049503 /nfs/dbraw/zinc/04/95/03/413049503.db2.gz MKHZCZIEUVTAJH-CQSZACIVSA-N 2 0 265.445 1.935 10 0 CDAERP CC(C)[C@H]([NH3+])CNC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000417532714 391639756 /nfs/dbraw/zinc/63/97/56/391639756.db2.gz LPAFORUUNCGCMB-MELADBBJSA-N 2 0 284.448 1.532 10 0 CDAERP CC[C@@H]([NH3+])CNC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000417533336 391640123 /nfs/dbraw/zinc/64/01/23/391640123.db2.gz MHEXIFRHMVJVCE-FRRDWIJNSA-N 2 0 270.421 1.286 10 0 CDAERP Cc1cc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)ccc1-n1cncn1 ZINC000415054495 391738109 /nfs/dbraw/zinc/73/81/09/391738109.db2.gz METYLFORHYMEAP-RHSMWYFYSA-N 2 0 299.422 1.992 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000371244061 391775041 /nfs/dbraw/zinc/77/50/41/391775041.db2.gz MHKORKBPSDBFOM-UONOGXRCSA-N 2 0 267.417 1.317 10 0 CDAERP O=C(C[NH2+][C@H]1CCCSC1)NCC[NH+]1CCCCCC1 ZINC000353674014 130167144 /nfs/dbraw/zinc/16/71/44/130167144.db2.gz QYGQANOVLARFPF-AWEZNQCLSA-N 2 0 299.484 1.464 10 0 CDAERP [NH3+]C1(CNC(=O)[C@H]2C[NH2+]CCC2(F)F)CCCCCC1 ZINC000647653295 391809241 /nfs/dbraw/zinc/80/92/41/391809241.db2.gz ZBGFEPRMDGXNND-LLVKDONJSA-N 2 0 289.370 1.399 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000246473883 391891044 /nfs/dbraw/zinc/89/10/44/391891044.db2.gz QYJHUZYDFMVHEY-HUUCEWRRSA-N 2 0 296.459 1.452 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N1C[C@@H](C[NH+](C)C)Oc2ccccc21 ZINC000649347410 392080424 /nfs/dbraw/zinc/08/04/24/392080424.db2.gz WDIRKJHTMJSHHN-QWHCGFSZSA-N 2 0 291.395 1.470 10 0 CDAERP CCC[C@H]1CN(C[C@]2(C)CC[NH2+]C2)CC[N@@H+]1CCOC ZINC000261699388 392018259 /nfs/dbraw/zinc/01/82/59/392018259.db2.gz CEORNVDRKICBED-JKSUJKDBSA-N 2 0 283.460 1.419 10 0 CDAERP CC[NH+](CC)CC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000649371469 392122014 /nfs/dbraw/zinc/12/20/14/392122014.db2.gz LIMNWTJJGYXQQH-HNNXBMFYSA-N 2 0 275.396 1.413 10 0 CDAERP CC[NH+](CC)CC(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000649373091 392124979 /nfs/dbraw/zinc/12/49/79/392124979.db2.gz QBHXIXCQCTUHTA-LBPRGKRZSA-N 2 0 253.390 1.119 10 0 CDAERP O=C(NCC[NH+]1CCCCC1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000250826798 392232314 /nfs/dbraw/zinc/23/23/14/392232314.db2.gz HSDNUVMHABMTRJ-KFWWJZLASA-N 2 0 279.428 1.509 10 0 CDAERP CO[C@@H](CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)C(F)(F)F ZINC000423065027 392310147 /nfs/dbraw/zinc/31/01/47/392310147.db2.gz ATNXTYBOCBSUTB-GUBZILKMSA-N 2 0 254.296 1.684 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@H](CO)Cc1ccc(F)c(F)c1 ZINC000423068621 392314820 /nfs/dbraw/zinc/31/48/20/392314820.db2.gz CHURXEHTBLUIGY-KCPJHIHWSA-N 2 0 284.350 1.585 10 0 CDAERP Cc1nn(C)c(C)c1CCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423018921 392278598 /nfs/dbraw/zinc/27/85/98/392278598.db2.gz SKFUXRBRDWTANP-WFASDCNBSA-N 2 0 264.417 1.700 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCO[C@H](CC(C)C)C1 ZINC000423040793 392294609 /nfs/dbraw/zinc/29/46/09/392294609.db2.gz HZKOVDZVOMFUEH-SOUVJXGZSA-N 2 0 272.433 1.924 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CN[C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423109031 392351605 /nfs/dbraw/zinc/35/16/05/392351605.db2.gz NDCIHFCALCNZCJ-XHSDSOJGSA-N 2 0 281.444 1.217 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](CO)Cc1ccc(F)cc1 ZINC000423081964 392327377 /nfs/dbraw/zinc/32/73/77/392327377.db2.gz WAEVDNDDZPHBRB-LSDHHAIUSA-N 2 0 284.375 1.073 10 0 CDAERP CNC(=O)C[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])c1ccccc1 ZINC000423099406 392342204 /nfs/dbraw/zinc/34/22/04/392342204.db2.gz UCZAFNHGHZAITO-BZPMIXESSA-N 2 0 263.385 1.579 10 0 CDAERP CC[C@H](Cn1cncn1)[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000423290459 392490781 /nfs/dbraw/zinc/49/07/81/392490781.db2.gz DBNQQKKHMGGUCR-IUODEOHRSA-N 2 0 273.384 1.866 10 0 CDAERP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NCC[N@H+]1CC=CCC1 ZINC000646557814 392560056 /nfs/dbraw/zinc/56/00/56/392560056.db2.gz XBUVOCLIOGURQJ-LSDHHAIUSA-N 2 0 279.428 1.662 10 0 CDAERP c1cc(C[NH2+][C@H](C2CC2)[C@@H]2CNCCO2)cc2c1C[NH2+]C2 ZINC000423386623 392569939 /nfs/dbraw/zinc/56/99/39/392569939.db2.gz MBMBQKZRRPMGHP-DLBZAZTESA-N 2 0 287.407 1.146 10 0 CDAERP CC[NH+](CC)CC(=O)NC[C@H]([NH3+])c1ccccc1OC ZINC000646604250 392590500 /nfs/dbraw/zinc/59/05/00/392590500.db2.gz ZDJZBYOTGGQEHO-ZDUSSCGKSA-N 2 0 279.384 1.153 10 0 CDAERP COC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000449505680 392776851 /nfs/dbraw/zinc/77/68/51/392776851.db2.gz BMXBJDBHUKNVPA-TUVASFSCSA-N 2 0 280.412 1.935 10 0 CDAERP C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000517239200 392863633 /nfs/dbraw/zinc/86/36/33/392863633.db2.gz MOVRMGVDTCNAEF-QPSCCSFWSA-N 2 0 279.428 1.365 10 0 CDAERP C([C@@H]1CCOC1)[NH+]1CCC([NH2+][C@H]2COC3(CCC3)C2)CC1 ZINC000657892910 413074118 /nfs/dbraw/zinc/07/41/18/413074118.db2.gz UWAIGTPFCQXOMK-GOEBONIOSA-N 2 0 294.439 1.789 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CC1(N(C)C)CCCCC1 ZINC000234779887 140231631 /nfs/dbraw/zinc/23/16/31/140231631.db2.gz DOQIFLOBUPMYBZ-AWEZNQCLSA-N 2 0 271.449 1.594 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N(C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245422849 140266022 /nfs/dbraw/zinc/26/60/22/140266022.db2.gz ANHPYJDQZUHQEG-GJZGRUSLSA-N 2 0 298.475 1.842 10 0 CDAERP C[C@@H]1C[N@H+](CC[C@H]2CCC[NH+]2C)C[C@@H]1N1CCOCC1 ZINC000245635147 140271809 /nfs/dbraw/zinc/27/18/09/140271809.db2.gz REGXEDOGAYLOML-OAGGEKHMSA-N 2 0 281.444 1.123 10 0 CDAERP COc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1OC ZINC000261656204 140370705 /nfs/dbraw/zinc/37/07/05/140370705.db2.gz YSSBMYHUYIFOLR-YPMHNXCESA-N 2 0 264.369 1.791 10 0 CDAERP CC1(C)CN(C(=O)[C@H]([NH3+])c2ccccc2)CC[C@@H]1[NH3+] ZINC000261668640 140372040 /nfs/dbraw/zinc/37/20/40/140372040.db2.gz ACCIIMJUPVMLFQ-QWHCGFSZSA-N 2 0 261.369 1.272 10 0 CDAERP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000261670742 140373125 /nfs/dbraw/zinc/37/31/25/140373125.db2.gz BTOVQRBVHTWLFK-SOULVHCYSA-N 2 0 297.468 1.104 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261709087 140379346 /nfs/dbraw/zinc/37/93/46/140379346.db2.gz BUYZWWUIEOFGKW-ZNMIVQPWSA-N 2 0 297.443 1.264 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000261802957 140391628 /nfs/dbraw/zinc/39/16/28/140391628.db2.gz RQAJDAOSLOTKAZ-OAHLLOKOSA-N 2 0 281.444 1.837 10 0 CDAERP O=C(C[C@H]1CCC[NH2+]1)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000261818125 140394588 /nfs/dbraw/zinc/39/45/88/140394588.db2.gz XMVNZUHMEXELFX-LLVKDONJSA-N 2 0 277.343 1.552 10 0 CDAERP [NH3+][C@H](CNC(=O)[C@H]1CCCCCC[C@H]1[NH3+])C1CC1 ZINC000261974583 140413080 /nfs/dbraw/zinc/41/30/80/140413080.db2.gz VDTWSDDRXOVYNO-YNEHKIRRSA-N 2 0 253.390 1.138 10 0 CDAERP C[NH+](C)Cc1ccc(C(=O)N2CC[NH+]3CCC2CC3)cn1 ZINC000367389690 397668082 /nfs/dbraw/zinc/66/80/82/397668082.db2.gz WPCQEFGKNDEAFP-UHFFFAOYSA-N 2 0 288.395 1.063 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[C@H]2C[NH+](C)C[C@@H]21 ZINC000649638840 397885758 /nfs/dbraw/zinc/88/57/58/397885758.db2.gz XUNOMFLOMVNUAR-XHSDSOJGSA-N 2 0 265.445 1.885 10 0 CDAERP CC1(C)C[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)CCO1 ZINC000389273497 397856074 /nfs/dbraw/zinc/85/60/74/397856074.db2.gz IKGOKLNGECGBMU-UONOGXRCSA-N 2 0 270.417 1.380 10 0 CDAERP C[C@@H]([NH2+]C[C@H]1CCCCN1CCO)C1CC[NH+](C)CC1 ZINC000651381410 397969550 /nfs/dbraw/zinc/96/95/50/397969550.db2.gz DBCDPLLUACRKBV-GDBMZVCRSA-N 2 0 283.460 1.153 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]CC[C@@H](COC)OC)[C@H](C)C1 ZINC000658085397 413185072 /nfs/dbraw/zinc/18/50/72/413185072.db2.gz WGSAIYJZHQVKRF-RDBSUJKOSA-N 2 0 258.406 1.358 10 0 CDAERP CCOC(=O)COCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000094805427 147096330 /nfs/dbraw/zinc/09/63/30/147096330.db2.gz PKLSDJMBXUCGDO-UHFFFAOYSA-N 2 0 298.427 1.374 10 0 CDAERP OCCC1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000097817760 147127055 /nfs/dbraw/zinc/12/70/55/147127055.db2.gz NSHIXVGGIRKMOM-UHFFFAOYSA-N 2 0 275.396 1.803 10 0 CDAERP CC(C)OCCC[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000116399845 147272855 /nfs/dbraw/zinc/27/28/55/147272855.db2.gz LWAJGBQPVILSLN-KRWDZBQOSA-N 2 0 297.487 1.903 10 0 CDAERP CC(C)(C)[C@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C[C@H]1O ZINC000262141292 149026307 /nfs/dbraw/zinc/02/63/07/149026307.db2.gz ZEXKZCUZWRKIJA-GUTXKFCHSA-N 2 0 254.418 1.715 10 0 CDAERP C[NH2+]C[C@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)C1 ZINC000262279105 149044868 /nfs/dbraw/zinc/04/48/68/149044868.db2.gz WUCAGDXAOFTUTM-IJEWVQPXSA-N 2 0 279.428 1.224 10 0 CDAERP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C1C[NH2+]C1 ZINC000262455935 149065523 /nfs/dbraw/zinc/06/55/23/149065523.db2.gz WOQSFTCFPLDJIK-UHFFFAOYSA-N 2 0 297.349 1.074 10 0 CDAERP CCC([NH3+])(CC)CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262461147 149066458 /nfs/dbraw/zinc/06/64/58/149066458.db2.gz VYPYQZVFMFYWQQ-UPJWGTAASA-N 2 0 267.417 1.541 10 0 CDAERP CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000262598516 149080194 /nfs/dbraw/zinc/08/01/94/149080194.db2.gz LWLFFWZSGNKCMA-WCFLWFBJSA-N 2 0 255.406 1.384 10 0 CDAERP CC1CC[NH+](CCNC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000334883201 150029621 /nfs/dbraw/zinc/02/96/21/150029621.db2.gz ZPDXMGOFHWQJNM-GJZGRUSLSA-N 2 0 294.443 1.112 10 0 CDAERP C[C@@]([NH3+])(C(=O)N1CC[NH+]2CCC1CC2)c1ccccc1 ZINC000335036549 150212603 /nfs/dbraw/zinc/21/26/03/150212603.db2.gz UACIOJHMFYPPIL-INIZCTEOSA-N 2 0 273.380 1.167 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)N2CC[NH+]3CCC2CC3)CC1 ZINC000335934011 151126519 /nfs/dbraw/zinc/12/65/19/151126519.db2.gz TZXQOSXSNAHVAE-UHFFFAOYSA-N 2 0 294.443 1.349 10 0 CDAERP COc1cc(C[NH2+][C@H]2CN(C)C[C@H]2C)ccc1OCCO ZINC000343352909 152134758 /nfs/dbraw/zinc/13/47/58/152134758.db2.gz JGKPTKPVAPSMBB-OCCSQVGLSA-N 2 0 294.395 1.106 10 0 CDAERP CNC(=O)CC[N@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346151398 153073010 /nfs/dbraw/zinc/07/30/10/153073010.db2.gz ZHBUCFMKCCCGJT-UHFFFAOYSA-N 2 0 287.367 1.144 10 0 CDAERP C[NH+](C)C1(CNC(=O)[C@H]2CCC[C@H]2C[NH3+])CCCC1 ZINC000125736716 413302699 /nfs/dbraw/zinc/30/26/99/413302699.db2.gz YSBDFIZNFMSQBY-STQMWFEESA-N 2 0 267.417 1.352 10 0 CDAERP C[C@H]1C[C@H](NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC[N@@H+]1C ZINC000654458349 413308001 /nfs/dbraw/zinc/30/80/01/413308001.db2.gz GIUFJERQDHMFRQ-IGQOVBAYSA-N 2 0 282.432 1.109 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCC[NH+](C)C2CCCC2)CC[N@@H+]1C ZINC000354266986 156359008 /nfs/dbraw/zinc/35/90/08/156359008.db2.gz GPJBNOCRCJXBSO-KBPBESRZSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000662732689 413400767 /nfs/dbraw/zinc/40/07/67/413400767.db2.gz MRXXLZCQAXHWDV-UPJWGTAASA-N 2 0 253.390 1.007 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)CC2([NH3+])CC2)C[C@@H]1C ZINC000662742685 413413976 /nfs/dbraw/zinc/41/39/76/413413976.db2.gz FZSBTCUOVCVJTD-RYUDHWBXSA-N 2 0 253.390 1.199 10 0 CDAERP O=C(C[NH+]1CCCC1)NCC1C[NH+](CCCCCF)C1 ZINC001665357942 1172985386 /nfs/dbraw/zinc/98/53/86/1172985386.db2.gz FCLJUZYKCOABOG-UHFFFAOYSA-N 2 0 285.407 1.270 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001665588523 1173018099 /nfs/dbraw/zinc/01/80/99/1173018099.db2.gz STBIGFXRXYAWPY-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H]([NH3+])CC[NH2+]CCCCCCCC[NH2+]CC[C@@H](C)[NH3+] ZINC000003790056 169912924 /nfs/dbraw/zinc/91/29/24/169912924.db2.gz VLYRLIMLXGWDID-HZPDHXFCSA-N 4 0 286.508 1.981 10 0 CDAERP CC(C)[NH+]1CCC(C[NH3+])(N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000019471780 170805683 /nfs/dbraw/zinc/80/56/83/170805683.db2.gz YRAIFLDPILWRSS-KBPBESRZSA-N 2 0 269.433 1.297 10 0 CDAERP C[C@@H](C(=O)N1CC[NH2+]CC1)[NH+]1CCCCCCC1 ZINC000020265947 171122619 /nfs/dbraw/zinc/12/26/19/171122619.db2.gz YXDWIULWNMVVGA-ZDUSSCGKSA-N 2 0 253.390 1.073 10 0 CDAERP CC[NH+](CC)CCCNS(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000022173601 171369264 /nfs/dbraw/zinc/36/92/64/171369264.db2.gz MQGJWFGCRUGTEF-UHFFFAOYSA-N 2 0 299.440 1.156 10 0 CDAERP C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)N[C@H]1CCC[NH+](C)C1)C2 ZINC000653169313 412105886 /nfs/dbraw/zinc/10/58/86/412105886.db2.gz KRVCEGRYTRKWKQ-FUDCBSFHSA-N 2 0 280.416 1.005 10 0 CDAERP CC(C)[C@@H](C(=O)NCCC1(C[NH3+])CC1)[NH+]1CCCCC1 ZINC000653221230 412148264 /nfs/dbraw/zinc/14/82/64/412148264.db2.gz OGMWTANFDVFQMW-AWEZNQCLSA-N 2 0 281.444 1.742 10 0 CDAERP CC(C)[NH+]1CCN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000654657938 413549605 /nfs/dbraw/zinc/54/96/05/413549605.db2.gz WTQQGRYBYWLLHH-OKILXGFUSA-N 2 0 282.432 1.062 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654661777 413553188 /nfs/dbraw/zinc/55/31/88/413553188.db2.gz OVMXDWURDNIVAB-OKILXGFUSA-N 2 0 284.448 1.310 10 0 CDAERP C[C@@H]1CCCN(C(=O)c2cc(C(C)(C)[NH3+])no2)[C@H]1CC[NH3+] ZINC000662828979 413560691 /nfs/dbraw/zinc/56/06/91/413560691.db2.gz JSJQQHSPGVRZOJ-MNOVXSKESA-N 2 0 294.399 1.458 10 0 CDAERP C[C@H](CNC(=O)N[C@H](C)c1nccn1C)[N@H+](C)C1CC1 ZINC000660855026 413580912 /nfs/dbraw/zinc/58/09/12/413580912.db2.gz ISKZLQGBQPACGY-GHMZBOCLSA-N 2 0 279.388 1.263 10 0 CDAERP C[C@@H]1C[C@@H](C[N@H+]2C[C@]3(C)COC[C@]3(C)C2)CC[NH2+]1 ZINC000656787975 413668210 /nfs/dbraw/zinc/66/82/10/413668210.db2.gz BLJBSZMLECYPMX-BARDWOONSA-N 2 0 252.402 1.733 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000664719388 413614861 /nfs/dbraw/zinc/61/48/61/413614861.db2.gz QDEPWRSFAJVKKV-LLVKDONJSA-N 2 0 291.386 1.468 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000654757946 413687111 /nfs/dbraw/zinc/68/71/11/413687111.db2.gz NGDFILHIKJDPMM-GJZGRUSLSA-N 2 0 279.428 1.415 10 0 CDAERP C[C@H](NC(=O)[C@@](C)([NH3+])c1ccccc1)c1nccn1C ZINC000662932804 413718861 /nfs/dbraw/zinc/71/88/61/413718861.db2.gz GHPDIWPJNHXJLG-NHYWBVRUSA-N 2 0 272.352 1.471 10 0 CDAERP C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659367039 413750137 /nfs/dbraw/zinc/75/01/37/413750137.db2.gz LBWBBWNMLASUCJ-COPLHBTASA-N 2 0 277.368 1.269 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000659500234 413890746 /nfs/dbraw/zinc/89/07/46/413890746.db2.gz GSNFDDDBXXLMTJ-OAHLLOKOSA-N 2 0 296.459 1.676 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000665299144 414044841 /nfs/dbraw/zinc/04/48/41/414044841.db2.gz HKCNXEHOPZYEQH-JKSUJKDBSA-N 3 0 283.460 1.452 10 0 CDAERP C[NH+](C)CCCNC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000663408916 414230295 /nfs/dbraw/zinc/23/02/95/414230295.db2.gz HXCBCYFJBPIBLS-LBPRGKRZSA-N 2 0 270.421 1.110 10 0 CDAERP CC(C)C[C@H](CN(C)C)[NH2+]Cc1cnc2n1CCC2 ZINC000657346608 414191206 /nfs/dbraw/zinc/19/12/06/414191206.db2.gz KSNMPOVLNKIMRB-CYBMUJFWSA-N 2 0 264.417 1.895 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000655804256 414198660 /nfs/dbraw/zinc/19/86/60/414198660.db2.gz QXEZUVKZJNAFCN-XFIYOXNOSA-N 3 0 265.445 1.789 10 0 CDAERP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cnc(N(C)C)nc1 ZINC000663498622 414295840 /nfs/dbraw/zinc/29/58/40/414295840.db2.gz QOPXPTSIGIGOGV-GFCCVEGCSA-N 2 0 251.378 1.006 10 0 CDAERP CO[C@H](C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)[C@@H]1CCOC1 ZINC000659973423 414314988 /nfs/dbraw/zinc/31/49/88/414314988.db2.gz DHELOYLJJHSLCH-GVDBMIGSSA-N 2 0 296.455 1.702 10 0 CDAERP C[C@@H](O)[C@H]1CCC[N@@H+]1C[C@@H](O)CN(C)Cc1ccccc1 ZINC000661770664 414347606 /nfs/dbraw/zinc/34/76/06/414347606.db2.gz GPQXUEFKYJPEJT-HYVNUMGLSA-N 2 0 292.423 1.325 10 0 CDAERP c1nc2c([nH]1)C[C@H]([NH2+]Cc1cnn3c1CCC3)CC2 ZINC000657470341 414368185 /nfs/dbraw/zinc/36/81/85/414368185.db2.gz QGUFBSRIWKKMEE-LLVKDONJSA-N 2 0 257.341 1.200 10 0 CDAERP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)CC[NH2+]1 ZINC000663514372 414322155 /nfs/dbraw/zinc/32/21/55/414322155.db2.gz QCNVEJDUSTYTKT-OWCLPIDISA-N 3 0 283.460 1.417 10 0 CDAERP c1cc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c[nH]1 ZINC000657536256 414422490 /nfs/dbraw/zinc/42/24/90/414422490.db2.gz ZHGVMICVMYCEJD-UHFFFAOYSA-N 2 0 277.412 1.995 10 0 CDAERP C(C[NH+]1CCCC1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918075 173853663 /nfs/dbraw/zinc/85/36/63/173853663.db2.gz LEWDOIWQLBDAAD-CABCVRRESA-N 2 0 251.418 1.546 10 0 CDAERP Cc1cccc(C[N@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662250961 414584430 /nfs/dbraw/zinc/58/44/30/414584430.db2.gz UFFYFEVTOYESSB-HNNXBMFYSA-N 2 0 260.381 1.948 10 0 CDAERP C[N@H+](CCO[C@@H]1CC1(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662264751 414601084 /nfs/dbraw/zinc/60/10/84/414601084.db2.gz KQIACCZBFCLLKP-AYLPWXGPSA-N 2 0 260.328 1.625 10 0 CDAERP C[N@H+](Cc1cccc2c1CC[NH2+]C2)C1(C(N)=O)CCCC1 ZINC000662280183 414611075 /nfs/dbraw/zinc/61/10/75/414611075.db2.gz YHCIVRHFFMWTEJ-UHFFFAOYSA-N 2 0 287.407 1.562 10 0 CDAERP FC1(F)C[C@@]12CC[N@H+](C[C@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000662282983 414613129 /nfs/dbraw/zinc/61/31/29/414613129.db2.gz FREHANIFQZNCPJ-GHMZBOCLSA-N 2 0 258.312 1.239 10 0 CDAERP [NH3+]CCC[N@H+](CCOCCO)C1CCCCCC1 ZINC000040228753 174209434 /nfs/dbraw/zinc/20/94/34/174209434.db2.gz BLUDKDMMDZRRKX-UHFFFAOYSA-N 2 0 258.406 1.369 10 0 CDAERP C[NH+]1CCC(N[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000040671383 174369919 /nfs/dbraw/zinc/36/99/19/174369919.db2.gz YMNNHVPJBJULKS-GOSISDBHSA-N 2 0 287.451 1.987 10 0 CDAERP C[NH+](C)CC1CC[NH+](CCCn2cc(N)ccc2=O)CC1 ZINC000042390851 174706134 /nfs/dbraw/zinc/70/61/34/174706134.db2.gz COFYHTLEZGMXKF-UHFFFAOYSA-N 2 0 292.427 1.094 10 0 CDAERP CC[NH+]1CCC(N(C)c2ccc(C(N)=[NH2+])cc2)CC1 ZINC000042679978 174834260 /nfs/dbraw/zinc/83/42/60/174834260.db2.gz YGNMCSPQAYESMD-UHFFFAOYSA-N 2 0 260.385 1.891 10 0 CDAERP c1coc([C@H](CN[C@H]2CCC[NH2+]C2)[NH+]2CCCC2)c1 ZINC000043324576 175007050 /nfs/dbraw/zinc/00/70/50/175007050.db2.gz MLVVTZKKQUABAR-KBPBESRZSA-N 2 0 263.385 1.758 10 0 CDAERP C[C@@H]([NH3+])[C@@H](c1cccnc1)N(C)C1CC[NH+](C)CC1 ZINC000043345687 175016755 /nfs/dbraw/zinc/01/67/55/175016755.db2.gz ZQUXTXOIALPLMY-DOMZBBRYSA-N 2 0 262.401 1.496 10 0 CDAERP C[C@@H]([NH3+])[C@@H](c1cccnc1)N1CC[NH+](C(C)(C)C)CC1 ZINC000043347506 175017712 /nfs/dbraw/zinc/01/77/12/175017712.db2.gz YAOZDHJTOQDYKH-HIFRSBDPSA-N 2 0 276.428 1.886 10 0 CDAERP CC(C)[NH+]1CCC(C[NH3+])(N2CCO[C@H]3CCC[C@@H]32)CC1 ZINC000043424627 175040121 /nfs/dbraw/zinc/04/01/21/175040121.db2.gz BIGPSKLEMDLRFX-GJZGRUSLSA-N 2 0 281.444 1.441 10 0 CDAERP C[C@@H](C(=O)N(C)C1CC[NH2+]CC1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000043559864 175065592 /nfs/dbraw/zinc/06/55/92/175065592.db2.gz IREZVXPHICJBKP-AVGNSLFASA-N 2 0 267.417 1.458 10 0 CDAERP CCOc1ccccc1[C@H](CN1CC[NH+](C)CC1)[NH2+]C ZINC000043810534 175109575 /nfs/dbraw/zinc/10/95/75/175109575.db2.gz FGTMBNXKXXPPBU-HNNXBMFYSA-N 2 0 277.412 1.593 10 0 CDAERP CCc1ccc([C@@H](CN2CC[NH+](C)CC2)[NH2+]C)cc1 ZINC000043810578 175109622 /nfs/dbraw/zinc/10/96/22/175109622.db2.gz RWGDVGOZWAUBRG-MRXNPFEDSA-N 2 0 261.413 1.757 10 0 CDAERP C[NH2+][C@@H]1c2ccc(OC)cc2CC[C@@H]1N1CC[NH+](C)CC1 ZINC000043810606 175109744 /nfs/dbraw/zinc/10/97/44/175109744.db2.gz GWHBUCVTZPLUCJ-DLBZAZTESA-N 2 0 289.423 1.518 10 0 CDAERP C[NH2+][C@H]1c2ccccc2C[C@H]1N1CC[NH+](CC2CC2)CC1 ZINC000043967869 175128958 /nfs/dbraw/zinc/12/89/58/175128958.db2.gz SXIQEICWXHPOLA-MSOLQXFVSA-N 2 0 285.435 1.899 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2CN3CCC2CC3)C1 ZINC000044364581 175167570 /nfs/dbraw/zinc/16/75/70/175167570.db2.gz IZSMTXJRLYXSEI-UKRRQHHQSA-N 2 0 251.418 1.401 10 0 CDAERP CCC[NH+]1CCN([C@@H](c2cnn(C)c2)[C@H]([NH3+])CC)CC1 ZINC000044418513 175173357 /nfs/dbraw/zinc/17/33/57/175173357.db2.gz URZZOJBAGRHIFM-CABCVRRESA-N 2 0 279.432 1.226 10 0 CDAERP C[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cnn(C)c1 ZINC000044499819 175185093 /nfs/dbraw/zinc/18/50/93/175185093.db2.gz CQTLJJCRABCYKX-IKKMQULASA-N 2 0 262.401 1.944 10 0 CDAERP C[NH+]1CCC(C[NH2+]C[C@H](O)c2ccc3c(c2)OCO3)CC1 ZINC000044518170 175191026 /nfs/dbraw/zinc/19/10/26/175191026.db2.gz UNPCQOYUYFSIKO-AWEZNQCLSA-N 2 0 292.379 1.380 10 0 CDAERP C[NH+]1CCC(C[NH2+]C[C@H](O)COC2CCCC2)CC1 ZINC000044518095 175191036 /nfs/dbraw/zinc/19/10/36/175191036.db2.gz HPADCWNAIYOQOW-AWEZNQCLSA-N 2 0 270.417 1.238 10 0 CDAERP Cc1ccc(NC(=O)C[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000044518403 175191076 /nfs/dbraw/zinc/19/10/76/175191076.db2.gz WOYNKEMDPZOMRW-UHFFFAOYSA-N 2 0 275.396 1.865 10 0 CDAERP COCC[C@@](C)(C[NH3+])N1CCC([NH+]2CCCCC2)CC1 ZINC000045043378 175295008 /nfs/dbraw/zinc/29/50/08/175295008.db2.gz HVVRSNAKLCJODE-INIZCTEOSA-N 2 0 283.460 1.691 10 0 CDAERP O=C(C[N@@H+]1CCC[C@@H]1C1CCCC1)N1CCC[NH2+]CC1 ZINC000045074061 175302589 /nfs/dbraw/zinc/30/25/89/175302589.db2.gz RWAHQBSOXXHPNC-OAHLLOKOSA-N 2 0 279.428 1.463 10 0 CDAERP CCC[NH2+][C@](C)(CCN(C)C1CC[NH+](CC)CC1)C(N)=O ZINC000045278507 175348096 /nfs/dbraw/zinc/34/80/96/175348096.db2.gz WXAXXUUKEBLEIB-MRXNPFEDSA-N 2 0 298.475 1.036 10 0 CDAERP CC[NH2+][C@](C)(CCC[N@H+](C)CCc1ccccn1)C(N)=O ZINC000045372025 175364426 /nfs/dbraw/zinc/36/44/26/175364426.db2.gz XFFNOMUYJQEKFD-MRXNPFEDSA-N 2 0 292.427 1.190 10 0 CDAERP CC(C)[NH2+][C@@](C)(CCC[NH+]1CCCCCC1)C(N)=O ZINC000045377557 175367068 /nfs/dbraw/zinc/36/70/68/175367068.db2.gz GIZOHTILVAKSQA-HNNXBMFYSA-N 2 0 269.433 1.885 10 0 CDAERP C[NH2+][C@](C)(CCC[N@H+](C)C1CCCCC1)C(N)=O ZINC000045379139 175368465 /nfs/dbraw/zinc/36/84/65/175368465.db2.gz XCXRTORYHUAYAL-CQSZACIVSA-N 2 0 255.406 1.495 10 0 CDAERP C[C@](CCCC[N@@H+]1CCOC(C)(C)C1)([NH2+]C1CC1)C(N)=O ZINC000045418704 175377478 /nfs/dbraw/zinc/37/74/78/175377478.db2.gz HLPVWCVJZIOHGL-MRXNPFEDSA-N 2 0 297.443 1.264 10 0 CDAERP Cc1ncccc1C[NH2+]CC1CC[NH+](C[C@H](C)O)CC1 ZINC000069349887 175824328 /nfs/dbraw/zinc/82/43/28/175824328.db2.gz FRVKGOXYZXVOPL-ZDUSSCGKSA-N 2 0 277.412 1.572 10 0 CDAERP CC[C@H]1C[C@@](C[NH3+])(N2CC[NH+](C3CCCC3)CC2)CCO1 ZINC000070365853 175895456 /nfs/dbraw/zinc/89/54/56/175895456.db2.gz VGUWEYJBMULHNM-IRXDYDNUSA-N 2 0 295.471 1.833 10 0 CDAERP COC(=O)CC[N@H+](C)C[C@@H](C[NH3+])c1ccccc1 ZINC000070941129 176015001 /nfs/dbraw/zinc/01/50/01/176015001.db2.gz HENUJEYOYBLVQF-CYBMUJFWSA-N 2 0 250.342 1.224 10 0 CDAERP CCC[NH2+][C@H]1CCCN(CC[N@H+](C)C2CC2)C1=O ZINC000071031208 176022615 /nfs/dbraw/zinc/02/26/15/176022615.db2.gz SOLXREPYSQGIDD-ZDUSSCGKSA-N 2 0 253.390 1.071 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)N1CCC[C@H]([NH2+]C2CC2)C1=O ZINC000071032016 176022844 /nfs/dbraw/zinc/02/28/44/176022844.db2.gz HTPYWTODASIVIN-GJZGRUSLSA-N 2 0 281.444 1.706 10 0 CDAERP CC(C)[NH2+][C@@H]1CCCN([C@H](C[NH+](C)C)C(C)C)C1=O ZINC000071034293 176024427 /nfs/dbraw/zinc/02/44/27/176024427.db2.gz UWFJOBXJGLRTPB-ZIAGYGMSSA-N 2 0 269.433 1.562 10 0 CDAERP C[C@@H](c1ccc(O)cc1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071148502 176043998 /nfs/dbraw/zinc/04/39/98/176043998.db2.gz XWPVIECUVRQLRG-ZDUSSCGKSA-N 2 0 263.385 1.290 10 0 CDAERP Cc1ccc([C@@H](C[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)s1 ZINC000071187960 176061860 /nfs/dbraw/zinc/06/18/60/176061860.db2.gz UTJIFGZBNUYMMB-CHWSQXEVSA-N 2 0 267.442 1.940 10 0 CDAERP CC[C@H]([NH3+])[C@H](c1cnn(C)c1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071187900 176062278 /nfs/dbraw/zinc/06/22/78/176062278.db2.gz WROONWOMZIKMNU-SNPRPXQTSA-N 2 0 279.432 1.082 10 0 CDAERP CC[C@H]1CC[C@H](O)[C@H]([N@H+](C)C[C@@H]2CC[NH+](C)C2)C1 ZINC000071190604 176066458 /nfs/dbraw/zinc/06/64/58/176066458.db2.gz HQDYPIRCXWVZNR-YJNKXOJESA-N 2 0 254.418 1.810 10 0 CDAERP CN[C@](C)(CCCC[N@H+](C)C[C@@H]1CC[NH+](C)C1)C(=O)OC ZINC000071190854 176067511 /nfs/dbraw/zinc/06/75/11/176067511.db2.gz AQSRDMVFZXXSLH-GOEBONIOSA-N 2 0 299.459 1.191 10 0 CDAERP CN(Cc1[nH+]c(NN)ccc1Cl)C[C@H]1CC[N@H+](C)C1 ZINC000071191170 176070743 /nfs/dbraw/zinc/07/07/43/176070743.db2.gz IKWMDJUJTKLEKX-JTQLQIEISA-N 2 0 283.807 1.404 10 0 CDAERP CC[NH2+][C@H]1CCCN([C@@H](C)C[NH+]2CCCCC2)C1 ZINC000071201495 176078132 /nfs/dbraw/zinc/07/81/32/176078132.db2.gz NMDUGQYEHDVAEW-GJZGRUSLSA-N 2 0 253.434 1.935 10 0 CDAERP CC[C@H]([NH3+])[C@@H](N1CC[NH+](CC(C)(C)O)CC1)C(C)(C)C ZINC000071380098 176143982 /nfs/dbraw/zinc/14/39/82/176143982.db2.gz SRISUQLOUJYSMO-UONOGXRCSA-N 2 0 285.476 1.527 10 0 CDAERP CC(C)[C@@H](CC[NH3+])CCC(=O)NCC1CC[NH+](C)CC1 ZINC000079278225 177462175 /nfs/dbraw/zinc/46/21/75/177462175.db2.gz UVQQTHJSEYEIEC-OAHLLOKOSA-N 2 0 283.460 1.846 10 0 CDAERP CCC[C@H]1CCC[N@H+](CC(=O)N(C)CCC[NH3+])CC1 ZINC000079304160 177466653 /nfs/dbraw/zinc/46/66/53/177466653.db2.gz OSZLEYPEHSOXGH-AWEZNQCLSA-N 2 0 269.433 1.696 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)[NH+](C)C ZINC000368024333 287461470 /nfs/dbraw/zinc/46/14/70/287461470.db2.gz YWUFGOXJZNQYFL-MGPQQGTHSA-N 2 0 267.417 1.317 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCOC ZINC001666486719 1173138864 /nfs/dbraw/zinc/13/88/64/1173138864.db2.gz WALSRRDVSJOBOP-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)[C@@H](C[NH3+])C1 ZINC000261769050 287552606 /nfs/dbraw/zinc/55/26/06/287552606.db2.gz KGESMKLVOWHZPV-FVCCEPFGSA-N 2 0 253.390 1.090 10 0 CDAERP CC[NH2+]C[C@@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001666563426 1173151911 /nfs/dbraw/zinc/15/19/11/1173151911.db2.gz NOHOLNRHLFNBNU-OLZOCXBDSA-N 2 0 255.406 1.223 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001666903416 1173204981 /nfs/dbraw/zinc/20/49/81/1173204981.db2.gz SDCMCVKETXXUMW-GDBMZVCRSA-N 2 0 295.471 1.811 10 0 CDAERP CN(C(=O)[C@@H]1C[C@]12CCC[NH2+]C2)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000655446687 423864907 /nfs/dbraw/zinc/86/49/07/423864907.db2.gz HTNKKDYUZRWXGM-DZKIICNBSA-N 2 0 277.412 1.071 10 0 CDAERP CC(C)C[N@H+](C)CCC[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000651864863 423826828 /nfs/dbraw/zinc/82/68/28/423826828.db2.gz HFLCXLRYCQQILF-ZDUSSCGKSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3C[C@@H](C(N)=O)C3)CC2)C1 ZINC000651940027 423942171 /nfs/dbraw/zinc/94/21/71/423942171.db2.gz YONHWPKQFCTBQI-VDERGJSUSA-N 2 0 293.455 1.883 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@](C)(C(F)F)C2)CC[NH2+]1 ZINC000663513057 423902564 /nfs/dbraw/zinc/90/25/64/423902564.db2.gz ICXXEFUYYRFJKK-WZRBSPASSA-N 2 0 262.344 1.731 10 0 CDAERP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@](C)(C(F)F)C2)CC[NH2+]1 ZINC000663513031 423904611 /nfs/dbraw/zinc/90/46/11/423904611.db2.gz ICXXEFUYYRFJKK-MDZLAQPJSA-N 2 0 262.344 1.731 10 0 CDAERP CC(C)[NH2+]CCC(=O)N1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000653267187 423959612 /nfs/dbraw/zinc/95/96/12/423959612.db2.gz LZVMPGDVZIUGSP-RRFJBIMHSA-N 2 0 297.443 1.262 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000652225010 424084969 /nfs/dbraw/zinc/08/49/69/424084969.db2.gz NBXYWPOWYPWMOI-ZIAGYGMSSA-N 2 0 284.448 1.343 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000652202876 424056431 /nfs/dbraw/zinc/05/64/31/424056431.db2.gz WUTRKLCLOGXKJE-GJZGRUSLSA-N 2 0 298.475 1.652 10 0 CDAERP C[C@@H](O)CNc1cc(NC[C@@H]2CC[N@@H+]2C(C)(C)C)ncn1 ZINC000664142269 424150805 /nfs/dbraw/zinc/15/08/05/424150805.db2.gz HTPVUNBZDARJAI-NEPJUHHUSA-N 2 0 293.415 1.554 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)[C@H]2CCC[C@@H]21 ZINC000652251944 424154349 /nfs/dbraw/zinc/15/43/49/424154349.db2.gz VFXPQZDGPLLYFP-JEWKUQAESA-N 2 0 250.386 1.769 10 0 CDAERP [NH3+]C1(CNC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)CCCCCC1 ZINC000653044816 424155522 /nfs/dbraw/zinc/15/55/22/424155522.db2.gz CWVAWHQFIBEDNF-UONOGXRCSA-N 2 0 279.428 1.685 10 0 CDAERP [NH3+]C[C@@H](NC(=O)[C@@H]([NH3+])CC1CCCCC1)C(F)(F)F ZINC000655517459 424194102 /nfs/dbraw/zinc/19/41/02/424194102.db2.gz CHMGLHUSYPRBQZ-VHSXEESVSA-N 2 0 281.322 1.290 10 0 CDAERP Cc1nc2cc(NC(=O)[C@H](N)CC[NH+](C)C)ccc2o1 ZINC000653106104 424255138 /nfs/dbraw/zinc/25/51/38/424255138.db2.gz UGWGTYDNJITWJZ-LLVKDONJSA-N 2 0 276.340 1.354 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CCCF ZINC001667059268 1173228187 /nfs/dbraw/zinc/22/81/87/1173228187.db2.gz OEUOAZKSKCLRJW-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)([NH3+])c1noc(CN2CC[C@]3(CC3(F)F)C2)n1 ZINC000652364419 424316286 /nfs/dbraw/zinc/31/62/86/424316286.db2.gz OIIHTWWPIPASBQ-NSHDSACASA-N 2 0 272.299 1.495 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000519151170 265339357 /nfs/dbraw/zinc/33/93/57/265339357.db2.gz HJJBIXZDBMVJFZ-SLEUVZQESA-N 2 0 290.411 1.380 10 0 CDAERP [NH3+]CCN(CCc1ccccc1)C(=O)[C@H]1CCC[NH2+]CC1 ZINC000653139136 424356180 /nfs/dbraw/zinc/35/61/80/424356180.db2.gz UVFCMBVQHMXBQX-INIZCTEOSA-N 2 0 289.423 1.406 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000653142676 424365581 /nfs/dbraw/zinc/36/55/81/424365581.db2.gz SKSLSQIOANOKSK-AWEZNQCLSA-N 2 0 273.380 1.060 10 0 CDAERP C[C@@H]1CC[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)CS1 ZINC000655698672 424436314 /nfs/dbraw/zinc/43/63/14/424436314.db2.gz SCCJIZKJILTEDH-MCIONIFRSA-N 2 0 272.458 1.707 10 0 CDAERP C[C@@H](C[NH2+][C@@H]1CC[C@@H](C)SC1)N1CC[NH+](C)CC1 ZINC000655715059 424484119 /nfs/dbraw/zinc/48/41/19/424484119.db2.gz IMPAICHVIQEJPP-BFHYXJOUSA-N 2 0 271.474 1.496 10 0 CDAERP COC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1CCOCC1 ZINC000665236869 424470702 /nfs/dbraw/zinc/47/07/02/424470702.db2.gz VQGMCZNIGDFCKF-QXSJWSMHSA-N 2 0 282.428 1.406 10 0 CDAERP CC[NH+](CC)CC(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000177043948 279086424 /nfs/dbraw/zinc/08/64/24/279086424.db2.gz VTKDGHBADLEFKR-CYBMUJFWSA-N 2 0 255.406 1.271 10 0 CDAERP C[C@@H]1NC(=O)CC[C@H]1[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000392918879 270336219 /nfs/dbraw/zinc/33/62/19/270336219.db2.gz WZQPYAZDMKMGRN-YNEHKIRRSA-N 2 0 253.390 1.118 10 0 CDAERP Cc1cnn(CC[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1 ZINC000397250197 270347952 /nfs/dbraw/zinc/34/79/52/270347952.db2.gz CFXRARSWBHKOCI-IHRRRGAJSA-N 2 0 250.390 1.497 10 0 CDAERP CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C1(C)C ZINC000530178830 271133104 /nfs/dbraw/zinc/13/31/04/271133104.db2.gz OIHPXCBVRQLFCI-YVECIDJPSA-N 2 0 252.402 1.920 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[N@H+](C)C(C)C ZINC001667770929 1173322656 /nfs/dbraw/zinc/32/26/56/1173322656.db2.gz OJNADSLXOXXIME-KBPBESRZSA-N 2 0 269.433 1.610 10 0 CDAERP CC(C)c1ccc([C@H]([NH3+])CNC(=O)NCCC[NH3+])cc1 ZINC000418310738 276057950 /nfs/dbraw/zinc/05/79/50/276057950.db2.gz KJZZPDIWIMAWHS-CQSZACIVSA-N 2 0 278.400 1.458 10 0 CDAERP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CC1CC[NH+](C)CC1 ZINC000347513369 278190778 /nfs/dbraw/zinc/19/07/78/278190778.db2.gz DJUWYQRLWYFTQT-LSDHHAIUSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](CNC(=O)N[C@@H]1CCCC[NH2+]C1)C[NH+]1CCCCC1 ZINC000333939600 278203134 /nfs/dbraw/zinc/20/31/34/278203134.db2.gz NHWLDDBUUNWOGM-HUUCEWRRSA-N 2 0 296.459 1.550 10 0 CDAERP C[C@H]([NH2+]C[C@H](c1ccco1)N(C)C)[C@H]1CC[NH2+]C1 ZINC000400331520 278263868 /nfs/dbraw/zinc/26/38/68/278263868.db2.gz BZBBVKYSIHCZSJ-RWMBFGLXSA-N 2 0 251.374 1.470 10 0 CDAERP CC1(C)NC(=O)CC[C@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000338783783 278405498 /nfs/dbraw/zinc/40/54/98/278405498.db2.gz WIQAUYKZWZQVTJ-CQSZACIVSA-N 2 0 279.428 1.508 10 0 CDAERP CC[NH+](CC(C)C[N@@H+](CC)[C@H]1CCOC1)[C@H]1CCOC1 ZINC000361589877 279063308 /nfs/dbraw/zinc/06/33/08/279063308.db2.gz RRPWSZIWHZQGCN-HOTGVXAUSA-N 2 0 284.444 1.844 10 0 CDAERP CC[NH+](CC)CCN1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000119661249 279104341 /nfs/dbraw/zinc/10/43/41/279104341.db2.gz LLXHGWCDQTZDML-MRXNPFEDSA-N 2 0 282.476 1.040 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CC2)C1 ZINC000426364937 279321881 /nfs/dbraw/zinc/32/18/81/279321881.db2.gz JJKQTMAMFYCLQJ-JSGCOSHPSA-N 2 0 265.401 1.214 10 0 CDAERP C[C@H](C[NH2+][C@H]1CCCc2n[nH]cc21)CN1CC[NH+](C)CC1 ZINC000367599112 279352639 /nfs/dbraw/zinc/35/26/39/279352639.db2.gz XPHLZLVNTCUGDL-HIFRSBDPSA-N 2 0 291.443 1.260 10 0 CDAERP CC[NH2+]CCNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000417928003 279502456 /nfs/dbraw/zinc/50/24/56/279502456.db2.gz GNGTUZGBUGAEIA-UHFFFAOYSA-N 2 0 270.421 1.016 10 0 CDAERP CC[C@@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000130274579 279634349 /nfs/dbraw/zinc/63/43/49/279634349.db2.gz RUEXBEQCJLGBFV-OAHLLOKOSA-N 2 0 275.396 1.636 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](C)C[NH+]2CCCC2)C1 ZINC000194157375 280025914 /nfs/dbraw/zinc/02/59/14/280025914.db2.gz RJNJXMWDMFJMSV-HUUCEWRRSA-N 2 0 296.459 1.502 10 0 CDAERP C[C@]1(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC[NH2+]C1 ZINC000237540412 280146764 /nfs/dbraw/zinc/14/67/64/280146764.db2.gz DFEPGXXCKTWPJI-INIZCTEOSA-N 2 0 279.428 1.509 10 0 CDAERP CCC[C@H](C(=O)NCC[N@@H+]1CCC[C@@H](C)C1)[NH+](C)C ZINC000245642567 280225517 /nfs/dbraw/zinc/22/55/17/280225517.db2.gz BJJUWTMXVOKLRF-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP C[NH+](C)[C@@H]1CCN(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000246935937 280311200 /nfs/dbraw/zinc/31/12/00/280311200.db2.gz HHXVRMPUOOIWQS-BFHYXJOUSA-N 2 0 282.432 1.205 10 0 CDAERP CCCCOC[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000248658547 280372002 /nfs/dbraw/zinc/37/20/02/280372002.db2.gz UIEMUVSYPWDZDR-BZUAXINKSA-N 2 0 286.460 1.826 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+]Cc2ccnc(C)c2)CC1 ZINC000527639647 281165723 /nfs/dbraw/zinc/16/57/23/281165723.db2.gz HFNZEZSJHPEDNY-UHFFFAOYSA-N 2 0 276.428 1.507 10 0 CDAERP CC[C@H]1CN(CCC[NH+](CC)CC)CC[N@@H+]1C[C@@H](C)O ZINC000191483762 281166978 /nfs/dbraw/zinc/16/69/78/281166978.db2.gz CCBCXROHZJJEKS-CVEARBPZSA-N 2 0 285.476 1.495 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000094648805 288302899 /nfs/dbraw/zinc/30/28/99/288302899.db2.gz JEVMLSGOXGQWGU-AAVRWANBSA-N 2 0 265.401 1.070 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC1COC1 ZINC000527817691 281194209 /nfs/dbraw/zinc/19/42/09/281194209.db2.gz OPZYMWMHLDJLAG-UHFFFAOYSA-N 2 0 258.325 1.312 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCC[NH2+]C1CCCCCC1 ZINC000418447437 288324499 /nfs/dbraw/zinc/32/44/99/288324499.db2.gz PPOQRUGHAYNARS-UKRRQHHQSA-N 2 0 296.459 1.596 10 0 CDAERP C[NH+](C)CCCC[NH2+]C1CCN(c2cnccn2)CC1 ZINC000532491760 281990211 /nfs/dbraw/zinc/99/02/11/281990211.db2.gz BOWUTHNGMDXHDX-UHFFFAOYSA-N 2 0 277.416 1.377 10 0 CDAERP C[NH+](C)C1(CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)CCCCC1 ZINC000091545977 282040782 /nfs/dbraw/zinc/04/07/82/282040782.db2.gz TURZSAZXDWNCFV-CHWSQXEVSA-N 2 0 267.417 1.495 10 0 CDAERP C[NH+](C)CC1(CNC(=O)NC[C@@H]2CCC[N@@H+]2C)CCCC1 ZINC000185795121 282070760 /nfs/dbraw/zinc/07/07/60/282070760.db2.gz GLIOMQCECXJYFQ-AWEZNQCLSA-N 2 0 296.459 1.502 10 0 CDAERP CC[C@H](C(=O)N(CC)CC[NH2+]CC1CCC1)[NH+](C)C ZINC001668619718 1173432783 /nfs/dbraw/zinc/43/27/83/1173432783.db2.gz RVOMAWLDTGJPBT-CQSZACIVSA-N 2 0 269.433 1.565 10 0 CDAERP COCC[C@H](COC)[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000311804510 292694246 /nfs/dbraw/zinc/69/42/46/292694246.db2.gz KYDMFYQTNMJTEZ-RBSFLKMASA-N 2 0 272.433 1.938 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000153456250 289170282 /nfs/dbraw/zinc/17/02/82/289170282.db2.gz QXJHLAIXYZKXCW-JXQTWKCFSA-N 2 0 267.417 1.317 10 0 CDAERP C[NH+](C)CC[C@H](NC(=O)NCCC[NH3+])C(C)(C)C ZINC000417679930 289183262 /nfs/dbraw/zinc/18/32/62/289183262.db2.gz MTYRYGGWTZNNBV-NSHDSACASA-N 2 0 258.410 1.001 10 0 CDAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CCC(C(N)=O)CC1 ZINC000093515546 289735305 /nfs/dbraw/zinc/73/53/05/289735305.db2.gz HNFBLTOPXULZHT-XSCHDIRWSA-N 2 0 281.444 1.931 10 0 CDAERP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H]2CCC[C@H]2C2CC2)CC1 ZINC000562996394 293238466 /nfs/dbraw/zinc/23/84/66/293238466.db2.gz BOZUTLXXJRWQSA-BBWFWOEESA-N 2 0 295.471 1.011 10 0 CDAERP CCC1(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CCCC1 ZINC000562997795 293239314 /nfs/dbraw/zinc/23/93/14/293239314.db2.gz XBQYKQUYAXHGER-HNNXBMFYSA-N 2 0 283.460 1.155 10 0 CDAERP C[NH+]1CCN(C[C@H](O)C[NH2+]CCC2=CCCCCC2)CC1 ZINC000564870643 293439267 /nfs/dbraw/zinc/43/92/67/293439267.db2.gz AKIZRJNDZXTCRL-QGZVFWFLSA-N 2 0 295.471 1.465 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000570784722 294306135 /nfs/dbraw/zinc/30/61/35/294306135.db2.gz NGKLLKITWZZOGR-DZGCQCFKSA-N 2 0 296.459 1.406 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)CCCC[NH3+] ZINC000574154558 294955096 /nfs/dbraw/zinc/95/50/96/294955096.db2.gz JFMMLFBDQBJDDX-STQMWFEESA-N 2 0 255.406 1.495 10 0 CDAERP [NH3+]CCCNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000418308650 295230688 /nfs/dbraw/zinc/23/06/88/295230688.db2.gz GQJGYFBIJQGVDP-HNNXBMFYSA-N 2 0 296.459 1.633 10 0 CDAERP [NH3+][C@@H]1CCC[C@H](C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C1 ZINC000250810383 295310511 /nfs/dbraw/zinc/31/05/11/295310511.db2.gz DDSZGSQPSYMIOR-MJBXVCDLSA-N 2 0 265.401 1.201 10 0 CDAERP COc1ccccc1/C=C\C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000415140666 295347716 /nfs/dbraw/zinc/34/77/16/295347716.db2.gz LIJKDNIYHFJNOH-XQRVVYSFSA-N 2 0 276.380 1.494 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC1CCC1 ZINC001668976578 1173485649 /nfs/dbraw/zinc/48/56/49/1173485649.db2.gz BFBZYXUYMGJWDI-PYLYLYNFSA-N 2 0 265.401 1.143 10 0 CDAERP CC(C)[C@H](C(=O)NC/C=C/C[NH2+]CC1CC1)[NH+](C)C ZINC001669027551 1173495207 /nfs/dbraw/zinc/49/52/07/1173495207.db2.gz TZJSOHCIACBZBF-VBROQKIQSA-N 2 0 267.417 1.245 10 0 CDAERP COC1CC[NH+](CC2(C[NH2+]C(C)C)CCOCC2)CC1 ZINC000052181518 522700825 /nfs/dbraw/zinc/70/08/25/522700825.db2.gz YMRYHGUKCGTPNJ-UHFFFAOYSA-N 2 0 284.444 1.892 10 0 CDAERP C[C@H](CC(=O)N1CCC[C@H]1C[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC000156178159 298291333 /nfs/dbraw/zinc/29/13/33/298291333.db2.gz YWRTYDQFDCFXBE-KFWWJZLASA-N 2 0 281.444 1.565 10 0 CDAERP Cc1ccc([C@H](CNC(=O)N[C@H](C)[C@H](C)[NH3+])[NH+](C)C)cc1 ZINC000417313327 301794909 /nfs/dbraw/zinc/79/49/09/301794909.db2.gz PBYWQNYGUMGQPQ-GUTXKFCHSA-N 2 0 292.427 1.633 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C)C[NH2+]CC1CCCC1)[NH+](C)C ZINC001669450646 1173550856 /nfs/dbraw/zinc/55/08/56/1173550856.db2.gz KTRRAEFZWJAEFX-OCCSQVGLSA-N 2 0 269.433 1.611 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000089458399 303425446 /nfs/dbraw/zinc/42/54/46/303425446.db2.gz KYRDBLTVMKTLPG-UKRRQHHQSA-N 2 0 279.428 1.448 10 0 CDAERP Cc1ccc(CC[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C)cc1 ZINC001669657548 1173582429 /nfs/dbraw/zinc/58/24/29/1173582429.db2.gz ISQHFHMFABFTMY-HNNXBMFYSA-N 2 0 291.439 1.584 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C[N@H+](C)CC=C(C)C)[NH+](C)C ZINC001669832027 1173616232 /nfs/dbraw/zinc/61/62/32/1173616232.db2.gz AICROUPKVQTHNT-ZIAGYGMSSA-N 2 0 269.433 1.729 10 0 CDAERP CN(CCC[NH2+]CC1CCC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001670042263 1173648630 /nfs/dbraw/zinc/64/86/30/1173648630.db2.gz WKIVBCLUDJJADV-AWEZNQCLSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)CC[C@H]2CCCC[N@@H+]2C)CC[NH2+]1 ZINC000563623474 316345010 /nfs/dbraw/zinc/34/50/10/316345010.db2.gz LNBDAOQHUFMEPR-MGPQQGTHSA-N 2 0 267.417 1.508 10 0 CDAERP CC1CCC(C)(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CC1 ZINC000569921380 316874862 /nfs/dbraw/zinc/87/48/62/316874862.db2.gz YGGZJZSHCAUDDQ-AQFXKWCLSA-N 2 0 297.487 1.401 10 0 CDAERP CC(C)OC[C@@H](O)C[NH2+]Cc1ccc(CC[NH+](C)C)cc1 ZINC000575917151 317037773 /nfs/dbraw/zinc/03/77/73/317037773.db2.gz KQRUGAGTSIHPSM-KRWDZBQOSA-N 2 0 294.439 1.666 10 0 CDAERP CSC[C@H](O)C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000576271445 317107463 /nfs/dbraw/zinc/10/74/63/317107463.db2.gz AUDHQIHYZYMCHC-GFCCVEGCSA-N 2 0 251.355 1.148 10 0 CDAERP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1cn2ccccc2n1 ZINC000576529272 317157255 /nfs/dbraw/zinc/15/72/55/317157255.db2.gz NPBCLIDPBRWKDC-CYBMUJFWSA-N 2 0 276.384 1.563 10 0 CDAERP CCCCC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001672332306 1173767106 /nfs/dbraw/zinc/76/71/06/1173767106.db2.gz DTKTWOGXIHPFNU-JKSUJKDBSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)C[C@H]([NH3+])c1noc([C@@H]2C[C@@]23CC[NH2+]C3)n1 ZINC000577750583 317398512 /nfs/dbraw/zinc/39/85/12/317398512.db2.gz MOICHPOVZBWKOY-OUJBWJOFSA-N 2 0 250.346 1.583 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CCC2CC2)C1 ZINC001672840456 1173803616 /nfs/dbraw/zinc/80/36/16/1173803616.db2.gz WQXPHXLZQYZMKO-JKSUJKDBSA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)=CC[NH2+]CC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001672859144 1173805945 /nfs/dbraw/zinc/80/59/45/1173805945.db2.gz QCTOKFGDKUIFIC-OAHLLOKOSA-N 2 0 281.444 1.733 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)N(C)CCC[NH+](C)C ZINC000185384543 323388976 /nfs/dbraw/zinc/38/89/76/323388976.db2.gz ZPLRKZCMWVWODH-CQSZACIVSA-N 2 0 284.448 1.454 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)N(C)CCC[NH+](C)C ZINC000185384525 323389074 /nfs/dbraw/zinc/38/90/74/323389074.db2.gz ZPLRKZCMWVWODH-AWEZNQCLSA-N 2 0 284.448 1.454 10 0 CDAERP CCC1([NH2+]CCCF)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001673610282 1173872892 /nfs/dbraw/zinc/87/28/92/1173872892.db2.gz RRDFRSIQVSMQNJ-UHFFFAOYSA-N 2 0 287.423 1.659 10 0 CDAERP C[C@@H]1CN(C(=O)CC[C@H]2CCCC[N@@H+]2C)C[C@@H](C)[NH2+]1 ZINC000579834851 324295670 /nfs/dbraw/zinc/29/56/70/324295670.db2.gz XOAGOTZKRAKHLL-MGPQQGTHSA-N 2 0 267.417 1.460 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH2+][C@@H]2C)[C@H](C)C1 ZINC000582847507 325056166 /nfs/dbraw/zinc/05/61/66/325056166.db2.gz RRHQNLQVNXDHJO-SYQHCUMBSA-N 2 0 267.417 1.173 10 0 CDAERP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCC1([NH3+])CCCCCC1 ZINC000583014188 325088818 /nfs/dbraw/zinc/08/88/18/325088818.db2.gz JIWXUTVQIARMTB-QWHCGFSZSA-N 2 0 282.432 1.430 10 0 CDAERP CC(C)C[C@@H]([NH3+])c1noc(C[C@H]2CSCC[NH2+]2)n1 ZINC000583752514 325234397 /nfs/dbraw/zinc/23/43/97/325234397.db2.gz NDTCHQMPDFFWRO-VHSXEESVSA-N 2 0 270.402 1.363 10 0 CDAERP C[C@@H]1CCCC[C@@H]1CC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000584168159 327055324 /nfs/dbraw/zinc/05/53/24/327055324.db2.gz UXDYONWVLSZHHU-BRWVUGGUSA-N 2 0 297.487 1.401 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCC2CC[NH+](C3CC3)CC2)CC[NH2+]1 ZINC000584171436 327056891 /nfs/dbraw/zinc/05/68/91/327056891.db2.gz YOWQIHPNJYZFSB-JSGCOSHPSA-N 2 0 279.428 1.365 10 0 CDAERP CCCC[NH2+][C@H](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001267129629 1159131629 /nfs/dbraw/zinc/13/16/29/1159131629.db2.gz UKBOTXNGJNGXJV-UKRRQHHQSA-N 2 0 281.444 1.613 10 0 CDAERP Cc1ncccc1C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001267354383 1159293089 /nfs/dbraw/zinc/29/30/89/1159293089.db2.gz LAKNGYYDKSGJLR-OAHLLOKOSA-N 2 0 290.411 1.032 10 0 CDAERP CC[C@H](C(=O)N(C)CC[NH2+]CCc1cccs1)[NH+](C)C ZINC001267389681 1159364541 /nfs/dbraw/zinc/36/45/41/1159364541.db2.gz AUPLTQSIJGGASR-CQSZACIVSA-N 2 0 297.468 1.679 10 0 CDAERP Cc1oncc1C[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001267416012 1159373329 /nfs/dbraw/zinc/37/33/29/1159373329.db2.gz ZUOUXKJQEWBLQD-AWEZNQCLSA-N 2 0 294.399 1.015 10 0 CDAERP C[C@@H](C[NH2+]CCC(C)(C)C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001699427087 1159630776 /nfs/dbraw/zinc/63/07/76/1159630776.db2.gz MPFJJAJMTRUYGW-KBPBESRZSA-N 2 0 283.460 1.859 10 0 CDAERP CCC[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001699459797 1159660384 /nfs/dbraw/zinc/66/03/84/1159660384.db2.gz IUUFYEZGUCLUAC-OLZOCXBDSA-N 2 0 255.406 1.175 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]C/C=C\Cl ZINC001671373617 1159661163 /nfs/dbraw/zinc/66/11/63/1159661163.db2.gz QGXZOTWJHBAVQK-SCXUMTSISA-N 2 0 287.835 1.661 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CC)[NH2+]CC ZINC001481815460 1159948572 /nfs/dbraw/zinc/94/85/72/1159948572.db2.gz CJSZVTCHBIGNEG-QWHCGFSZSA-N 2 0 255.406 1.365 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CCF)C1CC1 ZINC001269084323 1160028840 /nfs/dbraw/zinc/02/88/40/1160028840.db2.gz KBYADTIFKDLUQN-HUUCEWRRSA-N 2 0 299.434 1.561 10 0 CDAERP CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]CCCF ZINC001269174139 1160040169 /nfs/dbraw/zinc/04/01/69/1160040169.db2.gz JANUDQMSKXXYCN-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP CO[C@@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1CCCC1 ZINC000668302307 482362989 /nfs/dbraw/zinc/36/29/89/482362989.db2.gz DJHUYCCFCJMSHN-OAHLLOKOSA-N 2 0 299.459 1.143 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)C1CCC([NH3+])CC1 ZINC000226396570 482432726 /nfs/dbraw/zinc/43/27/26/482432726.db2.gz CHDFNVZNZMLMCG-PNESKVBLSA-N 2 0 255.406 1.350 10 0 CDAERP C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652337170 482462668 /nfs/dbraw/zinc/46/26/68/482462668.db2.gz PCBOHISPCHVMQN-DOMZBBRYSA-N 2 0 287.407 1.418 10 0 CDAERP [NH3+]C1(CC(=O)NCC2([NH3+])CCCCCC2)CCC1 ZINC000669509077 482512138 /nfs/dbraw/zinc/51/21/38/482512138.db2.gz OJMIBTYITGLKGG-UHFFFAOYSA-N 2 0 253.390 1.426 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000669514111 482534053 /nfs/dbraw/zinc/53/40/53/482534053.db2.gz XCEAMRUMLPJVSD-BPLDGKMQSA-N 2 0 275.396 1.581 10 0 CDAERP C[N@H+](CCNC(=O)NC/C=C\C[NH3+])Cc1ccc(F)cc1 ZINC000669518069 482543380 /nfs/dbraw/zinc/54/33/80/482543380.db2.gz YTJYYEPZZQBUBL-IHWYPQMZSA-N 2 0 294.374 1.072 10 0 CDAERP COC[C@@H](C)C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000682157164 482614898 /nfs/dbraw/zinc/61/48/98/482614898.db2.gz ZKOOFQSGQDVKOD-INIZCTEOSA-N 2 0 297.487 1.759 10 0 CDAERP COC1CCN(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000671750255 482616533 /nfs/dbraw/zinc/61/65/33/482616533.db2.gz RZVWRYMEZUGLAQ-GVDBMIGSSA-N 2 0 295.471 1.560 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000417839480 482643837 /nfs/dbraw/zinc/64/38/37/482643837.db2.gz WPLUEPVWXDZRFK-GRYCIOLGSA-N 2 0 253.390 1.151 10 0 CDAERP C[NH+](C)CCc1ccc(CNC(=O)NC/C=C/C[NH3+])cc1 ZINC000669567404 482711025 /nfs/dbraw/zinc/71/10/25/482711025.db2.gz XSEKXFUNWCOPBM-ONEGZZNKSA-N 2 0 290.411 1.105 10 0 CDAERP [NH3+][C@@H](Cc1ccccc1)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334348613 482720655 /nfs/dbraw/zinc/72/06/55/482720655.db2.gz SXNFEJYNSLFOIX-RDJZCZTQSA-N 2 0 287.407 1.159 10 0 CDAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCC[C@H](OC)C2)CC1 ZINC000684376906 482780720 /nfs/dbraw/zinc/78/07/20/482780720.db2.gz GPNWQTGOJWMILD-ZACQAIPSSA-N 2 0 297.487 1.807 10 0 CDAERP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000684380040 482782153 /nfs/dbraw/zinc/78/21/53/482782153.db2.gz XUDYLEMCNNETFS-YQQAZPJKSA-N 2 0 295.471 1.702 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000389571510 482837380 /nfs/dbraw/zinc/83/73/80/482837380.db2.gz IRHABXJLNGCYEY-QPSCCSFWSA-N 2 0 279.428 1.508 10 0 CDAERP [NH3+][C@@H](CC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000335849410 482876544 /nfs/dbraw/zinc/87/65/44/482876544.db2.gz MBMZWRONGYDEIT-RDJZCZTQSA-N 2 0 287.407 1.679 10 0 CDAERP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261720848 482920999 /nfs/dbraw/zinc/92/09/99/482920999.db2.gz KAKFQXGDQOYRJY-BYNSBNAKSA-N 2 0 279.428 1.589 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000261970889 482953737 /nfs/dbraw/zinc/95/37/37/482953737.db2.gz MSNXVYYEDQUYTK-TUKIKUTGSA-N 2 0 275.396 1.840 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)N[C@@H]1CC[NH+](CCC)C1 ZINC000666920122 482986205 /nfs/dbraw/zinc/98/62/05/482986205.db2.gz NRRSNVKXMGJBNW-CQSZACIVSA-N 2 0 298.475 1.890 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251378631 483040944 /nfs/dbraw/zinc/04/09/44/483040944.db2.gz YTZXAWFSMOHFAO-FRRDWIJNSA-N 2 0 253.390 1.103 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000251728374 483077584 /nfs/dbraw/zinc/07/75/84/483077584.db2.gz KFPLACDDGBTRMU-MGPQQGTHSA-N 2 0 265.401 1.071 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089458313 483079274 /nfs/dbraw/zinc/07/92/74/483079274.db2.gz LTMSMHTWMJDNLY-UKRRQHHQSA-N 2 0 281.444 1.694 10 0 CDAERP C[NH+](C)C1(CNC(=O)[C@@H]2CCC[C@H]2C[NH3+])CCCCC1 ZINC000089459337 483086032 /nfs/dbraw/zinc/08/60/32/483086032.db2.gz KLSFTSPDAFUJDD-UONOGXRCSA-N 2 0 281.444 1.742 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089459660 483086040 /nfs/dbraw/zinc/08/60/40/483086040.db2.gz IDBSQDHJKMZFHM-JSGCOSHPSA-N 2 0 267.417 1.352 10 0 CDAERP C[NH+](C)CCN(C(=O)C[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000089745458 483129700 /nfs/dbraw/zinc/12/97/00/483129700.db2.gz SOJXZXTUJXKJOI-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP C[NH2+][C@H](C)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000390808346 483140191 /nfs/dbraw/zinc/14/01/91/483140191.db2.gz OGTGGDGUEQAMCF-SQWLQELKSA-N 2 0 289.423 1.621 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000669469235 483180796 /nfs/dbraw/zinc/18/07/96/483180796.db2.gz HJOODAYRQXYCPE-RBSFLKMASA-N 2 0 296.459 1.691 10 0 CDAERP C[C@H](CNC(=O)NC/C=C\C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000669474157 483197140 /nfs/dbraw/zinc/19/71/40/483197140.db2.gz MEMFCNNQEIWHEN-LMVHVUTASA-N 2 0 290.411 1.321 10 0 CDAERP C[C@H]1C[C@@H](C(=O)Nc2cnn(CC[NH+](C)C)c2)CC[N@@H+]1C ZINC000685673682 483205774 /nfs/dbraw/zinc/20/57/74/483205774.db2.gz UKOZFCXVXANYKV-STQMWFEESA-N 2 0 293.415 1.114 10 0 CDAERP C(C1CC[NH2+]CC1)[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000682704068 483335881 /nfs/dbraw/zinc/33/58/81/483335881.db2.gz OHYNSTJRFFJGSG-UHFFFAOYSA-N 2 0 289.427 1.403 10 0 CDAERP C[NH+]1CCC(CCNC(=O)[C@H]2CCc3nc[nH]c3C2)CC1 ZINC000667771151 483418619 /nfs/dbraw/zinc/41/86/19/483418619.db2.gz RKHQMHCLEOXQSU-ZDUSSCGKSA-N 2 0 290.411 1.363 10 0 CDAERP C[C@@H](NC(=O)N[C@@H]1CCC[N@H+](C)C1)C1=CC[NH+](C)CC1 ZINC000679686409 483422008 /nfs/dbraw/zinc/42/20/08/483422008.db2.gz MSXVFSYKEGSXHM-TZMCWYRMSA-N 2 0 280.416 1.030 10 0 CDAERP CC(C)CN(CC[NH+](C)C)Cc1ccc(C[NH3+])o1 ZINC000052503323 519716836 /nfs/dbraw/zinc/71/68/36/519716836.db2.gz WLKVDEPHBCVMMO-UHFFFAOYSA-N 2 0 253.390 1.758 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001707259264 1177984586 /nfs/dbraw/zinc/98/45/86/1177984586.db2.gz GNTARROIHQGKHY-MJBXVCDLSA-N 2 0 269.433 1.563 10 0 CDAERP CC[NH2+]CC(C)(C)CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062970470 519912007 /nfs/dbraw/zinc/91/20/07/519912007.db2.gz ZJXLNCGSXGYBAK-CQSZACIVSA-N 2 0 253.434 1.792 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001707381466 1177993833 /nfs/dbraw/zinc/99/38/33/1177993833.db2.gz PYZQSVISWIYTRG-CYBMUJFWSA-N 2 0 287.423 1.657 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000061267225 519963706 /nfs/dbraw/zinc/96/37/06/519963706.db2.gz ITORSEPEPYFUHY-STQMWFEESA-N 2 0 257.422 1.325 10 0 CDAERP CC[NH2+]Cc1ccoc1CN(C)C1CC[NH+](C)CC1 ZINC000052419814 520010962 /nfs/dbraw/zinc/01/09/62/520010962.db2.gz FCVFGOKHBFGKTK-UHFFFAOYSA-N 2 0 265.401 1.915 10 0 CDAERP CCN[C@@](C)(C[C@H](C)[N@H+](C)C[C@@H]1CC[NH+](C)C1)C(=O)OC ZINC000068646531 520145179 /nfs/dbraw/zinc/14/51/79/520145179.db2.gz BEQOHEMGQMPMSX-LZWOXQAQSA-N 2 0 299.459 1.190 10 0 CDAERP CCO[C@@H](C[NH3+])CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062741298 520306892 /nfs/dbraw/zinc/30/68/92/520306892.db2.gz NMMBVCBWBWHHEV-MRXNPFEDSA-N 3 0 283.460 1.548 10 0 CDAERP C[NH+](C)CCN1CC[NH+]([C@@H]2CCCCC[C@H]2C[NH3+])CC1 ZINC000061642678 521763417 /nfs/dbraw/zinc/76/34/17/521763417.db2.gz CSOPJKFJJUFYJH-JKSUJKDBSA-N 3 0 282.476 1.073 10 0 CDAERP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]C/C=C\Cl ZINC001715075109 1179540172 /nfs/dbraw/zinc/54/01/72/1179540172.db2.gz WFGTYTVWZNFIOG-JPVGGKMYSA-N 2 0 261.797 1.175 10 0 CDAERP C(CN1CCC(C[NH+]2CCCC2)CC1)[NH2+]C1CCOCC1 ZINC000062767919 518386631 /nfs/dbraw/zinc/38/66/31/518386631.db2.gz QQQWLYFSNSDJAH-UHFFFAOYSA-N 2 0 295.471 1.563 10 0 CDAERP CC(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000236713666 519654014 /nfs/dbraw/zinc/65/40/14/519654014.db2.gz WFSQVCGLHXOUBZ-HZPDHXFCSA-N 2 0 295.471 1.988 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)[C@]1(C)CC[NH2+]C1 ZINC000062896375 519716168 /nfs/dbraw/zinc/71/61/68/519716168.db2.gz OHARXEZIRSVDKT-CQSZACIVSA-N 2 0 255.406 1.032 10 0 CDAERP CC(C)C[NH+]1CCN(c2ccnc(C(N)=[NH2+])c2)CC1 ZINC000061814394 519728893 /nfs/dbraw/zinc/72/88/93/519728893.db2.gz UGKPEZLYGDKWCC-UHFFFAOYSA-N 2 0 261.373 1.144 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)C[C@@H]2CCCO2)O1 ZINC000052541076 519746150 /nfs/dbraw/zinc/74/61/50/519746150.db2.gz PVTGIWKAHYCZDW-PMPSAXMXSA-N 2 0 284.444 1.890 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)C[C@H]1CCCC[NH2+]1 ZINC000049560239 519775057 /nfs/dbraw/zinc/77/50/57/519775057.db2.gz LSWJDPPVGHJBGB-KGLIPLIRSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)C1CCC([NH3+])CC1 ZINC000049220816 519793107 /nfs/dbraw/zinc/79/31/07/519793107.db2.gz BQYAEFDLRSQDBG-WXRRBKDZSA-N 2 0 255.406 1.206 10 0 CDAERP CCC[NH+]1CCC(NC(=O)C[C@@H](C)[NH2+]CC)CC1 ZINC000061273709 519845022 /nfs/dbraw/zinc/84/50/22/519845022.db2.gz PNBXYVYEMLLDQY-GFCCVEGCSA-N 2 0 255.406 1.365 10 0 CDAERP CCC[NH+]1CCN([C@@H](C[NH2+]C2CC2)C(C)C)CC1 ZINC000052421700 519859534 /nfs/dbraw/zinc/85/95/34/519859534.db2.gz GCEBOOGLCRBLCM-HNNXBMFYSA-N 2 0 253.434 1.791 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000061296410 519904138 /nfs/dbraw/zinc/90/41/38/519904138.db2.gz SGMXCOIISBVCHP-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCN1CCOCC1 ZINC000054627970 519907817 /nfs/dbraw/zinc/90/78/17/519907817.db2.gz YKXCBZCQPPIKEE-ALOPSCKCSA-N 2 0 295.471 1.704 10 0 CDAERP CC[NH2+]CCC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000061296626 519915553 /nfs/dbraw/zinc/91/55/53/519915553.db2.gz FFCCRSUDYMBRKS-UHFFFAOYSA-N 2 0 269.433 1.565 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000061268449 519934749 /nfs/dbraw/zinc/93/47/49/519934749.db2.gz GENVQRBHDIHMPT-OLZOCXBDSA-N 2 0 255.406 1.175 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@@H](C[NH+]2CCN(C3CC3)CC2)O1 ZINC000052371395 519938551 /nfs/dbraw/zinc/93/85/51/519938551.db2.gz HBMLCEYFUVPETL-CVEARBPZSA-N 2 0 281.444 1.314 10 0 CDAERP CC[NH2+]C[C@H](C(C)C)N1CC[NH+](CC(C)C)CC1 ZINC000055083079 519957859 /nfs/dbraw/zinc/95/78/59/519957859.db2.gz GAOMUVVCJFMTIG-OAHLLOKOSA-N 2 0 255.450 1.894 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@H](C[N@H+](C)CCc2ccncc2)O1 ZINC000052483145 519979585 /nfs/dbraw/zinc/97/95/85/519979585.db2.gz ZCGPHWMXCJYVNH-HZPDHXFCSA-N 2 0 277.412 1.713 10 0 CDAERP CC[NH2+]C[C@]1(C[N@@H+]2CCC[C@@H]2CCCO)CCOC1 ZINC000052763414 519983282 /nfs/dbraw/zinc/98/32/82/519983282.db2.gz IOEGWWPNXHTKPA-CABCVRRESA-N 2 0 270.417 1.240 10 0 CDAERP CC[NH2+]Cc1cccc(N2CC[NH+](CC(C)C)CC2)n1 ZINC000055082596 520005037 /nfs/dbraw/zinc/00/50/37/520005037.db2.gz VOUJFVFLBWMTFG-UHFFFAOYSA-N 2 0 276.428 1.969 10 0 CDAERP CC[NH2+]Cc1occc1C[N@H+](CCCOC)CCOC ZINC000052543247 520029682 /nfs/dbraw/zinc/02/96/82/520029682.db2.gz QWXLTPSCJXTSGN-UHFFFAOYSA-N 2 0 284.400 1.874 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000061272729 520164826 /nfs/dbraw/zinc/16/48/26/520164826.db2.gz NEPBEBXAXZHLFR-ZIAGYGMSSA-N 2 0 267.417 1.461 10 0 CDAERP CC1(C)NC(=O)CC[C@@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000338599511 520593704 /nfs/dbraw/zinc/59/37/04/520593704.db2.gz UPZIZVJXEYIDCL-ZDUSSCGKSA-N 2 0 267.417 1.509 10 0 CDAERP CCC[C@H]1CC[C@@H](O)[C@H]([NH+]2CCN(CC[NH+](C)C)CC2)C1 ZINC000061652698 521212689 /nfs/dbraw/zinc/21/26/89/521212689.db2.gz CXNSPQXYRFDWRO-GVDBMIGSSA-N 2 0 297.487 1.495 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@@H](C)[C@@H]2[NH3+])CC1 ZINC000055129384 521555778 /nfs/dbraw/zinc/55/57/78/521555778.db2.gz OCKSXKVXNFRMPR-YUELXQCFSA-N 2 0 281.444 1.693 10 0 CDAERP CC[NH+]1CCC(N(C)CC[NH2+]C2CCOCC2)CC1 ZINC000062767826 521560831 /nfs/dbraw/zinc/56/08/31/521560831.db2.gz DFQRNSQVKXOJPO-UHFFFAOYSA-N 2 0 269.433 1.171 10 0 CDAERP CCOc1ccccc1[C@H](CN1CC[C@H]([NH+](C)C)C1)[NH2+]C ZINC000062965056 521589300 /nfs/dbraw/zinc/58/93/00/521589300.db2.gz NFAUGMIEWKNLQE-HOCLYGCPSA-N 2 0 291.439 1.982 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000052521005 521644657 /nfs/dbraw/zinc/64/46/57/521644657.db2.gz OMNYUZSMQSKJGP-AWEZNQCLSA-N 2 0 294.443 1.397 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@H]1CCC[C@H](C[NH3+])C1 ZINC000055162761 521655253 /nfs/dbraw/zinc/65/52/53/521655253.db2.gz AZUPACCRLHIKOI-KBPBESRZSA-N 2 0 269.433 1.552 10 0 CDAERP CC[NH+]1CCN(C[C@H]2CC[C@H](C[NH2+]C(C)C)O2)CC1 ZINC000052422499 521686708 /nfs/dbraw/zinc/68/67/08/521686708.db2.gz ZUJPGLHOALYYDR-HUUCEWRRSA-N 2 0 269.433 1.170 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)C1CCC([NH3+])CC1 ZINC000061644987 521827401 /nfs/dbraw/zinc/82/74/01/521827401.db2.gz ZHSCUUDDGGWHBX-BPCQOVAHSA-N 2 0 253.390 1.057 10 0 CDAERP C[NH2+]C(C)(C)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000061316798 521935160 /nfs/dbraw/zinc/93/51/60/521935160.db2.gz VXXZCOXJWBHWBO-UHFFFAOYSA-N 2 0 255.406 1.364 10 0 CDAERP C[NH2+]C(C)(C)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000061318313 521937119 /nfs/dbraw/zinc/93/71/19/521937119.db2.gz QNZKKSCMLVWVHP-GFCCVEGCSA-N 2 0 279.384 1.531 10 0 CDAERP C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2[C@@H](C)CC[NH+](C)C ZINC000054602896 521952449 /nfs/dbraw/zinc/95/24/49/521952449.db2.gz RZZFFFCOGYLUFA-AVOUXACISA-N 2 0 253.434 1.932 10 0 CDAERP C[NH2+]Cc1cccc(C[N@H+](CCOC)[C@H](C)COC)c1 ZINC000052572307 522126816 /nfs/dbraw/zinc/12/68/16/522126816.db2.gz XABGMKPPWFUPHU-CQSZACIVSA-N 2 0 280.412 1.889 10 0 CDAERP CC[C@H](CC[NH3+])N1CC[NH+](CCOC(C)C)CC1 ZINC000049259266 522128082 /nfs/dbraw/zinc/12/80/82/522128082.db2.gz DPBRBBDGYOVJDS-CQSZACIVSA-N 2 0 257.422 1.156 10 0 CDAERP C[NH2+]Cc1ccccc1N1CC[NH+](CC2CC2)CC1 ZINC000048995528 522137722 /nfs/dbraw/zinc/13/77/22/522137722.db2.gz ZFNQAUYXBBGDFE-UHFFFAOYSA-N 2 0 259.397 1.938 10 0 CDAERP C[NH2+]Cc1oc(C[N@H+](CCOC)[C@@H](C)COC)cc1C ZINC000052572467 522161515 /nfs/dbraw/zinc/16/15/15/522161515.db2.gz OZSJWIYNWCRFPR-ZDUSSCGKSA-N 2 0 284.400 1.791 10 0 CDAERP CCc1nc(N(C)C2CC[NH+](C)CC2)sc1C[NH3+] ZINC000054994888 522378904 /nfs/dbraw/zinc/37/89/04/522378904.db2.gz KDYDHEYOCATIJD-UHFFFAOYSA-N 2 0 268.430 1.695 10 0 CDAERP C[NH2+][C@H](C)c1cnc(N2CC[NH+](C(C)C)CC2)s1 ZINC000054903689 522454886 /nfs/dbraw/zinc/45/48/86/522454886.db2.gz CLGJMJISBNQCMR-LLVKDONJSA-N 2 0 268.430 1.954 10 0 CDAERP C[NH2+][C@H](CN1CCC[C@@H]1C[NH+](C)C)c1ccccc1OC ZINC000061643423 522467179 /nfs/dbraw/zinc/46/71/79/522467179.db2.gz JAFJKLWUYCGXLT-GDBMZVCRSA-N 2 0 291.439 1.982 10 0 CDAERP CN(CC1CC[NH+](C)CC1)c1ccc(C(N)=[NH2+])cn1 ZINC000063120909 522659560 /nfs/dbraw/zinc/65/95/60/522659560.db2.gz KMLZCDRZSWFBBO-UHFFFAOYSA-N 2 0 261.373 1.144 10 0 CDAERP COCC[N@H+](CCCCC[NH2+]C1CC1)[C@@H](C)COC ZINC000052572417 523694272 /nfs/dbraw/zinc/69/42/72/523694272.db2.gz UVTANWMUXOJTAQ-AWEZNQCLSA-N 2 0 272.433 1.892 10 0 CDAERP COCC[NH+](CCOC)C[C@@H]1CC[C@H](C[NH2+]C(C)C)O1 ZINC000052571492 523715215 /nfs/dbraw/zinc/71/52/15/523715215.db2.gz CRNCSQHZULAWOX-CABCVRRESA-N 2 0 288.432 1.127 10 0 CDAERP COCC[N@H+](Cc1occc1C[NH3+])[C@H](C)COC ZINC000052572343 523778599 /nfs/dbraw/zinc/77/85/99/523778599.db2.gz QMAHUSVYYYLETQ-LLVKDONJSA-N 2 0 256.346 1.222 10 0 CDAERP C[N@@H+]1CCCN(c2ncc(C[NH2+]C3CC3)s2)CC1 ZINC000054899100 523813476 /nfs/dbraw/zinc/81/34/76/523813476.db2.gz TWVCWFOJTSRHJH-UHFFFAOYSA-N 2 0 266.414 1.537 10 0 CDAERP CC[C@H](C)[NH+]1CCN(c2ccc(C[NH2+]C)nn2)CC1 ZINC000055073421 523961081 /nfs/dbraw/zinc/96/10/81/523961081.db2.gz HMMSPBUIFHCDPG-LBPRGKRZSA-N 2 0 263.389 1.117 10 0 CDAERP C[NH+](C)C1CCN(C(=O)C[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000055128243 524038494 /nfs/dbraw/zinc/03/84/94/524038494.db2.gz MBAKQUBJKHINJM-QWHCGFSZSA-N 2 0 267.417 1.447 10 0 CDAERP C[NH+](C)CC1CC[NH+](C[C@@H]2CC[C@@H](C[NH2+]C3CC3)O2)CC1 ZINC000052515466 524049795 /nfs/dbraw/zinc/04/97/95/524049795.db2.gz ROXORSRSHCITCW-IRXDYDNUSA-N 3 0 295.471 1.560 10 0 CDAERP C[C@H](CC[NH+](C)C)[NH2+]CCCOCC(F)(F)F ZINC000049557098 524163231 /nfs/dbraw/zinc/16/32/31/524163231.db2.gz FELUOBGIVHBCJB-SNVBAGLBSA-N 2 0 256.312 1.885 10 0 CDAERP C[C@H](CC[NH2+]C1CC1)N1CC[NH+](C(C)(C)C)CC1 ZINC000052571720 524194214 /nfs/dbraw/zinc/19/42/14/524194214.db2.gz HLUPJSRAPGXJMM-CYBMUJFWSA-N 2 0 253.434 1.933 10 0 CDAERP C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1[C@@H](CC[NH3+])c1ccccc1 ZINC000055017017 524570262 /nfs/dbraw/zinc/57/02/62/524570262.db2.gz ZVNYJJZPEYGQFZ-YUELXQCFSA-N 2 0 275.396 1.662 10 0 CDAERP C[C@H]1CN(CCC[NH+](C)C)[C@H](c2ccccc2)C[NH2+]1 ZINC000062658801 524590193 /nfs/dbraw/zinc/59/01/93/524590193.db2.gz FONHWRJCCXAYTN-HOCLYGCPSA-N 2 0 261.413 1.973 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCC[C@@H]1C(=O)NCCCC[NH+](C)C ZINC000055138954 525087257 /nfs/dbraw/zinc/08/72/57/525087257.db2.gz HMNKULDCIGLOMX-AGIUHOORSA-N 2 0 255.406 1.208 10 0 CDAERP Cc1ccsc1[C@H](C[NH3+])N1CCN(CC[NH+](C)C)CC1 ZINC000061642433 525888431 /nfs/dbraw/zinc/88/84/31/525888431.db2.gz NZAOBBCQAWKKIC-AWEZNQCLSA-N 2 0 296.484 1.236 10 0 CDAERP C[C@H](C1CC1)[N@H+](C)CCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000052479169 526204959 /nfs/dbraw/zinc/20/49/59/526204959.db2.gz XDZOPEDAEOARJL-GFCCVEGCSA-N 2 0 279.432 1.897 10 0 CDAERP c1cnc(N2CC[NH+](CCC[C@@H]3CCC[NH2+]3)CC2)nc1 ZINC000052764222 526542182 /nfs/dbraw/zinc/54/21/82/526542182.db2.gz NEJMHSSRIIUNGI-AWEZNQCLSA-N 2 0 275.400 1.131 10 0 CDAERP O=C(CC[C@H]1CCCC[NH2+]1)N[C@@H]1C[NH+]2CCC1CC2 ZINC000050940085 526565576 /nfs/dbraw/zinc/56/55/76/526565576.db2.gz XCGGLKLRJLBQBG-ZIAGYGMSSA-N 2 0 265.401 1.119 10 0 CDAERP NC(=[NH2+])C[C@H](c1ccccc1)[NH+]1CCC(CO)CC1 ZINC000055022648 526817837 /nfs/dbraw/zinc/81/78/37/526817837.db2.gz GISKTXFPRRBJKT-CQSZACIVSA-N 2 0 261.369 1.758 10 0 CDAERP [NH3+]C1CCC(CC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000055140919 527138997 /nfs/dbraw/zinc/13/89/97/527138997.db2.gz YDQPXLUHITZVFH-CVSAEHQPSA-N 2 0 279.428 1.637 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCOCC(F)(F)F ZINC000049313098 527146856 /nfs/dbraw/zinc/14/68/56/527146856.db2.gz CSYMIJONIBFDBC-FGWVZKOKSA-N 2 0 266.307 1.910 10 0 CDAERP [NH3+]CC1(C[NH+]2CCN(c3ccccc3)CC2)CCOCC1 ZINC000052180942 527163742 /nfs/dbraw/zinc/16/37/42/527163742.db2.gz PVCVHDCVOAQIAK-UHFFFAOYSA-N 2 0 289.423 1.564 10 0 CDAERP [NH3+]C[C@@H]1CC[C@H](CN2CCC([NH+]3CCCCC3)CC2)O1 ZINC000052484220 527219708 /nfs/dbraw/zinc/21/97/08/527219708.db2.gz FPFQHUKQCKMDSR-JKSUJKDBSA-N 2 0 281.444 1.443 10 0 CDAERP [NH3+]C[C@H]1CCC[C@@H](C(=O)NCC[NH+]2CCCCC2)C1 ZINC000055162453 527235555 /nfs/dbraw/zinc/23/55/55/527235555.db2.gz QSLFFEHJTDCFBM-UONOGXRCSA-N 2 0 267.417 1.354 10 0 CDAERP [NH3+][C@H](CN1CCC([NH+]2CCCCC2)CC1)C1CC1 ZINC000069074012 527385454 /nfs/dbraw/zinc/38/54/54/527385454.db2.gz CQZQTIKHDKHKJT-OAHLLOKOSA-N 2 0 251.418 1.674 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@H](C)[NH+](CC)CC)C1 ZINC000249741521 534944738 /nfs/dbraw/zinc/94/47/38/534944738.db2.gz JMGBSWPSKXTBRJ-GJZGRUSLSA-N 2 0 298.475 1.748 10 0 CDAERP CCC[NH2+]CCNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000418493524 535163272 /nfs/dbraw/zinc/16/32/72/535163272.db2.gz YMDXPBIEIRTLPE-HNNXBMFYSA-N 2 0 296.459 1.646 10 0 CDAERP CCN(CC)C(=O)C1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420293812 535397877 /nfs/dbraw/zinc/39/78/77/535397877.db2.gz ALZKBEFVJNPRTI-HNNXBMFYSA-N 2 0 295.471 1.957 10 0 CDAERP CC[C@]1(C(=O)N2CCC([NH+]3CCCC3)CC2)CCC[NH2+]1 ZINC000128959243 535878120 /nfs/dbraw/zinc/87/81/20/535878120.db2.gz ORRMRVHMRULMKQ-MRXNPFEDSA-N 2 0 279.428 1.605 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCOc1ccc(F)cc1F ZINC000422814833 536595063 /nfs/dbraw/zinc/59/50/63/536595063.db2.gz AHCUDGWYDHSGMO-GFCCVEGCSA-N 2 0 288.338 1.687 10 0 CDAERP COC(=O)c1ccc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)nc1 ZINC000094763051 536665379 /nfs/dbraw/zinc/66/53/79/536665379.db2.gz UWJYHZAPZGSVAW-GFCCVEGCSA-N 2 0 277.368 1.429 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCc1cccc(C)c1 ZINC000234786326 536850260 /nfs/dbraw/zinc/85/02/60/536850260.db2.gz LUOJCVHJEXAVGQ-HNNXBMFYSA-N 2 0 250.386 1.881 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=S)NCC[NH+](C)C)[C@@H](C)C1 ZINC000741487194 576561564 /nfs/dbraw/zinc/56/15/64/576561564.db2.gz JYYPUDXOCXXION-STQMWFEESA-N 2 0 286.489 1.085 10 0 CDAERP C[NH+](C)C1(C(=O)NCC[N@@H+](C)C2CCCCC2)CCC1 ZINC000763027317 576701499 /nfs/dbraw/zinc/70/14/99/576701499.db2.gz CDFQTFZCTTUQHE-UHFFFAOYSA-N 2 0 281.444 1.851 10 0 CDAERP CC[N@H+](CC(=O)NC)Cc1cc(-n2ccnc2)cs1 ZINC000753535421 577176237 /nfs/dbraw/zinc/17/62/37/577176237.db2.gz DOUAZXDMMICJBQ-UHFFFAOYSA-N 2 0 278.381 1.502 10 0 CDAERP CCC/C=C/CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001690298890 1175430024 /nfs/dbraw/zinc/43/00/24/1175430024.db2.gz WNSZKQTWXZJAOI-YLGZPNTESA-N 2 0 293.455 1.921 10 0 CDAERP CC1(C)C[C@@H]([NH2+]CCSCCCO)C[C@@H]([NH3+])C1 ZINC000925608018 617550110 /nfs/dbraw/zinc/55/01/10/617550110.db2.gz DYCAMXNZYNJNNL-NEPJUHHUSA-N 2 0 260.447 1.598 10 0 CDAERP CC1(CC[NH2+][C@@H]2CC[NH2+]C23CCCC3)OCCO1 ZINC000925640418 617584694 /nfs/dbraw/zinc/58/46/94/617584694.db2.gz SFIOHMBVQZIOHA-GFCCVEGCSA-N 2 0 254.374 1.404 10 0 CDAERP CC1(C)[C@@H]([NH2+]C[C@@]2(C)CCC(=O)N2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925686896 617676269 /nfs/dbraw/zinc/67/62/69/617676269.db2.gz ZEYPNUOAAFFCNA-GVUJHPQVSA-N 2 0 265.401 1.021 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCCc2cccnc21 ZINC000925872274 617933356 /nfs/dbraw/zinc/93/33/56/617933356.db2.gz RCOJOLYMLCUYNU-KBPBESRZSA-N 2 0 263.385 1.803 10 0 CDAERP C[N@@H+]1C[C@@H]2C[NH+](CCC[C@H]3CCOC3)C[C@]2(C)C1 ZINC000933733497 617599213 /nfs/dbraw/zinc/59/92/13/617599213.db2.gz KJCGFKXKONXAQX-ZNMIVQPWSA-N 2 0 252.402 1.687 10 0 CDAERP Cc1nnc(CC[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)s1 ZINC000925669976 617627694 /nfs/dbraw/zinc/62/76/94/617627694.db2.gz ZXQFALSLDRRBMB-WDEREUQCSA-N 2 0 268.430 1.885 10 0 CDAERP CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925770955 617635925 /nfs/dbraw/zinc/63/59/25/617635925.db2.gz XBKNVPBQCYKMCX-KKUMJFAQSA-N 2 0 296.436 1.632 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC000936028450 617652424 /nfs/dbraw/zinc/65/24/24/617652424.db2.gz UFLREHZMRYFXNN-CQSZACIVSA-N 2 0 299.459 1.334 10 0 CDAERP CC1(C)C[C@@H](N[C@H](C[NH3+])C2CCCC2)C[C@@H]([NH3+])C1 ZINC000925705128 617785476 /nfs/dbraw/zinc/78/54/76/617785476.db2.gz HUJUPEFQNGASPM-HZSPNIEDSA-N 2 0 253.434 2.000 10 0 CDAERP COC[C@H](CC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)OC ZINC000925714460 617824684 /nfs/dbraw/zinc/82/46/84/617824684.db2.gz RHHSANIGROUFMR-XHSDSOJGSA-N 2 0 284.444 1.796 10 0 CDAERP C[C@@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000925833385 617858737 /nfs/dbraw/zinc/85/87/37/617858737.db2.gz HIEXRLSWPBQICP-VWYCJHECSA-N 2 0 267.339 1.599 10 0 CDAERP C[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1ncc[nH]1 ZINC000925842793 617873990 /nfs/dbraw/zinc/87/39/90/617873990.db2.gz NOXYEMMQJHYXII-CYBMUJFWSA-N 2 0 265.405 1.136 10 0 CDAERP CO[C@@H](C)[C@@H](C)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925847480 617883171 /nfs/dbraw/zinc/88/31/71/617883171.db2.gz YAJHAEBSTMTKCZ-KGLIPLIRSA-N 2 0 257.422 1.075 10 0 CDAERP [NH3+][C@H]1C[C@@H]([NH2+]C[C@@H]2Cc3ccccc3CO2)C12CCC2 ZINC000925723674 617883854 /nfs/dbraw/zinc/88/38/54/617883854.db2.gz SZYIOFGUAZAOHK-HRCADAONSA-N 2 0 272.392 1.987 10 0 CDAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCCCCCCC[NH+](C)C ZINC000841740062 620760249 /nfs/dbraw/zinc/76/02/49/620760249.db2.gz LFVGOOWMVRRJJE-LSDHHAIUSA-N 2 0 298.475 1.796 10 0 CDAERP C[C@@H]1CN(CCC[NH2+]C2CC2)CCN1c1cc[nH+]cc1 ZINC000923424200 618328880 /nfs/dbraw/zinc/32/88/80/618328880.db2.gz OZSUBCLXMQNUED-CQSZACIVSA-N 2 0 274.412 1.734 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[N@@H+]1C ZINC000928441560 619085886 /nfs/dbraw/zinc/08/58/86/619085886.db2.gz SNGNLWPXJUKMEG-KGLIPLIRSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC[N@@H+]1C ZINC000928443876 619090847 /nfs/dbraw/zinc/09/08/47/619090847.db2.gz VSCHDJKAZNKWRL-YCPHGPKFSA-N 2 0 293.455 1.850 10 0 CDAERP COC(=O)[C@@H]1[C@@H](C[NH2+]CCCC[N@H+](C)C2CC2)C1(F)F ZINC000894965530 619164646 /nfs/dbraw/zinc/16/46/46/619164646.db2.gz GJCBVDXWQNLHFI-NEPJUHHUSA-N 2 0 290.354 1.505 10 0 CDAERP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cc(O)cc(F)c1 ZINC000925112474 619330481 /nfs/dbraw/zinc/33/04/81/619330481.db2.gz GHFIKEJNJQCKOT-LLVKDONJSA-N 2 0 282.359 1.639 10 0 CDAERP CC1=NO[C@H](C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000895302557 619535194 /nfs/dbraw/zinc/53/51/94/619535194.db2.gz SYYMCEMAPPXTJH-AWEZNQCLSA-N 2 0 271.324 1.522 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+]C2C[C@@H]3CCC[C@H]3C2)CC1 ZINC000902814842 625468204 /nfs/dbraw/zinc/46/82/04/625468204.db2.gz REPNYBARZVRCIQ-STQMWFEESA-N 2 0 252.402 1.611 10 0 CDAERP C[C@H]1[C@H](NC(=O)N(C)[C@@H]2CC[NH+](C)[C@H](C)C2)CC[N@@H+]1C ZINC000925322415 621533965 /nfs/dbraw/zinc/53/39/65/621533965.db2.gz FOCDMLWWLMMRLD-XJFOESAGSA-N 2 0 282.432 1.203 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000924651174 621635662 /nfs/dbraw/zinc/63/56/62/621635662.db2.gz WJMLXXLIKLJVCQ-ZNUWXHPXSA-N 2 0 263.429 1.401 10 0 CDAERP CC[NH+]1CCN([C@@H](C)C[NH2+]C2CC3(C2)CO[C@H](C)C3)CC1 ZINC000924671871 621649033 /nfs/dbraw/zinc/64/90/33/621649033.db2.gz QXHLKHKNHSBFOL-NJINODPHSA-N 2 0 295.471 1.560 10 0 CDAERP C[NH+](C)[C@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C12CCC2 ZINC000898832076 621891731 /nfs/dbraw/zinc/89/17/31/621891731.db2.gz VYAWJONSGONAMI-GJZGRUSLSA-N 2 0 298.390 1.937 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])N[C@@H](C)C1CC1 ZINC000899267877 622145054 /nfs/dbraw/zinc/14/50/54/622145054.db2.gz WZFULOJBUOSYRI-WCQYABFASA-N 2 0 252.406 1.773 10 0 CDAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[N@@H+]1CCCC[C@@H]1C ZINC000900198605 622787682 /nfs/dbraw/zinc/78/76/82/622787682.db2.gz HKFJSISQDWGRRL-UONOGXRCSA-N 2 0 279.428 1.461 10 0 CDAERP C[C@H]1CCC[C@@](CNC(=O)C23CC[NH+](CC2)C3)([NH+](C)C)C1 ZINC000900321712 622890889 /nfs/dbraw/zinc/89/08/89/622890889.db2.gz XSEVABPSDGLISN-WMLDXEAASA-N 2 0 293.455 1.709 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)C1CC1 ZINC000900367638 622930104 /nfs/dbraw/zinc/93/01/04/622930104.db2.gz SHPBQRUPOPIEEO-ZIAGYGMSSA-N 2 0 265.401 1.214 10 0 CDAERP C[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)C1CCCCC1 ZINC000900392260 622978113 /nfs/dbraw/zinc/97/81/13/622978113.db2.gz UKVUDDNHLFYIMH-UHFFFAOYSA-N 2 0 279.428 1.463 10 0 CDAERP O=C(N1CC[C@H]([NH+]2CCCCC2)C1)C12CC[NH+](CC1)C2 ZINC000900624391 623309381 /nfs/dbraw/zinc/30/93/81/623309381.db2.gz KBTXENRUJSKFLL-AWEZNQCLSA-N 2 0 277.412 1.169 10 0 CDAERP C[NH+](C)CCN(C(=O)C12CC[NH+](CC1)C2)C1CCCC1 ZINC000900684593 623371315 /nfs/dbraw/zinc/37/13/15/623371315.db2.gz DHZVBXJYPXAXJK-UHFFFAOYSA-N 2 0 279.428 1.415 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)/C=C(\C)CN1CCOCC1 ZINC000900927014 623681307 /nfs/dbraw/zinc/68/13/07/623681307.db2.gz VRTRXXYTUPLTAU-FYWRMAATSA-N 2 0 297.443 1.113 10 0 CDAERP C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1c1ccccc1 ZINC000901235277 624025684 /nfs/dbraw/zinc/02/56/84/624025684.db2.gz UQCSPQBBHBFINR-JKSUJKDBSA-N 2 0 299.418 1.644 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(CC(=O)N2CCCC2)CC1 ZINC000903430799 625990085 /nfs/dbraw/zinc/99/00/85/625990085.db2.gz BTJSYFHIPFDUDP-ZBFHGGJFSA-N 2 0 293.455 1.566 10 0 CDAERP [NH3+][C@@H]1CC[C@H](CN2CCCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000903453723 626001304 /nfs/dbraw/zinc/00/13/04/626001304.db2.gz JUAODMMTSFOMMV-XGUBFFRZSA-N 2 0 251.418 1.720 10 0 CDAERP CCCCOC(=O)CC[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903500033 626009199 /nfs/dbraw/zinc/00/91/99/626009199.db2.gz QYEOJZBJJNSHJK-CHWSQXEVSA-N 2 0 256.390 1.637 10 0 CDAERP Cc1ccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c(F)c1 ZINC000903494521 626011351 /nfs/dbraw/zinc/01/13/51/626011351.db2.gz IHBCTVUNRQUGFK-CHWSQXEVSA-N 2 0 293.386 1.989 10 0 CDAERP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000903784064 626092981 /nfs/dbraw/zinc/09/29/81/626092981.db2.gz KJMROTCRMOGYMW-RQJABVFESA-N 2 0 268.426 1.050 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CC[C@H](C(C)C)C2)cnn1C ZINC000903898923 626137469 /nfs/dbraw/zinc/13/74/69/626137469.db2.gz PNJUUFCGTHWOEU-GJZGRUSLSA-N 2 0 278.444 1.824 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCCSCC2)cnn1C ZINC000903903883 626140131 /nfs/dbraw/zinc/14/01/31/626140131.db2.gz YDTCCGSDUUYXGN-CYBMUJFWSA-N 2 0 282.457 1.285 10 0 CDAERP CC[C@]1(CO)CCC[N@@H+]1C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903909531 626143716 /nfs/dbraw/zinc/14/37/16/626143716.db2.gz VYNCBHFPYUQKKX-GDBMZVCRSA-N 2 0 294.443 1.083 10 0 CDAERP [NH3+]C[C@@H]1c2ccccc2CCN1C[C@@H]([NH3+])CC(F)F ZINC000903931579 626151772 /nfs/dbraw/zinc/15/17/72/626151772.db2.gz FQQUWNYWSJCYDQ-WCQYABFASA-N 2 0 269.339 1.527 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[NH2+]CC2CCC(F)CC2)cnn1C ZINC000903933109 626153100 /nfs/dbraw/zinc/15/31/00/626153100.db2.gz YOTKBLLQUWLPNF-BBBYJDLNSA-N 2 0 296.434 1.964 10 0 CDAERP COCC[N@H+](C[C@@H]([NH3+])CC(F)F)CC1CC[NH+](C)CC1 ZINC000903934457 626153596 /nfs/dbraw/zinc/15/35/96/626153596.db2.gz HUFFDGCXYXSWAY-ZDUSSCGKSA-N 2 0 293.402 1.259 10 0 CDAERP C[N@H+](CCCCCC[NH3+])Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903937155 626155392 /nfs/dbraw/zinc/15/53/92/626155392.db2.gz CLPMVZGYSULAQR-AWEZNQCLSA-N 3 0 294.447 1.154 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)cnn1C ZINC000903937873 626155884 /nfs/dbraw/zinc/15/58/84/626155884.db2.gz UADDNEIPMBFTPU-HRCADAONSA-N 2 0 288.439 1.744 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC[C@H]([NH3+])CC(F)F)cc1 ZINC000903917505 626157152 /nfs/dbraw/zinc/15/71/52/626157152.db2.gz MQKHXUAYAUFDCD-BXKDBHETSA-N 2 0 257.328 1.778 10 0 CDAERP C[C@H]1C[C@@H](CN2CCc3sc(C[NH3+])nc3C2)CC[NH2+]1 ZINC000903944126 626162492 /nfs/dbraw/zinc/16/24/92/626162492.db2.gz GMBWIARSFVXXIL-QWRGUYRKSA-N 2 0 280.441 1.348 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000903979073 626170496 /nfs/dbraw/zinc/17/04/96/626170496.db2.gz UVQJBFHAFFAEFT-LJIZCISZSA-N 3 0 265.445 1.742 10 0 CDAERP CCC[N@H+](CC)CCNC(=[NH2+])NC[C@@H]1CCCS1 ZINC000905041643 626380847 /nfs/dbraw/zinc/38/08/47/626380847.db2.gz JQHSBXBRGYYJKV-LBPRGKRZSA-N 2 0 272.462 1.728 10 0 CDAERP C[C@@H]1[NH2+]CC[C@@H]1c1nc(CC2CC[NH2+]CC2)no1 ZINC000905312939 626743757 /nfs/dbraw/zinc/74/37/57/626743757.db2.gz HBSHERJLVRVTHA-ONGXEEELSA-N 2 0 250.346 1.077 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@H]1CC[NH+](C)[C@@H]1C ZINC000905647319 626915565 /nfs/dbraw/zinc/91/55/65/626915565.db2.gz DACDPRRFGZPSKY-UPJWGTAASA-N 2 0 284.473 1.027 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CC[C@@H]([NH+]3CCC3)C2)CC[N@@H+]1C ZINC000912908677 630275485 /nfs/dbraw/zinc/27/54/85/630275485.db2.gz OWXYZUASCKMXRK-MELADBBJSA-N 2 0 265.401 1.023 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912902019 630293702 /nfs/dbraw/zinc/29/37/02/630293702.db2.gz IKAPGPIBJYVLPL-QWHCGFSZSA-N 2 0 265.401 1.166 10 0 CDAERP CC(C)[C@H](C(=O)N1CCC(C)([NH+](C)C)CC1)[NH+](C)C ZINC000913394665 630470588 /nfs/dbraw/zinc/47/05/88/630470588.db2.gz LQQOSTMLGAHIBB-CYBMUJFWSA-N 2 0 269.433 1.515 10 0 CDAERP CC[NH+](CC)C[C@H]1CCN(C[C@H]2CCC3(COC3)O2)C1 ZINC000929749060 630730534 /nfs/dbraw/zinc/73/05/34/630730534.db2.gz NPSQRLCFZZPSNT-HUUCEWRRSA-N 2 0 282.428 1.598 10 0 CDAERP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CCC3(COC3)O2)CCN1C ZINC000929781654 630947947 /nfs/dbraw/zinc/94/79/47/630947947.db2.gz JYDYKDPDIIFBFS-RDBSUJKOSA-N 2 0 268.401 1.349 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)CC[NH2+]CC1CCC1)[NH+](C)C ZINC001691353660 1159032850 /nfs/dbraw/zinc/03/28/50/1159032850.db2.gz DCXYECUPCPTKCL-AWEZNQCLSA-N 2 0 269.433 1.421 10 0 CDAERP CC[C@H](C(=O)N(C)CC[NH2+]Cc1ccc(C)cc1)[NH+](C)C ZINC001691359915 1159034366 /nfs/dbraw/zinc/03/43/66/1159034366.db2.gz IGDQGENSYHAWFL-MRXNPFEDSA-N 2 0 291.439 1.883 10 0 CDAERP CC(C)COCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001268740457 1160011918 /nfs/dbraw/zinc/01/19/18/1160011918.db2.gz KLZMIUFPSDEOTG-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@@H]2CC[NH2+]CCCF)C1 ZINC001732520579 1160664790 /nfs/dbraw/zinc/66/47/90/1160664790.db2.gz TWJOPITZQPPNFF-HUUCEWRRSA-N 2 0 299.434 1.659 10 0 CDAERP Cc1nccn1CC(=O)N1CC[N@H+](C2CCCC2)[C@@H](C)C1 ZINC001649344038 1161380338 /nfs/dbraw/zinc/38/03/38/1161380338.db2.gz LRZZWGQLHUNVHH-ZDUSSCGKSA-N 2 0 290.411 1.667 10 0 CDAERP CC(C)[C@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3CC3)C[C@H]21)[NH+](C)C ZINC001410114132 1161581185 /nfs/dbraw/zinc/58/11/85/1161581185.db2.gz ODANOTPYBGXJPT-LVQVYYBASA-N 2 0 293.455 1.277 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)NCC[C@@H](C)[NH+](C)C)C1 ZINC001632580813 1166359762 /nfs/dbraw/zinc/35/97/62/1166359762.db2.gz IMCFAZUQUZGTEO-ZIAGYGMSSA-N 2 0 269.433 1.563 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCN1CC ZINC001634912614 1166546525 /nfs/dbraw/zinc/54/65/25/1166546525.db2.gz WUEUZXGQBBRRSQ-QWHCGFSZSA-N 2 0 253.390 1.071 10 0 CDAERP [NH3+][C@H]1CCCC[C@H]1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC001645892451 1167556039 /nfs/dbraw/zinc/55/60/39/1167556039.db2.gz DSERQJJLUMGPGR-CABCVRRESA-N 2 0 279.428 1.495 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC)C1 ZINC001565915016 1168201654 /nfs/dbraw/zinc/20/16/54/1168201654.db2.gz CSXURZNUXPBMTL-QWHCGFSZSA-N 2 0 255.406 1.223 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCCF ZINC001567016708 1168511096 /nfs/dbraw/zinc/51/10/96/1168511096.db2.gz LJTHJOKDUCXWOX-OLZOCXBDSA-N 2 0 273.396 1.313 10 0 CDAERP C[C@@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CCCF ZINC001567230336 1168631598 /nfs/dbraw/zinc/63/15/98/1168631598.db2.gz FQIMOJMNXUPWAK-STQMWFEESA-N 2 0 273.396 1.172 10 0 CDAERP O=C(NC/C=C\C[NH2+]CCC1CC1)C12CCC[NH+]1CCC2 ZINC001568880085 1169531933 /nfs/dbraw/zinc/53/19/33/1169531933.db2.gz UMOVZHJHXVQBEE-UPHRSURJSA-N 2 0 291.439 1.677 10 0 CDAERP CC/C=C/CC[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001569267345 1169741839 /nfs/dbraw/zinc/74/18/39/1169741839.db2.gz RYFMJNKYDUMJNF-LLYBFZRZSA-N 2 0 281.444 1.733 10 0 CDAERP CC/C=C/CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001571191468 1170344024 /nfs/dbraw/zinc/34/40/24/1170344024.db2.gz DDNZNESHDMXZKR-GHNZZDGLSA-N 2 0 293.455 1.779 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH2+]CC=C(C)C ZINC001662395167 1172541618 /nfs/dbraw/zinc/54/16/18/1172541618.db2.gz RYFKFLGZBICMHM-ZDUSSCGKSA-N 2 0 255.406 1.389 10 0 CDAERP Cc1nc[nH]c1CC(=O)N[C@@H](C)C[NH2+]CCC(C)C ZINC001669724824 1173590877 /nfs/dbraw/zinc/59/08/77/1173590877.db2.gz WFOXPACWBOOGFJ-NSHDSACASA-N 2 0 266.389 1.401 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001674142329 1173916855 /nfs/dbraw/zinc/91/68/55/1173916855.db2.gz QSJQZDUVUXLWHI-KGLIPLIRSA-N 2 0 269.433 1.563 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC001595810797 1174216770 /nfs/dbraw/zinc/21/67/70/1174216770.db2.gz UMHNTEZRFQPPQD-UONOGXRCSA-N 2 0 269.433 1.422 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001676970882 1174302284 /nfs/dbraw/zinc/30/22/84/1174302284.db2.gz RSUKICWTFFBXRR-ZIAGYGMSSA-N 2 0 269.433 1.613 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001690354926 1175447005 /nfs/dbraw/zinc/44/70/05/1175447005.db2.gz GVSPMGOJEBQLSN-ZQDZILKHSA-N 2 0 281.444 1.754 10 0 CDAERP CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@H+](C)C(C)C ZINC001691860552 1175638544 /nfs/dbraw/zinc/63/85/44/1175638544.db2.gz WTOUIRWAEVIQJP-KGLIPLIRSA-N 2 0 269.433 1.563 10 0 CDAERP CCOCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001699127412 1176105460 /nfs/dbraw/zinc/10/54/60/1176105460.db2.gz CXMDKFLPRROGAL-KKUMJFAQSA-N 2 0 299.459 1.238 10 0 CDAERP CC[NH2+]CC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001699140582 1176108994 /nfs/dbraw/zinc/10/89/94/1176108994.db2.gz LUCGZPHBSPVVDM-KGLIPLIRSA-N 2 0 269.433 1.755 10 0 CDAERP CCCC[NH2+]CC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001699145945 1176111734 /nfs/dbraw/zinc/11/17/34/1176111734.db2.gz GBMXJCUOOMOTBU-KBPBESRZSA-N 2 0 269.433 1.613 10 0 CDAERP C[C@@H](CC[NH2+]CC1CCCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001699145855 1176112221 /nfs/dbraw/zinc/11/22/21/1176112221.db2.gz DUEBRYDHQFPYPW-AWEZNQCLSA-N 2 0 293.455 1.757 10 0 CDAERP C[C@H](F)CC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001699262833 1176184964 /nfs/dbraw/zinc/18/49/64/1176184964.db2.gz VNUXKOIJZCHIRJ-DACWGTRXSA-N 2 0 285.407 1.337 10 0 CDAERP CN(CCC[NH2+]Cc1ccsc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001699550010 1176470807 /nfs/dbraw/zinc/47/08/07/1176470807.db2.gz BPCNDFIFOORQDW-CQSZACIVSA-N 2 0 295.452 1.638 10 0 CDAERP C[N@H+](CC(=O)N[C@@H](C[NH2+]C/C=C/Cl)C1CC1)C1CCC1 ZINC001699580241 1176482596 /nfs/dbraw/zinc/48/25/96/1176482596.db2.gz VINIPGTZNAYTQH-VSZOKUSCSA-N 2 0 299.846 1.708 10 0 CDAERP CCCCC[N@@H+]1CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001699623778 1176520517 /nfs/dbraw/zinc/52/05/17/1176520517.db2.gz KLFMOIMIEVBHKS-HNNXBMFYSA-N 2 0 281.444 1.851 10 0 CDAERP CCCCC[NH+]1CC(N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001699715705 1176583710 /nfs/dbraw/zinc/58/37/10/1176583710.db2.gz ZQRMBQCIOSQMMU-INIZCTEOSA-N 2 0 293.455 1.661 10 0 CDAERP CC[NH2+]CC[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001700076670 1176735139 /nfs/dbraw/zinc/73/51/39/1176735139.db2.gz FICXZYIQPMUFKF-CQSZACIVSA-N 2 0 283.460 1.812 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCOCC)[C@H](C)C1 ZINC001700320538 1176849844 /nfs/dbraw/zinc/84/98/44/1176849844.db2.gz OWFOQTUKCLBLNH-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP C[C@@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1CC1CC1 ZINC001700882223 1177178031 /nfs/dbraw/zinc/17/80/31/1177178031.db2.gz MBIZHCMYQVPLQX-TZMCWYRMSA-N 2 0 267.417 1.317 10 0 CDAERP C[NH+]1CCC(NC(=O)c2ccc(C[NH+]3CCCC3)o2)CC1 ZINC000141111204 1177638414 /nfs/dbraw/zinc/63/84/14/1177638414.db2.gz KSZVYGASIMJEQD-UHFFFAOYSA-N 2 0 291.395 1.699 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCC)[C@@H]1C ZINC001707263921 1177987314 /nfs/dbraw/zinc/98/73/14/1177987314.db2.gz OMRGWPWAEPCOGN-KGLIPLIRSA-N 2 0 269.433 1.707 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]CC3CC3)C2)CCC1 ZINC001713193683 1178423576 /nfs/dbraw/zinc/42/35/76/1178423576.db2.gz FRDQWELZPYCTDQ-BETUJISGSA-N 2 0 265.401 1.118 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001713352916 1178515489 /nfs/dbraw/zinc/51/54/89/1178515489.db2.gz HZYUPYYTJOMVAR-KGLIPLIRSA-N 2 0 269.433 1.422 10 0 CDAERP CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001713363217 1178521550 /nfs/dbraw/zinc/52/15/50/1178521550.db2.gz OZIKISDJURXEFV-CGFBPQRUSA-N 2 0 293.455 1.733 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC1CC(C)C1 ZINC001713590959 1178672646 /nfs/dbraw/zinc/67/26/46/1178672646.db2.gz WIPGZYFBEXVCQY-GPANFISMSA-N 2 0 295.471 1.953 10 0 CDAERP CN(CC[NH2+]CC1=CCCCC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001713654601 1178698416 /nfs/dbraw/zinc/69/84/16/1178698416.db2.gz HRLWFQJPWKRVPV-MRXNPFEDSA-N 2 0 293.455 1.877 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC=C(C)C)C1 ZINC001714016259 1178928443 /nfs/dbraw/zinc/92/84/43/1178928443.db2.gz HHJWBGPOBIWXPJ-OKILXGFUSA-N 2 0 267.417 1.531 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[C@H]([NH2+]CCCF)C1 ZINC001714416565 1179130398 /nfs/dbraw/zinc/13/03/98/1179130398.db2.gz AWEAKEBFEOGMEJ-KBPBESRZSA-N 2 0 287.423 1.703 10 0 CDAERP CC(C)[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001714454845 1179145903 /nfs/dbraw/zinc/14/59/03/1179145903.db2.gz SHOFKKXQBZDUCF-CQSZACIVSA-N 2 0 269.433 1.658 10 0 CDAERP COCC[NH2+][C@@H](C)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001714469350 1179157066 /nfs/dbraw/zinc/15/70/66/1179157066.db2.gz LKQZKHFJGCDURI-AWEZNQCLSA-N 2 0 299.459 1.382 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001714498915 1179172500 /nfs/dbraw/zinc/17/25/00/1179172500.db2.gz GZFMIMPDPMBXRT-KGLIPLIRSA-N 2 0 267.417 1.389 10 0 CDAERP C[C@@H](F)CC[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001714724680 1179359235 /nfs/dbraw/zinc/35/92/35/1179359235.db2.gz RZQIPJXLTLJXGU-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP C[C@@H](Cc1c[nH]cn1)C(=O)N(C)CC[NH2+]CC1CC1 ZINC001714767098 1179386378 /nfs/dbraw/zinc/38/63/78/1179386378.db2.gz IITOPFNBPFUYNA-NSHDSACASA-N 2 0 264.373 1.046 10 0 CDAERP CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001715068850 1179538251 /nfs/dbraw/zinc/53/82/51/1179538251.db2.gz SHWLHWFQGYKWFE-UONOGXRCSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001715468553 1179675703 /nfs/dbraw/zinc/67/57/03/1179675703.db2.gz VIZRSWRUVQJIGX-UONOGXRCSA-N 2 0 269.433 1.563 10 0 CDAERP CCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001715664034 1179756838 /nfs/dbraw/zinc/75/68/38/1179756838.db2.gz VRUAJNYOHIEQBH-CHWSQXEVSA-N 2 0 255.406 1.365 10 0 CDAERP CCC[NH2+]C/C=C\CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001715893810 1179901146 /nfs/dbraw/zinc/90/11/46/1179901146.db2.gz JBEAHUFMGGOSJI-ZFDPJTLLSA-N 2 0 253.390 1.000 10 0 CDAERP CCC[NH2+]CCN(CC)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001716224755 1180110479 /nfs/dbraw/zinc/11/04/79/1180110479.db2.gz VOVBSYQMAFDTQP-UHFFFAOYSA-N 2 0 299.459 1.193 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001716394853 1180183645 /nfs/dbraw/zinc/18/36/45/1180183645.db2.gz GLMHZGNMROHRPA-UKRRQHHQSA-N 2 0 279.428 1.389 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC(C)C ZINC001716439356 1180210711 /nfs/dbraw/zinc/21/07/11/1180210711.db2.gz LGVIFTDAHIGDTI-UONOGXRCSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001716442895 1180213048 /nfs/dbraw/zinc/21/30/48/1180213048.db2.gz ISCOPJGLKWBJBP-UONOGXRCSA-N 2 0 267.417 1.531 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@@H+]1CC1=CCCCC1 ZINC001716671661 1180356522 /nfs/dbraw/zinc/35/65/22/1180356522.db2.gz OPHBDEFTDVKZRF-INIZCTEOSA-N 2 0 291.439 1.773 10 0 CDAERP CC[NH2+]C1(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001716701095 1180376976 /nfs/dbraw/zinc/37/69/76/1180376976.db2.gz WTWONBBNVKFVEK-VXGBXAGGSA-N 2 0 253.390 1.118 10 0 CDAERP CC(C)=CC[NH2+]C1(CNC(=O)CCC[NH+](C)C)CCC1 ZINC001717156603 1180552671 /nfs/dbraw/zinc/55/26/71/1180552671.db2.gz DMDOQOZXNSETTN-UHFFFAOYSA-N 2 0 281.444 1.923 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)CC1CCC1 ZINC001717498943 1180713038 /nfs/dbraw/zinc/71/30/38/1180713038.db2.gz UHDUEJFQLOICIC-OCCSQVGLSA-N 2 0 267.417 1.175 10 0 CDAERP CCC[NH2+]CCC[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001717695789 1180793214 /nfs/dbraw/zinc/79/32/14/1180793214.db2.gz MUFKSKGFSBZKFK-CYBMUJFWSA-N 2 0 255.406 1.367 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+]CC=C(C)C ZINC001717748697 1180826432 /nfs/dbraw/zinc/82/64/32/1180826432.db2.gz NNNNEWDWSJNJRS-AWEZNQCLSA-N 2 0 269.433 1.731 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000165866850 1181041469 /nfs/dbraw/zinc/04/14/69/1181041469.db2.gz AZXAMKMNIYLCOF-LSDHHAIUSA-N 2 0 281.444 1.742 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]C(C)C ZINC001723037719 1181511929 /nfs/dbraw/zinc/51/19/29/1181511929.db2.gz XIPKUJFNLJBLPN-AWEZNQCLSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+]C/C=C/Cl)C1CC1 ZINC001723354570 1181543490 /nfs/dbraw/zinc/54/34/90/1181543490.db2.gz GYFIIYXWKMFASE-WXJAXGNASA-N 2 0 287.835 1.564 10 0 CDAERP CC[C@H](C(=O)NC[C@H]1CC[N@@H+]1C(C)C)[NH+](CC)CC ZINC001723458649 1181566700 /nfs/dbraw/zinc/56/67/00/1181566700.db2.gz SNNUXBAFKRTUIA-ZIAGYGMSSA-N 2 0 269.433 1.706 10 0 CDAERP CC[C@H](C(=O)N[C@@]1(C)CC[N@H+](CC)C1)[NH+](CC)CC ZINC001724175821 1181647321 /nfs/dbraw/zinc/64/73/21/1181647321.db2.gz ZQLZLPDSLUZDMF-HIFRSBDPSA-N 2 0 269.433 1.707 10 0 CDAERP CC[NH2+]C1(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CCC1 ZINC001724799106 1181757005 /nfs/dbraw/zinc/75/70/05/1181757005.db2.gz CSLPGOHHIIELKF-CHWSQXEVSA-N 2 0 267.417 1.508 10 0 CDAERP CC[N@H+](C)[C@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001725174265 1181905556 /nfs/dbraw/zinc/90/55/56/1181905556.db2.gz SVSNCKDWLDVQHP-OLZOCXBDSA-N 2 0 255.406 1.317 10 0 CDAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1C[C@H](C[NH2+]CCF)C1 ZINC001725373171 1181979022 /nfs/dbraw/zinc/97/90/22/1181979022.db2.gz SQYVDKQAGAGQOP-XUXIUFHCSA-N 2 0 285.407 1.313 10 0 CDAERP CCC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001725420600 1181993427 /nfs/dbraw/zinc/99/34/27/1181993427.db2.gz XGSCHLHBQQIDQS-OLZOCXBDSA-N 2 0 255.406 1.223 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCC[N@H+](C)CCF)C1 ZINC001731278094 1182290703 /nfs/dbraw/zinc/29/07/03/1182290703.db2.gz OOQGEXYVCSJVDH-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP CC[N@H+](CCCNC(=O)COC1CC[NH+](C)CC1)C(C)C ZINC001731320753 1182318179 /nfs/dbraw/zinc/31/81/79/1182318179.db2.gz MRVPNBPISJGDBM-UHFFFAOYSA-N 2 0 299.459 1.334 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C1CC1 ZINC001731338922 1182327513 /nfs/dbraw/zinc/32/75/13/1182327513.db2.gz LHZFTLCAWDUJTK-KBPBESRZSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)=CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001731410934 1182370503 /nfs/dbraw/zinc/37/05/03/1182370503.db2.gz KYLZFSAHJMMJHW-HUUCEWRRSA-N 2 0 279.428 1.389 10 0 CDAERP O=C(CC[NH+]1CCCCC1)N1CCC[C@H](C[NH2+]CCF)C1 ZINC001731530123 1182437064 /nfs/dbraw/zinc/43/70/64/1182437064.db2.gz JPGBSMZRNDIZOW-OAHLLOKOSA-N 2 0 299.434 1.660 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001731758391 1182549533 /nfs/dbraw/zinc/54/95/33/1182549533.db2.gz KFOWZFJZGNQMNI-HNNXBMFYSA-N 2 0 293.455 1.853 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)C[NH+]1CCCC1 ZINC001731761019 1182552946 /nfs/dbraw/zinc/55/29/46/1182552946.db2.gz ONMURCWQPCEBEM-HNNXBMFYSA-N 2 0 281.444 1.853 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001731791435 1182581837 /nfs/dbraw/zinc/58/18/37/1182581837.db2.gz CRHDMPDUOXVOQB-ZIAGYGMSSA-N 2 0 269.433 1.422 10 0 CDAERP CC[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)CC(C)C ZINC001731814229 1182602110 /nfs/dbraw/zinc/60/21/10/1182602110.db2.gz RGYDZZXCEISWBJ-AWEZNQCLSA-N 2 0 269.433 1.422 10 0 CDAERP CCCC[NH2+]CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001731950438 1182693911 /nfs/dbraw/zinc/69/39/11/1182693911.db2.gz WZWCSIKUFDGWKT-UHFFFAOYSA-N 2 0 255.406 1.176 10 0 CDAERP C[C@H](C[NH2+]C/C=C/Cl)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001732434858 1182963465 /nfs/dbraw/zinc/96/34/65/1182963465.db2.gz AWNJZRDZWVVNQS-FZKGZDJFSA-N 2 0 287.835 1.517 10 0 CDAERP COCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001732524590 1182996453 /nfs/dbraw/zinc/99/64/53/1182996453.db2.gz NSOWWXGUGVUPES-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP CCN(CC[NH2+]CC=C(C)C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001732798136 1183129146 /nfs/dbraw/zinc/12/91/46/1183129146.db2.gz RBMNEHUSYPJEEY-OAHLLOKOSA-N 2 0 281.444 1.733 10 0 CDAERP O=C(NC/C=C/C[NH2+]CCC1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001732851909 1183157385 /nfs/dbraw/zinc/15/73/85/1183157385.db2.gz XQCOCVOCZGVLAG-PYKQWIPUSA-N 2 0 291.439 1.390 10 0 CDAERP CCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001733039325 1183256765 /nfs/dbraw/zinc/25/67/65/1183256765.db2.gz REPMBCUMEUKUDH-JSGCOSHPSA-N 2 0 267.417 1.175 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CCF ZINC001733078609 1183278968 /nfs/dbraw/zinc/27/89/68/1183278968.db2.gz NVUURJHPRCHDRV-ZIAGYGMSSA-N 2 0 287.423 1.562 10 0 CDAERP O=C(N1CC[C@@H](CC[NH2+]CC2CC2)C1)C12CC[NH+](CC1)C2 ZINC001733672332 1183493991 /nfs/dbraw/zinc/49/39/91/1183493991.db2.gz LXJLUHZGMBSXAN-OAHLLOKOSA-N 2 0 291.439 1.320 10 0 CDAERP CCCC[NH2+]CC1(NC(=O)[C@@H]2CCC[N@@H+]2C)CCOCC1 ZINC001733826536 1183540681 /nfs/dbraw/zinc/54/06/81/1183540681.db2.gz CLJMVRNWYCNLGD-AWEZNQCLSA-N 2 0 297.443 1.136 10 0 CDAERP C[C@@H](F)CC[NH2+]CC1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001733957663 1183584343 /nfs/dbraw/zinc/58/43/43/1183584343.db2.gz FOJSHTIFLSZZIJ-IYXRBSQSSA-N 2 0 285.407 1.315 10 0 CDAERP C[C@@H](CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CCCF ZINC001734341899 1183739200 /nfs/dbraw/zinc/73/92/00/1183739200.db2.gz AFRXXPJDSXTVOI-OLZOCXBDSA-N 2 0 273.396 1.124 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001734345029 1183741042 /nfs/dbraw/zinc/74/10/42/1183741042.db2.gz RVASIWUNHOBAEE-KGLIPLIRSA-N 2 0 269.433 1.421 10 0 CDAERP C[NH+](C)CCCNC(=O)[C@@H]1[NH2+]CC[C@@H]2CCCC[C@H]12 ZINC000312074979 1186695003 /nfs/dbraw/zinc/69/50/03/1186695003.db2.gz PQENCAGIKFFEGQ-MELADBBJSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@H]1C[C@H]1NC(=[NH2+])NCc1ccnc(OCC[NH+](C)C)c1 ZINC000864463257 1164547697 /nfs/dbraw/zinc/54/76/97/1164547697.db2.gz UBFNVAMRIYGRRO-WCQYABFASA-N 2 0 291.399 1.044 10 0 CDAERP CNC(=O)NC[C@@H]1CCCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000866685238 1164808327 /nfs/dbraw/zinc/80/83/27/1164808327.db2.gz GDFCBNFGBLZDKS-KGLIPLIRSA-N 2 0 282.432 1.160 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)c2ccc(C[NH3+])cc2)C1 ZINC000870993719 1165249287 /nfs/dbraw/zinc/24/92/87/1165249287.db2.gz KZPWSZCPDRGKBO-QGZVFWFLSA-N 2 0 289.423 1.982 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)CCCCC[NH3+])C1 ZINC000870994939 1165251297 /nfs/dbraw/zinc/25/12/97/1165251297.db2.gz YYKZNWYULICCRG-HNNXBMFYSA-N 2 0 269.433 1.729 10 0 CDAERP C[NH2+]C[C@](C)(O)CN1CCC(C)([NH+]2CCCCC2)CC1 ZINC000872146441 1165386496 /nfs/dbraw/zinc/38/64/96/1165386496.db2.gz NQGBLHSRZLPMBU-INIZCTEOSA-N 2 0 283.460 1.297 10 0 CDAERP COC(=O)CC[C@H]1CCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000872153664 1165386759 /nfs/dbraw/zinc/38/67/59/1165386759.db2.gz GFFNGPTZUSUBTB-ZIAGYGMSSA-N 2 0 296.411 1.173 10 0 CDAERP CC[C@H](C[NH+]1CCCC1)NC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870887542 796464755 /nfs/dbraw/zinc/46/47/55/796464755.db2.gz CYTQYYAKRIUJBK-NPCAHTBFSA-N 2 0 279.428 1.509 10 0 CDAERP CN1C[C@H](CC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)CC1=O ZINC000723539886 796515927 /nfs/dbraw/zinc/51/59/27/796515927.db2.gz OBUXPIIEPRKRLC-BYCMXARLSA-N 2 0 273.380 1.589 10 0 CDAERP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)CC1 ZINC000872142860 796530611 /nfs/dbraw/zinc/53/06/11/796530611.db2.gz HDFPHORFTXAQRC-ALYAQQCSSA-N 2 0 294.439 1.772 10 0 CDAERP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923500537 796534581 /nfs/dbraw/zinc/53/45/81/796534581.db2.gz PLKBOGLICXAOCY-UTUOFQBUSA-N 2 0 255.406 1.206 10 0 CDAERP CCO[C@H](C[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)C1CC1 ZINC000872150671 796545002 /nfs/dbraw/zinc/54/50/02/796545002.db2.gz ZAHQQYIVSFFSIG-SDDRHHMPSA-N 2 0 280.334 1.871 10 0 CDAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CCCCCF)CC2 ZINC000923449767 796614204 /nfs/dbraw/zinc/61/42/04/796614204.db2.gz BYNLMTURTWZASY-CYBMUJFWSA-N 2 0 258.381 1.956 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)C(C)(C)n1cncn1 ZINC000925879536 796645750 /nfs/dbraw/zinc/64/57/50/796645750.db2.gz HHTHOBMYBBWHOG-TUAOUCFPSA-N 2 0 251.378 1.119 10 0 CDAERP CON1CC[C@@H]([NH+]2CCC(CCC[NH+](C)C)CC2)C1=O ZINC000930145525 796685169 /nfs/dbraw/zinc/68/51/69/796685169.db2.gz JNCJREGFBAJPGC-CQSZACIVSA-N 2 0 283.416 1.203 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCCn1ccnc1 ZINC000924730183 796696664 /nfs/dbraw/zinc/69/66/64/796696664.db2.gz COLFQFFHOHPPTJ-YIONKMFJSA-N 2 0 262.401 1.593 10 0 CDAERP c1cc(C[NH2+]CCO[C@@H]2CCOC2)n(-c2cc[nH+]cc2)n1 ZINC000922936582 796704021 /nfs/dbraw/zinc/70/40/21/796704021.db2.gz KJNJUWWBBZFKDM-OAHLLOKOSA-N 2 0 288.351 1.162 10 0 CDAERP CC(C)CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923496359 796791775 /nfs/dbraw/zinc/79/17/75/796791775.db2.gz BLPWTWNYKHCTQD-MELADBBJSA-N 2 0 269.433 1.454 10 0 CDAERP C[C@H]1CN(CCS(=O)(=O)c2ccccc2)CC[C@H]1C[NH3+] ZINC000923496848 796842324 /nfs/dbraw/zinc/84/23/24/796842324.db2.gz JVLDXGFYSNTFNI-KBPBESRZSA-N 2 0 296.436 1.377 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC[C@@H]1CCOC1 ZINC000849018276 796874129 /nfs/dbraw/zinc/87/41/29/796874129.db2.gz YPPPMMVCCWJEIC-CHWSQXEVSA-N 2 0 268.405 1.011 10 0 CDAERP CCSCC[C@@H](C)[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923315228 796938113 /nfs/dbraw/zinc/93/81/13/796938113.db2.gz SDNORWSCZUGFMR-OLZOCXBDSA-N 2 0 272.458 1.828 10 0 CDAERP c1ccc(SCCN2CC[NH2+]CC[NH2+]CC2)cc1 ZINC000923461488 796960299 /nfs/dbraw/zinc/96/02/99/796960299.db2.gz PMVOFPZRFAZYGW-UHFFFAOYSA-N 2 0 265.426 1.274 10 0 CDAERP CC[C@H]1CCN(C(=[NH2+])NCC2=CC[N@H+](C)CC2)C1 ZINC000864462535 797000976 /nfs/dbraw/zinc/00/09/76/797000976.db2.gz MQIISTYMIXOSMO-LBPRGKRZSA-N 2 0 250.390 1.505 10 0 CDAERP COC(CC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)OC ZINC000851779311 797051075 /nfs/dbraw/zinc/05/10/75/797051075.db2.gz RBBZNDBADVUUJO-AWEZNQCLSA-N 2 0 270.417 1.946 10 0 CDAERP CC(C)[NH+]1CCC([N@H+](C)C[C@@H]2CCC3(COC3)O2)CC1 ZINC000929469982 797081845 /nfs/dbraw/zinc/08/18/45/797081845.db2.gz JDTKXOGJQFMJKV-HNNXBMFYSA-N 2 0 282.428 1.739 10 0 CDAERP CC(=O)N1CCC([NH2+]C2CCC(C)([NH+](C)C)CC2)CC1 ZINC000715572741 797090055 /nfs/dbraw/zinc/09/00/55/797090055.db2.gz NBFVWXXHNDGXAH-UHFFFAOYSA-N 2 0 281.444 1.850 10 0 CDAERP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C=C2CC[NH2+]CC2)C1 ZINC000852869260 797132109 /nfs/dbraw/zinc/13/21/09/797132109.db2.gz AITMMIXMJLRRQX-INIZCTEOSA-N 2 0 291.439 1.487 10 0 CDAERP CC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)OCCCO1 ZINC000843341034 797150961 /nfs/dbraw/zinc/15/09/61/797150961.db2.gz YCXMXQMURKDAHB-JHJVBQTASA-N 2 0 254.374 1.117 10 0 CDAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000926200611 797243807 /nfs/dbraw/zinc/24/38/07/797243807.db2.gz IFYGZNMDWYPUPB-NUWOQIAWSA-N 2 0 295.471 1.560 10 0 CDAERP [NH3+]CCCCCCC[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872150225 797310640 /nfs/dbraw/zinc/31/06/40/797310640.db2.gz DVLRSBYOCJEDBU-VXGBXAGGSA-N 3 0 281.366 1.965 10 0 CDAERP C[C@H]([NH2+]CCC[C@@H]1CCOC1=O)C1CC[NH+](C)CC1 ZINC000872118185 797331057 /nfs/dbraw/zinc/33/10/57/797331057.db2.gz VHFCRKUDCMEXPG-GXTWGEPZSA-N 2 0 268.401 1.650 10 0 CDAERP COC(=O)[C@H]1C[N@H+](CCCn2ccnc2)C[C@@H]1C ZINC000095019645 797332974 /nfs/dbraw/zinc/33/29/74/797332974.db2.gz SZJPYFLMNDLXRZ-RYUDHWBXSA-N 2 0 251.330 1.014 10 0 CDAERP C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)CC1 ZINC000878757443 797382214 /nfs/dbraw/zinc/38/22/14/797382214.db2.gz LXRDURCDCBRAMF-ZFWWWQNUSA-N 2 0 279.428 1.461 10 0 CDAERP COC(=O)N(C)CC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925716927 797384241 /nfs/dbraw/zinc/38/42/41/797384241.db2.gz SSSCXSMJGJOWDF-WDEREUQCSA-N 2 0 257.378 1.180 10 0 CDAERP CC1(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CCC1 ZINC000261946238 797386581 /nfs/dbraw/zinc/38/65/81/797386581.db2.gz NJPVQGZYZQVTID-AWEZNQCLSA-N 2 0 279.428 1.320 10 0 CDAERP CC(C)[C@H](CNC(=[NH2+])N[C@@H]1C[C@H]1C)[NH+]1CCCC1 ZINC000864450337 797394494 /nfs/dbraw/zinc/39/44/94/797394494.db2.gz KWJOPLPBMSLRPZ-UPJWGTAASA-N 2 0 252.406 1.629 10 0 CDAERP C[N@@H+]1CCN(C(=O)CCC(C)(C)[NH3+])CCC1(C)C ZINC000712669366 797628268 /nfs/dbraw/zinc/62/82/68/797628268.db2.gz BMCHCGHMLIIHSI-UHFFFAOYSA-N 2 0 255.406 1.447 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000846179214 797838747 /nfs/dbraw/zinc/83/87/47/797838747.db2.gz MYKLFYHBBAZNBF-AWEZNQCLSA-N 2 0 284.448 1.345 10 0 CDAERP Cc1ccc(F)cc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000923464088 797839964 /nfs/dbraw/zinc/83/99/64/797839964.db2.gz ZBZIQBVNIDYJJZ-UHFFFAOYSA-N 2 0 251.349 1.129 10 0 CDAERP CO[C@H]1C[C@@H](C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)C1 ZINC000872143150 797865989 /nfs/dbraw/zinc/86/59/89/797865989.db2.gz MUDXKTWFFCSHQT-BYNSBNAKSA-N 2 0 252.402 1.875 10 0 CDAERP C[C@]1(C[N@@H+]2CC[C@H](c3nccs3)C2)CC[NH2+]C1 ZINC000710604626 797871790 /nfs/dbraw/zinc/87/17/90/797871790.db2.gz OYWCIFMDYVDLGX-AAEUAGOBSA-N 2 0 251.399 1.932 10 0 CDAERP [NH3+][C@H]1C[C@H]([NH2+]CCCNc2ccccn2)C12CCC2 ZINC000925539015 797880093 /nfs/dbraw/zinc/88/00/93/797880093.db2.gz XTEGSFFWTGKEOU-STQMWFEESA-N 2 0 260.385 1.743 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)N1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000868218297 797894988 /nfs/dbraw/zinc/89/49/88/797894988.db2.gz CZZCMBJWEKCWAX-KGLIPLIRSA-N 2 0 282.432 1.062 10 0 CDAERP C[C@@H]1CC2(CC([NH2+]C[C@H]3C[C@@H]([NH+](C)C)C3)C2)CO1 ZINC000926665503 797898643 /nfs/dbraw/zinc/89/86/43/797898643.db2.gz GCCCRYPYAGBNKV-HIKVSJJOSA-N 2 0 252.402 1.874 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1C[NH2+]CC1(C)C)C1CCCC1 ZINC000711274905 797969617 /nfs/dbraw/zinc/96/96/17/797969617.db2.gz NLYBGPAVLOGSLU-ZDUSSCGKSA-N 2 0 267.417 1.223 10 0 CDAERP CO[C@H]1C[C@H](C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])C1 ZINC000925734941 798020332 /nfs/dbraw/zinc/02/03/32/798020332.db2.gz DEJWDKAJXPHUFB-MIGQKNRLSA-N 2 0 262.397 1.960 10 0 CDAERP CN(C[C@H]1CC[C@H](C(F)(F)F)O1)C1(C[NH3+])CCC1 ZINC000721460103 798037507 /nfs/dbraw/zinc/03/75/07/798037507.db2.gz RAIZOPCUPDWLFY-NXEZZACHSA-N 2 0 266.307 1.910 10 0 CDAERP C[N@@H+]1CCC[C@H]1CN[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925716681 798038962 /nfs/dbraw/zinc/03/89/62/798038962.db2.gz BQWMVZHTVXHEBC-JYJNAYRXSA-N 2 0 265.445 1.839 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)C1CC1 ZINC000925858714 798062546 /nfs/dbraw/zinc/06/25/46/798062546.db2.gz VZFPVHBTYGNTGC-JQWIXIFHSA-N 2 0 252.358 1.060 10 0 CDAERP Cc1nn(CCO)c(C)c1CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001645874039 1167546667 /nfs/dbraw/zinc/54/66/67/1167546667.db2.gz SREORKPXRAUFHN-INIZCTEOSA-N 2 0 292.427 1.068 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001569534037 1167562054 /nfs/dbraw/zinc/56/20/54/1167562054.db2.gz AGNJMVVIJYEHCO-KBPBESRZSA-N 2 0 267.417 1.461 10 0 CDAERP CC[C@@H](C(=O)N1C[C@H]([NH2+]CCCOC)C(C)(C)C1)[NH+](C)C ZINC001571563722 1167600120 /nfs/dbraw/zinc/60/01/20/1167600120.db2.gz PEPQGMCIXVJXEL-KBPBESRZSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CCCC[NH+](C)C ZINC001565832018 1168179123 /nfs/dbraw/zinc/17/91/23/1168179123.db2.gz SLOAKHFDASYZHG-CQSZACIVSA-N 2 0 269.433 1.659 10 0 CDAERP CO[C@@H](C)C[N@H+](C)CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001566497734 1168307995 /nfs/dbraw/zinc/30/79/95/1168307995.db2.gz FNBSTBPCEONCTM-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[N@H+](C)CCCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001566518547 1168318180 /nfs/dbraw/zinc/31/81/80/1168318180.db2.gz HFRBFPFGXLKGNQ-OKILXGFUSA-N 2 0 269.433 1.707 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)N2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001647226004 1168465974 /nfs/dbraw/zinc/46/59/74/1168465974.db2.gz VXJXLASOHKMJOF-AWEZNQCLSA-N 2 0 294.443 1.256 10 0 CDAERP CC(C)(C(=O)NC[C@@H]1CC[N@@H+]1CCC1CC1)[NH+]1CCCC1 ZINC001483670204 912490443 /nfs/dbraw/zinc/49/04/43/912490443.db2.gz LJNLBOUNCRHKID-HNNXBMFYSA-N 2 0 293.455 1.851 10 0 CDAERP CCC[NH2+]C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001567130154 1168587135 /nfs/dbraw/zinc/58/71/35/1168587135.db2.gz GHQMJRKKOWPSQO-AWEZNQCLSA-N 2 0 279.428 1.463 10 0 CDAERP C[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@@](C)(C(F)F)O1 ZINC000698812070 912893217 /nfs/dbraw/zinc/89/32/17/912893217.db2.gz KLMGWJYKBYOXHV-DCQANWLSSA-N 2 0 262.344 1.858 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001567215325 1168624294 /nfs/dbraw/zinc/62/42/94/1168624294.db2.gz UFWSONDXFKWVMU-ZBFHGGJFSA-N 2 0 293.455 1.779 10 0 CDAERP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](C)CC[C@H](C)F ZINC001480865029 894156975 /nfs/dbraw/zinc/15/69/75/894156975.db2.gz YKZWEXHTDDZZEY-UONOGXRCSA-N 2 0 287.423 1.655 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@H]2CC[N@H+](CCCCCF)C2)CCC1 ZINC001266322996 894384746 /nfs/dbraw/zinc/38/47/46/894384746.db2.gz RUAIPTSJCHPWOD-AWEZNQCLSA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)=CC[N@H+](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001266332646 894417119 /nfs/dbraw/zinc/41/71/19/894417119.db2.gz VDBXHENVAHLEBS-UHFFFAOYSA-N 2 0 281.444 1.733 10 0 CDAERP CCOCC[N@H+](C)CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001266335476 894427431 /nfs/dbraw/zinc/42/74/31/894427431.db2.gz WYLWGCLPLZLQDB-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001266359627 894556367 /nfs/dbraw/zinc/55/63/67/894556367.db2.gz ZKSZRBJSVPWSPQ-JZIMQPMSSA-N 2 0 279.428 1.629 10 0 CDAERP CC/C=C\CC[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001480878749 895085685 /nfs/dbraw/zinc/08/56/85/895085685.db2.gz HXSLBLBLBLFEKO-IYKSTZQJSA-N 2 0 281.444 1.875 10 0 CDAERP CCCC[N@@H+]1CC[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001266550709 895325911 /nfs/dbraw/zinc/32/59/11/895325911.db2.gz BTWAXKCGDRNGOP-CQSZACIVSA-N 2 0 269.433 1.565 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H](CNC(=O)Cn2ccnc2)C1 ZINC001266551239 895331042 /nfs/dbraw/zinc/33/10/42/895331042.db2.gz NWYSWTCDSSDTDJ-AWEZNQCLSA-N 2 0 278.400 1.511 10 0 CDAERP CC[C@H](C)C[NH2+]CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001567507564 1168818338 /nfs/dbraw/zinc/81/83/38/1168818338.db2.gz GPMHXUGULMSCIY-ZDUSSCGKSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]CCC[C@@H](C)O ZINC001266699868 895857725 /nfs/dbraw/zinc/85/77/25/895857725.db2.gz QXYFKHPUOMPZEB-HUUCEWRRSA-N 2 0 299.459 1.068 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CC[NH2+]CC(C)C)C1 ZINC001266812925 896103788 /nfs/dbraw/zinc/10/37/88/896103788.db2.gz BMSZVPOWFWCVMQ-HNNXBMFYSA-N 2 0 283.460 1.812 10 0 CDAERP CCCC[NH2+]C[C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001266816343 896112156 /nfs/dbraw/zinc/11/21/56/896112156.db2.gz AOUQMCJAMLWSGM-JKSUJKDBSA-N 2 0 295.471 1.957 10 0 CDAERP CCCCC[C@H](C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723891754 896253625 /nfs/dbraw/zinc/25/36/25/896253625.db2.gz QSNIGOVXECAZDP-QLFBSQMISA-N 2 0 283.460 1.988 10 0 CDAERP C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000693562286 896658598 /nfs/dbraw/zinc/65/85/98/896658598.db2.gz NHDUDUVAIHKHSY-BBWFWOEESA-N 2 0 273.424 1.930 10 0 CDAERP CC(C)CC[NH2+]CCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001267116537 896833834 /nfs/dbraw/zinc/83/38/34/896833834.db2.gz CHYBZOTXNHKSMF-UHFFFAOYSA-N 2 0 283.460 1.957 10 0 CDAERP CC(C)COCC[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001267202541 897137661 /nfs/dbraw/zinc/13/76/61/897137661.db2.gz BEELUPKDCJXRAB-OAHLLOKOSA-N 2 0 299.459 1.191 10 0 CDAERP CCCCNC(=O)CC[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001176628823 914193413 /nfs/dbraw/zinc/19/34/13/914193413.db2.gz AFJOIDXLIDHMQL-HIFRSBDPSA-N 2 0 267.417 1.176 10 0 CDAERP CN(CC[NH2+]CCC(F)(F)F)C(=O)C12CC[NH+](CC1)C2 ZINC001267456805 897934685 /nfs/dbraw/zinc/93/46/85/897934685.db2.gz KNNCPSVLSXKZJI-UHFFFAOYSA-N 2 0 293.333 1.083 10 0 CDAERP CC(C)C[C@H](CNC(=[NH2+])NC1CC1)[NH+]1CCCC1 ZINC000066245082 898254530 /nfs/dbraw/zinc/25/45/30/898254530.db2.gz OJLVFFZVFRSSBN-CYBMUJFWSA-N 2 0 252.406 1.564 10 0 CDAERP CC(C)C[NH2+]CCN(C)C(=O)[C@H](c1ccccc1)N(C)C ZINC001567612979 1168887357 /nfs/dbraw/zinc/88/73/57/1168887357.db2.gz RIAFSKWDEKQSBO-INIZCTEOSA-N 2 0 291.439 1.993 10 0 CDAERP CCCC[NH2+]CC1(NC(=O)CC[NH+](C)C)CCCC1 ZINC001267841577 899853597 /nfs/dbraw/zinc/85/35/97/899853597.db2.gz UMZQJSWKYYTBQC-UHFFFAOYSA-N 2 0 269.433 1.757 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1COC2(CCCC2)O1 ZINC000925684177 900105646 /nfs/dbraw/zinc/10/56/46/900105646.db2.gz DYHKIESDQZSHAX-MBOZISHXSA-N 2 0 280.412 1.602 10 0 CDAERP CCC[NH2+]C[C@H](CC(C)C)NC(=O)C[NH+]1CCCC1 ZINC001268116396 901327918 /nfs/dbraw/zinc/32/79/18/901327918.db2.gz NFDOIJOCBNWJLY-AWEZNQCLSA-N 2 0 269.433 1.613 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCOCC(C)C)C1)[NH+](C)C ZINC001481695159 901821120 /nfs/dbraw/zinc/82/11/20/901821120.db2.gz FKVJFLFRFXZSPS-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001481975789 902429472 /nfs/dbraw/zinc/42/94/72/902429472.db2.gz BFNSGCUZZLLSEW-OWCLPIDISA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)CCC(=O)NCCC1CC[NH+](CC2CCC2)CC1 ZINC001482045282 902540102 /nfs/dbraw/zinc/54/01/02/902540102.db2.gz CNKVIXBFZNRRAH-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP Cc1ncsc1CC[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001268660364 902914242 /nfs/dbraw/zinc/91/42/42/902914242.db2.gz LWNPMZKEBISVNU-LLVKDONJSA-N 2 0 298.456 1.040 10 0 CDAERP O=C(NCC1([NH2+]CCCF)CC1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001269505296 903870928 /nfs/dbraw/zinc/87/09/28/903870928.db2.gz AVLVPXJICBCUPE-ZIAGYGMSSA-N 2 0 297.418 1.601 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCF ZINC001482292037 904673626 /nfs/dbraw/zinc/67/36/26/904673626.db2.gz JCLGSMZCUZIQHX-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CCCF)C1 ZINC001270778915 905034724 /nfs/dbraw/zinc/03/47/24/905034724.db2.gz JTFYXCNYVQBYPM-HOCLYGCPSA-N 2 0 299.434 1.659 10 0 CDAERP COCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001271677749 906590987 /nfs/dbraw/zinc/59/09/87/906590987.db2.gz NQFCKMUXMMRQSJ-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP CCOCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001567939570 1169080937 /nfs/dbraw/zinc/08/09/37/1169080937.db2.gz SWEXYXRHQHUVKH-HUUCEWRRSA-N 2 0 299.459 1.286 10 0 CDAERP CCN(CC[NH2+]CCF)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001482929679 908497626 /nfs/dbraw/zinc/49/76/26/908497626.db2.gz FLQVPECDWNLINU-CYBMUJFWSA-N 2 0 273.396 1.268 10 0 CDAERP C[N@@H+]1CCN(C(=O)CC2([NH3+])CCC2)CCC1(C)C ZINC000712671510 909574305 /nfs/dbraw/zinc/57/43/05/909574305.db2.gz PFXLSVVQRDJCPG-UHFFFAOYSA-N 2 0 253.390 1.201 10 0 CDAERP C[N@@H+]1CCN(C(=O)CC[C@H]2CCC[NH2+]C2)CCC1(C)C ZINC000712691198 909586000 /nfs/dbraw/zinc/58/60/00/909586000.db2.gz UKUHZSSRSLXGKR-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)CCCCC[NH3+])CC1 ZINC000715176693 909853935 /nfs/dbraw/zinc/85/39/35/909853935.db2.gz CPHOWEQQRVPZIV-UHFFFAOYSA-N 2 0 269.433 1.838 10 0 CDAERP CCC[NH2+]C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001483198044 909958922 /nfs/dbraw/zinc/95/89/22/909958922.db2.gz VPAOQCMYWFZMMM-CYBMUJFWSA-N 2 0 255.406 1.367 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1nccs1)[NH+](C)C ZINC001273018946 921572086 /nfs/dbraw/zinc/57/20/86/921572086.db2.gz QIACJAHEYSIECB-NEPJUHHUSA-N 2 0 298.456 1.468 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1nccs1 ZINC001409459980 910416585 /nfs/dbraw/zinc/41/65/85/910416585.db2.gz HYCWRGLTRLMKGF-RYUDHWBXSA-N 2 0 298.456 1.466 10 0 CDAERP C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000716631012 910661945 /nfs/dbraw/zinc/66/19/45/910661945.db2.gz AYEJIHFXOUTNFD-QKGCVVFFSA-N 2 0 252.402 1.325 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC2CCC2)[C@H]1C ZINC001507298879 911052854 /nfs/dbraw/zinc/05/28/54/911052854.db2.gz RSGBEBADSVSAAZ-UKRRQHHQSA-N 2 0 281.444 1.706 10 0 CDAERP CC(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001507325440 911078515 /nfs/dbraw/zinc/07/85/15/911078515.db2.gz AEQXEZOUZCRXSV-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP Cc1cc(C[NH2+]CCCN(C)C(=O)C[NH+]2CCCC2)on1 ZINC001483508815 911211921 /nfs/dbraw/zinc/21/19/21/911211921.db2.gz BFVLHKAFXAUUBT-UHFFFAOYSA-N 2 0 294.399 1.017 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CC[NH+](C)[C@@H]1C ZINC000922518922 921649121 /nfs/dbraw/zinc/64/91/21/921649121.db2.gz KWKPLNBHUKMTPY-MCIONIFRSA-N 2 0 284.448 1.499 10 0 CDAERP CC(C)C[C@H](C)C[NH+]1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001483877065 915165244 /nfs/dbraw/zinc/16/52/44/915165244.db2.gz NGECPKLRSUUGOL-AWEZNQCLSA-N 2 0 283.460 1.763 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CCF)CCN1C(=O)CCCC[NH+](C)C ZINC001483915847 915188227 /nfs/dbraw/zinc/18/82/27/915188227.db2.gz IOPGKYOBFPHSCF-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP CCCC[NH2+]CC[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001484537229 915865214 /nfs/dbraw/zinc/86/52/14/915865214.db2.gz WSIKPTNYIQWMIU-HNNXBMFYSA-N 2 0 295.471 1.957 10 0 CDAERP COCC[N@H+](C)CCCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001484769155 916160737 /nfs/dbraw/zinc/16/07/37/916160737.db2.gz OVOVHBQOSVNKSO-HUUCEWRRSA-N 2 0 299.459 1.286 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)N(C)CCF)C1 ZINC001485341681 916854487 /nfs/dbraw/zinc/85/44/87/916854487.db2.gz KQIINARXHVBMBL-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001485706516 917187129 /nfs/dbraw/zinc/18/71/29/917187129.db2.gz IIUPBZVOLQNMNV-KKUMJFAQSA-N 2 0 281.444 1.755 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H](C[NH2+]C/C=C/Cl)C2)C1 ZINC001485701979 917205763 /nfs/dbraw/zinc/20/57/63/917205763.db2.gz DNPVGZHGUGFAKV-WSUFCMERSA-N 2 0 299.846 1.565 10 0 CDAERP [NH3+]Cc1cccc(C(=O)NC2CC([NH+]3CCCCC3)C2)c1 ZINC000831959895 936549567 /nfs/dbraw/zinc/54/95/67/936549567.db2.gz ASDFYZMYKILMLR-UHFFFAOYSA-N 2 0 287.407 1.892 10 0 CDAERP CC(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001568263316 1169207260 /nfs/dbraw/zinc/20/72/60/1169207260.db2.gz WSODOSLMDQJAKM-STQMWFEESA-N 2 0 255.406 1.173 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC001486092717 920691458 /nfs/dbraw/zinc/69/14/58/920691458.db2.gz GWICZNGJKARYNU-KGLIPLIRSA-N 2 0 279.428 1.461 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001486201071 920807308 /nfs/dbraw/zinc/80/73/08/920807308.db2.gz BPLGEYJFCYPNFH-UONOGXRCSA-N 2 0 281.444 1.755 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)(C)C ZINC001486397550 920963372 /nfs/dbraw/zinc/96/33/72/920963372.db2.gz QHDOPGHRJWDBRK-ZIAGYGMSSA-N 2 0 281.444 1.469 10 0 CDAERP CCCCCC[N@H+](C)CC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000834636421 936698861 /nfs/dbraw/zinc/69/88/61/936698861.db2.gz OJHUOEMBQLGNRH-ZIAGYGMSSA-N 2 0 269.433 1.613 10 0 CDAERP CC[NH+]1CC([C@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001409960802 921962291 /nfs/dbraw/zinc/96/22/91/921962291.db2.gz CNUJXTCMHZIARP-DZGCQCFKSA-N 2 0 281.444 1.563 10 0 CDAERP CCN(CC[NH2+]CCC(C)C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001273609976 922269495 /nfs/dbraw/zinc/26/94/95/922269495.db2.gz GCYVZZVCCHALQL-HNNXBMFYSA-N 2 0 283.460 1.812 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)C[C@H]1CC(C)(C)OC1(C)C ZINC000709701210 923209928 /nfs/dbraw/zinc/20/99/28/923209928.db2.gz CUQWDVYIHUPMRA-CYBMUJFWSA-N 2 0 272.433 1.748 10 0 CDAERP OC[C@H]1C[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000923004628 923442284 /nfs/dbraw/zinc/44/22/84/923442284.db2.gz DWAOTVLXMWQOMP-HAQNSBGRSA-N 2 0 258.325 1.128 10 0 CDAERP CCCNC(=O)C1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000923301033 923722527 /nfs/dbraw/zinc/72/25/27/923722527.db2.gz NNZCAZZDMKXRGP-UHFFFAOYSA-N 2 0 267.417 1.367 10 0 CDAERP C[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923306801 923723174 /nfs/dbraw/zinc/72/31/74/923723174.db2.gz QDWNIRPPAPPUSV-ZBFHGGJFSA-N 2 0 290.407 1.248 10 0 CDAERP C[N@H+](CCc1ccccc1F)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923308404 923727868 /nfs/dbraw/zinc/72/78/68/923727868.db2.gz BILKODQKCRXMRW-AWEZNQCLSA-N 2 0 278.371 1.679 10 0 CDAERP CC(C)[C@H]1C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCS1 ZINC000923314909 923730681 /nfs/dbraw/zinc/73/06/81/923730681.db2.gz NMBYXQOYHMVHOP-QWHCGFSZSA-N 2 0 270.442 1.438 10 0 CDAERP CC1(C)C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCc2ccccc21 ZINC000923386273 923799632 /nfs/dbraw/zinc/79/96/32/923799632.db2.gz MBBWKJYLHGJVOT-BPUTZDHNSA-N 2 0 274.408 1.673 10 0 CDAERP CCO[C@@H]1C[N@H+](C[C@H](O)c2ccc(C)cc2)C[C@H]1C[NH3+] ZINC000923387475 923802476 /nfs/dbraw/zinc/80/24/76/923802476.db2.gz ONQRUDBZGIMJJM-OWCLPIDISA-N 2 0 278.396 1.324 10 0 CDAERP COC[C@H](O)C[N@@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000923420084 923826795 /nfs/dbraw/zinc/82/67/95/923826795.db2.gz FQCJDXIIUDHFAF-BMFZPTHFSA-N 2 0 284.444 1.613 10 0 CDAERP C=C/C=C/CC[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923446710 923835011 /nfs/dbraw/zinc/83/50/11/923835011.db2.gz NHMIHWDWRDGHDM-XGACYXMMSA-N 2 0 250.386 1.949 10 0 CDAERP Cc1cccc(C)c1OCCN1CC[NH2+]CC[NH2+]CC1 ZINC000923462204 923848031 /nfs/dbraw/zinc/84/80/31/923848031.db2.gz DGROXQHYOZLCOA-UHFFFAOYSA-N 2 0 277.412 1.177 10 0 CDAERP COC(=O)c1ccccc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923496160 923872628 /nfs/dbraw/zinc/87/26/28/923872628.db2.gz FZZYQNSRPGXMKE-STQMWFEESA-N 2 0 276.380 1.890 10 0 CDAERP C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2F)CC[C@H]1C[NH3+] ZINC000923490254 923876135 /nfs/dbraw/zinc/87/61/35/923876135.db2.gz CDZBFVLIVADHRM-JRPNMDOOSA-N 2 0 284.350 1.915 10 0 CDAERP Cc1cccnc1NC(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923491879 923879473 /nfs/dbraw/zinc/87/94/73/923879473.db2.gz UUHCRDCHGPDKTJ-OLZOCXBDSA-N 2 0 276.384 1.245 10 0 CDAERP O=C1OCCN1CC[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923504620 923885411 /nfs/dbraw/zinc/88/54/11/923885411.db2.gz BWLGTCALKZETFT-CQSZACIVSA-N 2 0 295.427 1.540 10 0 CDAERP C[C@H]1C[N@H+](CCC(=O)NC2CCCC2)CC[C@@H]1C[NH3+] ZINC000923501062 923887118 /nfs/dbraw/zinc/88/71/18/923887118.db2.gz YWARMBGTGKPZIC-QWHCGFSZSA-N 2 0 267.417 1.352 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCCC[NH+]2CCCF)C1 ZINC001491231340 936881670 /nfs/dbraw/zinc/88/16/70/936881670.db2.gz SJRYGMPWGVOKQJ-CABCVRRESA-N 2 0 299.434 1.659 10 0 CDAERP CC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001273710402 924781172 /nfs/dbraw/zinc/78/11/72/924781172.db2.gz UIBLNZFCYWYWED-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@@H]([NH2+]CCC[NH3+])c1ccc(N2CCCC2=O)cc1 ZINC000841097671 936975487 /nfs/dbraw/zinc/97/54/87/936975487.db2.gz NJVRUJIQIGZJIA-GFCCVEGCSA-N 2 0 261.369 1.813 10 0 CDAERP CCN(CC[NH2+]CC(C)C)C(=O)C[NH+]1CCCC1 ZINC001273752902 925224813 /nfs/dbraw/zinc/22/48/13/925224813.db2.gz MEVSQPKXIDNDBN-UHFFFAOYSA-N 2 0 255.406 1.176 10 0 CDAERP CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1conc1C)[NH+](C)C ZINC001441540792 926728172 /nfs/dbraw/zinc/72/81/72/926728172.db2.gz QMFSNBXHVCPAQS-BXUZGUMPSA-N 2 0 296.415 1.260 10 0 CDAERP CC(C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001488879308 926748445 /nfs/dbraw/zinc/74/84/45/926748445.db2.gz ADDKSNNJNSEPCE-JYJNAYRXSA-N 2 0 295.471 2.000 10 0 CDAERP Clc1cc2c(nn1)CN(CCC1CC[NH2+]CC1)CC2 ZINC000843392456 937145317 /nfs/dbraw/zinc/14/53/17/937145317.db2.gz OBFOXJFDZQXJJV-UHFFFAOYSA-N 2 0 280.803 1.878 10 0 CDAERP [NH3+]CCCCCC[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000852755121 927861334 /nfs/dbraw/zinc/86/13/34/927861334.db2.gz YQYVDVGKAGSCFA-ZDUSSCGKSA-N 2 0 251.378 1.119 10 0 CDAERP [NH3+][C@@H]1CCc2ncc(NC(=O)C=C3CC[NH2+]CC3)cc2C1 ZINC000852873733 927903767 /nfs/dbraw/zinc/90/37/67/927903767.db2.gz BJWAXHOEMRHMDE-CYBMUJFWSA-N 2 0 286.379 1.146 10 0 CDAERP C[C@H](CN1CCCC1=O)[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693741082 937251482 /nfs/dbraw/zinc/25/14/82/937251482.db2.gz RBXPFHKMYVTFFU-RJZRQDKASA-N 2 0 279.428 1.364 10 0 CDAERP C[C@@H](C[NH2+]Cc1cn(C)nc1Cl)CN1CC[NH+](C)CC1 ZINC000856769718 928624669 /nfs/dbraw/zinc/62/46/69/928624669.db2.gz ZDJGOQRYRLVGND-LBPRGKRZSA-N 2 0 299.850 1.047 10 0 CDAERP CN1CCC[C@H]1C[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000858307236 928834019 /nfs/dbraw/zinc/83/40/19/928834019.db2.gz DXHJUDKAUQEFFO-DCAQKATOSA-N 2 0 266.307 1.780 10 0 CDAERP C[S@@](=O)CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000798194281 928862416 /nfs/dbraw/zinc/86/24/16/928862416.db2.gz ZBYURMCNPMWRPQ-QGZVFWFLSA-N 2 0 258.431 1.173 10 0 CDAERP COC(=O)N(C)CC[N@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000697555272 937283262 /nfs/dbraw/zinc/28/32/62/937283262.db2.gz XEBMCOPSHTXAEN-NEPJUHHUSA-N 2 0 257.378 1.005 10 0 CDAERP Cc1c(C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)ccnc1F ZINC000862277509 929396158 /nfs/dbraw/zinc/39/61/58/929396158.db2.gz CZYSWSDYBNXEJZ-ZDUSSCGKSA-N 2 0 294.418 1.502 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(N(C)C(C)=O)cc1 ZINC000863542056 929567487 /nfs/dbraw/zinc/56/74/87/929567487.db2.gz DZSKSTHINHTHJW-OAHLLOKOSA-N 2 0 293.411 1.513 10 0 CDAERP C[NH+]1CCC(C(=O)N2CC[N@H+](C)[C@@H](C(C)(C)C)C2)CC1 ZINC000880614755 929726094 /nfs/dbraw/zinc/72/60/94/929726094.db2.gz YXOVXSVVEGHVTL-CQSZACIVSA-N 2 0 281.444 1.517 10 0 CDAERP C[NH+]1CCC2(CCC[N@@H+]([C@@H]3CCCNC3=O)C2)CC1 ZINC000799178609 937381167 /nfs/dbraw/zinc/38/11/67/937381167.db2.gz XLODLLAOBOIFAM-CYBMUJFWSA-N 2 0 265.401 1.073 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2CCC[N@H+](C)CC2)C1 ZINC001135486774 930220762 /nfs/dbraw/zinc/22/07/62/930220762.db2.gz GPQNOFFIMOJUCL-KGLIPLIRSA-N 2 0 267.417 1.271 10 0 CDAERP CCOC(=O)C(F)(F)[C@H]1CC[C@H]([NH2+]CCC[NH3+])C1 ZINC000817938088 930635175 /nfs/dbraw/zinc/63/51/75/930635175.db2.gz DEHOQQFJQVJPBH-UWVGGRQHSA-N 2 0 264.316 1.292 10 0 CDAERP CCCC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001279193220 931830688 /nfs/dbraw/zinc/83/06/88/931830688.db2.gz JRDHMZXGXKKJTH-GJZGRUSLSA-N 2 0 281.444 1.566 10 0 CDAERP CC[NH2+][C@H](C)[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001275525946 931855964 /nfs/dbraw/zinc/85/59/64/931855964.db2.gz BRWYFTPKSTUXOC-CHWSQXEVSA-N 2 0 255.406 1.221 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCCC1 ZINC001411644916 931939827 /nfs/dbraw/zinc/93/98/27/931939827.db2.gz RRCLENDQMCROAY-KBPBESRZSA-N 2 0 279.428 1.604 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H]([NH2+]CCC2CC2)C1 ZINC001447542180 932078551 /nfs/dbraw/zinc/07/85/51/932078551.db2.gz QDSCEWHFAFSGKH-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)C[C@H]([NH3+])C1CC1 ZINC000846691502 932112668 /nfs/dbraw/zinc/11/26/68/932112668.db2.gz NAQIHQFDLVVQJF-AWEZNQCLSA-N 2 0 261.369 1.150 10 0 CDAERP CN(CCC[NH2+]C/C=C/Cl)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001276007335 932228244 /nfs/dbraw/zinc/22/82/44/932228244.db2.gz QOIVNEMRQNVCPH-HSVJCBRXSA-N 2 0 299.846 1.519 10 0 CDAERP C[NH2+]CCCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000719718658 932231216 /nfs/dbraw/zinc/23/12/16/932231216.db2.gz GIYHOFQTMKQKQG-OLZOCXBDSA-N 2 0 253.390 1.071 10 0 CDAERP C[C@@H]1CC2(CC([NH2+]CC(C)(C)N3CC[NH+](C)CC3)C2)CO1 ZINC000924629262 932805560 /nfs/dbraw/zinc/80/55/60/932805560.db2.gz NVJUPKWETMWVIL-HPUBIQBYSA-N 2 0 295.471 1.560 10 0 CDAERP CC(C)[C@@H](C[NH2+][C@H](C)c1ccnnc1)N1CC[NH+](C)CC1 ZINC000924631846 932805841 /nfs/dbraw/zinc/80/58/41/932805841.db2.gz OYLUYGFEMVFMTC-GDBMZVCRSA-N 2 0 291.443 1.399 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)CC1 ZINC000924668600 932810670 /nfs/dbraw/zinc/81/06/70/932810670.db2.gz DVALQAKETSVQCJ-TWMKSMIVSA-N 2 0 277.456 1.957 10 0 CDAERP CCn1nc(C)c([C@@H](C)[NH2+]CCCC[NH+](C)C)n1 ZINC000924851627 932826661 /nfs/dbraw/zinc/82/66/61/932826661.db2.gz AGECPGZJHMIISA-LLVKDONJSA-N 2 0 253.394 1.599 10 0 CDAERP C[C@H]1COC[C@H](C)C1[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000924956947 932836279 /nfs/dbraw/zinc/83/62/79/932836279.db2.gz CLDWBWFRBBOBQE-GJZGRUSLSA-N 2 0 297.487 1.521 10 0 CDAERP C[C@H](C[NH2+][C@H](C)c1cc(O)cc(F)c1)N1CC[NH+](C)CC1 ZINC000924966637 932837323 /nfs/dbraw/zinc/83/73/23/932837323.db2.gz SVFMBUNKKIFGHL-CHWSQXEVSA-N 2 0 295.402 1.818 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)CC1 ZINC000925111766 932852024 /nfs/dbraw/zinc/85/20/24/932852024.db2.gz CWRYABVKIJYTBB-CABCVRRESA-N 2 0 282.428 1.238 10 0 CDAERP C[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)N1CC[NH+](C)CC1 ZINC000925491855 932893452 /nfs/dbraw/zinc/89/34/52/932893452.db2.gz GIVKHCJRXNTUJR-KFWWJZLASA-N 3 0 282.476 1.118 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](O)Cc2ccccc2)C12CCC2 ZINC000925498396 932894554 /nfs/dbraw/zinc/89/45/54/932894554.db2.gz DWGOUTGRRYOSIB-RBSFLKMASA-N 2 0 260.381 1.450 10 0 CDAERP COC1CCN(CC[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925543431 932901680 /nfs/dbraw/zinc/90/16/80/932901680.db2.gz SUKBQFOPKVFTEM-KGLIPLIRSA-N 2 0 283.460 1.593 10 0 CDAERP C[C@H](Cn1ccnc1)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925543891 932902947 /nfs/dbraw/zinc/90/29/47/932902947.db2.gz OGCIASKVTRXAQZ-UPJWGTAASA-N 2 0 250.390 1.767 10 0 CDAERP COC(=O)N1CCC([C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000925645051 932919670 /nfs/dbraw/zinc/91/96/70/932919670.db2.gz OSZLYMYPYLHAFJ-IACUBPJLSA-N 2 0 295.427 1.713 10 0 CDAERP Cc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)c(=O)n1C ZINC000925656615 932922526 /nfs/dbraw/zinc/92/25/26/932922526.db2.gz KFGSECGMZZZHBO-KBPBESRZSA-N 2 0 277.412 1.689 10 0 CDAERP OCC1(CC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925688157 932927516 /nfs/dbraw/zinc/92/75/16/932927516.db2.gz DLYBEMICOYVLLZ-GJZGRUSLSA-N 2 0 266.429 1.907 10 0 CDAERP O[C@H]1CCCC[C@@H]1C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925691565 932927672 /nfs/dbraw/zinc/92/76/72/932927672.db2.gz NZJRKHSANYTGQB-RDBSUJKOSA-N 2 0 252.402 1.802 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000925720157 932931430 /nfs/dbraw/zinc/93/14/30/932931430.db2.gz XECCMEBWNQXWGF-LWWDWZNRSA-N 2 0 250.386 1.659 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]CCn2ccc(C(F)(F)F)n2)C12CCC2 ZINC000925729727 932933374 /nfs/dbraw/zinc/93/33/74/932933374.db2.gz LJKVGRFMTINABU-MWLCHTKSSA-N 2 0 288.317 1.761 10 0 CDAERP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H]1C[NH2+]CCC1(F)F ZINC000925777227 932938011 /nfs/dbraw/zinc/93/80/11/932938011.db2.gz OSPUQHAVWLVZGU-CFVMTHIKSA-N 2 0 297.393 1.779 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000925785371 932939337 /nfs/dbraw/zinc/93/93/37/932939337.db2.gz KVIDBMPRGVJLGL-YALNPMBYSA-N 2 0 288.439 1.490 10 0 CDAERP CC[C@@H]1CC[C@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925846189 932945804 /nfs/dbraw/zinc/94/58/04/932945804.db2.gz LMBHUNYIAJPRPY-HUUCEWRRSA-N 2 0 253.434 1.840 10 0 CDAERP C1CC1([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCCO1 ZINC000925893031 932949461 /nfs/dbraw/zinc/94/94/61/932949461.db2.gz JVLXDMYYFGBYOL-PIGZVRMJSA-N 2 0 250.386 1.961 10 0 CDAERP C[NH+](C)CCOCC[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000926254704 932976221 /nfs/dbraw/zinc/97/62/21/932976221.db2.gz NGTSZTAGZWPILX-LSDHHAIUSA-N 2 0 269.433 1.171 10 0 CDAERP COC1(OC)CC[C@@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000926487973 932993792 /nfs/dbraw/zinc/99/37/92/932993792.db2.gz QIKVXQGIONSRNG-AWEZNQCLSA-N 2 0 270.417 1.994 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H](O)Cc1cccc(F)c1 ZINC000926497684 932995703 /nfs/dbraw/zinc/99/57/03/932995703.db2.gz NMEAIVZIRMTGBU-NUCGDHGJSA-N 2 0 292.398 1.659 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000926534532 932997802 /nfs/dbraw/zinc/99/78/02/932997802.db2.gz CTIGSCCHRRQBCB-BUWKTABGSA-N 2 0 252.402 1.467 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCO[C@H]2CCOC2)C[C@H]1C ZINC000929779098 933270100 /nfs/dbraw/zinc/27/01/00/933270100.db2.gz DHPKCIYXFLNIAY-ILXRZTDVSA-N 2 0 270.417 1.597 10 0 CDAERP C[N@@H+]1CC[C@@H]2C[NH+](CC[C@@H]3CCCCO3)C[C@@H]2C1 ZINC000931435909 933559010 /nfs/dbraw/zinc/55/90/10/933559010.db2.gz IXNPEZIAGKTQMQ-ILXRZTDVSA-N 2 0 252.402 1.829 10 0 CDAERP C[NH+]1CCC2(CC1)CC[NH+](CCOC1CC1)CC2 ZINC000931467850 933568607 /nfs/dbraw/zinc/56/86/07/933568607.db2.gz OJTWKRIUXKWKCH-UHFFFAOYSA-N 2 0 252.402 1.973 10 0 CDAERP C(C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1)OCC1CC1 ZINC001119439236 937720002 /nfs/dbraw/zinc/72/00/02/937720002.db2.gz SDEGXJNWLOUYHK-OAHLLOKOSA-N 2 0 252.402 1.879 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCCOC)C1 ZINC001490856983 934563170 /nfs/dbraw/zinc/56/31/70/934563170.db2.gz WYXRPTFKIAMLOA-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)[NH+]1CCC([NH2+]C2CC(CC(N)=O)C2)CC1 ZINC000718516059 934824531 /nfs/dbraw/zinc/82/45/31/934824531.db2.gz PVBHSNYDSIZREJ-UHFFFAOYSA-N 2 0 253.390 1.103 10 0 CDAERP CC[NH2+]CC1CC[NH+](Cc2cc(C)nnc2C)CC1 ZINC000720592406 935197430 /nfs/dbraw/zinc/19/74/30/935197430.db2.gz NVRHXQITBDZHBD-UHFFFAOYSA-N 2 0 262.401 1.915 10 0 CDAERP CCO[C@@H]1C[N@H+](C[C@@H]2C[C@H]3CCC[C@H]3O2)C[C@H]1C[NH3+] ZINC000720797588 935248176 /nfs/dbraw/zinc/24/81/76/935248176.db2.gz WMMMTBYQKPNUIL-UXXRCYHCSA-N 2 0 268.401 1.240 10 0 CDAERP CCSCC[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720811406 935248976 /nfs/dbraw/zinc/24/89/76/935248976.db2.gz OTJGGURBMBOTIQ-IUCAKERBSA-N 2 0 256.337 1.809 10 0 CDAERP CN(C[C@@H](O)C[NH2+][C@@H]1CCOCC12CCCC2)C1CC1 ZINC001460968304 935946469 /nfs/dbraw/zinc/94/64/69/935946469.db2.gz XEHLHHWYFFDWFG-LSDHHAIUSA-N 2 0 282.428 1.380 10 0 CDAERP C[NH+](C)CCCNC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2[NH2+]1 ZINC000250348968 938952845 /nfs/dbraw/zinc/95/28/45/938952845.db2.gz IQRDFPSSILOWJE-MCIONIFRSA-N 2 0 267.417 1.365 10 0 CDAERP C[NH2+]CCCCC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000720510414 940455396 /nfs/dbraw/zinc/45/53/96/940455396.db2.gz LDWDWLUZQGBBQY-QWHCGFSZSA-N 2 0 285.457 1.072 10 0 CDAERP C[NH2+]CCCCC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000720510415 940455664 /nfs/dbraw/zinc/45/56/64/940455664.db2.gz LDWDWLUZQGBBQY-STQMWFEESA-N 2 0 285.457 1.072 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]CCCOC[C@H]2CCCO2)C12CCC2 ZINC000405296546 940979703 /nfs/dbraw/zinc/97/97/03/940979703.db2.gz HAVXXIUXXNVBSO-MCIONIFRSA-N 2 0 268.401 1.432 10 0 CDAERP CCN(CC[NH2+]CC1CCC1)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001568775969 1169471190 /nfs/dbraw/zinc/47/11/90/1169471190.db2.gz RWJKIXWSFGUUHE-AWEZNQCLSA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)C[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001473875997 970871652 /nfs/dbraw/zinc/87/16/52/970871652.db2.gz GAGYAWMSUSWUOQ-UHFFFAOYSA-N 2 0 254.418 1.955 10 0 CDAERP C[N@H+](CC(=O)N1CC[C@@H](CC[NH2+]CC2CC2)C1)C1CCC1 ZINC001280073202 942416971 /nfs/dbraw/zinc/41/69/71/942416971.db2.gz MMHHLTQGAOIJBN-OAHLLOKOSA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)=CC[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001280757938 942483069 /nfs/dbraw/zinc/48/30/69/942483069.db2.gz YMJZVIKWYVNEBU-HNNXBMFYSA-N 2 0 281.444 1.875 10 0 CDAERP C[NH+](C)CCC(=O)N1CCCC[C@H]1C[NH2+]CCCF ZINC001281881229 942626943 /nfs/dbraw/zinc/62/69/43/942626943.db2.gz HVBJZJNSNSGGEW-ZDUSSCGKSA-N 2 0 273.396 1.268 10 0 CDAERP CCN(CC[NH2+]Cc1ccsc1)C(=O)C[NH+]1CCCC1 ZINC001568797387 1169479285 /nfs/dbraw/zinc/47/92/85/1169479285.db2.gz DOEWQWBNPDGMKP-UHFFFAOYSA-N 2 0 295.452 1.782 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)NC[C@H](C)[N@@H+](C)CC ZINC001282387937 942703098 /nfs/dbraw/zinc/70/30/98/942703098.db2.gz BSTKMUDMOGNAJW-RYUDHWBXSA-N 2 0 261.385 1.123 10 0 CDAERP CCOCC[N@@H+]1C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C(C)(C)C1 ZINC001282822116 942756963 /nfs/dbraw/zinc/75/69/63/942756963.db2.gz RKDZOPNJDNPCPH-KBPBESRZSA-N 2 0 299.459 1.190 10 0 CDAERP C[NH+]1CCC(C(=O)N[C@H]2C[C@H](C[NH2+]C/C=C/Cl)C2)CC1 ZINC001283081193 942818862 /nfs/dbraw/zinc/81/88/62/942818862.db2.gz WMMZHUQQWWLSTD-DFYOFRMFSA-N 2 0 299.846 1.565 10 0 CDAERP CC(C)OCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C ZINC001283897993 943023236 /nfs/dbraw/zinc/02/32/36/943023236.db2.gz HEVHUGIZNMCWRN-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP CC[N@@H+]1CCC[C@H](CNC(=O)CC[NH+]2CC[C@H](F)C2)C1 ZINC001362167134 970969503 /nfs/dbraw/zinc/96/95/03/970969503.db2.gz LJISLCRUXIEYDT-KGLIPLIRSA-N 2 0 285.407 1.268 10 0 CDAERP CC[C@@H](C(=O)NCC1=CC[N@H+](C[C@@H](C)OC)CC1)[NH+](C)C ZINC001284956442 943300054 /nfs/dbraw/zinc/30/00/54/943300054.db2.gz DMBDEWPLVCPHAN-HIFRSBDPSA-N 2 0 297.443 1.110 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001263820938 943988928 /nfs/dbraw/zinc/98/89/28/943988928.db2.gz JVTUYARRFWTBCF-OAHLLOKOSA-N 2 0 281.444 1.805 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)CCCC[NH+](C)C ZINC001264377284 944119507 /nfs/dbraw/zinc/11/95/07/944119507.db2.gz YTLAPBNBLOKUNN-HNNXBMFYSA-N 2 0 283.460 1.907 10 0 CDAERP CC/C=C/CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC001265726459 944480241 /nfs/dbraw/zinc/48/02/41/944480241.db2.gz STROHOIGEAWVTI-SIKLRUGLSA-N 2 0 291.439 1.485 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001277987636 944522971 /nfs/dbraw/zinc/52/29/71/944522971.db2.gz IPLSUFNHXACKGD-HUUCEWRRSA-N 2 0 281.444 1.731 10 0 CDAERP C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)CC1CC(C)(C)C1 ZINC001265971275 944607093 /nfs/dbraw/zinc/60/70/93/944607093.db2.gz HASMGWUPJTZOSZ-OAHLLOKOSA-N 2 0 295.471 1.812 10 0 CDAERP COCCCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]1C ZINC001278325382 946167787 /nfs/dbraw/zinc/16/77/87/946167787.db2.gz IUKASTYQRHMPKZ-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+]2CC[C@@H](F)C2)C1 ZINC001362385677 971215008 /nfs/dbraw/zinc/21/50/08/971215008.db2.gz LSLQEGXSODKOFU-UONOGXRCSA-N 2 0 285.407 1.221 10 0 CDAERP CN(C[C@H]1CC[N@@H+]1CC1CCC1)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001479260143 971277257 /nfs/dbraw/zinc/27/72/57/971277257.db2.gz GOVHJSMVDMTXJR-JKSUJKDBSA-N 2 0 293.455 1.661 10 0 CDAERP CC(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001479476648 971330341 /nfs/dbraw/zinc/33/03/41/971330341.db2.gz VWAWMLIDLBBTKM-OWCLPIDISA-N 2 0 295.471 1.859 10 0 CDAERP CC[N@H+](C)[C@@H]1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH+](C)C[C@@H]23)C1 ZINC001479591720 971342784 /nfs/dbraw/zinc/34/27/84/971342784.db2.gz YMHVFOFGPOYBNW-KBUPBQIOSA-N 2 0 294.443 1.062 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]1C ZINC001479725057 971384781 /nfs/dbraw/zinc/38/47/81/971384781.db2.gz RWEFZGMHGJZVBV-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CC[N@@H+]1CC[C@@](C)(NC(=O)C[C@H](C)n2ccnc2)C1 ZINC001278427253 947917014 /nfs/dbraw/zinc/91/70/14/947917014.db2.gz QGOQZVGRQTZNLN-GXTWGEPZSA-N 2 0 264.373 1.435 10 0 CDAERP CC(C)=CC[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001479879708 971468230 /nfs/dbraw/zinc/46/82/30/971468230.db2.gz HVUYRCZZVCXQNR-HNNXBMFYSA-N 2 0 293.455 1.875 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]([NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001480045051 971551337 /nfs/dbraw/zinc/55/13/37/971551337.db2.gz UBWPMJMKZMRFFO-HNNXBMFYSA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)C[NH2+][C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001480046488 971552227 /nfs/dbraw/zinc/55/22/27/971552227.db2.gz JHNXRMVDWVZGFN-DZGCQCFKSA-N 2 0 281.444 1.469 10 0 CDAERP CS[C@@H]1CN(C(=O)C2([NH+](C)C)CCCC2)C[C@H]1[NH+](C)C ZINC001362779826 971613732 /nfs/dbraw/zinc/61/37/32/971613732.db2.gz TXUPFLQJKXDTFE-CHWSQXEVSA-N 2 0 299.484 1.365 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CCC[C@H](C[NH2+]C/C=C/Cl)C1 ZINC001480303739 971663181 /nfs/dbraw/zinc/66/31/81/971663181.db2.gz GNMROLCHNSITFW-YVARQFDVSA-N 2 0 299.846 1.663 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001569081551 1169634790 /nfs/dbraw/zinc/63/47/90/1169634790.db2.gz QEILQCCJAIXZLX-KBPBESRZSA-N 2 0 267.417 1.389 10 0 CDAERP CC[N@@H+]1CCN(C(=O)NCCCC[NH+](C)C2CC2)[C@H](C)C1 ZINC001251723880 950772780 /nfs/dbraw/zinc/77/27/80/950772780.db2.gz OVELQKHQFLTGMK-CQSZACIVSA-N 2 0 296.459 1.596 10 0 CDAERP COCCC[NH2+]C1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001480410834 971707197 /nfs/dbraw/zinc/70/71/97/971707197.db2.gz ADSLPYDKADYCTK-UHFFFAOYSA-N 2 0 297.443 1.136 10 0 CDAERP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC1=CCCCC1 ZINC001480571217 971790195 /nfs/dbraw/zinc/79/01/95/971790195.db2.gz BQFSYPYNBOJJNG-HOCLYGCPSA-N 2 0 293.455 1.923 10 0 CDAERP CC(C)CC[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001480591379 971798253 /nfs/dbraw/zinc/79/82/53/971798253.db2.gz GZUBIEBHIPIYTF-CHWSQXEVSA-N 2 0 255.406 1.079 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)C1 ZINC001363117504 971901472 /nfs/dbraw/zinc/90/14/72/971901472.db2.gz DDLRZDLBJFIZJZ-SOUVJXGZSA-N 2 0 295.471 1.953 10 0 CDAERP CCOCCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001324629842 953481290 /nfs/dbraw/zinc/48/12/90/953481290.db2.gz TXQUZBUPIYFTPS-ZBFHGGJFSA-N 2 0 299.459 1.334 10 0 CDAERP C[NH+](C)CC1(C(=O)N2CC[C@](C)(C[NH2+]CCF)C2)CC1 ZINC001324774872 953570636 /nfs/dbraw/zinc/57/06/36/953570636.db2.gz DLOPDIWSCQSRLM-CQSZACIVSA-N 2 0 285.407 1.126 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CCC[NH+]2CCCF)C1 ZINC001493151684 971961374 /nfs/dbraw/zinc/96/13/74/971961374.db2.gz PBRXLAOTSCHTQV-UONOGXRCSA-N 2 0 285.407 1.268 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)C1 ZINC001363922397 954030031 /nfs/dbraw/zinc/03/00/31/954030031.db2.gz RRMNIVDGTVYWOB-QXSJWSMHSA-N 2 0 293.455 1.517 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC ZINC001325917894 954138887 /nfs/dbraw/zinc/13/88/87/954138887.db2.gz COCCIOZLFOCTMG-ZIAGYGMSSA-N 2 0 267.417 1.413 10 0 CDAERP CC(C)[C@H](C(=O)N1CC[C@H](CC[NH2+]CC2CC2)C1)[NH+](C)C ZINC001326417773 954371862 /nfs/dbraw/zinc/37/18/62/954371862.db2.gz FEGZRUICBKMPSW-JKSUJKDBSA-N 2 0 295.471 1.811 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001491805338 955406762 /nfs/dbraw/zinc/40/67/62/955406762.db2.gz SACOKHYQDOWYGN-HOCLYGCPSA-N 2 0 293.455 1.422 10 0 CDAERP CN(CC[NH2+]CCC1CCCC1)C(=O)C1(C[NH+](C)C)CC1 ZINC001493674586 972097460 /nfs/dbraw/zinc/09/74/60/972097460.db2.gz FQRBKGMFLZIUEE-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001491858504 955472441 /nfs/dbraw/zinc/47/24/41/955472441.db2.gz JPUUOFIHDNGBDU-KGLIPLIRSA-N 2 0 278.400 1.367 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@@H]1CCC[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001491894225 955495727 /nfs/dbraw/zinc/49/57/27/955495727.db2.gz NHTVASSFNWCFOK-ALCJFRFOSA-N 2 0 299.846 1.852 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCF)[C@@H](C)C1 ZINC001422024515 955705468 /nfs/dbraw/zinc/70/54/68/955705468.db2.gz FVOAGKCGXAIDDI-QWHCGFSZSA-N 2 0 273.396 1.123 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2cn[nH]c2)CC1 ZINC001365286684 955830196 /nfs/dbraw/zinc/83/01/96/955830196.db2.gz BODGNEGFQWDZIE-LBPRGKRZSA-N 2 0 293.415 1.049 10 0 CDAERP CC/C=C\CC[N@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001492425310 955880905 /nfs/dbraw/zinc/88/09/05/955880905.db2.gz ZCJDWLVENNYOOU-IYKSTZQJSA-N 2 0 281.444 1.733 10 0 CDAERP C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](C)[NH2+]Cc1ccccn1 ZINC001422389072 955977621 /nfs/dbraw/zinc/97/76/21/955977621.db2.gz QAQUMLMSXYGWCJ-ZIAGYGMSSA-N 2 0 292.427 1.406 10 0 CDAERP CCCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001329613617 956022294 /nfs/dbraw/zinc/02/22/94/956022294.db2.gz PQLBRYIZPZZEGF-CHWSQXEVSA-N 2 0 255.406 1.175 10 0 CDAERP C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C[NH2+]CC1CC1 ZINC001365594742 956189504 /nfs/dbraw/zinc/18/95/04/956189504.db2.gz KAMWOHZUXOSQKU-HOCLYGCPSA-N 2 0 293.455 1.566 10 0 CDAERP CC[N@@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C1 ZINC001330245412 956342476 /nfs/dbraw/zinc/34/24/76/956342476.db2.gz RWBLJKOSGRVBAS-ZDUSSCGKSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@H]1CC2(CN1C(=O)CC[NH+](C)C)CC[NH+](CCF)CC2 ZINC001365862801 956410209 /nfs/dbraw/zinc/41/02/09/956410209.db2.gz XMWPVQAOTZLKFJ-AWEZNQCLSA-N 2 0 299.434 1.611 10 0 CDAERP COCC[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001422891476 956431778 /nfs/dbraw/zinc/43/17/78/956431778.db2.gz MHYOMOFMUBAESH-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001366004155 956505233 /nfs/dbraw/zinc/50/52/33/956505233.db2.gz ORCUSJBLPIMLDC-HUUCEWRRSA-N 2 0 299.434 1.801 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]CCC1CC1)C1CC1 ZINC001366048133 956531192 /nfs/dbraw/zinc/53/11/92/956531192.db2.gz ZOQSGMOROJYEQD-CVEARBPZSA-N 2 0 293.455 1.755 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]C/C=C\Cl)C2)CC[N@@H+]1C ZINC001366118610 956579966 /nfs/dbraw/zinc/57/99/66/956579966.db2.gz DGBOVKBTMDLUSN-SGMHDBGRSA-N 2 0 299.846 1.706 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001366301655 956722797 /nfs/dbraw/zinc/72/27/97/956722797.db2.gz MZYFTLYVCDYOET-ZIAGYGMSSA-N 2 0 281.444 1.755 10 0 CDAERP CCN1CCO[C@@H](C(=O)NCC[N@H+](C)CCCC(C)C)C1 ZINC001366593699 957003403 /nfs/dbraw/zinc/00/34/03/957003403.db2.gz ZBYBRQUSNXKHMC-OAHLLOKOSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC1CCC1 ZINC001331407711 957030986 /nfs/dbraw/zinc/03/09/86/957030986.db2.gz SZBBMVQANMLLPZ-TZMCWYRMSA-N 2 0 267.417 1.317 10 0 CDAERP CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001424042357 957096951 /nfs/dbraw/zinc/09/69/51/957096951.db2.gz IFZTYWUSAPWDGF-UONOGXRCSA-N 2 0 283.460 1.668 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCCF ZINC001424055469 957101847 /nfs/dbraw/zinc/10/18/47/957101847.db2.gz SYBDYMRXLSCFLR-HUUCEWRRSA-N 2 0 299.434 1.753 10 0 CDAERP Cc1ncoc1C[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001366681670 957110172 /nfs/dbraw/zinc/11/01/72/957110172.db2.gz VSOBZERQIVPRBE-CYBMUJFWSA-N 2 0 294.399 1.015 10 0 CDAERP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001331912741 957330757 /nfs/dbraw/zinc/33/07/57/957330757.db2.gz ZOYYHBIPETUCAG-STQMWFEESA-N 2 0 265.401 1.071 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N(C)[C@H]1CC[N@H+](CC)C1 ZINC001367043603 957351238 /nfs/dbraw/zinc/35/12/38/957351238.db2.gz HPFJOTJMLWVZCF-QWHCGFSZSA-N 2 0 273.396 1.219 10 0 CDAERP Cc1oncc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001424836970 957376801 /nfs/dbraw/zinc/37/68/01/957376801.db2.gz XNSFQYUCFAKTNJ-NWDGAFQWSA-N 2 0 296.415 1.308 10 0 CDAERP CC[C@H](C)C[NH2+][C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001317248088 957378491 /nfs/dbraw/zinc/37/84/91/957378491.db2.gz XZJMWKJLBDEGRC-STQMWFEESA-N 2 0 269.433 1.611 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CC1CCCC1 ZINC001317262962 957387741 /nfs/dbraw/zinc/38/77/41/957387741.db2.gz ALKSMRNRGOHICS-GFCCVEGCSA-N 2 0 255.406 1.223 10 0 CDAERP CC(C)=CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001317300810 957412231 /nfs/dbraw/zinc/41/22/31/957412231.db2.gz FDANDVUWSJSDLJ-AWEZNQCLSA-N 2 0 279.428 1.627 10 0 CDAERP C[N@H+](CCCCCF)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001317467318 957497016 /nfs/dbraw/zinc/49/70/16/957497016.db2.gz RSGQREWQCLGMSE-UHFFFAOYSA-N 2 0 285.407 1.270 10 0 CDAERP CC[C@H](F)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001425329995 957516075 /nfs/dbraw/zinc/51/60/75/957516075.db2.gz UOQGEJUPODNHDV-ZQDZILKHSA-N 2 0 299.434 1.370 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@H]2C[NH+](CCF)C[C@H]2C1 ZINC001425385927 957524468 /nfs/dbraw/zinc/52/44/68/957524468.db2.gz WOGXNZYAAGJBPG-RRFJBIMHSA-N 2 0 299.434 1.513 10 0 CDAERP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCCCF)[NH+](C)C ZINC001494673112 972285859 /nfs/dbraw/zinc/28/58/59/972285859.db2.gz QCQJMVMSCPUHQU-KKUMJFAQSA-N 2 0 299.434 1.752 10 0 CDAERP CO[C@H](C)C[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C(C)(C)C ZINC001426163984 957815542 /nfs/dbraw/zinc/81/55/42/957815542.db2.gz KUHUWGVQWDCESY-KGLIPLIRSA-N 2 0 299.459 1.238 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1cnc(C)o1 ZINC001367398872 957992298 /nfs/dbraw/zinc/99/22/98/957992298.db2.gz JMIANBYWFWBASF-LBPRGKRZSA-N 2 0 296.415 1.261 10 0 CDAERP CCCCCC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001318292626 958015042 /nfs/dbraw/zinc/01/50/42/958015042.db2.gz QWXIDEQIVBAXKB-HNNXBMFYSA-N 2 0 293.455 1.853 10 0 CDAERP CC[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CCCF ZINC001318567666 958176435 /nfs/dbraw/zinc/17/64/35/958176435.db2.gz INSYXVWAORHPBL-CYBMUJFWSA-N 2 0 273.396 1.172 10 0 CDAERP Cc1ccncc1C[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001367713604 958238500 /nfs/dbraw/zinc/23/85/00/958238500.db2.gz DOQAQHITPJLLMF-CQSZACIVSA-N 2 0 292.427 1.325 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1ccsc1)[NH+](C)C ZINC001367713387 958239453 /nfs/dbraw/zinc/23/94/53/958239453.db2.gz RUYSKLUVHOSAOJ-YPMHNXCESA-N 2 0 283.441 1.683 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CCC(CC[NH2+]CCCF)CC1 ZINC001318930427 958306724 /nfs/dbraw/zinc/30/67/24/958306724.db2.gz AJYBLAPPJDXFQS-UHFFFAOYSA-N 2 0 299.434 1.660 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001319168575 958409339 /nfs/dbraw/zinc/40/93/39/958409339.db2.gz VZCXWPQXHBTMJA-KBPBESRZSA-N 2 0 269.433 1.469 10 0 CDAERP C[C@@H](C[N@H+](C)CC1CCC1)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001367839400 958422488 /nfs/dbraw/zinc/42/24/88/958422488.db2.gz WPFQXDSLHYHMTD-KGLIPLIRSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+]2CC2CCCC2)C1 ZINC001367953041 958511169 /nfs/dbraw/zinc/51/11/69/958511169.db2.gz CEPSHRVMICIYEP-HOCLYGCPSA-N 2 0 293.455 1.709 10 0 CDAERP C[C@H](F)CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001368001216 958570506 /nfs/dbraw/zinc/57/05/06/958570506.db2.gz CXRKRQCABZGNDP-YNEHKIRRSA-N 2 0 285.407 1.313 10 0 CDAERP C[C@H](C[NH2+]CCC1CC1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001319525218 958609912 /nfs/dbraw/zinc/60/99/12/958609912.db2.gz MSSBLIJYBCVOIQ-CYBMUJFWSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H](C[NH2+]CC1CCCC1)N(C)C(=O)CC[NH+](C)C ZINC001319526605 958612169 /nfs/dbraw/zinc/61/21/69/958612169.db2.gz XUTFDRBCMNKKCN-ZDUSSCGKSA-N 2 0 269.433 1.565 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H]1C[NH2+]Cc1ccccn1 ZINC001368111696 958644770 /nfs/dbraw/zinc/64/47/70/958644770.db2.gz WTBYADCIGUREPU-HNNXBMFYSA-N 2 0 290.411 1.114 10 0 CDAERP CC(C)C[NH2+]C[C@]1(C)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001368197759 958694878 /nfs/dbraw/zinc/69/48/78/958694878.db2.gz PREOPXIHARMPLO-WBVHZDCISA-N 2 0 295.471 1.812 10 0 CDAERP CC[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]CCF ZINC001495001325 972370474 /nfs/dbraw/zinc/37/04/74/972370474.db2.gz STYSRHVAQOVUKM-CHWSQXEVSA-N 2 0 273.396 1.315 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N1CCCC[C@@H]1CC[NH2+]C[C@@H](C)O ZINC001319789830 958727179 /nfs/dbraw/zinc/72/71/79/958727179.db2.gz DLILHGJVCMSVQT-HUUCEWRRSA-N 2 0 299.459 1.068 10 0 CDAERP CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001319870739 958761185 /nfs/dbraw/zinc/76/11/85/958761185.db2.gz UKCHKSLGPLFWSD-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001368507725 958910584 /nfs/dbraw/zinc/91/05/84/958910584.db2.gz AVSLAGPPVWFUTA-CABCVRRESA-N 2 0 281.444 1.851 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CC[NH2+]CCCF)CC[N@@H+]1C ZINC001320421465 959158375 /nfs/dbraw/zinc/15/83/75/959158375.db2.gz KAAHOZYIJNZSJN-HZSPNIEDSA-N 2 0 287.423 1.561 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)CCCF ZINC001368942049 959305348 /nfs/dbraw/zinc/30/53/48/959305348.db2.gz RPRZSCOJTIXQJQ-JHJVBQTASA-N 2 0 273.396 1.123 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1cnc(C)s1)[NH+](C)C ZINC001371247656 972432070 /nfs/dbraw/zinc/43/20/70/972432070.db2.gz MUXDDLGEJQGCJO-GXFFZTMASA-N 2 0 298.456 1.386 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCC3CC3)C[C@H]21)[NH+](C)C ZINC001369152199 959489257 /nfs/dbraw/zinc/48/92/57/959489257.db2.gz DWVORMBKJDYEQH-LVQVYYBASA-N 2 0 293.455 1.421 10 0 CDAERP CC(C)[NH2+]C[C@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)C ZINC001369557590 959756662 /nfs/dbraw/zinc/75/66/62/959756662.db2.gz XJIWZKPGLNYRQG-ZDUSSCGKSA-N 2 0 271.449 1.856 10 0 CDAERP C[C@H](C[NH2+]C/C=C/Cl)NC(=O)CCc1nccn1C ZINC001321595061 959865140 /nfs/dbraw/zinc/86/51/40/959865140.db2.gz QRMOMQJFMPRYRL-ZXCPCRMDSA-N 2 0 284.791 1.200 10 0 CDAERP C[C@@H](C[NH2+]CC[C@@H]1CCCO1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001321955971 960030980 /nfs/dbraw/zinc/03/09/80/960030980.db2.gz KPUZMGFIXPDDKT-KKUMJFAQSA-N 2 0 297.443 1.134 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001370535247 960139482 /nfs/dbraw/zinc/13/94/82/960139482.db2.gz OYFNKURUMBWBOD-RBSFLKMASA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001371474229 972526037 /nfs/dbraw/zinc/52/60/37/972526037.db2.gz MCKJORSGKVGCHZ-GJZGRUSLSA-N 2 0 283.460 2.000 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)CC1 ZINC001434022144 960898946 /nfs/dbraw/zinc/89/89/46/960898946.db2.gz KMIUEWUWHDTDSN-HZPDHXFCSA-N 2 0 293.455 1.517 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC ZINC001323790562 960970916 /nfs/dbraw/zinc/97/09/16/960970916.db2.gz KXJFKVGGDJJQEF-OKILXGFUSA-N 2 0 267.417 1.413 10 0 CDAERP O=C(NCC[C@H]1CC[N@H+](CC2CC2)C1)C12CC[NH+](CC1)C2 ZINC001418913966 961154117 /nfs/dbraw/zinc/15/41/17/961154117.db2.gz MKOKEYHFGLVZIQ-HNNXBMFYSA-N 2 0 291.439 1.320 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC1CC1 ZINC001419668071 961945206 /nfs/dbraw/zinc/94/52/06/961945206.db2.gz PTKWVIIBYCGRDA-ZFWWWQNUSA-N 2 0 281.444 1.707 10 0 CDAERP CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001436332436 962191046 /nfs/dbraw/zinc/19/10/46/962191046.db2.gz ZINLMJIERHJVTF-CABCVRRESA-N 2 0 281.444 1.661 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+]Cc1cncc(F)c1 ZINC001419886417 962199306 /nfs/dbraw/zinc/19/93/06/962199306.db2.gz ZWLODQWJVPXUPJ-LBPRGKRZSA-N 2 0 296.390 1.157 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nocc2C)C1 ZINC001436972144 962533789 /nfs/dbraw/zinc/53/37/89/962533789.db2.gz BCPPSNMDBHBGJQ-BETUJISGSA-N 2 0 294.399 1.062 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001437053768 962582888 /nfs/dbraw/zinc/58/28/88/962582888.db2.gz XODCITOGTORLCI-HNNXBMFYSA-N 2 0 293.455 1.709 10 0 CDAERP C[NH+](C)CCC(=O)NC1CCC([NH2+]CC2CCC2)CC1 ZINC001437087479 962593216 /nfs/dbraw/zinc/59/32/16/962593216.db2.gz JURMCXIRZNXDJC-UHFFFAOYSA-N 2 0 281.444 1.755 10 0 CDAERP CC[N@H+](CCCF)CCNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001420458874 962930378 /nfs/dbraw/zinc/93/03/78/962930378.db2.gz XFVTWFPDNQLAJC-HNNXBMFYSA-N 2 0 285.407 1.270 10 0 CDAERP C[C@@H](C[N@H+](C)CC1CCC1)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001420604774 963113157 /nfs/dbraw/zinc/11/31/57/963113157.db2.gz AJAHPKMWABJTOL-DZKIICNBSA-N 2 0 295.471 1.953 10 0 CDAERP C[NH+](C)CCCC(=O)NC[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001437721944 963145328 /nfs/dbraw/zinc/14/53/28/963145328.db2.gz LTZDKXSMSZEJGE-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP CC[NH+](CC)CC[C@H](C)NC(=O)[C@H](C)CC[NH+](C)C ZINC001420733208 963211196 /nfs/dbraw/zinc/21/11/96/963211196.db2.gz NTTFHPLPGSKTJL-KGLIPLIRSA-N 2 0 271.449 1.811 10 0 CDAERP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC[C@H]1CCCO1 ZINC001438362185 963431452 /nfs/dbraw/zinc/43/14/52/963431452.db2.gz DQDFYTHIHKFEDG-LSDHHAIUSA-N 2 0 297.443 1.136 10 0 CDAERP CC(C)[NH2+]CC1(NC(=O)[C@H]2C[NH+]3CCC2CC3)CCCC1 ZINC001438384849 963437838 /nfs/dbraw/zinc/43/78/38/963437838.db2.gz AGOBANRIZVKSTB-HNNXBMFYSA-N 2 0 293.455 1.755 10 0 CDAERP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]Cc1ccccn1 ZINC001438558419 963484819 /nfs/dbraw/zinc/48/48/19/963484819.db2.gz UHUXCHUGUQKATM-AWEZNQCLSA-N 2 0 290.411 1.019 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@@H](C[NH2+]CC1CC1)C1CCCC1 ZINC001421174154 963485204 /nfs/dbraw/zinc/48/52/04/963485204.db2.gz YBSNUEAVAMVLFI-INIZCTEOSA-N 2 0 293.455 1.757 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N[C@]2(C)CC[NH+](CCC3CC3)C2)C1 ZINC001421217010 963503626 /nfs/dbraw/zinc/50/36/26/963503626.db2.gz FXSADMLUJAWDJP-WMLDXEAASA-N 2 0 293.455 1.709 10 0 CDAERP C[C@@H](C[NH2+]CC1CC(C)(C)C1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001438722347 963533068 /nfs/dbraw/zinc/53/30/68/963533068.db2.gz LYUVMHBRJFBPCN-ZFWWWQNUSA-N 2 0 295.471 1.811 10 0 CDAERP C[C@@H]([NH2+]CC1CCC1)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001438852910 963573431 /nfs/dbraw/zinc/57/34/31/963573431.db2.gz RQHGBFDAKVYOJR-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CC1CC1 ZINC001421426712 963602766 /nfs/dbraw/zinc/60/27/66/963602766.db2.gz SXWAHULWXAPZAV-HUUCEWRRSA-N 2 0 279.428 1.223 10 0 CDAERP CC(C)C[N@H+](C)C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001439346932 963732198 /nfs/dbraw/zinc/73/21/98/963732198.db2.gz ZKHPLVGHDJOFRN-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)CC[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001439645351 963829503 /nfs/dbraw/zinc/82/95/03/963829503.db2.gz KONMBIPOXPHSNN-CQSZACIVSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001439847062 963876688 /nfs/dbraw/zinc/87/66/88/963876688.db2.gz FUKOJMNQRSAMLJ-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001440305967 963979378 /nfs/dbraw/zinc/97/93/78/963979378.db2.gz PYBWFIYHVKBOHB-BARDWOONSA-N 2 0 299.434 1.561 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NC[C@H]([NH2+]CCC2CC2)C2CC2)C1 ZINC001441258409 964437575 /nfs/dbraw/zinc/43/75/75/964437575.db2.gz SKCACYIUTZZBIL-GJZGRUSLSA-N 2 0 279.428 1.223 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)Cn2ccnc2)C1 ZINC001441370094 964478767 /nfs/dbraw/zinc/47/87/67/964478767.db2.gz ZTNJOJIWMUJEEN-AVGNSLFASA-N 2 0 282.363 1.116 10 0 CDAERP CC[C@@H](F)C[NH2+][C@@H]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001441404138 964500399 /nfs/dbraw/zinc/50/03/99/964500399.db2.gz NFDKGLVYGNHCLM-LPWJVIDDSA-N 2 0 273.396 1.312 10 0 CDAERP CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CC1CCOCC1)[NH+](C)C ZINC001441544857 964584508 /nfs/dbraw/zinc/58/45/08/964584508.db2.gz XPZBNMDXFQIXMM-UKRRQHHQSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001441974701 964815362 /nfs/dbraw/zinc/81/53/62/964815362.db2.gz AQVLGLAWQWESLO-AWEZNQCLSA-N 2 0 299.459 1.238 10 0 CDAERP C[N@H+](CCNC(=O)C1CC[NH+](C)CC1)CCC(C)(C)C ZINC001442510932 965098232 /nfs/dbraw/zinc/09/82/32/965098232.db2.gz BFEXENNAXKWRBM-UHFFFAOYSA-N 2 0 283.460 1.812 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001442521644 965102399 /nfs/dbraw/zinc/10/23/99/965102399.db2.gz REIMPWHONYUNRP-QWHCGFSZSA-N 2 0 273.396 1.124 10 0 CDAERP CC(C)C[NH+]1CC(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001443614762 965535888 /nfs/dbraw/zinc/53/58/88/965535888.db2.gz DQDHYIMMFQNZMF-UHFFFAOYSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001444378313 965812467 /nfs/dbraw/zinc/81/24/67/965812467.db2.gz HSPZEGBKDRKVCC-ZIAGYGMSSA-N 2 0 283.460 1.716 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001446185814 966480243 /nfs/dbraw/zinc/48/02/43/966480243.db2.gz WVUVAIPGQLYFEB-KGLIPLIRSA-N 2 0 299.434 1.847 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C ZINC001447170698 966714605 /nfs/dbraw/zinc/71/46/05/966714605.db2.gz QEQCPHPVJMQCOW-ZNMIVQPWSA-N 2 0 299.434 1.752 10 0 CDAERP CCCN1CC2(C1)CC[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)O2 ZINC001447389111 966777041 /nfs/dbraw/zinc/77/70/41/966777041.db2.gz RIMDXJQREBMMHT-UONOGXRCSA-N 2 0 297.443 1.086 10 0 CDAERP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H](C)[NH2+]CC1CCC1 ZINC001447908150 966926103 /nfs/dbraw/zinc/92/61/03/966926103.db2.gz SISFPVRSVTYGKS-QWHCGFSZSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](C)CC[C@@H](C)F ZINC001448141954 967013421 /nfs/dbraw/zinc/01/34/21/967013421.db2.gz IHJGUNWGKGIZAU-CHWSQXEVSA-N 2 0 275.412 1.511 10 0 CDAERP CC(C)C[NH+]1CC([C@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001448342730 967079120 /nfs/dbraw/zinc/07/91/20/967079120.db2.gz OLPJTVIJDIVUFJ-UONOGXRCSA-N 2 0 281.444 1.421 10 0 CDAERP CCCCC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001480117230 967093289 /nfs/dbraw/zinc/09/32/89/967093289.db2.gz IQLUFDSSGSBLPT-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)CC[NH+](C)C)C1 ZINC001544112721 967339227 /nfs/dbraw/zinc/33/92/27/967339227.db2.gz MSIMBRNMLDINPY-KBPBESRZSA-N 2 0 269.433 1.421 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@H](O)c2ccc(F)cn2)C1 ZINC000848676130 969232282 /nfs/dbraw/zinc/23/22/82/969232282.db2.gz ITQVRYIVWQAAGJ-SUHUHFCYSA-N 2 0 267.348 1.184 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@@H](O)c2cccc(F)c2)C1 ZINC000848676361 969232649 /nfs/dbraw/zinc/23/26/49/969232649.db2.gz LPQVGMAFHYFFMM-BYCMXARLSA-N 2 0 266.360 1.789 10 0 CDAERP C[C@@H]1CCCC[N@H+]1CCCNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000848982356 969379065 /nfs/dbraw/zinc/37/90/65/969379065.db2.gz LSZXGKMRAVNADH-KGLIPLIRSA-N 2 0 282.432 1.496 10 0 CDAERP C[C@@H](CNC(=[NH2+])NC[C@@H]1CCCO1)[NH+]1CCCCC1 ZINC000848995636 969388462 /nfs/dbraw/zinc/38/84/62/969388462.db2.gz XRNYHXIIXOSUTM-STQMWFEESA-N 2 0 268.405 1.154 10 0 CDAERP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+](C(C)C)C1 ZINC001467816562 970105861 /nfs/dbraw/zinc/10/58/61/970105861.db2.gz PTCJRPMWDJMNSN-CABCVRRESA-N 2 0 283.460 1.952 10 0 CDAERP C[C@H](CNC(=O)C12CCC[NH+]1CCC2)C[NH2+]C/C=C\Cl ZINC001495696310 972597863 /nfs/dbraw/zinc/59/78/63/972597863.db2.gz LSWWMGFCJMJECB-IRBQFCFKSA-N 2 0 299.846 1.709 10 0 CDAERP CC[C@H](F)C[NH2+][C@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001371870376 972662076 /nfs/dbraw/zinc/66/20/76/972662076.db2.gz RKUATFNMNYOVQO-OLZOCXBDSA-N 2 0 285.407 1.315 10 0 CDAERP C[C@@H](C[NH2+]C/C=C\Cl)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001496083103 972789503 /nfs/dbraw/zinc/78/95/03/972789503.db2.gz UVZUIHDNMVHLEB-PWWFUAJNSA-N 2 0 287.835 1.660 10 0 CDAERP CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001496294125 972876970 /nfs/dbraw/zinc/87/69/70/972876970.db2.gz GLRLLDLITXEJFI-OLZOCXBDSA-N 2 0 255.406 1.079 10 0 CDAERP CC(C)[NH2+][C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001496563150 972973646 /nfs/dbraw/zinc/97/36/46/972973646.db2.gz XVSQUOXAYVTNNC-GJZGRUSLSA-N 2 0 281.444 1.467 10 0 CDAERP CC(C)=CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001496729256 973069523 /nfs/dbraw/zinc/06/95/23/973069523.db2.gz GDLRMGCJBUWIET-HNNXBMFYSA-N 2 0 281.444 1.827 10 0 CDAERP CC(C)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001497187892 973237401 /nfs/dbraw/zinc/23/74/01/973237401.db2.gz GARCVBHQNVTTDO-HIFRSBDPSA-N 2 0 281.444 1.469 10 0 CDAERP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H](C)CC[NH+](C)C ZINC001417683285 973279424 /nfs/dbraw/zinc/27/94/24/973279424.db2.gz JMQPAXHNWDRKAG-UONOGXRCSA-N 2 0 283.460 1.763 10 0 CDAERP C[C@H](CC(=O)N[C@@H]1CCC[N@H+](CCCF)C1)n1ccnc1 ZINC001373383277 973405812 /nfs/dbraw/zinc/40/58/12/973405812.db2.gz XWPXNBVRLHRXEW-ZIAGYGMSSA-N 2 0 296.390 1.774 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC1CC1 ZINC001497762355 973490869 /nfs/dbraw/zinc/49/08/69/973490869.db2.gz HCLHUANANLTYRK-MBVDDHJVSA-N 2 0 279.428 1.533 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]([NH2+]CC1CC1)C1CC1 ZINC001417985922 973514029 /nfs/dbraw/zinc/51/40/29/973514029.db2.gz LHMSQVYYIZGOOE-HOTGVXAUSA-N 2 0 293.455 1.755 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]C/C=C/Cl)C1CC1 ZINC001417987212 973515602 /nfs/dbraw/zinc/51/56/02/973515602.db2.gz XDBRUNGRDJGQMB-JFILWDKHSA-N 2 0 299.846 1.708 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001418078631 973570082 /nfs/dbraw/zinc/57/00/82/973570082.db2.gz XAAPCHFKAIBKRQ-ZQDZILKHSA-N 2 0 299.434 1.846 10 0 CDAERP C[N@H+](CC(=O)N[C@H]1C[C@@H]([NH2+]C/C=C/Cl)C1)C1CCC1 ZINC001418094234 973581285 /nfs/dbraw/zinc/58/12/85/973581285.db2.gz KKVAQOYWYPUQLF-FCVNMTFCSA-N 2 0 285.819 1.460 10 0 CDAERP CC[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001497992614 973603684 /nfs/dbraw/zinc/60/36/84/973603684.db2.gz GZUYGNYFJRWAJE-ZIAGYGMSSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@@H](C[NH2+]CCF)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001498062456 973656089 /nfs/dbraw/zinc/65/60/89/973656089.db2.gz JDWBIDHLTRCCAB-LBPRGKRZSA-N 2 0 287.423 1.703 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)[NH2+]CCF)C1 ZINC001418262733 973707235 /nfs/dbraw/zinc/70/72/35/973707235.db2.gz BQKPBVLRCPBEFQ-STQMWFEESA-N 2 0 273.396 1.172 10 0 CDAERP C[C@H](C(=O)NC[C@H](C)[NH2+]CCF)[NH+]1CCCCCC1 ZINC001418283178 973726603 /nfs/dbraw/zinc/72/66/03/973726603.db2.gz VTIOPNBLIRBNRZ-QWHCGFSZSA-N 2 0 273.396 1.315 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001418347513 973759157 /nfs/dbraw/zinc/75/91/57/973759157.db2.gz XQNLTKFZRCYGCL-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]C(C)C)C1)[NH+](CC)CC ZINC001418363814 973767581 /nfs/dbraw/zinc/76/75/81/973767581.db2.gz VMVOIYTWPNERJY-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]C[C@H](C)O ZINC001498621130 974001199 /nfs/dbraw/zinc/00/11/99/974001199.db2.gz KVFXFGZMKBCLCB-LSDHHAIUSA-N 2 0 299.459 1.068 10 0 CDAERP CC(C)CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001498736172 974041066 /nfs/dbraw/zinc/04/10/66/974041066.db2.gz NTYBAYAFEFHUFV-GJZGRUSLSA-N 2 0 281.444 1.611 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(CC)CC[NH2+][C@@H](C)COC)CC[N@@H+]1C ZINC001374714976 974078135 /nfs/dbraw/zinc/07/81/35/974078135.db2.gz XYTCQUFBGVGOTQ-SOUVJXGZSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@H](CN(C)C/C=C\Cl)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001375036452 974236241 /nfs/dbraw/zinc/23/62/41/974236241.db2.gz INVARBWEDDYIJM-WLFHHNNMSA-N 2 0 299.846 1.517 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CCC[C@@H]1C[NH2+]CCF ZINC001499945460 974341108 /nfs/dbraw/zinc/34/11/08/974341108.db2.gz WKWXYLHPUCXJAS-CYBMUJFWSA-N 2 0 273.396 1.268 10 0 CDAERP COC[C@H](C)[NH+]1CCC(C)(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001500013316 974354382 /nfs/dbraw/zinc/35/43/82/974354382.db2.gz UQRWFIPMXXDXFH-AWEZNQCLSA-N 2 0 299.459 1.332 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]C[C@@H](F)CC)CC1 ZINC001375425291 974378841 /nfs/dbraw/zinc/37/88/41/974378841.db2.gz OBTZZMSDPUIAJF-UONOGXRCSA-N 2 0 299.434 1.847 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[NH+](CCCF)C1 ZINC001500481327 974442445 /nfs/dbraw/zinc/44/24/45/974442445.db2.gz BKDWDPODGFLHNM-HOCLYGCPSA-N 2 0 299.434 1.659 10 0 CDAERP CC[C@H](C(=O)NCC1([NH2+]CC=C(C)C)CCC1)[NH+](C)C ZINC001501968575 974665759 /nfs/dbraw/zinc/66/57/59/974665759.db2.gz QNTLSJDMVNAMPU-CQSZACIVSA-N 2 0 281.444 1.921 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001376608341 974695306 /nfs/dbraw/zinc/69/53/06/974695306.db2.gz YYFQPDDZDKEMLW-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCC(F)(F)F ZINC001377104816 974883399 /nfs/dbraw/zinc/88/33/99/974883399.db2.gz HRVXTZHWMPDQQV-MNOVXSKESA-N 2 0 295.349 1.375 10 0 CDAERP C[N@H+](CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)CC1CC1 ZINC001377221245 974932469 /nfs/dbraw/zinc/93/24/69/974932469.db2.gz GCNLWWVMMWICJP-INIZCTEOSA-N 2 0 299.434 1.657 10 0 CDAERP C[C@@H]([NH2+]CC1CCC1)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001505733498 974976467 /nfs/dbraw/zinc/97/64/67/974976467.db2.gz UFVMEDYVGMLKHI-OLZOCXBDSA-N 2 0 279.428 1.365 10 0 CDAERP CC[N@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)CC1CCCC1 ZINC001377334425 974979313 /nfs/dbraw/zinc/97/93/13/974979313.db2.gz DVIXADXCVGWGHK-HNNXBMFYSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)CC1CC1 ZINC001505921963 975044629 /nfs/dbraw/zinc/04/46/29/975044629.db2.gz CZHGZZNIVKICKG-OUCADQQQSA-N 2 0 267.417 1.173 10 0 CDAERP Cc1csc(C[NH2+][C@@H](C)CCNC(=O)CC[NH+](C)C)n1 ZINC001377483499 975047317 /nfs/dbraw/zinc/04/73/17/975047317.db2.gz DARVVWPQDYMWIW-NSHDSACASA-N 2 0 298.456 1.388 10 0 CDAERP C[N@H+](CCCF)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001377773460 975136550 /nfs/dbraw/zinc/13/65/50/975136550.db2.gz WQHJZKFTPKMFHY-KGLIPLIRSA-N 2 0 285.407 1.078 10 0 CDAERP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001377843332 975152594 /nfs/dbraw/zinc/15/25/94/975152594.db2.gz AWDZACQAVCUJPX-STQMWFEESA-N 2 0 283.460 1.857 10 0 CDAERP CC(C)[N@@H+]1C[C@H](NC(=O)CCc2nccn2C)C(C)(C)C1 ZINC001506744856 975213995 /nfs/dbraw/zinc/21/39/95/975213995.db2.gz RDVZMRQQQWXALD-ZDUSSCGKSA-N 2 0 292.427 1.588 10 0 CDAERP CCC(CC)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001378233264 975300772 /nfs/dbraw/zinc/30/07/72/975300772.db2.gz OLOJVTSYFMTOJN-GJZGRUSLSA-N 2 0 299.459 1.238 10 0 CDAERP CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001507113058 975340733 /nfs/dbraw/zinc/34/07/33/975340733.db2.gz MQVLUXLCQHSETP-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C1C[NH+](CCC2CC2)C1 ZINC001378584868 975404862 /nfs/dbraw/zinc/40/48/62/975404862.db2.gz JRIMOCZEXLOXOU-ZDUSSCGKSA-N 2 0 281.444 1.563 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+]Cc1cncc(F)c1 ZINC001378605199 975414419 /nfs/dbraw/zinc/41/44/19/975414419.db2.gz WSMPKFDLPWDOQH-LBPRGKRZSA-N 2 0 296.390 1.014 10 0 CDAERP CN(C[C@H]1CC[N@@H+]1CCC1CC1)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001397038034 975443955 /nfs/dbraw/zinc/44/39/55/975443955.db2.gz DTOYIFAKLOJFAD-JKSUJKDBSA-N 2 0 293.455 1.661 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]CC1CC(C)(C)C1 ZINC001401108871 975467722 /nfs/dbraw/zinc/46/77/22/975467722.db2.gz XSXPCHIPHDMVSE-UKRRQHHQSA-N 2 0 295.471 1.859 10 0 CDAERP CC[N@@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)N(C)C)[C@H]1C ZINC001397252882 975515307 /nfs/dbraw/zinc/51/53/07/975515307.db2.gz BBGUEFIKOKKJBL-VNQPRFMTSA-N 2 0 289.423 1.888 10 0 CDAERP CN(C[C@@H]1CC[N@@H+]1CC1CC1)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001388653749 975537839 /nfs/dbraw/zinc/53/78/39/975537839.db2.gz RRXPUOSMEDMALF-GJZGRUSLSA-N 2 0 279.428 1.271 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1CCCF ZINC001388663513 975540024 /nfs/dbraw/zinc/54/00/24/975540024.db2.gz BBEVRZNBHXWUPZ-CYBMUJFWSA-N 2 0 273.396 1.219 10 0 CDAERP CC[C@@H](C(=O)N(CC[N@H+](C)C(C)C)C(C)C)[NH+](C)C ZINC001507834720 975548397 /nfs/dbraw/zinc/54/83/97/975548397.db2.gz YCPRRJMTHAMGGD-AWEZNQCLSA-N 2 0 271.449 1.904 10 0 CDAERP CC(C)[NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001388729601 975570635 /nfs/dbraw/zinc/57/06/35/975570635.db2.gz WKHPXHAEIXHUAH-HDJSIYSDSA-N 2 0 281.444 1.754 10 0 CDAERP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC1CCC1 ZINC001378973716 975571225 /nfs/dbraw/zinc/57/12/25/975571225.db2.gz WPOSWNNQNWSSPS-BMFZPTHFSA-N 2 0 295.471 1.857 10 0 CDAERP CC[C@@H](C[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CCCC1)OC ZINC001397552285 975625596 /nfs/dbraw/zinc/62/55/96/975625596.db2.gz HQKTUHOREXRNQN-GJZGRUSLSA-N 2 0 297.443 1.040 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001379139906 975685376 /nfs/dbraw/zinc/68/53/76/975685376.db2.gz XPUSHOLAYYDQGG-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC1CC1 ZINC001379166493 975697923 /nfs/dbraw/zinc/69/79/23/975697923.db2.gz HCSBLJQECQAVEM-HUUCEWRRSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@H](F)CC[NH2+][C@@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001379228307 975724177 /nfs/dbraw/zinc/72/41/77/975724177.db2.gz SPPVWBJOMDDCHL-STQMWFEESA-N 2 0 287.423 1.513 10 0 CDAERP C[C@H](C[NH2+]Cc1ccc(F)cc1F)NC(=O)CC[NH+](C)C ZINC001401640240 975755738 /nfs/dbraw/zinc/75/57/38/975755738.db2.gz QGAGSTNWDKXJNM-LLVKDONJSA-N 2 0 299.365 1.511 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001401703827 975816667 /nfs/dbraw/zinc/81/66/67/975816667.db2.gz CXOIPILSPLNEKH-JSGCOSHPSA-N 2 0 287.423 1.561 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001389455920 975841268 /nfs/dbraw/zinc/84/12/68/975841268.db2.gz FQUMEMIRAUGAQV-OLZOCXBDSA-N 2 0 285.407 1.409 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1CCN(Cc2ccsc2)C1)[NH+](C)C ZINC001389502352 975874658 /nfs/dbraw/zinc/87/46/58/975874658.db2.gz FGZFBGNCYAWIHS-KBPBESRZSA-N 2 0 295.452 1.779 10 0 CDAERP Cc1ncc(C[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)[C@H]2C)o1 ZINC001379550731 975919676 /nfs/dbraw/zinc/91/96/76/975919676.db2.gz JKUNRDMSNFJPCJ-SMDDNHRTSA-N 2 0 294.399 1.014 10 0 CDAERP O=C(NC[C@H]([NH2+]CC1CC1)C1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001389608561 975929131 /nfs/dbraw/zinc/92/91/31/975929131.db2.gz JJOMGZAVMICRMT-CVEARBPZSA-N 2 0 291.439 1.223 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001398343235 975949097 /nfs/dbraw/zinc/94/90/97/975949097.db2.gz PJLHUCAPERLFIG-JKSUJKDBSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)[NH2+][C@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)C(C)C ZINC001406066877 975993322 /nfs/dbraw/zinc/99/33/22/975993322.db2.gz IHSWAFKBQZMODJ-LSDHHAIUSA-N 2 0 299.459 1.094 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001389843257 976014630 /nfs/dbraw/zinc/01/46/30/976014630.db2.gz FOZCUJNSYIKOMU-TUUVXOQKSA-N 2 0 293.455 1.611 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH]cn2)C1 ZINC001389849886 976017982 /nfs/dbraw/zinc/01/79/82/976017982.db2.gz COMXYFDGPUHXSP-DRZSPHRISA-N 2 0 282.363 1.327 10 0 CDAERP Cc1ncc(C[NH2+][C@H]2C[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)o1 ZINC001398568574 976047851 /nfs/dbraw/zinc/04/78/51/976047851.db2.gz DHRNZZUJJSVSMS-JOCQHMNTSA-N 2 0 294.399 1.060 10 0 CDAERP C[C@@H](C(=O)NC[C@H]1CC[N@@H+]1CC1CC1)[NH+]1CCCCCC1 ZINC001380018495 976190349 /nfs/dbraw/zinc/19/03/49/976190349.db2.gz XGNLHWZIGAHNOR-GOEBONIOSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@@H](C[NH2+]Cc1cc(C2CC2)no1)NC(=O)CC[NH+](C)C ZINC001406509027 976227490 /nfs/dbraw/zinc/22/74/90/976227490.db2.gz CBFJPCCNDBVFFX-NSHDSACASA-N 2 0 294.399 1.098 10 0 CDAERP C[C@@H](F)CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001380068922 976228515 /nfs/dbraw/zinc/22/85/15/976228515.db2.gz VYTDKHQFAQWKCK-NEPJUHHUSA-N 2 0 271.380 1.067 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001402403457 976269020 /nfs/dbraw/zinc/26/90/20/976269020.db2.gz CXZXVGFECMBOLJ-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CC[C@H](C)F ZINC001399010088 976285227 /nfs/dbraw/zinc/28/52/27/976285227.db2.gz BOULBLYMEWNYLN-NWDGAFQWSA-N 2 0 273.396 1.171 10 0 CDAERP CC(C)C[C@@H](C)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001402444392 976287940 /nfs/dbraw/zinc/28/79/40/976287940.db2.gz LAXDAWHXUMCLAT-CABCVRRESA-N 2 0 283.460 1.811 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001399186357 976376767 /nfs/dbraw/zinc/37/67/67/976376767.db2.gz KCSDDHIZQGFCOF-OLZOCXBDSA-N 2 0 285.407 1.267 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001390592720 976380053 /nfs/dbraw/zinc/38/00/53/976380053.db2.gz NGEPNJGQAUIKJO-AWEZNQCLSA-N 2 0 295.471 1.812 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CC2CC2)CC1 ZINC001402624067 976404129 /nfs/dbraw/zinc/40/41/29/976404129.db2.gz YLAOXUVXJQYSDV-HNNXBMFYSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[C@H]([NH2+]CCF)C1 ZINC001399284767 976411755 /nfs/dbraw/zinc/41/17/55/976411755.db2.gz VZZYTGPKMFPPEJ-STQMWFEESA-N 2 0 273.396 1.313 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]CCF)C1 ZINC001399284765 976412166 /nfs/dbraw/zinc/41/21/66/976412166.db2.gz VZZYTGPKMFPPEJ-QWHCGFSZSA-N 2 0 273.396 1.313 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](C[C@@H](F)CC)C[C@@H]2C1 ZINC001380703644 976520695 /nfs/dbraw/zinc/52/06/95/976520695.db2.gz KZSBZBWYJLBQOR-ZNMIVQPWSA-N 2 0 299.434 1.467 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]CC3CCCC3)CCC2)C1 ZINC001380897522 976597651 /nfs/dbraw/zinc/59/76/51/976597651.db2.gz PNRLCMPMKUBYPC-HNNXBMFYSA-N 2 0 293.455 1.757 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CCC[N@H+](CCCF)CC1)[NH+](C)C ZINC001380928673 976609434 /nfs/dbraw/zinc/60/94/34/976609434.db2.gz GFGAKQIAGIAXSO-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP O=C(CCC[NH+]1CCCC1)NC1CC(C[NH2+]CC2CC2)C1 ZINC001402958630 976619639 /nfs/dbraw/zinc/61/96/39/976619639.db2.gz YYWDGECJHNSTOQ-UHFFFAOYSA-N 2 0 293.455 1.757 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)CC1CC1 ZINC001390978303 976632439 /nfs/dbraw/zinc/63/24/39/976632439.db2.gz GWULQWCQYLKZBD-JKSUJKDBSA-N 2 0 293.455 1.851 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001391095444 976688515 /nfs/dbraw/zinc/68/85/15/976688515.db2.gz TVJJRNZOFGMCEM-HNNXBMFYSA-N 2 0 283.460 1.812 10 0 CDAERP C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CCF ZINC001381210767 976720371 /nfs/dbraw/zinc/72/03/71/976720371.db2.gz ODKUDSUEQUKPTF-AVGNSLFASA-N 2 0 273.396 1.171 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]CCC(C)(C)C ZINC001381421828 976817884 /nfs/dbraw/zinc/81/78/84/976817884.db2.gz PRSHEWHOCYIMPS-QWHCGFSZSA-N 2 0 271.449 1.857 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]([NH+](C)CCF)C1 ZINC001403329461 976884045 /nfs/dbraw/zinc/88/40/45/976884045.db2.gz UHKQBENUIWFMHD-ZDUSSCGKSA-N 2 0 273.396 1.219 10 0 CDAERP C[N@H+](CCF)C[C@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001400228943 976939592 /nfs/dbraw/zinc/93/95/92/976939592.db2.gz NPBVAWNJWGIXIP-ZIAGYGMSSA-N 2 0 285.407 1.078 10 0 CDAERP CC(C)[NH2+][C@H](CCNC(=O)C1([NH+](C)C)CCC1)C(C)C ZINC001403493832 976991203 /nfs/dbraw/zinc/99/12/03/976991203.db2.gz MYFPBMKPMZFDAL-CQSZACIVSA-N 2 0 283.460 2.000 10 0 CDAERP CC(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)C(C)C ZINC001408350505 977022172 /nfs/dbraw/zinc/02/21/72/977022172.db2.gz BCMNQTADPPSXOF-HNNXBMFYSA-N 2 0 283.460 1.905 10 0 CDAERP CC(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001381925534 977083510 /nfs/dbraw/zinc/08/35/10/977083510.db2.gz IJMHHANDJBBKEQ-QKDCVEJESA-N 2 0 281.444 1.277 10 0 CDAERP C[N@H+](CCNC(=O)C1CC[NH+](C)CC1)CC1CCCC1 ZINC001403665586 977134407 /nfs/dbraw/zinc/13/44/07/977134407.db2.gz XSHROUIACDNOKQ-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@@H](C)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001392072584 977210437 /nfs/dbraw/zinc/21/04/37/977210437.db2.gz LQOLRWOMQOIZMS-ZIAGYGMSSA-N 2 0 283.460 1.953 10 0 CDAERP CC[NH2+]CC1(NC(=O)CC[C@@H]2CCC[N@@H+]2C)CCCC1 ZINC001400913575 977241949 /nfs/dbraw/zinc/24/19/49/977241949.db2.gz IVUGZBJRSPGBAV-AWEZNQCLSA-N 2 0 281.444 1.899 10 0 CDAERP Cc1ccccc1C[N@@H+](C)CCN(C)C(=O)CC[NH+](C)C ZINC001392303817 977396782 /nfs/dbraw/zinc/39/67/82/977396782.db2.gz OMBMZUFHKVSUPF-UHFFFAOYSA-N 2 0 291.439 1.837 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]CC1CCCC1)[NH+](C)C ZINC001392610487 977503364 /nfs/dbraw/zinc/50/33/64/977503364.db2.gz PHHHRGTYBHMUJO-ZFWWWQNUSA-N 2 0 283.460 1.857 10 0 CDAERP C[C@H]([NH2+]C1(CNC(=O)Cc2ncc[nH]2)CC1)c1ccccc1 ZINC001392939602 977657461 /nfs/dbraw/zinc/65/74/61/977657461.db2.gz FMIUBTJKRXASID-ZDUSSCGKSA-N 2 0 298.390 1.952 10 0 CDAERP CC[C@@H](C(=O)N[C@@]1(C)CC[N@H+](CCC(C)C)C1)[NH+](C)C ZINC001393111167 977705714 /nfs/dbraw/zinc/70/57/14/977705714.db2.gz HQERXVZECSBMKC-HOCLYGCPSA-N 2 0 283.460 1.953 10 0 CDAERP Cc1cccnc1C[NH2+][C@@H](C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001393977782 977992712 /nfs/dbraw/zinc/99/27/12/977992712.db2.gz SOQCIAXIHBFPAC-KBPBESRZSA-N 2 0 292.427 1.325 10 0 CDAERP CCC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001394195087 978100947 /nfs/dbraw/zinc/10/09/47/978100947.db2.gz WTDKQGDKMACEQP-CABCVRRESA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)CC[N@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001394400770 978151820 /nfs/dbraw/zinc/15/18/20/978151820.db2.gz SRJGLJRXVSTHMZ-HNNXBMFYSA-N 2 0 295.471 1.907 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@]12CCC[C@@H]1[NH+](CCCF)CC2 ZINC001394683419 978230677 /nfs/dbraw/zinc/23/06/77/978230677.db2.gz FVCHQCNDIATNAE-GOEBONIOSA-N 2 0 299.434 1.799 10 0 CDAERP CC(C)[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]21 ZINC001394691649 978232871 /nfs/dbraw/zinc/23/28/71/978232871.db2.gz RKPFVKLEUSIROV-ARFHVFGLSA-N 2 0 295.471 1.952 10 0 CDAERP CC[NH+]1CCC([C@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001394848123 978282899 /nfs/dbraw/zinc/28/28/99/978282899.db2.gz MZQCZKHJGFJINM-UONOGXRCSA-N 2 0 281.444 1.565 10 0 CDAERP CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001569986642 1170054105 /nfs/dbraw/zinc/05/41/05/1170054105.db2.gz KDTXHCMERRGCBC-KBPBESRZSA-N 2 0 267.417 1.319 10 0 CDAERP CCC[NH2+][C@@H](C)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001570636493 1170218502 /nfs/dbraw/zinc/21/85/02/1170218502.db2.gz JOCQAPRXRQFWFA-STQMWFEESA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)C[N@H+](C)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001570753021 1170271716 /nfs/dbraw/zinc/27/17/16/1170271716.db2.gz AQXRSFDIXGLCLV-CYBMUJFWSA-N 2 0 257.422 1.419 10 0 CDAERP C[C@@H](CCC[NH2+]CCC1CC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001571324940 1170366044 /nfs/dbraw/zinc/36/60/44/1170366044.db2.gz QQFJQMFVUXEUBO-DZGCQCFKSA-N 2 0 281.444 1.613 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001656222277 1171794466 /nfs/dbraw/zinc/79/44/66/1171794466.db2.gz JIQODHMCNJXFIU-JOCQHMNTSA-N 2 0 255.406 1.223 10 0 CDAERP O=c1ccccn1CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000586843476 342472490 /nfs/dbraw/zinc/47/24/90/342472490.db2.gz JBVFFNHJKVZHHY-UHFFFAOYSA-N 2 0 289.423 1.656 10 0 CDAERP COC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000600176041 341983106 /nfs/dbraw/zinc/98/31/06/341983106.db2.gz SUDLIELOUSCEEU-UTUOFQBUSA-N 2 0 254.374 1.400 10 0 CDAERP CCCC[NH2+]C[C@H](O)CO[C@@H]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000675080170 539085877 /nfs/dbraw/zinc/08/58/77/539085877.db2.gz NWFHEMCJBLDGAS-LXTVHRRPSA-N 2 0 270.417 1.284 10 0 CDAERP CCN(C(C)=O)c1nc(C[NH2+]CCC2(C[NH3+])CC2)cs1 ZINC000650712570 398155964 /nfs/dbraw/zinc/15/59/64/398155964.db2.gz KUVMHNJHZNTYIP-UHFFFAOYSA-N 2 0 296.440 1.735 10 0 CDAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000650743599 398171603 /nfs/dbraw/zinc/17/16/03/398171603.db2.gz XGXSOROSDRPTPI-NDBYEHHHSA-N 2 0 253.390 1.151 10 0 CDAERP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000650755358 398179964 /nfs/dbraw/zinc/17/99/64/398179964.db2.gz CPBISOBXNBKGRU-UHOFOFEASA-N 3 0 277.412 1.248 10 0 CDAERP CC[N@H+](CC(=O)N[C@H](C[NH+](C)C)c1ccccc1)C1CC1 ZINC000135921413 361772383 /nfs/dbraw/zinc/77/23/83/361772383.db2.gz GSYJVIOCULTBDV-MRXNPFEDSA-N 2 0 289.423 1.890 10 0 CDAERP Cc1ccc(O)c(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)n1 ZINC000274421921 365660817 /nfs/dbraw/zinc/66/08/17/365660817.db2.gz HOIJBWLBZRAFGP-CYBMUJFWSA-N 2 0 292.427 1.211 10 0 CDAERP [NH3+]CCN1CCC[C@@H](c2cnnc3ccccc32)C1 ZINC000616621706 342119525 /nfs/dbraw/zinc/11/95/25/342119525.db2.gz WFISYXVRRRGSPF-GFCCVEGCSA-N 2 0 256.353 1.768 10 0 CDAERP c1ccc(C[N@H+]2CC=C([C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000409430181 342168583 /nfs/dbraw/zinc/16/85/83/342168583.db2.gz FTVWQLHKWQFBQT-MRXNPFEDSA-N 2 0 258.365 1.807 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000629392057 361907654 /nfs/dbraw/zinc/90/76/54/361907654.db2.gz IKRVQNRONKYNMZ-LBPRGKRZSA-N 2 0 254.349 1.582 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1cccc(Br)c1 ZINC000629397899 361928577 /nfs/dbraw/zinc/92/85/77/361928577.db2.gz GGSYVUKKSVHGJW-UHFFFAOYSA-N 2 0 287.201 1.904 10 0 CDAERP Cc1cccn2c(C[NH2+]CCOCCC[NH3+])cnc12 ZINC000629399482 361935160 /nfs/dbraw/zinc/93/51/60/361935160.db2.gz HQIKIZZFBVWVRZ-UHFFFAOYSA-N 2 0 262.357 1.098 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)Cc1ccccc1C ZINC000629404899 361946314 /nfs/dbraw/zinc/94/63/14/361946314.db2.gz SSKIQDVRUAKUMP-CQSZACIVSA-N 2 0 250.386 1.752 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)NCC[NH+]1CCCC[C@H]1C ZINC000339784415 361966118 /nfs/dbraw/zinc/96/61/18/361966118.db2.gz FXNUYMOGQWORPJ-LSDHHAIUSA-N 2 0 298.475 1.890 10 0 CDAERP [NH3+]CC1(CCNC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000652232427 539038731 /nfs/dbraw/zinc/03/87/31/539038731.db2.gz ZXXAYZUDPRZJNN-AWEZNQCLSA-N 2 0 294.443 1.289 10 0 CDAERP COc1ccccc1N1CCC([NH2+]CCC[NH3+])CC1 ZINC000415075497 539091810 /nfs/dbraw/zinc/09/18/10/539091810.db2.gz BLXLKBVBRQJHMY-UHFFFAOYSA-N 2 0 263.385 1.602 10 0 CDAERP COC(=O)c1coc([C@H](C)[NH2+]CCOCCC[NH3+])c1 ZINC000600710675 342243665 /nfs/dbraw/zinc/24/36/65/342243665.db2.gz QEEJEIDTKYXXII-JTQLQIEISA-N 2 0 270.329 1.082 10 0 CDAERP NC(=O)C1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000156007440 539098422 /nfs/dbraw/zinc/09/84/22/539098422.db2.gz OUNOUJZMZLXQOI-PQAZSJQKSA-N 2 0 265.401 1.247 10 0 CDAERP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H]1[C@@H](C)O[C@@H](C)[C@@H]1C ZINC000625976267 342284297 /nfs/dbraw/zinc/28/42/97/342284297.db2.gz YKIVBDSGBPONIH-PDWCTOEPSA-N 2 0 258.406 1.089 10 0 CDAERP C[C@H](CSCCF)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000595010027 342990220 /nfs/dbraw/zinc/99/02/20/342990220.db2.gz FLNFYMMVZLQIFW-CHWSQXEVSA-N 2 0 277.453 1.303 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000594945046 342980242 /nfs/dbraw/zinc/98/02/42/342980242.db2.gz LRGSMEMUITVUMK-MGPQQGTHSA-N 2 0 282.428 1.896 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000594925346 342988809 /nfs/dbraw/zinc/98/88/09/342988809.db2.gz RUXYETFVVKQNCU-YVECIDJPSA-N 2 0 254.374 1.115 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000594925345 342988978 /nfs/dbraw/zinc/98/89/78/342988978.db2.gz RUXYETFVVKQNCU-WUHRBBMRSA-N 2 0 254.374 1.115 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000234790637 536850430 /nfs/dbraw/zinc/85/04/30/536850430.db2.gz ZYPOBAQYCUABPC-KBPBESRZSA-N 3 0 257.422 1.062 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCC[NH2+]CC1 ZINC000082241797 342375198 /nfs/dbraw/zinc/37/51/98/342375198.db2.gz DVWGXNFIWKXOCJ-ZDUSSCGKSA-N 2 0 253.390 1.073 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000629530207 362159192 /nfs/dbraw/zinc/15/91/92/362159192.db2.gz ZJNIGUSSRLWBGF-DOTOQJQBSA-N 2 0 292.423 1.980 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COC(C)C)C1 ZINC000572512029 362166575 /nfs/dbraw/zinc/16/65/75/362166575.db2.gz AWMALXZEWVBQGT-HZPDHXFCSA-N 2 0 286.460 1.730 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H]1CCCOc2ccc(OC)cc21 ZINC000629530040 362161625 /nfs/dbraw/zinc/16/16/25/362161625.db2.gz TXCQHMMSGDLCQT-OAHLLOKOSA-N 2 0 294.395 1.735 10 0 CDAERP CCC[C@H](C(=O)OCC)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000336812397 362212019 /nfs/dbraw/zinc/21/20/19/362212019.db2.gz AENFTKJRBMECTI-HIFRSBDPSA-N 2 0 268.401 1.746 10 0 CDAERP CCC(CC)[C@H](CNC(=O)CC[C@H](C)[NH3+])[NH+]1CCOCC1 ZINC000193294595 282274450 /nfs/dbraw/zinc/27/44/50/282274450.db2.gz YWOCHFZCMQBSHO-ZFWWWQNUSA-N 2 0 299.459 1.367 10 0 CDAERP CCNC(=O)C(C)(C)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623468986 347050069 /nfs/dbraw/zinc/05/00/69/347050069.db2.gz MESFDIUCRFDVFK-GFCCVEGCSA-N 2 0 269.433 1.611 10 0 CDAERP COC(=O)[C@@H]1CCCCN1CCCc1cncn1C ZINC000314393304 344913125 /nfs/dbraw/zinc/91/31/25/344913125.db2.gz SMPFXTREKNGDOM-ZDUSSCGKSA-N 2 0 265.357 1.380 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)CC1([NH3+])CCCCC1 ZINC000084185151 178819238 /nfs/dbraw/zinc/81/92/38/178819238.db2.gz LLUQTLIZMPXWFG-GFCCVEGCSA-N 2 0 255.406 1.495 10 0 CDAERP CCC[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000608647596 345804397 /nfs/dbraw/zinc/80/43/97/345804397.db2.gz FFEWUDOXPPCBOB-CQSZACIVSA-N 2 0 282.432 1.254 10 0 CDAERP CCN(C(=O)[C@H](C)[NH2+]C(C)(C)CC)[C@@H]1CC[N@H+](C)C1 ZINC000617552846 345847700 /nfs/dbraw/zinc/84/77/00/345847700.db2.gz WIMUOMSOBDOPSE-QWHCGFSZSA-N 2 0 269.433 1.706 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCN2CCOCC2(C)C)CC1(C)C ZINC000623399262 346156100 /nfs/dbraw/zinc/15/61/00/346156100.db2.gz DPLHJUJHRUEIFZ-AWEZNQCLSA-N 2 0 283.460 1.560 10 0 CDAERP CC[N@H+](C[C@](O)(C[NH3+])c1ccccc1)[C@@H](C)COC ZINC000085300724 179010673 /nfs/dbraw/zinc/01/06/73/179010673.db2.gz LWUUYFBPCVTWLK-DZGCQCFKSA-N 2 0 266.385 1.190 10 0 CDAERP C[N@H+](CCC[C@@](C)(O)C[NH3+])CCc1ccccn1 ZINC000085304029 179011470 /nfs/dbraw/zinc/01/14/70/179011470.db2.gz KRTQLRWOQJYIRE-CQSZACIVSA-N 2 0 251.374 1.046 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CCN2CCSCC2)CC1(C)C ZINC000623416458 346265962 /nfs/dbraw/zinc/26/59/62/346265962.db2.gz VRIALGLZRUHWDK-CYBMUJFWSA-N 2 0 271.474 1.498 10 0 CDAERP CC(C)[NH+](CCNC(=O)[C@@H]1CCC[C@H]1[NH3+])C(C)C ZINC000085355286 179030421 /nfs/dbraw/zinc/03/04/21/179030421.db2.gz ZIPSSFIJPOTBIY-CHWSQXEVSA-N 2 0 255.406 1.349 10 0 CDAERP CC[NH+](CC)CCN(CC(C)C)C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000085368426 179038205 /nfs/dbraw/zinc/03/82/05/179038205.db2.gz VWAGWYBBNANQKJ-HUUCEWRRSA-N 2 0 283.460 1.940 10 0 CDAERP CC1CC[NH+](CCCNC(=O)[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000085371326 179041103 /nfs/dbraw/zinc/04/11/03/179041103.db2.gz AVVIUZSAHRDGMN-LSDHHAIUSA-N 2 0 281.444 1.742 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000085374294 179043587 /nfs/dbraw/zinc/04/35/87/179043587.db2.gz AYRFGJRZSQPUEW-AVGNSLFASA-N 2 0 253.390 1.057 10 0 CDAERP CCC[NH+]1CCC([NH2+][C@@H](CC)[C@@H](O)C(F)F)CC1 ZINC000449421593 362705151 /nfs/dbraw/zinc/70/51/51/362705151.db2.gz JCCFPWZIEJOXPM-NWDGAFQWSA-N 2 0 264.360 1.855 10 0 CDAERP c1nc2n(n1)[C@H](C[NH+]1CCC(C[NH+]3CCCC3)CC1)CC2 ZINC000639453371 362744494 /nfs/dbraw/zinc/74/44/94/362744494.db2.gz YNQVFMLZLJPSAE-HNNXBMFYSA-N 2 0 289.427 1.573 10 0 CDAERP C[NH+](C)CCn1c2c(nc1C(C)(C)C)C[NH2+]CC2 ZINC000085568291 179094950 /nfs/dbraw/zinc/09/49/50/179094950.db2.gz PXAQHYDYZBRJLC-UHFFFAOYSA-N 2 0 250.390 1.388 10 0 CDAERP C[C@H]1CC[NH2+]CC[N@@H+]1CCCOCC(F)(F)F ZINC000085622321 179106150 /nfs/dbraw/zinc/10/61/50/179106150.db2.gz VAXGDZNCRXLBNO-JTQLQIEISA-N 2 0 254.296 1.639 10 0 CDAERP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000635927864 362761035 /nfs/dbraw/zinc/76/10/35/362761035.db2.gz UFHOXYPOMHGHCL-KYEXWDHISA-N 2 0 288.395 1.598 10 0 CDAERP CCO[C@H]1C[C@H]([NH2+]CCN2CC[NH+](C)CC2)C12CCCC2 ZINC000085680064 179113372 /nfs/dbraw/zinc/11/33/72/179113372.db2.gz GRFZCAVBCXGNAA-HOTGVXAUSA-N 2 0 295.471 1.561 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CCc3c[nH]nc3C2)CC1(C)C ZINC000623446628 346762162 /nfs/dbraw/zinc/76/21/62/346762162.db2.gz LFTVOJALZBSVMC-QWHCGFSZSA-N 2 0 262.401 1.729 10 0 CDAERP C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CC1=O ZINC000623435755 346738417 /nfs/dbraw/zinc/73/84/17/346738417.db2.gz RSQVYANMNYKMKU-MQYQWHSLSA-N 2 0 279.428 1.458 10 0 CDAERP CCC[NH2+][C@H](CCO)CN(CC[NH+](C)C)CC(C)C ZINC000085922480 179201617 /nfs/dbraw/zinc/20/16/17/179201617.db2.gz XPYWOEMDYOXCIG-OAHLLOKOSA-N 2 0 273.465 1.257 10 0 CDAERP CC[N@@H+]1CCN(C(=O)[C@@H]2CCc3[nH]cnc3C2)C[C@@H]1C ZINC000612953128 347337151 /nfs/dbraw/zinc/33/71/51/347337151.db2.gz XVJCSQMSUCGYNZ-NWDGAFQWSA-N 2 0 276.384 1.067 10 0 CDAERP C[N@H+](CCNC(=O)CC[C@@H]1CCCC[NH+]1C)C1CC1 ZINC000352059486 362817086 /nfs/dbraw/zinc/81/70/86/362817086.db2.gz IDSBOKHISZHPPH-ZDUSSCGKSA-N 2 0 267.417 1.461 10 0 CDAERP CN1CC[C@@H]([NH2+]CC2CCS(=O)(=O)CC2)CC1(C)C ZINC000623473639 347407922 /nfs/dbraw/zinc/40/79/22/347407922.db2.gz CHXCHSWTMFAYJW-CYBMUJFWSA-N 2 0 288.457 1.274 10 0 CDAERP C[C@H](CC[NH+](C)C)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000086144756 179237646 /nfs/dbraw/zinc/23/76/46/179237646.db2.gz GJXIXLVAMKXZQK-ZBFHGGJFSA-N 2 0 261.413 1.973 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CN1CC[NH2+]C2(CCCC2)C1 ZINC000086145802 179238454 /nfs/dbraw/zinc/23/84/54/179238454.db2.gz IZVJWUWVXZAWHR-AWEZNQCLSA-N 2 0 251.418 1.689 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3nc[nH]c3C2)CC1(C)C ZINC000623527727 347616950 /nfs/dbraw/zinc/61/69/50/347616950.db2.gz DYGZEBGWNFRDDO-RYUDHWBXSA-N 2 0 262.401 1.729 10 0 CDAERP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)[C@H]1CCOC1 ZINC000623562420 347633270 /nfs/dbraw/zinc/63/32/70/347633270.db2.gz RIGIKBHEQRBKEO-BFHYXJOUSA-N 2 0 270.417 1.500 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCOCC(F)F)CC1(C)C ZINC000623505144 347607616 /nfs/dbraw/zinc/60/76/16/347607616.db2.gz QJIDKWSHUVHNAS-JTQLQIEISA-N 2 0 250.333 1.731 10 0 CDAERP C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](CCCC(=O)N(C)C)C1 ZINC000104407708 185991206 /nfs/dbraw/zinc/99/12/06/185991206.db2.gz AOOUVMSCQGXTIZ-QWHCGFSZSA-N 2 0 255.406 1.175 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000620550602 350251192 /nfs/dbraw/zinc/25/11/92/350251192.db2.gz OMUSIBGXAYADEI-OLZOCXBDSA-N 2 0 270.421 1.110 10 0 CDAERP C[C@@H]([NH2+]CCOCCC[NH3+])c1ccc(F)cc1F ZINC000629535577 362960745 /nfs/dbraw/zinc/96/07/45/362960745.db2.gz CKQQOEXDWBVUGE-SNVBAGLBSA-N 2 0 258.312 1.981 10 0 CDAERP C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629542398 362966579 /nfs/dbraw/zinc/96/65/79/362966579.db2.gz YXHOQZCHCQDBRB-BFJAYTPKSA-N 2 0 261.413 1.675 10 0 CDAERP CCC[C@@H]1CN(C[C@@H]([NH3+])CC(C)C)CC[N@@H+]1CCOC ZINC000414703340 366000759 /nfs/dbraw/zinc/00/07/59/366000759.db2.gz IUQSTFAHGSZBBE-JKSUJKDBSA-N 2 0 285.476 1.793 10 0 CDAERP CCn1nccc1CC[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000621774036 350770117 /nfs/dbraw/zinc/77/01/17/350770117.db2.gz JCUANCFUWNKAPP-CYBMUJFWSA-N 2 0 250.390 1.377 10 0 CDAERP CC[NH+]1CCC(NC(=O)c2ccc(C[NH+](C)C)nc2)CC1 ZINC000622285247 351112020 /nfs/dbraw/zinc/11/20/20/351112020.db2.gz HGQJBUTWOHVNRL-UHFFFAOYSA-N 2 0 290.411 1.357 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1cc(F)ccc1C ZINC000629569430 363021592 /nfs/dbraw/zinc/02/15/92/363021592.db2.gz CPVROSZAFPCVQD-UHFFFAOYSA-N 2 0 254.349 1.802 10 0 CDAERP CCN(C)CC[NH2+][C@@H]1CCN(CCc2ccccc2)C1 ZINC000054110550 358465150 /nfs/dbraw/zinc/46/51/50/358465150.db2.gz DHXVXKBDANNICT-QGZVFWFLSA-N 2 0 275.440 1.845 10 0 CDAERP C[C@@H](CC[NH3+])NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000417933271 295861875 /nfs/dbraw/zinc/86/18/75/295861875.db2.gz OFHDCHZYVDGOKP-HIFPTAJRSA-N 2 0 270.421 1.143 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1cc(OC)cc(OC)c1 ZINC000629654002 363254484 /nfs/dbraw/zinc/25/44/84/363254484.db2.gz SYBXWARJZZHKIN-UHFFFAOYSA-N 2 0 282.384 1.372 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1ccc(F)c(C)c1 ZINC000629654126 363255291 /nfs/dbraw/zinc/25/52/91/363255291.db2.gz VRSBFZFQXKTFQG-UHFFFAOYSA-N 2 0 254.349 1.802 10 0 CDAERP CC(=O)[C@](C)(O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000570037361 363308875 /nfs/dbraw/zinc/30/88/75/363308875.db2.gz RUODTUQEQZWDGJ-OAHLLOKOSA-N 2 0 270.417 1.379 10 0 CDAERP Cc1cnn(CC[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000336369513 363456891 /nfs/dbraw/zinc/45/68/91/363456891.db2.gz KRQYIQVWFYBZOX-HNNXBMFYSA-N 2 0 262.401 1.609 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)[C@H]2CCC[C@H]21 ZINC000453323712 283136464 /nfs/dbraw/zinc/13/64/64/283136464.db2.gz BHXXHSIQKDHZNL-BPKGMFCQSA-N 2 0 293.455 1.312 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3nc[nH]c3C2)[C@H]2CCC[C@H]21 ZINC000353622661 283141539 /nfs/dbraw/zinc/14/15/39/283141539.db2.gz MKIHLGATCXFHJM-NFFDBFGFSA-N 2 0 274.412 1.729 10 0 CDAERP C[C@@H]1C[NH+](CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@@H](C)O1 ZINC000246932391 356507711 /nfs/dbraw/zinc/50/77/11/356507711.db2.gz JAXPALGGHPHACY-RUPPMWDTSA-N 2 0 284.444 1.985 10 0 CDAERP CO[C@H](C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)[C@H]1CCOC1 ZINC000659956875 412635879 /nfs/dbraw/zinc/63/58/79/412635879.db2.gz OEMYVTWQODOHJI-IXDOHACOSA-N 2 0 296.455 1.846 10 0 CDAERP C[C@](O)(C[C@@H](O)C[NH2+]CCC[NH+]1CCCCC1)C1CC1 ZINC000634638684 356617150 /nfs/dbraw/zinc/61/71/50/356617150.db2.gz SRFSODFFVHFIEZ-CVEARBPZSA-N 2 0 284.444 1.364 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1 ZINC000456176103 363555762 /nfs/dbraw/zinc/55/57/62/363555762.db2.gz WZXNEKIJICZPFN-BFHYXJOUSA-N 2 0 265.401 1.023 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCC(OC)CC1 ZINC000079681135 538486298 /nfs/dbraw/zinc/48/62/98/538486298.db2.gz JIYXNQRUZBWTAW-HNNXBMFYSA-N 2 0 297.443 1.088 10 0 CDAERP CO[C@H](C[N@H+](C)CC[C@@H]1CCCC[NH+]1C)[C@@H]1CCOC1 ZINC000659960357 412641943 /nfs/dbraw/zinc/64/19/43/412641943.db2.gz IIMWLPDBWFQWMQ-OWCLPIDISA-N 2 0 284.444 1.844 10 0 CDAERP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)NC2CCCCC2)C1 ZINC000070074236 356836910 /nfs/dbraw/zinc/83/69/10/356836910.db2.gz ICPYTHUSNJSQAJ-ZDUSSCGKSA-N 2 0 267.417 1.496 10 0 CDAERP CC[N@H+](C)CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000367975424 357100788 /nfs/dbraw/zinc/10/07/88/357100788.db2.gz YEEOBDDGTXUAKA-CQSZACIVSA-N 2 0 273.396 1.267 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000091543722 357717193 /nfs/dbraw/zinc/71/71/93/357717193.db2.gz IPXVVMNIZHGBTQ-CHWSQXEVSA-N 2 0 267.417 1.447 10 0 CDAERP C[C@@H](CNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C[NH+]1CCCC1 ZINC000417164073 295955758 /nfs/dbraw/zinc/95/57/58/295955758.db2.gz UAWHDPDPEKURPF-SOUVJXGZSA-N 2 0 294.443 1.254 10 0 CDAERP C[C@@H](CNC(=O)NC1CCC(C[NH+](C)C)CC1)[NH+](C)C ZINC000454713530 295956769 /nfs/dbraw/zinc/95/67/69/295956769.db2.gz SXORPYJAAPUVLE-HSBZDZAISA-N 2 0 284.448 1.356 10 0 CDAERP CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000262664094 358077822 /nfs/dbraw/zinc/07/78/22/358077822.db2.gz IFPDLJRMCUPWKZ-BFHYXJOUSA-N 2 0 269.433 1.693 10 0 CDAERP CC(C)[NH+]1CCN(CCC[N@H+](C)C[C@H]2CCCO2)CC1 ZINC000191454525 358133240 /nfs/dbraw/zinc/13/32/40/358133240.db2.gz OFDNEFLRXNUJBB-MRXNPFEDSA-N 2 0 283.460 1.513 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000571657654 366386063 /nfs/dbraw/zinc/38/60/63/366386063.db2.gz HHNHAJQLDDRGGE-HZSPNIEDSA-N 2 0 282.432 1.016 10 0 CDAERP Cc1noc(C2(C)CCN(C[C@@]3(C)CC[NH2+]C3)CC2)n1 ZINC000261889643 359079109 /nfs/dbraw/zinc/07/91/09/359079109.db2.gz SVYDAJPCTWYCBM-AWEZNQCLSA-N 2 0 278.400 1.731 10 0 CDAERP Fc1cccc(F)c1N1CC[C@@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC000335252465 359135808 /nfs/dbraw/zinc/13/58/08/359135808.db2.gz QIAGWGUOGJQELN-GFCCVEGCSA-N 2 0 281.350 1.885 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000347362104 359325467 /nfs/dbraw/zinc/32/54/67/359325467.db2.gz PZUMACVNSFFVOR-CVEARBPZSA-N 2 0 293.455 1.994 10 0 CDAERP O[C@@H](CC[NH2+]C1CC[NH+](CC2CC2)CC1)C(F)(F)F ZINC000572409354 359330813 /nfs/dbraw/zinc/33/08/13/359330813.db2.gz KGAJCSWOGDEOHK-LBPRGKRZSA-N 2 0 280.334 1.764 10 0 CDAERP C[C@@H](C[NH2+]C1CCN(C(N)=O)CC1)C[NH+]1CCCCC1 ZINC000038042040 359482379 /nfs/dbraw/zinc/48/23/79/359482379.db2.gz XXGZJTCOILDCHS-ZDUSSCGKSA-N 2 0 282.432 1.241 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](C)[NH+](CC)CC ZINC000355592984 359651114 /nfs/dbraw/zinc/65/11/14/359651114.db2.gz BSWMNPTXRGZXKJ-CABCVRRESA-N 2 0 298.475 1.890 10 0 CDAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000422922725 359678127 /nfs/dbraw/zinc/67/81/27/359678127.db2.gz UFBVOPVQNVBYQT-ZVDSWSACSA-N 2 0 293.455 1.896 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423424104 359781899 /nfs/dbraw/zinc/78/18/99/359781899.db2.gz MKHYWJXSMDVQRE-MGPQQGTHSA-N 3 0 257.422 1.095 10 0 CDAERP C[NH+](C)C1CC[NH+]([C@H]2Cc3ccc(N)cc3C2)CC1 ZINC000148594542 363689330 /nfs/dbraw/zinc/68/93/30/363689330.db2.gz DVWQUTRLYRQLOG-INIZCTEOSA-N 2 0 259.397 1.762 10 0 CDAERP CC[NH+]1CCN(CCCC[NH2+]Cc2oc(C)nc2C)CC1 ZINC000628202347 360241373 /nfs/dbraw/zinc/24/13/73/360241373.db2.gz PWBYTALSSKZFRM-UHFFFAOYSA-N 2 0 294.443 1.799 10 0 CDAERP C[NH2+]CCCC(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000094447064 360315539 /nfs/dbraw/zinc/31/55/39/360315539.db2.gz RYEPZGJUJOBNBX-CHWSQXEVSA-N 2 0 253.390 1.071 10 0 CDAERP C([C@H]1CCCN1CC12CC(C1)C[NH2+]2)[NH+]1CCCCC1 ZINC000634992441 360619544 /nfs/dbraw/zinc/61/95/44/360619544.db2.gz OWYMVKHSUWOLRC-HWOWSKLDSA-N 2 0 263.429 1.689 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)C[NH2+]1 ZINC000626941987 360673979 /nfs/dbraw/zinc/67/39/79/360673979.db2.gz IJPWLQRFRMHEMY-DOMZBBRYSA-N 2 0 294.443 1.301 10 0 CDAERP CN(C(=O)c1ccc(C[NH3+])cc1)[C@H]1C[NH+]2CCC1CC2 ZINC000312337186 360802869 /nfs/dbraw/zinc/80/28/69/360802869.db2.gz IJQOWBTXBPHUBD-HNNXBMFYSA-N 2 0 273.380 1.312 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)CC[NH2+]1 ZINC000417826240 360777975 /nfs/dbraw/zinc/77/79/75/360777975.db2.gz BVEIABPXXLVXHU-BPUTZDHNSA-N 2 0 287.407 1.548 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000417327362 296026395 /nfs/dbraw/zinc/02/63/95/296026395.db2.gz LGXODURIBRXTIX-XQHKEYJVSA-N 2 0 270.421 1.142 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C)[C@@H](C)[NH3+])C1 ZINC000417907199 361286266 /nfs/dbraw/zinc/28/62/66/361286266.db2.gz DPNUKIOJZPJPDC-HZSPNIEDSA-N 2 0 284.448 1.389 10 0 CDAERP COc1cncc(/C=C\CC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000645780021 361484725 /nfs/dbraw/zinc/48/47/25/361484725.db2.gz IEGNPQNLDSEKBX-HGJIPHSASA-N 2 0 273.380 1.645 10 0 CDAERP O=C(Nc1cnn(CC[NH+]2CCCCC2)c1)[C@@H]1CCC[NH2+]1 ZINC000238096811 361527813 /nfs/dbraw/zinc/52/78/13/361527813.db2.gz BHTQQUQBZSFAIM-AWEZNQCLSA-N 2 0 291.399 1.060 10 0 CDAERP c1cn(CCC[NH2+]Cc2cnnn2Cc2ccccc2)cn1 ZINC000291838949 239253937 /nfs/dbraw/zinc/25/39/37/239253937.db2.gz CHEFYTLYQSLWNG-UHFFFAOYSA-N 2 0 296.378 1.703 10 0 CDAERP C[C@@H](NC(=O)NCCC[NH3+])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417993783 364118538 /nfs/dbraw/zinc/11/85/38/364118538.db2.gz OKTWVNVKVNGIJY-CHWSQXEVSA-N 2 0 282.432 1.287 10 0 CDAERP C[C@H]([NH2+]CCCOC[C@H]1CCCO1)[C@H]1CC[NH2+]C1 ZINC000400347020 239477389 /nfs/dbraw/zinc/47/73/89/239477389.db2.gz HVYZZCUNIZQYDJ-MELADBBJSA-N 2 0 256.390 1.160 10 0 CDAERP COc1ccc(F)c(C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)c1 ZINC000293717199 370764803 /nfs/dbraw/zinc/76/48/03/370764803.db2.gz YEQVFTBWJMXXIX-ZDUSSCGKSA-N 2 0 295.402 1.560 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCC12CC2 ZINC000566501533 370753091 /nfs/dbraw/zinc/75/30/91/370753091.db2.gz XXKZWQRFPVBIGG-ZIAGYGMSSA-N 2 0 251.418 1.545 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1noc2ccccc12 ZINC000569020169 294144743 /nfs/dbraw/zinc/14/47/43/294144743.db2.gz VSIJIKXWLKQESZ-LLVKDONJSA-N 2 0 263.341 1.671 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)CCCCO ZINC000471809661 364992468 /nfs/dbraw/zinc/99/24/68/364992468.db2.gz LVFLUTYPNFKDSQ-UHFFFAOYSA-N 2 0 274.368 1.780 10 0 CDAERP COC[C@@H](C)C[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000188296376 365171355 /nfs/dbraw/zinc/17/13/55/365171355.db2.gz DDBONAUNWZCEML-ZDUSSCGKSA-N 2 0 281.400 1.394 10 0 CDAERP CSC1(C[NH2+][C@H]2CCCOC2)CC[NH+](C)CC1 ZINC000353623228 365339420 /nfs/dbraw/zinc/33/94/20/365339420.db2.gz AUXRELXOORQFMV-LBPRGKRZSA-N 2 0 258.431 1.582 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000626960365 366936153 /nfs/dbraw/zinc/93/61/53/366936153.db2.gz QNEGNFGMLSFJHF-GXTWGEPZSA-N 2 0 282.432 1.301 10 0 CDAERP CC(C)[NH+](CCCNC(=O)N1CC[C@H]([NH+](C)C)C1)C(C)C ZINC000174357124 367061081 /nfs/dbraw/zinc/06/10/81/367061081.db2.gz GZRLVJKOPZGVIV-HNNXBMFYSA-N 2 0 298.475 1.841 10 0 CDAERP C[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)[NH+](C)C1CC1 ZINC000174738598 367072983 /nfs/dbraw/zinc/07/29/83/367072983.db2.gz MESORDHXPMGDNL-UMVBOHGHSA-N 2 0 296.459 1.593 10 0 CDAERP C[C@H]1C[N@H+](C)C[C@@H]1NCC(C)(C)C[NH+]1CCCC1 ZINC000357884746 367278567 /nfs/dbraw/zinc/27/85/67/367278567.db2.gz VFGQGXQDKUSKAB-KBPBESRZSA-N 2 0 253.434 1.648 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CN(C)C[C@H]1C)N1CCc2ccccc21 ZINC000358009175 367366086 /nfs/dbraw/zinc/36/60/86/367366086.db2.gz CKGCBNZFOIUMJB-IIAWOOMASA-N 2 0 273.424 1.977 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)CC[N@@H+]1C ZINC000630083408 367520140 /nfs/dbraw/zinc/52/01/40/367520140.db2.gz NRPNKQFOVQZXAM-HZSPNIEDSA-N 2 0 281.444 1.706 10 0 CDAERP CC[NH+](CC)CCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000565181838 367646808 /nfs/dbraw/zinc/64/68/08/367646808.db2.gz NWRKYDXKTROVJX-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP CCCN(CC[NH+](CC)CC)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627204044 367699104 /nfs/dbraw/zinc/69/91/04/367699104.db2.gz ARVVLBYUBZEYDK-CABCVRRESA-N 2 0 298.475 1.890 10 0 CDAERP C[C@H]([NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1ccc(S(N)(=O)=O)cc1 ZINC000089148472 299379033 /nfs/dbraw/zinc/37/90/33/299379033.db2.gz HHSDUIJNDBSAGQ-ZKYQVNSYSA-N 2 0 297.424 1.112 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000627238572 367801074 /nfs/dbraw/zinc/80/10/74/367801074.db2.gz IXHJBTCYXVWONX-MELADBBJSA-N 2 0 280.416 1.007 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)NC2(C)CC[NH2+]CC2)cc1 ZINC000418460936 243105944 /nfs/dbraw/zinc/10/59/44/243105944.db2.gz KVSARBRFLFKMBA-GFCCVEGCSA-N 2 0 290.411 1.648 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000418503447 243150732 /nfs/dbraw/zinc/15/07/32/243150732.db2.gz XTPOPEJMIHGVAB-HNNXBMFYSA-N 2 0 296.459 1.487 10 0 CDAERP CN(C(=O)NC[C@@]1(C)CCC[NH2+]C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000418534673 243188733 /nfs/dbraw/zinc/18/87/33/243188733.db2.gz GIWHCPFSEPURQF-HOCLYGCPSA-N 2 0 294.443 1.254 10 0 CDAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000418582969 243237416 /nfs/dbraw/zinc/23/74/16/243237416.db2.gz WATWFJKWPLEWLY-UONOGXRCSA-N 2 0 282.432 1.112 10 0 CDAERP CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000418689160 243342700 /nfs/dbraw/zinc/34/27/00/243342700.db2.gz BNZUHNXNKRATEL-UONOGXRCSA-N 2 0 286.464 1.732 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)N(C)CCC[NH+](C)C ZINC000541833835 368684305 /nfs/dbraw/zinc/68/43/05/368684305.db2.gz PQDFNGRXXLJKTK-CYBMUJFWSA-N 2 0 272.437 1.310 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000362867852 369120733 /nfs/dbraw/zinc/12/07/33/369120733.db2.gz MTILHEQDKMIQGZ-OAHLLOKOSA-N 2 0 281.444 1.661 10 0 CDAERP O=C(C1CCCCC1)N1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420299849 244045375 /nfs/dbraw/zinc/04/53/75/244045375.db2.gz JOIPXOPWGJDLQZ-HNNXBMFYSA-N 2 0 293.455 1.711 10 0 CDAERP O=C([C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1)N1CCCC1 ZINC000420313597 244070191 /nfs/dbraw/zinc/07/01/91/244070191.db2.gz YDFXCRUJPBFTOC-JKSUJKDBSA-N 2 0 293.455 1.711 10 0 CDAERP CC(=O)N1CCC(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000367604962 369196300 /nfs/dbraw/zinc/19/63/00/369196300.db2.gz DRTABIBUPWOZHC-BRWVUGGUSA-N 2 0 293.455 1.707 10 0 CDAERP COC1(C[C@H](C)[NH2+]C[C@@H]2CN3CCC[C@@H]3CO2)CCC1 ZINC000368467772 369487088 /nfs/dbraw/zinc/48/70/88/369487088.db2.gz XFRWZTQLWKCAKT-RRFJBIMHSA-N 2 0 282.428 1.787 10 0 CDAERP CC(C)[C@H]([NH3+])CNC(=O)NCC1([NH3+])CCCCCC1 ZINC000418281792 370441587 /nfs/dbraw/zinc/44/15/87/370441587.db2.gz FNBBVJPHAJKTBZ-GFCCVEGCSA-N 2 0 270.421 1.321 10 0 CDAERP C[NH2+][C@H](C)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000389937434 370471690 /nfs/dbraw/zinc/47/16/90/370471690.db2.gz NLOKGKBLFATMQJ-NFAWXSAZSA-N 2 0 275.396 1.231 10 0 CDAERP [NH3+]C[C@@H](NC(=O)NCC1([NH3+])CCCCCC1)C1CC1 ZINC000418287179 370564273 /nfs/dbraw/zinc/56/42/73/370564273.db2.gz SQLRFEFBKUMOHT-GFCCVEGCSA-N 2 0 268.405 1.075 10 0 CDAERP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000414953748 371036647 /nfs/dbraw/zinc/03/66/47/371036647.db2.gz KBPDQTCXVDBACA-BBRMVZONSA-N 2 0 270.380 1.960 10 0 CDAERP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCCN1CCCC1=O ZINC000422774905 245240954 /nfs/dbraw/zinc/24/09/54/245240954.db2.gz YXGROJCVHNKUEY-CHWSQXEVSA-N 2 0 253.390 1.106 10 0 CDAERP CC[C@@H](Cn1cncn1)[NH2+]CCC[NH+](CC)CC ZINC000340469925 371067075 /nfs/dbraw/zinc/06/70/75/371067075.db2.gz XJNSXWFSDIBRHP-ZDUSSCGKSA-N 2 0 253.394 1.378 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCN1CCCC[C@H]1C(=[NH2+])NO ZINC000376078241 371095749 /nfs/dbraw/zinc/09/57/49/371095749.db2.gz DDGVIKCFUZVBIC-RYUDHWBXSA-N 2 0 254.378 1.281 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)N(CC)[C@@H]2CC[NH+](C)C2)C1 ZINC000666920131 482986782 /nfs/dbraw/zinc/98/67/82/482986782.db2.gz NWHZEAVDFUACHQ-UONOGXRCSA-N 2 0 282.432 1.206 10 0 CDAERP [NH3+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000377535256 371568149 /nfs/dbraw/zinc/56/81/49/371568149.db2.gz DMNTWHCVKBSMAS-SUJAAXHWSA-N 2 0 293.455 1.788 10 0 CDAERP CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000573689680 371626050 /nfs/dbraw/zinc/62/60/50/371626050.db2.gz NXOYWDGVOGMCGP-MRXNPFEDSA-N 2 0 287.407 1.433 10 0 CDAERP CC(C)[NH2+]CCC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000168815034 371701510 /nfs/dbraw/zinc/70/15/10/371701510.db2.gz NDHHFWJMUKQVLP-UHFFFAOYSA-N 2 0 295.402 1.892 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000423047143 245522383 /nfs/dbraw/zinc/52/23/83/245522383.db2.gz GOULNVOFJFYFDX-BFHYXJOUSA-N 2 0 272.433 1.922 10 0 CDAERP Cc1nn(C)c(C)c1CCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000581141852 372851294 /nfs/dbraw/zinc/85/12/94/372851294.db2.gz FINGUDVVYPMMBK-KGLIPLIRSA-N 2 0 264.417 1.829 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[C@H]([NH3+])C2)[C@H](C)C1 ZINC000178814032 372984621 /nfs/dbraw/zinc/98/46/21/372984621.db2.gz UAYUZJOOLIWUHU-KBXIAJHMSA-N 2 0 281.444 1.693 10 0 CDAERP Cc1nc(C[NH2+]CCCC[NH+]2CCOCC2)[nH]c1C ZINC000581618850 373135946 /nfs/dbraw/zinc/13/59/46/373135946.db2.gz QZHLFIWZKCYTMJ-UHFFFAOYSA-N 2 0 266.389 1.229 10 0 CDAERP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)C[NH+](C)C ZINC000341268590 373518947 /nfs/dbraw/zinc/51/89/47/373518947.db2.gz KJLYRHNTEMGJNM-GFCCVEGCSA-N 2 0 255.406 1.032 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000582011756 373537844 /nfs/dbraw/zinc/53/78/44/373537844.db2.gz MKDNXOPONRZMOV-KGLIPLIRSA-N 2 0 283.460 1.811 10 0 CDAERP [NH3+]CCC[N@@H+](Cc1ccccc1)C[C@@H]1CCc2ncnn21 ZINC000631825699 373712047 /nfs/dbraw/zinc/71/20/47/373712047.db2.gz QTUXVGIOSVVTRP-HNNXBMFYSA-N 2 0 285.395 1.616 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc2cnn(C)c2c1 ZINC000584523972 373936643 /nfs/dbraw/zinc/93/66/43/373936643.db2.gz RVVASPOGBSDYQB-CQSZACIVSA-N 2 0 276.384 1.417 10 0 CDAERP CC[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000037017302 373983620 /nfs/dbraw/zinc/98/36/20/373983620.db2.gz JLVAIEOLXQKMPQ-CQSZACIVSA-N 2 0 261.369 1.958 10 0 CDAERP CCN1C(N)=[NH+]C[C@]12CC[N@H+](Cc1ccccc1)[C@H]2C ZINC000307669541 374296534 /nfs/dbraw/zinc/29/65/34/374296534.db2.gz SOOHVWWHTPEYTM-BBRMVZONSA-N 2 0 272.396 1.670 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)CN1CC[C@H](C(F)F)C1 ZINC000660148235 412822429 /nfs/dbraw/zinc/82/24/29/412822429.db2.gz TXLZEWPZMHNSEM-QWRGUYRKSA-N 2 0 250.333 1.275 10 0 CDAERP CC(C)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000109751153 374469504 /nfs/dbraw/zinc/46/95/04/374469504.db2.gz YFIJUZJSIKOICY-OAHLLOKOSA-N 2 0 253.434 1.744 10 0 CDAERP CCn1nccc1CC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631888945 374563719 /nfs/dbraw/zinc/56/37/19/374563719.db2.gz AAOVWFVQIXXYSG-DZGCQCFKSA-N 2 0 262.401 1.519 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)[C@H](C)C1 ZINC000418757174 374565816 /nfs/dbraw/zinc/56/58/16/374565816.db2.gz DLRMIOSQINJENW-TUVASFSCSA-N 2 0 296.459 1.486 10 0 CDAERP CC1CC[NH+](CCCN[C@H]2CCC[NH2+]CC2)CC1 ZINC000128909535 375163544 /nfs/dbraw/zinc/16/35/44/375163544.db2.gz WEEVYERKQSLZSI-HNNXBMFYSA-N 2 0 253.434 1.840 10 0 CDAERP COCCC[NH+]1CCC([NH2+][C@H]2CC[C@@H]2SC)CC1 ZINC000425359577 246794606 /nfs/dbraw/zinc/79/46/06/246794606.db2.gz RXSCFPFEBQSSCW-KBPBESRZSA-N 2 0 272.458 1.971 10 0 CDAERP CN1CCc2c(C[NH3+])c(Br)sc2C1 ZINC000132815623 375601112 /nfs/dbraw/zinc/60/11/12/375601112.db2.gz TXUNUDOSWGWOLP-UHFFFAOYSA-N 2 0 261.188 1.957 10 0 CDAERP C[N@@H+]1CC[C@H]2CN(C(=[NH2+])NCc3ccccc3)C[C@@H]2C1 ZINC000306843449 375799794 /nfs/dbraw/zinc/79/97/94/375799794.db2.gz GJNBZAIOWMPYRU-GJZGRUSLSA-N 2 0 272.396 1.594 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](CO)CC(F)F ZINC000428651741 247340509 /nfs/dbraw/zinc/34/05/09/247340509.db2.gz SDZNBRAZXRLFOZ-GFCCVEGCSA-N 2 0 296.321 1.681 10 0 CDAERP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000643479623 375851230 /nfs/dbraw/zinc/85/12/30/375851230.db2.gz FCEZQRKUOYNRIO-ZIAGYGMSSA-N 3 0 253.434 1.696 10 0 CDAERP O[C@H](C[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1)C[NH+]1CCCC1 ZINC000353227175 375852015 /nfs/dbraw/zinc/85/20/15/375852015.db2.gz ASXUEYSPMFOBJO-WCXIOVBPSA-N 2 0 296.455 1.628 10 0 CDAERP CC(C)CNC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194737811 375958287 /nfs/dbraw/zinc/95/82/87/375958287.db2.gz OKFCNNRJVIAYPW-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC[N@@H+]1C ZINC000631151254 375976031 /nfs/dbraw/zinc/97/60/31/375976031.db2.gz ZVBUNAIIINPBOU-HRCADAONSA-N 2 0 293.455 1.804 10 0 CDAERP CC[C@@H]1CN(CC[C@@H]2CCC[N@@H+]2C)CC[NH+]1C[C@H](C)O ZINC000245698767 376138673 /nfs/dbraw/zinc/13/86/73/376138673.db2.gz XFZQOBYGXFDBGD-XHSDSOJGSA-N 2 0 283.460 1.248 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N[C@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000417387088 376246936 /nfs/dbraw/zinc/24/69/36/376246936.db2.gz GYVZVWYYTZVDPV-GJZGRUSLSA-N 2 0 296.459 1.535 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000417390143 376317503 /nfs/dbraw/zinc/31/75/03/376317503.db2.gz JRDMMHHWJGSMGQ-ZFWWWQNUSA-N 2 0 296.459 1.548 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)CC[C@H]2CC[NH2+]C2)CC1 ZINC000638976193 376322222 /nfs/dbraw/zinc/32/22/22/376322222.db2.gz VKDMYIKEHLOMEZ-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000638975547 376328127 /nfs/dbraw/zinc/32/81/27/376328127.db2.gz KYWOMWCVRNBHJZ-KBPBESRZSA-N 2 0 281.444 1.694 10 0 CDAERP c1nc2n(n1)[C@H](C[NH+]1CCC([C@H]3CC[NH2+]C3)CC1)CC2 ZINC000631826230 376656705 /nfs/dbraw/zinc/65/67/05/376656705.db2.gz IILLTDQPGWLGCW-KBPBESRZSA-N 2 0 275.400 1.087 10 0 CDAERP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631841045 376692578 /nfs/dbraw/zinc/69/25/78/376692578.db2.gz HOOUPYWTKZSQPX-SRVKXCTJSA-N 2 0 255.406 1.206 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C)C2)CC[N@@H+]1C ZINC000631881925 376770994 /nfs/dbraw/zinc/77/09/94/376770994.db2.gz MBGNLCRCABREJU-JONQDZQNSA-N 2 0 293.455 1.659 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNS(=O)(=O)CCC[NH+](C)C)cc1 ZINC000631907686 376800813 /nfs/dbraw/zinc/80/08/13/376800813.db2.gz QTSLOTQSRBQHEP-LBPRGKRZSA-N 2 0 299.440 1.077 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000417748510 378530259 /nfs/dbraw/zinc/53/02/59/378530259.db2.gz ILHBLJWNVMDVCQ-BZPMIXESSA-N 2 0 280.416 1.005 10 0 CDAERP CCC[C@@H](O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662325220 412896790 /nfs/dbraw/zinc/89/67/90/412896790.db2.gz DBJJTACHLVUIBW-ZIAGYGMSSA-N 2 0 258.406 1.190 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@@H]2CN(C)C[C@H]2C)CC1 ZINC000344204552 379254120 /nfs/dbraw/zinc/25/41/20/379254120.db2.gz ADIXAZXRSZJZDF-UKRRQHHQSA-N 3 0 253.434 1.648 10 0 CDAERP CC(C)[C@H]1CN(C(=O)[C@H]2C[C@@]23CCC[NH2+]C3)CC[N@@H+]1C ZINC000634300658 379359751 /nfs/dbraw/zinc/35/97/51/379359751.db2.gz HAOWBNVUZJBANF-IIAWOOMASA-N 2 0 279.428 1.175 10 0 CDAERP COC[C@@H](C[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)OC ZINC000344308054 379452083 /nfs/dbraw/zinc/45/20/83/379452083.db2.gz SAHOSBXIYSIUAD-OAHLLOKOSA-N 2 0 290.367 1.327 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](C)C[C@H](C)O ZINC000344323197 379556381 /nfs/dbraw/zinc/55/63/81/379556381.db2.gz ICNGVAKCTYWWPJ-NEPJUHHUSA-N 2 0 274.368 1.825 10 0 CDAERP CO[C@H](C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1)[C@H]1CCOC1 ZINC000660665855 412934922 /nfs/dbraw/zinc/93/49/22/412934922.db2.gz YGTSOVQUUWPTRS-ARFHVFGLSA-N 2 0 282.428 1.456 10 0 CDAERP CC[NH2+]CCCNC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662398843 412960168 /nfs/dbraw/zinc/96/01/68/412960168.db2.gz DLCNLMVSWNYIGV-CQSZACIVSA-N 2 0 261.369 1.337 10 0 CDAERP Cc1ccncc1C[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000281001986 195064313 /nfs/dbraw/zinc/06/43/13/195064313.db2.gz WBSNSBCCFAJIRA-AWEZNQCLSA-N 2 0 276.428 1.363 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000662467521 413043018 /nfs/dbraw/zinc/04/30/18/413043018.db2.gz CYPIOFJQMNOIPH-HNNXBMFYSA-N 2 0 297.443 1.216 10 0 CDAERP COCCN(C)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000367601950 390684082 /nfs/dbraw/zinc/68/40/82/390684082.db2.gz QPWTXEYAJHVKMJ-RRFJBIMHSA-N 2 0 269.433 1.027 10 0 CDAERP C[C@@H]1C[NH+](CC2CCN(C(=O)CCC[NH3+])CC2)C[C@@H](C)O1 ZINC000237500495 390844574 /nfs/dbraw/zinc/84/45/74/390844574.db2.gz BFJKASSJDGXBLJ-ZIAGYGMSSA-N 2 0 297.443 1.073 10 0 CDAERP C[C@@H]([NH2+]CCCC[NH+]1CCOCC1)[C@@H]1CCOC1 ZINC000158751112 390935982 /nfs/dbraw/zinc/93/59/82/390935982.db2.gz IAVGOZSPRUOEOK-ZIAGYGMSSA-N 2 0 256.390 1.113 10 0 CDAERP C[C@H](Cc1ccccc1)CN1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000647507517 390974761 /nfs/dbraw/zinc/97/47/61/390974761.db2.gz RGACJBSHARWEAQ-IIAWOOMASA-N 2 0 262.397 1.913 10 0 CDAERP C[C@@H](COCC(F)(F)F)N[C@H]1C[NH2+]C[C@@H](C)C1 ZINC000647549012 390992870 /nfs/dbraw/zinc/99/28/70/390992870.db2.gz FIHJZWGPZZJSKD-LPEHRKFASA-N 2 0 254.296 1.541 10 0 CDAERP Cc1ccc(C[C@H](CO)N[C@@H]2C[NH2+]C[C@@H](C)C2)cc1 ZINC000647551457 390996491 /nfs/dbraw/zinc/99/64/91/390996491.db2.gz PFDBKBGODWDZFV-CWRNSKLLSA-N 2 0 262.397 1.486 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCn2cccn2)[C@H]2CCC[C@@H]21 ZINC000367615885 390997074 /nfs/dbraw/zinc/99/70/74/390997074.db2.gz MTDAPXQWBJHLHI-ILXRZTDVSA-N 2 0 262.401 1.736 10 0 CDAERP CC(C)C[C@@H](C[NH3+])NC(=O)NCc1nccn1CC(C)C ZINC000417734796 390997288 /nfs/dbraw/zinc/99/72/88/390997288.db2.gz KJSHZUHSHJUBJR-ZDUSSCGKSA-N 2 0 295.431 1.712 10 0 CDAERP C[C@H]1C[NH2+]C[C@@H](NCc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000647550766 390999177 /nfs/dbraw/zinc/99/91/77/390999177.db2.gz GMWZADZRQAGCJW-DOMZBBRYSA-N 2 0 279.403 1.975 10 0 CDAERP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@@H](C3CCC3)C2)CC[NH2+]1 ZINC000415125921 391033207 /nfs/dbraw/zinc/03/32/07/391033207.db2.gz QHHIJSFUGGDKAI-VNHYZAJKSA-N 2 0 252.402 1.875 10 0 CDAERP CCC[C@@H](C)C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000415126471 391034051 /nfs/dbraw/zinc/03/40/51/391034051.db2.gz MEFCQXLNFKJJIT-OCCSQVGLSA-N 2 0 265.405 1.810 10 0 CDAERP CCC[NH+]1CCC(NC(=O)N[C@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000417753741 391034796 /nfs/dbraw/zinc/03/47/96/391034796.db2.gz UPTSBAYGHSWIKZ-OCCSQVGLSA-N 2 0 282.432 1.158 10 0 CDAERP Cc1cn2cc(NC(=O)NCC(F)(F)CN)ccc2n1 ZINC000415138325 391041483 /nfs/dbraw/zinc/04/14/83/391041483.db2.gz ZAVYKQLNHQJFRQ-UHFFFAOYSA-N 2 0 283.282 1.358 10 0 CDAERP C[C@@H]1CN(CC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)CCO1 ZINC000647903825 391202721 /nfs/dbraw/zinc/20/27/21/391202721.db2.gz QLIKFEKKHMPMRC-OWCLPIDISA-N 2 0 281.444 1.171 10 0 CDAERP C[C@H](CN1CCOCC1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647903727 391202750 /nfs/dbraw/zinc/20/27/50/391202750.db2.gz OVPCNKYPJIPIIT-BZUAXINKSA-N 2 0 281.444 1.171 10 0 CDAERP C[C@@H]1CC[NH2+][C@H](C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)C1 ZINC000648104571 391338839 /nfs/dbraw/zinc/33/88/39/391338839.db2.gz DTSCWXLIFXEEMA-QPSCCSFWSA-N 2 0 279.428 1.365 10 0 CDAERP C[C@H](CNC(=O)N1CC[C@H]([NH3+])[C@@H]1C)C[NH+]1CCCCC1 ZINC000417199533 391345289 /nfs/dbraw/zinc/34/52/89/391345289.db2.gz VIBZWLBLCOVORU-RDBSUJKOSA-N 2 0 282.432 1.240 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCOC2)[C@@H]2CCC[C@@H]21 ZINC000353455181 391392349 /nfs/dbraw/zinc/39/23/49/391392349.db2.gz PQKQZHOXHRUNPS-AJNGGQMLSA-N 2 0 252.402 1.875 10 0 CDAERP C[C@@H]1CC2(C[N@@H+]1CC(=O)NC1CCCCC1)CC[NH2+]CC2 ZINC000335281014 391401432 /nfs/dbraw/zinc/40/14/32/391401432.db2.gz WRBVUFZYJDVPKD-CQSZACIVSA-N 2 0 293.455 1.899 10 0 CDAERP CN(C(=O)CC[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000354965900 391437951 /nfs/dbraw/zinc/43/79/51/391437951.db2.gz UFXJOOCUJVHIPD-GOEBONIOSA-N 2 0 293.455 1.946 10 0 CDAERP CS[C@@H]1CC[C@@H]1[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000425338098 391463521 /nfs/dbraw/zinc/46/35/21/391463521.db2.gz OSOLRTGIRSYUJV-HZSPNIEDSA-N 2 0 272.458 1.971 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CC[C@H]2SC)CC1 ZINC000425352993 391482428 /nfs/dbraw/zinc/48/24/28/391482428.db2.gz IMQPSNDXNNZAAP-HZSPNIEDSA-N 2 0 271.474 1.496 10 0 CDAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CC[C@@H]2SC)CC1 ZINC000425357938 391484853 /nfs/dbraw/zinc/48/48/53/391484853.db2.gz QLZYJENYXGFGAQ-ILXRZTDVSA-N 2 0 285.501 1.744 10 0 CDAERP C[C@H](NC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000417848247 391517841 /nfs/dbraw/zinc/51/78/41/391517841.db2.gz BCYKKUWFHWXFTA-FRRDWIJNSA-N 2 0 284.448 1.260 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000418109938 391537777 /nfs/dbraw/zinc/53/77/77/391537777.db2.gz VESVGUNYGVKHTQ-AGIUHOORSA-N 2 0 270.421 1.109 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000417809267 391496213 /nfs/dbraw/zinc/49/62/13/391496213.db2.gz GTJRPSQMPKQGTD-OKILXGFUSA-N 2 0 282.432 1.254 10 0 CDAERP Cc1ccc([C@H]([NH3+])C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1 ZINC000417831077 391499216 /nfs/dbraw/zinc/49/92/16/391499216.db2.gz HRZNPOLKWAWEDI-IVMMDQJWSA-N 2 0 275.396 1.438 10 0 CDAERP C[N@@H+]1CCC[C@H]2CN(CCC[NH+]3CCCC3)CC[C@@H]21 ZINC000162290709 391627217 /nfs/dbraw/zinc/62/72/17/391627217.db2.gz CZFRKZLMOIWFRE-HOTGVXAUSA-N 2 0 265.445 1.888 10 0 CDAERP OCC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC2(CCC2)C1 ZINC000647795635 391642024 /nfs/dbraw/zinc/64/20/24/391642024.db2.gz RZJOLCGSSHLNDP-SOUVJXGZSA-N 2 0 278.440 1.907 10 0 CDAERP COCC1(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647801104 391664725 /nfs/dbraw/zinc/66/47/25/391664725.db2.gz NXFMMLCQCJHCKO-HZSPNIEDSA-N 2 0 252.402 1.781 10 0 CDAERP C[N@H+](CCCCOc1ccccc1)C[C@H](O)C[NH3+] ZINC000415073596 391747831 /nfs/dbraw/zinc/74/78/31/391747831.db2.gz YWHNKJVQGVYXRD-CYBMUJFWSA-N 2 0 252.358 1.097 10 0 CDAERP CCC[C@H](C(=O)NCCC[NH+]1CCCCC1)[NH+](C)C ZINC000179272676 391775179 /nfs/dbraw/zinc/77/51/79/391775179.db2.gz LDMXWXFQZUGZGB-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@@H](C)C[NH+](C)C)cc1 ZINC000418208997 391812289 /nfs/dbraw/zinc/81/22/89/391812289.db2.gz QVQDECMKNQFMKP-NWDGAFQWSA-N 2 0 278.400 1.456 10 0 CDAERP CC1(C)C[NH2+][C@@H]1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000649319219 392011552 /nfs/dbraw/zinc/01/15/52/392011552.db2.gz PIOWWIFZYSYERH-GFCCVEGCSA-N 2 0 271.324 1.204 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262078124 392031250 /nfs/dbraw/zinc/03/12/50/392031250.db2.gz APHXIHNQPHDZOE-FPCVCCKLSA-N 2 0 293.455 1.898 10 0 CDAERP C[N@H+](Cc1ccccc1)[C@H](CN[C@H]1CC[NH2+]C1)C1CC1 ZINC000423067391 392312546 /nfs/dbraw/zinc/31/25/46/392312546.db2.gz ZHPVABCJITUWBG-DLBZAZTESA-N 2 0 273.424 1.849 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]CCCN2CCCC2=O)c2ccccc21 ZINC000422758021 392256901 /nfs/dbraw/zinc/25/69/01/392256901.db2.gz DOTPYTBMUOGPAZ-CABCVRRESA-N 2 0 273.380 1.733 10 0 CDAERP CC1=CCN(CC[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000423038853 392292893 /nfs/dbraw/zinc/29/28/93/392292893.db2.gz PLDQIBPMLSFGOI-GJZGRUSLSA-N 2 0 251.418 1.616 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](C)c1ncc(C)s1 ZINC000423042635 392294946 /nfs/dbraw/zinc/29/49/46/392294946.db2.gz ZVBOARFNWIYWAH-ZYHUDNBSSA-N 2 0 271.430 1.899 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@]1(CO)C[C@H]1c1ccccc1 ZINC000423131176 392369019 /nfs/dbraw/zinc/36/90/19/392369019.db2.gz ZMNIMKCWFNPCDJ-YESZJQIVSA-N 2 0 292.423 1.496 10 0 CDAERP C[C@@H]([NH2+]CCC[NH3+])c1ccc(OCC[NH+](C)C)cc1 ZINC000423175919 392414157 /nfs/dbraw/zinc/41/41/57/392414157.db2.gz FQASCMBZFDFXES-CYBMUJFWSA-N 3 0 265.401 1.626 10 0 CDAERP C[C@H](CC(=O)NC1CC([NH+]2CCCCC2)C1)n1ccnc1 ZINC000573926542 392468847 /nfs/dbraw/zinc/46/88/47/392468847.db2.gz AQBNXNPZWGYGKE-WLYUNCDWSA-N 2 0 290.411 1.967 10 0 CDAERP COc1ccccc1[C@@H]([NH3+])CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000646600142 392588848 /nfs/dbraw/zinc/58/88/48/392588848.db2.gz DGAQQBIYWCKCRX-OBJOEFQTSA-N 2 0 291.395 1.199 10 0 CDAERP CC(C)[NH+]1CCC(NC[C@H]2CCCC[N@@H+]2CCO)CC1 ZINC000449390991 392772774 /nfs/dbraw/zinc/77/27/74/392772774.db2.gz HHKONYHOWNYZBP-MRXNPFEDSA-N 2 0 283.460 1.296 10 0 CDAERP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[C@@H]1C)CN1CC[NH+](C)CC1 ZINC000495077640 393173113 /nfs/dbraw/zinc/17/31/13/393173113.db2.gz GAPCYBKFMMGQBD-APIJFGDWSA-N 2 0 253.434 1.504 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C1CC1)C1CCCCC1 ZINC000494865369 393115929 /nfs/dbraw/zinc/11/59/29/393115929.db2.gz SRDPUCFMXFGOGB-INIZCTEOSA-N 2 0 293.455 1.994 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)[C@@H]1C ZINC000494883837 393120949 /nfs/dbraw/zinc/12/09/49/393120949.db2.gz UDUGYOSQEUJPGT-UMVBOHGHSA-N 2 0 253.434 1.647 10 0 CDAERP CCN1C[C@@H]([NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)CC1=O ZINC000648747046 393253542 /nfs/dbraw/zinc/25/35/42/393253542.db2.gz HCHYOAALYXSLAZ-AWEZNQCLSA-N 2 0 299.378 1.286 10 0 CDAERP CCc1nccn1[C@H](C)CC(=O)N(C)Cc1nccn1C ZINC000648717679 393422599 /nfs/dbraw/zinc/42/25/99/393422599.db2.gz OGUOTYIWVTUZDA-GFCCVEGCSA-N 2 0 289.383 1.789 10 0 CDAERP C[C@@H]1CN(C(=O)CC[C@H]2CCCC[NH+]2C)C[C@H](C)[N@H+]1C ZINC000452150374 393498696 /nfs/dbraw/zinc/49/86/96/393498696.db2.gz ISLKMSCMHAKASL-QLFBSQMISA-N 2 0 281.444 1.802 10 0 CDAERP CC[C@H]([NH2+]C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000662503509 413073551 /nfs/dbraw/zinc/07/35/51/413073551.db2.gz VKDPPGAEAGXWFI-CVEARBPZSA-N 2 0 289.423 1.717 10 0 CDAERP Cc1ccc([C@H]([NH3+])C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000230800460 140213142 /nfs/dbraw/zinc/21/31/42/140213142.db2.gz LMRCMXAQGSQGGN-KGLIPLIRSA-N 2 0 261.369 1.157 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCCC2CC[NH+](C)CC2)CC[NH2+]1 ZINC000235689046 140236753 /nfs/dbraw/zinc/23/67/53/140236753.db2.gz LYRFVWGTHBZWSI-JSGCOSHPSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC[C@@H]1CCC[NH+]1C ZINC000245645328 140273380 /nfs/dbraw/zinc/27/33/80/140273380.db2.gz SZYPTQVIXNIZGB-ILXRZTDVSA-N 2 0 251.418 1.639 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250099281 140301965 /nfs/dbraw/zinc/30/19/65/140301965.db2.gz RCINGQNEIFEMSE-RKFYDKJMSA-N 2 0 265.401 1.021 10 0 CDAERP C[C@]1(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)CC[NH2+]C1 ZINC000261721998 140380616 /nfs/dbraw/zinc/38/06/16/140380616.db2.gz FYSISATXXJVZAY-PBHICJAKSA-N 2 0 299.422 1.908 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000662515644 413085811 /nfs/dbraw/zinc/08/58/11/413085811.db2.gz OMMTYUVRNJIHRU-MELADBBJSA-N 2 0 267.417 1.350 10 0 CDAERP CCc1nccn1[C@H]1CCCN(CCS(C)(=O)=O)C1 ZINC000105904120 147235946 /nfs/dbraw/zinc/23/59/46/147235946.db2.gz CYNDZHLJRKFLHV-LBPRGKRZSA-N 2 0 285.413 1.127 10 0 CDAERP C[C@H](C[NH2+][C@H]1CCC[C@@H]1C[NH3+])N1C[C@@H](C)O[C@@H](C)C1 ZINC000656201723 413101391 /nfs/dbraw/zinc/10/13/91/413101391.db2.gz XYWYJXUTJXXNHA-QMIVOQANSA-N 2 0 269.433 1.201 10 0 CDAERP C[C@H](CCC[NH3+])NC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662568230 413136709 /nfs/dbraw/zinc/13/67/09/413136709.db2.gz NKVVMASEPSLVFE-RISCZKNCSA-N 2 0 261.369 1.465 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000662584386 413152170 /nfs/dbraw/zinc/15/21/70/413152170.db2.gz NZSOJDJUPBHDBF-KGLIPLIRSA-N 2 0 261.369 1.150 10 0 CDAERP CCC[NH+]1CCC(NC(=O)N(CC)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000664223787 413157301 /nfs/dbraw/zinc/15/73/01/413157301.db2.gz CUNFJTYJQVHESW-OAHLLOKOSA-N 2 0 296.459 1.596 10 0 CDAERP COC1(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)CCC1 ZINC000336187636 292112782 /nfs/dbraw/zinc/11/27/82/292112782.db2.gz NMAVUAYUSRZGDW-KBPBESRZSA-N 2 0 252.402 1.972 10 0 CDAERP CO[C@H](C[NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@H]1CCOC1 ZINC000658074258 413174627 /nfs/dbraw/zinc/17/46/27/413174627.db2.gz SCJXZBYFIIJKNK-DZGCQCFKSA-N 2 0 284.444 1.890 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)C1CCC([NH3+])CC1 ZINC000037626578 398097489 /nfs/dbraw/zinc/09/74/89/398097489.db2.gz IVOOZAXWTUSOSQ-IYXRBSQSSA-N 2 0 267.417 1.495 10 0 CDAERP CN(CC(C)(C)[NH3+])C(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000662606089 413178961 /nfs/dbraw/zinc/17/89/61/413178961.db2.gz YJLUWRDYMCHOBB-RYUDHWBXSA-N 2 0 255.406 1.480 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1CCC ZINC000352381722 155149071 /nfs/dbraw/zinc/14/90/71/155149071.db2.gz GHICYDHUIFNXRO-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000658107166 413206764 /nfs/dbraw/zinc/20/67/64/413206764.db2.gz KTCLSAVYZDYJII-KKUMJFAQSA-N 2 0 271.449 1.416 10 0 CDAERP CC[C@@]1(C(=O)N2CCC(C[NH+]3CCCC3)CC2)CCC[NH2+]1 ZINC000128944068 147611455 /nfs/dbraw/zinc/61/14/55/147611455.db2.gz IQNPZJNNYDYJCG-KRWDZBQOSA-N 2 0 293.455 1.853 10 0 CDAERP CN(CC[NH2+]CCF)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001664138821 1172815994 /nfs/dbraw/zinc/81/59/94/1172815994.db2.gz SRFHLEAPMHFIND-OAHLLOKOSA-N 2 0 299.434 1.801 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N(C)CC[NH2+]CCCF)CC[N@@H+]1C ZINC001664142821 1172818254 /nfs/dbraw/zinc/81/82/54/1172818254.db2.gz QTBHICMWBHSBMQ-STQMWFEESA-N 2 0 273.396 1.124 10 0 CDAERP CC[C@H]1CCCC[N@@H+]1CCNC(=O)CC[C@H](C)[NH3+] ZINC000248840022 148891922 /nfs/dbraw/zinc/89/19/22/148891922.db2.gz FKUHLDCGDUKPEK-STQMWFEESA-N 2 0 255.406 1.495 10 0 CDAERP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000262674258 149094213 /nfs/dbraw/zinc/09/42/13/149094213.db2.gz QSRDJIMCXKZTLK-RRFJBIMHSA-N 2 0 297.443 1.073 10 0 CDAERP [NH3+]C[C@H](NC(=O)C1C[NH2+]C1)c1ccc2ccccc2c1 ZINC000262779000 149113772 /nfs/dbraw/zinc/11/37/72/149113772.db2.gz MAUYHBHJKVVFBM-HNNXBMFYSA-N 2 0 269.348 1.175 10 0 CDAERP C[C@H](CCNC(=O)C[C@H]1[NH2+]Cc2ccccc21)[NH+](C)C ZINC000662636113 413234832 /nfs/dbraw/zinc/23/48/32/413234832.db2.gz XVMNEYGKMPIFEN-IUODEOHRSA-N 2 0 275.396 1.677 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000334887714 297106312 /nfs/dbraw/zinc/10/63/12/297106312.db2.gz IBUKNBCABUQHFU-OCCSQVGLSA-N 2 0 296.459 1.547 10 0 CDAERP COCC1(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CCOCC1 ZINC000425935181 292247962 /nfs/dbraw/zinc/24/79/62/292247962.db2.gz CKATWTPPBSPCNX-XHSDSOJGSA-N 2 0 296.455 1.892 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1nccs1 ZINC000664314423 413260738 /nfs/dbraw/zinc/26/07/38/413260738.db2.gz KMLNTAKXLKWWFB-NSHDSACASA-N 2 0 284.429 1.145 10 0 CDAERP COC(=O)c1occc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000343568341 152227323 /nfs/dbraw/zinc/22/73/23/152227323.db2.gz KCDBUPKZSIGJJN-UHFFFAOYSA-N 2 0 296.367 1.268 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)CCOC(C)C)[C@@H](C)C1 ZINC000349859202 154245084 /nfs/dbraw/zinc/24/50/84/154245084.db2.gz ZBSFXDUVASTEDR-XHSDSOJGSA-N 2 0 286.460 1.825 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000262285895 289395908 /nfs/dbraw/zinc/39/59/08/289395908.db2.gz MJRFJYBLZAJJKX-MELADBBJSA-N 2 0 267.417 1.495 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662679562 413300355 /nfs/dbraw/zinc/30/03/55/413300355.db2.gz AIUDREFNHNDXDL-CYBMUJFWSA-N 2 0 279.428 1.652 10 0 CDAERP CC(C)[C@@H]([NH3+])C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000662685922 413312339 /nfs/dbraw/zinc/31/23/39/413312339.db2.gz IMPZGIYHDHCIRQ-UONOGXRCSA-N 2 0 277.368 1.269 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662691212 413318325 /nfs/dbraw/zinc/31/83/25/413318325.db2.gz GYBUAJMSWDDWSZ-SNVBAGLBSA-N 2 0 282.388 1.329 10 0 CDAERP [NH3+]Cc1ccc(-c2cn([C@H]3CCC[NH2+]C3)nn2)cc1 ZINC000656467477 413326072 /nfs/dbraw/zinc/32/60/72/413326072.db2.gz DKJKXDCCKGEHIV-ZDUSSCGKSA-N 2 0 257.341 1.328 10 0 CDAERP C[NH+]1CCC(CCNC(=O)c2cc(C(C)(C)[NH3+])no2)CC1 ZINC000662698930 413336286 /nfs/dbraw/zinc/33/62/86/413336286.db2.gz VCABMSRMLYJGSI-UHFFFAOYSA-N 2 0 294.399 1.330 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654487360 413349406 /nfs/dbraw/zinc/34/94/06/413349406.db2.gz HJAOYRNDCODSIT-RJZRQDKASA-N 2 0 294.443 1.109 10 0 CDAERP CC(C)([NH3+])c1cc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)on1 ZINC000662708889 413359111 /nfs/dbraw/zinc/35/91/11/413359111.db2.gz QLJMBVFJYIVSBC-LLVKDONJSA-N 2 0 292.383 1.179 10 0 CDAERP CC[N@H+](CCNC(=O)C1([NH2+]C2CC2)CCC1)C1CC1 ZINC000662713817 413369073 /nfs/dbraw/zinc/36/90/73/413369073.db2.gz ZFHIVAZQYJNMCR-UHFFFAOYSA-N 2 0 265.401 1.262 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CC2(O)CCC(F)(F)CC2)CC[N@@H+]1C ZINC000658323799 413370265 /nfs/dbraw/zinc/37/02/65/413370265.db2.gz WHBMXQYKMUWXDY-VXGBXAGGSA-N 2 0 276.371 1.999 10 0 CDAERP [NH3+][C@H]1CCCCCC[C@H]1C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662717596 413375372 /nfs/dbraw/zinc/37/53/72/413375372.db2.gz APALFAIJDXIKIC-ICRTXTNUSA-N 2 0 265.401 1.152 10 0 CDAERP CN(C(=O)c1cccc2c1CC[NH2+]C2)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000662719872 413378914 /nfs/dbraw/zinc/37/89/14/413378914.db2.gz MCMQJUSYIFLLSB-HNNXBMFYSA-N 2 0 299.418 1.641 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)NCC[N@H+]2CCCC[C@@H]2C)CC[NH+]1C ZINC000361857653 159001817 /nfs/dbraw/zinc/00/18/17/159001817.db2.gz BXPLHJDXPWURLE-ZNMIVQPWSA-N 2 0 296.459 1.643 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000363651241 159338666 /nfs/dbraw/zinc/33/86/66/159338666.db2.gz KLULNXAGLMJXAV-SOUVJXGZSA-N 2 0 273.380 1.345 10 0 CDAERP CC[NH+](CC)C[C@@H]1CCN(C(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662747049 413420205 /nfs/dbraw/zinc/42/02/05/413420205.db2.gz QLTRVTXPMZRHCL-AWEZNQCLSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)C2([NH2+]C3CC3)CCC2)CC[N@@H+]1C ZINC000662746647 413422183 /nfs/dbraw/zinc/42/21/83/413422183.db2.gz VLLJTEMAPFVLFZ-OCCSQVGLSA-N 2 0 279.428 1.602 10 0 CDAERP CC[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](CC=C(C)C)C1)[NH+](C)C ZINC001665675598 1173035665 /nfs/dbraw/zinc/03/56/65/1173035665.db2.gz AEQVBKWQTQJZTP-CABCVRRESA-N 2 0 281.444 1.826 10 0 CDAERP CC[NH+]1CCC(N(C)CC[C@H]2CCCC[NH2+]2)CC1 ZINC000020593544 171262964 /nfs/dbraw/zinc/26/29/64/171262964.db2.gz YMTVTIOETGCUQJ-CQSZACIVSA-N 2 0 253.434 1.935 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000653214496 412141599 /nfs/dbraw/zinc/14/15/99/412141599.db2.gz XVEHUXATOJAEGZ-KBPBESRZSA-N 2 0 289.423 1.895 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000653214282 412141978 /nfs/dbraw/zinc/14/19/78/412141978.db2.gz NXMFLOOIQXQJRG-OAHLLOKOSA-N 2 0 287.407 1.412 10 0 CDAERP [NH3+]C1(CC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)CC1 ZINC000662819818 413543626 /nfs/dbraw/zinc/54/36/26/413543626.db2.gz PCKZZFCMUXVKLN-JKSUJKDBSA-N 2 0 299.418 1.601 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC[N@@H+]1C ZINC000654659347 413550666 /nfs/dbraw/zinc/55/06/66/413550666.db2.gz ATYLMKVHGRKBPD-TUVASFSCSA-N 2 0 296.459 1.451 10 0 CDAERP C[NH+](C)CCCC(C)(C)NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654663044 413557621 /nfs/dbraw/zinc/55/76/21/413557621.db2.gz DDVQOQRODPDIGC-OKILXGFUSA-N 2 0 298.475 1.746 10 0 CDAERP CC[NH+]1CCC(C[NH3+])(N(C)Cc2ccsc2)CC1 ZINC000035719029 172373130 /nfs/dbraw/zinc/37/31/30/172373130.db2.gz SSDBOKGXKDIXOQ-UHFFFAOYSA-N 2 0 267.442 1.993 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000662927236 413710522 /nfs/dbraw/zinc/71/05/22/413710522.db2.gz VRBGWWOOMXHEFL-VXGBXAGGSA-N 2 0 255.406 1.254 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659451071 413837855 /nfs/dbraw/zinc/83/78/55/413837855.db2.gz AGBJZLVCJWJPEP-ILGZHXLLSA-N 2 0 294.443 1.382 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000659543541 413949242 /nfs/dbraw/zinc/94/92/42/413949242.db2.gz QUFQFLMBJNZCPM-AGIUHOORSA-N 2 0 282.432 1.156 10 0 CDAERP CCn1ccnc1[C@@H](C)NC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659501783 413894179 /nfs/dbraw/zinc/89/41/79/413894179.db2.gz PZTZSSHXJZJEIN-VXGBXAGGSA-N 2 0 281.404 1.637 10 0 CDAERP Cc1cncc(CC[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])n1 ZINC000665274567 414007609 /nfs/dbraw/zinc/00/76/09/414007609.db2.gz SWFDGPKIYHXGRN-PBHICJAKSA-N 2 0 284.407 1.876 10 0 CDAERP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)C1 ZINC000665279369 414016970 /nfs/dbraw/zinc/01/69/70/414016970.db2.gz BBCLXPDNGVMFNU-MYMJJRTCSA-N 2 0 274.412 1.788 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cnc(C(F)(F)F)nc1 ZINC000665234523 413956923 /nfs/dbraw/zinc/95/69/23/413956923.db2.gz FDNAHDLUXCWOJF-VHSXEESVSA-N 2 0 274.290 1.712 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659558109 413968429 /nfs/dbraw/zinc/96/84/29/413968429.db2.gz CSFNRSFQCYJEAL-OAHLLOKOSA-N 2 0 292.427 1.579 10 0 CDAERP CCN(C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@H]1CC[N@H+](C)C1 ZINC000665254916 413983205 /nfs/dbraw/zinc/98/32/05/413983205.db2.gz CDKBTBROVCYFFY-MELADBBJSA-N 2 0 282.432 1.062 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000665273699 414004374 /nfs/dbraw/zinc/00/43/74/414004374.db2.gz BTEZKAYFFBSPRN-ZJIFWQFVSA-N 2 0 293.455 1.347 10 0 CDAERP CCC[NH+]1CCC(C[NH3+])(N(C)[C@@H]2CCSC2)CC1 ZINC000037174585 173009473 /nfs/dbraw/zinc/00/94/73/173009473.db2.gz MIHBKILPEZUKSH-CYBMUJFWSA-N 2 0 271.474 1.627 10 0 CDAERP COC(=O)CCC[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000037286513 173092659 /nfs/dbraw/zinc/09/26/59/173092659.db2.gz OHATTXSMXFGGMA-ZDUSSCGKSA-N 2 0 256.390 1.794 10 0 CDAERP [NH3+]CCC[N@H+](C1CCCCC1)[C@H]1CCCCNC1=O ZINC000037299852 173105550 /nfs/dbraw/zinc/10/55/50/173105550.db2.gz FVAIPODFBAHIBZ-AWEZNQCLSA-N 2 0 267.417 1.639 10 0 CDAERP CC[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)CO1 ZINC000657348021 414210611 /nfs/dbraw/zinc/21/06/11/414210611.db2.gz ITDYJFXNSPCMJY-HZPDHXFCSA-N 2 0 283.460 1.417 10 0 CDAERP COCC1(C[NH2+]C2CCN([C@H]3CCOC3)CC2)CC1 ZINC000655815509 414216816 /nfs/dbraw/zinc/21/68/16/414216816.db2.gz BMEITPZGSKLSEY-AWEZNQCLSA-N 2 0 268.401 1.256 10 0 CDAERP C[C@H]1CCCC[C@H]1[NH+]1CCC(N[C@H]2CCNC2=O)CC1 ZINC000663456121 414265290 /nfs/dbraw/zinc/26/52/90/414265290.db2.gz FHMBGWVOWBFYAG-AEGPPILISA-N 2 0 279.428 1.508 10 0 CDAERP C[C@H]1CCC[C@@H]([NH+]2CCC(N[C@H]3CCNC3=O)CC2)C1 ZINC000663456628 414265545 /nfs/dbraw/zinc/26/55/45/414265545.db2.gz LBBSLFMYHRQEJX-CFVMTHIKSA-N 2 0 279.428 1.508 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000663513102 414316475 /nfs/dbraw/zinc/31/64/75/414316475.db2.gz IGSSTSKCVSDQRR-GJZGRUSLSA-N 2 0 271.449 1.402 10 0 CDAERP COC[C@@H](C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)OC ZINC000659944554 414285467 /nfs/dbraw/zinc/28/54/67/414285467.db2.gz MHOOEZMHURCQOF-LSDHHAIUSA-N 2 0 270.417 1.598 10 0 CDAERP CN(Cc1nc2c(s1)C[NH2+]CC2)CC(C)(C)C[NH3+] ZINC000663494014 414288031 /nfs/dbraw/zinc/28/80/31/414288031.db2.gz GRQKCGBBUSNPCZ-UHFFFAOYSA-N 2 0 268.430 1.206 10 0 CDAERP CCCN(Cc1nc2c(s1)C[NH2+]CC2)[C@@H]1CC[NH2+]C1 ZINC000663495690 414291548 /nfs/dbraw/zinc/29/15/48/414291548.db2.gz PCKSJYHZXSYXHG-LLVKDONJSA-N 2 0 280.441 1.363 10 0 CDAERP CC[C@@H]1CN(Cc2nc3c(s2)C[NH2+]CC3)CC[C@@H]1[NH3+] ZINC000663496567 414294598 /nfs/dbraw/zinc/29/45/98/414294598.db2.gz WFODEBBTBIQBOW-MNOVXSKESA-N 2 0 280.441 1.348 10 0 CDAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NCC12CC(C1)C[NH2+]2 ZINC000663498259 414297562 /nfs/dbraw/zinc/29/75/62/414297562.db2.gz NYQJGJFNMGFLGM-YKWDICOMSA-N 2 0 285.435 1.849 10 0 CDAERP C[C@@H](CC(C)(C)O)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657478824 414377110 /nfs/dbraw/zinc/37/71/10/414377110.db2.gz FZNYYMUBIJPTET-LBPRGKRZSA-N 2 0 274.368 1.906 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N(C)CC1CC1 ZINC000665639085 414324347 /nfs/dbraw/zinc/32/43/47/414324347.db2.gz LPCAZHDNVSPYDN-ZDUSSCGKSA-N 2 0 284.448 1.310 10 0 CDAERP CCN(C(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12)[C@@H]1CC[N@H+](C)C1 ZINC000663717707 414424502 /nfs/dbraw/zinc/42/45/02/414424502.db2.gz YGFQPNCLQNQGCN-RBSFLKMASA-N 2 0 294.443 1.349 10 0 CDAERP CCN(C(=O)N[C@@H]1CCC[NH+](C)C1)[C@H]1CC[N@H+](CC)C1 ZINC000663775598 414453466 /nfs/dbraw/zinc/45/34/66/414453466.db2.gz ZTQXCABMWUDEQL-KGLIPLIRSA-N 2 0 282.432 1.206 10 0 CDAERP COC[C@@](C)(CCO)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000662259393 414594328 /nfs/dbraw/zinc/59/43/28/414594328.db2.gz WWFLFUPBQNETHJ-MRXNPFEDSA-N 2 0 278.396 1.209 10 0 CDAERP C([C@H]1C[NH2+]CCO1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000662262896 414597114 /nfs/dbraw/zinc/59/71/14/414597114.db2.gz YADQJSBOLXHWJM-DLBZAZTESA-N 2 0 295.471 1.563 10 0 CDAERP CC(C)[N@H+](CCc1nccs1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662280177 414611419 /nfs/dbraw/zinc/61/14/19/414611419.db2.gz YFOBYUXPTCFKLG-ZDUSSCGKSA-N 2 0 295.452 1.917 10 0 CDAERP CN(C[C@@H](O)C[N@H+](CCC1CC1)CC1CC1)C1CC1 ZINC000662178663 414554830 /nfs/dbraw/zinc/55/48/30/414554830.db2.gz ZFILUFXZROGYGX-MRXNPFEDSA-N 2 0 266.429 1.954 10 0 CDAERP C(C[N@@H+]1CC[C@@]2(C1)CCCOC2)[C@@H]1CCC[NH2+]C1 ZINC000662314268 414633215 /nfs/dbraw/zinc/63/32/15/414633215.db2.gz COKJRSLWNQMIMF-LSDHHAIUSA-N 2 0 252.402 1.879 10 0 CDAERP CCC(CC)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508095 174302593 /nfs/dbraw/zinc/30/25/93/174302593.db2.gz QIOZQZKQDAZXTD-CQSZACIVSA-N 2 0 267.417 1.319 10 0 CDAERP C[NH2+]C[C@@H]1CCC[N@@H+](C2CCC3(CC2)OCCO3)C1 ZINC000040592544 174347416 /nfs/dbraw/zinc/34/74/16/174347416.db2.gz QWWFVGITOCPUBI-ZDUSSCGKSA-N 2 0 268.401 1.604 10 0 CDAERP CCC1CCN(C2(C[NH3+])CC[NH+](CC)CC2)CC1 ZINC000042446422 174740627 /nfs/dbraw/zinc/74/06/27/174740627.db2.gz MCMJVPOFIUZHBN-UHFFFAOYSA-N 2 0 253.434 1.922 10 0 CDAERP CC(C)CN(CC[NH+](C)C)c1ccccc1C(N)=[NH2+] ZINC000042767543 174869447 /nfs/dbraw/zinc/86/94/47/174869447.db2.gz KZZUHDSYYKDMRF-UHFFFAOYSA-N 2 0 262.401 1.995 10 0 CDAERP C[C@@H]([NH3+])[C@H](c1ccco1)N1CCC([NH+](C)C)CC1 ZINC000043335166 175011357 /nfs/dbraw/zinc/01/13/57/175011357.db2.gz ANXAODBYLLHDJR-BXUZGUMPSA-N 2 0 251.374 1.694 10 0 CDAERP C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC[C@@H]1CCCC[NH2+]1 ZINC000043498728 175058141 /nfs/dbraw/zinc/05/81/41/175058141.db2.gz YIOOUPSCBPGHBG-XQQFMLRXSA-N 2 0 253.390 1.104 10 0 CDAERP CCC[NH2+][C@@H](CN1CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000043811003 175110382 /nfs/dbraw/zinc/11/03/82/175110382.db2.gz MXKQXLROYOIYLR-KRWDZBQOSA-N 2 0 291.439 1.983 10 0 CDAERP C[NH2+][C@@H](CN1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000043896864 175119120 /nfs/dbraw/zinc/11/91/20/175119120.db2.gz AIECKHFELVQFBA-INIZCTEOSA-N 2 0 261.413 1.973 10 0 CDAERP CC[NH2+][C@@H](CC)[C@H](C)N(CCOC)[C@@H](C)COC ZINC000043975872 175132642 /nfs/dbraw/zinc/13/26/42/175132642.db2.gz NRVWQCNLXOJCIV-IHRRRGAJSA-N 2 0 260.422 1.746 10 0 CDAERP C[NH+]1CCC(C[NH2+][C@@H]2COc3cc(O)ccc32)CC1 ZINC000044515748 175190081 /nfs/dbraw/zinc/19/00/81/175190081.db2.gz OVLBMNKEOHXGOG-CQSZACIVSA-N 2 0 262.353 1.757 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000044526726 175192147 /nfs/dbraw/zinc/19/21/47/175192147.db2.gz DIYNTUDMVBYWJK-HRCADAONSA-N 2 0 293.455 1.755 10 0 CDAERP CCC[NH2+]CC(=O)NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000044651324 175225123 /nfs/dbraw/zinc/22/51/23/175225123.db2.gz LVDPQDYGTMEPCT-ZDUSSCGKSA-N 2 0 255.406 1.223 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH3+])CCCCC2)C1 ZINC000044763652 175247323 /nfs/dbraw/zinc/24/73/23/175247323.db2.gz JFPBMJUWKJOYPL-CYBMUJFWSA-N 2 0 267.417 1.496 10 0 CDAERP CCC[C@H](C[NH3+])C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000044806463 175256660 /nfs/dbraw/zinc/25/66/60/175256660.db2.gz YFTYAHIYXLRWPM-OLZOCXBDSA-N 2 0 257.422 1.454 10 0 CDAERP c1cn(CCCC[NH2+]CCC[NH+]2CCCC2)cn1 ZINC000045106957 175308078 /nfs/dbraw/zinc/30/80/78/175308078.db2.gz HPKIZEMUZHWNQT-UHFFFAOYSA-N 2 0 250.390 1.739 10 0 CDAERP CC[C@H]([NH3+])c1cccc(S(=O)(=O)NC[C@@H](C)[NH+](C)C)c1 ZINC000045110273 175309781 /nfs/dbraw/zinc/30/97/81/175309781.db2.gz IGZLNDVJSZXNFK-RISCZKNCSA-N 2 0 299.440 1.325 10 0 CDAERP CC(C)COC[C@@H](O)C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000045134777 175312374 /nfs/dbraw/zinc/31/23/74/175312374.db2.gz AELWPOLNLAUCOK-CABCVRRESA-N 2 0 272.433 1.340 10 0 CDAERP CCC[NH2+][C@H]1CCN(C[C@H]2CC[N@@H+](C(C)C)C2)C1=O ZINC000045135371 175312776 /nfs/dbraw/zinc/31/27/76/175312776.db2.gz TYFXDPMOWMZFEO-KBPBESRZSA-N 2 0 267.417 1.317 10 0 CDAERP CCCC[N@H+](C)CCC[C@@](C)([NH2+]CCC)C(N)=O ZINC000045368395 175363833 /nfs/dbraw/zinc/36/38/33/175363833.db2.gz TVACMLXAHAPRLP-CQSZACIVSA-N 2 0 257.422 1.742 10 0 CDAERP CCC[NH2+][C@@](C)(CCC[N@H+](C)[C@@H](C)CC)C(N)=O ZINC000045381447 175370268 /nfs/dbraw/zinc/37/02/68/175370268.db2.gz IZAOYQCSYDLJBM-JSGCOSHPSA-N 2 0 257.422 1.741 10 0 CDAERP CC[NH2+][C@](C)(CCC[N@H+](C)[C@@H](C)C(C)(C)C)C(N)=O ZINC000045421030 175380001 /nfs/dbraw/zinc/38/00/01/175380001.db2.gz UIJGOFRRZUCGCC-SWLSCSKDSA-N 2 0 271.449 1.987 10 0 CDAERP CC(C)OCC[NH2+]CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000069869857 175858753 /nfs/dbraw/zinc/85/87/53/175858753.db2.gz CIMRNHXRTWDFAU-CYBMUJFWSA-N 2 0 258.406 1.094 10 0 CDAERP COC(=O)[C@@H](C)C[N@H+](C)C[C@@H](C[NH3+])c1ccccc1 ZINC000070941131 176015069 /nfs/dbraw/zinc/01/50/69/176015069.db2.gz IQWYJSKVSBYUAP-GXTWGEPZSA-N 2 0 264.369 1.470 10 0 CDAERP CC[NH2+][C@@H]1CCCN(C[C@@H]2CC[N@@H+](C(C)C)C2)C1=O ZINC000071035249 176024775 /nfs/dbraw/zinc/02/47/75/176024775.db2.gz AUKOIUIBAQZLPT-ZIAGYGMSSA-N 2 0 267.417 1.317 10 0 CDAERP CCC[NH2+][C@@H]1CCN([C@H](C)C[NH+]2CCCCC2)C1=O ZINC000071037384 176025957 /nfs/dbraw/zinc/02/59/57/176025957.db2.gz ZHJNKOBTZVLVCY-ZIAGYGMSSA-N 2 0 267.417 1.461 10 0 CDAERP CC[NH2+][C@H]1CCCN(C[C@H](C)[NH+]2CCCCC2)C1=O ZINC000071036400 176026089 /nfs/dbraw/zinc/02/60/89/176026089.db2.gz QNDALBYVDADNOW-KBPBESRZSA-N 2 0 267.417 1.461 10 0 CDAERP CC(C)[NH2+][C@H]1CCCN(CC[N@H+](C)C(C)C)C1=O ZINC000071042551 176028644 /nfs/dbraw/zinc/02/86/44/176028644.db2.gz QKHDHZJWUXEDEP-ZDUSSCGKSA-N 2 0 255.406 1.316 10 0 CDAERP Cc1ccc([C@@H](C)[N@H+](C)CCN2CC[NH2+]CC2)s1 ZINC000071148951 176044752 /nfs/dbraw/zinc/04/47/52/176044752.db2.gz LLTLSLMNBPJMAX-CYBMUJFWSA-N 2 0 267.442 1.955 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)[C@@H](C[NH3+])c1ccccc1F ZINC000071188081 176061933 /nfs/dbraw/zinc/06/19/33/176061933.db2.gz VRZMFWIPQIZCIH-DOMZBBRYSA-N 2 0 265.376 1.709 10 0 CDAERP CC[C@H]([NH3+])[C@H](c1ccccn1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188104 176062877 /nfs/dbraw/zinc/06/28/77/176062877.db2.gz DAOGBQMZTVUTPZ-IJEWVQPXSA-N 2 0 276.428 1.744 10 0 CDAERP CCCC1(C(=O)N(C)C[C@H]2CC[N@H+](C)C2)CC[NH2+]CC1 ZINC000071189606 176065820 /nfs/dbraw/zinc/06/58/20/176065820.db2.gz KIWSSYIGGREEHN-AWEZNQCLSA-N 2 0 281.444 1.566 10 0 CDAERP CC[NH2+][C@](C)(CCC[N@H+](C)C[C@@H]1CC[NH+](C)C1)C(=O)[O-] ZINC000071190895 176067790 /nfs/dbraw/zinc/06/77/90/176067790.db2.gz RLRSXMCOCHPNCX-DZGCQCFKSA-N 2 0 285.432 1.103 10 0 CDAERP C[NH2+]CC1(CN(C)C[C@H]2CC[N@H+](C)C2)CCCC1 ZINC000071191433 176069207 /nfs/dbraw/zinc/06/92/07/176069207.db2.gz WHWUUTNFZIFZFI-AWEZNQCLSA-N 2 0 253.434 1.650 10 0 CDAERP CCC[NH2+]Cc1cccc(N(C)C[C@@H]2CC[N@H+](C)C2)n1 ZINC000071191764 176071173 /nfs/dbraw/zinc/07/11/73/176071173.db2.gz GFDQIWKIQUFOHS-CQSZACIVSA-N 2 0 276.428 1.969 10 0 CDAERP CC[NH2+]Cc1coc(CN(C)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000071191824 176072247 /nfs/dbraw/zinc/07/22/47/176072247.db2.gz NWNSWCYLJHJHLB-CYBMUJFWSA-N 2 0 265.401 1.773 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)C[C@@H]2CC[NH+](C)C2)O1 ZINC000071192046 176073567 /nfs/dbraw/zinc/07/35/67/176073567.db2.gz BMCLZPUZAYUWSV-QLFBSQMISA-N 3 0 269.433 1.027 10 0 CDAERP C[C@H]1CC[C@@H]([NH3+])C[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071193280 176075199 /nfs/dbraw/zinc/07/51/99/176075199.db2.gz LZDMDGGLBNWERV-DGAVXFQQSA-N 2 0 267.417 1.160 10 0 CDAERP C(C[NH+]1CCCCC1)N1CCC[C@H]([NH2+]C2CC2)C1 ZINC000071200629 176077835 /nfs/dbraw/zinc/07/78/35/176077835.db2.gz DZJPNCCPNFWRDJ-HNNXBMFYSA-N 2 0 251.418 1.689 10 0 CDAERP CCC[NH2+][C@@H]1CCN([C@@H](C)C[NH+]2CCCCC2)C1 ZINC000071201504 176078069 /nfs/dbraw/zinc/07/80/69/176078069.db2.gz OGEHDXNNCFVMQM-LSDHHAIUSA-N 2 0 253.434 1.935 10 0 CDAERP CCCC[N@H+](CCO)Cc1ccc(F)cc1C[NH3+] ZINC000071263350 176097009 /nfs/dbraw/zinc/09/70/09/176097009.db2.gz HTPMUSAQCZWMLI-UHFFFAOYSA-N 2 0 254.349 1.879 10 0 CDAERP CC[NH+](CC)C[C@H](O)C[NH2+][C@H](C)Cc1cccs1 ZINC000071270855 176104193 /nfs/dbraw/zinc/10/41/93/176104193.db2.gz ARKJHFYLJHXFCY-CHWSQXEVSA-N 2 0 270.442 1.971 10 0 CDAERP CCOC(=O)CCCCC[NH2+]C[C@H]1CC[N@H+](C)C1 ZINC000071293569 176111630 /nfs/dbraw/zinc/11/16/30/176111630.db2.gz XSGLZBCXZDTKHU-CYBMUJFWSA-N 2 0 256.390 1.651 10 0 CDAERP C[C@@H]1CCC[C@@H](C(=O)NCC[N@H+](C)C2CCCC2)[NH2+]1 ZINC000071379394 176143407 /nfs/dbraw/zinc/14/34/07/176143407.db2.gz JIICOOLBWNBJKT-OCCSQVGLSA-N 2 0 267.417 1.508 10 0 CDAERP CC(C)(O)C[NH+]1CCN([C@H](C[NH3+])c2ccccc2F)CC1 ZINC000071380184 176144012 /nfs/dbraw/zinc/14/40/12/176144012.db2.gz JRDIYFUNWWXFFD-OAHLLOKOSA-N 2 0 295.402 1.214 10 0 CDAERP C[NH2+]CC1(O)CC[NH+](CCCc2ccccc2)CC1 ZINC000071589155 176217386 /nfs/dbraw/zinc/21/73/86/176217386.db2.gz VMRCJNQDNFWYIY-UHFFFAOYSA-N 2 0 262.397 1.666 10 0 CDAERP C[N@@H+](Cc1ccc(F)cc1)CC1CC[NH+](CCO)CC1 ZINC000071871544 176283924 /nfs/dbraw/zinc/28/39/24/176283924.db2.gz ZZCZRSPOSWOXKR-UHFFFAOYSA-N 2 0 280.387 1.962 10 0 CDAERP CCC[C@H](CC[NH3+])CCC(=O)NCCCC[NH+](C)C ZINC000079241204 177454308 /nfs/dbraw/zinc/45/43/08/177454308.db2.gz ODKXGJNQWWQDQU-AWEZNQCLSA-N 2 0 271.449 1.990 10 0 CDAERP C[NH2+][C@@H]1CCC(C)(C)C[C@@H]1CN1CC[NH+](CCO)CC1 ZINC000079663466 177532669 /nfs/dbraw/zinc/53/26/69/177532669.db2.gz JGFSCGHCZYLENH-HUUCEWRRSA-N 2 0 283.460 1.011 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCC(C)(C)[NH3+] ZINC000417533088 287390585 /nfs/dbraw/zinc/39/05/85/287390585.db2.gz MDHDTFOXLMDVET-VXGBXAGGSA-N 2 0 270.421 1.286 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000417929434 227209617 /nfs/dbraw/zinc/20/96/17/227209617.db2.gz IZAHMLGCVIJDEM-RUXDESIVSA-N 2 0 282.432 1.158 10 0 CDAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C[NH2+]CCC1CC1 ZINC001666620164 1173162442 /nfs/dbraw/zinc/16/24/42/1173162442.db2.gz MLXSMKKHQYNMKU-ZIAGYGMSSA-N 2 0 281.444 1.470 10 0 CDAERP C([C@H]1CCOC1)[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662250784 423789835 /nfs/dbraw/zinc/78/98/35/423789835.db2.gz NVYCQPSFFBAFAI-TZMCWYRMSA-N 2 0 266.385 1.008 10 0 CDAERP [NH3+]CC[C@@H]1CCCCN1Cc1nc2c(s1)C[NH2+]CC2 ZINC000663493524 423882019 /nfs/dbraw/zinc/88/20/19/423882019.db2.gz ISUZMZDRCSMIGY-NSHDSACASA-N 2 0 280.441 1.492 10 0 CDAERP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@H]2CCC(C)(C)O2)CCO1 ZINC000662324257 423955597 /nfs/dbraw/zinc/95/55/97/423955597.db2.gz STJTWVXIIUZIMG-HUUCEWRRSA-N 2 0 284.444 1.987 10 0 CDAERP C[C@H](NC(=O)NCCC1(C[NH3+])CC1)C(C)(C)C[NH+](C)C ZINC000652165822 423986372 /nfs/dbraw/zinc/98/63/72/423986372.db2.gz BCDYURDUGLALAG-LBPRGKRZSA-N 2 0 284.448 1.391 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000652213111 424065402 /nfs/dbraw/zinc/06/54/02/424065402.db2.gz BYPVFMOVENMGNB-INIZCTEOSA-N 2 0 298.475 1.653 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000652215879 424069705 /nfs/dbraw/zinc/06/97/05/424069705.db2.gz BUILEUOHXZOOTL-DOMZBBRYSA-N 2 0 290.411 1.203 10 0 CDAERP CC(C)[NH2+]CC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000662398137 424038438 /nfs/dbraw/zinc/03/84/38/424038438.db2.gz PBUBXFLFNQBCCM-OAHLLOKOSA-N 2 0 277.412 1.274 10 0 CDAERP CC[N@@H+]1C[C@@H](C)N(C(=O)NCCC2(C[NH3+])CC2)C[C@H]1C ZINC000652238985 424118651 /nfs/dbraw/zinc/11/86/51/424118651.db2.gz XZHPCSUIPNGZHR-CHWSQXEVSA-N 2 0 282.432 1.240 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000652223738 424101324 /nfs/dbraw/zinc/10/13/24/424101324.db2.gz MLPUMNLYFPUDSB-UONOGXRCSA-N 2 0 284.448 1.391 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)NC(C)(C)C[NH+](C)C ZINC000652291478 424196878 /nfs/dbraw/zinc/19/68/78/424196878.db2.gz WBQFPSTTYSYYJJ-UHFFFAOYSA-N 2 0 292.427 1.545 10 0 CDAERP CC(C)([NH3+])CCC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000070087823 424278961 /nfs/dbraw/zinc/27/89/61/424278961.db2.gz BMDWDIVSFSFXCJ-UHFFFAOYSA-N 2 0 281.444 1.838 10 0 CDAERP CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001667059510 1173227592 /nfs/dbraw/zinc/22/75/92/1173227592.db2.gz QVGVMKHFLHTXIH-KGLIPLIRSA-N 2 0 269.433 1.707 10 0 CDAERP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccc(C[NH3+])cc1 ZINC000662693256 424325827 /nfs/dbraw/zinc/32/58/27/424325827.db2.gz IFIAELVZDFUDLD-AWEZNQCLSA-N 2 0 289.423 1.996 10 0 CDAERP [NH3+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC000653141483 424362734 /nfs/dbraw/zinc/36/27/34/424362734.db2.gz RSWUQJDOOSQRTA-JURCDPSOSA-N 2 0 279.428 1.398 10 0 CDAERP C[C@@H]1CC[C@@H]([NH2+]CCCN2CC[NH+](C)CC2)CS1 ZINC000655693657 424406809 /nfs/dbraw/zinc/40/68/09/424406809.db2.gz GHTMGWZLTSNJEF-ZIAGYGMSSA-N 2 0 271.474 1.498 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000659623515 424429271 /nfs/dbraw/zinc/42/92/71/424429271.db2.gz DWDRWTRCPJEBKW-CQSZACIVSA-N 2 0 282.432 1.097 10 0 CDAERP C[NH+](C)CCOc1ccc(C[NH2+]CCCN2CCC2)cc1 ZINC000655755197 424443279 /nfs/dbraw/zinc/44/32/79/424443279.db2.gz SBFAWUIPVKTVQA-UHFFFAOYSA-N 2 0 291.439 1.812 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C2([NH3+])CCCCC2)C1 ZINC000655489650 424506443 /nfs/dbraw/zinc/50/64/43/424506443.db2.gz XVSOYHKATCDWAH-TXEJJXNPSA-N 2 0 253.390 1.104 10 0 CDAERP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cnc(C(F)(F)F)nc1 ZINC000665235698 424470723 /nfs/dbraw/zinc/47/07/23/424470723.db2.gz YUHREDSIGFISIJ-HTQZYQBOSA-N 2 0 262.279 1.711 10 0 CDAERP CCCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001667118150 1173235634 /nfs/dbraw/zinc/23/56/34/1173235634.db2.gz LPHBPDTXTASFEM-HUUCEWRRSA-N 2 0 283.460 1.859 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+](C)C(C)C)CC[N@@H+]1C ZINC001667570384 1173292366 /nfs/dbraw/zinc/29/23/66/1173292366.db2.gz HWNQKDMBMIPEJA-UONOGXRCSA-N 2 0 269.433 1.515 10 0 CDAERP C1CC2(C1)[NH2+]CC[C@H]2[NH2+][C@@H]1CCC12CCOCC2 ZINC000530216520 271157036 /nfs/dbraw/zinc/15/70/36/271157036.db2.gz QBEILLXYYJIFBR-CHWSQXEVSA-N 2 0 250.386 1.820 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000357398416 276259499 /nfs/dbraw/zinc/25/94/99/276259499.db2.gz YGOBLNVPVAGHGD-HZSPNIEDSA-N 2 0 267.417 1.460 10 0 CDAERP CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1CC1CC[NH2+]CC1 ZINC000261975133 276281070 /nfs/dbraw/zinc/28/10/70/276281070.db2.gz QRIOCXDPBABLGW-KGLIPLIRSA-N 2 0 284.400 1.029 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCN2C[C@H]3CC[C@@H](C2)O3)[C@H](C)C1 ZINC000343296540 276394010 /nfs/dbraw/zinc/39/40/10/276394010.db2.gz DOAPVWKKBGVBAC-WCXIOVBPSA-N 2 0 295.471 1.512 10 0 CDAERP C[C@H](CO)CCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353620377 278211789 /nfs/dbraw/zinc/21/17/89/278211789.db2.gz JSZYKHFCFIXFBZ-YJNKXOJESA-N 2 0 254.418 1.857 10 0 CDAERP CCC[C@H](C(=O)NCC1(C[NH+](C)C)CCCC1)[NH+](C)C ZINC000185899349 278921118 /nfs/dbraw/zinc/92/11/18/278921118.db2.gz XYBFDETUPBPSBK-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[NH+](C2CC2)CC1 ZINC000171480964 279264122 /nfs/dbraw/zinc/26/41/22/279264122.db2.gz HVBYCQJEELLOCZ-OAHLLOKOSA-N 2 0 279.428 1.558 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000245412704 279299567 /nfs/dbraw/zinc/29/95/67/279299567.db2.gz AVYSXZZTJJWEKG-WCVJEAGWSA-N 2 0 293.455 1.850 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)C1 ZINC000126820100 279321366 /nfs/dbraw/zinc/32/13/66/279321366.db2.gz ZDFSGNKCDQLICE-MELADBBJSA-N 2 0 294.443 1.395 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)CC1 ZINC000416823344 279480445 /nfs/dbraw/zinc/48/04/45/279480445.db2.gz HATWYMWYJPWEFR-HNNXBMFYSA-N 2 0 294.443 1.395 10 0 CDAERP CC[NH+](CC)CCNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246111538 280254985 /nfs/dbraw/zinc/25/49/85/280254985.db2.gz HUZPHSYZRGCHJD-KBPBESRZSA-N 2 0 284.448 1.452 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000518339180 281017955 /nfs/dbraw/zinc/01/79/55/281017955.db2.gz QMOTYGBWOBJXAT-BLLLJJGKSA-N 2 0 285.395 1.663 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000519818539 281043957 /nfs/dbraw/zinc/04/39/57/281043957.db2.gz CHYVHCDSCMYBDA-IHRRRGAJSA-N 2 0 267.417 1.221 10 0 CDAERP C[NH+](C)Cc1ccc(C(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000522000264 281082084 /nfs/dbraw/zinc/08/20/84/281082084.db2.gz NYLYSBWPQTULFV-ZDUSSCGKSA-N 2 0 297.349 1.475 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CC[C@H]1CC[NH2+]C1 ZINC000251898323 288293959 /nfs/dbraw/zinc/29/39/59/288293959.db2.gz WEEMZDHYIATTFA-RBSFLKMASA-N 2 0 251.418 1.545 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000251837283 288297028 /nfs/dbraw/zinc/29/70/28/288297028.db2.gz QCCNNQMOSHQSNY-ILXRZTDVSA-N 2 0 291.439 1.461 10 0 CDAERP O[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@H]1CCCO1 ZINC000527757399 281177814 /nfs/dbraw/zinc/17/78/14/281177814.db2.gz OZKJEFPGGNRJNP-DLBZAZTESA-N 2 0 296.455 1.913 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000417533537 288321620 /nfs/dbraw/zinc/32/16/20/288321620.db2.gz MWZAAGGJHXZRCZ-KBXIAJHMSA-N 2 0 296.459 1.547 10 0 CDAERP C[C@H](CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1cccc1 ZINC000531357288 281749197 /nfs/dbraw/zinc/74/91/97/281749197.db2.gz UKWKZPNSYMINJA-OAHLLOKOSA-N 2 0 294.443 1.391 10 0 CDAERP C[NH+](C)C1(CN[C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CCCC1 ZINC000262022558 282045212 /nfs/dbraw/zinc/04/52/12/282045212.db2.gz WTEMCQFOIQPVGR-OAGGEKHMSA-N 2 0 295.471 1.608 10 0 CDAERP C[C@@H]1C[C@@H](C)N(C(=O)c2ccc(C[NH3+])cc2)C[C@@H]1C[NH3+] ZINC000422544361 288484465 /nfs/dbraw/zinc/48/44/65/288484465.db2.gz UWIWJDOUCVHWNF-JMSVASOKSA-N 2 0 275.396 1.591 10 0 CDAERP C[NH+](C)CCC1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261976354 289108234 /nfs/dbraw/zinc/10/82/34/289108234.db2.gz ISFSKJPNNBJBAI-OAHLLOKOSA-N 3 0 253.434 1.650 10 0 CDAERP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333678729 289776363 /nfs/dbraw/zinc/77/63/63/289776363.db2.gz OKNQIMCGEMDUCK-AVGNSLFASA-N 2 0 268.405 1.040 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCOC(F)(F)F)[C@H]2CCC[C@@H]21 ZINC000353670732 290219164 /nfs/dbraw/zinc/21/91/64/290219164.db2.gz AXEJZGVFZUGEAU-VWYCJHECSA-N 2 0 266.307 1.985 10 0 CDAERP C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CCC[NH+](C)CC1)C2 ZINC000334313843 290316724 /nfs/dbraw/zinc/31/67/24/290316724.db2.gz ODXKEMHWJZTSRQ-GOOCMWNKSA-N 2 0 294.443 1.349 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000561259757 293070729 /nfs/dbraw/zinc/07/07/29/293070729.db2.gz SYGXCSXDOXNDMQ-HZPDHXFCSA-N 2 0 293.455 1.805 10 0 CDAERP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000567835822 293884634 /nfs/dbraw/zinc/88/46/34/293884634.db2.gz FZIKHICQESBPDC-HIFRSBDPSA-N 2 0 297.443 1.038 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)CC[NH2+]1 ZINC000570398111 294231200 /nfs/dbraw/zinc/23/12/00/294231200.db2.gz GCWOMBFXUGBRSH-AJNGGQMLSA-N 2 0 279.428 1.317 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)CCCC[NH3+])[C@@H](C)C1 ZINC000570400491 294232033 /nfs/dbraw/zinc/23/20/33/294232033.db2.gz ZNTPRCGUEANPMT-STQMWFEESA-N 2 0 255.406 1.304 10 0 CDAERP CC(C)C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+](C)C ZINC000570408847 294233941 /nfs/dbraw/zinc/23/39/41/294233941.db2.gz KMVYPLVYIORODG-ZIAGYGMSSA-N 2 0 269.433 1.421 10 0 CDAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)C(C)(C)C)C1 ZINC000570799364 294310403 /nfs/dbraw/zinc/31/04/03/294310403.db2.gz YHEANPMMHNFQKZ-CQSZACIVSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)([NH3+])c1nocc1C(=O)NCC1([NH3+])CCCCCC1 ZINC000570815994 294315457 /nfs/dbraw/zinc/31/54/57/294315457.db2.gz JKCMLEVLXIHCEE-UHFFFAOYSA-N 2 0 294.399 1.650 10 0 CDAERP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(CC[NH3+])CCc1ccccc1 ZINC000571626072 294472450 /nfs/dbraw/zinc/47/24/50/294472450.db2.gz QDIXTIIYMOCALL-ZFWWWQNUSA-N 2 0 275.396 1.014 10 0 CDAERP CC(C)([NH3+])c1nocc1C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000572422706 294620411 /nfs/dbraw/zinc/62/04/11/294620411.db2.gz GEKFBBWCNLBTNS-HNNXBMFYSA-N 2 0 292.383 1.084 10 0 CDAERP CC(C)[C@H]([NH3+])CNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000574517878 295011886 /nfs/dbraw/zinc/01/18/86/295011886.db2.gz JEILSCMLGKLOFZ-CHWSQXEVSA-N 2 0 255.406 1.350 10 0 CDAERP COc1cccc([C@H](CNC(=O)CC[C@@H](C)[NH3+])[NH+](C)C)c1 ZINC000070314657 295325608 /nfs/dbraw/zinc/32/56/08/295325608.db2.gz SZTOXILJHFJJOD-DOMZBBRYSA-N 2 0 293.411 1.542 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@](C)([NH3+])c1ccccc1 ZINC000251908758 297099607 /nfs/dbraw/zinc/09/96/07/297099607.db2.gz XADBYQSQLSHMMC-UKPHBRMFSA-N 2 0 287.407 1.556 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000417860136 297106673 /nfs/dbraw/zinc/10/66/73/297106673.db2.gz XSRHAFSLRAWALH-SYQHCUMBSA-N 2 0 282.432 1.156 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N(C)C[C@@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000422030135 300396116 /nfs/dbraw/zinc/39/61/16/300396116.db2.gz ADCAROKGMXFADN-IHRRRGAJSA-N 2 0 267.417 1.269 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]C(C)C ZINC001669207326 1173517599 /nfs/dbraw/zinc/51/75/99/1173517599.db2.gz LSWBKPLHWFPGNS-UZYOAWRESA-N 2 0 267.417 1.531 10 0 CDAERP C[C@H](C[NH2+]CC[C@H]1CCCO1)NC(=O)C[N@H+](C)C1CCC1 ZINC001669316865 1173534734 /nfs/dbraw/zinc/53/47/34/1173534734.db2.gz BAVURQUQLUWMCE-UKRRQHHQSA-N 2 0 297.443 1.134 10 0 CDAERP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000261893879 303364172 /nfs/dbraw/zinc/36/41/72/303364172.db2.gz CQVJHKATKQUSRQ-HKGGGCDWSA-N 2 0 291.439 1.398 10 0 CDAERP C[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000566090776 316472161 /nfs/dbraw/zinc/47/21/61/316472161.db2.gz MJZWEZJHCXMATJ-GUBZILKMSA-N 2 0 254.296 1.277 10 0 CDAERP COCC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000566405923 316570406 /nfs/dbraw/zinc/57/04/06/316570406.db2.gz IXUXBWPQGONPRK-HOCLYGCPSA-N 2 0 297.443 1.121 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CC2CC[NH+](C)CC2)C1 ZINC000575812636 317019937 /nfs/dbraw/zinc/01/99/37/317019937.db2.gz NXPSJMVTYAGXJV-CYBMUJFWSA-N 2 0 267.417 1.128 10 0 CDAERP NC(=O)[C@H](C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)Cc1ccc(F)cc1 ZINC000576240575 317103723 /nfs/dbraw/zinc/10/37/23/317103723.db2.gz AZXWWXKJYBADPA-CFVMTHIKSA-N 2 0 293.386 1.329 10 0 CDAERP CCCC1(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CCC1 ZINC000576576837 317164457 /nfs/dbraw/zinc/16/44/57/317164457.db2.gz KJRJZLUAQGJWLV-HNNXBMFYSA-N 2 0 283.460 1.155 10 0 CDAERP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C[NH2+]CCCF ZINC001672287210 1173762996 /nfs/dbraw/zinc/76/29/96/1173762996.db2.gz NNXOQTMHKWLEOH-KGLIPLIRSA-N 2 0 299.434 1.514 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N(C)CCC[NH+](C)C)CC1 ZINC000186309082 323406528 /nfs/dbraw/zinc/40/65/28/323406528.db2.gz HBTUKHQCNVDAMG-UHFFFAOYSA-N 2 0 298.475 1.702 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CCCOC1 ZINC000578395919 323919542 /nfs/dbraw/zinc/91/95/42/323919542.db2.gz XMPKZGGWDWQXHT-AWEZNQCLSA-N 2 0 272.352 1.844 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000578743320 324010519 /nfs/dbraw/zinc/01/05/19/324010519.db2.gz YGEFXNGKLHWTAL-UBHSHLNASA-N 2 0 261.369 1.415 10 0 CDAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CC1(C)CCCC1 ZINC000579641896 324242731 /nfs/dbraw/zinc/24/27/31/324242731.db2.gz IWGIMIFXELNLOR-UHFFFAOYSA-N 2 0 283.460 1.909 10 0 CDAERP C[C@@H]([NH3+])C[C@H](C)NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000582299804 324949127 /nfs/dbraw/zinc/94/91/27/324949127.db2.gz IHSKUTGXAJUVMQ-KBHBFKLGSA-N 2 0 282.432 1.428 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000582842693 325054742 /nfs/dbraw/zinc/05/47/42/325054742.db2.gz IVTRFHKYOUBMNY-SMDDNHRTSA-N 2 0 293.386 1.502 10 0 CDAERP c1nc(C[NH2+]CCCC[NH+]2CCOCC2)cs1 ZINC000127131084 1159218233 /nfs/dbraw/zinc/21/82/33/1159218233.db2.gz ONXOLSNKBMWLPZ-UHFFFAOYSA-N 2 0 255.387 1.345 10 0 CDAERP C[C@H](CC[NH2+]Cc1ccccc1)NC(=O)CC[NH+](C)C ZINC001699131442 1159310740 /nfs/dbraw/zinc/31/07/40/1159310740.db2.gz MJILSLRMOVUQDC-CQSZACIVSA-N 2 0 277.412 1.623 10 0 CDAERP COC[C@@H](C)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668785781 482314035 /nfs/dbraw/zinc/31/40/35/482314035.db2.gz XGODRHGBKVSYNC-KBPBESRZSA-N 2 0 258.406 1.312 10 0 CDAERP C[NH+]1CC2(C1)CCN(C(=O)c1cc(-n3ccnc3)ccn1)C2 ZINC000683907935 482542535 /nfs/dbraw/zinc/54/25/35/482542535.db2.gz GPSFYRWFHOJBMH-UHFFFAOYSA-N 2 0 297.362 1.045 10 0 CDAERP C[NH+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000672770048 482604791 /nfs/dbraw/zinc/60/47/91/482604791.db2.gz KMEQZFVAPNAVGQ-ZIAGYGMSSA-N 2 0 267.417 1.461 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC(=O)NC2CCCC2)[C@H]2CCC[C@H]21 ZINC000671751865 482639912 /nfs/dbraw/zinc/63/99/12/482639912.db2.gz XOALLUHTKZITTD-QLFBSQMISA-N 2 0 279.428 1.508 10 0 CDAERP CCn1nccc1CC[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000670074251 482689571 /nfs/dbraw/zinc/68/95/71/482689571.db2.gz MMZCNZTUJYABBT-OAHLLOKOSA-N 2 0 273.384 1.979 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCn2cncn2)[C@H]2CCC[C@@H]21 ZINC000671756483 482692573 /nfs/dbraw/zinc/69/25/73/482692573.db2.gz DJEQMVVROGZZPU-RDBSUJKOSA-N 2 0 263.389 1.131 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000389571509 482837888 /nfs/dbraw/zinc/83/78/88/482837888.db2.gz IRHABXJLNGCYEY-BARDWOONSA-N 2 0 279.428 1.508 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000228486838 482851401 /nfs/dbraw/zinc/85/14/01/482851401.db2.gz YEOKPKIKSCRMPZ-IIAWOOMASA-N 2 0 283.460 1.987 10 0 CDAERP CCO[C@@H]1C[N@H+](CCOCc2ccccc2)C[C@H]1C[NH3+] ZINC000405295865 482864557 /nfs/dbraw/zinc/86/45/57/482864557.db2.gz KSHMSFPFNCVXQB-HZPDHXFCSA-N 2 0 278.396 1.499 10 0 CDAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)CC[NH2+]C1CC1 ZINC000381059034 482876993 /nfs/dbraw/zinc/87/69/93/482876993.db2.gz JZNPDQLRRFSHNT-AWEZNQCLSA-N 2 0 289.423 1.765 10 0 CDAERP COC[C@@H](CC1CCOCC1)[NH2+]CCCC[NH+](C)C ZINC000657859912 482901810 /nfs/dbraw/zinc/90/18/10/482901810.db2.gz YVCAXNKZSGMOCG-OAHLLOKOSA-N 2 0 272.433 1.750 10 0 CDAERP Cn1cc[nH+]c1NCc1ccc(OCC[NH+](C)C)cc1 ZINC000666237855 483046743 /nfs/dbraw/zinc/04/67/43/483046743.db2.gz DLGBZIODLZZVPJ-UHFFFAOYSA-N 2 0 274.368 1.973 10 0 CDAERP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cc4n(n3)CCC4)C2)CC1 ZINC000668169464 483101885 /nfs/dbraw/zinc/10/18/85/483101885.db2.gz RUUBLDQUWJRQHM-OAHLLOKOSA-N 2 0 288.439 1.993 10 0 CDAERP COc1cc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc2c1OCCO2 ZINC000414932084 483295201 /nfs/dbraw/zinc/29/52/01/483295201.db2.gz VKWVUJDTWIJHDU-CHWSQXEVSA-N 2 0 292.379 1.826 10 0 CDAERP C[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)N[C@H]2CCC[N@@H+](C)C2)C1 ZINC000679374657 483352617 /nfs/dbraw/zinc/35/26/17/483352617.db2.gz ZJJBUTSEGKCMDR-SOUVJXGZSA-N 2 0 294.443 1.206 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)NCC[NH+](C(C)C)C(C)C ZINC000136292225 483387203 /nfs/dbraw/zinc/38/72/03/483387203.db2.gz AYTCIHUSPAZDKH-ZDUSSCGKSA-N 2 0 257.422 1.595 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000136426715 483402589 /nfs/dbraw/zinc/40/25/89/483402589.db2.gz NNMAXHIXUQJTJM-CABCVRRESA-N 2 0 277.412 1.779 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(OCC[NH3+])cc2)C1 ZINC000667810974 483442687 /nfs/dbraw/zinc/44/26/87/483442687.db2.gz JGLXIKLPQPSFKA-CYBMUJFWSA-N 2 0 292.383 1.240 10 0 CDAERP COCCC[NH+]1CCC([NH2+][C@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667827018 483451764 /nfs/dbraw/zinc/45/17/64/483451764.db2.gz LSOUUYKCBSZXRT-HZPDHXFCSA-N 2 0 282.428 1.644 10 0 CDAERP CC[C@H]1C[C@H]([NH2+]CC(=O)NCC[NH+]2CCCCCC2)CO1 ZINC000668189933 483603765 /nfs/dbraw/zinc/60/37/65/483603765.db2.gz URGRSQYJUKVECY-GJZGRUSLSA-N 2 0 297.443 1.136 10 0 CDAERP CC[C@@H](C[NH+]1CCCC1)NC(=O)N(C)CCC[NH+](C)C ZINC000680513593 483645770 /nfs/dbraw/zinc/64/57/70/483645770.db2.gz QOOAVDJJCNDLLT-AWEZNQCLSA-N 2 0 284.448 1.454 10 0 CDAERP COC[C@H](C)[N@@H+]1CC[C@@](C)(NC(=O)CCCC[NH+](C)C)C1 ZINC001671683956 1160736030 /nfs/dbraw/zinc/73/60/30/1160736030.db2.gz IBHBWPZDKXVJES-GOEBONIOSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@@H]([NH2+]Cc1cccc(F)c1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001409364647 1160822682 /nfs/dbraw/zinc/82/26/82/1160822682.db2.gz AGCJKKFDXSWBLZ-OLZOCXBDSA-N 2 0 295.402 1.760 10 0 CDAERP CC(C)C[N@H+](C)CCn1cc(C[NH2+]C(C)C)nn1 ZINC000052452689 519709206 /nfs/dbraw/zinc/70/92/06/519709206.db2.gz JVLHJIUOUBSXHB-UHFFFAOYSA-N 2 0 253.394 1.364 10 0 CDAERP CC(C)C[NH+]1CCN([C@@H](c2ccco2)[C@H](C)[NH3+])CC1 ZINC000055077229 519727569 /nfs/dbraw/zinc/72/75/69/519727569.db2.gz XCYHXLNIGPHXBY-DZGCQCFKSA-N 2 0 265.401 1.942 10 0 CDAERP CC[NH2+]CCC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000061298487 519917227 /nfs/dbraw/zinc/91/72/27/519917227.db2.gz LNFLIIBYPRGDRB-CQSZACIVSA-N 2 0 263.385 1.405 10 0 CDAERP CCC[NH2+]Cc1cc(CN(CCC)CC[NH+](C)C)on1 ZINC000052544197 519944110 /nfs/dbraw/zinc/94/41/10/519944110.db2.gz KMEVXTYNZWZRBA-UHFFFAOYSA-N 2 0 282.432 1.948 10 0 CDAERP CC[NH2+]Cc1cc(CN2CCC[N@H+](C)CC2)c(C)o1 ZINC000052424394 519986760 /nfs/dbraw/zinc/98/67/60/519986760.db2.gz HMBMKXMFWAGSBB-UHFFFAOYSA-N 2 0 265.401 1.835 10 0 CDAERP CC[NH2+][C@H](CN(CC[NH+](C)C)CC(C)C)C1CC1 ZINC000069074582 520196236 /nfs/dbraw/zinc/19/62/36/520196236.db2.gz XRSFIPFIQAVQKT-OAHLLOKOSA-N 2 0 255.450 1.894 10 0 CDAERP CCC(C)(C)[NH2+]C[C@H](C)N1CCN(CC[NH+](C)C)CC1 ZINC000061655318 521352226 /nfs/dbraw/zinc/35/22/26/521352226.db2.gz ZGCYSGQGSFYXHU-HNNXBMFYSA-N 2 0 284.492 1.332 10 0 CDAERP CC[N@H+](Cc1ccncc1)CC1(C[NH3+])CCOCC1 ZINC000052182714 521419746 /nfs/dbraw/zinc/41/97/46/521419746.db2.gz PHOCAAFGTCNOAQ-UHFFFAOYSA-N 2 0 263.385 1.659 10 0 CDAERP CC(C)CCC[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001713477359 1178592106 /nfs/dbraw/zinc/59/21/06/1178592106.db2.gz MOFBTJAFWZXQPV-CQSZACIVSA-N 2 0 269.433 1.422 10 0 CDAERP CC(C)[N@@H+]1CC[C@](C)(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001724182606 1181649155 /nfs/dbraw/zinc/64/91/55/1181649155.db2.gz CPFLSJYOXXIOLO-HIFRSBDPSA-N 2 0 267.417 1.317 10 0 CDAERP CC(C)[C@@H](CC[NH3+])CCC(=O)N[C@@H]1CC[N@H+](C)C1 ZINC000079278079 517459150 /nfs/dbraw/zinc/45/91/50/517459150.db2.gz WZGOAMHRMZCXFR-CHWSQXEVSA-N 2 0 255.406 1.208 10 0 CDAERP CC(C)[NH2+][C@](C)(C[C@H](C)N1CCC[C@@H]1C[NH+](C)C)C(N)=O ZINC000068642850 519740339 /nfs/dbraw/zinc/74/03/39/519740339.db2.gz VZBXDUKDVCOEBA-SQWLQELKSA-N 2 0 298.475 1.033 10 0 CDAERP CC(C)C[NH2+]C[C@]1(CN2CC[NH+](C(C)C)CC2)CCOC1 ZINC000051217857 519746793 /nfs/dbraw/zinc/74/67/93/519746793.db2.gz NNJQGILKERACDU-KRWDZBQOSA-N 2 0 297.487 1.665 10 0 CDAERP CC(C)C[C@@H](CN(C)C)[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000054628819 519775264 /nfs/dbraw/zinc/77/52/64/519775264.db2.gz UXQPAVYHRRMUOL-DKUMPPAJSA-N 2 0 253.434 1.917 10 0 CDAERP CC(C)[C@@H](C[NH2+]C1CC1)N1CC[NH+](C2CC2)CC1 ZINC000052371229 519794830 /nfs/dbraw/zinc/79/48/30/519794830.db2.gz YNJATQGTOYZXEU-OAHLLOKOSA-N 2 0 251.418 1.543 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@H]2CC[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000055141553 519846118 /nfs/dbraw/zinc/84/61/18/519846118.db2.gz KYEPDZNDQYRRFX-YDHLFZDLSA-N 2 0 281.444 1.741 10 0 CDAERP CCC[NH+]1CCN(C[C@H]2CC[C@@H](C[NH2+]C(C)(C)C)O2)CC1 ZINC000052422054 519858542 /nfs/dbraw/zinc/85/85/42/519858542.db2.gz UFDLTEZQEOHTKW-JKSUJKDBSA-N 2 0 297.487 1.950 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000061291508 519905678 /nfs/dbraw/zinc/90/56/78/519905678.db2.gz JRWADIWMQJHTOU-VXGBXAGGSA-N 2 0 253.390 1.118 10 0 CDAERP CCC[NH2+]C[C@@]1(CN2CC[NH+]([C@@H](C)CC)CC2)CCOC1 ZINC000055071779 519929658 /nfs/dbraw/zinc/92/96/58/519929658.db2.gz YHOIUBKNEUSENY-DLBZAZTESA-N 2 0 297.487 1.809 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)N[C@@H](C)CCC[NH+](CC)CC ZINC000061227639 519936259 /nfs/dbraw/zinc/93/62/59/519936259.db2.gz MPQGZSXKKIHLNS-KGLIPLIRSA-N 2 0 271.449 1.859 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000061267207 519936589 /nfs/dbraw/zinc/93/65/89/519936589.db2.gz VFDYHKBRAIDLMC-KGLIPLIRSA-N 2 0 269.433 1.469 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@H](C[N@H+](C)[C@@H](C)COC)O1 ZINC000052511883 519939239 /nfs/dbraw/zinc/93/92/39/519939239.db2.gz SNEJUUGXEBLBDE-BFHYXJOUSA-N 2 0 258.406 1.500 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@H](C[N@H+](CCCOC)CCOC)O1 ZINC000052543301 519952805 /nfs/dbraw/zinc/95/28/05/519952805.db2.gz UYQCHLGBPRPNIG-LSDHHAIUSA-N 2 0 288.432 1.128 10 0 CDAERP CCC[NH2+]Cc1cn(CC[N@H+](C)CC(C)C)nn1 ZINC000052452687 519958231 /nfs/dbraw/zinc/95/82/31/519958231.db2.gz BBQDFXIQNLZHAT-UHFFFAOYSA-N 2 0 253.394 1.366 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000061268294 519960075 /nfs/dbraw/zinc/96/00/75/519960075.db2.gz UUZAMUGRCWRBDI-ZDUSSCGKSA-N 2 0 267.417 1.319 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@H](COCC[NH+]2CCCCC2)O1 ZINC000052671019 519980960 /nfs/dbraw/zinc/98/09/60/519980960.db2.gz MNSAHMLRLXTWPX-HUUCEWRRSA-N 2 0 270.417 1.646 10 0 CDAERP CC[NH2+]Cc1ccc(N2CC[NH+]([C@@H](C)CC)CC2)nn1 ZINC000055073430 519998164 /nfs/dbraw/zinc/99/81/64/519998164.db2.gz HNSFEKLIENHSGX-ZDUSSCGKSA-N 2 0 277.416 1.507 10 0 CDAERP CC[NH2+]Cc1cccc(OCCOCC[NH+](C)C)c1 ZINC000052669667 520007238 /nfs/dbraw/zinc/00/72/38/520007238.db2.gz QBUOZUOUTRVXQG-UHFFFAOYSA-N 2 0 266.385 1.753 10 0 CDAERP CC[NH2+]Cc1cccnc1N1CCC[C@@H]1C[NH+](C)C ZINC000061654197 520009948 /nfs/dbraw/zinc/00/99/48/520009948.db2.gz MVGVKXPPLBWBDW-CQSZACIVSA-N 2 0 262.401 1.722 10 0 CDAERP CCC[NH2+][C@H](CN(C)[C@@H]1CCC[N@H+](C)C1)C1CC1 ZINC000069075000 520080704 /nfs/dbraw/zinc/08/07/04/520080704.db2.gz MQIFHWKNQLQTDL-HUUCEWRRSA-N 2 0 253.434 1.791 10 0 CDAERP CC[NH2+][C@H]1CCCC[C@@H]1N1CCN(CC[NH+](C)C)CC1 ZINC000061643977 520213743 /nfs/dbraw/zinc/21/37/43/520213743.db2.gz RRRWDTMPOUFDID-HOTGVXAUSA-N 2 0 282.476 1.086 10 0 CDAERP CCCO[C@@H]1CCC[N@H+](CC2(C[NH2+]C)CCOCC2)C1 ZINC000052198042 520271659 /nfs/dbraw/zinc/27/16/59/520271659.db2.gz IGPHVLUTLIXLFE-OAHLLOKOSA-N 2 0 284.444 1.894 10 0 CDAERP CC1(C)CC(NC(=O)[C@@]2(C)CCC[NH2+]C2)CC(C)(C)[NH2+]1 ZINC000062859151 520285654 /nfs/dbraw/zinc/28/56/54/520285654.db2.gz VQMVONFKNJJIGD-INIZCTEOSA-N 2 0 281.444 1.802 10 0 CDAERP CCCCNC(=O)C[N@H+](CCC[NH3+])C1CCCCC1 ZINC000049280008 520612115 /nfs/dbraw/zinc/61/21/15/520612115.db2.gz IUSSEROQCBMHHS-UHFFFAOYSA-N 2 0 269.433 1.886 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@H]1CCC[C@@H]([NH3+])[C@@H]1C ZINC000055123408 520618423 /nfs/dbraw/zinc/61/84/23/520618423.db2.gz GENZPTVYKITAKR-HZSPNIEDSA-N 2 0 269.433 1.598 10 0 CDAERP CC[NH+](CC)CCNC(=O)[C@H]1CCC[C@H]([NH3+])[C@@H]1C ZINC000055122980 520680905 /nfs/dbraw/zinc/68/09/05/520680905.db2.gz WPFZEPVKGJNZRP-AGIUHOORSA-N 2 0 255.406 1.208 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050951997 520714527 /nfs/dbraw/zinc/71/45/27/520714527.db2.gz MEQHJUGUYMEQFM-ZIAGYGMSSA-N 2 0 269.433 1.755 10 0 CDAERP CCCCOCCN1CC[NH+](CCCC[NH3+])CC1 ZINC000049261677 520763160 /nfs/dbraw/zinc/76/31/60/520763160.db2.gz BWZWYYMVDZMYTO-UHFFFAOYSA-N 2 0 257.422 1.160 10 0 CDAERP CCC[C@@]1(C(=O)NC2CCC([NH3+])CC2)CCC[NH2+]C1 ZINC000062860895 520942473 /nfs/dbraw/zinc/94/24/73/520942473.db2.gz BXBAEAMYZUPZAU-SSDMNJCBSA-N 2 0 267.417 1.542 10 0 CDAERP CCC[C@@]1(C(=O)NCC(C)(C)[NH+](C)C)CCC[NH2+]C1 ZINC000062859091 520942752 /nfs/dbraw/zinc/94/27/52/520942752.db2.gz NGICHDIOZUILSV-OAHLLOKOSA-N 2 0 269.433 1.613 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@H](C)[C@@H]2[NH3+])CC1 ZINC000055140048 521549739 /nfs/dbraw/zinc/54/97/39/521549739.db2.gz SVMROQLMHIMAQY-CFVMTHIKSA-N 2 0 281.444 1.598 10 0 CDAERP CCC[NH+](CCC)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000119703871 521643429 /nfs/dbraw/zinc/64/34/29/521643429.db2.gz FQNICABFYOCBDE-UHFFFAOYSA-N 2 0 281.444 1.851 10 0 CDAERP CC[NH+]1CCN(Cc2csc(C[NH2+]C)n2)CC1 ZINC000052422143 521689523 /nfs/dbraw/zinc/68/95/23/521689523.db2.gz FRNDRSNIUUMIJR-UHFFFAOYSA-N 2 0 254.403 1.000 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1[C@]1(C[NH3+])CCCSC1 ZINC000061642784 521842948 /nfs/dbraw/zinc/84/29/48/521842948.db2.gz YMOZJJMQQDSGNQ-STQMWFEESA-N 2 0 257.447 1.237 10 0 CDAERP C[NH2+]CC1(CN(C)C2CC[NH+](C)CC2)CCOCC1 ZINC000052181046 521966504 /nfs/dbraw/zinc/96/65/04/521966504.db2.gz IBDDLHOMOCZHKI-UHFFFAOYSA-N 2 0 269.433 1.029 10 0 CDAERP C[NH2+]C[C@@H]1CC[C@@H](CN2CC[NH+](CC(C)C)CC2)O1 ZINC000055082783 522059050 /nfs/dbraw/zinc/05/90/50/522059050.db2.gz MWMNUMUCGAIAIR-GJZGRUSLSA-N 2 0 269.433 1.027 10 0 CDAERP C[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)Cc2ccc(OC)cc2)O1 ZINC000052541671 522059820 /nfs/dbraw/zinc/05/98/20/522059820.db2.gz YGONPDVYSSXXDQ-JKSUJKDBSA-N 2 0 278.396 1.894 10 0 CDAERP C[NH2+]C[C@H]1CC[C@@H](C[N@@H+]2CCc3sccc3C2)O1 ZINC000052416589 522093922 /nfs/dbraw/zinc/09/39/22/522093922.db2.gz TWPABVDMZZUTKR-OLZOCXBDSA-N 2 0 266.410 1.873 10 0 CDAERP C[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2ccc(C)o2)O1 ZINC000052455883 522094263 /nfs/dbraw/zinc/09/42/63/522094263.db2.gz CBLJAALYKJNULJ-OCCSQVGLSA-N 2 0 252.358 1.787 10 0 CDAERP CC[C@@H](C)[NH+]1CCN([C@@H](C[NH3+])c2cccnc2)CC1 ZINC000055064057 522128217 /nfs/dbraw/zinc/12/82/17/522128217.db2.gz RSLNKHIJXORBON-HIFRSBDPSA-N 2 0 262.401 1.498 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(c2cnc(C(C)C)nc2C[NH3+])CC1 ZINC000055073596 522137125 /nfs/dbraw/zinc/13/71/25/522137125.db2.gz SGVLCKBCTNXNTB-CYBMUJFWSA-N 2 0 291.443 1.979 10 0 CDAERP C[NH2+]Cc1ccccc1CN1CC[NH+](CC2CC2)CC1 ZINC000052372531 522137269 /nfs/dbraw/zinc/13/72/69/522137269.db2.gz YDJZVKVZWFAANB-UHFFFAOYSA-N 2 0 273.424 1.934 10 0 CDAERP C[NH2+][C@@H]1CCCC[C@H]1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000062970587 522376880 /nfs/dbraw/zinc/37/68/80/522376880.db2.gz AKZGDMMDTKJXLN-HRCADAONSA-N 2 0 265.445 1.935 10 0 CDAERP CN[C@@](C)(CCC[NH+]1CCC(C[NH+](C)C)CC1)C(=O)OC ZINC000045422134 522407695 /nfs/dbraw/zinc/40/76/95/522407695.db2.gz MTIHPTNMVWNNPV-INIZCTEOSA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@@H]([NH3+])[C@H](c1cnn(C)c1)N1CCC[C@@H]1C[NH+](C)C ZINC000061641979 522654846 /nfs/dbraw/zinc/65/48/46/522654846.db2.gz ROYCUWMDSPQPAR-KFWWJZLASA-N 2 0 279.432 1.225 10 0 CDAERP CN(CC[NH+]1CCCC1)[C@@H]1CCCCC[C@@H]1C[NH3+] ZINC000063051067 522831817 /nfs/dbraw/zinc/83/18/17/522831817.db2.gz SBHGJRNPONFZAW-HUUCEWRRSA-N 2 0 253.434 1.922 10 0 CDAERP C[N@H+](CCN1CCC[NH2+]CC1)Cc1ccc(F)cc1 ZINC000061275200 522832434 /nfs/dbraw/zinc/83/24/34/522832434.db2.gz OTYSKYIJASJYFB-UHFFFAOYSA-N 2 0 265.376 1.553 10 0 CDAERP CC[C@]1(C(=O)N2CCC([NH+]3CCCC3)CC2)CC[NH2+]C1 ZINC000062897260 523534593 /nfs/dbraw/zinc/53/45/93/523534593.db2.gz DPEHUZYBJIAUHP-INIZCTEOSA-N 2 0 279.428 1.463 10 0 CDAERP COCCN(CCC[NH+](C)C)C(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050948004 523693748 /nfs/dbraw/zinc/69/37/48/523693748.db2.gz BIFFPLCFBSCOMG-OAHLLOKOSA-N 2 0 299.459 1.335 10 0 CDAERP C[NH+]1CCC(Oc2cc(C(N)=[NH2+])c3ccccc3n2)CC1 ZINC000068798304 523781257 /nfs/dbraw/zinc/78/12/57/523781257.db2.gz PXYORQAOSJAZNO-UHFFFAOYSA-N 2 0 284.363 1.992 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)C[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000055131994 523948997 /nfs/dbraw/zinc/94/89/97/523948997.db2.gz PZBZAQIIGOZXTE-ZNMIVQPWSA-N 2 0 281.444 1.837 10 0 CDAERP CC[C@H](C)[NH+]1CCN([C@]2(C[NH3+])CC[N@@H+](C(C)C)C2)CC1 ZINC000055064455 523959090 /nfs/dbraw/zinc/95/90/90/523959090.db2.gz QNMRKERDYUZBGE-HOTGVXAUSA-N 3 0 282.476 1.214 10 0 CDAERP C[C@@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000055138529 524301955 /nfs/dbraw/zinc/30/19/55/524301955.db2.gz OJZUFVQDVAPWKJ-XJFOESAGSA-N 2 0 267.417 1.208 10 0 CDAERP Cc1ccc([C@@H](C[NH3+])N2CC[NH+](CC(C)C)CC2)o1 ZINC000055077445 525756412 /nfs/dbraw/zinc/75/64/12/525756412.db2.gz RNFOMAVGEARXMI-CQSZACIVSA-N 2 0 265.401 1.861 10 0 CDAERP C[N@H+](C[C@@H](O)CC(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000307932831 536417551 /nfs/dbraw/zinc/41/75/51/536417551.db2.gz GFFFXMHEJWNDSL-MBYGNEARSA-N 2 0 280.334 1.857 10 0 CDAERP NC(=[NH2+])C[C@@H](c1ccccc1)[N@@H+]1CCCC[C@@H]1CO ZINC000055023116 526816387 /nfs/dbraw/zinc/81/63/87/526816387.db2.gz JCFVXBYBBWPKPY-KGLIPLIRSA-N 2 0 261.369 1.901 10 0 CDAERP NC(=O)c1ccccc1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070170680 527194344 /nfs/dbraw/zinc/19/43/44/527194344.db2.gz FYQBBQOTYUOLNK-GFCCVEGCSA-N 2 0 261.369 1.346 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@H](C(=O)NCC[NH+]2CCCCC2)C1 ZINC000055162459 527215651 /nfs/dbraw/zinc/21/56/51/527215651.db2.gz QSLFFEHJTDCFBM-KGLIPLIRSA-N 2 0 267.417 1.354 10 0 CDAERP [NH3+]C[C@H]1CC[C@H](CN2CC[NH+](C3CCCC3)CC2)O1 ZINC000052573512 527241065 /nfs/dbraw/zinc/24/10/65/527241065.db2.gz OUNXTZHPBZBXEX-HUUCEWRRSA-N 2 0 267.417 1.053 10 0 CDAERP O[C@@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)C1CC1 ZINC000069092163 527646823 /nfs/dbraw/zinc/64/68/23/527646823.db2.gz ROLAQVKWRYFYOT-HNNXBMFYSA-N 2 0 252.402 1.565 10 0 CDAERP CCCNC(=O)C1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261720154 535014105 /nfs/dbraw/zinc/01/41/05/535014105.db2.gz FWXZKAIAVGWZMR-OAHLLOKOSA-N 2 0 267.417 1.224 10 0 CDAERP CCCN(C(=O)NC[C@@H]([NH3+])c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000418404615 535219127 /nfs/dbraw/zinc/21/91/27/535219127.db2.gz AGXKEPUNCYLJJO-HUUCEWRRSA-N 2 0 290.411 1.470 10 0 CDAERP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000182920609 535949698 /nfs/dbraw/zinc/94/96/98/535949698.db2.gz CKWVNGLXGNHKNI-ZFWWWQNUSA-N 2 0 283.460 1.940 10 0 CDAERP CC[C@H]([NH3+])C(=O)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186566560 536138934 /nfs/dbraw/zinc/13/89/34/536138934.db2.gz FPEHTAFYJFEZQA-GJZGRUSLSA-N 2 0 290.411 1.290 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001689878141 1175291536 /nfs/dbraw/zinc/29/15/36/1175291536.db2.gz YWNDCKHEKWZLBO-CQSZACIVSA-N 2 0 281.444 1.566 10 0 CDAERP C[C@@H]([NH2+]CCCO)[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001689906224 1175302339 /nfs/dbraw/zinc/30/23/39/1175302339.db2.gz RXIKLOZWIWUMLZ-CABCVRRESA-N 2 0 299.459 1.070 10 0 CDAERP C[C@H](C[NH2+]C[C@H](O)CC(C)(C)O)C[NH+]1CCCCC1 ZINC000872201206 620696781 /nfs/dbraw/zinc/69/67/81/620696781.db2.gz SLUVAIJHOFROKI-ZIAGYGMSSA-N 2 0 272.433 1.220 10 0 CDAERP CCc1nncn1CC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925514754 617421376 /nfs/dbraw/zinc/42/13/76/617421376.db2.gz LQMKZEHSGBXWGI-RYUDHWBXSA-N 2 0 265.405 1.336 10 0 CDAERP [NH3+][C@H]1C[C@@H]([NH2+]CCCOCC2CCOCC2)C12CCC2 ZINC000925510963 617413791 /nfs/dbraw/zinc/41/37/91/617413791.db2.gz CVAQCWCVPQNKPB-LSDHHAIUSA-N 2 0 282.428 1.679 10 0 CDAERP COCCOCCC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925518797 617429258 /nfs/dbraw/zinc/42/92/58/617429258.db2.gz KFRSBDLWTQJEAT-HOTGVXAUSA-N 2 0 284.444 1.797 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000926710811 617463666 /nfs/dbraw/zinc/46/36/66/617463666.db2.gz CVZNQCQJHJIUEA-ZBBUEOHVSA-N 2 0 250.386 1.220 10 0 CDAERP C[C@H]1CC2(CC([NH2+]CCCN3CC[NH+](C)CC3)C2)CO1 ZINC000924579780 617543219 /nfs/dbraw/zinc/54/32/19/617543219.db2.gz ZMWOMIGCGCARKK-FHERZECASA-N 2 0 281.444 1.171 10 0 CDAERP CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925626890 617573140 /nfs/dbraw/zinc/57/31/40/617573140.db2.gz UWASXROILSTIEI-UPJWGTAASA-N 2 0 254.418 1.889 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc2c(c1)C[C@@H](C)O2 ZINC000925830904 617851012 /nfs/dbraw/zinc/85/10/12/617851012.db2.gz IHFHNEKYUPWBEK-DOMZBBRYSA-N 2 0 278.396 1.854 10 0 CDAERP CC1(C)[C@H]([NH2+]C[C@H]2CC[C@H](O)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925648440 617591092 /nfs/dbraw/zinc/59/10/92/617591092.db2.gz BMMXVQRSNMESIP-PDWCTOEPSA-N 2 0 252.402 1.514 10 0 CDAERP CC(=O)N1CCC[C@H](C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925661294 617606476 /nfs/dbraw/zinc/60/64/76/617606476.db2.gz CXIRPJYVCHKLKV-KFWWJZLASA-N 2 0 281.444 1.741 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925786540 617709796 /nfs/dbraw/zinc/70/97/96/617709796.db2.gz PMZWDYMQGYSENW-KBMXLJTQSA-N 3 0 261.413 1.912 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1N[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925700469 617741718 /nfs/dbraw/zinc/74/17/18/617741718.db2.gz QEXYBXGJSVEZFO-POQQGIQPSA-N 2 0 251.418 1.351 10 0 CDAERP C1CCC([C@H]2C[NH2+]CC[C@@H]2N[C@H]2CCC[NH2+]C2)C1 ZINC000925700839 617746698 /nfs/dbraw/zinc/74/66/98/617746698.db2.gz WUEVTRSYQDEELI-ZNMIVQPWSA-N 2 0 251.418 1.496 10 0 CDAERP COC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)C1CCOCC1 ZINC000925704569 617776486 /nfs/dbraw/zinc/77/64/86/617776486.db2.gz HSFMZIDYXGLCGE-MELADBBJSA-N 2 0 268.401 1.288 10 0 CDAERP CC1(C)[C@H]([NH2+][C@@H]2CO[C@H](C3CC3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925716346 617833927 /nfs/dbraw/zinc/83/39/27/617833927.db2.gz DKINAFQZOPVOCJ-AIEDFZFUSA-N 2 0 264.413 1.920 10 0 CDAERP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC000925826930 617837678 /nfs/dbraw/zinc/83/76/78/617837678.db2.gz QLECCHYUWFMYFN-ZIAGYGMSSA-N 2 0 282.428 1.286 10 0 CDAERP CCN1CC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000926858205 617860994 /nfs/dbraw/zinc/86/09/94/617860994.db2.gz LVACYWDIHXVDDP-UYTSQGDYSA-N 2 0 281.444 1.312 10 0 CDAERP COC(=O)C1=CC[C@@H]([NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000925723406 617881719 /nfs/dbraw/zinc/88/17/19/617881719.db2.gz QSQARVVZBYGXHI-MQYQWHSLSA-N 2 0 278.396 1.614 10 0 CDAERP C[C@@H](NCCc1cccc2c1OCCO2)[C@@H]1CCC[NH2+]1 ZINC000925874035 617940603 /nfs/dbraw/zinc/94/06/03/617940603.db2.gz GSEYDHVOKVBMNT-OCCSQVGLSA-N 2 0 276.380 1.730 10 0 CDAERP CC1(C)[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925880904 617964323 /nfs/dbraw/zinc/96/43/23/617964323.db2.gz WRQDITLOHYETQC-XHJNMGKDSA-N 3 0 251.418 1.480 10 0 CDAERP C[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)CC1 ZINC000928098904 618498118 /nfs/dbraw/zinc/49/81/18/618498118.db2.gz ZWWVDJGRXRQZDG-KGLIPLIRSA-N 2 0 297.468 1.024 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H](O)C1CCCCC1 ZINC000924925165 618757354 /nfs/dbraw/zinc/75/73/54/618757354.db2.gz APPDRUHKGWLDLR-QGPPMGRFSA-N 2 0 266.429 1.857 10 0 CDAERP C[C@@H]1COC[C@@H](C)C1[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000925040678 618825954 /nfs/dbraw/zinc/82/59/54/618825954.db2.gz KGPMUQOKHNJMMS-RBSFLKMASA-N 2 0 295.471 1.416 10 0 CDAERP COC(=O)[C@@H]1[C@@H](C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)C1(F)F ZINC000894767391 619052095 /nfs/dbraw/zinc/05/20/95/619052095.db2.gz XFKYKCXFVBBSBF-TUAOUCFPSA-N 2 0 290.354 1.361 10 0 CDAERP C[C@@H]1[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[N@@H+]1C ZINC000928441567 619085896 /nfs/dbraw/zinc/08/58/96/619085896.db2.gz SNGNLWPXJUKMEG-ZIAGYGMSSA-N 2 0 281.444 1.707 10 0 CDAERP COC(=O)[C@@H]1[C@H](C[NH2+]CCCC[N@H+](C)C2CC2)C1(F)F ZINC000894965701 619164663 /nfs/dbraw/zinc/16/46/63/619164663.db2.gz GJCBVDXWQNLHFI-RYUDHWBXSA-N 2 0 290.354 1.505 10 0 CDAERP COC(=O)[C@@H]1[C@@H](C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)C1(F)F ZINC000894986092 619185367 /nfs/dbraw/zinc/18/53/67/619185367.db2.gz RGBVTYIBAZXMCY-TUAOUCFPSA-N 2 0 290.354 1.362 10 0 CDAERP CCc1nccn1[C@H](C)CC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928555583 619364725 /nfs/dbraw/zinc/36/47/25/619364725.db2.gz USDLCWCISATZMB-NEPJUHHUSA-N 2 0 264.373 1.217 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000925322309 621533747 /nfs/dbraw/zinc/53/37/47/621533747.db2.gz PBJHPGNPVCNZLG-UKRRQHHQSA-N 2 0 296.459 1.595 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCOC2CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000927076601 621685865 /nfs/dbraw/zinc/68/58/65/621685865.db2.gz KFZBSVUNWHMDCN-JYJNAYRXSA-N 2 0 282.428 1.644 10 0 CDAERP C[NH+](C)CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000899920138 622530149 /nfs/dbraw/zinc/53/01/49/622530149.db2.gz KYEWBYZJVUTMRR-STQMWFEESA-N 2 0 253.390 1.071 10 0 CDAERP C1C[C@@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)[C@@H]([C@H]2CCCC[NH2+]2)C1 ZINC000902463055 624854831 /nfs/dbraw/zinc/85/48/31/624854831.db2.gz ZDCZOMJCNJBBJV-VIAGDVCTSA-N 2 0 263.429 1.780 10 0 CDAERP c1cn(CCC[N@@H+]2CC[C@H](Nc3ncccn3)C2)cn1 ZINC000903021357 625794514 /nfs/dbraw/zinc/79/45/14/625794514.db2.gz SPRKSIHJUTUQFK-ZDUSSCGKSA-N 2 0 272.356 1.250 10 0 CDAERP C[C@@H]1[C@H](N[C@@H]2CC[NH+](C)[C@@H]3CCC[C@H]32)CC[N@@H+]1C ZINC000903300125 625959361 /nfs/dbraw/zinc/95/93/61/625959361.db2.gz GVNXXDOUTNUBPY-XLWJZTARSA-N 2 0 251.418 1.541 10 0 CDAERP CC(C)[C@H](C)NC(=O)C1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903435459 625991274 /nfs/dbraw/zinc/99/12/74/625991274.db2.gz URTQTZLMCXDMFP-LZWOXQAQSA-N 2 0 295.471 1.987 10 0 CDAERP CCO[C@@H]1C[C@@H](O)C12CC[NH+](C[C@@H]1C[NH2+]C[C@H]1C)CC2 ZINC000903438969 625992134 /nfs/dbraw/zinc/99/21/34/625992134.db2.gz AAKQRHUJLBKTCE-LXTVHRRPSA-N 2 0 282.428 1.094 10 0 CDAERP CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903439963 625992665 /nfs/dbraw/zinc/99/26/65/625992665.db2.gz RSYHRPUKTMSGCT-QXSJWSMHSA-N 2 0 281.444 1.835 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(S(N)(=O)=O)cc1 ZINC000903459202 625994733 /nfs/dbraw/zinc/99/47/33/625994733.db2.gz RTSWKQBWNNOIED-LOWVWBTDSA-N 2 0 297.424 1.112 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCS[C@H]3COCC[C@H]32)C1 ZINC000903460652 625995884 /nfs/dbraw/zinc/99/58/84/625995884.db2.gz GZAIURNPSKDGEE-LOWDOPEQSA-N 2 0 256.415 1.320 10 0 CDAERP COc1ccnc(N2CC[NH+](C[C@@H]3CC[C@H]([NH3+])C3)CC2)c1 ZINC000903444708 625998510 /nfs/dbraw/zinc/99/85/10/625998510.db2.gz VBUKYDYRDOETTC-KGLIPLIRSA-N 2 0 290.411 1.340 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CC[N@H+](C)CC12CCCCC2 ZINC000903445595 625999101 /nfs/dbraw/zinc/99/91/01/625999101.db2.gz MGHLWLSFDSDGNW-CABCVRRESA-N 2 0 265.445 1.792 10 0 CDAERP [NH3+][C@@H]1CC[C@H](CN2CC[NH2+]C[C@@H]2c2cccnc2)C1 ZINC000903449461 626000254 /nfs/dbraw/zinc/00/02/54/626000254.db2.gz BSSGDHKARKIBKZ-NWANDNLSSA-N 2 0 260.385 1.155 10 0 CDAERP C[C@H](C(=O)NC(C)(C)C)[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903457515 626002673 /nfs/dbraw/zinc/00/26/73/626002673.db2.gz VRQBZTKWNVQPRB-UTUOFQBUSA-N 2 0 255.406 1.349 10 0 CDAERP CN1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)Cc2cccnc21 ZINC000903476162 626004820 /nfs/dbraw/zinc/00/48/20/626004820.db2.gz OUXMPRSWMFAQAR-OCCSQVGLSA-N 2 0 260.385 1.461 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCC(C)C)C2 ZINC000903491106 626010507 /nfs/dbraw/zinc/01/05/07/626010507.db2.gz VLBUUFIVSQSKKD-SCRDCRAPSA-N 2 0 254.374 1.245 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)N(C)C2CCC(C)CC2)C[C@H]1CC[NH3+] ZINC000903496278 626011909 /nfs/dbraw/zinc/01/19/09/626011909.db2.gz HVKUAMZIKAQJQO-LVDPKSTMSA-N 2 0 295.471 1.940 10 0 CDAERP C[C@@]1(C2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)COC(=O)N1 ZINC000903563721 626020418 /nfs/dbraw/zinc/02/04/18/626020418.db2.gz KEZNUQIRRKJJQQ-WFASDCNBSA-N 2 0 281.400 1.197 10 0 CDAERP C([C@@H]1C[C@H]2C[C@H]2C1)[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903818706 626102262 /nfs/dbraw/zinc/10/22/62/626102262.db2.gz ULHSIUJHJGEXDV-QDMKHBRRSA-N 2 0 264.413 1.877 10 0 CDAERP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[N@@H+]1CCCSC[C@@H]1C1CC1 ZINC000903827448 626105714 /nfs/dbraw/zinc/10/57/14/626105714.db2.gz SYGZATARKNRDQY-XHSDSOJGSA-N 2 0 296.480 1.973 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@H+](C)C(C2CC2)C2CC2)cnn1C ZINC000903888685 626123731 /nfs/dbraw/zinc/12/37/31/626123731.db2.gz JCUOCUBERWJHKO-CYBMUJFWSA-N 2 0 290.455 1.966 10 0 CDAERP CCCN(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CC[NH2+]C1 ZINC000903874251 626128634 /nfs/dbraw/zinc/12/86/34/626128634.db2.gz WEDWGGVFDCEEEN-JALIKCBVSA-N 2 0 251.418 1.591 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CC[C@@H](C)C2)cnn1C ZINC000903886650 626133528 /nfs/dbraw/zinc/13/35/28/626133528.db2.gz SQFOZQLGBGFLDB-YPMHNXCESA-N 2 0 250.390 1.188 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@H+](C)CC2CC2)cnn1C ZINC000903886839 626133630 /nfs/dbraw/zinc/13/36/30/626133630.db2.gz UGSDADSVEFMBET-CYBMUJFWSA-N 2 0 250.390 1.188 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)C[C@@H]2CCCCO2)cnn1C ZINC000903887053 626134001 /nfs/dbraw/zinc/13/40/01/626134001.db2.gz WYQJAVHTLINGBE-HOCLYGCPSA-N 2 0 294.443 1.347 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C[C@H]([NH3+])CC(F)F)[C@H](C)C1 ZINC000903896137 626136526 /nfs/dbraw/zinc/13/65/26/626136526.db2.gz SMUFEKDIRPIXPP-UTUOFQBUSA-N 2 0 263.376 1.631 10 0 CDAERP CCC(C)(CC)[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903900002 626138155 /nfs/dbraw/zinc/13/81/55/626138155.db2.gz XRMDOMINFBYXQM-LBPRGKRZSA-N 2 0 265.405 1.871 10 0 CDAERP CO[C@@H]1C[N@H+](C[C@H](C[NH3+])Cc2cnn(C)c2C)CC[C@@H]1C ZINC000903911080 626143947 /nfs/dbraw/zinc/14/39/47/626143947.db2.gz WIBRDKWIBYPSTN-DUVNUKRYSA-N 2 0 294.443 1.203 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCSC[C@@H](C)C2)cnn1C ZINC000903913108 626145626 /nfs/dbraw/zinc/14/56/26/626145626.db2.gz MOQRNLDZARGPIU-JSGCOSHPSA-N 2 0 296.484 1.531 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000903918793 626146714 /nfs/dbraw/zinc/14/67/14/626146714.db2.gz ICOFUOMOCDXSDC-RXORNSNFSA-N 3 0 285.435 1.938 10 0 CDAERP COC(=O)C(C)(C)C[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903928188 626150026 /nfs/dbraw/zinc/15/00/26/626150026.db2.gz XGRKXZXRUSNKHP-YOGCLGLASA-N 2 0 254.374 1.306 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)cnn1C ZINC000903929610 626150558 /nfs/dbraw/zinc/15/05/58/626150558.db2.gz HSACDAVPVRMODW-HRCADAONSA-N 2 0 290.455 1.968 10 0 CDAERP Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903932601 626152533 /nfs/dbraw/zinc/15/25/33/626152533.db2.gz SPMVLJZMRWWZEL-ONGXEEELSA-N 2 0 285.338 1.335 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[NH2+][C@@H]2CCCC[C@@H]2F)cnn1C ZINC000903935700 626153750 /nfs/dbraw/zinc/15/37/50/626153750.db2.gz SMSCXIWCOVXKBZ-VHDGCEQUSA-N 2 0 282.407 1.716 10 0 CDAERP CCC1([NH3+])CCN(Cc2nc3c(s2)C[NH2+]CC3)CC1 ZINC000903946000 626163703 /nfs/dbraw/zinc/16/37/03/626163703.db2.gz COMVXLNIPNASLJ-UHFFFAOYSA-N 2 0 280.441 1.492 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1N[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000903963934 626171068 /nfs/dbraw/zinc/17/10/68/626171068.db2.gz JWJAVIMHPQBYGE-SYAUCNOPSA-N 2 0 259.397 1.677 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000903964525 626171244 /nfs/dbraw/zinc/17/12/44/626171244.db2.gz KNEYHOHFQYZAMZ-RDBSUJKOSA-N 2 0 260.381 1.998 10 0 CDAERP COc1cccc2c1CC[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)C2 ZINC000903967045 626172184 /nfs/dbraw/zinc/17/21/84/626172184.db2.gz FLHIEOJTUXSKCM-SNPRPXQTSA-N 2 0 274.408 1.998 10 0 CDAERP CC(C)[C@H](C[NH3+])CN1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903984313 626173505 /nfs/dbraw/zinc/17/35/05/626173505.db2.gz TULJAVODZJWJBE-OUAUKWLOSA-N 2 0 267.339 1.429 10 0 CDAERP CC(C)(/C=C\Cl)[NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000903987967 626174731 /nfs/dbraw/zinc/17/47/31/626174731.db2.gz LLTCRYQVCSNIRQ-ISALQUGTSA-N 2 0 273.808 1.304 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=[NH2+])NC[C@@H]1CCCS1 ZINC000905040318 626379986 /nfs/dbraw/zinc/37/99/86/626379986.db2.gz AXZCCNPQIOZYQJ-STQMWFEESA-N 2 0 284.473 1.870 10 0 CDAERP C[NH+](C)CCCCNC(=[NH2+])NC[C@H]1CCCS1 ZINC000905041383 626380807 /nfs/dbraw/zinc/38/08/07/626380807.db2.gz ICODGZHUPDZGCQ-LLVKDONJSA-N 2 0 258.435 1.338 10 0 CDAERP NC1(c2noc([C@H]3CCC[N@H+](Cc4cccnc4)C3)n2)CC1 ZINC000905318172 626746248 /nfs/dbraw/zinc/74/62/48/626746248.db2.gz DNDXKNWIJFEIDS-ZDUSSCGKSA-N 2 0 299.378 1.792 10 0 CDAERP C[NH2+][C@H](C)Cc1noc(C(C)(C)[C@H]([NH3+])C(C)C)n1 ZINC000905303419 626755523 /nfs/dbraw/zinc/75/55/23/626755523.db2.gz ALSFJSFHNBOJQB-MWLCHTKSSA-N 2 0 254.378 1.481 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC000908250689 628094625 /nfs/dbraw/zinc/09/46/25/628094625.db2.gz QLIFZACPRFLEEC-ZDUSSCGKSA-N 2 0 267.417 1.319 10 0 CDAERP C[N@@H+]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C(C)(C)C ZINC000912026957 629720630 /nfs/dbraw/zinc/72/06/30/629720630.db2.gz LSCNUAXQSRZECO-CYBMUJFWSA-N 2 0 279.428 1.271 10 0 CDAERP C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)Cc1cncn1C ZINC000912651400 630127228 /nfs/dbraw/zinc/12/72/28/630127228.db2.gz VORZMCROJFXVFO-ZIAGYGMSSA-N 2 0 292.427 1.684 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC(C)([NH+](C)C)CC1 ZINC000913399315 630467064 /nfs/dbraw/zinc/46/70/64/630467064.db2.gz XGSRTUKRPQTRTG-UHFFFAOYSA-N 2 0 255.406 1.269 10 0 CDAERP O[C@H](CCC1(O)CCC1)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000929698023 630708871 /nfs/dbraw/zinc/70/88/71/630708871.db2.gz XILGUGITFBWSFJ-JKSUJKDBSA-N 2 0 296.455 1.460 10 0 CDAERP C[C@@H]1[C@H](NC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC[N@@H+]1C ZINC000921330752 632931459 /nfs/dbraw/zinc/93/14/59/632931459.db2.gz PFMAYSLSCMUTSM-YIYPIFLZSA-N 2 0 282.432 1.251 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCNC(=O)Cc1c[nH]cn1 ZINC001690980343 1158512339 /nfs/dbraw/zinc/51/23/39/1158512339.db2.gz DJJYIFQJCIGASP-NSHDSACASA-N 2 0 252.362 1.046 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC[NH+](CC1CC1)C1CC1 ZINC000076263474 1158717053 /nfs/dbraw/zinc/71/70/53/1158717053.db2.gz RYTRYEILVXZIEM-UHFFFAOYSA-N 2 0 267.417 1.317 10 0 CDAERP C[NH+](C)CCC(=O)NC/C=C/C[NH2+]CC=C(Cl)Cl ZINC001669021487 1158871500 /nfs/dbraw/zinc/87/15/00/1158871500.db2.gz YQGRDZIBBCJZMO-ONEGZZNKSA-N 2 0 294.226 1.519 10 0 CDAERP CC(C)C[NH2+][C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001691111291 1158913372 /nfs/dbraw/zinc/91/33/72/1158913372.db2.gz CWJAPYNLUUUFRA-BETUJISGSA-N 2 0 255.406 1.079 10 0 CDAERP CC(C)=CC[NH+]1CC[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001691165946 1158942094 /nfs/dbraw/zinc/94/20/94/1158942094.db2.gz JSHNHTLURKWISS-CVEARBPZSA-N 2 0 293.455 1.733 10 0 CDAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@H]1C[C@H]([NH2+]CCCF)C1 ZINC001691184531 1158949323 /nfs/dbraw/zinc/94/93/23/1158949323.db2.gz OVOGAORZRJJLCS-AJNGGQMLSA-N 2 0 299.434 1.703 10 0 CDAERP CC[C@H](C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C)OC ZINC001691316816 1159013730 /nfs/dbraw/zinc/01/37/30/1159013730.db2.gz CZFQYRNVCUCLJA-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP OCc1c[nH+]ccc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000382449791 1158786786 /nfs/dbraw/zinc/78/67/86/1158786786.db2.gz BDZRKUNGXYXUPR-CQSZACIVSA-N 2 0 261.369 1.639 10 0 CDAERP CC[C@H]1CCN(C(=[NH2+])NC[C@H](C)[NH+]2CCCC2)C1 ZINC000864453875 1164545254 /nfs/dbraw/zinc/54/52/54/1164545254.db2.gz QMUYTGRZEZDXSS-STQMWFEESA-N 2 0 252.406 1.727 10 0 CDAERP COC1CC[NH+](C(C)(C)CNC(=[NH2+])N[C@@H]2C[C@H]2C)CC1 ZINC000864458071 1164546663 /nfs/dbraw/zinc/54/66/63/1164546663.db2.gz JCDNLHFCLZTAQJ-DGCLKSJQSA-N 2 0 282.432 1.398 10 0 CDAERP O=C1CC[N@H+](CC[C@H]2CC[NH2+]C2)CCCCCCN1 ZINC000866684284 1164807759 /nfs/dbraw/zinc/80/77/59/1164807759.db2.gz KZLZNRZLHVBNQM-CQSZACIVSA-N 2 0 267.417 1.368 10 0 CDAERP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000870872690 1165225762 /nfs/dbraw/zinc/22/57/62/1165225762.db2.gz GUCNLGOBYYLHBZ-LOUJCGABSA-N 2 0 293.455 1.741 10 0 CDAERP C[C@H]([NH2+]CCC[C@H]1CCOC1=O)C1CC[NH+](C)CC1 ZINC000872118186 1165382695 /nfs/dbraw/zinc/38/26/95/1165382695.db2.gz VHFCRKUDCMEXPG-JSGCOSHPSA-N 2 0 268.401 1.650 10 0 CDAERP CC1([NH+]2CCCCC2)CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000872146561 1165385756 /nfs/dbraw/zinc/38/57/56/1165385756.db2.gz QZUFSIHQQIGTDQ-HNNXBMFYSA-N 2 0 265.445 1.936 10 0 CDAERP CCn1cc(CC[N@H+](C)CCCCCC[NH3+])cn1 ZINC000872155569 1165388573 /nfs/dbraw/zinc/38/85/73/1165388573.db2.gz QJHNZZFJHDJLPK-UHFFFAOYSA-N 2 0 252.406 1.896 10 0 CDAERP [NH3+]CC1(CCNC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000872302540 1165414097 /nfs/dbraw/zinc/41/40/97/1165414097.db2.gz CUACDEKKYHXUDG-NEPJUHHUSA-N 2 0 253.390 1.139 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N(C)CC[NH+](C)C)C1 ZINC001630412483 1166205902 /nfs/dbraw/zinc/20/59/02/1166205902.db2.gz AJMJSOMLHUWEIY-ZDUSSCGKSA-N 2 0 255.406 1.127 10 0 CDAERP [NH3+]C[C@H]1CCCC[C@H]1NCc1nc2c(s1)COCC2 ZINC000925881390 1166749177 /nfs/dbraw/zinc/74/91/77/1166749177.db2.gz RJJCUPVGTGXNDI-GHMZBOCLSA-N 2 0 281.425 1.823 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)N[C@@H](C)C[NH+](C)C)CC1 ZINC001640221814 1167005988 /nfs/dbraw/zinc/00/59/88/1167005988.db2.gz BFVYCUAMPWRYAF-ZDUSSCGKSA-N 2 0 269.433 1.421 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)NC[C@@H](C)[NH+](C)C)CC1 ZINC000058369872 1167233167 /nfs/dbraw/zinc/23/31/67/1167233167.db2.gz GVHNWIBUHDVNEI-CYBMUJFWSA-N 2 0 269.433 1.421 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001565832715 1168178142 /nfs/dbraw/zinc/17/81/42/1168178142.db2.gz FXFPJJRJAKOZIA-CYBMUJFWSA-N 2 0 253.390 1.023 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)[C@@H]1CC[C@H]2C[C@@H](C)C[NH+]2C1 ZINC001646941573 1168274439 /nfs/dbraw/zinc/27/44/39/1168274439.db2.gz IFMIYAHQUWNOCV-OAGGEKHMSA-N 2 0 295.471 1.955 10 0 CDAERP CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001566533548 1168323395 /nfs/dbraw/zinc/32/33/95/1168323395.db2.gz GAWAUBYMBBWSLX-UONOGXRCSA-N 2 0 269.433 1.706 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001566587427 1168348023 /nfs/dbraw/zinc/34/80/23/1168348023.db2.gz FMDDGDDBDWKTHN-HNNXBMFYSA-N 2 0 279.428 1.319 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@@H+](CCCCCF)C1 ZINC001567419518 1168745811 /nfs/dbraw/zinc/74/58/11/1168745811.db2.gz PGPNQAWCWVLZNW-HNNXBMFYSA-N 2 0 299.434 1.660 10 0 CDAERP CN(CC[NH2+]CC1CCC1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001567516171 1168824296 /nfs/dbraw/zinc/82/42/96/1168824296.db2.gz KMPNDGHBUBOASI-HZPDHXFCSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@H](C[NH2+]CCF)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001568308171 1169236727 /nfs/dbraw/zinc/23/67/27/1169236727.db2.gz ZHNZZYFGZHHBMD-CYBMUJFWSA-N 2 0 273.396 1.124 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC(C)C ZINC001568858897 1169522285 /nfs/dbraw/zinc/52/22/85/1169522285.db2.gz VCPBEIQHFQFKNM-YVACAVLKSA-N 2 0 281.444 1.779 10 0 CDAERP CC1CC(C[NH2+]C/C=C/CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001568952451 1169560655 /nfs/dbraw/zinc/56/06/55/1169560655.db2.gz ZKEWEIWKDITKHM-YKXQEMJUSA-N 2 0 293.455 1.636 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001569426043 1169877746 /nfs/dbraw/zinc/87/77/46/1169877746.db2.gz CQCPNLGABJFICY-UHFFFAOYSA-N 2 0 265.401 1.121 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCCF ZINC001569544628 1169918383 /nfs/dbraw/zinc/91/83/83/1169918383.db2.gz WTWVQTVWPLTSBR-LSDHHAIUSA-N 2 0 299.434 1.801 10 0 CDAERP O=C(CCC[NH+]1CCCC1)N[C@H]1CC[C@@H](C[NH2+]CCF)C1 ZINC001571550252 1170473545 /nfs/dbraw/zinc/47/35/45/1170473545.db2.gz MGEQEJZOEPJGPJ-CABCVRRESA-N 2 0 299.434 1.706 10 0 CDAERP C([NH2+][C@@H]1C[C@@H]2COC[C@H]12)C1CC[NH+](CC2CC2)CC1 ZINC001652885782 1171487717 /nfs/dbraw/zinc/48/77/17/1171487717.db2.gz VXEXXWFVMMAEIY-OWCLPIDISA-N 2 0 264.413 1.733 10 0 CDAERP COC(=O)/C(C)=C/CN1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3 ZINC001656573989 1171846845 /nfs/dbraw/zinc/84/68/45/1171846845.db2.gz LNHUBEIGJNEVIB-IUNVMDDCSA-N 2 0 292.423 1.914 10 0 CDAERP C[N@H+](CCF)CCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001660145630 1172166570 /nfs/dbraw/zinc/16/65/70/1172166570.db2.gz GYTXZOFPJZHILD-UHFFFAOYSA-N 2 0 287.423 1.659 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001661793198 1172447493 /nfs/dbraw/zinc/44/74/93/1172447493.db2.gz OAAOSRBUEPGLTH-HUUCEWRRSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)[N@@H+](CCCNC(=O)C1([NH+](C)C)CCC1)C[C@@H](C)O ZINC001664513986 1172863966 /nfs/dbraw/zinc/86/39/66/1172863966.db2.gz UQTSGLXIWNAMDM-CQSZACIVSA-N 2 0 299.459 1.068 10 0 CDAERP COCC[NH2+]C[C@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001666641563 1173165488 /nfs/dbraw/zinc/16/54/88/1173165488.db2.gz NAHGDAYHAHPUHJ-AWEZNQCLSA-N 2 0 299.459 1.095 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](CC[NH2+]CCCF)C2)C1 ZINC001672911192 1173809350 /nfs/dbraw/zinc/80/93/50/1173809350.db2.gz RHWSMYLWEQHFHN-ZIAGYGMSSA-N 2 0 285.407 1.126 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001676668380 1174252704 /nfs/dbraw/zinc/25/27/04/1174252704.db2.gz MJXSIUFIKFEQLO-OLZOCXBDSA-N 2 0 255.406 1.317 10 0 CDAERP CC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]1C ZINC001689329485 1175147128 /nfs/dbraw/zinc/14/71/28/1175147128.db2.gz CRZZYZOQSQPSFE-OLZOCXBDSA-N 2 0 255.406 1.317 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CC[C@H](C[NH2+]CCF)C2)CC[N@@H+]1C ZINC001690732445 1175558249 /nfs/dbraw/zinc/55/82/49/1175558249.db2.gz JXWBYNUOVLTEGS-MJBXVCDLSA-N 2 0 285.407 1.124 10 0 CDAERP CCCC[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001690756708 1175565049 /nfs/dbraw/zinc/56/50/49/1175565049.db2.gz XMXIHKRXCKUYBC-CQSZACIVSA-N 2 0 267.417 1.320 10 0 CDAERP CCOCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1C ZINC001692169703 1175690306 /nfs/dbraw/zinc/69/03/06/1175690306.db2.gz JYCSNCJLKKBDPO-HIFRSBDPSA-N 2 0 297.443 1.086 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001698553686 1175836815 /nfs/dbraw/zinc/83/68/15/1175836815.db2.gz FHLXCXFHNOLCJY-CYBMUJFWSA-N 2 0 255.406 1.173 10 0 CDAERP CC[NH2+]CCC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001698702696 1175897482 /nfs/dbraw/zinc/89/74/82/1175897482.db2.gz PWKIXDPRINRLHM-UHFFFAOYSA-N 2 0 267.417 1.320 10 0 CDAERP CC[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001698714457 1175901008 /nfs/dbraw/zinc/90/10/08/1175901008.db2.gz IIUOIYHAGOAJCU-JOCQHMNTSA-N 2 0 255.406 1.364 10 0 CDAERP Cc1cncc(C[NH2+]CC[C@@H](C)NC(=O)CC[NH+](C)C)c1 ZINC001699131722 1176106936 /nfs/dbraw/zinc/10/69/36/1176106936.db2.gz QPZKZGAJDAFSLR-CQSZACIVSA-N 2 0 292.427 1.326 10 0 CDAERP Cc1noc(C)c1C[NH2+]C/C=C\CNC(=O)CC[NH+](C)C ZINC001699296698 1176204938 /nfs/dbraw/zinc/20/49/38/1176204938.db2.gz BMHUAXTZIRVDPU-WAYWQWQTSA-N 2 0 294.399 1.005 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001699374149 1176329552 /nfs/dbraw/zinc/32/95/52/1176329552.db2.gz IYZCQXBAEPQQTE-CHWSQXEVSA-N 2 0 287.423 1.703 10 0 CDAERP CC[C@H](C(=O)N(C)CCC[NH2+]Cc1ccns1)[NH+](C)C ZINC001699515994 1176458176 /nfs/dbraw/zinc/45/81/76/1176458176.db2.gz OZUCKCPNGFBJPX-CYBMUJFWSA-N 2 0 298.456 1.421 10 0 CDAERP CN(CCC[NH2+]C/C=C\Cl)C(=O)C1CC[NH+](C)CC1 ZINC001699532679 1176466619 /nfs/dbraw/zinc/46/66/19/1176466619.db2.gz ZVIGBCLKMIDCJV-CLTKARDFSA-N 2 0 287.835 1.519 10 0 CDAERP CC(C)[NH2+]C1(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001699670443 1176561954 /nfs/dbraw/zinc/56/19/54/1176561954.db2.gz JLADSMSNCMYCJA-BETUJISGSA-N 2 0 267.417 1.506 10 0 CDAERP C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](C)[NH2+]CCCF ZINC001700419376 1176918477 /nfs/dbraw/zinc/91/84/77/1176918477.db2.gz WOQUZAWNFUVJFG-CHWSQXEVSA-N 2 0 289.439 1.807 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H]1C ZINC001700885080 1177176935 /nfs/dbraw/zinc/17/69/35/1177176935.db2.gz LQURKWSEWPHTKS-UONOGXRCSA-N 2 0 269.433 1.706 10 0 CDAERP CC[N@H+]1CC=C(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001701055076 1177259136 /nfs/dbraw/zinc/25/91/36/1177259136.db2.gz LROIGDZTFFRMCO-UHFFFAOYSA-N 2 0 279.428 1.629 10 0 CDAERP O=C(NC[C@H]1C[C@@H]([NH2+]CCCF)C1)C12CCC[NH+]1CCC2 ZINC001707067387 1177938104 /nfs/dbraw/zinc/93/81/04/1177938104.db2.gz JRYWDCYECMUSSV-OKILXGFUSA-N 2 0 297.418 1.459 10 0 CDAERP CC(C)=CC[N@H+](C)CCCNC(=O)C[NH+]1CCCC1 ZINC001712988247 1178287823 /nfs/dbraw/zinc/28/78/23/1178287823.db2.gz DDFYUIRBCBGVBZ-UHFFFAOYSA-N 2 0 267.417 1.487 10 0 CDAERP C[NH+]1CCC(C(=O)NCCC[N@H+](CCF)C2CC2)CC1 ZINC001713043730 1178327169 /nfs/dbraw/zinc/32/71/69/1178327169.db2.gz MKENZSVCMNTRPH-UHFFFAOYSA-N 2 0 285.407 1.268 10 0 CDAERP CCCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001713245065 1178449450 /nfs/dbraw/zinc/44/94/50/1178449450.db2.gz CBXDWXQZWMXUDS-CABCVRRESA-N 2 0 281.444 1.566 10 0 CDAERP CCCC[NH2+]C[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001713360416 1178520666 /nfs/dbraw/zinc/52/06/66/1178520666.db2.gz IJZBSNKKFVNPQE-LSDHHAIUSA-N 2 0 281.444 1.566 10 0 CDAERP CCCCC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001713366286 1178522083 /nfs/dbraw/zinc/52/20/83/1178522083.db2.gz ZYGULMNJPVJVGT-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CCCCC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001713366285 1178522391 /nfs/dbraw/zinc/52/23/91/1178522391.db2.gz ZYGULMNJPVJVGT-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CN(CC[NH2+]CC1CCCCC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001713578986 1178665223 /nfs/dbraw/zinc/66/52/23/1178665223.db2.gz XSCKHBRTYYDHEN-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)CCC[NH2+]CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001713654960 1178697724 /nfs/dbraw/zinc/69/77/24/1178697724.db2.gz OAEFUGLRWVNRDJ-HNNXBMFYSA-N 2 0 283.460 1.812 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)CC[NH2+]C/C=C\Cl ZINC001713656629 1178699352 /nfs/dbraw/zinc/69/93/52/1178699352.db2.gz BAOAFLSPGZKQDC-WAYWQWQTSA-N 2 0 261.797 1.129 10 0 CDAERP CC/C=C/CC[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001713964806 1178896177 /nfs/dbraw/zinc/89/61/77/1178896177.db2.gz MDJYZOJQGTYOFC-VCMBOFEFSA-N 2 0 293.455 1.921 10 0 CDAERP CC(C)CCC[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001714303864 1179076700 /nfs/dbraw/zinc/07/67/00/1179076700.db2.gz BVIWDPVPEYNWRI-KBPBESRZSA-N 2 0 269.433 1.469 10 0 CDAERP CC(C)[NH2+]C1(CNC(=O)CC[NH+](C)C)CCCC1 ZINC001714502290 1179173992 /nfs/dbraw/zinc/17/39/92/1179173992.db2.gz KRLXHFIESZBAJC-UHFFFAOYSA-N 2 0 255.406 1.365 10 0 CDAERP COCCCC[N@H+](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001714555334 1179211321 /nfs/dbraw/zinc/21/13/21/1179211321.db2.gz WZMTXJCTKTVGIP-UHFFFAOYSA-N 2 0 297.443 1.089 10 0 CDAERP COCC[NH2+][C@H](C)C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001714812828 1179406390 /nfs/dbraw/zinc/40/63/90/1179406390.db2.gz MCCZUMATCBBSDD-CQSZACIVSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@@H](C[NH2+]CC1CC1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001714824184 1179412928 /nfs/dbraw/zinc/41/29/28/1179412928.db2.gz YRWJFLQGHARIRP-JSGCOSHPSA-N 2 0 267.417 1.175 10 0 CDAERP CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001715068852 1179537959 /nfs/dbraw/zinc/53/79/59/1179537959.db2.gz SHWLHWFQGYKWFE-ZIAGYGMSSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1C[NH2+]CCF ZINC001715430035 1179665637 /nfs/dbraw/zinc/66/56/37/1179665637.db2.gz QOLBXPKFRAEVJX-UONOGXRCSA-N 2 0 297.418 1.268 10 0 CDAERP CC[N@H+](C)CCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001715540439 1179708890 /nfs/dbraw/zinc/70/88/90/1179708890.db2.gz VNWAPZOJOZAHSZ-CQSZACIVSA-N 2 0 269.433 1.517 10 0 CDAERP CC(C)CC[NH2+]C/C=C/CNC(=O)C12CCC[NH+]1CCC2 ZINC001715835586 1179859984 /nfs/dbraw/zinc/85/99/84/1179859984.db2.gz BHATYULGAZDGDN-ONEGZZNKSA-N 2 0 293.455 1.923 10 0 CDAERP CC1CC[NH+](CC(=O)NC/C=C\C[NH2+]CC2CC2)CC1 ZINC001715884305 1179895909 /nfs/dbraw/zinc/89/59/09/1179895909.db2.gz GPUCJKSYUAPBFZ-IHWYPQMZSA-N 2 0 279.428 1.390 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+]CCC2CC2)C1 ZINC001715909055 1179908439 /nfs/dbraw/zinc/90/84/39/1179908439.db2.gz OTLPAKZAOPZMFQ-SFAKSCPVSA-N 2 0 265.401 1.000 10 0 CDAERP C[C@H](F)CC[NH2+]C/C=C\CNC(=O)C[NH+]1CCCC1 ZINC001715909686 1179908411 /nfs/dbraw/zinc/90/84/11/1179908411.db2.gz RBOWZLAKIVRMNT-ZRMMWKCHSA-N 2 0 271.380 1.092 10 0 CDAERP C[C@@H](C[NH2+]C/C=C\Cl)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001715975669 1179956893 /nfs/dbraw/zinc/95/68/93/1179956893.db2.gz FPQWNIYXMIRBEP-VVLAFVBUSA-N 2 0 285.819 1.175 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001715977011 1179958137 /nfs/dbraw/zinc/95/81/37/1179958137.db2.gz PSQPGCVMLUBZTE-GJZGRUSLSA-N 2 0 283.460 2.000 10 0 CDAERP CCN(CC[NH2+]Cc1ccccc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001716253643 1180121951 /nfs/dbraw/zinc/12/19/51/1180121951.db2.gz BRVQHUXWTNBEKX-MRXNPFEDSA-N 2 0 289.423 1.576 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001716424707 1180199357 /nfs/dbraw/zinc/19/93/57/1180199357.db2.gz QRQSJUYMNPKJSJ-OAHLLOKOSA-N 2 0 281.444 1.923 10 0 CDAERP CC[C@H](F)C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001716532938 1180273408 /nfs/dbraw/zinc/27/34/08/1180273408.db2.gz ZXCRYFMZLBCPFV-STQMWFEESA-N 2 0 273.396 1.267 10 0 CDAERP CC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001716546163 1180278825 /nfs/dbraw/zinc/27/88/25/1180278825.db2.gz JMRQTBXOWNCAFR-HNNXBMFYSA-N 2 0 281.444 1.851 10 0 CDAERP C[C@H]([NH2+]CCCF)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001716969601 1180483237 /nfs/dbraw/zinc/48/32/37/1180483237.db2.gz PSYRDWOPGAARKN-STQMWFEESA-N 2 0 273.396 1.124 10 0 CDAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CCC1CC1 ZINC001716990886 1180495312 /nfs/dbraw/zinc/49/53/12/1180495312.db2.gz QMALIKZEWZTPQK-DZGCQCFKSA-N 2 0 281.444 1.422 10 0 CDAERP COCCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C[C@H]1C ZINC001717338551 1180622106 /nfs/dbraw/zinc/62/21/06/1180622106.db2.gz WHDPVTKPOGFZDG-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP COCC[NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCCCC1 ZINC001717528036 1180721628 /nfs/dbraw/zinc/72/16/28/1180721628.db2.gz KFGLUCAGGNFOBH-UHFFFAOYSA-N 2 0 297.443 1.137 10 0 CDAERP CCC[N@@H+]1CCCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001717538375 1180728985 /nfs/dbraw/zinc/72/89/85/1180728985.db2.gz HGFGERYVOCPPJR-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP CCOCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001717758415 1180833134 /nfs/dbraw/zinc/83/31/34/1180833134.db2.gz WZVFMZPQUJANIJ-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP CC[C@@H](C)C[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001723055309 1181514508 /nfs/dbraw/zinc/51/45/08/1181514508.db2.gz NYQXAUMHWUEPRZ-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH2+]C[C@H](C)OC ZINC001723204489 1181526274 /nfs/dbraw/zinc/52/62/74/1181526274.db2.gz RKDNNAVPKYEFOZ-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@@H](C[NH2+]CCF)C1CC1)[NH+](C)C ZINC001723342698 1181540808 /nfs/dbraw/zinc/54/08/08/1181540808.db2.gz JUBGHMGDOXDFHN-STQMWFEESA-N 2 0 273.396 1.027 10 0 CDAERP CCOCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1CC ZINC001723379143 1181544250 /nfs/dbraw/zinc/54/42/50/1181544250.db2.gz ROTQHMLEZSUELF-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[NH+](CC)C2 ZINC001724506847 1181687298 /nfs/dbraw/zinc/68/72/98/1181687298.db2.gz ZNGAASJQNXUXMA-IHRRRGAJSA-N 2 0 267.417 1.317 10 0 CDAERP CCC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001724610771 1181703960 /nfs/dbraw/zinc/70/39/60/1181703960.db2.gz GWTJMQNKPJHVBE-KBPBESRZSA-N 2 0 269.433 1.422 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CCC1CC1 ZINC001725129506 1181876656 /nfs/dbraw/zinc/87/66/56/1181876656.db2.gz PMXSYFGRFBGYKN-OLZOCXBDSA-N 2 0 269.433 1.610 10 0 CDAERP CC(C)=CC[NH+](C)[C@@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001725188038 1181913169 /nfs/dbraw/zinc/91/31/69/1181913169.db2.gz NNDHDWIEXJKMKJ-GJZGRUSLSA-N 2 0 281.444 1.731 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001725359289 1181971905 /nfs/dbraw/zinc/97/19/05/1181971905.db2.gz PXFDULFUPJJEQS-ZQDZILKHSA-N 2 0 299.434 1.703 10 0 CDAERP CC[NH2+]C[C@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001725372210 1181978841 /nfs/dbraw/zinc/97/88/41/1181978841.db2.gz NBPZXTKNOFQGFN-HDJSIYSDSA-N 2 0 267.417 1.367 10 0 CDAERP CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001725465833 1182010142 /nfs/dbraw/zinc/01/01/42/1182010142.db2.gz ITHMGMVKAJCEBY-BPUTZDHNSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC1=CC[NH+](CCC2CC2)CC1 ZINC001725830001 1182145610 /nfs/dbraw/zinc/14/56/10/1182145610.db2.gz NNWCPQBTIMKTMY-UHFFFAOYSA-N 2 0 293.455 1.875 10 0 CDAERP CCC[N@H+](C)CCCNC(=O)C(C)(C)n1cnc(C)c1 ZINC001731249004 1182276839 /nfs/dbraw/zinc/27/68/39/1182276839.db2.gz QHYBLJJOAPQJFC-UHFFFAOYSA-N 2 0 280.416 1.775 10 0 CDAERP CC(C)[N@H+](CCCNC(=O)C[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001731342954 1182330442 /nfs/dbraw/zinc/33/04/42/1182330442.db2.gz SNKQKYKFPCBWSR-AWEZNQCLSA-N 2 0 281.444 1.707 10 0 CDAERP CC[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001731640419 1182496321 /nfs/dbraw/zinc/49/63/21/1182496321.db2.gz NDHIPVFERABPAI-CHWSQXEVSA-N 2 0 255.406 1.221 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001731846401 1182624752 /nfs/dbraw/zinc/62/47/52/1182624752.db2.gz NBNCIFMYXDDHMY-OWCLPIDISA-N 2 0 295.471 1.955 10 0 CDAERP CN(CC[NH2+]CC1CCCCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001731984803 1182713907 /nfs/dbraw/zinc/71/39/07/1182713907.db2.gz ZKJZGGQEBPEGNF-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001732152928 1182810622 /nfs/dbraw/zinc/81/06/22/1182810622.db2.gz FGCXYUNSZHCZTQ-IHRRRGAJSA-N 2 0 269.433 1.563 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H](CC[NH2+]CCF)C1 ZINC001732282544 1182894492 /nfs/dbraw/zinc/89/44/92/1182894492.db2.gz VEIPWJPYSCQBAA-CYBMUJFWSA-N 2 0 273.396 1.126 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CCCF ZINC001732424476 1182959502 /nfs/dbraw/zinc/95/95/02/1182959502.db2.gz ZSBGJNHHUCQSNX-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)N(C)C(=O)CCC[NH+](C)C ZINC001732439539 1182967031 /nfs/dbraw/zinc/96/70/31/1182967031.db2.gz QZCCOPBYAHGMIA-AWEZNQCLSA-N 2 0 269.433 1.731 10 0 CDAERP CCC[N@H+](C)CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001732581762 1183027592 /nfs/dbraw/zinc/02/75/92/1183027592.db2.gz OEHMNEUURWHDLJ-AWEZNQCLSA-N 2 0 267.417 1.128 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CCC1CCCC1 ZINC001732836595 1183150687 /nfs/dbraw/zinc/15/06/87/1183150687.db2.gz TWMNGBDMKRDEFK-APHBUQMISA-N 2 0 293.455 1.923 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC/C=C\C[NH2+]C/C=C\Cl ZINC001732860661 1183162574 /nfs/dbraw/zinc/16/25/74/1183162574.db2.gz PFOKKQDZDXJSRF-FSBUVYDVSA-N 2 0 299.846 1.875 10 0 CDAERP CC(C)CCC[NH2+]C[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001733014462 1183239084 /nfs/dbraw/zinc/23/90/84/1183239084.db2.gz UXAZSYUTCFNODZ-GJZGRUSLSA-N 2 0 283.460 1.859 10 0 CDAERP CC[C@@H](C)C[NH+]1CC(N(C)C(=O)CCC[NH+](C)C)C1 ZINC001733313588 1183378857 /nfs/dbraw/zinc/37/88/57/1183378857.db2.gz PAXIOOJHBYCFDH-CYBMUJFWSA-N 2 0 269.433 1.517 10 0 CDAERP CCCC[NH2+]C[C@@]1(C)CCN(C(=O)CCC[NH+](C)C)C1 ZINC001733434162 1183432572 /nfs/dbraw/zinc/43/25/72/1183432572.db2.gz FCEMIKZHUZJGAO-MRXNPFEDSA-N 2 0 283.460 1.957 10 0 CDAERP C[C@@H]([NH2+]CCC1CC1)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001734002561 1183610160 /nfs/dbraw/zinc/61/01/60/1183610160.db2.gz LXNFXYKAYSGXOH-OLZOCXBDSA-N 2 0 267.417 1.365 10 0 CDAERP O=C(N[C@H]1C[C@H](C[NH2+]CCF)C1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001734210532 1183692273 /nfs/dbraw/zinc/69/22/73/1183692273.db2.gz MBXZXFWOQUMTOZ-AJNGGQMLSA-N 2 0 297.418 1.457 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001734219832 1183694955 /nfs/dbraw/zinc/69/49/55/1183694955.db2.gz XPJDZMYTJICGCQ-BZUAXINKSA-N 2 0 295.471 1.859 10 0 CDAERP CCCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001734295343 1183716864 /nfs/dbraw/zinc/71/68/64/1183716864.db2.gz JKVBWXLFRPGELU-LSDHHAIUSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001734427561 1183775885 /nfs/dbraw/zinc/77/58/85/1183775885.db2.gz ZBNMABHVJZOXNC-HUUCEWRRSA-N 2 0 281.444 1.873 10 0 CDAERP CC(C)OCC[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001734427728 1183776465 /nfs/dbraw/zinc/77/64/65/1183776465.db2.gz JRVGQYNJBGQWDD-GJZGRUSLSA-N 2 0 299.459 1.331 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[C@@H]2[NH3+])C1 ZINC001771755473 1186859780 /nfs/dbraw/zinc/85/97/80/1186859780.db2.gz XRDWWCPMXGRXKE-ILXRZTDVSA-N 2 0 281.444 1.598 10 0 CDAERP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000866696967 1164809715 /nfs/dbraw/zinc/80/97/15/1164809715.db2.gz DZIRXCNIUJQABC-CABCVRRESA-N 2 0 270.417 1.380 10 0 CDAERP Cc1cocc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870016761 1165133621 /nfs/dbraw/zinc/13/36/21/1165133621.db2.gz YILDLASFEWICSM-ZIAGYGMSSA-N 2 0 293.411 1.399 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000870994770 1165251068 /nfs/dbraw/zinc/25/10/68/1165251068.db2.gz UYWCKVCEHWIAAJ-SMDDNHRTSA-N 2 0 255.406 1.337 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[NH+](C)C(C)(C)CC1 ZINC000871154739 1165271108 /nfs/dbraw/zinc/27/11/08/1165271108.db2.gz ZDDXXGCXFDITET-UHFFFAOYSA-N 2 0 255.406 1.271 10 0 CDAERP [NH3+]CCOCC[N@@H+]1CC[C@@]2(CCc3ccccc32)C1 ZINC000872146215 1165385675 /nfs/dbraw/zinc/38/56/75/1165385675.db2.gz IHAPYAOCZYGTPK-INIZCTEOSA-N 2 0 260.381 1.552 10 0 CDAERP CC[C@@H](C)[C@@H](C)[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC001619575989 1165648271 /nfs/dbraw/zinc/64/82/71/1165648271.db2.gz IBDSWDXPJTZFBK-CHWSQXEVSA-N 2 0 255.406 1.127 10 0 CDAERP COCC[N@H+](C)CCC[NH2+]C[C@@H](O)c1ccc(F)cc1C ZINC000818953261 811874326 /nfs/dbraw/zinc/87/43/26/811874326.db2.gz DUTRAQSGVYTNLU-MRXNPFEDSA-N 2 0 298.402 1.725 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000711226997 812867941 /nfs/dbraw/zinc/86/79/41/812867941.db2.gz SJIWXWBRKCMIJL-AWEZNQCLSA-N 2 0 281.444 1.613 10 0 CDAERP Cc1cnc(Cl)c(C[NH2+]CCOCC[NH+](C)C)c1 ZINC000922006708 813143716 /nfs/dbraw/zinc/14/37/16/813143716.db2.gz CFJXVTAPRZKITA-UHFFFAOYSA-N 2 0 271.792 1.711 10 0 CDAERP CC(C)COC[C@@H](O)CN1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000931306829 805047202 /nfs/dbraw/zinc/04/72/02/805047202.db2.gz IQTDWMZOUZBQNC-HRCADAONSA-N 2 0 284.444 1.294 10 0 CDAERP C[N@@H+]1C[C@@]2(C)CN(CC[NH+]3CCCCC3)C[C@@]2(C)C1 ZINC000931309111 805082660 /nfs/dbraw/zinc/08/26/60/805082660.db2.gz WGTNYYAWJHOLGE-IYBDPMFKSA-N 2 0 265.445 1.746 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@@H](N3CCCCC3)C2)C1 ZINC000227802534 805114767 /nfs/dbraw/zinc/11/47/67/805114767.db2.gz WHSRBMJMYOPQMY-RRFJBIMHSA-N 2 0 251.418 1.674 10 0 CDAERP O[C@H](C[NH2+]C[C@@H]1C[C@H]1C1CCOCC1)C[NH+]1CCCC1 ZINC000872231881 805153192 /nfs/dbraw/zinc/15/31/92/805153192.db2.gz SXAKHWPGDGNAKV-XHSDSOJGSA-N 2 0 282.428 1.095 10 0 CDAERP Cc1c[nH+]ccc1N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000720399251 805286164 /nfs/dbraw/zinc/28/61/64/805286164.db2.gz OUAVREWFXPTHPX-ZIAGYGMSSA-N 2 0 263.410 1.804 10 0 CDAERP C[C@@H]1CC[N@H+](C[C@@H]2CC[C@H](C3CC3)O2)C[C@H]1C[NH3+] ZINC000715507332 805324037 /nfs/dbraw/zinc/32/40/37/805324037.db2.gz GIMHPRLDIKLXMH-REBRKWNGSA-N 2 0 252.402 1.861 10 0 CDAERP [NH3+]CCCCCCC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000841848242 805327319 /nfs/dbraw/zinc/32/73/19/805327319.db2.gz DSBONVYGMPZEGP-CYBMUJFWSA-N 2 0 253.390 1.249 10 0 CDAERP O=C(N1CCC(C[NH+]2CCCC2)CC1)[C@@]1(F)CC[NH2+]C1 ZINC000165057656 811236983 /nfs/dbraw/zinc/23/69/83/811236983.db2.gz HJNPEJWTMZRZRW-OAHLLOKOSA-N 2 0 283.391 1.022 10 0 CDAERP CC1(C)C[C@@H]([NH2+][C@H]2CC23CC[NH2+]CC3)C[C@@H]([NH3+])C1 ZINC000925711812 811330465 /nfs/dbraw/zinc/33/04/65/811330465.db2.gz SGFHJZXCYVXWHZ-AGIUHOORSA-N 3 0 251.418 1.624 10 0 CDAERP CCOC[C@H](O)C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000715585937 811341078 /nfs/dbraw/zinc/34/10/78/811341078.db2.gz OJLRRZJFBOWPRT-ROKHWSDSSA-N 2 0 258.406 1.236 10 0 CDAERP CC(C)(O)CC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925647610 811341639 /nfs/dbraw/zinc/34/16/39/811341639.db2.gz ZBIHJEVHIJGLDA-KGLIPLIRSA-N 2 0 254.418 1.905 10 0 CDAERP C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)C12CCC[NH+](CCC1)C2 ZINC000923261648 811407600 /nfs/dbraw/zinc/40/76/00/811407600.db2.gz NMPSKQSKGVYDNY-LSDHHAIUSA-N 2 0 291.439 1.558 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+]Cc1cn(C)nc1Br ZINC000720640176 811495129 /nfs/dbraw/zinc/49/51/29/811495129.db2.gz SMHPEIUOQZVBAY-VIFPVBQESA-N 2 0 289.221 1.790 10 0 CDAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C[C@H]1C[NH+](C)C ZINC000870018232 811574395 /nfs/dbraw/zinc/57/43/95/811574395.db2.gz XYGBHTJRLJYNMK-LYYZXLFJSA-N 2 0 293.455 1.230 10 0 CDAERP C[NH+](C)CCOCC[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000926254699 811716071 /nfs/dbraw/zinc/71/60/71/811716071.db2.gz NGTSZTAGZWPILX-CABCVRRESA-N 2 0 269.433 1.171 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C2CC[NH+](C3CC3)CC2)C1 ZINC000847179813 811733440 /nfs/dbraw/zinc/73/34/40/811733440.db2.gz NYPLBCIBQQWSLY-JNSHFYNHSA-N 2 0 279.428 1.317 10 0 CDAERP C[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1ccnn1C ZINC000396458947 811759738 /nfs/dbraw/zinc/75/97/38/811759738.db2.gz ORPNJXMQACEIOW-VXGBXAGGSA-N 2 0 250.390 1.801 10 0 CDAERP C[NH+](C)C[C@@H]1CN(C(=O)C2=CCCC2)C[C@H]1C[NH+](C)C ZINC000870020316 811762904 /nfs/dbraw/zinc/76/29/04/811762904.db2.gz MCLXPCFAYWQCAB-HUUCEWRRSA-N 2 0 279.428 1.295 10 0 CDAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000925876268 811776272 /nfs/dbraw/zinc/77/62/72/811776272.db2.gz SDLQAJBJCMJQNZ-VVLHAWIVSA-N 3 0 297.487 1.840 10 0 CDAERP CN1Cc2ccccc2[C@H]1CNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000870979354 811804546 /nfs/dbraw/zinc/80/45/46/811804546.db2.gz IVYPDYNBDRFPOJ-GOEBONIOSA-N 2 0 287.407 1.822 10 0 CDAERP O[C@@H](CN1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(F)cn1 ZINC000799303237 811860856 /nfs/dbraw/zinc/86/08/56/811860856.db2.gz ISHABPIOWLTRPF-CJNGLKHVSA-N 2 0 293.386 1.672 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C)[NH+]1CCCCC1 ZINC000094647932 811883830 /nfs/dbraw/zinc/88/38/30/811883830.db2.gz KZHNEIMUHSYZOC-MGPQQGTHSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@H]1C[N@H+](Cc2nc3c(o2)CCCC3)CC[C@@H]1C[NH3+] ZINC000923488064 811894319 /nfs/dbraw/zinc/89/43/19/811894319.db2.gz CYYVNJCKQADPPK-NWDGAFQWSA-N 2 0 263.385 1.970 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)CC[NH2+]CC2CC2)CC[N@@H+]1C ZINC000870893050 812006514 /nfs/dbraw/zinc/00/65/14/812006514.db2.gz NKYYRAZUPPIZPN-TZMCWYRMSA-N 2 0 267.417 1.317 10 0 CDAERP CC(C)[C@@H]1COCC[C@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000924662425 812020335 /nfs/dbraw/zinc/02/03/35/812020335.db2.gz RACRVGLUBNNNQZ-DLBZAZTESA-N 2 0 297.487 1.665 10 0 CDAERP CC(C)[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(F)cn1 ZINC000925813824 812144126 /nfs/dbraw/zinc/14/41/26/812144126.db2.gz ZOPYAZAUUYMLCG-MRXNPFEDSA-N 2 0 294.418 1.931 10 0 CDAERP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccnc(F)c2)CC1 ZINC000858126876 812189970 /nfs/dbraw/zinc/18/99/70/812189970.db2.gz LZXYBIPMUQELRU-UHFFFAOYSA-N 2 0 280.391 1.338 10 0 CDAERP C[C@@H]1C[N@@H+]([C@@H]2CCN(C3CCC3)C2=O)CC[C@@H]1C[NH3+] ZINC000923491572 812315426 /nfs/dbraw/zinc/31/54/26/812315426.db2.gz TUKRFSALACOAGH-YRGRVCCFSA-N 2 0 265.401 1.057 10 0 CDAERP CC[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)C1CC1 ZINC000925844755 812323863 /nfs/dbraw/zinc/32/38/63/812323863.db2.gz LFXLFWVUQKBIKV-OAHLLOKOSA-N 2 0 253.434 1.840 10 0 CDAERP [NH3+][C@H]1C[C@H]([NH2+]C[C@]23OCCC[C@H]2C3(F)F)C12CCC2 ZINC000925711142 812354062 /nfs/dbraw/zinc/35/40/62/812354062.db2.gz SSZLJEZEMMXCFM-BLFANLJRSA-N 2 0 272.339 1.660 10 0 CDAERP CC[NH+]1CCC(C[NH2+][C@H](C)c2cn(C)nn2)CC1 ZINC000715927764 812382183 /nfs/dbraw/zinc/38/21/83/812382183.db2.gz LSCGNFNRGSPSBW-LLVKDONJSA-N 2 0 251.378 1.198 10 0 CDAERP C[C@@H]1C[N@H+](C[C@@H]2CC[C@@H](C(F)(F)F)O2)C[C@@H]1C[NH3+] ZINC000721463868 812384968 /nfs/dbraw/zinc/38/49/68/812384968.db2.gz AKYIEVFXEGNFMH-RCWTZXSCSA-N 2 0 266.307 1.623 10 0 CDAERP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H](O)CC3(CO)CCCC3)C[C@@H]2C1 ZINC000931443141 812396558 /nfs/dbraw/zinc/39/65/58/812396558.db2.gz RSSUQHBNDUSQAM-PMPSAXMXSA-N 2 0 296.455 1.174 10 0 CDAERP CO[C@@H](C[NH+]1CCC(C)([NH+](C)C)CC1)[C@@H]1CCOC1 ZINC000931355529 812443449 /nfs/dbraw/zinc/44/34/49/812443449.db2.gz UAFWJJQHLISELP-KGLIPLIRSA-N 2 0 270.417 1.454 10 0 CDAERP Cn1nccc1C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925539157 812504716 /nfs/dbraw/zinc/50/47/16/812504716.db2.gz ZHHZVLNXLDQADA-OAHLLOKOSA-N 2 0 258.369 1.990 10 0 CDAERP CC[C@@H]1CC[C@H](C)[N@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878688413 812708887 /nfs/dbraw/zinc/70/88/87/812708887.db2.gz FDINOSHDHUAZHO-UONOGXRCSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+]Cc1cccnc1-n1ccnc1 ZINC000817899169 812850383 /nfs/dbraw/zinc/85/03/83/812850383.db2.gz DPSNAVMLQAXBAU-CYBMUJFWSA-N 2 0 273.384 1.874 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000712996132 812876928 /nfs/dbraw/zinc/87/69/28/812876928.db2.gz LWBHUENRUOGSMC-OLZOCXBDSA-N 2 0 283.460 1.985 10 0 CDAERP C([C@H]1CCC2(CCC2)O1)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000712499030 812971294 /nfs/dbraw/zinc/97/12/94/812971294.db2.gz UNRYUDRLZRTFAL-HUUCEWRRSA-N 2 0 279.428 1.068 10 0 CDAERP C[NH+](C)C1(CNC(=O)CC2CC([NH3+])C2)CCCCC1 ZINC000718137284 813026576 /nfs/dbraw/zinc/02/65/76/813026576.db2.gz KLZQMAFSNPIPBG-UHFFFAOYSA-N 2 0 267.417 1.495 10 0 CDAERP CC(C)OC(=O)N1CCC([NH2+][C@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000817910886 813045176 /nfs/dbraw/zinc/04/51/76/813045176.db2.gz DRFYXNCALLCAOY-HIFRSBDPSA-N 2 0 297.443 1.974 10 0 CDAERP C(C[C@@H]1CCSC1)[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000873236329 813086960 /nfs/dbraw/zinc/08/69/60/813086960.db2.gz WHQYNIUUIOBAMI-CBBWQLFWSA-N 2 0 284.469 1.876 10 0 CDAERP CC(C)(C[NH2+]Cc1cc[nH]c(=O)c1)C[NH+]1CCCC1 ZINC000922052511 813096490 /nfs/dbraw/zinc/09/64/90/813096490.db2.gz PKMSQQVSMFYDAQ-UHFFFAOYSA-N 2 0 263.385 1.999 10 0 CDAERP O=C(CCCC[NH+]1CCCC1)N1CCC2(CC[NH2+]2)CC1 ZINC000844201304 813166875 /nfs/dbraw/zinc/16/68/75/813166875.db2.gz NKUJQXPGDHZNAV-UHFFFAOYSA-N 2 0 279.428 1.607 10 0 CDAERP CC[NH+](CC)CCC[NH2+][C@@H]1CCOC12CCOCC2 ZINC000924526929 813226507 /nfs/dbraw/zinc/22/65/07/813226507.db2.gz IHUORDAIWGBQST-CQSZACIVSA-N 2 0 270.417 1.646 10 0 CDAERP CC[S@](=O)CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000850130920 813300753 /nfs/dbraw/zinc/30/07/53/813300753.db2.gz OPJSPAFLYVXZRB-IBGZPJMESA-N 2 0 278.381 1.126 10 0 CDAERP CC1(C)C[C@H](C[NH+]2CCNCCNCC2)C(C)(C)O1 ZINC000923460851 813309177 /nfs/dbraw/zinc/30/91/77/813309177.db2.gz SDJBNAWWSSVKHE-CYBMUJFWSA-N 2 0 269.433 1.075 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[NH2+]CC1(C)C)c1cccs1 ZINC000711354941 813349552 /nfs/dbraw/zinc/34/95/52/813349552.db2.gz PLRNGWWBPFKBPJ-NWDGAFQWSA-N 2 0 295.452 1.713 10 0 CDAERP Cn1ccc([C@@H]2CCCN(CCC[NH2+]C3CC3)C2)n1 ZINC000923433028 813351491 /nfs/dbraw/zinc/35/14/91/813351491.db2.gz UQHLSBRPKWRHLG-CYBMUJFWSA-N 2 0 262.401 1.742 10 0 CDAERP C[NH+](C)[C@H]1CCCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC000896115200 813375401 /nfs/dbraw/zinc/37/54/01/813375401.db2.gz BRFXCWSWGIYFIZ-ZFWWWQNUSA-N 2 0 265.401 1.025 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1cc(F)cnc1Cl ZINC000817933830 813483679 /nfs/dbraw/zinc/48/36/79/813483679.db2.gz UJWJOJLNQABGCF-LLVKDONJSA-N 2 0 275.755 1.718 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000852869275 813556561 /nfs/dbraw/zinc/55/65/61/813556561.db2.gz ASZXPZOPXQQGKA-MRXNPFEDSA-N 2 0 291.439 1.631 10 0 CDAERP COC[C@@H](C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)C(C)C ZINC000721974699 813649021 /nfs/dbraw/zinc/64/90/21/813649021.db2.gz RBDHSDQVQFGACH-HUUCEWRRSA-N 2 0 254.418 1.981 10 0 CDAERP C[C@H]1CC[NH2+][C@H](C(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000126770895 813723110 /nfs/dbraw/zinc/72/31/10/813723110.db2.gz FTBWVGMOVNAKLW-HOCLYGCPSA-N 2 0 293.455 1.709 10 0 CDAERP C[NH+](C)CC1CC[NH+](C[C@H](O)CCC2(O)CCC2)CC1 ZINC000929283604 813740533 /nfs/dbraw/zinc/74/05/33/813740533.db2.gz UTXFXCUECPINTH-OAHLLOKOSA-N 2 0 284.444 1.316 10 0 CDAERP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000724343864 813760052 /nfs/dbraw/zinc/76/00/52/813760052.db2.gz UQBZLTCNYMYFPO-JWURUJNWSA-N 2 0 286.441 1.202 10 0 CDAERP [NH3+]CC12CC(C1)CN2C[C@@H](O)CCc1ccccc1 ZINC000923392507 813796952 /nfs/dbraw/zinc/79/69/52/813796952.db2.gz XNGVQJHDZLFUSR-PCKAHOCUSA-N 2 0 260.381 1.403 10 0 CDAERP C(C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)CC1CCOCC1 ZINC000925677709 813823908 /nfs/dbraw/zinc/82/39/08/813823908.db2.gz AFWPAIZLXJAUOE-RFBLXINOSA-N 2 0 264.413 1.779 10 0 CDAERP COc1nccnc1C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000824331900 813825510 /nfs/dbraw/zinc/82/55/10/813825510.db2.gz AJDIBJQIXKIZGI-UHFFFAOYSA-N 2 0 290.411 1.793 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1nn(CC)nc1C ZINC000925240013 813863298 /nfs/dbraw/zinc/86/32/98/813863298.db2.gz HLFUIDZWOGQTGQ-GXTWGEPZSA-N 2 0 297.447 1.614 10 0 CDAERP CC[C@@H](C)C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863550059 813865687 /nfs/dbraw/zinc/86/56/87/813865687.db2.gz XYOMKPHAWXDILG-BNOWGMLFSA-N 2 0 281.400 1.290 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925718221 813875124 /nfs/dbraw/zinc/87/51/24/813875124.db2.gz NEGSBLCQWZBLDG-CABCVRRESA-N 3 0 269.433 1.110 10 0 CDAERP CC[N@H+](CCc1ccccn1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923322642 813876145 /nfs/dbraw/zinc/87/61/45/813876145.db2.gz QTAKVNJIAZPBAF-OAHLLOKOSA-N 2 0 275.396 1.325 10 0 CDAERP C(C[NH2+][C@H]1CC[NH2+]C12CCCC2)C[C@H]1CCC[NH2+]1 ZINC000925712469 813880158 /nfs/dbraw/zinc/88/01/58/813880158.db2.gz VHAYHTAXKRZRSV-KGLIPLIRSA-N 3 0 251.418 1.783 10 0 CDAERP Cc1noc(C2CCC([NH2+]C[C@@H]3C[NH2+]C[C@H]3C)CC2)n1 ZINC000925785269 814052256 /nfs/dbraw/zinc/05/22/56/814052256.db2.gz MPYRHJGHMYUCBM-LZHSZURSSA-N 2 0 278.400 1.849 10 0 CDAERP CO[C@@H]1CCC[C@H]([NH2+]C[C@@](C)(O)C[NH+](C)C)CC1 ZINC000718789680 814070999 /nfs/dbraw/zinc/07/09/99/814070999.db2.gz MXLWGHXDTNEXTL-BFHYXJOUSA-N 2 0 258.406 1.236 10 0 CDAERP Cn1c(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cnc1Cl ZINC000848551250 814101444 /nfs/dbraw/zinc/10/14/44/814101444.db2.gz HKZCWJFLMRKGHB-UHFFFAOYSA-N 2 0 299.850 1.189 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C=C2CC[NH2+]CC2)C1 ZINC000852869656 814112248 /nfs/dbraw/zinc/11/22/48/814112248.db2.gz JSCKULOQSFADAD-HNNXBMFYSA-N 2 0 279.428 1.487 10 0 CDAERP CO[C@@H]1CCC[C@@H]([NH2+]CCCN2CC[NH+](C)CC2)CC1 ZINC000718757391 814196023 /nfs/dbraw/zinc/19/60/23/814196023.db2.gz YVMTYFXLHDOGIL-HZPDHXFCSA-N 2 0 283.460 1.561 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH2+]CC2(C)C)C1 ZINC000711282475 814259890 /nfs/dbraw/zinc/25/98/90/814259890.db2.gz OKQWYBQNANWEAC-OLZOCXBDSA-N 2 0 267.417 1.079 10 0 CDAERP COCCOc1ccc(CN[C@@H]2C[C@@H]([NH3+])C23CCC3)cn1 ZINC000925613898 814314940 /nfs/dbraw/zinc/31/49/40/814314940.db2.gz UUKHQCXQKKTAIR-ZIAGYGMSSA-N 2 0 291.395 1.466 10 0 CDAERP C[C@@H]([NH2+]CCOC1CCOCC1)C1CC[NH+](C)CC1 ZINC000701398658 814331324 /nfs/dbraw/zinc/33/13/24/814331324.db2.gz LKZYMBBBEFZUJL-CYBMUJFWSA-N 2 0 270.417 1.502 10 0 CDAERP C[C@@H]1CN(C(=[NH2+])NCCC[N@@H+]2CCCC[C@H]2C)CCO1 ZINC000848982358 814332410 /nfs/dbraw/zinc/33/24/10/814332410.db2.gz LSZXGKMRAVNADH-ZIAGYGMSSA-N 2 0 282.432 1.496 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)NCc2cccs2)CC[C@@H]1C[NH3+] ZINC000923503923 814357769 /nfs/dbraw/zinc/35/77/69/814357769.db2.gz MLLWEVWIWDZACI-VXGBXAGGSA-N 2 0 281.425 1.281 10 0 CDAERP [NH3+]C[C@@H]1CN(CCOC[C@H]2CCCO2)C[C@@H]1C(F)(F)F ZINC000720876413 814457211 /nfs/dbraw/zinc/45/72/11/814457211.db2.gz IJGYEBGLMCYUDZ-UTUOFQBUSA-N 2 0 296.333 1.251 10 0 CDAERP CCN1C[C@H](C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)OC1=O ZINC000846797391 814538130 /nfs/dbraw/zinc/53/81/30/814538130.db2.gz STQGDXLBWMEHFU-HNNXBMFYSA-N 2 0 297.443 1.879 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C1CC1)C1CCOCC1 ZINC000924992594 814580525 /nfs/dbraw/zinc/58/05/25/814580525.db2.gz MNBTXLCLIQPWKW-RHSMWYFYSA-N 2 0 295.471 1.417 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000711028926 814640924 /nfs/dbraw/zinc/64/09/24/814640924.db2.gz GBDHGTXXYGDPPD-IHRRRGAJSA-N 2 0 267.417 1.447 10 0 CDAERP O=C1O[C@H](C[NH2+][C@H]2CCCSC2)CC12CC[NH2+]CC2 ZINC000925851955 814668634 /nfs/dbraw/zinc/66/86/34/814668634.db2.gz AYPHMECLPVHKGT-RYUDHWBXSA-N 2 0 284.425 1.157 10 0 CDAERP CC(C)[NH+]1CCC(N2CCc3sc(C[NH3+])nc3C2)CC1 ZINC000710210838 814669698 /nfs/dbraw/zinc/66/96/98/814669698.db2.gz XLLBZWAOAAFMNQ-UHFFFAOYSA-N 2 0 294.468 1.833 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCC(OC)OC)[C@@H](C)C1 ZINC000851847229 814692822 /nfs/dbraw/zinc/69/28/22/814692822.db2.gz RCHCQQISHVFCJY-STQMWFEESA-N 2 0 258.406 1.658 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1C[C@H](O)c2ccccc21 ZINC000854229799 814710909 /nfs/dbraw/zinc/71/09/09/814710909.db2.gz XMSHDGWCCPMYLE-CQDKDKBSSA-N 2 0 264.369 1.508 10 0 CDAERP CC[N@H+](CCNC(=O)C1([NH3+])CC2(CCC2)C1)C(C)C ZINC000852865337 814717080 /nfs/dbraw/zinc/71/70/80/814717080.db2.gz ZLPCIWAZTVSOIK-UHFFFAOYSA-N 2 0 267.417 1.495 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH+](C)[C@H]2C)C1 ZINC000925327305 814725853 /nfs/dbraw/zinc/72/58/53/814725853.db2.gz OUTUHIMELLGQMJ-SOUVJXGZSA-N 2 0 296.459 1.452 10 0 CDAERP CC(C)(O)C[C@H](O)C[NH2+]CCCCC[NH+]1CCCCC1 ZINC000872201079 814745877 /nfs/dbraw/zinc/74/58/77/814745877.db2.gz VQANRLKCUIAPMM-HNNXBMFYSA-N 2 0 286.460 1.754 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCCS1(=O)=O ZINC000714370998 816742929 /nfs/dbraw/zinc/74/29/29/816742929.db2.gz FMLWVEJWPKYGOC-YNEHKIRRSA-N 2 0 274.430 1.061 10 0 CDAERP Cc1ccc([C@@H](O)C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)o1 ZINC000850155692 816761806 /nfs/dbraw/zinc/76/18/06/816761806.db2.gz HKGDLMFDPDUJHT-HNNXBMFYSA-N 2 0 298.346 1.992 10 0 CDAERP CC(C)Cn1ncnc1C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723894894 816948927 /nfs/dbraw/zinc/94/89/27/816948927.db2.gz QXWIAXKVUZRWCK-CHWSQXEVSA-N 2 0 265.405 1.351 10 0 CDAERP COCCC[C@H](C)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925849928 816968311 /nfs/dbraw/zinc/96/83/11/816968311.db2.gz FWUVIROZTZPZQQ-QWHCGFSZSA-N 2 0 284.400 1.076 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC[N@@H+]1C ZINC000870893157 816978793 /nfs/dbraw/zinc/97/87/93/816978793.db2.gz QKHLCGMLOBLTLC-VVSAWPALSA-N 2 0 265.401 1.055 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@@H]1CC[C@@H](C(F)(F)F)O1)C2 ZINC000721443592 817009576 /nfs/dbraw/zinc/00/95/76/817009576.db2.gz AZWFMMOGXKXFTG-OSUNSFLBSA-N 2 0 278.318 1.908 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)N2CCc3ccccc32)CC[C@@H]1C[NH3+] ZINC000923507945 817035107 /nfs/dbraw/zinc/03/51/07/817035107.db2.gz LJQUYSLHZDPQFS-UKRRQHHQSA-N 2 0 287.407 1.492 10 0 CDAERP COc1ccc([C@@H](C)[NH2+]CCN2CCC([NH3+])CC2)cc1O ZINC000925817759 817048339 /nfs/dbraw/zinc/04/83/39/817048339.db2.gz WOPSTHWRUQXCNG-GFCCVEGCSA-N 2 0 293.411 1.475 10 0 CDAERP C[C@@H]1C[N@H+](CCCOC(F)(F)F)C[C@H]1CC[NH3+] ZINC000723882412 817059876 /nfs/dbraw/zinc/05/98/76/817059876.db2.gz HSCICIPXAUZPJV-NXEZZACHSA-N 2 0 254.296 1.830 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)CC1 ZINC000925110971 817090856 /nfs/dbraw/zinc/09/08/56/817090856.db2.gz BCJDMQFHJSRDNW-CABCVRRESA-N 2 0 282.428 1.238 10 0 CDAERP [NH3+]CCCOC1CC[NH+](C[C@H](O)CC2CCCC2)CC1 ZINC000232148729 817096944 /nfs/dbraw/zinc/09/69/44/817096944.db2.gz XVTYFUVVJQMEMV-OAHLLOKOSA-N 2 0 284.444 1.757 10 0 CDAERP C[N@H+](CCCc1ccccc1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923304144 817097247 /nfs/dbraw/zinc/09/72/47/817097247.db2.gz USVQROXZOMANCG-MRXNPFEDSA-N 2 0 274.408 1.930 10 0 CDAERP COCC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC1CC1 ZINC000864456386 817139554 /nfs/dbraw/zinc/13/95/54/817139554.db2.gz HHDZQBJNEBRFKS-CYBMUJFWSA-N 2 0 268.405 1.011 10 0 CDAERP [NH3+][C@H]1C[C@@H](NCc2ccc3c(c2)C(=O)NCC3)C12CCC2 ZINC000925647770 817180324 /nfs/dbraw/zinc/18/03/24/817180324.db2.gz GWUIXMBLIBMNQL-LSDHHAIUSA-N 2 0 285.391 1.332 10 0 CDAERP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000872145674 817264307 /nfs/dbraw/zinc/26/43/07/817264307.db2.gz WFYAYMIEKDRTMM-XUXIUFHCSA-N 2 0 252.402 1.922 10 0 CDAERP C[C@@H](c1ccccc1F)N1CC[NH2+]CC[NH2+]CC1 ZINC000923460547 817287238 /nfs/dbraw/zinc/28/72/38/817287238.db2.gz FKZSWABIWIZSDB-LBPRGKRZSA-N 2 0 251.349 1.382 10 0 CDAERP CC(C)([NH3+])CCN[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925736196 817309846 /nfs/dbraw/zinc/30/98/46/817309846.db2.gz CTWCFDBOBJMDQU-KBPBESRZSA-N 2 0 253.434 1.872 10 0 CDAERP C[C@@](CN)([NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000923295560 817376124 /nfs/dbraw/zinc/37/61/24/817376124.db2.gz CMFGPTWFYISWLS-FBAPMCOASA-N 2 0 251.418 1.624 10 0 CDAERP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000926566602 817391213 /nfs/dbraw/zinc/39/12/13/817391213.db2.gz JQISSKRLIPTYAC-YPMHNXCESA-N 2 0 272.352 1.481 10 0 CDAERP COC[C@@H]1C[N@H+](Cc2cccnc2)CC12CC[NH2+]CC2 ZINC000169789814 817421388 /nfs/dbraw/zinc/42/13/88/817421388.db2.gz BKQJRGDAWQZHBY-HNNXBMFYSA-N 2 0 275.396 1.530 10 0 CDAERP O[C@H](C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)COCC1CC1 ZINC000925616678 817457114 /nfs/dbraw/zinc/45/71/14/817457114.db2.gz NBNHQEREEWKNEX-ZACQAIPSSA-N 2 0 296.455 1.532 10 0 CDAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1ccccn1)CC2 ZINC000923451452 817507804 /nfs/dbraw/zinc/50/78/04/817507804.db2.gz NXEFRLRQPQSBGV-AWEZNQCLSA-N 2 0 261.369 1.411 10 0 CDAERP Cc1coc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000881020912 817658128 /nfs/dbraw/zinc/65/81/28/817658128.db2.gz RLGYHPYUMBYDKR-ZIAGYGMSSA-N 2 0 293.411 1.399 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC1(CO)CCC1 ZINC000926655547 817674522 /nfs/dbraw/zinc/67/45/22/817674522.db2.gz BBOJEGNKXZKXKN-PBWFPOADSA-N 2 0 252.402 1.469 10 0 CDAERP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCOC(F)F)C1 ZINC000851797692 817692051 /nfs/dbraw/zinc/69/20/51/817692051.db2.gz FUFPYZUUWLYLGH-LBPRGKRZSA-N 2 0 280.359 1.658 10 0 CDAERP COC(=O)/C(C)=C\CN(C)CCC[NH+]1CCCC1 ZINC000799175767 817850304 /nfs/dbraw/zinc/85/03/04/817850304.db2.gz OSGAOGBIYBTINU-QPEQYQDCSA-N 2 0 254.374 1.523 10 0 CDAERP [NH2+]=C(NCc1ccc2c[nH+]cn2c1)NC[C@@H]1CCCO1 ZINC000849040320 817878023 /nfs/dbraw/zinc/87/80/23/817878023.db2.gz SWRYWHZCUXOPSM-ZDUSSCGKSA-N 2 0 273.340 1.127 10 0 CDAERP CC(C)CC[NH+]1CCC([NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)CC1 ZINC000926943135 817887761 /nfs/dbraw/zinc/88/77/61/817887761.db2.gz SVNIXAWVGDXTTG-OIISXLGYSA-N 2 0 296.455 1.890 10 0 CDAERP O=C(N[C@H]1C[C@H]([NH2+]CCCF)C1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001566794342 1168036314 /nfs/dbraw/zinc/03/63/14/1168036314.db2.gz ABCHKLGNUXDGON-ZQDZILKHSA-N 2 0 297.418 1.600 10 0 CDAERP CC(C)[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001568369389 1168109227 /nfs/dbraw/zinc/10/92/27/1168109227.db2.gz JWUPMHONXKFJJL-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP CCCC[N@H+](C)CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001566454234 1168283910 /nfs/dbraw/zinc/28/39/10/1168283910.db2.gz ONWMDXMQDHKZQL-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP CO[C@H](C)C[N@H+](C)CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001566479794 1168294386 /nfs/dbraw/zinc/29/43/86/1168294386.db2.gz DCLZWZKEIPDTSZ-CQSZACIVSA-N 2 0 299.459 1.334 10 0 CDAERP C[NH+](C)CCCC(=O)N1CCC[C@@H](C[NH2+]CCF)C1 ZINC001566903789 1168461329 /nfs/dbraw/zinc/46/13/29/1168461329.db2.gz UYROWQAZQVTJHN-ZDUSSCGKSA-N 2 0 273.396 1.126 10 0 CDAERP CC[N@H+](C)C[C@H](O)CN1CC[NH+](C2CCCC2)[C@H](C)C1 ZINC001365337938 913066790 /nfs/dbraw/zinc/06/67/90/913066790.db2.gz BUSKEGZBPGJZCD-ZBFHGGJFSA-N 2 0 283.460 1.248 10 0 CDAERP [NH3+]CC1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)CC1 ZINC001647439150 1168690156 /nfs/dbraw/zinc/69/01/56/1168690156.db2.gz KAUSBKMYBCGXBM-ZRRUAHMRSA-N 2 0 286.441 1.202 10 0 CDAERP CCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001266248605 893911768 /nfs/dbraw/zinc/91/17/68/893911768.db2.gz PERDGMYBDUPXOQ-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001266349462 894497194 /nfs/dbraw/zinc/49/71/94/894497194.db2.gz GZEALLLPMAMFMS-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1C[C@@H]([NH2+]CC=C(C)C)C1 ZINC001266688655 895830437 /nfs/dbraw/zinc/83/04/37/895830437.db2.gz QZJLGUAEOYTDAP-ZNMIVQPWSA-N 2 0 299.434 1.869 10 0 CDAERP C[C@H](CN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)[N@H+](C)C1CC1 ZINC000693714140 897210305 /nfs/dbraw/zinc/21/03/05/897210305.db2.gz ROTCPDQSMOADOS-REBRKWNGSA-N 2 0 265.445 1.835 10 0 CDAERP CC(C)[N@H+](CCCF)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001267514271 898197889 /nfs/dbraw/zinc/19/78/89/898197889.db2.gz LCHUVKNMFNDYAC-AWEZNQCLSA-N 2 0 287.423 1.514 10 0 CDAERP CCCC[N@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001481170604 899040919 /nfs/dbraw/zinc/04/09/19/899040919.db2.gz RQEVNJBMBPNLAX-INIZCTEOSA-N 2 0 293.455 1.709 10 0 CDAERP COc1ccccc1OCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000695236577 899162795 /nfs/dbraw/zinc/16/27/95/899162795.db2.gz LMYKSBAZGOQHKU-GJZGRUSLSA-N 2 0 276.380 1.934 10 0 CDAERP CC/C=C/CCN1CC(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267667445 899213064 /nfs/dbraw/zinc/21/30/64/899213064.db2.gz XQOJKNYZPXXIQE-HSBSLETESA-N 2 0 267.417 1.483 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCCCF)C1 ZINC001267716956 899362421 /nfs/dbraw/zinc/36/24/21/899362421.db2.gz PSHBXMBIIMMIAJ-ILXRZTDVSA-N 2 0 297.418 1.363 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1(C[NH2+]CCF)CCCC1 ZINC001267837302 899843996 /nfs/dbraw/zinc/84/39/96/899843996.db2.gz KLWMXQPAYJBPQP-AWEZNQCLSA-N 2 0 299.434 1.847 10 0 CDAERP CC(C)C[NH2+]CCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001481286446 900093317 /nfs/dbraw/zinc/09/33/17/900093317.db2.gz KFTUFXUBMFUATC-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[C@H](C(=O)N(C)CC[NH2+]C/C=C\Cl)[NH+](C)C ZINC001481306062 900310697 /nfs/dbraw/zinc/31/06/97/900310697.db2.gz FJXSYKVUVHWXID-ZHRWSRJISA-N 2 0 275.824 1.373 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H]1CC[NH+](CC)C1 ZINC001481433892 900656796 /nfs/dbraw/zinc/65/67/96/900656796.db2.gz DEUCAVHVSKYLSG-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP CN(CCC[NH2+]CCCF)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001268812956 903149790 /nfs/dbraw/zinc/14/97/90/903149790.db2.gz MYRBFGUQVMHSRT-UHFFFAOYSA-N 2 0 287.423 1.659 10 0 CDAERP CC[C@H](C(=O)N(C)CCC[NH2+]CC1CC1)[NH+](C)C ZINC001268916155 903242560 /nfs/dbraw/zinc/24/25/60/903242560.db2.gz ZDENDSFGGNESPB-CYBMUJFWSA-N 2 0 255.406 1.175 10 0 CDAERP Cc1oncc1C[NH2+]CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001268949907 903260867 /nfs/dbraw/zinc/26/08/67/903260867.db2.gz FDCNROOSRVRFNW-UHFFFAOYSA-N 2 0 294.399 1.017 10 0 CDAERP CCC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC1 ZINC001269072032 903390897 /nfs/dbraw/zinc/39/08/97/903390897.db2.gz VXUNDBZNFVJXQI-RRFJBIMHSA-N 2 0 281.444 1.611 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001269261812 903619352 /nfs/dbraw/zinc/61/93/52/903619352.db2.gz CSPRAQNALYXAPF-LGZALOBFSA-N 2 0 293.455 1.970 10 0 CDAERP CCC[NH2+][C@@H](CC)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001269471026 903841080 /nfs/dbraw/zinc/84/10/80/903841080.db2.gz FBHNNBMHIBCPAD-OLZOCXBDSA-N 2 0 255.406 1.223 10 0 CDAERP CCCCC[NH+]1CC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001567829609 1169001349 /nfs/dbraw/zinc/00/13/49/1169001349.db2.gz CBNGVVSPJDZAIW-INIZCTEOSA-N 2 0 293.455 1.566 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC(CC[NH2+]CC)CC1 ZINC001269935444 904221256 /nfs/dbraw/zinc/22/12/56/904221256.db2.gz PWHXPESXAFOFRC-UHFFFAOYSA-N 2 0 269.433 1.566 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001482432237 905384987 /nfs/dbraw/zinc/38/49/87/905384987.db2.gz FLOLKLAIKPQUOM-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H](CC[NH2+]C/C=C\Cl)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001482860080 908430677 /nfs/dbraw/zinc/43/06/77/908430677.db2.gz FDYYOSQKSHRDIR-MGNMTHHWSA-N 2 0 273.808 1.318 10 0 CDAERP CC[NH2+]CC1CC(NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001409271034 909379043 /nfs/dbraw/zinc/37/90/43/909379043.db2.gz ZCNYHTPQOWERPH-BPCQOVAHSA-N 2 0 273.396 1.171 10 0 CDAERP C[C@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001483116468 909467575 /nfs/dbraw/zinc/46/75/75/909467575.db2.gz JXXNGSFEAKTHDM-OLZOCXBDSA-N 2 0 269.433 1.611 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@H](C)[NH2+]C/C=C\Cl ZINC001409431879 910402197 /nfs/dbraw/zinc/40/21/97/910402197.db2.gz USCDQVJSGYUHHV-CNNCQTGTSA-N 2 0 275.824 1.564 10 0 CDAERP CC(C)C[N@H+](C)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001409592742 910532866 /nfs/dbraw/zinc/53/28/66/910532866.db2.gz MDQBWUBSKZXXAP-CQSZACIVSA-N 2 0 283.460 1.953 10 0 CDAERP COc1ccccc1OCC[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000165321553 910701706 /nfs/dbraw/zinc/70/17/06/910701706.db2.gz QTQZTNPUZNQWCX-ZIAGYGMSSA-N 2 0 278.396 1.991 10 0 CDAERP CC(C)COCC[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001484058396 915358257 /nfs/dbraw/zinc/35/82/57/915358257.db2.gz RCFXWSMMCIQHBC-MRXNPFEDSA-N 2 0 299.459 1.191 10 0 CDAERP CC[N@@H+]1CCC[C@](C)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001484174404 915491053 /nfs/dbraw/zinc/49/10/53/915491053.db2.gz PNWIRRVSROPOIW-GDBMZVCRSA-N 2 0 281.444 1.566 10 0 CDAERP CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCCC[NH+](C)C ZINC001484462711 915790031 /nfs/dbraw/zinc/79/00/31/915790031.db2.gz DHTMKHLMMQHKOL-CABCVRRESA-N 2 0 281.444 1.804 10 0 CDAERP CC[C@@H](C[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)C1)OC ZINC001365946581 916112878 /nfs/dbraw/zinc/11/28/78/916112878.db2.gz AZWGKZABGARRDN-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1C/C=C/Cl ZINC001484980521 916354383 /nfs/dbraw/zinc/35/43/83/916354383.db2.gz HCHYFBWHPCAOIX-GPEUJJIWSA-N 2 0 287.835 1.660 10 0 CDAERP CO[C@H](C)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001484997643 916358955 /nfs/dbraw/zinc/35/89/55/916358955.db2.gz TYHIUAOXHIGKKG-XQLPTFJDSA-N 2 0 299.459 1.236 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC1(C[NH2+]C[C@@H](C)O)CCCCC1 ZINC001485458860 916989237 /nfs/dbraw/zinc/98/92/37/916989237.db2.gz HCQGMAPASFBIAD-CQSZACIVSA-N 2 0 299.459 1.116 10 0 CDAERP CC[C@H](C(=O)NCC[N@H+](C)CCc1ccns1)[NH+](C)C ZINC001366541689 917590000 /nfs/dbraw/zinc/59/00/00/917590000.db2.gz RCRIHMBYTSTRNX-CYBMUJFWSA-N 2 0 298.456 1.074 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCF ZINC001568282275 1169220744 /nfs/dbraw/zinc/22/07/44/1169220744.db2.gz GMBDTYHTSZCCEN-KGLIPLIRSA-N 2 0 287.423 1.513 10 0 CDAERP C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1C[NH+](CCCF)C1 ZINC001409948549 920486522 /nfs/dbraw/zinc/48/65/22/920486522.db2.gz SBVRWDGYRGAVBQ-CHWSQXEVSA-N 2 0 285.407 1.124 10 0 CDAERP CC(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC001486229673 920817536 /nfs/dbraw/zinc/81/75/36/920817536.db2.gz XXNFMYACEQXLNU-LSDHHAIUSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@@H]1C[N@H+](C[C@@H]2COc3ccccc3O2)CC[C@@H]1C[NH3+] ZINC000709687335 923210414 /nfs/dbraw/zinc/21/04/14/923210414.db2.gz QOBGOSZACGJLAZ-MGPQQGTHSA-N 2 0 276.380 1.743 10 0 CDAERP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1CCC[C@H](CO)C1)[NH2+]2 ZINC000709287892 923212748 /nfs/dbraw/zinc/21/27/48/923212748.db2.gz MGAHUZJFJWIZPH-DBWOOVFOSA-N 2 0 252.402 1.656 10 0 CDAERP C[NH+](C)CC1(O)CC[NH+](CCSC(F)(F)F)CC1 ZINC000710629785 923254400 /nfs/dbraw/zinc/25/44/00/923254400.db2.gz BWMXNGWJWZROCD-UHFFFAOYSA-N 2 0 286.363 1.628 10 0 CDAERP C[N@H+](CC(=O)N[C@H]1C[C@H]([NH2+]CCCF)C1)CC(C)(C)C ZINC001490928280 936832180 /nfs/dbraw/zinc/83/21/80/936832180.db2.gz LHYIKSDFCRHKAN-JOCQHMNTSA-N 2 0 287.423 1.561 10 0 CDAERP CC(C)=CC[N@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001491120564 936859117 /nfs/dbraw/zinc/85/91/17/936859117.db2.gz RKHCSWAFGAXDJH-HNNXBMFYSA-N 2 0 281.444 1.733 10 0 CDAERP CO[C@H](C)C[NH2+]C[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001491190093 936871680 /nfs/dbraw/zinc/87/16/80/936871680.db2.gz HRXSCEYSHMSFMQ-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP COCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001491252179 936884010 /nfs/dbraw/zinc/88/40/10/936884010.db2.gz KFNDSVAQBZPLLP-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CCF ZINC001568391147 1169270557 /nfs/dbraw/zinc/27/05/57/1169270557.db2.gz YIEAOKQJNSWBTG-UONOGXRCSA-N 2 0 285.407 1.411 10 0 CDAERP CCN(CC[NH2+]C/C=C/Cl)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001273751966 925213612 /nfs/dbraw/zinc/21/36/12/925213612.db2.gz AXTIHWHXAXEJRW-FUEXJSSKSA-N 2 0 273.808 1.129 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2)C1 ZINC001410224180 925419016 /nfs/dbraw/zinc/41/90/16/925419016.db2.gz WVFRHFUFLOKHAN-WKILWMFISA-N 2 0 289.423 1.623 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001488651937 926636846 /nfs/dbraw/zinc/63/68/46/926636846.db2.gz CGZDKMVDHUPQBK-LFAOLKIESA-N 2 0 281.444 1.827 10 0 CDAERP CC[N@@H+]1CC[C@]2(NC(=O)CC[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001410896271 926743569 /nfs/dbraw/zinc/74/35/69/926743569.db2.gz KJZRWJABNAJTBD-BFYDXBDKSA-N 2 0 293.455 1.994 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001490270336 927065999 /nfs/dbraw/zinc/06/59/99/927065999.db2.gz LNFMNAQYPZEXNB-ZDUSSCGKSA-N 2 0 285.407 1.268 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)CCF ZINC001490216739 927066594 /nfs/dbraw/zinc/06/65/94/927066594.db2.gz VNNWIZIILGUVMG-CQSZACIVSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1ncc[nH]1 ZINC000850500269 927437689 /nfs/dbraw/zinc/43/76/89/927437689.db2.gz FGSHRZOLYPGJGH-QWHCGFSZSA-N 2 0 267.421 1.332 10 0 CDAERP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C=C2CC[NH2+]CC2)C1 ZINC000852861845 927898458 /nfs/dbraw/zinc/89/84/58/927898458.db2.gz LAZAYNRIIRSTSZ-AWEZNQCLSA-N 2 0 293.455 1.923 10 0 CDAERP CC(C)(CO)CC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693741025 937251474 /nfs/dbraw/zinc/25/14/74/937251474.db2.gz ZJGHHXKYKLAXPH-FRRDWIJNSA-N 2 0 254.418 1.761 10 0 CDAERP CC[N@H+](CCN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)C1CC1 ZINC000693712592 937251054 /nfs/dbraw/zinc/25/10/54/937251054.db2.gz KPWXXWLWAKMIPL-QLFBSQMISA-N 2 0 265.445 1.837 10 0 CDAERP CCOC(=O)C1=CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000863544150 929567631 /nfs/dbraw/zinc/56/76/31/929567631.db2.gz MNEZDOQGTNEEIB-APIJFGDWSA-N 2 0 278.396 1.616 10 0 CDAERP CC(C)[C@@H](C(=O)NC/C=C\C[NH2+]CC1CC(C)C1)[NH+](C)C ZINC001274104863 931172445 /nfs/dbraw/zinc/17/24/45/931172445.db2.gz DLPARXYAGNGGAA-LAIDKTGSSA-N 2 0 295.471 1.881 10 0 CDAERP C[C@@H]([NH3+])CCc1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000823168241 931268945 /nfs/dbraw/zinc/26/89/45/931268945.db2.gz SRGVLPLNBQLKFT-SECBINFHSA-N 2 0 257.297 1.664 10 0 CDAERP C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1[NH2+]CCCF ZINC001274251497 931485071 /nfs/dbraw/zinc/48/50/71/931485071.db2.gz PKDQNVWLKOHUNM-QWHCGFSZSA-N 2 0 285.407 1.124 10 0 CDAERP CC1(C)CC(C[NH2+]C/C=C\CNC(=O)C[NH+]2CCCC2)C1 ZINC001274578644 931511556 /nfs/dbraw/zinc/51/15/56/931511556.db2.gz LJOGBLBUEBPNFO-ARJAWSKDSA-N 2 0 293.455 1.780 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001274644430 931529130 /nfs/dbraw/zinc/52/91/30/931529130.db2.gz QJNHEQWUDJEWAI-OLZOCXBDSA-N 2 0 255.406 1.317 10 0 CDAERP C[N@@H+]1CCN(C(=O)CC2CC([NH3+])C2)CCC1(C)C ZINC000718091238 931584910 /nfs/dbraw/zinc/58/49/10/931584910.db2.gz KWRWDYIZQBNSHO-UHFFFAOYSA-N 2 0 253.390 1.057 10 0 CDAERP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]CCCF)[NH+](C)C ZINC001275417205 931781767 /nfs/dbraw/zinc/78/17/67/931781767.db2.gz CYMSYCQEIYFRSR-NWDGAFQWSA-N 2 0 261.385 1.027 10 0 CDAERP CCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001275592996 931899597 /nfs/dbraw/zinc/89/95/97/931899597.db2.gz WMBJTYYJEFVWJM-STQMWFEESA-N 2 0 255.406 1.317 10 0 CDAERP C[NH2+]CCCCC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000719726812 932245071 /nfs/dbraw/zinc/24/50/71/932245071.db2.gz AXIAVYXZRVHYII-QWHCGFSZSA-N 2 0 255.406 1.365 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)NCC[C@@H]2CCC[NH+](C)C2)C1 ZINC001412216439 932329142 /nfs/dbraw/zinc/32/91/42/932329142.db2.gz LFOZHZQFYDFLMZ-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1CSCCS1 ZINC000234728543 932583605 /nfs/dbraw/zinc/58/36/05/932583605.db2.gz JDQXZMQSUBFQKV-MNOVXSKESA-N 2 0 264.460 1.179 10 0 CDAERP CCN(C(=O)N[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@H+](CC)C1 ZINC000925343839 932875957 /nfs/dbraw/zinc/87/59/57/932875957.db2.gz QVEDUJRVICCEAH-HZSPNIEDSA-N 2 0 282.432 1.205 10 0 CDAERP C[C@H]1[NH2+]CCC[C@H]1Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000925596923 932911655 /nfs/dbraw/zinc/91/16/55/932911655.db2.gz VKYYQTFMDYHYDY-BXUZGUMPSA-N 2 0 257.341 1.820 10 0 CDAERP OC[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925691077 932927233 /nfs/dbraw/zinc/92/72/33/932927233.db2.gz LPJPAYPEXMUHFY-MCIONIFRSA-N 2 0 252.402 1.802 10 0 CDAERP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925726935 932933712 /nfs/dbraw/zinc/93/37/12/932933712.db2.gz MBWTWJNIEQSLQX-NGFQHRJXSA-N 3 0 251.418 1.482 10 0 CDAERP COC(=O)c1cnc([C@@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)s1 ZINC000925799598 932940175 /nfs/dbraw/zinc/94/01/75/932940175.db2.gz ZPAYOSHYARMXDN-GMTAPVOTSA-N 2 0 297.424 1.826 10 0 CDAERP CN(C)[C@H](CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1)C(F)(F)F ZINC000925836757 932944190 /nfs/dbraw/zinc/94/41/90/932944190.db2.gz MJNJAESSJRKFQN-HBNTYKKESA-N 2 0 267.339 1.729 10 0 CDAERP C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925857199 932946777 /nfs/dbraw/zinc/94/67/77/932946777.db2.gz ULIGZIFHJYQRKL-JHJVBQTASA-N 2 0 266.385 1.450 10 0 CDAERP CCc1onc(C)c1C[NH2+][C@H](CCC[NH3+])COC ZINC000925891181 932949534 /nfs/dbraw/zinc/94/95/34/932949534.db2.gz UGUXVESZAKDJHR-LLVKDONJSA-N 2 0 255.362 1.389 10 0 CDAERP C[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCc2ccccc2C1 ZINC000928560167 933159504 /nfs/dbraw/zinc/15/95/04/933159504.db2.gz PBTWJXJTTNIRJC-MRXNPFEDSA-N 2 0 287.407 1.255 10 0 CDAERP C[N@@H+]1CC[C@]2(CC[NH+](CCOC3CCSCC3)C2)C1 ZINC000930555274 933400980 /nfs/dbraw/zinc/40/09/80/933400980.db2.gz LYLHFPAMTVVFRY-HNNXBMFYSA-N 2 0 284.469 1.926 10 0 CDAERP CN(C[C@H]1CCC[N@@H+]1C)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC001119609050 937738704 /nfs/dbraw/zinc/73/87/04/937738704.db2.gz ZILJWRDEPQNQNJ-WOPDTQHZSA-N 2 0 294.365 1.139 10 0 CDAERP CO[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000687343721 934279656 /nfs/dbraw/zinc/27/96/56/934279656.db2.gz SWNWHQPXRPKNST-ARFHVFGLSA-N 2 0 283.460 1.416 10 0 CDAERP CO[C@H]1CCC[C@@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000687372768 934285304 /nfs/dbraw/zinc/28/53/04/934285304.db2.gz UQOUMTIUUYQAQF-KBPBESRZSA-N 2 0 269.433 1.170 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC001412816532 934378133 /nfs/dbraw/zinc/37/81/33/934378133.db2.gz MPSJVBBBQPWHEX-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@H](F)C[NH2+]CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001276332152 935015676 /nfs/dbraw/zinc/01/56/76/935015676.db2.gz AECZZHRYGVAKPA-ZDUSSCGKSA-N 2 0 285.407 1.268 10 0 CDAERP Nc1nc(NC[C@H]2CC[N@@H+]2C2CCCCCC2)nc(N)[nH+]1 ZINC001412907123 935086285 /nfs/dbraw/zinc/08/62/85/935086285.db2.gz VOPWJZWTFXWPHF-LLVKDONJSA-N 2 0 291.403 1.245 10 0 CDAERP C[NH+](C)CCCC(C)(C)NC(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001412976047 935133895 /nfs/dbraw/zinc/13/38/95/935133895.db2.gz GGYKERYXIVIZEG-ZDUSSCGKSA-N 2 0 287.423 1.657 10 0 CDAERP O=C(CC[N@H+]1CC[C@H](F)C1)N[C@H]1CCC[NH+]2CCCC[C@H]12 ZINC001413222693 935956326 /nfs/dbraw/zinc/95/63/26/935956326.db2.gz MLXGCKCZYSDSEE-SOUVJXGZSA-N 2 0 297.418 1.553 10 0 CDAERP CC1(C)CCN(C(=O)C[NH+]2CCCC2)CC(C)(C)[NH2+]1 ZINC001124023030 936269678 /nfs/dbraw/zinc/26/96/78/936269678.db2.gz DHGVRGPMEDYWBJ-UHFFFAOYSA-N 2 0 267.417 1.461 10 0 CDAERP c1cc(N2CCC[C@@H]([NH2+]C3CCOCC3)C2)cc[nH+]1 ZINC001120786641 937835748 /nfs/dbraw/zinc/83/57/48/937835748.db2.gz PIYXWBHXFAMEPB-CQSZACIVSA-N 2 0 261.369 1.819 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000250321237 938951879 /nfs/dbraw/zinc/95/18/79/938951879.db2.gz NETLVDJZLWUHFX-AGIUHOORSA-N 2 0 253.390 1.104 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C1C[NH+](CC(C)C)C1)[NH+](C)C ZINC001276452912 939754145 /nfs/dbraw/zinc/75/41/45/939754145.db2.gz HGFJUGFGWQKQPZ-TZMCWYRMSA-N 2 0 269.433 1.419 10 0 CDAERP C[C@@H]1CC[C@H]([NH2+]CCC2(C[NH3+])CC2)[C@H](n2cncn2)C1 ZINC001649860047 1169442351 /nfs/dbraw/zinc/44/23/51/1169442351.db2.gz ABWNYCNTMIGKAL-HZSPNIEDSA-N 2 0 277.416 1.726 10 0 CDAERP COCCC[NH+]1CCC(NC(=O)[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000167268556 940726138 /nfs/dbraw/zinc/72/61/38/940726138.db2.gz XPNYOBTXBORNSI-LSDHHAIUSA-N 2 0 297.443 1.121 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001276808765 941393156 /nfs/dbraw/zinc/39/31/56/941393156.db2.gz BRSBTSPWXNPSFO-ZIAGYGMSSA-N 2 0 267.417 1.461 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)c1cccc(CC[NH+](C)C)c1 ZINC001362058663 970830566 /nfs/dbraw/zinc/83/05/66/970830566.db2.gz CWDXEKSKKRYTRZ-UHFFFAOYSA-N 2 0 291.439 1.861 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001362092380 970876107 /nfs/dbraw/zinc/87/61/07/970876107.db2.gz VHCHFKIRNIGOQE-KBPBESRZSA-N 2 0 285.407 1.411 10 0 CDAERP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001362123908 970915982 /nfs/dbraw/zinc/91/59/82/970915982.db2.gz GTKPWJOIYHTOIH-BFHYXJOUSA-N 2 0 285.407 1.409 10 0 CDAERP CCC[NH2+][C@@H](C)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001282143255 942667969 /nfs/dbraw/zinc/66/79/69/942667969.db2.gz SEJIBBXMYBSUDY-RYUDHWBXSA-N 2 0 255.406 1.364 10 0 CDAERP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@@H](C)[NH2+]CCCF ZINC001282186343 942675140 /nfs/dbraw/zinc/67/51/40/942675140.db2.gz UGCNMEHKSJJBFT-VXGBXAGGSA-N 2 0 273.396 1.171 10 0 CDAERP CC[NH2+][C@H](CCNC(=O)C1([NH+](C)C)CCC1)C(C)C ZINC001283449316 942898371 /nfs/dbraw/zinc/89/83/71/942898371.db2.gz BYIKUVZJKQVVOX-CYBMUJFWSA-N 2 0 269.433 1.611 10 0 CDAERP CCOCC[NH2+][C@@H](C)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001283676578 942964369 /nfs/dbraw/zinc/96/43/69/942964369.db2.gz BPRQTFAOFXUKPB-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP CN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@H]1CCC[N@H+](C)C1 ZINC001362178090 970979687 /nfs/dbraw/zinc/97/96/87/970979687.db2.gz OZRXQZKTFJBUCO-KFWWJZLASA-N 2 0 281.444 1.659 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001263836538 943995280 /nfs/dbraw/zinc/99/52/80/943995280.db2.gz CJJFMVPMJXPRTI-XHSDSOJGSA-N 2 0 293.455 1.921 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]2C[NH2+]CCC2CC2)C1 ZINC001277941727 944140202 /nfs/dbraw/zinc/14/02/02/944140202.db2.gz RJHWJGCSLFCPCU-ZBFHGGJFSA-N 2 0 293.455 1.709 10 0 CDAERP C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1ccccn1 ZINC001264970503 944186161 /nfs/dbraw/zinc/18/61/61/944186161.db2.gz SCYLQQCPSSMSGM-OAHLLOKOSA-N 2 0 290.411 1.114 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001265422537 944381391 /nfs/dbraw/zinc/38/13/91/944381391.db2.gz PVDPRBNWICXJKI-QWHCGFSZSA-N 2 0 253.390 1.071 10 0 CDAERP CC(C)[NH2+][C@H]1C[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001265503028 944412027 /nfs/dbraw/zinc/41/20/27/944412027.db2.gz GEAVEVXSIYWJNK-JOCQHMNTSA-N 2 0 255.406 1.364 10 0 CDAERP C[NH+](C)C1(C(=O)N2CCC[C@H](C[NH2+]CCF)C2)CCC1 ZINC001265613564 944447585 /nfs/dbraw/zinc/44/75/85/944447585.db2.gz RDYHCVLQFFWPFR-CYBMUJFWSA-N 2 0 285.407 1.268 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]2C[NH2+]CCC(C)(C)C)C1 ZINC001277997104 944540380 /nfs/dbraw/zinc/54/03/80/944540380.db2.gz IASNOSJAJITNMI-GJZGRUSLSA-N 2 0 295.471 1.955 10 0 CDAERP CCCC[NH2+][C@H]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001266067336 944662172 /nfs/dbraw/zinc/66/21/72/944662172.db2.gz KYSGIQSROWLKQC-UONOGXRCSA-N 2 0 269.433 1.755 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](CC)C1CC1 ZINC001266141793 944711039 /nfs/dbraw/zinc/71/10/39/944711039.db2.gz UUKXCIYKWFLAPS-OAHLLOKOSA-N 2 0 281.444 1.851 10 0 CDAERP CC(C)C[NH2+]CC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC001261502650 946149222 /nfs/dbraw/zinc/14/92/22/946149222.db2.gz UIWSZFCWBFOQIZ-OLZOCXBDSA-N 2 0 255.406 1.173 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)C1 ZINC001362466147 971303309 /nfs/dbraw/zinc/30/33/09/971303309.db2.gz XZQJFIBEMMJVTD-XGUBFFRZSA-N 2 0 279.428 1.269 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCCCCF)C2)C1 ZINC001479415214 971322453 /nfs/dbraw/zinc/32/24/53/971322453.db2.gz PPHKHLYYMNRAHW-KKUMJFAQSA-N 2 0 299.434 1.562 10 0 CDAERP C[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)[C@H](C[NH2+]CCF)C1 ZINC001479581179 971343133 /nfs/dbraw/zinc/34/31/33/971343133.db2.gz QLVBLWACYFSDIQ-KFWWJZLASA-N 2 0 299.434 1.514 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001479717703 971381094 /nfs/dbraw/zinc/38/10/94/971381094.db2.gz MZDKTXQPPOYQMH-KGLIPLIRSA-N 2 0 267.417 1.483 10 0 CDAERP CCCCC[N@@H+]1CC[C@](O)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001278806300 947600833 /nfs/dbraw/zinc/60/08/33/947600833.db2.gz YFVNKFPRXPYXJQ-HOCLYGCPSA-N 2 0 299.459 1.070 10 0 CDAERP CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001278406637 947661441 /nfs/dbraw/zinc/66/14/41/947661441.db2.gz ZLSLOAQUPDZVAQ-TZMCWYRMSA-N 2 0 255.406 1.317 10 0 CDAERP C[C@H]1C[C@H]([NH2+]CCCF)CN1C(=O)C[NH+]1CCCC1 ZINC001278423202 947882676 /nfs/dbraw/zinc/88/26/76/947882676.db2.gz IHTAGBSYEWJHNR-STQMWFEESA-N 2 0 271.380 1.021 10 0 CDAERP CC[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)C(C)C ZINC001479847903 971451791 /nfs/dbraw/zinc/45/17/91/971451791.db2.gz FARBYFAFJDPMFM-UHFFFAOYSA-N 2 0 281.444 1.851 10 0 CDAERP COCC[NH2+]C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)(C)C ZINC001279003458 948559112 /nfs/dbraw/zinc/55/91/12/948559112.db2.gz ZOJGLNFDRSRSMA-ZIAGYGMSSA-N 2 0 299.459 1.095 10 0 CDAERP C[C@H]([NH2+]CCCF)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001279017555 948607752 /nfs/dbraw/zinc/60/77/52/948607752.db2.gz LOFBOESTDVHEIQ-UONOGXRCSA-N 2 0 299.434 1.514 10 0 CDAERP CCN1CC[C@@H]1C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC001362689461 971531536 /nfs/dbraw/zinc/53/15/36/971531536.db2.gz XWXPDHDBUGUMHW-NUEKZKHPSA-N 2 0 289.423 1.888 10 0 CDAERP COCCC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001480153972 971604191 /nfs/dbraw/zinc/60/41/91/971604191.db2.gz UOAIQVMSRWPYPY-HDJSIYSDSA-N 2 0 297.443 1.134 10 0 CDAERP CC[NH+](CC)CC(=O)N1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001362776419 971610703 /nfs/dbraw/zinc/61/07/03/971610703.db2.gz WAOLJUMGAUJUSN-MRXNPFEDSA-N 2 0 289.423 1.371 10 0 CDAERP C[NH+](C)CC1(C(=O)N2CC[C@](C)(C[NH2+]CCCF)C2)CC1 ZINC001278542281 949855608 /nfs/dbraw/zinc/85/56/08/949855608.db2.gz LBRSDFYDXONYRU-OAHLLOKOSA-N 2 0 299.434 1.516 10 0 CDAERP C[NH+](C)[C@@H]1C[C@@H](NC(=O)CC[N@@H+]2CC[C@@H](F)C2)C1(C)C ZINC001362827244 971648685 /nfs/dbraw/zinc/64/86/85/971648685.db2.gz MMYUAADDSVIYKA-JHJVBQTASA-N 2 0 285.407 1.265 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001480275521 971656418 /nfs/dbraw/zinc/65/64/18/971656418.db2.gz BJNLORHWKGZMQW-JKSUJKDBSA-N 2 0 293.455 1.875 10 0 CDAERP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[NH+](CCC2CC2)CC1 ZINC001480358606 971686905 /nfs/dbraw/zinc/68/69/05/971686905.db2.gz GNVWMDQVQXGCHP-MRXNPFEDSA-N 2 0 291.439 1.273 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CCCC[C@@H]1C[NH2+]CCF ZINC001480368272 971690459 /nfs/dbraw/zinc/69/04/59/971690459.db2.gz WYUPZFOHRHPESR-CYBMUJFWSA-N 2 0 271.380 1.022 10 0 CDAERP CC[N@H+]1[C@H](C)CN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)C[C@@H]1C ZINC001362980455 971782102 /nfs/dbraw/zinc/78/21/02/971782102.db2.gz UIWDUVRUCHTALR-NMWPEEMBSA-N 2 0 281.444 1.800 10 0 CDAERP CC(C)CCC[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001480658389 971827731 /nfs/dbraw/zinc/82/77/31/971827731.db2.gz DKVNZYIGKDKHAX-HNNXBMFYSA-N 2 0 283.460 1.812 10 0 CDAERP C[NH+]1CCC(CC(=O)N2CC[C@H](C[NH2+]CCCF)C2)CC1 ZINC001480667224 971831982 /nfs/dbraw/zinc/83/19/82/971831982.db2.gz DHSNKSCAIDMQEB-OAHLLOKOSA-N 2 0 299.434 1.516 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001363109448 971895392 /nfs/dbraw/zinc/89/53/92/971895392.db2.gz NXKQCSFAUITMIQ-RRFJBIMHSA-N 2 0 283.460 1.953 10 0 CDAERP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)CC[NH+]1CC[C@@H](F)C1 ZINC001363139910 971919636 /nfs/dbraw/zinc/91/96/36/971919636.db2.gz PNGBOOATNCBDSN-KGLIPLIRSA-N 2 0 299.434 1.657 10 0 CDAERP CC[N@H+](CCNC(=O)CC[NH+](C)C)CC1CCCCC1 ZINC001493010438 971920778 /nfs/dbraw/zinc/92/07/78/971920778.db2.gz UBBIZNBOYYZFAA-UHFFFAOYSA-N 2 0 283.460 1.957 10 0 CDAERP CCC[NH2+]C[C@@]1(C)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001324788597 953575985 /nfs/dbraw/zinc/57/59/85/953575985.db2.gz JWEKQHFCZHZSNA-GDBMZVCRSA-N 2 0 281.444 1.566 10 0 CDAERP CC[N@@H+]1CCC[C@](C)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001324971732 953663080 /nfs/dbraw/zinc/66/30/80/953663080.db2.gz JVCOWVRJLBHBIM-MRXNPFEDSA-N 2 0 283.460 1.957 10 0 CDAERP CCCC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001493138434 971953901 /nfs/dbraw/zinc/95/39/01/971953901.db2.gz SPKDEGGDGHCSRC-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1CC[C@@H](C)F ZINC001493149844 971962497 /nfs/dbraw/zinc/96/24/97/971962497.db2.gz RJCZRGPWXHMWDX-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)OCC[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001363853784 953921099 /nfs/dbraw/zinc/92/10/99/953921099.db2.gz SZYZFSKYUKYJJT-UHFFFAOYSA-N 2 0 284.444 1.724 10 0 CDAERP CCCC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001325550826 953958833 /nfs/dbraw/zinc/95/88/33/953958833.db2.gz AEPHDEAZHCNRMT-LSDHHAIUSA-N 2 0 283.460 1.812 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCCC[NH+](C)C2)C1 ZINC001363989544 954104897 /nfs/dbraw/zinc/10/48/97/954104897.db2.gz GBZAWNSNQOOIKE-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP CCCC[N@H+](CCC)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001493290377 972010163 /nfs/dbraw/zinc/01/01/63/972010163.db2.gz HBOSHQNBCVIQQP-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP C[NH2+]C1CCN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001326568528 954435280 /nfs/dbraw/zinc/43/52/80/954435280.db2.gz ZVVYRTODEVOHPY-QXMXGUDHSA-N 2 0 265.401 1.118 10 0 CDAERP O=C(CC[N@H+]1CC[C@H](F)C1)NCC12CCC[NH+](CCC1)C2 ZINC001364305777 954445370 /nfs/dbraw/zinc/44/53/70/954445370.db2.gz KGUQZHTUYSIAHJ-AWEZNQCLSA-N 2 0 297.418 1.413 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC2(C1)CC[NH+](CC)CC2 ZINC001326604473 954450509 /nfs/dbraw/zinc/45/05/09/954450509.db2.gz URWHUXGGCBVLHO-UHFFFAOYSA-N 2 0 267.417 1.273 10 0 CDAERP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)CC1CC1 ZINC001493314752 972016373 /nfs/dbraw/zinc/01/63/73/972016373.db2.gz ZOIAQYIDHYMFQZ-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]CC2CC2)C1 ZINC001421556476 955408079 /nfs/dbraw/zinc/40/80/79/955408079.db2.gz ZHQZKZRXSPUGJS-HIFRSBDPSA-N 2 0 281.444 1.563 10 0 CDAERP CN(C)[C@H](C(=O)N[C@H]1C[N@H+](C)CC1(C)C)c1ccccc1 ZINC001364956123 955419437 /nfs/dbraw/zinc/41/94/37/955419437.db2.gz RIKDRNQHAWALPS-GJZGRUSLSA-N 2 0 289.423 1.746 10 0 CDAERP CCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C ZINC001421634870 955443767 /nfs/dbraw/zinc/44/37/67/955443767.db2.gz MFPXBQMKUSFLDA-CABCVRRESA-N 2 0 281.444 1.804 10 0 CDAERP C[NH+]1CCC(CC(=O)N2CC[C@H](C[NH2+]CCF)C2)CC1 ZINC001491841010 955461726 /nfs/dbraw/zinc/46/17/26/955461726.db2.gz YIHASNSQHKTNAQ-CQSZACIVSA-N 2 0 285.407 1.126 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001422167124 955769932 /nfs/dbraw/zinc/76/99/32/955769932.db2.gz HLVTYNVLHZYIAK-CYBMUJFWSA-N 2 0 287.423 1.609 10 0 CDAERP CN(CC[N@H+](C)CCC(C)(C)C)C(=O)C12CC[NH+](CC1)C2 ZINC001422222320 955862268 /nfs/dbraw/zinc/86/22/68/955862268.db2.gz CUTDQZOKPQGRJB-UHFFFAOYSA-N 2 0 295.471 1.909 10 0 CDAERP CC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C)C(C)C ZINC001422665630 956240380 /nfs/dbraw/zinc/24/03/80/956240380.db2.gz YNNJCJJEMUDMTC-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCCF)C[C@H]2C1 ZINC001422886549 956427260 /nfs/dbraw/zinc/42/72/60/956427260.db2.gz YDPIEEWOTLJBIX-RBSFLKMASA-N 2 0 299.434 1.514 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCCF)C[C@@H]2C1 ZINC001422886552 956429215 /nfs/dbraw/zinc/42/92/15/956429215.db2.gz YDPIEEWOTLJBIX-SOUVJXGZSA-N 2 0 299.434 1.514 10 0 CDAERP CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ocnc1C)[NH+](C)C ZINC001423075779 956564762 /nfs/dbraw/zinc/56/47/62/956564762.db2.gz MGGZXLLXDPMMGC-DGCLKSJQSA-N 2 0 296.415 1.260 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001366110979 956573106 /nfs/dbraw/zinc/57/31/06/956573106.db2.gz PDBFTODTYKOLEE-LPWJVIDDSA-N 2 0 271.380 1.066 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001366110977 956574474 /nfs/dbraw/zinc/57/44/74/956574474.db2.gz PDBFTODTYKOLEE-CYDGBPFRSA-N 2 0 271.380 1.066 10 0 CDAERP C[C@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CCC1 ZINC001423156260 956632970 /nfs/dbraw/zinc/63/29/70/956632970.db2.gz WYIQOGMQAZYXSU-HIFRSBDPSA-N 2 0 281.444 1.565 10 0 CDAERP C[NH+](C)C1(C(=O)NCC2([NH2+]CCC3CC3)CC2)CCC1 ZINC001423232395 956679525 /nfs/dbraw/zinc/67/95/25/956679525.db2.gz WPUGSWJZXJFRAK-UHFFFAOYSA-N 2 0 279.428 1.509 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1([NH2+]CC2CC2)CC1 ZINC001423309650 956717717 /nfs/dbraw/zinc/71/77/17/956717717.db2.gz XGVHGVAUDBRUFK-BETUJISGSA-N 2 0 279.428 1.508 10 0 CDAERP CC[C@H](C)C[NH2+][C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001366301647 956721328 /nfs/dbraw/zinc/72/13/28/956721328.db2.gz MZYFTLYVCDYOET-KBPBESRZSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@H](C(=O)N[C@]12CCC[C@@H]1[N@H+](CCCF)CC2)[NH+](C)C ZINC001423351412 956736727 /nfs/dbraw/zinc/73/67/27/956736727.db2.gz LAKPXBOALUQOFQ-YCPHGPKFSA-N 2 0 299.434 1.799 10 0 CDAERP Cc1ncc(C[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C)o1 ZINC001366347900 956761219 /nfs/dbraw/zinc/76/12/19/956761219.db2.gz SGDQIKMTXVGHCN-FZMZJTMJSA-N 2 0 296.415 1.164 10 0 CDAERP C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)CCCC1CCC1 ZINC001316865961 956772530 /nfs/dbraw/zinc/77/25/30/956772530.db2.gz STHCACHJJNRILK-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001366397920 956795096 /nfs/dbraw/zinc/79/50/96/956795096.db2.gz YVJDWVQKSCTQCK-KBPBESRZSA-N 2 0 299.434 1.799 10 0 CDAERP CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001331345563 956981606 /nfs/dbraw/zinc/98/16/06/956981606.db2.gz FWTUFLFFPCWYMB-DZGCQCFKSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)CCc1ccns1 ZINC001366597055 957011849 /nfs/dbraw/zinc/01/18/49/957011849.db2.gz QZKSDJWPTZJRDD-UHFFFAOYSA-N 2 0 298.456 1.074 10 0 CDAERP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+]1CCC[C@H](C)O ZINC001366680560 957110332 /nfs/dbraw/zinc/11/03/32/957110332.db2.gz YXFOHKPFXPENNC-GJZGRUSLSA-N 2 0 299.459 1.068 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001366699847 957123245 /nfs/dbraw/zinc/12/32/45/957123245.db2.gz NXNZIKPBRAHYRI-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](CCCF)CC1 ZINC001424254416 957172203 /nfs/dbraw/zinc/17/22/03/957172203.db2.gz AXHWOWPQEBEEAI-CYBMUJFWSA-N 2 0 273.396 1.268 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CCC(C)C)C1 ZINC001424468103 957244604 /nfs/dbraw/zinc/24/46/04/957244604.db2.gz IJCZPCLBOXCLIM-CABCVRRESA-N 2 0 283.460 1.811 10 0 CDAERP Cn1cc(-c2ccc(C[NH2+]CCOCCC[NH3+])cc2)cn1 ZINC001331761460 957246712 /nfs/dbraw/zinc/24/67/12/957246712.db2.gz FPCMPLSIQKNNPE-UHFFFAOYSA-N 2 0 288.395 1.542 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC(C)([NH2+]C/C=C/Cl)CC1 ZINC001424496098 957252892 /nfs/dbraw/zinc/25/28/92/957252892.db2.gz VOHGYLVRJCJRRK-XBXARRHUSA-N 2 0 287.835 1.661 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001317081587 957255163 /nfs/dbraw/zinc/25/51/63/957255163.db2.gz DCISHQQPXHWXCG-HDJSIYSDSA-N 2 0 279.428 1.674 10 0 CDAERP CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H]1C ZINC001331944713 957353852 /nfs/dbraw/zinc/35/38/52/957353852.db2.gz TYCCCTCZNIDRBK-QWHCGFSZSA-N 2 0 255.406 1.316 10 0 CDAERP CCN(C(=O)C[NH+]1CC[C@H](C)C1)[C@H]1CC[N@@H+](C(C)C)C1 ZINC001367076178 957387960 /nfs/dbraw/zinc/38/79/60/957387960.db2.gz TZWYURFMLOQTMJ-GJZGRUSLSA-N 2 0 281.444 1.659 10 0 CDAERP CCOCCC[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001317263916 957390093 /nfs/dbraw/zinc/39/00/93/957390093.db2.gz IDWXLXOEHOTGSO-KKUMJFAQSA-N 2 0 299.459 1.238 10 0 CDAERP CC/C=C/CC[NH2+][C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001317281039 957401817 /nfs/dbraw/zinc/40/18/17/957401817.db2.gz BKDGSWNORVUZHK-XEVLESSRSA-N 2 0 281.444 1.779 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001317322755 957422893 /nfs/dbraw/zinc/42/28/93/957422893.db2.gz PWFDSYFFIBLUEF-HOCLYGCPSA-N 2 0 293.455 1.566 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)Cc1ccccn1 ZINC001425082646 957465889 /nfs/dbraw/zinc/46/58/89/957465889.db2.gz JTLXWHQKCYNWMN-AWEZNQCLSA-N 2 0 292.427 1.358 10 0 CDAERP C[N@H+](CCCCCF)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001317470686 957500572 /nfs/dbraw/zinc/50/05/72/957500572.db2.gz WFZOTNXDUVLBIS-CYBMUJFWSA-N 2 0 273.396 1.126 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H]2C[NH+](CCF)C[C@@H]2C1 ZINC001425384129 957524613 /nfs/dbraw/zinc/52/46/13/957524613.db2.gz QFTNFEJPAYNOKI-SOUVJXGZSA-N 2 0 299.434 1.514 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCF ZINC001425559605 957567988 /nfs/dbraw/zinc/56/79/88/957567988.db2.gz MWNSGQQPEUNEOV-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP CN(CC[NH2+]CCC1CCCC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001317572560 957568193 /nfs/dbraw/zinc/56/81/93/957568193.db2.gz GQJPJBZVQGUFGX-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CN(CC[NH2+]CCC1CC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001317652552 957619994 /nfs/dbraw/zinc/61/99/94/957619994.db2.gz ALNMWYLJPNTMOE-CQSZACIVSA-N 2 0 267.417 1.176 10 0 CDAERP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C(C)C)[NH+](CC)CC ZINC001494672774 972284286 /nfs/dbraw/zinc/28/42/86/972284286.db2.gz LXICDIYOQQPCMI-SOUVJXGZSA-N 2 0 281.444 1.800 10 0 CDAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cccnc1 ZINC001367138278 957698878 /nfs/dbraw/zinc/69/88/78/957698878.db2.gz HTDPCKZVTZPKQW-GJZGRUSLSA-N 2 0 290.411 1.018 10 0 CDAERP Cc1ncc(C[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+](C)C)s1 ZINC001367374997 957977423 /nfs/dbraw/zinc/97/74/23/957977423.db2.gz IRVNWVDJVGFXLW-LLVKDONJSA-N 2 0 298.456 1.340 10 0 CDAERP CC/C=C\CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001318603098 958193113 /nfs/dbraw/zinc/19/31/13/958193113.db2.gz NUKYHZGBNCJEKW-YOVCOIKASA-N 2 0 281.444 1.779 10 0 CDAERP COCCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001319104939 958379131 /nfs/dbraw/zinc/37/91/31/958379131.db2.gz WLEOJMMBDWMWIG-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001367810784 958390359 /nfs/dbraw/zinc/39/03/59/958390359.db2.gz ZDIIZHOYJDHVMN-GOEBONIOSA-N 2 0 295.471 1.811 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@@H](C)C[N@H+](C)C(C)C)[NH+]1CCCC1 ZINC001367862324 958439813 /nfs/dbraw/zinc/43/98/13/958439813.db2.gz NXVYIJSXVYXHPW-GJZGRUSLSA-N 2 0 283.460 1.952 10 0 CDAERP O=C(NCC1([NH2+]CC2CC2)CC1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001368024791 958587238 /nfs/dbraw/zinc/58/72/38/958587238.db2.gz DCJPBKYUJCDATK-HUUCEWRRSA-N 2 0 291.439 1.652 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH2+]C/C=C\Cl)CC2)C1 ZINC001368028428 958589498 /nfs/dbraw/zinc/58/94/98/958589498.db2.gz NDRRSOUTBJLGFU-DWMUBGRBSA-N 2 0 285.819 1.319 10 0 CDAERP C[C@H](C[NH2+]C/C=C/Cl)N(C)C(=O)CCC[NH+](C)C ZINC001319523776 958609838 /nfs/dbraw/zinc/60/98/38/958609838.db2.gz SIISJPNKTBPHKX-WAFBPQNNSA-N 2 0 275.824 1.517 10 0 CDAERP CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001319790342 958725996 /nfs/dbraw/zinc/72/59/96/958725996.db2.gz FKFXGXOCTFJAOG-AWEZNQCLSA-N 2 0 267.417 1.463 10 0 CDAERP CC[N@H+](C)CCC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001319886417 958765615 /nfs/dbraw/zinc/76/56/15/958765615.db2.gz UIYCPNWHAZEPQF-UHFFFAOYSA-N 2 0 269.433 1.519 10 0 CDAERP O=C(NCC1([NH2+]C/C=C\Cl)CCC1)C12CC[NH+](CC1)C2 ZINC001368486293 958896171 /nfs/dbraw/zinc/89/61/71/958896171.db2.gz KYMTVVZQBNHGCL-UQCOIBPSSA-N 2 0 297.830 1.463 10 0 CDAERP CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001368622941 959004534 /nfs/dbraw/zinc/00/45/34/959004534.db2.gz MPMKZZXYILHOIW-GOEBONIOSA-N 2 0 299.459 1.070 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[N@@H+]1CCF ZINC001368705202 959063269 /nfs/dbraw/zinc/06/32/69/959063269.db2.gz NOUMDNXKBPHQLJ-LSDHHAIUSA-N 2 0 299.434 1.801 10 0 CDAERP C[C@@H](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]C/C=C/Cl ZINC001368740830 959094217 /nfs/dbraw/zinc/09/42/17/959094217.db2.gz IMZFTZDFFRVYHX-LOKFXGJOSA-N 2 0 287.835 1.565 10 0 CDAERP C[C@@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH+](C)CCO ZINC001368964169 959334935 /nfs/dbraw/zinc/33/49/35/959334935.db2.gz UDHIALRKESMPFA-ZDUSSCGKSA-N 2 0 299.459 1.068 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[N@H+](CC2CC2)CC1(C)C)[NH+](C)C ZINC001369124020 959474257 /nfs/dbraw/zinc/47/42/57/959474257.db2.gz VWVRSSHCBPOXKB-KGLIPLIRSA-N 2 0 281.444 1.563 10 0 CDAERP CC[C@@H](C[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)OC ZINC001321067524 959573703 /nfs/dbraw/zinc/57/37/03/959573703.db2.gz WUITXPAMUDBVCX-ANIPRKEASA-N 2 0 297.443 1.014 10 0 CDAERP CCC[N@H+](C)CCN(C(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001369533911 959747641 /nfs/dbraw/zinc/74/76/41/959747641.db2.gz NLAJGGBRAHFDTC-UHFFFAOYSA-N 2 0 281.444 1.661 10 0 CDAERP C[C@@](C[NH2+]CC1CC1)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001495298178 972468330 /nfs/dbraw/zinc/46/83/30/972468330.db2.gz IFEFWNKZBUDRBG-INIZCTEOSA-N 2 0 279.428 1.367 10 0 CDAERP C[C@H](F)CC[NH2+][C@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001370214575 960023073 /nfs/dbraw/zinc/02/30/73/960023073.db2.gz LZDLRVIIUPVLOP-SWLSCSKDSA-N 2 0 299.434 1.561 10 0 CDAERP C[C@@H](O)CCC[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001414069964 960026167 /nfs/dbraw/zinc/02/61/67/960026167.db2.gz WEXGDJGKBVFJAP-OAHLLOKOSA-N 2 0 284.444 1.460 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)CCC12CC(C1)C[NH2+]2 ZINC001335789964 960026240 /nfs/dbraw/zinc/02/62/40/960026240.db2.gz YTSJBIIABNEBCM-SBEAFCBVSA-N 2 0 265.401 1.152 10 0 CDAERP C[C@@H](C[NH2+]CCCF)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001321990389 960042605 /nfs/dbraw/zinc/04/26/05/960042605.db2.gz HMVMOKAFRSRCIP-LBPRGKRZSA-N 2 0 275.412 1.418 10 0 CDAERP Cc1cc(C[NH2+][C@H](C)CNC(=O)CC[NH+](C)C)c(C)s1 ZINC001371345278 972481461 /nfs/dbraw/zinc/48/14/61/972481461.db2.gz IYPYCHBCBGMBLJ-LLVKDONJSA-N 2 0 297.468 1.911 10 0 CDAERP CCC[N@H+](C)C[C@H](C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001322280722 960165490 /nfs/dbraw/zinc/16/54/90/960165490.db2.gz JLTFISSNBOBPRD-STQMWFEESA-N 2 0 255.406 1.175 10 0 CDAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CCC[NH2+]CCCF ZINC001322843831 960339876 /nfs/dbraw/zinc/33/98/76/960339876.db2.gz KKXOLABROFFPPT-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001323095179 960445749 /nfs/dbraw/zinc/44/57/49/960445749.db2.gz WANPMJRQWPBGBL-TZMCWYRMSA-N 2 0 297.418 1.315 10 0 CDAERP CCN1CC[C@H]1C(=O)N1CC[N@H+](C)CC12CCCCC2 ZINC001433730943 960563810 /nfs/dbraw/zinc/56/38/10/960563810.db2.gz GVWSRYDAGFXRMG-AWEZNQCLSA-N 2 0 279.428 1.558 10 0 CDAERP CN(CC1([NH+](C)C)CCC1)C(=O)C1([NH+](C)C)CCCC1 ZINC001433920481 960765502 /nfs/dbraw/zinc/76/55/02/960765502.db2.gz CZRDLQSBJITWIA-UHFFFAOYSA-N 2 0 281.444 1.804 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C[NH+](C)CC2CCC2)C1 ZINC001418941632 961176106 /nfs/dbraw/zinc/17/61/06/961176106.db2.gz IEZLXPJTMHPJBS-MRXNPFEDSA-N 2 0 295.471 1.907 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001324164250 961208798 /nfs/dbraw/zinc/20/87/98/961208798.db2.gz UUIZVAFXJLVLBX-QLFBSQMISA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001419171254 961466205 /nfs/dbraw/zinc/46/62/05/961466205.db2.gz FPGOYFIBPRHUCG-QWHCGFSZSA-N 2 0 285.407 1.267 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]([NH2+]CC2CC2)C2CC2)C1 ZINC001419315594 961601149 /nfs/dbraw/zinc/60/11/49/961601149.db2.gz SLTSNXZDJPIDRH-ZFWWWQNUSA-N 2 0 279.428 1.223 10 0 CDAERP Cc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)CC[NH+](C)C)C2)c1 ZINC001419493411 961759468 /nfs/dbraw/zinc/75/94/68/961759468.db2.gz WTTHRNSCGWAKIV-IYBDPMFKSA-N 2 0 289.423 1.684 10 0 CDAERP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1ccsc1 ZINC001419845953 962157119 /nfs/dbraw/zinc/15/71/19/962157119.db2.gz WOAULLTWGWTQHQ-GFCCVEGCSA-N 2 0 295.452 1.684 10 0 CDAERP C[N@H+](CCF)C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001436852760 962459737 /nfs/dbraw/zinc/45/97/37/962459737.db2.gz QGCBJHQKTWSCIW-AWEZNQCLSA-N 2 0 285.407 1.222 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2)C1 ZINC001436977022 962538580 /nfs/dbraw/zinc/53/85/80/962538580.db2.gz QWOZCWRKIHJFMW-IYBDPMFKSA-N 2 0 289.423 1.765 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001437276640 962783814 /nfs/dbraw/zinc/78/38/14/962783814.db2.gz SCKIYJRHCYLJRF-OLZOCXBDSA-N 2 0 285.407 1.409 10 0 CDAERP C[C@H](CN(C)C/C=C\Cl)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001420567900 963070669 /nfs/dbraw/zinc/07/06/69/963070669.db2.gz KKLWJWXRGGBTDR-SEXYQANYSA-N 2 0 287.835 1.516 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001437650935 963090050 /nfs/dbraw/zinc/09/00/50/963090050.db2.gz OTSSYLGCMRIDSA-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H](C[N@H+](C)CCCO)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001420632607 963142492 /nfs/dbraw/zinc/14/24/92/963142492.db2.gz IIIJFZAFUGFEFZ-CABCVRRESA-N 2 0 299.459 1.070 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](C[NH+](C)CCF)C2)C1 ZINC001420947363 963378456 /nfs/dbraw/zinc/37/84/56/963378456.db2.gz POFCPOALUPYYFO-ZIAGYGMSSA-N 2 0 285.407 1.078 10 0 CDAERP CC(C)[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001420953286 963382145 /nfs/dbraw/zinc/38/21/45/963382145.db2.gz KSCIRKRLAOZYIN-ZIAGYGMSSA-N 2 0 279.428 1.650 10 0 CDAERP CCCC[NH+]1CC(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001421190139 963492213 /nfs/dbraw/zinc/49/22/13/963492213.db2.gz KBJQGMVOQVONHE-INIZCTEOSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CCCF ZINC001439325874 963723802 /nfs/dbraw/zinc/72/38/02/963723802.db2.gz AYCFMJHLRPOKSO-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001439898671 963890058 /nfs/dbraw/zinc/89/00/58/963890058.db2.gz HTVACASYDYYTBP-WFASDCNBSA-N 2 0 278.400 1.436 10 0 CDAERP CC(C)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001439911276 963892428 /nfs/dbraw/zinc/89/24/28/963892428.db2.gz GHFGBPQVDVPGQK-ZBFHGGJFSA-N 2 0 281.444 1.422 10 0 CDAERP C[C@H]([NH2+]C/C=C/Cl)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001440129061 963931652 /nfs/dbraw/zinc/93/16/52/963931652.db2.gz UXQIYZNLCGVHIY-HHAVJRIZSA-N 2 0 299.846 1.661 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001440313678 963981530 /nfs/dbraw/zinc/98/15/30/963981530.db2.gz ODYHFEUABZDZGW-SOUVJXGZSA-N 2 0 281.444 1.469 10 0 CDAERP CC(C)[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001441189700 964412281 /nfs/dbraw/zinc/41/22/81/964412281.db2.gz FGMHFDFFQZPWPI-LSDHHAIUSA-N 2 0 281.444 1.752 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]C/C=C/Cl)C1 ZINC001441335411 964464542 /nfs/dbraw/zinc/46/45/42/964464542.db2.gz ZGSYMFPGRGCNSQ-SZBGIYDQSA-N 2 0 299.846 1.802 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1cccnc1)[NH+](C)C ZINC001441851264 964749702 /nfs/dbraw/zinc/74/97/02/964749702.db2.gz KCMBGJYLZRSHSN-GXTWGEPZSA-N 2 0 278.400 1.016 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccc(C)cc1)[NH+](C)C ZINC001441858737 964754006 /nfs/dbraw/zinc/75/40/06/964754006.db2.gz VGOKIKTXFULQMN-GDBMZVCRSA-N 2 0 291.439 1.930 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001442181679 964899471 /nfs/dbraw/zinc/89/94/71/964899471.db2.gz SLPVMZPUZYXPPK-KGLIPLIRSA-N 2 0 285.407 1.268 10 0 CDAERP CC(C)CCC[N@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001442574288 965121768 /nfs/dbraw/zinc/12/17/68/965121768.db2.gz MHVDPYTXCIGSPQ-HNNXBMFYSA-N 2 0 283.460 1.812 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)CCc1ccccc1 ZINC001442623756 965144512 /nfs/dbraw/zinc/14/45/12/965144512.db2.gz YSYFDRYGEOIXEA-UHFFFAOYSA-N 2 0 291.439 1.617 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)Nc2ccc3c[nH+]cn3c2)C1 ZINC001558590159 965327001 /nfs/dbraw/zinc/32/70/01/965327001.db2.gz ANQHLUMSOBUHPL-LLVKDONJSA-N 2 0 258.325 1.615 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001444247957 965769534 /nfs/dbraw/zinc/76/95/34/965769534.db2.gz UWFRQMSAFQJOKQ-HOTGVXAUSA-N 2 0 295.471 1.909 10 0 CDAERP C[C@@H](C[NH2+]CC1CCC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001444627209 965907248 /nfs/dbraw/zinc/90/72/48/965907248.db2.gz ZQBOWNIKVZESHL-DZGCQCFKSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001444626862 965907611 /nfs/dbraw/zinc/90/76/11/965907611.db2.gz KFPXVAJMDMFXBQ-KGLIPLIRSA-N 2 0 283.460 1.953 10 0 CDAERP CCC[NH+]1CCC(C)(CNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001446672132 966612917 /nfs/dbraw/zinc/61/29/17/966612917.db2.gz PJIPOHYYBMGBJM-UHFFFAOYSA-N 2 0 283.460 1.955 10 0 CDAERP [NH3+]CC1CCC([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC001350959311 966813196 /nfs/dbraw/zinc/81/31/96/966813196.db2.gz XSGIKABQWDYZGZ-NEXFUWMNSA-N 3 0 251.418 1.626 10 0 CDAERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]CCC(F)(F)F ZINC001447944980 966934730 /nfs/dbraw/zinc/93/47/30/966934730.db2.gz YNAVSTQYXHQRFC-WDEREUQCSA-N 2 0 295.349 1.517 10 0 CDAERP C[NH+](C)CCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001538774889 967071083 /nfs/dbraw/zinc/07/10/83/967071083.db2.gz GBGKSARPNDIFPF-STQMWFEESA-N 2 0 255.406 1.175 10 0 CDAERP CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001448601638 967166927 /nfs/dbraw/zinc/16/69/27/967166927.db2.gz IHVZNWWFXBMEKU-GJZGRUSLSA-N 2 0 281.444 1.707 10 0 CDAERP Cc1ncoc1C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001448655856 967195120 /nfs/dbraw/zinc/19/51/20/967195120.db2.gz HOKVSRUHPHVKII-YPMHNXCESA-N 2 0 294.399 1.014 10 0 CDAERP CC[N@@H+]1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)[C@H](C)C1 ZINC001449330088 967433455 /nfs/dbraw/zinc/43/34/55/967433455.db2.gz FCJNCZIZXQHWJL-KFWWJZLASA-N 2 0 281.444 1.659 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]([NH+](C)C)C1(C)C ZINC001452133300 968070236 /nfs/dbraw/zinc/07/02/36/968070236.db2.gz KCPDZPIQBPNMJI-MCIONIFRSA-N 2 0 281.444 1.704 10 0 CDAERP COC(=O)[C@H]1[C@@H](C[NH2+]CCC[NH+]2CCCC2)C1(F)F ZINC001353585226 968083202 /nfs/dbraw/zinc/08/32/02/968083202.db2.gz SYMYOPVMVLVLBG-GHMZBOCLSA-N 2 0 276.327 1.116 10 0 CDAERP C[C@@H](C(=O)N[C@@H]1C[NH+](C)CC1(C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001456161301 968877950 /nfs/dbraw/zinc/87/79/50/968877950.db2.gz XFDXALLPEGWFCU-RFQIPJPRSA-N 2 0 281.444 1.704 10 0 CDAERP CC[NH+](CC)[C@H](CNC(=[NH2+])N1CCO[C@H](C)C1)CC(C)C ZINC000848984102 969380915 /nfs/dbraw/zinc/38/09/15/969380915.db2.gz OLRQTLCOZSFWSB-CABCVRRESA-N 2 0 298.475 1.988 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)CC(F)F ZINC000849045905 969429539 /nfs/dbraw/zinc/42/95/39/969429539.db2.gz RLHUMMXBIHRIGD-MNOVXSKESA-N 2 0 276.375 1.876 10 0 CDAERP CC[N@H+](C)[C@H]1CCN(C(=O)N[C@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC001413895635 969672018 /nfs/dbraw/zinc/67/20/18/969672018.db2.gz RKCYRTZXEXNKQF-KBPBESRZSA-N 2 0 296.459 1.595 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)NCC[NH+](C)C2CC2)C1 ZINC001464502579 969791568 /nfs/dbraw/zinc/79/15/68/969791568.db2.gz BXPAEJXNQOXJTQ-ZDUSSCGKSA-N 2 0 267.417 1.317 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001464801476 969818422 /nfs/dbraw/zinc/81/84/22/969818422.db2.gz CGGSAZHROGYCFW-ZNMIVQPWSA-N 2 0 281.444 1.659 10 0 CDAERP Cc1ncc(C[NH2+][C@H](C)CNC(=O)C[NH+]2CCCC2)s1 ZINC001480591739 970072607 /nfs/dbraw/zinc/07/26/07/970072607.db2.gz NSQYOMDMPSZFLI-LLVKDONJSA-N 2 0 296.440 1.142 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC001469334536 970242092 /nfs/dbraw/zinc/24/20/92/970242092.db2.gz VCKBMQVUIYDOHD-QLFBSQMISA-N 2 0 295.471 1.952 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)NC[C@H](C2CC2)[NH+](C)C)CC1 ZINC001361825339 970572568 /nfs/dbraw/zinc/57/25/68/970572568.db2.gz JUEJTKJJACGCQR-MRXNPFEDSA-N 2 0 295.471 1.811 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)N2CC[NH+](C(C)C)CC2)CC1 ZINC001361897034 970652973 /nfs/dbraw/zinc/65/29/73/970652973.db2.gz HMUKRSLBQGZNBC-UHFFFAOYSA-N 2 0 295.471 1.907 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)[NH+]1CCCC1 ZINC001472488772 970654447 /nfs/dbraw/zinc/65/44/47/970654447.db2.gz BNPDPIFUKOBIMJ-QLFBSQMISA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]C[C@@H](C)CC)[NH+](C)C ZINC001495567670 972540093 /nfs/dbraw/zinc/54/00/93/972540093.db2.gz VJYMEOBBIQWVKW-RRFJBIMHSA-N 2 0 283.460 1.953 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@@H]([NH2+]CCC2CC2)C1 ZINC001371628032 972569352 /nfs/dbraw/zinc/56/93/52/972569352.db2.gz DJIBUWYPEVPCSP-CABCVRRESA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]C/C=C\Cl ZINC001496641423 973007827 /nfs/dbraw/zinc/00/78/27/973007827.db2.gz FXXJNDYIRDLXOQ-CFHLNLSMSA-N 2 0 287.835 1.565 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+](CC3CCC3)C2)C1 ZINC001372658643 973069762 /nfs/dbraw/zinc/06/97/62/973069762.db2.gz HJDAZGJKUCSQMN-GDBMZVCRSA-N 2 0 293.455 1.566 10 0 CDAERP CC(C)C[NH2+]CC[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001497205759 973243270 /nfs/dbraw/zinc/24/32/70/973243270.db2.gz MBRJADMJLMTYKX-KBPBESRZSA-N 2 0 271.449 1.713 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)CC[NH+]2CC[C@@H](F)C2)C1 ZINC001417676158 973273814 /nfs/dbraw/zinc/27/38/14/973273814.db2.gz HGVOEVRHYQWNCB-LSDHHAIUSA-N 2 0 299.434 1.514 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CC[NH2+]Cc1cscn1 ZINC001497331244 973289925 /nfs/dbraw/zinc/28/99/25/973289925.db2.gz KQRBMWBMARSZRX-GFCCVEGCSA-N 2 0 298.456 1.468 10 0 CDAERP CCN(CC[NH2+]CCF)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001497414569 973338918 /nfs/dbraw/zinc/33/89/18/973338918.db2.gz OFMPHIXGGVFTNM-CQSZACIVSA-N 2 0 287.423 1.514 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)CC[N@@H+]1C[C@@H](C)OC ZINC001417826985 973403973 /nfs/dbraw/zinc/40/39/73/973403973.db2.gz RQJQMZYNVGZYNV-QLFBSQMISA-N 2 0 299.459 1.331 10 0 CDAERP C[NH+](C)CC1(C(=O)NC/C=C\C[NH2+]CCF)CCCCC1 ZINC001497642668 973445595 /nfs/dbraw/zinc/44/55/95/973445595.db2.gz WBONYMNUDQFCOP-SREVYHEPSA-N 2 0 299.434 1.730 10 0 CDAERP C[C@@H]1C[C@H](C[NH2+]C/C=C\CNC(=O)CC[NH+](C)C)CCO1 ZINC001497673136 973459113 /nfs/dbraw/zinc/45/91/13/973459113.db2.gz FATOBLXDOFLGMV-ZYDHHDLOSA-N 2 0 297.443 1.015 10 0 CDAERP C[N@H+](CC(=O)NCC1C[NH+](CC2CCCC2)C1)C1CCC1 ZINC001373510862 973473541 /nfs/dbraw/zinc/47/35/41/973473541.db2.gz BPNWLAHOSQLFSA-UHFFFAOYSA-N 2 0 293.455 1.709 10 0 CDAERP CC[C@H](C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1)OC ZINC001418107639 973588298 /nfs/dbraw/zinc/58/82/98/973588298.db2.gz BYFMLRFAZHJYGU-BARDWOONSA-N 2 0 299.459 1.234 10 0 CDAERP C[C@H](C[NH2+]CC1=CCCCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001497963355 973591031 /nfs/dbraw/zinc/59/10/31/973591031.db2.gz URGAZHVVIYAXHQ-CQSZACIVSA-N 2 0 291.439 1.677 10 0 CDAERP C[C@H](NC(=O)C[NH+]1CCCC1)[C@H]1CCC[N@H+](CCF)C1 ZINC001418175982 973623399 /nfs/dbraw/zinc/62/33/99/973623399.db2.gz QHULOPVEWGGKGH-KBPBESRZSA-N 2 0 285.407 1.268 10 0 CDAERP CC(C)COCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001498060398 973654098 /nfs/dbraw/zinc/65/40/98/973654098.db2.gz QTAMHJYFPRPTRP-GJZGRUSLSA-N 2 0 299.459 1.238 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001498066111 973656223 /nfs/dbraw/zinc/65/62/23/973656223.db2.gz FNMMLTPNIHVKKO-OLZOCXBDSA-N 2 0 285.407 1.457 10 0 CDAERP CC[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001418262499 973705257 /nfs/dbraw/zinc/70/52/57/973705257.db2.gz AJSPPJYDTIXEOH-UKRRQHHQSA-N 2 0 281.444 1.898 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccsc1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001374329192 973892702 /nfs/dbraw/zinc/89/27/02/973892702.db2.gz XKBMFZRBPGJMQW-JSGCOSHPSA-N 2 0 295.452 1.636 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001499049573 974171268 /nfs/dbraw/zinc/17/12/68/974171268.db2.gz IXNFVTFJSMUXIE-OAHLLOKOSA-N 2 0 293.455 1.709 10 0 CDAERP CC1CC(C[NH2+]C2(CNC(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001499420201 974251306 /nfs/dbraw/zinc/25/13/06/974251306.db2.gz CSHLPLLTTWWETC-UHFFFAOYSA-N 2 0 291.439 1.367 10 0 CDAERP C[C@H](C[N@H+](C)CCCF)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001375091788 974257710 /nfs/dbraw/zinc/25/77/10/974257710.db2.gz CVEPDVSZUCWKKI-RDBSUJKOSA-N 2 0 287.423 1.513 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@]2(CC[NH+](C(C)C)C2)C1 ZINC001499618501 974275425 /nfs/dbraw/zinc/27/54/25/974275425.db2.gz CUHFVUPCPRZSOQ-MRXNPFEDSA-N 2 0 281.444 1.659 10 0 CDAERP CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001500358695 974427675 /nfs/dbraw/zinc/42/76/75/974427675.db2.gz WPSFFYJUVHZLQZ-UKRRQHHQSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@@H]([NH2+]CCCF)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001501066762 974526146 /nfs/dbraw/zinc/52/61/46/974526146.db2.gz JLQWVQKAHUIXLK-UKRRQHHQSA-N 2 0 299.434 1.514 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]C/C=C\Cl)C1)[NH+](C)C ZINC001376493159 974674842 /nfs/dbraw/zinc/67/48/42/974674842.db2.gz WEOYEURUQBNRIO-BDTQGIJQSA-N 2 0 287.835 1.562 10 0 CDAERP CCCC[NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001502738558 974772869 /nfs/dbraw/zinc/77/28/69/974772869.db2.gz QIUURCXKVGFHEL-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP Cc1ccc(F)c(C[NH2+][C@H](C)CNC(=O)CC[NH+](C)C)c1 ZINC001376812227 974779964 /nfs/dbraw/zinc/77/99/64/974779964.db2.gz PIGVSTHNASCOLW-CYBMUJFWSA-N 2 0 295.402 1.680 10 0 CDAERP CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]CCF)[NH+]1CCCCC1 ZINC001376883673 974803325 /nfs/dbraw/zinc/80/33/25/974803325.db2.gz RWXTZFDUZZIRTH-UONOGXRCSA-N 2 0 287.423 1.561 10 0 CDAERP CCOCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001503015457 974809999 /nfs/dbraw/zinc/80/99/99/974809999.db2.gz UDONMDMQGGVXME-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@@H](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]C/C=C/Cl ZINC001503200497 974816205 /nfs/dbraw/zinc/81/62/05/974816205.db2.gz YTHPRNWYFZSYEZ-XQCJCXCWSA-N 2 0 299.846 1.565 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001376940779 974825195 /nfs/dbraw/zinc/82/51/95/974825195.db2.gz LRJPETHOPFXTPR-UKRRQHHQSA-N 2 0 299.434 1.514 10 0 CDAERP C[NH+](C)C1(C(=O)NC2CC(C[NH2+]CCCF)C2)CCC1 ZINC001505501747 974895530 /nfs/dbraw/zinc/89/55/30/974895530.db2.gz HWHWQKCDSCITGO-UHFFFAOYSA-N 2 0 285.407 1.315 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001377198390 974920998 /nfs/dbraw/zinc/92/09/98/974920998.db2.gz RAEKGCMRFCZQQK-UHFFFAOYSA-N 2 0 287.367 1.337 10 0 CDAERP C[N@H+](CCCF)CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001377231237 974937203 /nfs/dbraw/zinc/93/72/03/974937203.db2.gz WARQIAJQSKJTAK-KBPBESRZSA-N 2 0 285.407 1.411 10 0 CDAERP C[C@H](NC(=O)C1([NH+](C)C)CCC1)[C@H](C)[NH2+]C/C=C\Cl ZINC001505621277 974940247 /nfs/dbraw/zinc/94/02/47/974940247.db2.gz FOWFGQJTNQLUFZ-JEXRQVMISA-N 2 0 287.835 1.706 10 0 CDAERP CCC[N@H+](C)CC(=O)NCC[NH+](C)CCC(C)(C)C ZINC001377256803 974946547 /nfs/dbraw/zinc/94/65/47/974946547.db2.gz VAOPLCNDJLCQRY-UHFFFAOYSA-N 2 0 271.449 1.812 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)CC[C@@H](C)F ZINC001377279595 974955108 /nfs/dbraw/zinc/95/51/08/974955108.db2.gz ZAISQEPHWFRLHU-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP CCC[N@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001377525905 975063976 /nfs/dbraw/zinc/06/39/76/975063976.db2.gz UAYQQVFAKAIQKR-HNNXBMFYSA-N 2 0 279.428 1.319 10 0 CDAERP CC[C@H](C)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001377833223 975151302 /nfs/dbraw/zinc/15/13/02/975151302.db2.gz MRHCPKXZVUGWRH-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001506807261 975225545 /nfs/dbraw/zinc/22/55/45/975225545.db2.gz AIIMPYYEXMQWMC-FPCVCCKLSA-N 2 0 293.455 1.278 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001378080177 975232306 /nfs/dbraw/zinc/23/23/06/975232306.db2.gz WGQSBWPLEVSHSK-LSDHHAIUSA-N 2 0 283.460 1.809 10 0 CDAERP C[C@H](CCC[NH2+]CC1CC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001506952200 975272234 /nfs/dbraw/zinc/27/22/34/975272234.db2.gz UPQFMALXSDQLLF-TZMCWYRMSA-N 2 0 267.417 1.223 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC1CCC1 ZINC001378294376 975316932 /nfs/dbraw/zinc/31/69/32/975316932.db2.gz FESYXYNJWMUBON-CABCVRRESA-N 2 0 281.444 1.755 10 0 CDAERP CCOCC[NH2+][C@H](C)CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001507133965 975349707 /nfs/dbraw/zinc/34/97/07/975349707.db2.gz DDFKQGOLVIQIER-OAHLLOKOSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]CCC1CC1 ZINC001507155386 975355787 /nfs/dbraw/zinc/35/57/87/975355787.db2.gz RWEHDXISRGBTQZ-ZDUSSCGKSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)C1C[NH+](CC2CCCCC2)C1 ZINC001378551603 975390685 /nfs/dbraw/zinc/39/06/85/975390685.db2.gz GFQOQAZFEZQRCZ-CQSZACIVSA-N 2 0 295.471 1.955 10 0 CDAERP Cc1cnc([C@H](C)[NH2+]C[C@@H](C)CNC(=O)CC[NH+](C)C)o1 ZINC001378602454 975412721 /nfs/dbraw/zinc/41/27/21/975412721.db2.gz PJTOIBIPARDNQT-YPMHNXCESA-N 2 0 296.415 1.338 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CCC(C)(C)C)CN1C(=O)CC[NH+](C)C ZINC001507318789 975413790 /nfs/dbraw/zinc/41/37/90/975413790.db2.gz JMMXBZSCCZJQGQ-ZIAGYGMSSA-N 2 0 283.460 1.953 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](CCCF)CC2(C)C)CCC1 ZINC001378633127 975421721 /nfs/dbraw/zinc/42/17/21/975421721.db2.gz HZCVXDUTZUCXAG-CYBMUJFWSA-N 2 0 299.434 1.657 10 0 CDAERP CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001507341363 975424719 /nfs/dbraw/zinc/42/47/19/975424719.db2.gz SNZLGWZVJMESBF-QWHCGFSZSA-N 2 0 255.406 1.316 10 0 CDAERP C[NH+](C)CCCC(=O)N1C[C@H]([NH2+]CCCF)C(C)(C)C1 ZINC001507442462 975473022 /nfs/dbraw/zinc/47/30/22/975473022.db2.gz HOZHXXZVXDHJBO-ZDUSSCGKSA-N 2 0 287.423 1.514 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+][C@H](C)COC)C(C)(C)C1 ZINC001507451286 975474498 /nfs/dbraw/zinc/47/44/98/975474498.db2.gz ONHZYUWSRWVVHZ-ZIAGYGMSSA-N 2 0 299.459 1.190 10 0 CDAERP CO[C@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001378850756 975517026 /nfs/dbraw/zinc/51/70/26/975517026.db2.gz FAYJBDRUKRBSNB-KBUPBQIOSA-N 2 0 299.459 1.092 10 0 CDAERP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1[NH2+]C/C=C/Cl ZINC001378893399 975535194 /nfs/dbraw/zinc/53/51/94/975535194.db2.gz BEQTWZICGRFKBP-HXINVUTJSA-N 2 0 299.846 1.661 10 0 CDAERP COC[C@H](C)[NH2+]CC[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001378922672 975542184 /nfs/dbraw/zinc/54/21/84/975542184.db2.gz VIXOSFODBQVIIQ-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)N(CC[N@H+](C)CC1CC1)C(=O)C12CC[NH+](CC1)C2 ZINC001507855839 975550465 /nfs/dbraw/zinc/55/04/65/975550465.db2.gz UHGJMUBJOVDPIZ-UHFFFAOYSA-N 2 0 293.455 1.661 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001397631968 975664483 /nfs/dbraw/zinc/66/44/83/975664483.db2.gz USDVRWFMPYXFQS-KFWWJZLASA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@H](F)C[NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCCC1 ZINC001405401269 975734192 /nfs/dbraw/zinc/73/41/92/975734192.db2.gz BBGNUSBMRDUSAB-AWEZNQCLSA-N 2 0 299.434 1.849 10 0 CDAERP CC[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001379551136 975919657 /nfs/dbraw/zinc/91/96/57/975919657.db2.gz DVGMIRDRHMDBJG-IMJJTQAJSA-N 2 0 289.423 1.446 10 0 CDAERP C[C@@H]1[C@H](C(=O)NC[C@@H]([NH2+]CCC2CC2)C2CC2)CC[N@@H+]1C ZINC001389614078 975932029 /nfs/dbraw/zinc/93/20/29/975932029.db2.gz QXJWCRKNPHGWHD-DAXOMENPSA-N 2 0 293.455 1.611 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CCN(Cc2ccccn2)C1)[NH+](C)C ZINC001398339767 975950023 /nfs/dbraw/zinc/95/00/23/975950023.db2.gz NFRLECZATBPXMH-LSDHHAIUSA-N 2 0 290.411 1.112 10 0 CDAERP CC(C)[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001379623264 975963050 /nfs/dbraw/zinc/96/30/50/975963050.db2.gz NGMWMKKUWDZPFV-SOUVJXGZSA-N 2 0 281.444 1.563 10 0 CDAERP CCC[N@@H+]1CC[C@@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@H]12 ZINC001379631984 975970243 /nfs/dbraw/zinc/97/02/43/975970243.db2.gz PUMATVNOXVIWNQ-YOEHRIQHSA-N 2 0 293.455 1.851 10 0 CDAERP Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)CC[NH+](C)C)c1 ZINC001401907575 975992978 /nfs/dbraw/zinc/99/29/78/975992978.db2.gz UCBBRQOUOOLWPA-MRXNPFEDSA-N 2 0 289.423 1.637 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001389799175 975995109 /nfs/dbraw/zinc/99/51/09/975995109.db2.gz QHQYIZYZGCAVLT-STQMWFEESA-N 2 0 273.396 1.267 10 0 CDAERP C[C@H](C[N@H+](C)CC1CCC1)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001379667723 975996923 /nfs/dbraw/zinc/99/69/23/975996923.db2.gz JJFNPPYVNOQHCT-UMVBOHGHSA-N 2 0 281.444 1.563 10 0 CDAERP CO[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001398600511 976065657 /nfs/dbraw/zinc/06/56/57/976065657.db2.gz BAAUHEHRQWQOBN-APIJFGDWSA-N 2 0 297.443 1.131 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001398620436 976078273 /nfs/dbraw/zinc/07/82/73/976078273.db2.gz MQAZAFNJTXPIMK-MCIONIFRSA-N 2 0 281.444 1.754 10 0 CDAERP CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001398665447 976097851 /nfs/dbraw/zinc/09/78/51/976097851.db2.gz LVEBLJVJNLOLCN-QLFBSQMISA-N 2 0 281.444 1.754 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]C[C@@H](C)CC ZINC001402080105 976112435 /nfs/dbraw/zinc/11/24/35/976112435.db2.gz SKPBJUBPCCHGRG-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC1CC(C)(C)C1 ZINC001390481510 976322023 /nfs/dbraw/zinc/32/20/23/976322023.db2.gz LYQDVOBKYVGDBV-KGLIPLIRSA-N 2 0 295.471 1.859 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001402568010 976367941 /nfs/dbraw/zinc/36/79/41/976367941.db2.gz ARTGCNLMGLELLO-KBXIAJHMSA-N 2 0 299.434 1.844 10 0 CDAERP CC[NH2+]C[C@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001390584329 976378386 /nfs/dbraw/zinc/37/83/86/976378386.db2.gz DKJVGKYPTAEFSR-CHWSQXEVSA-N 2 0 273.396 1.124 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H]2C[N@H+](CCF)CC[C@@H]21 ZINC001402597975 976386209 /nfs/dbraw/zinc/38/62/09/976386209.db2.gz ZKIOGABKUHACCU-KBPBESRZSA-N 2 0 285.407 1.221 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CC(C)C)C1 ZINC001390606547 976387288 /nfs/dbraw/zinc/38/72/88/976387288.db2.gz RJFBEMRPJSKTBS-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[C@H]([NH2+]CC2CC2)C1 ZINC001399267860 976403266 /nfs/dbraw/zinc/40/32/66/976403266.db2.gz ATOOICSETJSFHE-GJZGRUSLSA-N 2 0 281.444 1.754 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CC[NH+]1CCC1CC1 ZINC001406855941 976443188 /nfs/dbraw/zinc/44/31/88/976443188.db2.gz SMEWEGOAORMUGP-HZPDHXFCSA-N 2 0 293.455 1.851 10 0 CDAERP CC(C)C[NH2+]C1(C)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001402781856 976480070 /nfs/dbraw/zinc/48/00/70/976480070.db2.gz CXPYFTXFZXUBGZ-UHFFFAOYSA-N 2 0 283.460 1.955 10 0 CDAERP Cc1cc(C[NH2+]C2(CNC(=O)CC[NH+](C)C)CC2)cs1 ZINC001406956817 976491837 /nfs/dbraw/zinc/49/18/37/976491837.db2.gz OXDMYRYEIJDADC-UHFFFAOYSA-N 2 0 295.452 1.747 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001407038011 976523499 /nfs/dbraw/zinc/52/34/99/976523499.db2.gz KFORYAMBVXUIQO-QGZVFWFLSA-N 2 0 295.471 1.907 10 0 CDAERP CC(C)CC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001407095914 976552317 /nfs/dbraw/zinc/55/23/17/976552317.db2.gz RSSNQMPJOPUKQR-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H]1CC[C@@H](C[N@H+](C)CCCN(C)C(=O)CC[NH+](C)C)O1 ZINC001380968882 976634042 /nfs/dbraw/zinc/63/40/42/976634042.db2.gz GKNJNMUUGUSMCC-CABCVRRESA-N 2 0 299.459 1.286 10 0 CDAERP CC[NH2+]C1(C)CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001381130528 976674411 /nfs/dbraw/zinc/67/44/11/976674411.db2.gz SMLVWCFGVQUPMX-UHFFFAOYSA-N 2 0 281.444 1.853 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+]CCC(C)(C)C ZINC001403072471 976693228 /nfs/dbraw/zinc/69/32/28/976693228.db2.gz DRFOUKXFYXGMJH-CYBMUJFWSA-N 2 0 271.449 1.859 10 0 CDAERP CC[C@H](C)C[NH2+][C@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001403076444 976695677 /nfs/dbraw/zinc/69/56/77/976695677.db2.gz VROKAOLTDBSWKR-UONOGXRCSA-N 2 0 299.459 1.238 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001399854828 976703513 /nfs/dbraw/zinc/70/35/13/976703513.db2.gz QQZSIAQKTUFSHG-UKRRQHHQSA-N 2 0 299.434 1.799 10 0 CDAERP CCN1CCO[C@H](C(=O)NCC[C@H](C)[NH2+]CCC(C)C)C1 ZINC001381234553 976726246 /nfs/dbraw/zinc/72/62/46/976726246.db2.gz VHHBBOJLSUSQOB-GJZGRUSLSA-N 2 0 299.459 1.238 10 0 CDAERP CCC(CC)C[N@@H+]1CCOC[C@H]1CNC(=O)CC[NH+](C)C ZINC001407767408 976763379 /nfs/dbraw/zinc/76/33/79/976763379.db2.gz ZNECJRVQBRSDJR-OAHLLOKOSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)Cc1ccsc1 ZINC001403206535 976815853 /nfs/dbraw/zinc/81/58/53/976815853.db2.gz SUUGIJGAZARDBX-JSGCOSHPSA-N 2 0 295.452 1.636 10 0 CDAERP CCC[N@H+](CCNC(=O)[C@@]12CC[NH+](C1)CCC2)C1CC1 ZINC001400052438 976828289 /nfs/dbraw/zinc/82/82/89/976828289.db2.gz SIIXJURGVHDWPS-INIZCTEOSA-N 2 0 279.428 1.463 10 0 CDAERP CC(C)C[NH+]1CC(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001391489007 976914585 /nfs/dbraw/zinc/91/45/85/976914585.db2.gz SWQHDBHKEVKLSA-OAHLLOKOSA-N 2 0 281.444 1.565 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@@H](C[N@H+](C)CCCF)C1 ZINC001400223441 976939893 /nfs/dbraw/zinc/93/98/93/976939893.db2.gz AAKLMTYOSRYNSL-ZDUSSCGKSA-N 2 0 273.396 1.078 10 0 CDAERP C[C@H](CNC(=O)Cc1cncn1C)[N@H+](C)CC1CCCC1 ZINC001381610837 976945540 /nfs/dbraw/zinc/94/55/40/976945540.db2.gz OKXULDXFHSUMBS-CYBMUJFWSA-N 2 0 292.427 1.589 10 0 CDAERP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)CC[NH+](C)C)C2)cc1 ZINC001391585090 976975048 /nfs/dbraw/zinc/97/50/48/976975048.db2.gz ZFURONHEUDPFLX-MRXNPFEDSA-N 2 0 289.423 1.637 10 0 CDAERP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC[C@@H](C)F ZINC001391747866 977081373 /nfs/dbraw/zinc/08/13/73/977081373.db2.gz HVUIKKOODNLQLW-OLZOCXBDSA-N 2 0 273.396 1.315 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)CC[C@@H](C)F ZINC001403851621 977230998 /nfs/dbraw/zinc/23/09/98/977230998.db2.gz MXQLUDGDGQQUMK-HIFRSBDPSA-N 2 0 299.434 1.514 10 0 CDAERP CC[NH2+]CC1(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CCCC1 ZINC001400972734 977258001 /nfs/dbraw/zinc/25/80/01/977258001.db2.gz PENCRBPOMWABFB-KBPBESRZSA-N 2 0 281.444 1.898 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@H](C[NH2+]CC2CC2)C(C)(C)C)C1 ZINC001382532955 977302632 /nfs/dbraw/zinc/30/26/32/977302632.db2.gz LTIPIXOJKNBXGV-UKRRQHHQSA-N 2 0 295.471 1.859 10 0 CDAERP CC[C@@H](F)C[N@H+](C)C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001392686831 977549246 /nfs/dbraw/zinc/54/92/46/977549246.db2.gz GZVXSSXQHOUNFN-UONOGXRCSA-N 2 0 299.434 1.799 10 0 CDAERP CC(C)C[N@H+](C)C[C@@H](C)NC(=O)C[C@@H](C)n1ccnc1 ZINC001392700170 977557248 /nfs/dbraw/zinc/55/72/48/977557248.db2.gz GVHCTHNYIQVNIK-ZIAGYGMSSA-N 2 0 280.416 1.927 10 0 CDAERP CC(C)C[N@H+](C)CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001492816192 977645922 /nfs/dbraw/zinc/64/59/22/977645922.db2.gz CEBXKCZACIGTJJ-CABCVRRESA-N 2 0 283.460 1.811 10 0 CDAERP CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001393646149 977884042 /nfs/dbraw/zinc/88/40/42/977884042.db2.gz VNNOYHUZIWDVOV-HUUCEWRRSA-N 2 0 283.460 1.907 10 0 CDAERP CC[C@H](C)C[NH2+]CC1CC(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001393905591 977954409 /nfs/dbraw/zinc/95/44/09/977954409.db2.gz DXWDAOVCBFFADK-NFOMZHRRSA-N 2 0 283.460 1.857 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[N@H+](C)CC1CC1 ZINC001394069257 978047478 /nfs/dbraw/zinc/04/74/78/978047478.db2.gz OJHKWUPZHIURLN-IUODEOHRSA-N 2 0 279.428 1.175 10 0 CDAERP C[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1C[NH+](CC2CC2)C1 ZINC001394253120 978117680 /nfs/dbraw/zinc/11/76/80/978117680.db2.gz TZTGFSKSTAUNCO-QWHCGFSZSA-N 2 0 279.428 1.175 10 0 CDAERP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]CCC(C)(C)C ZINC001394561307 978205023 /nfs/dbraw/zinc/20/50/23/978205023.db2.gz VRSAINCITYHWLP-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP CC[N@@H+]1CC[C@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001394691328 978231248 /nfs/dbraw/zinc/23/12/48/978231248.db2.gz MPTJYXVQLHLDKO-CZUORRHYSA-N 2 0 279.428 1.461 10 0 CDAERP CC(C)[C@H](C(=O)NC1CC(C[NH2+]CCC2CC2)C1)[NH+](C)C ZINC001674599413 1173967538 /nfs/dbraw/zinc/96/75/38/1173967538.db2.gz HIVHCFSMIFGLFN-UYSNPLJNSA-N 2 0 295.471 1.857 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001675786698 1174149202 /nfs/dbraw/zinc/14/92/02/1174149202.db2.gz WRERWTRVSDTADM-JHJVBQTASA-N 2 0 273.396 1.171 10 0 CDAERP CC(C)[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001675920828 1174165004 /nfs/dbraw/zinc/16/50/04/1174165004.db2.gz SCCJYHHTOVYWEV-UONOGXRCSA-N 2 0 269.433 1.754 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCCF)[C@H]1C ZINC001676686983 1174255518 /nfs/dbraw/zinc/25/55/18/1174255518.db2.gz VPZHMOTZBRTPBN-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP CC(C)CC[NH2+]CC1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001570581397 1170195058 /nfs/dbraw/zinc/19/50/58/1170195058.db2.gz SOZSTUGIFGAYKH-UHFFFAOYSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001571094597 1170333981 /nfs/dbraw/zinc/33/39/81/1170333981.db2.gz DJGZNLSVEFHYQW-KKUMJFAQSA-N 2 0 279.428 1.531 10 0 CDAERP COC(=O)c1ccc(CN2C[C@@H](C[NH3+])C[C@H]2C)nc1 ZINC000216147190 342533753 /nfs/dbraw/zinc/53/37/53/342533753.db2.gz QQVOROQJQRHKSW-GHMZBOCLSA-N 2 0 263.341 1.037 10 0 CDAERP CC(C)(C)n1cc(C[NH2+]CCC2(C[NH3+])CC2)cn1 ZINC000650712718 398155590 /nfs/dbraw/zinc/15/55/90/398155590.db2.gz RDBZTIPJYNUIAO-UHFFFAOYSA-N 2 0 250.390 1.857 10 0 CDAERP COc1cc(C[NH2+]CCC2(C[NH3+])CC2)cc(OC)c1O ZINC000650713842 398156356 /nfs/dbraw/zinc/15/63/56/398156356.db2.gz FNKRAFRUGBTKTK-UHFFFAOYSA-N 2 0 280.368 1.628 10 0 CDAERP COc1cccc(C[C@@H](C)[NH2+]CCC2(C[NH3+])CC2)n1 ZINC000650714116 398156466 /nfs/dbraw/zinc/15/64/66/398156466.db2.gz SABIUUZZCHDWTC-GFCCVEGCSA-N 2 0 263.385 1.740 10 0 CDAERP CC1CC[NH+](CC(=O)N2CCC[C@@H]2C[NH+](C)C)CC1 ZINC000354549666 365543949 /nfs/dbraw/zinc/54/39/49/365543949.db2.gz WRQJWCYNQWPIMS-CQSZACIVSA-N 2 0 267.417 1.271 10 0 CDAERP COCCN(C)C[C@H](O)C[N@@H+]1C[C@H](C)CC[C@H]1C ZINC000310857672 342139435 /nfs/dbraw/zinc/13/94/35/342139435.db2.gz JYEDKOMDVCGQAR-MCIONIFRSA-N 2 0 258.406 1.046 10 0 CDAERP CCO[C@H](C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1)C1CC1 ZINC000625446819 342167192 /nfs/dbraw/zinc/16/71/92/342167192.db2.gz UCJVEKUBSCMXEK-HUUCEWRRSA-N 2 0 252.402 1.829 10 0 CDAERP COC(=O)COc1ccc(C[NH2+]CCC2(C[NH3+])CC2)cc1 ZINC000593315620 342787925 /nfs/dbraw/zinc/78/79/25/342787925.db2.gz JGRLMKIHVHIWFT-UHFFFAOYSA-N 2 0 292.379 1.457 10 0 CDAERP CCOC(=O)c1ccc(C[NH2+]CCC2(C[NH3+])CC2)o1 ZINC000593316123 342788001 /nfs/dbraw/zinc/78/80/01/342788001.db2.gz MGIAVVCKKBZPQO-UHFFFAOYSA-N 2 0 266.341 1.675 10 0 CDAERP Cc1nn(-c2ccccc2)cc1C[NH2+]CCOCCC[NH3+] ZINC000629398187 361929910 /nfs/dbraw/zinc/92/99/10/361929910.db2.gz OJTHLKYMVDSHKY-UHFFFAOYSA-N 2 0 288.395 1.636 10 0 CDAERP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCOCCC[NH3+])CC2)C1 ZINC000629399958 361936560 /nfs/dbraw/zinc/93/65/60/361936560.db2.gz NFEHZBDJWQFUDY-DOTOQJQBSA-N 3 0 297.487 1.985 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1nccc2ccccc21 ZINC000629399744 361936761 /nfs/dbraw/zinc/93/67/61/361936761.db2.gz LEMDJVCZASAPSC-UHFFFAOYSA-N 2 0 259.353 1.690 10 0 CDAERP COC(=O)CCCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000600712957 342243832 /nfs/dbraw/zinc/24/38/32/342243832.db2.gz ZXFGZVJKXZWEKA-UONOGXRCSA-N 2 0 268.401 1.794 10 0 CDAERP COC(=O)CCC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000600752274 342248261 /nfs/dbraw/zinc/24/82/61/342248261.db2.gz DCYHDYKKWQIMAT-AWEZNQCLSA-N 2 0 284.400 1.030 10 0 CDAERP CCOC(=O)c1nn(C)cc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594615107 342927882 /nfs/dbraw/zinc/92/78/82/342927882.db2.gz PEBUXEKHUUYTEY-BJHJDKERSA-N 2 0 294.399 1.027 10 0 CDAERP C[NH+](C)C1(CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)CCCC1 ZINC000125651573 187194715 /nfs/dbraw/zinc/19/47/15/187194715.db2.gz SSAWPDZPRZGPSM-QWHCGFSZSA-N 2 0 267.417 1.495 10 0 CDAERP Cc1cncn1CC(=O)NCCC[NH+](C(C)C)C(C)C ZINC000625962859 342282930 /nfs/dbraw/zinc/28/29/30/342282930.db2.gz VBRKWUMHQWQRCQ-UHFFFAOYSA-N 2 0 280.416 1.817 10 0 CDAERP [NH3+][C@H](C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)C1CCC1 ZINC000645107486 362120836 /nfs/dbraw/zinc/12/08/36/362120836.db2.gz PXASBQGABNSYFK-IHRRRGAJSA-N 2 0 265.401 1.104 10 0 CDAERP C[NH2+]C[C@@H]1CCC[N@H+](CCOC2CCOCC2)C1 ZINC000629507225 362121446 /nfs/dbraw/zinc/12/14/46/362121446.db2.gz ASTZTKLWMQPODV-ZDUSSCGKSA-N 2 0 256.390 1.113 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000596057985 343222735 /nfs/dbraw/zinc/22/27/35/343222735.db2.gz ATJNJFZPWMDASS-ARLBYUKCSA-N 2 0 294.439 1.896 10 0 CDAERP Cc1cccc2c1C[C@H]([NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+])CO2 ZINC000629514159 362128532 /nfs/dbraw/zinc/12/85/32/362128532.db2.gz JTEBPQZMUILZFF-DARAHFNDSA-N 2 0 290.407 1.640 10 0 CDAERP COC[C@@H]1C[N@H+](Cc2ccncc2)CC12CC[NH2+]CC2 ZINC000169789816 362141604 /nfs/dbraw/zinc/14/16/04/362141604.db2.gz JIHRPJIUWAGTOT-HNNXBMFYSA-N 2 0 275.396 1.530 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H]1CCCc2sccc21 ZINC000629529251 362154758 /nfs/dbraw/zinc/15/47/58/362154758.db2.gz WOGZNGXVHDGVJT-GFCCVEGCSA-N 2 0 254.399 1.951 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000629529267 362155371 /nfs/dbraw/zinc/15/53/71/362155371.db2.gz XFXCLFDAIHLBTC-JTQLQIEISA-N 2 0 258.312 1.851 10 0 CDAERP Cc1nocc1C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000645145540 362161678 /nfs/dbraw/zinc/16/16/78/362161678.db2.gz RKSSCYZSCBDATB-UHFFFAOYSA-N 2 0 266.389 1.099 10 0 CDAERP COc1cncc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000629533222 362170612 /nfs/dbraw/zinc/17/06/12/362170612.db2.gz OJGIDSQATHESFM-OLZOCXBDSA-N 2 0 276.384 1.307 10 0 CDAERP CSC[C@@H](CCO)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000598965435 343930774 /nfs/dbraw/zinc/93/07/74/343930774.db2.gz MHZCNVZGMSDSEG-VXGBXAGGSA-N 2 0 260.447 1.563 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C[C@H]1CCC[NH2+]C1 ZINC000251858004 344059695 /nfs/dbraw/zinc/05/96/95/344059695.db2.gz SEDBOTQXILDDKI-MCIONIFRSA-N 2 0 265.401 1.071 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000262667295 344696811 /nfs/dbraw/zinc/69/68/11/344696811.db2.gz KVBFLJSDKWHHSS-MELADBBJSA-N 2 0 267.417 1.495 10 0 CDAERP C[NH+](C)CC[C@H](NC(=O)[C@@H]1CC[C@H]([NH3+])C1)C(C)(C)C ZINC000262665964 344696842 /nfs/dbraw/zinc/69/68/42/344696842.db2.gz JVONLBDXDQLUOS-AGIUHOORSA-N 2 0 269.433 1.596 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000262258252 344697235 /nfs/dbraw/zinc/69/72/35/344697235.db2.gz FTPGDSPPJWVQOZ-BARDWOONSA-N 2 0 281.444 1.741 10 0 CDAERP CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000635813563 362599148 /nfs/dbraw/zinc/59/91/48/362599148.db2.gz XOSSWUREUKCUEP-VXGBXAGGSA-N 2 0 262.357 1.066 10 0 CDAERP C[C@]1(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000079514718 362646115 /nfs/dbraw/zinc/64/61/15/362646115.db2.gz GKLPOQRHBBGJFA-DOTOQJQBSA-N 2 0 287.407 1.519 10 0 CDAERP CC[NH+]1CCC(N[C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623340955 346069725 /nfs/dbraw/zinc/06/97/25/346069725.db2.gz HJBKCLLHPFLBTC-CQSZACIVSA-N 2 0 253.434 1.933 10 0 CDAERP CC(C)[NH2+][C@](C)(CO)CCN(C)CC[NH+]1CCCC1 ZINC000085213084 178977511 /nfs/dbraw/zinc/97/75/11/178977511.db2.gz LAOCBCMMHANGKI-HNNXBMFYSA-N 2 0 271.449 1.153 10 0 CDAERP Cc1cc(C[NH2+]CCCC[NH+]2CCOCC2)ccn1 ZINC000623358527 346086731 /nfs/dbraw/zinc/08/67/31/346086731.db2.gz DZCXWEDFDYXUCN-UHFFFAOYSA-N 2 0 263.385 1.592 10 0 CDAERP Clc1cnccc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000623358564 346086759 /nfs/dbraw/zinc/08/67/59/346086759.db2.gz GJPWTBTWGGQDLJ-UHFFFAOYSA-N 2 0 283.803 1.937 10 0 CDAERP CCCNC(=O)CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623371236 346106897 /nfs/dbraw/zinc/10/68/97/346106897.db2.gz WORBPUHDYHCWGI-GFCCVEGCSA-N 2 0 255.406 1.365 10 0 CDAERP C[C@H]([C@H](C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)N1CCOCC1 ZINC000623406383 346209317 /nfs/dbraw/zinc/20/93/17/346209317.db2.gz WQCROMUKJRHDAH-RRFJBIMHSA-N 2 0 283.460 1.558 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000094459833 346256335 /nfs/dbraw/zinc/25/63/35/346256335.db2.gz KRLUOTWEWCJPPV-QLFBSQMISA-N 2 0 279.428 1.461 10 0 CDAERP COCC[N@H+](CCC[C@](C)(O)C[NH3+])[C@@H](C)C1CC1 ZINC000085301181 179010239 /nfs/dbraw/zinc/01/02/39/179010239.db2.gz IRKVIBMVNCROAX-JSGCOSHPSA-N 2 0 258.406 1.223 10 0 CDAERP C[N@H+](CCCNC(=O)[C@H]1CCC[C@@H]1[NH3+])Cc1ccccc1 ZINC000085356209 179030387 /nfs/dbraw/zinc/03/03/87/179030387.db2.gz YVUUMCFERHVKDU-HOTGVXAUSA-N 2 0 289.423 1.752 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000230711213 482558216 /nfs/dbraw/zinc/55/82/16/482558216.db2.gz FOPXGEVIHNYZOV-STQMWFEESA-N 2 0 255.406 1.162 10 0 CDAERP C[NH+](C)C[C@@H](NC(=O)[C@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000085370827 179040946 /nfs/dbraw/zinc/04/09/46/179040946.db2.gz TVZGEGXSEWGIIF-SOUVJXGZSA-N 2 0 275.396 1.533 10 0 CDAERP c1cnc(CC[NH+]2CCC(C[NH+]3CCCC3)CC2)cn1 ZINC000639451671 362712998 /nfs/dbraw/zinc/71/29/98/362712998.db2.gz HUNIERZINBRCEB-UHFFFAOYSA-N 2 0 274.412 1.827 10 0 CDAERP CN(CCC(=O)N[C@H]1CCc2[nH]cnc2C1)c1cc[nH+]cc1 ZINC000584739172 346418001 /nfs/dbraw/zinc/41/80/01/346418001.db2.gz VHVOJMNQLMFTSI-LBPRGKRZSA-N 2 0 299.378 1.305 10 0 CDAERP CC(C)Cc1nc2c(n1C[C@@H](C)[NH+](C)C)CC[NH2+]C2 ZINC000085573124 179098245 /nfs/dbraw/zinc/09/82/45/179098245.db2.gz LHGVDXSTINZZOH-GFCCVEGCSA-N 2 0 264.417 1.677 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000226883059 346523824 /nfs/dbraw/zinc/52/38/24/346523824.db2.gz RJAFPQQHNPWBSW-HOTGVXAUSA-N 2 0 287.407 1.544 10 0 CDAERP C[C@H]1CC[NH2+]C2(CCCC2)C[N@@H+]1CCn1cccn1 ZINC000085623265 179105417 /nfs/dbraw/zinc/10/54/17/179105417.db2.gz KJXIGKOOYYYGBV-AWEZNQCLSA-N 2 0 262.401 1.880 10 0 CDAERP C[NH+]1CCN(CCC[NH2+][C@H]2[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000085671220 179111239 /nfs/dbraw/zinc/11/12/39/179111239.db2.gz GTXMNSCFGFBGDN-PMPSAXMXSA-N 2 0 295.471 1.417 10 0 CDAERP C[C@H](CO[C@@H]1CCOC1)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623443527 346757607 /nfs/dbraw/zinc/75/76/07/346757607.db2.gz DCIQMQKITSRHRV-MGPQQGTHSA-N 2 0 270.417 1.643 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC000635940488 362790061 /nfs/dbraw/zinc/79/00/61/362790061.db2.gz LONQKGQJPNPVPM-STQMWFEESA-N 2 0 255.406 1.173 10 0 CDAERP CNC(=O)[C@H](CC(C)C)N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623473863 347407732 /nfs/dbraw/zinc/40/77/32/347407732.db2.gz KTGKJEHAVZOSAP-STQMWFEESA-N 2 0 269.433 1.610 10 0 CDAERP CC[C@](CN)(C1CC1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000086120415 179235068 /nfs/dbraw/zinc/23/50/68/179235068.db2.gz CWWRUZIFNPMXQQ-HNNXBMFYSA-N 2 0 253.434 1.778 10 0 CDAERP C[C@@H]1C[NH2+][C@@H](Cc2ccccc2)CN1CCC[NH+](C)C ZINC000086153943 179241664 /nfs/dbraw/zinc/24/16/64/179241664.db2.gz MFSYEYRRQILDNJ-WBVHZDCISA-N 2 0 275.440 1.843 10 0 CDAERP C[C@H]1C[NH2+][C@@H](c2ccccc2)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223081 179251223 /nfs/dbraw/zinc/25/12/23/179251223.db2.gz TVJJSSATBFIRJG-ZMSDIMECSA-N 2 0 273.424 1.973 10 0 CDAERP CC(C)[C@H]1C[NH2+][C@H](C2CC2)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086223947 179253778 /nfs/dbraw/zinc/25/37/78/179253778.db2.gz XPMAGWLNCNZVSU-OWCLPIDISA-N 2 0 265.445 1.789 10 0 CDAERP CC[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)[C@@H](O)C(F)F ZINC000623537500 347621534 /nfs/dbraw/zinc/62/15/34/347621534.db2.gz ZBBIULWRGDLSSZ-GARJFASQSA-N 2 0 264.360 1.853 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H](CO)C2)CC1(C)C ZINC000623551679 347628690 /nfs/dbraw/zinc/62/86/90/347628690.db2.gz CHBRWZSYBXVALT-IHRRRGAJSA-N 2 0 254.418 2.000 10 0 CDAERP Cn1cnc(CCC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)n1 ZINC000623557309 347630875 /nfs/dbraw/zinc/63/08/75/347630875.db2.gz RPOVYAJYMZPNMN-GFCCVEGCSA-N 2 0 265.405 1.210 10 0 CDAERP CCC[C@@H]([NH2+]CCOCCC[NH3+])c1ccccn1 ZINC000629536854 362950867 /nfs/dbraw/zinc/95/08/67/362950867.db2.gz ILDKSPIHYLTVNS-CYBMUJFWSA-N 2 0 251.374 1.878 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@@H]1CCCC12CCOCC2 ZINC000629535879 362960591 /nfs/dbraw/zinc/96/05/91/362960591.db2.gz DJYPQHXDUYUXBA-CYBMUJFWSA-N 2 0 256.390 1.291 10 0 CDAERP C[C@H]([NH2+]CCOCCC[NH3+])c1ccc(-n2ccnc2)cc1 ZINC000629535627 362960691 /nfs/dbraw/zinc/96/06/91/362960691.db2.gz CSALUQQHFUCJCO-AWEZNQCLSA-N 2 0 288.395 1.888 10 0 CDAERP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCOCCC[NH3+] ZINC000629541141 362965005 /nfs/dbraw/zinc/96/50/05/362965005.db2.gz WPOJXLIGIXUIHD-UONOGXRCSA-N 3 0 257.422 1.252 10 0 CDAERP Cc1ncc(C[NH2+]CCN2CCC([NH+](C)C)CC2)o1 ZINC000628233440 362973143 /nfs/dbraw/zinc/97/31/43/362973143.db2.gz CHHMCNRQPSLQHN-UHFFFAOYSA-N 2 0 266.389 1.099 10 0 CDAERP O=C(CC[C@H]1CCC[NH2+]C1)N[C@H]1CC[NH2+]C12CCCC2 ZINC000621667683 350703403 /nfs/dbraw/zinc/70/34/03/350703403.db2.gz JKPNZXLQFWWNFR-KGLIPLIRSA-N 2 0 279.428 1.557 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)CC[C@@H]2CCC[NH2+]C2)CC[N@@H+]1C ZINC000621651092 350689821 /nfs/dbraw/zinc/68/98/21/350689821.db2.gz HDYBOPAJSXVLMT-ILXRZTDVSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000629548338 362976412 /nfs/dbraw/zinc/97/64/12/362976412.db2.gz NTNOTKBORXXQNB-XJNFMUPTSA-N 2 0 288.439 1.632 10 0 CDAERP CC[NH+](CC)Cc1ccc(C(=O)NC2CC([NH+](C)C)C2)o1 ZINC000622009726 350933191 /nfs/dbraw/zinc/93/31/91/350933191.db2.gz HYBJLZULKPHEID-UHFFFAOYSA-N 2 0 293.411 1.944 10 0 CDAERP CCOCCC[N@@H+]1CC[C@@H](NC[C@@H]2CCC[NH+]2C)[C@@H](C)C1 ZINC000624270449 351527446 /nfs/dbraw/zinc/52/74/46/351527446.db2.gz UIEDJTSIIBGESY-YESZJQIVSA-N 2 0 297.487 1.807 10 0 CDAERP CO[C@H](C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1)C1CCC1 ZINC000629591186 363067949 /nfs/dbraw/zinc/06/79/49/363067949.db2.gz CICCDWHORQPGML-DLBZAZTESA-N 2 0 296.455 1.892 10 0 CDAERP CC1(C)[C@H](C[NH2+]C[C@@H](O)C[NH+]2CCCC2)C1(F)F ZINC000629585255 363051768 /nfs/dbraw/zinc/05/17/68/363051768.db2.gz ORLKQTAYZZSLQQ-MNOVXSKESA-N 2 0 262.344 1.324 10 0 CDAERP CC(C)N1C(=O)C[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)CC1(C)C ZINC000414747249 366070573 /nfs/dbraw/zinc/07/05/73/366070573.db2.gz UEHBTQHQOGMKIQ-KGLIPLIRSA-N 2 0 281.444 1.706 10 0 CDAERP C[C@@H](NCC[N@H+](C)C1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000556951994 290318568 /nfs/dbraw/zinc/31/85/68/290318568.db2.gz LLVJDQKSCMAPHE-ZIAGYGMSSA-N 2 0 253.434 1.839 10 0 CDAERP C[N@@H+](CC(=O)N1CC[NH2+]CC1)C[C@H]1CCCC(C)(C)C1 ZINC000569809995 363105042 /nfs/dbraw/zinc/10/50/42/363105042.db2.gz DNUUJEQKABUTPC-AWEZNQCLSA-N 2 0 281.444 1.566 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1cccc2c1CCC2 ZINC000629653163 363253352 /nfs/dbraw/zinc/25/33/52/363253352.db2.gz GVDFBEJKXFFDOY-UHFFFAOYSA-N 2 0 262.397 1.843 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC000629677832 363327377 /nfs/dbraw/zinc/32/73/77/363327377.db2.gz HRRDEWOJTVDGTD-UHFFFAOYSA-N 2 0 292.358 1.466 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@@H+]1C ZINC000354918163 291042232 /nfs/dbraw/zinc/04/22/32/291042232.db2.gz HKRHTIUNDXRNEC-XQLPTFJDSA-N 2 0 279.428 1.412 10 0 CDAERP CC(C)(O)CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000092800113 535284951 /nfs/dbraw/zinc/28/49/51/535284951.db2.gz CVKSZHBJEZAWQI-UHFFFAOYSA-N 2 0 254.418 1.955 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)C1 ZINC000569473794 358501132 /nfs/dbraw/zinc/50/11/32/358501132.db2.gz WERBULAFQPKQAH-KFWWJZLASA-N 2 0 279.428 1.413 10 0 CDAERP C[C@H]1CN(C(=O)Nc2cccc(C[NH3+])c2)C[C@H]1[NH+](C)C ZINC000124472319 538450985 /nfs/dbraw/zinc/45/09/85/538450985.db2.gz DATATXVDZXSSJL-SMDDNHRTSA-N 2 0 276.384 1.559 10 0 CDAERP CN(C[C@@H](O)C[NH2+]C1CCC(OC(F)F)CC1)C1CC1 ZINC000644662800 366327952 /nfs/dbraw/zinc/32/79/52/366327952.db2.gz DTFGHMMPKGNRIM-YDGIUTOCSA-N 2 0 292.370 1.582 10 0 CDAERP CN(C)[C@H](Cc1ccccc1)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000106911516 357286738 /nfs/dbraw/zinc/28/67/38/357286738.db2.gz WFYITMYHRPIRMZ-HZPDHXFCSA-N 2 0 289.423 1.370 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N[C@@H](C)CC[NH3+])CC1 ZINC000417392567 283317920 /nfs/dbraw/zinc/31/79/20/283317920.db2.gz PIBIOJNTODPJDE-LBPRGKRZSA-N 2 0 270.421 1.145 10 0 CDAERP CC(C)[C@H](C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[C@H](C)[NH3+] ZINC000634742830 358190651 /nfs/dbraw/zinc/19/06/51/358190651.db2.gz ZDJAMTNGZDIUCB-NZBPQXDJSA-N 2 0 267.417 1.064 10 0 CDAERP CC1(C)C[NH2+]CC[C@H](NC(=O)COC2CCC([NH3+])CC2)C1 ZINC000634761462 358417319 /nfs/dbraw/zinc/41/73/19/358417319.db2.gz BSFCQLHANFERIE-MOKVOYLWSA-N 2 0 297.443 1.167 10 0 CDAERP C[C@H]1CC[C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)CS1 ZINC000655715798 482817985 /nfs/dbraw/zinc/81/79/85/482817985.db2.gz NTCACADRQNFPGP-NWDGAFQWSA-N 2 0 258.431 1.317 10 0 CDAERP C[NH+](C)C1CCC(NC(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000643233211 358873349 /nfs/dbraw/zinc/87/33/49/358873349.db2.gz JCGXYWSXQRWQMD-ROKHWSDSSA-N 2 0 282.432 1.253 10 0 CDAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000346462439 359015245 /nfs/dbraw/zinc/01/52/45/359015245.db2.gz QNDMKMBFYHGYRK-BYNSBNAKSA-N 2 0 281.444 1.800 10 0 CDAERP C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2C[C@@]2(C)CC[NH2+]C2)C[C@H](C)O1 ZINC000261894701 359081328 /nfs/dbraw/zinc/08/13/28/359081328.db2.gz UOVNOKBAADSIDY-YVSFHVDLSA-N 2 0 295.471 1.560 10 0 CDAERP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)CC1 ZINC000261990075 359116035 /nfs/dbraw/zinc/11/60/35/359116035.db2.gz SNAWRAJGXXGOPH-OAGGEKHMSA-N 2 0 281.444 1.075 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CC2(CF)CCOCC2)CN1C1CC1 ZINC000449488863 359133613 /nfs/dbraw/zinc/13/36/13/359133613.db2.gz LVHUQXNFMGGZJQ-CHWSQXEVSA-N 2 0 270.392 1.968 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)CC[NH2+]1 ZINC000262430453 359165081 /nfs/dbraw/zinc/16/50/81/359165081.db2.gz WKUVEQDJNXKCFQ-CWRNSKLLSA-N 2 0 293.455 1.565 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCCC[C@]2(C)[NH3+])CC[N@@H+]1C ZINC000263271536 359252330 /nfs/dbraw/zinc/25/23/30/359252330.db2.gz SGYKKEWXLHUUPQ-KQTLUZQSSA-N 2 0 281.444 1.835 10 0 CDAERP Cc1nn(C)c(C)c1CC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000422812775 359659999 /nfs/dbraw/zinc/65/99/99/359659999.db2.gz WXLIFRQMXIYUNG-HIFRSBDPSA-N 2 0 264.417 1.687 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](C2CC2)C1 ZINC000347900241 359658080 /nfs/dbraw/zinc/65/80/80/359658080.db2.gz UAIKIKKDYVRUFY-CABCVRRESA-N 2 0 279.428 1.556 10 0 CDAERP C[C@H](CCC[NH3+])[NH2+][C@@H](c1cnn[nH]1)c1ccc(F)cc1 ZINC000423464963 359802578 /nfs/dbraw/zinc/80/25/78/359802578.db2.gz WDZWCZVAZULRQW-QMTHXVAHSA-N 2 0 277.347 1.750 10 0 CDAERP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000417799707 359840339 /nfs/dbraw/zinc/84/03/39/359840339.db2.gz SWMIQICTEATWRP-SNPRPXQTSA-N 2 0 294.443 1.382 10 0 CDAERP COC(=O)CC1CC([NH2+]Cc2ccc3c[nH+]cn3c2)C1 ZINC000424330450 360009912 /nfs/dbraw/zinc/00/99/12/360009912.db2.gz IAQFOJZUVSBEOT-UHFFFAOYSA-N 2 0 273.336 1.766 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCC1([NH3+])CCCCCC1 ZINC000424472949 360069700 /nfs/dbraw/zinc/06/97/00/360069700.db2.gz GHNAGAMJLHHAET-CHWSQXEVSA-N 2 0 282.432 1.607 10 0 CDAERP CC(C)[NH2+]CCCNC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000514850132 360385397 /nfs/dbraw/zinc/38/53/97/360385397.db2.gz FXFAFZLYCWICCX-GASCZTMLSA-N 2 0 298.475 1.937 10 0 CDAERP Cn1c2ccc(C[NH2+][C@H]3CC[C@H](C[NH3+])C3)cc2sc1=O ZINC000516551203 360617296 /nfs/dbraw/zinc/61/72/96/360617296.db2.gz WIOSKVWESADFOX-JQWIXIFHSA-N 2 0 291.420 1.817 10 0 CDAERP CCC1([NH+](C)C)CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000635001058 360642243 /nfs/dbraw/zinc/64/22/43/360642243.db2.gz DNFQIKXPBYTBSH-UHFFFAOYSA-N 2 0 251.418 1.545 10 0 CDAERP c1ccc(CC[NH+]2CCN(CC34CC(C3)C[NH2+]4)CC2)cc1 ZINC000634991951 360618030 /nfs/dbraw/zinc/61/80/30/360618030.db2.gz XQAKVAQRNLHHAE-UHFFFAOYSA-N 2 0 285.435 1.599 10 0 CDAERP C[C@@H](C(=O)N1CCC[C@H]([NH+]2CCCCC2)C1)[C@H](C)[NH3+] ZINC000365189459 360630804 /nfs/dbraw/zinc/63/08/04/360630804.db2.gz BWANKEHFBMWENO-RDBSUJKOSA-N 2 0 267.417 1.447 10 0 CDAERP COc1ccc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cc1O ZINC000634999045 360635890 /nfs/dbraw/zinc/63/58/90/360635890.db2.gz PERVFTYIXJVGSQ-JQWIXIFHSA-N 2 0 250.342 1.427 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000626941517 360672524 /nfs/dbraw/zinc/67/25/24/360672524.db2.gz AXXGWWICOKTSSZ-MELADBBJSA-N 2 0 282.432 1.158 10 0 CDAERP CC(C)[NH2+]CCC(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000566610377 360709601 /nfs/dbraw/zinc/70/96/01/360709601.db2.gz KPHCYLLEERBOKF-UONOGXRCSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@@H]1CN(C(=O)CC2(C[NH3+])CCCCC2)C[C@@]1(C)C[NH3+] ZINC000417848610 360785947 /nfs/dbraw/zinc/78/59/47/360785947.db2.gz VSDRBTGXGXBEQN-UKRRQHHQSA-N 2 0 281.444 1.729 10 0 CDAERP C[N@@H+](Cc1ccc([S@](C)=O)cc1)CC1CC[NH2+]CC1 ZINC000178975795 189159199 /nfs/dbraw/zinc/15/91/99/189159199.db2.gz XXCMTHGFIRPDNI-IBGZPJMESA-N 2 0 280.437 1.855 10 0 CDAERP c1c(CNC2CC[NH+]([C@H]3CCOC3)CC2)onc1C1CC1 ZINC000639329215 361135380 /nfs/dbraw/zinc/13/53/80/361135380.db2.gz VTIACLCETMCDGB-AWEZNQCLSA-N 2 0 291.395 1.895 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+]2CCC1CC2 ZINC000336587230 363784905 /nfs/dbraw/zinc/78/49/05/363784905.db2.gz YCFUEMGNFMNKDU-HNNXBMFYSA-N 2 0 294.443 1.350 10 0 CDAERP C[C@H](C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000248639714 361720466 /nfs/dbraw/zinc/72/04/66/361720466.db2.gz RAYJWIWIZZWHPP-DXUDUQDWSA-N 2 0 279.428 1.443 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NC(C)(C)C[NH+](C)C ZINC000458349614 364155664 /nfs/dbraw/zinc/15/56/64/364155664.db2.gz XKADMRYXONJCOG-OKILXGFUSA-N 2 0 298.475 1.889 10 0 CDAERP O=C(C1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1)N1CCCCC1 ZINC000334831424 283759765 /nfs/dbraw/zinc/75/97/65/283759765.db2.gz USQQTMNRHDYDGO-OAHLLOKOSA-N 2 0 293.455 1.711 10 0 CDAERP C[NH+](C)Cc1cc(C[NH2+]C2CCN(C=O)CC2)ccc1F ZINC000278356192 366836668 /nfs/dbraw/zinc/83/66/68/366836668.db2.gz AZOXTFKRCZTGQT-UHFFFAOYSA-N 2 0 293.386 1.598 10 0 CDAERP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000361522631 364716297 /nfs/dbraw/zinc/71/62/97/364716297.db2.gz BBRDXGOACNZALF-RDBSUJKOSA-N 2 0 255.450 1.893 10 0 CDAERP CC[NH+](CC)CCC[NH2+][C@H](COC)C1CCOCC1 ZINC000187671742 364799738 /nfs/dbraw/zinc/79/97/38/364799738.db2.gz ZGUHVKZRCFDVRV-OAHLLOKOSA-N 2 0 272.433 1.750 10 0 CDAERP C[C@H]([NH3+])[C@@H]1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000582240501 364817205 /nfs/dbraw/zinc/81/72/05/364817205.db2.gz UAMGAROJMNKOAL-BFHYXJOUSA-N 2 0 267.417 1.447 10 0 CDAERP COC[C@H](C)C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000188352653 365194990 /nfs/dbraw/zinc/19/49/90/365194990.db2.gz WOCYYVMRMWBFEZ-PBHICJAKSA-N 2 0 292.423 1.625 10 0 CDAERP CCN(C)c1ccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cn1 ZINC000414941578 370814600 /nfs/dbraw/zinc/81/46/00/370814600.db2.gz LRUGPHSVZZRMSN-JSGCOSHPSA-N 2 0 262.401 1.625 10 0 CDAERP COc1ccc(COCC[NH2+][C@@H]2CN(C)C[C@H]2C)cc1 ZINC000357341688 366928416 /nfs/dbraw/zinc/92/84/16/366928416.db2.gz CNXQFHLIAKWHPK-CZUORRHYSA-N 2 0 278.396 1.752 10 0 CDAERP CC[NH+]1CCC(CNC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000626964137 367098943 /nfs/dbraw/zinc/09/89/43/367098943.db2.gz MRFPLACCMCKDGL-GXTWGEPZSA-N 2 0 282.432 1.158 10 0 CDAERP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000626971465 367110111 /nfs/dbraw/zinc/11/01/11/367110111.db2.gz ITYQFLDMJULHHI-SOUVJXGZSA-N 2 0 296.459 1.691 10 0 CDAERP COc1c(O)cccc1C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415045036 241531373 /nfs/dbraw/zinc/53/13/73/241531373.db2.gz SXMHGILLRILLSE-PWSUYJOCSA-N 2 0 250.342 1.618 10 0 CDAERP CC(C)CN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000516783251 367183409 /nfs/dbraw/zinc/18/34/09/367183409.db2.gz CJHRGCXEJSQDNV-OAHLLOKOSA-N 2 0 295.471 1.907 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000566862700 370830388 /nfs/dbraw/zinc/83/03/88/370830388.db2.gz QFNNFNLBUURTMW-DGCLKSJQSA-N 2 0 261.369 1.045 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](c3ccnc(N)n3)C2)CC[NH2+]1 ZINC000415109893 241574939 /nfs/dbraw/zinc/57/49/39/241574939.db2.gz SBZTWPXRWZEVHN-MGPQQGTHSA-N 2 0 289.427 1.457 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)NCc2ccc3c(c2)C[NH2+]C3)C[NH2+]1 ZINC000627086726 367407630 /nfs/dbraw/zinc/40/76/30/367407630.db2.gz CKARMQNJYQKVKC-IAQYHMDHSA-N 2 0 288.395 1.230 10 0 CDAERP Cc1ccncc1C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000280819181 367549858 /nfs/dbraw/zinc/54/98/58/367549858.db2.gz IRLWJYDRZSJZLD-INIZCTEOSA-N 2 0 277.412 1.717 10 0 CDAERP CC(C)[C@@H]([NH3+])CCN(C)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627126300 367502840 /nfs/dbraw/zinc/50/28/40/367502840.db2.gz PYNGFBZZOCHJRC-STQMWFEESA-N 2 0 282.432 1.286 10 0 CDAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCC1([NH+](C)C)CCCC1 ZINC000416827301 242171905 /nfs/dbraw/zinc/17/19/05/242171905.db2.gz NGANNBPPRCTDCH-STQMWFEESA-N 2 0 282.432 1.158 10 0 CDAERP C[C@H]1CC[C@H](NC(=O)N2CCC3(CC[NH2+]CC3)CC2)C[NH2+]1 ZINC000627208553 367706545 /nfs/dbraw/zinc/70/65/45/367706545.db2.gz YFEACQTTWPCFDK-KBPBESRZSA-N 2 0 294.443 1.302 10 0 CDAERP CC(C)[C@@H]([NH3+])CCN(C)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627207918 367710010 /nfs/dbraw/zinc/71/00/10/367710010.db2.gz UMGMOBNDXPQXHA-UPJWGTAASA-N 2 0 270.421 1.142 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000627238093 367799821 /nfs/dbraw/zinc/79/98/21/367799821.db2.gz AHEWPHSSIDAZFW-RRFJBIMHSA-N 2 0 294.443 1.397 10 0 CDAERP COc1ccccc1/C=C\C[NH2+]CCN1CC[NH2+]CC1 ZINC000414862253 367819411 /nfs/dbraw/zinc/81/94/11/367819411.db2.gz HCJBDIAGSMMWMS-XQRVVYSFSA-N 2 0 275.396 1.203 10 0 CDAERP C(CN1CC[NH2+]CC1)[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000414862792 367840657 /nfs/dbraw/zinc/84/06/57/367840657.db2.gz HYTABYWILVBOJU-CABCVRRESA-N 2 0 251.418 1.450 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCCNC(=O)CCC1C[NH2+]C1 ZINC000638056567 367880261 /nfs/dbraw/zinc/88/02/61/367880261.db2.gz MWALUEULWOKVNP-ZDUSSCGKSA-N 2 0 267.417 1.367 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCCCCC[NH+]1CCCC1 ZINC000418213458 242779266 /nfs/dbraw/zinc/77/92/66/242779266.db2.gz HOZXCGHSQHWOLO-CABCVRRESA-N 2 0 296.459 1.550 10 0 CDAERP COC[C@H](CC(C)C)[NH2+]CCCC[NH+]1CCOCC1 ZINC000359927493 368027409 /nfs/dbraw/zinc/02/74/09/368027409.db2.gz WBEVDIWKHUZLDA-HNNXBMFYSA-N 2 0 272.433 1.750 10 0 CDAERP C[C@@H](CCCC[NH3+])NC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418406800 243038914 /nfs/dbraw/zinc/03/89/14/243038914.db2.gz CJGJZXBPJWXYIY-GXTWGEPZSA-N 2 0 278.400 1.503 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]([NH3+])C2CC2)[C@@H](C)C1 ZINC000418498855 243146822 /nfs/dbraw/zinc/14/68/22/243146822.db2.gz MRFDZALRSWABHE-YUTCNCBUSA-N 2 0 282.432 1.095 10 0 CDAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000418621328 243285957 /nfs/dbraw/zinc/28/59/57/243285957.db2.gz SADUTWVBKFVRHW-DZGCQCFKSA-N 2 0 296.459 1.500 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC000542785313 368822571 /nfs/dbraw/zinc/82/25/71/368822571.db2.gz LWUNKIGPRYGKJU-CQSZACIVSA-N 2 0 292.427 1.754 10 0 CDAERP CN(CC1CC1)C(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420339726 244108672 /nfs/dbraw/zinc/10/86/72/244108672.db2.gz RKUVXJHHWCZZEH-HNNXBMFYSA-N 2 0 279.428 1.319 10 0 CDAERP c1c(C[NH2+]C2CCCCC2)nnn1C[C@@H]1CCC[NH2+]1 ZINC000630602522 369364925 /nfs/dbraw/zinc/36/49/25/369364925.db2.gz CCWQPPPGGYDMMF-ZDUSSCGKSA-N 2 0 263.389 1.452 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](CC(C)C)[NH+](C)C)CC[N@@H+]1C ZINC000631268721 369610857 /nfs/dbraw/zinc/61/08/57/369610857.db2.gz DEUIOLQWBSWMIY-SOUVJXGZSA-N 2 0 283.460 1.809 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1C ZINC000630826452 370051787 /nfs/dbraw/zinc/05/17/87/370051787.db2.gz ODSACKACEFMIKR-KWCYVHTRSA-N 2 0 265.401 1.070 10 0 CDAERP c1nc2c([nH]1)C[C@@H]([NH2+]Cc1c[nH]nc1-c1cccnc1)CC2 ZINC000370730087 370140403 /nfs/dbraw/zinc/14/04/03/370140403.db2.gz MFYGJYKERONFJN-ZDUSSCGKSA-N 2 0 294.362 1.842 10 0 CDAERP CC[NH2+]Cc1ccccc1NC(=O)C[C@H](C[NH3+])OC ZINC000565539535 370471557 /nfs/dbraw/zinc/47/15/57/370471557.db2.gz BHWHBBWCSMHMBB-GFCCVEGCSA-N 2 0 265.357 1.098 10 0 CDAERP C[C@H](N[C@H](Cc1ccccc1)C[NH+](C)C)C1C[NH2+]C1 ZINC000422716103 245172007 /nfs/dbraw/zinc/17/20/07/245172007.db2.gz MWVINFSLHFTGKV-XJKSGUPXSA-N 2 0 261.413 1.357 10 0 CDAERP COCCN1CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000375847409 370999579 /nfs/dbraw/zinc/99/95/79/370999579.db2.gz AWBVXHMXOKHXLI-BRWVUGGUSA-N 2 0 295.471 1.560 10 0 CDAERP C[NH+](C)CCCC[NH2+][C@@H](c1cnn[nH]1)c1ccc(F)cc1 ZINC000340463454 371057960 /nfs/dbraw/zinc/05/79/60/371057960.db2.gz MMHHHRQESGHIDS-OAHLLOKOSA-N 2 0 291.374 1.965 10 0 CDAERP C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccc2c(c1)OCCO2 ZINC000422761375 245225764 /nfs/dbraw/zinc/22/57/64/245225764.db2.gz LZSQPKATWUJKGZ-QWRGUYRKSA-N 2 0 262.353 1.716 10 0 CDAERP Cc1cc(C)n2c(C[NH2+]CCC[C@H]3CCC[NH2+]3)cnc2n1 ZINC000414976875 371261611 /nfs/dbraw/zinc/26/16/11/371261611.db2.gz QNTAVAFVPACLJR-AWEZNQCLSA-N 2 0 287.411 1.968 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)C[NH+](C)[C@@H]2CCSC2)CC[N@@H+]1C ZINC000164256227 371305029 /nfs/dbraw/zinc/30/50/29/371305029.db2.gz XNMJVKREMTXFIP-MGPQQGTHSA-N 2 0 299.484 1.365 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)CCCC[NH+](C)C ZINC000573116235 371428465 /nfs/dbraw/zinc/42/84/65/371428465.db2.gz XZXYIVPPIGHEHN-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171901793 372251929 /nfs/dbraw/zinc/25/19/29/372251929.db2.gz UAHWIECGQFREOX-LSDHHAIUSA-N 2 0 296.459 1.452 10 0 CDAERP CC(C)OCC[C@@H](O)C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000581007150 372783150 /nfs/dbraw/zinc/78/31/50/372783150.db2.gz HZFPWPBXHFXTMA-UYSNPLJNSA-N 2 0 284.444 1.769 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1CC ZINC000176990592 372808180 /nfs/dbraw/zinc/80/81/80/372808180.db2.gz YHSBTYWREVYZLH-CABCVRRESA-N 2 0 281.444 1.804 10 0 CDAERP CCC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@H]2CC)CC1 ZINC000630919259 373356242 /nfs/dbraw/zinc/35/62/42/373356242.db2.gz VHROZAMAAHKCAQ-KGLIPLIRSA-N 2 0 267.417 1.271 10 0 CDAERP C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)CC1CCCC1 ZINC000064020608 373368121 /nfs/dbraw/zinc/36/81/21/373368121.db2.gz LLYLNVMTJMDGJP-UHFFFAOYSA-N 2 0 293.455 1.851 10 0 CDAERP [NH3+]CC[C@H]1CCC[N@@H+]([C@@H]2CCN(C3CCC3)C2=O)C1 ZINC000631825276 373711333 /nfs/dbraw/zinc/71/13/33/373711333.db2.gz DMTAUPSWXNTJLJ-TZMCWYRMSA-N 2 0 265.401 1.201 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000341435496 373692042 /nfs/dbraw/zinc/69/20/42/373692042.db2.gz SIURAELHSYZRQF-KFWWJZLASA-N 2 0 298.475 1.889 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[NH+]2CCC1CC2 ZINC000341536898 373773186 /nfs/dbraw/zinc/77/31/86/373773186.db2.gz CMJBOTZRTITECP-CYBMUJFWSA-N 2 0 282.432 1.206 10 0 CDAERP C[C@H]([NH2+]CC1(CO)CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000643466255 373935363 /nfs/dbraw/zinc/93/53/63/373935363.db2.gz KNVPLBSEVUISFS-KBPBESRZSA-N 2 0 254.418 1.907 10 0 CDAERP CCC1([NH+](C)C)CC[NH+](C[C@@]2(O)CCCOC2)CC1 ZINC000640014973 373993110 /nfs/dbraw/zinc/99/31/10/373993110.db2.gz CDAGTKIGIRGKRI-HNNXBMFYSA-N 2 0 270.417 1.334 10 0 CDAERP [NH3+]CCCN(CC1CCCC1)C(=O)NCCC1(C[NH3+])CC1 ZINC000652232322 541924129 /nfs/dbraw/zinc/92/41/29/541924129.db2.gz WZSYWFPVWHUBHI-UHFFFAOYSA-N 2 0 296.459 1.666 10 0 CDAERP O=C(NCCC[C@H]1CCC[NH2+]1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000418758092 374569709 /nfs/dbraw/zinc/56/97/09/374569709.db2.gz ZUNYIDRVYJYVLQ-OCCSQVGLSA-N 2 0 280.416 1.055 10 0 CDAERP CS[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000425339533 246779684 /nfs/dbraw/zinc/77/96/84/246779684.db2.gz CPBONBNYVLQBGP-AEGPPILISA-N 2 0 284.469 1.971 10 0 CDAERP C[N@@H+]1CC[C@@]2(CCN(C(=[NH2+])NCc3ccccc3)C2)C1 ZINC000307716569 375405821 /nfs/dbraw/zinc/40/58/21/375405821.db2.gz HZKPLWJRXAEFIK-MRXNPFEDSA-N 2 0 272.396 1.739 10 0 CDAERP CC[NH+](CC)CCCNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000416815874 375691351 /nfs/dbraw/zinc/69/13/51/375691351.db2.gz ODJPIFFUMGIDRP-OKILXGFUSA-N 2 0 282.432 1.254 10 0 CDAERP C[C@H](CNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)C[NH+]1CCCC1 ZINC000417138354 375728771 /nfs/dbraw/zinc/72/87/71/375728771.db2.gz NVJYBJSJFXZUHU-QLFBSQMISA-N 2 0 294.443 1.112 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH+]1CCCC[C@H]1C ZINC000344524941 376453732 /nfs/dbraw/zinc/45/37/32/376453732.db2.gz UDERVJPAPQQIRI-KFWWJZLASA-N 2 0 281.444 1.850 10 0 CDAERP CC[NH+]1CCC(CC[NH2+][C@@H]2CN(C)C[C@H]2C)CC1 ZINC000344581477 376580251 /nfs/dbraw/zinc/58/02/51/376580251.db2.gz AETVSFLGZIMYNU-UKRRQHHQSA-N 2 0 253.434 1.648 10 0 CDAERP C[C@@H]1CN(Cc2cnn(C(C)(C)C)c2)C[C@@H]1C[NH3+] ZINC000631836543 376680533 /nfs/dbraw/zinc/68/05/33/376680533.db2.gz BCMJHKDDSUSPLE-YPMHNXCESA-N 2 0 250.390 1.665 10 0 CDAERP CCC1([NH+](C)C)CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000631866096 376747795 /nfs/dbraw/zinc/74/77/95/376747795.db2.gz TZGPAFZLALRGGV-AWEZNQCLSA-N 2 0 253.434 1.792 10 0 CDAERP c1cc2c(cc1C[N@@H+]1CCC[C@@H]3C[NH2+]CC[C@H]31)C[NH2+]CC2 ZINC000631890743 376786906 /nfs/dbraw/zinc/78/69/06/376786906.db2.gz SOVLSKQDOLIBQI-SJLPKXTDSA-N 3 0 285.435 1.906 10 0 CDAERP CCN(C(=O)C[NH2+]C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000165945451 376858430 /nfs/dbraw/zinc/85/84/30/376858430.db2.gz NELZEPHUGAKZFR-HOCLYGCPSA-N 2 0 289.423 1.890 10 0 CDAERP [NH3+]CCCN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000414695524 295229707 /nfs/dbraw/zinc/22/97/07/295229707.db2.gz OYHMXIBDOUWXKW-HNNXBMFYSA-N 2 0 253.434 1.923 10 0 CDAERP CC1(CNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)CC[NH2+]CC1 ZINC000334934757 377701779 /nfs/dbraw/zinc/70/17/79/377701779.db2.gz MWLQASUVNNFJJI-CQSZACIVSA-N 2 0 292.427 1.032 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CC[NH+](CC)CC ZINC000572059241 377678359 /nfs/dbraw/zinc/67/83/59/377678359.db2.gz YVNIPMSOADBWJA-CABCVRRESA-N 2 0 299.459 1.070 10 0 CDAERP C[C@@H]1[C@H]([NH3+])CCN1C(=O)NCC1([NH3+])CCCCCC1 ZINC000334936648 377707006 /nfs/dbraw/zinc/70/70/06/377707006.db2.gz SBCSHCXQJRINSN-VXGBXAGGSA-N 2 0 268.405 1.169 10 0 CDAERP CN(C(=O)N[C@H](C[NH3+])C1CCCC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000572263051 377811263 /nfs/dbraw/zinc/81/12/63/377811263.db2.gz AFKFFCMUSMRMQI-HUUCEWRRSA-N 2 0 294.443 1.382 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCC(C)(C)[NH3+] ZINC000417533087 377865647 /nfs/dbraw/zinc/86/56/47/377865647.db2.gz MDHDTFOXLMDVET-TXEJJXNPSA-N 2 0 270.421 1.286 10 0 CDAERP C[NH+](C)C1(CNC2=[NH+]CCCN2)CCCCCC1 ZINC000261754427 377898815 /nfs/dbraw/zinc/89/88/15/377898815.db2.gz KJKODECJLFOMQU-UHFFFAOYSA-N 2 0 252.406 1.580 10 0 CDAERP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000261751889 377896197 /nfs/dbraw/zinc/89/61/97/377896197.db2.gz HKMHEPYBOHAEDG-OPRQNNNFSA-N 2 0 279.428 1.398 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000633081726 378107546 /nfs/dbraw/zinc/10/75/46/378107546.db2.gz KTKKQMKXQIEMAY-AWEZNQCLSA-N 2 0 296.459 1.596 10 0 CDAERP CC1(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC[NH2+]CC1 ZINC000183346529 378183934 /nfs/dbraw/zinc/18/39/34/378183934.db2.gz NYABLQRFNSQQQP-IHRRRGAJSA-N 2 0 279.428 1.413 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)CC[N@@H+]1C ZINC000633594395 378575665 /nfs/dbraw/zinc/57/56/65/378575665.db2.gz REXMUOBQSDPIRE-JJXSEGSLSA-N 2 0 293.455 1.850 10 0 CDAERP C[NH+](C)CCC[C@H]1C[N@H+](C[C@@H]2CCC(C)(C)O2)CCO1 ZINC000662324256 412892410 /nfs/dbraw/zinc/89/24/10/412892410.db2.gz STJTWVXIIUZIMG-GJZGRUSLSA-N 2 0 284.444 1.987 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089461158 284721929 /nfs/dbraw/zinc/72/19/29/284721929.db2.gz WHWQDDUBGYUOBM-YNEHKIRRSA-N 2 0 255.406 1.208 10 0 CDAERP COC1(C[C@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)CCC1 ZINC000429521190 284734312 /nfs/dbraw/zinc/73/43/12/284734312.db2.gz FLNDVBJBEAAZLT-HNNXBMFYSA-N 2 0 297.487 1.950 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCCCCF ZINC001662414537 1172544852 /nfs/dbraw/zinc/54/48/52/1172544852.db2.gz BCXUXRLHINGTKR-OLZOCXBDSA-N 2 0 273.396 1.172 10 0 CDAERP C[NH+](C)CCC[C@H]1C[N@H+](CCCC2CC[NH2+]CC2)CCO1 ZINC000662327790 412900137 /nfs/dbraw/zinc/90/01/37/412900137.db2.gz VJVIDSLKUJDLES-KRWDZBQOSA-N 3 0 297.487 1.809 10 0 CDAERP CCn1cc(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)cn1 ZINC000657573013 412903880 /nfs/dbraw/zinc/90/38/80/412903880.db2.gz HVARTWPRCYSFSV-AWEZNQCLSA-N 2 0 281.448 1.265 10 0 CDAERP Cc1nc(F)ccc1C[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000278815811 194167556 /nfs/dbraw/zinc/16/75/56/194167556.db2.gz SUBYYFUIDSPZFB-CYBMUJFWSA-N 2 0 294.418 1.645 10 0 CDAERP CC[NH+]1CCC(CNC(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000054292197 483129563 /nfs/dbraw/zinc/12/95/63/483129563.db2.gz QIPWTGXOJDLWDC-AWEZNQCLSA-N 2 0 267.417 1.224 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000417000553 284801571 /nfs/dbraw/zinc/80/15/71/284801571.db2.gz CZNBYHVADYDTJX-JHJVBQTASA-N 2 0 270.421 1.109 10 0 CDAERP C[C@H](C[NH+]1CCC(CC[NH+](C)C)CC1)CS(C)(=O)=O ZINC000119272637 139750028 /nfs/dbraw/zinc/75/00/28/139750028.db2.gz HQRCTCNAJGZYIQ-CYBMUJFWSA-N 2 0 290.473 1.331 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655926298 412945080 /nfs/dbraw/zinc/94/50/80/412945080.db2.gz DJWGZKHFNQIWIF-ZJUUUORDSA-N 2 0 298.353 1.296 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]CC2(CC(N)=O)CCCCC2)CC[N@@H+]1C ZINC000658343650 483151263 /nfs/dbraw/zinc/15/12/63/483151263.db2.gz PZWBWJDVSAEURB-KBPBESRZSA-N 2 0 281.444 1.885 10 0 CDAERP [NH3+]Cc1cccc(NC(=O)C2([NH2+]C3CC3)CCC2)c1 ZINC000662392589 412952232 /nfs/dbraw/zinc/95/22/32/412952232.db2.gz KXVKLGALNJKWMX-UHFFFAOYSA-N 2 0 259.353 1.759 10 0 CDAERP C[C@@H](Cc1ccoc1)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000453104204 252269650 /nfs/dbraw/zinc/26/96/50/252269650.db2.gz UDBPQFAUHRIJPL-HNNXBMFYSA-N 2 0 279.428 1.828 10 0 CDAERP C[C@@H](O)c1ncc(C[NH2+]CCCC[NH+](C)C)s1 ZINC000289319261 197295934 /nfs/dbraw/zinc/29/59/34/197295934.db2.gz SVESKLRUTBQFMN-SNVBAGLBSA-N 2 0 257.403 1.628 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000174349832 285184199 /nfs/dbraw/zinc/18/41/99/285184199.db2.gz IKZFUBODMDFENC-HNNXBMFYSA-N 2 0 296.459 1.502 10 0 CDAERP C[C@H](CC(=O)N[C@H]1CC[NH2+]C[C@@H]1C)C1CC[NH2+]CC1 ZINC000647001770 390350607 /nfs/dbraw/zinc/35/06/07/390350607.db2.gz XSRAAOUYFWDDBQ-DYEKYZERSA-N 2 0 267.417 1.126 10 0 CDAERP C[C@@]1(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)CC[NH2+]C1 ZINC000647538363 390687128 /nfs/dbraw/zinc/68/71/28/390687128.db2.gz ONHVUVBCXDPCJZ-HZPDHXFCSA-N 2 0 259.397 1.946 10 0 CDAERP c1cc(C[C@@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)ccn1 ZINC000647538016 390687138 /nfs/dbraw/zinc/68/71/38/390687138.db2.gz CDKZQNHVVCYIHH-INIZCTEOSA-N 2 0 259.397 1.946 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C[NH3+])CC(C)C)[C@H](C)C1 ZINC000418421271 285390602 /nfs/dbraw/zinc/39/06/02/285390602.db2.gz BBAJVHSCWNGAOZ-ILXRZTDVSA-N 2 0 298.475 1.732 10 0 CDAERP [NH3+]C1CCC(OCC(=O)N[C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000648210489 390953017 /nfs/dbraw/zinc/95/30/17/390953017.db2.gz SVEBPOAEDCANGU-JXQTWKCFSA-N 2 0 295.427 1.064 10 0 CDAERP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423394123 391016820 /nfs/dbraw/zinc/01/68/20/391016820.db2.gz PTGJHDYKFBFJMB-RWMBFGLXSA-N 2 0 293.377 1.847 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N(C)[C@@H](C)C[NH3+])CC1 ZINC000417750740 391024703 /nfs/dbraw/zinc/02/47/03/391024703.db2.gz OCJWAAKMYBAJDE-LBPRGKRZSA-N 2 0 270.421 1.097 10 0 CDAERP Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647549456 390992698 /nfs/dbraw/zinc/99/26/98/390992698.db2.gz ANXKSTZKWOYHBR-RBSFLKMASA-N 2 0 276.428 1.557 10 0 CDAERP C[C@H]1C[NH2+]C[C@@H](NCc2ccccc2OCC[NH+](C)C)C1 ZINC000647550159 390993835 /nfs/dbraw/zinc/99/38/35/390993835.db2.gz CRVLEHXAHDAMPE-ZBFHGGJFSA-N 2 0 291.439 1.715 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)[C@@H]([NH3+])CC(C)C)CC1 ZINC000165868274 391039647 /nfs/dbraw/zinc/03/96/47/391039647.db2.gz ABYGEVAIEXWEGZ-AWEZNQCLSA-N 2 0 269.433 1.598 10 0 CDAERP C[NH+]1CCC2(CC1)C[N@H+](C[C@H]1CCSC1)CCO2 ZINC000648072094 391088817 /nfs/dbraw/zinc/08/88/17/391088817.db2.gz KXPXYZVDTZMQTO-CYBMUJFWSA-N 2 0 270.442 1.536 10 0 CDAERP CC(C)[N@H+]1C[C@H](NC(=O)NC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000123046805 391234079 /nfs/dbraw/zinc/23/40/79/391234079.db2.gz GSTGKWXUICEORW-JSGCOSHPSA-N 2 0 282.432 1.109 10 0 CDAERP C[C@@H]1C[N@@H+](CCCC[NH2+]CC2(F)CC2)C[C@H](C)O1 ZINC000527031566 391252646 /nfs/dbraw/zinc/25/26/46/391252646.db2.gz HNIKWUSERQCYOW-BETUJISGSA-N 2 0 258.381 1.968 10 0 CDAERP C[NH+](C)CCN1CCC([NH2+][C@H]2CCCc3n[nH]cc32)CC1 ZINC000367625853 391274498 /nfs/dbraw/zinc/27/44/98/391274498.db2.gz ZEXJBDASIKIQAT-HNNXBMFYSA-N 2 0 291.443 1.403 10 0 CDAERP CCC[C@](C)([NH3+])C(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000262587168 391287549 /nfs/dbraw/zinc/28/75/49/391287549.db2.gz SWVKNNVITVZUFM-GVXVVHGQSA-N 2 0 273.446 1.008 10 0 CDAERP O[C@H](C[NH2+][C@@H]1CCCc2ccccc2C1)C[NH+]1CCCC1 ZINC000648433476 391319672 /nfs/dbraw/zinc/31/96/72/391319672.db2.gz XMXVTVAGIFOJDJ-QZTJIDSGSA-N 2 0 288.435 1.980 10 0 CDAERP CC(=O)NC[C@H]1CCCN(C[C@@H]([NH3+])CC(C)C)C1 ZINC000414672069 391338306 /nfs/dbraw/zinc/33/83/06/391338306.db2.gz OWQCOJJZTHQHMP-KGLIPLIRSA-N 2 0 255.406 1.208 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)NCC[C@H]2CC[NH2+]C2)cc1 ZINC000418346620 391350362 /nfs/dbraw/zinc/35/03/62/391350362.db2.gz UVWXRROVNUOEFY-GXTWGEPZSA-N 2 0 290.411 1.505 10 0 CDAERP C[NH+](C)CCN(Cc1cccs1)C(=O)NCCC[NH3+] ZINC000418355565 391377750 /nfs/dbraw/zinc/37/77/50/391377750.db2.gz PFECGCKKADZBNG-UHFFFAOYSA-N 2 0 284.429 1.170 10 0 CDAERP C[C@H]1CC[NH2+][C@H](C(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000417821454 391487422 /nfs/dbraw/zinc/48/74/22/391487422.db2.gz ZAKPLALPWKDXLD-ZFWWWQNUSA-N 2 0 290.411 1.066 10 0 CDAERP C[C@H](NC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)C(C)(C)C[NH+](C)C ZINC000417855349 391510960 /nfs/dbraw/zinc/51/09/60/391510960.db2.gz KZOLLCPZBBWUDM-BFHYXJOUSA-N 2 0 296.459 1.356 10 0 CDAERP COCC[N@H+](C)CCC[NH2+][C@H]1COC2(CCC2)C1 ZINC000657832441 413049535 /nfs/dbraw/zinc/04/95/35/413049535.db2.gz DDGCZKNTGLBWOT-CYBMUJFWSA-N 2 0 256.390 1.256 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000417808630 391495153 /nfs/dbraw/zinc/49/51/53/391495153.db2.gz FXDWVKFZFHFNRY-MRXNPFEDSA-N 2 0 296.459 1.503 10 0 CDAERP c1ccc(CCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)nc1 ZINC000647793146 391630558 /nfs/dbraw/zinc/63/05/58/391630558.db2.gz MFYRYIVZRRYMOR-OFQRWUPVSA-N 2 0 259.397 1.992 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2COC2)[C@H](C)C1 ZINC000528025903 391583936 /nfs/dbraw/zinc/58/39/36/391583936.db2.gz PHTQBAXRXAVOOF-HIFRSBDPSA-N 2 0 270.417 1.359 10 0 CDAERP C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)C1 ZINC000417536629 391644977 /nfs/dbraw/zinc/64/49/77/391644977.db2.gz QSUFOMRLMVPOPY-ZQDZILKHSA-N 2 0 296.459 1.628 10 0 CDAERP [NH3+]CCCNC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000417653200 391719849 /nfs/dbraw/zinc/71/98/49/391719849.db2.gz QJHCFBIEHVIKLR-OAHLLOKOSA-N 2 0 290.411 1.299 10 0 CDAERP C[C@H](CCC[NH3+])[NH2+]Cc1c(Br)cnn1C ZINC000415015974 391724454 /nfs/dbraw/zinc/72/44/54/391724454.db2.gz BQVPMTHGCLBQOD-MRVPVSSYSA-N 2 0 275.194 1.400 10 0 CDAERP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@H](C)[C@H](C)[NH3+])c1ccco1 ZINC000418161416 391771468 /nfs/dbraw/zinc/77/14/68/391771468.db2.gz FGEZGNXQVNOPQR-WUHRBBMRSA-N 2 0 296.415 1.744 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418192503 391800472 /nfs/dbraw/zinc/80/04/72/391800472.db2.gz ADRPUETVDAGZJO-UONOGXRCSA-N 2 0 284.448 1.404 10 0 CDAERP CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000646010817 391900761 /nfs/dbraw/zinc/90/07/61/391900761.db2.gz OUYOMWMCGCNLIP-IHRRRGAJSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000646105732 392012620 /nfs/dbraw/zinc/01/26/20/392012620.db2.gz FOOMVLMVKLNDQN-GOEBONIOSA-N 2 0 289.423 1.847 10 0 CDAERP CC[C@H](Cn1cncn1)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000438832862 391968353 /nfs/dbraw/zinc/96/83/53/391968353.db2.gz VVTOFCMORIVALU-CYBMUJFWSA-N 2 0 265.405 1.519 10 0 CDAERP C[C@H]1CC[N@H+](CCNC(=O)[C@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000649341729 392070666 /nfs/dbraw/zinc/07/06/66/392070666.db2.gz SYLOFSLHPPBMFZ-SWLSCSKDSA-N 2 0 293.386 1.326 10 0 CDAERP CC(C)(C)[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000336786735 392059692 /nfs/dbraw/zinc/05/96/92/392059692.db2.gz JEHKHEAJIFOCQY-KBPBESRZSA-N 2 0 254.418 1.811 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CC2(O)CCCC2)CC1 ZINC000336839309 392116414 /nfs/dbraw/zinc/11/64/14/392116414.db2.gz JOZWENLRCXYOGQ-INIZCTEOSA-N 2 0 295.471 1.393 10 0 CDAERP CC[NH+](CC)CC(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000649373090 392124903 /nfs/dbraw/zinc/12/49/03/392124903.db2.gz QBHXIXCQCTUHTA-GFCCVEGCSA-N 2 0 253.390 1.119 10 0 CDAERP c1ccc(C[N@H+]2CCC[C@H](CN[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000380947050 392193408 /nfs/dbraw/zinc/19/34/08/392193408.db2.gz PIUIWOPBKTUXDZ-IAGOWNOFSA-N 2 0 273.424 1.850 10 0 CDAERP C(CN1CCOCC1)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000649415123 392198424 /nfs/dbraw/zinc/19/84/24/392198424.db2.gz LESICJTXDXGALJ-JKSUJKDBSA-N 2 0 281.444 1.173 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@H]1CCCO1 ZINC000648706882 392298720 /nfs/dbraw/zinc/29/87/20/392298720.db2.gz RENMKWVACUFEAQ-OAHLLOKOSA-N 2 0 272.352 1.844 10 0 CDAERP CC[NH+](CC)[C@H](C)CN[C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423085351 392331723 /nfs/dbraw/zinc/33/17/23/392331723.db2.gz KGVCBQYCDJOVOV-YUELXQCFSA-N 2 0 269.433 1.073 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000423103650 392346760 /nfs/dbraw/zinc/34/67/60/392346760.db2.gz XSNLJGFELJZALM-CRWXNKLISA-N 2 0 268.401 1.696 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@H](CN(C)C)c1ccc(F)cc1 ZINC000423104924 392348139 /nfs/dbraw/zinc/34/81/39/392348139.db2.gz HNTFWYDRJJDERL-HZPDHXFCSA-N 2 0 297.418 1.772 10 0 CDAERP C[C@H](NC(=O)N[C@@H]1CC[NH2+]C12CCC2)C1=CC[N@H+](C)CC1 ZINC000529319055 392322787 /nfs/dbraw/zinc/32/27/87/392322787.db2.gz BICREANYYMEXQN-GXTWGEPZSA-N 2 0 292.427 1.221 10 0 CDAERP CC(C)[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1cccnc1 ZINC000423184189 392423435 /nfs/dbraw/zinc/42/34/35/392423435.db2.gz LVLUKQHPNLXWKH-MRXNPFEDSA-N 2 0 276.428 1.664 10 0 CDAERP C(CN1CC[NH2+]CC1)[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000423211496 392448567 /nfs/dbraw/zinc/44/85/67/392448567.db2.gz YKFGQMWDYZMHGJ-BZUAXINKSA-N 2 0 281.444 1.077 10 0 CDAERP C(CC[NH+]1CCOCC1)C[NH2+]CC[C@H]1CCOC1 ZINC000438078253 392522100 /nfs/dbraw/zinc/52/21/00/392522100.db2.gz KRMLHRAHUGWVBQ-AWEZNQCLSA-N 2 0 256.390 1.115 10 0 CDAERP O=C(CC[C@@H]1CCC[NH2+]1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000645889329 392471721 /nfs/dbraw/zinc/47/17/21/392471721.db2.gz CXKKRAUCSMUICJ-LBPRGKRZSA-N 2 0 285.351 1.738 10 0 CDAERP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C1CC(F)(F)C1 ZINC000529533557 392473260 /nfs/dbraw/zinc/47/32/60/392473260.db2.gz REQKIXLCHFXERR-JQWIXIFHSA-N 2 0 262.344 1.467 10 0 CDAERP COc1cccc(NC(=O)C[C@@H](C)[NH2+]CCC[NH3+])c1 ZINC000437770164 392488654 /nfs/dbraw/zinc/48/86/54/392488654.db2.gz CFUBFFYKBPZQCB-LLVKDONJSA-N 2 0 265.357 1.351 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)[C@H]1C ZINC000423518497 392582556 /nfs/dbraw/zinc/58/25/56/392582556.db2.gz ZSIYSLDCSCZRGE-AKZYDZMLSA-N 2 0 265.445 1.837 10 0 CDAERP C[C@@H](CNC(=O)CCN(C)c1cc[nH+]cc1)C[NH+](C)C ZINC000646609299 392591861 /nfs/dbraw/zinc/59/18/61/392591861.db2.gz HGPHVVSYKWQSKB-ZDUSSCGKSA-N 2 0 278.400 1.222 10 0 CDAERP COCC[N@H+](C)CCCNCc1cc2cccnc2o1 ZINC000449079302 392630784 /nfs/dbraw/zinc/63/07/84/392630784.db2.gz OJPNOPFGRYEFCJ-UHFFFAOYSA-N 2 0 277.368 1.886 10 0 CDAERP C[C@@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)[NH+](C)C ZINC000459042123 392890522 /nfs/dbraw/zinc/89/05/22/392890522.db2.gz OPTGCUASOXDADR-AGIUHOORSA-N 2 0 270.421 1.061 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+])C1CC1 ZINC000517367720 392878970 /nfs/dbraw/zinc/87/89/70/392878970.db2.gz RBZMKWXRJQDJFX-RBSFLKMASA-N 2 0 281.444 1.741 10 0 CDAERP CC[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CC1CC1)[NH+](C)C ZINC001663503562 1172709491 /nfs/dbraw/zinc/70/94/91/1172709491.db2.gz SVOTUCKSJVYQFM-ZIAGYGMSSA-N 2 0 267.417 1.317 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+]CCCC[NH+](C)C)[C@@H]1SC ZINC000459394573 393134872 /nfs/dbraw/zinc/13/48/72/393134872.db2.gz XKWBPNGJPIHFAH-XQQFMLRXSA-N 2 0 260.447 1.827 10 0 CDAERP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(C[NH3+])cc1 ZINC000186457395 140061343 /nfs/dbraw/zinc/06/13/43/140061343.db2.gz RODVLFNMNFPFPK-WFASDCNBSA-N 2 0 275.396 1.558 10 0 CDAERP CC[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000189011777 140106288 /nfs/dbraw/zinc/10/62/88/140106288.db2.gz PMEUIAYXURBLKT-LEWSCRJBSA-N 2 0 297.349 1.264 10 0 CDAERP COc1cc(C)nc(C[NH2+]CCCC[NH+](C)C)c1 ZINC000214109966 140160419 /nfs/dbraw/zinc/16/04/19/140160419.db2.gz BMHSGBMBWXJODV-UHFFFAOYSA-N 2 0 251.374 1.830 10 0 CDAERP COCc1ccccc1C[NH2+][C@@H](CCC[NH3+])COC ZINC000234795602 140231429 /nfs/dbraw/zinc/23/14/29/140231429.db2.gz LGTXOOVISRSPEW-HNNXBMFYSA-N 2 0 266.385 1.677 10 0 CDAERP CCCn1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cn1 ZINC000261567680 140350316 /nfs/dbraw/zinc/35/03/16/140350316.db2.gz IIPPPTJFLMLIBZ-KKUMJFAQSA-N 2 0 262.401 1.852 10 0 CDAERP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)CC1CC[NH2+]CC1 ZINC000261722786 140380285 /nfs/dbraw/zinc/38/02/85/140380285.db2.gz WZDAIUYIQFEZCS-KKNUOHPOSA-N 2 0 279.428 1.398 10 0 CDAERP C[C@@H]1CN(C(=O)NCC2([NH3+])CCCCCC2)C[C@H]1[NH3+] ZINC000334937117 140594040 /nfs/dbraw/zinc/59/40/40/140594040.db2.gz UVABSUNKJAIBMU-VXGBXAGGSA-N 2 0 268.405 1.027 10 0 CDAERP CCc1cc(NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc[nH+]1 ZINC000656211644 413112426 /nfs/dbraw/zinc/11/24/26/413112426.db2.gz XBJAHBQVUQXYOY-MELADBBJSA-N 2 0 277.412 1.976 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000430881102 483364519 /nfs/dbraw/zinc/36/45/19/483364519.db2.gz YFKCXXWPUHJSCG-RQJABVFESA-N 2 0 267.417 1.493 10 0 CDAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]([NH3+])C(C)C ZINC000394235219 397809172 /nfs/dbraw/zinc/80/91/72/397809172.db2.gz OJPHMSUYWAWHSO-RDBSUJKOSA-N 2 0 267.417 1.445 10 0 CDAERP CC[NH+]1CCC(CNC(=O)CC[C@H]2CCC[NH2+]2)CC1 ZINC000389326923 397861736 /nfs/dbraw/zinc/86/17/36/397861736.db2.gz UIBVHZAKKYYNCI-CQSZACIVSA-N 2 0 267.417 1.367 10 0 CDAERP Cc1[nH+]ccc(N2CCN(CC[NH+](C)C)C(=O)C2)c1Cl ZINC000651383076 397971419 /nfs/dbraw/zinc/97/14/19/397971419.db2.gz IQRKRTYEDZWDLW-UHFFFAOYSA-N 2 0 296.802 1.254 10 0 CDAERP [NH3+][C@H]1CC[C@H](C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000097092984 147120657 /nfs/dbraw/zinc/12/06/57/147120657.db2.gz YOXASEHCAXPZNH-STQMWFEESA-N 2 0 253.390 1.106 10 0 CDAERP Cc1n[nH]cc1[C@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000658105827 413204960 /nfs/dbraw/zinc/20/49/60/413204960.db2.gz FBTRVLHSMDIJEI-STQMWFEESA-N 2 0 281.448 1.641 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CCCOC1 ZINC000658107772 413204338 /nfs/dbraw/zinc/20/43/38/413204338.db2.gz IPQHVXXSPGNMCM-UONOGXRCSA-N 2 0 257.422 1.027 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CCSC1 ZINC000658106777 413207484 /nfs/dbraw/zinc/20/74/84/413207484.db2.gz CFMFOPHHIVMOMC-QWHCGFSZSA-N 2 0 259.463 1.354 10 0 CDAERP C[C@H](NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)C(C)(C)C[NH+](C)C ZINC000176092093 148022917 /nfs/dbraw/zinc/02/29/17/148022917.db2.gz VOOHYTCFEKLZKH-UONOGXRCSA-N 2 0 296.459 1.452 10 0 CDAERP CC[NH+](CC)CCCNC(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000176137150 148024654 /nfs/dbraw/zinc/02/46/54/148024654.db2.gz ZWWXVFRYLABWFD-HNNXBMFYSA-N 2 0 298.475 1.844 10 0 CDAERP Cc1nccc(N2CCN(CCOCC3CC3)CC2)n1 ZINC000183794477 148316060 /nfs/dbraw/zinc/31/60/60/148316060.db2.gz XJYYCRYETPNYJX-UHFFFAOYSA-N 2 0 276.384 1.334 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]Cc2ccns2)C1 ZINC001664186529 1172821784 /nfs/dbraw/zinc/82/17/84/1172821784.db2.gz OCGNHWXRCLGVIM-LBPRGKRZSA-N 2 0 296.440 1.033 10 0 CDAERP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262430690 149063698 /nfs/dbraw/zinc/06/36/98/149063698.db2.gz JNHKGYWAICAIGQ-DGAVXFQQSA-N 2 0 267.417 1.541 10 0 CDAERP [NH3+]C[C@H](NC(=O)[C@H]1CC[C@H]([NH3+])C1)C1CCCCC1 ZINC000262607249 149082071 /nfs/dbraw/zinc/08/20/71/149082071.db2.gz TVUYZEJCHODMHE-AVGNSLFASA-N 2 0 253.390 1.138 10 0 CDAERP [NH3+]C[C@H](NC(=O)[C@H]1CC[C@@H]([NH3+])C1)C1CCCCC1 ZINC000262607252 149082742 /nfs/dbraw/zinc/08/27/42/149082742.db2.gz TVUYZEJCHODMHE-XQQFMLRXSA-N 2 0 253.390 1.138 10 0 CDAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000262655685 149090654 /nfs/dbraw/zinc/09/06/54/149090654.db2.gz CQCNACCRLPASJY-FZKCQIBNSA-N 2 0 293.455 1.707 10 0 CDAERP CC[C@@H](F)C[NH2+]CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001664264006 1172831316 /nfs/dbraw/zinc/83/13/16/1172831316.db2.gz FKBMTNQOYYYBHA-CQSZACIVSA-N 2 0 287.423 1.514 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000335031672 150206796 /nfs/dbraw/zinc/20/67/96/150206796.db2.gz KCMOEGILPHKHHZ-CABCVRRESA-N 2 0 293.455 1.709 10 0 CDAERP CC1=CC[N@H+](CCNC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000335186540 150384243 /nfs/dbraw/zinc/38/42/43/150384243.db2.gz KRYWBBUOPSMWPN-HUUCEWRRSA-N 2 0 292.427 1.032 10 0 CDAERP C[C@H]1C[C@H](C[NH+]2CCC([N@H+](C)CCCO)CC2)CCO1 ZINC000352619002 155307513 /nfs/dbraw/zinc/30/75/13/155307513.db2.gz XJOQXKKQPNMJTO-LSDHHAIUSA-N 2 0 284.444 1.580 10 0 CDAERP CC[C@@H]1C[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C[C@H]1O ZINC000346169680 153080732 /nfs/dbraw/zinc/08/07/32/153080732.db2.gz MOHQPTIXINXARO-CZUORRHYSA-N 2 0 286.379 1.778 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000349077425 154045494 /nfs/dbraw/zinc/04/54/94/154045494.db2.gz FBDDDVRJJHSVPZ-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)C[C@H](CNC(=O)C1([NH2+]C2CC2)CCC1)[NH+](C)C ZINC000662673904 413290591 /nfs/dbraw/zinc/29/05/91/413290591.db2.gz SEBRQWRKTIKEHC-CQSZACIVSA-N 2 0 281.444 1.754 10 0 CDAERP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C1([NH2+]C2CC2)CCC1 ZINC000662686081 413310507 /nfs/dbraw/zinc/31/05/07/413310507.db2.gz AHXHQLXYVORCMV-ZIAGYGMSSA-N 2 0 277.412 1.404 10 0 CDAERP CC[C@H]([NH3+])C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000662687551 413316148 /nfs/dbraw/zinc/31/61/48/413316148.db2.gz ZZLJJKPHQMMBOH-STQMWFEESA-N 2 0 263.341 1.023 10 0 CDAERP C[C@H]([NH2+][C@@H]1C[C@H](O)C12CCC2)C1CC[NH+](C)CC1 ZINC000658252684 413316666 /nfs/dbraw/zinc/31/66/66/413316666.db2.gz JVWRBPJROUVABB-YUTCNCBUSA-N 2 0 252.402 1.610 10 0 CDAERP C[C@H](NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)C1=CC[N@H+](C)CC1 ZINC000654522871 413389463 /nfs/dbraw/zinc/38/94/63/413389463.db2.gz GYPDSXJLSYJEPT-KCQAQPDRSA-N 2 0 294.443 1.276 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)CC1CC[NH+](C)CC1 ZINC000362727706 159224682 /nfs/dbraw/zinc/22/46/82/159224682.db2.gz XIPKSGDGGATIOA-UHFFFAOYSA-N 2 0 269.433 1.519 10 0 CDAERP [NH3+]CCCN(Cc1ccccc1)C(=O)CC1([NH3+])CC1 ZINC000662773654 413473108 /nfs/dbraw/zinc/47/31/08/413473108.db2.gz JCPXNMBTXLBOPH-UHFFFAOYSA-N 2 0 261.369 1.245 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653114241 411818946 /nfs/dbraw/zinc/81/89/46/411818946.db2.gz AYIJTNVLXSJGQZ-UONOGXRCSA-N 2 0 267.417 1.365 10 0 CDAERP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)C(=O)NC1CC1 ZINC000020308964 171143322 /nfs/dbraw/zinc/14/33/22/171143322.db2.gz YLTNZOLDEGYTRV-CHWSQXEVSA-N 2 0 269.433 1.754 10 0 CDAERP C[C@@H]1C[NH+](CCC(=O)Nc2ccc(C[NH3+])cc2)C[C@@H](C)O1 ZINC000022155451 171362129 /nfs/dbraw/zinc/36/21/29/171362129.db2.gz DIHSLKFOPDUBLE-CHWSQXEVSA-N 2 0 291.395 1.583 10 0 CDAERP C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000022155516 171362366 /nfs/dbraw/zinc/36/23/66/171362366.db2.gz VAGXNLNSMLRFPC-LBPRGKRZSA-N 2 0 261.369 1.816 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000653175886 412115016 /nfs/dbraw/zinc/11/50/16/412115016.db2.gz FBYCNFISHBKQRJ-LBPRGKRZSA-N 2 0 255.406 1.079 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000653176209 412115844 /nfs/dbraw/zinc/11/58/44/412115844.db2.gz MYCKLBIXGGWDBK-MRXNPFEDSA-N 2 0 291.439 1.651 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000653176319 412116420 /nfs/dbraw/zinc/11/64/20/412116420.db2.gz PZSWVHCWBMOMIX-CYBMUJFWSA-N 2 0 255.406 1.223 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000653176204 412116608 /nfs/dbraw/zinc/11/66/08/412116608.db2.gz MXEXDUZDVFVUEZ-AWEZNQCLSA-N 2 0 269.433 1.470 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000653176195 412116887 /nfs/dbraw/zinc/11/68/87/412116887.db2.gz MSEQFHSCJHEOHC-STQMWFEESA-N 2 0 255.406 1.079 10 0 CDAERP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]3CCCC[C@@H]3[NH2+]1)C2 ZINC000653198134 412130454 /nfs/dbraw/zinc/13/04/54/412130454.db2.gz KJSBBHRBHGVMFO-MDLJMBGESA-N 2 0 291.439 1.495 10 0 CDAERP CC[C@H]([NH2+]C)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000662776867 413481604 /nfs/dbraw/zinc/48/16/04/413481604.db2.gz PXTCUIGMXWHZSO-NSHDSACASA-N 2 0 265.332 1.408 10 0 CDAERP CN(CC[N@H+](C)C1CC1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654661729 413550242 /nfs/dbraw/zinc/55/02/42/413550242.db2.gz MKTHXWYLOIWWJS-XBXGTLAGSA-N 2 0 282.432 1.062 10 0 CDAERP c1cc([C@@H]2C[NH2+]CCO2)ccc1NC1CC[NH2+]CC1 ZINC000656793271 413674874 /nfs/dbraw/zinc/67/48/74/413674874.db2.gz SRTGXOCPTITSOZ-HNNXBMFYSA-N 2 0 261.369 1.511 10 0 CDAERP C[C@@H]1C[C@@H](C[NH2+][C@H]2Cc3ccccc3N(C)C2=O)CC[NH2+]1 ZINC000656787144 413666618 /nfs/dbraw/zinc/66/66/18/413666618.db2.gz DVVLGIYIBSNCEM-IPYPFGDCSA-N 2 0 287.407 1.552 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000664719469 413615543 /nfs/dbraw/zinc/61/55/43/413615543.db2.gz TYOCRRTYCWXZBH-UHFFFAOYSA-N 2 0 296.415 1.719 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000659485787 413877225 /nfs/dbraw/zinc/87/72/25/413877225.db2.gz CGIHBCYSMOIISR-KGLIPLIRSA-N 2 0 298.475 1.779 10 0 CDAERP CCN(C(=O)NC1CCC([NH+](C)C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000665172279 413917659 /nfs/dbraw/zinc/91/76/59/413917659.db2.gz DQXIBOVDHADVAG-NRXISQOPSA-N 2 0 296.459 1.595 10 0 CDAERP CCN(C(=O)NCCC[NH+](C)CC(C)C)[C@@H]1CC[N@H+](C)C1 ZINC000665217493 413948022 /nfs/dbraw/zinc/94/80/22/413948022.db2.gz LFIHKHBQKFMQLL-OAHLLOKOSA-N 2 0 298.475 1.700 10 0 CDAERP CCS(=O)(=O)C1(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000665275404 414009553 /nfs/dbraw/zinc/00/95/53/414009553.db2.gz KAZSFCLIICSXLJ-NEPJUHHUSA-N 2 0 274.430 1.061 10 0 CDAERP C[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@H](C)[NH3+] ZINC000659552414 413960541 /nfs/dbraw/zinc/96/05/41/413960541.db2.gz XYAVLJSERKWZTH-XQQFMLRXSA-N 2 0 282.432 1.428 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCN(C(C)(C)C)C1 ZINC000665236930 413967531 /nfs/dbraw/zinc/96/75/31/413967531.db2.gz WSEOVACZKBPXLE-STQMWFEESA-N 2 0 257.422 1.203 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2C[C@@H](C)[C@H]2C)CC1 ZINC000665288981 414024140 /nfs/dbraw/zinc/02/41/40/414024140.db2.gz CGYUDZXBJMSPSM-UMVBOHGHSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000659618460 414025492 /nfs/dbraw/zinc/02/54/92/414025492.db2.gz BTPANAWPHJGVSZ-ZNMIVQPWSA-N 2 0 296.459 1.628 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000659621853 414032342 /nfs/dbraw/zinc/03/23/42/414032342.db2.gz KMEHZDOGASAVAO-RRFJBIMHSA-N 2 0 296.459 1.486 10 0 CDAERP C[NH+](C)C[C@H]1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000665359985 414106986 /nfs/dbraw/zinc/10/69/86/414106986.db2.gz NZQAZKCUMKDJJP-KGLIPLIRSA-N 2 0 296.459 1.452 10 0 CDAERP C[C@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)Cn1ccnc1 ZINC000657333882 414169390 /nfs/dbraw/zinc/16/93/90/414169390.db2.gz CUOMOYUVSDDLSD-CQSZACIVSA-N 2 0 296.378 1.890 10 0 CDAERP C[C@@H]1C[C@@H](NCc2ccnn2-c2cc[nH+]cc2)CC[N@@H+]1C ZINC000657376152 414251479 /nfs/dbraw/zinc/25/14/79/414251479.db2.gz ORPLCWVUMHLYKA-KGLIPLIRSA-N 2 0 285.395 1.840 10 0 CDAERP C[C@H]1C[C@H](NCc2ccnn2-c2cc[nH+]cc2)CC[N@@H+]1C ZINC000657376155 414251876 /nfs/dbraw/zinc/25/18/76/414251876.db2.gz ORPLCWVUMHLYKA-UONOGXRCSA-N 2 0 285.395 1.840 10 0 CDAERP C[C@@H](O)C[C@@H](C)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657431976 414315966 /nfs/dbraw/zinc/31/59/66/414315966.db2.gz LUESXRCPDUVLBV-VXGBXAGGSA-N 2 0 260.341 1.516 10 0 CDAERP C[C@@H](N[C@H]1CCNC1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000663457359 414265937 /nfs/dbraw/zinc/26/59/37/414265937.db2.gz JUHYIWXEBFILGK-BMFZPTHFSA-N 2 0 287.407 1.375 10 0 CDAERP C[C@H](CCCO)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657392399 414277759 /nfs/dbraw/zinc/27/77/59/414277759.db2.gz QXPFZNZCTOENRJ-GFCCVEGCSA-N 2 0 260.341 1.518 10 0 CDAERP [NH3+]CC[C@H]1CCCCN1Cc1nc2c(s1)C[NH2+]CC2 ZINC000663493523 414289366 /nfs/dbraw/zinc/28/93/66/414289366.db2.gz ISUZMZDRCSMIGY-LLVKDONJSA-N 2 0 280.441 1.492 10 0 CDAERP CO[C@@H](C[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCOC1 ZINC000660003111 414343778 /nfs/dbraw/zinc/34/37/78/414343778.db2.gz DWQDOKCAJYDMQY-HOCLYGCPSA-N 2 0 291.395 1.255 10 0 CDAERP C[C@@H]1C[C@H](C)CN(CC[NH2+][C@@H]2C[C@H](O)C23CCC3)C1 ZINC000661828583 414388048 /nfs/dbraw/zinc/38/80/48/414388048.db2.gz VDKYHPGLWCQZGJ-BARDWOONSA-N 2 0 266.429 1.857 10 0 CDAERP C[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662251572 414585200 /nfs/dbraw/zinc/58/52/00/414585200.db2.gz FRFAWDTYRJYLAH-ZBFHGGJFSA-N 2 0 290.407 1.390 10 0 CDAERP CC(C)[C@@H]1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCS1 ZINC000662259235 414595881 /nfs/dbraw/zinc/59/58/81/414595881.db2.gz SPZIJZMTWCTJND-STQMWFEESA-N 2 0 270.442 1.581 10 0 CDAERP C[C@]1(F)C[NH2+]CCN(Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662272260 414605583 /nfs/dbraw/zinc/60/55/83/414605583.db2.gz DJRVILKIRKSVSF-INIZCTEOSA-N 2 0 277.387 1.466 10 0 CDAERP COC[C@H](C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+])OC ZINC000662311711 414631105 /nfs/dbraw/zinc/63/11/05/414631105.db2.gz CNLXCMJKAKFMDG-HZSPNIEDSA-N 2 0 258.406 1.487 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)[C@](C)([NH3+])CCC)CC1 ZINC000038100800 174115541 /nfs/dbraw/zinc/11/55/41/174115541.db2.gz YCLRQWCJDQZJIL-OAHLLOKOSA-N 2 0 269.433 1.837 10 0 CDAERP CC[C@H]([NH3+])[C@H](c1cccnc1)N1CC[NH+](C(C)C)CC1 ZINC000043346790 175017352 /nfs/dbraw/zinc/01/73/52/175017352.db2.gz UZMYMXLLMJNOIN-HOTGVXAUSA-N 2 0 276.428 1.886 10 0 CDAERP CCCCCNC(=O)[C@H](C)[N@H+](CCC[NH3+])CC(C)C ZINC000043417344 175038562 /nfs/dbraw/zinc/03/85/62/175038562.db2.gz PVGJEUINVJQUFA-AWEZNQCLSA-N 2 0 271.449 1.988 10 0 CDAERP CCC[NH+]1CCN(C[C@H]([NH2+]C)c2ccccc2)CC1 ZINC000043805195 175107673 /nfs/dbraw/zinc/10/76/73/175107673.db2.gz IMUNGAUYOXQIIC-INIZCTEOSA-N 2 0 261.413 1.975 10 0 CDAERP CC[NH+]1CCN([C@H]2Cc3ccccc3[C@H]2[NH2+]C)CC1 ZINC000043805791 175107736 /nfs/dbraw/zinc/10/77/36/175107736.db2.gz ZGGFTSVUWWEFHK-JKSUJKDBSA-N 2 0 259.397 1.509 10 0 CDAERP CCC[NH2+][C@@H]1CCCC[C@H]1N1CC[NH+](CC)CC1 ZINC000043806243 175108584 /nfs/dbraw/zinc/10/85/84/175108584.db2.gz FKQDTIZYJXCUDU-HUUCEWRRSA-N 2 0 253.434 1.935 10 0 CDAERP CCC[NH2+][C@H]1CCCCC[C@H]1N1CC[NH+](C)CC1 ZINC000043810951 175110264 /nfs/dbraw/zinc/11/02/64/175110264.db2.gz QLRCQJMJECRYNY-LSDHHAIUSA-N 2 0 253.434 1.935 10 0 CDAERP CCC[NH2+][C@H]1CCCC[C@@H]1N1CCC[N@H+](C)CC1 ZINC000043818589 175114157 /nfs/dbraw/zinc/11/41/57/175114157.db2.gz HAFKGAOHOLYXNA-GJZGRUSLSA-N 2 0 253.434 1.935 10 0 CDAERP CCC[NH2+][C@H]1CCC[C@@H]1N1CCC([NH+](C)C)CC1 ZINC000043897529 175120399 /nfs/dbraw/zinc/12/03/99/175120399.db2.gz QNBYFMMSWWOLLJ-GJZGRUSLSA-N 2 0 253.434 1.933 10 0 CDAERP CC[NH2+][C@H]1CCOC[C@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000043907879 175123334 /nfs/dbraw/zinc/12/33/34/175123334.db2.gz WLDSAUXGXMQHKS-DLBZAZTESA-N 2 0 295.471 1.704 10 0 CDAERP CC[NH2+][C@H]1CCC[C@@H]1N1CC[NH+](CC2CC2)CC1 ZINC000043967934 175129031 /nfs/dbraw/zinc/12/90/31/175129031.db2.gz NOOWMXAJBZRWIQ-GJZGRUSLSA-N 2 0 251.418 1.545 10 0 CDAERP CCC[NH2+][C@H]1CCOC[C@H]1N1CCC(C[NH+](C)C)CC1 ZINC000043970821 175131733 /nfs/dbraw/zinc/13/17/33/175131733.db2.gz BKQGGYYXQCMOGQ-JKSUJKDBSA-N 2 0 283.460 1.417 10 0 CDAERP C[C@]1(c2ccccc2)OC[C@H](C[NH+]2CCC(C[NH3+])CC2)O1 ZINC000044514103 175189129 /nfs/dbraw/zinc/18/91/29/175189129.db2.gz MBDAZJZAMJPIDZ-IRXDYDNUSA-N 2 0 290.407 1.945 10 0 CDAERP CCC[NH2+][C@H]1CCN(CC2CC[NH+](CC)CC2)C1=O ZINC000044518841 175191542 /nfs/dbraw/zinc/19/15/42/175191542.db2.gz HIRNJUAPNHPJTQ-AWEZNQCLSA-N 2 0 267.417 1.319 10 0 CDAERP CCC[NH2+]CC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000044651298 175224696 /nfs/dbraw/zinc/22/46/96/175224696.db2.gz NAVMGIBYZRLKGK-NSHDSACASA-N 2 0 269.414 1.467 10 0 CDAERP CC[C@H]([NH3+])c1cccc(S(=O)(=O)NC[C@H](C)[NH+](C)C)c1 ZINC000045110278 175309904 /nfs/dbraw/zinc/30/99/04/175309904.db2.gz IGZLNDVJSZXNFK-FZMZJTMJSA-N 2 0 299.440 1.325 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000045138696 175314830 /nfs/dbraw/zinc/31/48/30/175314830.db2.gz QSUTXEWUTPFJNS-AWEZNQCLSA-N 2 0 290.411 1.997 10 0 CDAERP CCOC(=O)[C@](C)(CC[NH+]1CCC(C[NH+](C)C)CC1)NC ZINC000045277110 175347780 /nfs/dbraw/zinc/34/77/80/175347780.db2.gz VYXBJFUFKRXIQE-INIZCTEOSA-N 2 0 299.459 1.191 10 0 CDAERP CC[NH+](CC)CCCC[C@](C)([NH2+]C1CC1)C(N)=O ZINC000045375881 175366636 /nfs/dbraw/zinc/36/66/36/175366636.db2.gz NXPVTZIAGMVBMA-AWEZNQCLSA-N 2 0 255.406 1.495 10 0 CDAERP CC[N@H+](CCCC[C@](C)([NH2+]C1CC1)C(N)=O)C(C)C ZINC000045383741 175370698 /nfs/dbraw/zinc/37/06/98/175370698.db2.gz SZSWBZXCYRFJEM-HNNXBMFYSA-N 2 0 269.433 1.883 10 0 CDAERP CCC[NH2+][C@@](C)(CCC[N@H+](C)C1CCCC1)C(N)=O ZINC000045384903 175372172 /nfs/dbraw/zinc/37/21/72/175372172.db2.gz OMURIIKVFFDXHG-HNNXBMFYSA-N 2 0 269.433 1.885 10 0 CDAERP CC[N@H+](CCCC[C@@](C)([NH2+]C1CC1)C(N)=O)C1CC1 ZINC000045386454 175372640 /nfs/dbraw/zinc/37/26/40/175372640.db2.gz ATPXCOCBTVCJRG-OAHLLOKOSA-N 2 0 267.417 1.637 10 0 CDAERP CCC[N@H+](CC)CCC[C@@](C)([NH2+]C(C)C)C(N)=O ZINC000045387141 175373040 /nfs/dbraw/zinc/37/30/40/175373040.db2.gz RWNPWZJKPTVFQI-CQSZACIVSA-N 2 0 257.422 1.741 10 0 CDAERP CCC[C@H]1C[C@](C[NH3+])(N2CC[C@H]([NH+]3CCCC3)C2)CCO1 ZINC000070366321 175896005 /nfs/dbraw/zinc/89/60/05/175896005.db2.gz RIFHNRLXOFWXIN-YESZJQIVSA-N 2 0 295.471 1.833 10 0 CDAERP CC(C)[NH2+][C@@H]1CCCN([C@@H]2CC[N@@H+](C3CC3)C2)C1=O ZINC000071034052 176024446 /nfs/dbraw/zinc/02/44/46/176024446.db2.gz DNGDCVLFWQMQIH-ZIAGYGMSSA-N 2 0 265.401 1.212 10 0 CDAERP CC[NH2+][C@@H]1CCN(CC[NH+](C(C)C)C(C)C)C1=O ZINC000071036163 176025633 /nfs/dbraw/zinc/02/56/33/176025633.db2.gz FWCADUQQAPLUJM-CYBMUJFWSA-N 2 0 255.406 1.316 10 0 CDAERP CCC[NH2+][C@@H]1CCCN([C@H](C)CC[NH+](C)C)C1=O ZINC000071037241 176025727 /nfs/dbraw/zinc/02/57/27/176025727.db2.gz CLEDYFRMXUKFCC-CHWSQXEVSA-N 2 0 255.406 1.317 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)N1CC[C@@H]([NH2+]C2CC2)C1=O ZINC000071037359 176025869 /nfs/dbraw/zinc/02/58/69/176025869.db2.gz SSEQKWRIHSDQOM-GXTWGEPZSA-N 2 0 265.401 1.214 10 0 CDAERP CC(C)[NH2+][C@@H]1CCN([C@H](C)C[NH+]2CCCCC2)C1=O ZINC000071037354 176026174 /nfs/dbraw/zinc/02/61/74/176026174.db2.gz ZPANOVXBHWZXRP-ZIAGYGMSSA-N 2 0 267.417 1.460 10 0 CDAERP CC[C@H]1CCC[C@H]([N@H+](C)CCN2CC[NH2+]CC2)C1 ZINC000071126411 176035912 /nfs/dbraw/zinc/03/59/12/176035912.db2.gz WUIOPLIYPBFMMI-GJZGRUSLSA-N 2 0 253.434 1.792 10 0 CDAERP CC[C@H]1CCC[C@H]([NH+]2CCN(CCC[NH3+])CC2)C1 ZINC000071147369 176043468 /nfs/dbraw/zinc/04/34/68/176043468.db2.gz USUFZAZLURZKPM-GJZGRUSLSA-N 2 0 253.434 1.922 10 0 CDAERP CC[C@H]([NH3+])[C@H](c1ccco1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071187986 176061733 /nfs/dbraw/zinc/06/17/33/176061733.db2.gz XIXURHCYCORPRV-VNHYZAJKSA-N 2 0 265.401 1.942 10 0 CDAERP CC(C)CCC[NH2+]CCN(C)C[C@H]1CC[N@H+](C)C1 ZINC000071192393 176073312 /nfs/dbraw/zinc/07/33/12/176073312.db2.gz VCJFVVPITWICOF-HNNXBMFYSA-N 2 0 255.450 1.896 10 0 CDAERP CN(C[C@H]1CC[N@H+](C)C1)C(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000071193265 176075418 /nfs/dbraw/zinc/07/54/18/176075418.db2.gz DNMNBPPIUZUZDE-IHRRRGAJSA-N 2 0 267.417 1.304 10 0 CDAERP CC(C)[NH2+][C@@H]1CCN(C[C@@H](C)C[NH+]2CCCC2)C1 ZINC000071200143 176077335 /nfs/dbraw/zinc/07/73/35/176077335.db2.gz BEOQJYOXAWBBQO-LSDHHAIUSA-N 2 0 253.434 1.791 10 0 CDAERP CC(C)[NH2+][C@H]1CCCN(CCC[NH+]2CCCC2)C1 ZINC000071200302 176077510 /nfs/dbraw/zinc/07/75/10/176077510.db2.gz OZOMOUUYLKLKBX-HNNXBMFYSA-N 2 0 253.434 1.935 10 0 CDAERP COCC[N@H+](CCC[NH3+])CCCOc1ccccc1 ZINC000071224391 176088537 /nfs/dbraw/zinc/08/85/37/176088537.db2.gz AZBQQVYGGOGGAZ-UHFFFAOYSA-N 2 0 266.385 1.753 10 0 CDAERP C[C@@H]1CCC[NH2+][C@@H]1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000071379404 176143703 /nfs/dbraw/zinc/14/37/03/176143703.db2.gz WZOSGGHGQPJOBG-OCCSQVGLSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417528236 287390089 /nfs/dbraw/zinc/39/00/89/287390089.db2.gz FFCFBGBZKMSELE-TUVASFSCSA-N 2 0 294.443 1.110 10 0 CDAERP CC[NH2+]CC1CC[NH+](CCO[C@@H]2CC2(F)F)CC1 ZINC000662244493 423779200 /nfs/dbraw/zinc/77/92/00/423779200.db2.gz HDHMVVQPKQKWPI-GFCCVEGCSA-N 2 0 262.344 1.732 10 0 CDAERP C(N[C@@H]1CC[NH2+]C12CCCC2)c1nc2c(s1)C[NH2+]CC2 ZINC000663495634 423889802 /nfs/dbraw/zinc/88/98/02/423889802.db2.gz AAESHKURBZBXME-CYBMUJFWSA-N 2 0 292.452 1.553 10 0 CDAERP CO[C@@H](C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)C1CCCCC1 ZINC000662272601 423829347 /nfs/dbraw/zinc/82/93/47/423829347.db2.gz GWTNQWKXCAPZHE-SJORKVTESA-N 2 0 295.471 1.561 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCCC1(C[NH3+])CC1 ZINC000652148307 423964211 /nfs/dbraw/zinc/96/42/11/423964211.db2.gz UUAIGBODFHTFOQ-ZIAGYGMSSA-N 2 0 296.459 1.678 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000652214366 424063976 /nfs/dbraw/zinc/06/39/76/424063976.db2.gz BQXJBXSGCOJXNS-WFASDCNBSA-N 2 0 290.411 1.203 10 0 CDAERP C[C@@H](CCC[NH3+])NC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659553102 424089590 /nfs/dbraw/zinc/08/95/90/424089590.db2.gz LHGRMEUHYXQMNK-ZFWWWQNUSA-N 2 0 296.459 1.535 10 0 CDAERP C[C@H](CCC[NH3+])NC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659553100 424089983 /nfs/dbraw/zinc/08/99/83/424089983.db2.gz LHGRMEUHYXQMNK-HIFRSBDPSA-N 2 0 296.459 1.535 10 0 CDAERP CCN(CCC[NH+]1CCCC1)C(=O)NCCC1(C[NH3+])CC1 ZINC000652236651 424114598 /nfs/dbraw/zinc/11/45/98/424114598.db2.gz UYXXZOXJZDKLPJ-UHFFFAOYSA-N 2 0 296.459 1.633 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)[C@@H]([NH3+])COC(C)C)CC1 ZINC000662472535 424118499 /nfs/dbraw/zinc/11/84/99/424118499.db2.gz ABTKWJFTJIWYBE-HNNXBMFYSA-N 2 0 299.459 1.319 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652242801 424128159 /nfs/dbraw/zinc/12/81/59/424128159.db2.gz NJOXAKMURCLEIB-UHFFFAOYSA-N 2 0 282.432 1.099 10 0 CDAERP [NH3+]C1(CNC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)CCCCCC1 ZINC000653044817 424155594 /nfs/dbraw/zinc/15/55/94/424155594.db2.gz CWVAWHQFIBEDNF-ZIAGYGMSSA-N 2 0 279.428 1.685 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000652223251 424100416 /nfs/dbraw/zinc/10/04/16/424100416.db2.gz AQEMPDXNGPYCRI-QWHCGFSZSA-N 2 0 272.437 1.389 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)C1 ZINC000660837250 424291000 /nfs/dbraw/zinc/29/10/00/424291000.db2.gz MRBPKRFBEXIMFR-STQMWFEESA-N 2 0 282.432 1.253 10 0 CDAERP CN(C(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000653117887 424302963 /nfs/dbraw/zinc/30/29/63/424302963.db2.gz YMDOCIMOHLFZIU-KFWWJZLASA-N 2 0 277.412 1.212 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662700451 424340466 /nfs/dbraw/zinc/34/04/66/424340466.db2.gz ISWQCRBLNJLBIZ-UHFFFAOYSA-N 2 0 267.417 1.496 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+][C@H]2CC[C@H](C)SC2)CC1 ZINC000655689204 424394328 /nfs/dbraw/zinc/39/43/28/424394328.db2.gz YRVIMXKISYMGIA-GJZGRUSLSA-N 2 0 285.501 1.888 10 0 CDAERP C[NH2+]CCc1ccccc1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655489132 424505240 /nfs/dbraw/zinc/50/52/40/424505240.db2.gz MJLHRTBKBLLXHW-OTVXOJSOSA-N 2 0 289.423 1.519 10 0 CDAERP CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@H](C)[NH3+] ZINC000655489627 424506590 /nfs/dbraw/zinc/50/65/90/424506590.db2.gz WVHMZSGKNBFMSH-RVMXOQNASA-N 2 0 255.406 1.062 10 0 CDAERP CCC(C)(C)[NH+]1CCN(C(=O)CC[C@@H](C)[NH3+])CC1 ZINC000655494642 424538209 /nfs/dbraw/zinc/53/82/09/424538209.db2.gz LUPNUPYLJXQOLN-GFCCVEGCSA-N 2 0 255.406 1.447 10 0 CDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCOCC(F)F)CC1 ZINC000189180733 270274767 /nfs/dbraw/zinc/27/47/67/270274767.db2.gz PMOJFHVZCYZEBP-GFCCVEGCSA-N 2 0 294.386 1.293 10 0 CDAERP CC(C)(C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])C(=O)N1CCCC1 ZINC000530223662 271166227 /nfs/dbraw/zinc/16/62/27/271166227.db2.gz OKDKAAJJMSRUKM-ZIAGYGMSSA-N 2 0 281.444 1.885 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530249820 271183738 /nfs/dbraw/zinc/18/37/38/271183738.db2.gz YZQNRTRDXJNHFX-JKSUJKDBSA-N 2 0 283.460 1.450 10 0 CDAERP C[C@@H](NC(=O)c1sccc1C[NH+](C)C)[C@H](C)[NH3+] ZINC000520818615 281057648 /nfs/dbraw/zinc/05/76/48/281057648.db2.gz VAQSZSUMKDEYBZ-DTWKUNHWSA-N 2 0 255.387 1.275 10 0 CDAERP CC(C)=CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001667999089 1173355039 /nfs/dbraw/zinc/35/50/39/1173355039.db2.gz IYIWJQGUWSXGKV-KBPBESRZSA-N 2 0 267.417 1.531 10 0 CDAERP CC[NH+](CC)CCN(CC(C)C)C(=O)NCCC[NH3+] ZINC000418314608 276098151 /nfs/dbraw/zinc/09/81/51/276098151.db2.gz SKXITVIFOGNFMG-UHFFFAOYSA-N 2 0 272.437 1.345 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000233487723 276369397 /nfs/dbraw/zinc/36/93/97/276369397.db2.gz SFGQTULMDIEJHB-OLZOCXBDSA-N 2 0 267.417 1.365 10 0 CDAERP COCC[N@H+](C)CCC[NH2+][C@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1 ZINC000424267932 277211710 /nfs/dbraw/zinc/21/17/10/277211710.db2.gz MZVQMICSFMAWNZ-PLAPLOCASA-N 2 0 284.444 1.748 10 0 CDAERP C[C@@]1(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CCCC[NH2+]1 ZINC000136206816 278118269 /nfs/dbraw/zinc/11/82/69/278118269.db2.gz RSIDEEUHGMNNPI-ZFWWWQNUSA-N 2 0 265.401 1.215 10 0 CDAERP CCCC[C@@H](C[NH3+])NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000418452328 278723972 /nfs/dbraw/zinc/72/39/72/278723972.db2.gz XJPCAKHHEGWNGM-DZGCQCFKSA-N 2 0 282.432 1.289 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)[C@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000036135344 279257675 /nfs/dbraw/zinc/25/76/75/279257675.db2.gz HHSHRDJOGQTWNB-CWRNSKLLSA-N 2 0 293.455 1.850 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000417581561 279281492 /nfs/dbraw/zinc/28/14/92/279281492.db2.gz GLKQWXOPABKVOV-ZNMIVQPWSA-N 2 0 294.443 1.397 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CCC[NH+](C)C2)C1 ZINC000108561997 279308432 /nfs/dbraw/zinc/30/84/32/279308432.db2.gz KZQHPMWADMDLNC-UONOGXRCSA-N 2 0 282.432 1.112 10 0 CDAERP CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000335721027 279336617 /nfs/dbraw/zinc/33/66/17/279336617.db2.gz JWGGXTDUGLJNEX-CYBMUJFWSA-N 2 0 267.417 1.317 10 0 CDAERP CC(C)[N@H+](C)CCCN[C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422961493 279355069 /nfs/dbraw/zinc/35/50/69/279355069.db2.gz CELHNNMDPMFCTN-HUUCEWRRSA-N 2 0 269.433 1.073 10 0 CDAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CCN(C)C(=O)C1 ZINC000424388779 279371664 /nfs/dbraw/zinc/37/16/64/279371664.db2.gz ZPPHNBHTXMZXOU-RBSFLKMASA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@@H](C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)[NH+](C)C ZINC000299151930 280082084 /nfs/dbraw/zinc/08/20/84/280082084.db2.gz YXDWJRLLQJTZJC-CVEARBPZSA-N 2 0 291.439 1.616 10 0 CDAERP CC[N@H+](CCNC(=O)N(C)[C@H]1CC[NH+](C)[C@@H](C)C1)C1CC1 ZINC000246109705 280255020 /nfs/dbraw/zinc/25/50/20/280255020.db2.gz HSBPWYBCZCGJOT-ZFWWWQNUSA-N 2 0 296.459 1.595 10 0 CDAERP CC[C@@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000341168140 280284729 /nfs/dbraw/zinc/28/47/29/280284729.db2.gz LECWLRIBKHVAAI-CQSZACIVSA-N 2 0 279.428 1.604 10 0 CDAERP CC[C@H](F)C[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001668435547 1173413335 /nfs/dbraw/zinc/41/33/35/1173413335.db2.gz JUNXKCQRTXPRFU-HZSPNIEDSA-N 2 0 287.423 1.513 10 0 CDAERP COC[C@@H](C)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000527358327 281131934 /nfs/dbraw/zinc/13/19/34/281131934.db2.gz XAGXNQMTUUKZBR-INIZCTEOSA-N 2 0 297.487 1.618 10 0 CDAERP Cc1cc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)ccn1 ZINC000527693408 281170577 /nfs/dbraw/zinc/17/05/77/281170577.db2.gz SBYIXRORJJIIMH-UHFFFAOYSA-N 2 0 290.455 1.896 10 0 CDAERP C[NH+](C)C1(CNC(=O)[C@H]2CC[C@H]([NH3+])C2)CCCCC1 ZINC000091545976 282042124 /nfs/dbraw/zinc/04/21/24/282042124.db2.gz TURZSAZXDWNCFV-STQMWFEESA-N 2 0 267.417 1.495 10 0 CDAERP C[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089457906 289105230 /nfs/dbraw/zinc/10/52/30/289105230.db2.gz BGERSDPTQWQTGL-ZIAGYGMSSA-N 2 0 267.417 1.162 10 0 CDAERP C[C@@]1(CN2CCC[C@H]2C[NH+]2CCCCC2)CC[NH2+]C1 ZINC000262104763 289164990 /nfs/dbraw/zinc/16/49/90/289164990.db2.gz VVKQUXNURTXAOZ-JKSUJKDBSA-N 2 0 265.445 1.936 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCc1ccn(C)n1 ZINC000546173893 289723125 /nfs/dbraw/zinc/72/31/25/289723125.db2.gz WJSRWBIPAZQLSH-UHFFFAOYSA-N 2 0 296.378 1.642 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000553498551 290122133 /nfs/dbraw/zinc/12/21/33/290122133.db2.gz QCXREILJNGXUBE-UONOGXRCSA-N 2 0 267.417 1.271 10 0 CDAERP C[N@@H+]1CC[C@H](N[C@@H]2C[NH2+]CCC2(F)F)[C@@H]2CCC[C@H]21 ZINC000423485487 290224601 /nfs/dbraw/zinc/22/46/01/290224601.db2.gz RSTCVEHBFADQAH-WUHRBBMRSA-N 2 0 273.371 1.446 10 0 CDAERP [NH3+]Cc1ccc(CNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cc1 ZINC000565597798 293643672 /nfs/dbraw/zinc/64/36/72/293643672.db2.gz VJKGGTOOAZAKOL-HNNXBMFYSA-N 2 0 288.395 1.181 10 0 CDAERP COCC1(CC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000565892408 293705749 /nfs/dbraw/zinc/70/57/49/293705749.db2.gz GMWBMYMQULHIOR-RBSFLKMASA-N 2 0 282.428 1.550 10 0 CDAERP CCOC(=O)[C@H]1CCCN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000568401366 294030417 /nfs/dbraw/zinc/03/04/17/294030417.db2.gz MNHDDLAKXIXYFJ-MRXNPFEDSA-N 2 0 288.391 1.860 10 0 CDAERP C[C@H]1[NH2+]CC[C@H]1C(=O)N(CC[NH3+])CCc1ccccc1 ZINC000571626071 294472425 /nfs/dbraw/zinc/47/24/25/294472425.db2.gz QDIXTIIYMOCALL-UKRRQHHQSA-N 2 0 275.396 1.014 10 0 CDAERP CC(C)[C@H](C(=O)N1C[C@@H]([NH3+])Cc2ccccc21)[C@@H](C)[NH3+] ZINC000574512049 295010353 /nfs/dbraw/zinc/01/03/53/295010353.db2.gz HTONWTMPGRFTTM-ZLDLUXBVSA-N 2 0 275.396 1.522 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000574861956 295064962 /nfs/dbraw/zinc/06/49/62/295064962.db2.gz OZNCIYNMICEKJN-YUELXQCFSA-N 2 0 275.396 1.581 10 0 CDAERP [NH3+][C@H]1CCC[C@@H](C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000070575360 295335772 /nfs/dbraw/zinc/33/57/72/295335772.db2.gz BYIQVKQSLFPUBS-NEPJUHHUSA-N 2 0 265.401 1.247 10 0 CDAERP COc1ccccc1/C=C\C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000344548467 295348158 /nfs/dbraw/zinc/34/81/58/295348158.db2.gz JTXAOZQCJVWORY-ALCCZGGFSA-N 2 0 290.407 1.755 10 0 CDAERP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NCCC[NH3+])C1 ZINC000417226320 297227293 /nfs/dbraw/zinc/22/72/93/297227293.db2.gz ZRSHLBXVMPSAAO-CHWSQXEVSA-N 2 0 284.448 1.391 10 0 CDAERP C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)C1 ZINC000334494837 298981648 /nfs/dbraw/zinc/98/16/48/298981648.db2.gz KVOAKAOHKTVBPM-BLLLJJGKSA-N 2 0 287.407 1.184 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)CC[NH2+]1 ZINC000377741003 300397986 /nfs/dbraw/zinc/39/79/86/300397986.db2.gz IVMVKTBRUKZOJN-QEJZJMRPSA-N 2 0 279.428 1.223 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC[N@@H+]1C ZINC000366814045 300399218 /nfs/dbraw/zinc/39/92/18/300399218.db2.gz XUVLFSIXRRYOPA-JYJNAYRXSA-N 2 0 293.455 1.804 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)CC[NH2+]1 ZINC000369093939 300399481 /nfs/dbraw/zinc/39/94/81/300399481.db2.gz YGOHWIYPBVKDRE-AJNGGQMLSA-N 2 0 279.428 1.365 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC[NH2+]1 ZINC000262317370 300399519 /nfs/dbraw/zinc/39/95/19/300399519.db2.gz CCYSWQWXFLYHOR-JYJNAYRXSA-N 2 0 293.455 1.851 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001671673954 1173702145 /nfs/dbraw/zinc/70/21/45/1173702145.db2.gz LUNRHPCATGRVOL-HNNXBMFYSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccccc1CC[NH3+] ZINC000563336150 316254877 /nfs/dbraw/zinc/25/48/77/316254877.db2.gz JECMWHYWIBVWEY-FZMZJTMJSA-N 2 0 261.369 1.058 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)C1 ZINC000563727847 316363239 /nfs/dbraw/zinc/36/32/39/316363239.db2.gz ZRBOSBSRVJFQPC-GDBMZVCRSA-N 2 0 293.455 1.519 10 0 CDAERP C[NH2+]CCCC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000563959048 316406260 /nfs/dbraw/zinc/40/62/60/316406260.db2.gz CZXAQGZOXJNWAH-AWEZNQCLSA-N 2 0 261.369 1.071 10 0 CDAERP CC[NH+](CC)CC(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000575747945 317006471 /nfs/dbraw/zinc/00/64/71/317006471.db2.gz DCNHBGGGAGPSHZ-GJZGRUSLSA-N 2 0 297.443 1.073 10 0 CDAERP CC(C)[NH2+]CCC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000575921231 317039356 /nfs/dbraw/zinc/03/93/56/317039356.db2.gz MHEPJLQIAAQGII-UHFFFAOYSA-N 2 0 267.417 1.508 10 0 CDAERP CN(C(=O)[C@H]1CC12CC[NH2+]CC2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000577061448 317258341 /nfs/dbraw/zinc/25/83/41/317258341.db2.gz PGCZILZSYMAKNM-QNMSZWNNSA-N 2 0 277.412 1.118 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000577219874 317288147 /nfs/dbraw/zinc/28/81/47/317288147.db2.gz GTFBAIHULSWUFX-ILXRZTDVSA-N 2 0 279.428 1.604 10 0 CDAERP CC[C@H](C)C[NH2+]CC[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001672909385 1173808798 /nfs/dbraw/zinc/80/87/98/1173808798.db2.gz FLURIACALLDTFW-JKSUJKDBSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)[NH2+]CCC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000579829434 324292960 /nfs/dbraw/zinc/29/29/60/324292960.db2.gz JNEAMTJHFTYCLZ-CHWSQXEVSA-N 2 0 255.406 1.316 10 0 CDAERP CSC[C@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000579943164 324320620 /nfs/dbraw/zinc/32/06/20/324320620.db2.gz DPFRHRGQSGBTIO-PSEXLTFBSA-N 2 0 258.431 1.315 10 0 CDAERP CC[C@@H](Cn1cncn1)[NH2+]CC1CC[NH+](CC)CC1 ZINC000580011210 324340530 /nfs/dbraw/zinc/34/05/30/324340530.db2.gz VSGIEROEEPIXGF-AWEZNQCLSA-N 2 0 265.405 1.378 10 0 CDAERP C[C@H]([NH2+]CC(C)(C)N1CCOCC1)[C@H]1CCC[NH2+]C1 ZINC000582295357 324947425 /nfs/dbraw/zinc/94/74/25/324947425.db2.gz CKDMWIKORIECBA-KBPBESRZSA-N 2 0 269.433 1.075 10 0 CDAERP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)COCC)CC1 ZINC000584168021 327055339 /nfs/dbraw/zinc/05/53/39/327055339.db2.gz PDBWCMDUSUTRLE-CQSZACIVSA-N 2 0 258.406 1.095 10 0 CDAERP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccccc1-n1ccnn1 ZINC000584226275 327068715 /nfs/dbraw/zinc/06/87/15/327068715.db2.gz JJVYYKPXIKWAND-IPYPFGDCSA-N 2 0 285.395 1.916 10 0 CDAERP C[NH+]1CCC(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000250572068 1159266316 /nfs/dbraw/zinc/26/63/16/1159266316.db2.gz DYZVRZNWRXJNQI-CFVMTHIKSA-N 2 0 279.428 1.508 10 0 CDAERP C[NH+](C)CC1(C(=O)N2CC[C@H](C[NH2+]C/C=C/Cl)C2)CC1 ZINC001731667146 1159323916 /nfs/dbraw/zinc/32/39/16/1159323916.db2.gz JQRVRYZNAQZJNB-LPZVBRGNSA-N 2 0 299.846 1.519 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CC[NH2+]CCC2CC2)C1 ZINC001267416080 1159374091 /nfs/dbraw/zinc/37/40/91/1159374091.db2.gz BWPXZRZHCCNBAF-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP CN(CC[NH2+]CC1CCC1)C(=O)C1([NH+](C)C)CCC1 ZINC001481239026 1159590359 /nfs/dbraw/zinc/59/03/59/1159590359.db2.gz JDGNJBWMWUNPFE-UHFFFAOYSA-N 2 0 267.417 1.319 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC/C=C/C[NH2+]CCF)C1 ZINC001268612908 1159999898 /nfs/dbraw/zinc/99/98/98/1159999898.db2.gz JWIRBDFFLJLZGE-PUWCWTCHSA-N 2 0 285.407 1.338 10 0 CDAERP CC(C)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001482476853 1160296812 /nfs/dbraw/zinc/29/68/12/1160296812.db2.gz YEWYCUOKMWZKPF-HUUCEWRRSA-N 2 0 283.460 1.811 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000246209692 482285125 /nfs/dbraw/zinc/28/51/25/482285125.db2.gz FTAZDMCNEWTPIZ-AEGPPILISA-N 2 0 273.380 1.117 10 0 CDAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000668302179 482362052 /nfs/dbraw/zinc/36/20/52/482362052.db2.gz AZXMTUGPRIORFL-KFWWJZLASA-N 2 0 281.444 1.374 10 0 CDAERP C[C@@H](CO)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000678043476 482391483 /nfs/dbraw/zinc/39/14/83/482391483.db2.gz AGFVXRSMFFIELW-CQSZACIVSA-N 2 0 270.417 1.049 10 0 CDAERP [NH3+]CC1(CCNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000652132716 482444477 /nfs/dbraw/zinc/44/44/77/482444477.db2.gz UCGQZCISRGTBGR-STQMWFEESA-N 2 0 280.416 1.041 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000227391322 482452034 /nfs/dbraw/zinc/45/20/34/482452034.db2.gz OJWPLCCDDLIHGU-ZNMIVQPWSA-N 2 0 279.428 1.448 10 0 CDAERP CC(C)[N@H+](C)CC1CCN(C(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000054308246 482549863 /nfs/dbraw/zinc/54/98/63/482549863.db2.gz UUSKEZINVKVBSM-MRXNPFEDSA-N 2 0 295.471 1.955 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417306047 482581766 /nfs/dbraw/zinc/58/17/66/482581766.db2.gz YXAFLKKSDWZWHG-RDGKXADDSA-N 2 0 296.459 1.641 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000092629926 482630452 /nfs/dbraw/zinc/63/04/52/482630452.db2.gz JFVKARPHGUGZFL-XQQFMLRXSA-N 2 0 253.390 1.057 10 0 CDAERP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CCC(=O)N1 ZINC000093516612 482718131 /nfs/dbraw/zinc/71/81/31/482718131.db2.gz CBJHXHSUKTVXEC-XQQFMLRXSA-N 2 0 253.390 1.165 10 0 CDAERP CCN1CC[NH+](CCCC[NH2+][C@H]2CCC[C@H](OC)C2)CC1 ZINC000684368619 482776675 /nfs/dbraw/zinc/77/66/75/482776675.db2.gz BWYYGSCPCURPEB-IRXDYDNUSA-N 2 0 297.487 1.951 10 0 CDAERP CC[C@H]([NH2+][C@@H](CCC[NH3+])COC)[C@H]1CCCCO1 ZINC000656201241 482791546 /nfs/dbraw/zinc/79/15/46/482791546.db2.gz LKIVUJDZMZIQGZ-MELADBBJSA-N 2 0 258.406 1.678 10 0 CDAERP C[NH+](C)C[C@H](NC(=O)c1ccc(C[NH3+])o1)c1ccccc1 ZINC000094570120 482794830 /nfs/dbraw/zinc/79/48/30/482794830.db2.gz UXVYXZFDEYMGNN-AWEZNQCLSA-N 2 0 287.363 1.771 10 0 CDAERP CC(C)[C@H](C[NH2+][C@@H]1CN(C)C[C@H]1C)c1ccnn1C ZINC000682617879 482848830 /nfs/dbraw/zinc/84/88/30/482848830.db2.gz ZVYSTTNFQSPMJQ-HZSPNIEDSA-N 2 0 264.417 1.699 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)N(CCC[NH3+])CC2CCCC2)C1 ZINC000669403236 482886337 /nfs/dbraw/zinc/88/63/37/482886337.db2.gz PMUBLPYHLSDHAG-HNNXBMFYSA-N 2 0 296.459 1.631 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)NCC2([NH3+])CCCCC2)C1 ZINC000669403227 482887234 /nfs/dbraw/zinc/88/72/34/482887234.db2.gz OZJXOVPANJCZAH-LBPRGKRZSA-N 2 0 268.405 1.041 10 0 CDAERP COCCC[NH+]1CCC([NH2+][C@@H]2COC3(CCC3)C2)CC1 ZINC000657866819 482905908 /nfs/dbraw/zinc/90/59/08/482905908.db2.gz NPGGKXGLGPVVAH-HNNXBMFYSA-N 2 0 282.428 1.789 10 0 CDAERP CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@H]([NH3+])C(C)C ZINC000136299003 482907885 /nfs/dbraw/zinc/90/78/85/482907885.db2.gz DYMYFFWQEYXVII-KBPBESRZSA-N 2 0 271.449 1.987 10 0 CDAERP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CCC(C)(C)[NH3+] ZINC000251902754 483088285 /nfs/dbraw/zinc/08/82/85/483088285.db2.gz WNWGNTFPLPVHDQ-STQMWFEESA-N 2 0 267.417 1.589 10 0 CDAERP O=C(C[C@@H]1CCC[NH2+]C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000054291117 483129824 /nfs/dbraw/zinc/12/98/24/483129824.db2.gz MIVAQAFTXRBXSV-HNNXBMFYSA-N 2 0 293.455 1.853 10 0 CDAERP COC(C)(C)CC[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000682530116 483272686 /nfs/dbraw/zinc/27/26/86/483272686.db2.gz VSVFHEACKCMRJD-HNNXBMFYSA-N 2 0 283.460 1.513 10 0 CDAERP CN(CCN1CCCC1=O)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667618330 483354875 /nfs/dbraw/zinc/35/48/75/483354875.db2.gz UTONMHPNANRDLE-UHFFFAOYSA-N 2 0 299.378 1.322 10 0 CDAERP CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000675893192 483377843 /nfs/dbraw/zinc/37/78/43/483377843.db2.gz AGEGCUPQOCCIRW-TZMCWYRMSA-N 2 0 267.417 1.495 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000136457078 483405230 /nfs/dbraw/zinc/40/52/30/483405230.db2.gz DMSHZHMFUMVRNK-STQMWFEESA-N 2 0 255.406 1.208 10 0 CDAERP CC(C)[C@H](C[NH2+][C@H]1CO[C@H](C2CC2)C1)N1CC[NH+](C)CC1 ZINC000667777135 483420707 /nfs/dbraw/zinc/42/07/07/483420707.db2.gz OGVUCJCWDXKVSI-IKGGRYGDSA-N 2 0 295.471 1.416 10 0 CDAERP CC(C)[C@@H]1CC[C@@H]([NH3+])[C@H](N2CC[C@H]([NH+](C)C)C2)C1 ZINC000062965179 519803427 /nfs/dbraw/zinc/80/34/27/519803427.db2.gz WVZBAYLTVRAHSD-LXTVHRRPSA-N 2 0 253.434 1.774 10 0 CDAERP CC(C)[C@H](CN(C)C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C)C1 ZINC000049197543 519814870 /nfs/dbraw/zinc/81/48/70/519814870.db2.gz VWSVAOHISRIQHZ-KFWWJZLASA-N 2 0 255.450 1.893 10 0 CDAERP CCC[NH+]1CCN(C[C@H]2CC[C@@H](C[NH2+]C(C)C)O2)CC1 ZINC000052422035 519858666 /nfs/dbraw/zinc/85/86/66/519858666.db2.gz REAJWUVKMDRRCR-JKSUJKDBSA-N 2 0 283.460 1.560 10 0 CDAERP CC[NH2+]CCC(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000061294614 519915131 /nfs/dbraw/zinc/91/51/31/519915131.db2.gz DRZZETZITWGNMG-UHFFFAOYSA-N 2 0 255.406 1.317 10 0 CDAERP CCC[NH2+][C@@](C)(C[C@@H](C)[NH+]1CCC(OCC)CC1)C(N)=O ZINC000068628286 520040791 /nfs/dbraw/zinc/04/07/91/520040791.db2.gz MWYUEQDZPKOUQI-CJNGLKHVSA-N 2 0 299.459 1.510 10 0 CDAERP CCC[NH2+][C@](C)(CCC[NH+]1CCC(COC)CC1)C(N)=O ZINC000069507460 520104501 /nfs/dbraw/zinc/10/45/01/520104501.db2.gz GTDXJHRDQHAERT-MRXNPFEDSA-N 2 0 299.459 1.369 10 0 CDAERP CCC[NH2+][C@](C)(C[C@@H](C)[NH+]1CCC(COC)CC1)C(N)=O ZINC000068647734 520112400 /nfs/dbraw/zinc/11/24/00/520112400.db2.gz VLUCTXZUNADNMG-CZUORRHYSA-N 2 0 299.459 1.367 10 0 CDAERP CC[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001733100009 1161499807 /nfs/dbraw/zinc/49/98/07/1161499807.db2.gz WSYZMGOPPSYOLZ-CYBMUJFWSA-N 2 0 255.406 1.317 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000061652409 521837215 /nfs/dbraw/zinc/83/72/15/521837215.db2.gz ZZXKPXUFOQDYAD-VGWMRTNUSA-N 2 0 265.445 1.933 10 0 CDAERP C[NH2+]C(C)(C)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000061317669 521933083 /nfs/dbraw/zinc/93/30/83/521933083.db2.gz BOTGMFQSGFXBOA-LBPRGKRZSA-N 2 0 253.390 1.071 10 0 CDAERP C[NH2+]Cc1nc(CN2CC[NH+](C(C)(C)C)CC2)cs1 ZINC000052571544 522151844 /nfs/dbraw/zinc/15/18/44/522151844.db2.gz OOSOMURYDVMMBG-UHFFFAOYSA-N 2 0 282.457 1.779 10 0 CDAERP C[C@@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CCCF ZINC001717751649 1180830099 /nfs/dbraw/zinc/83/00/99/1180830099.db2.gz YTNVDVHPNOTHDG-QWHCGFSZSA-N 2 0 273.396 1.124 10 0 CDAERP C[NH2+][C@H](CCN1CCN(CC[NH+](C)C)CC1)C(C)(C)C ZINC000061653796 522457908 /nfs/dbraw/zinc/45/79/08/522457908.db2.gz BGNXCNNJMOYQNR-OAHLLOKOSA-N 2 0 284.492 1.190 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CCCCCC[NH3+] ZINC000092629865 535585059 /nfs/dbraw/zinc/58/50/59/535585059.db2.gz NBTAZRJGKWHXNJ-AWEZNQCLSA-N 2 0 269.433 1.838 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCCF ZINC001732424474 1182960016 /nfs/dbraw/zinc/96/00/16/1182960016.db2.gz ZSBGJNHHUCQSNX-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)[N@@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001733300753 1183385100 /nfs/dbraw/zinc/38/51/00/1183385100.db2.gz QKAYWEQBDPAMNT-OAHLLOKOSA-N 2 0 267.417 1.271 10 0 CDAERP CC(C)[NH+]1CCN(C(=O)[C@H]2CCC[C@H](C[NH3+])C2)CC1 ZINC000055147723 519680338 /nfs/dbraw/zinc/68/03/38/519680338.db2.gz CIBVHKVMSSZNMV-KBPBESRZSA-N 2 0 267.417 1.304 10 0 CDAERP CC(C)[NH+]1CCN([C@@H](C[NH3+])CCc2ccccc2)CC1 ZINC000061624688 519683199 /nfs/dbraw/zinc/68/31/99/519683199.db2.gz TYODZVZFJKDEEV-QGZVFWFLSA-N 2 0 275.440 1.973 10 0 CDAERP CC(C)[N@@H+]1CC[C@](C[NH3+])(N(C)[C@@H]2CCSC2)C1 ZINC000045658561 519690292 /nfs/dbraw/zinc/69/02/92/519690292.db2.gz ZXFCUDDRUZMIKB-CHWSQXEVSA-N 2 0 257.447 1.235 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)[C@@H]1[C@H](C)CCC[C@@H]1[NH3+] ZINC000055134769 519716493 /nfs/dbraw/zinc/71/64/93/519716493.db2.gz OBWKAQVEWKFYAD-QLFBSQMISA-N 2 0 283.460 1.796 10 0 CDAERP CC(C)CN(CC[NH+](C)C)Cc1cccnc1C(N)=[NH2+] ZINC000061658304 519716817 /nfs/dbraw/zinc/71/68/17/519716817.db2.gz VSEWVVAEUVSDLB-UHFFFAOYSA-N 2 0 277.416 1.385 10 0 CDAERP CC(C)[NH2+]CC1(C[N@H+](CCCO)C(C)C)CCOCC1 ZINC000052198091 519719519 /nfs/dbraw/zinc/71/95/19/519719519.db2.gz DOCCNWJERSNIJU-UHFFFAOYSA-N 2 0 286.460 1.874 10 0 CDAERP CC(C)C[NH+]1CCN([C@H](C)CC[NH2+]C2CC2)CC1 ZINC000055083104 519727821 /nfs/dbraw/zinc/72/78/21/519727821.db2.gz YXAVKYBUUZKJQQ-CQSZACIVSA-N 2 0 253.434 1.791 10 0 CDAERP CC(C)C[NH+]1CCN(c2nc3ccccn3c2C[NH3+])CC1 ZINC000055080304 519729050 /nfs/dbraw/zinc/72/90/50/519729050.db2.gz DDXJJKIKKNRIRZ-UHFFFAOYSA-N 2 0 287.411 1.571 10 0 CDAERP CC(C)C[NH2+]CC[C@@H](C)N1CCN(CC[NH+](C)C)CC1 ZINC000061655030 519744045 /nfs/dbraw/zinc/74/40/45/519744045.db2.gz JMJFPUDBBONDHO-MRXNPFEDSA-N 2 0 284.492 1.190 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)CN1CC[NH+](C2CC2)CC1 ZINC000052371282 519744520 /nfs/dbraw/zinc/74/45/20/519744520.db2.gz ZKGJAXAFOIROGW-CQSZACIVSA-N 2 0 253.434 1.648 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CC[C@@H](CN2CCC([NH+](C)C)CC2)O1 ZINC000052477819 519746440 /nfs/dbraw/zinc/74/64/40/519746440.db2.gz ZTNKKMMNVWAAEY-SJORKVTESA-N 2 0 297.487 1.806 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H]1C[C@@H]([NH3+])CC[C@@H]1C ZINC000055138081 519775339 /nfs/dbraw/zinc/77/53/39/519775339.db2.gz JGVZVHNYCRNYTI-AJNGGQMLSA-N 2 0 283.460 1.842 10 0 CDAERP CCC[NH+]1CCC(C[NH3+])(N(C)C[C@H]2CCCCO2)CC1 ZINC000048947451 519842326 /nfs/dbraw/zinc/84/23/26/519842326.db2.gz TYVBGXAZXDVSAN-OAHLLOKOSA-N 2 0 283.460 1.691 10 0 CDAERP CCC[NH+]1CCC(NC(=O)C[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000055141547 519844877 /nfs/dbraw/zinc/84/48/77/519844877.db2.gz IKCPQRXGJKYWNY-KGLIPLIRSA-N 2 0 281.444 1.885 10 0 CDAERP CCC[NH+]1CCN(c2ncc(C[NH2+]C)s2)CC1 ZINC000054899154 519860708 /nfs/dbraw/zinc/86/07/08/519860708.db2.gz HQRURCPISHCZJJ-UHFFFAOYSA-N 2 0 254.403 1.395 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@H](C[NH+]2CCC(OC)CC2)O1 ZINC000052455405 519955964 /nfs/dbraw/zinc/95/59/64/519955964.db2.gz VJEHXYWFBORKQJ-UONOGXRCSA-N 2 0 256.390 1.254 10 0 CDAERP CC[NH2+]C[C@H]1CCN([C@@H](C)C[NH+]2CCCCC2)C1 ZINC000053032009 519975950 /nfs/dbraw/zinc/97/59/50/519975950.db2.gz GMYBTAMFLJLNEG-LSDHHAIUSA-N 2 0 253.434 1.792 10 0 CDAERP CC[NH2+]Cc1ccoc1C[N@H+](CCOC)[C@H](C)COC ZINC000052572315 520010908 /nfs/dbraw/zinc/01/09/08/520010908.db2.gz ZRHYKQJQQAJJTH-CYBMUJFWSA-N 2 0 284.400 1.872 10 0 CDAERP CC[NH2+]Cc1cn(CC[N@@H+]2CCCC[C@@H]2CC)nn1 ZINC000052447620 520014386 /nfs/dbraw/zinc/01/43/86/520014386.db2.gz RGFMAAYCRKPFGK-AWEZNQCLSA-N 2 0 265.405 1.652 10 0 CDAERP CCC[NH2+][C@H](C)CCCC[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061643816 520062642 /nfs/dbraw/zinc/06/26/42/520062642.db2.gz LTZFLCQRKYHUTA-QGZVFWFLSA-N 3 0 298.519 1.724 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)NCC1CC[NH+](CC)CC1 ZINC000061274355 520062921 /nfs/dbraw/zinc/06/29/21/520062921.db2.gz ZSXSVPXXBXZVDM-LBPRGKRZSA-N 2 0 255.406 1.223 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000061272792 520163727 /nfs/dbraw/zinc/16/37/27/520163727.db2.gz JXXLQCFZBFTDCS-GFCCVEGCSA-N 2 0 255.406 1.175 10 0 CDAERP CC[NH2+][C@@](CO)(CN(C)CC1CC[NH+](C)CC1)C1CC1 ZINC000070336764 520153643 /nfs/dbraw/zinc/15/36/43/520153643.db2.gz MTZYABRRKCJGCA-MRXNPFEDSA-N 2 0 283.460 1.011 10 0 CDAERP CC[NH2+][C@](C)(CCC[N@H+](C)C(C)(C)CC)C(N)=O ZINC000069446686 520227401 /nfs/dbraw/zinc/22/74/01/520227401.db2.gz MPCCDIJXMMKOBL-CQSZACIVSA-N 2 0 257.422 1.741 10 0 CDAERP CC[NH+](CC)C1CCN(C(=O)CC[C@H](C)[NH3+])CC1 ZINC000070317043 520568712 /nfs/dbraw/zinc/56/87/12/520568712.db2.gz KHBUHBWPOYMCRQ-LBPRGKRZSA-N 2 0 255.406 1.447 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)CC[C@H](C)[NH3+])CC1 ZINC000070315137 520570464 /nfs/dbraw/zinc/57/04/64/520570464.db2.gz XEMICXXOBUWXKG-LBPRGKRZSA-N 2 0 255.406 1.495 10 0 CDAERP CC[NH+](CC)CC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000068115920 520579831 /nfs/dbraw/zinc/57/98/31/520579831.db2.gz APURODUBPLESIN-MRXNPFEDSA-N 2 0 291.439 1.617 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@@H]1CCC[C@@H](CC[NH3+])C1 ZINC000055145727 520615703 /nfs/dbraw/zinc/61/57/03/520615703.db2.gz WSMNVIMVIOWJOJ-LSDHHAIUSA-N 2 0 283.460 1.990 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)C2(C)CC[NH2+]CC2)C1 ZINC000062972557 520841024 /nfs/dbraw/zinc/84/10/24/520841024.db2.gz FXKTYGGIDLHYOF-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP CCC[C@](C)(C[NH2+]C)CN1CCN(CC[NH+](C)C)CC1 ZINC000061653727 521267329 /nfs/dbraw/zinc/26/73/29/521267329.db2.gz JSXAXDMZHDVVEY-MRXNPFEDSA-N 2 0 284.492 1.191 10 0 CDAERP CC[NH+]1CCC(N(C)Cc2csc(C[NH2+]C)n2)CC1 ZINC000052543915 521563398 /nfs/dbraw/zinc/56/33/98/521563398.db2.gz DZJPLGKFEQQVDI-UHFFFAOYSA-N 2 0 282.457 1.779 10 0 CDAERP CCC[NH+](CCC)CCn1cc(C[NH2+]C(C)C)nn1 ZINC000052416791 521648346 /nfs/dbraw/zinc/64/83/46/521648346.db2.gz NYEKODNIBNRPIV-UHFFFAOYSA-N 2 0 267.421 1.898 10 0 CDAERP CCCN(CC[NH+](C)C)Cc1occc1C[NH2+]C ZINC000052544164 521658161 /nfs/dbraw/zinc/65/81/61/521658161.db2.gz NUVBDHKRYHHPTQ-UHFFFAOYSA-N 2 0 253.390 1.773 10 0 CDAERP CCCN(CC[NH+](C)C)Cc1csc(C[NH2+]C)n1 ZINC000052544089 521658109 /nfs/dbraw/zinc/65/81/09/521658109.db2.gz YXKLKRLETNVSDB-UHFFFAOYSA-N 2 0 270.446 1.636 10 0 CDAERP CCOCCCC[NH2+]CCN1CCC[C@H]1C[NH+](C)C ZINC000061655050 521703595 /nfs/dbraw/zinc/70/35/95/521703595.db2.gz HOCODBYFNWIGCM-HNNXBMFYSA-N 2 0 271.449 1.419 10 0 CDAERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)C(C)(C)n2cncn2)C1 ZINC000353429637 521717977 /nfs/dbraw/zinc/71/79/77/521717977.db2.gz URMAMKUKEMJLSX-QWHCGFSZSA-N 2 0 265.405 1.333 10 0 CDAERP C[NH+](C)CCOC[C@H]1CC[C@H](C[NH2+]C(C)(C)C)O1 ZINC000052669876 521795869 /nfs/dbraw/zinc/79/58/69/521795869.db2.gz MJJRPJYQJDYXTG-CHWSQXEVSA-N 2 0 258.406 1.500 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1[C@@H](C[NH3+])c1c(F)cccc1F ZINC000061643094 521843308 /nfs/dbraw/zinc/84/33/08/521843308.db2.gz NGDAKJLLQYIHKK-FZMZJTMJSA-N 2 0 283.366 1.991 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]([NH3+])c1ccccc1 ZINC000061644886 521864262 /nfs/dbraw/zinc/86/42/62/521864262.db2.gz LKMYJKFTDSHPKT-ZIAGYGMSSA-N 2 0 261.369 1.239 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1Cc1csc(C[NH3+])n1 ZINC000061654599 521871228 /nfs/dbraw/zinc/87/12/28/521871228.db2.gz YCPWRKACJHEAGM-LLVKDONJSA-N 2 0 254.403 1.128 10 0 CDAERP C[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)CCc2ccncc2)O1 ZINC000052483143 522092725 /nfs/dbraw/zinc/09/27/25/522092725.db2.gz QKYDCBRQWWDHSX-CABCVRRESA-N 2 0 263.385 1.323 10 0 CDAERP C[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2cccc(OC)c2)O1 ZINC000052372962 522093806 /nfs/dbraw/zinc/09/38/06/522093806.db2.gz WRZRBDLAHLFINT-CVEARBPZSA-N 2 0 278.396 1.894 10 0 CDAERP C[NH2+]Cc1ccc(C[N@H+](CCOC)[C@@H](C)COC)cc1 ZINC000052572423 522118284 /nfs/dbraw/zinc/11/82/84/522118284.db2.gz YWCBMQMSIFVUPP-AWEZNQCLSA-N 2 0 280.412 1.889 10 0 CDAERP C[NH2+]Cc1sc(N(C)[C@H]2CCC[N@H+](C)C2)nc1C ZINC000054998282 522167998 /nfs/dbraw/zinc/16/79/98/522167998.db2.gz HMBKEWBDNXPNDB-NSHDSACASA-N 2 0 268.430 1.701 10 0 CDAERP C[NH2+][C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000062983082 522378612 /nfs/dbraw/zinc/37/86/12/522378612.db2.gz RWGGBEQWOGHFLX-OWCLPIDISA-N 2 0 281.444 1.171 10 0 CDAERP CCc1nc(N2CC[NH+](CC3CC3)CC2)sc1C[NH3+] ZINC000055002447 522385490 /nfs/dbraw/zinc/38/54/90/522385490.db2.gz PBDGVOGNCJXEEC-UHFFFAOYSA-N 2 0 280.441 1.696 10 0 CDAERP C[NH2+][C@H](C)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000052395812 522437727 /nfs/dbraw/zinc/43/77/27/522437727.db2.gz BFYUWCQXHLPNMA-CQSZACIVSA-N 2 0 281.444 1.899 10 0 CDAERP C[NH2+][C@](C)(CO)C[C@@H](C)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000070337600 522517907 /nfs/dbraw/zinc/51/79/07/522517907.db2.gz GORTVBGPNPZNLC-PMPSAXMXSA-N 2 0 283.460 1.296 10 0 CDAERP CC[C@H]1CC[C@H](C[NH3+])[C@H]([NH+]2CCN(CC[NH+](C)C)CC2)C1 ZINC000061642686 523206846 /nfs/dbraw/zinc/20/68/46/523206846.db2.gz LPJZUVMHGZMRNB-GVDBMIGSSA-N 3 0 296.503 1.319 10 0 CDAERP COCCC[NH2+]C[C@H](C)N(C)CC[NH+]1CCCC1 ZINC000063054254 523374399 /nfs/dbraw/zinc/37/43/99/523374399.db2.gz DARMXRGKBNKPIO-AWEZNQCLSA-N 2 0 257.422 1.029 10 0 CDAERP CC[C@]1(C(=O)NCC2CC[NH+](C)CC2)CCC[NH2+]C1 ZINC000062860280 523536860 /nfs/dbraw/zinc/53/68/60/523536860.db2.gz RTBWMLGPEDCPON-HNNXBMFYSA-N 2 0 267.417 1.224 10 0 CDAERP COCC[N@H+](C)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052197723 523577333 /nfs/dbraw/zinc/57/73/33/523577333.db2.gz DJZFMDDLQAODEA-UHFFFAOYSA-N 2 0 258.406 1.359 10 0 CDAERP COCC[N@H+](C)CCN1CC[C@@H](C[NH2+]C(C)(C)C)C1 ZINC000061379296 523584269 /nfs/dbraw/zinc/58/42/69/523584269.db2.gz CLMFNAOKRUTGOV-AWEZNQCLSA-N 2 0 271.449 1.275 10 0 CDAERP COCC[N@H+](C)CCNC(=O)Nc1cccc([C@H](C)[NH3+])c1 ZINC000061400663 523597869 /nfs/dbraw/zinc/59/78/69/523597869.db2.gz MESIFAHZZPIGOI-LBPRGKRZSA-N 2 0 294.399 1.406 10 0 CDAERP CC[C@@](C)(C[NH2+]C)CN1CC[NH+](CC(C)C)CC1 ZINC000055081733 523640774 /nfs/dbraw/zinc/64/07/74/523640774.db2.gz RVIXKCLARDWCRA-HNNXBMFYSA-N 2 0 255.450 1.896 10 0 CDAERP COCC[N@@H+]1CCN(CC[C@@H]2CCC[NH+]2C)C[C@H]1C ZINC000161673506 523854247 /nfs/dbraw/zinc/85/42/47/523854247.db2.gz ZLGXVBWZJSVIHL-CABCVRRESA-N 2 0 269.433 1.123 10 0 CDAERP CC[C@H](C)C[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000111253080 523866962 /nfs/dbraw/zinc/86/69/62/523866962.db2.gz YLHLHDHDGXPNBQ-ZDUSSCGKSA-N 2 0 281.444 1.707 10 0 CDAERP COCC[NH2+]CC1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000053660972 523935587 /nfs/dbraw/zinc/93/55/87/523935587.db2.gz LVPLENBBSSYONK-HNNXBMFYSA-N 2 0 270.417 1.504 10 0 CDAERP CC[C@H](C)[NH+]1CCN(c2ncccc2C(N)=[NH2+])CC1 ZINC000055067163 523962070 /nfs/dbraw/zinc/96/20/70/523962070.db2.gz HRZIUHAQAMRRFJ-NSHDSACASA-N 2 0 261.373 1.286 10 0 CDAERP CN(C)C(=O)[C@@H]1CCC[N@@H+]1[C@@H](CC[NH3+])c1ccccc1 ZINC000055015959 524011519 /nfs/dbraw/zinc/01/15/19/524011519.db2.gz ZLEJSRJTLMLMOZ-GJZGRUSLSA-N 2 0 275.396 1.629 10 0 CDAERP COc1cccc([C@H]([NH3+])CN2CC[NH+](CC(C)C)CC2)c1 ZINC000055079032 524160318 /nfs/dbraw/zinc/16/03/18/524160318.db2.gz NKCIMCQFMUDBGN-QGZVFWFLSA-N 2 0 291.439 1.969 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)c1ccc(C[NH+](C)C)nc1 ZINC000339269682 524162646 /nfs/dbraw/zinc/16/26/46/524162646.db2.gz HMCPYPGOZAYBCB-GFCCVEGCSA-N 2 0 278.400 1.213 10 0 CDAERP C[C@H]1CCC[C@H](C(=O)NCC[NH+]2CCCCC2)[C@@H]1[NH3+] ZINC000055138368 524177056 /nfs/dbraw/zinc/17/70/56/524177056.db2.gz POTGHCPSJSMBIB-MELADBBJSA-N 2 0 267.417 1.352 10 0 CDAERP C[C@H]1CCC[C@H]([NH2+]CCN2CCN(CC[NH+](C)C)CC2)C1 ZINC000061655363 524207402 /nfs/dbraw/zinc/20/74/02/524207402.db2.gz UOFXNVYCWAADRR-IRXDYDNUSA-N 2 0 296.503 1.334 10 0 CDAERP C[C@@H]1CCC[N@H+](CCC(=O)N(C)CCC[NH3+])[C@@H]1C ZINC000050563600 524220249 /nfs/dbraw/zinc/22/02/49/524220249.db2.gz QGISMOASAHAHPS-CHWSQXEVSA-N 2 0 255.406 1.304 10 0 CDAERP C[C@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)NCC(C)(C)C[NH+](C)C ZINC000055125305 524414147 /nfs/dbraw/zinc/41/41/47/524414147.db2.gz RPUZDFFEYSBIFC-AVGNSLFASA-N 2 0 269.433 1.454 10 0 CDAERP C[C@H]1C[N@H+](CCCC[C@@](C)(CO)[NH2+]C2CC2)CCCO1 ZINC000070337799 524589873 /nfs/dbraw/zinc/58/98/73/524589873.db2.gz KCECVRHIYVUYLC-HOCLYGCPSA-N 2 0 284.444 1.771 10 0 CDAERP C[C@@H](C[NH+]1CCCC1)NC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000052882857 524590033 /nfs/dbraw/zinc/59/00/33/524590033.db2.gz BONWDIUWPLGMMH-BBRMVZONSA-N 2 0 275.396 1.461 10 0 CDAERP C[C@@H]1CC[C@H](C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)C[C@@H]1[NH3+] ZINC000062943643 524630283 /nfs/dbraw/zinc/63/02/83/524630283.db2.gz QZOUTHBVRROOCL-BARDWOONSA-N 2 0 279.428 1.447 10 0 CDAERP Cc1cc(F)ccc1[C@@H](C[NH3+])N1CCC[N@@H+](C)CC1 ZINC000050578337 525003321 /nfs/dbraw/zinc/00/33/21/525003321.db2.gz UPYKHXZVJRRFCK-OAHLLOKOSA-N 2 0 265.376 1.771 10 0 CDAERP CC(=O)NC1CCC([NH2+]CCCC[NH+](C)C)CC1 ZINC000427712889 534839858 /nfs/dbraw/zinc/83/98/58/534839858.db2.gz XWCSBDOHRCNUQE-UHFFFAOYSA-N 2 0 255.406 1.365 10 0 CDAERP C[C@H]1CCCC[C@@H]1[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063178632 526255923 /nfs/dbraw/zinc/25/59/23/526255923.db2.gz LNPPXXCXVJNELN-IHRRRGAJSA-N 2 0 267.417 1.352 10 0 CDAERP Cc1csc(CC[NH2+]C[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000070257630 526339802 /nfs/dbraw/zinc/33/98/02/526339802.db2.gz UGPUWSMJADCMRW-LBPRGKRZSA-N 2 0 265.426 1.973 10 0 CDAERP Cc1nc(N2CC[NH+](CC(C)C)CC2)sc1C[NH3+] ZINC000055076592 526968368 /nfs/dbraw/zinc/96/83/68/526968368.db2.gz SCOCFBWLAUKVTR-UHFFFAOYSA-N 2 0 268.430 1.688 10 0 CDAERP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063200422 527668581 /nfs/dbraw/zinc/66/85/81/527668581.db2.gz XHVYURHXCUSHHO-SOUVJXGZSA-N 2 0 252.402 1.754 10 0 CDAERP O[C@@H]1CCC[C@@H]1[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062033272 527672180 /nfs/dbraw/zinc/67/21/80/527672180.db2.gz LVDGUOJZRLLJGA-LSDHHAIUSA-N 2 0 252.402 1.708 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000262635585 535487144 /nfs/dbraw/zinc/48/71/44/535487144.db2.gz HOFQKQXIWQARMA-WCVJEAGWSA-N 2 0 293.455 1.898 10 0 CDAERP CC[NH+](CC)CCNC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000416806266 535534697 /nfs/dbraw/zinc/53/46/97/535534697.db2.gz ZHKLSKUYTZIWAR-CQSZACIVSA-N 2 0 278.400 1.327 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000261556656 535571966 /nfs/dbraw/zinc/57/19/66/535571966.db2.gz CCVFEVDSRLVCON-STQMWFEESA-N 2 0 253.390 1.119 10 0 CDAERP CC[NH+](CC)[C@@H](C)CNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000115796845 535642719 /nfs/dbraw/zinc/64/27/19/535642719.db2.gz ZACPPYXFAUBDFD-GJZGRUSLSA-N 2 0 298.475 1.700 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000261555305 535957623 /nfs/dbraw/zinc/95/76/23/535957623.db2.gz BHJSDVAOSSQGGF-QWHCGFSZSA-N 2 0 253.390 1.071 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](CN2CCOC2=S)CC1 ZINC000738071318 574539589 /nfs/dbraw/zinc/53/95/89/574539589.db2.gz PKJFSJTXPAVUMQ-UHFFFAOYSA-N 2 0 285.457 1.615 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)CC(C)(C)O)C1 ZINC000872203404 620697523 /nfs/dbraw/zinc/69/75/23/620697523.db2.gz XRBYDJSSJSYUER-UONOGXRCSA-N 2 0 272.433 1.076 10 0 CDAERP CC1(C)[C@@H]([NH2+]CCNc2cnccn2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925556784 617507954 /nfs/dbraw/zinc/50/79/54/617507954.db2.gz MKLDJOJPPYUNAM-XBFCOCLRSA-N 2 0 275.400 1.255 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H]2CC(=O)N(C3CC3)C2)C1 ZINC000925574451 617522776 /nfs/dbraw/zinc/52/27/76/617522776.db2.gz BEDQNBOTXFTBOL-UTUOFQBUSA-N 2 0 265.401 1.245 10 0 CDAERP C[C@](O)(C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)C1CC1 ZINC000925609508 617553636 /nfs/dbraw/zinc/55/36/36/617553636.db2.gz VDXPWDJWDKVGJN-OSFYFWSMSA-N 2 0 252.402 1.514 10 0 CDAERP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)[C@H](O)Cc1ccccc1 ZINC000925619075 617564187 /nfs/dbraw/zinc/56/41/87/617564187.db2.gz XOWUGJPJXMXMQV-DRPJVOAASA-N 2 0 274.408 1.838 10 0 CDAERP CC1(C)[C@H]([NH2+]C[C@@H]2CC[C@H](O)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925648442 617591284 /nfs/dbraw/zinc/59/12/84/617591284.db2.gz BMMXVQRSNMESIP-XHJNMGKDSA-N 2 0 252.402 1.514 10 0 CDAERP CC1(C)[C@H]([NH2+]CC2=CCCOC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925671360 617631021 /nfs/dbraw/zinc/63/10/21/617631021.db2.gz CTYPIUAJOTZVTO-HZSPNIEDSA-N 2 0 250.386 1.699 10 0 CDAERP C1CO[C@@]2(C1)CCC[C@@H]2[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925771534 617640131 /nfs/dbraw/zinc/64/01/31/617640131.db2.gz BTPDBUOCJHXHCU-AHWCTLNISA-N 2 0 262.397 1.674 10 0 CDAERP [NH3+][C@H]1C[C@H]([NH2+][C@@H]2CCC[C@]23CCCO3)C12CCC2 ZINC000925772866 617648603 /nfs/dbraw/zinc/64/86/03/617648603.db2.gz KHZTYQCBLFUSDY-XFMPKHEZSA-N 2 0 250.386 1.948 10 0 CDAERP C[C@@H](CCCO)C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925681348 617656557 /nfs/dbraw/zinc/65/65/57/617656557.db2.gz XHMJAPKWIBQWPW-CRWXNKLISA-N 2 0 254.418 1.761 10 0 CDAERP O[C@H](C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)C1CCC1 ZINC000925694581 617712950 /nfs/dbraw/zinc/71/29/50/617712950.db2.gz UTMMSMUHPXFFGR-OWCLPIDISA-N 2 0 266.429 1.905 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000925802704 617737338 /nfs/dbraw/zinc/73/73/38/617737338.db2.gz IBWGBOVTZKROED-BZPMIXESSA-N 2 0 262.401 1.633 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1nccc2c1CCCC2 ZINC000925807152 617747418 /nfs/dbraw/zinc/74/74/18/617747418.db2.gz SYIJGENKIGMFMR-VBNZEHGJSA-N 2 0 289.423 1.802 10 0 CDAERP COCC1(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC[NH2+]CC1 ZINC000925701233 617750212 /nfs/dbraw/zinc/75/02/12/617750212.db2.gz VYGBSLAZIIOKNF-QLFBSQMISA-N 3 0 295.471 1.369 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000925709901 617803647 /nfs/dbraw/zinc/80/36/47/617803647.db2.gz ALOBWNXDGHXOOM-YYSHTVKUSA-N 2 0 279.384 1.075 10 0 CDAERP [NH3+]CCC[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccccc1 ZINC000925717694 617837768 /nfs/dbraw/zinc/83/77/68/617837768.db2.gz DCSSCGUDEBIUNV-HNNXBMFYSA-N 3 0 277.412 1.564 10 0 CDAERP NC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925719219 617842727 /nfs/dbraw/zinc/84/27/27/617842727.db2.gz MKMWNSSCQGHRGJ-AAVRWANBSA-N 2 0 265.401 1.008 10 0 CDAERP CCO[C@H](CN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)C[NH+](C)C ZINC000925839091 617870587 /nfs/dbraw/zinc/87/05/87/617870587.db2.gz PSNUGNLEHOFWQN-MGPQQGTHSA-N 2 0 271.449 1.449 10 0 CDAERP CC(C)C[C@@H](C)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925850913 617886401 /nfs/dbraw/zinc/88/64/01/617886401.db2.gz ABYJIZDKLZPPNI-OLZOCXBDSA-N 2 0 268.401 1.696 10 0 CDAERP C[C@@H]([NH2+]C[C@H]1CCC2(CCOCC2)CO1)C1C[NH2+]C1 ZINC000925736738 618057823 /nfs/dbraw/zinc/05/78/23/618057823.db2.gz ODQDDPIDTMVZIY-TZMCWYRMSA-N 2 0 268.401 1.160 10 0 CDAERP C[C@@H]1C[N@H+](C[C@@H](O)CCc2ccccc2)C[C@H]1CC[NH3+] ZINC000923427564 618335764 /nfs/dbraw/zinc/33/57/64/618335764.db2.gz BWMVEBAIOZWLES-OIISXLGYSA-N 2 0 276.424 1.897 10 0 CDAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CCOc1ccccc1)CC2 ZINC000923454628 618340665 /nfs/dbraw/zinc/34/06/65/618340665.db2.gz HQEISASXWWOYOY-MRXNPFEDSA-N 2 0 290.407 1.895 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@H]2C(=O)NCC2(C)C)CC1 ZINC000924954256 618390343 /nfs/dbraw/zinc/39/03/43/618390343.db2.gz GFVHNLXYHWYPOA-ZDUSSCGKSA-N 2 0 267.417 1.223 10 0 CDAERP CN(C)C[C@H](O)C[NH2+]C1CC(Sc2ccccc2)C1 ZINC000924993961 618566677 /nfs/dbraw/zinc/56/66/77/618566677.db2.gz NPNZMBSIZRXUOR-JVWICGRDSA-N 2 0 280.437 1.822 10 0 CDAERP CC(C)[N@H+](C)CCN[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000924904316 618738322 /nfs/dbraw/zinc/73/83/22/618738322.db2.gz QBOUXSZECMJOPA-CABCVRRESA-N 2 0 253.434 1.933 10 0 CDAERP COC(=O)[C@@H]1[C@H](C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)C1(F)F ZINC000894767393 619052463 /nfs/dbraw/zinc/05/24/63/619052463.db2.gz XFKYKCXFVBBSBF-WOPDTQHZSA-N 2 0 290.354 1.361 10 0 CDAERP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C1 ZINC000902796558 625417823 /nfs/dbraw/zinc/41/78/23/625417823.db2.gz PCFYIKBDTFYSPM-HIFUNWJGSA-N 2 0 264.413 1.731 10 0 CDAERP C([C@H]1CCCO1)N1CCC([NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC000897814512 621116464 /nfs/dbraw/zinc/11/64/64/621116464.db2.gz VEWKAHQOJNKQJP-JHMPBIJASA-N 2 0 292.423 1.395 10 0 CDAERP CC(C)[C@@H]1COCC[C@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000924634397 621615272 /nfs/dbraw/zinc/61/52/72/621615272.db2.gz WBBICERBPWGSMQ-DLBZAZTESA-N 2 0 297.487 1.663 10 0 CDAERP CC[NH+]1CCC([NH2+]CC[C@@H](N(C)C)C(F)(F)F)CC1 ZINC000926966319 621636177 /nfs/dbraw/zinc/63/61/77/621636177.db2.gz ZNMMKEVLHHZKLU-GFCCVEGCSA-N 2 0 281.366 1.943 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCO[C@@H]2CCOC2)[C@H]2CCC[C@H]21 ZINC000927082241 621690809 /nfs/dbraw/zinc/69/08/09/621690809.db2.gz VYDVCFTYGVWGFD-APIJFGDWSA-N 2 0 268.401 1.254 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCO[C@@H]2CCOC2)[C@@H]2CCC[C@H]21 ZINC000927082242 621691000 /nfs/dbraw/zinc/69/10/00/621691000.db2.gz VYDVCFTYGVWGFD-CBBWQLFWSA-N 2 0 268.401 1.254 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cccc2c1OCO2 ZINC000924736229 621825234 /nfs/dbraw/zinc/82/52/34/621825234.db2.gz YYTRFPLKAMISET-NNQSOWQGSA-N 2 0 274.364 1.845 10 0 CDAERP CC(C)C[C@@H](CNC(=[NH2+])N[C@@H](C)C1CC1)[NH+](C)C ZINC000899266702 622131206 /nfs/dbraw/zinc/13/12/06/622131206.db2.gz VEBBPDRYLAEHNT-AAEUAGOBSA-N 2 0 254.422 1.875 10 0 CDAERP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900010516 622633651 /nfs/dbraw/zinc/63/36/51/622633651.db2.gz ZVQCJIXRDAZVEU-KGLIPLIRSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[N@@H+]1CCC[C@@H](C)C1 ZINC000900204632 622800913 /nfs/dbraw/zinc/80/09/13/622800913.db2.gz MFDMYOSQPODTNM-ZIAGYGMSSA-N 2 0 279.428 1.319 10 0 CDAERP COCCN(CC[NH+](C)C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900586568 623260622 /nfs/dbraw/zinc/26/06/22/623260622.db2.gz FFAUJHPGLYNKHL-CABCVRRESA-N 2 0 297.443 1.040 10 0 CDAERP CN(C(=O)[C@H]1CC[N@@H+]1C(C)(C)C)[C@@H]1C[NH+]2CCC1CC2 ZINC000900660272 623340510 /nfs/dbraw/zinc/34/05/10/623340510.db2.gz CRJLIHLAVMSLBF-ZIAGYGMSSA-N 2 0 279.428 1.412 10 0 CDAERP C1[C@@H]([NH2+][C@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)[C@@H]2CCC[C@@H]12 ZINC000902456839 624842304 /nfs/dbraw/zinc/84/23/04/624842304.db2.gz PZZHITZOMCJXGL-PLZKBRGSSA-N 2 0 264.413 1.922 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@H](N3CCCCC3=O)C2)C1 ZINC000903434320 625991178 /nfs/dbraw/zinc/99/11/78/625991178.db2.gz BZWBFYWBZQHFOT-ZNMIVQPWSA-N 2 0 279.428 1.591 10 0 CDAERP CCCNC(=O)[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903435906 625991748 /nfs/dbraw/zinc/99/17/48/625991748.db2.gz ZZQCPBSIGNQGHN-MCIONIFRSA-N 2 0 267.417 1.352 10 0 CDAERP COCCOC[C@@H]1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903439747 625992679 /nfs/dbraw/zinc/99/26/79/625992679.db2.gz NQNCIEXFNSMHAI-MCIONIFRSA-N 2 0 256.390 1.099 10 0 CDAERP Cc1cc(CN2CC[NH+](C[C@@H]3CC[C@H]([NH3+])C3)CC2)on1 ZINC000903441249 625992844 /nfs/dbraw/zinc/99/28/44/625992844.db2.gz JNXODSPGUUGTFU-KGLIPLIRSA-N 2 0 278.400 1.228 10 0 CDAERP CC(F)(F)CCC[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000903458639 625994308 /nfs/dbraw/zinc/99/43/08/625994308.db2.gz FYHZAJMCWBDHIJ-LBPRGKRZSA-N 2 0 287.358 1.809 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000903461074 625996019 /nfs/dbraw/zinc/99/60/19/625996019.db2.gz OJZGVTURDIQHOI-YXMSTPNBSA-N 3 0 281.444 1.060 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000903443661 625997467 /nfs/dbraw/zinc/99/74/67/625997467.db2.gz GZWKYYQEFRLQTE-ILXRZTDVSA-N 2 0 253.434 1.648 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C[C@@H]2C[NH2+]C[C@H]2C)[C@H](C)C1 ZINC000903445010 625998518 /nfs/dbraw/zinc/99/85/18/625998518.db2.gz WSUPJHVZTYJZSL-KBXIAJHMSA-N 2 0 253.434 1.504 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000903446467 625999212 /nfs/dbraw/zinc/99/92/12/625999212.db2.gz WZXFUQZITJATOF-KBXIAJHMSA-N 2 0 251.418 1.306 10 0 CDAERP COc1ccccc1[C@H]1C[NH2+]CCN1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903450349 626000447 /nfs/dbraw/zinc/00/04/47/626000447.db2.gz UODHBKBLGZGVLL-IJEWVQPXSA-N 2 0 289.423 1.769 10 0 CDAERP Cc1nc([C@H]2CC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)no1 ZINC000903491224 626010862 /nfs/dbraw/zinc/01/08/62/626010862.db2.gz ZRDTURJQIMIHAP-STQMWFEESA-N 2 0 264.373 1.557 10 0 CDAERP COc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000903494884 626011409 /nfs/dbraw/zinc/01/14/09/626011409.db2.gz OWSKUSNZNYPUPT-CHWSQXEVSA-N 2 0 291.395 1.550 10 0 CDAERP C[C@@H]1C[N@H+](CCC(=O)NC2CCCC2)C[C@H]1CC[NH3+] ZINC000903496880 626012231 /nfs/dbraw/zinc/01/22/31/626012231.db2.gz INSOXWBGCCPOMH-CHWSQXEVSA-N 2 0 267.417 1.352 10 0 CDAERP [NH3+][C@@H]1CN(CCCC2CC[NH2+]CC2)C[C@H]1C(F)(F)F ZINC000903513424 626013261 /nfs/dbraw/zinc/01/32/61/626013261.db2.gz MHAMPGLCPCIGIP-VXGBXAGGSA-N 2 0 279.350 1.588 10 0 CDAERP C([C@H]1CCOC1)[N@H+](C[C@H]1C[C@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903725249 626065289 /nfs/dbraw/zinc/06/52/89/626065289.db2.gz YJYUZPCFKAWEKA-BMFZPTHFSA-N 2 0 280.412 1.256 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[NH+]2CCCCC2)cnn1C ZINC000903896867 626136440 /nfs/dbraw/zinc/13/64/40/626136440.db2.gz AHHIQNGGDSHKJN-CYBMUJFWSA-N 2 0 250.390 1.332 10 0 CDAERP COCCO[C@H]1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903904140 626139974 /nfs/dbraw/zinc/13/99/74/626139974.db2.gz PPQRXTMFWZGACI-UYTSQGDYSA-N 2 0 282.428 1.644 10 0 CDAERP CCC(C)(C)C[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903927901 626149670 /nfs/dbraw/zinc/14/96/70/626149670.db2.gz VBPQIZARXXXMOF-LBPRGKRZSA-N 2 0 265.405 1.728 10 0 CDAERP FC1CCC(C[NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)CC1 ZINC000903931557 626151295 /nfs/dbraw/zinc/15/12/95/626151295.db2.gz FCMOHJDYICVMDY-RUXDESIVSA-N 2 0 295.406 1.821 10 0 CDAERP C[C@@H]1CN(C[C@@]2(C)CC[NH2+]C2)CCN1c1cc[nH+]cc1 ZINC000903937076 626154889 /nfs/dbraw/zinc/15/48/89/626154889.db2.gz AXLGDAJIBRUHEK-ZBFHGGJFSA-N 2 0 274.412 1.592 10 0 CDAERP CC(C)(C)[NH2+]CCN1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903983597 626173317 /nfs/dbraw/zinc/17/33/17/626173317.db2.gz JXRPLVDXCVZLQE-UWVGGRQHSA-N 2 0 267.339 1.586 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=[NH2+])NC[C@H]2CCCS2)C1 ZINC000905043881 626382667 /nfs/dbraw/zinc/38/26/67/626382667.db2.gz KMUHPLQLYVJQGG-GRYCIOLGSA-N 2 0 270.446 1.336 10 0 CDAERP C[C@@H]1[C@@H](NC(=S)NCC(C)(C)C[NH+](C)C)CC[N@@H+]1C ZINC000905651456 626900297 /nfs/dbraw/zinc/90/02/97/626900297.db2.gz WDEYTIMLNGOXID-NEPJUHHUSA-N 2 0 286.489 1.131 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)C2(O)CCCC2)C[C@H]1C ZINC000905934762 627049373 /nfs/dbraw/zinc/04/93/73/627049373.db2.gz RAILOEGSUTZTBQ-QLFBSQMISA-N 2 0 284.444 1.457 10 0 CDAERP CCO[C@@H]1[C@H](C)[C@@H]1C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000912304745 629914719 /nfs/dbraw/zinc/91/47/19/629914719.db2.gz QLQPBSUXLFCUDG-LJISPDSOSA-N 2 0 299.459 1.046 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC(C)(C)n1ccnc1 ZINC000912616509 630086059 /nfs/dbraw/zinc/08/60/59/630086059.db2.gz INKMFDOGJNJARC-CYBMUJFWSA-N 2 0 278.400 1.609 10 0 CDAERP C/C(Cl)=C/C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000913436410 630479483 /nfs/dbraw/zinc/47/94/83/630479483.db2.gz ICXIVHTUBWTACO-RLLAQXBXSA-N 2 0 287.835 1.327 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000914081130 631016426 /nfs/dbraw/zinc/01/64/26/631016426.db2.gz PYYJHUQXYCRXDD-MGPQQGTHSA-N 2 0 282.432 1.253 10 0 CDAERP CCc1[nH]nc(Cl)c1C[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000921691091 633187527 /nfs/dbraw/zinc/18/75/27/633187527.db2.gz ZXZLCZJRJLCYMZ-NSHDSACASA-N 2 0 299.850 1.351 10 0 CDAERP COCCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001690356401 1158483349 /nfs/dbraw/zinc/48/33/49/1158483349.db2.gz HIBVXVXKBGDXEM-OKILXGFUSA-N 2 0 299.459 1.238 10 0 CDAERP CCC[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1CC1 ZINC001670516641 1158628505 /nfs/dbraw/zinc/62/85/05/1158628505.db2.gz DYDWTZITUJCKJV-UONOGXRCSA-N 2 0 269.433 1.467 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001670545340 1158635095 /nfs/dbraw/zinc/63/50/95/1158635095.db2.gz UUXLMUJWPXJXKB-GOEBONIOSA-N 2 0 293.455 1.779 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001266638570 1158713541 /nfs/dbraw/zinc/71/35/41/1158713541.db2.gz YTTXNIOVIHYOMT-HDJSIYSDSA-N 2 0 267.417 1.509 10 0 CDAERP C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CCCF ZINC001267141449 1159135036 /nfs/dbraw/zinc/13/50/36/1159135036.db2.gz BWHYRXZFVVQKGP-RDBSUJKOSA-N 2 0 287.423 1.561 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[C@@H](C(F)(F)F)O2)C1 ZINC000722391171 1159789249 /nfs/dbraw/zinc/78/92/49/1159789249.db2.gz FTDWNLIIWHQIRM-RCWTZXSCSA-N 2 0 266.307 1.956 10 0 CDAERP CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]C/C=C\Cl)[NH+](C)C ZINC001270293104 1160100928 /nfs/dbraw/zinc/10/09/28/1160100928.db2.gz GJMUQNMEBZFGFG-UWNIJABGSA-N 2 0 287.835 1.660 10 0 CDAERP CC[C@H](C(=O)NCC1([NH2+]C[C@@H](C)CC)CC1)[NH+](C)C ZINC001670807269 1160168925 /nfs/dbraw/zinc/16/89/25/1160168925.db2.gz HPQDSCMJTSQYRA-QWHCGFSZSA-N 2 0 269.433 1.611 10 0 CDAERP COCCC[N@H+](C)CCN(C(=O)[C@@H]1CC[NH+](C)C1)C(C)C ZINC001486379569 1161453836 /nfs/dbraw/zinc/45/38/36/1161453836.db2.gz LHXATQLSUFZDDJ-OAHLLOKOSA-N 2 0 299.459 1.143 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870885489 1165228042 /nfs/dbraw/zinc/22/80/42/1165228042.db2.gz HEDBCVXYXFITRK-BBBYJDLNSA-N 2 0 279.428 1.509 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)CC[C@H]2CCC[NH2+]C2)C1 ZINC000870988245 1165249392 /nfs/dbraw/zinc/24/93/92/1165249392.db2.gz KGNXYODAASZIRI-PBHICJAKSA-N 2 0 295.471 1.990 10 0 CDAERP CC[NH+]1CCC([NH2+]CCC[C@@H]2CCOC2=O)CC1 ZINC000872112778 1165381678 /nfs/dbraw/zinc/38/16/78/1165381678.db2.gz LQJUGXVKFTUJBV-GFCCVEGCSA-N 2 0 254.374 1.404 10 0 CDAERP CC(C)[N@H+](C)CCCNC(=O)[C@@H](C)CC[NH+](C)C ZINC001624331448 1165834247 /nfs/dbraw/zinc/83/42/47/1165834247.db2.gz UOBMLAUKGMBZHT-ZDUSSCGKSA-N 2 0 257.422 1.421 10 0 CDAERP CC[NH2+]CC[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001672915450 1165918563 /nfs/dbraw/zinc/91/85/63/1165918563.db2.gz HRPLKBIYRCKZJN-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)NC23CC[NH+](CC2)C3)C1 ZINC001643505679 1167254642 /nfs/dbraw/zinc/25/46/42/1167254642.db2.gz YSGBGRHXBUNVQD-STQMWFEESA-N 2 0 265.401 1.071 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001566791445 1168423017 /nfs/dbraw/zinc/42/30/17/1168423017.db2.gz HXLWEOCQBRBCID-BZUAXINKSA-N 2 0 293.455 1.755 10 0 CDAERP COCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@@H](C)C1 ZINC001671233107 1168427644 /nfs/dbraw/zinc/42/76/44/1168427644.db2.gz USNHETPHOQYIHS-UONOGXRCSA-N 2 0 297.443 1.086 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001647319628 1168555662 /nfs/dbraw/zinc/55/56/62/1168555662.db2.gz HQMOODKINDZXTJ-UONOGXRCSA-N 2 0 294.443 1.302 10 0 CDAERP CC[NH2+]CCc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001567183016 1168609939 /nfs/dbraw/zinc/60/99/39/1168609939.db2.gz QVPAFEVHHPIGFJ-MRXNPFEDSA-N 2 0 289.423 1.549 10 0 CDAERP CCOCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)CC ZINC001567865692 1169029515 /nfs/dbraw/zinc/02/95/15/1169029515.db2.gz ZUFPMGXVVYZTRQ-GJZGRUSLSA-N 2 0 297.443 1.040 10 0 CDAERP COCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001568113576 1169138482 /nfs/dbraw/zinc/13/84/82/1169138482.db2.gz OMXQYARCZPTPBW-RBSFLKMASA-N 2 0 299.459 1.236 10 0 CDAERP CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001569003778 1169587974 /nfs/dbraw/zinc/58/79/74/1169587974.db2.gz AHZPKARWOSVUOG-CHWSQXEVSA-N 2 0 255.406 1.221 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001569076992 1169632684 /nfs/dbraw/zinc/63/26/84/1169632684.db2.gz CISOQPMSKWNWGY-ZDUSSCGKSA-N 2 0 255.406 1.389 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C[N@H+](C)CCCF)[NH+](C)C ZINC001569125110 1169670633 /nfs/dbraw/zinc/67/06/33/1169670633.db2.gz QXWZRXWRNADHRJ-VXGBXAGGSA-N 2 0 261.385 1.123 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@@H](C[NH2+]C/C=C/Cl)C2CC2)CC1 ZINC001569317448 1169763000 /nfs/dbraw/zinc/76/30/00/1169763000.db2.gz YVEJVEBMMBNUQW-UTPRNQHHSA-N 2 0 299.846 1.565 10 0 CDAERP CC/C=C/CC[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001569426306 1169878224 /nfs/dbraw/zinc/87/82/24/1169878224.db2.gz MRJMDRCOWOZOTO-MBVDDHJVSA-N 2 0 293.455 1.923 10 0 CDAERP C[C@@H](O)C[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)CC1 ZINC001570185821 1170105382 /nfs/dbraw/zinc/10/53/82/1170105382.db2.gz SLQJFXBNIKULOB-HUUCEWRRSA-N 2 0 299.459 1.070 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001570464306 1170166346 /nfs/dbraw/zinc/16/63/46/1170166346.db2.gz UJEUHALGFIHNRI-UONOGXRCSA-N 2 0 267.417 1.531 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CCCF ZINC001570653813 1170223916 /nfs/dbraw/zinc/22/39/16/1170223916.db2.gz WJQAJFYWJYRIOS-RYUDHWBXSA-N 2 0 261.385 1.169 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CC[C@H]([NH2+]CCCCCF)C1 ZINC001662573092 1172561385 /nfs/dbraw/zinc/56/13/85/1172561385.db2.gz KTMVDEQJPJGZQL-AWEZNQCLSA-N 2 0 285.407 1.413 10 0 CDAERP CN(CC[NH2+]CC1CC1)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001664240208 1172829007 /nfs/dbraw/zinc/82/90/07/1172829007.db2.gz DYXWNCJSLNODRQ-LSDHHAIUSA-N 2 0 279.428 1.461 10 0 CDAERP CC[C@H](C(=O)NCC[C@@H]1CC[N@@H+](C(C)C)C1)[NH+](C)C ZINC001664721636 1172898740 /nfs/dbraw/zinc/89/87/40/1172898740.db2.gz HPUGYOQPQUHJAH-ZIAGYGMSSA-N 2 0 269.433 1.563 10 0 CDAERP CO[C@H](C)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001668819959 1173470205 /nfs/dbraw/zinc/47/02/05/1173470205.db2.gz ABUXOFWLRXWUQV-MUHKLVGJSA-N 2 0 297.443 1.156 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CCC(C)([NH2+]CCCF)CC2)C1 ZINC001673997460 1173904482 /nfs/dbraw/zinc/90/44/82/1173904482.db2.gz RPLJVEMALJDKRR-ZDUSSCGKSA-N 2 0 285.407 1.268 10 0 CDAERP CCC[NH2+][C@H](C)CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001690846737 1175589641 /nfs/dbraw/zinc/58/96/41/1175589641.db2.gz PSBHKOBAKIEWMT-KGLIPLIRSA-N 2 0 269.433 1.755 10 0 CDAERP COCCC[NH2+]C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001699363680 1176319328 /nfs/dbraw/zinc/31/93/28/1176319328.db2.gz SMLBDIUFEQWMNB-CQSZACIVSA-N 2 0 299.459 1.382 10 0 CDAERP C[C@H](C[NH2+]CCC(F)(F)F)NC(=O)C12CC[NH+](CC1)C2 ZINC001699385224 1176343797 /nfs/dbraw/zinc/34/37/97/1176343797.db2.gz GTEOXENMUGXNGL-SNVBAGLBSA-N 2 0 293.333 1.129 10 0 CDAERP CCC[NH+]1CC([C@H](C)NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001700553301 1177011312 /nfs/dbraw/zinc/01/13/12/1177011312.db2.gz DXMYTYCUCADNSS-WCQYABFASA-N 2 0 255.406 1.173 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1C ZINC001700882366 1177177305 /nfs/dbraw/zinc/17/73/05/1177177305.db2.gz MUFZAZMZNMVRRE-QWHCGFSZSA-N 2 0 255.406 1.317 10 0 CDAERP CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001707143107 1177957435 /nfs/dbraw/zinc/95/74/35/1177957435.db2.gz PSIYDPBFRSCMHP-LSDHHAIUSA-N 2 0 295.471 1.955 10 0 CDAERP CC[NH2+]CCCCCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001707186072 1177963326 /nfs/dbraw/zinc/96/33/26/1177963326.db2.gz FKOSRUSODBWREP-AWEZNQCLSA-N 2 0 269.433 1.566 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1C(=O)NCC[NH2+]C1CCCCCC1 ZINC000159696084 1178246911 /nfs/dbraw/zinc/24/69/11/1178246911.db2.gz DEUKZPLVJLRLII-HUUCEWRRSA-N 2 0 281.444 1.933 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001713316578 1178492956 /nfs/dbraw/zinc/49/29/56/1178492956.db2.gz UGRDDPSQOYIIII-CYBMUJFWSA-N 2 0 267.417 1.531 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001713352762 1178515321 /nfs/dbraw/zinc/51/53/21/1178515321.db2.gz DYZDQCAPZGGHRY-ZIAGYGMSSA-N 2 0 299.434 1.514 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001713466518 1178584608 /nfs/dbraw/zinc/58/46/08/1178584608.db2.gz FZBXRWAQTHWRHI-KGLIPLIRSA-N 2 0 269.433 1.422 10 0 CDAERP CC[C@H](F)C[NH2+]CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001713592351 1178673445 /nfs/dbraw/zinc/67/34/45/1178673445.db2.gz SFXQKYDZKZGFMX-UONOGXRCSA-N 2 0 285.407 1.124 10 0 CDAERP CC[C@H](F)C[NH2+]CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001713592349 1178673768 /nfs/dbraw/zinc/67/37/68/1178673768.db2.gz SFXQKYDZKZGFMX-KBPBESRZSA-N 2 0 285.407 1.124 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)CC[NH2+]CC1CC2(CCC2)C1 ZINC001713650739 1178697216 /nfs/dbraw/zinc/69/72/16/1178697216.db2.gz KGGZTZSJKZNJAN-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CC/C=C/CC[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001713901708 1178830363 /nfs/dbraw/zinc/83/03/63/1178830363.db2.gz TZTVANZOUUCXQR-QNQFUXMYSA-N 2 0 293.455 1.731 10 0 CDAERP CC/C=C\CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001713966026 1178898580 /nfs/dbraw/zinc/89/85/80/1178898580.db2.gz GRWMISNKSXVSLG-FYFCFCJWSA-N 2 0 279.428 1.531 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]CCCF)C1)[NH+](C)C ZINC001714087187 1178965956 /nfs/dbraw/zinc/96/59/56/1178965956.db2.gz WBMGZNQMHSYECT-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP C[NH+]1CCC(C(=O)N2CCC(CC[NH2+]CCF)CC2)CC1 ZINC001715176369 1179569996 /nfs/dbraw/zinc/56/99/96/1179569996.db2.gz QXUJEMDFASSJLK-UHFFFAOYSA-N 2 0 299.434 1.516 10 0 CDAERP CCC[NH2+]C[C@@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001715232356 1179589513 /nfs/dbraw/zinc/58/95/13/1179589513.db2.gz BKRNQAVMPARLRK-GFCCVEGCSA-N 2 0 255.406 1.223 10 0 CDAERP CC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001715312860 1179618168 /nfs/dbraw/zinc/61/81/68/1179618168.db2.gz WZNMEABOXYFYNQ-ZDUSSCGKSA-N 2 0 267.417 1.367 10 0 CDAERP CCC[NH2+]C/C=C\CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001715893803 1179901809 /nfs/dbraw/zinc/90/18/09/1179901809.db2.gz JBEAHUFMGGOSJI-DSYXLKISSA-N 2 0 253.390 1.000 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001716440300 1180211486 /nfs/dbraw/zinc/21/14/86/1180211486.db2.gz XPTQFDLPBLFSMI-ZDUSSCGKSA-N 2 0 267.417 1.531 10 0 CDAERP COC[C@H](C)[NH2+]CCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001716552287 1180281944 /nfs/dbraw/zinc/28/19/44/1180281944.db2.gz CKMZPAYDNAJDHE-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP CCCC[C@@H](C[NH2+]CC)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001717532348 1180725167 /nfs/dbraw/zinc/72/51/67/1180725167.db2.gz FEYQOUHFWWZTDI-KGLIPLIRSA-N 2 0 269.433 1.613 10 0 CDAERP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCCC1CCC1 ZINC001717754534 1180830618 /nfs/dbraw/zinc/83/06/18/1180830618.db2.gz OSGXYLKQMCDKFG-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001717829704 1180883886 /nfs/dbraw/zinc/88/38/86/1180883886.db2.gz IYQFFFDVAQNMMP-LSDHHAIUSA-N 2 0 279.428 1.627 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001722951158 1181498871 /nfs/dbraw/zinc/49/88/71/1181498871.db2.gz BDKNWDKOZXWECL-GJZGRUSLSA-N 2 0 293.455 1.757 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CC=C(C)C)C1 ZINC001724946964 1181804421 /nfs/dbraw/zinc/80/44/21/1181804421.db2.gz LYEACCQROCLLLF-LSDHHAIUSA-N 2 0 281.444 1.731 10 0 CDAERP CCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001725285594 1181951163 /nfs/dbraw/zinc/95/11/63/1181951163.db2.gz CFSCZKOZQFOXGA-GFCCVEGCSA-N 2 0 255.406 1.175 10 0 CDAERP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CCC1 ZINC001725520632 1182035284 /nfs/dbraw/zinc/03/52/84/1182035284.db2.gz NRTJKJWFLPFISE-TZMCWYRMSA-N 2 0 267.417 1.175 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@H+](C)CCC)C1 ZINC001725603299 1182069844 /nfs/dbraw/zinc/06/98/44/1182069844.db2.gz ZOGAFHDMXRPYLQ-KGLIPLIRSA-N 2 0 269.433 1.707 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000300407711 1182223582 /nfs/dbraw/zinc/22/35/82/1182223582.db2.gz RVBOPHFCPZNVGD-YNEHKIRRSA-N 2 0 255.406 1.350 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001731485807 1182414835 /nfs/dbraw/zinc/41/48/35/1182414835.db2.gz ZUULQFSGHCLLBC-GASCZTMLSA-N 2 0 279.428 1.531 10 0 CDAERP CC/C=C/CC[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001731771021 1182565427 /nfs/dbraw/zinc/56/54/27/1182565427.db2.gz GOZRXPDTCWIAOS-WLBISTCBSA-N 2 0 281.444 1.731 10 0 CDAERP CCOCC[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001731786270 1182576467 /nfs/dbraw/zinc/57/64/67/1182576467.db2.gz PATUDSKGXCDTIR-HNNXBMFYSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C[NH2+]CCC1CC1 ZINC001732366267 1182928747 /nfs/dbraw/zinc/92/87/47/1182928747.db2.gz NCIUOQGZVKQABI-HIFRSBDPSA-N 2 0 281.444 1.470 10 0 CDAERP CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C(C)C ZINC001732561230 1183009637 /nfs/dbraw/zinc/00/96/37/1183009637.db2.gz VQAVSBHMKILLOT-QWHCGFSZSA-N 2 0 255.406 1.221 10 0 CDAERP COCC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001732563911 1183010775 /nfs/dbraw/zinc/01/07/75/1183010775.db2.gz WRBDGZBISCKZQS-GJZGRUSLSA-N 2 0 299.459 1.236 10 0 CDAERP CCCC[NH2+][C@@H](CNC(=O)C1CC[NH+](C)CC1)C(C)C ZINC001732568657 1183014611 /nfs/dbraw/zinc/01/46/11/1183014611.db2.gz ZMSDFVYKTJWGLU-HNNXBMFYSA-N 2 0 283.460 1.859 10 0 CDAERP CC[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001732909060 1183180838 /nfs/dbraw/zinc/18/08/38/1183180838.db2.gz QSCZPFLBZAOZRL-LMVHVUTASA-N 2 0 267.417 1.531 10 0 CDAERP CCCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001732956798 1183203853 /nfs/dbraw/zinc/20/38/53/1183203853.db2.gz PUHPFPZZGWIZFX-ZIAGYGMSSA-N 2 0 269.433 1.755 10 0 CDAERP CC(C)[NH2+]C[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001734217365 1183694380 /nfs/dbraw/zinc/69/43/80/1183694380.db2.gz OUTSPFFTYAZRTJ-JOCQHMNTSA-N 2 0 267.417 1.221 10 0 CDAERP CCCC[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001734328796 1183734877 /nfs/dbraw/zinc/73/48/77/1183734877.db2.gz QOOMWBFMHKVVTI-ZDUSSCGKSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)C[NH2+][C@H](C)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001734345031 1183741288 /nfs/dbraw/zinc/74/12/88/1183741288.db2.gz RVASIWUNHOBAEE-ZIAGYGMSSA-N 2 0 269.433 1.421 10 0 CDAERP CC[N@H+](C)CCC(=O)NCC1=CC[NH+](CC2CC2)CC1 ZINC001734636306 1183855456 /nfs/dbraw/zinc/85/54/56/1183855456.db2.gz QFOULRXRJVMWSR-UHFFFAOYSA-N 2 0 279.428 1.487 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]([NH+](C)C)CC2)CC[N@@H+]1C ZINC000365618599 1187258592 /nfs/dbraw/zinc/25/85/92/1187258592.db2.gz HRAZEGIDWHBLRY-KKUMJFAQSA-N 2 0 281.444 1.659 10 0 CDAERP C[C@@H]1C[C@H](C)[N@H+](CCc2ccc(C(N)=O)cc2)C[C@@H]1C[NH3+] ZINC000866667846 1164804856 /nfs/dbraw/zinc/80/48/56/1164804856.db2.gz ZYZGWXBAPNKZRJ-WWGRRREGSA-N 2 0 289.423 1.633 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)C1([NH+](C)C)CCCC1 ZINC001627143337 1165978487 /nfs/dbraw/zinc/97/84/87/1165978487.db2.gz WFHTYSWMSJYRQD-GFCCVEGCSA-N 2 0 255.406 1.317 10 0 CDAERP CN(CC[NH+]1CCCCC1)C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870950355 818006115 /nfs/dbraw/zinc/00/61/15/818006115.db2.gz IRDSLGUSTHZMTN-IPYPFGDCSA-N 2 0 265.401 1.058 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C2CCC(C(N)=O)CC2)C1 ZINC000925603330 818011935 /nfs/dbraw/zinc/01/19/35/818011935.db2.gz LYYQKCOZOKBDQM-POOIEITISA-N 2 0 267.417 1.526 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)C2(O)CCC2)C[C@@H]1C ZINC000929779096 818013541 /nfs/dbraw/zinc/01/35/41/818013541.db2.gz DHFZXRRIWVWWCK-MELADBBJSA-N 2 0 270.417 1.067 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]([NH3+])C2CC2)[C@H](C)C1 ZINC000844188453 818047795 /nfs/dbraw/zinc/04/77/95/818047795.db2.gz TZZUHDBNIVKSJM-BNOWGMLFSA-N 2 0 267.417 1.303 10 0 CDAERP C1C[C@H]([C@H]2COCCN2)[C@@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000261917092 818070724 /nfs/dbraw/zinc/07/07/24/818070724.db2.gz JQYQCPXMEIWUCP-UHDSXZAQSA-N 2 0 293.455 1.360 10 0 CDAERP CN(C)C(=O)CC[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000924882824 818107088 /nfs/dbraw/zinc/10/70/88/818107088.db2.gz ROPDXZUHHJTHTA-OLZOCXBDSA-N 2 0 253.390 1.071 10 0 CDAERP CNC(=O)C[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925689564 818124477 /nfs/dbraw/zinc/12/44/77/818124477.db2.gz SCZRWZVTDQIYJZ-UBHSHLNASA-N 2 0 267.417 1.269 10 0 CDAERP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCC1(OC)OC ZINC000925242274 818185585 /nfs/dbraw/zinc/18/55/85/818185585.db2.gz ZBXNMBKRZVTKOD-QWHCGFSZSA-N 2 0 274.405 1.084 10 0 CDAERP C[C@H]1CN(C(=[NH2+])NCc2cccc(C[NH+](C)C)c2)CCO1 ZINC000848991894 818211681 /nfs/dbraw/zinc/21/16/81/818211681.db2.gz RMFMAMILLNQQAV-ZDUSSCGKSA-N 2 0 290.411 1.493 10 0 CDAERP CC(C)[C@H](O)C1(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925636415 818244035 /nfs/dbraw/zinc/24/40/35/818244035.db2.gz RXCGUXJUNMIGAO-XQQFMLRXSA-N 2 0 252.402 1.643 10 0 CDAERP C[NH+]1CCC2(CCC[N@H+](C[C@H]3CCC4(COC4)O3)C2)CC1 ZINC000930309158 818262337 /nfs/dbraw/zinc/26/23/37/818262337.db2.gz GTQVAXUSHONDAO-OAHLLOKOSA-N 2 0 294.439 1.742 10 0 CDAERP COC/C(C)=C/CN1CCC(CO)([NH2+]C(C)C)CC1 ZINC000930614453 818286863 /nfs/dbraw/zinc/28/68/63/818286863.db2.gz ZBQDJUGLLPBSRF-LHHJGKSTSA-N 2 0 270.417 1.404 10 0 CDAERP C[C@@H]1C[N@@H+]([C@@H](C(N)=O)c2ccccc2)CC[C@H]1C[NH3+] ZINC000923499185 818298270 /nfs/dbraw/zinc/29/82/70/818298270.db2.gz LEWPDIYYODKJOE-KWCYVHTRSA-N 2 0 261.369 1.130 10 0 CDAERP CC(C)C[C@@H](CNC(=[NH2+])NC[C@@H]1CCCO1)[NH+]1CCCC1 ZINC000066245069 818302489 /nfs/dbraw/zinc/30/24/89/818302489.db2.gz IMHSYOKVIDXIGG-GJZGRUSLSA-N 2 0 296.459 1.580 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H](CNC(=[NH2+])N[C@H]2C[C@@H]2C)C1 ZINC000864460989 818325320 /nfs/dbraw/zinc/32/53/20/818325320.db2.gz KOAUFSSUAAIRIP-MJBXVCDLSA-N 2 0 266.433 1.877 10 0 CDAERP CC1(C)CC[NH2+]CCN1C(=O)CCCCCC[NH3+] ZINC000872289744 818330032 /nfs/dbraw/zinc/33/00/32/818330032.db2.gz BNSJMPFOYDOIDE-UHFFFAOYSA-N 2 0 255.406 1.496 10 0 CDAERP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000929842947 818368481 /nfs/dbraw/zinc/36/84/81/818368481.db2.gz FWGMRLSRWCSVDV-LXTVHRRPSA-N 2 0 280.412 1.602 10 0 CDAERP CCC1CCC([NH2+]CCN2CCC([NH3+])CC2)CC1 ZINC000925812207 818399494 /nfs/dbraw/zinc/39/94/94/818399494.db2.gz VRVWLJHDYCATQB-UHFFFAOYSA-N 2 0 253.434 1.968 10 0 CDAERP CC(C)N(C(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1)C(C)C ZINC000923501763 818402473 /nfs/dbraw/zinc/40/24/73/818402473.db2.gz VFYIQZSSHPEHOB-QLFBSQMISA-N 2 0 283.460 1.937 10 0 CDAERP C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714487471 818494629 /nfs/dbraw/zinc/49/46/29/818494629.db2.gz SDQSXLIDRPNXOH-LBPRGKRZSA-N 2 0 283.460 1.987 10 0 CDAERP OCCCSCC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925608815 818496891 /nfs/dbraw/zinc/49/68/91/818496891.db2.gz KKESLAHQKKCTBK-CABCVRRESA-N 2 0 286.485 1.860 10 0 CDAERP CCO[C@@H]1C[N@H+](C[C@H]2CC3(CCC3)CO2)C[C@H]1C[NH3+] ZINC000872145068 818564126 /nfs/dbraw/zinc/56/41/26/818564126.db2.gz OBFWYIMAUCNFFM-MGPQQGTHSA-N 2 0 268.401 1.241 10 0 CDAERP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](O)CCC2(O)CCC2)C1 ZINC000929747540 818585239 /nfs/dbraw/zinc/58/52/39/818585239.db2.gz FJIASZJFJDUSBL-HOTGVXAUSA-N 2 0 298.471 1.706 10 0 CDAERP CCO[C@@H](CC[NH+](C)C)CN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925539256 818595074 /nfs/dbraw/zinc/59/50/74/818595074.db2.gz AJZJRMALTNHMIB-LSDHHAIUSA-N 2 0 283.460 1.608 10 0 CDAERP CC(C)(C)c1nc(CN2CC[NH2+]CC[NH2+]CC2)cs1 ZINC000923462583 818651834 /nfs/dbraw/zinc/65/18/34/818651834.db2.gz LMIBZEWPGVZFKV-UHFFFAOYSA-N 2 0 282.457 1.435 10 0 CDAERP C[C@H](O)[C@@H](O)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000865738950 818700648 /nfs/dbraw/zinc/70/06/48/818700648.db2.gz QXPLNJBBCJPQRV-WFASDCNBSA-N 2 0 270.417 1.115 10 0 CDAERP CC[C@@H]1CCN(C(=[NH2+])NCCC[N@H+](C)C(C)C)C1 ZINC000864450651 818703494 /nfs/dbraw/zinc/70/34/94/818703494.db2.gz AWQLNTJYOOQPGX-CYBMUJFWSA-N 2 0 254.422 1.973 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000925802942 818713785 /nfs/dbraw/zinc/71/37/85/818713785.db2.gz KIRFVPMFCFBSNO-LJIZCISZSA-N 3 0 265.445 1.694 10 0 CDAERP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CC[NH2+]C(C)(C)C ZINC000251855772 818742282 /nfs/dbraw/zinc/74/22/82/818742282.db2.gz RYTXWHFPZYSTLH-KBPBESRZSA-N 2 0 281.444 1.850 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@H](O)CC(C)(C)O ZINC000872200863 818751314 /nfs/dbraw/zinc/75/13/14/818751314.db2.gz LRSQBCCZSCELIZ-LSDHHAIUSA-N 2 0 286.460 1.753 10 0 CDAERP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=[NH2+])N2CCO[C@H](C)C2)C1 ZINC000848988163 818783651 /nfs/dbraw/zinc/78/36/51/818783651.db2.gz JQHKBPOFTSIUFQ-RBSFLKMASA-N 2 0 296.459 1.599 10 0 CDAERP [NH3+]C[C@H]1Cc2ccccc2N(CCC[NH2+]C2CC2)C1 ZINC000923414330 818805203 /nfs/dbraw/zinc/80/52/03/818805203.db2.gz LDTBBXPFIZHRMJ-CYBMUJFWSA-N 2 0 259.397 1.766 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=[NH2+])N1CCSCC1 ZINC000849047495 818835511 /nfs/dbraw/zinc/83/55/11/818835511.db2.gz YVRROTXGZCSFBF-UHFFFAOYSA-N 2 0 272.462 1.537 10 0 CDAERP [NH3+][C@H]1CC[C@H](C(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000870926639 818875331 /nfs/dbraw/zinc/87/53/31/818875331.db2.gz KMXJRVSQXGEKBH-RBAFREBBSA-N 2 0 279.428 1.637 10 0 CDAERP [NH3+][C@H]1C[C@@H]([NH2+]CCOc2ncccc2Cl)C12CCC2 ZINC000925585891 818887377 /nfs/dbraw/zinc/88/73/77/818887377.db2.gz AYHOJBRETRINAO-NWDGAFQWSA-N 2 0 281.787 1.973 10 0 CDAERP CCC(C)(C)CC[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866713983 818897000 /nfs/dbraw/zinc/89/70/00/818897000.db2.gz CFJXLMCYGNIVQK-MCIONIFRSA-N 2 0 295.427 1.680 10 0 CDAERP C[C@H]1CC[C@@H](NC(=O)N(C)C2CCC([NH3+])CC2)C[NH2+]1 ZINC000861691296 818897295 /nfs/dbraw/zinc/89/72/95/818897295.db2.gz YXOZKFLASTYZAS-GMKTYKIGSA-N 2 0 268.405 1.038 10 0 CDAERP NC(=O)C[C@H]1CCCC[N@@H+]1CCCCCCC[NH3+] ZINC000842472126 818899824 /nfs/dbraw/zinc/89/98/24/818899824.db2.gz RRUQNSOYOHBJBX-CYBMUJFWSA-N 2 0 255.406 1.626 10 0 CDAERP C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2)CC[C@@H]1C[NH3+] ZINC000923498971 818953722 /nfs/dbraw/zinc/95/37/22/818953722.db2.gz JKZCIVSUMVKORN-RBSFLKMASA-N 2 0 278.396 1.343 10 0 CDAERP COCCN(CC1CC[NH+](C)CC1)C(=O)C[N@H+](C)C(C)C ZINC000869765578 818966953 /nfs/dbraw/zinc/96/69/53/818966953.db2.gz OISKRLGTFRTLCI-UHFFFAOYSA-N 2 0 299.459 1.143 10 0 CDAERP COCCC[NH+]1CCC(N[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925575987 818972130 /nfs/dbraw/zinc/97/21/30/818972130.db2.gz ICIWUPPIBYZGGN-ZBFHGGJFSA-N 2 0 297.487 1.983 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)C1 ZINC000715160205 819005705 /nfs/dbraw/zinc/00/57/05/819005705.db2.gz ZQFYZOOGEMKZPW-VWYCJHECSA-N 2 0 289.370 1.063 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872303415 819006040 /nfs/dbraw/zinc/00/60/40/819006040.db2.gz YXEVBFGXCZBBAE-CVEARBPZSA-N 2 0 289.423 1.930 10 0 CDAERP [NH3+]C[C@@H](NC(=O)CCC12CC(C1)C[NH2+]2)C1CCCCC1 ZINC000870936464 819010687 /nfs/dbraw/zinc/01/06/87/819010687.db2.gz JSDPGULXQBMJPW-CXOJTPOUSA-N 2 0 279.428 1.542 10 0 CDAERP C([C@H]1C[C@H]2CCC[C@@H]2O1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000720881711 819029094 /nfs/dbraw/zinc/02/90/94/819029094.db2.gz SGJHADLWQQFJDF-SEBNEYGDSA-N 2 0 250.386 1.628 10 0 CDAERP CCc1onc(C)c1C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000930498920 819036542 /nfs/dbraw/zinc/03/65/42/819036542.db2.gz ATXYVDOYXCTEEE-UHFFFAOYSA-N 2 0 296.459 1.861 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1CC[C@H](C2CC2)O1)[C@@H]1CCC[NH2+]C1 ZINC000722320011 819057519 /nfs/dbraw/zinc/05/75/19/819057519.db2.gz KRDXARRGVNFUEJ-PMOUVXMZSA-N 2 0 252.402 1.922 10 0 CDAERP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@@H]1CC2(CO1)CCOCC2 ZINC000872141279 819070371 /nfs/dbraw/zinc/07/03/71/819070371.db2.gz BISQIZMSLSJMOI-KBPBESRZSA-N 2 0 270.417 1.535 10 0 CDAERP CN1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCC1CC[NH2+]CC1 ZINC000720902120 819126074 /nfs/dbraw/zinc/12/60/74/819126074.db2.gz UGTZKQACXDSAPN-HZPDHXFCSA-N 2 0 265.445 1.935 10 0 CDAERP [NH2+]=C(NCCc1cccs1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000848992747 819172520 /nfs/dbraw/zinc/17/25/20/819172520.db2.gz RTCBVZUWXHLTRC-LBPRGKRZSA-N 2 0 292.452 1.889 10 0 CDAERP CC(=O)NCC1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000865416973 819250163 /nfs/dbraw/zinc/25/01/63/819250163.db2.gz SMZMQMOXSNMCCT-GQGLESIBSA-N 2 0 293.455 1.898 10 0 CDAERP CC1(C)CO[C@H](CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000717334386 819287438 /nfs/dbraw/zinc/28/74/38/819287438.db2.gz ZIYJGZPBPUVUFT-MZHQWRCYSA-N 2 0 264.413 1.778 10 0 CDAERP CC(C)[NH2+]CC(=O)N1c2ccccc2[C@H]([NH3+])C1(C)C ZINC000867987729 819294509 /nfs/dbraw/zinc/29/45/09/819294509.db2.gz PLHADXTUSXQARG-AWEZNQCLSA-N 2 0 261.369 1.810 10 0 CDAERP c1cc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)sn1 ZINC000709914924 819339939 /nfs/dbraw/zinc/33/99/39/819339939.db2.gz HHHZXLQQCCYNEE-NEPJUHHUSA-N 2 0 251.399 1.902 10 0 CDAERP C[C@H]1C[C@H](N(C)C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])CC[N@@H+]1C ZINC000872285758 819342490 /nfs/dbraw/zinc/34/24/90/819342490.db2.gz GEKTWEDUZFKWJV-YJNKXOJESA-N 2 0 281.444 1.835 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CC[C@H]2CCOC2=O)[C@@H](C)C1 ZINC000246301705 819361447 /nfs/dbraw/zinc/36/14/47/819361447.db2.gz BEHUKGBDAMYIDS-IHRRRGAJSA-N 2 0 268.401 1.602 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCC3(C2)CC[NH2+]CC3)C1 ZINC000848605307 819362300 /nfs/dbraw/zinc/36/23/00/819362300.db2.gz LKOGHFRUIQKIKO-OKILXGFUSA-N 2 0 294.443 1.112 10 0 CDAERP C[C@@H](CNC(=[NH2+])NCCC1CC1)C[NH+]1CCCC1 ZINC000864454797 819375991 /nfs/dbraw/zinc/37/59/91/819375991.db2.gz VJYRGUKLGZDSSA-LBPRGKRZSA-N 2 0 252.406 1.632 10 0 CDAERP COC(=O)[C@]1(F)CC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923390262 819379256 /nfs/dbraw/zinc/37/92/56/819379256.db2.gz VCEYKBAXKYMELZ-FLTXBFBQSA-N 2 0 284.375 1.494 10 0 CDAERP CCc1onc(C)c1C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000923428194 819407128 /nfs/dbraw/zinc/40/71/28/819407128.db2.gz GLRNYMJMCAYPDO-ZYHUDNBSSA-N 2 0 251.374 1.962 10 0 CDAERP C[NH+](C)CC1(O)CCN(Cc2nc3ccccc3o2)CC1 ZINC000931486323 819436867 /nfs/dbraw/zinc/43/68/67/819436867.db2.gz CEUMAFFZNMMSCJ-UHFFFAOYSA-N 2 0 289.379 1.716 10 0 CDAERP c1[nH+]cn2ccc(-c3noc([C@@H]4CCC[NH2+]C4)n3)cc12 ZINC000823164523 819565246 /nfs/dbraw/zinc/56/52/46/819565246.db2.gz TXKSFJBOOBBUKJ-LLVKDONJSA-N 2 0 269.308 1.851 10 0 CDAERP CC[N@H+](CCc1ccccc1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923307695 819816579 /nfs/dbraw/zinc/81/65/79/819816579.db2.gz ZFKXJWHNOVCEDZ-INIZCTEOSA-N 2 0 274.408 1.930 10 0 CDAERP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NCC1CC[NH+](C)CC1 ZINC000713070745 819828124 /nfs/dbraw/zinc/82/81/24/819828124.db2.gz SZZICXWMNZTYCK-CYBMUJFWSA-N 2 0 269.433 1.454 10 0 CDAERP C[C@H]1CN(CC[NH+]2CCCC2)CCN1c1cc[nH+]cc1 ZINC000931684768 819836538 /nfs/dbraw/zinc/83/65/38/819836538.db2.gz VCEVJVFXOFAVAK-HNNXBMFYSA-N 2 0 274.412 1.688 10 0 CDAERP C([C@H]1C[C@H]2CCC[C@H]2O1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000720881709 819847658 /nfs/dbraw/zinc/84/76/58/819847658.db2.gz SGJHADLWQQFJDF-ARILJUKYSA-N 2 0 250.386 1.628 10 0 CDAERP [NH3+]C1(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)CCOCC1 ZINC000863541850 819865216 /nfs/dbraw/zinc/86/52/16/819865216.db2.gz PZXQAZBNNDKHBT-WOPDTQHZSA-N 2 0 288.482 1.464 10 0 CDAERP C[C@@H](CC(N)=O)[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925817870 819878980 /nfs/dbraw/zinc/87/89/80/819878980.db2.gz SFKIVNMSTFUREJ-LBPRGKRZSA-N 2 0 255.406 1.400 10 0 CDAERP [NH3+]CC12CCC(CC1)CN2C(=O)CCCC[NH+]1CCCC1 ZINC000846680606 819886388 /nfs/dbraw/zinc/88/63/88/819886388.db2.gz SCSPSMWMZMRYIB-UHFFFAOYSA-N 2 0 293.455 1.982 10 0 CDAERP C[NH+](C)CCCOC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000811444597 819887106 /nfs/dbraw/zinc/88/71/06/819887106.db2.gz JHBZLUBWFYECEB-CQSZACIVSA-N 2 0 274.380 1.694 10 0 CDAERP C(C[C@H]1CCC[NH2+]1)[NH2+]C1CCC2(CC1)OCCO2 ZINC000817968196 819891453 /nfs/dbraw/zinc/89/14/53/819891453.db2.gz HJWHPVIBRNGDHL-GFCCVEGCSA-N 2 0 254.374 1.404 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@](C)(O)c1ccc(F)cc1 ZINC000817918766 819944237 /nfs/dbraw/zinc/94/42/37/819944237.db2.gz XGFIQGHEUPVIJQ-LSDHHAIUSA-N 2 0 284.375 1.377 10 0 CDAERP Cc1cccc(NCC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)n1 ZINC000925578221 820054711 /nfs/dbraw/zinc/05/47/11/820054711.db2.gz ATJKEBNOSZWZMA-CHWSQXEVSA-N 2 0 260.385 1.661 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)[C@H]2CCC[C@@H]21 ZINC000925879954 820062440 /nfs/dbraw/zinc/06/24/40/820062440.db2.gz NAADFAWJRFVTMY-SEBNEYGDSA-N 3 0 251.418 1.576 10 0 CDAERP COC(=O)N1CCC([NH2+]C[C@@H]2CCN2C2CCCC2)CC1 ZINC000858285126 820164305 /nfs/dbraw/zinc/16/43/05/820164305.db2.gz GXCPCUMJYIQFEB-HNNXBMFYSA-N 2 0 295.427 1.824 10 0 CDAERP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000720902661 820326215 /nfs/dbraw/zinc/32/62/15/820326215.db2.gz VAZDVLAHMJILID-XUXIUFHCSA-N 2 0 265.401 1.199 10 0 CDAERP C[C@H](C(=O)N1CCC(C)CC1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923513051 820391861 /nfs/dbraw/zinc/39/18/61/820391861.db2.gz CPYQZSYYPKKYNT-MGPQQGTHSA-N 2 0 267.417 1.160 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857865120 820446239 /nfs/dbraw/zinc/44/62/39/820446239.db2.gz LGQAABGGFWPKTJ-CQSZACIVSA-N 2 0 280.416 1.735 10 0 CDAERP C[C@H]1C[N@H+](Cc2cc(=O)n3ccsc3n2)CC[C@H]1C[NH3+] ZINC000923502594 820560132 /nfs/dbraw/zinc/56/01/32/820560132.db2.gz CHKNNVQVEGEHBC-QWRGUYRKSA-N 2 0 292.408 1.173 10 0 CDAERP c1[nH]nc2c1[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@@H]3C1)CCC2 ZINC000817986403 820603621 /nfs/dbraw/zinc/60/36/21/820603621.db2.gz LRJBBKYKWSPLBV-CIQGVGRVSA-N 2 0 260.385 1.765 10 0 CDAERP O=C(CC[NH2+]CC1CC1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000870951404 820634146 /nfs/dbraw/zinc/63/41/46/820634146.db2.gz RZWHLRWTPYDKKH-INIZCTEOSA-N 2 0 293.455 1.614 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@]1(C(F)(F)F)CCCN1 ZINC000925855033 820800478 /nfs/dbraw/zinc/80/04/78/820800478.db2.gz NPIXMSKGQBKPIX-GUBZILKMSA-N 2 0 253.312 1.386 10 0 CDAERP C[C@H]([NH2+]CCOCC[NH+](C)C)c1ccnn1C1CCC1 ZINC000926254107 820811618 /nfs/dbraw/zinc/81/16/18/820811618.db2.gz KPXFPRIZKNLMCG-ZDUSSCGKSA-N 2 0 280.416 1.837 10 0 CDAERP CO[C@H]1CCC[C@H]([NH2+]CCOCC[NH+](C)C)CC1 ZINC000718784949 820816740 /nfs/dbraw/zinc/81/67/40/820816740.db2.gz BDLYEROKKSCGIG-KBPBESRZSA-N 2 0 258.406 1.502 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)[C@H]2CCC[C@@H]21 ZINC000848573540 820832215 /nfs/dbraw/zinc/83/22/15/820832215.db2.gz IGKDRSRCAUEFHM-KBXIAJHMSA-N 2 0 293.411 1.432 10 0 CDAERP CC1(C)[C@H]([NH3+])c2ccccc2N1C[C@@H]1C[NH2+]CCO1 ZINC000866700850 820850326 /nfs/dbraw/zinc/85/03/26/820850326.db2.gz ABYAQQVXDLBSOD-SMDDNHRTSA-N 2 0 261.369 1.273 10 0 CDAERP C[NH+](C)C1(C)CC[NH+](CC2(O)CCSCC2)CC1 ZINC000931354670 820876540 /nfs/dbraw/zinc/87/65/40/820876540.db2.gz MESOVJBJFSSADC-UHFFFAOYSA-N 2 0 272.458 1.661 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925718225 820884226 /nfs/dbraw/zinc/88/42/26/820884226.db2.gz NEGSBLCQWZBLDG-HUUCEWRRSA-N 3 0 269.433 1.110 10 0 CDAERP Cc1csc(=O)n1CC[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923497331 820888840 /nfs/dbraw/zinc/88/88/40/820888840.db2.gz BMSGSKDIHLYOEK-ZYHUDNBSSA-N 2 0 269.414 1.135 10 0 CDAERP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]C1CCC2(CC1)OCCO2 ZINC000715754017 820889258 /nfs/dbraw/zinc/88/92/58/820889258.db2.gz JQYUICSUSIYQPH-YPMHNXCESA-N 2 0 254.374 1.389 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000235265403 820917914 /nfs/dbraw/zinc/91/79/14/820917914.db2.gz PBOYVOAQEOUSJT-CBBWQLFWSA-N 2 0 251.418 1.401 10 0 CDAERP C[NH+](C)CC1(O)CC[NH+](C[C@H](O)CC2CCCC2)CC1 ZINC000710571343 821067759 /nfs/dbraw/zinc/06/77/59/821067759.db2.gz UQECCOPLHGVSJN-OAHLLOKOSA-N 2 0 284.444 1.316 10 0 CDAERP COCC[N@H+](CC1CC[NH+](C)CC1)C[C@@H]1CCC[NH2+]C1 ZINC000866672547 821077563 /nfs/dbraw/zinc/07/75/63/821077563.db2.gz KXSGLVDOCOSGBP-MRXNPFEDSA-N 3 0 283.460 1.276 10 0 CDAERP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)C1CCSCC1 ZINC000925813169 821087973 /nfs/dbraw/zinc/08/79/73/821087973.db2.gz RUKDPWAGCPVVRE-LBPRGKRZSA-N 2 0 271.474 1.531 10 0 CDAERP CCOC(=O)N1CC[C@H]([NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925639487 821094539 /nfs/dbraw/zinc/09/45/39/821094539.db2.gz CDVQYBNFYRSNFQ-AVGNSLFASA-N 2 0 283.416 1.713 10 0 CDAERP C[N@H+](C[C@H]1COc2ccccc2O1)[C@@H]1CCC[NH2+]CC1 ZINC000226466257 821119749 /nfs/dbraw/zinc/11/97/49/821119749.db2.gz XLJFIQMFCQHNAU-KGLIPLIRSA-N 2 0 276.380 1.900 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccnc(F)c2)CC1 ZINC000858097759 821311812 /nfs/dbraw/zinc/31/18/12/821311812.db2.gz YEQZQKSTMGTVJS-CYBMUJFWSA-N 2 0 280.391 1.336 10 0 CDAERP O[C@@H](CN[C@@H]1CC[NH2+]C12CCC2)CC1CCCC1 ZINC000923397802 821343776 /nfs/dbraw/zinc/34/37/76/821343776.db2.gz FDLZVJXALGOSHR-ZIAGYGMSSA-N 2 0 252.402 1.802 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)C(C)(C)[C@@H]([NH3+])C(C)C)CC1 ZINC000713010885 821364528 /nfs/dbraw/zinc/36/45/28/821364528.db2.gz XBEUGHQQYXTBPN-AWEZNQCLSA-N 2 0 283.460 1.796 10 0 CDAERP [NH3+]Cc1cccc(NC(=O)CCC23CC(C2)C[NH2+]3)c1 ZINC000870932689 821368052 /nfs/dbraw/zinc/36/80/52/821368052.db2.gz IGKKOWHZYJTTDP-UHFFFAOYSA-N 2 0 259.353 1.616 10 0 CDAERP C(C[NH2+]C1CC1)CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000923364287 821434098 /nfs/dbraw/zinc/43/40/98/821434098.db2.gz LTCJSQDPRCHHON-UKRRQHHQSA-N 2 0 251.418 1.593 10 0 CDAERP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)C(C)(C)CO)CC1 ZINC000924947868 821444726 /nfs/dbraw/zinc/44/47/26/821444726.db2.gz BMLNEKUKVQVKTD-GJZGRUSLSA-N 2 0 285.476 1.257 10 0 CDAERP CC(C)C[N@H+](CC1CC[NH+](C)CC1)C[C@H]1CNCCO1 ZINC000866718327 821481004 /nfs/dbraw/zinc/48/10/04/821481004.db2.gz ZWQJCMWNBUBTLK-MRXNPFEDSA-N 2 0 283.460 1.275 10 0 CDAERP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000925732910 821627952 /nfs/dbraw/zinc/62/79/52/821627952.db2.gz GZDYJZFHSYYFGD-MELADBBJSA-N 2 0 252.402 1.779 10 0 CDAERP CC1(C)[C@H](NC[C@H]2CCC[N@@H+]2CCCO)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925678418 821715424 /nfs/dbraw/zinc/71/54/24/821715424.db2.gz DWXKPRZYUVDDBE-LVQVYYBASA-N 2 0 295.471 1.199 10 0 CDAERP C[C@H]1c2ccccc2C[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000852469493 821820354 /nfs/dbraw/zinc/82/03/54/821820354.db2.gz HJSYPRRYASUDED-YSVLISHTSA-N 2 0 274.408 1.761 10 0 CDAERP OCC1(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC2(CCC2)C1 ZINC000925653836 821836041 /nfs/dbraw/zinc/83/60/41/821836041.db2.gz OSRYZVQSXSDRBT-BTFPBAQTSA-N 2 0 276.424 1.515 10 0 CDAERP CN(C[C@H]1CC[C@@H](C(F)(F)F)O1)C1(C[NH3+])CCC1 ZINC000721460106 821871185 /nfs/dbraw/zinc/87/11/85/821871185.db2.gz RAIZOPCUPDWLFY-ZJUUUORDSA-N 2 0 266.307 1.910 10 0 CDAERP CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)nc1 ZINC000923496831 821874919 /nfs/dbraw/zinc/87/49/19/821874919.db2.gz BWEVSLLYZGLTQH-STQMWFEESA-N 2 0 263.385 1.897 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000037821676 821882504 /nfs/dbraw/zinc/88/25/04/821882504.db2.gz DLYMVJJIFSAPNC-UHFFFAOYSA-N 2 0 275.396 1.559 10 0 CDAERP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000926541107 821895686 /nfs/dbraw/zinc/89/56/86/821895686.db2.gz KSXSGWXTSLMKOT-RWFPKWESSA-N 2 0 252.402 1.872 10 0 CDAERP C[N@H+](CCCOC(F)(F)F)[C@H]1CCC[NH2+]CC1 ZINC000713403889 821989760 /nfs/dbraw/zinc/98/97/60/821989760.db2.gz GQPCUXBOVJROBQ-JTQLQIEISA-N 2 0 254.296 1.987 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCNc2cnccn2)C1 ZINC000925554500 822005735 /nfs/dbraw/zinc/00/57/35/822005735.db2.gz BCKBHRQQHOQDQH-VXGBXAGGSA-N 2 0 263.389 1.384 10 0 CDAERP CC[N@@H+]1CC[C@H](N[C@H]2CC[NH+](CC(C)(C)O)C2)[C@@H](C)C1 ZINC000866411484 822092958 /nfs/dbraw/zinc/09/29/58/822092958.db2.gz NHMZKJWMXFDWCC-KKUMJFAQSA-N 2 0 283.460 1.152 10 0 CDAERP C[C@H]1C[C@@H](C[NH+]2CCC(N3CCCOCC3)CC2)CCO1 ZINC000931287929 822099521 /nfs/dbraw/zinc/09/95/21/822099521.db2.gz XHHPACGUQDEDIF-HOTGVXAUSA-N 2 0 296.455 1.988 10 0 CDAERP C[NH2+]C(C)(C)CNC(=O)Nc1cccc(OCC[NH3+])c1 ZINC000841286158 822147707 /nfs/dbraw/zinc/14/77/07/822147707.db2.gz OTXCGPTUQPXRNT-UHFFFAOYSA-N 2 0 280.372 1.144 10 0 CDAERP O=C1CC[N@H+](C[C@H]2CCC[NH2+]C2)CCCCCCN1 ZINC000866683558 822178683 /nfs/dbraw/zinc/17/86/83/822178683.db2.gz DEZRGBUWZPUIGX-AWEZNQCLSA-N 2 0 267.417 1.368 10 0 CDAERP [NH3+]C[C@H](NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)C1CCCCC1 ZINC000870936566 822300364 /nfs/dbraw/zinc/30/03/64/822300364.db2.gz MQWAOUWYDIHZQQ-OSFYFWSMSA-N 2 0 265.401 1.138 10 0 CDAERP C[C@@H](C(=O)Nc1nccs1)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923495867 822309857 /nfs/dbraw/zinc/30/98/57/822309857.db2.gz FUHZHNZWWIJTHB-VWYCJHECSA-N 2 0 282.413 1.387 10 0 CDAERP CCOC[C@H](O)C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923509200 822358485 /nfs/dbraw/zinc/35/84/85/822358485.db2.gz YMYATHDBJQXKHI-GOEBONIOSA-N 2 0 284.444 1.486 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000851660864 822372716 /nfs/dbraw/zinc/37/27/16/822372716.db2.gz ATQWDJKJIFFHRL-OAHLLOKOSA-N 2 0 292.427 1.360 10 0 CDAERP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](CCCC2CCC2)C1 ZINC000866712780 822381113 /nfs/dbraw/zinc/38/11/13/822381113.db2.gz XERAXNJHMRZUNC-QLFBSQMISA-N 2 0 293.411 1.434 10 0 CDAERP c1coc(-c2nc(CN3CC[NH2+]CC[NH2+]CC3)cs2)c1 ZINC000923462213 822386488 /nfs/dbraw/zinc/38/64/88/822386488.db2.gz DQPYCZUGIYVGIZ-UHFFFAOYSA-N 2 0 292.408 1.398 10 0 CDAERP C[NH2+][C@@H](C)Cc1noc([C@]23CCC[C@H]2[NH2+]CC3)n1 ZINC000871789705 822401937 /nfs/dbraw/zinc/40/19/37/822401937.db2.gz YDAICWRPMCDAPE-CWSCBRNRSA-N 2 0 250.346 1.004 10 0 CDAERP C[C@@H]1C[C@H]1NC(=[NH2+])NCC(C)(C)C[NH+]1CCCC1 ZINC000864464474 822474130 /nfs/dbraw/zinc/47/41/30/822474130.db2.gz CZRQBLYZBYCBGY-VXGBXAGGSA-N 2 0 252.406 1.631 10 0 CDAERP OC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925691073 822538028 /nfs/dbraw/zinc/53/80/28/822538028.db2.gz LPJPAYPEXMUHFY-HZSPNIEDSA-N 2 0 252.402 1.802 10 0 CDAERP Cc1cncn1CC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000858654528 822540340 /nfs/dbraw/zinc/54/03/40/822540340.db2.gz PYEJPMFGRSVDHY-UHFFFAOYSA-N 2 0 278.400 1.571 10 0 CDAERP CC[NH+](CC)C[C@H](C)N[C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261954480 822567879 /nfs/dbraw/zinc/56/78/79/822567879.db2.gz OUQUNAZAHIOOKQ-JJXSEGSLSA-N 2 0 283.460 1.463 10 0 CDAERP [NH3+]CCCCCC[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000843127963 822575230 /nfs/dbraw/zinc/57/52/30/822575230.db2.gz GKKMMVQKTRTOOW-UHFFFAOYSA-N 2 0 289.379 1.391 10 0 CDAERP C[NH+](C)C1(C)CCC([NH2+]C[C@](C)(O)C(F)F)CC1 ZINC000715235645 822579833 /nfs/dbraw/zinc/57/98/33/822579833.db2.gz PPQQIDSJUVZOGX-GDKBPFBDSA-N 2 0 264.360 1.855 10 0 CDAERP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000923375351 822585868 /nfs/dbraw/zinc/58/58/68/822585868.db2.gz KNALZMFQYFMTGW-CVEARBPZSA-N 3 0 281.444 1.347 10 0 CDAERP CCC(CC)[C@H](CNC(=[NH2+])N[C@@H]1C[C@@H]1C)[NH+](C)C ZINC000864450064 822618083 /nfs/dbraw/zinc/61/80/83/822618083.db2.gz DEABIGQLGVMGTP-UHTWSYAYSA-N 2 0 254.422 1.875 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000354922853 1167338818 /nfs/dbraw/zinc/33/88/18/1167338818.db2.gz OCODLMTYXLINHH-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)=CC[N@@H+](C)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001570748028 1167583595 /nfs/dbraw/zinc/58/35/95/1167583595.db2.gz QJOPLOKETVFHAN-CQSZACIVSA-N 2 0 279.428 1.485 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001565878038 1168064649 /nfs/dbraw/zinc/06/46/49/1168064649.db2.gz CKQSDIIVJJYYAK-KKUMJFAQSA-N 2 0 279.428 1.389 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CC[C@H]2C[C@@H](C)C[N@@H+]2C1 ZINC001646941287 1168273301 /nfs/dbraw/zinc/27/33/01/1168273301.db2.gz AIEVUCLZCNATND-QXSJWSMHSA-N 2 0 295.471 1.953 10 0 CDAERP CC[N@H+](CCCNC(=O)C[NH+]1CC[C@@H](C)C1)CC1CC1 ZINC001566564959 1168336382 /nfs/dbraw/zinc/33/63/82/1168336382.db2.gz JVYWVYIBYUDXDB-CQSZACIVSA-N 2 0 281.444 1.566 10 0 CDAERP CCC[N@H+](C)CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001567324482 1168679222 /nfs/dbraw/zinc/67/92/22/1168679222.db2.gz PYHLHBJDEKVIHN-BETUJISGSA-N 2 0 255.406 1.317 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001266352773 894519113 /nfs/dbraw/zinc/51/91/13/894519113.db2.gz HODFDLPPBOTUTL-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC1CCC1 ZINC001266718222 895904902 /nfs/dbraw/zinc/90/49/02/895904902.db2.gz HKZFSKTWDGDPMJ-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC[C@H]1CC(=O)N(C)C1 ZINC000723551990 895994449 /nfs/dbraw/zinc/99/44/49/895994449.db2.gz KFNWJARNPUFYFT-ILXRZTDVSA-N 2 0 281.444 1.755 10 0 CDAERP CN(CC[NH2+]Cc1ccns1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001267391359 897851557 /nfs/dbraw/zinc/85/15/57/897851557.db2.gz HXXJNSPPEIAINY-CYBMUJFWSA-N 2 0 296.440 1.175 10 0 CDAERP CC(C)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001267456017 897932254 /nfs/dbraw/zinc/93/22/54/897932254.db2.gz JWRDFSJUIROFSX-HUUCEWRRSA-N 2 0 283.460 1.811 10 0 CDAERP CN(CC[NH2+]CC1CC1)C(=O)CC[NH+]1CCCCC1 ZINC001267472985 898092607 /nfs/dbraw/zinc/09/26/07/898092607.db2.gz DNFJABDHTSTCQG-UHFFFAOYSA-N 2 0 267.417 1.320 10 0 CDAERP CCCC[NH2+]CCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001481242171 899589256 /nfs/dbraw/zinc/58/92/56/899589256.db2.gz GLELEWDIKKMXOU-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP CC(C)=CC[NH2+]CCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001481245601 899624847 /nfs/dbraw/zinc/62/48/47/899624847.db2.gz KXEIYJDXUXMIFM-UHFFFAOYSA-N 2 0 293.455 1.877 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC2(C[NH2+]CCF)CCCC2)C1 ZINC001267845107 899855408 /nfs/dbraw/zinc/85/54/08/899855408.db2.gz QYTOMJFGLOMLNX-CYBMUJFWSA-N 2 0 285.407 1.316 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCF ZINC001267959302 900079278 /nfs/dbraw/zinc/07/92/78/900079278.db2.gz WNCFJVBYFAPIQT-CABCVRRESA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001267970505 900121116 /nfs/dbraw/zinc/12/11/16/900121116.db2.gz RZHRXYFRPIYWFI-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP CC1CC(C[N@@H+]2CC[C@@H](CCNC(=O)CC[NH+](C)C)C2)C1 ZINC001481446915 900690190 /nfs/dbraw/zinc/69/01/90/900690190.db2.gz LAWZLXFKNDZJKO-HWOWSKLDSA-N 2 0 295.471 1.812 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CC[C@@H](C[NH+](C)CCF)C2)CC[N@@H+]1C ZINC001481497633 900926990 /nfs/dbraw/zinc/92/69/90/900926990.db2.gz NYEQJEGKUHIPSU-KKUMJFAQSA-N 2 0 299.434 1.467 10 0 CDAERP CC(C)O[C@@]1(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)CCOC1 ZINC000722357542 901024161 /nfs/dbraw/zinc/02/41/61/901024161.db2.gz WSUMUVPCIDNOHA-GOEBONIOSA-N 2 0 284.444 1.890 10 0 CDAERP CCC/C=C/CC[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001481638088 901572916 /nfs/dbraw/zinc/57/29/16/901572916.db2.gz DJLGGRFFVRZXMQ-SQRWCISFSA-N 2 0 293.455 1.875 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CC[NH+](C)C ZINC001268286434 901747846 /nfs/dbraw/zinc/74/78/46/901747846.db2.gz KVABZPPXQKASLL-HUUCEWRRSA-N 2 0 283.460 1.859 10 0 CDAERP CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001268293741 901768749 /nfs/dbraw/zinc/76/87/49/901768749.db2.gz GXLFSENZCAFFIW-ZIAGYGMSSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@@H]1CC[N@H+](C[C@H](O)CC2CCCC2)C[C@H]1C[NH3+] ZINC000300072643 901885288 /nfs/dbraw/zinc/88/52/88/901885288.db2.gz SPQTUNCLTDWPDK-BPLDGKMQSA-N 2 0 254.418 1.844 10 0 CDAERP CC[N@H+](C)CCC(=O)NC1C[NH+](CCC(C)C)C1 ZINC001268467653 902216626 /nfs/dbraw/zinc/21/66/26/902216626.db2.gz XHBLFYSAULXWRF-UHFFFAOYSA-N 2 0 255.406 1.175 10 0 CDAERP CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC1CC(C)C1 ZINC001481867998 902245501 /nfs/dbraw/zinc/24/55/01/902245501.db2.gz CXSVZBXYFAPASW-YMAMQOFZSA-N 2 0 293.455 1.613 10 0 CDAERP C[C@@H](C[NH2+]CC1CCCC1)NC(=O)C[NH+]1CCCC1 ZINC001268714806 903001973 /nfs/dbraw/zinc/00/19/73/903001973.db2.gz DGQDUUBKBLQWHQ-ZDUSSCGKSA-N 2 0 267.417 1.367 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCOCC)C[C@H]1C ZINC001269980573 904247957 /nfs/dbraw/zinc/24/79/57/904247957.db2.gz HBUFEWMCVBXABH-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP C[NH+](C)CCCC(=O)N1CC[C@H](CC[NH2+]CCF)C1 ZINC001280171971 904390194 /nfs/dbraw/zinc/39/01/94/904390194.db2.gz BJKAMOQSNCOEFO-ZDUSSCGKSA-N 2 0 273.396 1.126 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCCF ZINC001270250266 904476097 /nfs/dbraw/zinc/47/60/97/904476097.db2.gz RLUDEQDAGRNQPJ-KGLIPLIRSA-N 2 0 285.407 1.411 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001270458689 904654304 /nfs/dbraw/zinc/65/43/04/904654304.db2.gz VCQBAGWFZICMAS-KGLIPLIRSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)[C@H](C(=O)NC[C@@H](C)C[NH2+]C/C=C\Cl)[NH+](C)C ZINC001270508883 904687692 /nfs/dbraw/zinc/68/76/92/904687692.db2.gz VLQMWBBIAAUEDM-ASOISWSRSA-N 2 0 289.851 1.667 10 0 CDAERP CC(C)=CC[NH+]1CC(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001567850173 1169016699 /nfs/dbraw/zinc/01/66/99/1169016699.db2.gz YBQPHZKPCFDEAH-UHFFFAOYSA-N 2 0 267.417 1.341 10 0 CDAERP C[C@]1(C[NH2+]CCF)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001270726091 904991774 /nfs/dbraw/zinc/99/17/74/904991774.db2.gz AKCZCFHJKKRGCV-GDBMZVCRSA-N 2 0 297.418 1.126 10 0 CDAERP C[NH+]1CCN(c2cc[nH+]cc2NCc2cc[nH]c(=O)c2)CC1 ZINC000921927542 921127293 /nfs/dbraw/zinc/12/72/93/921127293.db2.gz MLSREYPWXIPRNE-UHFFFAOYSA-N 2 0 299.378 1.546 10 0 CDAERP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1[NH2+]CCCF ZINC001271460304 906463974 /nfs/dbraw/zinc/46/39/74/906463974.db2.gz ZOFCVUXHINGVAL-ZIAGYGMSSA-N 2 0 285.407 1.268 10 0 CDAERP Cc1oncc1C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001482817584 908405718 /nfs/dbraw/zinc/40/57/18/908405718.db2.gz YVFRSLAHKOGLLN-BXUZGUMPSA-N 2 0 294.399 1.062 10 0 CDAERP CC[C@H](C)C[NH2+]CC[C@@H](C)NC(=O)Cn1cncc1C ZINC001482853664 908431545 /nfs/dbraw/zinc/43/15/45/908431545.db2.gz QBLMMTKZPNCHLV-QWHCGFSZSA-N 2 0 280.416 1.722 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]C(C)C ZINC001567959185 1169093774 /nfs/dbraw/zinc/09/37/74/1169093774.db2.gz YCBJPRNPZVHCOM-FRRDWIJNSA-N 2 0 255.406 1.219 10 0 CDAERP CCCCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001483241481 910719274 /nfs/dbraw/zinc/71/92/74/910719274.db2.gz ZNVLQHCBZSHFPG-UONOGXRCSA-N 2 0 269.433 1.755 10 0 CDAERP CC(C)C[NH2+]C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001483240802 910719833 /nfs/dbraw/zinc/71/98/33/910719833.db2.gz UZAIXYSOVPASOE-AWEZNQCLSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@H](C[N@H+](C)CC1CC(C)(C)C1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001483417506 911089808 /nfs/dbraw/zinc/08/98/08/911089808.db2.gz LROBPVJERDFPAU-UKRRQHHQSA-N 2 0 295.471 1.811 10 0 CDAERP Cc1nccn1CC(=O)N(C)CCC[NH2+]CC1CCC1 ZINC001483510570 911211462 /nfs/dbraw/zinc/21/14/62/911211462.db2.gz ORRMQROUDPPGEI-UHFFFAOYSA-N 2 0 278.400 1.430 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CC[NH+](C)[C@H]1C ZINC000922519024 921650181 /nfs/dbraw/zinc/65/01/81/921650181.db2.gz KWKPLNBHUKMTPY-RDBSUJKOSA-N 2 0 284.448 1.499 10 0 CDAERP CC(C)C[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001483605786 911312367 /nfs/dbraw/zinc/31/23/67/911312367.db2.gz SFTWIJCJZFISHF-AWEZNQCLSA-N 2 0 267.417 1.223 10 0 CDAERP CC[C@@H](C(=O)NCc1ccc(C[NH2+]CCF)cc1)[NH+](C)C ZINC001568121684 1169140561 /nfs/dbraw/zinc/14/05/61/1169140561.db2.gz KBDQHSFIRHPYIS-HNNXBMFYSA-N 2 0 295.402 1.702 10 0 CDAERP CC[C@H](C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCC1)OC ZINC001484662672 916011274 /nfs/dbraw/zinc/01/12/74/916011274.db2.gz QJFAWAKBZUEDTR-CQSZACIVSA-N 2 0 297.443 1.136 10 0 CDAERP CC[C@@H](C[NH2+]C1(C)CCN(C(=O)CC[NH+](C)C)CC1)OC ZINC001484921370 916274943 /nfs/dbraw/zinc/27/49/43/916274943.db2.gz SHXCDFXONOXDCM-AWEZNQCLSA-N 2 0 299.459 1.334 10 0 CDAERP CCC(CC)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001366102966 916390085 /nfs/dbraw/zinc/39/00/85/916390085.db2.gz NUYXSNBETCFQSW-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@H]1C[N@H+](C)CCCOC)[NH+](C)C ZINC001485079331 916462365 /nfs/dbraw/zinc/46/23/65/916462365.db2.gz XBEINOOHFDLFTB-LSDHHAIUSA-N 2 0 299.459 1.286 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@H](C)[NH2+]CCC(F)(F)F ZINC001485205393 916670917 /nfs/dbraw/zinc/67/09/17/916670917.db2.gz BJDJGSBEEVYHBP-WDEREUQCSA-N 2 0 297.365 1.763 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001485225024 916681453 /nfs/dbraw/zinc/68/14/53/916681453.db2.gz HCDAZAVYXCQJQU-KGLIPLIRSA-N 2 0 267.417 1.531 10 0 CDAERP C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1C[NH+](CC2CCC2)C1 ZINC001485525380 917062761 /nfs/dbraw/zinc/06/27/61/917062761.db2.gz FVKGKEYJXUTYFM-KGLIPLIRSA-N 2 0 293.455 1.565 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@H]1C[N@H+](CC2CCC2)CC1(C)C ZINC001485577649 917105816 /nfs/dbraw/zinc/10/58/16/917105816.db2.gz PKRAYMRFOLAHEW-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@@H+]1C[C@@]2(C)CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@]2(C)C1 ZINC001485668892 917161103 /nfs/dbraw/zinc/16/11/03/917161103.db2.gz JBPRYOCYIFEQLI-IYBDPMFKSA-N 2 0 293.455 1.519 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]C(C)C)C1 ZINC001485703133 917208258 /nfs/dbraw/zinc/20/82/58/917208258.db2.gz QHZARUUUUXKLKH-HDJSIYSDSA-N 2 0 269.433 1.611 10 0 CDAERP C[NH+](C)CCC(=O)NCC1([NH2+]CCCF)CCCC1 ZINC001568241248 1169194283 /nfs/dbraw/zinc/19/42/83/1169194283.db2.gz KEPLAELPXBFSFM-UHFFFAOYSA-N 2 0 273.396 1.316 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)(C)C ZINC001486397549 920965305 /nfs/dbraw/zinc/96/53/05/920965305.db2.gz QHDOPGHRJWDBRK-UONOGXRCSA-N 2 0 281.444 1.469 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C[NH2+]CCCF)C(C)(C)C)[NH+](C)C ZINC001486402350 920988990 /nfs/dbraw/zinc/98/89/90/920988990.db2.gz DTNRSXJOEPMGHC-OLZOCXBDSA-N 2 0 289.439 1.807 10 0 CDAERP CCC(CC)C[NH2+]C1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001486475147 921049004 /nfs/dbraw/zinc/04/90/04/921049004.db2.gz AWYBBOKDGWPHKF-UHFFFAOYSA-N 2 0 283.460 1.953 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+][C@H]2CC3CCC2CC3)CC1 ZINC000397559331 936706552 /nfs/dbraw/zinc/70/65/52/936706552.db2.gz SUTZDRLQRVIAEQ-RUXDESIVSA-N 2 0 252.402 1.611 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001490917668 936726619 /nfs/dbraw/zinc/72/66/19/936726619.db2.gz ZVINYDOCZOSCSW-MGPQQGTHSA-N 2 0 267.417 1.364 10 0 CDAERP Cc1ncc(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)s1 ZINC000923445631 923831770 /nfs/dbraw/zinc/83/17/70/923831770.db2.gz KSHUFBLWCIMTGK-LBPRGKRZSA-N 2 0 281.425 1.781 10 0 CDAERP NC(=O)C12CCC(CC1)[N@@H+]2CCCCCCC[NH3+] ZINC000923531096 923913838 /nfs/dbraw/zinc/91/38/38/923913838.db2.gz NVQKNBIJWHKHNK-UHFFFAOYSA-N 2 0 253.390 1.378 10 0 CDAERP CC[C@H](C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1)OC ZINC001410026163 924028591 /nfs/dbraw/zinc/02/85/91/924028591.db2.gz LXQTXRMDRYFWEV-ZIAGYGMSSA-N 2 0 299.459 1.190 10 0 CDAERP CCN(CC[NH2+]CCCF)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001273710032 924776293 /nfs/dbraw/zinc/77/62/93/924776293.db2.gz GSTSEGIZGPXRPL-ZDUSSCGKSA-N 2 0 273.396 1.126 10 0 CDAERP C[C@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC1CC(C)(C)C1 ZINC001410419596 925618578 /nfs/dbraw/zinc/61/85/78/925618578.db2.gz DGHGVACOQSHSEH-UKRRQHHQSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Cn1ccnc1 ZINC001413796315 937044717 /nfs/dbraw/zinc/04/47/17/937044717.db2.gz YTIAOLNNEOFZED-HUUCEWRRSA-N 2 0 290.411 1.604 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001438243114 927014054 /nfs/dbraw/zinc/01/40/54/927014054.db2.gz RIZDWCGZRUOBGM-ZIAGYGMSSA-N 2 0 287.423 1.609 10 0 CDAERP CC[N@H+](CCCNC(=O)C[NH+]1CCC(C)CC1)C(C)C ZINC001490351240 927106856 /nfs/dbraw/zinc/10/68/56/927106856.db2.gz HEJOEUYPKRZAFB-UHFFFAOYSA-N 2 0 283.460 1.955 10 0 CDAERP CO[C@@H](C)C[N@H+](C)CCN(C(=O)[C@@H]1CCC[NH+]1C)C(C)C ZINC001411186652 927183772 /nfs/dbraw/zinc/18/37/72/927183772.db2.gz RJXYGKZGGDOQGS-GJZGRUSLSA-N 2 0 299.459 1.284 10 0 CDAERP O=C(CCCC[NH+]1CCCC1)N[C@@H]1CCCN(CCF)C1 ZINC001490460622 927192916 /nfs/dbraw/zinc/19/29/16/927192916.db2.gz HNZOFFSDYSXOQF-OAHLLOKOSA-N 2 0 299.434 1.803 10 0 CDAERP COC[C@H](C)[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001411225304 927267457 /nfs/dbraw/zinc/26/74/57/927267457.db2.gz QUFOUAGLPINXLU-QWHCGFSZSA-N 2 0 287.448 1.094 10 0 CDAERP COCC[C@@H](COC)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000385763702 927309784 /nfs/dbraw/zinc/30/97/84/927309784.db2.gz UTRSWHIDBDPCGR-OCCSQVGLSA-N 2 0 258.406 1.358 10 0 CDAERP [NH3+]C[C@H](NC(=O)C=C1CC[NH2+]CC1)C1CCCCC1 ZINC000852796515 927873415 /nfs/dbraw/zinc/87/34/15/927873415.db2.gz DMVPCEVGKVYEGC-AWEZNQCLSA-N 2 0 265.401 1.320 10 0 CDAERP [NH3+]C1(CC(=O)NC2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000852870805 927902396 /nfs/dbraw/zinc/90/23/96/927902396.db2.gz YGKIUPRSOSLPLX-UHFFFAOYSA-N 2 0 279.428 1.781 10 0 CDAERP C[C@@H](CNC1=[NH+]CCCCN1)N(C)Cc1ccccc1 ZINC000697670510 937285478 /nfs/dbraw/zinc/28/54/78/937285478.db2.gz LOPKKPCBTYBDCU-AWEZNQCLSA-N 2 0 274.412 1.836 10 0 CDAERP COC[C@H](C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1)OC ZINC000859211912 928985606 /nfs/dbraw/zinc/98/56/06/928985606.db2.gz CQPLQAPCFYEDAW-INIZCTEOSA-N 2 0 280.412 1.841 10 0 CDAERP CCO[C@@H](C[N@@H+]1CCC2(C1)CC[NH2+]CC2)C1CC1 ZINC000863542650 929566611 /nfs/dbraw/zinc/56/66/11/929566611.db2.gz RUSITNLSQAEBND-AWEZNQCLSA-N 2 0 252.402 1.877 10 0 CDAERP CC[S@@](=O)CC[NH2+]C1CCN(c2ccccn2)CC1 ZINC000130894928 930137631 /nfs/dbraw/zinc/13/76/31/930137631.db2.gz ALNJZRQGHISKCZ-IBGZPJMESA-N 2 0 281.425 1.409 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCCCCF)C1 ZINC001490814591 930460479 /nfs/dbraw/zinc/46/04/79/930460479.db2.gz CCTSSTZVRHHDRD-KBPBESRZSA-N 2 0 285.407 1.411 10 0 CDAERP O[C@H](C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000819014866 930752356 /nfs/dbraw/zinc/75/23/56/930752356.db2.gz AJHIYIGKKHJOQG-FUHWJXTLSA-N 2 0 288.435 1.912 10 0 CDAERP CC(C)[C@@H](C(=O)NC/C=C/C[NH2+]CC1CC(C)C1)[NH+](C)C ZINC001274104861 931172826 /nfs/dbraw/zinc/17/28/26/931172826.db2.gz DLPARXYAGNGGAA-KFRTVPJQSA-N 2 0 295.471 1.881 10 0 CDAERP O=C(NC/C=C/C[NH2+]CCCF)C12CCC[NH+]1CCC2 ZINC001274160755 931210611 /nfs/dbraw/zinc/21/06/11/931210611.db2.gz CLTNOIRARPFBRC-OWOJBTEDSA-N 2 0 283.391 1.236 10 0 CDAERP C[C@H](C[NH2+]CC[C@H](C)F)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001319490307 931213896 /nfs/dbraw/zinc/21/38/96/931213896.db2.gz BXTMBSPZCHGNDP-UONOGXRCSA-N 2 0 299.434 1.799 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001143803178 931550813 /nfs/dbraw/zinc/55/08/13/931550813.db2.gz PVWSALFBNLFYKO-UPJWGTAASA-N 2 0 255.406 1.031 10 0 CDAERP C[C@H](C[NH2+]CCc1ccccc1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001274701249 931551404 /nfs/dbraw/zinc/55/14/04/931551404.db2.gz KBPOJFMVDNLBKB-GDBMZVCRSA-N 2 0 289.423 1.418 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCCNC(=O)CC1CC([NH3+])C1 ZINC000718136325 931595821 /nfs/dbraw/zinc/59/58/21/931595821.db2.gz AACPWKBWODHMCC-HSBZDZAISA-N 2 0 267.417 1.495 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC1CC(C[NH2+]CCF)C1 ZINC001275243376 931712482 /nfs/dbraw/zinc/71/24/82/931712482.db2.gz RBZLADNYJVWZKB-JXQTWKCFSA-N 2 0 285.407 1.315 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CCF ZINC001275794804 932044665 /nfs/dbraw/zinc/04/46/65/932044665.db2.gz YPRURIYGAAASND-CHWSQXEVSA-N 2 0 273.396 1.172 10 0 CDAERP C[NH2+]CCCCC(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000719729867 932245872 /nfs/dbraw/zinc/24/58/72/932245872.db2.gz YOEBKAPQRJDKCH-UHFFFAOYSA-N 2 0 269.433 1.755 10 0 CDAERP C(C[NH+]1CCCCCC1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000925525294 932898367 /nfs/dbraw/zinc/89/83/67/932898367.db2.gz HFBOIZDKQUYHDO-CQSZACIVSA-N 2 0 251.418 1.737 10 0 CDAERP CC1(C)[C@H]([NH2+][C@H]2CCC[C@@H]2CCO)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925647446 932921127 /nfs/dbraw/zinc/92/11/27/932921127.db2.gz ZCJGILBYQKBDFE-NIFZNCRKSA-N 2 0 266.429 1.904 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925779492 932939286 /nfs/dbraw/zinc/93/92/86/932939286.db2.gz JWOBUETWZCBQJE-FAAHXZRKSA-N 2 0 251.418 1.352 10 0 CDAERP C[C@H]1OCC[C@H]1C[NH+]1CCC(N2CCCOCC2)CC1 ZINC000931284748 933531196 /nfs/dbraw/zinc/53/11/96/933531196.db2.gz AXKQPHQXQKNARI-CABCVRRESA-N 2 0 282.428 1.598 10 0 CDAERP CC[NH2+]Cc1ccccc1NC(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000188183405 934430599 /nfs/dbraw/zinc/43/05/99/934430599.db2.gz JLGVCZWRUOCXKO-UHFFFAOYSA-N 2 0 299.378 1.417 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)CC[NH+](CC)CC ZINC001124048780 936275855 /nfs/dbraw/zinc/27/58/55/936275855.db2.gz VHZCLLGGMAUDDL-CYBMUJFWSA-N 2 0 257.422 1.565 10 0 CDAERP C[C@H](CC[NH2+]Cc1nccs1)NC(=O)CC[NH+](C)C ZINC001568671868 1169423374 /nfs/dbraw/zinc/42/33/74/1169423374.db2.gz CFUJOBWWQKDARL-LLVKDONJSA-N 2 0 284.429 1.079 10 0 CDAERP C[NH+](C)Cc1ccc(C[N@H+](C)CCNC(=O)C2CC2)cc1 ZINC001473342146 970782185 /nfs/dbraw/zinc/78/21/85/970782185.db2.gz JYWDNIHXOVFJPC-UHFFFAOYSA-N 2 0 289.423 1.706 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@H]2C[NH+](C)C)C1 ZINC001362033069 970798579 /nfs/dbraw/zinc/79/85/79/970798579.db2.gz SLHAIJPMSPIOAR-LSDHHAIUSA-N 2 0 281.444 1.659 10 0 CDAERP CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001277039351 941852326 /nfs/dbraw/zinc/85/23/26/941852326.db2.gz CCLWVEMPQKTHOA-JHJVBQTASA-N 2 0 255.406 1.077 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)CC(C)(C)C[NH3+])CC1 ZINC000721265374 942207110 /nfs/dbraw/zinc/20/71/10/942207110.db2.gz FYBDXBGCCDKESK-UHFFFAOYSA-N 2 0 269.433 1.694 10 0 CDAERP C[C@@H](CC[NH+](C)C)NC(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC001362121379 970913563 /nfs/dbraw/zinc/91/35/63/970913563.db2.gz BLUARJHJAPCBCZ-ZDUSSCGKSA-N 2 0 293.411 1.945 10 0 CDAERP CC[C@H](C(=O)NCC[C@H](C)[NH2+]CC(C)C)[NH+](C)C ZINC001281725947 942613096 /nfs/dbraw/zinc/61/30/96/942613096.db2.gz SUDDUZWYVIKBFH-QWHCGFSZSA-N 2 0 257.422 1.467 10 0 CDAERP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H](C)[NH2+]CCCF ZINC001282186340 942675113 /nfs/dbraw/zinc/67/51/13/942675113.db2.gz UGCNMEHKSJJBFT-NWDGAFQWSA-N 2 0 273.396 1.171 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001316621753 942749408 /nfs/dbraw/zinc/74/94/08/942749408.db2.gz HIPNIBRCVIQWFI-GASCZTMLSA-N 2 0 291.439 1.533 10 0 CDAERP CC(C)(C)[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H](F)C2)CC1 ZINC001362134249 970930797 /nfs/dbraw/zinc/93/07/97/970930797.db2.gz MSLARBWRASBBFS-CYBMUJFWSA-N 2 0 285.407 1.363 10 0 CDAERP CC(C)(C)[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H](F)C2)CC1 ZINC001362134252 970930840 /nfs/dbraw/zinc/93/08/40/970930840.db2.gz MSLARBWRASBBFS-ZDUSSCGKSA-N 2 0 285.407 1.363 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001277933127 944103631 /nfs/dbraw/zinc/10/36/31/944103631.db2.gz ULJCMXLHLBJAQZ-CQSZACIVSA-N 2 0 267.417 1.319 10 0 CDAERP CC/C=C/CC[NH2+][C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001265503256 944411467 /nfs/dbraw/zinc/41/14/67/944411467.db2.gz OFEXGVCCIYQKDG-DIGCIXNNSA-N 2 0 291.439 1.675 10 0 CDAERP CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]CCCOC)C1)[NH+](C)C ZINC001265631191 944451767 /nfs/dbraw/zinc/45/17/67/944451767.db2.gz ZDYFPPKUQCDAOR-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C[NH2+]CCCF)C1 ZINC001265633324 944451802 /nfs/dbraw/zinc/45/18/02/944451802.db2.gz SKMGJXBLWYVIOB-AWEZNQCLSA-N 2 0 287.423 1.516 10 0 CDAERP CCOCC[NH2+]C[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001265636114 944453151 /nfs/dbraw/zinc/45/31/51/944453151.db2.gz DTZKUKWLFLDLHJ-OAHLLOKOSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+]CCCF ZINC001265690255 944470911 /nfs/dbraw/zinc/47/09/11/944470911.db2.gz VJULCKIIFGFNMU-AWEZNQCLSA-N 2 0 287.423 1.659 10 0 CDAERP COCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001265783715 944508210 /nfs/dbraw/zinc/50/82/10/944508210.db2.gz PDIOCXAGMWLAJZ-HIFRSBDPSA-N 2 0 297.443 1.134 10 0 CDAERP C[C@@H]1[C@H](C(=O)NCCC[NH+](C)CC2CC2)CC[N@@H+]1C ZINC001265849359 944539669 /nfs/dbraw/zinc/53/96/69/944539669.db2.gz YCOFSOFADQPTOF-TZMCWYRMSA-N 2 0 267.417 1.175 10 0 CDAERP CC/C=C/CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001278016711 944588483 /nfs/dbraw/zinc/58/84/83/944588483.db2.gz DTOKINHPOODPKQ-CNBITHIKSA-N 2 0 281.444 1.731 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+]2CC[C@H](F)C2)C1 ZINC001362307951 971141114 /nfs/dbraw/zinc/14/11/14/971141114.db2.gz ZZHAEUWEGTWMGX-CABCVRRESA-N 2 0 299.434 1.611 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001479556719 971339102 /nfs/dbraw/zinc/33/91/02/971339102.db2.gz FEUBYOIINPPAOS-PMPSAXMXSA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1CCOC ZINC001479636586 971353302 /nfs/dbraw/zinc/35/33/02/971353302.db2.gz ABAINYXFHNHANW-LSDHHAIUSA-N 2 0 297.443 1.086 10 0 CDAERP COCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001479739918 971390611 /nfs/dbraw/zinc/39/06/11/971390611.db2.gz QOUYGPZEANYRDJ-HNNXBMFYSA-N 2 0 299.459 1.286 10 0 CDAERP CC[C@H](F)C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001479866376 971461098 /nfs/dbraw/zinc/46/10/98/971461098.db2.gz MXHLPZUVJDPZDC-ZFWWWQNUSA-N 2 0 299.434 1.799 10 0 CDAERP COCCCC[NH2+][C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001480208000 971628871 /nfs/dbraw/zinc/62/88/71/971628871.db2.gz MCAKPLJNBXLSCO-OKILXGFUSA-N 2 0 297.443 1.134 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001480210216 971630013 /nfs/dbraw/zinc/63/00/13/971630013.db2.gz FLTBDHKRXGMLKX-HZSPNIEDSA-N 2 0 269.433 1.754 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CCC[N@@H+](CCCF)C1 ZINC001480269724 971654139 /nfs/dbraw/zinc/65/41/39/971654139.db2.gz NMHLMXWLBJTGOE-AWEZNQCLSA-N 2 0 285.407 1.270 10 0 CDAERP CCOCC[N@@H+]1CCC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001480262960 971651587 /nfs/dbraw/zinc/65/15/87/971651587.db2.gz KHTKOWXBTZKFLN-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP C[NH+]1CCC(CCNC(=[NH2+])NCCC2CC2)CC1 ZINC001331845050 951044408 /nfs/dbraw/zinc/04/44/08/951044408.db2.gz CBMXCBBPDXYEJJ-UHFFFAOYSA-N 2 0 252.406 1.632 10 0 CDAERP COCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001324640651 953488836 /nfs/dbraw/zinc/48/88/36/953488836.db2.gz FAGPDZQJKFWMAG-GOEBONIOSA-N 2 0 297.443 1.088 10 0 CDAERP CCC(C)(C)[NH+]1CCN(C(=O)[C@H](C)CC[NH+](C)C)CC1 ZINC001363168780 971941285 /nfs/dbraw/zinc/94/12/85/971941285.db2.gz SSAJTTDKIGQZHP-CQSZACIVSA-N 2 0 283.460 1.907 10 0 CDAERP C[C@@]1(C[NH2+]CCCF)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001324825782 953593758 /nfs/dbraw/zinc/59/37/58/953593758.db2.gz IVVASNTXOCYSAQ-HNNXBMFYSA-N 2 0 285.407 1.270 10 0 CDAERP CN1CC[NH+](CC2(C)CC[NH+](C[C@H](O)C3CC3)CC2)CC1 ZINC001363804928 953821815 /nfs/dbraw/zinc/82/18/15/953821815.db2.gz PYVILUCRENCTLU-INIZCTEOSA-N 2 0 295.471 1.107 10 0 CDAERP OC1(C[NH+]2CCC(O)(C[NH+]3CCCCC3)CC2)CCC1 ZINC001363848489 953910712 /nfs/dbraw/zinc/91/07/12/953910712.db2.gz HYHGRWUBEHBNGA-UHFFFAOYSA-N 2 0 282.428 1.214 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001493230777 971989949 /nfs/dbraw/zinc/98/99/49/971989949.db2.gz STBNJBDYFDPUMI-OAHLLOKOSA-N 2 0 295.471 1.812 10 0 CDAERP C[NH+](C)C1(C(=O)N2CC[C@H](CC[NH2+]CCF)C2)CCC1 ZINC001326286392 954301576 /nfs/dbraw/zinc/30/15/76/954301576.db2.gz JCKOMJVYFCVISO-ZDUSSCGKSA-N 2 0 285.407 1.268 10 0 CDAERP Cc1nc(C)c(CNC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)[nH]1 ZINC001364194126 954308991 /nfs/dbraw/zinc/30/89/91/954308991.db2.gz QTEAXCMCPKSBAO-AWEZNQCLSA-N 2 0 276.384 1.660 10 0 CDAERP CCC[NH+]1CCC([N@H+](C)C[C@H](C)CN2CCOCC2)CC1 ZINC001364330614 954470247 /nfs/dbraw/zinc/47/02/47/954470247.db2.gz MYGMIKGZXPKUDI-INIZCTEOSA-N 2 0 297.487 1.761 10 0 CDAERP CC[C@@H](C(=O)NCC1([NH2+]CC=C(C)C)CCC1)[NH+](C)C ZINC001326889841 954602580 /nfs/dbraw/zinc/60/25/80/954602580.db2.gz QNTLSJDMVNAMPU-AWEZNQCLSA-N 2 0 281.444 1.921 10 0 CDAERP Cn1cncc1CC[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001364537665 954761018 /nfs/dbraw/zinc/76/10/18/954761018.db2.gz SNJSFMISQMUZPS-CALCHBBNSA-N 2 0 288.439 1.770 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H](CC)[NH2+][C@@H](C)C2)C1 ZINC001363315390 972080511 /nfs/dbraw/zinc/08/05/11/972080511.db2.gz FZLKSHRGTWPZFV-SOUVJXGZSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)CC[NH2+]CC[C@@H]1CCOC1)[NH+](C)C ZINC001493586092 972084357 /nfs/dbraw/zinc/08/43/57/972084357.db2.gz FEYGSDPHPYNYSA-CABCVRRESA-N 2 0 299.459 1.047 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001491847998 955467012 /nfs/dbraw/zinc/46/70/12/955467012.db2.gz OUFVRTJHMYAJKH-KBPBESRZSA-N 2 0 297.418 1.268 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@H]1C[NH+](CCC(C)C)CCO1 ZINC001421805817 955554406 /nfs/dbraw/zinc/55/44/06/955554406.db2.gz ZYWQLHZTHHSJBO-HNNXBMFYSA-N 2 0 299.459 1.191 10 0 CDAERP CC[N@H+](C)CCCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001421864750 955607477 /nfs/dbraw/zinc/60/74/77/955607477.db2.gz UDGARNJATIGLFR-UHFFFAOYSA-N 2 0 281.444 1.663 10 0 CDAERP CN(CC[NH2+]CCC(C)(C)C)C(=O)C[NH+]1CCCC1 ZINC001493794485 972115718 /nfs/dbraw/zinc/11/57/18/972115718.db2.gz WMPCFEYVYAAIPK-UHFFFAOYSA-N 2 0 269.433 1.566 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001492293966 955815728 /nfs/dbraw/zinc/81/57/28/955815728.db2.gz SVGAGNSOHSCXPM-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCC[NH+](C)CC2CCC2)CC[N@@H+]1C ZINC001492387133 955849595 /nfs/dbraw/zinc/84/95/95/955849595.db2.gz TXHMJUZBJUBARA-ZFWWWQNUSA-N 2 0 281.444 1.565 10 0 CDAERP CC/C=C\CC[N@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001492425314 955879059 /nfs/dbraw/zinc/87/90/59/955879059.db2.gz ZCJDWLVENNYOOU-YVACAVLKSA-N 2 0 281.444 1.733 10 0 CDAERP O[C@@H]1CCCC[C@@H]1C[NH+]1CCC(N2CCCOCC2)CC1 ZINC001365320640 955890281 /nfs/dbraw/zinc/89/02/81/955890281.db2.gz UHZVZSXGDZFOGZ-NVXWUHKLSA-N 2 0 296.455 1.724 10 0 CDAERP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1C[C@H]2CSC[C@@]2(C)C1 ZINC001365335640 955915297 /nfs/dbraw/zinc/91/52/97/955915297.db2.gz CVZMPZQRGVISCH-BFHYXJOUSA-N 2 0 272.458 1.372 10 0 CDAERP C[C@@H](NC(=O)C12CCC[NH+]1CCC2)[C@H](C)[NH2+]CC1CCC1 ZINC001422333545 955949964 /nfs/dbraw/zinc/94/99/64/955949964.db2.gz HIGLVRFKVOGYNZ-UONOGXRCSA-N 2 0 293.455 1.898 10 0 CDAERP Cc1cc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)sn1 ZINC001422471646 956044754 /nfs/dbraw/zinc/04/47/54/956044754.db2.gz RZTKBERHTXVGPW-DGCLKSJQSA-N 2 0 296.440 1.140 10 0 CDAERP C[NH+](C)CCC(=O)NC1(C[NH2+]CCF)CCCCC1 ZINC001329845871 956139464 /nfs/dbraw/zinc/13/94/64/956139464.db2.gz LRTDRIXJYCZFPX-UHFFFAOYSA-N 2 0 273.396 1.316 10 0 CDAERP CCC(CC)C[NH2+]C[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001422590149 956176625 /nfs/dbraw/zinc/17/66/25/956176625.db2.gz KUUNNWNGMZQFGO-HIFRSBDPSA-N 2 0 283.460 1.859 10 0 CDAERP CCC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001494020787 972162289 /nfs/dbraw/zinc/16/22/89/972162289.db2.gz ODXVQAFTCXKLMT-HOCLYGCPSA-N 2 0 293.455 1.566 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)CC[NH+](C)C ZINC001317437074 956281974 /nfs/dbraw/zinc/28/19/74/956281974.db2.gz SYOBTOCJUSPGBC-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)CC1CC1 ZINC001422822926 956387676 /nfs/dbraw/zinc/38/76/76/956387676.db2.gz DDTNJYWHRQORDN-DZGCQCFKSA-N 2 0 281.444 1.707 10 0 CDAERP C[NH+](C)C1(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC4CC4)C[C@H]32)CCC1 ZINC001422848771 956401002 /nfs/dbraw/zinc/40/10/02/956401002.db2.gz XQRBXTXXALGMSL-QKDCVEJESA-N 2 0 291.439 1.175 10 0 CDAERP CC(C)[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001365859809 956410702 /nfs/dbraw/zinc/41/07/02/956410702.db2.gz VPQYGKVKZSFHGJ-RRFJBIMHSA-N 2 0 283.460 1.856 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]C/C=C\Cl)CC[N@@H+]1C ZINC001366288789 956713999 /nfs/dbraw/zinc/71/39/99/956713999.db2.gz LTSGLARCAMVOEO-IXDOJIRCSA-N 2 0 287.835 1.564 10 0 CDAERP CC(C)N(CC[N@H+](C)C(C)C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001423570657 956862875 /nfs/dbraw/zinc/86/28/75/956862875.db2.gz QABLFSIWCFHHQM-OAHLLOKOSA-N 2 0 283.460 1.905 10 0 CDAERP CCCC[N@H+](C)CCN(C(=O)[C@H]1CC[NH+](C)C1)C(C)C ZINC001423579633 956875353 /nfs/dbraw/zinc/87/53/53/956875353.db2.gz MXEGRIOYYIXTNO-HNNXBMFYSA-N 2 0 283.460 1.907 10 0 CDAERP CC[NH+]1CCC(C2(NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001423703093 956950605 /nfs/dbraw/zinc/95/06/05/956950605.db2.gz YBCDNRPYRPLQCC-AWEZNQCLSA-N 2 0 293.455 1.709 10 0 CDAERP CC[C@H](C(=O)N(C)[C@H](C[NH2+]C(C)C)C1CC1)[NH+](C)C ZINC001331345603 956981690 /nfs/dbraw/zinc/98/16/90/956981690.db2.gz GENGIRKOPCITHI-ZIAGYGMSSA-N 2 0 269.433 1.562 10 0 CDAERP C[C@@H]([NH2+]CCF)[C@@H]1CCN(C(=O)C(C)(C)c2cnc[nH]2)C1 ZINC001423954354 957052240 /nfs/dbraw/zinc/05/22/40/957052240.db2.gz ROKIIVBYRBGTDW-VXGBXAGGSA-N 2 0 296.390 1.483 10 0 CDAERP CC(C)C[NH+]1CC(NC(=O)CCCC[NH+](C)C)C1 ZINC001494483607 972240642 /nfs/dbraw/zinc/24/06/42/972240642.db2.gz UBBBUPXDTDIFEW-UHFFFAOYSA-N 2 0 255.406 1.175 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001366697326 957124416 /nfs/dbraw/zinc/12/44/16/957124416.db2.gz BCIBDYKAYUPHLS-UONOGXRCSA-N 2 0 299.434 1.657 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CCCO ZINC001331576478 957148320 /nfs/dbraw/zinc/14/83/20/957148320.db2.gz OYAHRVSMVLMVCX-GJZGRUSLSA-N 2 0 299.459 1.070 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CCC(C)C)C1)[NH+](C)C ZINC001316983354 957181520 /nfs/dbraw/zinc/18/15/20/957181520.db2.gz WRCFEYCKWOOKIZ-UONOGXRCSA-N 2 0 269.433 1.563 10 0 CDAERP C[N@H+](CCCF)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001366864911 957234087 /nfs/dbraw/zinc/23/40/87/957234087.db2.gz IVELIFVYKKFWHV-GJZGRUSLSA-N 2 0 299.434 1.611 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001317117144 957282579 /nfs/dbraw/zinc/28/25/79/957282579.db2.gz RAVAPFWSRBUGCQ-BETUJISGSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCCCCF ZINC001317245608 957376414 /nfs/dbraw/zinc/37/64/14/957376414.db2.gz IERCOVADIYKBKF-UONOGXRCSA-N 2 0 287.423 1.705 10 0 CDAERP CC[NH2+][C@@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001317271843 957395175 /nfs/dbraw/zinc/39/51/75/957395175.db2.gz OLPINVRILMKKTL-QWHCGFSZSA-N 2 0 255.406 1.365 10 0 CDAERP CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001332051894 957415729 /nfs/dbraw/zinc/41/57/29/957415729.db2.gz VTCVOEMEBFCRKA-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP CCCCC[N@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001317490283 957509388 /nfs/dbraw/zinc/50/93/88/957509388.db2.gz RBPUIYJPERELTD-AWEZNQCLSA-N 2 0 269.433 1.566 10 0 CDAERP CC1CC(C[N@@H+]2C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C2)C1 ZINC001425312205 957512466 /nfs/dbraw/zinc/51/24/66/957512466.db2.gz URDTZTJGOJLFTR-NRXISQOPSA-N 2 0 295.471 1.811 10 0 CDAERP O=C(NC1CC1)[C@@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC001332363711 957532772 /nfs/dbraw/zinc/53/27/72/957532772.db2.gz JHDKEQRNSSURTQ-GFCCVEGCSA-N 2 0 265.401 1.119 10 0 CDAERP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]CCC1CC[NH+](C)CC1 ZINC001332390879 957544813 /nfs/dbraw/zinc/54/48/13/957544813.db2.gz PWDQHIODFYECOQ-NHAGDIPZSA-N 2 0 254.418 1.979 10 0 CDAERP CC(C)=CC[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001317589609 957585741 /nfs/dbraw/zinc/58/57/41/957585741.db2.gz RBDHLOABJJPJFU-ZIAGYGMSSA-N 2 0 267.417 1.341 10 0 CDAERP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]Cc1cccnc1 ZINC001425682155 957598619 /nfs/dbraw/zinc/59/86/19/957598619.db2.gz LQZMZYQCYGAAND-AWEZNQCLSA-N 2 0 290.411 1.114 10 0 CDAERP CC[NH2+]CCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001317647227 957619175 /nfs/dbraw/zinc/61/91/75/957619175.db2.gz UORCVFPLZDFBEO-UHFFFAOYSA-N 2 0 255.406 1.175 10 0 CDAERP CC[NH2+]CCN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001317649218 957621559 /nfs/dbraw/zinc/62/15/59/957621559.db2.gz RWKWPJKUIBWVEY-UHFFFAOYSA-N 2 0 267.417 1.176 10 0 CDAERP CC(C)C[C@@H](C)C[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001317661029 957627357 /nfs/dbraw/zinc/62/73/57/957627357.db2.gz HGMFTGAOYGCDON-CABCVRRESA-N 2 0 283.460 1.668 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001367243225 957875311 /nfs/dbraw/zinc/87/53/11/957875311.db2.gz QLZFXINPYZFION-HIFRSBDPSA-N 2 0 281.444 1.326 10 0 CDAERP Cc1cncc(C[NH2+]C[C@@H](C)CNC(=O)CC[NH+](C)C)c1 ZINC001367268641 957895359 /nfs/dbraw/zinc/89/53/59/957895359.db2.gz JUXQOXAVKDEOHS-CQSZACIVSA-N 2 0 292.427 1.184 10 0 CDAERP CC[NH2+]C[C@H](C)N(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001367382122 957980271 /nfs/dbraw/zinc/98/02/71/957980271.db2.gz NAIYDWVFRQLVMI-WFASDCNBSA-N 2 0 287.423 1.655 10 0 CDAERP CCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](C)C1 ZINC001318304033 958023039 /nfs/dbraw/zinc/02/30/39/958023039.db2.gz MSMFCWLMWLOMDZ-UONOGXRCSA-N 2 0 267.417 1.461 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001318319490 958028206 /nfs/dbraw/zinc/02/82/06/958028206.db2.gz KXQSUZIBQCHYLL-NWRQEBOHSA-N 2 0 279.428 1.627 10 0 CDAERP CC(C)COCC[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001318427140 958096703 /nfs/dbraw/zinc/09/67/03/958096703.db2.gz WNEGKQMBCXCYNJ-HNNXBMFYSA-N 2 0 299.459 1.143 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1cncc(C)c1)[NH+](C)C ZINC001367767602 958319840 /nfs/dbraw/zinc/31/98/40/958319840.db2.gz NSTZPQRKKMGOQN-DZGCQCFKSA-N 2 0 292.427 1.325 10 0 CDAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C[NH2+]C/C=C/Cl ZINC001319245883 958454362 /nfs/dbraw/zinc/45/43/62/958454362.db2.gz PJUOTVSXBWVUMV-UXOHQCDBSA-N 2 0 287.835 1.423 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@H](C[NH2+]CC1CCCC1)C1CC1 ZINC001367926408 958481761 /nfs/dbraw/zinc/48/17/61/958481761.db2.gz UDRUKOYWRSKZLF-MRXNPFEDSA-N 2 0 293.455 1.757 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC2(C)CC[NH+](CC3CC3)CC2)C1 ZINC001368129035 958653038 /nfs/dbraw/zinc/65/30/38/958653038.db2.gz VVCUYFPCUYETQI-HNNXBMFYSA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)C[NH2+]C[C@@]1(C)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001368197752 958695654 /nfs/dbraw/zinc/69/56/54/958695654.db2.gz PREOPXIHARMPLO-NVXWUHKLSA-N 2 0 295.471 1.812 10 0 CDAERP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CC1CC(C)(C)C1 ZINC001495048341 972389496 /nfs/dbraw/zinc/38/94/96/972389496.db2.gz BYYWAMQFZLSLJA-AWEZNQCLSA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001368881334 959223811 /nfs/dbraw/zinc/22/38/11/959223811.db2.gz GTLYCGXBTRHZFC-KBPBESRZSA-N 2 0 283.460 1.857 10 0 CDAERP C[C@H](CC[NH2+]CCF)NC(=O)CC[NH+]1CCCCC1 ZINC001320643985 959292836 /nfs/dbraw/zinc/29/28/36/959292836.db2.gz IQQTTXAHURTMIB-CYBMUJFWSA-N 2 0 273.396 1.316 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)CCCF ZINC001368948480 959312470 /nfs/dbraw/zinc/31/24/70/959312470.db2.gz FHKYXYHELJNIIV-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1C[NH+](CC2CCC2)C1 ZINC001369093301 959455456 /nfs/dbraw/zinc/45/54/56/959455456.db2.gz LESGLDIPPXBFKK-DZGCQCFKSA-N 2 0 293.455 1.565 10 0 CDAERP CC(C)[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001369155147 959488566 /nfs/dbraw/zinc/48/85/66/959488566.db2.gz FUJAQLNRFOZBIA-XHSDSOJGSA-N 2 0 295.471 1.953 10 0 CDAERP CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001369203155 959526823 /nfs/dbraw/zinc/52/68/23/959526823.db2.gz CQXVOUMOTNKQDR-CVEARBPZSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]CC[C@@H](C)F ZINC001369314485 959624237 /nfs/dbraw/zinc/62/42/37/959624237.db2.gz QEOHVFRQPUNYDC-OLZOCXBDSA-N 2 0 275.412 1.511 10 0 CDAERP CN(C(=O)CC[NH+](C)C)C1CC([NH2+]CC[C@@H]2CCCO2)C1 ZINC001369574017 959770485 /nfs/dbraw/zinc/77/04/85/959770485.db2.gz KBJONBGHUFFKGQ-NRXISQOPSA-N 2 0 297.443 1.086 10 0 CDAERP CCC/C=C\CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001321480154 959809232 /nfs/dbraw/zinc/80/92/32/959809232.db2.gz YQHVYKDQLAYQTO-WJNHHXLDSA-N 2 0 281.444 1.921 10 0 CDAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CCC1CC1 ZINC001321842881 959982255 /nfs/dbraw/zinc/98/22/55/959982255.db2.gz ZGGVUFKAVJRFNW-DZGCQCFKSA-N 2 0 281.444 1.754 10 0 CDAERP C[C@@H]1[C@H](C(=O)NC[C@H]([NH2+]CC2CC2)C2CC2)CC[N@@H+]1C ZINC001370173883 960018142 /nfs/dbraw/zinc/01/81/42/960018142.db2.gz NXHGIWTUABOYNK-DFBGVHRSSA-N 2 0 279.428 1.221 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001370535246 960139226 /nfs/dbraw/zinc/13/92/26/960139226.db2.gz OYFNKURUMBWBOD-KKUMJFAQSA-N 2 0 281.444 1.611 10 0 CDAERP CCC[NH2+]CC[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001495389218 972484136 /nfs/dbraw/zinc/48/41/36/972484136.db2.gz WINMBKHKIYSQOF-HZPDHXFCSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)CC[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001322568916 960264158 /nfs/dbraw/zinc/26/41/58/960264158.db2.gz IZCYGBSXCQNFME-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H]1CCC[N@H+](CCNC(=O)CC[NH+]2CC[C@@H](F)C2)C1 ZINC001433609909 960447259 /nfs/dbraw/zinc/44/72/59/960447259.db2.gz VKDGOOKOYIWKPZ-UONOGXRCSA-N 2 0 285.407 1.268 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)CC1 ZINC001434033071 960908583 /nfs/dbraw/zinc/90/85/83/960908583.db2.gz YVMIYCHHWQOBMA-HOCLYGCPSA-N 2 0 295.471 1.905 10 0 CDAERP CC(C)CC[NH+]1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001323978698 961083906 /nfs/dbraw/zinc/08/39/06/961083906.db2.gz KMGNYKHFUFJLSR-UHFFFAOYSA-N 2 0 255.406 1.127 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001419742629 962058143 /nfs/dbraw/zinc/05/81/43/962058143.db2.gz HPVMDGYAJWEKKB-HUUCEWRRSA-N 2 0 299.459 1.047 10 0 CDAERP CC(C)[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[NH2+]CCF ZINC001419877707 962190497 /nfs/dbraw/zinc/19/04/97/962190497.db2.gz CXOJOCIXEHRWJW-ZIAGYGMSSA-N 2 0 287.423 1.559 10 0 CDAERP CC(C)[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]C/C=C/Cl ZINC001419933710 962250165 /nfs/dbraw/zinc/25/01/65/962250165.db2.gz KTUXNPWCKSULIW-VFQZCJPISA-N 2 0 287.835 1.421 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]CC2CCCC2)C1 ZINC001420015564 962374018 /nfs/dbraw/zinc/37/40/18/962374018.db2.gz NKAPEJAOBBVOOO-MRXNPFEDSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001420018936 962379157 /nfs/dbraw/zinc/37/91/57/962379157.db2.gz SBRKRNFOUXFSSM-HUUCEWRRSA-N 2 0 283.460 1.811 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]2C[NH+](CC)CC[C@H]21 ZINC001436942957 962512417 /nfs/dbraw/zinc/51/24/17/962512417.db2.gz IBZBABPPVVTUSF-LSDHHAIUSA-N 2 0 281.444 1.661 10 0 CDAERP O=C(N[C@H]1C[C@@H]([NH2+]C/C=C/Cl)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC001436982390 962542473 /nfs/dbraw/zinc/54/24/73/962542473.db2.gz WXRFBXPRBRJIGO-JFDOFIIKSA-N 2 0 297.830 1.462 10 0 CDAERP C[C@H](C[NH2+]Cc1ccc(F)cc1)NC(=O)CC[NH+](C)C ZINC001420340411 962762003 /nfs/dbraw/zinc/76/20/03/962762003.db2.gz QNAVJFNMBZEOIU-GFCCVEGCSA-N 2 0 281.375 1.372 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)CCCF)C1 ZINC001437993633 963252610 /nfs/dbraw/zinc/25/26/10/963252610.db2.gz UGNPZWXAUYRCPC-AWEZNQCLSA-N 2 0 287.423 1.467 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001438241188 963381876 /nfs/dbraw/zinc/38/18/76/963381876.db2.gz JVGJKWSSLSLIRG-KBPBESRZSA-N 2 0 287.423 1.609 10 0 CDAERP CCCC[NH+]1CC(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001421140600 963472158 /nfs/dbraw/zinc/47/21/58/963472158.db2.gz XNWSRBRMFBWEEP-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)C(C)C ZINC001438771921 963545624 /nfs/dbraw/zinc/54/56/24/963545624.db2.gz ZQKQEIPGCCEOCE-CABCVRRESA-N 2 0 283.460 1.952 10 0 CDAERP CCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](CCOC(C)C)C1 ZINC001421366274 963574146 /nfs/dbraw/zinc/57/41/46/963574146.db2.gz IXSSMMLNZGDGCZ-OAHLLOKOSA-N 2 0 299.459 1.286 10 0 CDAERP CCC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001438931655 963603718 /nfs/dbraw/zinc/60/37/18/963603718.db2.gz HWNXTOTWILNUDK-GJZGRUSLSA-N 2 0 283.460 1.907 10 0 CDAERP CC(C)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001439887215 963888498 /nfs/dbraw/zinc/88/84/98/963888498.db2.gz LOPMCNKTPUXNLA-WBVHZDCISA-N 2 0 295.471 1.955 10 0 CDAERP CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001439898670 963889978 /nfs/dbraw/zinc/88/99/78/963889978.db2.gz HTVACASYDYYTBP-SWLSCSKDSA-N 2 0 278.400 1.436 10 0 CDAERP CCC[NH2+][C@@H]1CC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001440388494 964008635 /nfs/dbraw/zinc/00/86/35/964008635.db2.gz JRFGTSDFBKFWTN-UONOGXRCSA-N 2 0 281.444 1.613 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]C/C=C/Cl)C2)C1 ZINC001440404211 964021925 /nfs/dbraw/zinc/02/19/25/964021925.db2.gz CRCBVSJOFVFNNL-OOMRNXDTSA-N 2 0 299.846 1.565 10 0 CDAERP CN(CCC[N@H+](C)CCC1CC1)C(=O)Cn1ccnc1 ZINC001440480025 964072474 /nfs/dbraw/zinc/07/24/74/964072474.db2.gz JVGGYHKKZYCIEQ-UHFFFAOYSA-N 2 0 278.400 1.464 10 0 CDAERP CCC[NH+]1CC([C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001441171154 964403255 /nfs/dbraw/zinc/40/32/55/964403255.db2.gz VKJSKKXZOPQOIN-ZDUSSCGKSA-N 2 0 281.444 1.707 10 0 CDAERP CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C1CC1 ZINC001441209880 964420245 /nfs/dbraw/zinc/42/02/45/964420245.db2.gz UAUFVDWBAUGEKV-HUUCEWRRSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)[NH+]3CCCC3)[C@@H]2C1 ZINC001441298596 964453922 /nfs/dbraw/zinc/45/39/22/964453922.db2.gz PKQSYEJBMMCOCI-QKDCVEJESA-N 2 0 293.455 1.563 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC2CC(C)C2)C1 ZINC001441434996 964512621 /nfs/dbraw/zinc/51/26/21/964512621.db2.gz DBCAGETYKDCNCI-LTDGRNPRSA-N 2 0 281.444 1.610 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]CC2CC2)C1 ZINC001441904780 964776631 /nfs/dbraw/zinc/77/66/31/964776631.db2.gz WFMXDAJDOWERLK-LSDHHAIUSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)[NH+](C)C)C1 ZINC001442621050 965142558 /nfs/dbraw/zinc/14/25/58/965142558.db2.gz ZIACDYFNDFGKKF-QWHCGFSZSA-N 2 0 255.406 1.173 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001442810351 965227846 /nfs/dbraw/zinc/22/78/46/965227846.db2.gz XHIZDZSSGBNZMF-HUUCEWRRSA-N 2 0 281.444 1.851 10 0 CDAERP CC[NH2+][C@H]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001444166055 965749406 /nfs/dbraw/zinc/74/94/06/965749406.db2.gz KSXOAPHYPRVETC-KKUMJFAQSA-N 2 0 281.444 1.898 10 0 CDAERP CCc1nccn1[C@@H](C)CC(=O)NC[C@H]1CC[N@@H+]1C(C)C ZINC001446025053 966421663 /nfs/dbraw/zinc/42/16/63/966421663.db2.gz FDDJKSXQJOXFNY-UONOGXRCSA-N 2 0 292.427 1.996 10 0 CDAERP CC(C)=CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001480120797 967113803 /nfs/dbraw/zinc/11/38/03/967113803.db2.gz VRJOGRPRGUJZOI-HNNXBMFYSA-N 2 0 281.444 1.875 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCCCCF)C1 ZINC001480197400 967169097 /nfs/dbraw/zinc/16/90/97/967169097.db2.gz UQARPDASUIMOMF-MJBXVCDLSA-N 2 0 285.407 1.457 10 0 CDAERP CC(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001448645588 967189160 /nfs/dbraw/zinc/18/91/60/967189160.db2.gz CQWCLDHOKSXPRM-ZBFHGGJFSA-N 2 0 295.471 1.811 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC12CCC[NH+](CCC1)C2 ZINC001352465818 967295920 /nfs/dbraw/zinc/29/59/20/967295920.db2.gz PGYOGQQCKAOCNC-UHFFFAOYSA-N 2 0 267.417 1.319 10 0 CDAERP CC[C@H](F)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001449094126 967360899 /nfs/dbraw/zinc/36/08/99/967360899.db2.gz MJCATXDRUCNTKE-QWHCGFSZSA-N 2 0 287.423 1.513 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N(C)CC[NH+]1CCCCC1 ZINC001300155323 967581217 /nfs/dbraw/zinc/58/12/17/967581217.db2.gz LYFNCIUQXRUQNR-CQSZACIVSA-N 2 0 269.433 1.519 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)NC(=O)[C@H](C)CC[NH+](C)C ZINC001450784597 967789302 /nfs/dbraw/zinc/78/93/02/967789302.db2.gz QJLKLMHAGOYTKU-KGLIPLIRSA-N 2 0 271.449 1.811 10 0 CDAERP C[NH+](C)C1(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)CCCC1 ZINC001455416168 968706475 /nfs/dbraw/zinc/70/64/75/968706475.db2.gz KMIUJKFOXNEQQV-KGLIPLIRSA-N 2 0 279.428 1.556 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC001465798858 969896482 /nfs/dbraw/zinc/89/64/82/969896482.db2.gz VAAHXUREUGANAJ-RBSFLKMASA-N 2 0 281.444 1.517 10 0 CDAERP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001467915241 970111416 /nfs/dbraw/zinc/11/14/16/970111416.db2.gz CEXMVFKBSUHMOH-RBSFLKMASA-N 2 0 297.418 1.506 10 0 CDAERP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H](C)CC[NH+](C)C ZINC001470105300 970289864 /nfs/dbraw/zinc/28/98/64/970289864.db2.gz GMSXFHBIKIZOKT-HUUCEWRRSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CC[NH+]1CC[C@@H](F)C1 ZINC001361680147 970414055 /nfs/dbraw/zinc/41/40/55/970414055.db2.gz OKXFRQMCSYCVIJ-QLFBSQMISA-N 2 0 299.434 1.657 10 0 CDAERP C[C@@H](CNC(=O)CC[N@@H+]1CC[C@@H](F)C1)[NH+]1CCC(C)CC1 ZINC001361692766 970429967 /nfs/dbraw/zinc/42/99/67/970429967.db2.gz PCNYFVUBFADAIK-LSDHHAIUSA-N 2 0 299.434 1.657 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)[N@H+](C)C1CC1 ZINC001361897965 970655602 /nfs/dbraw/zinc/65/56/02/970655602.db2.gz BCVWZCKPAAESBK-NFAWXSAZSA-N 2 0 281.444 1.706 10 0 CDAERP CC/C=C/CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001496025421 972758284 /nfs/dbraw/zinc/75/82/84/972758284.db2.gz AYOSMNJODKACSX-KXLSMFKISA-N 2 0 281.444 1.873 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001496229596 972849388 /nfs/dbraw/zinc/84/93/88/972849388.db2.gz JQGDJVMZOSQDQO-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP CC[C@@H](C(=O)N1CCCC[C@@H]1CC[NH2+]CCCO)[NH+](C)C ZINC001496412777 972913722 /nfs/dbraw/zinc/91/37/22/972913722.db2.gz WNQPEZYATWGTAB-CABCVRRESA-N 2 0 299.459 1.070 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1CC[NH2+]C[C@@H](C)O ZINC001496418929 972916605 /nfs/dbraw/zinc/91/66/05/972916605.db2.gz LSNQPSJNACXTQS-HUUCEWRRSA-N 2 0 299.459 1.070 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)NC[C@H]1CCC[N@@H+]1CC1CC1 ZINC001372511984 972989333 /nfs/dbraw/zinc/98/93/33/972989333.db2.gz QRJPSUSCYXGXPD-CABCVRRESA-N 2 0 299.434 1.657 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)C(C)C ZINC001496640882 973003985 /nfs/dbraw/zinc/00/39/85/973003985.db2.gz DJJJCRUQVKRLHA-ZIAGYGMSSA-N 2 0 287.423 1.561 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001496837106 973113502 /nfs/dbraw/zinc/11/35/02/973113502.db2.gz YIXFZFVNZVAHTQ-KGLIPLIRSA-N 2 0 269.433 1.374 10 0 CDAERP C[C@@H](CC[NH2+]CC1CC1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001497208330 973244411 /nfs/dbraw/zinc/24/44/11/973244411.db2.gz QSXAGGMCVUCEMP-ZFWWWQNUSA-N 2 0 281.444 1.755 10 0 CDAERP CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001497207379 973245862 /nfs/dbraw/zinc/24/58/62/973245862.db2.gz YAXSVXMEIXKFBB-UKRRQHHQSA-N 2 0 281.444 1.898 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C)CC[NH2+]C/C=C/Cl)[NH+](C)C ZINC001497269249 973270774 /nfs/dbraw/zinc/27/07/74/973270774.db2.gz XRAQGNIHVXAUOR-OWVOXGNYSA-N 2 0 275.824 1.564 10 0 CDAERP CCCN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@@H+](C(C)C)C1 ZINC001373130211 973278263 /nfs/dbraw/zinc/27/82/63/973278263.db2.gz PTGIVODITGHMDG-HNNXBMFYSA-N 2 0 281.444 1.804 10 0 CDAERP CCCC[N@@H+]1CC[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001373235483 973316854 /nfs/dbraw/zinc/31/68/54/973316854.db2.gz KGXODDVMNAWBRB-HNNXBMFYSA-N 2 0 293.455 1.711 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001417858461 973424574 /nfs/dbraw/zinc/42/45/74/973424574.db2.gz XKXAZDFXVPWMTP-QLFBSQMISA-N 2 0 281.444 1.659 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ocnc2C)C1)[NH+](C)C ZINC001418110568 973592091 /nfs/dbraw/zinc/59/20/91/973592091.db2.gz QLCLFLMBQLYZBW-XQQFMLRXSA-N 2 0 294.399 1.060 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1csc(C)c1)[NH+](C)C ZINC001418245433 973691798 /nfs/dbraw/zinc/69/17/98/973691798.db2.gz MANDEMGBSQHBDZ-BXUZGUMPSA-N 2 0 297.468 1.991 10 0 CDAERP CCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001498280091 973806680 /nfs/dbraw/zinc/80/66/80/973806680.db2.gz INEGICPQKOWXRU-ZIAGYGMSSA-N 2 0 269.433 1.706 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]C(C)C)C(C)C ZINC001374455005 973953489 /nfs/dbraw/zinc/95/34/89/973953489.db2.gz RUPMQWJKPPGALV-LSDHHAIUSA-N 2 0 283.460 2.000 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001374552789 974016563 /nfs/dbraw/zinc/01/65/63/974016563.db2.gz YAJCHUCKXSGULV-CABCVRRESA-N 2 0 283.460 1.765 10 0 CDAERP CC(C)[NH2+]C1(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001499371834 974240593 /nfs/dbraw/zinc/24/05/93/974240593.db2.gz QBATVMATZPTGSQ-CQSZACIVSA-N 2 0 281.444 1.898 10 0 CDAERP CC(C)[NH2+]C[C@H](NC(=O)[C@@]12CC[N@H+](C1)CCC2)C1CC1 ZINC001375274201 974310687 /nfs/dbraw/zinc/31/06/87/974310687.db2.gz WAANZSJKMXVGAL-HOCLYGCPSA-N 2 0 279.428 1.365 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC[N@@H+]1CCOC ZINC001375605410 974434341 /nfs/dbraw/zinc/43/43/41/974434341.db2.gz COTWWYDTBLLDET-RRFJBIMHSA-N 2 0 299.459 1.188 10 0 CDAERP CCC(CC)C[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001375848478 974495569 /nfs/dbraw/zinc/49/55/69/974495569.db2.gz YSINFURSEZTSOP-MRXNPFEDSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C[NH2+]CC1CC1 ZINC001501133220 974539409 /nfs/dbraw/zinc/53/94/09/974539409.db2.gz UMPOUODJKYIESJ-HIFRSBDPSA-N 2 0 281.444 1.422 10 0 CDAERP CC[C@@H](F)CN1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001376073223 974553672 /nfs/dbraw/zinc/55/36/72/974553672.db2.gz SSSNYAVXEMJVKT-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@H+](CCC(C)(C)C)C2)CC1 ZINC001376154673 974586968 /nfs/dbraw/zinc/58/69/68/974586968.db2.gz RLIGIWBZHHXUCE-AWEZNQCLSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001501581125 974602279 /nfs/dbraw/zinc/60/22/79/974602279.db2.gz ATYFXGVDDGPPFT-HUUCEWRRSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[C@@H](C(=O)N1CC[C@@H](CC[NH2+]CCF)C1)[NH+](C)C ZINC001501578355 974602847 /nfs/dbraw/zinc/60/28/47/974602847.db2.gz JQIAYANGCHDEJM-KGLIPLIRSA-N 2 0 287.423 1.370 10 0 CDAERP CC[C@H](F)CN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001376306389 974626558 /nfs/dbraw/zinc/62/65/58/974626558.db2.gz JYJGJJFSAJJJIO-MELADBBJSA-N 2 0 285.407 1.361 10 0 CDAERP C[NH+]1CCC(CC(=O)N[C@H]2C[C@@H]([NH2+]C/C=C\Cl)C2)CC1 ZINC001376490202 974674920 /nfs/dbraw/zinc/67/49/20/974674920.db2.gz SRDZPBIBEXTCAM-JIWWZPHESA-N 2 0 299.846 1.708 10 0 CDAERP C[NH+](C)CCCC(=O)N1CC2(C1)CC[NH+](CCF)CC2 ZINC001376623231 974699368 /nfs/dbraw/zinc/69/93/68/974699368.db2.gz IQHNFHBLSSHXGB-UHFFFAOYSA-N 2 0 285.407 1.222 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+](C(C)C)CC1 ZINC001502147585 974706944 /nfs/dbraw/zinc/70/69/44/974706944.db2.gz LWTJXEFUXUMCPG-AWEZNQCLSA-N 2 0 269.433 1.706 10 0 CDAERP CCCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)CC[NH+](C)C)O2 ZINC001502438870 974739064 /nfs/dbraw/zinc/73/90/64/974739064.db2.gz KGFFVWOOHLVNPR-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]C/C=C\Cl ZINC001376728537 974746641 /nfs/dbraw/zinc/74/66/41/974746641.db2.gz CJGFJVJNUWVHTI-WFMXKNRHSA-N 2 0 287.835 1.708 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N2CCC(C)([NH2+]CCF)CC2)C1 ZINC001502805884 974787498 /nfs/dbraw/zinc/78/74/98/974787498.db2.gz YUKBQLWQJJHIGZ-CYBMUJFWSA-N 2 0 285.407 1.268 10 0 CDAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC1CC(C)C1 ZINC001376855542 974794307 /nfs/dbraw/zinc/79/43/07/974794307.db2.gz NXPQZLFXUWJGDY-ROKHWSDSSA-N 2 0 279.428 1.223 10 0 CDAERP CC[C@H](C)C[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001376979100 974827271 /nfs/dbraw/zinc/82/72/71/974827271.db2.gz NHFMXUNUJGGSHD-LSDHHAIUSA-N 2 0 283.460 1.907 10 0 CDAERP CC[C@H](C(=O)NCC[N@H+](C)C[C@@H]1CC(C)(C)CO1)[NH+](C)C ZINC001377186203 974917820 /nfs/dbraw/zinc/91/78/20/974917820.db2.gz ZXVAAYTVMSOUIW-UONOGXRCSA-N 2 0 299.459 1.190 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)CC[C@H](C)F ZINC001377279602 974955583 /nfs/dbraw/zinc/95/55/83/974955583.db2.gz ZAISQEPHWFRLHU-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)[NH2+][C@H](C)[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001505715972 974971748 /nfs/dbraw/zinc/97/17/48/974971748.db2.gz BDBZLSZSUZTLMX-KGLIPLIRSA-N 2 0 269.433 1.610 10 0 CDAERP CCOCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001506065846 975105803 /nfs/dbraw/zinc/10/58/03/975105803.db2.gz XHHGPASHZMMUPY-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP CCCC[N@@H+]1CC[C@H](CCNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001377727004 975120104 /nfs/dbraw/zinc/12/01/04/975120104.db2.gz YMKPDADQXVXMSU-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@H](C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001506829112 975230428 /nfs/dbraw/zinc/23/04/28/975230428.db2.gz SJZOTZMIAVXWPH-YHUYYLMFSA-N 2 0 293.455 1.422 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]CCF)C1CC1 ZINC001507013844 975295431 /nfs/dbraw/zinc/29/54/31/975295431.db2.gz ZTOMEYRYHWBPOA-GJZGRUSLSA-N 2 0 299.434 1.657 10 0 CDAERP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC1CCCC1 ZINC001507080545 975329448 /nfs/dbraw/zinc/32/94/48/975329448.db2.gz ZABXULMUCGDTIL-IIAWOOMASA-N 2 0 295.471 1.953 10 0 CDAERP CC[NH2+][C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)c1ccccc1 ZINC001404398638 975380415 /nfs/dbraw/zinc/38/04/15/975380415.db2.gz VIPCXRKKXRKOBB-GOEBONIOSA-N 2 0 289.423 1.795 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]Cc2ccccn2)CN1C(=O)CC[NH+](C)C ZINC001507316884 975413991 /nfs/dbraw/zinc/41/39/91/975413991.db2.gz FVEUGECCOLKSMC-HIFRSBDPSA-N 2 0 290.411 1.112 10 0 CDAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C[NH2+]CC1CCCC1 ZINC001378611552 975415229 /nfs/dbraw/zinc/41/52/29/975415229.db2.gz WUMIITJHGPRHRY-HUUCEWRRSA-N 2 0 295.471 1.860 10 0 CDAERP CC1CC[NH+](CC(=O)N[C@H]2CC[C@H](C[NH2+]CCF)C2)CC1 ZINC001507413959 975460101 /nfs/dbraw/zinc/46/01/01/975460101.db2.gz CTQTWCIVIYCZGD-GJZGRUSLSA-N 2 0 299.434 1.562 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC2CC(C)C2)C1)[NH+](C)C ZINC001378868952 975523504 /nfs/dbraw/zinc/52/35/04/975523504.db2.gz JEVIZFKPAXBCIJ-KDQUWOQTSA-N 2 0 295.471 1.857 10 0 CDAERP CC[C@H](C)C[NH+]1CC(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001404923051 975544294 /nfs/dbraw/zinc/54/42/94/975544294.db2.gz PJIBMUCSRNCJQA-UONOGXRCSA-N 2 0 281.444 1.422 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001388783827 975593335 /nfs/dbraw/zinc/59/33/35/975593335.db2.gz DWQINWOXHQAXNF-MCIONIFRSA-N 2 0 299.434 1.655 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@H]21 ZINC001401460060 975670864 /nfs/dbraw/zinc/67/08/64/975670864.db2.gz CQLWCMHZMRUFES-HZPDHXFCSA-N 2 0 295.471 1.905 10 0 CDAERP CC1CC(C[NH2+][C@@H]2CC[C@H](CNC(=O)CC[NH+](C)C)C2)C1 ZINC001397712048 975686659 /nfs/dbraw/zinc/68/66/59/975686659.db2.gz GNDTZRZAKXXTBA-BHDPWAOGSA-N 2 0 295.471 1.859 10 0 CDAERP CO[C@@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001405528647 975766400 /nfs/dbraw/zinc/76/64/00/975766400.db2.gz UQBWFVCRYIZWRK-KKUMJFAQSA-N 2 0 297.443 1.134 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]CCF ZINC001389326144 975770199 /nfs/dbraw/zinc/77/01/99/975770199.db2.gz RTDIQQZFNVBPPJ-KGLIPLIRSA-N 2 0 287.423 1.655 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001398529249 976017850 /nfs/dbraw/zinc/01/78/50/976017850.db2.gz YMMXTDSYPXZNSF-KBPBESRZSA-N 2 0 279.428 1.319 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H]2C[N@H+](CCCF)CC[C@H]21 ZINC001398596876 976066762 /nfs/dbraw/zinc/06/67/62/976066762.db2.gz UEUQPYGSEYBNDW-LSDHHAIUSA-N 2 0 299.434 1.611 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC[C@H](C)F)C1)[NH+](C)C ZINC001398620793 976076900 /nfs/dbraw/zinc/07/69/00/976076900.db2.gz JIEQNVQTMVWJPR-IGQOVBAYSA-N 2 0 287.423 1.558 10 0 CDAERP C[C@H]1C[C@H]([NH2+]CC2CCC2)CCN1C(=O)CC[NH+](C)C ZINC001402055045 976101845 /nfs/dbraw/zinc/10/18/45/976101845.db2.gz RLVMPFCBKUIKJK-DZGCQCFKSA-N 2 0 281.444 1.707 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H](C[NH2+]CC1CC1)C1CC1 ZINC001379863964 976107813 /nfs/dbraw/zinc/10/78/13/976107813.db2.gz BTCNKJDUTQJLBQ-HOTGVXAUSA-N 2 0 293.455 1.755 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001390063436 976109774 /nfs/dbraw/zinc/10/97/74/976109774.db2.gz KNMHOKJDWLOHJI-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@H](NC(=O)CC[NH+](C)C)[C@@H]1CCC[N@H+](CC2CCC2)C1 ZINC001390204677 976169994 /nfs/dbraw/zinc/16/99/94/976169994.db2.gz WGDBWGVSPLTWFQ-GOEBONIOSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC)CCC1(F)F ZINC001402239487 976196109 /nfs/dbraw/zinc/19/61/09/976196109.db2.gz IDKAVFXLWDHZTF-GFCCVEGCSA-N 2 0 291.386 1.422 10 0 CDAERP Cc1cnc(C[NH2+]C[C@H](C)NC(=O)C[NH+]2CCCC2)s1 ZINC001406563730 976256635 /nfs/dbraw/zinc/25/66/35/976256635.db2.gz PPOAZDNGXWGAGW-NSHDSACASA-N 2 0 296.440 1.142 10 0 CDAERP CN(C(=O)CC[NH+](C)C)C1C[NH+](CC2CC3(CCC3)C2)C1 ZINC001380244426 976308400 /nfs/dbraw/zinc/30/84/00/976308400.db2.gz ZCPLBPIZAOUPGC-UHFFFAOYSA-N 2 0 293.455 1.661 10 0 CDAERP CC[C@H](C[NH2+]C[C@H]1CCCN1C(=O)C[NH+]1CCCC1)OC ZINC001380289845 976334971 /nfs/dbraw/zinc/33/49/71/976334971.db2.gz JNIZDVRJLLKCOE-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CCC(C)(C)C ZINC001399107569 976344837 /nfs/dbraw/zinc/34/48/37/976344837.db2.gz JRRZMRBFMPYBTP-CYBMUJFWSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)(C(=O)NC[C@H]1CCC[N@H+](CCF)C1)[NH+]1CCCC1 ZINC001402666108 976432371 /nfs/dbraw/zinc/43/23/71/976432371.db2.gz KLLARCIOBOKYDL-CQSZACIVSA-N 2 0 299.434 1.659 10 0 CDAERP C[N@H+](CCCF)CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001390778342 976499904 /nfs/dbraw/zinc/49/99/04/976499904.db2.gz LIFINOIUQNDUSR-KGLIPLIRSA-N 2 0 285.407 1.411 10 0 CDAERP Cc1ncoc1C[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001407119478 976563577 /nfs/dbraw/zinc/56/35/77/976563577.db2.gz MHLNORHOJRLBJB-ZDUSSCGKSA-N 2 0 294.399 1.015 10 0 CDAERP CC(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001402945337 976608976 /nfs/dbraw/zinc/60/89/76/976608976.db2.gz YPKTUVQYDUUCBO-OAHLLOKOSA-N 2 0 283.460 1.907 10 0 CDAERP CC[NH2+][C@H](C)[C@@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001403001856 976654779 /nfs/dbraw/zinc/65/47/79/976654779.db2.gz SVJSIBQVGHTTHV-GHMZBOCLSA-N 2 0 283.441 1.926 10 0 CDAERP CC[N@H+](CCNC(=O)CC[NH+](C)C)CC1CC(F)(F)C1 ZINC001399747187 976667699 /nfs/dbraw/zinc/66/76/99/976667699.db2.gz BFIGMRMDWODVRV-UHFFFAOYSA-N 2 0 291.386 1.422 10 0 CDAERP Cc1ncsc1C[NH2+][C@@H](C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001403026470 976668453 /nfs/dbraw/zinc/66/84/53/976668453.db2.gz ABACIYXDWJQCEL-QWRGUYRKSA-N 2 0 298.456 1.386 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+](C/C=C/Cl)C2)C1 ZINC001391104096 976694251 /nfs/dbraw/zinc/69/42/51/976694251.db2.gz VMFSRSHXRRVPNA-WVHFKYGJSA-N 2 0 299.846 1.519 10 0 CDAERP CCC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001391313446 976809366 /nfs/dbraw/zinc/80/93/66/976809366.db2.gz DPLCJHYOTHUSKT-JYJNAYRXSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)[NH2+]CCC(C)(C)C ZINC001381421824 976817677 /nfs/dbraw/zinc/81/76/77/976817677.db2.gz PRSHEWHOCYIMPS-CHWSQXEVSA-N 2 0 271.449 1.857 10 0 CDAERP C[C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1nccs1 ZINC001403349255 976899433 /nfs/dbraw/zinc/89/94/33/976899433.db2.gz NHNNJQBUKSMZLO-NEPJUHHUSA-N 2 0 296.440 1.222 10 0 CDAERP CC[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001403414319 976940400 /nfs/dbraw/zinc/94/04/00/976940400.db2.gz TYCFVRWOVIVRSH-UKRRQHHQSA-N 2 0 281.444 1.898 10 0 CDAERP CC1(C)CN(CCF)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001381869382 977063451 /nfs/dbraw/zinc/06/34/51/977063451.db2.gz WEAANOIULLLBFA-CQSZACIVSA-N 2 0 299.434 1.659 10 0 CDAERP CC[C@@H](C[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)OC ZINC001403663444 977132822 /nfs/dbraw/zinc/13/28/22/977132822.db2.gz IYBPIWDQUOPXBS-KKUMJFAQSA-N 2 0 299.459 1.190 10 0 CDAERP COC[C@@H](C)[NH2+][C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC1(C)C ZINC001382391048 977270438 /nfs/dbraw/zinc/27/04/38/977270438.db2.gz VILQNSXFEPOALW-KGLIPLIRSA-N 2 0 299.459 1.188 10 0 CDAERP COC[C@H](C)[N@H+](C)CCN(C(=O)[C@H]1CC[NH+](C)C1)C(C)C ZINC001403949376 977277756 /nfs/dbraw/zinc/27/77/56/977277756.db2.gz WHPUVNNMNVVKCQ-GJZGRUSLSA-N 2 0 299.459 1.142 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CCCF)C1 ZINC001392351473 977419683 /nfs/dbraw/zinc/41/96/83/977419683.db2.gz SYNWYDMJCNBJMX-ZIAGYGMSSA-N 2 0 285.407 1.221 10 0 CDAERP CC(C)[NH2+]C[C@@H](O)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001392385827 977424480 /nfs/dbraw/zinc/42/44/80/977424480.db2.gz ZONKCUVNSJZANT-CQSZACIVSA-N 2 0 299.459 1.115 10 0 CDAERP Cc1cc(CN(C)C[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)on1 ZINC001392637919 977520211 /nfs/dbraw/zinc/52/02/11/977520211.db2.gz JYYXGVVNGPWOQW-OCCSQVGLSA-N 2 0 294.399 1.014 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001392863247 977629672 /nfs/dbraw/zinc/62/96/72/977629672.db2.gz LFUCZJCZGZQWAJ-UKRRQHHQSA-N 2 0 299.434 1.657 10 0 CDAERP CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](F)C[NH+](CC)CC ZINC001393043727 977684839 /nfs/dbraw/zinc/68/48/39/977684839.db2.gz DMLSALLDAVZSDD-STQMWFEESA-N 2 0 273.396 1.267 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCCF)CC1(C)C ZINC001393770621 977911487 /nfs/dbraw/zinc/91/14/87/977911487.db2.gz TXQGKPKRUMSCLH-ZDUSSCGKSA-N 2 0 287.423 1.514 10 0 CDAERP CC/C=C/CC[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001492853270 978545542 /nfs/dbraw/zinc/54/55/42/978545542.db2.gz CQDMXNKOZBFZFD-VBROQKIQSA-N 2 0 267.417 1.342 10 0 CDAERP CC(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001674948944 1174042715 /nfs/dbraw/zinc/04/27/15/1174042715.db2.gz NDDRSXCRHCQDBA-UONOGXRCSA-N 2 0 269.433 1.563 10 0 CDAERP CC/C=C/CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001676318915 1174207510 /nfs/dbraw/zinc/20/75/10/1174207510.db2.gz VPYYDQZDYDYJMM-CNBITHIKSA-N 2 0 281.444 1.873 10 0 CDAERP CCCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001676586439 1174243430 /nfs/dbraw/zinc/24/34/30/1174243430.db2.gz BWVULWXWPKHJDO-CABCVRRESA-N 2 0 299.459 1.116 10 0 CDAERP CCOCC[C@H](O)C[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001656574084 1171846168 /nfs/dbraw/zinc/84/61/68/1171846168.db2.gz OBURYBHECMYRCF-YESZJQIVSA-N 2 0 296.455 1.582 10 0 CDAERP CCO[C@@H]1C[N@H+](CCCc2ccc(C)nc2)C[C@H]1C[NH3+] ZINC000650714423 398156500 /nfs/dbraw/zinc/15/65/00/398156500.db2.gz CALZYHVPLIAYNW-HZPDHXFCSA-N 2 0 277.412 1.618 10 0 CDAERP CN(CC[NH+](C)C)[C@H](C[NH3+])c1ccc(Cl)s1 ZINC000082539708 178089256 /nfs/dbraw/zinc/08/92/56/178089256.db2.gz XPSWGOIDRNJMBK-SECBINFHSA-N 2 0 261.822 1.895 10 0 CDAERP Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1CN(C)C[C@H]1C)C2 ZINC000531691389 361780018 /nfs/dbraw/zinc/78/00/18/361780018.db2.gz XGPUGTWEDSCDNU-RIEGTJTDSA-N 2 0 260.385 1.182 10 0 CDAERP C[C@@H](NC[C@@H](O)C[N@H+](C)C1CC1)c1ccc2c(c1)OCO2 ZINC000351572479 361767583 /nfs/dbraw/zinc/76/75/83/361767583.db2.gz DJONUYZAABBKEA-BXUZGUMPSA-N 2 0 292.379 1.521 10 0 CDAERP CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@H](CC[NH3+])CC1 ZINC000616601102 361783125 /nfs/dbraw/zinc/78/31/25/361783125.db2.gz OEBCFEOFWJFTQE-CYBMUJFWSA-N 2 0 285.432 1.962 10 0 CDAERP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000618984751 349571549 /nfs/dbraw/zinc/57/15/49/349571549.db2.gz YQXYQYHIEQKIEB-CABCVRRESA-N 2 0 281.444 1.565 10 0 CDAERP C[N@@H+]1CCC[C@H]1CN[C@H]1CC[NH+](C)[C@@H]2CCC[C@@H]21 ZINC000624272112 342144954 /nfs/dbraw/zinc/14/49/54/342144954.db2.gz ZDYXUSTXOZYHOG-LJISPDSOSA-N 2 0 251.418 1.543 10 0 CDAERP C[N@@H+]1CC[C@@]2(CC[NH+](CCOC3CCOCC3)C2)C1 ZINC000625445660 342166945 /nfs/dbraw/zinc/16/69/45/342166945.db2.gz GSPPWXIHCGUSKC-OAHLLOKOSA-N 2 0 268.401 1.210 10 0 CDAERP COC(=O)C[C@@H]1CC[C@H]([NH2+]C2CC([NH+](C)C)C2)[C@H]1C ZINC000567123337 361889591 /nfs/dbraw/zinc/88/95/91/361889591.db2.gz DUFOHANXEAVADU-LFSIAQGGSA-N 2 0 268.401 1.646 10 0 CDAERP CCN(C)C[C@H](O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000625778085 342198399 /nfs/dbraw/zinc/19/83/99/342198399.db2.gz MILKEBVIEAFOHN-XQQFMLRXSA-N 2 0 258.431 1.269 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)CCc1n[nH]c2ccccc21 ZINC000629404437 361934306 /nfs/dbraw/zinc/93/43/06/361934306.db2.gz MUTZDZNDLGVJPI-ZDUSSCGKSA-N 2 0 290.411 1.710 10 0 CDAERP COC(=O)[C@H](CC(C)C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000351849266 362000938 /nfs/dbraw/zinc/00/09/38/362000938.db2.gz DLUQIEYHEZBVAA-AWEZNQCLSA-N 2 0 270.417 1.848 10 0 CDAERP [NH3+][C@H]1CCC[C@H](NC(=O)N2CCC3(CC[NH2+]C3)CC2)C1 ZINC000334954721 539060259 /nfs/dbraw/zinc/06/02/59/539060259.db2.gz DVVJEPQJAAVEGT-STQMWFEESA-N 2 0 280.416 1.041 10 0 CDAERP NC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000339070055 539067452 /nfs/dbraw/zinc/06/74/52/539067452.db2.gz WANOPBCDTWDHOZ-RFGFWPKPSA-N 2 0 265.401 1.247 10 0 CDAERP COCC[N@H+](C)CCC[NH2+][C@H]1CC[C@@H](C)SC1 ZINC000655688697 539062640 /nfs/dbraw/zinc/06/26/40/539062640.db2.gz BCLRYFPNWOONKK-OLZOCXBDSA-N 2 0 260.447 1.828 10 0 CDAERP C[C@@H](C(=O)NCCNc1cc[nH+]cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000534523471 282198999 /nfs/dbraw/zinc/19/89/99/282198999.db2.gz TWYFKVJDSDFCPQ-MJBXVCDLSA-N 2 0 290.411 1.293 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000594921721 342987770 /nfs/dbraw/zinc/98/77/70/342987770.db2.gz RWHGBALLIJZSDR-LXTVHRRPSA-N 2 0 282.428 1.894 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645107082 362120558 /nfs/dbraw/zinc/12/05/58/362120558.db2.gz LRULQWUQJOXSGO-AJNGGQMLSA-N 2 0 279.428 1.365 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000645107085 362120694 /nfs/dbraw/zinc/12/06/94/362120694.db2.gz LRULQWUQJOXSGO-ZQDZILKHSA-N 2 0 279.428 1.365 10 0 CDAERP CCC[C@@H](C)CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000629511951 362122603 /nfs/dbraw/zinc/12/26/03/362122603.db2.gz NYGUNRFPKFXPTO-CABCVRRESA-N 2 0 283.460 1.990 10 0 CDAERP CCOC(=O)[C@H](C)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595901255 343187095 /nfs/dbraw/zinc/18/70/95/343187095.db2.gz UAAHYNULZLDBRE-JSGCOSHPSA-N 2 0 268.401 1.650 10 0 CDAERP COC(=O)C1CCC([NH2+]CC23CC(C2)C[NH2+]3)CC1 ZINC000596102552 343227810 /nfs/dbraw/zinc/22/78/10/343227810.db2.gz CXROMHWSCFPUAK-UHFFFAOYSA-N 2 0 252.358 1.060 10 0 CDAERP OC[C@@H]1C[NH2+]C[C@H]1C1CC[NH+](Cc2ccncc2)CC1 ZINC000169789006 362135258 /nfs/dbraw/zinc/13/52/58/362135258.db2.gz GTOMWRMHKMKFDF-HOTGVXAUSA-N 2 0 275.396 1.122 10 0 CDAERP CCO[C@H](C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)C1CC1 ZINC000629519892 362138754 /nfs/dbraw/zinc/13/87/54/362138754.db2.gz SAHACBNJBWYBCX-BYNSBNAKSA-N 2 0 252.402 1.861 10 0 CDAERP CCc1nc(C)c([C@H](C)[NH2+]CCOCC[NH2+]C)s1 ZINC000629528724 362155744 /nfs/dbraw/zinc/15/57/44/362155744.db2.gz HTGGJLXWOOFLEG-JTQLQIEISA-N 2 0 271.430 1.901 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1nc2c(s1)CCCC2 ZINC000629529996 362161301 /nfs/dbraw/zinc/16/13/01/362161301.db2.gz SKCDQILYWANICH-NSHDSACASA-N 2 0 283.441 1.909 10 0 CDAERP OCC1(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)COC1 ZINC000089127848 342387793 /nfs/dbraw/zinc/38/77/93/342387793.db2.gz KNVYQOYVTIXZQB-MRXNPFEDSA-N 2 0 296.455 1.583 10 0 CDAERP COc1cncc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000629532082 362163647 /nfs/dbraw/zinc/16/36/47/362163647.db2.gz LBUCLVHZNKUNOO-KGLIPLIRSA-N 2 0 290.411 1.697 10 0 CDAERP C[C@H](Nc1nc(N)[nH+]c2c1CCCC2)C(C)(C)C[NH+](C)C ZINC000645180425 362225056 /nfs/dbraw/zinc/22/50/56/362225056.db2.gz ABWDIKRSJHXFDR-NSHDSACASA-N 2 0 291.443 1.578 10 0 CDAERP C[NH2+][C@H](C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000054076414 343709693 /nfs/dbraw/zinc/70/96/93/343709693.db2.gz LDLBTLLUMNVTFI-CQSZACIVSA-N 2 0 289.423 1.897 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)[C@H]2CCc3nc[nH]c3C2)C[N@@H+]1C1CC1 ZINC000612109162 347024143 /nfs/dbraw/zinc/02/41/43/347024143.db2.gz ZMWQSQZUUKPWRI-GRYCIOLGSA-N 2 0 288.395 1.256 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000262289172 344696941 /nfs/dbraw/zinc/69/69/41/344696941.db2.gz NEECQOAWYRKDST-SOUVJXGZSA-N 2 0 281.444 1.885 10 0 CDAERP CN(CC(C)(C)C[NH3+])C(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262403423 282367319 /nfs/dbraw/zinc/36/73/19/282367319.db2.gz ALFXWDGMMPNKJX-UPJWGTAASA-N 2 0 267.417 1.350 10 0 CDAERP COC(=O)[C@@H]1CCC[N@H+](CCCc2cncn2C)C1 ZINC000314148354 344909906 /nfs/dbraw/zinc/90/99/06/344909906.db2.gz QRQSDFJFXVRQDK-GFCCVEGCSA-N 2 0 265.357 1.238 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)CC2([NH3+])CCCC2)C1 ZINC000084183854 178818313 /nfs/dbraw/zinc/81/83/13/178818313.db2.gz NOOXKFOLCFHGDP-CYBMUJFWSA-N 2 0 267.417 1.495 10 0 CDAERP C[NH+](C)C1(CNC(=O)[C@@]2(C)CCC[NH2+]2)CCCCC1 ZINC000079519455 362662006 /nfs/dbraw/zinc/66/20/06/362662006.db2.gz XBPRSBZOUZVDCL-CQSZACIVSA-N 2 0 267.417 1.509 10 0 CDAERP C[C@H]1CC[C@@H]([N@H+](C)CCN2CC[NH2+]CC2)C[C@@H]1C ZINC000084991663 178940585 /nfs/dbraw/zinc/94/05/85/178940585.db2.gz VHKAGFQZKGOSSU-SOUVJXGZSA-N 2 0 253.434 1.648 10 0 CDAERP C[C@@H]1CN(CCC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C[C@H](C)O1 ZINC000623344989 346072395 /nfs/dbraw/zinc/07/23/95/346072395.db2.gz MDEVPKCUWWXTIT-XHSDSOJGSA-N 2 0 297.487 1.948 10 0 CDAERP C[NH+](C)CCN1CCC([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623354455 346081707 /nfs/dbraw/zinc/08/17/07/346081707.db2.gz VRXMIRJINFWGQF-INIZCTEOSA-N 3 0 296.503 1.475 10 0 CDAERP C[C@@H](Cn1cncn1)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623382558 346117306 /nfs/dbraw/zinc/11/73/06/346117306.db2.gz KSDDVBUJCDZGCF-RYUDHWBXSA-N 2 0 251.378 1.129 10 0 CDAERP CC[C@H](C)[NH+]1CCN(CCCC[C@](C)(O)C[NH3+])CC1 ZINC000085302174 179011019 /nfs/dbraw/zinc/01/10/19/179011019.db2.gz CTUSMANKPGKQNN-GJZGRUSLSA-N 2 0 271.449 1.283 10 0 CDAERP C[C@@](O)(C[NH3+])CCC[N@@H+]1CCOc2ccccc2C1 ZINC000085303114 179011328 /nfs/dbraw/zinc/01/13/28/179011328.db2.gz BFSCQDGGJYSZRU-HNNXBMFYSA-N 2 0 264.369 1.371 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCn1cnc2c1CC[NH2+]C2 ZINC000085567017 179095457 /nfs/dbraw/zinc/09/54/57/179095457.db2.gz CJEYASJGZVMOGY-CYBMUJFWSA-N 2 0 262.401 1.793 10 0 CDAERP CC[C@H](C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)OC ZINC000412978985 362740827 /nfs/dbraw/zinc/74/08/27/362740827.db2.gz ROLGLRYQWUVZOV-HZPDHXFCSA-N 2 0 283.460 1.513 10 0 CDAERP COCCOCC[N@@H+]1C[C@H](C(C)(C)C)[NH2+]CC[C@@H]1C ZINC000085624541 179106617 /nfs/dbraw/zinc/10/66/17/179106617.db2.gz QYXZLDNVGAEXGJ-UONOGXRCSA-N 2 0 272.433 1.748 10 0 CDAERP C[N@@H+]1CC[C@H](n2c3c(nc2C(F)(F)F)C[NH2+]CC3)C1 ZINC000085573237 179098083 /nfs/dbraw/zinc/09/80/83/179098083.db2.gz IIWSQDXZDYEFLP-QMMMGPOBSA-N 2 0 274.290 1.424 10 0 CDAERP C[C@]1(C2CC2)C[N@H+](CCCn2ccnc2)CCC[NH2+]1 ZINC000085612874 179103398 /nfs/dbraw/zinc/10/33/98/179103398.db2.gz SKSMUGBRHVTEDL-OAHLLOKOSA-N 2 0 262.401 1.737 10 0 CDAERP C1CC1c1nnc([C@@H]2CCC[N@@H+](C3CC[NH2+]CC3)C2)[nH]1 ZINC000584615043 346499991 /nfs/dbraw/zinc/49/99/91/346499991.db2.gz HWYBAHVPFRGCQQ-GFCCVEGCSA-N 2 0 275.400 1.614 10 0 CDAERP C[N@@H+]1CC[C@@H](C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000085674307 179111744 /nfs/dbraw/zinc/11/17/44/179111744.db2.gz BVHFFBUTIJSYMC-FQUUOJAGSA-N 2 0 252.402 1.731 10 0 CDAERP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccnc(C)c1 ZINC000623443231 346757667 /nfs/dbraw/zinc/75/76/67/346757667.db2.gz VQBLYBFBHSIPBC-HNNXBMFYSA-N 2 0 265.401 1.836 10 0 CDAERP C[C@@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)C1CC[NH+](C)CC1 ZINC000085968842 179206808 /nfs/dbraw/zinc/20/68/08/179206808.db2.gz MNDQZMPJAMLEGL-SNPRPXQTSA-N 2 0 254.418 1.857 10 0 CDAERP CC[C@](C[NH3+])(C1CC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000086120757 179234534 /nfs/dbraw/zinc/23/45/34/179234534.db2.gz QAVIWKRQSQTWIT-GJZGRUSLSA-N 2 0 251.418 1.674 10 0 CDAERP CC(C)[C@@H]1CN(C[C@@H]2CC[N@H+](C)C2)[C@@H](C(C)C)C[NH2+]1 ZINC000086171868 179243820 /nfs/dbraw/zinc/24/38/20/179243820.db2.gz DORSVWIUZDKLRX-OWCLPIDISA-N 2 0 267.461 1.893 10 0 CDAERP C[C@@H]1C[NH2+][C@@H](Cc2ccccc2)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086172117 179244699 /nfs/dbraw/zinc/24/46/99/179244699.db2.gz SOMYXSCOTCFKIS-BPQIPLTHSA-N 2 0 287.451 1.986 10 0 CDAERP CC[C@@H]1C[NH2+]C(C)(C)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086182746 179248113 /nfs/dbraw/zinc/24/81/13/179248113.db2.gz PBOYSCDCVRFZMY-ZIAGYGMSSA-N 2 0 251.418 1.543 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]C[C@H](CO)c2cccnc2)CC1(C)C ZINC000623525528 347615484 /nfs/dbraw/zinc/61/54/84/347615484.db2.gz QSFXWTQRDALGLP-HUUCEWRRSA-N 2 0 277.412 1.620 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+][C@H](CO)C2CCCC2)CC1(C)C ZINC000623528878 347617592 /nfs/dbraw/zinc/61/75/92/347617592.db2.gz JFVFPLDNYJROHD-ZIAGYGMSSA-N 2 0 254.418 2.000 10 0 CDAERP C[N@@H+]1CC[C@H](NC[C@@H]2CCCC[NH+]2CCO)CC1(C)C ZINC000623536084 347620121 /nfs/dbraw/zinc/62/01/21/347620121.db2.gz LOAVFLFJRCKYTE-GJZGRUSLSA-N 2 0 283.460 1.296 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)CC1(C)C ZINC000623560107 347632139 /nfs/dbraw/zinc/63/21/39/347632139.db2.gz VSAYFHJIXFIDKN-STQMWFEESA-N 2 0 279.428 1.460 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CCOCC(F)F)CC1(C)C ZINC000623505145 347607971 /nfs/dbraw/zinc/60/79/71/347607971.db2.gz QJIDKWSHUVHNAS-SNVBAGLBSA-N 2 0 250.333 1.731 10 0 CDAERP [NH3+]C[C@H]1CC[C@H](CNC(=O)N2CC[NH+]3CCC2CC3)CC1 ZINC000641853625 365942789 /nfs/dbraw/zinc/94/27/89/365942789.db2.gz HXKCNGDRZDXVBT-HDJSIYSDSA-N 2 0 294.443 1.241 10 0 CDAERP C[C@H]1CN(C(=O)NC/C=C/C[NH3+])CC[N@@H+](C2CCC2)C1 ZINC000641863113 365947880 /nfs/dbraw/zinc/94/78/80/365947880.db2.gz XZJDVCNUXLNOAZ-YWVDXFKGSA-N 2 0 280.416 1.017 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000064508606 348942501 /nfs/dbraw/zinc/94/25/01/348942501.db2.gz BPPCPUBZVIHRSW-CYBMUJFWSA-N 2 0 279.428 1.604 10 0 CDAERP C[C@@H]1CCC[C@@](CNC2=[NH+]CCCN2)([NH+](C)C)C1 ZINC000066245720 348977706 /nfs/dbraw/zinc/97/77/06/348977706.db2.gz ROUFSNMHTDJPRE-TZMCWYRMSA-N 2 0 252.406 1.436 10 0 CDAERP C[C@H]1CCC[C@](CNC2=[NH+]CCCN2)([NH+](C)C)C1 ZINC000066245723 348977845 /nfs/dbraw/zinc/97/78/45/348977845.db2.gz ROUFSNMHTDJPRE-JSGCOSHPSA-N 2 0 252.406 1.436 10 0 CDAERP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000091547242 349332961 /nfs/dbraw/zinc/33/29/61/349332961.db2.gz QHTIMAYBRLZTAU-OLZOCXBDSA-N 2 0 261.369 1.814 10 0 CDAERP COC1CC[NH+](CCCOC2CC[NH2+]CC2)CC1 ZINC000104389265 185989547 /nfs/dbraw/zinc/98/95/47/185989547.db2.gz VXDUCDURRDSCNQ-UHFFFAOYSA-N 2 0 256.390 1.256 10 0 CDAERP C[C@@H]1CC[C@H](N[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)C[NH2+]1 ZINC000629538503 362955521 /nfs/dbraw/zinc/95/55/21/362955521.db2.gz KGVFPLPNPOIUID-XLWJZTARSA-N 2 0 251.418 1.589 10 0 CDAERP CCO[C@H](C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)C1CC1 ZINC000629534831 362959534 /nfs/dbraw/zinc/95/95/34/362959534.db2.gz CRLRCFBCOYKDCX-CABCVRRESA-N 2 0 252.402 1.877 10 0 CDAERP COc1ccc2c(c1F)CC[C@@H]2[NH2+]CCOCCC[NH3+] ZINC000629535322 362961061 /nfs/dbraw/zinc/96/10/61/362961061.db2.gz BXUQQVYSCMCGJQ-ZDUSSCGKSA-N 2 0 282.359 1.777 10 0 CDAERP CC(=O)Nc1cccc([C@H](C)[NH2+]CCOCCC[NH3+])c1 ZINC000629540973 362963409 /nfs/dbraw/zinc/96/34/09/362963409.db2.gz QGUHCRBOPRXZAQ-LBPRGKRZSA-N 2 0 279.384 1.661 10 0 CDAERP C[C@@H](Cc1ccccc1F)[NH2+]CCOCCC[NH3+] ZINC000629541465 362965628 /nfs/dbraw/zinc/96/56/28/362965628.db2.gz ZXZTWHMJJNCCOD-LBPRGKRZSA-N 2 0 254.349 1.712 10 0 CDAERP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621698905 350728204 /nfs/dbraw/zinc/72/82/04/350728204.db2.gz ILOZLZBXKUPLCQ-XHDPSFHLSA-N 2 0 274.368 1.101 10 0 CDAERP CCn1nccc1CC[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000621774460 350771337 /nfs/dbraw/zinc/77/13/37/350771337.db2.gz VAFQVPKYHWRNRC-STQMWFEESA-N 2 0 250.390 1.505 10 0 CDAERP C[C@@H](CC(=O)N1CCC([NH+](C)C)CC1)[C@H]1CCC[NH2+]C1 ZINC000156005351 295825327 /nfs/dbraw/zinc/82/53/27/295825327.db2.gz RNMBGSHNLXUGHP-KBPBESRZSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000333628198 363066920 /nfs/dbraw/zinc/06/69/20/363066920.db2.gz SJKQTVHUOXOUOY-CABCVRRESA-N 2 0 296.459 1.548 10 0 CDAERP CC1(C)[C@@H](C[NH2+]C[C@@H](O)C[NH+]2CCCC2)C1(F)F ZINC000629585254 363051904 /nfs/dbraw/zinc/05/19/04/363051904.db2.gz ORLKQTAYZZSLQQ-GHMZBOCLSA-N 2 0 262.344 1.324 10 0 CDAERP CC(C)N1C(=O)C[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)CC1(C)C ZINC000414747250 366070629 /nfs/dbraw/zinc/07/06/29/366070629.db2.gz UEHBTQHQOGMKIQ-UONOGXRCSA-N 2 0 281.444 1.706 10 0 CDAERP O[C@H](C[NH2+]CC[C@H]1CC=CCC1)C[NH+]1CCCC1 ZINC000629597540 363134088 /nfs/dbraw/zinc/13/40/88/363134088.db2.gz MFKSGGWLQYOPHF-LSDHHAIUSA-N 2 0 252.402 1.779 10 0 CDAERP CC[C@@]1(C)CCC[N@@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000360425638 363215189 /nfs/dbraw/zinc/21/51/89/363215189.db2.gz DAKFISFZPUDDFH-CJNGLKHVSA-N 2 0 295.427 1.188 10 0 CDAERP Cc1cc(N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)nc(C2CC2)n1 ZINC000333931028 363232712 /nfs/dbraw/zinc/23/27/12/363232712.db2.gz ZPZCAOVINWHDLR-YNEHKIRRSA-N 2 0 258.369 1.836 10 0 CDAERP Cc1ccc(CCC[NH2+]CC2([NH3+])CCOCC2)cn1 ZINC000629653022 363252179 /nfs/dbraw/zinc/25/21/79/363252179.db2.gz FJCULZMLDOBABF-UHFFFAOYSA-N 2 0 263.385 1.420 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1ccc(N2CCCC2)nc1 ZINC000629654228 363256597 /nfs/dbraw/zinc/25/65/97/363256597.db2.gz OBZGEAKRFOCGKQ-UHFFFAOYSA-N 2 0 292.427 1.350 10 0 CDAERP CN(C[C@@H](O)C[NH2+]CC(C)(C)[C@H]1CCCCO1)C1CC1 ZINC000644589596 366219870 /nfs/dbraw/zinc/21/98/70/366219870.db2.gz DWIDARUISSTZFB-LSDHHAIUSA-N 2 0 284.444 1.626 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCCc3cc(C[NH3+])ccc32)CC[NH2+]1 ZINC000365425867 291038343 /nfs/dbraw/zinc/03/83/43/291038343.db2.gz YFVMXLBDUMOVKH-WFASDCNBSA-N 2 0 287.407 1.813 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCO[C@@H]2CCOC2)[C@@H]2CCC[C@@H]21 ZINC000353404044 283135612 /nfs/dbraw/zinc/13/56/12/283135612.db2.gz LTJZUSPHSSZXMJ-UGUYLWEFSA-N 2 0 282.428 1.644 10 0 CDAERP C[N@@H+]1CC[C@H](NCC[NH+]2CCCCC2)[C@@H]2CCC[C@@H]21 ZINC000367539066 283135968 /nfs/dbraw/zinc/13/59/68/283135968.db2.gz WCUUPMBBVQMGHC-JYJNAYRXSA-N 2 0 265.445 1.935 10 0 CDAERP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634765966 358503551 /nfs/dbraw/zinc/50/35/51/358503551.db2.gz LNJXLOSQVYLEKI-YCPHGPKFSA-N 2 0 279.428 1.176 10 0 CDAERP COC(=O)[C@H]1CCC[N@@H+](C2CCC3(C[C@H]3[NH3+])CC2)C1 ZINC000725271069 538461684 /nfs/dbraw/zinc/46/16/84/538461684.db2.gz WHCSOWNOJXLOAE-OYNVLQORSA-N 2 0 266.385 1.531 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C1(C[NH3+])CCOCC1 ZINC000262375407 290501352 /nfs/dbraw/zinc/50/13/52/290501352.db2.gz WMXKEVQSTVDLHT-KBPBESRZSA-N 2 0 297.443 1.121 10 0 CDAERP CCC(C)(C)CC[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420349913 535351212 /nfs/dbraw/zinc/35/12/12/535351212.db2.gz QYIPICQJFZVXAN-CQSZACIVSA-N 2 0 253.434 1.792 10 0 CDAERP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@]2(O)CCCOC2)C1 ZINC000659976692 412651534 /nfs/dbraw/zinc/65/15/34/412651534.db2.gz USHUWTLKTXDPLT-LSDHHAIUSA-N 2 0 270.417 1.192 10 0 CDAERP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)C[C@@](C)(O)C2CC2)C1 ZINC000634716296 357423977 /nfs/dbraw/zinc/42/39/77/357423977.db2.gz RVEKBROMIGMTNA-VNQPRFMTSA-N 2 0 284.444 1.220 10 0 CDAERP C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)[C@H]1CC[NH2+]C1 ZINC000089749444 357503386 /nfs/dbraw/zinc/50/33/86/357503386.db2.gz BASCJVZEFJSSQD-OAHLLOKOSA-N 3 0 265.445 1.794 10 0 CDAERP Cc1cc(C[NH3+])oc1C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634740914 358188364 /nfs/dbraw/zinc/18/83/64/358188364.db2.gz MUAFMHOBMPZVKD-GASCZTMLSA-N 2 0 277.368 1.118 10 0 CDAERP CC[C@@H]1CN(CC[NH+]2CCCCC2)CC[N@@H+]1C[C@@H](C)O ZINC000132283529 358551227 /nfs/dbraw/zinc/55/12/27/358551227.db2.gz PQTYZPWZVLKGMO-HZPDHXFCSA-N 2 0 283.460 1.249 10 0 CDAERP O=C(C[C@@H]1CCC[NH2+]C1)NCCC[NH+]1CCCCC1 ZINC000054305921 358713837 /nfs/dbraw/zinc/71/38/37/358713837.db2.gz MZGANZCULWJEHR-AWEZNQCLSA-N 2 0 267.417 1.368 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCOC)[NH+](CC)CC ZINC000345774454 358880243 /nfs/dbraw/zinc/88/02/43/358880243.db2.gz YIEQFQXZGOXPNO-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP [NH3+]CCC[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000414769146 366519855 /nfs/dbraw/zinc/51/98/55/366519855.db2.gz WEGXAVJOFUGMEP-CYBMUJFWSA-N 2 0 262.401 1.748 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000070552273 358969422 /nfs/dbraw/zinc/96/94/22/358969422.db2.gz XFIIYIRJBXLCLS-OAHLLOKOSA-N 2 0 287.407 1.498 10 0 CDAERP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCC2(CC[NH2+]2)CC1 ZINC000335228262 359069118 /nfs/dbraw/zinc/06/91/18/359069118.db2.gz UAUIIHBYSWISSD-KGLIPLIRSA-N 2 0 292.427 1.151 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000346969078 359114792 /nfs/dbraw/zinc/11/47/92/359114792.db2.gz KIPUBBQUMYKGSF-UMVBOHGHSA-N 2 0 279.428 1.554 10 0 CDAERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)C1 ZINC000261993988 359117273 /nfs/dbraw/zinc/11/72/73/359117273.db2.gz TUOOGGNJPOCWRM-KLHDSHLOSA-N 2 0 281.444 1.075 10 0 CDAERP CC(C)(C)[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C[C@@H]1O ZINC000262020417 359123729 /nfs/dbraw/zinc/12/37/29/359123729.db2.gz WEGGRCOQFKLMGU-KGLIPLIRSA-N 2 0 254.418 1.715 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CN1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000262103562 359134300 /nfs/dbraw/zinc/13/43/00/359134300.db2.gz VUIPWVGJWKPSND-IRXDYDNUSA-N 3 0 294.487 1.088 10 0 CDAERP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000237078647 359233007 /nfs/dbraw/zinc/23/30/07/359233007.db2.gz MFPAQNHHZFBUOL-MCIONIFRSA-N 2 0 267.417 1.447 10 0 CDAERP CCC[C@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309704140 359300806 /nfs/dbraw/zinc/30/08/06/359300806.db2.gz HDCMHBSJVJABFG-CVEARBPZSA-N 2 0 289.423 1.752 10 0 CDAERP COc1cccc(CC[NH2+]C2CCC(C[NH3+])CC2)n1 ZINC000423005680 359735077 /nfs/dbraw/zinc/73/50/77/359735077.db2.gz MVIUCTIOGVAUNG-UHFFFAOYSA-N 2 0 263.385 1.740 10 0 CDAERP COC[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)C(C)C ZINC000423501177 359825984 /nfs/dbraw/zinc/82/59/84/359825984.db2.gz CRGWUFUVKKQIRF-UYSNPLJNSA-N 2 0 283.460 1.463 10 0 CDAERP C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000262455673 283502860 /nfs/dbraw/zinc/50/28/60/283502860.db2.gz UBINSUYUNAEGGV-ZNMIVQPWSA-N 2 0 279.428 1.365 10 0 CDAERP CNC(=O)CCOC1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000348258269 359944567 /nfs/dbraw/zinc/94/45/67/359944567.db2.gz WHTYFBMILAXETE-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP CN1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1=O ZINC000424383937 360033093 /nfs/dbraw/zinc/03/30/93/360033093.db2.gz UPWOITOCLLBVAH-LJISPDSOSA-N 2 0 279.428 1.365 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@]12C[NH+]=C(N)N2Cc1ccccc1 ZINC000169260058 360161307 /nfs/dbraw/zinc/16/13/07/360161307.db2.gz TXUHXKLIEPBWOI-DOMZBBRYSA-N 2 0 258.369 1.185 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000335435010 360176278 /nfs/dbraw/zinc/17/62/78/360176278.db2.gz GNJXIJYFMKAYOX-OLZOCXBDSA-N 2 0 282.432 1.382 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)NCC[NH+]2CCC2)CC1 ZINC000337675723 360343959 /nfs/dbraw/zinc/34/39/59/360343959.db2.gz BPNJCYLSNMSXKZ-UHFFFAOYSA-N 2 0 282.432 1.112 10 0 CDAERP CC(=O)N1CCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000514943419 360407879 /nfs/dbraw/zinc/40/78/79/360407879.db2.gz DHQFUFFVXCXCAD-UHFFFAOYSA-N 2 0 287.407 1.387 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]C2CCC(NC(C)=O)CC2)[C@@H](C)C1 ZINC000348758244 360569767 /nfs/dbraw/zinc/56/97/67/360569767.db2.gz ZWYZWICVQYCSNL-MFNGEMCRSA-N 2 0 281.444 1.754 10 0 CDAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000335611425 360548016 /nfs/dbraw/zinc/54/80/16/360548016.db2.gz CAUMNIAWTFXKKS-KBPBESRZSA-N 2 0 296.459 1.500 10 0 CDAERP C[C@H]1C[C@H](N(C)CC(=O)NC(=O)NC(C)(C)C)CC[N@@H+]1C ZINC000123293526 360606188 /nfs/dbraw/zinc/60/61/88/360606188.db2.gz UNCPQHPNZYPRDU-NWDGAFQWSA-N 2 0 298.431 1.025 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C[NH2+]1 ZINC000626918326 360630921 /nfs/dbraw/zinc/63/09/21/360630921.db2.gz YWUXUKSOPHXYQR-VXGBXAGGSA-N 2 0 296.459 1.735 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C[NH2+]1 ZINC000626938011 360658507 /nfs/dbraw/zinc/65/85/07/360658507.db2.gz LYDPGTFKGUJBJH-ZOBORPQBSA-N 2 0 280.416 1.053 10 0 CDAERP C[C@H](CNC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1)C[NH+]1CCCCC1 ZINC000626943369 360670609 /nfs/dbraw/zinc/67/06/09/360670609.db2.gz CMUPALNMJWUIBF-QLFBSQMISA-N 2 0 296.459 1.548 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@H]2[NH2+]CC2(C)C)cc1 ZINC000644077145 363778895 /nfs/dbraw/zinc/77/88/95/363778895.db2.gz XQHDNRZOVSUCLX-ZWNOBZJWSA-N 2 0 261.369 1.321 10 0 CDAERP C[C@H](CC[NH3+])NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000417952669 361640825 /nfs/dbraw/zinc/64/08/25/361640825.db2.gz YIXJJBOXMLFDLQ-YUELXQCFSA-N 2 0 290.411 1.468 10 0 CDAERP CCn1ccnc1CNC(=O)NC[C@@H]1CCC[N@H+](CC)C1 ZINC000455289135 252387986 /nfs/dbraw/zinc/38/79/86/252387986.db2.gz CCUJRMXBGBOVOX-ZDUSSCGKSA-N 2 0 293.415 1.434 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)NC[C@@H](C)[NH+](CC)CC)CC1 ZINC000458716791 364178817 /nfs/dbraw/zinc/17/88/17/364178817.db2.gz RVFGOAOYBYDBKD-LSDHHAIUSA-N 2 0 298.475 1.842 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)C[NH+](C)C1CCC1 ZINC000629948272 364224593 /nfs/dbraw/zinc/22/45/93/364224593.db2.gz DKUGYVVNHBCSQM-CYBMUJFWSA-N 2 0 267.417 1.461 10 0 CDAERP CC1CC[NH+](CCCNC(=O)N2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000170826850 364367412 /nfs/dbraw/zinc/36/74/12/364367412.db2.gz HRCWYFYEKIABEM-OAHLLOKOSA-N 2 0 296.459 1.454 10 0 CDAERP Cc1nc(F)ccc1C[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000278353698 366836882 /nfs/dbraw/zinc/83/68/82/366836882.db2.gz IBQXAMIWWVXOMK-ZDUSSCGKSA-N 2 0 294.418 1.502 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCNC(=O)c2ccco2)[C@@H]2CCC[C@H]21 ZINC000367603223 364692058 /nfs/dbraw/zinc/69/20/58/364692058.db2.gz YLUSBQUHIUPJOP-MELADBBJSA-N 2 0 291.395 1.472 10 0 CDAERP Cc1ccc2nc(CN3CC[N@H+](CCO)[C@H](C)C3)cn2c1 ZINC000187673601 364799840 /nfs/dbraw/zinc/79/98/40/364799840.db2.gz LAHRHYXCEYMLTA-CQSZACIVSA-N 2 0 288.395 1.141 10 0 CDAERP CC[C@H](Cn1cncn1)[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000353381975 365172732 /nfs/dbraw/zinc/17/27/32/365172732.db2.gz GWCDWSRVHIFGOH-HUUCEWRRSA-N 2 0 279.432 1.768 10 0 CDAERP CN(C)c1ccncc1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000353659767 365363485 /nfs/dbraw/zinc/36/34/85/365363485.db2.gz QSTKDXFYHLZZPI-ZFWWWQNUSA-N 2 0 288.395 1.504 10 0 CDAERP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353624221 365340299 /nfs/dbraw/zinc/34/02/99/365340299.db2.gz SZCZFUQJMNSJSB-QMIVOQANSA-N 2 0 279.428 1.364 10 0 CDAERP C[C@]1(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)CCCC[NH2+]1 ZINC000181010669 291355167 /nfs/dbraw/zinc/35/51/67/291355167.db2.gz NXRKTKVTEFZZKF-NVXWUHKLSA-N 2 0 293.455 1.853 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC)C1)[NH+](CC)CC ZINC000414010633 241022900 /nfs/dbraw/zinc/02/29/00/241022900.db2.gz YTKXVLPZMFWTKO-STQMWFEESA-N 2 0 255.406 1.317 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](CO)C2)[C@@H](C)C1 ZINC000414343677 241160946 /nfs/dbraw/zinc/16/09/46/241160946.db2.gz QYERZANLOLYRIL-XQLPTFJDSA-N 2 0 254.418 1.857 10 0 CDAERP C[C@@H]1C[C@@H](C[NH+]2CCN(c3cccc(O)c3)CC2)CC[NH2+]1 ZINC000414682626 241319065 /nfs/dbraw/zinc/31/90/65/241319065.db2.gz RTTSGRSYDGBKGY-CABCVRRESA-N 2 0 289.423 1.902 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000626976692 367120115 /nfs/dbraw/zinc/12/01/15/367120115.db2.gz MKJRJUXNUXETPL-STQMWFEESA-N 2 0 270.421 1.158 10 0 CDAERP FC1(F)CC[NH2+]C[C@@H]1N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000414996290 241506704 /nfs/dbraw/zinc/50/67/04/241506704.db2.gz GKBVUMXLHMDHPB-XQHKEYJVSA-N 2 0 273.371 1.494 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NCC[NH+]2CCCC2(C)C)C1 ZINC000516877172 367204295 /nfs/dbraw/zinc/20/42/95/367204295.db2.gz RBXWQUAOTCLSPZ-ZDUSSCGKSA-N 2 0 267.417 1.319 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627038964 367280695 /nfs/dbraw/zinc/28/06/95/367280695.db2.gz XMOFXHQEDJIUKT-UONOGXRCSA-N 2 0 296.459 1.691 10 0 CDAERP C[C@H]1CN(C)C[C@H]1[NH2+]CCNC(=O)c1ccccc1Cl ZINC000358140374 367463354 /nfs/dbraw/zinc/46/33/54/367463354.db2.gz MWEQSTYMKRFXDW-SMDDNHRTSA-N 2 0 295.814 1.610 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)CC[N@@H+]1C ZINC000630084550 367526602 /nfs/dbraw/zinc/52/66/02/367526602.db2.gz WOKZEYMWQUUMAG-DGAVXFQQSA-N 2 0 281.444 1.562 10 0 CDAERP CC1=CC[NH+](CCNC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000358199350 367508214 /nfs/dbraw/zinc/50/82/14/367508214.db2.gz YWDUTWCKOXHTSP-HUUCEWRRSA-N 2 0 294.443 1.420 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000627160785 367589415 /nfs/dbraw/zinc/58/94/15/367589415.db2.gz MORKOJOABCOSSB-BYNSBNAKSA-N 2 0 294.443 1.395 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)N2CCC(C[NH+](C)C)CC2)C[NH2+]1 ZINC000627197079 367686853 /nfs/dbraw/zinc/68/68/53/367686853.db2.gz YDHFIRJGKOLSBK-TZMCWYRMSA-N 2 0 282.432 1.110 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627198976 367688843 /nfs/dbraw/zinc/68/88/43/367688843.db2.gz ZSQXBIOXZNGHDH-ZIAGYGMSSA-N 2 0 296.459 1.643 10 0 CDAERP CCN(CCC[NH+](CC)CC)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627202408 367695930 /nfs/dbraw/zinc/69/59/30/367695930.db2.gz IYHNFBITZTVHOF-LSDHHAIUSA-N 2 0 298.475 1.890 10 0 CDAERP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)CC1(O)CCC1)C2 ZINC000528520559 367815521 /nfs/dbraw/zinc/81/55/21/367815521.db2.gz XYLTWJLHZCHGLB-LSDHHAIUSA-N 2 0 282.428 1.070 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)COC(C)C)[C@H](C)C1 ZINC000305144817 370891620 /nfs/dbraw/zinc/89/16/20/370891620.db2.gz NEFXZOOVFDWVEG-ILXRZTDVSA-N 2 0 272.433 1.434 10 0 CDAERP C[C@H]([NH2+][C@@H]1CCC[C@H]1C[NH3+])c1ccc2[nH]c(=O)[nH]c2c1 ZINC000251542586 299381833 /nfs/dbraw/zinc/38/18/33/299381833.db2.gz OZHLGHPGHJWHEN-ZMLRMANQSA-N 2 0 274.368 1.634 10 0 CDAERP C[NH+](C)[C@H]1CCCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)C1 ZINC000418406088 243038115 /nfs/dbraw/zinc/03/81/15/243038115.db2.gz BQUZEDMMBBOPHN-LSDHHAIUSA-N 2 0 290.411 1.422 10 0 CDAERP C[C@@H]1CN(C(=O)NC[C@@H]([NH3+])c2ccccc2)[C@@H](C)C[NH2+]1 ZINC000418454965 243099724 /nfs/dbraw/zinc/09/97/24/243099724.db2.gz QYDCXLSBJOCNRC-MBNYWOFBSA-N 2 0 276.384 1.078 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000418464316 243110397 /nfs/dbraw/zinc/11/03/97/243110397.db2.gz POTOHRQUIIZJLG-JMSVASOKSA-N 2 0 290.411 1.646 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000418466413 243111904 /nfs/dbraw/zinc/11/19/04/243111904.db2.gz RIISNCYZVGVXIG-NILFDRSVSA-N 2 0 290.411 1.775 10 0 CDAERP CCC([NH3+])(CC)CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000418473630 243121765 /nfs/dbraw/zinc/12/17/65/243121765.db2.gz UGPARZOSOPONSO-ZDUSSCGKSA-N 2 0 282.432 1.382 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000418584341 243240002 /nfs/dbraw/zinc/24/00/02/243240002.db2.gz XHYBVPGPOVOKOX-HIFRSBDPSA-N 2 0 296.459 1.535 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000418584620 243240477 /nfs/dbraw/zinc/24/04/77/243240477.db2.gz CGUDYQBLKFJSEO-UKRRQHHQSA-N 2 0 296.459 1.535 10 0 CDAERP C[C@H](C[NH3+])C[NH2+]Cc1cnc(-c2ccccn2)s1 ZINC000414874709 368556616 /nfs/dbraw/zinc/55/66/16/368556616.db2.gz IVPYKYBGSOFWRZ-SNVBAGLBSA-N 2 0 262.382 1.890 10 0 CDAERP C[C@H](CNC(=O)N(C)CCC[NH+](C)C)[N@@H+]1CCCC[C@@H]1C ZINC000541785433 368678060 /nfs/dbraw/zinc/67/80/60/368678060.db2.gz QCDUPISEZPQIND-LSDHHAIUSA-N 2 0 298.475 1.842 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC000541855549 368687260 /nfs/dbraw/zinc/68/72/60/368687260.db2.gz FNFCXKWUUNZJHB-CQSZACIVSA-N 2 0 290.411 1.366 10 0 CDAERP COCCOCCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353495193 368905675 /nfs/dbraw/zinc/90/56/75/368905675.db2.gz GZYICIMNNCDKGH-ARFHVFGLSA-N 2 0 284.444 1.892 10 0 CDAERP CC[C@H](CO)[NH+]1CCN(CCCc2ccc(C)nc2)CC1 ZINC000361801298 369049362 /nfs/dbraw/zinc/04/93/62/369049362.db2.gz WARBXQNZRXYJSY-QGZVFWFLSA-N 2 0 291.439 1.711 10 0 CDAERP OCC[C@H]1CSCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420294580 244038711 /nfs/dbraw/zinc/03/87/11/244038711.db2.gz BHIMRAKRARMIMO-OLZOCXBDSA-N 2 0 258.431 1.176 10 0 CDAERP CC(C)C(=O)NCCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000367614251 369197955 /nfs/dbraw/zinc/19/79/55/369197955.db2.gz GBLDWVJHGGZEEA-KFWWJZLASA-N 2 0 281.444 1.611 10 0 CDAERP CN1CC[C@H]([NH2+]CCC[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000420399858 244200945 /nfs/dbraw/zinc/20/09/45/244200945.db2.gz IIFKNSUBQDGYOU-KBPBESRZSA-N 2 0 269.339 1.648 10 0 CDAERP CC[NH2+][C@H](C)C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000638302579 369305601 /nfs/dbraw/zinc/30/56/01/369305601.db2.gz RVVMBESSEHGJPG-UONOGXRCSA-N 2 0 277.412 1.621 10 0 CDAERP CC[NH+](CC)CCn1cc([C@@H]([NH3+])C2CCOCC2)nn1 ZINC000630586404 369329694 /nfs/dbraw/zinc/32/96/94/369329694.db2.gz MNNJETAIERMWBM-AWEZNQCLSA-N 2 0 281.404 1.046 10 0 CDAERP c1c(C[NH2+]C2CCCCC2)nnn1C[C@H]1CCC[NH2+]1 ZINC000630602521 369365218 /nfs/dbraw/zinc/36/52/18/369365218.db2.gz CCWQPPPGGYDMMF-CYBMUJFWSA-N 2 0 263.389 1.452 10 0 CDAERP C[N@H+](CCC(=O)NC[C@@H]1CCC[NH+]1C)C1CCCCC1 ZINC000547733054 369621435 /nfs/dbraw/zinc/62/14/35/369621435.db2.gz QUYCZBCBGOEBQP-HNNXBMFYSA-N 2 0 281.444 1.851 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)C[NH+]2CCCC2)CC[N@@H+]1C ZINC000630775611 369995184 /nfs/dbraw/zinc/99/51/84/369995184.db2.gz IZXLNGGVOFCXEK-SOUVJXGZSA-N 2 0 281.444 1.565 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000246984739 370093585 /nfs/dbraw/zinc/09/35/85/370093585.db2.gz QMZJLJBXHABZPC-DKUMPPAJSA-N 2 0 279.428 1.508 10 0 CDAERP C[C@H](CC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)[C@H]1CCC[NH2+]C1 ZINC000248038140 370102589 /nfs/dbraw/zinc/10/25/89/370102589.db2.gz SEVLHORCHPIKOE-UGUYLWEFSA-N 2 0 293.455 1.707 10 0 CDAERP O=C(C[C@@H]1CSCC[NH2+]1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000371245144 370224354 /nfs/dbraw/zinc/22/43/54/370224354.db2.gz SUKVFMZNCYXYBN-MGPQQGTHSA-N 2 0 297.468 1.072 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000418196858 370287532 /nfs/dbraw/zinc/28/75/32/370287532.db2.gz IKEXEOOTBKWAKR-RRFJBIMHSA-N 2 0 296.459 1.500 10 0 CDAERP CC(=O)Nc1ccc(CNC2CC([NH+](C)C)C2)cc1 ZINC000565372068 370432221 /nfs/dbraw/zinc/43/22/21/370432221.db2.gz IGLZGOSEDDQXKC-UHFFFAOYSA-N 2 0 261.369 1.827 10 0 CDAERP CN(C[C@H](O)C(F)(F)F)C[C@H]1CCC[N@H+](C)C1 ZINC000121363286 370549458 /nfs/dbraw/zinc/54/94/58/370549458.db2.gz YKQWAJPBBJSKEG-UWVGGRQHSA-N 2 0 254.296 1.183 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NC(C)(C)CC[NH3+] ZINC000422591925 245124680 /nfs/dbraw/zinc/12/46/80/245124680.db2.gz NTYNKBYUHLEEQX-LLVKDONJSA-N 2 0 258.410 1.143 10 0 CDAERP C[C@@H](C[NH2+]C[C@H](O)CC1CCCC1)CN1CC[NH+](C)CC1 ZINC000566118262 370615538 /nfs/dbraw/zinc/61/55/38/370615538.db2.gz UAZSNIVQBPMSGW-DOTOQJQBSA-N 2 0 297.487 1.401 10 0 CDAERP C[C@H](N[C@@H](Cc1ccccc1)C[NH+](C)C)[C@H]1CCC[NH2+]1 ZINC000422720837 245178562 /nfs/dbraw/zinc/17/85/62/245178562.db2.gz TZYHHWSMWATITF-BHYGNILZSA-N 2 0 275.440 1.889 10 0 CDAERP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000422733622 245192230 /nfs/dbraw/zinc/19/22/30/245192230.db2.gz BOVZGHUGKUYSCO-KBMXLJTQSA-N 2 0 262.397 1.568 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCc2cnccn2)[C@H]2CCC[C@@H]21 ZINC000375863005 371005517 /nfs/dbraw/zinc/00/55/17/371005517.db2.gz VBPZENARQMKDLX-ILXRZTDVSA-N 2 0 260.385 1.482 10 0 CDAERP COc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1F ZINC000414960482 371075408 /nfs/dbraw/zinc/07/54/08/371075408.db2.gz QVNYJDYSTYDTDY-MFKMUULPSA-N 2 0 252.333 1.922 10 0 CDAERP CC[C@@H](Cn1cncn1)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000340476951 371087182 /nfs/dbraw/zinc/08/71/82/371087182.db2.gz VLGDLTVGUAANHV-HNNXBMFYSA-N 2 0 279.432 1.768 10 0 CDAERP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCCN1CCCC1=O ZINC000422774906 245239897 /nfs/dbraw/zinc/23/98/97/245239897.db2.gz YXGROJCVHNKUEY-OLZOCXBDSA-N 2 0 253.390 1.106 10 0 CDAERP COc1ccccc1N1CC[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])C1 ZINC000422871954 245359759 /nfs/dbraw/zinc/35/97/59/245359759.db2.gz FAYDOKIMIOYPQT-RDBSUJKOSA-N 2 0 277.412 1.989 10 0 CDAERP O=C(N[C@@H]1CCC[NH2+]CC1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000376384011 371196813 /nfs/dbraw/zinc/19/68/13/371196813.db2.gz HPUUBOVBQJSJFQ-DGAVXFQQSA-N 2 0 265.401 1.165 10 0 CDAERP CC(C)(C)N1CC[C@H]([N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)C1=O ZINC000569233107 371244646 /nfs/dbraw/zinc/24/46/46/371244646.db2.gz OTHOVQOWFOYBMF-OLZOCXBDSA-N 2 0 290.411 1.989 10 0 CDAERP C[C@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH+](C)C1CC1 ZINC000377944732 371760138 /nfs/dbraw/zinc/76/01/38/371760138.db2.gz OJVCCMWKBOKGSL-MLGOLLRUSA-N 2 0 299.434 1.798 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N(C2CC2)C2CC[NH2+]CC2)cc1 ZINC000378167573 371850762 /nfs/dbraw/zinc/85/07/62/371850762.db2.gz CHWRLVRSXUECSP-UHFFFAOYSA-N 2 0 273.380 1.502 10 0 CDAERP [NH3+]C1(CNC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CCCCCC1 ZINC000580540235 371984157 /nfs/dbraw/zinc/98/41/57/371984157.db2.gz RXCORHQDLJGPPP-UONOGXRCSA-N 2 0 294.443 1.432 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000233974613 482993497 /nfs/dbraw/zinc/99/34/97/482993497.db2.gz TYHSHMXSJGCSOK-JSGCOSHPSA-N 2 0 267.417 1.223 10 0 CDAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC2(C)CCCCCC2)CC1 ZINC000578522074 372492226 /nfs/dbraw/zinc/49/22/26/372492226.db2.gz ZWOLVMLDVGONKD-INIZCTEOSA-N 2 0 297.487 1.545 10 0 CDAERP C[C@@H]1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)C[C@H]1C[NH3+] ZINC000578649775 372532349 /nfs/dbraw/zinc/53/23/49/372532349.db2.gz IWENICLOKZDLAB-KFWWJZLASA-N 2 0 281.444 1.694 10 0 CDAERP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415052792 372787889 /nfs/dbraw/zinc/78/78/89/372787889.db2.gz LITMPBVWRGOPQA-SOEBMCCKSA-N 3 0 294.487 1.323 10 0 CDAERP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](c1ccccc1)[C@H]1CCOC1 ZINC000581080899 372823089 /nfs/dbraw/zinc/82/30/89/372823089.db2.gz ZDWYCZZPBAQAMJ-GVDBMIGSSA-N 2 0 292.423 1.666 10 0 CDAERP COc1ncccc1CC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000423144375 245604211 /nfs/dbraw/zinc/60/42/11/245604211.db2.gz YTRVMSADXRVGEJ-JSGCOSHPSA-N 2 0 263.385 1.610 10 0 CDAERP CC[C@@H](O)C[N@@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000195296514 372952437 /nfs/dbraw/zinc/95/24/37/372952437.db2.gz AVBKQQGWVMOXON-JKSUJKDBSA-N 2 0 277.412 1.606 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001661739375 1172438243 /nfs/dbraw/zinc/43/82/43/1172438243.db2.gz QFYWIZNOHBUGQK-CYBMUJFWSA-N 2 0 255.406 1.175 10 0 CDAERP [NH3+]C1CCC([NH2+]Cc2n[nH]cc2Br)CC1 ZINC000581720410 373215941 /nfs/dbraw/zinc/21/59/41/373215941.db2.gz SVONNQZZOMIGLY-UHFFFAOYSA-N 2 0 273.178 1.532 10 0 CDAERP C[C@@H]1CN(Cc2nc(-c3ccccc3)no2)C[C@@H]1C[NH3+] ZINC000631842960 373885892 /nfs/dbraw/zinc/88/58/92/373885892.db2.gz HTHZKRKDLUWKCV-YPMHNXCESA-N 2 0 272.352 1.763 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC[NH+]1CCCC[C@@H]1C ZINC000063467332 374199800 /nfs/dbraw/zinc/19/98/00/374199800.db2.gz JHNWBWNIXCKHTD-ZDUSSCGKSA-N 2 0 255.406 1.317 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H](CO)[C@@H](C)c1ccccc1 ZINC000643474450 374272036 /nfs/dbraw/zinc/27/20/36/374272036.db2.gz NMQRFSLBODPBAS-CWRNSKLLSA-N 2 0 280.412 1.495 10 0 CDAERP C[C@@H](CNC(=O)Cn1ccnc1)[N@@H+]1CCc2ccccc2C1 ZINC000564015319 375090174 /nfs/dbraw/zinc/09/01/74/375090174.db2.gz GGSZKGTWXARUID-AWEZNQCLSA-N 2 0 298.390 1.446 10 0 CDAERP CC[NH+](CC)[C@H](CNC(=O)NCCC[NH3+])c1ccco1 ZINC000417318439 375778264 /nfs/dbraw/zinc/77/82/64/375778264.db2.gz YYKPONNKKFXWHZ-GFCCVEGCSA-N 2 0 282.388 1.311 10 0 CDAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C[NH+](CC)C1CC1 ZINC000246369189 376645079 /nfs/dbraw/zinc/64/50/79/376645079.db2.gz YGQRPVZPNYCZPK-HIFRSBDPSA-N 2 0 279.428 1.556 10 0 CDAERP CC[NH2+]CC1CC[NH+](C[C@@H]2CCc3ncnn32)CC1 ZINC000631822349 376645204 /nfs/dbraw/zinc/64/52/04/376645204.db2.gz ZZXYZHUGYZSMRW-ZDUSSCGKSA-N 2 0 263.389 1.087 10 0 CDAERP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc3oc(=O)n(C)c3c2)C1 ZINC000631823828 376649967 /nfs/dbraw/zinc/64/99/67/376649967.db2.gz OSMDANHQUMBZPC-CMPLNLGQSA-N 2 0 275.352 1.301 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CC[NH+]3CCC[C@H]3C2)C1 ZINC000247597946 377157285 /nfs/dbraw/zinc/15/72/85/377157285.db2.gz SXEZTTNWZJRLAV-GJZGRUSLSA-N 2 0 294.443 1.208 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000417448343 377208207 /nfs/dbraw/zinc/20/82/07/377208207.db2.gz UFPVZOFWHFISFB-MELADBBJSA-N 2 0 282.432 1.253 10 0 CDAERP COc1ccccc1[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000248746966 377321489 /nfs/dbraw/zinc/32/14/89/377321489.db2.gz BESRIIWTIRJRTQ-NQKGRLOXSA-N 2 0 290.407 1.943 10 0 CDAERP COc1ccnc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1OC ZINC000249060405 377389052 /nfs/dbraw/zinc/38/90/52/377389052.db2.gz JKKWFVOIJAUTJQ-OLZOCXBDSA-N 2 0 291.395 1.767 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@]2(CC)CCC[NH2+]2)C1 ZINC000128963436 377344400 /nfs/dbraw/zinc/34/44/00/377344400.db2.gz SCVSYSQDEQNPCT-JSGCOSHPSA-N 2 0 253.390 1.119 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)Nc2cc(N(C)C)cc[nH+]2)CC[N@@H+]1C ZINC000632411847 377413287 /nfs/dbraw/zinc/41/32/87/377413287.db2.gz LMRGOLWWXAJEQE-QWHCGFSZSA-N 2 0 276.384 1.816 10 0 CDAERP C[NH+](C)Cc1cccc(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000334853556 377625869 /nfs/dbraw/zinc/62/58/69/377625869.db2.gz XOQWGEVIFMORME-HZPDHXFCSA-N 2 0 287.407 1.572 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091549028 377897127 /nfs/dbraw/zinc/89/71/27/377897127.db2.gz RWEWEVGLWGCGTG-OLZOCXBDSA-N 2 0 255.406 1.160 10 0 CDAERP C[C@@H]1C[C@H]([NH3+])CN1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000632916773 377977194 /nfs/dbraw/zinc/97/71/94/377977194.db2.gz PIWBSOZIXJLVIS-MNOVXSKESA-N 2 0 286.339 1.221 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[NH2+][C@@H](CC)C2)CC[N@@H+]1C ZINC000633656066 378649333 /nfs/dbraw/zinc/64/93/33/378649333.db2.gz KPQQEVGWSLCOOO-ZOBORPQBSA-N 2 0 267.417 1.316 10 0 CDAERP C[NH+](C)CCC[C@H]1C[N@H+](CCCn2ccnc2)CCO1 ZINC000662325680 412896797 /nfs/dbraw/zinc/89/67/97/412896797.db2.gz PJXUMRPFWSEEDI-HNNXBMFYSA-N 2 0 280.416 1.316 10 0 CDAERP CO[C@@H](C[NH+]1CCC([NH2+]C(C)C)CC1)[C@H]1CCOC1 ZINC000660063777 412901663 /nfs/dbraw/zinc/90/16/63/412901663.db2.gz HINYFEKCLJWBKM-ZFWWWQNUSA-N 2 0 270.417 1.500 10 0 CDAERP CC[C@H]1C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)CO1 ZINC000657572620 412905316 /nfs/dbraw/zinc/90/53/16/412905316.db2.gz DAAWTDXKKAZHGF-ZNMIVQPWSA-N 2 0 271.449 1.416 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cscn1 ZINC000657574295 412906443 /nfs/dbraw/zinc/90/64/43/412906443.db2.gz VOMCGZYREGQSFA-LBPRGKRZSA-N 2 0 270.446 1.505 10 0 CDAERP CC(C)C[C@H]([NH3+])c1noc([C@H](F)[C@H]2CC[NH2+]C2)n1 ZINC000634555886 379668901 /nfs/dbraw/zinc/66/89/01/379668901.db2.gz XWOWPUAFJIDYBD-LPEHRKFASA-N 2 0 256.325 1.736 10 0 CDAERP CC[NH+](CC)[C@H](CNC(=O)NCCC[NH3+])CC(C)C ZINC000416943053 284816925 /nfs/dbraw/zinc/81/69/25/284816925.db2.gz BVGYGUTVXOQTOW-ZDUSSCGKSA-N 2 0 272.437 1.391 10 0 CDAERP CO[C@H](C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)[C@@H]1CCOC1 ZINC000660665860 412934496 /nfs/dbraw/zinc/93/44/96/412934496.db2.gz YGTSOVQUUWPTRS-OAGGEKHMSA-N 2 0 282.428 1.456 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2=CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000453297723 252299376 /nfs/dbraw/zinc/29/93/76/252299376.db2.gz TXWPLRRDJIMLTD-KKUMJFAQSA-N 2 0 250.386 1.796 10 0 CDAERP [NH3+]CC1(CCNC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000655968673 412968864 /nfs/dbraw/zinc/96/88/64/412968864.db2.gz DINHUHWURUFZIX-ZIAGYGMSSA-N 2 0 294.443 1.432 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@]2(C)CCC[NH2+]C2)C1 ZINC000655964854 412973643 /nfs/dbraw/zinc/97/36/43/412973643.db2.gz HHDQDJWDJVQWDO-VNHYZAJKSA-N 2 0 282.432 1.016 10 0 CDAERP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000655969919 412983369 /nfs/dbraw/zinc/98/33/69/412983369.db2.gz DENJAHQBVVUXSQ-SYQHCUMBSA-N 2 0 282.432 1.095 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655976014 412989988 /nfs/dbraw/zinc/98/99/88/412989988.db2.gz XTNXIMCTJMCEJQ-IGQOVBAYSA-N 2 0 280.416 1.134 10 0 CDAERP [NH3+]CCCOC1CCN(C(=O)C2([NH3+])CC3(CCC3)C2)CC1 ZINC000662429439 413009715 /nfs/dbraw/zinc/00/97/15/413009715.db2.gz PZDWKFWSKVBBNZ-UHFFFAOYSA-N 2 0 295.427 1.004 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000335285943 285230690 /nfs/dbraw/zinc/23/06/90/285230690.db2.gz VOEYKRRCPJAMGL-ZBFHGGJFSA-N 2 0 294.443 1.256 10 0 CDAERP C[C@H]([NH3+])[C@H](C)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000398237621 390248746 /nfs/dbraw/zinc/24/87/46/390248746.db2.gz ZMSQCTQZELLSDN-RZLSGREXSA-N 2 0 261.413 1.975 10 0 CDAERP CC[C@H](C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21)[NH+](CC)CC ZINC000646915694 390299578 /nfs/dbraw/zinc/29/95/78/390299578.db2.gz SUEBXIQTKIJSJD-MCIONIFRSA-N 2 0 267.417 1.269 10 0 CDAERP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)[C@H](C)[NH3+])o1 ZINC000647067943 390386961 /nfs/dbraw/zinc/38/69/61/390386961.db2.gz DQXGVNCPFGOXJC-QWRGUYRKSA-N 2 0 267.373 1.587 10 0 CDAERP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000647245653 390623279 /nfs/dbraw/zinc/62/32/79/390623279.db2.gz ZDMHXVCHZHOLDR-DMRZNYOFSA-N 2 0 275.396 1.841 10 0 CDAERP C[N@@H+]1C[C@@H](CNCc2ncc[nH]2)[C@H](c2ccccc2)C1 ZINC000647248531 390654723 /nfs/dbraw/zinc/65/47/23/390654723.db2.gz GHBJEXBCFSPSMD-CABCVRRESA-N 2 0 270.380 1.845 10 0 CDAERP C[C@@]1(C[N@@H+]2CC[C@]3(C2)c2ccccc2NC3=O)CC[NH2+]C1 ZINC000647538783 390687416 /nfs/dbraw/zinc/68/74/16/390687416.db2.gz HNEHJBBRHVHBGD-SJORKVTESA-N 2 0 285.391 1.582 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000237549141 390850539 /nfs/dbraw/zinc/85/05/39/390850539.db2.gz FRKITYISRKGKFE-XJFOESAGSA-N 2 0 267.417 1.350 10 0 CDAERP C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000648209733 390952803 /nfs/dbraw/zinc/95/28/03/390952803.db2.gz AXQNXAJQGGWOPB-QWHCGFSZSA-N 2 0 281.444 1.802 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000404930693 390967496 /nfs/dbraw/zinc/96/74/96/390967496.db2.gz MDFBJWMSQRHQRS-STQMWFEESA-N 2 0 255.406 1.303 10 0 CDAERP COc1ccc(CCN[C@@H]2C[NH2+]C[C@@H](C)C2)cc1F ZINC000647549036 390992443 /nfs/dbraw/zinc/99/24/43/390992443.db2.gz GHNSXKWJVVAXRB-AAEUAGOBSA-N 2 0 266.360 1.964 10 0 CDAERP CC(C)C[C@H]([NH3+])C[NH2+][C@H](C)[C@H](C)N1CCOCC1 ZINC000415080931 390997394 /nfs/dbraw/zinc/99/73/94/390997394.db2.gz MJYXJOVJDXICIY-RDBSUJKOSA-N 2 0 257.422 1.059 10 0 CDAERP C[C@@H]1C[C@@H](C[NH2+]CCc2cn3ccccc3n2)CC[NH2+]1 ZINC000415120401 391038350 /nfs/dbraw/zinc/03/83/50/391038350.db2.gz YCJIUDOOYWOCDN-KGLIPLIRSA-N 2 0 272.396 1.855 10 0 CDAERP CC/C=C/CC[N@H+](CC)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001663442759 1172697012 /nfs/dbraw/zinc/69/70/12/1172697012.db2.gz FFQJNTLHFBUOHT-AATRIKPKSA-N 2 0 293.455 1.877 10 0 CDAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000418031411 391346326 /nfs/dbraw/zinc/34/63/26/391346326.db2.gz TUUIOGYCDIUXNY-UONOGXRCSA-N 2 0 296.459 1.406 10 0 CDAERP CCCN(CC[NH+](CC)CC)C(=O)NCCC[NH3+] ZINC000418355100 391375560 /nfs/dbraw/zinc/37/55/60/391375560.db2.gz OZFYYAJYVAZSMB-UHFFFAOYSA-N 2 0 258.410 1.099 10 0 CDAERP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CC1=O ZINC000353621335 391398185 /nfs/dbraw/zinc/39/81/85/391398185.db2.gz MBQKGRVVUCDJGR-RDGWLKQMSA-N 2 0 291.439 1.458 10 0 CDAERP C[C@@H]1C[N@H+](C)C[C@@H]1NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000358306328 391547648 /nfs/dbraw/zinc/54/76/48/391547648.db2.gz UPXVDWDPSWPPJG-XLNGHYISSA-N 2 0 295.471 1.294 10 0 CDAERP CC(C)[NH+]1CCN(C2CC[NH+](CC[C@H](C)O)CC2)CC1 ZINC000425412554 391549827 /nfs/dbraw/zinc/54/98/27/391549827.db2.gz AGJHXHHTHYFAOJ-HNNXBMFYSA-N 2 0 283.460 1.248 10 0 CDAERP CCC[NH2+][C@H](C)C(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000417830180 391498820 /nfs/dbraw/zinc/49/88/20/391498820.db2.gz IXNOLZMUCDEMNL-MGPQQGTHSA-N 2 0 267.417 1.365 10 0 CDAERP CCCCOC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000193251800 391621699 /nfs/dbraw/zinc/62/16/99/391621699.db2.gz JYWDPGXFBRABAF-BZUAXINKSA-N 2 0 284.444 1.580 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCCC[NH2+]C1CC1 ZINC000417531973 391643138 /nfs/dbraw/zinc/64/31/38/391643138.db2.gz KEFAQVVEVPFVPA-OKILXGFUSA-N 2 0 296.459 1.691 10 0 CDAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCC[NH+]1CCCC1 ZINC000161868488 391607321 /nfs/dbraw/zinc/60/73/21/391607321.db2.gz CBSLDYJFQJEAMD-LSDHHAIUSA-N 2 0 251.418 1.641 10 0 CDAERP O=C1C[C@@H]([C@@H]2CCCC[N@@H+]2CCCC2CC[NH2+]CC2)CN1 ZINC000647991183 391679503 /nfs/dbraw/zinc/67/95/03/391679503.db2.gz HSAXYAWCEXYZRY-CVEARBPZSA-N 2 0 293.455 1.757 10 0 CDAERP [NH3+]CC1(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CCCC1 ZINC000649319015 392011501 /nfs/dbraw/zinc/01/15/01/392011501.db2.gz AIRNSXKFVJXDTR-UHFFFAOYSA-N 2 0 285.351 1.725 10 0 CDAERP C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)C2CCCCC2)C1 ZINC000249113491 391943636 /nfs/dbraw/zinc/94/36/36/391943636.db2.gz RQFFFUYSJURMFZ-DZGCQCFKSA-N 2 0 254.418 1.811 10 0 CDAERP Cc1nc([C@@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)no1 ZINC000261829042 392023995 /nfs/dbraw/zinc/02/39/95/392023995.db2.gz STVLWNNDSUDTBT-LBPRGKRZSA-N 2 0 250.346 1.515 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@H](CO)Cc1cccc(C)c1 ZINC000423071450 392316178 /nfs/dbraw/zinc/31/61/78/392316178.db2.gz OGJWMUVCBBCLNU-CVEARBPZSA-N 2 0 280.412 1.242 10 0 CDAERP Cc1nn(C)c(C)c1CCC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000423019827 392277505 /nfs/dbraw/zinc/27/75/05/392277505.db2.gz XIOSWOYAIKEFBA-LRDDRELGSA-N 2 0 278.444 1.947 10 0 CDAERP Cc1nn(C)c(C)c1CCC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000423019829 392278452 /nfs/dbraw/zinc/27/84/52/392278452.db2.gz XIOSWOYAIKEFBA-WBMJQRKESA-N 2 0 278.444 1.947 10 0 CDAERP C[C@@H](NC(=O)N[C@H]1CC[NH2+]C12CCC2)C1=CC[N@H+](C)CC1 ZINC000529319059 392322649 /nfs/dbraw/zinc/32/26/49/392322649.db2.gz BICREANYYMEXQN-OCCSQVGLSA-N 2 0 292.427 1.221 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NCCC[NH2+]Cc1cccnc1 ZINC000423182498 392422681 /nfs/dbraw/zinc/42/26/81/392422681.db2.gz FANLWPAODGXLKE-UKRRQHHQSA-N 2 0 262.401 1.149 10 0 CDAERP C[C@@H]1C[C@H](NCCC[NH2+]Cc2cccnc2)CC[N@@H+]1C ZINC000423189953 392430123 /nfs/dbraw/zinc/43/01/23/392430123.db2.gz QJJYJJQEVNTXDV-GDBMZVCRSA-N 3 0 276.428 1.634 10 0 CDAERP C[C@@H](C[NH3+])N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000423360978 392541237 /nfs/dbraw/zinc/54/12/37/392541237.db2.gz GJFGAFBFOMUGNW-DZKIICNBSA-N 2 0 261.413 1.834 10 0 CDAERP CCCC[C@H](C[NH3+])N[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000423295586 392492375 /nfs/dbraw/zinc/49/23/75/392492375.db2.gz FJOQLKBCIUCXNI-KBUPBQIOSA-N 2 0 253.434 1.966 10 0 CDAERP CC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)[C@H](O)C(F)F ZINC000449421891 392774447 /nfs/dbraw/zinc/77/44/47/392774447.db2.gz JWCGLVCSPLMXQD-NEPJUHHUSA-N 2 0 264.360 1.853 10 0 CDAERP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@@H]2CCO[C@H](C)C2)CC1 ZINC000449743683 392894922 /nfs/dbraw/zinc/89/49/22/392894922.db2.gz AGZFZBLKUVFIBK-HZPDHXFCSA-N 2 0 297.487 1.807 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)[C@@H]1C ZINC000495080903 393173794 /nfs/dbraw/zinc/17/37/94/393173794.db2.gz SQHSOYMOZCYNHA-SYQHCUMBSA-N 2 0 267.417 1.208 10 0 CDAERP C[NH+](C)CC1(C(=O)NCC[N@H+](C)C2CC2)CCCCC1 ZINC000495096747 393177567 /nfs/dbraw/zinc/17/75/67/393177567.db2.gz CUTGRVMILKNCRU-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CCC(=O)NC1(C)C)N1CCC[C@@H](C)C1 ZINC000494889507 393122777 /nfs/dbraw/zinc/12/27/77/393122777.db2.gz LAQWOXANBQAEGC-MGPQQGTHSA-N 2 0 281.444 1.754 10 0 CDAERP C[NH+](C)CC1(C[NH2+][C@H]2CCC(=O)NC2(C)C)CCCC1 ZINC000494939529 393135065 /nfs/dbraw/zinc/13/50/65/393135065.db2.gz JXDWERYNNSMBDK-ZDUSSCGKSA-N 2 0 281.444 1.755 10 0 CDAERP Cc1nccn1C[C@H]1CCCN1CC(=O)OC(C)(C)C ZINC000178293542 140003746 /nfs/dbraw/zinc/00/37/46/140003746.db2.gz JAEVHSWLWRRKIV-CYBMUJFWSA-N 2 0 279.384 1.998 10 0 CDAERP C[C@H]([NH2+]Cc1cnc[nH]1)c1ccc(-n2ccnn2)cc1 ZINC000179098376 140013376 /nfs/dbraw/zinc/01/33/76/140013376.db2.gz ZCFGUBUXDNUFTO-NSHDSACASA-N 2 0 268.324 1.841 10 0 CDAERP C[C@@H](CCn1cccn1)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000183713854 140029977 /nfs/dbraw/zinc/02/99/77/140029977.db2.gz GHRWYHCIDZAIQD-LSDHHAIUSA-N 2 0 280.416 1.098 10 0 CDAERP C[NH+](C)C1CCN(CC[NH2+][C@@H]2COC3(CCC3)C2)CC1 ZINC000657899020 413078017 /nfs/dbraw/zinc/07/80/17/413078017.db2.gz SQWNESXOBMUIHJ-AWEZNQCLSA-N 2 0 281.444 1.314 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)CN1CCCCC1 ZINC000234800320 140231512 /nfs/dbraw/zinc/23/15/12/140231512.db2.gz PTKHCCCBGSMTCC-KBPBESRZSA-N 2 0 257.422 1.204 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H]1C[NH+](C(C)C)C[C@H]1C ZINC000247003718 140285668 /nfs/dbraw/zinc/28/56/68/140285668.db2.gz GXAXXXFGZFDADC-ILXRZTDVSA-N 2 0 298.475 1.745 10 0 CDAERP Nc1cc[nH+]cc1C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250170016 140302193 /nfs/dbraw/zinc/30/21/93/140302193.db2.gz LMMZIGUTXIOSBB-QWRGUYRKSA-N 2 0 260.341 1.020 10 0 CDAERP C[C@H]([NH3+])CCC(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000251804418 140312753 /nfs/dbraw/zinc/31/27/53/140312753.db2.gz MCFNODFSRGGEOM-YDHLFZDLSA-N 2 0 269.433 1.741 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000252801511 140326732 /nfs/dbraw/zinc/32/67/32/140326732.db2.gz TZDLFMPAVORRDL-WBVHZDCISA-N 2 0 289.423 1.888 10 0 CDAERP Cc1ccccc1NC(=O)CN1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261845158 140398103 /nfs/dbraw/zinc/39/81/03/140398103.db2.gz WECUMWIXESVGJC-AWEZNQCLSA-N 2 0 275.396 1.993 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCc1ncc(C)cc1C ZINC000656200341 413098050 /nfs/dbraw/zinc/09/80/50/413098050.db2.gz LYPOGKRZHBQLRQ-AWEZNQCLSA-N 2 0 265.401 1.584 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC23CCCC3)CC1 ZINC000649656185 397889786 /nfs/dbraw/zinc/88/97/86/397889786.db2.gz CCJXSVZMGBHQIO-UHFFFAOYSA-N 2 0 293.455 1.994 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)C1CCC([NH3+])CC1)c1ccccc1 ZINC000040802824 397899006 /nfs/dbraw/zinc/89/90/06/397899006.db2.gz LQERNMSQALZWSK-GPANFISMSA-N 2 0 289.423 1.923 10 0 CDAERP CC1CC[NH+](CCNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000654374915 413198817 /nfs/dbraw/zinc/19/88/17/413198817.db2.gz WSOJATBQBAJBRE-GASCZTMLSA-N 2 0 296.459 1.358 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000658105766 413204201 /nfs/dbraw/zinc/20/42/01/413204201.db2.gz DGSNAQQRECTPDU-ZOBUZTSGSA-N 2 0 296.503 1.331 10 0 CDAERP [NH3+][C@H]1CC[C@H](C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000178707423 148077645 /nfs/dbraw/zinc/07/76/45/148077645.db2.gz IZRLOQHWSSQKOZ-STQMWFEESA-N 2 0 265.401 1.104 10 0 CDAERP CO[C@H](C)C[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000182140893 148243051 /nfs/dbraw/zinc/24/30/51/148243051.db2.gz MCOXQUFRLZEHHX-CQSZACIVSA-N 2 0 280.416 1.314 10 0 CDAERP C[C@H](F)CC[NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001664186710 1172821708 /nfs/dbraw/zinc/82/17/08/1172821708.db2.gz RKHDEQKDLPXWCY-STQMWFEESA-N 2 0 273.396 1.124 10 0 CDAERP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000262068206 149009012 /nfs/dbraw/zinc/00/90/12/149009012.db2.gz FTQWUWBUCKJVSI-GUYCJALGSA-N 2 0 299.418 1.989 10 0 CDAERP C[C@]1(CN2CCO[C@@H](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000262078238 149011115 /nfs/dbraw/zinc/01/11/15/149011115.db2.gz SUAAGFGWPIVWGZ-IRXDYDNUSA-N 2 0 274.408 1.930 10 0 CDAERP C[C@@]1(C[N@@H+]2CCCC3(CCOCC3)C2)CC[NH2+]C1 ZINC000262100198 149017731 /nfs/dbraw/zinc/01/77/31/149017731.db2.gz VNPQKENRWNXCME-CQSZACIVSA-N 2 0 252.402 1.879 10 0 CDAERP [NH3+]Cc1ccc(-c2noc(C3CC[NH2+]CC3)n2)cc1 ZINC000262136186 149025558 /nfs/dbraw/zinc/02/55/58/149025558.db2.gz YROLTOSLTKFDHH-UHFFFAOYSA-N 2 0 258.325 1.662 10 0 CDAERP C[C@H](C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)C1C[NH2+]C1 ZINC000262397299 149057229 /nfs/dbraw/zinc/05/72/29/149057229.db2.gz OZNHRKCXHDVHKV-SWLSCSKDSA-N 2 0 279.428 1.223 10 0 CDAERP C[C@@H]1CN(C(=O)NC2CCC(C[NH+](C)C)CC2)CC[NH2+]1 ZINC000334922262 150083587 /nfs/dbraw/zinc/08/35/87/150083587.db2.gz CYZSYMMGMIAEHG-IYXRBSQSSA-N 2 0 282.432 1.110 10 0 CDAERP CCc1nc2ccccc2n1CC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000335128190 150315923 /nfs/dbraw/zinc/31/59/23/150315923.db2.gz ANCVOCLBISKTIN-RYUDHWBXSA-N 2 0 286.379 1.547 10 0 CDAERP CC[NH+]1CCN(Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000346144320 153069836 /nfs/dbraw/zinc/06/98/36/153069836.db2.gz FGNVALDCEZGDOS-UHFFFAOYSA-N 2 0 285.395 1.713 10 0 CDAERP CC(C)C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)C(=O)NCC[NH+](C)C ZINC000346841938 153322380 /nfs/dbraw/zinc/32/23/80/153322380.db2.gz WNRUTSHCWUDJFD-KKUMJFAQSA-N 2 0 299.459 1.236 10 0 CDAERP C[NH+](C)[C@H]1CCCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000431781880 289369095 /nfs/dbraw/zinc/36/90/95/289369095.db2.gz DRKXVVCXYCYABI-GJZGRUSLSA-N 2 0 281.444 1.804 10 0 CDAERP CC(C)([NH3+])c1cc(C(=O)NCCC[NH+]2CCCC2)on1 ZINC000662669769 413286476 /nfs/dbraw/zinc/28/64/76/413286476.db2.gz CFJYGIDWMRMMMS-UHFFFAOYSA-N 2 0 280.372 1.084 10 0 CDAERP COc1ccccc1/C=C\C[NH2+]CCOCC[NH+](C)C ZINC000349219645 154070569 /nfs/dbraw/zinc/07/05/69/154070569.db2.gz WLLGOYNIAGDVLX-VURMDHGXSA-N 2 0 278.396 1.876 10 0 CDAERP Cc1cc(CC[NH2+]C2CC[NH+](C(C)C)CC2)on1 ZINC000353979713 156201115 /nfs/dbraw/zinc/20/11/15/156201115.db2.gz SBWHQFPCKHSJMT-UHFFFAOYSA-N 2 0 251.374 1.988 10 0 CDAERP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(C)CC1C[NH+](C)C1 ZINC000660659099 413348683 /nfs/dbraw/zinc/34/86/83/413348683.db2.gz MVSHJXWLBCQKRI-HNNXBMFYSA-N 2 0 296.459 1.454 10 0 CDAERP CC[C@H](C(=O)N(C)[C@H]1C[NH+]2CCC1CC2)[NH+](CC)CC ZINC000359784010 158375230 /nfs/dbraw/zinc/37/52/30/158375230.db2.gz CRHPKWMTPDSJPI-CABCVRRESA-N 2 0 281.444 1.659 10 0 CDAERP C[C@@H](CC[NH3+])NC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000417196734 286808127 /nfs/dbraw/zinc/80/81/27/286808127.db2.gz PLWMNDMMLDXSAQ-DZGCQCFKSA-N 2 0 292.427 1.196 10 0 CDAERP CCOCC[C@@H](O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000373875242 160234467 /nfs/dbraw/zinc/23/44/67/160234467.db2.gz ZQMZCJUKFFYLPC-MRXNPFEDSA-N 2 0 284.444 1.582 10 0 CDAERP [NH3+]C1(CC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000662741872 413414133 /nfs/dbraw/zinc/41/41/33/413414133.db2.gz QEWOETBOWWENKY-CYBMUJFWSA-N 2 0 265.401 1.345 10 0 CDAERP [NH3+]C[C@@H](c1ccccc1F)N1CC[NH+](CC2CC2)CC1 ZINC000020179506 171044582 /nfs/dbraw/zinc/04/45/82/171044582.db2.gz ITWSFARAMZBQMK-INIZCTEOSA-N 2 0 277.387 1.853 10 0 CDAERP [NH3+]C[C@]1(N2CCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000020596055 171264899 /nfs/dbraw/zinc/26/48/99/171264899.db2.gz JKWVJIUXLIYEPO-MRXNPFEDSA-N 2 0 259.397 1.686 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000653214490 412141201 /nfs/dbraw/zinc/14/12/01/412141201.db2.gz XLMJOMMFBSUTHV-INIZCTEOSA-N 2 0 275.396 1.412 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000653175793 412118539 /nfs/dbraw/zinc/11/85/39/412118539.db2.gz AQUBIRSGRTXJKW-HNNXBMFYSA-N 2 0 277.412 1.781 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000662784839 413496218 /nfs/dbraw/zinc/49/62/18/413496218.db2.gz DTXQNHUNTSZGSZ-UHFFFAOYSA-N 2 0 279.428 1.650 10 0 CDAERP [NH3+]C1(CC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000662805697 413524230 /nfs/dbraw/zinc/52/42/30/413524230.db2.gz MHUNFWIDGPIMIU-TZMCWYRMSA-N 2 0 277.412 1.343 10 0 CDAERP CCN(C(=O)N[C@@H](C)C1=CC[NH+](C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000664624286 413550232 /nfs/dbraw/zinc/55/02/32/413550232.db2.gz APHILNJBVJBSBO-DZGCQCFKSA-N 2 0 294.443 1.372 10 0 CDAERP CCO[C@@H]1C[N@H+](CCc2ccc3c(c2)CCO3)C[C@H]1C[NH3+] ZINC000405426756 413583509 /nfs/dbraw/zinc/58/35/09/413583509.db2.gz GQCCPJHVYDKPKN-NVXWUHKLSA-N 2 0 290.407 1.460 10 0 CDAERP C[C@@H]1CCCN(C(=O)CC2([NH3+])CC2)[C@@H]1CCC[NH3+] ZINC000662893199 413669792 /nfs/dbraw/zinc/66/97/92/413669792.db2.gz UNLXFQRQJKCRFQ-VXGBXAGGSA-N 2 0 253.390 1.234 10 0 CDAERP C[C@H](CCNC(=O)c1ccccc1CC[NH3+])[NH+](C)C ZINC000662859195 413623145 /nfs/dbraw/zinc/62/31/45/413623145.db2.gz KYROBACZWNONQA-GFCCVEGCSA-N 2 0 263.385 1.258 10 0 CDAERP C[NH+](C)C1(CNC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CCC1 ZINC000661048020 413744881 /nfs/dbraw/zinc/74/48/81/413744881.db2.gz CBQBIQCJAAPXBA-CYBMUJFWSA-N 2 0 296.459 1.643 10 0 CDAERP CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C(C)(C)[NH3+])no2)C1 ZINC000662911826 413696638 /nfs/dbraw/zinc/69/66/38/413696638.db2.gz WAKAHLWXNWAUDT-SNVBAGLBSA-N 2 0 280.372 1.083 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NCC1([NH3+])CCCC1 ZINC000659434003 413814601 /nfs/dbraw/zinc/81/46/01/413814601.db2.gz IBHZTSLPQJKVBJ-GFCCVEGCSA-N 2 0 270.421 1.287 10 0 CDAERP C[NH+](C)CC[C@@H](NC(=O)N1CC2CC1(C[NH3+])C2)C(C)(C)C ZINC000659456678 413842776 /nfs/dbraw/zinc/84/27/76/413842776.db2.gz QLAPUEJXVHKGJK-MFOWVQHXSA-N 2 0 296.459 1.486 10 0 CDAERP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000659536465 413938228 /nfs/dbraw/zinc/93/82/28/413938228.db2.gz IAHSUFXZCPKBPE-ILXRZTDVSA-N 2 0 296.459 1.404 10 0 CDAERP CC(=O)NCc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000665234316 413958032 /nfs/dbraw/zinc/95/80/32/413958032.db2.gz AUGQQBCWRJSJSY-JKSUJKDBSA-N 2 0 275.396 1.682 10 0 CDAERP CS(=O)(=O)CC1(CC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000665235202 413962758 /nfs/dbraw/zinc/96/27/58/413962758.db2.gz RNEUSCIDXALDKS-QWHCGFSZSA-N 2 0 288.457 1.308 10 0 CDAERP COC[C@H](CC[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+])OC ZINC000665234910 413962949 /nfs/dbraw/zinc/96/29/49/413962949.db2.gz MGMFBTZEUBOMBK-CWRNSKLLSA-N 2 0 280.412 1.586 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1cccnc1N1CCCC1 ZINC000665236558 413969688 /nfs/dbraw/zinc/96/96/88/413969688.db2.gz PHRXTYGRZFRKKV-OAHLLOKOSA-N 2 0 292.427 1.525 10 0 CDAERP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000665280410 414019587 /nfs/dbraw/zinc/01/95/87/414019587.db2.gz AHIYCSFVIVWEFE-BXUZGUMPSA-N 2 0 299.440 1.358 10 0 CDAERP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000665280655 414019735 /nfs/dbraw/zinc/01/97/35/414019735.db2.gz IJIYELGCHNOEEQ-FRRDWIJNSA-N 2 0 276.446 1.305 10 0 CDAERP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1c(C2CCC2)cnn1C ZINC000665273636 414003808 /nfs/dbraw/zinc/00/38/08/414003808.db2.gz AKXMHKXICBWJSA-GHMZBOCLSA-N 2 0 250.390 1.903 10 0 CDAERP C[NH+]1CCN(CCC[NH2+]Cc2ccc3c(c2)OCO3)CC1 ZINC000037302194 173108435 /nfs/dbraw/zinc/10/84/35/173108435.db2.gz JRHJHTSAVXPBHJ-UHFFFAOYSA-N 2 0 291.395 1.142 10 0 CDAERP C[NH+]1CCN(CC[NH2+]Cc2ccccc2Cl)CC1 ZINC000037496724 173235893 /nfs/dbraw/zinc/23/58/93/173235893.db2.gz ZQVJFNYJVRPXTL-UHFFFAOYSA-N 2 0 267.804 1.677 10 0 CDAERP C[NH+](C)C[C@H]1CCN(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000665359987 414108040 /nfs/dbraw/zinc/10/80/40/414108040.db2.gz NZQAZKCUMKDJJP-ZIAGYGMSSA-N 2 0 296.459 1.452 10 0 CDAERP Cn1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c(-c2ccncc2)n1 ZINC000655826564 414237516 /nfs/dbraw/zinc/23/75/16/414237516.db2.gz IRVPBNOCPBWBPB-AKAXFMLLSA-N 2 0 299.422 1.912 10 0 CDAERP Cn1nnc2c1CC[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@H]3CCC[C@H]31)C2 ZINC000655826933 414237832 /nfs/dbraw/zinc/23/78/32/414237832.db2.gz LQHPRQNJVNMJCX-OSFYFWSMSA-N 2 0 289.427 1.135 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H](c2ncc[nH]2)c2cccnc2)C1 ZINC000655803632 414193787 /nfs/dbraw/zinc/19/37/87/414193787.db2.gz AIZCXIHJAVLWKP-VHDGCEQUSA-N 2 0 285.395 1.824 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)C1 ZINC000655805190 414198484 /nfs/dbraw/zinc/19/84/84/414198484.db2.gz KJXOCASKLYSLLD-XJFOESAGSA-N 2 0 288.457 1.272 10 0 CDAERP c1cc(C[NH2+]CC2=CCCOC2)n(-c2cc[nH+]cc2)n1 ZINC000657467611 414360387 /nfs/dbraw/zinc/36/03/87/414360387.db2.gz RHQCKPFYBCITFI-UHFFFAOYSA-N 2 0 270.336 1.704 10 0 CDAERP C[C@@]1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCC(=O)N1 ZINC000657488620 414387725 /nfs/dbraw/zinc/38/77/25/414387725.db2.gz UBYIQLKIMWDZSX-HNNXBMFYSA-N 2 0 285.351 1.026 10 0 CDAERP OC[C@@H](NCc1cnc2n1CCC2)c1ccsc1 ZINC000657439140 414328842 /nfs/dbraw/zinc/32/88/42/414328842.db2.gz UYXKJOUKPFIAQI-GFCCVEGCSA-N 2 0 263.366 1.714 10 0 CDAERP C[N@H+](CCOc1ccccc1F)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249726 414585110 /nfs/dbraw/zinc/58/51/10/414585110.db2.gz YTWBZJNWMJEULC-CYBMUJFWSA-N 2 0 294.370 1.657 10 0 CDAERP Cc1ccccc1OCC[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249503 414585558 /nfs/dbraw/zinc/58/55/58/414585558.db2.gz VUNMGGDOAAVCJV-HNNXBMFYSA-N 2 0 290.407 1.827 10 0 CDAERP NC(=O)C[C@H]1CCCC[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662253323 414587202 /nfs/dbraw/zinc/58/72/02/414587202.db2.gz IXCJJMIWCCDXOD-OAHLLOKOSA-N 2 0 287.407 1.562 10 0 CDAERP Cc1ncc(C[N@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)s1 ZINC000662261088 414596962 /nfs/dbraw/zinc/59/69/62/414596962.db2.gz STTXUUYBTJWVCN-NSHDSACASA-N 2 0 267.398 1.404 10 0 CDAERP C[N@@H+]1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C2(CCCCC2)C1 ZINC000662262979 414600001 /nfs/dbraw/zinc/60/00/01/414600001.db2.gz JMADBGBYEKIGJF-HNNXBMFYSA-N 2 0 293.455 1.458 10 0 CDAERP Cc1csc(C(C)(C)[NH2+]C[C@H]2CCC3(C[NH2+]C3)O2)n1 ZINC000662265129 414600086 /nfs/dbraw/zinc/60/00/86/414600086.db2.gz UZIJNRCAAMJMLK-LLVKDONJSA-N 2 0 281.425 1.797 10 0 CDAERP C(CN1CCOCC1)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294731 414620455 /nfs/dbraw/zinc/62/04/55/414620455.db2.gz SGPGIYNAXUEUBE-KRWDZBQOSA-N 2 0 295.471 1.420 10 0 CDAERP C[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)C[C@H]1COCCO1 ZINC000662306514 414629280 /nfs/dbraw/zinc/62/92/80/414629280.db2.gz QFWNOKPTFJUROJ-INIZCTEOSA-N 2 0 276.380 1.180 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)[C@H]([NH3+])[C@H](C)CC)CC1 ZINC000038100759 174115726 /nfs/dbraw/zinc/11/57/26/174115726.db2.gz RFFPQOXHIMNWTO-TZMCWYRMSA-N 2 0 269.433 1.693 10 0 CDAERP CC[NH+](CC)CCOc1ccc(C(N)=[NH2+])cc1F ZINC000040240006 174212870 /nfs/dbraw/zinc/21/28/70/174212870.db2.gz WMVHDACODDKVLD-UHFFFAOYSA-N 2 0 253.321 1.830 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)CC[NH2+]C(C)(C)C)C1 ZINC000040503583 174300401 /nfs/dbraw/zinc/30/04/01/174300401.db2.gz CYLFFRXGDVWMJC-GFCCVEGCSA-N 2 0 255.406 1.365 10 0 CDAERP O=C([C@H]1CCC[N@@H+]1C1CCCCC1)N1CC[NH2+]CC1 ZINC000040508119 174303188 /nfs/dbraw/zinc/30/31/88/174303188.db2.gz XJGVHPCXHXTJOH-CQSZACIVSA-N 2 0 265.401 1.215 10 0 CDAERP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508151 174303397 /nfs/dbraw/zinc/30/33/97/174303397.db2.gz AJDZGBJCPKUFQI-GOEBONIOSA-N 2 0 287.407 1.644 10 0 CDAERP C[C@@H](c1ccco1)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508149 174303589 /nfs/dbraw/zinc/30/35/89/174303589.db2.gz HOMULDFQJGPBAA-QWHCGFSZSA-N 2 0 277.368 1.237 10 0 CDAERP CO[C@@H]1C[NH2+][C@H](C(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000040632998 174359621 /nfs/dbraw/zinc/35/96/21/174359621.db2.gz RECGLPPJBNKSFG-KBPBESRZSA-N 2 0 277.368 1.064 10 0 CDAERP CCC(CC)[C@@H](CNC(=O)CC[NH2+]C(C)C)[NH+](C)C ZINC000040831510 174413169 /nfs/dbraw/zinc/41/31/69/174413169.db2.gz PXJIPATZQSWXAV-CQSZACIVSA-N 2 0 271.449 1.857 10 0 CDAERP CC[C@H]([NH3+])[C@@H](c1ccncc1)N1CC[NH+](C(C)C)CC1 ZINC000043353681 175020919 /nfs/dbraw/zinc/02/09/19/175020919.db2.gz NLILWYBKGMIPKB-JKSUJKDBSA-N 2 0 276.428 1.886 10 0 CDAERP CCC[C@H](C)NC(=O)[C@H](C)[N@H+](CCC[NH3+])CC(C)C ZINC000043417384 175038066 /nfs/dbraw/zinc/03/80/66/175038066.db2.gz QSUOIRSSBWEMTD-KBPBESRZSA-N 2 0 271.449 1.987 10 0 CDAERP CCC[N@H+](CCCC(=O)N(C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000043454037 175049823 /nfs/dbraw/zinc/04/98/23/175049823.db2.gz FJBNAQLCPHPVDK-YIONKMFJSA-N 2 0 281.444 1.850 10 0 CDAERP CC[C@H](CC[NH3+])[NH+]1CCN(CCOc2ccccc2)CC1 ZINC000043458047 175050392 /nfs/dbraw/zinc/05/03/92/175050392.db2.gz KSFYXPFIKHEMCD-MRXNPFEDSA-N 2 0 291.439 1.810 10 0 CDAERP C[C@@H](C(=O)N(C)C1CC[NH2+]CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000043559863 175065421 /nfs/dbraw/zinc/06/54/21/175065421.db2.gz IREZVXPHICJBKP-XQQFMLRXSA-N 2 0 267.417 1.458 10 0 CDAERP CC(C)[C@@H](CNC(=O)CC[C@@H]1CCC[NH2+]C1)[NH+](C)C ZINC000043591061 175073859 /nfs/dbraw/zinc/07/38/59/175073859.db2.gz KDBFFYKCOVMGMZ-UONOGXRCSA-N 2 0 269.433 1.469 10 0 CDAERP CCC[NH2+][C@@H]1CCCCC[C@@H]1N1CC[NH+](C)CC1 ZINC000043810946 175110085 /nfs/dbraw/zinc/11/00/85/175110085.db2.gz QLRCQJMJECRYNY-CABCVRRESA-N 2 0 253.434 1.935 10 0 CDAERP CC[NH2+][C@H]1c2ccccc2CC[C@H]1N1CC[NH+](C)CC1 ZINC000043810881 175110202 /nfs/dbraw/zinc/11/02/02/175110202.db2.gz XTVCACHLYMYXQN-SJORKVTESA-N 2 0 273.424 1.899 10 0 CDAERP CCC[NH2+][C@@H](C)[C@@H](C)N1CC[NH+](CC2CC2)CC1 ZINC000043968027 175128970 /nfs/dbraw/zinc/12/89/70/175128970.db2.gz CTDRINIBKBKZSO-UONOGXRCSA-N 2 0 253.434 1.791 10 0 CDAERP CCC[NH2+][C@H]1CCOC[C@H]1N(CC[NH+](C)C)CC(C)C ZINC000043982416 175134394 /nfs/dbraw/zinc/13/43/94/175134394.db2.gz GXQOERVZJAHKLE-JKSUJKDBSA-N 2 0 285.476 1.663 10 0 CDAERP C[N@@H+]1CCC[C@@H](C[NH2+]CCOCC(F)(F)F)C1 ZINC000044536116 175198464 /nfs/dbraw/zinc/19/84/64/175198464.db2.gz SQOCDQNCOOZRCO-JTQLQIEISA-N 2 0 254.296 1.497 10 0 CDAERP C[C@@H]1CCC[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2C)[NH2+]1 ZINC000044564927 175207790 /nfs/dbraw/zinc/20/77/90/175207790.db2.gz BOXXAJZVTODOMR-FRRDWIJNSA-N 2 0 253.390 1.118 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CNC(=O)C1(C[NH3+])CCCCCC1 ZINC000044764412 175248696 /nfs/dbraw/zinc/24/86/96/175248696.db2.gz INWCEPQEYJPJHQ-AWEZNQCLSA-N 2 0 281.444 1.886 10 0 CDAERP C[N@H+](C[C@H](O)COc1ccc(C[NH3+])cc1)CC(C)(C)C ZINC000045068169 175300431 /nfs/dbraw/zinc/30/04/31/175300431.db2.gz XFLGWXQPCCFBRG-AWEZNQCLSA-N 2 0 280.412 1.863 10 0 CDAERP CCOC(=O)C[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000045134756 175312941 /nfs/dbraw/zinc/31/29/41/175312941.db2.gz OEYIRVWNDPAAHZ-CHWSQXEVSA-N 2 0 256.390 1.648 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000045138694 175314711 /nfs/dbraw/zinc/31/47/11/175314711.db2.gz QSUTXEWUTPFJNS-CQSZACIVSA-N 2 0 290.411 1.997 10 0 CDAERP CC[NH+](CC)CCCC[C@@](C)([NH2+]C(C)C)C(N)=O ZINC000045375872 175366208 /nfs/dbraw/zinc/36/62/08/175366208.db2.gz HZILUVDVOLTLRD-CQSZACIVSA-N 2 0 257.422 1.741 10 0 CDAERP CC[N@H+](CCCC[C@@](C)([NH2+]C1CC1)C(N)=O)C(C)C ZINC000045383745 175371235 /nfs/dbraw/zinc/37/12/35/175371235.db2.gz SZSWBZXCYRFJEM-OAHLLOKOSA-N 2 0 269.433 1.883 10 0 CDAERP C[NH2+][C@@](C)(CCCC[N@H+](CCOC)CC(C)C)C(N)=O ZINC000045421535 175379480 /nfs/dbraw/zinc/37/94/80/175379480.db2.gz BMMIACSCYIMNHI-HNNXBMFYSA-N 2 0 287.448 1.225 10 0 CDAERP CC(C)[NH2+][C@H]1CCCN(C[C@H]2CCC[N@H+](C)C2)C1=O ZINC000071032350 176023383 /nfs/dbraw/zinc/02/33/83/176023383.db2.gz HXRMVOJGLJKRFN-KBPBESRZSA-N 2 0 267.417 1.317 10 0 CDAERP CCC[NH2+][C@H]1CCCN(CC[N@H+](C)C(C)C)C1=O ZINC000071042539 176028754 /nfs/dbraw/zinc/02/87/54/176028754.db2.gz GPANQQQFHIJDPM-ZDUSSCGKSA-N 2 0 255.406 1.317 10 0 CDAERP CC[C@H]1CCC[C@@](C[NH3+])(N2CCC[N@H+](C)CC2)C1 ZINC000071123092 176034829 /nfs/dbraw/zinc/03/48/29/176034829.db2.gz PZMRLOWPZJHHMQ-LSDHHAIUSA-N 2 0 253.434 1.922 10 0 CDAERP C[NH2+]C[C@H]1CC[N@H+](CCC(=O)NC2CCCCC2)C1 ZINC000071146614 176042905 /nfs/dbraw/zinc/04/29/05/176042905.db2.gz RYPIEEDKZZQAGV-CYBMUJFWSA-N 2 0 267.417 1.367 10 0 CDAERP CC[C@@H]1CCCC[C@@]1(C[NH3+])N1CCC[N@H+](C)CC1 ZINC000071161554 176046745 /nfs/dbraw/zinc/04/67/45/176046745.db2.gz BOBOSKNAEBNLAU-CABCVRRESA-N 2 0 253.434 1.922 10 0 CDAERP C[NH2+]Cc1c(C)cc(C)nc1N(C)C[C@H]1CC[N@H+](C)C1 ZINC000071191641 176069726 /nfs/dbraw/zinc/06/97/26/176069726.db2.gz KWJLTJKNPMFPHJ-AWEZNQCLSA-N 2 0 276.428 1.806 10 0 CDAERP CC(C)C[NH2+]CC[C@@H](C)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192030 176070954 /nfs/dbraw/zinc/07/09/54/176070954.db2.gz JYJJEFNQGVACJV-HUUCEWRRSA-N 2 0 255.450 1.894 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN1CCC[C@H]([NH2+]C(C)C)C1 ZINC000071197061 176076921 /nfs/dbraw/zinc/07/69/21/176076921.db2.gz GCEUIBHXKDVCAL-LSDHHAIUSA-N 2 0 253.434 1.933 10 0 CDAERP CC(C)[NH2+][C@@H]1CCCN(C[C@@H]2CCCC[N@@H+]2C)C1 ZINC000071200677 176077570 /nfs/dbraw/zinc/07/75/70/176077570.db2.gz KTYLHGDKCZKZDU-CABCVRRESA-N 2 0 253.434 1.933 10 0 CDAERP CC[NH+]1CCC(CN2CC[C@@H]([NH2+]C3CC3)C2)CC1 ZINC000071200989 176077860 /nfs/dbraw/zinc/07/78/60/176077860.db2.gz ZWJQCEVXJONKKO-OAHLLOKOSA-N 2 0 251.418 1.545 10 0 CDAERP CCCN(CC[C@@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH2+]C1 ZINC000071330696 176124227 /nfs/dbraw/zinc/12/42/27/176124227.db2.gz SBAZFUHBMQLOJF-LSDHHAIUSA-N 2 0 253.434 1.935 10 0 CDAERP C[C@@H]1CC[C@@H](C(=O)NCC[N@H+](C)C2CCCC2)C[NH2+]1 ZINC000071379400 176143768 /nfs/dbraw/zinc/14/37/68/176143768.db2.gz IQXYRHAYKOBPGI-CHWSQXEVSA-N 2 0 267.417 1.365 10 0 CDAERP CCC[NH2+][C@H]1CCC[C@H]1CN1CC[NH+](CC(C)(C)O)CC1 ZINC000071381825 176145537 /nfs/dbraw/zinc/14/55/37/176145537.db2.gz VBGBZKIXBQMFTL-HOTGVXAUSA-N 2 0 297.487 1.543 10 0 CDAERP CC[NH2+][C@@H]1CCC[C@H]1CN1CC[NH+](CC(C)(C)O)CC1 ZINC000071381840 176145600 /nfs/dbraw/zinc/14/56/00/176145600.db2.gz LCTSYZAQWSFLGD-LSDHHAIUSA-N 2 0 283.460 1.153 10 0 CDAERP CCC[NH2+][C@H]1CCC[C@@H]1CN1CC[NH+](CC(C)(C)O)CC1 ZINC000071381823 176145642 /nfs/dbraw/zinc/14/56/42/176145642.db2.gz VBGBZKIXBQMFTL-CVEARBPZSA-N 2 0 297.487 1.543 10 0 CDAERP Cc1nc(C[NH2+]CC2CC[NH+](C[C@@H](C)O)CC2)oc1C ZINC000071871124 176283597 /nfs/dbraw/zinc/28/35/97/176283597.db2.gz DUTFXJDEDLKMRN-LLVKDONJSA-N 2 0 281.400 1.474 10 0 CDAERP CC[NH+](CC)CCNC(=O)CC[n+]1ccc(C)cc1 ZINC000075216750 176673560 /nfs/dbraw/zinc/67/35/60/176673560.db2.gz SMVZMEWYJGILAS-UHFFFAOYSA-O 2 0 264.393 1.131 10 0 CDAERP C(C[NH+]1CCCCC1)N1CCC[N@@H+](C2CC2)CC1 ZINC000077173335 177230482 /nfs/dbraw/zinc/23/04/82/177230482.db2.gz QKHCHPSQXOOTNS-UHFFFAOYSA-N 2 0 251.418 1.642 10 0 CDAERP C[C@@H]1CCC[N@H+](CCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC000347528452 287349476 /nfs/dbraw/zinc/34/94/76/287349476.db2.gz PZBWLGGTWUOWJS-CQSZACIVSA-N 2 0 281.444 1.566 10 0 CDAERP CCCC[NH2+]C[C@@H](C)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001666943694 1173210556 /nfs/dbraw/zinc/21/05/56/1173210556.db2.gz SNIJMTDEKISUNX-CQSZACIVSA-N 2 0 281.444 1.851 10 0 CDAERP CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001666977714 1173214779 /nfs/dbraw/zinc/21/47/79/1173214779.db2.gz WGCGBYMAZIBWBH-AVGNSLFASA-N 2 0 255.406 1.173 10 0 CDAERP Cn1cncc1CCCN(CC[NH3+])CCc1ccccc1 ZINC000662272802 423835316 /nfs/dbraw/zinc/83/53/16/423835316.db2.gz IQWXJVZJSKYVLV-UHFFFAOYSA-N 2 0 286.423 1.856 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652172404 423997527 /nfs/dbraw/zinc/99/75/27/423997527.db2.gz YLFADIQEIGGGMO-UHFFFAOYSA-N 2 0 296.459 1.535 10 0 CDAERP C[NH2+]C[C@@H]1CCCN1C(=O)NCCC[N@H+](C)CC(C)C ZINC000652224839 424081935 /nfs/dbraw/zinc/08/19/35/424081935.db2.gz JCLZZLYXDKFRCD-AWEZNQCLSA-N 2 0 284.448 1.358 10 0 CDAERP COC[C@H]1CCC[N@H+](C[C@H](O)C[NH+](C)C(C)C)CC1 ZINC000660758618 424095432 /nfs/dbraw/zinc/09/54/32/424095432.db2.gz UWBQXPQJQWHDQK-LSDHHAIUSA-N 2 0 272.433 1.436 10 0 CDAERP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCCC1(C[NH3+])CC1 ZINC000652240375 424121009 /nfs/dbraw/zinc/12/10/09/424121009.db2.gz YSXFTMGCXIBRHM-CHWSQXEVSA-N 2 0 282.432 1.097 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655611010 424180669 /nfs/dbraw/zinc/18/06/69/424180669.db2.gz QCNKDIFMZJEREC-UWVGGRQHSA-N 2 0 281.322 1.257 10 0 CDAERP C[NH+](C)Cc1ccc(C(=O)N[C@H](C[NH3+])C(F)(F)F)cc1 ZINC000655611063 424181166 /nfs/dbraw/zinc/18/11/66/424181166.db2.gz TVPMKDGZRDKGRX-LLVKDONJSA-N 2 0 289.301 1.368 10 0 CDAERP C[NH+](C)Cc1ccc(C(=O)N[C@@H](C[NH3+])C(F)(F)F)cc1 ZINC000655611064 424182212 /nfs/dbraw/zinc/18/22/12/424182212.db2.gz TVPMKDGZRDKGRX-NSHDSACASA-N 2 0 289.301 1.368 10 0 CDAERP C[C@H](CCNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1)[NH+](C)C ZINC000662633659 424262967 /nfs/dbraw/zinc/26/29/67/424262967.db2.gz NBCHYCMAHGQVHF-RISCZKNCSA-N 2 0 281.375 1.324 10 0 CDAERP C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652341738 424266377 /nfs/dbraw/zinc/26/63/77/424266377.db2.gz MBJMYIJZLYOLIH-MLGOLLRUSA-N 2 0 260.381 1.678 10 0 CDAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)CC(C)(C)[NH3+] ZINC000309724439 424348344 /nfs/dbraw/zinc/34/83/44/424348344.db2.gz NBELEUBSDHDOIU-ZDUSSCGKSA-N 2 0 277.412 1.751 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662713808 424364495 /nfs/dbraw/zinc/36/44/95/424364495.db2.gz ZEDZXLYCHFPFIT-GFCCVEGCSA-N 2 0 267.417 1.495 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000659618581 424412947 /nfs/dbraw/zinc/41/29/47/424412947.db2.gz CZUKTEJEYIGTPS-RRFJBIMHSA-N 2 0 296.459 1.628 10 0 CDAERP CC(C)([NH3+])c1cc(C(=O)N2CCC[C@H](CC[NH3+])C2)on1 ZINC000662775061 424438995 /nfs/dbraw/zinc/43/89/95/424438995.db2.gz UAZQGAJCKWJSNF-SNVBAGLBSA-N 2 0 280.372 1.069 10 0 CDAERP CC(C)[C@H]([NH3+])CCN[C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000665283540 424494289 /nfs/dbraw/zinc/49/42/89/424494289.db2.gz PMUILFORQWFZFM-NUEKZKHPSA-N 2 0 263.429 1.908 10 0 CDAERP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)CC[NH2+]C2CC2)C1 ZINC000655485924 424499284 /nfs/dbraw/zinc/49/92/84/424499284.db2.gz LISZVHKCGMXONX-YUELXQCFSA-N 2 0 295.427 1.016 10 0 CDAERP CC(C)[NH2+]CCCNC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000514850133 270412647 /nfs/dbraw/zinc/41/26/47/270412647.db2.gz FXFAFZLYCWICCX-GJZGRUSLSA-N 2 0 298.475 1.937 10 0 CDAERP C[NH+](C)CCC1CC[NH+](C[C@H](O)CC2(O)CCC2)CC1 ZINC000528352945 270801062 /nfs/dbraw/zinc/80/10/62/270801062.db2.gz LPZUWQNTVJLBNQ-OAHLLOKOSA-N 2 0 284.444 1.316 10 0 CDAERP CC1(C)[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)[C@@H]2CCO[C@@H]21 ZINC000530179159 271133184 /nfs/dbraw/zinc/13/31/84/271133184.db2.gz QHIIIPYYGNAPBK-LOWDOPEQSA-N 2 0 250.386 1.674 10 0 CDAERP CCOC[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000246982535 280313697 /nfs/dbraw/zinc/31/36/97/280313697.db2.gz VXYVGMYHZARXJC-MGPQQGTHSA-N 2 0 258.406 1.046 10 0 CDAERP CC[C@H](C)[C@H]([NH3+])C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000037770603 287716449 /nfs/dbraw/zinc/71/64/49/287716449.db2.gz JFGRSKYAZCTPRZ-AAEUAGOBSA-N 2 0 269.433 1.739 10 0 CDAERP CC(C)[C@H]1CC[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000414707674 276027817 /nfs/dbraw/zinc/02/78/17/276027817.db2.gz MZUZHASNMCGQFT-KBPBESRZSA-N 2 0 267.417 1.162 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CCNC(=O)CC2)[C@@H](C)C1 ZINC000450555462 276224917 /nfs/dbraw/zinc/22/49/17/276224917.db2.gz AYSSWSQDDXFIEN-KKUMJFAQSA-N 2 0 281.444 1.565 10 0 CDAERP CCNC(=O)C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000151110833 276258247 /nfs/dbraw/zinc/25/82/47/276258247.db2.gz NBEMBHDSIVCQLZ-CYBMUJFWSA-N 2 0 276.384 1.260 10 0 CDAERP CC[N@H+](CCN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@@H]21)C1CC1 ZINC000367601761 276348957 /nfs/dbraw/zinc/34/89/57/276348957.db2.gz PFHYUPNXRJPCOF-BZUAXINKSA-N 2 0 265.445 1.933 10 0 CDAERP C[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]([NH3+])C2)[C@@H]1c1ccccc1 ZINC000333510742 277165811 /nfs/dbraw/zinc/16/58/11/277165811.db2.gz FJJNTLCPXJVXTL-ILXRZTDVSA-N 2 0 288.395 1.174 10 0 CDAERP C[N@@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH3+])C2)[C@@H]1c1ccccc1 ZINC000333510748 277166081 /nfs/dbraw/zinc/16/60/81/277166081.db2.gz FJJNTLCPXJVXTL-KKUMJFAQSA-N 2 0 288.395 1.174 10 0 CDAERP COCCN1CC[C@@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)C1 ZINC000459778616 277226244 /nfs/dbraw/zinc/22/62/44/277226244.db2.gz LDRFIDOQEPEKPL-HUUCEWRRSA-N 2 0 269.433 1.029 10 0 CDAERP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)C[C@@]1(C)C[NH3+] ZINC000417849522 287982035 /nfs/dbraw/zinc/98/20/35/287982035.db2.gz WSEKRLNCTAGPBT-USRAEIGSSA-N 2 0 279.428 1.350 10 0 CDAERP C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C[C@@]1(C)C[NH3+] ZINC000417849525 287980041 /nfs/dbraw/zinc/98/00/41/287980041.db2.gz WSEKRLNCTAGPBT-YMSVYLFOSA-N 2 0 279.428 1.350 10 0 CDAERP C[C@@H]1CN(C(=O)[C@@H]([NH3+])c2ccccc2)C[C@@]1(C)C[NH3+] ZINC000417831066 277839240 /nfs/dbraw/zinc/83/92/40/277839240.db2.gz HPFIVZMWGVVCMO-OSAQELSMSA-N 2 0 261.369 1.130 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000232800719 278220524 /nfs/dbraw/zinc/22/05/24/278220524.db2.gz WHPPIMACBGKVDE-CHWSQXEVSA-N 2 0 265.401 1.071 10 0 CDAERP CC1CC[NH+](CCCNC(=O)[C@@]2(C)CCCC[NH2+]2)CC1 ZINC000136196371 278540062 /nfs/dbraw/zinc/54/00/62/278540062.db2.gz YBHRKIULOPSANF-MRXNPFEDSA-N 2 0 281.444 1.757 10 0 CDAERP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc(C[NH3+])cc1 ZINC000248889154 288079121 /nfs/dbraw/zinc/07/91/21/288079121.db2.gz RODVLFNMNFPFPK-IUODEOHRSA-N 2 0 275.396 1.558 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000417826551 278840865 /nfs/dbraw/zinc/84/08/65/278840865.db2.gz MZHVDADMCNJBPT-YUELXQCFSA-N 2 0 289.423 1.827 10 0 CDAERP CC[NH+](CC)[C@H](C)CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339070187 279161048 /nfs/dbraw/zinc/16/10/48/279161048.db2.gz YXKQDXXLALQNRO-KFWWJZLASA-N 2 0 253.434 1.933 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H]2CCC[NH+]2C[C@H]1C ZINC000247224023 279310147 /nfs/dbraw/zinc/31/01/47/279310147.db2.gz WJYLVMVNRYHRLA-KFWWJZLASA-N 2 0 294.443 1.349 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000418195729 279381625 /nfs/dbraw/zinc/38/16/25/279381625.db2.gz GITSRDYCQIHXGI-AGIUHOORSA-N 2 0 270.421 1.012 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)CC2CC[NH2+]CC2)[C@@H](C)C1 ZINC000246731848 279395919 /nfs/dbraw/zinc/39/59/19/279395919.db2.gz YKCBMHYFZQVFTB-DZGCQCFKSA-N 2 0 281.444 1.565 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2ccccc2CC[NH3+])C1 ZINC000514868927 280854354 /nfs/dbraw/zinc/85/43/54/280854354.db2.gz CANMRJVNRUECLB-GJZGRUSLSA-N 2 0 289.423 1.790 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000524039809 281102626 /nfs/dbraw/zinc/10/26/26/281102626.db2.gz UBAVTOLYXDZNJX-LSDHHAIUSA-N 2 0 279.428 1.558 10 0 CDAERP CC1(C)NC(=O)CC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000338776611 281386130 /nfs/dbraw/zinc/38/61/30/281386130.db2.gz VFVZHDFHONFWKI-AGIUHOORSA-N 2 0 265.401 1.260 10 0 CDAERP C[NH+](C)CC(C)(C)NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000458747362 282060423 /nfs/dbraw/zinc/06/04/23/282060423.db2.gz RRSQMUXLRVMMCI-UHFFFAOYSA-N 2 0 296.459 1.643 10 0 CDAERP C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)COC(C)(C)C)C1 ZINC000246789736 289195629 /nfs/dbraw/zinc/19/56/29/289195629.db2.gz BKHXEGUSMFRXKN-QWHCGFSZSA-N 2 0 258.406 1.046 10 0 CDAERP C[NH+](C)C[C@H]1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000431822762 289211693 /nfs/dbraw/zinc/21/16/93/289211693.db2.gz OQUYWCSBTXRMDE-CABCVRRESA-N 2 0 281.444 1.661 10 0 CDAERP C[NH+](C)[C@@]1(CN[C@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CCSC1 ZINC000353524769 289342962 /nfs/dbraw/zinc/34/29/62/289342962.db2.gz WWLAXKTVWWHMEV-YHUYYLMFSA-N 2 0 297.512 1.886 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)CC1 ZINC000353316884 289888908 /nfs/dbraw/zinc/88/89/08/289888908.db2.gz VIHVFAOVVRRDIU-ARFHVFGLSA-N 2 0 296.455 1.628 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000557182891 290334018 /nfs/dbraw/zinc/33/40/18/290334018.db2.gz RNEQNNZDTRUXOQ-UMVBOHGHSA-N 2 0 294.443 1.158 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCCN1CCCCCC1=O ZINC000422754355 292804430 /nfs/dbraw/zinc/80/44/30/292804430.db2.gz JNDIBPPXNNSJFI-CQSZACIVSA-N 2 0 285.432 1.123 10 0 CDAERP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1cc2c(s1)CCC2 ZINC000564822163 293422456 /nfs/dbraw/zinc/42/24/56/293422456.db2.gz GROYETBCXDDGPF-LLVKDONJSA-N 2 0 293.436 1.319 10 0 CDAERP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000565001083 293486311 /nfs/dbraw/zinc/48/63/11/293486311.db2.gz LDQLYXYRBIHNEF-INMHGKMJSA-N 2 0 285.391 1.071 10 0 CDAERP Cc1cc(C)n(CCC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)n1 ZINC000570832366 294319153 /nfs/dbraw/zinc/31/91/53/294319153.db2.gz NRUGVNKEBRWVNM-LSDHHAIUSA-N 2 0 264.417 1.868 10 0 CDAERP C[NH2+]C1CCN(C(=O)c2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000571205209 294389248 /nfs/dbraw/zinc/38/92/48/294389248.db2.gz WFYVTEASMUAGDV-NSHDSACASA-N 2 0 261.369 1.530 10 0 CDAERP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCNC[C@H]1C(F)F ZINC000575047210 295091452 /nfs/dbraw/zinc/09/14/52/295091452.db2.gz IJHIOGUNKRTFJM-ZJUUUORDSA-N 2 0 277.359 1.076 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000089453869 295271976 /nfs/dbraw/zinc/27/19/76/295271976.db2.gz NTVRFMOFSKGPCJ-BXUZGUMPSA-N 2 0 265.401 1.104 10 0 CDAERP [NH3+][C@H]1CCC[C@H](C(=O)N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000055088899 295337005 /nfs/dbraw/zinc/33/70/05/295337005.db2.gz CWVAHKAZZKHNCD-GJZGRUSLSA-N 2 0 293.455 1.981 10 0 CDAERP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000334925027 297112657 /nfs/dbraw/zinc/11/26/57/297112657.db2.gz QWMKVHIVLYIQRF-ZUJMUWTESA-N 2 0 296.459 1.499 10 0 CDAERP C[C@H](C(=O)N1CC[N@H+](C)CC12CCCCC2)C1C[NH2+]C1 ZINC000262399662 298047742 /nfs/dbraw/zinc/04/77/42/298047742.db2.gz PJVYMKKLTOYBTB-ZDUSSCGKSA-N 2 0 279.428 1.319 10 0 CDAERP COCC[NH2+]C/C=C/CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001669075572 1173503155 /nfs/dbraw/zinc/50/31/55/1173503155.db2.gz UULKGVVWNJRMRE-LLYBFZRZSA-N 2 0 297.443 1.159 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)NCC(C)(C)[NH3+])cc1 ZINC000418413815 299003769 /nfs/dbraw/zinc/00/37/69/299003769.db2.gz JZKHSXPXAYGCQV-JTQLQIEISA-N 2 0 264.373 1.243 10 0 CDAERP C[C@H](C[NH2+]CCC(F)(F)F)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001669446280 1173551230 /nfs/dbraw/zinc/55/12/30/1173551230.db2.gz CSAAYRXKDNWLQM-MNOVXSKESA-N 2 0 295.349 1.375 10 0 CDAERP FC1(F)CC[NH2+]C[C@@H]1N[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423483476 303126505 /nfs/dbraw/zinc/12/65/05/303126505.db2.gz QAUCZASSUODUAQ-RQJABVFESA-N 2 0 287.398 1.884 10 0 CDAERP [NH3+]CCCNC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000418140957 303379243 /nfs/dbraw/zinc/37/92/43/303379243.db2.gz KHMYZGCPAFEYCH-CQSZACIVSA-N 2 0 282.432 1.432 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000368376032 303432009 /nfs/dbraw/zinc/43/20/09/303432009.db2.gz KPXVONADRZGNOO-CYBMUJFWSA-N 2 0 259.353 1.017 10 0 CDAERP [NH3+][C@@H]1CC[C@@H](C(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000336600667 303470545 /nfs/dbraw/zinc/47/05/45/303470545.db2.gz NUULGOPYEVCMEN-CHWSQXEVSA-N 2 0 265.401 1.106 10 0 CDAERP CCCCC[NH2+]C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001669740954 1173592301 /nfs/dbraw/zinc/59/23/01/1173592301.db2.gz HONJLMLPQDXRIW-ZDUSSCGKSA-N 2 0 255.406 1.367 10 0 CDAERP CC(C)CCC[NH2+]CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001670312853 1173671902 /nfs/dbraw/zinc/67/19/02/1173671902.db2.gz NTOFIVKCSWWMOA-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001671674849 1173701690 /nfs/dbraw/zinc/70/16/90/1173701690.db2.gz PXJHAVXJOBJABT-HIFRSBDPSA-N 2 0 269.433 1.565 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN[C@@H]1CCCC[NH2+]C1 ZINC000563519271 316322593 /nfs/dbraw/zinc/32/25/93/316322593.db2.gz FPGBSHPKPQPLST-OAHLLOKOSA-N 2 0 285.395 1.807 10 0 CDAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1[nH]ccc1C1CC1 ZINC000563602320 316339639 /nfs/dbraw/zinc/33/96/39/316339639.db2.gz DWMXSSIEXJCAIU-UHFFFAOYSA-N 2 0 292.427 1.458 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000575866131 317028376 /nfs/dbraw/zinc/02/83/76/317028376.db2.gz GWGIEHFSLDGREM-YMAMQOFZSA-N 2 0 293.455 1.613 10 0 CDAERP C[C@@H](C(=O)NC1CC([NH+]2CCCCC2)C1)[C@H](C)[NH3+] ZINC000578235539 317498489 /nfs/dbraw/zinc/49/84/89/317498489.db2.gz KBGXDGQKTWGAKD-IALDZJHCSA-N 2 0 253.390 1.103 10 0 CDAERP CCCC[NH2+]CC[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001672859095 1173805345 /nfs/dbraw/zinc/80/53/45/1173805345.db2.gz PKFMUCBWDUJGGR-HNNXBMFYSA-N 2 0 295.471 1.957 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C[C@H](C)COC ZINC000580128982 324375020 /nfs/dbraw/zinc/37/50/20/324375020.db2.gz FZJPXPYLUFIERU-JKSUJKDBSA-N 2 0 285.476 1.617 10 0 CDAERP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000583321516 325151767 /nfs/dbraw/zinc/15/17/67/325151767.db2.gz OAHXSSSGBDGVGC-WQVCFCJDSA-N 2 0 287.407 1.778 10 0 CDAERP [NH3+][C@H]1CCC[C@H]([NH2+]CCC2CCS(=O)(=O)CC2)C1 ZINC000584064383 326915746 /nfs/dbraw/zinc/91/57/46/326915746.db2.gz ZLORUYCVPIIXSZ-STQMWFEESA-N 2 0 274.430 1.061 10 0 CDAERP c1cc(N2CCC([NH2+]CC3=CCCOC3)CC2)cc[nH+]1 ZINC000379737917 1159720018 /nfs/dbraw/zinc/72/00/18/1159720018.db2.gz TTXHOEWMUKVPQG-UHFFFAOYSA-N 2 0 273.380 1.987 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H]2C[NH2+]CCC2CC2)C1 ZINC001270292874 1160100881 /nfs/dbraw/zinc/10/08/81/1160100881.db2.gz BERSYIPUPWHOFR-JKSUJKDBSA-N 2 0 293.455 1.709 10 0 CDAERP CCC[N@H+](C)CCN(C(=O)[C@@H]1CCC[NH+]1C)C(C)C ZINC001700973579 1177217785 /nfs/dbraw/zinc/21/77/85/1177217785.db2.gz AGBJZWDNOZFMKU-AWEZNQCLSA-N 2 0 269.433 1.659 10 0 CDAERP COC[C@@H](C)C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000668818359 482351408 /nfs/dbraw/zinc/35/14/08/482351408.db2.gz GTLFACOSEVWEMN-DZGCQCFKSA-N 2 0 254.418 1.981 10 0 CDAERP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CO[C@H](C3CC3)C2)C1 ZINC000668236376 482224335 /nfs/dbraw/zinc/22/43/35/482224335.db2.gz JHTWBUQQJSZACU-SNPRPXQTSA-N 2 0 252.402 1.875 10 0 CDAERP [NH3+][C@@H]1CCC[C@H](NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000446407231 482473733 /nfs/dbraw/zinc/47/37/33/482473733.db2.gz VOWKYWISAWRNBN-DGTMBMJNSA-N 2 0 265.401 1.293 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)CC[NH2+]C2CC2)CC[N@@H+]1C ZINC000655449218 482494954 /nfs/dbraw/zinc/49/49/54/482494954.db2.gz PKXDEPFDROSYHT-YPMHNXCESA-N 2 0 253.390 1.070 10 0 CDAERP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](CC3CC3)C2)[C@H]2CCC[C@@H]21 ZINC000671746788 482543239 /nfs/dbraw/zinc/54/32/39/482543239.db2.gz IVBNZAASAZRELV-NCOADZHNSA-N 2 0 277.456 1.933 10 0 CDAERP CCCN(CCC[NH+](C)C)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659614881 482666580 /nfs/dbraw/zinc/66/65/80/482666580.db2.gz RZXKARVVNORFKQ-UHFFFAOYSA-N 2 0 282.432 1.112 10 0 CDAERP Cc1nc([C@@](C)(NCCn2ccnc2C)C2CC2)no1 ZINC000645024354 482669664 /nfs/dbraw/zinc/66/96/64/482669664.db2.gz ZMNZPBJDDNWJIW-AWEZNQCLSA-N 2 0 275.356 1.798 10 0 CDAERP Cc1cncc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000402590255 482773979 /nfs/dbraw/zinc/77/39/79/482773979.db2.gz DMQGRDYPMUHEMP-HIFRSBDPSA-N 2 0 260.385 1.544 10 0 CDAERP C[N@H+](CCN1CC[NH2+]CC1)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403209088 482791330 /nfs/dbraw/zinc/79/13/30/482791330.db2.gz PMRIDSCQIKVZJI-QLFBSQMISA-N 2 0 251.418 1.260 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000094648011 482799455 /nfs/dbraw/zinc/79/94/55/482799455.db2.gz AKUFXITXRLZWJO-STQMWFEESA-N 2 0 255.406 1.175 10 0 CDAERP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000094648353 482800485 /nfs/dbraw/zinc/80/04/85/482800485.db2.gz YKXRLEZNGKWQMK-MELADBBJSA-N 2 0 265.401 1.071 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000669402904 482885868 /nfs/dbraw/zinc/88/58/68/482885868.db2.gz ACOPFALBWVEWEH-IUODEOHRSA-N 2 0 290.411 1.600 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000669403303 482888049 /nfs/dbraw/zinc/88/80/49/482888049.db2.gz TWVOICPPVHBXLR-CABCVRRESA-N 2 0 294.443 1.112 10 0 CDAERP CC[N@H+](C)[C@@H](C(=O)NC1CC([NH+](C)C)C1)c1ccccc1 ZINC000670401365 482888864 /nfs/dbraw/zinc/88/88/64/482888864.db2.gz DELMFCJANYOAPC-UYSNPLJNSA-N 2 0 289.423 1.888 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CNC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666945193 483011012 /nfs/dbraw/zinc/01/10/12/483011012.db2.gz CBMOAUDFRFMWCO-KBPBESRZSA-N 2 0 289.358 1.365 10 0 CDAERP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000250564736 483019622 /nfs/dbraw/zinc/01/96/22/483019622.db2.gz DBRNJMXYWBHEGS-XHSDSOJGSA-N 2 0 293.455 1.707 10 0 CDAERP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089448921 483077379 /nfs/dbraw/zinc/07/73/79/483077379.db2.gz PBTMLZLIESYZAK-NWDGAFQWSA-N 2 0 255.406 1.065 10 0 CDAERP C[NH+](C)CC1CCN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089457909 483080843 /nfs/dbraw/zinc/08/08/43/483080843.db2.gz BGERSDPTQWQTGL-KGLIPLIRSA-N 2 0 267.417 1.162 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000667148604 483110875 /nfs/dbraw/zinc/11/08/75/483110875.db2.gz GUNPETMVGBUFDP-NXEZZACHSA-N 2 0 274.328 1.125 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000229404795 483171795 /nfs/dbraw/zinc/17/17/95/483171795.db2.gz XVORBBUNSWSOFT-CYBMUJFWSA-N 2 0 267.417 1.496 10 0 CDAERP O=C(C[C@@H]1CCC[NH2+]C1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157734524 483259423 /nfs/dbraw/zinc/25/94/23/483259423.db2.gz WVPXWODNWMFSPF-MELADBBJSA-N 2 0 265.401 1.119 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000682731094 483342129 /nfs/dbraw/zinc/34/21/29/483342129.db2.gz ULJNFERWZUOXAP-BBRMVZONSA-N 2 0 286.379 1.826 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000136379001 483399210 /nfs/dbraw/zinc/39/92/10/483399210.db2.gz LDMFKSFRNKOVSN-MRXNPFEDSA-N 2 0 291.439 1.950 10 0 CDAERP O=C(C[NH2+][C@@H]1CCCC12CC2)NCC[NH+]1CCCCCC1 ZINC000668189905 483603733 /nfs/dbraw/zinc/60/37/33/483603733.db2.gz SZRWWUISVYRFHJ-OAHLLOKOSA-N 2 0 293.455 1.901 10 0 CDAERP C[C@H](CCC[NH2+]CC1CC1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001700674913 1160713514 /nfs/dbraw/zinc/71/35/14/1160713514.db2.gz XFSKRDAFCQBTOI-HIFRSBDPSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)[C@H]1CCC[C@@H](C[NH3+])C1 ZINC000055161478 519716083 /nfs/dbraw/zinc/71/60/83/519716083.db2.gz OVAPPYSUMWSFPX-CABCVRRESA-N 2 0 283.460 1.798 10 0 CDAERP CC(C)[NH2+]Cc1cc(OCCC[NH+](C)C)ccn1 ZINC000051549291 519726883 /nfs/dbraw/zinc/72/68/83/519726883.db2.gz TVVHBHGMIAAAGG-UHFFFAOYSA-N 2 0 251.374 1.910 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000049220580 519793350 /nfs/dbraw/zinc/79/33/50/519793350.db2.gz YSJKNGGFYREOCH-HUUCEWRRSA-N 2 0 277.412 1.259 10 0 CDAERP CCC[NH2+]Cc1cn(CC[N@@H+]2CCC[C@@H]2C)nn1 ZINC000052375922 519963111 /nfs/dbraw/zinc/96/31/11/519963111.db2.gz JQFQRZYFUIXDLZ-LBPRGKRZSA-N 2 0 251.378 1.262 10 0 CDAERP CCC[NH2+]Cc1cn(CC[N@H+](CC)CCC)nn1 ZINC000052448400 519963232 /nfs/dbraw/zinc/96/32/32/519963232.db2.gz VKIPXCUAGBMICQ-UHFFFAOYSA-N 2 0 253.394 1.510 10 0 CDAERP CCC[NH2+][C@H](CN1CCC([NH+](C)C)CC1)C1CC1 ZINC000069073920 520082246 /nfs/dbraw/zinc/08/22/46/520082246.db2.gz WHXXZXUKXKNLBN-OAHLLOKOSA-N 2 0 253.434 1.791 10 0 CDAERP CCCCC[N@H+](C)CCn1cc(C[NH2+]C(C)C)nn1 ZINC000052454803 520148925 /nfs/dbraw/zinc/14/89/25/520148925.db2.gz CTQNYWUNZIQWMH-UHFFFAOYSA-N 2 0 267.421 1.898 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001733230398 1161160229 /nfs/dbraw/zinc/16/02/29/1161160229.db2.gz ODKORHOBBFKIOY-UONOGXRCSA-N 2 0 267.417 1.175 10 0 CDAERP CC[NH+](CC)CCc1nc(C)c(C[NH2+]CCOC)c(C)n1 ZINC000054854561 520711505 /nfs/dbraw/zinc/71/15/05/520711505.db2.gz GNULKWWCFBTWAD-UHFFFAOYSA-N 2 0 294.443 1.714 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]CC ZINC001715649801 1179751816 /nfs/dbraw/zinc/75/18/16/1179751816.db2.gz WRPXLWOICIEIGS-CHWSQXEVSA-N 2 0 255.406 1.365 10 0 CDAERP C[C@H](CC[NH2+]CC1CCC1)NC(=O)CC[NH+](C)C ZINC001715682341 1179763346 /nfs/dbraw/zinc/76/33/46/1179763346.db2.gz YLDACIJFAKWNRX-GFCCVEGCSA-N 2 0 255.406 1.223 10 0 CDAERP CC(C)[NH+](CCNC(=O)[C@@H]1[C@H](C)CCC[C@@H]1[NH3+])C(C)C ZINC000055125045 519647466 /nfs/dbraw/zinc/64/74/66/519647466.db2.gz QCAAQDSVTZESDC-QLFBSQMISA-N 2 0 283.460 1.985 10 0 CDAERP CC(C)[NH+]1CCC(N(C)C(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000054307807 519669645 /nfs/dbraw/zinc/66/96/45/519669645.db2.gz DPMQGRDSOFVHJU-AWEZNQCLSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000055134778 519715602 /nfs/dbraw/zinc/71/56/02/519715602.db2.gz ZIRUGYZSOBCQKH-CABCVRRESA-N 2 0 283.460 1.940 10 0 CDAERP CC(C)[NH2+]CC1(C[N@H+](C)C[C@H]2CCCO2)CCOCC1 ZINC000052182982 519719700 /nfs/dbraw/zinc/71/97/00/519719700.db2.gz ZWLORCYMBJEFDK-OAHLLOKOSA-N 2 0 284.444 1.892 10 0 CDAERP CC(C)[NH2+]C[C@H]1CC[C@H](C[NH+]2CCC(C[NH+](C)C)CC2)O1 ZINC000052515456 519725812 /nfs/dbraw/zinc/72/58/12/519725812.db2.gz MKNKRPXWTXCGAS-IAGOWNOFSA-N 3 0 297.487 1.806 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CC[C@H](C[NH+]2CCN(C)CC2)O1 ZINC000052379554 519745123 /nfs/dbraw/zinc/74/51/23/519745123.db2.gz HBQHOIQXWNNXBK-LSDHHAIUSA-N 2 0 269.433 1.027 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CC[C@H](C[N@@H+]2CCCN(C)CC2)O1 ZINC000052424386 519746318 /nfs/dbraw/zinc/74/63/18/519746318.db2.gz ISFONZCSVFBFQV-HZPDHXFCSA-N 2 0 283.460 1.417 10 0 CDAERP CCC[NH+]1CCC(NC(=O)C[C@H]2CCCC[NH2+]2)CC1 ZINC000049560228 519844849 /nfs/dbraw/zinc/84/48/49/519844849.db2.gz HXPOOVLRSMFHJH-CQSZACIVSA-N 2 0 267.417 1.509 10 0 CDAERP CC[NH2+]CC1(CN2CCN(CC[NH+](C)C)CC2)CCCC1 ZINC000061653732 519913742 /nfs/dbraw/zinc/91/37/42/519913742.db2.gz ZIZNWKJUXNHWRX-UHFFFAOYSA-N 2 0 296.503 1.336 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](CCCOC)CCOC)O1 ZINC000052543303 519951171 /nfs/dbraw/zinc/95/11/71/519951171.db2.gz UYQCHLGBPRPNIG-GJZGRUSLSA-N 2 0 288.432 1.128 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)Cc2ccoc2)O1 ZINC000052545672 519951876 /nfs/dbraw/zinc/95/18/76/519951876.db2.gz OAHZFIPXPLLEEA-KBPBESRZSA-N 2 0 252.358 1.869 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000061266381 519960455 /nfs/dbraw/zinc/96/04/55/519960455.db2.gz LMSDFSKIYVNTFV-ZDUSSCGKSA-N 2 0 267.417 1.319 10 0 CDAERP CC[NH2+]Cc1ccnc(N2CCC[C@@H]2C[NH+](C)C)c1 ZINC000061654262 520011510 /nfs/dbraw/zinc/01/15/10/520011510.db2.gz VGRAEEJENFVREQ-CQSZACIVSA-N 2 0 262.401 1.722 10 0 CDAERP CC[NH2+]Cc1cccnc1N(C)CC[NH+]1CCCC1 ZINC000063053912 520011518 /nfs/dbraw/zinc/01/15/18/520011518.db2.gz BRXPKEJKRHZLJZ-UHFFFAOYSA-N 2 0 262.401 1.723 10 0 CDAERP CC[NH2+]Cc1coc(CN2CCC[N@H+](C)CC2)c1 ZINC000052424286 520019027 /nfs/dbraw/zinc/01/90/27/520019027.db2.gz AQCWIMAXDXQZGZ-UHFFFAOYSA-N 2 0 251.374 1.527 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)N(C)C1CC[NH+](CC)CC1 ZINC000061269794 520162203 /nfs/dbraw/zinc/16/22/03/520162203.db2.gz MBEOJXYGICJTOP-GFCCVEGCSA-N 2 0 255.406 1.317 10 0 CDAERP CCCO[C@H]1CCC[N@H+](Cc2cccnc2C(N)=[NH2+])C1 ZINC000061658242 520285388 /nfs/dbraw/zinc/28/53/88/520285388.db2.gz PCEWEDCVWZGSNL-ZDUSSCGKSA-N 2 0 276.384 1.757 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(CC[NH2+]C2CCOCC2)C1 ZINC000062974408 520872090 /nfs/dbraw/zinc/87/20/90/520872090.db2.gz PTPBRJJTNUCJQD-HNNXBMFYSA-N 2 0 269.433 1.171 10 0 CDAERP CCC[C@@](C)(C[NH2+]C)CN1CCN(CC[NH+](C)C)CC1 ZINC000061653726 520908616 /nfs/dbraw/zinc/90/86/16/520908616.db2.gz JSXAXDMZHDVVEY-INIZCTEOSA-N 2 0 284.492 1.191 10 0 CDAERP CC[N@H+](Cc1ccnc(C(N)=[NH2+])c1)[C@@H](C)COC ZINC000068761669 521412500 /nfs/dbraw/zinc/41/25/00/521412500.db2.gz NBLPPGRKZOJBFU-JTQLQIEISA-N 2 0 250.346 1.222 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]([NH3+])CC[C@@H]2C)CC1 ZINC000055140056 521551901 /nfs/dbraw/zinc/55/19/01/521551901.db2.gz SLBZBLDMVNTZAD-NWANDNLSSA-N 2 0 281.444 1.598 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)CCC2CC[NH2+]CC2)C1 ZINC000050949652 521617445 /nfs/dbraw/zinc/61/74/45/521617445.db2.gz FJXGWFQCTNEYES-CQSZACIVSA-N 2 0 267.417 1.367 10 0 CDAERP CCCN(CC[NH+](C)C)[C@]1(C[NH3+])CCCSC1 ZINC000061590285 521659127 /nfs/dbraw/zinc/65/91/27/521659127.db2.gz SEWPZLFCQOBDIM-ZDUSSCGKSA-N 2 0 259.463 1.485 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)CC[C@H]1CCCC[NH2+]1 ZINC000061645143 521827508 /nfs/dbraw/zinc/82/75/08/521827508.db2.gz BRYJAQCMWYIBMO-KGLIPLIRSA-N 2 0 267.417 1.461 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000061656184 521861628 /nfs/dbraw/zinc/86/16/28/521861628.db2.gz KMLHUEVJJKTGRS-MJBXVCDLSA-N 2 0 267.417 1.447 10 0 CDAERP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCn1ccnc1 ZINC000054601906 521954234 /nfs/dbraw/zinc/95/42/34/521954234.db2.gz WJYHFDILHKFMGH-GOOCMWNKSA-N 2 0 262.401 1.878 10 0 CDAERP C[NH2+]CC1(C[N@H+](C)CCc2ccccn2)CCOCC1 ZINC000052181154 521966092 /nfs/dbraw/zinc/96/60/92/521966092.db2.gz MSNOTNUGUKNWFT-UHFFFAOYSA-N 2 0 277.412 1.572 10 0 CDAERP C[NH+](C)[C@H]1CCN([C@@](C)(C[NH3+])CCc2ccccc2)C1 ZINC000062964667 522105092 /nfs/dbraw/zinc/10/50/92/522105092.db2.gz UQOPSYIIEIJSQA-DLBZAZTESA-N 2 0 275.440 1.973 10 0 CDAERP C[NH2+]Cc1sc(N2CC[NH+](CC(C)C)CC2)nc1C ZINC000055076602 522167089 /nfs/dbraw/zinc/16/70/89/522167089.db2.gz MQEBNZCUTQAJCW-UHFFFAOYSA-N 2 0 282.457 1.949 10 0 CDAERP C[NH2+][C@H]1CCC[C@H]1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062979543 522498974 /nfs/dbraw/zinc/49/89/74/522498974.db2.gz CXUYSUZGIJLBGW-SOUVJXGZSA-N 2 0 251.418 1.687 10 0 CDAERP CC[C@@H]([NH3+])[C@H](N1CCC[C@@H]1C[NH+](C)C)C(F)(F)F ZINC000061642250 522651096 /nfs/dbraw/zinc/65/10/96/522651096.db2.gz ITMIIJFFCBPHDE-MXWKQRLJSA-N 2 0 267.339 1.681 10 0 CDAERP CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC1(C[NH3+])CCOCC1 ZINC000052197598 523505301 /nfs/dbraw/zinc/50/53/01/523505301.db2.gz LVFCWKBEAGWUQU-QWHCGFSZSA-N 2 0 256.390 1.241 10 0 CDAERP C[NH+]1CCC(CC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000363774818 523752397 /nfs/dbraw/zinc/75/23/97/523752397.db2.gz HVQMLEJLADDTKB-INIZCTEOSA-N 2 0 293.455 1.663 10 0 CDAERP COCC[N@H+](Cc1cc[nH+]c(NN)c1)[C@@H](C)C1CC1 ZINC000052721126 523768882 /nfs/dbraw/zinc/76/88/82/523768882.db2.gz QTQQRKZCKAFXCL-NSHDSACASA-N 2 0 264.373 1.614 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)CC1 ZINC000353316886 523781115 /nfs/dbraw/zinc/78/11/15/523781115.db2.gz VIHVFAOVVRRDIU-HRCADAONSA-N 2 0 296.455 1.628 10 0 CDAERP CC[C@H](C)[N@H+](CCOC)Cc1ccnc(C[NH3+])c1 ZINC000068750196 523939030 /nfs/dbraw/zinc/93/90/30/523939030.db2.gz ABSUAXVRZYAQQB-LBPRGKRZSA-N 2 0 251.374 1.787 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[C@@H](C)[C@@H]([NH3+])C1)[NH+]1CCCCC1 ZINC000055135324 524451830 /nfs/dbraw/zinc/45/18/30/524451830.db2.gz MCFZJHJJTBDTEF-KBXIAJHMSA-N 2 0 281.444 1.741 10 0 CDAERP C[C@@H](CC[NH+](C)C)[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000049557321 524473462 /nfs/dbraw/zinc/47/34/62/524473462.db2.gz KFQMRTJLNCHMCF-SMDDNHRTSA-N 2 0 254.349 1.789 10 0 CDAERP C[C@H](CNCC(F)(F)F)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000063124296 524480684 /nfs/dbraw/zinc/48/06/84/524480684.db2.gz HFIRZQRPCMXIQK-LLVKDONJSA-N 2 0 281.366 1.800 10 0 CDAERP C[C@@H]1CC[C@@H](C(=O)NCC(C)(C)C[NH+](C)C)C[C@@H]1[NH3+] ZINC000055125284 524557486 /nfs/dbraw/zinc/55/74/86/524557486.db2.gz ZVUWGUBITVCZCB-UPJWGTAASA-N 2 0 269.433 1.454 10 0 CDAERP Cc1cc(C[NH+]2CCC(C[NH+](C)C)CC2)oc1C[NH3+] ZINC000052515347 524673382 /nfs/dbraw/zinc/67/33/82/524673382.db2.gz VOGUXNOFVYBHLA-UHFFFAOYSA-N 3 0 265.401 1.820 10 0 CDAERP C[C@@H]1CSCC[N@@H+]1CCCOC1CC[NH2+]CC1 ZINC000070222746 525171086 /nfs/dbraw/zinc/17/10/86/525171086.db2.gz ZDKNNGFVYSGLEA-GFCCVEGCSA-N 2 0 258.431 1.582 10 0 CDAERP COc1cccc(C[N@H+](C)CCN2CCC[NH2+]CC2)c1 ZINC000061275245 525913704 /nfs/dbraw/zinc/91/37/04/525913704.db2.gz ONHYKAGXUXITKW-UHFFFAOYSA-N 2 0 277.412 1.422 10 0 CDAERP C[C@@H](c1ccccc1)[C@@H](C[NH3+])N1CC[C@H]([NH+](C)C)C1 ZINC000062964559 526096544 /nfs/dbraw/zinc/09/65/44/526096544.db2.gz DQIICZZWSQHUET-CWRNSKLLSA-N 2 0 261.413 1.753 10 0 CDAERP c1ccc([C@H]2C[C@@H]2[NH2+]CCN2CCC[NH2+]CC2)cc1 ZINC000061275647 526498284 /nfs/dbraw/zinc/49/82/84/526498284.db2.gz DYZHUSDYIUKLIM-CVEARBPZSA-N 2 0 259.397 1.427 10 0 CDAERP NC(=[NH2+])c1ccc(N2CC[C@H]([NH+]3CCCC3)C2)c(F)c1 ZINC000062980575 526822773 /nfs/dbraw/zinc/82/27/73/526822773.db2.gz LIPHJRJSYGBAIN-LBPRGKRZSA-N 2 0 276.359 1.784 10 0 CDAERP [NH3+]Cc1cc(CN2CC[NH+](CC3CC3)CC2)ccn1 ZINC000068749932 527248134 /nfs/dbraw/zinc/24/81/34/527248134.db2.gz DIKKQJPBZSJHSI-UHFFFAOYSA-N 2 0 260.385 1.068 10 0 CDAERP CCC[NH+]1CCC(NC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000334604135 535354268 /nfs/dbraw/zinc/35/42/68/535354268.db2.gz TWXIMGVTINVSBQ-ZFWWWQNUSA-N 2 0 294.443 1.254 10 0 CDAERP CC[NH+](CC)CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000249964698 535537407 /nfs/dbraw/zinc/53/74/07/535537407.db2.gz NMNGCSVTADZCSL-MJBXVCDLSA-N 2 0 267.417 1.365 10 0 CDAERP CC[NH+](CC)Cc1ccc(CNC(=O)NCCC[NH3+])cc1 ZINC000416889840 535604683 /nfs/dbraw/zinc/60/46/83/535604683.db2.gz RWYLETVKZJTWFU-UHFFFAOYSA-N 2 0 292.427 1.676 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCNC(=O)c1cccc(C)c1 ZINC000422730274 536595408 /nfs/dbraw/zinc/59/54/08/536595408.db2.gz JMAJSDKSCZXQLX-OAHLLOKOSA-N 2 0 293.411 1.068 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](c1ccsc1)N(C)C ZINC000422812088 536596909 /nfs/dbraw/zinc/59/69/09/536596909.db2.gz XERJWBGIAJXLNO-ZIAGYGMSSA-N 2 0 285.457 1.694 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000234790043 536850888 /nfs/dbraw/zinc/85/08/88/536850888.db2.gz YUMQPFNVSBOZHK-KBPBESRZSA-N 2 0 264.369 1.334 10 0 CDAERP CCC[NH+]1CCC([NH2+]C[C@H]2CN(CC)CCO2)CC1 ZINC000092052435 538510982 /nfs/dbraw/zinc/51/09/82/538510982.db2.gz KJBLNNHERJOFPX-HNNXBMFYSA-N 2 0 269.433 1.171 10 0 CDAERP CC[N@H+](C)[C@@H]1CCN(C(=O)N[C@H](C)C2=CC[NH+](C)CC2)C1 ZINC001680009100 1174521454 /nfs/dbraw/zinc/52/14/54/1174521454.db2.gz KJQLHVHKJCRRAI-UKRRQHHQSA-N 2 0 294.443 1.372 10 0 CDAERP C[N@@H+]1CCC[C@]2(C[NH2+]C[C@H]2C(=O)OC(C)(C)C)CC1 ZINC000757184553 574901541 /nfs/dbraw/zinc/90/15/41/574901541.db2.gz LQBBNANVNASNPN-SWLSCSKDSA-N 2 0 268.401 1.650 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1C ZINC000763054837 576704927 /nfs/dbraw/zinc/70/49/27/576704927.db2.gz PAMCSCXOKYEKKU-CHWSQXEVSA-N 2 0 267.417 1.412 10 0 CDAERP Cc1ccc(NC(=O)N[C@H]2CCC[N@H+](C)C2)c(N(C)C)n1 ZINC000750403286 576986924 /nfs/dbraw/zinc/98/69/24/576986924.db2.gz HFGWEAPJRLHRQH-LBPRGKRZSA-N 2 0 291.399 1.672 10 0 CDAERP CCCC[N@H+](C)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001689878048 1175291609 /nfs/dbraw/zinc/29/16/09/1175291609.db2.gz VGPCKWREIFANQM-UHFFFAOYSA-N 2 0 267.417 1.320 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)[C@H](C)COC ZINC001689939284 1175318164 /nfs/dbraw/zinc/31/81/64/1175318164.db2.gz NIUSYDGMGKAHKB-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP c1cc(C[NH2+]CCCC[NH+]2CCOCC2)cs1 ZINC000125924295 1175421237 /nfs/dbraw/zinc/42/12/37/1175421237.db2.gz KDBMLGJCZHEPHR-UHFFFAOYSA-N 2 0 254.399 1.950 10 0 CDAERP CCN(CC)C(=O)CCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925598727 617543273 /nfs/dbraw/zinc/54/32/73/617543273.db2.gz UEBMHPNHTDQLJY-CYBMUJFWSA-N 2 0 267.417 1.509 10 0 CDAERP C[NH+](C)CCN1CCC([NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925608101 617550064 /nfs/dbraw/zinc/55/00/64/617550064.db2.gz YQUFJMWDFHOYNK-ZBFHGGJFSA-N 3 0 296.503 1.508 10 0 CDAERP O[C@]1(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CCSC1 ZINC000925623448 617571139 /nfs/dbraw/zinc/57/11/39/617571139.db2.gz RHHOKYRPHPQNOQ-ILXRZTDVSA-N 2 0 284.469 1.612 10 0 CDAERP C(C[C@@H]1CCCOC1)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925720308 617844064 /nfs/dbraw/zinc/84/40/64/617844064.db2.gz GEJFSQODAKTQCS-UQGHGMQMSA-N 2 0 250.386 1.389 10 0 CDAERP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3C[C@H]4CCC[C@H]4O3)C[C@]2(C)C1 ZINC000933733321 617599047 /nfs/dbraw/zinc/59/90/47/617599047.db2.gz CHTWZDFSWADWDM-LJIZCISZSA-N 2 0 264.413 1.828 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CC(=O)N(CC2CC2)C1 ZINC000925772623 617645640 /nfs/dbraw/zinc/64/56/40/617645640.db2.gz TUAYRQVNBUJJOO-KPJWVJDJSA-N 2 0 277.412 1.103 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925777094 617673682 /nfs/dbraw/zinc/67/36/82/617673682.db2.gz NVYVIGDONZYXEN-HXFVIYLFSA-N 3 0 273.371 1.337 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000925785631 617708150 /nfs/dbraw/zinc/70/81/50/617708150.db2.gz LSINIMCKSZRJKR-ARILJUKYSA-N 2 0 252.402 1.637 10 0 CDAERP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1cccc(F)c1 ZINC000925807017 617747473 /nfs/dbraw/zinc/74/74/73/617747473.db2.gz CPSQWHXUDJHIJX-GFCCVEGCSA-N 2 0 265.376 1.899 10 0 CDAERP C(CN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1)C[NH2+]C1CC1 ZINC000925711375 617806613 /nfs/dbraw/zinc/80/66/13/617806613.db2.gz YMHTTYHWOPQDLX-CVEARBPZSA-N 2 0 265.445 1.886 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000925829409 617847099 /nfs/dbraw/zinc/84/70/99/617847099.db2.gz DBZRZIFOHXKUPE-SECBINFHSA-N 2 0 294.321 1.282 10 0 CDAERP O=C1C[C@H](CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CN1 ZINC000925837501 617868090 /nfs/dbraw/zinc/86/80/90/617868090.db2.gz FZHQFHPKXSQWAO-GBJTYRQASA-N 2 0 279.428 1.413 10 0 CDAERP C[C@@H]1C[C@@H](NC[C@]23CCC[C@H]2[NH2+]CC3)CC[N@@H+]1C ZINC000925840407 617870994 /nfs/dbraw/zinc/87/09/94/617870994.db2.gz AAOYFNXEMXMMGR-LXTVHRRPSA-N 2 0 251.418 1.591 10 0 CDAERP CC(C)COC(=O)N1CCC([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000925883050 617969519 /nfs/dbraw/zinc/96/95/19/617969519.db2.gz SHPNCXQRCVDWSJ-KGLIPLIRSA-N 2 0 297.443 1.960 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000925765354 618144898 /nfs/dbraw/zinc/14/48/98/618144898.db2.gz MWKHMAGPIRLWLU-WCBJTDJXSA-N 2 0 252.402 1.907 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@H]2C[C@H](C)n3ncnc32)CC1 ZINC000924954212 618389905 /nfs/dbraw/zinc/38/99/05/618389905.db2.gz FYPGXGIVHZSMJT-JSGCOSHPSA-N 2 0 277.416 1.996 10 0 CDAERP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccnnc1 ZINC000924964735 618467631 /nfs/dbraw/zinc/46/76/31/618467631.db2.gz CKJQAWFJKDAHLC-CQSZACIVSA-N 2 0 277.416 1.155 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](O)c1ccc(C)cc1 ZINC000817891628 618485881 /nfs/dbraw/zinc/48/58/81/618485881.db2.gz FTXMJKKCGFFFRD-CABCVRRESA-N 2 0 266.385 1.372 10 0 CDAERP Cc1n[nH]c(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1C ZINC000894782988 619058534 /nfs/dbraw/zinc/05/85/34/619058534.db2.gz OQFDIUVEWJAQLU-IINYFYTJSA-N 2 0 250.390 1.799 10 0 CDAERP CC1=NO[C@@H](C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000895302558 619534747 /nfs/dbraw/zinc/53/47/47/619534747.db2.gz SYYMCEMAPPXTJH-CQSZACIVSA-N 2 0 271.324 1.522 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000896112356 619988073 /nfs/dbraw/zinc/98/80/73/619988073.db2.gz WCQIHWIXYVIBRD-QWHCGFSZSA-N 2 0 267.417 1.412 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000896261024 620038005 /nfs/dbraw/zinc/03/80/05/620038005.db2.gz YCNXMTXJWMBZRH-HUUCEWRRSA-N 2 0 279.428 1.558 10 0 CDAERP C[N@H+](CCCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)C1CC1 ZINC000909555140 620287740 /nfs/dbraw/zinc/28/77/40/620287740.db2.gz IBJDTFJSQWIDOO-HOTGVXAUSA-N 2 0 293.455 1.994 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+]C1[C@H](C)COC[C@H]1C ZINC000925241217 620610136 /nfs/dbraw/zinc/61/01/36/620610136.db2.gz NTTCUPJBIJWGCY-MGPQQGTHSA-N 2 0 272.433 1.604 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000925316974 621041652 /nfs/dbraw/zinc/04/16/52/621041652.db2.gz KLTKMVGOLJGPFV-KFWWJZLASA-N 2 0 294.443 1.349 10 0 CDAERP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC000898841125 621896085 /nfs/dbraw/zinc/89/60/85/621896085.db2.gz LIHPYVJERMSDBX-ZIAGYGMSSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H](NC(=[NH2+])NCC[N@@H+]1CCCC1(C)C)C1CC1 ZINC000899273149 622138466 /nfs/dbraw/zinc/13/84/66/622138466.db2.gz XOVWTQQDQPOBCN-LLVKDONJSA-N 2 0 252.406 1.773 10 0 CDAERP C1C[NH2+][C@H](c2noc([C@@H]3CC[NH2+][C@@H]([C@@H]4CCCO4)C3)n2)C1 ZINC000900010225 622633618 /nfs/dbraw/zinc/63/36/18/622633618.db2.gz PRDZPANOHHNRAU-XQHKEYJVSA-N 2 0 292.383 1.509 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C12CC[NH+](CC1)C2 ZINC000900343162 622918742 /nfs/dbraw/zinc/91/87/42/622918742.db2.gz ASEYVVOFRMWLGH-KBPBESRZSA-N 2 0 279.428 1.319 10 0 CDAERP C1[C@@H]2[C@H]1[C@@H]1O[C@H]2C[C@H]1[NH2+][C@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000902453256 624836675 /nfs/dbraw/zinc/83/66/75/624836675.db2.gz OIVYUJQQCLUOOS-AKYJLQSSSA-N 2 0 262.397 1.673 10 0 CDAERP C1C[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C2(C1)CCOCC2 ZINC000902469462 624860899 /nfs/dbraw/zinc/86/08/99/624860899.db2.gz QZSLTFDXXDKXGI-DGAVXFQQSA-N 2 0 250.386 1.818 10 0 CDAERP CC(=O)N1CC[C@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c2ccccc2C1 ZINC000902470413 624863168 /nfs/dbraw/zinc/86/31/68/624863168.db2.gz WTYUBTHKJAIUON-DZJNRPSUSA-N 2 0 299.418 1.962 10 0 CDAERP COc1cc(C[N@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)ccc1O ZINC000903429558 625989498 /nfs/dbraw/zinc/98/94/98/625989498.db2.gz GVZRWXPSICXUJV-YPMHNXCESA-N 2 0 264.369 1.960 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)C1 ZINC000903433239 625990586 /nfs/dbraw/zinc/99/05/86/625990586.db2.gz WOPBPCLFLLURCO-LZWOXQAQSA-N 2 0 282.428 1.774 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2CS(=O)(=O)Cc3ccccc32)C1 ZINC000903464260 625996782 /nfs/dbraw/zinc/99/67/82/625996782.db2.gz FKPUQVOYQBXWAD-LNSITVRQSA-N 2 0 294.420 1.373 10 0 CDAERP CCC[NH+]1CCC(N(C)C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903441799 625996901 /nfs/dbraw/zinc/99/69/01/625996901.db2.gz BBXPYDSYULKLCI-KGLIPLIRSA-N 2 0 253.434 1.648 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN(Cc3cccnc3)CC2)C1 ZINC000903455504 626001922 /nfs/dbraw/zinc/00/19/22/626001922.db2.gz XCWRFQDUYXIDQN-GOEBONIOSA-N 2 0 274.412 1.327 10 0 CDAERP CC(C)COC(=O)N1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903454835 626001999 /nfs/dbraw/zinc/00/19/99/626001999.db2.gz KIYNTLFDQWNZPM-CABCVRRESA-N 2 0 297.443 1.914 10 0 CDAERP [NH3+]C[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H]1C(F)(F)F ZINC000903477898 626005687 /nfs/dbraw/zinc/00/56/87/626005687.db2.gz BGRBSECYESNLDG-RCWTZXSCSA-N 3 0 265.323 1.183 10 0 CDAERP C(CC1CC[NH2+]CC1)[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903484412 626007355 /nfs/dbraw/zinc/00/73/55/626007355.db2.gz QTIKCDCBVCYSRD-AWEZNQCLSA-N 3 0 251.418 1.640 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)Nc2ccc(Cl)nc2)C[C@H]1CC[NH3+] ZINC000903498471 626008871 /nfs/dbraw/zinc/00/88/71/626008871.db2.gz GSQBHCSSBUFEOF-GHMZBOCLSA-N 2 0 296.802 1.590 10 0 CDAERP C([C@H]1CCCC[NH2+]C1)N1CC[NH2+]CCC12CCC2 ZINC000903782483 626092631 /nfs/dbraw/zinc/09/26/31/626092631.db2.gz NILSXNKBRBYOJV-AWEZNQCLSA-N 2 0 251.418 1.594 10 0 CDAERP C[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)CC1CCCC1 ZINC000903888435 626123549 /nfs/dbraw/zinc/12/35/49/626123549.db2.gz BXGKDAVKYUTGLE-CQSZACIVSA-N 2 0 277.416 1.825 10 0 CDAERP O=C1NCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1ccccc1 ZINC000903889306 626124149 /nfs/dbraw/zinc/12/41/49/626124149.db2.gz QJMIPVBAXGKJOK-CVGRLMLNSA-N 2 0 299.418 1.690 10 0 CDAERP C[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)CC(C)(C)C ZINC000903886192 626133736 /nfs/dbraw/zinc/13/37/36/626133736.db2.gz NMUHNWJKIQMQND-LBPRGKRZSA-N 2 0 265.405 1.681 10 0 CDAERP C[N@H+](CCN1CCCC1=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903893201 626134726 /nfs/dbraw/zinc/13/47/26/626134726.db2.gz SGSSMZDLXBMHJJ-AGUYFDCRSA-N 2 0 265.401 1.071 10 0 CDAERP CSC[C@H]1CCC[N@@H+]1C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903900082 626138178 /nfs/dbraw/zinc/13/81/78/626138178.db2.gz ZPEPFADBWNYMPT-DZGCQCFKSA-N 2 0 296.484 1.673 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@H+](C)[C@H](CO)C(C)(C)C)cnn1C ZINC000903900057 626138280 /nfs/dbraw/zinc/13/82/80/626138280.db2.gz ZKKURLBUBQKAQG-UKRRQHHQSA-N 2 0 296.459 1.185 10 0 CDAERP C[C@@H]1CCSCC[N@@H+]1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903908594 626142566 /nfs/dbraw/zinc/14/25/66/626142566.db2.gz LQSVBBWIWKYEKL-OLZOCXBDSA-N 2 0 295.456 1.530 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[NH2+][C@@]2(C)CC=CCC2)cnn1C ZINC000903929275 626150465 /nfs/dbraw/zinc/15/04/65/626150465.db2.gz CWVYEVFFIOBAPU-ZBFHGGJFSA-N 2 0 276.428 1.934 10 0 CDAERP [NH3+][C@H](CC(F)F)CN1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000903931770 626151844 /nfs/dbraw/zinc/15/18/44/626151844.db2.gz HVHSOWHWYUGDMJ-LPWJVIDDSA-N 2 0 291.386 1.330 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[NH2+][C@@H]2CCCC[C@@H]2F)cnn1C ZINC000903935699 626153714 /nfs/dbraw/zinc/15/37/14/626153714.db2.gz SMSCXIWCOVXKBZ-AEGPPILISA-N 2 0 282.407 1.716 10 0 CDAERP C[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)C1CC[NH2+]CC1 ZINC000903937442 626155714 /nfs/dbraw/zinc/15/57/14/626155714.db2.gz LAHZESYJOXWWNB-CYBMUJFWSA-N 3 0 273.424 1.810 10 0 CDAERP C[C@]1(CN2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CC[NH2+]C1 ZINC000903983074 626167697 /nfs/dbraw/zinc/16/76/97/626167697.db2.gz BGDGEEDENUMIOV-MXWKQRLJSA-N 2 0 265.323 1.198 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1ccc2c(c1)C[NH2+]CC2 ZINC000903978458 626169852 /nfs/dbraw/zinc/16/98/52/626169852.db2.gz GCQKAANAKYWASB-CZUORRHYSA-N 3 0 273.424 1.668 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1nc2c(s1)C[NH2+]CC2 ZINC000903978481 626170093 /nfs/dbraw/zinc/17/00/93/626170093.db2.gz GYYJHSHVELLDNK-GHMZBOCLSA-N 3 0 280.441 1.124 10 0 CDAERP COC(=O)c1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000903965104 626171874 /nfs/dbraw/zinc/17/18/74/626171874.db2.gz VCYPJEHRUFBMGC-RISCZKNCSA-N 2 0 262.353 1.418 10 0 CDAERP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903966842 626172240 /nfs/dbraw/zinc/17/22/40/626172240.db2.gz CYMZAQIUOBNZSD-UPJWGTAASA-N 2 0 293.386 1.988 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@H]2C[NH+](C)C)C1 ZINC000906522607 627303600 /nfs/dbraw/zinc/30/36/00/627303600.db2.gz CGCFSTUXNAOIFE-LSDHHAIUSA-N 2 0 281.444 1.661 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC000906584989 627338707 /nfs/dbraw/zinc/33/87/07/627338707.db2.gz NQSKJWONAMPLTB-KBPBESRZSA-N 2 0 267.417 1.319 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC000906627506 627359716 /nfs/dbraw/zinc/35/97/16/627359716.db2.gz HOKJZVAKGHPVCS-AWEZNQCLSA-N 2 0 281.444 1.661 10 0 CDAERP CC1=CC[N@H+](CCNC(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC000907387194 627633968 /nfs/dbraw/zinc/63/39/68/627633968.db2.gz ZVQBOWRWTVEVTB-CVEARBPZSA-N 2 0 291.439 1.772 10 0 CDAERP CCCN(CCC[NH+](C)C)C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000907657164 627767992 /nfs/dbraw/zinc/76/79/92/627767992.db2.gz CNQYHDFTOIANQY-MRXNPFEDSA-N 2 0 299.459 1.024 10 0 CDAERP O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)C12CC[NH+](CC1)C2 ZINC000913160280 630380847 /nfs/dbraw/zinc/38/08/47/630380847.db2.gz XAQXIBQNWROJMC-CQSZACIVSA-N 2 0 277.412 1.215 10 0 CDAERP C[NH+](C)CC1(C(=O)N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)CC1 ZINC000913275989 630428235 /nfs/dbraw/zinc/42/82/35/630428235.db2.gz WPQKMBPCTLAGQH-GJZGRUSLSA-N 2 0 279.428 1.128 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000914069252 631006738 /nfs/dbraw/zinc/00/67/38/631006738.db2.gz VGXUOAAHNDWNON-AGIUHOORSA-N 2 0 270.421 1.109 10 0 CDAERP C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)Cc1cnc[nH]1 ZINC000914441169 631479451 /nfs/dbraw/zinc/47/94/51/631479451.db2.gz DIKZIIUYQWEKBH-JSGCOSHPSA-N 2 0 278.400 1.674 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N[C@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC000920515963 632801611 /nfs/dbraw/zinc/80/16/11/632801611.db2.gz XQAFBVFZAKKWJK-ZFWWWQNUSA-N 2 0 296.459 1.500 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001266790782 1158831506 /nfs/dbraw/zinc/83/15/06/1158831506.db2.gz OAYKKTUGFTVSGL-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)[NH2+]C/C=C\CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001268552273 1159969125 /nfs/dbraw/zinc/96/91/25/1159969125.db2.gz KXXFWOBQVYSUIS-OPVGQWETSA-N 2 0 262.357 1.184 10 0 CDAERP C[C@@H](F)CC[N@H+](C)[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001409565442 1160848845 /nfs/dbraw/zinc/84/88/45/1160848845.db2.gz IOGOXQNERFRKGE-KGLIPLIRSA-N 2 0 299.434 1.799 10 0 CDAERP C[C@@H](F)CC[NH2+]C1(CNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001483779127 1161236966 /nfs/dbraw/zinc/23/69/66/1161236966.db2.gz PGEYFGSDTDODFB-CQSZACIVSA-N 2 0 299.434 1.705 10 0 CDAERP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cc[nH]c(=O)c2)CC1 ZINC000921840101 1161442803 /nfs/dbraw/zinc/44/28/03/1161442803.db2.gz AOXMNMQIOCODPQ-UHFFFAOYSA-N 2 0 279.384 1.112 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001628265272 1166056589 /nfs/dbraw/zinc/05/65/89/1166056589.db2.gz NKRDFKKDBVJEQG-MCIONIFRSA-N 2 0 269.433 1.563 10 0 CDAERP [NH3+][C@@H]1CN(C(=O)[C@H]2CCCC[C@H]2[NH3+])C[C@H]1c1ccccc1 ZINC001645879109 1167548419 /nfs/dbraw/zinc/54/84/19/1167548419.db2.gz FEBDIMKFLXCVHO-CAOSSQGBSA-N 2 0 287.407 1.457 10 0 CDAERP CC(C)(C)[NH+]1CCN(C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC001645904464 1167561696 /nfs/dbraw/zinc/56/16/96/1167561696.db2.gz WWLLXNXFGYMROI-UHFFFAOYSA-N 2 0 282.432 1.241 10 0 CDAERP Cc1ncc(C[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)o1 ZINC001567556160 1168851964 /nfs/dbraw/zinc/85/19/64/1168851964.db2.gz RVSIWTXIYCQHJC-CQSZACIVSA-N 2 0 296.415 1.117 10 0 CDAERP CC[C@H](C)C[NH+]1CC(CNC(=O)CC[N@H+](C)CC)C1 ZINC001567844012 1169012093 /nfs/dbraw/zinc/01/20/93/1169012093.db2.gz AVJQDTSVUBRFMX-ZDUSSCGKSA-N 2 0 269.433 1.422 10 0 CDAERP CC[NH+](CC)CC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC001649366189 1169244659 /nfs/dbraw/zinc/24/46/59/1169244659.db2.gz ZEUCNDOPUKGTKH-DZGCQCFKSA-N 2 0 281.444 1.850 10 0 CDAERP CC[NH+](CC)C1CCN(C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001649926894 1169506083 /nfs/dbraw/zinc/50/60/83/1169506083.db2.gz RNDGBAGUOHAKAL-UONOGXRCSA-N 2 0 296.459 1.643 10 0 CDAERP Cc1nccn1CC(=O)N1CCC[C@H]1C[NH2+]CC[C@H](C)F ZINC001569564847 1169925780 /nfs/dbraw/zinc/92/57/80/1169925780.db2.gz LIKHSEXNUYPSOY-JSGCOSHPSA-N 2 0 296.390 1.520 10 0 CDAERP CC[NH2+]CCC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001571322785 1170364685 /nfs/dbraw/zinc/36/46/85/1170364685.db2.gz WKMJZIYWQNFSKV-QWHCGFSZSA-N 2 0 257.422 1.467 10 0 CDAERP CCCCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001571388721 1170406012 /nfs/dbraw/zinc/40/60/12/1170406012.db2.gz WMXNJIKNCVOSKM-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCCF)C[C@H]1C ZINC001671251547 1171157848 /nfs/dbraw/zinc/15/78/48/1171157848.db2.gz LBBLCAQHLMLNRF-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP CN(Cc1ccccc1)C[C@H](O)C[N@H+](C)C1CCC1 ZINC000075841260 1172143057 /nfs/dbraw/zinc/14/30/57/1172143057.db2.gz UTLIPTYXBZQDRG-INIZCTEOSA-N 2 0 262.397 1.964 10 0 CDAERP CC[NH2+][C@H](CC)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001665803613 1173064379 /nfs/dbraw/zinc/06/43/79/1173064379.db2.gz AIDAVMOFDGAWFX-CHWSQXEVSA-N 2 0 255.406 1.365 10 0 CDAERP CCC[NH2+]C[C@](C)(NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001666021340 1173101556 /nfs/dbraw/zinc/10/15/56/1173101556.db2.gz BNQYNDVZJIZADD-CJNGLKHVSA-N 2 0 281.444 1.613 10 0 CDAERP CCC[NH2+]CC[C@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001668095491 1173367897 /nfs/dbraw/zinc/36/78/97/1173367897.db2.gz ABMRDHPNDPCEPW-UONOGXRCSA-N 2 0 269.433 1.755 10 0 CDAERP C[C@H](C[NH2+]CC1=CCCCC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001669384265 1173543254 /nfs/dbraw/zinc/54/32/54/1173543254.db2.gz BZDISNHPXDFCLJ-CQSZACIVSA-N 2 0 293.455 1.923 10 0 CDAERP CC(C)=CC[NH2+][C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001673876940 1173892193 /nfs/dbraw/zinc/89/21/93/1173892193.db2.gz AFVMILNOKGKQBM-GJZGRUSLSA-N 2 0 293.455 1.873 10 0 CDAERP CC[N@H+](C)CCC(=O)NCC1=CC[NH+](CC[C@H](C)F)CC1 ZINC001677621342 1174379605 /nfs/dbraw/zinc/37/96/05/1174379605.db2.gz OYBAZRLHIVJDIN-AWEZNQCLSA-N 2 0 299.434 1.825 10 0 CDAERP COCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C(C)C ZINC001690216740 1175404980 /nfs/dbraw/zinc/40/49/80/1175404980.db2.gz XPHOFSRDSWIGEA-GASCZTMLSA-N 2 0 297.443 1.038 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CCC(C)(C)C)C1 ZINC001690701901 1175549172 /nfs/dbraw/zinc/54/91/72/1175549172.db2.gz RQXWJKGUGKMXER-LSDHHAIUSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCCCC[C@H]([NH2+]CCCO)C1 ZINC001692334771 1175739606 /nfs/dbraw/zinc/73/96/06/1175739606.db2.gz YQHOXRHJBHNLSV-HNNXBMFYSA-N 2 0 299.459 1.071 10 0 CDAERP CC(C)[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CCCF ZINC001698971999 1176001552 /nfs/dbraw/zinc/00/15/52/1176001552.db2.gz LTQLESZSTVJBGJ-ZIAGYGMSSA-N 2 0 287.423 1.418 10 0 CDAERP CC(C)CC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001698983021 1176005997 /nfs/dbraw/zinc/00/59/97/1176005997.db2.gz DHZHSELOENQXCU-CQSZACIVSA-N 2 0 269.433 1.517 10 0 CDAERP C[C@@H](CC[NH2+]CCC1CC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001699088193 1176083168 /nfs/dbraw/zinc/08/31/68/1176083168.db2.gz NOVLEQOFBBNLLM-JSGCOSHPSA-N 2 0 267.417 1.365 10 0 CDAERP CCN(CC[NH2+]CC1CC1)C(=O)CC1CC[NH+](C)CC1 ZINC001699207018 1176139207 /nfs/dbraw/zinc/13/92/07/1176139207.db2.gz JGZXZGQZVDSFBK-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)OCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001699440788 1176404467 /nfs/dbraw/zinc/40/44/67/1176404467.db2.gz BRQOXIFPYJXCHH-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCCOC)C[C@H]1C ZINC001699738749 1176598663 /nfs/dbraw/zinc/59/86/63/1176598663.db2.gz MFCRISLTVGIVLA-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP CCCC[NH2+]C[C@@]1(C)CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001699854133 1176657270 /nfs/dbraw/zinc/65/72/70/1176657270.db2.gz QTXMBWZOPXGESI-MRXNPFEDSA-N 2 0 283.460 1.957 10 0 CDAERP CC(C)[NH+]1CC([C@@H](C)NC(=O)CCCC[NH+](C)C)C1 ZINC001700555818 1177012692 /nfs/dbraw/zinc/01/26/92/1177012692.db2.gz UFEQHUGCCKWNJN-CYBMUJFWSA-N 2 0 269.433 1.563 10 0 CDAERP CCCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001700592771 1177029888 /nfs/dbraw/zinc/02/98/88/1177029888.db2.gz OIJSELXTNPJRMN-QKDCVEJESA-N 2 0 281.444 1.422 10 0 CDAERP CCOCCC[N@H+](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001700695460 1177080903 /nfs/dbraw/zinc/08/09/03/1177080903.db2.gz IWFVQSNWZCCERJ-UHFFFAOYSA-N 2 0 299.459 1.288 10 0 CDAERP CCC[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001700922833 1177195495 /nfs/dbraw/zinc/19/54/95/1177195495.db2.gz XEGNWEZOAVYKPJ-LBPRGKRZSA-N 2 0 255.406 1.175 10 0 CDAERP CC[N@H+](C)CCN(C(=O)C[NH+](C)C(C)C)C(C)C ZINC001700980634 1177222713 /nfs/dbraw/zinc/22/27/13/1177222713.db2.gz MZOWPNIIOIKQLK-UHFFFAOYSA-N 2 0 257.422 1.515 10 0 CDAERP CO[C@H](C)C[N@H+]1CC=C(CNC(=O)CCC[NH+](C)C)CC1 ZINC001701055444 1177258666 /nfs/dbraw/zinc/25/86/66/1177258666.db2.gz HUDAPWKGIUEZQI-CQSZACIVSA-N 2 0 297.443 1.111 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCOC ZINC001707165130 1177960526 /nfs/dbraw/zinc/96/05/26/1177960526.db2.gz LJFPAFBSFKKUIH-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)[C@H](C(=O)NCCC[N@H+](C)CC1CC1)[NH+]1CCCC1 ZINC001707423905 1178036097 /nfs/dbraw/zinc/03/60/97/1178036097.db2.gz SSRBMCTYOMSHIR-MRXNPFEDSA-N 2 0 295.471 1.955 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001713344085 1178510947 /nfs/dbraw/zinc/51/09/47/1178510947.db2.gz HTSMOXWUOKGFCU-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP O=C(N[C@H]1C[C@@H]([NH2+]CCCF)C1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001714009379 1178925517 /nfs/dbraw/zinc/92/55/17/1178925517.db2.gz HNJVPEIBOYPUAY-XGUBFFRZSA-N 2 0 297.418 1.600 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CCC2CC2)C1 ZINC001714055635 1178950208 /nfs/dbraw/zinc/95/02/08/1178950208.db2.gz FOBDJMAGSULBGR-CVEARBPZSA-N 2 0 293.455 1.709 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H]2C[NH2+]C/C=C\Cl)C1 ZINC001714353844 1179101377 /nfs/dbraw/zinc/10/13/77/1179101377.db2.gz YCFMCVDVTFMETM-VTUYONSCSA-N 2 0 299.846 1.661 10 0 CDAERP C[C@@H](C[NH2+]CC1CC1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001714824181 1179412223 /nfs/dbraw/zinc/41/22/23/1179412223.db2.gz YRWJFLQGHARIRP-GXTWGEPZSA-N 2 0 267.417 1.175 10 0 CDAERP CC/C=C\CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001714922980 1179454431 /nfs/dbraw/zinc/45/44/31/1179454431.db2.gz OQTHZUDSRMKPNW-KSLSASGISA-N 2 0 293.455 1.875 10 0 CDAERP COCCC[NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCCC1 ZINC001715104248 1179551767 /nfs/dbraw/zinc/55/17/67/1179551767.db2.gz PVLBUOABKQMIKY-UHFFFAOYSA-N 2 0 297.443 1.137 10 0 CDAERP C[C@H](C[NH2+]CCC1CCOCC1)N(C)C(=O)CC[NH+](C)C ZINC001715351738 1179637997 /nfs/dbraw/zinc/63/79/97/1179637997.db2.gz GJXBTYPRXFUAOB-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001715404079 1179658000 /nfs/dbraw/zinc/65/80/00/1179658000.db2.gz SRFLGEICZIQEPT-CHWSQXEVSA-N 2 0 255.406 1.175 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@H]2CC[NH2+]CC2CC2)C1 ZINC001715448128 1179668949 /nfs/dbraw/zinc/66/89/49/1179668949.db2.gz JJWUQVIPRKERIM-HOTGVXAUSA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCCF ZINC001715495505 1179682834 /nfs/dbraw/zinc/68/28/34/1179682834.db2.gz OPCUSMLMBSTMKB-MCIONIFRSA-N 2 0 287.423 1.417 10 0 CDAERP CC(C)=CC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001715906538 1179906692 /nfs/dbraw/zinc/90/66/92/1179906692.db2.gz FXGXWMREQJXHCF-ISZGNANSSA-N 2 0 265.401 1.166 10 0 CDAERP CC(C)COCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001715938915 1179928379 /nfs/dbraw/zinc/92/83/79/1179928379.db2.gz QTAMHJYFPRPTRP-HUUCEWRRSA-N 2 0 299.459 1.238 10 0 CDAERP C[C@H](C[NH2+]CCCC1CCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001715961598 1179943488 /nfs/dbraw/zinc/94/34/88/1179943488.db2.gz PLTJZGBZKDRGIK-HIFRSBDPSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@H](CC[NH2+]CC1CC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001716188173 1180089174 /nfs/dbraw/zinc/08/91/74/1180089174.db2.gz YKXACDAMWBKNQQ-TZMCWYRMSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH2+]CC1CC1)C1CC1 ZINC001716632123 1180316436 /nfs/dbraw/zinc/31/64/36/1180316436.db2.gz VBUOGQQKCUBSEQ-AWEZNQCLSA-N 2 0 267.417 1.221 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001716686113 1180370167 /nfs/dbraw/zinc/37/01/67/1180370167.db2.gz XYUDSMQSYXGJJT-UHFFFAOYSA-N 2 0 293.455 1.901 10 0 CDAERP C[C@@H](CCC[NH2+]CCCF)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001717669613 1180785862 /nfs/dbraw/zinc/78/58/62/1180785862.db2.gz YGWAFVGDPXPVML-BFHYXJOUSA-N 2 0 287.423 1.561 10 0 CDAERP C[NH2+]CCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2[NH2+]1 ZINC000249855150 1181139165 /nfs/dbraw/zinc/13/91/65/1181139165.db2.gz QCOVTTFSVZZSNT-MCIONIFRSA-N 2 0 267.417 1.365 10 0 CDAERP CN(CCC[NH2+]CCF)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001723053082 1181514553 /nfs/dbraw/zinc/51/45/53/1181514553.db2.gz UPSVLBPJLBDWJF-UONOGXRCSA-N 2 0 285.407 1.411 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001723451104 1181565100 /nfs/dbraw/zinc/56/51/00/1181565100.db2.gz NYEPQUAGYPDHSM-LLYBFZRZSA-N 2 0 293.455 1.875 10 0 CDAERP CCC[N@@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001723741069 1181598339 /nfs/dbraw/zinc/59/83/39/1181598339.db2.gz IDBYWGMSQPAQDW-HNNXBMFYSA-N 2 0 267.417 1.273 10 0 CDAERP CCCC[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001724173223 1181648124 /nfs/dbraw/zinc/64/81/24/1181648124.db2.gz JPCPQHDTOWZCMA-CQSZACIVSA-N 2 0 255.406 1.319 10 0 CDAERP CCC[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001724613801 1181704047 /nfs/dbraw/zinc/70/40/47/1181704047.db2.gz ZLHBWGCJLKEFSP-KBPBESRZSA-N 2 0 279.428 1.176 10 0 CDAERP CCC[NH2+]CC1CC(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001725071141 1181844074 /nfs/dbraw/zinc/84/40/74/1181844074.db2.gz USPWFHSNYHOQFD-UHFFFAOYSA-N 2 0 267.417 1.223 10 0 CDAERP CCC[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001731259634 1182279576 /nfs/dbraw/zinc/27/95/76/1182279576.db2.gz ACHUIHZURJTEBY-HNNXBMFYSA-N 2 0 283.460 1.957 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C)C[C@H](C)O ZINC001731307052 1182307295 /nfs/dbraw/zinc/30/72/95/1182307295.db2.gz RWMKHNVFPIFWID-GJZGRUSLSA-N 2 0 299.459 1.068 10 0 CDAERP COCCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001731347094 1182332083 /nfs/dbraw/zinc/33/20/83/1182332083.db2.gz UZWYTJIATQFELG-HNNXBMFYSA-N 2 0 297.443 1.040 10 0 CDAERP CCCCC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001731410283 1182369847 /nfs/dbraw/zinc/36/98/47/1182369847.db2.gz DNZKKUNSQJRAHC-LSDHHAIUSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)=CC[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001731411586 1182370745 /nfs/dbraw/zinc/37/07/45/1182370745.db2.gz VOMCONYHZIBDSJ-HNNXBMFYSA-N 2 0 279.428 1.533 10 0 CDAERP CN(CC[NH2+]CCC1CCCC1)C(=O)CC[NH+](C)C ZINC001731950058 1182694672 /nfs/dbraw/zinc/69/46/72/1182694672.db2.gz OULSICWJRKYWRC-UHFFFAOYSA-N 2 0 269.433 1.566 10 0 CDAERP CCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)C(C)C ZINC001732150648 1182809354 /nfs/dbraw/zinc/80/93/54/1182809354.db2.gz GXFIIGLJSGWMRK-GJZGRUSLSA-N 2 0 281.444 1.802 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC(C)C ZINC001732196268 1182849194 /nfs/dbraw/zinc/84/91/94/1182849194.db2.gz VCONZSNJCDGZNB-OLZOCXBDSA-N 2 0 255.406 1.221 10 0 CDAERP CCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001732199856 1182853963 /nfs/dbraw/zinc/85/39/63/1182853963.db2.gz SBYSPIHQFWJERV-KBPBESRZSA-N 2 0 269.433 1.754 10 0 CDAERP CC/C=C/CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001732336011 1182912122 /nfs/dbraw/zinc/91/21/22/1182912122.db2.gz BXPXJOADWQHDKJ-ICWYTKJFSA-N 2 0 281.444 1.779 10 0 CDAERP CC[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CCCC1 ZINC001732399776 1182945333 /nfs/dbraw/zinc/94/53/33/1182945333.db2.gz PFTNMZARPXETFC-UHFFFAOYSA-N 2 0 265.401 1.121 10 0 CDAERP C[C@@H](C[NH2+]CCO)N(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001732428962 1182960941 /nfs/dbraw/zinc/96/09/41/1182960941.db2.gz NVDZSXZUCHMRFH-ZDUSSCGKSA-N 2 0 299.459 1.068 10 0 CDAERP CC[NH2+]C[C@H](CC(C)C)NC(=O)C[N@H+](C)C(C)C ZINC001732471068 1182981885 /nfs/dbraw/zinc/98/18/85/1182981885.db2.gz GZBHIZBCBVMJAU-ZDUSSCGKSA-N 2 0 257.422 1.467 10 0 CDAERP CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001732620273 1183051136 /nfs/dbraw/zinc/05/11/36/1183051136.db2.gz NVDYDGYUHOMZCG-UONOGXRCSA-N 2 0 269.433 1.613 10 0 CDAERP C[NH+]1CCC(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]CCF)CC1 ZINC001732623305 1183052958 /nfs/dbraw/zinc/05/29/58/1183052958.db2.gz YTPUCRWIMRCRRV-KGLIPLIRSA-N 2 0 285.407 1.172 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC/C=C/C[NH2+]C/C=C\Cl ZINC001732860664 1183162462 /nfs/dbraw/zinc/16/24/62/1183162462.db2.gz PFOKKQDZDXJSRF-TXKHZTAZSA-N 2 0 299.846 1.875 10 0 CDAERP C[C@H](C(=O)N[C@@H](C)C[NH2+]CCF)[NH+]1CCCCCC1 ZINC001733012708 1183237811 /nfs/dbraw/zinc/23/78/11/1183237811.db2.gz BYBFJZGWLXIAMZ-QWHCGFSZSA-N 2 0 273.396 1.315 10 0 CDAERP CN(CCC[NH2+]CC1CCC1)C(=O)C12CCC[NH+]1CCC2 ZINC001733111015 1183294461 /nfs/dbraw/zinc/29/44/61/1183294461.db2.gz SUNIWIOVIRFXNX-UHFFFAOYSA-N 2 0 293.455 1.853 10 0 CDAERP CCC[NH2+]C[C@]1(C)CCN(C(=O)CCC[NH+](C)C)C1 ZINC001733433480 1183432629 /nfs/dbraw/zinc/43/26/29/1183432629.db2.gz AECNMJQNJOXRQN-HNNXBMFYSA-N 2 0 269.433 1.566 10 0 CDAERP C[C@H](CCC[NH2+]CCCF)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001734234314 1183700515 /nfs/dbraw/zinc/70/05/15/1183700515.db2.gz QBGSYLXNKHMCBK-HIFRSBDPSA-N 2 0 299.434 1.562 10 0 CDAERP CC[NH2+][C@@H](C)CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001734330740 1183735643 /nfs/dbraw/zinc/73/56/43/1183735643.db2.gz QRAPNTAZWPWJKW-STQMWFEESA-N 2 0 255.406 1.317 10 0 CDAERP C[C@H](CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CCCF ZINC001734341900 1183739399 /nfs/dbraw/zinc/73/93/99/1183739399.db2.gz AFRXXPJDSXTVOI-QWHCGFSZSA-N 2 0 273.396 1.124 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001734397973 1183763036 /nfs/dbraw/zinc/76/30/36/1183763036.db2.gz CTBPJDPZKFYOCX-KGLIPLIRSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]CCCF)C(C)(C)C2)CC[N@@H+]1C ZINC001734498603 1183800866 /nfs/dbraw/zinc/80/08/66/1183800866.db2.gz ZEQCDCYZMKXIGP-MGPQQGTHSA-N 2 0 299.434 1.513 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@H]1CC[C@@H](C)C[C@@H]1n1cncn1 ZINC000423463166 1186727532 /nfs/dbraw/zinc/72/75/32/1186727532.db2.gz LFCSBRFKJWDJBB-KVSVUVNWSA-N 2 0 251.378 1.333 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000868366776 823890364 /nfs/dbraw/zinc/89/03/64/823890364.db2.gz WUYOGYPINHWZIW-VQCLRJIVSA-N 2 0 298.475 1.889 10 0 CDAERP CC(C)(C)[NH2+]CCCNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000848994158 827508261 /nfs/dbraw/zinc/50/82/61/827508261.db2.gz YUFJYXWGHOXCLW-NSHDSACASA-N 2 0 256.394 1.058 10 0 CDAERP Cc1ccc(CN2CC[NH2+]CC[NH2+]CC2)cc1F ZINC000923460332 828335996 /nfs/dbraw/zinc/33/59/96/828335996.db2.gz MNRNOUYXJNEEDZ-UHFFFAOYSA-N 2 0 251.349 1.129 10 0 CDAERP C[C@@]1(CN2CC[N@@H+]3CCCC[C@@H]3C2)CCC[NH2+]C1 ZINC000094440654 828339626 /nfs/dbraw/zinc/33/96/26/828339626.db2.gz GBHHVFYMGGHMOU-HUUCEWRRSA-N 2 0 251.418 1.546 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1ccns1 ZINC000926837098 828352395 /nfs/dbraw/zinc/35/23/95/828352395.db2.gz MJOGKWVXOKBBIS-QYJAPNMZSA-N 2 0 251.399 1.615 10 0 CDAERP C[C@@H]1[C@H](C)SCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923315051 828355650 /nfs/dbraw/zinc/35/56/50/828355650.db2.gz CSRPQWOVPPOYIB-WOPDTQHZSA-N 2 0 256.415 1.191 10 0 CDAERP COCC[N@@H+](Cc1ccccc1)C[C@@H]1C[NH2+]C[C@H]1C ZINC000384360377 822671576 /nfs/dbraw/zinc/67/15/76/822671576.db2.gz LYSMSGJLYYNGJG-ZBFHGGJFSA-N 2 0 262.397 1.991 10 0 CDAERP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1 ZINC000925858574 822671727 /nfs/dbraw/zinc/67/17/27/822671727.db2.gz YOVHWBURBDRALR-FRRDWIJNSA-N 2 0 266.385 1.450 10 0 CDAERP OCCCN1CCC[C@@H]1C[NH2+][C@H](C1CCC1)[C@@H]1CCOC1 ZINC000926501295 822711824 /nfs/dbraw/zinc/71/18/24/822711824.db2.gz JMMIUPGWTRYQAS-BRWVUGGUSA-N 2 0 296.455 1.628 10 0 CDAERP FC1(F)C[C@]12CC[N@H+](C[C@@H]1CC3(C[NH2+]C3)CO1)C2 ZINC000923393856 822732482 /nfs/dbraw/zinc/73/24/82/822732482.db2.gz ZLQDGZJXROFPLN-JQWIXIFHSA-N 2 0 258.312 1.096 10 0 CDAERP CCc1onc(C)c1C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923443674 828525214 /nfs/dbraw/zinc/52/52/14/828525214.db2.gz UOHBXJHURFMFLK-ZDUSSCGKSA-N 2 0 293.411 1.875 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925796456 828534405 /nfs/dbraw/zinc/53/44/05/828534405.db2.gz RKAHCKIPNKDRCM-ZSAUSMIDSA-N 3 0 265.445 1.598 10 0 CDAERP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC000925825474 823804251 /nfs/dbraw/zinc/80/42/51/823804251.db2.gz FAYGLCAWERMPQT-KBPBESRZSA-N 2 0 282.428 1.558 10 0 CDAERP CCCC[C@H](C)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925855871 823834256 /nfs/dbraw/zinc/83/42/56/823834256.db2.gz OSBYGEYTMJHMPU-STQMWFEESA-N 2 0 268.401 1.840 10 0 CDAERP COC[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)C1CC1 ZINC000925846929 823851700 /nfs/dbraw/zinc/85/17/00/823851700.db2.gz YJKHDSAOXHKPBH-OAHLLOKOSA-N 2 0 269.433 1.077 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)C1 ZINC000870853206 823858315 /nfs/dbraw/zinc/85/83/15/823858315.db2.gz VMXGLTSRKCFCQF-JTTNIQEDSA-N 2 0 277.412 1.104 10 0 CDAERP COCCN(C)CC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925575959 823866447 /nfs/dbraw/zinc/86/64/47/823866447.db2.gz HWAYCKAVUKPRAH-HOTGVXAUSA-N 2 0 283.460 1.323 10 0 CDAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@@H]3CCC4(CCC4)O3)C[C@H]12 ZINC000712451355 823897251 /nfs/dbraw/zinc/89/72/51/823897251.db2.gz JWIMEYIEQSJWGD-ZOBORPQBSA-N 2 0 250.386 1.757 10 0 CDAERP [NH3+]CCCCCCNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000831291096 823963534 /nfs/dbraw/zinc/96/35/34/823963534.db2.gz JCLHLHHEPHVQKF-OAHLLOKOSA-N 2 0 282.432 1.291 10 0 CDAERP COCCOCC[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000924781648 824004071 /nfs/dbraw/zinc/00/40/71/824004071.db2.gz WMMDVPLBHJXHPJ-KGLIPLIRSA-N 2 0 256.390 1.256 10 0 CDAERP C[C@H]1C[C@@H](N(C)C(=O)[C@H]2CC[C@H]([NH3+])CC2)CC[N@@H+]1C ZINC000870892724 824048167 /nfs/dbraw/zinc/04/81/67/824048167.db2.gz KCNAMUJXMNEMBR-XUXIUFHCSA-N 2 0 267.417 1.445 10 0 CDAERP C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000864055090 824061373 /nfs/dbraw/zinc/06/13/73/824061373.db2.gz IAMAWJQZCDHCFI-HZSPNIEDSA-N 2 0 273.424 1.903 10 0 CDAERP CCN1CC[NH+](CCCC[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000925545258 824085282 /nfs/dbraw/zinc/08/52/82/824085282.db2.gz HTHOBVSOWBOCLB-CVEARBPZSA-N 3 0 294.487 1.264 10 0 CDAERP COCCC[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925784806 828609431 /nfs/dbraw/zinc/60/94/31/828609431.db2.gz SJOUNMFDMNVENP-MNOVXSKESA-N 2 0 250.333 1.636 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@H]2CCCS(=O)(=O)C2)C1 ZINC000925670948 824099280 /nfs/dbraw/zinc/09/92/80/824099280.db2.gz BEBUTYVTNIIUOV-JHJVBQTASA-N 2 0 288.457 1.307 10 0 CDAERP Cc1noc(CCC[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)n1 ZINC000923451529 824104786 /nfs/dbraw/zinc/10/47/86/824104786.db2.gz MDAAZRGTSPVWLB-CYBMUJFWSA-N 2 0 294.399 1.140 10 0 CDAERP C[C@H]1[NH2+]CCC[C@@H]1C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712608655 824139291 /nfs/dbraw/zinc/13/92/91/824139291.db2.gz KTHZIVDDRIDWIK-OLZOCXBDSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@H](C1CC1)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000782186478 824153972 /nfs/dbraw/zinc/15/39/72/824153972.db2.gz KGFMHQRGCXDJEW-IIAWOOMASA-N 2 0 265.445 1.743 10 0 CDAERP COC(=O)c1cc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])n(C)c1C ZINC000925769300 824162267 /nfs/dbraw/zinc/16/22/67/824162267.db2.gz OHMMDVWCPJXDIR-WFASDCNBSA-N 2 0 293.411 1.727 10 0 CDAERP COC(=O)CC[C@@H]1CCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000872153660 824214545 /nfs/dbraw/zinc/21/45/45/824214545.db2.gz GFFNGPTZUSUBTB-KBPBESRZSA-N 2 0 296.411 1.173 10 0 CDAERP C[C@H]1C[N@H+](CCOCCOc2ccccc2)CC[C@H]1C[NH3+] ZINC000923499992 824275191 /nfs/dbraw/zinc/27/51/91/824275191.db2.gz PUAQVKRIZXNHMZ-HOTGVXAUSA-N 2 0 292.423 1.999 10 0 CDAERP COC(=O)/C(C)=C\C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000700734816 824282000 /nfs/dbraw/zinc/28/20/00/824282000.db2.gz VZMVENGTTSFMKT-ACAGNQJTSA-N 2 0 268.401 1.769 10 0 CDAERP CC(C)CN(C(=O)[C@@H](O)c1cnc[nH]1)C1CC[NH+](C)CC1 ZINC000865811006 824288573 /nfs/dbraw/zinc/28/85/73/824288573.db2.gz YMOSORZOOQQTMJ-AWEZNQCLSA-N 2 0 294.399 1.022 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](N[C@H]2C[N@@H+]3C[C@@H]2CCC3)C1 ZINC000925223496 824324009 /nfs/dbraw/zinc/32/40/09/824324009.db2.gz VZYOCOXYSCRCKR-XQLPTFJDSA-N 2 0 251.418 1.543 10 0 CDAERP CCOCCOCC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925873999 824348035 /nfs/dbraw/zinc/34/80/35/824348035.db2.gz FWEZHCPKSSUFTR-RDBSUJKOSA-N 2 0 270.417 1.406 10 0 CDAERP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCCc3cn[nH]c32)CC1 ZINC000857846525 824416487 /nfs/dbraw/zinc/41/64/87/824416487.db2.gz CENJDBRGBPXXOP-DZGCQCFKSA-N 2 0 291.443 1.403 10 0 CDAERP C[C@H](C(=O)NC(C)(C)C)[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714487468 824418926 /nfs/dbraw/zinc/41/89/26/824418926.db2.gz SDQSXLIDRPNXOH-GFCCVEGCSA-N 2 0 283.460 1.987 10 0 CDAERP O=C(CCC12CC(C1)C[NH2+]2)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000870853290 824443950 /nfs/dbraw/zinc/44/39/50/824443950.db2.gz WTPKBVUPLCEJBK-GNHJJJEISA-N 2 0 291.439 1.509 10 0 CDAERP C1=C(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC[NH2+]C1 ZINC000925699676 824570878 /nfs/dbraw/zinc/57/08/78/824570878.db2.gz PJHYMEONDLXNJB-HZPDHXFCSA-N 2 0 263.429 1.664 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)C(C)(C)[C@H]([NH3+])C(C)C ZINC000713026679 824693126 /nfs/dbraw/zinc/69/31/26/824693126.db2.gz ZGYLGLJBHDPAKR-QWHCGFSZSA-N 2 0 271.449 1.842 10 0 CDAERP C[C@@H]1OC[C@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)[C@@H]1C ZINC000924962073 824767871 /nfs/dbraw/zinc/76/78/71/824767871.db2.gz ZFZADRUVJCILKQ-YCPHGPKFSA-N 2 0 283.460 1.273 10 0 CDAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CN(C2CC2)C(=O)O1 ZINC000848722380 824805742 /nfs/dbraw/zinc/80/57/42/824805742.db2.gz SRBKJHCAUNCRQD-NFAWXSAZSA-N 2 0 295.427 1.870 10 0 CDAERP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3C[C@@]34CCOC4)C[C@@H]2C1 ZINC000931442689 824830587 /nfs/dbraw/zinc/83/05/87/824830587.db2.gz LVUADUNVANQGBD-CBBWQLFWSA-N 2 0 250.386 1.297 10 0 CDAERP CC(=O)NCCCCC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000930823343 824832633 /nfs/dbraw/zinc/83/26/33/824832633.db2.gz IMSBPAAALOXEFE-UHFFFAOYSA-N 2 0 297.443 1.089 10 0 CDAERP COCC[N@@H+](C/C(C)=C/C(=O)OC)CC1CC[NH+](C)CC1 ZINC000931379603 824841568 /nfs/dbraw/zinc/84/15/68/824841568.db2.gz BHVPEWUIQPOHMF-SDNWHVSQSA-N 2 0 298.427 1.396 10 0 CDAERP CCn1nnc(C)c1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923489837 824851745 /nfs/dbraw/zinc/85/17/45/824851745.db2.gz MBAKULPAEDIEKQ-JQWIXIFHSA-N 2 0 251.378 1.023 10 0 CDAERP CCOC(=O)[C@]1(F)C[N@H+](CC2CC[NH2+]CC2)CC12CCC2 ZINC000852733900 824870855 /nfs/dbraw/zinc/87/08/55/824870855.db2.gz ASDYOYUAPXILCD-MRXNPFEDSA-N 2 0 298.402 1.743 10 0 CDAERP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2ccoc2)CC1 ZINC000062103582 824894705 /nfs/dbraw/zinc/89/47/05/824894705.db2.gz SNWREQYTMWBTNF-UHFFFAOYSA-N 2 0 251.374 1.395 10 0 CDAERP [NH3+]C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)C[C@@H]1C(F)(F)F ZINC000872152391 824895515 /nfs/dbraw/zinc/89/55/15/824895515.db2.gz QOWARTVFSPZFQF-TUAOUCFPSA-N 3 0 279.350 1.445 10 0 CDAERP C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000870867525 828714305 /nfs/dbraw/zinc/71/43/05/828714305.db2.gz PCFGIFJHMVTCHG-AIANPOQGSA-N 2 0 293.455 1.742 10 0 CDAERP COCCC[NH+]1CCC([NH2+]C2[C@H](C)COC[C@H]2C)CC1 ZINC000924912198 828715109 /nfs/dbraw/zinc/71/51/09/828715109.db2.gz LUUUKVBITADYQX-ZIAGYGMSSA-N 2 0 284.444 1.748 10 0 CDAERP C[C@H](C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C(C)(C)C ZINC000866711144 824993070 /nfs/dbraw/zinc/99/30/70/824993070.db2.gz CTUGQCQXHRFCIV-SYQHCUMBSA-N 2 0 295.427 1.536 10 0 CDAERP CC1(C)[C@H]([NH3+])C[C@H]1c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871801364 825007564 /nfs/dbraw/zinc/00/75/64/825007564.db2.gz RFKVSBPSIYEPLA-OLSMOAAXSA-N 2 0 276.384 1.908 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CC2(S(C)(=O)=O)CC2)C1 ZINC000925664332 828729567 /nfs/dbraw/zinc/72/95/67/828729567.db2.gz YBQYSEOKAPNCEP-GHMZBOCLSA-N 2 0 274.430 1.059 10 0 CDAERP C[C@H](CN[C@@H]1C[C@H]([NH3+])C12CCC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000925545845 825068404 /nfs/dbraw/zinc/06/84/04/825068404.db2.gz CTVAISRIEDAIAK-APIJFGDWSA-N 2 0 265.445 1.966 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925540433 825086049 /nfs/dbraw/zinc/08/60/49/825086049.db2.gz GJFDLSYOOIJBQW-RDBSUJKOSA-N 3 0 269.433 1.203 10 0 CDAERP C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2)CC[C@@H]1C[NH3+] ZINC000923498969 825104845 /nfs/dbraw/zinc/10/48/45/825104845.db2.gz JKZCIVSUMVKORN-KFWWJZLASA-N 2 0 278.396 1.343 10 0 CDAERP CC(=O)N1CCC(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925499079 825176326 /nfs/dbraw/zinc/17/63/26/825176326.db2.gz MLRDZUADFSFEBP-HUUCEWRRSA-N 2 0 281.444 1.741 10 0 CDAERP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2nn(C)cc2C)CC1 ZINC000930664156 825209030 /nfs/dbraw/zinc/20/90/30/825209030.db2.gz SDILLNRTQPJRQV-UHFFFAOYSA-N 2 0 293.459 1.234 10 0 CDAERP COc1ccccc1OCC[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000251844148 825242611 /nfs/dbraw/zinc/24/26/11/825242611.db2.gz QTQZTNPUZNQWCX-KGLIPLIRSA-N 2 0 278.396 1.991 10 0 CDAERP C[C@H]([NH2+]CCOCCC[NH3+])c1ccc(Cl)nc1 ZINC000863546655 825252247 /nfs/dbraw/zinc/25/22/47/825252247.db2.gz MJJNWPFHZWMZGC-JTQLQIEISA-N 2 0 257.765 1.751 10 0 CDAERP C[N@H+](CCN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C1CCCCC1 ZINC000925482736 828758759 /nfs/dbraw/zinc/75/87/59/828758759.db2.gz UCKJQCFPIZBNGG-AYIQCDPPSA-N 2 0 277.456 1.837 10 0 CDAERP CC1(C)[C@@H]([NH2+]C[C@@H](O)Cc2ccccc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925499679 825393387 /nfs/dbraw/zinc/39/33/87/825393387.db2.gz SIMJHWBJHDELDR-YVSFHVDLSA-N 2 0 288.435 1.956 10 0 CDAERP COCCC[NH+]1CCC(N[C@@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000925578337 825452697 /nfs/dbraw/zinc/45/26/97/825452697.db2.gz VGNYYFOWNADYQA-HUUCEWRRSA-N 2 0 281.444 1.347 10 0 CDAERP C[C@H](C[NH2+]C1CCC(C)([NH+](C)C)CC1)S(C)(=O)=O ZINC000715237113 825465668 /nfs/dbraw/zinc/46/56/68/825465668.db2.gz UWRAYTKLLXEZTA-PNESKVBLSA-N 2 0 276.446 1.272 10 0 CDAERP CCO[C@H](CN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+])C[NH+](C)C ZINC000925841948 828802067 /nfs/dbraw/zinc/80/20/67/828802067.db2.gz VJJQHJAEPRNDAU-OIISXLGYSA-N 2 0 293.455 1.501 10 0 CDAERP [NH3+]Cc1ccc(-c2noc([C@H]3[C@@H](C[NH3+])C3(F)F)n2)cc1 ZINC000871788108 825591926 /nfs/dbraw/zinc/59/19/26/825591926.db2.gz JHMHLUCPWKMTEC-NXEZZACHSA-N 2 0 280.278 1.503 10 0 CDAERP COC(=O)N1CCC([NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000863482863 828805017 /nfs/dbraw/zinc/80/50/17/828805017.db2.gz MHSXFLREXVXIFZ-GFCCVEGCSA-N 2 0 267.373 1.091 10 0 CDAERP C[C@H](CC[NH+](C)C)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848927734 828805102 /nfs/dbraw/zinc/80/51/02/828805102.db2.gz MDPLOQMYLCVTQZ-QLFBSQMISA-N 2 0 253.434 1.933 10 0 CDAERP OCC1(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CCC1 ZINC000925647922 828805164 /nfs/dbraw/zinc/80/51/64/828805164.db2.gz KJBKRUQGZPSSEI-CABCVRRESA-N 2 0 266.429 1.907 10 0 CDAERP CC[C@@H]1CCN(C(=[NH2+])NCC[C@H]2CCC[N@H+](C)C2)C1 ZINC000864467552 828808242 /nfs/dbraw/zinc/80/82/42/828808242.db2.gz ZADXIZDXAGMLJI-ZIAGYGMSSA-N 2 0 266.433 1.975 10 0 CDAERP O=C1CC[C@H]2C[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[C@H]2N1 ZINC000719277119 825742655 /nfs/dbraw/zinc/74/26/55/825742655.db2.gz HEANLLZGLUKCEE-SCXOTVEISA-N 2 0 277.412 1.118 10 0 CDAERP C[C@@H]1C[C@@H](NC[C@@]2(C(F)(F)F)CCCN2)CC[N@@H+]1C ZINC000925854852 825766219 /nfs/dbraw/zinc/76/62/19/825766219.db2.gz NBTHVGVYXBPIKJ-GRYCIOLGSA-N 2 0 279.350 1.743 10 0 CDAERP [NH3+]Cc1ccc2c(c1)CCCN2C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000843343491 825787272 /nfs/dbraw/zinc/78/72/72/825787272.db2.gz VILRQISNRZHBPS-BETUJISGSA-N 2 0 259.353 1.162 10 0 CDAERP CNC(=O)c1cccc(C[N@H+](C)CCCCCC[NH3+])c1 ZINC000872155346 825800092 /nfs/dbraw/zinc/80/00/92/825800092.db2.gz JUVGTTMTNHJRPQ-UHFFFAOYSA-N 2 0 277.412 1.997 10 0 CDAERP Cc1cccc(CNC(=O)C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923496142 825807761 /nfs/dbraw/zinc/80/77/61/825807761.db2.gz HDGAJFVHCGUWMC-GOEBONIOSA-N 2 0 289.423 1.528 10 0 CDAERP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3CCC(C)(C)O3)C[C@]2(C)C1 ZINC000933732602 825814669 /nfs/dbraw/zinc/81/46/69/825814669.db2.gz UIQDPKPHWITSPI-IPYPFGDCSA-N 2 0 252.402 1.828 10 0 CDAERP CC[C@@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000925836398 825849591 /nfs/dbraw/zinc/84/95/91/825849591.db2.gz KBISNTXPVQFVOE-GRYCIOLGSA-N 2 0 281.366 1.989 10 0 CDAERP CC(C)C[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000796723188 825922236 /nfs/dbraw/zinc/92/22/36/825922236.db2.gz KNRKFTNHFPKUTQ-BYNSBNAKSA-N 2 0 254.418 1.856 10 0 CDAERP C[C@H](O)CCC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925658838 825894822 /nfs/dbraw/zinc/89/48/22/825894822.db2.gz VWZQQIHFQXZDPE-CFVMTHIKSA-N 2 0 254.418 1.905 10 0 CDAERP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857866518 825968158 /nfs/dbraw/zinc/96/81/58/825968158.db2.gz SXIVWFRLAIQUSV-DZGCQCFKSA-N 2 0 291.443 1.403 10 0 CDAERP C[C@@H]1CCN[C@@H](C)[C@@H]1[NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923371250 825974715 /nfs/dbraw/zinc/97/47/15/825974715.db2.gz WNEYKMXFNSEXAG-KNABHZPTSA-N 2 0 265.445 1.883 10 0 CDAERP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C[C@@H]1CCCN1CCCO ZINC000926501303 826011881 /nfs/dbraw/zinc/01/18/81/826011881.db2.gz JNUGYKQQPZRLRI-LJISPDSOSA-N 2 0 270.417 1.094 10 0 CDAERP CC1(C)[NH2+]CC[C@H]1NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000925725470 826077461 /nfs/dbraw/zinc/07/74/61/826077461.db2.gz LAXQDVVJEWRFGZ-HUUCEWRRSA-N 2 0 261.413 1.677 10 0 CDAERP Cc1cc(CC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)nn1C ZINC000922685783 826108421 /nfs/dbraw/zinc/10/84/21/826108421.db2.gz NVWFVPLQUFPMOU-UHFFFAOYSA-N 2 0 296.378 1.642 10 0 CDAERP CCc1onc(C)c1C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000925890786 826159157 /nfs/dbraw/zinc/15/91/57/826159157.db2.gz RJCLYNNHILAQOX-ZWKOPEQDSA-N 2 0 267.373 1.387 10 0 CDAERP COC(=O)c1cc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])n(C)c1C ZINC000925769299 826180515 /nfs/dbraw/zinc/18/05/15/826180515.db2.gz OHMMDVWCPJXDIR-SWLSCSKDSA-N 2 0 293.411 1.727 10 0 CDAERP CC1(C)[C@@H]([NH3+])c2ccccc2N1C(=O)CC[NH2+]C1CC1 ZINC000867987314 826196203 /nfs/dbraw/zinc/19/62/03/826196203.db2.gz KMUMYDTZIOACJD-HNNXBMFYSA-N 2 0 273.380 1.954 10 0 CDAERP CCC[NH+]1CCC([N@H+](C)C[C@@H]2C[C@H]2C(=O)OCC)CC1 ZINC000929778102 826250891 /nfs/dbraw/zinc/25/08/91/826250891.db2.gz QCIVARWXIHOQAP-DZGCQCFKSA-N 2 0 282.428 1.992 10 0 CDAERP [NH3+]Cc1ccc2c(c1)CCCN2C(=O)[C@]1(F)CC[NH2+]C1 ZINC000841848569 826296901 /nfs/dbraw/zinc/29/69/01/826296901.db2.gz MQAFHYKWHLDBIH-HNNXBMFYSA-N 2 0 277.343 1.126 10 0 CDAERP Cn1cncc1CCC[NH2+][C@@H](CCO)C1CCCC1 ZINC000725068231 826314343 /nfs/dbraw/zinc/31/43/43/826314343.db2.gz NRQVYESWMSLWTK-HNNXBMFYSA-N 2 0 265.401 1.884 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC1 ZINC000713224644 826325712 /nfs/dbraw/zinc/32/57/12/826325712.db2.gz YBXMVBYXPCPKON-WWGRRREGSA-N 2 0 279.428 1.495 10 0 CDAERP C(COC1CCOCC1)[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925877999 826334722 /nfs/dbraw/zinc/33/47/22/826334722.db2.gz OPRVWABEGWKSRY-DLBZAZTESA-N 2 0 296.455 1.940 10 0 CDAERP CC[NH+](CC)C[C@H]1CCN(CCC[NH2+]C2CC2)C1 ZINC000923327373 826341711 /nfs/dbraw/zinc/34/17/11/826341711.db2.gz SCYDHAKMVJUHAG-CQSZACIVSA-N 2 0 253.434 1.792 10 0 CDAERP CC(=O)N1CC[C@@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925721734 826369221 /nfs/dbraw/zinc/36/92/21/826369221.db2.gz QGHYSVZYRVFSBM-BZUAXINKSA-N 2 0 279.428 1.365 10 0 CDAERP C[C@](O)(C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)C(F)(F)F ZINC000925628736 826375724 /nfs/dbraw/zinc/37/57/24/826375724.db2.gz HYHOXZYLNQVNCS-YWVKMMECSA-N 2 0 268.323 1.795 10 0 CDAERP C[C@@H]1C[N@H+](CCCN[C@@H]2CC[NH2+]C23CCC3)CCCO1 ZINC000925653338 826376827 /nfs/dbraw/zinc/37/68/27/826376827.db2.gz XEZRAYGTJWJQLC-HUUCEWRRSA-N 2 0 281.444 1.362 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000925877529 826421285 /nfs/dbraw/zinc/42/12/85/826421285.db2.gz RKJNMLXCVQRECX-WDEREUQCSA-N 2 0 279.350 1.730 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@H]1CC[NH3+] ZINC000723895312 826434780 /nfs/dbraw/zinc/43/47/80/826434780.db2.gz UQEBCRDFALUCSD-MGPQQGTHSA-N 2 0 267.417 1.162 10 0 CDAERP COC(=O)N1CCC(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925670548 826461353 /nfs/dbraw/zinc/46/13/53/826461353.db2.gz MBCSGZGGKABPEI-KBPBESRZSA-N 2 0 297.443 1.960 10 0 CDAERP O=C1OCC[C@@H]1CCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925730088 826471844 /nfs/dbraw/zinc/47/18/44/826471844.db2.gz MZMXQUPVTUUXHJ-QWHCGFSZSA-N 2 0 266.385 1.594 10 0 CDAERP O=C(CC[C@@H]1CCC[NH2+]C1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000857005121 826539838 /nfs/dbraw/zinc/53/98/38/826539838.db2.gz WDVPSLSPXZKSPN-GOEBONIOSA-N 2 0 279.428 1.368 10 0 CDAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCCCC[NH3+] ZINC000094459810 826819696 /nfs/dbraw/zinc/81/96/96/826819696.db2.gz RAZCWPLYDRBLKJ-QWHCGFSZSA-N 2 0 253.390 1.201 10 0 CDAERP FC1(F)C[C@]12CC[N@H+](C[C@H]1CC3(C[NH2+]C3)CO1)C2 ZINC000923393857 826841670 /nfs/dbraw/zinc/84/16/70/826841670.db2.gz ZLQDGZJXROFPLN-PWSUYJOCSA-N 2 0 258.312 1.096 10 0 CDAERP O[C@@H](C[NH2+][C@H]1CCCSC1)C[NH+]1CCCCC1 ZINC000380043267 826846673 /nfs/dbraw/zinc/84/66/73/826846673.db2.gz JYCKPKNGMVRNOM-STQMWFEESA-N 2 0 258.431 1.318 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCOC[C@H]2C(C)C)CC1 ZINC000924671278 826857351 /nfs/dbraw/zinc/85/73/51/826857351.db2.gz OZDLOHWFDOHCED-IKGGRYGDSA-N 2 0 297.487 1.663 10 0 CDAERP COC[C@H](O)CC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925626829 826862390 /nfs/dbraw/zinc/86/23/90/826862390.db2.gz RTJAJODNMYBEMC-QLFBSQMISA-N 2 0 270.417 1.142 10 0 CDAERP C(C[NH2+][C@H]1CC[NH2+]C12CCCC2)COC[C@@H]1CCOC1 ZINC000925522680 826884412 /nfs/dbraw/zinc/88/44/12/826884412.db2.gz OODPCHVXPDUSCB-GJZGRUSLSA-N 2 0 282.428 1.694 10 0 CDAERP Cc1n[nH]c(CC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)n1 ZINC000925633842 826888699 /nfs/dbraw/zinc/88/86/99/826888699.db2.gz ZIXHOOPQGNZDOQ-ZIAGYGMSSA-N 2 0 277.416 1.414 10 0 CDAERP O=C(CC[NH+]1CCC(C[NH+]2CCCC2)CC1)N1CCCC1 ZINC000838792243 826895405 /nfs/dbraw/zinc/89/54/05/826895405.db2.gz GPNCFMRABBDCBL-UHFFFAOYSA-N 2 0 293.455 1.807 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cccnc1-n1ccnc1 ZINC000925538064 826993391 /nfs/dbraw/zinc/99/33/91/826993391.db2.gz QMOHLXMQHLKMQZ-YPXDRJKUSA-N 2 0 297.406 1.873 10 0 CDAERP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000872145672 827020286 /nfs/dbraw/zinc/02/02/86/827020286.db2.gz WFYAYMIEKDRTMM-RFGFWPKPSA-N 2 0 252.402 1.922 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCCCC[NH3+])[C@@H]2CCC[C@@H]21 ZINC000843342219 827031461 /nfs/dbraw/zinc/03/14/61/827031461.db2.gz OROKRNPBUMPUEY-KKUMJFAQSA-N 3 0 253.434 1.968 10 0 CDAERP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)[C@@H]1CN(C)CCO1 ZINC000925616577 827074852 /nfs/dbraw/zinc/07/48/52/827074852.db2.gz NMAQBMGQRATIBY-DGAVXFQQSA-N 2 0 269.433 1.201 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CN(C2CC2)C(=O)O1 ZINC000848721199 827074902 /nfs/dbraw/zinc/07/49/02/827074902.db2.gz JCKZPUXGNGDLQB-DRZSPHRISA-N 2 0 267.373 1.077 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925699710 827112392 /nfs/dbraw/zinc/11/23/92/827112392.db2.gz LVKUAMLFWKNGSN-CRWXNKLISA-N 3 0 253.434 1.870 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000713008245 827158383 /nfs/dbraw/zinc/15/83/83/827158383.db2.gz JMANGYHCRPDJMJ-KBPBESRZSA-N 2 0 283.460 1.987 10 0 CDAERP COC(=O)/C(C)=C\C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799179349 827164029 /nfs/dbraw/zinc/16/40/29/827164029.db2.gz JIBVTERBTVDZCU-RZNTYIFUSA-N 2 0 280.412 1.914 10 0 CDAERP COC(=O)N[C@H]1CC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923429355 827239331 /nfs/dbraw/zinc/23/93/31/827239331.db2.gz ZZAKOUJSWAUFCT-GSPSYOTPSA-N 2 0 281.400 1.337 10 0 CDAERP CCCN(C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)C1CC[NH2+]CC1 ZINC000870938920 827276887 /nfs/dbraw/zinc/27/68/87/827276887.db2.gz WNTYOTDUIWYQPK-XUJVJEKNSA-N 2 0 265.401 1.104 10 0 CDAERP CN(C)C(=O)C1CC[NH+](CCCCCC[NH3+])CC1 ZINC000846218164 827328037 /nfs/dbraw/zinc/32/80/37/827328037.db2.gz SOLJXDSSNXDSLG-UHFFFAOYSA-N 2 0 255.406 1.306 10 0 CDAERP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccnnc1 ZINC000925216039 827420647 /nfs/dbraw/zinc/42/06/47/827420647.db2.gz QOVLOURUODZBMP-CYBMUJFWSA-N 2 0 277.416 1.153 10 0 CDAERP NC(=O)c1ccc(CC[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000866664876 827428787 /nfs/dbraw/zinc/42/87/87/827428787.db2.gz PCBSYMXHQGTVPG-KRWDZBQOSA-N 2 0 287.407 1.404 10 0 CDAERP CO[C@H](C[NH+]1CCC(C)([NH+](C)C)CC1)[C@H]1CCOC1 ZINC000931355530 827440279 /nfs/dbraw/zinc/44/02/79/827440279.db2.gz UAFWJJQHLISELP-UONOGXRCSA-N 2 0 270.417 1.454 10 0 CDAERP Cc1c[nH+]ccc1N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000720399248 827714824 /nfs/dbraw/zinc/71/48/24/827714824.db2.gz OUAVREWFXPTHPX-KBPBESRZSA-N 2 0 263.410 1.804 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000925815840 827750774 /nfs/dbraw/zinc/75/07/74/827750774.db2.gz AONREFOITLYSCE-IXDOHACOSA-N 3 0 294.487 1.310 10 0 CDAERP CC1(C)[C@@H]([NH2+]CCCO[C@H]2CCOC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925553530 827808854 /nfs/dbraw/zinc/80/88/54/827808854.db2.gz TXHIEIOORPTHQT-XGUBFFRZSA-N 2 0 282.428 1.548 10 0 CDAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](C[C@H]1CCC3(CCC3)O1)CC2 ZINC000923445648 827814145 /nfs/dbraw/zinc/81/41/45/827814145.db2.gz KVJHSVWKKALAAC-CABCVRRESA-N 2 0 294.439 1.918 10 0 CDAERP CC1(C)C[NH2+]C[C@H]1C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000711375258 827832299 /nfs/dbraw/zinc/83/22/99/827832299.db2.gz DASDQZHWSDBENL-KGLIPLIRSA-N 2 0 279.428 1.319 10 0 CDAERP [NH3+][C@H](CC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)C1CC1 ZINC000852860140 827893205 /nfs/dbraw/zinc/89/32/05/827893205.db2.gz LCHWSGHMKCKPBT-HUUCEWRRSA-N 2 0 289.379 1.413 10 0 CDAERP COC(=O)[C@@H]1C[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)O1 ZINC000923389299 827902801 /nfs/dbraw/zinc/90/28/01/827902801.db2.gz VNSJKEFWOGBPJB-MNFFZHCASA-N 2 0 296.411 1.169 10 0 CDAERP COc1cc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)on1 ZINC000926665603 827916392 /nfs/dbraw/zinc/91/63/92/827916392.db2.gz INWMMOIBIDUILI-MXWKQRLJSA-N 2 0 253.346 1.674 10 0 CDAERP COCCC[N@H+](C)CCN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925520815 828032233 /nfs/dbraw/zinc/03/22/33/828032233.db2.gz YIIIMVGONJDJQF-IAGOWNOFSA-N 2 0 297.487 1.713 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]CCN2CCc3sccc3C2)C12CCC2 ZINC000925490804 828044248 /nfs/dbraw/zinc/04/42/48/828044248.db2.gz CFGQOAQBXUDZSZ-HUUCEWRRSA-N 2 0 291.464 1.966 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)CCCCC[NH3+] ZINC000037001270 828066122 /nfs/dbraw/zinc/06/61/22/828066122.db2.gz BNIVYBYNYLLVKE-CYBMUJFWSA-N 2 0 257.422 1.598 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)CCC23CC(C2)C[NH2+]3)C1 ZINC000870905031 828121884 /nfs/dbraw/zinc/12/18/84/828121884.db2.gz HUGZDVKAXWVCOZ-UQPPLGOBSA-N 2 0 293.455 1.613 10 0 CDAERP COC(=O)c1cc(C[N@@H+]2CC[C@H](CC[NH3+])C2)ccc1C ZINC000923478835 828140863 /nfs/dbraw/zinc/14/08/63/828140863.db2.gz HXQLTHOKGTZTHY-ZDUSSCGKSA-N 2 0 276.380 1.952 10 0 CDAERP CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000866685754 828143471 /nfs/dbraw/zinc/14/34/71/828143471.db2.gz XDPZLWBMHVUBQS-AWEZNQCLSA-N 2 0 282.432 1.160 10 0 CDAERP CC1(C)[C@@H]([NH2+][C@@H]2CCc3n[nH]cc3C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925585754 828303774 /nfs/dbraw/zinc/30/37/74/828303774.db2.gz WMGJYENWNIDTNR-UXOAXIEHSA-N 2 0 274.412 1.633 10 0 CDAERP Cn1cncc1Cc1noc([C@H](F)[C@H]2CC[NH2+]C2)n1 ZINC000863666471 828332100 /nfs/dbraw/zinc/33/21/00/828332100.db2.gz YTPFIVTYXNIKJQ-GZMMTYOYSA-N 2 0 265.292 1.014 10 0 CDAERP C[C@@H](C[N@H+](C)CC1CC1)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001569138908 1167552566 /nfs/dbraw/zinc/55/25/66/1167552566.db2.gz XRJNQUOOXSWZLX-STQMWFEESA-N 2 0 267.417 1.175 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001567140405 1168046808 /nfs/dbraw/zinc/04/68/08/1168046808.db2.gz LIEUICSFRNFXIH-CABCVRRESA-N 2 0 281.444 1.566 10 0 CDAERP CC[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001566717875 1168399203 /nfs/dbraw/zinc/39/92/03/1168399203.db2.gz XVFGPCGTWYTLDW-ZDUSSCGKSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001567059230 1168538646 /nfs/dbraw/zinc/53/86/46/1168538646.db2.gz JJZTYJUMYHYSAP-ZIAGYGMSSA-N 2 0 269.433 1.752 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC1CC1 ZINC001272300712 912727337 /nfs/dbraw/zinc/72/73/37/912727337.db2.gz GFQGDCWEDJXYTQ-KBPBESRZSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CC[C@H](C)F)C1 ZINC001567155891 1168600289 /nfs/dbraw/zinc/60/02/89/1168600289.db2.gz ZTBPMYSLJULGOZ-KBPBESRZSA-N 2 0 287.423 1.513 10 0 CDAERP CC(C)[NH+](C)CC(=O)NCCC[C@@H]1CCC[N@H+]1C[C@H](C)O ZINC001567266253 1168642753 /nfs/dbraw/zinc/64/27/53/1168642753.db2.gz HHSPILKKTDNMFS-LSDHHAIUSA-N 2 0 299.459 1.068 10 0 CDAERP CCC[N@@H+](CC=C(C)C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001266568322 895395316 /nfs/dbraw/zinc/39/53/16/895395316.db2.gz KRHVIDDIWWDGJA-OAHLLOKOSA-N 2 0 281.444 1.875 10 0 CDAERP C[C@H]([NH2+][C@H]1CCCC12CC2)[C@H]1CN(C)CCN1C ZINC000706953771 895906828 /nfs/dbraw/zinc/90/68/28/895906828.db2.gz BAMZTCSVKHUJPU-MJBXVCDLSA-N 2 0 251.418 1.543 10 0 CDAERP CC[C@@H](C)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723905691 896262613 /nfs/dbraw/zinc/26/26/13/896262613.db2.gz MHOULENMUOIRJO-FDYHWXHSSA-N 2 0 255.406 1.206 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCCN(C)C/C=C\Cl)CC[N@@H+]1C ZINC001480903115 896372957 /nfs/dbraw/zinc/37/29/57/896372957.db2.gz NUBWNIIDQSQRKB-ODBHDECVSA-N 2 0 287.835 1.517 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)[NH2+]CC1=CCCCC1)[NH+](C)C ZINC001266986503 896501795 /nfs/dbraw/zinc/50/17/95/896501795.db2.gz YCFDNABBQPYDDX-UKRRQHHQSA-N 2 0 281.444 1.921 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)CC[NH2+]C[C@@H]1CCO[C@@H](C)C1 ZINC001267004979 896533420 /nfs/dbraw/zinc/53/34/20/896533420.db2.gz NWMFEVUCCKKPNQ-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]C/C=C/Cl)C1)[NH+](C)C ZINC001267059379 896658838 /nfs/dbraw/zinc/65/88/38/896658838.db2.gz VYMMCCFDPBTPHM-YTDWTQRBSA-N 2 0 287.835 1.517 10 0 CDAERP CN(CC[NH2+]CC1CCC1)C(=O)C1CC[NH+](C)CC1 ZINC001567555677 1168854100 /nfs/dbraw/zinc/85/41/00/1168854100.db2.gz YBDPSVCAJSSXGG-UHFFFAOYSA-N 2 0 267.417 1.176 10 0 CDAERP Cc1nnc(CC[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)s1 ZINC000693737940 897244681 /nfs/dbraw/zinc/24/46/81/897244681.db2.gz KJTAMNZZJBSLOX-KGYLQXTDSA-N 2 0 280.441 1.755 10 0 CDAERP CC(C)CCC[NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001567561023 1168857241 /nfs/dbraw/zinc/85/72/41/1168857241.db2.gz XKKAKDUZMKCUHA-OAHLLOKOSA-N 2 0 283.460 1.812 10 0 CDAERP [NH3+][C@H]1C[C@@H]([NH2+]CCC(=O)N2CCCCC2)C12CCC2 ZINC000405314007 897587714 /nfs/dbraw/zinc/58/77/14/897587714.db2.gz QKCUJAANYKVHIQ-QWHCGFSZSA-N 2 0 265.401 1.249 10 0 CDAERP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CCCCCF)C1 ZINC001267757953 899608996 /nfs/dbraw/zinc/60/89/96/899608996.db2.gz GFHSXLYHNZOMNV-GJZGRUSLSA-N 2 0 299.434 1.753 10 0 CDAERP CC[C@H](C(=O)N(C)CC[NH2+]CCC(C)(C)C)[NH+](C)C ZINC001481304089 900282405 /nfs/dbraw/zinc/28/24/05/900282405.db2.gz HZZHHGCPWXQCHY-CYBMUJFWSA-N 2 0 271.449 1.811 10 0 CDAERP CO[C@@H](C)C[NH2+][C@@H](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001481343525 900460203 /nfs/dbraw/zinc/46/02/03/900460203.db2.gz UQKBEPSNPMWMRL-KBPBESRZSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)C[C@@H](C[NH2+]CCCF)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268109794 901311105 /nfs/dbraw/zinc/31/11/05/901311105.db2.gz OOBPIEXMPHLHIW-UONOGXRCSA-N 2 0 287.423 1.561 10 0 CDAERP CCCC[NH+]1CC(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001481660741 901747148 /nfs/dbraw/zinc/74/71/48/901747148.db2.gz NCGOYJQAIFBDCK-OKILXGFUSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H](CC[NH2+]Cc1ccsc1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001268348103 901912605 /nfs/dbraw/zinc/91/26/05/901912605.db2.gz GEBROMGMGZEKAK-OCCSQVGLSA-N 2 0 295.452 1.827 10 0 CDAERP CC[C@@H](C[NH2+]CC[C@H](C)NC(=O)C1CC[NH+](C)CC1)OC ZINC001268396388 901992672 /nfs/dbraw/zinc/99/26/72/901992672.db2.gz IUDWGMJWGYLWEY-ZFWWWQNUSA-N 2 0 299.459 1.238 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC001361940445 902985377 /nfs/dbraw/zinc/98/53/77/902985377.db2.gz AXMIQGGJLYPFNM-GJZGRUSLSA-N 2 0 281.444 1.661 10 0 CDAERP CCC[NH2+]C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001268706651 902990790 /nfs/dbraw/zinc/99/07/90/902990790.db2.gz OVCXBNBXWMMUQM-LBPRGKRZSA-N 2 0 255.406 1.223 10 0 CDAERP CN(CCC[NH2+]CC[C@@H]1CCCO1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268782715 903121984 /nfs/dbraw/zinc/12/19/84/903121984.db2.gz BCJHOCJYCJDTEW-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001268915351 903241559 /nfs/dbraw/zinc/24/15/59/903241559.db2.gz LFCNTLOVAWUJFC-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)[NH2+]CCCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001268961455 903281921 /nfs/dbraw/zinc/28/19/21/903281921.db2.gz ALFSQQHGTMEUQN-HNNXBMFYSA-N 2 0 283.460 1.953 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001269293481 903662635 /nfs/dbraw/zinc/66/26/35/903662635.db2.gz XVRLKNASLADHES-PEGRTIRESA-N 2 0 281.444 1.873 10 0 CDAERP CC1CC[NH+](CC(=O)N[C@@](C)(C[NH2+]CCF)C2CC2)CC1 ZINC001269645703 904004471 /nfs/dbraw/zinc/00/44/71/904004471.db2.gz PHAWEHHTNLFBFM-INIZCTEOSA-N 2 0 299.434 1.562 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001270112842 904367726 /nfs/dbraw/zinc/36/77/26/904367726.db2.gz KOHYIGBPHGTLEL-CHWSQXEVSA-N 2 0 253.390 1.071 10 0 CDAERP CC(C)=CC[NH+]1CC[C@@](C)(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001270625583 904838308 /nfs/dbraw/zinc/83/83/08/904838308.db2.gz YPAZALCYIOHRGP-DOTOQJQBSA-N 2 0 293.455 1.875 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]CC[C@@H]1CCOC1 ZINC001482369212 905218744 /nfs/dbraw/zinc/21/87/44/905218744.db2.gz LZZXQGILAJSQIU-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@H](C[NH2+]CC[C@H](C)F)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001270994165 905529678 /nfs/dbraw/zinc/52/96/78/905529678.db2.gz BXSLTHRTNPGREG-QWHCGFSZSA-N 2 0 287.423 1.655 10 0 CDAERP CC[C@@H](C)C[N@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001422945769 905661435 /nfs/dbraw/zinc/66/14/35/905661435.db2.gz HMYLHDMVOKMCLH-HUUCEWRRSA-N 2 0 295.471 1.907 10 0 CDAERP CCC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001271450587 906434416 /nfs/dbraw/zinc/43/44/16/906434416.db2.gz VOKHOERTUIRQFQ-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001423398333 907230688 /nfs/dbraw/zinc/23/06/88/907230688.db2.gz HIWRKRDPCHNPCA-KGLIPLIRSA-N 2 0 283.460 1.811 10 0 CDAERP COCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C ZINC001272033922 907574353 /nfs/dbraw/zinc/57/43/53/907574353.db2.gz LAPFDWLWLGABIK-GJZGRUSLSA-N 2 0 297.443 1.040 10 0 CDAERP C[C@H]1[C@H](NC(=O)NCC2CC[NH+](C3CC3)CC2)CC[N@@H+]1C ZINC000922220631 921380326 /nfs/dbraw/zinc/38/03/26/921380326.db2.gz XZEDCECRQJXNCA-SWLSCSKDSA-N 2 0 294.443 1.253 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CC2CCC2)C1 ZINC001482661926 908136500 /nfs/dbraw/zinc/13/65/00/908136500.db2.gz HVRTZHACMXPLBN-CVEARBPZSA-N 2 0 293.455 1.661 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1conc1C)[NH+](C)C ZINC001482844866 908422494 /nfs/dbraw/zinc/42/24/94/908422494.db2.gz BLPDVEXVWMSSPO-SMDDNHRTSA-N 2 0 296.415 1.308 10 0 CDAERP CCCN(C(=O)C12CC[NH+](CC1)C2)C1CC[NH2+]CC1 ZINC000715785405 921528614 /nfs/dbraw/zinc/52/86/14/921528614.db2.gz YCPGJSGWAHKBLN-UHFFFAOYSA-N 2 0 265.401 1.073 10 0 CDAERP C[C@@H](C[NH2+]CCCF)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001483235401 910468314 /nfs/dbraw/zinc/46/83/14/910468314.db2.gz ONKJXXXNVATXMR-ZFWWWQNUSA-N 2 0 299.434 1.847 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001483296826 910810536 /nfs/dbraw/zinc/81/05/36/910810536.db2.gz RNHRNIHPWKCCJT-NWDGAFQWSA-N 2 0 261.385 1.169 10 0 CDAERP C[C@@H](C[NH2+]Cc1cccc(F)c1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001483293329 910807435 /nfs/dbraw/zinc/80/74/35/910807435.db2.gz CQXULUCJYHDPOY-GXTWGEPZSA-N 2 0 293.386 1.372 10 0 CDAERP CCCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001484905419 916259773 /nfs/dbraw/zinc/25/97/73/916259773.db2.gz UTDFNSQXFOWAAM-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH+](C)CC1CC1 ZINC001485312883 916794524 /nfs/dbraw/zinc/79/45/24/916794524.db2.gz JKHPXTCRSBNJPI-DZGCQCFKSA-N 2 0 281.444 1.707 10 0 CDAERP COCC[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001485875329 920537985 /nfs/dbraw/zinc/53/79/85/920537985.db2.gz LDKKDFONFIUBCX-AWEZNQCLSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@H](CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]CC1CC1 ZINC001485886309 920545411 /nfs/dbraw/zinc/54/54/11/920545411.db2.gz UHURYJBLFBUBBY-UKRRQHHQSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001485908296 920561475 /nfs/dbraw/zinc/56/14/75/920561475.db2.gz PJFFMNZNAKIEPN-ZDUSSCGKSA-N 2 0 269.433 1.706 10 0 CDAERP CC[C@H](C(=O)N(C)CC[NH2+]Cc1cnccc1C)[NH+](C)C ZINC001493589280 920641173 /nfs/dbraw/zinc/64/11/73/920641173.db2.gz FBBSROVYRGUHEO-OAHLLOKOSA-N 2 0 292.427 1.278 10 0 CDAERP CC[C@H](C(=O)N(CC[N@H+](C)CC)C(C)C)[NH+](C)C ZINC001486369950 920949164 /nfs/dbraw/zinc/94/91/64/920949164.db2.gz SIFOOYQDKHWPGO-CYBMUJFWSA-N 2 0 257.422 1.515 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2CC3(C2)OCCO3)CC1(C)C ZINC000922797757 921818264 /nfs/dbraw/zinc/81/82/64/921818264.db2.gz BFFPOFMJMKCMHC-ZDUSSCGKSA-N 2 0 268.401 1.602 10 0 CDAERP C([C@H]1CCCC12CCOCC2)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001190436834 922014617 /nfs/dbraw/zinc/01/46/17/922014617.db2.gz MCCLKHRZLAHWMR-QLFBSQMISA-N 2 0 264.413 1.735 10 0 CDAERP CC(C)OCC[NH+]1CC([C@H](C)NC(=O)C[N@H+](C)C(C)C)C1 ZINC001409980887 922608573 /nfs/dbraw/zinc/60/85/73/922608573.db2.gz WIQKTWGYDGNAPX-AWEZNQCLSA-N 2 0 299.459 1.188 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001491048069 936846449 /nfs/dbraw/zinc/84/64/49/936846449.db2.gz PCIGLVPFUQBLNC-OKILXGFUSA-N 2 0 267.417 1.531 10 0 CDAERP CCOCC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001491080635 936852074 /nfs/dbraw/zinc/85/20/74/936852074.db2.gz REWVWSLVBJYMCR-TUVASFSCSA-N 2 0 297.443 1.133 10 0 CDAERP CC(C)CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001495591303 936855383 /nfs/dbraw/zinc/85/53/83/936855383.db2.gz AAUJXVNKQUEMKH-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CCO)[NH+](CC)CC ZINC001491265160 936886493 /nfs/dbraw/zinc/88/64/93/936886493.db2.gz XDTLYDMVUPOCSA-GJZGRUSLSA-N 2 0 299.459 1.070 10 0 CDAERP CCC[NH2+]C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001491273975 936886906 /nfs/dbraw/zinc/88/69/06/936886906.db2.gz YKKBKYQFXLFJHM-CQSZACIVSA-N 2 0 267.417 1.463 10 0 CDAERP CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001491477665 936922450 /nfs/dbraw/zinc/92/24/50/936922450.db2.gz LLNOSLYIYGMNFI-OCCSQVGLSA-N 2 0 267.417 1.508 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001442128685 937015989 /nfs/dbraw/zinc/01/59/89/937015989.db2.gz CYPVVWSOXCZJAX-KGLIPLIRSA-N 2 0 299.434 1.657 10 0 CDAERP C[C@@H]1[C@@H]([NH2+]C/C=C\Cl)CCN1C(=O)C[NH+]1CCCC1 ZINC001410877459 926720965 /nfs/dbraw/zinc/72/09/65/926720965.db2.gz YXTCIIXRRHUKQG-RMKKPPKKSA-N 2 0 285.819 1.414 10 0 CDAERP C[C@H]1C[C@H]([NH2+]CCC(F)(F)F)CN1C(=O)CC[NH+](C)C ZINC001410882667 926727066 /nfs/dbraw/zinc/72/70/66/926727066.db2.gz ZRTMCWWDVJDIOG-QWRGUYRKSA-N 2 0 295.349 1.470 10 0 CDAERP CCCC[NH2+][C@@H](CNC(=O)[C@@]12CC[N@H+](C1)CCC2)C1CC1 ZINC001490737717 927315931 /nfs/dbraw/zinc/31/59/31/927315931.db2.gz MUHHGLNSLQHZJC-RDJZCZTQSA-N 2 0 293.455 1.757 10 0 CDAERP [NH3+][C@H]1CCc2ncc(NC(=O)C=C3CC[NH2+]CC3)cc2C1 ZINC000852873734 927905858 /nfs/dbraw/zinc/90/58/58/927905858.db2.gz BJWAXHOEMRHMDE-ZDUSSCGKSA-N 2 0 286.379 1.146 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001136345216 930922213 /nfs/dbraw/zinc/92/22/13/930922213.db2.gz NKKJPPCYFWSHCQ-CYBMUJFWSA-N 2 0 269.433 1.517 10 0 CDAERP CC[C@@H](C(=O)NC/C=C/C[NH2+]C[C@@H]1CCCCO1)[NH+](C)C ZINC001274369053 931494477 /nfs/dbraw/zinc/49/44/77/931494477.db2.gz OYAGTHREEDGAAB-KXLSMFKISA-N 2 0 297.443 1.158 10 0 CDAERP CC(C)CCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001274760361 931569159 /nfs/dbraw/zinc/56/91/59/931569159.db2.gz MJLASDBIMKVFMX-GDBMZVCRSA-N 2 0 295.471 1.859 10 0 CDAERP C[C@H](C[NH2+]CCCF)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001274877464 931599727 /nfs/dbraw/zinc/59/97/27/931599727.db2.gz CULPHPHMBRCRCB-GFCCVEGCSA-N 2 0 273.396 1.315 10 0 CDAERP CCCC[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001275209017 931700255 /nfs/dbraw/zinc/70/02/55/931700255.db2.gz DSTPVJKTPYFOQV-RUXDESIVSA-N 2 0 267.417 1.365 10 0 CDAERP CC[C@H](C)C[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001275720737 931979737 /nfs/dbraw/zinc/97/97/37/931979737.db2.gz MGLOELPYYCCMRO-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC001411901312 932132872 /nfs/dbraw/zinc/13/28/72/932132872.db2.gz MOZNFVNIEUNTDW-KFWWJZLASA-N 2 0 281.444 1.517 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1C(=O)NCC1([NH3+])CCCCC1 ZINC001118193318 937600626 /nfs/dbraw/zinc/60/06/26/937600626.db2.gz AQRQQNLVTSCTHC-VXGBXAGGSA-N 2 0 253.390 1.282 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001412624604 932569267 /nfs/dbraw/zinc/56/92/67/932569267.db2.gz XDNRBEOQRVEURG-JJXSEGSLSA-N 2 0 293.455 1.802 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCO[C@@H]1CCOC1 ZINC000925261434 932864300 /nfs/dbraw/zinc/86/43/00/932864300.db2.gz HMUQTJNAJXDMTP-PEUVFPKISA-N 2 0 268.401 1.112 10 0 CDAERP C[C@H](COCC(F)(F)F)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925600093 932912291 /nfs/dbraw/zinc/91/22/91/932912291.db2.gz DOCHPAMSUNRMNI-KXUCPTDWSA-N 2 0 266.307 1.813 10 0 CDAERP CC(C)[NH2+]CCC(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000691936147 933448211 /nfs/dbraw/zinc/44/82/11/933448211.db2.gz XOCZZFDIIHUDHL-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CO[C@@H]1CCC[C@H]1[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000687343722 934279386 /nfs/dbraw/zinc/27/93/86/934279386.db2.gz SWNWHQPXRPKNST-BZUAXINKSA-N 2 0 283.460 1.416 10 0 CDAERP C[C@@H](F)CC[NH2+]CC[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001568710903 1169441114 /nfs/dbraw/zinc/44/11/14/1169441114.db2.gz SQVGOZQZQQTBAQ-OLZOCXBDSA-N 2 0 273.396 1.315 10 0 CDAERP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC[S@@](C)=O ZINC000400581292 940853095 /nfs/dbraw/zinc/85/30/95/940853095.db2.gz ZMFXQOXYXUROCZ-PTSWNOGYSA-N 2 0 294.464 1.865 10 0 CDAERP Cc1nnc(CC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)s1 ZINC000405232560 940975387 /nfs/dbraw/zinc/97/53/87/940975387.db2.gz BQOFQLJWOGHHQE-NXEZZACHSA-N 2 0 252.387 1.249 10 0 CDAERP CC[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCCCC1 ZINC001329860633 941350556 /nfs/dbraw/zinc/35/05/56/941350556.db2.gz JTKYXGCNNLKOHW-ZDUSSCGKSA-N 2 0 267.417 1.367 10 0 CDAERP CC[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001277079690 941922627 /nfs/dbraw/zinc/92/26/27/941922627.db2.gz KDKKXYKJYXPHMB-LBPRGKRZSA-N 2 0 253.390 1.119 10 0 CDAERP O=C(Cc1c[nH]cn1)NCC1=CC[N@H+](CCCF)CC1 ZINC001279643398 942399198 /nfs/dbraw/zinc/39/91/98/942399198.db2.gz FQUGYYJZZIBRKU-UHFFFAOYSA-N 2 0 280.347 1.060 10 0 CDAERP C[C@H](CCC[NH2+]C/C=C/Cl)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001277356695 942419596 /nfs/dbraw/zinc/41/95/96/942419596.db2.gz WJVUGVSCEYSLMJ-GPEUJJIWSA-N 2 0 287.835 1.565 10 0 CDAERP CCCC[NH2+][C@H](C)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001283629123 942952607 /nfs/dbraw/zinc/95/26/07/942952607.db2.gz FLIUJIFIJSTPSD-CQSZACIVSA-N 2 0 281.444 1.851 10 0 CDAERP CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001283655090 942960417 /nfs/dbraw/zinc/96/04/17/942960417.db2.gz YCQSROORXTVGPJ-STQMWFEESA-N 2 0 255.406 1.317 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)CC[NH+]2CC[C@H](F)C2)C1 ZINC001362163341 970963701 /nfs/dbraw/zinc/96/37/01/970963701.db2.gz VMRXDHQKGWCUCK-KBPBESRZSA-N 2 0 285.407 1.267 10 0 CDAERP CC[C@H](C(=O)NCC1=CCN(CCF)CC1)[NH+](C)C ZINC001284929293 943290765 /nfs/dbraw/zinc/29/07/65/943290765.db2.gz JBLNHGBZTCVMGI-CYBMUJFWSA-N 2 0 271.380 1.044 10 0 CDAERP CCOCCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001277825452 943717036 /nfs/dbraw/zinc/71/70/36/943717036.db2.gz AZZSMCKZNXSIDD-RBSFLKMASA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)C[NH2+]CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC000722179873 943968593 /nfs/dbraw/zinc/96/85/93/943968593.db2.gz VQUWODSLBIMJLO-UHFFFAOYSA-N 2 0 255.406 1.032 10 0 CDAERP CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001263817673 943986784 /nfs/dbraw/zinc/98/67/84/943986784.db2.gz ZQBHDJINNBHAEC-KBPBESRZSA-N 2 0 267.417 1.271 10 0 CDAERP COCCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001265705073 944476109 /nfs/dbraw/zinc/47/61/09/944476109.db2.gz DQIBHZJIULGGAX-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[NH+](C)CC2CC2)C1 ZINC001265907769 944568627 /nfs/dbraw/zinc/56/86/27/944568627.db2.gz CAQUVPNPIPCBPB-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)CCC[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001265939975 944584934 /nfs/dbraw/zinc/58/49/34/944584934.db2.gz FYLDBCSVILZVDX-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](C(=O)NCC[C@@H](C)[NH2+]CC1CC1)[NH+](C)C ZINC001266154991 944720287 /nfs/dbraw/zinc/72/02/87/944720287.db2.gz IEAHYTWJLZPJDJ-DGCLKSJQSA-N 2 0 255.406 1.221 10 0 CDAERP CC(C)[NH2+]CCOCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001279408441 944801573 /nfs/dbraw/zinc/80/15/73/944801573.db2.gz BWEOEGZIOXZODL-HNNXBMFYSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001568873437 1169527730 /nfs/dbraw/zinc/52/77/30/1169527730.db2.gz MHGNXHVWVRTAIS-NFAHFFEMSA-N 2 0 281.444 1.779 10 0 CDAERP COC1CC[NH+](CCNC(=O)C2([NH+](C)C)CCCC2)CC1 ZINC001362373556 971204079 /nfs/dbraw/zinc/20/40/79/971204079.db2.gz SBEDPFCBKLAULX-UHFFFAOYSA-N 2 0 297.443 1.088 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCCC(=O)N(C)C)[C@@H](C)C1 ZINC001261544053 946166773 /nfs/dbraw/zinc/16/67/73/946166773.db2.gz FQCQIQYWASBEPJ-UONOGXRCSA-N 2 0 269.433 1.517 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CCCF ZINC001568903053 1169540999 /nfs/dbraw/zinc/54/09/99/1169540999.db2.gz UCCDVCHKUMEFCI-SCOBNMCVSA-N 2 0 271.380 1.092 10 0 CDAERP COC(=O)[C@H]1[C@@H](C[NH2+]CCC2CC[NH+](C)CC2)C1(F)F ZINC001262110017 946440016 /nfs/dbraw/zinc/44/00/16/946440016.db2.gz NVQJQVMNRMTDTC-VXGBXAGGSA-N 2 0 290.354 1.362 10 0 CDAERP C[C@@H]([NH2+]CC1CC1)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001279038046 948631501 /nfs/dbraw/zinc/63/15/01/948631501.db2.gz DKBCEDBJMYGGQZ-GDBMZVCRSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](C[NH2+]CCCF)NC(=O)CC[NH+]1CCCCC1 ZINC001569037851 1169606172 /nfs/dbraw/zinc/60/61/72/1169606172.db2.gz AXNCOXKVUKBUJY-CYBMUJFWSA-N 2 0 273.396 1.316 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001480152359 971604128 /nfs/dbraw/zinc/60/41/28/971604128.db2.gz AHRQWTJOPPVTKU-IHRRRGAJSA-N 2 0 299.434 1.846 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H](C)OC)C1 ZINC001480206881 971628801 /nfs/dbraw/zinc/62/88/01/971628801.db2.gz OWMHDTHYWQGYRD-XQLPTFJDSA-N 2 0 297.443 1.133 10 0 CDAERP CCCC[N@@H+]1CCC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001480270212 971653950 /nfs/dbraw/zinc/65/39/50/971653950.db2.gz WJUHSQVVEVLCKI-HNNXBMFYSA-N 2 0 281.444 1.711 10 0 CDAERP CCN1CC[C@H]1C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001362900169 971711422 /nfs/dbraw/zinc/71/14/22/971711422.db2.gz RAFPDWWDNQIIQI-HIFRSBDPSA-N 2 0 279.428 1.413 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001480494519 971755374 /nfs/dbraw/zinc/75/53/74/971755374.db2.gz BCVQIXSEIYNISO-CQSZACIVSA-N 2 0 279.428 1.675 10 0 CDAERP CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C(C)(C)C1 ZINC001362974706 971778140 /nfs/dbraw/zinc/77/81/40/971778140.db2.gz WZVLXVHKVXSVMP-KKUMJFAQSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC1=CCCCC1 ZINC001480571216 971789651 /nfs/dbraw/zinc/78/96/51/971789651.db2.gz BQFSYPYNBOJJNG-GOEBONIOSA-N 2 0 293.455 1.923 10 0 CDAERP CC[NH2+][C@H](C)CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001480770794 971872943 /nfs/dbraw/zinc/87/29/43/971872943.db2.gz IXGOWEXVLOORQB-OLZOCXBDSA-N 2 0 255.406 1.365 10 0 CDAERP C[NH+](C)[C@@H]1C[C@H](NC(=O)C2([NH+](C)C)CCCC2)C1(C)C ZINC001363119356 971904186 /nfs/dbraw/zinc/90/41/86/971904186.db2.gz MONHNRZGYURNJX-QWHCGFSZSA-N 2 0 281.444 1.706 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NCCC[C@@H]2CCC[NH+]2CC2CC2)C1 ZINC001480832843 971897166 /nfs/dbraw/zinc/89/71/66/971897166.db2.gz IADWUWPICLBWJT-JKSUJKDBSA-N 2 0 293.455 1.709 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001480829946 971897543 /nfs/dbraw/zinc/89/75/43/971897543.db2.gz HIPFHUGEJVTIIG-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001363135326 971916622 /nfs/dbraw/zinc/91/66/22/971916622.db2.gz AJZPOKNZOLNNTL-RBSFLKMASA-N 2 0 283.460 1.953 10 0 CDAERP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)CC[NH+]1CC[C@@H](F)C1 ZINC001363139922 971920444 /nfs/dbraw/zinc/92/04/44/971920444.db2.gz PNGBOOATNCBDSN-ZIAGYGMSSA-N 2 0 299.434 1.657 10 0 CDAERP CCOCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001324641428 953487661 /nfs/dbraw/zinc/48/76/61/953487661.db2.gz KXTGZRGEVVZRQN-HOCLYGCPSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@H](C)[NH+](C)C ZINC001363670075 953628664 /nfs/dbraw/zinc/62/86/64/953628664.db2.gz GHWMRSOJOHOXEH-RRFJBIMHSA-N 2 0 281.444 1.658 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001493252821 971996684 /nfs/dbraw/zinc/99/66/84/971996684.db2.gz ADWXCWYBKKJZOA-JKSUJKDBSA-N 2 0 295.471 1.812 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC001327196336 954764039 /nfs/dbraw/zinc/76/40/39/954764039.db2.gz NJVUPJOHNNFCBH-HZSPNIEDSA-N 2 0 267.417 1.495 10 0 CDAERP [NH3+]Cc1ccccc1CNC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC001327960790 955133318 /nfs/dbraw/zinc/13/33/18/955133318.db2.gz LZIPXDNEKCIIQD-KBPBESRZSA-N 2 0 261.369 1.279 10 0 CDAERP CCC[N@@H+]1CCCC[C@H]1C(=O)NCCCC[NH+](C)C ZINC001328075836 955184103 /nfs/dbraw/zinc/18/41/03/955184103.db2.gz KLJFDEXLRNECKQ-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP CN(CC[NH2+]Cc1ccccc1)C(=O)C1([NH+](C)C)CCC1 ZINC001493574907 972083862 /nfs/dbraw/zinc/08/38/62/972083862.db2.gz OAGPCNRDMGGPQV-UHFFFAOYSA-N 2 0 289.423 1.719 10 0 CDAERP CC[C@H](C)C[NH2+]CCN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001493579712 972084884 /nfs/dbraw/zinc/08/48/84/972084884.db2.gz OMIVBFQLJTVCLE-ZDUSSCGKSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001491805334 955407500 /nfs/dbraw/zinc/40/75/00/955407500.db2.gz SACOKHYQDOWYGN-GDBMZVCRSA-N 2 0 293.455 1.422 10 0 CDAERP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCOCC12CCCC2 ZINC001363337818 972096976 /nfs/dbraw/zinc/09/69/76/972096976.db2.gz YGCFBZPBXLLIKB-LSDHHAIUSA-N 2 0 284.444 1.626 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@H](C)CC[NH+](C)C ZINC001363374707 972112746 /nfs/dbraw/zinc/11/27/46/972112746.db2.gz QJLKLMHAGOYTKU-ZIAGYGMSSA-N 2 0 271.449 1.811 10 0 CDAERP C[C@H](C[NH2+]Cc1ccccc1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001421987276 955686660 /nfs/dbraw/zinc/68/66/60/955686660.db2.gz JJWQGXVKACUFTM-ZBFHGGJFSA-N 2 0 289.423 1.575 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccccc1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001421987271 955688403 /nfs/dbraw/zinc/68/84/03/955688403.db2.gz JJWQGXVKACUFTM-HOCLYGCPSA-N 2 0 289.423 1.575 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001329114480 955697147 /nfs/dbraw/zinc/69/71/47/955697147.db2.gz ZZRGYHSPZNLNEJ-OLZOCXBDSA-N 2 0 255.406 1.387 10 0 CDAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CC1CCCCC1 ZINC001422062718 955726580 /nfs/dbraw/zinc/72/65/80/955726580.db2.gz MRUJYBIWPMTVJH-GOEBONIOSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CCF ZINC001422114666 955750953 /nfs/dbraw/zinc/75/09/53/955750953.db2.gz GYOHYGWRGJDLSR-STQMWFEESA-N 2 0 273.396 1.028 10 0 CDAERP CCC[NH2+][C@@H](CNC(=O)[C@H](C)C[NH+]1CCOCC1)C(C)C ZINC001422134755 955766619 /nfs/dbraw/zinc/76/66/19/955766619.db2.gz UVPCONVKFYRLKZ-CABCVRRESA-N 2 0 299.459 1.095 10 0 CDAERP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)CC[NH+]1CC[C@H](F)C1 ZINC001363379481 972126545 /nfs/dbraw/zinc/12/65/45/972126545.db2.gz GKLIFVYKJXYRDJ-MELADBBJSA-N 2 0 283.391 1.115 10 0 CDAERP Cc1cnc(C[NH2+][C@@H](C)CCNC(=O)C[N@H+](C)C(C)C)o1 ZINC001422172079 955812646 /nfs/dbraw/zinc/81/26/46/955812646.db2.gz KOPYMXKSOWMVHE-LBPRGKRZSA-N 2 0 296.415 1.308 10 0 CDAERP CC(C)[N@H+](C)CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001422172976 955813628 /nfs/dbraw/zinc/81/36/28/955813628.db2.gz CONWOBRYQXZXKT-GJZGRUSLSA-N 2 0 281.444 1.802 10 0 CDAERP C(C[NH+]1CCC([NH2+]C2CCOCC2)CC1)[C@@H]1CCCO1 ZINC001365329782 955905470 /nfs/dbraw/zinc/90/54/70/955905470.db2.gz SJWDKQHDGHLVEW-INIZCTEOSA-N 2 0 282.428 1.789 10 0 CDAERP CC(C)CC[N@H+](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001422824371 956387070 /nfs/dbraw/zinc/38/70/70/956387070.db2.gz PDYLWWMGQHCTKZ-CQSZACIVSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)N[C@]2(C)C[NH+]3CCC2CC3)C1 ZINC001363475998 972193272 /nfs/dbraw/zinc/19/32/72/972193272.db2.gz OSGGVGPIDSCYSU-RHSMWYFYSA-N 2 0 293.455 1.707 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001366110978 956574502 /nfs/dbraw/zinc/57/45/02/956574502.db2.gz PDBFTODTYKOLEE-FDYHWXHSSA-N 2 0 271.380 1.066 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001366144700 956599896 /nfs/dbraw/zinc/59/98/96/956599896.db2.gz AGAHRSOBBSTPDO-XHSDSOJGSA-N 2 0 293.455 1.611 10 0 CDAERP CC(C)C[N@H+](C)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001494206669 972199658 /nfs/dbraw/zinc/19/96/58/972199658.db2.gz PXZQOSIZZIDAKA-UHFFFAOYSA-N 2 0 283.460 1.765 10 0 CDAERP C[NH+](C)CCC(=O)NCC1([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001423277084 956701432 /nfs/dbraw/zinc/70/14/32/956701432.db2.gz XSXFBVAAMBFISE-QLFBSQMISA-N 2 0 293.455 1.613 10 0 CDAERP C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]C/C=C\Cl ZINC001366509875 956890109 /nfs/dbraw/zinc/89/01/09/956890109.db2.gz ORISZMSSFRZPRK-FVLQNALFSA-N 2 0 273.808 1.175 10 0 CDAERP CC(C)[NH2+][C@@H](C)[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001329201611 956954161 /nfs/dbraw/zinc/95/41/61/956954161.db2.gz DHEQYULRZKDZOA-KBPBESRZSA-N 2 0 269.433 1.754 10 0 CDAERP CC(C)[NH2+][C@@H](C)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001329203380 956956250 /nfs/dbraw/zinc/95/62/50/956956250.db2.gz SNVBIBHAESOIEQ-KBPBESRZSA-N 2 0 269.433 1.754 10 0 CDAERP CC[N@H+](CCNC(=O)CC[C@@H]1CCC[NH+]1C)CC(C)C ZINC001366617907 957040602 /nfs/dbraw/zinc/04/06/02/957040602.db2.gz UFMSGONUHFEWQP-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[N@H+](CCCNC(=O)C[NH+]1CC[C@@H](C)C1)C1CC1 ZINC001316922526 957125885 /nfs/dbraw/zinc/12/58/85/957125885.db2.gz BCSBUDKJGFUTDT-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP C[N@H+](CCF)C[C@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001366883630 957244565 /nfs/dbraw/zinc/24/45/65/957244565.db2.gz UTLXNMYBSZZGAF-HUUCEWRRSA-N 2 0 299.434 1.611 10 0 CDAERP CN(CCF)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001424707422 957313451 /nfs/dbraw/zinc/31/34/51/957313451.db2.gz PDDBFQDUQZTQST-UONOGXRCSA-N 2 0 285.407 1.363 10 0 CDAERP CC(C)(C)[NH+]1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001331922377 957336663 /nfs/dbraw/zinc/33/66/63/957336663.db2.gz IVYIUDLQEWCUCE-UHFFFAOYSA-N 2 0 265.401 1.025 10 0 CDAERP CC(C)C[NH2+]CCN(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001317600416 957591339 /nfs/dbraw/zinc/59/13/39/957591339.db2.gz MCPUAIPEZIUGNT-UHFFFAOYSA-N 2 0 299.459 1.049 10 0 CDAERP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]C/C=C\Cl ZINC001425685826 957598190 /nfs/dbraw/zinc/59/81/90/957598190.db2.gz SCWGGPHWQNDBCV-GJJFQZOLSA-N 2 0 273.808 1.127 10 0 CDAERP CCCC[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001317664605 957625203 /nfs/dbraw/zinc/62/52/03/957625203.db2.gz LBTJPFVKJNBLGQ-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP COCC[N@H+](C)CCN(C(=O)C1CC[NH+](C)CC1)C(C)C ZINC001426118243 957693893 /nfs/dbraw/zinc/69/38/93/957693893.db2.gz QLBMKGORWSKGFL-UHFFFAOYSA-N 2 0 299.459 1.143 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CC[C@H](C[N@H+](C)CCF)C1 ZINC001317856662 957698366 /nfs/dbraw/zinc/69/83/66/957698366.db2.gz IJRKHIWEPKBNDT-CQSZACIVSA-N 2 0 287.423 1.468 10 0 CDAERP CC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001317981023 957838924 /nfs/dbraw/zinc/83/89/24/957838924.db2.gz DFIFTAXBNBICCK-YVACAVLKSA-N 2 0 281.444 1.875 10 0 CDAERP CC[NH2+]C[C@H](C)N(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001367382118 957981879 /nfs/dbraw/zinc/98/18/79/957981879.db2.gz NAIYDWVFRQLVMI-SWLSCSKDSA-N 2 0 287.423 1.655 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001367524564 958100644 /nfs/dbraw/zinc/10/06/44/958100644.db2.gz XWBMIGIKHHJRGE-AWEZNQCLSA-N 2 0 299.434 1.753 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001319281060 958472523 /nfs/dbraw/zinc/47/25/23/958472523.db2.gz CMSVFOZBBASZNR-CYBMUJFWSA-N 2 0 255.406 1.080 10 0 CDAERP C[C@H](C[NH2+]CCCC1CCC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001319574797 958636584 /nfs/dbraw/zinc/63/65/84/958636584.db2.gz NMULWOWZTSGFSU-GDBMZVCRSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCOC1CCC1 ZINC001495035396 972381466 /nfs/dbraw/zinc/38/14/66/972381466.db2.gz ATTDYIBYBIVOMV-UKRRQHHQSA-N 2 0 297.443 1.134 10 0 CDAERP O=C(NCC1([NH2+]CC2CCC2)CCC1)C12CC[NH+](CC1)C2 ZINC001368486418 958895086 /nfs/dbraw/zinc/89/50/86/958895086.db2.gz MBRYXDIHYRLRSA-UHFFFAOYSA-N 2 0 291.439 1.511 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001368665564 959026410 /nfs/dbraw/zinc/02/64/10/959026410.db2.gz SCAQETKHTOQYEP-ZIAGYGMSSA-N 2 0 299.434 1.799 10 0 CDAERP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)CC[NH+](C)C)oc1C ZINC001320536508 959230582 /nfs/dbraw/zinc/23/05/82/959230582.db2.gz ZTTZRGWINLFYAH-NSHDSACASA-N 2 0 296.415 1.228 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@@H](C)CC[NH2+]CC1CC1)[NH+](C)C ZINC001320615515 959275681 /nfs/dbraw/zinc/27/56/81/959275681.db2.gz UFLDNHCDULKMDH-JSGCOSHPSA-N 2 0 269.433 1.467 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001371215095 972418851 /nfs/dbraw/zinc/41/88/51/972418851.db2.gz XDWRVHUDEOKATA-KBPBESRZSA-N 2 0 271.449 1.713 10 0 CDAERP CC(C)[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001369215442 959536268 /nfs/dbraw/zinc/53/62/68/959536268.db2.gz UXQJSRCDWOMGBC-BPUTZDHNSA-N 2 0 295.471 1.952 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC2CCC2)CC[N@@H+]1C ZINC001369250483 959579025 /nfs/dbraw/zinc/57/90/25/959579025.db2.gz UWEQYWNDEBLDCH-CWRNSKLLSA-N 2 0 295.471 1.953 10 0 CDAERP C[NH+](C)CCCC(=O)N1C[C@@H]([NH2+]CC2CCC2)C(C)(C)C1 ZINC001369433183 959682046 /nfs/dbraw/zinc/68/20/46/959682046.db2.gz DFLCLEATUYGMIZ-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP O=C(NC/C=C\C[NH2+]CC1CC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001321285287 959697148 /nfs/dbraw/zinc/69/71/48/959697148.db2.gz KNAGOUMUAUJEKG-GTVVJKOOSA-N 2 0 291.439 1.675 10 0 CDAERP C[C@H](NC(=O)CCC[NH+](C)C)C1CC[NH+](CC2CC2)CC1 ZINC001369570435 959765148 /nfs/dbraw/zinc/76/51/48/959765148.db2.gz MMQFNPWZNICFKB-AWEZNQCLSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CCC2CC2)C1 ZINC001369868988 959900046 /nfs/dbraw/zinc/90/00/46/959900046.db2.gz HGGRZDADEUHLME-HNNXBMFYSA-N 2 0 281.444 1.707 10 0 CDAERP CCCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001321867077 959993616 /nfs/dbraw/zinc/99/36/16/959993616.db2.gz PUHPFPZZGWIZFX-KBPBESRZSA-N 2 0 269.433 1.755 10 0 CDAERP CC[NH2+]CC[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001495381433 972484333 /nfs/dbraw/zinc/48/43/33/972484333.db2.gz WWNVWZTTZNRPFY-OAHLLOKOSA-N 2 0 283.460 1.957 10 0 CDAERP CC[NH2+][C@@H](C)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001371366029 972489161 /nfs/dbraw/zinc/48/91/61/972489161.db2.gz UHMPZJUGTVYKHD-SMDDNHRTSA-N 2 0 273.396 1.313 10 0 CDAERP CCC(CC)C[NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001322831339 960335030 /nfs/dbraw/zinc/33/50/30/960335030.db2.gz JVMHSKXLXURYJD-HNNXBMFYSA-N 2 0 283.460 1.812 10 0 CDAERP Cc1cc(C[NH2+]CCCN(C)C(=O)C[NH+]2CCCC2)no1 ZINC001322835063 960337906 /nfs/dbraw/zinc/33/79/06/960337906.db2.gz JAEUNYAYALPGSL-UHFFFAOYSA-N 2 0 294.399 1.017 10 0 CDAERP CCC[NH2+]C[C@@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001322998516 960399209 /nfs/dbraw/zinc/39/92/09/960399209.db2.gz AXSWANUDMMNENN-HUUCEWRRSA-N 2 0 279.428 1.223 10 0 CDAERP CC[NH+](CC)C1CCN(C(=O)CC[N@@H+]2CC[C@H](F)C2)CC1 ZINC001433664437 960496327 /nfs/dbraw/zinc/49/63/27/960496327.db2.gz KQEWLPPCANHSIK-AWEZNQCLSA-N 2 0 299.434 1.753 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCCC2)C[N@@H+]1C1CC1 ZINC001433807265 960637913 /nfs/dbraw/zinc/63/79/13/960637913.db2.gz MSBMITXDBAAVOR-CHWSQXEVSA-N 2 0 279.428 1.602 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCCC2)C1 ZINC001433887142 960735053 /nfs/dbraw/zinc/73/50/53/960735053.db2.gz GJPPTYBLDCRYGG-CQSZACIVSA-N 2 0 281.444 1.850 10 0 CDAERP CC[C@H](C)C[N@@H+]1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001418626448 960821583 /nfs/dbraw/zinc/82/15/83/960821583.db2.gz FNXAYZRSHYYCBH-LSDHHAIUSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)N2CCC3(C[NH+](C)C3)C2)C1 ZINC001433953735 960805515 /nfs/dbraw/zinc/80/55/15/960805515.db2.gz ZPUTXZDYVCTTFG-KBPBESRZSA-N 2 0 279.428 1.271 10 0 CDAERP C[N@H+](CCCC[NH+]1CCCCC1)CCNC(=O)C1CC1 ZINC001560100575 960857993 /nfs/dbraw/zinc/85/79/93/960857993.db2.gz PNJVRTOFNGHAPO-UHFFFAOYSA-N 2 0 281.444 1.711 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)CC(C)(C)C1 ZINC001418830528 961071736 /nfs/dbraw/zinc/07/17/36/961071736.db2.gz WQDAFQRHPBTZTC-AWEZNQCLSA-N 2 0 283.460 1.953 10 0 CDAERP CCCN1CC(NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001418978898 961219448 /nfs/dbraw/zinc/21/94/48/961219448.db2.gz IFHOCXSFEAFDBL-UHFFFAOYSA-N 2 0 281.444 1.850 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001324212631 961239394 /nfs/dbraw/zinc/23/93/94/961239394.db2.gz GRFYRKOCYIMNOK-GJZGRUSLSA-N 2 0 281.444 1.851 10 0 CDAERP O=C(C[NH+]1CCCC1)NCC1C[NH+](CCCC2CCC2)C1 ZINC001419038696 961292105 /nfs/dbraw/zinc/29/21/05/961292105.db2.gz RFOHYLZIPHPMOD-UHFFFAOYSA-N 2 0 293.455 1.711 10 0 CDAERP CCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001419151082 961433213 /nfs/dbraw/zinc/43/32/13/961433213.db2.gz RFLUNLGDWPUGLP-MRXNPFEDSA-N 2 0 293.455 1.805 10 0 CDAERP CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)[NH2+]Cc1ccns1 ZINC001419205579 961503454 /nfs/dbraw/zinc/50/34/54/961503454.db2.gz DPNVRFZCDXOMOO-DGCLKSJQSA-N 2 0 298.456 1.468 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCN1CCC([NH2+]C2CCOCC2)CC1 ZINC001434488379 961515741 /nfs/dbraw/zinc/51/57/41/961515741.db2.gz YSDIBLSXVLEPMZ-QGZVFWFLSA-N 2 0 295.471 1.704 10 0 CDAERP C[C@H]1OCC[C@@H]1C[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001434510091 961584741 /nfs/dbraw/zinc/58/47/41/961584741.db2.gz QDNYLABVRSVPBI-HZPDHXFCSA-N 2 0 296.455 1.724 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]([NH2+]CC2CC2)C2CC2)C1 ZINC001419315580 961601616 /nfs/dbraw/zinc/60/16/16/961601616.db2.gz SLTSNXZDJPIDRH-DZGCQCFKSA-N 2 0 279.428 1.223 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cncs2)C1)[NH+](C)C ZINC001419410621 961668718 /nfs/dbraw/zinc/66/87/18/961668718.db2.gz DQMASLUYXWMWCC-GVXVVHGQSA-N 2 0 296.440 1.220 10 0 CDAERP Cc1ncc(C[NH2+][C@H](C)CNC(=O)CCC[NH+](C)C)s1 ZINC001419828935 962138191 /nfs/dbraw/zinc/13/81/91/962138191.db2.gz ZUMTTWYOPSVGIX-LLVKDONJSA-N 2 0 298.456 1.388 10 0 CDAERP C[N@@H+]1C[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C(C)(C)C1 ZINC001420015774 962373770 /nfs/dbraw/zinc/37/37/70/962373770.db2.gz OQAKIKPCAYXZKN-MLGOLLRUSA-N 2 0 299.434 1.655 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NC[C@H]([NH2+]CCF)C2CC2)CC[N@@H+]1C ZINC001436813276 962435179 /nfs/dbraw/zinc/43/51/79/962435179.db2.gz PUYFCCUNQGURDH-UBHSHLNASA-N 2 0 285.407 1.171 10 0 CDAERP CC(C)[NH+](C)CC(=O)N1[C@@H]2CC[C@H]1C[N@@H+](CC[C@H](C)F)C2 ZINC001436861139 962465385 /nfs/dbraw/zinc/46/53/85/962465385.db2.gz MVDMGTFIZUPLBO-SOUVJXGZSA-N 2 0 299.434 1.750 10 0 CDAERP Cc1nc(C[NH2+][C@H](C)CCNC(=O)C[NH+]2CCCC2)co1 ZINC001420167276 962512546 /nfs/dbraw/zinc/51/25/46/962512546.db2.gz ZRNCVSDYLFRCHI-GFCCVEGCSA-N 2 0 294.399 1.063 10 0 CDAERP C[C@H](C[NH2+]CC1CCCC1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001420314214 962724762 /nfs/dbraw/zinc/72/47/62/962724762.db2.gz QEELIRXSMYGXBF-HIFRSBDPSA-N 2 0 281.444 1.755 10 0 CDAERP C[N@H+](CCCF)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001437358981 962832194 /nfs/dbraw/zinc/83/21/94/962832194.db2.gz TYCYONUVMXBIGR-ZIAGYGMSSA-N 2 0 285.407 1.221 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001437391603 962852589 /nfs/dbraw/zinc/85/25/89/962852589.db2.gz JGTGFMBOKPSQCD-ZIAGYGMSSA-N 2 0 299.434 1.847 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001437399280 962861610 /nfs/dbraw/zinc/86/16/10/962861610.db2.gz CLOCRRXVXHLSII-ZIAGYGMSSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccsc1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001420405791 962869352 /nfs/dbraw/zinc/86/93/52/962869352.db2.gz SEOQJOAGOUAIEH-AAEUAGOBSA-N 2 0 281.425 1.437 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001420565391 963065741 /nfs/dbraw/zinc/06/57/41/963065741.db2.gz FGNLMFWIPVPUQJ-QLFBSQMISA-N 2 0 283.460 1.953 10 0 CDAERP CC[N@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001420688158 963182082 /nfs/dbraw/zinc/18/20/82/963182082.db2.gz YLYFKAXJWSJBLH-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]CC2CCCC2)C2CC2)C1 ZINC001420788868 963241487 /nfs/dbraw/zinc/24/14/87/963241487.db2.gz OMXYTVXMNZCNBX-JKSUJKDBSA-N 2 0 293.455 1.613 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCc2cccs2)C1 ZINC001438191641 963356736 /nfs/dbraw/zinc/35/67/36/963356736.db2.gz ITSVFPUASBNCFX-ZDUSSCGKSA-N 2 0 295.452 1.433 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[NH2+]CC1CC1 ZINC001438300828 963412010 /nfs/dbraw/zinc/41/20/10/963412010.db2.gz HPYMIYCIHSYSIY-CABCVRRESA-N 2 0 281.444 1.754 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@@]2(C)CC[NH+](CCC3CC3)C2)C1 ZINC001421224836 963508770 /nfs/dbraw/zinc/50/87/70/963508770.db2.gz RGOZNDDUYQZKPZ-RDJZCZTQSA-N 2 0 293.455 1.709 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC001438753172 963541496 /nfs/dbraw/zinc/54/14/96/963541496.db2.gz MAYOIGBNMQFYEQ-CABCVRRESA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]C[C@H]1CCOC1 ZINC001438848609 963574167 /nfs/dbraw/zinc/57/41/67/963574167.db2.gz KIWQRNRYXKHTIZ-CABCVRRESA-N 2 0 299.459 1.094 10 0 CDAERP Cc1ncccc1C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001439197915 963673037 /nfs/dbraw/zinc/67/30/37/963673037.db2.gz TWBXXEDUKPPFJZ-WFASDCNBSA-N 2 0 290.411 1.079 10 0 CDAERP C[C@@H](C[NH2+]CC1CCC(C)CC1)NC(=O)CC[NH+](C)C ZINC001439246380 963690344 /nfs/dbraw/zinc/69/03/44/963690344.db2.gz SDFMMVSUVOEKJS-SLTAFYQDSA-N 2 0 283.460 1.859 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CCCF ZINC001439325872 963725207 /nfs/dbraw/zinc/72/52/07/963725207.db2.gz AYCFMJHLRPOKSO-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@H](C[N@H+](C)Cc1ccc(F)cc1)NC(=O)CC[NH+](C)C ZINC001439367022 963739780 /nfs/dbraw/zinc/73/97/80/963739780.db2.gz ULCVEZBMUCFGKI-CYBMUJFWSA-N 2 0 295.402 1.714 10 0 CDAERP CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001440280351 963968861 /nfs/dbraw/zinc/96/88/61/963968861.db2.gz XIFBFMVTTKJYND-HUUCEWRRSA-N 2 0 281.444 1.659 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)C1C[NH+](CCC2CCCC2)C1 ZINC001441186199 964413386 /nfs/dbraw/zinc/41/33/86/964413386.db2.gz ZJONWBOZEIJSNM-CQSZACIVSA-N 2 0 295.471 1.955 10 0 CDAERP Cc1cnc(C[NH2+][C@H]2C[C@@H](NC(=O)CC[NH+](C)C)C2)s1 ZINC001441502129 964555779 /nfs/dbraw/zinc/55/57/79/964555779.db2.gz FOPWJXADSWALMD-TXEJJXNPSA-N 2 0 296.440 1.140 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccnc2)C1 ZINC001441507912 964561982 /nfs/dbraw/zinc/56/19/82/964561982.db2.gz STPGYUXZSSORQQ-GASCZTMLSA-N 2 0 290.411 1.160 10 0 CDAERP O=C(CC[N@H+]1CC[C@H](F)C1)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC001441547065 964582103 /nfs/dbraw/zinc/58/21/03/964582103.db2.gz NHQKYESUHORXCH-IHRRRGAJSA-N 2 0 283.391 1.163 10 0 CDAERP C[C@@H]1[C@H]([NH2+]C/C=C\Cl)CCN1C(=O)CC[NH+](C)C ZINC001441816012 964731261 /nfs/dbraw/zinc/73/12/61/964731261.db2.gz CVXVHXHNRFPDJT-MGNMTHHWSA-N 2 0 273.808 1.270 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1ccccn1 ZINC001442070933 964857239 /nfs/dbraw/zinc/85/72/39/964857239.db2.gz XEFDZTMURARMFS-CYBMUJFWSA-N 2 0 278.400 1.016 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC001346028836 964893619 /nfs/dbraw/zinc/89/36/19/964893619.db2.gz PWTJJHRKMRUJAT-YNEHKIRRSA-N 2 0 253.390 1.152 10 0 CDAERP CC(C)[NH2+]C[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C(C)(C)C ZINC001442191051 964904076 /nfs/dbraw/zinc/90/40/76/964904076.db2.gz XDMYBZPXDLBOQT-UONOGXRCSA-N 2 0 283.460 1.857 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001442897184 965266164 /nfs/dbraw/zinc/26/61/64/965266164.db2.gz WRHZVQXERZQWFM-OLZOCXBDSA-N 2 0 273.396 1.124 10 0 CDAERP CCC[N@H+](CCF)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001442948782 965292118 /nfs/dbraw/zinc/29/21/18/965292118.db2.gz CHPLWLGQWJICAH-UHFFFAOYSA-N 2 0 299.434 1.660 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC001443202540 965394164 /nfs/dbraw/zinc/39/41/64/965394164.db2.gz KTSQXGZJMFYVPG-KBPBESRZSA-N 2 0 269.433 1.517 10 0 CDAERP C[C@H](F)CC[NH+]1CC(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001443588246 965528676 /nfs/dbraw/zinc/52/86/76/965528676.db2.gz JVSULWJZAVBBMZ-LBPRGKRZSA-N 2 0 285.407 1.267 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001347597632 965611423 /nfs/dbraw/zinc/61/14/23/965611423.db2.gz QHCOQTFOMBNQMZ-GFCCVEGCSA-N 2 0 267.417 1.460 10 0 CDAERP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]C/C(Cl)=C/Cl ZINC001443981388 965699557 /nfs/dbraw/zinc/69/95/57/965699557.db2.gz CERXHEFOJMQZLV-BRNRAETOSA-N 2 0 296.242 1.742 10 0 CDAERP CC(C)C[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC001444897094 965992835 /nfs/dbraw/zinc/99/28/35/965992835.db2.gz UHNDVTKZCHLRSA-CABCVRRESA-N 2 0 283.460 1.857 10 0 CDAERP Cc1oncc1C[NH2+][C@@H](CNC(=O)CC[NH+](C)C)C(C)C ZINC001444900167 965995509 /nfs/dbraw/zinc/99/55/09/965995509.db2.gz JSQQSXNTQGTAFQ-AWEZNQCLSA-N 2 0 296.415 1.165 10 0 CDAERP Cc1ccc(C[NH2+]C[C@H](C)NC(=O)C[NH+]2CCCC2)cc1 ZINC001445648667 966265012 /nfs/dbraw/zinc/26/50/12/966265012.db2.gz OZMDRSPZYFABTQ-HNNXBMFYSA-N 2 0 289.423 1.685 10 0 CDAERP CC(C)CC[NH+]1CC([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001448362358 967083208 /nfs/dbraw/zinc/08/32/08/967083208.db2.gz RJHMYFPADHSVGK-AWEZNQCLSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)[NH2+][C@@H](CO)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001448854077 967285647 /nfs/dbraw/zinc/28/56/47/967285647.db2.gz CBTREOAOLPBMTD-CYBMUJFWSA-N 2 0 299.459 1.115 10 0 CDAERP CC[N@@H+]1CCN(C(=O)[C@H](C)CC[NH+](C)C)[C@@H](C)C1 ZINC001449341100 967438271 /nfs/dbraw/zinc/43/82/71/967438271.db2.gz YGDKDUJIUCQTAN-OLZOCXBDSA-N 2 0 255.406 1.127 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)NCCCCc1cc[nH+]c(N)c1 ZINC001457431602 969163096 /nfs/dbraw/zinc/16/30/96/969163096.db2.gz ZOTYMKHMHICRGQ-AWEZNQCLSA-N 2 0 290.411 1.587 10 0 CDAERP C[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CCC1 ZINC001457819881 969225300 /nfs/dbraw/zinc/22/53/00/969225300.db2.gz KLNBQALQJJSSLY-QWHCGFSZSA-N 2 0 267.417 1.365 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H](C)CC[NH+](C)C ZINC001464880098 969829444 /nfs/dbraw/zinc/82/94/44/969829444.db2.gz HYVXNAFFUDDPQQ-QWHCGFSZSA-N 2 0 257.422 1.421 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001466399977 969952037 /nfs/dbraw/zinc/95/20/37/969952037.db2.gz ZUBHCSGMFWJJFS-KGLIPLIRSA-N 2 0 269.433 1.517 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1 ZINC001468029852 970118248 /nfs/dbraw/zinc/11/82/48/970118248.db2.gz XBPWEBVCAFZGIM-BYNSBNAKSA-N 2 0 279.428 1.125 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC001361612785 970338956 /nfs/dbraw/zinc/33/89/56/970338956.db2.gz DCEXZNZQGORNSC-AWEZNQCLSA-N 2 0 293.455 1.850 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC001361680212 970412841 /nfs/dbraw/zinc/41/28/41/970412841.db2.gz PXDZQRBVUXUHFZ-OAHLLOKOSA-N 2 0 291.439 1.822 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC001361765341 970506436 /nfs/dbraw/zinc/50/64/36/970506436.db2.gz LFYVKEZXERCXFX-AWEZNQCLSA-N 2 0 291.439 1.952 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]CCC1CC1 ZINC001495652679 972577636 /nfs/dbraw/zinc/57/76/36/972577636.db2.gz CTXQWLORBDFQFR-GXTWGEPZSA-N 2 0 267.417 1.223 10 0 CDAERP CC[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1conc1C)[NH+](C)C ZINC001371869842 972662798 /nfs/dbraw/zinc/66/27/98/972662798.db2.gz OWGUFJHCQNHMAL-SMDDNHRTSA-N 2 0 296.415 1.308 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)CC1CC1 ZINC001372152916 972820028 /nfs/dbraw/zinc/82/00/28/972820028.db2.gz GBQNARUATYKMRW-GJZGRUSLSA-N 2 0 279.428 1.461 10 0 CDAERP CC(C)C[C@H](C[NH2+]C(C)C)NC(=O)C[NH+]1CCCC1 ZINC001496295536 972875929 /nfs/dbraw/zinc/87/59/29/972875929.db2.gz MIBWORCFWWXOAT-CQSZACIVSA-N 2 0 269.433 1.611 10 0 CDAERP O=C(CC[N@H+]1CC[C@H](F)C1)NC[C@H]1CC[NH+](C2CC2)C1 ZINC001417615060 973199873 /nfs/dbraw/zinc/19/98/73/973199873.db2.gz ALJIURXXXRZHTH-OLZOCXBDSA-N 2 0 283.391 1.021 10 0 CDAERP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001417796622 973391171 /nfs/dbraw/zinc/39/11/71/973391171.db2.gz XUQOWOUQLWGMMS-KFWWJZLASA-N 2 0 283.460 1.952 10 0 CDAERP CCC[NH2+]C/C=C\CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001497586520 973422782 /nfs/dbraw/zinc/42/27/82/973422782.db2.gz WGXOYYZPSGLWDG-VQTKUKTRSA-N 2 0 265.401 1.000 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]C(C)C ZINC001497600153 973428540 /nfs/dbraw/zinc/42/85/40/973428540.db2.gz POTNSLGVIINVAU-GXMNPTEKSA-N 2 0 267.417 1.531 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001418124563 973599614 /nfs/dbraw/zinc/59/96/14/973599614.db2.gz QSIUONDRMZHYHH-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]C/C=C/Cl ZINC001418262388 973703961 /nfs/dbraw/zinc/70/39/61/973703961.db2.gz PIDZJBPQAZQPSJ-NNNHXZLVSA-N 2 0 287.835 1.708 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001418345144 973758805 /nfs/dbraw/zinc/75/88/05/973758805.db2.gz ROBKNFWRLJDBON-LSDHHAIUSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CCC(C)C)CCO1)[NH+](C)C ZINC001374147607 973795608 /nfs/dbraw/zinc/79/56/08/973795608.db2.gz VJGJKJHYFYSFBC-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP COCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001498327737 973832744 /nfs/dbraw/zinc/83/27/44/973832744.db2.gz YVDKPXLLMVBNLU-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@@H](C(=O)N(C)CCC[NH2+]CCC(F)(F)F)[NH+](C)C ZINC001498614010 973998836 /nfs/dbraw/zinc/99/88/36/973998836.db2.gz UUPPUPXZIDCNGF-NSHDSACASA-N 2 0 297.365 1.717 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCCOC ZINC001498992682 974152873 /nfs/dbraw/zinc/15/28/73/974152873.db2.gz RGYZMBBSAUFQIN-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1csc(C)c1)[NH+](C)C ZINC001374961913 974191477 /nfs/dbraw/zinc/19/14/77/974191477.db2.gz NLAVBLYACHJFRQ-SMDDNHRTSA-N 2 0 297.468 1.991 10 0 CDAERP CC(C)C[NH+]1CC(N(C)C(=O)CCC[NH+](C)C)C1 ZINC001499737869 974296038 /nfs/dbraw/zinc/29/60/38/974296038.db2.gz XDMUZCMPSUHYKG-UHFFFAOYSA-N 2 0 255.406 1.127 10 0 CDAERP C[C@H](F)CC[NH2+]C1(CNC(=O)CCn2ccnc2)CC1 ZINC001375460973 974388868 /nfs/dbraw/zinc/38/88/68/974388868.db2.gz WWCCPZREKLUFDI-LBPRGKRZSA-N 2 0 282.363 1.260 10 0 CDAERP C[NH+](C)CCC(=O)NCC1([NH2+]Cc2ccsc2)CC1 ZINC001375463404 974391482 /nfs/dbraw/zinc/39/14/82/974391482.db2.gz DTCHGZZQKJDKHV-UHFFFAOYSA-N 2 0 281.425 1.438 10 0 CDAERP Cc1ccc(C[NH2+]C2(CNC(=O)CC[NH+](C)C)CC2)cc1 ZINC001375465863 974393854 /nfs/dbraw/zinc/39/38/54/974393854.db2.gz NZRYKWVJOFLEQC-UHFFFAOYSA-N 2 0 289.423 1.685 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH2+]CC3CCCC3)CC2)C1 ZINC001375523712 974412363 /nfs/dbraw/zinc/41/23/63/974412363.db2.gz WQFWLHSJVRERTR-OAHLLOKOSA-N 2 0 293.455 1.757 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CC[C@@](C)(C[NH2+]CCF)C2)CC[N@@H+]1C ZINC001500372070 974428865 /nfs/dbraw/zinc/42/88/65/974428865.db2.gz GSRMAWMJWMYKSK-DZKIICNBSA-N 2 0 299.434 1.514 10 0 CDAERP O=C(CCC[NH+]1CCCC1)NC[C@H]1CC[C@@H]([NH2+]CCF)C1 ZINC001375584125 974429964 /nfs/dbraw/zinc/42/99/64/974429964.db2.gz VFQDFTBVWBMRTM-LSDHHAIUSA-N 2 0 299.434 1.706 10 0 CDAERP C[C@@]1(C[NH2+]C/C=C/Cl)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001500402524 974432348 /nfs/dbraw/zinc/43/23/48/974432348.db2.gz UUHJCUQJUAMGPI-DRDHIDPGSA-N 2 0 299.846 1.663 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001375756676 974469053 /nfs/dbraw/zinc/46/90/53/974469053.db2.gz LJLLTJXJYUAKSR-UONOGXRCSA-N 2 0 299.434 1.799 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[NH+](CCCF)C2 ZINC001376315015 974627670 /nfs/dbraw/zinc/62/76/70/974627670.db2.gz PYPOLNNDIROGNT-ZNMIVQPWSA-N 2 0 299.434 1.657 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]([NH2+]C/C=C/Cl)C2)C1 ZINC001376334809 974633375 /nfs/dbraw/zinc/63/33/75/974633375.db2.gz AFXCQFGHVFUCBV-MHDDQSTRSA-N 2 0 285.819 1.271 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001376375764 974645119 /nfs/dbraw/zinc/64/51/19/974645119.db2.gz OITATKJRKPEDNO-AAVRWANBSA-N 2 0 285.407 1.456 10 0 CDAERP CCC[N@@H+]1Cc2ccc(CNC(=O)Cn3ccnc3)cc2C1 ZINC001502653728 974761179 /nfs/dbraw/zinc/76/11/79/974761179.db2.gz SNDKKHMYJZMDDL-UHFFFAOYSA-N 2 0 298.390 1.925 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001502987755 974807160 /nfs/dbraw/zinc/80/71/60/974807160.db2.gz MTDKGXRICJJYHW-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001376940765 974824827 /nfs/dbraw/zinc/82/48/27/974824827.db2.gz LRJPETHOPFXTPR-DZGCQCFKSA-N 2 0 299.434 1.514 10 0 CDAERP CC[C@@H](C(=O)NC1CC(C[NH2+]CCC2CC2)C1)[NH+](C)C ZINC001505529134 974901411 /nfs/dbraw/zinc/90/14/11/974901411.db2.gz DGZYZXSAFGDKSF-NRXISQOPSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001377278338 974955542 /nfs/dbraw/zinc/95/55/42/974955542.db2.gz XYZWHFIPVNKNIY-CQSZACIVSA-N 2 0 281.444 1.707 10 0 CDAERP Cc1ncoc1C[NH2+][C@H](C)[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001505679503 974960840 /nfs/dbraw/zinc/96/08/40/974960840.db2.gz VRKDWYSUPFDRNM-VXGBXAGGSA-N 2 0 296.415 1.308 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC2(C[NH2+]CCF)CCCCC2)C1 ZINC001506523596 975173585 /nfs/dbraw/zinc/17/35/85/975173585.db2.gz XGKNLSUWBMGHOR-CQSZACIVSA-N 2 0 299.434 1.706 10 0 CDAERP CCC[NH+]1CC([C@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001506664263 975199164 /nfs/dbraw/zinc/19/91/64/975199164.db2.gz KDONYACMPIPBFA-STQMWFEESA-N 2 0 267.417 1.175 10 0 CDAERP CC(C)[N@@H+]1C[C@H](NC(=O)C[NH+](C)C2CCC2)C(C)(C)C1 ZINC001506743818 975214459 /nfs/dbraw/zinc/21/44/59/975214459.db2.gz YHUVQYZJJAKOGG-AWEZNQCLSA-N 2 0 281.444 1.706 10 0 CDAERP C[N@H+](CC(=O)N[C@H]1C[C@H](C[NH2+]CCCF)C1)C1CCC1 ZINC001506887010 975246594 /nfs/dbraw/zinc/24/65/94/975246594.db2.gz YVGVLZDYKIDORK-JOCQHMNTSA-N 2 0 285.407 1.315 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CC[C@H]1CCCCO1 ZINC001378125725 975252904 /nfs/dbraw/zinc/25/29/04/975252904.db2.gz XXLXSMLLNCXMRR-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP CC/C=C\CC[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001506905358 975253858 /nfs/dbraw/zinc/25/38/58/975253858.db2.gz HLSBZIVYNSGRPS-OTEKMADUSA-N 2 0 293.455 1.923 10 0 CDAERP CCC(CC)C[NH2+][C@H](CC)CNC(=O)[C@H]1CN(C)CCO1 ZINC001378233269 975300585 /nfs/dbraw/zinc/30/05/85/975300585.db2.gz OLOJVTSYFMTOJN-HUUCEWRRSA-N 2 0 299.459 1.238 10 0 CDAERP CC[C@H](C)C[NH+]1CC([C@@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001378524646 975376460 /nfs/dbraw/zinc/37/64/60/975376460.db2.gz AHXLILRQSHTPAJ-UONOGXRCSA-N 2 0 295.471 1.953 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H]2C[NH+](C(C)C)C[C@@H]2C1 ZINC001378787523 975491693 /nfs/dbraw/zinc/49/16/93/975491693.db2.gz RZINYDHDMATVAD-OWCLPIDISA-N 2 0 295.471 1.953 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001388697525 975557917 /nfs/dbraw/zinc/55/79/17/975557917.db2.gz IRUDWCVZFPPEMJ-MELADBBJSA-N 2 0 297.418 1.315 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@H]2CC[NH+]2CC2CC2)C1 ZINC001397561246 975631593 /nfs/dbraw/zinc/63/15/93/975631593.db2.gz AEWIOLQJDZWDGN-UKRRQHHQSA-N 2 0 279.428 1.271 10 0 CDAERP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1ccns1 ZINC001379224957 975721724 /nfs/dbraw/zinc/72/17/24/975721724.db2.gz PNJASJOHLMZPOA-LLVKDONJSA-N 2 0 284.429 1.031 10 0 CDAERP C[N@H+](CCCF)C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001397807194 975728581 /nfs/dbraw/zinc/72/85/81/975728581.db2.gz PCLACLKVOZVCHR-GJZGRUSLSA-N 2 0 299.434 1.611 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]CCF ZINC001389326160 975766187 /nfs/dbraw/zinc/76/61/87/975766187.db2.gz RTDIQQZFNVBPPJ-ZIAGYGMSSA-N 2 0 287.423 1.655 10 0 CDAERP C[C@H](C[NH2+]CC1CC2(CCC2)C1)NC(=O)C[NH+]1CCCC1 ZINC001401672956 975780552 /nfs/dbraw/zinc/78/05/52/975780552.db2.gz YCNPYFQWVMLANW-CQSZACIVSA-N 2 0 293.455 1.757 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccns1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001401692440 975803455 /nfs/dbraw/zinc/80/34/55/975803455.db2.gz JTDOHKAJMBLSAM-WCQYABFASA-N 2 0 296.440 1.222 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](C(C)C)C1)[NH+]1CCCC1 ZINC001389515322 975881988 /nfs/dbraw/zinc/88/19/88/975881988.db2.gz ZUCGBNDNUBTKLQ-CABCVRRESA-N 2 0 281.444 1.706 10 0 CDAERP C[C@H](C[NH2+]Cc1nccs1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001405878042 975920275 /nfs/dbraw/zinc/92/02/75/975920275.db2.gz BHVZMYDQTNIMBF-VXGBXAGGSA-N 2 0 296.440 1.031 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH2+]C/C=C/Cl)C1CC1 ZINC001389673505 975948606 /nfs/dbraw/zinc/94/86/06/975948606.db2.gz XDBRUNGRDJGQMB-CSNMRHKHSA-N 2 0 299.846 1.708 10 0 CDAERP CC(C)CC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)[C@@H]1C ZINC001379649642 975986115 /nfs/dbraw/zinc/98/61/15/975986115.db2.gz GAKNVFYVQGYSQY-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]([NH2+]CC2CCCC2)C2CC2)C1 ZINC001398456894 975995265 /nfs/dbraw/zinc/99/52/65/975995265.db2.gz NGMKAGWQDLDBBR-JKSUJKDBSA-N 2 0 293.455 1.613 10 0 CDAERP Cc1ncccc1C[NH2+]C1(CNC(=O)CC[NH+](C)C)CC1 ZINC001401961295 976042024 /nfs/dbraw/zinc/04/20/24/976042024.db2.gz IDSDRYFUOQOHFM-UHFFFAOYSA-N 2 0 290.411 1.080 10 0 CDAERP CC[C@H](C)C[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001401965698 976045545 /nfs/dbraw/zinc/04/55/45/976045545.db2.gz VFHXNRWWFMDQIX-ZDUSSCGKSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC2)C1)[NH+](CC)CC ZINC001398624671 976081727 /nfs/dbraw/zinc/08/17/27/976081727.db2.gz LRCBCUOSTCSRNG-ZNMIVQPWSA-N 2 0 281.444 1.754 10 0 CDAERP O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@@H]([NH2+]CC2CCC2)C1 ZINC001398665330 976097429 /nfs/dbraw/zinc/09/74/29/976097429.db2.gz KIPQLZLFTGEOAX-IYBDPMFKSA-N 2 0 293.455 1.899 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[C@H](C)O2)C1 ZINC001398666864 976097971 /nfs/dbraw/zinc/09/79/71/976097971.db2.gz OFFKTJSDOULIJC-XQLPTFJDSA-N 2 0 297.443 1.131 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCC[NH+](CCCF)C2)C1 ZINC001398688635 976107029 /nfs/dbraw/zinc/10/70/29/976107029.db2.gz LJMUEOVYYSBGCK-CABCVRRESA-N 2 0 299.434 1.516 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001402141200 976141603 /nfs/dbraw/zinc/14/16/03/976141603.db2.gz MBWOMEFVGALCBC-ZBFHGGJFSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001402141099 976141989 /nfs/dbraw/zinc/14/19/89/976141989.db2.gz MBWOMEFVGALCBC-GDBMZVCRSA-N 2 0 283.460 1.955 10 0 CDAERP Cc1conc1CNC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001406378685 976157707 /nfs/dbraw/zinc/15/77/07/976157707.db2.gz KZVFYWAPMBDWOH-TZMCWYRMSA-N 2 0 294.399 1.062 10 0 CDAERP CCC[N@H+](C)CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001379999783 976175347 /nfs/dbraw/zinc/17/53/47/976175347.db2.gz CCICHVGWOZAHMS-INIZCTEOSA-N 2 0 295.471 1.907 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCC(C)C)C1 ZINC001402238007 976192533 /nfs/dbraw/zinc/19/25/33/976192533.db2.gz SUJLGZLASVRRFG-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]CCF)C1CC1 ZINC001402337140 976243503 /nfs/dbraw/zinc/24/35/03/976243503.db2.gz HHFGAPYMKWABMO-LSDHHAIUSA-N 2 0 299.434 1.703 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]CC2CC(C)C2)CC1 ZINC001380168306 976277018 /nfs/dbraw/zinc/27/70/18/976277018.db2.gz AYGOWFJTZMTEAY-UHFFFAOYSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@@H](C[N@H+](C)CC1CCCC1)NC(=O)[C@@H]1CCC[NH+]1C ZINC001406588149 976280346 /nfs/dbraw/zinc/28/03/46/976280346.db2.gz TUMDJRFNXUFUMZ-ZFWWWQNUSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC[C@@H](C)F)C1)[NH+](C)C ZINC001402451275 976290218 /nfs/dbraw/zinc/29/02/18/976290218.db2.gz JCQOYDRCCSJNCG-AGIUHOORSA-N 2 0 273.396 1.265 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001390537654 976358656 /nfs/dbraw/zinc/35/86/56/976358656.db2.gz XTAZGTHKIWINAR-NSHDSACASA-N 2 0 291.386 1.466 10 0 CDAERP Cc1ncoc1C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001390578078 976374052 /nfs/dbraw/zinc/37/40/52/976374052.db2.gz YTLGHMMKMTYUQY-ZDUSSCGKSA-N 2 0 294.399 1.014 10 0 CDAERP CC[C@@H](F)C[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001399278850 976408435 /nfs/dbraw/zinc/40/84/35/976408435.db2.gz LSEAMNRBRUIHTD-HUUCEWRRSA-N 2 0 299.434 1.753 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001402660852 976429889 /nfs/dbraw/zinc/42/98/89/976429889.db2.gz KVTKOVFLGSQXFV-HUUCEWRRSA-N 2 0 283.460 1.765 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC2([NH2+]CCF)CC2)C1 ZINC001406986347 976504618 /nfs/dbraw/zinc/50/46/18/976504618.db2.gz HZPZCPQQNCNWAI-QWHCGFSZSA-N 2 0 285.407 1.315 10 0 CDAERP CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+](C)CC ZINC001380759004 976538644 /nfs/dbraw/zinc/53/86/44/976538644.db2.gz RZAWGCSIFOIAHG-HUUCEWRRSA-N 2 0 281.444 1.804 10 0 CDAERP Cc1ncoc1C[NH2+]C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001407119448 976561929 /nfs/dbraw/zinc/56/19/29/976561929.db2.gz MHLNORHOJRLBJB-CYBMUJFWSA-N 2 0 294.399 1.015 10 0 CDAERP CC(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001402933717 976600102 /nfs/dbraw/zinc/60/01/02/976600102.db2.gz MCOJDDVBSGBKHQ-HZPDHXFCSA-N 2 0 295.471 1.907 10 0 CDAERP C[C@H](O)CCC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001380936226 976612100 /nfs/dbraw/zinc/61/21/00/976612100.db2.gz WAOVEITUFQWVSD-LSDHHAIUSA-N 2 0 299.459 1.070 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)CC[C@@H]1CCCCO1 ZINC001399656760 976626242 /nfs/dbraw/zinc/62/62/42/976626242.db2.gz RWUYKSBBHRFJFR-HNNXBMFYSA-N 2 0 299.459 1.334 10 0 CDAERP CC[C@@H](F)C[N@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001399724130 976658904 /nfs/dbraw/zinc/65/89/04/976658904.db2.gz VELKOJQAQFFWTG-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)[C@@H](C)[NH2+]CCF ZINC001403016479 976663887 /nfs/dbraw/zinc/66/38/87/976663887.db2.gz ISGXUDMZYJKVDW-CHWSQXEVSA-N 2 0 295.402 1.814 10 0 CDAERP C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)[C@H](C)[NH2+]CCF ZINC001403016491 976663927 /nfs/dbraw/zinc/66/39/27/976663927.db2.gz ISGXUDMZYJKVDW-QWHCGFSZSA-N 2 0 295.402 1.814 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001391059083 976668361 /nfs/dbraw/zinc/66/83/61/976668361.db2.gz PKUHTQTVTUMOGP-AWEZNQCLSA-N 2 0 281.444 1.851 10 0 CDAERP CC(C)CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001391069122 976670338 /nfs/dbraw/zinc/67/03/38/976670338.db2.gz LDZDMMINISRQFN-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@@H](C)[NH2+]CC1CCC1 ZINC001403066889 976690903 /nfs/dbraw/zinc/69/09/03/976690903.db2.gz WNXHJCWPAYBGOV-CHWSQXEVSA-N 2 0 281.444 1.611 10 0 CDAERP CC[C@@H](F)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001381199123 976714909 /nfs/dbraw/zinc/71/49/09/976714909.db2.gz GTISXZDCGHYSLM-MJBXVCDLSA-N 2 0 287.423 1.703 10 0 CDAERP CC(C)[NH2+]CCN(CCO)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001407651047 976724501 /nfs/dbraw/zinc/72/45/01/976724501.db2.gz FCIXTCUOZJJYEG-OAHLLOKOSA-N 2 0 299.459 1.070 10 0 CDAERP C[C@H]([NH2+]CCN(C)C(=O)CC[NH+](C)C)c1ccccc1F ZINC001391220278 976768344 /nfs/dbraw/zinc/76/83/44/976768344.db2.gz QPQCGBCEPCCDDS-ZDUSSCGKSA-N 2 0 295.402 1.886 10 0 CDAERP CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001391294979 976799970 /nfs/dbraw/zinc/79/99/70/976799970.db2.gz ITQXLNWBWNYASB-UKRRQHHQSA-N 2 0 279.428 1.176 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001381413260 976812334 /nfs/dbraw/zinc/81/23/34/976812334.db2.gz BRYGQYXKCHNDKF-GHMZBOCLSA-N 2 0 291.386 1.466 10 0 CDAERP CC[C@H](F)C[N@H+](C)[C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001381529319 976892871 /nfs/dbraw/zinc/89/28/71/976892871.db2.gz IFRJQVAAAFIVDF-STQMWFEESA-N 2 0 287.423 1.655 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC(C)([NH2+]CCF)CC1 ZINC001408091286 976911149 /nfs/dbraw/zinc/91/11/49/976911149.db2.gz DDRIKPLHFPNZLL-UHFFFAOYSA-N 2 0 273.396 1.268 10 0 CDAERP C[NH+](C)CC1(C(=O)NCC2C[NH+](CC3CCCC3)C2)CC1 ZINC001391495761 976919280 /nfs/dbraw/zinc/91/92/80/976919280.db2.gz JHRMVDZLEYEDTO-UHFFFAOYSA-N 2 0 293.455 1.566 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]CC2CCCC2)C1 ZINC001381964591 977102774 /nfs/dbraw/zinc/10/27/74/977102774.db2.gz GMYGHARYVWQZQI-SHTZXODSSA-N 2 0 281.444 1.613 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCF)[C@H]2C1 ZINC001403775708 977187427 /nfs/dbraw/zinc/18/74/27/977187427.db2.gz WNVGILRPKYADPE-IHRRRGAJSA-N 2 0 285.407 1.124 10 0 CDAERP C[C@@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]CC1CC(C)C1 ZINC001382158455 977193217 /nfs/dbraw/zinc/19/32/17/977193217.db2.gz UVDGUFZFWJPINI-SLTAFYQDSA-N 2 0 293.455 1.565 10 0 CDAERP CC(C)[NH2+]C[C@H](O)CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001403861215 977234201 /nfs/dbraw/zinc/23/42/01/977234201.db2.gz BEBYZKRFDRSWCE-GJZGRUSLSA-N 2 0 299.459 1.068 10 0 CDAERP CC(C)(C)[C@@H](C[NH2+]CC1CC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001382540169 977304644 /nfs/dbraw/zinc/30/46/44/977304644.db2.gz MJNUADXWHFIJGI-CQSZACIVSA-N 2 0 293.455 1.613 10 0 CDAERP CC[C@@H](F)CN(C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001392280245 977382357 /nfs/dbraw/zinc/38/23/57/977382357.db2.gz RCXUIFNWHHVOTH-MGPQQGTHSA-N 2 0 287.423 1.465 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001392316222 977404821 /nfs/dbraw/zinc/40/48/21/977404821.db2.gz AOBKBLNQPWNKSS-KGLIPLIRSA-N 2 0 287.423 1.467 10 0 CDAERP CC1CC(C[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C2CC2)C1 ZINC001392786697 977596262 /nfs/dbraw/zinc/59/62/62/977596262.db2.gz CEHPKJRMTFQKSP-SSDMNJCBSA-N 2 0 281.444 1.469 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001393110628 977705877 /nfs/dbraw/zinc/70/58/77/977705877.db2.gz YLZRVMYREWRXTB-INIZCTEOSA-N 2 0 295.471 1.955 10 0 CDAERP CC[NH2+]C1(CNC(=O)[C@@H](CC)[NH+](CC)CC)CCOCC1 ZINC001393214428 977735192 /nfs/dbraw/zinc/73/51/92/977735192.db2.gz ICNORMPRSCTUKV-CQSZACIVSA-N 2 0 299.459 1.382 10 0 CDAERP CCCC[NH+]1CCC(CO)(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001393853092 977933763 /nfs/dbraw/zinc/93/37/63/977933763.db2.gz VYHPEBRNYYMOAN-UHFFFAOYSA-N 2 0 299.459 1.070 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CC1CC1 ZINC001394068451 978048901 /nfs/dbraw/zinc/04/89/01/978048901.db2.gz SSVVDSZSCJYMQZ-UKRRQHHQSA-N 2 0 281.444 1.707 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCF)C[C@@H]2C1 ZINC001394351038 978138425 /nfs/dbraw/zinc/13/84/25/978138425.db2.gz QJDMONYWIOCVAO-QLFBSQMISA-N 2 0 299.434 1.514 10 0 CDAERP CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001394438795 978159475 /nfs/dbraw/zinc/15/94/75/978159475.db2.gz QOMKKOORJNOQOF-AEGPPILISA-N 2 0 281.444 1.563 10 0 CDAERP CCC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC1(C)C ZINC001394725472 978241561 /nfs/dbraw/zinc/24/15/61/978241561.db2.gz MWTZMTSCVKFMKL-CYBMUJFWSA-N 2 0 281.444 1.565 10 0 CDAERP CC[N@@H+]1CC[C@@H](CNC(=O)C2([NH+](C)C)CCCC2)C1 ZINC001597025484 1174254570 /nfs/dbraw/zinc/25/45/70/1174254570.db2.gz OHLWYSARWMTIMB-ZDUSSCGKSA-N 2 0 267.417 1.319 10 0 CDAERP CCCC[NH2+]C[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001571153023 1170341898 /nfs/dbraw/zinc/34/18/98/1170341898.db2.gz UZFIADFGJUFDCD-HDJSIYSDSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CCOCC(=O)OC(C)(C)C)CN1C1CC1 ZINC000601144154 342481091 /nfs/dbraw/zinc/48/10/91/342481091.db2.gz FMBWWQIOLRDLSM-CHWSQXEVSA-N 2 0 298.427 1.560 10 0 CDAERP CCc1nn(C)cc1C[NH2+]Cc1ccccc1C[NH2+]C ZINC000650719576 398159333 /nfs/dbraw/zinc/15/93/33/398159333.db2.gz VBJOQMGIRHLSAV-UHFFFAOYSA-N 2 0 272.396 1.992 10 0 CDAERP COc1ccc(C[NH2+]CCC2(C[NH3+])CC2)cc1O ZINC000650712059 398154837 /nfs/dbraw/zinc/15/48/37/398154837.db2.gz PFRBZFCVWXNTNP-UHFFFAOYSA-N 2 0 250.342 1.619 10 0 CDAERP COc1ccc(C[NH2+]CCC2(C[NH3+])CC2)c(OC)c1 ZINC000650711693 398154907 /nfs/dbraw/zinc/15/49/07/398154907.db2.gz AATHYEBHCNKNIT-UHFFFAOYSA-N 2 0 264.369 1.922 10 0 CDAERP C[NH2+]Cc1ccccc1C[NH2+]C1CCN(C(C)=O)CC1 ZINC000650719133 398159521 /nfs/dbraw/zinc/15/95/21/398159521.db2.gz FAQNMISRMBIJKI-UHFFFAOYSA-N 2 0 275.396 1.507 10 0 CDAERP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)Cc1cnccn1 ZINC000650755911 398179130 /nfs/dbraw/zinc/17/91/30/398179130.db2.gz PHXMTNSANKRUOH-CYBMUJFWSA-N 2 0 270.380 1.917 10 0 CDAERP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)Cn1cccn1 ZINC000650720683 398160081 /nfs/dbraw/zinc/16/00/81/398160081.db2.gz YNSVKNBQXZMUJN-CYBMUJFWSA-N 2 0 258.369 1.781 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000650724980 398163729 /nfs/dbraw/zinc/16/37/29/398163729.db2.gz QRXZTSLADRBBKM-CAOSSQGBSA-N 2 0 283.460 1.721 10 0 CDAERP Cc1c[nH+]ccc1NC[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000624708686 342010120 /nfs/dbraw/zinc/01/01/20/342010120.db2.gz WGQOIAUVZLBOCJ-MRXNPFEDSA-N 2 0 298.390 1.520 10 0 CDAERP Cn1cc(CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)nn1 ZINC000625262841 342060121 /nfs/dbraw/zinc/06/01/21/342060121.db2.gz GTCLJWFCDPITOJ-XJKSGUPXSA-N 2 0 289.427 1.306 10 0 CDAERP CC(C)[C@@H](C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)[NH+](C)C ZINC000617011304 342606474 /nfs/dbraw/zinc/60/64/74/342606474.db2.gz BOXJXXPJVZICIB-OLZOCXBDSA-N 2 0 269.433 1.562 10 0 CDAERP C[N@@H+]1CC[C@]2(CCN(CC(=O)NCC(C)(C)C)C2)C1 ZINC000625445822 342166921 /nfs/dbraw/zinc/16/69/21/342166921.db2.gz IDDBGLAOJDXVMW-HNNXBMFYSA-N 2 0 267.417 1.176 10 0 CDAERP CCO[C@H](C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1)C1CC1 ZINC000625508578 342179689 /nfs/dbraw/zinc/17/96/89/342179689.db2.gz CBRZLMNSLZXLJS-OAHLLOKOSA-N 2 0 282.428 1.598 10 0 CDAERP Cc1[nH+]ccc(N2CC[NH2+]C[C@H]2C)c1Br ZINC000669380270 539072294 /nfs/dbraw/zinc/07/22/94/539072294.db2.gz WKQQAILUDTWOMH-MRVPVSSYSA-N 2 0 270.174 1.951 10 0 CDAERP CC[C@H](C[NH+]1CCCC1)NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000669530292 539062083 /nfs/dbraw/zinc/06/20/83/539062083.db2.gz ZRBZDZBNHLHMAM-KFWWJZLASA-N 2 0 294.443 1.397 10 0 CDAERP C[NH2+]CCC1CC[NH+](Cc2cnc(C(=O)OC)cn2)CC1 ZINC000600705767 342243126 /nfs/dbraw/zinc/24/31/26/342243126.db2.gz ACYBMLAUFHZXPR-UHFFFAOYSA-N 2 0 292.383 1.085 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC000620621593 342256812 /nfs/dbraw/zinc/25/68/12/342256812.db2.gz OGOLHOFUVUKXIJ-GFCCVEGCSA-N 2 0 255.406 1.175 10 0 CDAERP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000594932508 342975960 /nfs/dbraw/zinc/97/59/60/342975960.db2.gz RBIAXXHWJKZQKO-MELADBBJSA-N 2 0 298.427 1.009 10 0 CDAERP C[C@@H](CSCCF)[NH2+]CCCC[NH+]1CCOCC1 ZINC000595011316 342992302 /nfs/dbraw/zinc/99/23/02/342992302.db2.gz MAYYQKFDRQBKFE-ZDUSSCGKSA-N 2 0 278.437 1.780 10 0 CDAERP C[C@@H](C[S@](C)=O)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000594944297 342979927 /nfs/dbraw/zinc/97/99/27/342979927.db2.gz SUYQKRHVNSCXBN-WLRWDXFRSA-N 2 0 278.381 1.124 10 0 CDAERP [NH3+][C@H](C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)C1CCC1 ZINC000645107489 362120701 /nfs/dbraw/zinc/12/07/01/362120701.db2.gz PXASBQGABNSYFK-RDBSUJKOSA-N 2 0 265.401 1.104 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)c1cc(F)c(F)c(F)c1 ZINC000629528872 362154618 /nfs/dbraw/zinc/15/46/18/362154618.db2.gz LVLJGYQLBPAKCM-SECBINFHSA-N 2 0 276.302 1.991 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)c1cccc(-n2ccnn2)c1 ZINC000629530865 362160496 /nfs/dbraw/zinc/16/04/96/362160496.db2.gz TVEYZZDRBVBJDF-CYBMUJFWSA-N 2 0 289.383 1.154 10 0 CDAERP CN1CCN(C(=O)C[N@@H+]2CCC[C@H]2CC(C)(C)C)CC1 ZINC000093168892 342424241 /nfs/dbraw/zinc/42/42/41/342424241.db2.gz AQXTYKYVZDNXTJ-AWEZNQCLSA-N 2 0 281.444 1.661 10 0 CDAERP COC[C@H]1CCN1C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000645160867 362191235 /nfs/dbraw/zinc/19/12/35/362191235.db2.gz UUIHZGWKEBCPIW-HZPDHXFCSA-N 2 0 278.396 1.200 10 0 CDAERP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc2ccccc2c1 ZINC000263252606 362396282 /nfs/dbraw/zinc/39/62/82/362396282.db2.gz QBPQJTBYGRCMHM-HZPDHXFCSA-N 2 0 256.349 1.510 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])CC[N@@H+]1C ZINC000263271539 362416176 /nfs/dbraw/zinc/41/61/76/362416176.db2.gz SGYKKEWXLHUUPQ-NYTXWWLZSA-N 2 0 281.444 1.835 10 0 CDAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000262330675 344697589 /nfs/dbraw/zinc/69/75/89/344697589.db2.gz XXXAKLDJUCGSSW-MELADBBJSA-N 2 0 267.417 1.304 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000262767489 344702462 /nfs/dbraw/zinc/70/24/62/344702462.db2.gz JNCICQRMUKRTPN-OLZOCXBDSA-N 2 0 285.457 1.072 10 0 CDAERP CN(CC(C)(C)C[NH3+])C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262404582 282367341 /nfs/dbraw/zinc/36/73/41/282367341.db2.gz ALFXWDGMMPNKJX-XQQFMLRXSA-N 2 0 267.417 1.350 10 0 CDAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000263289259 362578079 /nfs/dbraw/zinc/57/80/79/362578079.db2.gz VKSOHMZONIXDKA-SYAUCNOPSA-N 2 0 278.371 1.632 10 0 CDAERP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCC[NH+]1C ZINC000102000384 362584143 /nfs/dbraw/zinc/58/41/43/362584143.db2.gz SBGFKVVQUAGODP-KFWWJZLASA-N 2 0 296.459 1.500 10 0 CDAERP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)[C@H]1CCCCO1 ZINC000623891567 345656006 /nfs/dbraw/zinc/65/60/06/345656006.db2.gz PIUNSBDQQUFXDH-HRCADAONSA-N 2 0 284.444 1.771 10 0 CDAERP CCN(C(=O)[C@@H](C)[NH2+]C(C)(C)CC)[C@@H]1CC[N@H+](C)C1 ZINC000617552844 345847474 /nfs/dbraw/zinc/84/74/74/345847474.db2.gz WIMUOMSOBDOPSE-CHWSQXEVSA-N 2 0 269.433 1.706 10 0 CDAERP C[C@@H](C(=O)NCCN(C)CCC[NH+](C)C)c1ccccc1 ZINC000617764709 345960786 /nfs/dbraw/zinc/96/07/86/345960786.db2.gz CRSXWRAMNBOQPV-OAHLLOKOSA-N 2 0 291.439 1.790 10 0 CDAERP C[C@@H](Cn1cccn1)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623355345 346082187 /nfs/dbraw/zinc/08/21/87/346082187.db2.gz KHEDAPUGGJBFAE-STQMWFEESA-N 2 0 250.390 1.734 10 0 CDAERP CC(C)[C@H](CNC(=O)[C@@H]1CCCC[C@@H]1[NH3+])[NH+](C)C ZINC000085370905 179041432 /nfs/dbraw/zinc/04/14/32/179041432.db2.gz GFRWBFMDQAKMRV-AGIUHOORSA-N 2 0 255.406 1.206 10 0 CDAERP CC(C)[NH2+]CCCNC(=O)NCC1([NH3+])CCCCCC1 ZINC000584770341 346433651 /nfs/dbraw/zinc/43/36/51/346433651.db2.gz PCDOOZSEMXVFAU-UHFFFAOYSA-N 2 0 284.448 1.725 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)CN2CC(C)(C)C2)C[C@@H]1C ZINC000569707228 362733839 /nfs/dbraw/zinc/73/38/39/362733839.db2.gz WGKHGXKCRJWHDO-KBPBESRZSA-N 2 0 281.444 1.659 10 0 CDAERP C[C@@H]([NH3+])C1(O)CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000584637071 346511237 /nfs/dbraw/zinc/51/12/37/346511237.db2.gz RUPAQBBIOPCNCE-CJNGLKHVSA-N 2 0 274.408 1.718 10 0 CDAERP Cc1nccn1CC[N@@H+]1CCC[NH2+][C@@](C)(C2CC2)C1 ZINC000085613057 179103339 /nfs/dbraw/zinc/10/33/39/179103339.db2.gz ROHGRARYUDJCRW-OAHLLOKOSA-N 2 0 262.401 1.656 10 0 CDAERP C[NH+](C)CC(C)(C)C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085628650 179107420 /nfs/dbraw/zinc/10/74/20/179107420.db2.gz OJDYOXWFZJMCFQ-AVGNSLFASA-N 2 0 254.418 1.977 10 0 CDAERP CC1([NH3+])COC(c2ccccc2)([C@H]2CCCC[NH2+]2)OC1 ZINC000584614663 346499792 /nfs/dbraw/zinc/49/97/92/346499792.db2.gz BWYDJNHATYNBEG-QQFBHYJXSA-N 2 0 276.380 1.746 10 0 CDAERP C[NH+]1CCC(C[NH2+][C@H]2[C@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000085637158 179109904 /nfs/dbraw/zinc/10/99/04/179109904.db2.gz KTUUYUUEQNTARK-RDBSUJKOSA-N 2 0 252.402 1.731 10 0 CDAERP C[C@@H](C[NH2+]CC1(O)CC[NH+](C)CC1)Cc1ccccc1 ZINC000274865891 365834194 /nfs/dbraw/zinc/83/41/94/365834194.db2.gz UDZJWHZRCDLHHX-OAHLLOKOSA-N 2 0 276.424 1.912 10 0 CDAERP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H](C)CO)CC1 ZINC000088736880 347237496 /nfs/dbraw/zinc/23/74/96/347237496.db2.gz GQTWHKPDVOYLQO-OAHLLOKOSA-N 2 0 291.439 1.689 10 0 CDAERP CCC[C@@H](O)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000450397853 362818060 /nfs/dbraw/zinc/81/80/60/362818060.db2.gz YSJMSWCDCUDYEU-JKSUJKDBSA-N 2 0 283.460 1.249 10 0 CDAERP C[NH+]1CCC(C[N@@H+]2CCN[C@H](c3ccccc3)C2)CC1 ZINC000086145671 179237247 /nfs/dbraw/zinc/23/72/47/179237247.db2.gz POQYZXPFGOSGON-KRWDZBQOSA-N 2 0 273.424 1.975 10 0 CDAERP CC(C)[C@H]1C[NH2+][C@@H](C2CC2)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086182569 179248093 /nfs/dbraw/zinc/24/80/93/179248093.db2.gz VYPPCMCAPKSMDW-BRWVUGGUSA-N 2 0 277.456 1.789 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CC(=O)N(C3CC3)C2)CC1(C)C ZINC000623560104 347631708 /nfs/dbraw/zinc/63/17/08/347631708.db2.gz VSAYFHJIXFIDKN-CHWSQXEVSA-N 2 0 279.428 1.460 10 0 CDAERP Cc1ccc(CN[C@H]2CC[N@H+](C)C(C)(C)C2)c(=O)n1C ZINC000623509892 347610234 /nfs/dbraw/zinc/61/02/34/347610234.db2.gz XNQUUCHOABBIQE-AWEZNQCLSA-N 2 0 277.412 1.656 10 0 CDAERP CC[C@@H]1C[N@H+](C)CCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC000614343223 348085664 /nfs/dbraw/zinc/08/56/64/348085664.db2.gz SURQKQZPCBUMPH-ZIAGYGMSSA-N 2 0 267.417 1.271 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000615264700 348414605 /nfs/dbraw/zinc/41/46/05/348414605.db2.gz MBXVMKWYZQAKAH-LSDHHAIUSA-N 2 0 297.443 1.040 10 0 CDAERP C[C@H]1CCC[N@H+](CCCCNC(=O)Cn2ccnc2)C1 ZINC000072960663 349143161 /nfs/dbraw/zinc/14/31/61/349143161.db2.gz LNQDXSFKRLVANC-AWEZNQCLSA-N 2 0 278.400 1.511 10 0 CDAERP CC[NH+](CC)CC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000073949362 349189032 /nfs/dbraw/zinc/18/90/32/349189032.db2.gz QBVNARSBDPLBMV-ZIAGYGMSSA-N 2 0 269.433 1.517 10 0 CDAERP CC[NH+](CC)Cc1ccc(C(=O)N(C)CC2C[NH+](C)C2)o1 ZINC000618193805 349397863 /nfs/dbraw/zinc/39/78/63/349397863.db2.gz FQWFNLSLTQFHBY-UHFFFAOYSA-N 2 0 293.411 1.755 10 0 CDAERP COC[C@H]([NH2+]CCOCCC[NH3+])c1cccc(Cl)c1 ZINC000629536912 362951406 /nfs/dbraw/zinc/95/14/06/362951406.db2.gz HQUUYDGBYNCORZ-AWEZNQCLSA-N 2 0 286.803 1.983 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000629537065 362952005 /nfs/dbraw/zinc/95/20/05/362952005.db2.gz IOBOFOIRHKQJKU-CQSZACIVSA-N 2 0 282.359 1.994 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)C[NH+](CC)CC ZINC000620624208 350293395 /nfs/dbraw/zinc/29/33/95/350293395.db2.gz QATXGHOOZFZQDV-UHFFFAOYSA-N 2 0 257.422 1.565 10 0 CDAERP CC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H](C)[NH2+]1 ZINC000620897881 350368832 /nfs/dbraw/zinc/36/88/32/350368832.db2.gz DTDGBSHSPQLMBN-XDQVBPFNSA-N 2 0 267.417 1.316 10 0 CDAERP [NH3+]C1CCC([NH2+]Cc2cn3ccsc3n2)CC1 ZINC000333308130 362970181 /nfs/dbraw/zinc/97/01/81/362970181.db2.gz REQDWCFGFSKLCN-UHFFFAOYSA-N 2 0 250.371 1.755 10 0 CDAERP C[NH+](C)C1CCN(CC[NH2+]C[C@]2(C)CCCS2)CC1 ZINC000628233481 362974368 /nfs/dbraw/zinc/97/43/68/362974368.db2.gz FZEQODCQISHQAE-HNNXBMFYSA-N 2 0 285.501 1.888 10 0 CDAERP CN(C(=O)CC[C@H]1CCC[NH2+]C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000621652632 350690800 /nfs/dbraw/zinc/69/08/00/350690800.db2.gz BCBWYGDACYRMAO-JKXDFHQYSA-N 2 0 279.428 1.508 10 0 CDAERP O=C(CC[C@H]1CCC[NH2+]C1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000621653471 350691398 /nfs/dbraw/zinc/69/13/98/350691398.db2.gz ZHSLELTXCTYBKO-OCCSQVGLSA-N 2 0 265.401 1.119 10 0 CDAERP O=C(CC[C@H]1CCC[NH2+]C1)NC1CC([NH+]2CCCCC2)C1 ZINC000621660219 350698499 /nfs/dbraw/zinc/69/84/99/350698499.db2.gz CLJCDEROSDYELM-QQFBHYJXSA-N 2 0 293.455 1.899 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)[C@H]1OC ZINC000628238963 362982659 /nfs/dbraw/zinc/98/26/59/362982659.db2.gz WVULVXGJCYTTJL-XJFOESAGSA-N 2 0 270.417 1.641 10 0 CDAERP CCC(C)(C)[NH2+][C@H](C)C(=O)NC1CC([NH+](C)C)C1 ZINC000622009317 350932603 /nfs/dbraw/zinc/93/26/03/350932603.db2.gz REIBYHXGGVRIRJ-VOMCLLRMSA-N 2 0 255.406 1.362 10 0 CDAERP FC1(F)C[C@@H]1CC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000622044210 350948776 /nfs/dbraw/zinc/94/87/76/350948776.db2.gz YQGTWZTZIOGHHT-UMSGYPCISA-N 2 0 274.355 1.778 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH2+]CC1 ZINC000333434645 362992290 /nfs/dbraw/zinc/99/22/90/362992290.db2.gz VEEKKDFMAHLHDO-CQSZACIVSA-N 2 0 282.432 1.158 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC000629556190 362993375 /nfs/dbraw/zinc/99/33/75/362993375.db2.gz NBSBBLKLLNWMRF-DGCLKSJQSA-N 2 0 253.390 1.247 10 0 CDAERP Cc1ccc(CC[C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)o1 ZINC000629565958 363010522 /nfs/dbraw/zinc/01/05/22/363010522.db2.gz RCYWGKHAYLCLTC-ZFWWWQNUSA-N 2 0 280.412 1.955 10 0 CDAERP C[NH2+]CCOCCN(C)CC(=O)Nc1ccc(C)c(F)c1 ZINC000629566409 363011696 /nfs/dbraw/zinc/01/16/96/363011696.db2.gz KCMREEPUWZCWQD-UHFFFAOYSA-N 2 0 297.374 1.240 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000154098821 351268822 /nfs/dbraw/zinc/26/88/22/351268822.db2.gz WCCKWMMMCUSGJZ-CABCVRRESA-N 2 0 296.459 1.596 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000623959499 351353400 /nfs/dbraw/zinc/35/34/00/351353400.db2.gz SJXUSBMQCYGCMI-HUUCEWRRSA-N 2 0 272.433 1.892 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000629572642 363029340 /nfs/dbraw/zinc/02/93/40/363029340.db2.gz ZSWVAMSQTZCZJJ-UHFFFAOYSA-N 3 0 277.412 1.000 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc[nH]c2=O)[C@@H]2CCC[C@@H]21 ZINC000624259675 351523260 /nfs/dbraw/zinc/52/32/60/351523260.db2.gz SXXKOSNRJIVZBT-IHRRRGAJSA-N 2 0 261.369 1.750 10 0 CDAERP CC1(C)COC[C@@H]1[NH2+]C/C=C/C[NH2+][C@@H]1COCC1(C)C ZINC000451809659 363131160 /nfs/dbraw/zinc/13/11/60/363131160.db2.gz JORLVOOQCQODMD-DLPZHFSESA-N 2 0 282.428 1.572 10 0 CDAERP O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)N[C@@H]1CCCC[NH2+]C1 ZINC000333938768 363241174 /nfs/dbraw/zinc/24/11/74/363241174.db2.gz MTPHZBZZDVXXRS-RDBSUJKOSA-N 2 0 280.416 1.055 10 0 CDAERP C[C@@H](Cc1ccccc1)C[N@H+](C)CCOCC[NH3+] ZINC000629662097 363317774 /nfs/dbraw/zinc/31/77/74/363317774.db2.gz CQHYZUOBYCIVKS-AWEZNQCLSA-N 2 0 250.386 1.772 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1cncc(Br)c1 ZINC000629677028 363326383 /nfs/dbraw/zinc/32/63/83/363326383.db2.gz AENMZHNXCXDNDD-UHFFFAOYSA-N 2 0 288.189 1.299 10 0 CDAERP CC(C)[NH+](CCNC(=O)[C@@H]1[NH2+]CCCC1(C)C)C(C)C ZINC000232641571 140223574 /nfs/dbraw/zinc/22/35/74/140223574.db2.gz IQUZYGDFUWDBGA-AWEZNQCLSA-N 2 0 283.460 2.000 10 0 CDAERP CCCN(C(=O)NC[C@H]([NH3+])c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000418404611 283005364 /nfs/dbraw/zinc/00/53/64/283005364.db2.gz AGXKEPUNCYLJJO-CABCVRRESA-N 2 0 290.411 1.470 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001660194946 1172173219 /nfs/dbraw/zinc/17/32/19/1172173219.db2.gz KVIANVKBUOZGSI-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@H](O)CC2CCCC2)CC1 ZINC000644562277 366189562 /nfs/dbraw/zinc/18/95/62/366189562.db2.gz HQZQFMCXQNFZOW-MRXNPFEDSA-N 2 0 297.487 1.543 10 0 CDAERP CCOC(=O)C1CC[NH+](C2CCC3(C[C@@H]3[NH3+])CC2)CC1 ZINC000725271169 538461613 /nfs/dbraw/zinc/46/16/13/538461613.db2.gz YIDKSIXOQODXKS-BBBYJDLNSA-N 2 0 280.412 1.922 10 0 CDAERP CC(C)C(=O)Nc1ncc(CN2CC[C@@H]([NH3+])[C@H](C)C2)s1 ZINC000725272659 538463648 /nfs/dbraw/zinc/46/36/48/538463648.db2.gz SQLYICGIHRCFMO-ZYHUDNBSSA-N 2 0 296.440 1.907 10 0 CDAERP FC(F)Cn1cc(C[NH2+][C@@H]2CCc3nc[nH]c3C2)cn1 ZINC000367924208 356624295 /nfs/dbraw/zinc/62/42/95/356624295.db2.gz BTLUCKZSRJGCQL-SNVBAGLBSA-N 2 0 281.310 1.518 10 0 CDAERP CCCCC[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001660400382 1172210230 /nfs/dbraw/zinc/21/02/30/1172210230.db2.gz RFVRLWDJRGCACA-CQSZACIVSA-N 2 0 269.433 1.566 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1[NH+](C)CCCC1(C)C ZINC000447962694 357054032 /nfs/dbraw/zinc/05/40/32/357054032.db2.gz LLTYXCWZDPCLSU-UONOGXRCSA-N 2 0 296.459 1.500 10 0 CDAERP C[C@H]([NH2+]C[C@H]1CSc2ccccc2O1)C1C[NH2+]C1 ZINC000572644196 363575133 /nfs/dbraw/zinc/57/51/33/363575133.db2.gz XQJGXPKUBWHQGH-JQWIXIFHSA-N 2 0 264.394 1.737 10 0 CDAERP CN1CCC[C@H]1C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C ZINC000381983789 357272516 /nfs/dbraw/zinc/27/25/16/357272516.db2.gz NOGIDQADZOYJER-LBPRGKRZSA-N 2 0 285.432 1.974 10 0 CDAERP C[C@H]([NH2+]C[C@@H](c1ccco1)N(C)C)[C@@H]1CCC[NH2+]C1 ZINC000564825377 357277714 /nfs/dbraw/zinc/27/77/14/357277714.db2.gz AIRDSFXCURKYNI-MJBXVCDLSA-N 2 0 265.401 1.860 10 0 CDAERP COC[C@H](O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000127228915 358229030 /nfs/dbraw/zinc/22/90/30/358229030.db2.gz DMPFNYQXPRHXID-DLBZAZTESA-N 2 0 292.423 1.448 10 0 CDAERP CC1CC[NH+](CCN2CC[C@H]3C[N@H+](C)C[C@@H]32)CC1 ZINC000644728242 366426915 /nfs/dbraw/zinc/42/69/15/366426915.db2.gz DIGRPMRLHROAJW-GJZGRUSLSA-N 2 0 251.418 1.354 10 0 CDAERP C[C@H](Cc1ccoc1)[NH2+]C[C@@H]1CCCN1CCCO ZINC000449388653 358527963 /nfs/dbraw/zinc/52/79/63/358527963.db2.gz PSSWYGHXTWQMBB-HIFRSBDPSA-N 2 0 266.385 1.647 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)Cc2ccc(CO)o2)[C@H](C)C1 ZINC000093639236 358619812 /nfs/dbraw/zinc/61/98/12/358619812.db2.gz FENCNXJLFXZJPR-DOMZBBRYSA-N 2 0 266.385 1.934 10 0 CDAERP OCCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000253132574 358625326 /nfs/dbraw/zinc/62/53/26/358625326.db2.gz POCHCXKTCHMWRL-MGPQQGTHSA-N 2 0 252.402 1.659 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000070552846 358969482 /nfs/dbraw/zinc/96/94/82/358969482.db2.gz KHPJVVWZYFOJAU-ZDUSSCGKSA-N 2 0 273.380 1.154 10 0 CDAERP CCCNC(=O)[C@@H]1CCC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261884116 359077001 /nfs/dbraw/zinc/07/70/01/359077001.db2.gz RMUYEYWHVBJSDH-UKRRQHHQSA-N 2 0 267.417 1.224 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261904329 359083998 /nfs/dbraw/zinc/08/39/98/359083998.db2.gz WPZWMGWNXZKFIJ-TUVASFSCSA-N 2 0 279.428 1.317 10 0 CDAERP CC[C@@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)C[C@@H]1N1CCOCC1 ZINC000261977834 359112080 /nfs/dbraw/zinc/11/20/80/359112080.db2.gz IWSGOIGEICIHGV-PMPSAXMXSA-N 2 0 281.444 1.029 10 0 CDAERP C(C[NH+]1CCCCCC1)N[C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261988622 359115413 /nfs/dbraw/zinc/11/54/13/359115413.db2.gz SLQZBUZAGALIGE-BBWFWOEESA-N 2 0 295.471 1.609 10 0 CDAERP C[NH+](C)Cc1cc(CNCc2ncc[nH]2)ccc1F ZINC000115624296 359551337 /nfs/dbraw/zinc/55/13/37/359551337.db2.gz VCLQEFURMNTNNG-UHFFFAOYSA-N 2 0 262.332 1.900 10 0 CDAERP CC[NH+](CC)CCNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113576344 359645842 /nfs/dbraw/zinc/64/58/42/359645842.db2.gz PZHMXUPUPDHRIS-KBPBESRZSA-N 2 0 282.432 1.206 10 0 CDAERP COCc1cc(C[NH2+][C@@H](CCC[NH3+])COC)ccc1F ZINC000422765838 359654460 /nfs/dbraw/zinc/65/44/60/359654460.db2.gz PKKPFESOEXNVBF-AWEZNQCLSA-N 2 0 284.375 1.816 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](C)Oc1ccccc1 ZINC000422976320 359733924 /nfs/dbraw/zinc/73/39/24/359733924.db2.gz CSFCWJJAEJMUTH-KGLIPLIRSA-N 2 0 266.385 1.797 10 0 CDAERP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccccn1 ZINC000423500958 359825810 /nfs/dbraw/zinc/82/58/10/359825810.db2.gz CGXDRDHHRCNXDL-FHERZECASA-N 2 0 288.439 1.949 10 0 CDAERP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)NC1CC[NH2+]CC1 ZINC000335488970 283489707 /nfs/dbraw/zinc/48/97/07/283489707.db2.gz YZHWKJMBQYYNEL-OAHLLOKOSA-N 2 0 288.395 1.006 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000456542698 363707132 /nfs/dbraw/zinc/70/71/32/363707132.db2.gz DXNGTJVLBKZLJK-LSDHHAIUSA-N 2 0 281.444 1.804 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C[NH2+]CC1CC1 ZINC000094447172 360098446 /nfs/dbraw/zinc/09/84/46/360098446.db2.gz GTLRUYBQGBEQAR-TZMCWYRMSA-N 2 0 265.401 1.071 10 0 CDAERP Cn1cc(Br)c(C[NH2+]C2CCC([NH3+])CC2)n1 ZINC000335445655 360190526 /nfs/dbraw/zinc/19/05/26/360190526.db2.gz UWNVXQPDELEKPN-UHFFFAOYSA-N 2 0 287.205 1.542 10 0 CDAERP C[C@@H](C1CC1)[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000064508596 360192462 /nfs/dbraw/zinc/19/24/62/360192462.db2.gz YBBNEOTZKKWECS-LBPRGKRZSA-N 2 0 279.428 1.460 10 0 CDAERP C[C@H](C[NH2+]C1CCC([NH3+])CC1)C[NH+]1CCCCC1 ZINC000094087969 360311015 /nfs/dbraw/zinc/31/10/15/360311015.db2.gz CMBSZYAKXURQSG-WLYUNCDWSA-N 3 0 253.434 1.968 10 0 CDAERP CC(C)[NH2+]CCCNC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000514850134 360385827 /nfs/dbraw/zinc/38/58/27/360385827.db2.gz FXFAFZLYCWICCX-HUUCEWRRSA-N 2 0 298.475 1.937 10 0 CDAERP C[C@@H](CC(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1)[C@H]1CCC[NH2+]C1 ZINC000515060400 360429920 /nfs/dbraw/zinc/42/99/20/360429920.db2.gz XJSFGFDMRGCZQS-KNCOVGOOSA-N 2 0 281.444 1.456 10 0 CDAERP C[C@H](CNC(=O)N[C@@H]1CC[NH2+][C@H]1C)[N@@H+]1CCC[C@H](C)C1 ZINC000626934918 360654077 /nfs/dbraw/zinc/65/40/77/360654077.db2.gz RGPMQGSHJSYMFD-RFQIPJPRSA-N 2 0 282.432 1.156 10 0 CDAERP CC(C)[NH+](CCNC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1)C(C)C ZINC000626919855 360635623 /nfs/dbraw/zinc/63/56/23/360635623.db2.gz NMQFWCYLZYHVBC-UONOGXRCSA-N 2 0 284.448 1.545 10 0 CDAERP CCn1nc(C)c(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c1C ZINC000634999185 360636523 /nfs/dbraw/zinc/63/65/23/360636523.db2.gz RASKUCDIFFDNEW-GWCFXTLKSA-N 2 0 250.390 1.546 10 0 CDAERP C[C@H](CNC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1)[NH+]1CCC(C)CC1 ZINC000626953260 360697476 /nfs/dbraw/zinc/69/74/76/360697476.db2.gz OLYBIHPCTNICOI-RRFJBIMHSA-N 2 0 296.459 1.547 10 0 CDAERP C[C@@H](CC[NH+](C)C)NC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000338290233 360816375 /nfs/dbraw/zinc/81/63/75/360816375.db2.gz LZYYITFRLNQGFH-KBPBESRZSA-N 2 0 284.448 1.500 10 0 CDAERP COC1(C[C@@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)CCC1 ZINC000429514533 360844986 /nfs/dbraw/zinc/84/49/86/360844986.db2.gz DVEDAKPDQNARBD-MRXNPFEDSA-N 2 0 297.487 1.951 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CC[C@H]2CCNC2=O)[C@H](C)C1 ZINC000519419247 361306013 /nfs/dbraw/zinc/30/60/13/361306013.db2.gz MNUCOTJJFNJNKR-MCIONIFRSA-N 2 0 267.417 1.175 10 0 CDAERP C[C@H]1CSC[C@H]1[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000352799323 363918250 /nfs/dbraw/zinc/91/82/50/363918250.db2.gz MNVWROPZFIIGQD-SMDDNHRTSA-N 2 0 297.468 1.071 10 0 CDAERP CC(C)[NH+]1CCN(CCC[NH2+][C@H](C)[C@H]2CCCO2)CC1 ZINC000193007876 364117630 /nfs/dbraw/zinc/11/76/30/364117630.db2.gz UKHQEAOBVFGDTH-HZPDHXFCSA-N 2 0 283.460 1.560 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000122122857 370747074 /nfs/dbraw/zinc/74/70/74/370747074.db2.gz IMEOZIFBFGKQHJ-LSDHHAIUSA-N 2 0 298.475 1.748 10 0 CDAERP C[C@H](CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)[NH+](C)C1CC1 ZINC000105263635 364696161 /nfs/dbraw/zinc/69/61/61/364696161.db2.gz CESFBEBKMKMBMC-UKRRQHHQSA-N 2 0 294.443 1.349 10 0 CDAERP CCc1nccn1[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC000164345409 364806309 /nfs/dbraw/zinc/80/63/09/364806309.db2.gz ZWNVSWZUIPYKDD-KGLIPLIRSA-N 2 0 292.427 1.949 10 0 CDAERP O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000226998543 296069118 /nfs/dbraw/zinc/06/91/18/296069118.db2.gz DIBHFRKATMCAOD-VGWMRTNUSA-N 2 0 291.439 1.604 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CCC2CC2)C1)[NH+](C)C ZINC001661034538 1172325457 /nfs/dbraw/zinc/32/54/57/1172325457.db2.gz IBCOUARDBPOUTG-UONOGXRCSA-N 2 0 267.417 1.317 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@H](O)C[C@H]1C ZINC000471813298 364993871 /nfs/dbraw/zinc/99/38/71/364993871.db2.gz YLDXKNCCLQUUSH-IAQYHMDHSA-N 2 0 272.352 1.531 10 0 CDAERP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)C(C)(C)n2cncn2)C1 ZINC000353429634 365201229 /nfs/dbraw/zinc/20/12/29/365201229.db2.gz URMAMKUKEMJLSX-CHWSQXEVSA-N 2 0 265.405 1.333 10 0 CDAERP CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)CC)[C@H]1CCCCO1 ZINC000653873631 412743753 /nfs/dbraw/zinc/74/37/53/412743753.db2.gz SWBBFMXJAJAJAW-HZSPNIEDSA-N 2 0 258.406 1.236 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000626959902 366904379 /nfs/dbraw/zinc/90/43/79/366904379.db2.gz JGGUQTGWNFRTHT-UKRRQHHQSA-N 2 0 296.459 1.548 10 0 CDAERP c1cc(C[NH2+]CCCN2CC[NH2+]CC2)n(-c2ccccc2)n1 ZINC000414776502 241380178 /nfs/dbraw/zinc/38/01/78/241380178.db2.gz FIYLUIASRKCDDB-UHFFFAOYSA-N 2 0 299.422 1.257 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)NCC2([NH3+])CCCCCC2)C[NH2+]1 ZINC000627063853 367321742 /nfs/dbraw/zinc/32/17/42/367321742.db2.gz UUHKJMIEOHPMGN-CHWSQXEVSA-N 2 0 282.432 1.478 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000627113308 367466838 /nfs/dbraw/zinc/46/68/38/367466838.db2.gz VLBXUVXMXXHHPG-RFQIPJPRSA-N 2 0 280.416 1.053 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000627117379 367482526 /nfs/dbraw/zinc/48/25/26/367482526.db2.gz SOOROKZULLVHOW-SOUVJXGZSA-N 2 0 296.459 1.547 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CCc2cnc(C3CC3)nc2)CC[N@@H+]1C ZINC000358229387 367526310 /nfs/dbraw/zinc/52/63/10/367526310.db2.gz QKTCEFSVPOCPEA-DOMZBBRYSA-N 2 0 274.412 1.969 10 0 CDAERP CC(C)[NH+](CCNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)C(C)C ZINC000416806440 242152324 /nfs/dbraw/zinc/15/23/24/242152324.db2.gz MBXBEGNAAISCSB-OAHLLOKOSA-N 2 0 296.459 1.641 10 0 CDAERP CC1CC[NH+](CCNC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000417003207 242260497 /nfs/dbraw/zinc/26/04/97/242260497.db2.gz BGDREPHZURUXDY-ZIAGYGMSSA-N 2 0 282.432 1.016 10 0 CDAERP [NH3+]CCCNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000416985817 242251651 /nfs/dbraw/zinc/25/16/51/242251651.db2.gz QQVPCOCJALPDEM-UHFFFAOYSA-N 2 0 290.411 1.430 10 0 CDAERP C[C@@H](NC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)[C@H](C)[NH3+] ZINC000417210911 242357944 /nfs/dbraw/zinc/35/79/44/242357944.db2.gz FJUITDSGQBAKNL-COMQUAJESA-N 2 0 284.448 1.532 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N2CC[C@@H](C[NH3+])C2)CC1 ZINC000417373468 242444767 /nfs/dbraw/zinc/44/47/67/242444767.db2.gz AWRRSNXZYUJXEZ-AWEZNQCLSA-N 2 0 282.432 1.099 10 0 CDAERP C[C@H]1CC[C@H](NC(=O)N(C)CCC[NH+]2CCCC2)C[NH2+]1 ZINC000627203747 367697940 /nfs/dbraw/zinc/69/79/40/367697940.db2.gz QDESTZBIZQOCLG-KBPBESRZSA-N 2 0 282.432 1.254 10 0 CDAERP CCC[C@@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)C(C)(C)C ZINC000576227815 317100162 /nfs/dbraw/zinc/10/01/62/317100162.db2.gz BJEHWKQETDDSSC-LSDHHAIUSA-N 2 0 285.476 1.399 10 0 CDAERP CCS(=O)(=O)C[C@@H](C)NCC1([NH3+])CCCCCC1 ZINC000414859334 367772486 /nfs/dbraw/zinc/77/24/86/367772486.db2.gz MKPPOEDAXOJPOX-GFCCVEGCSA-N 2 0 276.446 1.451 10 0 CDAERP CC[N@@H+]1CCCN(C(=O)NCC[NH+]2CC=C(C)CC2)CC1 ZINC000358669164 367860588 /nfs/dbraw/zinc/86/05/88/367860588.db2.gz RIWOZGRUHVDROQ-UHFFFAOYSA-N 2 0 294.443 1.376 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000418122448 242680197 /nfs/dbraw/zinc/68/01/97/242680197.db2.gz XWCIAYWECNKOFK-OCCSQVGLSA-N 2 0 282.432 1.253 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)CC1 ZINC000417753564 242643495 /nfs/dbraw/zinc/64/34/95/242643495.db2.gz UIFXOZJGCRKVKG-DZGCQCFKSA-N 2 0 296.459 1.487 10 0 CDAERP CCCCOC[C@H](O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000193250234 368002792 /nfs/dbraw/zinc/00/27/92/368002792.db2.gz RTGRZMFOXZPYNF-QGZVFWFLSA-N 2 0 298.471 1.972 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCCCCC[NH+]1CCCC1 ZINC000418218684 242785090 /nfs/dbraw/zinc/78/50/90/242785090.db2.gz OWEALOXMNUBMCI-CHWSQXEVSA-N 2 0 270.421 1.287 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC000283308437 368251574 /nfs/dbraw/zinc/25/15/74/368251574.db2.gz DFCGSCUDJFWMMR-ZDUSSCGKSA-N 2 0 286.379 1.939 10 0 CDAERP C[C@H](CCCC[NH3+])NC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418406805 243038798 /nfs/dbraw/zinc/03/87/98/243038798.db2.gz CJGJZXBPJWXYIY-TZMCWYRMSA-N 2 0 278.400 1.503 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)C[C@@H]1C ZINC000418541382 243195275 /nfs/dbraw/zinc/19/52/75/243195275.db2.gz DTAVZLJAOCAOPM-ZQDZILKHSA-N 2 0 296.459 1.499 10 0 CDAERP CN(CCC(=O)NCCCC[NH+](C)C)c1cc[nH+]cc1 ZINC000540928268 368573518 /nfs/dbraw/zinc/57/35/18/368573518.db2.gz NITDFDYUPBRJQN-UHFFFAOYSA-N 2 0 278.400 1.366 10 0 CDAERP c1ccc(N2CC[C@@H](C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC000638185927 368642433 /nfs/dbraw/zinc/64/24/33/368642433.db2.gz FUBWCNBIAIBTPU-HRCADAONSA-N 2 0 271.408 1.664 10 0 CDAERP c1ccc(N2CC[C@H](C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)C2)cc1 ZINC000638185926 368643122 /nfs/dbraw/zinc/64/31/22/368643122.db2.gz FUBWCNBIAIBTPU-BZUAXINKSA-N 2 0 271.408 1.664 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[N@@H+]1C ZINC000541856958 368688454 /nfs/dbraw/zinc/68/84/54/368688454.db2.gz NBFNAHDKCRTIHD-KGLIPLIRSA-N 2 0 290.411 1.507 10 0 CDAERP CC(C)=CCC[C@@H](C)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000567228478 370923438 /nfs/dbraw/zinc/92/34/38/370923438.db2.gz VPJVRQZZBSKCAX-CVEARBPZSA-N 2 0 283.460 1.319 10 0 CDAERP CN(CCC(=O)N1CCC[C@@H]1C[NH+](C)C)c1cc[nH+]cc1 ZINC000543714251 368956915 /nfs/dbraw/zinc/95/69/15/368956915.db2.gz IKENNLDGORXFFY-OAHLLOKOSA-N 2 0 290.411 1.461 10 0 CDAERP Cc1cc(NCCOCCC[NH3+])c2ccccc2[nH+]1 ZINC000630535255 369177743 /nfs/dbraw/zinc/17/77/43/369177743.db2.gz SNEVOZDFJCUJRL-UHFFFAOYSA-N 2 0 259.353 1.742 10 0 CDAERP C[NH+]1CCC(N[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000367617029 369200647 /nfs/dbraw/zinc/20/06/47/369200647.db2.gz PIIURKOFECWLPS-ZNMIVQPWSA-N 2 0 251.418 1.543 10 0 CDAERP C[NH2+]CCC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000367635239 369203632 /nfs/dbraw/zinc/20/36/32/369203632.db2.gz OFVXNTFHOXYZJR-UHFFFAOYSA-N 2 0 251.305 1.019 10 0 CDAERP [NH3+]Cc1cccc(-n2cc(C[C@@H]3CCC[NH2+]C3)nn2)c1 ZINC000630608214 369383503 /nfs/dbraw/zinc/38/35/03/369383503.db2.gz VVKHRSHLQLROQY-ZDUSSCGKSA-N 2 0 271.368 1.268 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000548420093 369849029 /nfs/dbraw/zinc/84/90/29/369849029.db2.gz MIFIGHBEVBCRFV-KKUMJFAQSA-N 2 0 281.444 1.659 10 0 CDAERP CCC[C@H](C(=O)NC[C@H]1CC[N@H+](CC)C1)[NH+](C)C ZINC000137586596 369927232 /nfs/dbraw/zinc/92/72/32/369927232.db2.gz HCLSGGLEJFFRBW-CHWSQXEVSA-N 2 0 255.406 1.175 10 0 CDAERP CCC[C@](C)([NH3+])C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000371232738 370218771 /nfs/dbraw/zinc/21/87/71/370218771.db2.gz UPSMLWKPMDJBAM-NFAWXSAZSA-N 2 0 267.417 1.495 10 0 CDAERP CCOC(=O)C1([C@H](C)[NH2+]C[C@H]2C[C@@H]2C)CC[NH2+]CC1 ZINC000422709949 245169827 /nfs/dbraw/zinc/16/98/27/245169827.db2.gz ZYQVJKSEUKYJLY-RWMBFGLXSA-N 2 0 268.401 1.553 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)COc1cccc(F)c1 ZINC000422737915 245198442 /nfs/dbraw/zinc/19/84/42/245198442.db2.gz HXEVBZRDEMETJN-GXTWGEPZSA-N 2 0 284.375 1.937 10 0 CDAERP CCCC[NH+]1CCC([NH2+][C@H](CC)Cn2cncn2)CC1 ZINC000340468508 371069410 /nfs/dbraw/zinc/06/94/10/371069410.db2.gz FHDOZFNZHAREOC-CQSZACIVSA-N 2 0 279.432 1.911 10 0 CDAERP C[C@@H]([NH2+]CCn1cncn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272533610 371112413 /nfs/dbraw/zinc/11/24/13/371112413.db2.gz RBGJHMQYTKIJEH-WBVHZDCISA-N 2 0 299.422 1.778 10 0 CDAERP Cc1nccnc1CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000340488214 371116978 /nfs/dbraw/zinc/11/69/78/371116978.db2.gz GEYAACYQKXVZPC-FVQBIDKESA-N 2 0 274.412 1.790 10 0 CDAERP Cc1cc(CNC(=O)C[N@H+]2CC[C@H](C)C2)cc(C)n1 ZINC000572661490 371269129 /nfs/dbraw/zinc/26/91/29/371269129.db2.gz KUYODQVAPPLXFC-NSHDSACASA-N 2 0 261.369 1.656 10 0 CDAERP CC(C)NC(=O)CC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000377269171 371493574 /nfs/dbraw/zinc/49/35/74/371493574.db2.gz WQDZEFURLKKJTJ-CYBMUJFWSA-N 2 0 255.406 1.317 10 0 CDAERP [NH3+]C1CCC(OCC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000645561141 372085953 /nfs/dbraw/zinc/08/59/53/372085953.db2.gz JWUBAVKAPCYIKY-FUUBYGMNSA-N 2 0 295.427 1.016 10 0 CDAERP CSCC[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000172094888 372238107 /nfs/dbraw/zinc/23/81/07/372238107.db2.gz PFIBNVWICJVOCF-AWEZNQCLSA-N 2 0 271.474 1.451 10 0 CDAERP c1[nH]nc2c1[C@H]([NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000367620749 372650617 /nfs/dbraw/zinc/65/06/17/372650617.db2.gz RFIBFCZWLJKCBB-SMDDNHRTSA-N 2 0 260.385 1.861 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCCC(=O)OC)[C@H](C)C1 ZINC000175719220 372691816 /nfs/dbraw/zinc/69/18/16/372691816.db2.gz OQFNYYCEATXXPR-CHWSQXEVSA-N 2 0 256.390 1.602 10 0 CDAERP CC[C@H]1C[N@H+](CCCc2cncn2C)C[C@@]2(CCOC2)O1 ZINC000581318524 372942498 /nfs/dbraw/zinc/94/24/98/372942498.db2.gz WWOHIMMQCBGAEI-JKSUJKDBSA-N 2 0 293.411 1.623 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333380315 205273533 /nfs/dbraw/zinc/27/35/33/205273533.db2.gz NNFVFUWVPNQXAB-KBPBESRZSA-N 2 0 282.432 1.302 10 0 CDAERP COCC[NH2+]C1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000584414344 373730240 /nfs/dbraw/zinc/73/02/40/373730240.db2.gz QRFJMORAZIRBNI-CYBMUJFWSA-N 2 0 256.390 1.113 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000220093036 373889993 /nfs/dbraw/zinc/88/99/93/373889993.db2.gz LLRIMYRDOLAJQP-STQMWFEESA-N 2 0 255.406 1.223 10 0 CDAERP CC1([NH+]2CCCC2)CC[NH+](C[C@]2(O)CCCOC2)CC1 ZINC000639984161 373897189 /nfs/dbraw/zinc/89/71/89/373897189.db2.gz QUZXUOMXGXJMQX-MRXNPFEDSA-N 2 0 282.428 1.478 10 0 CDAERP O=C(NCCC[C@H]1CCC[NH2+]1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000418748801 374578533 /nfs/dbraw/zinc/57/85/33/374578533.db2.gz LIEOGHUZILRIEC-HUUCEWRRSA-N 2 0 292.427 1.174 10 0 CDAERP CC(C)n1cncc1C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000424199691 246384133 /nfs/dbraw/zinc/38/41/33/246384133.db2.gz ZFMXWWIZRTXYLQ-UHFFFAOYSA-N 2 0 293.459 1.580 10 0 CDAERP COc1cncc(C[NH2+]CC2CC[NH+](C)CC2)c1C ZINC000631065334 374870364 /nfs/dbraw/zinc/87/03/64/374870364.db2.gz QOLNDLZFUSHHSP-UHFFFAOYSA-N 2 0 263.385 1.830 10 0 CDAERP CC(C)n1ncnc1C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000631067722 374919123 /nfs/dbraw/zinc/91/91/23/374919123.db2.gz GCQWGVZQEQPTPY-AWEZNQCLSA-N 2 0 295.431 1.186 10 0 CDAERP CCN(C)C(=O)CC[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000130487028 375294356 /nfs/dbraw/zinc/29/43/56/375294356.db2.gz BXKZQUUSXRFQPA-AWEZNQCLSA-N 2 0 290.411 1.684 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000415933144 375496099 /nfs/dbraw/zinc/49/60/99/375496099.db2.gz FGJRFWYBOANKKE-ZDUSSCGKSA-N 2 0 292.383 1.240 10 0 CDAERP CCC(CC)[C@H](CNCc1nccn1C)[NH+](C)C ZINC000051921331 375589633 /nfs/dbraw/zinc/58/96/33/375589633.db2.gz YDRLLKSPLJDPNB-ZDUSSCGKSA-N 2 0 252.406 1.876 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC([NH+]2CCCOCC2)CC1 ZINC000627739173 375601939 /nfs/dbraw/zinc/60/19/39/375601939.db2.gz GPGAASDARQMFLO-UHFFFAOYSA-N 2 0 297.443 1.040 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CNC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)C1 ZINC000417241913 375741048 /nfs/dbraw/zinc/74/10/48/375741048.db2.gz SQCMWRZFCHFREB-DZGCQCFKSA-N 2 0 294.443 1.254 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1COc2cc(F)cc(F)c21 ZINC000643480645 376022932 /nfs/dbraw/zinc/02/29/32/376022932.db2.gz KKBZRHSKCSBEHV-ZYHUDNBSSA-N 2 0 286.322 1.742 10 0 CDAERP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc3oc(=O)n(C)c3c2)CC1 ZINC000631821149 376640131 /nfs/dbraw/zinc/64/01/31/376640131.db2.gz QIFOOGNASVTSGR-LLVKDONJSA-N 2 0 289.379 1.691 10 0 CDAERP C[C@@H](NC(=O)[C@H](C)N1CC[C@@](C)(C[NH3+])C1)c1ccccc1 ZINC000631825770 376656198 /nfs/dbraw/zinc/65/61/98/376656198.db2.gz UCRSEQWFQOLYSS-KEYYUXOJSA-N 2 0 289.423 1.923 10 0 CDAERP Cc1cccc(NC[C@H]2CC[N@@H+]([C@H](C)C(=O)N(C)C)C2)[nH+]1 ZINC000247455543 377120265 /nfs/dbraw/zinc/12/02/65/377120265.db2.gz ZUMYARSSZIWYID-ZIAGYGMSSA-N 2 0 290.411 1.601 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC(C)C ZINC001662234016 1172512645 /nfs/dbraw/zinc/51/26/45/1172512645.db2.gz GFDHKBJESLTAQB-KGLIPLIRSA-N 2 0 269.433 1.611 10 0 CDAERP C[NH2+][C@@H]1CCCN(C(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000334936523 377707222 /nfs/dbraw/zinc/70/72/22/377707222.db2.gz QMCBEZGZAFZTLW-CYBMUJFWSA-N 2 0 282.432 1.432 10 0 CDAERP CC[NH2+]CCCNC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000572104563 377708532 /nfs/dbraw/zinc/70/85/32/377708532.db2.gz OIOKTSPVTGFMFY-LBPRGKRZSA-N 2 0 278.400 1.505 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC1CC([NH+]2CCCCC2)C1 ZINC000335027547 377778506 /nfs/dbraw/zinc/77/85/06/377778506.db2.gz FLBLQDHYYYLDFF-URGYJCLVSA-N 2 0 251.418 1.591 10 0 CDAERP Cc1cc(C)c(CNC(=O)N2CC[C@H]([NH3+])[C@@H]2C)cn1 ZINC000334948830 377771055 /nfs/dbraw/zinc/77/10/55/377771055.db2.gz PMUCEALPMLATAY-AAEUAGOBSA-N 2 0 262.357 1.330 10 0 CDAERP [NH3+][C@H]1CCC[C@H]1C(=O)NC1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000261599818 377872058 /nfs/dbraw/zinc/87/20/58/377872058.db2.gz BCFIPUUBTSTPRY-SIGQOLJVSA-N 2 0 265.401 1.136 10 0 CDAERP C[C@H](CCC[NH3+])NC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000417539653 377916868 /nfs/dbraw/zinc/91/68/68/377916868.db2.gz VXZBCXKMVBKRIU-MCIONIFRSA-N 2 0 284.448 1.676 10 0 CDAERP [NH3+]C[C@H]1Cc2ccccc2N(C(=O)CC[NH2+]C2CC2)C1 ZINC000632870229 377946881 /nfs/dbraw/zinc/94/68/81/377946881.db2.gz VVXVVCTXEVMKOG-GFCCVEGCSA-N 2 0 273.380 1.293 10 0 CDAERP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000632916772 377977371 /nfs/dbraw/zinc/97/73/71/377977371.db2.gz PIWBSOZIXJLVIS-GHMZBOCLSA-N 2 0 286.339 1.221 10 0 CDAERP C[C@H](O)C[NH+]1CCC(C[NH2+]Cc2cccs2)CC1 ZINC000069349955 378021840 /nfs/dbraw/zinc/02/18/40/378021840.db2.gz UQHVANNGTSPRBP-LBPRGKRZSA-N 2 0 268.426 1.931 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425542303 378216674 /nfs/dbraw/zinc/21/66/74/378216674.db2.gz HBWYRLWZRXXRDH-CHWSQXEVSA-N 2 0 263.389 1.468 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000193316130 378273532 /nfs/dbraw/zinc/27/35/32/378273532.db2.gz QIIOUMBOHYZVSO-SLTAFYQDSA-N 2 0 281.444 1.837 10 0 CDAERP C[C@H](O)C[NH+]1CCC(C[NH2+]CCc2cccs2)CC1 ZINC000069565069 378309195 /nfs/dbraw/zinc/30/91/95/378309195.db2.gz OUVHJZUCKMCCHY-ZDUSSCGKSA-N 2 0 282.453 1.973 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+]2CCCCC2)CC[N@@H+]1C ZINC000633582390 378559400 /nfs/dbraw/zinc/55/94/00/378559400.db2.gz OJAHLWPWKUUPLH-LSDHHAIUSA-N 2 0 281.444 1.661 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](C[C@H](C)S(C)(=O)=O)CC1 ZINC000450260287 251198236 /nfs/dbraw/zinc/19/82/36/251198236.db2.gz BLIAWHABFLHLJL-ZDUSSCGKSA-N 2 0 290.473 1.473 10 0 CDAERP CC(=O)[C@](C)(O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000450608348 251365886 /nfs/dbraw/zinc/36/58/86/251365886.db2.gz IROZOVVFSSKEES-QGZVFWFLSA-N 2 0 296.455 1.914 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000041680246 184551122 /nfs/dbraw/zinc/55/11/22/184551122.db2.gz JIMRIAPHFNOPIW-ILXRZTDVSA-N 2 0 281.444 1.707 10 0 CDAERP [NH3+]C[C@H]1CCCC[C@H]1N1CC[NH+](CC2CC2)CC1 ZINC000042489652 184554320 /nfs/dbraw/zinc/55/43/20/184554320.db2.gz MCMCSVSUUQRZHG-HUUCEWRRSA-N 2 0 251.418 1.532 10 0 CDAERP COCCN1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422703831 285029112 /nfs/dbraw/zinc/02/91/12/285029112.db2.gz IYBJVFTYXSSECZ-YYIAUSFCSA-N 2 0 295.471 1.608 10 0 CDAERP Cc1ccncc1C[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000281001988 195063925 /nfs/dbraw/zinc/06/39/25/195063925.db2.gz WBSNSBCCFAJIRA-CQSZACIVSA-N 2 0 276.428 1.363 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C[NH3+])c2ccccc2)C1 ZINC000245381758 285232270 /nfs/dbraw/zinc/23/22/70/285232270.db2.gz FGGDTQHEBOMESC-HUUCEWRRSA-N 2 0 275.396 1.329 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@@]2([NH3+])CCC[C@H](C)C2)CC1 ZINC000080929380 177732608 /nfs/dbraw/zinc/73/26/08/177732608.db2.gz VVUSTBJTAPWLFR-XJKSGUPXSA-N 2 0 281.444 1.742 10 0 CDAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCC[NH3+] ZINC000398213374 390246889 /nfs/dbraw/zinc/24/68/89/390246889.db2.gz TWMGRDAGVCDHJR-HOCLYGCPSA-N 2 0 261.413 1.835 10 0 CDAERP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)[C@@H](C)[NH3+])o1 ZINC000647067941 390386692 /nfs/dbraw/zinc/38/66/92/390386692.db2.gz DQXGVNCPFGOXJC-GHMZBOCLSA-N 2 0 267.373 1.587 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000341704365 285381494 /nfs/dbraw/zinc/38/14/94/285381494.db2.gz GRBCXXXYQBQFEF-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@@H+]1CC[C@H](CN[C@@H]2C[C@H](C)[NH+](C)C[C@H]2C)C1 ZINC000249373849 285382191 /nfs/dbraw/zinc/38/21/91/285382191.db2.gz GELKOGQGFMOEPZ-LXTVHRRPSA-N 2 0 253.434 1.647 10 0 CDAERP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)CC1([NH3+])CCC1 ZINC000648198579 390949928 /nfs/dbraw/zinc/94/99/28/390949928.db2.gz ZWYAKCHHIZGQJZ-AWEZNQCLSA-N 2 0 273.380 1.343 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCC[NH+]2CCCCC2)C1 ZINC000377786609 390929276 /nfs/dbraw/zinc/92/92/76/390929276.db2.gz VHYYZVGGDAZYFO-MRXNPFEDSA-N 2 0 299.434 1.801 10 0 CDAERP NC(=O)[C@H](C[NH2+]C1CCC([NH3+])CC1)Cc1ccc(F)cc1 ZINC000415122133 391032143 /nfs/dbraw/zinc/03/21/43/391032143.db2.gz ZWFHMUGNYWJKTG-GRTSSRMGSA-N 2 0 293.386 1.329 10 0 CDAERP C[C@H]([NH3+])CCC(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000248879206 390978066 /nfs/dbraw/zinc/97/80/66/390978066.db2.gz RUSIKORPRIIIPQ-AVGNSLFASA-N 2 0 255.406 1.350 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](Nc3ncccn3)C2)CC[NH2+]1 ZINC000647552664 390998340 /nfs/dbraw/zinc/99/83/40/390998340.db2.gz QAGONJUQPDHZFY-MGPQQGTHSA-N 2 0 275.400 1.351 10 0 CDAERP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CC1(F)CC1 ZINC000527221679 391005985 /nfs/dbraw/zinc/00/59/85/391005985.db2.gz FNIIEZRAWIQGDD-JHJVBQTASA-N 2 0 256.365 1.672 10 0 CDAERP CC(C)[C@@H](Cn1cccn1)[NH2+]CCCC[NH+](C)C ZINC000306067507 391248788 /nfs/dbraw/zinc/24/87/88/391248788.db2.gz YPPHRVAQZNNNBR-CQSZACIVSA-N 2 0 252.406 1.839 10 0 CDAERP C(C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)[C@@H]1CCC[NH2+]C1 ZINC000647903033 391199310 /nfs/dbraw/zinc/19/93/10/391199310.db2.gz FEWDQXMJRGNBSS-ARFHVFGLSA-N 3 0 265.445 1.840 10 0 CDAERP [NH3+][C@H]1CCC[C@H](C(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000334492165 391325822 /nfs/dbraw/zinc/32/58/22/391325822.db2.gz HHSPYTDIQQFWJA-KBPBESRZSA-N 2 0 279.428 1.496 10 0 CDAERP CN(C(=O)CCC(C)(C)[NH3+])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000648105233 391338739 /nfs/dbraw/zinc/33/87/39/391338739.db2.gz GHUKYBQTPQUGAW-FOSCPWQOSA-N 2 0 253.390 1.245 10 0 CDAERP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCN2CCOC)CCO1 ZINC000648443767 391345671 /nfs/dbraw/zinc/34/56/71/391345671.db2.gz KWKMJNXKSDMQJT-SOUVJXGZSA-N 2 0 270.417 1.644 10 0 CDAERP CC(C)C[C@@H]([NH3+])CN1CCCC12CC[NH+](C)CC2 ZINC000414733977 391355880 /nfs/dbraw/zinc/35/58/80/391355880.db2.gz FKQJQHGFWVSHOE-CQSZACIVSA-N 2 0 253.434 1.920 10 0 CDAERP CSC1(C[NH2+][C@H]2CN(C)C[C@H]2C)CC[NH+](C)CC1 ZINC000353228066 391372949 /nfs/dbraw/zinc/37/29/49/391372949.db2.gz PWYWNCIIQLTSTA-OLZOCXBDSA-N 2 0 271.474 1.354 10 0 CDAERP C[NH+](C)CCCC1CCN(C(=O)NCCC[NH3+])CC1 ZINC000418355578 391377675 /nfs/dbraw/zinc/37/76/75/391377675.db2.gz PGMYJWSGYYSVTR-UHFFFAOYSA-N 2 0 270.421 1.099 10 0 CDAERP CC(C)[N@H+](C)CCN[C@@H]1CC[NH+](C)[C@H]2CCC[C@@H]21 ZINC000353497572 391393635 /nfs/dbraw/zinc/39/36/35/391393635.db2.gz PMLFJABIFPJKTD-KFWWJZLASA-N 2 0 253.434 1.789 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCC2CC(O)C2)[C@H]2CCC[C@@H]21 ZINC000353606230 391396980 /nfs/dbraw/zinc/39/69/80/391396980.db2.gz MVHCWZDFBOZGGF-IFOPZJACSA-N 2 0 252.402 1.610 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@H](O)C2)[C@H]2CCC[C@@H]21 ZINC000353685554 391399933 /nfs/dbraw/zinc/39/99/33/391399933.db2.gz ISWHQQRIODYXKL-SEBNEYGDSA-N 2 0 252.402 1.610 10 0 CDAERP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1=O ZINC000358195872 391542338 /nfs/dbraw/zinc/54/23/38/391542338.db2.gz CYAMLCSMNCHNMZ-RYPNDVFKSA-N 2 0 277.412 1.212 10 0 CDAERP C[C@H]([NH3+])CCC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000070317088 391501160 /nfs/dbraw/zinc/50/11/60/391501160.db2.gz CQJZWFBCMCCWMD-STQMWFEESA-N 2 0 255.406 1.352 10 0 CDAERP C(CC1CC[NH2+]CC1)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000647987672 391637882 /nfs/dbraw/zinc/63/78/82/391637882.db2.gz PNPKKROLKUNBHT-INIZCTEOSA-N 3 0 265.445 1.842 10 0 CDAERP C[C@@H](CN[C@@H]1CCC[NH2+]CC1)C[NH+]1CCCCC1 ZINC000129163256 391614038 /nfs/dbraw/zinc/61/40/38/391614038.db2.gz GKSPKVPEUNAAGG-LSDHHAIUSA-N 2 0 253.434 1.840 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)[NH2+][C@H](C)CC(=O)Nc1ccc(F)cc1 ZINC000415007256 391711083 /nfs/dbraw/zinc/71/10/83/391711083.db2.gz CLVUPJISDLEHCI-MXWKQRLJSA-N 2 0 267.348 1.868 10 0 CDAERP c1csc(N2CCC([NH2+][C@@H]3CCCC[NH2+]C3)CC2)n1 ZINC000415067711 391743030 /nfs/dbraw/zinc/74/30/30/391743030.db2.gz LCPFYMWFJCHRPH-CYBMUJFWSA-N 2 0 280.441 1.844 10 0 CDAERP COc1ccc(OC)c(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000415041838 391734681 /nfs/dbraw/zinc/73/46/81/391734681.db2.gz QEPDCDHIISPVDC-YPMHNXCESA-N 2 0 264.369 1.921 10 0 CDAERP CO[C@H](C)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000182140634 391839360 /nfs/dbraw/zinc/83/93/60/391839360.db2.gz LYTCZFOBUGYUKD-QWHCGFSZSA-N 2 0 258.406 1.046 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000334581736 391900242 /nfs/dbraw/zinc/90/02/42/391900242.db2.gz DZOVLKLAUFQZMT-LBPRGKRZSA-N 2 0 265.401 1.119 10 0 CDAERP C[NH+]1CCC2(CC1)C[N@H+](CCC[C@@H]1CCOC1)CCO2 ZINC000646106574 392016151 /nfs/dbraw/zinc/01/61/51/392016151.db2.gz BEHFHHSLOVAVBT-OAHLLOKOSA-N 2 0 282.428 1.600 10 0 CDAERP CC(C)(C)[C@@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C[C@H]1O ZINC000261914606 392026494 /nfs/dbraw/zinc/02/64/94/392026494.db2.gz JQEOZIQETFOMFB-MGPQQGTHSA-N 2 0 254.418 1.715 10 0 CDAERP CCOC(=O)CC1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000262118836 392033488 /nfs/dbraw/zinc/03/34/88/392033488.db2.gz XCJXWSVKWDPXHI-OAHLLOKOSA-N 2 0 268.401 1.651 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@@H](O)C(C)(C)C)CC1 ZINC000336846049 392114775 /nfs/dbraw/zinc/11/47/75/392114775.db2.gz ISKPGZQNDJOHHL-HZPDHXFCSA-N 2 0 297.487 1.495 10 0 CDAERP C(C[NH+]1CCC(c2nnc3n2CCC3)CC1)[C@@H]1CC[NH2+]C1 ZINC000649411827 392195542 /nfs/dbraw/zinc/19/55/42/392195542.db2.gz HYMSJKZMTJUQJY-ZDUSSCGKSA-N 2 0 289.427 1.403 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000423098338 392342409 /nfs/dbraw/zinc/34/24/09/392342409.db2.gz KKXCCIOJKKCSCB-CRWXNKLISA-N 2 0 258.406 1.534 10 0 CDAERP C[C@H]([NH2+][C@@H]1CC(=O)N(Cc2ccccc2)[C@H]1C)C1C[NH2+]C1 ZINC000423099644 392342902 /nfs/dbraw/zinc/34/29/02/392342902.db2.gz MCRKKDQVVOLTSU-HEHGZKQESA-N 2 0 287.407 1.374 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000458165511 392396176 /nfs/dbraw/zinc/39/61/76/392396176.db2.gz KZBCQAUKGNZIHT-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP O=C(C[C@H]1CC[NH2+]C1)NC1CC([NH+]2CCCCC2)C1 ZINC000646469479 392468901 /nfs/dbraw/zinc/46/89/01/392468901.db2.gz BEOHBQVVAKRCEL-IYXRBSQSSA-N 2 0 265.401 1.119 10 0 CDAERP c1ccc(C[NH+]2CCC(N[C@@H]3CCCC[NH2+]C3)CC2)nc1 ZINC000423571367 392599543 /nfs/dbraw/zinc/59/95/43/392599543.db2.gz XKDPZTHWEAMDAX-MRXNPFEDSA-N 2 0 288.439 1.778 10 0 CDAERP CC(C)[NH2+]CCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000517019738 392813724 /nfs/dbraw/zinc/81/37/24/392813724.db2.gz JWYIAPKCNNMOEU-MJBXVCDLSA-N 2 0 267.417 1.411 10 0 CDAERP COC[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268872526 132081437 /nfs/dbraw/zinc/08/14/37/132081437.db2.gz GLJANBQOMIUQIN-USXIJHARSA-N 2 0 292.423 1.494 10 0 CDAERP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)CC(F)(F)F)CCN1C ZINC000189504162 393079244 /nfs/dbraw/zinc/07/92/44/393079244.db2.gz ODGTUKYIWHEQRX-OUAUKWLOSA-N 2 0 268.323 1.714 10 0 CDAERP O[C@@H]1C[C@@H]([C@@H]2CCCOC2)[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000451297695 393207752 /nfs/dbraw/zinc/20/77/52/393207752.db2.gz DAGCVJYLKWRFQX-ZACQAIPSSA-N 2 0 296.455 1.724 10 0 CDAERP C[NH+](C)C[C@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)c1ccccc1 ZINC000649281395 393314687 /nfs/dbraw/zinc/31/46/87/393314687.db2.gz DQWOPQFJCWXHHX-MJBXVCDLSA-N 2 0 261.369 1.143 10 0 CDAERP Cc1ccc(O)c(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)n1 ZINC000459740396 393333994 /nfs/dbraw/zinc/33/39/94/393333994.db2.gz UETGNKDKKAUHHI-CYBMUJFWSA-N 2 0 263.385 1.917 10 0 CDAERP [NH3+]CCC[NH2+]C1(c2ccc(F)cc2F)CCOCC1 ZINC000414711903 483288263 /nfs/dbraw/zinc/28/82/63/483288263.db2.gz RUTOJUFIPWBALT-UHFFFAOYSA-N 2 0 270.323 1.909 10 0 CDAERP CC[C@H]([NH2+]C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000662506797 413076044 /nfs/dbraw/zinc/07/60/44/413076044.db2.gz FUCFRTJAABPUEY-BPCQOVAHSA-N 2 0 255.406 1.221 10 0 CDAERP COC[C@H](CCC[NH3+])Nc1ccc(N2CCCC2)nc1 ZINC000234731800 140231007 /nfs/dbraw/zinc/23/10/07/140231007.db2.gz DRACMWOQPBNWCK-AWEZNQCLSA-N 2 0 278.400 1.848 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000245392058 140263678 /nfs/dbraw/zinc/26/36/78/140263678.db2.gz AESMMFAHZHEPQJ-LSDHHAIUSA-N 2 0 294.443 1.350 10 0 CDAERP O=C(CC[C@H]1CC[NH2+]C1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000250835970 140306533 /nfs/dbraw/zinc/30/65/33/140306533.db2.gz KUSNJJRNOYWTAZ-KBPBESRZSA-N 2 0 265.401 1.073 10 0 CDAERP NCc1nc(CN(CCc2ccc(F)cc2)C2CC2)no1 ZINC000261816951 140394405 /nfs/dbraw/zinc/39/44/05/140394405.db2.gz RYHVQPHGIDVFBU-UHFFFAOYSA-N 2 0 290.342 1.875 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CCC[C@H]2[NH3+])[C@H](C)C1 ZINC000261839224 140396786 /nfs/dbraw/zinc/39/67/86/140396786.db2.gz UWCZXPIJXIGYTH-BARDWOONSA-N 2 0 281.444 1.693 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC[NH2+]1 ZINC000262324506 140425484 /nfs/dbraw/zinc/42/54/84/140425484.db2.gz DBJRUSZLAPOLCK-IHRRRGAJSA-N 2 0 283.460 1.857 10 0 CDAERP C[NH+](C)[C@H]1CCCN(CCO[C@@H]2CC2(F)F)CC1 ZINC000660416197 413110734 /nfs/dbraw/zinc/11/07/34/413110734.db2.gz OOCGUHCEBIGXQU-NWDGAFQWSA-N 2 0 262.344 1.827 10 0 CDAERP CC(C)C[N@H+](CCNC(=O)C[NH+](C)C(C)C)C1CC1 ZINC001663777054 1172759330 /nfs/dbraw/zinc/75/93/30/1172759330.db2.gz FLSNCQUNULWBIX-UHFFFAOYSA-N 2 0 269.433 1.563 10 0 CDAERP O=C(CC[NH2+]C1CC1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662591407 413158658 /nfs/dbraw/zinc/15/86/58/413158658.db2.gz SGWXMCKOGFINME-CQSZACIVSA-N 2 0 279.428 1.367 10 0 CDAERP CCC[NH+]1CCC([NH2+]C[C@@H](OC)[C@H]2CCOC2)CC1 ZINC000658071255 413171714 /nfs/dbraw/zinc/17/17/14/413171714.db2.gz DDMBDVCINQOBQG-DZGCQCFKSA-N 2 0 270.417 1.502 10 0 CDAERP O=C(CN1CCC[C@]2(CC[NH2+]C2)C1)NCc1ccccc1 ZINC000420356462 397699549 /nfs/dbraw/zinc/69/95/49/397699549.db2.gz CZFMIGLDTQCUKD-QGZVFWFLSA-N 2 0 287.407 1.378 10 0 CDAERP CCC[C@]1([NH2+]C[C@H](O)C[N@H+](C)C(C)C)CCOC1 ZINC000394100438 397801464 /nfs/dbraw/zinc/80/14/64/397801464.db2.gz TUQOEOWTZVNQQD-KBPBESRZSA-N 2 0 258.406 1.236 10 0 CDAERP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)o1 ZINC000647001066 397805055 /nfs/dbraw/zinc/80/50/55/397805055.db2.gz BXDBUMOOSYLTAI-OCCSQVGLSA-N 2 0 293.411 1.849 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000389040479 397816417 /nfs/dbraw/zinc/81/64/17/397816417.db2.gz MXYSBLFUSFECQW-UONOGXRCSA-N 2 0 267.417 1.365 10 0 CDAERP CC[NH+]1CCC(NC(=O)NCCC[N@H+](C)CC(C)C)CC1 ZINC000650570030 398058107 /nfs/dbraw/zinc/05/81/07/398058107.db2.gz MEZSJDQCFMFIEE-UHFFFAOYSA-N 2 0 298.475 1.748 10 0 CDAERP COC1([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)CCOCC1 ZINC000453246504 292135789 /nfs/dbraw/zinc/13/57/89/292135789.db2.gz VGQUOSHUKXQFQX-CHWSQXEVSA-N 2 0 258.406 1.358 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000662619551 413201618 /nfs/dbraw/zinc/20/16/18/413201618.db2.gz MMDXZRHNFRCBNZ-OLZOCXBDSA-N 2 0 267.417 1.365 10 0 CDAERP CCCC[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001664036581 1172804125 /nfs/dbraw/zinc/80/41/25/1172804125.db2.gz MDCWSUZTFNSLFE-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H]1C[N@H+](CCC[NH+]2CCCC2)C[C@@H]1N1CCOCC1 ZINC000179254233 148102656 /nfs/dbraw/zinc/10/26/56/148102656.db2.gz RVSMXDPIDQIXGO-CVEARBPZSA-N 2 0 281.444 1.125 10 0 CDAERP CC(C)[NH+]1CCC(N(C)C(=O)[C@H]([NH3+])C2CCOCC2)CC1 ZINC000262018654 149002284 /nfs/dbraw/zinc/00/22/84/149002284.db2.gz OPSOOMXFGHIHES-OAHLLOKOSA-N 2 0 297.443 1.072 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)[N@@H+]1CCC[C@H](C)C1 ZINC000262429000 149063796 /nfs/dbraw/zinc/06/37/96/149063796.db2.gz RJVDEEPTUVEFPB-AJNGGQMLSA-N 2 0 281.444 1.611 10 0 CDAERP COCC[C@@H](COC)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000310782938 149201697 /nfs/dbraw/zinc/20/16/97/149201697.db2.gz BZEMVDNDOSEZSM-AWEZNQCLSA-N 2 0 258.406 1.500 10 0 CDAERP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N1CC[NH+]2CCC1CC2 ZINC000335039603 150215281 /nfs/dbraw/zinc/21/52/81/150215281.db2.gz ULJRLONCPYDLJN-HUUCEWRRSA-N 2 0 279.428 1.591 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N[C@@H](C)C[NH+](C)C)CC1 ZINC000352556891 155269715 /nfs/dbraw/zinc/26/97/15/155269715.db2.gz GUIDGCVPSDYTSY-ZDUSSCGKSA-N 2 0 284.448 1.358 10 0 CDAERP Cc1ccc([C@H](C)[N@H+](C)CC(=O)N2CC[NH2+]CC2)c(C)c1 ZINC000038030908 292239880 /nfs/dbraw/zinc/23/98/80/292239880.db2.gz USSZKAGFPBNYHY-HNNXBMFYSA-N 2 0 289.423 1.728 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCC[N@H+](C)C2CCCC2)C1 ZINC000654431065 413274994 /nfs/dbraw/zinc/27/49/94/413274994.db2.gz WPFVSUBCVFDACN-OTVXOJSOSA-N 2 0 296.459 1.500 10 0 CDAERP C[C@@H](CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[N@H+](C)C1CC1 ZINC000654429204 413274444 /nfs/dbraw/zinc/27/44/44/413274444.db2.gz JOLUNZGQQIAHDX-SGMGOOAPSA-N 2 0 282.432 1.109 10 0 CDAERP CC[NH+](CC)CC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000662686330 413312514 /nfs/dbraw/zinc/31/25/14/413312514.db2.gz MCHSCTPKOYVXEK-OAHLLOKOSA-N 2 0 291.395 1.628 10 0 CDAERP C[C@H](CNC(=O)C1([NH2+]C2CC2)CCC1)[NH+]1CCC(C)CC1 ZINC000662701660 413344011 /nfs/dbraw/zinc/34/40/11/413344011.db2.gz RMSCLBVGFFRCGD-CQSZACIVSA-N 2 0 293.455 1.898 10 0 CDAERP CC[C@@H](C[NH+]1CCCC1)NC(=O)N(CC)[C@@H]1CC[N@H+](C)C1 ZINC000664406599 413355961 /nfs/dbraw/zinc/35/59/61/413355961.db2.gz AWCJZFJBJAZQMT-LSDHHAIUSA-N 2 0 296.459 1.596 10 0 CDAERP O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1C[NH2+]C1 ZINC000365017919 159376665 /nfs/dbraw/zinc/37/66/65/159376665.db2.gz OCIIRRMHHHMNCH-HNNXBMFYSA-N 2 0 287.407 1.234 10 0 CDAERP CCSCC[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372743371 160145972 /nfs/dbraw/zinc/14/59/72/160145972.db2.gz ROZQZZHATOHEPP-CYBMUJFWSA-N 2 0 271.474 1.498 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662754440 413435632 /nfs/dbraw/zinc/43/56/32/413435632.db2.gz NPWYMBSODKGMHW-RISCZKNCSA-N 2 0 277.412 1.260 10 0 CDAERP C[C@@H]1CN(C(=O)NC2CCC(C[NH+](C)C)CC2)CC[C@@H]1[NH3+] ZINC000334923327 296824916 /nfs/dbraw/zinc/82/49/16/296824916.db2.gz HBTWJHXHTPVAIZ-URGYJCLVSA-N 2 0 296.459 1.486 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)N1CC(C)(C)[C@@H]1c1nccn1C ZINC000662759986 413448974 /nfs/dbraw/zinc/44/89/74/413448974.db2.gz UYESYWUVQQPNBR-RYUDHWBXSA-N 2 0 294.399 1.082 10 0 CDAERP CCC[NH+]1CCN([C@H](C[NH3+])c2cccs2)CC1 ZINC000020179371 171044264 /nfs/dbraw/zinc/04/42/64/171044264.db2.gz FJSCLQRVMDRHCJ-GFCCVEGCSA-N 2 0 253.415 1.776 10 0 CDAERP C[C@H]([NH3+])c1cc(F)ccc1N1CCC[N@H+](C)CC1 ZINC000020217773 171081059 /nfs/dbraw/zinc/08/10/59/171081059.db2.gz AXLCEZNKCVBELB-NSHDSACASA-N 2 0 251.349 1.987 10 0 CDAERP CC[NH+]1CCN([C@H]2CCc3ccccc3[C@H]2[NH3+])CC1 ZINC000020260057 171116251 /nfs/dbraw/zinc/11/62/51/171116251.db2.gz JGUWWGISIWAEJN-JKSUJKDBSA-N 2 0 259.397 1.639 10 0 CDAERP C[NH+]1CCN(CC[C@H]([NH3+])c2ccc(Cl)cc2)CC1 ZINC000020273994 171130998 /nfs/dbraw/zinc/13/09/98/171130998.db2.gz VVUHIJFKLKMPID-AWEZNQCLSA-N 2 0 267.804 1.977 10 0 CDAERP CC[NH+]1CCN(C[C@@H]([NH3+])c2ccc(OC)c(OC)c2)CC1 ZINC000022566212 171391690 /nfs/dbraw/zinc/39/16/90/171391690.db2.gz DUAYIBCOQHLANM-CQSZACIVSA-N 2 0 293.411 1.341 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)COC1CCC([NH3+])CC1 ZINC000653176335 412116903 /nfs/dbraw/zinc/11/69/03/412116903.db2.gz QRBBPUZSWYBAPI-UHFFFAOYSA-N 2 0 299.459 1.367 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)CC2([NH3+])CC2)C1 ZINC000662789023 413499096 /nfs/dbraw/zinc/49/90/96/413499096.db2.gz ZKXOWJPCFPFCOP-HZSPNIEDSA-N 2 0 279.428 1.732 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000662866558 413629571 /nfs/dbraw/zinc/62/95/71/413629571.db2.gz MWCUBCOUZZXLDA-NILFDRSVSA-N 2 0 293.386 1.515 10 0 CDAERP C[C@H](CCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)[NH+](C)C ZINC000662858678 413620067 /nfs/dbraw/zinc/62/00/67/413620067.db2.gz HJPZTRASGVFXIY-MQYQWHSLSA-N 2 0 267.417 1.364 10 0 CDAERP CN(C(=O)C1([NH3+])CC2(CCC2)C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000659295862 413687606 /nfs/dbraw/zinc/68/76/06/413687606.db2.gz UMULIXLWCBHESB-CYBMUJFWSA-N 2 0 277.412 1.343 10 0 CDAERP O=C(NCC[NH2+]C1CCCCCC1)NCC12CC(C1)C[NH2+]2 ZINC000659524585 413924540 /nfs/dbraw/zinc/92/45/40/413924540.db2.gz UPLTYHBHZTXRPF-UHFFFAOYSA-N 2 0 294.443 1.350 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1)C[NH+]1CCCCC1 ZINC000407366803 413946089 /nfs/dbraw/zinc/94/60/89/413946089.db2.gz KETNFPIPLWSLNA-FVQBIDKESA-N 2 0 293.455 1.755 10 0 CDAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](CO)C1CCC1 ZINC000665234847 413964449 /nfs/dbraw/zinc/96/44/49/413964449.db2.gz KUUXCMZECZVAPN-IAQYHMDHSA-N 2 0 263.385 1.660 10 0 CDAERP CC(C)[C@H]([NH3+])CCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000665283422 414019148 /nfs/dbraw/zinc/01/91/48/414019148.db2.gz NLCXPVCVTLOFOW-LJISPDSOSA-N 2 0 269.433 1.107 10 0 CDAERP Cc1ccncc1CC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000665239793 413969102 /nfs/dbraw/zinc/96/91/02/413969102.db2.gz ZGFWXWBOPDVHKG-BRWVUGGUSA-N 2 0 289.423 1.679 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H](OC)C1CCCCC1 ZINC000665283598 414019238 /nfs/dbraw/zinc/01/92/38/414019238.db2.gz QKPWXNUZCCNYLV-GJZGRUSLSA-N 2 0 272.433 1.925 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]1NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000665240553 413971063 /nfs/dbraw/zinc/97/10/63/413971063.db2.gz NJZGQJVAAHZHKS-BBWFWOEESA-N 2 0 289.423 1.223 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1nccc(OC)c1F ZINC000665266427 413996696 /nfs/dbraw/zinc/99/66/96/413996696.db2.gz AXZFGZCSVVBHQW-SNVBAGLBSA-N 2 0 271.336 1.073 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](OC)C1CCCCC1 ZINC000665283600 414020166 /nfs/dbraw/zinc/02/01/66/414020166.db2.gz QKPWXNUZCCNYLV-LSDHHAIUSA-N 2 0 272.433 1.925 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000659620795 414029190 /nfs/dbraw/zinc/02/91/90/414029190.db2.gz QDPQYTUBIYNKNZ-FRRDWIJNSA-N 2 0 270.421 1.129 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC000655131865 414081127 /nfs/dbraw/zinc/08/11/27/414081127.db2.gz UXTIWAGCPZVUCR-UONOGXRCSA-N 2 0 282.432 1.205 10 0 CDAERP CCCN(C(=O)C[NH+]1CC[C@@H](C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000655157409 414125769 /nfs/dbraw/zinc/12/57/69/414125769.db2.gz CFELTZZFYGSDBD-ZIAGYGMSSA-N 2 0 267.417 1.271 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000665361880 414109270 /nfs/dbraw/zinc/10/92/70/414109270.db2.gz WUIDZPJUUHNWIZ-ZDUSSCGKSA-N 2 0 284.448 1.452 10 0 CDAERP CCN1CCC[C@H]1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657288445 414111339 /nfs/dbraw/zinc/11/13/39/414111339.db2.gz BRNQCWFVCHSDKT-HNNXBMFYSA-N 2 0 285.395 1.841 10 0 CDAERP C[C@H](Cn1cccn1)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657308163 414160903 /nfs/dbraw/zinc/16/09/03/414160903.db2.gz WJSAKGJZCVIQQY-CYBMUJFWSA-N 2 0 282.351 1.642 10 0 CDAERP CC(C)n1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cn1 ZINC000655826071 414222978 /nfs/dbraw/zinc/22/29/78/414222978.db2.gz FKFJLZIFPOTRJK-XBXGTLAGSA-N 2 0 250.390 1.894 10 0 CDAERP COCCN1CC[C@@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000663344624 414168562 /nfs/dbraw/zinc/16/85/62/414168562.db2.gz CVAUGSFJWIUEHA-IAGOWNOFSA-N 2 0 295.471 1.419 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000655806287 414197907 /nfs/dbraw/zinc/19/79/07/414197907.db2.gz UJUKMUNXGDDDNG-FZNQNYSPSA-N 3 0 265.445 1.791 10 0 CDAERP O[C@@H](C[NH2+]CC1CC[NH+](CC2CC2)CC1)C(F)(F)F ZINC000663375935 414198305 /nfs/dbraw/zinc/19/83/05/414198305.db2.gz XTOJRKGEFWMPRG-LBPRGKRZSA-N 2 0 280.334 1.621 10 0 CDAERP COC[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)C1CCOCC1 ZINC000655806068 414199095 /nfs/dbraw/zinc/19/90/95/414199095.db2.gz YORFBXJFRLVOLZ-CFVMTHIKSA-N 2 0 270.417 1.358 10 0 CDAERP CC[C@@H]1C[C@@H]([NH2+]C[C@@H](C)CN2CC[NH+](CC)CC2)CO1 ZINC000657347813 414204614 /nfs/dbraw/zinc/20/46/14/414204614.db2.gz YBUJADLKRYEYJV-BZUAXINKSA-N 2 0 283.460 1.417 10 0 CDAERP C[NH+]1CCC(CC[NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC000657348265 414210028 /nfs/dbraw/zinc/21/00/28/414210028.db2.gz PYEYFGKQAIDMLY-UHFFFAOYSA-N 2 0 262.401 1.651 10 0 CDAERP OCCC1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCC1 ZINC000657401406 414288882 /nfs/dbraw/zinc/28/88/82/414288882.db2.gz UEXTUSLGZXWMNH-UHFFFAOYSA-N 2 0 286.379 1.910 10 0 CDAERP CCN(C(=O)N[C@@H](C)C[NH+]1CCCCC1)[C@H]1CC[N@H+](C)C1 ZINC000663640652 414384673 /nfs/dbraw/zinc/38/46/73/414384673.db2.gz GFLLQHOYTFEBNN-GJZGRUSLSA-N 2 0 296.459 1.596 10 0 CDAERP C[NH+](C)CCC[C@H]1CN(CC[NH2+]C(C)(C)C)CCO1 ZINC000663514821 414321029 /nfs/dbraw/zinc/32/10/29/414321029.db2.gz UHVJDQJOUCIEBI-AWEZNQCLSA-N 2 0 271.449 1.417 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000663775149 414454391 /nfs/dbraw/zinc/45/43/91/414454391.db2.gz DOXUBFZXNAKVLU-CYBMUJFWSA-N 2 0 284.448 1.500 10 0 CDAERP C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(C[NH3+])cc1 ZINC000037910055 173843650 /nfs/dbraw/zinc/84/36/50/173843650.db2.gz DHLUNWTZRMXOON-GFCCVEGCSA-N 2 0 261.369 1.958 10 0 CDAERP C([C@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000662255500 414590015 /nfs/dbraw/zinc/59/00/15/414590015.db2.gz CJWKVOHZPSARGB-MGPQQGTHSA-N 2 0 282.453 1.867 10 0 CDAERP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000662255492 414590215 /nfs/dbraw/zinc/59/02/15/414590215.db2.gz CJWKVOHZPSARGB-BFHYXJOUSA-N 2 0 282.453 1.867 10 0 CDAERP C(C1CCCCC1)[N@H+]1CCCN(C[C@H]2C[NH2+]CCO2)CC1 ZINC000662260497 414595775 /nfs/dbraw/zinc/59/57/75/414595775.db2.gz NIUQUWRQBXYOPV-QGZVFWFLSA-N 2 0 295.471 1.563 10 0 CDAERP CC[C@H]([NH2+]C[C@H]1CCC2(C[NH2+]C2)O1)c1c(C)noc1C ZINC000662280502 414611277 /nfs/dbraw/zinc/61/12/77/414611277.db2.gz FMUKDGWPQVPAAS-OLZOCXBDSA-N 2 0 279.384 1.853 10 0 CDAERP C[C@@H](Cn1cccn1)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000662284377 414613510 /nfs/dbraw/zinc/61/35/10/414613510.db2.gz XITOYGLEXJMIFK-ZDUSSCGKSA-N 2 0 270.380 1.707 10 0 CDAERP C[C@@H](CNC(=O)c1ccc(C[NH3+])cc1)[NH+]1CCCCC1 ZINC000038029432 174020367 /nfs/dbraw/zinc/02/03/67/174020367.db2.gz OGTWWDMDGAFCGO-ZDUSSCGKSA-N 2 0 275.396 1.750 10 0 CDAERP CC(C)[NH2+]CCC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000038101769 174117933 /nfs/dbraw/zinc/11/79/33/174117933.db2.gz UZCKZGSQMCOKBR-UHFFFAOYSA-N 2 0 267.417 1.461 10 0 CDAERP NC(=[NH2+])c1ccc(OCC[NH+]2CCCC2)c(F)c1 ZINC000040240133 174212684 /nfs/dbraw/zinc/21/26/84/174212684.db2.gz JHTPKVIUNMOEAH-UHFFFAOYSA-N 2 0 251.305 1.584 10 0 CDAERP CCC(CC)[N@@H+]1CCC[C@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508146 174303596 /nfs/dbraw/zinc/30/35/96/174303596.db2.gz PMFRHLDMOYFFII-ZDUSSCGKSA-N 2 0 253.390 1.071 10 0 CDAERP CCC[NH+]1CCC(C[NH3+])(N2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000043424939 175039783 /nfs/dbraw/zinc/03/97/83/175039783.db2.gz OOEDROMGPPWIFE-JKSUJKDBSA-N 2 0 295.471 1.833 10 0 CDAERP CCOC(=O)[C@@H](C)C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000043613376 175079123 /nfs/dbraw/zinc/07/91/23/175079123.db2.gz QGSPDLRFNMYKBE-RYUDHWBXSA-N 2 0 254.374 1.260 10 0 CDAERP CCOC(=O)C[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000043618136 175080258 /nfs/dbraw/zinc/08/02/58/175080258.db2.gz KUFZQRFNRKFFRN-NWDGAFQWSA-N 2 0 254.374 1.402 10 0 CDAERP CC[NH+]1CCN(C[C@H]([NH2+]C)c2cccc(OC)c2)CC1 ZINC000043805793 175107778 /nfs/dbraw/zinc/10/77/78/175107778.db2.gz KUHKMVVANVZNDU-INIZCTEOSA-N 2 0 277.412 1.593 10 0 CDAERP C[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccc(OC)cc1OC ZINC000043810363 175109421 /nfs/dbraw/zinc/10/94/21/175109421.db2.gz NFGLTUGEUZGPGC-OAHLLOKOSA-N 2 0 293.411 1.212 10 0 CDAERP CCC[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000043810921 175110043 /nfs/dbraw/zinc/11/00/43/175110043.db2.gz CWICYZSBLLNVRW-INIZCTEOSA-N 2 0 261.413 1.975 10 0 CDAERP CCC[NH2+][C@H]1CCCCC[C@@H]1N1CC[NH+](C)CC1 ZINC000043810947 175110535 /nfs/dbraw/zinc/11/05/35/175110535.db2.gz QLRCQJMJECRYNY-GJZGRUSLSA-N 2 0 253.434 1.935 10 0 CDAERP C[NH2+][C@@H]1c2ccccc2OC[C@@H]1N1CCC[N@H+](C)CC1 ZINC000043818227 175112932 /nfs/dbraw/zinc/11/29/32/175112932.db2.gz ARNAYQPOAPWWRD-GOEBONIOSA-N 2 0 275.396 1.346 10 0 CDAERP CCC[NH2+][C@H]1CCOC[C@@H]1N1CC[NH+](C(C)(C)C)CC1 ZINC000043965726 175126949 /nfs/dbraw/zinc/12/69/49/175126949.db2.gz DNVLYFZCCNAHEU-GJZGRUSLSA-N 2 0 283.460 1.560 10 0 CDAERP C[NH2+][C@H]1c2ccccc2C[C@@H]1N1CC[NH+](C2CC2)CC1 ZINC000043967551 175128561 /nfs/dbraw/zinc/12/85/61/175128561.db2.gz OIUBTBUXKDWHSG-IRXDYDNUSA-N 2 0 271.408 1.652 10 0 CDAERP CC[NH2+][C@@H]1CCN(C[C@@H]2CCC[N@H+](C)C2)C[C@@H]1C ZINC000044537383 175199466 /nfs/dbraw/zinc/19/94/66/175199466.db2.gz MNTWTCRQUSKHBF-RRFJBIMHSA-N 2 0 253.434 1.648 10 0 CDAERP C[C@@H]1C[NH2+][C@H](C)CCN(C[C@@H]2CCCC[N@@H+]2C)C1 ZINC000044564227 175207575 /nfs/dbraw/zinc/20/75/75/175207575.db2.gz URQICHZHHBYKOE-KFWWJZLASA-N 2 0 253.434 1.791 10 0 CDAERP CCC[NH2+]CC(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000044650667 175224208 /nfs/dbraw/zinc/22/42/08/175224208.db2.gz ZCCFYSQEVUZSSI-UHFFFAOYSA-N 2 0 269.433 1.566 10 0 CDAERP c1ccc2c(c1)CC[NH2+][C@@H]2CN[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044679478 175228519 /nfs/dbraw/zinc/22/85/19/175228519.db2.gz AWIMYVNAYFHLSB-RHSMWYFYSA-N 2 0 271.408 1.700 10 0 CDAERP [NH3+]CC1(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CCCCC1 ZINC000044764447 175248454 /nfs/dbraw/zinc/24/84/54/175248454.db2.gz XXVHTMYGDJFKGZ-GFCCVEGCSA-N 2 0 265.401 1.249 10 0 CDAERP CCC[NH2+][C@@H]1CCN(C[C@@H]2CC[N@@H+](C(C)C)C2)C1=O ZINC000045135368 175312530 /nfs/dbraw/zinc/31/25/30/175312530.db2.gz TYFXDPMOWMZFEO-ZIAGYGMSSA-N 2 0 267.417 1.317 10 0 CDAERP Cc1nccn1CC[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000045134658 175312762 /nfs/dbraw/zinc/31/27/62/175312762.db2.gz OFXKQBLBBDCPST-AWEZNQCLSA-N 2 0 250.390 1.511 10 0 CDAERP C[NH2+][C@H]1CCN(C[C@@H]2CC[N@@H+](C(C)C)C2)[C@@H](C)C1 ZINC000045135389 175313428 /nfs/dbraw/zinc/31/34/28/175313428.db2.gz UWYZRJHDXDMVNE-ZNMIVQPWSA-N 2 0 253.434 1.789 10 0 CDAERP CCC[NH2+][C@](C)(CCC[N@H+](C)[C@@H](C)CC)C(N)=O ZINC000045381450 175370280 /nfs/dbraw/zinc/37/02/80/175370280.db2.gz IZAOYQCSYDLJBM-GXTWGEPZSA-N 2 0 257.422 1.741 10 0 CDAERP CCC[NH2+][C@](C)(CCC[NH+]1CCC(OC)CC1)C(N)=O ZINC000045389187 175373705 /nfs/dbraw/zinc/37/37/05/175373705.db2.gz OADOBMLLNSCVTL-OAHLLOKOSA-N 2 0 285.432 1.121 10 0 CDAERP CCOC(=O)[C@](C)([NH3+])CCCN1CC[NH+](C(C)C)CC1 ZINC000045393882 175376391 /nfs/dbraw/zinc/37/63/91/175376391.db2.gz RDUHKSHNDKFKON-OAHLLOKOSA-N 2 0 285.432 1.073 10 0 CDAERP CCOC(=O)[C@](C)([NH3+])CCC[N@H+](C)C1CCOCC1 ZINC000045394984 175376399 /nfs/dbraw/zinc/37/63/99/175376399.db2.gz FKMONGZZBSXKPJ-CQSZACIVSA-N 2 0 272.389 1.158 10 0 CDAERP CC[NH2+][C@@](C)(CCCC[N@@H+]1CCOC(C)(C)C1)C(N)=O ZINC000045418691 175377573 /nfs/dbraw/zinc/37/75/73/175377573.db2.gz JFGYONFXQFGERC-HNNXBMFYSA-N 2 0 285.432 1.121 10 0 CDAERP CC(C)[NH2+][C@H]1CCCN([C@@H]2CCC[N@H+](C)C2)C1=O ZINC000071031100 176022378 /nfs/dbraw/zinc/02/23/78/176022378.db2.gz GRWBORNJVCCQNC-OLZOCXBDSA-N 2 0 253.390 1.070 10 0 CDAERP CCC[NH2+][C@@H]1CCN(CCC[NH+]2CCCC2)C1=O ZINC000071031419 176022624 /nfs/dbraw/zinc/02/26/24/176022624.db2.gz NPJZASDFZZAHKH-CYBMUJFWSA-N 2 0 253.390 1.073 10 0 CDAERP CC[NH2+][C@@H]1CCCN(C[C@H]2CCC[N@@H+]2CC)C1=O ZINC000071032789 176023585 /nfs/dbraw/zinc/02/35/85/176023585.db2.gz RYIRYHCQKHOCGF-CHWSQXEVSA-N 2 0 253.390 1.071 10 0 CDAERP CC[NH+]1CCC(CN2CC[C@@H]([NH2+]C(C)C)C2=O)CC1 ZINC000071036457 176025776 /nfs/dbraw/zinc/02/57/76/176025776.db2.gz ILLVZLMEJWPSNB-CQSZACIVSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@H](c1ccc2c(c1)OCO2)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071148605 176044682 /nfs/dbraw/zinc/04/46/82/176044682.db2.gz ZCWZDLJYUUBADZ-CYBMUJFWSA-N 2 0 291.395 1.313 10 0 CDAERP CN(CC[NH2+]Cc1cccs1)C[C@@H]1CC[N@H+](C)C1 ZINC000071192419 176073798 /nfs/dbraw/zinc/07/37/98/176073798.db2.gz WYTBLFASXSVMCB-CYBMUJFWSA-N 2 0 267.442 1.721 10 0 CDAERP CN(CC[NH2+]CCc1ccsc1)C[C@@H]1CC[N@H+](C)C1 ZINC000071192399 176073887 /nfs/dbraw/zinc/07/38/87/176073887.db2.gz BOUBCTPLHFINFW-OAHLLOKOSA-N 2 0 281.469 1.764 10 0 CDAERP C[C@@H]1CC[C@@H]([NH3+])C[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071193279 176075565 /nfs/dbraw/zinc/07/55/65/176075565.db2.gz LZDMDGGLBNWERV-SYQHCUMBSA-N 2 0 267.417 1.160 10 0 CDAERP CCC[NH2+][C@H]1CCCN([C@@H]2CCC[N@H+](CC)C2)C1 ZINC000071200668 176077522 /nfs/dbraw/zinc/07/75/22/176077522.db2.gz DHEZHTCCBKSGMZ-LSDHHAIUSA-N 2 0 253.434 1.935 10 0 CDAERP NC(=O)CC1CC[NH+](Cc2ccc(F)cc2C[NH3+])CC1 ZINC000071263451 176097022 /nfs/dbraw/zinc/09/70/22/176097022.db2.gz LWPFNNWDGFSZQK-UHFFFAOYSA-N 2 0 279.359 1.372 10 0 CDAERP CC[NH2+]C[C@H]1CCN(CC[N@H+](C)C2CCCC2)C1 ZINC000071377490 176143062 /nfs/dbraw/zinc/14/30/62/176143062.db2.gz JLIQTMDDFLPYTO-CQSZACIVSA-N 2 0 253.434 1.792 10 0 CDAERP CC[NH2+][C@H]1CCCC[C@@H]1CN1CC[NH+](CC(C)(C)O)CC1 ZINC000071381806 176145764 /nfs/dbraw/zinc/14/57/64/176145764.db2.gz PQLWDSGYHQTUCW-CVEARBPZSA-N 2 0 297.487 1.543 10 0 CDAERP C[C@H](CC[NH3+])CCC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000079192403 177442247 /nfs/dbraw/zinc/44/22/47/177442247.db2.gz BIKHPXCOSYXELD-NWDGAFQWSA-N 2 0 253.390 1.104 10 0 CDAERP COC(OC)[C@@H](C)[NH2+]Cc1ccccc1C[NH+](C)C ZINC000079613373 177524822 /nfs/dbraw/zinc/52/48/22/177524822.db2.gz PHVQZJLZTFOGPY-GFCCVEGCSA-N 2 0 266.385 1.845 10 0 CDAERP CCCCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001666691813 1173173527 /nfs/dbraw/zinc/17/35/27/1173173527.db2.gz RPIJRTUIJQPCCK-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CCN(C)C(=O)CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000518188012 260353079 /nfs/dbraw/zinc/35/30/79/260353079.db2.gz UOKNURCHSXHXHN-FUNVUKJBSA-N 2 0 253.390 1.070 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)NC(C)C)[C@H](C)C1 ZINC000175725827 261244628 /nfs/dbraw/zinc/24/46/28/261244628.db2.gz XPFCYPVGHLQFMR-KGLIPLIRSA-N 2 0 269.433 1.563 10 0 CDAERP COc1cc(C[NH2+]C[C@H](C)C[NH3+])cc2c1OCCO2 ZINC000414875615 263089722 /nfs/dbraw/zinc/08/97/22/263089722.db2.gz KCODIFYNASTSCV-SNVBAGLBSA-N 2 0 266.341 1.151 10 0 CDAERP COc1cc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc2c1OCCO2 ZINC000415046874 263258379 /nfs/dbraw/zinc/25/83/79/263258379.db2.gz VLVQWWHDACEQRC-YPMHNXCESA-N 2 0 292.379 1.683 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001666988479 1173218246 /nfs/dbraw/zinc/21/82/46/1173218246.db2.gz YOZDHYOFJIGOMF-LSDHHAIUSA-N 2 0 283.460 1.975 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CNC(=O)NCC[C@@H]([NH3+])C(C)C)C1 ZINC000659442987 423777863 /nfs/dbraw/zinc/77/78/63/423777863.db2.gz UNPAGUCTDHZRMS-UONOGXRCSA-N 2 0 284.448 1.391 10 0 CDAERP C[N@H+](CCC1CCOCC1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662256038 423799550 /nfs/dbraw/zinc/79/95/50/423799550.db2.gz ILFGEPMFIXEYJJ-AWEZNQCLSA-N 2 0 268.401 1.256 10 0 CDAERP CO[C@H](C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)C1CCCC1 ZINC000662272905 423828093 /nfs/dbraw/zinc/82/80/93/423828093.db2.gz IFKKLEGIYBHYOR-HZPDHXFCSA-N 2 0 296.455 1.879 10 0 CDAERP CO[C@@H](C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)C1CCC1 ZINC000662274914 423843912 /nfs/dbraw/zinc/84/39/12/423843912.db2.gz YNVBCZYMKQPUAY-GJZGRUSLSA-N 2 0 282.428 1.489 10 0 CDAERP CN(C)C(=O)N(C)[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000662318416 423951289 /nfs/dbraw/zinc/95/12/89/423951289.db2.gz ZSIWLFDGEWGSBQ-UONOGXRCSA-N 2 0 282.432 1.064 10 0 CDAERP CN(C)C(=O)N(C)[C@H]1CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000662317760 423951761 /nfs/dbraw/zinc/95/17/61/423951761.db2.gz RUBCGMQUVOEOMW-HNNXBMFYSA-N 2 0 296.459 1.454 10 0 CDAERP CC(C)CC[C@H](O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662322763 423956075 /nfs/dbraw/zinc/95/60/75/423956075.db2.gz IMCSMXIQAROLHO-JKSUJKDBSA-N 2 0 286.460 1.826 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+]C[C@H]2C[C@H]2C)CC1 ZINC000663506892 423899788 /nfs/dbraw/zinc/89/97/88/423899788.db2.gz WZZMCNNXGRXGQO-CHWSQXEVSA-N 2 0 267.417 1.223 10 0 CDAERP CC1(C)CCCC[C@H]1C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000662284844 423902168 /nfs/dbraw/zinc/90/21/68/423902168.db2.gz ZCFOFDCSHVIVDG-ZDUSSCGKSA-N 2 0 254.418 1.988 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000652225361 424089888 /nfs/dbraw/zinc/08/98/88/424089888.db2.gz XFQFTJFHNBJHFP-KBPBESRZSA-N 2 0 284.448 1.343 10 0 CDAERP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662589807 424208108 /nfs/dbraw/zinc/20/81/08/424208108.db2.gz FHRSMQUBIBZXHE-IHRRRGAJSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)[C@H]2CCC[NH2+]CC2)cc1 ZINC000653054167 424178153 /nfs/dbraw/zinc/17/81/53/424178153.db2.gz AWGBQWMVAJGLOK-WFASDCNBSA-N 2 0 275.396 1.712 10 0 CDAERP CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000660819535 424235336 /nfs/dbraw/zinc/23/53/36/424235336.db2.gz IZHNZYDWPBVDIB-AWEZNQCLSA-N 2 0 296.459 1.643 10 0 CDAERP C[C@H](C[NH2+]CC[C@H](C)F)N(C)C(=O)C[NH+]1CCCC1 ZINC001667054631 1173227905 /nfs/dbraw/zinc/22/79/05/1173227905.db2.gz QYVDUFWFEMEKBS-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP COCCOCC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652362376 424314020 /nfs/dbraw/zinc/31/40/20/424314020.db2.gz FQYIHHUVZWCQKR-RRFJBIMHSA-N 2 0 286.416 1.010 10 0 CDAERP CC(C)OCC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652360467 424325825 /nfs/dbraw/zinc/32/58/25/424325825.db2.gz IWNBIUWQHYYFKM-RBSFLKMASA-N 2 0 270.417 1.772 10 0 CDAERP C(C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)[C@@H]1CCOC1 ZINC000400563377 424389575 /nfs/dbraw/zinc/38/95/75/424389575.db2.gz NFCKLISPSDLXNS-KFWWJZLASA-N 2 0 252.402 1.877 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000655489270 424506157 /nfs/dbraw/zinc/50/61/57/424506157.db2.gz NVFBSFTYOOYFNY-BARDWOONSA-N 2 0 281.444 1.741 10 0 CDAERP CO[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@@H]1CCOC1 ZINC000665234785 424469608 /nfs/dbraw/zinc/46/96/08/424469608.db2.gz KCNHEZDFWQQQFJ-UXXRCYHCSA-N 2 0 268.401 1.016 10 0 CDAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C2([NH3+])CCCCC2)CCO1 ZINC000662972950 424579955 /nfs/dbraw/zinc/57/99/55/424579955.db2.gz MXKFDEAIFCNQON-CQSZACIVSA-N 2 0 297.443 1.217 10 0 CDAERP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCSC1 ZINC000186566249 270264049 /nfs/dbraw/zinc/26/40/49/270264049.db2.gz APAXBUNQRCBEAV-UONOGXRCSA-N 2 0 271.474 1.498 10 0 CDAERP CC(C)n1ncnc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000311798813 270322703 /nfs/dbraw/zinc/32/27/03/270322703.db2.gz BHAGGUPCGFWYGL-BETUJISGSA-N 2 0 263.389 1.290 10 0 CDAERP COC(=O)c1cnc([C@H](C)[NH2+]CCCC[NH+](C)C)s1 ZINC000315132353 270326199 /nfs/dbraw/zinc/32/61/99/270326199.db2.gz KLOYHMAPDWQUGP-JTQLQIEISA-N 2 0 285.413 1.922 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+]2C2CCCCC2)C1 ZINC000529715099 271021908 /nfs/dbraw/zinc/02/19/08/271021908.db2.gz ANXVKXZVLYYXNU-ZBFHGGJFSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@]1(C[NH2+][C@H]2CCC[C@H]2C[NH3+])COc2ccccc2O1 ZINC000530208658 271151711 /nfs/dbraw/zinc/15/17/11/271151711.db2.gz GOBIEUQVMVTGGC-XEZPLFJOSA-N 2 0 276.380 1.934 10 0 CDAERP O=c1ccc([C@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)n[nH]1 ZINC000530208412 271151938 /nfs/dbraw/zinc/15/19/38/271151938.db2.gz SNVZTBWMBHLBLL-CYBMUJFWSA-N 2 0 262.357 1.319 10 0 CDAERP CC1(C)CC(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000530220224 271161714 /nfs/dbraw/zinc/16/17/14/271161714.db2.gz SXIAEGHOSCTPNC-CQSZACIVSA-N 2 0 281.444 1.742 10 0 CDAERP CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)CC1 ZINC000262014587 276004956 /nfs/dbraw/zinc/00/49/56/276004956.db2.gz VVHJXZXQAADADY-ZACQAIPSSA-N 2 0 295.471 1.608 10 0 CDAERP CC1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)OCCCO1 ZINC000294218271 276168101 /nfs/dbraw/zinc/16/81/01/276168101.db2.gz NDQKXTQDFOKFBX-UHFFFAOYSA-N 2 0 291.395 1.793 10 0 CDAERP CC1(C[NH2+][C@@H]2CCC(=O)NC2(C)C)CC[NH2+]CC1 ZINC000335563707 276168494 /nfs/dbraw/zinc/16/84/94/276168494.db2.gz HBBPGSYUIMPBSI-LLVKDONJSA-N 2 0 253.390 1.023 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](C)CC1 ZINC000337619890 276261083 /nfs/dbraw/zinc/26/10/83/276261083.db2.gz NUZDOZRUHRJJHZ-AWEZNQCLSA-N 2 0 267.417 1.319 10 0 CDAERP COC(=O)C1(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000450427386 277049124 /nfs/dbraw/zinc/04/91/24/277049124.db2.gz SHUBCNZYCZMSRO-AWEZNQCLSA-N 2 0 280.412 1.890 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(C3CC3)C2)[C@@H]2CCC[C@@H]21 ZINC000353620944 277172797 /nfs/dbraw/zinc/17/27/97/277172797.db2.gz KVIHCAYUYYWKJT-UNQGMJICSA-N 2 0 277.412 1.212 10 0 CDAERP CC(C)C[NH+]1CCC(N[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000358020637 277386696 /nfs/dbraw/zinc/38/66/96/277386696.db2.gz FNYZURUXTSXDIV-ZFWWWQNUSA-N 2 0 253.434 1.647 10 0 CDAERP COC(=O)[C@H]1CC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000095020609 277394405 /nfs/dbraw/zinc/39/44/05/277394405.db2.gz FPPPQHKKOKJNJP-STQMWFEESA-N 2 0 254.374 1.356 10 0 CDAERP C[C@H](CC[NH2+]Cc1ccccc1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001668309399 1173394094 /nfs/dbraw/zinc/39/40/94/1173394094.db2.gz IYDXLVPVUPLDFZ-GDBMZVCRSA-N 2 0 289.423 1.623 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000417835404 278221091 /nfs/dbraw/zinc/22/10/91/278221091.db2.gz NXWAJUAEOSWSJU-QJPTWQEYSA-N 2 0 253.390 1.008 10 0 CDAERP C[C@H]([NH2+]CCN1CC[NH2+]CC1)C1CCCCCC1 ZINC000423202425 278259275 /nfs/dbraw/zinc/25/92/75/278259275.db2.gz KPVOPFWIBGOCQC-AWEZNQCLSA-N 2 0 253.434 1.840 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000232602037 278973889 /nfs/dbraw/zinc/97/38/89/278973889.db2.gz ACJLQWDHOQKHJV-IHRRRGAJSA-N 2 0 269.433 1.467 10 0 CDAERP CC(C)C[C@H](C[NH3+])NC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000417540754 279139495 /nfs/dbraw/zinc/13/94/95/279139495.db2.gz XRVAOAUVJOWGLY-QLFBSQMISA-N 2 0 298.475 1.922 10 0 CDAERP C[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)[NH+](C)C1CC1 ZINC000353506227 279349752 /nfs/dbraw/zinc/34/97/52/279349752.db2.gz XFUIYJBXUZEBFE-SLBVQIDZSA-N 2 0 265.445 1.932 10 0 CDAERP C[NH+](C)CC[C@@H]([NH2+]C1CCN(C(N)=O)CC1)C(C)(C)C ZINC000125875323 279478422 /nfs/dbraw/zinc/47/84/22/279478422.db2.gz CAJZQLISMKSQND-CYBMUJFWSA-N 2 0 284.448 1.486 10 0 CDAERP COc1ccc(C[C@@H](C)[NH2+]CCOCC[NH+](C)C)cc1 ZINC000219316545 280091416 /nfs/dbraw/zinc/09/14/16/280091416.db2.gz YWIIYBBCUGVDGP-CQSZACIVSA-N 2 0 280.412 1.794 10 0 CDAERP O=C([C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)N1CCC2(CC[NH2+]C2)CC1 ZINC000261731474 280113921 /nfs/dbraw/zinc/11/39/21/280113921.db2.gz HRUCMCVRVQOKRC-KFWWJZLASA-N 2 0 291.439 1.509 10 0 CDAERP CC(C)[C@H](C(=O)N1CC[C@H]([NH3+])C(C)(C)C1)[NH+](C)C ZINC000262101411 280159477 /nfs/dbraw/zinc/15/94/77/280159477.db2.gz VBUUAWXDDWXDEW-NWDGAFQWSA-N 2 0 255.406 1.158 10 0 CDAERP CC[N@@H+]1CC[C@H](NC[C@H]2CCC[NH+]2CCOC)[C@H](C)C1 ZINC000246917602 280310058 /nfs/dbraw/zinc/31/00/58/280310058.db2.gz GEJMTVZFCRDUSY-OAGGEKHMSA-N 2 0 283.460 1.417 10 0 CDAERP CN(C(=O)[C@@H]1CCCCCC[C@H]1[NH3+])[C@H]1CC[NH2+]C1 ZINC000247441362 280333679 /nfs/dbraw/zinc/33/36/79/280333679.db2.gz WXGWLRFCWHWRHS-YNEHKIRRSA-N 2 0 253.390 1.104 10 0 CDAERP CC[C@H](C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)[NH+](C)C ZINC000299151941 280683669 /nfs/dbraw/zinc/68/36/69/280683669.db2.gz YXDWJRLLQJTZJC-JKSUJKDBSA-N 2 0 291.439 1.616 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000519633674 281033648 /nfs/dbraw/zinc/03/36/48/281033648.db2.gz UTENMWKTTBUQQD-RBSFLKMASA-N 2 0 296.459 1.548 10 0 CDAERP CC(C)[NH2+]CCCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000520772138 281050085 /nfs/dbraw/zinc/05/00/85/281050085.db2.gz VBFFADCIGZQDEI-GOOCMWNKSA-N 2 0 296.459 1.689 10 0 CDAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000522145126 281089011 /nfs/dbraw/zinc/08/90/11/281089011.db2.gz IUMITZNEZWTCEN-HOTGVXAUSA-N 2 0 289.423 1.227 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C[C@@H](O)C[NH+](C)C1CC1 ZINC000312852502 288294144 /nfs/dbraw/zinc/29/41/44/288294144.db2.gz GKSJIOBBMBXFNI-BMFZPTHFSA-N 2 0 281.444 1.000 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1(C[NH3+])CCCC1 ZINC000246613206 288307760 /nfs/dbraw/zinc/30/77/60/288307760.db2.gz XETVIEZMIWMHFY-OLZOCXBDSA-N 2 0 265.401 1.201 10 0 CDAERP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]C2CCN(C(N)=O)CC2)C1 ZINC000158648758 289314536 /nfs/dbraw/zinc/31/45/36/289314536.db2.gz YROSVHZJUDNHCH-ZIAGYGMSSA-N 2 0 296.459 1.487 10 0 CDAERP CC[NH+]1CCC(NC(=O)C[NH+]2[C@H](C)C[C@H]2C)CC1 ZINC000548753472 289925481 /nfs/dbraw/zinc/92/54/81/289925481.db2.gz ZWVWZNLHLPVRKH-VXGBXAGGSA-N 2 0 253.390 1.070 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000557213462 290336637 /nfs/dbraw/zinc/33/66/37/290336637.db2.gz ZCDXYSOWZHIYJW-MCIONIFRSA-N 2 0 282.432 1.016 10 0 CDAERP CC[C@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)[C@@H]1CC1(C)C ZINC000557256529 290339048 /nfs/dbraw/zinc/33/90/48/290339048.db2.gz GGFURFNERKMCDT-ILXRZTDVSA-N 2 0 283.460 1.009 10 0 CDAERP [NH3+]C[C@H](NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000568373184 294022535 /nfs/dbraw/zinc/02/25/35/294022535.db2.gz XUHSFIGFSGFOEX-KBPBESRZSA-N 2 0 280.416 1.040 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000570282643 294209422 /nfs/dbraw/zinc/20/94/22/294209422.db2.gz YCLVFVSQOGWIHN-RISCZKNCSA-N 2 0 261.369 1.199 10 0 CDAERP O=C(NC/C=C/C[NH2+]CCCF)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001668883688 1173475513 /nfs/dbraw/zinc/47/55/13/1173475513.db2.gz RTPGOMPBSCVLCT-ZHAXYTGKSA-N 2 0 297.418 1.625 10 0 CDAERP Cc1cc(C)n2c(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cnc2n1 ZINC000575059961 295094076 /nfs/dbraw/zinc/09/40/76/295094076.db2.gz PVXFOHPBBJKPSF-NXEZZACHSA-N 2 0 261.373 1.562 10 0 CDAERP [NH3+][C@@H]1CC[C@@H](C(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000091545084 295319055 /nfs/dbraw/zinc/31/90/55/295319055.db2.gz WFSNNWRBZQRKIQ-CHWSQXEVSA-N 2 0 265.401 1.201 10 0 CDAERP C[C@H](CC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)C1CC[NH2+]CC1 ZINC000262661955 298298304 /nfs/dbraw/zinc/29/83/04/298298304.db2.gz GPKZXJBHZIAVPB-IIAWOOMASA-N 2 0 293.455 1.707 10 0 CDAERP C[C@H](CCC[NH3+])NC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000417539658 298396355 /nfs/dbraw/zinc/39/63/55/298396355.db2.gz VXZBCXKMVBKRIU-RDBSUJKOSA-N 2 0 284.448 1.676 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)CC[NH2+]1 ZINC000377741002 300397846 /nfs/dbraw/zinc/39/78/46/300397846.db2.gz IVMVKTBRUKZOJN-AEGPPILISA-N 2 0 279.428 1.223 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000335312278 303430992 /nfs/dbraw/zinc/43/09/92/303430992.db2.gz OBICPUYYUZVCNE-UHFFFAOYSA-N 2 0 273.380 1.361 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)C[NH2+]C(C)C)C1 ZINC001669644881 1173580619 /nfs/dbraw/zinc/58/06/19/1173580619.db2.gz JXMQAMRUEVIEEL-KBPBESRZSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@@H](C[NH2+]CCF)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001669664888 1173583893 /nfs/dbraw/zinc/58/38/93/1173583893.db2.gz OXMQOXNUOFZOHX-NSHDSACASA-N 2 0 261.385 1.028 10 0 CDAERP CCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001669680861 1173585132 /nfs/dbraw/zinc/58/51/32/1173585132.db2.gz AJRGSSXIKXGCOJ-KBPBESRZSA-N 2 0 269.433 1.754 10 0 CDAERP COCC[NH2+]C1CCN(CC[NH2+]C(C)(C)C)CC1 ZINC000563812863 316375721 /nfs/dbraw/zinc/37/57/21/316375721.db2.gz GHOKFPMXJHVXED-UHFFFAOYSA-N 2 0 257.422 1.075 10 0 CDAERP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCCC23CC3)C1 ZINC000576362139 317127067 /nfs/dbraw/zinc/12/70/67/317127067.db2.gz UXGWEAGXYPSDAG-ZIAGYGMSSA-N 2 0 279.428 1.496 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000576955507 317238639 /nfs/dbraw/zinc/23/86/39/317238639.db2.gz GWWFMGCDFSWMPH-ZDUSSCGKSA-N 2 0 279.428 1.319 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CCCC[NH+]2CCN(C)CC2)[C@H]1C ZINC000577041111 317253580 /nfs/dbraw/zinc/25/35/80/317253580.db2.gz RZMKMIKWBSHTGM-ILXRZTDVSA-N 2 0 253.434 1.648 10 0 CDAERP C[C@@H](CNC(=O)CC[C@H]1CCCC[N@@H+]1C)[NH+]1CCCC1 ZINC000582956948 325076538 /nfs/dbraw/zinc/07/65/38/325076538.db2.gz XTUXRAOVPARPOO-LSDHHAIUSA-N 2 0 281.444 1.851 10 0 CDAERP CC(C)C[C@H](CN[C@H](C)[C@H]1CCC[NH2+]C1)[NH+](C)C ZINC000584225902 327068402 /nfs/dbraw/zinc/06/84/02/327068402.db2.gz IYRTVSQOZQOTPV-QLFBSQMISA-N 2 0 255.450 1.940 10 0 CDAERP CC(C)COCC[NH2+][C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001731615327 1159315546 /nfs/dbraw/zinc/31/55/46/1159315546.db2.gz NJCODGKUMMXQIJ-CQSZACIVSA-N 2 0 299.459 1.095 10 0 CDAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)CC1([NH3+])CC1 ZINC000398055418 482231565 /nfs/dbraw/zinc/23/15/65/482231565.db2.gz YKBBAVWWJAMIJO-DZGCQCFKSA-N 2 0 287.407 1.505 10 0 CDAERP CC(C)[N@H+](C)CC1CCN(C(=O)CC2([NH3+])CC2)CC1 ZINC000398058732 482231690 /nfs/dbraw/zinc/23/16/90/482231690.db2.gz FOGHVVILPPJIHI-UHFFFAOYSA-N 2 0 267.417 1.447 10 0 CDAERP c1cc2c(s1)C[N@H+](C[C@H]1CCC3(C[NH2+]C3)O1)CC2 ZINC000662276648 482236697 /nfs/dbraw/zinc/23/66/97/482236697.db2.gz KUWGMKYXKPVVCY-GFCCVEGCSA-N 2 0 264.394 1.627 10 0 CDAERP C[NH2+][C@H](C)C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000398126933 482244548 /nfs/dbraw/zinc/24/45/48/482244548.db2.gz IGUCYVAUJQYXID-NFAWXSAZSA-N 2 0 275.396 1.374 10 0 CDAERP C[NH2+][C@H](C)C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000398126930 482245462 /nfs/dbraw/zinc/24/54/62/482245462.db2.gz IGUCYVAUJQYXID-GZBFAFLISA-N 2 0 275.396 1.374 10 0 CDAERP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000167659195 482393661 /nfs/dbraw/zinc/39/36/61/482393661.db2.gz QPNRKJKSGTYUIM-BZUAXINKSA-N 2 0 293.455 1.885 10 0 CDAERP C[NH+](C)[C@@H]1CCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000211950305 482449917 /nfs/dbraw/zinc/44/99/17/482449917.db2.gz HPDOPQMQVIIBGW-MRXNPFEDSA-N 2 0 259.397 1.468 10 0 CDAERP Cc1cncc(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000668631940 482493968 /nfs/dbraw/zinc/49/39/68/482493968.db2.gz ZYPMRWPAATZWMC-UHFFFAOYSA-N 2 0 297.406 1.981 10 0 CDAERP CCN(C(=O)NC[C@@H]1CC[NH+](C2CC2)C1)[C@H]1CC[N@H+](C)C1 ZINC000663682836 482499118 /nfs/dbraw/zinc/49/91/18/482499118.db2.gz IZLPRXKPLNHGAB-ZFWWWQNUSA-N 2 0 294.443 1.206 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C1([C@@H](C)O)CC1 ZINC000668701107 482504344 /nfs/dbraw/zinc/50/43/44/482504344.db2.gz WPAVGAJCSMPPIH-GFCCVEGCSA-N 2 0 272.352 1.579 10 0 CDAERP CN(C)c1cc[nH+]cc1C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000680581585 482513061 /nfs/dbraw/zinc/51/30/61/482513061.db2.gz CGDFELFWZGWIHJ-LBPRGKRZSA-N 2 0 276.384 1.171 10 0 CDAERP CC[C@@H]1CN(C(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000669516133 482538852 /nfs/dbraw/zinc/53/88/52/482538852.db2.gz UQMGHEXWZREPPU-BYCMXARLSA-N 2 0 293.386 1.454 10 0 CDAERP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000659365654 482655145 /nfs/dbraw/zinc/65/51/45/482655145.db2.gz HMEXOBLFHAVCSM-UKRRQHHQSA-N 2 0 289.379 1.286 10 0 CDAERP CO[C@H]1CCC[C@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000685042637 482700772 /nfs/dbraw/zinc/70/07/72/482700772.db2.gz IQQZMCCSCNDUQS-GJZGRUSLSA-N 2 0 283.460 1.560 10 0 CDAERP C[C@H]1C[C@H](N(C)C(=O)C2([NH3+])CCCC2)CC[N@@H+]1C ZINC000237560197 482731378 /nfs/dbraw/zinc/73/13/78/482731378.db2.gz QNSPFNHCWKYSKV-NWDGAFQWSA-N 2 0 253.390 1.199 10 0 CDAERP CC(C)[NH+]1CCN(C2CC[NH+](CC3(F)CC3)CC2)CC1 ZINC000684363241 482774044 /nfs/dbraw/zinc/77/40/44/482774044.db2.gz POAOXCBEXNMJHK-UHFFFAOYSA-N 2 0 283.435 1.979 10 0 CDAERP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NCC[NH2+]C1CC1 ZINC000237864496 482778915 /nfs/dbraw/zinc/77/89/15/482778915.db2.gz MLHFIGKFRFRTOV-QWHCGFSZSA-N 2 0 253.390 1.152 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000094446972 482786840 /nfs/dbraw/zinc/78/68/40/482786840.db2.gz TWMGQTYDOMZBHJ-KBUPBQIOSA-N 2 0 279.428 1.447 10 0 CDAERP COCC1(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)CC1 ZINC000656201123 482791777 /nfs/dbraw/zinc/79/17/77/482791777.db2.gz SQEANPDXLNVZSE-LLVKDONJSA-N 2 0 263.385 1.926 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000666614304 482817058 /nfs/dbraw/zinc/81/70/58/482817058.db2.gz XTTUDKSULJFCKD-LSDHHAIUSA-N 2 0 269.433 1.156 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)NC/C=C/C[NH3+])c1ccc(F)cc1 ZINC000669398677 482844450 /nfs/dbraw/zinc/84/44/50/482844450.db2.gz PVCBHYXPGWSRTR-XGACYXMMSA-N 2 0 294.374 1.243 10 0 CDAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H](C(F)F)C2)CC1 ZINC000669691678 482931062 /nfs/dbraw/zinc/93/10/62/482931062.db2.gz AACHWYRSCGJCOQ-CQSZACIVSA-N 2 0 289.414 1.990 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])[N@@H+]1CCC[C@@H](C)C1 ZINC000261858758 482936207 /nfs/dbraw/zinc/93/62/07/482936207.db2.gz WNVWZPILMWSTOX-KBUPBQIOSA-N 2 0 281.444 1.598 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000250641045 483021316 /nfs/dbraw/zinc/02/13/16/483021316.db2.gz TVHQDBLTENBUPT-WTUNAVPPSA-N 2 0 265.401 1.118 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CC1([NH3+])CCC1 ZINC000251554864 483052698 /nfs/dbraw/zinc/05/26/98/483052698.db2.gz BKIJSCFICNRZLF-OLZOCXBDSA-N 2 0 265.401 1.343 10 0 CDAERP CC[C@H]([NH2+]Cc1ccnn1-c1cc[nH+]cc1)[C@@H](C)O ZINC000668218638 483128766 /nfs/dbraw/zinc/12/87/66/483128766.db2.gz RFGRGLAKCRDCEW-RISCZKNCSA-N 2 0 260.341 1.516 10 0 CDAERP C[NH+](C)C[C@H](NC(=O)C[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000089746544 483130633 /nfs/dbraw/zinc/13/06/33/483130633.db2.gz ODOYMKYVEHDGMY-HIFRSBDPSA-N 2 0 275.396 1.405 10 0 CDAERP COC[C@@H](C)C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000683363348 483497395 /nfs/dbraw/zinc/49/73/95/483497395.db2.gz OSLGGVMVZAZFQG-UONOGXRCSA-N 2 0 258.406 1.359 10 0 CDAERP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1cccc(F)c1 ZINC001409364679 1160823049 /nfs/dbraw/zinc/82/30/49/1160823049.db2.gz AGCJKKFDXSWBLZ-STQMWFEESA-N 2 0 295.402 1.760 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cnc(C)o1 ZINC001409459856 1160830837 /nfs/dbraw/zinc/83/08/37/1160830837.db2.gz YPADLAKOSUBYAE-VXGBXAGGSA-N 2 0 296.415 1.308 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)CCC(C)C)[NH+](C)C ZINC001409573274 1160856943 /nfs/dbraw/zinc/85/69/43/1160856943.db2.gz JWPXHYKBLJUHSC-ZIAGYGMSSA-N 2 0 271.449 1.809 10 0 CDAERP CC(C)CC[NH2+]CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001483510372 1160932265 /nfs/dbraw/zinc/93/22/65/1160932265.db2.gz IBDVXFXQRYCRRH-UHFFFAOYSA-N 2 0 269.433 1.566 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)CC1CC[NH2+]CC1 ZINC000049220918 519814010 /nfs/dbraw/zinc/81/40/10/519814010.db2.gz NHFMOFQGMQHQEV-ZDUSSCGKSA-N 2 0 255.406 1.079 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)NCCCC[N@H+](C)C(C)C ZINC000061299292 519904912 /nfs/dbraw/zinc/90/49/12/519904912.db2.gz UPQOOOAXEHTBKY-UHFFFAOYSA-N 2 0 257.422 1.611 10 0 CDAERP CCC[NH2+]Cc1cn(CC[N@H+](CC)[C@H](C)CC)nn1 ZINC000052451254 519961768 /nfs/dbraw/zinc/96/17/68/519961768.db2.gz NYZSNIOSJBDUFU-CYBMUJFWSA-N 2 0 267.421 1.898 10 0 CDAERP CCCCC[N@H+](C)CCn1cc(C[NH2+]CC)nn1 ZINC000052454798 520151260 /nfs/dbraw/zinc/15/12/60/520151260.db2.gz SOXWZTVGAYLRJG-UHFFFAOYSA-N 2 0 253.394 1.510 10 0 CDAERP CCO[C@@H](C[NH3+])CC[N@H+](C)Cc1ccccc1OC ZINC000062741013 520307935 /nfs/dbraw/zinc/30/79/35/520307935.db2.gz XIEVKIJOHNTJGB-CQSZACIVSA-N 2 0 266.385 1.881 10 0 CDAERP C[NH2+]C(C)(C)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000061318493 521934520 /nfs/dbraw/zinc/93/45/20/521934520.db2.gz HGDSTMNFNUUETL-UHFFFAOYSA-N 2 0 255.406 1.223 10 0 CDAERP C[NH2+]Cc1cc(CN(C)C2CC[NH+](C)CC2)oc1C ZINC000052419820 522103631 /nfs/dbraw/zinc/10/36/31/522103631.db2.gz YWLLBTKKJQIDKI-UHFFFAOYSA-N 2 0 265.401 1.833 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(CC[NH2+]CCCOC(C)C)CC1 ZINC000055075107 522122408 /nfs/dbraw/zinc/12/24/08/522122408.db2.gz UZLWAWRQXLHWDR-MRXNPFEDSA-N 2 0 285.476 1.807 10 0 CDAERP CC1([NH2+]CCCF)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001717304763 1180611469 /nfs/dbraw/zinc/61/14/69/1180611469.db2.gz RNQWJJSNKFKDIH-UHFFFAOYSA-N 2 0 285.407 1.413 10 0 CDAERP CCCC[NH2+][C@H](C)[C@@H](C)NC(=O)CCc1c[nH]cn1 ZINC001717413510 1180659647 /nfs/dbraw/zinc/65/96/47/1180659647.db2.gz TVYPFUPZXCNWKR-VXGBXAGGSA-N 2 0 266.389 1.625 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001731245235 1182274717 /nfs/dbraw/zinc/27/47/17/1182274717.db2.gz IXZGODOHZKVTJK-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)(O)C[NH+]1CCN(Cc2cc(F)ccc2C[NH3+])CC1 ZINC000069401841 519354880 /nfs/dbraw/zinc/35/48/80/519354880.db2.gz VADDTIXGAWDJEI-UHFFFAOYSA-N 2 0 295.402 1.173 10 0 CDAERP CC(C)[N@@H+](CCCN1CC[NH+](C(C)C)CC1)C[C@H](C)O ZINC000337242906 519642932 /nfs/dbraw/zinc/64/29/32/519642932.db2.gz GXJIONHQHJGAGV-INIZCTEOSA-N 2 0 285.476 1.494 10 0 CDAERP CC(C)[NH+]1CCN([C@@]2(C[NH3+])CCCSC2)CC1 ZINC000061590066 519682823 /nfs/dbraw/zinc/68/28/23/519682823.db2.gz FKKRSPWLMBECMC-CYBMUJFWSA-N 2 0 257.447 1.237 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CC[C@@H](CN2CC[NH+](C(C)C)CC2)O1 ZINC000052480127 519724081 /nfs/dbraw/zinc/72/40/81/519724081.db2.gz CRKNKJBMFWBKEO-HOTGVXAUSA-N 2 0 283.460 1.558 10 0 CDAERP CC(C)C[NH+]1CCN([C@@]2(C[NH3+])CCSC2)CC1 ZINC000055078391 519727920 /nfs/dbraw/zinc/72/79/20/519727920.db2.gz HJOFWPFNBWCBII-CYBMUJFWSA-N 2 0 257.447 1.094 10 0 CDAERP CC(C)C[NH+]1CCN([C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000055079073 519728306 /nfs/dbraw/zinc/72/83/06/519728306.db2.gz VSRYSVHLGIXNIX-CABCVRRESA-N 2 0 253.434 1.920 10 0 CDAERP CC(C)[NH2+]Cc1cn(CC[N@@H+]2CC[C@H](C)C2)nn1 ZINC000052484507 519728355 /nfs/dbraw/zinc/72/83/55/519728355.db2.gz GLDRTUGCULTIAS-LBPRGKRZSA-N 2 0 251.378 1.118 10 0 CDAERP CC(C)[C@@H](C[NH2+][C@@H]1CCCSC1)N1CC[NH+](C)CC1 ZINC000061589012 519795082 /nfs/dbraw/zinc/79/50/82/519795082.db2.gz KLUFWINYXJEMGA-HUUCEWRRSA-N 2 0 285.501 1.744 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000049220812 519814252 /nfs/dbraw/zinc/81/42/52/519814252.db2.gz VEDDBHQUGVWJMP-HOTGVXAUSA-N 2 0 289.423 1.403 10 0 CDAERP CCOCC[N@H+](C)[C@H]1CCC[NH+](CCOCC)CC1 ZINC000156962356 519905181 /nfs/dbraw/zinc/90/51/81/519905181.db2.gz PANWQADJLRYSCP-HNNXBMFYSA-N 2 0 272.433 1.846 10 0 CDAERP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2[C@@H]1CC[N@H+](C)C1 ZINC000054602689 519910022 /nfs/dbraw/zinc/91/00/22/519910022.db2.gz GESOZCVVCJEXPM-JALIKCBVSA-N 2 0 251.418 1.686 10 0 CDAERP CC[NH2+]CC(CC)(CC)CN1CCN(CC[NH+](C)C)CC1 ZINC000061653765 519911785 /nfs/dbraw/zinc/91/17/85/519911785.db2.gz AMRWRIXVXATIMO-UHFFFAOYSA-N 2 0 298.519 1.582 10 0 CDAERP CC[NH2+]CCC[C@H](C)[NH+]1CCN(c2ccccn2)CC1 ZINC000052418611 519920181 /nfs/dbraw/zinc/92/01/81/519920181.db2.gz KDWLREJPCPYMDE-HNNXBMFYSA-N 2 0 276.428 1.982 10 0 CDAERP CCC[NH2+]C[C@@H](C)C[N@H+](CCCOC)CCOC ZINC000052543215 519920361 /nfs/dbraw/zinc/92/03/61/519920361.db2.gz IZEOAYSPKWLHBJ-CQSZACIVSA-N 2 0 260.422 1.607 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@@H](CN2CCC([NH+](C)C)CC2)O1 ZINC000052477789 519924337 /nfs/dbraw/zinc/92/43/37/519924337.db2.gz CMLXSXDNCQOCMA-HOTGVXAUSA-N 2 0 283.460 1.560 10 0 CDAERP CCC[NH2+]C[C@H](C(C)C)N1CC[NH+](C2CC2)CC1 ZINC000052371226 519928905 /nfs/dbraw/zinc/92/89/05/519928905.db2.gz CWEYUWXNOPUBPB-OAHLLOKOSA-N 2 0 253.434 1.791 10 0 CDAERP CCC[NH2+]Cc1c(C)nn(C)c1N1CCC[C@H]1C[NH+](C)C ZINC000061646052 519942465 /nfs/dbraw/zinc/94/24/65/519942465.db2.gz HFNVFQYNSSHLPE-AWEZNQCLSA-N 2 0 293.459 1.759 10 0 CDAERP CC[NH2+]C[C@H]1CC[N@H+](CCc2ccc3c(c2)OCCO3)C1 ZINC000053011408 519976349 /nfs/dbraw/zinc/97/63/49/519976349.db2.gz TZRQQUFVKHKOFM-OAHLLOKOSA-N 2 0 290.407 1.932 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@@H+]2CCOC(C)(C)C2)O1 ZINC000052481885 519979792 /nfs/dbraw/zinc/97/97/92/519979792.db2.gz VPFOLAVVPMMAMV-OLZOCXBDSA-N 2 0 256.390 1.254 10 0 CDAERP CC[NH2+]Cc1cc(CN(CC[NH+](C)C)CC(C)C)on1 ZINC000052503337 519988794 /nfs/dbraw/zinc/98/87/94/519988794.db2.gz CJUNBNPUFMUNDO-UHFFFAOYSA-N 2 0 282.432 1.804 10 0 CDAERP CC[NH2+]Cc1ccc(C[N@H+](CCOC)[C@H](C)COC)o1 ZINC000052572329 519995206 /nfs/dbraw/zinc/99/52/06/519995206.db2.gz DCOOGGIGKAYVSP-CYBMUJFWSA-N 2 0 284.400 1.872 10 0 CDAERP CCOC[C@@H](O)C[NH+]1CCC(C[NH2+]C(C)C)CC1 ZINC000069280295 520094558 /nfs/dbraw/zinc/09/45/58/520094558.db2.gz JCCQSOOVNDQCKH-AWEZNQCLSA-N 2 0 258.406 1.094 10 0 CDAERP CC[NH2+][C@H](C)C1CC[NH+](C[C@H](O)COCC)CC1 ZINC000069274292 520162303 /nfs/dbraw/zinc/16/23/03/520162303.db2.gz VZTFFEBAAYZBAJ-OCCSQVGLSA-N 2 0 258.406 1.094 10 0 CDAERP CC[NH2+][C@H]1CCCCC[C@@H]1N1CC[C@H]([NH+](C)C)C1 ZINC000062964927 520213703 /nfs/dbraw/zinc/21/37/03/520213703.db2.gz MSXSGLSYJIGEFM-KKUMJFAQSA-N 2 0 253.434 1.933 10 0 CDAERP CC[NH2+][C@](C)(C[C@@H](C)[N@H+](C)CC1CC[NH+](C)CC1)C(=O)[O-] ZINC000068646420 520234578 /nfs/dbraw/zinc/23/45/78/520234578.db2.gz SDHXJWWLKTUWDG-CZUORRHYSA-N 2 0 299.459 1.491 10 0 CDAERP CCO[C@@H](C[NH3+])CC[NH+]1CCN(c2ccccc2)CC1 ZINC000062740755 520308530 /nfs/dbraw/zinc/30/85/30/520308530.db2.gz SIXOBYLINSWLKW-MRXNPFEDSA-N 2 0 277.412 1.563 10 0 CDAERP CC[NH+](CC)CCNC(=O)[C@H]1CCC[C@@H]([NH3+])[C@@H]1C ZINC000055122983 520681552 /nfs/dbraw/zinc/68/15/52/520681552.db2.gz WPFZEPVKGJNZRP-FRRDWIJNSA-N 2 0 255.406 1.208 10 0 CDAERP CCCCOCCN1CCC[N@H+](CCCCC[NH3+])CC1 ZINC000049261689 520760240 /nfs/dbraw/zinc/76/02/40/520760240.db2.gz GFUXXWNKFXCFBK-UHFFFAOYSA-N 2 0 285.476 1.940 10 0 CDAERP CCC[C@@](C)(C[NH2+]CC)CN1CCN(CC[NH+](C)C)CC1 ZINC000061653728 520911994 /nfs/dbraw/zinc/91/19/94/520911994.db2.gz IRCBILFUCHNSHW-KRWDZBQOSA-N 2 0 298.519 1.582 10 0 CDAERP CC1CCC(C[NH3+])(N2CCN(CC[NH+](C)C)CC2)CC1 ZINC000061643207 520915891 /nfs/dbraw/zinc/91/58/91/520915891.db2.gz ODTPQBWNQXJJJG-UHFFFAOYSA-N 2 0 282.476 1.073 10 0 CDAERP CC1CC[NH+](CCNC(=O)[C@@H]2[C@H](C)CCC[C@@H]2[NH3+])CC1 ZINC000055136673 521013995 /nfs/dbraw/zinc/01/39/95/521013995.db2.gz GXWRABSEWPPLRS-QLFBSQMISA-N 2 0 281.444 1.598 10 0 CDAERP CCC[C@]1(C(=O)N2CC[C@@H]([NH+](CC)CC)C2)CC[NH2+]C1 ZINC000062972597 521299294 /nfs/dbraw/zinc/29/92/94/521299294.db2.gz MRYUMWSOOSTIGV-ZBFHGGJFSA-N 2 0 281.444 1.709 10 0 CDAERP CCOCCCC[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000053382950 521703557 /nfs/dbraw/zinc/70/35/57/521703557.db2.gz PMGBGVUUPQDEOU-UHFFFAOYSA-N 2 0 271.449 1.419 10 0 CDAERP COCC[C@@H]([NH3+])C(=O)Nc1ccccc1C[NH+]1CCCC1 ZINC000052807895 521828803 /nfs/dbraw/zinc/82/88/03/521828803.db2.gz LZUJEGAFZIGRON-CQSZACIVSA-N 2 0 291.395 1.585 10 0 CDAERP CN(C)C[C@H]1CCC[N@@H+]1CCCOc1ccccc1C[NH3+] ZINC000061642500 521868524 /nfs/dbraw/zinc/86/85/24/521868524.db2.gz XFISDGMTCZSGER-MRXNPFEDSA-N 2 0 291.439 1.940 10 0 CDAERP C[NH2+]C[C@H](c1ccccc1)N1CCC([NH+](C)C)CC1 ZINC000052477846 522078627 /nfs/dbraw/zinc/07/86/27/522078627.db2.gz QUKQTQGELXMIJX-MRXNPFEDSA-N 2 0 261.413 1.973 10 0 CDAERP CC[C@@H](C)[N@H+](CCOC)Cc1cccnc1C(N)=[NH2+] ZINC000061658277 522091077 /nfs/dbraw/zinc/09/10/77/522091077.db2.gz FWMVEMKFFHLMPC-LLVKDONJSA-N 2 0 264.373 1.613 10 0 CDAERP C[NH2+]C[C@H]1CC[C@H](C[NH+]2CCC(COC)CC2)O1 ZINC000070082930 522096507 /nfs/dbraw/zinc/09/65/07/522096507.db2.gz NXVBAHDCJOUJPH-ZIAGYGMSSA-N 2 0 256.390 1.112 10 0 CDAERP C[NH2+]Cc1ccc(CN(C)C2CC[NH+](C)CC2)o1 ZINC000052419825 522117297 /nfs/dbraw/zinc/11/72/97/522117297.db2.gz BALCQRJHYLVTTQ-UHFFFAOYSA-N 2 0 251.374 1.525 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(Cc2ccc(C(N)=[NH2+])cc2)CC1 ZINC000055067230 522127163 /nfs/dbraw/zinc/12/71/63/522127163.db2.gz WAQZWTHPBHGVNG-CYBMUJFWSA-N 2 0 274.412 1.887 10 0 CDAERP CC[C@H](CC[NH3+])[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000052815665 522128164 /nfs/dbraw/zinc/12/81/64/522128164.db2.gz ZFJWVJCFFPFQFT-CYBMUJFWSA-N 2 0 263.389 1.116 10 0 CDAERP CC[C@@H](C)[NH+]1CCN([C@](C)(C[NH3+])CCOC)CC1 ZINC000055064435 522135377 /nfs/dbraw/zinc/13/53/77/522135377.db2.gz UWHPQGALDFQFAK-KGLIPLIRSA-N 2 0 257.422 1.156 10 0 CDAERP C[NH2+]Cc1cccnc1N(C)CC1CC[NH+](C)CC1 ZINC000063122202 522139961 /nfs/dbraw/zinc/13/99/61/522139961.db2.gz YHSBCUWHAWWVAD-UHFFFAOYSA-N 2 0 262.401 1.579 10 0 CDAERP CC[C@H]([NH3+])[C@@H](N1CCN(CC(C)C)CC1)C(F)(F)F ZINC000055077521 522338128 /nfs/dbraw/zinc/33/81/28/522338128.db2.gz LNKOPCKTOOFTFT-NWDGAFQWSA-N 2 0 281.366 1.928 10 0 CDAERP C[NH2+][C@@H](C)c1cnc(N2CCC([NH+](C)C)CC2)s1 ZINC000054903744 522338242 /nfs/dbraw/zinc/33/82/42/522338242.db2.gz HNAVDZWPHVAXCL-JTQLQIEISA-N 2 0 268.430 1.954 10 0 CDAERP C[N@H+](CC1(C[NH2+]C2CC2)CCOCC1)[C@H]1CCSC1 ZINC000052181496 522591078 /nfs/dbraw/zinc/59/10/78/522591078.db2.gz UZRWWMDSUROLTK-AWEZNQCLSA-N 2 0 284.469 1.973 10 0 CDAERP COC1CC[NH+](C[C@@H]2CC[C@@H](C[NH2+]C3CC3)O2)CC1 ZINC000052455433 522705257 /nfs/dbraw/zinc/70/52/57/522705257.db2.gz MTHOZIBYGUHJMY-GJZGRUSLSA-N 2 0 268.401 1.397 10 0 CDAERP CC[C@H]1CO[C@@H](C)CN1C1(C[NH3+])CC[NH+](C(C)C)CC1 ZINC000048914272 523344681 /nfs/dbraw/zinc/34/46/81/523344681.db2.gz MFBYJHNFLOQFON-GJZGRUSLSA-N 2 0 283.460 1.687 10 0 CDAERP CC[C@@H]1CC[C@@H](O)[C@H]([NH+]2CCN(CC[NH+](C)C)CC2)C1 ZINC000061652705 523356696 /nfs/dbraw/zinc/35/66/96/523356696.db2.gz PHSHPEPIGQRWLQ-BZUAXINKSA-N 2 0 283.460 1.105 10 0 CDAERP C[N@H+](Cc1ccccc1Cl)CC1(O)CC[NH2+]CC1 ZINC000051016339 523365616 /nfs/dbraw/zinc/36/56/16/523365616.db2.gz MDYVBTRDVFCQKP-UHFFFAOYSA-N 2 0 268.788 1.886 10 0 CDAERP C[NH+]1CCN(CC[NH2+]Cc2cc(F)c(F)c(F)c2)CC1 ZINC000062707890 523903668 /nfs/dbraw/zinc/90/36/68/523903668.db2.gz DMIQQXDYJNERIO-UHFFFAOYSA-N 2 0 287.329 1.441 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C[C@]2(C[NH2+]C(C)C)CCOC2)CC1 ZINC000055071793 523955810 /nfs/dbraw/zinc/95/58/10/523955810.db2.gz QYFZNNQJXJHBJT-DLBZAZTESA-N 2 0 297.487 1.807 10 0 CDAERP COCC[NH2+]Cc1ccccc1N1CC[NH+](C)CC1 ZINC000062734230 523956040 /nfs/dbraw/zinc/95/60/40/523956040.db2.gz RFFPHKATYDTQOL-UHFFFAOYSA-N 2 0 263.385 1.174 10 0 CDAERP COCC[NH2+]Cc1ccccc1N1CCC[N@H+](C)CC1 ZINC000062734916 523956135 /nfs/dbraw/zinc/95/61/35/523956135.db2.gz HGWCOKGMZOROBF-UHFFFAOYSA-N 2 0 277.412 1.565 10 0 CDAERP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1CCC[C@H](CC[NH3+])C1 ZINC000055163280 524033319 /nfs/dbraw/zinc/03/33/19/524033319.db2.gz PGWBNKWSYPJRMM-CHWSQXEVSA-N 2 0 269.433 1.598 10 0 CDAERP C[NH+](C)C1(CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)CCC1 ZINC000356806060 524035686 /nfs/dbraw/zinc/03/56/86/524035686.db2.gz GWWXXTDHAKDCDS-AWEZNQCLSA-N 2 0 281.444 1.851 10 0 CDAERP C[NH+](C)CC(C)(C)CNC(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050939377 524045826 /nfs/dbraw/zinc/04/58/26/524045826.db2.gz OGARHWXOZUDMPF-CYBMUJFWSA-N 2 0 269.433 1.613 10 0 CDAERP C[NH+](C)CC1CC[NH+](Cc2cc[nH+]c(NN)c2)CC1 ZINC000052719802 524049516 /nfs/dbraw/zinc/04/95/16/524049516.db2.gz DMKFNQVUMHAVQF-UHFFFAOYSA-N 3 0 263.389 1.141 10 0 CDAERP CNC(=O)CCC[NH+]1CCC(C[NH2+]CC(C)C)CC1 ZINC000068847536 524063744 /nfs/dbraw/zinc/06/37/44/524063744.db2.gz ASBGWFBYYMMNPS-UHFFFAOYSA-N 2 0 269.433 1.470 10 0 CDAERP C[C@H](CC[NH2+]C(C)(C)C)N1CC[NH+](C2CC2)CC1 ZINC000052371443 524192666 /nfs/dbraw/zinc/19/26/66/524192666.db2.gz CUXBZJVJVOFQDP-CYBMUJFWSA-N 2 0 253.434 1.933 10 0 CDAERP C[C@@H]1CCC[N@@H+]1CCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000052375930 524261934 /nfs/dbraw/zinc/26/19/34/524261934.db2.gz RJQWTDNOWIVXHX-GFCCVEGCSA-N 2 0 265.405 1.651 10 0 CDAERP C[C@H]1CC[C@H](C(=O)NCC2CC[NH+](C)CC2)C[C@@H]1[NH3+] ZINC000055140159 524381446 /nfs/dbraw/zinc/38/14/46/524381446.db2.gz WVLXAWMHSXJFGC-UBHSHLNASA-N 2 0 267.417 1.208 10 0 CDAERP C[C@H]1CC[C@H](C[NH3+])[C@H]([N@@H+]2CCC[C@@H]2CN(C)C)C1 ZINC000061642532 524405106 /nfs/dbraw/zinc/40/51/06/524405106.db2.gz VGMOBCXZYCLBBJ-GBJTYRQASA-N 2 0 253.434 1.776 10 0 CDAERP C[C@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000055132632 524414311 /nfs/dbraw/zinc/41/43/11/524414311.db2.gz DQPGGAIVDOYUTR-DZKIICNBSA-N 2 0 293.455 1.837 10 0 CDAERP C[C@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)NCC(C)(C)[NH+](C)C ZINC000055141719 524414496 /nfs/dbraw/zinc/41/44/96/524414496.db2.gz SMJHTRURKWLAAA-SRVKXCTJSA-N 2 0 255.406 1.206 10 0 CDAERP C[C@@H]1CCC[C@](C[NH3+])(N2CCC[C@@H]2C[NH+](C)C)C1 ZINC000061643017 524428906 /nfs/dbraw/zinc/42/89/06/524428906.db2.gz WRACKDJITWPTKF-KFWWJZLASA-N 2 0 253.434 1.920 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCCC[NH+]2CCCCC2)CC[N@@H+]1C ZINC000339226129 524769052 /nfs/dbraw/zinc/76/90/52/524769052.db2.gz FHRYSHVCWAGICF-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H]([NH3+])c1cnc(N(C)CC[NH+]2CCCC2)s1 ZINC000063054481 524869241 /nfs/dbraw/zinc/86/92/41/524869241.db2.gz VJYZBLIUNCZFBB-JTQLQIEISA-N 2 0 254.403 1.695 10 0 CDAERP C[C@H]1C[C@H]([NH3+])CC[C@@H]1C(=O)NCC(C)(C)[NH+](C)C ZINC000055141746 524904980 /nfs/dbraw/zinc/90/49/80/524904980.db2.gz PPSPHWJRFDCQQU-TUAOUCFPSA-N 2 0 255.406 1.206 10 0 CDAERP C[C@H](C(=O)N1CCC[C@H]1C[NH+](C)C)[C@@H]([NH3+])c1ccccc1 ZINC000226820842 525977732 /nfs/dbraw/zinc/97/77/32/525977732.db2.gz FHVAUIRLBLETDF-CWRNSKLLSA-N 2 0 289.423 1.875 10 0 CDAERP O=C(CC[C@@H]1CCCC[NH2+]1)NCC[NH+]1CCCCCC1 ZINC000050949818 526546948 /nfs/dbraw/zinc/54/69/48/526546948.db2.gz OJWDABRBGIDPIY-HNNXBMFYSA-N 2 0 281.444 1.901 10 0 CDAERP NC(=O)C1CCC([NH2+]CCC[NH+]2CCCC2)CC1 ZINC000049332593 526853624 /nfs/dbraw/zinc/85/36/24/526853624.db2.gz LILMYKMGJJSKGH-UHFFFAOYSA-N 2 0 253.390 1.106 10 0 CDAERP [NH3+]CC1(N2CC[C@@H]([NH+]3CCCC3)C2)Cc2ccccc2C1 ZINC000062978392 527163507 /nfs/dbraw/zinc/16/35/07/527163507.db2.gz GJZGDCNBODQVOZ-QGZVFWFLSA-N 2 0 285.435 1.653 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@H](C(=O)NCCC[NH+]2CCCC2)C1 ZINC000062073467 527215575 /nfs/dbraw/zinc/21/55/75/527215575.db2.gz MUXVWHNVMOREGP-KGLIPLIRSA-N 2 0 267.417 1.354 10 0 CDAERP O=S1(=O)CCC[C@H]([NH+]2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000069139464 527303877 /nfs/dbraw/zinc/30/38/77/527303877.db2.gz NGVUBSASPNIBPY-UONOGXRCSA-N 2 0 286.441 1.028 10 0 CDAERP [NH3+][C@@H]1CCC[C@H](CC(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000055132660 527357691 /nfs/dbraw/zinc/35/76/91/527357691.db2.gz URGYCPQDJQQZJB-LSDHHAIUSA-N 2 0 293.455 1.981 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000246501397 527369255 /nfs/dbraw/zinc/36/92/55/527369255.db2.gz PVKXXGBYGMAICN-MELADBBJSA-N 2 0 265.401 1.058 10 0 CDAERP CN(CC[NH+](C)C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426689715 535848594 /nfs/dbraw/zinc/84/85/94/535848594.db2.gz WRUOAMHBQVDCHW-UHFFFAOYSA-N 2 0 269.433 1.519 10 0 CDAERP CC[C@H]([NH3+])CNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000418720381 536141852 /nfs/dbraw/zinc/14/18/52/536141852.db2.gz JDVPOGBMCAQHSU-AWEZNQCLSA-N 2 0 282.432 1.241 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCCN1CCc2ccccc21 ZINC000234716563 536594539 /nfs/dbraw/zinc/59/45/39/536594539.db2.gz FOZSQIRQBFMUDQ-MRXNPFEDSA-N 2 0 291.439 1.783 10 0 CDAERP [NH3+]C1(CC(=O)NCc2ccccc2C[NH+]2CCCC2)CC1 ZINC000662670193 538322646 /nfs/dbraw/zinc/32/26/46/538322646.db2.gz USBLOYCHROBTNY-UHFFFAOYSA-N 2 0 287.407 1.780 10 0 CDAERP C[N@@H+]1CCC[C@@]2(CC1)[NH2+]CC1(CCOCC1)CO2 ZINC000757145232 574891023 /nfs/dbraw/zinc/89/10/23/574891023.db2.gz PXQXYRIVINZNAB-CQSZACIVSA-N 2 0 254.374 1.215 10 0 CDAERP CN(C(=S)NC1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000731951779 575073475 /nfs/dbraw/zinc/07/34/75/575073475.db2.gz KEWAPRFSROYTTB-CQSZACIVSA-N 2 0 296.484 1.124 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=S)NCC2CC[NH+](C)CC2)C1 ZINC000760467661 576486140 /nfs/dbraw/zinc/48/61/40/576486140.db2.gz JFKSDJBVJFJVRC-CQSZACIVSA-N 2 0 298.500 1.134 10 0 CDAERP C(C[NH+]1CCCC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000760819505 576512921 /nfs/dbraw/zinc/51/29/21/576512921.db2.gz SGZIMYAKTRBLKV-UHFFFAOYSA-N 2 0 265.445 1.890 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)[C@H](C)COC ZINC001689939286 1175317496 /nfs/dbraw/zinc/31/74/96/1175317496.db2.gz NIUSYDGMGKAHKB-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP CC1(C)CO[C@H](C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000872143592 620694901 /nfs/dbraw/zinc/69/49/01/620694901.db2.gz UAGASULIQNDGCN-DZGCQCFKSA-N 2 0 252.402 1.877 10 0 CDAERP CC1(C)[C@@H]([NH2+]CCCN2CCCC2=O)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925513267 617419614 /nfs/dbraw/zinc/41/96/14/617419614.db2.gz IBIMZHFFCQYEDK-SNPRPXQTSA-N 2 0 279.428 1.365 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCN[C@@H]1C[NH+]2C[C@@H]1CCC2 ZINC000924572880 617487687 /nfs/dbraw/zinc/48/76/87/617487687.db2.gz MXFOYCNBAJBTMB-OWCLPIDISA-N 2 0 265.445 1.935 10 0 CDAERP CCn1cnnc1CC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925576319 617524181 /nfs/dbraw/zinc/52/41/81/617524181.db2.gz XKEGUKYDTVBOQR-VXGBXAGGSA-N 2 0 265.405 1.336 10 0 CDAERP C[C@H](CCO)C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925621782 617568412 /nfs/dbraw/zinc/56/84/12/617568412.db2.gz GFDMHMXFRUNSQD-YUELXQCFSA-N 2 0 254.418 1.763 10 0 CDAERP Cc1nn(C)c(C)c1CCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925632727 617579012 /nfs/dbraw/zinc/57/90/12/617579012.db2.gz YAAXJRFSKWBVLU-GMBUGEKQSA-N 2 0 288.439 1.556 10 0 CDAERP C[C@@H]([NH2+]CC1(n2cc(Br)cn2)CC1)C1C[NH2+]C1 ZINC000925840783 617871980 /nfs/dbraw/zinc/87/19/80/617871980.db2.gz XDULCFHITBWKCQ-SECBINFHSA-N 2 0 299.216 1.332 10 0 CDAERP CC1(C)[C@H]([NH2+][C@@H]2CCc3nc[nH]c3C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925668036 617621943 /nfs/dbraw/zinc/62/19/43/617621943.db2.gz FQOHLFIJNCEKDT-HKCMKHECSA-N 2 0 274.412 1.633 10 0 CDAERP COC[C@H](N[C@@H](C)[C@H]1CCC[NH2+]1)[C@@H]1CCCOC1 ZINC000925781411 617692416 /nfs/dbraw/zinc/69/24/16/617692416.db2.gz YLXLDNJIFCLZEV-DGAVXFQQSA-N 2 0 256.390 1.158 10 0 CDAERP CCO[C@@H]1COC[C@H]1[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925691564 617697826 /nfs/dbraw/zinc/69/78/26/617697826.db2.gz MJCBTRKIGNEFON-UMSGYPCISA-N 2 0 256.390 1.286 10 0 CDAERP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000925803084 617738247 /nfs/dbraw/zinc/73/82/47/617738247.db2.gz VHBNHVSFBRENED-XFZHLKPQSA-N 2 0 252.402 1.765 10 0 CDAERP C(CN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1)C[NH2+]C1CC1 ZINC000925711378 617806442 /nfs/dbraw/zinc/80/64/42/617806442.db2.gz YMHTTYHWOPQDLX-JKSUJKDBSA-N 2 0 265.445 1.886 10 0 CDAERP CC[C@@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000925836401 617865994 /nfs/dbraw/zinc/86/59/94/617865994.db2.gz KBISNTXPVQFVOE-WOPDTQHZSA-N 2 0 281.366 1.989 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+]CC[C@H](N(C)C)C(F)(F)F ZINC000925837771 617867953 /nfs/dbraw/zinc/86/79/53/617867953.db2.gz SNBCXMRGDDDIFS-GUBZILKMSA-N 2 0 255.328 1.584 10 0 CDAERP CCC[C@@H](CCO)[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925726130 617956266 /nfs/dbraw/zinc/95/62/66/617956266.db2.gz ZCMCGDXQPZXHDO-RFQIPJPRSA-N 2 0 254.418 1.904 10 0 CDAERP CC(C)C[C@](C)(C[NH3+])NC(=O)C=C1CC[NH2+]CC1 ZINC000852799983 617965078 /nfs/dbraw/zinc/96/50/78/617965078.db2.gz VZESSXGJFSMQTJ-CQSZACIVSA-N 2 0 253.390 1.176 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000925892603 617987303 /nfs/dbraw/zinc/98/73/03/617987303.db2.gz CCTCDCIWKFLSJS-QWHCGFSZSA-N 2 0 256.390 1.432 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC1(CC2CC2)CC1 ZINC000925732854 618046456 /nfs/dbraw/zinc/04/64/56/618046456.db2.gz DWBJPVQUPOQVLV-UBHSHLNASA-N 2 0 252.402 1.909 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]CCn2cnc3ccccc32)C12CCC2 ZINC000925507842 618194863 /nfs/dbraw/zinc/19/48/63/618194863.db2.gz NRUQNQFZVLZNHM-HUUCEWRRSA-N 2 0 270.380 1.896 10 0 CDAERP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccns1 ZINC000924947571 618368087 /nfs/dbraw/zinc/36/80/87/618368087.db2.gz DEINPLVSWADFQI-QWHCGFSZSA-N 2 0 282.457 1.677 10 0 CDAERP CC[NH+]1CCC(C[NH2+][C@@H]2[C@@H](C)COC[C@H]2C)CC1 ZINC000924955828 618396862 /nfs/dbraw/zinc/39/68/62/618396862.db2.gz UFTDQFJKWISMEQ-NHAGDIPZSA-N 2 0 254.418 1.979 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CC[C@](C)(O)c1ccccc1 ZINC000817924461 618489851 /nfs/dbraw/zinc/48/98/51/618489851.db2.gz RSUFHRJOUDOSDF-CVEARBPZSA-N 2 0 280.412 1.628 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCOC[C@H]1CCCO1 ZINC000925069529 618858516 /nfs/dbraw/zinc/85/85/16/618858516.db2.gz CAUWUXUTZJMWOH-PEUVFPKISA-N 2 0 268.401 1.112 10 0 CDAERP Cc1ccnc(N)c1C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000894660148 619012194 /nfs/dbraw/zinc/01/21/94/619012194.db2.gz JXXCJMJJXYZUTJ-UHFFFAOYSA-N 2 0 291.443 1.088 10 0 CDAERP C(CC[NH+]1CCOCC1)C[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902748063 625311165 /nfs/dbraw/zinc/31/11/65/625311165.db2.gz KMOWSVFILSOMQL-SMLCLMEVSA-N 2 0 294.439 1.502 10 0 CDAERP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000928434464 619076195 /nfs/dbraw/zinc/07/61/95/619076195.db2.gz DTVPPJBTQQSURQ-WOPDTQHZSA-N 2 0 255.406 1.362 10 0 CDAERP COC(=O)[C@@H]1[C@@H](C[NH2+]C(C)(C)CCC[NH+](C)C)C1(F)F ZINC000894904146 619136382 /nfs/dbraw/zinc/13/63/82/619136382.db2.gz FCRVFVXJGKDMPF-MNOVXSKESA-N 2 0 292.370 1.751 10 0 CDAERP Cc1ccnc(N)c1C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000895234682 619474668 /nfs/dbraw/zinc/47/46/68/619474668.db2.gz HRGLSDONZYPJPX-AWEZNQCLSA-N 2 0 293.459 1.334 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000841065158 621642951 /nfs/dbraw/zinc/64/29/51/621642951.db2.gz YFRNRVSDWWAWII-NZEXEKPDSA-N 2 0 272.483 1.954 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1CC2(C1)OCCO2 ZINC000927000884 621651013 /nfs/dbraw/zinc/65/10/13/621651013.db2.gz RHXIYHWTYLUEER-PBWFPOADSA-N 2 0 266.385 1.069 10 0 CDAERP CC(C)(CNC(=O)[C@@H]1CCC[N@@H+]1C1CC1)n1ccnc1 ZINC000898907217 621946868 /nfs/dbraw/zinc/94/68/68/621946868.db2.gz NVNDFAQEXVQIOM-ZDUSSCGKSA-N 2 0 276.384 1.361 10 0 CDAERP CCN1CC[NH+](C[C@H](C)CNC(=[NH2+])N[C@@H](C)C2CC2)CC1 ZINC000899264279 622128002 /nfs/dbraw/zinc/12/80/02/622128002.db2.gz AEEFKQFKKREGFE-KGLIPLIRSA-N 2 0 295.475 1.172 10 0 CDAERP CCO[C@@H](CNC(=[NH2+])N1CCC(C)CC1)C[NH+](C)C ZINC000899262591 622133922 /nfs/dbraw/zinc/13/39/22/622133922.db2.gz NLGXYYMAOZYQAC-ZDUSSCGKSA-N 2 0 270.421 1.209 10 0 CDAERP CC[NH+](CC)CCCCNC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000900688655 623375747 /nfs/dbraw/zinc/37/57/47/623375747.db2.gz LYJRCSQOUJJEQV-MRXNPFEDSA-N 2 0 299.459 1.071 10 0 CDAERP C[NH+]1CCC([C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC000901202470 623992220 /nfs/dbraw/zinc/99/22/20/623992220.db2.gz DZGPCKZOSXZYMY-HNNXBMFYSA-N 2 0 291.439 1.273 10 0 CDAERP C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1c1ccccc1 ZINC000901235275 624024892 /nfs/dbraw/zinc/02/48/92/624024892.db2.gz UQCSPQBBHBFINR-HOTGVXAUSA-N 2 0 299.418 1.644 10 0 CDAERP C(C[NH2+][C@H]1CCO[C@]12CCOC2)C[NH+]1CCCCC1 ZINC000903060199 625810825 /nfs/dbraw/zinc/81/08/25/625810825.db2.gz SYZGOVTULYWVAF-GJZGRUSLSA-N 2 0 268.401 1.400 10 0 CDAERP COc1ccc(OCC[N@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000903427268 625989019 /nfs/dbraw/zinc/98/90/19/625989019.db2.gz UJCQBYKFHKRJNH-KGLIPLIRSA-N 2 0 278.396 1.861 10 0 CDAERP C[N@@H+](Cc1cccc(C(N)=O)c1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903432891 625990674 /nfs/dbraw/zinc/99/06/74/625990674.db2.gz PTZJIKCDGJGUPG-OCCSQVGLSA-N 2 0 261.369 1.345 10 0 CDAERP CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903458547 625994318 /nfs/dbraw/zinc/99/43/18/625994318.db2.gz CWLGGQCDYABVMC-TUVASFSCSA-N 2 0 297.443 1.960 10 0 CDAERP Cc1nc(C2([NH2+]C[C@@H]3CC[C@H]([NH3+])C3)CCCC2)no1 ZINC000903458500 625994646 /nfs/dbraw/zinc/99/46/46/625994646.db2.gz BKTGKVWBTDRZAT-NEPJUHHUSA-N 2 0 264.373 1.864 10 0 CDAERP Cn1ccnc1[C@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903456283 626002437 /nfs/dbraw/zinc/00/24/37/626002437.db2.gz FQKHDUBCZOGNNC-RDBSUJKOSA-N 2 0 262.401 1.727 10 0 CDAERP CCCCC[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903490812 626010608 /nfs/dbraw/zinc/01/06/08/626010608.db2.gz JFYXLDFNYFRWAX-SCRDCRAPSA-N 2 0 254.374 1.389 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1csc(C)n1)C2 ZINC000903493746 626011078 /nfs/dbraw/zinc/01/10/78/626011078.db2.gz WGRSNEMKRRCLLC-WDMOLILDSA-N 2 0 295.408 1.164 10 0 CDAERP C=C/C=C\CC[N@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903494885 626011295 /nfs/dbraw/zinc/01/12/95/626011295.db2.gz OWZVCQOPPXIDSL-GENQKMHGSA-N 2 0 264.369 1.331 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)N(C)CC2CCCCC2)C[C@H]1CC[NH3+] ZINC000903497200 626012199 /nfs/dbraw/zinc/01/21/99/626012199.db2.gz QASKTWVFNXOFSJ-GDBMZVCRSA-N 2 0 295.471 1.942 10 0 CDAERP C[C@@]1([C@H]2CCC[N@H+](C[C@@H]3CC[C@H]([NH3+])C3)C2)COC(=O)N1 ZINC000903561821 626019606 /nfs/dbraw/zinc/01/96/06/626019606.db2.gz NFAFBBQBNMNGDO-OSFYFWSMSA-N 2 0 281.400 1.324 10 0 CDAERP C(CN1CC[C@H]2[NH2+]CC[C@H]2C1)OC1CCSCC1 ZINC000903750358 626072116 /nfs/dbraw/zinc/07/21/16/626072116.db2.gz YRWUFXSYFMUIQM-GXTWGEPZSA-N 2 0 270.442 1.582 10 0 CDAERP OC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903877461 626129780 /nfs/dbraw/zinc/12/97/80/626129780.db2.gz AHHJPFDYKYYWFB-BHOIJHMLSA-N 2 0 250.386 1.505 10 0 CDAERP CC[C@]1(C)CC[N@H+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903908930 626142940 /nfs/dbraw/zinc/14/29/40/626142940.db2.gz BGAKVACTGXUDPB-GDBMZVCRSA-N 2 0 278.444 1.968 10 0 CDAERP Cc1c(C[C@H](C[NH3+])CNc2ccc(C[NH3+])cc2)cnn1C ZINC000903920703 626146891 /nfs/dbraw/zinc/14/68/91/626146891.db2.gz WPHHTLZJTQKJAT-CQSZACIVSA-N 2 0 287.411 1.417 10 0 CDAERP Nc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903932343 626152037 /nfs/dbraw/zinc/15/20/37/626152037.db2.gz BHDFKOWKVQWLOW-PWSUYJOCSA-N 2 0 255.312 1.828 10 0 CDAERP [NH3+][C@@H](CN[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)CC(F)F ZINC000903932998 626152887 /nfs/dbraw/zinc/15/28/87/626152887.db2.gz JIYUJGXVSPABAT-MGPQQGTHSA-N 2 0 283.366 1.704 10 0 CDAERP COC(=O)[C@]12CCC[C@H]1C[N@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000903939863 626161020 /nfs/dbraw/zinc/16/10/20/626161020.db2.gz PDVFDYRDKHVHML-IVGDKVGSSA-N 2 0 292.423 1.792 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@@H](CF)C2)cnn1C ZINC000903940042 626161639 /nfs/dbraw/zinc/16/16/39/626161639.db2.gz UEBLEJFECOJTGO-QWHCGFSZSA-N 2 0 268.380 1.137 10 0 CDAERP Cc1cc(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)ccc1-n1cncn1 ZINC000903974193 626169200 /nfs/dbraw/zinc/16/92/00/626169200.db2.gz LLMTUDWRGOBTJB-GDBMZVCRSA-N 2 0 299.422 1.911 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000903979075 626170339 /nfs/dbraw/zinc/17/03/39/626170339.db2.gz UVQJBFHAFFAEFT-QCODTGAPSA-N 3 0 265.445 1.742 10 0 CDAERP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@@H]1C[NH2+]C[C@H]1C ZINC000903964707 626171344 /nfs/dbraw/zinc/17/13/44/626171344.db2.gz UBAVMRLROFHDEP-SRABZTEZSA-N 2 0 273.424 1.704 10 0 CDAERP [NH3+][C@H](CC(F)F)CN1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903983826 626173557 /nfs/dbraw/zinc/17/35/57/626173557.db2.gz MJNIUNYJIDORQO-GJMOJQLCSA-N 2 0 275.265 1.180 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[NH2+][C@@H]2CCO[C@H]2C2CC2)cnn1C ZINC000903986909 626174329 /nfs/dbraw/zinc/17/43/29/626174329.db2.gz SRXICOZNAUCAJT-MAZHCROVSA-N 2 0 292.427 1.003 10 0 CDAERP CC(C)C[C@@H]([NH3+])CN1CCC[C@H](c2ccn(C)n2)C1 ZINC000903988155 626174838 /nfs/dbraw/zinc/17/48/38/626174838.db2.gz OGFQGKMJGBUSQF-UONOGXRCSA-N 2 0 264.417 1.973 10 0 CDAERP C[NH+]1CCC(CNC(=[NH2+])NC[C@@H]2CCCS2)CC1 ZINC000905042267 626381762 /nfs/dbraw/zinc/38/17/62/626381762.db2.gz NKYXHSHRELUNSC-LBPRGKRZSA-N 2 0 270.446 1.338 10 0 CDAERP C[N@H+](CCCCNC(=[NH2+])NC[C@H]1CCCS1)C1CC1 ZINC000905043019 626382256 /nfs/dbraw/zinc/38/22/56/626382256.db2.gz IYFSOCNIZMTMSU-CYBMUJFWSA-N 2 0 284.473 1.870 10 0 CDAERP CC1(C)[C@@H]([NH3+])C[C@@H]1c1nc(CC2CC[NH2+]CC2)no1 ZINC000905308136 626757683 /nfs/dbraw/zinc/75/76/83/626757683.db2.gz FWKMVKWDPBQWGZ-MNOVXSKESA-N 2 0 264.373 1.453 10 0 CDAERP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC000908287008 628113830 /nfs/dbraw/zinc/11/38/30/628113830.db2.gz DROCXCYNBRNWFA-ILXRZTDVSA-N 2 0 281.444 1.848 10 0 CDAERP C/C(Cl)=C/C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000912304004 629913585 /nfs/dbraw/zinc/91/35/85/629913585.db2.gz NYVJGEAQIKBPFF-MMRAYRKESA-N 2 0 275.824 1.517 10 0 CDAERP CC[NH+](CC)CCSCC(=O)N1CC([NH+]2CCCC2)C1 ZINC000912325375 629937073 /nfs/dbraw/zinc/93/70/73/629937073.db2.gz WKDFVZFGHWNDMY-UHFFFAOYSA-N 2 0 299.484 1.368 10 0 CDAERP CC[C@H](C(=O)N1CC[C@@H]([NH+]2CCC2)C1)[NH+](CC)CC ZINC000912914891 630283346 /nfs/dbraw/zinc/28/33/46/630283346.db2.gz AAMMWOSAHTXURH-ZIAGYGMSSA-N 2 0 267.417 1.413 10 0 CDAERP CC[C@H](C(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1)[NH+](CC)CC ZINC000913287930 630436040 /nfs/dbraw/zinc/43/60/40/630436040.db2.gz KRVOAVOGDKMFBW-DJIMGWMZSA-N 2 0 295.471 1.907 10 0 CDAERP O[C@@H](C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)C1(O)CCC1 ZINC000929720402 630712444 /nfs/dbraw/zinc/71/24/44/630712444.db2.gz WSKPMEALTAJWBT-CABCVRRESA-N 2 0 282.428 1.070 10 0 CDAERP CC(C)[C@H]1CN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC[N@@H+]1C ZINC000913761632 630747037 /nfs/dbraw/zinc/74/70/37/630747037.db2.gz ULCFQIXAAXWKGH-ARFHVFGLSA-N 2 0 293.455 1.802 10 0 CDAERP C[C@H]1[C@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)CC[N@@H+]1C ZINC000914275063 631305872 /nfs/dbraw/zinc/30/58/72/631305872.db2.gz GPKUZSOHFYQEQZ-GXTWGEPZSA-N 2 0 296.459 1.641 10 0 CDAERP COCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001690336889 1175441922 /nfs/dbraw/zinc/44/19/22/1175441922.db2.gz WKTULHQUYOMQEK-ZNMIVQPWSA-N 2 0 297.443 1.133 10 0 CDAERP CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001666902005 1158760327 /nfs/dbraw/zinc/76/03/27/1158760327.db2.gz AETFOITVEDNUKE-STQMWFEESA-N 2 0 255.406 1.316 10 0 CDAERP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CC[C@H](C)F ZINC001418730690 1159168777 /nfs/dbraw/zinc/16/87/77/1159168777.db2.gz OIFMZPBEWQDACL-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@@H](C[NH2+]CCCC1CCC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001699398710 1159621106 /nfs/dbraw/zinc/62/11/06/1159621106.db2.gz YDPDRWNBNQPISM-ZFWWWQNUSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H](C[NH2+]CC1CC1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001483172317 1160779164 /nfs/dbraw/zinc/77/91/64/1160779164.db2.gz MFECMXMFQYWCOG-KGLIPLIRSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)[C@@H](n2cncn2)C1 ZINC001771768963 1164320260 /nfs/dbraw/zinc/32/02/60/1164320260.db2.gz YUXUVAAQFBPFJZ-LJIZCISZSA-N 2 0 291.443 1.938 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)NCCCCc1cc[nH+]c(N)c1 ZINC001608285582 1164480711 /nfs/dbraw/zinc/48/07/11/1164480711.db2.gz ZOTYMKHMHICRGQ-CQSZACIVSA-N 2 0 290.411 1.587 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)c1ccccc1 ZINC000870915664 1165233509 /nfs/dbraw/zinc/23/35/09/1165233509.db2.gz PHYBJPAKFOSZOQ-AESZEHBQSA-N 2 0 287.407 1.533 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001645745753 1167485803 /nfs/dbraw/zinc/48/58/03/1167485803.db2.gz GLLVAJPQKSFCBS-KFWWJZLASA-N 2 0 298.475 1.889 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCCOC)C1 ZINC001566664654 1168027560 /nfs/dbraw/zinc/02/75/60/1168027560.db2.gz WAPSXGWBENNGNI-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)N(C)CC[NH+](C)C)CC1 ZINC001566177686 1168248084 /nfs/dbraw/zinc/24/80/84/1168248084.db2.gz VTDHUGAOFYLUES-UHFFFAOYSA-N 2 0 269.433 1.374 10 0 CDAERP CC[NH+](CC)CC[C@@H](C)NC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC001647011862 1168348146 /nfs/dbraw/zinc/34/81/46/1168348146.db2.gz GUGVQVJPQZGJCJ-ZBFHGGJFSA-N 2 0 299.459 1.070 10 0 CDAERP COCC[NH2+]CC[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001568076028 1169132881 /nfs/dbraw/zinc/13/28/81/1169132881.db2.gz KVDONQZRLZELHH-HNNXBMFYSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CCF)[NH+](C)C ZINC001568141074 1169147042 /nfs/dbraw/zinc/14/70/42/1169147042.db2.gz UAIXPLKZYNBCJY-OLZOCXBDSA-N 2 0 273.396 1.123 10 0 CDAERP c1ccc([C@H](CNc2cc[nH+]cc2)N2CCOCC2)cc1 ZINC001649710784 1169300370 /nfs/dbraw/zinc/30/03/70/1169300370.db2.gz VXRSJCPEUGGEFJ-KRWDZBQOSA-N 2 0 283.375 1.989 10 0 CDAERP CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001568876853 1169529777 /nfs/dbraw/zinc/52/97/77/1169529777.db2.gz ATJSOXCOKAKNDU-YVACAVLKSA-N 2 0 281.444 1.779 10 0 CDAERP C[C@@H](F)CC[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001568905713 1169544230 /nfs/dbraw/zinc/54/42/30/1169544230.db2.gz DICQXRLDUPRGCK-LSAHJQLBSA-N 2 0 299.434 1.727 10 0 CDAERP CC[N@@H+]1CC[C@@](C)(NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001569654418 1169957004 /nfs/dbraw/zinc/95/70/04/1169957004.db2.gz HUUSXVOJRVCSLB-MRXNPFEDSA-N 2 0 281.444 1.853 10 0 CDAERP CC(C)C[NH2+][C@H](C)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001570608782 1170209723 /nfs/dbraw/zinc/20/97/23/1170209723.db2.gz SVGLOJVDPZEMIQ-OLZOCXBDSA-N 2 0 269.433 1.610 10 0 CDAERP CCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001571486052 1170450804 /nfs/dbraw/zinc/45/08/04/1170450804.db2.gz ZEEHKFOENFXLQH-QWHCGFSZSA-N 2 0 255.406 1.317 10 0 CDAERP CC[NH2+][C@@H]1CC[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001656368902 1171812397 /nfs/dbraw/zinc/81/23/97/1171812397.db2.gz BEWMMUXLDMTBEA-UONOGXRCSA-N 2 0 269.433 1.613 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001656831162 1171884062 /nfs/dbraw/zinc/88/40/62/1171884062.db2.gz YIZJNAMYIMLQNW-CVEARBPZSA-N 2 0 295.471 1.909 10 0 CDAERP CC(C)C[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001664395425 1172849991 /nfs/dbraw/zinc/84/99/91/1172849991.db2.gz QNHOMKPAILLURQ-OAHLLOKOSA-N 2 0 283.460 1.811 10 0 CDAERP CCC[NH2+]CC[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001666172603 1173115353 /nfs/dbraw/zinc/11/53/53/1173115353.db2.gz JTZOMDYKWKELSO-HNNXBMFYSA-N 2 0 281.444 1.711 10 0 CDAERP C[C@H](C[NH2+]CCF)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001667008423 1173220344 /nfs/dbraw/zinc/22/03/44/1173220344.db2.gz UCCHWZWTYARPEA-GFCCVEGCSA-N 2 0 273.396 1.124 10 0 CDAERP CC(C)C[NH2+]C/C=C/CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001669200758 1173516848 /nfs/dbraw/zinc/51/68/48/1173516848.db2.gz IMILSAXADBJVFB-FKZIUMHTSA-N 2 0 281.444 1.777 10 0 CDAERP CCCC[NH2+][C@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1(C)C ZINC001677023813 1174309043 /nfs/dbraw/zinc/30/90/43/1174309043.db2.gz PMTTUHFTWNESPE-GJZGRUSLSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)CCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001690369852 1175451634 /nfs/dbraw/zinc/45/16/34/1175451634.db2.gz AVSSWUQPINFXSF-GASCZTMLSA-N 2 0 283.460 2.000 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NC1(C[NH2+]CCF)CCCC1 ZINC001698635633 1175881686 /nfs/dbraw/zinc/88/16/86/1175881686.db2.gz COBDMTCODNOUAO-GFCCVEGCSA-N 2 0 271.380 1.069 10 0 CDAERP CCN(CC[NH2+]CCC(C)C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001699214410 1176142429 /nfs/dbraw/zinc/14/24/29/1176142429.db2.gz LJPPEXAEKDXBJH-HNNXBMFYSA-N 2 0 283.460 1.812 10 0 CDAERP CC(C)CC[NH2+]C/C=C/CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001699333966 1176246886 /nfs/dbraw/zinc/24/68/86/1176246886.db2.gz CLLYDSSSOYKDCN-MBVDDHJVSA-N 2 0 281.444 1.636 10 0 CDAERP O=C(N[C@@H](C[NH2+]CCCF)C1CC1)C12CCC[NH+]1CCC2 ZINC001699581163 1176483567 /nfs/dbraw/zinc/48/35/67/1176483567.db2.gz VXLHRNIKVRGEBX-AWEZNQCLSA-N 2 0 297.418 1.459 10 0 CDAERP CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001699953668 1176694852 /nfs/dbraw/zinc/69/48/52/1176694852.db2.gz WCJGSMLWPHHCDP-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CCF)C1 ZINC001700063264 1176737088 /nfs/dbraw/zinc/73/70/88/1176737088.db2.gz YVTDIBHMFFDTAQ-GJZGRUSLSA-N 2 0 299.434 1.657 10 0 CDAERP CC/C=C\CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001700469994 1176959484 /nfs/dbraw/zinc/95/94/84/1176959484.db2.gz JIAJNPXCOVWUKP-NHQLZKDQSA-N 2 0 281.444 1.873 10 0 CDAERP CC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001700507038 1176988147 /nfs/dbraw/zinc/98/81/47/1176988147.db2.gz OJQMYFALRNZVOA-KBPBESRZSA-N 2 0 269.433 1.421 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CCCOC)[C@@H]1C ZINC001700891260 1177182231 /nfs/dbraw/zinc/18/22/31/1177182231.db2.gz ZNGOMGJXCIPQQS-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]CCCF)C1 ZINC001701025578 1177245662 /nfs/dbraw/zinc/24/56/62/1177245662.db2.gz XARBUDSTHGCRQA-HSBZDZAISA-N 2 0 285.407 1.267 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001707063937 1177936379 /nfs/dbraw/zinc/93/63/79/1177936379.db2.gz TVAZLKVMYRZMOV-HUUCEWRRSA-N 2 0 281.444 1.661 10 0 CDAERP CC[N@@H+](C/C=C\Cl)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001707472297 1178069503 /nfs/dbraw/zinc/06/95/03/1178069503.db2.gz KTZTYCOJOCSLMJ-CLTKARDFSA-N 2 0 299.846 1.663 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001713238103 1178448186 /nfs/dbraw/zinc/44/81/86/1178448186.db2.gz CVPSZIMISJIKLV-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP CN(CC[NH2+]CCC1CC1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001713605823 1178678141 /nfs/dbraw/zinc/67/81/41/1178678141.db2.gz OSMABMFAVBMXJK-JKSUJKDBSA-N 2 0 293.455 1.851 10 0 CDAERP CC(C)OCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001713988856 1178910417 /nfs/dbraw/zinc/91/04/17/1178910417.db2.gz IUQBVOGQGHLUBZ-OKILXGFUSA-N 2 0 297.443 1.133 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001714343832 1179096386 /nfs/dbraw/zinc/09/63/86/1179096386.db2.gz XLJDBAHRYWNGCE-CABCVRRESA-N 2 0 281.444 1.565 10 0 CDAERP C[NH+](C)C1(C(=O)NCCC[C@@H]2CCC[N@@H+]2CCF)CCC1 ZINC001714520494 1179180347 /nfs/dbraw/zinc/18/03/47/1179180347.db2.gz QRRFHLZBABSRQD-CQSZACIVSA-N 2 0 299.434 1.801 10 0 CDAERP CN(CC[NH2+]CCF)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001714779625 1179391212 /nfs/dbraw/zinc/39/12/12/1179391212.db2.gz FPYMXAKRPASTTC-OLZOCXBDSA-N 2 0 273.396 1.124 10 0 CDAERP CC(C)C[NH2+]CCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001714777255 1179392789 /nfs/dbraw/zinc/39/27/89/1179392789.db2.gz TZIXLHOVRWYFRH-UHFFFAOYSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)=CC[NH+]1CC(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001714973037 1179485617 /nfs/dbraw/zinc/48/56/17/1179485617.db2.gz BPYVIMVGXCUEFU-AWEZNQCLSA-N 2 0 279.428 1.342 10 0 CDAERP CC[NH2+]CCC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001715178136 1179570043 /nfs/dbraw/zinc/57/00/43/1179570043.db2.gz DWUHFJUMBFVQFR-AWEZNQCLSA-N 2 0 267.417 1.176 10 0 CDAERP CC[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001715312858 1179618015 /nfs/dbraw/zinc/61/80/15/1179618015.db2.gz WZNMEABOXYFYNQ-CYBMUJFWSA-N 2 0 267.417 1.367 10 0 CDAERP C[C@H](C[NH2+]C/C=C\Cl)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001715330294 1179627927 /nfs/dbraw/zinc/62/79/27/1179627927.db2.gz LPIPFBJHTVVVLX-GUQLZWLHSA-N 2 0 299.846 1.517 10 0 CDAERP C[C@H](C[NH2+]CCCCCF)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001715373629 1179648427 /nfs/dbraw/zinc/64/84/27/1179648427.db2.gz GBIDUVFOLTWRAK-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP CC/C=C\CC[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001715536458 1179706807 /nfs/dbraw/zinc/70/68/07/1179706807.db2.gz HEEOHJDUCLADGD-XHPSBEMXSA-N 2 0 281.444 1.685 10 0 CDAERP CC(C)=CC[NH2+]CC[C@H](C)NC(=O)CC[NH+](C)C ZINC001715677490 1179761457 /nfs/dbraw/zinc/76/14/57/1179761457.db2.gz JDWPFWXVMNOGCY-ZDUSSCGKSA-N 2 0 255.406 1.389 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CC[NH2+]C[C@@H]1CCCOC1 ZINC001715714943 1179773836 /nfs/dbraw/zinc/77/38/36/1179773836.db2.gz OOGNPSPSWHCGND-CABCVRRESA-N 2 0 299.459 1.238 10 0 CDAERP CCC[NH2+]CCN(CC)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001715741328 1179786277 /nfs/dbraw/zinc/78/62/77/1179786277.db2.gz BMSBSYHAIUFLPS-GJZGRUSLSA-N 2 0 281.444 1.851 10 0 CDAERP C[C@@H](F)CC[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001715850073 1179869441 /nfs/dbraw/zinc/86/94/41/1179869441.db2.gz DXGKIMZLQJPIQF-FGTRRKKMSA-N 2 0 271.380 1.091 10 0 CDAERP CCN(CC[NH2+]C/C=C/Cl)C(=O)C12CC[NH+](CC1)C2 ZINC001716249160 1180119077 /nfs/dbraw/zinc/11/90/77/1180119077.db2.gz RIYRBEYVVQWSPE-ZZXKWVIFSA-N 2 0 285.819 1.273 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CCF ZINC001716521727 1180265795 /nfs/dbraw/zinc/26/57/95/1180265795.db2.gz LLPMSIYTAIDOFI-KBPBESRZSA-N 2 0 287.423 1.562 10 0 CDAERP Cc1nocc1C[NH2+]CCCN(C)C(=O)C[N@@H+](C)C(C)C ZINC001716586633 1180295698 /nfs/dbraw/zinc/29/56/98/1180295698.db2.gz BLKRXINFZTVLLP-UHFFFAOYSA-N 2 0 296.415 1.261 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H](CC[NH2+]CC3CC3)C2)C1 ZINC001717106452 1180532409 /nfs/dbraw/zinc/53/24/09/1180532409.db2.gz PBOSNMSEAUWUMZ-CVEARBPZSA-N 2 0 293.455 1.566 10 0 CDAERP CCCC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001717200040 1180570829 /nfs/dbraw/zinc/57/08/29/1180570829.db2.gz YFSKSELLRFVFCY-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP CCCC[NH2+]CC1CC(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001717389625 1180643997 /nfs/dbraw/zinc/64/39/97/1180643997.db2.gz UZFIADFGJUFDCD-UHFFFAOYSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001717413391 1180659781 /nfs/dbraw/zinc/65/97/81/1180659781.db2.gz RYYDZTBOHHFJDW-KBPBESRZSA-N 2 0 281.444 1.920 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)CC1CCC1 ZINC001717498941 1180713218 /nfs/dbraw/zinc/71/32/18/1180713218.db2.gz UHDUEJFQLOICIC-GXTWGEPZSA-N 2 0 267.417 1.175 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]CC(C)C)C1 ZINC001717650638 1180774492 /nfs/dbraw/zinc/77/44/92/1180774492.db2.gz ZIYSLGJYRWFNFV-HDJSIYSDSA-N 2 0 269.433 1.469 10 0 CDAERP C[C@@H]1[C@@H]([NH2+]CCCF)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001717797604 1180860031 /nfs/dbraw/zinc/86/00/31/1180860031.db2.gz DZQGKPICOQQNMA-OLZOCXBDSA-N 2 0 285.407 1.267 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@@H]2CC[C@H](C[NH2+]CCCF)C2)CC1 ZINC001717879593 1180909425 /nfs/dbraw/zinc/90/94/25/1180909425.db2.gz QXUPHLIEEQUAGP-UONOGXRCSA-N 2 0 299.434 1.562 10 0 CDAERP COCCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001717954111 1180945622 /nfs/dbraw/zinc/94/56/22/1180945622.db2.gz CFVHTTDUDAQAAO-KBPBESRZSA-N 2 0 299.459 1.238 10 0 CDAERP CC(C)C[N@H+]1CC=C(CNC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001718031130 1180978365 /nfs/dbraw/zinc/97/83/65/1180978365.db2.gz MONSJASNTKOPJL-MRXNPFEDSA-N 2 0 293.455 1.733 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001723451106 1181565810 /nfs/dbraw/zinc/56/58/10/1181565810.db2.gz NYEPQUAGYPDHSM-NFAHFFEMSA-N 2 0 293.455 1.875 10 0 CDAERP CC[C@@H](C(=O)N1CC[C@H](CC[NH2+]CC2CC2)C1)[NH+](C)C ZINC001724734599 1181736686 /nfs/dbraw/zinc/73/66/86/1181736686.db2.gz SWXPYHJKYSNVAW-GJZGRUSLSA-N 2 0 281.444 1.565 10 0 CDAERP O=C(NCC1([NH2+]CCCF)CCC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001724786059 1181753673 /nfs/dbraw/zinc/75/36/73/1181753673.db2.gz NDWAZTVLDNCBAT-CQSZACIVSA-N 2 0 297.418 1.316 10 0 CDAERP CCC[NH2+][C@@H](C)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001725132284 1181877502 /nfs/dbraw/zinc/87/75/02/1181877502.db2.gz WCMIPIPZJRBIDK-KBPBESRZSA-N 2 0 269.433 1.755 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)CC)[NH+](CC)CC ZINC001725182724 1181909984 /nfs/dbraw/zinc/90/99/84/1181909984.db2.gz WKKAJCPVCAIVMW-CHWSQXEVSA-N 2 0 257.422 1.563 10 0 CDAERP CCC[NH2+]CCC[C@H](C)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001725414830 1181992663 /nfs/dbraw/zinc/99/26/63/1181992663.db2.gz QOVOCPWWJCABJX-HOCLYGCPSA-N 2 0 281.444 1.757 10 0 CDAERP C[C@H](NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2)[C@@H]1CCC[NH2+]C1 ZINC000261986839 1182203852 /nfs/dbraw/zinc/20/38/52/1182203852.db2.gz KKWNWIYTXLNRSZ-KNCOVGOOSA-N 2 0 279.428 1.271 10 0 CDAERP CC/C=C/CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001731838755 1182617588 /nfs/dbraw/zinc/61/75/88/1182617588.db2.gz UKIOIUNDURXEPY-FZZYSBJUSA-N 2 0 293.455 1.875 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+]C[C@H]1CCO[C@@H](C)C1 ZINC001731987230 1182715542 /nfs/dbraw/zinc/71/55/42/1182715542.db2.gz BWMTXYNZLQPPSO-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)C[NH2+]C/C=C\Cl ZINC001732357283 1182925360 /nfs/dbraw/zinc/92/53/60/1182925360.db2.gz RQQSOLQYWPGHSI-KMSCOEIWSA-N 2 0 287.835 1.423 10 0 CDAERP COCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001732524584 1182996153 /nfs/dbraw/zinc/99/61/53/1182996153.db2.gz NSOWWXGUGVUPES-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP CCCCC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001732570923 1183016326 /nfs/dbraw/zinc/01/63/26/1183016326.db2.gz SWQBGUUUVYLYQN-HUUCEWRRSA-N 2 0 283.460 1.859 10 0 CDAERP CCN(CC[NH2+]Cc1ccsc1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001732766894 1183117717 /nfs/dbraw/zinc/11/77/17/1183117717.db2.gz JFMZTWDGVHNWTB-AWEZNQCLSA-N 2 0 295.452 1.780 10 0 CDAERP COC[C@@H](C)[NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001732886705 1183171238 /nfs/dbraw/zinc/17/12/38/1183171238.db2.gz TWEUDNVKXJTDMC-GEXIGZQTSA-N 2 0 297.443 1.158 10 0 CDAERP C[C@@H](C[NH2+]CCCF)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001732996339 1183228655 /nfs/dbraw/zinc/22/86/55/1183228655.db2.gz IPKVRYYUVZXVLD-ZDUSSCGKSA-N 2 0 287.423 1.705 10 0 CDAERP CC[N@H+](C)C[C@H](C)NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001733045804 1183261877 /nfs/dbraw/zinc/26/18/77/1183261877.db2.gz RVIQFOWITXITIW-STQMWFEESA-N 2 0 255.406 1.317 10 0 CDAERP CCCCC[NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001733143098 1183305302 /nfs/dbraw/zinc/30/53/02/1183305302.db2.gz BYORENCCHOQMFE-AWEZNQCLSA-N 2 0 269.433 1.566 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]CCC(C)(C)C)C2CC2)C1 ZINC001733190915 1183324853 /nfs/dbraw/zinc/32/48/53/1183324853.db2.gz QZKTVZXNJPWLHY-HUUCEWRRSA-N 2 0 295.471 1.859 10 0 CDAERP CCCCCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001733208137 1183334755 /nfs/dbraw/zinc/33/47/55/1183334755.db2.gz WAHJUAUTXCXKBH-GJZGRUSLSA-N 2 0 281.444 1.851 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001734341692 1183739307 /nfs/dbraw/zinc/73/93/07/1183739307.db2.gz QSPHZTPDAQGPGH-AWEZNQCLSA-N 2 0 281.444 1.731 10 0 CDAERP C[NH+](C)CCCNC(=O)[C@@H]1[NH2+]CC[C@@H]2CCCC[C@@H]12 ZINC000312074977 1186695443 /nfs/dbraw/zinc/69/54/43/1186695443.db2.gz PQENCAGIKFFEGQ-BFHYXJOUSA-N 2 0 267.417 1.223 10 0 CDAERP CCOC(=O)CCCCC[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000312985015 1186706706 /nfs/dbraw/zinc/70/67/06/1186706706.db2.gz LPSALSLFFOMCQL-CABCVRRESA-N 2 0 282.428 1.993 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC([NH+](CC)CC)CC1 ZINC001771820530 1186888590 /nfs/dbraw/zinc/88/85/90/1186888590.db2.gz SHXXZCZJMQLUHE-LSDHHAIUSA-N 2 0 296.459 1.643 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CC[C@H]2C[C@@H](C)C[N@@H+]2C1 ZINC001772441049 1187232962 /nfs/dbraw/zinc/23/29/62/1187232962.db2.gz KFPGXNRWDUKCFA-LVQVYYBASA-N 2 0 295.471 1.809 10 0 CDAERP [NH3+][C@H]1CCCC[C@H]1C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000394514969 1187289752 /nfs/dbraw/zinc/28/97/52/1187289752.db2.gz CDUHJBSUSQZJKP-KGLIPLIRSA-N 2 0 265.401 1.201 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)N1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000868369875 1164939152 /nfs/dbraw/zinc/93/91/52/1164939152.db2.gz IUGYWMHGSUYOFO-GJZGRUSLSA-N 2 0 296.459 1.454 10 0 CDAERP C[N@@H+]1C[C@]23C[NH+](CCC(C)(C)O)C[C@@]2(C1)CCCC3 ZINC001620683814 1165665861 /nfs/dbraw/zinc/66/58/61/1165665861.db2.gz SMWYBPDZFYAHMK-IYBDPMFKSA-N 2 0 266.429 1.955 10 0 CDAERP C[NH+](C)CC1(C(=O)NCC[NH+]2CC=CC2)CCCCC1 ZINC001629696491 1166157781 /nfs/dbraw/zinc/15/77/81/1166157781.db2.gz OGDHAGBPFMOENC-UHFFFAOYSA-N 2 0 279.428 1.487 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)C[NH+](C)C ZINC000723639650 829268994 /nfs/dbraw/zinc/26/89/94/829268994.db2.gz SYPFXZWCFVTTFT-APIJFGDWSA-N 2 0 254.418 1.979 10 0 CDAERP CC(C)(O)C[C@H](O)C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000872215501 828823962 /nfs/dbraw/zinc/82/39/62/828823962.db2.gz CKZZBSURGTXBNM-HNNXBMFYSA-N 2 0 284.444 1.220 10 0 CDAERP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@H]3CN4CCC[C@H]4CO3)C[C@H]2C1 ZINC000818330651 828827712 /nfs/dbraw/zinc/82/77/12/828827712.db2.gz BFCNMDFLYFLSQP-DBWAAGBOSA-N 2 0 294.439 1.643 10 0 CDAERP COC(=O)N1CCC[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925565604 828867824 /nfs/dbraw/zinc/86/78/24/828867824.db2.gz VCUHZWWRDNZNSR-QJPTWQEYSA-N 2 0 267.373 1.077 10 0 CDAERP CN(C(=O)[C@H]1CC[C@H]([NH3+])CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC000711028442 833133610 /nfs/dbraw/zinc/13/36/10/833133610.db2.gz SJWYZMOSGAAIDL-MGPQQGTHSA-N 2 0 265.401 1.057 10 0 CDAERP CC1([NH3+])CC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923344568 833212430 /nfs/dbraw/zinc/21/24/30/833212430.db2.gz FHRILBDZCVWQKG-AGUYFDCRSA-N 3 0 251.418 1.720 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CC2(S(C)(=O)=O)CC2)C1 ZINC000925664336 833263166 /nfs/dbraw/zinc/26/31/66/833263166.db2.gz YBQYSEOKAPNCEP-QWRGUYRKSA-N 2 0 274.430 1.059 10 0 CDAERP C[C@H]1[C@H](NC(=O)C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)CCC[C@@H]1C ZINC000923509974 833289831 /nfs/dbraw/zinc/28/98/31/833289831.db2.gz RNMXJXXRTMEWBF-UYJHQMFVSA-N 2 0 295.471 1.844 10 0 CDAERP CC[NH+](CC)CCCN1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923533481 833301378 /nfs/dbraw/zinc/30/13/78/833301378.db2.gz LVDQBHBPIGNMGG-HNNXBMFYSA-N 2 0 253.434 1.936 10 0 CDAERP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1)[NH2+]2 ZINC000925725748 833302994 /nfs/dbraw/zinc/30/29/94/833302994.db2.gz NJSBHHHWGNFOEE-UQGHGMQMSA-N 3 0 251.418 1.623 10 0 CDAERP CCn1nc(C)c([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)n1 ZINC000926573837 833305105 /nfs/dbraw/zinc/30/51/05/833305105.db2.gz QDNOILIDSJRXQQ-TZMCWYRMSA-N 2 0 279.432 1.989 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)[C@@H]([NH3+])CC1CC1 ZINC000311861271 833316348 /nfs/dbraw/zinc/31/63/48/833316348.db2.gz QOXPPIKEQOXDGA-BNOWGMLFSA-N 2 0 265.401 1.199 10 0 CDAERP C[C@@H]1CN(C)C[C@H]1[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925887674 828845735 /nfs/dbraw/zinc/84/57/35/828845735.db2.gz JRQIBCOVHTWCCP-DZUCGIPZSA-N 2 0 273.424 1.585 10 0 CDAERP Cn1cnc(CCCN[C@H]2CC[NH2+]C23CCCC3)n1 ZINC000925712047 828848869 /nfs/dbraw/zinc/84/88/69/828848869.db2.gz ZNGOAEFYRKTVEQ-LBPRGKRZSA-N 2 0 263.389 1.012 10 0 CDAERP COC[C@H](C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)C(C)C ZINC000721963302 828853422 /nfs/dbraw/zinc/85/34/22/828853422.db2.gz RZKXVCKKKMNBGT-BYNSBNAKSA-N 2 0 254.418 1.964 10 0 CDAERP C(C[C@@H]1CCCOC1)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925720306 828859341 /nfs/dbraw/zinc/85/93/41/828859341.db2.gz GEJFSQODAKTQCS-GXYBRJDSSA-N 2 0 250.386 1.389 10 0 CDAERP COC(=O)c1cc(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)n(C)c1C ZINC000925765641 828867251 /nfs/dbraw/zinc/86/72/51/828867251.db2.gz FXSPDUZGSNQHQQ-UONOGXRCSA-N 2 0 291.395 1.480 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)CC2CC[NH2+]CC2)C1 ZINC000870994388 828877488 /nfs/dbraw/zinc/87/74/88/828877488.db2.gz QAYNPISEFHNDGG-MRXNPFEDSA-N 2 0 281.444 1.600 10 0 CDAERP C[NH+](C)[C@@]1(CN[C@@H]2CC[NH2+]C23CCCC3)CCSC1 ZINC000925531405 828878394 /nfs/dbraw/zinc/87/83/94/828878394.db2.gz PUHANUXYTVELKL-ZIAGYGMSSA-N 2 0 283.485 1.688 10 0 CDAERP [NH3+]CCCCCC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000825546727 833327794 /nfs/dbraw/zinc/32/77/94/833327794.db2.gz AALQCFDSTPYYLF-KGLIPLIRSA-N 2 0 267.417 1.496 10 0 CDAERP C[C@@H]1C[N@H+](CCC(=O)NCC2CCCCC2)CC[C@H]1C[NH3+] ZINC000923496982 828915496 /nfs/dbraw/zinc/91/54/96/828915496.db2.gz KTSMVGOQQKUWIK-ZBFHGGJFSA-N 2 0 295.471 1.990 10 0 CDAERP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)CC[NH2+]1 ZINC000723655171 833337949 /nfs/dbraw/zinc/33/79/49/833337949.db2.gz KLFDGEIRYKPSOD-XLWJZTARSA-N 2 0 252.402 1.922 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]CCCNC(=O)OC(C)(C)C)C1 ZINC000848923499 828958892 /nfs/dbraw/zinc/95/88/92/828958892.db2.gz LYTNBTCYVIUGPK-BETUJISGSA-N 2 0 285.432 1.831 10 0 CDAERP CC(C)C[N@H+](C)CCCN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925705262 829033390 /nfs/dbraw/zinc/03/33/90/829033390.db2.gz AREABFYKZUEBBF-KGLIPLIRSA-N 3 0 253.434 1.824 10 0 CDAERP CC(C)(CO)C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925616011 829037625 /nfs/dbraw/zinc/03/76/25/829037625.db2.gz JXEABLOGKVMAEU-UONOGXRCSA-N 2 0 254.418 1.763 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCCn2cccn2)C1 ZINC000925533327 833355903 /nfs/dbraw/zinc/35/59/03/833355903.db2.gz LNMQQFVEHNHFDH-QWHCGFSZSA-N 2 0 250.390 1.769 10 0 CDAERP CC(C)C1CC([NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1 ZINC000925849387 829073120 /nfs/dbraw/zinc/07/31/20/829073120.db2.gz ITLZYKIVJSZPHS-JXQTWKCFSA-N 2 0 280.412 1.696 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CC[NH+](C)[C@H](C(C)(C)C)C2)C1 ZINC000880614177 833364299 /nfs/dbraw/zinc/36/42/99/833364299.db2.gz RMFIZGKAUXWEMB-STQMWFEESA-N 2 0 267.417 1.127 10 0 CDAERP C[N@@H+]1CCN(CC[NH2+]CC2(O)CCCCC2)CC1(C)C ZINC000819286839 829134730 /nfs/dbraw/zinc/13/47/30/829134730.db2.gz LBPNFFPCCHUXRU-UHFFFAOYSA-N 2 0 283.460 1.297 10 0 CDAERP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)C(C)(C)CO ZINC000924967608 829149861 /nfs/dbraw/zinc/14/98/61/829149861.db2.gz ZKPRYUYUGBMRPL-CQSZACIVSA-N 2 0 271.449 1.011 10 0 CDAERP CC[N@H+](C)Cc1cccc(C[NH2+]C[C@H](O)C2CC2)c1 ZINC000818969752 829167876 /nfs/dbraw/zinc/16/78/76/829167876.db2.gz HTAOLNMACDTKFA-INIZCTEOSA-N 2 0 262.397 1.999 10 0 CDAERP Cc1cc([C@H]([NH3+])CC(=O)NCC(C)(C)[NH3+])cc(Cl)n1 ZINC000832801149 829356519 /nfs/dbraw/zinc/35/65/19/829356519.db2.gz UPMXIGWCHZADOW-SNVBAGLBSA-N 2 0 284.791 1.287 10 0 CDAERP COc1ccc(NC(=[NH2+])NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000849048338 829391371 /nfs/dbraw/zinc/39/13/71/829391371.db2.gz ABYRBVWSKHUZGF-BJHJDKERSA-N 2 0 276.384 1.972 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC1 ZINC000870911323 833402198 /nfs/dbraw/zinc/40/21/98/833402198.db2.gz UDLUAVXXIKJTIW-RYNCUQRTSA-N 2 0 279.428 1.350 10 0 CDAERP F[C@H](c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1)[C@@H]1CC[NH2+]C1 ZINC000871801877 829479954 /nfs/dbraw/zinc/47/99/54/829479954.db2.gz YXHDNECWWWVBQZ-MGMMNNENSA-N 2 0 280.347 1.688 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CCO[C@@H]2CCOC2)CC1(C)C ZINC000922933724 829507648 /nfs/dbraw/zinc/50/76/48/829507648.db2.gz FNMWIGBLUQPZID-CHWSQXEVSA-N 2 0 256.390 1.254 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)N2CCCC[C@@H]2C)CC[C@@H]1C[NH3+] ZINC000923503158 829602138 /nfs/dbraw/zinc/60/21/38/829602138.db2.gz HEOMWMNTRBDYFD-HZSPNIEDSA-N 2 0 267.417 1.304 10 0 CDAERP CCCCCC[N@H+](C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000831605478 829692796 /nfs/dbraw/zinc/69/27/96/829692796.db2.gz DTFNQNVLYREKLK-GASCZTMLSA-N 2 0 281.444 1.851 10 0 CDAERP CCCCCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](C)[C@@H]1C ZINC000928436753 829763707 /nfs/dbraw/zinc/76/37/07/829763707.db2.gz ADSZFUWQVRDWRI-KGLIPLIRSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724570843 829790444 /nfs/dbraw/zinc/79/04/44/829790444.db2.gz UROMLLQMKTYCSU-RQJABVFESA-N 2 0 256.390 1.096 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](O)c1ccc(Cl)cc1 ZINC000817898768 829819294 /nfs/dbraw/zinc/81/92/94/829819294.db2.gz JYECVHXKHVIGJP-ZIAGYGMSSA-N 2 0 286.803 1.717 10 0 CDAERP COC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)C1CCOCC1 ZINC000925706395 829852346 /nfs/dbraw/zinc/85/23/46/829852346.db2.gz MJBCFDFFCXDNMY-ILXRZTDVSA-N 2 0 284.444 1.924 10 0 CDAERP [NH3+]CC1(CC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925701814 829853198 /nfs/dbraw/zinc/85/31/98/829853198.db2.gz GCVLIOMLAXTKJY-CABCVRRESA-N 3 0 265.445 1.873 10 0 CDAERP C[N@H+](CCCCCC[NH3+])CCO[C@@H]1CC1(F)F ZINC000710803080 829886558 /nfs/dbraw/zinc/88/65/58/829886558.db2.gz DOYYHFMRPKYRAV-LLVKDONJSA-N 2 0 250.333 1.862 10 0 CDAERP C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000716630955 829992015 /nfs/dbraw/zinc/99/20/15/829992015.db2.gz ATXVWUZIFINLON-QFCKPIOYSA-N 2 0 252.402 1.323 10 0 CDAERP CCN1C[C@@H](C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)OC1=O ZINC000846797393 830029555 /nfs/dbraw/zinc/02/95/55/830029555.db2.gz STQGDXLBWMEHFU-OAHLLOKOSA-N 2 0 297.443 1.879 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](C[C@H](O)CC(F)(F)F)C1 ZINC000923415432 830038875 /nfs/dbraw/zinc/03/88/75/830038875.db2.gz PRYPGWWHBKSUFZ-PWSUYJOCSA-N 2 0 282.350 1.997 10 0 CDAERP CC(C)(C[NH3+])C1CC[NH+](CCOC2CCOCC2)CC1 ZINC000714414393 830040723 /nfs/dbraw/zinc/04/07/23/830040723.db2.gz TYLHKLQLSMOHBJ-UHFFFAOYSA-N 2 0 284.444 1.879 10 0 CDAERP O=C(CC[NH2+]CC1CC1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000870853363 830057430 /nfs/dbraw/zinc/05/74/30/830057430.db2.gz ZADHPASKXJJBFC-GJZGRUSLSA-N 2 0 279.428 1.367 10 0 CDAERP COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925644614 830150292 /nfs/dbraw/zinc/15/02/92/830150292.db2.gz NWZARGGTCMZXIN-IGQOVBAYSA-N 2 0 295.427 1.713 10 0 CDAERP C[C@@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)C1CC[NH+](C)CC1 ZINC000926942007 830164433 /nfs/dbraw/zinc/16/44/33/830164433.db2.gz LFKPIZNPORRAEU-BVUBDWEXSA-N 2 0 264.413 1.897 10 0 CDAERP Cc1cn(C)nc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000723972039 830177254 /nfs/dbraw/zinc/17/72/54/830177254.db2.gz WHORTFVAEDSAOO-AWEZNQCLSA-N 2 0 262.401 1.693 10 0 CDAERP C[C@H](CNC(=O)C1CCC([NH3+])CC1)[NH+]1CCCCC1 ZINC000038029549 830196279 /nfs/dbraw/zinc/19/62/79/830196279.db2.gz TXBUYHRVIWKKQX-IYXRBSQSSA-N 2 0 267.417 1.495 10 0 CDAERP O=C1NCCC12CC[NH+](Cc1ccc3c(c1)C[NH2+]CC3)CC2 ZINC000872146796 830213236 /nfs/dbraw/zinc/21/32/36/830213236.db2.gz XMWAQASIJHSANI-UHFFFAOYSA-N 2 0 299.418 1.434 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)NC2CCC(C)CC2)C[C@H]1CC[NH3+] ZINC000723886926 830252453 /nfs/dbraw/zinc/25/24/53/830252453.db2.gz OJAPGBAJIAZAQS-PIOWNMBXSA-N 2 0 281.444 1.598 10 0 CDAERP Cn1ncc(CCC[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)n1 ZINC000925678793 830267651 /nfs/dbraw/zinc/26/76/51/830267651.db2.gz XDUAQSHFCPOTKE-YPMHNXCESA-N 2 0 265.405 1.243 10 0 CDAERP CO[C@@H]1CC[C@@H](C)[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000866685019 830290652 /nfs/dbraw/zinc/29/06/52/830290652.db2.gz AERKNLJYFXEESZ-SIXLDLHFSA-N 2 0 292.423 1.417 10 0 CDAERP C[C@@H]1C[N@@H+]([C@H]2CCN(C3CCC3)C2=O)CC[C@@H]1C[NH3+] ZINC000923491565 830299439 /nfs/dbraw/zinc/29/94/39/830299439.db2.gz TUKRFSALACOAGH-BZPMIXESSA-N 2 0 265.401 1.057 10 0 CDAERP CC[N@H+](C)C[C@H]1CCN(C[C@](O)(CC)C(F)(F)F)C1 ZINC000929788662 830302855 /nfs/dbraw/zinc/30/28/55/830302855.db2.gz ASJJGTYJFHOMML-VXGBXAGGSA-N 2 0 282.350 1.963 10 0 CDAERP COCC[N@H+](CCF)CCCCn1ccnc1C ZINC000852482836 830305039 /nfs/dbraw/zinc/30/50/39/830305039.db2.gz QLQWGDQPMDVOOC-UHFFFAOYSA-N 2 0 257.353 1.890 10 0 CDAERP O[C@H](CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1)CC(F)(F)F ZINC000307938981 830309091 /nfs/dbraw/zinc/30/90/91/830309091.db2.gz KUULGRGKKSSCCG-SDDRHHMPSA-N 2 0 280.334 1.764 10 0 CDAERP CCN(C(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1)c1ccccc1 ZINC000923505811 830333640 /nfs/dbraw/zinc/33/36/40/830333640.db2.gz CHHYXSALDCCTPN-GJZGRUSLSA-N 2 0 289.423 1.956 10 0 CDAERP CCN(CCC[NH+](CC)CC)C(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000925335819 830358706 /nfs/dbraw/zinc/35/87/06/830358706.db2.gz YMEKTVJHWXAOGP-GJZGRUSLSA-N 2 0 298.475 1.842 10 0 CDAERP C[C@@H](CN1CC[C@@](C[NH3+])(C(C)(C)C)C1)CS(C)(=O)=O ZINC000866706674 830420920 /nfs/dbraw/zinc/42/09/20/830420920.db2.gz PYHOUBMFALMUPJ-JSGCOSHPSA-N 2 0 290.473 1.364 10 0 CDAERP CCOC(=O)CC(C)(C)C[NH2+]CCn1ccnc1C ZINC000838921148 830427296 /nfs/dbraw/zinc/42/72/96/830427296.db2.gz KOLRQZLRHAOTJR-UHFFFAOYSA-N 2 0 267.373 1.761 10 0 CDAERP CC1(C)C[C@H](C[NH2+]C[C@H](O)C[NH+]2CCCC2)C(C)(C)O1 ZINC000709748220 830433275 /nfs/dbraw/zinc/43/32/75/830433275.db2.gz BWXLNVJGROLMTG-KGLIPLIRSA-N 2 0 284.444 1.626 10 0 CDAERP CC(C)OCC[C@H](O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000923413078 830555335 /nfs/dbraw/zinc/55/53/35/830555335.db2.gz BFKZPULSVQJCLC-QLFBSQMISA-N 2 0 270.417 1.236 10 0 CDAERP C[N@H+](CCCCCC[NH3+])Cc1cc2n(n1)CCC2 ZINC000872155382 830596136 /nfs/dbraw/zinc/59/61/36/830596136.db2.gz MBFDMVCPKLVDAW-UHFFFAOYSA-N 2 0 250.390 1.780 10 0 CDAERP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923500956 830601765 /nfs/dbraw/zinc/60/17/65/830601765.db2.gz SMMINXORKFLFOW-AVGNSLFASA-N 2 0 269.433 1.596 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713276498 830603291 /nfs/dbraw/zinc/60/32/91/830603291.db2.gz LHNUPDQRXXJUNL-SSZWKKLZSA-N 2 0 277.412 1.199 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872278050 830703057 /nfs/dbraw/zinc/70/30/57/830703057.db2.gz FDTOEMPZZMFBKZ-ZNMIVQPWSA-N 2 0 281.444 1.885 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CC1([C@H](O)c2ccccc2)CC1 ZINC000817916198 830749002 /nfs/dbraw/zinc/74/90/02/830749002.db2.gz BMBBZYPWFLJOSE-HZPDHXFCSA-N 2 0 292.423 1.844 10 0 CDAERP Fc1cccc([C@@H]2CC[N@@H+]2C[C@@H]2CC3(C[NH2+]C3)CO2)c1 ZINC000923316013 830768186 /nfs/dbraw/zinc/76/81/86/830768186.db2.gz CLXKTNSXRKBAQO-GJZGRUSLSA-N 2 0 276.355 1.951 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000925682876 832074740 /nfs/dbraw/zinc/07/47/40/832074740.db2.gz GZFYNEPVMTVVFG-YSEJDXQZSA-N 2 0 280.412 1.254 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCCC2(C[NH3+])CC2)C1 ZINC000846150371 832086614 /nfs/dbraw/zinc/08/66/14/832086614.db2.gz ZWUBPTFMOGUXQY-CHWSQXEVSA-N 2 0 282.432 1.287 10 0 CDAERP O=C1CCCN1CCC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925515106 832208875 /nfs/dbraw/zinc/20/88/75/832208875.db2.gz PJPFIXQWLGDIOW-JKSUJKDBSA-N 2 0 293.455 1.757 10 0 CDAERP C[C@H]1CN(C(=[NH2+])NCC2([NH+](C)C)CCCCC2)CCO1 ZINC000848981196 833817398 /nfs/dbraw/zinc/81/73/98/833817398.db2.gz ZTRMNKPPLSFOMJ-ZDUSSCGKSA-N 2 0 282.432 1.496 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cnc(Cl)n1C ZINC000848540291 833818190 /nfs/dbraw/zinc/81/81/90/833818190.db2.gz NMWNMXMJUXLSJP-GFCCVEGCSA-N 2 0 288.823 1.520 10 0 CDAERP COC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)[C@@H]1CCCO1 ZINC000925653782 832365164 /nfs/dbraw/zinc/36/51/64/832365164.db2.gz OAQODPZZPKQRFV-WUHRBBMRSA-N 2 0 254.374 1.040 10 0 CDAERP C([C@@H]1CCCOC1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000111322117 832387490 /nfs/dbraw/zinc/38/74/90/832387490.db2.gz HSLIRACUONWBFF-KKUMJFAQSA-N 2 0 252.402 1.877 10 0 CDAERP O[C@H](CC1CCCC1)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516212 832499511 /nfs/dbraw/zinc/49/95/11/832499511.db2.gz VDXIYCFYUCHXNZ-RRFJBIMHSA-N 2 0 252.402 1.469 10 0 CDAERP COC(=O)N(C)CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000850390329 833895291 /nfs/dbraw/zinc/89/52/91/833895291.db2.gz FNJMIZFYMKNOHE-UHFFFAOYSA-N 2 0 289.339 1.055 10 0 CDAERP C[C@@H](O)C[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1CCCCC1 ZINC000923313365 832634826 /nfs/dbraw/zinc/63/48/26/832634826.db2.gz XKAJAWLEOOVIOW-HIFRSBDPSA-N 2 0 282.428 1.380 10 0 CDAERP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000925882382 832669107 /nfs/dbraw/zinc/66/91/07/832669107.db2.gz OPWTVXHTLGNHEH-GOKJJUPASA-N 3 0 297.446 1.632 10 0 CDAERP COCC(C)(C)CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000718697364 832677584 /nfs/dbraw/zinc/67/75/84/832677584.db2.gz WIGAPRZUSBYKDA-QSLWVIQJSA-N 2 0 252.402 1.635 10 0 CDAERP CC1(C)CC[C@H](C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)OC1 ZINC000713596808 832684943 /nfs/dbraw/zinc/68/49/43/832684943.db2.gz OYFGFFIKNHMQIW-BFHYXJOUSA-N 2 0 252.402 1.875 10 0 CDAERP CCN(CC)C(=O)[C@@H](C)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000931307841 833932137 /nfs/dbraw/zinc/93/21/37/833932137.db2.gz MFSJIDQNRVBFRI-BMFZPTHFSA-N 2 0 281.444 1.517 10 0 CDAERP C[C@@H]1C[C@H]([NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCO1 ZINC000925627845 832838292 /nfs/dbraw/zinc/83/82/92/832838292.db2.gz AEKYCPVXEMFXRK-POQQGIQPSA-N 2 0 252.402 1.920 10 0 CDAERP C[NH+](C)C[C@@]1(O)CCCN(CCc2ccns2)C1 ZINC000930904017 832842764 /nfs/dbraw/zinc/84/27/64/832842764.db2.gz PVQQABWMFYYJQJ-ZDUSSCGKSA-N 2 0 269.414 1.074 10 0 CDAERP CCO[C@@H]1C[N@H+](C[C@H](O)CCC(C)C)C[C@H]1C[NH3+] ZINC000923386923 832845098 /nfs/dbraw/zinc/84/50/98/832845098.db2.gz LCNYNMOMYVZYFF-MGPQQGTHSA-N 2 0 258.406 1.079 10 0 CDAERP CO[C@H]1C[C@@H](C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)C1 ZINC000872144718 832845220 /nfs/dbraw/zinc/84/52/20/832845220.db2.gz FYDBWQWQXYPRJS-OAGGEKHMSA-N 2 0 282.428 1.502 10 0 CDAERP C([C@@H]1CC2(CCC2)CO1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515684 832845911 /nfs/dbraw/zinc/84/59/11/832845911.db2.gz KBZKIFPSYBITNY-MJBXVCDLSA-N 2 0 250.386 1.487 10 0 CDAERP C[C@@H]1C[N@H+](C[C@H](O)CCc2ccccc2)CC[C@@H]1C[NH3+] ZINC000923492330 832856110 /nfs/dbraw/zinc/85/61/10/832856110.db2.gz MXUHURFZCFEUIV-DJIMGWMZSA-N 2 0 276.424 1.897 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)N(C)CC(C)(C)[NH3+])cc1 ZINC000659526706 832870787 /nfs/dbraw/zinc/87/07/87/832870787.db2.gz QWJDDFQLVMCHLA-NSHDSACASA-N 2 0 278.400 1.585 10 0 CDAERP [NH2+]=C(NC[C@H]1CC[N@@H+](C2CC2)C1)NC1CCCCC1 ZINC000052047346 832907856 /nfs/dbraw/zinc/90/78/56/832907856.db2.gz PAFYOGDJEBNLKE-GFCCVEGCSA-N 2 0 264.417 1.917 10 0 CDAERP CN1CCOC[C@@H]1C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925718039 832966902 /nfs/dbraw/zinc/96/69/02/832966902.db2.gz MSIJLVAOEXZRNM-JKSUJKDBSA-N 2 0 277.412 1.387 10 0 CDAERP Cc1ccc(NCC[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)nc1 ZINC000925877808 833545040 /nfs/dbraw/zinc/54/50/40/833545040.db2.gz MEUGGXWZQCYYIB-OLZOCXBDSA-N 2 0 260.385 1.661 10 0 CDAERP COC(CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)OC ZINC000851785791 833801110 /nfs/dbraw/zinc/80/11/10/833801110.db2.gz SOHFVETYQPXIOX-AWEZNQCLSA-N 2 0 270.417 1.803 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000852857730 833841518 /nfs/dbraw/zinc/84/15/18/833841518.db2.gz DEGHFBPVJCBGMN-UHFFFAOYSA-N 2 0 291.439 1.819 10 0 CDAERP C[C@H]1C[C@@H]1NC(=[NH2+])NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000864465491 833853332 /nfs/dbraw/zinc/85/33/32/833853332.db2.gz YFVTUHGSXNUCRK-XQQFMLRXSA-N 2 0 268.405 1.010 10 0 CDAERP C[C@H](C[NH2+][C@H](C1CC1)C1CCOCC1)C[NH+](C)C ZINC000926474093 833870061 /nfs/dbraw/zinc/87/00/61/833870061.db2.gz ODAXIFKOZPKLKJ-IUODEOHRSA-N 2 0 254.418 1.979 10 0 CDAERP C[NH2+]CCC1CCN(C(=O)CCC23CC(C2)C[NH2+]3)CC1 ZINC000870939283 834059013 /nfs/dbraw/zinc/05/90/13/834059013.db2.gz PBCQQJZSCBKRPF-UHFFFAOYSA-N 2 0 279.428 1.367 10 0 CDAERP Nc1cc[nH+]c2c1CN(CC[NH+]1CCCCC1)CC2 ZINC000931512459 834081232 /nfs/dbraw/zinc/08/12/32/834081232.db2.gz ZRETZUMAPSRGIB-UHFFFAOYSA-N 2 0 260.385 1.508 10 0 CDAERP C[NH+](C)CC[C@H](NCC1(C)COC1)c1cccnc1 ZINC000922627009 834129369 /nfs/dbraw/zinc/12/93/69/834129369.db2.gz FCPAZSKJAIFIGB-AWEZNQCLSA-N 2 0 263.385 1.701 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000713007859 834134163 /nfs/dbraw/zinc/13/41/63/834134163.db2.gz IBYLZLRYAISVIY-AWEZNQCLSA-N 2 0 283.460 1.987 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000817906992 834173560 /nfs/dbraw/zinc/17/35/60/834173560.db2.gz KMVPZDDLIVLJLC-TUAOUCFPSA-N 2 0 299.440 1.835 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000722396583 834271623 /nfs/dbraw/zinc/27/16/23/834271623.db2.gz ROYRMEJHEUFLTA-GARJFASQSA-N 2 0 284.322 1.440 10 0 CDAERP CN1CCC[C@@H]([NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)C1=O ZINC000923506743 834295073 /nfs/dbraw/zinc/29/50/73/834295073.db2.gz LSLGUQXSASOIJE-GDBMZVCRSA-N 2 0 293.455 1.709 10 0 CDAERP C[C@@H]1OC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)[C@@H]1C ZINC000925558514 834302481 /nfs/dbraw/zinc/30/24/81/834302481.db2.gz GCYVOKWXQNHRAY-PNDGYWDASA-N 2 0 296.455 1.767 10 0 CDAERP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870921249 834310434 /nfs/dbraw/zinc/31/04/34/834310434.db2.gz OVPHYISBRZILQX-AEIGPULVSA-N 2 0 279.428 1.303 10 0 CDAERP C[N@@H+]1CC[C@@H]2CN(CC(=O)NC3CCCCC3)C[C@@H]2C1 ZINC000931432754 834344431 /nfs/dbraw/zinc/34/44/31/834344431.db2.gz CFWGDKBARBOMIM-KGLIPLIRSA-N 2 0 279.428 1.319 10 0 CDAERP C[NH+](C)C1(C)CCN(C(=O)[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000864081603 834403954 /nfs/dbraw/zinc/40/39/54/834403954.db2.gz JTKBXUZKQVSMQN-CYBMUJFWSA-N 2 0 281.444 1.802 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCc1nc([C@@H]2CCCO2)n[nH]1 ZINC000926659132 834550717 /nfs/dbraw/zinc/55/07/17/834550717.db2.gz GEVKVWDIRMCLPS-JACPFSORSA-N 2 0 291.399 1.086 10 0 CDAERP Cc1c(Cl)ccc2c1C[N@H+](CCN1CC[NH2+]CC1)CC2 ZINC000866723324 834594161 /nfs/dbraw/zinc/59/41/61/834594161.db2.gz GRGYKSATBROAEF-UHFFFAOYSA-N 2 0 293.842 1.912 10 0 CDAERP C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)[C@@H]1CCCOC1 ZINC000925845603 834601994 /nfs/dbraw/zinc/60/19/94/834601994.db2.gz MJTQQYOJBKZNCL-KBUPBQIOSA-N 2 0 252.402 1.923 10 0 CDAERP Cc1nccnc1CC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925677696 834614070 /nfs/dbraw/zinc/61/40/70/834614070.db2.gz ZGZQVUMGUKSXOZ-SNPRPXQTSA-N 2 0 274.412 1.694 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000924969307 834619124 /nfs/dbraw/zinc/61/91/24/834619124.db2.gz JCGDSRITTDRFEX-TVXGVJEUSA-N 2 0 274.408 1.520 10 0 CDAERP C([C@@H]1CCCCO1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931288325 834674121 /nfs/dbraw/zinc/67/41/21/834674121.db2.gz JPFREIPARUUFCK-INIZCTEOSA-N 2 0 282.428 1.742 10 0 CDAERP C[C@@H]1C[NH+](CCN2CCC(C)([NH+](C)C)CC2)C[C@@H](C)O1 ZINC000931354983 834731402 /nfs/dbraw/zinc/73/14/02/834731402.db2.gz NAEDZCCTEYCUAK-HUUCEWRRSA-N 2 0 283.460 1.512 10 0 CDAERP CC1(C)C[C@@H]([NH2+]CCCn2cccn2)C[C@@H]([NH3+])C1 ZINC000925533326 834817378 /nfs/dbraw/zinc/81/73/78/834817378.db2.gz LNMQQFVEHNHFDH-OLZOCXBDSA-N 2 0 250.390 1.769 10 0 CDAERP CCCCCC(C)(C)C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000819148413 834843085 /nfs/dbraw/zinc/84/30/85/834843085.db2.gz WNAHCNYJVAZMFI-INIZCTEOSA-N 2 0 299.503 1.791 10 0 CDAERP C[C@@H]1[C@H](NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1C ZINC000928440374 834853854 /nfs/dbraw/zinc/85/38/54/834853854.db2.gz KUXDYZYNFMDDGN-BMFZPTHFSA-N 2 0 289.423 1.888 10 0 CDAERP CC[NH+]1CCN(c2ccc(C[NH2+]CC(C)C)cn2)CC1 ZINC000048068516 834893320 /nfs/dbraw/zinc/89/33/20/834893320.db2.gz ZSFMNZLHGICACV-UHFFFAOYSA-N 2 0 276.428 1.969 10 0 CDAERP C[N@@H+]1CC[C@@H]2CN(C[C@@H](O)CCC3(O)CCC3)CC[C@H]21 ZINC000931548749 834976656 /nfs/dbraw/zinc/97/66/56/834976656.db2.gz ZPFNFQNHQFRIEQ-QLFBSQMISA-N 2 0 282.428 1.069 10 0 CDAERP CC(C)OC[C@H](O)C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000710355988 835021283 /nfs/dbraw/zinc/02/12/83/835021283.db2.gz WUAUJFXVGUQNSS-HZPDHXFCSA-N 2 0 284.444 1.484 10 0 CDAERP Cc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c(C)nn1 ZINC000720607350 835092991 /nfs/dbraw/zinc/09/29/91/835092991.db2.gz QVHGLVMSJBCXFV-WBIUFABUSA-N 2 0 262.401 1.899 10 0 CDAERP C[NH2+]C[C@@H](C)C(=O)N1c2ccccc2[C@H]([NH3+])C1(C)C ZINC000867988401 835097178 /nfs/dbraw/zinc/09/71/78/835097178.db2.gz LGTCZWZTVDWFLY-MFKMUULPSA-N 2 0 261.369 1.667 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](CCn2cccn2)C1 ZINC000866707655 835176981 /nfs/dbraw/zinc/17/69/81/835176981.db2.gz VMBVBEYARWIFEK-CQSZACIVSA-N 2 0 250.390 1.580 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@H](N3CCCCC3)C2)C1 ZINC000228225893 835221509 /nfs/dbraw/zinc/22/15/09/835221509.db2.gz WHSRBMJMYOPQMY-ZNMIVQPWSA-N 2 0 251.418 1.674 10 0 CDAERP CC(C)C[C@@H](C)C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866712018 835255061 /nfs/dbraw/zinc/25/50/61/835255061.db2.gz PTLHPKULIASLJS-TUVASFSCSA-N 2 0 295.427 1.536 10 0 CDAERP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C(C)(C)CO ZINC000925556510 835265535 /nfs/dbraw/zinc/26/55/35/835265535.db2.gz LMTNCTPOVSXVRU-AEGPPILISA-N 2 0 284.444 1.361 10 0 CDAERP C[NH+]1CCN(CCC[NH2+][C@H](C2CCC2)[C@@H]2CCCO2)CC1 ZINC000866219556 835345923 /nfs/dbraw/zinc/34/59/23/835345923.db2.gz RYZNPLFGXFTXKZ-DLBZAZTESA-N 2 0 295.471 1.561 10 0 CDAERP COC1CC(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000703817460 835358010 /nfs/dbraw/zinc/35/80/10/835358010.db2.gz GCIPDLXFWOHTQV-PESDSKBTSA-N 2 0 252.402 1.875 10 0 CDAERP C[C@H]([NH2+]CCOCC[NH+](C)C)c1cc(O)cc(F)c1 ZINC000926254262 835366405 /nfs/dbraw/zinc/36/64/05/835366405.db2.gz IRAHZVILESKKAQ-NSHDSACASA-N 2 0 270.348 1.760 10 0 CDAERP C[NH+](C)CCCC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925521597 835453059 /nfs/dbraw/zinc/45/30/59/835453059.db2.gz ONYBFTUFVZJBTN-IHRRRGAJSA-N 3 0 253.434 1.694 10 0 CDAERP CNC(=O)NC[C@H]1CCCC[N@@H+]1CCCCCC[NH3+] ZINC000866685100 835534468 /nfs/dbraw/zinc/53/44/68/835534468.db2.gz BTWPYDJBRWHUIA-CYBMUJFWSA-N 2 0 270.421 1.289 10 0 CDAERP C1CCC([C@H]2C[NH2+]CC[C@@H]2[NH2+][C@H]2CCCOC2)C1 ZINC000925671313 835552011 /nfs/dbraw/zinc/55/20/11/835552011.db2.gz BZFRCKLNXWHIMT-ZNMIVQPWSA-N 2 0 252.402 1.923 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711350111 835597325 /nfs/dbraw/zinc/59/73/25/835597325.db2.gz VCGKTNSVZMJZET-CHWSQXEVSA-N 2 0 269.433 1.325 10 0 CDAERP C[N@H+](CCC[NH2+]C[C@@H](O)C1CC1)Cc1ccccc1 ZINC000818943711 835612451 /nfs/dbraw/zinc/61/24/51/835612451.db2.gz YJTAPMAKOIBUIP-MRXNPFEDSA-N 2 0 262.397 1.869 10 0 CDAERP C[C@@H]1C[N@H+](CCCS(=O)(=O)C(C)(C)C)C[C@H]1CC[NH3+] ZINC000723893811 835614002 /nfs/dbraw/zinc/61/40/02/835614002.db2.gz FFONNCCDSOQTOW-CHWSQXEVSA-N 2 0 290.473 1.507 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)OCC(F)(F)F ZINC000849424439 835619375 /nfs/dbraw/zinc/61/93/75/835619375.db2.gz ZLJZNSLIJZPGHJ-JTQLQIEISA-N 2 0 299.337 1.547 10 0 CDAERP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715145346 835630954 /nfs/dbraw/zinc/63/09/54/835630954.db2.gz ZUAPBEAOSSIXOI-WOPDTQHZSA-N 2 0 291.386 1.453 10 0 CDAERP [NH3+]CCCCCC(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000843513704 835633767 /nfs/dbraw/zinc/63/37/67/835633767.db2.gz AIHFNYSFMHTCNH-LBPRGKRZSA-N 2 0 253.390 1.296 10 0 CDAERP C[C@@H]1CC[N@H+](CCNC(=[NH2+])NCCc2cccs2)C1 ZINC000849004181 835640826 /nfs/dbraw/zinc/64/08/26/835640826.db2.gz DVKTUVLOOVCYPI-GFCCVEGCSA-N 2 0 280.441 1.746 10 0 CDAERP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C=C2CC[NH2+]CC2)C1 ZINC000852884129 835670670 /nfs/dbraw/zinc/67/06/70/835670670.db2.gz FNBJZAZDUFXGSM-CABCVRRESA-N 2 0 277.412 1.239 10 0 CDAERP OCCC1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H]1CC[NH2+]C1 ZINC000866727089 835728912 /nfs/dbraw/zinc/72/89/12/835728912.db2.gz FLTVSTZGCZFPMM-FFHGMXDLSA-N 2 0 252.402 1.611 10 0 CDAERP COC(=O)N1CCC[C@H]([NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000925563391 835749282 /nfs/dbraw/zinc/74/92/82/835749282.db2.gz BPWAZNTYGHBKCR-CRWXNKLISA-N 2 0 295.427 1.583 10 0 CDAERP CN(CC[N@H+](C)CC1=CCCCC1)C(=O)[C@H]1CCC[NH+]1C ZINC001496759403 1167768739 /nfs/dbraw/zinc/76/87/39/1167768739.db2.gz ZSEPGKSETSHQQG-MRXNPFEDSA-N 2 0 293.455 1.971 10 0 CDAERP CC(C)=CC[N@H+](C)CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001566508825 1167969719 /nfs/dbraw/zinc/96/97/19/1167969719.db2.gz QTMJGPKACXJQGT-HNNXBMFYSA-N 2 0 281.444 1.733 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001565851917 1168184578 /nfs/dbraw/zinc/18/45/78/1168184578.db2.gz SDYUBTNQTOBIJR-SOUVJXGZSA-N 2 0 281.444 1.613 10 0 CDAERP CC1CC(C[N@H+](C)CCCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001566516286 1168318301 /nfs/dbraw/zinc/31/83/01/1168318301.db2.gz GFNURMYTHHYLIO-NRXISQOPSA-N 2 0 281.444 1.422 10 0 CDAERP CCC[N@H+](CC)CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001566570758 1168339140 /nfs/dbraw/zinc/33/91/40/1168339140.db2.gz QIBATDVPHBZEGP-UHFFFAOYSA-N 2 0 283.460 1.957 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NCCC[NH+](CC2CC2)C2CC2)C1 ZINC001566600623 1168352470 /nfs/dbraw/zinc/35/24/70/1168352470.db2.gz GXIHULHONQZXFJ-OAHLLOKOSA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001567017196 1168512235 /nfs/dbraw/zinc/51/22/35/1168512235.db2.gz VTJDMKNHPWUHRP-STQMWFEESA-N 2 0 255.406 1.362 10 0 CDAERP CC(C)[NH+](C)CC(=O)NCCC[C@@H]1CCC[N@H+]1C[C@@H](C)O ZINC001567266252 1168643217 /nfs/dbraw/zinc/64/32/17/1168643217.db2.gz HHSPILKKTDNMFS-HUUCEWRRSA-N 2 0 299.459 1.068 10 0 CDAERP C[C@@H](F)CC[NH2+]CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001266702231 895863798 /nfs/dbraw/zinc/86/37/98/895863798.db2.gz UJOQIWPRCVAZTH-OCCSQVGLSA-N 2 0 285.407 1.124 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCCCCF ZINC001266927976 896368454 /nfs/dbraw/zinc/36/84/54/896368454.db2.gz OEDMYJFZFCYYHL-CHWSQXEVSA-N 2 0 273.396 1.315 10 0 CDAERP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC1CCC1 ZINC001266985078 896498382 /nfs/dbraw/zinc/49/83/82/896498382.db2.gz GNFUTEREQWDAND-TZMCWYRMSA-N 2 0 267.417 1.223 10 0 CDAERP CC[C@H](C(=O)N(C)CC[NH2+]C[C@H]1CC(C)(C)CO1)[NH+](C)C ZINC001266989185 896507545 /nfs/dbraw/zinc/50/75/45/896507545.db2.gz VEPIVYOTSVXEQQ-ZIAGYGMSSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001267046957 896629132 /nfs/dbraw/zinc/62/91/32/896629132.db2.gz IKGIDLBDPCAMGX-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NCCC[C@@H]2CCC[NH+]2CCF)C1 ZINC001267175035 897011410 /nfs/dbraw/zinc/01/14/10/897011410.db2.gz OCBJNPNDCLDIKP-LSDHHAIUSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)CC[N@H+](C)CCNC(=O)C[NH+](C)C(C)C ZINC001267233339 897249271 /nfs/dbraw/zinc/24/92/71/897249271.db2.gz SADARZYHULNSCO-UHFFFAOYSA-N 2 0 257.422 1.421 10 0 CDAERP C[C@H](F)CC[N@@H+]1CCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001481042289 898664061 /nfs/dbraw/zinc/66/40/61/898664061.db2.gz FPOWCCNKUVAULV-KBPBESRZSA-N 2 0 299.434 1.799 10 0 CDAERP CCC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)C[C@@H](C)CC ZINC001481151544 898982630 /nfs/dbraw/zinc/98/26/30/898982630.db2.gz JQHTYGUQONVWBN-HNNXBMFYSA-N 2 0 295.471 1.957 10 0 CDAERP CCC(CC)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001481216348 899404384 /nfs/dbraw/zinc/40/43/84/899404384.db2.gz YMMRGLWZWRQKSD-CQSZACIVSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@H]1CC[C@H](C[NH2+]CCN(C)C(=O)C2([NH+](C)C)CCC2)O1 ZINC001481239245 899568990 /nfs/dbraw/zinc/56/89/90/899568990.db2.gz NCNDUSWPHZBBRX-UONOGXRCSA-N 2 0 297.443 1.086 10 0 CDAERP Cc1ncc(C[NH2+]CCN(C)C(=O)[C@H]2CCCC[N@@H+]2C)o1 ZINC001481247292 899640351 /nfs/dbraw/zinc/64/03/51/899640351.db2.gz MZXSIUKCXDERFG-CQSZACIVSA-N 2 0 294.399 1.015 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]CCC(F)(F)F ZINC001268013805 900295234 /nfs/dbraw/zinc/29/52/34/900295234.db2.gz FKUFLSXLPBLTHW-MNOVXSKESA-N 2 0 295.349 1.232 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CCNC(=O)CCCC[NH+](C)C)C1 ZINC001481459984 900751877 /nfs/dbraw/zinc/75/18/77/900751877.db2.gz SZQYECKWCHAHPS-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)C[N@H+](C)C[C@@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001481505859 900959643 /nfs/dbraw/zinc/95/96/43/900959643.db2.gz WSJYTCHZOBQRIM-HOTGVXAUSA-N 2 0 295.471 1.765 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCF ZINC001268098210 901280290 /nfs/dbraw/zinc/28/02/90/901280290.db2.gz OESKCKMVXBRBMD-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP C[C@H](CC[NH2+]Cc1cccnc1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001268346984 901907896 /nfs/dbraw/zinc/90/78/96/901907896.db2.gz APLDXNPZECKAEQ-HIFRSBDPSA-N 2 0 290.411 1.160 10 0 CDAERP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(F)cn1 ZINC001481848927 902211019 /nfs/dbraw/zinc/21/10/19/902211019.db2.gz GLKNWJSYXTXBIC-ZDUSSCGKSA-N 2 0 296.390 1.157 10 0 CDAERP CC(C)[C@H](C(=O)NC/C=C\C[NH2+]C/C=C\Cl)[NH+](C)C ZINC001268586926 902689072 /nfs/dbraw/zinc/68/90/72/902689072.db2.gz GOALPPNBCQIWFL-LYPHPIFKSA-N 2 0 287.835 1.587 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CCCF)CCC1 ZINC001272272177 903551507 /nfs/dbraw/zinc/55/15/07/903551507.db2.gz QAIKLVUJXKRYJJ-ZIAGYGMSSA-N 2 0 299.434 1.705 10 0 CDAERP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[NH2+]C(C)C ZINC001269401618 903782142 /nfs/dbraw/zinc/78/21/42/903782142.db2.gz CDWNXELBDXIGLP-UONOGXRCSA-N 2 0 269.433 1.752 10 0 CDAERP CC[C@H](C(=O)N[C@H](C[NH2+]CCF)C1CCCC1)[NH+](C)C ZINC001270415591 904622021 /nfs/dbraw/zinc/62/20/21/904622021.db2.gz VEGGWPFRUNOJTD-ZIAGYGMSSA-N 2 0 287.423 1.561 10 0 CDAERP CC(C)=CC[NH+]1CC[C@@](C)(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001270625584 904838635 /nfs/dbraw/zinc/83/86/35/904838635.db2.gz YPAZALCYIOHRGP-NVXWUHKLSA-N 2 0 293.455 1.875 10 0 CDAERP CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001482446188 905476820 /nfs/dbraw/zinc/47/68/20/905476820.db2.gz QNBLJMURMRHBJO-KGLIPLIRSA-N 2 0 267.417 1.461 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001271014708 905553417 /nfs/dbraw/zinc/55/34/17/905553417.db2.gz ZSDODISYRLFDCJ-ZIAGYGMSSA-N 2 0 269.433 1.563 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@@H](C[NH2+]CCF)C1CCCCC1 ZINC001271353384 906262506 /nfs/dbraw/zinc/26/25/06/906262506.db2.gz DRWFVDPVPGFXDT-HNNXBMFYSA-N 2 0 299.434 1.706 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCCF)[C@H](C)C1 ZINC001271459413 906463869 /nfs/dbraw/zinc/46/38/69/906463869.db2.gz SEQMTYPKSOALBC-KGLIPLIRSA-N 2 0 287.423 1.513 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCCF)[C@@H](C)C1 ZINC001271459411 906464655 /nfs/dbraw/zinc/46/46/55/906464655.db2.gz SEQMTYPKSOALBC-KBPBESRZSA-N 2 0 287.423 1.513 10 0 CDAERP C[C@@H](CC[NH2+]CCCF)NC(=O)C12CCC[NH+]1CCC2 ZINC001482852521 908427550 /nfs/dbraw/zinc/42/75/50/908427550.db2.gz WTFZOZNJIDDAHJ-ZDUSSCGKSA-N 2 0 285.407 1.459 10 0 CDAERP CCC[NH2+]CC[C@@H](C)NC(=O)Cn1cncc1C ZINC001482854204 908431262 /nfs/dbraw/zinc/43/12/62/908431262.db2.gz YTGFFNPQCSKIFM-LLVKDONJSA-N 2 0 252.362 1.086 10 0 CDAERP CC[NH2+]CC[C@@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001482875599 908452604 /nfs/dbraw/zinc/45/26/04/908452604.db2.gz WFPPGFDAXYTNQE-CQSZACIVSA-N 2 0 291.439 1.909 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC1CC1 ZINC001567958212 1169093730 /nfs/dbraw/zinc/09/37/30/1169093730.db2.gz KCEJPFHZVBSYNC-MRVWCRGKSA-N 2 0 267.417 1.221 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)[NH2+]C(C)C ZINC001567991140 1169110719 /nfs/dbraw/zinc/11/07/19/1169110719.db2.gz WQNGMSCPQASTGD-ZIAGYGMSSA-N 2 0 269.433 1.754 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)CC[N@H+](C)C(C)C)[NH+]1CCCC1 ZINC001496844567 909905987 /nfs/dbraw/zinc/90/59/87/909905987.db2.gz JKWVQHAWUYNAHO-HNNXBMFYSA-N 2 0 283.460 1.905 10 0 CDAERP CC(C)[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001409407895 910377589 /nfs/dbraw/zinc/37/75/89/910377589.db2.gz YGQFRVCRJNLPMW-QWHCGFSZSA-N 2 0 271.449 1.856 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC1CC1)[NH+]1CCCC1 ZINC001425700373 910392550 /nfs/dbraw/zinc/39/25/50/910392550.db2.gz UEATXBWTGOFKKW-HOCLYGCPSA-N 2 0 295.471 1.953 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H](C)[NH2+]C/C=C/Cl ZINC001409432010 910401019 /nfs/dbraw/zinc/40/10/19/910401019.db2.gz USCDQVJSGYUHHV-RQDOONKYSA-N 2 0 275.824 1.564 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001483579938 911289881 /nfs/dbraw/zinc/28/98/81/911289881.db2.gz NTYBAYAFEFHUFV-HUUCEWRRSA-N 2 0 281.444 1.611 10 0 CDAERP COc1ccc(OCC[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000227765355 911796663 /nfs/dbraw/zinc/79/66/63/911796663.db2.gz ALEAUFIZTOPVAE-KBPBESRZSA-N 2 0 278.396 1.991 10 0 CDAERP C[C@H]1CN(C(=O)c2ccc(CN(C)C)o2)[C@@H](C)CN1C ZINC001433824621 911889866 /nfs/dbraw/zinc/88/98/66/911889866.db2.gz FLJYHYALRFEDHT-RYUDHWBXSA-N 2 0 279.384 1.506 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](CC3CCC3)C[C@@H]2C1 ZINC001484411664 915735046 /nfs/dbraw/zinc/73/50/46/915735046.db2.gz BMRJOEVZPCACBN-GASCZTMLSA-N 2 0 279.428 1.128 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CCC[C@H]2C[N@H+](CC)C[C@H]21 ZINC001484470505 915797575 /nfs/dbraw/zinc/79/75/75/915797575.db2.gz HBONCCSOAOOKDU-RRFJBIMHSA-N 2 0 299.434 1.609 10 0 CDAERP CC(C)N1CC2(C1)CN(C(=O)CCCC[NH+](C)C)CCO2 ZINC001484778365 916155026 /nfs/dbraw/zinc/15/50/26/916155026.db2.gz COVVLKOMNDBLOZ-UHFFFAOYSA-N 2 0 297.443 1.040 10 0 CDAERP CC[C@H](C)C[NH2+]CC1CC(NC(=O)CC[NH+](C)C)C1 ZINC001485101751 916497863 /nfs/dbraw/zinc/49/78/63/916497863.db2.gz ZGWAAEDDZIQCOG-HSBZDZAISA-N 2 0 269.433 1.469 10 0 CDAERP COCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001485258415 916724624 /nfs/dbraw/zinc/72/46/24/916724624.db2.gz JXKDEURYRYAAMI-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@@H](F)CC[N@H+](C)[C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001485312376 916793002 /nfs/dbraw/zinc/79/30/02/916793002.db2.gz ICTGOVGZHSJOHJ-OLZOCXBDSA-N 2 0 287.423 1.655 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)N(C)Cc1ccns1 ZINC001485387137 916937084 /nfs/dbraw/zinc/93/70/84/916937084.db2.gz DEWMYOIBBHMOIU-GFCCVEGCSA-N 2 0 298.456 1.420 10 0 CDAERP CCC[N@H+](C)CCC(=O)NC[C@@H]1[C@H]2C[NH+](CCC)C[C@H]21 ZINC001485623939 917145985 /nfs/dbraw/zinc/14/59/85/917145985.db2.gz OWNSSMJRIOIZQA-QKDCVEJESA-N 2 0 281.444 1.422 10 0 CDAERP CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCCC[NH+](C)C)C[C@@H]2C1 ZINC001485658210 917158487 /nfs/dbraw/zinc/15/84/87/917158487.db2.gz TXBJQWRKDUKZMH-XHSDSOJGSA-N 2 0 295.471 1.955 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H](C[NH2+]C/C=C\Cl)C2)C1 ZINC001485701978 917206303 /nfs/dbraw/zinc/20/63/03/917206303.db2.gz DNPVGZHGUGFAKV-VJTUPBFBSA-N 2 0 299.846 1.565 10 0 CDAERP CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCn2cncc2C1 ZINC001485728075 917236438 /nfs/dbraw/zinc/23/64/38/917236438.db2.gz STMLUKDUVSOFJW-STQMWFEESA-N 2 0 278.400 1.340 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)[C@@H]1CC[C@H]2C[C@H](C)C[N@@H+]2C1 ZINC001649314398 1169191327 /nfs/dbraw/zinc/19/13/27/1169191327.db2.gz UMGHVLSFAHPPQJ-XHSDSOJGSA-N 2 0 295.471 1.907 10 0 CDAERP CC(C)CCC[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2cnc[nH]2)C1 ZINC001486123417 920730743 /nfs/dbraw/zinc/73/07/43/920730743.db2.gz BOVLSNVPRAKHJO-ZFWWWQNUSA-N 2 0 292.427 1.967 10 0 CDAERP CC(C)[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001486135850 920742215 /nfs/dbraw/zinc/74/22/15/920742215.db2.gz RGGXWVCBUYQLKG-QWHCGFSZSA-N 2 0 255.406 1.314 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001486201070 920807807 /nfs/dbraw/zinc/80/78/07/920807807.db2.gz BPLGEYJFCYPNFH-KGLIPLIRSA-N 2 0 281.444 1.755 10 0 CDAERP CCC[N@H+](C)C[C@H](O)CN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001486341482 920915322 /nfs/dbraw/zinc/91/53/22/920915322.db2.gz RHMBNTXPYKQLMH-CABCVRRESA-N 2 0 299.459 1.022 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NCC2=CC[NH+](CCCF)CC2)C1 ZINC001486515874 921092298 /nfs/dbraw/zinc/09/22/98/921092298.db2.gz SKYLNMZECCWKDL-CQSZACIVSA-N 2 0 297.418 1.436 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001491017925 936843038 /nfs/dbraw/zinc/84/30/38/936843038.db2.gz CVAAUDYWFSLOCD-XGFWRYKXSA-N 2 0 285.407 1.312 10 0 CDAERP CCOC(=O)CCCC[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923496354 923872164 /nfs/dbraw/zinc/87/21/64/923872164.db2.gz HNZPRRQOXJOYOX-CHWSQXEVSA-N 2 0 256.390 1.637 10 0 CDAERP CCC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001491225531 936879679 /nfs/dbraw/zinc/87/96/79/936879679.db2.gz PYQUJTXHUVFOEG-CYBMUJFWSA-N 2 0 255.406 1.319 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCn2cncc2C1 ZINC001491508480 936926921 /nfs/dbraw/zinc/92/69/21/936926921.db2.gz UJNSEDZGQSEAAM-ZIAGYGMSSA-N 2 0 290.411 1.506 10 0 CDAERP CCCC[NH2+][C@@]1(CO)CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001273936838 926500570 /nfs/dbraw/zinc/50/05/70/926500570.db2.gz RMTHSMHGJKHMPM-INIZCTEOSA-N 2 0 299.459 1.070 10 0 CDAERP CC[C@H](F)C[NH2+][C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001491548832 937106631 /nfs/dbraw/zinc/10/66/31/937106631.db2.gz PTUHCAUQMHGDOD-OLZOCXBDSA-N 2 0 287.423 1.703 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC2CC2)[C@@H]1C ZINC001410921595 926767036 /nfs/dbraw/zinc/76/70/36/926767036.db2.gz HRDVHSXTVYTXHD-UKRRQHHQSA-N 2 0 281.444 1.706 10 0 CDAERP CC1CC(C[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)CC2(C)C)C1 ZINC001410971937 926836668 /nfs/dbraw/zinc/83/66/68/926836668.db2.gz FHCGUKADLUDDFB-YMAMQOFZSA-N 2 0 295.471 1.811 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001279181088 926907348 /nfs/dbraw/zinc/90/73/48/926907348.db2.gz DCTOEXOCMPYBSN-LSDHHAIUSA-N 2 0 283.460 1.811 10 0 CDAERP CO[C@H](C)C[N@H+](C)CCN(C(=O)[C@@H]1CCC[NH+]1C)C(C)C ZINC001411186651 927184725 /nfs/dbraw/zinc/18/47/25/927184725.db2.gz RJXYGKZGGDOQGS-CABCVRRESA-N 2 0 299.459 1.284 10 0 CDAERP CC[C@H](C(=O)N(C)C1CC([NH2+]CCC2CC2)C1)[NH+](C)C ZINC001411234426 927284317 /nfs/dbraw/zinc/28/43/17/927284317.db2.gz IOABAGFXHJYENI-YMAMQOFZSA-N 2 0 281.444 1.706 10 0 CDAERP CC[NH+]1CCC([C@H](C)NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001411235742 927287864 /nfs/dbraw/zinc/28/78/64/927287864.db2.gz JNLNWPOIJHKVPW-ZDUSSCGKSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001490698949 927306250 /nfs/dbraw/zinc/30/62/50/927306250.db2.gz KMESJBJHMXBCPO-QEJZJMRPSA-N 2 0 281.444 1.610 10 0 CDAERP C[NH+](C)C1(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CCC1 ZINC000855165713 928367421 /nfs/dbraw/zinc/36/74/21/928367421.db2.gz YXDQVQLLPOIYTF-LBPRGKRZSA-N 2 0 267.417 1.460 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(C[C@@H]2CCCC[NH2+]C2)C1 ZINC000696989052 937275790 /nfs/dbraw/zinc/27/57/90/937275790.db2.gz JKJNAQSYNLPHAJ-CABCVRRESA-N 2 0 253.434 1.792 10 0 CDAERP CCCC[N@H+](C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001568502078 1169333666 /nfs/dbraw/zinc/33/36/66/1169333666.db2.gz ZAQXSTNEIWGARW-UHFFFAOYSA-N 2 0 267.417 1.273 10 0 CDAERP CC(C)COCC[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001568504298 1169338293 /nfs/dbraw/zinc/33/82/93/1169338293.db2.gz VDVZYDSJWDJJNS-HNNXBMFYSA-N 2 0 299.459 1.001 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCN(C)C(=O)Cc1cnc[nH]1 ZINC001320054492 931496796 /nfs/dbraw/zinc/49/67/96/931496796.db2.gz IOUQMYCHEJTGPY-LBPRGKRZSA-N 2 0 266.389 1.389 10 0 CDAERP O=C(C[NH+]1CCCC1)NC/C=C/C[NH2+]Cc1cncs1 ZINC001274578490 931511350 /nfs/dbraw/zinc/51/13/50/931511350.db2.gz JBLLVDHGEQJCMK-OWOJBTEDSA-N 2 0 294.424 1.001 10 0 CDAERP C[C@H](C[NH2+]CCc1ccccc1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001274701250 931551103 /nfs/dbraw/zinc/55/11/03/931551103.db2.gz KBPOJFMVDNLBKB-ZBFHGGJFSA-N 2 0 289.423 1.418 10 0 CDAERP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@@H](C)[NH2+]CC1CC1 ZINC001275472216 931814693 /nfs/dbraw/zinc/81/46/93/931814693.db2.gz VXHAXNYCNDULJX-VXGBXAGGSA-N 2 0 267.417 1.221 10 0 CDAERP CC[C@H](F)C[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001447771088 932092994 /nfs/dbraw/zinc/09/29/94/932092994.db2.gz RBAABTBHKFWBBM-LSDHHAIUSA-N 2 0 299.434 1.753 10 0 CDAERP C[C@H]1C[C@H](C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)CC[NH2+]1 ZINC001117953924 937572885 /nfs/dbraw/zinc/57/28/85/937572885.db2.gz UILRYAUTSCLIQZ-DRWKLNATSA-N 2 0 252.402 1.467 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC[C@H]2CCC[N@H+](C)C2)C1 ZINC001412219169 932329853 /nfs/dbraw/zinc/32/98/53/932329853.db2.gz QQWAMZZNNNACSF-PMPSAXMXSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N(CC[NH+](C)C)C1CCCC1 ZINC001412526844 932468050 /nfs/dbraw/zinc/46/80/50/932468050.db2.gz JUHVIECSWHGJCF-CQSZACIVSA-N 2 0 283.460 1.907 10 0 CDAERP CCCC[C@@H](C[NH2+]CC)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001276255311 932692431 /nfs/dbraw/zinc/69/24/31/932692431.db2.gz NCXZQAFLWYTJPY-UONOGXRCSA-N 2 0 269.433 1.755 10 0 CDAERP C[C@@H]([NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)C1CC[NH2+]CC1 ZINC000925725874 932932632 /nfs/dbraw/zinc/93/26/32/932932632.db2.gz CZCVYUGJXGMMOA-REBRKWNGSA-N 3 0 265.445 1.741 10 0 CDAERP CC(C)CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001490857504 934569702 /nfs/dbraw/zinc/56/97/02/934569702.db2.gz LSQDUXJVYPCYCJ-GJZGRUSLSA-N 2 0 281.444 1.565 10 0 CDAERP COc1cccc(N2CC[NH+](C[C@@H]3CC[C@H]([NH3+])C3)CC2)c1 ZINC000091539820 934868379 /nfs/dbraw/zinc/86/83/79/934868379.db2.gz ZHHSMONXCKMFOI-CABCVRRESA-N 2 0 289.423 1.945 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC001413329832 935990520 /nfs/dbraw/zinc/99/05/20/935990520.db2.gz WZJZXPGBYQSQTR-RBSFLKMASA-N 2 0 293.455 1.850 10 0 CDAERP C[C@@H](CC[NH2+]C/C=C\Cl)NC(=O)C12CC[NH+](CC1)C2 ZINC001568698207 1169435469 /nfs/dbraw/zinc/43/54/69/1169435469.db2.gz ATZDJXFLTRWZAA-DWMUBGRBSA-N 2 0 285.819 1.319 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C1C[NH+](CC(C)C)C1)[NH+](C)C ZINC001276452907 939754160 /nfs/dbraw/zinc/75/41/60/939754160.db2.gz HGFJUGFGWQKQPZ-GXTWGEPZSA-N 2 0 269.433 1.419 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[N@@H+](C(C)C)CC1(C)C)[NH+](C)C ZINC001276594536 940397283 /nfs/dbraw/zinc/39/72/83/940397283.db2.gz ZONSCZKXSFGVML-OLZOCXBDSA-N 2 0 269.433 1.562 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]C/C=C\Cl)C1CC1 ZINC001276649052 940599416 /nfs/dbraw/zinc/59/94/16/940599416.db2.gz WIFWBDHUQVBYOY-MIBUCLJRSA-N 2 0 273.808 1.175 10 0 CDAERP C[NH+](C)CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091359023 940739188 /nfs/dbraw/zinc/73/91/88/940739188.db2.gz IQRDFPSSILOWJE-IHRRRGAJSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C1CC[NH2+]CC1 ZINC000400319011 940846923 /nfs/dbraw/zinc/84/69/23/940846923.db2.gz BAXHBGJORQVJAV-QEJZJMRPSA-N 3 0 251.418 1.591 10 0 CDAERP CCC[NH+]1CCN(C(=O)[C@@H]2CC[C@H]3C[C@H](C)C[N@@H+]3C2)CC1 ZINC001362027373 970791708 /nfs/dbraw/zinc/79/17/08/970791708.db2.gz AKUIDOXQPGYTNS-XHSDSOJGSA-N 2 0 293.455 1.661 10 0 CDAERP CC1CC[NH+](CCCNC(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)CC1 ZINC000720953551 941780143 /nfs/dbraw/zinc/78/01/43/941780143.db2.gz KVIIHTZEFUEGSH-QLFBSQMISA-N 2 0 279.428 1.080 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2=CC[NH+](CC3CC3)CC2)C1 ZINC001279668696 942400118 /nfs/dbraw/zinc/40/01/18/942400118.db2.gz DQOUDDZHZFEITL-INIZCTEOSA-N 2 0 291.439 1.487 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001316628322 942933663 /nfs/dbraw/zinc/93/36/63/942933663.db2.gz JTHWQGXJZDVRAD-KKUMJFAQSA-N 2 0 281.444 1.755 10 0 CDAERP CC[NH2+][C@H]1C[C@@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001263835585 943995703 /nfs/dbraw/zinc/99/57/03/943995703.db2.gz YDPZKDCITKOTTK-MJBXVCDLSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001277925228 944064904 /nfs/dbraw/zinc/06/49/04/944064904.db2.gz YBRFDIILLVANOH-HNNXBMFYSA-N 2 0 281.444 1.875 10 0 CDAERP C[C@H](O)CCC[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001265001134 944197959 /nfs/dbraw/zinc/19/79/59/944197959.db2.gz OSAWPMIDRNDLCT-LSDHHAIUSA-N 2 0 299.459 1.070 10 0 CDAERP CCOCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001265283519 944320871 /nfs/dbraw/zinc/32/08/71/944320871.db2.gz FYCFIMWZTQBIGC-HUUCEWRRSA-N 2 0 297.443 1.086 10 0 CDAERP C[NH+]1CCC(CC(=O)NC[C@H]([NH2+]CCCF)C2CC2)CC1 ZINC001265374778 944363239 /nfs/dbraw/zinc/36/32/39/944363239.db2.gz UHYOFGYMSOEHAJ-HNNXBMFYSA-N 2 0 299.434 1.562 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001265635350 944453469 /nfs/dbraw/zinc/45/34/69/944453469.db2.gz VMOJLHAACQMLNF-JKSUJKDBSA-N 2 0 293.455 1.733 10 0 CDAERP CC[C@H](C)C[NH2+][C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001265863350 944545905 /nfs/dbraw/zinc/54/59/05/944545905.db2.gz AZALKRUTHXZROW-QWHCGFSZSA-N 2 0 255.406 1.223 10 0 CDAERP CCC[NH2+][C@H](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001266167354 944726936 /nfs/dbraw/zinc/72/69/36/944726936.db2.gz TUARFJIVZNYMHZ-CYBMUJFWSA-N 2 0 269.433 1.755 10 0 CDAERP CCC(=O)N1CCC([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC001261554062 946173029 /nfs/dbraw/zinc/17/30/29/946173029.db2.gz RWCWMBDFTPQDIX-XBXGTLAGSA-N 2 0 267.417 1.317 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[NH2+]C2CCN(CC(F)F)CC2)C1 ZINC001262202265 946517274 /nfs/dbraw/zinc/51/72/74/946517274.db2.gz QXJHPKFYAMYBDO-WDEREUQCSA-N 2 0 261.360 1.433 10 0 CDAERP CCOCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001278379140 947350980 /nfs/dbraw/zinc/35/09/80/947350980.db2.gz RFAXDPCBJSQVPQ-ZIAGYGMSSA-N 2 0 297.443 1.086 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001331559425 947394249 /nfs/dbraw/zinc/39/42/49/947394249.db2.gz FJBXDKXLRBDNBF-HUUCEWRRSA-N 2 0 281.444 1.731 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H]1C ZINC001479718833 971381060 /nfs/dbraw/zinc/38/10/60/971381060.db2.gz JEQBEGYLUGCNEE-HZSPNIEDSA-N 2 0 269.433 1.562 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)NCCC[N@H+](C)CC2CC2)CC1 ZINC001479806546 971431525 /nfs/dbraw/zinc/43/15/25/971431525.db2.gz UQBVGPRNJKTPLI-UHFFFAOYSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)C[NH+](C)C ZINC000724096307 948628140 /nfs/dbraw/zinc/62/81/40/948628140.db2.gz JCJMQDFRNCVLCZ-RKDXNWHRSA-N 2 0 292.292 1.722 10 0 CDAERP CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001278499660 948944502 /nfs/dbraw/zinc/94/45/02/948944502.db2.gz VTJCZHLHUKQKRE-ZMSDIMECSA-N 2 0 295.471 1.955 10 0 CDAERP O=C(CC[N@H+]1CC[C@@H](F)C1)NCC1CC[NH+](C2CC2)CC1 ZINC001362762312 971599095 /nfs/dbraw/zinc/59/90/95/971599095.db2.gz ZCCQTKYCUUQZGS-CQSZACIVSA-N 2 0 297.418 1.411 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001480156250 971605777 /nfs/dbraw/zinc/60/57/77/971605777.db2.gz JYAGMWCYNSQBHK-JOCQHMNTSA-N 2 0 255.406 1.365 10 0 CDAERP CCC[NH2+][C@H]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001480174289 971612710 /nfs/dbraw/zinc/61/27/10/971612710.db2.gz CHTZITSNFLMPDL-SHTZXODSSA-N 2 0 281.444 1.899 10 0 CDAERP C[N@H+](CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC2)C1)C1CCC1 ZINC001480207734 971628721 /nfs/dbraw/zinc/62/87/21/971628721.db2.gz FQUOPQOREGGPFZ-OKILXGFUSA-N 2 0 279.428 1.508 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+](C/C=C/Cl)C1 ZINC001480262086 971652898 /nfs/dbraw/zinc/65/28/98/971652898.db2.gz JHABPJJEHNAOFA-WXJAXGNASA-N 2 0 287.835 1.519 10 0 CDAERP CCN1CC[C@@H]1C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001362900170 971710334 /nfs/dbraw/zinc/71/03/34/971710334.db2.gz RAFPDWWDNQIIQI-UKRRQHHQSA-N 2 0 279.428 1.413 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001480485830 971751749 /nfs/dbraw/zinc/75/17/49/971751749.db2.gz GUBHSFQNDPKOKR-OAHLLOKOSA-N 2 0 293.455 1.923 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CCCOC)C(C)(C)C1 ZINC001278685479 951695097 /nfs/dbraw/zinc/69/50/97/951695097.db2.gz ZFEXERPXGCKAQC-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001480591382 971798395 /nfs/dbraw/zinc/79/83/95/971798395.db2.gz GZUBIEBHIPIYTF-STQMWFEESA-N 2 0 255.406 1.079 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](C[NH2+]CC=C(C)C)C1 ZINC001325581788 953971990 /nfs/dbraw/zinc/97/19/90/953971990.db2.gz ODBJQSSWOWUQSD-JKSUJKDBSA-N 2 0 295.471 1.979 10 0 CDAERP [NH3+][C@H](CNC(=O)[C@@H]1CCCC[C@H]1[NH3+])c1ccccc1 ZINC001326281489 954299054 /nfs/dbraw/zinc/29/90/54/954299054.db2.gz BYGKMCNOSWSLLR-MGPQQGTHSA-N 2 0 261.369 1.320 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCC1CCCC1 ZINC001491676032 955382728 /nfs/dbraw/zinc/38/27/28/955382728.db2.gz YNYXQBNDIBSJQL-HIFRSBDPSA-N 2 0 281.444 1.613 10 0 CDAERP CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001491792570 955431845 /nfs/dbraw/zinc/43/18/45/955431845.db2.gz WNHAEWXBOHKOTN-XETQRACLSA-N 2 0 293.455 1.875 10 0 CDAERP CC(C)(C)CC[NH2+]C[C@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001491859310 955472770 /nfs/dbraw/zinc/47/27/70/955472770.db2.gz TTXMIRBGHBVINJ-CQSZACIVSA-N 2 0 292.427 1.757 10 0 CDAERP CCC[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001493727534 972105947 /nfs/dbraw/zinc/10/59/47/972105947.db2.gz YQJKYHSIFZQPCF-KBPBESRZSA-N 2 0 267.417 1.461 10 0 CDAERP Cc1oncc1C[NH2+]C1(CNC(=O)CC[NH+](C)C)CCC1 ZINC001421773190 955537997 /nfs/dbraw/zinc/53/79/97/955537997.db2.gz XEACRZZNWAAEOH-UHFFFAOYSA-N 2 0 294.399 1.063 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1CCC[N@H+](CC)CC1 ZINC001421820151 955570595 /nfs/dbraw/zinc/57/05/95/955570595.db2.gz AVVNOMQHKRSDRQ-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP COCCC[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001493761826 972111374 /nfs/dbraw/zinc/11/13/74/972111374.db2.gz NTHJCNPPOGFRJI-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC1CC1 ZINC001329174915 955736975 /nfs/dbraw/zinc/73/69/75/955736975.db2.gz XIKRPDDSKQRGHF-RYUDHWBXSA-N 2 0 255.406 1.221 10 0 CDAERP CC/C=C/CC[NH2+][C@H](C)[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001329196980 955749211 /nfs/dbraw/zinc/74/92/11/955749211.db2.gz UDARCMOZQDFIDM-XEVLESSRSA-N 2 0 281.444 1.921 10 0 CDAERP CCN(CC[NH2+]C(C)C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001422448848 956014106 /nfs/dbraw/zinc/01/41/06/956014106.db2.gz GYKYFWKJOBGVRH-HUUCEWRRSA-N 2 0 281.444 1.850 10 0 CDAERP C[C@H]([NH3+])CN1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC001329701272 956071046 /nfs/dbraw/zinc/07/10/46/956071046.db2.gz HROYUJGVFXMAFZ-KCQAQPDRSA-N 3 0 253.434 1.953 10 0 CDAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCc1ccon1 ZINC001422495799 956090640 /nfs/dbraw/zinc/09/06/40/956090640.db2.gz LQTLMAJSWLDYEU-OCCSQVGLSA-N 2 0 294.399 1.142 10 0 CDAERP [NH3+]C[C@@H]1Cc2ccccc2N(C[C@@H]2CCC[NH2+]C2)C1 ZINC001329754722 956097013 /nfs/dbraw/zinc/09/70/13/956097013.db2.gz NQZDBPURKBHJBM-KGLIPLIRSA-N 2 0 259.397 1.624 10 0 CDAERP C[C@H](C[NH2+]Cc1ccccc1F)NC(=O)CC[NH+](C)C ZINC001422555203 956148759 /nfs/dbraw/zinc/14/87/59/956148759.db2.gz XEZYBNLBEHKKNL-GFCCVEGCSA-N 2 0 281.375 1.372 10 0 CDAERP CCCC[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001365692700 956301937 /nfs/dbraw/zinc/30/19/37/956301937.db2.gz NBWJBNSSSGFVHH-LSDHHAIUSA-N 2 0 281.444 1.661 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001365806580 956379371 /nfs/dbraw/zinc/37/93/71/956379371.db2.gz IBAUDZWFPNNVHC-QLFBSQMISA-N 2 0 281.444 1.611 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001366000541 956502984 /nfs/dbraw/zinc/50/29/84/956502984.db2.gz TVGFTXMAKCCRGU-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001366122305 956583247 /nfs/dbraw/zinc/58/32/47/956583247.db2.gz DXPMCHRZUUGHLM-KKUMJFAQSA-N 2 0 299.434 1.703 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1CCCC1CCC1 ZINC001423111565 956599235 /nfs/dbraw/zinc/59/92/35/956599235.db2.gz LBQHFXJWYGDZSS-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CCOCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001494271916 972205131 /nfs/dbraw/zinc/20/51/31/972205131.db2.gz WSDUXJROFHJJRW-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1cccnc1 ZINC001366288518 956714997 /nfs/dbraw/zinc/71/49/97/956714997.db2.gz CDVSGLSBCXRONM-HIFRSBDPSA-N 2 0 290.411 1.160 10 0 CDAERP CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1cncs1)[NH+](C)C ZINC001366295092 956720284 /nfs/dbraw/zinc/72/02/84/956720284.db2.gz VGQBCONPNJXIOJ-AAEUAGOBSA-N 2 0 298.456 1.324 10 0 CDAERP CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001423356660 956735050 /nfs/dbraw/zinc/73/50/50/956735050.db2.gz IDFSFUCEKOKJKQ-RRFJBIMHSA-N 2 0 281.444 1.565 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccon2)C1 ZINC001366435983 956823289 /nfs/dbraw/zinc/82/32/89/956823289.db2.gz UJMLUHFFBZCHQQ-OLZOCXBDSA-N 2 0 294.399 1.143 10 0 CDAERP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cncs1 ZINC001366508724 956892671 /nfs/dbraw/zinc/89/26/71/956892671.db2.gz MNIRJNBTKGZJLW-GFCCVEGCSA-N 2 0 296.440 1.223 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N[C@@H](C[NH2+]CC2CC2)C(C)(C)C)C1 ZINC001423609974 956901439 /nfs/dbraw/zinc/90/14/39/956901439.db2.gz AKLDDXAXTHZLCB-CABCVRRESA-N 2 0 295.471 1.859 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001316823915 957048264 /nfs/dbraw/zinc/04/82/64/957048264.db2.gz KXTKQPRZFOSACW-ZBFHGGJFSA-N 2 0 295.471 1.812 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1CC(C)C)C(C)C ZINC001366620979 957048747 /nfs/dbraw/zinc/04/87/47/957048747.db2.gz PAOIYCZYADUMSJ-HNNXBMFYSA-N 2 0 283.460 1.953 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCC2CC2)CCC1 ZINC001424197468 957151860 /nfs/dbraw/zinc/15/18/60/957151860.db2.gz ZEXYIYMWVYLHME-HNNXBMFYSA-N 2 0 293.455 1.899 10 0 CDAERP C[C@H](F)CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001424219944 957159806 /nfs/dbraw/zinc/15/98/06/957159806.db2.gz UWYONDLPBGBQGK-QWHCGFSZSA-N 2 0 285.407 1.315 10 0 CDAERP C[C@@H](F)CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001424496802 957252666 /nfs/dbraw/zinc/25/26/66/957252666.db2.gz DPQFGPDQZPBPMW-ZIAGYGMSSA-N 2 0 299.434 1.657 10 0 CDAERP CC[C@@H](C)C[NH+]1CC(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001366978990 957311360 /nfs/dbraw/zinc/31/13/60/957311360.db2.gz UVKVRMGHZHWZJN-CQSZACIVSA-N 2 0 295.471 1.812 10 0 CDAERP Cn1ncc2cc(C[NH2+]CCC3CC[NH+](C)CC3)cnc21 ZINC001331891947 957316946 /nfs/dbraw/zinc/31/69/46/957316946.db2.gz QZOLUPQTIPSQTI-UHFFFAOYSA-N 2 0 287.411 1.790 10 0 CDAERP COCCC[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001317181216 957328006 /nfs/dbraw/zinc/32/80/06/957328006.db2.gz QEWHOIBLRYOQNC-HNNXBMFYSA-N 2 0 297.443 1.089 10 0 CDAERP CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]1C ZINC001331944711 957353239 /nfs/dbraw/zinc/35/32/39/957353239.db2.gz TYCCCTCZNIDRBK-CHWSQXEVSA-N 2 0 255.406 1.316 10 0 CDAERP Cc1ncc(C[NH2+][C@H](C)[C@H](C)NC(=O)CC[NH+](C)C)s1 ZINC001424811978 957367526 /nfs/dbraw/zinc/36/75/26/957367526.db2.gz WIOLXGYRLPZTSA-MNOVXSKESA-N 2 0 298.456 1.386 10 0 CDAERP CCCC[NH2+][C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001317247176 957378772 /nfs/dbraw/zinc/37/87/72/957378772.db2.gz OJZCPZHUUUWTOO-AWEZNQCLSA-N 2 0 281.444 1.757 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCC1=CCCCC1 ZINC001317288113 957406051 /nfs/dbraw/zinc/40/60/51/957406051.db2.gz FPFZBKCPGXTCCF-GOEBONIOSA-N 2 0 293.455 1.923 10 0 CDAERP CCOCC[NH2+][C@H]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001317363127 957436898 /nfs/dbraw/zinc/43/68/98/957436898.db2.gz JVWDQYLLVPVOTN-LSDHHAIUSA-N 2 0 297.443 1.136 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001317531707 957533687 /nfs/dbraw/zinc/53/36/87/957533687.db2.gz CDVBKYFSRORURK-ZIAGYGMSSA-N 2 0 267.417 1.176 10 0 CDAERP CN(CC[NH2+]C/C=C\Cl)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001317616644 957599202 /nfs/dbraw/zinc/59/92/02/957599202.db2.gz GLGWKIMRVOGPOQ-SREVYHEPSA-N 2 0 287.835 1.661 10 0 CDAERP CC[C@@H](C(=O)N(C)CC[NH2+]Cc1csc(C)c1)[NH+](C)C ZINC001317656020 957624681 /nfs/dbraw/zinc/62/46/81/957624681.db2.gz VDBSFDBDBGGOQF-AWEZNQCLSA-N 2 0 297.468 1.945 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]CCCF ZINC001317663491 957628714 /nfs/dbraw/zinc/62/87/14/957628714.db2.gz FNBWQZGSNYOJSE-CYBMUJFWSA-N 2 0 273.396 1.268 10 0 CDAERP CC(C)OCC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001425932118 957647207 /nfs/dbraw/zinc/64/72/07/957647207.db2.gz OLLXEWBIWMNMBK-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP CO[C@@H](C)C[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C(C)(C)C ZINC001426163997 957814759 /nfs/dbraw/zinc/81/47/59/957814759.db2.gz KUHUWGVQWDCESY-UONOGXRCSA-N 2 0 299.459 1.238 10 0 CDAERP CCOCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001318386164 958070804 /nfs/dbraw/zinc/07/08/04/958070804.db2.gz LCTCGXRHLNHKCA-CABCVRRESA-N 2 0 297.443 1.040 10 0 CDAERP CO[C@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001318445225 958105542 /nfs/dbraw/zinc/10/55/42/958105542.db2.gz KMHRYIVEXKMHMV-CABCVRRESA-N 2 0 299.459 1.286 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCOC(C)C ZINC001318561184 958173755 /nfs/dbraw/zinc/17/37/55/958173755.db2.gz GKNFEPLOXUXSHL-GJZGRUSLSA-N 2 0 299.459 1.380 10 0 CDAERP CCC[NH2+][C@H](CC)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001318594479 958191554 /nfs/dbraw/zinc/19/15/54/958191554.db2.gz IUORPLFNJKKOFC-CHWSQXEVSA-N 2 0 255.406 1.223 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH+](C)CCC2CC2)CC[N@@H+]1C ZINC001367809233 958386954 /nfs/dbraw/zinc/38/69/54/958386954.db2.gz SBYQTXWRSAXCSH-VNQPRFMTSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001367960112 958517492 /nfs/dbraw/zinc/51/74/92/958517492.db2.gz PONFVHGRAHXEGE-HUUCEWRRSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)C[C@@H](C)C[N@@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001367965166 958523151 /nfs/dbraw/zinc/52/31/51/958523151.db2.gz LIDFKIHVLUJPGN-CABCVRRESA-N 2 0 283.460 1.811 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CC[NH+]2CCC(C)(C)C)C1 ZINC001367986442 958548182 /nfs/dbraw/zinc/54/81/82/958548182.db2.gz SWHAPGXEJYLMLN-LSDHHAIUSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001319487018 958589058 /nfs/dbraw/zinc/58/90/58/958589058.db2.gz UDWQPOTXNDGFHR-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@H](C)C[NH2+]CCOC)C1 ZINC001319515679 958605808 /nfs/dbraw/zinc/60/58/08/958605808.db2.gz RRFHGCJXYWORBR-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP C[C@H](C[NH2+]C/C=C\Cl)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001319558948 958631750 /nfs/dbraw/zinc/63/17/50/958631750.db2.gz CBGQQJLBNLWZBL-GCLPIYDQSA-N 2 0 285.819 1.271 10 0 CDAERP CC/C=C\CC[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001319575643 958636243 /nfs/dbraw/zinc/63/62/43/958636243.db2.gz YWDGXAPPKZKFSV-IYKSTZQJSA-N 2 0 281.444 1.875 10 0 CDAERP C[C@H](C[NH2+]CCCF)N(C)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001319575413 958638660 /nfs/dbraw/zinc/63/86/60/958638660.db2.gz DOPKGVFWBGTTHK-HIFRSBDPSA-N 2 0 285.407 1.268 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC1(C)CC[NH+](CCF)CC1 ZINC001368120512 958650397 /nfs/dbraw/zinc/65/03/97/958650397.db2.gz LLUNQWPDFGQACY-CQSZACIVSA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)C[C@H](C[NH2+]CCF)NC(=O)C1CC[NH+](C)CC1 ZINC001319635627 958665303 /nfs/dbraw/zinc/66/53/03/958665303.db2.gz XGDYBJGHIABLIG-CQSZACIVSA-N 2 0 287.423 1.418 10 0 CDAERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H](C)[NH2+]Cc1cccnc1 ZINC001368914919 959247161 /nfs/dbraw/zinc/24/71/61/959247161.db2.gz OWDUFDZTHCTHON-ZIAGYGMSSA-N 2 0 290.411 1.160 10 0 CDAERP C(C[NH2+][C@@H]1CCO[C@@]12CCOC2)C[NH+]1CCCC1 ZINC001334731300 959312762 /nfs/dbraw/zinc/31/27/62/959312762.db2.gz KNYVIKDCIGPFMG-ZIAGYGMSSA-N 2 0 254.374 1.010 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CCCCC[N@@H+]1CC1CC1 ZINC001369081548 959447766 /nfs/dbraw/zinc/44/77/66/959447766.db2.gz YCFQIFFYXNUKJQ-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@@H](NC(=O)C[NH+]1CCCC1)C1C[NH+](CC2CC(C)C2)C1 ZINC001369097617 959457972 /nfs/dbraw/zinc/45/79/72/959457972.db2.gz DFXJICOPHVPQGQ-SHARSMKWSA-N 2 0 293.455 1.565 10 0 CDAERP CCN(CC[NH2+]C[C@@H]1CC[C@@H](C)O1)C(=O)C[N@H+](C)C(C)C ZINC001320929189 959464106 /nfs/dbraw/zinc/46/41/06/959464106.db2.gz QUEUYLPUBJVILY-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001369176795 959504141 /nfs/dbraw/zinc/50/41/41/959504141.db2.gz REGXSCFRGQISJD-RBSFLKMASA-N 2 0 281.444 1.469 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccon2)C1 ZINC001369430827 959683639 /nfs/dbraw/zinc/68/36/39/959683639.db2.gz YYSWKGPXCUFBPO-STQMWFEESA-N 2 0 294.399 1.001 10 0 CDAERP COCC[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001321282409 959695967 /nfs/dbraw/zinc/69/59/67/959695967.db2.gz WIJHXEGFBOHGFZ-IYKSTZQJSA-N 2 0 297.443 1.158 10 0 CDAERP CC(C)C[C@H](C)C[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001321391682 959764485 /nfs/dbraw/zinc/76/44/85/959764485.db2.gz GTLICIZMUMOWOT-XFCCUVRLSA-N 2 0 295.471 1.882 10 0 CDAERP C[NH+]1CCC(C(=O)N[C@](C)(C[NH2+]CCCF)C2CC2)CC1 ZINC001495275837 972463794 /nfs/dbraw/zinc/46/37/94/972463794.db2.gz CRYXUMCAUZGIOB-MRXNPFEDSA-N 2 0 299.434 1.562 10 0 CDAERP CCCC[N@@H+]1CC[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001369979134 959945239 /nfs/dbraw/zinc/94/52/39/959945239.db2.gz TVAMDDRSCQFAFQ-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP CC[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001322258621 960158121 /nfs/dbraw/zinc/15/81/21/960158121.db2.gz OVGZRJZZDSEGGT-KGLIPLIRSA-N 2 0 269.433 1.707 10 0 CDAERP CO[C@@H](C)C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001322505498 960242591 /nfs/dbraw/zinc/24/25/91/960242591.db2.gz KXPQCLXZHDXKKQ-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP CC[NH2+][C@@H](C)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001371365891 972490520 /nfs/dbraw/zinc/49/05/20/972490520.db2.gz UHMPZJUGTVYKHD-FZMZJTMJSA-N 2 0 273.396 1.313 10 0 CDAERP Cc1cc(NC(=O)NC2CC[NH+](C)CC2)cc(C)n1 ZINC001322619645 960276088 /nfs/dbraw/zinc/27/60/88/960276088.db2.gz QRRRKICZQXHSED-UHFFFAOYSA-N 2 0 262.357 1.336 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001418626425 960818147 /nfs/dbraw/zinc/81/81/47/960818147.db2.gz FNXAYZRSHYYCBH-CABCVRRESA-N 2 0 295.471 1.955 10 0 CDAERP O=C(NCC[N@@H+](CCCF)C1CC1)C12CC[NH+](CC1)C2 ZINC001418800207 961041566 /nfs/dbraw/zinc/04/15/66/961041566.db2.gz IUJVTARAGMSQJW-UHFFFAOYSA-N 2 0 283.391 1.022 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001418921367 961160402 /nfs/dbraw/zinc/16/04/02/961160402.db2.gz SCHNOUZEMKIUFA-GJZGRUSLSA-N 2 0 299.434 1.659 10 0 CDAERP CCCC[NH2+]C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001324224160 961248089 /nfs/dbraw/zinc/24/80/89/961248089.db2.gz ZZKIPYGXNKEUJH-CYBMUJFWSA-N 2 0 255.406 1.319 10 0 CDAERP CCN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001419151071 961433588 /nfs/dbraw/zinc/43/35/88/961433588.db2.gz RFLUNLGDWPUGLP-INIZCTEOSA-N 2 0 293.455 1.805 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ocnc1C ZINC001419183131 961482751 /nfs/dbraw/zinc/48/27/51/961482751.db2.gz VBOKTDDIJXXEJI-STQMWFEESA-N 2 0 294.399 1.062 10 0 CDAERP CC[C@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+]C[C@@H](F)CC ZINC001419198033 961495450 /nfs/dbraw/zinc/49/54/50/961495450.db2.gz KIAAYVHSUZTVDU-UONOGXRCSA-N 2 0 299.434 1.847 10 0 CDAERP CC[N@H+](C)C[C@H](O)CN1C[C@H]([NH+]2CCCC2)C[C@H]1C(C)C ZINC001434508666 961581996 /nfs/dbraw/zinc/58/19/96/961581996.db2.gz LKHXKETUOJYLCL-IKGGRYGDSA-N 2 0 297.487 1.494 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]([NH2+]C/C=C/Cl)C1CC1 ZINC001419322763 961607977 /nfs/dbraw/zinc/60/79/77/961607977.db2.gz KVKYYGLKPRDNHT-WXJAXGNASA-N 2 0 287.835 1.564 10 0 CDAERP COCCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001569362439 1169800238 /nfs/dbraw/zinc/80/02/38/1169800238.db2.gz ARNFOEFUKRYVPE-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001436325808 962184672 /nfs/dbraw/zinc/18/46/72/962184672.db2.gz SFIPWRBAWXJLIS-LSDHHAIUSA-N 2 0 281.444 1.804 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1CC[N@H+](CC)[C@@H]1C ZINC001436480602 962282411 /nfs/dbraw/zinc/28/24/11/962282411.db2.gz JPMJIDQICADCQW-UPJWGTAASA-N 2 0 273.396 1.265 10 0 CDAERP C[N@@H+]1C[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C(C)(C)C1 ZINC001420015766 962371430 /nfs/dbraw/zinc/37/14/30/962371430.db2.gz OQAKIKPCAYXZKN-BLLLJJGKSA-N 2 0 299.434 1.655 10 0 CDAERP CCC[NH2+][C@H](CNC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001436799296 962426478 /nfs/dbraw/zinc/42/64/78/962426478.db2.gz PIYCEAGIXJRZQQ-OAHLLOKOSA-N 2 0 293.455 1.757 10 0 CDAERP CC[C@H](C)C[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001436829889 962443862 /nfs/dbraw/zinc/44/38/62/962443862.db2.gz SCZXCBNEYLJVLK-DZGCQCFKSA-N 2 0 281.444 1.613 10 0 CDAERP Cc1nsc(C)c1C[NH2+][C@H](C)CNC(=O)CC[NH+](C)C ZINC001437195939 962721439 /nfs/dbraw/zinc/72/14/39/962721439.db2.gz CMZHLRHIMCTZDM-SNVBAGLBSA-N 2 0 298.456 1.306 10 0 CDAERP C[C@H](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CCF ZINC001437413523 962870635 /nfs/dbraw/zinc/87/06/35/962870635.db2.gz YKWUJFKKMGMNAG-KGLIPLIRSA-N 2 0 287.423 1.705 10 0 CDAERP C[C@@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001420510130 962987285 /nfs/dbraw/zinc/98/72/85/962987285.db2.gz KGEFFOBYISTCQV-JSGCOSHPSA-N 2 0 281.444 1.469 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]1C[C@H](F)CC ZINC001437692482 963123368 /nfs/dbraw/zinc/12/33/68/963123368.db2.gz YGUBLBWWWBRLPZ-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)[N@H+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)C1CC1 ZINC001437805709 963189698 /nfs/dbraw/zinc/18/96/98/963189698.db2.gz DRBMOZXCDZZICQ-HOCLYGCPSA-N 2 0 293.455 1.992 10 0 CDAERP CC[C@@H](C)C[NH+]1CC(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001438097217 963319225 /nfs/dbraw/zinc/31/92/25/963319225.db2.gz QQMGENOWJSIDSW-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+]2CCCC(C)(C)C)C1 ZINC001420903592 963342864 /nfs/dbraw/zinc/34/28/64/963342864.db2.gz MPZBTMOAWGEVGQ-GJZGRUSLSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](C[NH+](C)CCF)C2)C1 ZINC001420947344 963379241 /nfs/dbraw/zinc/37/92/41/963379241.db2.gz POFCPOALUPYYFO-KBPBESRZSA-N 2 0 285.407 1.078 10 0 CDAERP CC[C@@H](C)C[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001420979288 963401158 /nfs/dbraw/zinc/40/11/58/963401158.db2.gz SWOAYCPPCFLDHC-ZIAGYGMSSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@H](F)C[NH2+][C@@H](CC)CNC(=O)C[NH+]1CCCC1 ZINC001438368889 963417517 /nfs/dbraw/zinc/41/75/17/963417517.db2.gz NWXOVRKSIDXYGZ-STQMWFEESA-N 2 0 273.396 1.315 10 0 CDAERP CC(C)[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC1CC1 ZINC001438829615 963564213 /nfs/dbraw/zinc/56/42/13/963564213.db2.gz PRHPPVIVQDFLPR-DZGCQCFKSA-N 2 0 281.444 1.469 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001439686813 963837858 /nfs/dbraw/zinc/83/78/58/963837858.db2.gz YMHJHLHLPKSUIB-INIZCTEOSA-N 2 0 295.471 1.907 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@H]1C[N@H+](C)CC(C)C)[NH+](C)C ZINC001440736598 964153392 /nfs/dbraw/zinc/15/33/92/964153392.db2.gz NRTDYXQPBNFIKZ-LSDHHAIUSA-N 2 0 283.460 1.905 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)[NH2+]Cc1ccsc1 ZINC001440849021 964204970 /nfs/dbraw/zinc/20/49/70/964204970.db2.gz ZKXHDLYOHWEQOX-VXGBXAGGSA-N 2 0 283.441 1.683 10 0 CDAERP C[C@@H](F)CC[N@H+](C)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001440962444 964290853 /nfs/dbraw/zinc/29/08/53/964290853.db2.gz KMIDIZILUPGBIS-CHWSQXEVSA-N 2 0 287.423 1.513 10 0 CDAERP C[C@@H](F)CC[NH+]1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001441002913 964323870 /nfs/dbraw/zinc/32/38/70/964323870.db2.gz AVECOLUBRQHCFI-CYBMUJFWSA-N 2 0 287.423 1.609 10 0 CDAERP CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C1CC1 ZINC001441209875 964419059 /nfs/dbraw/zinc/41/90/59/964419059.db2.gz UAUFVDWBAUGEKV-CABCVRRESA-N 2 0 281.444 1.611 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]([NH2+]Cc1cccnc1)C1CC1 ZINC001441223259 964424278 /nfs/dbraw/zinc/42/42/78/964424278.db2.gz DXAWDQUINMQVCA-HNNXBMFYSA-N 2 0 290.411 1.018 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC001441546415 964584192 /nfs/dbraw/zinc/58/41/92/964584192.db2.gz GMYHIEHVWGYWCY-ZNMIVQPWSA-N 2 0 297.443 1.133 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCF)[C@@H]2C1 ZINC001441881574 964765994 /nfs/dbraw/zinc/76/59/94/964765994.db2.gz UORSBIRMPRHSSE-ZNMIVQPWSA-N 2 0 299.434 1.514 10 0 CDAERP CC[N@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001442054253 964846783 /nfs/dbraw/zinc/84/67/83/964846783.db2.gz IHZBPAVDBTWGBI-CQSZACIVSA-N 2 0 299.459 1.022 10 0 CDAERP C[N@H+](C/C=C\Cl)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001442218758 964928734 /nfs/dbraw/zinc/92/87/34/964928734.db2.gz URALPGFNQJDPND-WREBYIDWSA-N 2 0 299.846 1.613 10 0 CDAERP CC(C)CC[N@H+](C)CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001442600608 965129419 /nfs/dbraw/zinc/12/94/19/965129419.db2.gz DBWAXTUAETYKBY-GASCZTMLSA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001443409318 965460035 /nfs/dbraw/zinc/46/00/35/965460035.db2.gz SAWDBXKRUAJONZ-RBSFLKMASA-N 2 0 283.460 1.953 10 0 CDAERP C[C@H](C(=O)N1CC[N@H+](C2CCCC2)[C@H](C)C1)[NH+](C)C ZINC001347813113 965706827 /nfs/dbraw/zinc/70/68/27/965706827.db2.gz FPSHSHPPWXSJGD-CHWSQXEVSA-N 2 0 267.417 1.412 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC001444860258 965976913 /nfs/dbraw/zinc/97/69/13/965976913.db2.gz VSFYMBZGOUMYBK-GJZGRUSLSA-N 2 0 283.460 1.907 10 0 CDAERP Cc1ncoc1C[NH2+]C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001445387196 966183145 /nfs/dbraw/zinc/18/31/45/966183145.db2.gz FABXOJPHTNZBJX-LLVKDONJSA-N 2 0 294.399 1.062 10 0 CDAERP CC1CC(C[NH2+]C[C@@H]2CCCN2C(=O)CC[NH+](C)C)C1 ZINC001446450137 966547705 /nfs/dbraw/zinc/54/77/05/966547705.db2.gz ZFUQBEIWWHKLDP-NRXISQOPSA-N 2 0 281.444 1.565 10 0 CDAERP C[NH+](C)CCC(=O)NCC1(C)CC[NH+](CC2CCC2)CC1 ZINC001446649938 966606294 /nfs/dbraw/zinc/60/62/94/966606294.db2.gz LVNGSCLNEDRMJD-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001447370618 966770737 /nfs/dbraw/zinc/77/07/37/966770737.db2.gz GGKIPIDPUOBTET-HOTGVXAUSA-N 2 0 295.471 1.909 10 0 CDAERP CC(C)CC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001447567531 966819590 /nfs/dbraw/zinc/81/95/90/966819590.db2.gz HFSTWONOBIEOBH-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@@]12CCC[C@@H]1[N@H+](CC1CC1)CC2 ZINC001449006748 967332443 /nfs/dbraw/zinc/33/24/43/967332443.db2.gz GRRCCBOIGPTARW-DOTOQJQBSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@H]1C[C@H]([NH2+]Cc2cncs2)CN1C(=O)CC[NH+](C)C ZINC001449017048 967333165 /nfs/dbraw/zinc/33/31/65/967333165.db2.gz IKERJKVMUXMBIE-RYUDHWBXSA-N 2 0 296.440 1.174 10 0 CDAERP CCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC)C1 ZINC001456156413 968876499 /nfs/dbraw/zinc/87/64/99/968876499.db2.gz BPFMHJOONJAAKV-LSDHHAIUSA-N 2 0 281.444 1.851 10 0 CDAERP CN1CCC[C@@H]([N@@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)C1=O ZINC001414055344 969897980 /nfs/dbraw/zinc/89/79/80/969897980.db2.gz AZHAVDUNHISACA-OIISXLGYSA-N 2 0 291.439 1.415 10 0 CDAERP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001466146611 969928437 /nfs/dbraw/zinc/92/84/37/969928437.db2.gz QONULPIEPOCPEH-HIFRSBDPSA-N 2 0 299.434 1.609 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@H](C[NH2+]CC2CCCC2)C1 ZINC001371608432 972565748 /nfs/dbraw/zinc/56/57/48/972565748.db2.gz RVIFRRAYTBPFSQ-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP CC[C@@H](C(=O)NC[C@@H]1CN(CC=C(C)C)CCO1)[NH+](C)C ZINC001495873746 972679897 /nfs/dbraw/zinc/67/98/97/972679897.db2.gz ZTYMZYMLZUIXJO-CABCVRRESA-N 2 0 297.443 1.110 10 0 CDAERP CCC[N@H+](C)CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001372109528 972792803 /nfs/dbraw/zinc/79/28/03/972792803.db2.gz OHYYJRLRRIDBBR-OAHLLOKOSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001496136006 972811482 /nfs/dbraw/zinc/81/14/82/972811482.db2.gz BYTORQAIFIDNJB-OLZOCXBDSA-N 2 0 255.406 1.316 10 0 CDAERP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH+]2CCCC2)o1 ZINC001417601622 973184706 /nfs/dbraw/zinc/18/47/06/973184706.db2.gz REOOWARVKQVFRY-UHFFFAOYSA-N 2 0 291.395 1.701 10 0 CDAERP C[C@H](CC[NH2+]C/C=C/Cl)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001497321926 973286640 /nfs/dbraw/zinc/28/66/40/973286640.db2.gz IEQBGLOXZIJNDQ-ZBWCZXCSSA-N 2 0 273.808 1.175 10 0 CDAERP CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001497579077 973419991 /nfs/dbraw/zinc/41/99/91/973419991.db2.gz LMMCWOPRLUDRBL-GXMNPTEKSA-N 2 0 267.417 1.531 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001418064456 973563068 /nfs/dbraw/zinc/56/30/68/973563068.db2.gz MTAAHNNJGYGGLC-MRVWCRGKSA-N 2 0 285.407 1.313 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC1CCC1 ZINC001497992619 973603338 /nfs/dbraw/zinc/60/33/38/973603338.db2.gz HBDOSXZMYPLKRJ-UKRRQHHQSA-N 2 0 281.444 1.755 10 0 CDAERP CCCC[NH2+]C[C@@]1(C)CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001569681196 1169965858 /nfs/dbraw/zinc/96/58/58/1169965858.db2.gz GPNIYXCIZMTAQY-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CC1CC1 ZINC001418395323 973793842 /nfs/dbraw/zinc/79/38/42/973793842.db2.gz HYQLXIMSCZLCEE-UKRRQHHQSA-N 2 0 281.444 1.754 10 0 CDAERP C[C@H](C[NH2+]Cc1ccsc1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001374329194 973893302 /nfs/dbraw/zinc/89/33/02/973893302.db2.gz XKBMFZRBPGJMQW-OCCSQVGLSA-N 2 0 295.452 1.636 10 0 CDAERP CC(C)[NH2+]CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001498605670 973997177 /nfs/dbraw/zinc/99/71/77/973997177.db2.gz BNORAAWARYLGJK-UHFFFAOYSA-N 2 0 255.406 1.175 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001374897295 974170548 /nfs/dbraw/zinc/17/05/48/974170548.db2.gz CSPSKZYMXIAUGE-IHRRRGAJSA-N 2 0 271.449 1.713 10 0 CDAERP C[C@@H](C[NH2+]CC1CC(C)C1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001374925750 974182796 /nfs/dbraw/zinc/18/27/96/974182796.db2.gz FBHKBEHDEZVQKJ-ABSNHQIMSA-N 2 0 295.471 1.857 10 0 CDAERP C[C@H](O)C[NH+]1CCC(C)(NC(=O)CCCC[NH+](C)C)CC1 ZINC001500005732 974349835 /nfs/dbraw/zinc/34/98/35/974349835.db2.gz JBKBCTQLXYQQPK-AWEZNQCLSA-N 2 0 299.459 1.070 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NCC2([NH2+]CC3CCCC3)CC2)C1 ZINC001375490551 974403181 /nfs/dbraw/zinc/40/31/81/974403181.db2.gz LCCIIHBBKFPILB-CQSZACIVSA-N 2 0 293.455 1.757 10 0 CDAERP CCCC[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001500258575 974411818 /nfs/dbraw/zinc/41/18/18/974411818.db2.gz VCAUCIBNWQLLBG-GDBMZVCRSA-N 2 0 281.444 1.709 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@](C)(C[NH2+]CCCF)C1 ZINC001500368127 974428928 /nfs/dbraw/zinc/42/89/28/974428928.db2.gz OUKPOXDSYBIZLM-HIFRSBDPSA-N 2 0 285.407 1.268 10 0 CDAERP CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001500397352 974432106 /nfs/dbraw/zinc/43/21/06/974432106.db2.gz UPVLDIPRPWHWGN-ZBFHGGJFSA-N 2 0 283.460 1.811 10 0 CDAERP CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001500397349 974432320 /nfs/dbraw/zinc/43/23/20/974432320.db2.gz UPVLDIPRPWHWGN-GDBMZVCRSA-N 2 0 283.460 1.811 10 0 CDAERP COC[C@@H](C)[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001376330344 974632508 /nfs/dbraw/zinc/63/25/08/974632508.db2.gz NXRUXDUGXUAQKX-KGLIPLIRSA-N 2 0 297.443 1.086 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001376479751 974671667 /nfs/dbraw/zinc/67/16/67/974671667.db2.gz SKLISOIPQFGMEO-RQJABVFESA-N 2 0 285.407 1.313 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001376568753 974688037 /nfs/dbraw/zinc/68/80/37/974688037.db2.gz JNUOARHHLDIPRE-LSDHHAIUSA-N 2 0 299.434 1.659 10 0 CDAERP CC[C@H](F)C[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CCC1 ZINC001376775767 974764153 /nfs/dbraw/zinc/76/41/53/974764153.db2.gz RPJOEILYOVYQTD-KGLIPLIRSA-N 2 0 299.434 1.705 10 0 CDAERP CC(C)C[NH2+][C@H](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001377019476 974855218 /nfs/dbraw/zinc/85/52/18/974855218.db2.gz AFZYRICVJOYNCZ-HIFRSBDPSA-N 2 0 281.444 1.469 10 0 CDAERP CCc1nocc1C[NH2+][C@@H](C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001505684397 974962103 /nfs/dbraw/zinc/96/21/03/974962103.db2.gz AWLKDBMLXHIXGA-RYUDHWBXSA-N 2 0 296.415 1.172 10 0 CDAERP CC(C)CCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001506057255 975101558 /nfs/dbraw/zinc/10/15/58/975101558.db2.gz XZKINUIZISTIOY-CABCVRRESA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)CC1CCCC1 ZINC001506065462 975106623 /nfs/dbraw/zinc/10/66/23/975106623.db2.gz PJAQSKHURAAFIH-CQSZACIVSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H]([NH2+]CC1CC(C)(C)C1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001377843328 975152493 /nfs/dbraw/zinc/15/24/93/975152493.db2.gz AWDZACQAVCUJPX-OLZOCXBDSA-N 2 0 283.460 1.857 10 0 CDAERP COCC[NH2+]CC1(NC(=O)C[N@H+](C)C(C)C)CCCCC1 ZINC001506527479 975174779 /nfs/dbraw/zinc/17/47/79/975174779.db2.gz ASKTWVNDKOIBSK-UHFFFAOYSA-N 2 0 299.459 1.382 10 0 CDAERP CC[C@@H](F)C[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001506750525 975216005 /nfs/dbraw/zinc/21/60/05/975216005.db2.gz ZPKCDJAMTROHKH-OLZOCXBDSA-N 2 0 287.423 1.513 10 0 CDAERP CC(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001506807274 975225511 /nfs/dbraw/zinc/22/55/11/975225511.db2.gz AIIMPYYEXMQWMC-YHUYYLMFSA-N 2 0 293.455 1.278 10 0 CDAERP C[C@H](CCC[NH2+]CC1CC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001506952197 975271223 /nfs/dbraw/zinc/27/12/23/975271223.db2.gz UPQFMALXSDQLLF-OCCSQVGLSA-N 2 0 267.417 1.223 10 0 CDAERP CN(C(=O)CC[C@H]1CCC[N@@H+]1C)[C@@H](C[NH2+]CCF)C1CC1 ZINC001507011326 975294624 /nfs/dbraw/zinc/29/46/24/975294624.db2.gz LZTSXZIRNYMHLM-CABCVRRESA-N 2 0 299.434 1.657 10 0 CDAERP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]C/C=C/Cl ZINC001507156591 975357801 /nfs/dbraw/zinc/35/78/01/975357801.db2.gz ZFIDEBYKSLXXEN-BTDICHCPSA-N 2 0 273.808 1.271 10 0 CDAERP C[C@@H]([NH2+]CCF)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001404397994 975381319 /nfs/dbraw/zinc/38/13/19/975381319.db2.gz HBCJBPHXXWIBBP-CYBMUJFWSA-N 2 0 285.407 1.268 10 0 CDAERP CCCN(C(=O)C[NH+]1CC[C@H](C)C1)[C@H]1CC[N@H+](CC)C1 ZINC001404427704 975387571 /nfs/dbraw/zinc/38/75/71/975387571.db2.gz NJJXFSWTEPNQGK-GJZGRUSLSA-N 2 0 281.444 1.661 10 0 CDAERP CC(C)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]1C ZINC001507298115 975404246 /nfs/dbraw/zinc/40/42/46/975404246.db2.gz PMSVZFKHPUQHNQ-KGLIPLIRSA-N 2 0 269.433 1.562 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+]Cc1cncc(F)c1 ZINC001378605198 975413750 /nfs/dbraw/zinc/41/37/50/975413750.db2.gz WSMPKFDLPWDOQH-GFCCVEGCSA-N 2 0 296.390 1.014 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N(C)C[C@@H]2CC[NH+]2CCCF)C1 ZINC001397008894 975435938 /nfs/dbraw/zinc/43/59/38/975435938.db2.gz DCDQEGFZQHVLFB-KBPBESRZSA-N 2 0 285.407 1.221 10 0 CDAERP C[C@H](C[NH2+]CC1CCCCC1)N(C)C(=O)CC[NH+](C)C ZINC001401247713 975543845 /nfs/dbraw/zinc/54/38/45/975543845.db2.gz OXABPOBBDPRSOA-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001379008449 975592630 /nfs/dbraw/zinc/59/26/30/975592630.db2.gz CJHYVUWGDRGTCT-LSDHHAIUSA-N 2 0 281.444 1.706 10 0 CDAERP CC(C)[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC[C@H](C)F ZINC001401349232 975603801 /nfs/dbraw/zinc/60/38/01/975603801.db2.gz KPYGYBVGNUNFNL-UONOGXRCSA-N 2 0 287.423 1.561 10 0 CDAERP CC[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]C[C@H](C)OC ZINC001405273544 975699623 /nfs/dbraw/zinc/69/96/23/975699623.db2.gz NGNXYMZAPYTOLC-KBPBESRZSA-N 2 0 299.459 1.380 10 0 CDAERP CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CC[C@@H](C)F ZINC001405301848 975709491 /nfs/dbraw/zinc/70/94/91/975709491.db2.gz ZRFPTMAFPQAAQB-OCCSQVGLSA-N 2 0 287.423 1.561 10 0 CDAERP C[C@H](CN(C)C(=O)C1CC[NH+](C)CC1)[NH2+]CC[C@H](C)F ZINC001379228304 975722900 /nfs/dbraw/zinc/72/29/00/975722900.db2.gz SPPVWBJOMDDCHL-QWHCGFSZSA-N 2 0 287.423 1.513 10 0 CDAERP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1ccc(F)cn1 ZINC001379230974 975724506 /nfs/dbraw/zinc/72/45/06/975724506.db2.gz WDYZWOGUHLPNJC-GFCCVEGCSA-N 2 0 296.390 1.109 10 0 CDAERP CC[C@H](C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C)OC ZINC001405611058 975783630 /nfs/dbraw/zinc/78/36/30/975783630.db2.gz XSQVEGXMMHUDKK-RBSFLKMASA-N 2 0 299.459 1.332 10 0 CDAERP C[C@H](C[N@H+](C)Cc1ccsc1)NC(=O)C[NH+]1CCCC1 ZINC001401799216 975925643 /nfs/dbraw/zinc/92/56/43/975925643.db2.gz GFKGQCLFSYUOOQ-CYBMUJFWSA-N 2 0 295.452 1.780 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccccc1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001379594719 975943254 /nfs/dbraw/zinc/94/32/54/975943254.db2.gz CNWJBAGWEGHKIH-ZFWWWQNUSA-N 2 0 275.396 1.233 10 0 CDAERP CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001398344331 975952913 /nfs/dbraw/zinc/95/29/13/975952913.db2.gz UEDYLCGRIVAZBJ-ZIAGYGMSSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001389956966 976062009 /nfs/dbraw/zinc/06/20/09/976062009.db2.gz IJXKUFDYIOCFBN-XQLPTFJDSA-N 2 0 299.434 1.846 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H]2C[N@H+](CCCF)CC[C@H]21 ZINC001398596871 976065410 /nfs/dbraw/zinc/06/54/10/976065410.db2.gz UEUQPYGSEYBNDW-HUUCEWRRSA-N 2 0 299.434 1.611 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001390010342 976084829 /nfs/dbraw/zinc/08/48/29/976084829.db2.gz YKODFIGNRJRPRG-AHWSKYQCSA-N 2 0 273.808 1.318 10 0 CDAERP CC(C)[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001402214930 976183322 /nfs/dbraw/zinc/18/33/22/976183322.db2.gz SZLQZUVKXWQXOS-GOEBONIOSA-N 2 0 281.444 1.707 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CC(C)(C)C2)CC1 ZINC001380067142 976227509 /nfs/dbraw/zinc/22/75/09/976227509.db2.gz KLXLHZXHZVLHQG-AWEZNQCLSA-N 2 0 293.455 1.755 10 0 CDAERP CC(C)CC[NH2+]C1CC(N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001380175049 976278848 /nfs/dbraw/zinc/27/88/48/976278848.db2.gz IKAFRXDUFCRZAG-UHFFFAOYSA-N 2 0 283.460 1.952 10 0 CDAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CCC(F)(F)F ZINC001390503293 976338581 /nfs/dbraw/zinc/33/85/81/976338581.db2.gz DTZKFZRXPSOHBQ-SNVBAGLBSA-N 2 0 293.333 1.129 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1cccc(F)c1 ZINC001390536186 976356592 /nfs/dbraw/zinc/35/65/92/976356592.db2.gz RFYPUBOOYYPUDH-CYBMUJFWSA-N 2 0 295.402 1.760 10 0 CDAERP CC1(CNC(=O)C23CC[NH+](CC2)C3)CC[NH+](CCF)CC1 ZINC001380453361 976421124 /nfs/dbraw/zinc/42/11/24/976421124.db2.gz DGDSNKBGBUSGFC-UHFFFAOYSA-N 2 0 297.418 1.270 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001402702579 976448034 /nfs/dbraw/zinc/44/80/34/976448034.db2.gz SLWQXHPLLBNGAD-BZUAXINKSA-N 2 0 295.471 1.811 10 0 CDAERP COC[C@H](C)[NH2+][C@H](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001399405559 976466246 /nfs/dbraw/zinc/46/62/46/976466246.db2.gz ZUZUPYIBCASPMB-KGLIPLIRSA-N 2 0 299.459 1.380 10 0 CDAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CCC(C)(C)C ZINC001402802025 976485849 /nfs/dbraw/zinc/48/58/49/976485849.db2.gz ZYPUYHBENAJDAR-UONOGXRCSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)(C(=O)NCC1([NH2+]C/C=C\Cl)CC1)[NH+]1CCCC1 ZINC001406954455 976489792 /nfs/dbraw/zinc/48/97/92/976489792.db2.gz NZOVTUYBEJJDSB-YVMONPNESA-N 2 0 299.846 1.852 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001390767388 976492933 /nfs/dbraw/zinc/49/29/33/976492933.db2.gz XGJUHJWJKWBUTN-LBPRGKRZSA-N 2 0 273.396 1.267 10 0 CDAERP O=C(NCC1([NH2+]CCF)CC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001406982028 976504537 /nfs/dbraw/zinc/50/45/37/976504537.db2.gz ZZRYXRXRHUORCQ-OLZOCXBDSA-N 2 0 283.391 1.211 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@]1(C)CCC[NH+](CC2CC2)C1 ZINC001407305134 976632001 /nfs/dbraw/zinc/63/20/01/976632001.db2.gz QKQAPNHWTVUXHT-KRWDZBQOSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[N@H+](C)CCCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001380981284 976637109 /nfs/dbraw/zinc/63/71/09/976637109.db2.gz GPKXKEKVGKIDMV-OAHLLOKOSA-N 2 0 283.460 1.765 10 0 CDAERP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC[N@H+]1CC[C@@H](C)F ZINC001399903164 976735300 /nfs/dbraw/zinc/73/53/00/976735300.db2.gz VOVSASOJLGIFAK-ZIAGYGMSSA-N 2 0 287.423 1.655 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001399913175 976740885 /nfs/dbraw/zinc/74/08/85/976740885.db2.gz CTQLJEZZLABPRH-CQSZACIVSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CCCF)CC1 ZINC001407880660 976810740 /nfs/dbraw/zinc/81/07/40/976810740.db2.gz GHKMMJGJCNIYOD-AWEZNQCLSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)C[N@@H+]1C[C@H](NC(=O)C[NH+](C)C2CCC2)C(C)(C)C1 ZINC001403354378 976904006 /nfs/dbraw/zinc/90/40/06/976904006.db2.gz DMZWOIXQOLOHTR-HNNXBMFYSA-N 2 0 295.471 1.953 10 0 CDAERP CCC[N@@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001403388976 976926452 /nfs/dbraw/zinc/92/64/52/976926452.db2.gz YWGHUCYYDHABKH-ZDUSSCGKSA-N 2 0 281.444 1.565 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC[C@H](C)F ZINC001391537953 976942490 /nfs/dbraw/zinc/94/24/90/976942490.db2.gz VRAHZOBLGRBCGM-KKUMJFAQSA-N 2 0 299.434 1.752 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)CC[C@@H]1CCOC1 ZINC001381642652 976965827 /nfs/dbraw/zinc/96/58/27/976965827.db2.gz HLLUJZGFVMFUBE-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP CC[N@H+](C)CCC(=O)NC1(C[NH2+]C[C@@H](C)O)CCCCC1 ZINC001381741419 976995689 /nfs/dbraw/zinc/99/56/89/976995689.db2.gz ZDWBBXUPTCBNDG-CQSZACIVSA-N 2 0 299.459 1.118 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C)C1C[NH+](C(C)C)C1)[NH+](CC)CC ZINC001381825918 977042895 /nfs/dbraw/zinc/04/28/95/977042895.db2.gz UIHOCVWRBNYJIS-ZFWWWQNUSA-N 2 0 283.460 1.952 10 0 CDAERP CC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)[NH2+]Cc1cnc(C)o1 ZINC001391721832 977065737 /nfs/dbraw/zinc/06/57/37/977065737.db2.gz PAIHXPMOSPNTOC-OCCSQVGLSA-N 2 0 296.415 1.308 10 0 CDAERP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cc(C)ns1 ZINC001391719718 977067198 /nfs/dbraw/zinc/06/71/98/977067198.db2.gz JAUDRRXOSGKBTO-GFCCVEGCSA-N 2 0 298.456 1.388 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC1CC(C)(C)C1 ZINC001391749735 977082286 /nfs/dbraw/zinc/08/22/86/977082286.db2.gz ZXUDURCCAZPPLQ-LSDHHAIUSA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@H+](C)C(C)C ZINC001382045820 977134325 /nfs/dbraw/zinc/13/43/25/977134325.db2.gz YCYIANSUUZELPE-OAHLLOKOSA-N 2 0 283.460 1.809 10 0 CDAERP CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccsc1)[NH+](C)C ZINC001391925680 977152387 /nfs/dbraw/zinc/15/23/87/977152387.db2.gz ACSDADFFXCIZBI-JSGCOSHPSA-N 2 0 297.468 1.930 10 0 CDAERP Cc1ncoc1C[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001403729585 977163750 /nfs/dbraw/zinc/16/37/50/977163750.db2.gz AHYRDUTWOXYUNN-WCQYABFASA-N 2 0 294.399 1.014 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC1CCCC1 ZINC001403848035 977226010 /nfs/dbraw/zinc/22/60/10/977226010.db2.gz HBPAVPDZRKIALJ-GDBMZVCRSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCC(C)C)[NH+](C)C ZINC001392716936 977569605 /nfs/dbraw/zinc/56/96/05/977569605.db2.gz HMPOOEWIDOCYKQ-UONOGXRCSA-N 2 0 271.449 1.809 10 0 CDAERP CCC(CC)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001392732113 977576545 /nfs/dbraw/zinc/57/65/45/977576545.db2.gz YXKAJMHNSKDNGC-UKRRQHHQSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@@H](F)CC[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001392907091 977648832 /nfs/dbraw/zinc/64/88/32/977648832.db2.gz HDVOOPKVDBJCGJ-ZIAGYGMSSA-N 2 0 299.434 1.847 10 0 CDAERP COC[C@@H](C)[NH2+]C1(CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001392963787 977663919 /nfs/dbraw/zinc/66/39/19/977663919.db2.gz JXAZKXHIFDZWNV-CQSZACIVSA-N 2 0 297.443 1.136 10 0 CDAERP CC[N@@H+]1C[C@@]2(C)CN(C(=O)CCC[NH+](C)C)C[C@@]2(C)C1 ZINC001394357886 978140276 /nfs/dbraw/zinc/14/02/76/978140276.db2.gz PXLDKDADRLFSIU-IYBDPMFKSA-N 2 0 281.444 1.519 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccsc1 ZINC001394559599 978201937 /nfs/dbraw/zinc/20/19/37/978201937.db2.gz NHFFMCBEZLZCNV-JSGCOSHPSA-N 2 0 295.452 1.636 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC2(C[NH2+]CCF)CCCCC2)C1 ZINC001675201237 1174082571 /nfs/dbraw/zinc/08/25/71/1174082571.db2.gz GNHVSWOXKWPVOY-CQSZACIVSA-N 2 0 299.434 1.706 10 0 CDAERP CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001676215568 1174194340 /nfs/dbraw/zinc/19/43/40/1174194340.db2.gz NPNPIBUSZBSYCT-YUELXQCFSA-N 2 0 281.444 1.563 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CCCF ZINC001570653814 1170223825 /nfs/dbraw/zinc/22/38/25/1170223825.db2.gz WJQAJFYWJYRIOS-VXGBXAGGSA-N 2 0 261.385 1.169 10 0 CDAERP CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001571590900 1170485316 /nfs/dbraw/zinc/48/53/16/1170485316.db2.gz CHUUUNRQPDKHFZ-HUUCEWRRSA-N 2 0 299.459 1.068 10 0 CDAERP CC[C@@H](C(=O)N1CCCCC[C@@H]([NH2+]CCOC)C1)[NH+](C)C ZINC001656899502 1171895304 /nfs/dbraw/zinc/89/53/04/1171895304.db2.gz PWLDKQBTFZIRHJ-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000601270419 342547717 /nfs/dbraw/zinc/54/77/17/342547717.db2.gz QPOVKMCTRBVOFR-KGLIPLIRSA-N 2 0 282.432 1.254 10 0 CDAERP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000650745243 398173046 /nfs/dbraw/zinc/17/30/46/398173046.db2.gz CDDHSKGALQKNBT-NSHDSACASA-N 2 0 297.424 1.114 10 0 CDAERP [NH3+]CCN1CC[NH2+][C@H](c2ccc3ncccc3c2)C1 ZINC000616634807 342120786 /nfs/dbraw/zinc/12/07/86/342120786.db2.gz ZDMPFZQRWQFVGD-HNNXBMFYSA-N 2 0 256.353 1.140 10 0 CDAERP [NH3+]CCN1CC[NH2+]C[C@@H]1c1cccc2cccnc21 ZINC000616636603 342121169 /nfs/dbraw/zinc/12/11/69/342121169.db2.gz MLFNZKPPXYEEIL-CQSZACIVSA-N 2 0 256.353 1.140 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](CCC(=O)NC(C)C)CC1 ZINC000047978773 342150606 /nfs/dbraw/zinc/15/06/06/342150606.db2.gz CTMLIZYBZBOUQB-UHFFFAOYSA-N 2 0 283.460 1.955 10 0 CDAERP O=C(CC[C@@H]1CCC[NH2+]C1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000621657999 342153281 /nfs/dbraw/zinc/15/32/81/342153281.db2.gz ZMAVNFMCCDZIOD-HOCLYGCPSA-N 2 0 279.428 1.368 10 0 CDAERP CCO[C@H](C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1)C1CC1 ZINC000625446817 342167246 /nfs/dbraw/zinc/16/72/46/342167246.db2.gz UCJVEKUBSCMXEK-CABCVRRESA-N 2 0 252.402 1.829 10 0 CDAERP C[C@@H](CC(=O)N1CCCCCC1)[NH2+]CC1([NH3+])CCOCC1 ZINC000629388590 361906266 /nfs/dbraw/zinc/90/62/66/361906266.db2.gz PTGCDJGDLXUWPC-AWEZNQCLSA-N 2 0 297.443 1.265 10 0 CDAERP [NH3+]C1(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)CCOCC1 ZINC000629388610 361906327 /nfs/dbraw/zinc/90/63/27/361906327.db2.gz PYPVXCKWJMAQAX-AWEZNQCLSA-N 2 0 280.799 1.905 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1cnc(C2CC2)s1 ZINC000629399004 361921022 /nfs/dbraw/zinc/92/10/22/361921022.db2.gz ABZCNXGXIOVEMF-UHFFFAOYSA-N 2 0 255.387 1.476 10 0 CDAERP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CCOCCC[NH3+])c1 ZINC000629398162 361929856 /nfs/dbraw/zinc/92/98/56/361929856.db2.gz NUDSHNUHWGWUCZ-CQSZACIVSA-N 2 0 293.411 1.667 10 0 CDAERP COc1ccc(OC)c(C[NH2+]CCOCCC[NH3+])c1 ZINC000629398716 361931398 /nfs/dbraw/zinc/93/13/98/361931398.db2.gz XVJFXJGQAIACGP-UHFFFAOYSA-N 2 0 268.357 1.159 10 0 CDAERP CCOC(=O)CCCC[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000593735047 342830873 /nfs/dbraw/zinc/83/08/73/342830873.db2.gz WFFCFAXWFQKTQQ-CHWSQXEVSA-N 2 0 272.389 1.015 10 0 CDAERP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCOCCC[NH3+])CC1 ZINC000629400348 361938104 /nfs/dbraw/zinc/93/81/04/361938104.db2.gz VAVWZCMAOGELHN-NVXWUHKLSA-N 3 0 297.487 1.985 10 0 CDAERP C[C@@H](O)CC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000450708583 361955135 /nfs/dbraw/zinc/95/51/35/361955135.db2.gz NLRDFBIFGADAOL-OAHLLOKOSA-N 2 0 284.444 1.582 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000629406859 361949566 /nfs/dbraw/zinc/94/95/66/361949566.db2.gz ZKZYURRUSXSLKD-NVXWUHKLSA-N 2 0 291.439 1.333 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418407816 539074655 /nfs/dbraw/zinc/07/46/55/539074655.db2.gz MBWNSWYKGJDYBD-RRFJBIMHSA-N 2 0 290.411 1.503 10 0 CDAERP COC(=O)c1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)[nH]1 ZINC000594612690 342927579 /nfs/dbraw/zinc/92/75/79/342927579.db2.gz FRDNCYMYGJABAD-KLPPZKSPSA-N 2 0 265.357 1.231 10 0 CDAERP CCOC(=O)C1([C@@H](C)[NH2+]CC2(COC)CC2)CC[NH2+]CC1 ZINC000594585131 342921492 /nfs/dbraw/zinc/92/14/92/342921492.db2.gz NWHRCIZTCUEXOU-CYBMUJFWSA-N 2 0 298.427 1.324 10 0 CDAERP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000246809771 282185486 /nfs/dbraw/zinc/18/54/86/282185486.db2.gz BPPCHVQYSAKQHC-KBXIAJHMSA-N 2 0 279.428 1.460 10 0 CDAERP CCC(CC)(C[NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000261651939 534928458 /nfs/dbraw/zinc/92/84/58/534928458.db2.gz FMGNDGZJZBAOAV-ZDUSSCGKSA-N 2 0 267.417 1.447 10 0 CDAERP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000594921802 342987439 /nfs/dbraw/zinc/98/74/39/342987439.db2.gz UIYJBPSYEPVIMY-FPMFFAJLSA-N 2 0 268.401 1.646 10 0 CDAERP CSCC[C@H]([NH3+])C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595935038 343184744 /nfs/dbraw/zinc/18/47/44/343184744.db2.gz QVWREGFXJCCDCG-KBPBESRZSA-N 2 0 299.484 1.305 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000629514889 362129792 /nfs/dbraw/zinc/12/97/92/362129792.db2.gz VCAYWLMVESVCMP-CWRNSKLLSA-N 2 0 260.381 1.845 10 0 CDAERP CCOC(=O)CC[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595900923 343186539 /nfs/dbraw/zinc/18/65/39/343186539.db2.gz PDGXTTJJYROWBA-AWEZNQCLSA-N 2 0 268.401 1.651 10 0 CDAERP COC(=O)CC[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595901482 343187126 /nfs/dbraw/zinc/18/71/26/343187126.db2.gz WVNPIGFCRVKOMT-ZDUSSCGKSA-N 2 0 254.374 1.261 10 0 CDAERP COCC[C@@H]1CCC[C@@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000629522285 362141994 /nfs/dbraw/zinc/14/19/94/362141994.db2.gz ZECUKBPHNXWKAK-STQMWFEESA-N 2 0 256.390 1.289 10 0 CDAERP COCC[C@H]1CCC[C@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000629522282 362142014 /nfs/dbraw/zinc/14/20/14/362142014.db2.gz ZECUKBPHNXWKAK-CHWSQXEVSA-N 2 0 256.390 1.289 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)C[C@H]1C ZINC000596110765 343229896 /nfs/dbraw/zinc/22/98/96/343229896.db2.gz UHDADPLMMSAMKL-AYVTUFRQSA-N 2 0 280.412 1.696 10 0 CDAERP CC(C)[C@@H](Cn1cccn1)[NH2+]CC1([NH3+])CCOCC1 ZINC000629519936 362140161 /nfs/dbraw/zinc/14/01/61/362140161.db2.gz IYSRHNULBKBTQX-CYBMUJFWSA-N 2 0 266.389 1.005 10 0 CDAERP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC[C@@H]([NH3+])C(C)C)[C@H]1C ZINC000596655729 343364135 /nfs/dbraw/zinc/36/41/35/343364135.db2.gz YBFWWQXRHPOJRO-FQUUOJAGSA-N 2 0 270.417 1.927 10 0 CDAERP O[C@@H]1CC[C@H]2CC[N@H+](CCC[NH+]3CCCCC3)[C@@H]12 ZINC000626140042 342416341 /nfs/dbraw/zinc/41/63/41/342416341.db2.gz KYCZGPKTVCMONQ-RRFJBIMHSA-N 2 0 252.402 1.708 10 0 CDAERP CCCC[N@H+](C)CCNc1nc(N)[nH+]c2c1CCCC2 ZINC000645169633 362207111 /nfs/dbraw/zinc/20/71/11/362207111.db2.gz MWDBJKVEUOSUTG-UHFFFAOYSA-N 2 0 277.416 1.334 10 0 CDAERP Cc1ccc([C@H](C)NC[C@@H](O)C[N@H+](C)C2CC2)o1 ZINC000289612306 362426029 /nfs/dbraw/zinc/42/60/29/362426029.db2.gz UKIJHPSPDXWGAW-WCQYABFASA-N 2 0 252.358 1.694 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC000635727089 362462145 /nfs/dbraw/zinc/46/21/45/362462145.db2.gz GIVPCVGNKSEJEB-HUUCEWRRSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000623066952 344645670 /nfs/dbraw/zinc/64/56/70/344645670.db2.gz UNIMNBSXTHYYRY-WFASDCNBSA-N 2 0 290.411 1.868 10 0 CDAERP CC(C)[NH+]1CCN(C(=O)CC2([NH3+])CCCCC2)CC1 ZINC000084164710 178811608 /nfs/dbraw/zinc/81/16/08/178811608.db2.gz MXLVINAPYHJJDO-UHFFFAOYSA-N 2 0 267.417 1.591 10 0 CDAERP CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@H+](C)C1 ZINC000617554902 345850707 /nfs/dbraw/zinc/85/07/07/345850707.db2.gz LZQWEYCNVAFKDV-MRXNPFEDSA-N 2 0 289.423 1.914 10 0 CDAERP c1cc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000623754160 345980309 /nfs/dbraw/zinc/98/03/09/345980309.db2.gz KHIDAHYTLLIOHU-XJKSGUPXSA-N 2 0 284.363 1.924 10 0 CDAERP CN(CC[NH+]1CCCC1)Cc1cc(F)ccc1C[NH3+] ZINC000085148071 178958065 /nfs/dbraw/zinc/95/80/65/178958065.db2.gz AHSPCCZSEUYXGP-UHFFFAOYSA-N 2 0 265.376 1.812 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCNC(=O)C(C)(C)C)CC1(C)C ZINC000623404992 346182178 /nfs/dbraw/zinc/18/21/78/346182178.db2.gz TVTBZIBMCISSDN-LBPRGKRZSA-N 2 0 269.433 1.611 10 0 CDAERP C[N@H+](CCCC[C@](C)(O)C[NH3+])C[C@@H]1CCCOC1 ZINC000085302595 179011403 /nfs/dbraw/zinc/01/14/03/179011403.db2.gz SHCHZTQGJIIKGX-KBPBESRZSA-N 2 0 258.406 1.225 10 0 CDAERP [NH3+][C@H]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000085369329 179039413 /nfs/dbraw/zinc/03/94/13/179039413.db2.gz FEWCJAQIIVSGDM-IHRRRGAJSA-N 2 0 265.401 1.201 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000085369739 179039816 /nfs/dbraw/zinc/03/98/16/179039816.db2.gz KNLRNYWVRKBJRS-KBPBESRZSA-N 2 0 267.417 1.447 10 0 CDAERP C[NH+](C)C[C@@H](NC(=O)[C@H]1CCCC[C@@H]1[NH3+])c1ccccc1 ZINC000085370823 179040911 /nfs/dbraw/zinc/04/09/11/179040911.db2.gz XCMPYJLPWKGTKH-HRCADAONSA-N 2 0 289.423 1.923 10 0 CDAERP CC(C)[C@H](CNC(=O)[C@H]1CCCC[C@@H]1[NH3+])[NH+](C)C ZINC000085370907 179041246 /nfs/dbraw/zinc/04/12/46/179041246.db2.gz GFRWBFMDQAKMRV-AVGNSLFASA-N 2 0 255.406 1.206 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000230711206 482558304 /nfs/dbraw/zinc/55/83/04/482558304.db2.gz FOPXGEVIHNYZOV-OLZOCXBDSA-N 2 0 255.406 1.162 10 0 CDAERP CS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000085376807 179044760 /nfs/dbraw/zinc/04/47/60/179044760.db2.gz RPUDVVNILSDADW-HIFRSBDPSA-N 2 0 296.436 1.697 10 0 CDAERP CC(C)c1nc2c(n1CC[N@H+](C)C1CC1)CC[NH2+]C2 ZINC000085572189 179096864 /nfs/dbraw/zinc/09/68/64/179096864.db2.gz VKOLXOIDPUOXOF-UHFFFAOYSA-N 2 0 262.401 1.746 10 0 CDAERP CCCc1nc2c(n1C[C@@H]1CCCC[N@@H+]1C)CC[NH2+]C2 ZINC000085572832 179098253 /nfs/dbraw/zinc/09/82/53/179098253.db2.gz VGRMVFVKQNBWHC-ZDUSSCGKSA-N 2 0 276.428 1.966 10 0 CDAERP CC(C)(C)[C@H]1C[N@H+](CCn2cccn2)CCC[NH2+]1 ZINC000085613809 179102694 /nfs/dbraw/zinc/10/26/94/179102694.db2.gz RACNPQVHCBWEFO-CYBMUJFWSA-N 2 0 250.390 1.593 10 0 CDAERP COCCOCC[N@@H+]1CCC[NH2+]C2(CCCC2)C1 ZINC000085612668 179102959 /nfs/dbraw/zinc/10/29/59/179102959.db2.gz XJMUAQLSJNDSSY-UHFFFAOYSA-N 2 0 256.390 1.258 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000227459508 346529104 /nfs/dbraw/zinc/52/91/04/346529104.db2.gz IVDDSZQTBGYRQK-MGPQQGTHSA-N 2 0 267.417 1.221 10 0 CDAERP C[NH2+]C1CCN(C(=O)[C@@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000669521568 482570493 /nfs/dbraw/zinc/57/04/93/482570493.db2.gz HWXGJVCYWSCJRY-ZDUSSCGKSA-N 2 0 281.787 1.550 10 0 CDAERP CCC[NH2+][C@@H](CCO)CN(CCC)CC[NH+](C)C ZINC000085922585 179201370 /nfs/dbraw/zinc/20/13/70/179201370.db2.gz VTXNRWMZCJNQJV-AWEZNQCLSA-N 2 0 259.438 1.011 10 0 CDAERP C[N@@H+]1CCC[C@@H](N2CC[NH2+][C@@](C)(c3ccccc3)C2)C1 ZINC000086142254 179237381 /nfs/dbraw/zinc/23/73/81/179237381.db2.gz CVGFFPKVWURWMC-IAGOWNOFSA-N 2 0 273.424 1.901 10 0 CDAERP CC[C@H]1C[NH2+][C@H](C2CC2)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086259624 179258283 /nfs/dbraw/zinc/25/82/83/179258283.db2.gz PIDRQHLRXZCVSB-IMJJTQAJSA-N 2 0 263.429 1.686 10 0 CDAERP CCO[C@@H]1COCC[C@H]1[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623492160 347603219 /nfs/dbraw/zinc/60/32/19/347603219.db2.gz NYLKEQMFTDHCRQ-MGPQQGTHSA-N 2 0 270.417 1.643 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCn3ccnc3C2)CC1(C)C ZINC000623497017 347605079 /nfs/dbraw/zinc/60/50/79/347605079.db2.gz UAJURPLMLHFBRB-STQMWFEESA-N 2 0 262.401 1.660 10 0 CDAERP C[N@@H+]1CC[C@H](N[C@@H]2CCC[NH+](CCCO)C2)CC1(C)C ZINC000623535751 347620354 /nfs/dbraw/zinc/62/03/54/347620354.db2.gz DPPMVNRSALEYRM-LSDHHAIUSA-N 2 0 283.460 1.296 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623562770 347634540 /nfs/dbraw/zinc/63/45/40/347634540.db2.gz BVXWLCMNADHNJU-JKSUJKDBSA-N 3 0 298.519 1.721 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CCN2CC=CCC2)CC1(C)C ZINC000623511169 347611496 /nfs/dbraw/zinc/61/14/96/347611496.db2.gz CLQOEQWMUXWFQR-CQSZACIVSA-N 2 0 251.418 1.711 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)CCO)[C@@H]2CCC[C@H]21 ZINC000375860266 290215901 /nfs/dbraw/zinc/21/59/01/290215901.db2.gz HMJHWYOTZGIKAB-MELADBBJSA-N 2 0 254.418 1.857 10 0 CDAERP Cc1cccc([C@H](C)[N@H+](C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000041088732 348705015 /nfs/dbraw/zinc/70/50/15/348705015.db2.gz NIJCXWDGMSIMQF-AWEZNQCLSA-N 2 0 275.396 1.420 10 0 CDAERP [NH3+]CCCC[NH+]1CCN(c2cccc3c2OCC3)CC1 ZINC000090609566 349318914 /nfs/dbraw/zinc/31/89/14/349318914.db2.gz DDWPNONHZCOXJF-UHFFFAOYSA-N 2 0 275.396 1.482 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000629536070 362949844 /nfs/dbraw/zinc/94/98/44/362949844.db2.gz DZJCZSYDFYFRPU-QLFBSQMISA-N 3 0 269.433 1.252 10 0 CDAERP C[NH+](C)CCC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CCO1 ZINC000620967359 350388918 /nfs/dbraw/zinc/38/89/18/350388918.db2.gz RPHHXGPHLNVMHE-CABCVRRESA-N 2 0 297.443 1.040 10 0 CDAERP C[C@@H]([NH2+]CCOCCC[NH3+])c1ccc2c(c1)OCO2 ZINC000629541127 362964819 /nfs/dbraw/zinc/96/48/19/362964819.db2.gz RFHKCSAORKEXKW-LLVKDONJSA-N 2 0 266.341 1.431 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000629541275 362965438 /nfs/dbraw/zinc/96/54/38/362965438.db2.gz YQOYYOLFRGQYDL-CQSZACIVSA-N 2 0 270.323 1.907 10 0 CDAERP CC[C@H]([NH3+])CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000641944004 366000235 /nfs/dbraw/zinc/00/02/35/366000235.db2.gz UGPRYRBPZSMPNN-MJBXVCDLSA-N 2 0 282.432 1.380 10 0 CDAERP CCn1nccc1CC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000621776572 350772833 /nfs/dbraw/zinc/77/28/33/350772833.db2.gz OXXRMZPPAZTDSN-MRXNPFEDSA-N 2 0 276.428 1.910 10 0 CDAERP CO[C@@H]1CC[C@@H]2OCC[N@H+](C[C@@H]3CC[NH2+][C@@H](C)C3)[C@@H]2C1 ZINC000414711406 366014320 /nfs/dbraw/zinc/01/43/20/366014320.db2.gz RJVYARWLRMXPFP-GCSSGZNBSA-N 2 0 282.428 1.643 10 0 CDAERP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3C[C@H](C(N)=O)C3)CC2)C1 ZINC000624130753 351433048 /nfs/dbraw/zinc/43/30/48/351433048.db2.gz YONHWPKQFCTBQI-XOUADPBQSA-N 2 0 293.455 1.883 10 0 CDAERP CCO[C@@H](C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1)C1CC1 ZINC000629592128 363079950 /nfs/dbraw/zinc/07/99/50/363079950.db2.gz PMQRDLSPEJXCCE-IRXDYDNUSA-N 2 0 296.455 1.892 10 0 CDAERP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634763592 358472455 /nfs/dbraw/zinc/47/24/55/358472455.db2.gz ZIGKMWPPQNZBIB-LBPRGKRZSA-N 2 0 290.411 1.656 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C[C@H]2[NH2+]Cc3ccccc32)C1 ZINC000659329578 412576561 /nfs/dbraw/zinc/57/65/61/412576561.db2.gz JXZPBRVGXSGCMW-IVMMDQJWSA-N 2 0 287.407 1.677 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629655175 363259836 /nfs/dbraw/zinc/25/98/36/363259836.db2.gz TZALFQKZMDAZBR-SRVKXCTJSA-N 2 0 281.366 1.819 10 0 CDAERP Cc1ccc(-c2n[nH]cc2C[NH2+]CCOCCC[NH3+])o1 ZINC000629660342 363265665 /nfs/dbraw/zinc/26/56/65/363265665.db2.gz RZWGQSLWRLKSSL-UHFFFAOYSA-N 2 0 278.356 1.433 10 0 CDAERP CCN1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CC1=O ZINC000453355498 363296711 /nfs/dbraw/zinc/29/67/11/363296711.db2.gz LOIJBYFWMHKLFU-RQJABVFESA-N 2 0 265.401 1.070 10 0 CDAERP C[C@@H](C[NH3+])CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000418490559 295891291 /nfs/dbraw/zinc/89/12/91/295891291.db2.gz NEXDOWHEGKJFAS-UONOGXRCSA-N 2 0 282.432 1.241 10 0 CDAERP CC(C)C[C@H](CNC(=O)[C@]12CCC[C@H]1C[NH2+]C2)[NH+](C)C ZINC000634765095 358498024 /nfs/dbraw/zinc/49/80/24/358498024.db2.gz JYAJYDIACJKNHU-LZWOXQAQSA-N 2 0 281.444 1.469 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2(C)OCCO2)[C@@H]2CCC[C@@H]21 ZINC000368610523 283134198 /nfs/dbraw/zinc/13/41/98/283134198.db2.gz ALASMYOKKDUGTF-AVGNSLFASA-N 2 0 254.374 1.212 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(CC(F)F)C2)[C@@H]2CCC[C@H]21 ZINC000417389679 283140742 /nfs/dbraw/zinc/14/07/42/283140742.db2.gz PWQMMDZWXOVWLV-ZOBORPQBSA-N 2 0 287.398 1.788 10 0 CDAERP C[C@H](CNC(=O)C1CCC([NH3+])CC1)C[NH+]1CCCC1 ZINC000059931050 356374453 /nfs/dbraw/zinc/37/44/53/356374453.db2.gz GNLJZJSIFDUCJG-IYXRBSQSSA-N 2 0 267.417 1.352 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)c1ccc(C[NH3+])cc1 ZINC000037825149 356543086 /nfs/dbraw/zinc/54/30/86/356543086.db2.gz PQXAZLFXYNCDAN-UHFFFAOYSA-N 2 0 277.412 1.805 10 0 CDAERP CO[C@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)[C@@H]1CCOC1 ZINC000659956874 412635845 /nfs/dbraw/zinc/63/58/45/412635845.db2.gz OEMYVTWQODOHJI-GVDBMIGSSA-N 2 0 296.455 1.846 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1C[C@@H]([NH+](C)C)C1(C)C)[NH+](C)C ZINC000636097941 363516303 /nfs/dbraw/zinc/51/63/03/363516303.db2.gz MJHGZRRSOOJKMP-IJLUTSLNSA-N 2 0 255.406 1.172 10 0 CDAERP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000336414502 363524306 /nfs/dbraw/zinc/52/43/06/363524306.db2.gz HSJJXPZCFKGPEQ-MRXNPFEDSA-N 2 0 299.418 1.341 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH+](C)C)C2)CC[N@@H+]1C ZINC000631294682 356791825 /nfs/dbraw/zinc/79/18/25/356791825.db2.gz LHSJHDKVOQDZLU-MELADBBJSA-N 2 0 267.417 1.127 10 0 CDAERP [NH3+]C1(C[NH2+]Cc2cc(-n3ccnc3)cs2)CCC1 ZINC000584040659 356852213 /nfs/dbraw/zinc/85/22/13/356852213.db2.gz NIDKZSIXQWMAPU-UHFFFAOYSA-N 2 0 262.382 1.905 10 0 CDAERP CCCN1CCC[C@H]1C[NH2+]C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000634714212 357418975 /nfs/dbraw/zinc/41/89/75/357418975.db2.gz IACLRGNFENPNCW-ARFHVFGLSA-N 2 0 284.444 1.362 10 0 CDAERP O=C(C[C@@H]1CSCC[NH2+]1)N1CCC([NH+]2CCCC2)CC1 ZINC000091137283 357710295 /nfs/dbraw/zinc/71/02/95/357710295.db2.gz LKVBFJBHSLQLCS-CYBMUJFWSA-N 2 0 297.468 1.168 10 0 CDAERP CCN(CC)C(=O)C1CC[NH+](C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414693913 535398296 /nfs/dbraw/zinc/39/82/96/535398296.db2.gz RYAMOWDEBPWTTG-HUUCEWRRSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H]([NH2+]CCC1(C[NH3+])CC1)C1(C(=O)OC)CCC1 ZINC000593318700 358611297 /nfs/dbraw/zinc/61/12/97/358611297.db2.gz FMPXSNUJZZBXQW-LBPRGKRZSA-N 2 0 268.401 1.827 10 0 CDAERP OCCC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000253132573 358625207 /nfs/dbraw/zinc/62/52/07/358625207.db2.gz POCHCXKTCHMWRL-BFHYXJOUSA-N 2 0 252.402 1.659 10 0 CDAERP C[NH2+][C@H](C)C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000054073274 358701939 /nfs/dbraw/zinc/70/19/39/358701939.db2.gz ZFRMMZCHUJECDT-GFCCVEGCSA-N 2 0 261.369 1.829 10 0 CDAERP C[NH2+][C@@H](CCO)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000095075716 358674458 /nfs/dbraw/zinc/67/44/58/358674458.db2.gz CMTQNZRTRYGQKQ-CVEARBPZSA-N 2 0 262.397 1.869 10 0 CDAERP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H](C)[NH2+]C)cc1 ZINC000054076301 358700799 /nfs/dbraw/zinc/70/07/99/358700799.db2.gz XUSQXCPWVPOUCA-CYBMUJFWSA-N 2 0 277.412 1.753 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000346244218 358996963 /nfs/dbraw/zinc/99/69/63/358996963.db2.gz QPDYHAZUGIDOCN-ZANUVAQNSA-N 2 0 293.455 1.991 10 0 CDAERP CCO[C@@H]1C[C@H](O)C12CC[NH+](C[C@]1(C)CC[NH2+]C1)CC2 ZINC000261897220 359082095 /nfs/dbraw/zinc/08/20/95/359082095.db2.gz VFMQGIDJCFDNAV-RRFJBIMHSA-N 2 0 282.428 1.238 10 0 CDAERP C[C@]1(CN2CC[C@@H](C[NH+]3CCCC3)C2)CC[NH2+]C1 ZINC000261992728 359116644 /nfs/dbraw/zinc/11/66/44/359116644.db2.gz KKEJOZVAIYHODI-GJZGRUSLSA-N 2 0 251.418 1.404 10 0 CDAERP C[C@@]1(CN2CC[C@@H](C[NH+]3CCCC3)C2)CC[NH2+]C1 ZINC000261992736 359116780 /nfs/dbraw/zinc/11/67/80/359116780.db2.gz KKEJOZVAIYHODI-LSDHHAIUSA-N 2 0 251.418 1.404 10 0 CDAERP C[C@@H]1CN(Cc2cc(-n3ccnc3)cs2)C[C@H]1[NH3+] ZINC000262026905 359124127 /nfs/dbraw/zinc/12/41/27/359124127.db2.gz NQFLMQSBTQUUFE-ZWNOBZJWSA-N 2 0 262.382 1.713 10 0 CDAERP CCC[C@@H](C(=O)N1CC[C@H](C[N@H+](C)CC)C1)[NH+](C)C ZINC000162349460 359144467 /nfs/dbraw/zinc/14/44/67/359144467.db2.gz UDGSSMTWIGODMN-KGLIPLIRSA-N 2 0 269.433 1.517 10 0 CDAERP Cc1nc(N)nc(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000309715084 359301841 /nfs/dbraw/zinc/30/18/41/359301841.db2.gz KLLRYEARYSHLRB-CQSZACIVSA-N 2 0 298.394 1.696 10 0 CDAERP CCCN1C[C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CC1=O ZINC000421895425 359498702 /nfs/dbraw/zinc/49/87/02/359498702.db2.gz YNFYMDCKPPADMB-ZJIFWQFVSA-N 2 0 293.455 1.707 10 0 CDAERP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000094648806 291191514 /nfs/dbraw/zinc/19/15/14/291191514.db2.gz JEVMLSGOXGQWGU-REWJHTLYSA-N 2 0 265.401 1.070 10 0 CDAERP c1ccc([C@@H](C[C@@H]2CCOC2)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000423462494 359800761 /nfs/dbraw/zinc/80/07/61/359800761.db2.gz VFQJWHLDTGJFNW-WSOGKROESA-N 2 0 272.392 1.962 10 0 CDAERP CC(C)C1(C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000310812810 359806706 /nfs/dbraw/zinc/80/67/06/359806706.db2.gz CGQPYUFGWMPNBK-CQSZACIVSA-N 2 0 254.418 1.859 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C[C@H](O)C[NH+](C)C2CC2)[C@H](C)C1 ZINC000336841752 359907712 /nfs/dbraw/zinc/90/77/12/359907712.db2.gz SHKPSJSKHOXNEV-BMFZPTHFSA-N 2 0 283.460 1.104 10 0 CDAERP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CCCC[NH+]3CCOCC3)C[C@H]2C1 ZINC000424261473 359982951 /nfs/dbraw/zinc/98/29/51/359982951.db2.gz FEDJJEHBPRLIOW-WNKDZCFJSA-N 2 0 296.455 1.892 10 0 CDAERP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000348331453 360041929 /nfs/dbraw/zinc/04/19/29/360041929.db2.gz BDNTYATZNVKFHZ-ZDUSSCGKSA-N 2 0 258.406 1.190 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]CCc2nc(C)no2)[C@H](C)C1 ZINC000089517844 360180934 /nfs/dbraw/zinc/18/09/34/360180934.db2.gz KLPIQSVRRIAFSH-PWSUYJOCSA-N 2 0 252.362 1.240 10 0 CDAERP C[C@@H]1C[NH2+]CCN1C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000335407678 360229135 /nfs/dbraw/zinc/22/91/35/360229135.db2.gz URJKCNHGWQKPJN-CHWSQXEVSA-N 2 0 253.390 1.071 10 0 CDAERP Cc1nc(C)c(C[NH2+]C2CCN(CC[NH+](C)C)CC2)o1 ZINC000628201837 360240190 /nfs/dbraw/zinc/24/01/90/360240190.db2.gz XPZLXSNQENPARI-UHFFFAOYSA-N 2 0 280.416 1.407 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000336551616 363734843 /nfs/dbraw/zinc/73/48/43/363734843.db2.gz UMGUCEARZHTECP-GASCZTMLSA-N 2 0 273.380 1.217 10 0 CDAERP C[C@@]1(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)CC[NH2+]C1 ZINC000515650283 360527856 /nfs/dbraw/zinc/52/78/56/360527856.db2.gz QINSFWMTQHCULT-GDBMZVCRSA-N 2 0 282.428 1.504 10 0 CDAERP CC[NH+]1CCC(C[NH2+][C@@H]2CCCS(=O)(=O)CC2)CC1 ZINC000634959328 360553059 /nfs/dbraw/zinc/55/30/59/360553059.db2.gz NOLDCIJSNUVPRA-CQSZACIVSA-N 2 0 288.457 1.275 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000626934617 360653906 /nfs/dbraw/zinc/65/39/06/360653906.db2.gz KDQZZYPDKPDYQG-LJISPDSOSA-N 2 0 296.459 1.547 10 0 CDAERP CCn1nc(C)c(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c1C ZINC000634999187 360636397 /nfs/dbraw/zinc/63/63/97/360636397.db2.gz RASKUCDIFFDNEW-MFKMUULPSA-N 2 0 250.390 1.546 10 0 CDAERP CCO[C@@H]1C[N@H+](Cc2ccc(OC)c(C)c2)C[C@H]1C[NH3+] ZINC000405471534 412709040 /nfs/dbraw/zinc/70/90/40/412709040.db2.gz VCEAGOIYNSOVPA-GDBMZVCRSA-N 2 0 278.396 1.799 10 0 CDAERP C[N@@H+]1C[C@@H]2CCCN(c3cc(-n4ccnc4)ncn3)[C@@H]2C1 ZINC000644880940 360922200 /nfs/dbraw/zinc/92/22/00/360922200.db2.gz AANQGJMCSULIOJ-QWHCGFSZSA-N 2 0 284.367 1.193 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000416796313 296026279 /nfs/dbraw/zinc/02/62/79/296026279.db2.gz WOHSTELGJUMARI-ZJUUUORDSA-N 2 0 270.421 1.331 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000431847028 361058004 /nfs/dbraw/zinc/05/80/04/361058004.db2.gz UTDXETDBLUSUSS-KGLIPLIRSA-N 2 0 269.433 1.707 10 0 CDAERP C[N@@H+]1CC[C@H](NC[C@@H]2C[C@H](F)C[NH2+]2)[C@@H]2CCC[C@@H]21 ZINC000643538849 361225095 /nfs/dbraw/zinc/22/50/95/361225095.db2.gz XPIWIQCKPBAMNR-PEDHHIEDSA-N 2 0 255.381 1.149 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)CC[NH2+]1 ZINC000417931546 361394687 /nfs/dbraw/zinc/39/46/87/361394687.db2.gz LLSMJDZUYNBBHM-URGYJCLVSA-N 2 0 296.459 1.547 10 0 CDAERP C[C@@]1(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)CCCS1 ZINC000628352069 363843728 /nfs/dbraw/zinc/84/37/28/363843728.db2.gz WVNKYMFKELTHMR-GJZGRUSLSA-N 2 0 284.469 1.803 10 0 CDAERP CC[C@](C)(O)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683708 364420608 /nfs/dbraw/zinc/42/06/08/364420608.db2.gz MHTYZGQXRILMDZ-HNNXBMFYSA-N 2 0 263.385 1.755 10 0 CDAERP CCC[C@](C)([NH3+])C(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000373040163 364565226 /nfs/dbraw/zinc/56/52/26/364565226.db2.gz QBRZBDIKCQLXHR-HOCLYGCPSA-N 2 0 281.444 1.981 10 0 CDAERP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000105124970 364690412 /nfs/dbraw/zinc/69/04/12/364690412.db2.gz LIRCZWCUDBBWKI-OLZOCXBDSA-N 2 0 284.448 1.499 10 0 CDAERP O[C@@H](C[C@H]1COCCN1CCn1ccnc1)c1ccco1 ZINC000163321440 364710936 /nfs/dbraw/zinc/71/09/36/364710936.db2.gz MNNFBUMZZNUITB-KBPBESRZSA-N 2 0 291.351 1.301 10 0 CDAERP C[NH+](C)C[C@](C)(O)C[NH2+]C1CC(c2ccccc2)C1 ZINC000180683097 365012978 /nfs/dbraw/zinc/01/29/78/365012978.db2.gz KSNSOBJERJNQNV-UYSNPLJNSA-N 2 0 262.397 1.835 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)C2CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000353633026 365344566 /nfs/dbraw/zinc/34/45/66/365344566.db2.gz RMRQSPCHFPHIQX-VGWMRTNUSA-N 2 0 282.428 1.236 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)C[NH2+]1 ZINC000626973159 367116029 /nfs/dbraw/zinc/11/60/29/367116029.db2.gz RKZCOURIRPJPBA-KBXIAJHMSA-N 2 0 296.459 1.689 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000627013933 367237216 /nfs/dbraw/zinc/23/72/16/367237216.db2.gz QEDDBSFJJUHTFH-SOUVJXGZSA-N 2 0 296.459 1.691 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[NH2+]1 ZINC000627053197 367310055 /nfs/dbraw/zinc/31/00/55/367310055.db2.gz ZGJKRHUOEZRYPV-DUJLVANISA-N 2 0 280.416 1.051 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1C[C@H](C)n2ccnc21 ZINC000627052623 367310598 /nfs/dbraw/zinc/31/05/98/367310598.db2.gz RGFFDYZRCSMWBX-YFKTTZPYSA-N 2 0 277.372 1.329 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](C(C)(C)C)C2)CC[N@@H+]1C ZINC000630083409 367520543 /nfs/dbraw/zinc/52/05/43/367520543.db2.gz NRPNKQFOVQZXAM-MELADBBJSA-N 2 0 281.444 1.706 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000627160784 367589760 /nfs/dbraw/zinc/58/97/60/367589760.db2.gz MORKOJOABCOSSB-BARDWOONSA-N 2 0 294.443 1.395 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000627164583 367596406 /nfs/dbraw/zinc/59/64/06/367596406.db2.gz QUJQHBQIAQGCBO-AEGPPILISA-N 2 0 296.459 1.499 10 0 CDAERP CC1CC[NH+](CCCNC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000416877299 242204352 /nfs/dbraw/zinc/20/43/52/242204352.db2.gz UHEJMNBZEXDOSN-LSDHHAIUSA-N 2 0 296.459 1.406 10 0 CDAERP C[C@H]1CC[C@@H](NC(=O)NC(C)(C)C[NH+]2CCCC2)C[NH2+]1 ZINC000627206849 367704164 /nfs/dbraw/zinc/70/41/64/367704164.db2.gz MRIDMNZNAUBHLS-QWHCGFSZSA-N 2 0 282.432 1.301 10 0 CDAERP CC(C)C[C@H]([NH2+]Cc1cc[nH]c1)C(=O)NCC[NH+](C)C ZINC000340102818 367660833 /nfs/dbraw/zinc/66/08/33/367660833.db2.gz GBCQOPXVHWCRSW-AWEZNQCLSA-N 2 0 280.416 1.197 10 0 CDAERP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)[C@H](C)C1CCCCC1 ZINC000567102470 370879697 /nfs/dbraw/zinc/87/96/97/370879697.db2.gz CEVIDQLJTINLGU-UONOGXRCSA-N 2 0 281.444 1.613 10 0 CDAERP C[NH+](C)C[C@H](NC(=O)C1=CC[C@H]([NH3+])C1)c1ccccc1 ZINC000638052866 367809369 /nfs/dbraw/zinc/80/93/69/367809369.db2.gz BRQPWQKZDWBLLJ-GJZGRUSLSA-N 2 0 273.380 1.453 10 0 CDAERP CC1=CC[N@H+](CCNC(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000358668228 367858656 /nfs/dbraw/zinc/85/86/56/367858656.db2.gz QDYKQHQIRDBPKP-OAHLLOKOSA-N 2 0 294.443 1.374 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)CC2(O)CCC2)C1 ZINC000528400708 367827199 /nfs/dbraw/zinc/82/71/99/367827199.db2.gz QNDHHLZHKZDHCC-GJZGRUSLSA-N 2 0 284.444 1.316 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)C2=CC[C@@H]([NH3+])C2)CC1 ZINC000638068459 367989684 /nfs/dbraw/zinc/98/96/84/367989684.db2.gz XPWZHFDNSMZCGB-OAHLLOKOSA-N 2 0 279.428 1.614 10 0 CDAERP CCCC[C@@H](C[NH3+])NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000418446002 243086052 /nfs/dbraw/zinc/08/60/52/243086052.db2.gz NNFRPVLTHKVNPA-KBPBESRZSA-N 2 0 280.416 1.160 10 0 CDAERP C[C@H](CCC[NH3+])NC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418449117 243090957 /nfs/dbraw/zinc/09/09/57/243090957.db2.gz JWTIAHIRDXVTNZ-DGCLKSJQSA-N 2 0 264.373 1.113 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000418466415 243111679 /nfs/dbraw/zinc/11/16/79/243111679.db2.gz RIISNCYZVGVXIG-TUKIKUTGSA-N 2 0 290.411 1.775 10 0 CDAERP CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000418736952 243390329 /nfs/dbraw/zinc/39/03/29/243390329.db2.gz YVMUSPVFEPYHQO-STQMWFEESA-N 2 0 270.421 1.240 10 0 CDAERP COc1c[nH+]ccc1N1CC[NH+](C[C@@H](C)OC)CC1 ZINC000361520244 368869513 /nfs/dbraw/zinc/86/95/13/368869513.db2.gz SNSGQICJPDBIMK-GFCCVEGCSA-N 2 0 265.357 1.247 10 0 CDAERP C[C@@H]1CN(C)C[C@H]1[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000361522630 368870752 /nfs/dbraw/zinc/87/07/52/368870752.db2.gz BBRDXGOACNZALF-MGPQQGTHSA-N 2 0 255.450 1.893 10 0 CDAERP COc1c[nH+]ccc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000361520853 368871190 /nfs/dbraw/zinc/87/11/90/368871190.db2.gz WIFMNFXWVUITHG-ZDUSSCGKSA-N 2 0 277.368 1.249 10 0 CDAERP C[C@@H](C[NH+](C)C)NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000286929895 369030763 /nfs/dbraw/zinc/03/07/63/369030763.db2.gz JAHAHYVTKJMWLX-AWEZNQCLSA-N 2 0 289.423 1.962 10 0 CDAERP CC[NH+](CC)CCNC(=O)NCCC1CC[NH+](CC)CC1 ZINC000073416673 369171042 /nfs/dbraw/zinc/17/10/42/369171042.db2.gz RTCZZHADNQLWOV-UHFFFAOYSA-N 2 0 298.475 1.749 10 0 CDAERP COC(=O)[C@@H]1CSCC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000412062790 284144861 /nfs/dbraw/zinc/14/48/61/284144861.db2.gz BQIJXQRIFFDZCZ-QWHCGFSZSA-N 2 0 286.441 1.309 10 0 CDAERP CC[NH+](CC)CC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000367987727 369311888 /nfs/dbraw/zinc/31/18/88/369311888.db2.gz PJSSINRPSFMPHC-AWEZNQCLSA-N 2 0 267.417 1.176 10 0 CDAERP CC(C)(C)[C@H]([NH3+])c1cn(-c2cccc(C[NH3+])c2)nn1 ZINC000630607061 369379646 /nfs/dbraw/zinc/37/96/46/369379646.db2.gz BQNDGSGATNMOEX-CYBMUJFWSA-N 2 0 259.357 1.772 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCCC[NH+]2CCCC2)C1 ZINC000368269271 369416823 /nfs/dbraw/zinc/41/68/23/369416823.db2.gz HKWKBRWSXILPOO-MRXNPFEDSA-N 2 0 299.434 1.801 10 0 CDAERP C[N@H+](Cc1cn(C[C@H]2C[NH2+]CCO2)nn1)C1CCCCC1 ZINC000630616808 369428322 /nfs/dbraw/zinc/42/83/22/369428322.db2.gz NMWDLLJJEXPWJH-OAHLLOKOSA-N 2 0 293.415 1.031 10 0 CDAERP CC(C)[C@@H]1CC[C@H]([NH2+]CC(=O)N2CC[NH2+]CC2)C[C@@H]1C ZINC000572111612 294558319 /nfs/dbraw/zinc/55/83/19/294558319.db2.gz MNZILTCMPCWMPJ-KKUMJFAQSA-N 2 0 281.444 1.469 10 0 CDAERP COc1cccc(C[C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)n1 ZINC000414910959 369948893 /nfs/dbraw/zinc/94/88/93/369948893.db2.gz VZQASBWSZSAFOP-CHWSQXEVSA-N 2 0 263.385 1.753 10 0 CDAERP COC[C@@H](C)C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000249992031 370190727 /nfs/dbraw/zinc/19/07/27/370190727.db2.gz ZYCKUBFRZRKUOH-KBPBESRZSA-N 2 0 258.406 1.095 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000418247687 370317539 /nfs/dbraw/zinc/31/75/39/370317539.db2.gz VBVWBMVIEVIBAU-GRYCIOLGSA-N 2 0 258.410 1.142 10 0 CDAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@]1(C)CC[NH2+]C1 ZINC000261965792 370265948 /nfs/dbraw/zinc/26/59/48/370265948.db2.gz HRWVFGJEUFCKKC-QLFBSQMISA-N 2 0 251.418 1.545 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000418199365 370280558 /nfs/dbraw/zinc/28/05/58/370280558.db2.gz NSBMXJTZIZKZMK-SOUVJXGZSA-N 2 0 296.459 1.643 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000418196853 370287224 /nfs/dbraw/zinc/28/72/24/370287224.db2.gz IKEXEOOTBKWAKR-QLFBSQMISA-N 2 0 296.459 1.500 10 0 CDAERP Brc1cnccc1NC[C@H]1C[NH2+]CCCO1 ZINC000389821981 370334393 /nfs/dbraw/zinc/33/43/93/370334393.db2.gz QMVJMZYTAJTROQ-SECBINFHSA-N 2 0 286.173 1.056 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])CC1 ZINC000422743837 245204039 /nfs/dbraw/zinc/20/40/39/245204039.db2.gz RYPMMXSANNUIMY-NUEKZKHPSA-N 3 0 283.460 1.450 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000422749222 245209630 /nfs/dbraw/zinc/20/96/30/245209630.db2.gz YCSMUKWLQYGBRI-HNNXBMFYSA-N 3 0 297.418 1.731 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422869579 245357742 /nfs/dbraw/zinc/35/77/42/245357742.db2.gz XODLTHRTDRKUSX-RDGKXADDSA-N 2 0 251.418 1.733 10 0 CDAERP C[C@@H](Cn1cccn1)[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000123143612 371289845 /nfs/dbraw/zinc/28/98/45/371289845.db2.gz DORWSXMSLPDLBL-NFOMZHRRSA-N 2 0 264.417 1.982 10 0 CDAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)C[C@@H]3CCC[NH2+]C3)CC[C@@H]21 ZINC000166597227 371452997 /nfs/dbraw/zinc/45/29/97/371452997.db2.gz YZGQLDPITNIYBE-ZNMIVQPWSA-N 2 0 279.428 1.319 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCC[C@@H]1CO ZINC000573414515 371532666 /nfs/dbraw/zinc/53/26/66/371532666.db2.gz UJHWXOUDFKXSCA-CZUORRHYSA-N 2 0 286.379 1.826 10 0 CDAERP O=C(NCCC[NH+]1CCCCCC1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653105724 541856032 /nfs/dbraw/zinc/85/60/32/541856032.db2.gz HNCSQRFSCRQWPL-CVEARBPZSA-N 2 0 293.455 1.899 10 0 CDAERP COc1nccnc1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000296052295 371580151 /nfs/dbraw/zinc/58/01/51/371580151.db2.gz OUDKXMGMZKKHJW-AWEZNQCLSA-N 2 0 290.411 1.649 10 0 CDAERP CC(C)(C)[NH2+]CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000377939583 371757907 /nfs/dbraw/zinc/75/79/07/371757907.db2.gz NLUZBTOWQCPVMO-OAHLLOKOSA-N 2 0 287.423 1.703 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+]2CCC[C@@H](C)C2)C1 ZINC000575205221 371780093 /nfs/dbraw/zinc/78/00/93/371780093.db2.gz QJUVMIJXTGQNOE-ZIAGYGMSSA-N 2 0 267.417 1.176 10 0 CDAERP [NH3+]Cc1ccc2c(c1)CCCN2C(=O)C[C@@H]1CCC[NH2+]1 ZINC000378187671 371860402 /nfs/dbraw/zinc/86/04/02/371860402.db2.gz OMKJHCHGMBJSLP-AWEZNQCLSA-N 2 0 273.380 1.567 10 0 CDAERP CCCC[N@H+](C)CC1CC[NH+](C[C@H](O)COC)CC1 ZINC000171971819 372260058 /nfs/dbraw/zinc/26/00/58/372260058.db2.gz ARKCOMZHFAHNSL-HNNXBMFYSA-N 2 0 272.433 1.438 10 0 CDAERP C[C@@H]1CCC[C@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CC1 ZINC000578232916 372361183 /nfs/dbraw/zinc/36/11/83/372361183.db2.gz QEWSRQJGWRTHET-PMPSAXMXSA-N 2 0 283.460 1.153 10 0 CDAERP C(CN1CCOCC1)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000173533494 372501837 /nfs/dbraw/zinc/50/18/37/372501837.db2.gz TVRPETFXCPTDKN-UHFFFAOYSA-N 2 0 295.471 1.517 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@H](CO)Cc1ccc(F)cc1 ZINC000423081956 245550250 /nfs/dbraw/zinc/55/02/50/245550250.db2.gz WAEVDNDDZPHBRB-CABCVRRESA-N 2 0 284.375 1.073 10 0 CDAERP CC1CC[NH+](CC(=O)N2CCC[N@@H+](C3CC3)CC2)CC1 ZINC000178057637 372949633 /nfs/dbraw/zinc/94/96/33/372949633.db2.gz PRXBLQOAUKUQLZ-UHFFFAOYSA-N 2 0 279.428 1.415 10 0 CDAERP CN(CC[NH2+][C@@H]1CCC[NH2+]CC1)Cc1ccccc1 ZINC000386857533 373447810 /nfs/dbraw/zinc/44/78/10/373447810.db2.gz JAASRPJZSYJSLY-MRXNPFEDSA-N 2 0 261.413 1.850 10 0 CDAERP CCC[NH+](CCC)CCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000582011558 373537413 /nfs/dbraw/zinc/53/74/13/373537413.db2.gz GVWVIOGGGRIJQJ-HNNXBMFYSA-N 2 0 283.460 1.957 10 0 CDAERP CN(C(=O)C1(C)C[NH2+]C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000399148800 373707529 /nfs/dbraw/zinc/70/75/29/373707529.db2.gz DLKVRENRIKQYCF-HNNXBMFYSA-N 2 0 287.407 1.329 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)CC[NH2+]C(C)C ZINC000037618392 374013227 /nfs/dbraw/zinc/01/32/27/374013227.db2.gz FLSBVLMGGMNCJI-ZDUSSCGKSA-N 2 0 257.422 1.467 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C[NH2+]CCCF)C1 ZINC001661842111 1172455176 /nfs/dbraw/zinc/45/51/76/1172455176.db2.gz KLJPTCQFPZHMGC-CQSZACIVSA-N 2 0 287.423 1.514 10 0 CDAERP Cc1cc(C[NH2+]CC2CC[NH+](CCN(C)C)CC2)on1 ZINC000631063706 374850747 /nfs/dbraw/zinc/85/07/47/374850747.db2.gz GRSPPHNEJNWHSY-UHFFFAOYSA-N 2 0 280.416 1.346 10 0 CDAERP CCn1cc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](CC)C2)cn1 ZINC000044498825 374999273 /nfs/dbraw/zinc/99/92/73/374999273.db2.gz YBUYPLRYINIPBV-STQMWFEESA-N 2 0 250.390 1.895 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000348067616 375002766 /nfs/dbraw/zinc/00/27/66/375002766.db2.gz DIGOYNKSNKFKHY-RRFJBIMHSA-N 2 0 279.428 1.461 10 0 CDAERP CCC[C@H](CCO)[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000631669929 375282010 /nfs/dbraw/zinc/28/20/10/375282010.db2.gz SCPZVQCOPZIWMK-KBUPBQIOSA-N 2 0 254.418 2.000 10 0 CDAERP COC(=O)CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000051907720 375589961 /nfs/dbraw/zinc/58/99/61/375589961.db2.gz CXAABUCAIQFZEW-UHFFFAOYSA-N 2 0 254.374 1.357 10 0 CDAERP C[C@H](CNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C[NH+]1CCCC1 ZINC000417164072 375733374 /nfs/dbraw/zinc/73/33/74/375733374.db2.gz UAWHDPDPEKURPF-KFWWJZLASA-N 2 0 294.443 1.254 10 0 CDAERP CN(CC[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccccc1 ZINC000193623772 375881336 /nfs/dbraw/zinc/88/13/36/375881336.db2.gz FAJXGCVFZBQAFM-GASCZTMLSA-N 2 0 259.397 1.616 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000638980907 376339515 /nfs/dbraw/zinc/33/95/15/376339515.db2.gz PAAUQYWKOADUBO-TXEJJXNPSA-N 2 0 253.390 1.057 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000417393074 376340817 /nfs/dbraw/zinc/34/08/17/376340817.db2.gz PXPORAUMNWBKDS-CQSZACIVSA-N 2 0 282.432 1.145 10 0 CDAERP C[C@@H]1CC[N@H+](CCOCCOc2ccccc2)C[C@H]1C[NH3+] ZINC000420407678 376348821 /nfs/dbraw/zinc/34/88/21/376348821.db2.gz ONCRLMNYCMLRFU-HZPDHXFCSA-N 2 0 292.423 1.999 10 0 CDAERP C[C@H]1C[C@H](NC(=O)NCC2([NH3+])CCCCCC2)CC[N@@H+]1C ZINC000334603514 376477144 /nfs/dbraw/zinc/47/71/44/376477144.db2.gz LQKLAJNOHIDAHK-UONOGXRCSA-N 2 0 296.459 1.820 10 0 CDAERP COCCN1CCC[C@@H]1C[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000246921904 377016498 /nfs/dbraw/zinc/01/64/98/377016498.db2.gz GLKCAATZDRLYDD-MGPQQGTHSA-N 2 0 256.390 1.112 10 0 CDAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C[NH+](C)C(C)C ZINC000247033255 377033938 /nfs/dbraw/zinc/03/39/38/377033938.db2.gz ULHYPAYWMFUUCS-KGLIPLIRSA-N 2 0 267.417 1.412 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000417446379 377192143 /nfs/dbraw/zinc/19/21/43/377192143.db2.gz KZACEWDNASGURI-FRRDWIJNSA-N 2 0 270.421 1.014 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000417446380 377192456 /nfs/dbraw/zinc/19/24/56/377192456.db2.gz KZACEWDNASGURI-RWMBFGLXSA-N 2 0 270.421 1.014 10 0 CDAERP CCCCOC[C@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000248663358 377300282 /nfs/dbraw/zinc/30/02/82/377300282.db2.gz ZOTGJXWSHMNQMA-DLBZAZTESA-N 2 0 298.471 1.972 10 0 CDAERP O=C(NC1CC([NH+]2CCCCC2)C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000334942379 377721817 /nfs/dbraw/zinc/72/18/17/377721817.db2.gz YPKYZWVRSRSJJV-URGYJCLVSA-N 2 0 292.427 1.007 10 0 CDAERP O=C(N[C@@H]1CCC[NH2+]C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000334946005 377762865 /nfs/dbraw/zinc/76/28/65/377762865.db2.gz UOHYRBJICSUFCA-OAHLLOKOSA-N 2 0 294.443 1.256 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000091545830 377895444 /nfs/dbraw/zinc/89/54/44/377895444.db2.gz HGPVNSDBNFDABG-RYUDHWBXSA-N 2 0 253.390 1.103 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)[C@H](C)C[NH2+]C)CC1 ZINC000165866329 378592152 /nfs/dbraw/zinc/59/21/52/378592152.db2.gz MMJSGVBDPHRMSP-GFCCVEGCSA-N 2 0 255.406 1.080 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)CC1C[NH+](C)C1 ZINC000660634077 412893927 /nfs/dbraw/zinc/89/39/27/412893927.db2.gz LJNXDZHSRLLTPS-CQSZACIVSA-N 2 0 282.432 1.064 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000657573506 412904172 /nfs/dbraw/zinc/90/41/72/412904172.db2.gz OSVWLBTYELCMDA-LJISPDSOSA-N 2 0 271.449 1.414 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)N[C@@H](C)CC[NH+](C)C ZINC000663849246 412911620 /nfs/dbraw/zinc/91/16/20/412911620.db2.gz FXUOBLNVEJCQJT-ZDUSSCGKSA-N 2 0 286.464 1.746 10 0 CDAERP CC[NH+](CC)CCNC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662367606 412932592 /nfs/dbraw/zinc/93/25/92/412932592.db2.gz LUHTZENGCGRGQV-UHFFFAOYSA-N 2 0 294.399 1.213 10 0 CDAERP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000418695340 284891183 /nfs/dbraw/zinc/89/11/83/284891183.db2.gz JIRUMDQWIRMULJ-OLZOCXBDSA-N 2 0 270.421 1.240 10 0 CDAERP CC[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000422780973 285185102 /nfs/dbraw/zinc/18/51/02/285185102.db2.gz ICRLRDCIYFMZIH-LSDHHAIUSA-N 3 0 253.434 1.825 10 0 CDAERP CC(C)C[C@@H]([NH3+])c1noc([C@H]2C[NH2+]CCC2(F)F)n1 ZINC000647133087 390501272 /nfs/dbraw/zinc/50/12/72/390501272.db2.gz YRMRKFPBLPUWOU-RKDXNWHRSA-N 2 0 274.315 1.828 10 0 CDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCc2ccccn2)CC1 ZINC000105915479 390523516 /nfs/dbraw/zinc/52/35/16/390523516.db2.gz GXBRDASTPWBILA-OAHLLOKOSA-N 2 0 291.439 1.649 10 0 CDAERP C[C@H]1C[C@@H](c2nc(C3([NH3+])CCC3)no2)CC[N@@H+]1C ZINC000647141692 390544144 /nfs/dbraw/zinc/54/41/44/390544144.db2.gz GGZFFCSQTRLGAS-UWVGGRQHSA-N 2 0 250.346 1.605 10 0 CDAERP CC(C)(C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)N1CCOCC1 ZINC000067854707 390576621 /nfs/dbraw/zinc/57/66/21/390576621.db2.gz VJHSZQDEGLVRED-MRXNPFEDSA-N 2 0 281.444 1.173 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000418362267 285388178 /nfs/dbraw/zinc/38/81/78/285388178.db2.gz HOBKMUQJXQDXJY-RDBSUJKOSA-N 2 0 282.432 1.110 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000156690693 390923407 /nfs/dbraw/zinc/92/34/07/390923407.db2.gz PMYOUMIHAOAIMR-NWDGAFQWSA-N 2 0 253.390 1.057 10 0 CDAERP C[N@H+](C[C@H](O)CC(F)(F)F)C[C@@H]1CC[NH+](C)C1 ZINC000307932100 391022149 /nfs/dbraw/zinc/02/21/49/391022149.db2.gz FKQQLWGCSRDZKW-NXEZZACHSA-N 2 0 254.296 1.183 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N(C)C2CC[NH2+]CC2)CC1 ZINC000417754020 391032245 /nfs/dbraw/zinc/03/22/45/391032245.db2.gz VESZLJNGQIFOBK-UHFFFAOYSA-N 2 0 296.459 1.502 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647479924 390966719 /nfs/dbraw/zinc/96/67/19/390966719.db2.gz YESUILXETWOXHM-ILXRZTDVSA-N 2 0 253.434 1.824 10 0 CDAERP C(C1CC[NH2+]CC1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647479721 390966860 /nfs/dbraw/zinc/96/68/60/390966860.db2.gz QZEYLWLQSLSBHY-GJZGRUSLSA-N 3 0 251.418 1.450 10 0 CDAERP CC(C)[NH+]1CCN(C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000367440744 390987890 /nfs/dbraw/zinc/98/78/90/390987890.db2.gz KDXFOCHSAWFABL-INIZCTEOSA-N 2 0 281.444 1.266 10 0 CDAERP CC(C)[C@@](C)(O)C[NH+]1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000186726942 391409324 /nfs/dbraw/zinc/40/93/24/391409324.db2.gz BVDNZFLGONTCOT-HOCLYGCPSA-N 2 0 284.444 1.579 10 0 CDAERP CC(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000353456690 391392189 /nfs/dbraw/zinc/39/21/89/391392189.db2.gz WGRANQQBBBVDNX-BZUAXINKSA-N 2 0 279.428 1.460 10 0 CDAERP CCN1CCN(C(=O)[C@@H](C)[N@@H+]2CC(C)(C)C[C@@H]2C)CC1 ZINC000412046732 391555694 /nfs/dbraw/zinc/55/56/94/391555694.db2.gz RKPHGWUNRRIADV-UONOGXRCSA-N 2 0 281.444 1.659 10 0 CDAERP CC[NH2+]CCNC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000417531897 391642827 /nfs/dbraw/zinc/64/28/27/391642827.db2.gz JYCLWSNHNFRGMI-BETUJISGSA-N 2 0 270.421 1.158 10 0 CDAERP C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000125125520 391574026 /nfs/dbraw/zinc/57/40/26/391574026.db2.gz JGEBMRWMYYKKSD-UPJWGTAASA-N 2 0 253.390 1.057 10 0 CDAERP C[C@H]([NH2+]CC1COC1)c1cccc(OCC[NH+](C)C)c1 ZINC000528025165 391583793 /nfs/dbraw/zinc/58/37/93/391583793.db2.gz MPJUPKOWRXUWIM-ZDUSSCGKSA-N 2 0 278.396 1.924 10 0 CDAERP CN(C)c1ncc(C[N@H+](C)CCCC2CC[NH2+]CC2)cn1 ZINC000647989672 391655828 /nfs/dbraw/zinc/65/58/28/391655828.db2.gz VLPSRKUKQBFNSW-UHFFFAOYSA-N 2 0 291.443 1.754 10 0 CDAERP CSc1ccccc1C[C@H](C)[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000263312568 391695590 /nfs/dbraw/zinc/69/55/90/391695590.db2.gz YYRCLALZYVSTKK-IACUBPJLSA-N 2 0 280.437 1.509 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000193318136 391739914 /nfs/dbraw/zinc/73/99/14/391739914.db2.gz NZVDUQWHZVGQJC-KBPBESRZSA-N 2 0 267.417 1.591 10 0 CDAERP C[C@@H]1C[C@H]1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415062076 391740529 /nfs/dbraw/zinc/74/05/29/391740529.db2.gz ZNYOFDCBEAPEBJ-DNDYEEKYSA-N 2 0 251.418 1.448 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000417940084 391734694 /nfs/dbraw/zinc/73/46/94/391734694.db2.gz LDVDJBCDNKBYGZ-NZBPQXDJSA-N 2 0 290.411 1.467 10 0 CDAERP CC[C@H](C)C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415058617 391739073 /nfs/dbraw/zinc/73/90/73/391739073.db2.gz UFXSAAFATQOLGQ-NFOMZHRRSA-N 2 0 253.434 1.839 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)NCCCCC[NH+]1CCCC1 ZINC000418218685 391818659 /nfs/dbraw/zinc/81/86/59/391818659.db2.gz OWEALOXMNUBMCI-OLZOCXBDSA-N 2 0 270.421 1.287 10 0 CDAERP CCn1nccc1CC[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000429686785 391876790 /nfs/dbraw/zinc/87/67/90/391876790.db2.gz PSGPSNJRQRJUSW-UHFFFAOYSA-N 2 0 293.459 1.015 10 0 CDAERP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C(C)C)C2)CC1 ZINC000438485389 391930265 /nfs/dbraw/zinc/93/02/65/391930265.db2.gz DLWCHJJLTOWIOT-CQSZACIVSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)[NH+](C)C ZINC000252801239 391988390 /nfs/dbraw/zinc/98/83/90/391988390.db2.gz ACORKRMMPCTGRR-OAGGEKHMSA-N 2 0 289.423 1.888 10 0 CDAERP C[NH+]1CCC2(CC1)C[N@H+](CCO[C@H]1CCCCO1)CCO2 ZINC000646105835 392016090 /nfs/dbraw/zinc/01/60/90/392016090.db2.gz JIJQEUNGVOINRR-HNNXBMFYSA-N 2 0 298.427 1.326 10 0 CDAERP O[C@H](CNCC1(F)CC1)C[N@@H+]1CCc2ccccc2C1 ZINC000550290228 392000685 /nfs/dbraw/zinc/00/06/85/392000685.db2.gz BRQNWODTFBAQGL-OAHLLOKOSA-N 2 0 278.371 1.497 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000649319186 392013314 /nfs/dbraw/zinc/01/33/14/392013314.db2.gz NAUAVEBXIOSOPH-AWEZNQCLSA-N 2 0 299.378 1.984 10 0 CDAERP CC(C)(C)[C@@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000336786736 392060398 /nfs/dbraw/zinc/06/03/98/392060398.db2.gz JEHKHEAJIFOCQY-KGLIPLIRSA-N 2 0 254.418 1.811 10 0 CDAERP C[C@H]1C[C@H](N(C)C(=O)CCC(C)(C)[NH3+])CC[N@@H+]1C ZINC000649340938 392067384 /nfs/dbraw/zinc/06/73/84/392067384.db2.gz BGFQNGSJTMEKDD-NWDGAFQWSA-N 2 0 255.406 1.445 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000334400490 392124341 /nfs/dbraw/zinc/12/43/41/392124341.db2.gz YKRSKASCZZWELW-INIZCTEOSA-N 2 0 293.455 1.946 10 0 CDAERP CC[C@H](C)[C@@H](C[NH2+]C[C@@H](O)CN1CCCCC1)OC ZINC000381149796 392211861 /nfs/dbraw/zinc/21/18/61/392211861.db2.gz LHCWJMWSVKVYKR-RRFJBIMHSA-N 2 0 272.433 1.484 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NCC[N@H+](C)C1CCCCC1 ZINC000422704848 392251345 /nfs/dbraw/zinc/25/13/45/392251345.db2.gz QKQXPLLECLWIHG-HIFRSBDPSA-N 2 0 253.434 1.839 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000423075186 392318819 /nfs/dbraw/zinc/31/88/19/392318819.db2.gz OAMWSCBEYODHIP-HIFRSBDPSA-N 2 0 269.433 1.347 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C1(C(=O)Nc2ccccc2)CC1 ZINC000423062572 392308188 /nfs/dbraw/zinc/30/81/88/392308188.db2.gz NDLLEMAONDSINW-CQSZACIVSA-N 2 0 291.395 1.501 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000423100785 392344453 /nfs/dbraw/zinc/34/44/53/392344453.db2.gz HMSYBOAQOQSBLP-NSHDSACASA-N 2 0 289.326 1.527 10 0 CDAERP CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@@H](CCC[NH3+])COC)[nH]1 ZINC000423079684 392325533 /nfs/dbraw/zinc/32/55/33/392325533.db2.gz REOMIAIAOBOUSG-TUAOUCFPSA-N 2 0 283.420 1.723 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1COc2ccc(F)cc2C1 ZINC000423126380 392365413 /nfs/dbraw/zinc/36/54/13/392365413.db2.gz ROVMLMCZWZVBIH-KBPBESRZSA-N 2 0 282.359 1.473 10 0 CDAERP Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@H]([NH3+])C3)C2)n(C)n1 ZINC000568107168 392366988 /nfs/dbraw/zinc/36/69/88/392366988.db2.gz DVYHRACQBOVCIN-ZNMIVQPWSA-N 2 0 291.443 1.557 10 0 CDAERP C[C@@H](C[C@@H]1COCCN1)[NH2+]Cc1ccc2cc[nH]c2n1 ZINC000423131180 392370342 /nfs/dbraw/zinc/37/03/42/392370342.db2.gz ZMVTZTLGRMLSCS-SMDDNHRTSA-N 2 0 274.368 1.420 10 0 CDAERP C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000646481485 392484897 /nfs/dbraw/zinc/48/48/97/392484897.db2.gz NXSFGMCUXUUUEL-XUXIUFHCSA-N 2 0 267.417 1.268 10 0 CDAERP CC[NH2+]CCCNC(=O)NCC1([NH3+])CCCCCC1 ZINC000574299540 392567686 /nfs/dbraw/zinc/56/76/86/392567686.db2.gz RAGJTKZAIDCAPD-UHFFFAOYSA-N 2 0 270.421 1.337 10 0 CDAERP C(CC[NH+]1CCOCC1)C[NH2+][C@@H]1CCCSCC1 ZINC000657839716 413053643 /nfs/dbraw/zinc/05/36/43/413053643.db2.gz ZMSZRZGOAKWJHV-CQSZACIVSA-N 2 0 272.458 1.974 10 0 CDAERP COC[C@H](C)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000527116611 392722311 /nfs/dbraw/zinc/72/23/11/392722311.db2.gz LLLZLINPNYVRGZ-OWCLPIDISA-N 2 0 283.460 1.227 10 0 CDAERP COC[C@H](C)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000527116612 392722544 /nfs/dbraw/zinc/72/25/44/392722544.db2.gz LLLZLINPNYVRGZ-PMPSAXMXSA-N 2 0 283.460 1.227 10 0 CDAERP COC[C@H](C)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000527116609 392722653 /nfs/dbraw/zinc/72/26/53/392722653.db2.gz LLLZLINPNYVRGZ-BZUAXINKSA-N 2 0 283.460 1.227 10 0 CDAERP C[C@H]1C[C@@H](N(C)C(=O)[C@@H]([NH3+])C(C)(C)C)CC[N@@H+]1C ZINC000237638787 392982032 /nfs/dbraw/zinc/98/20/32/392982032.db2.gz BHDWIVPTNXKBKP-SDDRHHMPSA-N 2 0 255.406 1.301 10 0 CDAERP CC(C)[NH+]1CCN(CCC[NH+]2[C@H](C)CC(O)C[C@H]2C)CC1 ZINC000192838021 393168789 /nfs/dbraw/zinc/16/87/89/393168789.db2.gz OYNMMVVIQIEKFR-HZPDHXFCSA-N 2 0 297.487 1.636 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000377748180 393169912 /nfs/dbraw/zinc/16/99/12/393169912.db2.gz RJSDOHDELOIHCU-CWRNSKLLSA-N 2 0 293.455 1.613 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)C(C)(C)C(F)F ZINC000657880765 413067532 /nfs/dbraw/zinc/06/75/32/413067532.db2.gz NLHBEFMXCIGLSO-NEPJUHHUSA-N 2 0 277.403 1.892 10 0 CDAERP CC[C@H]([NH2+]C)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000662503510 413074536 /nfs/dbraw/zinc/07/45/36/413074536.db2.gz VKDPPGAEAGXWFI-HOTGVXAUSA-N 2 0 289.423 1.717 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000227696912 140186441 /nfs/dbraw/zinc/18/64/41/140186441.db2.gz KNGBMVADLWTDBU-UMVBOHGHSA-N 2 0 265.401 1.214 10 0 CDAERP C[C@@]1(C(=O)NCC2([NH3+])CCCCCC2)CCC[NH2+]C1 ZINC000237488709 140255519 /nfs/dbraw/zinc/25/55/19/140255519.db2.gz UHXAXEQOSUNOPX-CQSZACIVSA-N 2 0 267.417 1.544 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1nc(C(C)(C)[NH3+])no1 ZINC000251863877 140313644 /nfs/dbraw/zinc/31/36/44/140313644.db2.gz SSVIFXBHVYETTA-NEPJUHHUSA-N 2 0 293.415 1.322 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)CC[C@H]1CCC[NH2+]1 ZINC000261555304 140347641 /nfs/dbraw/zinc/34/76/41/140347641.db2.gz BHJSDVAOSSQGGF-OLZOCXBDSA-N 2 0 253.390 1.071 10 0 CDAERP CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000261569338 140349886 /nfs/dbraw/zinc/34/98/86/140349886.db2.gz MNTJULFXUQYHFC-QWHCGFSZSA-N 2 0 267.417 1.223 10 0 CDAERP CC1(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CCC1 ZINC000261801038 140391515 /nfs/dbraw/zinc/39/15/15/140391515.db2.gz YTJLWTTWBJXBKJ-LSDHHAIUSA-N 2 0 293.455 1.757 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CC[C@H]1CCC[NH2+]1 ZINC000261811734 140392511 /nfs/dbraw/zinc/39/25/11/140392511.db2.gz SKVAGPXAQYJQTL-KFWWJZLASA-N 2 0 279.428 1.604 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](C)[NH+](C)C2CC2)C1 ZINC000105174325 147215391 /nfs/dbraw/zinc/21/53/91/147215391.db2.gz IQWBQYWNMPHYAQ-CHWSQXEVSA-N 2 0 282.432 1.253 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCOc2c(OC)cccc21 ZINC000656201632 413101262 /nfs/dbraw/zinc/10/12/62/413101262.db2.gz SOEFBKFFERIXKN-JSGCOSHPSA-N 2 0 294.395 1.862 10 0 CDAERP C[N@@H+]1CCN(CC[NH2+][C@H]2COC3(CCC3)C2)CC1(C)C ZINC000658002783 413127940 /nfs/dbraw/zinc/12/79/40/413127940.db2.gz NIRBIELHEPXMGX-CQSZACIVSA-N 2 0 281.444 1.314 10 0 CDAERP Cc1cc(NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc[nH+]1 ZINC000664234795 413163447 /nfs/dbraw/zinc/16/34/47/413163447.db2.gz BAQWOZVKAIVGPV-GOSISDBHSA-N 2 0 297.402 1.991 10 0 CDAERP COc1cccc(OC)c1C[NH2+]CCc1cn(C)cn1 ZINC000419768569 397636459 /nfs/dbraw/zinc/63/64/59/397636459.db2.gz CRUHLZODLULJPZ-UHFFFAOYSA-N 2 0 275.352 1.770 10 0 CDAERP CC(C)C[C@@H]([NH3+])c1noc([C@@H]2CCC[NH2+]CC2)n1 ZINC000650226100 397795761 /nfs/dbraw/zinc/79/57/61/397795761.db2.gz AQSUCPCSZWSRFK-GHMZBOCLSA-N 2 0 252.362 1.973 10 0 CDAERP c1c[nH]c([C@@H]2CCC[N@@H+](Cc3cc4n(n3)CCC4)C2)n1 ZINC000649560976 397828846 /nfs/dbraw/zinc/82/88/46/397828846.db2.gz GKAAXLIMFJKUFI-GFCCVEGCSA-N 2 0 271.368 1.932 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[C@@H]2C[NH+](C)C[C@@H]21 ZINC000649638839 397885740 /nfs/dbraw/zinc/88/57/40/397885740.db2.gz XUNOMFLOMVNUAR-OAGGEKHMSA-N 2 0 265.445 1.885 10 0 CDAERP COCC[N@@H+]1CCN(CC[NH+]2CCCCC2)C(C)(C)C1 ZINC000649849600 397992742 /nfs/dbraw/zinc/99/27/42/397992742.db2.gz CDUYRFZVQWFVCM-UHFFFAOYSA-N 2 0 283.460 1.515 10 0 CDAERP CC(C)[C@@H](C(=O)N1CCC([NH+](C)C)CC1)[C@H](C)[NH3+] ZINC000399369094 398030756 /nfs/dbraw/zinc/03/07/56/398030756.db2.gz JXIQAPPAECBDCP-WCQYABFASA-N 2 0 255.406 1.158 10 0 CDAERP C[C@@]1(CN2CCC([NH2+]CC3CC3)CC2)CC[NH2+]C1 ZINC000262101839 289164131 /nfs/dbraw/zinc/16/41/31/289164131.db2.gz VQEYGONJVZUHQQ-OAHLLOKOSA-N 2 0 251.418 1.450 10 0 CDAERP CCc1cc(NCCN(C)CCC[NH+](C)C)cc[nH+]1 ZINC000664246417 413183718 /nfs/dbraw/zinc/18/37/18/413183718.db2.gz ZMUSZXLFZSILIK-UHFFFAOYSA-N 2 0 264.417 1.361 10 0 CDAERP COC1([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)CCOCC1 ZINC000453246507 292147041 /nfs/dbraw/zinc/14/70/41/292147041.db2.gz VGQUOSHUKXQFQX-STQMWFEESA-N 2 0 258.406 1.358 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC000362751704 289190980 /nfs/dbraw/zinc/19/09/80/289190980.db2.gz IZOZHRMTQQWIQC-AWEZNQCLSA-N 2 0 267.417 1.271 10 0 CDAERP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CCC1CC[NH2+]CC1 ZINC000094447113 147088494 /nfs/dbraw/zinc/08/84/94/147088494.db2.gz YIPMYQBGFDSOON-GOEBONIOSA-N 2 0 293.455 1.851 10 0 CDAERP [NH3+]Cc1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000094441456 147089380 /nfs/dbraw/zinc/08/93/80/147089380.db2.gz CKMOZFQYTRWJEP-OAHLLOKOSA-N 2 0 288.395 1.847 10 0 CDAERP Cc1cc([C@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)nn1C ZINC000658109799 413209742 /nfs/dbraw/zinc/20/97/42/413209742.db2.gz XSHYYKJDSKRINA-ZFWWWQNUSA-N 2 0 295.475 1.651 10 0 CDAERP c1[nH]nc2cc(C[N@@H+]3CC[C@]4(CC[NH2+]C4)C3)ccc12 ZINC000262063088 149007080 /nfs/dbraw/zinc/00/70/80/149007080.db2.gz RHRHVKJSYOBEMT-HNNXBMFYSA-N 2 0 256.353 1.748 10 0 CDAERP CCC([NH3+])(CC)CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262461150 149066517 /nfs/dbraw/zinc/06/65/17/149066517.db2.gz VYPYQZVFMFYWQQ-XQQFMLRXSA-N 2 0 267.417 1.541 10 0 CDAERP C[C@H](CC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)C1CC[NH2+]CC1 ZINC000262661953 149091390 /nfs/dbraw/zinc/09/13/90/149091390.db2.gz GPKZXJBHZIAVPB-FMKPAKJESA-N 2 0 293.455 1.707 10 0 CDAERP [NH3+][C@@H](CC(=O)N1CC[NH+]2CCC1CC2)c1ccccc1 ZINC000335037805 150213446 /nfs/dbraw/zinc/21/34/46/150213446.db2.gz MCSBUDBIAPAURY-HNNXBMFYSA-N 2 0 273.380 1.383 10 0 CDAERP C[NH+](C)Cc1ccccc1C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000335044243 150222056 /nfs/dbraw/zinc/22/20/56/150222056.db2.gz UXEOGEVPPUEGKP-ZBFHGGJFSA-N 2 0 287.407 1.572 10 0 CDAERP CC1(C)CN(C(=O)NC[C@H]([NH3+])c2ccccc2)CC[NH2+]1 ZINC000335178864 150376131 /nfs/dbraw/zinc/37/61/31/150376131.db2.gz MRUFTAJSWORJIC-ZDUSSCGKSA-N 2 0 276.384 1.080 10 0 CDAERP C[C@H](C(=O)N1CCC[N@@H+](C2CCCC2)CC1)C1C[NH2+]C1 ZINC000262337568 289269523 /nfs/dbraw/zinc/26/95/23/289269523.db2.gz HNFDKKTWYLKBBW-ZDUSSCGKSA-N 2 0 279.428 1.319 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000335505406 150720799 /nfs/dbraw/zinc/72/07/99/150720799.db2.gz NKHRRPOWQSESAL-BBRMVZONSA-N 2 0 287.407 1.844 10 0 CDAERP CC(C)([NH3+])c1cn([C@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000656456306 413282115 /nfs/dbraw/zinc/28/21/15/413282115.db2.gz XXJOSNAHUYBRCK-AWEZNQCLSA-N 2 0 285.395 1.919 10 0 CDAERP CN(C(=O)NCCC[NH+]1CCCC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000349761014 154208186 /nfs/dbraw/zinc/20/81/86/154208186.db2.gz ZPQISDFVWCLOCU-OAHLLOKOSA-N 2 0 294.443 1.350 10 0 CDAERP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C1([NH2+]C2CC2)CCC1 ZINC000662682216 413302936 /nfs/dbraw/zinc/30/29/36/413302936.db2.gz OSOIGRVOQBMLRS-GFCCVEGCSA-N 2 0 277.412 1.262 10 0 CDAERP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)CC2([NH3+])CC2)C1 ZINC000662683987 413307678 /nfs/dbraw/zinc/30/76/78/413307678.db2.gz VAYNTXBTJXHXSQ-KBPBESRZSA-N 2 0 281.444 1.742 10 0 CDAERP C[NH+](C)CCOCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353669353 156002895 /nfs/dbraw/zinc/00/28/95/156002895.db2.gz IXGGQFFVYGDFLJ-KFWWJZLASA-N 3 0 269.433 1.027 10 0 CDAERP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@@H]2CCC(=O)N2)CC1 ZINC000658259704 413321740 /nfs/dbraw/zinc/32/17/40/413321740.db2.gz NSVZFOBDXPYEHZ-CWRNSKLLSA-N 2 0 293.455 1.898 10 0 CDAERP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)CC2([NH3+])CC2)C1 ZINC000662698081 413334712 /nfs/dbraw/zinc/33/47/12/413334712.db2.gz HDSJMMHDOHVFLI-LSDHHAIUSA-N 2 0 293.455 1.981 10 0 CDAERP C[NH+](C)CCOc1ccccc1CNC(=O)CC1([NH3+])CC1 ZINC000662700216 413341103 /nfs/dbraw/zinc/34/11/03/413341103.db2.gz UYCMILQHHMQYTD-UHFFFAOYSA-N 2 0 291.395 1.125 10 0 CDAERP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CC2([NH3+])CC2)C1 ZINC000662728773 413392475 /nfs/dbraw/zinc/39/24/75/413392475.db2.gz CBWCMROXFXROQC-CYBMUJFWSA-N 2 0 281.444 1.885 10 0 CDAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C1C[NH2+]C1 ZINC000364635292 159372298 /nfs/dbraw/zinc/37/22/98/159372298.db2.gz SLQDQUNEHAKXGV-CJNGLKHVSA-N 2 0 287.407 1.233 10 0 CDAERP C[NH+](C)CCCC(=O)NC1C[NH+](CCC(C)(C)C)C1 ZINC001665182798 1172956494 /nfs/dbraw/zinc/95/64/94/1172956494.db2.gz CQYUEAULKZVFDI-UHFFFAOYSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2[NH2+]CCC2(C)C)CC[N@@H+]1C ZINC000662746105 413419772 /nfs/dbraw/zinc/41/97/72/413419772.db2.gz QNRDFUDZYIJFOJ-JHJVBQTASA-N 2 0 267.417 1.316 10 0 CDAERP C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C[C@@]1(C)C[NH3+] ZINC000417849523 296881395 /nfs/dbraw/zinc/88/13/95/296881395.db2.gz WSEKRLNCTAGPBT-XSEXMBABSA-N 2 0 279.428 1.350 10 0 CDAERP C[NH+]1CCN(CCC[NH2+]CCc2ccccc2)CC1 ZINC000020128352 171014459 /nfs/dbraw/zinc/01/44/59/171014459.db2.gz YQUFCWHUKLGWPF-UHFFFAOYSA-N 2 0 261.413 1.456 10 0 CDAERP CCNC(=O)[C@@H](C)[NH2+][C@H](C)CCC[NH+](CC)CC ZINC000020309017 171143465 /nfs/dbraw/zinc/14/34/65/171143465.db2.gz LQDKDMPXPJKGRD-CHWSQXEVSA-N 2 0 257.422 1.611 10 0 CDAERP CC[N@@H+]1CCCN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000654660889 413550773 /nfs/dbraw/zinc/55/07/73/413550773.db2.gz KAERFDONCHDGRL-OKILXGFUSA-N 2 0 282.432 1.064 10 0 CDAERP CCC[NH2+][C@@H](C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000662867485 413627757 /nfs/dbraw/zinc/62/77/57/413627757.db2.gz MFSVBMVQVFEVPX-NUEKZKHPSA-N 2 0 289.423 1.636 10 0 CDAERP CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)[C@@H]1CCCCO1 ZINC000660927010 413660678 /nfs/dbraw/zinc/66/06/78/413660678.db2.gz UZSRXLGZJAZTTM-ILXRZTDVSA-N 2 0 272.433 1.625 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)N(CC)[C@@H]1CC[NH+](C)C1 ZINC000664890470 413716138 /nfs/dbraw/zinc/71/61/38/413716138.db2.gz WBJXAZWXWZKINY-LSDHHAIUSA-N 2 0 296.459 1.596 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000659375027 413758825 /nfs/dbraw/zinc/75/88/25/413758825.db2.gz DEXMDENYKHIPCD-HZSPNIEDSA-N 2 0 285.432 1.105 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)N(C)CC1C[NH+](C)C1 ZINC000661198216 413879879 /nfs/dbraw/zinc/87/98/79/413879879.db2.gz FDRQTVMQEHQWBW-CYBMUJFWSA-N 2 0 284.448 1.310 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000422853778 287271499 /nfs/dbraw/zinc/27/14/99/287271499.db2.gz CGQLSMFRUCITAQ-RBSFLKMASA-N 2 0 253.434 1.839 10 0 CDAERP COC[C@@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)C1CCOCC1 ZINC000661160796 413848359 /nfs/dbraw/zinc/84/83/59/413848359.db2.gz NNMKPIILPQFGIY-JKSUJKDBSA-N 2 0 284.444 1.892 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1)C1CCCC1 ZINC000407372012 413945204 /nfs/dbraw/zinc/94/52/04/413945204.db2.gz MNMFOEKZBMUNHI-HUUCEWRRSA-N 2 0 279.428 1.508 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1)C1CCCC1 ZINC000407372003 413946644 /nfs/dbraw/zinc/94/66/44/413946644.db2.gz MNMFOEKZBMUNHI-CABCVRRESA-N 2 0 279.428 1.508 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1c(C2CCC2)cnn1C ZINC000665273639 414005763 /nfs/dbraw/zinc/00/57/63/414005763.db2.gz AKXMHKXICBWJSA-WDEREUQCSA-N 2 0 250.390 1.903 10 0 CDAERP CC[C@@H]([NH3+])CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659551797 413957511 /nfs/dbraw/zinc/95/75/11/413957511.db2.gz VZEYWDFBBZREFG-RBSFLKMASA-N 2 0 290.411 1.169 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000661359974 414018839 /nfs/dbraw/zinc/01/88/39/414018839.db2.gz SNPCUARTYHHNLE-MELADBBJSA-N 2 0 282.432 1.110 10 0 CDAERP COC[C@@H]([NH2+][C@@H](C)CCCC[NH3+])C1CCOCC1 ZINC000665236935 413967841 /nfs/dbraw/zinc/96/78/41/413967841.db2.gz WTWINCRDYXJDRX-GXTWGEPZSA-N 2 0 258.406 1.535 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CC[C@]1(C)CC1(F)F ZINC000665266839 413996972 /nfs/dbraw/zinc/99/69/72/413996972.db2.gz KQWZWSSAIXLCFS-GHMZBOCLSA-N 2 0 250.333 1.765 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(C2CCCCC2)C1 ZINC000665267041 413999992 /nfs/dbraw/zinc/99/99/92/413999992.db2.gz OQZHFAGFMZUWJA-CABCVRRESA-N 2 0 283.460 1.737 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659618024 414025520 /nfs/dbraw/zinc/02/55/20/414025520.db2.gz YFBVWSOCVDQQOS-HLIUYOAVSA-N 2 0 294.443 1.112 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000655131866 414082780 /nfs/dbraw/zinc/08/27/80/414082780.db2.gz UXTIWAGCPZVUCR-ZIAGYGMSSA-N 2 0 282.432 1.205 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)Cn1cccn1 ZINC000657318996 414166274 /nfs/dbraw/zinc/16/62/74/414166274.db2.gz YNSPHTYMNBMCFO-AWEZNQCLSA-N 2 0 296.378 1.890 10 0 CDAERP CO[C@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)[C@H]1CCOC1 ZINC000659842897 414171180 /nfs/dbraw/zinc/17/11/80/414171180.db2.gz HKMKLBWCDHDOTN-DLBZAZTESA-N 2 0 296.455 1.846 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]2CN(Cc3nc4c(s3)C[NH2+]CC4)C[C@H]21 ZINC000663494372 414289151 /nfs/dbraw/zinc/28/91/51/414289151.db2.gz ILSYMZYZAMMGBO-IJLUTSLNSA-N 2 0 292.452 1.348 10 0 CDAERP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cc(C(N)=O)cs1 ZINC000663499224 414297848 /nfs/dbraw/zinc/29/78/48/414297848.db2.gz HBNMSDBKNXSSAD-LLVKDONJSA-N 2 0 255.387 1.310 10 0 CDAERP [NH3+]Cc1ccc(CNCc2nc3c(s2)C[NH2+]CC3)cc1 ZINC000663498000 414297982 /nfs/dbraw/zinc/29/79/82/414297982.db2.gz QGIIYUUWBSCXCT-UHFFFAOYSA-N 2 0 288.420 1.537 10 0 CDAERP CC(C)(C)[C@@H](C[NH3+])NCc1nc2c(s1)C[NH2+]CC2 ZINC000663500171 414299117 /nfs/dbraw/zinc/29/91/17/414299117.db2.gz YOSGBASGHTUXPZ-LLVKDONJSA-N 2 0 268.430 1.252 10 0 CDAERP c1cc(C[NH2+]CCN2CCC2)n(-c2cc[nH+]cc2)n1 ZINC000657416458 414304768 /nfs/dbraw/zinc/30/47/68/414304768.db2.gz SGRGZDVYSLDPNN-UHFFFAOYSA-N 2 0 257.341 1.063 10 0 CDAERP CC(C)[N@H+](C)C[C@@H](O)CN1CCC[C@@]2(CCCOC2)C1 ZINC000659981063 414317417 /nfs/dbraw/zinc/31/74/17/414317417.db2.gz FVQXJAAQGSTEJI-HZPDHXFCSA-N 2 0 284.444 1.580 10 0 CDAERP C[C@H](O)[C@H]1CCC[N@@H+]1C[C@H](O)CN(C)Cc1ccccc1 ZINC000661770665 414347006 /nfs/dbraw/zinc/34/70/06/414347006.db2.gz GPQXUEFKYJPEJT-USXIJHARSA-N 2 0 292.423 1.325 10 0 CDAERP C[C@H](O)[C@H]1CCC[N@@H+]1C[C@@H](O)CN(C)Cc1ccccc1 ZINC000661770662 414348347 /nfs/dbraw/zinc/34/83/47/414348347.db2.gz GPQXUEFKYJPEJT-BHYGNILZSA-N 2 0 292.423 1.325 10 0 CDAERP CCN(C(=O)NC[C@@H](C)C[NH+]1CCCC1)[C@@H]1CC[N@H+](C)C1 ZINC000663734861 414431418 /nfs/dbraw/zinc/43/14/18/414431418.db2.gz CNOSKHBMUJZJKI-HUUCEWRRSA-N 2 0 296.459 1.454 10 0 CDAERP COC1(CC[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CCC1 ZINC000662150636 414537878 /nfs/dbraw/zinc/53/78/78/414537878.db2.gz YXHXOYZBWOAPQE-OAHLLOKOSA-N 2 0 282.428 1.477 10 0 CDAERP Cc1ccc(C[N@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662249439 414585418 /nfs/dbraw/zinc/58/54/18/414585418.db2.gz NRGHVUCPXUZXPZ-HNNXBMFYSA-N 2 0 260.381 1.948 10 0 CDAERP C[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@H](CCO)c1ccccc1 ZINC000662254035 414587124 /nfs/dbraw/zinc/58/71/24/414587124.db2.gz DLXAGWGVZSWJMC-HZPDHXFCSA-N 2 0 290.407 1.563 10 0 CDAERP C[C@H](C1CC1)[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662252735 414587909 /nfs/dbraw/zinc/58/79/09/414587909.db2.gz SNCPTHNJAIROOZ-RISCZKNCSA-N 2 0 250.386 1.770 10 0 CDAERP C[C@@H]1[C@H](C)SCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662254451 414589371 /nfs/dbraw/zinc/58/93/71/414589371.db2.gz IFXAFRQVWCRQCO-GRYCIOLGSA-N 2 0 256.415 1.333 10 0 CDAERP c1cn(C[C@@H]2CC[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)nn1 ZINC000662294949 414619597 /nfs/dbraw/zinc/61/95/97/414619597.db2.gz IMWDVJQKDCWOEC-OAHLLOKOSA-N 2 0 297.406 1.446 10 0 CDAERP CO[C@H]1C[NH2+][C@H](C(=O)Nc2ccccc2C[NH+](C)C)C1 ZINC000040632533 174359153 /nfs/dbraw/zinc/35/91/53/174359153.db2.gz VJYVIBCNMZFOIA-OCCSQVGLSA-N 2 0 277.368 1.064 10 0 CDAERP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000040694295 174377904 /nfs/dbraw/zinc/37/79/04/174377904.db2.gz PKPQNQONBYHJJZ-GJZGRUSLSA-N 2 0 252.402 1.850 10 0 CDAERP CC[C@H]([NH3+])[C@@H](N(C)C1CC[NH+](C)CC1)C(F)(F)F ZINC000043376459 175030016 /nfs/dbraw/zinc/03/00/16/175030016.db2.gz ORMMADQZFCVWIM-WDEREUQCSA-N 2 0 267.339 1.681 10 0 CDAERP [NH3+]CCCCC[NH+]1CCN(CCOc2ccccc2)CC1 ZINC000043458045 175050403 /nfs/dbraw/zinc/05/04/03/175050403.db2.gz ZOYINEWVJXOLQY-UHFFFAOYSA-N 2 0 291.439 1.812 10 0 CDAERP CC[NH2+][C@H](CN1CC[NH+](CC)CC1)c1ccc(OC)cc1 ZINC000043806034 175108172 /nfs/dbraw/zinc/10/81/72/175108172.db2.gz RBDOXZFCLJTKFF-QGZVFWFLSA-N 2 0 291.439 1.983 10 0 CDAERP CC[NH2+][C@H](CC)[C@H](C)N1CC[NH+](CC2CC2)CC1 ZINC000043967955 175128799 /nfs/dbraw/zinc/12/87/99/175128799.db2.gz GMDZAWRTJQFWLM-DZGCQCFKSA-N 2 0 253.434 1.791 10 0 CDAERP CCC[NH2+][C@H](CC)[C@@H](C)N1CC[NH+](C2CC2)CC1 ZINC000043967793 175128893 /nfs/dbraw/zinc/12/88/93/175128893.db2.gz WLNLUGMOOCQMSV-UKRRQHHQSA-N 2 0 253.434 1.933 10 0 CDAERP C[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H]1CCC[N@H+](C)C1 ZINC000044516253 175190315 /nfs/dbraw/zinc/19/03/15/175190315.db2.gz VEOXGYYODXWOFP-DZGCQCFKSA-N 3 0 253.434 1.648 10 0 CDAERP CC[NH+]1CCC(C[NH2+]Cc2ccc(C(N)=O)cc2F)CC1 ZINC000044518756 175191433 /nfs/dbraw/zinc/19/14/33/175191433.db2.gz SGJYKXDKADXONA-UHFFFAOYSA-N 2 0 293.386 1.746 10 0 CDAERP C[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)CC[C@H](C)[NH2+]1 ZINC000044526819 175191930 /nfs/dbraw/zinc/19/19/30/175191930.db2.gz TZOIEOCURIGMMC-OKILXGFUSA-N 3 0 253.434 1.791 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000044526952 175192030 /nfs/dbraw/zinc/19/20/30/175192030.db2.gz YQLBXUYHIDUFFL-OCCSQVGLSA-N 2 0 267.417 1.223 10 0 CDAERP Cc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)c(=O)[nH]1 ZINC000044533039 175195721 /nfs/dbraw/zinc/19/57/21/175195721.db2.gz YNCIYDFJJYCTAU-GWCFXTLKSA-N 2 0 278.400 1.379 10 0 CDAERP C[NH+]1CCN(CC[NH2+][C@H]2CCCc3cc(O)ccc32)CC1 ZINC000044747369 175243222 /nfs/dbraw/zinc/24/32/22/175243222.db2.gz VVHGIVNMDOJUGR-KRWDZBQOSA-N 2 0 289.423 1.607 10 0 CDAERP CC[C@H](C[NH3+])C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000044797771 175254746 /nfs/dbraw/zinc/25/47/46/175254746.db2.gz UWERFMMLRVCPQK-IUODEOHRSA-N 2 0 293.411 1.399 10 0 CDAERP COCC[C@@](C)(C[NH3+])N1CC[NH+](Cc2ccccc2)CC1 ZINC000045043074 175294990 /nfs/dbraw/zinc/29/49/90/175294990.db2.gz JBFYPBKCHKRPDJ-KRWDZBQOSA-N 2 0 291.439 1.558 10 0 CDAERP CC1CC[NH+](CCC[C@@](C)([NH2+]C2CC2)C(N)=O)CC1 ZINC000045375047 175365431 /nfs/dbraw/zinc/36/54/31/175365431.db2.gz LGRKJLNPKUTENC-OAHLLOKOSA-N 2 0 267.417 1.495 10 0 CDAERP CCC[NH2+][C@](C)(CCCCN1CC[NH+](CC)CC1)C(N)=O ZINC000045374360 175365611 /nfs/dbraw/zinc/36/56/11/175365611.db2.gz RIEZUMHVOFADOD-MRXNPFEDSA-N 2 0 298.475 1.038 10 0 CDAERP CCC[NH2+][C@](C)(CCCC[NH+](CC)CC)C(N)=O ZINC000045375860 175366662 /nfs/dbraw/zinc/36/66/62/175366662.db2.gz TXPPBTMXCSIORJ-CQSZACIVSA-N 2 0 257.422 1.742 10 0 CDAERP CC[N@H+](CCC[C@](C)([NH2+]C1CC1)C(N)=O)CC(C)C ZINC000045381900 175370154 /nfs/dbraw/zinc/37/01/54/175370154.db2.gz VMZNBYSXPRWAFV-HNNXBMFYSA-N 2 0 269.433 1.741 10 0 CDAERP CC[NH2+][C@](C)(CO)C[C@H](C)N(CC[NH+](C)C)CC(C)C ZINC000070513983 175962177 /nfs/dbraw/zinc/96/21/77/175962177.db2.gz OURCJCDSRASXGL-HOTGVXAUSA-N 2 0 287.492 1.645 10 0 CDAERP CN(CC1CC[NH+](C)CC1)C(=O)c1ccccc1CC[NH3+] ZINC000070553079 175982026 /nfs/dbraw/zinc/98/20/26/175982026.db2.gz WVAPDUOPAJQAGN-UHFFFAOYSA-N 2 0 289.423 1.602 10 0 CDAERP CC(C)[NH2+][C@@H]1CCCN([C@H](C)C[NH+]2CCCC2)C1=O ZINC000071033593 176024394 /nfs/dbraw/zinc/02/43/94/176024394.db2.gz MMKZTMPSGJRCFN-ZIAGYGMSSA-N 2 0 267.417 1.460 10 0 CDAERP C[C@H](C[NH+]1CCCC1)N1CCC[C@@H]([NH2+]C2CC2)C1=O ZINC000071033602 176024418 /nfs/dbraw/zinc/02/44/18/176024418.db2.gz ORLMNXGKLBABOV-TZMCWYRMSA-N 2 0 265.401 1.214 10 0 CDAERP C[C@@H](CN1CC[C@H]([NH2+]C2CC2)C1=O)[NH+]1CCCCC1 ZINC000071036364 176025204 /nfs/dbraw/zinc/02/52/04/176025204.db2.gz VSFKIJFJWYFJSV-JSGCOSHPSA-N 2 0 265.401 1.214 10 0 CDAERP CC(C)[NH2+][C@H]1CCCN(C[C@@H](C)[NH+]2CCCCC2)C1=O ZINC000071036402 176025982 /nfs/dbraw/zinc/02/59/82/176025982.db2.gz JIDRDVXCHUEWEW-CABCVRRESA-N 2 0 281.444 1.850 10 0 CDAERP C[C@@H](CC[NH+](C)C)N1CCC[C@H]([NH2+]C2CC2)C1=O ZINC000071037256 176026113 /nfs/dbraw/zinc/02/61/13/176026113.db2.gz ODANZTJXHMLFHY-AAEUAGOBSA-N 2 0 253.390 1.070 10 0 CDAERP CC(C)[NH2+][C@H]1CCN(CCC[N@@H+]2CCCC[C@@H]2C)C1=O ZINC000071037908 176026724 /nfs/dbraw/zinc/02/67/24/176026724.db2.gz LBLFAWMFDLTQEI-GJZGRUSLSA-N 2 0 281.444 1.850 10 0 CDAERP CC[NH+](CC)CCC[C@@H](C)N1CCC[C@@H]([NH2+]C)C1=O ZINC000071038076 176026839 /nfs/dbraw/zinc/02/68/39/176026839.db2.gz ZWEWWNRCRTZHBD-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)[N@H+](C)CCN1CCC[C@H]([NH2+]C2CC2)C1=O ZINC000071042553 176028459 /nfs/dbraw/zinc/02/84/59/176028459.db2.gz UVOGRYOKTUGNNM-ZDUSSCGKSA-N 2 0 253.390 1.070 10 0 CDAERP CC[C@@H]1CCCC[C@H]1[NH2+]CCN1CC[NH+](C)CC1 ZINC000071161078 176046858 /nfs/dbraw/zinc/04/68/58/176046858.db2.gz YUUFRPNJQXFZTK-HUUCEWRRSA-N 2 0 253.434 1.792 10 0 CDAERP Cc1ccccc1[C@H]([NH3+])CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188706 176063869 /nfs/dbraw/zinc/06/38/69/176063869.db2.gz JGBWSFLWMCEKTL-GDBMZVCRSA-N 2 0 261.413 1.878 10 0 CDAERP CN(C[C@H]1CC[N@H+](C)C1)CC1(C[NH3+])CCCCC1 ZINC000071191496 176070021 /nfs/dbraw/zinc/07/00/21/176070021.db2.gz LSPBLCGSFVAPBJ-AWEZNQCLSA-N 2 0 253.434 1.779 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)c1cccc(C[NH2+]C2CC2)n1 ZINC000071191781 176072183 /nfs/dbraw/zinc/07/21/83/176072183.db2.gz PKMUDDUNJHIRKU-CYBMUJFWSA-N 2 0 274.412 1.722 10 0 CDAERP C[C@@H]1C[C@H](C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)CC[C@@H]1[NH3+] ZINC000071193261 176075504 /nfs/dbraw/zinc/07/55/04/176075504.db2.gz IWMUPHJAKSUHJR-SYQHCUMBSA-N 2 0 267.417 1.160 10 0 CDAERP C[C@H]1C[C@H](C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)CC[C@@H]1[NH3+] ZINC000071193262 176075574 /nfs/dbraw/zinc/07/55/74/176075574.db2.gz IWMUPHJAKSUHJR-DGAVXFQQSA-N 2 0 267.417 1.160 10 0 CDAERP C[N@@H+]1CCC[C@@H](CN2CCC[C@H]([NH2+]C3CC3)C2)C1 ZINC000071200658 176077543 /nfs/dbraw/zinc/07/75/43/176077543.db2.gz IYTHTCDQAHRCGM-HIFRSBDPSA-N 2 0 251.418 1.545 10 0 CDAERP C[C@H]1CC[C@@H](C(=O)NCC[N@H+](C)C2CCCC2)C[NH2+]1 ZINC000071379402 176143558 /nfs/dbraw/zinc/14/35/58/176143558.db2.gz IQXYRHAYKOBPGI-QWHCGFSZSA-N 2 0 267.417 1.365 10 0 CDAERP CC[C@@H]([NH3+])[C@H](N1CC[NH+](CC(C)(C)O)CC1)C(C)(C)C ZINC000071380096 176144397 /nfs/dbraw/zinc/14/43/97/176144397.db2.gz SRISUQLOUJYSMO-KGLIPLIRSA-N 2 0 285.476 1.527 10 0 CDAERP CN(CC[NH+](C)C)c1nc2ccccc2cc1C(N)=[NH2+] ZINC000071390241 176148586 /nfs/dbraw/zinc/14/85/86/176148586.db2.gz JVSUPGYMSAFVQE-UHFFFAOYSA-N 2 0 271.368 1.517 10 0 CDAERP C[C@@H](CNC1CC[NH2+]CC1)[N@H+](C)Cc1ccccc1 ZINC000390470147 262195795 /nfs/dbraw/zinc/19/57/95/262195795.db2.gz BPUIYXZGHYIOFC-AWEZNQCLSA-N 2 0 261.413 1.849 10 0 CDAERP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC1=CCOCC1 ZINC000423156807 274237758 /nfs/dbraw/zinc/23/77/58/274237758.db2.gz LPPXKJOBQWYGAN-CZUORRHYSA-N 2 0 260.381 1.881 10 0 CDAERP CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CCC(F)(F)F)[NH+](C)C ZINC001666933291 1173209403 /nfs/dbraw/zinc/20/94/03/1173209403.db2.gz PTUSDWYYXPAPMC-WDEREUQCSA-N 2 0 297.365 1.716 10 0 CDAERP C[C@@H]1[NH2+]CCC[C@@H]1NCc1nc2c(s1)C[NH2+]CC2 ZINC000663495994 423889736 /nfs/dbraw/zinc/88/97/36/423889736.db2.gz BVOGNEWXBSJANA-UWVGGRQHSA-N 2 0 266.414 1.019 10 0 CDAERP FC1(F)C[C@@H]1OCC[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000662273629 423832461 /nfs/dbraw/zinc/83/24/61/423832461.db2.gz PVUGKGCTIBMQFK-STQMWFEESA-N 2 0 274.355 1.732 10 0 CDAERP O=C(NCC[NH2+]C1CC1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659509376 423833008 /nfs/dbraw/zinc/83/30/08/423833008.db2.gz BKCLMRJHDAXJTI-CQSZACIVSA-N 2 0 294.443 1.160 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000652204592 424025246 /nfs/dbraw/zinc/02/52/46/424025246.db2.gz XPJLOGSRDUSJSG-CYBMUJFWSA-N 2 0 290.411 1.205 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N(CC)[C@@H]1CC[NH+](C)C1 ZINC000663941170 424065537 /nfs/dbraw/zinc/06/55/37/424065537.db2.gz JYHUCAXVVZFBOA-UONOGXRCSA-N 2 0 284.448 1.452 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000652205449 424028512 /nfs/dbraw/zinc/02/85/12/424028512.db2.gz YGSMNRDPMHDONW-CYBMUJFWSA-N 2 0 270.421 1.016 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCC2(C[NH3+])CC2)[C@H](C)C1 ZINC000652239202 424117099 /nfs/dbraw/zinc/11/70/99/424117099.db2.gz DNACJPFJHNFXSD-KGLIPLIRSA-N 2 0 296.459 1.487 10 0 CDAERP C[C@]12COC[C@H]1C[N@H+](CCC[NH+]1CCCCC1)C2 ZINC000661698377 424184642 /nfs/dbraw/zinc/18/46/42/424184642.db2.gz BCICYIHLUJEWHK-CABCVRRESA-N 2 0 252.402 1.831 10 0 CDAERP c1c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)nn2c1CCC2 ZINC000652340965 424263948 /nfs/dbraw/zinc/26/39/48/424263948.db2.gz QFECBUKVEIMAQK-BETUJISGSA-N 2 0 260.385 1.261 10 0 CDAERP C[NH+](C)C[C@H](NC(=O)CCC(C)(C)[NH3+])c1ccccc1 ZINC000070088066 424280736 /nfs/dbraw/zinc/28/07/36/424280736.db2.gz YMSFNJPMYHMNMY-AWEZNQCLSA-N 2 0 277.412 1.923 10 0 CDAERP CCO[C@@H]1C[N@H+](CCO[C@@H]2CCCC[C@H]2C)C[C@H]1C[NH3+] ZINC000652357520 424306019 /nfs/dbraw/zinc/30/60/19/424306019.db2.gz VDJWXRHJTIUPGL-KLHDSHLOSA-N 2 0 284.444 1.877 10 0 CDAERP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CC1([NH3+])CC1 ZINC000662696370 424332186 /nfs/dbraw/zinc/33/21/86/424332186.db2.gz YGOVKMJEBVMZDI-FRRDWIJNSA-N 2 0 267.417 1.350 10 0 CDAERP CCO[C@@H](CC[NH+](C)C)CNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662749564 424402893 /nfs/dbraw/zinc/40/28/93/424402893.db2.gz JPPCRJSTSMBDBT-AWEZNQCLSA-N 2 0 297.443 1.134 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000659619151 424415919 /nfs/dbraw/zinc/41/59/19/424415919.db2.gz MTGORIGWUQFECH-XQQFMLRXSA-N 2 0 270.421 1.271 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[C@@H](C)SC1 ZINC000655713131 424483368 /nfs/dbraw/zinc/48/33/68/424483368.db2.gz VYGOEJBVKRIKPC-MGPQQGTHSA-N 2 0 271.474 1.496 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000655489391 424506519 /nfs/dbraw/zinc/50/65/19/424506519.db2.gz QAEVPZIPDYMYPM-ZNMIVQPWSA-N 2 0 275.396 1.013 10 0 CDAERP C[N@@H+]1CCC[C@@H](C[NH2+]CC(C)(C)N2CCOCC2)C1 ZINC000054240090 424463281 /nfs/dbraw/zinc/46/32/81/424463281.db2.gz MYXOPMPIMZZZEV-AWEZNQCLSA-N 2 0 269.433 1.029 10 0 CDAERP [NH3+]CC12CCC(CC1)CN2C(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655481798 424475792 /nfs/dbraw/zinc/47/57/92/424475792.db2.gz LBWQOXYIQXHJDV-AYDDYBHNSA-N 2 0 277.412 1.106 10 0 CDAERP C[NH2+]C[C@H](C)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000659648172 424531614 /nfs/dbraw/zinc/53/16/14/424531614.db2.gz REJAHHORYMHZEC-MJBXVCDLSA-N 2 0 282.432 1.251 10 0 CDAERP CC(C)C[C@@H](C[NH2+]CCF)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001667117923 1173236415 /nfs/dbraw/zinc/23/64/15/1173236415.db2.gz GYXVAOZZOWFLNF-OLZOCXBDSA-N 2 0 273.396 1.028 10 0 CDAERP CC[NH+](CC)CCC[C@@H](C)NC(=O)CC[C@H](C)[NH3+] ZINC000070314770 279100908 /nfs/dbraw/zinc/10/09/08/279100908.db2.gz SYPBQYGXKJKQKB-QWHCGFSZSA-N 2 0 257.422 1.741 10 0 CDAERP C[C@@H]([NH2+]CC(C)(C)O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185672593 270258542 /nfs/dbraw/zinc/25/85/42/270258542.db2.gz OXTGDUGMCHQJFE-OLZOCXBDSA-N 2 0 254.418 2.000 10 0 CDAERP Cn1cc([C@@H]2CN(CC3CC(C)(C)C3)C[C@H]2[NH3+])cn1 ZINC000530222249 271163887 /nfs/dbraw/zinc/16/38/87/271163887.db2.gz GQIFGVUBKZUMCB-UONOGXRCSA-N 2 0 262.401 1.583 10 0 CDAERP CC(C)(C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])C(=O)N1CCCC1 ZINC000530223661 271165343 /nfs/dbraw/zinc/16/53/43/271165343.db2.gz OKDKAAJJMSRUKM-UONOGXRCSA-N 2 0 281.444 1.885 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@H]1c2ccccc2C(=O)N1C ZINC000530225540 271167263 /nfs/dbraw/zinc/16/72/63/271167263.db2.gz OADDMCOZECQAKE-UGFHNGPFSA-N 2 0 273.380 1.401 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC[C@@H]1c2ccccc2C(=O)N1C ZINC000530225539 271167464 /nfs/dbraw/zinc/16/74/64/271167464.db2.gz OADDMCOZECQAKE-KCPJHIHWSA-N 2 0 273.380 1.401 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)CC[NH2+]1 ZINC000530247898 271183102 /nfs/dbraw/zinc/18/31/02/271183102.db2.gz CPNFKTSOODAXOJ-SYQHCUMBSA-N 2 0 286.441 1.026 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)[NH2+]C(C)(C)CC)C1 ZINC000356326574 276178039 /nfs/dbraw/zinc/17/80/39/276178039.db2.gz VHEIPZDPAFTGLA-OLZOCXBDSA-N 2 0 269.433 1.754 10 0 CDAERP CC[C@H]([NH3+])CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000418716624 287928709 /nfs/dbraw/zinc/92/87/09/287928709.db2.gz SGKFHTRDFYBPPT-KBPBESRZSA-N 2 0 282.432 1.384 10 0 CDAERP COCCOc1cc2c(cc1C[NH2+]C[C@H](C)C[NH3+])OCO2 ZINC000414875869 277233909 /nfs/dbraw/zinc/23/39/09/277233909.db2.gz KKZASYRXVZKINJ-LLVKDONJSA-N 2 0 296.367 1.125 10 0 CDAERP CC1(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C[NH2+]C1 ZINC000335539318 278172497 /nfs/dbraw/zinc/17/24/97/278172497.db2.gz UCOUVGYIPRZAEE-OAHLLOKOSA-N 2 0 293.455 1.711 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)C[NH+]1CCCC1 ZINC000251137346 278205553 /nfs/dbraw/zinc/20/55/53/278205553.db2.gz VRHDNJIWMUFBRR-FPCVCCKLSA-N 2 0 293.455 1.755 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000250065457 278804335 /nfs/dbraw/zinc/80/43/35/278804335.db2.gz YFKFTXDAHHDUFC-IMJJTQAJSA-N 2 0 293.455 1.898 10 0 CDAERP CCC[C@@H]([NH3+])C(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000167772458 278865837 /nfs/dbraw/zinc/86/58/37/278865837.db2.gz YEMKDVIHNBRQHD-ZIAGYGMSSA-N 2 0 267.417 1.591 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000233450059 279131932 /nfs/dbraw/zinc/13/19/32/279131932.db2.gz SFIWURIJOGKUBG-STQMWFEESA-N 2 0 269.433 1.611 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC000173500143 279310439 /nfs/dbraw/zinc/31/04/39/279310439.db2.gz WJYLVMVNRYHRLA-ZNMIVQPWSA-N 2 0 294.443 1.349 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1C[NH+](C(C)C)C[C@H]1C ZINC000246484546 279312142 /nfs/dbraw/zinc/31/21/42/279312142.db2.gz QVOUQUBXKWAWAD-RBSFLKMASA-N 2 0 296.459 1.499 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000246105723 279333110 /nfs/dbraw/zinc/33/31/10/279333110.db2.gz HMQICYHVIKUMBQ-LSDHHAIUSA-N 2 0 294.443 1.350 10 0 CDAERP C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)C(C)(C)C[NH+](C)C ZINC000119522068 279365647 /nfs/dbraw/zinc/36/56/47/279365647.db2.gz VOJBOOFWBBZZEO-STQMWFEESA-N 2 0 284.448 1.356 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262430562 279641118 /nfs/dbraw/zinc/64/11/18/279641118.db2.gz JFPSFTPBKXJCDL-HPCHECBXSA-N 2 0 265.401 1.151 10 0 CDAERP [NH3+][C@@H](CC1CCCCC1)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000335499660 279666228 /nfs/dbraw/zinc/66/62/28/279666228.db2.gz JABSFTHGXRHLGX-RDJZCZTQSA-N 2 0 293.455 1.886 10 0 CDAERP CC(C)[C@H](O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000367922663 280346730 /nfs/dbraw/zinc/34/67/30/280346730.db2.gz CXVRFAMXGVMGOW-BYNSBNAKSA-N 2 0 270.417 1.187 10 0 CDAERP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)[C@H]1CC1(C)C ZINC000397714724 280709058 /nfs/dbraw/zinc/70/90/58/280709058.db2.gz VTMNFOQICJUPFG-BFHYXJOUSA-N 2 0 254.418 1.857 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCN(c2ccccc2)C1=O ZINC000422686860 280745718 /nfs/dbraw/zinc/74/57/18/280745718.db2.gz AUPRWPSKQKUYGG-UKRRQHHQSA-N 2 0 275.396 1.899 10 0 CDAERP CCN(CC[NH2+]CC=C(C)C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001668469317 1173417557 /nfs/dbraw/zinc/41/75/57/1173417557.db2.gz SADFIOXMIVZVTR-OAHLLOKOSA-N 2 0 281.444 1.875 10 0 CDAERP CC1(C)CN(C(=O)C2(C[NH3+])CCCC2)CC[C@H]1[NH3+] ZINC000336378726 281154041 /nfs/dbraw/zinc/15/40/41/281154041.db2.gz CYWJRJFRPXNWDQ-LLVKDONJSA-N 2 0 253.390 1.091 10 0 CDAERP C[N@@H+]1CCC[C@H]1CC[NH+]1CC2(CCOCC2)CC[C@@H]1CO ZINC000528643620 281264803 /nfs/dbraw/zinc/26/48/03/281264803.db2.gz GXGYXPGKVBCMEC-JKSUJKDBSA-N 2 0 296.455 1.724 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCC[N@H+](C)C1CCCC1 ZINC000417505856 288324556 /nfs/dbraw/zinc/32/45/56/288324556.db2.gz LCGLJQXKYBFMQY-TZMCWYRMSA-N 2 0 282.432 1.158 10 0 CDAERP CCC[NH2+]CCN(CC)C(=O)C1CC[NH+](C)CC1 ZINC001668541869 1173423656 /nfs/dbraw/zinc/42/36/56/1173423656.db2.gz GQMLVDIMHLOJHJ-UHFFFAOYSA-N 2 0 255.406 1.176 10 0 CDAERP CCN(CC[NH2+]Cc1ccccc1)C(=O)CC[NH+](C)C ZINC001668542075 1173424004 /nfs/dbraw/zinc/42/40/04/1173424004.db2.gz KCYIZTDLHQLAIW-UHFFFAOYSA-N 2 0 277.412 1.576 10 0 CDAERP C[NH+](C)C(C)(C)CN[C@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353456727 289036458 /nfs/dbraw/zinc/03/64/58/289036458.db2.gz WSBQPVRYDDVKEJ-MELADBBJSA-N 2 0 253.434 1.789 10 0 CDAERP C[NH+](C)C1(CN[C@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000417353691 289062610 /nfs/dbraw/zinc/06/26/10/289062610.db2.gz JNAAUMSIAYMLML-HZSPNIEDSA-N 2 0 251.418 1.543 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000055087434 289066934 /nfs/dbraw/zinc/06/69/34/289066934.db2.gz RXTCIMUTTITSHO-NEPJUHHUSA-N 2 0 253.390 1.057 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NCCC[NH+]2CCCC[C@@H]2C)C1 ZINC000553210049 290103004 /nfs/dbraw/zinc/10/30/04/290103004.db2.gz KVHZHCDCHDXQQH-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCOCC(F)F)[C@@H]2CCC[C@H]21 ZINC000367539200 290218977 /nfs/dbraw/zinc/21/89/77/290218977.db2.gz XLXMSZFGZQLHKM-SDDRHHMPSA-N 2 0 262.344 1.731 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)[C@@H]2CCC[C@@H]21 ZINC000353627172 290220464 /nfs/dbraw/zinc/22/04/64/290220464.db2.gz ZETJFORVYLTTEJ-BJDJZHNGSA-N 2 0 280.334 1.762 10 0 CDAERP C[N@@H+]1CC[C@H](N[C@@H]2C[NH2+]CCC2(F)F)[C@@H]2CCC[C@@H]21 ZINC000423485489 290224449 /nfs/dbraw/zinc/22/44/49/290224449.db2.gz RSTCVEHBFADQAH-ZDEQEGDKSA-N 2 0 273.371 1.446 10 0 CDAERP O=C([C@@H]1CCCCC[NH2+]1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000557191590 290334872 /nfs/dbraw/zinc/33/48/72/290334872.db2.gz MHHOCHGZNPNZOA-ZFWWWQNUSA-N 2 0 265.401 1.121 10 0 CDAERP CCCN(C(=O)NCC1([NH3+])CCCCCC1)[C@H]1CC[NH2+]C1 ZINC000557208149 290336037 /nfs/dbraw/zinc/33/60/37/290336037.db2.gz PXJUGXKQOXKHDQ-AWEZNQCLSA-N 2 0 296.459 1.822 10 0 CDAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000561170957 293057315 /nfs/dbraw/zinc/05/73/15/293057315.db2.gz YJDLCPQKDGTPDN-CABCVRRESA-N 2 0 281.444 1.566 10 0 CDAERP C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000562809373 293201121 /nfs/dbraw/zinc/20/11/21/293201121.db2.gz RGSOOGGDXDBAOV-ONGXEEELSA-N 2 0 277.343 1.408 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000563074835 293264921 /nfs/dbraw/zinc/26/49/21/293264921.db2.gz KCRIGJHVWJFLGJ-MELADBBJSA-N 2 0 267.417 1.365 10 0 CDAERP COCc1cccc(C[NH2+][C@@H](CCC[NH3+])COC)c1 ZINC000234794998 293311064 /nfs/dbraw/zinc/31/10/64/293311064.db2.gz NFMMZDQBZZHMJA-HNNXBMFYSA-N 2 0 266.385 1.677 10 0 CDAERP C[N@H+](CCc1cnccn1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000563271359 293329511 /nfs/dbraw/zinc/32/95/11/293329511.db2.gz REVAXXFEDYYDMB-UHFFFAOYSA-N 2 0 282.391 1.797 10 0 CDAERP CC(C)[C@@H](C(=O)N1CC2CCC1(C[NH3+])CC2)[C@@H](C)[NH3+] ZINC000564344127 293347356 /nfs/dbraw/zinc/34/73/56/293347356.db2.gz WGYAKRFULRNYDU-KLNSDEMFSA-N 2 0 267.417 1.336 10 0 CDAERP [NH3+]CC1CCC([NH2+]CC2(O)Cc3ccccc3C2)CC1 ZINC000564825429 293424769 /nfs/dbraw/zinc/42/47/69/293424769.db2.gz FTWBICBKZAVOGM-UHFFFAOYSA-N 2 0 274.408 1.623 10 0 CDAERP C[C@@H](CCC[NH3+])NC(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000564957438 293469816 /nfs/dbraw/zinc/46/98/16/293469816.db2.gz PEHWSCNMGTVGIP-GXFFZTMASA-N 2 0 267.348 1.112 10 0 CDAERP CC(C)[NH2+]CC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000565248603 293578189 /nfs/dbraw/zinc/57/81/89/293578189.db2.gz ANCUNISINLGXQG-UHFFFAOYSA-N 2 0 265.332 1.408 10 0 CDAERP CC[C@@H]1CCC[C@H]1C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000567697928 293844001 /nfs/dbraw/zinc/84/40/01/293844001.db2.gz QINNDJKZYVKBIP-OWCLPIDISA-N 2 0 283.460 1.011 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1noc2ccccc12 ZINC000569020170 294145107 /nfs/dbraw/zinc/14/51/07/294145107.db2.gz VSIJIKXWLKQESZ-NSHDSACASA-N 2 0 263.341 1.671 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000571301473 294408655 /nfs/dbraw/zinc/40/86/55/294408655.db2.gz UITJAJCFMITJPP-OAHLLOKOSA-N 2 0 296.459 1.407 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000574178706 294960717 /nfs/dbraw/zinc/96/07/17/294960717.db2.gz FBNQOIYNRLEQQB-NFOMZHRRSA-N 2 0 296.459 1.406 10 0 CDAERP [NH3+]C1(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCC1 ZINC000336221465 295201195 /nfs/dbraw/zinc/20/11/95/295201195.db2.gz JLVBQHGPJBECPD-HNNXBMFYSA-N 2 0 293.455 1.982 10 0 CDAERP C[C@H]([NH3+])c1cnc(N2CCC([NH+](C)C)CC2)s1 ZINC000054895687 524867663 /nfs/dbraw/zinc/86/76/63/524867663.db2.gz PGZKRKAZHNEVSS-VIFPVBQESA-N 2 0 254.403 1.693 10 0 CDAERP C[C@H](CC(=O)N1CCC([NH+](C)C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000156005232 298286017 /nfs/dbraw/zinc/28/60/17/298286017.db2.gz RNMBGSHNLXUGHP-ZIAGYGMSSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CCF ZINC001669075470 1173502777 /nfs/dbraw/zinc/50/27/77/1173502777.db2.gz RICKSEHVIWZXDR-ZRUQZJFASA-N 2 0 285.407 1.481 10 0 CDAERP C[C@H](CC[NH3+])NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000417933272 298423012 /nfs/dbraw/zinc/42/30/12/298423012.db2.gz OFHDCHZYVDGOKP-PNESKVBLSA-N 2 0 270.421 1.143 10 0 CDAERP C[C@H](CNC(=O)N[C@@H](C)[C@@H](C)[NH3+])C[NH+]1CCCCC1 ZINC000417171057 298730804 /nfs/dbraw/zinc/73/08/04/298730804.db2.gz DFWHFFPTGNNKBA-UPJWGTAASA-N 2 0 270.421 1.143 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001669474062 1173553925 /nfs/dbraw/zinc/55/39/25/1173553925.db2.gz FDRIEMPRRAGCRP-CHWSQXEVSA-N 2 0 255.406 1.079 10 0 CDAERP Cn1nccc1[C@@H]1CCCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420362157 303072644 /nfs/dbraw/zinc/07/26/44/303072644.db2.gz ANQHLOXFMVLULT-HIFRSBDPSA-N 2 0 262.401 1.947 10 0 CDAERP [NH3+]C[C@H](C(=O)N1CCC2(CC[NH2+]2)CC1)c1ccccc1 ZINC000335405266 303413389 /nfs/dbraw/zinc/41/33/89/303413389.db2.gz FJFQQIKHRBFCLJ-AWEZNQCLSA-N 2 0 273.380 1.083 10 0 CDAERP O=C(C1CC[NH+](C2CC2)CC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000335424815 303559401 /nfs/dbraw/zinc/55/94/01/303559401.db2.gz SRGALUBSEDVDIJ-QGZVFWFLSA-N 2 0 291.439 1.463 10 0 CDAERP CC/C=C\CC[N@H+](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001669909489 1173629450 /nfs/dbraw/zinc/62/94/50/1173629450.db2.gz GEDCDNKEOXKFKX-IYKSTZQJSA-N 2 0 293.455 1.875 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CNC[C@H]1CCC[NH2+]1 ZINC000563422101 316305223 /nfs/dbraw/zinc/30/52/23/316305223.db2.gz GVMUXPKGDUZDGR-CQSZACIVSA-N 2 0 271.368 1.417 10 0 CDAERP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc(CO)c(F)c2)C1 ZINC000575935101 317043663 /nfs/dbraw/zinc/04/36/63/317043663.db2.gz FPRVPRLCYKUYPJ-STQMWFEESA-N 2 0 252.333 1.678 10 0 CDAERP C[NH+](C)C[C@H]1CCN(C(=O)[C@@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000576277754 317108651 /nfs/dbraw/zinc/10/86/51/317108651.db2.gz QTSWPUNZCDGJMX-DOMZBBRYSA-N 2 0 293.386 1.278 10 0 CDAERP CCC[NH2+][C@@H](C)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000576462829 317143055 /nfs/dbraw/zinc/14/30/55/317143055.db2.gz AJXUKGSGATWTEW-ACJTYDJDSA-N 2 0 253.390 1.116 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(C)CC2)[C@@H]1C ZINC000577041114 317253194 /nfs/dbraw/zinc/25/31/94/317253194.db2.gz RZMKMIKWBSHTGM-RBSFLKMASA-N 2 0 253.434 1.648 10 0 CDAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+]1CCCC[C@H]1C ZINC000577408633 317326759 /nfs/dbraw/zinc/32/67/59/317326759.db2.gz BLPGOCYRHFRQJF-RBSFLKMASA-N 2 0 281.444 1.707 10 0 CDAERP CCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001673131273 1173827627 /nfs/dbraw/zinc/82/76/27/1173827627.db2.gz AKAIFHLDHMOZIE-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000578986621 324073666 /nfs/dbraw/zinc/07/36/66/324073666.db2.gz KUHXNIALAVFECZ-FZKCQIBNSA-N 2 0 293.455 1.837 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NC[C@H](C2CC2)[NH+](C)C)CC[N@@H+]1C ZINC000579290808 324147789 /nfs/dbraw/zinc/14/77/89/324147789.db2.gz MFRWWAYZPZHOGL-FPMFFAJLSA-N 2 0 267.417 1.173 10 0 CDAERP C[C@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)[NH+]1CCCC1 ZINC000582956944 325076642 /nfs/dbraw/zinc/07/66/42/325076642.db2.gz XTUXRAOVPARPOO-CABCVRRESA-N 2 0 281.444 1.851 10 0 CDAERP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC2 ZINC000583320842 325151870 /nfs/dbraw/zinc/15/18/70/325151870.db2.gz RBTNOPCMKQKTFZ-XQLPTFJDSA-N 2 0 296.459 1.769 10 0 CDAERP CC(C)C[C@H]([NH3+])c1noc(C[C@@H]2CSCC[NH2+]2)n1 ZINC000583752515 325234436 /nfs/dbraw/zinc/23/44/36/325234436.db2.gz NDTCHQMPDFFWRO-ZJUUUORDSA-N 2 0 270.402 1.363 10 0 CDAERP Cn1nc2c(c1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)CCCC2 ZINC000584123658 327045849 /nfs/dbraw/zinc/04/58/49/327045849.db2.gz DNAVXYKLXDUTLX-NWDGAFQWSA-N 2 0 262.401 1.658 10 0 CDAERP CCC[N@@H+]1CC[C@H](CCNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267557832 1159459602 /nfs/dbraw/zinc/45/96/02/1159459602.db2.gz NMIXFTCZGHSIME-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP CC[C@@H]([NH3+])C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000152954508 482418844 /nfs/dbraw/zinc/41/88/44/482418844.db2.gz XBROHYSODAVORH-TZMCWYRMSA-N 2 0 263.385 1.360 10 0 CDAERP c1cc2c(s1)C[N@H+](C[C@@H]1CCC3(C[NH2+]C3)O1)CC2 ZINC000662276657 482236824 /nfs/dbraw/zinc/23/68/24/482236824.db2.gz KUWGMKYXKPVVCY-LBPRGKRZSA-N 2 0 264.394 1.627 10 0 CDAERP [NH3+]C/C=C\CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000668623233 482492886 /nfs/dbraw/zinc/49/28/86/482492886.db2.gz CGUKMCSAAVDPGJ-FYDYADQUSA-N 2 0 292.383 1.231 10 0 CDAERP c1cc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)n(-c2cc[nH+]cc2)n1 ZINC000668705795 482505136 /nfs/dbraw/zinc/50/51/36/482505136.db2.gz NGPRGWNDSQRAIQ-KGLIPLIRSA-N 2 0 284.363 1.736 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)C1CCC([NH3+])CC1 ZINC000230710617 482558706 /nfs/dbraw/zinc/55/87/06/482558706.db2.gz HEZTYZXPMJFDTN-UHFFFAOYSA-N 2 0 255.406 1.304 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)N[C@@H]2CCC[NH2+]CC2)CC1 ZINC000669540710 482625721 /nfs/dbraw/zinc/62/57/21/482625721.db2.gz IHIUSCXLZDLUIW-SHARSMKWSA-N 2 0 296.459 1.548 10 0 CDAERP C[N@@H+]1CC[C@H](NC(=O)NC/C=C/C[NH3+])[C@@H]1c1ccccc1 ZINC000669545779 482642919 /nfs/dbraw/zinc/64/29/19/482642919.db2.gz KZIYDLZXVYBGPV-WHJWBVKISA-N 2 0 288.395 1.246 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000417943848 482644668 /nfs/dbraw/zinc/64/46/68/482644668.db2.gz VLIOXQMFDWBRBR-HXSCFSKGSA-N 2 0 296.459 1.676 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000669286349 482647856 /nfs/dbraw/zinc/64/78/56/482647856.db2.gz JYIACMLPJCZZNS-OLZOCXBDSA-N 2 0 270.421 1.158 10 0 CDAERP CC[N@@H+]1CCN(C(=O)CC[C@@H]2CCCC[NH+]2C)C[C@H]1C ZINC000673036045 482667511 /nfs/dbraw/zinc/66/75/11/482667511.db2.gz JVWYXLNAGRRGIL-CABCVRRESA-N 2 0 281.444 1.804 10 0 CDAERP COCC1(CC[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])CC1 ZINC000647801469 482757120 /nfs/dbraw/zinc/75/71/20/482757120.db2.gz WREKMKLTABQZRV-RWMBFGLXSA-N 2 0 256.390 1.145 10 0 CDAERP Cc1cncc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000402590261 482773722 /nfs/dbraw/zinc/77/37/22/482773722.db2.gz DMQGRDYPMUHEMP-ZFWWWQNUSA-N 2 0 260.385 1.544 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000378675317 482777211 /nfs/dbraw/zinc/77/72/11/482777211.db2.gz ONSZCLPPVUIDNL-GXTWGEPZSA-N 2 0 265.401 1.058 10 0 CDAERP CO[C@H]1CCC[C@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)C1 ZINC000684378002 482782249 /nfs/dbraw/zinc/78/22/49/482782249.db2.gz QUZOUVQTJLSTPZ-IRXDYDNUSA-N 2 0 297.487 1.807 10 0 CDAERP C[NH+](C)C1(CNC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)CCC1 ZINC000334951981 482787331 /nfs/dbraw/zinc/78/73/31/482787331.db2.gz LDSMBRBQDUXLPQ-HNNXBMFYSA-N 2 0 294.443 1.256 10 0 CDAERP CN(C)c1cc[nH+]cc1C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000584358111 482896889 /nfs/dbraw/zinc/89/68/89/482896889.db2.gz HDYDEVYQISHILN-UHFFFAOYSA-N 2 0 288.395 1.491 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000678138926 482958770 /nfs/dbraw/zinc/95/87/70/482958770.db2.gz BWWFHRBFNZCHHG-UHFFFAOYSA-N 2 0 250.390 1.964 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000250641297 483021505 /nfs/dbraw/zinc/02/15/05/483021505.db2.gz HJCOAAYWNIEKOO-FQUUOJAGSA-N 2 0 265.401 1.104 10 0 CDAERP C[C@H](CC(=O)N[C@H]1CCC[N@H+](C)C1)[C@H]1CCC[NH2+]C1 ZINC000251453202 483042345 /nfs/dbraw/zinc/04/23/45/483042345.db2.gz BXXBGGJHTRSNAF-RDBSUJKOSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000251923689 483089054 /nfs/dbraw/zinc/08/90/54/483089054.db2.gz YEUXBHIKFSPUET-JHJVBQTASA-N 2 0 253.390 1.055 10 0 CDAERP O=C(NCC[NH2+]C1CC1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000667148557 483110771 /nfs/dbraw/zinc/11/07/71/483110771.db2.gz AMWJGLGBDZJKPI-UHFFFAOYSA-N 2 0 286.339 1.141 10 0 CDAERP CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@H](C)[NH+](CC)CC ZINC000675178589 483241200 /nfs/dbraw/zinc/24/12/00/483241200.db2.gz WXDVLNZBEAGXAI-CABCVRRESA-N 2 0 298.475 1.890 10 0 CDAERP CCN(CCC[NH+](CC)CC)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000682658027 483318996 /nfs/dbraw/zinc/31/89/96/483318996.db2.gz ISDBBJVQDXWNFN-HNNXBMFYSA-N 2 0 298.475 1.844 10 0 CDAERP C[C@@H]1C[C@H]([NH2+][C@H]2CO[C@H](C3CC3)C2)CN1C1CC1 ZINC000667905260 483475572 /nfs/dbraw/zinc/47/55/72/483475572.db2.gz MAQPAEOZONKALG-ZRQNBYAXSA-N 2 0 250.386 1.769 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000667982661 483510474 /nfs/dbraw/zinc/51/04/74/483510474.db2.gz MSEGOSCPEDQLHR-HUUCEWRRSA-N 2 0 270.417 1.502 10 0 CDAERP CCC[N@H+](C)CCOCCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001691600237 1160713856 /nfs/dbraw/zinc/71/38/56/1160713856.db2.gz KHLMROKILPUVJK-HNNXBMFYSA-N 2 0 299.459 1.288 10 0 CDAERP CC[NH2+]CCC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000061298349 519916309 /nfs/dbraw/zinc/91/63/09/519916309.db2.gz NFCSRPFLPHDNOO-UHFFFAOYSA-N 2 0 255.406 1.367 10 0 CDAERP CCC[NH2+]Cc1cn(CC[N@H+](CC)C2CC2)nn1 ZINC000052452056 519963340 /nfs/dbraw/zinc/96/33/40/519963340.db2.gz ADFWHIJHRKCSRA-UHFFFAOYSA-N 2 0 251.378 1.262 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000061267139 519963675 /nfs/dbraw/zinc/96/36/75/519963675.db2.gz NVASXFAGFAVHTO-RYUDHWBXSA-N 2 0 283.441 1.713 10 0 CDAERP CC[NH2+][C@@H]1CCCCC[C@H]1N1CC[C@H]([NH+](C)C)C1 ZINC000062964928 520115973 /nfs/dbraw/zinc/11/59/73/520115973.db2.gz MSXSGLSYJIGEFM-RRFJBIMHSA-N 2 0 253.434 1.933 10 0 CDAERP CCO[C@@H](C[NH3+])CC[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000062740915 520307283 /nfs/dbraw/zinc/30/72/83/520307283.db2.gz BOLSHJRVKXVUHF-HUUCEWRRSA-N 2 0 263.385 1.972 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1Cc1ccc(C[NH3+])cc1F ZINC000061642640 521870850 /nfs/dbraw/zinc/87/08/50/521870850.db2.gz DJTUFWKJCRDRMT-CQSZACIVSA-N 2 0 265.376 1.810 10 0 CDAERP C[NH2+]Cc1coc(CN2CCC([NH+](C)C)CC2)c1 ZINC000052477713 522148978 /nfs/dbraw/zinc/14/89/78/522148978.db2.gz LQNHYVKWTGAKBP-UHFFFAOYSA-N 2 0 251.374 1.525 10 0 CDAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+](C)CC1CC1 ZINC001717487272 1180703803 /nfs/dbraw/zinc/70/38/03/1180703803.db2.gz HNRPXVGITBBOOM-OLZOCXBDSA-N 2 0 267.417 1.175 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]CCC(C)C ZINC001731916919 1182678008 /nfs/dbraw/zinc/67/80/08/1182678008.db2.gz GFNTYRRWXBRJDN-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC)[C@H]2C1 ZINC001410927776 1161964218 /nfs/dbraw/zinc/96/42/18/1161964218.db2.gz PHWIQEOEEKOYJU-HRCADAONSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)(C)[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000055163072 518711496 /nfs/dbraw/zinc/71/14/96/518711496.db2.gz FRWFMUYPBUCMTA-ZIAGYGMSSA-N 2 0 281.444 1.694 10 0 CDAERP CC(C)(C)[NH+]1CCN(Cc2cccnc2C(N)=[NH2+])CC1 ZINC000061658162 518712854 /nfs/dbraw/zinc/71/28/54/518712854.db2.gz RNYZFKGUQVSFAL-UHFFFAOYSA-N 2 0 275.400 1.282 10 0 CDAERP CC(C)[NH2+]CC1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000068890156 519720140 /nfs/dbraw/zinc/72/01/40/519720140.db2.gz UJTYDNDGJWEIMD-LLVKDONJSA-N 2 0 268.323 1.620 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CC[C@H](C[NH+]2CCN(C3CC3)CC2)O1 ZINC000052371396 519723896 /nfs/dbraw/zinc/72/38/96/519723896.db2.gz SQJOLCNJCXJZDW-JKSUJKDBSA-N 2 0 281.444 1.312 10 0 CDAERP CC(C)[NH2+]Cc1cn(CC[N@@H+]2CCC[C@H](C)C2)nn1 ZINC000052381417 519728596 /nfs/dbraw/zinc/72/85/96/519728596.db2.gz MTSQVNAJNSZIGR-ZDUSSCGKSA-N 2 0 265.405 1.508 10 0 CDAERP CC(C)[NH2+]Cc1nc(COCC[NH+](C)C)cs1 ZINC000052669356 519729091 /nfs/dbraw/zinc/72/90/91/519729091.db2.gz DFGLQXUHBUNMAF-UHFFFAOYSA-N 2 0 257.403 1.719 10 0 CDAERP CC(C)[NH2+]Cc1nccn1CC[NH+]1CCCCC1 ZINC000051005550 519729347 /nfs/dbraw/zinc/72/93/47/519729347.db2.gz UUNCSRMKISULAW-UHFFFAOYSA-N 2 0 250.390 1.867 10 0 CDAERP CC(C)C[NH2+]Cc1cn(CC[N@@H+]2CCC[C@H]2C)nn1 ZINC000052375932 519748131 /nfs/dbraw/zinc/74/81/31/519748131.db2.gz SWTNRDHQWQTELU-CYBMUJFWSA-N 2 0 265.405 1.508 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@@H](C[NH+]2CCN(C3CC3)CC2)O1 ZINC000052371394 519924945 /nfs/dbraw/zinc/92/49/45/519924945.db2.gz HBMLCEYFUVPETL-HOTGVXAUSA-N 2 0 281.444 1.314 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@H](C[N@@H+]2CCCSCC2)O1 ZINC000052371149 519927646 /nfs/dbraw/zinc/92/76/46/519927646.db2.gz HOJFVJZZWZJGKL-UONOGXRCSA-N 2 0 272.458 1.973 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)N[C@@H](C)CCC[NH+](CC)CC ZINC000061227640 519963561 /nfs/dbraw/zinc/96/35/61/519963561.db2.gz MPQGZSXKKIHLNS-KBPBESRZSA-N 2 0 271.449 1.859 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@H](C[N@H+](C)Cc2ccccn2)O1 ZINC000052478880 519978967 /nfs/dbraw/zinc/97/89/67/519978967.db2.gz HPLREGQRDXAHNQ-HUUCEWRRSA-N 2 0 263.385 1.671 10 0 CDAERP CCCCCC[C@](C)(C[NH3+])N1CCN(CC[NH+](C)C)CC1 ZINC000061643215 520136034 /nfs/dbraw/zinc/13/60/34/520136034.db2.gz HRMCWMXCAUSXEY-QGZVFWFLSA-N 2 0 298.519 1.853 10 0 CDAERP CC[NH+](CC)CCNC(=O)[C@@H]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000055123021 520679364 /nfs/dbraw/zinc/67/93/64/520679364.db2.gz DFNAKPFSLCURBB-YNEHKIRRSA-N 2 0 255.406 1.208 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000337329344 520857283 /nfs/dbraw/zinc/85/72/83/520857283.db2.gz SEVRKSQMHSRVCY-ILXRZTDVSA-N 2 0 296.459 1.643 10 0 CDAERP CC1CC[NH+](CCNC(=O)[C@H]2CCC[C@@H](C)[C@@H]2[NH3+])CC1 ZINC000055136665 521013465 /nfs/dbraw/zinc/01/34/65/521013465.db2.gz PNYZZSUTPKMILO-ILXRZTDVSA-N 2 0 281.444 1.598 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000055090315 521550656 /nfs/dbraw/zinc/55/06/56/521550656.db2.gz AHLPCANLYFLGEU-UONOGXRCSA-N 2 0 267.417 1.352 10 0 CDAERP CCC(CC)[N@H+](CCO)Cc1cccnc1C[NH3+] ZINC000061656800 521553685 /nfs/dbraw/zinc/55/36/85/521553685.db2.gz DNZBMWHIPRGFTF-UHFFFAOYSA-N 2 0 251.374 1.523 10 0 CDAERP CC[NH+]1CCC(N(C)[C@]2(C[NH3+])CCCSC2)CC1 ZINC000061590247 521567160 /nfs/dbraw/zinc/56/71/60/521567160.db2.gz LYKPEOJANHTCGD-AWEZNQCLSA-N 2 0 271.474 1.627 10 0 CDAERP CCOc1ccccc1[C@@H](CN1CC[C@H]([NH+](C)C)C1)[NH2+]C ZINC000062965055 521577631 /nfs/dbraw/zinc/57/76/31/521577631.db2.gz NFAUGMIEWKNLQE-GOEBONIOSA-N 2 0 291.439 1.982 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000049227360 521647334 /nfs/dbraw/zinc/64/73/34/521647334.db2.gz DLPCDVQESPJUTL-AWEZNQCLSA-N 2 0 276.384 1.751 10 0 CDAERP CCOC1CC[NH+](C[C@@H]2CC[C@@H](C[NH2+]C)O2)CC1 ZINC000052484077 521656311 /nfs/dbraw/zinc/65/63/11/521656311.db2.gz QYXNPBDSFCEBTJ-KBPBESRZSA-N 2 0 256.390 1.254 10 0 CDAERP CC[NH+]1CCN(C[C@H]2CC[C@H](C[NH2+]CC(C)C)O2)CC1 ZINC000052422517 521687079 /nfs/dbraw/zinc/68/70/79/521687079.db2.gz HUQXXTSVIZKQFV-HZPDHXFCSA-N 2 0 283.460 1.417 10 0 CDAERP CC[N@@H+]1CC[C@@H](C[NH2+]CCOCC(F)(F)F)C1 ZINC000049310998 521710274 /nfs/dbraw/zinc/71/02/74/521710274.db2.gz IAZSLSZKZUEHLL-JTQLQIEISA-N 2 0 254.296 1.497 10 0 CDAERP C[NH+](C)CCN1CCN(CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000061652487 521765418 /nfs/dbraw/zinc/76/54/18/521765418.db2.gz YATVMRMNEVCYAT-QGZVFWFLSA-N 2 0 290.455 1.256 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000061652410 521868126 /nfs/dbraw/zinc/86/81/26/521868126.db2.gz ZZXKPXUFOQDYAD-JONQDZQNSA-N 2 0 265.445 1.933 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1c1ncccc1C[NH2+]C1CC1 ZINC000061654205 521876904 /nfs/dbraw/zinc/87/69/04/521876904.db2.gz CROCVWJHWRFUHE-OAHLLOKOSA-N 2 0 274.412 1.864 10 0 CDAERP C[NH2+]Cc1c(N2CCC[C@H]2C[NH+](C)C)nc2ccccn21 ZINC000061646083 522099716 /nfs/dbraw/zinc/09/97/16/522099716.db2.gz UMTDOBPQVCPSDF-ZDUSSCGKSA-N 2 0 287.411 1.584 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(CC2(C[NH3+])CCOCC2)CC1 ZINC000055072783 522119095 /nfs/dbraw/zinc/11/90/95/522119095.db2.gz GHVGBKQJTPLXEE-CQSZACIVSA-N 2 0 269.433 1.158 10 0 CDAERP C[NH2+]Cc1ccc(OCC[NH+]2CCSCC2)cc1 ZINC000052425603 522121415 /nfs/dbraw/zinc/12/14/15/522121415.db2.gz KTRBPKBSTRXMIM-UHFFFAOYSA-N 2 0 266.410 1.834 10 0 CDAERP C[NH2+]Cc1ccccc1OCCN1CCC[C@H]1C[NH+](C)C ZINC000061654438 522140511 /nfs/dbraw/zinc/14/05/11/522140511.db2.gz IAJKEMHNUSMAMF-INIZCTEOSA-N 2 0 291.439 1.811 10 0 CDAERP C[NH2+]Cc1cn(CC[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)nn1 ZINC000052482309 522142665 /nfs/dbraw/zinc/14/26/65/522142665.db2.gz GFIIMQYLNINFHP-ZIAGYGMSSA-N 2 0 277.416 1.510 10 0 CDAERP C[NH2+]Cc1cn(CC[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)nn1 ZINC000052482308 522143952 /nfs/dbraw/zinc/14/39/52/522143952.db2.gz GFIIMQYLNINFHP-UONOGXRCSA-N 2 0 277.416 1.510 10 0 CDAERP CC[C@H]1CC[C@H]([NH2+]C)[C@H](N2CC[C@H]([NH+](C)C)C2)C1 ZINC000062965290 523204885 /nfs/dbraw/zinc/20/48/85/523204885.db2.gz SFNXWXLYMGHMLT-ZQDZILKHSA-N 2 0 253.434 1.789 10 0 CDAERP COCC[NH+](CCOC)[C@H](C)CCC[NH2+]CC(C)C ZINC000052571463 523723446 /nfs/dbraw/zinc/72/34/46/523723446.db2.gz QDQMFLKFRHAJNK-OAHLLOKOSA-N 2 0 274.449 1.996 10 0 CDAERP C[NH+]1CCC(C[N@H+]2[C@@H]3CCC[C@H]2CC(=O)C3)CC1 ZINC000054601200 523761841 /nfs/dbraw/zinc/76/18/41/523761841.db2.gz NLZAVEWILILCTL-OKILXGFUSA-N 2 0 250.386 1.914 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)CCC2CCC([NH3+])CC2)C1 ZINC000055136326 523842295 /nfs/dbraw/zinc/84/22/95/523842295.db2.gz MBYIJSRNLUCJPN-RUXDESIVSA-N 2 0 267.417 1.495 10 0 CDAERP CC[C@H](C)[NH+]1CCN([C@@H](C)C[NH2+]CCCOC)CC1 ZINC000055075289 523958440 /nfs/dbraw/zinc/95/84/40/523958440.db2.gz UZZQWRLTBXEIJS-GJZGRUSLSA-N 2 0 271.449 1.417 10 0 CDAERP CC[C@H](C)[NH+]1CCN(c2c(C[NH3+])c(C)nn2C)CC1 ZINC000055068628 523959224 /nfs/dbraw/zinc/95/92/24/523959224.db2.gz FKVSHFNPCJQKNW-NSHDSACASA-N 2 0 265.405 1.108 10 0 CDAERP C[C@H]1CCC[C@@H](C(=O)NCC(C)(C)C[NH+](C)C)[C@@H]1[NH3+] ZINC000055125303 524127142 /nfs/dbraw/zinc/12/71/42/524127142.db2.gz YUSHYHKFNOGGGS-YNEHKIRRSA-N 2 0 269.433 1.454 10 0 CDAERP C[C@@H]1CCCC[C@H]1[N@H+](C)CCn1cc(C[NH3+])nn1 ZINC000052546779 524161979 /nfs/dbraw/zinc/16/19/79/524161979.db2.gz NSJRYYSKXYRIGQ-DGCLKSJQSA-N 2 0 251.378 1.247 10 0 CDAERP C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc(F)ccc1C[NH3+] ZINC000069401393 524390147 /nfs/dbraw/zinc/39/01/47/524390147.db2.gz QOBKXPOOLWGADQ-JQWIXIFHSA-N 2 0 279.359 1.370 10 0 CDAERP C[C@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)NCC[NH+]1CCCCC1 ZINC000055138377 524414840 /nfs/dbraw/zinc/41/48/40/524414840.db2.gz RMVSSEIQKDLNDQ-IHRRRGAJSA-N 2 0 267.417 1.352 10 0 CDAERP C[C@H](CNC(=O)c1ccc(C[NH+](C)C)nc1)[N@H+](C)C1CC1 ZINC000339269041 524461530 /nfs/dbraw/zinc/46/15/30/524461530.db2.gz DZRRZGBWNUOODT-GFCCVEGCSA-N 2 0 290.411 1.356 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)CC1CCC([NH3+])CC1 ZINC000055141892 524601567 /nfs/dbraw/zinc/60/15/67/524601567.db2.gz FHEIKUSUQUQGPL-NFOMZHRRSA-N 2 0 281.444 1.885 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC000055141877 524605575 /nfs/dbraw/zinc/60/55/75/524605575.db2.gz YVLKQTZFXXQORK-BARDWOONSA-N 2 0 281.444 1.741 10 0 CDAERP C[C@H]1C[C@@H]([NH3+])CC[C@@H]1C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC000055141119 524789006 /nfs/dbraw/zinc/78/90/06/524789006.db2.gz PYCIYQPIZACWLA-IHRRRGAJSA-N 2 0 281.444 1.693 10 0 CDAERP C[C@@H]([NH3+])[C@@H](c1cccnc1)N1CCC[C@@H]1C[NH+](C)C ZINC000061642232 525006640 /nfs/dbraw/zinc/00/66/40/525006640.db2.gz MFPMJDQLLCNSPS-YUELXQCFSA-N 2 0 262.401 1.496 10 0 CDAERP C[C@@H]1C[C@H](C(=O)NCC[NH+]2CCCCCC2)CC[C@@H]1[NH3+] ZINC000055136211 525360339 /nfs/dbraw/zinc/36/03/39/525360339.db2.gz KRWBRYKBIVLBBN-KFWWJZLASA-N 2 0 281.444 1.742 10 0 CDAERP C[C@@H]1c2ccsc2CC[N@H+]1CCn1cc(C[NH3+])nn1 ZINC000052505467 525735385 /nfs/dbraw/zinc/73/53/85/525735385.db2.gz UPMNXSARBVVKQJ-SNVBAGLBSA-N 2 0 277.397 1.418 10 0 CDAERP NC(=[NH2+])c1ccc(C[N@@H+]2CCC[C@@H]2CCCO)c(F)c1 ZINC000052760533 526822210 /nfs/dbraw/zinc/82/22/10/526822210.db2.gz BKCDPYWQJZMPNN-CYBMUJFWSA-N 2 0 279.359 1.847 10 0 CDAERP [NH3+]C1CCC(CC(=O)NCC[NH+]2CCCC2)CC1 ZINC000055131635 527139357 /nfs/dbraw/zinc/13/93/57/527139357.db2.gz FQAXPDYVESFKEY-UHFFFAOYSA-N 2 0 253.390 1.106 10 0 CDAERP [NH3+]C[C@H]1CC[C@H](C[NH+]2CCN(Cc3ccccc3)CC2)O1 ZINC000052417119 527241000 /nfs/dbraw/zinc/24/10/00/527241000.db2.gz SLPLUEQNTIGCTE-IAGOWNOFSA-N 2 0 289.423 1.311 10 0 CDAERP NNc1[nH+]cccc1C[N@@H+]1CCC[C@@H]1CCCO ZINC000052763243 527288548 /nfs/dbraw/zinc/28/85/48/527288548.db2.gz WMMHBAXDHNMVIQ-GFCCVEGCSA-N 2 0 250.346 1.104 10 0 CDAERP CCC(CC)[C@H](CNC(=O)NCCC[NH3+])[NH+]1CCCC1 ZINC000416959457 535142712 /nfs/dbraw/zinc/14/27/12/535142712.db2.gz QCCSDWJTVWRMBW-AWEZNQCLSA-N 2 0 284.448 1.535 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H](c1ccco1)N1CCCC1 ZINC000234788541 536850808 /nfs/dbraw/zinc/85/08/08/536850808.db2.gz UVBNIUYUKWQDEW-LSDHHAIUSA-N 2 0 295.427 1.760 10 0 CDAERP CC[C@H](C)C[C@H]([NH3+])CNc1ccnn1C1C[NH2+]C1 ZINC000725258640 538452944 /nfs/dbraw/zinc/45/29/44/538452944.db2.gz VNNYQGGZPAVFPT-QWRGUYRKSA-N 2 0 251.378 1.203 10 0 CDAERP Cc1nn(C)c2sc([C@H]3C[NH2+]CC[C@@H]3[NH3+])cc12 ZINC000757215883 574907579 /nfs/dbraw/zinc/90/75/79/574907579.db2.gz OJELUPQABGHRJM-UWVGGRQHSA-N 2 0 250.371 1.347 10 0 CDAERP CCNC(=S)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000741872902 576576982 /nfs/dbraw/zinc/57/69/82/576576982.db2.gz CGNDZXJNMHDVBM-UHFFFAOYSA-N 2 0 298.500 1.421 10 0 CDAERP COC(=O)/C(C)=C/C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000746503135 576780656 /nfs/dbraw/zinc/78/06/56/576780656.db2.gz VYPMKTRPNOQUHO-LZWSPWQCSA-N 2 0 296.411 1.150 10 0 CDAERP CCc1nncn1CC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925514752 617421709 /nfs/dbraw/zinc/42/17/09/617421709.db2.gz LQMKZEHSGBXWGI-NEPJUHHUSA-N 2 0 265.405 1.336 10 0 CDAERP OCCOCCC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925631516 617577337 /nfs/dbraw/zinc/57/73/37/617577337.db2.gz HOSMNUODFVTLIJ-LSDHHAIUSA-N 2 0 270.417 1.143 10 0 CDAERP C[NH+](C)CCc1ccccc1NC(=O)NC[C@H]1CC[N@@H+]1C ZINC000931017736 617581262 /nfs/dbraw/zinc/58/12/62/617581262.db2.gz FOGANILMTBOKNB-CQSZACIVSA-N 2 0 290.411 1.616 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(CC(N)=O)cc1 ZINC000926444806 617798101 /nfs/dbraw/zinc/79/81/01/617798101.db2.gz VQDDLVVYWQVHSA-FKEKPDDDSA-N 2 0 287.407 1.144 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](O)c1c(F)cccc1F ZINC000925765791 617607908 /nfs/dbraw/zinc/60/79/08/617607908.db2.gz FJQZMSAXXIWTBO-GXFFZTMASA-N 2 0 288.338 1.342 10 0 CDAERP CC1(C)[C@H]([NH2+]CCC2(O)CCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925664652 617615505 /nfs/dbraw/zinc/61/55/05/617615505.db2.gz GAFIXMFWBXAYBH-FRRDWIJNSA-N 2 0 252.402 1.658 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925669932 617628134 /nfs/dbraw/zinc/62/81/34/617628134.db2.gz ZDZSMCIDNDMWFC-MJBXVCDLSA-N 2 0 253.434 1.966 10 0 CDAERP C[C@H](Cc1cnccn1)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925775509 617665847 /nfs/dbraw/zinc/66/58/47/617665847.db2.gz GVSGDRTUUOXPLV-MNOVXSKESA-N 2 0 270.327 1.242 10 0 CDAERP C(C[NH2+]C1CC1)N[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925691845 617698011 /nfs/dbraw/zinc/69/80/11/617698011.db2.gz KDTJJDKKVCEDMY-GJZGRUSLSA-N 2 0 251.418 1.496 10 0 CDAERP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccsc1 ZINC000925809474 617751034 /nfs/dbraw/zinc/75/10/34/617751034.db2.gz ITRWVKXMFOAPRC-LLVKDONJSA-N 2 0 253.415 1.822 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C12CCC2 ZINC000925703155 617763975 /nfs/dbraw/zinc/76/39/75/617763975.db2.gz CUJMSJOPZQDNRX-QDIHITRGSA-N 3 0 292.471 1.062 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H](N[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000925713702 617818873 /nfs/dbraw/zinc/81/88/73/617818873.db2.gz XZTIUYPYQQAURS-MXWKQRLJSA-N 2 0 261.360 1.479 10 0 CDAERP CCS(=O)(=O)c1ccccc1CC[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000925834708 617862944 /nfs/dbraw/zinc/86/29/44/617862944.db2.gz OIUAVXWIZNGRDQ-STQMWFEESA-N 2 0 298.452 1.738 10 0 CDAERP C[C@H]1C[C@H]([NH2+]CCCCCN2CC[NH2+]CC2)c2nccn21 ZINC000925844988 617879207 /nfs/dbraw/zinc/87/92/07/617879207.db2.gz DPKYJCPKGVKEJY-GJZGRUSLSA-N 2 0 291.443 1.554 10 0 CDAERP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)C(C)(C)CO ZINC000924957304 618409426 /nfs/dbraw/zinc/40/94/26/618409426.db2.gz FVMQXDGTXNLFLW-CQSZACIVSA-N 2 0 285.476 1.257 10 0 CDAERP CC(C)([NH3+])CC(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000870990624 620566078 /nfs/dbraw/zinc/56/60/78/620566078.db2.gz AIRMQQCNTNNKGQ-CQSZACIVSA-N 2 0 255.406 1.337 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000925241233 620610296 /nfs/dbraw/zinc/61/02/96/620610296.db2.gz NZMKSPYLRGHLAG-IXDOHACOSA-N 2 0 297.487 1.950 10 0 CDAERP CC(C)C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)C1CCOCC1 ZINC000902813627 625465693 /nfs/dbraw/zinc/46/56/93/625465693.db2.gz FCHVUUMBLGFNHE-INIZCTEOSA-N 2 0 298.471 1.874 10 0 CDAERP CC[C@H](C[C@](C)(O)CC)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000924628826 621599228 /nfs/dbraw/zinc/59/92/28/621599228.db2.gz LTYVLXUJHXGHIP-NVXWUHKLSA-N 2 0 299.503 1.932 10 0 CDAERP CC(C)(C)[NH+]1CCC([NH2+]CC[C@@H]2CNC(=O)C2)CC1 ZINC000926985056 621644787 /nfs/dbraw/zinc/64/47/87/621644787.db2.gz DQRCGTFPBQEJPP-LBPRGKRZSA-N 2 0 267.417 1.365 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CO[C@@H](C)[C@H]2C)CC1 ZINC000924670915 621648076 /nfs/dbraw/zinc/64/80/76/621648076.db2.gz ODBLRAUVRDBDSD-APIJFGDWSA-N 2 0 269.433 1.025 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CO[C@H](C)[C@H]2C)CC1 ZINC000924670917 621648356 /nfs/dbraw/zinc/64/83/56/621648356.db2.gz ODBLRAUVRDBDSD-KBUPBQIOSA-N 2 0 269.433 1.025 10 0 CDAERP CC(C)C[C@@H](CNC(=[NH2+])N[C@H](C)C1CC1)[NH+](C)C ZINC000899266705 622131279 /nfs/dbraw/zinc/13/12/79/622131279.db2.gz VEBBPDRYLAEHNT-YPMHNXCESA-N 2 0 254.422 1.875 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H](CO)Cc1ccccc1 ZINC000924757020 622274426 /nfs/dbraw/zinc/27/44/26/622274426.db2.gz PRPOBFKZDBTIMY-XNHLSEOASA-N 2 0 288.435 1.767 10 0 CDAERP CN(C(=O)[C@H]1CC[N@@H+]1C(C)(C)C)[C@H]1C[NH+]2CCC1CC2 ZINC000900660269 623339535 /nfs/dbraw/zinc/33/95/35/623339535.db2.gz CRJLIHLAVMSLBF-KGLIPLIRSA-N 2 0 279.428 1.412 10 0 CDAERP C[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H](C(F)(F)F)O1 ZINC000903439519 625992036 /nfs/dbraw/zinc/99/20/36/625992036.db2.gz JJEXZTFJBXGKHJ-ZNSHCXBVSA-N 2 0 266.307 1.765 10 0 CDAERP CCC(C)(C)N1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903463641 625996433 /nfs/dbraw/zinc/99/64/33/625996433.db2.gz HHLZKXUSIIIGBH-KGLIPLIRSA-N 2 0 253.434 1.920 10 0 CDAERP CC(C)NC(=O)[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903464872 625996437 /nfs/dbraw/zinc/99/64/37/625996437.db2.gz YWDHRSDQQHSNPW-MCIONIFRSA-N 2 0 267.417 1.350 10 0 CDAERP C([NH2+][C@H]1CC[NH2+]C12CCCC2)[C@@H]1C[C@]12CCOC2 ZINC000903481955 626006103 /nfs/dbraw/zinc/00/61/03/626006103.db2.gz RVOCUZXNQQMHFM-IHRRRGAJSA-N 2 0 250.386 1.677 10 0 CDAERP [NH3+][C@@H]1CN(CC[C@H]2CCC[NH2+]C2)C[C@H]1C(F)(F)F ZINC000903514210 626013406 /nfs/dbraw/zinc/01/34/06/626013406.db2.gz MXEIYWIFPKARDE-GMTAPVOTSA-N 2 0 265.323 1.198 10 0 CDAERP [NH3+]CCCCCCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903507111 626015207 /nfs/dbraw/zinc/01/52/07/626015207.db2.gz NFNCYWSUNRMHAL-CALCHBBNSA-N 3 0 294.487 1.406 10 0 CDAERP [NH3+][C@H]1CN(CC2CC[NH2+]CC2)CC[C@H]1C(F)(F)F ZINC000903535330 626018711 /nfs/dbraw/zinc/01/87/11/626018711.db2.gz YLXMQEIPHYERMZ-MNOVXSKESA-N 2 0 265.323 1.198 10 0 CDAERP c1csc(C[C@@H]2CCC[N@@H+](CCN3CC[NH2+]CC3)C2)n1 ZINC000903565710 626021453 /nfs/dbraw/zinc/02/14/53/626021453.db2.gz OSYMSUNIKPQEFK-AWEZNQCLSA-N 2 0 294.468 1.303 10 0 CDAERP CC(C)[NH+]1CCN(CCCN2C[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000903556978 626024887 /nfs/dbraw/zinc/02/48/87/626024887.db2.gz IYPGUHCDXAHXBS-OAHLLOKOSA-N 2 0 282.476 1.072 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@H+](CCCCO)C2CC2)cnn1C ZINC000903893198 626134534 /nfs/dbraw/zinc/13/45/34/626134534.db2.gz SFKBOXPDAITWHV-CQSZACIVSA-N 2 0 294.443 1.083 10 0 CDAERP COC(=O)[C@]1(C)CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903898215 626137007 /nfs/dbraw/zinc/13/70/07/626137007.db2.gz MLUCNEXPAJGZRK-VYHDIPPYSA-N 2 0 266.385 1.402 10 0 CDAERP O=C1CC2(CN1)CC[NH+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000903909459 626143183 /nfs/dbraw/zinc/14/31/83/626143183.db2.gz VDFCLLMIFLGZCP-AGUYFDCRSA-N 2 0 277.412 1.119 10 0 CDAERP C[C@]1([NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)CC=CCC1 ZINC000903929939 626150494 /nfs/dbraw/zinc/15/04/94/626150494.db2.gz ONJIRVWXLKFPKY-ZFWWWQNUSA-N 2 0 275.400 1.791 10 0 CDAERP c1nnn([C@@H]2CCC[NH2+]C2)c1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000903929998 626150504 /nfs/dbraw/zinc/15/05/04/626150504.db2.gz PSRBPRUNTJJUCZ-RJZRQDKASA-N 2 0 275.400 1.481 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CC[C@@]3(CC3(F)F)C2)cnn1C ZINC000903931432 626151693 /nfs/dbraw/zinc/15/16/93/626151693.db2.gz DPMCEISGAUNSDM-GXTWGEPZSA-N 2 0 298.381 1.577 10 0 CDAERP c1nnn([C@@H]2CCC[NH2+]C2)c1C[NH2+][C@@H]1CCCC12CC2 ZINC000903935429 626153929 /nfs/dbraw/zinc/15/39/29/626153929.db2.gz PIZQCDMVAJKYDL-TZMCWYRMSA-N 2 0 275.400 1.625 10 0 CDAERP COCCC1([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]CC1 ZINC000903937464 626155630 /nfs/dbraw/zinc/15/56/30/626155630.db2.gz LITSHFJXUFFCMT-GOOCMWNKSA-N 3 0 281.444 1.265 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CCN(C[C@H]([NH3+])CC(F)F)C1 ZINC000903938060 626155676 /nfs/dbraw/zinc/15/56/76/626155676.db2.gz YSOAGNCWTXAVMV-MFKMUULPSA-N 2 0 263.376 1.666 10 0 CDAERP [NH3+]CCN(Cc1cccc(Cl)c1)C[C@]12C[C@H]1C[NH2+]C2 ZINC000903953442 626166201 /nfs/dbraw/zinc/16/62/01/626166201.db2.gz FUCCTKJIZROSEW-DZGCQCFKSA-N 2 0 279.815 1.710 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)CC[NH2+]1 ZINC000903955044 626166671 /nfs/dbraw/zinc/16/66/71/626166671.db2.gz ZFENNUXIUNYDCZ-KBUPBQIOSA-N 2 0 252.402 1.875 10 0 CDAERP CC[N@@H+]1CC[C@H](NC[C@H]2C[NH2+]CCC2(F)F)[C@H](C)C1 ZINC000903956387 626167323 /nfs/dbraw/zinc/16/73/23/626167323.db2.gz KKDNRXHBNLGXEM-UPJWGTAASA-N 2 0 275.387 1.551 10 0 CDAERP C[C@@H]1C[C@H](CN2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CC[NH2+]1 ZINC000903983206 626168013 /nfs/dbraw/zinc/16/80/13/626168013.db2.gz CQWIQEUNIIUQMH-DDHJBXDOSA-N 3 0 279.350 1.586 10 0 CDAERP CCC(=O)N1CCC([NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903974748 626169321 /nfs/dbraw/zinc/16/93/21/626169321.db2.gz RIVNRUZPTMSUHL-CHWSQXEVSA-N 2 0 267.417 1.223 10 0 CDAERP CCOc1cccc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)n1 ZINC000903977573 626169969 /nfs/dbraw/zinc/16/99/69/626169969.db2.gz VBLCTOAAAOSELW-CHWSQXEVSA-N 2 0 263.385 1.897 10 0 CDAERP Cc1ccc2ncc(C[NH2+]C[C@@H]3C[NH2+]C[C@H]3C)n2c1 ZINC000903964925 626171895 /nfs/dbraw/zinc/17/18/95/626171895.db2.gz UPOKQVKKTYRMGC-OLZOCXBDSA-N 2 0 258.369 1.588 10 0 CDAERP CC[N@H+](CCNC(=[NH2+])NC[C@H]1CCCS1)C1CC1 ZINC000905041065 626380364 /nfs/dbraw/zinc/38/03/64/626380364.db2.gz DVYHNDRFHZQTRW-GFCCVEGCSA-N 2 0 270.446 1.480 10 0 CDAERP C[N@@H+]1CCC[C@@H](CNC(=[NH2+])NC[C@@H]2CCCS2)C1 ZINC000905043490 626382570 /nfs/dbraw/zinc/38/25/70/626382570.db2.gz VPJVTLHSSATPCB-RYUDHWBXSA-N 2 0 270.446 1.338 10 0 CDAERP C(CC1CC[NH2+]CC1)c1nc(CC2CC[NH2+]CC2)no1 ZINC000905312818 626743714 /nfs/dbraw/zinc/74/37/14/626743714.db2.gz DRRBKSXFWHNOOP-UHFFFAOYSA-N 2 0 278.400 1.544 10 0 CDAERP O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC000911582946 629340265 /nfs/dbraw/zinc/34/02/65/629340265.db2.gz BBPDXYXJLMMOMC-LZWOXQAQSA-N 2 0 277.412 1.215 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+]3CCC3)C2)CC[N@@H+]1C ZINC000912903195 630295886 /nfs/dbraw/zinc/29/58/86/630295886.db2.gz PUBQUKUJAFSQSM-HZSPNIEDSA-N 2 0 265.401 1.023 10 0 CDAERP C[N@@H+]1C[C@@]2(C)CN(C(=O)CC3CC[NH+](C)CC3)C[C@@]2(C)C1 ZINC000913282165 630433444 /nfs/dbraw/zinc/43/34/44/630433444.db2.gz ZGLCYDBJHHPGCA-CALCHBBNSA-N 2 0 293.455 1.519 10 0 CDAERP C[C@@H]1[C@H](NC(=O)N[C@H]2CC[NH+]3CCCC[C@H]23)CC[N@@H+]1C ZINC000914218580 631266945 /nfs/dbraw/zinc/26/69/45/631266945.db2.gz DNPCTSNXIJKYLX-YIYPIFLZSA-N 2 0 280.416 1.005 10 0 CDAERP CCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000920506264 632797813 /nfs/dbraw/zinc/79/78/13/632797813.db2.gz GKCQAVRUIVIXDU-TZMCWYRMSA-N 2 0 282.432 1.253 10 0 CDAERP CC[NH+](CC)C1CCN(C(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC000079518494 1158607758 /nfs/dbraw/zinc/60/77/58/1158607758.db2.gz VMKFOEHLZWBWLE-HNNXBMFYSA-N 2 0 267.417 1.461 10 0 CDAERP CC[C@@H](C)C[N@H+](CC)CCNC(=O)C[NH+]1CCCC1 ZINC001691052524 1158840302 /nfs/dbraw/zinc/84/03/02/1158840302.db2.gz SIHPAZZWUOQJII-CQSZACIVSA-N 2 0 269.433 1.566 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CCCF ZINC001266994415 1159073438 /nfs/dbraw/zinc/07/34/38/1159073438.db2.gz NDBSFHFCEGDFCN-CHWSQXEVSA-N 2 0 273.396 1.315 10 0 CDAERP CC[N@H+](CCNC(=O)N[C@@H]1CC[C@@H]2C[NH+](C)C[C@H]12)C1CC1 ZINC001649280272 1158564462 /nfs/dbraw/zinc/56/44/62/1158564462.db2.gz XREBYZRHIJZIHC-VHDGCEQUSA-N 2 0 294.443 1.110 10 0 CDAERP CC[C@H](C(=O)N(C)CC[NH2+]Cc1oc(C)nc1C)[NH+](C)C ZINC001266741111 1158796767 /nfs/dbraw/zinc/79/67/67/1158796767.db2.gz KJECANPKVCELPD-CYBMUJFWSA-N 2 0 296.415 1.180 10 0 CDAERP CCC[NH2+]C/C=C/CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001268552103 1159968487 /nfs/dbraw/zinc/96/84/87/1159968487.db2.gz JMZXCGFRTRQJAI-NNTXTVRGSA-N 2 0 267.417 1.533 10 0 CDAERP CC/C=C/CC[NH2+]CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001691556581 1160700377 /nfs/dbraw/zinc/70/03/77/1160700377.db2.gz VSDLQXGDLMVTAW-NFAHFFEMSA-N 2 0 281.444 1.733 10 0 CDAERP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+]2CC)C1 ZINC001620492644 1165653870 /nfs/dbraw/zinc/65/38/70/1165653870.db2.gz VUDSIHZWQPTQQN-ZIAGYGMSSA-N 2 0 267.417 1.271 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001633949629 1166461360 /nfs/dbraw/zinc/46/13/60/1166461360.db2.gz KMAUAOBCCMOXIK-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP CC[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC001640948994 1167062626 /nfs/dbraw/zinc/06/26/26/1167062626.db2.gz WRVLFQSWVLQTIX-MJBXVCDLSA-N 2 0 267.417 1.412 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001567138685 1168591445 /nfs/dbraw/zinc/59/14/45/1168591445.db2.gz LXKNOLULSDKIFK-HNNXBMFYSA-N 2 0 293.455 1.733 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CC[NH2+]CC2CC2)C1 ZINC001568050649 1169128050 /nfs/dbraw/zinc/12/80/50/1169128050.db2.gz RCASVEKUHPAKCV-CVEARBPZSA-N 2 0 293.455 1.709 10 0 CDAERP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N3C[C@@H](C)[NH+](C)C[C@H]3C)C[N@@H+]2C1 ZINC001649309109 1169185778 /nfs/dbraw/zinc/18/57/78/1169185778.db2.gz OCWTVCPPJZISMN-SUJAAXHWSA-N 2 0 293.455 1.658 10 0 CDAERP C[NH+](C)C1(C(=O)NC/C=C\C[NH2+]CCCF)CCC1 ZINC001568862592 1169524403 /nfs/dbraw/zinc/52/44/03/1169524403.db2.gz LOTDRJSTGBVFGQ-ARJAWSKDSA-N 2 0 271.380 1.092 10 0 CDAERP CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001570004515 1170057365 /nfs/dbraw/zinc/05/73/65/1170057365.db2.gz KCTXPWWWLWCREE-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001570736123 1170262468 /nfs/dbraw/zinc/26/24/68/1170262468.db2.gz RDQBQFZKBAOBLK-QWHCGFSZSA-N 2 0 255.406 1.175 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCCNc2cc[nH+]cc2)C1 ZINC001650724774 1171253148 /nfs/dbraw/zinc/25/31/48/1171253148.db2.gz BXGVCCGIJCESOQ-ZFWWWQNUSA-N 2 0 290.411 1.152 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](C)CC1(C)C ZINC001652491785 1171444910 /nfs/dbraw/zinc/44/49/10/1171444910.db2.gz QMAJFMKCNUWHGG-QWHCGFSZSA-N 2 0 267.417 1.317 10 0 CDAERP CN(C[C@H]1CC[N@@H+]1CC1CCC1)C(=O)CC[NH+](C)C ZINC001656089450 1171761662 /nfs/dbraw/zinc/76/16/62/1171761662.db2.gz TVZZUWCQQZOCJO-CQSZACIVSA-N 2 0 267.417 1.271 10 0 CDAERP CCC[N@H+](C)CCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001660190557 1172173939 /nfs/dbraw/zinc/17/39/39/1172173939.db2.gz PDKWETLNCOHLNY-HUUCEWRRSA-N 2 0 281.444 1.851 10 0 CDAERP C[NH+](C)CCC(=O)NCc1ccc(C[NH2+]CCF)cc1 ZINC001666340806 1173128312 /nfs/dbraw/zinc/12/83/12/1173128312.db2.gz AEWPFJCOIHUJLW-UHFFFAOYSA-N 2 0 281.375 1.314 10 0 CDAERP CCN(CC[NH2+]CCCF)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001668464402 1173417662 /nfs/dbraw/zinc/41/76/62/1173417662.db2.gz OCKDFNRCGKZYCQ-GJZGRUSLSA-N 2 0 299.434 1.801 10 0 CDAERP CC[C@H](F)C[NH2+]CC[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001672909977 1173808865 /nfs/dbraw/zinc/80/88/65/1173808865.db2.gz JRQGCYRPJOHABF-CABCVRRESA-N 2 0 299.434 1.659 10 0 CDAERP CCOCC[NH2+][C@H](C)[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001674746595 1174001932 /nfs/dbraw/zinc/00/19/32/1174001932.db2.gz CWPXRQZFGPDWJK-CABCVRRESA-N 2 0 299.459 1.238 10 0 CDAERP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CCC([NH2+]CCCF)CC1 ZINC001674812348 1174012113 /nfs/dbraw/zinc/01/21/13/1174012113.db2.gz POADVQHSGWJOID-NFOMZHRRSA-N 2 0 299.434 1.657 10 0 CDAERP CC[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC=C(C)C)C[C@H]21)[NH+](C)C ZINC001675545117 1174126408 /nfs/dbraw/zinc/12/64/08/1174126408.db2.gz MCYASMDIYAOSBL-JONQDZQNSA-N 2 0 293.455 1.587 10 0 CDAERP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H]1C[N@H+](C)CC1(C)C ZINC001597314956 1174265088 /nfs/dbraw/zinc/26/50/88/1174265088.db2.gz VSQXEQMKGFGDOM-RYUDHWBXSA-N 2 0 269.433 1.610 10 0 CDAERP COCC[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001688946244 1175074381 /nfs/dbraw/zinc/07/43/81/1175074381.db2.gz USYJWYYNFYDUDF-HDJSIYSDSA-N 2 0 299.459 1.095 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001690738834 1175560164 /nfs/dbraw/zinc/56/01/64/1175560164.db2.gz DFWPVEHDIFFVFF-HZPDHXFCSA-N 2 0 293.455 1.733 10 0 CDAERP C[C@@H]1CCN(C(=O)CCc2c[nH]cn2)[C@H](C[NH2+]CCF)C1 ZINC001691815256 1175631938 /nfs/dbraw/zinc/63/19/38/1175631938.db2.gz ANZLCWZLMNBMHQ-OCCSQVGLSA-N 2 0 296.390 1.529 10 0 CDAERP CC[N@H+](C)CCC(=O)NCC1C[NH+](CCC(C)C)C1 ZINC001692342098 1175741163 /nfs/dbraw/zinc/74/11/63/1175741163.db2.gz GKDZDCVLBHBRTF-UHFFFAOYSA-N 2 0 269.433 1.422 10 0 CDAERP CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001698939393 1175989576 /nfs/dbraw/zinc/98/95/76/1175989576.db2.gz PWXBEINRDGXKEJ-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H](C[NH2+]CCCF)NC(=O)C[NH+]1CCC(C)CC1 ZINC001699426657 1176389074 /nfs/dbraw/zinc/38/90/74/1176389074.db2.gz WSKAOZLYEBKVEI-ZDUSSCGKSA-N 2 0 273.396 1.172 10 0 CDAERP CCC[N@H+](C)C[C@H](C)NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001699454306 1176418220 /nfs/dbraw/zinc/41/82/20/1176418220.db2.gz ORUGZIXLXOJLOZ-KBPBESRZSA-N 2 0 269.433 1.707 10 0 CDAERP C[NH+]1CCC(C(=O)NCC2([NH2+]CCCCCF)CC2)CC1 ZINC001699662826 1176557304 /nfs/dbraw/zinc/55/73/04/1176557304.db2.gz CHDKBKDZMOOKQS-UHFFFAOYSA-N 2 0 299.434 1.706 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCCF)CC1 ZINC001699675426 1176563761 /nfs/dbraw/zinc/56/37/61/1176563761.db2.gz ISPXFTQBJLBZGW-CYBMUJFWSA-N 2 0 285.407 1.459 10 0 CDAERP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1[NH2+]CC1CC1 ZINC001700273896 1176827757 /nfs/dbraw/zinc/82/77/57/1176827757.db2.gz KGKKDHLTSHSUOF-HIFRSBDPSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)[NH2+][C@@H](C)[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001700400361 1176907028 /nfs/dbraw/zinc/90/70/28/1176907028.db2.gz LXILDPMHDONHPW-NWDGAFQWSA-N 2 0 255.406 1.362 10 0 CDAERP CC(C)[NH2+][C@H](C)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001700405873 1176909303 /nfs/dbraw/zinc/90/93/03/1176909303.db2.gz UEHAZVGNUAMXFY-OLZOCXBDSA-N 2 0 267.417 1.506 10 0 CDAERP CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001700630972 1177044876 /nfs/dbraw/zinc/04/48/76/1177044876.db2.gz JTWLRAGBWCEYIC-BPLDGKMQSA-N 2 0 279.428 1.223 10 0 CDAERP CC(C)OCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001700755723 1177115545 /nfs/dbraw/zinc/11/55/45/1177115545.db2.gz RSURFNARMZQGAH-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@@H]1CC[C@H](C[NH2+]C/C=C\Cl)C1 ZINC001700914497 1177194194 /nfs/dbraw/zinc/19/41/94/1177194194.db2.gz YWHDNTYYPULVHQ-VTUYONSCSA-N 2 0 299.846 1.709 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001712947688 1178259332 /nfs/dbraw/zinc/25/93/32/1178259332.db2.gz IJPNPQAJXHOKFN-BFHYXJOUSA-N 2 0 287.423 1.513 10 0 CDAERP CC(C)OCC[NH2+]C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001713239110 1178448048 /nfs/dbraw/zinc/44/80/48/1178448048.db2.gz PQTMDRVCFLAODM-OAHLLOKOSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001713239237 1178448629 /nfs/dbraw/zinc/44/86/29/1178448629.db2.gz UKEYUCNVBAPGEK-JYJNAYRXSA-N 2 0 295.471 1.955 10 0 CDAERP CCCC[NH2+][C@@H]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001713382787 1178529406 /nfs/dbraw/zinc/52/94/06/1178529406.db2.gz UGVMOQHTMBZZFG-CABCVRRESA-N 2 0 281.444 1.899 10 0 CDAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CC[NH2+]CCCF ZINC001713666265 1178703035 /nfs/dbraw/zinc/70/30/35/1178703035.db2.gz LCJJKWKBYBDCBT-STQMWFEESA-N 2 0 273.396 1.267 10 0 CDAERP COCCC[NH+]1CC(CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001713917857 1178842415 /nfs/dbraw/zinc/84/24/15/1178842415.db2.gz RMEUIDZXJKCYHE-UHFFFAOYSA-N 2 0 299.459 1.049 10 0 CDAERP CC(C)=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC[NH+](C)C ZINC001713941359 1178869065 /nfs/dbraw/zinc/86/90/65/1178869065.db2.gz XBLFWCILWDPFIQ-HOTGVXAUSA-N 2 0 293.455 1.970 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@@H](N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001714004637 1178922566 /nfs/dbraw/zinc/92/25/66/1178922566.db2.gz VHLDUHRLGDUFFZ-OAHLLOKOSA-N 2 0 293.455 1.970 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001714004267 1178923718 /nfs/dbraw/zinc/92/37/18/1178923718.db2.gz HWNSMDSNFIAPHW-GASCZTMLSA-N 2 0 279.428 1.675 10 0 CDAERP CCCC[NH2+][C@@H](CC)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001714074695 1178961458 /nfs/dbraw/zinc/96/14/58/1178961458.db2.gz SCKYOTZXOQGEMF-GJZGRUSLSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CC1CC(C)C1 ZINC001714097433 1178970732 /nfs/dbraw/zinc/97/07/32/1178970732.db2.gz HMRILJKNTHEBPK-RUXDESIVSA-N 2 0 269.433 1.469 10 0 CDAERP CCCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001714123121 1178982856 /nfs/dbraw/zinc/98/28/56/1178982856.db2.gz URPUSSLHUYQHJE-OLZOCXBDSA-N 2 0 255.406 1.223 10 0 CDAERP COCC[NH2+][C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001714332155 1179087336 /nfs/dbraw/zinc/08/73/36/1179087336.db2.gz ZHHXDKKWFWVHST-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]C/C=C/Cl)C2)CC[N@@H+]1C ZINC001714347184 1179099806 /nfs/dbraw/zinc/09/98/06/1179099806.db2.gz UPUQYQUBIJOWJY-NESIFWDISA-N 2 0 299.846 1.517 10 0 CDAERP CC[N@H+](C)CCC(=O)NCCC[C@@H]1CCC[NH+]1CC ZINC001714543490 1179197696 /nfs/dbraw/zinc/19/76/96/1179197696.db2.gz WGKFGWYCJXHWRP-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP CCOCC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001714608800 1179262215 /nfs/dbraw/zinc/26/22/15/1179262215.db2.gz DTGFAMAZPXZRTH-HNNXBMFYSA-N 2 0 297.443 1.088 10 0 CDAERP CCCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001714624311 1179274672 /nfs/dbraw/zinc/27/46/72/1179274672.db2.gz MZPWEGYPOFTNHD-SOUVJXGZSA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@H](C)C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001714705883 1179348816 /nfs/dbraw/zinc/34/88/16/1179348816.db2.gz IFBRZQFYIMCAFP-BFHYXJOUSA-N 2 0 269.433 1.421 10 0 CDAERP CN(CC[NH2+]CCCC(C)(C)C)C(=O)C12CC[NH+](CC1)C2 ZINC001714782332 1179395216 /nfs/dbraw/zinc/39/52/16/1179395216.db2.gz AMJFJOIMONNHRV-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP Cc1ccccc1C[NH2+]CCN(C)C(=O)C[NH+]1CCCC1 ZINC001714795415 1179401579 /nfs/dbraw/zinc/40/15/79/1179401579.db2.gz NLJPFVAJVHJNFU-UHFFFAOYSA-N 2 0 289.423 1.639 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001714821239 1179411451 /nfs/dbraw/zinc/41/14/51/1179411451.db2.gz GVAMVTXXJUQNCT-CHWSQXEVSA-N 2 0 285.407 1.267 10 0 CDAERP COCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC[NH+](C)C ZINC001714996295 1179498247 /nfs/dbraw/zinc/49/82/47/1179498247.db2.gz ZPHKIMJMTHOEDC-GJZGRUSLSA-N 2 0 297.443 1.040 10 0 CDAERP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001715027228 1179516456 /nfs/dbraw/zinc/51/64/56/1179516456.db2.gz WCHZBMUVHSZORK-CQSZACIVSA-N 2 0 267.417 1.271 10 0 CDAERP C[C@H](CC[NH2+]CCC1CC1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001715683279 1179763711 /nfs/dbraw/zinc/76/37/11/1179763711.db2.gz NQISHBYRKGRMBG-ZIAGYGMSSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)=CC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001715906549 1179907106 /nfs/dbraw/zinc/90/71/06/1179907106.db2.gz FXGXWMREQJXHCF-ZRUQZJFASA-N 2 0 265.401 1.166 10 0 CDAERP CCOCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001716041243 1180015223 /nfs/dbraw/zinc/01/52/23/1180015223.db2.gz YEQDMEBNECTOTR-KKUMJFAQSA-N 2 0 299.459 1.190 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CCCF)CC1 ZINC001716068454 1180029802 /nfs/dbraw/zinc/02/98/02/1180029802.db2.gz ZYXWOLVAMIPLGU-UONOGXRCSA-N 2 0 299.434 1.562 10 0 CDAERP CCN(CC[NH2+]CC1CC1)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001716255824 1180121206 /nfs/dbraw/zinc/12/12/06/1180121206.db2.gz FIOZOBDRIAEXHF-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP O=C(NC/C=C/C[NH2+]CC1CCC1)[C@H]1C[NH+]2CCC1CC2 ZINC001716294967 1180146002 /nfs/dbraw/zinc/14/60/02/1180146002.db2.gz GCDGDJVOBDZFMC-PYKQWIPUSA-N 2 0 291.439 1.390 10 0 CDAERP CCCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001716479957 1180242672 /nfs/dbraw/zinc/24/26/72/1180242672.db2.gz KDIOVERMXMTINK-GDBMZVCRSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](C)C[NH2+]CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001716585279 1180294924 /nfs/dbraw/zinc/29/49/24/1180294924.db2.gz IIIQEKNDIBEJOC-CQSZACIVSA-N 2 0 269.433 1.566 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH2+]C[C@H]1CC[C@H](C)O1 ZINC001716587302 1180295953 /nfs/dbraw/zinc/29/59/53/1180295953.db2.gz XLKAGAKFDNXBDI-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+]2CCCCCF)C1 ZINC001716670578 1180355041 /nfs/dbraw/zinc/35/50/41/1180355041.db2.gz FJCXZXSGYAJRGS-ZIAGYGMSSA-N 2 0 285.407 1.268 10 0 CDAERP C[N@H+](CC(=O)N1CCC[C@H]1C[NH2+]CCCF)C1CCC1 ZINC001716778941 1180411059 /nfs/dbraw/zinc/41/10/59/1180411059.db2.gz KBZMXIZFWCJKJV-AWEZNQCLSA-N 2 0 285.407 1.411 10 0 CDAERP C[C@H](F)CC[NH2+]CC[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001717096026 1180530753 /nfs/dbraw/zinc/53/07/53/1180530753.db2.gz BOGFHWKCPFNTFV-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP CC/C=C\CC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001717178834 1180561900 /nfs/dbraw/zinc/56/19/00/1180561900.db2.gz IJCWNDYRMNLZRX-YVACAVLKSA-N 2 0 297.443 1.111 10 0 CDAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]CCCCCF ZINC001717285304 1180604267 /nfs/dbraw/zinc/60/42/67/1180604267.db2.gz AEQKQRJQLWHWQD-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP CCCC[NH2+][C@H](C)CN(C)C(=O)CCc1cncn1C ZINC001717752055 1180830003 /nfs/dbraw/zinc/83/00/03/1180830003.db2.gz GGVRVZDJRWKTMO-CYBMUJFWSA-N 2 0 280.416 1.589 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCCF)[C@@H]1C ZINC001717805867 1180865032 /nfs/dbraw/zinc/86/50/32/1180865032.db2.gz PWYHERQXSAXQFK-QWHCGFSZSA-N 2 0 273.396 1.265 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001723448351 1181564472 /nfs/dbraw/zinc/56/44/72/1181564472.db2.gz ZQMAHYXLZGJHSD-SSBHQGKESA-N 2 0 279.428 1.627 10 0 CDAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]CC1CCC1 ZINC001724943030 1181803100 /nfs/dbraw/zinc/80/31/00/1181803100.db2.gz KAYVKWXJUDKVDW-OCCSQVGLSA-N 2 0 267.417 1.175 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CC1CC1 ZINC001724994909 1181818005 /nfs/dbraw/zinc/81/80/05/1181818005.db2.gz IOCFSJGVIWHKSV-OCCSQVGLSA-N 2 0 267.417 1.317 10 0 CDAERP CC/C=C\CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001725355928 1181970635 /nfs/dbraw/zinc/97/06/35/1181970635.db2.gz JKIMTWWLRWAQTL-PVPAMPSESA-N 2 0 293.455 1.921 10 0 CDAERP CCC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001725420602 1181994031 /nfs/dbraw/zinc/99/40/31/1181994031.db2.gz XGSCHLHBQQIDQS-STQMWFEESA-N 2 0 255.406 1.223 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001725651723 1182087574 /nfs/dbraw/zinc/08/75/74/1182087574.db2.gz GJEOVAPAORZKAC-KBPBESRZSA-N 2 0 269.433 1.611 10 0 CDAERP CN(CC[NH2+]Cc1ccns1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001731975585 1182710203 /nfs/dbraw/zinc/71/02/03/1182710203.db2.gz YDVLFQZOXIVDBC-LBPRGKRZSA-N 2 0 296.440 1.033 10 0 CDAERP C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C[NH2+]CCF ZINC001732349339 1182921369 /nfs/dbraw/zinc/92/13/69/1182921369.db2.gz RPUVXMVMHWWIPP-CHWSQXEVSA-N 2 0 273.396 1.172 10 0 CDAERP CCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001732357159 1182925179 /nfs/dbraw/zinc/92/51/79/1182925179.db2.gz QWPKMFFXTJZPDW-HUUCEWRRSA-N 2 0 283.460 1.860 10 0 CDAERP CCCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001732412892 1182951019 /nfs/dbraw/zinc/95/10/19/1182951019.db2.gz USXMVRHLJBHVHH-STQMWFEESA-N 2 0 255.406 1.317 10 0 CDAERP O=C(CC[NH+]1CCCCC1)N[C@@H]1CCC[C@H]1C[NH2+]CCF ZINC001732624824 1183052950 /nfs/dbraw/zinc/05/29/50/1183052950.db2.gz GMXCFVFVVYFQHG-LSDHHAIUSA-N 2 0 299.434 1.706 10 0 CDAERP CCN(CC[NH2+]CCCF)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001732800719 1183130696 /nfs/dbraw/zinc/13/06/96/1183130696.db2.gz BRDISRPTBZUMHE-CABCVRRESA-N 2 0 299.434 1.801 10 0 CDAERP C[NH+](C)CCC(=O)NC/C=C\C[NH2+]Cc1ccccc1 ZINC001732896005 1183175244 /nfs/dbraw/zinc/17/52/44/1183175244.db2.gz XPDBRXUSBXWGDZ-SREVYHEPSA-N 2 0 275.396 1.400 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]C/C=C\Cl ZINC001733027599 1183245830 /nfs/dbraw/zinc/24/58/30/1183245830.db2.gz OJXCCGANKBZRQR-GZTOBOFZSA-N 2 0 261.797 1.173 10 0 CDAERP COCC[NH2+]CCCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001733142947 1183305781 /nfs/dbraw/zinc/30/57/81/1183305781.db2.gz LOCWVBSRVXWGQB-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]CCC(C)(C)C)C2CC2)C1 ZINC001733190911 1183325034 /nfs/dbraw/zinc/32/50/34/1183325034.db2.gz QZKTVZXNJPWLHY-CABCVRRESA-N 2 0 295.471 1.859 10 0 CDAERP CC/C=C\CC[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001733346631 1183404822 /nfs/dbraw/zinc/40/48/22/1183404822.db2.gz BHVQRAXOIOEAAN-YVACAVLKSA-N 2 0 281.444 1.875 10 0 CDAERP CC(C)=CC[NH2+]CC1CC(NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001733948292 1183580236 /nfs/dbraw/zinc/58/02/36/1183580236.db2.gz LSNWCWBVTSNHHT-UHFFFAOYSA-N 2 0 293.455 1.921 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NC2CC(C[NH2+]C/C=C\Cl)C2)C1 ZINC001733958095 1183584580 /nfs/dbraw/zinc/58/45/80/1183584580.db2.gz PQGXQCINPDZAFF-GMXZOCNCSA-N 2 0 285.819 1.175 10 0 CDAERP CC(C)[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H]1C ZINC001734410338 1183768063 /nfs/dbraw/zinc/76/80/63/1183768063.db2.gz UQJFFGJPVVXVGQ-QWHCGFSZSA-N 2 0 255.406 1.314 10 0 CDAERP C[NH+](C)CCCNC(=O)[C@@H]1[NH2+]CC[C@H]2CCCC[C@@H]21 ZINC000312074978 1186695393 /nfs/dbraw/zinc/69/53/93/1186695393.db2.gz PQENCAGIKFFEGQ-HZSPNIEDSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@@H]([NH2+][C@H]1CC[C@@H](C)C[C@@H]1n1cncn1)[C@H](C)[NH3+] ZINC000423463165 1186727404 /nfs/dbraw/zinc/72/74/04/1186727404.db2.gz LFCSBRFKJWDJBB-FHUSYTEZSA-N 2 0 251.378 1.333 10 0 CDAERP CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2CC[NH3+])C1 ZINC001771764760 1186865298 /nfs/dbraw/zinc/86/52/98/1186865298.db2.gz SBTWNCRZDFZTKT-AWEZNQCLSA-N 2 0 289.423 1.650 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1[NH2+]CC[C@@H]2CCCC[C@H]12)[NH+](C)C ZINC000388516141 1187272669 /nfs/dbraw/zinc/27/26/69/1187272669.db2.gz QJNMBGFVDRASJK-ZOBORPQBSA-N 2 0 267.417 1.221 10 0 CDAERP C[NH+](C)C[C@@H]1CN(C(=O)CC(C)(F)F)C[C@H]1C[NH+](C)C ZINC000870019655 1165133608 /nfs/dbraw/zinc/13/36/08/1165133608.db2.gz LQBAZYZBCQPSSY-VXGBXAGGSA-N 2 0 291.386 1.230 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc2c(c1)OCO2 ZINC000925790031 837489395 /nfs/dbraw/zinc/48/93/95/837489395.db2.gz FFJLKIIJHMUXQS-MDZLAQPJSA-N 2 0 262.353 1.921 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=S)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000848648166 837534407 /nfs/dbraw/zinc/53/44/07/837534407.db2.gz TWXOYUCQMJIHPO-MCIONIFRSA-N 2 0 298.500 1.275 10 0 CDAERP CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)CC)[C@H]1CCCOC1 ZINC000724004353 837543149 /nfs/dbraw/zinc/54/31/49/837543149.db2.gz RAZLEEYLZNYBIL-MJBXVCDLSA-N 2 0 258.406 1.094 10 0 CDAERP [NH3+]CCCCCCN1Cc2ccccc2NC(=O)C1 ZINC000848600974 837668299 /nfs/dbraw/zinc/66/82/99/837668299.db2.gz PBBLLLUCASTEGW-UHFFFAOYSA-N 2 0 261.369 1.960 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccncc1 ZINC000925849617 837809446 /nfs/dbraw/zinc/80/94/46/837809446.db2.gz DMMIUCUBZYUFRP-JSGCOSHPSA-N 2 0 289.379 1.418 10 0 CDAERP Cc1cccc(CNC(=O)C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923496143 837826629 /nfs/dbraw/zinc/82/66/29/837826629.db2.gz HDGAJFVHCGUWMC-HOCLYGCPSA-N 2 0 289.423 1.528 10 0 CDAERP CC(C)[C@@H]1COCC[C@@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000924662432 837822126 /nfs/dbraw/zinc/82/21/26/837822126.db2.gz RACRVGLUBNNNQZ-IRXDYDNUSA-N 2 0 297.487 1.665 10 0 CDAERP COC(=O)[C@@H]1C[N@H+](CCCCCCC[NH3+])C[C@@H](C)O1 ZINC000863550510 835770406 /nfs/dbraw/zinc/77/04/06/835770406.db2.gz CKLMCHFSXPKJHP-OLZOCXBDSA-N 2 0 272.389 1.158 10 0 CDAERP OC[C@H](Cc1ccccc1)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000925642670 835808996 /nfs/dbraw/zinc/80/89/96/835808996.db2.gz ALVOUCXNVRATEL-JKSUJKDBSA-N 2 0 274.408 1.854 10 0 CDAERP COC[C@@H](C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)C(C)C ZINC000721917478 835862435 /nfs/dbraw/zinc/86/24/35/835862435.db2.gz IKIKJDYRKOZTJH-KFWWJZLASA-N 2 0 254.418 1.836 10 0 CDAERP CC1(O)CCC([NH2+][C@@H]2CCN3CCCC[C@@H]23)CC1 ZINC000702996276 835866861 /nfs/dbraw/zinc/86/68/61/835866861.db2.gz UFMBZFBTZWPLGM-FUUBYGMNSA-N 2 0 252.402 1.896 10 0 CDAERP CCCCCC[N@H+](C)CC(=O)N1CCN(CCO)C[C@H]1C ZINC000837187573 835884788 /nfs/dbraw/zinc/88/47/88/835884788.db2.gz FORKARQOSRNROG-OAHLLOKOSA-N 2 0 299.459 1.024 10 0 CDAERP CSCC[C@H]([NH3+])C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712624446 835895745 /nfs/dbraw/zinc/89/57/45/835895745.db2.gz CXNFQKKWCRBTHZ-NSHDSACASA-N 2 0 273.446 1.010 10 0 CDAERP C[N@@H+](Cc1ccc(Cl)nc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000852745295 835960099 /nfs/dbraw/zinc/96/00/99/835960099.db2.gz QOHSOFMHUQEKCP-GFCCVEGCSA-N 2 0 281.787 1.688 10 0 CDAERP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCOC23CCOCC3)C1 ZINC000924755984 836001627 /nfs/dbraw/zinc/00/16/27/836001627.db2.gz XXHMYTWFZOBYLV-LSDHHAIUSA-N 2 0 282.428 1.646 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C2CCC([NH3+])CC2)C1 ZINC000715537029 836090902 /nfs/dbraw/zinc/09/09/02/836090902.db2.gz HKPDJMFAZRXKDC-HOAMVYINSA-N 2 0 267.417 1.493 10 0 CDAERP C[C@H](Cn1cccn1)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925582461 836100276 /nfs/dbraw/zinc/10/02/76/836100276.db2.gz FLNONUXYHVUGIV-JHJVBQTASA-N 2 0 250.390 1.767 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC1CCCCC1 ZINC000052046945 836167764 /nfs/dbraw/zinc/16/77/64/836167764.db2.gz DZAYGGXQBOTNOC-CYBMUJFWSA-N 2 0 252.406 1.917 10 0 CDAERP C[NH+](C)C1(C)CCC([NH2+]C[C@@H](O)CC(C)(C)O)CC1 ZINC000872228880 836205952 /nfs/dbraw/zinc/20/59/52/836205952.db2.gz MKULTLDNGQZQSF-OWYJLGKBSA-N 2 0 272.433 1.361 10 0 CDAERP C[NH+](C)C[C@](C)(O)C[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000721572978 836282949 /nfs/dbraw/zinc/28/29/49/836282949.db2.gz VJTJTBYAGCCMPB-VNHYZAJKSA-N 2 0 272.433 1.482 10 0 CDAERP CN1CCC[C@H]1C[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000858307241 836298077 /nfs/dbraw/zinc/29/80/77/836298077.db2.gz DXHJUDKAUQEFFO-OUAUKWLOSA-N 2 0 266.307 1.780 10 0 CDAERP C[NH+](C)CCCOC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000803859697 836414223 /nfs/dbraw/zinc/41/42/23/836414223.db2.gz ULFGSBAQKCTFTG-ZDUSSCGKSA-N 2 0 256.390 1.746 10 0 CDAERP C[C@@H](c1ccccc1Cl)N1CC[NH2+]CC[NH2+]CC1 ZINC000923460126 836447668 /nfs/dbraw/zinc/44/76/68/836447668.db2.gz AACWVABDDKBERS-LBPRGKRZSA-N 2 0 267.804 1.896 10 0 CDAERP Cc1nccnc1[C@H](C)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925842614 836500809 /nfs/dbraw/zinc/50/08/09/836500809.db2.gz AJRZTOPSFLMNCV-AWEZNQCLSA-N 2 0 291.443 1.511 10 0 CDAERP CC1(C)C[C@@H]([NH2+]CCC(=O)N2CCCCC2)C[C@@H]([NH3+])C1 ZINC000925479166 836570799 /nfs/dbraw/zinc/57/07/99/836570799.db2.gz XWUOJEUSTBSPPE-KGLIPLIRSA-N 2 0 281.444 1.885 10 0 CDAERP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCOC1CCOCC1 ZINC000925877632 836641074 /nfs/dbraw/zinc/64/10/74/836641074.db2.gz KRMJMDALJFUZTR-TZMCWYRMSA-N 2 0 256.390 1.160 10 0 CDAERP Cc1ncccc1CN1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720856438 836819011 /nfs/dbraw/zinc/81/90/11/836819011.db2.gz KWQGWJKUJJEENG-NEPJUHHUSA-N 2 0 273.302 1.959 10 0 CDAERP CC[C@@H](C)[C@@H]([NH3+])C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000063124080 836876543 /nfs/dbraw/zinc/87/65/43/836876543.db2.gz YVVGRMBZTMGAQD-DGCLKSJQSA-N 2 0 255.406 1.160 10 0 CDAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@@H]3C[C@@H]4CCC[C@@H]4O3)C[C@@H]12 ZINC000720883376 836899408 /nfs/dbraw/zinc/89/94/08/836899408.db2.gz WQBPOXZLNOCPNW-QAIIKZMUSA-N 2 0 250.386 1.613 10 0 CDAERP C[C@H](CNC(=[NH2+])NCCc1cccs1)[N@H+](C)C1CC1 ZINC000849001673 836914080 /nfs/dbraw/zinc/91/40/80/836914080.db2.gz OOQJHHLYRABWHX-LLVKDONJSA-N 2 0 280.441 1.887 10 0 CDAERP Cc1ccc(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)nc1 ZINC000923453537 836921056 /nfs/dbraw/zinc/92/10/56/836921056.db2.gz XVLVPCTXSSMRFJ-OAHLLOKOSA-N 2 0 275.396 1.720 10 0 CDAERP CCOC(=O)CC(C)(C)C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000838962819 836922726 /nfs/dbraw/zinc/92/27/26/836922726.db2.gz PRQMDOHUKYYKDP-UHFFFAOYSA-N 2 0 286.416 1.012 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+]C[C@@]1(C(F)(F)F)CCCN1 ZINC000925852218 836924712 /nfs/dbraw/zinc/92/47/12/836924712.db2.gz FBTUCWNFNFOXFR-GHMZBOCLSA-N 2 0 267.339 1.778 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)NCc2cccs2)CC[C@H]1C[NH3+] ZINC000923503917 836932774 /nfs/dbraw/zinc/93/27/74/836932774.db2.gz MLLWEVWIWDZACI-NEPJUHHUSA-N 2 0 281.425 1.281 10 0 CDAERP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CC[NH2+]CC1CC1 ZINC000717181260 837038178 /nfs/dbraw/zinc/03/81/78/837038178.db2.gz IVIFVWQBMPBHIL-ZFWWWQNUSA-N 2 0 279.428 1.461 10 0 CDAERP CCOC(=O)c1ncc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)s1 ZINC000923487960 837056395 /nfs/dbraw/zinc/05/63/95/837056395.db2.gz CEWJQOMOPURLRM-MNOVXSKESA-N 2 0 297.424 1.737 10 0 CDAERP CC(C)C[C@H]([NH2+]C[C@H]1CCC=CO1)C(=O)NCC[NH+](C)C ZINC000775046329 837136124 /nfs/dbraw/zinc/13/61/24/837136124.db2.gz GQYRHOFVLVPUGE-CABCVRRESA-N 2 0 297.443 1.361 10 0 CDAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000925327675 837274450 /nfs/dbraw/zinc/27/44/50/837274450.db2.gz QSPHHGZPORENKR-HZSPNIEDSA-N 2 0 282.432 1.062 10 0 CDAERP C[C@H]1C[N@H+](CC(=O)Nc2ccc(Cl)nc2)CC[C@@H]1C[NH3+] ZINC000923494217 837284614 /nfs/dbraw/zinc/28/46/14/837284614.db2.gz LDVLFFSXOQTFAV-WDEREUQCSA-N 2 0 296.802 1.590 10 0 CDAERP OCC1(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC2(CCC2)C1 ZINC000925653840 837296798 /nfs/dbraw/zinc/29/67/98/837296798.db2.gz OSRYZVQSXSDRBT-XPABHHOTSA-N 2 0 276.424 1.515 10 0 CDAERP COC[C@@H](CC(C)C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925811039 837301478 /nfs/dbraw/zinc/30/14/78/837301478.db2.gz QHQHFSMNPUAFPE-CQSZACIVSA-N 2 0 257.422 1.060 10 0 CDAERP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000713007861 837330923 /nfs/dbraw/zinc/33/09/23/837330923.db2.gz IBYLZLRYAISVIY-CQSZACIVSA-N 2 0 283.460 1.987 10 0 CDAERP C[C@@H]1C[C@H](C)N(C(=O)C=C2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000852893951 837887813 /nfs/dbraw/zinc/88/78/13/837887813.db2.gz RBIVQICVYQRHFA-MBNYWOFBSA-N 2 0 265.401 1.128 10 0 CDAERP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857853952 837960000 /nfs/dbraw/zinc/96/00/00/837960000.db2.gz WIOPDKYYEVLOMP-GXTWGEPZSA-N 2 0 277.416 1.013 10 0 CDAERP C[N@H+](C[C@@H]1C[C@@H]2COC[C@@H]2O1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000930459093 837983385 /nfs/dbraw/zinc/98/33/85/837983385.db2.gz DIAAFWFLNNYBSU-KJWHSHRWSA-N 2 0 280.412 1.347 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872288015 837984039 /nfs/dbraw/zinc/98/40/39/837984039.db2.gz RVKCIWXEKDWDHQ-FVCCEPFGSA-N 2 0 253.390 1.008 10 0 CDAERP C[NH+](C)CCC[C@@H]1CN(CCC[NH2+]C2CC2)CCO1 ZINC000923397319 838048015 /nfs/dbraw/zinc/04/80/15/838048015.db2.gz LNPHOSRZTCLCGE-OAHLLOKOSA-N 2 0 269.433 1.171 10 0 CDAERP CC1(C2CC2)CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000810064661 838133511 /nfs/dbraw/zinc/13/35/11/838133511.db2.gz PEKQYOFZHRUAKE-HNNXBMFYSA-N 2 0 266.429 1.955 10 0 CDAERP CCOCCC[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720826704 838207745 /nfs/dbraw/zinc/20/77/45/838207745.db2.gz GQERZXFWWPBWQS-VHSXEESVSA-N 2 0 254.296 1.482 10 0 CDAERP C[C@@H]1C[C@H](C)[N@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)C[C@@H]1C[NH3+] ZINC000724588875 838223211 /nfs/dbraw/zinc/22/32/11/838223211.db2.gz DIFMSGXNNRWDSH-BYGOPZEFSA-N 2 0 268.401 1.096 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000851678366 838715447 /nfs/dbraw/zinc/71/54/47/838715447.db2.gz WQNOYWMBXPVTPP-HIFRSBDPSA-N 2 0 282.432 1.145 10 0 CDAERP C([C@@H]1C[C@H]2COC[C@@H]2O1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000929689655 838758297 /nfs/dbraw/zinc/75/82/97/838758297.db2.gz ZXHIUXSJBQKFSA-QAETUUGQSA-N 2 0 294.439 1.741 10 0 CDAERP Cc1cccnc1NC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000866665425 838761920 /nfs/dbraw/zinc/76/19/20/838761920.db2.gz WLQQZSYYOXEGAG-ZDUSSCGKSA-N 2 0 276.384 1.389 10 0 CDAERP COCCN1CCC([NH2+][C@@H](C)C(C)(C)CO)CC1 ZINC000924789937 838801352 /nfs/dbraw/zinc/80/13/52/838801352.db2.gz ZVVJGJZTHIQZHP-LBPRGKRZSA-N 2 0 258.406 1.094 10 0 CDAERP CC[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC(=O)N(C)C ZINC000923303897 838825704 /nfs/dbraw/zinc/82/57/04/838825704.db2.gz LMBJTSRYXPMHJQ-AGUYFDCRSA-N 2 0 267.417 1.317 10 0 CDAERP O=C(CCC12CC(C1)C[NH2+]2)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000870919833 838858640 /nfs/dbraw/zinc/85/86/40/838858640.db2.gz JGOIWWOIWWUVOZ-FUJMWEONSA-N 2 0 277.412 1.119 10 0 CDAERP C[NH+](C)C1(C)CC[NH+](C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC000709790821 838862850 /nfs/dbraw/zinc/86/28/50/838862850.db2.gz QNHPQWFJANOCBN-ZIAGYGMSSA-N 2 0 254.418 1.954 10 0 CDAERP Cc1ncsc1CC[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723894854 838863179 /nfs/dbraw/zinc/86/31/79/838863179.db2.gz POENIGTVYFNDAT-ZYHUDNBSSA-N 2 0 253.415 1.911 10 0 CDAERP CC(C)O[C@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCOC1 ZINC000722358090 838870152 /nfs/dbraw/zinc/87/01/52/838870152.db2.gz YXTOZEGAGRYGJK-UYTSQGDYSA-N 2 0 282.428 1.785 10 0 CDAERP CCC[NH+]1CCC([NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)CC1 ZINC000724653048 838870186 /nfs/dbraw/zinc/87/01/86/838870186.db2.gz MTRBNMCXHLRYLK-YUELXQCFSA-N 2 0 268.401 1.254 10 0 CDAERP C[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccncc1 ZINC000925849619 838891437 /nfs/dbraw/zinc/89/14/37/838891437.db2.gz DMMIUCUBZYUFRP-OCCSQVGLSA-N 2 0 289.379 1.418 10 0 CDAERP C1C[C@H]2CC(c3noc([C@@H]4CCC[NH2+]C4)n3)C[C@@H]1[NH2+]2 ZINC000871791396 838944387 /nfs/dbraw/zinc/94/43/87/838944387.db2.gz BSLBFKYWUASPCS-WAAKLRNESA-N 2 0 262.357 1.535 10 0 CDAERP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C=C1CC[NH2+]CC1 ZINC000852883630 839032452 /nfs/dbraw/zinc/03/24/52/839032452.db2.gz LZMUVZJTZLMSKF-CYBMUJFWSA-N 2 0 279.428 1.485 10 0 CDAERP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000236967937 839060291 /nfs/dbraw/zinc/06/02/91/839060291.db2.gz HZAHKERRMUIAHN-ZIAGYGMSSA-N 2 0 271.449 1.985 10 0 CDAERP C[C@@H](C(=O)NC1CC1)[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923503590 839095689 /nfs/dbraw/zinc/09/56/89/839095689.db2.gz MYKYMDGAVPXMRI-UONOGXRCSA-N 2 0 293.455 1.755 10 0 CDAERP COC(=O)c1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cs1 ZINC000923492571 839146716 /nfs/dbraw/zinc/14/67/16/839146716.db2.gz XICNYMUGQMEUEW-PWSUYJOCSA-N 2 0 282.409 1.951 10 0 CDAERP Cn1cc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c(Cl)n1 ZINC000856785653 839153882 /nfs/dbraw/zinc/15/38/82/839153882.db2.gz RHNITRXHQXYBOD-UHFFFAOYSA-N 2 0 299.850 1.189 10 0 CDAERP C[C@H](CNC(=O)[C@H]1C[NH2+]CC1(C)C)C[NH+]1CCCC1 ZINC000711270117 839168112 /nfs/dbraw/zinc/16/81/12/839168112.db2.gz BGOPRYOWUFSSCM-CHWSQXEVSA-N 2 0 267.417 1.080 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]CCCO[C@H]2CCOC2)C12CCC2 ZINC000925553291 839168898 /nfs/dbraw/zinc/16/88/98/839168898.db2.gz QTTBEDJDBCXODD-XQQFMLRXSA-N 2 0 254.374 1.042 10 0 CDAERP CCC[NH+]1CCC([NH2+]CC[C@H]2CC(=O)N(C)C2)CC1 ZINC000723589404 839245963 /nfs/dbraw/zinc/24/59/63/839245963.db2.gz HGEMISNLQRBSOU-ZDUSSCGKSA-N 2 0 267.417 1.319 10 0 CDAERP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1nn(CC)nc1C ZINC000925240017 839271574 /nfs/dbraw/zinc/27/15/74/839271574.db2.gz HLFUIDZWOGQTGQ-OCCSQVGLSA-N 2 0 297.447 1.614 10 0 CDAERP CC[C@H]1CCN(C(=[NH2+])NC[C@H]2CCC[N@@H+]2CCCO)C1 ZINC000864467685 839346272 /nfs/dbraw/zinc/34/62/72/839346272.db2.gz XEMPVFIDDRUMMZ-UONOGXRCSA-N 2 0 282.432 1.089 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+]C1[C@@H](C)COC[C@@H]1C ZINC000926150042 839531497 /nfs/dbraw/zinc/53/14/97/839531497.db2.gz IKGQOIPCTQDHQU-KBPBESRZSA-N 2 0 272.433 1.605 10 0 CDAERP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(C)nn1 ZINC000720588764 839611502 /nfs/dbraw/zinc/61/15/02/839611502.db2.gz YTBRODANYLQOQV-QEJZJMRPSA-N 2 0 260.385 1.653 10 0 CDAERP C([C@H]1CCOC1)[NH+]1CCC([NH2+][C@@H]2CCCSC2)CC1 ZINC000131536761 839792192 /nfs/dbraw/zinc/79/21/92/839792192.db2.gz PKQWIKWGAZODKQ-UKRRQHHQSA-N 2 0 284.469 1.973 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@H](O)c2ccccc2F)C1 ZINC000848675931 839865011 /nfs/dbraw/zinc/86/50/11/839865011.db2.gz FYUJLQLSJOBUBD-ZOWXZIJZSA-N 2 0 266.360 1.789 10 0 CDAERP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CCO[C@@H]3CCOC3)CC2)C1 ZINC000923379447 839895891 /nfs/dbraw/zinc/89/58/91/839895891.db2.gz OYJQEMZCKLKCAA-OAGGEKHMSA-N 2 0 298.427 1.010 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C=C2CC[NH2+]CC2)C1 ZINC000852899359 839947637 /nfs/dbraw/zinc/94/76/37/839947637.db2.gz VYNRBXJMQZFATI-CQSZACIVSA-N 2 0 279.428 1.533 10 0 CDAERP CC1(C)C[C@@H]([NH2+][C@H]2CCCCNC2=O)C[C@@H]([NH3+])C1 ZINC000925537436 840011435 /nfs/dbraw/zinc/01/14/35/840011435.db2.gz XQWKFIVJXCWYMD-WOPDTQHZSA-N 2 0 253.390 1.151 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000862278078 840098366 /nfs/dbraw/zinc/09/83/66/840098366.db2.gz SITDBEMKCYQDMF-NEPJUHHUSA-N 2 0 275.387 1.646 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)CCC23CC(C2)C[NH2+]3)C1 ZINC000870899636 840163162 /nfs/dbraw/zinc/16/31/62/840163162.db2.gz CMLWDTXGSCOWOG-MYMJJRTCSA-N 2 0 279.428 1.508 10 0 CDAERP C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(F)cc2)CC[C@@H]1C[NH3+] ZINC000923490466 840309313 /nfs/dbraw/zinc/30/93/13/840309313.db2.gz CUCPJMPVPMQJMJ-NFAWXSAZSA-N 2 0 296.386 1.482 10 0 CDAERP O=C1C[C@H]([C@H]2CCCC[N@@H+]2CCC[NH2+]C2CC2)CN1 ZINC000923372875 840366496 /nfs/dbraw/zinc/36/64/96/840366496.db2.gz JUOVTJUGPNSNGV-GXTWGEPZSA-N 2 0 265.401 1.119 10 0 CDAERP CCN(C(=O)CCCC[NH+]1CCCC1)[C@H]1CC[N@H+](C)C1 ZINC000855360751 840435992 /nfs/dbraw/zinc/43/59/92/840435992.db2.gz ITTQIKWCTBHEER-HNNXBMFYSA-N 2 0 281.444 1.805 10 0 CDAERP C[NH+](C)CCCC[NH2+][C@@H]1CCOC12CCOCC2 ZINC000924856848 840458854 /nfs/dbraw/zinc/45/88/54/840458854.db2.gz YMXDGIJHTQPSGY-CYBMUJFWSA-N 2 0 256.390 1.256 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@H]2C)C1 ZINC000925324261 840484137 /nfs/dbraw/zinc/48/41/37/840484137.db2.gz BQMDYXYRXMLPDB-MJBXVCDLSA-N 2 0 282.432 1.205 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH+](C)C)C23CCC3)CC[N@@H+]1C ZINC000864069671 840554357 /nfs/dbraw/zinc/55/43/57/840554357.db2.gz GBHVHWPFDQIUDX-XGUBFFRZSA-N 2 0 293.455 1.706 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000813437464 840572905 /nfs/dbraw/zinc/57/29/05/840572905.db2.gz XXTQPROGURIWNL-XJKSGUPXSA-N 2 0 299.434 1.752 10 0 CDAERP COC[C@@H]([NH2+][C@@H]1CNCC2(CCOCC2)C1)C(C)C ZINC000925800088 840817445 /nfs/dbraw/zinc/81/74/45/840817445.db2.gz WMKYTYJQPRZLDO-UONOGXRCSA-N 2 0 270.417 1.406 10 0 CDAERP CN(C)Cc1cnc(CN[C@H](C[NH3+])C(F)(F)F)s1 ZINC000848714032 840842398 /nfs/dbraw/zinc/84/23/98/840842398.db2.gz CWKIMQGHQTUPAB-MRVPVSSYSA-N 2 0 282.335 1.184 10 0 CDAERP CC(=O)N1CC[C@@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925721746 840904150 /nfs/dbraw/zinc/90/41/50/840904150.db2.gz QGHYSVZYRVFSBM-OWCLPIDISA-N 2 0 279.428 1.365 10 0 CDAERP CCO[C@@H](CC[NH+](C)C)C[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000925240321 840917446 /nfs/dbraw/zinc/91/74/46/840917446.db2.gz IOILESLYFWUFTG-CIDNJEQPSA-N 2 0 284.444 1.890 10 0 CDAERP COC[C@H](C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C(C)C ZINC000925873969 840932545 /nfs/dbraw/zinc/93/25/45/840932545.db2.gz OQGGQMKEAMDXDF-GXYBRJDSSA-N 2 0 252.402 1.491 10 0 CDAERP CN(C)[C@H](CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1)C(F)(F)F ZINC000925836759 840954470 /nfs/dbraw/zinc/95/44/70/840954470.db2.gz MJNJAESSJRKFQN-OUAUKWLOSA-N 2 0 267.339 1.729 10 0 CDAERP C[N@@H+]1CC[C@H](N[C@H]2CC[NH+](CC(C)(C)O)C2)[C@H]2CCC[C@H]21 ZINC000866412400 840974107 /nfs/dbraw/zinc/97/41/07/840974107.db2.gz IIDRANDKHQZDEG-XUWVNRHRSA-N 2 0 295.471 1.294 10 0 CDAERP C[C@@H](CNC(=[NH2+])NCCc1cccs1)C[NH+](C)C ZINC000849030804 840994087 /nfs/dbraw/zinc/99/40/87/840994087.db2.gz XTQREXZOIRPRIB-NSHDSACASA-N 2 0 268.430 1.602 10 0 CDAERP Cc1ccc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)c(N(C)C)n1 ZINC000930503447 841051707 /nfs/dbraw/zinc/05/17/07/841051707.db2.gz BNVORHRKMHIWFJ-NEPJUHHUSA-N 2 0 291.399 1.670 10 0 CDAERP CC[NH+]1CCC(CCNC(=[NH2+])N2CCO[C@@H](C)C2)CC1 ZINC000849007545 841087109 /nfs/dbraw/zinc/08/71/09/841087109.db2.gz XPWMSEVMOQKURL-ZDUSSCGKSA-N 2 0 282.432 1.353 10 0 CDAERP [NH3+]CCN(Cc1ccccc1)C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870941509 841102649 /nfs/dbraw/zinc/10/26/49/841102649.db2.gz WMYLNYBZAYZVAI-YCPHGPKFSA-N 2 0 273.380 1.101 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@H]([NH3+])c2ccccc2)CC1 ZINC000036192213 841141939 /nfs/dbraw/zinc/14/19/39/841141939.db2.gz XXBRQZZIBCQVLX-CQSZACIVSA-N 2 0 261.369 1.239 10 0 CDAERP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)C2(O)CCCC2)C1 ZINC000929762313 841188838 /nfs/dbraw/zinc/18/88/38/841188838.db2.gz DUAXGGMYBRIOJT-CVEARBPZSA-N 2 0 296.455 1.316 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1)[C@H]1CC[NH2+]C1 ZINC000722392683 841240928 /nfs/dbraw/zinc/24/09/28/841240928.db2.gz DFLXDXVEPKBHBA-NAKRPEOUSA-N 2 0 266.307 1.684 10 0 CDAERP CC1(C)C[C@@H]([NH2+][C@@H](CO)C2CCOCC2)C[C@@H]([NH3+])C1 ZINC000925657554 841275487 /nfs/dbraw/zinc/27/54/87/841275487.db2.gz UBHFTCKGIVIWSJ-RDBSUJKOSA-N 2 0 270.417 1.270 10 0 CDAERP CCCCNC(=O)[C@@H](C)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923453526 841337359 /nfs/dbraw/zinc/33/73/59/841337359.db2.gz NIGWPALZYMQJSU-KGLIPLIRSA-N 2 0 297.443 1.121 10 0 CDAERP FC(F)c1ccc(CN2CC[NH2+]CC[NH2+]CC2)cc1 ZINC000923462012 841503602 /nfs/dbraw/zinc/50/36/02/841503602.db2.gz ANYRXJBFIRHGFY-UHFFFAOYSA-N 2 0 269.339 1.619 10 0 CDAERP CC[C@H](C)NC(=O)CC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925483383 841562372 /nfs/dbraw/zinc/56/23/72/841562372.db2.gz ZDUGHTQNILPADY-AVGNSLFASA-N 2 0 269.433 1.787 10 0 CDAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872282464 841579070 /nfs/dbraw/zinc/57/90/70/841579070.db2.gz LALIWKNMBPOGFN-ZNMIVQPWSA-N 2 0 297.443 1.121 10 0 CDAERP C[NH+](C)Cc1cccc(C[NH2+]C[C@H](O)CC(C)(C)O)c1 ZINC000872198557 841760476 /nfs/dbraw/zinc/76/04/76/841760476.db2.gz QPVIKSGMVFTGHR-OAHLLOKOSA-N 2 0 280.412 1.360 10 0 CDAERP CC(C)(CC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)S(C)(=O)=O ZINC000925699183 841803470 /nfs/dbraw/zinc/80/34/70/841803470.db2.gz VFDKWKQJJFFUIQ-WDEREUQCSA-N 2 0 274.430 1.059 10 0 CDAERP [NH3+][C@H]1CC[C@H](C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000711027632 841804686 /nfs/dbraw/zinc/80/46/86/841804686.db2.gz RILZOJUKOTYMHX-MGPQQGTHSA-N 2 0 265.401 1.201 10 0 CDAERP C[NH2+]C1CCN(C[C@H](O)COc2ccccc2C)CC1 ZINC000923287151 841813248 /nfs/dbraw/zinc/81/32/48/841813248.db2.gz OTXICVMNYOGKGP-HNNXBMFYSA-N 2 0 278.396 1.419 10 0 CDAERP COC(=O)C1=CC[C@@H]([NH2+][C@H](C)C2CC[NH+](C)CC2)C1 ZINC000858477965 841842237 /nfs/dbraw/zinc/84/22/37/841842237.db2.gz YFBGQNQEZJMZFN-BXUZGUMPSA-N 2 0 266.385 1.568 10 0 CDAERP C[NH2+]C[C@@H]1CCCCN1C[C@H](O)COCC(C)C ZINC000923430082 841930906 /nfs/dbraw/zinc/93/09/06/841930906.db2.gz HTKXUEGYTPDOJI-KBPBESRZSA-N 2 0 258.406 1.094 10 0 CDAERP CCC[NH+]1CCC(C[NH2+]CCS(=O)(=O)CC)CC1 ZINC000818990356 841947989 /nfs/dbraw/zinc/94/79/89/841947989.db2.gz ICNYSISUPNDDOX-UHFFFAOYSA-N 2 0 276.446 1.133 10 0 CDAERP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CCC[NH2+]C3CC3)CC2)C1 ZINC000923378635 842008674 /nfs/dbraw/zinc/00/86/74/842008674.db2.gz KMLWEXOTQITBDM-ZBFHGGJFSA-N 3 0 281.444 1.347 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000924988470 842041274 /nfs/dbraw/zinc/04/12/74/842041274.db2.gz BCJQNDRXAOBXOA-IKGGRYGDSA-N 2 0 294.487 1.229 10 0 CDAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCCCCCCC[NH+](C)C ZINC000841742692 842043934 /nfs/dbraw/zinc/04/39/34/842043934.db2.gz ZZINHBGRCFERPF-GJZGRUSLSA-N 2 0 298.475 1.796 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001569306342 1167556458 /nfs/dbraw/zinc/55/64/58/1167556458.db2.gz MGBZGDCIUGZBLU-KGLIPLIRSA-N 2 0 267.417 1.365 10 0 CDAERP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1 ZINC000925849058 842094788 /nfs/dbraw/zinc/09/47/88/842094788.db2.gz HABMQOKSSCJDJO-MJBXVCDLSA-N 2 0 296.411 1.219 10 0 CDAERP CO[C@@H]1CCC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000718364109 842304274 /nfs/dbraw/zinc/30/42/74/842304274.db2.gz PIYIANRDPHCLFB-SOUVJXGZSA-N 2 0 270.417 1.380 10 0 CDAERP [NH3+]C[C@@H]1Cc2cc(F)ccc2N(CCC[NH2+]C2CC2)C1 ZINC000923433500 842447865 /nfs/dbraw/zinc/44/78/65/842447865.db2.gz ZYMMJNLGUAWYIG-LBPRGKRZSA-N 2 0 277.387 1.905 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](CO)c2ccccc2)C12CCC2 ZINC000925624566 842476943 /nfs/dbraw/zinc/47/69/43/842476943.db2.gz YCELJEDWCPECDO-RRFJBIMHSA-N 2 0 260.381 1.622 10 0 CDAERP O[C@H](C[NH2+]CC[C@H]1CCSC1)C[NH+]1CCCC1 ZINC000704842279 842508172 /nfs/dbraw/zinc/50/81/72/842508172.db2.gz SBYTXHRVHDNIAV-QWHCGFSZSA-N 2 0 258.431 1.176 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCC23CCOCC3)C1 ZINC000848557681 842562301 /nfs/dbraw/zinc/56/23/01/842562301.db2.gz IZGIDKYHMONPOX-HZSPNIEDSA-N 2 0 252.402 1.875 10 0 CDAERP C[C@H](CNC(=[NH2+])NC1CCC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000849048204 842577140 /nfs/dbraw/zinc/57/71/40/842577140.db2.gz GKKLJRJLOCEUCQ-UTUOFQBUSA-N 2 0 268.405 1.151 10 0 CDAERP CC[C@H]1C[C@H](C[N@H+](C)CCN2CC[NH2+]CC2)CCO1 ZINC000843052591 842683132 /nfs/dbraw/zinc/68/31/32/842683132.db2.gz OEKLDSANDXFRNN-CABCVRRESA-N 2 0 269.433 1.029 10 0 CDAERP CC[N@@H+]1CC[C@H](C[NH2+]C2CCC3(CC2)OCCO3)C1 ZINC000037644027 842840799 /nfs/dbraw/zinc/84/07/99/842840799.db2.gz QTZILMFVRDFXNR-CYBMUJFWSA-N 2 0 268.401 1.604 10 0 CDAERP CC(C)OCC[C@@H](O)C[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000923422245 842851855 /nfs/dbraw/zinc/85/18/55/842851855.db2.gz JVIQXUZCIDKGIO-CQSZACIVSA-N 2 0 270.417 1.380 10 0 CDAERP C[NH+](C)C1CCN(CCN[C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925529144 842872252 /nfs/dbraw/zinc/87/22/52/842872252.db2.gz BWWOUMUBQPQPND-INIZCTEOSA-N 2 0 294.487 1.277 10 0 CDAERP COC(=O)N1CCC([C@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925647630 842893008 /nfs/dbraw/zinc/89/30/08/842893008.db2.gz ZIIXUVNJVAZYKC-JSGCOSHPSA-N 2 0 295.427 1.728 10 0 CDAERP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CCO[C@H]3CCOC3)CC2)C1 ZINC000923379448 842903675 /nfs/dbraw/zinc/90/36/75/842903675.db2.gz OYJQEMZCKLKCAA-OWCLPIDISA-N 2 0 298.427 1.010 10 0 CDAERP CN(C[C@H]1CCC[N@@H+]1C)N1CCCCC[C@H]([NH3+])C1 ZINC000868392289 842948450 /nfs/dbraw/zinc/94/84/50/842948450.db2.gz WXDUJRDFHCRJTR-UONOGXRCSA-N 2 0 254.422 1.131 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000779519401 842966441 /nfs/dbraw/zinc/96/64/41/842966441.db2.gz CUADHCSGPSRJQR-OAHLLOKOSA-N 2 0 292.427 1.610 10 0 CDAERP CC(C)C[N@H+](C)CCCN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925705263 842972570 /nfs/dbraw/zinc/97/25/70/842972570.db2.gz AREABFYKZUEBBF-UONOGXRCSA-N 2 0 253.434 1.824 10 0 CDAERP CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001272281695 912628250 /nfs/dbraw/zinc/62/82/50/912628250.db2.gz UHVXUWXLCXDHMG-HUUCEWRRSA-N 2 0 293.455 1.899 10 0 CDAERP C[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@](C)(C(F)F)O1 ZINC000698812076 912892617 /nfs/dbraw/zinc/89/26/17/912892617.db2.gz KLMGWJYKBYOXHV-HNCHTBHHSA-N 2 0 262.344 1.858 10 0 CDAERP CCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001266308395 894321399 /nfs/dbraw/zinc/32/13/99/894321399.db2.gz VLYJJEAATRLAEJ-UONOGXRCSA-N 2 0 267.417 1.461 10 0 CDAERP C[C@@H]1CCC[N@H+](C[C@H](O)C(F)(F)F)[C@@H]1CCC[NH3+] ZINC000693438908 896091292 /nfs/dbraw/zinc/09/12/92/896091292.db2.gz DNYSXPMDTWKXDW-MXWKQRLJSA-N 2 0 268.323 1.749 10 0 CDAERP CC[C@@H](C(=O)N(C)CC[NH2+]CC1CCC1)[NH+](C)C ZINC001266836321 896154873 /nfs/dbraw/zinc/15/48/73/896154873.db2.gz NGLWWXVWJSMIPW-ZDUSSCGKSA-N 2 0 255.406 1.175 10 0 CDAERP C[NH+](C)CCC(=O)NCC[N@H+](C)CC1CCC2(CC2)CC1 ZINC001480908264 896486476 /nfs/dbraw/zinc/48/64/76/896486476.db2.gz RWKTYHQYPYNZCS-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CC/C=C/CC[NH2+][C@@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001267152843 896935815 /nfs/dbraw/zinc/93/58/15/896935815.db2.gz VRYMGFGHDIFJHI-RGDDUWESSA-N 2 0 293.455 1.923 10 0 CDAERP C[C@H](CN[C@@H]1C[C@H]([NH3+])C12CCC2)C[NH+]1CCCC1 ZINC000405352030 897598804 /nfs/dbraw/zinc/59/88/04/897598804.db2.gz ORVPLPFPBYUKJZ-HZSPNIEDSA-N 2 0 251.418 1.578 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)CC[NH2+]C[C@H]1CCO[C@H](C)C1 ZINC001267451807 897916446 /nfs/dbraw/zinc/91/64/46/897916446.db2.gz SMCAREACSIDNAN-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP CCO[C@@H]1C[N@H+](Cc2ccc3c[nH]nc3c2)C[C@H]1C[NH3+] ZINC000694001324 897931437 /nfs/dbraw/zinc/93/14/37/897931437.db2.gz SHPSQJOAGBREGY-UKRRQHHQSA-N 2 0 274.368 1.359 10 0 CDAERP CC[C@H](C(=O)NCC1C[NH+](CCC(C)C)C1)[NH+](C)C ZINC001267696320 899307520 /nfs/dbraw/zinc/30/75/20/899307520.db2.gz SCSWRTXNYFIFOS-CQSZACIVSA-N 2 0 269.433 1.421 10 0 CDAERP COCCC[N@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001267709614 899341529 /nfs/dbraw/zinc/34/15/29/899341529.db2.gz YYOBKDKUEWNRCD-OAHLLOKOSA-N 2 0 299.459 1.143 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]CC=C(C)C ZINC001481236457 899543957 /nfs/dbraw/zinc/54/39/57/899543957.db2.gz PTHUFSVQXPMOAQ-OAHLLOKOSA-N 2 0 281.444 1.875 10 0 CDAERP CCCC[NH2+]CCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001481242170 899589204 /nfs/dbraw/zinc/58/92/04/899589204.db2.gz GLELEWDIKKMXOU-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP CC[C@@H](C(=O)N(CC)[C@@H]1CC[N@H+](CCCOC)C1)[NH+](C)C ZINC001267791046 899736762 /nfs/dbraw/zinc/73/67/62/899736762.db2.gz VOLVOKLDQCNJHK-CABCVRRESA-N 2 0 299.459 1.286 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC=C(C)C ZINC001267801207 899764965 /nfs/dbraw/zinc/76/49/65/899764965.db2.gz SAFMNWVZPIZHAS-KBPBESRZSA-N 2 0 267.417 1.531 10 0 CDAERP CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001268284563 901746104 /nfs/dbraw/zinc/74/61/04/901746104.db2.gz CNNJVEAYKLUNKP-KGLIPLIRSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@@H](CC[NH2+]Cc1ccsc1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001268348101 901912652 /nfs/dbraw/zinc/91/26/52/901912652.db2.gz GEBROMGMGZEKAK-JSGCOSHPSA-N 2 0 295.452 1.827 10 0 CDAERP CCN(CC[NH2+]CCCF)C(=O)C12CCC[NH+]1CCC2 ZINC001268461322 902183635 /nfs/dbraw/zinc/18/36/35/902183635.db2.gz PBICFLNJQFNEPU-UHFFFAOYSA-N 2 0 285.407 1.413 10 0 CDAERP CC[C@H](CNC(=O)CCn1ccnc1)[NH2+]CC1CCCC1 ZINC001481837578 902203276 /nfs/dbraw/zinc/20/32/76/902203276.db2.gz NSOQUZKAGPUVNF-OAHLLOKOSA-N 2 0 292.427 1.948 10 0 CDAERP CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CC=C(C)C ZINC001481848512 902207872 /nfs/dbraw/zinc/20/78/72/902207872.db2.gz OUQJPKZMIRQMPO-HNNXBMFYSA-N 2 0 281.444 1.779 10 0 CDAERP O=C(C[NH+]1CCCC1)NC1(C[NH2+]CCCF)CCCC1 ZINC001481913291 902309100 /nfs/dbraw/zinc/30/91/00/902309100.db2.gz XVEOVRMMUAASGO-UHFFFAOYSA-N 2 0 285.407 1.460 10 0 CDAERP CC(C)[C@H](C(=O)NC/C=C/C[NH2+]C/C=C/Cl)[NH+](C)C ZINC001268586928 902689709 /nfs/dbraw/zinc/68/97/09/902689709.db2.gz GOALPPNBCQIWFL-YGIFUYDNSA-N 2 0 287.835 1.587 10 0 CDAERP COCC[NH2+]C[C@H](C)NC(=O)[C@H](c1ccccc1)N(C)C ZINC001268716528 903005475 /nfs/dbraw/zinc/00/54/75/903005475.db2.gz GBRGLCISGSTYTA-ZFWWWQNUSA-N 2 0 293.411 1.030 10 0 CDAERP CCC[N@H+](C)CCC(=O)NCC1C[NH+](CC=C(C)C)C1 ZINC001268901092 903224451 /nfs/dbraw/zinc/22/44/51/903224451.db2.gz YPVOPMVVHFYNCX-UHFFFAOYSA-N 2 0 281.444 1.733 10 0 CDAERP CN(CCC[NH2+]CCCF)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001268916153 903242707 /nfs/dbraw/zinc/24/27/07/903242707.db2.gz ZCMUVOOMSWNQNM-CYBMUJFWSA-N 2 0 273.396 1.126 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001269269140 903632461 /nfs/dbraw/zinc/63/24/61/903632461.db2.gz UEYRHXUJBRKHGK-AWEZNQCLSA-N 2 0 269.433 1.517 10 0 CDAERP CC[C@H](C(=O)NC[C@H](CC)[NH2+]CC(C)C)[NH+](C)C ZINC001269491941 903857638 /nfs/dbraw/zinc/85/76/38/903857638.db2.gz HCCCALYXKOBMSW-QWHCGFSZSA-N 2 0 257.422 1.467 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H](C[NH+](C)C)C2)C1 ZINC001362639763 903918381 /nfs/dbraw/zinc/91/83/81/903918381.db2.gz WCISCTZCBKJATN-HUUCEWRRSA-N 2 0 281.444 1.517 10 0 CDAERP CC(C)=CC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC001482236613 904025590 /nfs/dbraw/zinc/02/55/90/904025590.db2.gz KPENAKFVUFDWGA-HNNXBMFYSA-N 2 0 293.455 1.923 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]CCC1CC1 ZINC001270287450 904506151 /nfs/dbraw/zinc/50/61/51/904506151.db2.gz FGIKUOLPCONICZ-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001270487295 904673501 /nfs/dbraw/zinc/67/35/01/904673501.db2.gz WMLGGGAUCKFPLR-OLZOCXBDSA-N 2 0 255.406 1.223 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)C(C)C ZINC001482370115 905220354 /nfs/dbraw/zinc/22/03/54/905220354.db2.gz RURWJGDNMBPMEJ-KGLIPLIRSA-N 2 0 271.449 1.809 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CC2CC2)C1 ZINC001482663352 908136062 /nfs/dbraw/zinc/13/60/62/908136062.db2.gz PWQDLOKAVKVQMO-HUUCEWRRSA-N 2 0 279.428 1.271 10 0 CDAERP CC[C@H](F)C[NH2+]CC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001482868502 908448483 /nfs/dbraw/zinc/44/84/83/908448483.db2.gz UWDVJOYJCVFKCC-OCCSQVGLSA-N 2 0 287.423 1.561 10 0 CDAERP CCN(CC[NH2+]CC[C@H]1CCCO1)C(=O)C[NH+]1CCCC1 ZINC001482967226 908551146 /nfs/dbraw/zinc/55/11/46/908551146.db2.gz ORPXBMRKDUCTSR-OAHLLOKOSA-N 2 0 297.443 1.089 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC001567953680 1169092198 /nfs/dbraw/zinc/09/21/98/1169092198.db2.gz AKZFOCCFGGKXGG-GFCCVEGCSA-N 2 0 255.406 1.127 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001483385497 911043892 /nfs/dbraw/zinc/04/38/92/911043892.db2.gz XFVQOILWAMZITN-HUUCEWRRSA-N 2 0 281.444 1.731 10 0 CDAERP CC(C)[NH2+]CC[C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001484542177 915872492 /nfs/dbraw/zinc/87/24/92/915872492.db2.gz DEMUTHCZTZBUJD-KBPBESRZSA-N 2 0 292.427 1.825 10 0 CDAERP COCC[NH2+]C1(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CCC1 ZINC001484663037 916010837 /nfs/dbraw/zinc/01/08/37/916010837.db2.gz FGCYDDMUHRBCTJ-OKILXGFUSA-N 2 0 297.443 1.134 10 0 CDAERP C[NH+](C)CCC(=O)N1CCO[C@@H](C[NH2+]CCC(C)(C)C)C1 ZINC001484687945 916042389 /nfs/dbraw/zinc/04/23/89/916042389.db2.gz QHJVCRAERUTSAN-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC(C)([NH2+]CC2CC2)CC1 ZINC001484928252 916271838 /nfs/dbraw/zinc/27/18/38/916271838.db2.gz MBUUOLLTZMVMSA-UHFFFAOYSA-N 2 0 281.444 1.707 10 0 CDAERP CCC[NH2+]C1(C)CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001484920734 916275861 /nfs/dbraw/zinc/27/58/61/916275861.db2.gz HAOFUQSVDHGHGE-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)C[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001485069284 916452042 /nfs/dbraw/zinc/45/20/42/916452042.db2.gz LMZLVBYDJRXUSK-JKSUJKDBSA-N 2 0 295.471 1.907 10 0 CDAERP CC(C)C[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001485069283 916453655 /nfs/dbraw/zinc/45/36/55/916453655.db2.gz LMZLVBYDJRXUSK-HZPDHXFCSA-N 2 0 295.471 1.907 10 0 CDAERP CC(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001485230626 916687087 /nfs/dbraw/zinc/68/70/87/916687087.db2.gz WRGMJIBSVOLARX-CHWSQXEVSA-N 2 0 257.422 1.465 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)C(C)C ZINC001485323521 916842095 /nfs/dbraw/zinc/84/20/95/916842095.db2.gz PZTLWEWISMIKEJ-HUUCEWRRSA-N 2 0 283.460 1.952 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CC1CCCC1 ZINC001485346259 916866548 /nfs/dbraw/zinc/86/65/48/916866548.db2.gz UOPJZDCCQSDJFZ-CYBMUJFWSA-N 2 0 269.433 1.565 10 0 CDAERP CC[N@H+](C)[C@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001485356248 916900315 /nfs/dbraw/zinc/90/03/15/916900315.db2.gz BITZHRPVGWCXOM-KGLIPLIRSA-N 2 0 269.433 1.707 10 0 CDAERP CC[NH2+][C@@H](CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1)C(C)C ZINC001485440013 916972328 /nfs/dbraw/zinc/97/23/28/916972328.db2.gz NDFVFMIASUKONF-CABCVRRESA-N 2 0 283.460 1.811 10 0 CDAERP Cc1nccn1CC(=O)N[C@H]1C[C@H](C[NH2+]CCC2CC2)C1 ZINC001485706035 917187500 /nfs/dbraw/zinc/18/75/00/917187500.db2.gz SZTWDZBPDOWFGX-SHTZXODSSA-N 2 0 290.411 1.476 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCC2CC2)C1 ZINC001485693642 917196212 /nfs/dbraw/zinc/19/62/12/917196212.db2.gz IRYBYCHQKXIBMH-JYJNAYRXSA-N 2 0 293.455 1.755 10 0 CDAERP CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001485830508 919457294 /nfs/dbraw/zinc/45/72/94/919457294.db2.gz GXCQOQZCSABOGG-MRXNPFEDSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@H](C)[NH2+]CCF)C1 ZINC001485911032 920565747 /nfs/dbraw/zinc/56/57/47/920565747.db2.gz DXLFPMTTXZFYAD-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP COCC[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001485922332 920579039 /nfs/dbraw/zinc/57/90/39/920579039.db2.gz JPXMHZGLQCMGJS-ZDUSSCGKSA-N 2 0 287.448 1.047 10 0 CDAERP CC(C)CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2cnc[nH]2)C1 ZINC001486123415 920732217 /nfs/dbraw/zinc/73/22/17/920732217.db2.gz BOVLSNVPRAKHJO-HIFRSBDPSA-N 2 0 292.427 1.967 10 0 CDAERP CC/C=C\CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2ncc[nH]2)C1 ZINC001486129156 920733831 /nfs/dbraw/zinc/73/38/31/920733831.db2.gz MQRSJZBBHWUDRW-OQOSRZTISA-N 2 0 290.411 1.888 10 0 CDAERP CC(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001486391032 920976538 /nfs/dbraw/zinc/97/65/38/920976538.db2.gz QGPWCHIZJWDIJU-UONOGXRCSA-N 2 0 283.460 1.857 10 0 CDAERP C[C@H](CCNC(=O)CC1CC[NH+](C)CC1)[NH2+]CCCF ZINC001649442601 1169254721 /nfs/dbraw/zinc/25/47/21/1169254721.db2.gz RCNBLASGMAKTEI-CYBMUJFWSA-N 2 0 287.423 1.562 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001491180821 936870062 /nfs/dbraw/zinc/87/00/62/936870062.db2.gz WCXRNUJCAQCNQK-LSDHHAIUSA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCn2cncc2C1 ZINC001491508474 936926606 /nfs/dbraw/zinc/92/66/06/936926606.db2.gz UJNSEDZGQSEAAM-KBPBESRZSA-N 2 0 290.411 1.506 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)CC[NH+](C)C)C1 ZINC001142103636 936974852 /nfs/dbraw/zinc/97/48/52/936974852.db2.gz PYUILZQDQWUNKQ-ZIAGYGMSSA-N 2 0 269.433 1.515 10 0 CDAERP CCCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001568411588 1169276450 /nfs/dbraw/zinc/27/64/50/1169276450.db2.gz GNOUXTNPSLILCX-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H](O)CCC[N@H+](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001410247226 925448737 /nfs/dbraw/zinc/44/87/37/925448737.db2.gz JOWPGXKRXCNWEU-CQSZACIVSA-N 2 0 299.459 1.022 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[NH+]1CC ZINC001489088910 926804278 /nfs/dbraw/zinc/80/42/78/926804278.db2.gz LHDWEHIHRKUPCS-JJXSEGSLSA-N 2 0 293.455 1.517 10 0 CDAERP CC(C)C[NH2+]CCN(C)C(=O)[C@@H]1CCn2ccnc2C1 ZINC001317605890 926907122 /nfs/dbraw/zinc/90/71/22/926907122.db2.gz JTEKFTVOFQAQHL-CYBMUJFWSA-N 2 0 278.400 1.150 10 0 CDAERP CC[C@H](C(=O)NCCC[N@H+](C)Cc1cnc(C)o1)[NH+](C)C ZINC001490213240 927016420 /nfs/dbraw/zinc/01/64/20/927016420.db2.gz DHUXFYKCMDOURS-CQSZACIVSA-N 2 0 296.415 1.261 10 0 CDAERP CC[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001490281429 927080607 /nfs/dbraw/zinc/08/06/07/927080607.db2.gz JDQRVLYMJMDQOL-ZDUSSCGKSA-N 2 0 255.406 1.319 10 0 CDAERP CCC[NH2+][C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001490709665 927293872 /nfs/dbraw/zinc/29/38/72/927293872.db2.gz KASUOISPOPLTJW-OCCSQVGLSA-N 2 0 267.417 1.223 10 0 CDAERP O[C@@H](C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)C1CC1 ZINC000819220139 930774754 /nfs/dbraw/zinc/77/47/54/930774754.db2.gz YNFRBVCLQMLIPF-IRXDYDNUSA-N 2 0 290.407 1.114 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)[NH+](C)C ZINC001136908320 931475676 /nfs/dbraw/zinc/47/56/76/931475676.db2.gz BTTWXLKWLJKIOP-RDBSUJKOSA-N 2 0 269.433 1.514 10 0 CDAERP CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001274720440 931558490 /nfs/dbraw/zinc/55/84/90/931558490.db2.gz WFKRYRRPWIFECN-QWHCGFSZSA-N 2 0 255.406 1.364 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]CC[C@@H]1CCOC1)[NH+](C)C ZINC001274913213 931607788 /nfs/dbraw/zinc/60/77/88/931607788.db2.gz LTPYYAQRSPAQCU-RBSFLKMASA-N 2 0 299.459 1.094 10 0 CDAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCF ZINC001274944190 931614709 /nfs/dbraw/zinc/61/47/09/931614709.db2.gz RZYVZROWOHIPQE-OLZOCXBDSA-N 2 0 273.396 1.313 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC2CC(C[NH2+]CCCF)C2)C1 ZINC001275284233 931724416 /nfs/dbraw/zinc/72/44/16/931724416.db2.gz HNAWBBFFICCPAO-IYXRBSQSSA-N 2 0 285.407 1.172 10 0 CDAERP CCOCC[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001275897678 932117342 /nfs/dbraw/zinc/11/73/42/932117342.db2.gz SGELRAGRTLCUHS-AWEZNQCLSA-N 2 0 299.459 1.334 10 0 CDAERP c1cnc(NCC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)cn1 ZINC000925556454 932904443 /nfs/dbraw/zinc/90/44/43/932904443.db2.gz LFMNZZRMCQHFFG-GJZGRUSLSA-N 2 0 289.427 1.646 10 0 CDAERP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+]C2CCOCC2)C1 ZINC000925888192 932950382 /nfs/dbraw/zinc/95/03/82/932950382.db2.gz QSZBRBHLROVYDI-IYBDPMFKSA-N 2 0 260.381 1.814 10 0 CDAERP CCC[C@H](O)CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000927014475 933039532 /nfs/dbraw/zinc/03/95/32/933039532.db2.gz BXCZORDUYQCLAY-YJNKXOJESA-N 2 0 254.418 2.000 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000928834939 933181759 /nfs/dbraw/zinc/18/17/59/933181759.db2.gz IMXYPVCNYLZYPD-HNNXBMFYSA-N 2 0 292.427 1.532 10 0 CDAERP Cc1cc(CC[NH2+]C2CCC(C[NH3+])CC2)nn1C ZINC001119631712 937741583 /nfs/dbraw/zinc/74/15/83/937741583.db2.gz CFPGRLXDTSQNJM-UHFFFAOYSA-N 2 0 250.390 1.378 10 0 CDAERP OCCC1([NH2+]C[C@@H](O)C[NH+]2CCCC2)CCCCC1 ZINC000687180013 934248742 /nfs/dbraw/zinc/24/87/42/934248742.db2.gz GMXVZLINCRXBQL-CQSZACIVSA-N 2 0 270.417 1.118 10 0 CDAERP C[NH+](C)C1(C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CCCC1 ZINC001413020896 935176149 /nfs/dbraw/zinc/17/61/49/935176149.db2.gz LUTOTTKGLDNIHL-HNNXBMFYSA-N 2 0 279.428 1.415 10 0 CDAERP CN(CCC[NH2+]Cc1cncs1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001276379510 936223559 /nfs/dbraw/zinc/22/35/59/936223559.db2.gz IABHDSIFORXLOH-GFCCVEGCSA-N 2 0 296.440 1.033 10 0 CDAERP CCCCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001329442661 939737947 /nfs/dbraw/zinc/73/79/47/939737947.db2.gz SLCWJGOQQFXBEY-RRFJBIMHSA-N 2 0 283.460 1.953 10 0 CDAERP CCOC(=O)N1CCC([NH2+][C@H](C)C2CC[NH2+]CC2)CC1 ZINC000400691782 940854165 /nfs/dbraw/zinc/85/41/65/940854165.db2.gz ZEBOFEAIVSPUOR-GFCCVEGCSA-N 2 0 283.416 1.585 10 0 CDAERP C[N@H+](CCN[C@@H]1C[C@H]([NH3+])C12CCC2)C1CCCC1 ZINC000405364721 940985077 /nfs/dbraw/zinc/98/50/77/940985077.db2.gz VUVRKDVEFTZALD-UONOGXRCSA-N 2 0 251.418 1.720 10 0 CDAERP CCN(CC[NH2+]CC1CC1)C(=O)C12CCC[NH+]1CCC2 ZINC001568756453 1169464211 /nfs/dbraw/zinc/46/42/11/1169464211.db2.gz LJTBPLFACBCEHW-UHFFFAOYSA-N 2 0 279.428 1.463 10 0 CDAERP C[C@H](CNC(=O)[C@@H](C)CC[NH+](C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC001362052287 970822329 /nfs/dbraw/zinc/82/23/29/970822329.db2.gz HBCSBXPMTKLIGF-QLFBSQMISA-N 2 0 283.460 1.811 10 0 CDAERP CCCC[NH2+]CCN(CC)C(=O)C[NH+]1CCC(C)CC1 ZINC001568786013 1169475273 /nfs/dbraw/zinc/47/52/73/1169475273.db2.gz IOHHSIMEGCDMIW-UHFFFAOYSA-N 2 0 283.460 1.957 10 0 CDAERP CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001277352051 942411766 /nfs/dbraw/zinc/41/17/66/942411766.db2.gz PXCJZWQARNWSRP-KGLIPLIRSA-N 2 0 267.417 1.413 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]CCCCCF)CCC2)C1 ZINC001280545746 942460020 /nfs/dbraw/zinc/46/00/20/942460020.db2.gz RXNFBCUUPBZNIU-AWEZNQCLSA-N 2 0 299.434 1.706 10 0 CDAERP CCC[NH2+]CC1(O)CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001281634625 942602244 /nfs/dbraw/zinc/60/22/44/942602244.db2.gz MRLHQTJGKCVHRX-UHFFFAOYSA-N 2 0 299.459 1.071 10 0 CDAERP CC[NH2+]CCCOCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001277608045 943123858 /nfs/dbraw/zinc/12/38/58/943123858.db2.gz CLQMDLLZRNJONG-CABCVRRESA-N 2 0 297.443 1.136 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC[N@@H+]1C ZINC001362165220 970965719 /nfs/dbraw/zinc/96/57/19/970965719.db2.gz NIUIFEJKSVKEHM-HRCADAONSA-N 2 0 293.455 1.804 10 0 CDAERP CCC[NH2+]C[C@H](NC(=O)C1(C[NH+](C)C)CC1)C(C)(C)C ZINC001284616264 943228034 /nfs/dbraw/zinc/22/80/34/943228034.db2.gz BECLVIZDGXGKKT-ZDUSSCGKSA-N 2 0 283.460 1.859 10 0 CDAERP CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001265088299 944225878 /nfs/dbraw/zinc/22/58/78/944225878.db2.gz BJSCPCJSPLMETC-OLZOCXBDSA-N 2 0 255.406 1.317 10 0 CDAERP COCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001265649972 944458230 /nfs/dbraw/zinc/45/82/30/944458230.db2.gz YSLCEUKAOPMPMA-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP COCCCC[NH2+][C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001265794447 944511125 /nfs/dbraw/zinc/51/11/25/944511125.db2.gz OGAKVATZWHHCHX-AWEZNQCLSA-N 2 0 297.443 1.136 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H](C[NH2+]CCF)C2)C1 ZINC001266009726 944627875 /nfs/dbraw/zinc/62/78/75/944627875.db2.gz XXHPASPWJXKATA-CABCVRRESA-N 2 0 299.434 1.516 10 0 CDAERP C[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC001261493134 946142292 /nfs/dbraw/zinc/14/22/92/946142292.db2.gz LJHUHZVWLWVQPB-KBPBESRZSA-N 2 0 267.417 1.352 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001331559444 947382668 /nfs/dbraw/zinc/38/26/68/947382668.db2.gz FJBXDKXLRBDNBF-LSDHHAIUSA-N 2 0 281.444 1.731 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)C1CC[NH+](CCCF)CC1 ZINC001479896439 971473609 /nfs/dbraw/zinc/47/36/09/971473609.db2.gz SJKDOPWSBQRZLM-UHFFFAOYSA-N 2 0 287.423 1.609 10 0 CDAERP CC(C)[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001278470713 948508253 /nfs/dbraw/zinc/50/82/53/948508253.db2.gz WWKMRMPJYAKXRP-ZFWWWQNUSA-N 2 0 267.417 1.317 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001480211696 971630255 /nfs/dbraw/zinc/63/02/55/971630255.db2.gz VUXJJSPZEMFSEA-QLFBSQMISA-N 2 0 281.444 1.898 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]C(C)C)C1 ZINC001480233693 971640292 /nfs/dbraw/zinc/64/02/92/971640292.db2.gz MZKZLROUJIWLSX-BETUJISGSA-N 2 0 255.406 1.364 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001480275518 971655802 /nfs/dbraw/zinc/65/58/02/971655802.db2.gz BJNLORHWKGZMQW-CVEARBPZSA-N 2 0 293.455 1.875 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001480659178 971827612 /nfs/dbraw/zinc/82/76/12/971827612.db2.gz OUJMPKMOATZFRW-INIZCTEOSA-N 2 0 293.455 1.877 10 0 CDAERP CO[C@H](C)C[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001480742974 971856219 /nfs/dbraw/zinc/85/62/19/971856219.db2.gz UKPXUUQRSZWELH-HUUCEWRRSA-N 2 0 299.459 1.284 10 0 CDAERP CC1CC[NH+](CC(=O)N[C@@H]2C[C@@H]([NH+](C)C)C23CCC3)CC1 ZINC001364190385 954305046 /nfs/dbraw/zinc/30/50/46/954305046.db2.gz DEDRDYSPWVGAQO-HUUCEWRRSA-N 2 0 293.455 1.707 10 0 CDAERP C[C@]1(CNC(=O)[C@H]2CCCC[C@H]2[NH3+])CCC[NH2+]C1 ZINC001326536489 954424065 /nfs/dbraw/zinc/42/40/65/954424065.db2.gz LVMXUNGMIKLGOX-SCRDCRAPSA-N 2 0 253.390 1.010 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC001326627814 954463170 /nfs/dbraw/zinc/46/31/70/954463170.db2.gz RXLSIOXBYOQPKZ-MELADBBJSA-N 2 0 269.433 1.741 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001328344041 955270275 /nfs/dbraw/zinc/27/02/75/955270275.db2.gz UFWSONDXFKWVMU-GOEBONIOSA-N 2 0 293.455 1.779 10 0 CDAERP CC1CC(C[NH2+]CCN(C)C(=O)C(C)(C)c2cnc[nH]2)C1 ZINC001493763660 972112382 /nfs/dbraw/zinc/11/23/82/972112382.db2.gz MNEDEZXJICYDDI-UHFFFAOYSA-N 2 0 292.427 1.781 10 0 CDAERP C[C@@H]1CN(C[C@@H](O)C[N@H+](C)C2CC2)CC[NH+]1C1CCCC1 ZINC001422255563 955896848 /nfs/dbraw/zinc/89/68/48/955896848.db2.gz XFVSYEUUAALCKU-PBHICJAKSA-N 2 0 295.471 1.390 10 0 CDAERP CCc1nocc1C[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001422617412 956194936 /nfs/dbraw/zinc/19/49/36/956194936.db2.gz KUFVEGRSKKZAHY-GFCCVEGCSA-N 2 0 296.415 1.172 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC1CCC1 ZINC001422651350 956230130 /nfs/dbraw/zinc/23/01/30/956230130.db2.gz QFSJAJWSDGSQOW-DZGCQCFKSA-N 2 0 281.444 1.755 10 0 CDAERP C[NH+](C)CC1(C(=O)NCCC[N@H+](C)CC2CCC2)CC1 ZINC001316844921 956248238 /nfs/dbraw/zinc/24/82/38/956248238.db2.gz GWVUFSNHUDNVGZ-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP CC[C@@H](C)C[NH+]1CC([C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001422729174 956292675 /nfs/dbraw/zinc/29/26/75/956292675.db2.gz GJRAWGBYXKKGKO-ZIAGYGMSSA-N 2 0 295.471 1.811 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)C1C[NH+](C[C@@H](C)CC)C1 ZINC001422756324 956311027 /nfs/dbraw/zinc/31/10/27/956311027.db2.gz QRFGJNSQYOYYCA-UONOGXRCSA-N 2 0 283.460 1.811 10 0 CDAERP CC[C@H]1CCN(C(=[NH2+])NC[C@@H]2CCC[N@H+](CC)C2)C1 ZINC001330273444 956353762 /nfs/dbraw/zinc/35/37/62/956353762.db2.gz DLTVRESLVBECDY-KBPBESRZSA-N 2 0 266.433 1.975 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)CCC[NH+](C)C ZINC001365789627 956365372 /nfs/dbraw/zinc/36/53/72/956365372.db2.gz JPKCGFOGMJEHGX-HNNXBMFYSA-N 2 0 283.460 1.907 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)C1 ZINC001363458025 972181940 /nfs/dbraw/zinc/18/19/40/972181940.db2.gz JJSHXNCQFMRDEM-OAGGEKHMSA-N 2 0 293.455 1.850 10 0 CDAERP CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001422917004 956448475 /nfs/dbraw/zinc/44/84/75/956448475.db2.gz JDLUCPUIYOIAKK-RBSFLKMASA-N 2 0 281.444 1.611 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]([NH2+]C/C=C/Cl)C2CC2)C1 ZINC001366055755 956534208 /nfs/dbraw/zinc/53/42/08/956534208.db2.gz MTNBPTKZZONNAB-SZOGZUGYSA-N 2 0 299.846 1.565 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CCc2cccs2)C1 ZINC001366123650 956582369 /nfs/dbraw/zinc/58/23/69/956582369.db2.gz KMXMZUFKXOSUQL-JOCQHMNTSA-N 2 0 295.452 1.479 10 0 CDAERP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1)c1ccccc1 ZINC001366153893 956605485 /nfs/dbraw/zinc/60/54/85/956605485.db2.gz GRBRMBCSVWXIKO-BMFZPTHFSA-N 2 0 289.423 1.936 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001366167361 956615212 /nfs/dbraw/zinc/61/52/12/956615212.db2.gz FVXXCZAYYWVHEP-MCIONIFRSA-N 2 0 279.428 1.365 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnoc2C)C1 ZINC001366174637 956622551 /nfs/dbraw/zinc/62/25/51/956622551.db2.gz ZCVJOEWICYANEQ-OKILXGFUSA-N 2 0 294.399 1.062 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1cccnc1 ZINC001366288520 956714539 /nfs/dbraw/zinc/71/45/39/956714539.db2.gz CDVSGLSBCXRONM-UKRRQHHQSA-N 2 0 290.411 1.160 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]C/C=C\Cl)CC1 ZINC001423306483 956715223 /nfs/dbraw/zinc/71/52/23/956715223.db2.gz HGSPYMDJEFDHJX-DAXSKMNVSA-N 2 0 273.808 1.318 10 0 CDAERP CC(C)CC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H]1C ZINC001423331228 956726106 /nfs/dbraw/zinc/72/61/06/956726106.db2.gz SOUDCHMYPCCXOW-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccccn1 ZINC001366318153 956736222 /nfs/dbraw/zinc/73/62/22/956736222.db2.gz YJUQVYVODHUYNR-HIFRSBDPSA-N 2 0 290.411 1.160 10 0 CDAERP Cc1noc(C)c1C[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001366368778 956774227 /nfs/dbraw/zinc/77/42/27/956774227.db2.gz RGSGCKRHHAPQCK-NSHDSACASA-N 2 0 296.415 1.226 10 0 CDAERP CC(C)CC[NH2+][C@H]1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001366387233 956788562 /nfs/dbraw/zinc/78/85/62/956788562.db2.gz FLFJXCIZLBHHGO-RDJZCZTQSA-N 2 0 293.455 1.709 10 0 CDAERP CC[C@@H](F)C[N@H+](CC)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001366617097 957043548 /nfs/dbraw/zinc/04/35/48/957043548.db2.gz XFQWLGOOJSYUBW-HUUCEWRRSA-N 2 0 299.434 1.514 10 0 CDAERP COCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001316882554 957086651 /nfs/dbraw/zinc/08/66/51/957086651.db2.gz ZPWQFIRDOBSEKY-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCC[NH+]2CC2CCC2)C1 ZINC001366669997 957101101 /nfs/dbraw/zinc/10/11/01/957101101.db2.gz OZRWJYSUDUZAPH-HOCLYGCPSA-N 2 0 293.455 1.709 10 0 CDAERP CCCCOCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001317061971 957238750 /nfs/dbraw/zinc/23/87/50/957238750.db2.gz QYHLKLAFXMBOHN-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CC[N@H+](CCF)CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001424660266 957292207 /nfs/dbraw/zinc/29/22/07/957292207.db2.gz JNJZGHKJOMBCEU-UHFFFAOYSA-N 2 0 299.434 1.612 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001367016979 957341365 /nfs/dbraw/zinc/34/13/65/957341365.db2.gz ZIBYQYWZTHJVTJ-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCCCO2)C1)[NH+](C)C ZINC001367023028 957349109 /nfs/dbraw/zinc/34/91/09/957349109.db2.gz IOIABERXRQSDRF-QLFBSQMISA-N 2 0 297.443 1.086 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCC(C)(C)C ZINC001317231233 957360922 /nfs/dbraw/zinc/36/09/22/957360922.db2.gz YIKRIGSWSBBTCS-QWHCGFSZSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]Cc1ccccc1 ZINC001424844305 957379602 /nfs/dbraw/zinc/37/96/02/957379602.db2.gz SBYCGZKWDNZDIF-GJZGRUSLSA-N 2 0 289.423 1.765 10 0 CDAERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]Cc1cncs1 ZINC001424848321 957382291 /nfs/dbraw/zinc/38/22/91/957382291.db2.gz ZJCVBWCLLSRVEE-NWDGAFQWSA-N 2 0 296.440 1.222 10 0 CDAERP CC(C)CCC[NH2+][C@@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001317262207 957387561 /nfs/dbraw/zinc/38/75/61/957387561.db2.gz BEKCQXFFRVOPMU-CABCVRRESA-N 2 0 283.460 1.859 10 0 CDAERP C[N@H+](CC(=O)N[C@H]1CCC[C@H]([NH2+]CCCF)C1)C1CCC1 ZINC001317354032 957434651 /nfs/dbraw/zinc/43/46/51/957434651.db2.gz BGOUVLLCFAUKBI-KBPBESRZSA-N 2 0 299.434 1.847 10 0 CDAERP C[C@@H](F)CC[NH+]1CC([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001425265355 957499094 /nfs/dbraw/zinc/49/90/94/957499094.db2.gz ZWYQZMZHKHMPSO-VXGBXAGGSA-N 2 0 273.396 1.123 10 0 CDAERP CC[N@@H+](CC=C(C)C)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001317479659 957501952 /nfs/dbraw/zinc/50/19/52/957501952.db2.gz KBRGKHPDBMYBSN-HNNXBMFYSA-N 2 0 283.460 1.977 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+](CCCCCF)C2)C1 ZINC001317534383 957534598 /nfs/dbraw/zinc/53/45/98/957534598.db2.gz KCWUHTHGCOHVBD-LSDHHAIUSA-N 2 0 299.434 1.516 10 0 CDAERP CN(CC[NH2+]CCF)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001317584543 957582219 /nfs/dbraw/zinc/58/22/19/957582219.db2.gz HYGBRRQADGUWJD-AWEZNQCLSA-N 2 0 299.434 1.659 10 0 CDAERP CC1CC(C[NH2+]CCN(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001317587736 957584993 /nfs/dbraw/zinc/58/49/93/957584993.db2.gz VKNAEDGUNOVJLW-XUJLQICISA-N 2 0 293.455 1.422 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)N(C)C(=O)COC1CC[NH+](C)CC1 ZINC001367393565 957988245 /nfs/dbraw/zinc/98/82/45/957988245.db2.gz FXPSXSMSXWJYOA-CQSZACIVSA-N 2 0 299.459 1.190 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CCCCC1 ZINC001367451497 958019546 /nfs/dbraw/zinc/01/95/46/958019546.db2.gz WEQFLPWLFKTUNR-HUUCEWRRSA-N 2 0 281.444 1.613 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](CCCCCF)C2)C1 ZINC001318370135 958059136 /nfs/dbraw/zinc/05/91/36/958059136.db2.gz GEIMRAMWHYFZMI-UONOGXRCSA-N 2 0 285.407 1.268 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[NH+](C)CC2CCCC2)C1 ZINC001367537042 958115920 /nfs/dbraw/zinc/11/59/20/958115920.db2.gz OWWBWGQFXSPHOI-OAHLLOKOSA-N 2 0 295.471 1.909 10 0 CDAERP CCN(CC[NH2+]C(C)C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001367642652 958165021 /nfs/dbraw/zinc/16/50/21/958165021.db2.gz HOMQHKBMXGIURY-HUUCEWRRSA-N 2 0 281.444 1.850 10 0 CDAERP O=C(NCC[NH+]1CC=CC1)c1cccc(C[NH+]2CCCC2)c1 ZINC001318707259 958238759 /nfs/dbraw/zinc/23/87/59/958238759.db2.gz WYPZFXPOTUPDLA-UHFFFAOYSA-N 2 0 299.418 1.884 10 0 CDAERP CCN(C(=O)C[NH+]1CC[C@@H](C)C1)[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001494910260 972335257 /nfs/dbraw/zinc/33/52/57/972335257.db2.gz MFPBHDLICLEHRS-GDBMZVCRSA-N 2 0 293.455 1.661 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001367961879 958523781 /nfs/dbraw/zinc/52/37/81/958523781.db2.gz QMQGBRRQZDTQFH-CQSZACIVSA-N 2 0 281.444 1.565 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CC[NH+]2CCC(C)(C)C)C1 ZINC001367986429 958550803 /nfs/dbraw/zinc/55/08/03/958550803.db2.gz SWHAPGXEJYLMLN-GJZGRUSLSA-N 2 0 295.471 1.955 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@]1(C)CC[NH+](CCCF)C1 ZINC001368150440 958666775 /nfs/dbraw/zinc/66/67/75/958666775.db2.gz HKPNBBVECVQIBR-ZBFHGGJFSA-N 2 0 299.434 1.801 10 0 CDAERP CC[C@H](C(=O)NC[C@]1(C)CCC[N@H+](CCOC)C1)[NH+](C)C ZINC001368221048 958705274 /nfs/dbraw/zinc/70/52/74/958705274.db2.gz YDPAXSFBKYJNQG-ZBFHGGJFSA-N 2 0 299.459 1.191 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccn2)C1 ZINC001368493853 958897746 /nfs/dbraw/zinc/89/77/46/958897746.db2.gz FBBBICUOPOHJPT-OTVXOJSOSA-N 2 0 290.411 1.018 10 0 CDAERP CC(C)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001320423373 959161188 /nfs/dbraw/zinc/16/11/88/959161188.db2.gz UZIYQELZWYCAFD-MGPQQGTHSA-N 2 0 269.433 1.467 10 0 CDAERP CCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001320423071 959161405 /nfs/dbraw/zinc/16/14/05/959161405.db2.gz SNAPFJPBWJEHTH-MELADBBJSA-N 2 0 269.433 1.611 10 0 CDAERP Cc1ncoc1C[NH2+][C@@H](C)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001368918480 959253191 /nfs/dbraw/zinc/25/31/91/959253191.db2.gz UZMSCEQBGJOIHF-RYUDHWBXSA-N 2 0 294.399 1.062 10 0 CDAERP CCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001368957734 959326994 /nfs/dbraw/zinc/32/69/94/959326994.db2.gz CEWIDJCONLVKIG-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)C[NH+]1CCCC1 ZINC001369217534 959536066 /nfs/dbraw/zinc/53/60/66/959536066.db2.gz BBGNNHVUDTTYCB-OAHLLOKOSA-N 2 0 281.444 1.565 10 0 CDAERP O=C(NC/C=C/C[NH2+]C/C=C/Cl)C12CCC[NH+]1CCC2 ZINC001321141072 959615470 /nfs/dbraw/zinc/61/54/70/959615470.db2.gz KGCLCQBKJLIWBO-KYSLCSEMSA-N 2 0 297.830 1.629 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NC/C=C\C[NH2+]CCC2CC2)CC[N@@H+]1C ZINC001321208969 959657205 /nfs/dbraw/zinc/65/72/05/959657205.db2.gz MPQIAYZSBQKENO-XJNRFOTBSA-N 2 0 293.455 1.779 10 0 CDAERP CC(C)CC[NH+]1CCC([NH2+]CCOCCCO)CC1 ZINC001335280633 959679690 /nfs/dbraw/zinc/67/96/90/959679690.db2.gz DRIHNYMFPFNNEF-UHFFFAOYSA-N 2 0 272.433 1.486 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001369518428 959730303 /nfs/dbraw/zinc/73/03/03/959730303.db2.gz ZEUIBQYAPDQCIC-HNNXBMFYSA-N 2 0 299.459 1.022 10 0 CDAERP CCC[NH2+]C[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001321681193 959904964 /nfs/dbraw/zinc/90/49/64/959904964.db2.gz SLYJAMIKALZKSN-CYBMUJFWSA-N 2 0 277.412 1.866 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)[NH2+]CC2CC2)C1 ZINC001371321799 972469777 /nfs/dbraw/zinc/46/97/77/972469777.db2.gz IXQVYOUDRIVDKI-ZFWWWQNUSA-N 2 0 281.444 1.613 10 0 CDAERP COCCO[C@@H]1CC[N@H+](Cc2[nH]c(C)nc2C)C1 ZINC001335888950 960081915 /nfs/dbraw/zinc/08/19/15/960081915.db2.gz AYCVQFOWJNTZFH-GFCCVEGCSA-N 2 0 253.346 1.264 10 0 CDAERP CC[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)[NH+](C)C ZINC001370594566 960154999 /nfs/dbraw/zinc/15/49/99/960154999.db2.gz RHUBWWISZWNYLJ-UYTSQGDYSA-N 2 0 293.455 1.848 10 0 CDAERP C[NH+](C)C1(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)CCCC1 ZINC001434041685 960922746 /nfs/dbraw/zinc/92/27/46/960922746.db2.gz NIUCVWJRGMLUTP-INIZCTEOSA-N 2 0 293.455 1.805 10 0 CDAERP CCc1nccn1CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001434356068 961192922 /nfs/dbraw/zinc/19/29/22/961192922.db2.gz NUKPNDGHKCPFBO-UONOGXRCSA-N 2 0 290.411 1.579 10 0 CDAERP CC[C@H](F)CN1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001419062237 961320513 /nfs/dbraw/zinc/32/05/13/961320513.db2.gz SRQDCCGIYGVAEK-STQMWFEESA-N 2 0 285.407 1.267 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]2C[NH+](CCF)CC[C@H]21 ZINC001419448076 961716506 /nfs/dbraw/zinc/71/65/06/961716506.db2.gz MKXOBMFOYATULX-HUUCEWRRSA-N 2 0 299.434 1.611 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CCO[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001419570360 961826065 /nfs/dbraw/zinc/82/60/65/961826065.db2.gz SHLHGISGZZUGBZ-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC2(C[NH+](C(C)C)C2)CC1 ZINC001419636634 961903137 /nfs/dbraw/zinc/90/31/37/961903137.db2.gz PKTGNSPNNSZFQB-UHFFFAOYSA-N 2 0 281.444 1.659 10 0 CDAERP CCC(CC)C[NH2+][C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001419735126 962055735 /nfs/dbraw/zinc/05/57/35/962055735.db2.gz DDARRNFPZKYSBQ-CZUORRHYSA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001436726225 962368931 /nfs/dbraw/zinc/36/89/31/962368931.db2.gz OPWKJYQSIXSRNW-LSDHHAIUSA-N 2 0 281.444 1.707 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]([NH2+]C/C=C\Cl)C2CC2)C1 ZINC001436825283 962439339 /nfs/dbraw/zinc/43/93/39/962439339.db2.gz HHDPLDCKHKBBBB-IIQFCBPVSA-N 2 0 299.846 1.565 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]([NH2+]C/C=C/Cl)C1 ZINC001436926209 962500185 /nfs/dbraw/zinc/50/01/85/962500185.db2.gz CDIWHQGKIDTKMW-ONDVGXNJSA-N 2 0 271.792 1.072 10 0 CDAERP Cn1nc2c(c1CNCCC[NH+]1CCCC1)CCC2 ZINC001339860565 962583743 /nfs/dbraw/zinc/58/37/43/962583743.db2.gz ZVYKNCYBMZQPAE-UHFFFAOYSA-N 2 0 262.401 1.484 10 0 CDAERP C[N@H+](CCCC1CCC1)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001420332432 962755029 /nfs/dbraw/zinc/75/50/29/962755029.db2.gz CIKNRQJBKIGZNR-UHFFFAOYSA-N 2 0 293.455 1.711 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CCC[NH+]2CC2CCC2)C1 ZINC001420493850 962976925 /nfs/dbraw/zinc/97/69/25/962976925.db2.gz MUMGJDQLCWXRPT-HZPDHXFCSA-N 2 0 293.455 1.709 10 0 CDAERP C[C@H](C[N@H+](C)CC1CC1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001420591981 963101503 /nfs/dbraw/zinc/10/15/03/963101503.db2.gz JSIWPAWLXRYNHU-CQSZACIVSA-N 2 0 293.455 1.709 10 0 CDAERP Cc1cc(C[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C)cs1 ZINC001420611193 963117345 /nfs/dbraw/zinc/11/73/45/963117345.db2.gz BHLISEBNIPSNIL-GFCCVEGCSA-N 2 0 297.468 1.945 10 0 CDAERP C[C@H](C[N@H+](C)CC[C@H]1CCCO1)NC(=O)C[NH+]1CCCC1 ZINC001420656283 963165744 /nfs/dbraw/zinc/16/57/44/963165744.db2.gz DQRWKPXFVLSRII-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC([C@H](C)[NH2+]CCF)CC1 ZINC001437857451 963212185 /nfs/dbraw/zinc/21/21/85/963212185.db2.gz QDLZTGSXKOCRSF-ZDUSSCGKSA-N 2 0 287.423 1.513 10 0 CDAERP CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001437939235 963247676 /nfs/dbraw/zinc/24/76/76/963247676.db2.gz TZPOMRLLWOHXCD-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](C)C[NH+]1CC(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001438051175 963298471 /nfs/dbraw/zinc/29/84/71/963298471.db2.gz CIBUAAJAVVYLEI-ZFWWWQNUSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@H](C)C[NH+]1CC(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001438097215 963319348 /nfs/dbraw/zinc/31/93/48/963319348.db2.gz QQMGENOWJSIDSW-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP O=C(NCC1([NH2+]C/C=C\Cl)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001420943229 963376724 /nfs/dbraw/zinc/37/67/24/963376724.db2.gz VGQSBZZFXWQDKP-DFICIIQISA-N 2 0 297.830 1.319 10 0 CDAERP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[NH2+]CC1CC1 ZINC001438300836 963412379 /nfs/dbraw/zinc/41/23/79/963412379.db2.gz HPYMIYCIHSYSIY-LSDHHAIUSA-N 2 0 281.444 1.754 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccns1 ZINC001438371920 963433516 /nfs/dbraw/zinc/43/35/16/963433516.db2.gz RVJOUIDJIOEPCO-NWDGAFQWSA-N 2 0 296.440 1.079 10 0 CDAERP C[NH+](C)CCCC(=O)NCC1C[NH+](CC2CC(C)(C)C2)C1 ZINC001421176991 963484714 /nfs/dbraw/zinc/48/47/14/963484714.db2.gz WPWBXEYRDUPOOO-UHFFFAOYSA-N 2 0 295.471 1.812 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCC2CC2)[C@@H](C)C1 ZINC001438782468 963547510 /nfs/dbraw/zinc/54/75/10/963547510.db2.gz ZVKFBVDDMSXUJF-GOEBONIOSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)CC[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001438875281 963587755 /nfs/dbraw/zinc/58/77/55/963587755.db2.gz VONNOXSCUHNGLT-HUUCEWRRSA-N 2 0 283.460 1.763 10 0 CDAERP C[C@H](CN1CC[NH+](C(C)(C)C)CC1)C[NH+]1CCOCC1 ZINC001421487175 963614381 /nfs/dbraw/zinc/61/43/81/963614381.db2.gz SQMUOTPAQNUPES-OAHLLOKOSA-N 2 0 283.460 1.371 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CC1)C1CCCC1 ZINC001439820521 963866525 /nfs/dbraw/zinc/86/65/25/963866525.db2.gz SOYHNQAHERQVNL-CVEARBPZSA-N 2 0 293.455 1.755 10 0 CDAERP C[NH+](C)CCC(=O)NCC1([NH2+]C/C=C\Cl)CCC1 ZINC001440329963 963990515 /nfs/dbraw/zinc/99/05/15/963990515.db2.gz CAGYZKQKIRJFPM-YWEYNIOJSA-N 2 0 273.808 1.319 10 0 CDAERP CC[C@H](C(=O)N1CCC(CC)([NH2+]CCF)CC1)[NH+](C)C ZINC001440518714 964098553 /nfs/dbraw/zinc/09/85/53/964098553.db2.gz GRNIEFRXUWBTRF-CYBMUJFWSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CCC1CC1 ZINC001440645985 964126702 /nfs/dbraw/zinc/12/67/02/964126702.db2.gz IBGWNTBPKGZYSL-UKRRQHHQSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)CC1CCCC1 ZINC001441005294 964321881 /nfs/dbraw/zinc/32/18/81/964321881.db2.gz ANCUBWVAQVRUCO-HIFRSBDPSA-N 2 0 281.444 1.565 10 0 CDAERP CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001441342765 964468180 /nfs/dbraw/zinc/46/81/80/964468180.db2.gz SXILDKNVGTYWHW-RRFJBIMHSA-N 2 0 293.455 1.707 10 0 CDAERP C[C@@H]([NH2+][C@@H](C)CNC(=O)CC[NH+](C)C)c1ccc(F)cc1 ZINC001441943669 964801877 /nfs/dbraw/zinc/80/18/77/964801877.db2.gz UHYNWHMMEWZNPR-QWHCGFSZSA-N 2 0 295.402 1.933 10 0 CDAERP C[C@@H](CNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH2+]CCC1CC1 ZINC001442025648 964838459 /nfs/dbraw/zinc/83/84/59/964838459.db2.gz WCCBFVBHIHBYPV-BBRMVZONSA-N 2 0 279.428 1.367 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)C1 ZINC001442559638 965115657 /nfs/dbraw/zinc/11/56/57/965115657.db2.gz MVJRWRQGQIGYNL-OAGGEKHMSA-N 2 0 293.455 1.804 10 0 CDAERP CC(C)CCC[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001442800138 965225793 /nfs/dbraw/zinc/22/57/93/965225793.db2.gz LOLQUZDITSBUMG-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP C[N@H+](CC(=O)N[C@@H]1C[NH+](C)CC1(C)C)CC(C)(C)C ZINC001558503476 965301074 /nfs/dbraw/zinc/30/10/74/965301074.db2.gz KGHDVORVGXPJPD-GFCCVEGCSA-N 2 0 269.433 1.421 10 0 CDAERP C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCC[NH+]3CC=CCC3)C[N@@H+]2C1 ZINC001347018665 965331901 /nfs/dbraw/zinc/33/19/01/965331901.db2.gz OITCZFZCFCDSRO-PMPSAXMXSA-N 2 0 291.439 1.485 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001443255362 965417144 /nfs/dbraw/zinc/41/71/44/965417144.db2.gz AYHPNKOBLFPIIG-CVEARBPZSA-N 2 0 295.471 1.812 10 0 CDAERP C[C@H](F)CC[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001443335974 965445824 /nfs/dbraw/zinc/44/58/24/965445824.db2.gz PNTSQLDIVZRKAH-KBPBESRZSA-N 2 0 287.423 1.467 10 0 CDAERP CC[N@H+](C)CCC(=O)NCC1C[NH+](CC[C@@H](C)F)C1 ZINC001443645460 965547390 /nfs/dbraw/zinc/54/73/90/965547390.db2.gz SGITXTQSPAXWLB-GFCCVEGCSA-N 2 0 273.396 1.124 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001443811922 965616262 /nfs/dbraw/zinc/61/62/62/965616262.db2.gz JPAGHVSHUXKCML-DZGCQCFKSA-N 2 0 299.434 1.752 10 0 CDAERP CC[NH2+]CC1(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCCC1 ZINC001444061996 965724387 /nfs/dbraw/zinc/72/43/87/965724387.db2.gz OUTHVIBCIXJURU-CQSZACIVSA-N 2 0 279.428 1.367 10 0 CDAERP COC[C@@H](C)[NH2+]CC1(NC(=O)C[N@H+](C)C(C)C)CCCC1 ZINC001444094086 965735515 /nfs/dbraw/zinc/73/55/15/965735515.db2.gz ZGVRGQDSYLOOOY-CQSZACIVSA-N 2 0 299.459 1.380 10 0 CDAERP CC(C)[NH2+]C[C@](C)(NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001444151142 965743429 /nfs/dbraw/zinc/74/34/29/965743429.db2.gz NIEJBQUKWUCDSF-CJNGLKHVSA-N 2 0 281.444 1.611 10 0 CDAERP CC[C@@H](C)C[NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001444928599 966006983 /nfs/dbraw/zinc/00/69/83/966006983.db2.gz DCAHVVWHGCYRNT-CABCVRRESA-N 2 0 295.471 1.859 10 0 CDAERP CC[N@H+](C)C[C@H](C)NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001445819074 966349505 /nfs/dbraw/zinc/34/95/05/966349505.db2.gz NLDWDRPROONXRK-SWLSCSKDSA-N 2 0 287.423 1.655 10 0 CDAERP C[C@H](C[N@H+](C)CC1CCC1)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001445859814 966369422 /nfs/dbraw/zinc/36/94/22/966369422.db2.gz YNOHZGSBZBHXIZ-HIFRSBDPSA-N 2 0 281.444 1.565 10 0 CDAERP C[NH+](C)CCC(=O)NCC1([NH2+]CC2CC3(CCC3)C2)CC1 ZINC001446225164 966488994 /nfs/dbraw/zinc/48/89/94/966488994.db2.gz DAZVYYDDVIEFEX-UHFFFAOYSA-N 2 0 293.455 1.757 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC)CCC1(F)F ZINC001446722967 966625707 /nfs/dbraw/zinc/62/57/07/966625707.db2.gz DKOQOHOXBLTYAL-GFCCVEGCSA-N 2 0 291.386 1.422 10 0 CDAERP C[NH+](C)CC(=O)N1CCC(C(C)(C)C[NH+](C)C)CC1 ZINC001350741584 966750435 /nfs/dbraw/zinc/75/04/35/966750435.db2.gz UDCBTKSKRMFSDJ-UHFFFAOYSA-N 2 0 269.433 1.374 10 0 CDAERP Cc1cccc(C[NH2+][C@H](C)[C@H](C)NC(=O)CC[NH+](C)C)c1 ZINC001447914427 966928242 /nfs/dbraw/zinc/92/82/42/966928242.db2.gz ZNEHCYNAPCIESB-CABCVRRESA-N 2 0 291.439 1.930 10 0 CDAERP C[C@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)[NH2+]CC1CCCC1 ZINC001447929330 966931938 /nfs/dbraw/zinc/93/19/38/966931938.db2.gz LWFMNXPQXXARGU-KBPBESRZSA-N 2 0 293.455 1.755 10 0 CDAERP CC(C)CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001448015177 966964462 /nfs/dbraw/zinc/96/44/62/966964462.db2.gz LOZJHTLHFCIDGT-RRFJBIMHSA-N 2 0 283.460 1.809 10 0 CDAERP CC[N@@H+]1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)[C@@H](C)C1 ZINC001449330117 967433425 /nfs/dbraw/zinc/43/34/25/967433425.db2.gz FCJNCZIZXQHWJL-ZNMIVQPWSA-N 2 0 281.444 1.659 10 0 CDAERP C[C@@H]1C[C@H]2CC[C@H](C(=O)NCC[NH+]3CCCC3)C[N@@H+]2C1 ZINC001463822786 969752552 /nfs/dbraw/zinc/75/25/52/969752552.db2.gz DURHFFXLGWZPEK-QLFBSQMISA-N 2 0 279.428 1.319 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)CC[NH+]1CC[C@@H](F)C1 ZINC001465021054 969839213 /nfs/dbraw/zinc/83/92/13/969839213.db2.gz JCUKUIBETADQIO-HUUCEWRRSA-N 2 0 299.434 1.801 10 0 CDAERP CC[N@H+]1[C@H](C)CN(C(=O)CC[NH+]2CC[C@H](F)C2)C[C@@H]1C ZINC001469607399 970260362 /nfs/dbraw/zinc/26/03/62/970260362.db2.gz BFWPXLXQMBLPOL-MJBXVCDLSA-N 2 0 285.407 1.361 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NCC12CCC[NH+](CCC1)C2 ZINC001470755110 970367371 /nfs/dbraw/zinc/36/73/71/970367371.db2.gz ZPRBBLRXLSQYGW-CQSZACIVSA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)NCCc2nccn2C)C1 ZINC001471785493 970478352 /nfs/dbraw/zinc/47/83/52/970478352.db2.gz CTPRYMACYBCYAS-ZDUSSCGKSA-N 2 0 278.400 1.199 10 0 CDAERP CC(C)CCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001495716105 972604465 /nfs/dbraw/zinc/60/44/65/972604465.db2.gz GLEYKUIYVPVYDB-LSDHHAIUSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@H](C[NH2+]C/C=C/Cl)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001496083104 972790905 /nfs/dbraw/zinc/79/09/05/972790905.db2.gz UVZUIHDNMVHLEB-UVMWJGKXSA-N 2 0 287.835 1.660 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]C(C)C ZINC001496098730 972792527 /nfs/dbraw/zinc/79/25/27/972792527.db2.gz NGKFXSUPCMAYFV-GJZGRUSLSA-N 2 0 283.460 1.952 10 0 CDAERP C[C@H](C[NH2+]Cc1cccc(F)c1)N(C)C(=O)CC[NH+](C)C ZINC001496148828 972816856 /nfs/dbraw/zinc/81/68/56/972816856.db2.gz HEKTYCXJUFTHAZ-CYBMUJFWSA-N 2 0 295.402 1.714 10 0 CDAERP C[C@@H](C[NH2+]Cc1cncc(F)c1)N(C)C(=O)CC[NH+](C)C ZINC001496151310 972820994 /nfs/dbraw/zinc/82/09/94/972820994.db2.gz VHBPTAILFFHIIX-LBPRGKRZSA-N 2 0 296.390 1.109 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCOC)[C@@H](C)C1 ZINC001496366682 972900387 /nfs/dbraw/zinc/90/03/87/972900387.db2.gz FBMIMSVXOFVVRL-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C[C@@H](F)CC ZINC001372745883 973107282 /nfs/dbraw/zinc/10/72/82/973107282.db2.gz DOPRSGIMOIHOJK-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC1CC1 ZINC001497334123 973290832 /nfs/dbraw/zinc/29/08/32/973290832.db2.gz WSJWYMJDWPSLNK-ZFWWWQNUSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001418078629 973570243 /nfs/dbraw/zinc/57/02/43/973570243.db2.gz XAAPCHFKAIBKRQ-KBUPBQIOSA-N 2 0 299.434 1.846 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001498283048 973807865 /nfs/dbraw/zinc/80/78/65/973807865.db2.gz NOTQPZOTNVAALY-GOEBONIOSA-N 2 0 293.455 1.731 10 0 CDAERP C[C@@H](C[NH2+]Cc1cncs1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001374205374 973830548 /nfs/dbraw/zinc/83/05/48/973830548.db2.gz HLNOJRIONMQXBW-AAEUAGOBSA-N 2 0 296.440 1.174 10 0 CDAERP C[C@@H](C[NH2+]CC1CCCC1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001374313498 973886440 /nfs/dbraw/zinc/88/64/40/973886440.db2.gz OWKASXKLHNICJB-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP C[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)Cc1ccsc1 ZINC001418511986 973919966 /nfs/dbraw/zinc/91/99/66/973919966.db2.gz KHVMKUAIUZSUAR-ZDUSSCGKSA-N 2 0 295.452 1.638 10 0 CDAERP CC[C@@H]1CN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C[C@H](C)[NH2+]1 ZINC001418562590 973968631 /nfs/dbraw/zinc/96/86/31/973968631.db2.gz WWQPNTNLMZMVLN-BYNSBNAKSA-N 2 0 281.444 1.706 10 0 CDAERP CC(C)C[NH2+]CCCN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001498633696 974005351 /nfs/dbraw/zinc/00/53/51/974005351.db2.gz SKTZLMSRSLAIQU-UHFFFAOYSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@@H](C[NH2+]CC1CCCC1)NC(=O)C[N@H+](C)C1CCC1 ZINC001374897737 974170449 /nfs/dbraw/zinc/17/04/49/974170449.db2.gz FKNCWRIEOKIGJX-ZDUSSCGKSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H](C[NH2+]Cc1cncs1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001374927699 974182293 /nfs/dbraw/zinc/18/22/93/974182293.db2.gz ZTBKKTPXASBHLP-NSHDSACASA-N 2 0 296.440 1.079 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001499120689 974190009 /nfs/dbraw/zinc/19/00/09/974190009.db2.gz SQOMNQYREBMWQN-SSBHQGKESA-N 2 0 279.428 1.485 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]CC1CC1)C1CC1 ZINC001375277195 974311779 /nfs/dbraw/zinc/31/17/79/974311779.db2.gz KHZLVJAVSVPTLG-HZPDHXFCSA-N 2 0 293.455 1.755 10 0 CDAERP C[NH+](C)C1(C(=O)N2CCC[C@H]2C[NH2+]CCCF)CCC1 ZINC001499901516 974328598 /nfs/dbraw/zinc/32/85/98/974328598.db2.gz UHSUKDROVRELEW-ZDUSSCGKSA-N 2 0 285.407 1.411 10 0 CDAERP COCCC[NH2+]C[C@@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001499899947 974329531 /nfs/dbraw/zinc/32/95/31/974329531.db2.gz BPFNRIUMRIEZJD-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001500374475 974428433 /nfs/dbraw/zinc/42/84/33/974428433.db2.gz MWHPBMYXCKNMLK-ZFWWWQNUSA-N 2 0 287.423 1.514 10 0 CDAERP CCCC[NH2+]C[C@]1(C)CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001500396949 974431747 /nfs/dbraw/zinc/43/17/47/974431747.db2.gz KUXTUBKDIOKLQE-INIZCTEOSA-N 2 0 283.460 1.957 10 0 CDAERP CC(C)[N@@H+]1CC[C@@](C)(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001375835240 974492277 /nfs/dbraw/zinc/49/22/77/974492277.db2.gz YUFGCYFXCQOYEB-GOEBONIOSA-N 2 0 281.444 1.850 10 0 CDAERP CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001375947801 974521300 /nfs/dbraw/zinc/52/13/00/974521300.db2.gz FLEZMROIOCYIRE-ZOBUZTSGSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CCCF)C1 ZINC001501150457 974542342 /nfs/dbraw/zinc/54/23/42/974542342.db2.gz RWCDFPBQQDZJEH-KGLIPLIRSA-N 2 0 287.423 1.372 10 0 CDAERP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](CCC[C@H](C)O)C1 ZINC001376065692 974549556 /nfs/dbraw/zinc/54/95/56/974549556.db2.gz ARONKYDDFCUCQW-GJZGRUSLSA-N 2 0 299.459 1.068 10 0 CDAERP CC(C)[NH2+][C@H](CNC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001376219780 974606467 /nfs/dbraw/zinc/60/64/67/974606467.db2.gz UHFDZYDAXDYHEH-OAHLLOKOSA-N 2 0 293.455 1.755 10 0 CDAERP CCC[NH2+][C@H](C)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001376797133 974773178 /nfs/dbraw/zinc/77/31/78/974773178.db2.gz DQTQFYJIMXJMFW-DOMZBBRYSA-N 2 0 287.423 1.703 10 0 CDAERP C[C@@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC1CC1 ZINC001503290641 974819489 /nfs/dbraw/zinc/81/94/89/974819489.db2.gz MXYBGIVNLZOKTB-GXTWGEPZSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@H](F)CC[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001376985538 974839078 /nfs/dbraw/zinc/83/90/78/974839078.db2.gz ZILUNSIEQLPWPP-UONOGXRCSA-N 2 0 287.423 1.609 10 0 CDAERP CC(C)[NH2+]CC1CC(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001505537589 974902225 /nfs/dbraw/zinc/90/22/25/974902225.db2.gz FEFLOSSHMVLCLA-UHFFFAOYSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H](F)CC[NH2+]C1(C)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001377304209 974968410 /nfs/dbraw/zinc/96/84/10/974968410.db2.gz YROQRDCJGOTTOB-CYBMUJFWSA-N 2 0 287.423 1.657 10 0 CDAERP CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001506579293 975181147 /nfs/dbraw/zinc/18/11/47/975181147.db2.gz MJURJALPSGANFO-HUUCEWRRSA-N 2 0 281.444 1.709 10 0 CDAERP C[NH+](C)C1(C(=O)NCC2C[NH+](CCC(C)(C)C)C2)CCC1 ZINC001377974835 975190341 /nfs/dbraw/zinc/19/03/41/975190341.db2.gz GQECIKSNDIFDKA-UHFFFAOYSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[C@H](C(=O)NC[C@H](C)[N@H+](C)CCC1CC1)[NH+](C)C ZINC001378128826 975252304 /nfs/dbraw/zinc/25/23/04/975252304.db2.gz FIVLLTSTVKJQCC-DZGCQCFKSA-N 2 0 283.460 1.809 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC(C)C)C1)[NH+](C)C ZINC001506904208 975253981 /nfs/dbraw/zinc/25/39/81/975253981.db2.gz ZPRIKVIAEZQQIZ-MGPQQGTHSA-N 2 0 269.433 1.467 10 0 CDAERP CC(C)C[NH2+]CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001506938378 975267300 /nfs/dbraw/zinc/26/73/00/975267300.db2.gz QHMQHYSSYIBGLE-CABCVRRESA-N 2 0 283.460 1.859 10 0 CDAERP CC[N@H+](C)CCOCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001506977677 975282341 /nfs/dbraw/zinc/28/23/41/975282341.db2.gz SUWYBJSPCLWINJ-HNNXBMFYSA-N 2 0 299.459 1.335 10 0 CDAERP CCCC[NH2+][C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001506992912 975287601 /nfs/dbraw/zinc/28/76/01/975287601.db2.gz VOEDLBYHZNPARD-HUUCEWRRSA-N 2 0 283.460 1.859 10 0 CDAERP CCc1nocc1C[NH2+][C@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001507118164 975343864 /nfs/dbraw/zinc/34/38/64/975343864.db2.gz LTQXONQKKNQEQP-GFCCVEGCSA-N 2 0 296.415 1.125 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H](C)C1C[NH+](CC2CC2)C1 ZINC001378517521 975372717 /nfs/dbraw/zinc/37/27/17/975372717.db2.gz MTMLKKVGTMEEEA-SWLSCSKDSA-N 2 0 299.434 1.513 10 0 CDAERP CCC[N@@H+]1CCC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001404725245 975469252 /nfs/dbraw/zinc/46/92/52/975469252.db2.gz XBOXENMLAVPYGX-LSDHHAIUSA-N 2 0 281.444 1.851 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)CC)CC[N@@H+]1CC1CC1 ZINC001397197599 975494567 /nfs/dbraw/zinc/49/45/67/975494567.db2.gz WPFHUGUDRMTEAH-LSDHHAIUSA-N 2 0 281.444 1.707 10 0 CDAERP Cc1cncc(C[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+](C)C)c1 ZINC001378816279 975502969 /nfs/dbraw/zinc/50/29/69/975502969.db2.gz UBHXTWLCGBLFHQ-CQSZACIVSA-N 2 0 292.427 1.278 10 0 CDAERP CCC(CC)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001388646829 975532222 /nfs/dbraw/zinc/53/22/22/975532222.db2.gz LBBSFKWQGTYVHO-OAHLLOKOSA-N 2 0 283.460 1.907 10 0 CDAERP O=C(C[NH+]1CCCC1)NCC1C[NH+](CC2CCCCC2)C1 ZINC001404934931 975545865 /nfs/dbraw/zinc/54/58/65/975545865.db2.gz NSWKEUYAYCADLW-UHFFFAOYSA-N 2 0 293.455 1.711 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@H](C[NH2+]CCF)C(C)(C)C)CC1 ZINC001508003497 975574912 /nfs/dbraw/zinc/57/49/12/975574912.db2.gz LYJVDYOFUXWODH-GFCCVEGCSA-N 2 0 287.423 1.418 10 0 CDAERP CC[C@H](C(=O)N(C)[C@H](C[NH2+]CC(C)C)C1CC1)[NH+](C)C ZINC001379017334 975600753 /nfs/dbraw/zinc/60/07/53/975600753.db2.gz GMLFRLPRSXEMBP-HUUCEWRRSA-N 2 0 283.460 1.809 10 0 CDAERP CN(C(=O)CC[C@H]1CCC[N@@H+]1C)C1CC([NH2+]CCF)C1 ZINC001508116055 975615311 /nfs/dbraw/zinc/61/53/11/975615311.db2.gz VMKZYSMDYIEBRI-ROKHWSDSSA-N 2 0 285.407 1.409 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC)CC(C)(C)C1 ZINC001388844795 975616889 /nfs/dbraw/zinc/61/68/89/975616889.db2.gz XJXWFRXZAVVJHF-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCCF)[C@@H]1C)[NH+](C)C ZINC001397797669 975720603 /nfs/dbraw/zinc/72/06/03/975720603.db2.gz MZSXJVQXYQPPTK-AGIUHOORSA-N 2 0 273.396 1.265 10 0 CDAERP C[N@H+](CCCF)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001397807190 975728841 /nfs/dbraw/zinc/72/88/41/975728841.db2.gz PCLACLKVOZVCHR-CABCVRRESA-N 2 0 299.434 1.611 10 0 CDAERP Cc1nocc1C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001401633549 975750996 /nfs/dbraw/zinc/75/09/96/975750996.db2.gz XDTPNKRSEFMWPI-BXUZGUMPSA-N 2 0 294.399 1.062 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1ccccc1 ZINC001379594499 975941713 /nfs/dbraw/zinc/94/17/13/975941713.db2.gz BDKNVFJIEKXHMW-AWEZNQCLSA-N 2 0 277.412 1.621 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]C/C=C\Cl)C1CC1 ZINC001389673496 975949442 /nfs/dbraw/zinc/94/94/42/975949442.db2.gz XDBRUNGRDJGQMB-AKMKWWRZSA-N 2 0 299.846 1.708 10 0 CDAERP CC[N@@H+]1CC[C@@]2(NC(=O)CC[NH+]3CCCCC3)CCC[C@H]12 ZINC001379627190 975967607 /nfs/dbraw/zinc/96/76/07/975967607.db2.gz ZFKBBDBHZYZYGG-RDJZCZTQSA-N 2 0 293.455 1.996 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001398555395 976036840 /nfs/dbraw/zinc/03/68/40/976036840.db2.gz IJFXLOWVONPNOZ-AVGNSLFASA-N 2 0 271.380 1.067 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001402130355 976136152 /nfs/dbraw/zinc/13/61/52/976136152.db2.gz JJMQZMHMJVWWFK-INIZCTEOSA-N 2 0 283.460 1.955 10 0 CDAERP CC[NH2+]C1(CNC(=O)CC[NH+]2CCCCC2)CCOCC1 ZINC001402237798 976192727 /nfs/dbraw/zinc/19/27/27/976192727.db2.gz JOQXSZWARSDQIG-UHFFFAOYSA-N 2 0 297.443 1.137 10 0 CDAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CCC1CC1 ZINC001398927895 976246726 /nfs/dbraw/zinc/24/67/26/976246726.db2.gz SJLHJOUZMIBXKU-UKRRQHHQSA-N 2 0 281.444 1.754 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC2([NH2+]CC3CC3)CC2)C1 ZINC001380158696 976271689 /nfs/dbraw/zinc/27/16/89/976271689.db2.gz SWCNTXPXQOFDAN-CABCVRRESA-N 2 0 293.455 1.755 10 0 CDAERP CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1CCCC1)C2 ZINC001402417662 976274533 /nfs/dbraw/zinc/27/45/33/976274533.db2.gz LBXWYJRKOKKPNB-MUJYYYPQSA-N 2 0 293.455 1.850 10 0 CDAERP C[C@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH2+]CC1CC1 ZINC001399042462 976304920 /nfs/dbraw/zinc/30/49/20/976304920.db2.gz WSLAROLXICCZSV-WBMJQRKESA-N 2 0 299.434 1.703 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC ZINC001402481870 976306858 /nfs/dbraw/zinc/30/68/58/976306858.db2.gz UNUWACYWLULGQU-HUUCEWRRSA-N 2 0 281.444 1.804 10 0 CDAERP C[C@@H](C[N@H+](C)CCO)NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001406633411 976318235 /nfs/dbraw/zinc/31/82/35/976318235.db2.gz CCZBVHPMLPUMDK-ZDUSSCGKSA-N 2 0 299.459 1.068 10 0 CDAERP C[C@@H](C[N@H+](C)CCCF)NC(=O)CC[C@H]1CCC[NH+]1C ZINC001406641818 976323725 /nfs/dbraw/zinc/32/37/25/976323725.db2.gz YTNPTBRQDGMERZ-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1cccc(F)c1 ZINC001390536466 976357632 /nfs/dbraw/zinc/35/76/32/976357632.db2.gz RFYPUBOOYYPUDH-ZDUSSCGKSA-N 2 0 295.402 1.760 10 0 CDAERP CCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001390624415 976398461 /nfs/dbraw/zinc/39/84/61/976398461.db2.gz MGEIDRBFJSXOKO-CABCVRRESA-N 2 0 281.444 1.804 10 0 CDAERP C[C@@]1(C[NH2+]CC2CCC2)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001380415850 976412600 /nfs/dbraw/zinc/41/26/00/976412600.db2.gz RVULBINZZYISIL-KRWDZBQOSA-N 2 0 293.455 1.711 10 0 CDAERP CC1([NH2+]CCF)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001402779468 976478213 /nfs/dbraw/zinc/47/82/13/976478213.db2.gz BWRASWKUTTZPCA-CQSZACIVSA-N 2 0 297.418 1.268 10 0 CDAERP CC[C@H](F)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001402785162 976480349 /nfs/dbraw/zinc/48/03/49/976480349.db2.gz YGOYJRZZVNNZJD-KGLIPLIRSA-N 2 0 299.434 1.657 10 0 CDAERP CO[C@H](C)C[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001406939656 976487280 /nfs/dbraw/zinc/48/72/80/976487280.db2.gz USCSGDHMCYMONB-ZIAGYGMSSA-N 2 0 297.443 1.134 10 0 CDAERP C[NH+](C)CCCC(=O)N1CC2(C1)CC[NH+](CCCF)CC2 ZINC001380796176 976552180 /nfs/dbraw/zinc/55/21/80/976552180.db2.gz NOXNSJQZBYQURS-UHFFFAOYSA-N 2 0 299.434 1.612 10 0 CDAERP CC1CC(C[N@H+](C)CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001390842643 976555404 /nfs/dbraw/zinc/55/54/04/976555404.db2.gz BAOADKTYECYPNC-UHFFFAOYSA-N 2 0 279.428 1.176 10 0 CDAERP C[NH+](C)CCCC(=O)NCC[N@H+](C)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001399565378 976570611 /nfs/dbraw/zinc/57/06/11/976570611.db2.gz ALTSTEUZMGPGEX-OWCLPIDISA-N 2 0 295.471 1.812 10 0 CDAERP CO[C@@H](C)C[NH2+]C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001380840222 976571652 /nfs/dbraw/zinc/57/16/52/976571652.db2.gz LGCGAXNQKAOGRP-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@@H](C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001380852785 976574078 /nfs/dbraw/zinc/57/40/78/976574078.db2.gz OFGJSOROVCWUND-KGLIPLIRSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@@H](C(=O)N1CCC(C)([NH2+]CCO)CC1)[NH+](CC)CC ZINC001381128752 976685286 /nfs/dbraw/zinc/68/52/86/976685286.db2.gz SUKSPWJBZUKHFL-AWEZNQCLSA-N 2 0 299.459 1.070 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CC2CC2)C1 ZINC001407540060 976688859 /nfs/dbraw/zinc/68/88/59/976688859.db2.gz RLFWTSWNXZUVAL-HIFRSBDPSA-N 2 0 281.444 1.421 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]CC2CC2)C1 ZINC001407540064 976689452 /nfs/dbraw/zinc/68/94/52/976689452.db2.gz RLFWTSWNXZUVAL-ZFWWWQNUSA-N 2 0 281.444 1.421 10 0 CDAERP CC[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001407535330 976691562 /nfs/dbraw/zinc/69/15/62/976691562.db2.gz LYTJGNJLOUQTEJ-GJZGRUSLSA-N 2 0 281.444 1.566 10 0 CDAERP CC[C@H](C(=O)NCC[C@@H]1CC[N@H+](CC)C1)[NH+](CC)CC ZINC001391320532 976810711 /nfs/dbraw/zinc/81/07/11/976810711.db2.gz BIMKHXVMYVJMNX-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@H](C[NH2+]Cc2cscn2)C1 ZINC001403245874 976833198 /nfs/dbraw/zinc/83/31/98/976833198.db2.gz KLCBMTBFSAIVCR-GFCCVEGCSA-N 2 0 296.440 1.033 10 0 CDAERP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC1CCC1 ZINC001403376290 976922287 /nfs/dbraw/zinc/92/22/87/976922287.db2.gz PLOYXXGLLSMSHU-UMVBOHGHSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@@H](F)CC[N@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001400227231 976938443 /nfs/dbraw/zinc/93/84/43/976938443.db2.gz FFUUPVIBEPBOBA-HUUCEWRRSA-N 2 0 299.434 1.611 10 0 CDAERP CC(C)[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC1CC1 ZINC001381996994 977113676 /nfs/dbraw/zinc/11/36/76/977113676.db2.gz WHRDSFKZSZMUHR-HUUCEWRRSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C[NH2+]CC1CCC1 ZINC001391888758 977135663 /nfs/dbraw/zinc/13/56/63/977135663.db2.gz QQFSRJIXLSOTOB-CJNGLKHVSA-N 2 0 293.455 1.470 10 0 CDAERP C[C@@H]1C[C@H](C[N@H+](C)CCNC(=O)CCC[NH+](C)C)CCO1 ZINC001403672436 977137493 /nfs/dbraw/zinc/13/74/93/977137493.db2.gz OXRVUXXGSKLOCP-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP CCN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](C(C)C)C1 ZINC001400756652 977173718 /nfs/dbraw/zinc/17/37/18/977173718.db2.gz BVQRATHKEAEMPC-GJZGRUSLSA-N 2 0 281.444 1.659 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH2+]CCF)CCCC2)C1 ZINC001392023634 977180209 /nfs/dbraw/zinc/18/02/09/977180209.db2.gz OSMIWWJBBNUDDB-ZDUSSCGKSA-N 2 0 285.407 1.316 10 0 CDAERP O=C(NCC1([NH2+]CCF)CCCC1)C12CC[NH+](CC1)C2 ZINC001392022585 977184665 /nfs/dbraw/zinc/18/46/65/977184665.db2.gz MKPHEROWECFHSP-UHFFFAOYSA-N 2 0 283.391 1.070 10 0 CDAERP CC(C)[NH+]1CCC([C@H](C)NC(=O)C[NH+]2CCCC2)CC1 ZINC001382563731 977307392 /nfs/dbraw/zinc/30/73/92/977307392.db2.gz IRNWQFMMJVGAJJ-AWEZNQCLSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]1CC[N@H+](C/C=C/Cl)C1)[NH+](C)C ZINC001404080006 977330611 /nfs/dbraw/zinc/33/06/11/977330611.db2.gz RPJQPCDYMUCTAJ-JHSWMASBSA-N 2 0 287.835 1.517 10 0 CDAERP Cc1nc[nH]c1CC(=O)NC[C@@H]1CC[N@@H+]1CC1CCCC1 ZINC001392872128 977633185 /nfs/dbraw/zinc/63/31/85/977633185.db2.gz FTZNUCJXWAILSQ-AWEZNQCLSA-N 2 0 290.411 1.641 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCN1CCC(F)(F)F ZINC001392877577 977635723 /nfs/dbraw/zinc/63/57/23/977635723.db2.gz OHMFJBXSAOXGJD-LLVKDONJSA-N 2 0 295.349 1.470 10 0 CDAERP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CCCC1 ZINC001393826174 977929316 /nfs/dbraw/zinc/92/93/16/977929316.db2.gz BMFPZOSFUINMGQ-DZGCQCFKSA-N 2 0 281.444 1.613 10 0 CDAERP CCCC[NH2+]CC1CC(NC(=O)CC[NH+](C)C)C1 ZINC001674578901 1173964397 /nfs/dbraw/zinc/96/43/97/1173964397.db2.gz ODFBFVZDINCMHU-UHFFFAOYSA-N 2 0 255.406 1.223 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2CC[NH+](C)C2)C1 ZINC001597024272 1174254014 /nfs/dbraw/zinc/25/40/14/1174254014.db2.gz FGEBAADIIRXKIK-UONOGXRCSA-N 2 0 267.417 1.175 10 0 CDAERP CCCC[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001570611099 1170210289 /nfs/dbraw/zinc/21/02/89/1170210289.db2.gz OIEBJWNWBKFESL-CHWSQXEVSA-N 2 0 269.433 1.754 10 0 CDAERP CCC[NH2+][C@H](C)[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001570636490 1170218938 /nfs/dbraw/zinc/21/89/38/1170218938.db2.gz JOCQAPRXRQFWFA-CHWSQXEVSA-N 2 0 269.433 1.611 10 0 CDAERP CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001571590901 1170484860 /nfs/dbraw/zinc/48/48/60/1170484860.db2.gz CHUUUNRQPDKHFZ-LSDHHAIUSA-N 2 0 299.459 1.068 10 0 CDAERP CC[NH+]1CCC(CNC(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000586853157 342472931 /nfs/dbraw/zinc/47/29/31/342472931.db2.gz QODZRPNMJOBCIC-CQSZACIVSA-N 2 0 282.432 1.112 10 0 CDAERP C[NH2+]Cc1ccccc1C[NH2+]Cc1cc(C(N)=O)cs1 ZINC000650719172 398159301 /nfs/dbraw/zinc/15/93/01/398159301.db2.gz GRTYODUZHOZPOH-UHFFFAOYSA-N 2 0 289.404 1.856 10 0 CDAERP C[C@@H](CC(=O)N1CCCCCC1)[NH2+]CCC1(C[NH3+])CC1 ZINC000650714090 398156927 /nfs/dbraw/zinc/15/69/27/398156927.db2.gz QZDWGUUDQPFYST-AWEZNQCLSA-N 2 0 281.444 1.886 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCC2CC[NH2+]CC2)[C@@H]2CCC[C@@H]21 ZINC000650761993 398183705 /nfs/dbraw/zinc/18/37/05/398183705.db2.gz PKEXEBROLCLJDE-JYJNAYRXSA-N 3 0 265.445 1.839 10 0 CDAERP CN(CC[NH+]1CCCCC1)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000650725257 398164754 /nfs/dbraw/zinc/16/47/54/398164754.db2.gz XCCCDOHOOASPKY-AWEZNQCLSA-N 2 0 282.432 1.208 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000575122283 361757836 /nfs/dbraw/zinc/75/78/36/361757836.db2.gz GJYSNQPCTDXDJC-VXGBXAGGSA-N 2 0 289.370 1.364 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCOC[C@H]2CCCO2)[C@@H](C)C1 ZINC000533395185 282118453 /nfs/dbraw/zinc/11/84/53/282118453.db2.gz XBKILQBYBOZVLY-XHSDSOJGSA-N 2 0 284.444 1.844 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC1CCN(c2ccccn2)CC1 ZINC000629389882 361894727 /nfs/dbraw/zinc/89/47/27/361894727.db2.gz DOTMGRHQIIETBK-LSDHHAIUSA-N 3 0 274.412 1.781 10 0 CDAERP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000263140658 361925247 /nfs/dbraw/zinc/92/52/47/361925247.db2.gz CGUQFCYFZZYAIX-QZWWFDLISA-N 2 0 274.408 1.801 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1ccnc2ccccc12 ZINC000629399352 361935759 /nfs/dbraw/zinc/93/57/59/361935759.db2.gz QQTYJHVKCIGVJU-UHFFFAOYSA-N 2 0 259.353 1.690 10 0 CDAERP CC(C)c1cnc(C[NH2+]CCOCCC[NH3+])s1 ZINC000629400718 361939307 /nfs/dbraw/zinc/93/93/07/361939307.db2.gz JWZYYVFFKIBPBL-UHFFFAOYSA-N 2 0 257.403 1.722 10 0 CDAERP CC(C)(C)OC(=O)NCC[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000616614422 361964375 /nfs/dbraw/zinc/96/43/75/361964375.db2.gz FFZZWLHZJCCYPJ-GFCCVEGCSA-N 2 0 271.405 1.714 10 0 CDAERP C[NH2+]CCOCC[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000629404857 361946635 /nfs/dbraw/zinc/94/66/35/361946635.db2.gz RQDRMKURAIHKCL-DOTOQJQBSA-N 3 0 297.487 1.855 10 0 CDAERP C/C=C/C[NH2+][C@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000600709534 342243491 /nfs/dbraw/zinc/24/34/91/342243491.db2.gz KTIDBJSRIVZWCJ-FVOPLDGLSA-N 2 0 254.374 1.474 10 0 CDAERP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000353513867 539098244 /nfs/dbraw/zinc/09/82/44/539098244.db2.gz FRNVGHXKUWXXDW-PMPSAXMXSA-N 2 0 267.461 1.894 10 0 CDAERP C[NH+](C)C1(CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)CCCC1 ZINC000125649578 187194598 /nfs/dbraw/zinc/19/45/98/187194598.db2.gz YYHLVYGWAJTRSB-NEPJUHHUSA-N 2 0 253.390 1.104 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](N[C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000422835785 282195011 /nfs/dbraw/zinc/19/50/11/282195011.db2.gz JAZZSPWNLCAIBI-ZJIFWQFVSA-N 2 0 281.444 1.216 10 0 CDAERP CSC[C@H](CCO)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000594919897 342986847 /nfs/dbraw/zinc/98/68/47/342986847.db2.gz CZNXLSFCLJVZTM-LBPRGKRZSA-N 2 0 292.408 1.471 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000594923464 342988227 /nfs/dbraw/zinc/98/82/27/342988227.db2.gz YIOFOOZORBTOOO-CYZMBNFOSA-N 2 0 254.374 1.115 10 0 CDAERP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H](C)CC[NH3+])CC2 ZINC000640350213 362048330 /nfs/dbraw/zinc/04/83/30/362048330.db2.gz GMXYQOSSWJNNCU-MCIONIFRSA-N 2 0 282.432 1.380 10 0 CDAERP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2oc(C)nc2C)CC1 ZINC000628213186 362106532 /nfs/dbraw/zinc/10/65/32/362106532.db2.gz BAXOKFYRQWKEOW-ZDUSSCGKSA-N 2 0 294.443 1.655 10 0 CDAERP CC(C)[C@H](C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1)[C@H](C)[NH3+] ZINC000645108357 362121906 /nfs/dbraw/zinc/12/19/06/362121906.db2.gz XJAWALBRAJZCLI-XQLPTFJDSA-N 2 0 281.444 1.596 10 0 CDAERP Nc1nc(NC[C@H]2CC[N@@H+](C3CC3)C2)c2c([nH+]1)CCCC2 ZINC000645117851 362126246 /nfs/dbraw/zinc/12/62/46/362126246.db2.gz HVFZWNSAJOMWFP-LLVKDONJSA-N 2 0 287.411 1.086 10 0 CDAERP Cc1ccc(C[NH+]2CCC3(C[N@H+](C)C[C@@H]3CO)CC2)o1 ZINC000169791315 362139997 /nfs/dbraw/zinc/13/99/97/362139997.db2.gz CZDWBMUINNOELW-CQSZACIVSA-N 2 0 278.396 1.724 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000629530923 362160453 /nfs/dbraw/zinc/16/04/53/362160453.db2.gz VEXFNRDTRLFXRZ-LBPRGKRZSA-N 2 0 282.432 1.833 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000629530804 362160590 /nfs/dbraw/zinc/16/05/90/362160590.db2.gz RSIAKLFXAIFRQA-CYBMUJFWSA-N 2 0 293.411 1.275 10 0 CDAERP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000629525003 362147303 /nfs/dbraw/zinc/14/73/03/362147303.db2.gz XGXSOROSDRPTPI-CYDGBPFRSA-N 2 0 253.390 1.151 10 0 CDAERP Nc1ncccc1OCCOCCOc1cccnc1N ZINC000032106671 343399266 /nfs/dbraw/zinc/39/92/66/343399266.db2.gz MQSGCKNHHZOMOO-UHFFFAOYSA-N 2 0 290.323 1.115 10 0 CDAERP C[C@@H]1C[C@H](Nc2nc(N)[nH+]c3c2CCCC3)CC[N@@H+]1C ZINC000645180511 362225067 /nfs/dbraw/zinc/22/50/67/362225067.db2.gz CZAKTLNRVKGGJD-GHMZBOCLSA-N 2 0 275.400 1.084 10 0 CDAERP C[C@H]1C[C@@H](Nc2nc(N)[nH+]c3c2CCCC3)CC[N@@H+]1C ZINC000645180515 362225163 /nfs/dbraw/zinc/22/51/63/362225163.db2.gz CZAKTLNRVKGGJD-QWRGUYRKSA-N 2 0 275.400 1.084 10 0 CDAERP CSC1(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CCC1 ZINC000597237391 343491052 /nfs/dbraw/zinc/49/10/52/343491052.db2.gz ZNGARMHEHKOMFD-CQSZACIVSA-N 2 0 284.469 1.803 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000054306402 343796991 /nfs/dbraw/zinc/79/69/91/343796991.db2.gz WAFNDXOUVJGSPZ-AWEZNQCLSA-N 2 0 281.444 1.757 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCSCCCO)CC1(C)C ZINC000598963196 343930381 /nfs/dbraw/zinc/93/03/81/343930381.db2.gz LMNODFCMXDPFCN-LBPRGKRZSA-N 2 0 260.447 1.564 10 0 CDAERP CC(C)(C)c1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)s1 ZINC000263229781 362357791 /nfs/dbraw/zinc/35/77/91/362357791.db2.gz NFFQNUJCMLGRRJ-JQWIXIFHSA-N 2 0 268.426 1.716 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@H]1CCC[NH2+]1 ZINC000257704675 344382258 /nfs/dbraw/zinc/38/22/58/344382258.db2.gz PDOKAKIDKFKPNJ-CHWSQXEVSA-N 2 0 253.390 1.119 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000261567852 344683604 /nfs/dbraw/zinc/68/36/04/344683604.db2.gz ITHVPLLVCOOTHT-RWMBFGLXSA-N 2 0 255.406 1.350 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000262276776 344697199 /nfs/dbraw/zinc/69/71/99/344697199.db2.gz JRJXYTPZSWXXLK-ZNMIVQPWSA-N 2 0 281.444 1.694 10 0 CDAERP CN(C(=O)C[NH2+]C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000390820065 344885694 /nfs/dbraw/zinc/88/56/94/344885694.db2.gz VMHBOBOEOHDEKZ-INIZCTEOSA-N 2 0 287.407 1.471 10 0 CDAERP CC(C)[N@@H+](C)C[C@@H](C)Nc1nc(N)[nH+]c2c1CCCC2 ZINC000645247805 362576849 /nfs/dbraw/zinc/57/68/49/362576849.db2.gz QHWXQIJSOZUDSV-LLVKDONJSA-N 2 0 277.416 1.330 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CC2([NH+](C)C)CCC2)C1 ZINC000553222640 290104611 /nfs/dbraw/zinc/10/46/11/290104611.db2.gz CVOHEUZFZSOHDW-CYBMUJFWSA-N 2 0 267.417 1.271 10 0 CDAERP C[N@@H+]1CC[C@@H](NC[C@H]2CC[NH+](C3CC3)C2)CC1(C)C ZINC000623356527 346083883 /nfs/dbraw/zinc/08/38/83/346083883.db2.gz VKVOAUVCSYWJQC-ZIAGYGMSSA-N 2 0 265.445 1.933 10 0 CDAERP CCCNC(=O)CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623371237 346106825 /nfs/dbraw/zinc/10/68/25/346106825.db2.gz WORBPUHDYHCWGI-LBPRGKRZSA-N 2 0 255.406 1.365 10 0 CDAERP CC[NH2+][C@](C)(CO)CCC[N@H+](CCOC)C1CC1 ZINC000085242796 178984957 /nfs/dbraw/zinc/98/49/57/178984957.db2.gz QVHDPPZWAJGIGS-AWEZNQCLSA-N 2 0 258.406 1.238 10 0 CDAERP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)[C@H](C)N1CCOCC1 ZINC000623406384 346209334 /nfs/dbraw/zinc/20/93/34/346209334.db2.gz WQCROMUKJRHDAH-SOUVJXGZSA-N 2 0 283.460 1.558 10 0 CDAERP C[C@](O)(C[NH3+])CCN1CCC([NH+]2CCCCC2)CC1 ZINC000085300541 179010049 /nfs/dbraw/zinc/01/00/49/179010049.db2.gz ABQNQULECANXRR-OAHLLOKOSA-N 2 0 269.433 1.037 10 0 CDAERP CC(C)[C@@H](CNC(=O)[C@H]1CCCC[C@@H]1[NH3+])[NH+](C)C ZINC000085370906 179041147 /nfs/dbraw/zinc/04/11/47/179041147.db2.gz GFRWBFMDQAKMRV-RWMBFGLXSA-N 2 0 255.406 1.206 10 0 CDAERP CC(C)C[C@H](CNC(=O)[C@H]1CCCC[C@@H]1[NH3+])[NH+](C)C ZINC000085371125 179041361 /nfs/dbraw/zinc/04/13/61/179041361.db2.gz FSXBPCKJWSPXGV-RDBSUJKOSA-N 2 0 269.433 1.596 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)CC[NH2+]C1CC1 ZINC000037612475 346361548 /nfs/dbraw/zinc/36/15/48/346361548.db2.gz XEEVLKPTBRGTSB-CYBMUJFWSA-N 2 0 255.406 1.221 10 0 CDAERP C[NH+](C)C1(CN[C@@H]2CC[N@H+](C)C(C)(C)C2)CCOCC1 ZINC000623419544 346379990 /nfs/dbraw/zinc/37/99/90/346379990.db2.gz NENPJYMWQXVRAL-CQSZACIVSA-N 2 0 283.460 1.560 10 0 CDAERP CC(C)[NH2+]CCC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000037826188 346368631 /nfs/dbraw/zinc/36/86/31/346368631.db2.gz UVTKENNEHXCQHF-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CCCc1nc2c(n1C[C@@H]1CC[N@H+](C)C1)CC[NH2+]C2 ZINC000085570454 179096508 /nfs/dbraw/zinc/09/65/08/179096508.db2.gz FKHLQJJIQNVARH-GFCCVEGCSA-N 2 0 262.401 1.433 10 0 CDAERP C[N@@H+]1CC[C@H](n2c3c(nc2C(C)(C)C)C[NH2+]CC3)C1 ZINC000085573222 179098588 /nfs/dbraw/zinc/09/85/88/179098588.db2.gz DDUNLHATPQXJKS-NSHDSACASA-N 2 0 262.401 1.703 10 0 CDAERP CN1CC[NH2+]C[C@@H]1c1noc([C@H]2CCCCCC[C@H]2[NH3+])n1 ZINC000263304157 362751624 /nfs/dbraw/zinc/75/16/24/362751624.db2.gz XMWZGMBWABDBTE-YNEHKIRRSA-N 2 0 293.415 1.411 10 0 CDAERP CC1(C)[C@H]([NH2+]CCC[NH+]2CCCC2)[C@@H]2CCO[C@@H]21 ZINC000085630471 179107577 /nfs/dbraw/zinc/10/75/77/179107577.db2.gz PUNHHFRGLOOJKB-MJBXVCDLSA-N 2 0 252.402 1.875 10 0 CDAERP C1CCC2(CC1)CN([C@@H]1C[NH+]3CCC1CC3)CC[NH2+]2 ZINC000086124868 179235833 /nfs/dbraw/zinc/23/58/33/179235833.db2.gz QRKXBLLHNTYEJL-OAHLLOKOSA-N 2 0 263.429 1.689 10 0 CDAERP CC[C@@H](C)[C@H]1CN(CC2CC[NH+](C)CC2)CC[NH2+]1 ZINC000086145638 179237821 /nfs/dbraw/zinc/23/78/21/179237821.db2.gz QIICBZAUJVPVJC-UKRRQHHQSA-N 2 0 253.434 1.648 10 0 CDAERP CC(C)[C@H]1C[NH2+]CCN1C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000086177616 179246691 /nfs/dbraw/zinc/24/66/91/179246691.db2.gz SFGPTEXFLDRIPS-HUUCEWRRSA-N 2 0 253.434 1.647 10 0 CDAERP C[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223096 179250289 /nfs/dbraw/zinc/25/02/89/179250289.db2.gz MPUIKUPRGZPURD-UMVBOHGHSA-N 2 0 251.418 1.401 10 0 CDAERP CC(C)[C@H]1C[NH2+][C@@H](C2CC2)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086223949 179253059 /nfs/dbraw/zinc/25/30/59/179253059.db2.gz XPMAGWLNCNZVSU-BZUAXINKSA-N 2 0 265.445 1.789 10 0 CDAERP CCNC(=O)CN1C[C@@H]2C[N@H+](C)[C@H](c3ccccc3)[C@@H]2C1 ZINC000075830330 347601821 /nfs/dbraw/zinc/60/18/21/347601821.db2.gz BXXHIUKYTMFACF-ZMSDIMECSA-N 2 0 287.407 1.357 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(CC(N)=O)cc2)CC1(C)C ZINC000623527458 347616427 /nfs/dbraw/zinc/61/64/27/347616427.db2.gz UPNUFPVDWKONTI-OAHLLOKOSA-N 2 0 289.423 1.677 10 0 CDAERP C[C@H](Cc1cnn(C)c1)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623541005 347622890 /nfs/dbraw/zinc/62/28/90/347622890.db2.gz QBDBQMAFDKCWOA-TZMCWYRMSA-N 2 0 264.417 1.814 10 0 CDAERP CCCN(CC[NH+]1CCCCC1)C(=O)NC/C=C\C[NH3+] ZINC000641867837 365952427 /nfs/dbraw/zinc/95/24/27/365952427.db2.gz WAUDJOWOSQUVSK-PLNGDYQASA-N 2 0 282.432 1.409 10 0 CDAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000614963337 348286724 /nfs/dbraw/zinc/28/67/24/348286724.db2.gz FNJAHJPWPPJEGT-GJZGRUSLSA-N 2 0 293.455 1.804 10 0 CDAERP CC[NH2+]Cc1cnc(N(C)CC[NH+](C)C)c(Cl)c1 ZINC000104193592 185924507 /nfs/dbraw/zinc/92/45/07/185924507.db2.gz PHXUWWPHLGSIPR-UHFFFAOYSA-N 2 0 270.808 1.842 10 0 CDAERP NC(=O)[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000623662246 349392414 /nfs/dbraw/zinc/39/24/14/349392414.db2.gz TVPBMDOSAHNCSO-MQMHXKEQSA-N 2 0 279.428 1.637 10 0 CDAERP CC(C)NC(=O)CC[NH+]1CCC(C[NH2+]C(C)C)CC1 ZINC000104427839 185998554 /nfs/dbraw/zinc/99/85/54/185998554.db2.gz SJCLEHWMTQIFBI-UHFFFAOYSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)n1cncc1C[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000424143838 535105762 /nfs/dbraw/zinc/10/57/62/535105762.db2.gz GMOJWOAAUMMVTM-AWEZNQCLSA-N 2 0 279.432 1.190 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1c2ccccc2C(=O)N1C ZINC000629536772 362951126 /nfs/dbraw/zinc/95/11/26/362951126.db2.gz IWPFXMWWXNKHRS-SWLSCSKDSA-N 2 0 291.395 1.157 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)[C@H](C)Cc1c[nH]cn1 ZINC000620620349 350289395 /nfs/dbraw/zinc/28/93/95/350289395.db2.gz FKZTUMJAXTYEPD-GFCCVEGCSA-N 2 0 280.416 1.825 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)CC1CC[NH+](C)CC1 ZINC000620622648 350292288 /nfs/dbraw/zinc/29/22/88/350292288.db2.gz YXPAXZKIQWOAEF-UHFFFAOYSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H](C)[NH2+]1 ZINC000620903264 350373756 /nfs/dbraw/zinc/37/37/56/350373756.db2.gz KUHYVVJUTLWXOG-QWHCGFSZSA-N 2 0 255.406 1.317 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000629541324 362964768 /nfs/dbraw/zinc/96/47/68/362964768.db2.gz YIDBHXGCNXBDBT-RBSFLKMASA-N 2 0 270.417 1.537 10 0 CDAERP COc1ccc([C@H](N[C@@H]2CC[NH2+][C@H]2C)[C@@H]2CCC[NH2+]2)cc1 ZINC000629548354 362976498 /nfs/dbraw/zinc/97/64/98/362976498.db2.gz ZBGAHOYAOHSGFM-IEAZIUSSSA-N 2 0 289.423 1.828 10 0 CDAERP COc1ccc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cn1 ZINC000621774933 350771395 /nfs/dbraw/zinc/77/13/95/350771395.db2.gz ARKQXLPEIXMDDA-ZBFHGGJFSA-N 2 0 291.395 1.418 10 0 CDAERP COC[C@H](C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)OC ZINC000629564095 363014203 /nfs/dbraw/zinc/01/42/03/363014203.db2.gz RLPIFKGSDQRRMK-GARJFASQSA-N 2 0 284.322 1.107 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)CCOc1ccc(F)cc1 ZINC000629567476 363014809 /nfs/dbraw/zinc/01/48/09/363014809.db2.gz OSUPSRPHPMJYHV-UHFFFAOYSA-N 2 0 270.348 1.372 10 0 CDAERP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CCO1 ZINC000629576347 363034157 /nfs/dbraw/zinc/03/41/57/363034157.db2.gz TYOXNBKKYUOUDI-KKUMJFAQSA-N 2 0 284.444 1.626 10 0 CDAERP [NH3+]C[C@@H]1CCCN(CCC2CC[NH2+]CC2)[C@@H]1C(F)(F)F ZINC000629582040 363046578 /nfs/dbraw/zinc/04/65/78/363046578.db2.gz MHZOGXYRQXKHQR-STQMWFEESA-N 2 0 293.377 1.978 10 0 CDAERP [NH3+]C[C@@H]1CCCN(CC2CC[NH2+]CC2)[C@@H]1C(F)(F)F ZINC000629582343 363046964 /nfs/dbraw/zinc/04/69/64/363046964.db2.gz RLJAVIJXKJHCEQ-RYUDHWBXSA-N 2 0 279.350 1.588 10 0 CDAERP FCCC[NH+]1CCN(c2cc(-n3ccnc3)ncn2)CC1 ZINC000624333509 351551074 /nfs/dbraw/zinc/55/10/74/351551074.db2.gz RFZPZDLTLRYEHR-UHFFFAOYSA-N 2 0 290.346 1.144 10 0 CDAERP CCC([NH3+])(CC)CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000418433002 535187849 /nfs/dbraw/zinc/18/78/49/535187849.db2.gz BKKJAVXQYQOVLC-CYBMUJFWSA-N 2 0 280.416 1.160 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1ccc2cnccc2c1 ZINC000629652732 363251705 /nfs/dbraw/zinc/25/17/05/363251705.db2.gz DOHHOIKTMFLIFE-UHFFFAOYSA-N 2 0 273.380 1.903 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)CCCc1ccc2c(c1)CCO2 ZINC000629653156 363253157 /nfs/dbraw/zinc/25/31/57/363253157.db2.gz GLNWRGICZKRYIS-UHFFFAOYSA-N 2 0 292.423 1.722 10 0 CDAERP COC1(C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CCCC1 ZINC000629670186 363308519 /nfs/dbraw/zinc/30/85/19/363308519.db2.gz YZZAETCVPDAQDV-OKILXGFUSA-N 2 0 252.402 1.877 10 0 CDAERP CC[C@H]1CC[C@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CC1 ZINC000580315466 366164905 /nfs/dbraw/zinc/16/49/05/366164905.db2.gz AJRBPTTVGUUKIR-BZUAXINKSA-N 2 0 283.460 1.153 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CC[NH2+]1 ZINC000369091537 291036123 /nfs/dbraw/zinc/03/61/23/291036123.db2.gz JCWQHMSXAAEFQY-QEJZJMRPSA-N 2 0 279.428 1.365 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000352411462 363400844 /nfs/dbraw/zinc/40/08/44/363400844.db2.gz WPWHBKZWQXLVRP-TZMCWYRMSA-N 2 0 267.417 1.460 10 0 CDAERP CC(C)([NH3+])c1cc(C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)on1 ZINC000634764450 358499408 /nfs/dbraw/zinc/49/94/08/358499408.db2.gz TXEOFMYJFIOSGW-JTQLQIEISA-N 2 0 294.399 1.376 10 0 CDAERP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H]1CCCC[NH2+]C1 ZINC000643545403 356001791 /nfs/dbraw/zinc/00/17/91/356001791.db2.gz LVUCNTOTAKSQHR-JSGCOSHPSA-N 2 0 262.401 1.641 10 0 CDAERP C[N@@H+]1CC[C@H](NCC[NH+]2CCCCC2)[C@@H]2CCC[C@H]21 ZINC000367539065 283136431 /nfs/dbraw/zinc/13/64/31/283136431.db2.gz WCUUPMBBVQMGHC-HRCADAONSA-N 2 0 265.445 1.935 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH+](C)C)C1(C)C)[NH+](C)C ZINC000636097940 363516336 /nfs/dbraw/zinc/51/63/36/363516336.db2.gz MJHGZRRSOOJKMP-GRYCIOLGSA-N 2 0 255.406 1.172 10 0 CDAERP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000336414500 363523668 /nfs/dbraw/zinc/52/36/68/363523668.db2.gz HSJJXPZCFKGPEQ-INIZCTEOSA-N 2 0 299.418 1.341 10 0 CDAERP C[C@H](CC[NH3+])[NH2+]CCCCCCCC[NH2+][C@H](C)CC[NH3+] ZINC000013650052 356687522 /nfs/dbraw/zinc/68/75/22/356687522.db2.gz JEUQMNBOOMUMGW-HZPDHXFCSA-N 4 0 286.508 1.981 10 0 CDAERP CN(C)[C@@H](C[NH2+]C1CCC([NH3+])CC1)c1ccco1 ZINC000094074754 147077985 /nfs/dbraw/zinc/07/79/85/147077985.db2.gz PDZBAMPTOAXDHZ-BPCQOVAHSA-N 2 0 251.374 1.742 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2C[C@H](C)[NH+](CC)C[C@H]2C)CC[N@@H+]1C ZINC000632216838 357496507 /nfs/dbraw/zinc/49/65/07/357496507.db2.gz NUKQDYFQVWDNOH-LJISPDSOSA-N 2 0 281.444 1.658 10 0 CDAERP CCC[NH+]1CCC([N@H+](C)C[C@@H](OC)[C@H]2CCOC2)CC1 ZINC000659983950 412660459 /nfs/dbraw/zinc/66/04/59/412660459.db2.gz YWKNZVPWSWSIAQ-GOEBONIOSA-N 2 0 284.444 1.844 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000581199668 357879327 /nfs/dbraw/zinc/87/93/27/357879327.db2.gz KJTSCGQTFHCZAD-TZMCWYRMSA-N 2 0 265.401 1.023 10 0 CDAERP CCC[NH+]1CCC(NC(=O)c2c[nH+]ccc2N)CC1 ZINC000127564413 358244705 /nfs/dbraw/zinc/24/47/05/358244705.db2.gz AVEYDRYDHDSPOK-UHFFFAOYSA-N 2 0 262.357 1.268 10 0 CDAERP COC(C[N@@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1)OC ZINC000195294834 358425478 /nfs/dbraw/zinc/42/54/78/358425478.db2.gz IHHBBVRGIHTYOR-HNNXBMFYSA-N 2 0 293.411 1.454 10 0 CDAERP COC(=O)c1coc([C@@H](C)[NH2+]CCC2(C[NH3+])CC2)c1 ZINC000593318515 358611326 /nfs/dbraw/zinc/61/13/26/358611326.db2.gz CNXACWVXYBTUPJ-SNVBAGLBSA-N 2 0 266.341 1.846 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC[N@@H+]1C ZINC000132942799 358593944 /nfs/dbraw/zinc/59/39/44/358593944.db2.gz JJACELQMCQGMOM-SEBNEYGDSA-N 2 0 279.428 1.506 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H](NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000401891072 412679420 /nfs/dbraw/zinc/67/94/20/412679420.db2.gz XMZNXAHHVUPAQZ-IMJJTQAJSA-N 2 0 261.413 1.877 10 0 CDAERP Cc1nc[nH]c1CNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000335249941 359110327 /nfs/dbraw/zinc/11/03/27/359110327.db2.gz NEMZQZAQKNUMJB-VXGBXAGGSA-N 2 0 264.373 1.632 10 0 CDAERP [NH3+][C@H]1CCC[C@@H]1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000261806959 359063364 /nfs/dbraw/zinc/06/33/64/359063364.db2.gz WHMYIAXHXGHALI-RYUDHWBXSA-N 2 0 277.343 1.537 10 0 CDAERP Cn1c2ccccc2nc1N1CCN2CCOC[C@H]2C1 ZINC000347883076 359647720 /nfs/dbraw/zinc/64/77/20/359647720.db2.gz QECQUVRJBBFYNF-GFCCVEGCSA-N 2 0 272.352 1.094 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH2+]C2CC2)[C@H](C)C1 ZINC000637297161 359663527 /nfs/dbraw/zinc/66/35/27/359663527.db2.gz DEIHACZSODXZCO-OCCSQVGLSA-N 2 0 282.432 1.110 10 0 CDAERP COC[C@H]([NH2+][C@@H](CCC[NH3+])COC)c1ccccc1 ZINC000422954562 359714345 /nfs/dbraw/zinc/71/43/45/359714345.db2.gz JAKBJPCTVQFNSQ-GJZGRUSLSA-N 2 0 266.385 1.718 10 0 CDAERP C[C@H]([NH2+]CC1(O)CCOCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347922488 359697291 /nfs/dbraw/zinc/69/72/91/359697291.db2.gz CSXLNCCQLIFEJK-GJZGRUSLSA-N 2 0 296.455 1.771 10 0 CDAERP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cnccc1N ZINC000422982166 359697336 /nfs/dbraw/zinc/69/73/36/359697336.db2.gz VTMVRLAMYREBOE-KGLIPLIRSA-N 2 0 292.427 1.382 10 0 CDAERP Cc1nccn1CC[N@@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000336704262 359737401 /nfs/dbraw/zinc/73/74/01/359737401.db2.gz IXXDUGIIDWZVNO-JSGCOSHPSA-N 3 0 250.390 1.606 10 0 CDAERP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)[C@H](C)OC)CC[NH2+]CC1 ZINC000423075455 359747865 /nfs/dbraw/zinc/74/78/65/359747865.db2.gz WVCNROWXHRMPTN-RWMBFGLXSA-N 2 0 286.416 1.321 10 0 CDAERP C(C[NH+]1CCOCC1)C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000336798788 359856080 /nfs/dbraw/zinc/85/60/80/359856080.db2.gz GISOBPWZTNIAGL-OAHLLOKOSA-N 2 0 268.401 1.210 10 0 CDAERP CC(C)[NH+]1CCN(CCC[NH2+][C@H]2[C@@H](C)O[C@@H](C)[C@H]2C)CC1 ZINC000528761585 359932818 /nfs/dbraw/zinc/93/28/18/359932818.db2.gz ZDTXSJUVBAZOSI-YYIAUSFCSA-N 2 0 297.487 1.804 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000237954348 360193900 /nfs/dbraw/zinc/19/39/00/360193900.db2.gz QHKQJSKXHDSZEH-RRFJBIMHSA-N 2 0 279.428 1.591 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(C)CCC[NH+](C)C)C1 ZINC000185990066 363718783 /nfs/dbraw/zinc/71/87/83/363718783.db2.gz ALCXYKJKGXZFLJ-OAHLLOKOSA-N 2 0 298.475 1.700 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000261574020 360415170 /nfs/dbraw/zinc/41/51/70/360415170.db2.gz WPQQQQGPYBAZTO-CHWSQXEVSA-N 2 0 269.433 1.611 10 0 CDAERP CC[N@@H+]1C[C@H](C)N(C(=O)[C@@H]2CCc3nc[nH]c3C2)C[C@H]1C ZINC000613147635 360514772 /nfs/dbraw/zinc/51/47/72/360514772.db2.gz FDVNJSKEJNQEIC-FRRDWIJNSA-N 2 0 290.411 1.456 10 0 CDAERP CCC1([NH+](C)C)CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000635001168 360642391 /nfs/dbraw/zinc/64/23/91/360642391.db2.gz IXCLEIKBXNFZRG-AWEZNQCLSA-N 2 0 253.434 1.792 10 0 CDAERP CC[NH+](CC)CCCNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000626918763 360633140 /nfs/dbraw/zinc/63/31/40/360633140.db2.gz KSGFTNYQURVQOQ-IYBDPMFKSA-N 2 0 296.459 1.359 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000626947501 360686391 /nfs/dbraw/zinc/68/63/91/360686391.db2.gz ULHGSUCNAAUARK-MGPQQGTHSA-N 2 0 282.432 1.158 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000354177173 360674747 /nfs/dbraw/zinc/67/47/47/360674747.db2.gz ZZOXSTWBGHCRON-AWEZNQCLSA-N 2 0 281.444 1.804 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C)CC[NH+](C)C ZINC000338300155 360844723 /nfs/dbraw/zinc/84/47/23/360844723.db2.gz BPWIMFGBZGVPQO-CHWSQXEVSA-N 2 0 272.437 1.356 10 0 CDAERP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCCSC2)CCCO1 ZINC000432359486 361155524 /nfs/dbraw/zinc/15/55/24/361155524.db2.gz QQNLBEUPEOCQQB-ZIAGYGMSSA-N 2 0 272.458 1.973 10 0 CDAERP CC(C)[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C[C@H](C)O ZINC000304118641 370679823 /nfs/dbraw/zinc/67/98/23/370679823.db2.gz PMZVRWARYBYFRU-AWEZNQCLSA-N 2 0 299.459 1.067 10 0 CDAERP CC[NH+]1CCN(CCCC[NH2+]Cc2conc2C)CC1 ZINC000339183058 361337994 /nfs/dbraw/zinc/33/79/94/361337994.db2.gz RHLMEPZZLQBPTQ-UHFFFAOYSA-N 2 0 280.416 1.490 10 0 CDAERP CC[NH+](CC)CC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000628965781 361362570 /nfs/dbraw/zinc/36/25/70/361362570.db2.gz IABQBMYYHRSBOS-AWEZNQCLSA-N 2 0 267.417 1.461 10 0 CDAERP C[NH+](C)C1(CNC(=O)CCC2C[NH2+]C2)CCCCC1 ZINC000637881728 366772885 /nfs/dbraw/zinc/77/28/85/366772885.db2.gz QBMFONJBGXPFCO-UHFFFAOYSA-N 2 0 267.417 1.367 10 0 CDAERP [NH3+]C1(CNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CCCCCC1 ZINC000336596747 363798686 /nfs/dbraw/zinc/79/86/86/363798686.db2.gz QNAUGIUDETXJCJ-GXTWGEPZSA-N 2 0 265.401 1.154 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000300103597 364124175 /nfs/dbraw/zinc/12/41/75/364124175.db2.gz UVDZLUJBZVDJTJ-HUUCEWRRSA-N 3 0 271.449 1.594 10 0 CDAERP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000105124979 364690470 /nfs/dbraw/zinc/69/04/70/364690470.db2.gz LIRCZWCUDBBWKI-STQMWFEESA-N 2 0 284.448 1.499 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCCC[NH+]2C2CC2)C1 ZINC000582250618 364882590 /nfs/dbraw/zinc/88/25/90/364882590.db2.gz XHNCHLMFFHVRFO-DZGCQCFKSA-N 2 0 279.428 1.461 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[N@H+](C)C1CCCC1 ZINC000626969973 367105365 /nfs/dbraw/zinc/10/53/65/367105365.db2.gz CPDFUCPRZJBIBR-UONOGXRCSA-N 2 0 282.432 1.301 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000566857512 370829322 /nfs/dbraw/zinc/82/93/22/370829322.db2.gz RTKABSBQZLFXCY-RVMXOQNASA-N 2 0 255.406 1.526 10 0 CDAERP Cc1cc(C)n2c(C[NH2+][C@H](C)CCCC[NH3+])cnc2n1 ZINC000415011765 241516532 /nfs/dbraw/zinc/51/65/32/241516532.db2.gz IGIAFEBHSTWUGR-LLVKDONJSA-N 2 0 275.400 1.953 10 0 CDAERP CCCCCNC(=O)[C@H](C)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000572523779 367308074 /nfs/dbraw/zinc/30/80/74/367308074.db2.gz MYZFLTDCIJMKGA-HOCLYGCPSA-N 2 0 281.444 1.757 10 0 CDAERP CC1=CC[NH+](CCN[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000358216700 367517937 /nfs/dbraw/zinc/51/79/37/367517937.db2.gz ADXLYJMZEUGCRR-GJZGRUSLSA-N 2 0 251.418 1.711 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000416439462 242006636 /nfs/dbraw/zinc/00/66/36/242006636.db2.gz QFGLBWORCHMMLZ-DCAQKATOSA-N 2 0 284.429 1.386 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)N2CCCC23CC[NH+](C)CC3)C[NH2+]1 ZINC000627203115 367700232 /nfs/dbraw/zinc/70/02/32/367700232.db2.gz UXHWEPBSXVDBGF-ZIAGYGMSSA-N 2 0 294.443 1.397 10 0 CDAERP CCCN(C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)C1CC[NH2+]CC1 ZINC000627205826 367702820 /nfs/dbraw/zinc/70/28/20/367702820.db2.gz DWIPJRLLVDRJII-CHWSQXEVSA-N 2 0 282.432 1.301 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)C[NH2+]1 ZINC000627199592 367690692 /nfs/dbraw/zinc/69/06/92/367690692.db2.gz ZNVWMRZTPMCWOC-BZPMIXESSA-N 2 0 280.416 1.005 10 0 CDAERP C[NH2+]CCC1CCN(C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627210582 367711139 /nfs/dbraw/zinc/71/11/39/367711139.db2.gz RSTADLIOYVJYLU-OCCSQVGLSA-N 2 0 282.432 1.158 10 0 CDAERP O=C(CCC1C[NH2+]C1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000638075432 368073784 /nfs/dbraw/zinc/07/37/84/368073784.db2.gz RISFVKKBSNJUMV-CQSZACIVSA-N 2 0 265.401 1.073 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000261884950 482943924 /nfs/dbraw/zinc/94/39/24/482943924.db2.gz ZNNJETDNKSKZBG-HUUCEWRRSA-N 2 0 281.444 1.600 10 0 CDAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000418596667 243255611 /nfs/dbraw/zinc/25/56/11/243255611.db2.gz OZLGSJKGQYYORW-STQMWFEESA-N 2 0 282.432 1.158 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)C[C@H]1C ZINC000418619877 243283976 /nfs/dbraw/zinc/28/39/76/243283976.db2.gz PQUANKIXAUCEML-APIJFGDWSA-N 2 0 296.459 1.499 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000418704255 243356979 /nfs/dbraw/zinc/35/69/79/243356979.db2.gz RDMSJQCBTRMAIW-KGLIPLIRSA-N 2 0 292.427 1.496 10 0 CDAERP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000250835263 284064431 /nfs/dbraw/zinc/06/44/31/284064431.db2.gz KQQRKMYSCOJYJC-GCSSGZNBSA-N 2 0 291.439 1.650 10 0 CDAERP CC[C@H](C(=O)N1CC[C@H]([NH2+]CCOC2CCC2)C1)[NH+](C)C ZINC001661320918 1172367538 /nfs/dbraw/zinc/36/75/38/1172367538.db2.gz AOQNRVUSWGWMJI-DZGCQCFKSA-N 2 0 297.443 1.086 10 0 CDAERP CC(C)CC[C@H]([NH3+])C(=O)N1CCC([NH+](C)C)CC1 ZINC000638142815 368551076 /nfs/dbraw/zinc/55/10/76/368551076.db2.gz UTKYWFRPEXPVSQ-ZDUSSCGKSA-N 2 0 255.406 1.303 10 0 CDAERP COC(=O)c1ccc(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)nc1 ZINC000286421216 368825113 /nfs/dbraw/zinc/82/51/13/368825113.db2.gz MKEKBSZSLUFLFJ-IUODEOHRSA-N 2 0 291.395 1.783 10 0 CDAERP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000361522628 368871091 /nfs/dbraw/zinc/87/10/91/368871091.db2.gz BBRDXGOACNZALF-HZSPNIEDSA-N 2 0 255.450 1.893 10 0 CDAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638284960 369164269 /nfs/dbraw/zinc/16/42/69/369164269.db2.gz JEWAVSFLGYJDTL-COXVUDFISA-N 2 0 299.418 1.671 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)c1ccc(Cn2ccnc2)cc1 ZINC000567351274 370963033 /nfs/dbraw/zinc/96/30/33/370963033.db2.gz DAGIOJPMQNZLCI-RYUDHWBXSA-N 2 0 272.352 1.397 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]([NH2+]CCCF)C1 ZINC001661435357 1172390587 /nfs/dbraw/zinc/39/05/87/1172390587.db2.gz OSZGEPHRTCDJHG-IHRRRGAJSA-N 2 0 285.407 1.457 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000135264208 369657439 /nfs/dbraw/zinc/65/74/39/369657439.db2.gz NFRMHAVIXBNIBC-LSDHHAIUSA-N 2 0 273.380 1.502 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N(CC[NH+](C)C)C2CCCC2)C1 ZINC000577744276 317395288 /nfs/dbraw/zinc/39/52/88/317395288.db2.gz INYWRYDOQHTXIJ-CQSZACIVSA-N 2 0 281.444 1.661 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638405392 369808454 /nfs/dbraw/zinc/80/84/54/369808454.db2.gz ZCUANJZEKVWWBC-NWDGAFQWSA-N 2 0 251.374 1.023 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638405394 369808775 /nfs/dbraw/zinc/80/87/75/369808775.db2.gz ZCUANJZEKVWWBC-VXGBXAGGSA-N 2 0 251.374 1.023 10 0 CDAERP C[C@H](CC(=O)N1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000248034841 370102903 /nfs/dbraw/zinc/10/29/03/370102903.db2.gz RJVZZXUQQBYKCG-KFWWJZLASA-N 2 0 279.428 1.319 10 0 CDAERP [NH3+][C@H](C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000371235398 370220586 /nfs/dbraw/zinc/22/05/86/370220586.db2.gz KAWGLGARPGSDBC-XHSDSOJGSA-N 2 0 287.407 1.677 10 0 CDAERP COC[C@](C)(O)CC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000565285794 370409067 /nfs/dbraw/zinc/40/90/67/370409067.db2.gz VXTFRGNVBGDIAE-OAHLLOKOSA-N 2 0 270.417 1.238 10 0 CDAERP Nc1nccc([C@@H]2CCC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)n1 ZINC000565412072 370440561 /nfs/dbraw/zinc/44/05/61/370440561.db2.gz GLDRLKVMDVRKPT-QWHCGFSZSA-N 2 0 275.400 1.068 10 0 CDAERP Cc1c(Cl)c(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)nn1C ZINC000422550447 245106544 /nfs/dbraw/zinc/10/65/44/245106544.db2.gz BAQFVNYJUTYPJT-ZJUUUORDSA-N 2 0 256.781 1.599 10 0 CDAERP CC(C)[NH2+]CCCNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000566199716 370643397 /nfs/dbraw/zinc/64/33/97/370643397.db2.gz JEOHYXCERZVESI-CQSZACIVSA-N 2 0 269.433 1.755 10 0 CDAERP CC[C@H]([NH2+][C@H](CCC[NH3+])COC)c1c(C)nn(C)c1C ZINC000422799748 245269426 /nfs/dbraw/zinc/26/94/26/245269426.db2.gz YGKLYWZLBSZCMT-KGLIPLIRSA-N 2 0 282.432 1.832 10 0 CDAERP C[C@H](CN[C@@H](C1CC1)[C@H]1C[NH2+]CCO1)[N@@H+]1CCC[C@@H](C)C1 ZINC000422866459 245353212 /nfs/dbraw/zinc/35/32/12/245353212.db2.gz QHDHBSCONHABTI-SRABZTEZSA-N 2 0 295.471 1.463 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000573441940 371544946 /nfs/dbraw/zinc/54/49/46/371544946.db2.gz PUEHUVLNGYWQKY-GFJIZPEISA-N 2 0 265.401 1.118 10 0 CDAERP O=C(NCCC[NH+]1CCCCCC1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653105726 541856199 /nfs/dbraw/zinc/85/61/99/541856199.db2.gz HNCSQRFSCRQWPL-HZPDHXFCSA-N 2 0 293.455 1.899 10 0 CDAERP CC(C)[C@H](C[NH2+][C@@H]1C[C@H](C)[C@H]1C)N1CC[NH+](C)CC1 ZINC000336819057 371640735 /nfs/dbraw/zinc/64/07/35/371640735.db2.gz YBHUKCLKOTUHBX-JJXSEGSLSA-N 2 0 267.461 1.893 10 0 CDAERP CN(C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)[C@H]1CCC[N@H+](C)C1 ZINC000377899680 371742304 /nfs/dbraw/zinc/74/23/04/371742304.db2.gz FBEQGXJRCPABFC-BBRMVZONSA-N 2 0 299.434 1.752 10 0 CDAERP O=C(NCCCC[NH+]1CCCC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171901090 372208159 /nfs/dbraw/zinc/20/81/59/372208159.db2.gz XQVCPEUGBXLUIG-OAHLLOKOSA-N 2 0 294.443 1.352 10 0 CDAERP C[C@H](CC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)[C@H]1CCC[NH2+]C1 ZINC000578172992 372332087 /nfs/dbraw/zinc/33/20/87/372332087.db2.gz VWXLHMRJBXKGGS-HLLBOEOZSA-N 2 0 293.455 1.614 10 0 CDAERP CC(C)(C)C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415053379 372790133 /nfs/dbraw/zinc/79/01/33/372790133.db2.gz MNWZKNDWNIDKMJ-UHFFFAOYSA-N 2 0 253.434 1.839 10 0 CDAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000333353881 205244734 /nfs/dbraw/zinc/24/47/34/205244734.db2.gz JZWVRVFPIYUQBP-MCIONIFRSA-N 2 0 282.432 1.014 10 0 CDAERP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000383712684 373145086 /nfs/dbraw/zinc/14/50/86/373145086.db2.gz DVGVWFUTUQYRKM-ZJIFWQFVSA-N 2 0 284.444 1.315 10 0 CDAERP C[C@@H]([NH3+])c1ccc(C(=O)N[C@H]2CCC[N@H+](C)C2)cc1 ZINC000645684592 373231086 /nfs/dbraw/zinc/23/10/86/373231086.db2.gz AMZKCDRFFMUPBO-RISCZKNCSA-N 2 0 261.369 1.530 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NC1CC[NH+](C)CC1 ZINC000341463070 373669472 /nfs/dbraw/zinc/66/94/72/373669472.db2.gz VRYBRDSLROSXSG-KBPBESRZSA-N 2 0 296.459 1.643 10 0 CDAERP CC(C)CCNC(=O)[C@H](C)[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631840203 373789442 /nfs/dbraw/zinc/78/94/42/373789442.db2.gz ALVOMBPYBZDDHW-AVGNSLFASA-N 2 0 255.406 1.064 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000418562156 374410442 /nfs/dbraw/zinc/41/04/42/374410442.db2.gz TYVCFMJADJOJKR-CBBWQLFWSA-N 2 0 294.443 1.110 10 0 CDAERP CCN(CCC[NH+](CC)CC)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000418585948 374417954 /nfs/dbraw/zinc/41/79/54/374417954.db2.gz DVMDCEKNZDVTFZ-LSDHHAIUSA-N 2 0 298.475 1.748 10 0 CDAERP Cc1nc(N)nc(NCC2([NH+](C)C)CCCCCC2)n1 ZINC000631040976 374637537 /nfs/dbraw/zinc/63/75/37/374637537.db2.gz HQFOOCDAOYLOBI-UHFFFAOYSA-N 2 0 278.404 1.081 10 0 CDAERP C[C@H]1CC[C@@]2(CC[N@H+](CC(=O)N3CCN(C)CC3)C2)C1 ZINC000334336990 374923126 /nfs/dbraw/zinc/92/31/26/374923126.db2.gz UPGDMADKJYKVET-GOEBONIOSA-N 2 0 279.428 1.273 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]C2CCN(C(=O)C(C)C)CC2)[C@H](C)C1 ZINC000134164757 375615980 /nfs/dbraw/zinc/61/59/80/375615980.db2.gz MYJRTSJHLXPNAN-ZBFHGGJFSA-N 2 0 295.471 1.953 10 0 CDAERP O[C@@H](C[NH2+]CCC1CCOCC1)C[NH+]1CCCCC1 ZINC000312078492 375649879 /nfs/dbraw/zinc/64/98/79/375649879.db2.gz RMZMJULMMYGXEZ-HNNXBMFYSA-N 2 0 270.417 1.240 10 0 CDAERP CC[NH+](CC)CCCNC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000416815781 375691575 /nfs/dbraw/zinc/69/15/75/375691575.db2.gz NXNOLEJBBKPCAC-OLZOCXBDSA-N 2 0 270.421 1.016 10 0 CDAERP C[C@H](CNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C)[NH+]1CCC(C)CC1 ZINC000417314410 375766727 /nfs/dbraw/zinc/76/67/27/375766727.db2.gz REXASKVAUCMNNE-RBSFLKMASA-N 2 0 296.459 1.404 10 0 CDAERP Cc1ncsc1CC[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193632123 375885788 /nfs/dbraw/zinc/88/57/88/375885788.db2.gz NASYXCUANQJBME-TXEJJXNPSA-N 2 0 251.399 1.487 10 0 CDAERP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000638974998 376315511 /nfs/dbraw/zinc/31/55/11/376315511.db2.gz GDIZMQISYODLBA-QWHCGFSZSA-N 2 0 269.433 1.693 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000638976010 376321807 /nfs/dbraw/zinc/32/18/07/376321807.db2.gz SFKHAKMZVFALED-LBPRGKRZSA-N 2 0 255.406 1.303 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)CC2CC[NH2+]CC2)CC1 ZINC000638975278 376327128 /nfs/dbraw/zinc/32/71/28/376327128.db2.gz IQIZEGJNLSFVAV-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC[N@@H+]1C ZINC000631534363 376349195 /nfs/dbraw/zinc/34/91/95/376349195.db2.gz VOOUPSPNQMGGMT-GWONACJQSA-N 2 0 293.455 1.848 10 0 CDAERP C[C@@H](NC(=O)[C@H](C)N1CC[C@](C)(C[NH3+])C1)c1ccccc1 ZINC000631825769 376656266 /nfs/dbraw/zinc/65/62/66/376656266.db2.gz UCRSEQWFQOLYSS-JKIFEVAISA-N 2 0 289.423 1.923 10 0 CDAERP COc1ccc([C@@H](C[NH3+])CN2CCCCC[C@H]([NH3+])C2)cc1 ZINC000631834826 376677875 /nfs/dbraw/zinc/67/78/75/376677875.db2.gz GJPAAGGUYRLNMS-HOTGVXAUSA-N 2 0 291.439 1.941 10 0 CDAERP C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)OC1CCOCC1 ZINC000631891372 376787430 /nfs/dbraw/zinc/78/74/30/376787430.db2.gz YJLHEWATLWMVPJ-UKRRQHHQSA-N 2 0 268.401 1.256 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000417444810 377151694 /nfs/dbraw/zinc/15/16/94/377151694.db2.gz DVGQGFCYURYIQJ-RWMBFGLXSA-N 2 0 270.421 1.014 10 0 CDAERP CC[N@H+](CCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)C(C)C ZINC000417453954 377242307 /nfs/dbraw/zinc/24/23/07/377242307.db2.gz BOJYWDKYGRWNMQ-QWHCGFSZSA-N 2 0 270.421 1.014 10 0 CDAERP C[C@H](CC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000571999557 377648692 /nfs/dbraw/zinc/64/86/92/377648692.db2.gz JCCLNLDRMMEKJI-AAVRWANBSA-N 2 0 267.417 1.126 10 0 CDAERP C[NH2+][C@@H]1CCN(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000417537226 377903797 /nfs/dbraw/zinc/90/37/97/377903797.db2.gz RZPXNLFXOCLBKH-HZSPNIEDSA-N 2 0 282.432 1.253 10 0 CDAERP CC(C)[C@H]1CN(C(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)CC[N@@H+]1C ZINC000633093806 378117356 /nfs/dbraw/zinc/11/73/56/378117356.db2.gz UFWNSMGAABOKFN-RBSFLKMASA-N 2 0 296.459 1.451 10 0 CDAERP C[C@@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H](C)C[NH2+]1 ZINC000417779574 378722671 /nfs/dbraw/zinc/72/26/71/378722671.db2.gz BJNPUIXWRCXYBN-WQGXVZNYSA-N 2 0 294.443 1.394 10 0 CDAERP C[NH+](C)CCC[C@@H]1CN(C[C@H]2CCC[N@@H+]2C)CCO1 ZINC000662325051 412894019 /nfs/dbraw/zinc/89/40/19/412894019.db2.gz BIKWGJGXEAPDDH-HUUCEWRRSA-N 2 0 269.433 1.123 10 0 CDAERP COCCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001662349520 1172534396 /nfs/dbraw/zinc/53/43/96/1172534396.db2.gz DBNKNHPLTJEAPK-LSDHHAIUSA-N 2 0 299.459 1.380 10 0 CDAERP NC(=O)c1cccc2c1CC[N@H+](CCC1CC[NH2+]CC1)C2 ZINC000662327158 412898733 /nfs/dbraw/zinc/89/87/33/412898733.db2.gz LDBVUXQZJGUDCO-UHFFFAOYSA-N 2 0 287.407 1.533 10 0 CDAERP CN(CCCC1CC[NH2+]CC1)[C@H](C[NH3+])C(F)(F)F ZINC000662331235 412901173 /nfs/dbraw/zinc/90/11/73/412901173.db2.gz MAAOUWKDMABRBF-LLVKDONJSA-N 2 0 267.339 1.588 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000634133443 379068906 /nfs/dbraw/zinc/06/89/06/379068906.db2.gz HXEKMIQBUOTZHX-QWHCGFSZSA-N 2 0 270.421 1.109 10 0 CDAERP CC(C)n1nccc1C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000657573170 412904397 /nfs/dbraw/zinc/90/43/97/412904397.db2.gz LBASSEHRNJIEMO-HNNXBMFYSA-N 2 0 295.475 1.826 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC(C)(C)O ZINC000344128497 379190581 /nfs/dbraw/zinc/19/05/81/379190581.db2.gz TVYMDOSRQVRHHF-UHFFFAOYSA-N 2 0 260.341 1.436 10 0 CDAERP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261751926 183613010 /nfs/dbraw/zinc/61/30/10/183613010.db2.gz JAELSRCRKDVUCA-FZKCQIBNSA-N 2 0 293.455 1.742 10 0 CDAERP CCN(C(=O)NCC1CC[NH+](CC)CC1)[C@H]1CC[N@H+](C)C1 ZINC000663912949 412950841 /nfs/dbraw/zinc/95/08/41/412950841.db2.gz UDONFRNQZPQIIR-HNNXBMFYSA-N 2 0 296.459 1.454 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)NCC[NH+](CC)C1CC1 ZINC000663921172 412958441 /nfs/dbraw/zinc/95/84/41/412958441.db2.gz SLNFWYGGOCCYFL-UHFFFAOYSA-N 2 0 298.475 1.890 10 0 CDAERP COCCN1CCC[C@H]1C[NH2+][C@@H](C)Cc1cnccn1 ZINC000453085237 252267029 /nfs/dbraw/zinc/26/70/29/252267029.db2.gz FXBBKDVBRCYWPW-ZFWWWQNUSA-N 2 0 278.400 1.108 10 0 CDAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000263049142 285025704 /nfs/dbraw/zinc/02/57/04/285025704.db2.gz UIDFJKYCNMSYMZ-IJEWVQPXSA-N 2 0 297.443 1.121 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000655969924 412984163 /nfs/dbraw/zinc/98/41/63/412984163.db2.gz DKBFVMNSLZAKMI-LZWOXQAQSA-N 2 0 294.443 1.112 10 0 CDAERP O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130251206 285221653 /nfs/dbraw/zinc/22/16/53/285221653.db2.gz NLDKVXSWWMWZHF-NFAWXSAZSA-N 2 0 287.407 1.969 10 0 CDAERP OCC[N@@H+]1CCCC[C@@H]1CNC1CC[NH+](C2CC2)CC1 ZINC000459568461 285259118 /nfs/dbraw/zinc/25/91/18/285259118.db2.gz KPTXHHUTBHZNMF-MRXNPFEDSA-N 2 0 281.444 1.050 10 0 CDAERP C[C@@H]1[C@H](C(=O)N(CC[NH3+])CCc2ccccc2)CC[N@@H+]1C ZINC000648133026 390165187 /nfs/dbraw/zinc/16/51/87/390165187.db2.gz SHEOGAFVKSIZMX-GDBMZVCRSA-N 2 0 289.423 1.357 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000362824822 285365695 /nfs/dbraw/zinc/36/56/95/285365695.db2.gz FEWAEYQFZZLMLU-GOEBONIOSA-N 2 0 295.471 1.907 10 0 CDAERP OCCC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000358306257 390552858 /nfs/dbraw/zinc/55/28/58/390552858.db2.gz UEQUFQTYMUMHST-ZIAGYGMSSA-N 2 0 252.402 1.756 10 0 CDAERP CC(C)NC(=O)CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158639754 390934697 /nfs/dbraw/zinc/93/46/97/390934697.db2.gz IZHDHDGCURFWLT-ZIAGYGMSSA-N 2 0 267.417 1.317 10 0 CDAERP CC(C)[NH+]1CCC([NH2+]CCCc2ncn(C)n2)CC1 ZINC000647325351 390939094 /nfs/dbraw/zinc/93/90/94/390939094.db2.gz CVMIPKSQZHYFTF-UHFFFAOYSA-N 2 0 265.405 1.210 10 0 CDAERP CC(C)C[C@H]([NH3+])C[NH2+]CCc1cn2ccccc2n1 ZINC000415114744 391034294 /nfs/dbraw/zinc/03/42/94/391034294.db2.gz TZVFOIVMWJOEJF-ZDUSSCGKSA-N 2 0 260.385 1.840 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCc1cn2c(cccc2C)n1 ZINC000647803815 391064280 /nfs/dbraw/zinc/06/42/80/391064280.db2.gz DESYCDQORKIUJJ-HNNXBMFYSA-N 2 0 290.411 1.529 10 0 CDAERP CC[C@H](C)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000337304180 391107658 /nfs/dbraw/zinc/10/76/58/391107658.db2.gz RGOFJAYSQNWCNW-KKUMJFAQSA-N 2 0 253.434 1.743 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000380668887 391292319 /nfs/dbraw/zinc/29/23/19/391292319.db2.gz VTIMPLFIEAGBCW-DZGCQCFKSA-N 2 0 281.444 1.550 10 0 CDAERP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NCCC[NH3+] ZINC000418307076 391294648 /nfs/dbraw/zinc/29/46/48/391294648.db2.gz CCENBFOSIACSFM-UHFFFAOYSA-N 2 0 296.390 1.248 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)CN1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000647970730 391334775 /nfs/dbraw/zinc/33/47/75/391334775.db2.gz BYVIZFUFQCFLFR-SOUVJXGZSA-N 2 0 286.460 1.416 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCOC2)[C@H]2CCC[C@@H]21 ZINC000353455383 391392773 /nfs/dbraw/zinc/39/27/73/391392773.db2.gz PQKQZHOXHRUNPS-XGUBFFRZSA-N 2 0 252.402 1.875 10 0 CDAERP [NH3+]C[C@@H](C(=O)N[C@H](C[NH3+])C1CCCC1)c1ccc(F)cc1 ZINC000417823572 391489035 /nfs/dbraw/zinc/48/90/35/391489035.db2.gz AGIVNWPNVHZUJV-HUUCEWRRSA-N 2 0 293.386 1.502 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000418550367 391518776 /nfs/dbraw/zinc/51/87/76/391518776.db2.gz AMBVAGMCMHDZDB-RBSFLKMASA-N 2 0 294.443 1.254 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000418705902 391530014 /nfs/dbraw/zinc/53/00/14/391530014.db2.gz SAJWTWNPDFVYEA-IHRRRGAJSA-N 2 0 282.432 1.382 10 0 CDAERP C(CN1CC[C@@H](C[NH+]2CCCC2)C1)C[NH+]1CCCC1 ZINC000161990401 391612170 /nfs/dbraw/zinc/61/21/70/391612170.db2.gz BIBLIWFPDPEUSX-INIZCTEOSA-N 2 0 265.445 1.890 10 0 CDAERP OCC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC2(CCC2)C1 ZINC000647795633 391642179 /nfs/dbraw/zinc/64/21/79/391642179.db2.gz RZJOLCGSSHLNDP-RBSFLKMASA-N 2 0 278.440 1.907 10 0 CDAERP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCc1ncn(C)n1 ZINC000647800961 391663864 /nfs/dbraw/zinc/66/38/64/391663864.db2.gz NBSPCZDRPGYUJO-HIFRSBDPSA-N 2 0 287.411 1.296 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000417607066 391696408 /nfs/dbraw/zinc/69/64/08/391696408.db2.gz FYUZPHBGHGKGCN-INIZCTEOSA-N 2 0 296.459 1.503 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH2+][C@H](C)C1 ZINC000335396137 391704286 /nfs/dbraw/zinc/70/42/86/391704286.db2.gz RCDVGIJOXAEGCR-OLZOCXBDSA-N 2 0 253.390 1.070 10 0 CDAERP C[C@@H](CCC[NH3+])[NH2+]Cc1c(Br)cnn1C ZINC000415015975 391724009 /nfs/dbraw/zinc/72/40/09/391724009.db2.gz BQVPMTHGCLBQOD-QMMMGPOBSA-N 2 0 275.194 1.400 10 0 CDAERP CC[C@H]([NH3+])CNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000418141054 391761595 /nfs/dbraw/zinc/76/15/95/391761595.db2.gz XQIUIOHYNGBIMY-HIFPTAJRSA-N 2 0 268.405 1.040 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000418203861 391805987 /nfs/dbraw/zinc/80/59/87/391805987.db2.gz WJHVCBCSYJGMPR-SOUVJXGZSA-N 2 0 296.459 1.356 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000335033299 392000769 /nfs/dbraw/zinc/00/07/69/392000769.db2.gz FUCZCWBKLPWEDH-TZMCWYRMSA-N 2 0 292.427 1.007 10 0 CDAERP C[NH+]1CCC2(CC1)C[N@H+](CCOCC1CCCC1)CCO2 ZINC000646106587 392016903 /nfs/dbraw/zinc/01/69/03/392016903.db2.gz BVDRHDXKRWGNPY-UHFFFAOYSA-N 2 0 296.455 1.990 10 0 CDAERP CC[N@H+](CCNC(=O)N(C)[C@@H]1CC[NH+](C)[C@H](C)C1)C(C)C ZINC000341099585 391948939 /nfs/dbraw/zinc/94/89/39/391948939.db2.gz ZYDMSPPYTJIABE-HUUCEWRRSA-N 2 0 298.475 1.841 10 0 CDAERP CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1CC1CC[NH2+]CC1 ZINC000261975136 392027795 /nfs/dbraw/zinc/02/77/95/392027795.db2.gz QRIOCXDPBABLGW-UONOGXRCSA-N 2 0 284.400 1.029 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+]C2CC(CF)(CF)C2)CC1 ZINC000657835581 413051582 /nfs/dbraw/zinc/05/15/82/413051582.db2.gz ULLYAKYXHWTACL-UHFFFAOYSA-N 2 0 289.414 1.691 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1CCCCC[NH2+]1)C1CCCCC1 ZINC000567971389 392314038 /nfs/dbraw/zinc/31/40/38/392314038.db2.gz CMUFTFITPZUPAB-OAHLLOKOSA-N 2 0 281.444 1.899 10 0 CDAERP [NH3+]C1CCC(OCC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000567972658 392314491 /nfs/dbraw/zinc/31/44/91/392314491.db2.gz DULKUJLQDYAUGK-PFSRBDOWSA-N 2 0 295.427 1.016 10 0 CDAERP CCC[NH+]1CCC(NC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000529313893 392318026 /nfs/dbraw/zinc/31/80/26/392318026.db2.gz RFZRHFHJCMPIEI-OCCSQVGLSA-N 2 0 282.432 1.301 10 0 CDAERP CC1=CCN(CC[NH2+][C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000423031379 392287718 /nfs/dbraw/zinc/28/77/18/392287718.db2.gz CZFRYIYRONCQHP-GJZGRUSLSA-N 2 0 251.418 1.888 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000423039166 392293491 /nfs/dbraw/zinc/29/34/91/392293491.db2.gz DUBDTCVITNIDQG-XHSDSOJGSA-N 3 0 297.487 1.983 10 0 CDAERP CC[C@H]([NH2+]CCOCC[NH2+]C)c1ccc(OC)cc1 ZINC000629528569 392385587 /nfs/dbraw/zinc/38/55/87/392385587.db2.gz CNDWKIVXLGSWRB-HNNXBMFYSA-N 2 0 266.385 1.972 10 0 CDAERP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CC2(O)CCOCC2)C1 ZINC000437584061 392465415 /nfs/dbraw/zinc/46/54/15/392465415.db2.gz QPMFBFVITPEBSU-HNNXBMFYSA-N 2 0 282.428 1.192 10 0 CDAERP [NH3+][C@H]1CCCCC[C@H]1NCCC[NH2+]Cc1cccnc1 ZINC000423181037 392421722 /nfs/dbraw/zinc/42/17/22/392421722.db2.gz CADMUYAESFFIHM-JKSUJKDBSA-N 2 0 276.428 1.811 10 0 CDAERP COCC[C@@H](Cc1cccc(F)c1)[NH2+]CCC[NH3+] ZINC000437761375 392488371 /nfs/dbraw/zinc/48/83/71/392488371.db2.gz RYXLOCDLRIBPLV-AWEZNQCLSA-N 2 0 254.349 1.712 10 0 CDAERP COc1ccc(NC(=O)C[C@@H](C)[NH2+]CCC[NH3+])cc1 ZINC000437800305 392492441 /nfs/dbraw/zinc/49/24/41/392492441.db2.gz NSSREIDBZBUTNX-LLVKDONJSA-N 2 0 265.357 1.351 10 0 CDAERP CC[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)[C@@H]1CCC[NH2+]1 ZINC000423500461 392580336 /nfs/dbraw/zinc/58/03/36/392580336.db2.gz AMCHWCODTVNEMG-BACDZXNISA-N 3 0 294.487 1.323 10 0 CDAERP C[C@@H](Cc1ccoc1)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000449094233 392639328 /nfs/dbraw/zinc/63/93/28/392639328.db2.gz REUSMHDNQMSDQP-JSGCOSHPSA-N 2 0 252.358 1.257 10 0 CDAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000252792366 392813943 /nfs/dbraw/zinc/81/39/43/392813943.db2.gz VKECQJIDTMEISG-LRDDRELGSA-N 2 0 285.391 1.599 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)COC2CC[NH2+]CC2)cc1 ZINC000646804932 392821595 /nfs/dbraw/zinc/82/15/95/392821595.db2.gz JPGZPZDPHODJLT-LBPRGKRZSA-N 2 0 291.395 1.091 10 0 CDAERP C[C@@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000459042126 392889333 /nfs/dbraw/zinc/88/93/33/392889333.db2.gz OPTGCUASOXDADR-RWMBFGLXSA-N 2 0 270.421 1.061 10 0 CDAERP C[C@H](CO)[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000268867048 132079817 /nfs/dbraw/zinc/07/98/17/132079817.db2.gz UFDCPYMFQYUWPT-LZWOXQAQSA-N 2 0 262.397 1.867 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000494256190 392962354 /nfs/dbraw/zinc/96/23/54/392962354.db2.gz HIZOTYVFGVFCKS-CQSZACIVSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCC[NH+]1C1CC1 ZINC000494259874 392963033 /nfs/dbraw/zinc/96/30/33/392963033.db2.gz PFJNYLPHZGPMLT-UKRRQHHQSA-N 2 0 279.428 1.604 10 0 CDAERP CCC[C@H](C(=O)NC[C@@H](C)[N@H+](C)C1CC1)[NH+](C)C ZINC000132322187 393097615 /nfs/dbraw/zinc/09/76/15/393097615.db2.gz LINUPWIVHFDZOC-DGCLKSJQSA-N 2 0 255.406 1.316 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)[C@@H]1C ZINC000495089329 393176234 /nfs/dbraw/zinc/17/62/34/393176234.db2.gz XXORTUPDZXCRPR-KBXIAJHMSA-N 2 0 254.418 1.857 10 0 CDAERP CC[N@H+](C)Cc1cccc(CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)c1 ZINC000188739198 140100643 /nfs/dbraw/zinc/10/06/43/140100643.db2.gz OFSGEPNHWSEXEN-LSDHHAIUSA-N 2 0 293.386 1.455 10 0 CDAERP C[N@H+]1C[C@@H]2C[NH+](CCCOCC(F)(F)F)C[C@@H]2C1 ZINC000193598378 140146279 /nfs/dbraw/zinc/14/62/79/140146279.db2.gz WXZDJVZXPJIJNA-PHIMTYICSA-N 2 0 266.307 1.449 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H](C)CCc1ccco1 ZINC000234811010 140232244 /nfs/dbraw/zinc/23/22/44/140232244.db2.gz LRULZAGQBQSPLI-OLZOCXBDSA-N 2 0 254.374 1.944 10 0 CDAERP C[C@H]1CCC[N@H+](CCNC(=O)N2CC[NH+]3CCC[C@H]3C2)C1 ZINC000252441948 140320119 /nfs/dbraw/zinc/32/01/19/140320119.db2.gz DNSADMNAWDPQDK-GJZGRUSLSA-N 2 0 294.443 1.208 10 0 CDAERP O=C(CC[C@H]1CC[NH2+]C1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000261824148 140395735 /nfs/dbraw/zinc/39/57/35/140395735.db2.gz MTUWASAQJKTNMW-GOEBONIOSA-N 2 0 293.455 1.757 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656200400 413098939 /nfs/dbraw/zinc/09/89/39/413098939.db2.gz MIZORMNPGACRMJ-HTVCTNPSSA-N 2 0 257.422 1.200 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656200403 413099247 /nfs/dbraw/zinc/09/92/47/413099247.db2.gz MIZORMNPGACRMJ-ZUWCUPBKSA-N 2 0 257.422 1.200 10 0 CDAERP O=C(C[C@@H]1[NH2+]Cc2ccccc21)NCC[N@H+]1CC=CCC1 ZINC000662547285 413113218 /nfs/dbraw/zinc/11/32/18/413113218.db2.gz XSWWOFBLFRLPFZ-INIZCTEOSA-N 2 0 285.391 1.599 10 0 CDAERP C[NH+](C)[C@@H]1CCCN(CCO[C@H]2CC2(F)F)CC1 ZINC000660416196 413110318 /nfs/dbraw/zinc/11/03/18/413110318.db2.gz OOCGUHCEBIGXQU-NEPJUHHUSA-N 2 0 262.344 1.827 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)NCCC1(C[NH3+])CC1 ZINC000662581790 413149435 /nfs/dbraw/zinc/14/94/35/413149435.db2.gz JREYIXZHCAPBEU-LBPRGKRZSA-N 2 0 255.406 1.243 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000417678057 397634376 /nfs/dbraw/zinc/63/43/76/397634376.db2.gz ITWVDYCTQPCXJU-MGPQQGTHSA-N 2 0 298.475 1.650 10 0 CDAERP C[NH2+][C@H](CC(C)(C)C)C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000387557328 397715552 /nfs/dbraw/zinc/71/55/52/397715552.db2.gz WKYDNWACDHQPSU-ZIAGYGMSSA-N 2 0 281.444 1.563 10 0 CDAERP CN(C(=O)[C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1C[NH+]2CCC1CC2 ZINC000388668784 397793032 /nfs/dbraw/zinc/79/30/32/397793032.db2.gz BKWGJJJKYVYNGU-MCIONIFRSA-N 2 0 265.401 1.057 10 0 CDAERP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NC[C@@H]1CCC[NH+]1C ZINC000102000385 397828284 /nfs/dbraw/zinc/82/82/84/397828284.db2.gz SBGFKVVQUAGODP-ZNMIVQPWSA-N 2 0 296.459 1.500 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1CC[NH+](C(C)C)CC1 ZINC000651191987 397869760 /nfs/dbraw/zinc/86/97/60/397869760.db2.gz XJASIOLOHUAODC-UHFFFAOYSA-N 2 0 298.475 1.700 10 0 CDAERP [NH3+]C1CCC(C(=O)N2CC[NH+](CC3CC3)CC2)CC1 ZINC000037816842 398111214 /nfs/dbraw/zinc/11/12/14/398111214.db2.gz JKYVTJCOEPOJJW-UHFFFAOYSA-N 2 0 265.401 1.058 10 0 CDAERP OCCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000097817674 147127088 /nfs/dbraw/zinc/12/70/88/147127088.db2.gz POCHCXKTCHMWRL-HZSPNIEDSA-N 2 0 252.402 1.659 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)Cn1cccn1 ZINC000658106541 413206106 /nfs/dbraw/zinc/20/61/06/413206106.db2.gz IFQOXTFDYNWLOH-GJZGRUSLSA-N 2 0 281.448 1.133 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000352408395 155167240 /nfs/dbraw/zinc/16/72/40/155167240.db2.gz HKTCANBDPGBWQK-MELADBBJSA-N 2 0 269.433 1.706 10 0 CDAERP CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCC[NH+](CC)C2)C1 ZINC000177861946 148043550 /nfs/dbraw/zinc/04/35/50/148043550.db2.gz AZUWNQFFFDVOTN-HUUCEWRRSA-N 2 0 296.459 1.454 10 0 CDAERP CC[NH+](CC)CCCC1CC[NH+](C[C@H](O)COC)CC1 ZINC000182748859 148265066 /nfs/dbraw/zinc/26/50/66/148265066.db2.gz IQQRSLPBWMOGMP-INIZCTEOSA-N 2 0 286.460 1.828 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000193318715 148621257 /nfs/dbraw/zinc/62/12/57/148621257.db2.gz CDAAYFVDFKPEQC-QWHCGFSZSA-N 2 0 253.390 1.058 10 0 CDAERP COC(=O)[C@@H]1CN(CC(C)(C)[NH3+])C[C@H]1c1ccccc1 ZINC000262022057 149003484 /nfs/dbraw/zinc/00/34/84/149003484.db2.gz WGVLQHLGLYNRTQ-UONOGXRCSA-N 2 0 276.380 1.612 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000262673019 149094201 /nfs/dbraw/zinc/09/42/01/149094201.db2.gz PXOQPHWSLANGHF-RBZJEDDUSA-N 2 0 293.455 1.896 10 0 CDAERP CCOCC[NH+]1CCN(C[C@H]([NH3+])CC(C)C)CC1 ZINC000414682595 286089211 /nfs/dbraw/zinc/08/92/11/286089211.db2.gz YOSULHABUGSYGM-CQSZACIVSA-N 2 0 257.422 1.014 10 0 CDAERP CC[C@@H](C(=O)N(C)CC[NH2+]Cc1ccccc1C)[NH+](C)C ZINC001664313978 1172838552 /nfs/dbraw/zinc/83/85/52/1172838552.db2.gz RDYBOEPOWYTINR-INIZCTEOSA-N 2 0 291.439 1.883 10 0 CDAERP C[N@@H+]1CC[C@@]2(CC[NH+](CCC(=O)N3CCCCC3)C2)C1 ZINC000336125682 151290079 /nfs/dbraw/zinc/29/00/79/151290079.db2.gz PMPYUTVDEVZDLT-MRXNPFEDSA-N 2 0 279.428 1.417 10 0 CDAERP C[C@@H]([NH2+]CCCF)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001664467269 1172857172 /nfs/dbraw/zinc/85/71/72/1172857172.db2.gz IJGFARLNAYSMQW-HIFRSBDPSA-N 2 0 299.434 1.514 10 0 CDAERP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@@H](CO)Cc1ccccc1 ZINC000343668770 152260988 /nfs/dbraw/zinc/26/09/88/152260988.db2.gz PUDUEJLRWJDTTC-VNQPRFMTSA-N 2 0 262.397 1.377 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)C(C)C ZINC000349058441 154041910 /nfs/dbraw/zinc/04/19/10/154041910.db2.gz QBGJENOGJPEQCA-AWEZNQCLSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)([NH3+])C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000662686450 413310808 /nfs/dbraw/zinc/31/08/08/413310808.db2.gz NPEBRYJJUHHBCW-LBPRGKRZSA-N 2 0 263.341 1.023 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)CC[C@H]2CCCC[NH+]2C)CC[N@@H+]1C ZINC000354067188 156251958 /nfs/dbraw/zinc/25/19/58/156251958.db2.gz ZJUSKNRCXPXUSR-QLFBSQMISA-N 2 0 281.444 1.850 10 0 CDAERP CCc1cccc(F)c1C[NH2+]C[C@@H]1CN(C)CCN1C ZINC000354330445 156392271 /nfs/dbraw/zinc/39/22/71/156392271.db2.gz OKUCDJWYHMPBMQ-CQSZACIVSA-N 2 0 279.403 1.724 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000662693886 413329209 /nfs/dbraw/zinc/32/92/09/413329209.db2.gz MQYJALJXWJVRFN-OLZOCXBDSA-N 2 0 255.406 1.350 10 0 CDAERP CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654487502 413350197 /nfs/dbraw/zinc/35/01/97/413350197.db2.gz KILBOYDIZJFEPN-KFWWJZLASA-N 2 0 296.459 1.500 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662728855 413392026 /nfs/dbraw/zinc/39/20/26/413392026.db2.gz HHWAWKAOBVZRFT-CQSZACIVSA-N 2 0 293.455 1.755 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000662730516 413395703 /nfs/dbraw/zinc/39/57/03/413395703.db2.gz HTXJAVFBNLFJPJ-BFHYXJOUSA-N 2 0 267.417 1.112 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC000362772285 159235342 /nfs/dbraw/zinc/23/53/42/159235342.db2.gz FSCBNTSYPZDKNP-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000368436775 159648594 /nfs/dbraw/zinc/64/85/94/159648594.db2.gz BJNYNZHETNCULF-WYTNZGFTSA-N 2 0 265.401 1.021 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)CC[N@@H+]1C ZINC000374798712 160316758 /nfs/dbraw/zinc/31/67/58/160316758.db2.gz OSEYJEAWYGWBIN-QKPAOTATSA-N 2 0 296.455 1.626 10 0 CDAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(C(C)(C)[NH3+])no2)C1 ZINC000662749706 413425085 /nfs/dbraw/zinc/42/50/85/413425085.db2.gz OIJJMIBEQVIIHJ-NSHDSACASA-N 2 0 294.399 1.282 10 0 CDAERP O=C(N1CCC([C@H]2CCC[NH2+]2)CC1)C1([NH2+]C2CC2)CCC1 ZINC000662760712 413448480 /nfs/dbraw/zinc/44/84/80/413448480.db2.gz IWTWSVJBADZMLX-OAHLLOKOSA-N 2 0 291.439 1.652 10 0 CDAERP C[NH2+]CCC1CCN(C(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000662764921 413459081 /nfs/dbraw/zinc/45/90/81/413459081.db2.gz UGRULVROZZGIJJ-UHFFFAOYSA-N 2 0 279.428 1.509 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001665642427 1173031368 /nfs/dbraw/zinc/03/13/68/1173031368.db2.gz SWAJVUWGITZEPE-MRXNPFEDSA-N 2 0 293.455 1.970 10 0 CDAERP CCNC(=O)C[C@@H]1CCCC[N@@H+]1CCCn1ccnc1 ZINC000284348441 196036861 /nfs/dbraw/zinc/03/68/61/196036861.db2.gz CPZQYSMOWQDAQU-AWEZNQCLSA-N 2 0 278.400 1.654 10 0 CDAERP O=C(C[C@H]1CC[NH2+]C1)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000662668230 411818229 /nfs/dbraw/zinc/81/82/29/411818229.db2.gz JDXJEOXNGZYJPO-ZIAGYGMSSA-N 2 0 279.428 1.509 10 0 CDAERP CCNC(=O)[C@H](C)[NH2+][C@H](C)CCC[NH+](CC)CC ZINC000020309019 171143213 /nfs/dbraw/zinc/14/32/13/171143213.db2.gz LQDKDMPXPJKGRD-OLZOCXBDSA-N 2 0 257.422 1.611 10 0 CDAERP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)C(=O)NC1CC1 ZINC000020308959 171143633 /nfs/dbraw/zinc/14/36/33/171143633.db2.gz YLTNZOLDEGYTRV-OLZOCXBDSA-N 2 0 269.433 1.754 10 0 CDAERP C[NH+](C)[C@@H](CC[NH3+])COc1cccc2cccnc21 ZINC000020401649 171182618 /nfs/dbraw/zinc/18/26/18/171182618.db2.gz LAVVQKOAOFOLIV-ZDUSSCGKSA-N 2 0 259.353 1.893 10 0 CDAERP CCN(CC)[C@@]1(C[NH3+])CC[N@H+](Cc2ccccc2)C1 ZINC000020596058 171264894 /nfs/dbraw/zinc/26/48/94/171264894.db2.gz AJCQLQLYKYEVTN-MRXNPFEDSA-N 2 0 261.413 1.932 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000653213977 412141252 /nfs/dbraw/zinc/14/12/52/412141252.db2.gz BBBWIWSRCFFIJF-BXUZGUMPSA-N 2 0 261.369 1.020 10 0 CDAERP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccccc1C[NH2+]C ZINC000653214358 412142573 /nfs/dbraw/zinc/14/25/73/412142573.db2.gz QWYNGAKBPAKFEF-HUUCEWRRSA-N 2 0 275.396 1.410 10 0 CDAERP CCO[C@@H]1CN(C(=O)c2ccc([C@H](C)[NH3+])cc2)C[C@H]1C[NH3+] ZINC000653248170 412175335 /nfs/dbraw/zinc/17/53/35/412175335.db2.gz GQMKYBDGOGPEBD-NILFDRSVSA-N 2 0 291.395 1.142 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000662826852 413558615 /nfs/dbraw/zinc/55/86/15/413558615.db2.gz NSDPEHPZNUUKHC-BBBYJDLNSA-N 2 0 281.444 1.727 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)CC1([NH3+])CCC1 ZINC000664718311 413611646 /nfs/dbraw/zinc/61/16/46/413611646.db2.gz CCIUPAMAKLOPBF-UHFFFAOYSA-N 2 0 255.406 1.495 10 0 CDAERP C[NH+](C)CCC[C@@H]1CN(C(=O)CCC(C)(C)[NH3+])CCO1 ZINC000662973730 413764696 /nfs/dbraw/zinc/76/46/96/413764696.db2.gz URBSVWGQNPIISY-CYBMUJFWSA-N 2 0 285.432 1.073 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661149848 413837832 /nfs/dbraw/zinc/83/78/32/413837832.db2.gz YBRSLTJGFSLFJK-CABCVRRESA-N 2 0 277.416 1.474 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCN(c3ccccn3)C2)C1 ZINC000654951156 413839122 /nfs/dbraw/zinc/83/91/22/413839122.db2.gz LQMWXPXQVSEHTC-KGLIPLIRSA-N 2 0 288.395 1.118 10 0 CDAERP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)[C@@H]1CCC[NH2+]1 ZINC000665233474 413959692 /nfs/dbraw/zinc/95/96/92/413959692.db2.gz ISBNNFNIBGYXGE-PBHICJAKSA-N 3 0 295.471 1.608 10 0 CDAERP CC(=O)NCc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000665234598 413959993 /nfs/dbraw/zinc/95/99/93/413959993.db2.gz GRBQCJYNQBLWBQ-DLBZAZTESA-N 2 0 289.423 1.930 10 0 CDAERP C[C@@H]1C[N@H+](C)C[C@H]1N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665251335 413978257 /nfs/dbraw/zinc/97/82/57/413978257.db2.gz NCWLBVDLFDTJRU-MWQQHZPXSA-N 2 0 273.424 1.672 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000659619733 414028482 /nfs/dbraw/zinc/02/84/82/414028482.db2.gz SKIHVENMPZOJTB-UONOGXRCSA-N 2 0 284.448 1.484 10 0 CDAERP C[NH+]1CCN(CC[NH2+]Cc2ccc(Cl)o2)CC1 ZINC000037496817 173235774 /nfs/dbraw/zinc/23/57/74/173235774.db2.gz LKXUWTLCLFMCTN-UHFFFAOYSA-N 2 0 257.765 1.270 10 0 CDAERP COC(C)(C)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657376068 414251109 /nfs/dbraw/zinc/25/11/09/414251109.db2.gz BFIMJPKOVTWCOP-UHFFFAOYSA-N 2 0 260.341 1.782 10 0 CDAERP C[C@@H](O)C[C@@H](C)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657371712 414252583 /nfs/dbraw/zinc/25/25/83/414252583.db2.gz MBKLMLQINLILHA-CHWSQXEVSA-N 2 0 274.368 1.764 10 0 CDAERP CCN(C(=O)NC1CC[NH+](CC)CC1)[C@H]1CC[N@H+](CC)C1 ZINC000663454110 414263626 /nfs/dbraw/zinc/26/36/26/414263626.db2.gz DPILJQHLHZGPMB-HNNXBMFYSA-N 2 0 296.459 1.596 10 0 CDAERP OCC[C@H]1CSCC[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662257975 414592569 /nfs/dbraw/zinc/59/25/69/414592569.db2.gz HDYZMIUQWYQACP-HNNXBMFYSA-N 2 0 292.448 1.632 10 0 CDAERP CCc1nnc([C@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)[nH]1 ZINC000662272220 414605430 /nfs/dbraw/zinc/60/54/30/414605430.db2.gz CTNKGDWPQLGSJM-SDDRHHMPSA-N 2 0 263.389 1.360 10 0 CDAERP CO[C@@H](C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)C1CCC1 ZINC000662275827 414607501 /nfs/dbraw/zinc/60/75/01/414607501.db2.gz FBEGAABRJHLTDS-GJZGRUSLSA-N 2 0 252.402 1.877 10 0 CDAERP CCN1CCC[C@@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000040502622 174298954 /nfs/dbraw/zinc/29/89/54/174298954.db2.gz XMHXZWYXFSDEGR-DZGCQCFKSA-N 2 0 253.434 1.791 10 0 CDAERP C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000040717009 174384635 /nfs/dbraw/zinc/38/46/35/174384635.db2.gz HOZUFMREPAYZSO-LBPRGKRZSA-N 2 0 261.369 1.816 10 0 CDAERP CC1(C)CC(Nc2nc[nH+]c(NN)c2N)CC(C)(C)[NH2+]1 ZINC000040760788 174397073 /nfs/dbraw/zinc/39/70/73/174397073.db2.gz IAHNSMBZEQWIOO-UHFFFAOYSA-N 2 0 279.392 1.066 10 0 CDAERP O=C(NCC[NH+]1CCCCCC1)[C@@H]1CCCC[NH2+]1 ZINC000040768198 174398616 /nfs/dbraw/zinc/39/86/16/174398616.db2.gz GXICLHYPLQLINZ-ZDUSSCGKSA-N 2 0 253.390 1.121 10 0 CDAERP CC[C@@H]([NH3+])[C@H](c1cccnc1)N1CCC[N@H+](C)CC1 ZINC000043345963 175017033 /nfs/dbraw/zinc/01/70/33/175017033.db2.gz LUJHTOCAQYTJDE-CABCVRRESA-N 2 0 262.401 1.498 10 0 CDAERP C[C@H]([NH3+])[C@H](N1CCC(C[NH+](C)C)CC1)C(F)(F)F ZINC000043378692 175030940 /nfs/dbraw/zinc/03/09/40/175030940.db2.gz UHOSBQBTDWPQCP-ONGXEEELSA-N 2 0 267.339 1.538 10 0 CDAERP CCOC(=O)C[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000043618133 175080180 /nfs/dbraw/zinc/08/01/80/175080180.db2.gz KUFZQRFNRKFFRN-NEPJUHHUSA-N 2 0 254.374 1.402 10 0 CDAERP CC[NH2+][C@@H]1CCOC[C@@H]1N1CC[NH+](C(C)(C)C)CC1 ZINC000043965648 175126907 /nfs/dbraw/zinc/12/69/07/175126907.db2.gz ZPESBSKWFIESMM-KGLIPLIRSA-N 2 0 269.433 1.170 10 0 CDAERP CCC[C@@H]([NH2+]C)[C@H](CC)N1CC[NH+](C2CC2)CC1 ZINC000043967589 175128382 /nfs/dbraw/zinc/12/83/82/175128382.db2.gz MHLDWZIZKVRXFF-CABCVRRESA-N 2 0 253.434 1.933 10 0 CDAERP C[NH2+][C@H]1CCCC[C@@H]1N1CC[NH+](CC2CC2)CC1 ZINC000043967881 175128899 /nfs/dbraw/zinc/12/88/99/175128899.db2.gz RSVNFKVCJDDEGM-GJZGRUSLSA-N 2 0 251.418 1.545 10 0 CDAERP CC[NH2+][C@@H]1CCC[C@H]1N(C)C1CC[NH+](CC)CC1 ZINC000043978270 175133583 /nfs/dbraw/zinc/13/35/83/175133583.db2.gz RCKUCJFDIQMHOX-HUUCEWRRSA-N 2 0 253.434 1.933 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)C2(C[NH3+])CCCCCC2)C1 ZINC000044763029 175247064 /nfs/dbraw/zinc/24/70/64/175247064.db2.gz OVNUFZDCYGYKHD-CQSZACIVSA-N 2 0 281.444 1.744 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)C1(C[NH3+])CCCCC1 ZINC000044763701 175247991 /nfs/dbraw/zinc/24/79/91/175247991.db2.gz LXJJVZBYJFCHMM-CYBMUJFWSA-N 2 0 269.433 1.598 10 0 CDAERP [NH3+]C[C@@H](Cc1ccccc1)C(=O)N[C@H]1C[NH+]2CCC1CC2 ZINC000044794348 175254797 /nfs/dbraw/zinc/25/47/97/175254797.db2.gz ZHLNUVMTMOSGNK-CVEARBPZSA-N 2 0 287.407 1.014 10 0 CDAERP [NH3+]C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044808505 175256939 /nfs/dbraw/zinc/25/69/39/175256939.db2.gz HDYSMUDDEPDQON-HUUCEWRRSA-N 2 0 287.407 1.157 10 0 CDAERP CCOC(=O)C[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000045134755 175313093 /nfs/dbraw/zinc/31/30/93/175313093.db2.gz OEYIRVWNDPAAHZ-STQMWFEESA-N 2 0 256.390 1.648 10 0 CDAERP COC(=O)[C@](C)(C[NH+]1CCC(C[NH+](C)C)CC1)NC(C)C ZINC000045277044 175346633 /nfs/dbraw/zinc/34/66/33/175346633.db2.gz DGMDQLRPXPHXDX-INIZCTEOSA-N 2 0 299.459 1.190 10 0 CDAERP CCC[NH+](CCC)CCC[C@@](C)([NH2+]CC)C(N)=O ZINC000045378618 175367875 /nfs/dbraw/zinc/36/78/75/175367875.db2.gz XZWYVIJFMDRPQY-CQSZACIVSA-N 2 0 257.422 1.742 10 0 CDAERP CC[N@H+](CCCC[C@@](C)([NH2+]C(C)C)C(N)=O)C1CC1 ZINC000045386430 175372659 /nfs/dbraw/zinc/37/26/59/175372659.db2.gz IGGQBXRBACMSJS-OAHLLOKOSA-N 2 0 269.433 1.883 10 0 CDAERP CCC[N@H+](CC)CCCC[C@@](C)([NH2+]CC)C(N)=O ZINC000045386921 175372862 /nfs/dbraw/zinc/37/28/62/175372862.db2.gz FULQSHZMPVXVAF-CQSZACIVSA-N 2 0 257.422 1.742 10 0 CDAERP CC[NH2+][C@@](C)(CCCC[N@@H+]1CCOC[C@@H]1CC)C(N)=O ZINC000045418930 175377145 /nfs/dbraw/zinc/37/71/45/175377145.db2.gz FVDLSQKORDZATF-ZFWWWQNUSA-N 2 0 285.432 1.121 10 0 CDAERP CC(C)[NH2+][C@H]1CCCN(CC[NH+]2CCCCC2)C1=O ZINC000071032248 176023445 /nfs/dbraw/zinc/02/34/45/176023445.db2.gz GNIZEIJYJWKBBT-AWEZNQCLSA-N 2 0 267.417 1.461 10 0 CDAERP CC(C)[NH2+][C@H]1CCCN([C@H]2CC[N@@H+](C3CC3)C2)C1=O ZINC000071034058 176024023 /nfs/dbraw/zinc/02/40/23/176024023.db2.gz DNGDCVLFWQMQIH-KBPBESRZSA-N 2 0 265.401 1.212 10 0 CDAERP CCC[NH2+][C@H]1CCN([C@H](C)C[NH+]2CCCC2)C1=O ZINC000071033582 176024276 /nfs/dbraw/zinc/02/42/76/176024276.db2.gz FMWSDTRHTCQAGT-OLZOCXBDSA-N 2 0 253.390 1.071 10 0 CDAERP CC[NH2+][C@@H]1CCCN(CC(C)(C)C[NH+](C)C)C1=O ZINC000071036141 176025165 /nfs/dbraw/zinc/02/51/65/176025165.db2.gz RAOYDQYDJMZNEV-GFCCVEGCSA-N 2 0 255.406 1.175 10 0 CDAERP COC(C)(C)C[C@@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071148966 176044383 /nfs/dbraw/zinc/04/43/83/176044383.db2.gz FHCKVIUVGGQLGU-CYBMUJFWSA-N 2 0 257.422 1.027 10 0 CDAERP C[C@@H]([NH3+])[C@H](c1cccnc1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188127 176063102 /nfs/dbraw/zinc/06/31/02/176063102.db2.gz UUCFEFGYTGURFH-UMVBOHGHSA-N 2 0 262.401 1.353 10 0 CDAERP COc1ccc(C[NH3+])cc1CN(C)C[C@H]1CC[N@H+](C)C1 ZINC000071188930 176063908 /nfs/dbraw/zinc/06/39/08/176063908.db2.gz SEWSKHRLWJXNFC-AWEZNQCLSA-N 2 0 277.412 1.537 10 0 CDAERP CN(C[C@H]1CC[N@H+](C)C1)C(=O)CCC1CC[NH2+]CC1 ZINC000071189785 176065570 /nfs/dbraw/zinc/06/55/70/176065570.db2.gz DQIGPNRIHMAQJT-AWEZNQCLSA-N 2 0 267.417 1.176 10 0 CDAERP CCOCCC[NH2+]C[C@H](C)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192313 176073666 /nfs/dbraw/zinc/07/36/66/176073666.db2.gz SIUDLZOZZAOPLU-LSDHHAIUSA-N 2 0 271.449 1.275 10 0 CDAERP C[C@H]1CCC[C@H](C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)[C@@H]1[NH3+] ZINC000071193274 176075468 /nfs/dbraw/zinc/07/54/68/176075468.db2.gz HTZZBZSDOYZENR-RFQIPJPRSA-N 2 0 267.417 1.160 10 0 CDAERP Nc1ccn(CC[NH+]2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000071378297 176143024 /nfs/dbraw/zinc/14/30/24/176143024.db2.gz GVHSBMSCVPQKAH-UHFFFAOYSA-N 2 0 277.416 1.273 10 0 CDAERP CC[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]C(C)C ZINC001665845104 1173072992 /nfs/dbraw/zinc/07/29/92/1173072992.db2.gz XEDYQDGODJQFOJ-STQMWFEESA-N 2 0 255.406 1.221 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)CC[C@H](C)CC[NH3+] ZINC000079119748 177437606 /nfs/dbraw/zinc/43/76/06/177437606.db2.gz AOPRCUNTZJUONM-QWHCGFSZSA-N 2 0 257.422 1.598 10 0 CDAERP C[C@]1(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CCC[NH2+]1 ZINC000079518256 177513164 /nfs/dbraw/zinc/51/31/64/177513164.db2.gz APUMKSWNBNPXHC-DZGCQCFKSA-N 2 0 265.401 1.215 10 0 CDAERP COc1cc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc2c1OCCO2 ZINC000415046872 263257944 /nfs/dbraw/zinc/25/79/44/263257944.db2.gz VLVQWWHDACEQRC-DGCLKSJQSA-N 2 0 292.379 1.683 10 0 CDAERP C[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C[C@@H]1CCCCO1 ZINC000662251364 423794179 /nfs/dbraw/zinc/79/41/79/423794179.db2.gz AQNVNNBIVSHIRG-QWHCGFSZSA-N 2 0 254.374 1.008 10 0 CDAERP CC(C)([NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1)c1nccs1 ZINC000662261735 423805145 /nfs/dbraw/zinc/80/51/45/423805145.db2.gz AJYYQRNODZMUNX-JTQLQIEISA-N 2 0 267.398 1.489 10 0 CDAERP COC[C@H](C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)OC ZINC000662263648 423805385 /nfs/dbraw/zinc/80/53/85/423805385.db2.gz CIINFNKBIMOUAP-MELADBBJSA-N 2 0 256.390 1.112 10 0 CDAERP [NH3+]CC1(CCNC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000652182959 424008462 /nfs/dbraw/zinc/00/84/62/424008462.db2.gz IZTREFCUAZALOB-CQSZACIVSA-N 2 0 294.443 1.432 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000652225007 424082503 /nfs/dbraw/zinc/08/25/03/424082503.db2.gz NBXYWPOWYPWMOI-KBPBESRZSA-N 2 0 284.448 1.343 10 0 CDAERP C[N@@H+]1CCC[C@@H](CCNC(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652199769 424048735 /nfs/dbraw/zinc/04/87/35/424048735.db2.gz BQKZAJLGBCQWIR-ZDUSSCGKSA-N 2 0 282.432 1.147 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)C1 ZINC000653122866 424314164 /nfs/dbraw/zinc/31/41/64/424314164.db2.gz GEMOQEDFQOOJGG-NUEKZKHPSA-N 2 0 293.455 1.707 10 0 CDAERP COCCCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652363090 424315343 /nfs/dbraw/zinc/31/53/43/424315343.db2.gz XPCUENRSRAJRGK-KFWWJZLASA-N 2 0 270.417 1.774 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000123699571 424399541 /nfs/dbraw/zinc/39/95/41/424399541.db2.gz JHBPEWQUDFSTSM-CYBMUJFWSA-N 2 0 255.406 1.349 10 0 CDAERP CCCN(C(=O)NCC[C@@H]([NH3+])C(C)C)C1CC[NH2+]CC1 ZINC000659619417 424415386 /nfs/dbraw/zinc/41/53/86/424415386.db2.gz ONYQTAKRAMVGHM-CQSZACIVSA-N 2 0 284.448 1.533 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000659624251 424433469 /nfs/dbraw/zinc/43/34/69/424433469.db2.gz PUWZUZWAZFIBNM-MELADBBJSA-N 2 0 284.448 1.484 10 0 CDAERP COC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C1CCOCC1 ZINC000665236868 424470129 /nfs/dbraw/zinc/47/01/29/424470129.db2.gz VQGMCZNIGDFCKF-JONQDZQNSA-N 2 0 282.428 1.406 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000659298271 424570068 /nfs/dbraw/zinc/57/00/68/424570068.db2.gz YPCYOXINEMTHSH-AWEZNQCLSA-N 2 0 277.368 1.023 10 0 CDAERP C(CC1CC[NH2+]CC1)C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000110371304 424616425 /nfs/dbraw/zinc/61/64/25/424616425.db2.gz BPMAPKVHXOHVNA-INIZCTEOSA-N 2 0 281.444 1.173 10 0 CDAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCCSC1 ZINC000186566299 270264327 /nfs/dbraw/zinc/26/43/27/270264327.db2.gz APAXBUNQRCBEAV-KGLIPLIRSA-N 2 0 271.474 1.498 10 0 CDAERP C[C@H]1CN(c2cc[nH+]c3ccccc32)CC[N@@H+]1CCO ZINC000189396548 270277961 /nfs/dbraw/zinc/27/79/61/270277961.db2.gz ISYIDLYEEIOCAJ-ZDUSSCGKSA-N 2 0 271.364 1.738 10 0 CDAERP CC(C)(C[NH2+][C@H]1CCC[C@H]1[NH3+])C(=O)N1CCCC1 ZINC000530221523 271163187 /nfs/dbraw/zinc/16/31/87/271163187.db2.gz FSBRAYCBXUVKMJ-NEPJUHHUSA-N 2 0 253.390 1.104 10 0 CDAERP COc1ccc(CC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cn1 ZINC000530221882 271163536 /nfs/dbraw/zinc/16/35/36/271163536.db2.gz PKDBGIFVYKUNPG-UONOGXRCSA-N 2 0 263.385 1.740 10 0 CDAERP C(C[NH+]1CCCCCC1)N[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422801431 275391201 /nfs/dbraw/zinc/39/12/01/275391201.db2.gz BXGCVYWWKQPBSK-HOTGVXAUSA-N 2 0 281.444 1.219 10 0 CDAERP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423394125 275994853 /nfs/dbraw/zinc/99/48/53/275994853.db2.gz PTGJHDYKFBFJMB-YNEHKIRRSA-N 2 0 293.377 1.847 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H](N[C@@H]2C[NH+](C)C[C@@H]2C)[C@H](C)C1 ZINC000358375002 276316044 /nfs/dbraw/zinc/31/60/44/276316044.db2.gz GOEJTOSVGXMUDQ-VVLHAWIVSA-N 2 0 297.487 1.663 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000367602980 276357842 /nfs/dbraw/zinc/35/78/42/276357842.db2.gz XKOYGYMSKCYLED-OCCSQVGLSA-N 2 0 280.416 1.734 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCC(=O)N1CCCCCC1 ZINC000422841618 277245682 /nfs/dbraw/zinc/24/56/82/277245682.db2.gz DILKTEUWZDXAAW-CQSZACIVSA-N 2 0 285.432 1.123 10 0 CDAERP C[NH2+]C[C@@H](C)C[NH2+]Cc1cnc2nc(C)cc(C)n12 ZINC000414840292 277274894 /nfs/dbraw/zinc/27/48/94/277274894.db2.gz MYFHEIKOXVECRG-SNVBAGLBSA-N 2 0 261.373 1.291 10 0 CDAERP COc1c[nH+]ccc1N1CC[NH+](CC2CCOCC2)CC1 ZINC000355646909 277479431 /nfs/dbraw/zinc/47/94/31/277479431.db2.gz BWLAVGUIOZQWEA-UHFFFAOYSA-N 2 0 291.395 1.639 10 0 CDAERP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000373039280 277903025 /nfs/dbraw/zinc/90/30/25/277903025.db2.gz BMFMONTZMNSQEH-KGLIPLIRSA-N 2 0 267.417 1.447 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC[NH2+]1 ZINC000262821779 278022948 /nfs/dbraw/zinc/02/29/48/278022948.db2.gz GVIHYGIOIVVXTK-ITGHMWBKSA-N 2 0 265.401 1.164 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000417832200 278220996 /nfs/dbraw/zinc/22/09/96/278220996.db2.gz KXFHCCXSMDFYLD-QWHCGFSZSA-N 2 0 267.417 1.398 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+][C@H](C)c1cnccc1N ZINC000423041935 279109222 /nfs/dbraw/zinc/10/92/22/279109222.db2.gz YDBOYFODQOQMAJ-CYBMUJFWSA-N 2 0 280.416 1.503 10 0 CDAERP CC[NH+]1CCC(N[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000353448670 279262592 /nfs/dbraw/zinc/26/25/92/279262592.db2.gz OAFNJOKXQFOWCM-BZUAXINKSA-N 2 0 265.445 1.933 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000226738948 279321774 /nfs/dbraw/zinc/32/17/74/279321774.db2.gz SCIDFHXLAMMVGG-UPJWGTAASA-N 2 0 253.390 1.104 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CCC[C@H]2[NH3+])[C@@H](C)C1 ZINC000261839226 279396464 /nfs/dbraw/zinc/39/64/64/279396464.db2.gz UWCZXPIJXIGYTH-BYNSBNAKSA-N 2 0 281.444 1.693 10 0 CDAERP CC(C)[NH+]1CCN(CCC[NH2+][C@H]2CCOC[C@@H]2C)CC1 ZINC000337483762 279510539 /nfs/dbraw/zinc/51/05/39/279510539.db2.gz XKJJVBOLMYTYNN-HOTGVXAUSA-N 2 0 283.460 1.417 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)NCC[NH+]2CCCCC2)C1 ZINC000194136557 280025011 /nfs/dbraw/zinc/02/50/11/280025011.db2.gz ZFSKQRNSODIZBV-AWEZNQCLSA-N 2 0 282.432 1.256 10 0 CDAERP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000132001396 280280901 /nfs/dbraw/zinc/28/09/01/280280901.db2.gz HEPPLDMHVOVQHX-XGUBFFRZSA-N 2 0 281.444 1.739 10 0 CDAERP CC1(C)CN(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC[C@H]1[NH3+] ZINC000334927056 281175225 /nfs/dbraw/zinc/17/52/25/281175225.db2.gz DXIJICGAPHTGRG-CHWSQXEVSA-N 2 0 296.459 1.533 10 0 CDAERP C[NH+](C)CCCC1CC[NH+](C[C@H](O)CC2(O)CCC2)CC1 ZINC000528435279 281228177 /nfs/dbraw/zinc/22/81/77/281228177.db2.gz ZVZYMHJOZOGGKZ-MRXNPFEDSA-N 2 0 298.471 1.706 10 0 CDAERP C[C@@H]1C[NH2+]CCN1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000334959777 288317225 /nfs/dbraw/zinc/31/72/25/288317225.db2.gz VTEFGVGYJIMBFS-CYBMUJFWSA-N 2 0 294.443 1.397 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000418602407 288323799 /nfs/dbraw/zinc/32/37/99/288323799.db2.gz VPZPPHLKGKUDHD-RBSFLKMASA-N 2 0 294.443 1.254 10 0 CDAERP CCOCCN1CCN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1CC ZINC000152201696 289122030 /nfs/dbraw/zinc/12/20/30/289122030.db2.gz DMGRUNAMGNNZQY-HUUCEWRRSA-N 2 0 299.459 1.286 10 0 CDAERP C[NH+](C)C[C@@H]1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000431822765 289193230 /nfs/dbraw/zinc/19/32/30/289193230.db2.gz OQUYWCSBTXRMDE-LSDHHAIUSA-N 2 0 281.444 1.661 10 0 CDAERP C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCCCCC1 ZINC000357921876 289256166 /nfs/dbraw/zinc/25/61/66/289256166.db2.gz SKINCGBKARAFHN-ZBFHGGJFSA-N 2 0 293.455 1.946 10 0 CDAERP C[C@H](C(=O)N[C@H]1CC[NH2+]C[C@H]1C)[NH+]1CCCCCC1 ZINC000262847557 289374776 /nfs/dbraw/zinc/37/47/76/289374776.db2.gz RYTTVLJDYTZMJK-MCIONIFRSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NCCCC[NH+]2CCC[C@H](C)C2)C1 ZINC000552996865 290089009 /nfs/dbraw/zinc/08/90/09/290089009.db2.gz JTFYRJYLPNVKCR-HOTGVXAUSA-N 2 0 295.471 1.957 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000423016316 293097290 /nfs/dbraw/zinc/09/72/90/293097290.db2.gz SUZIYMARYCRDBE-GVDBMIGSSA-N 2 0 291.439 1.775 10 0 CDAERP O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000562809796 293201108 /nfs/dbraw/zinc/20/11/08/293201108.db2.gz KSDGZIHFHYAUBH-IVSAIRAKSA-N 2 0 291.439 1.509 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)cc1 ZINC000568264789 294003789 /nfs/dbraw/zinc/00/37/89/294003789.db2.gz WFZKUWVWJNGZEH-PJODQICGSA-N 2 0 273.380 1.322 10 0 CDAERP CC(C)[C@H](C(=O)N1CC[C@]2(C1)CCC[NH2+]C2)[C@@H](C)[NH3+] ZINC000568381323 294024135 /nfs/dbraw/zinc/02/41/35/294024135.db2.gz GQEJSGTUMLORQQ-VNHYZAJKSA-N 2 0 267.417 1.208 10 0 CDAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@H]1CCC[C@@H](F)C1 ZINC000570389993 294228863 /nfs/dbraw/zinc/22/88/63/294228863.db2.gz IHYKLTYQXBKGNZ-UONOGXRCSA-N 2 0 287.423 1.467 10 0 CDAERP NC(=O)C[C@H]1CCCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420304461 295058365 /nfs/dbraw/zinc/05/83/65/295058365.db2.gz ONTYRYFZGPXLII-CHWSQXEVSA-N 2 0 253.390 1.106 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000574924056 295077811 /nfs/dbraw/zinc/07/78/11/295077811.db2.gz RGRBSSPCEWCEBS-NUEKZKHPSA-N 2 0 287.407 1.387 10 0 CDAERP [NH3+]CCN(CCc1ccccc1)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000261727326 295232821 /nfs/dbraw/zinc/23/28/21/295232821.db2.gz MHQNITHWMHLMJW-HUUCEWRRSA-N 2 0 275.396 1.144 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000416824855 297109153 /nfs/dbraw/zinc/10/91/53/297109153.db2.gz PQZXXUVZEQFQAM-ZIAGYGMSSA-N 2 0 296.459 1.548 10 0 CDAERP COCCC[N@H+](C)C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001669892269 1173626792 /nfs/dbraw/zinc/62/67/92/1173626792.db2.gz BXBXQJNWLKXKES-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC ZINC001670118564 1173656113 /nfs/dbraw/zinc/65/61/13/1173656113.db2.gz TVJGHWVGQMYCCD-ZDUSSCGKSA-N 2 0 255.406 1.319 10 0 CDAERP CC1CC(C[NH2+]CCCN(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001670223791 1173663625 /nfs/dbraw/zinc/66/36/25/1173663625.db2.gz STINBJABSTURJG-UHFFFAOYSA-N 2 0 295.471 1.812 10 0 CDAERP Cc1cc(C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cs1 ZINC000295331945 533701160 /nfs/dbraw/zinc/70/11/60/533701160.db2.gz ZOPDJGLJPQOFMH-LBPRGKRZSA-N 2 0 267.442 1.782 10 0 CDAERP CCCC[C@H](C[NH3+])NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000563625203 316346386 /nfs/dbraw/zinc/34/63/86/316346386.db2.gz UKALYGSCVGLXPT-KGLIPLIRSA-N 2 0 269.433 1.885 10 0 CDAERP CC(C)(C)[NH2+]CCN1CCc2ccccc2[C@H]1C[NH3+] ZINC000563887267 316390550 /nfs/dbraw/zinc/39/05/50/316390550.db2.gz FLVLBWCFMUDIKF-OAHLLOKOSA-N 2 0 261.413 1.933 10 0 CDAERP C[C@@H]1CCC[C@H](C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)[C@H]1C ZINC000575916913 317038217 /nfs/dbraw/zinc/03/82/17/317038217.db2.gz BEHSSRBZIPZMDT-TWMKSMIVSA-N 2 0 297.487 1.257 10 0 CDAERP COc1cc(C)c(C[NH2+][C@H](C)C[C@H](C)[NH3+])c(C)n1 ZINC000575988774 317053096 /nfs/dbraw/zinc/05/30/96/317053096.db2.gz YREYQCDLLMLXDW-WDEREUQCSA-N 2 0 251.374 1.922 10 0 CDAERP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000576293003 317113056 /nfs/dbraw/zinc/11/30/56/317113056.db2.gz DRYAVDLECVGBDN-IHRRRGAJSA-N 2 0 282.432 1.238 10 0 CDAERP CNC(=O)C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000578882365 324048218 /nfs/dbraw/zinc/04/82/18/324048218.db2.gz KLDYNGBRSWYKNE-ILXRZTDVSA-N 2 0 275.396 1.723 10 0 CDAERP [NH3+]C1(CNC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CCCCCC1 ZINC000580540236 324490606 /nfs/dbraw/zinc/49/06/06/324490606.db2.gz RXCORHQDLJGPPP-ZIAGYGMSSA-N 2 0 294.443 1.432 10 0 CDAERP CC[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001673923304 1173898681 /nfs/dbraw/zinc/89/86/81/1173898681.db2.gz IMKVZJXBUVGHFV-QWHCGFSZSA-N 2 0 255.406 1.175 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+](C)CC2=CCCCC2)C1 ZINC001480912849 1159090680 /nfs/dbraw/zinc/09/06/80/1159090680.db2.gz DIPPXSUCAIEALP-OAHLLOKOSA-N 2 0 293.455 1.877 10 0 CDAERP CC[C@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)C1CCCC1 ZINC000584108870 326974992 /nfs/dbraw/zinc/97/49/92/326974992.db2.gz XWRJREKYEIRBTQ-CVEARBPZSA-N 2 0 283.460 1.153 10 0 CDAERP CC(C)C[NH2+][C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001731592078 1159312165 /nfs/dbraw/zinc/31/21/65/1159312165.db2.gz KLXIXHAZOACBHQ-TZMCWYRMSA-N 2 0 267.417 1.079 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CC ZINC001698824156 1175950949 /nfs/dbraw/zinc/95/09/49/1175950949.db2.gz JMOZBVXAFRWBPA-CHWSQXEVSA-N 2 0 255.406 1.317 10 0 CDAERP CC/C=C/CC[N@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001480947362 1159401759 /nfs/dbraw/zinc/40/17/59/1159401759.db2.gz RDNLTBADERYYIF-SNAWJCMRSA-N 2 0 267.417 1.487 10 0 CDAERP CCC[NH2+]CC1(NC(=O)[C@@H]2CCC[N@@H+]2C)CCCC1 ZINC001732226614 1159762463 /nfs/dbraw/zinc/76/24/63/1159762463.db2.gz ATGJQBDRJAERPX-ZDUSSCGKSA-N 2 0 267.417 1.509 10 0 CDAERP C[C@H](C[NH2+]CCCO)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001268064988 1159771173 /nfs/dbraw/zinc/77/11/73/1159771173.db2.gz XDXKHKFJALFSAA-CQSZACIVSA-N 2 0 299.459 1.070 10 0 CDAERP CC[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](CCCCOC)C1)[NH+](C)C ZINC001481746842 1159928115 /nfs/dbraw/zinc/92/81/15/1159928115.db2.gz JJODQHBLERYKET-CABCVRRESA-N 2 0 299.459 1.286 10 0 CDAERP CCOCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001671256476 1160003716 /nfs/dbraw/zinc/00/37/16/1160003716.db2.gz GJDGLYHSGIBQHK-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CCC[C@@H](C)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000668740886 482224490 /nfs/dbraw/zinc/22/44/90/482224490.db2.gz YEYXAPZRSMWUGZ-UKRRQHHQSA-N 2 0 254.418 1.954 10 0 CDAERP C[C@H]1C[C@@H](NC(=O)CC2([NH3+])CC2)C[N@@H+]1Cc1ccccc1 ZINC000398120369 482245403 /nfs/dbraw/zinc/24/54/03/482245403.db2.gz ASYJKDJAJCUKDD-DZGCQCFKSA-N 2 0 287.407 1.647 10 0 CDAERP C[C@H]1C[C@H](NC(=O)c2ccccc2CC[NH3+])C[N@@H+]1C1CC1 ZINC000653123615 482419632 /nfs/dbraw/zinc/41/96/32/482419632.db2.gz AFDHDHLOCZYSKA-JSGCOSHPSA-N 2 0 287.407 1.543 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CSC[C@H]1C ZINC000668476180 482450474 /nfs/dbraw/zinc/45/04/74/482450474.db2.gz ZGUJHMINBNGOAE-HZSPNIEDSA-N 2 0 273.490 1.600 10 0 CDAERP [NH3+]C[C@@H](C(=O)NC[C@@H]1CCCC[NH2+]1)c1ccc(F)cc1 ZINC000669509635 482515494 /nfs/dbraw/zinc/51/54/94/482515494.db2.gz KAKKPGMQOCPGSS-UONOGXRCSA-N 2 0 279.359 1.126 10 0 CDAERP CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000669529823 482599299 /nfs/dbraw/zinc/59/92/99/482599299.db2.gz DKTNQSPYBUUHIN-MGPQQGTHSA-N 2 0 282.432 1.158 10 0 CDAERP COC[C@H](C)C[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000682158231 482614993 /nfs/dbraw/zinc/61/49/93/482614993.db2.gz IZFHLMKEEIDKSV-KGLIPLIRSA-N 2 0 269.433 1.027 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]1[NH3+])C1CCCCC1 ZINC000237144147 482637458 /nfs/dbraw/zinc/63/74/58/482637458.db2.gz DEFDFBVRGQRFNM-KGLIPLIRSA-N 2 0 267.417 1.495 10 0 CDAERP CCC[N@@H+]1CC[C@@H](NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)C1 ZINC000659612376 482650055 /nfs/dbraw/zinc/65/00/55/482650055.db2.gz WHKDXAUXOXGGTJ-TZMCWYRMSA-N 2 0 280.416 1.007 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1)[NH+](CC)CC ZINC000684174921 482674676 /nfs/dbraw/zinc/67/46/76/482674676.db2.gz NYTJEEXSYQGNFO-GDBMZVCRSA-N 2 0 299.459 1.022 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC/C=C/C[NH3+] ZINC000669365951 482746797 /nfs/dbraw/zinc/74/67/97/482746797.db2.gz MYMLOSUNWDFKSR-XGACYXMMSA-N 2 0 282.432 1.455 10 0 CDAERP O=C(NC1CC([NH+]2CCCCC2)C1)N[C@H]1CCC[NH2+]CC1 ZINC000669575127 482779190 /nfs/dbraw/zinc/77/91/90/482779190.db2.gz GGSQUHJUYWNOEH-NFOMZHRRSA-N 2 0 294.443 1.445 10 0 CDAERP C[NH+]1CCC(N2CC[C@@H]([NH2+]CC3(F)CC3)C2)CC1 ZINC000684378690 482781857 /nfs/dbraw/zinc/78/18/57/482781857.db2.gz HUVZYTZEKPNOMF-GFCCVEGCSA-N 2 0 255.381 1.247 10 0 CDAERP O=C(NC[C@@H]1CCCC[NH2+]1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000237914429 482784298 /nfs/dbraw/zinc/78/42/98/482784298.db2.gz HEYZWUDWOXXCPV-XUXIUFHCSA-N 2 0 265.401 1.165 10 0 CDAERP C[C@H]([NH2+][C@H]1CCC[C@@H](CO)C1)C1CC[NH+](C)CC1 ZINC000380726240 482870494 /nfs/dbraw/zinc/87/04/94/482870494.db2.gz IBNPEDLLOKZPFP-GUTXKFCHSA-N 2 0 254.418 1.857 10 0 CDAERP C[NH+](C)Cc1cccc(C(=O)NC2CC([NH+](C)C)C2)c1 ZINC000670403065 482892382 /nfs/dbraw/zinc/89/23/82/482892382.db2.gz ZNOJYVQTVAFFAP-UHFFFAOYSA-N 2 0 275.396 1.571 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1CC(=O)NCC1([NH3+])CCCCCC1 ZINC000261971653 482953609 /nfs/dbraw/zinc/95/36/09/482953609.db2.gz MXDCYNPQWZQUFT-QWHCGFSZSA-N 2 0 267.417 1.672 10 0 CDAERP CCC[N@@H+]1CC[C@@H](NC(=O)N(CC)[C@H]2CC[NH+](CC)C2)C1 ZINC000666920320 482987090 /nfs/dbraw/zinc/98/70/90/482987090.db2.gz SIGQJLIVZUSAQA-CABCVRRESA-N 2 0 296.459 1.596 10 0 CDAERP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657976263 483013409 /nfs/dbraw/zinc/01/34/09/483013409.db2.gz NJEDYKDHVOOLDJ-GJZGRUSLSA-N 2 0 281.444 1.314 10 0 CDAERP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000250564733 483019760 /nfs/dbraw/zinc/01/97/60/483019760.db2.gz DBRNJMXYWBHEGS-OAGGEKHMSA-N 2 0 293.455 1.707 10 0 CDAERP C[C@H]([NH2+][C@H]1CC(=O)N([C@H]2C[C@H]2C)C1)C1CC[NH+](C)CC1 ZINC000678594682 483126700 /nfs/dbraw/zinc/12/67/00/483126700.db2.gz JJMBCFKUQKQJQK-DHMWGJHJSA-N 2 0 279.428 1.316 10 0 CDAERP COc1ccc2cc(C[NH2+]C[C@H]3C[NH2+]C[C@H]3O)ccc2c1 ZINC000263116887 483127743 /nfs/dbraw/zinc/12/77/43/483127743.db2.gz ARXGWUUWAYCOQU-DOTOQJQBSA-N 2 0 286.375 1.518 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000674928309 483190880 /nfs/dbraw/zinc/19/08/80/483190880.db2.gz BQERIMSLNJNGNG-HUUCEWRRSA-N 2 0 296.459 1.358 10 0 CDAERP CC(C)[NH+]1CCN(C(=O)C2CC3(C2)CC[NH2+]CC3)CC1 ZINC000146979874 483233159 /nfs/dbraw/zinc/23/31/59/483233159.db2.gz UYMMEFOUIOFQQP-UHFFFAOYSA-N 2 0 279.428 1.319 10 0 CDAERP OC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccnn1-c1cc[nH+]cc1 ZINC000667495580 483318867 /nfs/dbraw/zinc/31/88/67/483318867.db2.gz OYRMLRRWYVFCGG-MZBDJJRSSA-N 2 0 284.363 1.755 10 0 CDAERP C[NH+](C)CCN1CCC([NH2+][C@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667777709 483420236 /nfs/dbraw/zinc/42/02/36/483420236.db2.gz GTMWVKBETAXPCP-HZPDHXFCSA-N 2 0 281.444 1.170 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(OCC[NH3+])cc2)C1 ZINC000667810975 483442866 /nfs/dbraw/zinc/44/28/66/483442866.db2.gz JGLXIKLPQPSFKA-ZDUSSCGKSA-N 2 0 292.383 1.240 10 0 CDAERP C([C@H]1CCOC1)[NH+]1CCC([NH2+][C@@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667872818 483467455 /nfs/dbraw/zinc/46/74/55/483467455.db2.gz KWHYNBCDDNDDJI-COXVUDFISA-N 2 0 294.439 1.644 10 0 CDAERP CCCC1CCN(C2(C[NH3+])CC[NH+](C)CC2)CC1 ZINC000050893289 519900807 /nfs/dbraw/zinc/90/08/07/519900807.db2.gz XMDHVUWUVXKANB-UHFFFAOYSA-N 2 0 253.434 1.922 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)N1CCC([NH+](CC)CC)CC1 ZINC000061272840 520163247 /nfs/dbraw/zinc/16/32/47/520163247.db2.gz OUEQVYNPOFVGMG-CYBMUJFWSA-N 2 0 269.433 1.707 10 0 CDAERP CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001671737054 1161394051 /nfs/dbraw/zinc/39/40/51/1161394051.db2.gz WOZMBEDOFPFSJS-RDJZCZTQSA-N 2 0 293.455 1.566 10 0 CDAERP CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]CC1CC1)[NH+](C)C ZINC001485944849 1161447214 /nfs/dbraw/zinc/44/72/14/1161447214.db2.gz RAAHXONFWBTQAO-WCQYABFASA-N 2 0 255.406 1.173 10 0 CDAERP CC[NH+]1CCC(N(C)[C@H](C)CC[NH2+]C2CC2)CC1 ZINC000052544082 521566108 /nfs/dbraw/zinc/56/61/08/521566108.db2.gz BBTRMSMXJGRFFS-CYBMUJFWSA-N 2 0 253.434 1.933 10 0 CDAERP CCC[N@H+](C)CCN(C(=O)C[C@@H]1CC[NH+](C)C1)C(C)C ZINC001486378250 1161454380 /nfs/dbraw/zinc/45/43/80/1161454380.db2.gz CTDHVEWBKYAMST-HNNXBMFYSA-N 2 0 283.460 1.907 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)CC[C@H]1CCC[NH2+]C1 ZINC000061644945 521860455 /nfs/dbraw/zinc/86/04/55/521860455.db2.gz WQEORTUXVIHIEO-ZIAGYGMSSA-N 2 0 267.417 1.319 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[N@H+](CC2CC2)CC1(C)C ZINC001717585321 1180749808 /nfs/dbraw/zinc/74/98/08/1180749808.db2.gz OLCKLRJSTICGDT-ZDUSSCGKSA-N 2 0 267.417 1.175 10 0 CDAERP CCCC[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001731987206 1182714969 /nfs/dbraw/zinc/71/49/69/1182714969.db2.gz AVLXJXNVYCCYBK-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)C[NH+]1CC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001732137348 1182795128 /nfs/dbraw/zinc/79/51/28/1182795128.db2.gz GWEPERJLKMCWDD-ZDUSSCGKSA-N 2 0 267.417 1.032 10 0 CDAERP CC(C)(C)[NH+]1CCN(C(=O)[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000055090585 518709989 /nfs/dbraw/zinc/70/99/89/518709989.db2.gz HZDFLHKXJHAEPY-CHWSQXEVSA-N 2 0 267.417 1.447 10 0 CDAERP CC(C)[NH2+]CC1(CN2CC[NH+](C)CC2)CCCC1 ZINC000051209092 519719872 /nfs/dbraw/zinc/71/98/72/519719872.db2.gz NSUARDXWURLKBO-UHFFFAOYSA-N 2 0 253.434 1.792 10 0 CDAERP CC(C)[NH2+]Cc1cc(COCCC[NH+](C)C)on1 ZINC000052672438 519726122 /nfs/dbraw/zinc/72/61/22/519726122.db2.gz MLNBQQAAINZRAJ-UHFFFAOYSA-N 2 0 255.362 1.641 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055138055 519775109 /nfs/dbraw/zinc/77/51/09/519775109.db2.gz NLRUWVPELOCBRX-KKUMJFAQSA-N 2 0 283.460 1.987 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)c1cccc(C[NH3+])c1 ZINC000049192234 519814462 /nfs/dbraw/zinc/81/44/62/519814462.db2.gz FSAFYIRWUNBTHV-AWEZNQCLSA-N 2 0 263.385 1.461 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)CC[NH2+]CC)CC1 ZINC000061297127 519843296 /nfs/dbraw/zinc/84/32/96/519843296.db2.gz XLNVDSDDPMUDDM-UHFFFAOYSA-N 2 0 255.406 1.319 10 0 CDAERP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)C[C@@H]1CC ZINC000246524784 519915603 /nfs/dbraw/zinc/91/56/03/519915603.db2.gz RNVBZKAPJDDOPF-KFWWJZLASA-N 2 0 297.443 1.073 10 0 CDAERP CC[NH2+]CCC(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000061286761 519916227 /nfs/dbraw/zinc/91/62/27/519916227.db2.gz LLGZNWDUOUARML-OAHLLOKOSA-N 2 0 293.411 1.414 10 0 CDAERP CC[NH2+]CCC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000061298554 519916383 /nfs/dbraw/zinc/91/63/83/519916383.db2.gz NZZLHPYNGUZIRC-LLVKDONJSA-N 2 0 269.414 1.467 10 0 CDAERP CC[NH2+]CCC(=O)Nc1cc(C[NH+](C)C)ccc1OC ZINC000061291142 519917320 /nfs/dbraw/zinc/91/73/20/519917320.db2.gz HZUGCILWLSKTLM-UHFFFAOYSA-N 2 0 279.384 1.695 10 0 CDAERP CCC[NH2+]C[C@H](C(C)C)N1CCN(CC[NH+](C)C)CC1 ZINC000061655019 519928970 /nfs/dbraw/zinc/92/89/70/519928970.db2.gz NVRVWEHDLFZKPK-MRXNPFEDSA-N 2 0 284.492 1.190 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)Cc2ccco2)O1 ZINC000052456856 519954055 /nfs/dbraw/zinc/95/40/55/519954055.db2.gz HZFDBVPNPGADRD-GXTWGEPZSA-N 2 0 252.358 1.869 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)Nc1ccccc1C[NH+](C)C ZINC000061230412 519968563 /nfs/dbraw/zinc/96/85/63/519968563.db2.gz YORYJAPDPGCSEK-LBPRGKRZSA-N 2 0 263.385 1.932 10 0 CDAERP CC[NH2+]Cc1ccnc(N2CC[NH+](CC(C)C)CC2)c1 ZINC000055082559 520011032 /nfs/dbraw/zinc/01/10/32/520011032.db2.gz NGHOQGPAMKDJHN-UHFFFAOYSA-N 2 0 276.428 1.969 10 0 CDAERP CC[NH2+][C@@H](C)c1cnc(N2CC[C@H]([NH+](C)C)C2)s1 ZINC000062975111 520080396 /nfs/dbraw/zinc/08/03/96/520080396.db2.gz MLMUBHZCVBLTBL-QWRGUYRKSA-N 2 0 268.430 1.954 10 0 CDAERP CC[NH2+][C@@H](CN1CC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000062965117 520099393 /nfs/dbraw/zinc/09/93/93/520099393.db2.gz ZWRVJERJCPZHSV-HOTGVXAUSA-N 2 0 261.413 1.973 10 0 CDAERP CC[NH2+][C@@](C)(CCCC[NH+]1CCC(COC)CC1)C(N)=O ZINC000069507416 520131366 /nfs/dbraw/zinc/13/13/66/520131366.db2.gz BBAXYSZHPSHGFE-INIZCTEOSA-N 2 0 299.459 1.369 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)NCC1CC[NH+](CC)CC1 ZINC000061274356 520165412 /nfs/dbraw/zinc/16/54/12/520165412.db2.gz ZSXSVPXXBXZVDM-GFCCVEGCSA-N 2 0 255.406 1.223 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC000061274072 520164844 /nfs/dbraw/zinc/16/48/44/520164844.db2.gz SLEQQDQQPJXWKQ-GFCCVEGCSA-N 2 0 255.406 1.317 10 0 CDAERP CCO[C@H](C[NH3+])CC[NH+]1CCN(c2nccs2)CC1 ZINC000062740866 520515764 /nfs/dbraw/zinc/51/57/64/520515764.db2.gz DSLXZCYIKKUZEJ-LBPRGKRZSA-N 2 0 284.429 1.019 10 0 CDAERP CC[NH+](CC)CC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188737721 520577776 /nfs/dbraw/zinc/57/77/76/520577776.db2.gz MQRPWHZVVNIDFR-UHFFFAOYSA-N 2 0 261.369 1.248 10 0 CDAERP CC[NH+](CC)CCC[C@@H](C)NS(=O)(=O)CCCC[NH3+] ZINC000049061319 520631861 /nfs/dbraw/zinc/63/18/61/520631861.db2.gz VVKJJGPKRJNAEC-CYBMUJFWSA-N 2 0 293.477 1.155 10 0 CDAERP CC[NH+](CC)CCN(CC(C)C)C(=O)[C@@H]([NH3+])CCOC ZINC000052808701 520641468 /nfs/dbraw/zinc/64/14/68/520641468.db2.gz OZLMKUIWWVSASL-AWEZNQCLSA-N 2 0 287.448 1.177 10 0 CDAERP CCC[C@@]1(C(=O)N[C@H](C)C[NH+](CC)CC)CC[NH2+]C1 ZINC000062903015 520942626 /nfs/dbraw/zinc/94/26/26/520942626.db2.gz VEJRTQIHBWPAAD-UKRRQHHQSA-N 2 0 269.433 1.613 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000061644894 521832264 /nfs/dbraw/zinc/83/22/64/521832264.db2.gz YWRMUNVNYRUSJH-JKSUJKDBSA-N 2 0 287.407 1.254 10 0 CDAERP COCC[C@H]([NH3+])C(=O)Nc1ccccc1C[NH+]1CCCC1 ZINC000052807894 521948467 /nfs/dbraw/zinc/94/84/67/521948467.db2.gz LZUJEGAFZIGRON-AWEZNQCLSA-N 2 0 291.395 1.585 10 0 CDAERP C[NH2+]C[C@H]1CC[C@@H](CN2CC[NH+](C3CCCC3)CC2)O1 ZINC000052573545 522093539 /nfs/dbraw/zinc/09/35/39/522093539.db2.gz AYYHYCAHAGVPPN-CVEARBPZSA-N 2 0 281.444 1.314 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(Cc2cc(C[NH2+]C)no2)CC1 ZINC000055073712 522125508 /nfs/dbraw/zinc/12/55/08/522125508.db2.gz ACCDSULVLJYNCB-GFCCVEGCSA-N 2 0 266.389 1.310 10 0 CDAERP C[NH2+]Cc1cn(CC[N@H+](C)[C@H]2CCCC[C@@H]2C)nn1 ZINC000052546750 522143853 /nfs/dbraw/zinc/14/38/53/522143853.db2.gz QMDYFEYUSUHBPU-JSGCOSHPSA-N 2 0 265.405 1.508 10 0 CDAERP COC1CC[NH+](C[C@H]2CC[C@H](C[NH2+]C(C)C)O2)CC1 ZINC000052455423 522703610 /nfs/dbraw/zinc/70/36/10/522703610.db2.gz HORMJSMXWUIALJ-HUUCEWRRSA-N 2 0 270.417 1.643 10 0 CDAERP COCC[N@H+](C)CCn1c(N)[nH+]c2ccc(F)cc21 ZINC000061379997 523619209 /nfs/dbraw/zinc/61/92/09/523619209.db2.gz ASNQAXBAGHAKHP-UHFFFAOYSA-N 2 0 266.320 1.336 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CNC(=O)CC1CCC([NH3+])CC1 ZINC000055138637 523795456 /nfs/dbraw/zinc/79/54/56/523795456.db2.gz IKOMABQQNQUQRM-JXQTWKCFSA-N 2 0 267.417 1.495 10 0 CDAERP CC[C@H](C(N)=O)[N@H+](CCC[NH3+])C1CCCCCC1 ZINC000061676119 523817939 /nfs/dbraw/zinc/81/79/39/523817939.db2.gz MUBGFZASLGRVKM-CYBMUJFWSA-N 2 0 255.406 1.624 10 0 CDAERP CN(C(=O)C[C@@H]1CCC[C@H]([NH3+])C1)C1CC[NH+](C)CC1 ZINC000055123281 523843262 /nfs/dbraw/zinc/84/32/62/523843262.db2.gz KIRYMIBFQFYHGP-OLZOCXBDSA-N 2 0 267.417 1.447 10 0 CDAERP COCC[NH2+]C[C@H](C)N1CC[NH+](C2CCCC2)CC1 ZINC000053493924 523942361 /nfs/dbraw/zinc/94/23/61/523942361.db2.gz VSRVRUPJRJVYKC-AWEZNQCLSA-N 2 0 269.433 1.171 10 0 CDAERP CC[C@H](C)NC(=O)CC[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000054629535 523963887 /nfs/dbraw/zinc/96/38/87/523963887.db2.gz ZJMHFOIEHAJQSZ-WODVXLOZSA-N 2 0 253.390 1.245 10 0 CDAERP C[NH+](C)C1CCN(C(=O)CC[C@@H]2CCCC[NH2+]2)CC1 ZINC000050942879 524038315 /nfs/dbraw/zinc/03/83/15/524038315.db2.gz SCNJFBTVVVMSEE-ZDUSSCGKSA-N 2 0 267.417 1.461 10 0 CDAERP C[NH+](C)CC1CC[NH+](Cc2ccnc(C[NH3+])c2)CC1 ZINC000068750016 524049796 /nfs/dbraw/zinc/04/97/96/524049796.db2.gz DKLBGQRKHPDWPF-UHFFFAOYSA-N 3 0 262.401 1.314 10 0 CDAERP C[NH+](C)CCCN1CCC[NH2+][C@H](Cc2ccccc2)C1 ZINC000062669341 524055564 /nfs/dbraw/zinc/05/55/64/524055564.db2.gz SPDKWRMZAOMMBQ-QGZVFWFLSA-N 2 0 275.440 1.845 10 0 CDAERP C[C@H]1CCC[C@@H]([N@H+](C)CCN2CCC[NH2+]CC2)C1 ZINC000061275361 524143320 /nfs/dbraw/zinc/14/33/20/524143320.db2.gz PTAWFTFRBWEERE-LSDHHAIUSA-N 2 0 253.434 1.792 10 0 CDAERP C[C@H]1CCC[C@H](C(=O)NCC(C)(C)C[NH+](C)C)[C@@H]1[NH3+] ZINC000055125301 524176549 /nfs/dbraw/zinc/17/65/49/524176549.db2.gz YUSHYHKFNOGGGS-RWMBFGLXSA-N 2 0 269.433 1.454 10 0 CDAERP C[C@@H]1CCC[C@@H](C(=O)NC[C@@H]2CCC[N@H+](C)C2)[C@@H]1[NH3+] ZINC000055138514 524266989 /nfs/dbraw/zinc/26/69/89/524266989.db2.gz SDHNXBRGPISBNN-XJFOESAGSA-N 2 0 267.417 1.208 10 0 CDAERP C[C@H](C[NH3+])C[N@@H+]1CCCN(CCOCC(F)(F)F)CC1 ZINC000049310721 524306662 /nfs/dbraw/zinc/30/66/62/524306662.db2.gz LEDIHNGWTHSFEI-GFCCVEGCSA-N 2 0 297.365 1.168 10 0 CDAERP COc1ccc(N(CCC[NH3+])c2[nH+]ccn2C)cc1 ZINC000050605316 524367542 /nfs/dbraw/zinc/36/75/42/524367542.db2.gz FCBGZRBDSXXUHX-UHFFFAOYSA-N 2 0 260.341 1.916 10 0 CDAERP C[C@@H](C[NH+]1CCCC1)NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000049184796 524590069 /nfs/dbraw/zinc/59/00/69/524590069.db2.gz LGXOBSYVVLWLKD-DZGCQCFKSA-N 2 0 275.396 1.677 10 0 CDAERP Cc1cccc([C@@H](C[NH3+])N2CCN(CC[NH+](C)C)CC2)c1 ZINC000061642312 524833532 /nfs/dbraw/zinc/83/35/32/524833532.db2.gz BOEXGCHSWPVRHT-QGZVFWFLSA-N 2 0 290.455 1.174 10 0 CDAERP C[C@H]1C[C@H](C(=O)N2CCC([NH+](C)C)CC2)CC[C@@H]1[NH3+] ZINC000055128191 524865841 /nfs/dbraw/zinc/86/58/41/524865841.db2.gz AZONKGHUNFIMAJ-SCRDCRAPSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@H]1C[C@H](C(=O)N(C)C2CC[NH+](C)CC2)CC[C@@H]1[NH3+] ZINC000055123251 524866567 /nfs/dbraw/zinc/86/65/67/524866567.db2.gz FEDZHIWVORDYNI-SCRDCRAPSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@@H]([NH3+])[C@H](c1cccs1)N1CCN(CC[NH+](C)C)CC1 ZINC000061642402 525018450 /nfs/dbraw/zinc/01/84/50/525018450.db2.gz RKROKLISHJMVGO-UKRRQHHQSA-N 2 0 296.484 1.316 10 0 CDAERP C[C@@H]1C[C@@H](C(=O)NCC2CC[NH+](C)CC2)CC[C@@H]1[NH3+] ZINC000055140169 525184465 /nfs/dbraw/zinc/18/44/65/525184465.db2.gz CEVRLFWDTUCPTB-XBFCOCLRSA-N 2 0 267.417 1.208 10 0 CDAERP C[C@]1([NH2+]CCC[C@H]2CCCC[NH2+]2)CCS(=O)(=O)C1 ZINC000050954042 525296460 /nfs/dbraw/zinc/29/64/60/525296460.db2.gz KHDLYGQVMMTBPU-OLZOCXBDSA-N 2 0 274.430 1.076 10 0 CDAERP c1cc(C[NH2+]C2CC2)nc(OCC[NH+]2CCCC2)c1 ZINC000051548877 526427104 /nfs/dbraw/zinc/42/71/04/526427104.db2.gz CKWQSPJKCZCZOY-UHFFFAOYSA-N 2 0 261.369 1.808 10 0 CDAERP Cc1nocc1C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000339218547 526690147 /nfs/dbraw/zinc/69/01/47/526690147.db2.gz SULKZSKPVRWPLE-UHFFFAOYSA-N 2 0 292.427 1.631 10 0 CDAERP Cc1oc(C[NH3+])cc1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000062973033 526771492 /nfs/dbraw/zinc/77/14/92/526771492.db2.gz GUILGHFOISJYCU-AWEZNQCLSA-N 2 0 263.385 1.717 10 0 CDAERP [NH3+]CCN(CCc1ccccc1)CCC1CC[NH2+]CC1 ZINC000261835454 527184275 /nfs/dbraw/zinc/18/42/75/527184275.db2.gz VYUPYZLMCJANSK-UHFFFAOYSA-N 2 0 275.440 1.880 10 0 CDAERP [NH3+]Cc1cc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)co1 ZINC000364560199 527244389 /nfs/dbraw/zinc/24/43/89/527244389.db2.gz NMHUKDFDWSKFOH-FZMZJTMJSA-N 2 0 277.368 1.343 10 0 CDAERP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000417809284 529045369 /nfs/dbraw/zinc/04/53/69/529045369.db2.gz GYDJBHAUHFUJIZ-CHWSQXEVSA-N 2 0 269.433 1.596 10 0 CDAERP CC(C)[NH+](CCNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)C(C)C ZINC000171897487 535067103 /nfs/dbraw/zinc/06/71/03/535067103.db2.gz TWSIQASRALKGOX-OAHLLOKOSA-N 2 0 296.459 1.595 10 0 CDAERP CN(C(=O)NCC1(C)CC[NH2+]CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000418528394 536021888 /nfs/dbraw/zinc/02/18/88/536021888.db2.gz RSHUHJAJBXGUAM-AWEZNQCLSA-N 2 0 294.443 1.254 10 0 CDAERP COc1ccccc1/C=C/C[NH2+]CCCN1CC[NH2+]CC1 ZINC000414780138 536980857 /nfs/dbraw/zinc/98/08/57/536980857.db2.gz KPBUSKIZYRLLBB-QPJJXVBHSA-N 2 0 289.423 1.593 10 0 CDAERP c1csc(C[NH2+]CCCC[NH+]2CCOCC2)c1 ZINC000097356979 1174606018 /nfs/dbraw/zinc/60/60/18/1174606018.db2.gz AGVBPLIMYIJUOJ-UHFFFAOYSA-N 2 0 254.399 1.950 10 0 CDAERP CC[N@@H+]1CC[C@@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC000729688654 574821369 /nfs/dbraw/zinc/82/13/69/574821369.db2.gz SONLWTIAHHCREV-HNNXBMFYSA-N 2 0 281.444 1.711 10 0 CDAERP Cc1nn(C)c2sc([C@H]3C[C@H](C[NH3+])CC[NH2+]3)cc12 ZINC000757215033 574907306 /nfs/dbraw/zinc/90/73/06/574907306.db2.gz MXNKQOGDTLHURU-MWLCHTKSSA-N 2 0 264.398 1.943 10 0 CDAERP CN(C(=O)C1([NH+](C)C)CCC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000763044661 576703606 /nfs/dbraw/zinc/70/36/06/576703606.db2.gz OKOHOICSHNHDFH-CYBMUJFWSA-N 2 0 265.401 1.166 10 0 CDAERP CN(CCS(C)(=O)=O)Cc1cc(-n2ccnc2)cs1 ZINC000753539106 577176256 /nfs/dbraw/zinc/17/62/56/577176256.db2.gz YDQMDXNMFAXGSN-UHFFFAOYSA-N 2 0 299.421 1.410 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCCC[NH+](C)CCC(F)(F)F ZINC001689890834 1175297086 /nfs/dbraw/zinc/29/70/86/1175297086.db2.gz HVSHFZIKQWSOKR-UHFFFAOYSA-N 2 0 297.365 1.717 10 0 CDAERP O[C@@H](CN1CC[C@@]2(CC2(F)F)C1)C[NH+]1CCCC1 ZINC000844471754 617351310 /nfs/dbraw/zinc/35/13/10/617351310.db2.gz RKHOEIPBOWCHCG-VXGBXAGGSA-N 2 0 260.328 1.174 10 0 CDAERP C(C[NH+]1CCCC1)N[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925510014 617407410 /nfs/dbraw/zinc/40/74/10/617407410.db2.gz SJSLEZRYENNUKA-HZPDHXFCSA-N 2 0 265.445 1.840 10 0 CDAERP COCCOCCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925520015 617431591 /nfs/dbraw/zinc/43/15/91/617431591.db2.gz QDWIEWSPVSMJSC-CYBMUJFWSA-N 2 0 256.390 1.304 10 0 CDAERP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1cc[nH]c(=O)c1 ZINC000926687520 617448257 /nfs/dbraw/zinc/44/82/57/617448257.db2.gz ZCBRTAGKTCAFCT-UONOGXRCSA-N 2 0 294.443 1.710 10 0 CDAERP NC(=O)c1cccc(CC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925591323 617537755 /nfs/dbraw/zinc/53/77/55/617537755.db2.gz APFDEHFRSTWMNA-ZIAGYGMSSA-N 2 0 273.380 1.188 10 0 CDAERP C[C@@H]1CC[C@@H](C(N)=O)[C@@H](C)[N@@H+]1CCC[NH+]1CCCCC1 ZINC000930910845 617564641 /nfs/dbraw/zinc/56/46/41/617564641.db2.gz JGKFACSPZDUWAW-RBSFLKMASA-N 2 0 281.444 1.837 10 0 CDAERP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925880920 617964639 /nfs/dbraw/zinc/96/46/39/617964639.db2.gz WWUWKWLAEOAMJL-RDBSUJKOSA-N 2 0 250.390 1.625 10 0 CDAERP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3C[C@@H]4CCC[C@@H]4O3)C[C@]2(C)C1 ZINC000933733328 617598730 /nfs/dbraw/zinc/59/87/30/617598730.db2.gz CHTWZDFSWADWDM-QRJUGERDSA-N 2 0 264.413 1.828 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925669931 617628012 /nfs/dbraw/zinc/62/80/12/617628012.db2.gz ZDZSMCIDNDMWFC-MGPQQGTHSA-N 2 0 253.434 1.966 10 0 CDAERP C[C@@H]1CC[C@@H](C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)O1 ZINC000925696069 617725702 /nfs/dbraw/zinc/72/57/02/617725702.db2.gz SKPDNGHHRVPKRO-BJJPWKGXSA-N 2 0 252.402 1.920 10 0 CDAERP CC[NH2+][C@H](C)CN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925699669 617740532 /nfs/dbraw/zinc/74/05/32/617740532.db2.gz LNWAWCKJNULDAW-VHDGCEQUSA-N 2 0 253.434 1.742 10 0 CDAERP [NH3+][C@H]1CCC[C@H]1[NH2+]CCc1ccnn1-c1ccccc1 ZINC000925804854 617742695 /nfs/dbraw/zinc/74/26/95/617742695.db2.gz NUIJQVYZEVDVGX-JKSUJKDBSA-N 2 0 270.380 1.884 10 0 CDAERP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925810282 617751793 /nfs/dbraw/zinc/75/17/93/617751793.db2.gz YLOOAPLQPSBBDD-UAGQMJEPSA-N 3 0 297.487 1.888 10 0 CDAERP CCCCO[C@@H]1C[C@H]([NH2+]CCN2CCC([NH3+])CC2)C1(C)C ZINC000925816217 617771689 /nfs/dbraw/zinc/77/16/89/617771689.db2.gz WYCMYNPJWJPWQR-JKSUJKDBSA-N 2 0 297.487 1.983 10 0 CDAERP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000925825265 617805451 /nfs/dbraw/zinc/80/54/51/617805451.db2.gz YRTNRDFZSPNLEG-FFNDWZFNSA-N 2 0 264.413 1.778 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925721071 617844609 /nfs/dbraw/zinc/84/46/09/617844609.db2.gz XWDMUTYTMKYZIL-BJJPWKGXSA-N 2 0 251.418 1.493 10 0 CDAERP COC(=O)C1=CC[C@H]([NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000925723407 617882046 /nfs/dbraw/zinc/88/20/46/617882046.db2.gz QSQARVVZBYGXHI-RFQIPJPRSA-N 2 0 278.396 1.614 10 0 CDAERP C[C@@H]1C[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CCS1 ZINC000925854760 617892416 /nfs/dbraw/zinc/89/24/16/617892416.db2.gz AZHSSVLLZDQGSH-MCKGTNQJSA-N 2 0 252.427 1.857 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@]1(C(F)(F)F)CCCN1 ZINC000925859576 617898075 /nfs/dbraw/zinc/89/80/75/617898075.db2.gz ZTAVUHLRSARNBG-HBNTYKKESA-N 2 0 265.323 1.388 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)C[C@H](O)c1ccc(C)cc1 ZINC000923403856 618324583 /nfs/dbraw/zinc/32/45/83/618324583.db2.gz TWYMFRUAFUOTAO-HNNXBMFYSA-N 2 0 266.385 1.196 10 0 CDAERP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CCC[NH2+]C2CC2)C1 ZINC000923392641 618324809 /nfs/dbraw/zinc/32/48/09/618324809.db2.gz KLYLXCGBLLAAGK-BMFZPTHFSA-N 2 0 281.444 1.489 10 0 CDAERP CC[C@H](C[C@](C)(O)CC)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000924966922 618484740 /nfs/dbraw/zinc/48/47/40/618484740.db2.gz RMSSZQIXRQWSSO-IAGOWNOFSA-N 2 0 299.503 1.933 10 0 CDAERP Cn1cc(CCC[NH2+]C2[C@@H]3CC[C@H]2C[N@@H+](C)C3)cn1 ZINC000924913471 618748506 /nfs/dbraw/zinc/74/85/06/618748506.db2.gz QSIGXTBDDSKEBU-YIONKMFJSA-N 2 0 262.401 1.283 10 0 CDAERP O[C@H](C[NH2+]C1C[C@@H]2CCC[C@H]2C1)C[NH+]1CCCC1 ZINC000902762942 625298129 /nfs/dbraw/zinc/29/81/29/625298129.db2.gz RUDFKSLDMZHETC-KCQAQPDRSA-N 2 0 252.402 1.611 10 0 CDAERP c1cc(C[NH2+][C@H]2COC[C@@H]2C2CC2)n(-c2cc[nH+]cc2)n1 ZINC000898374951 621520629 /nfs/dbraw/zinc/52/06/29/621520629.db2.gz AYHGBXSQLKVUPG-CVEARBPZSA-N 2 0 284.363 1.782 10 0 CDAERP CCO[C@@H](CN[C@H]1CCCc2c1cnn2C)C[NH+](C)C ZINC000926967078 621636865 /nfs/dbraw/zinc/63/68/65/621636865.db2.gz ZTTPPHCLEISDKC-JSGCOSHPSA-N 2 0 280.416 1.354 10 0 CDAERP CC[C@@H](CNC(=[NH2+])N[C@@H](C)C1CC1)[NH+]1CCCC1 ZINC000899266024 622130844 /nfs/dbraw/zinc/13/08/44/622130844.db2.gz NSOFEJLMCHDYPC-AAEUAGOBSA-N 2 0 252.406 1.773 10 0 CDAERP C[NH+](C)CC(C)(C)CNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000900010517 622632612 /nfs/dbraw/zinc/63/26/12/622632612.db2.gz ZVQCJIXRDAZVEU-UONOGXRCSA-N 2 0 281.444 1.707 10 0 CDAERP CC[NH+](CC)CCC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC000900305009 622875301 /nfs/dbraw/zinc/87/53/01/622875301.db2.gz JCZBEHOMMUBQIP-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C12CC[NH+](CC1)C2 ZINC000900343165 622918441 /nfs/dbraw/zinc/91/84/41/622918441.db2.gz ASEYVVOFRMWLGH-ZIAGYGMSSA-N 2 0 279.428 1.319 10 0 CDAERP CCC[NH+](CCC)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC000900547079 623187279 /nfs/dbraw/zinc/18/72/79/623187279.db2.gz CRSHLEMUBTXBLY-UHFFFAOYSA-N 2 0 281.444 1.711 10 0 CDAERP C([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)[C@]12C[C@H]1COC21CCC1 ZINC000902458928 624847436 /nfs/dbraw/zinc/84/74/36/624847436.db2.gz ABWUOADZGDVIDG-XZEYQLJZSA-N 2 0 274.408 1.532 10 0 CDAERP CC(C)N(C)C(=O)C1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903431125 625989774 /nfs/dbraw/zinc/98/97/74/625989774.db2.gz OIJXZCHTQDSNLC-HIFRSBDPSA-N 2 0 281.444 1.693 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN(C(=O)C3CCCCC3)CC2)C1 ZINC000903433195 625990750 /nfs/dbraw/zinc/99/07/50/625990750.db2.gz UHWDAYLACACIGV-GOEBONIOSA-N 2 0 293.455 1.838 10 0 CDAERP C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000903434481 625991403 /nfs/dbraw/zinc/99/14/03/625991403.db2.gz FPEKIEZSSLELBN-IJEWVQPXSA-N 2 0 287.407 1.851 10 0 CDAERP CC[C@@H]1C[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)[C@@H](CC)CN1C(C)=O ZINC000903440139 625992644 /nfs/dbraw/zinc/99/26/44/625992644.db2.gz UMDLIFYUNBNWML-SYAUCNOPSA-N 2 0 281.444 1.563 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@H](Nc3ncccn3)C2)C1 ZINC000903460415 625995543 /nfs/dbraw/zinc/99/55/43/625995543.db2.gz BCBAGFFKCWLERV-XQQFMLRXSA-N 2 0 261.373 1.090 10 0 CDAERP Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cn1 ZINC000903463649 625996300 /nfs/dbraw/zinc/99/63/00/625996300.db2.gz HTYVYYJYPXMYFV-OJLVUWQFSA-N 2 0 276.428 1.848 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCCN(c2nccs2)CC1 ZINC000903442421 625997196 /nfs/dbraw/zinc/99/71/96/625997196.db2.gz PTBVFXUQNCFHNC-OLZOCXBDSA-N 2 0 280.441 1.511 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CCN(Cc2cnns2)C1 ZINC000903476109 626005046 /nfs/dbraw/zinc/00/50/46/626005046.db2.gz NNZLOVITVYVLKY-LBPRGKRZSA-N 2 0 254.403 1.735 10 0 CDAERP CC(C)OC(=O)C1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903482015 626006419 /nfs/dbraw/zinc/00/64/19/626006419.db2.gz ULTABVAYRBJAKP-OCCSQVGLSA-N 2 0 268.401 1.777 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)Nc2cc(F)ccc2F)C[C@H]1CC[NH3+] ZINC000903494893 626011427 /nfs/dbraw/zinc/01/14/27/626011427.db2.gz PJTJETMARGPEKV-GHMZBOCLSA-N 2 0 297.349 1.820 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cccnc1C)C2 ZINC000903495281 626011742 /nfs/dbraw/zinc/01/17/42/626011742.db2.gz YNIGQOVJYWFSNE-LZWOXQAQSA-N 2 0 289.379 1.102 10 0 CDAERP C[C@@H]1C[N@H+](Cc2cccc(C(=O)N(C)C)c2)C[C@H]1CC[NH3+] ZINC000903497209 626012113 /nfs/dbraw/zinc/01/21/13/626012113.db2.gz QFBVWSDXMKTNIH-CZUORRHYSA-N 2 0 289.423 1.805 10 0 CDAERP C([C@H]1CCOC1)[N@H+](C[C@@H]1CCCC[NH2+]C1)C1CC1 ZINC000903724706 626065215 /nfs/dbraw/zinc/06/52/15/626065215.db2.gz QLIUOZPDMMJPFS-ZIAGYGMSSA-N 2 0 252.402 1.877 10 0 CDAERP C(C1CC1)[C@H]1COCC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903788285 626095112 /nfs/dbraw/zinc/09/51/12/626095112.db2.gz HOCVWJCHQKESRH-JKSUJKDBSA-N 2 0 294.439 1.646 10 0 CDAERP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000903831891 626107648 /nfs/dbraw/zinc/10/76/48/626107648.db2.gz MVHJBMTULSTKKN-LXTVHRRPSA-N 2 0 250.386 1.487 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)C2CCC([NH3+])CC2)cnn1C ZINC000903874303 626128569 /nfs/dbraw/zinc/12/85/69/626128569.db2.gz XOTOJPKWGCYSQS-JEYLPNPQSA-N 3 0 293.459 1.048 10 0 CDAERP CC(C)[C@H](C)[N@H+](C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903881209 626130888 /nfs/dbraw/zinc/13/08/88/626130888.db2.gz XMPSEUMEJXHJTL-STQMWFEESA-N 2 0 265.405 1.679 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@H+](CCCCO)C2CC2)cnn1C ZINC000903893197 626134854 /nfs/dbraw/zinc/13/48/54/626134854.db2.gz SFKBOXPDAITWHV-AWEZNQCLSA-N 2 0 294.443 1.083 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)CCC2CC2)cnn1C ZINC000903898914 626137563 /nfs/dbraw/zinc/13/75/63/626137563.db2.gz PIQNYPIKQCCNDZ-AWEZNQCLSA-N 2 0 264.417 1.578 10 0 CDAERP CC[C@@H]1C[N@H+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)CCCO1 ZINC000903908876 626142683 /nfs/dbraw/zinc/14/26/83/626142683.db2.gz AIUDLNIYNLLULV-GDBMZVCRSA-N 2 0 294.443 1.347 10 0 CDAERP Cc1c(C[C@H](C[NH3+])CN2C[C@H](C)OC(C)(C)C2)cnn1C ZINC000903919030 626146685 /nfs/dbraw/zinc/14/66/85/626146685.db2.gz KMNKHFCQAYYLMR-GXTWGEPZSA-N 2 0 294.443 1.345 10 0 CDAERP c1nnn([C@H]2CCC[NH2+]C2)c1C[NH2+]CC1CCCCC1 ZINC000903928193 626149555 /nfs/dbraw/zinc/14/95/55/626149555.db2.gz XIXFFLYUEINASJ-AWEZNQCLSA-N 2 0 277.416 1.873 10 0 CDAERP CC(C)[N@H+](C[C@H]1CCC(=O)N1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903930187 626151170 /nfs/dbraw/zinc/15/11/70/626151170.db2.gz ULLDGICKNZSIGV-JALIKCBVSA-N 2 0 279.428 1.506 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)CC[NH2+]1 ZINC000903937249 626155135 /nfs/dbraw/zinc/15/51/35/626155135.db2.gz GFQIBTKHAXXECB-BZUAXINKSA-N 3 0 288.439 1.980 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC[C@H]([NH3+])CC(F)F)cc1 ZINC000903917507 626156958 /nfs/dbraw/zinc/15/69/58/626156958.db2.gz MQKHXUAYAUFDCD-JOYOIKCWSA-N 2 0 257.328 1.778 10 0 CDAERP Cc1nn(C)c2ncc(C[NH2+]CC[C@@H]3C[NH2+]C[C@H]3C)cc12 ZINC000903973470 626168438 /nfs/dbraw/zinc/16/84/38/626168438.db2.gz DZDIQGXSBQAHGA-BXUZGUMPSA-N 2 0 287.411 1.612 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000903964708 626171591 /nfs/dbraw/zinc/17/15/91/626171591.db2.gz UBAVMRLROFHDEP-WTTBNOFXSA-N 2 0 273.424 1.704 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903983894 626173586 /nfs/dbraw/zinc/17/35/86/626173586.db2.gz NCYAXXLHGBFGGM-GARJFASQSA-N 2 0 267.339 1.571 10 0 CDAERP c1ccc(-c2cccc(CN3CC[NH2+]CC[NH2+]CC3)c2)nc1 ZINC000904396317 626273521 /nfs/dbraw/zinc/27/35/21/626273521.db2.gz GGKPNVNBGLIFIP-UHFFFAOYSA-N 2 0 296.418 1.743 10 0 CDAERP C(N1CCC([C@@H]2CCC[NH2+]CC2)CC1)C12CC(C1)C[NH2+]2 ZINC000904416777 626286980 /nfs/dbraw/zinc/28/69/80/626286980.db2.gz RNYAQUWQTGLLOZ-ISXOHVOVSA-N 2 0 277.456 1.840 10 0 CDAERP FC1(F)CC[NH2+]C[C@@H]1c1nc(CC2CC[NH2+]CC2)no1 ZINC000905315101 626745014 /nfs/dbraw/zinc/74/50/14/626745014.db2.gz RSOOECAMBAEAEF-SNVBAGLBSA-N 2 0 286.326 1.324 10 0 CDAERP CC(C)([NH3+])CCc1nc(CC2CC[NH2+]CC2)no1 ZINC000905318163 626746123 /nfs/dbraw/zinc/74/61/23/626746123.db2.gz MWULFMWEMMDUJJ-UHFFFAOYSA-N 2 0 252.362 1.282 10 0 CDAERP CN(CCC[NH+]1CCCC1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000907960425 627927410 /nfs/dbraw/zinc/92/74/10/627927410.db2.gz UHVNVRDHAKPNNL-CVEARBPZSA-N 2 0 293.455 1.948 10 0 CDAERP C[N@H+](CC(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1)CC(C)(C)C ZINC000913274933 630427325 /nfs/dbraw/zinc/42/73/25/630427325.db2.gz QYNOVPCKICIOIZ-IRXDYDNUSA-N 2 0 295.471 1.765 10 0 CDAERP CCC[NH+](CCC)CCCC(=O)NC12CC[NH+](CC1)C2 ZINC000913628288 630718144 /nfs/dbraw/zinc/71/81/44/630718144.db2.gz DWYPKFLHSSLCRS-UHFFFAOYSA-N 2 0 281.444 1.853 10 0 CDAERP O=C(NC12CC[NH+](CC1)C2)c1ccc(C[NH+]2CCCC2)cc1 ZINC000913627545 630718188 /nfs/dbraw/zinc/71/81/88/630718188.db2.gz OQOBUAVQLMGSBK-UHFFFAOYSA-N 2 0 299.418 1.860 10 0 CDAERP C[N@@H+]1C[C@H](C(=O)NC23CC[NH+](CC2)C3)[C@@H](c2ccccc2)C1 ZINC000913635261 630721653 /nfs/dbraw/zinc/72/16/53/630721653.db2.gz XKNMKMMTQGONRD-CVEARBPZSA-N 2 0 299.418 1.296 10 0 CDAERP CC[C@@H](C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C)[NH+](C)C ZINC000913814247 630800141 /nfs/dbraw/zinc/80/01/41/630800141.db2.gz RJUZSOARNPIAGE-RWMBFGLXSA-N 2 0 253.390 1.022 10 0 CDAERP C[C@H]1[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[N@@H+]1C ZINC000913838300 630826417 /nfs/dbraw/zinc/82/64/17/630826417.db2.gz HVFXPYUEBDILDB-WCQYABFASA-N 2 0 296.459 1.687 10 0 CDAERP CC1(C)C[C@@H]([NH2+]C[C@@H](CO)Cc2ccco2)C[C@@H]([NH3+])C1 ZINC000925479422 632759012 /nfs/dbraw/zinc/75/90/12/632759012.db2.gz YWVULXVDHXDWCL-MJBXVCDLSA-N 2 0 280.412 1.926 10 0 CDAERP C[N@@H+]1CC[C@@H]1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000920658623 632820311 /nfs/dbraw/zinc/82/03/11/632820311.db2.gz FXWWEJZISXDPFL-WTUNAVPPSA-N 2 0 280.416 1.005 10 0 CDAERP CCC[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001266724111 1158789524 /nfs/dbraw/zinc/78/95/24/1158789524.db2.gz DKNDZXWHODCLHA-HNNXBMFYSA-N 2 0 281.444 1.851 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001691111280 1158913383 /nfs/dbraw/zinc/91/33/83/1158913383.db2.gz CNFFJLBGWMGKAU-QLFBSQMISA-N 2 0 283.460 1.857 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCCO)C[C@@H]1C ZINC001671255817 1159712218 /nfs/dbraw/zinc/71/22/18/1159712218.db2.gz AAAJCCGWIVYFFK-GJZGRUSLSA-N 2 0 299.459 1.070 10 0 CDAERP CCCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268379166 1159915186 /nfs/dbraw/zinc/91/51/86/1159915186.db2.gz OXKZMTFQBBIHET-KBPBESRZSA-N 2 0 269.433 1.755 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]CCCF)CN1C(=O)CC[NH+]1CCCCC1 ZINC001700854834 1160038824 /nfs/dbraw/zinc/03/88/24/1160038824.db2.gz UVCIKXFQRDTWKA-LSDHHAIUSA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)COCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001270922213 1160230711 /nfs/dbraw/zinc/23/07/11/1160230711.db2.gz SGCQQUAWKUYWMD-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)[C@H](n2cncn2)C1 ZINC001771768962 1164319531 /nfs/dbraw/zinc/31/95/31/1164319531.db2.gz YUXUVAAQFBPFJZ-IBEHDNSVSA-N 2 0 291.443 1.938 10 0 CDAERP O=C(C[C@H]1[NH2+]Cc2ccccc21)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870973115 1165244536 /nfs/dbraw/zinc/24/45/36/1165244536.db2.gz JWVXLYICWMFJKF-DUFGSWQCSA-N 2 0 299.418 1.868 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N(C)CCCC[NH+](C)C)CC1 ZINC001618328968 1165628866 /nfs/dbraw/zinc/62/88/66/1165628866.db2.gz CWCLMZUZDRVZLN-UHFFFAOYSA-N 2 0 283.460 1.907 10 0 CDAERP CC[C@H]1C[N@H+](C)CCCN1C(=O)[C@H](C)CC[NH+](C)C ZINC001618488642 1165633965 /nfs/dbraw/zinc/63/39/65/1165633965.db2.gz LICAFNCMZMGMRZ-KGLIPLIRSA-N 2 0 269.433 1.517 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)NCC2([NH+](C)C)CC2)C1 ZINC001630288904 1166196928 /nfs/dbraw/zinc/19/69/28/1166196928.db2.gz KZAYVEVNZONTFB-ZDUSSCGKSA-N 2 0 267.417 1.317 10 0 CDAERP CCN1CC[C@H]1C(=O)N(C)CC[NH+]1CCCCC1 ZINC001631704580 1166298464 /nfs/dbraw/zinc/29/84/64/1166298464.db2.gz QAAFRHADYFCGLA-ZDUSSCGKSA-N 2 0 253.390 1.025 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)N(C)CCCC[NH+](C)C)C1 ZINC001634203786 1166479839 /nfs/dbraw/zinc/47/98/39/1166479839.db2.gz NFPITRAQRHZNGQ-OAHLLOKOSA-N 2 0 283.460 1.907 10 0 CDAERP CCC[NH2+]C/C=C\CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001274154636 1166576701 /nfs/dbraw/zinc/57/67/01/1166576701.db2.gz UAAWKOKAEKNEKN-PLNGDYQASA-N 2 0 286.379 1.928 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001412339715 1166733874 /nfs/dbraw/zinc/73/38/74/1166733874.db2.gz ZPKKRXIWUCIPPW-ZIAGYGMSSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)OCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001566767796 1168413795 /nfs/dbraw/zinc/41/37/95/1168413795.db2.gz TWVZPPYHOYXNFF-LSDHHAIUSA-N 2 0 297.443 1.086 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CC[C@H](C[NH2+]CCCCCF)C1 ZINC001567153629 1168599233 /nfs/dbraw/zinc/59/92/33/1168599233.db2.gz RMQBSOWDBVHBOE-OAHLLOKOSA-N 2 0 299.434 1.660 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CCF)C1 ZINC001567151495 1168599322 /nfs/dbraw/zinc/59/93/22/1168599322.db2.gz QJXIDFCJJBCJNR-ZDUSSCGKSA-N 2 0 273.396 1.126 10 0 CDAERP C[C@@H](Cn1cccn1)[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC001647441120 1168694127 /nfs/dbraw/zinc/69/41/27/1168694127.db2.gz WDAPXYANYGUEQF-BHYGNILZSA-N 2 0 284.407 1.920 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]CCC1CC1 ZINC001568208805 1169179404 /nfs/dbraw/zinc/17/94/04/1169179404.db2.gz HXIICYNMJKARCH-JSGCOSHPSA-N 2 0 267.417 1.080 10 0 CDAERP CC(C)[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H](C)C1 ZINC001671246738 1169433928 /nfs/dbraw/zinc/43/39/28/1169433928.db2.gz WWAIJQIARFUTNT-STQMWFEESA-N 2 0 255.406 1.316 10 0 CDAERP CC[C@H](C)C[NH2+]C/C=C/CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001568851355 1169518140 /nfs/dbraw/zinc/51/81/40/1169518140.db2.gz BZSFUGNMMXHTCG-WIJLQKJISA-N 2 0 293.455 1.636 10 0 CDAERP CC(C)CC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001569188630 1169712108 /nfs/dbraw/zinc/71/21/08/1169712108.db2.gz KHCZPYPUOOOHFN-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001569381447 1169829248 /nfs/dbraw/zinc/82/92/48/1169829248.db2.gz PNZQVAFTGRPCMW-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001570004516 1170057391 /nfs/dbraw/zinc/05/73/91/1170057391.db2.gz KCTXPWWWLWCREE-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CC[NH2+]CCCOC1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001570789522 1170279524 /nfs/dbraw/zinc/27/95/24/1170279524.db2.gz STJBMDGWYDAYAM-OAHLLOKOSA-N 2 0 299.459 1.334 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH3+])cc2)C1 ZINC000070542032 1171668727 /nfs/dbraw/zinc/66/87/27/1171668727.db2.gz WDGLFIOXKBEYFQ-AWEZNQCLSA-N 2 0 261.369 1.012 10 0 CDAERP COCCC[NH2+][C@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001662349305 1172534148 /nfs/dbraw/zinc/53/41/48/1172534148.db2.gz BCWVQMJDAFTGKE-HUUCEWRRSA-N 2 0 299.459 1.382 10 0 CDAERP CC[C@@H](C(=O)N(C)CC[NH2+]CC[C@H](C)F)[NH+](C)C ZINC001664190841 1172821345 /nfs/dbraw/zinc/82/13/45/1172821345.db2.gz SCKMCKSDLRFOQF-RYUDHWBXSA-N 2 0 261.385 1.123 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)[NH2+]CCCO ZINC001665856384 1173074574 /nfs/dbraw/zinc/07/45/74/1173074574.db2.gz MOMICTZMTCGEHS-GJZGRUSLSA-N 2 0 299.459 1.116 10 0 CDAERP C[C@H](C[NH2+]CC1=CCCCC1)N(C)C(=O)CC[NH+](C)C ZINC001666983206 1173216173 /nfs/dbraw/zinc/21/61/73/1173216173.db2.gz WKPMRSRSXAJDFV-CQSZACIVSA-N 2 0 281.444 1.875 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cscn1)[NH+](C)C ZINC001668278358 1173391807 /nfs/dbraw/zinc/39/18/07/1173391807.db2.gz GAVTYWBBQQQOQK-WCQYABFASA-N 2 0 298.456 1.468 10 0 CDAERP CCN(CC[NH2+]CC1CC(C)C1)C(=O)CC[NH+](C)C ZINC001668542581 1173426180 /nfs/dbraw/zinc/42/61/80/1173426180.db2.gz RSPWNIMEPXMZHZ-UHFFFAOYSA-N 2 0 269.433 1.422 10 0 CDAERP CCCCC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001690739124 1175560427 /nfs/dbraw/zinc/56/04/27/1175560427.db2.gz JUHJZGSWKVCOHK-HZPDHXFCSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)C[NH2+]C[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001698773951 1175927448 /nfs/dbraw/zinc/92/74/48/1175927448.db2.gz YKSHUWSDWQCSDB-ZDUSSCGKSA-N 2 0 267.417 1.080 10 0 CDAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]CC1CC1 ZINC001699099887 1176092374 /nfs/dbraw/zinc/09/23/74/1176092374.db2.gz NHBDXLIFOPBWBF-UKRRQHHQSA-N 2 0 281.444 1.754 10 0 CDAERP C[C@@H](CC[NH2+]CCF)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001699141020 1176110421 /nfs/dbraw/zinc/11/04/21/1176110421.db2.gz HEKFAQNXYDCTRH-ZDUSSCGKSA-N 2 0 285.407 1.316 10 0 CDAERP C[C@H](CC[NH2+]CCF)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001699141019 1176110640 /nfs/dbraw/zinc/11/06/40/1176110640.db2.gz HEKFAQNXYDCTRH-CYBMUJFWSA-N 2 0 285.407 1.316 10 0 CDAERP C[C@H](CC[NH2+]CCF)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001699147017 1176111375 /nfs/dbraw/zinc/11/13/75/1176111375.db2.gz CNHLMXHFJZNMGF-CYBMUJFWSA-N 2 0 299.434 1.562 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1CCC(C)C ZINC001699636586 1176534770 /nfs/dbraw/zinc/53/47/70/1176534770.db2.gz GCCKDSDVQVSWBE-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)=CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001699656252 1176553673 /nfs/dbraw/zinc/55/36/73/1176553673.db2.gz WTGBIXSWYNVXAY-CQSZACIVSA-N 2 0 279.428 1.675 10 0 CDAERP COCC[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001699759683 1176610513 /nfs/dbraw/zinc/61/05/13/1176610513.db2.gz ZSGZMVSJMFSFEM-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP CCCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001699966233 1176700232 /nfs/dbraw/zinc/70/02/32/1176700232.db2.gz AWWBCGXYGGCBOJ-UONOGXRCSA-N 2 0 269.433 1.422 10 0 CDAERP CCC[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001699970027 1176701899 /nfs/dbraw/zinc/70/18/99/1176701899.db2.gz OCZJYWJMGFVDIU-CVEARBPZSA-N 2 0 295.471 1.957 10 0 CDAERP CCCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001700529982 1176996811 /nfs/dbraw/zinc/99/68/11/1176996811.db2.gz CIAWKGVDQQYESN-HIFRSBDPSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@@H](C(=O)NCC1=CC[N@H+](CC[C@H](C)F)CC1)[NH+](C)C ZINC001701059032 1177260371 /nfs/dbraw/zinc/26/03/71/1177260371.db2.gz OVWNPQIVJYLTNG-ZFWWWQNUSA-N 2 0 299.434 1.823 10 0 CDAERP COC[C@H](C)[N@H+](C)CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001707392117 1178011994 /nfs/dbraw/zinc/01/19/94/1178011994.db2.gz IWFPWTOXMYZCLS-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@@H]1[C@H](C(=O)NCCC[NH+](CCF)C2CC2)CC[N@@H+]1C ZINC001707483321 1178076105 /nfs/dbraw/zinc/07/61/05/1178076105.db2.gz XRWMIQGQFLXWNB-TZMCWYRMSA-N 2 0 285.407 1.267 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001713200158 1178427889 /nfs/dbraw/zinc/42/78/89/1178427889.db2.gz BLRQOQSTSKFPTI-BETUJISGSA-N 2 0 269.433 1.611 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(C)C)C1 ZINC001713206476 1178431450 /nfs/dbraw/zinc/43/14/50/1178431450.db2.gz SUJVYZLDHSGIDY-BETUJISGSA-N 2 0 255.406 1.221 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CCCF)C1 ZINC001713229311 1178444710 /nfs/dbraw/zinc/44/47/10/1178444710.db2.gz SXGKSWSWXSPNRZ-KGLIPLIRSA-N 2 0 285.407 1.268 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001713352918 1178515158 /nfs/dbraw/zinc/51/51/58/1178515158.db2.gz HZYUPYYTJOMVAR-ZIAGYGMSSA-N 2 0 269.433 1.422 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001713990853 1178912518 /nfs/dbraw/zinc/91/25/18/1178912518.db2.gz CZHBZBNYOPVCNK-CABCVRRESA-N 2 0 281.444 1.804 10 0 CDAERP CC[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]C(C)C ZINC001714073919 1178961274 /nfs/dbraw/zinc/96/12/74/1178961274.db2.gz OYQLFSUDWUVELQ-KBPBESRZSA-N 2 0 267.417 1.221 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]C/C=C/Cl)C2)CC[N@@H+]1C ZINC001714347185 1179099502 /nfs/dbraw/zinc/09/95/02/1179099502.db2.gz UPUQYQUBIJOWJY-QCIPMWLWSA-N 2 0 299.846 1.517 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001714381344 1179113806 /nfs/dbraw/zinc/11/38/06/1179113806.db2.gz CWXVTPKHRMQURA-OAHLLOKOSA-N 2 0 279.428 1.487 10 0 CDAERP C[C@H](CCNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CCCF ZINC001714485731 1179165260 /nfs/dbraw/zinc/16/52/60/1179165260.db2.gz YSIIBZDYSGIISQ-CYBMUJFWSA-N 2 0 287.423 1.705 10 0 CDAERP CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]CC=C(C)C)[NH+](C)C ZINC001714496186 1179171328 /nfs/dbraw/zinc/17/13/28/1179171328.db2.gz XHXMBSYNGSOXBB-KGLIPLIRSA-N 2 0 269.433 1.777 10 0 CDAERP Cc1cccc(C[NH2+]CCN(C)C(=O)CCC[NH+](C)C)c1 ZINC001714750729 1179376093 /nfs/dbraw/zinc/37/60/93/1179376093.db2.gz BWONMRUEWGCCCT-UHFFFAOYSA-N 2 0 291.439 1.885 10 0 CDAERP C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C[NH2+]CCF ZINC001715430034 1179665787 /nfs/dbraw/zinc/66/57/87/1179665787.db2.gz QOLBXPKFRAEVJX-KGLIPLIRSA-N 2 0 297.418 1.268 10 0 CDAERP CC[C@@H](F)C[NH2+]CCN(CC)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001715735959 1179785133 /nfs/dbraw/zinc/78/51/33/1179785133.db2.gz YLCVFFLYAQQVIR-CABCVRRESA-N 2 0 299.434 1.514 10 0 CDAERP CCC[NH2+]CCN(CC)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001716235493 1180114189 /nfs/dbraw/zinc/11/41/89/1180114189.db2.gz OFRXHTCXQZPDHE-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP CCN(CC[NH2+]CCOC)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001716248756 1180118760 /nfs/dbraw/zinc/11/87/60/1180118760.db2.gz KCYZTUPIPXFPQE-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]CCC(C)(C)C ZINC001716424817 1180199006 /nfs/dbraw/zinc/19/90/06/1180199006.db2.gz UWDBBWGFPAODFR-CYBMUJFWSA-N 2 0 271.449 1.857 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001716464256 1180224832 /nfs/dbraw/zinc/22/48/32/1180224832.db2.gz NGISQIJMOOVAFA-CABCVRRESA-N 2 0 299.459 1.095 10 0 CDAERP CC[C@@H](F)C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001716532937 1180272866 /nfs/dbraw/zinc/27/28/66/1180272866.db2.gz ZXCRYFMZLBCPFV-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH2+][C@H](C)COC)CC[N@@H+]1C ZINC001716542659 1180278397 /nfs/dbraw/zinc/27/83/97/1180278397.db2.gz NAPQZZUYXMIWMG-QLFBSQMISA-N 2 0 299.459 1.190 10 0 CDAERP CCC[N@@H+]1CC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001716653103 1180340127 /nfs/dbraw/zinc/34/01/27/1180340127.db2.gz AXIGDQYNNWGNKV-KBPBESRZSA-N 2 0 267.417 1.461 10 0 CDAERP CC(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001716678228 1180363977 /nfs/dbraw/zinc/36/39/77/1180363977.db2.gz ZOTQLVFYAOVTBC-ZDUSSCGKSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001716990103 1180494497 /nfs/dbraw/zinc/49/44/97/1180494497.db2.gz DIZNWVZUEQJLGW-LSDHHAIUSA-N 2 0 283.460 1.668 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCCOC)[C@H](C)C1 ZINC001717335243 1180620718 /nfs/dbraw/zinc/62/07/18/1180620718.db2.gz GWQMNFMVWDECDT-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)=CC[NH+](C)[C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001717475980 1180696161 /nfs/dbraw/zinc/69/61/61/1180696161.db2.gz HMRWGPLOVYGYJZ-CQSZACIVSA-N 2 0 281.444 1.873 10 0 CDAERP CCC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001717668761 1180785964 /nfs/dbraw/zinc/78/59/64/1180785964.db2.gz HEMGOMCZPMDZQZ-BFHYXJOUSA-N 2 0 269.433 1.611 10 0 CDAERP O=C(CC[NH+]1CCCCC1)N[C@@H]1CC[C@H](C[NH2+]CCF)C1 ZINC001717888170 1180913500 /nfs/dbraw/zinc/91/35/00/1180913500.db2.gz ZGFNKANLTMOJSR-LSDHHAIUSA-N 2 0 299.434 1.706 10 0 CDAERP CC[NH+](CC)CCCCNC(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000165107976 1180945499 /nfs/dbraw/zinc/94/54/99/1180945499.db2.gz SFAQKZKRTNPGJM-ZIAGYGMSSA-N 2 0 269.433 1.742 10 0 CDAERP C[N@H+](CC(=O)N[C@@H](C[NH2+]CCF)C(C)(C)C)C1CCC1 ZINC001717959841 1180948049 /nfs/dbraw/zinc/94/80/49/1180948049.db2.gz IRMAKILVWCSECC-ZDUSSCGKSA-N 2 0 287.423 1.561 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](NC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001723300916 1181534658 /nfs/dbraw/zinc/53/46/58/1181534658.db2.gz LENFEEXYSDPTDO-HNNXBMFYSA-N 2 0 293.455 1.921 10 0 CDAERP CCCC[NH2+]C[C@@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001723301031 1181535225 /nfs/dbraw/zinc/53/52/25/1181535225.db2.gz OBUZIZHOMCVENQ-HZPDHXFCSA-N 2 0 293.455 1.613 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001723972451 1181627457 /nfs/dbraw/zinc/62/74/57/1181627457.db2.gz WNGGNWGXCQFGCP-RDJZCZTQSA-N 2 0 293.455 1.853 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NC2CC(C[NH2+]CCC(C)(C)C)C2)C1 ZINC001725073532 1181845137 /nfs/dbraw/zinc/84/51/37/1181845137.db2.gz UVJRMTFLODWMNT-SHARSMKWSA-N 2 0 295.471 1.859 10 0 CDAERP CC[N@H+](C)CCC(=O)NC1CC(C[NH2+]C(C)C)C1 ZINC001725072907 1181845225 /nfs/dbraw/zinc/84/52/25/1181845225.db2.gz CRQOHRVYHKOVDO-UHFFFAOYSA-N 2 0 255.406 1.221 10 0 CDAERP CCCCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001725565809 1182053259 /nfs/dbraw/zinc/05/32/59/1182053259.db2.gz JVMTXQIJLRHJOP-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP C[N@H+](CCF)CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001731259996 1182278467 /nfs/dbraw/zinc/27/84/67/1182278467.db2.gz PZABEPJYPMQZBA-UHFFFAOYSA-N 2 0 273.396 1.268 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CCCNC(=O)C[NH+]1CCCC1 ZINC001731761020 1182553533 /nfs/dbraw/zinc/55/35/33/1182553533.db2.gz ONMURCWQPCEBEM-OAHLLOKOSA-N 2 0 281.444 1.853 10 0 CDAERP CC[C@H](C)C[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001731831723 1182612585 /nfs/dbraw/zinc/61/25/85/1182612585.db2.gz TWWBTJQDICDODP-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)C[N@H+](CCNC(=O)CC[NH+](C)C)C1CC1 ZINC001731880468 1182648241 /nfs/dbraw/zinc/64/82/41/1182648241.db2.gz PTBFQLPNSQTBMT-UHFFFAOYSA-N 2 0 255.406 1.175 10 0 CDAERP CN(CC[NH2+]CCCF)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001731939572 1182687869 /nfs/dbraw/zinc/68/78/69/1182687869.db2.gz DGQGETYALHMHNL-UHFFFAOYSA-N 2 0 273.396 1.268 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]C/C=C/Cl)C1 ZINC001731952566 1182697401 /nfs/dbraw/zinc/69/74/01/1182697401.db2.gz RFUDLPHIBIQXHY-OGOUPESXSA-N 2 0 273.808 1.129 10 0 CDAERP C[NH+](C)CCC(=O)N1CCCC[C@@H]1CC[NH2+]CCCF ZINC001732516470 1182994935 /nfs/dbraw/zinc/99/49/35/1182994935.db2.gz YNXLVYZYNHXROI-CQSZACIVSA-N 2 0 287.423 1.659 10 0 CDAERP COCC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001732563910 1183011744 /nfs/dbraw/zinc/01/17/44/1183011744.db2.gz WRBDGZBISCKZQS-CABCVRRESA-N 2 0 299.459 1.236 10 0 CDAERP COCC[NH2+]CC[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001732740608 1183105135 /nfs/dbraw/zinc/10/51/35/1183105135.db2.gz KBBXKJGCRHXVJL-AWEZNQCLSA-N 2 0 299.459 1.238 10 0 CDAERP CCN(CC[NH2+]Cc1cnoc1C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001732766401 1183118099 /nfs/dbraw/zinc/11/80/99/1183118099.db2.gz CTGANEYVGVJWHZ-AWEZNQCLSA-N 2 0 294.399 1.015 10 0 CDAERP CC[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001732800541 1183131220 /nfs/dbraw/zinc/13/12/20/1183131220.db2.gz YWEFKWVIYIAWLZ-CQSZACIVSA-N 2 0 269.433 1.707 10 0 CDAERP CCCC[NH2+]C/C=C/CNC(=O)C12CCC[NH+]1CCC2 ZINC001732873315 1183165835 /nfs/dbraw/zinc/16/58/35/1183165835.db2.gz NDPDQRYKDJLTJK-SNAWJCMRSA-N 2 0 279.428 1.677 10 0 CDAERP CC[C@H](F)C[NH2+]C/C=C/CNC(=O)C1CC[NH+](C)CC1 ZINC001732895950 1183175743 /nfs/dbraw/zinc/17/57/43/1183175743.db2.gz WWNFFUALOCLWFJ-NNTXTVRGSA-N 2 0 285.407 1.338 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001733011793 1183236384 /nfs/dbraw/zinc/23/63/84/1183236384.db2.gz OQJPTPDUNHDQHQ-OLZOCXBDSA-N 2 0 269.433 1.469 10 0 CDAERP CN(CCC[NH2+]CC1CCCC1)C(=O)C1(C[NH+](C)C)CC1 ZINC001733120901 1183297633 /nfs/dbraw/zinc/29/76/33/1183297633.db2.gz ALOCOQSQRUBWJK-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CC/C=C/CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001734029879 1183621719 /nfs/dbraw/zinc/62/17/19/1183621719.db2.gz JIAJNPXCOVWUKP-CNBITHIKSA-N 2 0 281.444 1.873 10 0 CDAERP CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001734168723 1183681414 /nfs/dbraw/zinc/68/14/14/1183681414.db2.gz QMTWQTLFOLYJPD-ZSOGYDGISA-N 2 0 267.417 1.032 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]CC)C1 ZINC001734219775 1183695595 /nfs/dbraw/zinc/69/55/95/1183695595.db2.gz WLWKABGFNSEJHK-JOCQHMNTSA-N 2 0 255.406 1.223 10 0 CDAERP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CC1CCC(O)CC1 ZINC001771782849 1186869828 /nfs/dbraw/zinc/86/98/28/1186869828.db2.gz TYNJCZUIYHERBW-QTPCEWDRSA-N 2 0 296.455 1.721 10 0 CDAERP C[C@H](C[NH2+]C/C=C/Cl)NC(=O)CC[NH+]1CCCCC1 ZINC001275039275 1166655414 /nfs/dbraw/zinc/65/54/14/1166655414.db2.gz QNKZABWJFHKRSR-VUDGCMKMSA-N 2 0 287.835 1.709 10 0 CDAERP C[C@H]1C[N@H+](CCCN[C@H]2C[NH+]3C[C@@H]2CCC3)CCCO1 ZINC000926286621 844012057 /nfs/dbraw/zinc/01/20/57/844012057.db2.gz IPIZDYOFIOBGML-JYJNAYRXSA-N 2 0 281.444 1.171 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)C2CC2)C1 ZINC000819182123 844021112 /nfs/dbraw/zinc/02/11/12/844021112.db2.gz IWRUEQXJYVAPDA-UKRRQHHQSA-N 2 0 254.418 1.715 10 0 CDAERP CCCNC(=O)CC[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000924732579 844036477 /nfs/dbraw/zinc/03/64/77/844036477.db2.gz ZFIYVRJAMFHUPW-UONOGXRCSA-N 2 0 267.417 1.509 10 0 CDAERP C[N@@H+]1CCN(C(=O)C23CC[NH+](CC2)C3)CCC1(C)C ZINC000864062094 844080295 /nfs/dbraw/zinc/08/02/95/844080295.db2.gz DFLULTROIWDAOJ-UHFFFAOYSA-N 2 0 265.401 1.025 10 0 CDAERP C([C@H]1CCC2(CCC2)O1)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000712453212 844080833 /nfs/dbraw/zinc/08/08/33/844080833.db2.gz SFHZNOVMCVKKNB-BFHYXJOUSA-N 2 0 250.386 1.772 10 0 CDAERP FC1(F)CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCC12CCOCC2 ZINC000925777475 844088502 /nfs/dbraw/zinc/08/85/02/844088502.db2.gz PEGVJZYXPCBCJG-NEPJUHHUSA-N 2 0 274.355 1.780 10 0 CDAERP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3C[C@]34CCOC4)C[C@@H]2C1 ZINC000931442691 844098376 /nfs/dbraw/zinc/09/83/76/844098376.db2.gz LVUADUNVANQGBD-QPSCCSFWSA-N 2 0 250.386 1.297 10 0 CDAERP C[NH+](C)C[C@@H]1CN(c2ncc(Cl)cn2)C[C@H]1C[NH+](C)C ZINC000866012418 844115973 /nfs/dbraw/zinc/11/59/73/844115973.db2.gz BTWOLFHCNWJBEN-VXGBXAGGSA-N 2 0 297.834 1.306 10 0 CDAERP CC[C@H](C(=O)N(C)CC[NH2+]Cc1cncc(F)c1)[NH+](C)C ZINC001317599590 1167460527 /nfs/dbraw/zinc/46/05/27/1167460527.db2.gz ZHLJHDHWYRKQKC-CQSZACIVSA-N 2 0 296.390 1.109 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCO[C@H](C2CC2)C1 ZINC000926185495 844320114 /nfs/dbraw/zinc/32/01/14/844320114.db2.gz YGMJPSQEJOZIRV-HAXBKTOASA-N 2 0 264.413 1.874 10 0 CDAERP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925817184 844343695 /nfs/dbraw/zinc/34/36/95/844343695.db2.gz ODBGQHTWGDSBHW-ZIAGYGMSSA-N 2 0 253.434 1.824 10 0 CDAERP C[C@H](C(=O)N[C@@H]1CCCC[C@@H]1C)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923503696 844384045 /nfs/dbraw/zinc/38/40/45/844384045.db2.gz LAWMZNJQJKATSG-UYJHQMFVSA-N 2 0 295.471 1.987 10 0 CDAERP CCO[C@H](C)c1noc(CN2CC[C@@H](C[NH3+])[C@@H](C)C2)n1 ZINC000923495712 844386925 /nfs/dbraw/zinc/38/69/25/844386925.db2.gz FGRIFUYJFGAXAV-TUAOUCFPSA-N 2 0 282.388 1.584 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000926151394 844431542 /nfs/dbraw/zinc/43/15/42/844431542.db2.gz UGQUOEJBDBWWAY-IAGOWNOFSA-N 3 0 297.487 1.951 10 0 CDAERP CC[N@H+](CCNC(=O)NCCC1(C[NH3+])CC1)C(C)C ZINC000846142544 844508281 /nfs/dbraw/zinc/50/82/81/844508281.db2.gz VIZSBPPDRYWGDV-UHFFFAOYSA-N 2 0 270.421 1.145 10 0 CDAERP C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1[NH2+]CCCF ZINC001570344976 1167574003 /nfs/dbraw/zinc/57/40/03/1167574003.db2.gz YJARENFKTMHYJR-STQMWFEESA-N 2 0 285.407 1.267 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@H](C)CC[NH+](C)C ZINC000713109268 843023681 /nfs/dbraw/zinc/02/36/81/843023681.db2.gz BMKHKSYVTUJXME-NEPJUHHUSA-N 2 0 257.422 1.452 10 0 CDAERP C[C@H](NC(=O)N[C@H]1CC[N@H+](C)[C@H]1C)C1=CC[NH+](C)CC1 ZINC000921881942 843052146 /nfs/dbraw/zinc/05/21/46/843052146.db2.gz XRNFVQXLLLDHST-OBJOEFQTSA-N 2 0 280.416 1.029 10 0 CDAERP C[C@H](O)[C@H](O)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000865738949 843119715 /nfs/dbraw/zinc/11/97/15/843119715.db2.gz QXPLNJBBCJPQRV-SWLSCSKDSA-N 2 0 270.417 1.115 10 0 CDAERP CN(CCCCCC[NH3+])C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872312363 843351565 /nfs/dbraw/zinc/35/15/65/843351565.db2.gz SNUFWYLJZLGYKO-DYEKYZERSA-N 2 0 253.390 1.091 10 0 CDAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CCCCCCO)CC2 ZINC000923453470 843351845 /nfs/dbraw/zinc/35/18/45/843351845.db2.gz MUPIFBLRKMJCIY-CQSZACIVSA-N 2 0 270.417 1.369 10 0 CDAERP COC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)[C@@H]1CCCOC1 ZINC000925781063 843354614 /nfs/dbraw/zinc/35/46/14/843354614.db2.gz WHIOETVWGVQHFZ-ZOBORPQBSA-N 2 0 268.401 1.288 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1CC[C@@H](C2CC2)O1)[C@@H]1CCC[NH2+]C1 ZINC000722319999 843365445 /nfs/dbraw/zinc/36/54/45/843365445.db2.gz KRDXARRGVNFUEJ-ATGSNQNLSA-N 2 0 252.402 1.922 10 0 CDAERP C[C@@H](c1cccc(O)c1)[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923313716 843393076 /nfs/dbraw/zinc/39/30/76/843393076.db2.gz XFHAMLGXTMWKHY-WFASDCNBSA-N 2 0 276.380 1.764 10 0 CDAERP Cn1ncc(CCC[NH2+][C@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)n1 ZINC000815640312 843773387 /nfs/dbraw/zinc/77/33/87/843773387.db2.gz UOXWZNJEPOPVMK-SOUVJXGZSA-N 2 0 277.416 1.210 10 0 CDAERP COC(=O)N(C)CC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925716926 843800820 /nfs/dbraw/zinc/80/08/20/843800820.db2.gz SSSCXSMJGJOWDF-QWRGUYRKSA-N 2 0 257.378 1.180 10 0 CDAERP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)CCC1(O)CCC1)C2 ZINC000930600801 843814401 /nfs/dbraw/zinc/81/44/01/843814401.db2.gz BHZJFNFPCDPFIO-HZPDHXFCSA-N 2 0 296.455 1.460 10 0 CDAERP COCCCC[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923450575 843822908 /nfs/dbraw/zinc/82/29/08/843822908.db2.gz WCPVEBMLIBVALJ-CYBMUJFWSA-N 2 0 256.390 1.243 10 0 CDAERP CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714487500 843827308 /nfs/dbraw/zinc/82/73/08/843827308.db2.gz SKUGLDUCTSMQBR-CHWSQXEVSA-N 2 0 283.460 1.987 10 0 CDAERP C[C@@H]1C[C@H]1NC(=[NH2+])NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000864449882 843842606 /nfs/dbraw/zinc/84/26/06/843842606.db2.gz BSEGIFBGSIXISU-FDYHWXHSSA-N 2 0 268.405 1.008 10 0 CDAERP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923511113 843850096 /nfs/dbraw/zinc/85/00/96/843850096.db2.gz ZBZVILHVMFTMAM-KBXIAJHMSA-N 2 0 281.444 1.693 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]CCCO[C@@H]2CCOC2)C12CCC2 ZINC000925553290 843857820 /nfs/dbraw/zinc/85/78/20/843857820.db2.gz QTTBEDJDBCXODD-UPJWGTAASA-N 2 0 254.374 1.042 10 0 CDAERP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000713009076 843877678 /nfs/dbraw/zinc/87/76/78/843877678.db2.gz NGCJCAPJAIEBOW-ZIAGYGMSSA-N 2 0 283.460 1.844 10 0 CDAERP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1cnc(Cl)n1C ZINC000848911497 843926926 /nfs/dbraw/zinc/92/69/26/843926926.db2.gz GDUACSLXGBMWRP-PWSUYJOCSA-N 2 0 270.808 1.846 10 0 CDAERP c1[nH]nc2c1[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)CCC2 ZINC000925844899 844638506 /nfs/dbraw/zinc/63/85/06/844638506.db2.gz DLOOIFFTKJGLLB-HNNXBMFYSA-N 2 0 291.443 1.452 10 0 CDAERP CCn1cc(CC[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cn1 ZINC000923492167 844651479 /nfs/dbraw/zinc/65/14/79/844651479.db2.gz WSDJSJHLVGLGME-OCCSQVGLSA-N 2 0 250.390 1.362 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+]C[C@]1(C(F)(F)F)CCCN1 ZINC000925852220 844673255 /nfs/dbraw/zinc/67/32/55/844673255.db2.gz FBTUCWNFNFOXFR-QWRGUYRKSA-N 2 0 267.339 1.778 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)CCCCC[NH3+])CC[N@@H+]1C ZINC000155783027 844811694 /nfs/dbraw/zinc/81/16/94/844811694.db2.gz DYJAYJMVUSQBGB-OLZOCXBDSA-N 2 0 255.406 1.447 10 0 CDAERP CC(C)OC[C@H](O)CN1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000700838739 844834487 /nfs/dbraw/zinc/83/44/87/844834487.db2.gz JXRXUPZRDZXOJT-IJLUTSLNSA-N 2 0 298.349 1.231 10 0 CDAERP [NH3+]C[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1C(F)(F)F ZINC000709798207 844879244 /nfs/dbraw/zinc/87/92/44/844879244.db2.gz FWMXCUNEFCTPNJ-OPRDCNLKSA-N 2 0 252.280 1.092 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2CC3(C2)OCCO3)[C@@H]2CCC[C@H]21 ZINC000927001968 844932356 /nfs/dbraw/zinc/93/23/56/844932356.db2.gz RBBDLGUFICXXRW-SOUVJXGZSA-N 2 0 280.412 1.602 10 0 CDAERP C[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1ccc(-n3cccn3)cc1)C2 ZINC000872153255 844982325 /nfs/dbraw/zinc/98/23/25/844982325.db2.gz FHNKVSKWSCLTGQ-DOTOQJQBSA-N 2 0 282.391 1.914 10 0 CDAERP CC[C@H](N)c1nc([C@H]2CN3CCC[C@@H]3CO2)no1 ZINC000091686107 845001096 /nfs/dbraw/zinc/00/10/96/845001096.db2.gz XMJUIFUQSABMSA-KXUCPTDWSA-N 2 0 252.318 1.015 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=[NH2+])NC[C@H]1CCCO1 ZINC000849047237 845102558 /nfs/dbraw/zinc/10/25/58/845102558.db2.gz RONSIYXUARKJEL-CYBMUJFWSA-N 2 0 270.421 1.257 10 0 CDAERP C[NH+](C)C1(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000841454958 845103911 /nfs/dbraw/zinc/10/39/11/845103911.db2.gz WTPFWIRDWIMFJM-HNNXBMFYSA-N 2 0 285.407 1.409 10 0 CDAERP CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723905694 845108533 /nfs/dbraw/zinc/10/85/33/845108533.db2.gz MHOULENMUOIRJO-YVECIDJPSA-N 2 0 255.406 1.206 10 0 CDAERP C[C@]1(C[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)CC[NH2+]C1 ZINC000843120140 845138511 /nfs/dbraw/zinc/13/85/11/845138511.db2.gz ZPMQTWYGZJLMOQ-ZFWWWQNUSA-N 2 0 278.400 1.155 10 0 CDAERP CCOC(=O)[C@@H]1C[C@H]1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000929328402 845192140 /nfs/dbraw/zinc/19/21/40/845192140.db2.gz WFYNUAZNXDHHMJ-LSDHHAIUSA-N 2 0 282.428 1.849 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000925827607 845215652 /nfs/dbraw/zinc/21/56/52/845215652.db2.gz QTKJFBFQALZLDF-GUTXKFCHSA-N 2 0 264.417 1.790 10 0 CDAERP C[NH+](C)C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H]1C[NH+](C)C ZINC000705830156 845294503 /nfs/dbraw/zinc/29/45/03/845294503.db2.gz YJOXYYJLZXWMIU-CHWSQXEVSA-N 2 0 269.433 1.230 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)[C@H](C)C1 ZINC000927056309 845325089 /nfs/dbraw/zinc/32/50/89/845325089.db2.gz CEOLVUYRVYJIDJ-RYPNDVFKSA-N 2 0 282.428 1.989 10 0 CDAERP C[C@@H]([NH2+]Cc1ccc(N2CCCCC2=O)cc1)C1C[NH2+]C1 ZINC000817895925 845364816 /nfs/dbraw/zinc/36/48/16/845364816.db2.gz XSXNYOLVEJONFR-CYBMUJFWSA-N 2 0 287.407 1.901 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)NCC2CC[NH+](C3CC3)CC2)CC[N@@H+]1C ZINC000922220625 845396715 /nfs/dbraw/zinc/39/67/15/845396715.db2.gz XZEDCECRQJXNCA-DOMZBBRYSA-N 2 0 294.443 1.253 10 0 CDAERP CCCCN1CCC([NH2+]C2CC(S(C)(=O)=O)C2)CC1 ZINC000716069636 845404989 /nfs/dbraw/zinc/40/49/89/845404989.db2.gz NTOLWUBDSDJNLE-UHFFFAOYSA-N 2 0 288.457 1.416 10 0 CDAERP C1C[C@@H]2C[C@H]([NH2+][C@H]3[C@@H]4OC[C@H]5C[C@H]3C[C@H]45)CC[N@@H+]2C1 ZINC000865697615 845439477 /nfs/dbraw/zinc/43/94/77/845439477.db2.gz ZYNYXBAHUQVFDG-VLUPQUSQSA-N 2 0 262.397 1.626 10 0 CDAERP O=C(NCC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)C1CC1 ZINC000925510541 845491966 /nfs/dbraw/zinc/49/19/66/845491966.db2.gz WRCYVGPZNBFZSS-CABCVRRESA-N 2 0 279.428 1.271 10 0 CDAERP Cc1c[nH+]ccc1N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000720399250 845526588 /nfs/dbraw/zinc/52/65/88/845526588.db2.gz OUAVREWFXPTHPX-UONOGXRCSA-N 2 0 263.410 1.804 10 0 CDAERP CC[NH2+]Cc1ccccc1NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000237055355 845550272 /nfs/dbraw/zinc/55/02/72/845550272.db2.gz AUMMYQBDVSSWPZ-ZDUSSCGKSA-N 2 0 293.436 1.830 10 0 CDAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3C[NH2+]CC3(C)C)CC[C@@H]21 ZINC000711375974 845573282 /nfs/dbraw/zinc/57/32/82/845573282.db2.gz GMEXPABLYYIDOC-MCIONIFRSA-N 2 0 279.428 1.175 10 0 CDAERP [NH3+][C@H](CNC(=O)CCC12CC(C1)C[NH2+]2)c1ccccc1 ZINC000870935173 845635297 /nfs/dbraw/zinc/63/52/97/845635297.db2.gz LQIYNTGNZJDCLI-CXOJTPOUSA-N 2 0 273.380 1.335 10 0 CDAERP CNC(=O)[C@@H](C)C[N@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923314755 845691729 /nfs/dbraw/zinc/69/17/29/845691729.db2.gz LTOLOTCTWGWTCY-FUDCBSFHSA-N 2 0 267.417 1.221 10 0 CDAERP C[N@H+](C[C@@H]1CC[C@H](C(F)(F)F)O1)C1CC[NH2+]CC1 ZINC000721446618 845699730 /nfs/dbraw/zinc/69/97/30/845699730.db2.gz RUMDGPQRHAYTDQ-WDEREUQCSA-N 2 0 266.307 1.780 10 0 CDAERP C[NH+]1C[C@]2(C)CN(Cc3ccc4nonc4c3)C[C@@]2(C)C1 ZINC000931314051 845703467 /nfs/dbraw/zinc/70/34/67/845703467.db2.gz IYVPVERPZQMHJY-HZPDHXFCSA-N 2 0 286.379 1.996 10 0 CDAERP C[C@H](CNC(=O)CCC12CC(C1)C[NH2+]2)[NH+]1CCCC1 ZINC000870917932 845718143 /nfs/dbraw/zinc/71/81/43/845718143.db2.gz FBWJXWWJDRRLTA-DNOWBOINSA-N 2 0 265.401 1.119 10 0 CDAERP O=C(CC[C@H]1CCC[NH2+]1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000261624367 845727369 /nfs/dbraw/zinc/72/73/69/845727369.db2.gz VDJGBZMHPNOOGA-ZIAGYGMSSA-N 2 0 265.401 1.215 10 0 CDAERP C[N@@H+]1CCCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000813364142 845742101 /nfs/dbraw/zinc/74/21/01/845742101.db2.gz HCTUUBQVWBQPJI-HNNXBMFYSA-N 2 0 285.407 1.363 10 0 CDAERP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCCC[NH3+] ZINC000841929664 845746777 /nfs/dbraw/zinc/74/67/77/845746777.db2.gz KLFOJKYFHGBQHQ-UHFFFAOYSA-N 2 0 278.400 1.238 10 0 CDAERP [NH3+]CCCCCCC[N@@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852754579 845783995 /nfs/dbraw/zinc/78/39/95/845783995.db2.gz WUMOVIXOPGLKJF-UHFFFAOYSA-N 2 0 265.401 1.765 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000852877815 845835701 /nfs/dbraw/zinc/83/57/01/845835701.db2.gz DLRYYODLIDLPSH-UHFFFAOYSA-N 2 0 271.364 1.216 10 0 CDAERP CC[C@H](NCC[C@H]1CCCS1(=O)=O)[C@@H]1CCC[NH2+]1 ZINC000925766589 845843739 /nfs/dbraw/zinc/84/37/39/845843739.db2.gz RCAVPXJVYUGOJJ-AGIUHOORSA-N 2 0 274.430 1.074 10 0 CDAERP CCC[N@@H+](CC(=O)N(C)C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000719271769 845862924 /nfs/dbraw/zinc/86/29/24/845862924.db2.gz SLODSFZQIDKBQG-AGUYFDCRSA-N 2 0 267.417 1.317 10 0 CDAERP C[NH+]1CCC(CCO)(N[C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000858185787 845919974 /nfs/dbraw/zinc/91/99/74/845919974.db2.gz YSYOHAKCADGAJP-AWEZNQCLSA-N 3 0 283.460 1.296 10 0 CDAERP CCC(CC)[N@H+](CCOC)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923304370 845979059 /nfs/dbraw/zinc/97/90/59/845979059.db2.gz GGOGJCIIQIUSRH-CQSZACIVSA-N 2 0 270.417 1.502 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000852861151 845994660 /nfs/dbraw/zinc/99/46/60/845994660.db2.gz PPCNHXLBNQKZLY-HNNXBMFYSA-N 2 0 277.412 1.383 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3[C@@H]2CCC[NH+]3C)CC[N@@H+]1C ZINC000874822918 846051798 /nfs/dbraw/zinc/05/17/98/846051798.db2.gz DPNPQKDHTXJPBP-YJNKXOJESA-N 2 0 279.428 1.412 10 0 CDAERP CC(C)C[N@H+](C)CCC[NH2+]Cc1cc[nH]c(=O)c1 ZINC000922217071 846071676 /nfs/dbraw/zinc/07/16/76/846071676.db2.gz KYJLZHHOHDDMFB-UHFFFAOYSA-N 2 0 251.374 1.855 10 0 CDAERP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CCO[C@@H]2CCOC2)C1 ZINC000923391870 846203714 /nfs/dbraw/zinc/20/37/14/846203714.db2.gz GAERAKXHJAEFHA-FPCVCCKLSA-N 2 0 298.427 1.153 10 0 CDAERP COCC[N@H+](C)CCC[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000924653767 846206214 /nfs/dbraw/zinc/20/62/14/846206214.db2.gz MLEIQNVVIWITLV-NFOMZHRRSA-N 2 0 270.417 1.502 10 0 CDAERP Cc1cc(NC(=O)CC[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)no1 ZINC000723887789 846248961 /nfs/dbraw/zinc/24/89/61/846248961.db2.gz XJTCJQUPDMADMZ-ZYHUDNBSSA-N 2 0 280.372 1.228 10 0 CDAERP C[C@@H]1C[C@@H]1NC(=[NH2+])NCC1([NH+]2CCSCC2)CCCC1 ZINC000864454553 846250902 /nfs/dbraw/zinc/25/09/02/846250902.db2.gz ODUOENITHQQPDZ-OLZOCXBDSA-N 2 0 296.484 1.870 10 0 CDAERP COC1(OC)CC[C@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000926558870 846299936 /nfs/dbraw/zinc/29/99/36/846299936.db2.gz KJKPZFQBKXHOEW-CYBMUJFWSA-N 2 0 256.390 1.602 10 0 CDAERP CCC[C@@](C)([NH3+])C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712671576 846368880 /nfs/dbraw/zinc/36/88/80/846368880.db2.gz QDCKIEJVMJKQCU-CQSZACIVSA-N 2 0 255.406 1.447 10 0 CDAERP C[N@H+](CCO[C@H]1CCOC1)C[C@@H]1CCC[NH+](C)C1 ZINC000929698873 846402265 /nfs/dbraw/zinc/40/22/65/846402265.db2.gz BCIVXTRXAIAZTB-KGLIPLIRSA-N 2 0 256.390 1.066 10 0 CDAERP C([NH2+][C@H]1CNCCOC1)C1C[C@H]2CC[C@@H](C1)S2 ZINC000925802832 846417474 /nfs/dbraw/zinc/41/74/74/846417474.db2.gz RMRJGKPJYRSSQU-FOIKRFTLSA-N 2 0 256.415 1.239 10 0 CDAERP c1ccc(CC[NH+]2CCN(CCC[NH2+]C3CC3)CC2)cc1 ZINC000923317715 846417604 /nfs/dbraw/zinc/41/76/04/846417604.db2.gz BRNLHONOPNNLEV-UHFFFAOYSA-N 2 0 287.451 1.989 10 0 CDAERP CC[N@H+](C)C[C@@H]1CC[NH+](CC2(O)CCCCC2)C1 ZINC000304756180 846450064 /nfs/dbraw/zinc/45/00/64/846450064.db2.gz ZQGWKURRHABIHO-AWEZNQCLSA-N 2 0 254.418 1.955 10 0 CDAERP C[N@H+](CCCC[NH+]1CCCCC1)C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000931702340 846504470 /nfs/dbraw/zinc/50/44/70/846504470.db2.gz BAKUXGQLNAIFLQ-IXDOHACOSA-N 2 0 296.455 1.988 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+][C@H]1CC(=O)N(CC2CC2)C1 ZINC000716815150 846530054 /nfs/dbraw/zinc/53/00/54/846530054.db2.gz NSJPOCKFMYFITI-YPMHNXCESA-N 2 0 253.390 1.104 10 0 CDAERP Cn1cncc1CC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925646477 846553517 /nfs/dbraw/zinc/55/35/17/846553517.db2.gz VFDMTMSVEYTBTF-NEPJUHHUSA-N 2 0 250.390 1.458 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000846691503 846555326 /nfs/dbraw/zinc/55/53/26/846555326.db2.gz NAQIHQFDLVVQJF-CQSZACIVSA-N 2 0 261.369 1.150 10 0 CDAERP C[N@H+](CCNC(=O)C[C@@H]([NH3+])C1CC1)C1CCCCC1 ZINC000827738400 846583733 /nfs/dbraw/zinc/58/37/33/846583733.db2.gz LIVSYHUWERWVLO-CQSZACIVSA-N 2 0 267.417 1.495 10 0 CDAERP CCCC[N@H+](C)CCN[C@H]1CC[NH2+]C12CCCC2 ZINC000925483599 846672563 /nfs/dbraw/zinc/67/25/63/846672563.db2.gz VNBBZHNMWRONCC-AWEZNQCLSA-N 2 0 253.434 1.983 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)C12CCC2 ZINC000925610692 846692892 /nfs/dbraw/zinc/69/28/92/846692892.db2.gz HAKFAXYDBBQNBL-KBRIMQKVSA-N 2 0 299.418 1.931 10 0 CDAERP Cc1nccn1-c1ncccc1CNC(=[NH2+])N[C@H]1C[C@@H]1C ZINC000864455153 846713963 /nfs/dbraw/zinc/71/39/63/846713963.db2.gz HXSUVZRIZKFOBA-GWCFXTLKSA-N 2 0 284.367 1.598 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCC1([NH+](C)C)CC1 ZINC000841715596 846736511 /nfs/dbraw/zinc/73/65/11/846736511.db2.gz BHEHBLDHTAKRFQ-CYBMUJFWSA-N 2 0 282.432 1.254 10 0 CDAERP Cc1cc(CC[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])nn1C ZINC000925833453 846741887 /nfs/dbraw/zinc/74/18/87/846741887.db2.gz JHKAJVAMZHYFSN-YOEHRIQHSA-N 2 0 286.423 1.819 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1cccc(C[NH3+])c1)C2 ZINC000872265924 846750326 /nfs/dbraw/zinc/75/03/26/846750326.db2.gz OFZWFYXYHAXCIC-IYBDPMFKSA-N 2 0 273.380 1.217 10 0 CDAERP C1C(NC2=[NH+]CCCCN2)CC1[NH+]1CCCCC1 ZINC000849217040 846786876 /nfs/dbraw/zinc/78/68/76/846786876.db2.gz VTSLLJFCJLODOW-UHFFFAOYSA-N 2 0 250.390 1.332 10 0 CDAERP CCn1nc(C)c([C@H](C)NCC2=CC[N@H+](C)CC2)n1 ZINC000925705823 846800679 /nfs/dbraw/zinc/80/06/79/846800679.db2.gz INIUVGXXFOBANJ-NSHDSACASA-N 2 0 263.389 1.519 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=[NH2+])N2CCO[C@H](C)C2)C1 ZINC000848988162 846832068 /nfs/dbraw/zinc/83/20/68/846832068.db2.gz JQHKBPOFTSIUFQ-QLFBSQMISA-N 2 0 296.459 1.599 10 0 CDAERP C[C@H]1C[C@@H](N(C)C(=O)NCC2([NH+](C)C)CC2)CC[N@@H+]1C ZINC000923006974 846843763 /nfs/dbraw/zinc/84/37/63/846843763.db2.gz GKFLZXDQKCCBLI-STQMWFEESA-N 2 0 282.432 1.205 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCN2CCCCC2)C1 ZINC000925532112 846847340 /nfs/dbraw/zinc/84/73/40/846847340.db2.gz CVLIRERJRWIZPG-KBPBESRZSA-N 2 0 253.434 1.968 10 0 CDAERP CC(C)n1cc([C@H](C)[NH2+]CCN2CCC([NH3+])CC2)cn1 ZINC000925812827 846858175 /nfs/dbraw/zinc/85/81/75/846858175.db2.gz ZUIUACJLPOIREW-ZDUSSCGKSA-N 2 0 279.432 1.538 10 0 CDAERP C[NH+](C)CC1(CN[C@@H]2CC[NH2+]C23CCC3)CCCC1 ZINC000925638801 846893043 /nfs/dbraw/zinc/89/30/43/846893043.db2.gz GFCFURUEFSDZFF-CQSZACIVSA-N 2 0 265.445 1.983 10 0 CDAERP C[C@H](CNC(=[NH2+])NC[C@@H]1CCCO1)[NH+]1CCCCC1 ZINC000848995634 846914064 /nfs/dbraw/zinc/91/40/64/846914064.db2.gz XRNYHXIIXOSUTM-OLZOCXBDSA-N 2 0 268.405 1.154 10 0 CDAERP Cn1cc(CC[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)nn1 ZINC000859214077 846914244 /nfs/dbraw/zinc/91/42/44/846914244.db2.gz VGWDYJRSMHZIBT-UHFFFAOYSA-N 2 0 287.411 1.551 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)C=C1CC[NH2+]CC1 ZINC000852886571 846924559 /nfs/dbraw/zinc/92/45/59/846924559.db2.gz PNRRYKFFXFIEDF-UHFFFAOYSA-N 2 0 253.390 1.096 10 0 CDAERP C[C@@H](C[NH+]1CCC(C)CC1)N[C@H]1CC[NH2+]C12CCC2 ZINC000925704247 846949659 /nfs/dbraw/zinc/94/96/59/846949659.db2.gz DFTNPOJGLJBBOX-GJZGRUSLSA-N 2 0 265.445 1.981 10 0 CDAERP C[C@@H]1C[N@H+](CCOCC(F)(F)C(F)F)CC[C@@H]1C[NH3+] ZINC000923494859 846963574 /nfs/dbraw/zinc/96/35/74/846963574.db2.gz PLTZXFNLNXUUTC-NXEZZACHSA-N 2 0 286.313 1.820 10 0 CDAERP CC(C)Oc1cccc(CN2CC[NH2+]CC[NH2+]CC2)c1 ZINC000923461756 847007937 /nfs/dbraw/zinc/00/79/37/847007937.db2.gz UPMRBPZOVYRGFG-UHFFFAOYSA-N 2 0 277.412 1.469 10 0 CDAERP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccnnc1 ZINC000925024718 847008753 /nfs/dbraw/zinc/00/87/53/847008753.db2.gz XAMSFXAFSWFWQD-HIFRSBDPSA-N 2 0 278.400 1.364 10 0 CDAERP [NH3+]CCOCC[N@@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156304 847080004 /nfs/dbraw/zinc/08/00/04/847080004.db2.gz HMYDOSZROJVAKZ-HOCLYGCPSA-N 3 0 283.460 1.581 10 0 CDAERP CC(C)OCCC[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923448925 847087820 /nfs/dbraw/zinc/08/78/20/847087820.db2.gz IJNVSTQDXCDSIR-CQSZACIVSA-N 2 0 270.417 1.631 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCCN3CCSC[C@H]23)C1 ZINC000720492810 847088494 /nfs/dbraw/zinc/08/84/94/847088494.db2.gz DQWOXIXUMCSQTP-ZOBORPQBSA-N 2 0 269.458 1.426 10 0 CDAERP C[C@]1(C[NH+]2CCC([C@@H]3CCCO3)CC2)CC[NH2+]C1 ZINC000261887279 847100899 /nfs/dbraw/zinc/10/08/99/847100899.db2.gz SGTQWYSPELIRSL-GJZGRUSLSA-N 2 0 252.402 1.877 10 0 CDAERP CC(C)CC[C@@H]([NH3+])C(=O)N1CC[NH2+]CCC1(C)C ZINC000872299915 847190157 /nfs/dbraw/zinc/19/01/57/847190157.db2.gz GDDIFNCSHAFKGG-GFCCVEGCSA-N 2 0 255.406 1.350 10 0 CDAERP CCC1([NH+](C)C)CCN(C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000715276286 847220960 /nfs/dbraw/zinc/22/09/60/847220960.db2.gz UVEKMFQLFMDYKM-HNNXBMFYSA-N 2 0 283.460 1.249 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]CCCOC2CCOCC2)C12CCC2 ZINC000925582740 847286781 /nfs/dbraw/zinc/28/67/81/847286781.db2.gz ZHZLZGVCNKXUAC-KGLIPLIRSA-N 2 0 268.401 1.432 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857857297 847332354 /nfs/dbraw/zinc/33/23/54/847332354.db2.gz SZYLMFFUKKTZDJ-KGLIPLIRSA-N 2 0 280.416 1.734 10 0 CDAERP C[N@@H+]1CCC[C@H]2CN(C(=O)CCC34CC(C3)C[NH2+]4)CC[C@@H]21 ZINC000870905951 847339102 /nfs/dbraw/zinc/33/91/02/847339102.db2.gz AZXFJDHTMZDEKN-GWUWNPHMSA-N 2 0 291.439 1.461 10 0 CDAERP C[C@@H]1CC[C@@]2(CC[N@H+](C[C@H](O)C[NH+]3CCCC3)C2)C1 ZINC000782106513 847351417 /nfs/dbraw/zinc/35/14/17/847351417.db2.gz HMEZCGYTYHITLV-BZUAXINKSA-N 2 0 266.429 1.955 10 0 CDAERP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccnc(Cl)c1 ZINC000925809520 847411730 /nfs/dbraw/zinc/41/17/30/847411730.db2.gz JMDGSKRPNQNLCT-NSHDSACASA-N 2 0 282.819 1.809 10 0 CDAERP Cc1nn(C)c(Cl)c1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000389113321 847448629 /nfs/dbraw/zinc/44/86/29/847448629.db2.gz LQUNZPFNRJFCHO-TXEJJXNPSA-N 2 0 282.819 1.813 10 0 CDAERP C[NH+](C)CCOCC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925648371 847479363 /nfs/dbraw/zinc/47/93/63/847479363.db2.gz ASAIJWICIJFYEO-CVEARBPZSA-N 3 0 283.460 1.323 10 0 CDAERP C[C@H]1CCC[N@@H+]1CCN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925624374 847485686 /nfs/dbraw/zinc/48/56/86/847485686.db2.gz WNZLVTPHJFKJFB-UONOGXRCSA-N 2 0 251.418 1.735 10 0 CDAERP O=C(CCC12CC(C1)C[NH2+]2)NCC[NH+]1CCCCCC1 ZINC000870864370 847504819 /nfs/dbraw/zinc/50/48/19/847504819.db2.gz JLTFNGZSNMDTCV-UHFFFAOYSA-N 2 0 279.428 1.511 10 0 CDAERP CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)NCCCCCC[NH3+] ZINC000843512761 847510387 /nfs/dbraw/zinc/51/03/87/847510387.db2.gz PMONMFOFENPZAL-XJKCOSOUSA-N 2 0 297.443 1.154 10 0 CDAERP CC[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)[C@H]1CCCOC1 ZINC000872020510 847510717 /nfs/dbraw/zinc/51/07/17/847510717.db2.gz HTXLAXCVLIKRJD-RDJZCZTQSA-N 2 0 297.487 1.807 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000849047250 847539041 /nfs/dbraw/zinc/53/90/41/847539041.db2.gz RYGQNRBKPIYGGW-CYBMUJFWSA-N 2 0 270.421 1.209 10 0 CDAERP [NH3+]CC[C@H]1CC[N@H+](Cc2cc(CO)ccc2F)C1 ZINC000923481567 847598856 /nfs/dbraw/zinc/59/88/56/847598856.db2.gz RJPUZUNHRFODNO-NSHDSACASA-N 2 0 252.333 1.489 10 0 CDAERP C[C@H]([NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23)C1CC[NH+](C)CC1 ZINC000866448857 847618212 /nfs/dbraw/zinc/61/82/12/847618212.db2.gz XNNKBSAQNLYRKZ-ZVCZDLMOSA-N 2 0 264.413 1.730 10 0 CDAERP c1cn(CC[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)cn1 ZINC000925507933 847622498 /nfs/dbraw/zinc/62/24/98/847622498.db2.gz DAULAULIOVXADZ-LSDHHAIUSA-N 2 0 262.401 1.641 10 0 CDAERP CC1(C)C[C@@H]([NH2+]CCCN2CCCC2=O)C[C@@H]([NH3+])C1 ZINC000925517659 847636680 /nfs/dbraw/zinc/63/66/80/847636680.db2.gz XRBDHWIFQDMNMM-OLZOCXBDSA-N 2 0 267.417 1.495 10 0 CDAERP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(C)nn1 ZINC000720588757 847703206 /nfs/dbraw/zinc/70/32/06/847703206.db2.gz YTBRODANYLQOQV-AEGPPILISA-N 2 0 260.385 1.653 10 0 CDAERP CCc1nccn1[C@@H]1CCCN(C(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000168346766 847745880 /nfs/dbraw/zinc/74/58/80/847745880.db2.gz LTUVDBNRHQTVNL-DOMZBBRYSA-N 2 0 294.374 1.311 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000870904792 847748242 /nfs/dbraw/zinc/74/82/42/847748242.db2.gz BGPYWQJXLLKKAB-NYTXWWLZSA-N 2 0 279.428 1.208 10 0 CDAERP C[C@H](C1CC1)[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000782183847 847760710 /nfs/dbraw/zinc/76/07/10/847760710.db2.gz AJYFWIFTHYNUPE-OCCSQVGLSA-N 2 0 265.401 1.023 10 0 CDAERP C[C@@H]1C[C@H]1NC(=[NH2+])NCC1(C[NH+](C)C)CCCC1 ZINC000864464195 847762722 /nfs/dbraw/zinc/76/27/22/847762722.db2.gz SSAKUQPVIJVHSZ-VXGBXAGGSA-N 2 0 252.406 1.631 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(C[NH3+])c2)[C@H](C)C1 ZINC000844188671 847764718 /nfs/dbraw/zinc/76/47/18/847764718.db2.gz XPQFXMZIVINNJV-CJNGLKHVSA-N 2 0 289.423 1.948 10 0 CDAERP CCC[N@H+](CC)CCNC(=[NH2+])N1CC[C@H](CC)C1 ZINC000864456400 847779397 /nfs/dbraw/zinc/77/93/97/847779397.db2.gz HKYHXFZDWBSHGL-ZDUSSCGKSA-N 2 0 254.422 1.975 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857865118 847810139 /nfs/dbraw/zinc/81/01/39/847810139.db2.gz LGQAABGGFWPKTJ-AWEZNQCLSA-N 2 0 280.416 1.735 10 0 CDAERP Cc1cc(CC[NH2+][C@H](C)C2CC[NH+](C)CC2)nn1C ZINC000926916316 847849014 /nfs/dbraw/zinc/84/90/14/847849014.db2.gz VJPWTKVPGHLTOH-CYBMUJFWSA-N 2 0 264.417 1.591 10 0 CDAERP Cn1ccnc1[C@H](O)C1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261942916 847861887 /nfs/dbraw/zinc/86/18/87/847861887.db2.gz DXFSFINRBKQZDW-ZBFHGGJFSA-N 2 0 292.427 1.165 10 0 CDAERP C([NH2+][C@@H]1CCCSC1)[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290738 847868986 /nfs/dbraw/zinc/86/89/86/847868986.db2.gz GVGHXYTZFJWDLD-CHWSQXEVSA-N 2 0 270.442 1.630 10 0 CDAERP CCCCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001566672811 1168383304 /nfs/dbraw/zinc/38/33/04/1168383304.db2.gz WQRJFVSGODJEGS-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001566802327 1168426937 /nfs/dbraw/zinc/42/69/37/1168426937.db2.gz PCIGLVPFUQBLNC-HDJSIYSDSA-N 2 0 267.417 1.531 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001483677631 912603402 /nfs/dbraw/zinc/60/34/02/912603402.db2.gz WSQRSWHDXGAVPH-STQMWFEESA-N 2 0 285.407 1.267 10 0 CDAERP CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001272299914 912727530 /nfs/dbraw/zinc/72/75/30/912727530.db2.gz DLCBMMDYTUJFBX-GJZGRUSLSA-N 2 0 281.444 1.613 10 0 CDAERP CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001272299915 912728996 /nfs/dbraw/zinc/72/89/96/912728996.db2.gz DLCBMMDYTUJFBX-HUUCEWRRSA-N 2 0 281.444 1.613 10 0 CDAERP C[NH+](C)CC1(C(=O)N2CC[C@H](CC[NH2+]CCCF)C2)CC1 ZINC001272547854 913412018 /nfs/dbraw/zinc/41/20/18/913412018.db2.gz YSWHQEKTNHXKAM-AWEZNQCLSA-N 2 0 299.434 1.516 10 0 CDAERP O=C(C[NH+]1CCCC1)NCCC[C@@H]1CCC[N@H+]1CCF ZINC001266244438 893899935 /nfs/dbraw/zinc/89/99/35/893899935.db2.gz POKLJPBPHLMCBF-CQSZACIVSA-N 2 0 285.407 1.413 10 0 CDAERP CC(C)CCC[N@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001480865534 894182497 /nfs/dbraw/zinc/18/24/97/894182497.db2.gz LFCZYJOUTRSSQB-INIZCTEOSA-N 2 0 295.471 1.812 10 0 CDAERP CCCCC[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001266480169 895029417 /nfs/dbraw/zinc/02/94/17/895029417.db2.gz LCNPTKFEUYBIHW-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP CCCC[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001266548704 895313868 /nfs/dbraw/zinc/31/38/68/895313868.db2.gz FWLUJBJNRPENAP-AWEZNQCLSA-N 2 0 267.417 1.320 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001266550722 895324207 /nfs/dbraw/zinc/32/42/07/895324207.db2.gz BYRWBQAKSXYOCJ-CYBMUJFWSA-N 2 0 255.406 1.175 10 0 CDAERP CCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001266565601 895382834 /nfs/dbraw/zinc/38/28/34/895382834.db2.gz GCLQPZDDMZDPQF-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP C[C@@H]1CCC[N@H+](C[C@@H](O)C(F)(F)F)[C@@H]1CCC[NH3+] ZINC000693438907 896091681 /nfs/dbraw/zinc/09/16/81/896091681.db2.gz DNYSXPMDTWKXDW-GMTAPVOTSA-N 2 0 268.323 1.749 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCCN(C)C/C=C/Cl)CC[N@@H+]1C ZINC001480903116 896371264 /nfs/dbraw/zinc/37/12/64/896371264.db2.gz NUBWNIIDQSQRKB-VFQZCJPISA-N 2 0 287.835 1.517 10 0 CDAERP CC1CCC(C[NH2+]CCN(C)C(=O)CC[NH+](C)C)CC1 ZINC001567555577 1168851486 /nfs/dbraw/zinc/85/14/86/1168851486.db2.gz TYUHUUXZSLQSTC-UHFFFAOYSA-N 2 0 283.460 1.812 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH+](C)CCCO ZINC001418823653 897138116 /nfs/dbraw/zinc/13/81/16/897138116.db2.gz YUZQBTILFLVIJP-HNNXBMFYSA-N 2 0 299.459 1.024 10 0 CDAERP CCCCCC[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001267212054 897168206 /nfs/dbraw/zinc/16/82/06/897168206.db2.gz KERKJPHUCQWZTG-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP CC(C)(C)NC(=O)CC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405212729 897568306 /nfs/dbraw/zinc/56/83/06/897568306.db2.gz DLZALVSCZLIFNH-QWRGUYRKSA-N 2 0 253.390 1.151 10 0 CDAERP CC(C)CC[N@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001480936260 897767734 /nfs/dbraw/zinc/76/77/34/897767734.db2.gz YZQVBAOMNRLLQK-CQSZACIVSA-N 2 0 269.433 1.422 10 0 CDAERP COC(=O)N(C)CC[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000690772495 897949799 /nfs/dbraw/zinc/94/97/99/897949799.db2.gz ZOKKLKXKTWYHEL-LBPRGKRZSA-N 2 0 257.378 1.006 10 0 CDAERP CC(C)[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001481170187 899042649 /nfs/dbraw/zinc/04/26/49/899042649.db2.gz HFADLZJGQWAMPS-OAHLLOKOSA-N 2 0 279.428 1.317 10 0 CDAERP CC[C@H](C)C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001481196678 899112887 /nfs/dbraw/zinc/11/28/87/899112887.db2.gz NJTROCJDPVDFCD-UONOGXRCSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC1(C[NH2+]CCF)CCCC1 ZINC001267847585 899864190 /nfs/dbraw/zinc/86/41/90/899864190.db2.gz ZGWPUQWJYQLUIG-ZIAGYGMSSA-N 2 0 299.434 1.847 10 0 CDAERP CC[C@@H](C(=O)N(C)CC[NH2+]Cc1cnccc1C)[NH+](C)C ZINC001481281198 899995873 /nfs/dbraw/zinc/99/58/73/899995873.db2.gz FBBSROVYRGUHEO-HNNXBMFYSA-N 2 0 292.427 1.278 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001268003656 900256831 /nfs/dbraw/zinc/25/68/31/900256831.db2.gz QYCOJSGEOFNNKP-HUUCEWRRSA-N 2 0 281.444 1.636 10 0 CDAERP CN(CC[NH2+]C/C=C\Cl)C(=O)CCC[NH+]1CCCC1 ZINC001481317520 900369740 /nfs/dbraw/zinc/36/97/40/900369740.db2.gz HPLCTYMAPKURAG-ALCCZGGFSA-N 2 0 287.835 1.663 10 0 CDAERP CC1CC(C[N@@H+]2CC[C@H](CCNC(=O)CC[NH+](C)C)C2)C1 ZINC001481446916 900689777 /nfs/dbraw/zinc/68/97/77/900689777.db2.gz LAWZLXFKNDZJKO-PCKAHOCUSA-N 2 0 295.471 1.812 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]CCF ZINC001268426570 902040985 /nfs/dbraw/zinc/04/09/85/902040985.db2.gz PRDWQAPQMHJOCH-QWHCGFSZSA-N 2 0 273.396 1.315 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]CCCF)CC1)[NH+](C)C ZINC001482026883 902484413 /nfs/dbraw/zinc/48/44/13/902484413.db2.gz SBYSCCOPRRAWTG-IHRRRGAJSA-N 2 0 287.423 1.703 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001482062453 902577442 /nfs/dbraw/zinc/57/74/42/902577442.db2.gz OZWWRUOBBZJCAS-CYBMUJFWSA-N 2 0 255.406 1.175 10 0 CDAERP Cc1nc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCC[N@@H+]2C)co1 ZINC001498526733 902750673 /nfs/dbraw/zinc/75/06/73/902750673.db2.gz YFRLNFPYCOKSKU-AWEZNQCLSA-N 2 0 294.399 1.015 10 0 CDAERP CCCC[NH2+]C[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001482155228 902778950 /nfs/dbraw/zinc/77/89/50/902778950.db2.gz WDUOSRMHBXLOEF-HNNXBMFYSA-N 2 0 283.460 1.860 10 0 CDAERP Cc1c(C(=O)N[C@H](C)C[NH2+]CCCF)ccc2c[nH+]cn21 ZINC001268651617 902900341 /nfs/dbraw/zinc/90/03/41/902900341.db2.gz KAWQYNQTVGTQDX-LLVKDONJSA-N 2 0 292.358 1.710 10 0 CDAERP C[C@H](C[NH2+]CC1CC(C)C1)NC(=O)CC[NH+](C)C ZINC001268660101 902914925 /nfs/dbraw/zinc/91/49/25/902914925.db2.gz FDUFPIYKXZFKLI-OTTFEQOBSA-N 2 0 255.406 1.079 10 0 CDAERP CC/C=C/CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268715337 903002869 /nfs/dbraw/zinc/00/28/69/903002869.db2.gz HDPQRSXAMLVRDS-BUHQSOCUSA-N 2 0 267.417 1.389 10 0 CDAERP CC/C=C\CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001269535419 903902659 /nfs/dbraw/zinc/90/26/59/903902659.db2.gz LHGPZCAWSYLFTA-ZRUQZJFASA-N 2 0 279.428 1.533 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001362874507 904119790 /nfs/dbraw/zinc/11/97/90/904119790.db2.gz QEJPGDHVDYMKRO-QLFBSQMISA-N 2 0 281.444 1.707 10 0 CDAERP CCC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001269837935 904139898 /nfs/dbraw/zinc/13/98/98/904139898.db2.gz KOMUIJUKABEVHO-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP COCCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H](C)C1 ZINC001269989526 904252683 /nfs/dbraw/zinc/25/26/83/904252683.db2.gz SWJKYPFIAMPLNO-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001270594852 904773351 /nfs/dbraw/zinc/77/33/51/904773351.db2.gz LATWYYZWTWUNFW-KGLIPLIRSA-N 2 0 267.417 1.246 10 0 CDAERP CCOCC[NH2+]C[C@H](C)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001482303817 904832600 /nfs/dbraw/zinc/83/26/00/904832600.db2.gz KUAGOALUQGJOPT-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000713067192 904941268 /nfs/dbraw/zinc/94/12/68/904941268.db2.gz JQLUNPFBYKCISV-STQMWFEESA-N 2 0 269.433 1.549 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)C(C)C ZINC001482368896 905213288 /nfs/dbraw/zinc/21/32/88/905213288.db2.gz JNFOYKPPXOKPBG-STQMWFEESA-N 2 0 275.412 1.511 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[C@@H]([NH+](C)CC)C1 ZINC001364285346 905530968 /nfs/dbraw/zinc/53/09/68/905530968.db2.gz ZGZBUDKGZZXOBZ-LSDHHAIUSA-N 2 0 298.475 1.842 10 0 CDAERP CC[NH2+]CC[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001482455032 905626932 /nfs/dbraw/zinc/62/69/32/905626932.db2.gz KLMHDJYYPZOTFA-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP COCC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001271450276 906435499 /nfs/dbraw/zinc/43/54/99/906435499.db2.gz UZXGQQLAFNKCSL-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP CCCC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001271838718 906881303 /nfs/dbraw/zinc/88/13/03/906881303.db2.gz OHKPNJFSYOMFCL-KFWWJZLASA-N 2 0 283.460 1.857 10 0 CDAERP C[C@@H](CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)[NH+]1CCCCC1 ZINC000841724300 908145045 /nfs/dbraw/zinc/14/50/45/908145045.db2.gz FHYZKVOBNPVZGI-ZFWWWQNUSA-N 2 0 294.443 1.397 10 0 CDAERP O=C(NC/C=C\C[NH2+]CC1CC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001483025072 908704416 /nfs/dbraw/zinc/70/44/16/908704416.db2.gz STFNHCHWODRTGJ-JIYQYTEPSA-N 2 0 291.439 1.675 10 0 CDAERP C[NH+](C)CC1(C(=O)NC2CC(C[NH2+]CC3CCC3)C2)CC1 ZINC001409264975 908937349 /nfs/dbraw/zinc/93/73/49/908937349.db2.gz FWYZOLBWAVYWGX-UHFFFAOYSA-N 2 0 293.455 1.613 10 0 CDAERP CCC[NH2+]C/C=C/CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001483088648 909310059 /nfs/dbraw/zinc/31/00/59/909310059.db2.gz XENONAIEDFVOEA-GWJCSSMESA-N 2 0 255.406 1.245 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH+](C)CC2CC2)CC[N@@H+]1C ZINC001483340937 910934791 /nfs/dbraw/zinc/93/47/91/910934791.db2.gz XLZCNMAXSZSLBA-VHDGCEQUSA-N 2 0 281.444 1.563 10 0 CDAERP CC[C@@H](F)C[NH2+]CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001483489578 911188656 /nfs/dbraw/zinc/18/86/56/911188656.db2.gz DUZNQOIAGXAMAU-CQSZACIVSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)[N@H+](C)CC1CC[NH+](C[C@H](O)C(C)(C)O)CC1 ZINC001364657516 921665749 /nfs/dbraw/zinc/66/57/49/921665749.db2.gz OKSTVJXTGGSTRX-AWEZNQCLSA-N 2 0 272.433 1.170 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](CC[NH2+]CCCF)C2)C1 ZINC001484537017 915863679 /nfs/dbraw/zinc/86/36/79/915863679.db2.gz CYBUMNSQOPQEJY-HUUCEWRRSA-N 2 0 299.434 1.516 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H](CC[NH2+]CCCF)C2)C1 ZINC001484547622 915875754 /nfs/dbraw/zinc/87/57/54/915875754.db2.gz SEKKKKIEUVCSKG-HUUCEWRRSA-N 2 0 299.434 1.516 10 0 CDAERP CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001484617463 915955662 /nfs/dbraw/zinc/95/56/62/915955662.db2.gz FLQHVDLVQAGUNS-CABCVRRESA-N 2 0 281.444 1.851 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001484619601 915959052 /nfs/dbraw/zinc/95/90/52/915959052.db2.gz JMDGULOYAJMFRM-LSDHHAIUSA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001493232222 936318280 /nfs/dbraw/zinc/31/82/80/936318280.db2.gz CKYMLIUJZKMUJY-AWEZNQCLSA-N 2 0 269.433 1.422 10 0 CDAERP CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001484760216 916128235 /nfs/dbraw/zinc/12/82/35/916128235.db2.gz UMKNBZFDHABZNF-CABCVRRESA-N 2 0 281.444 1.804 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NC2CC(C[NH2+]CCC3CC3)C2)C1 ZINC001485109820 916536758 /nfs/dbraw/zinc/53/67/58/916536758.db2.gz JQOMMZIXFSOYCA-SLTAFYQDSA-N 2 0 279.428 1.223 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C3CCCC3)[C@@H](C)C2)C1 ZINC001413563295 936184342 /nfs/dbraw/zinc/18/43/42/936184342.db2.gz SKXZQCYWHMUUOT-GJZGRUSLSA-N 2 0 293.455 1.804 10 0 CDAERP CCOCC[NH2+][C@@H](C)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001485167338 916603785 /nfs/dbraw/zinc/60/37/85/916603785.db2.gz VQRASJKAVPFGBC-KBPBESRZSA-N 2 0 297.443 1.134 10 0 CDAERP C[C@@H](NC(=O)CC[NH+]1CCCCC1)[C@H](C)[NH2+]CCF ZINC001485231216 916687416 /nfs/dbraw/zinc/68/74/16/916687416.db2.gz ZVEWNQMPEIGMQA-QWHCGFSZSA-N 2 0 273.396 1.315 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)CCC(C)(C)C ZINC001485287778 916759611 /nfs/dbraw/zinc/75/96/11/916759611.db2.gz SUQLBTFDNJYNCZ-KBPBESRZSA-N 2 0 283.460 1.953 10 0 CDAERP Cc1ccncc1C[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001485345660 916862789 /nfs/dbraw/zinc/86/27/89/916862789.db2.gz OJIQYXQXIVZKKA-AWEZNQCLSA-N 2 0 292.427 1.278 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCC[NH2+]CCF)CC[N@@H+]1C ZINC001485723027 917217117 /nfs/dbraw/zinc/21/71/17/917217117.db2.gz VMDDARRDSAROCR-MELADBBJSA-N 2 0 287.423 1.561 10 0 CDAERP CC/C=C\CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2ncc[nH]2)C1 ZINC001486129158 920733024 /nfs/dbraw/zinc/73/30/24/920733024.db2.gz MQRSJZBBHWUDRW-UUSXEQNQSA-N 2 0 290.411 1.888 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CCCF)C[C@@H]1C ZINC001486129347 920734902 /nfs/dbraw/zinc/73/49/02/920734902.db2.gz LRNVWVZMGLVQBP-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP CCOCC[NH2+]C[C@H](C)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001568303730 1169233875 /nfs/dbraw/zinc/23/38/75/1169233875.db2.gz CAZQVUKROKHPRK-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@@H](C)C[NH+]1CC([C@@H](C)NC(=O)C[N@H+](C)C(C)C)C1 ZINC001409960483 921920820 /nfs/dbraw/zinc/92/08/20/921920820.db2.gz CJYNPPWAMLEFST-ZIAGYGMSSA-N 2 0 283.460 1.809 10 0 CDAERP CCCCCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001568319708 1169242597 /nfs/dbraw/zinc/24/25/97/1169242597.db2.gz SFFLCJBQJLWZBR-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP COCCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001491080052 936851719 /nfs/dbraw/zinc/85/17/19/936851719.db2.gz IZPIVMDOGRJTNC-NMWPEEMBSA-N 2 0 297.443 1.133 10 0 CDAERP CC[N@@H+]1CCC[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001491108807 936859292 /nfs/dbraw/zinc/85/92/92/936859292.db2.gz DKGRVUNJJJRHGZ-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C[NH2+]CCC2CC2)C1 ZINC001491186931 936870380 /nfs/dbraw/zinc/87/03/80/936870380.db2.gz PMOICFYZZPHZLU-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H](C[NH2+]CCC3CC3)C2)C1 ZINC001491185515 936870496 /nfs/dbraw/zinc/87/04/96/936870496.db2.gz RJXHVAWIQGXUPP-JKSUJKDBSA-N 2 0 293.455 1.566 10 0 CDAERP COC[C@H](C)[N@H+](C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001410256637 925465483 /nfs/dbraw/zinc/46/54/83/925465483.db2.gz HXOCCICLZWZKIV-AWEZNQCLSA-N 2 0 297.443 1.040 10 0 CDAERP O=C(C[NH+]1CCCC1)NCCC[N@H+](CC1CCC1)C1CC1 ZINC001490393678 927147639 /nfs/dbraw/zinc/14/76/39/927147639.db2.gz JLWLOYFNYRLXBL-UHFFFAOYSA-N 2 0 293.455 1.853 10 0 CDAERP CC(C)N(CC[N@H+](C)CC1CCC1)C(=O)CC[NH+](C)C ZINC001411196206 927215705 /nfs/dbraw/zinc/21/57/05/927215705.db2.gz JRPXSBFIWUEZAF-UHFFFAOYSA-N 2 0 283.460 1.907 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)C1CC([NH2+]C[C@H](F)CC)C1 ZINC001411272645 927437767 /nfs/dbraw/zinc/43/77/67/927437767.db2.gz GBSAIPRJWQQGJP-IYXRBSQSSA-N 2 0 287.423 1.655 10 0 CDAERP C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1[NH2+]CCCF ZINC001274251498 931485131 /nfs/dbraw/zinc/48/51/31/931485131.db2.gz PKDQNVWLKOHUNM-STQMWFEESA-N 2 0 285.407 1.124 10 0 CDAERP O=C(NC/C=C\C[NH2+]CCCF)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001274429180 931499623 /nfs/dbraw/zinc/49/96/23/931499623.db2.gz BGTAJMVTIQNBQG-LYZXZYLJSA-N 2 0 297.418 1.625 10 0 CDAERP COCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001274498452 931504482 /nfs/dbraw/zinc/50/44/82/931504482.db2.gz LMRAKSLPSMGDST-YJQVQVLHSA-N 2 0 297.443 1.015 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CC1CC([NH3+])C1 ZINC000718136326 931595581 /nfs/dbraw/zinc/59/55/81/931595581.db2.gz AACPWKBWODHMCC-IYXRBSQSSA-N 2 0 267.417 1.495 10 0 CDAERP C[C@H](C[NH2+]C/C=C\Cl)NC(=O)CCC[NH+](C)C ZINC001274900438 931605530 /nfs/dbraw/zinc/60/55/30/931605530.db2.gz CASYBUSRIMDEQC-JPVGGKMYSA-N 2 0 261.797 1.175 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001274991716 931628385 /nfs/dbraw/zinc/62/83/85/931628385.db2.gz MWPBWGWYZRIYFC-KGLIPLIRSA-N 2 0 271.449 1.713 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H](C)[NH2+]CC=C(C)C ZINC001275530435 931858323 /nfs/dbraw/zinc/85/83/23/931858323.db2.gz VWHZNMVEPVJXCA-ZIAGYGMSSA-N 2 0 269.433 1.777 10 0 CDAERP CCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1C ZINC001275592995 931899834 /nfs/dbraw/zinc/89/98/34/931899834.db2.gz WMBJTYYJEFVWJM-QWHCGFSZSA-N 2 0 255.406 1.317 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N(C)CC[NH+]2CCCC2)C1 ZINC001411747585 931994198 /nfs/dbraw/zinc/99/41/98/931994198.db2.gz GICLUEWWTIACGB-HNNXBMFYSA-N 2 0 281.444 1.661 10 0 CDAERP CCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001275844316 932087361 /nfs/dbraw/zinc/08/73/61/932087361.db2.gz LTVVZSNEODPPNQ-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)C[NH2+]CC[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001326289716 932166215 /nfs/dbraw/zinc/16/62/15/932166215.db2.gz SLQXUJRISOKQQE-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H]1[C@H](C(=O)N(C)CCC[NH2+]CC2CCCC2)CC[N@@H+]1C ZINC001276007215 932228667 /nfs/dbraw/zinc/22/86/67/932228667.db2.gz MSDFLPPYGAGNBW-GDBMZVCRSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]3[C@H]2CCC[NH+]3C)C1 ZINC001412559394 932500069 /nfs/dbraw/zinc/50/00/69/932500069.db2.gz NRUGCNHCOWKDMP-HRCADAONSA-N 2 0 293.455 1.802 10 0 CDAERP CN(CC[NH+](C)C)C(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC001412622505 932566067 /nfs/dbraw/zinc/56/60/67/932566067.db2.gz ZGDWEHGXJKQZRQ-UHFFFAOYSA-N 2 0 279.384 1.509 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]CCCO[C@@H]2CCOC2)C12CCC2 ZINC000925553289 932904105 /nfs/dbraw/zinc/90/41/05/932904105.db2.gz QTTBEDJDBCXODD-JHJVBQTASA-N 2 0 254.374 1.042 10 0 CDAERP CCOC(=O)/C=C/C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000691899827 933175412 /nfs/dbraw/zinc/17/54/12/933175412.db2.gz XLJKMBNLXDXDSU-SNAWJCMRSA-N 2 0 280.412 1.914 10 0 CDAERP C[C@H](O)CCC[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000691910732 933264366 /nfs/dbraw/zinc/26/43/66/933264366.db2.gz GZUQBMDPYRTFOU-AWEZNQCLSA-N 2 0 254.418 1.955 10 0 CDAERP CCCCCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001490841539 934363258 /nfs/dbraw/zinc/36/32/58/934363258.db2.gz UGYTYMMLIRDNIA-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP OC1(C[NH+]2CCCCC2)CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC001460951356 935940259 /nfs/dbraw/zinc/94/02/59/935940259.db2.gz YQQHHTMDKBVTDZ-MRXNPFEDSA-N 2 0 296.455 1.726 10 0 CDAERP CC[NH+](CC)CC[C@@H](C)NC(=O)C[NH+](CC)CC ZINC001124049568 936276114 /nfs/dbraw/zinc/27/61/14/936276114.db2.gz YZDBPLCSYVSSIU-CYBMUJFWSA-N 2 0 257.422 1.565 10 0 CDAERP COCCOCCCC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405301120 940979974 /nfs/dbraw/zinc/97/99/74/940979974.db2.gz JLFIAZLGXZSQQV-OLZOCXBDSA-N 2 0 256.390 1.289 10 0 CDAERP C[NH+](C)CCCC1CC[NH+](CCNC(=O)C2CC2)CC1 ZINC001473281573 970773329 /nfs/dbraw/zinc/77/33/29/970773329.db2.gz BTOZBAYJOTWXBW-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP C[N@H+](CCCN1CC[NH+](C)CC1)CC12CC(C)(C1)OC2 ZINC001473347662 970782706 /nfs/dbraw/zinc/78/27/06/970782706.db2.gz MLDPQRGBGQYAAF-UHFFFAOYSA-N 2 0 281.444 1.125 10 0 CDAERP CCN(CC[NH2+]CC1CC(C)(C)C1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001568765655 1169467504 /nfs/dbraw/zinc/46/75/04/1169467504.db2.gz SDJYRHQLAVDLRD-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[NH2+]C1(CNC(=O)C[C@@H](C)n2ccnc2)CC1 ZINC001277189845 942151295 /nfs/dbraw/zinc/15/12/95/942151295.db2.gz RYLMJCKGASGINN-GFCCVEGCSA-N 2 0 264.373 1.481 10 0 CDAERP C[N@H+](C[C@@H](O)CN1CCCC[C@@]12CCOC2)C1CC1 ZINC001473895303 970885541 /nfs/dbraw/zinc/88/55/41/970885541.db2.gz GLICBUBAGDDOLZ-CABCVRRESA-N 2 0 268.401 1.087 10 0 CDAERP CC(C)C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001277356399 942418546 /nfs/dbraw/zinc/41/85/46/942418546.db2.gz RMCZGUGGPFRWQX-KGLIPLIRSA-N 2 0 269.433 1.469 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC(CC)([NH2+]CCCO)CC1 ZINC001281047416 942531070 /nfs/dbraw/zinc/53/10/70/942531070.db2.gz UKQZDYNMZIFPSU-UHFFFAOYSA-N 2 0 299.459 1.071 10 0 CDAERP C[C@@H](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CCCF ZINC001281714266 942613599 /nfs/dbraw/zinc/61/35/99/942613599.db2.gz RBTIYFQKKUDDIO-JSGCOSHPSA-N 2 0 285.407 1.172 10 0 CDAERP CC(C)[NH2+]CC1CC(NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001282052806 942650539 /nfs/dbraw/zinc/65/05/39/942650539.db2.gz JBLFMHAHFSXJME-JXQTWKCFSA-N 2 0 269.433 1.465 10 0 CDAERP COCCC[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001282478815 942720291 /nfs/dbraw/zinc/72/02/91/942720291.db2.gz QZVSLFTZZKXXCQ-HNNXBMFYSA-N 2 0 299.459 1.191 10 0 CDAERP CCCCC[NH+]1CC([C@H](C)NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001282724586 942745346 /nfs/dbraw/zinc/74/53/46/942745346.db2.gz ILSYRVFMCUFKSJ-DZGCQCFKSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[N@H+](C)CCOCCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001277541520 942942450 /nfs/dbraw/zinc/94/24/50/942942450.db2.gz GZWUVXXFINSIDX-GASCZTMLSA-N 2 0 299.459 1.332 10 0 CDAERP CC[C@H](C(=O)N1C[C@H]([NH2+]CCCF)C(C)(C)C1)[NH+](C)C ZINC001284293404 943140669 /nfs/dbraw/zinc/14/06/69/943140669.db2.gz PUQPLWCKKBKLOX-OLZOCXBDSA-N 2 0 287.423 1.513 10 0 CDAERP CCC[N@H+](C)CC(=O)NCC1=CC[NH+](CC[C@@H](C)F)CC1 ZINC001284976565 943306857 /nfs/dbraw/zinc/30/68/57/943306857.db2.gz JOUVYGKRNPKJDC-CQSZACIVSA-N 2 0 299.434 1.825 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001277933931 944108574 /nfs/dbraw/zinc/10/85/74/944108574.db2.gz ZSKDNUPSFKCFMG-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@@H]1[C@H](C(=O)NC[C@@H]([NH2+]CCCF)C2CC2)CC[N@@H+]1C ZINC001265355596 944357074 /nfs/dbraw/zinc/35/70/74/944357074.db2.gz ANSCVISHWPULHO-MRVWCRGKSA-N 2 0 285.407 1.171 10 0 CDAERP CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCC[NH+](C(C)C)C1 ZINC001362486690 971328343 /nfs/dbraw/zinc/32/83/43/971328343.db2.gz LCKNCKOJSXDDBS-LSDHHAIUSA-N 2 0 281.444 1.659 10 0 CDAERP CC[C@@H](C(=O)NCCC[N@H+](C)Cc1cc(C)no1)[NH+](C)C ZINC001479797287 971423833 /nfs/dbraw/zinc/42/38/33/971423833.db2.gz ZWUBDOBIAYHJAJ-AWEZNQCLSA-N 2 0 296.415 1.261 10 0 CDAERP COCCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001278422404 947872154 /nfs/dbraw/zinc/87/21/54/947872154.db2.gz CJLBKFAJDLTLHR-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CC[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)CCOC ZINC001479848581 971452778 /nfs/dbraw/zinc/45/27/78/971452778.db2.gz ZRQCQRJXPBGRFS-UHFFFAOYSA-N 2 0 297.443 1.089 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCCC[NH+]2C2CC2)CC[N@@H+]1C ZINC001362623332 971468065 /nfs/dbraw/zinc/46/80/65/971468065.db2.gz DWLMKKWESNIQDS-OFQRWUPVSA-N 2 0 293.455 1.850 10 0 CDAERP C[C@H](C[NH2+]CCF)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001569014408 1169596231 /nfs/dbraw/zinc/59/62/31/1169596231.db2.gz ZYAVZQKXSXUTOR-UKRRQHHQSA-N 2 0 299.434 1.847 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CC12CC[NH+](C/C=C/Cl)CC2 ZINC001479985661 971525718 /nfs/dbraw/zinc/52/57/18/971525718.db2.gz SVSBHTLRRMVHOV-MXPWBENCSA-N 2 0 299.846 1.661 10 0 CDAERP CC[C@@H](F)C[NH2+][C@@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001480045736 971551535 /nfs/dbraw/zinc/55/15/35/971551535.db2.gz YEVNTHCSECDNCK-CABCVRRESA-N 2 0 299.434 1.561 10 0 CDAERP O=C(N[C@H]1C[C@H]([NH2+]CCCF)C1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001480160769 971608609 /nfs/dbraw/zinc/60/86/09/971608609.db2.gz HNJVPEIBOYPUAY-KBUPBQIOSA-N 2 0 297.418 1.600 10 0 CDAERP CO[C@H](C)C[NH2+]C1CCC(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001480411200 971706864 /nfs/dbraw/zinc/70/68/64/971706864.db2.gz IEAOCFGSICUTHZ-WLYUNCDWSA-N 2 0 299.459 1.379 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1cccnc1 ZINC001480461815 971741705 /nfs/dbraw/zinc/74/17/05/971741705.db2.gz CEFHDDWZPLBQHY-GZBFAFLISA-N 2 0 290.411 1.016 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CC(C)C)C1 ZINC001480646783 971824862 /nfs/dbraw/zinc/82/48/62/971824862.db2.gz WDDMNHGZSJVHRR-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CCCO ZINC001480794039 971882456 /nfs/dbraw/zinc/88/24/56/971882456.db2.gz UWOZWOBPPIOQAG-GJZGRUSLSA-N 2 0 299.459 1.116 10 0 CDAERP CC(C)C[NH2+][C@H](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001480804316 971885563 /nfs/dbraw/zinc/88/55/63/971885563.db2.gz UEFZIENETUWDOG-ZIAGYGMSSA-N 2 0 269.433 1.469 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@](C)(C[NH2+]CCF)C1 ZINC001324817090 953589468 /nfs/dbraw/zinc/58/94/68/953589468.db2.gz BHNVBCYCDBUIRK-CQSZACIVSA-N 2 0 273.396 1.126 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1CC[C@H](C)F ZINC001493149838 971962089 /nfs/dbraw/zinc/96/20/89/971962089.db2.gz RJCZRGPWXHMWDX-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCC[NH+]2CCCF)C1 ZINC001493151682 971962341 /nfs/dbraw/zinc/96/23/41/971962341.db2.gz PBRXLAOTSCHTQV-KBPBESRZSA-N 2 0 285.407 1.268 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001493232012 971991055 /nfs/dbraw/zinc/99/10/55/971991055.db2.gz ZHISVYQBSWMNGR-KGLIPLIRSA-N 2 0 299.434 1.514 10 0 CDAERP C[NH+](C)C1(C(=O)NC[C@H]2CCC[N@H+](C)C2)CCCC1 ZINC001293241592 954341529 /nfs/dbraw/zinc/34/15/29/954341529.db2.gz RWGXOSCSBWZGHM-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001326432357 954380314 /nfs/dbraw/zinc/38/03/14/954380314.db2.gz ROSLFKCKQVVOKU-LSDHHAIUSA-N 2 0 281.444 1.422 10 0 CDAERP CC[N@H+](CCNC(=O)CC[C@@H]1CCC[NH+]1C)C1CC1 ZINC001493380187 972037346 /nfs/dbraw/zinc/03/73/46/972037346.db2.gz OFEJCADCSYDHKH-ZDUSSCGKSA-N 2 0 267.417 1.461 10 0 CDAERP CC(C)=CC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001327905033 955108540 /nfs/dbraw/zinc/10/85/40/955108540.db2.gz PVIBIQITSYRCCI-LSDHHAIUSA-N 2 0 293.455 1.731 10 0 CDAERP CC[C@H](F)C[NH2+][C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001491603431 955349575 /nfs/dbraw/zinc/34/95/75/955349575.db2.gz TWEOYNBAAMWDNE-JSGCOSHPSA-N 2 0 287.423 1.561 10 0 CDAERP CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001491808193 955475206 /nfs/dbraw/zinc/47/52/06/955475206.db2.gz IGRMVDLBRGMONV-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP COCC[NH2+][C@H]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001491874696 955486636 /nfs/dbraw/zinc/48/66/36/955486636.db2.gz QCQCXKKRCPXSGA-KBPBESRZSA-N 2 0 297.443 1.134 10 0 CDAERP CC[C@H](C(=O)N(C)CC[NH2+]CC[C@H]1CCCCO1)[NH+](C)C ZINC001493764792 972112061 /nfs/dbraw/zinc/11/20/61/972112061.db2.gz XAOFDTTVOQELBM-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC2CCC2)[C@@H](C)C1 ZINC001422027617 955710187 /nfs/dbraw/zinc/71/01/87/955710187.db2.gz KVKWYLVEQQQJMB-GOEBONIOSA-N 2 0 295.471 1.953 10 0 CDAERP COC[C@@H](C)[NH2+][C@@H](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001493836063 972123437 /nfs/dbraw/zinc/12/34/37/972123437.db2.gz IPBYZTGMKHOQPA-KGLIPLIRSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)[NH2+]CC=C(Cl)Cl ZINC001422393435 955979161 /nfs/dbraw/zinc/97/91/61/955979161.db2.gz TXMRHKAFLFZNRJ-NXEZZACHSA-N 2 0 296.242 1.740 10 0 CDAERP c1c(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)nn2c1CCC2 ZINC001365499711 956091450 /nfs/dbraw/zinc/09/14/50/956091450.db2.gz RBUXZSMVSWHYHP-UHFFFAOYSA-N 2 0 297.406 1.983 10 0 CDAERP CC(=O)[C@@](C)(O)C[N@H+]1C[C@@]23CN(C)C[C@]2(C1)CCCC3 ZINC001422507398 956103478 /nfs/dbraw/zinc/10/34/78/956103478.db2.gz XKFAESKMKXDFAR-HRCADAONSA-N 2 0 280.412 1.134 10 0 CDAERP Cc1ncoc1C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001422512337 956109308 /nfs/dbraw/zinc/10/93/08/956109308.db2.gz CSDHKEACUCUBCF-DGCLKSJQSA-N 2 0 294.399 1.062 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH+](C)CCCF ZINC001422537315 956129348 /nfs/dbraw/zinc/12/93/48/956129348.db2.gz ODLWKWMKEOZHPP-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP CC[N@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001317386646 956245089 /nfs/dbraw/zinc/24/50/89/956245089.db2.gz ZNQAAUZMFHHOPW-ZDUSSCGKSA-N 2 0 255.406 1.269 10 0 CDAERP CC(C)C[N@H+](C)C[C@H](C)NC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001422924454 956454751 /nfs/dbraw/zinc/45/47/51/956454751.db2.gz QGWZYNWLDFYVEJ-HOCLYGCPSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N[C@H](C[NH2+]CC2CCC2)C2CC2)C1 ZINC001423018114 956513877 /nfs/dbraw/zinc/51/38/77/956513877.db2.gz HOZLMDFKAFEHIU-XJKSGUPXSA-N 2 0 293.455 1.613 10 0 CDAERP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1)c1ccccc1 ZINC001366122720 956582452 /nfs/dbraw/zinc/58/24/52/956582452.db2.gz GRBRMBCSVWXIKO-FVQBIDKESA-N 2 0 289.423 1.936 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001366162625 956610891 /nfs/dbraw/zinc/61/08/91/956610891.db2.gz PJCTVMABWOEUGU-YUELXQCFSA-N 2 0 299.434 1.703 10 0 CDAERP CC[C@H](F)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001423209510 956672542 /nfs/dbraw/zinc/67/25/42/956672542.db2.gz OFYCMFJCDULWBL-KBPBESRZSA-N 2 0 299.434 1.846 10 0 CDAERP C[C@@H](F)CC[NH2+][C@@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001366363740 956770248 /nfs/dbraw/zinc/77/02/48/956770248.db2.gz MFKMEBULJOBXPW-KGLIPLIRSA-N 2 0 287.423 1.705 10 0 CDAERP Cc1cnc(C[NH2+][C@H](C)CCNC(=O)CC[NH+](C)C)s1 ZINC001366485904 956866613 /nfs/dbraw/zinc/86/66/13/956866613.db2.gz IXFWWHNOJLXCPB-LLVKDONJSA-N 2 0 298.456 1.388 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N(C)C1CC([NH2+]C(C)C)C1 ZINC001423688665 956941338 /nfs/dbraw/zinc/94/13/38/956941338.db2.gz RKOKWQSNCGJLRB-RUXDESIVSA-N 2 0 287.423 1.654 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]CCF)C1CC1 ZINC001331358278 956991182 /nfs/dbraw/zinc/99/11/82/956991182.db2.gz BIEMEILDBVOGQK-GJZGRUSLSA-N 2 0 299.434 1.657 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCF)C2 ZINC001423925455 957040015 /nfs/dbraw/zinc/04/00/15/957040015.db2.gz RZLTZUFSWRZKIT-KKUMJFAQSA-N 2 0 299.434 1.657 10 0 CDAERP CCOCC[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001331516636 957112895 /nfs/dbraw/zinc/11/28/95/957112895.db2.gz BNDAMCGUAWSEQI-AWEZNQCLSA-N 2 0 299.459 1.334 10 0 CDAERP CCCC[NH2+][C@H](C)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001331529586 957122616 /nfs/dbraw/zinc/12/26/16/957122616.db2.gz LPADKUGJVADXEU-CYBMUJFWSA-N 2 0 269.433 1.565 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001316987574 957183108 /nfs/dbraw/zinc/18/31/08/957183108.db2.gz UNEAZHGAVPVYCF-APHBUQMISA-N 2 0 293.455 1.875 10 0 CDAERP O=C(NC[C@H]([NH2+]CCCF)C1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001317013906 957201727 /nfs/dbraw/zinc/20/17/27/957201727.db2.gz QEAWBOKYNCSEEB-GJZGRUSLSA-N 2 0 297.418 1.172 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCC[C@H]2CC[NH+](CCF)C2)CC[N@@H+]1C ZINC001366837645 957217473 /nfs/dbraw/zinc/21/74/73/957217473.db2.gz UDZHRPRXCIMWKZ-KKUMJFAQSA-N 2 0 299.434 1.514 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H](C[NH2+]CCC2CC2)C1 ZINC001317158039 957312081 /nfs/dbraw/zinc/31/20/81/957312081.db2.gz PNAWWTFRAQWNTK-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP COCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001317184594 957330143 /nfs/dbraw/zinc/33/01/43/957330143.db2.gz MZZLGIWYLQXODV-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1CC[N@H+](C[C@H]2CCCCO2)C1)[NH+](C)C ZINC001367023032 957346743 /nfs/dbraw/zinc/34/67/43/957346743.db2.gz IOIABERXRQSDRF-RBSFLKMASA-N 2 0 297.443 1.086 10 0 CDAERP C[C@H](F)CC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001425302872 957509911 /nfs/dbraw/zinc/50/99/11/957509911.db2.gz GMEYSCQILGDGLO-STQMWFEESA-N 2 0 287.423 1.513 10 0 CDAERP C[NH+](C)CCCC(=O)N1C[C@]2(C)C[N@H+](CCF)C[C@]2(C)C1 ZINC001425378964 957521580 /nfs/dbraw/zinc/52/15/80/957521580.db2.gz OXEDYWXSMICJEF-IYBDPMFKSA-N 2 0 299.434 1.468 10 0 CDAERP CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001425511053 957547999 /nfs/dbraw/zinc/54/79/99/957547999.db2.gz RONMDMYNKLCJSS-JKSUJKDBSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CC1(C)C ZINC001332404320 957549215 /nfs/dbraw/zinc/54/92/15/957549215.db2.gz HIKDKCHOUVTTNM-HUUCEWRRSA-N 2 0 293.455 1.873 10 0 CDAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC1CC1 ZINC001425548643 957564486 /nfs/dbraw/zinc/56/44/86/957564486.db2.gz BRNMCDZTMQGLNA-HIFRSBDPSA-N 2 0 281.444 1.706 10 0 CDAERP CCCCC[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC001332444702 957567192 /nfs/dbraw/zinc/56/71/92/957567192.db2.gz VAEZGGFLQGWRNG-GJZGRUSLSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CCF ZINC001425582550 957574444 /nfs/dbraw/zinc/57/44/44/957574444.db2.gz UEVXAHFLTHPCNY-UKRRQHHQSA-N 2 0 299.434 1.799 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@]12CCC[C@@H]1[NH+](CCC)CC2 ZINC001425892615 957637133 /nfs/dbraw/zinc/63/71/33/957637133.db2.gz DMXUHVVYQAJPAN-GOEBONIOSA-N 2 0 281.444 1.851 10 0 CDAERP CCCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001317862264 957697411 /nfs/dbraw/zinc/69/74/11/957697411.db2.gz UXUHTWWMMHPYOY-HZPDHXFCSA-N 2 0 295.471 1.909 10 0 CDAERP CC(C)[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CCCC1 ZINC001367325820 957933402 /nfs/dbraw/zinc/93/34/02/957933402.db2.gz YPZRKESCVHFSSQ-UHFFFAOYSA-N 2 0 279.428 1.509 10 0 CDAERP CC/C=C\CC[NH2+][C@H](CC)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001318603094 958194084 /nfs/dbraw/zinc/19/40/84/958194084.db2.gz NUKYHZGBNCJEKW-NHQLZKDQSA-N 2 0 281.444 1.779 10 0 CDAERP CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CCCO ZINC001494982372 972361732 /nfs/dbraw/zinc/36/17/32/972361732.db2.gz YADNVUSWLYJOMM-CQSZACIVSA-N 2 0 299.459 1.118 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[NH+](CCF)C1 ZINC001368216318 958709852 /nfs/dbraw/zinc/70/98/52/958709852.db2.gz CQHSDYAABDPBIW-DZGCQCFKSA-N 2 0 285.407 1.268 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@]2(C)CCC[NH+](CC)C2)CC[N@@H+]1C ZINC001368219662 958710747 /nfs/dbraw/zinc/71/07/47/958710747.db2.gz SKIWXTRJTNUGDG-UXLLHSPISA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001368228278 958717199 /nfs/dbraw/zinc/71/71/99/958717199.db2.gz KTPAXRZBTSOMTE-CJNGLKHVSA-N 2 0 292.427 1.827 10 0 CDAERP CCO[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)CN(C)C ZINC001334388214 959074019 /nfs/dbraw/zinc/07/40/19/959074019.db2.gz AELMCVHZTHRARQ-RUXDESIVSA-N 2 0 257.422 1.060 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](C)CC2CC2)CC[N@@H+]1C ZINC001368951256 959315330 /nfs/dbraw/zinc/31/53/30/959315330.db2.gz AAKJABCLWOYPSE-VHDGCEQUSA-N 2 0 281.444 1.563 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001334824197 959392392 /nfs/dbraw/zinc/39/23/92/959392392.db2.gz TWQMRQYCFOJMSN-KGLIPLIRSA-N 3 0 251.418 1.308 10 0 CDAERP CCN(CC[NH2+]CC1CC1)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001320927674 959463574 /nfs/dbraw/zinc/46/35/74/959463574.db2.gz AVMBKNHNUGLGGD-ZIAGYGMSSA-N 2 0 281.444 1.707 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC2CC2)C1 ZINC001369271855 959598814 /nfs/dbraw/zinc/59/88/14/959598814.db2.gz WMHDCTBAEJBRTM-GOEBONIOSA-N 2 0 295.471 1.955 10 0 CDAERP COCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001321282411 959696799 /nfs/dbraw/zinc/69/67/99/959696799.db2.gz WIJHXEGFBOHGFZ-NFAHFFEMSA-N 2 0 297.443 1.158 10 0 CDAERP CC/C=C\CC[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001321746688 959930518 /nfs/dbraw/zinc/93/05/18/959930518.db2.gz MZBUYLJTFXQLIY-ZRUQZJFASA-N 2 0 267.417 1.533 10 0 CDAERP CC[N@H+](C)C[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001322258620 960156423 /nfs/dbraw/zinc/15/64/23/960156423.db2.gz OVGZRJZZDSEGGT-KBPBESRZSA-N 2 0 269.433 1.707 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CCc1ccccc1F ZINC001371356927 972485175 /nfs/dbraw/zinc/48/51/75/972485175.db2.gz ZPHYKARTNKGMIS-CYBMUJFWSA-N 2 0 295.402 1.414 10 0 CDAERP CCCCC[N@@H+]1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001323338468 960659401 /nfs/dbraw/zinc/65/94/01/960659401.db2.gz ZXILEOVHXOSUDD-AWEZNQCLSA-N 2 0 279.428 1.463 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CCC3(C[NH+](C)C3)C2)C1 ZINC001433953737 960803550 /nfs/dbraw/zinc/80/35/50/960803550.db2.gz ZPUTXZDYVCTTFG-UONOGXRCSA-N 2 0 279.428 1.271 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@@H+]1CCF ZINC001418745056 960971968 /nfs/dbraw/zinc/97/19/68/960971968.db2.gz GYDSQEFXRXLTNR-XQLPTFJDSA-N 2 0 297.418 1.076 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CC2CC2)[C@@H]1C)[NH+](C)C ZINC001418817711 961062606 /nfs/dbraw/zinc/06/26/06/961062606.db2.gz ACKDENAYCLBMPH-VHDGCEQUSA-N 2 0 281.444 1.562 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CC[C@H](C)F)C1)[NH+](C)C ZINC001419062962 961325876 /nfs/dbraw/zinc/32/58/76/961325876.db2.gz NOMAXWHGEXKVMM-MELADBBJSA-N 2 0 287.423 1.511 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001419082370 961353182 /nfs/dbraw/zinc/35/31/82/961353182.db2.gz XGODAZHJILDFPE-ZIAGYGMSSA-N 2 0 285.407 1.267 10 0 CDAERP CC[C@@H](F)C[NH+]1CCC2(C[C@@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001419213556 961505691 /nfs/dbraw/zinc/50/56/91/961505691.db2.gz VDDOBKRSIUFELO-KGLIPLIRSA-N 2 0 299.434 1.657 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnc(C)o2)C1)[NH+](C)C ZINC001419510518 961777593 /nfs/dbraw/zinc/77/75/93/961777593.db2.gz DOEQDNLCFOJTNZ-SCRDCRAPSA-N 2 0 294.399 1.060 10 0 CDAERP CCC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001419614166 961866954 /nfs/dbraw/zinc/86/69/54/961866954.db2.gz DIZPCIJAVSPAOO-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[NH2+]CCF ZINC001419877705 962191568 /nfs/dbraw/zinc/19/15/68/962191568.db2.gz CXOJOCIXEHRWJW-UONOGXRCSA-N 2 0 287.423 1.559 10 0 CDAERP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccsc1 ZINC001419920358 962238030 /nfs/dbraw/zinc/23/80/30/962238030.db2.gz IXRUTXKKRVKRHQ-GFCCVEGCSA-N 2 0 281.425 1.438 10 0 CDAERP CO[C@H](C)C[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001436414889 962238580 /nfs/dbraw/zinc/23/85/80/962238580.db2.gz PYLLXBJKMVRJBY-QLFBSQMISA-N 2 0 299.459 1.236 10 0 CDAERP C[NH+](C)CC1(C(=O)N2CCCCC[C@H]([NH2+]CCF)C2)CC1 ZINC001436481264 962277969 /nfs/dbraw/zinc/27/79/69/962277969.db2.gz VVWMBZTZUCCAQI-AWEZNQCLSA-N 2 0 299.434 1.659 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001419987471 962331211 /nfs/dbraw/zinc/33/12/11/962331211.db2.gz GCCOHOULQMRQPF-HUUCEWRRSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](F)CC[N@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001420050197 962419638 /nfs/dbraw/zinc/41/96/38/962419638.db2.gz MVQLBGWWBCNAGZ-CABCVRRESA-N 2 0 299.434 1.753 10 0 CDAERP CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+]CCF)[NH+]1CCCC1 ZINC001420164849 962514318 /nfs/dbraw/zinc/51/43/18/962514318.db2.gz LCPCAEOPHUYSMS-KBPBESRZSA-N 2 0 287.423 1.561 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCCC[NH+]1CC1CC1 ZINC001437043753 962577552 /nfs/dbraw/zinc/57/75/52/962577552.db2.gz DSDIZSCNUFMCSN-OAHLLOKOSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)C[NH2+][C@H](C)CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001437420862 962875618 /nfs/dbraw/zinc/87/56/18/962875618.db2.gz FDQZJJVIWJYYHV-HUUCEWRRSA-N 2 0 299.459 1.095 10 0 CDAERP CC[N@H+](CCNC(=O)Cn1ccnc1)CC[C@@H](C)F ZINC001420454016 962923041 /nfs/dbraw/zinc/92/30/41/962923041.db2.gz PVQQQRJHXHNOBO-GFCCVEGCSA-N 2 0 270.352 1.069 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC001437665901 963111091 /nfs/dbraw/zinc/11/10/91/963111091.db2.gz ZQDXTLWVAUDXON-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP COC[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001438444529 963450707 /nfs/dbraw/zinc/45/07/07/963450707.db2.gz FGLHYFQFBAJIOH-RBSFLKMASA-N 2 0 299.459 1.379 10 0 CDAERP CC[NH2+]Cc1ccc(CNC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001438445762 963450786 /nfs/dbraw/zinc/45/07/86/963450786.db2.gz KAVRHGUPQARWGH-INIZCTEOSA-N 2 0 289.423 1.754 10 0 CDAERP CC(C)[C@H](C(=O)NCC1C[NH+](CC[C@@H](C)F)C1)[NH+](C)C ZINC001421161496 963479606 /nfs/dbraw/zinc/47/96/06/963479606.db2.gz NBIJXGRMHUSCCL-TZMCWYRMSA-N 2 0 287.423 1.369 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@@H](C)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001438668209 963518267 /nfs/dbraw/zinc/51/82/67/963518267.db2.gz XZLIJDOLYQMCMU-KGLIPLIRSA-N 2 0 299.434 1.799 10 0 CDAERP CCN(CC[NH2+]C(C)C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001439079925 963631428 /nfs/dbraw/zinc/63/14/28/963631428.db2.gz FADYIAWTJATQRZ-HNNXBMFYSA-N 2 0 283.460 1.953 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH+](C)CC1CCCC1 ZINC001439401763 963751815 /nfs/dbraw/zinc/75/18/15/963751815.db2.gz MDSJTXMRYRWNAO-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[N@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001439409309 963754202 /nfs/dbraw/zinc/75/42/02/963754202.db2.gz POJFQDNXYYFVRS-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@H](C[N@H+](C)Cc1cccnc1)NC(=O)C[NH+]1CCCC1 ZINC001439412909 963756415 /nfs/dbraw/zinc/75/64/15/963756415.db2.gz WGMMCUUSUKWYDH-CQSZACIVSA-N 2 0 290.411 1.114 10 0 CDAERP CC(C)[C@H](C(=O)NCC1([NH2+]CCF)CCC1)[NH+]1CCCC1 ZINC001440357642 963998341 /nfs/dbraw/zinc/99/83/41/963998341.db2.gz UFSXMMRDETWDCB-CQSZACIVSA-N 2 0 299.434 1.705 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CCc1ccccc1 ZINC001440962084 964292798 /nfs/dbraw/zinc/29/27/98/964292798.db2.gz ICWQQBCOYNXGBS-HNNXBMFYSA-N 2 0 291.439 1.617 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001441347390 964470515 /nfs/dbraw/zinc/47/05/15/964470515.db2.gz LELVNINNUFCBFB-RWMBFGLXSA-N 2 0 271.380 1.019 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCC(F)(F)F)C1)[NH+](C)C ZINC001441482712 964540329 /nfs/dbraw/zinc/54/03/29/964540329.db2.gz HTSNXXOMVRRPRB-OUAUKWLOSA-N 2 0 295.349 1.516 10 0 CDAERP Cc1ncc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C)s1 ZINC001441790476 964713344 /nfs/dbraw/zinc/71/33/44/964713344.db2.gz RMZOFMWEIREXMM-MFKMUULPSA-N 2 0 296.440 1.140 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@H](C[NH2+]Cc2cncs2)C1 ZINC001442147229 964887523 /nfs/dbraw/zinc/88/75/23/964887523.db2.gz QPGYJKIKPUVYAT-GFCCVEGCSA-N 2 0 296.440 1.033 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CC[C@H](C)F ZINC001442639574 965156176 /nfs/dbraw/zinc/15/61/76/965156176.db2.gz OBACEXWSNSFMME-STQMWFEESA-N 2 0 273.396 1.267 10 0 CDAERP CCC[N@H+](CCF)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001442952273 965290883 /nfs/dbraw/zinc/29/08/83/965290883.db2.gz QQEFNLVZRMRUGD-CYBMUJFWSA-N 2 0 273.396 1.126 10 0 CDAERP CCC[N@H+](CCF)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001442952276 965293040 /nfs/dbraw/zinc/29/30/40/965293040.db2.gz QQEFNLVZRMRUGD-ZDUSSCGKSA-N 2 0 273.396 1.126 10 0 CDAERP CC(C)[C@H](CNC(=O)CC[NH+](C)C)[NH2+]C[C@@H]1CCCOC1 ZINC001444904404 965995189 /nfs/dbraw/zinc/99/51/89/965995189.db2.gz OUNRFUYSQHDUGI-GJZGRUSLSA-N 2 0 299.459 1.095 10 0 CDAERP CC(C)C[NH2+][C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001444926710 966005526 /nfs/dbraw/zinc/00/55/26/966005526.db2.gz BURPVRFZKIXMGP-GJZGRUSLSA-N 2 0 283.460 1.715 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C1CC1 ZINC001445985569 966406432 /nfs/dbraw/zinc/40/64/32/966406432.db2.gz SPGRHIQQJKDBAB-GJZGRUSLSA-N 2 0 281.444 1.754 10 0 CDAERP CCc1nccn1[C@@H](C)CC(=O)NC[C@@H]1CC[N@@H+]1C(C)C ZINC001446025045 966422818 /nfs/dbraw/zinc/42/28/18/966422818.db2.gz FDDJKSXQJOXFNY-KBPBESRZSA-N 2 0 292.427 1.996 10 0 CDAERP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)[C@@H](C)[NH2+]CC1CCC1 ZINC001447867219 966909033 /nfs/dbraw/zinc/90/90/33/966909033.db2.gz MSTOYEPHVLGPIO-CHWSQXEVSA-N 2 0 281.444 1.754 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[NH+](C[C@H](C)OC)CC1(C)C ZINC001448398069 967094734 /nfs/dbraw/zinc/09/47/34/967094734.db2.gz AHWPTCGNFFGGPF-KBPBESRZSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)CC[NH+](C)C)C1 ZINC001544112723 967337953 /nfs/dbraw/zinc/33/79/53/967337953.db2.gz MSIMBRNMLDINPY-UONOGXRCSA-N 2 0 269.433 1.421 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001449094123 967360053 /nfs/dbraw/zinc/36/00/53/967360053.db2.gz MJCATXDRUCNTKE-OLZOCXBDSA-N 2 0 287.423 1.513 10 0 CDAERP CO[C@@H](C)C[N@H+](C)CCN(C(=O)[C@H]1CC[NH+](C)C1)C(C)C ZINC001449280754 967418717 /nfs/dbraw/zinc/41/87/17/967418717.db2.gz PTDTUWDFMVWBBQ-GJZGRUSLSA-N 2 0 299.459 1.142 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC001450262065 967665775 /nfs/dbraw/zinc/66/57/75/967665775.db2.gz NRJMANHKTVIQDB-FRRDWIJNSA-N 2 0 255.406 1.125 10 0 CDAERP CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)[NH2+]C(C)(C)CC)C1 ZINC001457412847 969157493 /nfs/dbraw/zinc/15/74/93/969157493.db2.gz JIFGWTSCXMNJAB-QWHCGFSZSA-N 2 0 269.433 1.706 10 0 CDAERP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](C)CN2CCOCC2)C1 ZINC001459609170 969439678 /nfs/dbraw/zinc/43/96/78/969439678.db2.gz NCILALZLMBKDSY-DLBZAZTESA-N 2 0 297.487 1.618 10 0 CDAERP C[N@@H+]1C[C@]23C[NH+]([C@H]4CCOC4)C[C@@]2(C1)CCCC3 ZINC001473900578 969846607 /nfs/dbraw/zinc/84/66/07/969846607.db2.gz CLFNPGHDZIDWOX-SOUVJXGZSA-N 2 0 250.386 1.583 10 0 CDAERP O=C(CC[N@H+]1CC[C@H](F)C1)NCc1ccc2c[nH+]cn2c1 ZINC001468835077 970196622 /nfs/dbraw/zinc/19/66/22/970196622.db2.gz KLDMJQBTFFQQTR-ZDUSSCGKSA-N 2 0 290.342 1.384 10 0 CDAERP C[C@@H]1C[C@H]2CC[C@H](C(=O)NCCCC[NH+](C)C)C[N@@H+]2C1 ZINC001520987241 970252852 /nfs/dbraw/zinc/25/28/52/970252852.db2.gz SYMHZYXPKGRKFX-QLFBSQMISA-N 2 0 281.444 1.565 10 0 CDAERP CC[N@H+]1[C@H](C)CN(C(=O)CC[NH+]2CC[C@@H](F)C2)C[C@@H]1C ZINC001469607398 970260795 /nfs/dbraw/zinc/26/07/95/970260795.db2.gz BFWPXLXQMBLPOL-HZSPNIEDSA-N 2 0 285.407 1.361 10 0 CDAERP C[NH+](C)C1(C(=O)NCC23CCC[NH+](CCC2)C3)CC1 ZINC001521752022 970348966 /nfs/dbraw/zinc/34/89/66/970348966.db2.gz BDGPPXQRRWYORV-UHFFFAOYSA-N 2 0 265.401 1.073 10 0 CDAERP CCc1nc(CNC(=O)[C@@H](C(C)C)[NH+](C)C)c[nH]1 ZINC001472018953 970537389 /nfs/dbraw/zinc/53/73/89/970537389.db2.gz PNYLBWSOHOAFGS-GFCCVEGCSA-N 2 0 252.362 1.175 10 0 CDAERP CCCCCC[N@H+](C)CC(=O)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001472079994 970561916 /nfs/dbraw/zinc/56/19/16/970561916.db2.gz HCPJEMRGGYGOPO-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP C[N@H+](CCNC(=O)CC[NH+]1CC[C@@H](F)C1)C1CCCC1 ZINC001361948836 970707218 /nfs/dbraw/zinc/70/72/18/970707218.db2.gz YINJSCRLUWMQGQ-CYBMUJFWSA-N 2 0 285.407 1.411 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001371575056 972555790 /nfs/dbraw/zinc/55/57/90/972555790.db2.gz BLIJPMYWNKISKS-CABCVRRESA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H](C[NH2+]CC1CC1)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001496081239 972787864 /nfs/dbraw/zinc/78/78/64/972787864.db2.gz SWVHHZZYBMSUHT-ZFWWWQNUSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H](C[NH2+]Cc1cccc(F)c1)N(C)C(=O)CC[NH+](C)C ZINC001496148833 972817374 /nfs/dbraw/zinc/81/73/74/972817374.db2.gz HEKTYCXJUFTHAZ-ZDUSSCGKSA-N 2 0 295.402 1.714 10 0 CDAERP CC(C)[C@@H](C(=O)NC[C@H]1CC[N@H+](CCF)C1)[NH+]1CCCC1 ZINC001372677146 973078320 /nfs/dbraw/zinc/07/83/20/973078320.db2.gz CWTQQOQSXOOOGT-CABCVRRESA-N 2 0 299.434 1.514 10 0 CDAERP CN(CC[N@H+](C)CCC1CC1)C(=O)C[NH+]1CCCC1 ZINC001496836949 973115394 /nfs/dbraw/zinc/11/53/94/973115394.db2.gz WWHKFGJCLJJNGQ-UHFFFAOYSA-N 2 0 267.417 1.273 10 0 CDAERP C[C@H](CC[NH2+]CC[C@H](C)F)NC(=O)C1([NH+](C)C)CCC1 ZINC001497204691 973242796 /nfs/dbraw/zinc/24/27/96/973242796.db2.gz FGJSWVNGRFWMIK-QWHCGFSZSA-N 2 0 287.423 1.703 10 0 CDAERP C[N@H+](C/C=C/Cl)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001373278292 973342360 /nfs/dbraw/zinc/34/23/60/973342360.db2.gz KOQMKWCSNCRLGS-SZBGIYDQSA-N 2 0 299.846 1.613 10 0 CDAERP CCN(CC[NH2+]CCC1CC1)C(=O)C1CC[NH+](C)CC1 ZINC001497448078 973352070 /nfs/dbraw/zinc/35/20/70/973352070.db2.gz STBWTJQZSWXECO-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001373594238 973509831 /nfs/dbraw/zinc/50/98/31/973509831.db2.gz OOSIQCZVXIJPMN-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@H](C[NH2+]CC1CC1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001497831776 973541190 /nfs/dbraw/zinc/54/11/90/973541190.db2.gz VCOMWXBIAZYTMY-TZMCWYRMSA-N 2 0 267.417 1.365 10 0 CDAERP CC1CC(C[NH2+][C@H]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001418133272 973605575 /nfs/dbraw/zinc/60/55/75/973605575.db2.gz WDMYCLLVBSTDCX-ZMYVRHLSSA-N 2 0 293.455 1.754 10 0 CDAERP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001418164075 973618928 /nfs/dbraw/zinc/61/89/28/973618928.db2.gz QBFDGOHCYOELKJ-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](C[NH2+]Cc1cncs1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001498045150 973646655 /nfs/dbraw/zinc/64/66/55/973646655.db2.gz IEQHQWQKPYIZPS-DMDPSCGWSA-N 2 0 296.440 1.078 10 0 CDAERP C[C@@H](C[NH2+]Cc1cncs1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001498060031 973653606 /nfs/dbraw/zinc/65/36/06/973653606.db2.gz KQBKOAOGFBGODB-WCQYABFASA-N 2 0 296.440 1.222 10 0 CDAERP CC[NH2+][C@@H](C)CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001418295671 973733680 /nfs/dbraw/zinc/73/36/80/973733680.db2.gz HPOKINXEEAZKTE-DZGCQCFKSA-N 2 0 277.412 1.794 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[C@H](C)[NH2+]CCF)C1 ZINC001418413630 973807825 /nfs/dbraw/zinc/80/78/25/973807825.db2.gz RSMUATLZGWPJLX-UONOGXRCSA-N 2 0 287.423 1.562 10 0 CDAERP COCCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001498290050 973811437 /nfs/dbraw/zinc/81/14/37/973811437.db2.gz XTOXSFSPMZRLOB-RRFJBIMHSA-N 2 0 299.459 1.190 10 0 CDAERP CCC[NH2+]CCCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001498587711 973990441 /nfs/dbraw/zinc/99/04/41/973990441.db2.gz SRYNPISOCFRKAA-HUUCEWRRSA-N 2 0 281.444 1.851 10 0 CDAERP CC[C@H](F)C[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001498597662 973993925 /nfs/dbraw/zinc/99/39/25/973993925.db2.gz MMJZUQKHKLWZFS-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001374945237 974187983 /nfs/dbraw/zinc/18/79/83/974187983.db2.gz VGMXAMNCQMPLST-HIFRSBDPSA-N 2 0 283.460 1.859 10 0 CDAERP Cc1cccc(C[NH2+]C[C@H](C)NC(=O)C[NH+]2CCCC2)c1 ZINC001374978509 974198972 /nfs/dbraw/zinc/19/89/72/974198972.db2.gz YRVDQONISBCZTE-HNNXBMFYSA-N 2 0 289.423 1.685 10 0 CDAERP CC(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001500125944 974379152 /nfs/dbraw/zinc/37/91/52/974379152.db2.gz KPDKCLQHUJRZIN-HZPDHXFCSA-N 2 0 295.471 1.859 10 0 CDAERP CCCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001500235171 974407010 /nfs/dbraw/zinc/40/70/10/974407010.db2.gz PYESULJXYWWCIH-HIFRSBDPSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001375507941 974407882 /nfs/dbraw/zinc/40/78/82/974407882.db2.gz ZBINTEBILBNCTE-KGLIPLIRSA-N 2 0 279.428 1.650 10 0 CDAERP CC[C@H](C(=O)N1CC[C@](C)(C[NH2+]CCC2CC2)C1)[NH+](C)C ZINC001500392607 974430922 /nfs/dbraw/zinc/43/09/22/974430922.db2.gz FMXXPSRNOBCZFP-NVXWUHKLSA-N 2 0 295.471 1.955 10 0 CDAERP CCCC[NH+]1CC(N(C)C(=O)CCC[NH+]2CCCC2)C1 ZINC001375724074 974464714 /nfs/dbraw/zinc/46/47/14/974464714.db2.gz LPBHXQLSOVKROA-UHFFFAOYSA-N 2 0 281.444 1.805 10 0 CDAERP CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001501070655 974526099 /nfs/dbraw/zinc/52/60/99/974526099.db2.gz ICIFBJMOKONVME-CHWSQXEVSA-N 2 0 255.406 1.175 10 0 CDAERP C[C@H]([NH2+]CCCF)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001501066763 974526655 /nfs/dbraw/zinc/52/66/55/974526655.db2.gz JLQWVQKAHUIXLK-ZFWWWQNUSA-N 2 0 299.434 1.514 10 0 CDAERP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](CCC[C@@H](C)O)C1 ZINC001376065688 974549379 /nfs/dbraw/zinc/54/93/79/974549379.db2.gz ARONKYDDFCUCQW-CABCVRRESA-N 2 0 299.459 1.068 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@H+](CCC(C)(C)C)C2)CC1 ZINC001376154678 974587514 /nfs/dbraw/zinc/58/75/14/974587514.db2.gz RLIGIWBZHHXUCE-CQSZACIVSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]CCC2CC2)CCC1 ZINC001376820561 974782384 /nfs/dbraw/zinc/78/23/84/974782384.db2.gz SIOPOZWAIPVXQA-UHFFFAOYSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]CCC1CCCC1 ZINC001377282047 974955749 /nfs/dbraw/zinc/95/57/49/974955749.db2.gz VEBCRDVMPMALMM-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](CCNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CCF ZINC001377443143 975030040 /nfs/dbraw/zinc/03/00/40/975030040.db2.gz BMHRSWSOPJUGQE-STQMWFEESA-N 2 0 273.396 1.315 10 0 CDAERP CCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001377758451 975129026 /nfs/dbraw/zinc/12/90/26/975129026.db2.gz UWMCZGBQNUTHIU-GJZGRUSLSA-N 2 0 281.444 1.661 10 0 CDAERP CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001507013512 975295963 /nfs/dbraw/zinc/29/59/63/975295963.db2.gz PMDLAQZDMWTYFN-RRFJBIMHSA-N 2 0 281.444 1.563 10 0 CDAERP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]C[C@@H]1CCCCO1 ZINC001507154013 975356702 /nfs/dbraw/zinc/35/67/02/975356702.db2.gz LRVKEWZIAQGTEA-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C[NH2+]CC1CC1 ZINC001378595982 975410017 /nfs/dbraw/zinc/41/00/17/975410017.db2.gz NZNCGZMHTFJZOX-YDHLFZDLSA-N 2 0 281.444 1.469 10 0 CDAERP CCC[N@@H+]1CC[C@@]2(NC(=O)CCC[NH+](C)C)CCC[C@H]12 ZINC001507349439 975426202 /nfs/dbraw/zinc/42/62/02/975426202.db2.gz UVTQVOBGCNOJLI-HOCLYGCPSA-N 2 0 281.444 1.851 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)CCC2CC2)C1 ZINC001404594844 975431692 /nfs/dbraw/zinc/43/16/92/975431692.db2.gz GCWPCYBOEDDGOP-INIZCTEOSA-N 2 0 295.471 1.907 10 0 CDAERP CC(C)[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001378782082 975489249 /nfs/dbraw/zinc/48/92/49/975489249.db2.gz KQAHVLSBEPMYPW-SOUVJXGZSA-N 2 0 281.444 1.563 10 0 CDAERP CC[C@@H](C(=O)NC1C[NH+](CC2CCC(C)CC2)C1)[NH+](C)C ZINC001404831732 975503891 /nfs/dbraw/zinc/50/38/91/975503891.db2.gz ZNLMRXQPVSSCFB-XUJLQICISA-N 2 0 295.471 1.953 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CCCC1 ZINC001404983034 975570191 /nfs/dbraw/zinc/57/01/91/975570191.db2.gz WTJZQCGQKSWUCB-HOTGVXAUSA-N 2 0 293.455 1.804 10 0 CDAERP Cc1ccncc1C[N@@H+](C)CCN(C)C(=O)CC[NH+](C)C ZINC001379097217 975661789 /nfs/dbraw/zinc/66/17/89/975661789.db2.gz SNGWLZPXGXTTPG-UHFFFAOYSA-N 2 0 292.427 1.232 10 0 CDAERP CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)[C@@H]21 ZINC001397741493 975696571 /nfs/dbraw/zinc/69/65/71/975696571.db2.gz IOLDEUNFDLYODR-FVQBIDKESA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)[NH2+]CC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001401606588 975728152 /nfs/dbraw/zinc/72/81/52/975728152.db2.gz QRXGISNZCYJHTL-HUUCEWRRSA-N 2 0 283.460 2.000 10 0 CDAERP CC(C)[NH2+]C1(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)CCCC1 ZINC001405787768 975863572 /nfs/dbraw/zinc/86/35/72/975863572.db2.gz YTFVVMVKFSKVGC-INIZCTEOSA-N 2 0 293.455 1.899 10 0 CDAERP C[C@H](O)CCC[NH+]1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001398187318 975880354 /nfs/dbraw/zinc/88/03/54/975880354.db2.gz DRYKRJYYEUPJFJ-AWEZNQCLSA-N 2 0 299.459 1.022 10 0 CDAERP CC(C)C[C@H](C)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001389520509 975884318 /nfs/dbraw/zinc/88/43/18/975884318.db2.gz ZACCLAOHXZTWBM-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ocnc1C)[NH+](C)C ZINC001405904642 975930266 /nfs/dbraw/zinc/93/02/66/975930266.db2.gz SEAQKVMZNDRCAZ-AAEUAGOBSA-N 2 0 296.415 1.260 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@@]12CCC[C@H]1[N@H+](CCF)CC2 ZINC001379634919 975973315 /nfs/dbraw/zinc/97/33/15/975973315.db2.gz RHBCWDCNTLWJPC-UKRRQHHQSA-N 2 0 285.407 1.411 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]([NH2+]CC(C)C)C(C)C)[NH+](C)C ZINC001406040710 975981176 /nfs/dbraw/zinc/98/11/76/975981176.db2.gz NVDZFFFHOSNDHY-ZIAGYGMSSA-N 2 0 271.449 1.713 10 0 CDAERP C[C@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1CCC1CC1 ZINC001379651183 975986593 /nfs/dbraw/zinc/98/65/93/975986593.db2.gz GLMBPWBLPLFYAF-ZFWWWQNUSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@H](F)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001401948628 976035879 /nfs/dbraw/zinc/03/58/79/976035879.db2.gz PLVQKFKWBMSZHA-FRRDWIJNSA-N 2 0 285.407 1.313 10 0 CDAERP CCC[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001401957606 976039491 /nfs/dbraw/zinc/03/94/91/976039491.db2.gz STKPLDOINLXYES-KBPBESRZSA-N 2 0 279.428 1.652 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC([N@H+](CCF)CC2CC2)CC1 ZINC001401995223 976061361 /nfs/dbraw/zinc/06/13/61/976061361.db2.gz AUGUQAOOWPMOAB-UHFFFAOYSA-N 2 0 299.434 1.611 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001389999718 976078417 /nfs/dbraw/zinc/07/84/17/976078417.db2.gz AXBKTQFSSYJPEV-STNZKUDTSA-N 2 0 273.808 1.318 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001398629466 976083009 /nfs/dbraw/zinc/08/30/09/976083009.db2.gz RUGOFGUXAFDXKS-BGFSKCPMSA-N 2 0 271.792 1.070 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)CC[C@H]21 ZINC001406200930 976091325 /nfs/dbraw/zinc/09/13/25/976091325.db2.gz XXXRMDWZCPAGDJ-HUUCEWRRSA-N 2 0 281.444 1.517 10 0 CDAERP CC(C)CCC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001402090448 976118703 /nfs/dbraw/zinc/11/87/03/976118703.db2.gz GJWRLJYRXYLNNY-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+](C/C=C/Cl)C1 ZINC001402125861 976134262 /nfs/dbraw/zinc/13/42/62/976134262.db2.gz FQVACJFXSKPDOU-WXJAXGNASA-N 2 0 273.808 1.271 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NC2CCC([NH2+]C/C=C\Cl)CC2)C1 ZINC001398858113 976182359 /nfs/dbraw/zinc/18/23/59/976182359.db2.gz ZODOTYQVNWASNX-LPYVSAGWSA-N 2 0 299.846 1.708 10 0 CDAERP CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001390584343 976377736 /nfs/dbraw/zinc/37/77/36/976377736.db2.gz DKJVGKYPTAEFSR-STQMWFEESA-N 2 0 273.396 1.124 10 0 CDAERP CCC(CC)C[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001406783183 976405280 /nfs/dbraw/zinc/40/52/80/976405280.db2.gz GZKLHMIVMWNIQY-HZPDHXFCSA-N 2 0 295.471 1.859 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H](C)CCNC(=O)C[NH+]1CCCC1 ZINC001390719030 976452297 /nfs/dbraw/zinc/45/22/97/976452297.db2.gz LMZMTXJGAVFPME-CHWSQXEVSA-N 2 0 273.396 1.315 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001402757197 976469371 /nfs/dbraw/zinc/46/93/71/976469371.db2.gz OPWHDTVVMZSWTN-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP C[NH+](C)CCC(=O)NCC[N@H+](C)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001399566193 976570800 /nfs/dbraw/zinc/57/08/00/976570800.db2.gz DNVXGNMHNULVNC-QLFBSQMISA-N 2 0 281.444 1.422 10 0 CDAERP CC(C)C[NH2+]CC1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001402944033 976605353 /nfs/dbraw/zinc/60/53/53/976605353.db2.gz IFVVSXSCWBNILV-NFOMZHRRSA-N 2 0 281.444 1.469 10 0 CDAERP CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001407245286 976615638 /nfs/dbraw/zinc/61/56/38/976615638.db2.gz VCGYJBZAVXWBEQ-ZBFHGGJFSA-N 2 0 279.428 1.176 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC[N@@H+](C)CC2CCC2)C1 ZINC001399648216 976621376 /nfs/dbraw/zinc/62/13/76/976621376.db2.gz XFRZEZKPAFWQLP-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cccnc1 ZINC001403012639 976661532 /nfs/dbraw/zinc/66/15/32/976661532.db2.gz NFULESNWSLNTFQ-ZIAGYGMSSA-N 2 0 292.427 1.406 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CCC[NH+]1CC1CC1 ZINC001391058875 976668577 /nfs/dbraw/zinc/66/85/77/976668577.db2.gz WOKBSRWAGLXWLO-JKSUJKDBSA-N 2 0 293.455 1.851 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+]CCC(C)(C)C ZINC001403072472 976692960 /nfs/dbraw/zinc/69/29/60/976692960.db2.gz DRFOUKXFYXGMJH-ZDUSSCGKSA-N 2 0 271.449 1.859 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+](CCC(C)C)C1 ZINC001391114258 976696302 /nfs/dbraw/zinc/69/63/02/976696302.db2.gz RCSLHJSBLHZNBK-OAHLLOKOSA-N 2 0 283.460 1.812 10 0 CDAERP CCC[N@H+](CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)C1CC1 ZINC001391183389 976748567 /nfs/dbraw/zinc/74/85/67/976748567.db2.gz KXRUACAAXFOLBD-JKSUJKDBSA-N 2 0 293.455 1.994 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CCCF)CC1 ZINC001407880664 976811073 /nfs/dbraw/zinc/81/10/73/976811073.db2.gz GHKMMJGJCNIYOD-CQSZACIVSA-N 2 0 287.423 1.657 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)C1C[NH+](CCC(C)C)C1 ZINC001403355687 976904374 /nfs/dbraw/zinc/90/43/74/976904374.db2.gz RIUIITWSXBFEJO-CQSZACIVSA-N 2 0 283.460 1.811 10 0 CDAERP CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001403376980 976918603 /nfs/dbraw/zinc/91/86/03/976918603.db2.gz FZDSFQBTDQXGTN-ZIAGYGMSSA-N 2 0 283.460 1.809 10 0 CDAERP C[C@H](F)CC[NH+]1CC(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001391506937 976924704 /nfs/dbraw/zinc/92/47/04/976924704.db2.gz ROWNLANNWIONNE-OLZOCXBDSA-N 2 0 285.407 1.124 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)CC[C@H]1CCOC1 ZINC001381642649 976965471 /nfs/dbraw/zinc/96/54/71/976965471.db2.gz HLLUJZGFVMFUBE-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)CC[N@H+](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001403584858 977082585 /nfs/dbraw/zinc/08/25/85/977082585.db2.gz HNJHEGYLILAGOE-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C ZINC001403816521 977210566 /nfs/dbraw/zinc/21/05/66/977210566.db2.gz IEDAXEXWIAAXLV-GJZGRUSLSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]C/C=C\Cl ZINC001400836781 977217829 /nfs/dbraw/zinc/21/78/29/977217829.db2.gz WZVIZQXCSGBKAK-BZGOVLQXSA-N 2 0 287.835 1.708 10 0 CDAERP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccsc1 ZINC001400844844 977223296 /nfs/dbraw/zinc/22/32/96/977223296.db2.gz DYPLUZDSBXHGQI-ZDUSSCGKSA-N 2 0 283.441 1.684 10 0 CDAERP CC[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001569847698 1170016048 /nfs/dbraw/zinc/01/60/48/1170016048.db2.gz WVEWUOJCZANRCU-OLZOCXBDSA-N 2 0 255.406 1.032 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1C[C@@H](C)CC ZINC001404015276 977305814 /nfs/dbraw/zinc/30/58/14/977305814.db2.gz IAEVCEFWHDFVAF-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H]1[C@H](C(=O)N(C)C2CC([NH2+]C/C=C\Cl)C2)CC[N@@H+]1C ZINC001382575418 977310530 /nfs/dbraw/zinc/31/05/30/977310530.db2.gz NLFRUHNWIWOADT-OLMSAWBPSA-N 2 0 299.846 1.658 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N(C)CC[NH+](C)CC2CCC2)CC[N@@H+]1C ZINC001392297907 977395568 /nfs/dbraw/zinc/39/55/68/977395568.db2.gz LZKDKVISJMBBLQ-HOCLYGCPSA-N 2 0 295.471 1.907 10 0 CDAERP Cc1ncc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)o1 ZINC001392597459 977499287 /nfs/dbraw/zinc/49/92/87/977499287.db2.gz PVBHKZFJCIIULI-FZMZJTMJSA-N 2 0 294.399 1.062 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001392836788 977619822 /nfs/dbraw/zinc/61/98/22/977619822.db2.gz MIRQSZYCQURRRV-GJZGRUSLSA-N 2 0 283.460 1.809 10 0 CDAERP CC[C@H](F)C[N@H+](C)[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001394100051 978063312 /nfs/dbraw/zinc/06/33/12/978063312.db2.gz FFULPXLPDAQVPL-JSGCOSHPSA-N 2 0 287.423 1.513 10 0 CDAERP CC(C)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C1 ZINC001675479134 1174117350 /nfs/dbraw/zinc/11/73/50/1174117350.db2.gz FXHXBSGGXJGMSK-CQSZACIVSA-N 2 0 283.460 1.953 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]C/C=C\Cl)C(C)(C)C ZINC001677282533 1174344556 /nfs/dbraw/zinc/34/45/56/1174344556.db2.gz VEEAPWOZSNWHNE-VFFGBVLKSA-N 2 0 289.851 1.811 10 0 CDAERP CC(C)[NH+]1CCC([C@@H](C)NC(=O)CC[NH+](C)C)CC1 ZINC001677337938 1174350661 /nfs/dbraw/zinc/35/06/61/1174350661.db2.gz LEXWJGXYYSQCQZ-CYBMUJFWSA-N 2 0 269.433 1.563 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC2CC(C[NH2+]CCCF)C2)C1 ZINC001570578029 1170195133 /nfs/dbraw/zinc/19/51/33/1170195133.db2.gz BBUHFZRTCNVLEF-IYXRBSQSSA-N 2 0 285.407 1.172 10 0 CDAERP CC(C)=CC[NH+]1CC([C@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001570854110 1170301678 /nfs/dbraw/zinc/30/16/78/1170301678.db2.gz PGTGLVPUKMQIRA-CABCVRRESA-N 2 0 293.455 1.731 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccc(CC[NH3+])cc1 ZINC000070553003 1171669606 /nfs/dbraw/zinc/66/96/06/1171669606.db2.gz CQIKEQUPBYKEOG-HNNXBMFYSA-N 2 0 275.396 1.354 10 0 CDAERP CC(C)CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001656176568 1171783758 /nfs/dbraw/zinc/78/37/58/1171783758.db2.gz YWGIBRLEXKLSNK-OAGGEKHMSA-N 2 0 295.471 1.859 10 0 CDAERP CCOC(=O)C1(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000600150110 341980212 /nfs/dbraw/zinc/98/02/12/341980212.db2.gz WPBHZZNZYXEAKE-LBPRGKRZSA-N 2 0 268.401 1.792 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000618560780 349485420 /nfs/dbraw/zinc/48/54/20/349485420.db2.gz OTRFPNPKQIVIQT-CQSZACIVSA-N 2 0 284.448 1.310 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)C1 ZINC000618556315 349483197 /nfs/dbraw/zinc/48/31/97/349483197.db2.gz ANBQYNBGJDJSIW-BFHYXJOUSA-N 2 0 280.416 1.007 10 0 CDAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCC1(C[NH3+])CC1 ZINC000650748193 398175022 /nfs/dbraw/zinc/17/50/22/398175022.db2.gz PQKVCEUVJHFLGB-LLVKDONJSA-N 3 0 262.401 1.628 10 0 CDAERP CCOC(=O)c1ncc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)s1 ZINC000601325565 342553512 /nfs/dbraw/zinc/55/35/12/342553512.db2.gz MDVGRDMGTWZKNA-NSHDSACASA-N 2 0 297.424 1.881 10 0 CDAERP C(CN1CC[C@@H](C[NH+]2CCCCC2)C1)OC1CCOCC1 ZINC000625189105 342039150 /nfs/dbraw/zinc/03/91/50/342039150.db2.gz FCKVZMWUNOGZMJ-INIZCTEOSA-N 2 0 296.455 1.990 10 0 CDAERP C[NH2+]C[C@H]1CCCN(C(=O)c2ccc(C[NH3+])cc2)C1 ZINC000237312064 342059307 /nfs/dbraw/zinc/05/93/07/342059307.db2.gz UTHVMIJUBJGNQC-CYBMUJFWSA-N 2 0 261.369 1.217 10 0 CDAERP Cc1cc(C[NH+]2CCC3(C[C@@H]([NH+](C)C)CO3)CC2)n(C)n1 ZINC000096089945 185094773 /nfs/dbraw/zinc/09/47/73/185094773.db2.gz VEAHQAHRMZPKOU-OAHLLOKOSA-N 2 0 292.427 1.414 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCCN2CCCC2=O)[C@@H](C)C1 ZINC000533529838 282128141 /nfs/dbraw/zinc/12/81/41/282128141.db2.gz UDLPNGHWLXXFKK-LSDHHAIUSA-N 2 0 281.444 1.661 10 0 CDAERP C[N@H+](CCNC(=O)N[C@H]1CCC[NH+](C)C1)C1CCCC1 ZINC000591571306 342637447 /nfs/dbraw/zinc/63/74/47/342637447.db2.gz IKCJRKYWGMWBFA-ZDUSSCGKSA-N 2 0 282.432 1.254 10 0 CDAERP CCOC(=O)CCCC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592181461 342679158 /nfs/dbraw/zinc/67/91/58/342679158.db2.gz DMWRVKPNSAPGIS-UHFFFAOYSA-N 2 0 298.427 1.516 10 0 CDAERP c1ccc(C[N@@H+]2CC[C@@H]3CC[NH2+]CCN3CC2)cc1 ZINC000096897783 185126082 /nfs/dbraw/zinc/12/60/82/185126082.db2.gz ACVQRCHUPDITPK-INIZCTEOSA-N 2 0 259.397 1.556 10 0 CDAERP C[C@H](Cc1ccc(F)cc1)[NH2+]CCOCCC[NH3+] ZINC000629398877 361918543 /nfs/dbraw/zinc/91/85/43/361918543.db2.gz ZWORRBZQCNLDHZ-GFCCVEGCSA-N 2 0 254.349 1.712 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](C)Oc1ccccc1F ZINC000422793760 536595219 /nfs/dbraw/zinc/59/52/19/536595219.db2.gz SSXBCFJZLSJXOR-CHWSQXEVSA-N 2 0 284.375 1.937 10 0 CDAERP [NH3+]CC1(CCNC(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000652183918 539038581 /nfs/dbraw/zinc/03/85/81/539038581.db2.gz QJMSLMORLVMESR-UHFFFAOYSA-N 2 0 294.443 1.289 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+]CC2(C)CCC2)CC1 ZINC000434753865 539044484 /nfs/dbraw/zinc/04/44/84/539044484.db2.gz GYBGQTZNZDENMS-UHFFFAOYSA-N 2 0 253.434 1.794 10 0 CDAERP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccc2c(c1)OCC(=O)N2 ZINC000333303420 539051697 /nfs/dbraw/zinc/05/16/97/539051697.db2.gz QLKLYKOTINTJQC-GVXVVHGQSA-N 2 0 289.379 1.666 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)NCCC[NH3+])C1CCCCC1 ZINC000417003936 282175390 /nfs/dbraw/zinc/17/53/90/282175390.db2.gz CBYNWPILLJMUOH-ZDUSSCGKSA-N 2 0 270.421 1.145 10 0 CDAERP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000594918386 342986001 /nfs/dbraw/zinc/98/60/01/342986001.db2.gz QXODPPVOHPFGGM-BYCMXARLSA-N 2 0 280.412 1.791 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000594922974 342987914 /nfs/dbraw/zinc/98/79/14/342987914.db2.gz COPRZLPABIXHKQ-NILFDRSVSA-N 2 0 280.412 1.648 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC[N@@H+]1C ZINC000631151255 362023180 /nfs/dbraw/zinc/02/31/80/362023180.db2.gz ZVBUNAIIINPBOU-OWCLPIDISA-N 2 0 293.455 1.804 10 0 CDAERP COC(=O)[C@@H](C)C[N@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000595891444 343182022 /nfs/dbraw/zinc/18/20/22/343182022.db2.gz IADBQSIPEIEOFA-LBPRGKRZSA-N 2 0 276.380 1.573 10 0 CDAERP Cn1ncc(C(F)(F)F)c1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000629511839 362122168 /nfs/dbraw/zinc/12/21/68/362122168.db2.gz BGGNYJWJVFOKJZ-DTWKUNHWSA-N 2 0 276.306 1.798 10 0 CDAERP [NH3+]CCCCC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645104213 362117849 /nfs/dbraw/zinc/11/78/49/362117849.db2.gz ISIYKNWFCIFVAB-STQMWFEESA-N 2 0 253.390 1.106 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645105262 362118402 /nfs/dbraw/zinc/11/84/02/362118402.db2.gz XSXMUQHBRMDLLE-AVGNSLFASA-N 2 0 253.390 1.104 10 0 CDAERP CCC[NH2+][C@H](C)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000645104525 362118997 /nfs/dbraw/zinc/11/89/97/362118997.db2.gz OAGLGNXCSLBJLS-MGPQQGTHSA-N 2 0 267.417 1.365 10 0 CDAERP COC[C@H]1C[N@H+](C)CC12CC[NH+](Cc1ccncc1)CC2 ZINC000169789851 362141289 /nfs/dbraw/zinc/14/12/89/362141289.db2.gz LYXVFTZIXWUOIF-MRXNPFEDSA-N 2 0 289.423 1.872 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1cnc(OC)c(Cl)c1 ZINC000629530893 362160654 /nfs/dbraw/zinc/16/06/54/362160654.db2.gz UNHMEOKRODHKAP-JTQLQIEISA-N 2 0 287.791 1.630 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CNc2nc(N)[nH+]c3c2CCCC3)C1 ZINC000645136663 362148355 /nfs/dbraw/zinc/14/83/55/362148355.db2.gz DWPXQMDWUAJNND-LBPRGKRZSA-N 2 0 289.427 1.334 10 0 CDAERP CCOC(=O)C1([C@H](C)[NH2+][C@H](CO)C2CCC2)CC[NH2+]CC1 ZINC000596652984 343371683 /nfs/dbraw/zinc/37/16/83/343371683.db2.gz XVASMHZGJKABND-GXTWGEPZSA-N 2 0 298.427 1.058 10 0 CDAERP Cc1cc(C)n(CCC[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)n1 ZINC000400413115 365754204 /nfs/dbraw/zinc/75/42/04/365754204.db2.gz UNJZBCUSCQKQKY-UONOGXRCSA-N 2 0 250.390 1.478 10 0 CDAERP O=C(N[C@@H]1CC12CC[NH2+]CC2)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000368648841 295710864 /nfs/dbraw/zinc/71/08/64/295710864.db2.gz XYURECBZJPSAPT-ZOBORPQBSA-N 2 0 277.412 1.165 10 0 CDAERP O=C(NCC1CC[NH2+]CC1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000246235971 343956488 /nfs/dbraw/zinc/95/64/88/343956488.db2.gz FVGKOZKJLXOSSX-RDBSUJKOSA-N 2 0 265.401 1.023 10 0 CDAERP C[C@H](CCNC(=O)C1C[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000263228210 362351522 /nfs/dbraw/zinc/35/15/22/362351522.db2.gz AJQTZHSVBQMVLN-CYBMUJFWSA-N 2 0 275.396 1.233 10 0 CDAERP C[C@H](C[NH2+]C[C@H](O)COCc1ccco1)C[NH+]1CCCC1 ZINC000062071840 344331696 /nfs/dbraw/zinc/33/16/96/344331696.db2.gz JWINMNDLNLMRBH-CABCVRRESA-N 2 0 296.411 1.479 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@H]1CCC[NH2+]C1 ZINC000257654434 344369914 /nfs/dbraw/zinc/36/99/14/344369914.db2.gz CBAGZINCJXZBRL-STQMWFEESA-N 2 0 253.390 1.119 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1CCC[NH2+]C1 ZINC000257654433 344370026 /nfs/dbraw/zinc/37/00/26/344370026.db2.gz CBAGZINCJXZBRL-QWHCGFSZSA-N 2 0 253.390 1.119 10 0 CDAERP CC[N@H+]1[C@H](C)CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]1C ZINC000640614205 362528471 /nfs/dbraw/zinc/52/84/71/362528471.db2.gz OPJJTQFQZUITTO-MJBXVCDLSA-N 2 0 269.433 1.514 10 0 CDAERP C[C@@H]1CN(c2nc(N)[nH+]c3c2CCCC3)C[C@H](C)[N@H+]1C ZINC000645248801 362621206 /nfs/dbraw/zinc/62/12/06/362621206.db2.gz BQAWOAUGWJLFAF-PHIMTYICSA-N 2 0 275.400 1.297 10 0 CDAERP CN1Cc2ccccc2[C@@H]([NH2+]C2CCC(C[NH3+])CC2)C1=O ZINC000623240267 345743643 /nfs/dbraw/zinc/74/36/43/345743643.db2.gz FWYQMXDPTZDDBE-LDZOIKDWSA-N 2 0 287.407 1.807 10 0 CDAERP CC[C@@H](C(=O)N(CC)[C@H]1CC[N@H+](C)C1)[NH+](CC)CC ZINC000617555315 345850769 /nfs/dbraw/zinc/85/07/69/345850769.db2.gz ULSGRIYSWSXIHA-KBPBESRZSA-N 2 0 269.433 1.659 10 0 CDAERP CC(=O)N1CCC(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623406108 346200427 /nfs/dbraw/zinc/20/04/27/346200427.db2.gz KTJDXDCNLHQTAU-HNNXBMFYSA-N 2 0 281.444 1.707 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CCCC[NH+]2CCC[C@@H]2CO)CC1(C)C ZINC000623412551 346253009 /nfs/dbraw/zinc/25/30/09/346253009.db2.gz PTRBTLDUGLYMFI-HZPDHXFCSA-N 3 0 297.487 1.686 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)CC1([NH3+])CCC1 ZINC000164991500 482557462 /nfs/dbraw/zinc/55/74/62/482557462.db2.gz OIYYLFVKBKKYBD-LBPRGKRZSA-N 2 0 253.390 1.249 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000085369466 179039419 /nfs/dbraw/zinc/03/94/19/179039419.db2.gz PSEYKRZEVRUBJH-HUUCEWRRSA-N 2 0 281.444 1.694 10 0 CDAERP COCCOCC[N@@H+]1CCC[NH2+]C2(CCCCC2)C1 ZINC000085610539 179100837 /nfs/dbraw/zinc/10/08/37/179100837.db2.gz IERGVRQVXHEMPD-UHFFFAOYSA-N 2 0 270.417 1.648 10 0 CDAERP C[C@@H]1CC[NH2+]CC[N@@H+]1CCCOCC(F)(F)F ZINC000085622319 179105813 /nfs/dbraw/zinc/10/58/13/179105813.db2.gz VAXGDZNCRXLBNO-SNVBAGLBSA-N 2 0 254.296 1.639 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)C2C[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000263328961 362775455 /nfs/dbraw/zinc/77/54/55/362775455.db2.gz UFYPEVFMFBNGBR-CJNGLKHVSA-N 2 0 287.407 1.375 10 0 CDAERP CN1CCN(C(=O)C[NH2+][C@H]2CC[C@H]2C(C)(C)C)CC1 ZINC000672602897 482579823 /nfs/dbraw/zinc/57/98/23/482579823.db2.gz RWPUGTQVXGPLRE-OLZOCXBDSA-N 2 0 267.417 1.175 10 0 CDAERP c1ccc([C@@H]2CN([C@@H]3CC[N@@H+]4CCC[C@H]34)CC[NH2+]2)cc1 ZINC000086145132 179237635 /nfs/dbraw/zinc/23/76/35/179237635.db2.gz VKSJWZNMRQTYKA-GVDBMIGSSA-N 2 0 271.408 1.870 10 0 CDAERP CC[NH+]1CCC(C[N@@H+]2CCNC[C@H]2C(C)C)CC1 ZINC000086177554 179246638 /nfs/dbraw/zinc/24/66/38/179246638.db2.gz GNOPLMXTOYVSCW-HNNXBMFYSA-N 2 0 253.434 1.648 10 0 CDAERP CC[NH+]1CCC(C[N@@H+]2CC(C)(C)NC[C@H]2C)CC1 ZINC000086259190 179258018 /nfs/dbraw/zinc/25/80/18/179258018.db2.gz YTXBNABWOSJSQL-CYBMUJFWSA-N 2 0 253.434 1.791 10 0 CDAERP C[C@@H](CC[NH+](C)C)N1CC2(CCCC2)[NH2+]C[C@@H]1C ZINC000086255893 179256959 /nfs/dbraw/zinc/25/69/59/179256959.db2.gz MGIDWEJLDDOYLY-KBPBESRZSA-N 2 0 253.434 1.933 10 0 CDAERP O=C(c1ccc2c(c1)C[NH2+]C2)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000336059589 362851069 /nfs/dbraw/zinc/85/10/69/362851069.db2.gz NHTOAJXPTCOQPN-OAHLLOKOSA-N 2 0 271.364 1.256 10 0 CDAERP [NH3+]CC[C@H]([NH3+])c1ccc(I)cc1 ZINC000306858031 362944010 /nfs/dbraw/zinc/94/40/10/362944010.db2.gz BUJQBHHMWURKDL-VIFPVBQESA-N 2 0 276.121 1.640 10 0 CDAERP CCO[C@H]1C[C@@H]([NH2+]CCOCCC[NH3+])C12CCC2 ZINC000629536441 362951293 /nfs/dbraw/zinc/95/12/93/362951293.db2.gz HSODAWSCPPWIIH-OLZOCXBDSA-N 2 0 256.390 1.289 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000629543496 362962084 /nfs/dbraw/zinc/96/20/84/362962084.db2.gz AHPLZKNLMUPBIT-XPABHHOTSA-N 2 0 252.402 1.922 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000629541326 362964793 /nfs/dbraw/zinc/96/47/93/362964793.db2.gz YIDBHXGCNXBDBT-RRFJBIMHSA-N 2 0 270.417 1.537 10 0 CDAERP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)CC[NH2+]1 ZINC000414694873 365967415 /nfs/dbraw/zinc/96/74/15/365967415.db2.gz GIJCHLUCEHXKPT-OUAUKWLOSA-N 2 0 266.307 1.374 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000629546349 362971723 /nfs/dbraw/zinc/97/17/23/362971723.db2.gz OYGUOMYVRDZIII-XPABHHOTSA-N 2 0 252.402 1.922 10 0 CDAERP COc1ccc([C@H](N[C@@H]2CC[NH2+][C@H]2C)[C@H]2CCC[NH2+]2)cc1 ZINC000629548346 362976664 /nfs/dbraw/zinc/97/66/64/362976664.db2.gz ZBGAHOYAOHSGFM-DXEWXGHRSA-N 2 0 289.423 1.828 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621668281 350704160 /nfs/dbraw/zinc/70/41/60/350704160.db2.gz ACVMJMSJHUDECZ-QWHCGFSZSA-N 2 0 255.406 1.256 10 0 CDAERP COc1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cn1 ZINC000621775135 350771387 /nfs/dbraw/zinc/77/13/87/350771387.db2.gz HEWNAPVHHQISIR-UHFFFAOYSA-N 2 0 261.369 1.666 10 0 CDAERP CCn1nccc1CC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000621775609 350772308 /nfs/dbraw/zinc/77/23/08/350772308.db2.gz UIWNJYZBANHUEN-UHFFFAOYSA-N 2 0 262.401 1.521 10 0 CDAERP O[C@@H]1CCN(CC[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)C1 ZINC000623758625 351270631 /nfs/dbraw/zinc/27/06/31/351270631.db2.gz JBOYXJPNPLUMHW-QKPAOTATSA-N 2 0 282.428 1.238 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1cccc(COC)c1 ZINC000629572379 363027217 /nfs/dbraw/zinc/02/72/17/363027217.db2.gz RJDLEYIKYPYKDF-UHFFFAOYSA-N 2 0 266.385 1.501 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)CCCc1ccsc1 ZINC000629572186 363027731 /nfs/dbraw/zinc/02/77/31/363027731.db2.gz OHOOCRFDXWDCKN-UHFFFAOYSA-N 2 0 256.415 1.849 10 0 CDAERP C([C@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CCCC2(CC2)CC1 ZINC000629586370 363054591 /nfs/dbraw/zinc/05/45/91/363054591.db2.gz PZZBAVDZPNJOOS-CYBMUJFWSA-N 2 0 250.386 1.774 10 0 CDAERP C[C@@H](CC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)C1CC[NH2+]CC1 ZINC000334751977 295826752 /nfs/dbraw/zinc/82/67/52/295826752.db2.gz PSRXRMDBBCJHGU-WMLDXEAASA-N 2 0 293.455 1.614 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000487415036 366051981 /nfs/dbraw/zinc/05/19/81/366051981.db2.gz OXTXZLRZNZDYGP-QLFBSQMISA-N 2 0 281.444 1.850 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H]3COCC[C@H]32)CC[NH2+]1 ZINC000414743560 366055790 /nfs/dbraw/zinc/05/57/90/366055790.db2.gz HIJMVROODURQMR-APIJFGDWSA-N 2 0 252.402 1.875 10 0 CDAERP c1nc2n(n1)[C@@H](C[N@H+]1CC[C@H](C[NH+]3CCCC3)C1)CC2 ZINC000639497210 363222898 /nfs/dbraw/zinc/22/28/98/363222898.db2.gz ZXNARMDIUHIXHM-ZIAGYGMSSA-N 2 0 275.400 1.183 10 0 CDAERP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)N[C@@H]1CCCC[NH2+]C1 ZINC000333938765 363241083 /nfs/dbraw/zinc/24/10/83/363241083.db2.gz MTPHZBZZDVXXRS-HZSPNIEDSA-N 2 0 280.416 1.055 10 0 CDAERP CCOc1cccc(C[N@H+](C)CCOCC[NH2+]C)c1 ZINC000629652630 363251831 /nfs/dbraw/zinc/25/18/31/363251831.db2.gz KFZRBRURQSILSK-UHFFFAOYSA-N 2 0 266.385 1.753 10 0 CDAERP COC[C@]1(C)C[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)CCO1 ZINC000629674147 363321174 /nfs/dbraw/zinc/32/11/74/363321174.db2.gz WTVMLSJCZPOSKK-MJBXVCDLSA-N 2 0 256.390 1.112 10 0 CDAERP COCC(C)(C)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000629673282 363341270 /nfs/dbraw/zinc/34/12/70/363341270.db2.gz BMOJCTWMHZULFD-OAHLLOKOSA-N 2 0 284.444 1.750 10 0 CDAERP CCCN(C(=O)NC[C@@H](C)[NH+](CC)CC)[C@@H]1CC[NH2+]C1 ZINC000417010314 283004305 /nfs/dbraw/zinc/00/43/05/283004305.db2.gz PAJOLSDRELUKGD-ZIAGYGMSSA-N 2 0 284.448 1.500 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)CC[N@@H+]1C ZINC000631487567 363353680 /nfs/dbraw/zinc/35/36/80/363353680.db2.gz KLGTYTVLDYVCOE-YIYPIFLZSA-N 2 0 267.417 1.316 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]([NH+](C)C)C2(C)C)CC1 ZINC000636115328 363548577 /nfs/dbraw/zinc/54/85/77/363548577.db2.gz LZKCKVKICAVCGG-RYUDHWBXSA-N 2 0 267.417 1.173 10 0 CDAERP CN(CCOc1ccccc1F)C[C@H]1C[NH2+]CCO1 ZINC000126635504 538537091 /nfs/dbraw/zinc/53/70/91/538537091.db2.gz CLZOYDYDNAXJCH-GFCCVEGCSA-N 2 0 268.332 1.125 10 0 CDAERP CC(C)c1nocc1C(=O)NCCN(C)CCC[NH+](C)C ZINC000628062870 356722767 /nfs/dbraw/zinc/72/27/67/356722767.db2.gz RMZUMVMGMSHXMA-UHFFFAOYSA-N 2 0 296.415 1.411 10 0 CDAERP C[NH+](C)C1CCN(Cc2cccc(F)c2N)CC1 ZINC000156345543 356759011 /nfs/dbraw/zinc/75/90/11/356759011.db2.gz IYGAATURIMFEMW-UHFFFAOYSA-N 2 0 251.349 1.934 10 0 CDAERP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)C[C@](C)(O)C2CC2)CC1 ZINC000634700451 357370836 /nfs/dbraw/zinc/37/08/36/357370836.db2.gz AELVZFWVNKBNMK-IRXDYDNUSA-N 2 0 298.471 1.610 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2C[C@H](C)[NH+](CC)C[C@@H]2C)CC[N@@H+]1C ZINC000632216839 357496883 /nfs/dbraw/zinc/49/68/83/357496883.db2.gz NUKQDYFQVWDNOH-ZQDZILKHSA-N 2 0 281.444 1.658 10 0 CDAERP C[C@H](C[C@@H]1CCC[NH2+]1)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733809 358073163 /nfs/dbraw/zinc/07/31/63/358073163.db2.gz OQYFRPLQLATWHH-HZSPNIEDSA-N 2 0 253.434 1.885 10 0 CDAERP C[C@H](C[C@H]1CCC[NH2+]1)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733810 358073228 /nfs/dbraw/zinc/07/32/28/358073228.db2.gz OQYFRPLQLATWHH-MCIONIFRSA-N 2 0 253.434 1.885 10 0 CDAERP CC(C)[C@@H](C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[C@H](C)[NH3+] ZINC000634742829 358190739 /nfs/dbraw/zinc/19/07/39/358190739.db2.gz ZDJAMTNGZDIUCB-MYZSUADSSA-N 2 0 267.417 1.064 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)C1 ZINC000417242019 283351676 /nfs/dbraw/zinc/35/16/76/283351676.db2.gz SQCMWRZFCHFREB-HIFRSBDPSA-N 2 0 294.443 1.254 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC[NH2+]1 ZINC000634762324 358433870 /nfs/dbraw/zinc/43/38/70/358433870.db2.gz UMKWTMAILVVNLV-RWMBFGLXSA-N 2 0 267.417 1.269 10 0 CDAERP CC[NH2+]Cc1ccccc1NC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000569576430 358640318 /nfs/dbraw/zinc/64/03/18/358640318.db2.gz RLAKCMSPIHDDSV-AAEUAGOBSA-N 2 0 261.369 1.733 10 0 CDAERP O=C(C[C@H]1CCC[NH2+]C1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000062973543 358814545 /nfs/dbraw/zinc/81/45/45/358814545.db2.gz YLXNHCPICPGTPW-HUUCEWRRSA-N 2 0 279.428 1.463 10 0 CDAERP CC(C)[NH+](CCN[C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)C(C)C ZINC000261903333 359083373 /nfs/dbraw/zinc/08/33/73/359083373.db2.gz HXWPMKATNVNAHA-ZACQAIPSSA-N 2 0 297.487 1.852 10 0 CDAERP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000261927590 359092352 /nfs/dbraw/zinc/09/23/52/359092352.db2.gz ZNVZFPPJLAOYAQ-GJZGRUSLSA-N 2 0 293.455 1.886 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NCc1cncc(Br)c1 ZINC000335256364 359125586 /nfs/dbraw/zinc/12/55/86/359125586.db2.gz OSMDHKGKPKEXFB-BXKDBHETSA-N 2 0 284.201 1.932 10 0 CDAERP O[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C[NH2+]C1CC1 ZINC000247854661 359136565 /nfs/dbraw/zinc/13/65/65/359136565.db2.gz JBTXYSPDVSLCFG-HOCLYGCPSA-N 2 0 260.381 1.621 10 0 CDAERP [NH3+]CC(=O)N1CCC[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC000415099232 283418204 /nfs/dbraw/zinc/41/82/04/283418204.db2.gz GLYDTNPYTQPDLW-AWEZNQCLSA-N 2 0 267.417 1.354 10 0 CDAERP Cn1cc(C[C@@H]2CC[N@H+](C[C@]3(C)CC[NH2+]C3)C2)cn1 ZINC000572363921 359150844 /nfs/dbraw/zinc/15/08/44/359150844.db2.gz LRQCMASGRNTZFG-DZGCQCFKSA-N 2 0 262.401 1.284 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H]1CCCC[N@@H+]1CC ZINC000111816651 359644584 /nfs/dbraw/zinc/64/45/84/359644584.db2.gz QQPZUZSOVOOROY-CABCVRRESA-N 2 0 298.475 1.890 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCNc1cccc(C)n1 ZINC000422924519 359678935 /nfs/dbraw/zinc/67/89/35/359678935.db2.gz YVCPAAQFSPDGNO-CYBMUJFWSA-N 2 0 266.389 1.145 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1cccc2c1OCCCO2 ZINC000422986651 359699972 /nfs/dbraw/zinc/69/99/72/359699972.db2.gz DBFMMWUHHVOWCZ-CQSZACIVSA-N 2 0 294.395 1.691 10 0 CDAERP C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@H]1C[NH2+]CCC1(F)F ZINC000423472995 359807563 /nfs/dbraw/zinc/80/75/63/359807563.db2.gz GIJACKPZLNMCJJ-YUTCNCBUSA-N 2 0 283.366 1.532 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)[C@@H](C)O1 ZINC000423504593 359827471 /nfs/dbraw/zinc/82/74/71/359827471.db2.gz FXRRIYUNRLBAMS-KBJXHQRYSA-N 2 0 281.444 1.358 10 0 CDAERP CC(C)[C@H](O)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000336828552 359903189 /nfs/dbraw/zinc/90/31/89/359903189.db2.gz AJPJFJKZKMWXSM-JKSUJKDBSA-N 2 0 283.460 1.105 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000361730196 283508585 /nfs/dbraw/zinc/50/85/85/283508585.db2.gz WWMUKNYZHWOLMU-CQSZACIVSA-N 2 0 267.417 1.463 10 0 CDAERP CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@@H](O)C[NH+]3CCCC3)C[C@H]2C1 ZINC000424269317 359986641 /nfs/dbraw/zinc/98/66/41/359986641.db2.gz PDYOCERXZPTZLK-CWVYHPPDSA-N 2 0 282.428 1.236 10 0 CDAERP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@@H](C)N3CC[NH+](C)CC3)C[C@H]2C1 ZINC000424311899 360002492 /nfs/dbraw/zinc/00/24/92/360002492.db2.gz LIJQBLCEETUICJ-UUAJXVIYSA-N 2 0 295.471 1.416 10 0 CDAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCC(C)(C)C2CC2)CC1 ZINC000515467503 360500867 /nfs/dbraw/zinc/50/08/67/360500867.db2.gz AGGHHIWKMZSXOP-HNNXBMFYSA-N 2 0 283.460 1.011 10 0 CDAERP CC[NH+](CC)CCCNC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000626919024 360633931 /nfs/dbraw/zinc/63/39/31/360633931.db2.gz WLUKIOYGVOXKKQ-STQMWFEESA-N 2 0 270.421 1.158 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)CC2(OC)CCC2)CC1 ZINC000429522027 360847255 /nfs/dbraw/zinc/84/72/55/360847255.db2.gz ODYXGLVCVBPQNA-HZPDHXFCSA-N 2 0 297.487 1.950 10 0 CDAERP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000247043658 361007276 /nfs/dbraw/zinc/00/72/76/361007276.db2.gz SZXGXUGDIWBJDV-MQYQWHSLSA-N 2 0 265.401 1.118 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)NCC(C)(C)[NH3+])cc1 ZINC000418413816 296030186 /nfs/dbraw/zinc/03/01/86/296030186.db2.gz JZKHSXPXAYGCQV-SNVBAGLBSA-N 2 0 264.373 1.243 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@H](C)[C@H](C)[NH3+])C1 ZINC000417907198 361286187 /nfs/dbraw/zinc/28/61/87/361286187.db2.gz DPNUKIOJZPJPDC-BFHYXJOUSA-N 2 0 284.448 1.389 10 0 CDAERP FC(F)n1ccnc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000336564644 363750882 /nfs/dbraw/zinc/75/08/82/363750882.db2.gz IDFVPLNIWCOEGE-UHFFFAOYSA-N 2 0 270.327 1.854 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)[C@H]2CCC[C@H]21 ZINC000566348030 370690236 /nfs/dbraw/zinc/69/02/36/370690236.db2.gz KHCBTMUYQFOTIJ-DRPJVOAASA-N 2 0 291.439 1.460 10 0 CDAERP C[C@H](C[NH3+])CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000417933205 361403308 /nfs/dbraw/zinc/40/33/08/361403308.db2.gz NXBYFAORPFZOFW-PNESKVBLSA-N 2 0 270.421 1.001 10 0 CDAERP C[C@H](O)[C@H](NC[C@@H](O)C[N@H+](C)C1CC1)c1ccccc1F ZINC000520583160 361544783 /nfs/dbraw/zinc/54/47/83/361544783.db2.gz JCRYSBBQZCFVJJ-GHJWDPDVSA-N 2 0 296.386 1.292 10 0 CDAERP CN(C)Cc1cnc(C[NH2+]CCCC[NH+](C)C)s1 ZINC000352770854 363858723 /nfs/dbraw/zinc/85/87/23/363858723.db2.gz LRVIPNMPUQWTAE-UHFFFAOYSA-N 2 0 270.446 1.636 10 0 CDAERP COC1(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CCCC1 ZINC000319381528 364066696 /nfs/dbraw/zinc/06/66/96/364066696.db2.gz JWTRRSQEADJQMQ-OKILXGFUSA-N 2 0 252.402 1.877 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000566408353 370707649 /nfs/dbraw/zinc/70/76/49/370707649.db2.gz XPYLSHQEXJYZHT-QGZVFWFLSA-N 2 0 287.407 1.404 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC000629973412 364307801 /nfs/dbraw/zinc/30/78/01/364307801.db2.gz HISXEIVTCPCIBN-UHFFFAOYSA-N 2 0 281.444 1.707 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)N(C)CCC[NH+](C)C ZINC000186161155 364526918 /nfs/dbraw/zinc/52/69/18/364526918.db2.gz CMUPDDRFYAMQFX-AWEZNQCLSA-N 2 0 284.448 1.454 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@H](O)C[C@@H]1C ZINC000471813300 364993428 /nfs/dbraw/zinc/99/34/28/364993428.db2.gz YLDXKNCCLQUUSH-XHDPSFHLSA-N 2 0 272.352 1.531 10 0 CDAERP CN(C(=O)N[C@@H]1CCC[NH2+]CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000641089437 365019806 /nfs/dbraw/zinc/01/98/06/365019806.db2.gz BFEORFDVTAIGJN-TZMCWYRMSA-N 2 0 280.416 1.007 10 0 CDAERP CN(C)c1cc[nH+]cc1C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000353457370 365221545 /nfs/dbraw/zinc/22/15/45/365221545.db2.gz GNFNABVWAYDHGQ-UHFFFAOYSA-N 2 0 290.411 1.561 10 0 CDAERP Cc1ccc(O)c(C[NH+]2CCC(OCC[NH+](C)C)CC2)n1 ZINC000353525537 365275427 /nfs/dbraw/zinc/27/54/27/365275427.db2.gz GWOKYKLDJCCRMX-UHFFFAOYSA-N 2 0 293.411 1.638 10 0 CDAERP CN(C)c1nccc(C[NH2+]C2CCC([NH+](C)C)CC2)n1 ZINC000353610920 365332705 /nfs/dbraw/zinc/33/27/05/365332705.db2.gz BLXIBLWIZRMWBC-UHFFFAOYSA-N 2 0 277.416 1.505 10 0 CDAERP COCCN1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000353527582 365278432 /nfs/dbraw/zinc/27/84/32/365278432.db2.gz DGWZCBQFSAQDCA-CAOSSQGBSA-N 2 0 281.444 1.170 10 0 CDAERP C[C@H](CCCC[NH3+])NC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000516569207 366873225 /nfs/dbraw/zinc/87/32/25/366873225.db2.gz BIKXVATTYWDUEB-BRXULGCHSA-N 2 0 297.443 1.153 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC[C@H]1CCC[NH2+]C1 ZINC000251738041 366875207 /nfs/dbraw/zinc/87/52/07/366875207.db2.gz KRLUOTWEWCJPPV-RBSFLKMASA-N 2 0 279.428 1.461 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)C2CCOCC2)[C@H]2CCC[C@@H]21 ZINC000353633025 365344304 /nfs/dbraw/zinc/34/43/04/365344304.db2.gz RMRQSPCHFPHIQX-UGUYLWEFSA-N 2 0 282.428 1.236 10 0 CDAERP C[C@H]([NH3+])CNC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000641427321 365423123 /nfs/dbraw/zinc/42/31/23/365423123.db2.gz YATYEWOYUFMUQS-ZDUSSCGKSA-N 2 0 298.475 1.876 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C[NH2+]1 ZINC000626979961 367124595 /nfs/dbraw/zinc/12/45/95/367124595.db2.gz NKJIHHYWENAFHO-MCIONIFRSA-N 2 0 298.475 1.793 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000626982365 367130755 /nfs/dbraw/zinc/13/07/55/367130755.db2.gz FKBYNJJMGJEBKX-BFHYXJOUSA-N 2 0 282.432 1.301 10 0 CDAERP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000415026754 241521786 /nfs/dbraw/zinc/52/17/86/241521786.db2.gz VEFQDNWGHOACRK-GFCCVEGCSA-N 2 0 259.357 1.484 10 0 CDAERP C[NH2+]C[C@H](C)C[NH2+]Cc1cc(OC)c2c(c1)OCCO2 ZINC000414842639 367211773 /nfs/dbraw/zinc/21/17/73/367211773.db2.gz PGGRJNVDSWPUBU-NSHDSACASA-N 2 0 280.368 1.412 10 0 CDAERP CC1CC[NH+](CC(=O)NC[C@H]([NH2+]CCCF)C2CC2)CC1 ZINC001661177988 1172347785 /nfs/dbraw/zinc/34/77/85/1172347785.db2.gz QRIBCMXJBOJFNI-HNNXBMFYSA-N 2 0 299.434 1.562 10 0 CDAERP C[C@H](CCCC[NH3+])NC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627093969 367428263 /nfs/dbraw/zinc/42/82/63/367428263.db2.gz VYLZQQINIKAQQP-VXGBXAGGSA-N 2 0 268.405 1.088 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[NH2+]C1CCCCCC1 ZINC000627079119 367376889 /nfs/dbraw/zinc/37/68/89/367376889.db2.gz GIDJFVOBVNNHFK-GXTWGEPZSA-N 2 0 282.432 1.348 10 0 CDAERP CC(C)[NH+](CCNC(=O)N[C@H](C)[C@@H](C)[NH3+])C(C)C ZINC000416798218 242143568 /nfs/dbraw/zinc/14/35/68/242143568.db2.gz BRUJYRSYOWHLTJ-VXGBXAGGSA-N 2 0 258.410 1.140 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000627158766 367587168 /nfs/dbraw/zinc/58/71/68/367587168.db2.gz DFTTTWBBILCPLV-MELADBBJSA-N 2 0 282.432 1.251 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CCC[C@H]2[NH3+])[C@@H](C)C1 ZINC000261839233 482934544 /nfs/dbraw/zinc/93/45/44/482934544.db2.gz UWCZXPIJXIGYTH-XQLPTFJDSA-N 2 0 281.444 1.693 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)NC(C)(C)C[NH+]2CCCC2)C[NH2+]1 ZINC000627206848 367703930 /nfs/dbraw/zinc/70/39/30/367703930.db2.gz MRIDMNZNAUBHLS-OLZOCXBDSA-N 2 0 282.432 1.301 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)C[NH2+]1 ZINC000627198822 367689428 /nfs/dbraw/zinc/68/94/28/367689428.db2.gz YDALIDNJCNCSFZ-MCIONIFRSA-N 2 0 280.416 1.007 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C[NH2+]1 ZINC000627199970 367690400 /nfs/dbraw/zinc/69/04/00/367690400.db2.gz HHASPSGHJVMVNN-KFWWJZLASA-N 2 0 294.443 1.254 10 0 CDAERP C[C@H]1CC[C@@H](NC(=O)N(CC[NH+](C)C)C2CCCC2)C[NH2+]1 ZINC000627202608 367697568 /nfs/dbraw/zinc/69/75/68/367697568.db2.gz RVYKVRYFDGHEDO-UONOGXRCSA-N 2 0 296.459 1.643 10 0 CDAERP [NH3+][C@@H]1CC=C(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000638051814 367814839 /nfs/dbraw/zinc/81/48/39/367814839.db2.gz RZFHOMXALDYKRX-CVEARBPZSA-N 2 0 285.391 1.425 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000417706902 242598356 /nfs/dbraw/zinc/59/83/56/242598356.db2.gz UOMKVAHDDHHNHB-ZNMIVQPWSA-N 2 0 296.459 1.548 10 0 CDAERP [NH3+]C1(CNC(=O)NC[C@@H]2CCC[NH2+]2)CCCCCC1 ZINC000418280231 242887745 /nfs/dbraw/zinc/88/77/45/242887745.db2.gz AHYFZTHAMIFPQB-LBPRGKRZSA-N 2 0 268.405 1.089 10 0 CDAERP C[C@@H](C[NH3+])N(C)C(=O)NCC1([NH3+])CCCCCC1 ZINC000418284490 242894817 /nfs/dbraw/zinc/89/48/17/242894817.db2.gz MWPLYXGMTBXNMZ-NSHDSACASA-N 2 0 256.394 1.027 10 0 CDAERP [NH3+]CC[C@@H]1CCCN(C(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000418287617 242898087 /nfs/dbraw/zinc/89/80/87/242898087.db2.gz UMUMAPHKJMHFIL-AWEZNQCLSA-N 2 0 296.459 1.809 10 0 CDAERP CC(C)(C)CC[NH+]1CCN(C(=O)NCCC[NH3+])CC1 ZINC000418308253 242923582 /nfs/dbraw/zinc/92/35/82/242923582.db2.gz FXYAOMIKEJIXMU-UHFFFAOYSA-N 2 0 270.421 1.099 10 0 CDAERP CC(C)N(CC[NH+](C)C)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418420933 243055780 /nfs/dbraw/zinc/05/57/80/243055780.db2.gz BPPQRMPIBJGIKC-OAHLLOKOSA-N 2 0 292.427 1.668 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H]([NH3+])CCC(C)C ZINC000638108659 368418443 /nfs/dbraw/zinc/41/84/43/368418443.db2.gz NIYBFIUYKNREFB-UONOGXRCSA-N 2 0 269.433 1.693 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000418585691 243240956 /nfs/dbraw/zinc/24/09/56/243240956.db2.gz DTIHZSRXTZWPSL-HZSPNIEDSA-N 2 0 282.432 1.110 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)C1 ZINC000567289503 370944916 /nfs/dbraw/zinc/94/49/16/370944916.db2.gz MDNJNTFQLMXIPD-KFWWJZLASA-N 2 0 279.428 1.413 10 0 CDAERP C[C@@H]1CC[N@H+](CCNC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC000543712537 368954509 /nfs/dbraw/zinc/95/45/09/368954509.db2.gz AZPBZYCJTXJPID-CQSZACIVSA-N 2 0 290.411 1.366 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000361713626 368997697 /nfs/dbraw/zinc/99/76/97/368997697.db2.gz ZIXPZWIFOIAVQK-HRCADAONSA-N 2 0 293.455 1.804 10 0 CDAERP CC(C)CC[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000638275760 369083340 /nfs/dbraw/zinc/08/33/40/369083340.db2.gz OPMRHTGPSWRCAE-OLZOCXBDSA-N 2 0 255.406 1.303 10 0 CDAERP COc1ccc([C@@H](C[NH3+])C[N@H+](C)C[C@@H]2CCCO2)cc1 ZINC000420323412 244083799 /nfs/dbraw/zinc/08/37/99/244083799.db2.gz UEGCIFNGUYCVFE-HOCLYGCPSA-N 2 0 278.396 1.848 10 0 CDAERP CC(C)n1ncnc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000088590967 482959210 /nfs/dbraw/zinc/95/92/10/482959210.db2.gz OOULVLAYFINPLE-UHFFFAOYSA-N 2 0 251.378 1.290 10 0 CDAERP C[NH+]1CCC(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000367591020 369193703 /nfs/dbraw/zinc/19/37/03/369193703.db2.gz XPHCEIKEJWKQPA-OAGGEKHMSA-N 3 0 265.445 1.791 10 0 CDAERP [NH3+][C@@H](Cc1cn(C[C@H]2CCC[NH2+]2)nn1)Cc1ccccc1 ZINC000630605493 369387224 /nfs/dbraw/zinc/38/72/24/369387224.db2.gz JRRCTEMRIOZEOJ-HUUCEWRRSA-N 2 0 285.395 1.143 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C(N)=O)cc2)[C@@H]2CCC[C@@H]21 ZINC000375782680 370969079 /nfs/dbraw/zinc/96/90/79/370969079.db2.gz MXXLYGNPHLJTNX-JYJNAYRXSA-N 2 0 287.407 1.748 10 0 CDAERP C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000565479293 370455411 /nfs/dbraw/zinc/45/54/11/370455411.db2.gz TXSRNQRNOGGIIV-KGLIPLIRSA-N 2 0 296.459 1.630 10 0 CDAERP [NH3+]C[C@@H](NC(=O)NCC1([NH3+])CCCCCC1)C1CCCC1 ZINC000418284217 370468571 /nfs/dbraw/zinc/46/85/71/370468571.db2.gz MIBUPZALUWISCB-CQSZACIVSA-N 2 0 296.459 1.855 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCCCC[NH2+]2)CC[N@@H+]1C ZINC000372497677 370497558 /nfs/dbraw/zinc/49/75/58/370497558.db2.gz REUTYZQRFIRBND-MGPQQGTHSA-N 2 0 267.417 1.460 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C)C[C@@H]1C ZINC000414934556 370575268 /nfs/dbraw/zinc/57/52/68/370575268.db2.gz FERBCBITHWXTOM-BTFPBAQTSA-N 2 0 282.428 1.942 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCc1c(F)cccc1F ZINC000422698151 245156530 /nfs/dbraw/zinc/15/65/30/245156530.db2.gz XRUMAELQSGSHRO-NSHDSACASA-N 2 0 272.339 1.851 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000123098888 371247899 /nfs/dbraw/zinc/24/78/99/371247899.db2.gz YEURZHDJFZPSNB-ZNMIVQPWSA-N 2 0 298.475 1.745 10 0 CDAERP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H](C)[C@H](C)[NH3+])CC2 ZINC000572944598 371353034 /nfs/dbraw/zinc/35/30/34/371353034.db2.gz QHMAKJFICWYIBI-DGAVXFQQSA-N 2 0 282.432 1.379 10 0 CDAERP CC[C@H](Cn1cncn1)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000340507914 371355207 /nfs/dbraw/zinc/35/52/07/371355207.db2.gz HBLRPWKGZINSRY-CQSZACIVSA-N 2 0 279.432 1.768 10 0 CDAERP CCC[C@H](C(=O)N1CC[C@H](C[N@H+](C)CCC)C1)[NH+](C)C ZINC000123225813 371335752 /nfs/dbraw/zinc/33/57/52/371335752.db2.gz DOPRPDYLPPXQFI-HUUCEWRRSA-N 2 0 283.460 1.907 10 0 CDAERP COc1nccnc1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000296052299 371580508 /nfs/dbraw/zinc/58/05/08/371580508.db2.gz OUDKXMGMZKKHJW-CQSZACIVSA-N 2 0 290.411 1.649 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)[C@@H]2CCOC2)[C@@H]2CCC[C@@H]21 ZINC000353589179 371989521 /nfs/dbraw/zinc/98/95/21/371989521.db2.gz PIKNKRANYHXOJA-OWYFMNJBSA-N 2 0 282.428 1.094 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000171891561 372207713 /nfs/dbraw/zinc/20/77/13/372207713.db2.gz SXEZTTNWZJRLAV-LSDHHAIUSA-N 2 0 294.443 1.208 10 0 CDAERP CC[NH+]1CCN([C@H]2CC[N@H+](C[Si](C)(C)C)C2)CC1 ZINC000172192717 372250861 /nfs/dbraw/zinc/25/08/61/372250861.db2.gz LNLGGVZQMDGZKE-AWEZNQCLSA-N 2 0 269.509 1.576 10 0 CDAERP COC(=O)[C@H]1CCC[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414695448 284331334 /nfs/dbraw/zinc/33/13/34/284331334.db2.gz URUBXGBCPLBGDE-XQQFMLRXSA-N 2 0 254.374 1.260 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000333167406 205086451 /nfs/dbraw/zinc/08/64/51/205086451.db2.gz HOZKNHABSTXPPM-LSDHHAIUSA-N 2 0 296.459 1.406 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCCc1cccc(C)n1 ZINC000423104325 245572345 /nfs/dbraw/zinc/57/23/45/245572345.db2.gz LVTNWOXWMUNGLL-HNNXBMFYSA-N 2 0 265.401 1.666 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000581369227 372978052 /nfs/dbraw/zinc/97/80/52/372978052.db2.gz LVPSOPROJCDPCA-FZMZJTMJSA-N 2 0 272.352 1.843 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC000341039650 373234515 /nfs/dbraw/zinc/23/45/15/373234515.db2.gz AJRCWZSHSNHSRK-CQSZACIVSA-N 2 0 298.475 1.748 10 0 CDAERP Cc1cc(N2CC[NH+](CCC(C)(C)C)CC2)nc(N)[nH+]1 ZINC000054838761 373507054 /nfs/dbraw/zinc/50/70/54/373507054.db2.gz ZHIOXJGXQQEJPE-UHFFFAOYSA-N 2 0 277.416 1.925 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000192670371 373626238 /nfs/dbraw/zinc/62/62/38/373626238.db2.gz JBFKKGYUCPNATI-MGNMYUMUSA-N 3 0 294.487 1.227 10 0 CDAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](O)C(F)F ZINC000235468204 373675259 /nfs/dbraw/zinc/67/52/59/373675259.db2.gz DSDMJHSDFHNYGM-OUAUKWLOSA-N 2 0 250.333 1.513 10 0 CDAERP CCC1([NH+]2CCCC2)CCN(C[C@](C)(O)C[NH2+]C)CC1 ZINC000631837233 373751595 /nfs/dbraw/zinc/75/15/95/373751595.db2.gz PNGORSOTVBNQQG-OAHLLOKOSA-N 2 0 283.460 1.297 10 0 CDAERP O=C(NC1CC[NH+](CC2CC2)CC1)N[C@@H]1CCCC[NH2+]C1 ZINC000333941632 205853577 /nfs/dbraw/zinc/85/35/77/205853577.db2.gz PEFNSSZRGZJZQA-OAHLLOKOSA-N 2 0 294.443 1.302 10 0 CDAERP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000660145172 412818221 /nfs/dbraw/zinc/81/82/21/412818221.db2.gz MOZLAPMWYOGBAG-ZACQAIPSSA-N 2 0 279.472 1.992 10 0 CDAERP C[NH+]1CCC(NCc2ccnn2CC2CCC2)CC1 ZINC000631035553 374612019 /nfs/dbraw/zinc/61/20/19/374612019.db2.gz LWNKMUQMZHJLGV-UHFFFAOYSA-N 2 0 262.401 1.867 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)C)CC1 ZINC000342957964 374792292 /nfs/dbraw/zinc/79/22/92/374792292.db2.gz FUFUPLNPWVKKCO-AWEZNQCLSA-N 2 0 267.417 1.413 10 0 CDAERP CN(C)c1nccc(N2CC[NH+](CCCF)CC2)n1 ZINC000133258727 375554658 /nfs/dbraw/zinc/55/46/58/375554658.db2.gz JDLZBBGXSFSDAD-UHFFFAOYSA-N 2 0 267.352 1.024 10 0 CDAERP CC[NH+](CC)CCCNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000416820699 375685171 /nfs/dbraw/zinc/68/51/71/375685171.db2.gz SQBKCOUEQLKZMQ-CHWSQXEVSA-N 2 0 270.421 1.016 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000631453786 376267363 /nfs/dbraw/zinc/26/73/63/376267363.db2.gz PETZXCFHSHAVJG-HRCADAONSA-N 2 0 293.455 1.661 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(CC(F)F)C2)[C@@H]2CCC[C@@H]21 ZINC000417389675 376315466 /nfs/dbraw/zinc/31/54/66/376315466.db2.gz PWQMMDZWXOVWLV-RFGFWPKPSA-N 2 0 287.398 1.788 10 0 CDAERP CCOC(=O)CC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420392087 376346679 /nfs/dbraw/zinc/34/66/79/376346679.db2.gz IYCSHBUJRGLRMB-OLZOCXBDSA-N 2 0 254.374 1.404 10 0 CDAERP C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2F)C[C@@H]1C[NH3+] ZINC000631840829 376694552 /nfs/dbraw/zinc/69/45/52/376694552.db2.gz FTLBXIQJUGQPBO-RYUDHWBXSA-N 2 0 279.359 1.681 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3[C@H](CCC[NH+]3C)C2)CC[N@@H+]1C ZINC000631881927 376771082 /nfs/dbraw/zinc/77/10/82/376771082.db2.gz MBGNLCRCABREJU-QXSJWSMHSA-N 2 0 293.455 1.659 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000358852333 284672926 /nfs/dbraw/zinc/67/29/26/284672926.db2.gz GOYABASWFZJOHQ-DOMZBBRYSA-N 2 0 295.402 1.715 10 0 CDAERP [NH3+][C@H]1CCCN(C(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000334934088 377699498 /nfs/dbraw/zinc/69/94/98/377699498.db2.gz GWMYUOAUGPWVCQ-LBPRGKRZSA-N 2 0 268.405 1.171 10 0 CDAERP C[C@H]1CC[NH2+][C@@H](C(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000335029917 377778508 /nfs/dbraw/zinc/77/85/08/377778508.db2.gz LBSIACMTUFNUJV-VXGQWTEUSA-N 2 0 279.428 1.508 10 0 CDAERP CCC[C@H](C(=O)N1CCC([NH+](C)C)CC1)[NH+](C)C ZINC000162068336 377865693 /nfs/dbraw/zinc/86/56/93/377865693.db2.gz PMGWACKUOBCKOX-CYBMUJFWSA-N 2 0 255.406 1.269 10 0 CDAERP O=C(c1ccc2c[nH+]cn2c1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000632863790 377941233 /nfs/dbraw/zinc/94/12/33/377941233.db2.gz JRESHQOBUOPNOU-WFASDCNBSA-N 2 0 284.363 1.548 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)CC[C@@H](C)[NH3+])C1 ZINC000193314894 378273744 /nfs/dbraw/zinc/27/37/44/378273744.db2.gz OGNZIBBQKODXNW-CHWSQXEVSA-N 2 0 255.406 1.208 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CCC[C@]3(CC[NH+](C)C3)C2)CC[N@@H+]1C ZINC000633254835 378258496 /nfs/dbraw/zinc/25/84/96/378258496.db2.gz YBRUFOISPOAMNR-ZMSDIMECSA-N 2 0 293.455 1.661 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CC1CCCCC1 ZINC001662324723 1172529550 /nfs/dbraw/zinc/52/95/50/1172529550.db2.gz MENXIJXCCFPKQF-CYBMUJFWSA-N 2 0 269.433 1.613 10 0 CDAERP [NH3+][C@H]1CCC[C@H]1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000085369810 295338804 /nfs/dbraw/zinc/33/88/04/295338804.db2.gz BCLBQPKFNTZDML-KGLIPLIRSA-N 2 0 265.401 1.201 10 0 CDAERP COC1(C[C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)CCC1 ZINC000429515094 284732688 /nfs/dbraw/zinc/73/26/88/284732688.db2.gz ATLRNIYLZUCNLP-ZIAGYGMSSA-N 2 0 270.417 1.380 10 0 CDAERP [NH3+]C1(CNC(=O)NC[C@@H]2CCCC[NH2+]2)CCCCCC1 ZINC000634047437 378986841 /nfs/dbraw/zinc/98/68/41/378986841.db2.gz DXPMGOSWCCOARH-ZDUSSCGKSA-N 2 0 282.432 1.479 10 0 CDAERP C[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)C[C@](C)(C(F)F)O1 ZINC000662334929 412903433 /nfs/dbraw/zinc/90/34/33/412903433.db2.gz DMOSGSSBJRBXJN-NTZNESFSSA-N 2 0 262.344 1.731 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C[C@@H]1CCSC1 ZINC000657572844 412905240 /nfs/dbraw/zinc/90/52/40/412905240.db2.gz HYRAWHCTEGXTMS-KBPBESRZSA-N 2 0 273.490 1.601 10 0 CDAERP CC(C)[C@H]1CN(C(=O)[C@@H]2CC23CC[NH2+]CC3)CC[N@@H+]1C ZINC000634301057 379359419 /nfs/dbraw/zinc/35/94/19/379359419.db2.gz VOWNQYPMZQLLBB-UONOGXRCSA-N 2 0 279.428 1.175 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)COC1CCC([NH3+])CC1 ZINC000449104919 250691000 /nfs/dbraw/zinc/69/10/00/250691000.db2.gz GWJSKSMQUSRGKK-HSBZDZAISA-N 2 0 285.432 1.119 10 0 CDAERP Cc1cc(CO)cc(N2CCN(c3cnccc3C)CC2)n1 ZINC000663872176 412926894 /nfs/dbraw/zinc/92/68/94/412926894.db2.gz KFTRMIJDTKMYOQ-UHFFFAOYSA-N 2 0 298.390 1.912 10 0 CDAERP C[N@H+](CCCc1c(F)cccc1F)C[C@H](O)C[NH3+] ZINC000655941109 412952959 /nfs/dbraw/zinc/95/29/59/412952959.db2.gz MIQNQVUZWCROFF-SNVBAGLBSA-N 2 0 258.312 1.149 10 0 CDAERP O=C1CC[C@@H](C[NH+]2CCC(C[NH+]3CCCC3)CC2)CCN1 ZINC000450259819 296324305 /nfs/dbraw/zinc/32/43/05/296324305.db2.gz ACHUTDSINILXOH-OAHLLOKOSA-N 2 0 293.455 1.711 10 0 CDAERP C[C@H](NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1CCC[NH2+]C1 ZINC000655961870 412966464 /nfs/dbraw/zinc/96/64/64/412966464.db2.gz AZHDAJIYDKZFEH-IGQOVBAYSA-N 2 0 282.432 1.014 10 0 CDAERP CC[NH2+]CC1CCN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000655971113 412982854 /nfs/dbraw/zinc/98/28/54/412982854.db2.gz SMIHNWGVXKCBRV-GASCZTMLSA-N 2 0 296.459 1.358 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655976012 412987956 /nfs/dbraw/zinc/98/79/56/412987956.db2.gz XTNXIMCTJMCEJQ-FQUUOJAGSA-N 2 0 280.416 1.134 10 0 CDAERP CC(C)([NH3+])CCC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000648132401 390161868 /nfs/dbraw/zinc/16/18/68/390161868.db2.gz LJIJIQFOKFHBGC-UHFFFAOYSA-N 2 0 277.412 1.534 10 0 CDAERP [NH3+]C[C@@H](C(=O)N[C@@H]1CCC[NH2+]CC1)c1ccc(F)cc1 ZINC000646988299 390339090 /nfs/dbraw/zinc/33/90/90/390339090.db2.gz LVXHDSWBPNJRIP-ZIAGYGMSSA-N 2 0 279.359 1.126 10 0 CDAERP CC[C@@H]1CN(C(=O)c2ccc(C[NH3+])cc2)CC[C@H]1[NH3+] ZINC000647015592 390355246 /nfs/dbraw/zinc/35/52/46/390355246.db2.gz VFJYVFDVAWQWRB-TZMCWYRMSA-N 2 0 261.369 1.345 10 0 CDAERP COc1cccc([C@H](C)[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000261605698 390661564 /nfs/dbraw/zinc/66/15/64/390661564.db2.gz CVERCHNCYHYRFO-HOCLYGCPSA-N 2 0 289.423 1.736 10 0 CDAERP C[C@H]1C[N@H+](C)C[C@@H]1NC[C@@H]1C[NH+](C)C[C@H]1c1ccccc1 ZINC000647248808 390656933 /nfs/dbraw/zinc/65/69/33/390656933.db2.gz HKCSATSHRWBVDP-RANZSIQMSA-N 2 0 287.451 1.872 10 0 CDAERP COC[C@@H](C)[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647249191 390657816 /nfs/dbraw/zinc/65/78/16/390657816.db2.gz IBQXJSLNZJPGBG-BMFZPTHFSA-N 2 0 262.397 1.956 10 0 CDAERP CCC[NH2+][C@H](C)C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648209877 390952562 /nfs/dbraw/zinc/95/25/62/390952562.db2.gz DRXULGKUVMPZRQ-NEPJUHHUSA-N 2 0 253.390 1.165 10 0 CDAERP CCCC[C@@H](C[NH3+])NC(=O)NCCC1CC[NH+](CC)CC1 ZINC000417748983 391018770 /nfs/dbraw/zinc/01/87/70/391018770.db2.gz LCXPZVKBOWTFBJ-HNNXBMFYSA-N 2 0 298.475 1.925 10 0 CDAERP CSCCC[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000173682271 390974117 /nfs/dbraw/zinc/97/41/17/390974117.db2.gz VOHHQWOEIGICQY-ZDUSSCGKSA-N 2 0 274.474 1.764 10 0 CDAERP C[C@]1(CN2CCC[N@H+](C[C@H]3CCCO3)CC2)CC[NH2+]C1 ZINC000647513978 390980479 /nfs/dbraw/zinc/98/04/79/390980479.db2.gz ZQYNXSDTAMSYKB-CVEARBPZSA-N 2 0 281.444 1.173 10 0 CDAERP C[C@H]1C[NH2+]C[C@@H](N(CCC[NH3+])c2cccc(F)c2)C1 ZINC000647548441 390990898 /nfs/dbraw/zinc/99/08/98/390990898.db2.gz AWNUQIIPIFFWOI-DOMZBBRYSA-N 2 0 265.376 1.979 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CCC[C@H]2C[C@]21C)N1CC[NH+](C)CC1 ZINC000337388157 391143230 /nfs/dbraw/zinc/14/32/30/391143230.db2.gz MEXLWIYNKKDZRM-QKPAOTATSA-N 2 0 265.445 1.791 10 0 CDAERP CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125258764 391250129 /nfs/dbraw/zinc/25/01/29/391250129.db2.gz PSDHSUJFZIWVFV-XQQFMLRXSA-N 2 0 267.417 1.350 10 0 CDAERP CC1=CC[N@H+](CCNC(=O)N[C@@H](C)CCC[NH3+])CC1 ZINC000418006775 391282178 /nfs/dbraw/zinc/28/21/78/391282178.db2.gz CFCRIWHKPRCCNM-ZDUSSCGKSA-N 2 0 268.405 1.065 10 0 CDAERP Cc1cnn(CC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647977770 391375503 /nfs/dbraw/zinc/37/55/03/391375503.db2.gz HLWFOJRSSLALIS-HOTGVXAUSA-N 2 0 276.428 1.903 10 0 CDAERP CN(C(=O)CC[C@H]1CCCC[NH+]1C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000354965899 391437986 /nfs/dbraw/zinc/43/79/86/391437986.db2.gz UFXJOOCUJVHIPD-GDBMZVCRSA-N 2 0 293.455 1.946 10 0 CDAERP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)NCC1([NH3+])CCC1 ZINC000335484411 391438961 /nfs/dbraw/zinc/43/89/61/391438961.db2.gz BHUJGAVBIRIILB-CQSZACIVSA-N 2 0 288.395 1.136 10 0 CDAERP CCn1nncc1CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000527913036 391529564 /nfs/dbraw/zinc/52/95/64/391529564.db2.gz HBSPYOBIXKTDMK-MJBXVCDLSA-N 2 0 263.389 1.260 10 0 CDAERP CN(C(=O)NCCC[C@@H]1CCC[NH2+]1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000418752538 391536669 /nfs/dbraw/zinc/53/66/69/391536669.db2.gz TYNJQNCCUARDSH-DZGCQCFKSA-N 2 0 294.443 1.397 10 0 CDAERP C[C@@H]1CCN(C(=O)[C@@](C)([NH3+])c2ccccc2)C[C@@H]1C[NH3+] ZINC000417831605 391500561 /nfs/dbraw/zinc/50/05/61/391500561.db2.gz HWDKFHQDGAXDFT-WWGRRREGSA-N 2 0 275.396 1.304 10 0 CDAERP CO[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647796457 391646130 /nfs/dbraw/zinc/64/61/30/391646130.db2.gz ACBFIIXZBZFIJI-SEBNEYGDSA-N 2 0 252.402 1.922 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-n3cncn3)cc2)C1 ZINC000414933004 391654078 /nfs/dbraw/zinc/65/40/78/391654078.db2.gz WHWSKHNEWIPYRD-ZIAGYGMSSA-N 2 0 271.368 1.627 10 0 CDAERP CN1CC[C@H](C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)CC1=O ZINC000424378403 391673575 /nfs/dbraw/zinc/67/35/75/391673575.db2.gz NSIDJRNJTKFYOT-CQDKDKBSSA-N 2 0 273.380 1.589 10 0 CDAERP COc1cc(C)c(CNCCC[NH2+]C2CC2)c(C)n1 ZINC000415064172 391741545 /nfs/dbraw/zinc/74/15/45/391741545.db2.gz BUUFMEOKTRUPEU-UHFFFAOYSA-N 2 0 263.385 1.939 10 0 CDAERP C[C@H](C[NH3+])CNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000417658184 391723723 /nfs/dbraw/zinc/72/37/23/391723723.db2.gz IQLUDXYQIBYUKS-LLVKDONJSA-N 2 0 296.390 1.281 10 0 CDAERP C[C@H](CC(=O)NCCc1ccccc1)[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000415016302 391724003 /nfs/dbraw/zinc/72/40/03/391724003.db2.gz NUXSYLYZPPQUBP-HZSPNIEDSA-N 2 0 277.412 1.449 10 0 CDAERP COc1cccc(NC(=O)C[C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])c1 ZINC000415022672 391727746 /nfs/dbraw/zinc/72/77/46/391727746.db2.gz VXMRNWBIXLIQLK-QJPTWQEYSA-N 2 0 279.384 1.738 10 0 CDAERP O=C(C[C@@H]1CSCC[NH2+]1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371245143 391775157 /nfs/dbraw/zinc/77/51/57/391775157.db2.gz SUKVFMZNCYXYBN-MCIONIFRSA-N 2 0 297.468 1.072 10 0 CDAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000649298969 391934681 /nfs/dbraw/zinc/93/46/81/391934681.db2.gz OQBGVLPPJDXDIP-IHRRRGAJSA-N 2 0 267.417 1.162 10 0 CDAERP CC(C)NC(=O)CC[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366868425 391915114 /nfs/dbraw/zinc/91/51/14/391915114.db2.gz XVBLUMKCCKKLQV-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)[NH+](CCCNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)C(C)C ZINC000417796317 391939545 /nfs/dbraw/zinc/93/95/45/391939545.db2.gz OASPYNXTFJPVIM-HUUCEWRRSA-N 2 0 298.475 1.793 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)CN1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000647965582 391928689 /nfs/dbraw/zinc/92/86/89/391928689.db2.gz BFZFSDUPNVHHMD-IKGGRYGDSA-N 2 0 297.487 1.635 10 0 CDAERP CC[C@@H](Cn1cncn1)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000438832863 391969637 /nfs/dbraw/zinc/96/96/37/391969637.db2.gz VVTOFCMORIVALU-ZDUSSCGKSA-N 2 0 265.405 1.519 10 0 CDAERP C([NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1)[C@@H]1CCCOC1 ZINC000262033307 392032178 /nfs/dbraw/zinc/03/21/78/392032178.db2.gz XTHYHLXANAFHFR-YJNKXOJESA-N 2 0 268.401 1.160 10 0 CDAERP O=C1NCC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000431333777 392184699 /nfs/dbraw/zinc/18/46/99/392184699.db2.gz SNYCTZCVGFYNBJ-INIZCTEOSA-N 2 0 287.407 1.651 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000251881260 392243007 /nfs/dbraw/zinc/24/30/07/392243007.db2.gz UVALEXAIPAHJKL-ZOBORPQBSA-N 2 0 265.401 1.199 10 0 CDAERP COC(=O)C1(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000448524292 392212598 /nfs/dbraw/zinc/21/25/98/392212598.db2.gz GNYRKNIGXNNWCG-CYBMUJFWSA-N 2 0 266.385 1.357 10 0 CDAERP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CCC1CC[NH2+]CC1 ZINC000251925986 392244421 /nfs/dbraw/zinc/24/44/21/392244421.db2.gz YIPMYQBGFDSOON-HOCLYGCPSA-N 2 0 293.455 1.851 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@H](CO)Cc1ccc(C)cc1 ZINC000423063052 392310966 /nfs/dbraw/zinc/31/09/66/392310966.db2.gz VKCVQXWFLSMJKM-CVEARBPZSA-N 2 0 280.412 1.242 10 0 CDAERP COCC[N@@H+]1CCC[C@@H]1CN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000422712778 392252084 /nfs/dbraw/zinc/25/20/84/392252084.db2.gz ORMPNXUSPRSVFI-GVDBMIGSSA-N 2 0 297.487 1.998 10 0 CDAERP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2CCCOC2)CC[NH2+]CC1 ZINC000422864037 392268101 /nfs/dbraw/zinc/26/81/01/392268101.db2.gz SZQFSGUTJHMWPS-OLZOCXBDSA-N 2 0 284.400 1.076 10 0 CDAERP CC1=CCN(CC[NH2+][C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000423030680 392286947 /nfs/dbraw/zinc/28/69/47/392286947.db2.gz CGNPNLXLRHEAKL-GJZGRUSLSA-N 2 0 251.418 1.746 10 0 CDAERP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CC2(C)C)CC[NH2+]CC1 ZINC000423031345 392287668 /nfs/dbraw/zinc/28/76/68/392287668.db2.gz UXWJLXMRTKVIHW-NWDGAFQWSA-N 2 0 268.401 1.696 10 0 CDAERP COc1ccc(F)cc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000423058556 392306401 /nfs/dbraw/zinc/30/64/01/392306401.db2.gz CNCWTTLJSVOAPW-ZLKJLUDKSA-N 2 0 282.359 1.676 10 0 CDAERP C1CC1[C@H](NC1CC([NH+]2CCCCC2)C1)[C@H]1C[NH2+]CCO1 ZINC000423104175 392347997 /nfs/dbraw/zinc/34/79/97/392347997.db2.gz XYWHXXIJNDQQMR-BACDZXNISA-N 2 0 293.455 1.360 10 0 CDAERP CC(C[NH+]1CC[C@H](CO)[C@@H]1C)C[N@@H+]1CC[C@H](CO)[C@@H]1C ZINC000488738905 392410307 /nfs/dbraw/zinc/41/03/07/392410307.db2.gz VFPMNBRSNPRQCA-CAOSSQGBSA-N 2 0 284.444 1.028 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1[NH2+][C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000423177723 392417445 /nfs/dbraw/zinc/41/74/45/392417445.db2.gz HRDCXKDSKSRBMB-BPLDGKMQSA-N 2 0 263.360 1.874 10 0 CDAERP COc1ccc([C@H](N[C@H]2CCC[NH2+]C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423190739 392430297 /nfs/dbraw/zinc/43/02/97/392430297.db2.gz OAHPBUHAWDPFTE-XIRDDKMYSA-N 2 0 289.423 1.830 10 0 CDAERP CN(C)C(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000568249696 392434655 /nfs/dbraw/zinc/43/46/55/392434655.db2.gz YFBXADJGDBIJQZ-OAGGEKHMSA-N 2 0 289.423 1.545 10 0 CDAERP CCn1ccnc1[C@@H](C)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423283590 392487163 /nfs/dbraw/zinc/48/71/63/392487163.db2.gz XMHMDSKGHRVFSJ-CHWSQXEVSA-N 2 0 250.390 1.943 10 0 CDAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC1C[NH2+]C1 ZINC000423304926 392500507 /nfs/dbraw/zinc/50/05/07/392500507.db2.gz PXDGOUBCFQXNRK-RHSMWYFYSA-N 2 0 273.424 1.706 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+]CC1(O)Cc2ccccc2C1 ZINC000574069985 392506560 /nfs/dbraw/zinc/50/65/60/392506560.db2.gz RCNDRFYVDLSUTD-CYBMUJFWSA-N 2 0 262.397 1.623 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCc1ccc(F)cc1F ZINC000574442794 392596124 /nfs/dbraw/zinc/59/61/24/392596124.db2.gz DLSIPEFYUXMGMU-CYBMUJFWSA-N 2 0 272.339 1.851 10 0 CDAERP CC(C)[C@@H](C(=O)NC1CC([NH+]2CCCCC2)C1)[C@H](C)[NH3+] ZINC000423805444 392696248 /nfs/dbraw/zinc/69/62/48/392696248.db2.gz UHEVGPRFZXPJSM-VXGQWTEUSA-N 2 0 281.444 1.739 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C(N)=O)C2)[C@H]2CCC[C@H]21 ZINC000517294892 392871671 /nfs/dbraw/zinc/87/16/71/392871671.db2.gz AETBXNUXNKTBIZ-MQLXINIDSA-N 2 0 265.401 1.103 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+])C1CC1 ZINC000517367726 392878882 /nfs/dbraw/zinc/87/88/82/392878882.db2.gz RBZMKWXRJQDJFX-SOUVJXGZSA-N 2 0 281.444 1.741 10 0 CDAERP CC[NH+]1CCC[C@H](N[C@@H]2CC[N@@H+](CC)C[C@@H]2C)C1 ZINC000133013609 393152584 /nfs/dbraw/zinc/15/25/84/393152584.db2.gz JKNWLRCJLCZQHK-SOUVJXGZSA-N 2 0 253.434 1.791 10 0 CDAERP CCc1nccn1[C@@H](C)CC(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000648795495 393363821 /nfs/dbraw/zinc/36/38/21/393363821.db2.gz MZRAPEFGPDFVRB-KBPBESRZSA-N 2 0 292.427 1.949 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@@H](O)COc2ccc(F)cc2)C1 ZINC000656153424 413060495 /nfs/dbraw/zinc/06/04/95/413060495.db2.gz QXTICUWIVHKJLZ-VHDGCEQUSA-N 2 0 296.386 1.495 10 0 CDAERP COC(C)(C)CC[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000682530117 483272357 /nfs/dbraw/zinc/27/23/57/483272357.db2.gz VSVFHEACKCMRJD-OAHLLOKOSA-N 2 0 283.460 1.513 10 0 CDAERP CC1(CNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC[NH2+]CC1 ZINC000183309531 140027229 /nfs/dbraw/zinc/02/72/29/140027229.db2.gz LWSOEXIUBXKVIY-ZIAGYGMSSA-N 2 0 281.444 1.790 10 0 CDAERP CC(C)(CNC(=O)[C@H]1C[C@H](F)C[NH2+]1)[NH+]1CCCCC1 ZINC000188836364 140102088 /nfs/dbraw/zinc/10/20/88/140102088.db2.gz NPEMMRACWLZYQW-NWDGAFQWSA-N 2 0 271.380 1.067 10 0 CDAERP COc1cc([C@H](C)[NH2+]C[C@@H]2CN(C)CCN2C)ccc1F ZINC000212524808 140159594 /nfs/dbraw/zinc/15/95/94/140159594.db2.gz ZJXRMFFOTPEFRR-GXTWGEPZSA-N 2 0 295.402 1.731 10 0 CDAERP CCC(C)(C)NC(=O)CN(C)[C@@H]1CCC[NH2+]CC1 ZINC000231670256 140217637 /nfs/dbraw/zinc/21/76/37/140217637.db2.gz YDFPBEPBXBWCMX-GFCCVEGCSA-N 2 0 255.406 1.365 10 0 CDAERP C[C@@H]1C[N@@H+](CC2CC[NH+](C[C@H]3CCCO3)CC2)C[C@H](C)O1 ZINC000245385390 140263973 /nfs/dbraw/zinc/26/39/73/140263973.db2.gz CIRUFIINFQZGRO-HLLBOEOZSA-N 2 0 296.455 1.987 10 0 CDAERP CCC[NH+](CCC)CCCNC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261602442 140362453 /nfs/dbraw/zinc/36/24/53/140362453.db2.gz ABBRGLWDIQTFDV-HNNXBMFYSA-N 2 0 299.459 1.369 10 0 CDAERP Cc1[nH]nc2ncc(CN3CC[C@H]([NH3+])C(C)(C)C3)cc12 ZINC000261609257 140363772 /nfs/dbraw/zinc/36/37/72/140363772.db2.gz BSXSWSNDHVIDPB-ZDUSSCGKSA-N 2 0 273.384 1.826 10 0 CDAERP Cc1cc([C@H]2CCC[N@H+](C[C@H]3CCC[NH2+]C3)C2)[nH]n1 ZINC000261642665 140367997 /nfs/dbraw/zinc/36/79/97/140367997.db2.gz DKXPCFXLZSJNBW-KBPBESRZSA-N 2 0 262.401 1.897 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000261649520 140368499 /nfs/dbraw/zinc/36/84/99/140368499.db2.gz DILNNSILAFMJGG-YIYPIFLZSA-N 2 0 267.417 1.350 10 0 CDAERP C[C@@]([NH3+])(C(=O)N1CC[C@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000261649330 140368976 /nfs/dbraw/zinc/36/89/76/140368976.db2.gz AJFKCGNRROGNIR-BBRMVZONSA-N 2 0 275.396 1.446 10 0 CDAERP C[C@]1(CN2CCOC[C@H]2Cc2ccccc2)CC[NH2+]C1 ZINC000261687643 140375034 /nfs/dbraw/zinc/37/50/34/140375034.db2.gz ARVNWLXLZNNZGY-SJORKVTESA-N 2 0 274.408 1.930 10 0 CDAERP CCN(C(=O)N[C@H]1CC[NH+](CC2CC2)C1)[C@H]1CC[N@H+](C)C1 ZINC000664184808 413130272 /nfs/dbraw/zinc/13/02/72/413130272.db2.gz ZJIDSNHHTXHISO-GJZGRUSLSA-N 2 0 294.443 1.206 10 0 CDAERP CCN(C(=O)N[C@@H]1CC[NH+](CC2CC2)C1)[C@@H]1CC[N@H+](C)C1 ZINC000664184810 413129879 /nfs/dbraw/zinc/12/98/79/413129879.db2.gz ZJIDSNHHTXHISO-HUUCEWRRSA-N 2 0 294.443 1.206 10 0 CDAERP C[NH2+]CCCN(C)C(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662576941 413146690 /nfs/dbraw/zinc/14/66/90/413146690.db2.gz YGRYKEZCMKBQGP-CQSZACIVSA-N 2 0 261.369 1.289 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[C@@H]2C[NH+](C)C[C@H]21 ZINC000649638838 397885405 /nfs/dbraw/zinc/88/54/05/397885405.db2.gz XUNOMFLOMVNUAR-BZUAXINKSA-N 2 0 265.445 1.885 10 0 CDAERP CC(C)[NH+]1CCN(C(=O)C2CCC([NH3+])CC2)CC1 ZINC000037626432 398097277 /nfs/dbraw/zinc/09/72/77/398097277.db2.gz MFHMXJUPYLKVMI-UHFFFAOYSA-N 2 0 253.390 1.057 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CCOC[C@H]1C ZINC000658110072 413211369 /nfs/dbraw/zinc/21/13/69/413211369.db2.gz ZQDGZCCASCTKOU-QLFBSQMISA-N 2 0 271.449 1.273 10 0 CDAERP C[C@H]1C[C@H](N(C)C(=O)CC2CC[NH2+]CC2)CC[N@@H+]1C ZINC000178815668 148090445 /nfs/dbraw/zinc/09/04/45/148090445.db2.gz ROXSNXFOKALNFV-GXTWGEPZSA-N 2 0 267.417 1.317 10 0 CDAERP C([NH2+][C@H]1CCC[C@@H]1[C@@H]1COCCN1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262016094 149000447 /nfs/dbraw/zinc/00/04/47/149000447.db2.gz VZLNTPLNFRCOJW-HJWJTTGWSA-N 2 0 293.455 1.217 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000262066276 149007916 /nfs/dbraw/zinc/00/79/16/149007916.db2.gz SBGDDLSGMCSWQT-CABCVRRESA-N 2 0 297.443 1.121 10 0 CDAERP C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CC[NH+]2CCC1CC2 ZINC000335039609 150215443 /nfs/dbraw/zinc/21/54/43/150215443.db2.gz UPMMCYWSOBJNAA-ZFWWWQNUSA-N 2 0 265.401 1.201 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+]2CCC1CC2 ZINC000335786914 151019243 /nfs/dbraw/zinc/01/92/43/151019243.db2.gz QKLBBFNVOCQWFD-OAHLLOKOSA-N 2 0 279.428 1.556 10 0 CDAERP [NH3+]CC1(CC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CCCCC1 ZINC000335809507 151038635 /nfs/dbraw/zinc/03/86/35/151038635.db2.gz DLXUBGVOCSWKEX-UONOGXRCSA-N 2 0 279.428 1.496 10 0 CDAERP [NH3+]Cc1ccc(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)o1 ZINC000336127783 151293228 /nfs/dbraw/zinc/29/32/28/151293228.db2.gz QNHNLZPBASAPEZ-UHFFFAOYSA-N 2 0 289.310 1.775 10 0 CDAERP COc1cc(C[NH2+][C@H]2CN(C)C[C@@H]2C)ccc1OCCO ZINC000343352908 152134654 /nfs/dbraw/zinc/13/46/54/152134654.db2.gz JGKPTKPVAPSMBB-JSGCOSHPSA-N 2 0 294.395 1.106 10 0 CDAERP CC[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000654428695 413275434 /nfs/dbraw/zinc/27/54/34/413275434.db2.gz IWVGVNKTRZZWQT-SOUVJXGZSA-N 2 0 296.459 1.358 10 0 CDAERP C[NH+](C)C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000347033168 153386632 /nfs/dbraw/zinc/38/66/32/153386632.db2.gz RCYRQYSNORDSKJ-UHFFFAOYSA-N 2 0 267.417 1.271 10 0 CDAERP COc1ccc([C@H](NC[C@H]2CCC[NH2+]2)[C@H]2CCC[NH2+]2)cc1 ZINC000423230922 286375939 /nfs/dbraw/zinc/37/59/39/286375939.db2.gz FSVBRCUWBZQBRG-OIISXLGYSA-N 2 0 289.423 1.830 10 0 CDAERP C[NH2+]Cc1cn([C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000656455878 413279589 /nfs/dbraw/zinc/27/95/89/413279589.db2.gz OASDYMREAGFFJL-OAHLLOKOSA-N 2 0 271.368 1.445 10 0 CDAERP CC[N@H+](CCC1CC[NH+](C[C@@H](O)COC)CC1)CC1CC1 ZINC000348930067 154009582 /nfs/dbraw/zinc/00/95/82/154009582.db2.gz XJAKNFRUVRIQPK-QGZVFWFLSA-N 2 0 298.471 1.828 10 0 CDAERP CC(C)[NH+]1CCC([NH2+]CC[C@H](O)C(F)(F)F)CC1 ZINC000349292607 154082284 /nfs/dbraw/zinc/08/22/84/154082284.db2.gz CYJUWBYSJYWZCQ-NSHDSACASA-N 2 0 268.323 1.762 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(C(=O)C2([NH3+])CC3(CCC3)C2)C1 ZINC000662673451 413291004 /nfs/dbraw/zinc/29/10/04/413291004.db2.gz KRFGNJSVSFVRBV-ZDUSSCGKSA-N 2 0 279.428 1.591 10 0 CDAERP CC(C)OCC[C@@H](O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000349904689 154265556 /nfs/dbraw/zinc/26/55/56/154265556.db2.gz CVDZYVNWDLLCMX-QGZVFWFLSA-N 2 0 298.471 1.970 10 0 CDAERP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)CC1([NH3+])CC1 ZINC000662699998 413339159 /nfs/dbraw/zinc/33/91/59/413339159.db2.gz GMXIKGXDUVPFGO-ZDUSSCGKSA-N 2 0 267.417 1.639 10 0 CDAERP CC[C@@H](C[NH+]1CCCC1)NC(=O)N(CC)[C@H]1CC[N@H+](C)C1 ZINC000664406597 413354835 /nfs/dbraw/zinc/35/48/35/413354835.db2.gz AWCJZFJBJAZQMT-GJZGRUSLSA-N 2 0 296.459 1.596 10 0 CDAERP CSCC[C@H]([NH3+])C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000262595481 286672666 /nfs/dbraw/zinc/67/26/66/286672666.db2.gz WOJVVGIJBBCGJK-KBPBESRZSA-N 2 0 299.484 1.257 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)C1 ZINC000654515069 413382666 /nfs/dbraw/zinc/38/26/66/413382666.db2.gz ZHDLSZXNXRZVPC-MCIONIFRSA-N 2 0 265.401 1.071 10 0 CDAERP CCO[C@H]1C[C@@]([NH3+])(C(=O)NCC[C@@H]([NH3+])C(C)C)C1(C)C ZINC000662731069 413396858 /nfs/dbraw/zinc/39/68/58/413396858.db2.gz XJGDEERMWDZLFK-TYNCELHUSA-N 2 0 285.432 1.009 10 0 CDAERP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC000362992485 159285441 /nfs/dbraw/zinc/28/54/41/159285441.db2.gz LILBHIDDTARSSM-AWEZNQCLSA-N 2 0 295.471 1.907 10 0 CDAERP CCC[C@@H]([NH3+])C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000371561355 160027355 /nfs/dbraw/zinc/02/73/55/160027355.db2.gz RLAIZWANRLKYOR-QXSJWSMHSA-N 2 0 287.407 1.360 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000653214232 412141388 /nfs/dbraw/zinc/14/13/88/412141388.db2.gz MJQAOQDTPULCGP-CYBMUJFWSA-N 2 0 297.349 1.267 10 0 CDAERP CCC[C@](C)([NH3+])C(=O)NCCC[N@H+](C)CC(C)C ZINC000653176159 412116371 /nfs/dbraw/zinc/11/63/71/412116371.db2.gz LLNWEQZBAQWSEG-AWEZNQCLSA-N 2 0 257.422 1.598 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])CC[NH2+]1 ZINC000653241139 412160307 /nfs/dbraw/zinc/16/03/07/412160307.db2.gz YEOOFMMAXHPCDA-XDQVBPFNSA-N 2 0 267.417 1.350 10 0 CDAERP CC[C@@H]1CN(C(=O)C2([NH2+]C3CC3)CCC2)CC[C@H]1[NH3+] ZINC000662776100 413482779 /nfs/dbraw/zinc/48/27/79/413482779.db2.gz UQCYFIFUXGKTRN-DGCLKSJQSA-N 2 0 265.401 1.247 10 0 CDAERP [NH3+][C@@H]1CN(C(=O)CC2([NH3+])CC2)CC[C@H]1c1ccc(F)cc1 ZINC000662817062 413540300 /nfs/dbraw/zinc/54/03/00/413540300.db2.gz SIZDYYGYLBSAQN-UONOGXRCSA-N 2 0 291.370 1.350 10 0 CDAERP CC[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654663125 413557969 /nfs/dbraw/zinc/55/79/69/413557969.db2.gz GTYFMWOVRWXIPH-MCIONIFRSA-N 2 0 282.432 1.062 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC[NH2+]1 ZINC000662837965 413581717 /nfs/dbraw/zinc/58/17/17/413581717.db2.gz LLFMETVMOFBECB-BYNSBNAKSA-N 2 0 279.428 1.508 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000662867526 413628282 /nfs/dbraw/zinc/62/82/82/413628282.db2.gz AWZAIVSHGNEJQL-KCPJHIHWSA-N 2 0 293.386 1.515 10 0 CDAERP C[C@@]1(CNc2ccc([C@H]3C[NH2+]CCO3)cc2)CC[NH2+]C1 ZINC000656794343 413660857 /nfs/dbraw/zinc/66/08/57/413660857.db2.gz ZARUZZJKJTXGNG-HZPDHXFCSA-N 2 0 275.396 1.759 10 0 CDAERP C[NH+](C)C1CCN([C@H](C[NH3+])c2ccsc2)CC1 ZINC000036191386 172503048 /nfs/dbraw/zinc/50/30/48/172503048.db2.gz KQVBGMAQNVIERO-CYBMUJFWSA-N 2 0 253.415 1.774 10 0 CDAERP C[C@H](CCNC(=O)[C@@H]1[NH2+]CCCC1(C)C)[NH+](C)C ZINC000662858838 413620004 /nfs/dbraw/zinc/62/00/04/413620004.db2.gz INQLAZLFYBRFCD-NEPJUHHUSA-N 2 0 255.406 1.221 10 0 CDAERP CC[C@@H]1C[C@H]1CNC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000665022619 413796143 /nfs/dbraw/zinc/79/61/43/413796143.db2.gz CNYJJSUPEHAFER-ZNMIVQPWSA-N 2 0 298.475 1.604 10 0 CDAERP CCC(CC)(C[NH3+])C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662973776 413763284 /nfs/dbraw/zinc/76/32/84/413763284.db2.gz VXWDOYXLEMRYMY-CQSZACIVSA-N 2 0 299.459 1.321 10 0 CDAERP C[C@H](CNC(=O)NCC12CC(C1)C[NH2+]2)C[NH+]1CCCCC1 ZINC000659440897 413824254 /nfs/dbraw/zinc/82/42/54/413824254.db2.gz WPCZBCKCVHHRGB-VQCLRJIVSA-N 2 0 294.443 1.160 10 0 CDAERP CC[N@H+](CCNC(=O)NCC[C@@H]([NH3+])C(C)C)C1CC1 ZINC000659448542 413830316 /nfs/dbraw/zinc/83/03/16/413830316.db2.gz TUNBNVVZSBUNMF-CYBMUJFWSA-N 2 0 270.421 1.143 10 0 CDAERP CCCC[C@@H](C[NH3+])NC(=O)N[C@H](C)c1nccn1C ZINC000659522322 413921469 /nfs/dbraw/zinc/92/14/69/413921469.db2.gz BNUGNYFUXYYURA-MNOVXSKESA-N 2 0 267.377 1.298 10 0 CDAERP CC[NH2+]CCCNC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659505264 413897025 /nfs/dbraw/zinc/89/70/25/413897025.db2.gz KRPQSNUZWHBLJY-HNNXBMFYSA-N 2 0 296.459 1.407 10 0 CDAERP [NH3+]C1(CNC(=O)NCC23CC(C2)C[NH2+]3)CCCCCC1 ZINC000659505011 413898179 /nfs/dbraw/zinc/89/81/79/413898179.db2.gz FAMOGTWIGHZJGM-UHFFFAOYSA-N 2 0 280.416 1.089 10 0 CDAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000665282945 414018558 /nfs/dbraw/zinc/01/85/58/414018558.db2.gz FDTRUNJXDWVPCM-XHDPSFHLSA-N 3 0 264.417 1.873 10 0 CDAERP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](Cn1cccn1)C(C)C ZINC000665281392 414020020 /nfs/dbraw/zinc/02/00/20/414020020.db2.gz AWDUPHFMGDACEO-KGLIPLIRSA-N 2 0 252.406 1.871 10 0 CDAERP Cc1cc(C)c(C[NH2+]CCN2CC[NH+](C)CC2)cc1C ZINC000037496788 173235670 /nfs/dbraw/zinc/23/56/70/173235670.db2.gz SEHWIIFSBHANSL-UHFFFAOYSA-N 2 0 275.440 1.949 10 0 CDAERP CCC[N@H+](C1CC[NH2+]CC1)[C@H]1CCCCNC1=O ZINC000037538905 173259307 /nfs/dbraw/zinc/25/93/07/173259307.db2.gz PCTLKBKYUAFPRU-ZDUSSCGKSA-N 2 0 253.390 1.119 10 0 CDAERP CO[C@H](C[NH+]1CCC(C[NH+](C)C)CC1)[C@H]1CCOC1 ZINC000659843540 414171516 /nfs/dbraw/zinc/17/15/16/414171516.db2.gz BLTOPELUDLHFEZ-LSDHHAIUSA-N 2 0 270.417 1.312 10 0 CDAERP C[C@@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655803403 414195192 /nfs/dbraw/zinc/19/51/92/414195192.db2.gz ZWMWQLBAEFRNRP-LEOABGAYSA-N 2 0 283.460 1.556 10 0 CDAERP CC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccn(C)n1 ZINC000655805038 414198081 /nfs/dbraw/zinc/19/80/81/414198081.db2.gz JIVBXBQOBCVVCU-FRRDWIJNSA-N 2 0 250.390 1.801 10 0 CDAERP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655804354 414198597 /nfs/dbraw/zinc/19/85/97/414198597.db2.gz WCIUSXZKFIENTH-SCRDCRAPSA-N 2 0 262.401 1.727 10 0 CDAERP C[NH+]1CCC(CC[NH2+]Cc2cnn3c2CCC3)CC1 ZINC000657347528 414204929 /nfs/dbraw/zinc/20/49/29/414204929.db2.gz ANFRTJCVCRKFEQ-UHFFFAOYSA-N 2 0 262.401 1.651 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CO[C@H](CC)C1 ZINC000657389809 414271420 /nfs/dbraw/zinc/27/14/20/414271420.db2.gz OKTDZMLUHZQKCP-MGPQQGTHSA-N 2 0 258.406 1.500 10 0 CDAERP CO[C@H](C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)[C@H]1CCOC1 ZINC000659947696 414287092 /nfs/dbraw/zinc/28/70/92/414287092.db2.gz MMIPEUYOGYXQHX-OWCLPIDISA-N 2 0 282.428 1.456 10 0 CDAERP C[C@H]([NH3+])[C@H]1CCCN(Cc2nc3c(s2)C[NH2+]CC3)C1 ZINC000663494985 414292035 /nfs/dbraw/zinc/29/20/35/414292035.db2.gz MLCNVYLOSMAHRT-QWRGUYRKSA-N 2 0 280.441 1.348 10 0 CDAERP [NH3+]Cc1ccc(NCc2nc3c(s2)C[NH2+]CC3)cc1 ZINC000663496989 414294664 /nfs/dbraw/zinc/29/46/64/414294664.db2.gz KGLQQKFYFBHLMT-UHFFFAOYSA-N 2 0 274.393 1.860 10 0 CDAERP CCN(C(=O)NC[C@@H](C)[NH+](CC)CC)[C@H]1CC[N@H+](CC)C1 ZINC000663623575 414379064 /nfs/dbraw/zinc/37/90/64/414379064.db2.gz KFTCGRUUWJEBEC-CABCVRRESA-N 2 0 298.475 1.842 10 0 CDAERP Cc1cc(NCC[NH2+]C[C@H](C)O)nc(C(C)C)n1 ZINC000132317061 414391244 /nfs/dbraw/zinc/39/12/44/414391244.db2.gz MHGJASWVUMORQF-NSHDSACASA-N 2 0 252.362 1.291 10 0 CDAERP C[C@H](CCc1ccccc1)CN1CCOC2(C[NH2+]C2)C1 ZINC000663512433 414317782 /nfs/dbraw/zinc/31/77/82/414317782.db2.gz LRMJKBXTNUJZIK-OAHLLOKOSA-N 2 0 274.408 1.930 10 0 CDAERP COc1cccc(C[N@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662249897 414585318 /nfs/dbraw/zinc/58/53/18/414585318.db2.gz UPUSIMOBDLNVPE-HNNXBMFYSA-N 2 0 276.380 1.648 10 0 CDAERP CCC[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C[C@@H]1CCCCO1 ZINC000662255751 414590303 /nfs/dbraw/zinc/59/03/03/414590303.db2.gz DDEMCDYREDUIFZ-GJZGRUSLSA-N 2 0 282.428 1.789 10 0 CDAERP OCCC[N@@H+](Cc1ccccc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662283615 414613693 /nfs/dbraw/zinc/61/36/93/414613693.db2.gz BSBUONZQWDHJEL-MRXNPFEDSA-N 2 0 290.407 1.392 10 0 CDAERP C[C@H](O)C[N@H+](Cc1cccc2c1CC[NH2+]C2)C1CC1 ZINC000662285095 414615886 /nfs/dbraw/zinc/61/58/86/414615886.db2.gz WKKRVRHEKAYYOY-LBPRGKRZSA-N 2 0 260.381 1.678 10 0 CDAERP C[C@@]12COC[C@]1(C)C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000662301068 414625448 /nfs/dbraw/zinc/62/54/48/414625448.db2.gz ABZGQQZJTGIAQW-SOUVJXGZSA-N 2 0 252.402 1.735 10 0 CDAERP c1ccc(C2CC[NH+](C[C@@H]3CNCCO3)CC2)cc1 ZINC000662248607 414583103 /nfs/dbraw/zinc/58/31/03/414583103.db2.gz HLNZJMFDVLOALW-INIZCTEOSA-N 2 0 260.381 1.854 10 0 CDAERP CC(=O)C1(c2ccccc2)CC[NH+](CCC[NH3+])CC1 ZINC000039043705 174161673 /nfs/dbraw/zinc/16/16/73/174161673.db2.gz NTQVHBVWXDUWGU-UHFFFAOYSA-N 2 0 260.381 1.958 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)CC[NH2+]C(C)(C)C)C1 ZINC000040503582 174300268 /nfs/dbraw/zinc/30/02/68/174300268.db2.gz CYLFFRXGDVWMJC-LBPRGKRZSA-N 2 0 255.406 1.365 10 0 CDAERP CCC1CCC([N@@H+]2CCC[C@@H]2C(=O)N2CC[NH2+]CC2)CC1 ZINC000040508062 174303131 /nfs/dbraw/zinc/30/31/31/174303131.db2.gz TWTKFWQZQGVRHL-UYSNPLJNSA-N 2 0 293.455 1.851 10 0 CDAERP CO[C@H]1C[NH2+][C@H](C(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000040633000 174359513 /nfs/dbraw/zinc/35/95/13/174359513.db2.gz RECGLPPJBNKSFG-KGLIPLIRSA-N 2 0 277.368 1.064 10 0 CDAERP C([C@@H]1CCC[NH2+]1)N1CCC([NH+]2CCCCC2)CC1 ZINC000040694428 174378222 /nfs/dbraw/zinc/37/82/22/174378222.db2.gz NDSAQIYTNFPORU-AWEZNQCLSA-N 2 0 251.418 1.689 10 0 CDAERP C[NH+](C)CC1CCN([C@H](CC[NH3+])C(F)(F)F)CC1 ZINC000042391539 174706851 /nfs/dbraw/zinc/70/68/51/174706851.db2.gz IBDONHHISSKRBU-LLVKDONJSA-N 2 0 267.339 1.540 10 0 CDAERP CC[C@H]([NH3+])[C@H](c1ccccn1)N(C)C1CC[NH+](C)CC1 ZINC000043338860 175012983 /nfs/dbraw/zinc/01/29/83/175012983.db2.gz CRFVIPVMFOTJDY-GOEBONIOSA-N 2 0 276.428 1.886 10 0 CDAERP C[C@H]([NH3+])[C@@H](N1CCC([NH+](C)C)CC1)C(F)(F)F ZINC000043377610 175030225 /nfs/dbraw/zinc/03/02/25/175030225.db2.gz VDYFTGKXWBXXQR-WCBMZHEXSA-N 2 0 253.312 1.291 10 0 CDAERP CC(C)CNC(=O)[C@H](C)[N@H+](CCC[NH3+])CC(C)C ZINC000043417290 175038049 /nfs/dbraw/zinc/03/80/49/175038049.db2.gz XYDUKSPZCSULLD-ZDUSSCGKSA-N 2 0 257.422 1.454 10 0 CDAERP [NH3+]CC1(N2CCO[C@@H]3CCCC[C@@H]32)CCOCC1 ZINC000043424832 175039841 /nfs/dbraw/zinc/03/98/41/175039841.db2.gz YTDPQJDSZRZVKY-QWHCGFSZSA-N 2 0 254.374 1.138 10 0 CDAERP CCC[NH+]1CCN([C@H]2C[C@H](C)CC[C@@H]2[NH2+]C)CC1 ZINC000043805222 175107403 /nfs/dbraw/zinc/10/74/03/175107403.db2.gz OIRIMCBDNVXNMA-ILXRZTDVSA-N 2 0 253.434 1.791 10 0 CDAERP C[NH2+][C@@H](c1ccc(OC)cc1)[C@@H](C)N1CC[NH+](C)CC1 ZINC000043810532 175109709 /nfs/dbraw/zinc/10/97/09/175109709.db2.gz UDPGCSSRYOUHKP-CZUORRHYSA-N 2 0 277.412 1.592 10 0 CDAERP CC[NH2+][C@H]1c2ccccc2OC[C@H]1N1CCC[N@H+](C)CC1 ZINC000043818451 175113141 /nfs/dbraw/zinc/11/31/41/175113141.db2.gz SYBBMYVTAWNQEI-WBVHZDCISA-N 2 0 289.423 1.736 10 0 CDAERP CC[NH2+][C@@H]1CCC[C@@H]1N1CC[NH+](C(C)(C)C)CC1 ZINC000043965586 175127056 /nfs/dbraw/zinc/12/70/56/175127056.db2.gz FYBRDWPRIOFQEW-KGLIPLIRSA-N 2 0 253.434 1.933 10 0 CDAERP CCC[C@H]([NH2+]C)[C@@H](CC)N1CC[NH+](C2CC2)CC1 ZINC000043967583 175128324 /nfs/dbraw/zinc/12/83/24/175128324.db2.gz MHLDWZIZKVRXFF-LSDHHAIUSA-N 2 0 253.434 1.933 10 0 CDAERP CCC[NH+]1CCN([C@@H](c2cccnc2)[C@@H](C)[NH3+])CC1 ZINC000044419027 175173335 /nfs/dbraw/zinc/17/33/35/175173335.db2.gz ZQZIEPLRCVXRMH-UKRRQHHQSA-N 2 0 262.401 1.498 10 0 CDAERP CCCC[N@H+](C)CC1CCN(C(=O)C[NH2+]CCC)CC1 ZINC000044650659 175224509 /nfs/dbraw/zinc/22/45/09/175224509.db2.gz MFEGEDVHIVJCHE-UHFFFAOYSA-N 2 0 283.460 1.957 10 0 CDAERP CC[C@H](C[NH3+])C(=O)N[C@H](C)CCC[NH+](CC)CC ZINC000044798911 175255283 /nfs/dbraw/zinc/25/52/83/175255283.db2.gz WPCOSOBZYUOPIR-CHWSQXEVSA-N 2 0 257.422 1.598 10 0 CDAERP C[C@]1([NH2+]CCCCCCC[NH3+])CCS(=O)(=O)C1 ZINC000044933733 175280441 /nfs/dbraw/zinc/28/04/41/175280441.db2.gz IEFIONOLWPEZTH-LBPRGKRZSA-N 2 0 262.419 1.062 10 0 CDAERP CCCNC(=O)CC[NH2+][C@H](C)C1CC[NH+](CC)CC1 ZINC000045072515 175302130 /nfs/dbraw/zinc/30/21/30/175302130.db2.gz VNNVDHZGOTXOPV-CYBMUJFWSA-N 2 0 269.433 1.613 10 0 CDAERP CCOC(=O)[C@@H](C)C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000045134766 175312982 /nfs/dbraw/zinc/31/29/82/175312982.db2.gz HRWPCUHPLOUYQM-QWHCGFSZSA-N 2 0 256.390 1.506 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CN2CCC[NH2+]C[C@@H](C)C2)C1 ZINC000045136761 175313912 /nfs/dbraw/zinc/31/39/12/175313912.db2.gz OQMJKBNYFIBAHR-CABCVRRESA-N 2 0 253.434 1.648 10 0 CDAERP CCC[NH2+][C@@](C)(CCCC[NH+]1CCCC1)C(N)=O ZINC000045375281 175366697 /nfs/dbraw/zinc/36/66/97/175366697.db2.gz JIKIKSJGNLKKJW-AWEZNQCLSA-N 2 0 255.406 1.496 10 0 CDAERP CC(C)C[N@H+](C)CCCC[C@@](C)([NH2+]C(C)C)C(N)=O ZINC000045380910 175369657 /nfs/dbraw/zinc/36/96/57/175369657.db2.gz UFVZZIPYMAGMPB-OAHLLOKOSA-N 2 0 271.449 1.987 10 0 CDAERP CC(C)[NH2+][C@@](C)(CCCC[N@@H+]1CC[C@@H](C)C1)C(N)=O ZINC000045420281 175378434 /nfs/dbraw/zinc/37/84/34/175378434.db2.gz VSMVPFBPAFYLED-HIFRSBDPSA-N 2 0 269.433 1.741 10 0 CDAERP CC(C)[NH2+][C@@H]1CCN(C[C@@H](C)C[NH+]2CCCC2)C1=O ZINC000071031221 176022641 /nfs/dbraw/zinc/02/26/41/176022641.db2.gz ZTRFWFNVKHVAOV-UONOGXRCSA-N 2 0 267.417 1.317 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)N1CC[C@H]([NH2+]C2CC2)C1=O ZINC000071031978 176023126 /nfs/dbraw/zinc/02/31/26/176023126.db2.gz NUPIQNVPPAYNLI-KGLIPLIRSA-N 2 0 267.417 1.316 10 0 CDAERP CCC[NH2+][C@@H]1CCCN(CC(C)(C)[NH+](C)C)C1=O ZINC000071031567 176023210 /nfs/dbraw/zinc/02/32/10/176023210.db2.gz CJPCPVGVMFYMNP-GFCCVEGCSA-N 2 0 255.406 1.317 10 0 CDAERP CC[NH+](CC)CCCN1CC[C@@H]([NH2+]C(C)C)C1=O ZINC000071033334 176023888 /nfs/dbraw/zinc/02/38/88/176023888.db2.gz FNIQLSIDXAFARB-CYBMUJFWSA-N 2 0 255.406 1.317 10 0 CDAERP CCC[NH2+][C@@H]1CCCN([C@@H](C)C[NH+]2CCCC2)C1=O ZINC000071033565 176024472 /nfs/dbraw/zinc/02/44/72/176024472.db2.gz NMRGTBRLFBIMRJ-UONOGXRCSA-N 2 0 267.417 1.461 10 0 CDAERP COc1ccc(C)cc1[C@H]([NH3+])CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188710 176063506 /nfs/dbraw/zinc/06/35/06/176063506.db2.gz GYTGIWYRDCNVQD-GDBMZVCRSA-N 2 0 291.439 1.887 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)[C@@H](C[NH3+])c1c(F)cccc1F ZINC000071188621 176063863 /nfs/dbraw/zinc/06/38/63/176063863.db2.gz APDUPYSJGHSFED-RISCZKNCSA-N 2 0 283.366 1.848 10 0 CDAERP CCN[C@](C)(CC[N@H+](C)C[C@@H]1CC[NH+](C)C1)C(=O)OCC ZINC000071191023 176068539 /nfs/dbraw/zinc/06/85/39/176068539.db2.gz DTSITKPWADXZSQ-GDBMZVCRSA-N 2 0 299.459 1.191 10 0 CDAERP CN(C[C@H]1CC[N@H+](C)C1)c1ccc(C[NH2+]C(C)(C)C)nn1 ZINC000071191691 176072588 /nfs/dbraw/zinc/07/25/88/176072588.db2.gz AXMOKBJBFZRYFN-ZDUSSCGKSA-N 2 0 291.443 1.753 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)C[C@@H]2CC[NH+](C)C2)O1 ZINC000071192049 176073804 /nfs/dbraw/zinc/07/38/04/176073804.db2.gz BMCLZPUZAYUWSV-KFWWJZLASA-N 3 0 269.433 1.027 10 0 CDAERP CCC[NH2+][C@H]1CCCN(CCC[NH+]2CCCC2)C1 ZINC000071200304 176077568 /nfs/dbraw/zinc/07/75/68/176077568.db2.gz NAKOPBVFSGXGPY-HNNXBMFYSA-N 2 0 253.434 1.936 10 0 CDAERP COCC[N@H+](Cc1ccc(F)cc1C[NH3+])[C@H](C)COC ZINC000071263497 176096807 /nfs/dbraw/zinc/09/68/07/176096807.db2.gz IWDQMZMOAXJWLQ-GFCCVEGCSA-N 2 0 284.375 1.768 10 0 CDAERP Clc1ccc(C[NH2+]CCN2CCC[NH2+]CC2)s1 ZINC000071309651 176116886 /nfs/dbraw/zinc/11/68/86/176116886.db2.gz FLHFHXPPAURBFQ-UHFFFAOYSA-N 2 0 273.833 1.786 10 0 CDAERP C[C@@H]1CC[C@@H](C(=O)NCC[N@H+](C)C2CCCC2)C[C@@H]1[NH3+] ZINC000071380108 176144576 /nfs/dbraw/zinc/14/45/76/176144576.db2.gz YYGGDPXNRSITDP-NFAWXSAZSA-N 2 0 281.444 1.741 10 0 CDAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N1CC[NH2+]CC1 ZINC000073654461 176482792 /nfs/dbraw/zinc/48/27/92/176482792.db2.gz BQGHDVBOOBMJAZ-RDJZCZTQSA-N 2 0 273.424 1.802 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CCC([NH3+])CC1 ZINC000335211910 287389626 /nfs/dbraw/zinc/38/96/26/287389626.db2.gz ZTOCIADVIWGQLE-CHWSQXEVSA-N 2 0 282.432 1.382 10 0 CDAERP C[C@H]1C[C@H](C[NH3+])CN1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000417907724 227145169 /nfs/dbraw/zinc/14/51/69/227145169.db2.gz APCUEDVPRXDFIQ-FGZQJIAISA-N 2 0 296.459 1.486 10 0 CDAERP C[C@H](CCNC(=O)N1CC[C@H]([NH3+])[C@@H]1C)[NH+]1CCCCC1 ZINC000418002762 227499616 /nfs/dbraw/zinc/49/96/16/227499616.db2.gz MJQRWSPFUDPKFX-RDBSUJKOSA-N 2 0 282.432 1.382 10 0 CDAERP [NH3+]CCCNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418102500 228044133 /nfs/dbraw/zinc/04/41/33/228044133.db2.gz HNDQRLGMVLCVCA-OAHLLOKOSA-N 2 0 290.411 1.157 10 0 CDAERP C[C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C[NH3+] ZINC000424000786 287576011 /nfs/dbraw/zinc/57/60/11/287576011.db2.gz OPRSELWAMGEEDV-VXGBXAGGSA-N 2 0 276.384 1.205 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NCC1([NH+](C)C)CCC1 ZINC000659485216 423808466 /nfs/dbraw/zinc/80/84/66/423808466.db2.gz CFNRDQFFRZBCTO-GFCCVEGCSA-N 2 0 270.421 1.143 10 0 CDAERP COc1cc(C[N@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)ccc1O ZINC000662249013 423790492 /nfs/dbraw/zinc/79/04/92/423790492.db2.gz NFGGXPWNDJPXCS-ZDUSSCGKSA-N 2 0 292.379 1.354 10 0 CDAERP [NH3+]C[C@H](NCc1nc2c(s1)C[NH2+]CC2)C1CCCCC1 ZINC000663495378 423887284 /nfs/dbraw/zinc/88/72/84/423887284.db2.gz XFEMIPFAROIVFS-ZDUSSCGKSA-N 2 0 294.468 1.786 10 0 CDAERP c1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c2c(c1)C[NH2+]CC2 ZINC000662272016 423823131 /nfs/dbraw/zinc/82/31/31/423823131.db2.gz BGKLCJPJXSHKTH-GASCZTMLSA-N 3 0 285.435 1.764 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655445979 423860053 /nfs/dbraw/zinc/86/00/53/423860053.db2.gz WFFQOFKCBSJBGS-NVXWUHKLSA-N 2 0 293.455 1.614 10 0 CDAERP Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]CC[C@@H]2CC[NH2+]C2)cn1 ZINC000662309618 423942176 /nfs/dbraw/zinc/94/21/76/423942176.db2.gz BASQAJYTIFFQMM-CWRNSKLLSA-N 2 0 276.428 1.721 10 0 CDAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)N(C)CC[NH+]1CCCCC1 ZINC000652215877 424068408 /nfs/dbraw/zinc/06/84/08/424068408.db2.gz BTCOESGZLBMATH-UONOGXRCSA-N 2 0 282.432 1.112 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655515361 424161428 /nfs/dbraw/zinc/16/14/28/424161428.db2.gz ZBEWHSMKVNBVGF-SNVBAGLBSA-N 2 0 281.322 1.113 10 0 CDAERP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCCC1(C[NH3+])CC1 ZINC000652240377 424117256 /nfs/dbraw/zinc/11/72/56/424117256.db2.gz YSXFTMGCXIBRHM-QWHCGFSZSA-N 2 0 282.432 1.097 10 0 CDAERP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653055184 424180355 /nfs/dbraw/zinc/18/03/55/424180355.db2.gz UTUUTRZAKQRQTG-MCIONIFRSA-N 2 0 267.417 1.349 10 0 CDAERP O=C([C@@H]1CC[C@@H](C2CC2)[NH2+]1)N1CCC2(CC[NH2+]C2)CC1 ZINC000653143040 424367339 /nfs/dbraw/zinc/36/73/39/424367339.db2.gz BLSUELQHKUOTBF-KBPBESRZSA-N 2 0 277.412 1.119 10 0 CDAERP O=C([C@@H]1CC[C@H](C2CC2)[NH2+]1)N1CCC2(CC[NH2+]C2)CC1 ZINC000653143041 424368280 /nfs/dbraw/zinc/36/82/80/424368280.db2.gz BLSUELQHKUOTBF-KGLIPLIRSA-N 2 0 277.412 1.119 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655467857 424404753 /nfs/dbraw/zinc/40/47/53/424404753.db2.gz NYJNAUGVVVEXLG-OCUYMYNFSA-N 2 0 293.455 1.613 10 0 CDAERP CCCN(C(=O)NCC[C@@H]([NH3+])C(C)C)[C@@H]1CC[NH2+]C1 ZINC000659618398 424413465 /nfs/dbraw/zinc/41/34/65/424413465.db2.gz HJQQPJVEBGEDDT-CHWSQXEVSA-N 2 0 270.421 1.143 10 0 CDAERP COCC[C@H](COC)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400999266 424421617 /nfs/dbraw/zinc/42/16/17/424421617.db2.gz LQWMPKXOQQLMIS-REWJHTLYSA-N 2 0 256.390 1.016 10 0 CDAERP CC(C)[C@H]([NH3+])CCN[C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000665283538 424493490 /nfs/dbraw/zinc/49/34/90/424493490.db2.gz PMUILFORQWFZFM-FVQBIDKESA-N 2 0 263.429 1.908 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)NCC1([NH3+])CCCC1 ZINC000662863329 424531455 /nfs/dbraw/zinc/53/14/55/424531455.db2.gz OJKHYPQSONEYAZ-LLVKDONJSA-N 2 0 253.390 1.152 10 0 CDAERP CC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001667210719 1173246538 /nfs/dbraw/zinc/24/65/38/1173246538.db2.gz LZVXAUPLJSJYFM-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP CN1C(=O)c2ccccc2[C@@H]1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000530222115 271163824 /nfs/dbraw/zinc/16/38/24/271163824.db2.gz FUQKHKALLMTNDL-ZOWXZIJZSA-N 2 0 273.380 1.673 10 0 CDAERP COc1ccc(CC[NH2+][C@H]2CCCCC[C@H]2[NH3+])cn1 ZINC000530221892 271164100 /nfs/dbraw/zinc/16/41/00/271164100.db2.gz PMXYLUCSYGJBRV-KGLIPLIRSA-N 2 0 263.385 1.882 10 0 CDAERP COCC[C@@H](C)[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530239842 271176561 /nfs/dbraw/zinc/17/65/61/271176561.db2.gz IAJJHXQGUBRWFN-HIFRSBDPSA-N 2 0 270.417 1.502 10 0 CDAERP CC[NH+](CC)CCC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530239734 271177121 /nfs/dbraw/zinc/17/71/21/271177121.db2.gz HLHFGKPHWRLDTA-QGZVFWFLSA-N 3 0 297.487 1.809 10 0 CDAERP O[C@@H](CNC[C@H]1CC[N@@H+]1C1CCCC1)C[NH+]1CCCC1 ZINC000530241902 271178382 /nfs/dbraw/zinc/17/83/82/271178382.db2.gz FBZMYRVHEGDZRS-CVEARBPZSA-N 2 0 281.444 1.050 10 0 CDAERP CC(C)C[C@@H]([NH3+])CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530249818 271183245 /nfs/dbraw/zinc/18/32/45/271183245.db2.gz YZQNRTRDXJNHFX-HZPDHXFCSA-N 2 0 283.460 1.450 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H]1C ZINC000122476440 274301441 /nfs/dbraw/zinc/30/14/41/274301441.db2.gz XZOMYVLKGYOUEQ-KGLIPLIRSA-N 2 0 293.455 1.707 10 0 CDAERP CC(C)[NH+]1CCC(O)(C[NH2+][C@H]2CCCSC2)CC1 ZINC000352632745 275627242 /nfs/dbraw/zinc/62/72/42/275627242.db2.gz HPWWAJORSSKFDN-ZDUSSCGKSA-N 2 0 272.458 1.707 10 0 CDAERP CC1=C[C@H](C)C[C@@H](C[NH2+]C[C@](C)(O)C[NH+](C)C)C1 ZINC000300695395 275921596 /nfs/dbraw/zinc/92/15/96/275921596.db2.gz ICXBAWZQNZTTQY-CFVMTHIKSA-N 2 0 254.418 1.881 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2COCCO2)[C@H](C)C1 ZINC000336714092 276399046 /nfs/dbraw/zinc/39/90/46/276399046.db2.gz QGFGLLMYMBGVMQ-MCIONIFRSA-N 2 0 256.390 1.064 10 0 CDAERP C([C@@H]1CCC[NH2+]C1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000336056324 277723810 /nfs/dbraw/zinc/72/38/10/277723810.db2.gz FDGSNLRCPWEVCG-HZPDHXFCSA-N 2 0 265.445 1.936 10 0 CDAERP C[C@H](CC[NH2+]Cc1ccccc1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001668309402 1173394648 /nfs/dbraw/zinc/39/46/48/1173394648.db2.gz IYDXLVPVUPLDFZ-ZBFHGGJFSA-N 2 0 289.423 1.623 10 0 CDAERP C[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)C[NH+]1CCCC1 ZINC000171902828 278200003 /nfs/dbraw/zinc/20/00/03/278200003.db2.gz XGLZBFJPOJMKKQ-HUUCEWRRSA-N 2 0 294.443 1.208 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000417790476 278221127 /nfs/dbraw/zinc/22/11/27/278221127.db2.gz HTHNXTVNCSJHQA-ZIAGYGMSSA-N 2 0 281.444 1.788 10 0 CDAERP C[C@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000192978210 278289457 /nfs/dbraw/zinc/28/94/57/278289457.db2.gz VSAMAAAAKWLIQO-LSDHHAIUSA-N 2 0 254.418 1.955 10 0 CDAERP CC(C)(C)[NH+]1CCC(NC(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000037770555 278341206 /nfs/dbraw/zinc/34/12/06/278341206.db2.gz SJRWCEPQOOVFQM-GFCCVEGCSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@@H]1C[N@H+](C)C[C@H]1NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000336310384 288097602 /nfs/dbraw/zinc/09/76/02/288097602.db2.gz NWCGWNGSOOXVPE-DGCLKSJQSA-N 2 0 253.434 1.835 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000252388827 279130564 /nfs/dbraw/zinc/13/05/64/279130564.db2.gz GLQBVKRBVNZRMO-FPCVCCKLSA-N 2 0 295.471 2.000 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)N2C[C@H]3CCC[NH+]3C[C@H]2C)C1 ZINC000246956240 279320636 /nfs/dbraw/zinc/32/06/36/279320636.db2.gz DGHITCXRZABUTL-QLFBSQMISA-N 2 0 294.443 1.349 10 0 CDAERP [NH3+][C@@H]1CC[C@@H](C(=O)N2CCC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000373039612 279678270 /nfs/dbraw/zinc/67/82/70/279678270.db2.gz JDLKLBASDKVAPB-RBSFLKMASA-N 2 0 279.428 1.591 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000171906839 280098600 /nfs/dbraw/zinc/09/86/00/280098600.db2.gz ZWTNWFYHCUAFFR-ZIAGYGMSSA-N 2 0 282.432 1.206 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000246004172 280246207 /nfs/dbraw/zinc/24/62/07/280246207.db2.gz GMBBNCQGWNVXDH-CHWSQXEVSA-N 2 0 270.421 1.062 10 0 CDAERP CC[N@H+](CCNC(=O)N(C)[C@@H]1CC[NH+](C)[C@@H](C)C1)C1CC1 ZINC000246109699 280255137 /nfs/dbraw/zinc/25/51/37/280255137.db2.gz HSBPWYBCZCGJOT-DZGCQCFKSA-N 2 0 296.459 1.595 10 0 CDAERP CC[NH2+]CCN(CC)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001668435730 1173413309 /nfs/dbraw/zinc/41/33/09/1173413309.db2.gz RCMIIKRNBRKJLP-QWHCGFSZSA-N 2 0 255.406 1.175 10 0 CDAERP CC1(C)CN(C(=O)[C@H](C[NH3+])c2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000262159586 281206920 /nfs/dbraw/zinc/20/69/20/281206920.db2.gz XXGBEQBRIICAIY-KGLIPLIRSA-N 2 0 293.386 1.454 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000418597802 288324307 /nfs/dbraw/zinc/32/43/07/288324307.db2.gz PZBYSDXYLZKYKX-QLFBSQMISA-N 2 0 294.443 1.254 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@@H]2CCCCC[NH2+]2)CC1 ZINC000080994224 282049261 /nfs/dbraw/zinc/04/92/61/282049261.db2.gz HEMFEQTYODVIMV-ZDUSSCGKSA-N 2 0 253.390 1.071 10 0 CDAERP CCN(CC[NH2+]CCC(F)(F)F)C(=O)C[NH+]1CCCC1 ZINC001668646194 1173435446 /nfs/dbraw/zinc/43/54/46/1173435446.db2.gz UZZLFAXCRGKGMC-UHFFFAOYSA-N 2 0 295.349 1.473 10 0 CDAERP C[C@@H]1[C@H](C)N(C(=O)CC[C@@H]2CCCC[NH+]2C)CC[N@H+]1C ZINC000355609564 289010514 /nfs/dbraw/zinc/01/05/14/289010514.db2.gz CNFXQUNSDSDOFC-ILXRZTDVSA-N 2 0 281.444 1.802 10 0 CDAERP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000234243447 289035572 /nfs/dbraw/zinc/03/55/72/289035572.db2.gz XDDFEDTVLJHOKT-NSHDSACASA-N 2 0 255.406 1.221 10 0 CDAERP C[NH+](C)C1(CNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CCC1 ZINC000334950435 289047369 /nfs/dbraw/zinc/04/73/69/289047369.db2.gz FJAUAXPBAACIMS-HNNXBMFYSA-N 2 0 294.443 1.256 10 0 CDAERP C[NH+](C)C1(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CCCC1 ZINC000125736050 289054233 /nfs/dbraw/zinc/05/42/33/289054233.db2.gz YSBDFIZNFMSQBY-CHWSQXEVSA-N 2 0 267.417 1.352 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000417909737 289102592 /nfs/dbraw/zinc/10/25/92/289102592.db2.gz DGCRQUFDPBTVOI-UBHUBRDASA-N 2 0 282.432 1.143 10 0 CDAERP C[C@@]([NH3+])(C(=O)N1CCC[C@H](C[NH3+])C1)c1ccccc1 ZINC000336229679 289109825 /nfs/dbraw/zinc/10/98/25/289109825.db2.gz PEMONXAZVBCJHY-DOMZBBRYSA-N 2 0 261.369 1.058 10 0 CDAERP CCOCC[N@@H+]1CCN(CC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000153804166 289182447 /nfs/dbraw/zinc/18/24/47/289182447.db2.gz STPZSJMLPBZZIG-KRWDZBQOSA-N 2 0 297.487 1.761 10 0 CDAERP C[C@H](C(=O)N1CCC[C@H]1C[NH+](C)C)[NH+]1CCCCCC1 ZINC000362511902 289278588 /nfs/dbraw/zinc/27/85/88/289278588.db2.gz IIWBBXXXAVVBBT-CABCVRRESA-N 2 0 281.444 1.804 10 0 CDAERP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]C2CCN(C(N)=O)CC2)C1 ZINC000158648631 289314515 /nfs/dbraw/zinc/31/45/15/289314515.db2.gz YROSVHZJUDNHCH-KBPBESRZSA-N 2 0 296.459 1.487 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000557182889 290333836 /nfs/dbraw/zinc/33/38/36/290333836.db2.gz RNEQNNZDTRUXOQ-IPYPFGDCSA-N 2 0 294.443 1.158 10 0 CDAERP C[C@H]([NH2+]C[C@H]1CCCCN1CCO)c1ccoc1 ZINC000560349221 293024232 /nfs/dbraw/zinc/02/42/32/293024232.db2.gz DNSIZDBYWFXXGW-GXTWGEPZSA-N 2 0 252.358 1.777 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+]2CCC(C)CC2)C1 ZINC000561144602 293054063 /nfs/dbraw/zinc/05/40/63/293054063.db2.gz JFXZMLDCVMVILR-CQSZACIVSA-N 2 0 267.417 1.176 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000561198772 293062470 /nfs/dbraw/zinc/06/24/70/293062470.db2.gz ONQKCVOUALEDOT-IHRRRGAJSA-N 2 0 282.432 1.158 10 0 CDAERP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCC([NH2+]CCOC)CC1 ZINC000565149622 293531248 /nfs/dbraw/zinc/53/12/48/293531248.db2.gz WNVLPWNJOQYUBG-AWEZNQCLSA-N 2 0 299.459 1.238 10 0 CDAERP CC(C)C[C@H]([NH3+])c1noc(-c2ccnc(C[NH3+])c2)n1 ZINC000568266687 294004421 /nfs/dbraw/zinc/00/44/21/294004421.db2.gz HQGACFKEIFVNEA-NSHDSACASA-N 2 0 261.329 1.636 10 0 CDAERP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000568511884 294050305 /nfs/dbraw/zinc/05/03/05/294050305.db2.gz ZNTKXUKUTMNXJM-ZDEQEGDKSA-N 2 0 253.390 1.103 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H]2CC[NH2+][C@H]2C)cc1 ZINC000568608783 294066247 /nfs/dbraw/zinc/06/62/47/294066247.db2.gz BEPPYKXRWCQBKO-COPLHBTASA-N 2 0 261.369 1.321 10 0 CDAERP C[C@@H](CC1CCCCC1)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000568754474 294095311 /nfs/dbraw/zinc/09/53/11/294095311.db2.gz KKAFXDQMPSJGNW-DOTOQJQBSA-N 2 0 297.487 1.543 10 0 CDAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCOC2)[C@H](C)C1 ZINC000570718615 294295914 /nfs/dbraw/zinc/29/59/14/294295914.db2.gz ATMHQAPTEMDDAN-BZUAXINKSA-N 2 0 284.444 1.892 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCCCCO ZINC000574394153 294993008 /nfs/dbraw/zinc/99/30/08/294993008.db2.gz WMDINRXZVZROEN-UHFFFAOYSA-N 2 0 274.368 1.828 10 0 CDAERP C[NH2+][C@H](C)Cc1noc([C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)n1 ZINC000574571823 295020782 /nfs/dbraw/zinc/02/07/82/295020782.db2.gz PUDSDKRYBJLHCK-RHYQMDGZSA-N 2 0 264.373 1.813 10 0 CDAERP C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000574881592 295069164 /nfs/dbraw/zinc/06/91/64/295069164.db2.gz GUQGUNACNXRZPW-KBPBESRZSA-N 2 0 273.424 1.857 10 0 CDAERP CC[C@]1(C(=O)N2CC3CCC2(C[NH3+])CC3)CCC[NH2+]1 ZINC000574885494 295070461 /nfs/dbraw/zinc/07/04/61/295070461.db2.gz DAEZNAZEVIJUEU-PESDSKBTSA-N 2 0 265.401 1.249 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000261710109 295314455 /nfs/dbraw/zinc/31/44/55/295314455.db2.gz GCSJZEOKGDNUOQ-GZBFAFLISA-N 2 0 265.401 1.106 10 0 CDAERP [NH3+][C@@H]1C[C@@H](N[C@H]2C[NH2+]CCC2(F)F)c2ccccc21 ZINC000423476655 295324471 /nfs/dbraw/zinc/32/44/71/295324471.db2.gz JFDIDXZEUBCAEM-UPJWGTAASA-N 2 0 267.323 1.718 10 0 CDAERP [NH3+][C@H]1CCC[C@H](C(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000070576517 295337130 /nfs/dbraw/zinc/33/71/30/295337130.db2.gz HCTLPYMHUQOQSK-KBPBESRZSA-N 2 0 265.401 1.058 10 0 CDAERP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000417529752 297249311 /nfs/dbraw/zinc/24/93/11/297249311.db2.gz HBCUKPAAQVPDDS-BARDWOONSA-N 2 0 296.459 1.628 10 0 CDAERP C[C@H](C(=O)N1CCC([NH+](C)C)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245203147 298008423 /nfs/dbraw/zinc/00/84/23/298008423.db2.gz ZVHCBIWXNWXIBK-HZSPNIEDSA-N 2 0 281.444 1.800 10 0 CDAERP C[C@H](C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000367788321 298079077 /nfs/dbraw/zinc/07/90/77/298079077.db2.gz AHCSUGOTICQGJD-KHMAMNHCSA-N 2 0 279.428 1.458 10 0 CDAERP C[C@H](C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000367788324 298085469 /nfs/dbraw/zinc/08/54/69/298085469.db2.gz AHCSUGOTICQGJD-XLWJZTARSA-N 2 0 279.428 1.458 10 0 CDAERP C[C@H](CNC(=O)N[C@@H](C)[C@H](C)[NH3+])[NH+]1CCC(C)CC1 ZINC000417310458 298731133 /nfs/dbraw/zinc/73/11/33/298731133.db2.gz KCTKACHSBAIELF-AGIUHOORSA-N 2 0 270.421 1.142 10 0 CDAERP C[C@H]([NH3+])c1ccc(C(=O)N2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000335435056 299001293 /nfs/dbraw/zinc/00/12/93/299001293.db2.gz PYBHFEIZKYZFLY-ZDUSSCGKSA-N 2 0 287.407 1.922 10 0 CDAERP [NH3+][C@@H]1CC[C@@H](C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000262673636 303470785 /nfs/dbraw/zinc/47/07/85/303470785.db2.gz QHKQJSKXHDSZEH-KFWWJZLASA-N 2 0 279.428 1.591 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)C[NH2+]C(C)C)C1 ZINC001669644882 1173581033 /nfs/dbraw/zinc/58/10/33/1173581033.db2.gz JXMQAMRUEVIEEL-UONOGXRCSA-N 2 0 269.433 1.611 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@@](C)(C[NH2+]CC2CC2)C1 ZINC001671778967 1173710625 /nfs/dbraw/zinc/71/06/25/1173710625.db2.gz AFMLMFFUSTZIBU-HNNXBMFYSA-N 2 0 267.417 1.176 10 0 CDAERP CCC[C@@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)C1CCCC1 ZINC000566120887 316483665 /nfs/dbraw/zinc/48/36/65/316483665.db2.gz RDFKEBSMWMXZJS-IAGOWNOFSA-N 2 0 297.487 1.543 10 0 CDAERP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NCCNc1cc[nH+]cc1 ZINC000577175059 317278385 /nfs/dbraw/zinc/27/83/85/317278385.db2.gz CCBCPNLOQCSOTD-HUUCEWRRSA-N 2 0 290.411 1.329 10 0 CDAERP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000578618656 323977381 /nfs/dbraw/zinc/97/73/81/323977381.db2.gz LEMZEXUTKXXGMX-BFYDXBDKSA-N 2 0 293.455 1.886 10 0 CDAERP [NH3+][C@H]1CCCCCC[C@H]1C(=O)NCC1CC[NH2+]CC1 ZINC000579343335 324159974 /nfs/dbraw/zinc/15/99/74/324159974.db2.gz PIDIMJDYUVXISW-KGLIPLIRSA-N 2 0 267.417 1.400 10 0 CDAERP CC[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)n2ccnc2)C1 ZINC000582790831 325045247 /nfs/dbraw/zinc/04/52/47/325045247.db2.gz HFFGESSFAUIZPR-NEPJUHHUSA-N 2 0 250.346 1.045 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000583091435 325105278 /nfs/dbraw/zinc/10/52/78/325105278.db2.gz VTPDTTYZKHZIKR-UHFFFAOYSA-N 2 0 273.380 1.156 10 0 CDAERP C[NH+](C)Cc1cc(CNC(=O)CC[NH2+]C2CC2)ccc1F ZINC000584004528 325285486 /nfs/dbraw/zinc/28/54/86/325285486.db2.gz NRYJMTRTNPVJFS-UHFFFAOYSA-N 2 0 293.386 1.646 10 0 CDAERP Cc1noc(CCC[N@@H+](C)[C@H]2CCC[NH2+]CC2)n1 ZINC000584113940 327040780 /nfs/dbraw/zinc/04/07/80/327040780.db2.gz QGJOCDWIIFCZIC-LBPRGKRZSA-N 2 0 252.362 1.385 10 0 CDAERP CC(C)=CC[N@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001267215580 1159182345 /nfs/dbraw/zinc/18/23/45/1159182345.db2.gz MKWBULYCKLWRPD-UHFFFAOYSA-N 2 0 267.417 1.342 10 0 CDAERP C[C@H](CN[C@H]1C[C@H]([NH3+])C12CCC2)[NH+]1CCCCC1 ZINC000405204278 1159259818 /nfs/dbraw/zinc/25/98/18/1159259818.db2.gz CQSYVJUQEYBKIY-RDBSUJKOSA-N 2 0 251.418 1.720 10 0 CDAERP CC[NH2+]CCCCCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001691451999 1159311679 /nfs/dbraw/zinc/31/16/79/1159311679.db2.gz YKNSOGCIHIPGJV-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP CC1CC(C[NH2+]CCN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001691476867 1159335319 /nfs/dbraw/zinc/33/53/19/1159335319.db2.gz UMDHBJVCGVABEX-NFOMZHRRSA-N 2 0 281.444 1.422 10 0 CDAERP C[N@H+](CC(=O)NCC1=CC[NH+](CC2CC2)CC1)C1CCC1 ZINC001677570769 1174375374 /nfs/dbraw/zinc/37/53/74/1174375374.db2.gz NCLGSJOPRVIYCV-UHFFFAOYSA-N 2 0 291.439 1.629 10 0 CDAERP CCC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CC[C@@H](C)F ZINC001481132216 1159539054 /nfs/dbraw/zinc/53/90/54/1159539054.db2.gz HKOIZFAKTSUNCC-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]CC ZINC001481815461 1159947886 /nfs/dbraw/zinc/94/78/86/1159947886.db2.gz CJSZVTCHBIGNEG-STQMWFEESA-N 2 0 255.406 1.365 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001482118664 1159983920 /nfs/dbraw/zinc/98/39/20/1159983920.db2.gz ZRNRUHONVWTYJD-UONOGXRCSA-N 2 0 299.434 1.705 10 0 CDAERP CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)CCO1 ZINC001502094354 1160251141 /nfs/dbraw/zinc/25/11/41/1160251141.db2.gz FZWFTTSBPPNXNR-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CO[C@H](C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+])C1CCC1 ZINC000662270969 482222898 /nfs/dbraw/zinc/22/28/98/482222898.db2.gz CUANQPATOACUQJ-HUUCEWRRSA-N 2 0 297.443 1.121 10 0 CDAERP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@@H]2CCSC2)CCO1 ZINC000668784660 482312978 /nfs/dbraw/zinc/31/29/78/482312978.db2.gz HGBSQIWAVIDZFM-UONOGXRCSA-N 2 0 272.458 1.782 10 0 CDAERP C[NH+](C)C1(CNC(=O)NCCC2(C[NH3+])CC2)CCCCC1 ZINC000652118433 482442235 /nfs/dbraw/zinc/44/22/35/482442235.db2.gz CAXOMTIHNQSXRU-UHFFFAOYSA-N 2 0 296.459 1.679 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000652291751 482459083 /nfs/dbraw/zinc/45/90/83/482459083.db2.gz GMAIWMWMJKUHPE-CHWSQXEVSA-N 2 0 290.411 1.298 10 0 CDAERP O=C(NCC1CC[NH+](C2CC2)CC1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653160664 482465542 /nfs/dbraw/zinc/46/55/42/482465542.db2.gz QZAJHYOTDCESON-JKSUJKDBSA-N 2 0 291.439 1.508 10 0 CDAERP CN1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000671742433 482541939 /nfs/dbraw/zinc/54/19/39/482541939.db2.gz PDLDHXAMAAXZIX-YJNKXOJESA-N 2 0 251.418 1.543 10 0 CDAERP [NH3+][C@@H](CCC(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1ccccc1 ZINC000669520442 482559368 /nfs/dbraw/zinc/55/93/68/482559368.db2.gz PDXQKBBZFWJSJF-QWHCGFSZSA-N 2 0 297.349 1.580 10 0 CDAERP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)C[C@@]1(C)C[NH3+] ZINC000669521373 482569111 /nfs/dbraw/zinc/56/91/11/482569111.db2.gz WZNDDXHDAQBMIE-UZMCECQYSA-N 2 0 279.428 1.065 10 0 CDAERP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000684117326 482655392 /nfs/dbraw/zinc/65/53/92/482655392.db2.gz KOJPVGDBOWLIJW-KBPBESRZSA-N 2 0 296.459 1.500 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)c2ccc(C[NH3+])o2)CC1 ZINC000165865425 482762654 /nfs/dbraw/zinc/76/26/54/482762654.db2.gz SOFBLDJCCQLHSN-UHFFFAOYSA-N 2 0 279.384 1.590 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000684395782 482790745 /nfs/dbraw/zinc/79/07/45/482790745.db2.gz GEFYEBQUTYNKOF-GJZGRUSLSA-N 2 0 272.433 1.892 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656201342 482791824 /nfs/dbraw/zinc/79/18/24/482791824.db2.gz WALKDBQRJUKEGU-TUVASFSCSA-N 2 0 271.449 1.591 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)NC/C=C\C[NH3+])c1ccc(F)cc1 ZINC000669398674 482844789 /nfs/dbraw/zinc/84/47/89/482844789.db2.gz PVCBHYXPGWSRTR-NQHOJNORSA-N 2 0 294.374 1.243 10 0 CDAERP CCCNC(=O)CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657324331 482852371 /nfs/dbraw/zinc/85/23/71/482852371.db2.gz YQBIXJLUWJRRSX-UHFFFAOYSA-N 2 0 287.367 1.273 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)NCC1([NH3+])CCCCCC1 ZINC000262006067 482962841 /nfs/dbraw/zinc/96/28/41/482962841.db2.gz VQXPVVPZBBROLN-CHWSQXEVSA-N 2 0 267.417 1.529 10 0 CDAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000667999146 482991994 /nfs/dbraw/zinc/99/19/94/482991994.db2.gz WEKHVNYOCUFCMV-VNQPRFMTSA-N 2 0 281.444 1.170 10 0 CDAERP C[NH+]1CCC(N2CC[C@@H]([NH2+]CC3(C)CCC3)C2)CC1 ZINC000683436340 483044043 /nfs/dbraw/zinc/04/40/43/483044043.db2.gz LXOPZAQVSGKKON-CQSZACIVSA-N 2 0 265.445 1.935 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N2CCC(C)([NH3+])CC2)CC1 ZINC000669432891 483052142 /nfs/dbraw/zinc/05/21/42/483052142.db2.gz CYPSGMPZWRFWJT-UHFFFAOYSA-N 2 0 296.459 1.631 10 0 CDAERP C[N@@H+]1CCN(CC[NH2+][C@H]2CO[C@H](C3CC3)C2)CC1(C)C ZINC000668103356 483071608 /nfs/dbraw/zinc/07/16/08/483071608.db2.gz JBOKKUOJAMVYDP-CABCVRRESA-N 2 0 281.444 1.170 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)NCCC[NH2+]CC)CC1 ZINC000669433274 483093287 /nfs/dbraw/zinc/09/32/87/483093287.db2.gz GWQHDYVNHCXGBT-UHFFFAOYSA-N 2 0 284.448 1.407 10 0 CDAERP C[C@H](CO)C[NH+]1CCCC2(CCC[N@@H+](C[C@H](C)CO)C2)C1 ZINC000685593203 483180026 /nfs/dbraw/zinc/18/00/26/483180026.db2.gz QQNSWBUIRNXZSW-PYNWJHIZSA-N 2 0 298.471 1.421 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157736330 483259450 /nfs/dbraw/zinc/25/94/50/483259450.db2.gz JWVVUUBRTVLPMI-LSDHHAIUSA-N 2 0 287.407 1.544 10 0 CDAERP CN(Cc1ccnn1-c1cc[nH+]cc1)[C@H]1CCOC1 ZINC000667597411 483345092 /nfs/dbraw/zinc/34/50/92/483345092.db2.gz LZSHIVOANIAZJE-AWEZNQCLSA-N 2 0 258.325 1.488 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000136298196 483388335 /nfs/dbraw/zinc/38/83/35/483388335.db2.gz GDMXJBRGZAJAHM-MRXNPFEDSA-N 2 0 291.439 1.998 10 0 CDAERP C[NH+](C)CCOc1ccc(CC[NH2+]C2CSC2)cc1 ZINC000679626042 483397980 /nfs/dbraw/zinc/39/79/80/483397980.db2.gz OGCHZKNMGWOEPA-UHFFFAOYSA-N 2 0 280.437 1.875 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000136431510 483403109 /nfs/dbraw/zinc/40/31/09/483403109.db2.gz SJNGKBUYDUKZOE-AWEZNQCLSA-N 2 0 269.433 1.598 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)Nc2cccc3c2CC[NH2+]C3)C1 ZINC000667753992 483413563 /nfs/dbraw/zinc/41/35/63/483413563.db2.gz LPOQUWLFSQAMMH-ZDUSSCGKSA-N 2 0 288.395 1.548 10 0 CDAERP C[C@H](C[NH2+][C@H]1CO[C@@H](C2CC2)C1)CN1CC[NH+](C)CC1 ZINC000667851572 483459631 /nfs/dbraw/zinc/45/96/31/483459631.db2.gz SDAHUTRMZQIJMI-FVQBIDKESA-N 2 0 281.444 1.027 10 0 CDAERP C([C@H]1CCOC1)[NH+]1CCC([NH2+][C@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667872819 483467429 /nfs/dbraw/zinc/46/74/29/483467429.db2.gz KWHYNBCDDNDDJI-KBRIMQKVSA-N 2 0 294.439 1.644 10 0 CDAERP C[C@@H]1CN(CCC[NH2+][C@@H]2CO[C@H](C3CC3)C2)CCCO1 ZINC000668063980 483551359 /nfs/dbraw/zinc/55/13/59/483551359.db2.gz BSGHLRURGMCLCU-KBMXLJTQSA-N 2 0 282.428 1.644 10 0 CDAERP C[C@@H](CCNC(=O)N[C@H]1CCC[N@H+](C)C1)[NH+]1CCCCC1 ZINC000680273262 483571431 /nfs/dbraw/zinc/57/14/31/483571431.db2.gz WUHZRWXESJIBEB-GJZGRUSLSA-N 2 0 296.459 1.644 10 0 CDAERP COCCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001483172492 1160779794 /nfs/dbraw/zinc/77/97/94/1160779794.db2.gz QTWQCEOEZRQIMW-HUUCEWRRSA-N 2 0 299.459 1.380 10 0 CDAERP CCCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001700728013 1160797828 /nfs/dbraw/zinc/79/78/28/1160797828.db2.gz JKVBWXLFRPGELU-HUUCEWRRSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)[C@@H]1CC[C@H](C)[C@@H]([NH3+])C1 ZINC000055134727 519715841 /nfs/dbraw/zinc/71/58/41/519715841.db2.gz OLUFIYXYIXRJAU-ZNMIVQPWSA-N 2 0 283.460 1.796 10 0 CDAERP CC(C)[NH2+]CC1(C[N@H+](CCO)C(C)C)CCOCC1 ZINC000052198014 519719540 /nfs/dbraw/zinc/71/95/40/519719540.db2.gz YVSKJDWYPLFRGD-UHFFFAOYSA-N 2 0 272.433 1.484 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000061271123 520062967 /nfs/dbraw/zinc/06/29/67/520062967.db2.gz FJQNZQBHFWEQAR-NSHDSACASA-N 2 0 253.390 1.118 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1CC1(C[NH3+])CCCCC1 ZINC000061653518 521838806 /nfs/dbraw/zinc/83/88/06/521838806.db2.gz UXPOKMUIBHDRCH-AWEZNQCLSA-N 2 0 253.434 1.922 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001715976337 1179959168 /nfs/dbraw/zinc/95/91/68/1179959168.db2.gz KQJQMWWGWARBJW-BFHYXJOUSA-N 2 0 269.433 1.467 10 0 CDAERP C[NH2+]CC1(CN2CC[NH+](CC3CC3)CC2)CCOCC1 ZINC000052198159 521969747 /nfs/dbraw/zinc/96/97/47/521969747.db2.gz IEQDWZOJIRHLIX-UHFFFAOYSA-N 2 0 281.444 1.030 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCn1cc(C[NH2+]C(C)C)nn1 ZINC000052454177 521971740 /nfs/dbraw/zinc/97/17/40/521971740.db2.gz URZBBSANGWSMAN-CYBMUJFWSA-N 2 0 267.421 1.754 10 0 CDAERP C[NH2+]Cc1nc(N2CCC[C@@H]2C[NH+](C)C)ccc1Cl ZINC000061654355 522153968 /nfs/dbraw/zinc/15/39/68/522153968.db2.gz CSTCCDTUNPSJKP-LLVKDONJSA-N 2 0 282.819 1.985 10 0 CDAERP C[NH2+][C@@H](C)c1cnc(N2CCC[N@H+](C)CC2)s1 ZINC000054899125 522337033 /nfs/dbraw/zinc/33/70/33/522337033.db2.gz CBAUHZZIOUYIFW-JTQLQIEISA-N 2 0 254.403 1.565 10 0 CDAERP CN(CCC[NH2+]Cc1ccsc1)C(=O)CC[NH+](C)C ZINC001733123508 1183298669 /nfs/dbraw/zinc/29/86/69/1183298669.db2.gz JDZDNKUIFCQFHS-UHFFFAOYSA-N 2 0 283.441 1.638 10 0 CDAERP CC(C)(C)[NH+]1CCN([C@@H](C[NH3+])C2CCOCC2)CC1 ZINC000052177516 518713265 /nfs/dbraw/zinc/71/32/65/518713265.db2.gz SHZYDBRBVQAQGF-AWEZNQCLSA-N 2 0 269.433 1.156 10 0 CDAERP CC(C)(C)[NH+]1CCN([C@]2(C[NH3+])CCCSC2)CC1 ZINC000061590157 518713821 /nfs/dbraw/zinc/71/38/21/518713821.db2.gz NRXNQSRBFMZXJL-AWEZNQCLSA-N 2 0 271.474 1.627 10 0 CDAERP CC(C)(CO)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062035814 519278636 /nfs/dbraw/zinc/27/86/36/519278636.db2.gz YZDUPBCDTLUIBK-UHFFFAOYSA-N 2 0 254.418 1.813 10 0 CDAERP CC(C)[NH+]1CCN(C[C@@](C)([NH3+])c2ccccc2)CC1 ZINC000052883339 519681934 /nfs/dbraw/zinc/68/19/34/519681934.db2.gz NFIVOJZOIRORIM-MRXNPFEDSA-N 2 0 261.413 1.887 10 0 CDAERP CC(C)[NH+]1CCN(CCC[C@@H]2CCCC[NH2+]2)CC1 ZINC000050952735 519682272 /nfs/dbraw/zinc/68/22/72/519682272.db2.gz MUTMNIHCVKXQCG-HNNXBMFYSA-N 2 0 253.434 1.935 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CC[C@@H](C[NH+]2CCSCC2)O1 ZINC000052443286 519724096 /nfs/dbraw/zinc/72/40/96/519724096.db2.gz FTRSFLXWOKZVEX-STQMWFEESA-N 2 0 258.431 1.581 10 0 CDAERP CC(C)[NH2+]C[C@H]1CC[C@@H](COC2CC[NH+](C)CC2)O1 ZINC000052596878 519725907 /nfs/dbraw/zinc/72/59/07/519725907.db2.gz HKRKPYKFKWDYKF-CABCVRRESA-N 2 0 270.417 1.643 10 0 CDAERP CC(C)[C@H](CNC(=O)CCC1CC[NH2+]CC1)[NH+](C)C ZINC000050950045 519815314 /nfs/dbraw/zinc/81/53/14/519815314.db2.gz SBNYITKTUXEROV-AWEZNQCLSA-N 2 0 269.433 1.469 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@H]2CC[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000055141555 519846257 /nfs/dbraw/zinc/84/62/57/519846257.db2.gz KYEPDZNDQYRRFX-GUTXKFCHSA-N 2 0 281.444 1.741 10 0 CDAERP CCC[NH+]1CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000055086469 519856336 /nfs/dbraw/zinc/85/63/36/519856336.db2.gz CLZXMYIRWPWESL-STQMWFEESA-N 2 0 253.390 1.058 10 0 CDAERP CCC[NH+]1CCN(C[C@@]2(C[NH2+]C(C)(C)C)CCOC2)CC1 ZINC000051207543 519858651 /nfs/dbraw/zinc/85/86/51/519858651.db2.gz DVVFDCVLPISLJY-KRWDZBQOSA-N 2 0 297.487 1.809 10 0 CDAERP CC(C)c1nn(C)cc1C[NH2+]C1CCC([NH3+])CC1 ZINC000051694441 519882638 /nfs/dbraw/zinc/88/26/38/519882638.db2.gz PWGMLXZZKLWGJI-UHFFFAOYSA-N 2 0 250.390 1.903 10 0 CDAERP CCCC1(C[N@@H+]2CCCN(C)CC2)CC[NH2+]CC1 ZINC000062850610 519888734 /nfs/dbraw/zinc/88/87/34/519888734.db2.gz PNDNDUXXNPNBBB-UHFFFAOYSA-N 2 0 253.434 1.794 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000061266989 519962275 /nfs/dbraw/zinc/96/22/75/519962275.db2.gz NOOXLBUZHIRJAM-ZDUSSCGKSA-N 2 0 255.406 1.080 10 0 CDAERP CC[NH2+]Cc1cn(CC[N@H+](CCOC)[C@@H](C)CC)nn1 ZINC000052547342 520013341 /nfs/dbraw/zinc/01/33/41/520013341.db2.gz XQTPTUAJRNBFAK-ZDUSSCGKSA-N 2 0 283.420 1.135 10 0 CDAERP CC[NH2+]Cc1cn(CC[N@H+](C)C[C@@H](C)CC)nn1 ZINC000052454171 520014127 /nfs/dbraw/zinc/01/41/27/520014127.db2.gz PKXKSJWSPZDETE-LBPRGKRZSA-N 2 0 253.394 1.366 10 0 CDAERP CC[NH2+]Cc1coc(C[N@H+](CCCOC)CCOC)c1 ZINC000052543270 520018771 /nfs/dbraw/zinc/01/87/71/520018771.db2.gz KCPVDEYHXJMLAW-UHFFFAOYSA-N 2 0 284.400 1.874 10 0 CDAERP CC[NH2+][C@@H]1CCOC[C@H]1N1CCC(C[NH+]2CCCC2)CC1 ZINC000062051761 520120049 /nfs/dbraw/zinc/12/00/49/520120049.db2.gz UTRIYONDUDKSMB-IAGOWNOFSA-N 2 0 295.471 1.561 10 0 CDAERP CCN[C@H](CC[NH+]1CCC(C[NH+](C)C)CC1)C(=O)OCC ZINC000062460345 520189301 /nfs/dbraw/zinc/18/93/01/520189301.db2.gz YLSBQONLELTHND-OAHLLOKOSA-N 2 0 299.459 1.191 10 0 CDAERP CC[NH2+][C@H]1CCCC[C@H]1N1CCN(CC[NH+](C)C)CC1 ZINC000061643979 520213292 /nfs/dbraw/zinc/21/32/92/520213292.db2.gz RRRWDTMPOUFDID-JKSUJKDBSA-N 2 0 282.476 1.086 10 0 CDAERP CCO[C@H](C[NH3+])CN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000062739425 520517620 /nfs/dbraw/zinc/51/76/20/520517620.db2.gz FTCXLVKBWYIPKE-HZPDHXFCSA-N 2 0 277.412 1.339 10 0 CDAERP CCO[C@H]1CCC[N@H+](CC2(C[NH3+])CCOCC2)C1 ZINC000052198145 520528254 /nfs/dbraw/zinc/52/82/54/520528254.db2.gz KZEYDGVQOWMHKR-ZDUSSCGKSA-N 2 0 256.390 1.243 10 0 CDAERP CC1CC[NH+](CCCCNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000236696979 521004003 /nfs/dbraw/zinc/00/40/03/521004003.db2.gz BNCBFHAYULBBLQ-HUUCEWRRSA-N 2 0 281.444 1.742 10 0 CDAERP CC[NH+]1CCC(N(C)Cc2ccnc(C(N)=[NH2+])c2)CC1 ZINC000068761646 521564506 /nfs/dbraw/zinc/56/45/06/521564506.db2.gz AGEJQHVQVHMYDO-UHFFFAOYSA-N 2 0 275.400 1.282 10 0 CDAERP CC[NH+]1CCC(N(C)Cc2ccc(C[NH2+]C)o2)CC1 ZINC000052543992 521565226 /nfs/dbraw/zinc/56/52/26/521565226.db2.gz HNCVGJSCKMAIRD-UHFFFAOYSA-N 2 0 265.401 1.915 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C[C@@H](C[NH3+])c1ccccc1 ZINC000061642558 521836690 /nfs/dbraw/zinc/83/66/90/521836690.db2.gz ICTTWOBEEFFJEX-CVEARBPZSA-N 2 0 261.413 1.755 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000061645035 521863015 /nfs/dbraw/zinc/86/30/15/521863015.db2.gz YWRMUNVNYRUSJH-CVEARBPZSA-N 2 0 287.407 1.254 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C[C@@H](C[NH3+])c1ccccc1 ZINC000061642559 521869271 /nfs/dbraw/zinc/86/92/71/521869271.db2.gz ICTTWOBEEFFJEX-HZPDHXFCSA-N 2 0 261.413 1.755 10 0 CDAERP C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000054602569 521956280 /nfs/dbraw/zinc/95/62/80/521956280.db2.gz QYQAWSATQIHRDF-YPAMNDHTSA-N 2 0 263.429 1.828 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)CCC[NH2+]C(C)C)CC1 ZINC000055078104 522109464 /nfs/dbraw/zinc/10/94/64/522109464.db2.gz FEUXNLRRECOFIU-CQSZACIVSA-N 2 0 269.433 1.707 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000055078249 522113100 /nfs/dbraw/zinc/11/31/00/522113100.db2.gz QPNBCYWZGBFUOW-KGLIPLIRSA-N 2 0 267.417 1.319 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(Cc2cc(C[NH3+])oc2C)CC1 ZINC000055074210 522125560 /nfs/dbraw/zinc/12/55/60/522125560.db2.gz QPCBMMUFSLDRNI-GFCCVEGCSA-N 2 0 265.401 1.963 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(Cc2ccnc(C(N)=[NH2+])c2)CC1 ZINC000068761854 522126707 /nfs/dbraw/zinc/12/67/07/522126707.db2.gz HNOQYYJLGNTTFA-GFCCVEGCSA-N 2 0 275.400 1.282 10 0 CDAERP C[NH2+]Cc1occc1C[N@H+](CCOC)[C@@H](C)COC ZINC000052572344 522163384 /nfs/dbraw/zinc/16/33/84/522163384.db2.gz FORKXSBTBOBIBR-LBPRGKRZSA-N 2 0 270.373 1.482 10 0 CDAERP C[NH2+][C@@H]1CC[C@H](C)C[C@H]1CN1CC[C@H]([NH+](C)C)C1 ZINC000062970080 522398231 /nfs/dbraw/zinc/39/82/31/522398231.db2.gz DLBLLACOQSBHLD-ZQDZILKHSA-N 2 0 253.434 1.647 10 0 CDAERP CC[C@]1(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)CCC[NH2+]1 ZINC000245572379 523537597 /nfs/dbraw/zinc/53/75/97/523537597.db2.gz YGZKWLSIFYZQNJ-VNHYZAJKSA-N 2 0 265.401 1.214 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CNC(=O)CC1CCC([NH3+])CC1 ZINC000055138639 523797605 /nfs/dbraw/zinc/79/76/05/523797605.db2.gz IKOMABQQNQUQRM-RUXDESIVSA-N 2 0 267.417 1.495 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCC2CC(O)C2)[C@@H]2CCC[C@H]21 ZINC000353606232 523987958 /nfs/dbraw/zinc/98/79/58/523987958.db2.gz MVHCWZDFBOZGGF-QXRZNBQRSA-N 2 0 252.402 1.610 10 0 CDAERP C[NH+](C)C1CCN([C@@H](C[NH3+])CCc2ccccc2)CC1 ZINC000061624693 524041233 /nfs/dbraw/zinc/04/12/33/524041233.db2.gz IJJHYRPLPWEGTQ-QGZVFWFLSA-N 2 0 275.440 1.973 10 0 CDAERP CCc1ccc([C@H](C[NH3+])N2CCN(CC[NH+](C)C)CC2)o1 ZINC000061643130 524048432 /nfs/dbraw/zinc/04/84/32/524048432.db2.gz PJJZPXNFRWRIEC-HNNXBMFYSA-N 2 0 294.443 1.021 10 0 CDAERP CNC(=O)CCC[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000068817517 524064721 /nfs/dbraw/zinc/06/47/21/524064721.db2.gz MBFOXAAMNMCIRV-CYBMUJFWSA-N 2 0 255.406 1.367 10 0 CDAERP C[C@H](CC[NH+](C)C)[NH2+]C[C@H](O)c1ccc2c(c1)OCCO2 ZINC000049557006 524166319 /nfs/dbraw/zinc/16/63/19/524166319.db2.gz FOCFTVGNGCGKIX-OCCSQVGLSA-N 2 0 294.395 1.421 10 0 CDAERP C[C@@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)NCC(C)(C)C[NH+](C)C ZINC000055125310 524302133 /nfs/dbraw/zinc/30/21/33/524302133.db2.gz RPVXPOSZJICGSA-JHJVBQTASA-N 2 0 269.433 1.454 10 0 CDAERP C[C@H](C[NH3+])C[N@@H+]1CCCN(CCC[NH+]2CCCC2)CC1 ZINC000049332125 524308372 /nfs/dbraw/zinc/30/83/72/524308372.db2.gz FOFRCXFTBHCQIZ-MRXNPFEDSA-N 3 0 282.476 1.075 10 0 CDAERP C[C@@H]1CCC[C@@H]([NH2+]CCN2CCN(CC[NH+](C)C)CC2)C1 ZINC000061655364 524315677 /nfs/dbraw/zinc/31/56/77/524315677.db2.gz UOFXNVYCWAADRR-IAGOWNOFSA-N 2 0 296.503 1.334 10 0 CDAERP C[C@@H]1CCC[C@@](CO)([NH2+]CC2CC[NH+](C)CC2)C1 ZINC000054243981 524341017 /nfs/dbraw/zinc/34/10/17/524341017.db2.gz PLSJQERJUZEVND-UKRRQHHQSA-N 2 0 254.418 1.859 10 0 CDAERP C[C@@H](CC(=O)N1CCC([NH+](C)C)CC1)C1CC[NH2+]CC1 ZINC000237315439 524349393 /nfs/dbraw/zinc/34/93/93/524349393.db2.gz IONFBFJWMDJGJZ-ZDUSSCGKSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@H]1CC[C@@H]([NH3+])C[C@@H]1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000055132637 524360917 /nfs/dbraw/zinc/36/09/17/524360917.db2.gz DQPGGAIVDOYUTR-LZWOXQAQSA-N 2 0 293.455 1.837 10 0 CDAERP C[C@H](CN1[C@@H]2CC[C@H]1CC([NH3+])C2)[NH+]1CCCCC1 ZINC000054629470 524364132 /nfs/dbraw/zinc/36/41/32/524364132.db2.gz AFOIRRWMHVJDDV-FFHGMXDLSA-N 2 0 251.418 1.815 10 0 CDAERP C[C@@H](CC[NH+](C)C)NC(=O)CC1CCC([NH3+])CC1 ZINC000055140843 524466398 /nfs/dbraw/zinc/46/63/98/524466398.db2.gz ASPVYWSECKDWJG-HIFPTAJRSA-N 2 0 255.406 1.350 10 0 CDAERP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC000055140819 524470749 /nfs/dbraw/zinc/47/07/49/524470749.db2.gz FJJBQHVSHIBMGV-XQHKEYJVSA-N 2 0 255.406 1.206 10 0 CDAERP C[C@@H]1C[C@@H]([NH3+])CC[C@@H]1C(=O)N(C)CC[NH+]1CCCC1 ZINC000063055111 525247838 /nfs/dbraw/zinc/24/78/38/525247838.db2.gz BHWKAZSTTKVNHK-RDBSUJKOSA-N 2 0 267.417 1.304 10 0 CDAERP C[C@@H]1C[C@H]([NH3+])CC[C@@H]1C(=O)NCC(C)(C)C[NH+](C)C ZINC000055125320 525419339 /nfs/dbraw/zinc/41/93/39/525419339.db2.gz VWAKZQYSTJDQJO-UPJWGTAASA-N 2 0 269.433 1.454 10 0 CDAERP C[C@@H]([C@H](O)c1ccccc1)[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061652719 526023142 /nfs/dbraw/zinc/02/31/42/526023142.db2.gz GQEBVLOEXHDYHO-RDJZCZTQSA-N 2 0 291.439 1.288 10 0 CDAERP O[C@H](C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)C(F)(F)F ZINC000068890086 526270249 /nfs/dbraw/zinc/27/02/49/526270249.db2.gz WMTLYVZQNLECJJ-GHMZBOCLSA-N 2 0 266.307 1.374 10 0 CDAERP c1ccc([C@H]2CC[N@@H+](CCN3CCC[NH2+]CC3)C2)cc1 ZINC000061275824 526497226 /nfs/dbraw/zinc/49/72/26/526497226.db2.gz LCLWFGFAGZIMJZ-KRWDZBQOSA-N 2 0 273.424 1.771 10 0 CDAERP NC(=[NH2+])c1cc(C[N@H+](CCO)C2CCCC2)ccn1 ZINC000068761568 526818750 /nfs/dbraw/zinc/81/87/50/526818750.db2.gz BKKPHIJLPAAECR-UHFFFAOYSA-N 2 0 262.357 1.103 10 0 CDAERP NC(=[NH2+])c1ccc(OCC[N@@H+]2CCC[C@@H]2CCCO)cc1 ZINC000052760545 526823376 /nfs/dbraw/zinc/82/33/76/526823376.db2.gz VNWDHYKEBVUQCZ-CQSZACIVSA-N 2 0 291.395 1.586 10 0 CDAERP OC1(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)CC[NH2+]CC1 ZINC000051016241 527507150 /nfs/dbraw/zinc/50/71/50/527507150.db2.gz YHXKMDYNPWJTSA-SNVBAGLBSA-N 2 0 266.307 1.375 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cncn2C(C)C)CC1 ZINC000424137311 535741960 /nfs/dbraw/zinc/74/19/60/535741960.db2.gz RYHCVPSJNVQASE-OAHLLOKOSA-N 2 0 293.459 1.580 10 0 CDAERP C[NH2+]CCc1ccccc1C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000422534166 536447187 /nfs/dbraw/zinc/44/71/87/536447187.db2.gz ACWHAROZLHHUGI-DOMZBBRYSA-N 2 0 275.396 1.176 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000423085419 536593091 /nfs/dbraw/zinc/59/30/91/536593091.db2.gz JVNHUZTURZTQTH-CYBMUJFWSA-N 2 0 270.417 1.273 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](C(C)C)N1CCCC1 ZINC000234722721 536594560 /nfs/dbraw/zinc/59/45/60/536594560.db2.gz ZDGXHSZJTMZFJG-CABCVRRESA-N 2 0 271.449 1.450 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](O)C1CCCCC1 ZINC000422698614 536597004 /nfs/dbraw/zinc/59/70/04/536597004.db2.gz ADBOBLPMKVEMDH-KGLIPLIRSA-N 2 0 258.406 1.271 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](C(C)C)N1CCCC1 ZINC000234726506 536597130 /nfs/dbraw/zinc/59/71/30/536597130.db2.gz ZDGXHSZJTMZFJG-HUUCEWRRSA-N 2 0 271.449 1.450 10 0 CDAERP Cc1nn(C)c2sc([C@H]3CC[C@H](C[NH3+])C[NH2+]3)cc12 ZINC000757206437 574904763 /nfs/dbraw/zinc/90/47/63/574904763.db2.gz ADYXYFWVMUEQGN-MWLCHTKSSA-N 2 0 264.398 1.943 10 0 CDAERP CCC[N@H+](CC)CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001689936597 1175314632 /nfs/dbraw/zinc/31/46/32/1175314632.db2.gz WDZNHTJQOQKODF-UHFFFAOYSA-N 2 0 269.433 1.709 10 0 CDAERP CC[N@@H+](C/C=C\Cl)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001689969045 1175325342 /nfs/dbraw/zinc/32/53/42/1175325342.db2.gz FCQZATNEVSPRCW-IRBQFCFKSA-N 2 0 287.835 1.519 10 0 CDAERP CCCCCC[C@@H](C)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000840732838 620675100 /nfs/dbraw/zinc/67/51/00/620675100.db2.gz ITRNQDHICSSTJL-HZPDHXFCSA-N 2 0 285.476 1.543 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCOCC)C1 ZINC001690093183 1175372620 /nfs/dbraw/zinc/37/26/20/1175372620.db2.gz MZLQMRUYSLWULQ-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CCOCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001690233208 1175409466 /nfs/dbraw/zinc/40/94/66/1175409466.db2.gz ZLWPFNYNJGJIQY-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001690282169 1175422652 /nfs/dbraw/zinc/42/26/52/1175422652.db2.gz WDDRFGGMRZEPNY-SHTZXODSSA-N 2 0 291.439 1.818 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCCF)C2)C1 ZINC001690285703 1175424392 /nfs/dbraw/zinc/42/43/92/1175424392.db2.gz CSLOWGSKHHJQRT-KKUMJFAQSA-N 2 0 299.434 1.705 10 0 CDAERP CC1CC(C[NH2+][C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)C1 ZINC001690288722 1175425930 /nfs/dbraw/zinc/42/59/30/1175425930.db2.gz HTASHZPJTMCCRS-XTWLIDDBSA-N 2 0 267.417 1.221 10 0 CDAERP [NH3+][C@H]1C[C@H]([NH2+]CCCN2CCCCCC2=O)C12CCC2 ZINC000925508430 617396596 /nfs/dbraw/zinc/39/65/96/617396596.db2.gz HBEIWFSWEOAYDW-KBPBESRZSA-N 2 0 279.428 1.639 10 0 CDAERP CCc1nncn1CC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925514753 617421348 /nfs/dbraw/zinc/42/13/48/617421348.db2.gz LQMKZEHSGBXWGI-NWDGAFQWSA-N 2 0 265.405 1.336 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)C12CCC2 ZINC000925608575 617553368 /nfs/dbraw/zinc/55/33/68/617553368.db2.gz FMLXKIPZDBMECT-RRFJBIMHSA-N 2 0 281.444 1.083 10 0 CDAERP C[N@@H+]1CCCN(CCC[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925608559 617553413 /nfs/dbraw/zinc/55/34/13/617553413.db2.gz FEEQHLPRYVIGQJ-CVEARBPZSA-N 3 0 296.503 1.510 10 0 CDAERP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925609313 617553592 /nfs/dbraw/zinc/55/35/92/617553592.db2.gz SHBYJSKXUSLLFV-CVEARBPZSA-N 3 0 295.471 1.488 10 0 CDAERP COC[C@@H](C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)OC ZINC000925632035 617578982 /nfs/dbraw/zinc/57/89/82/617578982.db2.gz NZWKFFILJHPUFM-NDBYEHHHSA-N 2 0 256.390 1.014 10 0 CDAERP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925811105 617754142 /nfs/dbraw/zinc/75/41/42/617754142.db2.gz GZPUEOJHHKGFRV-TZMCWYRMSA-N 2 0 253.434 1.824 10 0 CDAERP CCc1noc([C@@H]2CC[C@H]([NH2+][C@H]3CCC[C@@H]3[NH3+])C2)n1 ZINC000925872366 617932676 /nfs/dbraw/zinc/93/26/76/617932676.db2.gz CEUCCXMYZZFKKE-RHYQMDGZSA-N 2 0 264.373 1.738 10 0 CDAERP CC[C@@H]([NH2+]CCOCC[NH+](C)C)c1cccc(OC)n1 ZINC000926255443 617640412 /nfs/dbraw/zinc/64/04/12/617640412.db2.gz RAMROVKJJDQVHS-CYBMUJFWSA-N 2 0 281.400 1.709 10 0 CDAERP C[C@@H](CCCO)C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925681350 617657591 /nfs/dbraw/zinc/65/75/91/617657591.db2.gz XHMJAPKWIBQWPW-RFQIPJPRSA-N 2 0 254.418 1.761 10 0 CDAERP COC[C@H](N[C@@H](C)[C@H]1CCC[NH2+]1)[C@H]1CCCOC1 ZINC000925781412 617692504 /nfs/dbraw/zinc/69/25/04/617692504.db2.gz YLXLDNJIFCLZEV-FQUUOJAGSA-N 2 0 256.390 1.158 10 0 CDAERP CCS(=O)(=O)CCC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925690733 617693869 /nfs/dbraw/zinc/69/38/69/617693869.db2.gz MWCOBIRTXIUTPQ-FRRDWIJNSA-N 2 0 288.457 1.177 10 0 CDAERP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)C1CC[NH+](C)CC1 ZINC000925785521 617708104 /nfs/dbraw/zinc/70/81/04/617708104.db2.gz UTCNINKLTSFQGU-YPMHNXCESA-N 3 0 275.387 1.551 10 0 CDAERP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925816069 617771597 /nfs/dbraw/zinc/77/15/97/617771597.db2.gz DFHIMDVITCKKHC-GOEBONIOSA-N 3 0 282.476 1.310 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@](C)(O)c1cccc(F)c1 ZINC000925820620 617787224 /nfs/dbraw/zinc/78/72/24/617787224.db2.gz GGNQQIZPYJFXGF-HUUCEWRRSA-N 2 0 284.375 1.377 10 0 CDAERP Cc1noc([C@@H]2OCC[C@@H]2[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)n1 ZINC000925719828 617843819 /nfs/dbraw/zinc/84/38/19/617843819.db2.gz USZJEOGAYZIDMO-ZDEQEGDKSA-N 2 0 294.399 1.704 10 0 CDAERP CCN1CC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000926858207 617860788 /nfs/dbraw/zinc/86/07/88/617860788.db2.gz LVACYWDIHXVDDP-WTXIUTQJSA-N 2 0 281.444 1.312 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CCCCCN2CC[NH2+]CC2)[C@@H](C)O1 ZINC000925847628 617883117 /nfs/dbraw/zinc/88/31/17/617883117.db2.gz SSVWGHPSLLJWBZ-KFWWJZLASA-N 2 0 269.433 1.217 10 0 CDAERP C[C@@H]([NH2+][C@@H]1CNOC1)c1cccc(OCC[NH+](C)C)c1 ZINC000925863920 617907353 /nfs/dbraw/zinc/90/73/53/617907353.db2.gz ORTQDJJHFKDCEW-TZMCWYRMSA-N 2 0 279.384 1.181 10 0 CDAERP COC[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C(C)C ZINC000925874670 617942888 /nfs/dbraw/zinc/94/28/88/617942888.db2.gz UFBCDKPFZFPWMK-ZQDZILKHSA-N 2 0 254.418 1.883 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(S(C)(=O)=O)cc1 ZINC000925877326 617951547 /nfs/dbraw/zinc/95/15/47/617951547.db2.gz OQLMNRVINWBSRL-SCRDCRAPSA-N 2 0 296.436 1.868 10 0 CDAERP O[C@H]1C[C@H](C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925732175 618040533 /nfs/dbraw/zinc/04/05/33/618040533.db2.gz WOFJMMPBOBBXRG-MXAVVETBSA-N 2 0 252.402 1.515 10 0 CDAERP C[N@H+](C[C@@H]1C[C@H]2COC[C@@H]2O1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000930459103 618166694 /nfs/dbraw/zinc/16/66/94/618166694.db2.gz DIAAFWFLNNYBSU-UEMDNKKBSA-N 2 0 280.412 1.347 10 0 CDAERP FC1(F)Oc2ccc(CN3CC[NH2+]CC[NH2+]CC3)cc2O1 ZINC000923460011 618339788 /nfs/dbraw/zinc/33/97/88/618339788.db2.gz KAVXDLPRSMKQTJ-UHFFFAOYSA-N 2 0 299.321 1.003 10 0 CDAERP C[C@H](C[NH2+][C@H](C)c1ccns1)CN1CC[NH+](C)CC1 ZINC000924947558 618369552 /nfs/dbraw/zinc/36/95/52/618369552.db2.gz DEINPLVSWADFQI-CHWSQXEVSA-N 2 0 282.457 1.677 10 0 CDAERP CC[C@H](C[C@@](C)(O)CC)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000924953212 618384100 /nfs/dbraw/zinc/38/41/00/618384100.db2.gz QKYQAMNDDFWEAX-BBWFWOEESA-N 2 0 299.503 1.789 10 0 CDAERP C[C@@H](C[NH2+]C1CC2(C1)CO[C@H](C)C2)N1CC[NH+](C)CC1 ZINC000924963959 618458010 /nfs/dbraw/zinc/45/80/10/618458010.db2.gz HVRAVYVDYBALFK-QRNKSROTSA-N 2 0 281.444 1.170 10 0 CDAERP COc1ccccc1[C@@H](O)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000817891332 618484632 /nfs/dbraw/zinc/48/46/32/618484632.db2.gz AAXPWEHYMUTLIA-JSGCOSHPSA-N 2 0 266.385 1.836 10 0 CDAERP Cc1ccnc(N)c1CN1CCC[C@@H]([NH+](C)C)CC1 ZINC000894564804 618964723 /nfs/dbraw/zinc/96/47/23/618964723.db2.gz ABEHVVDEUJOKAO-CYBMUJFWSA-N 2 0 262.401 1.888 10 0 CDAERP Cc1n[nH]c(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1C ZINC000894782987 619058449 /nfs/dbraw/zinc/05/84/49/619058449.db2.gz OQFDIUVEWJAQLU-HZMBPMFUSA-N 2 0 250.390 1.799 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC000928437497 619079249 /nfs/dbraw/zinc/07/92/49/619079249.db2.gz WXOFFTFMUGFMGG-JSGCOSHPSA-N 2 0 267.417 1.316 10 0 CDAERP C[C@@H]1C[N@H+](Cc2ccc(=O)[nH]c2)CCN1c1cc[nH+]cc1 ZINC000895555988 619726003 /nfs/dbraw/zinc/72/60/03/619726003.db2.gz DEOQBJSQBHLSTP-CYBMUJFWSA-N 2 0 284.363 1.893 10 0 CDAERP Cc1nn(C)c(Cl)c1C[NH2+]CCCC[NH+](C)C ZINC000133400328 620860621 /nfs/dbraw/zinc/86/06/21/620860621.db2.gz DRFUBBLGNLKALA-UHFFFAOYSA-N 2 0 258.797 1.813 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)[C@H]2CCC[C@@H]21 ZINC000926942765 621622793 /nfs/dbraw/zinc/62/27/93/621622793.db2.gz GITDOUOQCIEDTG-IBPCWRJOSA-N 2 0 280.412 1.253 10 0 CDAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCOC23CCOCC3)C1 ZINC000924706943 621681661 /nfs/dbraw/zinc/68/16/61/621681661.db2.gz RWRXAERVZKIETG-UONOGXRCSA-N 2 0 268.401 1.256 10 0 CDAERP C[C@H](C(=O)N1CC([NH+]2CCCC2)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000898612467 621818820 /nfs/dbraw/zinc/81/88/20/621818820.db2.gz GNIDVNOEIMNREQ-MGPQQGTHSA-N 2 0 279.428 1.554 10 0 CDAERP C[C@H](NC(=[NH2+])NCc1ccc2c[nH+]cn2c1)C1CC1 ZINC000899272372 622137732 /nfs/dbraw/zinc/13/77/32/622137732.db2.gz FCDVTVJILOMQIG-JTQLQIEISA-N 2 0 257.341 1.747 10 0 CDAERP C[NH+](C)CC(C)(C)CNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900010518 622633859 /nfs/dbraw/zinc/63/38/59/622633859.db2.gz ZVQCJIXRDAZVEU-ZIAGYGMSSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC000900189027 622784776 /nfs/dbraw/zinc/78/47/76/622784776.db2.gz TZQIMXIGPOWMGH-ZDUSSCGKSA-N 2 0 265.401 1.073 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)C[NH+]1CCCC1 ZINC000900273397 622859850 /nfs/dbraw/zinc/85/98/50/622859850.db2.gz XSXACHRKHWJGBK-OWCLPIDISA-N 2 0 293.455 1.851 10 0 CDAERP C(COC1CCOCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903227227 625925256 /nfs/dbraw/zinc/92/52/56/625925256.db2.gz OQGMERJYIUUNIA-VHRNVKJDSA-N 2 0 294.439 1.929 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000903433289 625990939 /nfs/dbraw/zinc/99/09/39/625990939.db2.gz YQLJWAJPHPJAHY-IJEWVQPXSA-N 2 0 282.428 1.502 10 0 CDAERP C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000903439741 625992456 /nfs/dbraw/zinc/99/24/56/625992456.db2.gz NNTABDKCPNHPNV-RFGFWPKPSA-N 2 0 288.457 1.401 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCn3ncc(Br)c3C2)C1 ZINC000903464267 625996840 /nfs/dbraw/zinc/99/68/40/625996840.db2.gz FORXEEIOOHPCKG-VHSXEESVSA-N 2 0 299.216 1.589 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCN(C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903446013 625998995 /nfs/dbraw/zinc/99/89/95/625998995.db2.gz RCVQPESSGHXZIW-KFWWJZLASA-N 3 0 253.434 1.506 10 0 CDAERP CCOC(=O)CCCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903471553 626004026 /nfs/dbraw/zinc/00/40/26/626004026.db2.gz UARNUWXDTYWNTA-LBPRGKRZSA-N 2 0 254.374 1.594 10 0 CDAERP C(C[NH2+][C@@H]1CC[NH2+]C12CCC2)CC1CC[NH2+]CC1 ZINC000903473092 626004522 /nfs/dbraw/zinc/00/45/22/626004522.db2.gz ZRRRTRFUGKAJDC-CQSZACIVSA-N 3 0 251.418 1.640 10 0 CDAERP [NH3+]CCN(Cc1cccc(Cl)c1)C[C@H]1CCC[NH2+]1 ZINC000903481949 626006458 /nfs/dbraw/zinc/00/64/58/626006458.db2.gz RNJGLCNVAJABCS-CQSZACIVSA-N 2 0 267.804 1.853 10 0 CDAERP C[C@@H]1C[N@H+](Cc2cc(CO)ccc2F)C[C@H]1CC[NH3+] ZINC000903498267 626008751 /nfs/dbraw/zinc/00/87/51/626008751.db2.gz AYTNZGYBCUYEJX-DGCLKSJQSA-N 2 0 266.360 1.735 10 0 CDAERP Cc1nc([C@@H]2CC[N@H+](CC[C@H]3CC[NH2+]C3)C2)no1 ZINC000903490816 626010531 /nfs/dbraw/zinc/01/05/31/626010531.db2.gz JIAJPFJJFYJAFY-VXGBXAGGSA-N 2 0 250.346 1.167 10 0 CDAERP C[NH2+]CCC[N@@H+]1C[C@@H]2COC[C@]2(c2ccccc2)C1 ZINC000903490978 626010556 /nfs/dbraw/zinc/01/05/56/626010556.db2.gz PLXXNIAROUNYNR-CVEARBPZSA-N 2 0 260.381 1.496 10 0 CDAERP [NH3+][C@@H]1CN(CCCC2CC[NH2+]CC2)CC[C@@H]1C(F)(F)F ZINC000903538959 626015915 /nfs/dbraw/zinc/01/59/15/626015915.db2.gz FVTGYCAMWFJHGG-QWHCGFSZSA-N 2 0 293.377 1.978 10 0 CDAERP C[NH2+]CCN(Cc1cccc2c1CC[NH2+]C2)C(C)C ZINC000903575419 626029401 /nfs/dbraw/zinc/02/94/01/626029401.db2.gz NZMUJYMNRYCWSI-UHFFFAOYSA-N 2 0 261.413 1.762 10 0 CDAERP C(CC1CC[NH2+]CC1)C[N@@H+]1CCOC[C@H]1C[C@@H]1CCOC1 ZINC000903825327 626104528 /nfs/dbraw/zinc/10/45/28/626104528.db2.gz YYCUSCQAFVBTMP-DLBZAZTESA-N 2 0 296.455 1.894 10 0 CDAERP [NH3+][C@@H](CC(F)F)CN1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000903889997 626124529 /nfs/dbraw/zinc/12/45/29/626124529.db2.gz XSSHWEBKCDDNRR-QWHCGFSZSA-N 2 0 275.387 1.919 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)Cc2ccccc2)cnn1C ZINC000903873978 626127823 /nfs/dbraw/zinc/12/78/23/626127823.db2.gz PXDAUZIYHYMRFK-INIZCTEOSA-N 2 0 286.423 1.978 10 0 CDAERP C[N@H+](C[C@@H]1CCC[C@@H]1O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903898090 626136775 /nfs/dbraw/zinc/13/67/75/626136775.db2.gz ITFQHFIVGNWSSS-OEWLLCOZSA-N 2 0 252.402 1.610 10 0 CDAERP CC[C@H]([NH2+]C[C@H](C[NH3+])Cc1cnn(C)c1C)[C@@H]1CCCO1 ZINC000903922852 626147603 /nfs/dbraw/zinc/14/76/03/626147603.db2.gz GGCXNNXKXKJKPC-BPUTZDHNSA-N 2 0 294.443 1.393 10 0 CDAERP C[C@H](C[C@H]1CCC[NH2+]1)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903970169 626167638 /nfs/dbraw/zinc/16/76/38/626167638.db2.gz RMHFJACKGRBWRF-RBSFLKMASA-N 2 0 281.444 1.265 10 0 CDAERP C[C@H](C[C@@H]1CCC[NH2+]1)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903970168 626167899 /nfs/dbraw/zinc/16/78/99/626167899.db2.gz RMHFJACKGRBWRF-QLFBSQMISA-N 2 0 281.444 1.265 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1ncc(CN(C)C)s1 ZINC000903978706 626170394 /nfs/dbraw/zinc/17/03/94/626170394.db2.gz LIXCQIMOQBIDTR-VXGBXAGGSA-N 2 0 282.457 1.540 10 0 CDAERP [NH2+]=C(NCC[NH+]1CCCC1)NC[C@H]1CCCS1 ZINC000905041590 626380963 /nfs/dbraw/zinc/38/09/63/626380963.db2.gz KXKFNWBGIUNCHC-LLVKDONJSA-N 2 0 256.419 1.092 10 0 CDAERP C[NH2+]CCOc1ccccc1-c1nc(C2([NH3+])CCC2)no1 ZINC000905303905 626755759 /nfs/dbraw/zinc/75/57/59/626755759.db2.gz GEIYHOQOZUOGEM-UHFFFAOYSA-N 2 0 288.351 1.673 10 0 CDAERP C[C@H](NC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)C1=CC[NH+](C)CC1 ZINC000907282797 627591440 /nfs/dbraw/zinc/59/14/40/627591440.db2.gz QQSYNZDPIXFGQE-NUEKZKHPSA-N 2 0 291.439 1.770 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000907520370 627712520 /nfs/dbraw/zinc/71/25/20/627712520.db2.gz ZKLGWZHHKDKMOI-TUVASFSCSA-N 2 0 279.428 1.602 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)[NH+](C)C ZINC000911559865 629322854 /nfs/dbraw/zinc/32/28/54/629322854.db2.gz PRYNLAZAGRJRHH-XQQFMLRXSA-N 2 0 253.390 1.070 10 0 CDAERP CC[C@@H](C(=O)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1)[NH+](CC)CC ZINC000913287929 630436085 /nfs/dbraw/zinc/43/60/85/630436085.db2.gz KRVOAVOGDKMFBW-BHYGNILZSA-N 2 0 295.471 1.907 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC000913334322 630447242 /nfs/dbraw/zinc/44/72/42/630447242.db2.gz LCSHCQVAGKMKCU-MELADBBJSA-N 2 0 265.401 1.214 10 0 CDAERP CC[C@@H](C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C)[NH+](C)C ZINC000913814248 630800930 /nfs/dbraw/zinc/80/09/30/630800930.db2.gz RJUZSOARNPIAGE-XQQFMLRXSA-N 2 0 253.390 1.022 10 0 CDAERP C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)C[NH+](C)C ZINC000914444373 631481694 /nfs/dbraw/zinc/48/16/94/631481694.db2.gz UDRSRGHUAVHHPG-QWHCGFSZSA-N 2 0 255.406 1.269 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N[C@H]1CC[NH+](C)[C@@H]1C ZINC000921181490 632892633 /nfs/dbraw/zinc/89/26/33/632892633.db2.gz QNUVUSCAYBAAQY-OLZOCXBDSA-N 2 0 270.421 1.110 10 0 CDAERP Cc1ccc(C[C@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC001649722574 1158581162 /nfs/dbraw/zinc/58/11/62/1158581162.db2.gz AGEYALPRYCUZRI-HNNXBMFYSA-N 2 0 276.424 1.972 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001731516010 1159298863 /nfs/dbraw/zinc/29/88/63/1159298863.db2.gz AAMAKXJPFMLSKJ-OAHLLOKOSA-N 2 0 293.455 1.853 10 0 CDAERP C[NH+]1CCC(C)(C[NH2+]C[C@@H](O)C(F)(F)F)CC1 ZINC000226348201 1164260487 /nfs/dbraw/zinc/26/04/87/1164260487.db2.gz OAAMJILFIKFLCB-SECBINFHSA-N 2 0 254.296 1.231 10 0 CDAERP COC[C@H](C[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1)C(C)C ZINC001620628459 1165660468 /nfs/dbraw/zinc/66/04/68/1165660468.db2.gz NWFUZUMNDNVFKQ-ZNMIVQPWSA-N 2 0 254.418 1.789 10 0 CDAERP CC[C@H](C)C[NH+]1CC(N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001671182876 1166843983 /nfs/dbraw/zinc/84/39/83/1166843983.db2.gz GKBWATZYMVJWFQ-ZDUSSCGKSA-N 2 0 269.433 1.517 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001645745755 1167485136 /nfs/dbraw/zinc/48/51/36/1167485136.db2.gz GLLVAJPQKSFCBS-QLFBSQMISA-N 2 0 298.475 1.889 10 0 CDAERP CCC[NH2+][C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001566793360 1168424715 /nfs/dbraw/zinc/42/47/15/1168424715.db2.gz PICIZTWGOIVYAL-IHRRRGAJSA-N 2 0 267.417 1.508 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCC[C@H]1[NH3+])c1ccsc1 ZINC001647249055 1168490752 /nfs/dbraw/zinc/49/07/52/1168490752.db2.gz OOXDQCPCZCEHQG-MGPQQGTHSA-N 2 0 295.452 1.985 10 0 CDAERP CCC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001567128812 1168588281 /nfs/dbraw/zinc/58/82/81/1168588281.db2.gz VQPJNXRMISPVKY-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001567154807 1168600505 /nfs/dbraw/zinc/60/05/05/1168600505.db2.gz JMCNBRLKBLOQTN-CQSZACIVSA-N 2 0 269.433 1.421 10 0 CDAERP CC[C@H](C)C[NH2+]CCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001567510921 1168821737 /nfs/dbraw/zinc/82/17/37/1168821737.db2.gz KYVLMUCLDNAFBG-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H]2CCCC[C@H]2[NH3+])C1 ZINC001649857045 1169438736 /nfs/dbraw/zinc/43/87/36/1169438736.db2.gz CQIDSWIMWGTMBK-SOUVJXGZSA-N 2 0 281.444 1.694 10 0 CDAERP CC[C@@H](C)C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001569188884 1169712172 /nfs/dbraw/zinc/71/21/72/1169712172.db2.gz OKRFVYYQFFAAJZ-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP COCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001569561957 1169925722 /nfs/dbraw/zinc/92/57/22/1169925722.db2.gz ADQKZGGEBGMTCV-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@H](C(=O)N1CC[C@H](CC[NH2+]C(C)C)C1)[NH+](C)C ZINC001570014717 1170057146 /nfs/dbraw/zinc/05/71/46/1170057146.db2.gz AYZAVTQKEOIJSY-UONOGXRCSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001570018986 1170059390 /nfs/dbraw/zinc/05/93/90/1170059390.db2.gz LNFJTADAYMSUGS-JKSUJKDBSA-N 2 0 295.471 1.812 10 0 CDAERP COCCC[NH2+][C@H](C)CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001571410558 1170416840 /nfs/dbraw/zinc/41/68/40/1170416840.db2.gz MIAOACPKQCSSOH-OAHLLOKOSA-N 2 0 299.459 1.191 10 0 CDAERP O=C(N1CC[C@@H](C[NH2+]CCF)C1)C12CCC[NH+]1CCC2 ZINC001662654371 1172577258 /nfs/dbraw/zinc/57/72/58/1172577258.db2.gz HNCSXOZGDVFXOO-ZDUSSCGKSA-N 2 0 283.391 1.022 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)C1([NH+](C)C)CCCC1 ZINC001585191775 1172884588 /nfs/dbraw/zinc/88/45/88/1172884588.db2.gz KEWYAYFWPRQBQS-UHFFFAOYSA-N 2 0 255.406 1.317 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001664739790 1172902666 /nfs/dbraw/zinc/90/26/66/1172902666.db2.gz COMHJBYXVTUFQH-HNNXBMFYSA-N 2 0 281.444 1.733 10 0 CDAERP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC(C)C ZINC001665888260 1173080895 /nfs/dbraw/zinc/08/08/95/1173080895.db2.gz QIIFDWNAYMWMIC-ZDUSSCGKSA-N 2 0 255.406 1.223 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CCCF ZINC001668822320 1173469702 /nfs/dbraw/zinc/46/97/02/1173469702.db2.gz WTNXCUDLZAKCPX-RDFMZFSFSA-N 2 0 285.407 1.481 10 0 CDAERP CC(C)C[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001668834174 1173471204 /nfs/dbraw/zinc/47/12/04/1173471204.db2.gz SLONMZOFKLJKTN-HLMASZERSA-N 2 0 267.417 1.245 10 0 CDAERP CCOCC[NH2+]C1CC(N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001677403351 1174357961 /nfs/dbraw/zinc/35/79/61/1174357961.db2.gz IQFQUZGSJHAHON-UHFFFAOYSA-N 2 0 297.443 1.086 10 0 CDAERP C[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)CC1CC1 ZINC001689813621 1175271275 /nfs/dbraw/zinc/27/12/75/1175271275.db2.gz XXUBUMVIQXAUEU-UHFFFAOYSA-N 2 0 279.428 1.463 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+]CCCF ZINC001690487264 1175480886 /nfs/dbraw/zinc/48/08/86/1175480886.db2.gz MMJAELUJGSSVOR-CQSZACIVSA-N 2 0 287.423 1.657 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@H]1CCC[C@H]1C[NH2+]CCC1CC1 ZINC001699056567 1176062011 /nfs/dbraw/zinc/06/20/11/1176062011.db2.gz CHSGTVYLNQKMOD-HOTGVXAUSA-N 2 0 293.455 1.757 10 0 CDAERP C[C@H](CC[NH2+]CC1CCCC1)NC(=O)CC[NH+](C)C ZINC001699131975 1176107054 /nfs/dbraw/zinc/10/70/54/1176107054.db2.gz UQNARKKMRIKVLB-CYBMUJFWSA-N 2 0 269.433 1.613 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CC[NH2+]Cc1cncs1 ZINC001699160096 1176117117 /nfs/dbraw/zinc/11/71/17/1176117117.db2.gz QAXTXFWCVMOYKF-GFCCVEGCSA-N 2 0 298.456 1.468 10 0 CDAERP C[C@H](C[NH2+]CCCF)NC(=O)C12CCC[NH+]1CCC2 ZINC001699368823 1176323605 /nfs/dbraw/zinc/32/36/05/1176323605.db2.gz BPBDRBIUGHTAOL-GFCCVEGCSA-N 2 0 271.380 1.069 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001700290582 1176835717 /nfs/dbraw/zinc/83/57/17/1176835717.db2.gz PIBGLJWNMMHCPM-ZDUSSCGKSA-N 2 0 269.433 1.563 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC2CC(C[NH2+]C/C=C/Cl)C2)C1 ZINC001700397828 1176904566 /nfs/dbraw/zinc/90/45/66/1176904566.db2.gz RDDZMSYJGDZMDG-URETYVPKSA-N 2 0 299.846 1.565 10 0 CDAERP CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001700468314 1176957053 /nfs/dbraw/zinc/95/70/53/1176957053.db2.gz YRJGYKZRQXMNQH-KBPBESRZSA-N 2 0 269.433 1.563 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CCCF ZINC001700780378 1177130172 /nfs/dbraw/zinc/13/01/72/1177130172.db2.gz KZCQVUKGYPAOBV-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP CCCC[NH2+]C[C@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001700941778 1177203355 /nfs/dbraw/zinc/20/33/55/1177203355.db2.gz ZZTWHGVEUYJMAB-LSDHHAIUSA-N 2 0 293.455 1.757 10 0 CDAERP CC(C)OC[C@H](O)C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000218760470 1177888400 /nfs/dbraw/zinc/88/84/00/1177888400.db2.gz RHWPZBLUZYZSNF-ZIAGYGMSSA-N 2 0 258.406 1.092 10 0 CDAERP CC(C)(C(=O)NC[C@H]1C[C@H]([NH2+]CCCF)C1)[NH+]1CCCC1 ZINC001707085659 1177946103 /nfs/dbraw/zinc/94/61/03/1177946103.db2.gz VPENRMQZILQZLZ-HDJSIYSDSA-N 2 0 299.434 1.705 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)CC1CC1 ZINC001707380131 1178007160 /nfs/dbraw/zinc/00/71/60/1178007160.db2.gz SYFIEGICTLMABT-OAHLLOKOSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@@H](C(=O)NCCC[N@H+](C)Cc1conc1C)[NH+](C)C ZINC001707407236 1178025498 /nfs/dbraw/zinc/02/54/98/1178025498.db2.gz GZVJIJUXCSCIMO-AWEZNQCLSA-N 2 0 296.415 1.261 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]CCCO ZINC001707434992 1178041661 /nfs/dbraw/zinc/04/16/61/1178041661.db2.gz MVFVQBVYECCBMM-CABCVRRESA-N 2 0 299.459 1.068 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000230711176 1178157185 /nfs/dbraw/zinc/15/71/85/1178157185.db2.gz OEZBRZXPBPSSBV-STQMWFEESA-N 2 0 255.406 1.304 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000234223855 1178215157 /nfs/dbraw/zinc/21/51/57/1178215157.db2.gz HZWCCVJXFLOFPV-LBPRGKRZSA-N 2 0 255.406 1.175 10 0 CDAERP Cc1c(C(=O)NCCC[N@H+](C)CCF)ccc2c[nH+]cn21 ZINC001712956328 1178264051 /nfs/dbraw/zinc/26/40/51/1178264051.db2.gz CHHCYGLUMFJNHM-UHFFFAOYSA-N 2 0 292.358 1.664 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC2)C1 ZINC001713204702 1178429194 /nfs/dbraw/zinc/42/91/94/1178429194.db2.gz DYSGPELJQQHYHE-OKILXGFUSA-N 2 0 267.417 1.365 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CCCOC)[NH+](C)C ZINC001713252758 1178454194 /nfs/dbraw/zinc/45/41/94/1178454194.db2.gz GKRYLEJPVUSNTP-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP CC[NH2+]CCN(C)C(=O)c1sccc1C[NH+](C)C ZINC001713596646 1178674612 /nfs/dbraw/zinc/67/46/12/1178674612.db2.gz BYMZSZYZKMYZHH-UHFFFAOYSA-N 2 0 269.414 1.491 10 0 CDAERP CC1CC(C[NH+]2CC(NC(=O)CCCC[NH+](C)C)C2)C1 ZINC001713851972 1178791892 /nfs/dbraw/zinc/79/18/92/1178791892.db2.gz FCYIJQULXBDSBB-UHFFFAOYSA-N 2 0 281.444 1.565 10 0 CDAERP CC/C=C\CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001713883437 1178813374 /nfs/dbraw/zinc/81/33/74/1178813374.db2.gz BXYKDDMZZSVELE-KSLSASGISA-N 2 0 293.455 1.779 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCC(C)C)C1 ZINC001713933636 1178860003 /nfs/dbraw/zinc/86/00/03/1178860003.db2.gz OOLXQEGZRGEEBR-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)OCCC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001714017804 1178930862 /nfs/dbraw/zinc/93/08/62/1178930862.db2.gz FWBQGSHWUBIZGW-GASCZTMLSA-N 2 0 297.443 1.134 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001714154394 1178989780 /nfs/dbraw/zinc/98/97/80/1178989780.db2.gz UTQGUWWYZFXPCN-ZIAGYGMSSA-N 2 0 269.433 1.563 10 0 CDAERP CCC[NH2+]CCC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001714280839 1179064715 /nfs/dbraw/zinc/06/47/15/1179064715.db2.gz LWKQDOGZPHDFOJ-UHFFFAOYSA-N 2 0 269.433 1.566 10 0 CDAERP CC(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001714343835 1179096038 /nfs/dbraw/zinc/09/60/38/1179096038.db2.gz XLJDBAHRYWNGCE-LSDHHAIUSA-N 2 0 281.444 1.565 10 0 CDAERP CCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001714397791 1179123058 /nfs/dbraw/zinc/12/30/58/1179123058.db2.gz RMQBQLHIUZBPAY-KBPBESRZSA-N 2 0 269.433 1.613 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1CC=C(C)C ZINC001714617990 1179272994 /nfs/dbraw/zinc/27/29/94/1179272994.db2.gz JXFASBLFNDYNDE-OAHLLOKOSA-N 2 0 281.444 1.875 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]CCF)C1CCCCC1 ZINC001714976623 1179486699 /nfs/dbraw/zinc/48/66/99/1179486699.db2.gz FDQFJTDQJPGKCH-CQSZACIVSA-N 2 0 287.423 1.562 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C[NH2+]C/C=C/Cl ZINC001715232043 1179588643 /nfs/dbraw/zinc/58/86/43/1179588643.db2.gz OPAVCOKLLWNEIZ-KONDZAJESA-N 2 0 299.846 1.423 10 0 CDAERP CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001715405006 1179658070 /nfs/dbraw/zinc/65/80/70/1179658070.db2.gz VEFUTBJSBYNJLY-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP COCC[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001715455200 1179671274 /nfs/dbraw/zinc/67/12/74/1179671274.db2.gz LDIACPZMCXYITQ-HNNXBMFYSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)CC[NH2+]C/C=C\CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001715817373 1179843130 /nfs/dbraw/zinc/84/31/30/1179843130.db2.gz KWNOBXDWAMMLNX-MJSXRHKHSA-N 2 0 293.455 1.636 10 0 CDAERP CC(C)=CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001716139561 1180068744 /nfs/dbraw/zinc/06/87/44/1180068744.db2.gz COGICJJBRRSMJO-ZBFHGGJFSA-N 2 0 293.455 1.779 10 0 CDAERP C[C@H](CC[NH2+]Cc1ccon1)NC(=O)C1CC[NH+](C)CC1 ZINC001716170438 1180081643 /nfs/dbraw/zinc/08/16/43/1180081643.db2.gz JVURVJGJALMQLU-GFCCVEGCSA-N 2 0 294.399 1.001 10 0 CDAERP C[C@H](C[NH2+]Cc1ccccc1)NC(=O)CC[NH+](C)C ZINC001716410586 1180192418 /nfs/dbraw/zinc/19/24/18/1180192418.db2.gz BNEUZWZHGOOSSJ-CYBMUJFWSA-N 2 0 263.385 1.233 10 0 CDAERP C[C@@H](C[N@H+](C)CCCCCF)NC(=O)[C@@H]1CCC[NH+]1C ZINC001716472357 1180233846 /nfs/dbraw/zinc/23/38/46/1180233846.db2.gz LRSISZZHZOXCKF-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CC[NH2+]CC[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001717111092 1180532832 /nfs/dbraw/zinc/53/28/32/1180532832.db2.gz LRMLEELBLVNXEU-HNNXBMFYSA-N 2 0 281.444 1.711 10 0 CDAERP CC(C)=CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001717699069 1180795361 /nfs/dbraw/zinc/79/53/61/1180795361.db2.gz YUWASRIVTMENLF-INIZCTEOSA-N 2 0 293.455 1.970 10 0 CDAERP CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001717756239 1180833229 /nfs/dbraw/zinc/83/32/29/1180833229.db2.gz CMLBSWURZIFRSJ-QWHCGFSZSA-N 2 0 255.406 1.317 10 0 CDAERP CC[C@H](F)C[NH2+]CCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001723022906 1181510962 /nfs/dbraw/zinc/51/09/62/1181510962.db2.gz MCUUWDFJACSPEC-LSDHHAIUSA-N 2 0 299.434 1.514 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001723451103 1181566066 /nfs/dbraw/zinc/56/60/66/1181566066.db2.gz NYEPQUAGYPDHSM-IYKSTZQJSA-N 2 0 293.455 1.875 10 0 CDAERP CCCCC[NH+]1CC(N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001723812480 1181605499 /nfs/dbraw/zinc/60/54/99/1181605499.db2.gz FECSGKWTADMBIK-UHFFFAOYSA-N 2 0 269.433 1.661 10 0 CDAERP CCOCCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001724999167 1181820101 /nfs/dbraw/zinc/82/01/01/1181820101.db2.gz RTZJHZBZJKKGDI-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP CCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001725621566 1182074663 /nfs/dbraw/zinc/07/46/63/1182074663.db2.gz KZEROTMWTYDVPK-HRCADAONSA-N 2 0 295.471 1.955 10 0 CDAERP CC1CC(C[N@H+](C)CCCNC(=O)CC[NH+](C)C)C1 ZINC001731263308 1182281835 /nfs/dbraw/zinc/28/18/35/1182281835.db2.gz XJXWEHDWWVKXIG-UHFFFAOYSA-N 2 0 269.433 1.422 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001731319089 1182314019 /nfs/dbraw/zinc/31/40/19/1182314019.db2.gz AMJCSGDBCBWUDY-HUUCEWRRSA-N 2 0 281.444 1.851 10 0 CDAERP CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001731557558 1182448186 /nfs/dbraw/zinc/44/81/86/1182448186.db2.gz GNUXYJJEQJEJOR-UONOGXRCSA-N 2 0 267.417 1.319 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001731831722 1182611680 /nfs/dbraw/zinc/61/16/80/1182611680.db2.gz TWWBTJQDICDODP-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP CC[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001731918751 1182677892 /nfs/dbraw/zinc/67/78/92/1182677892.db2.gz YGAZCDUZYXMHSZ-AWEZNQCLSA-N 2 0 267.417 1.461 10 0 CDAERP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)C[NH2+]C/C=C\Cl ZINC001732357282 1182924443 /nfs/dbraw/zinc/92/44/43/1182924443.db2.gz RQQSOLQYWPGHSI-DJFZKKHWSA-N 2 0 287.835 1.423 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001732495876 1182990108 /nfs/dbraw/zinc/99/01/08/1182990108.db2.gz OQNRGQFANSPDKM-CABCVRRESA-N 2 0 293.455 1.709 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1CC[NH2+]CCF ZINC001732516694 1182994909 /nfs/dbraw/zinc/99/49/09/1182994909.db2.gz IARNYEAOFXEXCB-CQSZACIVSA-N 2 0 287.423 1.659 10 0 CDAERP O=C(NC/C=C/C[NH2+]CC1CC1)C12CCC[NH+](CCC1)C2 ZINC001732866304 1183163930 /nfs/dbraw/zinc/16/39/30/1183163930.db2.gz SJOSIAVBROXQGV-OWOJBTEDSA-N 2 0 291.439 1.534 10 0 CDAERP CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001733039136 1183257038 /nfs/dbraw/zinc/25/70/38/1183257038.db2.gz SWZZAOHTKGJLLD-OLZOCXBDSA-N 2 0 255.406 1.316 10 0 CDAERP CCOCC[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001733058540 1183270040 /nfs/dbraw/zinc/27/00/40/1183270040.db2.gz LRQAFXRRYRSYKP-HNNXBMFYSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001733342411 1183403507 /nfs/dbraw/zinc/40/35/07/1183403507.db2.gz XBBZZKADFMLUNG-GJZGRUSLSA-N 2 0 281.444 1.850 10 0 CDAERP CCC[NH+]1CCC(C)(CNC(=O)CC[NH+](C)C)CC1 ZINC001733451829 1183436000 /nfs/dbraw/zinc/43/60/00/1183436000.db2.gz RWHGYDBXECPPAU-UHFFFAOYSA-N 2 0 269.433 1.566 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC(C[NH2+]CCF)C1 ZINC001733949017 1183580010 /nfs/dbraw/zinc/58/00/10/1183580010.db2.gz DCTRSCJEMGNIBC-JXQTWKCFSA-N 2 0 285.407 1.315 10 0 CDAERP O=C(N[C@H]1C[C@H](C[NH2+]CCF)C1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001734210535 1183692003 /nfs/dbraw/zinc/69/20/03/1183692003.db2.gz MBXZXFWOQUMTOZ-ZQDZILKHSA-N 2 0 297.418 1.457 10 0 CDAERP C[C@@H](CCC[NH2+]CC1CC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001734236951 1183701277 /nfs/dbraw/zinc/70/12/77/1183701277.db2.gz GKYZSXXHTGXKRM-GZBFAFLISA-N 2 0 281.444 1.611 10 0 CDAERP C[C@H](c1ncccn1)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923441463 697669415 /nfs/dbraw/zinc/66/94/15/697669415.db2.gz LPEWAPVVLJZNLX-CHWSQXEVSA-N 2 0 276.384 1.367 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000926665103 697671470 /nfs/dbraw/zinc/67/14/70/697671470.db2.gz BJEJPSIYNIDIDG-FZKCQIBNSA-N 2 0 265.445 1.933 10 0 CDAERP C(C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)OC1CCOCC1 ZINC000709934148 697689383 /nfs/dbraw/zinc/68/93/83/697689383.db2.gz JKPRTCKUEQLXIW-HNNXBMFYSA-N 2 0 268.401 1.258 10 0 CDAERP CCC[N@@H+]1CC[C@H](N[C@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925707702 697694009 /nfs/dbraw/zinc/69/40/09/697694009.db2.gz QNWZOOPUNDQNAQ-IHRRRGAJSA-N 2 0 253.434 1.966 10 0 CDAERP CC(C)[C@@H]1COCC[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000926255780 697733430 /nfs/dbraw/zinc/73/34/30/697733430.db2.gz UAVMXJXGAJYBGD-UONOGXRCSA-N 2 0 258.406 1.215 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)[C@H]1CC1(C)C ZINC000925853516 697805032 /nfs/dbraw/zinc/80/50/32/697805032.db2.gz ZLFHODAHAIYWKW-RWMBFGLXSA-N 2 0 280.412 1.696 10 0 CDAERP CS[C@H]1C[C@H]([NH2+]C[C@H](O)CN(C)Cc2ccccc2)C1 ZINC000872224426 697823956 /nfs/dbraw/zinc/82/39/56/697823956.db2.gz DFGIUMHDDPJCBV-JYJNAYRXSA-N 2 0 294.464 1.963 10 0 CDAERP Clc1cccc2c1CC[C@@H]2N1CC[NH2+]CC[NH2+]CC1 ZINC000923460935 697856847 /nfs/dbraw/zinc/85/68/47/697856847.db2.gz YBGCRGURZIFYDF-HNNXBMFYSA-N 2 0 279.815 1.822 10 0 CDAERP C[NH+](C)C1(CNC(=O)CCC23CC(C2)C[NH2+]3)CCCCC1 ZINC000870915353 697898446 /nfs/dbraw/zinc/89/84/46/697898446.db2.gz HYPHYOIYJYEYDU-UHFFFAOYSA-N 2 0 293.455 1.899 10 0 CDAERP [NH3+]Cc1ccc2c(c1)CCCN2C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000841848570 697929179 /nfs/dbraw/zinc/92/91/79/697929179.db2.gz MQAFHYKWHLDBIH-OAHLLOKOSA-N 2 0 277.343 1.126 10 0 CDAERP C[NH2+]C[C@@H]1CCC[N@H+](CCc2ccc(C(N)=O)cc2)C1 ZINC000866661464 697947079 /nfs/dbraw/zinc/94/70/79/697947079.db2.gz JGXXFGPBTGUIAI-AWEZNQCLSA-N 2 0 275.396 1.259 10 0 CDAERP CCO[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)C1 ZINC000926695797 697968056 /nfs/dbraw/zinc/96/80/56/697968056.db2.gz YTSPZNKHYRGIFF-ZFNDRPHDSA-N 2 0 282.428 1.785 10 0 CDAERP C[N@H+](CCN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C1CCCCC1 ZINC000925482737 697975542 /nfs/dbraw/zinc/97/55/42/697975542.db2.gz UCKJQCFPIZBNGG-GMBUGEKQSA-N 2 0 277.456 1.837 10 0 CDAERP C[NH+]1CCC(CCO)(NCc2ccnn2C2CCC2)CC1 ZINC000922212666 697982326 /nfs/dbraw/zinc/98/23/26/697982326.db2.gz SNQHTCSFTHCQSX-UHFFFAOYSA-N 2 0 292.427 1.545 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCNC(=O)c2ccco2)C1 ZINC000925519554 698046458 /nfs/dbraw/zinc/04/64/58/698046458.db2.gz SSYNRUIVBJZDQE-RYUDHWBXSA-N 2 0 279.384 1.505 10 0 CDAERP CC1(C)C[C@@H]([NH2+]C[C@@H](O)COCC2CC2)C[C@@H]([NH3+])C1 ZINC000925616769 698054920 /nfs/dbraw/zinc/05/49/20/698054920.db2.gz NVQWUJWXYURPMD-HZSPNIEDSA-N 2 0 270.417 1.270 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000713053615 698079336 /nfs/dbraw/zinc/07/93/36/698079336.db2.gz WKQJIRZDROFUIO-AWEZNQCLSA-N 2 0 281.444 1.739 10 0 CDAERP COCC(COC)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000395414394 698083368 /nfs/dbraw/zinc/08/33/68/698083368.db2.gz WULKDWWXVVFYEG-TZMCWYRMSA-N 2 0 256.390 1.112 10 0 CDAERP C[NH+](C)CC[C@H](N[C@@H]1CCC[C@@H]1[NH3+])c1cccnc1 ZINC000925826770 698084334 /nfs/dbraw/zinc/08/43/34/698084334.db2.gz JLFYYQIXRVENGX-SOUVJXGZSA-N 2 0 262.401 1.544 10 0 CDAERP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@@H](O)CC(C)(C)O)C1 ZINC000872201313 698088036 /nfs/dbraw/zinc/08/80/36/698088036.db2.gz VZVUEJAIKPGETJ-GJZGRUSLSA-N 2 0 286.460 1.610 10 0 CDAERP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1(C)CC(F)(F)C1 ZINC000925733546 698100954 /nfs/dbraw/zinc/10/09/54/698100954.db2.gz JLLPWCORKBWSMC-HBNTYKKESA-N 2 0 262.344 1.764 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)Nc2cccc3c2CC[NH2+]C3)C1 ZINC000870936258 698212085 /nfs/dbraw/zinc/21/20/85/698212085.db2.gz FHYBJXKFNXHCQJ-HWWQOWPSSA-N 2 0 271.364 1.398 10 0 CDAERP CC1(C)[C@H]([NH2+]CCOCC(F)(F)F)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925578426 698228162 /nfs/dbraw/zinc/22/81/62/698228162.db2.gz CXEBTUSHIYRERL-OUAUKWLOSA-N 2 0 280.334 1.932 10 0 CDAERP c1nc2ccccn2c1CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000843117397 698228875 /nfs/dbraw/zinc/22/88/75/698228875.db2.gz PHSZRHNHFOBJQS-INIZCTEOSA-N 2 0 270.380 1.910 10 0 CDAERP c1[nH+]cn2ccc(-c3noc(C[C@H]4CCC[NH2+]4)n3)cc12 ZINC000843226521 698269509 /nfs/dbraw/zinc/26/95/09/698269509.db2.gz ANFOKLXNQJOZRG-LLVKDONJSA-N 2 0 269.308 1.679 10 0 CDAERP C(CC[NH2+][C@H]1CC[NH2+]C12CCCC2)CCN1CC[NH2+]CC1 ZINC000925842899 698297280 /nfs/dbraw/zinc/29/72/80/698297280.db2.gz OKBFAMUQFXVHGM-INIZCTEOSA-N 3 0 294.487 1.326 10 0 CDAERP CCC[N@@H+]1CC[C@H](C[NH2+]C2[C@@H](C)COC[C@@H]2C)C1 ZINC000924753845 698300786 /nfs/dbraw/zinc/30/07/86/698300786.db2.gz QOIORPQGNQFWCE-MELADBBJSA-N 2 0 254.418 1.979 10 0 CDAERP CON1CC[C@H](N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1=O ZINC000930061964 698313412 /nfs/dbraw/zinc/31/34/12/698313412.db2.gz WHXPZNSWWYNALP-YUELXQCFSA-N 2 0 293.411 1.097 10 0 CDAERP C[C@@H](CCc1cccnc1)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000866244398 698327103 /nfs/dbraw/zinc/32/71/03/698327103.db2.gz NJLFZEXXISLUKE-HOCLYGCPSA-N 2 0 277.412 1.449 10 0 CDAERP CCO[C@H](C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1)C1CC1 ZINC000931441962 698327514 /nfs/dbraw/zinc/32/75/14/698327514.db2.gz SLGNZFDEDUPKJV-RRFJBIMHSA-N 2 0 252.402 1.685 10 0 CDAERP CC(C)OCC[C@H](O)C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000923415185 698328149 /nfs/dbraw/zinc/32/81/49/698328149.db2.gz OYZZHIXWLFCLJV-HOCLYGCPSA-N 2 0 286.460 1.859 10 0 CDAERP CC(C)C[C@H](CCO)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925525802 698329290 /nfs/dbraw/zinc/32/92/90/698329290.db2.gz FJXPAQXFNQUKEP-KBPBESRZSA-N 2 0 254.418 1.905 10 0 CDAERP C[C@@H]1COC[C@@H](C)C1[NH2+]C[C@H]1CCCN1CCCO ZINC000926501305 698335163 /nfs/dbraw/zinc/33/51/63/698335163.db2.gz JNUGYKQQPZRLRI-MGPQQGTHSA-N 2 0 270.417 1.094 10 0 CDAERP C(CN1CC[NH2+]CCC12CCC2)OC[C@@H]1CCCO1 ZINC000713137507 698346517 /nfs/dbraw/zinc/34/65/17/698346517.db2.gz XYFHFYFSDXJLDJ-AWEZNQCLSA-N 2 0 268.401 1.400 10 0 CDAERP C[C@H]1CN(C(=[NH2+])NCC[NH+]2CCCCCC2)CCO1 ZINC000848987746 698362662 /nfs/dbraw/zinc/36/26/62/698362662.db2.gz XPNFVKCCPRKVHY-ZDUSSCGKSA-N 2 0 268.405 1.107 10 0 CDAERP C[C@@H](Cc1cccs1)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925809982 698470004 /nfs/dbraw/zinc/47/00/04/698470004.db2.gz MBTBHAVRNOKAFG-LBPRGKRZSA-N 2 0 267.442 1.692 10 0 CDAERP C[NH+]1CCC(N2CC[C@H]([NH2+]CC3(O)CCCCC3)C2)CC1 ZINC000819052708 698510093 /nfs/dbraw/zinc/51/00/93/698510093.db2.gz CGUYUDIWHGLSRQ-HNNXBMFYSA-N 2 0 295.471 1.440 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)[C@@H]2CC23CC[NH2+]CC3)C1 ZINC000870992047 698520838 /nfs/dbraw/zinc/52/08/38/698520838.db2.gz HVGDOBJAQGULHH-GUYCJALGSA-N 2 0 293.455 1.600 10 0 CDAERP COc1ccc([C@H]2C[NH2+]CCN2CCC[NH2+]C2CC2)cc1 ZINC000923422977 698587809 /nfs/dbraw/zinc/58/78/09/698587809.db2.gz OYHCYEVFBPVEFI-QGZVFWFLSA-N 2 0 289.423 1.784 10 0 CDAERP C[N@H+](CCCn1ccnc1)C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844314053 698657343 /nfs/dbraw/zinc/65/73/43/698657343.db2.gz PKEKQDRURUBEIM-ZDUSSCGKSA-N 2 0 278.356 1.188 10 0 CDAERP C[C@H](CCc1cccnc1)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000866264299 698681429 /nfs/dbraw/zinc/68/14/29/698681429.db2.gz XWXNAMQMSAXBDE-CVEARBPZSA-N 2 0 290.455 1.628 10 0 CDAERP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CNOC2)CC1 ZINC000925862510 698781447 /nfs/dbraw/zinc/78/14/47/698781447.db2.gz SGYKQVRTKBSQIZ-AQFXKWCLSA-N 2 0 289.423 1.923 10 0 CDAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CO[C@H](C)[C@@H]1C ZINC000926199171 698783050 /nfs/dbraw/zinc/78/30/50/698783050.db2.gz CHWKSVGCZGXQCG-LXTVHRRPSA-N 2 0 269.433 1.025 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000861602596 698816779 /nfs/dbraw/zinc/81/67/79/698816779.db2.gz LBUCZEPPXWNRLJ-XDQVBPFNSA-N 2 0 282.432 1.299 10 0 CDAERP COCC(COC)[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714488873 698833493 /nfs/dbraw/zinc/83/34/93/698833493.db2.gz ZTBQGYKXVJMCFX-UHFFFAOYSA-N 2 0 258.406 1.345 10 0 CDAERP C[NH+](C)CCCC1CC[NH+](CN2CCOC2=S)CC1 ZINC000160032529 698850783 /nfs/dbraw/zinc/85/07/83/698850783.db2.gz PCVFXQJDARGKHE-UHFFFAOYSA-N 2 0 285.457 1.615 10 0 CDAERP Cc1ccc([C@H](O)C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923493299 698853286 /nfs/dbraw/zinc/85/32/86/698853286.db2.gz RSLOPYHLXZSRSA-VNQPRFMTSA-N 2 0 262.397 1.945 10 0 CDAERP CC[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)[C@H]1CCCOC1 ZINC000872035521 698857789 /nfs/dbraw/zinc/85/77/89/698857789.db2.gz WIWWSCGSVFKXBN-DLBZAZTESA-N 2 0 297.487 1.809 10 0 CDAERP CC(C)OC[C@H](O)C[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714468931 698861625 /nfs/dbraw/zinc/86/16/25/698861625.db2.gz QGHVLWQOBUXZRD-CQSZACIVSA-N 2 0 272.433 1.469 10 0 CDAERP [NH3+]CCCCCC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000852905981 698886858 /nfs/dbraw/zinc/88/68/58/698886858.db2.gz KFNRJAUECZKPTJ-HZPDHXFCSA-N 2 0 289.423 1.767 10 0 CDAERP CC1(C)CC[C@@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925845407 698938352 /nfs/dbraw/zinc/93/83/52/698938352.db2.gz GREICQRLOHNGRZ-AWEZNQCLSA-N 2 0 253.434 1.840 10 0 CDAERP CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923497189 698965355 /nfs/dbraw/zinc/96/53/55/698965355.db2.gz GVTHYHZEVXZPGD-AGIUHOORSA-N 2 0 255.406 1.208 10 0 CDAERP CC1CCC(NC(=O)C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)CC1 ZINC000923504714 698975261 /nfs/dbraw/zinc/97/52/61/698975261.db2.gz UILIIQNVRKTNDH-GQKFXUNGSA-N 2 0 281.444 1.598 10 0 CDAERP C[C@@H](CCCc1cccnc1)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925817087 698985549 /nfs/dbraw/zinc/98/55/49/698985549.db2.gz MWPUJEQEBQQIBT-HNNXBMFYSA-N 2 0 290.455 1.806 10 0 CDAERP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cccnc2-n2ccnc2)C1 ZINC000848715374 699001659 /nfs/dbraw/zinc/00/16/59/699001659.db2.gz XLPDJOAXFUILAT-KBPBESRZSA-N 2 0 271.368 1.627 10 0 CDAERP C[C@H](CN[C@H]1CC[NH2+]C12CCC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000925545666 699005082 /nfs/dbraw/zinc/00/50/82/699005082.db2.gz BLXBVFFJVLHVLQ-KFWWJZLASA-N 2 0 265.445 1.981 10 0 CDAERP C[N@H+]1CC=C(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925633629 704810418 /nfs/dbraw/zinc/81/04/18/704810418.db2.gz FNPLPOYWOHKWFY-UONOGXRCSA-N 3 0 251.418 1.744 10 0 CDAERP C([C@@H]1C[C@@H]2COC[C@H]2O1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000929689648 704828275 /nfs/dbraw/zinc/82/82/75/704828275.db2.gz ZXHIUXSJBQKFSA-LTIDMASMSA-N 2 0 294.439 1.741 10 0 CDAERP C[C@H]1CCC[N@@H+]1CCN[C@H]1CC[NH2+]C12CCCC2 ZINC000925624372 704832000 /nfs/dbraw/zinc/83/20/00/704832000.db2.gz WNZLVTPHJFKJFB-KBPBESRZSA-N 2 0 251.418 1.735 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCCCCN2CC[NH2+]CC2)C1 ZINC000925844083 704832020 /nfs/dbraw/zinc/83/20/20/704832020.db2.gz VNKUYAKJELDLCZ-HOTGVXAUSA-N 3 0 296.503 1.558 10 0 CDAERP C[NH+](C)CCC1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261976353 704888335 /nfs/dbraw/zinc/88/83/35/704888335.db2.gz ISFSKJPNNBJBAI-HNNXBMFYSA-N 3 0 253.434 1.650 10 0 CDAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2C2CC2)C[C@H]1C[NH+](C)C ZINC000870018178 704894472 /nfs/dbraw/zinc/89/44/72/704894472.db2.gz XMLFOFCGFVOJOV-FPCVCCKLSA-N 2 0 293.455 1.230 10 0 CDAERP C[NH+](C)CC1(O)CC[NH+](CC[C@@H]2C[C@H]2C2CC2)CC1 ZINC000715493744 704941442 /nfs/dbraw/zinc/94/14/42/704941442.db2.gz QQNVRPSBKVXQGL-CABCVRRESA-N 2 0 266.429 1.811 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@@H]1CCCOC1 ZINC000926747827 704950508 /nfs/dbraw/zinc/95/05/08/704950508.db2.gz PVJKPGRMCYIWCG-RDGKXADDSA-N 2 0 252.402 1.733 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cccc3[nH]c(=O)oc32)C1 ZINC000922224249 704959652 /nfs/dbraw/zinc/95/96/52/704959652.db2.gz KJTUYHYSBQRKBC-KLPPZKSPSA-N 2 0 275.352 1.963 10 0 CDAERP CN(C)[C@H](CC[NH2+][C@H]1CCCC[C@@H]1C[NH3+])C(F)(F)F ZINC000925838512 705012340 /nfs/dbraw/zinc/01/23/40/705012340.db2.gz YGKUIRBCFJWOMM-GRYCIOLGSA-N 2 0 281.366 1.976 10 0 CDAERP [NH3+]C[C@H]1CCCc2ccc(C(=O)NC[C@H]3C[C@H]([NH3+])C3)cc21 ZINC000870972533 705048038 /nfs/dbraw/zinc/04/80/38/705048038.db2.gz JYONIVVQWUQAQZ-KCPJHIHWSA-N 2 0 287.407 1.532 10 0 CDAERP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925513714 705067035 /nfs/dbraw/zinc/06/70/35/705067035.db2.gz ALGDAFHZOCJHQN-NZVBXONLSA-N 2 0 276.428 1.827 10 0 CDAERP CC[NH+]1CCC(NC(=O)CN[C@H](C)c2ccns2)CC1 ZINC000860051070 705077436 /nfs/dbraw/zinc/07/74/36/705077436.db2.gz CZTJLOHZHKJYMF-LLVKDONJSA-N 2 0 296.440 1.394 10 0 CDAERP CCCN(CCC)C(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923499675 705235091 /nfs/dbraw/zinc/23/50/91/705235091.db2.gz NCFYOWPCEZHDHB-UONOGXRCSA-N 2 0 269.433 1.552 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)N2CC[C@@]3(C2)CCC[NH+](C)C3)CC[N@@H+]1C ZINC000925333592 705297403 /nfs/dbraw/zinc/29/74/03/705297403.db2.gz CPRWDGHQHJDQHJ-YCPHGPKFSA-N 2 0 294.443 1.206 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC001635814671 1166625550 /nfs/dbraw/zinc/62/55/50/1166625550.db2.gz MACUFAUIWXBNBZ-BZPMIXESSA-N 2 0 267.417 1.173 10 0 CDAERP CCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001275039707 1166654717 /nfs/dbraw/zinc/65/47/17/1166654717.db2.gz WPSWMLWYKJAPHC-OLZOCXBDSA-N 2 0 255.406 1.365 10 0 CDAERP CCCC[NH2+]CC1CC(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001275310185 1166665655 /nfs/dbraw/zinc/66/56/55/1166665655.db2.gz DGOFGLPUFUOYQW-RUXDESIVSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N(C)CC[NH+]2CCCC2)CC[N@@H+]1C ZINC000354298264 1167336430 /nfs/dbraw/zinc/33/64/30/1167336430.db2.gz SLNFRAWWFAIHCI-KBPBESRZSA-N 2 0 267.417 1.271 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)CC[NH2+]Cc1ccns1)[NH+](C)C ZINC001317599172 1167460405 /nfs/dbraw/zinc/46/04/05/1167460405.db2.gz XKTUQZRHNVBZHJ-ZDUSSCGKSA-N 2 0 298.456 1.277 10 0 CDAERP Cc1nc(C[NH2+]CCCN(C)C(=O)CC[NH+](C)C)oc1C ZINC001569235699 1167554811 /nfs/dbraw/zinc/55/48/11/1167554811.db2.gz COAYWOADZDDYRF-UHFFFAOYSA-N 2 0 296.415 1.181 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]([NH3+])CC1CC1 ZINC000310776737 848084195 /nfs/dbraw/zinc/08/41/95/848084195.db2.gz VXVJPVFYXYSEIQ-OLZOCXBDSA-N 2 0 255.406 1.206 10 0 CDAERP C[NH+](C)CC1(C(=O)NC2CC([NH+](C)C)C2)CCCCC1 ZINC000857228233 848136081 /nfs/dbraw/zinc/13/60/81/848136081.db2.gz GMZFRXRPDNGNKL-UHFFFAOYSA-N 2 0 281.444 1.707 10 0 CDAERP c1cn2c(n1)C[C@@H]([NH2+][C@@H]1CCCc3cn[nH]c31)CC2 ZINC000857867101 848167374 /nfs/dbraw/zinc/16/73/74/848167374.db2.gz WGNIKOYQUWIXIB-NWDGAFQWSA-N 2 0 257.341 1.588 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)N1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000868369876 848168920 /nfs/dbraw/zinc/16/89/20/848168920.db2.gz IUGYWMHGSUYOFO-HUUCEWRRSA-N 2 0 296.459 1.454 10 0 CDAERP C[NH+](C)C1(C)CCC([NH2+][C@H]2CCCS(=O)(=O)C2)CC1 ZINC000715543949 848201234 /nfs/dbraw/zinc/20/12/34/848201234.db2.gz PDVPAGIMARDKEU-MOKVOYLWSA-N 2 0 288.457 1.416 10 0 CDAERP C[C@H]([NH2+]CCOC(F)(F)C(F)(F)F)C1C[NH2+]C1 ZINC000720228157 848235359 /nfs/dbraw/zinc/23/53/59/848235359.db2.gz CJVLEQZRLIBYTG-LURJTMIESA-N 2 0 262.222 1.356 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)[C@@H](C)C1 ZINC000926946408 848256848 /nfs/dbraw/zinc/25/68/48/848256848.db2.gz UKDQFAFITKYXHZ-AICCOOGYSA-N 2 0 268.401 1.110 10 0 CDAERP COC(=O)/C(C)=C/CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000394277799 848279403 /nfs/dbraw/zinc/27/94/03/848279403.db2.gz QIOIHLBXMYOYRY-KZKWKOHOSA-N 2 0 266.385 1.663 10 0 CDAERP C/C=C(/C)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870020487 848282585 /nfs/dbraw/zinc/28/25/85/848282585.db2.gz RARFHPLYDYFJBD-PISUUVGWSA-N 2 0 267.417 1.150 10 0 CDAERP C1C[NH2+][C@H]([C@@H]2COCC[C@@H]2[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)C1 ZINC000873238671 848295025 /nfs/dbraw/zinc/29/50/25/848295025.db2.gz DTZHAUIPKOTISG-SBIMIMEHSA-N 2 0 292.423 1.157 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000813507660 848323403 /nfs/dbraw/zinc/32/34/03/848323403.db2.gz QFDPXLJBYWXJPF-OAHLLOKOSA-N 2 0 287.423 1.609 10 0 CDAERP C[C@H](CNC(=O)C=C1CC[NH2+]CC1)C[NH+]1CCCCC1 ZINC000852861233 848334654 /nfs/dbraw/zinc/33/46/54/848334654.db2.gz RGRSPPHWBQFIDG-CQSZACIVSA-N 2 0 279.428 1.534 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000870994773 848376717 /nfs/dbraw/zinc/37/67/17/848376717.db2.gz UZEQLUNDPSKWCU-SWLSCSKDSA-N 2 0 267.417 1.337 10 0 CDAERP C[C@@H]1C[N@H+](Cc2cc(CO)ccc2F)CC[C@H]1C[NH3+] ZINC000923489846 848410000 /nfs/dbraw/zinc/41/00/00/848410000.db2.gz MDTOSMJGTMVPSX-YPMHNXCESA-N 2 0 266.360 1.735 10 0 CDAERP C[N@@H+]1CC[C@@H]2CN(C(=O)CCCCC[NH3+])CC[C@@H]21 ZINC000870981765 848495777 /nfs/dbraw/zinc/49/57/77/848495777.db2.gz JYQCHQBARJCVJQ-OLZOCXBDSA-N 2 0 253.390 1.058 10 0 CDAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@H]3COc4ccccc4O3)C[C@@H]12 ZINC000312615477 848501378 /nfs/dbraw/zinc/50/13/78/848501378.db2.gz AKFUHGWSYWAPAS-XJFOESAGSA-N 2 0 274.364 1.496 10 0 CDAERP CCCNC(=O)CC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925496597 848525158 /nfs/dbraw/zinc/52/51/58/848525158.db2.gz WTHSFOACWYCYBW-VXGBXAGGSA-N 2 0 255.406 1.398 10 0 CDAERP OCCC1(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925645240 848572303 /nfs/dbraw/zinc/57/23/03/848572303.db2.gz PBGZWZCDBKAQOA-LSDHHAIUSA-N 2 0 266.429 1.907 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCNC(=O)c2ccccc2)C1 ZINC000925570449 848588304 /nfs/dbraw/zinc/58/83/04/848588304.db2.gz AKLJOPLWWVPYLC-HUUCEWRRSA-N 2 0 289.423 1.912 10 0 CDAERP Cc1ncsc1CC[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923452425 848631128 /nfs/dbraw/zinc/63/11/28/848631128.db2.gz UWOAIVQSNCRVMQ-CYBMUJFWSA-N 2 0 295.452 1.824 10 0 CDAERP C[N@@H+]1CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CCC1(C)C ZINC000712670321 848631887 /nfs/dbraw/zinc/63/18/87/848631887.db2.gz HRGIEFPAISQBJD-VXGBXAGGSA-N 2 0 253.390 1.057 10 0 CDAERP C[C@H](CC(=O)N1CCC([NH+](C)C)CC1)C1CC[NH2+]CC1 ZINC000237519971 848635425 /nfs/dbraw/zinc/63/54/25/848635425.db2.gz IONFBFJWMDJGJZ-CYBMUJFWSA-N 2 0 281.444 1.565 10 0 CDAERP C[NH+]1CCC2(CC1)C[N@H+](C[C@H]1CCC=CO1)CCO2 ZINC000843432302 848637463 /nfs/dbraw/zinc/63/74/63/848637463.db2.gz VNJMANSRMKOBPG-CQSZACIVSA-N 2 0 266.385 1.476 10 0 CDAERP O=C([C@@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1)N1CCCC1 ZINC000923315268 848651539 /nfs/dbraw/zinc/65/15/39/848651539.db2.gz DXBKMPANECMQAS-CQSZACIVSA-N 2 0 279.428 1.463 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)/C=C\[C@@H]1CCC[NH2+]C1)C2 ZINC000872263517 848693119 /nfs/dbraw/zinc/69/31/19/848693119.db2.gz FZLJGECOWZKDDE-JYICPLSMSA-N 2 0 277.412 1.000 10 0 CDAERP COC[C@H](CC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)OC ZINC000925714806 848760582 /nfs/dbraw/zinc/76/05/82/848760582.db2.gz WZFOHIBIKPBFHO-CRWXNKLISA-N 2 0 270.417 1.404 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(C(=O)C=C2CC[NH2+]CC2)C1 ZINC000852858364 848762671 /nfs/dbraw/zinc/76/26/71/848762671.db2.gz ZZGKFVKZXXEVDN-AWEZNQCLSA-N 2 0 265.401 1.239 10 0 CDAERP CC[C@H]1CCN(C(=[NH2+])NCCC[NH+]2CCC(O)CC2)C1 ZINC000864452237 848764221 /nfs/dbraw/zinc/76/42/21/848764221.db2.gz LXOIOVXRQKZTEK-ZDUSSCGKSA-N 2 0 282.432 1.089 10 0 CDAERP C[C@@H]1CN(Cc2nc(CC3CC3)no2)CC[C@H]1C[NH3+] ZINC000923490704 848769924 /nfs/dbraw/zinc/76/99/24/848769924.db2.gz OSYLSKRJHZJEKP-PWSUYJOCSA-N 2 0 264.373 1.439 10 0 CDAERP C(C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)O[C@@H]1CCOC1 ZINC000724947290 848888962 /nfs/dbraw/zinc/88/89/62/848888962.db2.gz CEODVOVHMJHRNT-HZPDHXFCSA-N 2 0 282.428 1.504 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1cccc(C[NH3+])c1 ZINC000251855099 848890410 /nfs/dbraw/zinc/89/04/10/848890410.db2.gz RWDCZTYNBBEIQP-CJNGLKHVSA-N 2 0 287.407 1.844 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCC[NH+]3CCSC[C@@H]23)C1 ZINC000928080895 848978339 /nfs/dbraw/zinc/97/83/39/848978339.db2.gz RANQGBYUSJDROM-MCIONIFRSA-N 2 0 297.468 1.024 10 0 CDAERP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@H](O)C2CC2)C1 ZINC000818959665 848983832 /nfs/dbraw/zinc/98/38/32/848983832.db2.gz QFDRXLBTFCONKC-HIFRSBDPSA-N 2 0 254.418 1.859 10 0 CDAERP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CC[NH2+]C23CCC3)C[C@@H](C)O1 ZINC000925570897 848997669 /nfs/dbraw/zinc/99/76/69/848997669.db2.gz YSTLTNHRAQMHGR-BZUAXINKSA-N 3 0 295.471 1.750 10 0 CDAERP CC(C)(O)C[N@@H+]1CC[C@H](N[C@@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000865660533 849003434 /nfs/dbraw/zinc/00/34/34/849003434.db2.gz UNZVFCMENXHUTK-ILXRZTDVSA-N 2 0 281.444 1.048 10 0 CDAERP Cc1noc(C2CCC([NH2+][C@@H]3C[NH2+]C[C@H]3C)CC2)n1 ZINC000925786698 849022173 /nfs/dbraw/zinc/02/21/73/849022173.db2.gz USHKYMCLWHZOHC-SARFZWSYSA-N 2 0 264.373 1.602 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925882574 849055906 /nfs/dbraw/zinc/05/59/06/849055906.db2.gz QYPMCYJKVSNLMG-QSPRXWTASA-N 3 0 273.424 1.763 10 0 CDAERP C[C@@H]1[C@H](NC(=O)NC2CC[NH+](C3CCC3)CC2)CC[N@@H+]1C ZINC000922768691 849063311 /nfs/dbraw/zinc/06/33/11/849063311.db2.gz KWJDDHTYBLYUEL-IUODEOHRSA-N 2 0 294.443 1.395 10 0 CDAERP C[N@@H+]1CCN(CC[NH+]2CCCC2)C[C@@H]1C(C)(C)C ZINC000930883332 849064138 /nfs/dbraw/zinc/06/41/38/849064138.db2.gz QVMYPFJYHCTRGD-CQSZACIVSA-N 2 0 253.434 1.744 10 0 CDAERP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925790412 849128259 /nfs/dbraw/zinc/12/82/59/849128259.db2.gz IIJCIYKAJGXPNV-ILXRZTDVSA-N 2 0 289.423 1.873 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCOC[C@H]1CCCO1 ZINC000924584972 849218148 /nfs/dbraw/zinc/21/81/48/849218148.db2.gz JQTLWTRTEDUYRJ-IUOOZAAYSA-N 2 0 282.428 1.502 10 0 CDAERP COC(CC[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)OC ZINC000851795971 849290796 /nfs/dbraw/zinc/29/07/96/849290796.db2.gz QNDGKXLZXKXTJW-AWEZNQCLSA-N 2 0 270.417 1.659 10 0 CDAERP O=C(CC[C@@H]1CCC[NH2+]1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000335681806 849293322 /nfs/dbraw/zinc/29/33/22/849293322.db2.gz XFWVXXAPVPPUJW-ZFWWWQNUSA-N 2 0 265.401 1.121 10 0 CDAERP CC(C)(C)[NH2+]CCC(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000705421073 849337047 /nfs/dbraw/zinc/33/70/47/849337047.db2.gz SYODFIYDLLYEGG-LBPRGKRZSA-N 2 0 253.390 1.071 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=[NH2+])NC[C@@H]2CCCO2)C1 ZINC000848988100 849349343 /nfs/dbraw/zinc/34/93/43/849349343.db2.gz FRHBSTHFZIRVCV-ZNMIVQPWSA-N 2 0 296.459 1.647 10 0 CDAERP COc1cccc([C@]2(C)CC[N@@H+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)C2)c1 ZINC000923389959 849385181 /nfs/dbraw/zinc/38/51/81/849385181.db2.gz QXMQVOZPDNDOHK-QSPRXWTASA-N 2 0 290.407 1.509 10 0 CDAERP CC1(C)C[C@@H]([NH2+]CCCOC[C@H]2CCOC2)C[C@@H]([NH3+])C1 ZINC000925523868 849441862 /nfs/dbraw/zinc/44/18/62/849441862.db2.gz VRBUOEKQTJTHDA-KFWWJZLASA-N 2 0 284.444 1.925 10 0 CDAERP COC1CC[NH+](CCNC(=[NH2+])NC2CCCCC2)CC1 ZINC000079925848 849445663 /nfs/dbraw/zinc/44/56/63/849445663.db2.gz ZDCXBHMUFBPCMC-UHFFFAOYSA-N 2 0 282.432 1.334 10 0 CDAERP C[C@H](CN[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C[NH+](C)C ZINC000926475680 849477882 /nfs/dbraw/zinc/47/78/82/849477882.db2.gz VJZLKTYTIHZHTA-RBSFLKMASA-N 2 0 253.434 1.791 10 0 CDAERP CN(CC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)CC(F)F ZINC000925724554 849496506 /nfs/dbraw/zinc/49/65/06/849496506.db2.gz KQBDJVGWAQPVPF-KGYLQXTDSA-N 2 0 275.387 1.550 10 0 CDAERP CN(C)c1cc[nH+]cc1CN[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000865660254 849532659 /nfs/dbraw/zinc/53/26/59/849532659.db2.gz RDOZZYHWCKNEQP-AWEZNQCLSA-N 2 0 292.427 1.082 10 0 CDAERP C[C@@H]1CCC[N@H+](CCO[C@H]2CCOC2)[C@@H]1CC[NH3+] ZINC000724943509 849639462 /nfs/dbraw/zinc/63/94/62/849639462.db2.gz PBNNBXZCNIABSL-HZSPNIEDSA-N 2 0 256.390 1.241 10 0 CDAERP CC[NH+](CC)[C@H](CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)CC(C)C ZINC000870903145 849668154 /nfs/dbraw/zinc/66/81/54/849668154.db2.gz SPSIYKKZDWKFJW-AESZEHBQSA-N 2 0 295.471 1.987 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000866706970 849677134 /nfs/dbraw/zinc/67/71/34/849677134.db2.gz GKMAAZBXIRKXNV-WFASDCNBSA-N 2 0 277.416 1.462 10 0 CDAERP CC(=O)NCC1CCC([NH2+]CCCC[NH+](C)C)CC1 ZINC000865435245 849748455 /nfs/dbraw/zinc/74/84/55/849748455.db2.gz FAAOGMCTWQPKOT-UHFFFAOYSA-N 2 0 269.433 1.613 10 0 CDAERP C[NH+](C)CCCC[NH2+]Cc1nc(Br)c[nH]1 ZINC000309128720 849834269 /nfs/dbraw/zinc/83/42/69/849834269.db2.gz XFORLGDTNYQTAP-UHFFFAOYSA-N 2 0 275.194 1.604 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)C(C)(C)[C@H]([NH3+])C(C)C ZINC000713026675 849928926 /nfs/dbraw/zinc/92/89/26/849928926.db2.gz ZGYLGLJBHDPAKR-CHWSQXEVSA-N 2 0 271.449 1.842 10 0 CDAERP CN(CCC[NH+](C)C)CCNC(=O)/C=C/c1cccnc1 ZINC000855416291 850004786 /nfs/dbraw/zinc/00/47/86/850004786.db2.gz JESWFLRWZIXHJX-BQYQJAHWSA-N 2 0 290.411 1.095 10 0 CDAERP c1csc(C2([NH2+]C[C@H]3CC4(C[NH2+]C4)CO3)CCCC2)n1 ZINC000923326295 850006655 /nfs/dbraw/zinc/00/66/55/850006655.db2.gz KFPHHDAYBPFTKV-GFCCVEGCSA-N 2 0 293.436 1.881 10 0 CDAERP CC(C)C[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923501814 850070274 /nfs/dbraw/zinc/07/02/74/850070274.db2.gz VWYUESGGQGOKDA-QLFBSQMISA-N 2 0 283.460 1.796 10 0 CDAERP Cc1cc([C@H]([NH3+])CC(=O)NCC2([NH3+])CCC2)cc(Cl)n1 ZINC000841849972 850073661 /nfs/dbraw/zinc/07/36/61/850073661.db2.gz RULNXPUCUXOARG-LLVKDONJSA-N 2 0 296.802 1.431 10 0 CDAERP C[NH+](C)[C@@H]1[C@H]2CN([C@@H]3CC[N@H+](Cc4ccccc4)C3)C[C@H]21 ZINC000931278079 850126992 /nfs/dbraw/zinc/12/69/92/850126992.db2.gz WYLBNKUAZIYYAO-BDXSIMOUSA-N 2 0 285.435 1.753 10 0 CDAERP CC[C@@](O)(CN1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1)C(F)(F)F ZINC000931319861 850133577 /nfs/dbraw/zinc/13/35/77/850133577.db2.gz ZNCLSTSOIXFYKO-FRRDWIJNSA-N 2 0 294.361 1.963 10 0 CDAERP C[NH+]1CCN(CCC[NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)CC1 ZINC000711116973 850154922 /nfs/dbraw/zinc/15/49/22/850154922.db2.gz DOUSSSCDGSYKPV-ZSHCYNCHSA-N 2 0 265.445 1.792 10 0 CDAERP [NH3+]CCCCCC(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000843498472 850165178 /nfs/dbraw/zinc/16/51/78/850165178.db2.gz OZFHMIAOVLAZLJ-UONOGXRCSA-N 2 0 267.417 1.496 10 0 CDAERP CCCCOC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C ZINC000720483617 850166724 /nfs/dbraw/zinc/16/67/24/850166724.db2.gz WOWGFLPWTNDIPN-ILXRZTDVSA-N 2 0 270.417 1.333 10 0 CDAERP C([C@H]1CCC2(CCC2)O1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000712372617 850216170 /nfs/dbraw/zinc/21/61/70/850216170.db2.gz FJFDKPWQEKYJTD-BFHYXJOUSA-N 2 0 250.386 1.629 10 0 CDAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CCOCC(F)(F)F)CC2 ZINC000923450891 850237214 /nfs/dbraw/zinc/23/72/14/850237214.db2.gz YACZDGPJWPXSJD-LLVKDONJSA-N 2 0 296.333 1.395 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000713049402 850274019 /nfs/dbraw/zinc/27/40/19/850274019.db2.gz HASCNXYTHBRNRI-RDBSUJKOSA-N 2 0 281.444 1.739 10 0 CDAERP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923368339 850291527 /nfs/dbraw/zinc/29/15/27/850291527.db2.gz ATRDWSQRAJBHPS-DKUMPPAJSA-N 3 0 265.445 1.885 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC1(COC)CC1 ZINC000849045047 850369297 /nfs/dbraw/zinc/36/92/97/850369297.db2.gz AVLNYMSQGPIBFW-CYBMUJFWSA-N 2 0 282.432 1.401 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC000925670951 850398519 /nfs/dbraw/zinc/39/85/19/850398519.db2.gz BEBUTYVTNIIUOV-YNEHKIRRSA-N 2 0 288.457 1.307 10 0 CDAERP C[N@@H+]1C[C@@H]2C[NH+](CCc3ccc(C(N)=O)cc3)C[C@]2(C)C1 ZINC000933733782 850416496 /nfs/dbraw/zinc/41/64/96/850416496.db2.gz IIEAQAKAVUIAHB-WBVHZDCISA-N 2 0 287.407 1.212 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccnc(-c3ccccn3)n2)C1 ZINC000925761631 850460650 /nfs/dbraw/zinc/46/06/50/850460650.db2.gz DBEVHUCREZNTDU-CHWSQXEVSA-N 2 0 283.379 1.898 10 0 CDAERP CC1(C)[C@H](O)CC[NH+]1CCC[N@H+]1CC[C@H](O)C1(C)C ZINC000812866218 850479300 /nfs/dbraw/zinc/47/93/00/850479300.db2.gz ZNVNFKAUHFFBFA-BETUJISGSA-N 2 0 270.417 1.067 10 0 CDAERP CC[N@@H+](C/C=C\Cl)CCCNC(=O)C[NH+]1CCCC1 ZINC001566574949 1168342751 /nfs/dbraw/zinc/34/27/51/1168342751.db2.gz OTRNOIJYOFDRGQ-ALCCZGGFSA-N 2 0 287.835 1.663 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001566809897 1168430520 /nfs/dbraw/zinc/43/05/20/1168430520.db2.gz XUEHMOKZFXYVMJ-MGPQQGTHSA-N 2 0 269.433 1.611 10 0 CDAERP CCCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001567021020 1168515120 /nfs/dbraw/zinc/51/51/20/1168515120.db2.gz DRPJQIYGHYUQMH-UONOGXRCSA-N 2 0 269.433 1.755 10 0 CDAERP CCC/C=C/CC[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001567319037 1168676938 /nfs/dbraw/zinc/67/69/38/1168676938.db2.gz XJGWCPNFWIVHMT-LQYUOIDQSA-N 2 0 281.444 1.733 10 0 CDAERP CC(C)=CC[NH+]1CC[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001567404235 1168735852 /nfs/dbraw/zinc/73/58/52/1168735852.db2.gz VNNFZAXAFCNDRN-OAHLLOKOSA-N 2 0 293.455 1.875 10 0 CDAERP CCOCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001266453369 894952501 /nfs/dbraw/zinc/95/25/01/894952501.db2.gz DOLJLLBIRNOUTC-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP C[C@H](F)CC[NH2+]CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001266702230 895862070 /nfs/dbraw/zinc/86/20/70/895862070.db2.gz UJOQIWPRCVAZTH-JSGCOSHPSA-N 2 0 285.407 1.124 10 0 CDAERP CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001266844352 896172059 /nfs/dbraw/zinc/17/20/59/896172059.db2.gz JPKIHTXPVNXHCI-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)CC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001567585244 1168874436 /nfs/dbraw/zinc/87/44/36/1168874436.db2.gz GWUGPWBOFFJHAL-OAGGEKHMSA-N 2 0 295.471 1.812 10 0 CDAERP CC[C@H](C)C[NH2+]CCN(C)C(=O)C[NH+]1CCCC1 ZINC001267469069 898067692 /nfs/dbraw/zinc/06/76/92/898067692.db2.gz GUIRCJVULOWUJJ-ZDUSSCGKSA-N 2 0 255.406 1.176 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001267962979 900091898 /nfs/dbraw/zinc/09/18/98/900091898.db2.gz DBWXLBQBCCJGNR-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CCF ZINC001268098208 901280473 /nfs/dbraw/zinc/28/04/73/901280473.db2.gz OESKCKMVXBRBMD-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001268162245 901458037 /nfs/dbraw/zinc/45/80/37/901458037.db2.gz JSNCFPAXUPHDPZ-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@H]2CCC[C@H]2C[NH2+]CCF)CCC1 ZINC001268283656 901742238 /nfs/dbraw/zinc/74/22/38/901742238.db2.gz ZTNIBKLSTRXUFV-STQMWFEESA-N 2 0 285.407 1.315 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CCF)CCC1 ZINC001268283647 901742776 /nfs/dbraw/zinc/74/27/76/901742776.db2.gz ZTNIBKLSTRXUFV-CHWSQXEVSA-N 2 0 285.407 1.315 10 0 CDAERP CC[C@H](C(=O)N(CC)CC[NH2+]Cc1cccnc1)[NH+](C)C ZINC001268458834 902171591 /nfs/dbraw/zinc/17/15/91/902171591.db2.gz SXJUGYVSMJJVPT-OAHLLOKOSA-N 2 0 292.427 1.360 10 0 CDAERP CC[C@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+]CC[C@@H](C)F ZINC001481828729 902186817 /nfs/dbraw/zinc/18/68/17/902186817.db2.gz GMPFRYAZRGSOTR-ZIAGYGMSSA-N 2 0 299.434 1.847 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccsc1 ZINC001481875315 902247843 /nfs/dbraw/zinc/24/78/43/902247843.db2.gz NCGMNAUFBXBANM-UONOGXRCSA-N 2 0 295.452 1.684 10 0 CDAERP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cnoc1C ZINC001481879366 902263116 /nfs/dbraw/zinc/26/31/16/902263116.db2.gz QUGKWDIAHGYRIN-CQSZACIVSA-N 2 0 294.399 1.063 10 0 CDAERP CCC[NH2+]C[C@](C)(NC(=O)[C@H](C)Cc1c[nH]cn1)C1CC1 ZINC001481943563 902387561 /nfs/dbraw/zinc/38/75/61/902387561.db2.gz IVAKHUDSWVCIIA-WBMJQRKESA-N 2 0 292.427 1.873 10 0 CDAERP CCCCC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268543350 902539823 /nfs/dbraw/zinc/53/98/23/902539823.db2.gz WUWWCSLGQCKIKJ-AZJURWTESA-N 2 0 281.444 1.779 10 0 CDAERP CCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001482119361 902660003 /nfs/dbraw/zinc/66/00/03/902660003.db2.gz XDJJXLJGWDJMQI-GJZGRUSLSA-N 2 0 283.460 1.859 10 0 CDAERP CN(CCC[NH2+]C[C@@H]1CCCCO1)C(=O)C[NH+]1CCCC1 ZINC001498656347 902929727 /nfs/dbraw/zinc/92/97/27/902929727.db2.gz YUXIJKXMTBAFIY-HNNXBMFYSA-N 2 0 297.443 1.089 10 0 CDAERP CCCC[NH2+]C[C@H](NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001269109189 903431913 /nfs/dbraw/zinc/43/19/13/903431913.db2.gz FSTIFLOVIVRVTA-HNNXBMFYSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)[NH2+]C[C@H](C)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001482296477 904722206 /nfs/dbraw/zinc/72/22/06/904722206.db2.gz JZUOXLLPLBIVSI-UONOGXRCSA-N 2 0 269.433 1.706 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CCF)C1CCCCC1 ZINC001482408219 905312556 /nfs/dbraw/zinc/31/25/56/905312556.db2.gz LFZZRJRAKVUVPV-HUUCEWRRSA-N 2 0 299.434 1.705 10 0 CDAERP C[C@H](C[NH2+]CCC(C)(C)C)N(C)C(=O)CC[NH+](C)C ZINC001271090866 905636349 /nfs/dbraw/zinc/63/63/49/905636349.db2.gz BUMKFJWBSXOWHU-CYBMUJFWSA-N 2 0 271.449 1.811 10 0 CDAERP CC(C)CCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001482899928 908465387 /nfs/dbraw/zinc/46/53/87/908465387.db2.gz YOVOTBQXIANIIY-CABCVRRESA-N 2 0 283.460 1.859 10 0 CDAERP CCN(CC[NH2+]CCCC(C)C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001482913560 908486659 /nfs/dbraw/zinc/48/66/59/908486659.db2.gz AJAQVICOHMVECQ-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001483135691 909778633 /nfs/dbraw/zinc/77/86/33/909778633.db2.gz NTVNHKFCVJNYEY-NEPJUHHUSA-N 2 0 273.396 1.313 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001483161412 909885893 /nfs/dbraw/zinc/88/58/93/909885893.db2.gz HKHIUYMTRSHXIF-QWHCGFSZSA-N 2 0 269.433 1.469 10 0 CDAERP C[C@@H](C[NH2+]CCC(F)(F)F)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001483214785 910084959 /nfs/dbraw/zinc/08/49/59/910084959.db2.gz JIQIDZRBKBLZTD-VHSXEESVSA-N 2 0 281.322 1.127 10 0 CDAERP C[C@@H](CC[NH2+]CCCF)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001273017635 921565008 /nfs/dbraw/zinc/56/50/08/921565008.db2.gz CNSHYBAEOXSJHY-OLZOCXBDSA-N 2 0 273.396 1.172 10 0 CDAERP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccns1 ZINC001425538187 910343564 /nfs/dbraw/zinc/34/35/64/910343564.db2.gz BUGQQANXTQETMD-YPMHNXCESA-N 2 0 296.440 1.174 10 0 CDAERP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H]1CC(=O)N(CC3CC3)C1)[NH2+]2 ZINC000716764822 910685398 /nfs/dbraw/zinc/68/53/98/910685398.db2.gz HEGKFFYQVOYGGN-BGNCJLHMSA-N 2 0 277.412 1.116 10 0 CDAERP CC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001409752578 910685563 /nfs/dbraw/zinc/68/55/63/910685563.db2.gz FFXKHOZVVBGMSV-CVEARBPZSA-N 2 0 295.471 1.811 10 0 CDAERP COCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001568108447 1169138962 /nfs/dbraw/zinc/13/89/62/1169138962.db2.gz MZSKTFJMFKVTRQ-RBSFLKMASA-N 2 0 297.443 1.134 10 0 CDAERP CCC[N@@H+]1CC[C@](C)(NC(=O)CCCC[NH+](C)C)C1 ZINC001484068137 915378762 /nfs/dbraw/zinc/37/87/62/915378762.db2.gz POHDADIRQMRJPB-HNNXBMFYSA-N 2 0 269.433 1.709 10 0 CDAERP CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCC[NH+](C)C ZINC001484462714 915789877 /nfs/dbraw/zinc/78/98/77/915789877.db2.gz DHTMKHLMMQHKOL-LSDHHAIUSA-N 2 0 281.444 1.804 10 0 CDAERP CC(C)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001272688820 916061386 /nfs/dbraw/zinc/06/13/86/916061386.db2.gz RYQNVIJNQWDUKU-STQMWFEESA-N 2 0 255.406 1.221 10 0 CDAERP CC[C@@H](C(=O)NCC[C@H](C)[NH2+]CC=C(C)C)[NH+](C)C ZINC001485001598 916367289 /nfs/dbraw/zinc/36/72/89/916367289.db2.gz XHXMBSYNGSOXBB-KBPBESRZSA-N 2 0 269.433 1.777 10 0 CDAERP CCOCC[NH2+][C@H](C)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001485167340 916603462 /nfs/dbraw/zinc/60/34/62/916603462.db2.gz VQRASJKAVPFGBC-KGLIPLIRSA-N 2 0 297.443 1.134 10 0 CDAERP C[C@@H](NC(=O)CC1CC[NH+](C)CC1)[C@@H](C)[NH2+]CCCF ZINC001485198410 916641346 /nfs/dbraw/zinc/64/13/46/916641346.db2.gz HZQFCXYJEQYAJC-CHWSQXEVSA-N 2 0 287.423 1.561 10 0 CDAERP C[C@@H]([NH2+]Cc1ccccc1F)[C@H](C)NC(=O)CC[NH+](C)C ZINC001485188550 916648562 /nfs/dbraw/zinc/64/85/62/916648562.db2.gz MNUYHTLOEKBSFI-OLZOCXBDSA-N 2 0 295.402 1.760 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)[NH2+]CCc1ccns1 ZINC001485191213 916651957 /nfs/dbraw/zinc/65/19/57/916651957.db2.gz UEWRHBRMIPHWJA-VXGBXAGGSA-N 2 0 298.456 1.120 10 0 CDAERP C[C@H](NC(=O)CC[NH+]1CCCCC1)[C@H](C)[NH2+]CCF ZINC001485231217 916686050 /nfs/dbraw/zinc/68/60/50/916686050.db2.gz ZVEWNQMPEIGMQA-STQMWFEESA-N 2 0 273.396 1.315 10 0 CDAERP CC[C@@H](C)C[N@H+](C)[C@@H](C)CNC(=O)Cn1ccnc1 ZINC001485393757 916928528 /nfs/dbraw/zinc/92/85/28/916928528.db2.gz CYCDLZYJWMEVAC-OLZOCXBDSA-N 2 0 266.389 1.366 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)C(C)C ZINC001485390210 916941668 /nfs/dbraw/zinc/94/16/68/916941668.db2.gz XVNOSPVSBZYTHV-ZIAGYGMSSA-N 2 0 269.433 1.706 10 0 CDAERP CCC[N@@H+]1CCO[C@]2(CCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001485557585 917086929 /nfs/dbraw/zinc/08/69/29/917086929.db2.gz DLKCJTKULFUIMU-MRXNPFEDSA-N 2 0 297.443 1.042 10 0 CDAERP CC(C)[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001485577715 917107597 /nfs/dbraw/zinc/10/75/97/917107597.db2.gz QISVUXSBIPOJIP-CYBMUJFWSA-N 2 0 281.444 1.563 10 0 CDAERP CCC[NH2+]C[C@@H](C)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001568279773 1169220007 /nfs/dbraw/zinc/22/00/07/1169220007.db2.gz SDRSVPKQZUVCRG-KGLIPLIRSA-N 2 0 269.433 1.707 10 0 CDAERP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1[N@H+](CC1CCC1)CC2 ZINC001486145740 920752836 /nfs/dbraw/zinc/75/28/36/920752836.db2.gz FVWNBEYARTVOEN-WBVHZDCISA-N 2 0 293.455 1.851 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@]12CCC[C@H]1[N@H+](CC1CCC1)CC2 ZINC001486145738 920753534 /nfs/dbraw/zinc/75/35/34/920753534.db2.gz FVWNBEYARTVOEN-NVXWUHKLSA-N 2 0 293.455 1.851 10 0 CDAERP CC[N@H+]1CC=C(CNC(=O)[C@H](C)Cc2c[nH]cn2)CC1 ZINC001486517402 921085740 /nfs/dbraw/zinc/08/57/40/921085740.db2.gz QGMCVLYEPPRQJQ-GFCCVEGCSA-N 2 0 276.384 1.357 10 0 CDAERP CC1CC[NH+](CC(=O)NC[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001413748276 936723895 /nfs/dbraw/zinc/72/38/95/936723895.db2.gz IVCKSBIKTIDEIE-HNNXBMFYSA-N 2 0 279.428 1.176 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC[C@@H](C)F)C1 ZINC001491080023 936851581 /nfs/dbraw/zinc/85/15/81/936851581.db2.gz IFBWBLJZFRQYEE-UPJWGTAASA-N 2 0 273.396 1.312 10 0 CDAERP CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CCO)[NH+](CC)CC ZINC001491265162 936886733 /nfs/dbraw/zinc/88/67/33/936886733.db2.gz XDTLYDMVUPOCSA-LSDHHAIUSA-N 2 0 299.459 1.070 10 0 CDAERP COCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+](C)C(C)C)C1 ZINC001491300023 936891540 /nfs/dbraw/zinc/89/15/40/936891540.db2.gz KZRWUEQZUJPTOX-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC001141934983 936956114 /nfs/dbraw/zinc/95/61/14/936956114.db2.gz GBMKBCPFUHYNKN-CYBMUJFWSA-N 2 0 267.417 1.128 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001410224064 925417561 /nfs/dbraw/zinc/41/75/61/925417561.db2.gz NNWQIWRHENEAGQ-AJNGGQMLSA-N 2 0 299.434 1.561 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001324175179 926665595 /nfs/dbraw/zinc/66/55/95/926665595.db2.gz LIDBZYGNDQRWAR-CYBMUJFWSA-N 2 0 267.417 1.461 10 0 CDAERP C[N@H+](CCF)CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001490221377 927031862 /nfs/dbraw/zinc/03/18/62/927031862.db2.gz DGVCEEACPIYDEP-UHFFFAOYSA-N 2 0 271.380 1.022 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001490270294 927070522 /nfs/dbraw/zinc/07/05/22/927070522.db2.gz LNFMNAQYPZEXNB-CYBMUJFWSA-N 2 0 285.407 1.268 10 0 CDAERP Cn1cc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)c(Cl)n1 ZINC000856765788 928622968 /nfs/dbraw/zinc/62/29/68/928622968.db2.gz NXPFMLAUXGYHSX-UHFFFAOYSA-N 2 0 299.850 1.189 10 0 CDAERP C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000864055091 929629204 /nfs/dbraw/zinc/62/92/04/929629204.db2.gz IAMAWJQZCDHCFI-IHRRRGAJSA-N 2 0 273.424 1.903 10 0 CDAERP CC(C)[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+](C(C)C)C1 ZINC001136192140 930763761 /nfs/dbraw/zinc/76/37/61/930763761.db2.gz PWBQNNMVYGXMPB-OAHLLOKOSA-N 2 0 283.460 1.953 10 0 CDAERP Cc1c(C(=O)NCCNc2cc[nH+]cc2)ccc2c[nH+]cn21 ZINC001116528298 937453511 /nfs/dbraw/zinc/45/35/11/937453511.db2.gz WEQUKCBOXMIUQA-UHFFFAOYSA-N 2 0 295.346 1.302 10 0 CDAERP Cc1cc(C[NH2+]C/C=C/CNC(=O)CC[NH+](C)C)cs1 ZINC001274331177 931491164 /nfs/dbraw/zinc/49/11/64/931491164.db2.gz IWJQBMGEFWYHEV-SNAWJCMRSA-N 2 0 295.452 1.770 10 0 CDAERP CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001274720442 931557949 /nfs/dbraw/zinc/55/79/49/931557949.db2.gz WFKRYRRPWIFECN-STQMWFEESA-N 2 0 255.406 1.364 10 0 CDAERP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]CC1CCCC1 ZINC001441932276 931751759 /nfs/dbraw/zinc/75/17/59/931751759.db2.gz DUFALRZVXLQCRZ-ZDUSSCGKSA-N 2 0 281.444 1.613 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CCF ZINC001275794806 932044875 /nfs/dbraw/zinc/04/48/75/932044875.db2.gz YPRURIYGAAASND-QWHCGFSZSA-N 2 0 273.396 1.172 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001412497012 932457000 /nfs/dbraw/zinc/45/70/00/932457000.db2.gz CZPWFFLDEXRDOQ-JKSUJKDBSA-N 2 0 293.455 1.659 10 0 CDAERP C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001412593844 932537748 /nfs/dbraw/zinc/53/77/48/932537748.db2.gz KJZPJFVWEOJMCQ-RBSFLKMASA-N 2 0 281.444 1.565 10 0 CDAERP [NH3+][C@@H]1CCCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC001118266356 937610272 /nfs/dbraw/zinc/61/02/72/937610272.db2.gz QFFKCZHKKUZCID-GZBFAFLISA-N 2 0 265.401 1.106 10 0 CDAERP CC[N@@H+]1CC[C@H]1C(=O)N(C)CC[C@H]1CCCC[NH+]1C ZINC001148164157 932659693 /nfs/dbraw/zinc/65/96/93/932659693.db2.gz FGAVFWHQKQNRIY-KGLIPLIRSA-N 2 0 267.417 1.413 10 0 CDAERP [NH3+][C@H](CN[C@H]1CC[NH2+]C[C@H]1C1CCCC1)C1CC1 ZINC000925697408 932928517 /nfs/dbraw/zinc/92/85/17/932928517.db2.gz FUMCXIGMZHYZHN-ZNMIVQPWSA-N 2 0 251.418 1.482 10 0 CDAERP CCO[C@H]1C[C@@H]([NH2+]CCN2CCC([NH3+])CC2)C12CCCC2 ZINC000925813611 932941776 /nfs/dbraw/zinc/94/17/76/932941776.db2.gz XMKFLLTVNJOWFL-CVEARBPZSA-N 2 0 295.471 1.737 10 0 CDAERP CC[C@H](C[C@](C)(O)CC)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000926202404 932974428 /nfs/dbraw/zinc/97/44/28/932974428.db2.gz LEUKGOFMGZFEDM-GVDBMIGSSA-N 2 0 299.503 1.932 10 0 CDAERP C[NH+](C)[C@H]1CCCN(C(=O)C2([NH+](C)C)CCCC2)CC1 ZINC001412829828 934597979 /nfs/dbraw/zinc/59/79/79/934597979.db2.gz NCFUEQKXFVDHCV-AWEZNQCLSA-N 2 0 281.444 1.804 10 0 CDAERP CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001413000712 935156185 /nfs/dbraw/zinc/15/61/85/935156185.db2.gz HRKDVNHOBFHWON-RRFJBIMHSA-N 2 0 281.444 1.659 10 0 CDAERP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC[NH2+]CC1 ZINC000400319007 940847135 /nfs/dbraw/zinc/84/71/35/940847135.db2.gz BAXHBGJORQVJAV-AEGPPILISA-N 3 0 251.418 1.591 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC1CC(C[NH2+]CCCF)C1 ZINC001282013322 942643422 /nfs/dbraw/zinc/64/34/22/942643422.db2.gz DGTRHRAPSYVLND-YMAMQOFZSA-N 2 0 299.434 1.705 10 0 CDAERP CN(CC(C)(C)C[NH2+]CCC1CC1)C(=O)Cn1ccnc1 ZINC001282346728 942692090 /nfs/dbraw/zinc/69/20/90/942692090.db2.gz UMDKNALVEIMZQD-UHFFFAOYSA-N 2 0 292.427 1.757 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001362132730 970925811 /nfs/dbraw/zinc/92/58/11/970925811.db2.gz VRPXOGUUVFVQKG-VRKREXBASA-N 2 0 293.455 1.706 10 0 CDAERP CCCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001284034916 943057155 /nfs/dbraw/zinc/05/71/55/943057155.db2.gz XBQULCJHDSYTIL-LSDHHAIUSA-N 2 0 281.444 1.851 10 0 CDAERP CC[NH+]1CCC([C@H](C)NC(=O)C[NH+]2CCCC2)CC1 ZINC001284732276 943249878 /nfs/dbraw/zinc/24/98/78/943249878.db2.gz ZASZWAFMAXGCTK-ZDUSSCGKSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)[NH2+]C1CC(N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001284818188 943262016 /nfs/dbraw/zinc/26/20/16/943262016.db2.gz AMMVIPOVBWWAMF-UHFFFAOYSA-N 2 0 255.406 1.314 10 0 CDAERP CC[NH+](CC)CC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001264011963 944063344 /nfs/dbraw/zinc/06/33/44/944063344.db2.gz COPDGDQAZWUNTN-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001264430580 944135214 /nfs/dbraw/zinc/13/52/14/944135214.db2.gz GMCYDDWAIGNDGV-MGPQQGTHSA-N 2 0 269.433 1.469 10 0 CDAERP CC[NH+](C)C[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001264744084 944173063 /nfs/dbraw/zinc/17/30/63/944173063.db2.gz IDOOEXHWHUAZNE-AWEZNQCLSA-N 2 0 269.433 1.661 10 0 CDAERP CCC[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001264986536 944194134 /nfs/dbraw/zinc/19/41/34/944194134.db2.gz OHWGOWHCZYURES-AWEZNQCLSA-N 2 0 269.433 1.707 10 0 CDAERP COCCCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001265290177 944323150 /nfs/dbraw/zinc/32/31/50/944323150.db2.gz KYKSOFDQNAACIB-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP CCC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001265360486 944358639 /nfs/dbraw/zinc/35/86/39/944358639.db2.gz MKMUAURYYBILSC-KGLIPLIRSA-N 2 0 267.417 1.365 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001265441405 944389489 /nfs/dbraw/zinc/38/94/89/944389489.db2.gz GCRMFNWHODTSBW-HZSPNIEDSA-N 2 0 267.417 1.317 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCCF)C1)[NH+]1CCCC1 ZINC001265509243 944413245 /nfs/dbraw/zinc/41/32/45/944413245.db2.gz WUZYIYKAZJSKJC-RBSFLKMASA-N 2 0 299.434 1.703 10 0 CDAERP CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001331346745 944525838 /nfs/dbraw/zinc/52/58/38/944525838.db2.gz KIDIQDFAUMIHTD-HUUCEWRRSA-N 2 0 283.460 1.809 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]CC1CCCC1 ZINC001265852935 944541197 /nfs/dbraw/zinc/54/11/97/944541197.db2.gz KHUXQNLSRDFWCK-CYBMUJFWSA-N 2 0 269.433 1.613 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001266042443 944651138 /nfs/dbraw/zinc/65/11/38/944651138.db2.gz BQQRKYQCJZIUQF-HNNXBMFYSA-N 2 0 281.444 1.565 10 0 CDAERP COC[C@H](C)[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001266125427 944698758 /nfs/dbraw/zinc/69/87/58/944698758.db2.gz AOKGKXNBYQSVHM-DZGCQCFKSA-N 2 0 297.443 1.086 10 0 CDAERP CC[C@H](C(=O)NCC[C@@H](C)[NH2+]CC1CCC1)[NH+](C)C ZINC001266155302 944720357 /nfs/dbraw/zinc/72/03/57/944720357.db2.gz LZDLBRICJWYHCC-TZMCWYRMSA-N 2 0 269.433 1.611 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC/C=C/C[NH2+]C/C=C\Cl)CC[N@@H+]1C ZINC001568853217 1169519183 /nfs/dbraw/zinc/51/91/83/1169519183.db2.gz CGAYGQBZZWUDLD-OYSUYVKUSA-N 2 0 299.846 1.731 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CNC(=O)CCC[NH+](C)C ZINC001491566069 946347947 /nfs/dbraw/zinc/34/79/47/946347947.db2.gz QNKANVXDWBPYFV-CYBMUJFWSA-N 2 0 255.406 1.389 10 0 CDAERP CC[C@H](C(=O)NCCC[N@H+](C)CC=C(C)C)[NH+](C)C ZINC001479778152 971413314 /nfs/dbraw/zinc/41/33/14/971413314.db2.gz NYUXCEXFWHXLJN-CQSZACIVSA-N 2 0 269.433 1.731 10 0 CDAERP CC[N@H+](C)CCN(C(=O)[C@@H]1CCC[NH+]1C)C(C)C ZINC001278898977 948133634 /nfs/dbraw/zinc/13/36/34/948133634.db2.gz CLNJYKNJGSTEOZ-ZDUSSCGKSA-N 2 0 255.406 1.269 10 0 CDAERP C[C@H]1CN(C(=O)CC[NH+]2CC[C@@H](F)C2)CC[N@@H+](C2CC2)C1 ZINC001362658372 971502915 /nfs/dbraw/zinc/50/29/15/971502915.db2.gz UHLSWEYVHHZSGP-ZIAGYGMSSA-N 2 0 297.418 1.363 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CC12CC[NH+](C/C=C\Cl)CC2 ZINC001479985662 971524602 /nfs/dbraw/zinc/52/46/02/971524602.db2.gz SVSBHTLRRMVHOV-QTEJZOKPSA-N 2 0 299.846 1.661 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC2CC(C)C2)C1 ZINC001480232892 971640258 /nfs/dbraw/zinc/64/02/58/971640258.db2.gz RWNUNMMBNZEVTR-ZMYVRHLSSA-N 2 0 281.444 1.611 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001480356282 971684635 /nfs/dbraw/zinc/68/46/35/971684635.db2.gz CSEQSCHOZVNNLH-LSDHHAIUSA-N 2 0 281.444 1.851 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001480365356 971689705 /nfs/dbraw/zinc/68/97/05/971689705.db2.gz DHGZTLGXPAJPLP-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001480591133 971798174 /nfs/dbraw/zinc/79/81/74/971798174.db2.gz BXYNTONKEROTEF-HUUCEWRRSA-N 2 0 297.443 1.015 10 0 CDAERP O=C(N[C@@H]1CCC[C@@H]([NH2+]CCCF)C1)C12CC[NH+](CC1)C2 ZINC001480708172 971844798 /nfs/dbraw/zinc/84/47/98/971844798.db2.gz OKCUWKAWKIWALY-ZIAGYGMSSA-N 2 0 297.418 1.459 10 0 CDAERP CO[C@H](C)C[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001364550138 954783396 /nfs/dbraw/zinc/78/33/96/954783396.db2.gz YCBZPDMFNWSANA-CQSZACIVSA-N 2 0 270.417 1.334 10 0 CDAERP CC[N@@H+]1CC[C@@H]1C(=O)N(C)CCC[NH+]1CCCC1 ZINC001297026330 954939242 /nfs/dbraw/zinc/93/92/42/954939242.db2.gz PTWVUQYEXAFYPA-CYBMUJFWSA-N 2 0 253.390 1.025 10 0 CDAERP CC[C@H](C)C[NH2+]CCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001569203055 1169719279 /nfs/dbraw/zinc/71/92/79/1169719279.db2.gz NYSIHDMCYMJHHQ-HOCLYGCPSA-N 2 0 295.471 1.812 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001491645958 955342236 /nfs/dbraw/zinc/34/22/36/955342236.db2.gz MPLRFEIYAAEQFR-UONOGXRCSA-N 2 0 269.433 1.633 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC1CC(F)(F)C1 ZINC001491673266 955382139 /nfs/dbraw/zinc/38/21/39/955382139.db2.gz LFHKVEBIJQJSGY-JQWIXIFHSA-N 2 0 289.370 1.078 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@@H](C[NH2+]CC2CC2)C1 ZINC001421564670 955407143 /nfs/dbraw/zinc/40/71/43/955407143.db2.gz WZYVZCBIBXWYHD-ZFWWWQNUSA-N 2 0 281.444 1.422 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCc1nc2c([nH]1)CCCC2 ZINC001364975541 955444678 /nfs/dbraw/zinc/44/46/78/955444678.db2.gz WLSHPRATPYCMOW-AWEZNQCLSA-N 2 0 290.411 1.778 10 0 CDAERP CC[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001491897668 955499303 /nfs/dbraw/zinc/49/93/03/955499303.db2.gz ZIYTZUCSECLGNC-OLZOCXBDSA-N 2 0 255.406 1.364 10 0 CDAERP CCCC[NH2+]CC1CC(NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001328879259 955531869 /nfs/dbraw/zinc/53/18/69/955531869.db2.gz CSEHTRJAWMIFGX-UHFFFAOYSA-N 2 0 293.455 1.899 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH+](C)CC2CC2)CC[N@@H+]1C ZINC001421863817 955609268 /nfs/dbraw/zinc/60/92/68/955609268.db2.gz GVBWDUNTQLXZDW-JKSUJKDBSA-N 2 0 295.471 1.907 10 0 CDAERP CC[C@H](C)C[NH2+]CCN(C)C(=O)C[N@H+](C)C(C)C ZINC001493805896 972116947 /nfs/dbraw/zinc/11/69/47/972116947.db2.gz ALOHQHBBBICBHC-ZDUSSCGKSA-N 2 0 257.422 1.421 10 0 CDAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]Cc1ccsc1 ZINC001422061573 955723814 /nfs/dbraw/zinc/72/38/14/955723814.db2.gz LZXUBXOJVVOEIO-OCCSQVGLSA-N 2 0 295.452 1.636 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(C)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001422062231 955727288 /nfs/dbraw/zinc/72/72/88/955727288.db2.gz OMSDPSXZLMSNNQ-CYBMUJFWSA-N 2 0 287.423 1.657 10 0 CDAERP CC/C=C/CC[NH2+][C@H](C)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001329196978 955747785 /nfs/dbraw/zinc/74/77/85/955747785.db2.gz UDARCMOZQDFIDM-MUHKLVGJSA-N 2 0 281.444 1.921 10 0 CDAERP [NH3+]Cc1cccc2c1N(C[C@@H]1CCC[NH2+]C1)CCC2 ZINC001329223375 955761418 /nfs/dbraw/zinc/76/14/18/955761418.db2.gz TWUWPKVZYPTVST-CYBMUJFWSA-N 2 0 259.397 1.898 10 0 CDAERP Cc1cn(C(C)(C)C(=O)NCC[N@@H+](C)CCC2CC2)cn1 ZINC001492298724 955819964 /nfs/dbraw/zinc/81/99/64/955819964.db2.gz JJAWZHLBMPVYHR-UHFFFAOYSA-N 2 0 292.427 1.775 10 0 CDAERP CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001422240573 955881603 /nfs/dbraw/zinc/88/16/03/955881603.db2.gz GJJHIKRUJMKXLC-LSDHHAIUSA-N 2 0 281.444 1.519 10 0 CDAERP CC[C@@H](F)C[N@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001329533571 955974449 /nfs/dbraw/zinc/97/44/49/955974449.db2.gz XFUYGVLCNWPWFC-NWDGAFQWSA-N 2 0 261.385 1.123 10 0 CDAERP CCCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001329613620 956019665 /nfs/dbraw/zinc/01/96/65/956019665.db2.gz PQLBRYIZPZZEGF-QWHCGFSZSA-N 2 0 255.406 1.175 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@H]1C[NH+](C(C)C)CC1(C)C ZINC001422785073 956351542 /nfs/dbraw/zinc/35/15/42/956351542.db2.gz CVKBPJDDEKZQIM-AWEZNQCLSA-N 2 0 283.460 1.953 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2C[C@@H]([NH2+]C/C=C/Cl)C2)C1 ZINC001365821714 956387866 /nfs/dbraw/zinc/38/78/66/956387866.db2.gz DEYBDHFCEHYZKR-KKOAVUEBSA-N 2 0 299.846 1.565 10 0 CDAERP CCCN(C(=O)CC[NH+]1CC[C@H](F)C1)[C@H]1CC[N@H+](C)C1 ZINC001363460278 972184003 /nfs/dbraw/zinc/18/40/03/972184003.db2.gz WHTRDJRVPOJOOK-KBPBESRZSA-N 2 0 285.407 1.363 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001422906237 956442155 /nfs/dbraw/zinc/44/21/55/956442155.db2.gz GSFPYRINWHLRLI-FZKCQIBNSA-N 2 0 295.471 1.859 10 0 CDAERP C[C@@H](F)CC[NH+]1CCC2(C[C@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001366024501 956518279 /nfs/dbraw/zinc/51/82/79/956518279.db2.gz SFHKYDHUOQIKJP-ZIAGYGMSSA-N 2 0 299.434 1.657 10 0 CDAERP C[C@@H]1[C@H](C(=O)NC[C@@H]([NH2+]C/C=C\Cl)C2CC2)CC[N@@H+]1C ZINC001366031019 956524785 /nfs/dbraw/zinc/52/47/85/956524785.db2.gz HCJZIAITJLLYJK-GRKXEQQNSA-N 2 0 299.846 1.564 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001423110780 956593439 /nfs/dbraw/zinc/59/34/39/956593439.db2.gz JUWBDQPFKYBHKK-OCCSQVGLSA-N 2 0 285.407 1.409 10 0 CDAERP CC[C@@H](C)C[N@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001317490172 956686474 /nfs/dbraw/zinc/68/64/74/956686474.db2.gz NHZOCDNDMRUBCO-ZIAGYGMSSA-N 2 0 269.433 1.422 10 0 CDAERP C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]CC1CCC1 ZINC001366291461 956715936 /nfs/dbraw/zinc/71/59/36/956715936.db2.gz QBUCFYJLTOYTQD-UKRRQHHQSA-N 2 0 281.444 1.755 10 0 CDAERP CC1(C)CC(C[NH2+]C2(CNC(=O)C[NH+]3CCCC3)CC2)C1 ZINC001423302291 956716668 /nfs/dbraw/zinc/71/66/68/956716668.db2.gz JKJVJXYUZGHRPV-UHFFFAOYSA-N 2 0 293.455 1.757 10 0 CDAERP CCCC[N@H+](C)CCN(C(=O)[C@@H]1CC[NH+](C)C1)C(C)C ZINC001423579635 956872378 /nfs/dbraw/zinc/87/23/78/956872378.db2.gz MXEGRIOYYIXTNO-OAHLLOKOSA-N 2 0 283.460 1.907 10 0 CDAERP CC[C@H](F)C[N@H+](CC)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001366617095 957042236 /nfs/dbraw/zinc/04/22/36/957042236.db2.gz XFQWLGOOJSYUBW-GJZGRUSLSA-N 2 0 299.434 1.514 10 0 CDAERP CC[C@H](C)C[N@H+](CC)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001366637432 957068471 /nfs/dbraw/zinc/06/84/71/957068471.db2.gz DCFZSAQTRWLSBM-GJZGRUSLSA-N 2 0 283.460 1.812 10 0 CDAERP CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001424037020 957093817 /nfs/dbraw/zinc/09/38/17/957093817.db2.gz GFYWWNKDGUIGKQ-CABCVRRESA-N 2 0 281.444 1.804 10 0 CDAERP CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001424042356 957096573 /nfs/dbraw/zinc/09/65/73/957096573.db2.gz IFZTYWUSAPWDGF-KGLIPLIRSA-N 2 0 283.460 1.668 10 0 CDAERP CCC[N@@H+]1CC[C@H](CCNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001366844123 957218681 /nfs/dbraw/zinc/21/86/81/957218681.db2.gz KNEUCJKOYHGCDM-CABCVRRESA-N 2 0 281.444 1.566 10 0 CDAERP C[NH2+]CCOCCN(C)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC001331763288 957247023 /nfs/dbraw/zinc/24/70/23/957247023.db2.gz WLNIAPIXYBUVHK-LBPRGKRZSA-N 2 0 297.468 1.936 10 0 CDAERP O=C(N[C@H]1C[C@@H]([NH2+]CCCF)C1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001317111344 957278145 /nfs/dbraw/zinc/27/81/45/957278145.db2.gz ABCHKLGNUXDGON-BARDWOONSA-N 2 0 297.418 1.600 10 0 CDAERP CC[NH2+]C1CCC(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001317221384 957349832 /nfs/dbraw/zinc/34/98/32/957349832.db2.gz IIUOIYHAGOAJCU-UHFFFAOYSA-N 2 0 255.406 1.364 10 0 CDAERP CCCCCC[NH2+][C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001317284511 957403178 /nfs/dbraw/zinc/40/31/78/957403178.db2.gz VWWSPKYWZSSUGB-CQSZACIVSA-N 2 0 281.444 1.757 10 0 CDAERP CCC(CC)C[NH2+][C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001317287809 957405081 /nfs/dbraw/zinc/40/50/81/957405081.db2.gz DDTIQBSNZZLLAY-ZDUSSCGKSA-N 2 0 269.433 1.613 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H]1CCN(C(=O)Cc2cncn2C)C1 ZINC001317343146 957430694 /nfs/dbraw/zinc/43/06/94/957430694.db2.gz JWJBPBPPDIMOQF-AWEZNQCLSA-N 2 0 290.411 1.367 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)CCC(F)(F)F ZINC001425071134 957463185 /nfs/dbraw/zinc/46/31/85/957463185.db2.gz BKIHMGKPAISORX-LLVKDONJSA-N 2 0 297.365 1.716 10 0 CDAERP CC/C=C/CC[NH+]1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001494625484 972272403 /nfs/dbraw/zinc/27/24/03/972272403.db2.gz LCGLORZJAKRYNG-ONEGZZNKSA-N 2 0 279.428 1.487 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+](CCCCCF)C2)C1 ZINC001317534379 957533842 /nfs/dbraw/zinc/53/38/42/957533842.db2.gz KCWUHTHGCOHVBD-GJZGRUSLSA-N 2 0 299.434 1.516 10 0 CDAERP CCC[NH2+]CCN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001317614801 957599121 /nfs/dbraw/zinc/59/91/21/957599121.db2.gz PDEPTJDTICJAIX-UHFFFAOYSA-N 2 0 283.460 1.957 10 0 CDAERP CCc1nc(C)c(C[NH2+]CCN(C)C(=O)CC[NH+](C)C)o1 ZINC001317623290 957605504 /nfs/dbraw/zinc/60/55/04/957605504.db2.gz JMEODWISZJWCKC-UHFFFAOYSA-N 2 0 296.415 1.045 10 0 CDAERP CC(C)[C@H](C(=O)N(C)CC[NH2+]CC1CCC1)[NH+]1CCCC1 ZINC001317665170 957629012 /nfs/dbraw/zinc/62/90/12/957629012.db2.gz PQCQUCPGSVDMEX-MRXNPFEDSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)OCC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001425932110 957646448 /nfs/dbraw/zinc/64/64/48/957646448.db2.gz OLLXEWBIWMNMBK-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCC[NH+](CCCCCF)C2)C1 ZINC001317991515 957843211 /nfs/dbraw/zinc/84/32/11/957843211.db2.gz HDBZMTUNHOJFGJ-CABCVRRESA-N 2 0 299.434 1.659 10 0 CDAERP C[C@H](CNC(=O)Cc1c[nH]cn1)C[NH2+]CC1CC(C)(C)C1 ZINC001367295672 957911232 /nfs/dbraw/zinc/91/12/32/957911232.db2.gz SCQGTMJBADTZRZ-LBPRGKRZSA-N 2 0 292.427 1.730 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001367329316 957933606 /nfs/dbraw/zinc/93/36/06/957933606.db2.gz YSKRIOQMBAPMAJ-ZIAGYGMSSA-N 2 0 299.434 1.705 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N[C@@](C)(C[NH2+]CCCF)C2CC2)C1 ZINC001318727240 958247358 /nfs/dbraw/zinc/24/73/58/958247358.db2.gz KQZRXZGKFLNXEX-DOMZBBRYSA-N 2 0 285.407 1.172 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH+](C)CCC(F)(F)F ZINC001367863861 958443401 /nfs/dbraw/zinc/44/34/01/958443401.db2.gz RDOCMQYGSXNEIJ-LLVKDONJSA-N 2 0 297.365 1.716 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H](C[NH2+]CCF)C1CC1 ZINC001569306255 1169754780 /nfs/dbraw/zinc/75/47/80/1169754780.db2.gz KFLMEWGOUCJDBA-KBPBESRZSA-N 2 0 285.407 1.315 10 0 CDAERP C[C@@H](C[NH2+]C/C=C\Cl)N(C)C(=O)CCC[NH+](C)C ZINC001319523775 958608064 /nfs/dbraw/zinc/60/80/64/958608064.db2.gz SIISJPNKTBPHKX-VFFGBVLKSA-N 2 0 275.824 1.517 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)[C@@H](C)C[NH2+]CCC(F)(F)F ZINC001319556837 958626746 /nfs/dbraw/zinc/62/67/46/958626746.db2.gz DNAOQXWZCWDNLR-NSHDSACASA-N 2 0 297.365 1.717 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCF)C[C@H]1C ZINC001368102784 958639869 /nfs/dbraw/zinc/63/98/69/958639869.db2.gz HUMOMNGOZSHVTA-CHWSQXEVSA-N 2 0 273.396 1.265 10 0 CDAERP CC(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001368644362 959010559 /nfs/dbraw/zinc/01/05/59/959010559.db2.gz OAJIIPWQOWSKKI-LSDHHAIUSA-N 2 0 283.460 1.857 10 0 CDAERP CC[NH2+]CC[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001320641265 959289559 /nfs/dbraw/zinc/28/95/59/959289559.db2.gz VRALPPJXWVGPOE-AWEZNQCLSA-N 2 0 269.433 1.757 10 0 CDAERP CC[C@@H](C(=O)N(CC)CC[NH2+]Cc1ocnc1C)[NH+](C)C ZINC001320900985 959449010 /nfs/dbraw/zinc/44/90/10/959449010.db2.gz JRLNZLJNTZVGOL-ZDUSSCGKSA-N 2 0 296.415 1.261 10 0 CDAERP CCN(CC[NH2+]C/C=C/Cl)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001320902294 959450648 /nfs/dbraw/zinc/45/06/48/959450648.db2.gz REBNNAVVJHYERI-GWJCSSMESA-N 2 0 289.851 1.763 10 0 CDAERP CC(C)[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@H]2C1 ZINC001369155139 959488188 /nfs/dbraw/zinc/48/81/88/959488188.db2.gz FUJAQLNRFOZBIA-HRCADAONSA-N 2 0 295.471 1.953 10 0 CDAERP CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1CCC ZINC001369512474 959724052 /nfs/dbraw/zinc/72/40/52/959724052.db2.gz SKFNDGZNKIODHP-HUUCEWRRSA-N 2 0 299.459 1.022 10 0 CDAERP CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1CCC ZINC001369512477 959724413 /nfs/dbraw/zinc/72/44/13/959724413.db2.gz SKFNDGZNKIODHP-LSDHHAIUSA-N 2 0 299.459 1.022 10 0 CDAERP CCC[NH2+]C/C=C/CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001321363016 959745229 /nfs/dbraw/zinc/74/52/29/959745229.db2.gz JSQCCECBDVQTIW-BWPKMQGJSA-N 2 0 265.401 1.144 10 0 CDAERP CCOCC[NH2+]C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001321513752 959827085 /nfs/dbraw/zinc/82/70/85/959827085.db2.gz HOUSHKYMZDFBBL-CQSZACIVSA-N 2 0 299.459 1.382 10 0 CDAERP C[C@@](C[NH2+]CC1CCC1)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001495302867 972468434 /nfs/dbraw/zinc/46/84/34/972468434.db2.gz YTVLOJKRDQIKRE-KRWDZBQOSA-N 2 0 293.455 1.757 10 0 CDAERP COC[C@H](C)[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001322506138 960242724 /nfs/dbraw/zinc/24/27/24/960242724.db2.gz XDBQUVKRBNXGLN-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001433703474 960536157 /nfs/dbraw/zinc/53/61/57/960536157.db2.gz IQPPJKBUVJWPQP-LSDHHAIUSA-N 2 0 281.444 1.661 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1C)[NH+](C)C ZINC001371422993 972511865 /nfs/dbraw/zinc/51/18/65/972511865.db2.gz WOPQNANEYMCQOW-GDBMZVCRSA-N 2 0 291.439 1.930 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+]2CCCCCF)C1 ZINC001323303052 960630748 /nfs/dbraw/zinc/63/07/48/960630748.db2.gz RDMOQUUUPHUSIY-CABCVRRESA-N 2 0 299.434 1.659 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001418707423 960928011 /nfs/dbraw/zinc/92/80/11/960928011.db2.gz USDVRWFMPYXFQS-KKUMJFAQSA-N 2 0 281.444 1.613 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2[N@@H+](CCF)C1 ZINC001418745027 960968668 /nfs/dbraw/zinc/96/86/68/960968668.db2.gz GYDSQEFXRXLTNR-AJNGGQMLSA-N 2 0 297.418 1.076 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CCCF)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001324083087 961157829 /nfs/dbraw/zinc/15/78/29/961157829.db2.gz VGVWWVJIAXDPMO-ZIAGYGMSSA-N 2 0 299.434 1.657 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCOC)C[C@@H]1C ZINC001324096448 961161108 /nfs/dbraw/zinc/16/11/08/961161108.db2.gz BCKYUOBJGOWSFU-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP C[N@H+](CCC1CC1)C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001418941573 961174792 /nfs/dbraw/zinc/17/47/92/961174792.db2.gz IBSNSRJGXBBBSX-INIZCTEOSA-N 2 0 293.455 1.663 10 0 CDAERP CC[C@@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)CC ZINC001419055338 961309824 /nfs/dbraw/zinc/30/98/24/961309824.db2.gz PJERVKOCUWAJGW-ILXRZTDVSA-N 2 0 281.444 1.659 10 0 CDAERP CC[NH+]1CCC(C)(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001324339538 961317114 /nfs/dbraw/zinc/31/71/14/961317114.db2.gz IXHALXSPCRUODZ-ZDUSSCGKSA-N 2 0 267.417 1.319 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccsc1 ZINC001419183042 961484545 /nfs/dbraw/zinc/48/45/45/961484545.db2.gz UVIJXBJYUVUOJE-KBPBESRZSA-N 2 0 295.452 1.827 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]([NH2+]CCC(F)(F)F)C1CC1 ZINC001419284626 961582325 /nfs/dbraw/zinc/58/23/25/961582325.db2.gz RQTMIWFHSBPCLE-LLVKDONJSA-N 2 0 295.349 1.375 10 0 CDAERP Cc1oncc1C[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001419520599 961786062 /nfs/dbraw/zinc/78/60/62/961786062.db2.gz QKJSMYJONXNHBL-OKILXGFUSA-N 2 0 294.399 1.060 10 0 CDAERP CC(C)[NH2+][C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001419878540 962192949 /nfs/dbraw/zinc/19/29/49/962192949.db2.gz NJSXCAFUABFGQI-GJZGRUSLSA-N 2 0 283.460 2.000 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+]Cc1cc(C)ns1 ZINC001419879040 962193166 /nfs/dbraw/zinc/19/31/66/962193166.db2.gz CLXACOIWJNPCDC-GFCCVEGCSA-N 2 0 298.456 1.388 10 0 CDAERP CC(C)CC[N@@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001437004736 962554643 /nfs/dbraw/zinc/55/46/43/962554643.db2.gz QDFOGYMOBVNMLW-OAHLLOKOSA-N 2 0 283.460 1.812 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC001437310733 962799307 /nfs/dbraw/zinc/79/93/07/962799307.db2.gz KZFBDCJQCTYVHJ-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CC[NH+](CCF)C1 ZINC001420525583 963010921 /nfs/dbraw/zinc/01/09/21/963010921.db2.gz DGDUEYJNPSTWEH-ZIAGYGMSSA-N 2 0 285.407 1.268 10 0 CDAERP O=C(C[NH+]1CCCC1)NCC[C@@H]1CC[N@@H+](CCCF)C1 ZINC001437951540 963252348 /nfs/dbraw/zinc/25/23/48/963252348.db2.gz XBSRMYZOYVEUQO-CQSZACIVSA-N 2 0 285.407 1.270 10 0 CDAERP CC(C)C[C@H](C)C[N@@H+]1CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001420899019 963341367 /nfs/dbraw/zinc/34/13/67/963341367.db2.gz FNKWEHVBSQSXIP-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001438241195 963379739 /nfs/dbraw/zinc/37/97/39/963379739.db2.gz JVGJKWSSLSLIRG-ZIAGYGMSSA-N 2 0 287.423 1.609 10 0 CDAERP CC[C@H](C)C[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001420979283 963401228 /nfs/dbraw/zinc/40/12/28/963401228.db2.gz SWOAYCPPCFLDHC-UONOGXRCSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@H](C[NH2+]CC1CCC1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001438714242 963531643 /nfs/dbraw/zinc/53/16/43/963531643.db2.gz YQFNFNDTHNPHIV-UKRRQHHQSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]C[C@@H](C)CC ZINC001421440825 963608805 /nfs/dbraw/zinc/60/88/05/963608805.db2.gz GEPSSLSDQPWCNS-DZGCQCFKSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccsc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001439269906 963697514 /nfs/dbraw/zinc/69/75/14/963697514.db2.gz WGUYYZOEFCEXKH-LBPRGKRZSA-N 2 0 293.436 1.438 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]CC3CCCC3)CC2)C1 ZINC001439668783 963830594 /nfs/dbraw/zinc/83/05/94/963830594.db2.gz VFGWQHBUVNPJNA-CQSZACIVSA-N 2 0 279.428 1.367 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001439851103 963880130 /nfs/dbraw/zinc/88/01/30/963880130.db2.gz NWEJQESUCPAMNI-RDJZCZTQSA-N 2 0 295.471 1.955 10 0 CDAERP COCC[N@@H+]1CC[C@@](C)(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001439859501 963883791 /nfs/dbraw/zinc/88/37/91/963883791.db2.gz OFVHTCPQHQOAKG-GDBMZVCRSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001440350293 963995058 /nfs/dbraw/zinc/99/50/58/963995058.db2.gz PLTZEZFGBSZJJP-KOMQPUFPSA-N 2 0 295.471 1.859 10 0 CDAERP CC[C@@H](C)C[NH2+][C@@H]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001440402274 964019450 /nfs/dbraw/zinc/01/94/50/964019450.db2.gz NXBFISAAVZLMAT-QLFBSQMISA-N 2 0 283.460 1.859 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@]2(CC[NH+](CCF)C2)C1 ZINC001440539426 964104312 /nfs/dbraw/zinc/10/43/12/964104312.db2.gz QCORSMDTPOYVKT-MRXNPFEDSA-N 2 0 299.434 1.612 10 0 CDAERP CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001440988730 964311108 /nfs/dbraw/zinc/31/11/08/964311108.db2.gz LPRWGTVYIBMTDQ-HUUCEWRRSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CCC1CCCC1 ZINC001441583503 964601875 /nfs/dbraw/zinc/60/18/75/964601875.db2.gz BTTXHQMCJFQJEH-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCCC[NH+]2CCCF)C1 ZINC001441655390 964637808 /nfs/dbraw/zinc/63/78/08/964637808.db2.gz YARUVPXVLGDKQF-HUUCEWRRSA-N 2 0 299.434 1.659 10 0 CDAERP C[C@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH2+]C[C@H](C)O ZINC001441870928 964760131 /nfs/dbraw/zinc/76/01/31/964760131.db2.gz KOXVSRUMJVNOIT-OLZOCXBDSA-N 2 0 299.459 1.115 10 0 CDAERP C[C@@H](CNC(=O)CCC[NH+](C)C)[NH2+]Cc1ccsc1 ZINC001441943902 964801429 /nfs/dbraw/zinc/80/14/29/964801429.db2.gz PSHXIBISMXDXRW-LBPRGKRZSA-N 2 0 283.441 1.684 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001346056429 964900147 /nfs/dbraw/zinc/90/01/47/964900147.db2.gz PKSFRMAXQXJXAD-JHJVBQTASA-N 2 0 265.401 1.295 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001442603567 965132492 /nfs/dbraw/zinc/13/24/92/965132492.db2.gz NZOWHFXMTVJAOC-GJZGRUSLSA-N 2 0 299.459 1.049 10 0 CDAERP CC(C)C[C@H](C)C[NH+]1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001443543430 965508042 /nfs/dbraw/zinc/50/80/42/965508042.db2.gz OJYXTZCJOSLVTP-AWEZNQCLSA-N 2 0 293.455 1.565 10 0 CDAERP C[C@H](F)CC[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCCC1 ZINC001444540543 965865936 /nfs/dbraw/zinc/86/59/36/965865936.db2.gz ZDXUOWJKYAKUTA-AWEZNQCLSA-N 2 0 299.434 1.849 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+]2CC)C1 ZINC001444890874 965992230 /nfs/dbraw/zinc/99/22/30/965992230.db2.gz DVCKFXCAJUQQAC-UONOGXRCSA-N 2 0 267.417 1.271 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+]2CC)C1 ZINC001444890871 965993957 /nfs/dbraw/zinc/99/39/57/965993957.db2.gz DVCKFXCAJUQQAC-KGLIPLIRSA-N 2 0 267.417 1.271 10 0 CDAERP CC(C)[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC1CCC1 ZINC001444908230 965998678 /nfs/dbraw/zinc/99/86/78/965998678.db2.gz GZRMKNIZHDUUFQ-GOEBONIOSA-N 2 0 295.471 1.859 10 0 CDAERP CC1CC(C[N@H+](C)CCN(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001445062378 966084087 /nfs/dbraw/zinc/08/40/87/966084087.db2.gz VVTQIJMVJUBZIG-PCKAHOCUSA-N 2 0 295.471 1.765 10 0 CDAERP CCCCCC[N@H+](C)CC(=O)N1CC[C@](O)(C[NH+](C)C)C1 ZINC001348965099 966239631 /nfs/dbraw/zinc/23/96/31/966239631.db2.gz KTFXJDDCUPTSOT-INIZCTEOSA-N 2 0 299.459 1.024 10 0 CDAERP C[C@@H](C[NH2+]C[C@H]1CCC(F)(F)C1)NC(=O)CC[NH+](C)C ZINC001445615141 966257078 /nfs/dbraw/zinc/25/70/78/966257078.db2.gz PIMRLJGNPSXGDV-RYUDHWBXSA-N 2 0 291.386 1.468 10 0 CDAERP CC(C)CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1C ZINC001445771052 966326094 /nfs/dbraw/zinc/32/60/94/966326094.db2.gz PXVWRUXWOVZGMB-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP Cc1nc[nH]c1CC(=O)N[C@@H](C)C[N@@H+](C)CC[C@H](C)F ZINC001445847486 966363421 /nfs/dbraw/zinc/36/34/21/966363421.db2.gz ATMYFJMCQYOQTJ-QWRGUYRKSA-N 2 0 284.379 1.445 10 0 CDAERP CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+](C)C(C)C ZINC001447032454 966685474 /nfs/dbraw/zinc/68/54/74/966685474.db2.gz AWHDRNYWDQIYGI-CABCVRRESA-N 2 0 281.444 1.802 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001447897756 966922002 /nfs/dbraw/zinc/92/20/02/966922002.db2.gz ITDMZJURFCOLCJ-QWHCGFSZSA-N 2 0 295.402 1.760 10 0 CDAERP CO[C@@H](C)C[N@@H+]1CCCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001448272512 967055332 /nfs/dbraw/zinc/05/53/32/967055332.db2.gz XOHMGOGQOQVUAZ-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CCF ZINC001448718401 967223869 /nfs/dbraw/zinc/22/38/69/967223869.db2.gz LOTOBGUMPDXKOJ-GFCCVEGCSA-N 2 0 273.396 1.267 10 0 CDAERP CCC[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@H]12 ZINC001449003986 967329620 /nfs/dbraw/zinc/32/96/20/967329620.db2.gz AJNPAXBLQXAWIZ-HOCLYGCPSA-N 2 0 281.444 1.850 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N(C)CC[NH+]1CCCCC1 ZINC001300155322 967581678 /nfs/dbraw/zinc/58/16/78/967581678.db2.gz LYFNCIUQXRUQNR-AWEZNQCLSA-N 2 0 269.433 1.519 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC1CCC1 ZINC001480486717 967954285 /nfs/dbraw/zinc/95/42/85/967954285.db2.gz NYZSMJDUVIXVEJ-JSGCOSHPSA-N 2 0 267.417 1.365 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH2+]C(C)C)C1 ZINC001480520368 968072235 /nfs/dbraw/zinc/07/22/35/968072235.db2.gz BAOUJIGWGWWSOM-ZIAGYGMSSA-N 2 0 269.433 1.611 10 0 CDAERP CC[NH+](CC)CC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001529415075 969038753 /nfs/dbraw/zinc/03/87/53/969038753.db2.gz LNCXUVZJBWBMSQ-OLZOCXBDSA-N 2 0 255.406 1.175 10 0 CDAERP CC[NH+](CC)CCCN1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001460862749 969555701 /nfs/dbraw/zinc/55/57/01/969555701.db2.gz IDCURLLVDGUPIE-CABCVRRESA-N 2 0 253.434 1.602 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC001463735754 969748416 /nfs/dbraw/zinc/74/84/16/969748416.db2.gz ZOTHAFBRVSZAKU-AWEZNQCLSA-N 2 0 290.411 1.318 10 0 CDAERP O[C@@H]1CC[N@@H+](C2CC[NH+](CC3(O)CCCCCC3)CC2)C1 ZINC001414018540 969850439 /nfs/dbraw/zinc/85/04/39/969850439.db2.gz NYDSBVAIHSMPMG-MRXNPFEDSA-N 2 0 296.455 1.603 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001371520680 972540178 /nfs/dbraw/zinc/54/01/78/972540178.db2.gz OVQYSVJBMMRQGK-KBPBESRZSA-N 2 0 297.418 1.553 10 0 CDAERP CC/C=C/CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001495591535 972546840 /nfs/dbraw/zinc/54/68/40/972546840.db2.gz MJVFKLCCPHHZHL-CGFBPQRUSA-N 2 0 293.455 1.875 10 0 CDAERP CC(C)C[NH2+]CC[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001497204695 973242717 /nfs/dbraw/zinc/24/27/17/973242717.db2.gz FIZHDFIJDCLHNA-CYBMUJFWSA-N 2 0 269.433 1.611 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@H]1CC[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001417815183 973401435 /nfs/dbraw/zinc/40/14/35/973401435.db2.gz XWABICUZGANOGQ-DZYGNGBISA-N 2 0 299.846 1.709 10 0 CDAERP CC[C@H](C[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C)OC ZINC001417848337 973415233 /nfs/dbraw/zinc/41/52/33/973415233.db2.gz BGLQBIWWHAOSSE-KFWWJZLASA-N 2 0 299.459 1.332 10 0 CDAERP CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001497621534 973437778 /nfs/dbraw/zinc/43/77/78/973437778.db2.gz PWQFACYQANIUNP-GJBLVYBDSA-N 2 0 267.417 1.389 10 0 CDAERP CC(C)(C(=O)NC/C=C\C[NH2+]CCF)[NH+]1CCCC1 ZINC001497655177 973449313 /nfs/dbraw/zinc/44/93/13/973449313.db2.gz CWWJALMKYJSSSM-ARJAWSKDSA-N 2 0 271.380 1.092 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CC[C@H]2CCCO2)C1 ZINC001417913396 973470328 /nfs/dbraw/zinc/47/03/28/973470328.db2.gz KBSTURZNCPMUJT-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)[NH2+]C/C=C/CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001497721948 973478654 /nfs/dbraw/zinc/47/86/54/973478654.db2.gz HUVXZRFGBOZPJQ-ONEGZZNKSA-N 2 0 293.455 1.779 10 0 CDAERP CC[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001497764052 973490010 /nfs/dbraw/zinc/49/00/10/973490010.db2.gz NPJNSJZHQLUBNO-KTRBRXNASA-N 2 0 253.390 1.143 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]C/C=C\Cl)C1CC1 ZINC001417987211 973517460 /nfs/dbraw/zinc/51/74/60/973517460.db2.gz XDBRUNGRDJGQMB-FXGKEJOTSA-N 2 0 299.846 1.708 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]C/C=C/Cl)[NH+](C)C ZINC001497833898 973542336 /nfs/dbraw/zinc/54/23/36/973542336.db2.gz VIEXGPONMWKUBV-JIVBQCDMSA-N 2 0 275.824 1.419 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+](CC[C@H](C)F)C1 ZINC001373682619 973566716 /nfs/dbraw/zinc/56/67/16/973566716.db2.gz ANKHWHIEEOVLHH-UONOGXRCSA-N 2 0 287.423 1.609 10 0 CDAERP CCc1cccc(C[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C)c1 ZINC001497899931 973568621 /nfs/dbraw/zinc/56/86/21/973568621.db2.gz OTAPWQUJHUTWEK-CQSZACIVSA-N 2 0 291.439 1.795 10 0 CDAERP C[C@@H](C[NH2+]CC1CC1)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001498118636 973693115 /nfs/dbraw/zinc/69/31/15/973693115.db2.gz UHVPYAOVMSTZTK-LRDDRELGSA-N 2 0 299.434 1.703 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001418270219 973714353 /nfs/dbraw/zinc/71/43/53/973714353.db2.gz UBJZELUHRMZZJM-DGCLKSJQSA-N 2 0 273.396 1.171 10 0 CDAERP CC(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001374219501 973843546 /nfs/dbraw/zinc/84/35/46/973843546.db2.gz PFUQKECKXDGQSF-GJZGRUSLSA-N 2 0 283.460 1.952 10 0 CDAERP C[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)CCC1CCCC1 ZINC001418513212 973920100 /nfs/dbraw/zinc/92/01/00/973920100.db2.gz VPAVBPSZYIRNHX-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@@H](C[N@H+](C)CC1=CCCCC1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001498450116 973920599 /nfs/dbraw/zinc/92/05/99/973920599.db2.gz KCGXKHAIBMFIIK-GOEBONIOSA-N 2 0 293.455 1.875 10 0 CDAERP CC(C)[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001498760564 974052779 /nfs/dbraw/zinc/05/27/79/974052779.db2.gz OELMFBVIFVYBOD-HUUCEWRRSA-N 2 0 281.444 1.752 10 0 CDAERP C[C@H](C[NH2+]Cc1ccsc1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001374804764 974130072 /nfs/dbraw/zinc/13/00/72/974130072.db2.gz FYNGFQWWFJUODR-GFCCVEGCSA-N 2 0 295.452 1.684 10 0 CDAERP C[C@@H]1[C@H](C)[NH+](C)CCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001546269460 974253677 /nfs/dbraw/zinc/25/36/77/974253677.db2.gz UWJSCTLOXVVIMA-FQUUOJAGSA-N 2 0 267.417 1.268 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC2(C1)CC[NH+](CC1CC1)CC2 ZINC001499584737 974269113 /nfs/dbraw/zinc/26/91/13/974269113.db2.gz JISNMTVMJZQGBV-UHFFFAOYSA-N 2 0 293.455 1.663 10 0 CDAERP CC(C)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H](C)C1 ZINC001499857886 974316566 /nfs/dbraw/zinc/31/65/66/974316566.db2.gz OWYBXZSGIAZTCO-LSDHHAIUSA-N 2 0 283.460 1.952 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]C/C=C/Cl ZINC001499955561 974343640 /nfs/dbraw/zinc/34/36/40/974343640.db2.gz UELJXQCMJFNBKB-VUDGCMKMSA-N 2 0 287.835 1.660 10 0 CDAERP CC(C)CC[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001375419110 974375246 /nfs/dbraw/zinc/37/52/46/974375246.db2.gz CBMODGRXYBUDII-OAHLLOKOSA-N 2 0 293.455 1.613 10 0 CDAERP CC[C@H](C)C[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001375420484 974376493 /nfs/dbraw/zinc/37/64/93/974376493.db2.gz KGRALELKGNDQHR-ZFWWWQNUSA-N 2 0 293.455 1.613 10 0 CDAERP O=C(NCC1([NH2+]CC2CCC2)CC1)[C@@]12CC[N@H+](C1)CCC2 ZINC001375537863 974417138 /nfs/dbraw/zinc/41/71/38/974417138.db2.gz LQAOCYMUMATUEN-INIZCTEOSA-N 2 0 291.439 1.511 10 0 CDAERP C[N@H+](CC(=O)N1CC[C@@](C)(C[NH2+]CCCF)C1)C1CCC1 ZINC001500354351 974425865 /nfs/dbraw/zinc/42/58/65/974425865.db2.gz QAMYBEIVNQPCKY-INIZCTEOSA-N 2 0 299.434 1.659 10 0 CDAERP CO[C@H](C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+](C)C ZINC001375593154 974428830 /nfs/dbraw/zinc/42/88/30/974428830.db2.gz TXOLLDWRHXMQMV-KFWWJZLASA-N 2 0 299.459 1.190 10 0 CDAERP C[NH+](C)CCC(=O)NCC1(C)CC[NH+](CC2CC2)CC1 ZINC001500444352 974438145 /nfs/dbraw/zinc/43/81/45/974438145.db2.gz JZFXBVMCZOQTDT-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](CCCF)CC[C@@H]2C1 ZINC001375631271 974439450 /nfs/dbraw/zinc/43/94/50/974439450.db2.gz IJNVNEYGQZSUSX-KGLIPLIRSA-N 2 0 285.407 1.078 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001376137499 974578635 /nfs/dbraw/zinc/57/86/35/974578635.db2.gz ZOJWZDJRNLKGBH-AWEZNQCLSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H](F)CC[NH2+][C@@H]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001376482547 974673446 /nfs/dbraw/zinc/67/34/46/974673446.db2.gz SXYHMCSYAPVMIA-SOUVJXGZSA-N 2 0 299.434 1.703 10 0 CDAERP CCC[NH2+]C1(C)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001502797357 974786154 /nfs/dbraw/zinc/78/61/54/974786154.db2.gz JTHOVIZJZXMZOG-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP COC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001502832826 974793367 /nfs/dbraw/zinc/79/33/67/974793367.db2.gz ZUIIKKUPLKEYNF-KGLIPLIRSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]CCF)[NH+]1CCCCC1 ZINC001376883668 974803036 /nfs/dbraw/zinc/80/30/36/974803036.db2.gz RWXTZFDUZZIRTH-KBPBESRZSA-N 2 0 287.423 1.561 10 0 CDAERP C[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCOC1CCC1 ZINC001503117179 974812887 /nfs/dbraw/zinc/81/28/87/974812887.db2.gz NQDBJRXGXTWRRD-DZGCQCFKSA-N 2 0 297.443 1.134 10 0 CDAERP C[C@@H](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]C/C=C/Cl ZINC001503200496 974815685 /nfs/dbraw/zinc/81/56/85/974815685.db2.gz YTHPRNWYFZSYEZ-NSKKFWSMSA-N 2 0 299.846 1.565 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@@H](CNC(=O)Cn2cncc2C)C1 ZINC001377445989 975030673 /nfs/dbraw/zinc/03/06/73/975030673.db2.gz OTKUIXFIKYWPKU-ZFWWWQNUSA-N 2 0 292.427 1.676 10 0 CDAERP CCC[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001377525909 975063934 /nfs/dbraw/zinc/06/39/34/975063934.db2.gz UAYQQVFAKAIQKR-OAHLLOKOSA-N 2 0 279.428 1.319 10 0 CDAERP Cc1ncc(C[NH2+][C@H](C)[C@H](C)NC(=O)C[NH+]2CCCC2)o1 ZINC001377916072 975174322 /nfs/dbraw/zinc/17/43/22/975174322.db2.gz SLPQTFWIMLHHRG-NEPJUHHUSA-N 2 0 294.399 1.062 10 0 CDAERP CCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](CCCF)C1 ZINC001378197960 975281836 /nfs/dbraw/zinc/28/18/36/975281836.db2.gz OGHCIIGXOYMKSK-CYBMUJFWSA-N 2 0 273.396 1.221 10 0 CDAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cncs1 ZINC001378341292 975334036 /nfs/dbraw/zinc/33/40/36/975334036.db2.gz LXDAFMXIHMGBAK-RYUDHWBXSA-N 2 0 296.440 1.079 10 0 CDAERP Cc1ncccc1C[NH2+][C@@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001507118367 975343977 /nfs/dbraw/zinc/34/39/77/975343977.db2.gz NEWJYTPHSBCOFR-ZDUSSCGKSA-N 2 0 292.427 1.278 10 0 CDAERP C[C@@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]C/C=C/Cl ZINC001507150206 975354815 /nfs/dbraw/zinc/35/48/15/975354815.db2.gz UXJADYHORFHYFP-UXONFWTHSA-N 2 0 285.819 1.271 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001378504515 975370701 /nfs/dbraw/zinc/37/07/01/975370701.db2.gz IBIHZTOWNBXASA-LSDHHAIUSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C1C[NH+](CCC(C)C)C1)[NH+](C)C ZINC001378579495 975403663 /nfs/dbraw/zinc/40/36/63/975403663.db2.gz DVXVYDCXLCQLPY-UKRRQHHQSA-N 2 0 283.460 1.809 10 0 CDAERP Cc1cncn1CC(=O)NC[C@@H](C)C[NH2+]CC1CCCC1 ZINC001378592543 975408337 /nfs/dbraw/zinc/40/83/37/975408337.db2.gz RTTITYZWCYUUFB-ZDUSSCGKSA-N 2 0 292.427 1.724 10 0 CDAERP Cc1cnc([C@@H](C)[NH2+]C[C@@H](C)CNC(=O)CC[NH+](C)C)o1 ZINC001378602443 975411529 /nfs/dbraw/zinc/41/15/29/975411529.db2.gz PJTOIBIPARDNQT-DGCLKSJQSA-N 2 0 296.415 1.338 10 0 CDAERP CCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001404585117 975428016 /nfs/dbraw/zinc/42/80/16/975428016.db2.gz HYRGPDJORAFBRB-LSDHHAIUSA-N 2 0 281.444 1.519 10 0 CDAERP COC[C@@H](C)[N@@H+]1C[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001378653274 975429803 /nfs/dbraw/zinc/42/98/03/975429803.db2.gz KGLUFYVHYHSSIO-KGLIPLIRSA-N 2 0 299.459 1.190 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)C[C@@H]1CC[NH+]1CC[C@H](C)F ZINC001397040381 975447455 /nfs/dbraw/zinc/44/74/55/975447455.db2.gz GWNXUOABFINQPD-KBPBESRZSA-N 2 0 287.423 1.609 10 0 CDAERP O=C(C[NH+]1CCCC1)NCCC1CC[NH+](CCCF)CC1 ZINC001401078231 975448539 /nfs/dbraw/zinc/44/85/39/975448539.db2.gz BNJKLCAQAHMZQK-UHFFFAOYSA-N 2 0 299.434 1.660 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001401130535 975477790 /nfs/dbraw/zinc/47/77/90/975477790.db2.gz SHPUWYCZRKEBDL-UONOGXRCSA-N 2 0 299.459 1.095 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001378810764 975500734 /nfs/dbraw/zinc/50/07/34/975500734.db2.gz LKRQTYQUJVGPEX-UONOGXRCSA-N 2 0 283.460 1.811 10 0 CDAERP Cc1nocc1C[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+](C)C(C)C ZINC001401268644 975555321 /nfs/dbraw/zinc/55/53/21/975555321.db2.gz ZPAFLPVHKRKFOR-GFCCVEGCSA-N 2 0 296.415 1.260 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CCC2CC2)C1 ZINC001379178081 975704490 /nfs/dbraw/zinc/70/44/90/975704490.db2.gz ZFQABACZYJTZPW-HOTGVXAUSA-N 2 0 293.455 1.661 10 0 CDAERP CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C1CCN(CCF)CC1 ZINC001389339441 975774851 /nfs/dbraw/zinc/77/48/51/975774851.db2.gz VNCHFTUKBBYUPG-AWEZNQCLSA-N 2 0 299.434 1.753 10 0 CDAERP Cc1cnc(C[NH2+]C[C@@H](C)CNC(=O)CC[NH+](C)C)s1 ZINC001405694858 975822563 /nfs/dbraw/zinc/82/25/63/975822563.db2.gz DFJVJORXNGFZPD-LLVKDONJSA-N 2 0 298.456 1.245 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]CC1CC(C)(C)C1 ZINC001401715745 975824962 /nfs/dbraw/zinc/82/49/62/975824962.db2.gz CAAYPPRFUBMFKI-ZDUSSCGKSA-N 2 0 283.460 1.859 10 0 CDAERP CCCN(C(=O)C[N@H+](C)C(C)C)C1CC[NH+](CCO)CC1 ZINC001389529463 975886883 /nfs/dbraw/zinc/88/68/83/975886883.db2.gz AQCWURDEOACLGI-UHFFFAOYSA-N 2 0 299.459 1.022 10 0 CDAERP C[C@H](C[NH2+]C[C@@H]1CC(C)(C)CO1)N(C)C(=O)CC[NH+](C)C ZINC001405845688 975904240 /nfs/dbraw/zinc/90/42/40/975904240.db2.gz BVJSHVRLTIWGPV-KGLIPLIRSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@@H](C[NH2+]Cc1nccs1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001405878039 975920546 /nfs/dbraw/zinc/92/05/46/975920546.db2.gz BHVZMYDQTNIMBF-RYUDHWBXSA-N 2 0 296.440 1.031 10 0 CDAERP CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C1CC1 ZINC001389674985 975948684 /nfs/dbraw/zinc/94/86/84/975948684.db2.gz LPDFJJPWJIGJLK-LSDHHAIUSA-N 2 0 281.444 1.754 10 0 CDAERP CN(CC[N@H+](C)CC[C@H]1CCCO1)C(=O)C[NH+]1CCCC1 ZINC001406167570 976076982 /nfs/dbraw/zinc/07/69/82/976076982.db2.gz PUFQMBYACRRESC-OAHLLOKOSA-N 2 0 297.443 1.042 10 0 CDAERP CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001398665449 976096580 /nfs/dbraw/zinc/09/65/80/976096580.db2.gz LVEBLJVJNLOLCN-ZNMIVQPWSA-N 2 0 281.444 1.754 10 0 CDAERP CCC(CC)C[NH2+]C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001406409046 976170378 /nfs/dbraw/zinc/17/03/78/976170378.db2.gz IZHZIUABUNQTGQ-CYBMUJFWSA-N 2 0 281.444 1.613 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NC2CCC([NH2+]C/C=C\Cl)CC2)C1 ZINC001398858118 976182051 /nfs/dbraw/zinc/18/20/51/976182051.db2.gz ZODOTYQVNWASNX-UELBVFAZSA-N 2 0 299.846 1.708 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@@H+]1CCC1CCCC1 ZINC001380036033 976200192 /nfs/dbraw/zinc/20/01/92/976200192.db2.gz POQMUGKGVHKVSN-MRXNPFEDSA-N 2 0 293.455 1.853 10 0 CDAERP Cc1ccccc1C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001398891173 976215479 /nfs/dbraw/zinc/21/54/79/976215479.db2.gz VVMFRZNHCGTYLP-ZBFHGGJFSA-N 2 0 289.423 1.684 10 0 CDAERP C[C@@H](F)CC[NH2+]C1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001380167901 976275196 /nfs/dbraw/zinc/27/51/96/976275196.db2.gz QHCIHGWEEVNSQN-LRVUVFPRSA-N 2 0 299.434 1.655 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001399116407 976347282 /nfs/dbraw/zinc/34/72/82/976347282.db2.gz KCTZOKWLHDHDAF-HOCLYGCPSA-N 2 0 281.444 1.613 10 0 CDAERP Cc1cccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001399119420 976350889 /nfs/dbraw/zinc/35/08/89/976350889.db2.gz QKBQJINXFKQIBF-GDBMZVCRSA-N 2 0 289.423 1.541 10 0 CDAERP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cccnc1 ZINC001399123496 976351386 /nfs/dbraw/zinc/35/13/86/976351386.db2.gz RTXDOJSMXZFEHE-KBPBESRZSA-N 2 0 290.411 1.018 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cncs2)C1)[NH+](C)C ZINC001402625431 976403194 /nfs/dbraw/zinc/40/31/94/976403194.db2.gz DQMASLUYXWMWCC-NTZNESFSSA-N 2 0 296.440 1.220 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CC[NH+]1CC1CCC1 ZINC001406840262 976434747 /nfs/dbraw/zinc/43/47/47/976434747.db2.gz HEXBKMXYYRRUPJ-HOTGVXAUSA-N 2 0 293.455 1.851 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1CC[C@H](C)F ZINC001406881921 976447418 /nfs/dbraw/zinc/44/74/18/976447418.db2.gz HYZFSULJQSBKMY-STQMWFEESA-N 2 0 273.396 1.267 10 0 CDAERP CC[NH2+]C1(C)CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001402786009 976480906 /nfs/dbraw/zinc/48/09/06/976480906.db2.gz RDVNXZUPARWXJL-CYBMUJFWSA-N 2 0 287.423 1.657 10 0 CDAERP CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001380666244 976505018 /nfs/dbraw/zinc/50/50/18/976505018.db2.gz IWAUVVOKYNBOLI-KBPBESRZSA-N 2 0 279.428 1.319 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001406996686 976508609 /nfs/dbraw/zinc/50/86/09/976508609.db2.gz ANKZSSPSJHIUPM-KFWWJZLASA-N 2 0 299.434 1.752 10 0 CDAERP CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C2 ZINC001380692859 976517859 /nfs/dbraw/zinc/51/78/59/976517859.db2.gz RKZOVLPFZDWPKI-QDMKHBRRSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)C[N@H+](C)C[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001402931045 976595430 /nfs/dbraw/zinc/59/54/30/976595430.db2.gz UXOTXGYOQAQDNN-OAHLLOKOSA-N 2 0 293.455 1.661 10 0 CDAERP CN(CCC[N@H+](C)C[C@@H]1CCCOC1)C(=O)CC[NH+](C)C ZINC001380971862 976633530 /nfs/dbraw/zinc/63/35/30/976633530.db2.gz QDAWJBBLASUGEX-HNNXBMFYSA-N 2 0 299.459 1.145 10 0 CDAERP C[C@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)[NH2+]CC1CCC1 ZINC001403066906 976690961 /nfs/dbraw/zinc/69/09/61/976690961.db2.gz WNXHJCWPAYBGOV-STQMWFEESA-N 2 0 281.444 1.611 10 0 CDAERP CC[N@H+](CCNC(=O)C1([NH+](C)C)CCC1)CC[C@H](C)F ZINC001492965349 976710236 /nfs/dbraw/zinc/71/02/36/976710236.db2.gz KQMFVCKVFRYXPM-ZDUSSCGKSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC1CC1 ZINC001403140153 976756250 /nfs/dbraw/zinc/75/62/50/976756250.db2.gz DQDIWCBFMMFRJC-ZBFHGGJFSA-N 2 0 295.471 1.953 10 0 CDAERP CCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001569824132 1170007500 /nfs/dbraw/zinc/00/75/00/1170007500.db2.gz NJUMPCJFRKEPKH-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)CC1CCC1 ZINC001403171412 976784392 /nfs/dbraw/zinc/78/43/92/976784392.db2.gz ODTWOCMIJNLNRS-LZWOXQAQSA-N 2 0 295.471 1.953 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CC2CC2)C1 ZINC001400162307 976902974 /nfs/dbraw/zinc/90/29/74/976902974.db2.gz MVAQCAFRETXDNK-CVEARBPZSA-N 2 0 293.455 1.709 10 0 CDAERP CC[C@@H](C)C[N@H+](C)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001381561971 976917653 /nfs/dbraw/zinc/91/76/53/976917653.db2.gz CZVSTHACMIRQIJ-ZIAGYGMSSA-N 2 0 283.460 1.811 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CCF)C1 ZINC001400216972 976930281 /nfs/dbraw/zinc/93/02/81/976930281.db2.gz KRVXENBQRPFLEK-GJZGRUSLSA-N 2 0 299.434 1.611 10 0 CDAERP COC[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001403443529 976956952 /nfs/dbraw/zinc/95/69/52/976956952.db2.gz SRRYZQAUKLSDBR-KBUPBQIOSA-N 2 0 299.459 1.092 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](CCCC(C)(C)C)C2)C1 ZINC001391595804 976982542 /nfs/dbraw/zinc/98/25/42/976982542.db2.gz NEZUFAZXXWONPA-HUUCEWRRSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[NH+](C)CCCF)CC[N@@H+]1C ZINC001408325321 977008006 /nfs/dbraw/zinc/00/80/06/977008006.db2.gz JNQSSVARELRYBX-QLFBSQMISA-N 2 0 299.434 1.609 10 0 CDAERP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC1CCCC1 ZINC001391747354 977079103 /nfs/dbraw/zinc/07/91/03/977079103.db2.gz DTKLGOSIQUVVFF-OAHLLOKOSA-N 2 0 281.444 1.757 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1CC[N@H+](CC[C@H]2CCCO2)C1)[NH+](C)C ZINC001400659820 977128910 /nfs/dbraw/zinc/12/89/10/977128910.db2.gz BUOMDXWLYFXLKQ-RBSFLKMASA-N 2 0 297.443 1.086 10 0 CDAERP Cc1ncoc1C[NH2+][C@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001403729580 977164794 /nfs/dbraw/zinc/16/47/94/977164794.db2.gz AHYRDUTWOXYUNN-AAEUAGOBSA-N 2 0 294.399 1.014 10 0 CDAERP C[C@@H]1[C@@H]([NH2+]C/C=C/Cl)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001403776393 977186074 /nfs/dbraw/zinc/18/60/74/977186074.db2.gz VKUHVLKUWSXCIH-PROVMUHDSA-N 2 0 297.830 1.414 10 0 CDAERP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cnc(C)o1 ZINC001400909629 977240530 /nfs/dbraw/zinc/24/05/30/977240530.db2.gz ACRSPMZCJIGGPK-ZDUSSCGKSA-N 2 0 294.399 1.063 10 0 CDAERP CC(C)[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CCC1CC1 ZINC001392248549 977280542 /nfs/dbraw/zinc/28/05/42/977280542.db2.gz QILNKCBZIPLPIC-HNNXBMFYSA-N 2 0 293.455 1.613 10 0 CDAERP CCCC[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001404011067 977305072 /nfs/dbraw/zinc/30/50/72/977305072.db2.gz BSNUWEHGKVAMOB-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H](F)CC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001404020148 977309232 /nfs/dbraw/zinc/30/92/32/977309232.db2.gz IZZLGSCMOYCRSC-KBPBESRZSA-N 2 0 285.407 1.411 10 0 CDAERP CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001404039867 977315355 /nfs/dbraw/zinc/31/53/55/977315355.db2.gz ZBLOKWFFDQYGAY-CQSZACIVSA-N 2 0 299.459 1.022 10 0 CDAERP CC[C@H](C(=O)NC[C@H]1CC[N@H+](C/C=C/Cl)C1)[NH+](C)C ZINC001404080011 977331299 /nfs/dbraw/zinc/33/12/99/977331299.db2.gz RPJQPCDYMUCTAJ-MVTQWGDUSA-N 2 0 287.835 1.517 10 0 CDAERP C[NH+](C)CCC(=O)NCC1([NH2+]CC[C@H]2CCCCO2)CC1 ZINC001392931181 977656104 /nfs/dbraw/zinc/65/61/04/977656104.db2.gz XELZIWGRMGJSIL-CQSZACIVSA-N 2 0 297.443 1.136 10 0 CDAERP C[NH+](C)CCC(=O)NC1(C)CC[NH+](C/C=C/Cl)CC1 ZINC001393063606 977691118 /nfs/dbraw/zinc/69/11/18/977691118.db2.gz CIGPKCWTLVKUBV-XBXARRHUSA-N 2 0 287.835 1.661 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@](C)(C[NH2+]CC3CC3)C2)C1 ZINC001393171374 977723358 /nfs/dbraw/zinc/72/33/58/977723358.db2.gz VFAPPRQQZGOHHS-GOEBONIOSA-N 2 0 279.428 1.176 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@](C)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001393208302 977732675 /nfs/dbraw/zinc/73/26/75/977732675.db2.gz SYLOBNYZINRKGZ-INIZCTEOSA-N 2 0 293.455 1.709 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[NH+](CC1CC1)C2 ZINC001393369346 977772228 /nfs/dbraw/zinc/77/22/28/977772228.db2.gz PXISBGJKCSOEMC-XHSDSOJGSA-N 2 0 293.455 1.707 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCCF ZINC001393465069 977794957 /nfs/dbraw/zinc/79/49/57/977794957.db2.gz ONOOTJHYWIKDGW-GJZGRUSLSA-N 2 0 299.434 1.753 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCC2([NH2+]CC3CC3)CCC2)CC[N@@H+]1C ZINC001393559750 977835304 /nfs/dbraw/zinc/83/53/04/977835304.db2.gz LPSLPMJEMHYLSF-ZFWWWQNUSA-N 2 0 293.455 1.755 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC1CCOCC1 ZINC001394007443 978002529 /nfs/dbraw/zinc/00/25/29/978002529.db2.gz SUOVETMVKFCIOC-KGLIPLIRSA-N 2 0 299.459 1.236 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]C/C=C/Cl ZINC001394005812 978003154 /nfs/dbraw/zinc/00/31/54/978003154.db2.gz RQGSTVSMWHPKFL-FNSAGKMKSA-N 2 0 275.824 1.562 10 0 CDAERP CC[C@H](C)C[N@H+](C)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001394073490 978051909 /nfs/dbraw/zinc/05/19/09/978051909.db2.gz KYBZLDJUMJDQHQ-UONOGXRCSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CC1CC(F)(F)C1 ZINC001394521239 978180024 /nfs/dbraw/zinc/18/00/24/978180024.db2.gz QUMUPYYAQIMNPX-LLVKDONJSA-N 2 0 291.386 1.420 10 0 CDAERP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]CCC(C)(C)C ZINC001394561311 978205161 /nfs/dbraw/zinc/20/51/61/978205161.db2.gz VRSAINCITYHWLP-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)COCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001674907802 1174027985 /nfs/dbraw/zinc/02/79/85/1174027985.db2.gz KVOLTLWGTINXPI-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001676467115 1174229289 /nfs/dbraw/zinc/22/92/89/1174229289.db2.gz BAICXUDYLNLOKO-CABCVRRESA-N 2 0 283.460 1.975 10 0 CDAERP CC(C)CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001570018983 1170060262 /nfs/dbraw/zinc/06/02/62/1170060262.db2.gz LNFJTADAYMSUGS-CVEARBPZSA-N 2 0 295.471 1.812 10 0 CDAERP CC(C)[C@@H](C(=O)NC1CC(C[NH2+]CCF)C1)[NH+]1CCCC1 ZINC001570582746 1170196106 /nfs/dbraw/zinc/19/61/06/1170196106.db2.gz VBLZVLMAROOCNC-NRXISQOPSA-N 2 0 299.434 1.561 10 0 CDAERP CC[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H](C)[NH2+]1 ZINC000620898245 342453180 /nfs/dbraw/zinc/45/31/80/342453180.db2.gz TYJRLFYEYOGASH-WCQYABFASA-N 2 0 272.352 1.547 10 0 CDAERP C[C@@H](CNC(=O)N[C@@H]1CCC[N@H+](C)C1)[NH+]1CCCC[C@H]1C ZINC000618555376 349483134 /nfs/dbraw/zinc/48/31/34/349483134.db2.gz WAKKPOPXGKRMOJ-QLFBSQMISA-N 2 0 296.459 1.643 10 0 CDAERP COC(=O)c1ccc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000601326246 342553790 /nfs/dbraw/zinc/55/37/90/342553790.db2.gz LAUYHOZZZSDXKM-RISCZKNCSA-N 2 0 262.353 1.500 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)CC(=O)NCC(C)(C)C)[C@H](C)C1 ZINC000625257217 342057924 /nfs/dbraw/zinc/05/79/24/342057924.db2.gz XYKONWNXOMZPPC-ZIAGYGMSSA-N 2 0 283.460 1.811 10 0 CDAERP [NH3+]CCN1CC[NH2+][C@H](c2cccc3ccncc32)C1 ZINC000616604095 361820844 /nfs/dbraw/zinc/82/08/44/361820844.db2.gz UOIUAPVWGVOYSJ-HNNXBMFYSA-N 2 0 256.353 1.140 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+]2C(C)(C)C)C1 ZINC000617007749 342603875 /nfs/dbraw/zinc/60/38/75/342603875.db2.gz ZPUJJPXQBBCKKX-CHWSQXEVSA-N 2 0 267.417 1.317 10 0 CDAERP [NH3+]C[C@H]1C[NH2+]C[C@@H]1c1ccc(Br)cc1 ZINC000096884135 185119279 /nfs/dbraw/zinc/11/92/79/185119279.db2.gz RRSSAPMNUPUMLS-GXSJLCMTSA-N 2 0 255.159 1.711 10 0 CDAERP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@@H]2C[C@@H]2C)CC1 ZINC000625457046 342170196 /nfs/dbraw/zinc/17/01/96/342170196.db2.gz IHKYVCQNLMQQHO-KBPBESRZSA-N 2 0 254.418 1.715 10 0 CDAERP CCOC(=O)CC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000593728618 342829981 /nfs/dbraw/zinc/82/99/81/342829981.db2.gz AJDBHIRRBMRVQD-MGPQQGTHSA-N 2 0 284.400 1.300 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1ccc2ncccc2c1 ZINC000629397923 361929948 /nfs/dbraw/zinc/92/99/48/361929948.db2.gz HCFQCYFUJHDLBM-UHFFFAOYSA-N 2 0 259.353 1.690 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1ccc(Br)cc1 ZINC000629398423 361931925 /nfs/dbraw/zinc/93/19/25/361931925.db2.gz SWGLKXSWPTZZFW-UHFFFAOYSA-N 2 0 287.201 1.904 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1ccc(F)c2cccnc12 ZINC000629400458 361937981 /nfs/dbraw/zinc/93/79/81/361937981.db2.gz YGQBGYGZNBMYAI-UHFFFAOYSA-N 2 0 277.343 1.829 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCCCC(=O)OC)[C@H](C)C1 ZINC000599332185 344021013 /nfs/dbraw/zinc/02/10/13/344021013.db2.gz MHSAQWDZXWTLGO-ZIAGYGMSSA-N 2 0 270.417 1.992 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000594940512 342978796 /nfs/dbraw/zinc/97/87/96/342978796.db2.gz ZHRHSZLHQZLGHU-NILFDRSVSA-N 2 0 280.412 1.648 10 0 CDAERP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)C[C@H]1CC ZINC000246524808 362021301 /nfs/dbraw/zinc/02/13/01/362021301.db2.gz RNVBZKAPJDDOPF-RBSFLKMASA-N 2 0 297.443 1.073 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](C)Oc1ccccc1F ZINC000422793762 536850135 /nfs/dbraw/zinc/85/01/35/536850135.db2.gz SSXBCFJZLSJXOR-OLZOCXBDSA-N 2 0 284.375 1.937 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](C)N1CCCC[C@@H]1C ZINC000422869757 536850145 /nfs/dbraw/zinc/85/01/45/536850145.db2.gz XXNBHYXFSGDKIK-ZNMIVQPWSA-N 2 0 271.449 1.593 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)C1CC[NH+](C)CC1 ZINC000081257916 342365830 /nfs/dbraw/zinc/36/58/30/342365830.db2.gz LJYDOCOBOMNDMW-ZDUSSCGKSA-N 2 0 267.417 1.319 10 0 CDAERP [NH3+][C@@H]1C[C@@H](NCC2([NH3+])CCOCC2)c2ccccc21 ZINC000629519972 362139760 /nfs/dbraw/zinc/13/97/60/362139760.db2.gz JIZXXMQPMZHRPO-ZIAGYGMSSA-N 2 0 261.369 1.229 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1cc(OC)c(OC)cc1C ZINC000629529079 362154766 /nfs/dbraw/zinc/15/47/66/362154766.db2.gz RCMCMFIUZDJOII-ZDUSSCGKSA-N 2 0 296.411 1.899 10 0 CDAERP CCC[C@@H]([NH2+]CCOCC[NH2+]C)c1cccnc1 ZINC000629529604 362157505 /nfs/dbraw/zinc/15/75/05/362157505.db2.gz IKEMAUHDZYCQEL-CQSZACIVSA-N 2 0 251.374 1.748 10 0 CDAERP CCNC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000090409996 342394834 /nfs/dbraw/zinc/39/48/34/342394834.db2.gz OYGHCOAHFQSROL-HZSPNIEDSA-N 2 0 280.416 1.007 10 0 CDAERP O=C(C[C@@H]1CCC[NH2+]C1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000250826787 344050615 /nfs/dbraw/zinc/05/06/15/344050615.db2.gz HRZHAKFRZQFNTL-BFHYXJOUSA-N 2 0 265.401 1.119 10 0 CDAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccccc1CC[NH3+] ZINC000251704295 344053320 /nfs/dbraw/zinc/05/33/20/344053320.db2.gz JBSIJNHKVPRGHB-ZFWWWQNUSA-N 2 0 287.407 1.497 10 0 CDAERP CCCN(C(=O)N[C@@H]1CCC[NH+](C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000645201243 362350305 /nfs/dbraw/zinc/35/03/05/362350305.db2.gz ADIUVWOIKAWDIB-ZIAGYGMSSA-N 2 0 282.432 1.206 10 0 CDAERP CCCN(C(=O)N[C@@H]1CCC[NH+](C)C1)[C@H]1CC[N@H+](C)C1 ZINC000645201241 362350545 /nfs/dbraw/zinc/35/05/45/362350545.db2.gz ADIUVWOIKAWDIB-KGLIPLIRSA-N 2 0 282.432 1.206 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)C[NH2+]CC2CC2)CC1 ZINC000263249214 362394544 /nfs/dbraw/zinc/39/45/44/362394544.db2.gz IYKMIYDTHSGWSJ-UHFFFAOYSA-N 2 0 267.417 1.224 10 0 CDAERP CN1CC[NH+]=C1N1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000306785330 362572880 /nfs/dbraw/zinc/57/28/80/362572880.db2.gz NJJJBJZDGWPZTL-UHFFFAOYSA-N 2 0 286.423 1.884 10 0 CDAERP O[C@H]1C[NH2+]C[C@@H]1CNCc1c(Cl)oc2ccccc21 ZINC000263283875 362566565 /nfs/dbraw/zinc/56/65/65/362566565.db2.gz URTHVXGNZCJVKO-CABZTGNLSA-N 2 0 280.755 1.756 10 0 CDAERP CC[N@H+](CCC[C@@](C)(CO)[NH2+]C)C[C@@H]1CCCO1 ZINC000085242178 178983406 /nfs/dbraw/zinc/98/34/06/178983406.db2.gz RVKSJTOLCKBUSZ-KBPBESRZSA-N 2 0 258.406 1.238 10 0 CDAERP [NH3+][C@@H]1CCCC[C@@H]1C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000085368467 179038073 /nfs/dbraw/zinc/03/80/73/179038073.db2.gz FOLALOZMNSJPQC-HZSPNIEDSA-N 2 0 265.401 1.201 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCCN2CCO)[C@@H](C)C1 ZINC000449395402 362689605 /nfs/dbraw/zinc/68/96/05/362689605.db2.gz PUHJMDIBKXYWPV-XHSDSOJGSA-N 2 0 283.460 1.153 10 0 CDAERP [NH3+][C@H]1CCC[C@@H]1C(=O)NCC[NH+]1CCCCCC1 ZINC000085370669 179040576 /nfs/dbraw/zinc/04/05/76/179040576.db2.gz HAMDSKLQRLVRRX-STQMWFEESA-N 2 0 253.390 1.106 10 0 CDAERP CC1CC[NH+](CCCNC(=O)[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000085371324 179041073 /nfs/dbraw/zinc/04/10/73/179041073.db2.gz AVVIUZSAHRDGMN-HUUCEWRRSA-N 2 0 281.444 1.742 10 0 CDAERP CC(C)[C@H](CNC(=O)[C@@H]1CCCC[C@@H]1[NH3+])[NH+]1CCCC1 ZINC000085371101 179041333 /nfs/dbraw/zinc/04/13/33/179041333.db2.gz RPQIXXADOLAXPO-ILXRZTDVSA-N 2 0 281.444 1.741 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCC[C@@H]1[NH3+])c1cccs1 ZINC000085370944 179041396 /nfs/dbraw/zinc/04/13/96/179041396.db2.gz PZLSRWPYULUYSU-AGIUHOORSA-N 2 0 295.452 1.985 10 0 CDAERP C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085371875 179041754 /nfs/dbraw/zinc/04/17/54/179041754.db2.gz PXUIQZAPMHPACA-CVEARBPZSA-N 2 0 289.423 1.882 10 0 CDAERP CN1CC[C@@H]([NH2+][C@H]2CCCS(=O)(=O)C2)CC1(C)C ZINC000623423805 346470600 /nfs/dbraw/zinc/47/06/00/346470600.db2.gz RXUWPCNELIEGBP-NEPJUHHUSA-N 2 0 274.430 1.026 10 0 CDAERP CCCc1nc2c(n1C[C@H]1CCC[N@@H+]1CC)CC[NH2+]C2 ZINC000085568678 179095336 /nfs/dbraw/zinc/09/53/36/179095336.db2.gz HANDSHRPEPOTDV-CYBMUJFWSA-N 2 0 276.428 1.966 10 0 CDAERP CC(C)Cc1nc2c(n1[C@H]1C[NH+]3CCC1CC3)CC[NH2+]C2 ZINC000085568705 179095555 /nfs/dbraw/zinc/09/55/55/179095555.db2.gz MSMWWEGIGMWQPN-INIZCTEOSA-N 2 0 288.439 1.994 10 0 CDAERP CCCc1nc2c(n1CC[NH+]1CCCCC1)CC[NH2+]C2 ZINC000085572730 179097337 /nfs/dbraw/zinc/09/73/37/179097337.db2.gz IIXIWTNMRRQGPN-UHFFFAOYSA-N 2 0 276.428 1.967 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000335990197 362782195 /nfs/dbraw/zinc/78/21/95/362782195.db2.gz RXBUBOUOVDFMBV-INIZCTEOSA-N 2 0 273.380 1.361 10 0 CDAERP [NH3+][C@@]1(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)CCOC1 ZINC000085871564 179193251 /nfs/dbraw/zinc/19/32/51/179193251.db2.gz FFRHHDHLSAEOEE-INIZCTEOSA-N 2 0 289.379 1.339 10 0 CDAERP CC[C@H](C)[C@H]1CN(C[C@@H]2CC[N@H+](CC)C2)CC[NH2+]1 ZINC000086141829 179237136 /nfs/dbraw/zinc/23/71/36/179237136.db2.gz UXMDIGGGJNMBDS-RRFJBIMHSA-N 2 0 253.434 1.648 10 0 CDAERP c1ccc([C@H]2CN([C@@H]3CC[N@@H+](C4CC4)C3)CC[NH2+]2)cc1 ZINC000086146004 179238733 /nfs/dbraw/zinc/23/87/33/179238733.db2.gz MSXPMWQGSQIOAS-IAGOWNOFSA-N 2 0 271.408 1.870 10 0 CDAERP CC(C)[C@H]1CN([C@@H]2C[NH+]3CCC2CC3)[C@@H](C)C[NH2+]1 ZINC000086152537 179240648 /nfs/dbraw/zinc/24/06/48/179240648.db2.gz LVYDDKDIWDWRGG-NWANDNLSSA-N 2 0 251.418 1.399 10 0 CDAERP C[C@H]1C[NH2+]C2(CCCC2)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086182668 179248126 /nfs/dbraw/zinc/24/81/26/179248126.db2.gz URYZIWCAGOMPKK-DZGCQCFKSA-N 2 0 263.429 1.687 10 0 CDAERP C[C@@H]1CN[C@@](C)(C2CC2)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086259000 179256368 /nfs/dbraw/zinc/25/63/68/179256368.db2.gz CMSNRXYGKWQOCK-CZUORRHYSA-N 2 0 265.445 1.791 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCN2CCCC2=O)CC1(C)C ZINC000623559473 347632021 /nfs/dbraw/zinc/63/20/21/347632021.db2.gz CAOXQBUDYHFTAY-LBPRGKRZSA-N 2 0 253.390 1.071 10 0 CDAERP Cn1cncc1CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623576402 347641614 /nfs/dbraw/zinc/64/16/14/347641614.db2.gz VOLMROHEMLBLPE-GFCCVEGCSA-N 2 0 250.390 1.425 10 0 CDAERP CCOC(=O)C1CC[NH+](CC[C@H](C[NH3+])OCC)CC1 ZINC000103917681 185860670 /nfs/dbraw/zinc/86/06/70/185860670.db2.gz BUDJVFXVRGAOGM-CYBMUJFWSA-N 2 0 272.389 1.015 10 0 CDAERP C[N@H+](CCCN1CC[NH+](C)CC1)CCc1ccccc1 ZINC000174725888 365945086 /nfs/dbraw/zinc/94/50/86/365945086.db2.gz QMHIVHFIOLKSCD-UHFFFAOYSA-N 2 0 275.440 1.798 10 0 CDAERP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc3c(c2)oc(=O)n3C)C1 ZINC000352151880 362911311 /nfs/dbraw/zinc/91/13/11/362911311.db2.gz WOPJWBWYQOOYNG-CYBMUJFWSA-N 2 0 289.379 1.563 10 0 CDAERP CC(C)[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1CC1 ZINC000066961877 349008349 /nfs/dbraw/zinc/00/83/49/349008349.db2.gz NIOFQQYCSPBXFH-UHFFFAOYSA-N 2 0 279.428 1.602 10 0 CDAERP COC[C@H]([NH2+]CCOCCC[NH3+])c1ccc(F)c(F)c1 ZINC000629539814 362958388 /nfs/dbraw/zinc/95/83/88/362958388.db2.gz REZUZYMLZGPCHP-AWEZNQCLSA-N 2 0 288.338 1.607 10 0 CDAERP Cc1nc([C@@H](C)[NH2+]CCOCCC[NH3+])c(C)s1 ZINC000629534676 362959612 /nfs/dbraw/zinc/95/96/12/362959612.db2.gz AIYISRFORJSCHT-SECBINFHSA-N 2 0 257.403 1.776 10 0 CDAERP COC[C@H]([NH2+]CCOCCC[NH3+])c1ccc(Cl)cc1 ZINC000629540772 362963419 /nfs/dbraw/zinc/96/34/19/362963419.db2.gz XLUMWGUWECPOTB-AWEZNQCLSA-N 2 0 286.803 1.983 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000333294804 362969229 /nfs/dbraw/zinc/96/92/29/362969229.db2.gz IEXMFUGZJALPAX-MGPQQGTHSA-N 2 0 282.432 1.095 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621642420 350687313 /nfs/dbraw/zinc/68/73/13/350687313.db2.gz MUZJNAWLGXHZAF-GJZGRUSLSA-N 2 0 281.444 1.757 10 0 CDAERP COc1ccc([C@@H](N[C@@H]2CC[NH2+][C@H]2C)[C@@H]2CCC[NH2+]2)cc1 ZINC000629548358 362976334 /nfs/dbraw/zinc/97/63/34/362976334.db2.gz ZBGAHOYAOHSGFM-NKKGCODLSA-N 2 0 289.423 1.828 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000629548340 362976523 /nfs/dbraw/zinc/97/65/23/362976523.db2.gz NTNOTKBORXXQNB-YALNPMBYSA-N 2 0 288.439 1.632 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)[C@@H](C)C(=O)N(C)C1CCCCC1 ZINC000629571357 363021466 /nfs/dbraw/zinc/02/14/66/363021466.db2.gz SUERBIFDLQMMBJ-AWEZNQCLSA-N 2 0 299.459 1.334 10 0 CDAERP O[C@@H](C[NH2+]C[C@H]1CC12CCSCC2)C[NH+]1CCCC1 ZINC000629580177 363033369 /nfs/dbraw/zinc/03/33/69/363033369.db2.gz NZNOOZAQBUOAKS-KGLIPLIRSA-N 2 0 284.469 1.566 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1cnn(C(C)C)c1 ZINC000629653766 363254126 /nfs/dbraw/zinc/25/41/26/363254126.db2.gz NEUDVBQMDBGTLC-UHFFFAOYSA-N 2 0 254.378 1.132 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000333947569 363254661 /nfs/dbraw/zinc/25/46/61/363254661.db2.gz VRAZHRPKRMQEJD-KBPBESRZSA-N 2 0 282.432 1.160 10 0 CDAERP Cc1cnn(CCN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000336322071 363367241 /nfs/dbraw/zinc/36/72/41/363367241.db2.gz UIVFQQMGEKYQCR-HUUCEWRRSA-N 2 0 262.401 1.608 10 0 CDAERP C[C@@H]1C[C@H](C)[C@H](C)[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000414755035 366233017 /nfs/dbraw/zinc/23/30/17/366233017.db2.gz HAPJFCBBNXAESQ-CBBWQLFWSA-N 2 0 281.444 1.550 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCC[N@@H+]2CCCC[C@@H]2C)CC[NH2+]1 ZINC000262476422 291044323 /nfs/dbraw/zinc/04/43/23/291044323.db2.gz XKXZTFKYAIFXJE-IHRRRGAJSA-N 2 0 267.417 1.365 10 0 CDAERP CC1CC[NH+](CCCNC(=O)N[C@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000416877294 535280169 /nfs/dbraw/zinc/28/01/69/535280169.db2.gz UHEJMNBZEXDOSN-CABCVRRESA-N 2 0 296.459 1.406 10 0 CDAERP CC(C)([NH3+])c1cc(C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)on1 ZINC000634764451 358499452 /nfs/dbraw/zinc/49/94/52/358499452.db2.gz TXEOFMYJFIOSGW-SNVBAGLBSA-N 2 0 294.399 1.376 10 0 CDAERP C[C@@H]1CN(C(=O)Nc2cccc(C[NH3+])c2)C[C@@H]1[NH+](C)C ZINC000124471818 538450992 /nfs/dbraw/zinc/45/09/92/538450992.db2.gz DATATXVDZXSSJL-RISCZKNCSA-N 2 0 276.384 1.559 10 0 CDAERP CC1([NH+]2CCOCC2)CCC(N2CCC[NH2+]CC2)CC1 ZINC000725262516 538454676 /nfs/dbraw/zinc/45/46/76/538454676.db2.gz DHMXYDYIJYCAKJ-UHFFFAOYSA-N 2 0 281.444 1.315 10 0 CDAERP O=C(C[C@@H]1CCC[NH2+]C1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000054307976 356600024 /nfs/dbraw/zinc/60/00/24/356600024.db2.gz APPYKDCKIBLVOG-UONOGXRCSA-N 2 0 265.401 1.073 10 0 CDAERP CC[NH+]1CCC(C[NH2+]C[C@H](O)C[C@](C)(O)C2CC2)CC1 ZINC000634700527 357371053 /nfs/dbraw/zinc/37/10/53/357371053.db2.gz BBOQJQQKTXIFTR-CVEARBPZSA-N 2 0 284.444 1.220 10 0 CDAERP C[C@H]([NH2+]C[C@@H](O)C[C@](C)(O)C1CC1)C1=CC[N@H+](C)CC1 ZINC000634710767 357406294 /nfs/dbraw/zinc/40/62/94/357406294.db2.gz DSKHMKIOUFFUOF-RCBQFDQVSA-N 2 0 282.428 1.138 10 0 CDAERP C[C@](O)(C[C@@H](O)C[NH2+]CC1CC[NH+](C2CC2)CC1)C1CC1 ZINC000634713604 357413888 /nfs/dbraw/zinc/41/38/88/357413888.db2.gz YTGAGEGABRBNSE-SJORKVTESA-N 2 0 296.455 1.362 10 0 CDAERP C[C@H]1C[C@H](C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)CCO1 ZINC000349062048 291121146 /nfs/dbraw/zinc/12/11/46/291121146.db2.gz LCMHWXGGOXCUIV-JKSUJKDBSA-N 2 0 297.487 1.759 10 0 CDAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3[NH2+]CCCC3(C)C)CC[C@H]21 ZINC000261595685 358105050 /nfs/dbraw/zinc/10/50/50/358105050.db2.gz IKHWLDJFXFWTHL-KFWWJZLASA-N 2 0 293.455 1.707 10 0 CDAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634745803 358201253 /nfs/dbraw/zinc/20/12/53/358201253.db2.gz TVJGUSATENIACL-DARAHFNDSA-N 2 0 279.428 1.317 10 0 CDAERP C[C@@H](CN[C@H]1CCC[NH2+]CC1)C[NH+]1CCCCC1 ZINC000129163638 295974354 /nfs/dbraw/zinc/97/43/54/295974354.db2.gz GKSPKVPEUNAAGG-GJZGRUSLSA-N 2 0 253.434 1.840 10 0 CDAERP C[C@@H]1CCC[C@@](CNC(=O)C2([NH3+])CCOCC2)([NH+](C)C)C1 ZINC000132223742 358531908 /nfs/dbraw/zinc/53/19/08/358531908.db2.gz FFVJNMIJHHUUNS-UKRRQHHQSA-N 2 0 297.443 1.121 10 0 CDAERP c1ccc(CN2CC[C@@H]([NH2+][C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000133674694 358624240 /nfs/dbraw/zinc/62/42/40/358624240.db2.gz USGYYYWBDXDWKA-IAGOWNOFSA-N 2 0 273.424 1.993 10 0 CDAERP Brc1cc(C[NH2+]CC2CC[NH2+]CC2)ccn1 ZINC000095092328 358677950 /nfs/dbraw/zinc/67/79/50/358677950.db2.gz FWYDIPOGPDOJFI-UHFFFAOYSA-N 2 0 284.201 1.933 10 0 CDAERP O=C(C[C@@H]1CCC[NH2+]C1)NC1CC[NH+](C2CC2)CC1 ZINC000054307358 358711440 /nfs/dbraw/zinc/71/14/40/358711440.db2.gz DDRCMUGEVKMYGB-LBPRGKRZSA-N 2 0 265.401 1.119 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000062972761 358814368 /nfs/dbraw/zinc/81/43/68/358814368.db2.gz PPTKAGICYCKSRX-ZIAGYGMSSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C[NH+](C[C@H](C)O)C(C)C)C[N@@H+](C[C@H](C)O)C(C)C ZINC000346639141 359033989 /nfs/dbraw/zinc/03/39/89/359033989.db2.gz HWHSRPPYWWWXMY-HOTGVXAUSA-N 2 0 288.476 1.805 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)Cc2cnc(N)s2)[C@H](C)C1 ZINC000261879660 359074945 /nfs/dbraw/zinc/07/49/45/359074945.db2.gz QTOKGJFVVHPYCF-PWSUYJOCSA-N 2 0 268.430 1.887 10 0 CDAERP CCCC(=O)N[C@H]1CCCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261927898 359092550 /nfs/dbraw/zinc/09/25/50/359092550.db2.gz CJIQUQSONUXJNA-ZFWWWQNUSA-N 2 0 267.417 1.367 10 0 CDAERP C[NH+](C)CCN(C(=O)CN1CC(C)(C)C1)c1ccccc1 ZINC000572374879 359180018 /nfs/dbraw/zinc/18/00/18/359180018.db2.gz CVTNQBZDEOGVIK-UHFFFAOYSA-N 2 0 289.423 1.923 10 0 CDAERP Cc1nc(C)n(C[C@@H]2CCC[N@H+](C[C@@]3(C)CC[NH2+]C3)C2)n1 ZINC000262027011 359124414 /nfs/dbraw/zinc/12/44/14/359124414.db2.gz NRRJZZNTMADCBX-CVEARBPZSA-N 2 0 291.443 1.607 10 0 CDAERP C[C@@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)C[C@H]1n1ccnc1 ZINC000262101804 359134491 /nfs/dbraw/zinc/13/44/91/359134491.db2.gz VPYSQVZZOVOSMU-RBSFLKMASA-N 2 0 262.401 1.766 10 0 CDAERP Fc1cccc(F)c1N1CC[C@@H](N[C@@H]2CCC[NH2+]C2)C1 ZINC000335252971 359136851 /nfs/dbraw/zinc/13/68/51/359136851.db2.gz UKZIPSJINKEBEZ-VXGBXAGGSA-N 2 0 281.350 1.885 10 0 CDAERP O=C(CN1CC[C@]2(CC[NH2+]C2)C1)NC1CCCCC1 ZINC000261608220 359459168 /nfs/dbraw/zinc/45/91/68/359459168.db2.gz RTFNWHBEFBUTFJ-HNNXBMFYSA-N 2 0 265.401 1.121 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000422921441 359676532 /nfs/dbraw/zinc/67/65/32/359676532.db2.gz PTXSDNRYLOIEBX-LOWDOPEQSA-N 2 0 253.390 1.103 10 0 CDAERP CC(C)[C@H](O)C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422993718 359704933 /nfs/dbraw/zinc/70/49/33/359704933.db2.gz UASDOAPILQSCQN-NWANDNLSSA-N 2 0 250.386 1.551 10 0 CDAERP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)C1 ZINC000423165922 359754832 /nfs/dbraw/zinc/75/48/32/359754832.db2.gz BTNMKVKKEMFWLA-KBMXLJTQSA-N 2 0 281.444 1.075 10 0 CDAERP C(C[NH2+][C@H]1CC[C@H]1C1CCC1)CN1CC[NH2+]CC1 ZINC000423184232 359756784 /nfs/dbraw/zinc/75/67/84/359756784.db2.gz LXHLGHCJNBAAOK-GJZGRUSLSA-N 2 0 251.418 1.450 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccccc1-n1ccnc1 ZINC000422971032 359728084 /nfs/dbraw/zinc/72/80/84/359728084.db2.gz XUIVBPLCXCPWEH-HNNXBMFYSA-N 2 0 288.395 1.716 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@H](C)CC(=O)N(C)c1ccccc1 ZINC000423446531 359793553 /nfs/dbraw/zinc/79/35/53/359793553.db2.gz OHBAUDPEGGNPQY-JHJVBQTASA-N 2 0 263.385 1.753 10 0 CDAERP CCc1ccccc1[C@H]([NH3+])CN[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000423498275 359822994 /nfs/dbraw/zinc/82/29/94/359822994.db2.gz HWJFSBQQDRQRDD-APHBMKBZSA-N 2 0 261.413 1.789 10 0 CDAERP C[C@H](CCC[NH3+])[NH2+][C@H](c1cnn[nH]1)c1ccc(F)cc1 ZINC000423464964 359801764 /nfs/dbraw/zinc/80/17/64/359801764.db2.gz WDZWCZVAZULRQW-YGRLFVJLSA-N 2 0 277.347 1.750 10 0 CDAERP OC[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccnc1 ZINC000348209635 359881540 /nfs/dbraw/zinc/88/15/40/359881540.db2.gz ZKIAYARHGMGWMB-JYJNAYRXSA-N 2 0 275.396 1.374 10 0 CDAERP C[C@@H](C(=O)N1CCCCC1)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000335321613 359904138 /nfs/dbraw/zinc/90/41/38/359904138.db2.gz MGKSODVTLXYBKP-GOEBONIOSA-N 2 0 279.428 1.415 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCN(C)C(=O)C2)[C@H](C)C1 ZINC000424326108 360006875 /nfs/dbraw/zinc/00/68/75/360006875.db2.gz NHVROFGANUEYGB-RDBSUJKOSA-N 2 0 267.417 1.175 10 0 CDAERP O=C([C@@H]1CCCC[NH2+]1)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000373039431 296009080 /nfs/dbraw/zinc/00/90/80/296009080.db2.gz FTMCUZSKWDJBHI-GJZGRUSLSA-N 2 0 279.428 1.605 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)CCO1 ZINC000352618464 363743443 /nfs/dbraw/zinc/74/34/43/363743443.db2.gz QQXGVGZEWGKMBN-WRQOLXDDSA-N 2 0 296.455 1.985 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000335603629 360537999 /nfs/dbraw/zinc/53/79/99/360537999.db2.gz BVELNOBUBSFPIR-JQWIXIFHSA-N 2 0 282.432 1.427 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000626935139 360654057 /nfs/dbraw/zinc/65/40/57/360654057.db2.gz YAKZIVRFTOOXOR-ZQDZILKHSA-N 2 0 296.459 1.404 10 0 CDAERP COc1cc(CN2C[C@H](C)[C@@H](C[NH3+])C2)cc2c1OCO2 ZINC000634999876 360639705 /nfs/dbraw/zinc/63/97/05/360639705.db2.gz BLBVIFMNJPOYAF-JQWIXIFHSA-N 2 0 278.352 1.451 10 0 CDAERP C[C@H](CNC(=O)N[C@H]1CC[C@H](C)[NH2+]C1)[NH+]1CCC(C)CC1 ZINC000626953261 360698001 /nfs/dbraw/zinc/69/80/01/360698001.db2.gz OLYBIHPCTNICOI-ZNMIVQPWSA-N 2 0 296.459 1.547 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000246581890 360887192 /nfs/dbraw/zinc/88/71/92/360887192.db2.gz VQSNVNJVBUMSEL-ZOBORPQBSA-N 2 0 267.417 1.445 10 0 CDAERP C[N@@H+]1CC[C@H](N[C@@H]2CCC[NH2+]CC2)[C@@H]2CCC[C@@H]21 ZINC000643522270 361015149 /nfs/dbraw/zinc/01/51/49/361015149.db2.gz KSMVUWHACJKEBI-QPSCCSFWSA-N 2 0 251.418 1.591 10 0 CDAERP CCN1CC[C@H]([NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000389191686 361266712 /nfs/dbraw/zinc/26/67/12/361266712.db2.gz VIZQEJVIDSIMRZ-DCAQKATOSA-N 2 0 266.307 1.780 10 0 CDAERP CCc1ncc(CN2CC[C@H]3[NH2+]CC[C@H]3C2)s1 ZINC000336565741 363751909 /nfs/dbraw/zinc/75/19/09/363751909.db2.gz CCBVEDIEHIRVKX-CMPLNLGQSA-N 2 0 251.399 1.889 10 0 CDAERP O[C@@H](CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(F)F ZINC000639379214 361485767 /nfs/dbraw/zinc/48/57/67/361485767.db2.gz YTSGUQNLKPTUBB-ZDUSSCGKSA-N 2 0 285.338 1.656 10 0 CDAERP C[NH+]1CCN(C[C@H](O)C[NH2+]CC(C)(C)C2=CCCC2)CC1 ZINC000568620740 294068552 /nfs/dbraw/zinc/06/85/52/294068552.db2.gz OXZPSFRECQYCCP-MRXNPFEDSA-N 2 0 295.471 1.321 10 0 CDAERP C[NH+]1CCC(CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000352862483 364072883 /nfs/dbraw/zinc/07/28/83/364072883.db2.gz AWRSBFPWYDMUJS-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H](CCNC(=O)N[C@@H](C)[C@H](C)[NH3+])[NH+]1CCCCC1 ZINC000417993891 364119522 /nfs/dbraw/zinc/11/95/22/364119522.db2.gz BKUWRCDZEOPPSH-AGIUHOORSA-N 2 0 270.421 1.286 10 0 CDAERP CCO[C@@H]1C[C@@H]([NH2+]C[C@](C)(O)C[NH+](C)C)C12CCC2 ZINC000300414932 364284553 /nfs/dbraw/zinc/28/45/53/364284553.db2.gz PBOYTDLSRJMAHO-MCIONIFRSA-N 2 0 270.417 1.236 10 0 CDAERP C[C@H]([NH3+])CCC(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000248864030 364311267 /nfs/dbraw/zinc/31/12/67/364311267.db2.gz MSUXSBJQHZNECX-BFHYXJOUSA-N 2 0 285.432 1.119 10 0 CDAERP Cc1nc(F)ccc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000278424019 366858643 /nfs/dbraw/zinc/85/86/43/366858643.db2.gz RBCYTCUWFLFVET-UHFFFAOYSA-N 2 0 281.375 1.731 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCNC(=O)c2ccco2)[C@@H]2CCC[C@@H]21 ZINC000367603222 364692088 /nfs/dbraw/zinc/69/20/88/364692088.db2.gz YLUSBQUHIUPJOP-IHRRRGAJSA-N 2 0 291.395 1.472 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCC[NH+]2C2CC2)C1 ZINC000582250619 364882357 /nfs/dbraw/zinc/88/23/57/364882357.db2.gz XHNCHLMFFHVRFO-HIFRSBDPSA-N 2 0 279.428 1.461 10 0 CDAERP O=C([C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262461132 296075056 /nfs/dbraw/zinc/07/50/56/296075056.db2.gz VXWHVBFINFOLML-MRLBHPIUSA-N 2 0 277.412 1.260 10 0 CDAERP c1c(C[NH2+]CCCN2CC[NH2+]CC2)[nH]nc1-c1ccccc1 ZINC000414778508 241382453 /nfs/dbraw/zinc/38/24/53/241382453.db2.gz IIKQOPWHDVVZTL-UHFFFAOYSA-N 2 0 299.422 1.462 10 0 CDAERP C[NH+](C)CC1(C(=O)NCC[N@H+]2CC=CCC2)CCCCC1 ZINC000357632928 367114226 /nfs/dbraw/zinc/11/42/26/367114226.db2.gz KGRXUBOTMGIMMK-UHFFFAOYSA-N 2 0 293.455 1.877 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000626965636 367099908 /nfs/dbraw/zinc/09/99/08/367099908.db2.gz JYUNQMRWVRBJFL-AGIUHOORSA-N 2 0 270.421 1.156 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000626965343 367100496 /nfs/dbraw/zinc/10/04/96/367100496.db2.gz AAVUCBBXRJHGRK-OLZOCXBDSA-N 2 0 282.432 1.301 10 0 CDAERP CCC[NH+]1CCN(c2ccccc2CN[C@@H](C)C[NH3+])CC1 ZINC000414942805 370834030 /nfs/dbraw/zinc/83/40/30/370834030.db2.gz KTZDRPREIXDNEO-HNNXBMFYSA-N 2 0 290.455 1.655 10 0 CDAERP Cc1ncccc1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415058187 241537115 /nfs/dbraw/zinc/53/71/15/241537115.db2.gz SXSGOTQMFKNRFU-UHFFFAOYSA-N 2 0 288.439 1.696 10 0 CDAERP Cn1ncc(Br)c1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414839943 367163440 /nfs/dbraw/zinc/16/34/40/367163440.db2.gz WUFHHGRKKQBNBA-VIFPVBQESA-N 2 0 287.205 1.272 10 0 CDAERP O=C(NC[C@H]1CCC[N@@H+](C2CCCC2)C1)[C@H]1CCC[NH2+]1 ZINC000225333968 367269284 /nfs/dbraw/zinc/26/92/84/367269284.db2.gz DUXYZAIHGIUZEG-UKRRQHHQSA-N 2 0 279.428 1.509 10 0 CDAERP C[C@]1(C[NH3+])CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000261673531 291379043 /nfs/dbraw/zinc/37/90/43/291379043.db2.gz AGYPCDOXBWKBMG-UKTARXLSSA-N 2 0 265.401 1.104 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000627037778 367282287 /nfs/dbraw/zinc/28/22/87/367282287.db2.gz BZFHLIXMXDEJMD-MELADBBJSA-N 2 0 284.448 1.547 10 0 CDAERP C[C@H]1CC[C@H](NC(=O)NCC2([NH3+])CCCCC2)C[NH2+]1 ZINC000627068204 367337741 /nfs/dbraw/zinc/33/77/41/367337741.db2.gz KHIQEQRVUIIJBB-RYUDHWBXSA-N 2 0 268.405 1.088 10 0 CDAERP C[C@]1(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC[NH2+]C1 ZINC000261880747 291380858 /nfs/dbraw/zinc/38/08/58/291380858.db2.gz QVPKVECXAKDDNN-OIISXLGYSA-N 2 0 277.456 1.935 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627042385 367293365 /nfs/dbraw/zinc/29/33/65/367293365.db2.gz ZTCRRMHRHCSQSX-BFHYXJOUSA-N 2 0 284.448 1.547 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccc(C[NH3+])cc1F ZINC000627111750 367463915 /nfs/dbraw/zinc/46/39/15/367463915.db2.gz TWIORTPTQMIROF-UONOGXRCSA-N 2 0 294.374 1.224 10 0 CDAERP CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627131330 367530587 /nfs/dbraw/zinc/53/05/87/367530587.db2.gz MCUKHMQOVSARIV-ZDUSSCGKSA-N 2 0 282.432 1.253 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(C2CC2)CC1 ZINC000358270885 367562933 /nfs/dbraw/zinc/56/29/33/367562933.db2.gz GEQVTSQFEBKFET-HNNXBMFYSA-N 2 0 294.443 1.350 10 0 CDAERP CC1CC[NH+](CCNC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000417003202 242260486 /nfs/dbraw/zinc/26/04/86/242260486.db2.gz BGDREPHZURUXDY-KBPBESRZSA-N 2 0 282.432 1.016 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NC1(C)CC[NH2+]CC1 ZINC000417012916 242269500 /nfs/dbraw/zinc/26/95/00/242269500.db2.gz YAAIHBNNQVQUKE-GFCCVEGCSA-N 2 0 270.421 1.158 10 0 CDAERP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCCC[NH3+])C1 ZINC000417048251 242292053 /nfs/dbraw/zinc/29/20/53/242292053.db2.gz REUVREBHBYMZDL-ZIAGYGMSSA-N 2 0 284.448 1.393 10 0 CDAERP C[C@H]1CC[C@H](NC(=O)NC(C)(C)CCC[NH+](C)C)C[NH2+]1 ZINC000627208946 367707515 /nfs/dbraw/zinc/70/75/15/367707515.db2.gz ZZIKWNCGVQRWOY-STQMWFEESA-N 2 0 284.448 1.547 10 0 CDAERP CCCN(CC[NH+](CC)CC)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627204045 367698566 /nfs/dbraw/zinc/69/85/66/367698566.db2.gz ARVVLBYUBZEYDK-GJZGRUSLSA-N 2 0 298.475 1.890 10 0 CDAERP CCS(=O)(=O)C[C@H](C)NCC1([NH3+])CCCCCC1 ZINC000414859335 367772798 /nfs/dbraw/zinc/77/27/98/367772798.db2.gz MKPPOEDAXOJPOX-LBPRGKRZSA-N 2 0 276.446 1.451 10 0 CDAERP C[NH+](C)C[C@@H](NC(=O)CCC1C[NH2+]C1)c1ccccc1 ZINC000638053583 367858033 /nfs/dbraw/zinc/85/80/33/367858033.db2.gz JSQJGWBQHLXINZ-OAHLLOKOSA-N 2 0 275.396 1.405 10 0 CDAERP Cc1ccc(CN(CC[NH+](C)C)C(=O)NCCC[NH3+])o1 ZINC000418308283 242923306 /nfs/dbraw/zinc/92/33/06/242923306.db2.gz GAQKJCPSKMIUCR-UHFFFAOYSA-N 2 0 282.388 1.010 10 0 CDAERP [NH3+][C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000418442315 243082830 /nfs/dbraw/zinc/08/28/30/243082830.db2.gz DINDBIAECORJMG-ILXRZTDVSA-N 2 0 288.395 1.222 10 0 CDAERP [NH3+][C@@H](CNC(=O)NCCC1=CC[NH2+]CC1)c1ccccc1 ZINC000418457815 243100860 /nfs/dbraw/zinc/10/08/60/243100860.db2.gz WAZAXJFEZPMEKF-HNNXBMFYSA-N 2 0 288.395 1.295 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)CC[N@@H+]1C ZINC000631710059 368560790 /nfs/dbraw/zinc/56/07/90/368560790.db2.gz OLAPQIWDAAINON-MYZSUADSSA-N 2 0 279.428 1.458 10 0 CDAERP CC[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)[NH+](C)C ZINC000360971781 368579129 /nfs/dbraw/zinc/57/91/29/368579129.db2.gz XACKWQSDQTUQQQ-STQMWFEESA-N 2 0 253.390 1.022 10 0 CDAERP CC(C)=CCC[C@H](C)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000567228479 370923233 /nfs/dbraw/zinc/92/32/33/370923233.db2.gz VPJVRQZZBSKCAX-HOTGVXAUSA-N 2 0 283.460 1.319 10 0 CDAERP CC[NH+](C/C=C\C[N@@H+](CC)[C@@H]1CCOC1)[C@@H]1CCOC1 ZINC000361587976 368917861 /nfs/dbraw/zinc/91/78/61/368917861.db2.gz CWAYFIDRNLOALL-ILNYKDOHSA-N 2 0 282.428 1.764 10 0 CDAERP NC(=O)C[C@@H]1CCCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420304462 244055096 /nfs/dbraw/zinc/05/50/96/244055096.db2.gz ONTYRYFZGPXLII-OLZOCXBDSA-N 2 0 253.390 1.106 10 0 CDAERP C[N@@H+]1CC[C@H](NCCC[NH+]2CCCC2)[C@H]2CCC[C@@H]21 ZINC000367621314 369199504 /nfs/dbraw/zinc/19/95/04/369199504.db2.gz ZZVUCVANJIVOKD-PMPSAXMXSA-N 2 0 265.445 1.935 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2(N3CCOCC3)CC2)[C@@H]2CCC[C@H]21 ZINC000367627542 369201369 /nfs/dbraw/zinc/20/13/69/369201369.db2.gz UEGLZDRLNFSAOR-HRCADAONSA-N 2 0 293.455 1.314 10 0 CDAERP Cn1cc(CCC[NH2+][C@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cn1 ZINC000367748467 369234713 /nfs/dbraw/zinc/23/47/13/369234713.db2.gz ZWXUPKMSFIGEPS-HRCADAONSA-N 2 0 276.428 1.815 10 0 CDAERP C[N@H+](Cc1cn(C[C@H]2CCC[NH2+]2)nn1)C1CCCCC1 ZINC000630603873 369376003 /nfs/dbraw/zinc/37/60/03/369376003.db2.gz LNXQRUYOTCKEPX-CYBMUJFWSA-N 2 0 277.416 1.795 10 0 CDAERP COC(=O)c1cc(CN2CC[C@@H](C[NH+](C)C)C2)c(C)o1 ZINC000546601281 369403878 /nfs/dbraw/zinc/40/38/78/369403878.db2.gz JCKLBNRQKYSLND-LBPRGKRZSA-N 2 0 280.368 1.758 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](C)CC[NH3+] ZINC000414897001 369461140 /nfs/dbraw/zinc/46/11/40/369461140.db2.gz QPPCTKYCJJUQDF-NSHDSACASA-N 3 0 259.357 1.403 10 0 CDAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000414946884 370956946 /nfs/dbraw/zinc/95/69/46/370956946.db2.gz UTTTZSAENCYLPO-LJISPDSOSA-N 2 0 253.434 1.885 10 0 CDAERP C[NH+](C)[C@H]1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000170832009 369521754 /nfs/dbraw/zinc/52/17/54/369521754.db2.gz KSWHFLRABROHSB-HNNXBMFYSA-N 2 0 294.443 1.206 10 0 CDAERP COCCN1CC[C@@H]([NH2+]CC[C@@H](O)c2ccccc2)C1 ZINC000289562066 369572663 /nfs/dbraw/zinc/57/26/63/369572663.db2.gz YRZYIRDNLBKROV-HZPDHXFCSA-N 2 0 278.396 1.420 10 0 CDAERP C[C@@H]([NH3+])C(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000168592795 370203151 /nfs/dbraw/zinc/20/31/51/370203151.db2.gz KMYVORXTFUVYAW-GHMZBOCLSA-N 2 0 297.349 1.393 10 0 CDAERP CC[C@H](Cn1cncn1)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000340466852 371063958 /nfs/dbraw/zinc/06/39/58/371063958.db2.gz NRICZFABEXEBPM-UONOGXRCSA-N 2 0 265.405 1.378 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCC[NH+]2C)C1 ZINC000123315909 371390835 /nfs/dbraw/zinc/39/08/35/371390835.db2.gz IIIMHDOJEAZDIT-CABCVRRESA-N 2 0 296.459 1.358 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCC[NH+]2C)C1 ZINC000123316119 371390962 /nfs/dbraw/zinc/39/09/62/371390962.db2.gz IIIMHDOJEAZDIT-GJZGRUSLSA-N 2 0 296.459 1.358 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCN2CCCC2=O)[C@H]2CCC[C@@H]21 ZINC000580560122 372023107 /nfs/dbraw/zinc/02/31/07/372023107.db2.gz PYZDUERPPAEDAC-RDBSUJKOSA-N 2 0 265.401 1.071 10 0 CDAERP C[C@@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)[NH+]1CCCCCC1 ZINC000173977885 372530258 /nfs/dbraw/zinc/53/02/58/372530258.db2.gz DVYIOGSOKMKALJ-UONOGXRCSA-N 2 0 267.417 1.413 10 0 CDAERP C[C@H]([NH2+]C[C@H](O)C(F)(F)F)C1=CC[N@H+](C)CC1 ZINC000514668817 372723671 /nfs/dbraw/zinc/72/36/71/372723671.db2.gz NSKDXZYKOFXSRC-WPRPVWTQSA-N 2 0 252.280 1.150 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H]([NH3+])C1 ZINC000333138476 205064665 /nfs/dbraw/zinc/06/46/65/205064665.db2.gz CRLXNGQAPKTVIE-UONOGXRCSA-N 2 0 282.432 1.240 10 0 CDAERP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)[C@H](C)OC)CC[NH2+]CC1 ZINC000423143278 245602997 /nfs/dbraw/zinc/60/29/97/245602997.db2.gz WVCNROWXHRMPTN-FRRDWIJNSA-N 2 0 286.416 1.321 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](CO)Cc1ccc(C)c(C)c1 ZINC000423162677 245623028 /nfs/dbraw/zinc/62/30/28/245623028.db2.gz LNXIMSOPCLKTMH-DLBZAZTESA-N 2 0 294.439 1.550 10 0 CDAERP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000333406779 205294045 /nfs/dbraw/zinc/29/40/45/205294045.db2.gz QSBVGILIDAKFHZ-DRPJVOAASA-N 2 0 287.407 1.328 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000333444309 205325906 /nfs/dbraw/zinc/32/59/06/205325906.db2.gz WNYIYTLQVDIDED-ZNMIVQPWSA-N 2 0 296.459 1.486 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2CCC[NH2+]CC2)cc1 ZINC000638762336 373527636 /nfs/dbraw/zinc/52/76/36/373527636.db2.gz ZVJCUSGUUBHJAB-SWLSCSKDSA-N 2 0 290.411 1.648 10 0 CDAERP O[C@@H]1C[N@H+](CCCn2ccnc2)C[C@H]1Oc1ccccc1 ZINC000639930461 373716314 /nfs/dbraw/zinc/71/63/14/373716314.db2.gz VJBLLOIVWXUQSY-HZPDHXFCSA-N 2 0 287.363 1.397 10 0 CDAERP Cc1cc(NC[C@H]2CN(C3CC3)CCO2)nc(C2CC2)n1 ZINC000116261796 374536560 /nfs/dbraw/zinc/53/65/60/374536560.db2.gz SQGUTROQSJQPPR-AWEZNQCLSA-N 2 0 288.395 1.938 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)N1CC([N@H+](C)Cc2ccccc2)C1 ZINC000418718342 374540773 /nfs/dbraw/zinc/54/07/73/374540773.db2.gz IIRQJIVVCXXYDU-STQMWFEESA-N 2 0 290.411 1.248 10 0 CDAERP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cncn1C(C)C ZINC000424145990 246355277 /nfs/dbraw/zinc/35/52/77/246355277.db2.gz ONZNZKKLAIJTSR-HNNXBMFYSA-N 2 0 282.432 1.910 10 0 CDAERP CCC(C)(C)CC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649687444 541992998 /nfs/dbraw/zinc/99/29/98/541992998.db2.gz RCEIAYACVPHLBQ-UHFFFAOYSA-N 2 0 269.433 1.519 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)CC[N@@H+]1C ZINC000633202596 375684585 /nfs/dbraw/zinc/68/45/85/375684585.db2.gz UNQLPRIEUBKLIS-RQJABVFESA-N 2 0 267.417 1.268 10 0 CDAERP C[N@H+]1C[C@H]2CN(CC(=O)NCC3CCCCC3)C[C@H]2C1 ZINC000193657818 375890250 /nfs/dbraw/zinc/89/02/50/375890250.db2.gz BSSBIZYHKOIKSP-GASCZTMLSA-N 2 0 279.428 1.176 10 0 CDAERP CC(C)=CC[NH2+]C1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001662126585 1172486022 /nfs/dbraw/zinc/48/60/22/1172486022.db2.gz MLDCOGXAOXGNJK-UHFFFAOYSA-N 2 0 281.444 1.921 10 0 CDAERP C[NH+](C)CC[C@@](C)(O)CNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000419991083 376213556 /nfs/dbraw/zinc/21/35/56/376213556.db2.gz GNLJGSNCBBZFSD-GDBMZVCRSA-N 2 0 299.459 1.070 10 0 CDAERP CC[NH+](CC)CCNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000431518515 247803978 /nfs/dbraw/zinc/80/39/78/247803978.db2.gz KVSXKRJFLXITQT-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+]([C@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC000631823472 376649460 /nfs/dbraw/zinc/64/94/60/376649460.db2.gz FPIIZPGREHBJRY-NGFQHRJXSA-N 2 0 277.412 1.199 10 0 CDAERP O=C1[C@@H]([NH+]2CCC3(CC[NH2+]C3)CC2)CCN1C1CCC1 ZINC000631826663 376658027 /nfs/dbraw/zinc/65/80/27/376658027.db2.gz TZRBXKAMYZVBAE-AWEZNQCLSA-N 2 0 277.412 1.215 10 0 CDAERP FC(F)[C@@H]1CC[N@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000631866503 376747750 /nfs/dbraw/zinc/74/77/50/376747750.db2.gz ZLJHMIQVOACANQ-LBPRGKRZSA-N 2 0 262.344 1.732 10 0 CDAERP C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)OC1CCOCC1 ZINC000631891370 376787465 /nfs/dbraw/zinc/78/74/65/376787465.db2.gz YJLHEWATLWMVPJ-DZGCQCFKSA-N 2 0 268.401 1.256 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N2C[C@H](C[NH3+])C[C@@H]2C)CC1 ZINC000417396624 376822413 /nfs/dbraw/zinc/82/24/13/376822413.db2.gz WAPADLYSKCYKBW-ZFWWWQNUSA-N 2 0 296.459 1.487 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH2+]CCNC(=O)c2ccccc2)[C@@H](C)C1 ZINC000247085572 377046564 /nfs/dbraw/zinc/04/65/64/377046564.db2.gz RFJJPMBBHLABLI-GOEBONIOSA-N 2 0 289.423 1.736 10 0 CDAERP CC[N@@H+]1CCN(Cc2cncn2C(C)C)[C@@H](C)C1 ZINC000425386100 376990509 /nfs/dbraw/zinc/99/05/09/376990509.db2.gz SJTCVHDBISKHBC-ZDUSSCGKSA-N 2 0 250.390 1.990 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417445589 377158704 /nfs/dbraw/zinc/15/87/04/377158704.db2.gz HPOXXTFCFCYTNA-TZMCWYRMSA-N 2 0 282.432 1.253 10 0 CDAERP CCCCOC[C@H](O)C[N@@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000248653793 377297984 /nfs/dbraw/zinc/29/79/84/377297984.db2.gz OTQCFBHOGCMVLQ-XHSDSOJGSA-N 2 0 295.427 1.944 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001662244681 1172516140 /nfs/dbraw/zinc/51/61/40/1172516140.db2.gz QOYZVVZQJSLELZ-LSDHHAIUSA-N 2 0 281.444 1.921 10 0 CDAERP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000334935642 377705236 /nfs/dbraw/zinc/70/52/36/377705236.db2.gz NXBFWKLYQYNMKJ-KBPBESRZSA-N 2 0 296.459 1.807 10 0 CDAERP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261754042 377897878 /nfs/dbraw/zinc/89/78/78/377897878.db2.gz LJIOEKJRUDYSGI-LSDHHAIUSA-N 2 0 297.443 1.073 10 0 CDAERP c1csc(C[NH+]2CCC(CNC3=[NH+]CCCN3)CC2)c1 ZINC000261754490 377897890 /nfs/dbraw/zinc/89/78/90/377897890.db2.gz KOTBSAZRSKTCPZ-UHFFFAOYSA-N 2 0 292.452 1.899 10 0 CDAERP CC(C)[C@H]1CN(C(=O)N[C@@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1C ZINC000633093807 378117747 /nfs/dbraw/zinc/11/77/47/378117747.db2.gz UFWNSMGAABOKFN-RRFJBIMHSA-N 2 0 296.459 1.451 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000193298995 378287069 /nfs/dbraw/zinc/28/70/69/378287069.db2.gz ULEAHQPFBFMOEK-HZSPNIEDSA-N 2 0 269.433 1.598 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000193302725 378287846 /nfs/dbraw/zinc/28/78/46/378287846.db2.gz BJPZDOVZMSPYSB-KGLIPLIRSA-N 2 0 267.417 1.591 10 0 CDAERP C[C@H]([NH2+][C@H]1CC(=O)N(CC[NH+](C)C)C1=O)c1ccccc1 ZINC000580341534 378578429 /nfs/dbraw/zinc/57/84/29/378578429.db2.gz DAXNBLYCMXJQRB-JSGCOSHPSA-N 2 0 289.379 1.026 10 0 CDAERP C[NH+](C)CCC[C@@H]1C[N@H+](CCCn2ccnc2)CCO1 ZINC000662325681 412895476 /nfs/dbraw/zinc/89/54/76/412895476.db2.gz PJXUMRPFWSEEDI-OAHLLOKOSA-N 2 0 280.416 1.316 10 0 CDAERP CC[C@@](C)(O)C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000444603435 250152428 /nfs/dbraw/zinc/15/24/28/250152428.db2.gz TVISMGLGKGDRKJ-HUUCEWRRSA-N 2 0 254.418 1.811 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C1CCSCC1 ZINC000657573995 412908027 /nfs/dbraw/zinc/90/80/27/412908027.db2.gz SHMBWWBMIQCFQA-ZDUSSCGKSA-N 2 0 273.490 1.744 10 0 CDAERP CC(C)[C@H]1CN(C(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)CC[N@@H+]1C ZINC000634300794 379359450 /nfs/dbraw/zinc/35/94/50/379359450.db2.gz LZVZKQSPGVYHSX-RBSFLKMASA-N 2 0 279.428 1.316 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCC1([NH+](C)C)CCC1 ZINC000437933246 296311588 /nfs/dbraw/zinc/31/15/88/296311588.db2.gz KNMFXYJNNUTNPJ-CQSZACIVSA-N 2 0 296.459 1.644 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655932557 412947157 /nfs/dbraw/zinc/94/71/57/412947157.db2.gz XKEWDCVLSKMZIN-UWVGGRQHSA-N 2 0 296.337 1.002 10 0 CDAERP CCCC[C@@H](C[NH3+])NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655963681 412972564 /nfs/dbraw/zinc/97/25/64/412972564.db2.gz QHSFRUAKXQMLPV-RWMBFGLXSA-N 2 0 270.421 1.143 10 0 CDAERP Cc1nc(NC[C@H]2CC[N@@H+](CC(C)C)C2)nc(N(C)C)n1 ZINC000490081408 253028392 /nfs/dbraw/zinc/02/83/92/253028392.db2.gz RIYJCYYLLQNNEG-CYBMUJFWSA-N 2 0 292.431 1.058 10 0 CDAERP CC(C)([NH3+])c1cc(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])on1 ZINC000662423050 412998586 /nfs/dbraw/zinc/99/85/86/412998586.db2.gz MMTKAINBYSGTBE-ZJUUUORDSA-N 2 0 280.372 1.116 10 0 CDAERP O=C1CC[C@@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)N1 ZINC000657711830 412997294 /nfs/dbraw/zinc/99/72/94/412997294.db2.gz SJCQEGUAOTZJLQ-AWEZNQCLSA-N 2 0 279.428 1.652 10 0 CDAERP CC[NH+]1CCC(CC[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])CC1 ZINC000422778771 285185148 /nfs/dbraw/zinc/18/51/48/285185148.db2.gz DZJNOHOFTZSNJH-CWRNSKLLSA-N 3 0 283.460 1.450 10 0 CDAERP CC[NH+]1CCC(NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)CC1 ZINC000416853557 285188887 /nfs/dbraw/zinc/18/88/87/285188887.db2.gz OCEZBRIZBININX-CQSZACIVSA-N 2 0 280.416 1.007 10 0 CDAERP CC(C)[C@H]([NH3+])CCN(C)C(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662429517 413008888 /nfs/dbraw/zinc/00/88/88/413008888.db2.gz UVINLIBQFQNHBX-SNVBAGLBSA-N 2 0 282.388 1.314 10 0 CDAERP CN1CCN(C(=O)C2CCC(C3CC3)CC2)[C@H](C[NH3+])C1 ZINC000662429034 413008966 /nfs/dbraw/zinc/00/89/66/413008966.db2.gz NPFKLYDBTIHDLN-YMAMQOFZSA-N 2 0 279.428 1.304 10 0 CDAERP COC(=O)[C@@H](C[NH+]1CCC(C[NH3+])CC1)c1ccccc1 ZINC000080960756 177740705 /nfs/dbraw/zinc/74/07/05/177740705.db2.gz FDUXJCAHONMMEP-HNNXBMFYSA-N 2 0 276.380 1.614 10 0 CDAERP COC[C@H](CC1CCOCC1)[NH2+]CCC[NH+](C)C ZINC000657818269 413045227 /nfs/dbraw/zinc/04/52/27/413045227.db2.gz RUUDKEPLQHJRJM-AWEZNQCLSA-N 2 0 258.406 1.359 10 0 CDAERP C[C@@H](CC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)[C@@H]1CCC[NH2+]C1 ZINC000647060713 390383753 /nfs/dbraw/zinc/38/37/53/390383753.db2.gz QHRWXLGKTIDSQA-XUWVNRHRSA-N 2 0 293.455 1.470 10 0 CDAERP [NH3+]CCC[C@@H](NC(=O)C[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000647085023 390394741 /nfs/dbraw/zinc/39/47/41/390394741.db2.gz AWEGKBGVGMMAFO-UKRRQHHQSA-N 2 0 275.396 1.582 10 0 CDAERP C[C@H]1CC[C@H]1NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000358294023 390533076 /nfs/dbraw/zinc/53/30/76/390533076.db2.gz WRNYTCDJKQSWIN-LSDHHAIUSA-N 2 0 298.475 1.700 10 0 CDAERP C[N@@H+]1CC[C@]2(CC[NH+](CC[C@@H]3CCCCO3)C2)C1 ZINC000336427233 390677499 /nfs/dbraw/zinc/67/74/99/390677499.db2.gz MKRWQQJXYVABAV-GJZGRUSLSA-N 2 0 252.402 1.973 10 0 CDAERP C[NH+](C)Cc1ccc(C(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000082287804 390838641 /nfs/dbraw/zinc/83/86/41/390838641.db2.gz ORVRSTDZYWNPQM-HNNXBMFYSA-N 2 0 275.396 1.524 10 0 CDAERP C[C@@H](CCC[NH3+])NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000417946842 391017696 /nfs/dbraw/zinc/01/76/96/391017696.db2.gz ZQCQCLAEQLITSM-HSBZDZAISA-N 2 0 284.448 1.533 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000417753567 391031774 /nfs/dbraw/zinc/03/17/74/391031774.db2.gz UIFXOZJGCRKVKG-ZFWWWQNUSA-N 2 0 296.459 1.487 10 0 CDAERP C[C@@H]([NH3+])C[C@H](C)NC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000647474502 390965514 /nfs/dbraw/zinc/96/55/14/390965514.db2.gz ZDINVBYLCRIXNC-MNOVXSKESA-N 2 0 288.355 1.515 10 0 CDAERP C([C@@H]1CCC[NH2+]C1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647479388 390966617 /nfs/dbraw/zinc/96/66/17/390966617.db2.gz FKPKYEQBIGAIFM-KFWWJZLASA-N 2 0 251.418 1.450 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCNC(=O)c2ccco2)[C@H]2CCC[C@H]21 ZINC000367603221 390997042 /nfs/dbraw/zinc/99/70/42/390997042.db2.gz YLUSBQUHIUPJOP-HZSPNIEDSA-N 2 0 291.395 1.472 10 0 CDAERP COCCN1CCC[C@@H]1C[NH2+]Cc1ccncc1Cl ZINC000527652728 391086982 /nfs/dbraw/zinc/08/69/82/391086982.db2.gz JBUOUQYNELFMOJ-CYBMUJFWSA-N 2 0 283.803 1.935 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)Nc1ccccc1CC[NH+](C)C ZINC000415559303 391174567 /nfs/dbraw/zinc/17/45/67/391174567.db2.gz FEXQYRSVGLNURO-NEPJUHHUSA-N 2 0 278.400 1.648 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C(N)=O)cc2)[C@H]2CCC[C@H]21 ZINC000375782681 391196999 /nfs/dbraw/zinc/19/69/99/391196999.db2.gz MXXLYGNPHLJTNX-OWCLPIDISA-N 2 0 287.407 1.748 10 0 CDAERP CCCCNC(=O)CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647903828 391202232 /nfs/dbraw/zinc/20/22/32/391202232.db2.gz QQRONUFKOSQEOM-GJZGRUSLSA-N 2 0 281.444 1.757 10 0 CDAERP Cc1nc(C)c(C[NH2+]CC2CC[NH+](CCN(C)C)CC2)o1 ZINC000647925091 391320709 /nfs/dbraw/zinc/32/07/09/391320709.db2.gz LGIYYZQVBQHPFQ-UHFFFAOYSA-N 2 0 294.443 1.655 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H]1CC[NH+](C)[C@H]2CCC[C@@H]21 ZINC000353391607 391390450 /nfs/dbraw/zinc/39/04/50/391390450.db2.gz DDGQAYWEHKUTTM-MNLARUNXSA-N 2 0 277.456 1.932 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(O)CCSC2)[C@@H]2CCC[C@@H]21 ZINC000353513930 391395030 /nfs/dbraw/zinc/39/50/30/391395030.db2.gz GCACKIIVNYLBBT-XDQVBPFNSA-N 2 0 270.442 1.317 10 0 CDAERP CN(C)c1ncc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)n1C ZINC000425330283 391398682 /nfs/dbraw/zinc/39/86/82/391398682.db2.gz BFWXOUXTYMTIMH-GXTWGEPZSA-N 2 0 278.400 1.487 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)C1 ZINC000417852731 391509960 /nfs/dbraw/zinc/50/99/60/391509960.db2.gz OHDUPSHDCGHGOO-CFVMTHIKSA-N 2 0 294.443 1.395 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000417856093 391512103 /nfs/dbraw/zinc/51/21/03/391512103.db2.gz RUHSIKMKSZEYEX-GMXVVIOVSA-N 2 0 263.385 1.565 10 0 CDAERP CC[C@H]([NH3+])CNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000418697572 391529189 /nfs/dbraw/zinc/52/91/89/391529189.db2.gz LXCFLSRJGKLPOB-AVGNSLFASA-N 2 0 270.421 1.095 10 0 CDAERP C[C@@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)[C@H](C)[NH3+] ZINC000417810121 391497040 /nfs/dbraw/zinc/49/70/40/391497040.db2.gz NEDMDVNLMSODMK-QWHCGFSZSA-N 2 0 296.459 1.818 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NC1CCC([NH3+])CC1 ZINC000417536140 391643521 /nfs/dbraw/zinc/64/35/21/391643521.db2.gz QCCUYHRZUBZIFX-LMRVLLHPSA-N 2 0 296.459 1.818 10 0 CDAERP OCCC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCC1 ZINC000647793213 391631217 /nfs/dbraw/zinc/63/12/17/391631217.db2.gz PONRYWHSBHSRBM-HZSPNIEDSA-N 2 0 252.402 1.517 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)[C@H](C)C1 ZINC000425511027 391639823 /nfs/dbraw/zinc/63/98/23/391639823.db2.gz CKKPUZCYSUECEV-ZIAGYGMSSA-N 2 0 293.455 1.850 10 0 CDAERP C[C@@H](C[NH2+][C@H]1CN(C)C[C@H]1C)N1CCCC[C@@H]1C ZINC000343282959 391600559 /nfs/dbraw/zinc/60/05/59/391600559.db2.gz LOYDMOPWXRRKTJ-QPSCCSFWSA-N 2 0 253.434 1.789 10 0 CDAERP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@@H](O)C(F)F ZINC000647798874 391661133 /nfs/dbraw/zinc/66/11/33/391661133.db2.gz YLIBAKAEGNZCJA-PZWNZHSQSA-N 2 0 262.344 1.369 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)C[NH+]1CCC(C)CC1 ZINC000137470853 391669981 /nfs/dbraw/zinc/66/99/81/391669981.db2.gz MZQGVXCUHSMQKR-HNNXBMFYSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H](C)[C@H](C)[NH3+] ZINC000415004802 391708864 /nfs/dbraw/zinc/70/88/64/391708864.db2.gz AFTTYEWFKONQGO-WOPDTQHZSA-N 2 0 289.379 1.387 10 0 CDAERP c1ccc(N2CCC([NH2+][C@H]3CCCC[NH2+]C3)CC2)nc1 ZINC000415068346 391743125 /nfs/dbraw/zinc/74/31/25/391743125.db2.gz MRMLROXOOPDYGK-HNNXBMFYSA-N 2 0 274.412 1.782 10 0 CDAERP CCNC(=O)C[C@H]1CCCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000342056630 130226590 /nfs/dbraw/zinc/22/65/90/130226590.db2.gz BRQCXTFADJUPQU-LSDHHAIUSA-N 2 0 281.444 1.851 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H]1CC(N)=O ZINC000120653930 391834445 /nfs/dbraw/zinc/83/44/45/391834445.db2.gz YSYQVRNTENADGO-CHWSQXEVSA-N 2 0 253.390 1.201 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCC[N@@H+]1CCCC[C@@H]1C ZINC000422870394 392269318 /nfs/dbraw/zinc/26/93/18/392269318.db2.gz YSFYSTLYCFOEEJ-AJNGGQMLSA-N 2 0 269.433 1.203 10 0 CDAERP Cc1nn(C)c(C)c1CCC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000423018955 392277971 /nfs/dbraw/zinc/27/79/71/392277971.db2.gz SPJLKAPARPKHHK-HIFRSBDPSA-N 2 0 264.417 1.687 10 0 CDAERP CS[C@@H]1CN(C(=O)c2ccc(C[NH3+])cc2)C[C@H]1[NH+](C)C ZINC000262303854 131209531 /nfs/dbraw/zinc/20/95/31/131209531.db2.gz OFTQVVOAKKDEGE-ZIAGYGMSSA-N 2 0 293.436 1.263 10 0 CDAERP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC1=CCOCC1 ZINC000423156808 392394877 /nfs/dbraw/zinc/39/48/77/392394877.db2.gz LPPXKJOBQWYGAN-XJKSGUPXSA-N 2 0 260.381 1.881 10 0 CDAERP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1=CCOCC1 ZINC000423156806 392395856 /nfs/dbraw/zinc/39/58/56/392395856.db2.gz LPPXKJOBQWYGAN-CJNGLKHVSA-N 2 0 260.381 1.881 10 0 CDAERP CC[C@H]([NH2+]CCC[NH3+])c1ccc2c(c1)OCCO2 ZINC000423183956 392422463 /nfs/dbraw/zinc/42/24/63/392422463.db2.gz SRESLGGCOSDQPJ-LBPRGKRZSA-N 2 0 250.342 1.847 10 0 CDAERP C(C[NH2+][C@@H]1CC[C@H]1C1CCC1)CN1CC[NH2+]CC1 ZINC000423184234 392423411 /nfs/dbraw/zinc/42/34/11/392423411.db2.gz LXHLGHCJNBAAOK-LSDHHAIUSA-N 2 0 251.418 1.450 10 0 CDAERP CC[NH2+]CCN[C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000423235520 392462249 /nfs/dbraw/zinc/46/22/49/392462249.db2.gz NGOZVKBINIOCTO-HOTGVXAUSA-N 2 0 277.412 1.687 10 0 CDAERP C[C@@H](CCCC[NH3+])Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000423238528 392463364 /nfs/dbraw/zinc/46/33/64/392463364.db2.gz VLCOVNLXMQPZPJ-ZDUSSCGKSA-N 2 0 277.416 1.421 10 0 CDAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](COC)CC2CCOCC2)C1 ZINC000657841251 413053152 /nfs/dbraw/zinc/05/31/52/413053152.db2.gz OKCBGPWIALTWJW-JKSUJKDBSA-N 2 0 284.444 1.750 10 0 CDAERP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCC(=O)NC2(C)C)cc1 ZINC000423293410 392492595 /nfs/dbraw/zinc/49/25/95/392492595.db2.gz RHJQEXRNLQCTJI-BXUZGUMPSA-N 2 0 275.396 1.853 10 0 CDAERP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccc(-n2cncn2)cc1 ZINC000423361317 392542079 /nfs/dbraw/zinc/54/20/79/392542079.db2.gz ADDODGGWRCJOBE-XEZPLFJOSA-N 2 0 285.395 1.916 10 0 CDAERP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2C[C@@H](C)[C@H]2C)CC1 ZINC000495054610 393165646 /nfs/dbraw/zinc/16/56/46/393165646.db2.gz VLWIQXYPRPMHCF-MGPQQGTHSA-N 2 0 254.418 1.856 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)[C@@H]1C ZINC000494920981 393131089 /nfs/dbraw/zinc/13/10/89/393131089.db2.gz GIASNPDIYAOPSB-FMKPAKJESA-N 2 0 288.439 1.968 10 0 CDAERP C[NH+](C)CC1(C[NH2+][C@@H]2CCC(=O)NC2(C)C)CCCC1 ZINC000494939328 393135174 /nfs/dbraw/zinc/13/51/74/393135174.db2.gz JXDWERYNNSMBDK-CYBMUJFWSA-N 2 0 281.444 1.755 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](CC)C2)[C@H]1SC ZINC000459395652 393137376 /nfs/dbraw/zinc/13/73/76/393137376.db2.gz UPOYHZQGNPPPSK-IGQOVBAYSA-N 2 0 272.458 1.827 10 0 CDAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CC[C@H]([NH3+])C3)CC[C@@H]21 ZINC000167520516 393419129 /nfs/dbraw/zinc/41/91/29/393419129.db2.gz IBFSGZPHTMOGHG-MQYQWHSLSA-N 2 0 265.401 1.057 10 0 CDAERP C[NH+](C)CC1CCN(c2cc(C(N)=[NH2+])ccn2)CC1 ZINC000042394160 134888378 /nfs/dbraw/zinc/88/83/78/134888378.db2.gz JZKYALNXQOUHFP-UHFFFAOYSA-N 2 0 261.373 1.144 10 0 CDAERP O=C([C@H]1C[C@H](F)C[NH2+]1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000188723064 140099610 /nfs/dbraw/zinc/09/96/10/140099610.db2.gz VPPOHPUCGUVFBS-UONOGXRCSA-N 2 0 283.391 1.021 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188723933 140100127 /nfs/dbraw/zinc/10/01/27/140100127.db2.gz BMHDOXNLQVJXSH-ZIAGYGMSSA-N 2 0 259.353 1.033 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000192101146 140140493 /nfs/dbraw/zinc/14/04/93/140140493.db2.gz MTLOKGKBVHOPKE-RYUDHWBXSA-N 2 0 255.406 1.208 10 0 CDAERP CCn1nc(C)c([C@H](C)[NH2+]CCOCC[NH+](C)C)c1C ZINC000219306719 140166128 /nfs/dbraw/zinc/16/61/28/140166128.db2.gz UXVUBIRSBRGATB-LBPRGKRZSA-N 2 0 282.432 1.749 10 0 CDAERP CCn1cnnc1[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000245622997 140272284 /nfs/dbraw/zinc/27/22/84/140272284.db2.gz OFSFBNFKCPROLG-HUUCEWRRSA-N 2 0 291.443 1.962 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@H](C)[NH+](CC)CC)C1 ZINC000249741523 140297923 /nfs/dbraw/zinc/29/79/23/140297923.db2.gz JMGBSWPSKXTBRJ-LSDHHAIUSA-N 2 0 298.475 1.748 10 0 CDAERP CN1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CCC1=O ZINC000250662799 140305933 /nfs/dbraw/zinc/30/59/33/140305933.db2.gz ZCGSNSMXAIQJDT-KBUPBQIOSA-N 2 0 279.428 1.508 10 0 CDAERP C[C@H]([NH3+])[C@H](C)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261550035 140344983 /nfs/dbraw/zinc/34/49/83/140344983.db2.gz PDTJAULRIAYZNV-DZKIICNBSA-N 2 0 289.423 1.703 10 0 CDAERP Cc1nc(C[C@@H]2CCC[N@H+](C[C@]3(C)CC[NH2+]C3)C2)no1 ZINC000261732989 140382236 /nfs/dbraw/zinc/38/22/36/140382236.db2.gz HKOSSCRZNCYBND-DZGCQCFKSA-N 2 0 278.400 1.632 10 0 CDAERP COc1c(N)ncnc1NCCC[N@H+](C)CC(C)C ZINC000656204534 413104305 /nfs/dbraw/zinc/10/43/05/413104305.db2.gz YDQUSLKOBDBTOF-UHFFFAOYSA-N 2 0 267.377 1.457 10 0 CDAERP CCN(C(=O)N[C@@H]1CC[NH+](CC2CC2)C1)[C@H]1CC[N@H+](C)C1 ZINC000664184806 413129387 /nfs/dbraw/zinc/12/93/87/413129387.db2.gz ZJIDSNHHTXHISO-CABCVRRESA-N 2 0 294.443 1.206 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000662580540 413148082 /nfs/dbraw/zinc/14/80/82/413148082.db2.gz JWUOGVWCTWDFJB-OLZOCXBDSA-N 2 0 255.406 1.208 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)C[C@@H]([NH3+])C(C)C)CC1 ZINC000136402993 483401658 /nfs/dbraw/zinc/40/16/58/483401658.db2.gz YXTUGQCEEZOONT-CYBMUJFWSA-N 2 0 255.406 1.160 10 0 CDAERP CO[C@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)[C@H]1CCOC1 ZINC000658070890 413169784 /nfs/dbraw/zinc/16/97/84/413169784.db2.gz AMCDWHOUVSIFMF-GOEBONIOSA-N 2 0 282.428 1.502 10 0 CDAERP CC[NH+](CC)CC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662597281 413170957 /nfs/dbraw/zinc/17/09/57/413170957.db2.gz XOAPUANSBFENIJ-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP COC[C@H](CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)OC ZINC000658084261 413187544 /nfs/dbraw/zinc/18/75/44/413187544.db2.gz XSGLYSZDBNKBOP-YJNKXOJESA-N 2 0 270.417 1.500 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000091545832 146984199 /nfs/dbraw/zinc/98/41/99/146984199.db2.gz HGPVNSDBNFDABG-NWDGAFQWSA-N 2 0 253.390 1.103 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000103603375 147183267 /nfs/dbraw/zinc/18/32/67/147183267.db2.gz ROOPLHOVQIIXQB-CQSZACIVSA-N 2 0 298.475 1.700 10 0 CDAERP Cn1ccnc1CC1CC[NH+](Cc2cncnc2)CC1 ZINC000121753862 147380136 /nfs/dbraw/zinc/38/01/36/147380136.db2.gz MQEVRAVVMPRDOH-UHFFFAOYSA-N 2 0 271.368 1.665 10 0 CDAERP CC[NH+](CC)CCN1CCC[C@H]1C[NH+]1CCCC1 ZINC000179290635 148104696 /nfs/dbraw/zinc/10/46/96/148104696.db2.gz MPRWOKVQTBHVCM-HNNXBMFYSA-N 2 0 253.434 1.888 10 0 CDAERP CN1CC[C@@H](NC(=O)C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000335055773 150238146 /nfs/dbraw/zinc/23/81/46/150238146.db2.gz YMQCBVDYZUDHHM-YPMHNXCESA-N 2 0 285.750 1.299 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000335073914 150262687 /nfs/dbraw/zinc/26/26/87/150262687.db2.gz QJCODFQTAZKKQD-VXGBXAGGSA-N 2 0 253.390 1.104 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000335435018 150640854 /nfs/dbraw/zinc/64/08/54/150640854.db2.gz GNJXIJYFMKAYOX-STQMWFEESA-N 2 0 282.432 1.382 10 0 CDAERP FC1(F)C[C@H]1OCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000658168200 413261431 /nfs/dbraw/zinc/26/14/31/413261431.db2.gz HSHRNEXMWNZNCE-CYBMUJFWSA-N 2 0 274.355 1.875 10 0 CDAERP c1c(C[NH2+]C2CC2)nnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000656456173 413277777 /nfs/dbraw/zinc/27/77/77/413277777.db2.gz SHBBFMHWPDIGSJ-KRWDZBQOSA-N 2 0 297.406 1.977 10 0 CDAERP CC(C)([NH3+])c1cc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)on1 ZINC000662681277 413302891 /nfs/dbraw/zinc/30/28/91/413302891.db2.gz DNGHSCJYQQIQGK-SNVBAGLBSA-N 2 0 292.383 1.083 10 0 CDAERP COc1ccccc1N1CCC([NH2+][C@H](C)C2C[NH2+]C2)CC1 ZINC000422828431 286500633 /nfs/dbraw/zinc/50/06/33/286500633.db2.gz AYRBHQNYGWGTIV-CYBMUJFWSA-N 2 0 289.423 1.862 10 0 CDAERP [NH3+][C@@H](c1cn([C@@H]2CCC[NH2+]C2)nn1)c1ccccc1 ZINC000656467050 413322013 /nfs/dbraw/zinc/32/20/13/413322013.db2.gz JUJVOOYLHOEVLA-TZMCWYRMSA-N 2 0 257.341 1.251 10 0 CDAERP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CC2([NH3+])CC2)C1 ZINC000662696754 413332497 /nfs/dbraw/zinc/33/24/97/413332497.db2.gz UBJUDQIVKFBZTA-ZFWWWQNUSA-N 2 0 287.407 1.820 10 0 CDAERP Cn1ccnc1[C@H]([NH2+]CCCC[NH+](C)C)C1CC1 ZINC000362376519 159134084 /nfs/dbraw/zinc/13/40/84/159134084.db2.gz RNWPKRYRSIQHGF-CYBMUJFWSA-N 2 0 250.390 1.803 10 0 CDAERP C[NH+]1CCC(CCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC000362730447 159224609 /nfs/dbraw/zinc/22/46/09/159224609.db2.gz XJZCUQPSVMDFSR-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCC[C@@H]([NH3+])C(C)C)C1(C)C ZINC000662731067 413396876 /nfs/dbraw/zinc/39/68/76/413396876.db2.gz XJGDEERMWDZLFK-JMSVASOKSA-N 2 0 285.432 1.009 10 0 CDAERP [NH3+][C@H](C(=O)NCC1([NH3+])CCCCCC1)c1ccccc1 ZINC000370713758 159943774 /nfs/dbraw/zinc/94/37/74/159943774.db2.gz YEIRMINGCLZEBR-AWEZNQCLSA-N 2 0 275.396 1.854 10 0 CDAERP [NH3+]Cc1ccccc1NC(=O)C[NH+]1CCCCCC1 ZINC000022154529 171361422 /nfs/dbraw/zinc/36/14/22/171361422.db2.gz JQQRVSRFOXOFLZ-UHFFFAOYSA-N 2 0 261.369 1.960 10 0 CDAERP C[C@H]1C[NH+](CCC(=O)Nc2cccc(C[NH3+])c2)C[C@H](C)O1 ZINC000022155217 171361637 /nfs/dbraw/zinc/36/16/37/171361637.db2.gz RLFMJJMYKYTAQD-STQMWFEESA-N 2 0 291.395 1.583 10 0 CDAERP CC[NH+](CC)CCCNS(=O)(=O)c1ccccc1C[NH3+] ZINC000022212518 171373914 /nfs/dbraw/zinc/37/39/14/171373914.db2.gz QFZWYGBCEIZFCS-UHFFFAOYSA-N 2 0 299.440 1.156 10 0 CDAERP CCOc1ccccc1[C@@H]([NH3+])CN1CC[NH+](C)CC1 ZINC000022564802 171392067 /nfs/dbraw/zinc/39/20/67/171392067.db2.gz QLXQTYSSJGATCL-AWEZNQCLSA-N 2 0 263.385 1.333 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000653210546 412140114 /nfs/dbraw/zinc/14/01/14/412140114.db2.gz AHMNPRQDCKBYQS-KRWDZBQOSA-N 2 0 297.402 1.592 10 0 CDAERP CC[C@@H](C)[C@H]([NH3+])C(=O)NCCC[N@H+](C)CC(C)C ZINC000653175962 412116095 /nfs/dbraw/zinc/11/60/95/412116095.db2.gz HFCOQVXNUNVFTQ-OLZOCXBDSA-N 2 0 257.422 1.454 10 0 CDAERP C[C@@H]1CCCN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)[C@@H]1CC[NH3+] ZINC000653241141 412160714 /nfs/dbraw/zinc/16/07/14/412160714.db2.gz YEOOFMMAXHPCDA-ZOBORPQBSA-N 2 0 267.417 1.350 10 0 CDAERP [NH3+]CCC1CCN(C(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000662830756 413562795 /nfs/dbraw/zinc/56/27/95/413562795.db2.gz NLOXUICMGNPCMP-UHFFFAOYSA-N 2 0 265.401 1.249 10 0 CDAERP C[N@H+](CCOc1cccc(C[NH3+])c1)[C@@H]1CCSC1 ZINC000035725179 172379812 /nfs/dbraw/zinc/37/98/12/172379812.db2.gz APHRNTPWBKSHPM-CYBMUJFWSA-N 2 0 266.410 1.961 10 0 CDAERP CCO[C@@H]1CN(CC(=O)N2[C@H](C)CCC[C@@H]2C)C[C@H]1C[NH3+] ZINC000405613005 413639692 /nfs/dbraw/zinc/63/96/92/413639692.db2.gz SVLUDZPHPPRTGX-LXTVHRRPSA-N 2 0 297.443 1.072 10 0 CDAERP CC[C@@]1(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CCC[NH2+]1 ZINC000662971471 413761294 /nfs/dbraw/zinc/76/12/94/413761294.db2.gz AJMUOLZCQTUOAP-ZBFHGGJFSA-N 2 0 297.443 1.088 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659494753 413885320 /nfs/dbraw/zinc/88/53/20/413885320.db2.gz VJCNJCOYZXCBIK-ZIAGYGMSSA-N 2 0 286.464 1.779 10 0 CDAERP CCC[NH+](CCC)CCCNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659449465 413837270 /nfs/dbraw/zinc/83/72/70/413837270.db2.gz FUYYGDZYBQLGJT-UHFFFAOYSA-N 2 0 296.459 1.631 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000659452703 413839774 /nfs/dbraw/zinc/83/97/74/413839774.db2.gz OILXCZGCAVVLNL-SOUVJXGZSA-N 2 0 298.475 1.922 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000659468541 413855576 /nfs/dbraw/zinc/85/55/76/413855576.db2.gz BTPUEYIBFXFCAI-IACUBPJLSA-N 2 0 282.432 1.142 10 0 CDAERP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCC12CC(C1)C[NH2+]2 ZINC000665279612 414015867 /nfs/dbraw/zinc/01/58/67/414015867.db2.gz HHAXBDNBMDJDSR-GOTCIRLWSA-N 2 0 259.397 1.287 10 0 CDAERP Cc1ccc([C@H](C[NH3+])N2CCC[N@@H+](C)CC2)cc1C ZINC000037179998 173013207 /nfs/dbraw/zinc/01/32/07/173013207.db2.gz OGPKQGGFMDHKFJ-INIZCTEOSA-N 2 0 261.413 1.941 10 0 CDAERP CCN(CC[C@H]1CCCC[N@@H+]1C)C1CC[NH2+]CC1 ZINC000037538027 173257944 /nfs/dbraw/zinc/25/79/44/173257944.db2.gz OTEDUNHWNBTZPC-CQSZACIVSA-N 2 0 253.434 1.935 10 0 CDAERP CC[C@@H]1C[C@@H]([NH2+]C[C@H](C)N2CC[NH+](CC)CC2)CO1 ZINC000657309217 414148294 /nfs/dbraw/zinc/14/82/94/414148294.db2.gz BWMSJFZBKPSOGE-RRFJBIMHSA-N 2 0 269.433 1.170 10 0 CDAERP CC(C)N(CC[NH+](C)C)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000665363047 414111087 /nfs/dbraw/zinc/11/10/87/414111087.db2.gz RESHYIMNOFVXLU-CQSZACIVSA-N 2 0 298.475 1.841 10 0 CDAERP C[NH+]1CCC(C[NH2+]Cc2cn(C3CCC3)nn2)CC1 ZINC000657349598 414210315 /nfs/dbraw/zinc/21/03/15/414210315.db2.gz SIBLDKLSZMVICB-UHFFFAOYSA-N 2 0 263.389 1.435 10 0 CDAERP C[C@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)N(C)C1CC1 ZINC000657351536 414216002 /nfs/dbraw/zinc/21/60/02/414216002.db2.gz PTZRSPFGKVLIGV-CYBMUJFWSA-N 2 0 285.395 1.840 10 0 CDAERP CC[C@H]1C[C@H]([NH2+]CCOCC[NH+](CC)CC)CO1 ZINC000657432518 414315654 /nfs/dbraw/zinc/31/56/54/414315654.db2.gz GNSBEGCVPBNIAW-KBPBESRZSA-N 2 0 258.406 1.502 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cn(C2CCC2)nn1 ZINC000657390544 414276201 /nfs/dbraw/zinc/27/62/01/414276201.db2.gz ZOJJTZAXZKPIMC-OAHLLOKOSA-N 2 0 295.431 1.450 10 0 CDAERP CCC[NH+]1CCC([C@@H](C)[NH2+]CCCC(N)=O)CC1 ZINC000037659335 173606778 /nfs/dbraw/zinc/60/67/78/173606778.db2.gz POLJPLXYTNTIBD-GFCCVEGCSA-N 2 0 255.406 1.352 10 0 CDAERP CC1(C[NH2+]Cc2nc3c(s2)C[NH2+]CC3)CC[NH2+]CC1 ZINC000663497195 414295969 /nfs/dbraw/zinc/29/59/69/414295969.db2.gz LHCHOUBPPPFHAF-UHFFFAOYSA-N 3 0 280.441 1.268 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)CC2CC2)CC1 ZINC000663506914 414310568 /nfs/dbraw/zinc/31/05/68/414310568.db2.gz XOOJWLIKNXVGIK-CYBMUJFWSA-N 2 0 281.444 1.755 10 0 CDAERP CCCCNC(=O)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294249 414619651 /nfs/dbraw/zinc/61/96/51/414619651.db2.gz JVHHCHJEAYDZPI-HNNXBMFYSA-N 2 0 281.444 1.614 10 0 CDAERP c1coc(C2CC[NH+](CCN3CC[NH2+]CC3)CC2)c1 ZINC000662299369 414623156 /nfs/dbraw/zinc/62/31/56/414623156.db2.gz ZCGLZVBYMURMHJ-UHFFFAOYSA-N 2 0 263.385 1.364 10 0 CDAERP CC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000038098275 174113422 /nfs/dbraw/zinc/11/34/22/174113422.db2.gz HTTKOSPJYLPBHF-QEJZJMRPSA-N 2 0 279.428 1.508 10 0 CDAERP COC(C)(C)CC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662321680 414641050 /nfs/dbraw/zinc/64/10/50/414641050.db2.gz CPLPOPRKMTZLBA-AWEZNQCLSA-N 2 0 272.433 1.844 10 0 CDAERP CCC[C@@H](C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508129 174303046 /nfs/dbraw/zinc/30/30/46/174303046.db2.gz SZVBFKNTWKNHFK-CHWSQXEVSA-N 2 0 253.390 1.071 10 0 CDAERP NC(=S)CC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000040694042 174377956 /nfs/dbraw/zinc/37/79/56/174377956.db2.gz ABUXGDZKVSBGDV-UHFFFAOYSA-N 2 0 255.431 1.613 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000040716291 174383475 /nfs/dbraw/zinc/38/34/75/174383475.db2.gz CLSXDMVFEUCOMW-CYBMUJFWSA-N 2 0 262.357 1.361 10 0 CDAERP C[C@@H]([NH3+])[C@H](c1cccnc1)N1CCC([NH+](C)C)CC1 ZINC000043346799 175017346 /nfs/dbraw/zinc/01/73/46/175017346.db2.gz BKXISCAYNUBLPU-IUODEOHRSA-N 2 0 262.401 1.496 10 0 CDAERP FC(F)(F)[C@@H]1CCC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000043499941 175058687 /nfs/dbraw/zinc/05/86/87/175058687.db2.gz LSMDSOCMNYZKHJ-LLVKDONJSA-N 2 0 265.323 1.166 10 0 CDAERP C[C@@H](C(=O)N[C@@H]1CCCC[C@@H]1[NH3+])[NH+]1[C@@H](C)CC[C@@H]1C ZINC000043559887 175065741 /nfs/dbraw/zinc/06/57/41/175065741.db2.gz HEFVZEBAROMSQV-HTVCTNPSSA-N 2 0 267.417 1.634 10 0 CDAERP C[NH+]1CCC(OC(=O)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000043586706 175072058 /nfs/dbraw/zinc/07/20/58/175072058.db2.gz RLAQDRZFYGMEDS-GFCCVEGCSA-N 2 0 254.374 1.404 10 0 CDAERP COCC[N@H+](CCC[C@@H]1CCC[NH2+]C1)[C@@H](C)COC ZINC000043592072 175074243 /nfs/dbraw/zinc/07/42/43/175074243.db2.gz BGCFVBLLUBNMGN-GJZGRUSLSA-N 2 0 272.433 1.750 10 0 CDAERP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N1CCC[N@H+](C)CC1 ZINC000043818316 175113112 /nfs/dbraw/zinc/11/31/12/175113112.db2.gz PMUXZZKAWLOPRF-KFWWJZLASA-N 2 0 253.434 1.791 10 0 CDAERP C[NH2+][C@H](CN1CCC([NH+](C)C)CC1)c1ccccc1OC ZINC000043897262 175120102 /nfs/dbraw/zinc/12/01/02/175120102.db2.gz OXHXTZITCKOLFI-MRXNPFEDSA-N 2 0 291.439 1.982 10 0 CDAERP C[NH2+][C@@H](C)CCN1CCC([NH+]2CCCCC2)CC1 ZINC000043907763 175123237 /nfs/dbraw/zinc/12/32/37/175123237.db2.gz WFPCYITTYIYYAV-AWEZNQCLSA-N 2 0 253.434 1.935 10 0 CDAERP CCC[NH2+][C@H]1CCOC[C@H]1N1CC[NH+](C(C)(C)C)CC1 ZINC000043965730 175127186 /nfs/dbraw/zinc/12/71/86/175127186.db2.gz DNVLYFZCCNAHEU-LSDHHAIUSA-N 2 0 283.460 1.560 10 0 CDAERP CCC[NH2+]CC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000044295733 175161038 /nfs/dbraw/zinc/16/10/38/175161038.db2.gz DZLCXTVXWBZMKU-UHFFFAOYSA-N 2 0 255.406 1.367 10 0 CDAERP CC[NH+]1CCC(C[NH2+][C@H](C)c2c(C)nc(C)[nH]c2=O)CC1 ZINC000044517866 175191136 /nfs/dbraw/zinc/19/11/36/175191136.db2.gz IBBPWQJZDNOGRI-LLVKDONJSA-N 2 0 292.427 1.769 10 0 CDAERP C[C@H]1C[NH2+]C[C@H](C)CN(C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000044538723 175200851 /nfs/dbraw/zinc/20/08/51/175200851.db2.gz JIXQVRAMDYMELH-SOUVJXGZSA-N 2 0 253.434 1.506 10 0 CDAERP C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000044538785 175201022 /nfs/dbraw/zinc/20/10/22/175201022.db2.gz VDZIPDLJUSIALL-AJNGGQMLSA-N 2 0 279.428 1.365 10 0 CDAERP CCC[NH2+]CC(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000044651188 175225136 /nfs/dbraw/zinc/22/51/36/175225136.db2.gz XCBLIXBUDNICPM-DZGCQCFKSA-N 2 0 269.433 1.613 10 0 CDAERP c1ccc2c(c1)CC[NH2+][C@H]2CN[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044679483 175228268 /nfs/dbraw/zinc/22/82/68/175228268.db2.gz AWIMYVNAYFHLSB-YOEHRIQHSA-N 2 0 271.408 1.700 10 0 CDAERP C[C@@H](C[NH+]1CCCC1)NC(=O)C1(C[NH3+])CCCC1 ZINC000044763639 175247642 /nfs/dbraw/zinc/24/76/42/175247642.db2.gz KAJAKXASZQRPOU-LBPRGKRZSA-N 2 0 253.390 1.106 10 0 CDAERP C[NH2+][C@@](C)(CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)C(N)=O ZINC000045373342 175365204 /nfs/dbraw/zinc/36/52/04/175365204.db2.gz SUKTVMDOECXUQZ-NFAWXSAZSA-N 2 0 269.433 1.598 10 0 CDAERP CCC[NH2+][C@](C)(CCCN1CC[NH+](CCC)CC1)C(N)=O ZINC000045374040 175365887 /nfs/dbraw/zinc/36/58/87/175365887.db2.gz XTBAVWZSXQVRIO-MRXNPFEDSA-N 2 0 298.475 1.038 10 0 CDAERP COC(=O)[C@@](C)([NH3+])CCCC[N@H+](C)C1CCN(C)CC1 ZINC000045379283 175368197 /nfs/dbraw/zinc/36/81/97/175368197.db2.gz PPWOBESGXWUDFP-HNNXBMFYSA-N 2 0 285.432 1.073 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000335073913 298952366 /nfs/dbraw/zinc/95/23/66/298952366.db2.gz QJCODFQTAZKKQD-RYUDHWBXSA-N 2 0 253.390 1.104 10 0 CDAERP CCC[NH+]1CCN([C@]2(C[NH3+])CCO[C@@H](CC)C2)CC1 ZINC000070362789 175890577 /nfs/dbraw/zinc/89/05/77/175890577.db2.gz GKZBTNLARAHAKC-LSDHHAIUSA-N 2 0 269.433 1.301 10 0 CDAERP CCC[NH+]1CCC(N2CCC[C@@H]([NH2+]C(C)C)C2=O)CC1 ZINC000071032037 176023002 /nfs/dbraw/zinc/02/30/02/176023002.db2.gz ZTRYXHKPDDQEKR-OAHLLOKOSA-N 2 0 281.444 1.850 10 0 CDAERP C[NH2+][C@@H]1CCCN([C@H](C)C[NH+]2CCCCC2)C1=O ZINC000071037367 176025827 /nfs/dbraw/zinc/02/58/27/176025827.db2.gz JFKJRRZCBDNQIZ-CHWSQXEVSA-N 2 0 253.390 1.071 10 0 CDAERP CC[NH2+][C@H]1CCN([C@@H](C)CCC[NH+](CC)CC)C1=O ZINC000071038083 176026868 /nfs/dbraw/zinc/02/68/68/176026868.db2.gz BAMPCCDLMCAIDT-KBPBESRZSA-N 2 0 269.433 1.707 10 0 CDAERP C[N@H+](CCN1CC[NH2+]CC1)Cc1c[nH]c2ccccc12 ZINC000071149013 176044687 /nfs/dbraw/zinc/04/46/87/176044687.db2.gz HPECDVQNQYYQLB-UHFFFAOYSA-N 2 0 272.396 1.505 10 0 CDAERP CC[C@H]1CCCC[C@@]1(CN)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000071162221 176046253 /nfs/dbraw/zinc/04/62/53/176046253.db2.gz BMEKNCQVGNCJHX-ULQDDVLXSA-N 2 0 295.471 1.691 10 0 CDAERP Cc1ccc([C@H]([C@H](C)[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)o1 ZINC000071187909 176062291 /nfs/dbraw/zinc/06/22/91/176062291.db2.gz OADCQBAQYJAIMT-GUTXKFCHSA-N 2 0 265.401 1.860 10 0 CDAERP COc1ccc([C@@H]([C@@H](C)[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000071187871 176062300 /nfs/dbraw/zinc/06/23/00/176062300.db2.gz GMCRDEAOHNWVRQ-CKEIUWERSA-N 2 0 291.439 1.967 10 0 CDAERP CC(C)[NH2+]Cc1ccc(N(C)C[C@H]2CC[N@H+](C)C2)nc1 ZINC000071191665 176071701 /nfs/dbraw/zinc/07/17/01/176071701.db2.gz RBJHJDRIVLGEAE-HNNXBMFYSA-N 2 0 276.428 1.968 10 0 CDAERP C[NH2+][C@H]1CCN(C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000071198100 176076470 /nfs/dbraw/zinc/07/64/70/176076470.db2.gz JYDXVXHMHZJUQM-INIZCTEOSA-N 2 0 273.424 1.945 10 0 CDAERP CC(C)[NH2+][C@H]1CCCN(C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000071200654 176077679 /nfs/dbraw/zinc/07/76/79/176077679.db2.gz CZYCSLQTELDKRU-CABCVRRESA-N 2 0 253.434 1.791 10 0 CDAERP CCOC(=O)CCCCC[N@H+](C)CCC[NH+](C)C ZINC000071293509 176111823 /nfs/dbraw/zinc/11/18/23/176111823.db2.gz HMQYMGSJJDHARQ-UHFFFAOYSA-N 2 0 258.406 1.993 10 0 CDAERP CCN1CC[NH+](C[C@H](CC[NH3+])c2ccccc2)CC1 ZINC000076673434 177054573 /nfs/dbraw/zinc/05/45/73/177054573.db2.gz PIPCFZHXNHGUCU-INIZCTEOSA-N 2 0 261.413 1.757 10 0 CDAERP C[NH+](C)C[C@@H](CC[NH3+])c1ccc(S(C)(=O)=O)cc1 ZINC000076710382 177067363 /nfs/dbraw/zinc/06/73/63/177067363.db2.gz CBWNPAVWORWGEA-GFCCVEGCSA-N 2 0 270.398 1.084 10 0 CDAERP C[C@H](CC[NH3+])CCC(=O)NCC(C)(C)C[NH+](C)C ZINC000079078015 177429464 /nfs/dbraw/zinc/42/94/64/177429464.db2.gz VJBQUTJEDYADFV-LBPRGKRZSA-N 2 0 257.422 1.456 10 0 CDAERP CCC[C@@H](CC[NH3+])CCC(=O)NCCCC[NH+](C)C ZINC000079241207 177454392 /nfs/dbraw/zinc/45/43/92/177454392.db2.gz ODKXGJNQWWQDQU-CQSZACIVSA-N 2 0 271.449 1.990 10 0 CDAERP C[C@]1(C(=O)N2CCC(C[NH+]3CCCC3)CC2)CCC[NH2+]1 ZINC000079518408 177513445 /nfs/dbraw/zinc/51/34/45/177513445.db2.gz MUAJQJQANBETAX-MRXNPFEDSA-N 2 0 279.428 1.463 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)N2CC[C@](C)(C[NH3+])C2)CC1 ZINC000417908398 227148985 /nfs/dbraw/zinc/14/89/85/227148985.db2.gz BIGUAOJRKRCAJK-ZBCRRDGASA-N 2 0 296.459 1.487 10 0 CDAERP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CCC[C@H]1C1CCC1 ZINC000662256569 423800453 /nfs/dbraw/zinc/80/04/53/423800453.db2.gz JVTDOOJLWRJLDP-KBPBESRZSA-N 2 0 250.386 1.772 10 0 CDAERP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2nc3c(s2)C[NH2+]CC3)C1 ZINC000663496023 423890500 /nfs/dbraw/zinc/89/05/00/423890500.db2.gz CGMTXLLMUGKYFI-NXEZZACHSA-N 3 0 266.414 1.006 10 0 CDAERP CC(C)[C@H]([NH3+])CC[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000663500415 423893395 /nfs/dbraw/zinc/89/33/95/423893395.db2.gz RPDASIRJSDNKOY-OAHLLOKOSA-N 2 0 293.411 1.847 10 0 CDAERP CC(C)[C@H]([NH3+])CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000663502106 423896381 /nfs/dbraw/zinc/89/63/81/423896381.db2.gz FQVOTZXIKQOIRO-YJNKXOJESA-N 2 0 253.434 1.870 10 0 CDAERP Cc1nc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)co1 ZINC000662287100 423912211 /nfs/dbraw/zinc/91/22/11/423912211.db2.gz WAEBDLXJVANLAM-GZBFAFLISA-N 2 0 279.384 1.701 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)Cn2cnc3c2CCCC3)C1 ZINC000655245873 424063638 /nfs/dbraw/zinc/06/36/38/424063638.db2.gz ZUHLEKCWQZGRHB-BETUJISGSA-N 2 0 290.411 1.218 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000652217085 424072245 /nfs/dbraw/zinc/07/22/45/424072245.db2.gz OJZXBBBZZIMNFV-DOMZBBRYSA-N 2 0 290.411 1.346 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N(C)C1CC([NH3+])C1 ZINC000652224944 424082159 /nfs/dbraw/zinc/08/21/59/424082159.db2.gz LVRKRVMPDRKKAD-UHFFFAOYSA-N 2 0 270.421 1.095 10 0 CDAERP CC[C@@H]([NH2+]C)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000662399013 424037493 /nfs/dbraw/zinc/03/74/93/424037493.db2.gz YDIQDZMEBQSIIW-HUUCEWRRSA-N 2 0 277.412 1.274 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000652201582 424049559 /nfs/dbraw/zinc/04/95/59/424049559.db2.gz JQHILSQURYGPPQ-CQSZACIVSA-N 2 0 284.448 1.406 10 0 CDAERP CC/C=C/CC[NH2+]C[C@@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001667033839 1173225612 /nfs/dbraw/zinc/22/56/12/1173225612.db2.gz QFNKCKZOBJYQGG-LLYBFZRZSA-N 2 0 293.455 1.875 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)C1 ZINC000653122865 424316087 /nfs/dbraw/zinc/31/60/87/424316087.db2.gz GEMOQEDFQOOJGG-IMJJTQAJSA-N 2 0 293.455 1.707 10 0 CDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000309703388 424328978 /nfs/dbraw/zinc/32/89/78/424328978.db2.gz GWHXMURMRKJOHD-YCPHGPKFSA-N 2 0 289.423 1.621 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000660845043 424335387 /nfs/dbraw/zinc/33/53/87/424335387.db2.gz ZWSLNUQXVQYLTM-GXTWGEPZSA-N 2 0 294.443 1.395 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662709974 424356932 /nfs/dbraw/zinc/35/69/32/424356932.db2.gz FAHIDXNXIZXRLO-UHFFFAOYSA-N 2 0 253.390 1.104 10 0 CDAERP C[C@H]1CC[C@@H]([NH2+]CCCN2CCC[N@H+](C)CC2)CS1 ZINC000655714366 424485070 /nfs/dbraw/zinc/48/50/70/424485070.db2.gz BQJXVLKQQQWANJ-LSDHHAIUSA-N 2 0 285.501 1.888 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655483920 424486504 /nfs/dbraw/zinc/48/65/04/424486504.db2.gz JRYSJDNVYIUNSQ-WBVHZDCISA-N 2 0 287.407 1.412 10 0 CDAERP CCCC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001667441263 1173268213 /nfs/dbraw/zinc/26/82/13/1173268213.db2.gz VXGYMYOFCGPSHY-KGLIPLIRSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)(C)[C@H](O)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000324631919 270331963 /nfs/dbraw/zinc/33/19/63/270331963.db2.gz UBMXQGSBFLWQQD-IGQOVBAYSA-N 2 0 254.418 1.904 10 0 CDAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]([NH3+])C1CCC1 ZINC000399155921 270368536 /nfs/dbraw/zinc/36/85/36/270368536.db2.gz CXOMKACCCUGBLY-BBRMVZONSA-N 2 0 289.423 1.751 10 0 CDAERP COc1ccccc1N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000422876539 274160771 /nfs/dbraw/zinc/16/07/71/274160771.db2.gz QIHYBENDQDAGBZ-MELADBBJSA-N 2 0 275.396 1.743 10 0 CDAERP CC1(C)CN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC[C@H]1[NH3+] ZINC000261649350 275840414 /nfs/dbraw/zinc/84/04/14/275840414.db2.gz AJFKJJVVHHPYAI-LSDHHAIUSA-N 2 0 287.407 1.287 10 0 CDAERP CC(C)[NH+]1CCC([NH2+][C@H]2CCO[C@]3(CCOC3)C2)CC1 ZINC000360708873 275941445 /nfs/dbraw/zinc/94/14/45/275941445.db2.gz AXRCSXVYWMHPMK-JKSUJKDBSA-N 2 0 282.428 1.787 10 0 CDAERP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCCC[C@H]2C)CC1 ZINC000358566592 276359467 /nfs/dbraw/zinc/35/94/67/276359467.db2.gz GEGXKZBSUKMKEA-CQSZACIVSA-N 2 0 281.444 1.851 10 0 CDAERP C[NH+](C)CCOCC[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000341381567 276791886 /nfs/dbraw/zinc/79/18/86/276791886.db2.gz VDUZJHDIAVTZEF-HRCADAONSA-N 2 0 284.444 1.750 10 0 CDAERP C[N@@H+]1CC[C@@](C)(C[NH2+]C2CSCCSC2)C1 ZINC000067868902 277158445 /nfs/dbraw/zinc/15/84/45/277158445.db2.gz WWAQOULLKQTCFI-LBPRGKRZSA-N 2 0 260.472 1.766 10 0 CDAERP C[N@H+]1C[C@@H]2C[NH+](C[C@@H](O)C3CCCCC3)C[C@@H]2C1 ZINC000365510585 277198054 /nfs/dbraw/zinc/19/80/54/277198054.db2.gz KNOGVJTXMIBIPY-QLFBSQMISA-N 2 0 252.402 1.421 10 0 CDAERP CC(C)C[NH+]1CCC(NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000262447517 277385895 /nfs/dbraw/zinc/38/58/95/277385895.db2.gz UJJXDDXSIYCDGY-KBPBESRZSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@@H]1C[C@H](C[N@H+](C)CCCN(C)CC[NH+](C)C)CCO1 ZINC000344036424 278010343 /nfs/dbraw/zinc/01/03/43/278010343.db2.gz SULAVDCRYKWEEJ-HZPDHXFCSA-N 2 0 285.476 1.617 10 0 CDAERP C[C@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)[NH+](C)C1CC1 ZINC000353157583 278197776 /nfs/dbraw/zinc/19/77/76/278197776.db2.gz LIQLTEIURFRNRH-KGLIPLIRSA-N 2 0 281.444 1.850 10 0 CDAERP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)[C@H]1C[C@H]1C ZINC000414101847 278254476 /nfs/dbraw/zinc/25/44/76/278254476.db2.gz WXSQTGQKJMQVEP-MLEONAHRSA-N 2 0 266.429 1.998 10 0 CDAERP CC(C)(C)CC[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000261781576 278315519 /nfs/dbraw/zinc/31/55/19/278315519.db2.gz PIZPBWPWVHBJBL-HUUCEWRRSA-N 2 0 295.471 1.942 10 0 CDAERP CC[NH+](CC)CCN1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000157809104 279104214 /nfs/dbraw/zinc/10/42/14/279104214.db2.gz QSLKXXQASWAQEX-BBWFWOEESA-N 2 0 297.487 1.902 10 0 CDAERP CC(C)C[C@H](C)[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414204028 279111690 /nfs/dbraw/zinc/11/16/90/279111690.db2.gz WAOCTWAWMXGQOT-INIZCTEOSA-N 2 0 297.487 1.807 10 0 CDAERP C[C@H](C(=O)NC[C@@H]1CCC[NH+]1C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245200986 279224193 /nfs/dbraw/zinc/22/41/93/279224193.db2.gz DTWWBLLDZXAAOT-RQJABVFESA-N 2 0 267.417 1.458 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000335284788 279318454 /nfs/dbraw/zinc/31/84/54/279318454.db2.gz FZXOPHXRYGNVLD-HOCLYGCPSA-N 2 0 294.443 1.256 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000360122019 279377107 /nfs/dbraw/zinc/37/71/07/279377107.db2.gz BXPGRNDAKLGKLY-LSDHHAIUSA-N 2 0 294.443 1.371 10 0 CDAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C1 ZINC000085635179 279395970 /nfs/dbraw/zinc/39/59/70/279395970.db2.gz URRZEHPGOUAFFI-FQUUOJAGSA-N 2 0 252.402 1.731 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@@H]1C[NH2+]CCC1(F)F ZINC000423483852 288133035 /nfs/dbraw/zinc/13/30/35/288133035.db2.gz RWXADHPAHAITLB-YUSALJHKSA-N 2 0 259.344 1.056 10 0 CDAERP CC1CC[NH+](CCNC(=O)NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000195128013 280071049 /nfs/dbraw/zinc/07/10/49/280071049.db2.gz YXLGOOOCLNUHQW-AWEZNQCLSA-N 2 0 282.432 1.112 10 0 CDAERP O=C([C@H]1CC12CC[NH2+]CC2)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000250836407 280126178 /nfs/dbraw/zinc/12/61/78/280126178.db2.gz KXTDIAMIDLFYIE-UONOGXRCSA-N 2 0 277.412 1.073 10 0 CDAERP [NH3+]C1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000250871059 280504367 /nfs/dbraw/zinc/50/43/67/280504367.db2.gz SMHFMGOSEUIVAW-MGYRSQIZSA-N 2 0 265.401 1.293 10 0 CDAERP C[NH+](C)C1CCN(C(=O)C2(C[NH3+])CCCC2)CC1 ZINC000044762894 289066340 /nfs/dbraw/zinc/06/63/40/289066340.db2.gz YFAXLMFVLZIXFH-UHFFFAOYSA-N 2 0 253.390 1.058 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)N2CCC[NH2+]CC2)CC1 ZINC000334926041 289101064 /nfs/dbraw/zinc/10/10/64/289101064.db2.gz WGLGIZWQHYMCJC-UHFFFAOYSA-N 2 0 282.432 1.112 10 0 CDAERP C[NH+](C)CCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000253626537 289115175 /nfs/dbraw/zinc/11/51/75/289115175.db2.gz JCTYEYNPVUVIOW-RRFJBIMHSA-N 2 0 254.418 1.954 10 0 CDAERP C[C@@]1(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)CC[NH2+]C1 ZINC000261938692 289163565 /nfs/dbraw/zinc/16/35/65/289163565.db2.gz DLWSOCFUCJKCEF-QGZVFWFLSA-N 2 0 293.455 1.711 10 0 CDAERP C[NH+](C)C[C@H]1CC[N@@H+](CCCN2CC[C@H](C[NH+](C)C)C2)C1 ZINC000158147528 289302121 /nfs/dbraw/zinc/30/21/21/289302121.db2.gz SFHWDARMWCESNO-IAGOWNOFSA-N 3 0 296.503 1.144 10 0 CDAERP C[NH+](C)C(CNC(=O)C1CCCC1C[NH3+])C1CCCCC1 ZINC000261812437 289359918 /nfs/dbraw/zinc/35/99/18/289359918.db2.gz RZDVMGDYZBAZEE-BZUAXINKSA-N 2 0 295.471 1.988 10 0 CDAERP CC[NH+]1CCC(NC(=O)C[NH+]2[C@@H](C)C[C@@H]2C)CC1 ZINC000548753470 289925256 /nfs/dbraw/zinc/92/52/56/289925256.db2.gz ZWVWZNLHLPVRKH-RYUDHWBXSA-N 2 0 253.390 1.070 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H](c2cccs2)[NH+](C)C)C1 ZINC000552844288 290083276 /nfs/dbraw/zinc/08/32/76/290083276.db2.gz UHKBFAYISOIXDT-QWHCGFSZSA-N 2 0 295.452 1.809 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCN2CC=CCC2)[C@H]2CCC[C@@H]21 ZINC000367639148 290218161 /nfs/dbraw/zinc/21/81/61/290218161.db2.gz SZLHOVZEVWGRIC-PMPSAXMXSA-N 2 0 263.429 1.711 10 0 CDAERP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H]2CCC[C@@H]2C2CC2)CC1 ZINC000562996399 293238459 /nfs/dbraw/zinc/23/84/59/293238459.db2.gz BOZUTLXXJRWQSA-BRWVUGGUSA-N 2 0 295.471 1.011 10 0 CDAERP CC(C)OC[C@H](O)C[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000563013780 293245093 /nfs/dbraw/zinc/24/50/93/293245093.db2.gz MDENAJXEBBJCMR-LSDHHAIUSA-N 2 0 272.433 1.626 10 0 CDAERP CC(C)[NH+](CCCNC(=O)[C@@H]1CCC[NH2+]C1)C(C)C ZINC000567806362 293873700 /nfs/dbraw/zinc/87/37/00/293873700.db2.gz BHYQYLTWJRXOMV-CQSZACIVSA-N 2 0 269.433 1.611 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)COC2CCC([NH3+])CC2)CC1 ZINC000568636549 294074242 /nfs/dbraw/zinc/07/42/42/294074242.db2.gz FDVDMTLAKQCJGQ-UHFFFAOYSA-N 2 0 297.443 1.216 10 0 CDAERP C[C@@H](NCC[NH+]1CCC(C)CC1)[C@H]1CCC[NH2+]C1 ZINC000570389167 294227759 /nfs/dbraw/zinc/22/77/59/294227759.db2.gz REWZDUNHQVFGMP-CABCVRRESA-N 2 0 253.434 1.696 10 0 CDAERP [NH3+]C1CCC(OCc2nc(C3([NH3+])CCCC3)no2)CC1 ZINC000574039342 294934371 /nfs/dbraw/zinc/93/43/71/294934371.db2.gz LQMVQPBMGBTKLR-UHFFFAOYSA-N 2 0 280.372 1.584 10 0 CDAERP COc1ccc([C@H](N[C@H](C)[C@H](C)[NH3+])[C@@H]2CCC[NH2+]2)cc1 ZINC000423486048 295246136 /nfs/dbraw/zinc/24/61/36/295246136.db2.gz ZMLBOUMJBAOKFT-VZAMPYOESA-N 2 0 277.412 1.814 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000091540657 295321852 /nfs/dbraw/zinc/32/18/52/295321852.db2.gz HSDQYUNZQVVBAA-QWHCGFSZSA-N 2 0 265.401 1.201 10 0 CDAERP [NH3+][C@H]1CC[C@@H](C(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000091545082 295340842 /nfs/dbraw/zinc/34/08/42/295340842.db2.gz WFSNNWRBZQRKIQ-OLZOCXBDSA-N 2 0 265.401 1.201 10 0 CDAERP O=C(C[C@@H]1CCC[NH2+]1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000371232384 295533864 /nfs/dbraw/zinc/53/38/64/295533864.db2.gz RXTUUYPMEOMNIY-MELADBBJSA-N 2 0 265.401 1.119 10 0 CDAERP C[C@@]1(C(=O)N2CCC3(C2)CC[NH2+]CC3)CCCC[NH2+]1 ZINC000334914229 297857347 /nfs/dbraw/zinc/85/73/47/297857347.db2.gz YONPOMFCZGGLJR-AWEZNQCLSA-N 2 0 265.401 1.121 10 0 CDAERP O=C(NCCC[NH2+]C1CC1)NC1CC([NH+]2CCCCC2)C1 ZINC000418136936 303768424 /nfs/dbraw/zinc/76/84/24/303768424.db2.gz SAFIEDQQCWGWEC-UHFFFAOYSA-N 2 0 294.443 1.445 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000563373648 316276675 /nfs/dbraw/zinc/27/66/75/316276675.db2.gz JDIMBDVPSKLORG-LSDHHAIUSA-N 2 0 279.428 1.415 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000563381486 316280886 /nfs/dbraw/zinc/28/08/86/316280886.db2.gz SXBMVEXZVNRCIB-NFOMZHRRSA-N 2 0 281.444 1.565 10 0 CDAERP NC(=O)[C@H](C[NH2+][C@H]1CCC[C@H]([NH3+])C1)Cc1ccc(F)cc1 ZINC000576240577 317103678 /nfs/dbraw/zinc/10/36/78/317103678.db2.gz AZXWWXKJYBADPA-QEJZJMRPSA-N 2 0 293.386 1.329 10 0 CDAERP CC(C)S(=O)(=O)CCCN1CC[C@@H]([NH3+])C[C@H]1C ZINC000576288702 317111605 /nfs/dbraw/zinc/11/16/05/317111605.db2.gz ADAJFRRKRYHVKU-VXGBXAGGSA-N 2 0 262.419 1.011 10 0 CDAERP C[NH+](C)C1CCN(CC[NH2+]C[C@@H](O)CC2CCCC2)CC1 ZINC000576509029 317151414 /nfs/dbraw/zinc/15/14/14/317151414.db2.gz OHXDEKHLWYUUAT-KRWDZBQOSA-N 2 0 297.487 1.543 10 0 CDAERP CC(C)CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001672840210 1173803539 /nfs/dbraw/zinc/80/35/39/1173803539.db2.gz UPYBYQSMMVGSJK-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH2+]C1CCN(C(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000184132287 323356120 /nfs/dbraw/zinc/35/61/20/323356120.db2.gz CEIPUDJGAWJVJV-UHFFFAOYSA-N 2 0 267.417 1.496 10 0 CDAERP NC(=O)c1c[nH+]ccc1N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000398967489 323880872 /nfs/dbraw/zinc/88/08/72/323880872.db2.gz SEXPFFLFBGDMMS-CYBMUJFWSA-N 2 0 274.368 1.149 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)NCC1=CC[NH2+]CC1 ZINC000580192907 324396444 /nfs/dbraw/zinc/39/64/44/324396444.db2.gz QJINTDWKCVKGOX-AWEZNQCLSA-N 2 0 265.401 1.287 10 0 CDAERP CC(C)OC[C@H](O)C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000583139856 325114210 /nfs/dbraw/zinc/11/42/10/325114210.db2.gz DKIODCSYKZSFIV-OAHLLOKOSA-N 2 0 270.417 1.236 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000584459199 329490991 /nfs/dbraw/zinc/49/09/91/329490991.db2.gz JOTDUFHINHPURA-UHFFFAOYSA-N 2 0 294.443 1.326 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[C@@H]2[NH3+])C1 ZINC000250529610 1159263061 /nfs/dbraw/zinc/26/30/61/1159263061.db2.gz WNAWGIBTNPCKRY-RDBSUJKOSA-N 2 0 267.417 1.350 10 0 CDAERP CC(C)[C@H](C(=O)N(C)CC[NH2+]CC[C@H]1CCOC1)[NH+](C)C ZINC001691464831 1159326617 /nfs/dbraw/zinc/32/66/17/1159326617.db2.gz FEYGSDPHPYNYSA-LSDHHAIUSA-N 2 0 299.459 1.047 10 0 CDAERP CC(C)CC[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001482205740 1160031178 /nfs/dbraw/zinc/03/11/78/1160031178.db2.gz AHNAJMGZBPJYGK-OAHLLOKOSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@H]1C[C@H]([NH2+]CCCF)CN1C(=O)CC[NH+]1CCCCC1 ZINC001700854823 1160038313 /nfs/dbraw/zinc/03/83/13/1160038313.db2.gz UVCIKXFQRDTWKA-GJZGRUSLSA-N 2 0 299.434 1.801 10 0 CDAERP FC1(F)C[C@@H]1OCC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000662276017 482236059 /nfs/dbraw/zinc/23/60/59/482236059.db2.gz IHLDXZMBQDKMEQ-XQQFMLRXSA-N 2 0 274.355 1.875 10 0 CDAERP c1ccc2c(c1)CCCN2CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000677761612 482267884 /nfs/dbraw/zinc/26/78/84/482267884.db2.gz QQWJPUTXGJQYLU-HZPDHXFCSA-N 2 0 271.408 1.590 10 0 CDAERP Cc1ccnc([C@@H]2CCN(C[C@H](O)C[N@@H+](C)C(C)C)C2)c1 ZINC000660735332 482302494 /nfs/dbraw/zinc/30/24/94/482302494.db2.gz QCFORTZHFRROLB-HZPDHXFCSA-N 2 0 291.439 1.880 10 0 CDAERP COC[C@H](C)C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000668782411 482310626 /nfs/dbraw/zinc/31/06/26/482310626.db2.gz CVZZUUSADJKIED-CYBMUJFWSA-N 2 0 254.418 1.981 10 0 CDAERP CC(C)([NH3+])CCC(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000653170539 482479587 /nfs/dbraw/zinc/47/95/87/482479587.db2.gz JSACBPRUZTXJSM-UHFFFAOYSA-N 2 0 253.390 1.234 10 0 CDAERP C[NH+](C)C1(CNC(=O)NC/C=C/C[NH3+])CCCCCC1 ZINC000668715820 482506203 /nfs/dbraw/zinc/50/62/03/482506203.db2.gz XRVOXRNFFDIREK-BQYQJAHWSA-N 2 0 282.432 1.455 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000417372903 482585313 /nfs/dbraw/zinc/58/53/13/482585313.db2.gz AAECTSQUGBDAKO-HUUCEWRRSA-N 2 0 296.459 1.678 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)[C@H]([NH3+])CC(C)C)CC1 ZINC000236759270 482609349 /nfs/dbraw/zinc/60/93/49/482609349.db2.gz ABYGEVAIEXWEGZ-CQSZACIVSA-N 2 0 269.433 1.598 10 0 CDAERP C[NH+](C)CCn1cc(NC(=O)c2ccc(C[NH3+])cc2)cn1 ZINC000236993156 482633168 /nfs/dbraw/zinc/63/31/68/482633168.db2.gz SCZCJZRATNGTNA-UHFFFAOYSA-N 2 0 287.367 1.156 10 0 CDAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)CC1([NH3+])CCC1 ZINC000237011891 482633758 /nfs/dbraw/zinc/63/37/58/482633758.db2.gz HTIVPOUPSZFIET-OAHLLOKOSA-N 2 0 289.423 1.547 10 0 CDAERP C[NH+](C)Cc1cc(CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])ccc1F ZINC000237048260 482636239 /nfs/dbraw/zinc/63/62/39/482636239.db2.gz OWHVKWAXTCOOJD-HIFRSBDPSA-N 2 0 293.386 1.631 10 0 CDAERP C[C@H]([NH3+])CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000669545852 482643215 /nfs/dbraw/zinc/64/32/15/482643215.db2.gz GIXWKALQAGIASN-YUTCNCBUSA-N 2 0 276.384 1.078 10 0 CDAERP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000684117329 482655014 /nfs/dbraw/zinc/65/50/14/482655014.db2.gz KOJPVGDBOWLIJW-ZIAGYGMSSA-N 2 0 296.459 1.500 10 0 CDAERP C[C@@H]1C[C@H](C)[N@H+]1C[C@H](O)CN(C)Cc1ccccc1 ZINC000684208549 482702864 /nfs/dbraw/zinc/70/28/64/482702864.db2.gz NUSDTQBZVGNXJX-IJEWVQPXSA-N 2 0 262.397 1.962 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000228232094 482786574 /nfs/dbraw/zinc/78/65/74/482786574.db2.gz QMEMCBLPBCXWNM-SOUVJXGZSA-N 2 0 279.428 1.448 10 0 CDAERP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000403571978 482798193 /nfs/dbraw/zinc/79/81/93/482798193.db2.gz XTKADSIBFDFQJS-WCVJEAGWSA-N 2 0 263.429 1.402 10 0 CDAERP CC(C)[C@H](C[NH2+][C@H]1CN(C)C[C@H]1C)c1ccnn1C ZINC000682617882 482848647 /nfs/dbraw/zinc/84/86/47/482848647.db2.gz ZVYSTTNFQSPMJQ-RDBSUJKOSA-N 2 0 264.417 1.699 10 0 CDAERP O=C(CCCn1ccnc1)NC1CC([NH+]2CCCCC2)C1 ZINC000684508214 482858426 /nfs/dbraw/zinc/85/84/26/482858426.db2.gz QABXUGNPJZPRRV-UHFFFAOYSA-N 2 0 290.411 1.796 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN[C@H]1CCC[NH2+]CC1 ZINC000666856645 482952411 /nfs/dbraw/zinc/95/24/11/482952411.db2.gz WASHZNAAAQVUTE-HNNXBMFYSA-N 2 0 285.395 1.807 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)[C@H](C)[NH+](C)C)CC1 ZINC000674287817 482987052 /nfs/dbraw/zinc/98/70/52/482987052.db2.gz FSYGJLQVNMPUJD-ZDUSSCGKSA-N 2 0 269.433 1.517 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000669433249 483093484 /nfs/dbraw/zinc/09/34/84/483093484.db2.gz AGHPVSOXGDGXLH-HNNXBMFYSA-N 2 0 296.459 1.550 10 0 CDAERP CCN1CC[NH+](CCCC[NH2+]C2CSC2)CC1 ZINC000679625271 483397797 /nfs/dbraw/zinc/39/77/97/483397797.db2.gz PZTLNTZPAZSPOX-UHFFFAOYSA-N 2 0 257.447 1.109 10 0 CDAERP OC[C@@]1(F)CCN(Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668112747 483567707 /nfs/dbraw/zinc/56/77/07/483567707.db2.gz WAQUJTHRVIIMHK-CQSZACIVSA-N 2 0 276.315 1.174 10 0 CDAERP CC(C)C[NH+]1CCN(CC[NH2+][C@H](C)[C@@H]2CCCO2)CC1 ZINC000055076044 519726243 /nfs/dbraw/zinc/72/62/43/519726243.db2.gz LIRSDCNMPJGKQD-CVEARBPZSA-N 2 0 283.460 1.417 10 0 CDAERP CC(C)[NH2+][C@@](C)(C[C@H](C)N1C[C@@H](C)O[C@@H](C)C1)C(N)=O ZINC000068619459 519736845 /nfs/dbraw/zinc/73/68/45/519736845.db2.gz JHQFSUHQGDQJBJ-XPCVCDNBSA-N 2 0 285.432 1.116 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cccc(C[NH3+])c1 ZINC000049551586 519775762 /nfs/dbraw/zinc/77/57/62/519775762.db2.gz UZFAALYBRSATEY-HNNXBMFYSA-N 2 0 277.412 1.851 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)NC[C@@H](C(CC)CC)[NH+](C)C ZINC000061267231 519936497 /nfs/dbraw/zinc/93/64/97/519936497.db2.gz JVSVZDNQUUDOBE-OCCSQVGLSA-N 2 0 271.449 1.715 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000061266059 519960791 /nfs/dbraw/zinc/96/07/91/519960791.db2.gz GURDSGIXUZYZPU-AWEZNQCLSA-N 2 0 281.444 1.566 10 0 CDAERP CC[NH2+]Cc1cc(C[NH+](CCOC)CCOC)c(C)o1 ZINC000052571506 519988223 /nfs/dbraw/zinc/98/82/23/519988223.db2.gz ISBKRCUHHYQBHX-UHFFFAOYSA-N 2 0 284.400 1.792 10 0 CDAERP CCC[NH2+][C@@H](C)C[C@H](C)N1CCN(CC[NH+](C)C)CC1 ZINC000068654883 519986734 /nfs/dbraw/zinc/98/67/34/519986734.db2.gz PJKOMYGUHLWJDL-HOTGVXAUSA-N 2 0 284.492 1.332 10 0 CDAERP CC[NH2+]Cc1cn(CC[N@H+](C)[C@H](C)C(C)(C)C)nn1 ZINC000052504443 520012898 /nfs/dbraw/zinc/01/28/98/520012898.db2.gz AYNQPVVGSOCLNR-GFCCVEGCSA-N 2 0 267.421 1.754 10 0 CDAERP CC[NH2+]Cc1sc(N2CCC[N@H+](C)CC2)nc1C ZINC000054968948 520033149 /nfs/dbraw/zinc/03/31/49/520033149.db2.gz SXXZMMVPGDOADY-UHFFFAOYSA-N 2 0 268.430 1.703 10 0 CDAERP CC[NH+](CC)CC[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001772487819 1161113581 /nfs/dbraw/zinc/11/35/81/1161113581.db2.gz JGKLHCCYTSDMFA-AWEZNQCLSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000252207449 1161135315 /nfs/dbraw/zinc/13/53/15/1161135315.db2.gz VKMBGMVITOJNAB-RBSFLKMASA-N 2 0 281.444 1.885 10 0 CDAERP CCC[NH2+]CC[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001272599482 1161149956 /nfs/dbraw/zinc/14/99/56/1161149956.db2.gz TWTMIWAUFFHYGV-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP CCC[NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CCCC1 ZINC001484012382 1161245844 /nfs/dbraw/zinc/24/58/44/1161245844.db2.gz IUGSZEHBHUSPPG-HNNXBMFYSA-N 2 0 293.455 1.757 10 0 CDAERP CCC[C@@H](C)[C@H](C[NH3+])N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062978443 520672732 /nfs/dbraw/zinc/67/27/32/520672732.db2.gz QLWORCNVQZHAOV-ILXRZTDVSA-N 2 0 253.434 1.920 10 0 CDAERP CC[N@H+](C[C@@H]1CCCO1)CC1(C[NH2+]C)CCOCC1 ZINC000052182560 521225623 /nfs/dbraw/zinc/22/56/23/521225623.db2.gz ZUVQJLGMBNMUHP-AWEZNQCLSA-N 2 0 270.417 1.504 10 0 CDAERP CCC[NH2+][C@H]1C[C@@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001714016516 1178928687 /nfs/dbraw/zinc/92/86/87/1178928687.db2.gz QWEXVGVJUOQNDG-BETUJISGSA-N 2 0 255.406 1.365 10 0 CDAERP CCc1nc(N2CC[NH+](CC(C)C)CC2)sc1C[NH3+] ZINC000055076598 522386277 /nfs/dbraw/zinc/38/62/77/522386277.db2.gz ANLCAOFWLIAWIY-UHFFFAOYSA-N 2 0 282.457 1.942 10 0 CDAERP C[C@@H](C[NH2+]CCCF)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001732438219 1182966277 /nfs/dbraw/zinc/96/62/77/1182966277.db2.gz VCUMPCLFHUHHEB-LBPRGKRZSA-N 2 0 273.396 1.124 10 0 CDAERP CC(C)(C)[NH+]1CCC([NH2+]CCc2cn[nH]c2)CC1 ZINC000353633112 518707632 /nfs/dbraw/zinc/70/76/32/518707632.db2.gz WFAXFBPBFURGPT-UHFFFAOYSA-N 2 0 250.390 1.805 10 0 CDAERP CC(C)(C)[NH+]1CCN(C(=O)[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000055090582 518710533 /nfs/dbraw/zinc/71/05/33/518710533.db2.gz HZDFLHKXJHAEPY-STQMWFEESA-N 2 0 267.417 1.447 10 0 CDAERP CC(C)[NH+](CCNC(=O)[C@@H]1CCC[C@H]([NH3+])[C@@H]1C)C(C)C ZINC000055125012 519647581 /nfs/dbraw/zinc/64/75/81/519647581.db2.gz URMOBEKOUKYNPS-KFWWJZLASA-N 2 0 283.460 1.985 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000052882318 519716275 /nfs/dbraw/zinc/71/62/75/519716275.db2.gz QDDSVDXETIAVFH-KRWDZBQOSA-N 2 0 291.439 1.907 10 0 CDAERP CC(C)[NH2+]CC1(C[N@@H+](C)C[C@H](C)O)CCOCC1 ZINC000052198272 519719562 /nfs/dbraw/zinc/71/95/62/519719562.db2.gz ONTOMTDPZBASET-ZDUSSCGKSA-N 2 0 258.406 1.094 10 0 CDAERP CC(C)C[NH+]1CCN(C[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000055082074 519726603 /nfs/dbraw/zinc/72/66/03/519726603.db2.gz ZWTRMIRZNFEXAG-HUUCEWRRSA-N 2 0 253.434 1.778 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000055089809 519775326 /nfs/dbraw/zinc/77/53/26/519775326.db2.gz PTQWMEBKMVFEGO-IHRRRGAJSA-N 2 0 269.433 1.596 10 0 CDAERP CCC[NH+]1CCC(NC(=O)C[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000055141549 519844804 /nfs/dbraw/zinc/84/48/04/519844804.db2.gz IKCPQRXGJKYWNY-ZIAGYGMSSA-N 2 0 281.444 1.885 10 0 CDAERP CCC[NH+]1CCN([C@H](C[NH2+]C)c2ccccc2)CC1 ZINC000052422093 519859657 /nfs/dbraw/zinc/85/96/57/519859657.db2.gz IGAMOWAWEYOJGY-MRXNPFEDSA-N 2 0 261.413 1.975 10 0 CDAERP CCOCCC[NH2+]C[C@@H](C)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055075259 519896750 /nfs/dbraw/zinc/89/67/50/519896750.db2.gz XZTFZFRRKNDXCL-JKSUJKDBSA-N 2 0 285.476 1.807 10 0 CDAERP CCC[NH2+]CC1(C[NH+]2CCC(OC)CC2)CCOCC1 ZINC000052181515 519909621 /nfs/dbraw/zinc/90/96/21/519909621.db2.gz HJONNXWJJJOGKS-UHFFFAOYSA-N 2 0 284.444 1.894 10 0 CDAERP CC[NH2+]CCC(=O)N(CC[NH+](CC)CC)CC(C)C ZINC000061295303 519915622 /nfs/dbraw/zinc/91/56/22/519915622.db2.gz MSGNCLNQPDURTB-UHFFFAOYSA-N 2 0 271.449 1.812 10 0 CDAERP CCC[NH2+]Cc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000052379284 519954685 /nfs/dbraw/zinc/95/46/85/519954685.db2.gz RFPRYYKKWRRBBU-UHFFFAOYSA-N 2 0 261.413 1.934 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)N1CC[NH+]([C@H](C)CC)CC1 ZINC000061268444 519960329 /nfs/dbraw/zinc/96/03/29/519960329.db2.gz GENVQRBHDIHMPT-QWHCGFSZSA-N 2 0 255.406 1.175 10 0 CDAERP CCC[NH2+][C@@](C)(C[C@H](C)N(C)C1CC[NH+](C)CC1)C(N)=O ZINC000068621252 520043569 /nfs/dbraw/zinc/04/35/69/520043569.db2.gz OCBZIEUCSCMPRP-BBRMVZONSA-N 2 0 298.475 1.035 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000061273681 520166192 /nfs/dbraw/zinc/16/61/92/520166192.db2.gz NWUCYQGUYLONSR-VXGBXAGGSA-N 2 0 283.441 1.855 10 0 CDAERP CC[NH+](CC)CCNC(=O)C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000055123008 520669693 /nfs/dbraw/zinc/66/96/93/520669693.db2.gz RKAMWEDEGQGHAU-OLZOCXBDSA-N 2 0 255.406 1.352 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000062972674 520871140 /nfs/dbraw/zinc/87/11/40/520871140.db2.gz DYDBTXDKXVNPOA-VGWMRTNUSA-N 2 0 293.455 1.850 10 0 CDAERP CCN(CC1CC1)C1(C[NH3+])C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000069237566 520958410 /nfs/dbraw/zinc/95/84/10/520958410.db2.gz WZGAJJNJBMHSQJ-YIONKMFJSA-N 2 0 251.418 1.672 10 0 CDAERP CC[N@H+](CCn1ccnc1C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000049331260 521186033 /nfs/dbraw/zinc/18/60/33/521186033.db2.gz GGEQVBRMPWPEME-YIONKMFJSA-N 2 0 262.401 1.796 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@@H]2CC[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000055140085 521549111 /nfs/dbraw/zinc/54/91/11/521549111.db2.gz QNZHMSXNIFZEFA-NWANDNLSSA-N 2 0 281.444 1.598 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)C[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000055129406 521552613 /nfs/dbraw/zinc/55/26/13/521552613.db2.gz JNIUPTWRRVHLCR-KGLIPLIRSA-N 2 0 281.444 1.837 10 0 CDAERP CC[NH+]1CCC(N(C)Cc2cc(C)c(C[NH3+])o2)CC1 ZINC000052544016 521564820 /nfs/dbraw/zinc/56/48/20/521564820.db2.gz VIDSROKBWPORSV-UHFFFAOYSA-N 2 0 265.401 1.963 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)C1CCC(C[NH3+])CC1 ZINC000055145862 521635101 /nfs/dbraw/zinc/63/51/01/521635101.db2.gz QZYPELNRJXEWSP-JXQTWKCFSA-N 2 0 267.417 1.352 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)C1CCC(C[NH3+])CC1 ZINC000055162767 521654783 /nfs/dbraw/zinc/65/47/83/521654783.db2.gz JNZDGLQWDZYQOP-UHFFFAOYSA-N 2 0 269.433 1.552 10 0 CDAERP CCOC1CC[NH+](C[C@H]2CC[C@H](C[NH2+]C3CC3)O2)CC1 ZINC000052484092 521656214 /nfs/dbraw/zinc/65/62/14/521656214.db2.gz PXYKSDBVDWMLNV-HZPDHXFCSA-N 2 0 282.428 1.787 10 0 CDAERP CCOCCCC[NH2+]CCN1CC[NH+](CC(C)C)CC1 ZINC000055075607 521703488 /nfs/dbraw/zinc/70/34/88/521703488.db2.gz LYWRNEVZMQNDCD-UHFFFAOYSA-N 2 0 285.476 1.666 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)C2CC[NH2+]CC2)[C@@H](C)C1 ZINC000236902654 521711699 /nfs/dbraw/zinc/71/16/99/521711699.db2.gz MFXKRGCYHBXWDE-GXTWGEPZSA-N 2 0 267.417 1.175 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000061645147 521863221 /nfs/dbraw/zinc/86/32/21/521863221.db2.gz PCEWFBZZRVPPHK-ZBFHGGJFSA-N 2 0 275.396 1.413 10 0 CDAERP C[NH2+]C(C)(C)C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000061318345 521937610 /nfs/dbraw/zinc/93/76/10/521937610.db2.gz MYIRZRDHFIAEAD-ZDUSSCGKSA-N 2 0 263.385 1.404 10 0 CDAERP C[NH2+]C[C@@H]1CC[C@H](CN2CC[NH+](C(C)(C)C)CC2)O1 ZINC000052571688 522062521 /nfs/dbraw/zinc/06/25/21/522062521.db2.gz USLYMHNXRBNQSI-UONOGXRCSA-N 2 0 269.433 1.170 10 0 CDAERP C[NH2+]Cc1c(N2CCC[C@H]2C[NH+](C)C)nc2sccn12 ZINC000061646081 522101656 /nfs/dbraw/zinc/10/16/56/522101656.db2.gz KUIODGBGWGXKDL-NSHDSACASA-N 2 0 293.440 1.646 10 0 CDAERP CC[C@@H](C)[NH+]1CCN([C@@H](c2cnn(C)c2)[C@@H](C)[NH3+])CC1 ZINC000055063665 522128275 /nfs/dbraw/zinc/12/82/75/522128275.db2.gz USAOHAHSKTUAQA-UMVBOHGHSA-N 2 0 279.432 1.225 10 0 CDAERP CC[C@@H](C)[NH+]1CCN([C@H](c2cnn(C)c2)[C@@H](C)[NH3+])CC1 ZINC000055063669 522132359 /nfs/dbraw/zinc/13/23/59/522132359.db2.gz USAOHAHSKTUAQA-NFAWXSAZSA-N 2 0 279.432 1.225 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(c2c(C[NH2+]C)c(C)nn2C)CC1 ZINC000055068725 522134029 /nfs/dbraw/zinc/13/40/29/522134029.db2.gz ABOFWCSHUBIOHX-GFCCVEGCSA-N 2 0 279.432 1.368 10 0 CDAERP C[NH2+][C@@H](CN1CCC(C[NH+]2CCCC2)CC1)C1CC1 ZINC000069075194 522354365 /nfs/dbraw/zinc/35/43/65/522354365.db2.gz MNGUQGRXZYNXQS-INIZCTEOSA-N 2 0 265.445 1.792 10 0 CDAERP CN[C@](C)(C[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1)C(=O)OC ZINC000068632244 522523314 /nfs/dbraw/zinc/52/33/14/522523314.db2.gz LNVBOLODAXPDHF-XJKSGUPXSA-N 2 0 299.459 1.190 10 0 CDAERP C[N@H+](CCOc1ccc(C[NH3+])cc1)CC1CCOCC1 ZINC000069051857 522905893 /nfs/dbraw/zinc/90/58/93/522905893.db2.gz UJSALWIZPMZCOI-UHFFFAOYSA-N 2 0 278.396 1.883 10 0 CDAERP COCC1CC[NH+](CCC[C@](C)([NH2+]C2CC2)C(N)=O)CC1 ZINC000069507402 522932975 /nfs/dbraw/zinc/93/29/75/522932975.db2.gz QWMKOWNBZKPRDO-INIZCTEOSA-N 2 0 297.443 1.121 10 0 CDAERP C[N@H+](CCn1cc(C[NH2+]C(C)(C)C)nn1)[C@@H]1CCSC1 ZINC000052453403 522998316 /nfs/dbraw/zinc/99/83/16/522998316.db2.gz OLRUQRYNTUZXIJ-CYBMUJFWSA-N 2 0 297.472 1.604 10 0 CDAERP CC[C@H]1CN([C@@H]2C[NH2+]Cc3ccccc32)CC[N@@H+]1C ZINC000069267583 523303297 /nfs/dbraw/zinc/30/32/97/523303297.db2.gz HINCOXDQOLSZLO-GOEBONIOSA-N 2 0 259.397 1.857 10 0 CDAERP CC[C@]1(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC[NH2+]C1 ZINC000062899755 523539644 /nfs/dbraw/zinc/53/96/44/523539644.db2.gz VXJPNFFZETWVFJ-WFASDCNBSA-N 2 0 295.452 1.857 10 0 CDAERP COCC[N@H+](C)CCn1ccc2c1CCC[C@H]2[NH3+] ZINC000061380808 523620619 /nfs/dbraw/zinc/62/06/19/523620619.db2.gz RYJBNXVAKGZIAW-CYBMUJFWSA-N 2 0 251.374 1.402 10 0 CDAERP COCC[N@H+](C[C@H]1CC[C@@H](C[NH2+]C(C)C)O1)C1CC1 ZINC000052542518 523733381 /nfs/dbraw/zinc/73/33/81/523733381.db2.gz YRZRYZOMWPGRKI-LSDHHAIUSA-N 2 0 270.417 1.643 10 0 CDAERP C[NH+]1CCC(NC(=O)CCC2CCC([NH3+])CC2)CC1 ZINC000055126726 523770359 /nfs/dbraw/zinc/77/03/59/523770359.db2.gz OGLSYXAVUFBEIC-UHFFFAOYSA-N 2 0 267.417 1.495 10 0 CDAERP C[NH+]1CCCC[C@H]1CNCC[C@@H]1CCCC[N@H+]1C ZINC000052206138 523797010 /nfs/dbraw/zinc/79/70/10/523797010.db2.gz LFOMXFDIXRMXCP-GJZGRUSLSA-N 2 0 253.434 1.935 10 0 CDAERP CN(C(=O)C[N@H+](CCC[NH3+])C1CCCCCC1)C1CC1 ZINC000049304141 523813892 /nfs/dbraw/zinc/81/38/92/523813892.db2.gz HXTQRJBRVZAJGY-UHFFFAOYSA-N 2 0 281.444 1.981 10 0 CDAERP CN(C(=O)[C@@H]1CCC[C@@H](C[NH3+])C1)C1CC[NH+](C)CC1 ZINC000055145642 523897711 /nfs/dbraw/zinc/89/77/11/523897711.db2.gz GNUKXSZCHOMKJN-CHWSQXEVSA-N 2 0 267.417 1.304 10 0 CDAERP COCC[NH2+]Cc1ccccc1N1CCC[C@H]1C[NH+](C)C ZINC000062738238 523955446 /nfs/dbraw/zinc/95/54/46/523955446.db2.gz UPEIRQJYXLHJKG-INIZCTEOSA-N 2 0 291.439 1.953 10 0 CDAERP CC[C@H](C)[NH+]1CCN(Cc2cc(C[NH3+])c(C)o2)CC1 ZINC000055073643 523955965 /nfs/dbraw/zinc/95/59/65/523955965.db2.gz QCMAGUNILXXLNB-LBPRGKRZSA-N 2 0 265.401 1.963 10 0 CDAERP C[N@@H+]1CC[C@H](CNC(=O)CCC2CCC([NH3+])CC2)C1 ZINC000055130428 523978506 /nfs/dbraw/zinc/97/85/06/523978506.db2.gz DJRMGGJNARPUQQ-ROKHWSDSSA-N 2 0 267.417 1.352 10 0 CDAERP C[NH+](C)C(C)(C)CNC(=O)CCC1CCC([NH3+])CC1 ZINC000055141742 524032522 /nfs/dbraw/zinc/03/25/22/524032522.db2.gz VWITYOWLDASBDV-UHFFFAOYSA-N 2 0 269.433 1.741 10 0 CDAERP C[NH+](C)CC1CCN(C(=O)C[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000055134946 524048778 /nfs/dbraw/zinc/04/87/78/524048778.db2.gz RNFQRCOUQXKMSX-HUUCEWRRSA-N 2 0 281.444 1.694 10 0 CDAERP C[NH+](C)CCCOc1cc(Cl)ccc1C(N)=[NH2+] ZINC000062789177 524058166 /nfs/dbraw/zinc/05/81/66/524058166.db2.gz JXRSJPMJOYGVSY-UHFFFAOYSA-N 2 0 255.749 1.955 10 0 CDAERP C[C@H]1CCC[C@@H](C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)[C@@H]1[NH3+] ZINC000055131563 524125283 /nfs/dbraw/zinc/12/52/83/524125283.db2.gz GCYKZPCCWBJEKS-REWJHTLYSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@@H](C[NH3+])C[N@@H+]1CCCN(c2ncccc2F)CC1 ZINC000054700361 524582501 /nfs/dbraw/zinc/58/25/01/524582501.db2.gz OZSUJLFXOZJCOZ-LBPRGKRZSA-N 2 0 266.364 1.328 10 0 CDAERP C[C@@H]1CC[C@@H]([NH3+])C[C@@H]1C(=O)NCC[NH+]1CCCCCC1 ZINC000055136247 524601875 /nfs/dbraw/zinc/60/18/75/524601875.db2.gz DHTNEWGERBIIKE-KFWWJZLASA-N 2 0 281.444 1.742 10 0 CDAERP C[C@H]([NH3+])[C@@H](c1cccnc1)N1CCC[C@@H]1C[NH+](C)C ZINC000061642230 524837908 /nfs/dbraw/zinc/83/79/08/524837908.db2.gz MFPMJDQLLCNSPS-CFVMTHIKSA-N 2 0 262.401 1.496 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCC[C@@H]1C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000055134916 525087899 /nfs/dbraw/zinc/08/78/99/525087899.db2.gz HVSSVUDGXHRBQS-SNPRPXQTSA-N 2 0 281.444 1.550 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000246578242 525380781 /nfs/dbraw/zinc/38/07/81/525380781.db2.gz VLHGZJIMVMZUSC-LJISPDSOSA-N 2 0 295.471 1.987 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000246732074 526249414 /nfs/dbraw/zinc/24/94/14/526249414.db2.gz YKOXKNBVFIOMIL-QWHCGFSZSA-N 2 0 253.390 1.119 10 0 CDAERP O[C@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)C1CC1 ZINC000069092165 526270768 /nfs/dbraw/zinc/27/07/68/526270768.db2.gz ROLAQVKWRYFYOT-OAHLLOKOSA-N 2 0 252.402 1.565 10 0 CDAERP Cc1nc(N2CC[NH+](C(C)(C)C)CC2)sc1C[NH3+] ZINC000055001479 526966890 /nfs/dbraw/zinc/96/68/90/526966890.db2.gz VCPFTHHMCCXOTR-UHFFFAOYSA-N 2 0 268.430 1.831 10 0 CDAERP [NH3+]C1CCC(CCC(=O)NCC[NH+]2CCCC2)CC1 ZINC000055131691 527139646 /nfs/dbraw/zinc/13/96/46/527139646.db2.gz VKTKQJZBXZNZNH-UHFFFAOYSA-N 2 0 267.417 1.496 10 0 CDAERP [NH3+][C@H]1CCCC[C@@H]1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000055088334 527395483 /nfs/dbraw/zinc/39/54/83/527395483.db2.gz MTUUBJNKEZDQSH-GJZGRUSLSA-N 2 0 279.428 1.591 10 0 CDAERP CC[NH+](CC)Cc1ccccc1CNC1=[NH+]CCCN1 ZINC000261905008 535610593 /nfs/dbraw/zinc/61/05/93/535610593.db2.gz WWOAWORMRVIOND-UHFFFAOYSA-N 2 0 274.412 1.967 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000422883633 536850181 /nfs/dbraw/zinc/85/01/81/536850181.db2.gz COUBMQYPIAREAG-KBPBESRZSA-N 2 0 278.396 1.896 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC000729700421 574821303 /nfs/dbraw/zinc/82/13/03/574821303.db2.gz SHUYPZFIVHZOBB-HNNXBMFYSA-N 2 0 281.444 1.853 10 0 CDAERP Cc1nc[nH]c1CC(=O)NCCC[N@@H+](C)CCC1CC1 ZINC001689881794 1175294847 /nfs/dbraw/zinc/29/48/47/1175294847.db2.gz CGZFMHZRCNNRKL-UHFFFAOYSA-N 2 0 278.400 1.499 10 0 CDAERP O=C(NCC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)C1CC1 ZINC000925510542 617412124 /nfs/dbraw/zinc/41/21/24/617412124.db2.gz WRCYVGPZNBFZSS-GJZGRUSLSA-N 2 0 279.428 1.271 10 0 CDAERP C[NH+](C)C1(CN[C@H]2C[C@@H]([NH3+])C23CCC3)Cc2ccccc2C1 ZINC000925519730 617431120 /nfs/dbraw/zinc/43/11/20/617431120.db2.gz JGHGARIIVIOYEB-SJORKVTESA-N 2 0 299.462 1.945 10 0 CDAERP C[NH+](C)C1(CN[C@H]2C[C@H]([NH3+])C23CCC3)Cc2ccccc2C1 ZINC000925519725 617431449 /nfs/dbraw/zinc/43/14/49/617431449.db2.gz JGHGARIIVIOYEB-IRXDYDNUSA-N 2 0 299.462 1.945 10 0 CDAERP C[NH+](C)C1CCN(CC[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925532936 617465334 /nfs/dbraw/zinc/46/53/34/617465334.db2.gz YXDKFWZQRVOPJP-CABCVRRESA-N 3 0 296.503 1.508 10 0 CDAERP COCCOCCCC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925541337 617483370 /nfs/dbraw/zinc/48/33/70/617483370.db2.gz KXBWCXXDOHPYMM-UONOGXRCSA-N 2 0 272.433 1.925 10 0 CDAERP CC(C)[C@H](O)C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925617234 617562646 /nfs/dbraw/zinc/56/26/46/617562646.db2.gz BVSWXIXVEXXCTF-SOUVJXGZSA-N 2 0 254.418 1.761 10 0 CDAERP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)[C@H](O)Cc1ccccc1 ZINC000925619078 617564112 /nfs/dbraw/zinc/56/41/12/617564112.db2.gz XOWUGJPJXMXMQV-LCGIIJARSA-N 2 0 274.408 1.838 10 0 CDAERP CC(C)(CCO)C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925623928 617570558 /nfs/dbraw/zinc/57/05/58/617570558.db2.gz UURXARVZEMYHHZ-AGIUHOORSA-N 2 0 254.418 1.761 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)C(C)(C)C ZINC000925857381 617896851 /nfs/dbraw/zinc/89/68/51/617896851.db2.gz ZOJADXVDPXVRPE-RYUDHWBXSA-N 2 0 268.401 1.696 10 0 CDAERP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)C1(S(C)(=O)=O)CC1 ZINC000925669307 617626626 /nfs/dbraw/zinc/62/66/26/617626626.db2.gz AGUBDXXSLQCYQA-TUAOUCFPSA-N 2 0 288.457 1.448 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)N[C@H]1CC[NH2+]C12CCC2 ZINC000925676629 617642304 /nfs/dbraw/zinc/64/23/04/617642304.db2.gz OEMLQGYFGQVJJA-KBPBESRZSA-N 2 0 253.434 1.981 10 0 CDAERP C[N@H+](CC[C@@H]1COC(C)(C)O1)C[C@@H]1CCC[NH+](C)C1 ZINC000851782323 617647470 /nfs/dbraw/zinc/64/74/70/617647470.db2.gz QMIDHDHGWKVZMG-ZIAGYGMSSA-N 2 0 270.417 1.802 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000925773731 617654857 /nfs/dbraw/zinc/65/48/57/617654857.db2.gz OQORDEHFZHVXLT-MJBXVCDLSA-N 2 0 256.390 1.432 10 0 CDAERP CC[C@@H](C)[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925806781 617747512 /nfs/dbraw/zinc/74/75/12/617747512.db2.gz AQLUBJLFYRPJSS-CQSZACIVSA-N 2 0 261.413 1.980 10 0 CDAERP CCCC[C@@H](C[NH3+])N[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925700956 617748977 /nfs/dbraw/zinc/74/89/77/617748977.db2.gz XSJHAQGNUSVOMZ-RFQIPJPRSA-N 2 0 253.434 1.870 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000925717665 617837570 /nfs/dbraw/zinc/83/75/70/617837570.db2.gz CTYRUWYPGNILKW-BFHYXJOUSA-N 2 0 256.390 1.017 10 0 CDAERP CC1(C)[C@@H]([NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925833508 617859039 /nfs/dbraw/zinc/85/90/39/617859039.db2.gz SQTWXVGHRPNOPA-JNWWKETESA-N 2 0 280.412 1.157 10 0 CDAERP CC(C)(C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)CS(C)(=O)=O ZINC000925834094 617860459 /nfs/dbraw/zinc/86/04/59/617860459.db2.gz WAXPYCXHNUIJDJ-RYUDHWBXSA-N 2 0 290.473 1.553 10 0 CDAERP Cc1cc(CC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])nn1C ZINC000925834328 617862055 /nfs/dbraw/zinc/86/20/55/617862055.db2.gz NCUKBHMZSICUEB-OCCSQVGLSA-N 2 0 250.390 1.378 10 0 CDAERP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC[C@H]1CNC(=O)C1 ZINC000925838736 617869381 /nfs/dbraw/zinc/86/93/81/617869381.db2.gz NULBXPHWSWRDMI-NWANDNLSSA-N 2 0 275.396 1.061 10 0 CDAERP C[C@H]1COCC[C@@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925846896 617881937 /nfs/dbraw/zinc/88/19/37/617881937.db2.gz PVNNKOFRFMFUNF-GJZGRUSLSA-N 2 0 269.433 1.077 10 0 CDAERP CO[C@@H](C)[C@H](C)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925847479 617883321 /nfs/dbraw/zinc/88/33/21/617883321.db2.gz YAJHAEBSTMTKCZ-KBPBESRZSA-N 2 0 257.422 1.075 10 0 CDAERP C[C@@H]1C[C@H]([NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)[C@@H](C)O1 ZINC000925724628 617927205 /nfs/dbraw/zinc/92/72/05/617927205.db2.gz BTFCEXYJNHLLFK-TVQXOTEMSA-N 2 0 252.402 1.919 10 0 CDAERP C[C@@H]([NH3+])C[C@@H](C)[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925883099 617970493 /nfs/dbraw/zinc/97/04/93/617970493.db2.gz VNDKBAAJEOTVFT-XOUADPBQSA-N 3 0 261.413 1.761 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000925765347 618144834 /nfs/dbraw/zinc/14/48/34/618144834.db2.gz MWKHMAGPIRLWLU-GXYBRJDSSA-N 2 0 252.402 1.907 10 0 CDAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCC2(OC)OC)CC1 ZINC000924948371 618369132 /nfs/dbraw/zinc/36/91/32/618369132.db2.gz CPRUQWBDYBJDHN-CABCVRRESA-N 2 0 299.459 1.001 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+][C@H](C2CC2)[C@H]2CCCOC2)CC1 ZINC000925110978 619308024 /nfs/dbraw/zinc/30/80/24/619308024.db2.gz BCJDMQFHJSRDNW-LSDHHAIUSA-N 2 0 282.428 1.238 10 0 CDAERP C[C@H]1C[N@H+](CC2=CCCOC2)CCN1c1cc[nH+]cc1 ZINC000895556515 619725498 /nfs/dbraw/zinc/72/54/98/619725498.db2.gz JIOCZLWTHYWBCD-AWEZNQCLSA-N 2 0 273.380 1.939 10 0 CDAERP C[C@@H](NC(=[NH2+])NCC[N@@H+]1CCC[C@H](C)C1)C1CC1 ZINC000899266067 622130553 /nfs/dbraw/zinc/13/05/53/622130553.db2.gz PFVAQTCIEJSHFR-NWDGAFQWSA-N 2 0 252.406 1.631 10 0 CDAERP C[C@@H](NC(=[NH2+])NCC1(C)CC[NH+](C)CC1)C1CC1 ZINC000899269460 622146233 /nfs/dbraw/zinc/14/62/33/622146233.db2.gz ALDBKPJRCONQFA-LLVKDONJSA-N 2 0 252.406 1.631 10 0 CDAERP OC1CC[NH+](CCCN[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000924757834 622294107 /nfs/dbraw/zinc/29/41/07/622294107.db2.gz WBBMORDLEUVRMS-IRXDYDNUSA-N 2 0 295.471 1.440 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)C12CC[NH+](CC1)C2)c1ccsc1 ZINC000900136996 622729014 /nfs/dbraw/zinc/72/90/14/622729014.db2.gz VDXLCMVFYTZQRW-CYBMUJFWSA-N 2 0 293.436 1.563 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC000900209089 622804463 /nfs/dbraw/zinc/80/44/63/622804463.db2.gz OOZVMJBDJALZMH-PMPSAXMXSA-N 2 0 293.455 1.994 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)C[NH+]1CCCC1 ZINC000900273398 622860003 /nfs/dbraw/zinc/86/00/03/622860003.db2.gz XSXACHRKHWJGBK-PMPSAXMXSA-N 2 0 293.455 1.851 10 0 CDAERP O=C(N1CCC[C@@H]([NH+]2CCCC2)CC1)C12CC[NH+](CC1)C2 ZINC000900780450 623472421 /nfs/dbraw/zinc/47/24/21/623472421.db2.gz LMTXVLZDFQMHTB-OAHLLOKOSA-N 2 0 291.439 1.559 10 0 CDAERP C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1c1ccccc1 ZINC000901235274 624025423 /nfs/dbraw/zinc/02/54/23/624025423.db2.gz UQCSPQBBHBFINR-CVEARBPZSA-N 2 0 299.418 1.644 10 0 CDAERP C1[C@H]2CCC[C@@H]2[C@@H]1[NH2+][C@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000902456841 624842692 /nfs/dbraw/zinc/84/26/92/624842692.db2.gz PZZHITZOMCJXGL-QOTRURMSSA-N 2 0 264.413 1.922 10 0 CDAERP C1CC1[C@@H]1COC[C@H]1[NH2+][C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000902517556 624917549 /nfs/dbraw/zinc/91/75/49/624917549.db2.gz JJXBCKLSHDDVJT-UVPYHEFZSA-N 2 0 264.413 1.922 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC(C(=O)N3CCCC3)CC2)C1 ZINC000903430569 625989953 /nfs/dbraw/zinc/98/99/53/625989953.db2.gz WRTMAVUZOQQFLZ-DZGCQCFKSA-N 2 0 279.428 1.448 10 0 CDAERP CCO[C@H]1C[C@@H]([N@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)C1(C)C ZINC000903439925 625992730 /nfs/dbraw/zinc/99/27/30/625992730.db2.gz QGNNRSQRQLZQAW-RQJABVFESA-N 2 0 254.418 1.977 10 0 CDAERP Cc1nsc(N2CC[NH+](C[C@@H]3CC[C@H]([NH3+])C3)CC2)n1 ZINC000903443790 625998056 /nfs/dbraw/zinc/99/80/56/625998056.db2.gz HUZGQQKGUDTOHG-NEPJUHHUSA-N 2 0 281.429 1.096 10 0 CDAERP CCOC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903454418 626001393 /nfs/dbraw/zinc/00/13/93/626001393.db2.gz BQIAIYUBCDVHCP-AGIUHOORSA-N 2 0 254.374 1.531 10 0 CDAERP COC(=O)[C@@H]1CC12CC[NH+](C[C@@H]1C[NH2+]C[C@H]1C)CC2 ZINC000903455169 626002088 /nfs/dbraw/zinc/00/20/88/626002088.db2.gz SDFYTNHKFRJFKU-AGIUHOORSA-N 2 0 266.385 1.117 10 0 CDAERP CS(=O)(=O)CCCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903482198 626006375 /nfs/dbraw/zinc/00/63/75/626006375.db2.gz ZEFZAVNBIULSAI-GFCCVEGCSA-N 2 0 274.430 1.076 10 0 CDAERP FC1(F)C[C@]2(CC[N@H+](CCN3CC[NH2+]CC3)C2)C1(F)F ZINC000903490976 626010562 /nfs/dbraw/zinc/01/05/62/626010562.db2.gz PIDWORBJKMRFIS-NSHDSACASA-N 2 0 295.324 1.258 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@H](C)c1ncc(C)o1)C2 ZINC000903492872 626011052 /nfs/dbraw/zinc/01/10/52/626011052.db2.gz JZTXHNVDFOGOQI-ZAZJYDDPSA-N 2 0 293.367 1.256 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@@H](C)c1cccnc1)C2 ZINC000903492460 626011071 /nfs/dbraw/zinc/01/10/71/626011071.db2.gz FBOBUYOBJWOYFH-ZIEJDFEHSA-N 2 0 289.379 1.355 10 0 CDAERP C[C@]1([C@H]2CCC[N@H+](CC[C@H]3CC[NH2+]C3)C2)COC(=O)N1 ZINC000903561266 626019244 /nfs/dbraw/zinc/01/92/44/626019244.db2.gz HUYPHEKPBTVUSP-VNHYZAJKSA-N 2 0 281.400 1.197 10 0 CDAERP C[C@]1([C@@H]2CCC[N@H+](CCCCCC[NH3+])C2)COC(=O)N1 ZINC000903561756 626019915 /nfs/dbraw/zinc/01/99/15/626019915.db2.gz MFWUXDJPLGDVHX-UKRRQHHQSA-N 2 0 283.416 1.716 10 0 CDAERP Cn1c2ccccc2nc1CCN1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903558801 626025642 /nfs/dbraw/zinc/02/56/42/626025642.db2.gz PSBVUXFNBHZYJX-CQSZACIVSA-N 2 0 272.396 1.785 10 0 CDAERP C([C@@H]1CCCC[NH2+]C1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000903751823 626073244 /nfs/dbraw/zinc/07/32/44/626073244.db2.gz MUSPFJZDMRROJT-CABCVRRESA-N 2 0 251.418 1.452 10 0 CDAERP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000903784063 626092902 /nfs/dbraw/zinc/09/29/02/626092902.db2.gz KJMROTCRMOGYMW-RFQIPJPRSA-N 2 0 268.426 1.050 10 0 CDAERP CC(C)C[N@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903880375 626130622 /nfs/dbraw/zinc/13/06/22/626130622.db2.gz QYLUFAIRBFMORL-GFCCVEGCSA-N 2 0 251.378 1.290 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)cnn1C ZINC000903897711 626137026 /nfs/dbraw/zinc/13/70/26/626137026.db2.gz IUFIEUPVLXFFTH-YUELXQCFSA-N 2 0 276.428 1.434 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@H+]2CC[C@@H](C)[C@@H]2C)cnn1C ZINC000903899773 626137807 /nfs/dbraw/zinc/13/78/07/626137807.db2.gz USPQLLUMKOPCHF-MBNYWOFBSA-N 2 0 264.417 1.576 10 0 CDAERP COCCO[C@@H]1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903904142 626140354 /nfs/dbraw/zinc/14/03/54/626140354.db2.gz PPQRXTMFWZGACI-WTXIUTQJSA-N 2 0 282.428 1.644 10 0 CDAERP O=C(C1CC1)N1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903906664 626140983 /nfs/dbraw/zinc/14/09/83/626140983.db2.gz XQJFQFFQYZTMAI-VHRNVKJDSA-N 2 0 291.439 1.461 10 0 CDAERP Cc1c(C[C@H](C[NH3+])CN2CCCC[C@H]2CC[NH3+])cnn1C ZINC000903915332 626144741 /nfs/dbraw/zinc/14/47/41/626144741.db2.gz AVTDPYDPMKQFJE-ZBFHGGJFSA-N 2 0 293.459 1.049 10 0 CDAERP CCC(CC)[C@H](O)C[NH2+]C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903922656 626147808 /nfs/dbraw/zinc/14/78/08/626147808.db2.gz BJIFZSIIKPKSOU-XJKSGUPXSA-N 2 0 296.459 1.233 10 0 CDAERP CC[C@H]([NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1)[C@H]1CCCO1 ZINC000903923255 626148027 /nfs/dbraw/zinc/14/80/27/626148027.db2.gz OXVDMUNEQBJXOV-VHDGCEQUSA-N 2 0 293.415 1.250 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[NH2+]Cc2cccc(F)c2)cnn1C ZINC000903923055 626148087 /nfs/dbraw/zinc/14/80/87/626148087.db2.gz KIUNLCUMKWYXIZ-AWEZNQCLSA-N 2 0 290.386 1.775 10 0 CDAERP CC[C@H]([NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1)[C@@H]1CCCO1 ZINC000903923254 626148223 /nfs/dbraw/zinc/14/82/23/626148223.db2.gz OXVDMUNEQBJXOV-SNPRPXQTSA-N 2 0 293.415 1.250 10 0 CDAERP FC1CCC(C[NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000903931556 626151744 /nfs/dbraw/zinc/15/17/44/626151744.db2.gz FCMOHJDYICVMDY-JXQTWKCFSA-N 2 0 295.406 1.821 10 0 CDAERP C[NH+](C)CCC[C@H]1CN(C[C@@H]([NH3+])CC(F)F)CCO1 ZINC000903933196 626152890 /nfs/dbraw/zinc/15/28/90/626152890.db2.gz LTEMAGBTZIZSMV-RYUDHWBXSA-N 2 0 279.375 1.012 10 0 CDAERP [NH3+][C@@H](CC(F)F)CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000903934227 626153280 /nfs/dbraw/zinc/15/32/80/626153280.db2.gz DZBGBMIOLWCBSE-QWHCGFSZSA-N 2 0 291.386 1.059 10 0 CDAERP C[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC[NH2+]CC1 ZINC000903937670 626155440 /nfs/dbraw/zinc/15/54/40/626155440.db2.gz PIGXUYNPXXCEEH-YPRXJGMQSA-N 3 0 251.418 1.495 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CCN(C[C@H]([NH3+])CC(F)F)C1 ZINC000903938061 626155952 /nfs/dbraw/zinc/15/59/52/626155952.db2.gz YSOAGNCWTXAVMV-ZWNOBZJWSA-N 2 0 263.376 1.666 10 0 CDAERP CCc1nn(C)c(CC)c1C[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903974759 626169076 /nfs/dbraw/zinc/16/90/76/626169076.db2.gz ROLHBDWGURZTFJ-CHWSQXEVSA-N 2 0 278.444 1.880 10 0 CDAERP C[C@@H]1C[N@H+](Cc2cnc3ccccn23)C[C@H]1CC[NH3+] ZINC000903977277 626169917 /nfs/dbraw/zinc/16/99/17/626169917.db2.gz NURGMSXASDLAOO-CHWSQXEVSA-N 2 0 258.369 1.751 10 0 CDAERP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N(C)C)[nH]2)C[C@H]1CC[NH3+] ZINC000903976830 626169962 /nfs/dbraw/zinc/16/99/62/626169962.db2.gz CLFPQAVMTQGPSB-VXGBXAGGSA-N 2 0 278.400 1.133 10 0 CDAERP C[C@@H]1CCC[N@H+](CCNC(=[NH2+])NC[C@@H]2CCCS2)C1 ZINC000905041603 626381048 /nfs/dbraw/zinc/38/10/48/626381048.db2.gz LEXWEBXXRKZLIX-OLZOCXBDSA-N 2 0 284.473 1.728 10 0 CDAERP CC(C)[N@H+](C)CCCNC(=[NH2+])NC[C@@H]1CCCS1 ZINC000905042281 626381821 /nfs/dbraw/zinc/38/18/21/626381821.db2.gz PONDLIAYSUCGDV-LBPRGKRZSA-N 2 0 272.462 1.726 10 0 CDAERP CN(C(=O)C(C)(C)[NH+]1CCCCC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000906655589 627358320 /nfs/dbraw/zinc/35/83/20/627358320.db2.gz PUWZPERGSXSWBS-HNNXBMFYSA-N 2 0 293.455 1.946 10 0 CDAERP C[N@@H+]1C[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)[C@@H]2C1 ZINC000908345671 628146312 /nfs/dbraw/zinc/14/63/12/628146312.db2.gz FEOQMWUUNBWAQE-UONOGXRCSA-N 2 0 279.428 1.413 10 0 CDAERP C[N@@H+]1C[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)[C@H]2C1 ZINC000908345670 628146504 /nfs/dbraw/zinc/14/65/04/628146504.db2.gz FEOQMWUUNBWAQE-KGLIPLIRSA-N 2 0 279.428 1.413 10 0 CDAERP CC[N@@H+]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)[C@@H](C)C1 ZINC000910264197 628935685 /nfs/dbraw/zinc/93/56/85/628935685.db2.gz BYEJYDRTJYOYNX-UONOGXRCSA-N 2 0 267.417 1.271 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCOC1CCCC1 ZINC000924840679 629337333 /nfs/dbraw/zinc/33/73/33/629337333.db2.gz FHKGPGOUAQTRRN-NNQSOWQGSA-N 2 0 252.402 1.875 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@]2(C)C[NH+]3CCC2CC3)C1 ZINC000912374824 629971797 /nfs/dbraw/zinc/97/17/97/629971797.db2.gz DDBNULLRAHIJOI-YOEHRIQHSA-N 2 0 293.455 1.709 10 0 CDAERP C[NH+]1CCC(CC(=O)N[C@]2(C)C[NH+]3CCC2CC3)CC1 ZINC000912375328 629972968 /nfs/dbraw/zinc/97/29/68/629972968.db2.gz FIPPZGAEJAAQEV-MRXNPFEDSA-N 2 0 279.428 1.319 10 0 CDAERP CC(C)(C(=O)N1CC[C@@H]([NH+]2CCC2)C1)[NH+]1CCCCC1 ZINC000912899169 630267678 /nfs/dbraw/zinc/26/76/78/630267678.db2.gz XYGMFMDIZRNUIF-CQSZACIVSA-N 2 0 279.428 1.558 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912920333 630289926 /nfs/dbraw/zinc/28/99/26/630289926.db2.gz TWGQJSNZSXKLMJ-UONOGXRCSA-N 2 0 265.401 1.167 10 0 CDAERP C[NH+](C)CCCCC(=O)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000913287779 630436295 /nfs/dbraw/zinc/43/62/95/630436295.db2.gz ISSCNDZIWJPZFX-IYBDPMFKSA-N 2 0 281.444 1.519 10 0 CDAERP OC1(C[NH+]2CCN(c3cc[nH+]cc3)CC2)CCCCC1 ZINC000157593179 630603933 /nfs/dbraw/zinc/60/39/33/630603933.db2.gz SKFBTHAYNFEHOG-UHFFFAOYSA-N 2 0 275.396 1.899 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CC[NH+]2C)[C@@H](C)C1 ZINC000925407893 631400613 /nfs/dbraw/zinc/40/06/13/631400613.db2.gz HHGPRQYPOPYAHW-IHRRRGAJSA-N 2 0 282.432 1.062 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CC[NH+]2C)[C@H](C)C1 ZINC000925407900 631400662 /nfs/dbraw/zinc/40/06/62/631400662.db2.gz HHGPRQYPOPYAHW-RDBSUJKOSA-N 2 0 282.432 1.062 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[NH+](C)[C@@H]1C ZINC000917899717 632294761 /nfs/dbraw/zinc/29/47/61/632294761.db2.gz XYXMFLTWHJPEET-MGPQQGTHSA-N 2 0 282.432 1.253 10 0 CDAERP C[NH+]1CCC(C[NH2+]Cc2cccc3[nH]c(=O)oc32)CC1 ZINC000921688746 633181311 /nfs/dbraw/zinc/18/13/11/633181311.db2.gz DRNSWJLGYCVEAN-UHFFFAOYSA-N 2 0 275.352 1.965 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CCC[NH2+]CC2CCC2)C1 ZINC001699534219 1158449162 /nfs/dbraw/zinc/44/91/62/1158449162.db2.gz VDAJGNBUXRATIQ-CQSZACIVSA-N 2 0 281.444 1.566 10 0 CDAERP CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCCC[NH+](C)C ZINC001691068249 1158881610 /nfs/dbraw/zinc/88/16/10/1158881610.db2.gz KJNDPPWOWKMQLA-CYBMUJFWSA-N 2 0 255.406 1.271 10 0 CDAERP CCOCC[N@H+](C)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001692021431 1158953294 /nfs/dbraw/zinc/95/32/94/1158953294.db2.gz ZKZOGTZUEOHDIA-UHFFFAOYSA-N 2 0 299.459 1.145 10 0 CDAERP CN(C[C@@H]1CC[N@@H+]1CCCCCF)C(=O)[C@H]1CC[NH+](C)C1 ZINC001691413584 1159059352 /nfs/dbraw/zinc/05/93/52/1159059352.db2.gz RXRINMQZLQJZCP-GJZGRUSLSA-N 2 0 299.434 1.611 10 0 CDAERP CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@@H]1CC ZINC001670594598 1158655107 /nfs/dbraw/zinc/65/51/07/1158655107.db2.gz CMXDFMOTUDWXCK-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000250654843 1159279842 /nfs/dbraw/zinc/27/98/42/1159279842.db2.gz XOMLIWMKRKZUKF-FRRDWIJNSA-N 2 0 253.390 1.104 10 0 CDAERP CC(C)[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001482482851 1160322320 /nfs/dbraw/zinc/32/23/20/1160322320.db2.gz NHIZHABBUZODMQ-LSDHHAIUSA-N 2 0 283.460 1.952 10 0 CDAERP CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CC2)C1 ZINC001649115051 1161388695 /nfs/dbraw/zinc/38/86/95/1161388695.db2.gz MHTCICFVCSDZHQ-KGLIPLIRSA-N 2 0 265.401 1.166 10 0 CDAERP C/C=C/C=C\C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870024377 1165133234 /nfs/dbraw/zinc/13/32/34/1165133234.db2.gz AGQJFBBHYNAKIH-LORTYDCVSA-N 2 0 279.428 1.317 10 0 CDAERP CO[C@@H](CC(C)C)C[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001620628198 1165662203 /nfs/dbraw/zinc/66/22/03/1165662203.db2.gz GPHJDHBXIRLTSI-ILXRZTDVSA-N 2 0 254.418 1.931 10 0 CDAERP C[NH+]1CCC(OCC(=O)OC[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC001649231550 1166200974 /nfs/dbraw/zinc/20/09/74/1166200974.db2.gz GODCVEJYETVBPU-ZDUSSCGKSA-N 2 0 298.427 1.513 10 0 CDAERP C[NH+](C)CCCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001635723201 1166614566 /nfs/dbraw/zinc/61/45/66/1166614566.db2.gz HSQZCLAWIRFLQC-AGUYFDCRSA-N 2 0 267.417 1.460 10 0 CDAERP CC(C)[C@H]1CN(C(=O)[C@@H](C)CC[NH+](C)C)CC[N@@H+]1C ZINC001642922814 1167211234 /nfs/dbraw/zinc/21/12/34/1167211234.db2.gz OPQWCGLNZIUIGC-UONOGXRCSA-N 2 0 269.433 1.373 10 0 CDAERP C[C@@H]1CC[C@@H]([NH2+]CC2([NH3+])CCOCC2)[C@H](n2cncn2)C1 ZINC001646049191 1167623166 /nfs/dbraw/zinc/62/31/66/1167623166.db2.gz WZRKMEDMDLMPDE-MGPQQGTHSA-N 2 0 293.415 1.105 10 0 CDAERP CC(C)=CC[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001567448470 1168056698 /nfs/dbraw/zinc/05/66/98/1168056698.db2.gz CGYFFOCHWYOQBE-UHFFFAOYSA-N 2 0 293.455 1.875 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](C)CC[NH+](C)C ZINC001565563266 1168155146 /nfs/dbraw/zinc/15/51/46/1168155146.db2.gz ZFKDGBLVSNCKGR-QWHCGFSZSA-N 2 0 257.422 1.421 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1CC[N@H+](CC2CCC2)C1)[NH+](C)C ZINC001566666377 1168378359 /nfs/dbraw/zinc/37/83/59/1168378359.db2.gz DHHIKSWXLMCGBU-ZIAGYGMSSA-N 2 0 267.417 1.317 10 0 CDAERP CCOCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001566813402 1168431553 /nfs/dbraw/zinc/43/15/53/1168431553.db2.gz AUTGTJQXPOLKKI-RBSFLKMASA-N 2 0 297.443 1.134 10 0 CDAERP CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]CCCF)[NH+](C)C ZINC001567073015 1168547577 /nfs/dbraw/zinc/54/75/77/1168547577.db2.gz QVLIHXFQLRDBOM-NWDGAFQWSA-N 2 0 261.385 1.027 10 0 CDAERP CN(CC[NH2+]CC1CCC1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001567516170 1168824253 /nfs/dbraw/zinc/82/42/53/1168824253.db2.gz KMPNDGHBUBOASI-HOTGVXAUSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@H](C[NH2+]CC[C@H]1CCCO1)N(C)C(=O)C[NH+]1CCCC1 ZINC001568318789 1169243876 /nfs/dbraw/zinc/24/38/76/1169243876.db2.gz GAAKBGSVEXWXPJ-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC/C=C\C[NH2+]C/C=C/Cl)C1 ZINC001568919649 1169548353 /nfs/dbraw/zinc/54/83/53/1169548353.db2.gz FWHGHUXVHFGNRU-VWFIYQCCSA-N 2 0 285.819 1.343 10 0 CDAERP CC[NH+]1CCC(C)(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001569707103 1169970899 /nfs/dbraw/zinc/97/08/99/1169970899.db2.gz LPHULCFNHRSISM-UHFFFAOYSA-N 2 0 267.417 1.320 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]CCC2CC2)C1 ZINC001569854733 1170018593 /nfs/dbraw/zinc/01/85/93/1170018593.db2.gz FMTUZGITMUVTOR-HOCLYGCPSA-N 2 0 295.471 1.811 10 0 CDAERP CC(C)=CC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001570363567 1170143611 /nfs/dbraw/zinc/14/36/11/1170143611.db2.gz DCMDQYZYKMEXGI-LSDHHAIUSA-N 2 0 279.428 1.485 10 0 CDAERP CCOCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001570397976 1170152268 /nfs/dbraw/zinc/15/22/68/1170152268.db2.gz SGXZEUGFXXFNHY-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP C[N@@H+]1CCN(C(=O)c2ccccc2CC[NH3+])CC1(C)C ZINC000070553117 1171670561 /nfs/dbraw/zinc/67/05/61/1171670561.db2.gz IKDYEEYPNLPPJF-UHFFFAOYSA-N 2 0 275.396 1.354 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001656160383 1171779465 /nfs/dbraw/zinc/77/94/65/1171779465.db2.gz FGWUVMCOSPZUNR-HRCADAONSA-N 2 0 293.455 1.779 10 0 CDAERP CC(C)CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001656176567 1171783313 /nfs/dbraw/zinc/78/33/13/1171783313.db2.gz YWGIBRLEXKLSNK-HRCADAONSA-N 2 0 295.471 1.859 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C[NH2+]CCC1CC1 ZINC001666546238 1173149030 /nfs/dbraw/zinc/14/90/30/1173149030.db2.gz IHVBXEKMYSPWJW-CZUORRHYSA-N 2 0 293.455 1.470 10 0 CDAERP C[C@@H](C[NH2+]CCCF)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001666928243 1173209563 /nfs/dbraw/zinc/20/95/63/1173209563.db2.gz ZJZKMWWYTUWADJ-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP CCN(CC[NH2+]C/C=C/Cl)C(=O)CC[NH+](C)C ZINC001668542570 1173425915 /nfs/dbraw/zinc/42/59/15/1173425915.db2.gz RHZHEMNNXKGKOF-FNORWQNLSA-N 2 0 261.797 1.129 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)[NH+](C)C ZINC001598331223 1174312730 /nfs/dbraw/zinc/31/27/30/1174312730.db2.gz ICTAVTPGJHJESU-AGIUHOORSA-N 2 0 255.406 1.173 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCCC3CCC3)C2)C1 ZINC001690366924 1175451702 /nfs/dbraw/zinc/45/17/02/1175451702.db2.gz VAGXEVNXXJWMTG-HRCADAONSA-N 2 0 293.455 1.755 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001690433770 1175469790 /nfs/dbraw/zinc/46/97/90/1175469790.db2.gz ISVZPVQEWDFLOA-HZPDHXFCSA-N 2 0 295.471 1.812 10 0 CDAERP CCOCC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001690487599 1175480743 /nfs/dbraw/zinc/48/07/43/1175480743.db2.gz YXIOBEGSBDATSP-HNNXBMFYSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001690734448 1175555346 /nfs/dbraw/zinc/55/53/46/1175555346.db2.gz DXVJVYXMPHOMQG-STQMWFEESA-N 2 0 273.396 1.124 10 0 CDAERP CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001692084070 1175675611 /nfs/dbraw/zinc/67/56/11/1175675611.db2.gz SVELBJFZQNQMHT-CABCVRRESA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)C[NH2+]CCF)C1 ZINC001698760538 1175921332 /nfs/dbraw/zinc/92/13/32/1175921332.db2.gz LCMXXFFMTQWLHN-KGLIPLIRSA-N 2 0 287.423 1.420 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]C(C)C ZINC001698823390 1175950808 /nfs/dbraw/zinc/95/08/08/1175950808.db2.gz GBAOXKFPRKVUKR-KBPBESRZSA-N 2 0 269.433 1.706 10 0 CDAERP C[C@H](C[NH2+]CC[C@H]1CCCCO1)N(C)C(=O)CC[NH+](C)C ZINC001698845417 1175960540 /nfs/dbraw/zinc/96/05/40/1175960540.db2.gz XXOHJYDLNWJNCR-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@@H](CC[NH2+]Cc1cncs1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001699087489 1176082147 /nfs/dbraw/zinc/08/21/47/1176082147.db2.gz IHSKPPHWZKSONR-AAEUAGOBSA-N 2 0 296.440 1.222 10 0 CDAERP CCCC[NH2+]CC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001699145947 1176111899 /nfs/dbraw/zinc/11/18/99/1176111899.db2.gz GBMXJCUOOMOTBU-UONOGXRCSA-N 2 0 269.433 1.613 10 0 CDAERP CCN(CC[NH2+]CCCF)C(=O)Cc1[nH]cnc1C ZINC001699215456 1176144363 /nfs/dbraw/zinc/14/43/63/1176144363.db2.gz SXSHTGWSWWJJTO-UHFFFAOYSA-N 2 0 270.352 1.058 10 0 CDAERP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001699440852 1176404890 /nfs/dbraw/zinc/40/48/90/1176404890.db2.gz GWZZDKVHGGLVDZ-OCCSQVGLSA-N 2 0 267.417 1.173 10 0 CDAERP CCC[NH2+]CC[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001700082920 1176741048 /nfs/dbraw/zinc/74/10/48/1176741048.db2.gz XPTULUJGRJLGKD-CQSZACIVSA-N 2 0 281.444 1.566 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](CC[NH2+]CCF)C2)C1 ZINC001700079696 1176741796 /nfs/dbraw/zinc/74/17/96/1176741796.db2.gz QNHTUKYMIBNNSJ-KGLIPLIRSA-N 2 0 285.407 1.126 10 0 CDAERP CCCC[C@@H](C[NH2+]CCC)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001700523092 1176994807 /nfs/dbraw/zinc/99/48/07/1176994807.db2.gz XTQGBUHGGYLMNR-KBPBESRZSA-N 2 0 269.433 1.613 10 0 CDAERP CC/C=C/CC[NH+]1CC([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001700542672 1177007805 /nfs/dbraw/zinc/00/78/05/1177007805.db2.gz IZPZFOHVZMTFGD-UZYOAWRESA-N 2 0 281.444 1.731 10 0 CDAERP CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001700639377 1177049169 /nfs/dbraw/zinc/04/91/69/1177049169.db2.gz PRXRKNHXAKCVRO-IHRRRGAJSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001700640264 1177049913 /nfs/dbraw/zinc/04/99/13/1177049913.db2.gz YUTWNRQFIZFBCW-JYJNAYRXSA-N 2 0 293.455 1.921 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCC[NH2+]C(C)C)CC[N@@H+]1C ZINC001700662754 1177064413 /nfs/dbraw/zinc/06/44/13/1177064413.db2.gz WTYUEKYPPVFCMZ-SOUVJXGZSA-N 2 0 283.460 2.000 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001700767294 1177122225 /nfs/dbraw/zinc/12/22/25/1177122225.db2.gz KUIYXKJQBBVUDV-VXGBXAGGSA-N 2 0 261.385 1.123 10 0 CDAERP CC(C)=CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001700823664 1177150539 /nfs/dbraw/zinc/15/05/39/1177150539.db2.gz YZEQCELXQLUVGR-CABCVRRESA-N 2 0 293.455 1.873 10 0 CDAERP C[C@@H]1[C@H](C(=O)NCCC[NH+](C)CC2CCCC2)CC[N@@H+]1C ZINC001707375559 1178003826 /nfs/dbraw/zinc/00/38/26/1178003826.db2.gz NWVQCFNTZDNAIJ-GDBMZVCRSA-N 2 0 295.471 1.955 10 0 CDAERP C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)CC1=CCCCC1 ZINC001712988286 1178287485 /nfs/dbraw/zinc/28/74/85/1178287485.db2.gz FLJUQEOQCBSLSK-MRXNPFEDSA-N 2 0 293.455 1.877 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001713238460 1178439396 /nfs/dbraw/zinc/43/93/96/1178439396.db2.gz IJQFRVIXHLVBFB-CQSZACIVSA-N 2 0 269.433 1.422 10 0 CDAERP CCCC[NH2+][C@@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001713316806 1178493237 /nfs/dbraw/zinc/49/32/37/1178493237.db2.gz ZSCOBTMZFZIAHW-KBPBESRZSA-N 2 0 269.433 1.755 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCCC(C)(C)C ZINC001713339354 1178508807 /nfs/dbraw/zinc/50/88/07/1178508807.db2.gz HGAKZJQRYLZMGT-ZIAGYGMSSA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)[NH2+][C@H](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001713420336 1178551238 /nfs/dbraw/zinc/55/12/38/1178551238.db2.gz RSWGQAZXDAFFMV-CHWSQXEVSA-N 2 0 255.406 1.221 10 0 CDAERP CCC[N@H+](C)CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001713456729 1178575581 /nfs/dbraw/zinc/57/55/81/1178575581.db2.gz YWMQFAVRGIGOID-CYBMUJFWSA-N 2 0 255.406 1.319 10 0 CDAERP CCCCC[NH2+]CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001713592566 1178673839 /nfs/dbraw/zinc/67/38/39/1178673839.db2.gz ZDAZWTDOEQLBNL-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)CC[NH2+]C/C=C/Cl ZINC001713656628 1178699163 /nfs/dbraw/zinc/69/91/63/1178699163.db2.gz BAOAFLSPGZKQDC-AATRIKPKSA-N 2 0 261.797 1.129 10 0 CDAERP CC/C=C/CC[NH+]1CC(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001713923100 1178849253 /nfs/dbraw/zinc/84/92/53/1178849253.db2.gz WSQRZKNBWGOYEH-MVGZEHJDSA-N 2 0 281.444 1.731 10 0 CDAERP CC/C=C/CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001713961699 1178893171 /nfs/dbraw/zinc/89/31/71/1178893171.db2.gz RJGVCGZXPIQIHN-LFAOLKIESA-N 2 0 281.444 1.875 10 0 CDAERP O=C(N1CCC[C@@H](C[NH2+]CCF)C1)C12CCC[NH+]1CCC2 ZINC001714073185 1178960221 /nfs/dbraw/zinc/96/02/21/1178960221.db2.gz RSLLDNMIPIETGB-AWEZNQCLSA-N 2 0 297.418 1.413 10 0 CDAERP CN(CCNCc1nccs1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001714721917 1179357380 /nfs/dbraw/zinc/35/73/80/1179357380.db2.gz DJFMSEMBAIEPKE-GFCCVEGCSA-N 2 0 296.440 1.175 10 0 CDAERP CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001714880485 1179434949 /nfs/dbraw/zinc/43/49/49/1179434949.db2.gz LVDNYCXZCWSTAO-QWHCGFSZSA-N 2 0 255.406 1.317 10 0 CDAERP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCCCCF)C1 ZINC001715033457 1179518076 /nfs/dbraw/zinc/51/80/76/1179518076.db2.gz WOTDCGLZKPJWNA-LSDHHAIUSA-N 2 0 299.434 1.611 10 0 CDAERP C[C@](C[NH2+]C/C=C/Cl)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001715121740 1179558765 /nfs/dbraw/zinc/55/87/65/1179558765.db2.gz BWCKFMWVEKZGIL-NFBGWVBBSA-N 2 0 299.846 1.709 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001715367706 1179645031 /nfs/dbraw/zinc/64/50/31/1179645031.db2.gz XOFWIYBWPPDAHS-GJZGRUSLSA-N 2 0 281.444 1.731 10 0 CDAERP CCCC[NH2+][C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001715496298 1179683037 /nfs/dbraw/zinc/68/30/37/1179683037.db2.gz RSRUJJYHVQPQTP-JKSUJKDBSA-N 2 0 295.471 1.859 10 0 CDAERP C[C@H](CC[NH2+]Cc1nccs1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001715673404 1179758926 /nfs/dbraw/zinc/75/89/26/1179758926.db2.gz SKCKXXQGTNSIFB-VXGBXAGGSA-N 2 0 296.440 1.222 10 0 CDAERP CCN(CC[NH2+]CCF)C(=O)C12CCC[NH+](CCC1)C2 ZINC001715739289 1179786722 /nfs/dbraw/zinc/78/67/22/1179786722.db2.gz CUVHUCNAMQWFQB-UHFFFAOYSA-N 2 0 285.407 1.270 10 0 CDAERP Cc1ccc(C[NH2+]C/C=C/CNC(=O)CC[NH+](C)C)cc1 ZINC001715869052 1179886907 /nfs/dbraw/zinc/88/69/07/1179886907.db2.gz YXNFHWJQUOXXIL-SNAWJCMRSA-N 2 0 289.423 1.709 10 0 CDAERP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]CCF)[NH+]1CCCC1 ZINC001716009281 1179982368 /nfs/dbraw/zinc/98/23/68/1179982368.db2.gz OKNOSUUSRIAYKP-QWHCGFSZSA-N 2 0 273.396 1.171 10 0 CDAERP CC[C@@H](C)C[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001716210194 1180103318 /nfs/dbraw/zinc/10/33/18/1180103318.db2.gz KADFSQQVJLBFMG-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC/C=C/C[NH2+]CC2CCC2)C1 ZINC001716368345 1180170172 /nfs/dbraw/zinc/17/01/72/1180170172.db2.gz QAFNSHPGIKFKDI-XYBNCVKDSA-N 2 0 279.428 1.390 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+]CC2CC(C)(C)C2)C1 ZINC001716376324 1180173642 /nfs/dbraw/zinc/17/36/42/1180173642.db2.gz WQTLGZKSOWQMKB-RGDDUWESSA-N 2 0 293.455 1.636 10 0 CDAERP CCC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1CCC)C1CC1 ZINC001716612348 1180306068 /nfs/dbraw/zinc/30/60/68/1180306068.db2.gz DKOMQOJISDUICH-LSDHHAIUSA-N 2 0 281.444 1.755 10 0 CDAERP CCCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1CC ZINC001716637841 1180317544 /nfs/dbraw/zinc/31/75/44/1180317544.db2.gz TZSSVLVPFFUPDO-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CCC[C@H]1C[NH2+]CCF ZINC001716777900 1180411173 /nfs/dbraw/zinc/41/11/73/1180411173.db2.gz ABWXZSLLAAWUQI-QWHCGFSZSA-N 2 0 291.386 1.216 10 0 CDAERP CC(C)=CC[N@@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001717477003 1180696031 /nfs/dbraw/zinc/69/60/31/1180696031.db2.gz VVEFZJFHYQXVLJ-CABCVRRESA-N 2 0 283.460 1.975 10 0 CDAERP COCCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001717737983 1180819513 /nfs/dbraw/zinc/81/95/13/1180819513.db2.gz KLEGFNUSTUUUNT-ILXRZTDVSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)COCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001717753945 1180830952 /nfs/dbraw/zinc/83/09/52/1180830952.db2.gz ITWPHHFTUOLJBE-CABCVRRESA-N 2 0 299.459 1.047 10 0 CDAERP CCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001717822179 1180879112 /nfs/dbraw/zinc/87/91/12/1180879112.db2.gz ONPWZRYJJWWQPP-UONOGXRCSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@@H](F)C[NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001723194497 1181524701 /nfs/dbraw/zinc/52/47/01/1181524701.db2.gz NIEMRCSLUNLDCT-QWHCGFSZSA-N 2 0 273.396 1.124 10 0 CDAERP CCCC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001723484441 1181576380 /nfs/dbraw/zinc/57/63/80/1181576380.db2.gz ODOYJDJCSXWYTN-CYBMUJFWSA-N 2 0 255.406 1.317 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]CCCF)CCN1C(=O)CC[NH+](C)C ZINC001723858459 1181613249 /nfs/dbraw/zinc/61/32/49/1181613249.db2.gz GLUKOPNQOLDERM-STQMWFEESA-N 2 0 273.396 1.267 10 0 CDAERP CC(C)[N@@H+]1CC[C@](C)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001724182608 1181649766 /nfs/dbraw/zinc/64/97/66/1181649766.db2.gz CPFLSJYOXXIOLO-ZFWWWQNUSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CC1CC1 ZINC001724994911 1181819198 /nfs/dbraw/zinc/81/91/98/1181819198.db2.gz IOCFSJGVIWHKSV-TZMCWYRMSA-N 2 0 267.417 1.317 10 0 CDAERP C[NH+](C)CCCCC(=O)N1C[C@H]([NH2+]CC2CC2)C(C)(C)C1 ZINC001725677283 1182094225 /nfs/dbraw/zinc/09/42/25/1182094225.db2.gz NWQOXGDSKPFNBP-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP CCCCC[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001731240586 1182270819 /nfs/dbraw/zinc/27/08/19/1182270819.db2.gz BXGPEDGLLOBAGP-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H](O)CCC[NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001731939649 1182687445 /nfs/dbraw/zinc/68/74/45/1182687445.db2.gz GRYFBPYHCREBGY-CQSZACIVSA-N 2 0 299.459 1.070 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)CC[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001731972843 1182709030 /nfs/dbraw/zinc/70/90/30/1182709030.db2.gz ZIUQRSRALRYOBF-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC([C@H](C)[NH2+]CCOC)CC1 ZINC001732002807 1182719490 /nfs/dbraw/zinc/71/94/90/1182719490.db2.gz POZDUOUNULUZRU-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)OCC[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001732437775 1182965071 /nfs/dbraw/zinc/96/50/71/1182965071.db2.gz OBPVPXZFHRTLAW-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP CCC[NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001732448883 1182971076 /nfs/dbraw/zinc/97/10/76/1182971076.db2.gz PZTMSFPWYXCYMS-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001732705018 1183092910 /nfs/dbraw/zinc/09/29/10/1183092910.db2.gz AFWAKPVFLWBWOT-CHWSQXEVSA-N 2 0 255.406 1.364 10 0 CDAERP CC[NH2+]C/C=C/CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001732901939 1183178120 /nfs/dbraw/zinc/17/81/20/1183178120.db2.gz YDCQOEPNNOTZIP-AATRIKPKSA-N 2 0 289.423 1.686 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC/C=C/C[NH2+]C[C@H]1CCCOC1 ZINC001732941964 1183192615 /nfs/dbraw/zinc/19/26/15/1183192615.db2.gz IHTFTTWSYVBJQT-MBVDDHJVSA-N 2 0 297.443 1.015 10 0 CDAERP CCCCC[N@@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001733222079 1183349403 /nfs/dbraw/zinc/34/94/03/1183349403.db2.gz JSBSVZWQHSSAGZ-ZDUSSCGKSA-N 2 0 255.406 1.319 10 0 CDAERP C[N@H+](CC(=O)N1CC[C@](C)(C[NH2+]CCF)C1)C1CCC1 ZINC001733426481 1183430071 /nfs/dbraw/zinc/43/00/71/1183430071.db2.gz GCGVMQDPDNPJPD-OAHLLOKOSA-N 2 0 285.407 1.268 10 0 CDAERP CCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001733528614 1183457505 /nfs/dbraw/zinc/45/75/05/1183457505.db2.gz NSMWYLLKXHFKDN-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001733763619 1183523468 /nfs/dbraw/zinc/52/34/68/1183523468.db2.gz YBPDMAGKCAUWQZ-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]CC1CCC1 ZINC001734000760 1183608995 /nfs/dbraw/zinc/60/89/95/1183608995.db2.gz GBXMBRYNAUMDCV-STQMWFEESA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)[NH2+]CCC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001734258305 1183706752 /nfs/dbraw/zinc/70/67/52/1183706752.db2.gz CIXMWDWPLKQZNC-KBPBESRZSA-N 2 0 269.433 1.611 10 0 CDAERP CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)(C)C ZINC001734560486 1183826785 /nfs/dbraw/zinc/82/67/85/1183826785.db2.gz JDFHWVUNLRRPTC-MGPQQGTHSA-N 2 0 283.460 1.857 10 0 CDAERP CC(C)(C)[NH+]1CCN(C(=O)C(C)(C)c2cnc[nH]2)CC1 ZINC001771808510 1186881673 /nfs/dbraw/zinc/88/16/73/1186881673.db2.gz LLKLMLBLTNCUEX-UHFFFAOYSA-N 2 0 278.400 1.630 10 0 CDAERP CN(CC(=O)N1CC[C@@H]([NH+]2CCC2)C1)Cc1ccccc1 ZINC001771924741 1186959701 /nfs/dbraw/zinc/95/97/01/1186959701.db2.gz QCKDMEVEVKNSGB-MRXNPFEDSA-N 2 0 287.407 1.425 10 0 CDAERP Cc1ccccc1NC(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000165320777 710759860 /nfs/dbraw/zinc/75/98/60/710759860.db2.gz CWOQCRQBJAGZHD-ZIAGYGMSSA-N 2 0 275.396 1.850 10 0 CDAERP C[C@@H](CNC1=[NH+]CCCCN1)[N@@H+]1CCC[C@@H](C)C1 ZINC000849215296 705316072 /nfs/dbraw/zinc/31/60/72/705316072.db2.gz ASAMZYMIJWVRBE-OLZOCXBDSA-N 2 0 252.406 1.436 10 0 CDAERP CC(C)[C@H](O)CC[N@@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC000931315878 705338638 /nfs/dbraw/zinc/33/86/38/705338638.db2.gz CQMFFQMIIITPQY-KFWWJZLASA-N 2 0 254.418 1.667 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925817379 705352636 /nfs/dbraw/zinc/35/26/36/705352636.db2.gz QYGRALZJDCUCGE-IRXDYDNUSA-N 3 0 294.487 1.167 10 0 CDAERP CN(CCC[NH+]1CCCC1)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000930310659 705386796 /nfs/dbraw/zinc/38/67/96/705386796.db2.gz LITQQVWIRKUINH-ILXRZTDVSA-N 2 0 268.401 1.208 10 0 CDAERP C[N@H+](CCCCCC[NH3+])CC(=O)NCc1ccccc1F ZINC000872154912 705411012 /nfs/dbraw/zinc/41/10/12/705411012.db2.gz FAPSHXCGBOOZMH-UHFFFAOYSA-N 2 0 295.402 1.893 10 0 CDAERP CCC[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C[C@H]1CCCCO1 ZINC000923311419 705437903 /nfs/dbraw/zinc/43/79/03/705437903.db2.gz LRNIJSLXCQXYLN-HUUCEWRRSA-N 2 0 282.428 1.646 10 0 CDAERP C[NH+](C)CCC[C@@H]1C[N@H+](CCCCCC[NH3+])CCO1 ZINC000852762654 705439146 /nfs/dbraw/zinc/43/91/46/705439146.db2.gz SHCQESKKRWEACF-OAHLLOKOSA-N 3 0 271.449 1.548 10 0 CDAERP [NH3+]C[C@H]1CC[C@H]([NH2+][C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925726863 705538809 /nfs/dbraw/zinc/53/88/09/705538809.db2.gz XKYIOPGGJPZVOX-IHRRRGAJSA-N 3 0 251.418 1.768 10 0 CDAERP Cc1cncc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)n1 ZINC000658260548 705609458 /nfs/dbraw/zinc/60/94/58/705609458.db2.gz AJEUWZADPFIHFA-OAGGEKHMSA-N 2 0 274.412 1.790 10 0 CDAERP COC[C@@H](C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1)C(C)C ZINC000923441042 705634947 /nfs/dbraw/zinc/63/49/47/705634947.db2.gz KCGKYFPDSANOEL-HUUCEWRRSA-N 2 0 284.444 1.735 10 0 CDAERP C[C@@H](CC[NH+](C)C)NC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868184946 705653070 /nfs/dbraw/zinc/65/30/70/705653070.db2.gz HOVQZPPMKJITHC-TUKIKUTGSA-N 2 0 290.411 1.963 10 0 CDAERP C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)[C@@H]1CC[NH2+]C1 ZINC000715570917 705667728 /nfs/dbraw/zinc/66/77/28/705667728.db2.gz GJEXKXMZIQZTCZ-ZUJMUWTESA-N 3 0 253.434 1.837 10 0 CDAERP [NH3+]CCCCCCNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000843505769 705689627 /nfs/dbraw/zinc/68/96/27/705689627.db2.gz MEJXMDATUIFEMC-KGLIPLIRSA-N 2 0 269.433 1.919 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](C[C@@H]2CCC3(COC3)O2)CC1 ZINC000929276116 705698201 /nfs/dbraw/zinc/69/82/01/705698201.db2.gz ORVBJMPBBQFVTP-INIZCTEOSA-N 2 0 296.455 1.988 10 0 CDAERP O[C@H](CC1CCCC1)CN(C1CC1)[C@H]1CC[NH2+]C1 ZINC000923330093 705723222 /nfs/dbraw/zinc/72/32/22/705723222.db2.gz WYLYKDKNXWRRDX-LSDHHAIUSA-N 2 0 252.402 1.754 10 0 CDAERP C[C@@H](NC1C[C@H]2CC[C@@H](C1)S2(=O)=O)[C@@H]1CCCC[NH2+]1 ZINC000724347091 705731996 /nfs/dbraw/zinc/73/19/96/705731996.db2.gz IHCMEYYLOSXVCH-JWURUJNWSA-N 2 0 286.441 1.215 10 0 CDAERP CCC1([NH3+])CC[NH+](C2CCC3(CC2)OCCO3)CC1 ZINC000714751521 705735901 /nfs/dbraw/zinc/73/59/01/705735901.db2.gz DNNODXMWZSPCGP-UHFFFAOYSA-N 2 0 268.401 1.875 10 0 CDAERP CSC1CC([NH2+]C[C@H](O)C[NH+]2CCCCC2)C1 ZINC000708310795 705757247 /nfs/dbraw/zinc/75/72/47/705757247.db2.gz PNGFZTRRFOAELP-CPCZMJQVSA-N 2 0 258.431 1.317 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCC(C)(C)CO1 ZINC000711241117 705852653 /nfs/dbraw/zinc/85/26/53/705852653.db2.gz WLPHXPVSNHHMOW-STQMWFEESA-N 2 0 258.406 1.535 10 0 CDAERP O=C(N1CC[C@@]2(C1)CCC[NH2+]C2)C1([NH2+]C2CC2)CCC1 ZINC000852877417 705855159 /nfs/dbraw/zinc/85/51/59/705855159.db2.gz HHKIHOYNWJDIBJ-HNNXBMFYSA-N 2 0 277.412 1.263 10 0 CDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C/C=C/Cl)CC1 ZINC000105915599 705856052 /nfs/dbraw/zinc/85/60/52/705856052.db2.gz USJDDYNVXUAXFW-UXONFWTHSA-N 2 0 260.809 1.764 10 0 CDAERP Cc1cn(C)nc1CN1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000723982763 705889075 /nfs/dbraw/zinc/88/90/75/705889075.db2.gz YHXRABSKJJAEMB-SMDDNHRTSA-N 2 0 250.390 1.678 10 0 CDAERP C[C@H]1CC[C@@H]([NH2+]CCCN(C)CC[NH+](C)C)CS1 ZINC000857784105 705912551 /nfs/dbraw/zinc/91/25/51/705912551.db2.gz QSNLVDBCQMAALL-UONOGXRCSA-N 2 0 273.490 1.744 10 0 CDAERP CC[C@@H]1CCN(C(=[NH2+])NCC2(C)CC[NH+](C)CC2)C1 ZINC000864462565 705920871 /nfs/dbraw/zinc/92/08/71/705920871.db2.gz MYERFAKTLIXHAL-CYBMUJFWSA-N 2 0 266.433 1.975 10 0 CDAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CC[C@H]1CCC[NH2+]C1)CC2 ZINC000923450157 705926969 /nfs/dbraw/zinc/92/69/69/705926969.db2.gz FRMCHNHESMRKAP-HUUCEWRRSA-N 3 0 281.444 1.206 10 0 CDAERP CN(C[C@@H](O)C[NH2+]C1(CO)CCCCCCC1)C1CC1 ZINC000713472888 705931117 /nfs/dbraw/zinc/93/11/17/705931117.db2.gz MWJWGHNUFHJOIJ-HNNXBMFYSA-N 2 0 284.444 1.507 10 0 CDAERP CC1([C@H]2CCC[N@@H+](C[C@]3(C)CC[NH2+]C3)C2)OCCO1 ZINC000262006847 705950545 /nfs/dbraw/zinc/95/05/45/705950545.db2.gz LXMMMLDABIHZMG-UONOGXRCSA-N 2 0 268.401 1.461 10 0 CDAERP Cc1cc([C@@H]([NH3+])CC(=O)NC(C)(C)C[NH3+])cc(Cl)n1 ZINC000843336643 705953174 /nfs/dbraw/zinc/95/31/74/705953174.db2.gz CMCPPZWAQDHKOK-JTQLQIEISA-N 2 0 284.791 1.287 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCc1cccc2c1OCCO2 ZINC000925873743 706007811 /nfs/dbraw/zinc/00/78/11/706007811.db2.gz CWRYQJINHCILAJ-OLZOCXBDSA-N 2 0 262.353 1.470 10 0 CDAERP C[C@@H](C[NH2+][C@@H](C)c1ccnnc1)CN1CC[NH+](C)CC1 ZINC000924949738 706013410 /nfs/dbraw/zinc/01/34/10/706013410.db2.gz HIOOLPOUCHMANK-KBPBESRZSA-N 2 0 277.416 1.011 10 0 CDAERP C[NH+](C)C1CCC([NH2+]C2CC(S(C)(=O)=O)C2)CC1 ZINC000715545220 706019006 /nfs/dbraw/zinc/01/90/06/706019006.db2.gz UXGMUOGZPYOBRL-UHFFFAOYSA-N 2 0 274.430 1.024 10 0 CDAERP C[C@@H]1C[N@H+](CCCC2CC[NH2+]CC2)CC[C@H]1C[NH3+] ZINC000923496050 706030624 /nfs/dbraw/zinc/03/06/24/706030624.db2.gz ZDGHJYJUECDTIS-HIFRSBDPSA-N 3 0 253.434 1.683 10 0 CDAERP C[C@H](CNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)[NH+]1CCCCC1 ZINC000841726283 706046200 /nfs/dbraw/zinc/04/62/00/706046200.db2.gz QYFFRUDEHWAGPT-KFWWJZLASA-N 2 0 294.443 1.397 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)c2coc(C[NH3+])c2)C1 ZINC000870994701 706080356 /nfs/dbraw/zinc/08/03/56/706080356.db2.gz UAPWJSMXHMFEBA-HNNXBMFYSA-N 2 0 279.384 1.575 10 0 CDAERP CC1(C)[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925563895 706090131 /nfs/dbraw/zinc/09/01/31/706090131.db2.gz WSKGNFVCTLXPJY-DGXTUMSLSA-N 3 0 277.456 1.979 10 0 CDAERP C[C@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723893759 706164021 /nfs/dbraw/zinc/16/40/21/706164021.db2.gz CXQNGGZDZSUMCY-MGPQQGTHSA-N 2 0 267.417 1.304 10 0 CDAERP NC(=O)c1ccc(CC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000866665864 706245575 /nfs/dbraw/zinc/24/55/75/706245575.db2.gz JEMXNBGYZKRAOT-LSDHHAIUSA-N 2 0 273.380 1.012 10 0 CDAERP C[C@H]1C[N@H+](CC(=O)NCc2cccs2)CC[C@@H]1C[NH3+] ZINC000923503919 709826943 /nfs/dbraw/zinc/82/69/43/709826943.db2.gz MLLWEVWIWDZACI-NWDGAFQWSA-N 2 0 281.425 1.281 10 0 CDAERP CN(C(=O)NCCCCCC[NH3+])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000831263514 709845132 /nfs/dbraw/zinc/84/51/32/709845132.db2.gz KNAOLBCLADBJQJ-CQSZACIVSA-N 2 0 282.432 1.384 10 0 CDAERP CCCC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000066245816 709863357 /nfs/dbraw/zinc/86/33/57/709863357.db2.gz NYIIFORBBZVYCN-CABCVRRESA-N 2 0 296.459 1.724 10 0 CDAERP Cn1cnc(CCC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)n1 ZINC000925708491 709876315 /nfs/dbraw/zinc/87/63/15/709876315.db2.gz STTNOHXCZNUEGG-GJZGRUSLSA-N 2 0 291.443 1.506 10 0 CDAERP CC[C@H]([NH2+]CCC[N@H+](C)CCOC)[C@@H]1CCCOC1 ZINC000872022512 709880251 /nfs/dbraw/zinc/88/02/51/709880251.db2.gz JHHCJGLNHNCHSG-CABCVRRESA-N 2 0 272.433 1.750 10 0 CDAERP C[C@H]1CN(C)C[C@@H]1[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925887676 709895783 /nfs/dbraw/zinc/89/57/83/709895783.db2.gz JRQIBCOVHTWCCP-QSPRXWTASA-N 2 0 273.424 1.585 10 0 CDAERP CC(C)[C@@H]1COCC[C@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000926357915 709926724 /nfs/dbraw/zinc/92/67/24/709926724.db2.gz SBBPYXBVOWEVHF-JKSUJKDBSA-N 2 0 297.487 1.663 10 0 CDAERP CCOC(=O)c1cc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)on1 ZINC000866513911 709960711 /nfs/dbraw/zinc/96/07/11/709960711.db2.gz DMYPMVBIYGTJAR-LLVKDONJSA-N 2 0 295.383 1.671 10 0 CDAERP CCCCCC[N@H+](C)CC(=O)NC1CC([NH+](C)C)C1 ZINC000857230659 709960969 /nfs/dbraw/zinc/96/09/69/709960969.db2.gz KTSYAVYJCZHKND-UHFFFAOYSA-N 2 0 269.433 1.707 10 0 CDAERP [NH3+]C[C@@H]1CCN(C[C@@H]2CC[C@@H](C(F)(F)F)O2)C1 ZINC000721445055 710013314 /nfs/dbraw/zinc/01/33/14/710013314.db2.gz OSJWWRCESLCVJV-GUBZILKMSA-N 2 0 252.280 1.377 10 0 CDAERP C[N@H+](CCC1CCOCC1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923314144 710039289 /nfs/dbraw/zinc/03/92/89/710039289.db2.gz QMEDFPYEXRKPAR-AWEZNQCLSA-N 2 0 268.401 1.113 10 0 CDAERP C(C[NH2+]C1CC1)C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000923370116 710051298 /nfs/dbraw/zinc/05/12/98/710051298.db2.gz DDFSKGSBWORIEH-AWEZNQCLSA-N 2 0 252.402 1.877 10 0 CDAERP [NH3+]CCCCCCC[N@@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000842478916 710075086 /nfs/dbraw/zinc/07/50/86/710075086.db2.gz RBDLTNRNTDBFGN-GJZGRUSLSA-N 2 0 281.444 1.886 10 0 CDAERP Cc1noc2ncc(C[NH2+]CCOCC[NH+](C)C)cc12 ZINC000922009161 710156556 /nfs/dbraw/zinc/15/65/56/710156556.db2.gz PJDVNSTWSWNMAQ-UHFFFAOYSA-N 2 0 278.356 1.199 10 0 CDAERP C[C@H](CC1CCC1)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925853609 710170042 /nfs/dbraw/zinc/17/00/42/710170042.db2.gz QBTURFHWYKTLPQ-OCCSQVGLSA-N 2 0 280.412 1.840 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC(=O)N(CC2CC2)C1 ZINC000716742912 710228833 /nfs/dbraw/zinc/22/88/33/710228833.db2.gz XMYBHHGRBWVILZ-MELADBBJSA-N 2 0 265.401 1.104 10 0 CDAERP [NH2+]=C(NCCNc1cc[nH+]cc1)NCCc1cccs1 ZINC000848995398 710246010 /nfs/dbraw/zinc/24/60/10/710246010.db2.gz RXJDVOLBJPAFJK-UHFFFAOYSA-N 2 0 289.408 1.334 10 0 CDAERP C[C@H]1COCC[C@@H]1N1CCc2sc(C[NH3+])nc2C1 ZINC000710138426 710260127 /nfs/dbraw/zinc/26/01/27/710260127.db2.gz MHHLJMIZGKNHDT-ONGXEEELSA-N 2 0 267.398 1.385 10 0 CDAERP [NH3+]CCCCCCC[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000842473041 710260807 /nfs/dbraw/zinc/26/08/07/710260807.db2.gz MPLWUZAOPGSJKH-NSHDSACASA-N 2 0 268.323 1.895 10 0 CDAERP c1cc(CCN[C@H]2CC[NH2+]C23CCC3)cc2c1OCO2 ZINC000925512090 710276780 /nfs/dbraw/zinc/27/67/80/710276780.db2.gz ZGFBWOBCTWMYSD-HNNXBMFYSA-N 2 0 274.364 1.832 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@H]2CCc3ccccc3C2)CC1 ZINC000925807242 710277376 /nfs/dbraw/zinc/27/73/76/710277376.db2.gz DPUJGSAMTPAPBX-KRWDZBQOSA-N 2 0 273.424 1.557 10 0 CDAERP COC(=O)c1cc(CN2CC[C@H](C[NH3+])C2)ccc1C ZINC000872141773 710320365 /nfs/dbraw/zinc/32/03/65/710320365.db2.gz SRDRCACRLVDWGB-CYBMUJFWSA-N 2 0 262.353 1.562 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)C[C@H]1CCC(C)(C)CO1 ZINC000713596300 710324007 /nfs/dbraw/zinc/32/40/07/710324007.db2.gz KYPSFZDEKKEMEW-CYBMUJFWSA-N 2 0 258.406 1.359 10 0 CDAERP CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000714243711 710326105 /nfs/dbraw/zinc/32/61/05/710326105.db2.gz HFHHAWOWPOYWPC-XGFWRYKXSA-N 2 0 286.441 1.072 10 0 CDAERP COC/C(C)=C/C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000930115168 710362390 /nfs/dbraw/zinc/36/23/90/710362390.db2.gz VZZVZPVCBYZYLI-GIDUJCDVSA-N 2 0 283.460 1.537 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CC[NH+](C)[C@H]1C ZINC000922518247 710377954 /nfs/dbraw/zinc/37/79/54/710377954.db2.gz WLNPBGAWNKARCZ-RWMBFGLXSA-N 2 0 270.421 1.107 10 0 CDAERP Cn1ncc2c1CCC[C@H]2NC[C@H]1C[NH2+]CCC1(F)F ZINC000925784354 710381085 /nfs/dbraw/zinc/38/10/85/710381085.db2.gz RANDYTNUBNLOAK-ZYHUDNBSSA-N 2 0 284.354 1.632 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)[C@H]1C[C@@H]1[C@H]1C[C@H]1C ZINC000869236910 710384546 /nfs/dbraw/zinc/38/45/46/710384546.db2.gz MCESBJJCUKREIL-CWVYHPPDSA-N 2 0 295.471 1.667 10 0 CDAERP C[C@@H]1C[C@@H](C)N(CCCCS(C)(=O)=O)C[C@@H]1C[NH3+] ZINC000706516734 710395052 /nfs/dbraw/zinc/39/50/52/710395052.db2.gz ZUGNXAOMZVLCML-UPJWGTAASA-N 2 0 276.446 1.116 10 0 CDAERP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000722395959 710408252 /nfs/dbraw/zinc/40/82/52/710408252.db2.gz PKCSFHFFMNXNII-JXUBOQSCSA-N 2 0 266.307 1.812 10 0 CDAERP C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000715570369 710420283 /nfs/dbraw/zinc/42/02/83/710420283.db2.gz DOIRKBDNZZITOH-PGOFDVKTSA-N 2 0 281.444 1.896 10 0 CDAERP CC(=O)c1ccc2c(c1)CC[N@H+]([C@H]1C[C@H]([NH3+])C[C@@H]1O)CC2 ZINC000923374743 710441377 /nfs/dbraw/zinc/44/13/77/710441377.db2.gz ZGBKDHIZYCYODZ-ULQDDVLXSA-N 2 0 288.391 1.140 10 0 CDAERP C[C@H]1CCC[C@](CNC2=[NH+]CCCCN2)([NH+](C)C)C1 ZINC000700228418 710443164 /nfs/dbraw/zinc/44/31/64/710443164.db2.gz PCFHERDBZVUXER-ZFWWWQNUSA-N 2 0 266.433 1.826 10 0 CDAERP COc1ccccc1OCC[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723907776 710449140 /nfs/dbraw/zinc/44/91/40/710449140.db2.gz DPMLZCKUHYRPMI-ZIAGYGMSSA-N 2 0 278.396 1.991 10 0 CDAERP Cc1noc(C)c1C[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923304941 710489806 /nfs/dbraw/zinc/48/98/06/710489806.db2.gz CVYKOPWPVNOIGE-GFCCVEGCSA-N 2 0 265.357 1.102 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000849047251 710561732 /nfs/dbraw/zinc/56/17/32/710561732.db2.gz RYGQNRBKPIYGGW-ZDUSSCGKSA-N 2 0 270.421 1.209 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]CCNC(=O)c2ccccc2F)C12CCC2 ZINC000925492597 710561741 /nfs/dbraw/zinc/56/17/41/710561741.db2.gz IACZYTLZISWMDY-ZIAGYGMSSA-N 2 0 291.370 1.415 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)C(C)(C)[C@@H]([NH3+])C(C)C ZINC000713026631 710575062 /nfs/dbraw/zinc/57/50/62/710575062.db2.gz YQCCVJYMUZLSAH-ZDUSSCGKSA-N 2 0 271.449 1.844 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)c2ccccc21 ZINC000724611994 710588804 /nfs/dbraw/zinc/58/88/04/710588804.db2.gz DTIIWSLUAZUTFA-RQMZHTQNSA-N 2 0 274.364 1.525 10 0 CDAERP CC1(C)[C@H]([NH2+]C2CCC(CO)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925611212 710619272 /nfs/dbraw/zinc/61/92/72/710619272.db2.gz KPHCKZHNGOKIBE-IPOFZDNWSA-N 2 0 266.429 1.904 10 0 CDAERP C[C@H](C[NH2+][C@H](C1CCC1)[C@H]1CCOC1)N1CC[NH+](C)CC1 ZINC000924967898 710705649 /nfs/dbraw/zinc/70/56/49/710705649.db2.gz ZWMAKTCJANZNQD-HYVNUMGLSA-N 2 0 295.471 1.417 10 0 CDAERP O[C@@H]1CC[N@@H+](C2CC[NH+](CC3(O)CCCCC3)CC2)C1 ZINC000852708649 710721556 /nfs/dbraw/zinc/72/15/56/710721556.db2.gz GUSSPDSCXWHIIL-OAHLLOKOSA-N 2 0 282.428 1.213 10 0 CDAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CC[NH+](C)[C@H]1C ZINC000925328720 710723739 /nfs/dbraw/zinc/72/37/39/710723739.db2.gz HZWDLHSQUMMPEE-XGUBFFRZSA-N 2 0 294.443 1.347 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870866240 710728483 /nfs/dbraw/zinc/72/84/83/710728483.db2.gz PALMVUYHSRUFKF-XFMPKHEZSA-N 2 0 265.401 1.104 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1nc(CN(C)C)cs1 ZINC000722394088 710772572 /nfs/dbraw/zinc/77/25/72/710772572.db2.gz MUTOJCJMMISCLQ-LLVKDONJSA-N 2 0 286.445 1.048 10 0 CDAERP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CC[NH2+]2)cc1F ZINC000844189551 710803134 /nfs/dbraw/zinc/80/31/34/710803134.db2.gz NWKUOQWXWVDRAR-GFCCVEGCSA-N 2 0 251.305 1.188 10 0 CDAERP C[N@@H+]1CCN(C(=O)[C@@H]2CCCC[NH2+]2)CCC1(C)C ZINC000712672002 710844088 /nfs/dbraw/zinc/84/40/88/710844088.db2.gz FDHYPZJPWJSZBS-LBPRGKRZSA-N 2 0 253.390 1.071 10 0 CDAERP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925839113 710862090 /nfs/dbraw/zinc/86/20/90/710862090.db2.gz FVRSWEDJJDYIHN-GBJTYRQASA-N 3 0 251.418 1.496 10 0 CDAERP C[C@H]([NH2+]CCOCCC[NH3+])c1ccc2c(c1)CCO2 ZINC000863548487 711390277 /nfs/dbraw/zinc/39/02/77/711390277.db2.gz XXOACBYSYLFDFY-LBPRGKRZSA-N 2 0 264.369 1.638 10 0 CDAERP C([NH2+]C1CC[NH+](CC2CC2)CC1)[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000926944715 711448624 /nfs/dbraw/zinc/44/86/24/711448624.db2.gz GHAIWOONBYNFFL-BMFZPTHFSA-N 2 0 280.412 1.254 10 0 CDAERP O=C1N[C@H](C2CC[NH+](CCCC3CC[NH2+]CC3)CC2)CO1 ZINC000923526902 711491496 /nfs/dbraw/zinc/49/14/96/711491496.db2.gz VJNDPOKCQJVREJ-HNNXBMFYSA-N 2 0 295.427 1.587 10 0 CDAERP C[NH2+]C(C)(C)CNC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868182611 711498491 /nfs/dbraw/zinc/49/84/91/711498491.db2.gz QCHVSSXXJAOLMZ-QWHCGFSZSA-N 2 0 276.384 1.621 10 0 CDAERP C[C@@H]1C[C@@H]1NC(=[NH2+])NCc1ccc(OCC[NH+](C)C)cc1 ZINC000864451116 711540723 /nfs/dbraw/zinc/54/07/23/711540723.db2.gz ADNOCNQEKCATIY-DOMZBBRYSA-N 2 0 290.411 1.649 10 0 CDAERP C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H]3CCCC[C@@H]32)CC1 ZINC000878850129 711554169 /nfs/dbraw/zinc/55/41/69/711554169.db2.gz UBLWRHJPEDLPPY-JSGCOSHPSA-N 2 0 265.401 1.071 10 0 CDAERP C[C@@H]1[C@H](NC(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC[NH+]1C ZINC000921383794 711556365 /nfs/dbraw/zinc/55/63/65/711556365.db2.gz CEDBGYVVBWBPEN-FMCLSXCISA-N 2 0 280.416 1.003 10 0 CDAERP CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000925336865 711585247 /nfs/dbraw/zinc/58/52/47/711585247.db2.gz NIWDCYIPLFYSKS-QWHCGFSZSA-N 2 0 270.421 1.061 10 0 CDAERP C[C@H](C(=O)N(C)C1CCCCC1)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872154389 711598743 /nfs/dbraw/zinc/59/87/43/711598743.db2.gz RZPRCKCJQGFNKN-JKIFEVAISA-N 2 0 293.455 1.707 10 0 CDAERP COC1(OC)CC[C@H]1NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000926288674 711608604 /nfs/dbraw/zinc/60/86/04/711608604.db2.gz WVSYCOFIELOVJN-UONOGXRCSA-N 2 0 286.416 1.228 10 0 CDAERP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3CCC[C@H](O)C3)C[C@]2(C)C1 ZINC000702317363 711620657 /nfs/dbraw/zinc/62/06/57/711620657.db2.gz GRGUTOOSIMKOGE-KBXIAJHMSA-N 2 0 252.402 1.421 10 0 CDAERP C(C[NH2+]C1CC1)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000923355730 711628888 /nfs/dbraw/zinc/62/88/88/711628888.db2.gz BFCWNEKEAMEJGQ-CQSZACIVSA-N 3 0 251.418 1.450 10 0 CDAERP Cc1cc(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)n(C)n1 ZINC000850353854 711652581 /nfs/dbraw/zinc/65/25/81/711652581.db2.gz OBPNSPRCXQHVMN-AWEZNQCLSA-N 2 0 281.448 1.090 10 0 CDAERP COC[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)C1CCOCC1 ZINC000925776866 711662855 /nfs/dbraw/zinc/66/28/55/711662855.db2.gz NCEWVWJNWNXZFX-CHWSQXEVSA-N 2 0 292.370 1.262 10 0 CDAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000923495055 711665484 /nfs/dbraw/zinc/66/54/84/711665484.db2.gz SNYXCOOMDDGFCV-SJORKVTESA-N 3 0 296.503 1.319 10 0 CDAERP CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925876075 711675753 /nfs/dbraw/zinc/67/57/53/711675753.db2.gz QMWSXGFZJYIHNK-YVECIDJPSA-N 2 0 274.430 1.059 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCOC2CCOCC2)C1 ZINC000925877814 711689091 /nfs/dbraw/zinc/68/90/91/711689091.db2.gz MFRFJTZJCROKAX-QWHCGFSZSA-N 2 0 270.417 1.678 10 0 CDAERP CC[C@@H]1CC[C@@H](C)[N@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878953089 711689277 /nfs/dbraw/zinc/68/92/77/711689277.db2.gz FDINOSHDHUAZHO-ZIAGYGMSSA-N 2 0 281.444 1.707 10 0 CDAERP c1cncc(C[C@H]([NH2+][C@H]2CNCCOC2)C2CCCC2)c1 ZINC000925728982 711715316 /nfs/dbraw/zinc/71/53/16/711715316.db2.gz MYRIHYVHSDGLJZ-IRXDYDNUSA-N 2 0 289.423 1.761 10 0 CDAERP CCCCC[C@H](C)NC(=O)CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000312658231 711723067 /nfs/dbraw/zinc/72/30/67/711723067.db2.gz GVUKIRPYSUUWBN-XQLPTFJDSA-N 2 0 281.444 1.741 10 0 CDAERP CC[NH+]1CCC(NC[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000925840167 711745490 /nfs/dbraw/zinc/74/54/90/711745490.db2.gz HOBGVBYQIGPQED-HUUCEWRRSA-N 2 0 251.418 1.593 10 0 CDAERP CC(C)CC[C@@H](O)C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923446126 711756144 /nfs/dbraw/zinc/75/61/44/711756144.db2.gz ZZYSMFZCVPJSKB-CABCVRRESA-N 2 0 284.444 1.613 10 0 CDAERP CC(C)(C)CC[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872257875 711759603 /nfs/dbraw/zinc/75/96/03/711759603.db2.gz ZXOFWMZWLRVHCI-XQQFMLRXSA-N 2 0 281.400 1.290 10 0 CDAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000227454166 711763738 /nfs/dbraw/zinc/76/37/38/711763738.db2.gz ZRAXDDXGRDMKBG-REWJHTLYSA-N 2 0 265.401 1.199 10 0 CDAERP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925777427 711763908 /nfs/dbraw/zinc/76/39/08/711763908.db2.gz DOWOBWKMPQBMNF-NEPJUHHUSA-N 2 0 291.386 1.468 10 0 CDAERP O=C1CC2(CCC2)[N@H+](CCCC2CC[NH2+]CC2)CCN1 ZINC000872157919 711772792 /nfs/dbraw/zinc/77/27/92/711772792.db2.gz VDXYMSRODIDVKN-UHFFFAOYSA-N 2 0 279.428 1.511 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000713402840 711775260 /nfs/dbraw/zinc/77/52/60/711775260.db2.gz LIRPKGMSNVLVMP-FOCJUVANSA-N 2 0 279.428 1.350 10 0 CDAERP C[NH2+]C[C@@H](C)C(=O)NC[C@H]1c2ccccc2CN1C ZINC000867999134 711775518 /nfs/dbraw/zinc/77/55/18/711775518.db2.gz SNKCQJFCUJFYCH-RISCZKNCSA-N 2 0 261.369 1.145 10 0 CDAERP CCCCc1noc(CN2CC[C@H](C[NH3+])[C@@H](C)C2)n1 ZINC000923502283 711783698 /nfs/dbraw/zinc/78/36/98/711783698.db2.gz YOHOLBYOQPZXAK-NWDGAFQWSA-N 2 0 266.389 1.829 10 0 CDAERP C[N@@H+]1CCCC[C@H](CNCc2cnn(CCF)c2)C1 ZINC000922284008 711783770 /nfs/dbraw/zinc/78/37/70/711783770.db2.gz LNDWQNSLLXQXTE-CYBMUJFWSA-N 2 0 268.380 1.674 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)[C@H]1C[NH2+]CC1(C)C)c1cccs1 ZINC000711354939 711785317 /nfs/dbraw/zinc/78/53/17/711785317.db2.gz PLRNGWWBPFKBPJ-NEPJUHHUSA-N 2 0 295.452 1.713 10 0 CDAERP CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000227765309 711787035 /nfs/dbraw/zinc/78/70/35/711787035.db2.gz QJHHYZNCVYABSE-AVGNSLFASA-N 2 0 255.406 1.064 10 0 CDAERP C[NH+](C)Cc1cc(C[NH2+]C[C@@H](O)CC(C)(C)O)ccc1F ZINC000872201756 711790713 /nfs/dbraw/zinc/79/07/13/711790713.db2.gz IKNOAKKVLPFZIZ-AWEZNQCLSA-N 2 0 298.402 1.499 10 0 CDAERP Cc1ccsc1CNC(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923498209 711795524 /nfs/dbraw/zinc/79/55/24/711795524.db2.gz KAVAFRDZWGLIIO-QWHCGFSZSA-N 2 0 295.452 1.589 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000925324258 711799963 /nfs/dbraw/zinc/79/99/63/711799963.db2.gz BQMDYXYRXMLPDB-MCIONIFRSA-N 2 0 282.432 1.205 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1noc(C2CC2)n1 ZINC000849014466 711802539 /nfs/dbraw/zinc/80/25/39/711802539.db2.gz BIZHTNMFUVNQFO-LLVKDONJSA-N 2 0 292.387 1.045 10 0 CDAERP CN1C[C@H](CC[NH2+][C@@H](CCC[NH3+])c2ccccc2)CC1=O ZINC000925813981 711802806 /nfs/dbraw/zinc/80/28/06/711802806.db2.gz WKCLBJLBXGNPBR-ZBFHGGJFSA-N 2 0 289.423 1.925 10 0 CDAERP CC(C)[C@H]1COCC[C@@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000925215812 711809176 /nfs/dbraw/zinc/80/91/76/711809176.db2.gz PGCVLBLYCOKGNV-SJORKVTESA-N 2 0 297.487 1.663 10 0 CDAERP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCCc3cn[nH]c32)CC1 ZINC000857846528 711820887 /nfs/dbraw/zinc/82/08/87/711820887.db2.gz CENJDBRGBPXXOP-ZFWWWQNUSA-N 2 0 291.443 1.403 10 0 CDAERP C[NH+](C)C[C@](C)(O)C[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000721572975 711826957 /nfs/dbraw/zinc/82/69/57/711826957.db2.gz VJTJTBYAGCCMPB-UMVBOHGHSA-N 2 0 272.433 1.482 10 0 CDAERP CCSc1ccccc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000923460370 711828795 /nfs/dbraw/zinc/82/87/95/711828795.db2.gz MSQRUOLSTJUBOE-UHFFFAOYSA-N 2 0 279.453 1.793 10 0 CDAERP C[C@@H](C[NH+]1CCC(C)CC1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000925704249 711835897 /nfs/dbraw/zinc/83/58/97/711835897.db2.gz DFTNPOJGLJBBOX-LSDHHAIUSA-N 2 0 265.445 1.981 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCC1CC1 ZINC000864469406 1164548994 /nfs/dbraw/zinc/54/89/94/1164548994.db2.gz UXCOTYMMISLMKM-ZDUSSCGKSA-N 2 0 252.406 1.775 10 0 CDAERP CC[N@@H+]1CC[C@@H]1C(=O)N1CCC(C)([NH+]2CCC2)CC1 ZINC001633141100 1166402919 /nfs/dbraw/zinc/40/29/19/1166402919.db2.gz RBAWDYQDPZICIP-CYBMUJFWSA-N 2 0 265.401 1.167 10 0 CDAERP CCCCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001571599969 1167601003 /nfs/dbraw/zinc/60/10/03/1167601003.db2.gz IZIJVWUURAGIHT-LSDHHAIUSA-N 2 0 299.459 1.022 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CC=C(C)C)C2)CC[N@@H+]1C ZINC001566765959 1168412983 /nfs/dbraw/zinc/41/29/83/1168412983.db2.gz LMKFWNXTMDXYMV-HRCADAONSA-N 2 0 293.455 1.873 10 0 CDAERP CC(C)[NH+](C)CC(=O)NCCC[C@H]1CCC[N@H+]1C[C@H](C)O ZINC001567266251 1168643454 /nfs/dbraw/zinc/64/34/54/1168643454.db2.gz HHSPILKKTDNMFS-GJZGRUSLSA-N 2 0 299.459 1.068 10 0 CDAERP CCC[N@H+](C)CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001567314313 1168675620 /nfs/dbraw/zinc/67/56/20/1168675620.db2.gz WHIVXSBZVALFMJ-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP C[NH+]1CCC(CC(=O)N[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001175053092 913443913 /nfs/dbraw/zinc/44/39/13/913443913.db2.gz AQQUGDKYJNIBMF-HNNXBMFYSA-N 2 0 265.401 1.073 10 0 CDAERP CC[NH2+][C@H]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001266692821 895843511 /nfs/dbraw/zinc/84/35/11/895843511.db2.gz DUDSVJFZCFFWGM-XQQFMLRXSA-N 2 0 253.390 1.118 10 0 CDAERP CC/C=C\CC[NH2+][C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001266992985 896510236 /nfs/dbraw/zinc/51/02/36/896510236.db2.gz GKRYLXJJELJWKQ-ZRUQZJFASA-N 2 0 267.417 1.533 10 0 CDAERP CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001267070686 896685105 /nfs/dbraw/zinc/68/51/05/896685105.db2.gz ORNCZFTZUXWCHR-HUUCEWRRSA-N 2 0 281.444 1.709 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]CCC(=O)N2CCCCC2)C12CCC2 ZINC000405314005 897584190 /nfs/dbraw/zinc/58/41/90/897584190.db2.gz QKCUJAANYKVHIQ-CHWSQXEVSA-N 2 0 265.401 1.249 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)CC[NH2+]CC1CCC1 ZINC001267451272 897917307 /nfs/dbraw/zinc/91/73/07/897917307.db2.gz CDCYLDZZTTWHFM-UHFFFAOYSA-N 2 0 255.406 1.176 10 0 CDAERP C[C@H](F)CC[N@@H+]1CCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001481042291 898664185 /nfs/dbraw/zinc/66/41/85/898664185.db2.gz FPOWCCNKUVAULV-UONOGXRCSA-N 2 0 299.434 1.799 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001267629871 899088582 /nfs/dbraw/zinc/08/85/82/899088582.db2.gz OQAHAHWXWLMVBI-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@H](F)CC[NH2+]CCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001481242379 899593736 /nfs/dbraw/zinc/59/37/36/899593736.db2.gz IHROLCGRSBSGIT-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@@H](C[N@H+](C)C[C@H]1CC(C)(C)CO1)NC(=O)CC[NH+](C)C ZINC001420614722 899642384 /nfs/dbraw/zinc/64/23/84/899642384.db2.gz HSLCDFAOWUJSFC-UONOGXRCSA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@H](C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001481528529 901082023 /nfs/dbraw/zinc/08/20/23/901082023.db2.gz SAWDBXKRUAJONZ-ZNMIVQPWSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)C[NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001268099763 901287471 /nfs/dbraw/zinc/28/74/71/901287471.db2.gz HYBIYRRXUAFWRT-ZDUSSCGKSA-N 2 0 255.406 1.175 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC2CC(C)C2)C1)[NH+](C)C ZINC001481690228 901800408 /nfs/dbraw/zinc/80/04/08/901800408.db2.gz UGMQZMVTCNFWHO-PFSRBDOWSA-N 2 0 281.444 1.563 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)CC[NH2+]C/C=C/Cl)[NH+](C)C ZINC001268376416 901959246 /nfs/dbraw/zinc/95/92/46/901959246.db2.gz XRAQGNIHVXAUOR-TXBNAWBVSA-N 2 0 275.824 1.564 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(C)C ZINC001268647896 902896319 /nfs/dbraw/zinc/89/63/19/902896319.db2.gz LGVIFTDAHIGDTI-KGLIPLIRSA-N 2 0 269.433 1.611 10 0 CDAERP CC/C=C/CCN1CCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001482198072 903234466 /nfs/dbraw/zinc/23/44/66/903234466.db2.gz HMVPGDMSCAKKNL-NFAHFFEMSA-N 2 0 297.443 1.111 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001269261809 903619849 /nfs/dbraw/zinc/61/98/49/903619849.db2.gz CSPRAQNALYXAPF-DOOVEFGSSA-N 2 0 293.455 1.970 10 0 CDAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC1CCC1 ZINC001269511216 903875569 /nfs/dbraw/zinc/87/55/69/903875569.db2.gz XQDCPMQIBNXAPM-KBPBESRZSA-N 2 0 267.417 1.223 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCC1CC1 ZINC001270075915 904327278 /nfs/dbraw/zinc/32/72/78/904327278.db2.gz MRUWOCBYMZSOKN-HOTGVXAUSA-N 2 0 293.455 1.851 10 0 CDAERP CC(C)C[C@H](C[NH2+]CCF)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001271255067 906214456 /nfs/dbraw/zinc/21/44/56/906214456.db2.gz RCLLROVIPVZFCM-OLZOCXBDSA-N 2 0 273.396 1.171 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCCF)[C@@H](C)C1 ZINC001271459415 906464352 /nfs/dbraw/zinc/46/43/52/906464352.db2.gz SEQMTYPKSOALBC-UONOGXRCSA-N 2 0 287.423 1.513 10 0 CDAERP CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)C(C)C ZINC001271758655 906780654 /nfs/dbraw/zinc/78/06/54/906780654.db2.gz CTLSLVKVQKSCOV-UONOGXRCSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)=CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001482586069 907426319 /nfs/dbraw/zinc/42/63/19/907426319.db2.gz GEMITRAMMWRILB-AWEZNQCLSA-N 2 0 267.417 1.437 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001482698001 908292813 /nfs/dbraw/zinc/29/28/13/908292813.db2.gz NLCJJTZNBVHLMJ-JKSUJKDBSA-N 2 0 293.455 1.923 10 0 CDAERP CC(C)[NH2+]CC[C@@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001482840890 908417863 /nfs/dbraw/zinc/41/78/63/908417863.db2.gz ABVNGWFGKFLGGR-KGLIPLIRSA-N 2 0 269.433 1.754 10 0 CDAERP C[C@H](CC[NH2+]CC[C@@H]1CCCO1)NC(=O)C[NH+]1CCCC1 ZINC001482899666 908466974 /nfs/dbraw/zinc/46/69/74/908466974.db2.gz UKSZYDTVDVXAEK-CABCVRRESA-N 2 0 297.443 1.136 10 0 CDAERP C[N@H+](CCCNC1=[NH+]CCCCN1)Cc1ccccc1 ZINC000697662354 909008588 /nfs/dbraw/zinc/00/85/88/909008588.db2.gz KTPRMYPDKZYUSP-UHFFFAOYSA-N 2 0 274.412 1.838 10 0 CDAERP c1ccc(C[N@H+]2CCC[C@@H]2CNC2=[NH+]CCCCN2)cc1 ZINC000697671990 909180154 /nfs/dbraw/zinc/18/01/54/909180154.db2.gz VUXLXUACQQOMDA-MRXNPFEDSA-N 2 0 286.423 1.980 10 0 CDAERP CN(CCNC1=[NH+]CCCCN1)Cc1ccccc1 ZINC000697746237 909221304 /nfs/dbraw/zinc/22/13/04/909221304.db2.gz BCBBJQSOJLKKSB-UHFFFAOYSA-N 2 0 260.385 1.447 10 0 CDAERP CCOCC[NH2+]CC1(NC(=O)[C@H]2CCC[N@@H+]2C)CCCC1 ZINC001567995746 1169111739 /nfs/dbraw/zinc/11/17/39/1169111739.db2.gz ZSSMCWMDJQXHLT-CQSZACIVSA-N 2 0 297.443 1.136 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001483228943 910307127 /nfs/dbraw/zinc/30/71/27/910307127.db2.gz STURVZGZSFQHJP-ZFWWWQNUSA-N 2 0 281.444 1.469 10 0 CDAERP CC[NH2+][C@H](C)[C@@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001409416377 910380796 /nfs/dbraw/zinc/38/07/96/910380796.db2.gz ZIMMPBKAOVDGSL-VXGBXAGGSA-N 2 0 287.367 1.384 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001483385495 911046275 /nfs/dbraw/zinc/04/62/75/911046275.db2.gz XFVQOILWAMZITN-CABCVRRESA-N 2 0 281.444 1.731 10 0 CDAERP CCC[NH2+]CCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001483466273 911155659 /nfs/dbraw/zinc/15/56/59/911155659.db2.gz DJWHCMUNRJNCMX-CQSZACIVSA-N 2 0 267.417 1.176 10 0 CDAERP CC(C)CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001483579939 911289996 /nfs/dbraw/zinc/28/99/96/911289996.db2.gz NTYBAYAFEFHUFV-LSDHHAIUSA-N 2 0 281.444 1.611 10 0 CDAERP C[NH+]1CCC(CC(=O)NCC2([NH2+]CCCF)CC2)CC1 ZINC001483774460 914941472 /nfs/dbraw/zinc/94/14/72/914941472.db2.gz WJZCFBUJVXONIH-UHFFFAOYSA-N 2 0 285.407 1.316 10 0 CDAERP C[C@@]1(C[NH2+]CCF)CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001484123795 915445901 /nfs/dbraw/zinc/44/59/01/915445901.db2.gz CRNKJCQWIBWJOM-INIZCTEOSA-N 2 0 299.434 1.660 10 0 CDAERP CCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)Cc2cnc[nH]2)C1 ZINC001484349187 915656002 /nfs/dbraw/zinc/65/60/02/915656002.db2.gz UNGVASBSJYXOOX-QWHCGFSZSA-N 2 0 278.400 1.579 10 0 CDAERP CCC1([NH2+]C[C@@H](C)O)CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001484820448 916191442 /nfs/dbraw/zinc/19/14/42/916191442.db2.gz SJMVWYOVANNEOQ-CQSZACIVSA-N 2 0 299.459 1.068 10 0 CDAERP C[C@@H](O)CCC[N@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001485068898 916454406 /nfs/dbraw/zinc/45/44/06/916454406.db2.gz JHUVISHUMRSSPA-HUUCEWRRSA-N 2 0 299.459 1.022 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001485078066 916477033 /nfs/dbraw/zinc/47/70/33/916477033.db2.gz RZQHDJNAQYDESU-UONOGXRCSA-N 2 0 269.433 1.659 10 0 CDAERP O=C(NC1CC(C[NH2+]C/C=C/Cl)C1)C12CC[NH+](CC1)C2 ZINC001485106993 916532252 /nfs/dbraw/zinc/53/22/52/916532252.db2.gz ASOQUJOWOVROFA-DAFODLJHSA-N 2 0 297.830 1.319 10 0 CDAERP CC(C)OCC[NH2+][C@H](C)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001485158243 916614603 /nfs/dbraw/zinc/61/46/03/916614603.db2.gz YDKLEWJKIWPLGM-KGLIPLIRSA-N 2 0 299.459 1.379 10 0 CDAERP CC(C)C[NH2+][C@H](C)[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001485230627 916686638 /nfs/dbraw/zinc/68/66/38/916686638.db2.gz WRGMJIBSVOLARX-OLZOCXBDSA-N 2 0 257.422 1.465 10 0 CDAERP CC(C)CCC[N@H+](C)[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001485372893 916925476 /nfs/dbraw/zinc/92/54/76/916925476.db2.gz FVUMBZQZNXEMSB-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP CC[NH+]1CC([C@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001485526724 917066745 /nfs/dbraw/zinc/06/67/45/917066745.db2.gz NLXZZPYVFZKHCR-UONOGXRCSA-N 2 0 281.444 1.707 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCF)CC1(C)C ZINC001485577267 917101377 /nfs/dbraw/zinc/10/13/77/917101377.db2.gz LITFFAKCHHZOKR-GFCCVEGCSA-N 2 0 273.396 1.124 10 0 CDAERP O=C(C[NH+]1CCCC1)NCC1[C@H]2C[N@H+](C/C=C\Cl)C[C@@H]12 ZINC001485627709 917145810 /nfs/dbraw/zinc/14/58/10/917145810.db2.gz OTGZMJDEMCTGLQ-BEJLUXAGSA-N 2 0 297.830 1.129 10 0 CDAERP CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001485706517 917187438 /nfs/dbraw/zinc/18/74/38/917187438.db2.gz IIUPBZVOLQNMNV-RBSFLKMASA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC1CCC1 ZINC001366475273 917504230 /nfs/dbraw/zinc/50/42/30/917504230.db2.gz NJVPAIBCGLORPY-HIFRSBDPSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H](CC[NH2+]CCF)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001272828789 919858890 /nfs/dbraw/zinc/85/88/90/919858890.db2.gz DGGJKGXHHUSIFT-DZGCQCFKSA-N 2 0 299.434 1.847 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccns1 ZINC001485956158 920595953 /nfs/dbraw/zinc/59/59/53/920595953.db2.gz UKPJTHIJAXNWKG-NWDGAFQWSA-N 2 0 296.440 1.031 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]CC[C@H]1CCCO1 ZINC001485962198 920632486 /nfs/dbraw/zinc/63/24/86/920632486.db2.gz WNQHZLDLTPIOCS-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)C1CC([NH2+]CCC2CC2)C1 ZINC001486481586 921059247 /nfs/dbraw/zinc/05/92/47/921059247.db2.gz ULSKAJQFHZXMCN-UHFFFAOYSA-N 2 0 281.444 1.707 10 0 CDAERP CC/C=C/CC[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001490955997 936835078 /nfs/dbraw/zinc/83/50/78/936835078.db2.gz SLPRTVXVPHFUBD-DIGCIXNNSA-N 2 0 279.428 1.675 10 0 CDAERP CC(C)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001491081079 936852163 /nfs/dbraw/zinc/85/21/63/936852163.db2.gz WTAJRJBSAGFIOG-BETUJISGSA-N 2 0 255.406 1.219 10 0 CDAERP CC(C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001491073494 936852184 /nfs/dbraw/zinc/85/21/84/936852184.db2.gz JSAWHYQMBDZNKK-FRRDWIJNSA-N 2 0 255.406 1.218 10 0 CDAERP CCCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001273176664 923800000 /nfs/dbraw/zinc/80/00/00/923800000.db2.gz XDRWDCIMFQLRFL-STQMWFEESA-N 2 0 255.406 1.223 10 0 CDAERP CC(C)C[NH2+]CC[C@@H](C)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001273182764 923885558 /nfs/dbraw/zinc/88/55/58/923885558.db2.gz DJXPJOPNKQCPKM-HUUCEWRRSA-N 2 0 299.459 1.095 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2C[NH2+]CCCF)C1 ZINC001491263440 936886477 /nfs/dbraw/zinc/88/64/77/936886477.db2.gz HZKOOTBSGHXBEB-CABCVRRESA-N 2 0 299.434 1.659 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC001141937533 936956181 /nfs/dbraw/zinc/95/61/81/936956181.db2.gz CPTCXTJPCXQAAW-AAEUAGOBSA-N 2 0 255.406 1.031 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001488651940 926637040 /nfs/dbraw/zinc/63/70/40/926637040.db2.gz CGZDKMVDHUPQBK-XHPSBEMXSA-N 2 0 281.444 1.827 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001488858906 926723704 /nfs/dbraw/zinc/72/37/04/926723704.db2.gz PYBWFIYHVKBOHB-AJNGGQMLSA-N 2 0 299.434 1.561 10 0 CDAERP CC1CC(C[NH2+][C@H]2CN(C(=O)CC[NH+](C)C)CC2(C)C)C1 ZINC001410971910 926837235 /nfs/dbraw/zinc/83/72/35/926837235.db2.gz FHCGUKADLUDDFB-NRXISQOPSA-N 2 0 295.471 1.811 10 0 CDAERP CC(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001437979411 926913518 /nfs/dbraw/zinc/91/35/18/926913518.db2.gz SKBWVRAONBCWRX-HZPDHXFCSA-N 2 0 295.471 1.907 10 0 CDAERP CC1=CC[N@H+](CCNC(=O)[C@@H](C)CC[NH+](C)C)CC1 ZINC001568458360 1169297414 /nfs/dbraw/zinc/29/74/14/1169297414.db2.gz QNWAPXAPARBQEK-AWEZNQCLSA-N 2 0 267.417 1.342 10 0 CDAERP C[NH+](C)CCCCC(=O)N[C@@H]1CCC[N@H+](CCCF)C1 ZINC001490454613 927192808 /nfs/dbraw/zinc/19/28/08/927192808.db2.gz KSLPODLVTMRFCS-CQSZACIVSA-N 2 0 287.423 1.659 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000854229514 928174373 /nfs/dbraw/zinc/17/43/73/928174373.db2.gz QFGZLIWHFSEWIH-TUAOUCFPSA-N 2 0 278.343 1.144 10 0 CDAERP CCC[NH2+]C/C=C\CNC(=O)C[N@H+](C)C1CCC1 ZINC001274088372 931164432 /nfs/dbraw/zinc/16/44/32/931164432.db2.gz GUCFHARLXQNWQP-PLNGDYQASA-N 2 0 253.390 1.143 10 0 CDAERP CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCC[C@H](C)O)C1)[NH+](C)C ZINC001274121641 931183694 /nfs/dbraw/zinc/18/36/94/931183694.db2.gz FWRLFSAKQIXOHO-ZNMIVQPWSA-N 2 0 299.459 1.068 10 0 CDAERP C[N@H+](CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CCF)C1CCC1 ZINC001320148075 931499809 /nfs/dbraw/zinc/49/98/09/931499809.db2.gz SUKAJILORGZETC-JSGCOSHPSA-N 2 0 285.407 1.315 10 0 CDAERP CCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001274741310 931564733 /nfs/dbraw/zinc/56/47/33/931564733.db2.gz MGBJSWNTWURHRE-STQMWFEESA-N 2 0 255.406 1.365 10 0 CDAERP CCOCC[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)C(C)C ZINC001275175011 931690059 /nfs/dbraw/zinc/69/00/59/931690059.db2.gz CZXWRPNCDCFFCR-OAHLLOKOSA-N 2 0 299.459 1.286 10 0 CDAERP CC[C@@H](C[NH+]1CCCC1)NC(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001411784225 932021682 /nfs/dbraw/zinc/02/16/82/932021682.db2.gz KXVCOBZLIUNEIC-KGLIPLIRSA-N 2 0 285.407 1.411 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH+](C)C(C)C)CC[N@@H+]1C ZINC001275834470 932080568 /nfs/dbraw/zinc/08/05/68/932080568.db2.gz GLVFMQOQDJQSIJ-MELADBBJSA-N 2 0 269.433 1.562 10 0 CDAERP CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[C@@H]2[NH3+])C1 ZINC001326369185 932211265 /nfs/dbraw/zinc/21/12/65/932211265.db2.gz FBOWDWOSZOHCHR-RDBSUJKOSA-N 2 0 267.417 1.352 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001412481753 932448932 /nfs/dbraw/zinc/44/89/32/932448932.db2.gz OUSBCQPXDNHVTP-OAGGEKHMSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N(C)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001412496998 932456698 /nfs/dbraw/zinc/45/66/98/932456698.db2.gz CZPWFFLDEXRDOQ-HOTGVXAUSA-N 2 0 293.455 1.659 10 0 CDAERP Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)CC[NH+](C)C)cc1 ZINC001495731408 932722580 /nfs/dbraw/zinc/72/25/80/932722580.db2.gz QQPUWAASHPIAAM-HNNXBMFYSA-N 2 0 291.439 1.789 10 0 CDAERP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000925834066 932944361 /nfs/dbraw/zinc/94/43/61/932944361.db2.gz VVTYUOLOXFNOER-POQQGIQPSA-N 2 0 254.374 1.040 10 0 CDAERP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925851627 932945700 /nfs/dbraw/zinc/94/57/00/932945700.db2.gz MQIYMKZCTLZTFO-ZYHUDNBSSA-N 2 0 292.383 1.054 10 0 CDAERP CCCCC[N@H+](C)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001329592994 940594699 /nfs/dbraw/zinc/59/46/99/940594699.db2.gz WPSNGPBYPQSRLJ-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)C1 ZINC001649868159 1169448715 /nfs/dbraw/zinc/44/87/15/1169448715.db2.gz XUIKSXXARVMMII-XGUBFFRZSA-N 2 0 296.459 1.499 10 0 CDAERP CCO[C@@H](C[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1)C1CC1 ZINC001473844242 970864135 /nfs/dbraw/zinc/86/41/35/970864135.db2.gz XZMIODLPAITGIA-ILXRZTDVSA-N 2 0 252.402 1.685 10 0 CDAERP CC(C)[NH2+]CCC[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001277355361 942417827 /nfs/dbraw/zinc/41/78/27/942417827.db2.gz GMHIYUBSPMTPGY-ZDUSSCGKSA-N 2 0 255.406 1.365 10 0 CDAERP O=C(CC[NH+]1CCCCC1)NCC1([NH2+]CCCF)CCC1 ZINC001280545749 942459435 /nfs/dbraw/zinc/45/94/35/942459435.db2.gz RYSKLHLEFUFVHL-UHFFFAOYSA-N 2 0 299.434 1.851 10 0 CDAERP CC(C)C[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001281990808 942641173 /nfs/dbraw/zinc/64/11/73/942641173.db2.gz OQRPHGHTIUADJH-RUXDESIVSA-N 2 0 267.417 1.221 10 0 CDAERP CC[C@H](C(=O)NC1CC(C[NH2+]CCCF)C1)[NH+](C)C ZINC001282066476 942653582 /nfs/dbraw/zinc/65/35/82/942653582.db2.gz LDERKXWNAKHYJG-WXRRBKDZSA-N 2 0 273.396 1.171 10 0 CDAERP CCC[NH2+][C@H](C)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001282182843 942674046 /nfs/dbraw/zinc/67/40/46/942674046.db2.gz CHXUZBYGCZLAOO-NEPJUHHUSA-N 2 0 255.406 1.221 10 0 CDAERP CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001282241415 942682820 /nfs/dbraw/zinc/68/28/20/942682820.db2.gz LBVVIQNQAUBFDJ-UONOGXRCSA-N 2 0 269.433 1.755 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](C(C)C)C[C@H]21)[NH+](C)C ZINC001282888872 942766162 /nfs/dbraw/zinc/76/61/62/942766162.db2.gz MWVRIHMWYFEGMG-YIYPIFLZSA-N 2 0 267.417 1.029 10 0 CDAERP CC(C)CCC[NH2+][C@@H]1CCN(C(=O)Cc2cnc[nH]2)[C@H]1C ZINC001283913452 943023998 /nfs/dbraw/zinc/02/39/98/943023998.db2.gz MNXKYGVOECPSGE-DZGCQCFKSA-N 2 0 292.427 1.967 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH+]2CC[C@@H](C)C2)C1 ZINC001362171536 970975301 /nfs/dbraw/zinc/97/53/01/970975301.db2.gz GNBLHRDOEJBPLL-HUUCEWRRSA-N 2 0 281.444 1.565 10 0 CDAERP CCOCCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001277825453 943716557 /nfs/dbraw/zinc/71/65/57/943716557.db2.gz AZZSMCKZNXSIDD-RRFJBIMHSA-N 2 0 299.459 1.190 10 0 CDAERP C[N@@H+]1CCCC12CCN(C(=O)CC[NH+]1CC[C@H](F)C1)CC2 ZINC001362226299 971040736 /nfs/dbraw/zinc/04/07/36/971040736.db2.gz JMZPIDMGDPZTBP-AWEZNQCLSA-N 2 0 297.418 1.507 10 0 CDAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)CC[NH+]3CC[C@H](F)C3)CC[C@@H]21 ZINC001362230495 971044368 /nfs/dbraw/zinc/04/43/68/971044368.db2.gz UJUZLDPXMZZKGH-ILXRZTDVSA-N 2 0 297.418 1.363 10 0 CDAERP CC(C)C[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001265380217 944366626 /nfs/dbraw/zinc/36/66/26/944366626.db2.gz KLJFUEQSVQZUCG-UONOGXRCSA-N 2 0 267.417 1.079 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001265566150 944431787 /nfs/dbraw/zinc/43/17/87/944431787.db2.gz BNOAQQHMEZJYFP-ZNMIVQPWSA-N 2 0 283.460 2.000 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](C[NH2+]CCF)C2)C1 ZINC001265624249 944450629 /nfs/dbraw/zinc/45/06/29/944450629.db2.gz OLXVEECBJTZRAK-ZIAGYGMSSA-N 2 0 285.407 1.126 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CCC(C)(C)C ZINC001265818972 944522512 /nfs/dbraw/zinc/52/25/12/944522512.db2.gz WIZCBGXVNYYPAA-GFCCVEGCSA-N 2 0 257.422 1.469 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001277997537 944539105 /nfs/dbraw/zinc/53/91/05/944539105.db2.gz NAGSQBLXCOIJPN-HNNXBMFYSA-N 2 0 279.428 1.629 10 0 CDAERP C[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[NH2+]CCCF ZINC001265869919 944549550 /nfs/dbraw/zinc/54/95/50/944549550.db2.gz FRGBVNHTFPQOQI-CYBMUJFWSA-N 2 0 295.402 1.816 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001278017956 944592300 /nfs/dbraw/zinc/59/23/00/944592300.db2.gz RTMXJVKUWGUOMH-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCCNC(=O)C[NH+]1CCCC1 ZINC001265974346 944608318 /nfs/dbraw/zinc/60/83/18/944608318.db2.gz JOAQHOFSIZCMTC-ZDUSSCGKSA-N 2 0 273.396 1.268 10 0 CDAERP CC[C@@H](C)C[NH2+]C/C=C/CNC(=O)C1([NH+](C)C)CCC1 ZINC001568862578 1169523876 /nfs/dbraw/zinc/52/38/76/1169523876.db2.gz LGZUNNKYMXPYRG-PSKZRQQASA-N 2 0 281.444 1.779 10 0 CDAERP C[C@@H](NC(=O)[C@@H](C)CC[NH+](C)C)C(C)(C)C[NH+](C)C ZINC001362314668 971148337 /nfs/dbraw/zinc/14/83/37/971148337.db2.gz ROBPQGXKXOBBDC-QWHCGFSZSA-N 2 0 271.449 1.667 10 0 CDAERP C[C@H]1CCc2nc(C[NH2+]CCOCCC[NH3+])sc2C1 ZINC001261835396 946294703 /nfs/dbraw/zinc/29/47/03/946294703.db2.gz ULMLLZVNZNNYFJ-NSHDSACASA-N 2 0 283.441 1.723 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001479340337 971303171 /nfs/dbraw/zinc/30/31/71/971303171.db2.gz GLAUHBAMXPVVBO-SYQHCUMBSA-N 2 0 285.407 1.171 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001479790368 971421211 /nfs/dbraw/zinc/42/12/11/971421211.db2.gz KVIANVKBUOZGSI-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)CC[NH2+][C@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001480044367 971551745 /nfs/dbraw/zinc/55/17/45/971551745.db2.gz PHTTTYSEHAEPEK-MRXNPFEDSA-N 2 0 295.471 1.859 10 0 CDAERP CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001278513249 949401177 /nfs/dbraw/zinc/40/11/77/949401177.db2.gz YRQUFLWDJYPKTN-HIFRSBDPSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC[C@H](C)F)C1 ZINC001480139353 971598312 /nfs/dbraw/zinc/59/83/12/971598312.db2.gz SHQBVRBNOXBPSQ-AJNGGQMLSA-N 2 0 299.434 1.844 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC2)C1 ZINC001480237489 971641810 /nfs/dbraw/zinc/64/18/10/971641810.db2.gz ARFQEUYCKLDKBU-OKILXGFUSA-N 2 0 267.417 1.364 10 0 CDAERP CCCC[N@@H+]1CCC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001480270213 971654705 /nfs/dbraw/zinc/65/47/05/971654705.db2.gz WJUHSQVVEVLCKI-OAHLLOKOSA-N 2 0 281.444 1.711 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCCC[C@@H]2C[NH2+]CCCF)C1 ZINC001480364902 971690166 /nfs/dbraw/zinc/69/01/66/971690166.db2.gz JBKRCKOPHQBLAV-LSDHHAIUSA-N 2 0 299.434 1.659 10 0 CDAERP O=C(CCC[NH+]1CCCC1)N1CC[C@@H](C[NH2+]CCCF)C1 ZINC001480680455 971836166 /nfs/dbraw/zinc/83/61/66/971836166.db2.gz MBAABMBPEKYWOE-HNNXBMFYSA-N 2 0 299.434 1.660 10 0 CDAERP CN1CC[NH+](CC2(C)CC[NH+](C[C@@H](O)C3CC3)CC2)CC1 ZINC001363804934 953820570 /nfs/dbraw/zinc/82/05/70/953820570.db2.gz PYVILUCRENCTLU-MRXNPFEDSA-N 2 0 295.471 1.107 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)C1([NH+](C)C)CCCC1 ZINC001363851577 953916309 /nfs/dbraw/zinc/91/63/09/953916309.db2.gz WMRRIPBMLGHTNW-AWEZNQCLSA-N 2 0 283.460 1.953 10 0 CDAERP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[C@H]1[NH3+])C2 ZINC001326908459 954615518 /nfs/dbraw/zinc/61/55/18/954615518.db2.gz XEDJHNMSDCGULU-XPCVCDNBSA-N 2 0 265.401 1.091 10 0 CDAERP C[N@@H+]1C[C@@]23CN(C[C@@H]4CCC(=O)O4)C[C@]2(C1)CCCC3 ZINC001364557992 954800746 /nfs/dbraw/zinc/80/07/46/954800746.db2.gz MFVZETWGNNBEII-CWRNSKLLSA-N 2 0 278.396 1.500 10 0 CDAERP CCN1C[C@H](C)[N@H+](C[C@@H](C)CN2CCOCC2)C[C@H]1C ZINC001364686172 955026684 /nfs/dbraw/zinc/02/66/84/955026684.db2.gz UBLQKUPJHDAHJI-XHSDSOJGSA-N 2 0 283.460 1.369 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NC(C)(C)CCC[NH+](C)C ZINC001363299930 972065400 /nfs/dbraw/zinc/06/54/00/972065400.db2.gz RHHKPVYKIMEPRH-CYBMUJFWSA-N 2 0 271.449 1.811 10 0 CDAERP CN(CC[NH2+]CC1CCCC1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001493551503 972080649 /nfs/dbraw/zinc/08/06/49/972080649.db2.gz ZRWFRMKRYCARED-MRXNPFEDSA-N 2 0 293.455 1.566 10 0 CDAERP CC(C)C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001569201875 1169719746 /nfs/dbraw/zinc/71/97/46/1169719746.db2.gz ODXZOTYEKQLMAC-OAHLLOKOSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H]([NH2+]CC1CCC1)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001421520324 955388631 /nfs/dbraw/zinc/38/86/31/955388631.db2.gz GIOGKZSEFVEANG-HIFRSBDPSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CC2CC2)C1 ZINC001421556479 955408060 /nfs/dbraw/zinc/40/80/60/955408060.db2.gz ZHQZKZRXSPUGJS-UKRRQHHQSA-N 2 0 281.444 1.563 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@@H](C[NH2+]CC2CC2)C1 ZINC001491808430 955475045 /nfs/dbraw/zinc/47/50/45/955475045.db2.gz KIBMTRMQIMMIQA-LSDHHAIUSA-N 2 0 299.434 1.514 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)C[NH2+]CC1CCCC1)[NH+](C)C ZINC001421716694 955498453 /nfs/dbraw/zinc/49/84/53/955498453.db2.gz IWNIZUNODVGECW-DZGCQCFKSA-N 2 0 283.460 1.859 10 0 CDAERP C[N@@H+]1C[C@@]2(C)CN(C(=O)CC[NH+]3CC[C@@H](F)C3)C[C@@]2(C)C1 ZINC001363347488 972104663 /nfs/dbraw/zinc/10/46/63/972104663.db2.gz QVFNNIWUKDJAQX-BMFZPTHFSA-N 2 0 297.418 1.221 10 0 CDAERP COCCC[NH2+]CCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001493761825 972110731 /nfs/dbraw/zinc/11/07/31/972110731.db2.gz NTHJCNPPOGFRJI-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)[NH2+][C@H](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001492067553 955603341 /nfs/dbraw/zinc/60/33/41/955603341.db2.gz JFGIZNHJQRAVDD-CYBMUJFWSA-N 2 0 269.433 1.754 10 0 CDAERP CC(C)[C@H](C(=O)N(C)CC[NH2+]CCC(F)(F)F)[NH+](C)C ZINC001493769845 972112057 /nfs/dbraw/zinc/11/20/57/972112057.db2.gz TXHKFIAHGBKBST-LLVKDONJSA-N 2 0 297.365 1.573 10 0 CDAERP C[C@H](C[NH2+]CC1CCC1)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001421898763 955639651 /nfs/dbraw/zinc/63/96/51/955639651.db2.gz FSAFNDRMPCQXIV-CJNGLKHVSA-N 2 0 293.455 1.565 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)NC(=O)C[NH+](C)[C@@H]1CCC[C@H]1O ZINC001363382601 972127580 /nfs/dbraw/zinc/12/75/80/972127580.db2.gz IUDAHOZHGDROOC-RRFJBIMHSA-N 2 0 299.459 1.068 10 0 CDAERP C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]C/C=C\Cl ZINC001422169821 955808512 /nfs/dbraw/zinc/80/85/12/955808512.db2.gz ORISZMSSFRZPRK-QGILPKKRSA-N 2 0 273.808 1.175 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001422232937 955870248 /nfs/dbraw/zinc/87/02/48/955870248.db2.gz GIBHXWYEYWIHBR-CYBMUJFWSA-N 2 0 273.396 1.221 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)CCCCCF ZINC001329613031 956021847 /nfs/dbraw/zinc/02/18/47/956021847.db2.gz LCNZLHKJXBUNDH-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N(C)C[C@H]2CCC[NH+]2C)C1 ZINC001363418169 972152615 /nfs/dbraw/zinc/15/26/15/972152615.db2.gz FMENAJJRBLLJFE-LSDHHAIUSA-N 2 0 281.444 1.659 10 0 CDAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)CCC(C)(C)C ZINC001422596688 956180840 /nfs/dbraw/zinc/18/08/40/956180840.db2.gz JMANZTVAIQATGS-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H](C[NH2+]Cc1ccsc1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001422617518 956195227 /nfs/dbraw/zinc/19/52/27/956195227.db2.gz SHFWRDLSFYFKFR-DGCLKSJQSA-N 2 0 281.425 1.294 10 0 CDAERP CCC[NH+]1CC([C@H](C)NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001422757137 956308243 /nfs/dbraw/zinc/30/82/43/956308243.db2.gz ZJIDBVGMLXQNKM-ZFWWWQNUSA-N 2 0 283.460 1.953 10 0 CDAERP CN(C[C@@H]1CC[N@@H+]1CC1CCCC1)C(=O)C[NH+]1CCCC1 ZINC001365798095 956371244 /nfs/dbraw/zinc/37/12/44/956371244.db2.gz ADHIJXRIBFTTSM-INIZCTEOSA-N 2 0 293.455 1.805 10 0 CDAERP CC(C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@H+](C)C(C)C ZINC001365864433 956414343 /nfs/dbraw/zinc/41/43/43/956414343.db2.gz SJDKJVKBGGIRGC-CABCVRRESA-N 2 0 283.460 1.952 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001422906244 956439772 /nfs/dbraw/zinc/43/97/72/956439772.db2.gz GSFPYRINWHLRLI-QKPAOTATSA-N 2 0 295.471 1.859 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001422906247 956440256 /nfs/dbraw/zinc/44/02/56/956440256.db2.gz GSFPYRINWHLRLI-VGWMRTNUSA-N 2 0 295.471 1.859 10 0 CDAERP CCC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1CCC)C1CC1 ZINC001366049207 956532320 /nfs/dbraw/zinc/53/23/20/956532320.db2.gz XYYACLJUBLPFTH-HUUCEWRRSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]C/C=C\Cl)C1)[NH+](C)C ZINC001366166928 956616512 /nfs/dbraw/zinc/61/65/12/956616512.db2.gz FPZGLJYJVZODHM-PGJFENIBSA-N 2 0 273.808 1.316 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1c(C)noc1C)[NH+](C)C ZINC001366290141 956715365 /nfs/dbraw/zinc/71/53/65/956715365.db2.gz OCTAMYWEHFIQDG-QMTHXVAHSA-N 2 0 296.415 1.226 10 0 CDAERP CC(C)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001366301417 956721755 /nfs/dbraw/zinc/72/17/55/956721755.db2.gz LECPBRJPKHFUDB-CABCVRRESA-N 2 0 283.460 1.857 10 0 CDAERP CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]21 ZINC001423354992 956736753 /nfs/dbraw/zinc/73/67/53/956736753.db2.gz GKURJTZWUKQCHL-RRFJBIMHSA-N 2 0 293.455 1.565 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CC[C@](C)(NC(=O)CC[NH+](C)CC)C1 ZINC001423586722 956880430 /nfs/dbraw/zinc/88/04/30/956880430.db2.gz NMURNCMOIYJFBR-HIFRSBDPSA-N 2 0 287.423 1.657 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C1CC[NH+](C(C)C)CC1)[NH+](C)C ZINC001423664759 956928637 /nfs/dbraw/zinc/92/86/37/956928637.db2.gz UXHPZRMZTAXXRR-DZGCQCFKSA-N 2 0 283.460 1.952 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N(C)C1CC([NH2+]C(C)C)C1 ZINC001423688663 956941444 /nfs/dbraw/zinc/94/14/44/956941444.db2.gz RKOKWQSNCGJLRB-JXQTWKCFSA-N 2 0 287.423 1.654 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H]1C ZINC001316778097 957011178 /nfs/dbraw/zinc/01/11/78/957011178.db2.gz GACFUZFKTLFUCP-ILXRZTDVSA-N 2 0 297.443 1.086 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCF)C2 ZINC001423925460 957041310 /nfs/dbraw/zinc/04/13/10/957041310.db2.gz RZLTZUFSWRZKIT-ZNMIVQPWSA-N 2 0 299.434 1.657 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001366673909 957102966 /nfs/dbraw/zinc/10/29/66/957102966.db2.gz CRHMGNOSSVABOY-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001316994430 957191760 /nfs/dbraw/zinc/19/17/60/957191760.db2.gz IHTTYVBAYJQVJM-KGLIPLIRSA-N 2 0 267.417 1.317 10 0 CDAERP CN(CCC[N@H+](C)CCC1CC1)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001424324177 957203525 /nfs/dbraw/zinc/20/35/25/957203525.db2.gz BYKHDMDSCJQLQX-MRXNPFEDSA-N 2 0 295.471 1.909 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC(CC)([NH2+]C[C@@H](C)O)CC1 ZINC001424381940 957221547 /nfs/dbraw/zinc/22/15/47/957221547.db2.gz MSUJIDNUAJBDOI-CQSZACIVSA-N 2 0 299.459 1.070 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001317057770 957234001 /nfs/dbraw/zinc/23/40/01/957234001.db2.gz KMINWMZAQZYYTQ-LSDHHAIUSA-N 2 0 279.428 1.319 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001317193467 957333911 /nfs/dbraw/zinc/33/39/11/957333911.db2.gz LVVLCTRKFMHJOQ-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP CCC[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001317193769 957337076 /nfs/dbraw/zinc/33/70/76/957337076.db2.gz UYDHMRYTNOTWRW-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]1C ZINC001331944606 957354006 /nfs/dbraw/zinc/35/40/06/957354006.db2.gz RZVJYDQFKZLTGM-KGLIPLIRSA-N 2 0 269.433 1.706 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](C[C@H](F)CC)C1 ZINC001367039362 957357848 /nfs/dbraw/zinc/35/78/48/957357848.db2.gz OLXDTCWTWHKJRJ-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001367061823 957377852 /nfs/dbraw/zinc/37/78/52/957377852.db2.gz WJPXTKOMSARDBH-LSDHHAIUSA-N 2 0 283.460 1.905 10 0 CDAERP COC[C@@H](C)[NH2+]CC(C)(C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001424902398 957402560 /nfs/dbraw/zinc/40/25/60/957402560.db2.gz UHENWTASHLLULZ-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP CCOCC[NH2+][C@H]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001317363125 957437316 /nfs/dbraw/zinc/43/73/16/957437316.db2.gz JVWDQYLLVPVOTN-GJZGRUSLSA-N 2 0 297.443 1.136 10 0 CDAERP CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001425187096 957482953 /nfs/dbraw/zinc/48/29/53/957482953.db2.gz FBWQAZLFXIPLMT-HUUCEWRRSA-N 2 0 281.444 1.709 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CC)CC1(C)C ZINC001425284710 957505869 /nfs/dbraw/zinc/50/58/69/957505869.db2.gz KJUCGMYUJGTKSW-CHWSQXEVSA-N 2 0 287.423 1.513 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cccnc1 ZINC001367138280 957699428 /nfs/dbraw/zinc/69/94/28/957699428.db2.gz HTDPCKZVTZPKQW-HUUCEWRRSA-N 2 0 290.411 1.018 10 0 CDAERP CC/C=C/CC[NH+]1CC(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001318128097 957936949 /nfs/dbraw/zinc/93/69/49/957936949.db2.gz HHZASZVJLBAENH-SNAWJCMRSA-N 2 0 293.455 1.875 10 0 CDAERP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]CCC1CC1 ZINC001367433399 958013675 /nfs/dbraw/zinc/01/36/75/958013675.db2.gz PSHIMZAWFFWBSQ-DZGCQCFKSA-N 2 0 281.444 1.565 10 0 CDAERP CN(CC[N@H+](C)CCC(C)(C)C)C(=O)Cc1cnc[nH]1 ZINC001367531261 958107882 /nfs/dbraw/zinc/10/78/82/958107882.db2.gz CAZQSPWWBWQJHE-UHFFFAOYSA-N 2 0 280.416 1.779 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CC(C)C ZINC001367801867 958379286 /nfs/dbraw/zinc/37/92/86/958379286.db2.gz HKZZXSKPGXKSNW-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CC1(C)C[C@@H](NCCC[NH+]2CCCC2)C[C@@H]([NH3+])C1 ZINC001333596789 958443462 /nfs/dbraw/zinc/44/34/62/958443462.db2.gz MTSXEICBJVSLKQ-KGLIPLIRSA-N 2 0 253.434 1.968 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@H]1CC[N@@H+]1CC1CCC1 ZINC001367943326 958502640 /nfs/dbraw/zinc/50/26/40/958502640.db2.gz FPHDRHGIYVSHMN-HUUCEWRRSA-N 2 0 299.434 1.657 10 0 CDAERP C[NH+](C)CCCC(=O)NC[C@H]1CC[N@@H+]1CCC(C)(C)C ZINC001367961142 958521329 /nfs/dbraw/zinc/52/13/29/958521329.db2.gz OIKICXWKYGLQNR-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP COC[C@@H](C)[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001368004368 958573125 /nfs/dbraw/zinc/57/31/25/958573125.db2.gz UPZKREGLYBYVTP-ZIAGYGMSSA-N 2 0 297.443 1.134 10 0 CDAERP C[C@H](C[NH2+]CCC1CC1)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001319460371 958576874 /nfs/dbraw/zinc/57/68/74/958576874.db2.gz KWENBNBKVLOGEF-CZUORRHYSA-N 2 0 293.455 1.565 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001368043312 958600607 /nfs/dbraw/zinc/60/06/07/958600607.db2.gz OKRSUVDKSDYGJV-GFCCVEGCSA-N 2 0 273.396 1.313 10 0 CDAERP CN(C[C@H]1CC[N@@H+]1CCCF)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001368431587 958836536 /nfs/dbraw/zinc/83/65/36/958836536.db2.gz KBPNQJSSJGFEIA-UONOGXRCSA-N 2 0 285.407 1.221 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CC[NH+](C)C ZINC001320165355 958983033 /nfs/dbraw/zinc/98/30/33/958983033.db2.gz NTHUPSMDEHPHNE-STQMWFEESA-N 2 0 255.406 1.221 10 0 CDAERP CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001368622935 959005996 /nfs/dbraw/zinc/00/59/96/959005996.db2.gz MPMKZZXYILHOIW-GDBMZVCRSA-N 2 0 299.459 1.070 10 0 CDAERP C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CC1CCC1 ZINC001368695679 959051649 /nfs/dbraw/zinc/05/16/49/959051649.db2.gz PYBDLGMVGPXVIF-DZGCQCFKSA-N 2 0 281.444 1.707 10 0 CDAERP CCC[N@H+](C)CC(=O)NC1CC(C[NH2+]CC2CCC2)C1 ZINC001368821408 959154924 /nfs/dbraw/zinc/15/49/24/959154924.db2.gz HOEDWUKJROYTLC-UHFFFAOYSA-N 2 0 281.444 1.613 10 0 CDAERP CC[NH2+]CC[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001320477422 959193869 /nfs/dbraw/zinc/19/38/69/959193869.db2.gz WMDOBYFMKGLBDQ-LBPRGKRZSA-N 2 0 253.390 1.119 10 0 CDAERP CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001320643088 959289863 /nfs/dbraw/zinc/28/98/63/959289863.db2.gz CPCFRQTXLIQKAM-OLZOCXBDSA-N 2 0 255.406 1.365 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CC1 ZINC001369081547 959447847 /nfs/dbraw/zinc/44/78/47/959447847.db2.gz YCFQIFFYXNUKJQ-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001369178911 959507712 /nfs/dbraw/zinc/50/77/12/959507712.db2.gz GJGPMWRZJJUHAI-KBUPBQIOSA-N 2 0 283.460 1.857 10 0 CDAERP O=C(NC/C=C\C[NH2+]CCF)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001321089907 959585773 /nfs/dbraw/zinc/58/57/73/959585773.db2.gz COQFOHFJQVYDHI-ABCZVMIZSA-N 2 0 297.418 1.625 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001369267432 959594545 /nfs/dbraw/zinc/59/45/45/959594545.db2.gz VLFDHMGYVKGPBI-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](C(=O)NC/C=C\C[NH2+]CC1CCCC1)[NH+](C)C ZINC001321113605 959601005 /nfs/dbraw/zinc/60/10/05/959601005.db2.gz ZLICANFSTSKTKH-ZPIQOJFGSA-N 2 0 281.444 1.779 10 0 CDAERP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001335191118 959625979 /nfs/dbraw/zinc/62/59/79/959625979.db2.gz ZISQQAGMBRUWSA-ZNMIVQPWSA-N 2 0 264.413 1.877 10 0 CDAERP C[C@H]1[C@H]([NH2+]CCC(F)(F)F)CCN1C(=O)CC[NH+](C)C ZINC001369399050 959649971 /nfs/dbraw/zinc/64/99/71/959649971.db2.gz WBFDXLOOQGXMQY-WDEREUQCSA-N 2 0 295.349 1.470 10 0 CDAERP C[NH+](C)CC1(C(=O)NC/C=C\C[NH2+]CC2CCC2)CC1 ZINC001321212252 959657964 /nfs/dbraw/zinc/65/79/64/959657964.db2.gz WTELPPPDMVGQAW-ARJAWSKDSA-N 2 0 279.428 1.390 10 0 CDAERP CC[C@@H](C(=O)N[C@]12CCC[C@@H]1[N@@H+](C(C)C)CC2)[NH+](C)C ZINC001369418060 959676011 /nfs/dbraw/zinc/67/60/11/959676011.db2.gz VTSKTKHNMZQZEQ-DZKIICNBSA-N 2 0 281.444 1.848 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H](C)C1CC[NH+](C(C)C)CC1 ZINC001369569059 959767955 /nfs/dbraw/zinc/76/79/55/959767955.db2.gz NMSGQYISOMHSHW-AWEZNQCLSA-N 2 0 283.460 1.953 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+]C/C=C/Cl ZINC001321694297 959909356 /nfs/dbraw/zinc/90/93/56/959909356.db2.gz ZBWMLOWEXBFSQR-OKPNEXGHSA-N 2 0 261.797 1.175 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]CCF)[NH+]1CCCCC1 ZINC001321755830 959934000 /nfs/dbraw/zinc/93/40/00/959934000.db2.gz GTAICGIJNOJHAF-KGLIPLIRSA-N 2 0 287.423 1.561 10 0 CDAERP CC(C)[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001321842320 959979266 /nfs/dbraw/zinc/97/92/66/959979266.db2.gz NRVWBQJFNJQZHP-STQMWFEESA-N 2 0 255.406 1.362 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001370502491 960132519 /nfs/dbraw/zinc/13/25/19/960132519.db2.gz UYXVRHNEQIBRQW-ZDEQEGDKSA-N 2 0 271.380 1.066 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001370738176 960191095 /nfs/dbraw/zinc/19/10/95/960191095.db2.gz XAAPCHFKAIBKRQ-APIJFGDWSA-N 2 0 299.434 1.846 10 0 CDAERP CC[C@@H](C(=O)NC[C@@H](C)[NH2+]CC1CC(C)(C)C1)[NH+](C)C ZINC001371363817 972490858 /nfs/dbraw/zinc/49/08/58/972490858.db2.gz MLMVVMSRXWZWFV-OCCSQVGLSA-N 2 0 283.460 1.857 10 0 CDAERP CN(CCC[NH2+]C[C@@H]1CC(C)(C)CO1)C(=O)CC[NH+](C)C ZINC001322677341 960294626 /nfs/dbraw/zinc/29/46/26/960294626.db2.gz AGHFVMQTCSMNTN-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]CC1CCC1)C1CC1 ZINC001323068727 960430094 /nfs/dbraw/zinc/43/00/94/960430094.db2.gz WPONAKIKEQKLML-CQSZACIVSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001495480216 972516438 /nfs/dbraw/zinc/51/64/38/972516438.db2.gz VINFKEUFKXEPET-RBSFLKMASA-N 2 0 299.434 1.847 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCCCCF ZINC001323277665 960607051 /nfs/dbraw/zinc/60/70/51/960607051.db2.gz MGCRJPMWEWLSLF-UONOGXRCSA-N 2 0 285.407 1.411 10 0 CDAERP O=C(NCC1([NH2+]CCCF)CC1)[C@H]1CCn2ccnc2C1 ZINC001323480423 960763903 /nfs/dbraw/zinc/76/39/03/960763903.db2.gz UCSRCWRFYLMATG-LBPRGKRZSA-N 2 0 294.374 1.044 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001419452308 961720521 /nfs/dbraw/zinc/72/05/21/961720521.db2.gz UJFBNGLECIJTLL-LSDHHAIUSA-N 2 0 281.444 1.659 10 0 CDAERP CC(C)OCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H]1C ZINC001436472051 962270468 /nfs/dbraw/zinc/27/04/68/962270468.db2.gz OCFUFGHRQQPQMF-ILXRZTDVSA-N 2 0 297.443 1.085 10 0 CDAERP Cc1ccc(C[NH2+][C@@H](C)CNC(=O)CC[NH+](C)C)cc1F ZINC001437204299 962734971 /nfs/dbraw/zinc/73/49/71/962734971.db2.gz UJMNMFXUUSEGMD-ZDUSSCGKSA-N 2 0 295.402 1.680 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1cc(C)ns1 ZINC001437252452 962770994 /nfs/dbraw/zinc/77/09/94/962770994.db2.gz WMHUMJNLWMOHLA-GFCCVEGCSA-N 2 0 298.456 1.388 10 0 CDAERP Cc1ncc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)o1 ZINC001420435598 962904973 /nfs/dbraw/zinc/90/49/73/962904973.db2.gz PVBHKZFJCIIULI-SMDDNHRTSA-N 2 0 294.399 1.062 10 0 CDAERP CC(C)C[N@H+](C)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001437487619 962948025 /nfs/dbraw/zinc/94/80/25/962948025.db2.gz WORXHZNZEHBRRB-GJZGRUSLSA-N 2 0 281.444 1.707 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CC[NH+](CCCF)C1 ZINC001437709771 963138232 /nfs/dbraw/zinc/13/82/32/963138232.db2.gz ASBWOBLLDCRRLW-GJZGRUSLSA-N 2 0 299.434 1.659 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+](CC[C@@H](C)F)C1 ZINC001437728714 963146158 /nfs/dbraw/zinc/14/61/58/963146158.db2.gz YQHQUHIGHNLINQ-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001437939231 963249766 /nfs/dbraw/zinc/24/97/66/963249766.db2.gz TZPOMRLLWOHXCD-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)CCC[NH+]1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001438133639 963337472 /nfs/dbraw/zinc/33/74/72/963337472.db2.gz IPOUHIGRQZDROS-UHFFFAOYSA-N 2 0 295.471 1.812 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001420966669 963389594 /nfs/dbraw/zinc/38/95/94/963389594.db2.gz USZLUBBNCMHIOZ-ILXRZTDVSA-N 2 0 299.434 1.799 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N[C@]2(C)CC[NH+](CCC3CC3)C2)C1 ZINC001421224835 963509032 /nfs/dbraw/zinc/50/90/32/963509032.db2.gz RGOZNDDUYQZKPZ-NVXWUHKLSA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)[NH2+]CC[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001438762473 963544305 /nfs/dbraw/zinc/54/43/05/963544305.db2.gz ICKISNGLGISMIR-HNNXBMFYSA-N 2 0 293.455 1.851 10 0 CDAERP CC(C)[C@H](C(=O)NC[C@@H]1CC[N@@H+]1CC1CC1)[NH+]1CCCC1 ZINC001439570511 963804948 /nfs/dbraw/zinc/80/49/48/963804948.db2.gz JFIQPCSPSOKHJR-JKSUJKDBSA-N 2 0 293.455 1.707 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@](C)(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001439874328 963887511 /nfs/dbraw/zinc/88/75/11/963887511.db2.gz XAGXVXNCJKWRBE-GDBMZVCRSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)[NH+](C)CC(=O)N1CCCC[C@H]1C[N@@H+](C)C[C@H](C)O ZINC001440522750 964101366 /nfs/dbraw/zinc/10/13/66/964101366.db2.gz ZQXDFQKWRGZUCR-GJZGRUSLSA-N 2 0 299.459 1.020 10 0 CDAERP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH+](C)CCC1CC1 ZINC001441009338 964323676 /nfs/dbraw/zinc/32/36/76/964323676.db2.gz XDCXNPAUUPMWOC-UKRRQHHQSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)CC[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001441043327 964341743 /nfs/dbraw/zinc/34/17/43/964341743.db2.gz IXYBGGUMZZKNSK-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[C@@H](CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC1CC1 ZINC001441091896 964359835 /nfs/dbraw/zinc/35/98/35/964359835.db2.gz OYBAFGYHMFPRSP-JKSUJKDBSA-N 2 0 295.471 1.811 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC[NH+]2CCCCC2)C1 ZINC001441351758 964472725 /nfs/dbraw/zinc/47/27/25/964472725.db2.gz ZQRUXQNWTOUOHQ-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]C(C)C ZINC001441547912 964584014 /nfs/dbraw/zinc/58/40/14/964584014.db2.gz PTFGGXBKTVQRSG-LSDHHAIUSA-N 2 0 283.460 1.952 10 0 CDAERP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]CC[C@H](C)F ZINC001441976836 964816689 /nfs/dbraw/zinc/81/66/89/964816689.db2.gz AJIMZCZJUUDAQR-UONOGXRCSA-N 2 0 287.423 1.561 10 0 CDAERP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccsc1 ZINC001442014773 964832613 /nfs/dbraw/zinc/83/26/13/964832613.db2.gz WAYHVJYUHNDKHG-CHWSQXEVSA-N 2 0 295.452 1.684 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001442484770 965086514 /nfs/dbraw/zinc/08/65/14/965086514.db2.gz AEZXEVQYFPQNCD-KKUMJFAQSA-N 2 0 283.460 1.811 10 0 CDAERP Cc1ccc(C[N@@H+](C)CCNC(=O)CC[NH+](C)C)cc1C ZINC001442504067 965094367 /nfs/dbraw/zinc/09/43/67/965094367.db2.gz SAKXSNNFTONNQX-UHFFFAOYSA-N 2 0 291.439 1.803 10 0 CDAERP C[NH+](C)CC[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001558293696 965260414 /nfs/dbraw/zinc/26/04/14/965260414.db2.gz QVSFLNSFDSOKBW-ZDUSSCGKSA-N 2 0 267.417 1.271 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NCC[C@H]2CC[NH+](CCF)C2)C1 ZINC001443261472 965416253 /nfs/dbraw/zinc/41/62/53/965416253.db2.gz JRXVPDOOSPJJBK-UONOGXRCSA-N 2 0 285.407 1.126 10 0 CDAERP CC(C)C[NH+]1CCC(NC(=O)CC[N@@H+]2CC[C@H](F)C2)CC1 ZINC001443307852 965432359 /nfs/dbraw/zinc/43/23/59/965432359.db2.gz DHOCREABXXXLEM-AWEZNQCLSA-N 2 0 299.434 1.657 10 0 CDAERP C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C[NH2+]CC1CC1 ZINC001444310219 965790679 /nfs/dbraw/zinc/79/06/79/965790679.db2.gz ODZBGHPINYJHFE-WFASDCNBSA-N 2 0 279.428 1.080 10 0 CDAERP Cc1ncc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCC[N@@H+]2C)o1 ZINC001444577881 965883068 /nfs/dbraw/zinc/88/30/68/965883068.db2.gz BXNWDRVGCANXBE-FZMZJTMJSA-N 2 0 294.399 1.014 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001445060976 966080162 /nfs/dbraw/zinc/08/01/62/966080162.db2.gz FQQAEJJWFBJIQR-MJBXVCDLSA-N 2 0 267.417 1.269 10 0 CDAERP C[C@@H](C[NH2+]Cc1cccc(F)c1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001445534108 966228807 /nfs/dbraw/zinc/22/88/07/966228807.db2.gz UAOMSNOUHIGJLU-WFASDCNBSA-N 2 0 293.386 1.514 10 0 CDAERP CC(C)CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001445771043 966327210 /nfs/dbraw/zinc/32/72/10/966327210.db2.gz PXVWRUXWOVZGMB-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CC1(CNC(=O)[C@H]2CCCC[C@H]2[NH3+])CC[NH2+]CC1 ZINC001349398085 966335833 /nfs/dbraw/zinc/33/58/33/966335833.db2.gz DPLMRNYHHOJUEW-NWDGAFQWSA-N 2 0 253.390 1.010 10 0 CDAERP CC(C)C[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001447265181 966736899 /nfs/dbraw/zinc/73/68/99/966736899.db2.gz OPUOVOCBWGMMJL-AWEZNQCLSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N(C)C1CCC([NH2+]C[C@H](C)O)CC1 ZINC001447946746 966937357 /nfs/dbraw/zinc/93/73/57/966937357.db2.gz OLIMOXHNBXYKLV-NFOMZHRRSA-N 2 0 299.459 1.067 10 0 CDAERP C[NH+](C)C1(C(=O)N2CCC[N@H+](C)CC2)CCCC1 ZINC001538509929 967060523 /nfs/dbraw/zinc/06/05/23/967060523.db2.gz SHJNYTYKKYQJKK-UHFFFAOYSA-N 2 0 253.390 1.025 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCF)CC1(C)C ZINC001448418862 967105476 /nfs/dbraw/zinc/10/54/76/967105476.db2.gz PSDWHTWROXWPHP-CYBMUJFWSA-N 2 0 287.423 1.514 10 0 CDAERP CC[N@@H+]1CCN(C(=O)[C@@H](C)CC[NH+](C)C)[C@H](C)C1 ZINC001449341105 967437948 /nfs/dbraw/zinc/43/79/48/967437948.db2.gz YGDKDUJIUCQTAN-QWHCGFSZSA-N 2 0 255.406 1.127 10 0 CDAERP Cc1ccc(C[NH2+][C@@H](C)CNC(=O)CC[NH+](C)C)cc1 ZINC001480530616 968114466 /nfs/dbraw/zinc/11/44/66/968114466.db2.gz KSWAESWVFRJKGH-AWEZNQCLSA-N 2 0 277.412 1.541 10 0 CDAERP C[N@H+](CCCCNC(=O)C1CC[NH+](C2CC2)CC1)C1CC1 ZINC001527722299 968728229 /nfs/dbraw/zinc/72/82/29/968728229.db2.gz YPOIYQHPBPAHKJ-UHFFFAOYSA-N 2 0 293.455 1.851 10 0 CDAERP c1ncn2ccnc(N3CCC[N@@H+]4CCC[C@@H]4C3)c12 ZINC001355225765 969092968 /nfs/dbraw/zinc/09/29/68/969092968.db2.gz IOQBDABOXVGRQE-GFCCVEGCSA-N 2 0 257.341 1.404 10 0 CDAERP CCOC(=O)/C=C\C[N@@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC001459632020 969442461 /nfs/dbraw/zinc/44/24/61/969442461.db2.gz XCKMXQWYFGCCFY-LZNQSLFOSA-N 2 0 298.427 1.538 10 0 CDAERP CCOCC[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001460948280 969572150 /nfs/dbraw/zinc/57/21/50/969572150.db2.gz TXLPWBOFUBBGOS-UHFFFAOYSA-N 2 0 270.417 1.336 10 0 CDAERP C([NH2+][C@@H]1C[C@@H]2COC[C@H]12)C1CC[NH+](C2CC2)CC1 ZINC001462169835 969671523 /nfs/dbraw/zinc/67/15/23/969671523.db2.gz BDRYTTVAFFXPJO-VHDGCEQUSA-N 2 0 250.386 1.485 10 0 CDAERP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H](C)CC[NH+](C)C)C1 ZINC001465473929 969876933 /nfs/dbraw/zinc/87/69/33/969876933.db2.gz WDJXECNMISDGLF-LSDHHAIUSA-N 2 0 283.460 1.765 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H]([NH+]3CCC3)C2)C1 ZINC001470340978 970318640 /nfs/dbraw/zinc/31/86/40/970318640.db2.gz PVPKACQYBVYXCH-CABCVRRESA-N 2 0 279.428 1.413 10 0 CDAERP C[NH+](C)C[C@@H]1CN(C(=O)C2(CF)CCC2)C[C@H]1C[NH+](C)C ZINC001471110450 970395003 /nfs/dbraw/zinc/39/50/03/970395003.db2.gz CRHJGCDWTCXQGG-ZIAGYGMSSA-N 2 0 299.434 1.324 10 0 CDAERP C[C@H](CNC(=O)c1ccc(CN(C)C)o1)[N@H+](C)C1CC1 ZINC001361739223 970479229 /nfs/dbraw/zinc/47/92/29/970479229.db2.gz MMUSEQKNIKUIFW-LLVKDONJSA-N 2 0 279.384 1.554 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]CCC2CC2)C1 ZINC001371628046 972570758 /nfs/dbraw/zinc/57/07/58/972570758.db2.gz DJIBUWYPEVPCSP-LSDHHAIUSA-N 2 0 281.444 1.755 10 0 CDAERP CCC[NH2+]C[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001495789238 972632880 /nfs/dbraw/zinc/63/28/80/972632880.db2.gz ULCWEKGKZLHMHH-CHWSQXEVSA-N 2 0 257.422 1.325 10 0 CDAERP C[C@@H](F)CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001372811177 973156028 /nfs/dbraw/zinc/15/60/28/973156028.db2.gz ZXFADVAFFIQPLD-UMVBOHGHSA-N 2 0 299.434 1.655 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CCC[NH+](C(C)C)C1 ZINC001417632822 973218120 /nfs/dbraw/zinc/21/81/20/973218120.db2.gz NNQGXRRFHYCVNX-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H](CC[NH2+]CC1CCC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001497242158 973258527 /nfs/dbraw/zinc/25/85/27/973258527.db2.gz VCWTYYOCYDYIRM-GXTWGEPZSA-N 2 0 267.417 1.365 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC[C@H](C)F)C1 ZINC001418112315 973591232 /nfs/dbraw/zinc/59/12/32/973591232.db2.gz FWQUPSIRIDRJJO-BYNSBNAKSA-N 2 0 299.434 1.846 10 0 CDAERP Cc1cccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001418218240 973675170 /nfs/dbraw/zinc/67/51/70/973675170.db2.gz YZFVNVWVKJAQBF-HOCLYGCPSA-N 2 0 289.423 1.684 10 0 CDAERP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]C/C=C/Cl)[NH+](C)C ZINC001498106951 973684296 /nfs/dbraw/zinc/68/42/96/973684296.db2.gz VIEXGPONMWKUBV-FNSAGKMKSA-N 2 0 275.824 1.419 10 0 CDAERP CCN1CC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001418470913 973877782 /nfs/dbraw/zinc/87/77/82/973877782.db2.gz HBOLZOCPTFQKFY-CABCVRRESA-N 2 0 279.428 1.604 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N2CCC([NH+]3CCC3)CC2)C1 ZINC001418527624 973929414 /nfs/dbraw/zinc/92/94/14/973929414.db2.gz NZKXIGNEMWWKLQ-HNNXBMFYSA-N 2 0 293.455 1.804 10 0 CDAERP CC(C)C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001498526294 973968617 /nfs/dbraw/zinc/96/86/17/973968617.db2.gz OXQZMUKFWKWWPU-ZDUSSCGKSA-N 2 0 255.406 1.175 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@H](C[NH2+]C/C=C/Cl)C2CC2)CCC1 ZINC001498769531 974057508 /nfs/dbraw/zinc/05/75/08/974057508.db2.gz IJPGIUDKOHPPDC-QGQQYVBWSA-N 2 0 299.846 1.708 10 0 CDAERP C[C@@H](C(=O)N[C@@H](C[NH2+]CCF)C1CC1)[NH+]1CCCCCC1 ZINC001498832894 974073291 /nfs/dbraw/zinc/07/32/91/974073291.db2.gz QIQXAVURTULDMV-ZFWWWQNUSA-N 2 0 299.434 1.705 10 0 CDAERP CC(C)C[NH+]1CCC(C)(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001500003360 974350740 /nfs/dbraw/zinc/35/07/40/974350740.db2.gz OANWKOOOYOKHQF-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP CCCC[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001500258578 974412509 /nfs/dbraw/zinc/41/25/09/974412509.db2.gz VCAUCIBNWQLLBG-HOCLYGCPSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001500257072 974412984 /nfs/dbraw/zinc/41/29/84/974412984.db2.gz IKFRAZBUAQZJJG-DZGCQCFKSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)[NH2+][C@H]1C[C@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001375533801 974416057 /nfs/dbraw/zinc/41/60/57/974416057.db2.gz HOKOFXDUVSEZQV-RBSFLKMASA-N 2 0 281.444 1.754 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]CC1CCC1 ZINC001375766663 974472771 /nfs/dbraw/zinc/47/27/71/974472771.db2.gz DHIGYSSPUOLIFD-HNNXBMFYSA-N 2 0 281.444 1.707 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N[C@@]2(C)CC[NH+](CCCF)C2)C1 ZINC001375844318 974493537 /nfs/dbraw/zinc/49/35/37/974493537.db2.gz BNTGUFYDPNCVFA-HIFRSBDPSA-N 2 0 285.407 1.268 10 0 CDAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC[C@@H]1CCCCO1 ZINC001376885205 974802545 /nfs/dbraw/zinc/80/25/45/974802545.db2.gz QMCVXNBHGKJZKY-GJZGRUSLSA-N 2 0 297.443 1.136 10 0 CDAERP C[C@H](F)CC[NH2+]CC1CC(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001505501904 974895801 /nfs/dbraw/zinc/89/58/01/974895801.db2.gz OXZJNVGKZLGBJC-HSBZDZAISA-N 2 0 299.434 1.703 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]C[C@@H](F)CC)C1)[NH+](C)C ZINC001377223036 974932776 /nfs/dbraw/zinc/93/27/76/974932776.db2.gz BEEZRKVAWYIBSI-BFHYXJOUSA-N 2 0 287.423 1.655 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001377451236 975032353 /nfs/dbraw/zinc/03/23/53/975032353.db2.gz HWHWTEWXSNSNEP-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP CCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001505922110 975044103 /nfs/dbraw/zinc/04/41/03/975044103.db2.gz HFFFOAFTDDBRBG-YNEHKIRRSA-N 2 0 255.406 1.173 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001377482352 975046307 /nfs/dbraw/zinc/04/63/07/975046307.db2.gz XXIGATPNNHWISP-HUUCEWRRSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccon1 ZINC001377485543 975048475 /nfs/dbraw/zinc/04/84/75/975048475.db2.gz PYYMDUGCNUIKLU-JSGCOSHPSA-N 2 0 294.399 1.143 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC1C[NH+](CC2CCC(C)CC2)C1 ZINC001377949787 975182306 /nfs/dbraw/zinc/18/23/06/975182306.db2.gz DBLUYUIXHPMJMF-UHFFFAOYSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C1C[NH+](CC[C@H](C)F)C1 ZINC001506679322 975202496 /nfs/dbraw/zinc/20/24/96/975202496.db2.gz OJSGGPULGAPVPF-STQMWFEESA-N 2 0 287.423 1.511 10 0 CDAERP CCC[NH2+]C[C@H]1C[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001506902886 975253304 /nfs/dbraw/zinc/25/33/04/975253304.db2.gz CSNUSMOVPCSJTA-JOCQHMNTSA-N 2 0 255.406 1.223 10 0 CDAERP CCOCC[N@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001506959540 975272819 /nfs/dbraw/zinc/27/28/19/975272819.db2.gz DSNDFRWWODSKFQ-OAHLLOKOSA-N 2 0 297.443 1.040 10 0 CDAERP CCC[NH2+][C@H](C)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001507148201 975355260 /nfs/dbraw/zinc/35/52/60/975355260.db2.gz LDRXELZEKKJYOG-CHWSQXEVSA-N 2 0 255.406 1.175 10 0 CDAERP CC/C=C/CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001507323612 975415476 /nfs/dbraw/zinc/41/54/76/975415476.db2.gz YOFKIAZQNIRZOM-MFHOCJEASA-N 2 0 281.444 1.873 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001397093687 975459895 /nfs/dbraw/zinc/45/98/95/975459895.db2.gz CISXNXKTVZPKMP-XDQVBPFNSA-N 2 0 285.407 1.171 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCCF)[C@@H]1C ZINC001397259025 975518410 /nfs/dbraw/zinc/51/84/10/975518410.db2.gz TUJYEHFAGSJUBV-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1C[NH+](CC2CC2)C1 ZINC001404894543 975531460 /nfs/dbraw/zinc/53/14/60/975531460.db2.gz XTQKCSZNUCKTIM-OAHLLOKOSA-N 2 0 279.428 1.319 10 0 CDAERP CCC[NH2+]C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C(C)(C)C ZINC001508022012 975578485 /nfs/dbraw/zinc/57/84/85/975578485.db2.gz HFHPGMLCRXCRMN-STQMWFEESA-N 2 0 271.449 1.857 10 0 CDAERP CC(C)C[N@H+](C)CCN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001401365879 975619932 /nfs/dbraw/zinc/61/99/32/975619932.db2.gz DBFHLEKBNOFJRQ-OAHLLOKOSA-N 2 0 283.460 1.907 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]C/C=C/Cl ZINC001379130643 975682306 /nfs/dbraw/zinc/68/23/06/975682306.db2.gz LCZXVTRGQQQYCD-KPYDALDBSA-N 2 0 287.835 1.516 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)CC[N@@H+]1CCCF ZINC001397750866 975701472 /nfs/dbraw/zinc/70/14/72/975701472.db2.gz YTFVNLOQWZGBBM-UONOGXRCSA-N 2 0 287.423 1.655 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001401631092 975750753 /nfs/dbraw/zinc/75/07/53/975750753.db2.gz DBQFNGLKIRKCSY-UONOGXRCSA-N 2 0 281.444 1.755 10 0 CDAERP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C)c(C)c1 ZINC001379421159 975836591 /nfs/dbraw/zinc/83/65/91/975836591.db2.gz SHXYBHPQLFFYHM-OAHLLOKOSA-N 2 0 291.439 1.849 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@H]1C[NH+](C[C@@H](C)CC)CCO1 ZINC001405742692 975843329 /nfs/dbraw/zinc/84/33/29/975843329.db2.gz SATYQIONSQXODS-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccccc1)N(C)C(=O)CC[NH+](C)C ZINC001405859640 975911840 /nfs/dbraw/zinc/91/18/40/975911840.db2.gz YPYLJNMXBKFRKP-AWEZNQCLSA-N 2 0 277.412 1.575 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)CC1CCCC1)[NH+](C)C ZINC001401793104 975921949 /nfs/dbraw/zinc/92/19/49/975921949.db2.gz BFMIMIDDWWDTDL-DZGCQCFKSA-N 2 0 283.460 1.953 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NC[C@H]([NH2+]CC2CCCC2)C2CC2)C1 ZINC001398456862 975995513 /nfs/dbraw/zinc/99/55/13/975995513.db2.gz NGMKAGWQDLDBBR-HOTGVXAUSA-N 2 0 293.455 1.613 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001389798551 975995644 /nfs/dbraw/zinc/99/56/44/975995644.db2.gz AQKHQKVXJKQKIK-AGIUHOORSA-N 2 0 273.396 1.265 10 0 CDAERP CC[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C(C)C ZINC001406072675 976001474 /nfs/dbraw/zinc/00/14/74/976001474.db2.gz HVRBOBXLBBGENR-LSDHHAIUSA-N 2 0 283.460 1.857 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCN(C)C(=O)C[NH+](C)C1CCC1 ZINC001406100746 976028673 /nfs/dbraw/zinc/02/86/73/976028673.db2.gz AKLXLOAVEAZJRK-ZDUSSCGKSA-N 2 0 287.423 1.609 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCN(C)C(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001406149702 976066315 /nfs/dbraw/zinc/06/63/15/976066315.db2.gz VGEOWMXYFOYSLR-QWHCGFSZSA-N 2 0 298.406 1.727 10 0 CDAERP Cc1oncc1C[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001402055710 976102192 /nfs/dbraw/zinc/10/21/92/976102192.db2.gz HXDLPVCHDFTLSS-AWEZNQCLSA-N 2 0 294.399 1.015 10 0 CDAERP CC[C@H](F)C[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001390063411 976110306 /nfs/dbraw/zinc/11/03/06/976110306.db2.gz KNMHOKJDWLOHJI-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001398696773 976112732 /nfs/dbraw/zinc/11/27/32/976112732.db2.gz RNGVWHLYEWFSLP-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@@H+]1CC[C@@](C)(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001402134726 976138395 /nfs/dbraw/zinc/13/83/95/976138395.db2.gz OAOAJNANMWBAPN-MRXNPFEDSA-N 2 0 297.443 1.086 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001406404996 976167718 /nfs/dbraw/zinc/16/77/18/976167718.db2.gz KJSFVLYFJJQONX-DGCLKSJQSA-N 2 0 273.396 1.171 10 0 CDAERP CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC[C@H](C)F)C[C@H]21)[NH+](C)C ZINC001390223984 976173868 /nfs/dbraw/zinc/17/38/68/976173868.db2.gz TZKBYUDMYGEWMD-VQJWOFKYSA-N 2 0 299.434 1.367 10 0 CDAERP CCC[NH2+][C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001402314359 976232843 /nfs/dbraw/zinc/23/28/43/976232843.db2.gz MKDJSFAMUFRIGI-GJZGRUSLSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N(C)C2CC([NH2+]C/C=C\Cl)C2)C1 ZINC001380173013 976278221 /nfs/dbraw/zinc/27/82/21/976278221.db2.gz UVUMXGRYOUTETA-ZNIRAQBNSA-N 2 0 299.846 1.660 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001402443413 976285280 /nfs/dbraw/zinc/28/52/80/976285280.db2.gz HKAPBMVHQKUNHP-QLFBSQMISA-N 2 0 283.460 1.809 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)C(C)C ZINC001406600324 976290856 /nfs/dbraw/zinc/29/08/56/976290856.db2.gz HZKVEKMXVWPFBN-GJZGRUSLSA-N 2 0 283.460 1.952 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001402461497 976296868 /nfs/dbraw/zinc/29/68/68/976296868.db2.gz KTDVUHKZZNHVOX-STQMWFEESA-N 2 0 271.380 1.021 10 0 CDAERP C[C@@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH2+]CC1CC1 ZINC001399042447 976301385 /nfs/dbraw/zinc/30/13/85/976301385.db2.gz WSLAROLXICCZSV-LRDDRELGSA-N 2 0 299.434 1.703 10 0 CDAERP CO[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001402497130 976315697 /nfs/dbraw/zinc/31/56/97/976315697.db2.gz VJTXWLYFMQODPT-TUVASFSCSA-N 2 0 297.443 1.133 10 0 CDAERP CC[C@H](C)C[NH+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001402499810 976318731 /nfs/dbraw/zinc/31/87/31/976318731.db2.gz KEXZBCSBHSBQLA-HNNXBMFYSA-N 2 0 295.471 1.909 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC2(C)CC[NH+](CCF)CC2)C1 ZINC001380308370 976340658 /nfs/dbraw/zinc/34/06/58/976340658.db2.gz HBVVIAKCJJHGJC-ZDUSSCGKSA-N 2 0 285.407 1.268 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@]1(C)CC[NH+](C[C@@H](C)CC)C1 ZINC001380386889 976403087 /nfs/dbraw/zinc/40/30/87/976403087.db2.gz XCDMKGXOMNVPRV-GOEBONIOSA-N 2 0 283.460 1.955 10 0 CDAERP Cc1nc(C[NH2+][C@@H](C)CCNC(=O)C[N@H+](C)C(C)C)co1 ZINC001390737463 976471405 /nfs/dbraw/zinc/47/14/05/976471405.db2.gz VXRCTJSLDJCQKW-LBPRGKRZSA-N 2 0 296.415 1.308 10 0 CDAERP CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001380666255 976504923 /nfs/dbraw/zinc/50/49/23/976504923.db2.gz IWAUVVOKYNBOLI-UONOGXRCSA-N 2 0 279.428 1.319 10 0 CDAERP CC(C)CC[N@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001399562458 976567312 /nfs/dbraw/zinc/56/73/12/976567312.db2.gz UUMWITMEMCOEMP-UHFFFAOYSA-N 2 0 283.460 1.955 10 0 CDAERP CC[N@H+](C)CCC(=O)NC1CC(C[NH2+]CC2CCC2)C1 ZINC001402948518 976607409 /nfs/dbraw/zinc/60/74/09/976607409.db2.gz VEAZQEHVUDHROG-UHFFFAOYSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001399931794 976755035 /nfs/dbraw/zinc/75/50/35/976755035.db2.gz PBDVKUDYFJWTAG-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@@H]1CC[C@H](C[N@H+](CCNC(=O)CC[NH+](C)C)C2CC2)O1 ZINC001400027737 976812209 /nfs/dbraw/zinc/81/22/09/976812209.db2.gz YWEVLOYHSNLHEL-UKRRQHHQSA-N 2 0 297.443 1.086 10 0 CDAERP C[NH+](C)CCC(=O)NCC[C@H]1CC[N@H+](CCCF)C1 ZINC001391322910 976812427 /nfs/dbraw/zinc/81/24/27/976812427.db2.gz IMJPLHPATBJFOL-ZDUSSCGKSA-N 2 0 273.396 1.126 10 0 CDAERP COC[C@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001403316343 976878012 /nfs/dbraw/zinc/87/80/12/976878012.db2.gz BBAUZVOXDLFDFY-LSDHHAIUSA-N 2 0 297.443 1.040 10 0 CDAERP C[NH+](C)CCC(=O)NCC[C@H]1CC[N@H+](C/C=C/Cl)C1 ZINC001400181219 976901610 /nfs/dbraw/zinc/90/16/10/976901610.db2.gz XSJFJJSGSPQTCN-MXPWBENCSA-N 2 0 287.835 1.519 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)C1C[NH+](CCC(C)C)C1 ZINC001403355685 976905861 /nfs/dbraw/zinc/90/58/61/976905861.db2.gz RIUIITWSXBFEJO-AWEZNQCLSA-N 2 0 283.460 1.811 10 0 CDAERP CCC[N@H+](C)CC(=O)NCC1C[NH+](CC[C@H](C)F)C1 ZINC001391515680 976927278 /nfs/dbraw/zinc/92/72/78/976927278.db2.gz MBIIKRSSZMNOQE-LBPRGKRZSA-N 2 0 273.396 1.124 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001391543295 976949133 /nfs/dbraw/zinc/94/91/33/976949133.db2.gz GWXCFYJNWWZUGS-LSDHHAIUSA-N 2 0 299.434 1.657 10 0 CDAERP CC[C@H](F)C[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001381615676 976951722 /nfs/dbraw/zinc/95/17/22/976951722.db2.gz BYXKAOFSCWRRKR-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@]2(C)C[N@H+](CCCF)C[C@]2(C)C1 ZINC001381947502 977091553 /nfs/dbraw/zinc/09/15/53/977091553.db2.gz IVLHFJMDKFFROZ-IYBDPMFKSA-N 2 0 299.434 1.468 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N[C@](C)(C[NH2+]CC2CC2)C2CC2)C1 ZINC001391799406 977101609 /nfs/dbraw/zinc/10/16/09/977101609.db2.gz REOHERMFTFXENH-CZUORRHYSA-N 2 0 279.428 1.223 10 0 CDAERP CC(C)[NH2+]Cc1ccc(CNC(=O)C[NH+]2CCCC2)cc1 ZINC001391837372 977110619 /nfs/dbraw/zinc/11/06/19/977110619.db2.gz MIPWGJVMTWQGOB-UHFFFAOYSA-N 2 0 289.423 1.897 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1CC[NH+](CCC2CC2)C1 ZINC001400613947 977111729 /nfs/dbraw/zinc/11/17/29/977111729.db2.gz PFXHNBJXPDYRSY-JKSUJKDBSA-N 2 0 293.455 1.851 10 0 CDAERP Cc1oncc1C[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001403627799 977113069 /nfs/dbraw/zinc/11/30/69/977113069.db2.gz SUDUUYKMGNQPIJ-GFCCVEGCSA-N 2 0 296.415 1.260 10 0 CDAERP CC1CC(C[N@H+](C)CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001403736057 977167049 /nfs/dbraw/zinc/16/70/49/977167049.db2.gz ORZBYHJDOBWWDW-SLTAFYQDSA-N 2 0 281.444 1.422 10 0 CDAERP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CC1CC1 ZINC001382129568 977179827 /nfs/dbraw/zinc/17/98/27/977179827.db2.gz VCNSGZUUJFDPPA-IPYPFGDCSA-N 2 0 281.444 1.563 10 0 CDAERP CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001403775147 977184631 /nfs/dbraw/zinc/18/46/31/977184631.db2.gz WEADZVMMMHLLIX-HRCADAONSA-N 2 0 295.471 1.955 10 0 CDAERP Cc1ncc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)CC[NH+](C)C)C2)o1 ZINC001382321507 977248155 /nfs/dbraw/zinc/24/81/55/977248155.db2.gz XFMYQQRDLMGIQH-WCQYABFASA-N 2 0 294.399 1.014 10 0 CDAERP COC[C@H](C)[NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C ZINC001382368450 977266617 /nfs/dbraw/zinc/26/66/17/977266617.db2.gz LDBAPZPPAMVDCL-KBPBESRZSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CCCC1 ZINC001392255892 977285003 /nfs/dbraw/zinc/28/50/03/977285003.db2.gz ZPWPUDMVQXTEBD-CVEARBPZSA-N 2 0 295.471 1.859 10 0 CDAERP CC[C@@H](C(=O)N(C)C1CC([NH2+]CCC(C)C)C1)[NH+](C)C ZINC001382580307 977310951 /nfs/dbraw/zinc/31/09/51/977310951.db2.gz DRZGSKHZVIZSEC-NRXISQOPSA-N 2 0 283.460 1.952 10 0 CDAERP CC[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CCC(C)C)[NH+](C)C ZINC001404025296 977311743 /nfs/dbraw/zinc/31/17/43/977311743.db2.gz QRBPLFLFEDTIJN-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CCCF)C1 ZINC001392351469 977418803 /nfs/dbraw/zinc/41/88/03/977418803.db2.gz SYNWYDMJCNBJMX-KBPBESRZSA-N 2 0 285.407 1.221 10 0 CDAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]CC1CCCC1 ZINC001393399602 977779024 /nfs/dbraw/zinc/77/90/24/977779024.db2.gz VQZDDFCDHBQAIO-ZBFHGGJFSA-N 2 0 295.471 1.812 10 0 CDAERP CC(C)CC[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCC1 ZINC001393571624 977840969 /nfs/dbraw/zinc/84/09/69/977840969.db2.gz YXTPTJNOIDAAGI-UHFFFAOYSA-N 2 0 281.444 1.757 10 0 CDAERP CN(CCC[N@H+](C)CCCF)C(=O)C12CC[NH+](CC1)C2 ZINC001393643598 977879623 /nfs/dbraw/zinc/87/96/23/977879623.db2.gz PECRNDKZPLTMNV-UHFFFAOYSA-N 2 0 285.407 1.222 10 0 CDAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1cncs1 ZINC001393749148 977907335 /nfs/dbraw/zinc/90/73/35/977907335.db2.gz LTJAZHCJXYVXHL-WCQYABFASA-N 2 0 296.440 1.031 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1conc1C ZINC001393991543 977999060 /nfs/dbraw/zinc/99/90/60/977999060.db2.gz KCAAGYKKBNCHGJ-NWDGAFQWSA-N 2 0 296.415 1.308 10 0 CDAERP CC[NH2+]C1CC(N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001394857985 978286015 /nfs/dbraw/zinc/28/60/15/978286015.db2.gz DQWYQHJBRTYBRL-YMAMQOFZSA-N 2 0 281.444 1.706 10 0 CDAERP CC(C)C[NH+]1CCC(C2(NC(=O)CC[NH+](C)C)CC2)CC1 ZINC001394859342 978286268 /nfs/dbraw/zinc/28/62/68/978286268.db2.gz GDKJSNNCEWLCAV-UHFFFAOYSA-N 2 0 295.471 1.955 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC2CC(C[NH2+]CCCF)C2)C1 ZINC001570578028 1170195096 /nfs/dbraw/zinc/19/50/96/1170195096.db2.gz BBUHFZRTCNVLEF-HSBZDZAISA-N 2 0 285.407 1.172 10 0 CDAERP CC(C)[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001570731673 1170259287 /nfs/dbraw/zinc/25/92/87/1170259287.db2.gz JXEZPMCGHJXAOK-IHRRRGAJSA-N 2 0 269.433 1.562 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC[C@H](C)F)C1)[NH+](C)C ZINC001571162815 1170342182 /nfs/dbraw/zinc/34/21/82/1170342182.db2.gz GFTRPNXYVMOWEK-XUXIUFHCSA-N 2 0 287.423 1.559 10 0 CDAERP COCC[NH2+]C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C(C)(C)C ZINC001571630657 1170501261 /nfs/dbraw/zinc/50/12/61/1170501261.db2.gz KXRCPOZDFLGLSO-CYBMUJFWSA-N 2 0 299.459 1.095 10 0 CDAERP CCN(C(=O)C[NH+](C)[C@H]1CCSC1)[C@@H]1CC[N@H+](CC)C1 ZINC000617926974 342479685 /nfs/dbraw/zinc/47/96/85/342479685.db2.gz NJPBFTGNBFSANY-KGLIPLIRSA-N 2 0 299.484 1.366 10 0 CDAERP CC[C@H](C)[NH2+]C[C@H](O)CO[C@@H]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000675078838 539085692 /nfs/dbraw/zinc/08/56/92/539085692.db2.gz AAJVCFFDIGNBKY-ZQNQSHIBSA-N 2 0 270.417 1.283 10 0 CDAERP C[C@@H](CNC(=O)N[C@H]1CCC[N@H+](C)C1)[NH+]1CCC[C@@H](C)C1 ZINC000618554875 349482082 /nfs/dbraw/zinc/48/20/82/349482082.db2.gz KGXHSQBWYXTGEO-ILXRZTDVSA-N 2 0 296.459 1.500 10 0 CDAERP C[NH2+]Cc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000650755543 398180272 /nfs/dbraw/zinc/18/02/72/398180272.db2.gz HJZYWRHOVWVOMY-XYPWUTKMSA-N 3 0 259.397 1.779 10 0 CDAERP C[NH2+]Cc1ccccc1C[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000650720028 398160483 /nfs/dbraw/zinc/16/04/83/398160483.db2.gz CHNQRGXSRIYZSB-ZIAGYGMSSA-N 3 0 261.413 1.884 10 0 CDAERP CC(C)C[C@@H]([NH3+])C[NH2+][C@@H]1CCCc2c1ccc(=O)n2C ZINC000650725013 398163940 /nfs/dbraw/zinc/16/39/40/398163940.db2.gz RDKXSWMFHGWNHY-TZMCWYRMSA-N 2 0 277.412 1.726 10 0 CDAERP CC[C@H](C)[N@H+](CC)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000661105007 482491701 /nfs/dbraw/zinc/49/17/01/482491701.db2.gz CBOMIZHQLLNEOH-ZDUSSCGKSA-N 2 0 281.444 1.850 10 0 CDAERP C([C@H]1CCOC1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047973061 342149797 /nfs/dbraw/zinc/14/97/97/342149797.db2.gz JENMJGAXECHFCS-OAHLLOKOSA-N 2 0 252.402 1.831 10 0 CDAERP O=C(CC[C@H]1CCC[NH2+]C1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000621657997 342153298 /nfs/dbraw/zinc/15/32/98/342153298.db2.gz ZMAVNFMCCDZIOD-GDBMZVCRSA-N 2 0 279.428 1.368 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(CC2(O)CCOCC2)C1 ZINC000440072030 361847805 /nfs/dbraw/zinc/84/78/05/361847805.db2.gz LPLGCJRVERHWBD-OWCLPIDISA-N 2 0 296.455 1.865 10 0 CDAERP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(F)c2cccnc12 ZINC000263138910 361924161 /nfs/dbraw/zinc/92/41/61/361924161.db2.gz CEVCQDHZXZCNAE-RISCZKNCSA-N 2 0 275.327 1.044 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC000629399096 361928814 /nfs/dbraw/zinc/92/88/14/361928814.db2.gz LLJURAGHKVUQLZ-UHFFFAOYSA-N 2 0 274.368 1.532 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1c[nH]nc1-c1ccccc1F ZINC000629401997 361940193 /nfs/dbraw/zinc/94/01/93/361940193.db2.gz XKVMOKXNMZTXPP-UHFFFAOYSA-N 2 0 292.358 1.671 10 0 CDAERP C[C@@H]1C[C@@H](N[C@@H]2CC[NH2+][C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000629408105 361949841 /nfs/dbraw/zinc/94/98/41/361949841.db2.gz QIVROGNSEIYAEN-YALNPMBYSA-N 2 0 273.424 1.989 10 0 CDAERP C[C@@H]([NH3+])CNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000669485080 539060512 /nfs/dbraw/zinc/06/05/12/539060512.db2.gz DPRZRGFBIGXPSX-SNVBAGLBSA-N 2 0 282.363 1.034 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000588856849 342223340 /nfs/dbraw/zinc/22/33/40/342223340.db2.gz JSHZTTIYTDPYQU-CQSZACIVSA-N 2 0 293.415 1.258 10 0 CDAERP CC(C)OC(=O)CC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000600751851 342248283 /nfs/dbraw/zinc/24/82/83/342248283.db2.gz BEJNTIUHDXGBMJ-HNNXBMFYSA-N 2 0 298.427 1.419 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000417854093 282192383 /nfs/dbraw/zinc/19/23/83/282192383.db2.gz PPPWDIZMCHWYIF-BYNSBNAKSA-N 2 0 294.443 1.395 10 0 CDAERP O=C(c1ccc2c[nH+]cn2c1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645110515 362126038 /nfs/dbraw/zinc/12/60/38/362126038.db2.gz DNGUXHHICMUQCA-CJNGLKHVSA-N 2 0 298.390 1.939 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000596057991 343222576 /nfs/dbraw/zinc/22/25/76/343222576.db2.gz ATJNJFZPWMDASS-DTZQCDIJSA-N 2 0 294.439 1.896 10 0 CDAERP Nc1nc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2c([nH+]1)CCCC2 ZINC000645127152 362136281 /nfs/dbraw/zinc/13/62/81/362136281.db2.gz HIJBLSZTWJULJR-VXGBXAGGSA-N 2 0 287.411 1.229 10 0 CDAERP [NH3+][C@@H]1C[C@H](NCC2([NH3+])CCOCC2)c2ccccc21 ZINC000629519969 362139952 /nfs/dbraw/zinc/13/99/52/362139952.db2.gz JIZXXMQPMZHRPO-KGLIPLIRSA-N 2 0 261.369 1.229 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000629529037 362155333 /nfs/dbraw/zinc/15/53/33/362155333.db2.gz QBIYGOISRCKAGF-ZDUSSCGKSA-N 2 0 294.395 1.735 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000351899620 362146573 /nfs/dbraw/zinc/14/65/73/362146573.db2.gz SXPDYOLXANECOA-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1N[C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000629528182 362152817 /nfs/dbraw/zinc/15/28/17/362152817.db2.gz RRPBXNQIWWHSIP-ARLBYUKCSA-N 2 0 261.413 1.675 10 0 CDAERP CCO[C@H](C[NH+]1CCC2(CC[NH2+]C2)CC1)C1CC1 ZINC000629531917 362163554 /nfs/dbraw/zinc/16/35/54/362163554.db2.gz DTZGDCXIMOWZBD-CQSZACIVSA-N 2 0 252.402 1.877 10 0 CDAERP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000251847142 344060063 /nfs/dbraw/zinc/06/00/63/344060063.db2.gz RBANSGUWWQMIAZ-FQUUOJAGSA-N 2 0 265.401 1.070 10 0 CDAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc2ccccc2c1 ZINC000263252608 362396815 /nfs/dbraw/zinc/39/68/15/362396815.db2.gz QBPQJTBYGRCMHM-JKSUJKDBSA-N 2 0 256.349 1.510 10 0 CDAERP [NH3+]C1(CCN2CC[C@H]([NH+]3CCCC3)C2)CCCC1 ZINC000084188990 178821776 /nfs/dbraw/zinc/82/17/76/178821776.db2.gz UMUPIHRABMJLIL-AWEZNQCLSA-N 2 0 251.418 1.818 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)CC[N@@H+]1C ZINC000617344844 345177057 /nfs/dbraw/zinc/17/70/57/345177057.db2.gz QOGPIXNXFRMPEY-MELADBBJSA-N 2 0 281.444 1.706 10 0 CDAERP NC(=O)C1CCC([NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000538159299 282396239 /nfs/dbraw/zinc/39/62/39/282396239.db2.gz ODRCIIFWQGJVIX-UHFFFAOYSA-N 2 0 279.428 1.495 10 0 CDAERP C[N@H+](CCNC(=O)[C@@]1(C)CCC[NH2+]1)C1CCCC1 ZINC000079521550 362660698 /nfs/dbraw/zinc/66/06/98/362660698.db2.gz UNQKAEDHCCAAPD-CQSZACIVSA-N 2 0 253.390 1.119 10 0 CDAERP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@@H]1CCCCO1 ZINC000623902517 345725500 /nfs/dbraw/zinc/72/55/00/345725500.db2.gz JXTPMJQOXWBHDO-HOCLYGCPSA-N 2 0 283.460 1.560 10 0 CDAERP CC(C)c1ncc2c(n1)CCN(C[C@@H]1CC[NH2+]C1)C2 ZINC000623232724 345727447 /nfs/dbraw/zinc/72/74/47/345727447.db2.gz WOHZZIJLGZFYJL-GFCCVEGCSA-N 2 0 260.385 1.568 10 0 CDAERP CC(C)C[N@@H+]1CCO[C@H](CN[C@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623340489 346068898 /nfs/dbraw/zinc/06/88/98/346068898.db2.gz KHQPGKTYTUPPHF-JKSUJKDBSA-N 2 0 297.487 1.806 10 0 CDAERP C[N@@H+]1CC[C@@H](NCCC[NH+]2CCC(O)CC2)CC1(C)C ZINC000623373158 346108579 /nfs/dbraw/zinc/10/85/79/346108579.db2.gz UAJGHSQBZVOAGC-CQSZACIVSA-N 2 0 283.460 1.296 10 0 CDAERP C[C@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)CN1CC[NH+](C)CC1 ZINC000623402280 346166019 /nfs/dbraw/zinc/16/60/19/346166019.db2.gz FEUQOOCYDAYUKR-CVEARBPZSA-N 3 0 296.503 1.332 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCc2cccc(C(N)=O)c2)CC1(C)C ZINC000623405728 346185103 /nfs/dbraw/zinc/18/51/03/346185103.db2.gz WQZSPTCJMVZXQL-HNNXBMFYSA-N 2 0 289.423 1.790 10 0 CDAERP CC1(C)CC(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])CC(C)(C)[NH2+]1 ZINC000085370877 179041089 /nfs/dbraw/zinc/04/10/89/179041089.db2.gz DWYZMDGODWPZKK-STQMWFEESA-N 2 0 281.444 1.929 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@H]2CCC[C@H]2[NH3+])CC1 ZINC000085371024 179041387 /nfs/dbraw/zinc/04/13/87/179041387.db2.gz GZENIKVNGAMNBI-QWHCGFSZSA-N 2 0 253.390 1.104 10 0 CDAERP C[N@@H+]1CCC[C@H](n2c3c(nc2C2CC2)C[NH2+]CC3)C1 ZINC000085572143 179096931 /nfs/dbraw/zinc/09/69/31/179096931.db2.gz DSXFQYBLNVRFRY-LBPRGKRZSA-N 2 0 260.385 1.673 10 0 CDAERP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000635927769 362761457 /nfs/dbraw/zinc/76/14/57/362761457.db2.gz UFHOXYPOMHGHCL-BHPKHCPMSA-N 2 0 288.395 1.598 10 0 CDAERP CCc1nc2c(n1[C@@H]1CC[N@@H+](C3CC3)C1)CC[NH2+]C2 ZINC000085573004 179098699 /nfs/dbraw/zinc/09/86/99/179098699.db2.gz KPZZDRLEUPINFT-GFCCVEGCSA-N 2 0 260.385 1.500 10 0 CDAERP Cc1nc2c(n1CCCC[N@@H+](C)C(C)C)CC[NH2+]C2 ZINC000085572999 179098755 /nfs/dbraw/zinc/09/87/55/179098755.db2.gz ZKBUOVFLKPOAHE-UHFFFAOYSA-N 2 0 264.417 1.958 10 0 CDAERP CC(C)(C)[C@@H]1C[N@H+](CCCn2ccnc2)CCC[NH2+]1 ZINC000085613520 179102229 /nfs/dbraw/zinc/10/22/29/179102229.db2.gz JZDHFZFTJMHGIZ-AWEZNQCLSA-N 2 0 264.417 1.983 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CC(=O)N(C(C)(C)C)C2)CC1(C)C ZINC000623438348 346756545 /nfs/dbraw/zinc/75/65/45/346756545.db2.gz WNAPXOSKNSTUEY-OLZOCXBDSA-N 2 0 281.444 1.848 10 0 CDAERP COC1CC[NH+](CCN[C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623441899 346759136 /nfs/dbraw/zinc/75/91/36/346759136.db2.gz OHRZXBOFDJJFIQ-CQSZACIVSA-N 2 0 283.460 1.560 10 0 CDAERP C[NH+]1CCC2(CCC[N@H+](CC(=O)NC(C)(C)C)C2)CC1 ZINC000374075597 370648971 /nfs/dbraw/zinc/64/89/71/370648971.db2.gz VMNFPCHPNWFKDP-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C)[NH+](C)C ZINC000413510434 362796312 /nfs/dbraw/zinc/79/63/12/362796312.db2.gz VXAFHQNDMYPPID-MGPQQGTHSA-N 2 0 269.433 1.515 10 0 CDAERP C1CCC2(CC1)CN([C@H]1C[NH+]3CCC1CC3)CC[NH2+]2 ZINC000086124869 179236096 /nfs/dbraw/zinc/23/60/96/179236096.db2.gz QRKXBLLHNTYEJL-HNNXBMFYSA-N 2 0 263.429 1.689 10 0 CDAERP C[NH+]1CCC(N2CC[NH2+][C@](C)(c3ccccc3)C2)CC1 ZINC000086127452 179236121 /nfs/dbraw/zinc/23/61/21/179236121.db2.gz IKXBEDOXOFDJEJ-KRWDZBQOSA-N 2 0 273.424 1.901 10 0 CDAERP CC[N@@H+]1CC[C@H](CN2CC[NH2+][C@H](C(C)(C)C)C2)C1 ZINC000086141839 179236901 /nfs/dbraw/zinc/23/69/01/179236901.db2.gz AAAGMRKUXLOGQX-KBPBESRZSA-N 2 0 253.434 1.648 10 0 CDAERP C[N@@H+]1CC[C@@H](CN2CC[NH2+][C@@](C)(c3ccccc3)C2)C1 ZINC000086141873 179237097 /nfs/dbraw/zinc/23/70/97/179237097.db2.gz YRDFJKKNRFHODX-NVXWUHKLSA-N 2 0 273.424 1.759 10 0 CDAERP C[C@@H]1CC[C@H](CN)[N@H+](CCCc2cncn2C)[C@@H]1C ZINC000641805731 365879738 /nfs/dbraw/zinc/87/97/38/365879738.db2.gz GMZDMKDRWMYSKL-MGPQQGTHSA-N 2 0 264.417 1.800 10 0 CDAERP CC(C)C[N@H+](C)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000065962113 347475743 /nfs/dbraw/zinc/47/57/43/347475743.db2.gz WEQFCMIELOYGEY-HNNXBMFYSA-N 2 0 299.459 1.047 10 0 CDAERP CC[NH+]1CCC(C[N@@H+]2CCN[C@@](C)(CC)C2)CC1 ZINC000086145700 179238903 /nfs/dbraw/zinc/23/89/03/179238903.db2.gz OEMXJQJQVXOKFH-HNNXBMFYSA-N 2 0 253.434 1.792 10 0 CDAERP C[C@H]1CN[C@@](C)(C2CC2)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086259001 179256831 /nfs/dbraw/zinc/25/68/31/179256831.db2.gz CMSNRXYGKWQOCK-XJKSGUPXSA-N 2 0 265.445 1.791 10 0 CDAERP C[N@@H+]1CC[C@@H](NC[C@H]2CCC[NH+]2CCCO)CC1(C)C ZINC000623535799 347619834 /nfs/dbraw/zinc/61/98/34/347619834.db2.gz FZRBYBQGRZXVDL-HUUCEWRRSA-N 2 0 283.460 1.296 10 0 CDAERP Cn1cnc(CC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623546808 347626475 /nfs/dbraw/zinc/62/64/75/347626475.db2.gz UCBXSMCRVRLJQT-LBPRGKRZSA-N 2 0 250.390 1.425 10 0 CDAERP CCCN1C[C@@H](C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CC1=O ZINC000623552510 347628434 /nfs/dbraw/zinc/62/84/34/347628434.db2.gz ILMWBGCCNNLIHT-ZIAGYGMSSA-N 2 0 281.444 1.707 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CCO[C@@H]2CC2(F)F)CC1(C)C ZINC000623564377 347635048 /nfs/dbraw/zinc/63/50/48/347635048.db2.gz AFDWDAOJHANMRY-GHMZBOCLSA-N 2 0 262.344 1.873 10 0 CDAERP CCCN(CC[NH+]1CCCCCC1)C(=O)NC/C=C/C[NH3+] ZINC000641861786 365945161 /nfs/dbraw/zinc/94/51/61/365945161.db2.gz FAHHOJSICISEQA-AATRIKPKSA-N 2 0 296.459 1.799 10 0 CDAERP C[N@H+](CCN1CCN2CCOC[C@H]2C1)Cc1ccccc1 ZINC000450738827 362880468 /nfs/dbraw/zinc/88/04/68/362880468.db2.gz PJORQYDNXUIQKW-QGZVFWFLSA-N 2 0 289.423 1.135 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@H]1CCCOc2ccccc21 ZINC000629536536 362951150 /nfs/dbraw/zinc/95/11/50/362951150.db2.gz GTXNNZWXISCWRL-AWEZNQCLSA-N 2 0 264.369 1.855 10 0 CDAERP CN1C(=O)c2ccccc2[C@@H]1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000629537934 362953459 /nfs/dbraw/zinc/95/34/59/362953459.db2.gz MXMMDUMOENEZOL-WBOJAVRRSA-N 2 0 299.418 1.791 10 0 CDAERP CC[C@@H]1CN(C(=O)C[N@H+](C)[C@H]2CCSC2)C[C@H](C)[NH2+]1 ZINC000620901859 350371818 /nfs/dbraw/zinc/37/18/18/350371818.db2.gz AQZXKEIALSQCSZ-XQQFMLRXSA-N 2 0 285.457 1.023 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000629543495 362962293 /nfs/dbraw/zinc/96/22/93/362962293.db2.gz AHPLZKNLMUPBIT-VQJWOFKYSA-N 2 0 252.402 1.922 10 0 CDAERP C[C@@H]1C[C@@H](C)[N@H+](CCOC2CCOCC2)C[C@H]1C[NH3+] ZINC000629542429 362966434 /nfs/dbraw/zinc/96/64/34/362966434.db2.gz ZHPVNRZFSOSZOG-MGPQQGTHSA-N 2 0 270.417 1.487 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1cc2ccccc2[nH]c1=O ZINC000629571006 363018373 /nfs/dbraw/zinc/01/83/73/363018373.db2.gz IEVWFCCOIFSYHH-UHFFFAOYSA-N 2 0 289.379 1.608 10 0 CDAERP COC[C@]1(C)C[N@H+](CCCC2CC[NH2+]CC2)CCO1 ZINC000629595724 363094627 /nfs/dbraw/zinc/09/46/27/363094627.db2.gz VRRHWQGKXMKORV-HNNXBMFYSA-N 2 0 270.417 1.504 10 0 CDAERP CC[C@H](C(=O)NCc1ccc([C@@H](C)[NH3+])cc1)[NH+](C)C ZINC000629612089 363203166 /nfs/dbraw/zinc/20/31/66/363203166.db2.gz RZCCWFBWLXOAJJ-BXUZGUMPSA-N 2 0 263.385 1.663 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333932433 363233906 /nfs/dbraw/zinc/23/39/06/363233906.db2.gz GUVDFDGTUOZKBZ-KGLIPLIRSA-N 2 0 282.432 1.302 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1ccc(OC)cc1OC ZINC000629652573 363251674 /nfs/dbraw/zinc/25/16/74/363251674.db2.gz HYUJVDCUNFAWKS-UHFFFAOYSA-N 2 0 282.384 1.372 10 0 CDAERP CC(C)=CC[N@H+](C)CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001660147152 1172166344 /nfs/dbraw/zinc/16/63/44/1172166344.db2.gz ZZVMXBQVUDEFFU-INIZCTEOSA-N 2 0 293.455 1.733 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1cn(C)nc1C(C)(C)C ZINC000629654348 363256481 /nfs/dbraw/zinc/25/64/81/363256481.db2.gz PQQQKFBVRNIMFJ-UHFFFAOYSA-N 2 0 282.432 1.385 10 0 CDAERP COCC[N@H+](C)CCC[NH2+][C@@H](C)C1(OC)CCOCC1 ZINC000453088954 363284568 /nfs/dbraw/zinc/28/45/68/363284568.db2.gz QKXPIFDMPGHQKP-AWEZNQCLSA-N 2 0 288.432 1.128 10 0 CDAERP CC(C)n1ncnc1CNCc1ccc2c[nH+]cn2c1 ZINC000631157953 366193813 /nfs/dbraw/zinc/19/38/13/366193813.db2.gz VGUJRKVONARARI-UHFFFAOYSA-N 2 0 270.340 1.797 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCN2CCSCC2)[C@H]2CCC[C@H]21 ZINC000353519019 283136483 /nfs/dbraw/zinc/13/64/83/283136483.db2.gz LWLUYUGYGPHGMR-QLFBSQMISA-N 2 0 283.485 1.498 10 0 CDAERP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]([NH+](C)C)C1(C)C ZINC000636090603 363479602 /nfs/dbraw/zinc/47/96/02/363479602.db2.gz LLKJDLGCSNMSDQ-NEPJUHHUSA-N 2 0 255.406 1.173 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000566171843 358275001 /nfs/dbraw/zinc/27/50/01/358275001.db2.gz VEUJHYPJYBMLIJ-KFWWJZLASA-N 2 0 281.444 1.885 10 0 CDAERP CCC[NH+]1CCC(NC(=O)c2ccccc2CC[NH3+])CC1 ZINC000070552624 358969437 /nfs/dbraw/zinc/96/94/37/358969437.db2.gz ZQXXOXPSGYOTLP-UHFFFAOYSA-N 2 0 289.423 1.792 10 0 CDAERP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)N1CCC2(CC[NH2+]2)CC1 ZINC000335228263 359069769 /nfs/dbraw/zinc/06/97/69/359069769.db2.gz UAUIIHBYSWISSD-UONOGXRCSA-N 2 0 292.427 1.151 10 0 CDAERP C(C1CC[NH2+]CC1)[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000261868343 359071159 /nfs/dbraw/zinc/07/11/59/359071159.db2.gz XCWMPGBDQLIRKT-HNNXBMFYSA-N 2 0 252.402 1.879 10 0 CDAERP CN(C(=O)CC[C@H]1CC[NH2+]C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000261908452 359085603 /nfs/dbraw/zinc/08/56/03/359085603.db2.gz WDCJDQUTEWMIHL-JSGCOSHPSA-N 2 0 265.401 1.071 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000261920931 359089071 /nfs/dbraw/zinc/08/90/71/359089071.db2.gz IYTRARABKHRXGT-UONOGXRCSA-N 2 0 279.428 1.367 10 0 CDAERP C[NH2+]C[C@@H]1CCN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)C1 ZINC000335251319 359113652 /nfs/dbraw/zinc/11/36/52/359113652.db2.gz HFCAYIXOARUVOT-ZDUSSCGKSA-N 2 0 287.407 1.056 10 0 CDAERP C[C@@]1(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)CC[NH2+]C1 ZINC000262000947 359119046 /nfs/dbraw/zinc/11/90/46/359119046.db2.gz LGTXBGZOBABYIB-QGZVFWFLSA-N 2 0 293.455 1.711 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]CC2(CF)CCOCC2)CN1C1CC1 ZINC000449488865 359133827 /nfs/dbraw/zinc/13/38/27/359133827.db2.gz LVHUQXNFMGGZJQ-QWHCGFSZSA-N 2 0 270.392 1.968 10 0 CDAERP CC[NH+](CC)CCNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000365426802 359425699 /nfs/dbraw/zinc/42/56/99/359425699.db2.gz YVMDJUONSOXNKK-UHFFFAOYSA-N 2 0 296.459 1.644 10 0 CDAERP Cn1cncc1CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000347739172 359561537 /nfs/dbraw/zinc/56/15/37/359561537.db2.gz PCXKKWKLBRXBHU-UHFFFAOYSA-N 2 0 276.428 1.770 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NC(C)(C)CC[NH3+] ZINC000422599188 359644484 /nfs/dbraw/zinc/64/44/84/359644484.db2.gz PRXAVHNLPHSVQS-CHWSQXEVSA-N 2 0 284.448 1.676 10 0 CDAERP O=C1CCCN1CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422766132 359654232 /nfs/dbraw/zinc/65/42/32/359654232.db2.gz LJVNCPZGWCWGCI-RBSFLKMASA-N 2 0 279.428 1.509 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000422883490 359667445 /nfs/dbraw/zinc/66/74/45/359667445.db2.gz CIEIEZLSOFVELT-OWYFMNJBSA-N 2 0 283.460 1.591 10 0 CDAERP CC[C@@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000572608326 363664593 /nfs/dbraw/zinc/66/45/93/363664593.db2.gz QQDCRDGTZFVNKV-IAGOWNOFSA-N 2 0 291.439 1.336 10 0 CDAERP COc1cccc(CC[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)n1 ZINC000423007928 359737900 /nfs/dbraw/zinc/73/79/00/359737900.db2.gz RVTWJGSISKCMDN-TZMCWYRMSA-N 2 0 263.385 1.610 10 0 CDAERP C[C@H]1C[C@H](Nc2ccc(N3CC[NH2+]CC3)cn2)CC[N@@H+]1C ZINC000423230745 359759517 /nfs/dbraw/zinc/75/95/17/359759517.db2.gz JWBDGEXOQKZZBX-UONOGXRCSA-N 3 0 289.427 1.386 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000348064780 359767948 /nfs/dbraw/zinc/76/79/48/359767948.db2.gz ABTDYANARSVQJU-AWEZNQCLSA-N 2 0 267.417 1.413 10 0 CDAERP CCOC(=O)C1([C@H](C)N[C@H]2CCCC[NH2+]C2)CC[NH2+]CC1 ZINC000423555923 359856669 /nfs/dbraw/zinc/85/66/69/359856669.db2.gz MDJGLUNNSNURSV-KBPBESRZSA-N 2 0 297.443 1.040 10 0 CDAERP OC[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccnc1 ZINC000348209633 359881764 /nfs/dbraw/zinc/88/17/64/359881764.db2.gz ZKIAYARHGMGWMB-ARFHVFGLSA-N 2 0 275.396 1.374 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000456533301 363702216 /nfs/dbraw/zinc/70/22/16/363702216.db2.gz QSJFSIHLQJLKSH-ILXRZTDVSA-N 2 0 281.444 1.659 10 0 CDAERP C[C@@H](O)C[NH+]1CCC(C[NH2+]CC2CCCC2)CC1 ZINC000069653308 359965490 /nfs/dbraw/zinc/96/54/90/359965490.db2.gz ZGZOSVNXWMRPHH-CYBMUJFWSA-N 2 0 254.418 1.859 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)[C@@]2(CC)CC[NH2+]C2)CC1 ZINC000062891693 360010050 /nfs/dbraw/zinc/01/00/50/360010050.db2.gz XEAKUVPZDMORAC-INIZCTEOSA-N 2 0 281.444 1.757 10 0 CDAERP CCC(C)(C)NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063201029 360085185 /nfs/dbraw/zinc/08/51/85/360085185.db2.gz INXXKGIYZIDSHZ-AWEZNQCLSA-N 2 0 281.444 1.755 10 0 CDAERP CCNC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)C1 ZINC000090410056 360212647 /nfs/dbraw/zinc/21/26/47/360212647.db2.gz LUVCIMRLAIPTTR-IHRRRGAJSA-N 2 0 282.432 1.110 10 0 CDAERP [NH3+]C1(CNC(=O)NC2CC([NH+]3CCCCC3)C2)CCC1 ZINC000514721962 360363189 /nfs/dbraw/zinc/36/31/89/360363189.db2.gz IMNADSFCGMVNES-UHFFFAOYSA-N 2 0 280.416 1.184 10 0 CDAERP CC[C@H](C(=O)N1CC2CCC1(C[NH3+])CC2)[NH+](CC)CC ZINC000516190808 360570129 /nfs/dbraw/zinc/57/01/29/360570129.db2.gz OCAVTWGQXBHNDI-NPCAHTBFSA-N 2 0 281.444 1.837 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000626932571 360650674 /nfs/dbraw/zinc/65/06/74/360650674.db2.gz CLMUFCZNWOWWSV-CHWSQXEVSA-N 2 0 282.432 1.301 10 0 CDAERP CC[NH+](CC)CCCN(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000338302085 360830564 /nfs/dbraw/zinc/83/05/64/360830564.db2.gz AHIVFOITJOTCFD-ZDUSSCGKSA-N 2 0 276.446 1.085 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000349661272 360926248 /nfs/dbraw/zinc/92/62/48/360926248.db2.gz HPFAVRZRJAHEFT-UKRRQHHQSA-N 2 0 296.459 1.595 10 0 CDAERP C[C@@H]([NH3+])c1ccc(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000335030316 296029975 /nfs/dbraw/zinc/02/99/75/296029975.db2.gz BTDDIIVVNKOYFQ-BXKDBHETSA-N 2 0 283.322 1.433 10 0 CDAERP C[C@H]1CC[NH2+]C[C@H]1NC1CC[NH+](CCC(F)(F)F)CC1 ZINC000414936570 370681769 /nfs/dbraw/zinc/68/17/69/370681769.db2.gz VAYREEZQXCCGHN-WCQYABFASA-N 2 0 293.377 1.991 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000457683270 364100356 /nfs/dbraw/zinc/10/03/56/364100356.db2.gz CFNNQCJMTQFIOR-HUUCEWRRSA-N 2 0 298.475 1.841 10 0 CDAERP C[C@@H]([NH2+]CCc1ccc2c(c1)OCCO2)[C@H]1CC[NH2+]C1 ZINC000400353488 239478028 /nfs/dbraw/zinc/47/80/28/239478028.db2.gz AITVYUDRDRXATC-OCCSQVGLSA-N 2 0 276.380 1.588 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)CCCN1CCOCC1 ZINC000175356500 364392562 /nfs/dbraw/zinc/39/25/62/364392562.db2.gz JWEQHGITILBGCL-OAHLLOKOSA-N 2 0 269.433 1.125 10 0 CDAERP CC(C)[NH2+]CCN1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000375599095 364719303 /nfs/dbraw/zinc/71/93/03/364719303.db2.gz RWBUXRSLUSUKIY-OAHLLOKOSA-N 2 0 253.434 1.935 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H](C)C1 ZINC000469705422 364784964 /nfs/dbraw/zinc/78/49/64/364784964.db2.gz KPVHGSZZCZVHJZ-UGUYLWEFSA-N 2 0 295.471 1.905 10 0 CDAERP CCc1nccn1[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC000164345284 364806933 /nfs/dbraw/zinc/80/69/33/364806933.db2.gz ZWNVSWZUIPYKDD-UONOGXRCSA-N 2 0 292.427 1.949 10 0 CDAERP COCc1ccc(C[NH2+][C@H]2CCc3nc[nH]c3C2)o1 ZINC000353240750 365084021 /nfs/dbraw/zinc/08/40/21/365084021.db2.gz JYGMFWVJNZDUKX-JTQLQIEISA-N 2 0 261.325 1.796 10 0 CDAERP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)[C@H]([NH3+])CC(F)F ZINC000567736977 365270868 /nfs/dbraw/zinc/27/08/68/365270868.db2.gz GETBVQYNVYRRQB-VXGBXAGGSA-N 2 0 283.322 1.054 10 0 CDAERP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)[C@H]1C[C@H]1C ZINC000414055684 241047434 /nfs/dbraw/zinc/04/74/34/241047434.db2.gz CVQWFCZMWYKKEU-YCPHGPKFSA-N 2 0 288.439 1.968 10 0 CDAERP Cc1ccccc1C(=O)NC1CC[NH+](CCC[NH3+])CC1 ZINC000414682130 241319352 /nfs/dbraw/zinc/31/93/52/241319352.db2.gz XTWPYRMOELJFTO-UHFFFAOYSA-N 2 0 275.396 1.538 10 0 CDAERP C[C@@H]1C[C@@H](C[N@@H+]2CCSC[C@@H]2CCO)CC[NH2+]1 ZINC000414754208 241369822 /nfs/dbraw/zinc/36/98/22/241369822.db2.gz NPBFKVUKYSRCEB-AGIUHOORSA-N 2 0 258.431 1.174 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000626979943 367124018 /nfs/dbraw/zinc/12/40/18/367124018.db2.gz NDHSUMPHWFVQIM-BFHYXJOUSA-N 2 0 298.475 1.793 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000516781930 367183399 /nfs/dbraw/zinc/18/33/99/367183399.db2.gz BLYZGSRJKOVBES-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000626992075 367189103 /nfs/dbraw/zinc/18/91/03/367189103.db2.gz OZFSOWOAVRNQJZ-STQMWFEESA-N 2 0 270.421 1.158 10 0 CDAERP C[C@@H]1C[N@H+](C)C[C@H]1NCC(C)(C)C[NH+]1CCCC1 ZINC000357884752 367278087 /nfs/dbraw/zinc/27/80/87/367278087.db2.gz VFGQGXQDKUSKAB-ZIAGYGMSSA-N 2 0 253.434 1.648 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627038979 367280761 /nfs/dbraw/zinc/28/07/61/367280761.db2.gz XQBYVILETCNTOS-FRRDWIJNSA-N 2 0 270.421 1.155 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000627013791 367237348 /nfs/dbraw/zinc/23/73/48/367237348.db2.gz QEDDBSFJJUHTFH-QLFBSQMISA-N 2 0 296.459 1.691 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC1([NH3+])CCCCC1 ZINC000627069878 367340087 /nfs/dbraw/zinc/34/00/87/367340087.db2.gz ZOEJJAYLVSOVEF-NWDGAFQWSA-N 2 0 268.405 1.088 10 0 CDAERP C[C@H]1[N@H+](Cc2ccccc2)CC[C@]12C[NH+]=C(N)N2C ZINC000307283089 367394918 /nfs/dbraw/zinc/39/49/18/367394918.db2.gz JGEOAIBJMWHFOQ-DOMZBBRYSA-N 2 0 258.369 1.280 10 0 CDAERP C[C@H]1CC[C@@H](NC(=O)NCc2ccc3c(c2)C[NH2+]C3)C[NH2+]1 ZINC000627086728 367407303 /nfs/dbraw/zinc/40/73/03/367407303.db2.gz CKARMQNJYQKVKC-XHDPSFHLSA-N 2 0 288.395 1.230 10 0 CDAERP CC[NH+](CC)CCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000416788669 242135738 /nfs/dbraw/zinc/13/57/38/242135738.db2.gz IXZJDRIAEAOLCS-PBWFPOADSA-N 2 0 282.432 1.253 10 0 CDAERP C[C@@H](NC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)[C@H](C)[NH3+] ZINC000416839610 242180503 /nfs/dbraw/zinc/18/05/03/242180503.db2.gz KDSWWPONCAQJNY-WDMOLILDSA-N 2 0 296.390 1.463 10 0 CDAERP CC1CC[NH+](CCCNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000416869378 242199314 /nfs/dbraw/zinc/19/93/14/242199314.db2.gz GZQMPWDMGGXXLS-LSDHHAIUSA-N 2 0 296.459 1.406 10 0 CDAERP O=C(NCCC[NH+]1CCCCC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000416871948 242200553 /nfs/dbraw/zinc/20/05/53/242200553.db2.gz LDTRZOATPSYACE-GASCZTMLSA-N 2 0 294.443 1.398 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000417012874 242268566 /nfs/dbraw/zinc/26/85/66/242268566.db2.gz XVFYLIUNZZUNCK-JHJVBQTASA-N 2 0 270.421 1.014 10 0 CDAERP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCCC[NH3+] ZINC000416969857 242247211 /nfs/dbraw/zinc/24/72/11/242247211.db2.gz LQFBAZOPLNPDNJ-UHFFFAOYSA-N 2 0 292.427 1.675 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N2CC[NH+](C3CCCC3)CC2)C[NH2+]1 ZINC000627195096 367680874 /nfs/dbraw/zinc/68/08/74/367680874.db2.gz JKHVJONDEIGPPQ-KGLIPLIRSA-N 2 0 294.443 1.397 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)C[NH2+]1 ZINC000627197678 367685490 /nfs/dbraw/zinc/68/54/90/367685490.db2.gz FFIBZONKSCNUCN-MQYQWHSLSA-N 2 0 282.432 1.251 10 0 CDAERP CCC[NH+](CCC)CCCNC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000417464888 242484755 /nfs/dbraw/zinc/48/47/55/242484755.db2.gz HBQWPGIUUPOIJS-GJZGRUSLSA-N 2 0 298.475 1.796 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)C1=CC[C@H]([NH3+])C1)c1cccs1 ZINC000638049602 367785205 /nfs/dbraw/zinc/78/52/05/367785205.db2.gz NARPSDVTDDPJDB-NWDGAFQWSA-N 2 0 279.409 1.515 10 0 CDAERP O=C([C@H]1CCC[NH2+]C1)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000167770422 296110799 /nfs/dbraw/zinc/11/07/99/296110799.db2.gz MLSQECODLZLTEH-LSDHHAIUSA-N 2 0 279.428 1.463 10 0 CDAERP CCC[C@H](C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)[NH+](C)C ZINC000125771688 368244888 /nfs/dbraw/zinc/24/48/88/368244888.db2.gz SKMJQKWBTUAFOE-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP [NH3+][C@@H]1CC=C(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000638103229 368365439 /nfs/dbraw/zinc/36/54/39/368365439.db2.gz LUYIZSSKJZIXBK-KGLIPLIRSA-N 2 0 263.385 1.121 10 0 CDAERP C[C@@H]1CCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)C[C@@H]1C[NH3+] ZINC000418449411 243091737 /nfs/dbraw/zinc/09/17/37/243091737.db2.gz KEFYICWIEYTCBX-VHDGCEQUSA-N 2 0 290.411 1.313 10 0 CDAERP C[C@]1(CNC(=O)NC[C@@H]([NH3+])c2ccccc2)CCC[NH2+]C1 ZINC000418456533 243102291 /nfs/dbraw/zinc/10/22/91/243102291.db2.gz TUAOXPVDMFUZAO-ZBFHGGJFSA-N 2 0 290.411 1.375 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000418711243 243365650 /nfs/dbraw/zinc/36/56/50/243365650.db2.gz WGPSGQKSYBOYBC-IGQOVBAYSA-N 2 0 282.432 1.286 10 0 CDAERP C[C@H](C[NH3+])C[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000414877867 368629736 /nfs/dbraw/zinc/62/97/36/368629736.db2.gz NKHGQXHIUHVUQX-SNVBAGLBSA-N 2 0 262.382 1.890 10 0 CDAERP CCn1nccc1CC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000368351433 369445471 /nfs/dbraw/zinc/44/54/71/369445471.db2.gz GRXYVSUEUYSTLO-HNNXBMFYSA-N 2 0 262.401 1.473 10 0 CDAERP C[N@H+](Cc1cn(C[C@@H]2C[NH2+]CCO2)nn1)C1CCCCC1 ZINC000630616806 369428444 /nfs/dbraw/zinc/42/84/44/369428444.db2.gz NMWDLLJJEXPWJH-HNNXBMFYSA-N 2 0 293.415 1.031 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000170833574 369685359 /nfs/dbraw/zinc/68/53/59/369685359.db2.gz KXBNJOUURAABHC-KBPBESRZSA-N 2 0 282.432 1.064 10 0 CDAERP Cc1ccc(O)c(C[N@@H+](C)CCCN(C)CC[NH+](C)C)n1 ZINC000290213814 369831153 /nfs/dbraw/zinc/83/11/53/369831153.db2.gz QUGYHMMFKVIIPU-UHFFFAOYSA-N 2 0 294.443 1.411 10 0 CDAERP CSCC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371292866 370242513 /nfs/dbraw/zinc/24/25/13/370242513.db2.gz DQRLNTHXGXLRGE-RWMBFGLXSA-N 2 0 258.431 1.533 10 0 CDAERP C[C@H]([NH3+])[C@@H]1CCCN(Cc2nnc(C3CCC3)n2C)C1 ZINC000564988806 370318271 /nfs/dbraw/zinc/31/82/71/370318271.db2.gz KCMUGHBUEZQEJG-WCQYABFASA-N 2 0 277.416 1.642 10 0 CDAERP O[C@@H]1C[NH+](CCCCC[N@H+]2C[C@@H](O)C3(CC3)C2)CC12CC2 ZINC000372289485 370474357 /nfs/dbraw/zinc/47/43/57/370474357.db2.gz PHVSPPYABYMOCW-HUUCEWRRSA-N 2 0 294.439 1.070 10 0 CDAERP CC[NH+]1CCC(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000643453722 370580517 /nfs/dbraw/zinc/58/05/17/370580517.db2.gz VTPJKKOXGLRHJZ-DZGCQCFKSA-N 3 0 253.434 1.696 10 0 CDAERP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2C[C@@H]2C)CC[NH2+]CC1 ZINC000422709947 245167385 /nfs/dbraw/zinc/16/73/85/245167385.db2.gz ZYQVJKSEUKYJLY-AVGNSLFASA-N 2 0 268.401 1.553 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)CCO)[C@H]2CCC[C@@H]21 ZINC000375860267 371005225 /nfs/dbraw/zinc/00/52/25/371005225.db2.gz HMJHWYOTZGIKAB-RDBSUJKOSA-N 2 0 254.418 1.857 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])CC1 ZINC000422743835 245205761 /nfs/dbraw/zinc/20/57/61/245205761.db2.gz RYPMMXSANNUIMY-CWRNSKLLSA-N 3 0 283.460 1.450 10 0 CDAERP CC[N@H+](C)C[C@H](O)C[NH2+][C@@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000567624042 371071216 /nfs/dbraw/zinc/07/12/16/371071216.db2.gz CEEILWGMDAEECB-LZWOXQAQSA-N 2 0 286.460 1.466 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCN1CCc2ccccc2C1 ZINC000422811427 245285712 /nfs/dbraw/zinc/28/57/12/245285712.db2.gz VYHAGRJGGUMIIL-KRWDZBQOSA-N 2 0 291.439 1.388 10 0 CDAERP CN(C)c1ncccc1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000422862702 245348920 /nfs/dbraw/zinc/34/89/20/245348920.db2.gz NZBRILKKTWEWMQ-UHFFFAOYSA-N 2 0 262.401 1.755 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cnccc1N ZINC000422870972 245357556 /nfs/dbraw/zinc/35/75/56/245357556.db2.gz YDYWOLAZNIJPJN-CHWSQXEVSA-N 2 0 280.416 1.502 10 0 CDAERP CCn1ccnc1CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000295697833 371409908 /nfs/dbraw/zinc/40/99/08/371409908.db2.gz NWBDBGRAJISPMI-HNNXBMFYSA-N 2 0 296.390 1.732 10 0 CDAERP COC[C@@H](C)C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000573407409 371532525 /nfs/dbraw/zinc/53/25/25/371532525.db2.gz MEHTYAAKOGBPRE-ZFWWWQNUSA-N 2 0 254.418 1.933 10 0 CDAERP O=C(NCCC[NH+]1CCCCCC1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653105727 541856078 /nfs/dbraw/zinc/85/60/78/541856078.db2.gz HNCSQRFSCRQWPL-JKSUJKDBSA-N 2 0 293.455 1.899 10 0 CDAERP C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)CC1(C)COC1 ZINC000628423846 371891788 /nfs/dbraw/zinc/89/17/88/371891788.db2.gz NFGBFFQNJRTRFM-UHFFFAOYSA-N 2 0 272.352 1.736 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H]1CCC[NH+](C)C1 ZINC000176344102 372006560 /nfs/dbraw/zinc/00/65/60/372006560.db2.gz OTTSAKCASAZMKV-GJZGRUSLSA-N 2 0 296.459 1.454 10 0 CDAERP Cc1ccncc1N1CC[NH+](CCCn2ccnc2)CC1 ZINC000340598181 372076051 /nfs/dbraw/zinc/07/60/51/372076051.db2.gz VFNFWVFHZDEENZ-UHFFFAOYSA-N 2 0 285.395 1.799 10 0 CDAERP CC[NH+](CC)[C@@H](C)CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000173831123 372540805 /nfs/dbraw/zinc/54/08/05/372540805.db2.gz FAOKIDQCSPDKQU-ZNMIVQPWSA-N 2 0 296.459 1.595 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000176579540 372757627 /nfs/dbraw/zinc/75/76/27/372757627.db2.gz SPQDPYYBDGFQES-RRFJBIMHSA-N 2 0 294.443 1.349 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333381116 205273014 /nfs/dbraw/zinc/27/30/14/205273014.db2.gz NNFVFUWVPNQXAB-KGLIPLIRSA-N 2 0 282.432 1.302 10 0 CDAERP C[N@H+](CCNC(=O)[C@@]1(C)CCC[NH2+]1)Cc1ccccc1 ZINC000386836075 373444457 /nfs/dbraw/zinc/44/44/57/373444457.db2.gz WUYULIKXVJXOKG-MRXNPFEDSA-N 2 0 275.396 1.377 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC[NH2+]1 ZINC000584527984 373944474 /nfs/dbraw/zinc/94/44/74/373944474.db2.gz SYMAKFFUNKDRDL-XQLPTFJDSA-N 2 0 279.428 1.223 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000418560171 374410507 /nfs/dbraw/zinc/41/05/07/374410507.db2.gz RKCMYMWWMBRCES-QPSCCSFWSA-N 2 0 294.443 1.110 10 0 CDAERP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424377946 246463792 /nfs/dbraw/zinc/46/37/92/246463792.db2.gz NFMJIAYLSQRJRE-HWKXDMQWSA-N 2 0 252.402 1.765 10 0 CDAERP C[C@@H](CC[NH+](C)C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426407906 247017881 /nfs/dbraw/zinc/01/78/81/247017881.db2.gz AADCUEFBSJJZNI-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP c1cc(C[NH2+]CC[C@H]2CCCO2)n(-c2cc[nH+]cc2)n1 ZINC000657304807 542005936 /nfs/dbraw/zinc/00/59/36/542005936.db2.gz RFNIIWQKOZCPMF-OAHLLOKOSA-N 2 0 272.352 1.926 10 0 CDAERP C[N@H+]1C[C@@H]2C[NH+](C[C@H](O)COCc3cccs3)C[C@@H]2C1 ZINC000193644878 375884727 /nfs/dbraw/zinc/88/47/27/375884727.db2.gz YONRSJRFFONPEC-MJBXVCDLSA-N 2 0 296.436 1.119 10 0 CDAERP CCC[C@@H]([NH3+])C(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000638975240 376326754 /nfs/dbraw/zinc/32/67/54/376326754.db2.gz HLAQMRWGVQZWGE-GFCCVEGCSA-N 2 0 255.406 1.447 10 0 CDAERP Cc1cc(C)c(C[N@H+](C)CCN2CC[NH2+]CC2)c(C)n1 ZINC000631821705 376642769 /nfs/dbraw/zinc/64/27/69/376642769.db2.gz GPSHTGUCCHWSID-UHFFFAOYSA-N 2 0 276.428 1.344 10 0 CDAERP C[C@@H](NC(=O)[C@@H](C)N1CC[C@@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000631823942 376650299 /nfs/dbraw/zinc/65/02/99/376650299.db2.gz RDWXLLFSESROIP-DSJMHWKBSA-N 2 0 289.423 1.921 10 0 CDAERP COc1cccc(NC(=O)CC[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000631839510 376690266 /nfs/dbraw/zinc/69/02/66/376690266.db2.gz HFUPMHAEHZXZCG-CHWSQXEVSA-N 2 0 291.395 1.550 10 0 CDAERP CC[NH+](CC)[C@@H](C)CNC(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000071932674 376784403 /nfs/dbraw/zinc/78/44/03/376784403.db2.gz JMVLYEABNDSCAH-GJZGRUSLSA-N 2 0 298.475 1.748 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)CC[N@@H+]1C ZINC000631881924 376771039 /nfs/dbraw/zinc/77/10/39/376771039.db2.gz MBGNLCRCABREJU-CAOSSQGBSA-N 2 0 293.455 1.659 10 0 CDAERP CC[NH+](CC)CCCNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000416822318 284597998 /nfs/dbraw/zinc/59/79/98/284597998.db2.gz VSVHHYDNQYQDBD-KGLIPLIRSA-N 2 0 282.432 1.112 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](CC)[C@@H](C)C2)CC[N@@H+]1C ZINC000632092900 376999267 /nfs/dbraw/zinc/99/92/67/376999267.db2.gz NPHRVWALJAULBC-MELADBBJSA-N 2 0 267.417 1.269 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](C3CC3)CC2)CC[N@@H+]1C ZINC000334782833 377531423 /nfs/dbraw/zinc/53/14/23/377531423.db2.gz GGMNGPDHNTZESX-STQMWFEESA-N 2 0 279.428 1.460 10 0 CDAERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000571874603 377560711 /nfs/dbraw/zinc/56/07/11/377560711.db2.gz AJIYWXORUJEJSU-BRWVUGGUSA-N 2 0 295.471 1.153 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)NC/C=C\C[NH3+])CC1 ZINC000669433426 483093614 /nfs/dbraw/zinc/09/36/14/483093614.db2.gz OOSPDESCPIIXMT-PLNGDYQASA-N 2 0 268.405 1.065 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000436311735 249395273 /nfs/dbraw/zinc/39/52/73/249395273.db2.gz URQOSUHFRCNPRZ-LXTVHRRPSA-N 2 0 280.412 1.935 10 0 CDAERP O=C(c1ccc2nccn2c1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000632861898 377939262 /nfs/dbraw/zinc/93/92/62/377939262.db2.gz VQKQSNXHFMTDCM-GXTWGEPZSA-N 2 0 284.363 1.548 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000417538204 377911954 /nfs/dbraw/zinc/91/19/54/377911954.db2.gz UBTIWUXKPGDSCD-OKILXGFUSA-N 2 0 296.459 1.643 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@H]1CCC[NH+](CC)C1 ZINC000245392034 378084603 /nfs/dbraw/zinc/08/46/03/378084603.db2.gz ACOOQWOQEOSGHJ-KGLIPLIRSA-N 2 0 284.448 1.500 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)CC[C@@H](C)[NH3+] ZINC000193316383 378273057 /nfs/dbraw/zinc/27/30/57/378273057.db2.gz FKUHLDCGDUKPEK-CHWSQXEVSA-N 2 0 255.406 1.495 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000193315346 378273269 /nfs/dbraw/zinc/27/32/69/378273269.db2.gz HLINEZRNRIRBHJ-LLVKDONJSA-N 2 0 281.375 1.631 10 0 CDAERP C[NH2+]CC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000193139377 378245211 /nfs/dbraw/zinc/24/52/11/378245211.db2.gz YUMZAFQMXJASGJ-TZMCWYRMSA-N 2 0 281.787 1.421 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CC23CC[NH2+]CC3)CC[N@@H+]1C ZINC000137259878 378594155 /nfs/dbraw/zinc/59/41/55/378594155.db2.gz BCRORACECWDRTI-MCIONIFRSA-N 2 0 279.428 1.317 10 0 CDAERP CC[C@@H]1CN(C(=O)NCC2([NH3+])CCCCCC2)CC[C@H]1[NH3+] ZINC000634047470 378986859 /nfs/dbraw/zinc/98/68/59/378986859.db2.gz KWHQVJMJFAMMIW-ZIAGYGMSSA-N 2 0 296.459 1.807 10 0 CDAERP CO[C@H](C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2)[C@H]1CCOC1 ZINC000660638864 412900234 /nfs/dbraw/zinc/90/02/34/412900234.db2.gz DTACTYUHPUSLIA-ARFHVFGLSA-N 2 0 282.428 1.456 10 0 CDAERP CN(CCC1CC[NH2+]CC1)[C@H](C[NH3+])C(F)(F)F ZINC000662330684 412900219 /nfs/dbraw/zinc/90/02/19/412900219.db2.gz AVJOUGNRBGXJFY-SNVBAGLBSA-N 2 0 253.312 1.198 10 0 CDAERP CC[NH2+]CC1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000418585568 535454824 /nfs/dbraw/zinc/45/48/24/535454824.db2.gz YPJIDPOZSDDCDG-TZMCWYRMSA-N 2 0 282.432 1.016 10 0 CDAERP CC(C)[C@H]1CN(C(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])CC[N@@H+]1C ZINC000634300715 379359185 /nfs/dbraw/zinc/35/91/85/379359185.db2.gz JAFRYTWQEMFVLJ-SQWLQELKSA-N 2 0 281.444 1.693 10 0 CDAERP CC(C)[NH2+]CCC(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000634300834 379359388 /nfs/dbraw/zinc/35/93/88/379359388.db2.gz MVGITOGGBOUOBM-CYBMUJFWSA-N 2 0 255.406 1.173 10 0 CDAERP COCCN1CC[C@H]([NH2+]CCc2cnc(C3CC3)nc2)C1 ZINC000344322142 379554725 /nfs/dbraw/zinc/55/47/25/379554725.db2.gz GUFFEOQKODYDAJ-HNNXBMFYSA-N 2 0 290.411 1.207 10 0 CDAERP CCC[NH+]1CCC(NC(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655921447 412931762 /nfs/dbraw/zinc/93/17/62/412931762.db2.gz XFXLKGIAOKYGGQ-JTQLQIEISA-N 2 0 296.337 1.050 10 0 CDAERP C[N@H+](CCCc1c(F)cccc1F)C[C@@H](O)C[NH3+] ZINC000655941108 412954300 /nfs/dbraw/zinc/95/43/00/412954300.db2.gz MIQNQVUZWCROFF-JTQLQIEISA-N 2 0 258.312 1.149 10 0 CDAERP COC1([C@H](C)[NH2+]CC(C)(C)C[NH+](C)C)CCOCC1 ZINC000453050808 252262016 /nfs/dbraw/zinc/26/20/16/252262016.db2.gz ANQYQOIZKHPYES-ZDUSSCGKSA-N 2 0 272.433 1.748 10 0 CDAERP C[C@@H]([NH3+])C1CCN(C(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000662408994 412976467 /nfs/dbraw/zinc/97/64/67/412976467.db2.gz CQDOQTBIQROWHN-LLVKDONJSA-N 2 0 265.401 1.247 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662437205 413017719 /nfs/dbraw/zinc/01/77/19/413017719.db2.gz OFQNMQZVMWBXOB-UHFFFAOYSA-N 2 0 294.399 1.212 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccccc1C[NH2+]C ZINC000653349681 413024652 /nfs/dbraw/zinc/02/46/52/413024652.db2.gz YCHWDWZFEXDGFH-INIZCTEOSA-N 2 0 289.423 1.897 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@]1(C)CO ZINC000530548591 390238069 /nfs/dbraw/zinc/23/80/69/390238069.db2.gz VFWVOKGBNWYYHF-MRXNPFEDSA-N 2 0 286.379 1.923 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000246962330 390233832 /nfs/dbraw/zinc/23/38/32/390233832.db2.gz OKESSIWFESILSB-GJZGRUSLSA-N 2 0 279.428 1.556 10 0 CDAERP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CC[NH2+]C2)o1 ZINC000646967838 390322292 /nfs/dbraw/zinc/32/22/92/390322292.db2.gz NYSFHILANSDKBR-GFCCVEGCSA-N 2 0 279.384 1.461 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCOc2ccc(F)cc21 ZINC000422960008 285374696 /nfs/dbraw/zinc/37/46/96/285374696.db2.gz VCYRYNNDMRHPKW-JSGCOSHPSA-N 2 0 282.359 1.993 10 0 CDAERP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCCSCC2)CC1 ZINC000657831575 413047612 /nfs/dbraw/zinc/04/76/12/413047612.db2.gz BNUDCMZUDYLOAP-CQSZACIVSA-N 2 0 285.501 1.888 10 0 CDAERP CCC[NH2+][C@H](C)C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000648209880 390952543 /nfs/dbraw/zinc/95/25/43/390952543.db2.gz DRXULGKUVMPZRQ-VXGBXAGGSA-N 2 0 253.390 1.165 10 0 CDAERP [NH3+][C@H]1CC[C@@H](C(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000237867584 390885196 /nfs/dbraw/zinc/88/51/96/390885196.db2.gz WRLDUMOULYMTRR-ZBFHGGJFSA-N 2 0 287.407 1.288 10 0 CDAERP [NH3+][C@@H]1CC[C@@H](C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC000237937031 390891779 /nfs/dbraw/zinc/89/17/79/390891779.db2.gz NSLPJWOPTRHQQA-RRFJBIMHSA-N 2 0 279.428 1.448 10 0 CDAERP CC(C)C[C@H]([NH3+])CN[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000415090690 391013314 /nfs/dbraw/zinc/01/33/14/391013314.db2.gz ZFSWLZMFRYNLSR-WDEREUQCSA-N 2 0 295.349 1.503 10 0 CDAERP C[N@H+](CC(=O)N1CC[NH2+]CC1)CC(C)(C)c1ccccc1 ZINC000647486168 390968726 /nfs/dbraw/zinc/96/87/26/390968726.db2.gz XPSYCQCVMPPVAG-UHFFFAOYSA-N 2 0 289.423 1.328 10 0 CDAERP CC(C)[C@@H](C)NC(=O)C1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000647883365 391141242 /nfs/dbraw/zinc/14/12/42/391141242.db2.gz JWUFBGFGAGYAGB-KGLIPLIRSA-N 2 0 281.444 1.469 10 0 CDAERP CCc1nn(C)cc1C[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000385519015 483243377 /nfs/dbraw/zinc/24/33/77/483243377.db2.gz OXFOMWXKRWRUAC-BXUZGUMPSA-N 2 0 250.390 1.399 10 0 CDAERP C[C@]1(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)CCCS1 ZINC000647909948 391256848 /nfs/dbraw/zinc/25/68/48/391256848.db2.gz WENCFWZFAKSTJR-MRXNPFEDSA-N 2 0 297.512 1.986 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000417220531 391346411 /nfs/dbraw/zinc/34/64/11/391346411.db2.gz YOLUAVNFRQFJJS-HOSILWTGSA-N 2 0 296.459 1.628 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000335306124 391409975 /nfs/dbraw/zinc/40/99/75/391409975.db2.gz RDWGMFPFJKKQQJ-OLZOCXBDSA-N 2 0 282.432 1.382 10 0 CDAERP C[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)CC2CCCC2)C1 ZINC000190554812 391442106 /nfs/dbraw/zinc/44/21/06/391442106.db2.gz VVBGCUDUYAZMEV-HUUCEWRRSA-N 2 0 254.418 1.811 10 0 CDAERP CC(C)[NH2+]CCN1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000191472828 391448676 /nfs/dbraw/zinc/44/86/76/391448676.db2.gz FOLFGBHDNXZMLH-HOTGVXAUSA-N 2 0 297.487 1.806 10 0 CDAERP CCCC[C@@H](C[NH3+])NC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000417817045 391483846 /nfs/dbraw/zinc/48/38/46/391483846.db2.gz RCEMPRDVADCGNY-RYUDHWBXSA-N 2 0 255.406 1.398 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@@H]2C[C@H](C)CC[NH2+]2)cc1 ZINC000417808282 391495274 /nfs/dbraw/zinc/49/52/74/391495274.db2.gz FJUSLPCBTUQLKX-JMSVASOKSA-N 2 0 275.396 1.711 10 0 CDAERP C(CC1CC[NH2+]CC1)CN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000647987658 391638139 /nfs/dbraw/zinc/63/81/39/391638139.db2.gz ONSBLNUUURWEGB-GASCZTMLSA-N 2 0 251.418 1.593 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)C[N@H+](C)C(C)C ZINC000126818003 391591918 /nfs/dbraw/zinc/59/19/18/391591918.db2.gz BROQNMGYPKBWSA-CYBMUJFWSA-N 2 0 257.422 1.419 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C)[C@H](C)[NH3+])C1 ZINC000417550803 391656793 /nfs/dbraw/zinc/65/67/93/391656793.db2.gz MISUXCMSUZJKNB-RWMBFGLXSA-N 2 0 270.421 1.142 10 0 CDAERP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@@H](O)C(F)F ZINC000647798869 391660814 /nfs/dbraw/zinc/66/08/14/391660814.db2.gz YLIBAKAEGNZCJA-CSYMLDBXSA-N 2 0 262.344 1.369 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN[C@H](CC[NH3+])C(F)F ZINC000414993352 391693142 /nfs/dbraw/zinc/69/31/42/391693142.db2.gz SASSGGNEHJZECI-CYBMUJFWSA-N 2 0 295.337 1.648 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000361532782 391695265 /nfs/dbraw/zinc/69/52/65/391695265.db2.gz ZBELMWXDFYMLSF-ZBFHGGJFSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@H]([NH2+]C(C)(C)CNC(=O)NCCC[NH3+])c1ccccc1 ZINC000417696966 391751004 /nfs/dbraw/zinc/75/10/04/391751004.db2.gz CVGWYGVLXCGHCZ-ZDUSSCGKSA-N 2 0 292.427 1.764 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000418183223 391789201 /nfs/dbraw/zinc/78/92/01/391789201.db2.gz NZCOCRNQWLNFDA-ABHRYQDASA-N 2 0 292.427 1.713 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418192501 391800329 /nfs/dbraw/zinc/80/03/29/391800329.db2.gz ADRPUETVDAGZJO-KBPBESRZSA-N 2 0 284.448 1.404 10 0 CDAERP CC1CC[NH+](CC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000120436105 391831239 /nfs/dbraw/zinc/83/12/39/391831239.db2.gz IERLMEUDHBSMEY-CABCVRRESA-N 2 0 281.444 1.659 10 0 CDAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](N[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000246282940 391845682 /nfs/dbraw/zinc/84/56/82/391845682.db2.gz TWYFHEJZMSZCBQ-QPSCCSFWSA-N 2 0 253.434 1.787 10 0 CDAERP CC(C)[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000438507493 391932708 /nfs/dbraw/zinc/93/27/08/391932708.db2.gz VXHRQKSATPMVEL-AWEZNQCLSA-N 2 0 293.455 1.707 10 0 CDAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)[C@H]1[NH2+]CC1(C)C ZINC000649303123 391948800 /nfs/dbraw/zinc/94/88/00/391948800.db2.gz YFCPDWLUVHXZQM-HUUCEWRRSA-N 2 0 289.423 1.274 10 0 CDAERP C[C@@H]1CN(C(=O)NC2CCC(C[NH+](C)C)CC2)[C@H](C)C[NH2+]1 ZINC000334925026 391978600 /nfs/dbraw/zinc/97/86/00/391978600.db2.gz QWMKVHIVLYIQRF-LMRVLLHPSA-N 2 0 296.459 1.499 10 0 CDAERP COC[C@@H](CC1CCOCC1)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000657835460 413051460 /nfs/dbraw/zinc/05/14/60/413051460.db2.gz PXFIGEPLUOULEN-HZPDHXFCSA-N 2 0 296.455 1.892 10 0 CDAERP Cc1ccc(NC(=O)COC2(C)C[NH2+]C2)c(C[NH+](C)C)c1 ZINC000649334801 392056663 /nfs/dbraw/zinc/05/66/63/392056663.db2.gz MPBWBYGRAXDZCN-UHFFFAOYSA-N 2 0 291.395 1.374 10 0 CDAERP CC(C)[C@H](O)C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000336786919 392059930 /nfs/dbraw/zinc/05/99/30/392059930.db2.gz JRJAPXXJUQLCET-HUUCEWRRSA-N 2 0 254.418 1.667 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2C[NH2+]CCC2(F)F)CC[N@@H+]1C ZINC000649341057 392068532 /nfs/dbraw/zinc/06/85/32/392068532.db2.gz KABZQCOVVRROFT-IJLUTSLNSA-N 2 0 289.370 1.172 10 0 CDAERP COCCN1CC[C@H]([NH2+]CCC[C@H]2CCOC2)C1 ZINC000402384918 392097613 /nfs/dbraw/zinc/09/76/13/392097613.db2.gz PJPCXRMLKLHSQH-KBPBESRZSA-N 2 0 256.390 1.113 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]C[C@]2(CCO)CCOC2)[C@@H](C)C1 ZINC000345173718 392098120 /nfs/dbraw/zinc/09/81/20/392098120.db2.gz ZZLNCDUXBOYSDT-KKUMJFAQSA-N 2 0 270.417 1.095 10 0 CDAERP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C[NH2+]CC1CC1 ZINC000251658232 392238215 /nfs/dbraw/zinc/23/82/15/392238215.db2.gz GTLRUYBQGBEQAR-JSGCOSHPSA-N 2 0 265.401 1.071 10 0 CDAERP CCOC(=O)c1csc(CC[NH2+][C@H]2CCC[C@H]2C[NH3+])n1 ZINC000423072114 392316809 /nfs/dbraw/zinc/31/68/09/392316809.db2.gz PEFOCERBYLUFKW-QWRGUYRKSA-N 2 0 297.424 1.579 10 0 CDAERP CC[C@H](NCC[N@@H+]1CCCC[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422857370 392267515 /nfs/dbraw/zinc/26/75/15/392267515.db2.gz HFDFZBZRJGGQKN-KKUMJFAQSA-N 2 0 253.434 1.981 10 0 CDAERP CC[C@@H]([NH3+])C(=O)N1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000567910167 392290971 /nfs/dbraw/zinc/29/09/71/392290971.db2.gz BDSIIOGSLAVXII-SWLSCSKDSA-N 2 0 293.386 1.768 10 0 CDAERP C[C@H]([NH2+][C@H]1CC(=O)N(Cc2ccccc2)[C@H]1C)C1C[NH2+]C1 ZINC000423099646 392342946 /nfs/dbraw/zinc/34/29/46/392342946.db2.gz MCRKKDQVVOLTSU-XEZPLFJOSA-N 2 0 287.407 1.374 10 0 CDAERP CC(C)[NH+](CCNC(=O)NCC12CC(C1)C[NH2+]2)C(C)C ZINC000659425790 413052310 /nfs/dbraw/zinc/05/23/10/413052310.db2.gz PZMVMDTVICKYHP-UHFFFAOYSA-N 2 0 282.432 1.156 10 0 CDAERP C[C@H]([NH2+]CC1(CF)CCOCC1)[C@H]1CCCC[NH2+]1 ZINC000423158126 392397964 /nfs/dbraw/zinc/39/79/64/392397964.db2.gz WIOLIVNYJMBBQY-QWHCGFSZSA-N 2 0 258.381 1.873 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000423167661 392407115 /nfs/dbraw/zinc/40/71/15/392407115.db2.gz FKSIASZTVRPEHU-DZGCQCFKSA-N 3 0 258.369 1.941 10 0 CDAERP c1ccc([C@H](C[C@@H]2CCOC2)[NH2+]CC2C[NH2+]C2)cc1 ZINC000423299798 392496854 /nfs/dbraw/zinc/49/68/54/392496854.db2.gz COYMATCAPQZVCX-BBRMVZONSA-N 2 0 260.381 1.963 10 0 CDAERP O=C([C@H]1CCCCC[NH2+]1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000574260874 392553823 /nfs/dbraw/zinc/55/38/23/392553823.db2.gz CIXFULVYCCQDAJ-HIFRSBDPSA-N 2 0 265.401 1.121 10 0 CDAERP C[C@@H]1C[C@@H](N[C@@H]2C[NH2+]CCC2(F)F)C[N@@H+]1C1CC1 ZINC000423464535 392577785 /nfs/dbraw/zinc/57/77/85/392577785.db2.gz BLMRSLUPJZMWTH-CKYFFXLPSA-N 2 0 259.344 1.198 10 0 CDAERP C[C@@H]1CCC[C@@H](C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC000517089015 392833757 /nfs/dbraw/zinc/83/37/57/392833757.db2.gz HESLDDKCYWPLJC-BZUAXINKSA-N 2 0 283.460 1.011 10 0 CDAERP [NH3+]Cc1cc(C(=O)NCCC[NH2+]Cc2cccnc2)co1 ZINC000517234936 392861310 /nfs/dbraw/zinc/86/13/10/392861310.db2.gz VPUYZGOBCVZFNT-UHFFFAOYSA-N 2 0 288.351 1.043 10 0 CDAERP Cc1nccc(N2CC[NH+](C3CC(OC(C)C)C3)CC2)n1 ZINC000459398519 393136056 /nfs/dbraw/zinc/13/60/56/393136056.db2.gz ILTMJDAGXNDRCL-UHFFFAOYSA-N 2 0 290.411 1.863 10 0 CDAERP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[NH+](C)[C@H](C)C2)CC[N@@H+]1C ZINC000648794714 393363655 /nfs/dbraw/zinc/36/36/55/393363655.db2.gz BTEUFRBXQUFEPF-AAVRWANBSA-N 2 0 267.417 1.268 10 0 CDAERP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000548748120 393363690 /nfs/dbraw/zinc/36/36/90/393363690.db2.gz VRIRLZDRTLPZRT-ZQDZILKHSA-N 2 0 281.444 1.515 10 0 CDAERP C[NH+](C)C1CCN(CC[NH2+]C2CC(CF)(CF)C2)CC1 ZINC000657898363 413076723 /nfs/dbraw/zinc/07/67/23/413076723.db2.gz NLMOQRRXPSGDNR-UHFFFAOYSA-N 2 0 289.414 1.690 10 0 CDAERP C[C@@H](CC(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1)C1CC[NH2+]CC1 ZINC000186527660 140063079 /nfs/dbraw/zinc/06/30/79/140063079.db2.gz PRIGHSGHJZNKHM-ZFWWWQNUSA-N 2 0 293.455 1.755 10 0 CDAERP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186527803 140063262 /nfs/dbraw/zinc/06/32/62/140063262.db2.gz ISGSWHKIWGLQMO-DKUMPPAJSA-N 2 0 291.439 1.650 10 0 CDAERP COc1cc([C@@H](C)[NH2+]C[C@@H]2CN(C)CCN2C)ccc1F ZINC000212524881 140159808 /nfs/dbraw/zinc/15/98/08/140159808.db2.gz ZJXRMFFOTPEFRR-TZMCWYRMSA-N 2 0 295.402 1.731 10 0 CDAERP C[C@@H]1CCC[C@](CNC(=O)[C@@H]2CCC[C@H]2[NH3+])([NH+](C)C)C1 ZINC000251943079 140315719 /nfs/dbraw/zinc/31/57/19/140315719.db2.gz WCYKNUIODIKXFV-KQTLUZQSSA-N 2 0 281.444 1.741 10 0 CDAERP c1cn(CCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)nn1 ZINC000252859380 140327954 /nfs/dbraw/zinc/32/79/54/140327954.db2.gz MKCVPANFPDMDRS-RRFJBIMHSA-N 2 0 277.416 1.569 10 0 CDAERP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc2c(c1)sc(=O)n2C ZINC000261785882 140389396 /nfs/dbraw/zinc/38/93/96/140389396.db2.gz FTZPVYHZQAYWEN-CMPLNLGQSA-N 2 0 291.420 1.769 10 0 CDAERP O=C(C[C@H]1CC[NH2+]C1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000662524434 413094462 /nfs/dbraw/zinc/09/44/62/413094462.db2.gz WVVGRWMEFSUNCZ-ILXRZTDVSA-N 2 0 279.428 1.224 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+][C@H]1COC2(CCC2)C1 ZINC000657972081 413114373 /nfs/dbraw/zinc/11/43/73/413114373.db2.gz DNTIHDZQTJOSQE-CQSZACIVSA-N 2 0 270.417 1.646 10 0 CDAERP CC[C@@H]([NH3+])[C@@H](N1CCN(CC[NH+](C)C)CC1)C(C)(C)C ZINC000061642373 522647294 /nfs/dbraw/zinc/64/72/94/522647294.db2.gz CRJYVJBFBLGZFF-HUUCEWRRSA-N 3 0 284.492 1.318 10 0 CDAERP CN(C(=O)[C@@H]1CCC[C@H]([NH3+])C1)[C@H]1C[NH+]2CCC1CC2 ZINC000388668786 397792936 /nfs/dbraw/zinc/79/29/36/397792936.db2.gz BKWGJJJKYVYNGU-RDBSUJKOSA-N 2 0 265.401 1.057 10 0 CDAERP Fc1ccc(N2CCC[N@H+](C[C@H]3[C@@H]4C[NH2+]C[C@H]34)CC2)cc1 ZINC000102003340 397829556 /nfs/dbraw/zinc/82/95/56/397829556.db2.gz ATVTVYLBDOOYQN-FVQHAEBGSA-N 2 0 289.398 1.803 10 0 CDAERP CC1(C)C[C@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)CCO1 ZINC000389273491 397855957 /nfs/dbraw/zinc/85/59/57/397855957.db2.gz IKGOKLNGECGBMU-KGLIPLIRSA-N 2 0 270.417 1.380 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)NCC1=CC[NH+](C)CC1 ZINC000651194164 397873721 /nfs/dbraw/zinc/87/37/21/397873721.db2.gz VVURHKKEFWDVSH-UHFFFAOYSA-N 2 0 296.459 1.525 10 0 CDAERP C[NH+](C)CCN1CCN(c2cc[nH+]c3ccccc32)CC1=O ZINC000651383027 397971178 /nfs/dbraw/zinc/97/11/78/397971178.db2.gz GCRBRUAQBJDPHY-UHFFFAOYSA-N 2 0 298.390 1.445 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000300409257 398095049 /nfs/dbraw/zinc/09/50/49/398095049.db2.gz RYFXBZHONLCNFF-QWHCGFSZSA-N 2 0 255.406 1.210 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000097093126 147120258 /nfs/dbraw/zinc/12/02/58/147120258.db2.gz PKBKVXOCLSVGSJ-RYUDHWBXSA-N 2 0 253.390 1.057 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1cnn(C)c1 ZINC000658110229 413209375 /nfs/dbraw/zinc/20/93/75/413209375.db2.gz WPDNFDBQIMUAKV-KBPBESRZSA-N 2 0 281.448 1.343 10 0 CDAERP Cc1ccn(C2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)n1 ZINC000262097052 149016926 /nfs/dbraw/zinc/01/69/26/149016926.db2.gz VFYJWWIKBNJZCN-OAHLLOKOSA-N 2 0 262.401 1.828 10 0 CDAERP C[NH+](C)C1(CNC(=O)[C@H]([NH3+])C2CCOCC2)CCCCC1 ZINC000262122836 149022390 /nfs/dbraw/zinc/02/23/90/149022390.db2.gz WHPSQNWYFCJXPD-CQSZACIVSA-N 2 0 297.443 1.121 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000335031678 150206813 /nfs/dbraw/zinc/20/68/13/150206813.db2.gz KCMOEGILPHKHHZ-HUUCEWRRSA-N 2 0 293.455 1.709 10 0 CDAERP CN(CC[NH2+]CC1CC1)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001664309140 1172838724 /nfs/dbraw/zinc/83/87/24/1172838724.db2.gz HHQRKXMZGSLCHP-HUUCEWRRSA-N 2 0 281.444 1.565 10 0 CDAERP CC1(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)C[NH2+]C1 ZINC000335060364 150243851 /nfs/dbraw/zinc/24/38/51/150243851.db2.gz NVVKTILZXMFPCB-UHFFFAOYSA-N 2 0 263.316 1.019 10 0 CDAERP C[NH+](C)CC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000335061248 150245018 /nfs/dbraw/zinc/24/50/18/150245018.db2.gz KZHNDVXOGQASIN-KGLIPLIRSA-N 2 0 279.359 1.031 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CCC[C@@H]([NH3+])C2)cc1 ZINC000335196660 150395674 /nfs/dbraw/zinc/39/56/74/150395674.db2.gz RCUSSSCYHQRESZ-BXUZGUMPSA-N 2 0 276.384 1.339 10 0 CDAERP CN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC000335778619 151011790 /nfs/dbraw/zinc/01/17/90/151011790.db2.gz XNLUGHHZVJXKMZ-OAHLLOKOSA-N 2 0 279.428 1.271 10 0 CDAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000336103570 151270672 /nfs/dbraw/zinc/27/06/72/151270672.db2.gz KDMADWPFVQPNFR-HZMBPMFUSA-N 2 0 259.353 1.018 10 0 CDAERP COCC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)C(C)C ZINC001664517316 1172864672 /nfs/dbraw/zinc/86/46/72/1172864672.db2.gz XGHSPBQYJJIGFO-HNNXBMFYSA-N 2 0 299.459 1.334 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+]1CCCC1 ZINC000343777854 152299295 /nfs/dbraw/zinc/29/92/95/152299295.db2.gz KFUIDNDBNVCXSY-HNNXBMFYSA-N 2 0 281.444 1.805 10 0 CDAERP CN1CC[NH+](CC2(C)CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000348311821 153860799 /nfs/dbraw/zinc/86/07/99/153860799.db2.gz JOGIHWVWGJPZGU-UHFFFAOYSA-N 2 0 283.460 1.107 10 0 CDAERP O=C(NCC[NH+]1CCCCC1)C1([NH2+]C2CC2)CCC1 ZINC000662670228 413287124 /nfs/dbraw/zinc/28/71/24/413287124.db2.gz VWFWCHPBLYZEAW-UHFFFAOYSA-N 2 0 265.401 1.263 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N(C)CC1C[NH+](C)C1 ZINC000660610637 413290665 /nfs/dbraw/zinc/29/06/65/413290665.db2.gz BEHMBVMFRGRSCK-KBPBESRZSA-N 2 0 296.459 1.452 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](Cc2ccnn2C)CC1 ZINC000350176372 154345308 /nfs/dbraw/zinc/34/53/08/154345308.db2.gz MGBGOWVBUVQHLT-UHFFFAOYSA-N 2 0 264.417 1.974 10 0 CDAERP [NH3+]C1(CC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000662674424 413294388 /nfs/dbraw/zinc/29/43/88/413294388.db2.gz AVGLFSMXQNCQFM-UHFFFAOYSA-N 2 0 287.407 1.780 10 0 CDAERP CC(C)([NH3+])c1cc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)on1 ZINC000662681616 413303596 /nfs/dbraw/zinc/30/35/96/413303596.db2.gz KFPKMUUBSINYCD-GHMZBOCLSA-N 2 0 292.383 1.225 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CCOC2)[C@H]2CCC[C@H]21 ZINC000353693096 156018193 /nfs/dbraw/zinc/01/81/93/156018193.db2.gz WUHCODIJACNZNJ-APIJFGDWSA-N 2 0 252.402 1.875 10 0 CDAERP C[C@@H](CNC(=O)N(C)CC1C[NH+](C)C1)[N@@H+]1CCC[C@H](C)C1 ZINC000660641842 413319810 /nfs/dbraw/zinc/31/98/10/413319810.db2.gz KUARRKQVQYPYJA-KBPBESRZSA-N 2 0 296.459 1.310 10 0 CDAERP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@@H]3CCC(=O)N3)CC2)C1 ZINC000658259285 413320020 /nfs/dbraw/zinc/32/00/20/413320020.db2.gz KAXDJYCPWNUTQY-VNQPRFMTSA-N 2 0 293.455 1.898 10 0 CDAERP CC[NH+](CC)CCSCC(=O)N1CC[NH+]2CCC1CC2 ZINC000375513053 160388332 /nfs/dbraw/zinc/38/83/32/160388332.db2.gz UAOVTDABJHXFLD-UHFFFAOYSA-N 2 0 299.484 1.368 10 0 CDAERP C[N@@H+]1CCC[C@@]2(CCN(CCO[C@@H]3CC3(F)F)C2)C1 ZINC000660642674 413324733 /nfs/dbraw/zinc/32/47/33/413324733.db2.gz UFAQFNLHJPGYKX-CHWSQXEVSA-N 2 0 274.355 1.828 10 0 CDAERP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](C)CC[C@@H]2C)CC1 ZINC000362480656 159157900 /nfs/dbraw/zinc/15/79/00/159157900.db2.gz ULSXCOLSVFMQCP-KBPBESRZSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000362902706 159265799 /nfs/dbraw/zinc/26/57/99/159265799.db2.gz ZEJBZEFDJCJFJO-WFASDCNBSA-N 2 0 279.428 1.317 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)CC1(C[NH3+])CCCCC1 ZINC000662730831 413396115 /nfs/dbraw/zinc/39/61/15/413396115.db2.gz QRMPDPNYACMZCU-CYBMUJFWSA-N 2 0 269.433 1.775 10 0 CDAERP CCC([NH3+])(CC)CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000363992864 159361881 /nfs/dbraw/zinc/36/18/81/159361881.db2.gz BNENQJYSRYZSLB-MQIPJXDCSA-N 2 0 297.443 1.153 10 0 CDAERP CC[C@H]([NH2+]C)C(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000662743977 413417293 /nfs/dbraw/zinc/41/72/93/413417293.db2.gz BFTMJOPNUXBXLT-AVGNSLFASA-N 2 0 255.406 1.173 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)CC2([NH3+])CC2)[C@@H](C)C1 ZINC000662745783 413423085 /nfs/dbraw/zinc/42/30/85/413423085.db2.gz OITUFWYZILOZMD-NWDGAFQWSA-N 2 0 253.390 1.057 10 0 CDAERP CC(C)[N@H+](C)C[C@@H](O)C[NH2+]C1(C2CCC2)CCC1 ZINC000660778585 413468711 /nfs/dbraw/zinc/46/87/11/413468711.db2.gz KPTKMEOXGVSOSX-AWEZNQCLSA-N 2 0 254.418 2.000 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001665659681 1173031943 /nfs/dbraw/zinc/03/19/43/1173031943.db2.gz PWQSFAZFGQEMCA-KGLIPLIRSA-N 2 0 269.433 1.517 10 0 CDAERP [NH3+]C[C@H](c1ccccc1)N1CC[NH+](CC2CC2)CC1 ZINC000020179401 171044065 /nfs/dbraw/zinc/04/40/65/171044065.db2.gz WRRMGDWYAGUANC-MRXNPFEDSA-N 2 0 259.397 1.714 10 0 CDAERP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)C(=O)NC(C)C ZINC000020304564 171141333 /nfs/dbraw/zinc/14/13/33/171141333.db2.gz OBXSROHJGQGJFS-KGLIPLIRSA-N 2 0 271.449 2.000 10 0 CDAERP CCC[NH2+][C@@H](C)C(=O)NCc1ccccc1C[NH2+]C ZINC000653214250 412142415 /nfs/dbraw/zinc/14/24/15/412142415.db2.gz MXYXLYAVUQSMML-LBPRGKRZSA-N 2 0 263.385 1.410 10 0 CDAERP [NH3+]CC1(CCNC(=O)CCC2CC[NH2+]CC2)CC1 ZINC000653221320 412147562 /nfs/dbraw/zinc/14/75/62/412147562.db2.gz RGDLVHDFHHGFSD-UHFFFAOYSA-N 2 0 253.390 1.011 10 0 CDAERP C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662788711 413501385 /nfs/dbraw/zinc/50/13/85/413501385.db2.gz OCZMVZXXIIYZMK-NSHDSACASA-N 2 0 294.399 1.425 10 0 CDAERP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)CC1([NH3+])CC1 ZINC000662787875 413501748 /nfs/dbraw/zinc/50/17/48/413501748.db2.gz HLBKVJXIRBJCSL-UHFFFAOYSA-N 2 0 293.386 1.597 10 0 CDAERP C[NH+](C)[C@H]1CCCN(C(=O)c2cc(C(C)(C)[NH3+])no2)CC1 ZINC000662792794 413507835 /nfs/dbraw/zinc/50/78/35/413507835.db2.gz HNNCNALEWZDXTL-NSHDSACASA-N 2 0 294.399 1.425 10 0 CDAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662801413 413516764 /nfs/dbraw/zinc/51/67/64/413516764.db2.gz VQPPQQXISAAXQK-QEJZJMRPSA-N 2 0 275.396 1.360 10 0 CDAERP C[C@@H]1C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C[C@@]1(C)C[NH3+] ZINC000656785276 413647977 /nfs/dbraw/zinc/64/79/77/413647977.db2.gz GLGOIHOMMWICGQ-CXAGYDPISA-N 3 0 273.424 1.749 10 0 CDAERP C[C@@H]1CCCN(C(=O)C[C@H]2CC[NH2+]C2)[C@@H]1CCC[NH3+] ZINC000662893221 413668493 /nfs/dbraw/zinc/66/84/93/413668493.db2.gz WFLAJEQAPJWCFP-MGPQQGTHSA-N 2 0 267.417 1.352 10 0 CDAERP CCO[C@@H]1C[N@H+](CCOc2ccccc2)C[C@H]1C[NH3+] ZINC000405677400 413671057 /nfs/dbraw/zinc/67/10/57/413671057.db2.gz LJKPEIMUULDLAP-UKRRQHHQSA-N 2 0 264.369 1.361 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000664719707 413614468 /nfs/dbraw/zinc/61/44/68/413614468.db2.gz WGYSFUWOENKCBB-CYBMUJFWSA-N 2 0 269.433 1.613 10 0 CDAERP CCO[C@@H]1C[N@H+](CCOc2ccc(OC)cc2)C[C@H]1C[NH3+] ZINC000405767898 413694536 /nfs/dbraw/zinc/69/45/36/413694536.db2.gz JEKWVLQNFOWIRD-CZUORRHYSA-N 2 0 294.395 1.370 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)c1ccccc1CC[NH3+] ZINC000662925214 413707028 /nfs/dbraw/zinc/70/70/28/413707028.db2.gz FISMLWFYXOWZOM-CQSZACIVSA-N 2 0 263.385 1.291 10 0 CDAERP CC[C@]1(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CCC[NH2+]1 ZINC000662971466 413760663 /nfs/dbraw/zinc/76/06/63/413760663.db2.gz AJMUOLZCQTUOAP-GDBMZVCRSA-N 2 0 297.443 1.088 10 0 CDAERP CC[NH+](CC)CCC[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000661141290 413827543 /nfs/dbraw/zinc/82/75/43/413827543.db2.gz RMFMDVQFJPAUTE-AWEZNQCLSA-N 2 0 265.405 1.332 10 0 CDAERP CCCC[C@H](C[NH3+])NC(=O)N[C@@H](C)c1nccn1C ZINC000659522324 413921880 /nfs/dbraw/zinc/92/18/80/413921880.db2.gz BNUGNYFUXYYURA-WDEREUQCSA-N 2 0 267.377 1.298 10 0 CDAERP CC(C)C[C@H](C[NH3+])NC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659523588 413922113 /nfs/dbraw/zinc/92/21/13/413922113.db2.gz VXYKJBYMTOFGIR-VXGBXAGGSA-N 2 0 258.410 1.032 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)C1 ZINC000407359483 413941429 /nfs/dbraw/zinc/94/14/29/413941429.db2.gz GSCHSYCEOJIOIT-KFWWJZLASA-N 2 0 279.428 1.460 10 0 CDAERP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)[C@H]1CCC[NH2+]1 ZINC000665233475 413957253 /nfs/dbraw/zinc/95/72/53/413957253.db2.gz ISBNNFNIBGYXGE-RHSMWYFYSA-N 3 0 295.471 1.608 10 0 CDAERP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000665233485 413958610 /nfs/dbraw/zinc/95/86/10/413958610.db2.gz IWOSVJSUGFEQGW-ZIAGYGMSSA-N 3 0 283.460 1.593 10 0 CDAERP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cnc(C(F)(F)F)nc2)C1 ZINC000665234964 413963981 /nfs/dbraw/zinc/96/39/81/413963981.db2.gz NBBFTKQCUYBVSU-VHSXEESVSA-N 2 0 274.290 1.855 10 0 CDAERP FC1(F)C[C@@H]1OCC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000665243914 413975048 /nfs/dbraw/zinc/97/50/48/413975048.db2.gz AXLXPIBAXFCLHL-RVMXOQNASA-N 2 0 290.354 1.157 10 0 CDAERP [NH3+][C@H]1CCC[C@H](N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C1 ZINC000665252560 413979012 /nfs/dbraw/zinc/97/90/12/413979012.db2.gz SOBLRJUKXPQGLN-MWDXBVQZSA-N 2 0 273.424 1.992 10 0 CDAERP C[NH2+]C[C@H](C)NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000659646975 414055792 /nfs/dbraw/zinc/05/57/92/414055792.db2.gz RCYDQZVCAVZSRP-UONOGXRCSA-N 2 0 282.432 1.254 10 0 CDAERP CCCCC[N@H+](C)[C@@H]1CC2(CC[C@@H]1[NH3+])OCCO2 ZINC000037165701 173000261 /nfs/dbraw/zinc/00/02/61/173000261.db2.gz VVZOEQJTAFMUTF-QWHCGFSZSA-N 2 0 256.390 1.731 10 0 CDAERP C[NH+]1CCN(CC[NH2+]Cc2ccccc2F)CC1 ZINC000037496751 173235698 /nfs/dbraw/zinc/23/56/98/173235698.db2.gz DHSBEWUSQROOKX-UHFFFAOYSA-N 2 0 251.349 1.163 10 0 CDAERP c1cc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)n(-c2cc[nH+]cc2)n1 ZINC000657314664 414158257 /nfs/dbraw/zinc/15/82/57/414158257.db2.gz ZEFTZQFGONSGCH-ZBFHGGJFSA-N 2 0 297.406 1.984 10 0 CDAERP CN(C)c1ncc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)s1 ZINC000655827572 414236671 /nfs/dbraw/zinc/23/66/71/414236671.db2.gz UGFABHVBNVAZNW-PHIMTYICSA-N 2 0 268.430 1.639 10 0 CDAERP C[NH+](C)CCCC[NH2+]Cc1cn(C2CCC2)nn1 ZINC000657335699 414196084 /nfs/dbraw/zinc/19/60/84/414196084.db2.gz SVIATTNCNQXTLH-UHFFFAOYSA-N 2 0 251.378 1.435 10 0 CDAERP C[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655803291 414196386 /nfs/dbraw/zinc/19/63/86/414196386.db2.gz XQLADPAKJNSODJ-NRKLIOEPSA-N 2 0 295.471 1.701 10 0 CDAERP CC[C@H](C)[NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000037617714 173566186 /nfs/dbraw/zinc/56/61/86/173566186.db2.gz BWSARJATDVNZTL-LBPRGKRZSA-N 2 0 255.406 1.364 10 0 CDAERP CC[C@@H]1C[C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)CO1 ZINC000657387743 414268261 /nfs/dbraw/zinc/26/82/61/414268261.db2.gz ZMRVDSMHTHQDRU-DZGCQCFKSA-N 2 0 269.433 1.170 10 0 CDAERP C[C@H]1C[C@@H](C[N@@H+]2CCc3c(cccc3C(N)=O)C2)CC[NH2+]1 ZINC000663512564 414316888 /nfs/dbraw/zinc/31/68/88/414316888.db2.gz GGWRMEPDIHAURL-STQMWFEESA-N 2 0 287.407 1.532 10 0 CDAERP CO[C@H](C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)[C@H]1CCOC1 ZINC000659973425 414312128 /nfs/dbraw/zinc/31/21/28/414312128.db2.gz DHELOYLJJHSLCH-YESZJQIVSA-N 2 0 296.455 1.702 10 0 CDAERP C[C@@H](CCCCO)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657479277 414378043 /nfs/dbraw/zinc/37/80/43/414378043.db2.gz ZCTQOEVBEFUVDA-ZDUSSCGKSA-N 2 0 274.368 1.908 10 0 CDAERP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)C1CCC(F)CC1 ZINC000661998629 414467091 /nfs/dbraw/zinc/46/70/91/414467091.db2.gz LIZHXJMWSHZQTE-BLYZHGLHSA-N 2 0 260.397 1.805 10 0 CDAERP C[C@H]1C[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CO1 ZINC000657501033 414401617 /nfs/dbraw/zinc/40/16/17/414401617.db2.gz UTRWSZJRGRGNCO-RYUDHWBXSA-N 2 0 258.325 1.534 10 0 CDAERP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CCOCC2(CCC2)C1 ZINC000662282659 414612504 /nfs/dbraw/zinc/61/25/04/414612504.db2.gz PQUZWEGBNQFAHO-ZDUSSCGKSA-N 2 0 266.385 1.010 10 0 CDAERP C([C@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000662287085 414615320 /nfs/dbraw/zinc/61/53/20/414615320.db2.gz VUMHWMWCICSPKP-MJBXVCDLSA-N 2 0 250.386 1.772 10 0 CDAERP C(CC1CC[NH2+]CC1)C[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662315226 414633450 /nfs/dbraw/zinc/63/34/50/414633450.db2.gz CSKPBHXEBAEHLQ-LSDHHAIUSA-N 2 0 252.402 1.735 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000038100732 174115718 /nfs/dbraw/zinc/11/57/18/174115718.db2.gz QQTXHIAQOMVXJQ-ZDUSSCGKSA-N 2 0 253.390 1.071 10 0 CDAERP CSCC[C@H]([NH3+])C(=O)N(CC[NH+](C)C)CC(C)C ZINC000040468687 174276799 /nfs/dbraw/zinc/27/67/99/174276799.db2.gz OWBSEAZFYWKHBY-LBPRGKRZSA-N 2 0 275.462 1.113 10 0 CDAERP C[C@@H]1CCC[C@@H]([N@@H+]2CCC[C@@H]2C(=O)N2CC[NH2+]CC2)C1 ZINC000040508074 174303157 /nfs/dbraw/zinc/30/31/57/174303157.db2.gz QVVULQPQNWPTTO-RBSFLKMASA-N 2 0 279.428 1.461 10 0 CDAERP CCC(CC)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508145 174303687 /nfs/dbraw/zinc/30/36/87/174303687.db2.gz PMFRHLDMOYFFII-CYBMUJFWSA-N 2 0 253.390 1.071 10 0 CDAERP CC(C)[NH2+]C[C@@H](O)CN1CCC([NH+]2CCCCC2)CC1 ZINC000040693889 174377636 /nfs/dbraw/zinc/37/76/36/174377636.db2.gz UNDDHVBLJLATDY-MRXNPFEDSA-N 2 0 283.460 1.296 10 0 CDAERP CCN(CC)C(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750442 174395862 /nfs/dbraw/zinc/39/58/62/174395862.db2.gz PUXMVMNZXMAYNN-ODWCKFRGSA-N 2 0 253.390 1.197 10 0 CDAERP CC(C)[NH2+]CCC(=O)NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000040831186 174412853 /nfs/dbraw/zinc/41/28/53/174412853.db2.gz KOMVWARXHGDDRN-AWEZNQCLSA-N 2 0 269.433 1.611 10 0 CDAERP CCC(CC)[C@H](CNC(=O)CCCCC[NH3+])[NH+](C)C ZINC000040831432 174413449 /nfs/dbraw/zinc/41/34/49/174413449.db2.gz UTBOCBPXBIGMNH-AWEZNQCLSA-N 2 0 271.449 1.988 10 0 CDAERP CC(C)(C)[NH+]1CCN([C@]2(C[NH3+])CCSC2)CC1 ZINC000042461759 174751485 /nfs/dbraw/zinc/75/14/85/174751485.db2.gz SCQJARHWUNLCNK-ZDUSSCGKSA-N 2 0 257.447 1.237 10 0 CDAERP C[N@H+](CCCN[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000043324077 175006385 /nfs/dbraw/zinc/00/63/85/175006385.db2.gz RDJKHFHPHDLXRX-MRXNPFEDSA-N 2 0 261.413 1.850 10 0 CDAERP C[C@@H]([NH3+])[C@H](c1ccccn1)N1CC[NH+](C(C)(C)C)CC1 ZINC000043340024 175013890 /nfs/dbraw/zinc/01/38/90/175013890.db2.gz HTIHYWPWIWSVNV-UKRRQHHQSA-N 2 0 276.428 1.886 10 0 CDAERP CC(C)[NH+]1CCN([C@@H](c2ccncc2)[C@H](C)[NH3+])CC1 ZINC000043353679 175020810 /nfs/dbraw/zinc/02/08/10/175020810.db2.gz CHWBOXVCMFCUCG-DZGCQCFKSA-N 2 0 262.401 1.496 10 0 CDAERP C[C@@H]([NH3+])[C@H](c1ccncc1)N1CCC([NH+](C)C)CC1 ZINC000043353690 175020974 /nfs/dbraw/zinc/02/09/74/175020974.db2.gz AAWGHQRSAUOERA-IUODEOHRSA-N 2 0 262.401 1.496 10 0 CDAERP C[NH+](C)CC1CCN([C@@H](C[NH3+])c2ccncc2)CC1 ZINC000043354407 175021785 /nfs/dbraw/zinc/02/17/85/175021785.db2.gz YCGGCAXCCMGLCY-HNNXBMFYSA-N 2 0 262.401 1.355 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=S)NCCC[NH+](C)C ZINC000043531542 175062232 /nfs/dbraw/zinc/06/22/32/175062232.db2.gz DQZBNMJWPDWKJO-UHFFFAOYSA-N 2 0 288.505 1.332 10 0 CDAERP CCN(C(=O)[C@@H](C)[NH+]1[C@@H](C)CC[C@@H]1C)C1CC[NH2+]CC1 ZINC000043559877 175065883 /nfs/dbraw/zinc/06/58/83/175065883.db2.gz SEUOTSIHVYXDMF-MELADBBJSA-N 2 0 281.444 1.848 10 0 CDAERP O=C(Nc1ccccc1C[NH+]1CCCC1)[C@H]1C[NH2+]CCO1 ZINC000043715851 175104492 /nfs/dbraw/zinc/10/44/92/175104492.db2.gz CQWPWDSSUXAXBG-OAHLLOKOSA-N 2 0 289.379 1.209 10 0 CDAERP CC[NH+]1CCN([C@@H]2Cc3ccccc3[C@@H]2[NH2+]C)CC1 ZINC000043805785 175107627 /nfs/dbraw/zinc/10/76/27/175107627.db2.gz ZGGFTSVUWWEFHK-CVEARBPZSA-N 2 0 259.397 1.509 10 0 CDAERP CC[C@@H]([C@@H]([NH2+]C)c1ccccc1)N1CC[NH+](C)CC1 ZINC000043810598 175109635 /nfs/dbraw/zinc/10/96/35/175109635.db2.gz TUVBSZLAEPVEDZ-HOTGVXAUSA-N 2 0 261.413 1.973 10 0 CDAERP CC[C@@H]1CC[C@H](O)[C@H]([NH+]2CCC([NH+](C)C)CC2)C1 ZINC000044133039 175145654 /nfs/dbraw/zinc/14/56/54/175145654.db2.gz VSQIOISINUKOFI-YUELXQCFSA-N 2 0 254.418 1.952 10 0 CDAERP O[C@@H](C[NH2+][C@H]1C[C@@H]1c1ccccc1)C[NH+]1CCCC1 ZINC000044425944 175174845 /nfs/dbraw/zinc/17/48/45/175174845.db2.gz SNANKNXCEZNHJK-XHSDSOJGSA-N 2 0 260.381 1.589 10 0 CDAERP C[C@H](c1cccc(-n2cnnn2)c1)[NH+]1CCC(C[NH3+])CC1 ZINC000044511737 175187789 /nfs/dbraw/zinc/18/77/89/175187789.db2.gz WHAXMTIQHBXLGZ-GFCCVEGCSA-N 2 0 286.383 1.394 10 0 CDAERP CC[NH+]1CCC(C[N@@H+]2CCC[NH2+][C@@H](C)CC2)CC1 ZINC000044526836 175192151 /nfs/dbraw/zinc/19/21/51/175192151.db2.gz RWPGNQALKMKHIX-AWEZNQCLSA-N 3 0 253.434 1.792 10 0 CDAERP [NH3+]CC1(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CCCCCC1 ZINC000044764452 175248621 /nfs/dbraw/zinc/24/86/21/175248621.db2.gz OCKKLZOVRPWHLA-ZDUSSCGKSA-N 2 0 279.428 1.639 10 0 CDAERP CC(C)[NH+]1CCN(C(=O)[C@H](C[NH3+])Cc2ccccc2)CC1 ZINC000044802157 175255572 /nfs/dbraw/zinc/25/55/72/175255572.db2.gz VOIXXTOVRRZHAN-INIZCTEOSA-N 2 0 289.423 1.357 10 0 CDAERP CCC[NH+]1CCC([C@H](C)[NH2+]CCC(=O)NC)CC1 ZINC000044989200 175285489 /nfs/dbraw/zinc/28/54/89/175285489.db2.gz RPYFTCDPDRTLLA-LBPRGKRZSA-N 2 0 255.406 1.223 10 0 CDAERP CC[C@H]1CCN(C[C@@H]2CC[N@@H+](C(C)C)C2)CC[NH2+]1 ZINC000045136743 175314135 /nfs/dbraw/zinc/31/41/35/175314135.db2.gz JPMXTMPYMYVFOM-GJZGRUSLSA-N 2 0 253.434 1.791 10 0 CDAERP CC(C)[NH2+][C@](C)(CC[NH+]1CCC(C[NH+](C)C)CC1)C(=O)[O-] ZINC000045277082 175347732 /nfs/dbraw/zinc/34/77/32/175347732.db2.gz PPYITGYCOOVAIZ-MRXNPFEDSA-N 2 0 299.459 1.491 10 0 CDAERP CCC[N@H+](CC)CCC[C@](C)([NH2+]C1CC1)C(N)=O ZINC000045387160 175372844 /nfs/dbraw/zinc/37/28/44/175372844.db2.gz JPIVATQZINNDSN-AWEZNQCLSA-N 2 0 255.406 1.495 10 0 CDAERP CCC[NH2+][C@](C)(CCCC[N@H+](CC)C1CC1)C(N)=O ZINC000045386405 175373025 /nfs/dbraw/zinc/37/30/25/175373025.db2.gz HBHBCBZWCGFHEE-OAHLLOKOSA-N 2 0 269.433 1.885 10 0 CDAERP CCOC1CC[NH+](CCC[C@@](C)([NH2+]C(C)C)C(N)=O)CC1 ZINC000045420154 175378695 /nfs/dbraw/zinc/37/86/95/175378695.db2.gz HICVGDQTXUKQDT-MRXNPFEDSA-N 2 0 299.459 1.510 10 0 CDAERP CC[C@@]1(C)C[C@](C[NH3+])(N(C)CCC[NH+](C)C)CCO1 ZINC000070366622 175896466 /nfs/dbraw/zinc/89/64/66/175896466.db2.gz XWLXXJHEPOKFIZ-LSDHHAIUSA-N 2 0 271.449 1.547 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)c1ccccc1CC[NH3+] ZINC000070542414 175977711 /nfs/dbraw/zinc/97/77/11/175977711.db2.gz SDSPAVDZLFQYJD-UHFFFAOYSA-N 2 0 263.385 1.212 10 0 CDAERP CC(C)[NH2+][C@H]1CCN(C[C@H](C)C[NH+]2CCCC2)C1=O ZINC000071031224 176022642 /nfs/dbraw/zinc/02/26/42/176022642.db2.gz ZTRFWFNVKHVAOV-KGLIPLIRSA-N 2 0 267.417 1.317 10 0 CDAERP CC[NH2+][C@H]1CCCN([C@@H](C)C[NH+]2CCCCC2)C1=O ZINC000071037387 176025837 /nfs/dbraw/zinc/02/58/37/176025837.db2.gz XDGBIBKEEPMXSE-KBPBESRZSA-N 2 0 267.417 1.461 10 0 CDAERP C[C@@H](CCc1ccccc1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071148542 176043958 /nfs/dbraw/zinc/04/39/58/176043958.db2.gz IRVBYBHUPAWHAU-INIZCTEOSA-N 2 0 275.440 1.845 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000071188073 176061682 /nfs/dbraw/zinc/06/16/82/176061682.db2.gz BIJLKZSMQZUQJS-DOMZBBRYSA-N 2 0 265.376 1.709 10 0 CDAERP C[C@H]([NH3+])[C@H](N(C)C[C@@H]1CC[N@H+](C)C1)C(F)(F)F ZINC000071188146 176063144 /nfs/dbraw/zinc/06/31/44/176063144.db2.gz DPJMTVCQKQCJPI-AEJSXWLSSA-N 2 0 253.312 1.148 10 0 CDAERP C[NH2+]Cc1cc(F)ccc1N(C)C[C@H]1CC[N@H+](C)C1 ZINC000071190064 176065713 /nfs/dbraw/zinc/06/57/13/176065713.db2.gz DCQSSVMFVQWLLP-LBPRGKRZSA-N 2 0 265.376 1.933 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C1([NH3+])CCCCC1 ZINC000071189710 176066034 /nfs/dbraw/zinc/06/60/34/176066034.db2.gz BINTYCNYXMXSPR-GFCCVEGCSA-N 2 0 253.390 1.058 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)C[C@](C)([NH3+])c1ccccc1 ZINC000071190927 176067854 /nfs/dbraw/zinc/06/78/54/176067854.db2.gz VPGSRMPQTHXTGF-ZBFHGGJFSA-N 2 0 261.413 1.744 10 0 CDAERP C[NH2+][C@@H](CCN(C)C[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC000071191361 176070041 /nfs/dbraw/zinc/07/00/41/176070041.db2.gz WXNOKZGAWLLDSY-KGLIPLIRSA-N 2 0 255.450 1.894 10 0 CDAERP C[NH2+]Cc1sc(N(C)C[C@@H]2CC[N@H+](C)C2)nc1C ZINC000071192599 176074330 /nfs/dbraw/zinc/07/43/30/176074330.db2.gz TXIZFNDIPXIYCZ-LLVKDONJSA-N 2 0 268.430 1.559 10 0 CDAERP CN(C[C@H]1CC[N@H+](C)C1)C(=O)C1CCC(C[NH3+])CC1 ZINC000071193297 176075087 /nfs/dbraw/zinc/07/50/87/176075087.db2.gz XQLBENLZZGGDGN-MOKVOYLWSA-N 2 0 267.417 1.162 10 0 CDAERP CC[N@@H+]1CC[C@@H](CN2CCC[C@H]([NH2+]C3CC3)C2)C1 ZINC000071199241 176077159 /nfs/dbraw/zinc/07/71/59/176077159.db2.gz GJZXDIWPUUJSIK-HIFRSBDPSA-N 2 0 251.418 1.545 10 0 CDAERP CC(C)[NH2+][C@H]1CCCN(C[C@@H]2CCCC[N@@H+]2C)C1 ZINC000071200678 176077772 /nfs/dbraw/zinc/07/77/72/176077772.db2.gz KTYLHGDKCZKZDU-GJZGRUSLSA-N 2 0 253.434 1.933 10 0 CDAERP CCC[C@@](C)(C[NH2+]C)CN1CC[NH+](CC(C)(C)O)CC1 ZINC000071381803 176145682 /nfs/dbraw/zinc/14/56/82/176145682.db2.gz DUKGIKHATWGZSY-INIZCTEOSA-N 2 0 285.476 1.401 10 0 CDAERP C[NH2+][C@H]1CCCC[C@@H]1CN1CC[NH+](CC(C)(C)O)CC1 ZINC000071381735 176145871 /nfs/dbraw/zinc/14/58/71/176145871.db2.gz UUBAEOOZMBFSRO-CABCVRRESA-N 2 0 283.460 1.153 10 0 CDAERP [NH3+][C@@H](CCC(=O)N[C@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC000071400124 176152548 /nfs/dbraw/zinc/15/25/48/176152548.db2.gz YJGZOWWVQZVENW-HOTGVXAUSA-N 2 0 287.407 1.677 10 0 CDAERP C[C@@]1(CN2CCC(C[NH+]3CCCC3)CC2)CCC[NH2+]1 ZINC000079522313 177515122 /nfs/dbraw/zinc/51/51/22/177515122.db2.gz NDXZPTPVXJLXAU-INIZCTEOSA-N 2 0 265.445 1.936 10 0 CDAERP CC[C@@](C)(O)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000162080619 287393896 /nfs/dbraw/zinc/39/38/96/287393896.db2.gz HXVYGGCUKXDEIX-FCLJQHQZSA-N 2 0 295.471 1.390 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C[C@@H]2C[NH2+]CCO2)C1 ZINC000662260160 423805446 /nfs/dbraw/zinc/80/54/46/423805446.db2.gz IUOGLYNLXOUVTD-ZACQAIPSSA-N 2 0 295.471 1.561 10 0 CDAERP CCn1ccnc1[C@@H]1CCCCN1C[C@H]1C[NH2+]CCO1 ZINC000662276916 423849413 /nfs/dbraw/zinc/84/94/13/423849413.db2.gz ACJRPYBZCRCQDU-KGLIPLIRSA-N 2 0 278.400 1.418 10 0 CDAERP CN(C)C(=O)N(C)[C@@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000662318417 423952198 /nfs/dbraw/zinc/95/21/98/423952198.db2.gz ZSIWLFDGEWGSBQ-ZIAGYGMSSA-N 2 0 282.432 1.064 10 0 CDAERP c1cc(CN2CCC3(CC[NH2+]3)CC2)c2c(c1)C[NH2+]CC2 ZINC000662283464 423893411 /nfs/dbraw/zinc/89/34/11/423893411.db2.gz OMHPCWHUDBCZBN-UHFFFAOYSA-N 2 0 271.408 1.660 10 0 CDAERP COCCOCC[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294588 423923183 /nfs/dbraw/zinc/92/31/83/423923183.db2.gz RAMBYUJMFSHYPY-OAHLLOKOSA-N 2 0 270.417 1.361 10 0 CDAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCc1ccc(C[NH3+])cc1F ZINC000652216032 424070615 /nfs/dbraw/zinc/07/06/15/424070615.db2.gz HIWMXMVOEYSDKJ-IINYFYTJSA-N 2 0 294.374 1.082 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000652216675 424074827 /nfs/dbraw/zinc/07/48/27/424074827.db2.gz BXQPAHAGHSIUCC-OAHLLOKOSA-N 2 0 298.475 1.781 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000652225070 424083461 /nfs/dbraw/zinc/08/34/61/424083461.db2.gz PAKVELOSFREFNT-GASCZTMLSA-N 2 0 296.459 1.500 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000652225151 424086571 /nfs/dbraw/zinc/08/65/71/424086571.db2.gz RQAMAJVFOWRALH-CABCVRRESA-N 2 0 298.475 1.876 10 0 CDAERP NC(=O)C[C@@H]1CCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000652338574 424257323 /nfs/dbraw/zinc/25/73/23/424257323.db2.gz ZOWHDSKYAVNMFB-ZDUSSCGKSA-N 2 0 287.407 1.420 10 0 CDAERP CCO[C@@H]1C[N@H+](CCCc2ccncc2)C[C@H]1C[NH3+] ZINC000652356089 424302559 /nfs/dbraw/zinc/30/25/59/424302559.db2.gz RUHFZFIYTQVKKK-HUUCEWRRSA-N 2 0 263.385 1.310 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000662702927 424344910 /nfs/dbraw/zinc/34/49/10/424344910.db2.gz DERJEQZBOLLRRQ-LSDHHAIUSA-N 2 0 293.386 1.469 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CC[C@H](C)SC2)CC1 ZINC000655690045 424397390 /nfs/dbraw/zinc/39/73/90/424397390.db2.gz SPZSPTMOMWETPK-QLFBSQMISA-N 2 0 285.501 1.886 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H](C)CN1CCC(C)CC1 ZINC000665273278 424485331 /nfs/dbraw/zinc/48/53/31/424485331.db2.gz SWCOQZMBVHCSRB-CABCVRRESA-N 2 0 271.449 1.450 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC000665274745 424486198 /nfs/dbraw/zinc/48/61/98/424486198.db2.gz XJGQSFVSQGUQHX-NAKRPEOUSA-N 2 0 262.344 1.620 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000662811747 424500497 /nfs/dbraw/zinc/50/04/97/424500497.db2.gz BDXXJDWHMKDJMS-JYJNAYRXSA-N 2 0 295.471 1.988 10 0 CDAERP CO[C@H](C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1)[C@@H]1CCOC1 ZINC000665234789 424470934 /nfs/dbraw/zinc/47/09/34/424470934.db2.gz KCUOZCVNSGOUNG-LVQVYYBASA-N 2 0 284.444 1.938 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655482495 424476461 /nfs/dbraw/zinc/47/64/61/424476461.db2.gz XTOUHHGTTKDRPR-ZBFHGGJFSA-N 2 0 281.444 1.470 10 0 CDAERP CCC[NH2+]CC[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001667301925 1173252147 /nfs/dbraw/zinc/25/21/47/1173252147.db2.gz MOZPSBWQUZRCAW-HNNXBMFYSA-N 2 0 293.455 1.853 10 0 CDAERP CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)C(C)C ZINC001667399778 1173263609 /nfs/dbraw/zinc/26/36/09/1173263609.db2.gz CSTUZLSLLVUEHC-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP COc1ccc(CC[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cn1 ZINC000530221894 271163307 /nfs/dbraw/zinc/16/33/07/271163307.db2.gz PMXYLUCSYGJBRV-ZIAGYGMSSA-N 2 0 263.385 1.882 10 0 CDAERP CN1C(=O)c2ccccc2[C@@H]1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000530222110 271163862 /nfs/dbraw/zinc/16/38/62/271163862.db2.gz FUQKHKALLMTNDL-HUBLWGQQSA-N 2 0 273.380 1.673 10 0 CDAERP CC(C)COCC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530243335 271180829 /nfs/dbraw/zinc/18/08/29/271180829.db2.gz WZXPZJJAIVRXFS-INIZCTEOSA-N 2 0 284.444 1.750 10 0 CDAERP CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414763137 276280345 /nfs/dbraw/zinc/28/03/45/276280345.db2.gz WYNBSFATIYRSCG-XGUBFFRZSA-N 2 0 298.427 1.417 10 0 CDAERP CC[N@H+](CCC1CC[NH+]([C@@H]2CCNC2=O)CC1)CC1CC1 ZINC000357084651 276342945 /nfs/dbraw/zinc/34/29/45/276342945.db2.gz MCYWFUCSKCFCAY-MRXNPFEDSA-N 2 0 293.455 1.709 10 0 CDAERP COC1(C[C@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)CCC1 ZINC000429435486 277189319 /nfs/dbraw/zinc/18/93/19/277189319.db2.gz JLMYDSGTDGCWDZ-CVEARBPZSA-N 2 0 297.487 1.950 10 0 CDAERP COC(=O)C1(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000448520455 277308178 /nfs/dbraw/zinc/30/81/78/277308178.db2.gz JRYDWLZVFHMZLI-ZDUSSCGKSA-N 2 0 268.401 1.746 10 0 CDAERP CC1(C)CN(C(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000262159575 278310052 /nfs/dbraw/zinc/31/00/52/278310052.db2.gz XXGBEQBRIICAIY-KBPBESRZSA-N 2 0 293.386 1.454 10 0 CDAERP CC(C)C[NH+]1CCC(NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000416942717 278868950 /nfs/dbraw/zinc/86/89/50/278868950.db2.gz SETBAMJWEPUQLL-HIFRSBDPSA-N 2 0 296.459 1.404 10 0 CDAERP CC[NH+](CC)CC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000357829008 279089612 /nfs/dbraw/zinc/08/96/12/279089612.db2.gz FBDUCWPOQKWDCC-ZDUSSCGKSA-N 2 0 255.406 1.319 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)N[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000418689831 279091534 /nfs/dbraw/zinc/09/15/34/279091534.db2.gz CGLGUICSJRUQBY-OLZOCXBDSA-N 2 0 284.448 1.486 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](C[C@@H]2CCNC(=O)CC2)CC1 ZINC000450264250 279092239 /nfs/dbraw/zinc/09/22/39/279092239.db2.gz SOCRMIPLFOLCBY-HNNXBMFYSA-N 2 0 295.471 1.957 10 0 CDAERP CC[N@H+](CCNC(=O)N1C[C@H]2CCC[NH+]2C[C@@H]1C)C1CC1 ZINC000113611083 279197742 /nfs/dbraw/zinc/19/77/42/279197742.db2.gz RQBGJHLOVRDKLZ-DZGCQCFKSA-N 2 0 294.443 1.349 10 0 CDAERP CC[NH+]1CCC(CC[NH2+][C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000422780970 279257008 /nfs/dbraw/zinc/25/70/08/279257008.db2.gz ICRLRDCIYFMZIH-CABCVRRESA-N 3 0 253.434 1.825 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000417587048 279272600 /nfs/dbraw/zinc/27/26/00/279272600.db2.gz RRMDKOPQZMTCDA-MGPQQGTHSA-N 2 0 282.432 1.158 10 0 CDAERP CCc1cc(C)c(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)o1 ZINC000127754960 279542289 /nfs/dbraw/zinc/54/22/89/279542289.db2.gz NBIOCTSMTBCOJE-UHFFFAOYSA-N 2 0 295.427 1.716 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000194146653 280025505 /nfs/dbraw/zinc/02/55/05/280025505.db2.gz JGZZNXAZLAWSOQ-LSDHHAIUSA-N 2 0 296.459 1.644 10 0 CDAERP CC(C)[C@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[NH+](C)C ZINC000080715758 280168218 /nfs/dbraw/zinc/16/82/18/280168218.db2.gz NFBVFNHJKASQSK-JALIKCBVSA-N 2 0 281.444 1.704 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H]1CC[NH2+]C[C@H]1C)[NH+]1CCCCC1 ZINC000262803169 280184292 /nfs/dbraw/zinc/18/42/92/280184292.db2.gz ODHRECZMDDDJGX-QLFBSQMISA-N 2 0 281.444 1.611 10 0 CDAERP CCN(CC[NH2+]CC[C@@H](C)F)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001668455382 1173414952 /nfs/dbraw/zinc/41/49/52/1173414952.db2.gz KZIAWIRGMOKTBK-JHJVBQTASA-N 2 0 296.390 1.699 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1CNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261910340 280999994 /nfs/dbraw/zinc/99/99/94/280999994.db2.gz XKZDBFGDMRTCSE-XQQFMLRXSA-N 2 0 267.417 1.398 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1ccnc(C[NH3+])c1 ZINC000252505556 288297583 /nfs/dbraw/zinc/29/75/83/288297583.db2.gz UPTDORCJQYJOBY-DOMZBBRYSA-N 2 0 288.395 1.239 10 0 CDAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C[NH+]1CCC(C)CC1 ZINC000246368547 281196812 /nfs/dbraw/zinc/19/68/12/281196812.db2.gz LHBNFIDRKWCRMP-HOTGVXAUSA-N 2 0 293.455 1.804 10 0 CDAERP C[NH+](C)CC1(NC(=O)CC[C@H]2CCCC[N@@H+]2C)CCC1 ZINC000351624061 282076005 /nfs/dbraw/zinc/07/60/05/282076005.db2.gz WGCVYKLYZVBXCQ-CQSZACIVSA-N 2 0 281.444 1.851 10 0 CDAERP C[C@@H](O)CC[NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000152172867 289120105 /nfs/dbraw/zinc/12/01/05/289120105.db2.gz XSJVZLJCODUZRJ-FMKPAKJESA-N 2 0 262.397 1.867 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000262285892 289395950 /nfs/dbraw/zinc/39/59/50/289395950.db2.gz MJRFJYBLZAJJKX-BFHYXJOUSA-N 2 0 267.417 1.495 10 0 CDAERP C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000037267553 289886207 /nfs/dbraw/zinc/88/62/07/289886207.db2.gz YAHUWRAMVHPPHA-XBFCOCLRSA-N 2 0 265.401 1.118 10 0 CDAERP [NH3+]C[C@@H](NC(=O)N1CC[NH+]2CCC1CC2)C1CCCCC1 ZINC000557213674 290336681 /nfs/dbraw/zinc/33/66/81/290336681.db2.gz ONMCYQALWPHTGT-OAHLLOKOSA-N 2 0 294.443 1.384 10 0 CDAERP O=C(NCC1CC[NH2+]CC1)NC1CC([NH+]2CCCCC2)C1 ZINC000562812362 293202404 /nfs/dbraw/zinc/20/24/04/293202404.db2.gz RMWMFWCNTNTWDL-UHFFFAOYSA-N 2 0 294.443 1.302 10 0 CDAERP CC[NH2+]Cc1ccccc1NC(=O)[C@H]([NH3+])CC(F)F ZINC000563146485 293290049 /nfs/dbraw/zinc/29/00/49/293290049.db2.gz ZGFRTGROCDICIK-SNVBAGLBSA-N 2 0 271.311 1.717 10 0 CDAERP CC(C)[C@H](C(=O)N1CC2CCC1(C[NH3+])CC2)[C@H](C)[NH3+] ZINC000564344135 293347609 /nfs/dbraw/zinc/34/76/09/293347609.db2.gz WGYAKRFULRNYDU-SDFYHXNISA-N 2 0 267.417 1.336 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000564938006 293462878 /nfs/dbraw/zinc/46/28/78/293462878.db2.gz RMCRZAHLASUZRX-GRYCIOLGSA-N 2 0 258.410 1.142 10 0 CDAERP Cc1ncc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)cn1 ZINC000349859170 293591816 /nfs/dbraw/zinc/59/18/16/293591816.db2.gz YWFFNBGDXLMQLU-UHFFFAOYSA-N 2 0 291.443 1.291 10 0 CDAERP COCC[NH2+]C1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000565427873 293610521 /nfs/dbraw/zinc/61/05/21/293610521.db2.gz SBKKDEAKYXHSPZ-UHFFFAOYSA-N 2 0 283.460 1.563 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000568649398 294077779 /nfs/dbraw/zinc/07/77/79/294077779.db2.gz FPKHEJQWOGTKPL-MCIONIFRSA-N 2 0 267.417 1.127 10 0 CDAERP O=C1C[C@@H]([C@@H]2CCCC[N@@H+]2CCC2CC[NH2+]CC2)CN1 ZINC000570802270 294310960 /nfs/dbraw/zinc/31/09/60/294310960.db2.gz CWFMZAHFEXWNEI-CABCVRRESA-N 2 0 279.428 1.367 10 0 CDAERP COc1ccccc1OCC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000572392058 294615173 /nfs/dbraw/zinc/61/51/73/294615173.db2.gz GMKPCNHCRBIWGA-CYBMUJFWSA-N 2 0 264.369 1.806 10 0 CDAERP O=C([C@@H]1CCCCC[NH2+]1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000574260873 294972548 /nfs/dbraw/zinc/97/25/48/294972548.db2.gz CIXFULVYCCQDAJ-DZGCQCFKSA-N 2 0 265.401 1.121 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000574974791 295082418 /nfs/dbraw/zinc/08/24/18/295082418.db2.gz SEZTZFKQUQXJJM-INIZCTEOSA-N 2 0 296.459 1.503 10 0 CDAERP COc1ccc([C@H](NCCCC[NH3+])[C@@H]2CCC[NH2+]2)cc1 ZINC000423330007 295244786 /nfs/dbraw/zinc/24/47/86/295244786.db2.gz PJJSHAAVVACJMO-HOTGVXAUSA-N 2 0 277.412 1.817 10 0 CDAERP CCC(CC)C[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001668979111 1173487934 /nfs/dbraw/zinc/48/79/34/1173487934.db2.gz QGQGKWRAARBPGW-LQYUOIDQSA-N 2 0 281.444 1.779 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000193320094 298952924 /nfs/dbraw/zinc/95/29/24/298952924.db2.gz JKAABZJIZXAIEN-UONOGXRCSA-N 2 0 267.417 1.448 10 0 CDAERP CC(C)[NH2+]C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001669369053 1173542278 /nfs/dbraw/zinc/54/22/78/1173542278.db2.gz XVWSDQWPZXPTMA-GFCCVEGCSA-N 2 0 255.406 1.364 10 0 CDAERP CCCC[NH2+]C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001669411448 1173545922 /nfs/dbraw/zinc/54/59/22/1173545922.db2.gz JIFFMRYUNHZVBC-CYBMUJFWSA-N 2 0 269.433 1.613 10 0 CDAERP [NH3+]C1(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CCCCC1 ZINC000159059695 303354889 /nfs/dbraw/zinc/35/48/89/303354889.db2.gz JDVJPDVPCCJECS-TXEJJXNPSA-N 2 0 251.374 1.001 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@@H]1NCCC[NH2+]Cc1cccnc1 ZINC000423187872 303399722 /nfs/dbraw/zinc/39/97/22/303399722.db2.gz NEOLWWHZSOQYTE-HOTGVXAUSA-N 2 0 276.428 1.668 10 0 CDAERP CCCCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001669924647 1173630807 /nfs/dbraw/zinc/63/08/07/1173630807.db2.gz FDIXIXKMIFUJNU-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP O[C@H](C[NH2+]Cc1ccc2c[nH+]cn2c1)CC(F)(F)F ZINC000567043348 316725745 /nfs/dbraw/zinc/72/57/45/316725745.db2.gz RMTOGZZTNYWJRR-NSHDSACASA-N 2 0 273.258 1.737 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000576159355 317087543 /nfs/dbraw/zinc/08/75/43/317087543.db2.gz WJQYMBTVPZWDQO-XHSDSOJGSA-N 2 0 293.455 1.709 10 0 CDAERP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@H]2CCCC[C@H]2C[NH3+])CC1=O ZINC000577214632 317286928 /nfs/dbraw/zinc/28/69/28/317286928.db2.gz TVMUTQNPVSJQJK-BJJPWKGXSA-N 2 0 265.401 1.103 10 0 CDAERP [NH3+][C@H](C(=O)NC1CC([NH+]2CCCCC2)C1)C1CCC1 ZINC000577946863 317436307 /nfs/dbraw/zinc/43/63/07/317436307.db2.gz AYIYMRFMQYUQIK-RUXDESIVSA-N 2 0 265.401 1.247 10 0 CDAERP CC[NH2+]CC[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001672815295 1173801764 /nfs/dbraw/zinc/80/17/64/1173801764.db2.gz FZAKKVPEATUPRW-HNNXBMFYSA-N 2 0 293.455 1.711 10 0 CDAERP C[C@H]1C[C@H](N(C)C(=O)CC2(C[NH3+])CC2)CC[N@@H+]1C ZINC000579953882 324325849 /nfs/dbraw/zinc/32/58/49/324325849.db2.gz QSIWAKYSZLXBJZ-NWDGAFQWSA-N 2 0 253.390 1.057 10 0 CDAERP CC[C@H]1CC[C@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CC1 ZINC000580315467 324430284 /nfs/dbraw/zinc/43/02/84/324430284.db2.gz AJRBPTTVGUUKIR-JYJNAYRXSA-N 2 0 283.460 1.153 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)CC[NH2+]C2CC2)CC1 ZINC000581083048 324648581 /nfs/dbraw/zinc/64/85/81/324648581.db2.gz SSLGHJGQCSVABW-UHFFFAOYSA-N 2 0 267.417 1.367 10 0 CDAERP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000582842692 325054800 /nfs/dbraw/zinc/05/48/00/325054800.db2.gz IVTRFHKYOUBMNY-RISCZKNCSA-N 2 0 293.386 1.502 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001725647541 1159260581 /nfs/dbraw/zinc/26/05/81/1159260581.db2.gz XLOHPZGLUHJBRQ-ZIAGYGMSSA-N 2 0 281.444 1.755 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]C/C=C/Cl ZINC001671373616 1159661278 /nfs/dbraw/zinc/66/12/78/1159661278.db2.gz QGXZOTWJHBAVQK-IYNGYCSASA-N 2 0 287.835 1.661 10 0 CDAERP CC(C)CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001481682866 1159873372 /nfs/dbraw/zinc/87/33/72/1159873372.db2.gz NGTWJCKLYIJRMQ-JYJNAYRXSA-N 2 0 293.455 1.659 10 0 CDAERP CCOCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001733037707 1160465754 /nfs/dbraw/zinc/46/57/54/1160465754.db2.gz JXAGKJZDGVYKBC-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP C[NH+](C)C[C@H](NC(=O)CC1([NH3+])CC1)c1ccccc1 ZINC000398018044 482209483 /nfs/dbraw/zinc/20/94/83/482209483.db2.gz APCUPLFMVQDKBC-ZDUSSCGKSA-N 2 0 261.369 1.287 10 0 CDAERP CCC[C@H](C)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000668740884 482224518 /nfs/dbraw/zinc/22/45/18/482224518.db2.gz YEYXAPZRSMWUGZ-DZGCQCFKSA-N 2 0 254.418 1.954 10 0 CDAERP [NH3+][C@@H]1CCC[C@H](NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000446407235 482473712 /nfs/dbraw/zinc/47/37/12/482473712.db2.gz VOWKYWISAWRNBN-RGDJUOJXSA-N 2 0 265.401 1.293 10 0 CDAERP C[C@@H]([NH2+]C[C@@H](CO)c1cccnc1)C1CC[NH+](C)CC1 ZINC000672618710 482495754 /nfs/dbraw/zinc/49/57/54/482495754.db2.gz WYLHAMOWXXJQKH-CJNGLKHVSA-N 2 0 277.412 1.477 10 0 CDAERP C[C@H]([NH2+]C[C@@H](CO)c1cccnc1)C1CC[NH+](C)CC1 ZINC000672618709 482495758 /nfs/dbraw/zinc/49/57/58/482495758.db2.gz WYLHAMOWXXJQKH-BBRMVZONSA-N 2 0 277.412 1.477 10 0 CDAERP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)COCc1ccco1 ZINC000158041493 482516337 /nfs/dbraw/zinc/51/63/37/482516337.db2.gz JQXJMMPGYVRFOS-RBSFLKMASA-N 2 0 294.395 1.374 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc(C[NH3+])o1 ZINC000094565663 482532991 /nfs/dbraw/zinc/53/29/91/482532991.db2.gz IRQOKZBRQCTIHW-NSHDSACASA-N 2 0 267.373 1.444 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000669514595 482535117 /nfs/dbraw/zinc/53/51/17/482535117.db2.gz SCOWTPHYFJPBLX-NEPJUHHUSA-N 2 0 253.390 1.023 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000417010337 482562199 /nfs/dbraw/zinc/56/21/99/482562199.db2.gz PCWPDIPFFUZONA-JHJVBQTASA-N 2 0 270.421 1.286 10 0 CDAERP C[N@H+](CCNC(=O)CC(C)(C)[NH3+])C1CCCCC1 ZINC000237141485 482637279 /nfs/dbraw/zinc/63/72/79/482637279.db2.gz YGHVYRUEPQDBNS-UHFFFAOYSA-N 2 0 255.406 1.495 10 0 CDAERP C[NH2+]CCN(C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000417948519 482644871 /nfs/dbraw/zinc/64/48/71/482644871.db2.gz TVUVYNRUPDKVSI-LSDHHAIUSA-N 2 0 290.411 1.293 10 0 CDAERP CC(C)C[C@H]([NH3+])CN(CCO)CCc1ccccc1 ZINC000666640991 482834741 /nfs/dbraw/zinc/83/47/41/482834741.db2.gz VQNZSMSNCJTPFG-INIZCTEOSA-N 2 0 264.413 1.897 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000228492807 482854343 /nfs/dbraw/zinc/85/43/43/482854343.db2.gz OKCRHQUENPNGEN-BFHYXJOUSA-N 2 0 267.417 1.445 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000136424981 482917485 /nfs/dbraw/zinc/91/74/85/482917485.db2.gz VMBBTPSPDXUCAO-CABCVRRESA-N 2 0 277.412 1.779 10 0 CDAERP C([NH2+][C@H]1CO[C@@H](C2CC2)C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000667781605 482925627 /nfs/dbraw/zinc/92/56/27/482925627.db2.gz OCPLDMIOTYPSQS-NJZAAPMLSA-N 2 0 250.386 1.628 10 0 CDAERP CN(Cc1ccccc1)C[C@@H](O)C[N@H+](C)C[C@@H](O)C1CC1 ZINC000674314138 483003502 /nfs/dbraw/zinc/00/35/02/483003502.db2.gz XGOZFAXZEXSIIE-IAGOWNOFSA-N 2 0 292.423 1.182 10 0 CDAERP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)COCc1ccco1 ZINC000250082575 483013320 /nfs/dbraw/zinc/01/33/20/483013320.db2.gz JQXJMMPGYVRFOS-SOUVJXGZSA-N 2 0 294.395 1.374 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000250862920 483028648 /nfs/dbraw/zinc/02/86/48/483028648.db2.gz QQBIFWNAFDGFED-IGQOVBAYSA-N 2 0 265.401 1.104 10 0 CDAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccoc1C1CC1 ZINC000684966962 483041942 /nfs/dbraw/zinc/04/19/42/483041942.db2.gz ROWCXZDMDSEMMO-UHFFFAOYSA-N 2 0 293.411 1.722 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089457926 483080813 /nfs/dbraw/zinc/08/08/13/483080813.db2.gz HZBOMLMQIOSSFC-JKSUJKDBSA-N 2 0 295.471 1.942 10 0 CDAERP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000674721561 483092067 /nfs/dbraw/zinc/09/20/67/483092067.db2.gz DGHLHJCLBWLMNL-MCIONIFRSA-N 2 0 282.432 1.062 10 0 CDAERP O=C(C[C@H]1CC[NH2+]C1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000089748171 483131422 /nfs/dbraw/zinc/13/14/22/483131422.db2.gz LNFUCMBTWXKOHK-ZIAGYGMSSA-N 2 0 265.401 1.073 10 0 CDAERP CN(CC1([NH+](C)C)CCC1)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000682089372 483132839 /nfs/dbraw/zinc/13/28/39/483132839.db2.gz NKQOQBNNVIITSB-ZDUSSCGKSA-N 2 0 282.432 1.206 10 0 CDAERP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000669491373 483279977 /nfs/dbraw/zinc/27/99/77/483279977.db2.gz WXBSTXQQYADILH-DZGCQCFKSA-N 2 0 292.427 1.007 10 0 CDAERP C[NH+]1CCC(C[NH2+]CC2(C)CCC2)(N2CCOCC2)CC1 ZINC000414480279 483280300 /nfs/dbraw/zinc/28/03/00/483280300.db2.gz JCUGJKFBUBVLFS-UHFFFAOYSA-N 2 0 295.471 1.563 10 0 CDAERP CC(C)C[C@H](CNC(=O)C[C@@H]([NH3+])C(C)C)[NH+](C)C ZINC000136430254 483403221 /nfs/dbraw/zinc/40/32/21/483403221.db2.gz IHYRUPNRQOURNP-CHWSQXEVSA-N 2 0 257.422 1.452 10 0 CDAERP CNC(=O)[C@@]1(C)CC[N@H+](Cc2ccnn2-c2ccncc2)C1 ZINC000668098175 483563312 /nfs/dbraw/zinc/56/33/12/483563312.db2.gz BKGGQVKLOLNRGW-INIZCTEOSA-N 2 0 299.378 1.225 10 0 CDAERP c1ccc(C[N@H+]2CCCN(C[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000323834708 483615057 /nfs/dbraw/zinc/61/50/57/483615057.db2.gz RKGXDMBRNIMUMP-KRWDZBQOSA-N 2 0 289.423 1.183 10 0 CDAERP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]CCC1CC1)[NH+](C)C ZINC001483263105 1160887642 /nfs/dbraw/zinc/88/76/42/1160887642.db2.gz PCNIZEDAVIQFKP-GXTWGEPZSA-N 2 0 269.433 1.467 10 0 CDAERP CC(C)[NH2+][C@](C)(C[C@@H](C)N1CC[N@H+](C)C(C)(C)C1)C(N)=O ZINC000068646873 519740126 /nfs/dbraw/zinc/74/01/26/519740126.db2.gz JGIVFDZCMOQXFK-CZUORRHYSA-N 2 0 298.475 1.033 10 0 CDAERP CCC[NH2+]CC1(C[NH+]2CCC(CO)CC2)CCOCC1 ZINC000052180468 519909839 /nfs/dbraw/zinc/90/98/39/519909839.db2.gz PNZPYBBENLBAFU-UHFFFAOYSA-N 2 0 284.444 1.487 10 0 CDAERP CC[NH2+]Cc1cn(CC[N@H+](C)[C@H](C)CC(C)C)nn1 ZINC000052571927 520012044 /nfs/dbraw/zinc/01/20/44/520012044.db2.gz OUBOQJNOVBIFRZ-CYBMUJFWSA-N 2 0 267.421 1.754 10 0 CDAERP CCC[NH2+][C@@](C)(C[C@H](C)N1CC[NH+](C(C)C)CC1)C(N)=O ZINC000068625782 520045302 /nfs/dbraw/zinc/04/53/02/520045302.db2.gz VKIRVZPOGZUTCJ-HOCLYGCPSA-N 2 0 298.475 1.035 10 0 CDAERP CC[NH2+][C@@](C)(CO)CCCC[NH+]1CCC(COC)CC1 ZINC000070335679 520136640 /nfs/dbraw/zinc/13/66/40/520136640.db2.gz IESTUJNEBQTHFB-MRXNPFEDSA-N 2 0 286.460 1.876 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccccc1 ZINC001485854526 1161443198 /nfs/dbraw/zinc/44/31/98/1161443198.db2.gz FLRXMBRYAAQNJX-HOCLYGCPSA-N 2 0 289.423 1.717 10 0 CDAERP C[NH2+]Cc1oc(C[N@H+](C)C2CCOCC2)cc1C ZINC000052481318 522160474 /nfs/dbraw/zinc/16/04/74/522160474.db2.gz LFOLULNEYDQFFO-UHFFFAOYSA-N 2 0 252.358 1.918 10 0 CDAERP CC(C)(C)[NH2+]C[C@@H]1CC[C@H](C[NH+]2CCN(C3CC3)CC2)O1 ZINC000052371404 518760818 /nfs/dbraw/zinc/76/08/18/518760818.db2.gz JVUCWMGSTDJABJ-JKSUJKDBSA-N 2 0 295.471 1.702 10 0 CDAERP CC(C)[NH+]1CCN(C[C@@H]2CC[C@H](C[NH2+]C(C)(C)C)O2)CC1 ZINC000052480133 519681999 /nfs/dbraw/zinc/68/19/99/519681999.db2.gz OCUMEDCSCDHYDY-CVEARBPZSA-N 2 0 297.487 1.948 10 0 CDAERP CC(C)[NH2+]C[C@H]1CC[C@@H](C[NH+]2CCC(C[NH+](C)C)CC2)O1 ZINC000052515459 519725044 /nfs/dbraw/zinc/72/50/44/519725044.db2.gz MKNKRPXWTXCGAS-SJORKVTESA-N 3 0 297.487 1.806 10 0 CDAERP CC(C)[NH2+]Cc1cn(CC[N@H+](C)C2CCCC2)nn1 ZINC000052444841 519727775 /nfs/dbraw/zinc/72/77/75/519727775.db2.gz WXISSXFJMZSXPL-UHFFFAOYSA-N 2 0 265.405 1.651 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CC[C@@H](C[NH+]2CCSCC2)O1 ZINC000052443299 519746426 /nfs/dbraw/zinc/74/64/26/519746426.db2.gz OBYLZYFYFRFZCW-KGLIPLIRSA-N 2 0 272.458 1.828 10 0 CDAERP CCC[NH+]1CCN(C(=O)[C@H]2CCC[C@H](C)[C@@H]2[NH3+])CC1 ZINC000055124567 519856560 /nfs/dbraw/zinc/85/65/60/519856560.db2.gz QJBUVWIVYCQMQG-IHRRRGAJSA-N 2 0 267.417 1.304 10 0 CDAERP CCC[NH+]1CCN(C[C@H]2CC[C@H](C[NH2+]CC)O2)CC1 ZINC000052422015 519858546 /nfs/dbraw/zinc/85/85/46/519858546.db2.gz GQXAXDBHDSSDLD-HUUCEWRRSA-N 2 0 269.433 1.171 10 0 CDAERP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](CC)Cn2cncn2)C1 ZINC000353421798 519861951 /nfs/dbraw/zinc/86/19/51/519861951.db2.gz AUJZMTHWEUGKBU-KBPBESRZSA-N 2 0 265.405 1.378 10 0 CDAERP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](CC)Cn2cncn2)C1 ZINC000353421800 519862161 /nfs/dbraw/zinc/86/21/61/519862161.db2.gz AUJZMTHWEUGKBU-UONOGXRCSA-N 2 0 265.405 1.378 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000061296635 519904102 /nfs/dbraw/zinc/90/41/02/519904102.db2.gz VPXAVWPQGKCRPX-UHFFFAOYSA-N 2 0 255.406 1.175 10 0 CDAERP CCC[NH2+]CC1(C[N@H+](C)C[C@H](C)O)CCOCC1 ZINC000052198266 519909674 /nfs/dbraw/zinc/90/96/74/519909674.db2.gz MUSAIZDTVOFEOK-ZDUSSCGKSA-N 2 0 258.406 1.095 10 0 CDAERP CC[NH2+]CC1(C[N@H+](CC)[C@@H](C)COC)CCOCC1 ZINC000052182326 519912444 /nfs/dbraw/zinc/91/24/44/519912444.db2.gz LJIAOUDLYAHIBC-AWEZNQCLSA-N 2 0 272.433 1.750 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@@H](C[N@H+]2C[C@@H](C)O[C@@H](C)C2)O1 ZINC000052380808 519925269 /nfs/dbraw/zinc/92/52/69/519925269.db2.gz CRWYDKFWYDDJGA-XGUBFFRZSA-N 2 0 270.417 1.643 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000061230353 519936003 /nfs/dbraw/zinc/93/60/03/519936003.db2.gz MHSORKJCNBWRCU-OLZOCXBDSA-N 2 0 255.406 1.223 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000061230358 519937066 /nfs/dbraw/zinc/93/70/66/519937066.db2.gz MHSORKJCNBWRCU-CHWSQXEVSA-N 2 0 255.406 1.223 10 0 CDAERP CC[NH2+]C[C@@H](C)c1nc(CC[NH+](CC)CC)no1 ZINC000061219848 519944999 /nfs/dbraw/zinc/94/49/99/519944999.db2.gz LDWTYLWZEJUYOL-LLVKDONJSA-N 2 0 254.378 1.667 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@@H](C[N@@H+]2CCOCC2(C)C)O1 ZINC000052546185 519953851 /nfs/dbraw/zinc/95/38/51/519953851.db2.gz UCFFNIBVQRAXFL-STQMWFEESA-N 2 0 256.390 1.254 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@H](C[N@H+]2C[C@@H](C)O[C@@H](C)C2)O1 ZINC000052380797 519956194 /nfs/dbraw/zinc/95/61/94/519956194.db2.gz JAAOEOHGBRDMQR-RFQIPJPRSA-N 2 0 256.390 1.253 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000061267099 519961677 /nfs/dbraw/zinc/96/16/77/519961677.db2.gz GNDUSASLYGVAFT-NSHDSACASA-N 2 0 269.433 1.657 10 0 CDAERP CC[NH2+]Cc1cn(CC[N@H+](CC)[C@H](C)CC)nn1 ZINC000052451245 520013399 /nfs/dbraw/zinc/01/33/99/520013399.db2.gz ILLYIEDXKYZNQS-GFCCVEGCSA-N 2 0 253.394 1.508 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)Nc1cnn(CC[NH+](CC)CC)c1 ZINC000061271661 520070776 /nfs/dbraw/zinc/07/07/76/520070776.db2.gz CLKLVRUVAHTKPB-ZDUSSCGKSA-N 2 0 295.431 1.552 10 0 CDAERP CC[NH2+][C@H]1CCOC[C@H]1N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055065708 520217735 /nfs/dbraw/zinc/21/77/35/520217735.db2.gz LGBBAUDWRCVQIA-SOUVJXGZSA-N 2 0 269.433 1.170 10 0 CDAERP CC[NH+](CC)CCCNC(=O)C1CCC(C[NH3+])CC1 ZINC000055145722 520610564 /nfs/dbraw/zinc/61/05/64/520610564.db2.gz SBICZXWAZRCENY-UHFFFAOYSA-N 2 0 269.433 1.600 10 0 CDAERP CC[NH+](CC)CCC[C@H](C)[NH2+]CCC(=O)NC1CC1 ZINC000054049489 520637270 /nfs/dbraw/zinc/63/72/70/520637270.db2.gz XAQWGQDEOYVWHY-ZDUSSCGKSA-N 2 0 269.433 1.755 10 0 CDAERP CCC[C@@H](C)NC(=O)C[N@H+](CCC[NH3+])C1CCCC1 ZINC000049287602 520655684 /nfs/dbraw/zinc/65/56/84/520655684.db2.gz CYZBTALMVIWYGQ-CYBMUJFWSA-N 2 0 269.433 1.885 10 0 CDAERP CC[NH+](CC)CCc1nccc(C[NH2+]C(C)C)n1 ZINC000054791727 520713859 /nfs/dbraw/zinc/71/38/59/520713859.db2.gz SLEQCMJIRIAHEM-UHFFFAOYSA-N 2 0 250.390 1.859 10 0 CDAERP CCC[C@@H]([NH2+]CC)[C@@H](CC)N1CCN(CC[NH+](C)C)CC1 ZINC000061643973 520772276 /nfs/dbraw/zinc/77/22/76/520772276.db2.gz RUGOSACTMQEMPL-IAGOWNOFSA-N 2 0 298.519 1.722 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@@H]2[C@@H](C)CCC[C@@H]2[NH3+])CC1 ZINC000055140068 521551828 /nfs/dbraw/zinc/55/18/28/521551828.db2.gz DONPGZZTVCCOMI-AEGPPILISA-N 2 0 281.444 1.598 10 0 CDAERP CCCN(CC[NH+](C)C)c1nc(C)cc(C)c1C[NH3+] ZINC000045661383 521658802 /nfs/dbraw/zinc/65/88/02/521658802.db2.gz JXSUARIWUZXRQE-UHFFFAOYSA-N 2 0 264.417 1.935 10 0 CDAERP CN(C)C[C@H]1CCC[N@@H+]1CCC[C@@H]1CCC[NH2+]C1 ZINC000061652466 521869636 /nfs/dbraw/zinc/86/96/36/521869636.db2.gz WXSRBVLQKVHHJT-LSDHHAIUSA-N 2 0 253.434 1.792 10 0 CDAERP C[NH2+]CC(C)(C)CN1CC[NH+](C2CCCC2)CC1 ZINC000052063756 521964718 /nfs/dbraw/zinc/96/47/18/521964718.db2.gz GMURSWRWFWCNED-UHFFFAOYSA-N 2 0 253.434 1.792 10 0 CDAERP C[NH2+]Cc1ccc(N2CC[C@H]([NH+]3CCCCC3)C2)nc1 ZINC000062971499 522119359 /nfs/dbraw/zinc/11/93/59/522119359.db2.gz YCCJMRLDULDMBX-HNNXBMFYSA-N 2 0 274.412 1.866 10 0 CDAERP COCC[N@H+](Cc1occc1C[NH3+])[C@@H](C)COC ZINC000052572342 523778526 /nfs/dbraw/zinc/77/85/26/523778526.db2.gz QMAHUSVYYYLETQ-NSHDSACASA-N 2 0 256.346 1.222 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C[C@@]2(C[NH2+]C)CCOC2)CC1 ZINC000055071760 523955613 /nfs/dbraw/zinc/95/56/13/523955613.db2.gz PHIPDQUFDLWIBJ-GJZGRUSLSA-N 2 0 269.433 1.029 10 0 CDAERP CC[C@H](C)[NH+]1CCN(Cc2ccoc2C[NH3+])CC1 ZINC000055073700 523956357 /nfs/dbraw/zinc/95/63/57/523956357.db2.gz JONNXRHWJZPDAQ-LBPRGKRZSA-N 2 0 251.374 1.654 10 0 CDAERP CC[C@H](C)[NH+]1CCN(Cc2ccc(NN)[nH+]c2)CC1 ZINC000055071360 523957048 /nfs/dbraw/zinc/95/70/48/523957048.db2.gz VUDFARLBAWTVHD-LBPRGKRZSA-N 2 0 263.389 1.283 10 0 CDAERP CC[C@H](C)[NH+]1CCN([C@@H](C[NH3+])Cc2ccccc2)CC1 ZINC000055064585 523958100 /nfs/dbraw/zinc/95/81/00/523958100.db2.gz CHLVTYLTYGMNKU-DOTOQJQBSA-N 2 0 275.440 1.973 10 0 CDAERP CC[C@H](C)[NH+]1CCN([C@@H](C)CC[NH2+]C2CC2)CC1 ZINC000055074866 523958353 /nfs/dbraw/zinc/95/83/53/523958353.db2.gz AWYBGKQVUREIRS-KBPBESRZSA-N 2 0 253.434 1.933 10 0 CDAERP C[NH+](C)CC(C)(C)CNC(=O)[C@H]1CCC[C@H](CC[NH3+])C1 ZINC000055146282 524046124 /nfs/dbraw/zinc/04/61/24/524046124.db2.gz YBOUPTUMSWVKQO-KGLIPLIRSA-N 2 0 283.460 1.846 10 0 CDAERP C[NH+](C)CC1CC[NH+](C[C@H]2CC[C@H](C[NH2+]C3CC3)O2)CC1 ZINC000052515464 524049691 /nfs/dbraw/zinc/04/96/91/524049691.db2.gz ROXORSRSHCITCW-IAGOWNOFSA-N 3 0 295.471 1.560 10 0 CDAERP C[NH+](C)CCCCNC(=O)[C@@H]1CCC[C@H](C[NH3+])C1 ZINC000055162581 524052198 /nfs/dbraw/zinc/05/21/98/524052198.db2.gz XQNSMGLBIUDZSS-QWHCGFSZSA-N 2 0 255.406 1.210 10 0 CDAERP C[NH+](C)CCCN1CCC[NH2+][C@@H](Cc2ccccc2)C1 ZINC000062669344 524055478 /nfs/dbraw/zinc/05/54/78/524055478.db2.gz SPDKWRMZAOMMBQ-KRWDZBQOSA-N 2 0 275.440 1.845 10 0 CDAERP C[C@@H]1CCCC[C@H]1[N@H+](C)CCN1CCC[NH2+]CC1 ZINC000061275534 524162616 /nfs/dbraw/zinc/16/26/16/524162616.db2.gz JFPQIFLSUOALGL-HUUCEWRRSA-N 2 0 253.434 1.792 10 0 CDAERP C[C@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)N1CCC([NH+](C)C)CC1 ZINC000055128231 524204200 /nfs/dbraw/zinc/20/42/00/524204200.db2.gz QWTRJWUYGKWTLK-FPMFFAJLSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@H]1C[C@H](C(=O)NCCC[NH+]2CCCC2)CC[C@@H]1[NH3+] ZINC000062073350 524867309 /nfs/dbraw/zinc/86/73/09/524867309.db2.gz IBUKCMKSRAZWKG-MJBXVCDLSA-N 2 0 267.417 1.352 10 0 CDAERP C[C@@H]([NH3+])c1c(F)cccc1N1CCN(CC[NH+](C)C)CC1 ZINC000061644876 525023751 /nfs/dbraw/zinc/02/37/51/525023751.db2.gz DTNWUJLQICJBPA-CYBMUJFWSA-N 2 0 294.418 1.529 10 0 CDAERP C[C@@H]([NH3+])c1cccc(S(=O)(=O)N[C@H](C)CC[NH+](C)C)c1 ZINC000049560566 525031074 /nfs/dbraw/zinc/03/10/74/525031074.db2.gz DWCUKZYCYKJSAO-VXGBXAGGSA-N 2 0 299.440 1.325 10 0 CDAERP O=C(CC[C@@H]1CCCC[NH2+]1)N[C@@H]1C[NH+]2CCC1CC2 ZINC000050940082 526548140 /nfs/dbraw/zinc/54/81/40/526548140.db2.gz XCGGLKLRJLBQBG-UONOGXRCSA-N 2 0 265.401 1.119 10 0 CDAERP [NH3+]C[C@@H](C1CCOCC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000062978584 527201800 /nfs/dbraw/zinc/20/18/00/527201800.db2.gz JTEDGPMTQOCHON-CVEARBPZSA-N 2 0 281.444 1.301 10 0 CDAERP [NH3+][C@H]1CCC[C@@H](C(=O)NCC[NH+]2CCCCCC2)C1 ZINC000055089290 527401481 /nfs/dbraw/zinc/40/14/81/527401481.db2.gz UOMYWMNMUQVSSU-KGLIPLIRSA-N 2 0 267.417 1.496 10 0 CDAERP CC(C)n1cncc1C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000424134420 535103740 /nfs/dbraw/zinc/10/37/40/535103740.db2.gz NOOFEEFDXQGFFR-UHFFFAOYSA-N 2 0 293.459 1.580 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)CC1 ZINC000335391179 535145529 /nfs/dbraw/zinc/14/55/29/535145529.db2.gz VMNYIJJIJFWADF-CZUORRHYSA-N 2 0 281.444 1.550 10 0 CDAERP CC[NH2+]CCNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000417182419 535472524 /nfs/dbraw/zinc/47/25/24/535472524.db2.gz JBPYVIZWLDYHFD-HNNXBMFYSA-N 2 0 292.427 1.068 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(F)c(F)c1 ZINC000234730445 536596503 /nfs/dbraw/zinc/59/65/03/536596503.db2.gz VTMHOSQNDVITGI-LLVKDONJSA-N 2 0 258.312 1.808 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(F)c(C)c1 ZINC000422800151 536596541 /nfs/dbraw/zinc/59/65/41/536596541.db2.gz ZGTVSTQITUHTOI-CYBMUJFWSA-N 2 0 254.349 1.978 10 0 CDAERP COc1cc(C)nc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000214046413 536690832 /nfs/dbraw/zinc/69/08/32/536690832.db2.gz BKFHPOJQSLTCDA-ZDUSSCGKSA-N 2 0 263.385 1.959 10 0 CDAERP C[NH+](C)CCN1CCC([NH2+]Cc2ccoc2)CC1 ZINC000727466222 574584355 /nfs/dbraw/zinc/58/43/55/574584355.db2.gz AAIKMXNUYGBOJI-UHFFFAOYSA-N 2 0 251.374 1.395 10 0 CDAERP Cc1nn(C)c2sc([C@@H]3C[C@H]([NH3+])CC[NH2+]3)cc12 ZINC000757216052 574908053 /nfs/dbraw/zinc/90/80/53/574908053.db2.gz PDGLVJIFXLNWJD-SCZZXKLOSA-N 2 0 250.371 1.695 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=S)NCC[NH+](C)C)[C@@H](C)C1 ZINC000741487192 576561637 /nfs/dbraw/zinc/56/16/37/576561637.db2.gz JYYPUDXOCXXION-QWHCGFSZSA-N 2 0 286.489 1.085 10 0 CDAERP C[NH+](C)Cc1ccc(C[N@H+](C)[C@H]2CCNC2=O)cc1 ZINC000770383215 575444019 /nfs/dbraw/zinc/44/40/19/575444019.db2.gz UQPBBKYLHNNYNU-AWEZNQCLSA-N 2 0 261.369 1.069 10 0 CDAERP C[C@H]([NH2+]CCCO)[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001689906225 1175301730 /nfs/dbraw/zinc/30/17/30/1175301730.db2.gz RXIKLOZWIWUMLZ-GJZGRUSLSA-N 2 0 299.459 1.070 10 0 CDAERP CCc1nncn1CC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925514755 617421655 /nfs/dbraw/zinc/42/16/55/617421655.db2.gz LQMKZEHSGBXWGI-VXGBXAGGSA-N 2 0 265.405 1.336 10 0 CDAERP CCn1nc(C)c([C@@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)n1 ZINC000926116400 617416573 /nfs/dbraw/zinc/41/65/73/617416573.db2.gz ZAMUMTDBRJGBMD-GFCCVEGCSA-N 2 0 279.432 1.989 10 0 CDAERP CC1(C)[C@H]([NH2+]C[C@@H](O)C2CCOCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925617255 617562275 /nfs/dbraw/zinc/56/22/75/617562275.db2.gz CBYHDCWSTXRMGK-APIJFGDWSA-N 2 0 282.428 1.140 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@@H](O)C2CCOCC2)C1 ZINC000925619604 617565479 /nfs/dbraw/zinc/56/54/79/617565479.db2.gz PMRPNTASEMIODK-MGPQQGTHSA-N 2 0 270.417 1.270 10 0 CDAERP CC1(C)C[C@@H]([NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)C[C@@H]([NH3+])C1 ZINC000925726418 617961239 /nfs/dbraw/zinc/96/12/39/617961239.db2.gz SMQUZHYHSAJEDW-NNWKIESISA-N 2 0 264.413 1.905 10 0 CDAERP Cc1nnc(CC[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)s1 ZINC000925669975 617627448 /nfs/dbraw/zinc/62/74/48/617627448.db2.gz ZXQFALSLDRRBMB-QWRGUYRKSA-N 2 0 268.430 1.885 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925791555 617717397 /nfs/dbraw/zinc/71/73/97/617717397.db2.gz AZFXHPAHWSDDAN-MXASKKJJSA-N 3 0 279.472 1.990 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1N[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925700470 617743181 /nfs/dbraw/zinc/74/31/81/617743181.db2.gz QEXYBXGJSVEZFO-XGFWRYKXSA-N 2 0 251.418 1.351 10 0 CDAERP CN1C[C@H](CC[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1=O ZINC000925812712 617756599 /nfs/dbraw/zinc/75/65/99/617756599.db2.gz NFMPRBSHULCGAL-FRRDWIJNSA-N 2 0 267.417 1.350 10 0 CDAERP CN1C[C@H](CC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1=O ZINC000925813254 617759460 /nfs/dbraw/zinc/75/94/60/617759460.db2.gz RAOPKSGKLXZVFI-BMFZPTHFSA-N 2 0 293.455 1.613 10 0 CDAERP CCC1(CC)[C@H]([NH2+]CCN2CCC([NH3+])CC2)C[C@@H]1OC ZINC000925813871 617761585 /nfs/dbraw/zinc/76/15/85/617761585.db2.gz CWTWDLKLGCSBRA-CABCVRRESA-N 2 0 283.460 1.593 10 0 CDAERP COC[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C1CCOCC1 ZINC000925707831 617797717 /nfs/dbraw/zinc/79/77/17/617797717.db2.gz PNAZDLBEKBWUIL-SBOZNWLOSA-N 2 0 280.412 1.014 10 0 CDAERP C[C@H]([NH2+]CC[C@H]1CC[C@H](C(F)(F)F)O1)C1C[NH2+]C1 ZINC000925828155 617842010 /nfs/dbraw/zinc/84/20/10/617842010.db2.gz DQKYCEHNPLVCHA-JMJZKYOTSA-N 2 0 266.307 1.684 10 0 CDAERP C[NH+](C)CC[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1cccnc1 ZINC000925828744 617845454 /nfs/dbraw/zinc/84/54/54/617845454.db2.gz ZNALSPSZRWPFNS-PMPSAXMXSA-N 2 0 276.428 1.934 10 0 CDAERP C(CO[C@@H]1CCOC1)[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925875855 617947548 /nfs/dbraw/zinc/94/75/48/617947548.db2.gz XGJHYLVZRDEZNZ-PMPSAXMXSA-N 2 0 282.428 1.550 10 0 CDAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CO[C@@H](C)[C@@H]2C)CC1 ZINC000924950244 618374111 /nfs/dbraw/zinc/37/41/11/618374111.db2.gz IOYBXUBPOPWBSK-FXUDXRNXSA-N 2 0 283.460 1.273 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1CC[NH+](C)[C@@H]1C ZINC000928447201 619095067 /nfs/dbraw/zinc/09/50/67/619095067.db2.gz JHVUUCZFXPBAPN-XQHKEYJVSA-N 2 0 253.390 1.068 10 0 CDAERP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)C1 ZINC000902793798 625410687 /nfs/dbraw/zinc/41/06/87/625410687.db2.gz MFZIJXMYQPFRFU-FZKCQIBNSA-N 2 0 293.455 1.742 10 0 CDAERP C[N@H+](CCCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)C1CC1 ZINC000909555141 620287680 /nfs/dbraw/zinc/28/76/80/620287680.db2.gz IBJDTFJSQWIDOO-HZPDHXFCSA-N 2 0 293.455 1.994 10 0 CDAERP CC(C)[C@@H](C[NH2+][C@@H](C)c1ccnnc1)N1CC[NH+](C)CC1 ZINC000924631849 621611029 /nfs/dbraw/zinc/61/10/29/621611029.db2.gz OYLUYGFEMVFMTC-GOEBONIOSA-N 2 0 291.443 1.399 10 0 CDAERP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccns1 ZINC000924633751 621614206 /nfs/dbraw/zinc/61/42/06/621614206.db2.gz SNQGAWXRDOBYCO-GFCCVEGCSA-N 2 0 282.457 1.820 10 0 CDAERP CCO[C@@H](CN[C@@H]1CCCc2c1cnn2C)C[NH+](C)C ZINC000926967076 621636879 /nfs/dbraw/zinc/63/68/79/621636879.db2.gz ZTTPPHCLEISDKC-GXTWGEPZSA-N 2 0 280.416 1.354 10 0 CDAERP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccns2)CC1 ZINC000924667473 621645654 /nfs/dbraw/zinc/64/56/54/621645654.db2.gz KEYNEMMTORLATJ-STQMWFEESA-N 2 0 282.457 1.820 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CC([NH+]2CCCC2)C1 ZINC000898602846 621814752 /nfs/dbraw/zinc/81/47/52/621814752.db2.gz FNDSPKGRMLJZAR-CQSZACIVSA-N 2 0 279.428 1.558 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC000900884558 623606154 /nfs/dbraw/zinc/60/61/54/623606154.db2.gz BYKWPNFDMSONQI-XHSDSOJGSA-N 2 0 293.455 1.946 10 0 CDAERP C1CC1[N@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CCCOC1)C2 ZINC000903094530 625848788 /nfs/dbraw/zinc/84/87/88/625848788.db2.gz ZWAPQCFLJPVDPP-YPRXJGMQSA-N 2 0 250.386 1.913 10 0 CDAERP CN1C[C@H](CC[NH2+]C2CC[NH+](C(C)(C)C)CC2)CC1=O ZINC000903219633 625915015 /nfs/dbraw/zinc/91/50/15/625915015.db2.gz RNTYGNRPAIXQOG-CYBMUJFWSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903383319 625981381 /nfs/dbraw/zinc/98/13/81/625981381.db2.gz LQOKSOZYEHAQCC-KBMXLJTQSA-N 2 0 276.428 1.614 10 0 CDAERP Cc1nc([C@H]2CC[N@H+](CC3CC[NH2+]CC3)C2)no1 ZINC000903415286 625986707 /nfs/dbraw/zinc/98/67/07/625986707.db2.gz IVWUGBVKYGWJMR-LBPRGKRZSA-N 2 0 250.346 1.167 10 0 CDAERP CCCCNC(=O)[C@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903434531 625991115 /nfs/dbraw/zinc/99/11/15/625991115.db2.gz HLHQWZCAYCJMSJ-ILXRZTDVSA-N 2 0 281.444 1.742 10 0 CDAERP CC(C)[C@@H](C)NC(=O)C1CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903434367 625991344 /nfs/dbraw/zinc/99/13/44/625991344.db2.gz FEEPEZWPQADAHF-FMKPAKJESA-N 2 0 295.471 1.715 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000903438365 625991973 /nfs/dbraw/zinc/99/19/73/625991973.db2.gz UWKULGCINLCJNJ-UKPHBRMFSA-N 2 0 274.408 1.824 10 0 CDAERP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903443641 625997550 /nfs/dbraw/zinc/99/75/50/625997550.db2.gz GJDUOBPQPBPIIS-KFWWJZLASA-N 3 0 253.434 1.778 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000903444495 625998014 /nfs/dbraw/zinc/99/80/14/625998014.db2.gz AGFXTNMNRVQBAZ-NFAWXSAZSA-N 2 0 262.401 1.140 10 0 CDAERP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903444958 625998412 /nfs/dbraw/zinc/99/84/12/625998412.db2.gz GNAHMYFXMRWJHI-OAGGEKHMSA-N 3 0 265.445 1.778 10 0 CDAERP CCOC(=O)CC1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903455125 626002021 /nfs/dbraw/zinc/00/20/21/626002021.db2.gz QOOSQPVNRDYVTD-KGLIPLIRSA-N 2 0 268.401 1.779 10 0 CDAERP COC[C@@H](C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1)C(C)C ZINC000903473968 626004564 /nfs/dbraw/zinc/00/45/64/626004564.db2.gz CPOSWBOGVMLTDK-SJORKVTESA-N 2 0 298.471 1.996 10 0 CDAERP CCn1nnc(C)c1C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903498474 626008574 /nfs/dbraw/zinc/00/85/74/626008574.db2.gz GXRCRJUYGGCLMJ-ZYHUDNBSSA-N 2 0 251.378 1.023 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)N(C)[C@@H]2CCCC[C@@H]2C)C[C@H]1CC[NH3+] ZINC000903496722 626011973 /nfs/dbraw/zinc/01/19/73/626011973.db2.gz ABLJUTQJOMZIHT-ZJIFWQFVSA-N 2 0 295.471 1.940 10 0 CDAERP CC[NH+](CC)CCCN1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903513696 626013444 /nfs/dbraw/zinc/01/34/44/626013444.db2.gz TVHGBIDQNMMSQG-GHMZBOCLSA-N 2 0 267.339 1.540 10 0 CDAERP C[C@]1([C@H]2CCC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)COC(=O)N1 ZINC000903561264 626019316 /nfs/dbraw/zinc/01/93/16/626019316.db2.gz HUYPHEKPBTVUSP-KCQAQPDRSA-N 2 0 281.400 1.197 10 0 CDAERP C(c1[nH]nc2c1COCC2)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000903742967 626079748 /nfs/dbraw/zinc/07/97/48/626079748.db2.gz DRLXPAVPWMLPGM-UHFFFAOYSA-N 2 0 276.384 1.058 10 0 CDAERP C([C@@H]1CNCCO1)[N@@H+]1CCCSC[C@@H]1C1CC1 ZINC000903826932 626104801 /nfs/dbraw/zinc/10/48/01/626104801.db2.gz OETGRVDGYOVCDY-QWHCGFSZSA-N 2 0 256.415 1.192 10 0 CDAERP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@@H+]1CCCSC[C@@H]1C1CC1 ZINC000903827446 626105616 /nfs/dbraw/zinc/10/56/16/626105616.db2.gz SYGZATARKNRDQY-BZUAXINKSA-N 2 0 296.480 1.973 10 0 CDAERP CC(C)[C@H]([NH3+])CCN(C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903873302 626127166 /nfs/dbraw/zinc/12/71/66/626127166.db2.gz GQGUTPHVPDFXIJ-UKRRQHHQSA-N 2 0 294.447 1.008 10 0 CDAERP O=S1(=O)CC[C@H]([N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CC2)C1 ZINC000903884067 626132282 /nfs/dbraw/zinc/13/22/82/626132282.db2.gz QJMHJDCHOQMGAL-FLTXBFBQSA-N 2 0 298.452 1.169 10 0 CDAERP CC[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)C[C@@H]1CCOC1 ZINC000903883902 626132608 /nfs/dbraw/zinc/13/26/08/626132608.db2.gz LQRPQQRBQCQEIV-UONOGXRCSA-N 2 0 293.415 1.061 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)CC(C)(C)C)cnn1C ZINC000903885435 626133079 /nfs/dbraw/zinc/13/30/79/626133079.db2.gz HQRHLZRNGPSHQE-ZDUSSCGKSA-N 2 0 266.433 1.824 10 0 CDAERP CSC[C@H]1CCC[N@@H+]1C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903900084 626137910 /nfs/dbraw/zinc/13/79/10/626137910.db2.gz ZPEPFADBWNYMPT-UKRRQHHQSA-N 2 0 296.484 1.673 10 0 CDAERP CC[C@H]1CCC[N@@H+]1C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903903941 626140204 /nfs/dbraw/zinc/14/02/04/626140204.db2.gz NJPMGBINKRFLID-HIFRSBDPSA-N 2 0 264.417 1.720 10 0 CDAERP c1ccc2c(c1)CCN[C@@H]2C[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918514 626145932 /nfs/dbraw/zinc/14/59/32/626145932.db2.gz AVIBMLVGPGRKTO-NPVYPNSJSA-N 2 0 285.435 1.994 10 0 CDAERP Cc1cccc(CC[NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)c1 ZINC000903924312 626148322 /nfs/dbraw/zinc/14/83/22/626148322.db2.gz CBQLWCUNQGGVKW-MRXNPFEDSA-N 2 0 299.422 1.843 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[NH2+]C[C@H]2CCCCO2)cnn1C ZINC000903926386 626149227 /nfs/dbraw/zinc/14/92/27/626149227.db2.gz LQNXPCCCEQBGEA-UKRRQHHQSA-N 2 0 280.416 1.005 10 0 CDAERP COC(=O)[C@@]1(C)CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903929855 626150122 /nfs/dbraw/zinc/15/01/22/626150122.db2.gz MXWYBAJTHXVNHI-HUORLRHWSA-N 2 0 280.412 1.792 10 0 CDAERP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000903917874 626157085 /nfs/dbraw/zinc/15/70/85/626157085.db2.gz OBTAYPRLWHYIIH-WTXIUTQJSA-N 3 0 263.429 1.593 10 0 CDAERP COC[C@@H](CC(C)C)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903958185 626158164 /nfs/dbraw/zinc/15/81/64/626158164.db2.gz WWGLDIMRNKNNOV-VXGBXAGGSA-N 2 0 264.360 1.882 10 0 CDAERP [NH3+]Cc1nc2c(s1)CCN([C@H]1CCC[NH2+]CC1)C2 ZINC000903943957 626162054 /nfs/dbraw/zinc/16/20/54/626162054.db2.gz DNCVUFJSKVJXGI-JTQLQIEISA-N 2 0 266.414 1.102 10 0 CDAERP c1nnn2c1C[N@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)CCC2 ZINC000903950081 626164437 /nfs/dbraw/zinc/16/44/37/626164437.db2.gz HXYMSCTVFLTMIW-YHWZYXNKSA-N 2 0 261.373 1.014 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1ccccc1-n1cncn1 ZINC000903974813 626169115 /nfs/dbraw/zinc/16/91/15/626169115.db2.gz SZDBFKRTVXZCKU-ZIAGYGMSSA-N 2 0 285.395 1.603 10 0 CDAERP C[C@]1(CN2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)CC[NH2+]C1 ZINC000903983071 626169999 /nfs/dbraw/zinc/16/99/99/626169999.db2.gz BGDGEEDENUMIOV-AXFHLTTASA-N 2 0 265.323 1.198 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)C[C@@H]1C ZINC000903963543 626170999 /nfs/dbraw/zinc/17/09/99/626170999.db2.gz ARDXOYJFRLLIIR-MEBFFEOJSA-N 2 0 268.401 1.552 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000903965138 626171908 /nfs/dbraw/zinc/17/19/08/626171908.db2.gz XCGMXQYMOJAMHE-RISCZKNCSA-N 2 0 271.364 1.886 10 0 CDAERP Cc1nn(C)c2ncc(C[NH2+]C[C@@H]3C[NH2+]C[C@H]3C)cc12 ZINC000903965135 626171943 /nfs/dbraw/zinc/17/19/43/626171943.db2.gz WZNDMMBWQCEZSM-MFKMUULPSA-N 2 0 273.384 1.222 10 0 CDAERP C[C@@H](CNC(=[NH2+])NC[C@H]1CCCS1)[NH+]1CCCC1 ZINC000905041579 626380924 /nfs/dbraw/zinc/38/09/24/626380924.db2.gz KTQBZHSYXGAOCW-NWDGAFQWSA-N 2 0 270.446 1.480 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=[NH2+])NC[C@@H]1CCCS1 ZINC000905042615 626381737 /nfs/dbraw/zinc/38/17/37/626381737.db2.gz PMGCCXFUXWZEHR-NEPJUHHUSA-N 2 0 272.462 1.726 10 0 CDAERP CCCN(CC[NH+](CC)CC)C(=O)C12CC[NH+](CC1)C2 ZINC000907394263 627636835 /nfs/dbraw/zinc/63/68/35/627636835.db2.gz PJNLHDFQTOXDRO-UHFFFAOYSA-N 2 0 281.444 1.663 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)NC2CC([NH+](C)C)C2)C1 ZINC000908011725 627972309 /nfs/dbraw/zinc/97/23/09/627972309.db2.gz PSVOOAUGBBTPFS-HSBZDZAISA-N 2 0 267.417 1.317 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)C[NH+](C)C ZINC000908349084 628148744 /nfs/dbraw/zinc/14/87/44/628148744.db2.gz WCVRPMYNPRJVKI-MCIONIFRSA-N 2 0 267.417 1.317 10 0 CDAERP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC([NH+]2CCC2)CC1 ZINC000912875448 630260356 /nfs/dbraw/zinc/26/03/56/630260356.db2.gz GEGSKIXGQMTGQV-CYBMUJFWSA-N 2 0 281.444 1.850 10 0 CDAERP C[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@]2(C)C1 ZINC000913282757 630433163 /nfs/dbraw/zinc/43/31/63/630433163.db2.gz JXADDPYKPITLIC-BPUTZDHNSA-N 2 0 279.428 1.271 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000913287304 630435969 /nfs/dbraw/zinc/43/59/69/630435969.db2.gz ACEMDXNFIPZAKX-GJZGRUSLSA-N 2 0 267.417 1.128 10 0 CDAERP O[C@@H](C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)C1(O)CCCC1 ZINC000929698106 630708770 /nfs/dbraw/zinc/70/87/70/630708770.db2.gz YNESBXGPLRRXKI-CABCVRRESA-N 2 0 282.428 1.070 10 0 CDAERP CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000913990454 630942395 /nfs/dbraw/zinc/94/23/95/630942395.db2.gz MAQSVUXQBNQMRO-UKRRQHHQSA-N 2 0 296.459 1.499 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000914081129 631016370 /nfs/dbraw/zinc/01/63/70/631016370.db2.gz PYYJHUQXYCRXDD-MCIONIFRSA-N 2 0 282.432 1.253 10 0 CDAERP Cc1nccn1CCC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925473667 632685938 /nfs/dbraw/zinc/68/59/38/632685938.db2.gz NZOKUEPJCLQTDO-ILXRZTDVSA-N 2 0 276.428 1.948 10 0 CDAERP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000722395957 711576529 /nfs/dbraw/zinc/57/65/29/711576529.db2.gz PKCSFHFFMNXNII-IMSYWVGJSA-N 2 0 266.307 1.812 10 0 CDAERP C[C@@H](CNC(=O)CCC[NH+](C)C)[NH2+]CC1=CCCCC1 ZINC001690617181 1158668258 /nfs/dbraw/zinc/66/82/58/1158668258.db2.gz YKIKZIHDDYWICL-AWEZNQCLSA-N 2 0 281.444 1.923 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001670712882 1158715272 /nfs/dbraw/zinc/71/52/72/1158715272.db2.gz DPWIGJJANUJCFE-XETQRACLSA-N 2 0 293.455 1.875 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001266602125 1158652693 /nfs/dbraw/zinc/65/26/93/1158652693.db2.gz VUXJJSPZEMFSEA-RBSFLKMASA-N 2 0 281.444 1.898 10 0 CDAERP C1CC2(c3nc([C@H]4C[NH+]5CCC4CC5)no3)CCC1[NH2+]2 ZINC001772534404 1158761665 /nfs/dbraw/zinc/76/16/65/1158761665.db2.gz BHIXZGHQUJVUOS-AVERBVTBSA-N 2 0 274.368 1.620 10 0 CDAERP CCN(CC[NH2+]CC[C@H](C)F)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001699213748 1159334939 /nfs/dbraw/zinc/33/49/39/1159334939.db2.gz AMKNPJJWEIRUOA-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)OCC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001482548920 1160377676 /nfs/dbraw/zinc/37/76/76/1160377676.db2.gz UWQVRSMWOLFTFL-HUUCEWRRSA-N 2 0 299.459 1.236 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001649024537 1161180034 /nfs/dbraw/zinc/18/00/34/1161180034.db2.gz ZUWDAQXEROYSAD-CABCVRRESA-N 2 0 275.396 1.540 10 0 CDAERP O=C(NCCC[NH+]1CCCC1)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000227232417 1161420760 /nfs/dbraw/zinc/42/07/60/1161420760.db2.gz NEWVNFJBOWZJSK-PMPSAXMXSA-N 2 0 293.455 1.899 10 0 CDAERP C[C@@H](CC[NH+](C)C)NC(=O)C1([NH+](C)C)CCCC1 ZINC001627143339 1165978911 /nfs/dbraw/zinc/97/89/11/1165978911.db2.gz WFHTYSWMSJYRQD-LBPRGKRZSA-N 2 0 255.406 1.317 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@@H](C)CC[NH+](C)C ZINC001634355437 1166492852 /nfs/dbraw/zinc/49/28/52/1166492852.db2.gz GTQQCTVSWGGOSB-ZDUSSCGKSA-N 2 0 257.422 1.374 10 0 CDAERP [NH3+][C@@H]1CN(C(=O)[C@@H]2CCCC[C@H]2[NH3+])C[C@H]1c1ccccc1 ZINC001645879111 1167549055 /nfs/dbraw/zinc/54/90/55/1167549055.db2.gz FEBDIMKFLXCVHO-QKPAOTATSA-N 2 0 287.407 1.457 10 0 CDAERP Cc1nc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)sc1C ZINC001646062057 1167629405 /nfs/dbraw/zinc/62/94/05/1167629405.db2.gz WFKKAMIXABWQON-ZIAGYGMSSA-N 2 0 296.484 1.936 10 0 CDAERP O=C(c1ccn(-c2cc[nH+]cc2)n1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC001646266236 1167733712 /nfs/dbraw/zinc/73/37/12/1167733712.db2.gz AYYYTJHKIZZYQV-CQSZACIVSA-N 2 0 297.362 1.188 10 0 CDAERP CN(CCCNC(=O)CC[NH+](C)C)C/C(Cl)=C\Cl ZINC001566488807 1168306242 /nfs/dbraw/zinc/30/62/42/1168306242.db2.gz HXORUKFVIJPFOS-PKNBQFBNSA-N 2 0 296.242 1.695 10 0 CDAERP C[C@@H](O)CCC[NH2+][C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001568109562 1169138444 /nfs/dbraw/zinc/13/84/44/1169138444.db2.gz AARGHMJSSUUQGA-RBSFLKMASA-N 2 0 299.459 1.116 10 0 CDAERP CCN(CC[NH2+]CCOC1CCC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001568730373 1169452369 /nfs/dbraw/zinc/45/23/69/1169452369.db2.gz ABOBBPLRFPJSGF-HNNXBMFYSA-N 2 0 297.443 1.088 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@@H+]1CC1CCC1 ZINC001569382773 1169835613 /nfs/dbraw/zinc/83/56/13/1169835613.db2.gz DXHRBYUFSFQFIQ-CQSZACIVSA-N 2 0 265.401 1.073 10 0 CDAERP COCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001672901936 1173808909 /nfs/dbraw/zinc/80/89/09/1173808909.db2.gz NQGWITMETJUUEC-LSDHHAIUSA-N 2 0 299.459 1.047 10 0 CDAERP CC[N@H+](C)CCCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001673482538 1173860694 /nfs/dbraw/zinc/86/06/94/1173860694.db2.gz CSZYRYSJRKPDAP-ZDUSSCGKSA-N 2 0 255.406 1.128 10 0 CDAERP CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001676351813 1174212699 /nfs/dbraw/zinc/21/26/99/1174212699.db2.gz WWOFJBBTVWPFIH-TZMCWYRMSA-N 2 0 267.417 1.175 10 0 CDAERP CCCCC[NH2+]C/C=C\CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001699259105 1176183196 /nfs/dbraw/zinc/18/31/96/1176183196.db2.gz JSNSLRKNROKHPV-KJPDOMRESA-N 2 0 293.455 1.780 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001699385686 1176344658 /nfs/dbraw/zinc/34/46/58/1176344658.db2.gz WCCPCFSYLZNWSE-CHWSQXEVSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001699390205 1176349793 /nfs/dbraw/zinc/34/97/93/1176349793.db2.gz HTABHNBFJQGDPA-KGLIPLIRSA-N 2 0 269.433 1.469 10 0 CDAERP CC(C)=CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001700289242 1176834980 /nfs/dbraw/zinc/83/49/80/1176834980.db2.gz DQMXFNRKXHBPNM-OAHLLOKOSA-N 2 0 293.455 1.875 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCC[NH2+]C(C)C)CC[N@@H+]1C ZINC001700662753 1177064430 /nfs/dbraw/zinc/06/44/30/1177064430.db2.gz WTYUEKYPPVFCMZ-QLFBSQMISA-N 2 0 283.460 2.000 10 0 CDAERP C[N@H+](CCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)CC1CC1 ZINC001707385096 1178008694 /nfs/dbraw/zinc/00/86/94/1178008694.db2.gz HIXCWIYEODIVMY-CVEARBPZSA-N 2 0 293.455 1.851 10 0 CDAERP C[N@H+](CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)CC1CC1 ZINC001707385100 1178010321 /nfs/dbraw/zinc/01/03/21/1178010321.db2.gz HIXCWIYEODIVMY-HOTGVXAUSA-N 2 0 293.455 1.851 10 0 CDAERP CCCC[N@H+](C)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001707401915 1178018578 /nfs/dbraw/zinc/01/85/78/1178018578.db2.gz AOHVRPRCRHZRIM-UHFFFAOYSA-N 2 0 269.433 1.566 10 0 CDAERP [NH3+][C@H]1CCCC[C@H]1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159842232 1178250348 /nfs/dbraw/zinc/25/03/48/1178250348.db2.gz MTYMGSPNRJEELH-CABCVRRESA-N 2 0 279.428 1.495 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]([NH2+]CCCF)C2CC2)C1 ZINC001713123037 1178381646 /nfs/dbraw/zinc/38/16/46/1178381646.db2.gz MDWLUZIBPYAUDD-OCCSQVGLSA-N 2 0 285.407 1.172 10 0 CDAERP CCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]C)CC1 ZINC000236759924 1178407707 /nfs/dbraw/zinc/40/77/07/1178407707.db2.gz BBQWMSGTSLTTHO-CQSZACIVSA-N 2 0 267.417 1.461 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001713359917 1178518145 /nfs/dbraw/zinc/51/81/45/1178518145.db2.gz XIRNYZAJBJAOHC-AWEZNQCLSA-N 2 0 269.433 1.566 10 0 CDAERP CCCC[NH2+]C[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001713360415 1178520571 /nfs/dbraw/zinc/52/05/71/1178520571.db2.gz IJZBSNKKFVNPQE-HUUCEWRRSA-N 2 0 281.444 1.566 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH+](C)CC1CC1 ZINC001713476825 1178593366 /nfs/dbraw/zinc/59/33/66/1178593366.db2.gz RAPGHWGLLFEZAR-BETUJISGSA-N 2 0 267.417 1.317 10 0 CDAERP CCCC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001713520236 1178620969 /nfs/dbraw/zinc/62/09/69/1178620969.db2.gz QJKRHBUQHFTQKM-CQSZACIVSA-N 2 0 269.433 1.707 10 0 CDAERP CCCCC[NH+]1CC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001713922113 1178847207 /nfs/dbraw/zinc/84/72/07/1178847207.db2.gz COGYNMZVEKWRDM-AWEZNQCLSA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C[NH2+]CCF)C1 ZINC001714094118 1178970045 /nfs/dbraw/zinc/97/00/45/1178970045.db2.gz WROIAYMQOJMXAS-ZDUSSCGKSA-N 2 0 273.396 1.124 10 0 CDAERP CC[C@H](C)C[NH2+][C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001714269688 1179056199 /nfs/dbraw/zinc/05/61/99/1179056199.db2.gz HQZYXNYQIKVYSW-STQMWFEESA-N 2 0 269.433 1.469 10 0 CDAERP CC/C=C\CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001714450053 1179145034 /nfs/dbraw/zinc/14/50/34/1179145034.db2.gz HRFOMNPUXBEMKN-LUNKNMTDSA-N 2 0 281.444 1.636 10 0 CDAERP CC[N@H+](CCCOC)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001714588827 1179246189 /nfs/dbraw/zinc/24/61/89/1179246189.db2.gz AZRUNYFTOGAKAL-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)CC[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001714623203 1179274365 /nfs/dbraw/zinc/27/43/65/1179274365.db2.gz WFIMSOOLHVCNHW-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001714880484 1179435422 /nfs/dbraw/zinc/43/54/22/1179435422.db2.gz LVDNYCXZCWSTAO-OLZOCXBDSA-N 2 0 255.406 1.317 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C[NH2+]C/C=C/Cl ZINC001715232038 1179589164 /nfs/dbraw/zinc/58/91/64/1179589164.db2.gz OPAVCOKLLWNEIZ-JYNSIYOZSA-N 2 0 299.846 1.423 10 0 CDAERP C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1C[NH2+]CCF ZINC001715399184 1179657610 /nfs/dbraw/zinc/65/76/10/1179657610.db2.gz IBNHWCDUXUDWHE-UKRRQHHQSA-N 2 0 299.434 1.514 10 0 CDAERP CC(C)[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001715468555 1179675157 /nfs/dbraw/zinc/67/51/57/1179675157.db2.gz VIZRSWRUVQJIGX-ZIAGYGMSSA-N 2 0 269.433 1.563 10 0 CDAERP CCCCC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001715723317 1179779050 /nfs/dbraw/zinc/77/90/50/1179779050.db2.gz RGVXKWZCDFGMFG-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP CCN(CC[NH2+]CC1CC1)C(=O)C1CC[NH+](C)CC1 ZINC001715754591 1179792175 /nfs/dbraw/zinc/79/21/75/1179792175.db2.gz GBQZYKPVLQNHQI-UHFFFAOYSA-N 2 0 267.417 1.176 10 0 CDAERP Cc1cc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)on1 ZINC001716125617 1180059713 /nfs/dbraw/zinc/05/97/13/1180059713.db2.gz CYFLXKGGYOKNRX-RISCZKNCSA-N 2 0 294.399 1.062 10 0 CDAERP CC(C)CCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CN(C)CCO1 ZINC001716128876 1180060462 /nfs/dbraw/zinc/06/04/62/1180060462.db2.gz RKCWGFZESDYIMX-HUUCEWRRSA-N 2 0 299.459 1.238 10 0 CDAERP C[C@H](CC[NH2+]CC1CC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001716168494 1180080212 /nfs/dbraw/zinc/08/02/12/1180080212.db2.gz GZAXLBFERNVYDW-GFCCVEGCSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)C[NH2+]CC[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001716187929 1180089654 /nfs/dbraw/zinc/08/96/54/1180089654.db2.gz UAYUHMKAKGTKBP-ZIAGYGMSSA-N 2 0 269.433 1.469 10 0 CDAERP CC[NH2+]CCN(CC)C(=O)C12CCC[NH+]1CCC2 ZINC001716227547 1180110682 /nfs/dbraw/zinc/11/06/82/1180110682.db2.gz XLUKWJZZGAURQC-UHFFFAOYSA-N 2 0 253.390 1.073 10 0 CDAERP CCN(CC[NH2+]C[C@H](C)OC)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001716235111 1180114316 /nfs/dbraw/zinc/11/43/16/1180114316.db2.gz AKEHVFWUVAPTGD-KKUMJFAQSA-N 2 0 299.459 1.190 10 0 CDAERP O=C(C[NH+]1CCCC1)NC/C=C\C[NH2+]Cc1ccns1 ZINC001716375103 1180172529 /nfs/dbraw/zinc/17/25/29/1180172529.db2.gz DAIWHPVIXXJTKY-UPHRSURJSA-N 2 0 294.424 1.001 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CC1CCC1 ZINC001716377838 1180174392 /nfs/dbraw/zinc/17/43/92/1180174392.db2.gz AZOBXWQUEXSDTN-APHBUQMISA-N 2 0 293.455 1.923 10 0 CDAERP C[C@@H](C[NH2+]CCc1cccs1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001716432075 1180205276 /nfs/dbraw/zinc/20/52/76/1180205276.db2.gz OPEJMVJAECGWTO-JSGCOSHPSA-N 2 0 295.452 1.479 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H](CC[NH2+]CC3CC3)C2)C1 ZINC001717106455 1180532729 /nfs/dbraw/zinc/53/27/29/1180532729.db2.gz PBOSNMSEAUWUMZ-JKSUJKDBSA-N 2 0 293.455 1.566 10 0 CDAERP CC(C)=CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001717477004 1180695776 /nfs/dbraw/zinc/69/57/76/1180695776.db2.gz VVEFZJFHYQXVLJ-GJZGRUSLSA-N 2 0 283.460 1.975 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CCOCC)C(C)(C)C1 ZINC001717904798 1180920877 /nfs/dbraw/zinc/92/08/77/1180920877.db2.gz DURAMDBCFSMFGQ-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[NH2+]CCCN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001723173728 1181523450 /nfs/dbraw/zinc/52/34/50/1181523450.db2.gz PCPVABGFQZLXQG-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CCCC[NH2+]CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001723195038 1181526052 /nfs/dbraw/zinc/52/60/52/1181526052.db2.gz WIIYXNVMFVZQIL-UHFFFAOYSA-N 2 0 255.406 1.320 10 0 CDAERP CCC[N@@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001723741070 1181598560 /nfs/dbraw/zinc/59/85/60/1181598560.db2.gz IDBYWGMSQPAQDW-OAHLLOKOSA-N 2 0 267.417 1.273 10 0 CDAERP CC(C)OCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001724543907 1181692523 /nfs/dbraw/zinc/69/25/23/1181692523.db2.gz HRYKRHWFLHKQFC-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C ZINC001724650229 1181714374 /nfs/dbraw/zinc/71/43/74/1181714374.db2.gz BBDLGFBGLVDYEV-QWHCGFSZSA-N 2 0 253.390 1.023 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CCF)CN1C(=O)CCCC[NH+]1CCCC1 ZINC001725583805 1182060662 /nfs/dbraw/zinc/06/06/62/1182060662.db2.gz DYKFIRIPZHBOMX-HUUCEWRRSA-N 2 0 299.434 1.801 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CCOC)C(C)(C)C1 ZINC001725675727 1182094693 /nfs/dbraw/zinc/09/46/93/1182094693.db2.gz JGWBMPQKYDOCBW-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP COCC[NH2+]C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001725754066 1182121897 /nfs/dbraw/zinc/12/18/97/1182121897.db2.gz ZAVAFLCQULAOBQ-KBPBESRZSA-N 2 0 299.459 1.095 10 0 CDAERP CCCC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001731683589 1182517333 /nfs/dbraw/zinc/51/73/33/1182517333.db2.gz BPJBFCAGCNQRIB-CQSZACIVSA-N 2 0 269.433 1.565 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CC1CC1 ZINC001731744299 1182546064 /nfs/dbraw/zinc/54/60/64/1182546064.db2.gz GXQGWLXDZFCUIY-HZPDHXFCSA-N 2 0 293.455 1.851 10 0 CDAERP O=C(Cc1c[nH]cn1)NCCC[C@H]1CCC[N@@H+]1CC1CC1 ZINC001731755681 1182551092 /nfs/dbraw/zinc/55/10/92/1182551092.db2.gz APBIFMWBUGITRS-HNNXBMFYSA-N 2 0 290.411 1.723 10 0 CDAERP CC[C@@H](C(=O)N(C)[C@H]1CC[N@H+](CC)C1)[NH+](CC)CC ZINC001732172125 1182827858 /nfs/dbraw/zinc/82/78/58/1182827858.db2.gz IAABEUVCSDNDPE-KBPBESRZSA-N 2 0 269.433 1.659 10 0 CDAERP CCC[NH2+]C[C@@H](CC(C)C)NC(=O)C1CC[NH+](C)CC1 ZINC001732472344 1182982038 /nfs/dbraw/zinc/98/20/38/1182982038.db2.gz ZLMDZDMPRYNQRN-OAHLLOKOSA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@@H](C)CC[NH2+]C/C=C\Cl)[NH+](C)C ZINC001732699775 1183091946 /nfs/dbraw/zinc/09/19/46/1183091946.db2.gz AHEWNYOSXMDASK-BZGOVLQXSA-N 2 0 289.851 1.810 10 0 CDAERP CC[C@@H](F)C[NH2+]CC[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001732702930 1183092883 /nfs/dbraw/zinc/09/28/83/1183092883.db2.gz QZWOMLQPSQTOMH-CHWSQXEVSA-N 2 0 287.423 1.703 10 0 CDAERP CC[NH2+]CC[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001732754932 1183109881 /nfs/dbraw/zinc/10/98/81/1183109881.db2.gz PUAUMJDTTPQKKQ-KBPBESRZSA-N 2 0 269.433 1.611 10 0 CDAERP CCCC[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001733553694 1183464624 /nfs/dbraw/zinc/46/46/24/1183464624.db2.gz REXJPUWBXYNGFM-CABCVRRESA-N 2 0 295.471 1.812 10 0 CDAERP CC(C)C[NH2+][C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001733855594 1183551792 /nfs/dbraw/zinc/55/17/92/1183551792.db2.gz ALTFMLHWPPLSJD-GJZGRUSLSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@@H]([NH2+]CCCF)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001734005810 1183611888 /nfs/dbraw/zinc/61/18/88/1183611888.db2.gz VYXDIQOMVUIEFK-KGLIPLIRSA-N 2 0 287.423 1.705 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]C/C=C\Cl)C1 ZINC001734218515 1183695612 /nfs/dbraw/zinc/69/56/12/1183695612.db2.gz LRHYGUZOGYGELI-INJBESJKSA-N 2 0 287.835 1.565 10 0 CDAERP CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001734488576 1183797530 /nfs/dbraw/zinc/79/75/30/1183797530.db2.gz VMCHLXSPZOVOCA-GJZGRUSLSA-N 2 0 281.444 1.757 10 0 CDAERP CCN(C(=O)N[C@@H](C)CC[NH+](CC)CC)[C@H]1CC[N@H+](C)C1 ZINC001772444909 1187234166 /nfs/dbraw/zinc/23/41/66/1187234166.db2.gz BNEFPXGWTGIATA-GJZGRUSLSA-N 2 0 298.475 1.842 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCO[C@H]2CCOC2)CC1(C)C ZINC000922933727 711855836 /nfs/dbraw/zinc/85/58/36/711855836.db2.gz FNMWIGBLUQPZID-STQMWFEESA-N 2 0 256.390 1.254 10 0 CDAERP C[NH+](C)CC1(O)CC[NH+](C[C@@H]2CC(C)(C)CO2)CC1 ZINC000710562769 711863096 /nfs/dbraw/zinc/86/30/96/711863096.db2.gz QGPLKEZQWNCAQO-ZDUSSCGKSA-N 2 0 270.417 1.190 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@]1(C(F)(F)F)CCCN1 ZINC000925858624 711864009 /nfs/dbraw/zinc/86/40/09/711864009.db2.gz VKDAPKCQXBGBJE-GHMZBOCLSA-N 2 0 283.338 1.014 10 0 CDAERP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000924962795 711874186 /nfs/dbraw/zinc/87/41/86/711874186.db2.gz CAIOHCQTANHGLX-JYJNAYRXSA-N 2 0 283.460 1.273 10 0 CDAERP C[NH+](C)C1(C(=O)NC2CCC(C)([NH+](C)C)CC2)CCC1 ZINC000871361008 711883285 /nfs/dbraw/zinc/88/32/85/711883285.db2.gz BLOHVALKWDFDAY-UHFFFAOYSA-N 2 0 281.444 1.850 10 0 CDAERP Cc1nn(C)c(Cl)c1C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723888839 711905852 /nfs/dbraw/zinc/90/58/52/711905852.db2.gz RJQKBMNZDAJLNZ-MWLCHTKSSA-N 2 0 270.808 1.799 10 0 CDAERP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC1CC[NH+](C)CC1 ZINC000713043348 711906898 /nfs/dbraw/zinc/90/68/98/711906898.db2.gz LKKCLKUGCGLCAX-GFCCVEGCSA-N 2 0 255.406 1.206 10 0 CDAERP C[NH+]1CCC2(CCC[N@H+](C[C@H](O)C(F)(F)F)C2)CC1 ZINC000799176758 711914125 /nfs/dbraw/zinc/91/41/25/711914125.db2.gz BYLQUQIXUHYUSN-NSHDSACASA-N 2 0 280.334 1.717 10 0 CDAERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@@H](O)C2CC2)C1 ZINC000838861886 711922988 /nfs/dbraw/zinc/92/29/88/711922988.db2.gz AHKLKIPJPJHSBW-HUUCEWRRSA-N 2 0 270.417 1.190 10 0 CDAERP CCO[C@@H](CN[C@@H](CC)[C@@H]1CCC[NH2+]1)C[NH+](C)C ZINC000925836439 711931141 /nfs/dbraw/zinc/93/11/41/711931141.db2.gz KVDNLNXUGBSFAR-IHRRRGAJSA-N 2 0 257.422 1.073 10 0 CDAERP c1csc([C@@H]2CC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)n1 ZINC000710439824 711952322 /nfs/dbraw/zinc/95/23/22/711952322.db2.gz GKVAZNWZBSYRCG-NWDGAFQWSA-N 2 0 251.399 1.932 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000713008248 711958509 /nfs/dbraw/zinc/95/85/09/711958509.db2.gz JMANGYHCRPDJMJ-KGLIPLIRSA-N 2 0 283.460 1.987 10 0 CDAERP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158236 711969876 /nfs/dbraw/zinc/96/98/76/711969876.db2.gz UGNWDKRQCBFEKU-PVAVHDDUSA-N 3 0 297.487 1.576 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@H](O)c2ccc(F)cc2F)C1 ZINC000848676335 711982892 /nfs/dbraw/zinc/98/28/92/711982892.db2.gz KYUDNAZPWPHNOG-NVBFEUDRSA-N 2 0 284.350 1.928 10 0 CDAERP COC[C@@](C)(CC(=O)OC)[NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923377788 712028895 /nfs/dbraw/zinc/02/88/95/712028895.db2.gz XNHBGSNPQZVUDB-NQKGRLOXSA-N 2 0 298.427 1.465 10 0 CDAERP CC[C@H]1CCN(C(=[NH2+])NC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000864457238 712056900 /nfs/dbraw/zinc/05/69/00/712056900.db2.gz BUGSWKJIXPWVAN-STQMWFEESA-N 2 0 252.406 1.584 10 0 CDAERP COCC[N@@H+](Cc1cccs1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923303141 712073148 /nfs/dbraw/zinc/07/31/48/712073148.db2.gz ZMHFYWHGJWYFNA-ZDUSSCGKSA-N 2 0 296.436 1.575 10 0 CDAERP Cc1nnsc1C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923442397 712085422 /nfs/dbraw/zinc/08/54/22/712085422.db2.gz CBEVCVUYHQPRAZ-NSHDSACASA-N 2 0 282.413 1.176 10 0 CDAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)[C@H](C)C1 ZINC000925876269 712086472 /nfs/dbraw/zinc/08/64/72/712086472.db2.gz SDLQAJBJCMJQNZ-WCXIOVBPSA-N 3 0 297.487 1.840 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CC[C@H]([NH3+])CC2)CC[N@@H+]1C ZINC000870892720 712111589 /nfs/dbraw/zinc/11/15/89/712111589.db2.gz KCNAMUJXMNEMBR-SYQHCUMBSA-N 2 0 267.417 1.445 10 0 CDAERP C[N@@H+]1C[C@@H]2C[NH+](CC3(O)CCCCC3)C[C@]2(C)C1 ZINC000702317772 712117954 /nfs/dbraw/zinc/11/79/54/712117954.db2.gz SMORTQTYRJMJAV-KGLIPLIRSA-N 2 0 252.402 1.565 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)C[C@H]([NH3+])C2CC2)cc1 ZINC000841848850 712129172 /nfs/dbraw/zinc/12/91/72/712129172.db2.gz YCUYCHANQFZFKM-YGRLFVJLSA-N 2 0 261.369 1.450 10 0 CDAERP [NH3+]CCCCCC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000846228244 712144675 /nfs/dbraw/zinc/14/46/75/712144675.db2.gz KZHTVGWVLGTATC-BZUAXINKSA-N 3 0 283.460 1.866 10 0 CDAERP CC[NH+]1CCC(CNC(=[NH2+])NC[C@@H]2CCCO2)CC1 ZINC000848996198 712151959 /nfs/dbraw/zinc/15/19/59/712151959.db2.gz MSPKWHUSSUWAKQ-ZDUSSCGKSA-N 2 0 268.405 1.011 10 0 CDAERP CC1CC[NH+](CCC[NH2+]Cc2cc[nH]c(=O)c2)CC1 ZINC000921502318 712164335 /nfs/dbraw/zinc/16/43/35/712164335.db2.gz TWWMRDVJULMCHP-UHFFFAOYSA-N 2 0 263.385 1.999 10 0 CDAERP CO[C@@H]1CCC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000718382430 712175092 /nfs/dbraw/zinc/17/50/92/712175092.db2.gz NBMRMUQGZFZRBW-HRCADAONSA-N 2 0 284.444 1.771 10 0 CDAERP CC1=C(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCC1 ZINC000870020229 712189904 /nfs/dbraw/zinc/18/99/04/712189904.db2.gz IQQUJWIHFXJABE-HUUCEWRRSA-N 2 0 293.455 1.685 10 0 CDAERP CC1(C)[C@H](N[C@@H]2CC[N@H+](CC3CC3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925555879 712208918 /nfs/dbraw/zinc/20/89/18/712208918.db2.gz IGOSDCWNWLYGLS-LVQVYYBASA-N 2 0 277.456 1.837 10 0 CDAERP CC(C)[C@@H]1CCC[C@@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925816580 712212700 /nfs/dbraw/zinc/21/27/00/712212700.db2.gz ZLGJGJUDQRFFMC-GJZGRUSLSA-N 2 0 253.434 1.824 10 0 CDAERP [NH3+]C1(C[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)CCOCC1 ZINC000925719540 712224971 /nfs/dbraw/zinc/22/49/71/712224971.db2.gz OUHNJKKPZMEJAU-MELADBBJSA-N 2 0 268.401 1.289 10 0 CDAERP C[N@H+](CCOCc1ccccc1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923317995 712232039 /nfs/dbraw/zinc/23/20/39/712232039.db2.gz HVDWYPVZOKSALX-INIZCTEOSA-N 2 0 290.407 1.514 10 0 CDAERP CCCCOC[C@@H](O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000227910653 712241212 /nfs/dbraw/zinc/24/12/12/712241212.db2.gz MTHSVRYWJJRZBH-AWEZNQCLSA-N 2 0 258.406 1.225 10 0 CDAERP C[C@@H](C(=O)NCc1cccs1)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923500132 712259219 /nfs/dbraw/zinc/25/92/19/712259219.db2.gz OFDKENIWDLZDDO-AGIUHOORSA-N 2 0 295.452 1.670 10 0 CDAERP C[C@H]([NH2+]CCOC(F)(F)C(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000720249694 712260873 /nfs/dbraw/zinc/26/08/73/712260873.db2.gz MUJDMRDDMUXURL-JGVFFNPUSA-N 2 0 276.249 1.746 10 0 CDAERP C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705259 712264102 /nfs/dbraw/zinc/26/41/02/712264102.db2.gz WEVORHMFUWEJFY-NHYWBVRUSA-N 2 0 267.417 1.350 10 0 CDAERP c1cc(CC[NH2+]C2CCN(C3CC3)CC2)sn1 ZINC000709914327 712266995 /nfs/dbraw/zinc/26/69/95/712266995.db2.gz BFGYMEDAPPNDBT-UHFFFAOYSA-N 2 0 251.399 1.902 10 0 CDAERP C([C@@H]1C[C@H]2COC[C@H]2O1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000724587574 712278298 /nfs/dbraw/zinc/27/82/98/712278298.db2.gz VOVDEUKPGABMNO-OLMNGRFOSA-N 2 0 280.412 1.254 10 0 CDAERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262056533 712285724 /nfs/dbraw/zinc/28/57/24/712285724.db2.gz QSXORCCFYJOJCL-HZPDHXFCSA-N 3 0 283.460 1.419 10 0 CDAERP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)C(C)(C)CO ZINC000924656930 712293249 /nfs/dbraw/zinc/29/32/49/712293249.db2.gz DOVKWAVCAPBTFG-AWEZNQCLSA-N 2 0 271.449 1.011 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CCN(C)C(C)(C)CC2)CC[NH2+]1 ZINC000712648546 712296810 /nfs/dbraw/zinc/29/68/10/712296810.db2.gz NTDCNLHMWVELRN-ZIAGYGMSSA-N 2 0 253.434 1.791 10 0 CDAERP C[C@@H](CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[NH+]1CCCCC1 ZINC000847293791 712316570 /nfs/dbraw/zinc/31/65/70/712316570.db2.gz HZLNQGBUNBRRAK-SOUVJXGZSA-N 2 0 296.459 1.500 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000713051632 712324141 /nfs/dbraw/zinc/32/41/41/712324141.db2.gz OJRDBABNHNWEAF-MJBXVCDLSA-N 2 0 281.444 1.691 10 0 CDAERP CC(C)NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923396460 712335113 /nfs/dbraw/zinc/33/51/13/712335113.db2.gz ZNKYNIHCKLLCEK-CYBMUJFWSA-N 2 0 267.417 1.365 10 0 CDAERP C[NH2+]C[C@H](C)NC(=O)C[C@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000852920440 712340526 /nfs/dbraw/zinc/34/05/26/712340526.db2.gz BOKFBHNWZBDAKN-ONGXEEELSA-N 2 0 284.791 1.157 10 0 CDAERP CC[N@H+](C)C[C@@H]1CCN(C[C@@H]2[C@@H](C(=O)OC)C2(F)F)C1 ZINC000787771110 712346267 /nfs/dbraw/zinc/34/62/67/712346267.db2.gz LGNGMQYWPQXRPQ-TUAOUCFPSA-N 2 0 290.354 1.314 10 0 CDAERP Cc1cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)co1 ZINC000870019787 712352159 /nfs/dbraw/zinc/35/21/59/712352159.db2.gz PYEJJZOQUUBVRJ-HUUCEWRRSA-N 2 0 293.411 1.399 10 0 CDAERP O[C@H](C[NH2+]CC[C@@H]1CC[C@H]2C[C@H]21)C[NH+]1CCCC1 ZINC000717142016 712366422 /nfs/dbraw/zinc/36/64/22/712366422.db2.gz YOVPSQYZZPRCSL-XQLPTFJDSA-N 2 0 252.402 1.469 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+][C@H]2CCCc3cn[nH]c32)CC1 ZINC000857846546 712403414 /nfs/dbraw/zinc/40/34/14/712403414.db2.gz CSRBKTNEONRYIY-HNNXBMFYSA-N 2 0 291.443 1.404 10 0 CDAERP C([NH2+][C@H]1CCCSC1)[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290741 712412991 /nfs/dbraw/zinc/41/29/91/712412991.db2.gz GVGHXYTZFJWDLD-STQMWFEESA-N 2 0 270.442 1.630 10 0 CDAERP Cc1nc(C)c(C[N@@H+](C)CCCN(C)CC[NH+](C)C)[nH]1 ZINC000930501410 712416019 /nfs/dbraw/zinc/41/60/19/712416019.db2.gz AZIIQDHJGDBEAF-UHFFFAOYSA-N 2 0 281.448 1.342 10 0 CDAERP CC(C)c1cc([C@@H]2CCC[N@H+](CCOCC[NH3+])C2)[nH]n1 ZINC000872146847 712433249 /nfs/dbraw/zinc/43/32/49/712433249.db2.gz ZBBABJSTIQXEEH-CYBMUJFWSA-N 2 0 280.416 1.688 10 0 CDAERP C[N@H+](CCOCC[NH3+])C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000721476613 712441086 /nfs/dbraw/zinc/44/10/86/712441086.db2.gz DQPDPTVUVJKHHD-ZJUUUORDSA-N 2 0 270.295 1.003 10 0 CDAERP CCO[C@H](CN[C@@H]1CCCC[C@H]1C[NH3+])C[NH+](C)C ZINC000925842110 712447913 /nfs/dbraw/zinc/44/79/13/712447913.db2.gz WIIQJSOEZPMHMF-BFHYXJOUSA-N 2 0 257.422 1.060 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@@H]2CCCC23CCOCC3)CC1 ZINC000925817414 712471094 /nfs/dbraw/zinc/47/10/94/712471094.db2.gz RNVUDWKWPJSLCO-OAHLLOKOSA-N 2 0 281.444 1.348 10 0 CDAERP C[C@@H](Cc1cnccn1)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858115062 712497774 /nfs/dbraw/zinc/49/77/74/712497774.db2.gz BITOHUYRMOZJHF-STQMWFEESA-N 2 0 262.401 1.870 10 0 CDAERP C[C@H](C[C@@H]1COCCN1)[NH2+][C@H]1CCCc2cccnc21 ZINC000925872531 712510338 /nfs/dbraw/zinc/51/03/38/712510338.db2.gz VXNMUMLDIJHVTG-YUELXQCFSA-N 2 0 275.396 1.816 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000852870998 712709147 /nfs/dbraw/zinc/70/91/47/712709147.db2.gz JLDIKILKJCQKPN-KGLIPLIRSA-N 2 0 279.428 1.650 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC000721566406 712714460 /nfs/dbraw/zinc/71/44/60/712714460.db2.gz GDDJGLWSEOLRTJ-ZIAGYGMSSA-N 2 0 284.444 1.626 10 0 CDAERP C[C@@]1(c2cccc(F)c2)CC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923386369 712725805 /nfs/dbraw/zinc/72/58/05/712725805.db2.gz AYFDPXIJLKJJOY-YHUYYLMFSA-N 2 0 278.371 1.640 10 0 CDAERP CCC[NH+]1CCC(CNC(=[NH2+])N[C@@H]2C[C@H]2C)CC1 ZINC000864457912 712751336 /nfs/dbraw/zinc/75/13/36/712751336.db2.gz VRYKKEFEQXJULR-DGCLKSJQSA-N 2 0 252.406 1.631 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)C(C)(C)CO)CC1 ZINC000924666801 712757296 /nfs/dbraw/zinc/75/72/96/712757296.db2.gz DPRRRZUZTPBOQF-ZIAGYGMSSA-N 2 0 271.449 1.009 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1cc(C2CC2)n(C)n1 ZINC000925872986 712776282 /nfs/dbraw/zinc/77/62/82/712776282.db2.gz CKWKVVLNRLXIOI-LBPRGKRZSA-N 2 0 266.389 1.141 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000868379999 1164940233 /nfs/dbraw/zinc/94/02/33/1164940233.db2.gz HUUVCNFAEUGZAB-LSDHHAIUSA-N 2 0 296.459 1.454 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000870875453 1165226230 /nfs/dbraw/zinc/22/62/30/1165226230.db2.gz OQXMJLLBKJYSMO-FQLMCAECSA-N 2 0 279.428 1.350 10 0 CDAERP [NH3+][C@@H](CNC(=O)CCC12CC(C1)C[NH2+]2)c1ccccc1 ZINC000870935174 1165236112 /nfs/dbraw/zinc/23/61/12/1165236112.db2.gz LQIYNTGNZJDCLI-UGWHAMFMSA-N 2 0 273.380 1.335 10 0 CDAERP CC1(C)CO[C@@H](C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000872142643 1165383624 /nfs/dbraw/zinc/38/36/24/1165383624.db2.gz AADNAFGJEJPHGN-UONOGXRCSA-N 2 0 297.443 1.121 10 0 CDAERP C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001640222577 1167005708 /nfs/dbraw/zinc/00/57/08/1167005708.db2.gz NEJTUXSTGLFDIX-RWMBFGLXSA-N 2 0 255.406 1.173 10 0 CDAERP CCCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001568612614 1167539731 /nfs/dbraw/zinc/53/97/31/1167539731.db2.gz PGUCDXZUJIVXRQ-OLZOCXBDSA-N 2 0 255.406 1.365 10 0 CDAERP CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CC[N@H+](C)CC ZINC001565942189 1168203450 /nfs/dbraw/zinc/20/34/50/1168203450.db2.gz WDXOCSTZTGJQTE-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP CO[C@@H](C)C[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001566484608 1168303952 /nfs/dbraw/zinc/30/39/52/1168303952.db2.gz PZBQETGUFWAKBO-KKUMJFAQSA-N 2 0 299.459 1.190 10 0 CDAERP COCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001566536108 1168323516 /nfs/dbraw/zinc/32/35/16/1168323516.db2.gz ZYLCPGVHJTXAKA-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CC/C=C\CC[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001566850687 1168443114 /nfs/dbraw/zinc/44/31/14/1168443114.db2.gz NOLRUCPEOWFMSR-YOQOKRQFSA-N 2 0 267.417 1.531 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001567048290 1168531321 /nfs/dbraw/zinc/53/13/21/1168531321.db2.gz SJTRHHVUOHYYPK-CYBMUJFWSA-N 2 0 267.417 1.389 10 0 CDAERP CN(CC[NH2+]C[C@@H]1CCCCO1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001266744958 895955244 /nfs/dbraw/zinc/95/52/44/895955244.db2.gz YVRVAEABGNSYMD-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP O=C(Cc1ncc[nH]1)N1CCC[C@@H](C[NH2+]C/C=C/Cl)C1 ZINC001266814050 896105431 /nfs/dbraw/zinc/10/54/31/896105431.db2.gz IOKFCKHTLSHAMM-KMOQFTEPSA-N 2 0 296.802 1.533 10 0 CDAERP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)CC[NH2+]1 ZINC000723655170 896110654 /nfs/dbraw/zinc/11/06/54/896110654.db2.gz KLFDGEIRYKPSOD-UXXRCYHCSA-N 2 0 252.402 1.922 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+]CC[C@H]1CCCCO1 ZINC001267117154 896838084 /nfs/dbraw/zinc/83/80/84/896838084.db2.gz NTMRIJQYRCAOCZ-OAHLLOKOSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000693594534 896850911 /nfs/dbraw/zinc/85/09/11/896850911.db2.gz BQPOJGPGGYHTSC-OIISXLGYSA-N 2 0 273.424 1.930 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001267131337 896886134 /nfs/dbraw/zinc/88/61/34/896886134.db2.gz DZWQGWFDHMOXBX-AWEZNQCLSA-N 2 0 281.444 1.921 10 0 CDAERP CC(C)[C@](C)(O)C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693665948 897148926 /nfs/dbraw/zinc/14/89/26/897148926.db2.gz GYFWMUGZQSHTIA-QVHKTLOISA-N 2 0 254.418 1.760 10 0 CDAERP Cn1ccc(CC[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)n1 ZINC000693697732 897186710 /nfs/dbraw/zinc/18/67/10/897186710.db2.gz RNLCYWRTCIYBAF-HZSPNIEDSA-N 2 0 262.401 1.329 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1CCC1CC1 ZINC001267272911 897436261 /nfs/dbraw/zinc/43/62/61/897436261.db2.gz AXIHRPUNWPIIKV-CQSZACIVSA-N 2 0 267.417 1.319 10 0 CDAERP COCC[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)C(C)C ZINC001267319390 897578984 /nfs/dbraw/zinc/57/89/84/897578984.db2.gz MHFUDLYXOAADDV-UHFFFAOYSA-N 2 0 299.459 1.191 10 0 CDAERP CN(CC[NH2+]CC[C@@H]1CCCO1)C(=O)C1([NH+](C)C)CCC1 ZINC001267384291 897826625 /nfs/dbraw/zinc/82/66/25/897826625.db2.gz PTIGDOABVWSISL-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)CC[NH2+]CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001267457135 897937226 /nfs/dbraw/zinc/93/72/26/897937226.db2.gz SIIGQOJAWLSOMK-UHFFFAOYSA-N 2 0 267.417 1.176 10 0 CDAERP CC[N@H+](CCNC(=O)C12CCC[NH+]1CCC2)CC[C@@H](C)F ZINC001480985979 898431743 /nfs/dbraw/zinc/43/17/43/898431743.db2.gz MRJOSUBDCJUFLA-CQSZACIVSA-N 2 0 299.434 1.801 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+]CCN2CCC([NH3+])CC2)C1(C)C ZINC000300618777 898500827 /nfs/dbraw/zinc/50/08/27/898500827.db2.gz CDEXHWDVSWSSRU-UONOGXRCSA-N 2 0 269.433 1.203 10 0 CDAERP COCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001481044402 898672964 /nfs/dbraw/zinc/67/29/64/898672964.db2.gz OHJZSQCXTCCEBO-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)OCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001267954058 900053697 /nfs/dbraw/zinc/05/36/97/900053697.db2.gz YFXMRSRFFICFDV-HUUCEWRRSA-N 2 0 297.443 1.086 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CC[C@H](C[NH+](C)CCF)C2)CC[N@@H+]1C ZINC001481497635 900925071 /nfs/dbraw/zinc/92/50/71/900925071.db2.gz NYEQJEGKUHIPSU-ZNMIVQPWSA-N 2 0 299.434 1.467 10 0 CDAERP C[C@H](Cc1cnccn1)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925775508 901059355 /nfs/dbraw/zinc/05/93/55/901059355.db2.gz GVSGDRTUUOXPLV-GHMZBOCLSA-N 2 0 270.327 1.242 10 0 CDAERP CCCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001268071411 901099063 /nfs/dbraw/zinc/09/90/63/901099063.db2.gz OMXAUTYGCLOYQL-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001268162241 901457783 /nfs/dbraw/zinc/45/77/83/901457783.db2.gz JSNCFPAXUPHDPZ-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP CCCC[NH2+][C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001268224725 901602853 /nfs/dbraw/zinc/60/28/53/901602853.db2.gz WOFPWUVOECIBDN-LSDHHAIUSA-N 2 0 283.460 1.859 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CCC1CC1 ZINC001481812679 902166751 /nfs/dbraw/zinc/16/67/51/902166751.db2.gz RGKOZICLJLBJCB-JKSUJKDBSA-N 2 0 293.455 1.613 10 0 CDAERP CC(C)[NH2+]C/C=C\CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001268594398 902718346 /nfs/dbraw/zinc/71/83/46/902718346.db2.gz CLACWGUBMJUQIO-IDTUSYRASA-N 2 0 281.444 1.921 10 0 CDAERP CC[NH2+]C[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001268664833 902923677 /nfs/dbraw/zinc/92/36/77/902923677.db2.gz SSIVWDXFNHDUBB-CHWSQXEVSA-N 2 0 255.406 1.365 10 0 CDAERP CC(C)CC[N@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001268744886 903068863 /nfs/dbraw/zinc/06/88/63/903068863.db2.gz DOFDSJHYIUOSJA-CYBMUJFWSA-N 2 0 257.422 1.421 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CCF ZINC001268768968 903107640 /nfs/dbraw/zinc/10/76/40/903107640.db2.gz AGTCWXRTJXZOBK-KGLIPLIRSA-N 2 0 287.423 1.561 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001269166332 903499840 /nfs/dbraw/zinc/49/98/40/903499840.db2.gz VIEWRIHIJXEWAN-VBROQKIQSA-N 2 0 267.417 1.485 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCCF)CC1 ZINC001269442391 903808051 /nfs/dbraw/zinc/80/80/51/903808051.db2.gz DXGAEARRQALJHB-CQSZACIVSA-N 2 0 299.434 1.705 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001482283489 904571741 /nfs/dbraw/zinc/57/17/41/904571741.db2.gz NGKLZRSNMUXFHS-GOEBONIOSA-N 2 0 293.455 1.731 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)[C@H](C)C[NH2+]C/C=C\Cl)[NH+](C)C ZINC001482295255 904705200 /nfs/dbraw/zinc/70/52/00/904705200.db2.gz VYMUDOHIIIOLQO-XRMAHGQMSA-N 2 0 289.851 1.762 10 0 CDAERP C[C@]1(C[NH2+]CCF)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001270726093 904991433 /nfs/dbraw/zinc/99/14/33/904991433.db2.gz AKCZCFHJKKRGCV-GOEBONIOSA-N 2 0 297.418 1.126 10 0 CDAERP CC(C)=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001270841848 905130273 /nfs/dbraw/zinc/13/02/73/905130273.db2.gz VGIBFOJRAVMLNJ-DOTOQJQBSA-N 2 0 293.455 1.733 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001271082963 905624366 /nfs/dbraw/zinc/62/43/66/905624366.db2.gz NNKCEWQRWZERCB-AWEZNQCLSA-N 2 0 281.444 1.731 10 0 CDAERP C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C[NH2+]CCCF ZINC001271661070 906581726 /nfs/dbraw/zinc/58/17/26/906581726.db2.gz WEYJYNCJGFBENZ-UONOGXRCSA-N 2 0 299.434 1.372 10 0 CDAERP CC/C=C/CC[N@H+](C)CCN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001482588225 907486469 /nfs/dbraw/zinc/48/64/69/907486469.db2.gz OYRZVFQUAQLDGZ-LFAOLKIESA-N 2 0 297.443 1.064 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CC2CCC2)C1 ZINC001482661927 908136358 /nfs/dbraw/zinc/13/63/58/908136358.db2.gz HVRTZHACMXPLBN-HOTGVXAUSA-N 2 0 293.455 1.661 10 0 CDAERP CC(C)CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001482834565 908412340 /nfs/dbraw/zinc/41/23/40/908412340.db2.gz VXRAMYGASHGECL-GOEBONIOSA-N 2 0 295.471 1.859 10 0 CDAERP CC[C@H](C)C[NH2+]C/C=C/CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001483059074 909191027 /nfs/dbraw/zinc/19/10/27/909191027.db2.gz NRSKAIGGOQBAAJ-ICWYTKJFSA-N 2 0 281.444 1.636 10 0 CDAERP CC[NH2+]C/C=C\CNC(=O)CCC[NH+]1CCCCC1 ZINC001483096752 909334469 /nfs/dbraw/zinc/33/44/69/909334469.db2.gz MZOXIDMYDOGHRB-PLNGDYQASA-N 2 0 267.417 1.534 10 0 CDAERP CCN1CC[C@@H]1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000712595821 909569110 /nfs/dbraw/zinc/56/91/10/909569110.db2.gz AUJVELUWWKFSOR-MRXNPFEDSA-N 2 0 274.412 1.734 10 0 CDAERP C[N@@H+]1CCN(C(=O)[C@H]2CCCC[NH2+]2)CCC1(C)C ZINC000712671999 909575559 /nfs/dbraw/zinc/57/55/59/909575559.db2.gz FDHYPZJPWJSZBS-GFCCVEGCSA-N 2 0 253.390 1.071 10 0 CDAERP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@@H]1CCC3(CCC3)O1)C2 ZINC000712524048 909583881 /nfs/dbraw/zinc/58/38/81/909583881.db2.gz QAQOCRQEQSJPQV-XUXIUFHCSA-N 2 0 250.386 1.900 10 0 CDAERP CCC[NH+]1CCC(NC(=O)C(C)(C)[C@H]([NH3+])C(C)C)CC1 ZINC000713007785 909600611 /nfs/dbraw/zinc/60/06/11/909600611.db2.gz HQMATCIFTATRJB-CQSZACIVSA-N 2 0 283.460 1.987 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)N2CCOCC2)C1 ZINC000715270950 909875353 /nfs/dbraw/zinc/87/53/53/909875353.db2.gz OMWPHDZOIOLJFD-HUUCEWRRSA-N 2 0 283.460 1.560 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]C2CCC3(CC2)OCCO3)C12CCC2 ZINC000715589489 910017827 /nfs/dbraw/zinc/01/78/27/910017827.db2.gz QXXHSXBBEMDWPN-CHWSQXEVSA-N 2 0 266.385 1.532 10 0 CDAERP C[C@@H](C[NH2+]CC1CC(F)(F)C1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001483293258 910806422 /nfs/dbraw/zinc/80/64/22/910806422.db2.gz APRJAADUFFKIGW-JQWIXIFHSA-N 2 0 289.370 1.078 10 0 CDAERP COCC[NH2+]C[C@@H]1CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001483957575 915243604 /nfs/dbraw/zinc/24/36/04/915243604.db2.gz AKIBNLGNCXZXKX-HNNXBMFYSA-N 2 0 297.443 1.089 10 0 CDAERP CCC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH]cn2)C[C@H]1C ZINC001484369223 915692335 /nfs/dbraw/zinc/69/23/35/915692335.db2.gz MDHPIBRBRBARTJ-OLZOCXBDSA-N 2 0 278.400 1.436 10 0 CDAERP CC[NH2+]CC1(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CCOCC1 ZINC001484872037 916220884 /nfs/dbraw/zinc/22/08/84/916220884.db2.gz POSWGEPCXPMXHC-KBPBESRZSA-N 2 0 297.443 1.134 10 0 CDAERP CCC[NH2+]CC1(NC(=O)[C@@H]2CCCC[N@@H+]2C)CCOCC1 ZINC001484867953 916226309 /nfs/dbraw/zinc/22/63/09/916226309.db2.gz VAEBNYAYEXVARQ-AWEZNQCLSA-N 2 0 297.443 1.136 10 0 CDAERP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)CC[NH2+]CC1CC1 ZINC000720900181 935266685 /nfs/dbraw/zinc/26/66/85/935266685.db2.gz QGRNTZGIGXDIMI-KBPBESRZSA-N 2 0 265.401 1.071 10 0 CDAERP CC[C@H](C(=O)NC1CC(C[NH2+]CCC(C)C)C1)[NH+](C)C ZINC001485095781 916509047 /nfs/dbraw/zinc/50/90/47/916509047.db2.gz DFGDXVNOVUUUOV-YMAMQOFZSA-N 2 0 283.460 1.857 10 0 CDAERP CC(C)OCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001485158244 916614233 /nfs/dbraw/zinc/61/42/33/916614233.db2.gz YDKLEWJKIWPLGM-UONOGXRCSA-N 2 0 299.459 1.379 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@H]2CCCC[N@@H+]2C)C1 ZINC001649301701 1169180891 /nfs/dbraw/zinc/18/08/91/1169180891.db2.gz ASCWKGLKVMHHRD-MCIONIFRSA-N 2 0 282.432 1.110 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCF)C2)CC[N@@H+]1C ZINC001485693251 917195194 /nfs/dbraw/zinc/19/51/94/917195194.db2.gz WBECZNFPMHRAQA-XUXIUFHCSA-N 2 0 285.407 1.171 10 0 CDAERP CCN1CC[C@@H]1C(=O)N[C@@H](C)CC[NH+](CC)CC ZINC001181654452 917245918 /nfs/dbraw/zinc/24/59/18/917245918.db2.gz QYXOMYXFHVQTJP-QWHCGFSZSA-N 2 0 255.406 1.317 10 0 CDAERP COC(=O)C1(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)CC1 ZINC000829444181 936416109 /nfs/dbraw/zinc/41/61/09/936416109.db2.gz YQUYGNKWGYTDOI-UHFFFAOYSA-N 2 0 280.412 1.747 10 0 CDAERP CCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001272781564 919271629 /nfs/dbraw/zinc/27/16/29/919271629.db2.gz HVNHMLMQZKRXIO-TZMCWYRMSA-N 2 0 267.417 1.223 10 0 CDAERP COC(=O)C1=C(C)O[C@H](C[NH2+]C(C)(C)CN2CCCC2)C1 ZINC000832761875 936599296 /nfs/dbraw/zinc/59/92/96/936599296.db2.gz USARXQXMNGDDHF-ZDUSSCGKSA-N 2 0 296.411 1.686 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH2+]CC1CC1 ZINC001276398899 936613552 /nfs/dbraw/zinc/61/35/52/936613552.db2.gz DZSXYWUNTVBFJV-UHFFFAOYSA-N 2 0 255.406 1.175 10 0 CDAERP CCC[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001485922134 920577828 /nfs/dbraw/zinc/57/78/28/920577828.db2.gz GWKHFQMRDWIRLM-STQMWFEESA-N 2 0 255.406 1.175 10 0 CDAERP CC(C)CCC[NH2+][C@H](C)CN(C)C(=O)Cn1ccnc1 ZINC001485961530 920629413 /nfs/dbraw/zinc/62/94/13/920629413.db2.gz CWKQSWGLYMVDTI-CQSZACIVSA-N 2 0 280.416 1.756 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCCF)[C@H]1C ZINC001486093277 920695389 /nfs/dbraw/zinc/69/53/89/920695389.db2.gz KWQWGOSXDWONPJ-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CC(C)C)C(C)(C)C1 ZINC001486246607 920839088 /nfs/dbraw/zinc/83/90/88/920839088.db2.gz ODRQOIHVXABADI-CQSZACIVSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001486303296 920875452 /nfs/dbraw/zinc/87/54/52/920875452.db2.gz NJXQLBUEOQYSQP-HUUCEWRRSA-N 2 0 299.459 1.067 10 0 CDAERP CC(C)CCC[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001486482504 921060785 /nfs/dbraw/zinc/06/07/85/921060785.db2.gz GODRVWSXMQOIRB-FHERZECASA-N 2 0 295.471 1.953 10 0 CDAERP [NH3+]CCCCCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC000705905393 923018503 /nfs/dbraw/zinc/01/85/03/923018503.db2.gz YBBSNMJYZYCFOE-UHFFFAOYSA-N 2 0 267.417 1.498 10 0 CDAERP CC1(C)CO[C@@H](C[N@@H+]2CCC3(C2)CC[NH2+]CC3)C1 ZINC000708425334 923191554 /nfs/dbraw/zinc/19/15/54/923191554.db2.gz VCCAGZUEVKEMNO-CYBMUJFWSA-N 2 0 252.402 1.877 10 0 CDAERP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCOCC(F)(F)F)C2 ZINC000709861121 923229070 /nfs/dbraw/zinc/22/90/70/923229070.db2.gz MXFKCGLRXRXFBQ-DCAQKATOSA-N 2 0 266.307 1.767 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2C[NH2+]CC2(C)C)C1 ZINC000711355365 923507833 /nfs/dbraw/zinc/50/78/33/923507833.db2.gz DKQRYLJJYYMJGC-UPJWGTAASA-N 2 0 267.417 1.221 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001491041882 936845480 /nfs/dbraw/zinc/84/54/80/936845480.db2.gz IQAPMTPMBKSNCV-MCIONIFRSA-N 2 0 299.434 1.846 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)CCC[NH2+]C2CC2)[C@H](C)C1 ZINC000923324551 923743795 /nfs/dbraw/zinc/74/37/95/923743795.db2.gz HVRMUODKGRYDIO-HIFRSBDPSA-N 2 0 253.434 1.791 10 0 CDAERP C[C@H](CC[NH2+]Cc1ccns1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001273176203 923798351 /nfs/dbraw/zinc/79/83/51/923798351.db2.gz PMOFDEIKWYFNQO-VXGBXAGGSA-N 2 0 296.440 1.079 10 0 CDAERP CC(C)COC[C@H](O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000923415574 923821111 /nfs/dbraw/zinc/82/11/11/923821111.db2.gz USRCQJOFWMYJQZ-RRFJBIMHSA-N 2 0 270.417 1.094 10 0 CDAERP CC/C=C/CC[NH+]1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001494583892 923827986 /nfs/dbraw/zinc/82/79/86/923827986.db2.gz CRJTYTFDIATMRF-AATRIKPKSA-N 2 0 293.455 1.733 10 0 CDAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](C[C@@H]1C[C@@]13CCOC3)CC2 ZINC000923446289 923831294 /nfs/dbraw/zinc/83/12/94/923831294.db2.gz MHLAAEAKVUUHTQ-OFQRWUPVSA-N 2 0 280.412 1.243 10 0 CDAERP COCCCCC[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923449000 923834731 /nfs/dbraw/zinc/83/47/31/923834731.db2.gz JKACNAQHTGSJIF-CQSZACIVSA-N 2 0 270.417 1.633 10 0 CDAERP CCCCNC(=O)CC[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923449376 923841791 /nfs/dbraw/zinc/84/17/91/923841791.db2.gz NLPNIOHBJYTZCA-AWEZNQCLSA-N 2 0 297.443 1.123 10 0 CDAERP CCOC(=O)[C@H](CC)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923451862 923845843 /nfs/dbraw/zinc/84/58/43/923845843.db2.gz QIGYUGRCKKJISW-OLZOCXBDSA-N 2 0 284.400 1.158 10 0 CDAERP C[C@@H]1C[N@H+](C[C@@H](O)CC2CCCC2)CC[C@H]1C[NH3+] ZINC000923490204 923874305 /nfs/dbraw/zinc/87/43/05/923874305.db2.gz BSILAPFNYILNPA-SNPRPXQTSA-N 2 0 254.418 1.844 10 0 CDAERP C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2F)CC[C@@H]1C[NH3+] ZINC000923490256 923874482 /nfs/dbraw/zinc/87/44/82/923874482.db2.gz CDZBFVLIVADHRM-UEKVPHQBSA-N 2 0 284.350 1.915 10 0 CDAERP CCCCCCNC(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923497228 923881534 /nfs/dbraw/zinc/88/15/34/923881534.db2.gz ASOCGTHAHNTMLY-KGLIPLIRSA-N 2 0 269.433 1.600 10 0 CDAERP C[C@H]1C[N@H+](CC(=O)NCc2ccc(F)cc2)CC[C@H]1C[NH3+] ZINC000923502938 923882979 /nfs/dbraw/zinc/88/29/79/923882979.db2.gz FFLNTSBDTCVYHD-JSGCOSHPSA-N 2 0 293.386 1.359 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCC1CCCC1 ZINC001410494234 925824299 /nfs/dbraw/zinc/82/42/99/925824299.db2.gz LRDAAKKNDGDCBY-GOEBONIOSA-N 2 0 295.471 1.955 10 0 CDAERP CCOCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001568429678 1169284758 /nfs/dbraw/zinc/28/47/58/1169284758.db2.gz OEIFOMOQBKAUME-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP CCCC[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001317590163 926613598 /nfs/dbraw/zinc/61/35/98/926613598.db2.gz WJWOELNXRYRBOJ-CHWSQXEVSA-N 2 0 255.406 1.175 10 0 CDAERP CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001488659813 926653453 /nfs/dbraw/zinc/65/34/53/926653453.db2.gz BTUVWLJAOBVEBY-CABCVRRESA-N 2 0 281.444 1.661 10 0 CDAERP [NH3+][C@H]1C[C@H]([NH2+]CCC(=O)N2CCCCC2)C12CCC2 ZINC000405314223 926822194 /nfs/dbraw/zinc/82/21/94/926822194.db2.gz QKCUJAANYKVHIQ-STQMWFEESA-N 2 0 265.401 1.249 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@H]([NH2+]CCC2CC2)C(C)(C)C1 ZINC001410980764 926845625 /nfs/dbraw/zinc/84/56/25/926845625.db2.gz KAYHDRVZFIVGTP-AWEZNQCLSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]CCF)C(C)(C)C1 ZINC001411027046 926902694 /nfs/dbraw/zinc/90/26/94/926902694.db2.gz VCLKHGDMZXQXSM-LBPRGKRZSA-N 2 0 273.396 1.123 10 0 CDAERP COC[C@@H](C)[NH+]1CCC([C@H](C)NC(=O)CC[NH+](C)C)CC1 ZINC001411240584 927292913 /nfs/dbraw/zinc/29/29/13/927292913.db2.gz ZHMJZCHVRKOIGY-KGLIPLIRSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@@H](C(=O)NC[C@H]([NH2+]CCF)C1CC1)[NH+]1CCCCCC1 ZINC001490718323 927298096 /nfs/dbraw/zinc/29/80/96/927298096.db2.gz RNHCEDVQMCWKTB-ZFWWWQNUSA-N 2 0 299.434 1.705 10 0 CDAERP CC(C)[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001490698945 927307873 /nfs/dbraw/zinc/30/78/73/927307873.db2.gz KMESJBJHMXBCPO-AEGPPILISA-N 2 0 281.444 1.610 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](C[NH+](C)CCF)C2)C1 ZINC001490771462 927337458 /nfs/dbraw/zinc/33/74/58/927337458.db2.gz HKZPZQGRHMLBON-HUUCEWRRSA-N 2 0 299.434 1.468 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000852858301 927897879 /nfs/dbraw/zinc/89/78/79/927897879.db2.gz XGEXDHQQUVFWPC-UHFFFAOYSA-N 2 0 291.439 1.773 10 0 CDAERP C[C@@H](CNC(=O)C=C1CC[NH2+]CC1)C[NH+]1CCCC1 ZINC000852860804 927898854 /nfs/dbraw/zinc/89/88/54/927898854.db2.gz VGUCOQZTJPRECB-ZDUSSCGKSA-N 2 0 265.401 1.144 10 0 CDAERP C[C@@H]1CCCN(C(=O)C=C2CC[NH2+]CC2)[C@@H]1CC[NH3+] ZINC000852895944 927909333 /nfs/dbraw/zinc/90/93/33/927909333.db2.gz NPIWPASUTYFYHN-TZMCWYRMSA-N 2 0 265.401 1.272 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)[C@H](C)[NH2+]C1CC1 ZINC000854014510 928142438 /nfs/dbraw/zinc/14/24/38/928142438.db2.gz XYYQXXUFQAXNHU-NSHDSACASA-N 2 0 255.406 1.364 10 0 CDAERP C[C@H](CCCCO)[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693678459 937250363 /nfs/dbraw/zinc/25/03/63/937250363.db2.gz MTQPGFZTFJXLDK-YIYPIFLZSA-N 2 0 254.418 1.904 10 0 CDAERP C[C@H](C[NH2+]Cc1ccnc(F)c1)CN1CC[NH+](C)CC1 ZINC000858125424 928806843 /nfs/dbraw/zinc/80/68/43/928806843.db2.gz DFPFGWSZWUGGQS-CYBMUJFWSA-N 2 0 280.391 1.194 10 0 CDAERP COC(=O)C1=CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000858473848 928869818 /nfs/dbraw/zinc/86/98/18/928869818.db2.gz SYKQTBZGFINPDB-BFHYXJOUSA-N 2 0 264.369 1.465 10 0 CDAERP CON(C)C(=O)CC[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000819186226 930769467 /nfs/dbraw/zinc/76/94/67/930769467.db2.gz WSGPLDVPWKNBCN-UHFFFAOYSA-N 2 0 271.405 1.106 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CCC(C)([NH2+]CCCF)CC2)C1 ZINC001274375635 931494978 /nfs/dbraw/zinc/49/49/78/931494978.db2.gz XPFDOHWTJZFUTK-AWEZNQCLSA-N 2 0 299.434 1.659 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]([NH3+])C2CC2)[C@@H](C)C1 ZINC000844188456 931554634 /nfs/dbraw/zinc/55/46/34/931554634.db2.gz TZZUHDBNIVKSJM-YUTCNCBUSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001274824748 931584874 /nfs/dbraw/zinc/58/48/74/931584874.db2.gz FNMMLTPNIHVKKO-CHWSQXEVSA-N 2 0 285.407 1.457 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](O)c2cccc(F)c2)C12CCC2 ZINC000925484150 931727523 /nfs/dbraw/zinc/72/75/23/931727523.db2.gz CCJCZNZKHWVOKF-BFHYXJOUSA-N 2 0 264.344 1.719 10 0 CDAERP CCN1C[C@@H](C[NH+]2CCC(C[NH+]3CCCC3)CC2)OC1=O ZINC000846774309 932132866 /nfs/dbraw/zinc/13/28/66/932132866.db2.gz RKLHUILPIFOFDC-OAHLLOKOSA-N 2 0 295.427 1.635 10 0 CDAERP COCCN1CCC[C@H]1C[NH2+][C@@H](C)Cc1ccccn1 ZINC000924927187 932833810 /nfs/dbraw/zinc/83/38/10/932833810.db2.gz GWIYARZDMAHJEJ-HOCLYGCPSA-N 2 0 277.412 1.713 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)NC[C@H]1CC[NH+]1C ZINC000925434443 932885856 /nfs/dbraw/zinc/88/58/56/932885856.db2.gz KMPLLIMCNVRQGP-GFCCVEGCSA-N 2 0 270.421 1.110 10 0 CDAERP [NH3+]CCC[C@@H]([NH2+]CCCN1CCOC1=O)c1ccccc1 ZINC000925479756 932891568 /nfs/dbraw/zinc/89/15/68/932891568.db2.gz SFORLFAYHOJNFM-OAHLLOKOSA-N 2 0 291.395 1.899 10 0 CDAERP [NH3+][C@H]1C[C@@H]([NH2+]CCC(=O)NCc2ccccc2)C12CCC2 ZINC000925543713 932903105 /nfs/dbraw/zinc/90/31/05/932903105.db2.gz OCZOEYZBLLRURA-LSDHHAIUSA-N 2 0 287.407 1.552 10 0 CDAERP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000925556825 932904236 /nfs/dbraw/zinc/90/42/36/932904236.db2.gz MOTZLHGTYWMLAR-FITYOTRXSA-N 2 0 296.455 1.625 10 0 CDAERP CC1(C)[C@@H]([NH2+]C2CCC(C(N)=O)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925603800 932913558 /nfs/dbraw/zinc/91/35/58/932913558.db2.gz RQGLZPJZVLXUDO-LSUUEXMVSA-N 2 0 279.428 1.397 10 0 CDAERP COc1ccc([C@H](CCO)[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925615105 932915322 /nfs/dbraw/zinc/91/53/22/932915322.db2.gz LJVLCYUFFSXOQL-XHSDSOJGSA-N 2 0 290.407 1.978 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCOC(C)(C)C1 ZINC000925620551 932916603 /nfs/dbraw/zinc/91/66/03/932916603.db2.gz BOAYEAWJDLYJEZ-WJLOJVBCSA-N 2 0 252.402 1.874 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]CCC[C@@H]2CCOC2=O)C12CCC2 ZINC000925731096 932933554 /nfs/dbraw/zinc/93/35/54/932933554.db2.gz RVKPLHOZNSKZIM-IJLUTSLNSA-N 2 0 252.358 1.189 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925786445 932938634 /nfs/dbraw/zinc/93/86/34/932938634.db2.gz ORTAMPZNUBYYKD-BVUBDWEXSA-N 2 0 265.445 1.600 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC000925827474 932943092 /nfs/dbraw/zinc/94/30/92/932943092.db2.gz UHERFXDETJMQTG-RYUDHWBXSA-N 2 0 256.390 1.024 10 0 CDAERP CC1(C)CC[C@@H]1[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925852419 932946046 /nfs/dbraw/zinc/94/60/46/932946046.db2.gz UNCIHUVTZSOPTE-NEPJUHHUSA-N 2 0 266.385 1.450 10 0 CDAERP C[C@H]([NH2+]CC[C@]1(O)CCOC1)c1cccc(C[NH+](C)C)c1 ZINC000926648506 933008326 /nfs/dbraw/zinc/00/83/26/933008326.db2.gz GROJOUSSCMSOHW-YOEHRIQHSA-N 2 0 292.423 1.940 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1COC2(CCC2)C1 ZINC000926696428 933013342 /nfs/dbraw/zinc/01/33/42/933013342.db2.gz QLYYTHZODFNDJI-WJLOJVBCSA-N 2 0 250.386 1.628 10 0 CDAERP CCO[C@H](CN[C@H]1CC[N@H+](CC)C[C@@H]1C)C[NH+](C)C ZINC000926966885 933035500 /nfs/dbraw/zinc/03/55/00/933035500.db2.gz YLXKIVDIIGGKDH-ZNMIVQPWSA-N 2 0 271.449 1.273 10 0 CDAERP CC(=O)NCCCCC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000930310572 933355676 /nfs/dbraw/zinc/35/56/76/933355676.db2.gz JBKNSJMDVOPBDX-UHFFFAOYSA-N 2 0 269.433 1.711 10 0 CDAERP CC[C@@H](CO)[NH+]1CCCC2(CCC[N@@H+]([C@@H](CC)CO)C2)C1 ZINC000930511783 933390609 /nfs/dbraw/zinc/39/06/09/933390609.db2.gz NGNMQNSOWZTAMH-PYNWJHIZSA-N 2 0 298.471 1.706 10 0 CDAERP CC(C)C[NH2+]C1(CO)CC[NH+]([C@@H](C)C2CC2)CC1 ZINC000930626811 933416503 /nfs/dbraw/zinc/41/65/03/933416503.db2.gz OVUIXAAYRWXZGY-ZDUSSCGKSA-N 2 0 254.418 1.857 10 0 CDAERP c1cc(CCN2CCC([N@@H+]3CCCOCC3)CC2)sn1 ZINC000931284033 933531778 /nfs/dbraw/zinc/53/17/78/933531778.db2.gz MDQWFWORYNTJCC-UHFFFAOYSA-N 2 0 295.452 1.872 10 0 CDAERP COC[C@H](C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1)C(C)C ZINC000931442958 933563481 /nfs/dbraw/zinc/56/34/81/933563481.db2.gz QWAJTUROZIIFEG-ZNMIVQPWSA-N 2 0 254.418 1.789 10 0 CDAERP C[NH+](C)CC1(O)CC[NH+](C[C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000931478921 933571375 /nfs/dbraw/zinc/57/13/75/933571375.db2.gz HMYKRTGIKWMQQG-AWEZNQCLSA-N 2 0 298.471 1.969 10 0 CDAERP CS[C@@H]1CN(C(=O)[C@@H](C)CC[NH+](C)C)C[C@H]1[NH+](C)C ZINC001412783024 934353599 /nfs/dbraw/zinc/35/35/99/934353599.db2.gz MJQRIUPGDQRSCE-YNEHKIRRSA-N 2 0 287.473 1.078 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCCOC)C1 ZINC001490856982 934562519 /nfs/dbraw/zinc/56/25/19/934562519.db2.gz WYXRPTFKIAMLOA-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP C[N@H+](CCCCCC[NH3+])C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000724594300 935777596 /nfs/dbraw/zinc/77/75/96/935777596.db2.gz MTLIGUBETOXQNC-MELADBBJSA-N 2 0 256.390 1.241 10 0 CDAERP COCC[N@@H+]1CCN(C(=O)[C@H](C)CC[NH+](C)C)C(C)(C)C1 ZINC001413222549 935955538 /nfs/dbraw/zinc/95/55/38/935955538.db2.gz IMBDTGHDZFOHSC-CQSZACIVSA-N 2 0 299.459 1.143 10 0 CDAERP CCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001568633742 1169409298 /nfs/dbraw/zinc/40/92/98/1169409298.db2.gz MAHIBSJVOYDXEK-JHJVBQTASA-N 2 0 255.406 1.221 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CCCF)C1CC1 ZINC001276612635 940434301 /nfs/dbraw/zinc/43/43/01/940434301.db2.gz VVPQPNBORIRNKB-KBPBESRZSA-N 2 0 285.407 1.315 10 0 CDAERP CC(C)[NH+]1CCC([NH2+][C@H](C)C2CC[NH2+]CC2)CC1 ZINC000400726523 940854989 /nfs/dbraw/zinc/85/49/89/940854989.db2.gz HUQGJEKPWAFBQY-CYBMUJFWSA-N 3 0 253.434 1.837 10 0 CDAERP C[NH+](C)CCOCC[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000403626172 940930974 /nfs/dbraw/zinc/93/09/74/940930974.db2.gz YPRGOLIPNYRYFK-YHWZYXNKSA-N 2 0 258.431 1.581 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]CCCOC[C@H]2CCCO2)C12CCC2 ZINC000405296549 940980251 /nfs/dbraw/zinc/98/02/51/940980251.db2.gz HAVXXIUXXNVBSO-MGPQQGTHSA-N 2 0 268.401 1.432 10 0 CDAERP CC[N@@H+]1CC[C@H]1C(=O)N(C)CC[NH+](C)C1CCCCC1 ZINC001362027704 970790941 /nfs/dbraw/zinc/79/09/41/970790941.db2.gz CCNDFYBSIZRTDX-HNNXBMFYSA-N 2 0 281.444 1.804 10 0 CDAERP CC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001277046311 941863807 /nfs/dbraw/zinc/86/38/07/941863807.db2.gz NDXBTHNBBAUCCK-JOCQHMNTSA-N 2 0 269.433 1.469 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]C(C)C)CC2)CC[N@@H+]1C ZINC001277059994 941892449 /nfs/dbraw/zinc/89/24/49/941892449.db2.gz DGRLXUWKRQRKRZ-QWHCGFSZSA-N 2 0 267.417 1.364 10 0 CDAERP CO[C@H](C)C[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001473902373 970888997 /nfs/dbraw/zinc/88/89/97/970888997.db2.gz SHHWGDBUGCCJAQ-KFWWJZLASA-N 2 0 252.402 1.829 10 0 CDAERP C[C@@H]1[C@@H]([NH2+]CCOC2CCC2)CCN1C(=O)CC[NH+](C)C ZINC001283897225 943023631 /nfs/dbraw/zinc/02/36/31/943023631.db2.gz CKXGDUGNYVFDOT-HIFRSBDPSA-N 2 0 297.443 1.086 10 0 CDAERP O=C(C[NH+]1CCCC1)NCC1=CC[N@H+](CC2CC2)CC1 ZINC001284986914 943304332 /nfs/dbraw/zinc/30/43/32/943304332.db2.gz VABDMDTZXCYJSR-UHFFFAOYSA-N 2 0 277.412 1.241 10 0 CDAERP CC(C)[N@H+]1CC=C(CNC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001284977307 943305646 /nfs/dbraw/zinc/30/56/46/943305646.db2.gz UFMRKXZCOSTQLK-OAHLLOKOSA-N 2 0 279.428 1.485 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2COC3(CCOCC3)O2)CC1(C)C ZINC001649924773 1169503922 /nfs/dbraw/zinc/50/39/22/1169503922.db2.gz ZJKZBKYQGHATIQ-UONOGXRCSA-N 2 0 298.427 1.371 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001263877887 944018412 /nfs/dbraw/zinc/01/84/12/944018412.db2.gz CNFFJLBGWMGKAU-RBSFLKMASA-N 2 0 283.460 1.857 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001264158821 944090555 /nfs/dbraw/zinc/09/05/55/944090555.db2.gz BHJXJFLTWSFXFO-CNBITHIKSA-N 2 0 281.444 1.873 10 0 CDAERP CCC[N@H+](C)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001265030612 944205662 /nfs/dbraw/zinc/20/56/62/944205662.db2.gz BQEMYQQHBGNWML-UHFFFAOYSA-N 2 0 255.406 1.176 10 0 CDAERP C[N@H+](CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)CC1CC1 ZINC001265046556 944211876 /nfs/dbraw/zinc/21/18/76/944211876.db2.gz IOZZBMWXFANDLZ-CVEARBPZSA-N 2 0 293.455 1.851 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCCC[NH+](C)Cc1ccccn1 ZINC001265072857 944219991 /nfs/dbraw/zinc/21/99/91/944219991.db2.gz HZBUSGCCANGESN-UHFFFAOYSA-N 2 0 292.427 1.360 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001277988921 944526073 /nfs/dbraw/zinc/52/60/73/944526073.db2.gz UQHIQUFHPZFZDK-ZDUSSCGKSA-N 2 0 267.417 1.175 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NCCC[NH+](C)CC2CCC2)C1 ZINC001265923871 944576163 /nfs/dbraw/zinc/57/61/63/944576163.db2.gz YJGQGNNEXWOAIY-AWEZNQCLSA-N 2 0 281.444 1.566 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001266138759 944709300 /nfs/dbraw/zinc/70/93/00/944709300.db2.gz SLJQVLHDRRFGRN-TZMCWYRMSA-N 2 0 267.417 1.317 10 0 CDAERP Cc1nc[nH]c1CC(=O)N[C@H](C[NH2+]CCF)C(C)(C)C ZINC001279027403 948615144 /nfs/dbraw/zinc/61/51/44/948615144.db2.gz BEXNEVRFQSINKZ-GFCCVEGCSA-N 2 0 284.379 1.351 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001479964506 971514210 /nfs/dbraw/zinc/51/42/10/971514210.db2.gz XZEXKUHHYQZISJ-PEGRTIRESA-N 2 0 281.444 1.873 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001479972102 971519046 /nfs/dbraw/zinc/51/90/46/971519046.db2.gz ASAJFSGWCQXHBV-OAHLLOKOSA-N 2 0 283.460 1.953 10 0 CDAERP CC1CC[NH+](CC(=O)N[C@H]2C[C@H]([NH2+]CCCF)C2)CC1 ZINC001480163864 971609766 /nfs/dbraw/zinc/60/97/66/971609766.db2.gz NGDOQGSUCAXQOW-HDJSIYSDSA-N 2 0 285.407 1.315 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@H]1CC[C@@H](C[NH2+]CCCF)C1 ZINC001278614538 950461826 /nfs/dbraw/zinc/46/18/26/950461826.db2.gz YLMKMOXRKTVOID-KGLIPLIRSA-N 2 0 285.407 1.316 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CCCO ZINC001480794038 971882006 /nfs/dbraw/zinc/88/20/06/971882006.db2.gz UWOZWOBPPIOQAG-CABCVRRESA-N 2 0 299.459 1.116 10 0 CDAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]C/C=C\Cl ZINC001325562549 953962832 /nfs/dbraw/zinc/96/28/32/953962832.db2.gz UDTVAIKVWNYFMX-RMKKPPKKSA-N 2 0 287.835 1.375 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001493232944 971992204 /nfs/dbraw/zinc/99/22/04/971992204.db2.gz HHNUOCOWDBJPKL-LLYBFZRZSA-N 2 0 281.444 1.733 10 0 CDAERP CC[C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H](C)[NH2+]1 ZINC001364159272 954268465 /nfs/dbraw/zinc/26/84/65/954268465.db2.gz URVUZLKJLWDLQL-QWHCGFSZSA-N 2 0 299.378 1.480 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CC[NH2+]CCF)C2)CC[N@@H+]1C ZINC001326273991 954297156 /nfs/dbraw/zinc/29/71/56/954297156.db2.gz YKOGNCNHHXRNAZ-SOUVJXGZSA-N 2 0 299.434 1.514 10 0 CDAERP CC(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001326432353 954378889 /nfs/dbraw/zinc/37/88/89/954378889.db2.gz ROSLFKCKQVVOKU-GJZGRUSLSA-N 2 0 281.444 1.422 10 0 CDAERP C[NH+](C)CCc1cccc(C(=O)N2CC(C[NH+](C)C)C2)c1 ZINC001363265127 972032261 /nfs/dbraw/zinc/03/22/61/972032261.db2.gz KBPJWWJQYZPLSN-UHFFFAOYSA-N 2 0 289.423 1.424 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cncs2)CC1 ZINC001327657700 954981885 /nfs/dbraw/zinc/98/18/85/954981885.db2.gz GHJSGNQJYJOFKB-UHFFFAOYSA-N 2 0 296.440 1.223 10 0 CDAERP C[C@@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH2+]CCF ZINC001491579528 955296597 /nfs/dbraw/zinc/29/65/97/955296597.db2.gz MIFZEWHEBNSAAF-FZMZJTMJSA-N 2 0 291.386 1.263 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CC1CC(F)(F)C1 ZINC001491569621 955309971 /nfs/dbraw/zinc/30/99/71/955309971.db2.gz SCYMFAJLRIGTDZ-JTQLQIEISA-N 2 0 277.359 1.078 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@](C)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001421587605 955421724 /nfs/dbraw/zinc/42/17/24/955421724.db2.gz OWFAXVVHAFOTFJ-GDBMZVCRSA-N 2 0 299.434 1.705 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH+](C)CCOCC)C1 ZINC001491959047 955547475 /nfs/dbraw/zinc/54/74/75/955547475.db2.gz IRYGVIBGWWDGHM-HNNXBMFYSA-N 2 0 299.459 1.288 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)CC[NH2+]CC1CC2(CCC2)C1 ZINC001493769815 972112274 /nfs/dbraw/zinc/11/22/74/972112274.db2.gz SEBZFHACDJGKPR-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)[N@H+](C)CCCN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001421889301 955633038 /nfs/dbraw/zinc/63/30/38/955633038.db2.gz LFXSETRCFZOVGI-UHFFFAOYSA-N 2 0 299.459 1.286 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+]CC1CCCCC1 ZINC001493806610 972116919 /nfs/dbraw/zinc/11/69/19/972116919.db2.gz LGZWBADVSBLHLF-UHFFFAOYSA-N 2 0 283.460 1.955 10 0 CDAERP CC/C=C/CC[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001492215083 955711910 /nfs/dbraw/zinc/71/19/10/955711910.db2.gz LQGKBKVVUWTVBF-GJBLVYBDSA-N 2 0 267.417 1.485 10 0 CDAERP CC(C)[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CCF ZINC001422114653 955751291 /nfs/dbraw/zinc/75/12/91/955751291.db2.gz GYOHYGWRGJDLSR-CHWSQXEVSA-N 2 0 273.396 1.028 10 0 CDAERP CC(C)[N@@H+]1CCCN(C[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001365269739 955800995 /nfs/dbraw/zinc/80/09/95/955800995.db2.gz VFNOYQAOBAXGLY-MRXNPFEDSA-N 2 0 283.460 1.371 10 0 CDAERP CC[N@H+](C)[C@H]1CCN(C(=O)NCC[NH+]2CC[C@H](C)C2)C1 ZINC001365274302 955806966 /nfs/dbraw/zinc/80/69/66/955806966.db2.gz HSGUWKZOYVWIFQ-KBPBESRZSA-N 2 0 282.432 1.064 10 0 CDAERP CC[NH+](CC)CCCN1CCC([NH2+]C2CCOCC2)CC1 ZINC001365330344 955905690 /nfs/dbraw/zinc/90/56/90/955905690.db2.gz VQGDFZLEMKYAEZ-UHFFFAOYSA-N 2 0 297.487 1.951 10 0 CDAERP CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)Cn1cncc1C ZINC001316687658 956025314 /nfs/dbraw/zinc/02/53/14/956025314.db2.gz MTZMUTDDPHKMCS-ZFWWWQNUSA-N 2 0 292.427 1.818 10 0 CDAERP CC/C=C\CC[N@H+](C)[C@H](C)CNC(=O)Cn1ccnc1 ZINC001329627450 956030322 /nfs/dbraw/zinc/03/03/22/956030322.db2.gz GOVOAEBKCLDGAZ-GEXIGZQTSA-N 2 0 278.400 1.676 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@H](C[NH2+]CC2CCC2)C2CC2)C1 ZINC001423053991 956546130 /nfs/dbraw/zinc/54/61/30/956546130.db2.gz ZKWVKFHIWWNUBP-GOEBONIOSA-N 2 0 293.455 1.613 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CCC(F)(F)F)C1 ZINC001366135057 956591157 /nfs/dbraw/zinc/59/11/57/956591157.db2.gz YDBVYDYLFNWUDM-XYPYZODXSA-N 2 0 295.349 1.516 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1c(C)noc1C)[NH+](C)C ZINC001366290131 956714248 /nfs/dbraw/zinc/71/42/48/956714248.db2.gz OCTAMYWEHFIQDG-IINYFYTJSA-N 2 0 296.415 1.226 10 0 CDAERP C[C@H]1C[C@H]([NH2+]Cc2ccon2)CCN1C(=O)CC[NH+](C)C ZINC001423457277 956794404 /nfs/dbraw/zinc/79/44/04/956794404.db2.gz HHHQLSXDUCOXDC-QWHCGFSZSA-N 2 0 294.399 1.095 10 0 CDAERP C[C@@H]([NH2+]CCF)[C@H]1CCN(C(=O)C(C)(C)c2cnc[nH]2)C1 ZINC001423954340 957054367 /nfs/dbraw/zinc/05/43/67/957054367.db2.gz ROKIIVBYRBGTDW-NEPJUHHUSA-N 2 0 296.390 1.483 10 0 CDAERP C[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)CC1CCC1 ZINC001316836400 957059748 /nfs/dbraw/zinc/05/97/48/957059748.db2.gz WXOHEYMZADHARX-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1CCC(F)(F)F ZINC001366677742 957107626 /nfs/dbraw/zinc/10/76/26/957107626.db2.gz LOJWINXUERQIED-NSHDSACASA-N 2 0 295.349 1.471 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001366702506 957123760 /nfs/dbraw/zinc/12/37/60/957123760.db2.gz NLMKSAHQCRDYTD-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@H](CCNC(=O)Cn2ccnc2)C1 ZINC001366854657 957225958 /nfs/dbraw/zinc/22/59/58/957225958.db2.gz UQWFRTKZAVMDAM-KBPBESRZSA-N 2 0 296.390 1.459 10 0 CDAERP CC[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001317062935 957239247 /nfs/dbraw/zinc/23/92/47/957239247.db2.gz VBKFXNCEQDVULN-STQMWFEESA-N 2 0 255.406 1.317 10 0 CDAERP CC[C@H](C)C[NH2+][C@@H](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001424596435 957281949 /nfs/dbraw/zinc/28/19/49/957281949.db2.gz CLOCRRXVXHLSII-KBPBESRZSA-N 2 0 283.460 1.859 10 0 CDAERP CC[C@@H](C(=O)NC[C@@H](C)[NH2+]CCC(C)C)[NH+](C)C ZINC001317266438 957391063 /nfs/dbraw/zinc/39/10/63/957391063.db2.gz WRSYOGGNGMLSFO-OLZOCXBDSA-N 2 0 257.422 1.467 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)NCCCCCC[NH3+])CC[N@@H+]1C ZINC001332141118 957448050 /nfs/dbraw/zinc/44/80/50/957448050.db2.gz AXYIYDXPEOABQB-KGLIPLIRSA-N 2 0 284.448 1.630 10 0 CDAERP CCCC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)CC)C(C)(C)C1 ZINC001425317092 957513756 /nfs/dbraw/zinc/51/37/56/957513756.db2.gz JSQQSXFHXMMMMU-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP CCCC[NH2+][C@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC001332436414 957565221 /nfs/dbraw/zinc/56/52/21/957565221.db2.gz DNRRZVIXWOMHRP-GJZGRUSLSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)CC1CC1 ZINC001317708602 957644954 /nfs/dbraw/zinc/64/49/54/957644954.db2.gz IWKDGQTYZFNDSJ-OAHLLOKOSA-N 2 0 281.444 1.565 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CC2CCC2)C(C)(C)C1 ZINC001425959889 957650111 /nfs/dbraw/zinc/65/01/11/957650111.db2.gz FGIKXNWVUNIXGR-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP CCCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001317862265 957698294 /nfs/dbraw/zinc/69/82/94/957698294.db2.gz UXUHTWWMMHPYOY-JKSUJKDBSA-N 2 0 295.471 1.909 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]C[C@@H](F)CC)[NH+](C)C ZINC001367222668 957845277 /nfs/dbraw/zinc/84/52/77/957845277.db2.gz MULVGKNNZZRKHJ-BFHYXJOUSA-N 2 0 287.423 1.655 10 0 CDAERP CC[NH2+]C1(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CCCC1 ZINC001367327868 957933347 /nfs/dbraw/zinc/93/33/47/957933347.db2.gz DGMOBVMJARGGIJ-KBPBESRZSA-N 2 0 281.444 1.898 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001367329315 957933930 /nfs/dbraw/zinc/93/39/30/957933930.db2.gz YSKRIOQMBAPMAJ-UONOGXRCSA-N 2 0 299.434 1.705 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N[C@](C)(C[NH2+]CCCF)C2CC2)C1 ZINC001318727243 958245992 /nfs/dbraw/zinc/24/59/92/958245992.db2.gz KQZRXZGKFLNXEX-IUODEOHRSA-N 2 0 285.407 1.172 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001367754135 958303688 /nfs/dbraw/zinc/30/36/88/958303688.db2.gz CSPSKZYMXIAUGE-MELADBBJSA-N 2 0 271.449 1.713 10 0 CDAERP CC[N@H+](C)CCC(=O)NCC1=CC[NH+](C[C@@H](C)OC)CC1 ZINC001333432614 958334492 /nfs/dbraw/zinc/33/44/92/958334492.db2.gz RKUSWEWDCNCNNG-CQSZACIVSA-N 2 0 297.443 1.111 10 0 CDAERP CC(C)C[NH2+]C[C@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001367893946 958461683 /nfs/dbraw/zinc/46/16/83/958461683.db2.gz FNARZXUALWGBPH-CVEARBPZSA-N 2 0 293.455 1.469 10 0 CDAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]CCC(C)(C)C ZINC001319281029 958473640 /nfs/dbraw/zinc/47/36/40/958473640.db2.gz CARPWERVNUDZGV-CQSZACIVSA-N 2 0 283.460 1.860 10 0 CDAERP C[C@@H](C[NH2+]C/C=C\Cl)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001319558950 958631360 /nfs/dbraw/zinc/63/13/60/958631360.db2.gz CBGQQJLBNLWZBL-RYBZSIHZSA-N 2 0 285.819 1.271 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@]1(C)CC[NH+](CCCF)C1 ZINC001368150437 958666452 /nfs/dbraw/zinc/66/64/52/958666452.db2.gz HKPNBBVECVQIBR-HOCLYGCPSA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CCCF ZINC001319915152 958786672 /nfs/dbraw/zinc/78/66/72/958786672.db2.gz INEYDDKBDNYTEA-HUUCEWRRSA-N 2 0 299.434 1.418 10 0 CDAERP C[C@@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC1CCC1 ZINC001368736613 959091613 /nfs/dbraw/zinc/09/16/13/959091613.db2.gz MZNTZEOUVWMYJS-KBPBESRZSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CCC(C)C ZINC001495094378 972404631 /nfs/dbraw/zinc/40/46/31/972404631.db2.gz OTMBIUZOLGHOQB-LSDHHAIUSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@@H](NC(=O)C12CCC[NH+]1CCC2)[C@@H](C)[NH2+]CCC1CC1 ZINC001368871437 959211400 /nfs/dbraw/zinc/21/14/00/959211400.db2.gz PQXBQGXAILCYEQ-ZIAGYGMSSA-N 2 0 293.455 1.898 10 0 CDAERP CC[C@H](F)C[N@H+](C)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001368953906 959322848 /nfs/dbraw/zinc/32/28/48/959322848.db2.gz MJPPFHIVFZWBPT-OLZOCXBDSA-N 2 0 287.423 1.655 10 0 CDAERP CCN(CC[NH2+]C[C@@H]1CC[C@H](C)O1)C(=O)C[N@H+](C)C(C)C ZINC001320929190 959463539 /nfs/dbraw/zinc/46/35/39/959463539.db2.gz QUEUYLPUBJVILY-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP CC[C@H](C(=O)NC/C=C\C[NH2+]Cc1ccccn1)[NH+](C)C ZINC001321108270 959597171 /nfs/dbraw/zinc/59/71/71/959597171.db2.gz FFOBXILMWFGCKT-ZPIQOJFGSA-N 2 0 290.411 1.184 10 0 CDAERP CC(C)[NH2+]C/C=C/CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001321110445 959598252 /nfs/dbraw/zinc/59/82/52/959598252.db2.gz ZJUHAELVRKZRRE-GWJCSSMESA-N 2 0 255.406 1.243 10 0 CDAERP C[C@@H]1[C@H]([NH2+]CCC(F)(F)F)CCN1C(=O)CC[NH+](C)C ZINC001369399043 959663411 /nfs/dbraw/zinc/66/34/11/959663411.db2.gz WBFDXLOOQGXMQY-GHMZBOCLSA-N 2 0 295.349 1.470 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccon2)C1 ZINC001369430826 959682409 /nfs/dbraw/zinc/68/24/09/959682409.db2.gz YYSWKGPXCUFBPO-QWHCGFSZSA-N 2 0 294.399 1.001 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]([NH2+]Cc1cncs1)C1CC1 ZINC001370210039 960023825 /nfs/dbraw/zinc/02/38/25/960023825.db2.gz CDYLOZUXZGBYIZ-ZDUSSCGKSA-N 2 0 296.440 1.079 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]C/C(Cl)=C/Cl)C1 ZINC001370511727 960135605 /nfs/dbraw/zinc/13/56/05/960135605.db2.gz AIRKBFGIAYETRE-ANBAGDJKSA-N 2 0 294.226 1.494 10 0 CDAERP CC(C)CC[N@@H+]1CCC[C@H](CNC(=O)Cc2c[nH]cn2)C1 ZINC001370775261 960197808 /nfs/dbraw/zinc/19/78/08/960197808.db2.gz LUNKMAHTBMAPAL-CQSZACIVSA-N 2 0 292.427 1.827 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH2+]CCC(F)(F)F ZINC001322843619 960339578 /nfs/dbraw/zinc/33/95/78/960339578.db2.gz DPGZXOIQFLPHQA-UHFFFAOYSA-N 2 0 297.365 1.717 10 0 CDAERP CCC[N@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001418707768 960926422 /nfs/dbraw/zinc/92/64/22/960926422.db2.gz BZDMOFOAKBQOTC-HNNXBMFYSA-N 2 0 281.444 1.565 10 0 CDAERP CC[N@@H+]1CCC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001323814151 960981250 /nfs/dbraw/zinc/98/12/50/960981250.db2.gz XVAVNHQHTBNOIK-HNNXBMFYSA-N 2 0 267.417 1.273 10 0 CDAERP CC[C@@H](C(=O)NCC1C[NH+](CC[C@H](C)F)C1)[NH+](C)C ZINC001419036733 961290971 /nfs/dbraw/zinc/29/09/71/961290971.db2.gz UVVWMAAEVGIBTG-AAEUAGOBSA-N 2 0 273.396 1.123 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)[NH2+]CC1CC1 ZINC001419276739 961576660 /nfs/dbraw/zinc/57/66/60/961576660.db2.gz VKMBFHZOLUWZJK-GJZGRUSLSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)C[N@H+](C)C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001419352144 961624203 /nfs/dbraw/zinc/62/42/03/961624203.db2.gz WLBGVEZFRNJBEB-MRXNPFEDSA-N 2 0 295.471 1.909 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]2C[NH+](CCF)CC[C@@H]21 ZINC001419448057 961717029 /nfs/dbraw/zinc/71/70/29/961717029.db2.gz MKXOBMFOYATULX-CABCVRRESA-N 2 0 299.434 1.611 10 0 CDAERP C[C@H](C[NH2+]Cc1nccs1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001419654940 961929917 /nfs/dbraw/zinc/92/99/17/961929917.db2.gz QYAMYUTVLZLKLX-NEPJUHHUSA-N 2 0 296.440 1.174 10 0 CDAERP CC(C)[NH2+][C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C(C)C ZINC001419878542 962190223 /nfs/dbraw/zinc/19/02/23/962190223.db2.gz NJSXCAFUABFGQI-HUUCEWRRSA-N 2 0 283.460 2.000 10 0 CDAERP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1 ZINC001419897842 962214837 /nfs/dbraw/zinc/21/48/37/962214837.db2.gz MCBSUYSRIRTCRP-ZBFHGGJFSA-N 2 0 289.423 1.623 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001436870056 962467172 /nfs/dbraw/zinc/46/71/72/962467172.db2.gz QCSFGCCPWWQNMK-IHRRRGAJSA-N 2 0 285.407 1.409 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001436903056 962487474 /nfs/dbraw/zinc/48/74/74/962487474.db2.gz QIUVOOGXPHTAEZ-TUVASFSCSA-N 2 0 299.434 1.846 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001436915430 962496451 /nfs/dbraw/zinc/49/64/51/962496451.db2.gz VWIKWKWDLVMNOL-SYQHCUMBSA-N 2 0 285.407 1.456 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001437310736 962800284 /nfs/dbraw/zinc/80/02/84/962800284.db2.gz KZFBDCJQCTYVHJ-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@H](CCNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]CCF ZINC001437413524 962871183 /nfs/dbraw/zinc/87/11/83/962871183.db2.gz YKWUJFKKMGMNAG-ZIAGYGMSSA-N 2 0 287.423 1.705 10 0 CDAERP C[C@@H](C[NH2+]CC1CCCC1)NC(=O)C1([NH+](C)C)CCC1 ZINC001420436605 962906880 /nfs/dbraw/zinc/90/68/80/962906880.db2.gz LCYYRWNPJFWRAY-ZDUSSCGKSA-N 2 0 281.444 1.755 10 0 CDAERP CC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001420776666 963233035 /nfs/dbraw/zinc/23/30/35/963233035.db2.gz PUUWWDXSXAPDRL-HZPDHXFCSA-N 2 0 289.423 1.938 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001437956107 963253770 /nfs/dbraw/zinc/25/37/70/963253770.db2.gz DZIMQDMQOKLISD-HNNXBMFYSA-N 2 0 283.460 1.811 10 0 CDAERP CC[C@H](C(=O)NCC[C@H]1CC[N@H+](CCC2CC2)C1)[NH+](C)C ZINC001420902193 963344932 /nfs/dbraw/zinc/34/49/32/963344932.db2.gz ZFZAEHBBEIOJBD-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP CCCC[N@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001420954519 963381239 /nfs/dbraw/zinc/38/12/39/963381239.db2.gz ZUPLGVGOALUHMF-HZPDHXFCSA-N 2 0 295.471 1.909 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001421208992 963502143 /nfs/dbraw/zinc/50/21/43/963502143.db2.gz LSMCCRWXTPDIAR-MRXNPFEDSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CC1CC1 ZINC001421417003 963598953 /nfs/dbraw/zinc/59/89/53/963598953.db2.gz FTLDUFANGQAECZ-HNNXBMFYSA-N 2 0 293.455 1.757 10 0 CDAERP Cc1ccccc1C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001439105465 963643324 /nfs/dbraw/zinc/64/33/24/963643324.db2.gz UDIDTSQMHZYQOW-ZBFHGGJFSA-N 2 0 289.423 1.684 10 0 CDAERP CC(C)C[N@H+](C)C[C@@H](C)NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001439335819 963727167 /nfs/dbraw/zinc/72/71/67/963727167.db2.gz ZEWPMJPKUNNOAV-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001439568166 963802496 /nfs/dbraw/zinc/80/24/96/963802496.db2.gz BXMNWQBIUGVQBG-HNNXBMFYSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[NH+]1CCC(C)(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001439811283 963867036 /nfs/dbraw/zinc/86/70/36/963867036.db2.gz ZPZXUGUSKJXBNX-AWEZNQCLSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001440672917 964132746 /nfs/dbraw/zinc/13/27/46/964132746.db2.gz XJWMPCJMTZBTML-GJZGRUSLSA-N 2 0 283.460 1.859 10 0 CDAERP Cc1csc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[NH+](C)C)n1 ZINC001440825572 964197961 /nfs/dbraw/zinc/19/79/61/964197961.db2.gz CKEMBSOZUAQQMY-NWDGAFQWSA-N 2 0 298.456 1.386 10 0 CDAERP CCC[N@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001441030837 964338728 /nfs/dbraw/zinc/33/87/28/964338728.db2.gz GYUXYHXXJLSIPH-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)CC[NH+]1CC([C@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001441205750 964419538 /nfs/dbraw/zinc/41/95/38/964419538.db2.gz KSXHKROMLCRWEK-LSDHHAIUSA-N 2 0 295.471 1.811 10 0 CDAERP CC[C@@H](C)C[NH+]1CC([C@@H](C)NC(=O)CC[N@H+](C)CC)C1 ZINC001441222565 964424795 /nfs/dbraw/zinc/42/47/95/964424795.db2.gz ZOGOOHWMSWBEJX-ZIAGYGMSSA-N 2 0 283.460 1.811 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001441363580 964475927 /nfs/dbraw/zinc/47/59/27/964475927.db2.gz JYDLYNJIPTZWBR-FZKCQIBNSA-N 2 0 295.471 1.859 10 0 CDAERP C[C@@H]1[C@H]([NH2+]C/C=C/Cl)CCN1C(=O)CC[NH+](C)C ZINC001441816007 964732647 /nfs/dbraw/zinc/73/26/47/964732647.db2.gz CVXVHXHNRFPDJT-KSOFABFVSA-N 2 0 273.808 1.270 10 0 CDAERP Cc1ncc(C[NH2+][C@H](C)CNC(=O)C2([NH+](C)C)CCC2)o1 ZINC001441836660 964741882 /nfs/dbraw/zinc/74/18/82/964741882.db2.gz CRHMJJFTQCJCGQ-LLVKDONJSA-N 2 0 294.399 1.062 10 0 CDAERP C[C@H](NC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C1=CC[N@H+](C)CC1 ZINC001556159944 965003769 /nfs/dbraw/zinc/00/37/69/965003769.db2.gz LNCPSLQQKNUCBF-NUEKZKHPSA-N 2 0 293.455 1.873 10 0 CDAERP CCC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001569401101 1169857541 /nfs/dbraw/zinc/85/75/41/1169857541.db2.gz FHHSKQCFYVJZTL-QWHCGFSZSA-N 2 0 267.417 1.365 10 0 CDAERP Cc1ccc(C[N@@H+](C)CCNC(=O)CC[NH+](C)C)cc1F ZINC001442502319 965091022 /nfs/dbraw/zinc/09/10/22/965091022.db2.gz MZKLWTMFWDOZSM-UHFFFAOYSA-N 2 0 295.402 1.634 10 0 CDAERP CC[N@H+](CCNC(=O)C[NH+]1CCCC1)CC[C@H](C)F ZINC001442746927 965196340 /nfs/dbraw/zinc/19/63/40/965196340.db2.gz SSZCVVVOFOKOGI-ZDUSSCGKSA-N 2 0 273.396 1.268 10 0 CDAERP C[NH+](C)CCCC(=O)NC1C[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC001443513361 965498072 /nfs/dbraw/zinc/49/80/72/965498072.db2.gz RVUXYMVHCHYVLA-KFWWJZLASA-N 2 0 293.455 1.565 10 0 CDAERP CC(C)=CC[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001569415428 1169870922 /nfs/dbraw/zinc/87/09/22/1169870922.db2.gz GEMYIMKKYJEXKU-UHFFFAOYSA-N 2 0 279.428 1.533 10 0 CDAERP CCC(CC)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001445543968 966233225 /nfs/dbraw/zinc/23/32/25/966233225.db2.gz AFHUFZIKXDQDPW-GZBFAFLISA-N 2 0 283.460 1.857 10 0 CDAERP CCCCCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H]2C[NH+](C)C[C@@H]21 ZINC001349780630 966468226 /nfs/dbraw/zinc/46/82/26/966468226.db2.gz YKLBNJBVGWGEJC-HRCADAONSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001446439398 966544175 /nfs/dbraw/zinc/54/41/75/966544175.db2.gz HHRIPDRPEKHUCH-HZPDHXFCSA-N 2 0 293.455 1.565 10 0 CDAERP CC(C)[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCCC1 ZINC001446491069 966556288 /nfs/dbraw/zinc/55/62/88/966556288.db2.gz RDVABYJVBXQPQO-BMFZPTHFSA-N 2 0 295.471 2.000 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CCC[NH+](C)CCCO ZINC001447372443 966770862 /nfs/dbraw/zinc/77/08/62/966770862.db2.gz JPUVQZCPWYCSRR-GASCZTMLSA-N 2 0 299.459 1.022 10 0 CDAERP CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C(C)(C)n1cnc(C)c1 ZINC001448598558 967165147 /nfs/dbraw/zinc/16/51/47/967165147.db2.gz POEMPZUEQOFGFY-AWEZNQCLSA-N 2 0 292.427 1.773 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)CC[NH+](C)C ZINC001543359675 967290892 /nfs/dbraw/zinc/29/08/92/967290892.db2.gz USKBDHNPTCTNTI-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCC(C)C)[C@H]1C ZINC001448981046 967323217 /nfs/dbraw/zinc/32/32/17/967323217.db2.gz OPUVWQUOSLEOCA-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]CC2CC2)C(C)(C)C)C1 ZINC001449325573 967432862 /nfs/dbraw/zinc/43/28/62/967432862.db2.gz NZORKTSHCYNIKT-UONOGXRCSA-N 2 0 281.444 1.469 10 0 CDAERP C[C@@H](CCNC(=O)c1cccc(CC[NH+](C)C)c1)[NH+](C)C ZINC001453172686 968257523 /nfs/dbraw/zinc/25/75/23/968257523.db2.gz WKRHGBVWQHYDAC-AWEZNQCLSA-N 2 0 291.439 1.861 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C12CCC2 ZINC001454180776 968440396 /nfs/dbraw/zinc/44/03/96/968440396.db2.gz UXQJDVCPJMNJHR-KGLIPLIRSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)[C@H](O)c1ccc2c(c1)OCO2 ZINC000848721210 969255698 /nfs/dbraw/zinc/25/56/98/969255698.db2.gz BVZQQUSBWGTGCC-XQCUEUFKSA-N 2 0 292.379 1.697 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@@H](OC(C)(C)C)C1 ZINC000849046274 969433817 /nfs/dbraw/zinc/43/38/17/969433817.db2.gz PBSXDABODWGAGP-MCIONIFRSA-N 2 0 296.459 1.931 10 0 CDAERP OC1(C[NH+]2CCCCC2)CC[NH+]([C@@H]2CCOC2)CC1 ZINC001460945773 969571131 /nfs/dbraw/zinc/57/11/31/969571131.db2.gz OYZNSYBBYOUDQO-CQSZACIVSA-N 2 0 268.401 1.088 10 0 CDAERP C[C@H]([C@H](C)O)[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001460970465 969579716 /nfs/dbraw/zinc/57/97/16/969579716.db2.gz GFABAQGULVZNPA-BARDWOONSA-N 2 0 252.402 1.564 10 0 CDAERP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H]1CCOCC12CCCC2 ZINC001414055903 969897966 /nfs/dbraw/zinc/89/79/66/969897966.db2.gz QAHTUJFDMKSESW-KBPBESRZSA-N 2 0 270.417 1.238 10 0 CDAERP CN(C)Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)o1 ZINC001361670475 970402564 /nfs/dbraw/zinc/40/25/64/970402564.db2.gz QDNQZPQPHMUPDV-GFCCVEGCSA-N 2 0 291.395 1.555 10 0 CDAERP CC[NH+](CC)CC[C@H](C)NC(=O)C[NH2+]C(C)(C)C ZINC001522839281 970583941 /nfs/dbraw/zinc/58/39/41/970583941.db2.gz HQDOLTQOIWIIAY-LBPRGKRZSA-N 2 0 257.422 1.611 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001361838979 970590227 /nfs/dbraw/zinc/59/02/27/970590227.db2.gz VWQZRUKFVBLKAD-MRXNPFEDSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001495578213 972542816 /nfs/dbraw/zinc/54/28/16/972542816.db2.gz MULVGKNNZZRKHJ-MCIONIFRSA-N 2 0 287.423 1.655 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001495583723 972544313 /nfs/dbraw/zinc/54/43/13/972544313.db2.gz ZZIVQUITJMMKAV-CQSZACIVSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)CCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001495808324 972644589 /nfs/dbraw/zinc/64/45/89/972644589.db2.gz JNSBRVUUNDSPEW-CABCVRRESA-N 2 0 283.460 1.716 10 0 CDAERP CC(C)[C@H](C(=O)NCC[N@H+](C)CC[C@H](C)F)[NH+](C)C ZINC001372192299 972836761 /nfs/dbraw/zinc/83/67/61/972836761.db2.gz XNPVROQGWKLBFF-QWHCGFSZSA-N 2 0 275.412 1.369 10 0 CDAERP CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH]cn1 ZINC001496415447 972914463 /nfs/dbraw/zinc/91/44/63/972914463.db2.gz GHFUDUWUBVSYTG-HIFRSBDPSA-N 2 0 292.427 1.969 10 0 CDAERP CCC[N@H+](CCF)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001372722542 973096944 /nfs/dbraw/zinc/09/69/44/973096944.db2.gz FTOBJJNOJUIHAB-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)C[C@@H]1CC[NH+]1CCC(C)C ZINC001417748864 973357257 /nfs/dbraw/zinc/35/72/57/973357257.db2.gz WDNOPWSDVCPIAL-HNNXBMFYSA-N 2 0 283.460 1.907 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC001417809630 973395588 /nfs/dbraw/zinc/39/55/88/973395588.db2.gz AKCLKVGNXUKCGV-ILXRZTDVSA-N 2 0 281.444 1.659 10 0 CDAERP C[C@H](C[NH2+]CCCC1CCC1)NC(=O)C[NH+]1CCCC1 ZINC001497983330 973598498 /nfs/dbraw/zinc/59/84/98/973598498.db2.gz BFMWZTDVPHASHV-CQSZACIVSA-N 2 0 281.444 1.757 10 0 CDAERP CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC[C@H](C)F ZINC001373818920 973655561 /nfs/dbraw/zinc/65/55/61/973655561.db2.gz AWRHFIBPRUQCRC-STQMWFEESA-N 2 0 285.407 1.315 10 0 CDAERP CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]Cc1conc1C ZINC001373836169 973663667 /nfs/dbraw/zinc/66/36/67/973663667.db2.gz OKDABNLLSOWWDR-AWEZNQCLSA-N 2 0 296.415 1.308 10 0 CDAERP CCCC[NH2+]C[C@]1(C)CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001569681195 1169965287 /nfs/dbraw/zinc/96/52/87/1169965287.db2.gz GPNIYXCIZMTAQY-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP CC[C@@H](C)C[NH+]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001374298014 973881657 /nfs/dbraw/zinc/88/16/57/973881657.db2.gz GKUCUIXOEAMTMN-GDBMZVCRSA-N 2 0 293.455 1.519 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CCC([NH+]3CCC3)CC2)C1 ZINC001418527626 973930244 /nfs/dbraw/zinc/93/02/44/973930244.db2.gz NZKXIGNEMWWKLQ-OAHLLOKOSA-N 2 0 293.455 1.804 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH2+]C(C)C)C(C)C ZINC001374455002 973952774 /nfs/dbraw/zinc/95/27/74/973952774.db2.gz RUPMQWJKPPGALV-GJZGRUSLSA-N 2 0 283.460 2.000 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1ccccn1)[NH+](C)C ZINC001374777629 974114420 /nfs/dbraw/zinc/11/44/20/974114420.db2.gz VJEHGIDSUJFQJO-TZMCWYRMSA-N 2 0 278.400 1.016 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001499120688 974190064 /nfs/dbraw/zinc/19/00/64/974190064.db2.gz SQOMNQYREBMWQN-DPOFCPOHSA-N 2 0 279.428 1.485 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@@](C)(C[NH2+]C(C)C)C2)CC[N@@H+]1C ZINC001500348036 974425761 /nfs/dbraw/zinc/42/57/61/974425761.db2.gz RHTNQDDYRRKOFH-UXLLHSPISA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC)CC(C)(C)C1)[NH+](C)C ZINC001375690221 974456758 /nfs/dbraw/zinc/45/67/58/974456758.db2.gz STUUTPICJGGVJO-KBPBESRZSA-N 2 0 283.460 1.953 10 0 CDAERP CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001376074940 974554082 /nfs/dbraw/zinc/55/40/82/974554082.db2.gz CXKCYRZBGKNFIP-GOEBONIOSA-N 2 0 299.459 1.070 10 0 CDAERP CC1CC[NH+](CC(=O)N2CC[C@H](CC[NH2+]CCF)C2)CC1 ZINC001501632242 974613078 /nfs/dbraw/zinc/61/30/78/974613078.db2.gz NKUVWKZFHYJJQR-HNNXBMFYSA-N 2 0 299.434 1.516 10 0 CDAERP CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001501651064 974617668 /nfs/dbraw/zinc/61/76/68/974617668.db2.gz LHOGBQWPWOYKSQ-HUUCEWRRSA-N 2 0 281.444 1.709 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]([NH2+]C/C=C/Cl)C2)C1 ZINC001376334812 974632321 /nfs/dbraw/zinc/63/23/21/974632321.db2.gz AFXCQFGHVFUCBV-USIDBCOTSA-N 2 0 285.819 1.271 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]C/C=C\Cl)C2)CC[N@@H+]1C ZINC001376371777 974645555 /nfs/dbraw/zinc/64/55/55/974645555.db2.gz PODOPEVXXJKEBL-UAGVBXJVSA-N 2 0 299.846 1.706 10 0 CDAERP Cc1ncoc1C[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001376406534 974652848 /nfs/dbraw/zinc/65/28/48/974652848.db2.gz ZWTOQJMDRQOKRN-ZDUSSCGKSA-N 2 0 294.399 1.015 10 0 CDAERP C[NH+](C)CCC(=O)N1CCCC[C@@H]1C[NH2+]C/C=C\Cl ZINC001501889081 974653205 /nfs/dbraw/zinc/65/32/05/974653205.db2.gz PLTWNALPKWPNAT-DMTLFAOVSA-N 2 0 287.835 1.661 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCF ZINC001376520302 974680409 /nfs/dbraw/zinc/68/04/09/974680409.db2.gz VMWNGCDLCZAVAC-UONOGXRCSA-N 2 0 285.407 1.363 10 0 CDAERP CN(CCC[N@H+](C)Cc1cccnc1)C(=O)CC[NH+](C)C ZINC001502371566 974727288 /nfs/dbraw/zinc/72/72/88/974727288.db2.gz PPZYLVCIMLJLIJ-UHFFFAOYSA-N 2 0 292.427 1.314 10 0 CDAERP CC(C)[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001376741412 974751511 /nfs/dbraw/zinc/75/15/11/974751511.db2.gz CRZCYPXLKGPGKE-UKRRQHHQSA-N 2 0 281.444 1.896 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001376916479 974817309 /nfs/dbraw/zinc/81/73/09/974817309.db2.gz YXLCCYNGLYOUAQ-KBPBESRZSA-N 2 0 285.407 1.267 10 0 CDAERP C[C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccccn1 ZINC001377012763 974852787 /nfs/dbraw/zinc/85/27/87/974852787.db2.gz KJQIHPNWCDFLFG-HIFRSBDPSA-N 2 0 290.411 1.160 10 0 CDAERP C[C@H](CCNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC1CCC1 ZINC001377104223 974882694 /nfs/dbraw/zinc/88/26/94/974882694.db2.gz RBTLZTBNZBIBIR-UKRRQHHQSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NCC[C@H](C)[NH2+]C[C@H]1CCCOC1 ZINC001377110546 974886571 /nfs/dbraw/zinc/88/65/71/974886571.db2.gz MOPHFEJNFMJNSY-LSDHHAIUSA-N 2 0 299.459 1.238 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]CCF)CC1 ZINC001505724536 974973908 /nfs/dbraw/zinc/97/39/08/974973908.db2.gz JOAPTSJNOGZAPW-CHWSQXEVSA-N 2 0 287.423 1.559 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1CC1CC(C)(C)C1 ZINC001377417898 975016956 /nfs/dbraw/zinc/01/69/56/975016956.db2.gz XWJLPZGXVHADDR-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001377451238 975031901 /nfs/dbraw/zinc/03/19/01/975031901.db2.gz HWHWTEWXSNSNEP-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP C[N@H+](CCCF)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001377658439 975103341 /nfs/dbraw/zinc/10/33/41/975103341.db2.gz RBVOJKFKVMXHQH-CABCVRRESA-N 2 0 299.434 1.753 10 0 CDAERP CCC[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)c1ccccc1 ZINC001377707261 975116691 /nfs/dbraw/zinc/11/66/91/975116691.db2.gz NHMYSSZUEFEEPF-MRXNPFEDSA-N 2 0 289.423 1.939 10 0 CDAERP C[N@H+](CCF)CC1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001377788724 975140887 /nfs/dbraw/zinc/14/08/87/975140887.db2.gz LLXPPFHEXKTDOE-OAHLLOKOSA-N 2 0 299.434 1.468 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C1C[NH+](CC[C@@H](C)F)C1 ZINC001506679312 975202104 /nfs/dbraw/zinc/20/21/04/975202104.db2.gz OJSGGPULGAPVPF-CHWSQXEVSA-N 2 0 287.423 1.511 10 0 CDAERP C[C@@H](F)CC[NH2+]CCC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001506946689 975269790 /nfs/dbraw/zinc/26/97/90/975269790.db2.gz NRULFYRQBDTBPP-ZIAGYGMSSA-N 2 0 299.434 1.705 10 0 CDAERP CC(C)[N@H+](C)CCOCCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001506972309 975280196 /nfs/dbraw/zinc/28/01/96/975280196.db2.gz DFMSNBFCZTUZCE-OAHLLOKOSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)[N@H+](C)CCOCCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001506972308 975281019 /nfs/dbraw/zinc/28/10/19/975281019.db2.gz DFMSNBFCZTUZCE-HNNXBMFYSA-N 2 0 299.459 1.332 10 0 CDAERP CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001507015487 975296294 /nfs/dbraw/zinc/29/62/94/975296294.db2.gz OADMZHACNMTNDA-HNNXBMFYSA-N 2 0 293.455 1.709 10 0 CDAERP CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001507113057 975339843 /nfs/dbraw/zinc/33/98/43/975339843.db2.gz MQVLUXLCQHSETP-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)C[NH2+]C[C@@](C)(NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001378408303 975346850 /nfs/dbraw/zinc/34/68/50/975346850.db2.gz CLUBFFPHBPEZEY-MRXNPFEDSA-N 2 0 293.455 1.613 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[N@H+](CC(C)C)CC1(C)C)[NH+](C)C ZINC001378661710 975432011 /nfs/dbraw/zinc/43/20/11/975432011.db2.gz HMFYHPOWNCELLP-KGLIPLIRSA-N 2 0 283.460 1.809 10 0 CDAERP CCC[NH+]1CCC(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001401078911 975451179 /nfs/dbraw/zinc/45/11/79/975451179.db2.gz IBUMWSDBLGSNPU-UHFFFAOYSA-N 2 0 281.444 1.711 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(C)C)C[C@H]21)[NH+](C)C ZINC001378707560 975451542 /nfs/dbraw/zinc/45/15/42/975451542.db2.gz ZWYULOWDYVHPDD-APIJFGDWSA-N 2 0 281.444 1.277 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@@H]1[C@H]2C[NH+](CC(C)C)C[C@H]21 ZINC001378735541 975463959 /nfs/dbraw/zinc/46/39/59/975463959.db2.gz XFJCOZPNPINXBP-QKDCVEJESA-N 2 0 281.444 1.278 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CCC[N@H+](CC[C@@H](C)F)C1)[NH+](C)C ZINC001404725443 975469846 /nfs/dbraw/zinc/46/98/46/975469846.db2.gz XKGKCARLJMNLSL-HZSPNIEDSA-N 2 0 287.423 1.655 10 0 CDAERP C[N@H+](CC(=O)NCC1C[NH+](CCC(C)(C)C)C1)C1CCC1 ZINC001404890979 975531369 /nfs/dbraw/zinc/53/13/69/975531369.db2.gz MBHHVWUGHYLOLT-UHFFFAOYSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[NH+](C)CC(=O)N(C)C[C@@H]1CC[N@H+]1CCC[C@H](C)O ZINC001388665345 975544374 /nfs/dbraw/zinc/54/43/74/975544374.db2.gz LANNUCUPRSAXJU-GJZGRUSLSA-N 2 0 299.459 1.020 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1CC1CC(C)C1 ZINC001397572593 975638045 /nfs/dbraw/zinc/63/80/45/975638045.db2.gz JCKCKOUMNBDFRC-GPANFISMSA-N 2 0 295.471 1.905 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001379085100 975651688 /nfs/dbraw/zinc/65/16/88/975651688.db2.gz WGMWCPSRBKYGAK-KBPBESRZSA-N 2 0 287.423 1.609 10 0 CDAERP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1ccns1 ZINC001379224960 975721304 /nfs/dbraw/zinc/72/13/04/975721304.db2.gz PNJASJOHLMZPOA-NSHDSACASA-N 2 0 284.429 1.031 10 0 CDAERP CC(C)C[N@@H+]1CCC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001405619574 975784421 /nfs/dbraw/zinc/78/44/21/975784421.db2.gz CAULFCICUYULOQ-UHFFFAOYSA-N 2 0 295.471 1.909 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1cncc(F)c1 ZINC001401716832 975829455 /nfs/dbraw/zinc/82/94/55/975829455.db2.gz KDXDMIPBFBBFLJ-LBPRGKRZSA-N 2 0 296.390 1.157 10 0 CDAERP CC[C@@H](C)C[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001401965689 976044830 /nfs/dbraw/zinc/04/48/30/976044830.db2.gz VFHXNRWWFMDQIX-CYBMUJFWSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001406182701 976086419 /nfs/dbraw/zinc/08/64/19/976086419.db2.gz IPDZBLXEBRAFIF-LSDHHAIUSA-N 2 0 293.455 1.613 10 0 CDAERP O=C(Cn1ccnc1)NC[C@H]1CCCC[N@@H+]1CC1CC1 ZINC001398757761 976139466 /nfs/dbraw/zinc/13/94/66/976139466.db2.gz BZKWGFAOHUNWBM-CQSZACIVSA-N 2 0 276.384 1.264 10 0 CDAERP CC(C)[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C1CCCC1 ZINC001402144653 976146669 /nfs/dbraw/zinc/14/66/69/976146669.db2.gz YORKYDMTKSACTC-HNNXBMFYSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)[C@@H](C(=O)NCC1([NH2+]CC[C@H](C)F)CC1)[NH+](C)C ZINC001380102040 976245141 /nfs/dbraw/zinc/24/51/41/976245141.db2.gz WFZLSWZZKWJGOZ-STQMWFEESA-N 2 0 287.423 1.559 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]([NH2+]CCC2CC2)C2CC2)C1 ZINC001402367366 976252824 /nfs/dbraw/zinc/25/28/24/976252824.db2.gz SDRKDEFIIBWXGB-ZBFHGGJFSA-N 2 0 293.455 1.613 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C1CC[NH+](C(C)C)CC1)[NH+](C)C ZINC001380131573 976255470 /nfs/dbraw/zinc/25/54/70/976255470.db2.gz UXHPZRMZTAXXRR-UKRRQHHQSA-N 2 0 283.460 1.952 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H]2C[N@H+](C/C=C\Cl)C[C@H]21 ZINC001402477923 976302828 /nfs/dbraw/zinc/30/28/28/976302828.db2.gz ZKPGGKIHJBILPJ-WREBYIDWSA-N 2 0 299.846 1.613 10 0 CDAERP C[C@@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH2+]CC1CC1 ZINC001399042438 976307188 /nfs/dbraw/zinc/30/71/88/976307188.db2.gz WSLAROLXICCZSV-BLLLJJGKSA-N 2 0 299.434 1.703 10 0 CDAERP C[C@@H](F)CC[N@H+](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001406700781 976373625 /nfs/dbraw/zinc/37/36/25/976373625.db2.gz SYEAJEVUVUJMGU-OLZOCXBDSA-N 2 0 285.407 1.267 10 0 CDAERP CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+](C)CC ZINC001380759002 976541890 /nfs/dbraw/zinc/54/18/90/976541890.db2.gz RZAWGCSIFOIAHG-CABCVRRESA-N 2 0 281.444 1.804 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)Cc1ccsc1 ZINC001399569356 976573791 /nfs/dbraw/zinc/57/37/91/976573791.db2.gz PDRSMXYISGKOTJ-CYBMUJFWSA-N 2 0 281.425 1.390 10 0 CDAERP CC[C@H](C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001380852766 976577013 /nfs/dbraw/zinc/57/70/13/976577013.db2.gz OFGJSOROVCWUND-KBPBESRZSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@@H](C[N@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)C)OC ZINC001402946083 976609084 /nfs/dbraw/zinc/60/90/84/976609084.db2.gz ZXPBWPMQLYQPPH-CABCVRRESA-N 2 0 299.459 1.286 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+](CC)C[C@H](C)OC)CC[N@@H+]1C ZINC001399712188 976655371 /nfs/dbraw/zinc/65/53/71/976655371.db2.gz MHRLCNLANDZPHV-SOUVJXGZSA-N 2 0 299.459 1.190 10 0 CDAERP COc1ccc(C[NH2+][C@H](C)CNC(=O)CC[NH+](C)C)cc1 ZINC001403045780 976677772 /nfs/dbraw/zinc/67/77/72/976677772.db2.gz LSDWWTUUEDGFMT-CYBMUJFWSA-N 2 0 293.411 1.241 10 0 CDAERP CC(C)(C(=O)NC[C@@H]1CC[N@H+](CCF)C1)[NH+]1CCCC1 ZINC001391095045 976684695 /nfs/dbraw/zinc/68/46/95/976684695.db2.gz HAQIFZMGVDGYPO-ZDUSSCGKSA-N 2 0 285.407 1.268 10 0 CDAERP CCC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C[C@@H](C)CC ZINC001399939919 976760452 /nfs/dbraw/zinc/76/04/52/976760452.db2.gz IWDITOSFGBLRJT-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]C/C=C\Cl)C1 ZINC001403164551 976776595 /nfs/dbraw/zinc/77/65/95/976776595.db2.gz ZGSYMFPGRGCNSQ-WREBYIDWSA-N 2 0 299.846 1.802 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)CCC(F)(F)F ZINC001403199967 976808209 /nfs/dbraw/zinc/80/82/09/976808209.db2.gz LIWCHLRWPJYWQG-MNOVXSKESA-N 2 0 295.349 1.327 10 0 CDAERP CC[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CCC2CC2)C1)[NH+](C)C ZINC001391360203 976836939 /nfs/dbraw/zinc/83/69/39/976836939.db2.gz PRXKSLBYZRDBEG-HOTGVXAUSA-N 2 0 295.471 1.907 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1C[NH+](CCC2CC2)C1 ZINC001391485806 976910996 /nfs/dbraw/zinc/91/09/96/976910996.db2.gz GNSIMNYOYDGFBQ-INIZCTEOSA-N 2 0 293.455 1.709 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CCC(C)([NH2+]CCF)CC2)CC[N@@H+]1C ZINC001408112353 976921896 /nfs/dbraw/zinc/92/18/96/976921896.db2.gz NGLFYNGTNDVNEF-UONOGXRCSA-N 2 0 299.434 1.657 10 0 CDAERP CCC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001403388973 976927893 /nfs/dbraw/zinc/92/78/93/976927893.db2.gz YWGHUCYYDHABKH-CYBMUJFWSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]CC(C)C)C2)CC[N@@H+]1C ZINC001403438721 976955531 /nfs/dbraw/zinc/95/55/31/976955531.db2.gz UUXSLIXBMWVEJI-YHUYYLMFSA-N 2 0 295.471 1.857 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1CCC[N@@H+](C[C@H](CC)OC)C1)[NH+](C)C ZINC001400279368 976963195 /nfs/dbraw/zinc/96/31/95/976963195.db2.gz OQZHONJNVSHFRO-QLFBSQMISA-N 2 0 299.459 1.332 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](CCCC(C)(C)C)C2)C1 ZINC001391595806 976980868 /nfs/dbraw/zinc/98/08/68/976980868.db2.gz NEZUFAZXXWONPA-LSDHHAIUSA-N 2 0 295.471 1.955 10 0 CDAERP CCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@H+](C[C@H](C)OC)C1 ZINC001391653834 977016665 /nfs/dbraw/zinc/01/66/65/977016665.db2.gz DBWJSSJUCPVMAS-GJZGRUSLSA-N 2 0 299.459 1.284 10 0 CDAERP CC1(C)CN(CCF)C[C@@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001381869379 977062775 /nfs/dbraw/zinc/06/27/75/977062775.db2.gz WEAANOIULLLBFA-AWEZNQCLSA-N 2 0 299.434 1.659 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CC3CC3)C[C@@H]2C1 ZINC001381929553 977083339 /nfs/dbraw/zinc/08/33/39/977083339.db2.gz MFZAZQSVWUAUHU-OWCLPIDISA-N 2 0 293.455 1.565 10 0 CDAERP C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)C[NH2+]CC1CC1 ZINC001391902666 977143270 /nfs/dbraw/zinc/14/32/70/977143270.db2.gz SEVKWCQAHYLMFP-AWEZNQCLSA-N 2 0 293.455 1.614 10 0 CDAERP CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CC1CCCC1)[NH+](C)C ZINC001382097756 977163087 /nfs/dbraw/zinc/16/30/87/977163087.db2.gz MMEHSBBBYXWATC-UKRRQHHQSA-N 2 0 283.460 1.953 10 0 CDAERP CC1CC(C[N@H+](C)CCNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001403736055 977167973 /nfs/dbraw/zinc/16/79/73/977167973.db2.gz ORZBYHJDOBWWDW-SHARSMKWSA-N 2 0 281.444 1.422 10 0 CDAERP C[C@H](F)CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCCC1 ZINC001391997150 977178494 /nfs/dbraw/zinc/17/84/94/977178494.db2.gz QTGAGMGEVGPALL-KBPBESRZSA-N 2 0 299.434 1.847 10 0 CDAERP C[C@@H]1[C@H]([NH2+]C/C=C\Cl)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001403776402 977186789 /nfs/dbraw/zinc/18/67/89/977186789.db2.gz VKUHVLKUWSXCIH-WVSGRZRSSA-N 2 0 297.830 1.414 10 0 CDAERP CCCC[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001403790234 977193063 /nfs/dbraw/zinc/19/30/63/977193063.db2.gz JJKJIGFRCZXSEN-ZBFHGGJFSA-N 2 0 281.444 1.851 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]C/C=C/Cl ZINC001400836782 977216319 /nfs/dbraw/zinc/21/63/19/977216319.db2.gz WZVIZQXCSGBKAK-KELULYIISA-N 2 0 287.835 1.708 10 0 CDAERP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cncs1 ZINC001400853198 977225083 /nfs/dbraw/zinc/22/50/83/977225083.db2.gz LUXUPMLACJRPEU-LLVKDONJSA-N 2 0 284.429 1.079 10 0 CDAERP Cc1oncc1C[NH2+][C@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001382314666 977244944 /nfs/dbraw/zinc/24/49/44/977244944.db2.gz MSVCQIZYPLHPHK-FZMZJTMJSA-N 2 0 294.399 1.014 10 0 CDAERP COC[C@H](C)[NH2+][C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC1(C)C ZINC001382391046 977270215 /nfs/dbraw/zinc/27/02/15/977270215.db2.gz VILQNSXFEPOALW-KBPBESRZSA-N 2 0 299.459 1.188 10 0 CDAERP CC(C)[NH2+]C1(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001392932930 977655317 /nfs/dbraw/zinc/65/53/17/977655317.db2.gz OOFFPILWONSRJD-INIZCTEOSA-N 2 0 299.434 1.846 10 0 CDAERP CCC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001394195096 978101355 /nfs/dbraw/zinc/10/13/55/978101355.db2.gz WTDKQGDKMACEQP-HUUCEWRRSA-N 2 0 283.460 1.811 10 0 CDAERP CCC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001394195091 978101765 /nfs/dbraw/zinc/10/17/65/978101765.db2.gz WTDKQGDKMACEQP-GJZGRUSLSA-N 2 0 283.460 1.811 10 0 CDAERP CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@H]2C1 ZINC001394349156 978138196 /nfs/dbraw/zinc/13/81/96/978138196.db2.gz MEDIOLMJOKJHFX-SOUVJXGZSA-N 2 0 281.444 1.565 10 0 CDAERP CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001394438803 978159499 /nfs/dbraw/zinc/15/94/99/978159499.db2.gz QOMKKOORJNOQOF-QEJZJMRPSA-N 2 0 281.444 1.563 10 0 CDAERP C[C@@H](F)CC[NH2+]C1CC(N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001394852846 978283927 /nfs/dbraw/zinc/28/39/27/978283927.db2.gz FTCMMQIEWXKMLR-IYXRBSQSSA-N 2 0 299.434 1.798 10 0 CDAERP CN(C[C@@H]1CC[N@@H+]1CCC1CC1)C(=O)CCC[NH+](C)C ZINC001396994180 978568247 /nfs/dbraw/zinc/56/82/47/978568247.db2.gz HQNMNTVHGAZSSW-HNNXBMFYSA-N 2 0 281.444 1.661 10 0 CDAERP CC[C@@H](C(=O)NC[C@H](C)[N@H+](C)CCC1CC1)[NH+](C)C ZINC001674997518 1174058331 /nfs/dbraw/zinc/05/83/31/1174058331.db2.gz VMLZTLOADXJYFJ-JSGCOSHPSA-N 2 0 269.433 1.563 10 0 CDAERP CCCCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001675467336 1174117220 /nfs/dbraw/zinc/11/72/20/1174117220.db2.gz DUJROBZPHWSXQI-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001676346305 1174211747 /nfs/dbraw/zinc/21/17/47/1174211747.db2.gz DDOXJYGIVGCFBT-KBPBESRZSA-N 2 0 269.433 1.706 10 0 CDAERP CCCC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001671251988 1171214374 /nfs/dbraw/zinc/21/43/74/1171214374.db2.gz QYGCNLRMFHZYKO-HUUCEWRRSA-N 2 0 293.455 1.851 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001656175574 1171784353 /nfs/dbraw/zinc/78/43/53/1171784353.db2.gz CKQSDIIVJJYYAK-KFWWJZLASA-N 2 0 279.428 1.389 10 0 CDAERP C[C@H]1CC[NH2+][C@@H](C(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000126821981 290603115 /nfs/dbraw/zinc/60/31/15/290603115.db2.gz KCMPVJNDTXYRES-DZGCQCFKSA-N 2 0 279.428 1.461 10 0 CDAERP C[NH+](C)CCC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000362761849 282082667 /nfs/dbraw/zinc/08/26/67/282082667.db2.gz CHXXPUJLTYUZFI-UHFFFAOYSA-N 2 0 295.471 1.909 10 0 CDAERP CC(C)C[N@H+](C)CCCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000650740000 398171009 /nfs/dbraw/zinc/17/10/09/398171009.db2.gz DOWGEGXKOLBJIZ-YIONKMFJSA-N 2 0 253.434 1.837 10 0 CDAERP CC(C)C[N@H+](C)CCCN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000650741051 398171590 /nfs/dbraw/zinc/17/15/90/398171590.db2.gz WYCYGLPMZOSIJH-GJZGRUSLSA-N 2 0 255.450 1.942 10 0 CDAERP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000650755357 398180225 /nfs/dbraw/zinc/18/02/25/398180225.db2.gz CPBISOBXNBKGRU-DAXOMENPSA-N 3 0 277.412 1.248 10 0 CDAERP COC(=O)c1coc([C@H](C)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000601325743 342553562 /nfs/dbraw/zinc/55/35/62/342553562.db2.gz NBTZISQCMPYCMG-YFKTTZPYSA-N 2 0 293.367 1.581 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000092629791 342061076 /nfs/dbraw/zinc/06/10/76/342061076.db2.gz BPZYNFNXVUHKHN-KBPBESRZSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)[N@H+](C)CC1CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC000533409205 282118989 /nfs/dbraw/zinc/11/89/89/282118989.db2.gz MHKOUOYNETXKLP-AWEZNQCLSA-N 2 0 267.417 1.317 10 0 CDAERP Cc1cc(N(C)CC2CC[NH+](C[C@@H](C)O)CC2)cc[nH+]1 ZINC000274360193 365635116 /nfs/dbraw/zinc/63/51/16/365635116.db2.gz NBOFCJPJCSUTBP-CQSZACIVSA-N 2 0 277.412 1.919 10 0 CDAERP [NH3+]CCN1CC[NH2+][C@@H](c2nccc3ccccc32)C1 ZINC000616658168 342125300 /nfs/dbraw/zinc/12/53/00/342125300.db2.gz YAFROAFEMPHNAR-CQSZACIVSA-N 2 0 256.353 1.140 10 0 CDAERP CS[C@H]1CC[C@@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000591835216 342648193 /nfs/dbraw/zinc/64/81/93/342648193.db2.gz VWLGDAQDJMKXBV-STQMWFEESA-N 2 0 271.474 1.496 10 0 CDAERP CC(C)[C@H](C(=O)N[C@@H]1CCC[N@H+](C)C1)[NH+]1CCCCC1 ZINC000591871792 342649039 /nfs/dbraw/zinc/64/90/39/342649039.db2.gz QGOLACZUUBSMGV-HUUCEWRRSA-N 2 0 281.444 1.707 10 0 CDAERP CCOC1(C(F)(F)F)CCN(CCC[NH3+])CC1 ZINC000409431098 342168748 /nfs/dbraw/zinc/16/87/48/342168748.db2.gz JJNUMQHKWHEXRE-UHFFFAOYSA-N 2 0 254.296 1.769 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NCc1cnc2cccc(C)n12 ZINC000629388744 361892796 /nfs/dbraw/zinc/89/27/96/361892796.db2.gz PLFQCJDSKIKMPL-UONOGXRCSA-N 2 0 258.369 1.873 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCc1sc(C)nc1C ZINC000422885520 536595188 /nfs/dbraw/zinc/59/51/88/536595188.db2.gz GWTZCJYMDSHGLO-GFCCVEGCSA-N 2 0 271.430 1.646 10 0 CDAERP Cc1cnn(CC[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000652349118 539039246 /nfs/dbraw/zinc/03/92/46/539039246.db2.gz ASKGZEZDUZDDIP-XHSDSOJGSA-N 2 0 292.427 1.410 10 0 CDAERP CC[C@@](C)(C[NH3+])[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000669377023 539072031 /nfs/dbraw/zinc/07/20/31/539072031.db2.gz DNOOZBYDVMAGFX-JKSUJKDBSA-N 2 0 262.397 1.998 10 0 CDAERP CC(C)[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)C1CC1 ZINC000151337317 539073586 /nfs/dbraw/zinc/07/35/86/539073586.db2.gz BZPMDOILBTWXBF-CABCVRRESA-N 2 0 254.418 1.857 10 0 CDAERP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cc(C2CC2)no1 ZINC000660144491 539090599 /nfs/dbraw/zinc/09/05/99/539090599.db2.gz CYNRLYDAIOMSLD-UHFFFAOYSA-N 2 0 292.427 1.621 10 0 CDAERP CCN1CCO[C@H](C[NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000165258193 539126185 /nfs/dbraw/zinc/12/61/85/539126185.db2.gz XKTFXAPJJTWELU-DZGCQCFKSA-N 2 0 269.433 1.027 10 0 CDAERP CC[NH+]1CCC(C[NH2+][C@H](C)[C@H]2C[C@@H]2C(=O)OC)CC1 ZINC000594918996 342986302 /nfs/dbraw/zinc/98/63/02/342986302.db2.gz FNGCHEWBUMRLIC-BNOWGMLFSA-N 2 0 268.401 1.506 10 0 CDAERP CSCCC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595864781 343175964 /nfs/dbraw/zinc/17/59/64/343175964.db2.gz CJSOEZSZUBLWHR-CYBMUJFWSA-N 2 0 258.431 1.271 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)CN2CC(C)(C)C2)CC1 ZINC000565174506 362117721 /nfs/dbraw/zinc/11/77/21/362117721.db2.gz UIEONVSAWORJJL-UHFFFAOYSA-N 2 0 267.417 1.128 10 0 CDAERP CCOC(=O)CC1([NH2+]C[C@H]([NH3+])CC(C)C)CCOCC1 ZINC000596100772 343235894 /nfs/dbraw/zinc/23/58/94/343235894.db2.gz CRIDHOACZFKFKC-CYBMUJFWSA-N 2 0 286.416 1.452 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000629529100 362154738 /nfs/dbraw/zinc/15/47/38/362154738.db2.gz RQXBQAIMKACCAR-AWEZNQCLSA-N 2 0 288.395 1.759 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)c1ccc(OC)cc1C ZINC000629531741 362163564 /nfs/dbraw/zinc/16/35/64/362163564.db2.gz WKOJCPMPEGOMGE-CYBMUJFWSA-N 2 0 266.385 1.890 10 0 CDAERP Cc1nn(C)c(C)c1C[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000335263342 282260631 /nfs/dbraw/zinc/26/06/31/282260631.db2.gz WEQHPAFVKBYQFA-QMTHXVAHSA-N 2 0 250.390 1.454 10 0 CDAERP CS[C@@H]1CC[C@@H]1[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000597181548 343477386 /nfs/dbraw/zinc/47/73/86/343477386.db2.gz AJQIAVQDHQBNHH-MELADBBJSA-N 2 0 273.490 1.742 10 0 CDAERP C[N@@H+]1CC[C@H](NC(=O)NCC(C)(C)[NH3+])[C@H]1c1ccccc1 ZINC000417931735 529805792 /nfs/dbraw/zinc/80/57/92/529805792.db2.gz CGOIKEXXJBVKNU-UONOGXRCSA-N 2 0 290.411 1.468 10 0 CDAERP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000262669300 344697177 /nfs/dbraw/zinc/69/71/77/344697177.db2.gz MFPAQNHHZFBUOL-IHRRRGAJSA-N 2 0 267.417 1.447 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000669514097 482534238 /nfs/dbraw/zinc/53/42/38/482534238.db2.gz QLXRNLSJUHKYOD-WQAKAFBOSA-N 2 0 281.787 1.454 10 0 CDAERP [NH3+]C[C@](O)(C[NH+]1CCC2(CCCC2)CC1)C1CC1 ZINC000085302812 179011305 /nfs/dbraw/zinc/01/13/05/179011305.db2.gz AZKHDKPZYQMLQG-HNNXBMFYSA-N 2 0 252.402 1.742 10 0 CDAERP COCC[N@@H+]1CC[C@@H](N[C@@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623410344 346248967 /nfs/dbraw/zinc/24/89/67/346248967.db2.gz LLYXFUDFZJTEGZ-ZIAGYGMSSA-N 2 0 269.433 1.170 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCC[NH+]2CCC[C@@H]2CO)CC1(C)C ZINC000623412552 346253048 /nfs/dbraw/zinc/25/30/48/346253048.db2.gz PTRBTLDUGLYMFI-JKSUJKDBSA-N 3 0 297.487 1.686 10 0 CDAERP C[N@H+](CCCC[C@](C)(O)C[NH3+])C[C@@H]1CCCCO1 ZINC000085300737 179010165 /nfs/dbraw/zinc/01/01/65/179010165.db2.gz ADHZJUKQZMACFW-KBPBESRZSA-N 2 0 258.406 1.367 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000085363897 179035238 /nfs/dbraw/zinc/03/52/38/179035238.db2.gz MYYOSRQHVSRGCA-ZIAGYGMSSA-N 2 0 267.417 1.493 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@@H](C)[NH+](C3CC3)C2)C1 ZINC000571534010 362673773 /nfs/dbraw/zinc/67/37/73/362673773.db2.gz DNFPIFCXNINRGC-UPJWGTAASA-N 2 0 265.401 1.070 10 0 CDAERP C[C@@H](C(=O)N1CC[C@H]([NH+](C)C)C1)[NH+]1CCCCCC1 ZINC000173977864 295747627 /nfs/dbraw/zinc/74/76/27/295747627.db2.gz DVYIOGSOKMKALJ-KBPBESRZSA-N 2 0 267.417 1.413 10 0 CDAERP CC(C)OC1CC([NH2+]C[C@@H]2CCCCN2CCO)C1 ZINC000449396006 362691150 /nfs/dbraw/zinc/69/11/50/362691150.db2.gz RATDYWPEPCUIRL-SLTAFYQDSA-N 2 0 270.417 1.379 10 0 CDAERP C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000085365680 179036457 /nfs/dbraw/zinc/03/64/57/179036457.db2.gz DPNNVVXVABNMJT-GJZGRUSLSA-N 2 0 291.395 1.693 10 0 CDAERP CCCc1nc2c(n1[C@@H]1CC[N@@H+](C3CC3)C1)CC[NH2+]C2 ZINC000085573022 179098369 /nfs/dbraw/zinc/09/83/69/179098369.db2.gz LOLPCDXFEDWLPR-CYBMUJFWSA-N 2 0 274.412 1.891 10 0 CDAERP C[C@H](Cn1c2c(nc1C(C)(C)C)C[NH2+]CC2)[NH+](C)C ZINC000085573132 179098872 /nfs/dbraw/zinc/09/88/72/179098872.db2.gz UIHSYVWUKHTVMD-LLVKDONJSA-N 2 0 264.417 1.776 10 0 CDAERP CC[NH+](CC)Cc1cccc(CNC(=O)C2C[NH2+]C2)c1 ZINC000263309839 362765706 /nfs/dbraw/zinc/76/57/06/362765706.db2.gz PAEZIEWVJSYBNH-UHFFFAOYSA-N 2 0 275.396 1.364 10 0 CDAERP C[NH2+][C@@H]1CCCN(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)C1 ZINC000417534313 290807932 /nfs/dbraw/zinc/80/79/32/290807932.db2.gz OAKLQXZMGVPOQI-SOUVJXGZSA-N 2 0 296.459 1.643 10 0 CDAERP Cc1n[nH]c(CC[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)n1 ZINC000623480716 347421935 /nfs/dbraw/zinc/42/19/35/347421935.db2.gz FHEMRGYGJAHXOB-LLVKDONJSA-N 2 0 251.378 1.118 10 0 CDAERP CCC[NH+]1CCC(N2CC[NH2+][C@H](C(C)C)C2)CC1 ZINC000086144494 179237484 /nfs/dbraw/zinc/23/74/84/179237484.db2.gz SJMBKVLEHPSVCO-HNNXBMFYSA-N 2 0 253.434 1.791 10 0 CDAERP C[C@@H]1C[NH2+][C@@H](Cc2ccccc2)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086171865 179243827 /nfs/dbraw/zinc/24/38/27/179243827.db2.gz VBUAKXIFDUKDKP-NXHRZFHOSA-N 2 0 287.451 1.843 10 0 CDAERP CC(C)[C@H]1C[N@H+](CC2CC[NH+](C)CC2)[C@@H](C)CN1 ZINC000086173670 179244618 /nfs/dbraw/zinc/24/46/18/179244618.db2.gz KWILERMTNHJCGV-DZGCQCFKSA-N 2 0 253.434 1.647 10 0 CDAERP CC[C@H]1C[NH2+][C@@H](C2CC2)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223125 179251634 /nfs/dbraw/zinc/25/16/34/179251634.db2.gz SEXBZLYCUMSFPK-VHDGCEQUSA-N 2 0 251.418 1.401 10 0 CDAERP CC(C)[C@@H]1C[NH2+]C(C)(C)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086259615 179258406 /nfs/dbraw/zinc/25/84/06/179258406.db2.gz QQOJFXFDUJNQMX-CABCVRRESA-N 2 0 265.445 1.932 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CCO[C@H]2CC2(F)F)CC1(C)C ZINC000623564378 347634777 /nfs/dbraw/zinc/63/47/77/347634777.db2.gz AFDWDAOJHANMRY-MNOVXSKESA-N 2 0 262.344 1.873 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)CC1(C)C ZINC000623516991 347613460 /nfs/dbraw/zinc/61/34/60/347613460.db2.gz NOXKAVNDODHAHF-BFHYXJOUSA-N 2 0 286.460 1.607 10 0 CDAERP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC/C=C\C[NH3+] ZINC000641860087 365944929 /nfs/dbraw/zinc/94/49/29/365944929.db2.gz FKPSEEOCMMHTHF-DSYXLKISSA-N 2 0 268.405 1.017 10 0 CDAERP CCO[C@@H](C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1)C1CC1 ZINC000629536230 362951057 /nfs/dbraw/zinc/95/10/57/362951057.db2.gz GOAGXOACUGNULC-CABCVRRESA-N 2 0 293.415 1.189 10 0 CDAERP [NH3+]CCCOCC[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000629537009 362951882 /nfs/dbraw/zinc/95/18/82/362951882.db2.gz IGRMFOUTRJXDTB-UHFFFAOYSA-N 2 0 284.322 1.177 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000629538813 362955580 /nfs/dbraw/zinc/95/55/80/362955580.db2.gz OQXQOLDYBLGUMP-OAHLLOKOSA-N 2 0 264.369 1.725 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000629539120 362956398 /nfs/dbraw/zinc/95/63/98/362956398.db2.gz OGYSRDCSANRBFZ-CQSZACIVSA-N 2 0 252.333 1.768 10 0 CDAERP CCc1cccnc1[C@H](C)[NH2+]CCOCCC[NH3+] ZINC000629541439 362965288 /nfs/dbraw/zinc/96/52/88/362965288.db2.gz ZUJYJHSKIZZZNK-LBPRGKRZSA-N 2 0 251.374 1.660 10 0 CDAERP C[C@@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629542400 362966294 /nfs/dbraw/zinc/96/62/94/362966294.db2.gz YXHOQZCHCQDBRB-VDERGJSUSA-N 2 0 261.413 1.675 10 0 CDAERP CCn1nccc1CC[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000621774458 350771449 /nfs/dbraw/zinc/77/14/49/350771449.db2.gz VAFQVPKYHWRNRC-OLZOCXBDSA-N 2 0 250.390 1.505 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1c(C)nc2ccccn21 ZINC000629570857 363018538 /nfs/dbraw/zinc/01/85/38/363018538.db2.gz OAFVBJGHMFGZHX-UHFFFAOYSA-N 2 0 276.384 1.311 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000623889930 351321228 /nfs/dbraw/zinc/32/12/28/351321228.db2.gz ZPNWYDXBYAKQGR-ILXRZTDVSA-N 2 0 269.433 1.170 10 0 CDAERP CC(C)N1CCC[C@H]([N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1=O ZINC000629585611 363053850 /nfs/dbraw/zinc/05/38/50/363053850.db2.gz YGLCNUFQWTZARL-CWRNSKLLSA-N 2 0 279.428 1.317 10 0 CDAERP C/C=C\C[C@@H]1CCC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000629595829 363095701 /nfs/dbraw/zinc/09/57/01/363095701.db2.gz YGFBKFPXSRFZRU-MPNWYJEXSA-N 2 0 251.418 1.570 10 0 CDAERP COC[C@]1(C)C[N@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000629594345 363114265 /nfs/dbraw/zinc/11/42/65/363114265.db2.gz AKVBFVQWLHSHCC-KBPBESRZSA-N 2 0 256.390 1.113 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H](CO)C1CCCCC1 ZINC000395317119 323849117 /nfs/dbraw/zinc/84/91/17/323849117.db2.gz JQEUZEVPSZPEAJ-KGLIPLIRSA-N 2 0 258.406 1.271 10 0 CDAERP C[C@H](C[NH+]1CC[C@@H](CO)[C@@H]1C)C[N@@H+]1CC[C@H](CO)[C@@H]1C ZINC000488738907 366105258 /nfs/dbraw/zinc/10/52/58/366105258.db2.gz VFPMNBRSNPRQCA-GVRJEKJASA-N 2 0 284.444 1.028 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000659623117 482712423 /nfs/dbraw/zinc/71/24/23/482712423.db2.gz BHXGACGHSAHOAK-UONOGXRCSA-N 2 0 282.432 1.240 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000233034302 140225674 /nfs/dbraw/zinc/22/56/74/140225674.db2.gz DEOADCRMVSGVCJ-STQMWFEESA-N 2 0 255.406 1.223 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCN2CCSCC2)[C@H]2CCC[C@@H]21 ZINC000353519016 283136499 /nfs/dbraw/zinc/13/64/99/283136499.db2.gz LWLUYUGYGPHGMR-ILXRZTDVSA-N 2 0 283.485 1.498 10 0 CDAERP CC(C)[C@H](C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C)[C@@H](C)[NH3+] ZINC000399731869 356019131 /nfs/dbraw/zinc/01/91/31/356019131.db2.gz MDKQDKCSJZPATD-KBXIAJHMSA-N 2 0 281.444 1.691 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCOC1CCCCC1 ZINC000234784779 140232182 /nfs/dbraw/zinc/23/21/82/140232182.db2.gz NVRRAJUOACSFGN-ZDUSSCGKSA-N 2 0 258.406 1.679 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000417824052 283171193 /nfs/dbraw/zinc/17/11/93/283171193.db2.gz ZIHYHRHQLNWVHV-QWHCGFSZSA-N 2 0 270.421 1.016 10 0 CDAERP CC[N@@H+]1CC[C@H](C[NH2+]C2CCN(c3ccccn3)CC2)C1 ZINC000037644403 356510795 /nfs/dbraw/zinc/51/07/95/356510795.db2.gz SILNZYYCDSTNDV-OAHLLOKOSA-N 2 0 288.439 1.982 10 0 CDAERP c1cn(-c2ccc(Cn3cc(C[NH2+]C4CC4)nn3)cc2)cn1 ZINC000316730256 363555894 /nfs/dbraw/zinc/55/58/94/363555894.db2.gz FNEBSTXNVICVRV-UHFFFAOYSA-N 2 0 294.362 1.764 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2(C(N)=O)CCCC2)[C@H]2CCC[C@@H]21 ZINC000565552705 357154210 /nfs/dbraw/zinc/15/42/10/357154210.db2.gz DDTWAQWNBFSZQP-RDBSUJKOSA-N 2 0 279.428 1.495 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)CN(C)Cc2ccccc2)C1 ZINC000107886983 357370990 /nfs/dbraw/zinc/37/09/90/357370990.db2.gz AKLFLLURBPPSSO-MRXNPFEDSA-N 2 0 289.423 1.576 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)C[C@](C)(O)C2CC2)C1 ZINC000634707954 357388322 /nfs/dbraw/zinc/38/83/22/357388322.db2.gz NZDBLFIHIOXNKA-PVAVHDDUSA-N 2 0 298.471 1.466 10 0 CDAERP CNC(=O)C(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000368620285 283280412 /nfs/dbraw/zinc/28/04/12/283280412.db2.gz XWBQIJJWSGFZKF-XQQFMLRXSA-N 2 0 267.417 1.221 10 0 CDAERP CCC[NH+]1CCC(N2C[C@@H](C)[C@](C)(C[NH3+])C2)CC1 ZINC000310924444 283319257 /nfs/dbraw/zinc/31/92/57/283319257.db2.gz RSHRGJOCAKSRNR-UKRRQHHQSA-N 2 0 253.434 1.778 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@@H]1C[C@H]3CCCC[C@@H]3[NH2+]1)C2 ZINC000634750346 358235120 /nfs/dbraw/zinc/23/51/20/358235120.db2.gz UWVNKKZOJOUPAC-PYOKUCOHSA-N 2 0 291.439 1.365 10 0 CDAERP CCC[NH+]1CCC([NH2+]CC[C@@](C)(O)COC)CC1 ZINC000449384898 358515851 /nfs/dbraw/zinc/51/58/51/358515851.db2.gz OTDHJFYBEGWYOD-CQSZACIVSA-N 2 0 258.406 1.238 10 0 CDAERP C[NH+](C)CC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000616569916 358610211 /nfs/dbraw/zinc/61/02/11/358610211.db2.gz KZHNDVXOGQASIN-KBPBESRZSA-N 2 0 279.359 1.031 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1O ZINC000095088492 358677756 /nfs/dbraw/zinc/67/77/56/358677756.db2.gz ZQCIHPIKRMDYAJ-CVEARBPZSA-N 2 0 262.397 1.867 10 0 CDAERP C[C@H]([NH3+])CCC(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000251804412 140312164 /nfs/dbraw/zinc/31/21/64/140312164.db2.gz MCFNODFSRGGEOM-KCQAQPDRSA-N 2 0 269.433 1.741 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)c1ccccc1CC[NH3+] ZINC000070542135 358965372 /nfs/dbraw/zinc/96/53/72/358965372.db2.gz LCEXABYEESUYCS-GFCCVEGCSA-N 2 0 263.385 1.258 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)c2ccccc2CC[NH3+])CC1 ZINC000070552352 358969365 /nfs/dbraw/zinc/96/93/65/358969365.db2.gz XREBPIOEFXFMOL-UHFFFAOYSA-N 2 0 289.423 1.602 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)CC[C@@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000261875355 359073593 /nfs/dbraw/zinc/07/35/93/359073593.db2.gz RDJBITKMESKNPA-MGPQQGTHSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@]1(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)CC[NH2+]C1 ZINC000261887110 359077379 /nfs/dbraw/zinc/07/73/79/359077379.db2.gz SCRQTPNNFYIXSG-CABCVRRESA-N 2 0 261.369 1.534 10 0 CDAERP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000262535700 359176907 /nfs/dbraw/zinc/17/69/07/359176907.db2.gz JRNHFVNGLWHIQF-CFVMTHIKSA-N 2 0 281.444 1.550 10 0 CDAERP CCCC[N@H+](C)CC1CC[NH+](C[C@](C)(O)C(C)=O)CC1 ZINC000347746827 359607782 /nfs/dbraw/zinc/60/77/82/359607782.db2.gz XFBRHHDSSJPYSM-INIZCTEOSA-N 2 0 284.444 1.770 10 0 CDAERP C[C@H]1C[C@@H](NCCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000379644351 359635681 /nfs/dbraw/zinc/63/56/81/359635681.db2.gz CCNVCCKBKFVEPJ-HOCLYGCPSA-N 2 0 261.413 1.978 10 0 CDAERP C[C@H]([NH2+][C@H](CCO)C1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000423001938 359710091 /nfs/dbraw/zinc/71/00/91/359710091.db2.gz FIZKXQUAFHTCSW-NWANDNLSSA-N 2 0 254.418 1.905 10 0 CDAERP COC[C@H]([NH2+][C@@H](C)C[C@H]1COCCN1)c1ccccc1 ZINC000422958151 359717063 /nfs/dbraw/zinc/71/70/63/359717063.db2.gz WVHNCGWVUOGUCL-BPUTZDHNSA-N 2 0 278.396 1.731 10 0 CDAERP COc1cccc(CC[NH2+][C@@H]2CCCCC[C@H]2[NH3+])n1 ZINC000423006360 359735953 /nfs/dbraw/zinc/73/59/53/359735953.db2.gz OIRTZMZCTOLOLP-ZIAGYGMSSA-N 2 0 263.385 1.882 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCCc2nc(C)no2)[C@@H](C)C1 ZINC000336821702 359880240 /nfs/dbraw/zinc/88/02/40/359880240.db2.gz IXYUODMIDXMUAO-GXTWGEPZSA-N 2 0 280.416 1.973 10 0 CDAERP C[NH2+]CCC1CCN(C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000333639570 283507097 /nfs/dbraw/zinc/50/70/97/283507097.db2.gz HXLULPLPUXGQPF-CQSZACIVSA-N 2 0 282.432 1.160 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C)[C@@H](C)[C@H]1C ZINC000356904597 366624188 /nfs/dbraw/zinc/62/41/88/366624188.db2.gz QRFGDDNUFKJLRW-BFHYXJOUSA-N 2 0 267.417 1.412 10 0 CDAERP [NH3+][C@H]1CC[C@H](C(=O)N2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000237889345 360155972 /nfs/dbraw/zinc/15/59/72/360155972.db2.gz NQFLUBQQHMXQQM-HOTGVXAUSA-N 2 0 293.455 1.838 10 0 CDAERP [NH3+][C@H]1CC[C@H](C(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000237938626 360177700 /nfs/dbraw/zinc/17/77/00/360177700.db2.gz UQNKOTBWAWKXDK-GJZGRUSLSA-N 2 0 281.444 1.886 10 0 CDAERP C[C@H]1CC2(C[N@@H+]1C[C@]1(C)CC[NH2+]C1)CC[NH2+]CC2 ZINC000335545184 360360113 /nfs/dbraw/zinc/36/01/13/360360113.db2.gz XSQMYINFCVONPP-UONOGXRCSA-N 3 0 251.418 1.450 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000626935145 360653982 /nfs/dbraw/zinc/65/39/82/360653982.db2.gz YBZONIJESDDOLR-RDBSUJKOSA-N 2 0 282.432 1.301 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000418735336 296022159 /nfs/dbraw/zinc/02/21/59/296022159.db2.gz XCUJNPAZIMCCOB-VXGBXAGGSA-N 2 0 270.421 1.143 10 0 CDAERP C[C@@H](CC[NH+](C)C)NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000431847029 361058380 /nfs/dbraw/zinc/05/83/80/361058380.db2.gz UTDXETDBLUSUSS-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP CN(C(=O)CCC(C)(C)[NH3+])[C@H]1C[NH+]2CCC1CC2 ZINC000311121095 361207535 /nfs/dbraw/zinc/20/75/35/361207535.db2.gz XPXNQOPWEMKMPS-LBPRGKRZSA-N 2 0 253.390 1.057 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CC[C@@H]2CCNC2=O)[C@H](C)C1 ZINC000519419249 361305213 /nfs/dbraw/zinc/30/52/13/361305213.db2.gz MNUCOTJJFNJNKR-RDBSUJKOSA-N 2 0 267.417 1.175 10 0 CDAERP C[C@@H](CC(=O)N1CCC(c2c[nH]cn2)CC1)n1ccnc1 ZINC000519602692 361374308 /nfs/dbraw/zinc/37/43/08/361374308.db2.gz HOKDESJRBQELBZ-LBPRGKRZSA-N 2 0 287.367 1.964 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCC[NH+]2CCCC2(C)C)CC[N@@H+]1C ZINC000457048182 363881572 /nfs/dbraw/zinc/88/15/72/363881572.db2.gz DOUSLFKSLONWSR-KBPBESRZSA-N 2 0 281.444 1.707 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000580384127 363985384 /nfs/dbraw/zinc/98/53/84/363985384.db2.gz FJLDSNIFGBLBOA-ILXRZTDVSA-N 2 0 283.460 1.953 10 0 CDAERP Cc1noc(CCC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)n1 ZINC000353388354 364170846 /nfs/dbraw/zinc/17/08/46/364170846.db2.gz QIHHCAOYARHLJZ-MJBXVCDLSA-N 2 0 278.400 1.773 10 0 CDAERP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000459661764 364264625 /nfs/dbraw/zinc/26/46/25/364264625.db2.gz RQAGCYADAKEMPR-LRDDRELGSA-N 3 0 270.380 1.907 10 0 CDAERP Cc1nc(F)ccc1C[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000278353694 366836716 /nfs/dbraw/zinc/83/67/16/366836716.db2.gz IBQXAMIWWVXOMK-CYBMUJFWSA-N 2 0 294.418 1.502 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)c2coc(C[NH3+])c2)[C@@H](C)C1 ZINC000249070098 364472013 /nfs/dbraw/zinc/47/20/13/364472013.db2.gz KOFXVYMBUIRBFA-SMDDNHRTSA-N 2 0 279.384 1.541 10 0 CDAERP C[NH+](C)CCOc1ccccc1C(=O)N1CC([NH+](C)C)C1 ZINC000270722283 364721746 /nfs/dbraw/zinc/72/17/46/364721746.db2.gz BZAJHQDNCUBZCE-UHFFFAOYSA-N 2 0 291.395 1.013 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N[C@@H]2CC[NH2+][C@H]2CC)CC1 ZINC000626960154 366911416 /nfs/dbraw/zinc/91/14/16/366911416.db2.gz MUBSMXAVWGEQRJ-LSDHHAIUSA-N 2 0 296.459 1.548 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000357398415 366973586 /nfs/dbraw/zinc/97/35/86/366973586.db2.gz YGOBLNVPVAGHGD-BFHYXJOUSA-N 2 0 267.417 1.460 10 0 CDAERP C[C@@H](NC(=O)N[C@@H]1CC[NH2+][C@H]1C)C(C)(C)C[NH+](C)C ZINC000626997021 367217910 /nfs/dbraw/zinc/21/79/10/367217910.db2.gz LQFYFAARUKSWSW-QJPTWQEYSA-N 2 0 270.421 1.012 10 0 CDAERP CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000626998432 367218662 /nfs/dbraw/zinc/21/86/62/367218662.db2.gz MYNHNDBZLWDQKQ-HZSPNIEDSA-N 2 0 282.432 1.301 10 0 CDAERP C[C@]1(CN2CC[NH+](C3CCCC3)CC2)CC[NH2+]C1 ZINC000062912371 291380810 /nfs/dbraw/zinc/38/08/10/291380810.db2.gz IHUFSGZLKWBQBB-HNNXBMFYSA-N 2 0 251.418 1.546 10 0 CDAERP C[C@H]1CC[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[NH2+]1 ZINC000627053199 367310664 /nfs/dbraw/zinc/31/06/64/367310664.db2.gz ZGJKRHUOEZRYPV-PJIALRRASA-N 2 0 280.416 1.051 10 0 CDAERP C[C@H]1CC[C@H](NC(=O)NC2CC[NH+](C3CCC3)CC2)C[NH2+]1 ZINC000627054796 367311552 /nfs/dbraw/zinc/31/15/52/367311552.db2.gz JERHXBNURWRBBD-JSGCOSHPSA-N 2 0 294.443 1.443 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]CCc2cnc(C3CC3)nc2)CC[N@@H+]1C ZINC000358229401 367526999 /nfs/dbraw/zinc/52/69/99/367526999.db2.gz QKTCEFSVPOCPEA-WFASDCNBSA-N 2 0 274.412 1.969 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]CCN2CC=C(C)CC2)[C@@H](C)C1 ZINC000358214935 367516055 /nfs/dbraw/zinc/51/60/55/367516055.db2.gz BKBGIFFWLPIVOP-HOTGVXAUSA-N 2 0 265.445 1.958 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000417005492 242261510 /nfs/dbraw/zinc/26/15/10/242261510.db2.gz ITLXEMQXXMRCKX-HIFRSBDPSA-N 2 0 292.427 1.716 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000417008240 242265414 /nfs/dbraw/zinc/26/54/14/242265414.db2.gz LWAMTHVMICRUEJ-TZMCWYRMSA-N 2 0 270.421 1.097 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000417009989 242266694 /nfs/dbraw/zinc/26/66/94/242266694.db2.gz OGEDQHROPVWGIQ-LXTVHRRPSA-N 2 0 296.459 1.404 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)N(C)CC2([NH+](C)C)CCC2)C[NH2+]1 ZINC000627204735 367700153 /nfs/dbraw/zinc/70/01/53/367700153.db2.gz ZZPGBMNEFOHRHN-CHWSQXEVSA-N 2 0 282.432 1.253 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627205823 367702798 /nfs/dbraw/zinc/70/27/98/367702798.db2.gz DVCRSSJIMSZOGB-MELADBBJSA-N 2 0 282.432 1.253 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)C[NH2+]1 ZINC000627208674 367706136 /nfs/dbraw/zinc/70/61/36/367706136.db2.gz BLLKSOSMQMPNFE-YUELXQCFSA-N 2 0 294.443 1.158 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C[NH2+]1 ZINC000627196272 367681471 /nfs/dbraw/zinc/68/14/71/367681471.db2.gz RMIAYTCWAGSVMF-ILXRZTDVSA-N 2 0 294.443 1.397 10 0 CDAERP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)C[C@H]1C ZINC000627203417 367697727 /nfs/dbraw/zinc/69/77/27/367697727.db2.gz WLYZKWMAYCJIHQ-RFQIPJPRSA-N 2 0 282.432 1.251 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000627226877 367773834 /nfs/dbraw/zinc/77/38/34/367773834.db2.gz UFVBOCUOSFQGPH-KKUMJFAQSA-N 2 0 294.443 1.112 10 0 CDAERP CC(C)C[C@@H](CNC(=O)C1=CC[C@H]([NH3+])C1)[NH+](C)C ZINC000638058988 367892650 /nfs/dbraw/zinc/89/26/50/367892650.db2.gz DEPCKVLDRSYFKG-STQMWFEESA-N 2 0 253.390 1.126 10 0 CDAERP [NH3+]C1(CNC(=O)NC[C@@H]2CCC[NH2+]C2)CCCCCC1 ZINC000418281927 242889753 /nfs/dbraw/zinc/88/97/53/242889753.db2.gz FTDGVTPXHHBUDC-CYBMUJFWSA-N 2 0 282.432 1.337 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000418565063 243218043 /nfs/dbraw/zinc/21/80/43/243218043.db2.gz XTLPLKMAMAKJQC-UKRRQHHQSA-N 2 0 296.459 1.500 10 0 CDAERP C(C[C@@H]1CCO1)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000638114134 368465279 /nfs/dbraw/zinc/46/52/79/368465279.db2.gz XRLDQDXIFPWNFG-HUUCEWRRSA-N 2 0 252.402 1.973 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)CC[NH3+])[C@@H](C)C1 ZINC000418567382 243219949 /nfs/dbraw/zinc/21/99/49/243219949.db2.gz WRODLQIXRZHPRN-XQQFMLRXSA-N 2 0 270.421 1.095 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000418621330 243285102 /nfs/dbraw/zinc/28/51/02/243285102.db2.gz SADUTWVBKFVRHW-UKRRQHHQSA-N 2 0 296.459 1.500 10 0 CDAERP CN(CC[NH+]1CCCC1)C(=O)CCN(C)c1cc[nH+]cc1 ZINC000543713408 368956750 /nfs/dbraw/zinc/95/67/50/368956750.db2.gz DGHYDDPBSKAYOT-UHFFFAOYSA-N 2 0 290.411 1.462 10 0 CDAERP CCn1nc2c(cc1=O)CN(CC[C@@H]1CCC[N@@H+]1C)CC2 ZINC000361764918 369029880 /nfs/dbraw/zinc/02/98/80/369029880.db2.gz BRUIYOFDESKSGK-AWEZNQCLSA-N 2 0 290.411 1.106 10 0 CDAERP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC1=O ZINC000577214635 317286969 /nfs/dbraw/zinc/28/69/69/317286969.db2.gz TVMUTQNPVSJQJK-POQQGIQPSA-N 2 0 265.401 1.103 10 0 CDAERP C[N@H+](CC[C@@H]1CCC[NH2+]C1)CC(=O)NC(C)(C)C ZINC000420296411 244041835 /nfs/dbraw/zinc/04/18/35/244041835.db2.gz BWGYBAWKPUXTJC-LBPRGKRZSA-N 2 0 255.406 1.223 10 0 CDAERP O=C([C@@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1)N1CCCC1 ZINC000420303469 244051033 /nfs/dbraw/zinc/05/10/33/244051033.db2.gz NLSGOAGOJKQRHT-LSDHHAIUSA-N 2 0 279.428 1.320 10 0 CDAERP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1ccnc(C[NH3+])c1 ZINC000252505557 370205491 /nfs/dbraw/zinc/20/54/91/370205491.db2.gz UPTDORCJQYJOBY-WFASDCNBSA-N 2 0 288.395 1.239 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000418197016 370278766 /nfs/dbraw/zinc/27/87/66/370278766.db2.gz IPXAFBGCLVRUCL-ZFWWWQNUSA-N 2 0 296.459 1.643 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2(CO)CCC2)[C@@H]2CCC[C@@H]21 ZINC000375898716 371022348 /nfs/dbraw/zinc/02/23/48/371022348.db2.gz WNZGRYKXZBFIGF-IHRRRGAJSA-N 2 0 252.402 1.611 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000422767370 245233757 /nfs/dbraw/zinc/23/37/57/245233757.db2.gz QYGDWHBTMMOWMM-HNNXBMFYSA-N 2 0 288.395 1.716 10 0 CDAERP CC[NH+]1CCC(CC[NH2+][C@H](C)C[C@H]2COCCN2)CC1 ZINC000422781367 245249854 /nfs/dbraw/zinc/24/98/54/245249854.db2.gz IQKYKKRQLJYVSL-ZBFHGGJFSA-N 2 0 283.460 1.465 10 0 CDAERP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH+]2CCC1CC2 ZINC000567822819 371159962 /nfs/dbraw/zinc/15/99/62/371159962.db2.gz XFIMIRXGWJQOHV-AGUYFDCRSA-N 2 0 277.412 1.214 10 0 CDAERP Cc1ccsc1[C@H](CO)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000573020371 371379900 /nfs/dbraw/zinc/37/99/00/371379900.db2.gz IPJZNQCVCWGSDX-TUAOUCFPSA-N 2 0 254.399 1.949 10 0 CDAERP CCCCNC(=O)CC[N@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000123407073 371455170 /nfs/dbraw/zinc/45/51/70/371455170.db2.gz NEYBOXSODLIQQV-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP C[NH+](C)Cc1cc(C[NH2+]CC2(O)CCC2)ccc1F ZINC000575117039 371746389 /nfs/dbraw/zinc/74/63/89/371746389.db2.gz XMGGXCSLXGOZJD-UHFFFAOYSA-N 2 0 266.360 1.892 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171038344 372164031 /nfs/dbraw/zinc/16/40/31/372164031.db2.gz AXXNTSLYWLAWQD-CABCVRRESA-N 2 0 296.459 1.596 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000173832018 372539968 /nfs/dbraw/zinc/53/99/68/372539968.db2.gz OVUOTJZBZGRFAM-KGLIPLIRSA-N 2 0 284.448 1.500 10 0 CDAERP c1[nH]nc2c1[C@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000367620746 372650586 /nfs/dbraw/zinc/65/05/86/372650586.db2.gz RFIBFCZWLJKCBB-BXUZGUMPSA-N 2 0 260.385 1.861 10 0 CDAERP C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3ccc4c[nH+]cn4c3)C[C@@H]21 ZINC000333074342 205010352 /nfs/dbraw/zinc/01/03/52/205010352.db2.gz AWOPZCRCTQDWPY-HIFRSBDPSA-N 2 0 299.378 1.180 10 0 CDAERP [NH3+]C[C@@H](NC(=O)N1CCC2(CC[NH2+]2)CC1)C1CCCCC1 ZINC000333252254 205154144 /nfs/dbraw/zinc/15/41/44/205154144.db2.gz HBEFUEMHZHXPME-CQSZACIVSA-N 2 0 294.443 1.432 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000333303336 205200722 /nfs/dbraw/zinc/20/07/22/205200722.db2.gz JEMVQBOMNKWZJQ-RRFJBIMHSA-N 2 0 296.459 1.404 10 0 CDAERP CN(C(=O)C1([NH3+])CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381821702 372999897 /nfs/dbraw/zinc/99/98/97/372999897.db2.gz FRCKUXUSGSHKGL-CQSZACIVSA-N 2 0 273.380 1.211 10 0 CDAERP C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1cc2c(s1)CCC2 ZINC000423206317 245666737 /nfs/dbraw/zinc/66/67/37/245666737.db2.gz QJFLQJXIUYBQCS-LBPRGKRZSA-N 2 0 279.453 1.793 10 0 CDAERP CC[NH+](CC)[C@@H](C)CNC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000185138390 373065281 /nfs/dbraw/zinc/06/52/81/373065281.db2.gz MNEKOAHLHBXPNN-ZDUSSCGKSA-N 2 0 284.448 1.452 10 0 CDAERP CC[NH+](CC)C[C@H](O)CN1CCC[C@@H](c2ccnn2C)C1 ZINC000229748782 373210341 /nfs/dbraw/zinc/21/03/41/373210341.db2.gz VHTQDULUWSOZAR-CABCVRRESA-N 2 0 294.443 1.302 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)c2ccc3c(c2)CC[NH2+]CC3)C1 ZINC000645685036 373236949 /nfs/dbraw/zinc/23/69/49/373236949.db2.gz REHCCKFCBHAGFL-INIZCTEOSA-N 2 0 287.407 1.199 10 0 CDAERP CC[N@H+](CCNC(=O)c1ccccc1CC[NH3+])C1CC1 ZINC000219920190 373860097 /nfs/dbraw/zinc/86/00/97/373860097.db2.gz OAJNULINCSAQBW-UHFFFAOYSA-N 2 0 275.396 1.402 10 0 CDAERP CCn1ccnc1CN1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000106383621 374434005 /nfs/dbraw/zinc/43/40/05/374434005.db2.gz QRKQDZBIEOFDAZ-CQSZACIVSA-N 2 0 292.427 1.588 10 0 CDAERP CC[NH2+][C@H](C)CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000418591720 374424877 /nfs/dbraw/zinc/42/48/77/374424877.db2.gz NULZXHFTLUMCEC-KFWWJZLASA-N 2 0 296.459 1.641 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)CN1CC[C@@H](C(F)F)C1 ZINC000660148233 412822505 /nfs/dbraw/zinc/82/25/05/412822505.db2.gz TXLZEWPZMHNSEM-MNOVXSKESA-N 2 0 250.333 1.275 10 0 CDAERP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000573905349 294907906 /nfs/dbraw/zinc/90/79/06/294907906.db2.gz KUOHZAIKPYXVAG-CJNGLKHVSA-N 2 0 281.444 1.613 10 0 CDAERP COc1cncc(C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)c1C ZINC000631065769 374872341 /nfs/dbraw/zinc/87/23/41/374872341.db2.gz SRASLKFJDYQVQE-CYBMUJFWSA-N 2 0 292.427 1.124 10 0 CDAERP O[C@@H](Cn1cccn1)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000051907934 375589785 /nfs/dbraw/zinc/58/97/85/375589785.db2.gz UHYGWASFAHMSBE-MRXNPFEDSA-N 2 0 292.427 1.052 10 0 CDAERP CC(C)[C@@H]1CCN(Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000135297507 375690669 /nfs/dbraw/zinc/69/06/69/375690669.db2.gz NFBJCTCKKRPFJO-SNVBAGLBSA-N 2 0 252.362 1.741 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N2CC[C@H](C[NH3+])C2)CC1 ZINC000417373469 376008736 /nfs/dbraw/zinc/00/87/36/376008736.db2.gz AWRRSNXZYUJXEZ-CQSZACIVSA-N 2 0 282.432 1.099 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)C2([NH3+])CCC2)CC1 ZINC000638981330 376339679 /nfs/dbraw/zinc/33/96/79/376339679.db2.gz RCNMBEVDJWIYLF-UHFFFAOYSA-N 2 0 253.390 1.201 10 0 CDAERP CC[C@@H](C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000068450698 376709930 /nfs/dbraw/zinc/70/99/30/376709930.db2.gz MALSHGRLVUVCJP-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)C2([NH3+])Cc3ccccc3C2)C1 ZINC000165941036 376753514 /nfs/dbraw/zinc/75/35/14/376753514.db2.gz USVLOVLWRHSCAA-HNNXBMFYSA-N 2 0 287.407 1.083 10 0 CDAERP Cn1cncc1CCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631889010 376781684 /nfs/dbraw/zinc/78/16/84/376781684.db2.gz BKNHBMIDGKQXTO-HIFRSBDPSA-N 2 0 262.401 1.427 10 0 CDAERP CC[N@H+](C)C[C@H]1CCN(CC(=O)NC(C)(C)C)C1 ZINC000072857776 376810922 /nfs/dbraw/zinc/81/09/22/376810922.db2.gz PJHBCDHAWFJRMJ-GFCCVEGCSA-N 2 0 255.406 1.175 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000171897778 377153741 /nfs/dbraw/zinc/15/37/41/377153741.db2.gz DRZGSFUIWUMYPG-OAHLLOKOSA-N 2 0 294.443 1.349 10 0 CDAERP Cc1ccccc1[C@@H]([NH3+])C(=O)N1CCC([NH+](C)C)CC1 ZINC000334652245 377216925 /nfs/dbraw/zinc/21/69/25/377216925.db2.gz CUVAMYHGHOSTMT-OAHLLOKOSA-N 2 0 275.396 1.547 10 0 CDAERP CC[N@H+](CCNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)C(C)C ZINC000417465293 377332792 /nfs/dbraw/zinc/33/27/92/377332792.db2.gz SFIBOBSHGAIZSM-INIZCTEOSA-N 2 0 296.459 1.502 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC(C)C ZINC001662234015 1172513320 /nfs/dbraw/zinc/51/33/20/1172513320.db2.gz GFDHKBJESLTAQB-KBPBESRZSA-N 2 0 269.433 1.611 10 0 CDAERP C[NH+](C)Cc1cccc(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000334853551 377625302 /nfs/dbraw/zinc/62/53/02/377625302.db2.gz XOQWGEVIFMORME-CVEARBPZSA-N 2 0 287.407 1.572 10 0 CDAERP C[C@H](CC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000571999558 377648678 /nfs/dbraw/zinc/64/86/78/377648678.db2.gz JCCLNLDRMMEKJI-XJFOESAGSA-N 2 0 267.417 1.126 10 0 CDAERP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000131762322 377714818 /nfs/dbraw/zinc/71/48/18/377714818.db2.gz SZXGXUGDIWBJDV-CRWXNKLISA-N 2 0 265.401 1.118 10 0 CDAERP C[C@H]1C[C@H](N(C)C(=O)NCC2(C)CC[NH2+]CC2)CC[N@@H+]1C ZINC000334936376 377706044 /nfs/dbraw/zinc/70/60/44/377706044.db2.gz VILYOBLCZZYPGL-UONOGXRCSA-N 2 0 296.459 1.500 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000417527616 377838217 /nfs/dbraw/zinc/83/82/17/377838217.db2.gz DONGZRBQDQRPKT-SCRDCRAPSA-N 2 0 282.432 1.286 10 0 CDAERP Cc1nccn1C[C@H]1CCC[N@@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000261703576 377891828 /nfs/dbraw/zinc/89/18/28/377891828.db2.gz CSIPITANKVNFPA-HUUCEWRRSA-N 2 0 262.401 1.656 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000633082469 378107309 /nfs/dbraw/zinc/10/73/09/378107309.db2.gz PZYUPFPRHWFAIA-CQSZACIVSA-N 2 0 296.459 1.596 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000193299541 378286530 /nfs/dbraw/zinc/28/65/30/378286530.db2.gz XKIFBOLVNIOIOP-ZIAGYGMSSA-N 2 0 269.433 1.742 10 0 CDAERP CC[C@@H]1CN(C(=O)NCC2([NH3+])CCCCCC2)CC[C@@H]1[NH3+] ZINC000634047468 378986731 /nfs/dbraw/zinc/98/67/31/378986731.db2.gz KWHQVJMJFAMMIW-KGLIPLIRSA-N 2 0 296.459 1.807 10 0 CDAERP CCN(C(=O)N[C@H](C)C[NH+](CC)CC)[C@H]1CC[N@H+](CC)C1 ZINC000663830780 412899506 /nfs/dbraw/zinc/89/95/06/412899506.db2.gz NYDZMYBJXISJPZ-CABCVRRESA-N 2 0 298.475 1.842 10 0 CDAERP CN(CCC[N@H+](C)C[C@@H](O)C(C)(C)C)CC[NH+](C)C ZINC000344043195 379079940 /nfs/dbraw/zinc/07/99/40/379079940.db2.gz WUZPWEURIPQOQC-CQSZACIVSA-N 2 0 273.465 1.209 10 0 CDAERP Cc1ccoc1C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000657574221 412906691 /nfs/dbraw/zinc/90/66/91/412906691.db2.gz UGUGNCQTAZEGOZ-AWEZNQCLSA-N 2 0 267.417 1.950 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000344175189 379293880 /nfs/dbraw/zinc/29/38/80/379293880.db2.gz HQKKVHFZSFWJCS-AGIUHOORSA-N 2 0 255.406 1.173 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@H]2CN(C)C[C@H]2C)CC1 ZINC000344204551 379253810 /nfs/dbraw/zinc/25/38/10/379253810.db2.gz ADIXAZXRSZJZDF-HIFRSBDPSA-N 3 0 253.434 1.648 10 0 CDAERP CC(C)C[C@H]([NH3+])C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000634301066 379359215 /nfs/dbraw/zinc/35/92/15/379359215.db2.gz VTZGZSGCFRAISV-QWHCGFSZSA-N 2 0 255.406 1.158 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000247168097 284805527 /nfs/dbraw/zinc/80/55/27/284805527.db2.gz VEBPBFTTYRXSBO-RBSFLKMASA-N 2 0 298.475 1.889 10 0 CDAERP CC[NH+](CC)C[C@H]1CC[N@H+](CC2(C(=O)OC)CC2)C1 ZINC000450449118 251288923 /nfs/dbraw/zinc/28/89/23/251288923.db2.gz DVYUKYCAPGFXGK-CYBMUJFWSA-N 2 0 268.401 1.603 10 0 CDAERP CCn1ccnc1CNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000452570119 252097284 /nfs/dbraw/zinc/09/72/84/252097284.db2.gz IYRCLVCCYZPCJZ-ZDUSSCGKSA-N 2 0 278.400 1.784 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000041680073 184550651 /nfs/dbraw/zinc/55/06/51/184550651.db2.gz SDPBUOCWROHAAL-CBBWQLFWSA-N 2 0 281.444 1.754 10 0 CDAERP CC[NH+]1CCC(N[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000353448679 285191562 /nfs/dbraw/zinc/19/15/62/285191562.db2.gz OAFNJOKXQFOWCM-XHSDSOJGSA-N 2 0 265.445 1.933 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1C[C@H](O)C1 ZINC000657809686 413039986 /nfs/dbraw/zinc/03/99/86/413039986.db2.gz OEEIXJKGKCXXAY-MQMHXKEQSA-N 2 0 258.325 1.189 10 0 CDAERP COC[C@H](C)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000173682426 285339154 /nfs/dbraw/zinc/33/91/54/285339154.db2.gz CXWGZUBUVMDSHC-QWHCGFSZSA-N 2 0 258.406 1.046 10 0 CDAERP COC[C@H](C)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000173682411 285339214 /nfs/dbraw/zinc/33/92/14/285339214.db2.gz CXWGZUBUVMDSHC-STQMWFEESA-N 2 0 258.406 1.046 10 0 CDAERP CN(C)C(=O)[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000656127168 413041348 /nfs/dbraw/zinc/04/13/48/413041348.db2.gz RLQOMFOPCRKCPW-IMJJTQAJSA-N 2 0 289.423 1.746 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC000568210716 390459062 /nfs/dbraw/zinc/45/90/62/390459062.db2.gz IANWKWXHBFZXSR-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@@H]1C[N@H+](C)C[C@@H]1NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000336310386 390597115 /nfs/dbraw/zinc/59/71/15/390597115.db2.gz NWCGWNGSOOXVPE-YPMHNXCESA-N 2 0 253.434 1.835 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N[C@H](C[NH3+])CC(C)C)CC1 ZINC000417751344 391025909 /nfs/dbraw/zinc/02/59/09/391025909.db2.gz PEODDNSFMVRXCO-HNNXBMFYSA-N 2 0 298.475 1.781 10 0 CDAERP C[C@H](Cc1ccccc1)CN1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000647507516 390974717 /nfs/dbraw/zinc/97/47/17/390974717.db2.gz RGACJBSHARWEAQ-FMKPAKJESA-N 2 0 262.397 1.913 10 0 CDAERP c1cc2c(c(C[NH2+][C@@H]3CC34CC[NH2+]CC4)c1)NCC2 ZINC000647548068 390995221 /nfs/dbraw/zinc/99/52/21/390995221.db2.gz UNFKJKLRMKJCHA-CQSZACIVSA-N 2 0 257.381 1.886 10 0 CDAERP COC(=O)[C@H]1CSCCN(C[C@H]([NH3+])CC(C)C)C1 ZINC000415144933 391050384 /nfs/dbraw/zinc/05/03/84/391050384.db2.gz VWZNZCZIHCADGT-VXGBXAGGSA-N 2 0 274.430 1.198 10 0 CDAERP COC(=O)C1CCC([NH2+]CCCC[NH+]2CCOCC2)CC1 ZINC000192439380 391075336 /nfs/dbraw/zinc/07/53/36/391075336.db2.gz NPKSQVBOQHLLOV-UHFFFAOYSA-N 2 0 298.427 1.420 10 0 CDAERP O=C(CC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)NC1CCCC1 ZINC000647901664 391198733 /nfs/dbraw/zinc/19/87/33/391198733.db2.gz SLRPQCMDXNLWHG-GOEBONIOSA-N 2 0 293.455 1.899 10 0 CDAERP C(C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)C1CC[NH2+]CC1 ZINC000647902761 391200450 /nfs/dbraw/zinc/20/04/50/391200450.db2.gz BZAFXYOVHLYYKG-CVEARBPZSA-N 3 0 265.445 1.840 10 0 CDAERP CCN(C)C(=O)CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647904070 391201320 /nfs/dbraw/zinc/20/13/20/391201320.db2.gz VXBPECAQZCZFME-KGLIPLIRSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)NCC[C@@H]2CC[NH2+]C2)cc1 ZINC000418346622 391350601 /nfs/dbraw/zinc/35/06/01/391350601.db2.gz UVWXRROVNUOEFY-OCCSQVGLSA-N 2 0 290.411 1.505 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(C3CC3)C2)[C@H]2CCC[C@@H]21 ZINC000353497018 391393807 /nfs/dbraw/zinc/39/38/07/391393807.db2.gz NSLSFUDCGIVWAQ-OJLVUWQFSA-N 2 0 263.429 1.686 10 0 CDAERP COCC[N@H+](C)CCC[NH2+][C@@H]1CCCSCC1 ZINC000657832928 413049361 /nfs/dbraw/zinc/04/93/61/413049361.db2.gz HWNUQJSTYHWIAM-CYBMUJFWSA-N 2 0 260.447 1.830 10 0 CDAERP COc1ncncc1C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000648003024 391449200 /nfs/dbraw/zinc/44/92/00/391449200.db2.gz BCGWADJPUVMTNQ-NSHDSACASA-N 2 0 273.340 1.588 10 0 CDAERP CC(C)[NH2+]CCN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000193450138 391461660 /nfs/dbraw/zinc/46/16/60/391461660.db2.gz WPGGEAJIOVWZCA-HNNXBMFYSA-N 2 0 253.434 1.792 10 0 CDAERP CC[C@H](C(N)=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000355794117 391469630 /nfs/dbraw/zinc/46/96/30/391469630.db2.gz CNQBWCNFLHQUKJ-HUUCEWRRSA-N 2 0 281.444 1.838 10 0 CDAERP COCCN1CC[C@H]([NH2+]CC[C@@H]2CCCOC2)C1 ZINC000527740520 391510476 /nfs/dbraw/zinc/51/04/76/391510476.db2.gz VBOKJDKIISYHQS-KBPBESRZSA-N 2 0 256.390 1.113 10 0 CDAERP C[C@@H](NC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000417848249 391517895 /nfs/dbraw/zinc/51/78/95/391517895.db2.gz BCYKKUWFHWXFTA-JHJVBQTASA-N 2 0 284.448 1.260 10 0 CDAERP C[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)C1=CC[NH+](C)CC1 ZINC000357870226 391530968 /nfs/dbraw/zinc/53/09/68/391530968.db2.gz NGYRFOGTFSFGKR-OCCSQVGLSA-N 2 0 280.416 1.030 10 0 CDAERP CC(C)[NH+](CCCNC(=O)N[C@@H](C)[C@@H](C)[NH3+])C(C)C ZINC000417805902 391492819 /nfs/dbraw/zinc/49/28/19/391492819.db2.gz ZNYCVIGOULVALW-OLZOCXBDSA-N 2 0 272.437 1.530 10 0 CDAERP CC[C@H]([NH3+])CNC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000417533337 391639724 /nfs/dbraw/zinc/63/97/24/391639724.db2.gz MHEXIFRHMVJVCE-UPJWGTAASA-N 2 0 270.421 1.286 10 0 CDAERP C[C@H](Cc1ccoc1)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000648416114 391598867 /nfs/dbraw/zinc/59/88/67/391598867.db2.gz PQNUNRGKXKPALP-CQSZACIVSA-N 2 0 279.428 1.826 10 0 CDAERP CCC[C@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415052812 391744644 /nfs/dbraw/zinc/74/46/44/391744644.db2.gz LLHSEMURUZXWTD-NFOMZHRRSA-N 2 0 253.434 1.981 10 0 CDAERP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCCC[NH3+])c1ccccc1 ZINC000417696965 391751033 /nfs/dbraw/zinc/75/10/33/391751033.db2.gz CVGWYGVLXCGHCZ-CYBMUJFWSA-N 2 0 292.427 1.764 10 0 CDAERP CCCC[C@H](COC)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415056692 391738201 /nfs/dbraw/zinc/73/82/01/391738201.db2.gz QIDGBVWXZWDROO-AQFXKWCLSA-N 2 0 297.487 1.998 10 0 CDAERP Cc1nc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cs1 ZINC000415059263 391739130 /nfs/dbraw/zinc/73/91/30/391739130.db2.gz UZJIFHRHXCDDNR-UHFFFAOYSA-N 2 0 294.468 1.758 10 0 CDAERP Cc1cnn(CC[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000341909246 130122967 /nfs/dbraw/zinc/12/29/67/130122967.db2.gz LOWPPKCEGIBQNK-OWCLPIDISA-N 2 0 292.427 1.375 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000418190330 391796125 /nfs/dbraw/zinc/79/61/25/391796125.db2.gz WBJNLXOVPOWBNI-SOUVJXGZSA-N 2 0 294.443 1.254 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H](C)C[NH+](C)C)cc1 ZINC000418208999 391812120 /nfs/dbraw/zinc/81/21/20/391812120.db2.gz QVQDECMKNQFMKP-RYUDHWBXSA-N 2 0 278.400 1.456 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)NCCCCC[NH+]1CCCC1 ZINC000418218690 391818949 /nfs/dbraw/zinc/81/89/49/391818949.db2.gz OWEALOXMNUBMCI-STQMWFEESA-N 2 0 270.421 1.287 10 0 CDAERP CN(C(=O)c1ccc2c(c1)CC[NH2+]CC2)C1CC[NH2+]CC1 ZINC000336064439 391849164 /nfs/dbraw/zinc/84/91/64/391849164.db2.gz PWCINBOSCYBODU-UHFFFAOYSA-N 2 0 287.407 1.199 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2C[NH2+]CCC2(F)F)CC[N@@H+]1C ZINC000649341056 392068512 /nfs/dbraw/zinc/06/85/12/392068512.db2.gz KABZQCOVVRROFT-GRYCIOLGSA-N 2 0 289.370 1.172 10 0 CDAERP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CC[C@@H]2C)CC[NH2+]CC1 ZINC000423103741 392348661 /nfs/dbraw/zinc/34/86/61/392348661.db2.gz GLOLFLDWCSRIGI-RWMBFGLXSA-N 2 0 268.401 1.696 10 0 CDAERP C[C@@H]1CCC[N@H+](CCNC(=O)c2ccccc2CC[NH3+])C1 ZINC000568152774 392375155 /nfs/dbraw/zinc/37/51/55/392375155.db2.gz JWRCVQNXYWBXBZ-CQSZACIVSA-N 2 0 289.423 1.650 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000629528662 392385310 /nfs/dbraw/zinc/38/53/10/392385310.db2.gz GFNONOWTSPZWGD-LBPRGKRZSA-N 2 0 254.378 1.351 10 0 CDAERP C[C@H](C[C@H]1COCC[NH2+]1)NC[C@H]([NH3+])c1ccccc1 ZINC000423247919 392468434 /nfs/dbraw/zinc/46/84/34/392468434.db2.gz MELUALVMGBGBKN-SNPRPXQTSA-N 2 0 263.385 1.043 10 0 CDAERP [NH3+][C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000423231952 392458711 /nfs/dbraw/zinc/45/87/11/392458711.db2.gz BKDFPAJFHSUIBT-OWCLPIDISA-N 2 0 259.397 1.903 10 0 CDAERP [NH3+][C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000423231950 392459360 /nfs/dbraw/zinc/45/93/60/392459360.db2.gz BKDFPAJFHSUIBT-BZUAXINKSA-N 2 0 259.397 1.903 10 0 CDAERP O=C(CC[C@@H]1CC[NH2+]C1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000645889292 392472400 /nfs/dbraw/zinc/47/24/00/392472400.db2.gz BURGVLOAHZDXPN-GFCCVEGCSA-N 2 0 285.351 1.596 10 0 CDAERP [NH3+]CCCNC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000437765959 392488423 /nfs/dbraw/zinc/48/84/23/392488423.db2.gz UCCFKAXJIQFLJV-UHFFFAOYSA-N 2 0 279.403 1.771 10 0 CDAERP CC[C@@H](Cn1cncn1)[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000423290461 392491039 /nfs/dbraw/zinc/49/10/39/392491039.db2.gz DBNQQKKHMGGUCR-WFASDCNBSA-N 2 0 273.384 1.866 10 0 CDAERP CC[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)[C@@H]1CCC[NH2+]1 ZINC000423500464 392581382 /nfs/dbraw/zinc/58/13/82/392581382.db2.gz AMCHWCODTVNEMG-GQGLESIBSA-N 3 0 294.487 1.323 10 0 CDAERP CC1=CC[N@H+](CCNC(=O)NC(C)(C)C[NH+](C)C)CC1 ZINC000458664617 392649133 /nfs/dbraw/zinc/64/91/33/392649133.db2.gz QIZRGZFGAXUAQT-UHFFFAOYSA-N 2 0 282.432 1.278 10 0 CDAERP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@H](C)COC)C1 ZINC000527115905 392722536 /nfs/dbraw/zinc/72/25/36/392722536.db2.gz CERUEFAIKUCFPW-GJZGRUSLSA-N 2 0 272.433 1.702 10 0 CDAERP COC[C@H](C)C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000527116607 392722870 /nfs/dbraw/zinc/72/28/70/392722870.db2.gz KSQIPYVYJVRLFK-UKRRQHHQSA-N 2 0 254.418 1.933 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000517223087 392856849 /nfs/dbraw/zinc/85/68/49/392856849.db2.gz HNYGFHOOAAPVIT-WBMJQRKESA-N 2 0 286.379 1.778 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2COC3(CCC3)C2)CC1 ZINC000657837504 413054553 /nfs/dbraw/zinc/05/45/53/413054553.db2.gz SSNHIOGXEYPTCA-HUUCEWRRSA-N 2 0 281.444 1.314 10 0 CDAERP CC(C)[NH+]1CCN(CCC[N@H+](C)CC2(CO)CC2)CC1 ZINC000192840459 393169633 /nfs/dbraw/zinc/16/96/33/393169633.db2.gz GHQNGFWKUXPYII-UHFFFAOYSA-N 2 0 283.460 1.107 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000494874984 393119159 /nfs/dbraw/zinc/11/91/59/393119159.db2.gz AUSSSVOBTAMHOJ-KGLIPLIRSA-N 2 0 281.444 1.898 10 0 CDAERP C[C@@H](C[NH2+][C@@H]1CCC(=O)NC1(C)C)C[NH+]1CCCC1 ZINC000494926144 393133087 /nfs/dbraw/zinc/13/30/87/393133087.db2.gz WLJVRRVCJJJFAU-QWHCGFSZSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@H](C[NH2+][C@H]1CCC(=O)NC1(C)C)C[NH+]1CCCCC1 ZINC000494925273 393133363 /nfs/dbraw/zinc/13/33/63/393133363.db2.gz STWKYQOJBZKGAX-KGLIPLIRSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCSCC1 ZINC000657878817 413068836 /nfs/dbraw/zinc/06/88/36/413068836.db2.gz HUANDHJFZINFFJ-ZIAGYGMSSA-N 2 0 271.474 1.498 10 0 CDAERP COCCN1CCC[C@@H]1C[NH2+][C@H](C)c1cn(C)nc1C ZINC000178561528 140005671 /nfs/dbraw/zinc/00/56/71/140005671.db2.gz WKABRLSDZPZTFS-TZMCWYRMSA-N 2 0 280.416 1.490 10 0 CDAERP C[C@H]1CN(C2CC[NH+](CC3CC[NH2+]CC3)CC2)CCO1 ZINC000178979331 140010628 /nfs/dbraw/zinc/01/06/28/140010628.db2.gz OFUOOJZXWYNAMG-AWEZNQCLSA-N 2 0 281.444 1.171 10 0 CDAERP Cc1nccn1CC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000220394459 140168582 /nfs/dbraw/zinc/16/85/82/140168582.db2.gz MWXKLYWQXRUXDG-CABCVRRESA-N 2 0 263.385 1.819 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000234756268 140231760 /nfs/dbraw/zinc/23/17/60/140231760.db2.gz GNAIZHBBEXHVGQ-DLBZAZTESA-N 2 0 291.439 1.604 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000261649699 140370269 /nfs/dbraw/zinc/37/02/69/140370269.db2.gz DLQWVZAZGMOWDJ-YNEHKIRRSA-N 2 0 253.390 1.104 10 0 CDAERP [NH3+]CCN(CCc1ccccc1)C(=O)C[C@H]1CC[NH2+]C1 ZINC000261758449 140384994 /nfs/dbraw/zinc/38/49/94/140384994.db2.gz PXXCJJVMXWLCPD-OAHLLOKOSA-N 2 0 275.396 1.016 10 0 CDAERP [NH3+]Cc1ccc2c(c1)CCCN2C(=O)CC[C@H]1CC[NH2+]C1 ZINC000261794557 140389713 /nfs/dbraw/zinc/38/97/13/140389713.db2.gz DCCZQRNRHOMYFU-ZDUSSCGKSA-N 2 0 287.407 1.814 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000662529362 413099882 /nfs/dbraw/zinc/09/98/82/413099882.db2.gz WEYZRAQNXMWYSG-DZGCQCFKSA-N 2 0 281.444 1.693 10 0 CDAERP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000662531644 413101270 /nfs/dbraw/zinc/10/12/70/413101270.db2.gz KFPLACDDGBTRMU-BFHYXJOUSA-N 2 0 265.401 1.071 10 0 CDAERP COC[C@@H](CC1CCOCC1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000658047247 413152460 /nfs/dbraw/zinc/15/24/60/413152460.db2.gz PMSUZUKIXYMCEO-OAGGEKHMSA-N 2 0 284.444 1.748 10 0 CDAERP O=C(C[NH2+]CC1CC1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662595359 413166154 /nfs/dbraw/zinc/16/61/54/413166154.db2.gz WICIZJGPWZFRTG-OAHLLOKOSA-N 2 0 279.428 1.224 10 0 CDAERP CC(C)N1C(=O)C[N@H+](CC[C@H]2CCC[NH2+]C2)CC1(C)C ZINC000420309440 397698392 /nfs/dbraw/zinc/69/83/92/397698392.db2.gz TXORXZONSJTLBX-CQSZACIVSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@H]1C[N@H+](C)CCN1C(=O)NCCC[NH+](C)CC(C)C ZINC000651196937 397875483 /nfs/dbraw/zinc/87/54/83/397875483.db2.gz RVWZLYWHBSGYMI-HNNXBMFYSA-N 2 0 298.475 1.700 10 0 CDAERP C[NH+](C)CCN1CCN(C/C=C\c2ccccc2)CC1=O ZINC000649688565 397898544 /nfs/dbraw/zinc/89/85/44/397898544.db2.gz HFIBSKQINASCQG-TWGQIWQCSA-N 2 0 287.407 1.406 10 0 CDAERP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000105480452 147221882 /nfs/dbraw/zinc/22/18/82/147221882.db2.gz ZCJUXTCSULAJGY-FZMZJTMJSA-N 2 0 261.369 1.215 10 0 CDAERP CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000658108750 413210210 /nfs/dbraw/zinc/21/02/10/413210210.db2.gz ROJMQXURBQLNSD-MJBXVCDLSA-N 2 0 259.438 1.271 10 0 CDAERP COc1cccc(C[C@H](C)[NH2+][C@@H]2CCCN(C)C2)n1 ZINC000679989504 483508359 /nfs/dbraw/zinc/50/83/59/483508359.db2.gz QGUFZCOFPIBHSE-GXTWGEPZSA-N 2 0 263.385 1.705 10 0 CDAERP CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000178830628 148093012 /nfs/dbraw/zinc/09/30/12/148093012.db2.gz OPPDTYVQGUIQTL-MFKMUULPSA-N 2 0 264.373 1.455 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H](N[C@H](C)[C@H](C)[NH3+])[C@H](C)C1 ZINC000423448918 286064686 /nfs/dbraw/zinc/06/46/86/286064686.db2.gz QUZKSDZEVNAMNO-BARDWOONSA-N 2 0 271.449 1.449 10 0 CDAERP C[C@H](CCNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+])[NH+](C)C ZINC000662633702 413229455 /nfs/dbraw/zinc/22/94/55/413229455.db2.gz OCKSOTHRVLAIFA-RDBSUJKOSA-N 2 0 269.433 1.741 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC000262427376 149062774 /nfs/dbraw/zinc/06/27/74/149062774.db2.gz RGPXUWNPZCRMOU-ZNMIVQPWSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@H](NCCC[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309906159 149189272 /nfs/dbraw/zinc/18/92/72/149189272.db2.gz KINMFIVCXUNOJP-GOEBONIOSA-N 2 0 261.413 1.835 10 0 CDAERP CC[C@H](C(=O)N(C)CC[NH2+]Cc1ccccc1C)[NH+](C)C ZINC001664313979 1172838216 /nfs/dbraw/zinc/83/82/16/1172838216.db2.gz RDYBOEPOWYTINR-MRXNPFEDSA-N 2 0 291.439 1.883 10 0 CDAERP C[C@@H](NC(=O)N1CCC([NH+]2CCCCC2)CC1)[C@H](C)[NH3+] ZINC000335435011 150640891 /nfs/dbraw/zinc/64/08/91/150640891.db2.gz GNJXIJYFMKAYOX-QWHCGFSZSA-N 2 0 282.432 1.382 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654406061 413248969 /nfs/dbraw/zinc/24/89/69/413248969.db2.gz YGYWSAGSGIIQLV-MCIONIFRSA-N 2 0 284.448 1.356 10 0 CDAERP C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000343269290 152093142 /nfs/dbraw/zinc/09/31/42/152093142.db2.gz AXCSCOMQYDEWJN-RHSMWYFYSA-N 2 0 284.407 1.971 10 0 CDAERP c1cc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)nc(C2CC2)n1 ZINC000346754614 153294093 /nfs/dbraw/zinc/29/40/93/153294093.db2.gz WQJGOPHMZRVVRP-STQMWFEESA-N 2 0 258.369 1.815 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654438380 413287030 /nfs/dbraw/zinc/28/70/30/413287030.db2.gz BQWFJAJBARYJDK-SOUVJXGZSA-N 2 0 296.459 1.500 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CC[C@H]3C[NH+](C)C[C@H]32)C1 ZINC000660609822 413290581 /nfs/dbraw/zinc/29/05/81/413290581.db2.gz GCOLVPQPVVHITF-XUWVNRHRSA-N 2 0 265.445 1.600 10 0 CDAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CC(OC)C2)[C@H](C)C1 ZINC000349725291 154197293 /nfs/dbraw/zinc/19/72/93/154197293.db2.gz WXPXJULHUXGXBV-PRLABOORSA-N 2 0 284.444 1.890 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)CCOC(C)C)[C@H](C)C1 ZINC000349859201 154245022 /nfs/dbraw/zinc/24/50/22/154245022.db2.gz ZBSFXDUVASTEDR-PMPSAXMXSA-N 2 0 286.460 1.825 10 0 CDAERP C[C@@H]1CSC[C@@H]1[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000352799322 155442373 /nfs/dbraw/zinc/44/23/73/155442373.db2.gz MNVWROPZFIIGQD-RISCZKNCSA-N 2 0 297.468 1.071 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)CC2CC2)[C@@H]2CCC[C@@H]21 ZINC000658256572 413316675 /nfs/dbraw/zinc/31/66/75/413316675.db2.gz XHUCOGQSKRRRRI-UGUYLWEFSA-N 2 0 266.429 1.857 10 0 CDAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662692358 413324787 /nfs/dbraw/zinc/32/47/87/413324787.db2.gz WQRHMORQHYXUAQ-KKUMJFAQSA-N 2 0 275.396 1.013 10 0 CDAERP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)CC2([NH3+])CC2)C1 ZINC000662698077 413336151 /nfs/dbraw/zinc/33/61/51/413336151.db2.gz HDSJMMHDOHVFLI-GJZGRUSLSA-N 2 0 293.455 1.981 10 0 CDAERP CC[C@H]1C[C@@H](C[NH2+]CC2(O)CC[NH+](C)CC2)CCO1 ZINC000355674684 157179217 /nfs/dbraw/zinc/17/92/17/157179217.db2.gz RCHMPBDYRBYXML-KBPBESRZSA-N 2 0 270.417 1.238 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000662702700 413350088 /nfs/dbraw/zinc/35/00/88/413350088.db2.gz CMSCLANHJDDBEZ-ZNMIVQPWSA-N 2 0 281.444 1.885 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](CCCCCF)C1 ZINC001665013132 1172931449 /nfs/dbraw/zinc/93/14/49/1172931449.db2.gz LJGOVJJNAZBOHR-CQSZACIVSA-N 2 0 287.423 1.659 10 0 CDAERP CN1CCN(C(=O)CC2([NH3+])CC2)c2ccccc2C1 ZINC000662719706 413378647 /nfs/dbraw/zinc/37/86/47/413378647.db2.gz ITKZJONAULRINR-UHFFFAOYSA-N 2 0 259.353 1.346 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000362878857 159259841 /nfs/dbraw/zinc/25/98/41/159259841.db2.gz YEKRLJZCUTYKQO-CABCVRRESA-N 2 0 281.444 1.707 10 0 CDAERP CN([C@@H](C[NH3+])Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000022211762 171373906 /nfs/dbraw/zinc/37/39/06/171373906.db2.gz YOLGSILSYRIZKA-MRXNPFEDSA-N 2 0 261.413 1.582 10 0 CDAERP CC[NH+](CC)CC(=O)NCc1ccccc1C[NH2+]C ZINC000653214267 412141265 /nfs/dbraw/zinc/14/12/65/412141265.db2.gz NLTWYBXOOVJTTR-UHFFFAOYSA-N 2 0 263.385 1.364 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000653176521 412117410 /nfs/dbraw/zinc/11/74/10/412117410.db2.gz XOKURUKVTNCZKO-UONOGXRCSA-N 2 0 269.433 1.598 10 0 CDAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000654660124 413547292 /nfs/dbraw/zinc/54/72/92/413547292.db2.gz RKKXGASCKXJLKZ-SOUVJXGZSA-N 2 0 296.459 1.310 10 0 CDAERP CCO[C@@H]1CN(CC(=O)N2CCCC[C@@H]2CC)C[C@H]1C[NH3+] ZINC000405589753 413634529 /nfs/dbraw/zinc/63/45/29/413634529.db2.gz MLQGWSVLDFAGOZ-QLFBSQMISA-N 2 0 297.443 1.073 10 0 CDAERP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H](CCF)C2)C1 ZINC000656792185 413672725 /nfs/dbraw/zinc/67/27/25/413672725.db2.gz PMGZRYOLHQXGDF-KBPBESRZSA-N 2 0 285.407 1.255 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)c1csc(CC[NH3+])n1 ZINC000664719753 413616206 /nfs/dbraw/zinc/61/62/06/413616206.db2.gz XLQRJQURJORWAJ-UHFFFAOYSA-N 2 0 298.456 1.495 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)N(CC)[C@H]1CC[NH+](C)C1 ZINC000664935455 413743964 /nfs/dbraw/zinc/74/39/64/413743964.db2.gz ZKVCSORXJUFTSN-CABCVRRESA-N 2 0 298.475 1.842 10 0 CDAERP C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659367040 413748417 /nfs/dbraw/zinc/74/84/17/413748417.db2.gz LBWBBWNMLASUCJ-MJVIPROJSA-N 2 0 277.368 1.269 10 0 CDAERP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)NCC12CC(C1)C[NH2+]2 ZINC000659487356 413877469 /nfs/dbraw/zinc/87/74/69/413877469.db2.gz ZDEFEIKSNMAJQM-UGWHAMFMSA-N 2 0 292.427 1.055 10 0 CDAERP CN(CC(C)(C)[NH3+])C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000659471480 413859927 /nfs/dbraw/zinc/85/99/27/413859927.db2.gz FEBHWBJYTHYMKU-UHFFFAOYSA-N 2 0 284.448 1.486 10 0 CDAERP O=C(NCCC[NH+]1CCCC1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407318635 413928873 /nfs/dbraw/zinc/92/88/73/413928873.db2.gz QHZBCWSFTCVGHV-UONOGXRCSA-N 2 0 265.401 1.119 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659495039 413887371 /nfs/dbraw/zinc/88/73/71/413887371.db2.gz ZMZCOECJCVEAET-DNOWBOINSA-N 2 0 282.432 1.158 10 0 CDAERP [NH3+][C@H]1CCC[C@@H]([NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)C1 ZINC000665274798 414010382 /nfs/dbraw/zinc/01/03/82/414010382.db2.gz YMTGDLGXIMABTG-ZJIFWQFVSA-N 2 0 293.455 1.489 10 0 CDAERP Cc1cncc(CC[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)n1 ZINC000665274516 414012119 /nfs/dbraw/zinc/01/21/19/414012119.db2.gz RZUZWDSYQIDCLM-LBPRGKRZSA-N 2 0 285.395 1.840 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000661362412 414022079 /nfs/dbraw/zinc/02/20/79/414022079.db2.gz VANFFJCUJYMIBF-MELADBBJSA-N 2 0 296.459 1.499 10 0 CDAERP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@H]2CCCc3ccccc3C2)n1 ZINC000665294315 414034511 /nfs/dbraw/zinc/03/45/11/414034511.db2.gz MJKVFCJFXKBGBU-AWEZNQCLSA-N 2 0 298.390 1.678 10 0 CDAERP C[C@@H]([NH2+][C@H]1CN2CCC1CC2)C1CC[NH+](C)CC1 ZINC000037210053 173031764 /nfs/dbraw/zinc/03/17/64/173031764.db2.gz IKKPWWGRRQOEKU-DOMZBBRYSA-N 2 0 251.418 1.401 10 0 CDAERP Cc1cc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)nn1C ZINC000655804289 414198987 /nfs/dbraw/zinc/19/89/87/414198987.db2.gz RSAIUMXGIPPJCZ-UPJWGTAASA-N 2 0 250.390 1.719 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)C[C@H](C)O ZINC000657371713 414250043 /nfs/dbraw/zinc/25/00/43/414250043.db2.gz MBKLMLQINLILHA-OLZOCXBDSA-N 2 0 274.368 1.764 10 0 CDAERP O[C@@H]1CCC[C@H]1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657377184 414254169 /nfs/dbraw/zinc/25/41/69/414254169.db2.gz AWVFLWOPGJZKEL-SWLSCSKDSA-N 2 0 272.352 1.518 10 0 CDAERP O[C@]1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCSC1 ZINC000657382388 414259616 /nfs/dbraw/zinc/25/96/16/414259616.db2.gz DBHJYHOWAZIUKU-AWEZNQCLSA-N 2 0 290.392 1.225 10 0 CDAERP C[N@H+]1CC=C(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000657426824 414311969 /nfs/dbraw/zinc/31/19/69/414311969.db2.gz FOARRFJLHHNFRL-UHFFFAOYSA-N 3 0 283.379 1.619 10 0 CDAERP FC(F)(F)OCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657447749 414346979 /nfs/dbraw/zinc/34/69/79/414346979.db2.gz ZFGOOTKQLBJSHL-UHFFFAOYSA-N 2 0 286.257 1.893 10 0 CDAERP COC[C@H](CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)OC ZINC000657552147 414436435 /nfs/dbraw/zinc/43/64/35/414436435.db2.gz BDIGGTYNWQYHNR-MJBXVCDLSA-N 2 0 256.390 1.254 10 0 CDAERP CN(CC[C@H]1CCCC[N@@H+]1C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662263821 414600374 /nfs/dbraw/zinc/60/03/74/414600374.db2.gz OCUYRLHEOYOWSJ-HUUCEWRRSA-N 2 0 281.444 1.314 10 0 CDAERP C[N@@H+]1CC[C@H](NC[C@H]2C[NH2+]CCO2)[C@H]1c1ccccc1 ZINC000662284717 414613779 /nfs/dbraw/zinc/61/37/79/414613779.db2.gz ZLXLLBMCIIEGNZ-OWCLPIDISA-N 2 0 275.396 1.010 10 0 CDAERP C[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)[C@@H]1CCCO1 ZINC000662283961 414613995 /nfs/dbraw/zinc/61/39/95/414613995.db2.gz WIPWEXIOTSJPDM-WBMJQRKESA-N 2 0 260.381 1.989 10 0 CDAERP COCC[NH2+]C1CC[NH+](C[C@@H](OC)C2CCC2)CC1 ZINC000662287319 414615873 /nfs/dbraw/zinc/61/58/73/414615873.db2.gz YXFBBVWIHOVXOA-OAHLLOKOSA-N 2 0 270.417 1.502 10 0 CDAERP O=C(CC[NH2+][C@@H]1CCCC12CCCCC2)N1CC[NH2+]CC1 ZINC000662295458 414621176 /nfs/dbraw/zinc/62/11/76/414621176.db2.gz KASQYVAWFSDHDH-OAHLLOKOSA-N 2 0 293.455 1.901 10 0 CDAERP COC[C@H](C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)OC ZINC000662296122 414621629 /nfs/dbraw/zinc/62/16/29/414621629.db2.gz XWLWRJLADCNIEH-CABCVRRESA-N 2 0 270.417 1.359 10 0 CDAERP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@@H]2CCCOC2)CCO1 ZINC000662318929 414638747 /nfs/dbraw/zinc/63/87/47/414638747.db2.gz BJAGNRZEMRCRMN-LSDHHAIUSA-N 2 0 270.417 1.456 10 0 CDAERP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@H](O)CC2CCCC2)CCO1 ZINC000662321320 414640937 /nfs/dbraw/zinc/64/09/37/414640937.db2.gz BKHCROFYHRVXSX-IAGOWNOFSA-N 2 0 298.471 1.970 10 0 CDAERP CC[NH+]1CCC([C@@H](C)[NH2+][C@H]2CCCN(C)C2)CC1 ZINC000040672697 174371690 /nfs/dbraw/zinc/37/16/90/174371690.db2.gz UWQSEVUWECTCJE-HIFRSBDPSA-N 2 0 253.434 1.791 10 0 CDAERP CCOC1CCN(C2(C[NH3+])CC[NH+](CC)CC2)CC1 ZINC000040678801 174374922 /nfs/dbraw/zinc/37/49/22/174374922.db2.gz IYCOIJPPNCSJJA-UHFFFAOYSA-N 2 0 269.433 1.301 10 0 CDAERP C[NH+](C)Cc1ccccc1CNC(=O)[C@](C)([NH3+])C1CC1 ZINC000040855311 174422956 /nfs/dbraw/zinc/42/29/56/174422956.db2.gz FCAFGBHAPGVVPB-MRXNPFEDSA-N 2 0 275.396 1.492 10 0 CDAERP C[NH+](C)CCOc1ccc(N[C@@H]2CCC[NH2+]C2)cc1 ZINC000043327185 175008578 /nfs/dbraw/zinc/00/85/78/175008578.db2.gz YGTGJZCLRIYZPN-CQSZACIVSA-N 2 0 263.385 1.791 10 0 CDAERP C[C@H]([NH3+])[C@H](c1ccccn1)N1CCC([NH+](C)C)CC1 ZINC000043339423 175013878 /nfs/dbraw/zinc/01/38/78/175013878.db2.gz URMGBYWNIWNAHK-SWLSCSKDSA-N 2 0 262.401 1.496 10 0 CDAERP CC[C@H]([NH3+])[C@@H](c1cccnc1)N1CCC[N@H+](C)CC1 ZINC000043345957 175016767 /nfs/dbraw/zinc/01/67/67/175016767.db2.gz LUJHTOCAQYTJDE-LSDHHAIUSA-N 2 0 262.401 1.498 10 0 CDAERP CC[C@H]([NH3+])[C@@H](c1cccnc1)N1CC[NH+](CC2CC2)CC1 ZINC000043347671 175018131 /nfs/dbraw/zinc/01/81/31/175018131.db2.gz MAIMTIBGOMNIAP-DLBZAZTESA-N 2 0 288.439 1.888 10 0 CDAERP CC[NH+]1CCC(C[NH3+])(N2CCO[C@@H]3CCC[C@@H]32)CC1 ZINC000043424644 175040260 /nfs/dbraw/zinc/04/02/60/175040260.db2.gz NVGGFBIDHMKJCB-UONOGXRCSA-N 2 0 267.417 1.053 10 0 CDAERP CCC[N@H+](CCCC(=O)N(C)C)C1CC[NH2+]CC1 ZINC000043454016 175049445 /nfs/dbraw/zinc/04/94/45/175049445.db2.gz DNUFURHJSZILHU-UHFFFAOYSA-N 2 0 255.406 1.319 10 0 CDAERP CCC[N@H+]([C@H](C)CC(=O)OCC)C1CC[NH2+]CC1 ZINC000043622908 175080677 /nfs/dbraw/zinc/08/06/77/175080677.db2.gz KLDWKGMLRVBLHW-GFCCVEGCSA-N 2 0 256.390 1.792 10 0 CDAERP CC[NH2+][C@@H](CN1CC[NH+](CC)CC1)c1ccccc1OC ZINC000043805999 175108557 /nfs/dbraw/zinc/10/85/57/175108557.db2.gz FNCWVLCOEYVWLF-INIZCTEOSA-N 2 0 291.439 1.983 10 0 CDAERP C[NH2+][C@@H](c1ccc(C)cc1)[C@@H](C)N1CC[NH+](C)CC1 ZINC000043810519 175109543 /nfs/dbraw/zinc/10/95/43/175109543.db2.gz OJVPKMQTCVFFKF-GDBMZVCRSA-N 2 0 261.413 1.891 10 0 CDAERP CC[NH2+][C@@H](CN1CC[NH+](C)CC1)c1cc(C)ccc1OC ZINC000043810822 175110118 /nfs/dbraw/zinc/11/01/18/175110118.db2.gz XMXAAOYDCYKUOZ-INIZCTEOSA-N 2 0 291.439 1.902 10 0 CDAERP C[NH2+][C@H](CN1CC[NH+](C(C)C)CC1)c1cccc(OC)c1 ZINC000043896942 175120191 /nfs/dbraw/zinc/12/01/91/175120191.db2.gz MMSHUIIUJSQMRV-QGZVFWFLSA-N 2 0 291.439 1.982 10 0 CDAERP C[NH2+][C@@H](CN1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000043967823 175129155 /nfs/dbraw/zinc/12/91/55/175129155.db2.gz XDFJTEZRRIGJQU-KRWDZBQOSA-N 2 0 273.424 1.975 10 0 CDAERP CC[NH+]1CCC(C[N@@H+]2CCC[NH2+]C[C@H](C)C2)CC1 ZINC000044526850 175192192 /nfs/dbraw/zinc/19/21/92/175192192.db2.gz QGQKCSJXRHWJGU-AWEZNQCLSA-N 3 0 253.434 1.650 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH3+])CCCCCC2)C1 ZINC000044763179 175247239 /nfs/dbraw/zinc/24/72/39/175247239.db2.gz YQMNKQLGBVNAKY-CYBMUJFWSA-N 2 0 267.417 1.496 10 0 CDAERP C[NH2+][C@@H](C)c1ccc(S(=O)(=O)NC[C@H](C)[NH+](C)C)cc1 ZINC000045110241 175310118 /nfs/dbraw/zinc/31/01/18/175310118.db2.gz SRTAUYKZAZWIIJ-RYUDHWBXSA-N 2 0 299.440 1.195 10 0 CDAERP CCCC[N@H+](C)CCC[C@](C)([NH2+]C1CC1)C(N)=O ZINC000045368429 175363887 /nfs/dbraw/zinc/36/38/87/175363887.db2.gz CFQIURIIZIXJCO-AWEZNQCLSA-N 2 0 255.406 1.495 10 0 CDAERP CCOC1CC[NH+](CCC[C@](C)([NH2+]C(C)C)C(N)=O)CC1 ZINC000045420153 175378568 /nfs/dbraw/zinc/37/85/68/175378568.db2.gz HICVGDQTXUKQDT-INIZCTEOSA-N 2 0 299.459 1.510 10 0 CDAERP CC(C)[NH2+][C@@H]1CCCN(C[C@H](C)C[NH+]2CCCC2)C1=O ZINC000071031251 176022656 /nfs/dbraw/zinc/02/26/56/176022656.db2.gz DBGCVUFTAQXBGC-HUUCEWRRSA-N 2 0 281.444 1.707 10 0 CDAERP CC[NH2+][C@H]1CCN([C@H](CC(C)C)C[NH+](C)C)C1=O ZINC000071032001 176023091 /nfs/dbraw/zinc/02/30/91/176023091.db2.gz QRKGJFOROWXKNF-OLZOCXBDSA-N 2 0 255.406 1.173 10 0 CDAERP CC[NH2+][C@@H]1CCCN([C@H](C)C[NH+]2CCCC2)C1=O ZINC000071033588 176024108 /nfs/dbraw/zinc/02/41/08/176024108.db2.gz CTBPKMRMOWLRFW-CHWSQXEVSA-N 2 0 253.390 1.071 10 0 CDAERP CC(C)[NH2+][C@H]1CCCN([C@@H]2CC[N@@H+](C3CC3)C2)C1=O ZINC000071034054 176024350 /nfs/dbraw/zinc/02/43/50/176024350.db2.gz DNGDCVLFWQMQIH-KGLIPLIRSA-N 2 0 265.401 1.212 10 0 CDAERP C[C@@H](CN1CCC[C@H]([NH2+]C2CC2)C1=O)[NH+]1CCCCC1 ZINC000071036405 176025999 /nfs/dbraw/zinc/02/59/99/176025999.db2.gz LGCQWHUEERJSTR-ZFWWWQNUSA-N 2 0 279.428 1.604 10 0 CDAERP C[N@H+](CCN1CCC[C@H]([NH2+]C2CC2)C1=O)C1CCCC1 ZINC000071043722 176029862 /nfs/dbraw/zinc/02/98/62/176029862.db2.gz HDNFFOLATMVWDD-HNNXBMFYSA-N 2 0 279.428 1.604 10 0 CDAERP COC(C)(C)C[C@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071148964 176044595 /nfs/dbraw/zinc/04/45/95/176044595.db2.gz FHCKVIUVGGQLGU-ZDUSSCGKSA-N 2 0 257.422 1.027 10 0 CDAERP CCc1ccc([C@H](C[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)o1 ZINC000071188355 176062780 /nfs/dbraw/zinc/06/27/80/176062780.db2.gz OMGHKUPMCFJAMX-OCCSQVGLSA-N 2 0 265.401 1.725 10 0 CDAERP CN(CC[NH2+]Cc1cccnc1)C[C@@H]1CC[N@H+](C)C1 ZINC000071192381 176073252 /nfs/dbraw/zinc/07/32/52/176073252.db2.gz WQBFAVRDHSEZRY-OAHLLOKOSA-N 2 0 262.401 1.055 10 0 CDAERP Cc1nc(N(C)C[C@H]2CC[N@H+](C)C2)sc1[C@@H](C)[NH3+] ZINC000071192527 176074598 /nfs/dbraw/zinc/07/45/98/176074598.db2.gz UNWJEIBEQCYFOP-KOLCDFICSA-N 2 0 268.430 1.859 10 0 CDAERP CC(C)[NH2+][C@H]1CCCN(CC2CC[NH+](C)CC2)C1 ZINC000071201203 176077627 /nfs/dbraw/zinc/07/76/27/176077627.db2.gz SYAYGVFPAOCDCO-HNNXBMFYSA-N 2 0 253.434 1.791 10 0 CDAERP CC[N@@H+]1CCC[C@H](N2CCC[C@H]([NH2+]C3CC3)C2)C1 ZINC000071200669 176077726 /nfs/dbraw/zinc/07/77/26/176077726.db2.gz KWDDGLSFKPIYSZ-GJZGRUSLSA-N 2 0 251.418 1.687 10 0 CDAERP CCC[NH2+][C@H]1CCN([C@@H](C)C[NH+]2CCCCC2)C1 ZINC000071201505 176078322 /nfs/dbraw/zinc/07/83/22/176078322.db2.gz OGEHDXNNCFVMQM-GJZGRUSLSA-N 2 0 253.434 1.935 10 0 CDAERP C[C@@H]([NH3+])[C@@H](c1ccsc1)N1CC[NH+](CC(C)(C)O)CC1 ZINC000071380337 176145169 /nfs/dbraw/zinc/14/51/69/176145169.db2.gz AJOJZKBLYSSPQB-OCCSQVGLSA-N 2 0 297.468 1.525 10 0 CDAERP C[NH2+][C@@H]1CCCCC[C@H]1CN1CC[NH+](CC(C)(C)O)CC1 ZINC000071381770 176145718 /nfs/dbraw/zinc/14/57/18/176145718.db2.gz ZMJMGWIVVOQLSH-JKSUJKDBSA-N 2 0 297.487 1.543 10 0 CDAERP [NH3+][C@H](CCC(=O)N[C@@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC000071400121 176152544 /nfs/dbraw/zinc/15/25/44/176152544.db2.gz YJGZOWWVQZVENW-HZPDHXFCSA-N 2 0 287.407 1.677 10 0 CDAERP COc1cccc([C@H](CC[NH3+])C[NH+]2CCOCC2)c1 ZINC000076680123 177057926 /nfs/dbraw/zinc/05/79/26/177057926.db2.gz PCIGDNVZHCEXCD-CQSZACIVSA-N 2 0 264.369 1.460 10 0 CDAERP CC(C)(C)[NH+]1CCC(NC(=O)[C@@]2(C)CCC[NH2+]2)CC1 ZINC000079544879 177518545 /nfs/dbraw/zinc/51/85/45/177518545.db2.gz ZGZMQHUSOWAKJM-OAHLLOKOSA-N 2 0 267.417 1.508 10 0 CDAERP C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C[NH2+]CCC1CC1 ZINC001666546236 1173149471 /nfs/dbraw/zinc/14/94/71/1173149471.db2.gz IHVBXEKMYSPWJW-BBRMVZONSA-N 2 0 293.455 1.470 10 0 CDAERP CCC[NH2+]C[C@@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001666621420 1173162177 /nfs/dbraw/zinc/16/21/77/1173162177.db2.gz YHNDFDMTNDBWAJ-CHWSQXEVSA-N 2 0 255.406 1.080 10 0 CDAERP Cc1cc(C)n2c(C[NH2+][C@@H]3CC[C@@H](C[NH3+])C3)cnc2n1 ZINC000415046812 263258327 /nfs/dbraw/zinc/25/83/27/263258327.db2.gz VHRFXDBLWQMPAD-CHWSQXEVSA-N 2 0 273.384 1.563 10 0 CDAERP C[C@H](CNC(=O)N1CC2CC1(C[NH3+])C2)C[NH+]1CCCCC1 ZINC000659440026 423775644 /nfs/dbraw/zinc/77/56/44/423775644.db2.gz KYJRDXGSOUTOEV-VQCLRJIVSA-N 2 0 294.443 1.241 10 0 CDAERP C[C@@H]1C[C@H](C)[N@H+](CCO[C@H]2CC2(F)F)C[C@@H]1C[NH3+] ZINC000662282641 423884006 /nfs/dbraw/zinc/88/40/06/423884006.db2.gz IHHMIUXMSRLSOE-RHYQMDGZSA-N 2 0 262.344 1.716 10 0 CDAERP COCC[C@@H]1CCCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662283147 423887615 /nfs/dbraw/zinc/88/76/15/423887615.db2.gz RERNECVIAAFWTJ-LSDHHAIUSA-N 2 0 282.428 1.646 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2)C1CCCCC1 ZINC000655444498 423849309 /nfs/dbraw/zinc/84/93/09/423849309.db2.gz FMPAFJBKMWUSCL-NVXWUHKLSA-N 2 0 293.455 1.757 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000652204081 424024942 /nfs/dbraw/zinc/02/49/42/424024942.db2.gz FOTRPFQPJSXJRC-CQSZACIVSA-N 2 0 284.448 1.263 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000334961738 423988227 /nfs/dbraw/zinc/98/82/27/423988227.db2.gz FEWJYEJVRJLIAP-TZMCWYRMSA-N 2 0 267.417 1.364 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000652204080 424026475 /nfs/dbraw/zinc/02/64/75/424026475.db2.gz FOTRPFQPJSXJRC-AWEZNQCLSA-N 2 0 284.448 1.263 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(CO)CCc3ccccc32)CC[N@@H+]1C ZINC000652226270 424089292 /nfs/dbraw/zinc/08/92/92/424089292.db2.gz NJQKWQMDYAQEFL-UWWQBHOKSA-N 2 0 288.435 1.935 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N[C@H](C)CCC[NH3+] ZINC000652220937 424094796 /nfs/dbraw/zinc/09/47/96/424094796.db2.gz NARAHTUEDPBXKX-GFCCVEGCSA-N 2 0 278.400 1.333 10 0 CDAERP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662398437 424038156 /nfs/dbraw/zinc/03/81/56/424038156.db2.gz SCBWTWVOVWUHEZ-VHSXEESVSA-N 2 0 280.372 1.210 10 0 CDAERP Cc1cc(C[NH3+])cc(NC(=O)[C@@H]([NH3+])COC(C)C)c1 ZINC000662579303 424194406 /nfs/dbraw/zinc/19/44/06/424194406.db2.gz QEDVAOMUPFFLKE-ZDUSSCGKSA-N 2 0 265.357 1.145 10 0 CDAERP C[C@H]1C[C@@H](N(C)C(=O)NCCC2CC[NH2+]CC2)CC[N@@H+]1C ZINC000652314098 424219844 /nfs/dbraw/zinc/21/98/44/424219844.db2.gz UNFGAYKBSNTTJE-ZFWWWQNUSA-N 2 0 296.459 1.500 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)cc1 ZINC000653054499 424181543 /nfs/dbraw/zinc/18/15/43/424181543.db2.gz XXUIVPUITDMWSU-UVBJJODRSA-N 2 0 287.407 1.853 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653111978 424284239 /nfs/dbraw/zinc/28/42/39/424284239.db2.gz HZQNOZOLFISJGC-GMTAPVOTSA-N 2 0 295.349 1.231 10 0 CDAERP COCCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652363401 424314002 /nfs/dbraw/zinc/31/40/02/424314002.db2.gz DALFQOJDNSFJPD-MJBXVCDLSA-N 2 0 256.390 1.384 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000662730474 424382812 /nfs/dbraw/zinc/38/28/12/424382812.db2.gz GKKMCSTVAHZLDX-BRXULGCHSA-N 2 0 297.443 1.009 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000659619148 424415477 /nfs/dbraw/zinc/41/54/77/424415477.db2.gz MTGORIGWUQFECH-UPJWGTAASA-N 2 0 270.421 1.271 10 0 CDAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[C@H](C)SC1 ZINC000655757602 424446692 /nfs/dbraw/zinc/44/66/92/424446692.db2.gz UXAMRUYXROCFTB-QLFBSQMISA-N 2 0 285.501 1.886 10 0 CDAERP C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)[C@H]1CCOC1 ZINC000400563379 424389222 /nfs/dbraw/zinc/38/92/22/424389222.db2.gz NFCKLISPSDLXNS-KKUMJFAQSA-N 2 0 252.402 1.877 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](OC)C1CCCC1 ZINC000665275965 424487773 /nfs/dbraw/zinc/48/77/73/424487773.db2.gz WGHNGUXEBARGCW-ZIAGYGMSSA-N 2 0 258.406 1.535 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](OC)C1CCCC1 ZINC000665275963 424488401 /nfs/dbraw/zinc/48/84/01/424488401.db2.gz WGHNGUXEBARGCW-KGLIPLIRSA-N 2 0 258.406 1.535 10 0 CDAERP C[C@@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)[C@@H]1CCC[NH2+]C1 ZINC000665235617 424467732 /nfs/dbraw/zinc/46/77/32/424467732.db2.gz XHBGQADFEMBJIE-CHWSQXEVSA-N 2 0 288.457 1.179 10 0 CDAERP Cc1c(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cnn1C ZINC000397388549 270350039 /nfs/dbraw/zinc/35/00/39/270350039.db2.gz IUXOFVSAWLMBMP-GVXVVHGQSA-N 2 0 250.390 1.534 10 0 CDAERP CC1CC[NH+](CC(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CCF)CC1 ZINC001667759188 1173320991 /nfs/dbraw/zinc/32/09/91/1173320991.db2.gz VRUHTTDGDKLBHC-HUUCEWRRSA-N 2 0 299.434 1.562 10 0 CDAERP CCC[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C)[NH+](C)C ZINC000120519483 276021096 /nfs/dbraw/zinc/02/10/96/276021096.db2.gz SPTVGBCIMZXQTF-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CC[NH+](CC)CCC[N@@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000372804610 276096195 /nfs/dbraw/zinc/09/61/95/276096195.db2.gz FMVPNVUEDLXIHM-HUUCEWRRSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@@H](C)C[C@H]2COCCN2)CC1 ZINC000422740128 276257263 /nfs/dbraw/zinc/25/72/63/276257263.db2.gz MLXWWFCSCAIWLZ-HOCLYGCPSA-N 2 0 283.460 1.465 10 0 CDAERP CC[N@H+](CCNC(=O)N1CC[NH+]2CCCC[C@@H]2C1)C1CC1 ZINC000105224982 276345932 /nfs/dbraw/zinc/34/59/32/276345932.db2.gz HCADUNJUKMNFOB-OAHLLOKOSA-N 2 0 294.443 1.350 10 0 CDAERP COCCN1CC[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000446888110 277227069 /nfs/dbraw/zinc/22/70/69/277227069.db2.gz DBVOLOHNBCPPBT-HNNXBMFYSA-N 2 0 281.444 1.171 10 0 CDAERP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000348113637 277238189 /nfs/dbraw/zinc/23/81/89/277238189.db2.gz RWSQMDYAPOYAMN-RRFJBIMHSA-N 2 0 295.471 1.988 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000423075188 277259993 /nfs/dbraw/zinc/25/99/93/277259993.db2.gz OAMWSCBEYODHIP-ZFWWWQNUSA-N 2 0 269.433 1.347 10 0 CDAERP CO[C@H](C)C[N@H+](C)[C@@H]1CCC[NH+](C[C@@H](C)OC)CC1 ZINC000360206678 277323542 /nfs/dbraw/zinc/32/35/42/277323542.db2.gz BIVMCDOZTADOFY-RBSFLKMASA-N 2 0 272.433 1.843 10 0 CDAERP CO[C@H](C)C[NH+]1CCC[C@H]([N@@H+](C)C[C@H](C)OC)CC1 ZINC000360206681 277324246 /nfs/dbraw/zinc/32/42/46/277324246.db2.gz BIVMCDOZTADOFY-ZNMIVQPWSA-N 2 0 272.433 1.843 10 0 CDAERP CC(C)C(=O)N1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000250692120 277328405 /nfs/dbraw/zinc/32/84/05/277328405.db2.gz MIMXGUBUEIVEOJ-CVEARBPZSA-N 2 0 293.455 1.850 10 0 CDAERP CC(C)[C@H](O)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000253024992 277925529 /nfs/dbraw/zinc/92/55/29/277925529.db2.gz MRSNPDXFBUBXAW-GBJTYRQASA-N 2 0 254.418 1.904 10 0 CDAERP CC1(C)C[C@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)C(C)(C)O1 ZINC000151330198 278388903 /nfs/dbraw/zinc/38/89/03/278388903.db2.gz CSDVBVDKNPRDPR-KBPBESRZSA-N 2 0 284.444 1.769 10 0 CDAERP CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)[C@H]1C[C@H]1C ZINC000333347978 288065585 /nfs/dbraw/zinc/06/55/85/288065585.db2.gz ZRUUWSFJSOIIKW-QVXJJGPISA-N 2 0 293.455 1.657 10 0 CDAERP C[C@@H]1[C@H](N[C@H]2CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000261554265 279126480 /nfs/dbraw/zinc/12/64/80/279126480.db2.gz UCWDGXKSJVPHPL-VNQPRFMTSA-N 2 0 259.397 1.601 10 0 CDAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CCN(C)C(=O)C1 ZINC000424388777 279367426 /nfs/dbraw/zinc/36/74/26/279367426.db2.gz ZPPHNBHTXMZXOU-KFWWJZLASA-N 2 0 281.444 1.755 10 0 CDAERP O=C(C1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1)N1CCCC1 ZINC000336053102 279740923 /nfs/dbraw/zinc/74/09/23/279740923.db2.gz FOQZDIROKXAWQV-AWEZNQCLSA-N 2 0 279.428 1.320 10 0 CDAERP CC(C)[C@H](O)C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000336847043 280346473 /nfs/dbraw/zinc/34/64/73/280346473.db2.gz SYKGNGKXCKDPHY-QGZVFWFLSA-N 2 0 297.487 1.494 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CC1CC[NH2+]CC1 ZINC000251927444 288308356 /nfs/dbraw/zinc/30/83/56/288308356.db2.gz YLGCVAIJUDHYOF-OCCSQVGLSA-N 2 0 265.401 1.071 10 0 CDAERP CN(C(=O)[C@H]1[NH2+]CCCC1(C)C)C1CC[NH+](C)CC1 ZINC000234320781 281866827 /nfs/dbraw/zinc/86/68/27/281866827.db2.gz HIMBFSGAXDYUNE-CYBMUJFWSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1=O ZINC000422917976 288595270 /nfs/dbraw/zinc/59/52/70/288595270.db2.gz GKYUJVATQWYUGX-XMEMRUQMSA-N 2 0 291.439 1.506 10 0 CDAERP CN(C)c1cc[nH+]cc1C(=O)NCC1([NH+](C)C)CCCC1 ZINC000273546527 289429602 /nfs/dbraw/zinc/42/96/02/289429602.db2.gz GZZMTOXEWBPKJW-UHFFFAOYSA-N 2 0 290.411 1.752 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCSCCCO)[C@@H]2CCC[C@H]21 ZINC000367593055 290219043 /nfs/dbraw/zinc/21/90/43/290219043.db2.gz GENHIGOBZCOXIQ-MELADBBJSA-N 2 0 272.458 1.564 10 0 CDAERP CC[C@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)[C@H]1CC1(C)C ZINC000557256530 290339065 /nfs/dbraw/zinc/33/90/65/290339065.db2.gz GGFURFNERKMCDT-KFWWJZLASA-N 2 0 283.460 1.009 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000557489303 290348446 /nfs/dbraw/zinc/34/84/46/290348446.db2.gz QHUWZEVNLBAIGE-CQSZACIVSA-N 2 0 279.428 1.415 10 0 CDAERP C[NH+](C)[C@H]1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000170832526 292876664 /nfs/dbraw/zinc/87/66/64/292876664.db2.gz GPRPRTUWSVQWFA-AWEZNQCLSA-N 2 0 296.459 1.595 10 0 CDAERP CN(C)c1cc[nH+]cc1C(=O)NCc1ccc(C[NH3+])cc1 ZINC000565000167 293485408 /nfs/dbraw/zinc/48/54/08/293485408.db2.gz KUTAYSWUEFZSNA-UHFFFAOYSA-N 2 0 284.363 1.536 10 0 CDAERP CC(C)OC[C@@H](O)C[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000568620577 294068860 /nfs/dbraw/zinc/06/88/60/294068860.db2.gz MQJOKLRXJLHXHG-AWEZNQCLSA-N 2 0 272.433 1.484 10 0 CDAERP [NH3+]Cc1ccc(CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)cc1 ZINC000568985387 294134562 /nfs/dbraw/zinc/13/45/62/294134562.db2.gz CRRNUNLTCWDDKL-OAGGEKHMSA-N 2 0 287.407 1.682 10 0 CDAERP CCC(C)(C)NC(=O)[C@H](C)N1CC2CCC1(C[NH3+])CC2 ZINC000569000931 294140074 /nfs/dbraw/zinc/14/00/74/294140074.db2.gz QTRYLNCQVSMHBU-FUJMWEONSA-N 2 0 281.444 1.883 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000570810406 294313485 /nfs/dbraw/zinc/31/34/85/294313485.db2.gz NPBGDFQTFZOHEK-FMPXUHTOSA-N 2 0 265.401 1.104 10 0 CDAERP CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000570810405 294313617 /nfs/dbraw/zinc/31/36/17/294313617.db2.gz NPBGDFQTFZOHEK-DNCHLWJUSA-N 2 0 265.401 1.104 10 0 CDAERP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(C)(C)c1cnc[nH]1 ZINC000571156045 294377984 /nfs/dbraw/zinc/37/79/84/294377984.db2.gz OQSXYZGWWRUCHB-LLVKDONJSA-N 2 0 264.373 1.240 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000574517778 295012009 /nfs/dbraw/zinc/01/20/09/295012009.db2.gz AJIMUEJZVFYEKH-GDBMZVCRSA-N 2 0 281.444 1.757 10 0 CDAERP CC(C)[C@@H]([NH3+])CNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000574517879 295012151 /nfs/dbraw/zinc/01/21/51/295012151.db2.gz JEILSCMLGKLOFZ-OLZOCXBDSA-N 2 0 255.406 1.350 10 0 CDAERP C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000574881600 295069893 /nfs/dbraw/zinc/06/98/93/295069893.db2.gz GUQGUNACNXRZPW-ZIAGYGMSSA-N 2 0 273.424 1.857 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CCc3ccccc3[C@@H]2CN)CC[NH2+]1 ZINC000574916698 295076712 /nfs/dbraw/zinc/07/67/12/295076712.db2.gz BUQRUJZNDYNOML-CPUCHLNUSA-N 2 0 273.424 1.933 10 0 CDAERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)CC1 ZINC000575039734 295089608 /nfs/dbraw/zinc/08/96/08/295089608.db2.gz CCBLPDHOKOTPRJ-MWDXBVQZSA-N 2 0 295.471 1.153 10 0 CDAERP [NH3+][C@H]1CCC[C@@H](C(=O)NCC[NH2+]C2CCCCCC2)C1 ZINC000237906354 295335797 /nfs/dbraw/zinc/33/57/97/295335797.db2.gz BIAZHRDAXFIXCJ-KGLIPLIRSA-N 2 0 281.444 1.933 10 0 CDAERP C[C@@]1(C[NH3+])CCN(C(=O)[C@@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000262113192 297891272 /nfs/dbraw/zinc/89/12/72/297891272.db2.gz VUHGRXQHJCSLAA-ZFWWWQNUSA-N 2 0 279.359 1.065 10 0 CDAERP C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(C[NH3+])cc2)C1 ZINC000237425139 298997091 /nfs/dbraw/zinc/99/70/91/298997091.db2.gz DLEPQAQYIXVFMY-FZMZJTMJSA-N 2 0 261.369 1.345 10 0 CDAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000251937659 300319244 /nfs/dbraw/zinc/31/92/44/300319244.db2.gz ZIIQNUFFBFMBCO-SDDRHHMPSA-N 2 0 253.390 1.055 10 0 CDAERP C[C@]1(C[NH3+])CCN(C(=O)[C@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000262113187 300794614 /nfs/dbraw/zinc/79/46/14/300794614.db2.gz VUHGRXQHJCSLAA-UKRRQHHQSA-N 2 0 279.359 1.065 10 0 CDAERP [NH3+]C[C@H]1CCC[C@@H]1NC1CC([NH+]2CCCCC2)C1 ZINC000423096488 303424803 /nfs/dbraw/zinc/42/48/03/303424803.db2.gz PAUPSSCBROSGBR-URGYJCLVSA-N 2 0 251.418 1.720 10 0 CDAERP CCCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001669782856 1173602874 /nfs/dbraw/zinc/60/28/74/1173602874.db2.gz LHUOAAJKMYHDSY-KBPBESRZSA-N 2 0 269.433 1.707 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCc3ccccc3[C@H]2C[NH3+])CC[NH2+]1 ZINC000580076803 324361092 /nfs/dbraw/zinc/36/10/92/324361092.db2.gz GMXPELFMRGHIRV-DUVNUKRYSA-N 2 0 287.407 1.459 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000583193260 325124632 /nfs/dbraw/zinc/12/46/32/325124632.db2.gz QDAFHZLIRNSBRF-RBSFLKMASA-N 2 0 296.459 1.548 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000583563244 325199945 /nfs/dbraw/zinc/19/99/45/325199945.db2.gz JGKLZNNOCUCHBB-ZDEQEGDKSA-N 2 0 270.421 1.236 10 0 CDAERP COCCC[N@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001731791845 1159341630 /nfs/dbraw/zinc/34/16/30/1159341630.db2.gz MGEFCXPFVQEBPA-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP COCC[NH2+]CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001268402323 1159925744 /nfs/dbraw/zinc/92/57/44/1159925744.db2.gz GNOBSORZJWPCNZ-GJZGRUSLSA-N 2 0 299.459 1.382 10 0 CDAERP CCN(CC[NH2+]C[C@@H](C)OC)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001268448792 1159938292 /nfs/dbraw/zinc/93/82/92/1159938292.db2.gz BKLVOTIKHQTIPU-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP C[C@H](C[NH2+]CCCCCF)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001732411284 1160572702 /nfs/dbraw/zinc/57/27/02/1160572702.db2.gz MLHUVTLZMQZUQU-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP Cn1ccnc1[C@@H](NC(=O)CC1([NH3+])CC1)c1ccccc1 ZINC000398180975 482246570 /nfs/dbraw/zinc/24/65/70/482246570.db2.gz NZSDMKZOAZKHMQ-AWEZNQCLSA-N 2 0 284.363 1.507 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000652291879 482459062 /nfs/dbraw/zinc/45/90/62/482459062.db2.gz LMYBMCLOZRSACW-HUUCEWRRSA-N 2 0 290.411 1.475 10 0 CDAERP C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652337172 482462679 /nfs/dbraw/zinc/46/26/79/482462679.db2.gz PCBOHISPCHVMQN-SWLSCSKDSA-N 2 0 287.407 1.418 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2C[C@@]23CCC[NH2+]C3)CC[N@@H+]1C ZINC000655449233 482494964 /nfs/dbraw/zinc/49/49/64/482494964.db2.gz QCOONMXJJRRXAT-IXYNUQLISA-N 2 0 279.428 1.317 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000669520129 482554413 /nfs/dbraw/zinc/55/44/13/482554413.db2.gz DWSHCAYHXKBQTF-DKCNOQQISA-N 2 0 255.749 1.192 10 0 CDAERP C[C@H](NC(=O)NC/C=C\C[NH3+])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000669556027 482675099 /nfs/dbraw/zinc/67/50/99/482675099.db2.gz VHMPJORCGFALQR-PQXPCTDFSA-N 2 0 294.443 1.454 10 0 CDAERP COCC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000684369513 482776506 /nfs/dbraw/zinc/77/65/06/482776506.db2.gz PLVMPSBRLKNMEW-ZIAGYGMSSA-N 2 0 258.406 1.502 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccn(C)c(=O)c2)[C@H](C)C1 ZINC000673714073 482824080 /nfs/dbraw/zinc/82/40/80/482824080.db2.gz BLHLQXHILKGCCR-HIFRSBDPSA-N 2 0 277.412 1.547 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000666930287 483006496 /nfs/dbraw/zinc/00/64/96/483006496.db2.gz VVXJGGCXIXJBDP-CHWSQXEVSA-N 2 0 265.401 1.452 10 0 CDAERP [NH3+]C/C=C\CNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000669423035 483028313 /nfs/dbraw/zinc/02/83/13/483028313.db2.gz OGYZMSXSMRNZKQ-ARJAWSKDSA-N 2 0 294.443 1.455 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000251124435 483035798 /nfs/dbraw/zinc/03/57/98/483035798.db2.gz RXJYMWGRRBEEDS-RDBSUJKOSA-N 2 0 267.417 1.352 10 0 CDAERP CC[NH2+]CCCNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000667148785 483110797 /nfs/dbraw/zinc/11/07/97/483110797.db2.gz XRWJABCCSKKRGV-UHFFFAOYSA-N 2 0 288.355 1.388 10 0 CDAERP C[C@H](CNC(=O)NC/C=C/C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000669474158 483197266 /nfs/dbraw/zinc/19/72/66/483197266.db2.gz MEMFCNNQEIWHEN-PSKZRQQASA-N 2 0 290.411 1.321 10 0 CDAERP C[NH+](C)CCOc1ccc(C[N@H+](C)CCCO)cc1 ZINC000669621485 483237758 /nfs/dbraw/zinc/23/77/58/483237758.db2.gz AIEDPQGKTCODCH-UHFFFAOYSA-N 2 0 266.385 1.441 10 0 CDAERP C[C@@H]1C[C@H](C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)CCO1 ZINC000679331783 483245400 /nfs/dbraw/zinc/24/54/00/483245400.db2.gz AGMGQMDCNHLOSL-ZACQAIPSSA-N 2 0 295.471 1.513 10 0 CDAERP Cc1ncc(C[NH+]2CCC(OCCCO)CC2)n1C ZINC000667673061 483378023 /nfs/dbraw/zinc/37/80/23/483378023.db2.gz PAUXOEMYTACGSE-UHFFFAOYSA-N 2 0 267.373 1.092 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000136356273 483396647 /nfs/dbraw/zinc/39/66/47/483396647.db2.gz OILPCDWHXPXGAE-CYBMUJFWSA-N 2 0 253.390 1.103 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000667743215 483409804 /nfs/dbraw/zinc/40/98/04/483409804.db2.gz CEQRSAQXFWXKFX-OAHLLOKOSA-N 2 0 288.395 1.548 10 0 CDAERP C[NH+]1CCC(C)(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667959018 483494590 /nfs/dbraw/zinc/49/45/90/483494590.db2.gz BHLNZSQYAXFLSP-UONOGXRCSA-N 2 0 252.402 1.875 10 0 CDAERP CN(CC[N@H+](C)C1CC1)Cc1ccnn1-c1cc[nH+]cc1 ZINC000668168362 483594143 /nfs/dbraw/zinc/59/41/43/483594143.db2.gz VMZBPRBTTGXDDY-UHFFFAOYSA-N 2 0 285.395 1.793 10 0 CDAERP C[N@@H+]1CCC[C@@H](N2CC[NH+](CC[C@@H]3CCCCO3)CC2)C1 ZINC000680376891 483602030 /nfs/dbraw/zinc/60/20/30/483602030.db2.gz RKMXIYYZVWPTIQ-SJORKVTESA-N 2 0 295.471 1.657 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CC[C@@H](COC2CC[NH+](C)CC2)O1 ZINC000052596900 519745237 /nfs/dbraw/zinc/74/52/37/519745237.db2.gz BFDJEPNWIULXEV-HOTGVXAUSA-N 2 0 284.444 1.890 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)CN(C)C1CC[NH+](C)CC1 ZINC000052419804 519744431 /nfs/dbraw/zinc/74/44/31/519744431.db2.gz RSEYZUGWYVCLOJ-CQSZACIVSA-N 2 0 255.450 1.894 10 0 CDAERP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001483676788 1161054501 /nfs/dbraw/zinc/05/45/01/1161054501.db2.gz LNBTYVZLQPFBOV-HOCLYGCPSA-N 2 0 289.423 1.890 10 0 CDAERP CC[NH2+]Cc1cn(CC[N@H+](C)C2CCCC2)nn1 ZINC000052444837 520012933 /nfs/dbraw/zinc/01/29/33/520012933.db2.gz XXOIWIORUAZWQE-UHFFFAOYSA-N 2 0 251.378 1.262 10 0 CDAERP CCC[NH2+][C@@](C)(C[C@H](C)N1CCC([NH+](C)C)CC1)C(N)=O ZINC000068625314 520045532 /nfs/dbraw/zinc/04/55/32/520045532.db2.gz RFAINWPIUPKOPF-BBRMVZONSA-N 2 0 298.475 1.035 10 0 CDAERP CCC[NH2+][C@H](C)[C@H](C)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062979373 520063868 /nfs/dbraw/zinc/06/38/68/520063868.db2.gz PLMLQKLXMAACOE-ILXRZTDVSA-N 2 0 253.434 1.933 10 0 CDAERP CCO[C@H](C[NH3+])CC[N@H+](C)C1CCN(CC)CC1 ZINC000062741166 520516197 /nfs/dbraw/zinc/51/61/97/520516197.db2.gz WWZPMIHPYYVFHT-AWEZNQCLSA-N 2 0 257.422 1.156 10 0 CDAERP CCO[C@H](C[NH3+])CC[N@H+](C)Cc1cccc(OC)c1 ZINC000062741010 520516630 /nfs/dbraw/zinc/51/66/30/520516630.db2.gz HONMDMRKBRTZTR-HNNXBMFYSA-N 2 0 266.385 1.881 10 0 CDAERP CC[N@H+](CCF)CCCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001713024454 1178312061 /nfs/dbraw/zinc/31/20/61/1178312061.db2.gz APQYNOYUBSOGAC-ZDUSSCGKSA-N 2 0 273.396 1.126 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@H]1[C@H](C)CCC[C@@H]1[NH3+] ZINC000055139772 521655741 /nfs/dbraw/zinc/65/57/41/521655741.db2.gz XLNKKGOLCLUGSX-RDBSUJKOSA-N 2 0 269.433 1.550 10 0 CDAERP CCCN(CC[NH+](C)C)Cc1cc(C[NH2+]C)no1 ZINC000052544195 521656866 /nfs/dbraw/zinc/65/68/66/521656866.db2.gz LMTUUIZZBKFRRD-UHFFFAOYSA-N 2 0 254.378 1.168 10 0 CDAERP CCCC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001715725804 1179780301 /nfs/dbraw/zinc/78/03/01/1179780301.db2.gz DVYANRSNSBGJHQ-UONOGXRCSA-N 2 0 269.433 1.469 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262426492 535507491 /nfs/dbraw/zinc/50/74/91/535507491.db2.gz VUOPRPNHMBGJIA-IHRRRGAJSA-N 2 0 267.417 1.365 10 0 CDAERP CC[N@H+](C)CCN(C(=O)[C@H]1CC[NH+](C)C1)C(C)C ZINC001725734266 1182115334 /nfs/dbraw/zinc/11/53/34/1182115334.db2.gz ZBKUTADVRRVHHY-ZDUSSCGKSA-N 2 0 255.406 1.127 10 0 CDAERP C[NH2+][C@](C)(C[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1)C(=O)[O-] ZINC000068632290 522523402 /nfs/dbraw/zinc/52/34/02/522523402.db2.gz WYCFFJHKQWOOAT-SWLSCSKDSA-N 2 0 285.432 1.101 10 0 CDAERP CC(C)(C)C1CC[NH+](CC(=O)N2CC[NH2+]CC2)CC1 ZINC000050347113 518608263 /nfs/dbraw/zinc/60/82/63/518608263.db2.gz URSZLWFZPTWLKD-UHFFFAOYSA-N 2 0 267.417 1.176 10 0 CDAERP CC(C)C[C@H](C)OC[C@H](O)C[NH2+][C@@H](C)CC[NH+](C)C ZINC000049557244 519324739 /nfs/dbraw/zinc/32/47/39/519324739.db2.gz HBYYVXQQMHSLIY-SOUVJXGZSA-N 2 0 274.449 1.728 10 0 CDAERP CC(C)[N@@H+]1CC[C@@](C[NH3+])(N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000062978606 519688288 /nfs/dbraw/zinc/68/82/88/519688288.db2.gz RRVZNQKHUNSAPW-IRXDYDNUSA-N 3 0 294.487 1.358 10 0 CDAERP CC(C)C[NH+]1CCN(CC[NH2+][C@@H](C)C2CC2)CC1 ZINC000055075749 519726163 /nfs/dbraw/zinc/72/61/63/519726163.db2.gz KIVDHGXCWPSJDR-AWEZNQCLSA-N 2 0 253.434 1.648 10 0 CDAERP CC(C)C[NH+]1CCN(Cc2ccnc(C(N)=[NH2+])c2)CC1 ZINC000068761859 519727047 /nfs/dbraw/zinc/72/70/47/519727047.db2.gz HAINNXPVBZOMJX-UHFFFAOYSA-N 2 0 275.400 1.139 10 0 CDAERP CC(C)C[NH+]1CCN([C@@H](C)C[NH2+]C[C@H]2CCCO2)CC1 ZINC000055075643 519727404 /nfs/dbraw/zinc/72/74/04/519727404.db2.gz UEDCYGOYFUBZDO-JKSUJKDBSA-N 2 0 283.460 1.417 10 0 CDAERP CC(C)C[NH+]1CCN([C@@H](C)CC[NH2+]C2CC2)CC1 ZINC000055083102 519727514 /nfs/dbraw/zinc/72/75/14/519727514.db2.gz YXAVKYBUUZKJQQ-AWEZNQCLSA-N 2 0 253.434 1.791 10 0 CDAERP CC(C)C[NH+]1CCN([C@H](c2ccco2)[C@@H](C)[NH3+])CC1 ZINC000055077227 519727995 /nfs/dbraw/zinc/72/79/95/519727995.db2.gz XCYHXLNIGPHXBY-HIFRSBDPSA-N 2 0 265.401 1.942 10 0 CDAERP CC(C)C[NH2+]C[C@@]1(CN2CCC[C@@H]2C[NH+](C)C)CCOC1 ZINC000061653489 519745794 /nfs/dbraw/zinc/74/57/94/519745794.db2.gz MJLCFGZLWSDDMC-IAGOWNOFSA-N 2 0 297.487 1.665 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000049560219 519845739 /nfs/dbraw/zinc/84/57/39/519845739.db2.gz OMTDENLISPVYTK-QWHCGFSZSA-N 2 0 267.417 1.365 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[C@H]([NH3+])[C@@H]2C)CC1 ZINC000055141531 519845809 /nfs/dbraw/zinc/84/58/09/519845809.db2.gz KKGFNULSFYGRFS-YUELXQCFSA-N 2 0 281.444 1.741 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H](C)[NH2+]2)CC1 ZINC000049560225 519845974 /nfs/dbraw/zinc/84/59/74/519845974.db2.gz NSUHFVDYUXEKNX-OCCSQVGLSA-N 2 0 267.417 1.508 10 0 CDAERP CCC[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000055146084 519856511 /nfs/dbraw/zinc/85/65/11/519856511.db2.gz XQYNOICLYFJWQS-LSDHHAIUSA-N 2 0 281.444 1.696 10 0 CDAERP CCC[NH+]1CCN(C[C@@]2(C[NH2+]CC)CCCOC2)CC1 ZINC000069051931 519858434 /nfs/dbraw/zinc/85/84/34/519858434.db2.gz HNGAQUWOEBLUKK-INIZCTEOSA-N 2 0 283.460 1.420 10 0 CDAERP CCOCCC[NH2+]C[C@@H](C)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062974633 519897076 /nfs/dbraw/zinc/89/70/76/519897076.db2.gz QKHDZTLKPMHYFJ-SJORKVTESA-N 2 0 297.487 1.951 10 0 CDAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC(N)=O ZINC000054628314 519907676 /nfs/dbraw/zinc/90/76/76/519907676.db2.gz ACOPRUICLNCJMV-YHWZYXNKSA-N 2 0 253.390 1.247 10 0 CDAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCn1cccn1 ZINC000054629791 519908449 /nfs/dbraw/zinc/90/84/49/519908449.db2.gz VUXWCHRIELUQEY-GOOCMWNKSA-N 2 0 262.401 1.878 10 0 CDAERP CCC[NH2+]CC1(C[N@H+](C)C[C@H]2CCCO2)CCOCC1 ZINC000052182976 519910254 /nfs/dbraw/zinc/91/02/54/519910254.db2.gz VJVWBLPJBTXPOL-OAHLLOKOSA-N 2 0 284.444 1.894 10 0 CDAERP CC[NH2+]CCC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000061298484 519916811 /nfs/dbraw/zinc/91/68/11/519916811.db2.gz LNFLIIBYPRGDRB-AWEZNQCLSA-N 2 0 263.385 1.405 10 0 CDAERP CCC[NH2+]C[C@@]1(CN2CCC[C@@H]2C[NH+](C)C)CCOC1 ZINC000061653481 519930039 /nfs/dbraw/zinc/93/00/39/519930039.db2.gz QNNWSBKZUYNOLN-HZPDHXFCSA-N 2 0 283.460 1.419 10 0 CDAERP CC[NH2+]C[C@@H](C(C)C)N(CCOC)[C@@H](C)COC ZINC000052572222 519930541 /nfs/dbraw/zinc/93/05/41/519930541.db2.gz UPRJKLMOFBATSA-KBPBESRZSA-N 2 0 260.422 1.604 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@@H](C[N@@H+]2CCC[C@@H]2CN(C)C)O1 ZINC000061654512 519938927 /nfs/dbraw/zinc/93/89/27/519938927.db2.gz KUZZGQAFTGVZLU-OAGGEKHMSA-N 2 0 283.460 1.560 10 0 CDAERP CCC[NH2+]Cc1ccc(OCCC[NH+](C)C)nc1 ZINC000051549304 519952011 /nfs/dbraw/zinc/95/20/11/519952011.db2.gz TUSQAGAUFNMERM-UHFFFAOYSA-N 2 0 251.374 1.912 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)C[C@@H]2CCCCO2)O1 ZINC000052507611 519954468 /nfs/dbraw/zinc/95/44/68/519954468.db2.gz PMDOWUBYCOGJFM-SOUVJXGZSA-N 2 0 270.417 1.644 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000061227229 519961948 /nfs/dbraw/zinc/96/19/48/519961948.db2.gz PIFSFOKXJRHSKH-ZDUSSCGKSA-N 2 0 257.422 1.467 10 0 CDAERP CC[NH2+]Cc1ccoc1CN1CCC[C@@H]1C[NH+](C)C ZINC000061654463 520011074 /nfs/dbraw/zinc/01/10/74/520011074.db2.gz XRGWZXKOQQJISO-CQSZACIVSA-N 2 0 265.401 1.915 10 0 CDAERP CCC[NH2+][C@@](C)(C[C@@H](C)N(C)CC[NH+]1CCCC1)C(N)=O ZINC000068646225 520041569 /nfs/dbraw/zinc/04/15/69/520041569.db2.gz LOZRQWOYARSFNP-ZBFHGGJFSA-N 2 0 298.475 1.036 10 0 CDAERP CCC[NH2+][C@H](C)[C@@H]1CCC[N@H+](CCCC(=O)NC)C1 ZINC000068815686 520063656 /nfs/dbraw/zinc/06/36/56/520063656.db2.gz YOESECQQKDRFQC-ZIAGYGMSSA-N 2 0 269.433 1.613 10 0 CDAERP CC[NH2+][C@@H]1CCCC[C@@H]1N1CCN(CC[NH+](C)C)CC1 ZINC000061643976 520116582 /nfs/dbraw/zinc/11/65/82/520116582.db2.gz RRRWDTMPOUFDID-CVEARBPZSA-N 2 0 282.476 1.086 10 0 CDAERP CCO[C@@H](C[NH3+])CCN1CC[NH+](C(C)(C)C)CC1 ZINC000062741033 520308763 /nfs/dbraw/zinc/30/87/63/520308763.db2.gz YSUPVKQTHZBVRE-CYBMUJFWSA-N 2 0 257.422 1.156 10 0 CDAERP CC[NH+](CC)CCNC(=O)[C@@H]1CCC[C@@H](C)[C@@H]1[NH3+] ZINC000055122990 520678454 /nfs/dbraw/zinc/67/84/54/520678454.db2.gz UNTSUMFSWQYHEQ-UPJWGTAASA-N 2 0 255.406 1.208 10 0 CDAERP CCCCOCC[NH2+]CCN1CCC[C@@H]1C[NH+](C)C ZINC000061655051 520780527 /nfs/dbraw/zinc/78/05/27/520780527.db2.gz VDPVIRSBAIFJNK-OAHLLOKOSA-N 2 0 271.449 1.419 10 0 CDAERP CC[N@H+](CCC[C@](C)([NH2+]C1CC1)C(N)=O)CC1CC1 ZINC000069239445 521043111 /nfs/dbraw/zinc/04/31/11/521043111.db2.gz LOAMFWLCWPAZBM-HNNXBMFYSA-N 2 0 267.417 1.495 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000236852425 521547624 /nfs/dbraw/zinc/54/76/24/521547624.db2.gz XADHJIGAOKEAAR-UONOGXRCSA-N 2 0 267.417 1.352 10 0 CDAERP C[NH+](C)CCN1CCN(C[C@@](C)([NH3+])c2ccccc2)CC1 ZINC000061652521 521763522 /nfs/dbraw/zinc/76/35/22/521763522.db2.gz UIPNLYCYNFZJBI-QGZVFWFLSA-N 2 0 290.455 1.040 10 0 CDAERP C[NH+](C)CCN1CCN(CCC[NH2+]C2CCCCC2)CC1 ZINC000061655276 521765591 /nfs/dbraw/zinc/76/55/91/521765591.db2.gz YLUZSNHLFYWQEM-UHFFFAOYSA-N 2 0 296.503 1.478 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1[C@]1(C[NH3+])CCCSC1 ZINC000061642785 521874397 /nfs/dbraw/zinc/87/43/97/521874397.db2.gz YMOZJJMQQDSGNQ-OLZOCXBDSA-N 2 0 257.447 1.237 10 0 CDAERP CC[C@H](CC[NH3+])[N@@H+]1CCCN(c2nccn2CC)CC1 ZINC000050607949 522128036 /nfs/dbraw/zinc/12/80/36/522128036.db2.gz KOKKWODTSXODMV-CQSZACIVSA-N 2 0 279.432 1.543 10 0 CDAERP C[NH2+]Cc1cccc(C[NH+](CCOC)CCOC)c1 ZINC000052571378 522128939 /nfs/dbraw/zinc/12/89/39/522128939.db2.gz FIYOSQNFRFORSS-UHFFFAOYSA-N 2 0 266.385 1.501 10 0 CDAERP C[NH2+]Cc1cn(CC[N@H+](C)C2CCC(C)CC2)nn1 ZINC000052345399 522142071 /nfs/dbraw/zinc/14/20/71/522142071.db2.gz IZMIZKUKOMOEQU-UHFFFAOYSA-N 2 0 265.405 1.508 10 0 CDAERP C[NH2+][C@@H](C)c1cnc(N2CC[NH+](C(C)C)CC2)s1 ZINC000054903691 522337516 /nfs/dbraw/zinc/33/75/16/522337516.db2.gz CLGJMJISBNQCMR-NSHDSACASA-N 2 0 268.430 1.954 10 0 CDAERP CC[C@H]([NH3+])[C@@H](c1cnn(C)c1)N1CC[NH+](CC(C)C)CC1 ZINC000055077027 522341408 /nfs/dbraw/zinc/34/14/08/522341408.db2.gz HUZIMTIJQOYLPP-JKSUJKDBSA-N 2 0 293.459 1.472 10 0 CDAERP CC[C@@H](C[NH2+]C1CC1)N1CC[NH+](CC(C)C)CC1 ZINC000055083008 522545274 /nfs/dbraw/zinc/54/52/74/522545274.db2.gz MNZMHYMHAIFJAO-HNNXBMFYSA-N 2 0 253.434 1.791 10 0 CDAERP COCC[N@H+](C)CCn1c(N)[nH+]c2cccc(Cl)c21 ZINC000061379978 523621186 /nfs/dbraw/zinc/62/11/86/523621186.db2.gz URBUGAFCBGTPMM-UHFFFAOYSA-N 2 0 282.775 1.850 10 0 CDAERP COCC[NH+](CCC[C@H]1CCCC[NH2+]1)CCOC ZINC000050953145 523696400 /nfs/dbraw/zinc/69/64/00/523696400.db2.gz ILOTYXUMZWPBSZ-CQSZACIVSA-N 2 0 258.406 1.504 10 0 CDAERP COCC[N@H+](CCN1CCC[NH2+]CC1)[C@@H](C)C1CC1 ZINC000061275540 523698454 /nfs/dbraw/zinc/69/84/54/523698454.db2.gz MCICNWMBKMELCH-AWEZNQCLSA-N 2 0 269.433 1.029 10 0 CDAERP COCC[NH+](CCOC)CC[C@@H]([NH3+])c1cccc(F)c1 ZINC000053984365 523715881 /nfs/dbraw/zinc/71/58/81/523715881.db2.gz NTOBDOHNAMZYIQ-OAHLLOKOSA-N 2 0 284.375 1.810 10 0 CDAERP CN(C(=O)C[N@H+](CCC[NH3+])C1CCCCC1)C1CC1 ZINC000049304138 523814976 /nfs/dbraw/zinc/81/49/76/523814976.db2.gz DWLGHBFKPRZYRF-UHFFFAOYSA-N 2 0 267.417 1.591 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)CC2CC[NH2+]CC2)CC1 ZINC000055077636 523948360 /nfs/dbraw/zinc/94/83/60/523948360.db2.gz GNPFBHACLHMPOX-ZDUSSCGKSA-N 2 0 267.417 1.319 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000055088204 523949060 /nfs/dbraw/zinc/94/90/60/523949060.db2.gz SINYQVIXNCXIDJ-MJBXVCDLSA-N 2 0 267.417 1.447 10 0 CDAERP CC[C@H](C)[NH+]1CCN([C@H]2CCCC[C@@H]2[NH2+]C)CC1 ZINC000055065812 523959356 /nfs/dbraw/zinc/95/93/56/523959356.db2.gz BMQWRFKYWIUAFH-KKUMJFAQSA-N 2 0 253.434 1.933 10 0 CDAERP CC[C@H](C)[NH+]1CCN([C@H](C)C[NH2+]CCCOC)CC1 ZINC000055075296 523959530 /nfs/dbraw/zinc/95/95/30/523959530.db2.gz UZZQWRLTBXEIJS-LSDHHAIUSA-N 2 0 271.449 1.417 10 0 CDAERP C[NH+](C)CCCOC[C@H]1CC[C@@H](C[NH2+]C2CC2)O1 ZINC000052672652 524058294 /nfs/dbraw/zinc/05/82/94/524058294.db2.gz RXUOKDTZTMAVAP-UONOGXRCSA-N 2 0 256.390 1.254 10 0 CDAERP C[C@H](C[NH3+])C[N@@H+]1CCCN(c2ncnc3c2CCC3)CC1 ZINC000061276308 524307375 /nfs/dbraw/zinc/30/73/75/524307375.db2.gz GFVLPDYSMUNBLH-CYBMUJFWSA-N 2 0 289.427 1.072 10 0 CDAERP C[C@@H]1CCC[C@H](C(=O)NCC2CC[NH+](C)CC2)[C@@H]1[NH3+] ZINC000055140191 524346530 /nfs/dbraw/zinc/34/65/30/524346530.db2.gz KAENHXRXSJLPSY-KWCYVHTRSA-N 2 0 267.417 1.208 10 0 CDAERP Cc1ccc(C[N@H+](C)CCN2CCC[NH2+]CC2)cc1 ZINC000061274964 524390663 /nfs/dbraw/zinc/39/06/63/524390663.db2.gz RQZQRZHEKHZVRX-UHFFFAOYSA-N 2 0 261.413 1.722 10 0 CDAERP Cc1cccc(N2CC[NH+](C[C@@H]3CC[C@H](C[NH3+])O3)CC2)c1 ZINC000052418941 524559003 /nfs/dbraw/zinc/55/90/03/524559003.db2.gz HPOSUQAKFBRXBX-SJORKVTESA-N 2 0 289.423 1.623 10 0 CDAERP COc1ncc(C[NH+]2CCC(C[NH+](C)C)CC2)c(C)n1 ZINC000337125078 525008564 /nfs/dbraw/zinc/00/85/64/525008564.db2.gz DRLBYMGGQDPLTD-UHFFFAOYSA-N 2 0 278.400 1.567 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCC[C@@H]1C(=O)NCC1CC[NH+](C)CC1 ZINC000055140187 525088783 /nfs/dbraw/zinc/08/87/83/525088783.db2.gz ZEDBWVSJFZPTPT-XBFCOCLRSA-N 2 0 267.417 1.208 10 0 CDAERP C[C@@H]1C[C@@H](C(=O)NCC(C)(C)C[NH+](C)C)CC[C@@H]1[NH3+] ZINC000055125288 525185682 /nfs/dbraw/zinc/18/56/82/525185682.db2.gz SCNVIJVYJXIQRN-AGIUHOORSA-N 2 0 269.433 1.454 10 0 CDAERP C[C@H](CC(=O)NCC[C@H]1CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC000237635628 526239702 /nfs/dbraw/zinc/23/97/02/526239702.db2.gz KNBIJAHRZRQILP-ZIAGYGMSSA-N 2 0 281.444 1.518 10 0 CDAERP [NH3+]C[C@@H](CN[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000061613700 527202256 /nfs/dbraw/zinc/20/22/56/527202256.db2.gz QUBOUKJRIDSEOQ-GJZGRUSLSA-N 2 0 259.397 1.555 10 0 CDAERP [NH3+]C[C@H]1CC[C@@H](C[NH+]2CCN(c3ccccc3)CC2)O1 ZINC000052417320 527238816 /nfs/dbraw/zinc/23/88/16/527238816.db2.gz CRKVLSJYCZBQLA-CVEARBPZSA-N 2 0 275.396 1.315 10 0 CDAERP NNc1cc(C[N@@H+]2CCCC[C@@H]2CCO)cc[nH+]1 ZINC000052723947 527274607 /nfs/dbraw/zinc/27/46/07/527274607.db2.gz YXPWABACDMYABC-GFCCVEGCSA-N 2 0 250.346 1.104 10 0 CDAERP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)C[C@H]12 ZINC000248637598 527367991 /nfs/dbraw/zinc/36/79/91/527367991.db2.gz QQJSNWGXOVTFBP-DEPYFDJDSA-N 2 0 277.412 1.103 10 0 CDAERP [NH3+][C@@H]1c2ccccc2C[C@H]1N1CC[NH+](CC2CC2)CC1 ZINC000048993060 527376963 /nfs/dbraw/zinc/37/69/63/527376963.db2.gz LUMXKNBSIZEDAH-IAGOWNOFSA-N 2 0 271.408 1.639 10 0 CDAERP [NH3+][C@H]1CCCC[C@H]1C(=O)NCC[NH+]1CCCCCC1 ZINC000055089279 527396413 /nfs/dbraw/zinc/39/64/13/527396413.db2.gz YWRKRWNDHSKSGJ-KGLIPLIRSA-N 2 0 267.417 1.496 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262356645 535081055 /nfs/dbraw/zinc/08/10/55/535081055.db2.gz IBYLFHZXMQKQHE-SOUVJXGZSA-N 2 0 281.444 1.611 10 0 CDAERP CC[N@H+](C)[C@H](C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)c1ccccc1 ZINC000262715330 535763447 /nfs/dbraw/zinc/76/34/47/535763447.db2.gz DLPGARSWIJOVQQ-BMFZPTHFSA-N 2 0 289.423 1.794 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCC(=O)NC1CCCCC1 ZINC000422716501 536595313 /nfs/dbraw/zinc/59/53/13/536595313.db2.gz NHRDSMXIGKUMDV-CQSZACIVSA-N 2 0 285.432 1.169 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCO[C@H](C(C)C)C1 ZINC000423154671 536850468 /nfs/dbraw/zinc/85/04/68/536850468.db2.gz PHPZNXGNLATHSS-ILXRZTDVSA-N 2 0 272.433 1.781 10 0 CDAERP CC[N@H+](C)[C@@H]1CCN(C(=O)N[C@@H](C)C2=CC[NH+](C)CC2)C1 ZINC001680009098 1174520833 /nfs/dbraw/zinc/52/08/33/1174520833.db2.gz KJQLHVHKJCRRAI-DZGCQCFKSA-N 2 0 294.443 1.372 10 0 CDAERP CCOCC[N@H+](C)CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001689813156 1174669471 /nfs/dbraw/zinc/66/94/71/1174669471.db2.gz DWGFSLFAKIMADG-UHFFFAOYSA-N 2 0 297.443 1.089 10 0 CDAERP CC[NH+]1CCN(CCCC[NH2+]Cc2ccoc2)CC1 ZINC000727465527 574584982 /nfs/dbraw/zinc/58/49/82/574584982.db2.gz AIONUJOWMOGOMT-UHFFFAOYSA-N 2 0 265.401 1.787 10 0 CDAERP Cc1cncc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000402590258 574857128 /nfs/dbraw/zinc/85/71/28/574857128.db2.gz DMQGRDYPMUHEMP-UKRRQHHQSA-N 2 0 260.385 1.544 10 0 CDAERP Cc1nccn1CCCC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000732166289 575082558 /nfs/dbraw/zinc/08/25/58/575082558.db2.gz NQZNWCLUYWQWCN-HNNXBMFYSA-N 2 0 290.411 1.667 10 0 CDAERP C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc2c(c1)ncn2C ZINC000774816560 575243944 /nfs/dbraw/zinc/24/39/44/575243944.db2.gz QWAZFFARKWCEAO-RISCZKNCSA-N 2 0 258.369 1.613 10 0 CDAERP CC[C@H](C(=O)NC1CC([NH+](C)C)C1)[NH+](CC)CC ZINC000773488016 575815124 /nfs/dbraw/zinc/81/51/24/575815124.db2.gz OGAUFRBGAOSZGE-WXRRBKDZSA-N 2 0 255.406 1.316 10 0 CDAERP C[NH+](C)CCCN1CCC[C@@]12C[NH+]1CCC2CC1 ZINC000757127705 575931851 /nfs/dbraw/zinc/93/18/51/575931851.db2.gz HVMGTMONDAGNLT-HNNXBMFYSA-N 2 0 251.418 1.498 10 0 CDAERP C[NH+](C)C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000763284323 576729214 /nfs/dbraw/zinc/72/92/14/576729214.db2.gz RKWGIFNUUWUOGE-HNNXBMFYSA-N 2 0 295.471 1.909 10 0 CDAERP C[NH+]1CCC([C@H]2CC[N@H+](CN3CCOC3=S)C2)CC1 ZINC000755780376 576960806 /nfs/dbraw/zinc/96/08/06/576960806.db2.gz XXJUZBHVBDKYDG-ZDUSSCGKSA-N 2 0 283.441 1.225 10 0 CDAERP CC/C=C/CC[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001689887778 1175295299 /nfs/dbraw/zinc/29/52/99/1175295299.db2.gz PIMSTHSGCKCNOT-NFAHFFEMSA-N 2 0 281.444 1.733 10 0 CDAERP CC[N@H+](CCCNC(=O)C[NH+]1CCCC1)CC1CC(C)C1 ZINC001689969886 1175325399 /nfs/dbraw/zinc/32/53/99/1175325399.db2.gz WXBXRDQQEQGKGM-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)CC(C)(C)O)C1 ZINC000872203405 620697324 /nfs/dbraw/zinc/69/73/24/620697324.db2.gz XRBYDJSSJSYUER-ZIAGYGMSSA-N 2 0 272.433 1.076 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H](O)c1c(F)cccc1F ZINC000925765789 617607811 /nfs/dbraw/zinc/60/78/11/617607811.db2.gz FJQZMSAXXIWTBO-GWCFXTLKSA-N 2 0 288.338 1.342 10 0 CDAERP C(C[NH+]1CCCC1)N[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925510012 617407266 /nfs/dbraw/zinc/40/72/66/617407266.db2.gz SJSLEZRYENNUKA-CVEARBPZSA-N 2 0 265.445 1.840 10 0 CDAERP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)c1cnn(C)c1 ZINC000925519464 617430014 /nfs/dbraw/zinc/43/00/14/617430014.db2.gz CSAXFNBYFWWBOF-WCFLWFBJSA-N 2 0 250.390 1.977 10 0 CDAERP CC(C)C(=O)N1CCC([NH2+][C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000925530047 617460258 /nfs/dbraw/zinc/46/02/58/617460258.db2.gz AYPZWZSCCXFFLG-CYBMUJFWSA-N 2 0 267.417 1.364 10 0 CDAERP C[C@@H]1CCC[N@H+](CCN[C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925550989 617498798 /nfs/dbraw/zinc/49/87/98/617498798.db2.gz OTMYYLRFFJAETG-MCIONIFRSA-N 2 0 251.418 1.578 10 0 CDAERP CC1(C)C[C@@H]([NH2+]CCOC[C@H]2CCOC2)C[C@@H]([NH3+])C1 ZINC000925568933 617517572 /nfs/dbraw/zinc/51/75/72/617517572.db2.gz YLZXYDYVQBERPX-MJBXVCDLSA-N 2 0 270.417 1.535 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@@]2(O)CCSC2)C1 ZINC000925623503 617570171 /nfs/dbraw/zinc/57/01/71/617570171.db2.gz SGGIWECCYIVLPW-WZRBSPASSA-N 2 0 258.431 1.350 10 0 CDAERP Cn1nc(C(F)(F)F)cc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000925835901 617865563 /nfs/dbraw/zinc/86/55/63/617865563.db2.gz VATCCXRZJYEQAZ-PSASIEDQSA-N 2 0 276.306 1.656 10 0 CDAERP CC1(C)CC[C@@H]([NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1 ZINC000925858138 617896778 /nfs/dbraw/zinc/89/67/78/617896778.db2.gz SFHNSSOQPWPHEI-OLZOCXBDSA-N 2 0 280.412 1.840 10 0 CDAERP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H](O)CC3(CO)CCCC3)C[C@]2(C)C1 ZINC000933733610 617599464 /nfs/dbraw/zinc/59/94/64/617599464.db2.gz FZNWUNJLLNEDEI-PMPSAXMXSA-N 2 0 296.455 1.174 10 0 CDAERP C[N@@H+]1C[C@@H]2C[NH+](CCCCCCCO)C[C@]2(C)C1 ZINC000933741137 617605965 /nfs/dbraw/zinc/60/59/65/617605965.db2.gz RWJYKWLWSBAZCZ-CABCVRRESA-N 2 0 254.418 1.813 10 0 CDAERP CC1(C)C[C@@H]([NH2+]CCC2(O)CCOCC2)C[C@@H]([NH3+])C1 ZINC000925672151 617632351 /nfs/dbraw/zinc/63/23/51/617632351.db2.gz UNLOJGFDBPQXKM-OLZOCXBDSA-N 2 0 270.417 1.414 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2c(F)cccc2F)C12CCC2 ZINC000925773524 617653156 /nfs/dbraw/zinc/65/31/56/617653156.db2.gz ZHUQDADAMBVXBH-JHJVBQTASA-N 2 0 282.334 1.858 10 0 CDAERP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(=O)[nH]n1 ZINC000925803202 617739408 /nfs/dbraw/zinc/73/94/08/617739408.db2.gz NSPHJGBRVOULCJ-OUAUKWLOSA-N 2 0 250.346 1.078 10 0 CDAERP CCc1cccnc1[C@@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925813164 617759695 /nfs/dbraw/zinc/75/96/95/617759695.db2.gz RTWMXYVEDXBOOC-CYBMUJFWSA-N 2 0 276.428 1.718 10 0 CDAERP CC1(C)[C@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925704285 617775141 /nfs/dbraw/zinc/77/51/41/617775141.db2.gz FPZBPQPZTGXDIE-XQLPTFJDSA-N 3 0 265.445 1.885 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H](N[C@H](C[NH3+])C2CCCC2)C1 ZINC000925705130 617786016 /nfs/dbraw/zinc/78/60/16/617786016.db2.gz HUJUPEFQNGASPM-MGPQQGTHSA-N 2 0 253.434 2.000 10 0 CDAERP CC1(C)C[C@@H](N[C@H]2C[NH2+]CCC2(F)F)C[C@@H]([NH3+])C1 ZINC000925713704 617818330 /nfs/dbraw/zinc/81/83/30/617818330.db2.gz XZTIUYPYQQAURS-VWYCJHECSA-N 2 0 261.360 1.479 10 0 CDAERP CC1(C)[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925714155 617823443 /nfs/dbraw/zinc/82/34/43/617823443.db2.gz WBLHLFNMGLZGEN-IZMFDJJNSA-N 2 0 250.386 1.673 10 0 CDAERP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000925829879 617848727 /nfs/dbraw/zinc/84/87/27/617848727.db2.gz APCLEZOGZOGBFB-DAWVFNFOSA-N 2 0 266.307 1.527 10 0 CDAERP CC[N@@H+]1CC[C@@H](NC[C@]23CCC[C@H]2[NH2+]CC3)[C@@H](C)C1 ZINC000925844102 617877980 /nfs/dbraw/zinc/87/79/80/617877980.db2.gz VYHZQVSXMLZWPT-ZJIFWQFVSA-N 2 0 265.445 1.839 10 0 CDAERP C[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)C1CCOCC1 ZINC000925849422 617886619 /nfs/dbraw/zinc/88/66/19/617886619.db2.gz CQODBMQJOCVZGT-TZMCWYRMSA-N 2 0 296.411 1.076 10 0 CDAERP C[C@@H]1CC2(CC([NH2+]C[C@H]3CCC[N@H+](C)C3)C2)CO1 ZINC000925010650 618766169 /nfs/dbraw/zinc/76/61/69/618766169.db2.gz NAXABAGKNAUXNY-LMRVLLHPSA-N 2 0 252.402 1.875 10 0 CDAERP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccnnc1 ZINC000925042470 618826616 /nfs/dbraw/zinc/82/66/16/618826616.db2.gz VAZALKMRHYAYRV-ZFWWWQNUSA-N 2 0 289.427 1.296 10 0 CDAERP CCC[NH+]1CCC([NH2+]C[C@@H](CC)C(=O)OC)CC1 ZINC000895121597 619317223 /nfs/dbraw/zinc/31/72/23/619317223.db2.gz HTEVMLKCSXOXCM-GFCCVEGCSA-N 2 0 256.390 1.650 10 0 CDAERP CCO[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)C[NH+](C)C ZINC000926964240 621634811 /nfs/dbraw/zinc/63/48/11/621634811.db2.gz WSUSXNVBBFPHDS-QXSJWSMHSA-N 2 0 283.460 1.416 10 0 CDAERP Cn1nccc1[C@H](O)C[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000927132471 621746191 /nfs/dbraw/zinc/74/61/91/621746191.db2.gz VKHSDYRDSSJTPD-UMVBOHGHSA-N 2 0 278.400 1.060 10 0 CDAERP C[C@@H](CNC(=[NH2+])N[C@@H](C)C1CC1)C[NH+]1CCCC1 ZINC000899265016 622129140 /nfs/dbraw/zinc/12/91/40/622129140.db2.gz QHHJVLDWQLTPPN-RYUDHWBXSA-N 2 0 252.406 1.631 10 0 CDAERP C[C@@H](NC(=[NH2+])NCC[NH+]1CCCCCC1)C1CC1 ZINC000899266349 622130770 /nfs/dbraw/zinc/13/07/70/622130770.db2.gz SBTRUUCNRPPDIE-GFCCVEGCSA-N 2 0 252.406 1.775 10 0 CDAERP c1c([C@H]2CCC[NH2+]C2)nnn1C[C@@H]1CCCC[NH2+]C1 ZINC000899742318 622404351 /nfs/dbraw/zinc/40/43/51/622404351.db2.gz VUGPILDNNVGORQ-OLZOCXBDSA-N 2 0 263.389 1.135 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)C12CC[NH+](CC1)C2)c1ccccc1 ZINC000899942633 622563478 /nfs/dbraw/zinc/56/34/78/622563478.db2.gz SREHBUFDFROWMS-HNNXBMFYSA-N 2 0 287.407 1.501 10 0 CDAERP O=C(N1CCC[C@H]([NH+]2CCCC2)CC1)C12CC[NH+](CC1)C2 ZINC000900780447 623470863 /nfs/dbraw/zinc/47/08/63/623470863.db2.gz LMTXVLZDFQMHTB-HNNXBMFYSA-N 2 0 291.439 1.559 10 0 CDAERP CCCCNC(=O)C1CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903431860 625989873 /nfs/dbraw/zinc/98/98/73/625989873.db2.gz YZVAYMSSEMSXII-HIFRSBDPSA-N 2 0 281.444 1.470 10 0 CDAERP CCCNC(=O)C[N@H+](CCC)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903433220 625990604 /nfs/dbraw/zinc/99/06/04/625990604.db2.gz VLUOFFTVGLCAMZ-OLZOCXBDSA-N 2 0 255.406 1.352 10 0 CDAERP CCO[C@@H]1C[C@H]([N@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)C1(C)C ZINC000903439927 625992431 /nfs/dbraw/zinc/99/24/31/625992431.db2.gz QGNNRSQRQLZQAW-ZOBORPQBSA-N 2 0 254.418 1.977 10 0 CDAERP CCO[C@H]1C[C@H]([N@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)C1(C)C ZINC000903439924 625992549 /nfs/dbraw/zinc/99/25/49/625992549.db2.gz QGNNRSQRQLZQAW-RFGFWPKPSA-N 2 0 254.418 1.977 10 0 CDAERP CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903458874 625994285 /nfs/dbraw/zinc/99/42/85/625994285.db2.gz MESVMVVOHMEJOQ-TUVASFSCSA-N 2 0 297.443 1.689 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000903463623 625996249 /nfs/dbraw/zinc/99/62/49/625996249.db2.gz GZXXTMYZWYSMKD-APIJFGDWSA-N 3 0 253.434 1.681 10 0 CDAERP Cc1cc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c(C)nn1 ZINC000903452201 626000713 /nfs/dbraw/zinc/00/07/13/626000713.db2.gz IRXILOYUDPLXCY-OAHLLOKOSA-N 2 0 274.412 1.915 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)C1 ZINC000903454909 626002073 /nfs/dbraw/zinc/00/20/73/626002073.db2.gz NMYKBUBXGGNHQH-MELADBBJSA-N 2 0 289.427 1.920 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@H](C3CCOCC3)C2)C1 ZINC000903457520 626002635 /nfs/dbraw/zinc/00/26/35/626002635.db2.gz VVFLMYIBZQLHCK-AEGPPILISA-N 2 0 252.402 1.862 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCC1CCCC1)C2 ZINC000903493148 626011175 /nfs/dbraw/zinc/01/11/75/626011175.db2.gz VNRKYBCIGIKVFR-LZWOXQAQSA-N 2 0 280.412 1.779 10 0 CDAERP C[C@@H](C(=O)Nc1nccs1)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903497055 626012251 /nfs/dbraw/zinc/01/22/51/626012251.db2.gz OQZBQUKFELCNOB-OUAUKWLOSA-N 2 0 282.413 1.387 10 0 CDAERP C1=CC[C@@H]2C[N@@H+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)C[C@@H]2C1 ZINC000903777378 626090490 /nfs/dbraw/zinc/09/04/90/626090490.db2.gz ATUVNWHISCKHLB-FZKCQIBNSA-N 2 0 262.397 1.653 10 0 CDAERP c1csc(C[C@@H]2CC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)n1 ZINC000903831285 626107645 /nfs/dbraw/zinc/10/76/45/626107645.db2.gz GQNILCRXLVDBNO-NWDGAFQWSA-N 2 0 251.399 1.617 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCS[C@H](C)C2)cnn1C ZINC000903890896 626124665 /nfs/dbraw/zinc/12/46/65/626124665.db2.gz HQRUBOWOMUAVFZ-DGCLKSJQSA-N 2 0 282.457 1.283 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@H+](CCO)C2CCCC2)cnn1C ZINC000903873219 626127488 /nfs/dbraw/zinc/12/74/88/626127488.db2.gz NKRBSDHYTUDNIA-CQSZACIVSA-N 2 0 294.443 1.083 10 0 CDAERP CCO[C@@H]1CCC[N@H+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903873897 626127605 /nfs/dbraw/zinc/12/76/05/626127605.db2.gz NTVTZPTVBBILJH-GDBMZVCRSA-N 2 0 294.443 1.347 10 0 CDAERP CCC(C)(C)[N@H+](C)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903892863 626134898 /nfs/dbraw/zinc/13/48/98/626134898.db2.gz NOPHDTHIDCKNEG-CYBMUJFWSA-N 2 0 266.433 1.966 10 0 CDAERP CCCC(C)(C)[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903897819 626137072 /nfs/dbraw/zinc/13/70/72/626137072.db2.gz HDESYEHYFBAOKJ-LBPRGKRZSA-N 2 0 265.405 1.871 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@H+]2CC[C@H](C(C)C)C2)cnn1C ZINC000903898922 626137665 /nfs/dbraw/zinc/13/76/65/626137665.db2.gz PNJUUFCGTHWOEU-CABCVRRESA-N 2 0 278.444 1.824 10 0 CDAERP Cc1nn(C)c(C)c1C[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903919572 626146641 /nfs/dbraw/zinc/14/66/41/626146641.db2.gz FABXVKVPXVPKRJ-AGUYFDCRSA-N 2 0 262.401 1.657 10 0 CDAERP CCC(CC)[C@H](O)C[NH2+]C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903922655 626147700 /nfs/dbraw/zinc/14/77/00/626147700.db2.gz BJIFZSIIKPKSOU-CZUORRHYSA-N 2 0 296.459 1.233 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)C(C)(C)C)cnn1C ZINC000903931379 626151535 /nfs/dbraw/zinc/15/15/35/626151535.db2.gz CDHIHZLKZNXZSJ-LBPRGKRZSA-N 2 0 252.406 1.576 10 0 CDAERP COC(=O)[C@@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1C ZINC000903932307 626152416 /nfs/dbraw/zinc/15/24/16/626152416.db2.gz ALGUKUKBPNGGNC-LUGNKYPNSA-N 2 0 280.412 1.648 10 0 CDAERP O=C1OCCN1C1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903933829 626152764 /nfs/dbraw/zinc/15/27/64/626152764.db2.gz WKGYRVTVEGJJOO-AGUYFDCRSA-N 2 0 293.411 1.434 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[NH2+]CC2CCC(F)CC2)cnn1C ZINC000903933111 626152821 /nfs/dbraw/zinc/15/28/21/626152821.db2.gz YOTKBLLQUWLPNF-NPCAHTBFSA-N 2 0 296.434 1.964 10 0 CDAERP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903959971 626159818 /nfs/dbraw/zinc/15/98/18/626159818.db2.gz UFFWGMQPXOGGBG-NPYXIHBLSA-N 3 0 277.456 1.983 10 0 CDAERP COc1ccc(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cc1O ZINC000903975094 626169608 /nfs/dbraw/zinc/16/96/08/626169608.db2.gz XHNUTRNEPCASJB-DGCLKSJQSA-N 2 0 264.369 1.736 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000903978271 626169881 /nfs/dbraw/zinc/16/98/81/626169881.db2.gz CRZYJRWSTGPVJM-UXXRCYHCSA-N 3 0 251.418 1.210 10 0 CDAERP CC(=O)Nc1ccccc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903964662 626171510 /nfs/dbraw/zinc/17/15/10/626171510.db2.gz NTUDTRDQEVWIKA-RISCZKNCSA-N 2 0 261.369 1.590 10 0 CDAERP CC(C)C[C@@H]([NH3+])CN[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903969275 626172776 /nfs/dbraw/zinc/17/27/76/626172776.db2.gz FAPJIMOYEKPVIH-KGLIPLIRSA-N 2 0 269.433 1.108 10 0 CDAERP [NH3+]Cc1ccccc1-c1nc(CC2CC[NH2+]CC2)no1 ZINC000905308073 626757731 /nfs/dbraw/zinc/75/77/31/626757731.db2.gz DZOCVCXOPOAVLK-UHFFFAOYSA-N 2 0 272.352 1.737 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@@H]1CC[NH+](C)[C@@H]1C ZINC000905647318 626915463 /nfs/dbraw/zinc/91/54/63/626915463.db2.gz DACDPRRFGZPSKY-JHJVBQTASA-N 2 0 284.473 1.027 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000906651982 627357932 /nfs/dbraw/zinc/35/79/32/627357932.db2.gz FBNQYUCODDBUHI-GOEBONIOSA-N 2 0 293.455 1.804 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000907650886 627764794 /nfs/dbraw/zinc/76/47/94/627764794.db2.gz MQIWSYUDPRDJNB-HUUCEWRRSA-N 2 0 281.444 1.804 10 0 CDAERP C[NH+](C)C1CC(NC(=O)CCCC[NH+]2CCCC2)C1 ZINC000908009958 627970894 /nfs/dbraw/zinc/97/08/94/627970894.db2.gz OLBKKQDRTWHZEA-UHFFFAOYSA-N 2 0 267.417 1.461 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)C[C@]1(O)CCC[NH+](C)C1 ZINC000908256724 628082557 /nfs/dbraw/zinc/08/25/57/628082557.db2.gz GUUBABOVDCZECM-GDBMZVCRSA-N 2 0 299.459 1.070 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)C[C@]1(O)CCC[NH+](C)C1 ZINC000908249321 628094110 /nfs/dbraw/zinc/09/41/10/628094110.db2.gz GUUBABOVDCZECM-GOEBONIOSA-N 2 0 299.459 1.070 10 0 CDAERP C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC000908536156 628254316 /nfs/dbraw/zinc/25/43/16/628254316.db2.gz FFIGAQRTLDOUSZ-HNNXBMFYSA-N 2 0 277.412 1.027 10 0 CDAERP CCC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)N(C)OC)C1 ZINC000788024488 628792818 /nfs/dbraw/zinc/79/28/18/628792818.db2.gz XQHNKKHNSICLAL-CYBMUJFWSA-N 2 0 271.405 1.060 10 0 CDAERP C[NH+]1C[C@]2(C)CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@@]2(C)C1 ZINC000913282759 630433124 /nfs/dbraw/zinc/43/31/24/630433124.db2.gz JXADDPYKPITLIC-NUEKZKHPSA-N 2 0 279.428 1.271 10 0 CDAERP C[NH+]1C[C@]2(C)CN(C(=O)CC3CC[NH+](C)CC3)C[C@@]2(C)C1 ZINC000913282166 630433337 /nfs/dbraw/zinc/43/33/37/630433337.db2.gz ZGLCYDBJHHPGCA-IAGOWNOFSA-N 2 0 293.455 1.519 10 0 CDAERP OCc1c[nH+]ccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000211166564 630735935 /nfs/dbraw/zinc/73/59/35/630735935.db2.gz MAHROSUCCSRPKI-UHFFFAOYSA-N 2 0 283.375 1.896 10 0 CDAERP C[C@@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+]1CCCCC1 ZINC000914294306 631324289 /nfs/dbraw/zinc/32/42/89/631324289.db2.gz XQFYJRUKODTZQL-BFHYXJOUSA-N 2 0 282.432 1.253 10 0 CDAERP C[NH+]1CCC(C[NH2+]Cc2cnn(CCF)c2)CC1 ZINC000921688661 633180293 /nfs/dbraw/zinc/18/02/93/633180293.db2.gz AUEHVFQBZKDWFV-UHFFFAOYSA-N 2 0 254.353 1.284 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCNC(=O)Cc1c[nH]cn1 ZINC001690980342 1158512010 /nfs/dbraw/zinc/51/20/10/1158512010.db2.gz DJJYIFQJCIGASP-LLVKDONJSA-N 2 0 252.362 1.046 10 0 CDAERP C(C[N@@H+]1CCCC2(CC[NH2+]CC2)C1)OC1CCOCC1 ZINC001772537531 1158807743 /nfs/dbraw/zinc/80/77/43/1158807743.db2.gz FMSOXXMTBUXYPJ-UHFFFAOYSA-N 2 0 282.428 1.648 10 0 CDAERP C[C@H](CN[C@@H]1C[C@@H]([NH3+])C12CCC2)[NH+]1CCCCC1 ZINC000405204275 1159260034 /nfs/dbraw/zinc/26/00/34/1159260034.db2.gz CQSYVJUQEYBKIY-MGPQQGTHSA-N 2 0 251.418 1.720 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]CCF ZINC001732707276 1160194667 /nfs/dbraw/zinc/19/46/67/1160194667.db2.gz DMSOWUCKNDMKNC-UONOGXRCSA-N 2 0 287.423 1.561 10 0 CDAERP C[C@H]1C[N@H+](Cc2nc(-c3ccccn3)no2)CC[C@H]1C[NH3+] ZINC000923498832 1161544888 /nfs/dbraw/zinc/54/48/88/1161544888.db2.gz IRZDMNXIYYIENE-RYUDHWBXSA-N 2 0 287.367 1.548 10 0 CDAERP [NH3+]CCCCCCCN1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000866718165 1164813242 /nfs/dbraw/zinc/81/32/42/1164813242.db2.gz YCZSEWAGODVWMQ-HUUCEWRRSA-N 2 0 253.434 1.970 10 0 CDAERP C[N@@H+]1CCC[C@H]2CN(C(=O)CCC34CC(C3)C[NH2+]4)CC[C@H]21 ZINC000870905955 1165230456 /nfs/dbraw/zinc/23/04/56/1165230456.db2.gz AZXFJDHTMZDEKN-KRIMKBQASA-N 2 0 291.439 1.461 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000870943594 1165238159 /nfs/dbraw/zinc/23/81/59/1165238159.db2.gz PXFJGLVUWDJDPV-LVNYTYFRSA-N 2 0 285.391 1.067 10 0 CDAERP [NH3+][C@H]1C[C@H](CNC(=O)C[C@H]2[NH2+]Cc3ccccc32)C1 ZINC000870972535 1165245307 /nfs/dbraw/zinc/24/53/07/1165245307.db2.gz JYQNNRHWBWSKKE-MPKXVKKWSA-N 2 0 259.353 1.075 10 0 CDAERP C[NH2+]C[C@@H](C)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000870993802 1165249315 /nfs/dbraw/zinc/24/93/15/1165249315.db2.gz MVHAZEDCVNMUTM-BXUZGUMPSA-N 2 0 255.406 1.065 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[NH+](C)C(C)(C)CC1 ZINC000871153711 1165270052 /nfs/dbraw/zinc/27/00/52/1165270052.db2.gz SCBSZGQWCCAHSA-UHFFFAOYSA-N 2 0 255.406 1.269 10 0 CDAERP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC000872254388 1165404067 /nfs/dbraw/zinc/40/40/67/1165404067.db2.gz BQHHGBPXQVBSGN-FRRDWIJNSA-N 2 0 293.392 1.115 10 0 CDAERP [NH3+]Cc1ccc(CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)c(F)c1 ZINC000872303339 1165413831 /nfs/dbraw/zinc/41/38/31/1165413831.db2.gz XAPBULJGCRNVAU-XUJVJEKNSA-N 2 0 277.343 1.028 10 0 CDAERP C[NH+](C)CCCCC(=O)NC(C)(C)CCC[NH+](C)C ZINC001628040887 1166033365 /nfs/dbraw/zinc/03/33/65/1166033365.db2.gz SEWQPNAMVTUEKD-UHFFFAOYSA-N 2 0 271.449 1.955 10 0 CDAERP C[NH+](C)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCCC2)C1 ZINC001628064236 1166034879 /nfs/dbraw/zinc/03/48/79/1166034879.db2.gz LWYAYWJOTUKPFY-CYBMUJFWSA-N 2 0 267.417 1.413 10 0 CDAERP CCN1CC[C@@H]1C(=O)N(C)CC[NH+]1CCCCC1 ZINC001631704579 1166297672 /nfs/dbraw/zinc/29/76/72/1166297672.db2.gz QAAFRHADYFCGLA-CYBMUJFWSA-N 2 0 253.390 1.025 10 0 CDAERP CC[NH+](CC)C1CCN(C(=O)[C@H]2CC[N@@H+]2CC)CC1 ZINC001632852158 1166380172 /nfs/dbraw/zinc/38/01/72/1166380172.db2.gz CATWEGNSDLYBSH-CQSZACIVSA-N 2 0 267.417 1.413 10 0 CDAERP O=C(c1ccc2c(c1)C[NH2+]CC2)N1CCC2(CC[NH2+]2)CC1 ZINC001647237232 1168477732 /nfs/dbraw/zinc/47/77/32/1168477732.db2.gz GSVAIRBBHXYOBJ-UHFFFAOYSA-N 2 0 285.391 1.300 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N2CC[NH+](C(C)(C)C)CC2)C[NH2+]1 ZINC001647321491 1168558141 /nfs/dbraw/zinc/55/81/41/1168558141.db2.gz SWFDVUGNGDXFPO-OLZOCXBDSA-N 2 0 282.432 1.253 10 0 CDAERP CN(CC[NH2+]CCC(C)(C)C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001567496771 1168812699 /nfs/dbraw/zinc/81/26/99/1168812699.db2.gz XFCNDPHPUWLAHL-OAHLLOKOSA-N 2 0 295.471 1.812 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1CCC(CC[NH2+]CC)CC1 ZINC001568098981 1169135552 /nfs/dbraw/zinc/13/55/52/1169135552.db2.gz TYPJJXWVAWAVHP-UHFFFAOYSA-N 2 0 283.460 1.957 10 0 CDAERP CCC[NH2+][C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001568110618 1169138492 /nfs/dbraw/zinc/13/84/92/1169138492.db2.gz XZHDDSDMKNOKQG-JOCQHMNTSA-N 2 0 255.406 1.365 10 0 CDAERP C[C@@H]1[C@H](C(=O)N[C@H](C[NH2+]CCC2CC2)C2CC2)CC[N@@H+]1C ZINC001569303633 1169755313 /nfs/dbraw/zinc/75/53/13/1169755313.db2.gz UHKOKMLTWXBPCW-DAXOMENPSA-N 2 0 293.455 1.611 10 0 CDAERP COCCC[N@@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001570181670 1170103839 /nfs/dbraw/zinc/10/38/39/1170103839.db2.gz NZUQKCDHJKFFQZ-HNNXBMFYSA-N 2 0 299.459 1.335 10 0 CDAERP CC(C)[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001662425541 1172548074 /nfs/dbraw/zinc/54/80/74/1172548074.db2.gz SEKCZVGMBSGJGF-KGLIPLIRSA-N 2 0 269.433 1.610 10 0 CDAERP CCC[NH2+]CC1(NC(=O)C[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001665958921 1173092062 /nfs/dbraw/zinc/09/20/62/1173092062.db2.gz FXORKWDEJYZUSM-AWEZNQCLSA-N 2 0 281.444 1.757 10 0 CDAERP CCOCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001666902128 1173205094 /nfs/dbraw/zinc/20/50/94/1173205094.db2.gz DNXUSTDRLDPRGW-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP C[C@@H](C[NH2+]CCC1CC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001666938982 1173211023 /nfs/dbraw/zinc/21/10/23/1173211023.db2.gz PZBWYRAAASVTOC-DZGCQCFKSA-N 2 0 281.444 1.707 10 0 CDAERP C[NH+](C)C1(C(=O)NC/C=C\C[NH2+]CC2CC2)CCC1 ZINC001668860921 1173474025 /nfs/dbraw/zinc/47/40/25/1173474025.db2.gz ZVKQEXZPIRLGGZ-ARJAWSKDSA-N 2 0 265.401 1.143 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]C(C)C ZINC001669207325 1173516869 /nfs/dbraw/zinc/51/68/69/1173516869.db2.gz LSWBKPLHWFPGNS-PSKZRQQASA-N 2 0 267.417 1.531 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC/C=C/C[NH2+]Cc1cncs1 ZINC001669208910 1173518632 /nfs/dbraw/zinc/51/86/32/1173518632.db2.gz WJRRZXQQFBNFEI-SNAWJCMRSA-N 2 0 296.440 1.245 10 0 CDAERP CC(C)=CC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001673876941 1173891451 /nfs/dbraw/zinc/89/14/51/1173891451.db2.gz AFVMILNOKGKQBM-LSDHHAIUSA-N 2 0 293.455 1.873 10 0 CDAERP CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001675565050 1174127638 /nfs/dbraw/zinc/12/76/38/1174127638.db2.gz VKSJMXWLYFQEAQ-PHZGNYQRSA-N 2 0 293.455 1.566 10 0 CDAERP CCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CCCC[NH+](C)C)CCO1 ZINC001675621566 1174133326 /nfs/dbraw/zinc/13/33/26/1174133326.db2.gz PEGUZGJNPYZHEY-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)[NH+](CCNC(=O)CCCn1ccnc1)C(C)C ZINC000122661457 1175243274 /nfs/dbraw/zinc/24/32/74/1175243274.db2.gz YXZUZUDTOCTTGR-UHFFFAOYSA-N 2 0 280.416 1.898 10 0 CDAERP C[NH+](C)CCC(=O)NC1CCC([NH2+]CCCF)CC1 ZINC001690540279 1175491052 /nfs/dbraw/zinc/49/10/52/1175491052.db2.gz HMKRGRPHGGPTKE-UHFFFAOYSA-N 2 0 273.396 1.315 10 0 CDAERP C[C@@H](CCNC(=O)C[NH+]1CCC(C)CC1)[NH2+]CCCF ZINC001690872053 1175596746 /nfs/dbraw/zinc/59/67/46/1175596746.db2.gz LZBCIKCBDICDDJ-AWEZNQCLSA-N 2 0 287.423 1.562 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NCCC[C@H]2CCC[NH+]2CCF)C1 ZINC001690914691 1175608120 /nfs/dbraw/zinc/60/81/20/1175608120.db2.gz JRGJKNPQWRSBLF-GJZGRUSLSA-N 2 0 299.434 1.659 10 0 CDAERP C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H](C[NH2+]CCCF)C1 ZINC001691858186 1175638512 /nfs/dbraw/zinc/63/85/12/1175638512.db2.gz XBTDBBBHDNATKJ-KFWWJZLASA-N 2 0 299.434 1.514 10 0 CDAERP CCOCC[N@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001691998021 1175663811 /nfs/dbraw/zinc/66/38/11/1175663811.db2.gz IUZPZERMVDKLMW-OAHLLOKOSA-N 2 0 299.459 1.143 10 0 CDAERP CCC[NH2+]CC[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001698682800 1175894310 /nfs/dbraw/zinc/89/43/10/1175894310.db2.gz MTOIRIDYEHUSAL-HNNXBMFYSA-N 2 0 293.455 1.711 10 0 CDAERP C[C@H](C[NH2+]CCF)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001698862256 1175968882 /nfs/dbraw/zinc/96/88/82/1175968882.db2.gz XHKICVHDLOZOGD-CYBMUJFWSA-N 2 0 273.396 1.268 10 0 CDAERP CCCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001698890513 1175979142 /nfs/dbraw/zinc/97/91/42/1175979142.db2.gz GHPQFUVBXTZGEB-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C[NH2+]CCF ZINC001698951550 1175993762 /nfs/dbraw/zinc/99/37/62/1175993762.db2.gz ZNGCNAPFKBKUOJ-KBPBESRZSA-N 2 0 299.434 1.514 10 0 CDAERP CCN(CC[NH2+]CC[C@@H](C)F)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001699181646 1176130764 /nfs/dbraw/zinc/13/07/64/1176130764.db2.gz LHYFJXNNMWFCAO-HIFRSBDPSA-N 2 0 299.434 1.514 10 0 CDAERP C[C@H](C[NH2+]C/C=C\Cl)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001699362681 1176317971 /nfs/dbraw/zinc/31/79/71/1176317971.db2.gz FPQWNIYXMIRBEP-VQPUKRSISA-N 2 0 285.819 1.175 10 0 CDAERP CCCCC[NH2+]C[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001699380202 1176339099 /nfs/dbraw/zinc/33/90/99/1176339099.db2.gz CSSUIKCBVLNAQJ-ZIAGYGMSSA-N 2 0 269.433 1.613 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001699596340 1176492391 /nfs/dbraw/zinc/49/23/91/1176492391.db2.gz GKGQUNVVMBXYFI-OAHLLOKOSA-N 2 0 281.444 1.613 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001699748976 1176605715 /nfs/dbraw/zinc/60/57/15/1176605715.db2.gz BRNBKJHDXNXADL-KBPBESRZSA-N 2 0 269.433 1.563 10 0 CDAERP CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001699953669 1176695542 /nfs/dbraw/zinc/69/55/42/1176695542.db2.gz WCJGSMLWPHHCDP-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CCCOC)CC1 ZINC001700204453 1176796815 /nfs/dbraw/zinc/79/68/15/1176796815.db2.gz YAPZZEJRTGTJEG-OAHLLOKOSA-N 2 0 299.459 1.335 10 0 CDAERP CC(C)[NH2+][C@@H](C)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001700405875 1176909540 /nfs/dbraw/zinc/90/95/40/1176909540.db2.gz UEHAZVGNUAMXFY-STQMWFEESA-N 2 0 267.417 1.506 10 0 CDAERP CCC[NH2+]CCC[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001700681636 1177073303 /nfs/dbraw/zinc/07/33/03/1177073303.db2.gz NQEQEKQGXSABFR-ZIAGYGMSSA-N 2 0 269.433 1.613 10 0 CDAERP O=C(NC[C@H]1C[C@H]([NH2+]CCCF)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001707083204 1177943761 /nfs/dbraw/zinc/94/37/61/1177943761.db2.gz PUNYLAZYYPFHDM-QEJZJMRPSA-N 2 0 297.418 1.172 10 0 CDAERP CC[N@H+](CCCF)CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001707452604 1178054608 /nfs/dbraw/zinc/05/46/08/1178054608.db2.gz SWISTUURJSEOMR-HNNXBMFYSA-N 2 0 299.434 1.516 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C[C@@H](C)OC ZINC001713013359 1178302505 /nfs/dbraw/zinc/30/25/05/1178302505.db2.gz URIXOIIRRDRMES-RBSFLKMASA-N 2 0 299.459 1.190 10 0 CDAERP CC[N@H+](CCCNC(=O)COC1CC[NH+](C)CC1)C1CC1 ZINC001713047137 1178329303 /nfs/dbraw/zinc/32/93/03/1178329303.db2.gz GQSZGJODTLZFHX-UHFFFAOYSA-N 2 0 297.443 1.088 10 0 CDAERP CCOCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001713353666 1178516786 /nfs/dbraw/zinc/51/67/86/1178516786.db2.gz VYWKTJDVPWJALT-LSDHHAIUSA-N 2 0 299.459 1.047 10 0 CDAERP CN(CC[NH2+]C/C=C/Cl)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001713643243 1178693455 /nfs/dbraw/zinc/69/34/55/1178693455.db2.gz FHBDHFGKGMCCOI-CSNMRHKHSA-N 2 0 299.846 1.804 10 0 CDAERP CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C(C)C ZINC001713915010 1178840720 /nfs/dbraw/zinc/84/07/20/1178840720.db2.gz HVDHNQNVEPVCKF-BETUJISGSA-N 2 0 253.390 1.022 10 0 CDAERP C[NH+](C)C1(C(=O)N2CCCC[C@H]2C[NH2+]CCCF)CCC1 ZINC001714129507 1178986433 /nfs/dbraw/zinc/98/64/33/1178986433.db2.gz JBZKPTLNXKOADD-AWEZNQCLSA-N 2 0 299.434 1.801 10 0 CDAERP C[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]CCC3CC3)C2)CC1 ZINC001714363585 1179106741 /nfs/dbraw/zinc/10/67/41/1179106741.db2.gz CEZDBDNTHNOIAL-HNNXBMFYSA-N 2 0 293.455 1.566 10 0 CDAERP CCOCC[NH2+]CCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001714725055 1179359518 /nfs/dbraw/zinc/35/95/18/1179359518.db2.gz RGLFUUSNMZJDCP-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@@H](C(=O)N(C)CC[NH2+]Cc1cncs1)[NH+](C)C ZINC001714783507 1179395910 /nfs/dbraw/zinc/39/59/10/1179395910.db2.gz KTOBALCJMWFZMH-LBPRGKRZSA-N 2 0 284.429 1.031 10 0 CDAERP CCOCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001714876576 1179433981 /nfs/dbraw/zinc/43/39/81/1179433981.db2.gz AMFUUKYHLLNCPS-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]C/C=C/Cl ZINC001715075111 1179540420 /nfs/dbraw/zinc/54/04/20/1179540420.db2.gz WFGTYTVWZNFIOG-OKPNEXGHSA-N 2 0 261.797 1.175 10 0 CDAERP CC(C)C[NH2+]C/C=C\CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001715833667 1179856111 /nfs/dbraw/zinc/85/61/11/1179856111.db2.gz OKCSGVQEQLWWBL-ARJAWSKDSA-N 2 0 293.455 1.780 10 0 CDAERP O=C(C[NH+]1CCCC1)NC/C=C\C[NH2+]Cc1ccsc1 ZINC001715909412 1179907968 /nfs/dbraw/zinc/90/79/68/1179907968.db2.gz QFWAJQBNOFCUFF-UPHRSURJSA-N 2 0 293.436 1.606 10 0 CDAERP C[C@H](C[NH2+]C/C=C\Cl)NC(=O)C[NH+]1CCC(C)CC1 ZINC001715952914 1179937977 /nfs/dbraw/zinc/93/79/77/1179937977.db2.gz LSNKNHYDQMYKCR-ACVFHECNSA-N 2 0 287.835 1.565 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCF ZINC001715983517 1179963875 /nfs/dbraw/zinc/96/38/75/1179963875.db2.gz QADJCXVRJQDIJC-STQMWFEESA-N 2 0 273.396 1.171 10 0 CDAERP CC[C@H](C)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001716277737 1180137945 /nfs/dbraw/zinc/13/79/45/1180137945.db2.gz SYWLFQBXNCJJGZ-LAWSMPECSA-N 2 0 267.417 1.389 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001716412640 1180193802 /nfs/dbraw/zinc/19/38/02/1180193802.db2.gz KCXKTDTWJGAZTN-CHWSQXEVSA-N 2 0 289.439 1.807 10 0 CDAERP CC/C=C/CC[NH2+]C[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001716437683 1180209110 /nfs/dbraw/zinc/20/91/10/1180209110.db2.gz UKRSPSPLFMHQOC-QNKPMFPBSA-N 2 0 293.455 1.779 10 0 CDAERP CC[C@H](C)C[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001716541701 1180277448 /nfs/dbraw/zinc/27/74/48/1180277448.db2.gz FJRARVPYGMQALW-RRFJBIMHSA-N 2 0 283.460 1.811 10 0 CDAERP CCCC[NH2+][C@H](C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001717434232 1180670288 /nfs/dbraw/zinc/67/02/88/1180670288.db2.gz CZWWCJTWHBTZNZ-OLZOCXBDSA-N 2 0 267.417 1.365 10 0 CDAERP CC[N@@H+]1CCCCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001717540563 1180729177 /nfs/dbraw/zinc/72/91/77/1180729177.db2.gz QIONHTXRWVNZPB-AWEZNQCLSA-N 2 0 267.417 1.463 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CCC([N@H+](C)CCF)CC1 ZINC001717705160 1180797345 /nfs/dbraw/zinc/79/73/45/1180797345.db2.gz IJSXAPSRECXLFE-UHFFFAOYSA-N 2 0 287.423 1.611 10 0 CDAERP CC[C@@H](F)C[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001723194495 1181524454 /nfs/dbraw/zinc/52/44/54/1181524454.db2.gz NIEMRCSLUNLDCT-CHWSQXEVSA-N 2 0 273.396 1.124 10 0 CDAERP CC[C@@H](C(=O)NC[C@H]1CC[N@@H+]1C(C)C)[NH+](CC)CC ZINC001723458647 1181566762 /nfs/dbraw/zinc/56/67/62/1181566762.db2.gz SNNUXBAFKRTUIA-KGLIPLIRSA-N 2 0 269.433 1.706 10 0 CDAERP C[N@H+](CC(=O)NC1CC(C[NH2+]CCCF)C1)C1CCC1 ZINC001725064969 1181841667 /nfs/dbraw/zinc/84/16/67/1181841667.db2.gz YVGVLZDYKIDORK-UHFFFAOYSA-N 2 0 285.407 1.315 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC1CCC1 ZINC001725520619 1182034842 /nfs/dbraw/zinc/03/48/42/1182034842.db2.gz NRTJKJWFLPFISE-JSGCOSHPSA-N 2 0 267.417 1.175 10 0 CDAERP COCC[NH2+]C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001725754067 1182121214 /nfs/dbraw/zinc/12/12/14/1182121214.db2.gz ZAVAFLCQULAOBQ-KGLIPLIRSA-N 2 0 299.459 1.095 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001731282854 1182292938 /nfs/dbraw/zinc/29/29/38/1182292938.db2.gz LLOPFQFWUMZUIV-CHWSQXEVSA-N 2 0 273.396 1.124 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001731445458 1182390905 /nfs/dbraw/zinc/39/09/05/1182390905.db2.gz NOPBKVZDEFOVSK-JOCQHMNTSA-N 2 0 267.417 1.508 10 0 CDAERP CC(C)C[NH2+][C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001731631969 1182491371 /nfs/dbraw/zinc/49/13/71/1182491371.db2.gz AYNGNSPBQAMMFM-CHWSQXEVSA-N 2 0 255.406 1.079 10 0 CDAERP CCCCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001731763340 1182554986 /nfs/dbraw/zinc/55/49/86/1182554986.db2.gz MNIFXCMMIIEQFE-ZIAGYGMSSA-N 2 0 269.433 1.613 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001731860790 1182632565 /nfs/dbraw/zinc/63/25/65/1182632565.db2.gz NWNBEINITZYCMX-MSNYOWOLSA-N 2 0 293.455 1.733 10 0 CDAERP CCCCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001731860093 1182633231 /nfs/dbraw/zinc/63/32/31/1182633231.db2.gz IFKQSNONKDQJRE-CABCVRRESA-N 2 0 281.444 1.566 10 0 CDAERP CCC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001732220289 1182865170 /nfs/dbraw/zinc/86/51/70/1182865170.db2.gz FBXBRJLAEMPFFF-UONOGXRCSA-N 2 0 269.433 1.755 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001732370252 1182932157 /nfs/dbraw/zinc/93/21/57/1182932157.db2.gz PPSNLJXLXDSVBU-KBPBESRZSA-N 2 0 269.433 1.326 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCCOC)[C@@H](C)C1 ZINC001732495692 1182989259 /nfs/dbraw/zinc/98/92/59/1182989259.db2.gz OAYRRPQDXKOKRQ-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001732513731 1182993450 /nfs/dbraw/zinc/99/34/50/1182993450.db2.gz GKOSZQOQLAVXMP-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP CCN(CC[NH2+]CCCF)C(=O)C1CC[NH+](C)CC1 ZINC001732792549 1183126727 /nfs/dbraw/zinc/12/67/27/1183126727.db2.gz AICFCAKCGPSVKE-UHFFFAOYSA-N 2 0 273.396 1.126 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC/C=C/C[NH2+]C/C=C/Cl ZINC001732860663 1183162619 /nfs/dbraw/zinc/16/26/19/1183162619.db2.gz PFOKKQDZDXJSRF-RNAVAMEMSA-N 2 0 299.846 1.875 10 0 CDAERP CC[C@@H](C)C[NH2+]C/C=C\CNC(=O)C12CCC[NH+]1CCC2 ZINC001732873573 1183165777 /nfs/dbraw/zinc/16/57/77/1183165777.db2.gz LWOLMBFOUGRMFE-FOSCPCJNSA-N 2 0 293.455 1.923 10 0 CDAERP Cc1c(C(=O)NC/C=C\C[NH2+]CCF)ccc2c[nH+]cn21 ZINC001732870941 1183166550 /nfs/dbraw/zinc/16/65/50/1183166550.db2.gz PXOGQRFNDDEJQU-IHWYPQMZSA-N 2 0 290.342 1.488 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001732971300 1183212614 /nfs/dbraw/zinc/21/26/14/1183212614.db2.gz QFJNRETXYFJLRW-XQQFMLRXSA-N 2 0 257.422 1.467 10 0 CDAERP CC(C)C[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001733066657 1183273871 /nfs/dbraw/zinc/27/38/71/1183273871.db2.gz JALHYRYOYXKDLJ-CYBMUJFWSA-N 2 0 255.406 1.175 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001733182601 1183321188 /nfs/dbraw/zinc/32/11/88/1183321188.db2.gz HTGYLQDKTADREX-GOEBONIOSA-N 2 0 295.471 1.859 10 0 CDAERP CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CCCC1 ZINC001733377648 1183412961 /nfs/dbraw/zinc/41/29/61/1183412961.db2.gz PCAFILHJYHPDBE-GJZGRUSLSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]CCF)C1CC1 ZINC001734300227 1183719336 /nfs/dbraw/zinc/71/93/36/1183719336.db2.gz IHIAQDWLZJSTEU-GJZGRUSLSA-N 2 0 299.434 1.655 10 0 CDAERP C[C@@H]1[C@@H]([NH2+]CCCF)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001734399036 1183762409 /nfs/dbraw/zinc/76/24/09/1183762409.db2.gz FTAGHIBSOUANJF-CABCVRRESA-N 2 0 299.434 1.657 10 0 CDAERP CC[N@@H+]1CC[C@]2(NC(=O)CCCC[NH+](C)C)CCC[C@@H]12 ZINC001734442989 1183780268 /nfs/dbraw/zinc/78/02/68/1183780268.db2.gz RXPVOFKQQXOSFU-GDBMZVCRSA-N 2 0 281.444 1.851 10 0 CDAERP CC[NH2+]C1CC(N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001734601361 1183841162 /nfs/dbraw/zinc/84/11/62/1183841162.db2.gz JCBYZMUCHPWXPC-UHFFFAOYSA-N 2 0 255.406 1.317 10 0 CDAERP [NH3+]CCOc1cccc(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC001771738461 1186853383 /nfs/dbraw/zinc/85/33/83/1186853383.db2.gz AWZZXDFWAHKBPZ-ZIAGYGMSSA-N 2 0 277.368 1.480 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])N2CC[C@H](CC)C2)C1 ZINC000864456810 1164546193 /nfs/dbraw/zinc/54/61/93/1164546193.db2.gz MZMYXEQUVYOPGZ-KBPBESRZSA-N 2 0 266.433 1.975 10 0 CDAERP CC[C@@H]1CCN(C(=[NH2+])NCC[N@H+](CC)C2CC2)C1 ZINC000864457472 1164546495 /nfs/dbraw/zinc/54/64/95/1164546495.db2.gz TWXFUIJAMTYPNK-GFCCVEGCSA-N 2 0 252.406 1.727 10 0 CDAERP CC[N@@H+]1CC[C@@H](N[C@H]2CC[NH+](CC(C)(C)O)C2)[C@@H](C)C1 ZINC000866411486 1164779254 /nfs/dbraw/zinc/77/92/54/1164779254.db2.gz NHMZKJWMXFDWCC-SOUVJXGZSA-N 2 0 283.460 1.152 10 0 CDAERP CC1CCN(C(=O)C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)CC1 ZINC000866704189 1164811676 /nfs/dbraw/zinc/81/16/76/1164811676.db2.gz RQWBYWJGPKBRMQ-KRWDZBQOSA-N 2 0 295.471 1.942 10 0 CDAERP C[N@@H+]1CC[C@H]2CN(CCCCCCC[NH3+])CC[C@H]21 ZINC000866703486 1164812319 /nfs/dbraw/zinc/81/23/19/1164812319.db2.gz JTFDFFKQYVLTPA-LSDHHAIUSA-N 2 0 253.434 1.922 10 0 CDAERP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000866710881 1164812738 /nfs/dbraw/zinc/81/27/38/1164812738.db2.gz WXDNVOIIKDTZRJ-MELADBBJSA-N 2 0 279.384 1.044 10 0 CDAERP CCCCOCC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870021921 1165133358 /nfs/dbraw/zinc/13/33/58/1165133358.db2.gz VKPGMZQWPNJTHB-HUUCEWRRSA-N 2 0 299.459 1.001 10 0 CDAERP C[NH+](C)C[C@@H]1CN(C(=O)C2CC=CC2)C[C@H]1C[NH+](C)C ZINC000870021600 1165133411 /nfs/dbraw/zinc/13/34/11/1165133411.db2.gz QIXVZOFEWQVKLP-HUUCEWRRSA-N 2 0 279.428 1.150 10 0 CDAERP C[C@@H]([NH2+]C1CC1)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000870990673 1165249241 /nfs/dbraw/zinc/24/92/41/1165249241.db2.gz AUPGQUAJOMDPFU-IAQYHMDHSA-N 2 0 267.417 1.350 10 0 CDAERP C[NH+](C)C[C@@]1(O)CCCN(C2CC(OC(C)(C)C)C2)C1 ZINC000878865626 1166260198 /nfs/dbraw/zinc/26/01/98/1166260198.db2.gz LWYXJKWNUBUCQD-XUJLQICISA-N 2 0 284.444 1.721 10 0 CDAERP C[C@H](C[N@H+](C)CC1CC1)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001569138902 1167553096 /nfs/dbraw/zinc/55/30/96/1167553096.db2.gz XRJNQUOOXSWZLX-QWHCGFSZSA-N 2 0 267.417 1.175 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)CCC1CC1 ZINC001570701959 1167584920 /nfs/dbraw/zinc/58/49/20/1167584920.db2.gz IMINHTDLBRDTNN-OCCSQVGLSA-N 2 0 267.417 1.317 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C ZINC001566115753 1168238849 /nfs/dbraw/zinc/23/88/49/1168238849.db2.gz OWFZANFFIAASHM-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]CCOC ZINC001566535993 1168322441 /nfs/dbraw/zinc/32/24/41/1168322441.db2.gz YOFCZLKKDSQTTD-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCCF)C1 ZINC001566855169 1168446449 /nfs/dbraw/zinc/44/64/49/1168446449.db2.gz VGDZKGHRSPSAPJ-QLFBSQMISA-N 2 0 299.434 1.846 10 0 CDAERP CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001272299911 912728855 /nfs/dbraw/zinc/72/88/55/912728855.db2.gz DLCBMMDYTUJFBX-CABCVRRESA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)C[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001567198816 1168616190 /nfs/dbraw/zinc/61/61/90/1168616190.db2.gz PASIOFBHBDGRID-CQSZACIVSA-N 2 0 269.433 1.517 10 0 CDAERP CC(C)=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001272382797 912982607 /nfs/dbraw/zinc/98/26/07/912982607.db2.gz AYZZJMJHXKCWKQ-CVEARBPZSA-N 2 0 293.455 1.875 10 0 CDAERP CCC[N@H+](C)CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001567324483 1168680251 /nfs/dbraw/zinc/68/02/51/1168680251.db2.gz PYHLHBJDEKVIHN-CHWSQXEVSA-N 2 0 255.406 1.317 10 0 CDAERP CC[N@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001266362472 894570637 /nfs/dbraw/zinc/57/06/37/894570637.db2.gz JMZQMNFXHGHDQO-CYBMUJFWSA-N 2 0 255.406 1.175 10 0 CDAERP CC(C)=CC[NH+]1CCC[C@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001266482868 895030785 /nfs/dbraw/zinc/03/07/85/895030785.db2.gz KGLBZHMNZZDNLN-HOTGVXAUSA-N 2 0 293.455 1.875 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)CC1CC1 ZINC001480880630 895165569 /nfs/dbraw/zinc/16/55/69/895165569.db2.gz VUEWUDMQONSFRZ-CABCVRRESA-N 2 0 279.428 1.461 10 0 CDAERP [NH3+]CC1CC[NH+](C[C@H]2CC[C@@H](C(F)(F)F)O2)CC1 ZINC000721445632 895569996 /nfs/dbraw/zinc/56/99/96/895569996.db2.gz PVKBKSXQOXUJRG-MNOVXSKESA-N 2 0 266.307 1.767 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000721475556 895895012 /nfs/dbraw/zinc/89/50/12/895895012.db2.gz ADNZWZMPIDMGOZ-QWRGUYRKSA-N 2 0 284.322 1.264 10 0 CDAERP CCc1nn(C)cc1C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723900223 896259443 /nfs/dbraw/zinc/25/94/43/896259443.db2.gz JGBWEAHUJQPWQR-VXGBXAGGSA-N 2 0 250.390 1.399 10 0 CDAERP CCc1noc(C)c1C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723901889 896261114 /nfs/dbraw/zinc/26/11/14/896261114.db2.gz SETRNKYCCMBCSZ-ZYHUDNBSSA-N 2 0 251.374 1.962 10 0 CDAERP CCCC[NH2+]C[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001266881058 896272494 /nfs/dbraw/zinc/27/24/94/896272494.db2.gz RZPCHQVRDYUNTD-OAHLLOKOSA-N 2 0 293.455 1.853 10 0 CDAERP CC(C)[NH2+][C@H](C)CCNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001267153617 896936985 /nfs/dbraw/zinc/93/69/85/896936985.db2.gz MNRKFMCWTUHZBZ-HIFRSBDPSA-N 2 0 267.417 1.365 10 0 CDAERP Cn1nccc1CC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693697832 897187076 /nfs/dbraw/zinc/18/70/76/897187076.db2.gz SKRPKLWYYONKAU-HZSPNIEDSA-N 2 0 262.401 1.329 10 0 CDAERP CC[N@H+](CCNC(=O)C[NH+]1CCCC1)CC1CC(C)(C)C1 ZINC001481016727 898500841 /nfs/dbraw/zinc/50/08/41/898500841.db2.gz RAXYKMZOCFESAT-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CC[C@H](C)C[N@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)C1CC1 ZINC001481186318 899085436 /nfs/dbraw/zinc/08/54/36/899085436.db2.gz OTIWOLLNCUZSCC-GJZGRUSLSA-N 2 0 295.471 1.955 10 0 CDAERP Cc1ccccc1C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001481216231 899403564 /nfs/dbraw/zinc/40/35/64/899403564.db2.gz VWCZJTCSFNQXPH-MRXNPFEDSA-N 2 0 289.423 1.637 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001267748774 899563802 /nfs/dbraw/zinc/56/38/02/899563802.db2.gz BLIOAUSOCCNGQG-XETQRACLSA-N 2 0 293.455 1.875 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001267750831 899588368 /nfs/dbraw/zinc/58/83/68/899588368.db2.gz OFGGOTUMEBNVDB-HUUCEWRRSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CC=C(C)C ZINC001267806780 899779306 /nfs/dbraw/zinc/77/93/06/899779306.db2.gz ZVRABRSNBLNIRA-JKSUJKDBSA-N 2 0 293.455 1.779 10 0 CDAERP CCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001267987119 900198261 /nfs/dbraw/zinc/19/82/61/900198261.db2.gz REHOUQCWSHPNOG-TZMCWYRMSA-N 2 0 267.417 1.080 10 0 CDAERP O[C@H](C[NH2+]C[C@H]1CC[C@H](C(F)(F)F)O1)C[NH+]1CCCC1 ZINC000722400630 901331093 /nfs/dbraw/zinc/33/10/93/901331093.db2.gz JVEXLEGXSJSHFC-IJLUTSLNSA-N 2 0 296.333 1.143 10 0 CDAERP CC1(C)CC(NC(=O)CC[N@@H+]2CC[C@H](F)C2)CC(C)(C)[NH2+]1 ZINC001417602456 901627113 /nfs/dbraw/zinc/62/71/13/901627113.db2.gz CHQAEMWAZZSXQK-LBPRGKRZSA-N 2 0 299.434 1.846 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](C[C@@H]2CCCCO2)C1)[NH+](C)C ZINC001481690106 901800473 /nfs/dbraw/zinc/80/04/73/901800473.db2.gz IOIABERXRQSDRF-SOUVJXGZSA-N 2 0 297.443 1.086 10 0 CDAERP CC[C@@H](F)C[NH2+][C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001422019946 902023583 /nfs/dbraw/zinc/02/35/83/902023583.db2.gz BEEZRKVAWYIBSI-MCIONIFRSA-N 2 0 287.423 1.655 10 0 CDAERP CCC[NH2+]CCN(CC)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001497466115 902188574 /nfs/dbraw/zinc/18/85/74/902188574.db2.gz QEDRPAJKVSVROU-LSDHHAIUSA-N 2 0 281.444 1.851 10 0 CDAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCC(C)C ZINC001481874586 902248094 /nfs/dbraw/zinc/24/80/94/902248094.db2.gz HNBUFQNWRXEJHL-KBPBESRZSA-N 2 0 269.433 1.469 10 0 CDAERP CCN(CC[NH2+]CCC(C)C)C(=O)C[NH+]1CCCC1 ZINC001268497504 902389480 /nfs/dbraw/zinc/38/94/80/902389480.db2.gz CTWSQGKXYZJANL-UHFFFAOYSA-N 2 0 269.433 1.566 10 0 CDAERP CC[NH2+]CC[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001481981877 902432074 /nfs/dbraw/zinc/43/20/74/902432074.db2.gz AJONMKODWZKJCD-ZDUSSCGKSA-N 2 0 255.406 1.176 10 0 CDAERP CC[NH2+]CCC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001482003079 902460240 /nfs/dbraw/zinc/46/02/40/902460240.db2.gz ZRRIKGPFWKCEMU-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP CCCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001498355347 902539645 /nfs/dbraw/zinc/53/96/45/902539645.db2.gz LHUOAAJKMYHDSY-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP COC[C@@H](C)[NH2+]C/C=C/CNC(=O)CC1CC[NH+](C)CC1 ZINC001268594190 902717896 /nfs/dbraw/zinc/71/78/96/902717896.db2.gz AKVZUPMKXLVBRC-ISZGNANSSA-N 2 0 297.443 1.015 10 0 CDAERP CCC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC1 ZINC001269072033 903392168 /nfs/dbraw/zinc/39/21/68/903392168.db2.gz VXUNDBZNFVJXQI-SOUVJXGZSA-N 2 0 281.444 1.611 10 0 CDAERP CCCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001269085493 903405569 /nfs/dbraw/zinc/40/55/69/903405569.db2.gz UKVVOHFTIIJFNN-HUUCEWRRSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001269297463 903667716 /nfs/dbraw/zinc/66/77/16/903667716.db2.gz YVCQDCWFLNEECQ-CQSZACIVSA-N 2 0 269.433 1.515 10 0 CDAERP CN(CC[N@H+](C)C1CC1)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001362618312 903890603 /nfs/dbraw/zinc/89/06/03/903890603.db2.gz SHGQJHZLQQMHJK-ZFWWWQNUSA-N 2 0 281.444 1.659 10 0 CDAERP CC(C)C(=O)NC[C@H]1CCC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261950854 904545147 /nfs/dbraw/zinc/54/51/47/904545147.db2.gz FXNVRBFDNLXANR-GDBMZVCRSA-N 2 0 281.444 1.470 10 0 CDAERP CC(C)OCC[NH2+]C[C@H](C)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001482291708 904671382 /nfs/dbraw/zinc/67/13/82/904671382.db2.gz ICBZACNNEVYQEV-AWEZNQCLSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+]C/C=C/Cl ZINC001270605359 904784214 /nfs/dbraw/zinc/78/42/14/904784214.db2.gz ZDELGVIGRQZWNF-FYJFLYSWSA-N 2 0 275.824 1.421 10 0 CDAERP C[C@H](C[NH2+]C[C@H]1CC(C)(C)CO1)NC(=O)CCC[NH+](C)C ZINC001422552806 904838283 /nfs/dbraw/zinc/83/82/83/904838283.db2.gz VMAALTDPPBMRME-ZIAGYGMSSA-N 2 0 299.459 1.238 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC1CC1 ZINC001482370353 905221344 /nfs/dbraw/zinc/22/13/44/905221344.db2.gz VNMZEBZVMJLQNF-DZGCQCFKSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1nnc2n1CCCCC2 ZINC000054242580 906161390 /nfs/dbraw/zinc/16/13/90/906161390.db2.gz SKXVYUQKFGLCBE-CYBMUJFWSA-N 2 0 291.443 1.997 10 0 CDAERP CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CN(CC)CCO1 ZINC001271607193 906544664 /nfs/dbraw/zinc/54/46/64/906544664.db2.gz CAYSRAYMKMBRDF-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP F[C@]1(c2nc(-c3ccn4c[nH+]cc4c3)no2)CC[NH2+]C1 ZINC000843226785 921304971 /nfs/dbraw/zinc/30/49/71/921304971.db2.gz JFFVENBYWLREMV-CYBMUJFWSA-N 2 0 273.271 1.542 10 0 CDAERP C[NH+](C)C1CC([NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C1 ZINC000922213648 921366037 /nfs/dbraw/zinc/36/60/37/921366037.db2.gz DFIXEZBYPBENCM-MMVNABMTSA-N 2 0 250.386 1.482 10 0 CDAERP C[C@H](CC[NH2+]C/C=C/Cl)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001482860079 908431590 /nfs/dbraw/zinc/43/15/90/908431590.db2.gz FDYYOSQKSHRDIR-KSOFABFVSA-N 2 0 273.808 1.318 10 0 CDAERP CCN(CC[NH2+]CC(C)C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482963777 908546561 /nfs/dbraw/zinc/54/65/61/908546561.db2.gz PVKKMGXONXDPST-CQSZACIVSA-N 2 0 269.433 1.422 10 0 CDAERP C[N@@H+]1CCN(C(=O)CCC2CC[NH2+]CC2)CCC1(C)C ZINC000712688847 909575359 /nfs/dbraw/zinc/57/53/59/909575359.db2.gz KYQWXMRXTNAVFM-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000713048438 909602494 /nfs/dbraw/zinc/60/24/94/909602494.db2.gz CFTGHEZQLNAOMG-CQSZACIVSA-N 2 0 281.444 1.550 10 0 CDAERP CC(C)N1CC[C@H]([NH+]2CCC(C(C)(C)C[NH3+])CC2)C1=O ZINC000714402109 909729201 /nfs/dbraw/zinc/72/92/01/909729201.db2.gz ACTZOMZHWAOCFU-AWEZNQCLSA-N 2 0 281.444 1.693 10 0 CDAERP CC(C)NC(=O)C[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714470727 909743770 /nfs/dbraw/zinc/74/37/70/909743770.db2.gz ZKTQVGXJQLJZNK-UHFFFAOYSA-N 2 0 255.406 1.208 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000715572250 910023067 /nfs/dbraw/zinc/02/30/67/910023067.db2.gz QZAJOWMCFVPTNP-MCZMQQNQSA-N 2 0 265.401 1.103 10 0 CDAERP CC[NH2+][C@@H](C)[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001409478651 910428163 /nfs/dbraw/zinc/42/81/63/910428163.db2.gz UHIGLNZHYSXBRP-STQMWFEESA-N 2 0 277.412 1.865 10 0 CDAERP CC(C)COCC[NH2+]C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001483262151 910757593 /nfs/dbraw/zinc/75/75/93/910757593.db2.gz UVYSDOMFWHDUQD-AWEZNQCLSA-N 2 0 299.459 1.095 10 0 CDAERP C[C@@H](C[NH2+]CC1CCC1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001483266209 910759509 /nfs/dbraw/zinc/75/95/09/910759509.db2.gz HBCVQUSXKXKRLX-OLZOCXBDSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001483298554 910813041 /nfs/dbraw/zinc/81/30/41/910813041.db2.gz LQEJAYSMAGHILT-UONOGXRCSA-N 2 0 269.433 1.610 10 0 CDAERP CC(C)CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001483318439 910862640 /nfs/dbraw/zinc/86/26/40/910862640.db2.gz CNCVGHKFUHADHF-UONOGXRCSA-N 2 0 269.433 1.563 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[NH+](C)[C@H]1C ZINC000922518921 921650777 /nfs/dbraw/zinc/65/07/77/921650777.db2.gz KWKPLNBHUKMTPY-HZSPNIEDSA-N 2 0 284.448 1.499 10 0 CDAERP COc1ccc(OCC[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000165318814 911436963 /nfs/dbraw/zinc/43/69/63/911436963.db2.gz ALEAUFIZTOPVAE-UONOGXRCSA-N 2 0 278.396 1.991 10 0 CDAERP CC[NH2+]CCC1CCN(C(=O)Cn2ccnc2C)CC1 ZINC001568098419 1169135962 /nfs/dbraw/zinc/13/59/62/1169135962.db2.gz UXPAWVAOFJJBHG-UHFFFAOYSA-N 2 0 278.400 1.430 10 0 CDAERP CCC[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001483847112 915108787 /nfs/dbraw/zinc/10/87/87/915108787.db2.gz JBPGDDIWFFUXFW-INIZCTEOSA-N 2 0 281.444 1.661 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]CCF)C1 ZINC001484356348 915667655 /nfs/dbraw/zinc/66/76/55/915667655.db2.gz CMUCHOLZNCCXBV-OLZOCXBDSA-N 2 0 273.396 1.123 10 0 CDAERP O=C1C[C@@H](CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)CN1 ZINC000922779678 921803773 /nfs/dbraw/zinc/80/37/73/921803773.db2.gz YTFGHFIFRXULSD-CQSZACIVSA-N 2 0 293.455 1.899 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](CC[NH2+]CCCF)C2)C1 ZINC001484537020 915863354 /nfs/dbraw/zinc/86/33/54/915863354.db2.gz CYBUMNSQOPQEJY-LSDHHAIUSA-N 2 0 299.434 1.516 10 0 CDAERP CN(CCC[N@H+](C)CCF)C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001484759915 916123909 /nfs/dbraw/zinc/12/39/09/916123909.db2.gz OXEDXLMSJNBBNR-HUUCEWRRSA-N 2 0 299.434 1.753 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]CCF)CC1 ZINC001484915699 916256282 /nfs/dbraw/zinc/25/62/82/916256282.db2.gz CUZGMFFDYAAJLW-CQSZACIVSA-N 2 0 299.434 1.799 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001484998057 916365689 /nfs/dbraw/zinc/36/56/89/916365689.db2.gz PPOCCCOVDBWIPL-AWEZNQCLSA-N 2 0 281.444 1.779 10 0 CDAERP CCCC[NH2+][C@@H](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001485001607 916367584 /nfs/dbraw/zinc/36/75/84/916367584.db2.gz XOSINIJOSMEZCW-KBPBESRZSA-N 2 0 269.433 1.613 10 0 CDAERP CC[C@@H](C(=O)N1CCC[C@H]1C[N@H+](C)CCCOC)[NH+](C)C ZINC001485070447 916452822 /nfs/dbraw/zinc/45/28/22/916452822.db2.gz XBEINOOHFDLFTB-GJZGRUSLSA-N 2 0 299.459 1.286 10 0 CDAERP O=C(CC[NH+]1CCCCC1)NC1CC(C[NH2+]CCF)C1 ZINC001485110380 916535322 /nfs/dbraw/zinc/53/53/22/916535322.db2.gz HALRTRZPRYUBPQ-UHFFFAOYSA-N 2 0 285.407 1.316 10 0 CDAERP C[C@H](NC(=O)CC1CC[NH+](C)CC1)[C@H](C)[NH2+]CCCF ZINC001485198413 916642181 /nfs/dbraw/zinc/64/21/81/916642181.db2.gz HZQFCXYJEQYAJC-STQMWFEESA-N 2 0 287.423 1.561 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CC1CCOCC1 ZINC001485216845 916661506 /nfs/dbraw/zinc/66/15/06/916661506.db2.gz QAYIWVHOTOOYMX-ZIAGYGMSSA-N 2 0 299.459 1.238 10 0 CDAERP CCC[NH2+][C@@H](C)[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001485207280 916669369 /nfs/dbraw/zinc/66/93/69/916669369.db2.gz LRGDRQALKXMTAH-KBPBESRZSA-N 2 0 283.460 2.000 10 0 CDAERP C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)[N@H+](C)CCCF ZINC001485319187 916809858 /nfs/dbraw/zinc/80/98/58/916809858.db2.gz MHIRRQARUYPCDE-AWEZNQCLSA-N 2 0 299.434 1.659 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC001485345319 916862089 /nfs/dbraw/zinc/86/20/89/916862089.db2.gz KWJDEGKUAPAQTH-AWEZNQCLSA-N 2 0 277.412 1.575 10 0 CDAERP CCCC[C@@H](C[NH2+]CC)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001485462772 916997197 /nfs/dbraw/zinc/99/71/97/916997197.db2.gz HMZFPNXQDQMICY-LSDHHAIUSA-N 2 0 281.444 1.613 10 0 CDAERP FCCn1cc(C[NH2+]CCCC[NH+]2CCOCC2)cn1 ZINC000921535811 918994889 /nfs/dbraw/zinc/99/48/89/918994889.db2.gz FGMVEVCQPCFTHR-UHFFFAOYSA-N 2 0 284.379 1.055 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001485877777 920543502 /nfs/dbraw/zinc/54/35/02/920543502.db2.gz ZECHRTNQJPKNAO-ZFWWWQNUSA-N 2 0 281.444 1.421 10 0 CDAERP C[C@@H](CN(C)C(=O)C12CCC[NH+](CCC1)C2)[NH2+]CCCF ZINC001485892563 920551314 /nfs/dbraw/zinc/55/13/14/920551314.db2.gz POXTUMRNPSKEOF-AWEZNQCLSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]CC[C@@H]1CCCO1 ZINC001485962195 920632297 /nfs/dbraw/zinc/63/22/97/920632297.db2.gz WNQHZLDLTPIOCS-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP C[C@H](NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C)C1=CC[NH+](C)CC1 ZINC000921881945 921016125 /nfs/dbraw/zinc/01/61/25/921016125.db2.gz XRNFVQXLLLDHST-SCRDCRAPSA-N 2 0 280.416 1.029 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)CCSC(F)(F)F ZINC000706655056 923074227 /nfs/dbraw/zinc/07/42/27/923074227.db2.gz IDQQIGZSGAWIHH-UHFFFAOYSA-N 2 0 260.325 1.407 10 0 CDAERP C[C@@H]1C[N@H+](C[C@@H]2COc3ccccc3O2)C[C@H]1C[NH3+] ZINC000708096960 923179534 /nfs/dbraw/zinc/17/95/34/923179534.db2.gz RFFUWSGHUGWMCA-JHJVBQTASA-N 2 0 262.353 1.353 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711357474 923507952 /nfs/dbraw/zinc/50/79/52/923507952.db2.gz XJETZQUFJMOECP-NWDGAFQWSA-N 2 0 255.406 1.079 10 0 CDAERP C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC000923261199 923676457 /nfs/dbraw/zinc/67/64/57/923676457.db2.gz GSKMVQSJGJKPQU-CAOSSQGBSA-N 2 0 291.439 1.698 10 0 CDAERP CCCNC(=O)[C@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923310970 923736571 /nfs/dbraw/zinc/73/65/71/923736571.db2.gz QCTBNOZVRNMOOR-ZDUSSCGKSA-N 2 0 267.417 1.367 10 0 CDAERP CCOC(=O)[C@H]1CCC[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923370124 923782091 /nfs/dbraw/zinc/78/20/91/923782091.db2.gz BWUMZINQSYPKFT-JALIKCBVSA-N 2 0 280.412 1.935 10 0 CDAERP CCC[C@H]1CN(CCC[NH2+]C2CC2)CC[N@@H+]1CCOC ZINC000923374427 923788646 /nfs/dbraw/zinc/78/86/46/923788646.db2.gz XGJOYWUBALTFSD-INIZCTEOSA-N 2 0 283.460 1.561 10 0 CDAERP C[N@H+](CCOC(C)(C)C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923387278 923802205 /nfs/dbraw/zinc/80/22/05/923802205.db2.gz IGGLYTPGCPFZHG-GFCCVEGCSA-N 2 0 256.390 1.112 10 0 CDAERP [NH3+]C[C@@H]1CN(CCC[NH2+]C2CC2)CC[C@H]1C(F)(F)F ZINC000923401505 923810179 /nfs/dbraw/zinc/81/01/79/923810179.db2.gz OQDGTRDCTCYTHL-ZYHUDNBSSA-N 2 0 279.350 1.588 10 0 CDAERP CSC[C@H](O)C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000923428195 923822094 /nfs/dbraw/zinc/82/20/94/923822094.db2.gz NISJJNYZKFWPEG-OLZOCXBDSA-N 2 0 258.431 1.176 10 0 CDAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](C[C@@H]1C[C@]13CCOC3)CC2 ZINC000923446287 923831354 /nfs/dbraw/zinc/83/13/54/923831354.db2.gz MHLAAEAKVUUHTQ-DZKIICNBSA-N 2 0 280.412 1.243 10 0 CDAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](C[C@@H](O)c1ccccc1)CC2 ZINC000923442382 923837271 /nfs/dbraw/zinc/83/72/71/923837271.db2.gz PJSKDIPANQZZMD-HZPDHXFCSA-N 2 0 290.407 1.550 10 0 CDAERP C[C@@H](c1ncc(C(C)(C)C)o1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923462210 923847831 /nfs/dbraw/zinc/84/78/31/923847831.db2.gz DOTMUYNALDJLNE-LBPRGKRZSA-N 2 0 280.416 1.528 10 0 CDAERP CCCN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923479488 923866259 /nfs/dbraw/zinc/86/62/59/923866259.db2.gz PWHQTAQMXSWJGB-LLVKDONJSA-N 2 0 295.349 1.458 10 0 CDAERP CC(C)CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923496360 923872235 /nfs/dbraw/zinc/87/22/35/923872235.db2.gz BLPWTWNYKHCTQD-RDBSUJKOSA-N 2 0 269.433 1.454 10 0 CDAERP C[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)CC[C@@H]1C[NH3+] ZINC000923490460 923875226 /nfs/dbraw/zinc/87/52/26/923875226.db2.gz CRQPLVKLBLIKSU-OPRDCNLKSA-N 2 0 254.296 1.216 10 0 CDAERP C[C@@H](C(=O)N1CCCCC1)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923501659 923886931 /nfs/dbraw/zinc/88/69/31/923886931.db2.gz RVKVZSPYOOGXLV-RDBSUJKOSA-N 2 0 267.417 1.304 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)N(C)c2ccccc2)CC[C@H]1C[NH3+] ZINC000923510659 923888455 /nfs/dbraw/zinc/88/84/55/923888455.db2.gz WFHYPLNWSURYPX-KGLIPLIRSA-N 2 0 275.396 1.566 10 0 CDAERP C([C@@H]1CC2(CO1)CCOCC2)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516308 923892605 /nfs/dbraw/zinc/89/26/05/923892605.db2.gz YNDKTMIZNDEMCU-ZNMIVQPWSA-N 2 0 280.412 1.113 10 0 CDAERP C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923513554 923901830 /nfs/dbraw/zinc/90/18/30/923901830.db2.gz JBTJJQJLCYXNNN-KJWHEZOQSA-N 2 0 281.444 1.406 10 0 CDAERP COC[C@@H]1CC[C@@H]([C@@H]2COCC[N@@H+]2C[C@@H]2CC[C@H]([NH3+])C2)O1 ZINC000923554380 923927941 /nfs/dbraw/zinc/92/79/41/923927941.db2.gz NWNDCKPDZNWKCY-YXMSTPNBSA-N 2 0 298.427 1.009 10 0 CDAERP C(C[N@@H+]1CCOC[C@H]1CC1CC1)C1CC[NH2+]CC1 ZINC000923556838 923933333 /nfs/dbraw/zinc/93/33/33/923933333.db2.gz YEKLALGLZVVOGC-OAHLLOKOSA-N 2 0 252.402 1.877 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@H]2C[NH2+]CCC2CC2)C1 ZINC001491273869 936886946 /nfs/dbraw/zinc/88/69/46/936886946.db2.gz YBDGXFDPXXGDNY-HOTGVXAUSA-N 2 0 293.455 1.709 10 0 CDAERP CCn1ncc(C[NH2+]CC2CC[NH+](CC)CC2)n1 ZINC000838935553 936896959 /nfs/dbraw/zinc/89/69/59/936896959.db2.gz CVGKXFNEVCVTFZ-UHFFFAOYSA-N 2 0 251.378 1.120 10 0 CDAERP Cn1c(Cl)nc(Cl)c1CNCC[C@H]1CCC[NH2+]1 ZINC000841056550 925290061 /nfs/dbraw/zinc/29/00/61/925290061.db2.gz TXQZQBZUMZJYHD-MRVPVSSYSA-N 2 0 277.199 1.959 10 0 CDAERP Cc1oncc1C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001410348076 925550644 /nfs/dbraw/zinc/55/06/44/925550644.db2.gz OTWJBSCDSSGVQU-FZMZJTMJSA-N 2 0 294.399 1.014 10 0 CDAERP C[C@@H](CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]C/C=C\Cl ZINC001410432777 925653273 /nfs/dbraw/zinc/65/32/73/925653273.db2.gz HBZRKZCLKVPHRX-RMKKPPKKSA-N 2 0 287.835 1.517 10 0 CDAERP CC[C@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CCC(C)C)[NH+](C)C ZINC001488637116 926632099 /nfs/dbraw/zinc/63/20/99/926632099.db2.gz DEAJFMRJQRAJDA-HUUCEWRRSA-N 2 0 283.460 1.905 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001488717614 926656363 /nfs/dbraw/zinc/65/63/63/926656363.db2.gz MJSZCPCWWLTALE-MQYQWHSLSA-N 2 0 285.407 1.313 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001488790635 926717320 /nfs/dbraw/zinc/71/73/20/926717320.db2.gz XUXNMPGZTVYLGS-LJISPDSOSA-N 2 0 299.434 1.561 10 0 CDAERP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001490558403 927231223 /nfs/dbraw/zinc/23/12/23/927231223.db2.gz HSEQIAAZEOYAEV-CQSZACIVSA-N 2 0 269.433 1.565 10 0 CDAERP COCC[C@H](COC)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000385763705 927310384 /nfs/dbraw/zinc/31/03/84/927310384.db2.gz UTRSWHIDBDPCGR-TZMCWYRMSA-N 2 0 258.406 1.358 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@H]([NH2+]C/C=C\Cl)C1CC1 ZINC001490739712 927314290 /nfs/dbraw/zinc/31/42/90/927314290.db2.gz KVZPOOKYDRGFPQ-RJNRQISESA-N 2 0 285.819 1.319 10 0 CDAERP Cc1cc([C@H]([NH3+])CC(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc(Cl)n1 ZINC000843506892 937157007 /nfs/dbraw/zinc/15/70/07/937157007.db2.gz KMYGAYQGNDXKKE-VDDIYKPWSA-N 2 0 298.818 1.675 10 0 CDAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cncnc3)cc2)C1 ZINC000850357995 927421804 /nfs/dbraw/zinc/42/18/04/927421804.db2.gz YBVDETOACJRWHK-KRWDZBQOSA-N 2 0 298.390 1.333 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCOC(F)F)[C@H](C)C1 ZINC000850521053 927442041 /nfs/dbraw/zinc/44/20/41/927442041.db2.gz AEXWYKGDPVQWSM-OLZOCXBDSA-N 2 0 294.386 1.952 10 0 CDAERP COC(CC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21)OC ZINC000851860868 927643569 /nfs/dbraw/zinc/64/35/69/927643569.db2.gz OKYVWGMRLJGKIL-BFHYXJOUSA-N 2 0 286.416 1.179 10 0 CDAERP C[C@H](CNC(=O)C=C1CC[NH2+]CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000852858818 927899281 /nfs/dbraw/zinc/89/92/81/927899281.db2.gz IGSNLDPDKNFOEO-ZIAGYGMSSA-N 2 0 279.428 1.533 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000852882268 927905517 /nfs/dbraw/zinc/90/55/17/927905517.db2.gz BHLNDEKQSSFKBL-CABCVRRESA-N 2 0 277.412 1.144 10 0 CDAERP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000854651050 928255604 /nfs/dbraw/zinc/25/56/04/928255604.db2.gz VNPLWQKMLPVRCF-IOASZLSFSA-N 2 0 299.434 1.750 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000855164393 928368460 /nfs/dbraw/zinc/36/84/60/928368460.db2.gz LIDUMYWPBXAOTL-HNNXBMFYSA-N 2 0 293.455 1.850 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000857253750 928686539 /nfs/dbraw/zinc/68/65/39/928686539.db2.gz RADLPMJMSFVRBB-ZJUUUORDSA-N 2 0 269.216 1.914 10 0 CDAERP C[C@@H]1CC[C@@H]([NH2+]CCCN(C)CC[NH+](C)C)CS1 ZINC000857784106 928749823 /nfs/dbraw/zinc/74/98/23/928749823.db2.gz QSNLVDBCQMAALL-ZIAGYGMSSA-N 2 0 273.490 1.744 10 0 CDAERP CC[NH+](CC)CCSCC(=O)N[C@@H]1CCn2cncc21 ZINC000857985630 928791340 /nfs/dbraw/zinc/79/13/40/928791340.db2.gz QBMGTUGUOKRAAV-GFCCVEGCSA-N 2 0 296.440 1.519 10 0 CDAERP CCOC(=O)C1=CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000863544151 929566735 /nfs/dbraw/zinc/56/67/35/929566735.db2.gz MNEZDOQGTNEEIB-CBBWQLFWSA-N 2 0 278.396 1.616 10 0 CDAERP COC(=O)C1=CC[C@@H]([NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000863541885 929567268 /nfs/dbraw/zinc/56/72/68/929567268.db2.gz LUVOOOOMVJITJB-KGPNIALWSA-N 2 0 252.358 1.355 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+]C(c1ccnn1C)c1ccnn1C ZINC000863546942 929568567 /nfs/dbraw/zinc/56/85/67/929568567.db2.gz HZKCHIJOBHDVCQ-LBPRGKRZSA-N 2 0 290.415 1.350 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)NCCC[NH+](C)C)CC1 ZINC001135486552 930220990 /nfs/dbraw/zinc/22/09/90/930220990.db2.gz XJZZEMDFUDVODK-UHFFFAOYSA-N 2 0 269.433 1.422 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1nc2cc(F)ccc2n1C ZINC000817903658 930623797 /nfs/dbraw/zinc/62/37/97/930623797.db2.gz HOVRATOXBKZRKZ-GFCCVEGCSA-N 2 0 294.374 1.556 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@]1(O)CCCc2ccccc21 ZINC000817914823 930628569 /nfs/dbraw/zinc/62/85/69/930628569.db2.gz YZBMDZFGFSTZHL-DOTOQJQBSA-N 2 0 292.423 1.554 10 0 CDAERP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H](O)CO)CC1 ZINC000717561991 931054935 /nfs/dbraw/zinc/05/49/35/931054935.db2.gz IKSOAPBVHNEZQT-QGZVFWFLSA-N 2 0 292.423 1.184 10 0 CDAERP CCn1nc(C)c(C[NH2+]C2CCC(C[NH+](C)C)CC2)n1 ZINC000824023002 931388476 /nfs/dbraw/zinc/38/84/76/931388476.db2.gz FCRHVPWYHCPEFF-UHFFFAOYSA-N 2 0 279.432 1.816 10 0 CDAERP C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1[NH2+]CCCF ZINC001274299126 931489045 /nfs/dbraw/zinc/48/90/45/931489045.db2.gz SQTAAEOVNXELHO-LSDHHAIUSA-N 2 0 299.434 1.659 10 0 CDAERP C[NH2+]C[C@](C)(O)C[N@@H+]1CCCN(c2ccc(C)cc2)CC1 ZINC000846219952 931994830 /nfs/dbraw/zinc/99/48/30/931994830.db2.gz DLUQDABOVODUNW-KRWDZBQOSA-N 2 0 291.439 1.478 10 0 CDAERP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CCCCCCO)C1 ZINC000846227275 931998452 /nfs/dbraw/zinc/99/84/52/931998452.db2.gz MAAZNVPZUGWPEZ-PMPSAXMXSA-N 2 0 284.444 1.900 10 0 CDAERP C[C@@H](CNC(=O)CC[N@@H+]1CC[C@@H](F)C1)C[NH+]1CCCC1 ZINC001412439410 932430886 /nfs/dbraw/zinc/43/08/86/932430886.db2.gz CHZWMCZOSXOETL-UONOGXRCSA-N 2 0 285.407 1.268 10 0 CDAERP C[C@H](CN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1)[NH+](C)C ZINC000925496641 932460488 /nfs/dbraw/zinc/46/04/88/932460488.db2.gz RODXANQGCIQSRP-VHDGCEQUSA-N 2 0 253.434 1.694 10 0 CDAERP CC[C@@H](C)C[NH2+]CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001276048345 932471935 /nfs/dbraw/zinc/47/19/35/932471935.db2.gz PXFHFCWXYHRSTI-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C1CC1)[C@@H]1CCCOC1 ZINC000924994005 932841863 /nfs/dbraw/zinc/84/18/63/932841863.db2.gz REAMJMBRZHFJTL-DJIMGWMZSA-N 2 0 295.471 1.417 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)CC1 ZINC000925111767 932852497 /nfs/dbraw/zinc/85/24/97/932852497.db2.gz CWRYABVKIJYTBB-GJZGRUSLSA-N 2 0 282.428 1.238 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)N[C@@H]1CC[NH+](C)[C@@H]1C ZINC000925343788 932875144 /nfs/dbraw/zinc/87/51/44/932875144.db2.gz QFZGKHUWXHDFNX-CHWSQXEVSA-N 2 0 284.448 1.499 10 0 CDAERP COCCN1CCC[C@@H]1C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925475668 932890845 /nfs/dbraw/zinc/89/08/45/932890845.db2.gz GTTMEACBKYNADK-RBSFLKMASA-N 2 0 283.460 1.593 10 0 CDAERP CC[C@H](C)NC(=O)CC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925483386 932891734 /nfs/dbraw/zinc/89/17/34/932891734.db2.gz ZDUGHTQNILPADY-XQQFMLRXSA-N 2 0 269.433 1.787 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000925507238 932895142 /nfs/dbraw/zinc/89/51/42/932895142.db2.gz VGUPTZQEIWWFDK-KCNXFKOVSA-N 2 0 288.391 1.932 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccccc2)C12CCC2 ZINC000925533084 932900317 /nfs/dbraw/zinc/90/03/17/932900317.db2.gz JDPJCGWWCTYZNA-BPLDGKMQSA-N 2 0 276.380 1.286 10 0 CDAERP Cc1nccn1CC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925535113 932900958 /nfs/dbraw/zinc/90/09/58/932900958.db2.gz SYUKPGYNLBAOCB-JKSUJKDBSA-N 2 0 276.428 1.949 10 0 CDAERP CC1(C)C[C@@H]([NH2+]CCCCCS(C)(=O)=O)C[C@@H]([NH3+])C1 ZINC000925643885 932919765 /nfs/dbraw/zinc/91/97/65/932919765.db2.gz LTZPLZZIFAORES-OLZOCXBDSA-N 2 0 290.473 1.697 10 0 CDAERP COC(=O)N1CCC([C@@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925647631 932920831 /nfs/dbraw/zinc/92/08/31/932920831.db2.gz ZIIXUVNJVAZYKC-OCCSQVGLSA-N 2 0 295.427 1.728 10 0 CDAERP CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925648174 932920987 /nfs/dbraw/zinc/92/09/87/932920987.db2.gz PTFHHYJOWAOFLP-YIYPIFLZSA-N 2 0 270.417 1.676 10 0 CDAERP CC(C)(C)[C@H](O)C[C@H](CO)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925666604 932924264 /nfs/dbraw/zinc/92/42/64/932924264.db2.gz NDQSGRJUXGKRKS-MROQNXINSA-N 2 0 270.417 1.004 10 0 CDAERP C1CCC([C@@H]2C[NH2+]CC[C@H]2[NH2+][C@H]2CCCOC2)C1 ZINC000925671312 932924343 /nfs/dbraw/zinc/92/43/43/932924343.db2.gz BZFRCKLNXWHIMT-SOUVJXGZSA-N 2 0 252.402 1.923 10 0 CDAERP Cn1ncc(CCC[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)n1 ZINC000925678739 932926317 /nfs/dbraw/zinc/92/63/17/932926317.db2.gz XDUAQSHFCPOTKE-AAEUAGOBSA-N 2 0 265.405 1.243 10 0 CDAERP OCC1(CC[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925688159 932927621 /nfs/dbraw/zinc/92/76/21/932927621.db2.gz DLYBEMICOYVLLZ-LSDHHAIUSA-N 2 0 266.429 1.907 10 0 CDAERP CC[NH2+]CCCN[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925696146 932928567 /nfs/dbraw/zinc/92/85/67/932928567.db2.gz ZWVCAXFQWJNQOL-GJZGRUSLSA-N 2 0 253.434 1.744 10 0 CDAERP CC(C)(CC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2)S(C)(=O)=O ZINC000925699180 932928692 /nfs/dbraw/zinc/92/86/92/932928692.db2.gz VFDKWKQJJFFUIQ-QWRGUYRKSA-N 2 0 274.430 1.059 10 0 CDAERP CC(C)(C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2)C(=O)N1CCCC1 ZINC000925716307 932931396 /nfs/dbraw/zinc/93/13/96/932931396.db2.gz CUDMXMCUCIPQCU-STQMWFEESA-N 2 0 279.428 1.495 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925716600 932931524 /nfs/dbraw/zinc/93/15/24/932931524.db2.gz AVPXKWPKIIAHJH-ZGKBOVNRSA-N 2 0 251.418 1.495 10 0 CDAERP CC1(C)C[NH2+]CC[C@H](N[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000925727132 932933537 /nfs/dbraw/zinc/93/35/37/932933537.db2.gz YYYMKQARPCGCNN-GXYBRJDSSA-N 2 0 263.429 1.351 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000925779507 932938741 /nfs/dbraw/zinc/93/87/41/932938741.db2.gz JYQWPKYJIRDIDI-GZBLMMOJSA-N 2 0 251.418 1.495 10 0 CDAERP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1-n1ccnn1 ZINC000925784585 932939643 /nfs/dbraw/zinc/93/96/43/932939643.db2.gz JFOXVGZGLBDKAL-MCIONIFRSA-N 2 0 285.395 1.773 10 0 CDAERP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)C1CC[NH+](C)CC1 ZINC000925799893 932940675 /nfs/dbraw/zinc/94/06/75/932940675.db2.gz PANBVGAHCSPKPY-UMVBOHGHSA-N 3 0 253.434 1.552 10 0 CDAERP C(CC[NH2+][C@@H]1CC[C@@H]1C1CC1)CCN1CC[NH2+]CC1 ZINC000925845255 932945498 /nfs/dbraw/zinc/94/54/98/932945498.db2.gz FTFKEZFOCKWTFZ-HZPDHXFCSA-N 2 0 265.445 1.840 10 0 CDAERP C[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1cscn1 ZINC000925844016 932945640 /nfs/dbraw/zinc/94/56/40/932945640.db2.gz IIVDORGDYZEQPX-CYBMUJFWSA-N 2 0 282.457 1.869 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H](CO)Cc1ccc(F)cc1 ZINC000926270983 932978019 /nfs/dbraw/zinc/97/80/19/932978019.db2.gz FUJQGHWXNXCCDS-IINVVDAPSA-N 2 0 292.398 1.659 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC(C)(C)[C@]1(O)CCOC1 ZINC000926638430 933007467 /nfs/dbraw/zinc/00/74/67/933007467.db2.gz OQCFFUOCJHHZDU-DXBFTMOHSA-N 2 0 282.428 1.094 10 0 CDAERP Cc1cc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)nn1C ZINC000926910996 933032740 /nfs/dbraw/zinc/03/27/40/933032740.db2.gz NNAKUEIQBILOLW-OAGGEKHMSA-N 2 0 276.428 1.733 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]CCOC2CCOCC2)[C@H](C)C1 ZINC000927078231 933042642 /nfs/dbraw/zinc/04/26/42/933042642.db2.gz KCORTIFTZOWYFR-HIFRSBDPSA-N 2 0 270.417 1.502 10 0 CDAERP CCC[NH+]1CCC([N@H+](C)C[C@@H](O)C2(O)CCC2)CC1 ZINC000929777055 933267411 /nfs/dbraw/zinc/26/74/11/933267411.db2.gz GQTNPOXNUGIXIC-CQSZACIVSA-N 2 0 270.417 1.069 10 0 CDAERP COC/C(C)=C\C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000930138399 933322084 /nfs/dbraw/zinc/32/20/84/933322084.db2.gz ZBHHIFFVDYKTGU-ANNBALGTSA-N 2 0 295.471 1.537 10 0 CDAERP CCOC(=O)CC1([NH2+]Cc2[nH]c(C)nc2C)CCOCC1 ZINC000931068930 933500359 /nfs/dbraw/zinc/50/03/59/933500359.db2.gz AJOMAPTZLBPZJR-UHFFFAOYSA-N 2 0 295.383 1.619 10 0 CDAERP COC[C@H](C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1)C(C)C ZINC000931074403 933502455 /nfs/dbraw/zinc/50/24/55/933502455.db2.gz FFUBYNMEMILUKA-JKSUJKDBSA-N 2 0 286.460 1.948 10 0 CDAERP C[NH+](C)C1(C)CC[NH+](CCCn2ccnc2)CC1 ZINC000931355705 933547467 /nfs/dbraw/zinc/54/74/67/933547467.db2.gz WCCPAKFWLAXQLH-UHFFFAOYSA-N 2 0 250.390 1.689 10 0 CDAERP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931442944 933562415 /nfs/dbraw/zinc/56/24/15/933562415.db2.gz QRBQJIWXVIFXPZ-IGQOVBAYSA-N 2 0 266.385 1.069 10 0 CDAERP O=C(NCCC[NH+]1CCCC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001119594319 937736380 /nfs/dbraw/zinc/73/63/80/937736380.db2.gz RBEAKQJNLFHLQA-CABCVRRESA-N 2 0 279.428 1.605 10 0 CDAERP CC[NH+]1CCC([NH2+]C[C@]2(OC)CCSC2)CC1 ZINC000719314840 934847868 /nfs/dbraw/zinc/84/78/68/934847868.db2.gz ZKKJXCFWXGSYAQ-CYBMUJFWSA-N 2 0 258.431 1.582 10 0 CDAERP Cc1c[nH+]ccc1N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000720399249 935020672 /nfs/dbraw/zinc/02/06/72/935020672.db2.gz OUAVREWFXPTHPX-KGLIPLIRSA-N 2 0 263.410 1.804 10 0 CDAERP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(C)nn1 ZINC000720588762 935196950 /nfs/dbraw/zinc/19/69/50/935196950.db2.gz YTBRODANYLQOQV-NWANDNLSSA-N 2 0 260.385 1.653 10 0 CDAERP c1cc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc[nH+]1 ZINC001120860699 937842525 /nfs/dbraw/zinc/84/25/25/937842525.db2.gz RIVMZAWZSAVYGW-ZDUSSCGKSA-N 2 0 261.369 1.416 10 0 CDAERP CC/C=C/CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001276414187 939695893 /nfs/dbraw/zinc/69/58/93/939695893.db2.gz MAQYYTYPAMCYJJ-HMRWBYCRSA-N 2 0 293.455 1.873 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+][C@@H](CO)Cc2ccccc2)C12CCC2 ZINC000405290710 940979393 /nfs/dbraw/zinc/97/93/93/940979393.db2.gz ZUUFTLNEHCCVDM-KFWWJZLASA-N 2 0 260.381 1.450 10 0 CDAERP C[NH+](C)C[C@H]1CCCCN1C(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001362033180 970798618 /nfs/dbraw/zinc/79/86/18/970798618.db2.gz TXBIHEAKRGUGBC-UONOGXRCSA-N 2 0 285.407 1.363 10 0 CDAERP C[C@@H](CCC[NH2+]CCF)NC(=O)C[NH+]1CCC(C)CC1 ZINC001277330254 942378295 /nfs/dbraw/zinc/37/82/95/942378295.db2.gz YZQXAUHKUALHHP-AWEZNQCLSA-N 2 0 287.423 1.562 10 0 CDAERP CCC[NH2+][C@H](C)[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001282241414 942683399 /nfs/dbraw/zinc/68/33/99/942683399.db2.gz LBVVIQNQAUBFDJ-KGLIPLIRSA-N 2 0 269.433 1.755 10 0 CDAERP CCCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001282392143 942703873 /nfs/dbraw/zinc/70/38/73/942703873.db2.gz VZGNIUYCWGRUPJ-MGPQQGTHSA-N 2 0 269.433 1.563 10 0 CDAERP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001283900694 943023256 /nfs/dbraw/zinc/02/32/56/943023256.db2.gz WVVODRQSLDHTLV-NHQLZKDQSA-N 2 0 281.444 1.873 10 0 CDAERP CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CC(C)C)[NH+](C)C ZINC001277861503 943873309 /nfs/dbraw/zinc/87/33/09/943873309.db2.gz CQISXDGFJOHQNC-CHWSQXEVSA-N 2 0 257.422 1.419 10 0 CDAERP CCC[N@H+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+]CC)C1 ZINC001263928413 944034862 /nfs/dbraw/zinc/03/48/62/944034862.db2.gz ZKEPQYULHDJTJJ-UONOGXRCSA-N 2 0 269.433 1.613 10 0 CDAERP CC[N@H+](C)CCOCCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001264666305 944160864 /nfs/dbraw/zinc/16/08/64/944160864.db2.gz LNKVNABFJVGBLN-UHFFFAOYSA-N 2 0 299.459 1.288 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCCCC[C@@H]([NH2+]CCOC)C1 ZINC001264684521 944163632 /nfs/dbraw/zinc/16/36/32/944163632.db2.gz ZVXAFZCDHHKZKF-OAHLLOKOSA-N 2 0 299.459 1.335 10 0 CDAERP CC/C=C/CC[N@H+](C)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001265058471 944218172 /nfs/dbraw/zinc/21/81/72/944218172.db2.gz VKLQYSIIVXWSOO-SNAWJCMRSA-N 2 0 293.455 1.877 10 0 CDAERP CCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001265317248 944340407 /nfs/dbraw/zinc/34/04/07/944340407.db2.gz LWDCYBUKPAAQFR-KGLIPLIRSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]CC[C@@H](C)F ZINC001265870004 944545860 /nfs/dbraw/zinc/54/58/60/944545860.db2.gz HKDJWWRHWHQBKC-VXGBXAGGSA-N 2 0 261.385 1.169 10 0 CDAERP CC1CC(C[N@H+](C)CCCNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001265923177 944574128 /nfs/dbraw/zinc/57/41/28/944574128.db2.gz MWKSDHFXCKYBBM-FHERZECASA-N 2 0 295.471 1.812 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC[N@H+](C)CCCF ZINC001265978345 944610467 /nfs/dbraw/zinc/61/04/67/944610467.db2.gz JROVKBDWBGDTKH-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP CCC[N@H+](CC)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001266108804 944687413 /nfs/dbraw/zinc/68/74/13/944687413.db2.gz GWLUBLYJTIILTE-ZDUSSCGKSA-N 2 0 255.406 1.176 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001266220179 944769831 /nfs/dbraw/zinc/76/98/31/944769831.db2.gz PDTJHVLPJILNEI-CQSZACIVSA-N 2 0 281.444 1.851 10 0 CDAERP COCCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001279248826 944788655 /nfs/dbraw/zinc/78/86/55/944788655.db2.gz CSSZRUYHNOAWLX-NRXISQOPSA-N 2 0 297.443 1.086 10 0 CDAERP C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001362334742 971164827 /nfs/dbraw/zinc/16/48/27/971164827.db2.gz KHWMAEYVGHRUPK-SOUVJXGZSA-N 2 0 281.444 1.517 10 0 CDAERP COCCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001278422407 947872443 /nfs/dbraw/zinc/87/24/43/947872443.db2.gz CJLBKFAJDLTLHR-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CCCC[NH2+][C@H](CNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001480024009 971543463 /nfs/dbraw/zinc/54/34/63/971543463.db2.gz QFSDYUVWKJEVTI-CQSZACIVSA-N 2 0 281.444 1.755 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001480303386 971663116 /nfs/dbraw/zinc/66/31/16/971663116.db2.gz DXHOUPQTECLBRH-AWEZNQCLSA-N 2 0 267.417 1.320 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CC1CC1 ZINC001480526234 971768349 /nfs/dbraw/zinc/76/83/49/971768349.db2.gz OUUMXXFXPBAERL-DYEKYZERSA-N 2 0 267.417 1.221 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)NCC2([NH+](C)C)CC2)CC1 ZINC001363080005 971870611 /nfs/dbraw/zinc/87/06/11/971870611.db2.gz FCGWAPXTYVDFAE-UHFFFAOYSA-N 2 0 281.444 1.565 10 0 CDAERP CC[N@H+](CCCF)CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001493061815 971935658 /nfs/dbraw/zinc/93/56/58/971935658.db2.gz DXOINNNLRQNGID-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP Cc1c(C(=O)N[C@H]2C[N@@H+](C)CC2(C)C)ccc2c[nH+]cn21 ZINC001363594544 953511399 /nfs/dbraw/zinc/51/13/99/953511399.db2.gz NYVRCQVLPPUGIW-AWEZNQCLSA-N 2 0 286.379 1.713 10 0 CDAERP CC[N@@H+]1CC[C@@H]1C(=O)N1CCC(c2nc(C)c(C)[nH]2)CC1 ZINC001363595801 953513655 /nfs/dbraw/zinc/51/36/55/953513655.db2.gz PRUXKIYHLPUVQA-CQSZACIVSA-N 2 0 290.411 1.827 10 0 CDAERP [NH3+]C1CC(Cc2nc([C@H]3C[NH+]4CCC3CC4)no2)C1 ZINC001333201020 953784620 /nfs/dbraw/zinc/78/46/20/953784620.db2.gz AZHDDMZIKHXOFJ-NHNAUAITSA-N 2 0 262.357 1.159 10 0 CDAERP C[NH+](C)CC[C@@H]1CCN(C(=O)CC[N@@H+]2CC[C@@H](F)C2)C1 ZINC001363956866 954076627 /nfs/dbraw/zinc/07/66/27/954076627.db2.gz CWXWSJZPLGAQOP-ZIAGYGMSSA-N 2 0 285.407 1.221 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC ZINC001325917888 954139098 /nfs/dbraw/zinc/13/90/98/954139098.db2.gz COCCIOZLFOCTMG-KGLIPLIRSA-N 2 0 267.417 1.413 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NCC[C@@H](C)[NH2+]C ZINC001326132917 954229242 /nfs/dbraw/zinc/22/92/42/954229242.db2.gz NJNIEOURLWFNHP-VXGBXAGGSA-N 2 0 258.410 1.014 10 0 CDAERP O=C(CCC[NH+]1CCCC1)N1CC[C@@H](CC[NH2+]CCF)C1 ZINC001326438634 954382890 /nfs/dbraw/zinc/38/28/90/954382890.db2.gz SWAWUTPFGXBTMC-OAHLLOKOSA-N 2 0 299.434 1.660 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC001295174848 954622209 /nfs/dbraw/zinc/62/22/09/954622209.db2.gz NUWVHYNFRAHYLN-FRRDWIJNSA-N 2 0 255.406 1.125 10 0 CDAERP CC[N@@H+]1C[C@H](C)N(C(=O)[C@H](C)CC[NH+](C)C)C[C@H]1C ZINC001295827276 954756998 /nfs/dbraw/zinc/75/69/98/954756998.db2.gz BAIDOOGICHLWJS-MCIONIFRSA-N 2 0 269.433 1.515 10 0 CDAERP c1cn2c(n1)[C@@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)CC2 ZINC001364679830 955014662 /nfs/dbraw/zinc/01/46/62/955014662.db2.gz WVZYICWKCWLJJT-HNNXBMFYSA-N 2 0 283.379 1.982 10 0 CDAERP [NH3+]C[C@H](NC(=O)[C@H]1CCCC[C@H]1[NH3+])C1CCCCC1 ZINC001327918788 955114605 /nfs/dbraw/zinc/11/46/05/955114605.db2.gz VRJRQUMNDJLWAV-MJBXVCDLSA-N 2 0 267.417 1.528 10 0 CDAERP C[C@@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH2+]CCF ZINC001491579532 955296460 /nfs/dbraw/zinc/29/64/60/955296460.db2.gz MIFZEWHEBNSAAF-SMDDNHRTSA-N 2 0 291.386 1.263 10 0 CDAERP CC[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001493614429 972089716 /nfs/dbraw/zinc/08/97/16/972089716.db2.gz ZXTLZTDLLMKJBT-CYBMUJFWSA-N 2 0 255.406 1.175 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1 ZINC001491674157 955380130 /nfs/dbraw/zinc/38/01/30/955380130.db2.gz RFOBAQLNGAZFQT-UKRRQHHQSA-N 2 0 275.396 1.233 10 0 CDAERP C[C@@H]([NH2+]CC1CCC1)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001421520329 955387220 /nfs/dbraw/zinc/38/72/20/955387220.db2.gz GIOGKZSEFVEANG-UKRRQHHQSA-N 2 0 281.444 1.565 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](C)CN2CCOCC2)[C@H](C)C1 ZINC001421577323 955417509 /nfs/dbraw/zinc/41/75/09/955417509.db2.gz FMDXUGKULKYHOT-ZACQAIPSSA-N 2 0 297.487 1.617 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H]2C[N@H+](CCCF)C[C@H]21 ZINC001421636678 955444707 /nfs/dbraw/zinc/44/47/07/955444707.db2.gz USPWPBRFDHYPRO-UONOGXRCSA-N 2 0 285.407 1.221 10 0 CDAERP CCCC[NH2+]C[C@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001491858672 955471304 /nfs/dbraw/zinc/47/13/04/955471304.db2.gz KQVASNWIZJFOJT-CYBMUJFWSA-N 2 0 264.373 1.121 10 0 CDAERP CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001491806342 955472034 /nfs/dbraw/zinc/47/20/34/955472034.db2.gz YXKHZXULLCHEPV-QLFBSQMISA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@@H](C(=O)N(C)CC[NH2+]CCc1cccs1)[NH+](C)C ZINC001493762256 972111953 /nfs/dbraw/zinc/11/19/53/972111953.db2.gz AUPLTQSIJGGASR-AWEZNQCLSA-N 2 0 297.468 1.679 10 0 CDAERP CC(C)[C@H](C(=O)N(C)CC[NH2+]CC[C@H]1CCCO1)[NH+](C)C ZINC001493769354 972112180 /nfs/dbraw/zinc/11/21/80/972112180.db2.gz MYAZWUWHSAESIV-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP CCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001492031627 955619420 /nfs/dbraw/zinc/61/94/20/955619420.db2.gz PYWICGOOISTSCZ-KGLIPLIRSA-N 2 0 269.433 1.755 10 0 CDAERP CC(C)CC[NH2+][C@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001492112783 955633074 /nfs/dbraw/zinc/63/30/74/955633074.db2.gz KBLSXXQHDZLSLZ-CQSZACIVSA-N 2 0 281.444 1.613 10 0 CDAERP CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001422004029 955696173 /nfs/dbraw/zinc/69/61/73/955696173.db2.gz NTAWLMHRIIQZDQ-GJZGRUSLSA-N 2 0 283.460 2.000 10 0 CDAERP CC(C)(O)[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001365269641 955800708 /nfs/dbraw/zinc/80/07/08/955800708.db2.gz DQJQBQFHYNBRSU-HOTGVXAUSA-N 2 0 298.471 1.706 10 0 CDAERP CC(C)[N@@H+]1CCCN(C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001365269734 955801451 /nfs/dbraw/zinc/80/14/51/955801451.db2.gz VFNOYQAOBAXGLY-INIZCTEOSA-N 2 0 283.460 1.371 10 0 CDAERP C[NH+](C)CCC(=O)NCC[N@H+](C)CCc1ccccc1F ZINC001492402754 955867313 /nfs/dbraw/zinc/86/73/13/955867313.db2.gz UFIJVCCPKKCLST-UHFFFAOYSA-N 2 0 295.402 1.368 10 0 CDAERP CCCCC[N@H+](C)[C@H](C)CNC(=O)Cc1c[nH]cn1 ZINC001329561025 955987178 /nfs/dbraw/zinc/98/71/78/955987178.db2.gz QNCAGVHJLWKCNP-GFCCVEGCSA-N 2 0 266.389 1.579 10 0 CDAERP CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001329575528 955993686 /nfs/dbraw/zinc/99/36/86/955993686.db2.gz VDUGVQMVKSCRRX-ZIAGYGMSSA-N 2 0 269.433 1.706 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CCCO ZINC001422564832 956154106 /nfs/dbraw/zinc/15/41/06/956154106.db2.gz JGFKAMLXYNYWSY-GJZGRUSLSA-N 2 0 299.459 1.068 10 0 CDAERP C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C[NH2+]CC1CC1 ZINC001365594743 956189741 /nfs/dbraw/zinc/18/97/41/956189741.db2.gz KAMWOHZUXOSQKU-ZBFHGGJFSA-N 2 0 293.455 1.566 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001365845233 956402332 /nfs/dbraw/zinc/40/23/32/956402332.db2.gz MENLFIQOWNBWAR-KKUMJFAQSA-N 2 0 293.455 1.613 10 0 CDAERP CC(C)[NH2+][C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001366035084 956526095 /nfs/dbraw/zinc/52/60/95/956526095.db2.gz RRFCQTJPCCKFNH-LSDHHAIUSA-N 2 0 279.428 1.221 10 0 CDAERP CC(C)[NH2+][C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001366035082 956527262 /nfs/dbraw/zinc/52/72/62/956527262.db2.gz RRFCQTJPCCKFNH-GJZGRUSLSA-N 2 0 279.428 1.221 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCC(C)(C)C)C2)C1 ZINC001366128572 956589816 /nfs/dbraw/zinc/58/98/16/956589816.db2.gz QBDKGRKRMSBFOR-MGPQQGTHSA-N 2 0 281.444 1.611 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccns2)C1 ZINC001366165881 956615284 /nfs/dbraw/zinc/61/52/84/956615284.db2.gz GTXAJKJUWJIZFZ-TXEJJXNPSA-N 2 0 296.440 1.222 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]C[C@H]1CCCCO1 ZINC001423481689 956800972 /nfs/dbraw/zinc/80/09/72/956800972.db2.gz ZSFKEHXLAKTBQB-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP O=C(Cc1c[nH]cn1)NCCC[N@H+](CC1CC1)C1CC1 ZINC001316924942 956884921 /nfs/dbraw/zinc/88/49/21/956884921.db2.gz HHJAPEPJLVZHKJ-UHFFFAOYSA-N 2 0 276.384 1.333 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@](C)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001423588249 956886653 /nfs/dbraw/zinc/88/66/53/956886653.db2.gz PEMOSXVNNAAVDK-RDJZCZTQSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]CC2CC2)C(C)(C)C)CC[N@@H+]1C ZINC001423599190 956895856 /nfs/dbraw/zinc/89/58/56/956895856.db2.gz GRNJXHJUBJRGKC-YUELXQCFSA-N 2 0 295.471 1.857 10 0 CDAERP CC(C)CC[N@H+](C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001366572746 956981514 /nfs/dbraw/zinc/98/15/14/956981514.db2.gz FTUGXUXTHCHDCW-UHFFFAOYSA-N 2 0 283.460 1.812 10 0 CDAERP COC1(C[NH2+]CCCN2CCC[N@H+](C)CC2)CCC1 ZINC001331566830 957141927 /nfs/dbraw/zinc/14/19/27/957141927.db2.gz QFAVTZRYXHOWPF-UHFFFAOYSA-N 2 0 269.433 1.173 10 0 CDAERP CC[C@H](F)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001424332303 957207838 /nfs/dbraw/zinc/20/78/38/957207838.db2.gz RKTRVRHFTDGUDM-KGLIPLIRSA-N 2 0 287.423 1.467 10 0 CDAERP CC[C@H](C(=O)NCC[C@H]1CC[N@H+](CCCF)C1)[NH+](C)C ZINC001366856985 957226985 /nfs/dbraw/zinc/22/69/85/957226985.db2.gz ZJXGDQQKVPROQG-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001317065173 957240077 /nfs/dbraw/zinc/24/00/77/957240077.db2.gz LSUHBKROFJCBOA-ZDUSSCGKSA-N 2 0 255.406 1.319 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001317157547 957311925 /nfs/dbraw/zinc/31/19/25/957311925.db2.gz KARJWZRYXKNLEG-ZDUSSCGKSA-N 2 0 255.406 1.176 10 0 CDAERP O=C(N1CCC[C@@H](C[NH2+]CCCF)C1)C12CC[NH+](CC1)C2 ZINC001317162018 957312515 /nfs/dbraw/zinc/31/25/15/957312515.db2.gz KZEFIHMOOWHWOP-AWEZNQCLSA-N 2 0 297.418 1.270 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@H+](C)CCCF ZINC001424717505 957320999 /nfs/dbraw/zinc/32/09/99/957320999.db2.gz QIKKNTYQMWIGJF-CYBMUJFWSA-N 2 0 273.396 1.221 10 0 CDAERP CCC[NH2+][C@H]1C[C@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001332051891 957415268 /nfs/dbraw/zinc/41/52/68/957415268.db2.gz VTCVOEMEBFCRKA-KBPBESRZSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)C[NH2+][C@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001317396508 957452167 /nfs/dbraw/zinc/45/21/67/957452167.db2.gz FTXWXFBZWHVZQQ-ZIAGYGMSSA-N 2 0 269.433 1.611 10 0 CDAERP CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001425511051 957548308 /nfs/dbraw/zinc/54/83/08/957548308.db2.gz RONMDMYNKLCJSS-HOTGVXAUSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)=CC[NH2+]CCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001317596992 957590539 /nfs/dbraw/zinc/59/05/39/957590539.db2.gz PNHBGWJRNIGQFB-OAHLLOKOSA-N 2 0 281.444 1.875 10 0 CDAERP CN(CC[NH2+]CCCC1CCC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001317653450 957623515 /nfs/dbraw/zinc/62/35/15/957623515.db2.gz GQODMKNWRLWPAK-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@]12CCC[C@H]1[NH+](CCOC)CC2 ZINC001425917121 957643239 /nfs/dbraw/zinc/64/32/39/957643239.db2.gz VSVFLVZUVLLWHC-GDBMZVCRSA-N 2 0 297.443 1.088 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@@H](C[NH2+]CCF)C(C)(C)C)CCC1 ZINC001332804382 957851201 /nfs/dbraw/zinc/85/12/01/957851201.db2.gz CEFONPPEUSYFTN-LBPRGKRZSA-N 2 0 287.423 1.561 10 0 CDAERP CC/C=C\CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)CC ZINC001318223663 957981615 /nfs/dbraw/zinc/98/16/15/957981615.db2.gz INXHYJSIHDSFFE-KQLNYGGHSA-N 2 0 293.455 1.970 10 0 CDAERP CC[C@H](C(=O)N[C@H](C[NH2+]C(C)C)CC(C)C)[NH+](C)C ZINC001367415258 958003543 /nfs/dbraw/zinc/00/35/43/958003543.db2.gz CKCRXXUZLYSFLV-UONOGXRCSA-N 2 0 271.449 1.856 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCCCCF)C1)[NH+](C)C ZINC001318280955 958016995 /nfs/dbraw/zinc/01/69/95/958016995.db2.gz BXYGNIFSKXQVFL-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC=C(C)C)C1 ZINC001318366938 958062709 /nfs/dbraw/zinc/06/27/09/958062709.db2.gz MQLCFGZYXNYFIE-CQSZACIVSA-N 2 0 267.417 1.485 10 0 CDAERP CN(C(=O)CCCC[NH+](C)C)C1CC([NH2+]CCF)C1 ZINC001333140397 958102712 /nfs/dbraw/zinc/10/27/12/958102712.db2.gz GSIURCCWKYFASN-UHFFFAOYSA-N 2 0 273.396 1.267 10 0 CDAERP CN(CC[N@H+](C)Cc1ccsc1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001367549370 958126695 /nfs/dbraw/zinc/12/66/95/958126695.db2.gz CXKBSGIBLGUPJE-CQSZACIVSA-N 2 0 295.452 1.590 10 0 CDAERP C[C@@H](C[NH2+]CC1CCCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001367732928 958280707 /nfs/dbraw/zinc/28/07/07/958280707.db2.gz VVTKGWBFBBFOJN-GZBFAFLISA-N 2 0 281.444 1.611 10 0 CDAERP C[NH+](C)C1(C(=O)NC[C@H]2CC[N@@H+]2CCC2CC2)CCC1 ZINC001367942983 958500370 /nfs/dbraw/zinc/50/03/70/958500370.db2.gz CKBDITBQAXRVRR-CQSZACIVSA-N 2 0 279.428 1.461 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001367961878 958521184 /nfs/dbraw/zinc/52/11/84/958521184.db2.gz QMQGBRRQZDTQFH-AWEZNQCLSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@H](C[NH2+]C/C=C\Cl)N(C)C(=O)CCC[NH+](C)C ZINC001319523778 958607036 /nfs/dbraw/zinc/60/70/36/958607036.db2.gz SIISJPNKTBPHKX-XYLWRLHESA-N 2 0 275.824 1.517 10 0 CDAERP CC(C)OCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001319697416 958691459 /nfs/dbraw/zinc/69/14/59/958691459.db2.gz UCMRDIKIXHKWRN-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2C[C@@H]([NH2+]CC3CCC3)C2)C1 ZINC001368523962 958923649 /nfs/dbraw/zinc/92/36/49/958923649.db2.gz NQZNDNANSHHNTJ-OAGGEKHMSA-N 2 0 293.455 1.613 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001368568435 958973732 /nfs/dbraw/zinc/97/37/32/958973732.db2.gz WWBPDBNGJNQEOO-KGLIPLIRSA-N 2 0 287.423 1.467 10 0 CDAERP C[NH+](C)CCC(=O)N1CCCCC[C@H]([NH2+]CCF)C1 ZINC001368752511 959105673 /nfs/dbraw/zinc/10/56/73/959105673.db2.gz CTXDOSSOLQXDPB-ZDUSSCGKSA-N 2 0 273.396 1.268 10 0 CDAERP C[C@@H](CC[NH2+]CC1CCC1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001320464180 959188853 /nfs/dbraw/zinc/18/88/53/959188853.db2.gz MYTKOVBVFIUKLR-ZFWWWQNUSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]CCC2CC2)CC[N@@H+]1C ZINC001371182885 972409809 /nfs/dbraw/zinc/40/98/09/972409809.db2.gz DAUGRQZPMVMQGI-VHDGCEQUSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)=CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001320516774 959216185 /nfs/dbraw/zinc/21/61/85/959216185.db2.gz IYIWJQGUWSXGKV-ZIAGYGMSSA-N 2 0 267.417 1.531 10 0 CDAERP CC[N@H+](C)[C@@H](C)CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001368974580 959345650 /nfs/dbraw/zinc/34/56/50/959345650.db2.gz CVUQXCMIORAQDX-SWLSCSKDSA-N 2 0 287.423 1.655 10 0 CDAERP CCN(CC[NH2+]CCC(C)(C)C)C(=O)C12CC[NH+](CC1)C2 ZINC001320890945 959443596 /nfs/dbraw/zinc/44/35/96/959443596.db2.gz BNLCZYOENRRVLN-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)C1C[NH+](CC[C@H](C)F)C1 ZINC001369081982 959446982 /nfs/dbraw/zinc/44/69/82/959446982.db2.gz JPWKOONUUVXBKK-QWHCGFSZSA-N 2 0 299.434 1.655 10 0 CDAERP CC[C@@H](C(=O)NCC[C@@H]([NH2+]C(C)C)C(C)C)[NH+](C)C ZINC001369202211 959526631 /nfs/dbraw/zinc/52/66/31/959526631.db2.gz YKKOJHKHDOCHEG-KGLIPLIRSA-N 2 0 271.449 1.856 10 0 CDAERP CC(C)C[NH2+]C/C=C/CNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001321110710 959597054 /nfs/dbraw/zinc/59/70/54/959597054.db2.gz MQFLWRPLTZIARP-SGFLJFKBSA-N 2 0 293.455 1.921 10 0 CDAERP C[C@@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1CC1CCC1 ZINC001369425837 959677976 /nfs/dbraw/zinc/67/79/76/959677976.db2.gz LIBYCYBVPKIXRW-UKRRQHHQSA-N 2 0 281.444 1.707 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NC/C=C\C[NH2+]CC2CCC2)C1 ZINC001321391217 959765137 /nfs/dbraw/zinc/76/51/37/959765137.db2.gz BUJPYWYGVQMOBS-PYLYLYNFSA-N 2 0 265.401 1.000 10 0 CDAERP CC(C)C[NH2+]C[C@](C)(NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001495251833 972457657 /nfs/dbraw/zinc/45/76/57/972457657.db2.gz XFMWCFKLIKYVKT-UNEWFSDZSA-N 2 0 295.471 1.857 10 0 CDAERP C[C@H](NC(=O)CC[NH+](C)C)[C@@H]1CCC[N@H+](CCC2CC2)C1 ZINC001370979866 960248521 /nfs/dbraw/zinc/24/85/21/960248521.db2.gz SIUWJTRWMWVEAI-GOEBONIOSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@H](C[NH2+]CCCF)C2CC2)C1 ZINC001323063191 960426866 /nfs/dbraw/zinc/42/68/66/960426866.db2.gz KWTFKESGTNOLCH-TZMCWYRMSA-N 2 0 285.407 1.172 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1cncc(F)c1)[NH+](C)C ZINC001371416533 972510737 /nfs/dbraw/zinc/51/07/37/972510737.db2.gz IFDMKAIIRMNBOE-SMDDNHRTSA-N 2 0 296.390 1.155 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001418585694 960761087 /nfs/dbraw/zinc/76/10/87/960761087.db2.gz AMYZBTIDJGRREM-HUUCEWRRSA-N 2 0 281.444 1.517 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001418661466 960864865 /nfs/dbraw/zinc/86/48/65/960864865.db2.gz RXLZKWXRYVUVOA-QXSJWSMHSA-N 2 0 295.471 1.859 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)CC[NH+]1CC[C@H](F)C1 ZINC001434046628 960931078 /nfs/dbraw/zinc/93/10/78/960931078.db2.gz VHPWYPIEUWVQTF-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C1CC1 ZINC001418801658 961037092 /nfs/dbraw/zinc/03/70/92/961037092.db2.gz PLCVTFWELCXMMU-ZFWWWQNUSA-N 2 0 281.444 1.707 10 0 CDAERP CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@H]1C ZINC001418806308 961045099 /nfs/dbraw/zinc/04/50/99/961045099.db2.gz HUBWEPXQCYTZHH-QLFBSQMISA-N 2 0 281.444 1.706 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC[C@H]2CC[NH+](C(C)C)C2)CC[N@@H+]1C ZINC001418896884 961143485 /nfs/dbraw/zinc/14/34/85/961143485.db2.gz OQOIBWOEDDDANS-HRCADAONSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001419361242 961632207 /nfs/dbraw/zinc/63/22/07/961632207.db2.gz NHUYUUVYZTZOBC-GJZGRUSLSA-N 2 0 281.444 1.707 10 0 CDAERP C[NH+](C)CCC(=O)NCc1ccc(C[NH2+]CC2CC2)cc1 ZINC001419394584 961656210 /nfs/dbraw/zinc/65/62/10/961656210.db2.gz YTWGUVCZICMSCL-UHFFFAOYSA-N 2 0 289.423 1.754 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccns1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001419644919 961916107 /nfs/dbraw/zinc/91/61/07/961916107.db2.gz FTTMFZMCNKITBQ-AAEUAGOBSA-N 2 0 296.440 1.174 10 0 CDAERP CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001436325100 962179184 /nfs/dbraw/zinc/17/91/84/962179184.db2.gz IHNSGBSPXFLICL-CQSZACIVSA-N 2 0 297.443 1.040 10 0 CDAERP CCCC[N@H+](C)[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001420037505 962403412 /nfs/dbraw/zinc/40/34/12/962403412.db2.gz HXGUELFDRGJWDD-OAHLLOKOSA-N 2 0 293.455 1.805 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@H]([NH2+]C(C)C)C2CC2)CC[N@@H+]1C ZINC001436787339 962417878 /nfs/dbraw/zinc/41/78/78/962417878.db2.gz JJPMJIUTLRJZFO-SOUVJXGZSA-N 2 0 281.444 1.610 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCC(F)(F)F ZINC001437131096 962664170 /nfs/dbraw/zinc/66/41/70/962664170.db2.gz NJCCIAGVVHZPJK-GMTAPVOTSA-N 2 0 295.349 1.373 10 0 CDAERP C[C@H](C[NH2+]CC1CC(C)C1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001420322742 962733752 /nfs/dbraw/zinc/73/37/52/962733752.db2.gz FBHKBEHDEZVQKJ-XJGFBQBWSA-N 2 0 295.471 1.857 10 0 CDAERP C[C@@H]1[C@H](C(=O)NCC[NH+](C)CCC(C)(C)C)CC[N@@H+]1C ZINC001437462656 962934485 /nfs/dbraw/zinc/93/44/85/962934485.db2.gz JDYQXPWQNKACKP-ZIAGYGMSSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001420471996 962950788 /nfs/dbraw/zinc/95/07/88/962950788.db2.gz RFSKVFXKPNARGN-CQSZACIVSA-N 2 0 281.444 1.850 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[N@H+](C)CCC1CC1 ZINC001437566732 963023947 /nfs/dbraw/zinc/02/39/47/963023947.db2.gz STCUSQUPMXYFFK-ZIAGYGMSSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H](C[N@@H+](C)CC[C@H](C)F)NC(=O)C1(C[NH+](C)C)CC1 ZINC001420618192 963125130 /nfs/dbraw/zinc/12/51/30/963125130.db2.gz WYFSMKHSPAUWIW-QWHCGFSZSA-N 2 0 287.423 1.513 10 0 CDAERP CCCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCC)C1 ZINC001437898245 963226290 /nfs/dbraw/zinc/22/62/90/963226290.db2.gz BCTXVPXPGDNUPK-GJZGRUSLSA-N 2 0 281.444 1.661 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C[NH+](C)CCCF)C1 ZINC001437993634 963253078 /nfs/dbraw/zinc/25/30/78/963253078.db2.gz UGNPZWXAUYRCPC-CQSZACIVSA-N 2 0 287.423 1.467 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+]2CCC2CC2)C1 ZINC001420858700 963308284 /nfs/dbraw/zinc/30/82/84/963308284.db2.gz PVQOZEVXMRHSBG-HIFRSBDPSA-N 2 0 279.428 1.319 10 0 CDAERP CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]Cc1ocnc1C ZINC001438380893 963437669 /nfs/dbraw/zinc/43/76/69/963437669.db2.gz YFUDCGJYRNMLKG-ZDUSSCGKSA-N 2 0 296.415 1.308 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)C1C[NH+](CC2CC(C)C2)C1 ZINC001421079063 963445216 /nfs/dbraw/zinc/44/52/16/963445216.db2.gz MMJZYTFDGZADJL-UHFFFAOYSA-N 2 0 281.444 1.517 10 0 CDAERP C[C@H](C[N@H+](C)CCC(F)(F)F)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001439402666 963752505 /nfs/dbraw/zinc/75/25/05/963752505.db2.gz DBITYGCBHUZVCI-GHMZBOCLSA-N 2 0 295.349 1.327 10 0 CDAERP COC[C@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001440220778 963946462 /nfs/dbraw/zinc/94/64/62/963946462.db2.gz QMJDOYPJKZXCRQ-KKUMJFAQSA-N 2 0 299.459 1.238 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001440338127 963992906 /nfs/dbraw/zinc/99/29/06/963992906.db2.gz DGSDEGAVIPXOAY-IHRRRGAJSA-N 2 0 299.434 1.703 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCO[C@H](C[NH2+]C[C@H](C)CC)C1 ZINC001440375674 964004132 /nfs/dbraw/zinc/00/41/32/964004132.db2.gz QHLYWBQXKYTSKJ-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](C)[NH2+]Cc1cncs1 ZINC001440815074 964196303 /nfs/dbraw/zinc/19/63/03/964196303.db2.gz FQJROMMMHDLWDC-VXGBXAGGSA-N 2 0 298.456 1.468 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](C)OC)CC1(C)C ZINC001441254069 964436500 /nfs/dbraw/zinc/43/65/00/964436500.db2.gz CZTIJYNRTLGCTD-UONOGXRCSA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001441354123 964471909 /nfs/dbraw/zinc/47/19/09/964471909.db2.gz XBQKFFJZSUDAAI-OXGONZEZSA-N 2 0 295.471 1.857 10 0 CDAERP CO[C@H](C)C[NH2+][C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001441413570 964502680 /nfs/dbraw/zinc/50/26/80/964502680.db2.gz DNTKQDYPOOOZPR-RBSFLKMASA-N 2 0 299.459 1.236 10 0 CDAERP C[C@H](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CC1CC1 ZINC001442257858 964962237 /nfs/dbraw/zinc/96/22/37/964962237.db2.gz NFJREGUMKBBRNO-DOMZBBRYSA-N 2 0 279.428 1.223 10 0 CDAERP CC[C@H](C[N@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCC1)OC ZINC001442581200 965123629 /nfs/dbraw/zinc/12/36/29/965123629.db2.gz YYSIESFKMCMTPB-CQSZACIVSA-N 2 0 299.459 1.334 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)NC[C@H]1CC[N@H+](CCF)C1 ZINC001442854260 965246684 /nfs/dbraw/zinc/24/66/84/965246684.db2.gz JHAGZNATFJDGEI-OLZOCXBDSA-N 2 0 291.386 1.074 10 0 CDAERP C[NH+](C)CC[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001558292203 965259435 /nfs/dbraw/zinc/25/94/35/965259435.db2.gz FSTLPYMNHVOMOW-KBPBESRZSA-N 2 0 267.417 1.271 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001442909866 965273080 /nfs/dbraw/zinc/27/30/80/965273080.db2.gz SRCVPDLMFUBLNZ-HUUCEWRRSA-N 2 0 283.460 1.811 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CC1 ZINC001443671417 965555775 /nfs/dbraw/zinc/55/57/75/965555775.db2.gz KORJJHJCHGFCFF-SOUVJXGZSA-N 2 0 297.418 1.361 10 0 CDAERP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ccnc(F)c2)CC1 ZINC001348099055 965820924 /nfs/dbraw/zinc/82/09/24/965820924.db2.gz DFOXLCHNDGIENE-UHFFFAOYSA-N 2 0 294.418 1.726 10 0 CDAERP [NH3+]Cc1ccc(CNC(=O)[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001349420940 966344799 /nfs/dbraw/zinc/34/47/99/966344799.db2.gz QOXWAZPOOHGSFY-KBPBESRZSA-N 2 0 261.369 1.279 10 0 CDAERP CCCCCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H]2C[NH+](C)C[C@H]21 ZINC001349780623 966468528 /nfs/dbraw/zinc/46/85/28/966468528.db2.gz YKLBNJBVGWGEJC-ARFHVFGLSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](C(=O)N[C@]1(CO)CCC[N@H+](CC)C1)[NH+](CC)CC ZINC001447040748 966684638 /nfs/dbraw/zinc/68/46/38/966684638.db2.gz RTMFHZBDJBSWIX-GDBMZVCRSA-N 2 0 299.459 1.070 10 0 CDAERP CO[C@H]1C[C@H](C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC001350956105 966811326 /nfs/dbraw/zinc/81/13/26/966811326.db2.gz LZFLPJIEYHGZDG-BTFPBAQTSA-N 2 0 268.401 1.158 10 0 CDAERP O=C(CC[N@H+]1CC[C@@H](F)C1)NC[C@H]1CCCC[NH+]1C1CC1 ZINC001449065679 967351953 /nfs/dbraw/zinc/35/19/53/967351953.db2.gz MVMOETATLJTANS-UKRRQHHQSA-N 2 0 297.418 1.553 10 0 CDAERP CCC[N@H+](C)CCN(C(=O)C[NH+]1CC[C@@H](C)C1)C(C)C ZINC001449263996 967405650 /nfs/dbraw/zinc/40/56/50/967405650.db2.gz BOIYCKPPCZPZSV-OAHLLOKOSA-N 2 0 283.460 1.907 10 0 CDAERP CO[C@H](C)C[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001449323272 967433941 /nfs/dbraw/zinc/43/39/41/967433941.db2.gz PESFMUBMMAPMSJ-OLZOCXBDSA-N 2 0 287.448 1.094 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C)[C@@H](C(C)C)C1 ZINC001454886524 968561055 /nfs/dbraw/zinc/56/10/55/968561055.db2.gz FYCQRGDQWWIUEX-JKSUJKDBSA-N 2 0 295.471 1.905 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(CN(C)C)o2)C1 ZINC001456153865 968874658 /nfs/dbraw/zinc/87/46/58/968874658.db2.gz MORZEGCNKDLVCR-LBPRGKRZSA-N 2 0 279.384 1.555 10 0 CDAERP CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)[NH2+]C(C)(C)CC)C1 ZINC001457412840 969156769 /nfs/dbraw/zinc/15/67/69/969156769.db2.gz JIFGWTSCXMNJAB-OLZOCXBDSA-N 2 0 269.433 1.706 10 0 CDAERP CCCCOC(=O)CCN1CC2CCC1(C[NH3+])CC2 ZINC000848600744 969192441 /nfs/dbraw/zinc/19/24/41/969192441.db2.gz KBNQRKULYVLATB-UHFFFAOYSA-N 2 0 268.401 1.923 10 0 CDAERP CC[C@@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CCOC ZINC000849001830 969393274 /nfs/dbraw/zinc/39/32/74/969393274.db2.gz ISVUJNJCLHRIBX-NEPJUHHUSA-N 2 0 256.394 1.010 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCC[NH+](C)CC(C)C ZINC000849047073 969434914 /nfs/dbraw/zinc/43/49/14/969434914.db2.gz PCASYVSCRMSHGU-HNNXBMFYSA-N 3 0 297.491 1.563 10 0 CDAERP C[C@@H]([NH3+])c1cn([C@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000849151266 969910097 /nfs/dbraw/zinc/91/00/97/969910097.db2.gz YOLHNUYBLDAEIK-OCCSQVGLSA-N 2 0 271.368 1.745 10 0 CDAERP C[C@H](CNC1=[NH+]CCCCN1)[N@@H+]1CCC[C@H](C)C1 ZINC000849215297 969916457 /nfs/dbraw/zinc/91/64/57/969916457.db2.gz ASAMZYMIJWVRBE-QWHCGFSZSA-N 2 0 252.406 1.436 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)C1 ZINC001469705021 970266671 /nfs/dbraw/zinc/26/66/71/970266671.db2.gz OMWVEGUBENMYJS-LVQVYYBASA-N 2 0 293.455 1.517 10 0 CDAERP C[C@@H]1CCC[N@H+](CCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001361648260 970379867 /nfs/dbraw/zinc/37/98/67/970379867.db2.gz VGGCLNVVNQOZSF-BZUAXINKSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)C2([NH+](C)C)CCCC2)CC1 ZINC001361756410 970496874 /nfs/dbraw/zinc/49/68/74/970496874.db2.gz WNRBCQJIEYFOKY-UHFFFAOYSA-N 2 0 281.444 1.850 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C[NH2+]CCCF ZINC001495664521 972585136 /nfs/dbraw/zinc/58/51/36/972585136.db2.gz HHPYTZXEVHMVBH-GXTWGEPZSA-N 2 0 285.407 1.030 10 0 CDAERP CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CCCC[NH+](C)C ZINC001496484602 972938129 /nfs/dbraw/zinc/93/81/29/972938129.db2.gz CSVPLXYXKANSBQ-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001496532999 972960052 /nfs/dbraw/zinc/96/00/52/972960052.db2.gz DLOXUKFAXMRCAO-GJZGRUSLSA-N 2 0 283.460 1.857 10 0 CDAERP CC[C@H](C(=O)NC[C@H]([NH2+]CCF)C(C)C)[NH+](C)C ZINC001496568685 972973498 /nfs/dbraw/zinc/97/34/98/972973498.db2.gz CKAQNACZVZFTQL-NWDGAFQWSA-N 2 0 261.385 1.027 10 0 CDAERP CN(CC[N@H+](C)CCO)C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001496734641 973073567 /nfs/dbraw/zinc/07/35/67/973073567.db2.gz UVDDLOGYGJJPJJ-UHFFFAOYSA-N 2 0 299.459 1.022 10 0 CDAERP CN(CC[N@H+](C)C[C@@H]1CC[C@@H]2C[C@@H]2C1)C(=O)CC[NH+](C)C ZINC001496776959 973091984 /nfs/dbraw/zinc/09/19/84/973091984.db2.gz JTBQXKNKHYCXDX-OAGGEKHMSA-N 2 0 295.471 1.765 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC001417636883 973221482 /nfs/dbraw/zinc/22/14/82/973221482.db2.gz YQSFUHPSFFPQMO-CQSZACIVSA-N 2 0 283.460 1.765 10 0 CDAERP CC[C@H](C[NH+]1CCCC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001417642021 973227588 /nfs/dbraw/zinc/22/75/88/973227588.db2.gz SFZRDUBBNYVIBE-QLFBSQMISA-N 2 0 281.444 1.707 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC ZINC001373043438 973236119 /nfs/dbraw/zinc/23/61/19/973236119.db2.gz JNECTPLBAUJMCC-HZSPNIEDSA-N 2 0 285.407 1.361 10 0 CDAERP C[C@@H](CC[NH2+]CC1CC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001497192894 973239242 /nfs/dbraw/zinc/23/92/42/973239242.db2.gz HPWNGMUHKMJVME-OUCADQQQSA-N 2 0 267.417 1.221 10 0 CDAERP CC(C)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001417899878 973462981 /nfs/dbraw/zinc/46/29/81/973462981.db2.gz QGMPJXUZTKRRDX-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccn2)C1)[NH+](C)C ZINC001418102760 973586133 /nfs/dbraw/zinc/58/61/33/973586133.db2.gz GAVFRXDHZZCBGT-ZNMIVQPWSA-N 2 0 290.411 1.159 10 0 CDAERP C[C@H](F)CC[N@@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001418124561 973598436 /nfs/dbraw/zinc/59/84/36/973598436.db2.gz QSIUONDRMZHYHH-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001418122088 973598846 /nfs/dbraw/zinc/59/88/46/973598846.db2.gz IMGSRFKDGLCQSJ-RWMBFGLXSA-N 2 0 285.407 1.456 10 0 CDAERP C[C@@H](C[NH2+]C/C=C\Cl)NC(=O)C[N@H+](C)C1CCC1 ZINC001498054018 973651115 /nfs/dbraw/zinc/65/11/15/973651115.db2.gz XHKRGDYOIADQHT-IBHLPDHGSA-N 2 0 273.808 1.318 10 0 CDAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CCC(F)(F)F ZINC001418274628 973718534 /nfs/dbraw/zinc/71/85/34/973718534.db2.gz IXABNXVFYVQDBA-MNOVXSKESA-N 2 0 295.349 1.375 10 0 CDAERP CC(C)[NH+](C)CC(=O)N[C@H](C)C[N@H+](C)CC1CCC1 ZINC001498457578 973928471 /nfs/dbraw/zinc/92/84/71/973928471.db2.gz RYBNNTKBLLUURN-CYBMUJFWSA-N 2 0 269.433 1.563 10 0 CDAERP CC[N@H+](CCNC(=O)CC[NH+](C)C)Cc1cccc(C)c1 ZINC001418566905 973972052 /nfs/dbraw/zinc/97/20/52/973972052.db2.gz RGOKANCOXVHNFA-UHFFFAOYSA-N 2 0 291.439 1.885 10 0 CDAERP CCc1nocc1C[NH2+]C[C@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001374961835 974190663 /nfs/dbraw/zinc/19/06/63/974190663.db2.gz LWKBYDSJCWLRQT-SMDDNHRTSA-N 2 0 296.415 1.172 10 0 CDAERP C[C@H](C[N@H+](C)CC1CC1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001375086526 974254431 /nfs/dbraw/zinc/25/44/31/974254431.db2.gz ILMPWAMKPREFQE-CYBMUJFWSA-N 2 0 281.444 1.707 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC1CC1 ZINC001499559604 974266737 /nfs/dbraw/zinc/26/67/37/974266737.db2.gz YDYBPAGHIYSXCN-IYBDPMFKSA-N 2 0 293.455 1.804 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001499922992 974335510 /nfs/dbraw/zinc/33/55/10/974335510.db2.gz RFIWLKPNZMCMNF-CABCVRRESA-N 2 0 299.434 1.657 10 0 CDAERP CC[C@H](F)C[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001375531202 974405914 /nfs/dbraw/zinc/40/59/14/974405914.db2.gz QTOTWRCBYMQWPJ-STQMWFEESA-N 2 0 287.423 1.559 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001375498763 974406271 /nfs/dbraw/zinc/40/62/71/974406271.db2.gz NBIUTCXQRHCYDS-ZVDSWSACSA-N 2 0 295.471 1.857 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]CC2CC2)C2CCCC2)C1 ZINC001375794497 974478613 /nfs/dbraw/zinc/47/86/13/974478613.db2.gz YGEGGFBHNZRVRN-JKSUJKDBSA-N 2 0 293.455 1.613 10 0 CDAERP CC[C@@H](F)CN1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001376073213 974554210 /nfs/dbraw/zinc/55/42/10/974554210.db2.gz SSSNYAVXEMJVKT-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)C[NH2+][C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001376227227 974610461 /nfs/dbraw/zinc/61/04/61/974610461.db2.gz XZZISUNEGJTTHO-HZPDHXFCSA-N 2 0 293.455 1.469 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CC[C@H](CC[NH2+]CC2CCC2)C1 ZINC001501647507 974616881 /nfs/dbraw/zinc/61/68/81/974616881.db2.gz JTPOIDQKVZUOMK-INIZCTEOSA-N 2 0 293.455 1.711 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]1CCC[N@H+](CC2CCC2)C1)[NH+](C)C ZINC001376523599 974680171 /nfs/dbraw/zinc/68/01/71/974680171.db2.gz FLSQNFAKBCTXGK-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCC[NH+](CCF)C2)C1 ZINC001376538267 974684239 /nfs/dbraw/zinc/68/42/39/974684239.db2.gz GNUCIJYCXPSLSM-KGLIPLIRSA-N 2 0 285.407 1.126 10 0 CDAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1cncs1 ZINC001376796925 974773493 /nfs/dbraw/zinc/77/34/93/974773493.db2.gz CSHVERNXOJAVIW-NEPJUHHUSA-N 2 0 296.440 1.079 10 0 CDAERP CCC[NH2+]C1(C)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001502805565 974787417 /nfs/dbraw/zinc/78/74/17/974787417.db2.gz KWFUUJJKDNRTTB-UHFFFAOYSA-N 2 0 279.428 1.463 10 0 CDAERP CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(C)C)C1)[NH+](CC)CC ZINC001376912305 974815055 /nfs/dbraw/zinc/81/50/55/974815055.db2.gz PDCHNRKQQHAOSA-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001503208270 974816008 /nfs/dbraw/zinc/81/60/08/974816008.db2.gz HZGJVKFJBRHJHT-YNEHKIRRSA-N 2 0 255.406 1.219 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@@H](C[NH2+]Cc2ccns2)C1 ZINC001376946881 974826637 /nfs/dbraw/zinc/82/66/37/974826637.db2.gz YHRNDMGPIKAHKA-LBPRGKRZSA-N 2 0 296.440 1.033 10 0 CDAERP CCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001505986149 975072560 /nfs/dbraw/zinc/07/25/60/975072560.db2.gz QRZBBPSAVVEBHT-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)NCc1nocc1C ZINC001377885553 975165615 /nfs/dbraw/zinc/16/56/15/975165615.db2.gz SQIXTFKULYEVFI-CHWSQXEVSA-N 2 0 296.415 1.308 10 0 CDAERP Cc1ncc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C[NH+]2CCCC2)o1 ZINC001377916084 975174471 /nfs/dbraw/zinc/17/44/71/975174471.db2.gz SLPQTFWIMLHHRG-RYUDHWBXSA-N 2 0 294.399 1.062 10 0 CDAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH+](C)CC1CCCC1 ZINC001378148423 975261053 /nfs/dbraw/zinc/26/10/53/975261053.db2.gz VLDGRSRWLHTDNJ-LSDHHAIUSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](C)C[NH2+][C@@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001507116607 975341868 /nfs/dbraw/zinc/34/18/68/975341868.db2.gz CRRUKDUWSQMREW-KBPBESRZSA-N 2 0 283.460 1.811 10 0 CDAERP Cc1ncccc1C[NH2+][C@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001507118365 975343474 /nfs/dbraw/zinc/34/34/74/975343474.db2.gz NEWJYTPHSBCOFR-CYBMUJFWSA-N 2 0 292.427 1.278 10 0 CDAERP CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]C(C)C)[NH+](CC)CC ZINC001507121434 975344330 /nfs/dbraw/zinc/34/43/30/975344330.db2.gz ZIZDGECQJGAXPL-ZIAGYGMSSA-N 2 0 271.449 1.952 10 0 CDAERP CCCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001507149803 975355281 /nfs/dbraw/zinc/35/52/81/975355281.db2.gz RLVNTSQVOFCNHS-QWHCGFSZSA-N 2 0 257.422 1.563 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@@]12CCC[C@H]1[N@H+](CCCF)CC2 ZINC001507347073 975427074 /nfs/dbraw/zinc/42/70/74/975427074.db2.gz GKEWPJTZRQAQSN-GDBMZVCRSA-N 2 0 299.434 1.801 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N[C@@](C)(C[NH2+]CC2CC2)C2CC2)C1 ZINC001401027337 975437839 /nfs/dbraw/zinc/43/78/39/975437839.db2.gz RBRMRAHGCLXTKK-PBHICJAKSA-N 2 0 293.455 1.613 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001397082491 975458143 /nfs/dbraw/zinc/45/81/43/975458143.db2.gz WMTKOARQRHWSDH-MELADBBJSA-N 2 0 299.434 1.561 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CCF)C1 ZINC001507428353 975468082 /nfs/dbraw/zinc/46/80/82/975468082.db2.gz PGDCUUKUDACJFB-CHWSQXEVSA-N 2 0 273.396 1.171 10 0 CDAERP CO[C@@H](C)C[NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C ZINC001507442428 975472909 /nfs/dbraw/zinc/47/29/09/975472909.db2.gz HLOJLVAMYWJSAK-KBPBESRZSA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1C/C=C/Cl ZINC001397195487 975494482 /nfs/dbraw/zinc/49/44/82/975494482.db2.gz LTQCSVBESMVYAW-DGYDABPTSA-N 2 0 287.835 1.660 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](C(C)C)CC[C@@H]2C1 ZINC001397213963 975499315 /nfs/dbraw/zinc/49/93/15/975499315.db2.gz HCBXFRNLLFHWRV-CABCVRRESA-N 2 0 281.444 1.515 10 0 CDAERP CCCC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1C ZINC001397245196 975513364 /nfs/dbraw/zinc/51/33/64/975513364.db2.gz ZEATVPAWGDWOLP-KGLIPLIRSA-N 2 0 281.444 1.850 10 0 CDAERP CC(C)N(CC[N@@H+](C)C[C@H](C)O)C(=O)C[NH+](C)C1CCC1 ZINC001507794424 975546667 /nfs/dbraw/zinc/54/66/67/975546667.db2.gz VEHWIDVCLUMSFI-AWEZNQCLSA-N 2 0 299.459 1.020 10 0 CDAERP CC(C)[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC1CCC1 ZINC001379003197 975589275 /nfs/dbraw/zinc/58/92/75/975589275.db2.gz XGTONTIYFFOYDV-HNNXBMFYSA-N 2 0 293.455 1.613 10 0 CDAERP CC(C)[NH2+]CC[C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001405498091 975759282 /nfs/dbraw/zinc/75/92/82/975759282.db2.gz YSFOYLDAZTXZPS-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001405956768 975947977 /nfs/dbraw/zinc/94/79/77/975947977.db2.gz SAYWAMQJIRBGNK-HUUCEWRRSA-N 2 0 299.459 1.095 10 0 CDAERP CCC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)C1CC1 ZINC001389695328 975956542 /nfs/dbraw/zinc/95/65/42/975956542.db2.gz RRGUEEDSQBLUEJ-CABCVRRESA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)C[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001379625602 975963159 /nfs/dbraw/zinc/96/31/59/975963159.db2.gz LTBXFGGPKJRMTE-GOEBONIOSA-N 2 0 281.444 1.707 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001389999713 976079210 /nfs/dbraw/zinc/07/92/10/976079210.db2.gz AXBKTQFSSYJPEV-FVSXHXCTSA-N 2 0 273.808 1.318 10 0 CDAERP CN(C(=O)CC[NH+](C)C)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC001402022397 976084725 /nfs/dbraw/zinc/08/47/25/976084725.db2.gz MGXHPHYICQBTOJ-UHFFFAOYSA-N 2 0 281.444 1.517 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001398712346 976117553 /nfs/dbraw/zinc/11/75/53/976117553.db2.gz UXGXQCHNJKIXLI-GJZGRUSLSA-N 2 0 281.444 1.566 10 0 CDAERP C[C@H](C[NH2+]Cc1cccc(F)c1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001406425940 976179060 /nfs/dbraw/zinc/17/90/60/976179060.db2.gz CQXULUCJYHDPOY-OCCSQVGLSA-N 2 0 293.386 1.372 10 0 CDAERP CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001402244537 976198251 /nfs/dbraw/zinc/19/82/51/976198251.db2.gz MYLBRAOZGVNYPX-LBPRGKRZSA-N 2 0 291.386 1.422 10 0 CDAERP CO[C@H](C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C ZINC001402487519 976309750 /nfs/dbraw/zinc/30/97/50/976309750.db2.gz PPEXJQBQWXNTRP-QLFBSQMISA-N 2 0 297.443 1.038 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]([NH2+]CC2CCC2)C1 ZINC001402492308 976313795 /nfs/dbraw/zinc/31/37/95/976313795.db2.gz JPMDTPLZJHJGMB-JYJNAYRXSA-N 2 0 293.455 1.898 10 0 CDAERP CCCC[NH+]1CC(N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001380258799 976318325 /nfs/dbraw/zinc/31/83/25/976318325.db2.gz RJGUYTSYYJYTDI-UHFFFAOYSA-N 2 0 281.444 1.805 10 0 CDAERP CC(C)[NH+](C)CC(=O)N[C@H](C)C[N@H+](C)C[C@H]1CCCCO1 ZINC001406727361 976383199 /nfs/dbraw/zinc/38/31/99/976383199.db2.gz SRDMQHKPOCMHQY-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC2CC2)C1 ZINC001399267864 976403308 /nfs/dbraw/zinc/40/33/08/976403308.db2.gz ATOOICSETJSFHE-HUUCEWRRSA-N 2 0 281.444 1.754 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC[C@@H](C)F)CC1 ZINC001406928623 976483784 /nfs/dbraw/zinc/48/37/84/976483784.db2.gz ZLDHWLVYSDZHOW-KGLIPLIRSA-N 2 0 299.434 1.847 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CCF ZINC001402931631 976599777 /nfs/dbraw/zinc/59/97/77/976599777.db2.gz PVHSACMTBWBQIL-QWHCGFSZSA-N 2 0 273.396 1.171 10 0 CDAERP C[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)[C@H](C)[NH2+]CCF ZINC001403016497 976663143 /nfs/dbraw/zinc/66/31/43/976663143.db2.gz ISGXUDMZYJKVDW-STQMWFEESA-N 2 0 295.402 1.814 10 0 CDAERP CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001403098806 976709341 /nfs/dbraw/zinc/70/93/41/976709341.db2.gz LCYHYBHCWCXBCE-INIZCTEOSA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)OCC[N@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001381301083 976750674 /nfs/dbraw/zinc/75/06/74/976750674.db2.gz PLEJCLKVGRMXIP-HNNXBMFYSA-N 2 0 299.459 1.286 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001399938047 976761846 /nfs/dbraw/zinc/76/18/46/976761846.db2.gz ZQVXTNXFNLSERX-KGLIPLIRSA-N 2 0 299.434 1.514 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC=C(Cl)Cl ZINC001403145870 976762482 /nfs/dbraw/zinc/76/24/82/976762482.db2.gz VKMJOCVEXSUCFO-VHSXEESVSA-N 2 0 294.226 1.351 10 0 CDAERP CC[C@H](F)C[N@H+](C)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001403169444 976777914 /nfs/dbraw/zinc/77/79/14/976777914.db2.gz LGLXATMZIBACNY-OLZOCXBDSA-N 2 0 287.423 1.513 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001391251687 976779025 /nfs/dbraw/zinc/77/90/25/976779025.db2.gz CVPKVJWKMBHWBK-GASCZTMLSA-N 2 0 279.428 1.412 10 0 CDAERP CC(C)CC[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001408085938 976907379 /nfs/dbraw/zinc/90/73/79/976907379.db2.gz GIGVPXZCGYHGDT-HOCLYGCPSA-N 2 0 295.471 1.811 10 0 CDAERP C[NH+](C)CCC(=O)N1CC2(C1)CCC[N@H+](C/C=C/Cl)C2 ZINC001403402447 976934383 /nfs/dbraw/zinc/93/43/83/976934383.db2.gz DMMTXJVMCNOYAL-QPJJXVBHSA-N 2 0 299.846 1.615 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@H](C[N@H+](C)CCCF)C1 ZINC001400223439 976940191 /nfs/dbraw/zinc/94/01/91/976940191.db2.gz AAKLMTYOSRYNSL-CYBMUJFWSA-N 2 0 273.396 1.078 10 0 CDAERP CC[C@@H](C)C[N@H+](C)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001381612205 976949709 /nfs/dbraw/zinc/94/97/09/976949709.db2.gz SDXFCQALXLZTLQ-ZIAGYGMSSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]1C ZINC001408171573 976951366 /nfs/dbraw/zinc/95/13/66/976951366.db2.gz IJZJYCVWHWEQEO-GJZGRUSLSA-N 2 0 283.460 1.952 10 0 CDAERP CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001403443535 976958527 /nfs/dbraw/zinc/95/85/27/976958527.db2.gz FTYXMHKLANXKJX-APIJFGDWSA-N 2 0 281.444 1.277 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1CC[N@H+](CC(C)C)C1)[NH+](CC)CC ZINC001391593790 976982709 /nfs/dbraw/zinc/98/27/09/976982709.db2.gz OHWBBOKLRLEDHO-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001391692661 977048812 /nfs/dbraw/zinc/04/88/12/977048812.db2.gz GDNXPIMPRBJHAH-HIFRSBDPSA-N 2 0 281.444 1.898 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC1CC1 ZINC001403568589 977068261 /nfs/dbraw/zinc/06/82/61/977068261.db2.gz NZNJISFZTFHJKU-UKRRQHHQSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C[NH2+]CC1CCC1 ZINC001391888766 977135856 /nfs/dbraw/zinc/13/58/56/977135856.db2.gz QQFSRJIXLSOTOB-XJKSGUPXSA-N 2 0 293.455 1.470 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001403732824 977167801 /nfs/dbraw/zinc/16/78/01/977167801.db2.gz FTBCZNHFFWEONJ-GJZGRUSLSA-N 2 0 295.471 1.953 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC[N@@H+](C)CCC2CC2)C1 ZINC001403736436 977167833 /nfs/dbraw/zinc/16/78/33/977167833.db2.gz QBVVOUQCDUOHDY-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+]CC1CCCC1 ZINC001382140016 977184924 /nfs/dbraw/zinc/18/49/24/977184924.db2.gz GXJJMYGXAHANGY-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H](C[NH2+]CC1CC1)N(C)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001392129388 977229653 /nfs/dbraw/zinc/22/96/53/977229653.db2.gz WFEONCGIQLPRKN-BBRMVZONSA-N 2 0 279.428 1.319 10 0 CDAERP CC[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]C[C@@H]1CCCOC1 ZINC001400931708 977249419 /nfs/dbraw/zinc/24/94/19/977249419.db2.gz ZBTQWILFVGXYEW-LSDHHAIUSA-N 2 0 299.459 1.238 10 0 CDAERP CC(C)[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CCF ZINC001392237469 977274966 /nfs/dbraw/zinc/27/49/66/977274966.db2.gz RGVKPCSSWFYHNM-CHWSQXEVSA-N 2 0 273.396 1.028 10 0 CDAERP CCCC[N@@H+]1CCC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001404011060 977304089 /nfs/dbraw/zinc/30/40/89/977304089.db2.gz BSNUWEHGKVAMOB-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH+](CCC2CC2)C2CC2)C1 ZINC001404284300 977395849 /nfs/dbraw/zinc/39/58/49/977395849.db2.gz IXZVKIFGSGAOPW-HNNXBMFYSA-N 2 0 293.455 1.709 10 0 CDAERP CC[C@@H](F)C[N@H+](C)C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001392686835 977549054 /nfs/dbraw/zinc/54/90/54/977549054.db2.gz GZVXSSXQHOUNFN-ZIAGYGMSSA-N 2 0 299.434 1.799 10 0 CDAERP CO[C@H](C)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001393744598 977905736 /nfs/dbraw/zinc/90/57/36/977905736.db2.gz OLNKKCZSYLFOTN-ZIAGYGMSSA-N 2 0 297.443 1.086 10 0 CDAERP CC[C@H](C)C[N@H+](C)[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001394103915 978066823 /nfs/dbraw/zinc/06/68/23/978066823.db2.gz PQLNAYQRERKNHL-KBPBESRZSA-N 2 0 283.460 1.811 10 0 CDAERP CC[NH2+]CC(C)(C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001674872860 1174019826 /nfs/dbraw/zinc/01/98/26/1174019826.db2.gz RPQBIESAHLMLQV-UHFFFAOYSA-N 2 0 255.406 1.176 10 0 CDAERP CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001676782578 1174270859 /nfs/dbraw/zinc/27/08/59/1174270859.db2.gz HNAYYNOUJMQKCB-CABCVRRESA-N 2 0 281.444 1.851 10 0 CDAERP CCOCC[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H]1C ZINC001676879135 1174285635 /nfs/dbraw/zinc/28/56/35/1174285635.db2.gz KYXIPKIQSOXJBA-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)=CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC001676989734 1174304984 /nfs/dbraw/zinc/30/49/84/1174304984.db2.gz HIKDKCHOUVTTNM-GJZGRUSLSA-N 2 0 293.455 1.873 10 0 CDAERP CC(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001570608781 1170208800 /nfs/dbraw/zinc/20/88/00/1170208800.db2.gz SVGLOJVDPZEMIQ-CHWSQXEVSA-N 2 0 269.433 1.610 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)NCC[NH+]2CCCC2)CC1 ZINC000072826407 1171944026 /nfs/dbraw/zinc/94/40/26/1171944026.db2.gz MUVYIZMQSQKESO-UHFFFAOYSA-N 2 0 267.417 1.319 10 0 CDAERP CSC1(C[NH2+]Cc2ncnn2C(C)C)CC[NH+](C)CC1 ZINC000601125872 342471475 /nfs/dbraw/zinc/47/14/75/342471475.db2.gz WIEHAOQTTYDIEX-UHFFFAOYSA-N 2 0 297.472 1.776 10 0 CDAERP C[NH+](C)CCC1CCN(C(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000618560774 349485068 /nfs/dbraw/zinc/48/50/68/349485068.db2.gz OQSYVYMEGOHDNC-OAHLLOKOSA-N 2 0 296.459 1.454 10 0 CDAERP COc1ccc(C[NH2+]CCC2(C[NH3+])CC2)c(OC)c1OC ZINC000650712052 398154782 /nfs/dbraw/zinc/15/47/82/398154782.db2.gz OVDCGWUEMTTWOV-UHFFFAOYSA-N 2 0 294.395 1.931 10 0 CDAERP [NH3+]CC1(CC[NH2+]Cc2cccc3c2OCCO3)CC1 ZINC000650712677 398155644 /nfs/dbraw/zinc/15/56/44/398155644.db2.gz OVIQIDSUALXDMH-UHFFFAOYSA-N 2 0 262.353 1.676 10 0 CDAERP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(-n2cnnn2)cc1 ZINC000650743906 398172502 /nfs/dbraw/zinc/17/25/02/398172502.db2.gz BHCBPJJQMXUMHZ-GFCCVEGCSA-N 2 0 286.383 1.442 10 0 CDAERP C[C@@H](CC[NH2+][C@@H](C)C1CC[NH+](C)CC1)[S@](C)=O ZINC000252732742 342552679 /nfs/dbraw/zinc/55/26/79/342552679.db2.gz WNAUIPNZVKQAEA-PRXAMGSTSA-N 2 0 260.447 1.463 10 0 CDAERP CCOC(=O)c1ncc(CN2CC[C@H](C)[C@@H](C[NH3+])C2)s1 ZINC000601326269 342553953 /nfs/dbraw/zinc/55/39/53/342553953.db2.gz SSCGWTXAYZPXKT-QWRGUYRKSA-N 2 0 297.424 1.737 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCCc2c1ccc(=O)n2C ZINC000650764586 398184213 /nfs/dbraw/zinc/18/42/13/398184213.db2.gz DWZMZFLZEHSLJI-GMXVVIOVSA-N 2 0 263.385 1.478 10 0 CDAERP Cc1cc(N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc[nH+]1 ZINC000274393757 365648818 /nfs/dbraw/zinc/64/88/18/365648818.db2.gz WHJJGXYSMLFECF-KRWDZBQOSA-N 2 0 288.439 1.996 10 0 CDAERP [NH3+]CCN1CC[NH2+][C@@H](c2ccc3ccncc3c2)C1 ZINC000616653722 342123844 /nfs/dbraw/zinc/12/38/44/342123844.db2.gz GFGNWZGFOMJCSO-OAHLLOKOSA-N 2 0 256.353 1.140 10 0 CDAERP COC(=O)[C@@H](CC(C)C)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000592185552 342679945 /nfs/dbraw/zinc/67/99/45/342679945.db2.gz XVYFUOUEPALHOF-CQSZACIVSA-N 2 0 298.427 1.371 10 0 CDAERP CC(=O)Nc1ccccc1[C@H]1CCCN(CC[NH3+])C1 ZINC000616610041 361839185 /nfs/dbraw/zinc/83/91/85/361839185.db2.gz FGDVKCHSINAHHG-ZDUSSCGKSA-N 2 0 261.369 1.783 10 0 CDAERP CCOC[C@@H]1C[N@H+](CCC[NH3+])C[C@@H]1C(F)(F)F ZINC000409436032 342169479 /nfs/dbraw/zinc/16/94/79/342169479.db2.gz XTQWZAWLROAUJY-UWVGGRQHSA-N 2 0 254.296 1.482 10 0 CDAERP C[NH2+][C@H]1CCC[C@H]1N1CC[NH+](Cc2ccccc2)CC1 ZINC000409440022 342169746 /nfs/dbraw/zinc/16/97/46/342169746.db2.gz JJFGWLMVUUVFNF-DLBZAZTESA-N 2 0 273.424 1.945 10 0 CDAERP [NH3+]CCCOCC[NH2+]C1CCC2(CCOCC2)CC1 ZINC000629399400 361935236 /nfs/dbraw/zinc/93/52/36/361935236.db2.gz FQCCSBMWSWNBCE-UHFFFAOYSA-N 2 0 270.417 1.681 10 0 CDAERP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]CCOCCC[NH3+] ZINC000629399221 361935593 /nfs/dbraw/zinc/93/55/93/361935593.db2.gz DHGXMTULBQSAEW-ZDUSSCGKSA-N 2 0 290.411 1.839 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000629399940 361936574 /nfs/dbraw/zinc/93/65/74/361936574.db2.gz MRCRZPBBSKTOIN-UHFFFAOYSA-N 2 0 274.368 1.327 10 0 CDAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1N[C@@H]1CC[NH2+][C@H]1C ZINC000629408042 361960454 /nfs/dbraw/zinc/96/04/54/361960454.db2.gz PCRUEZYIJGPMBO-XJNFMUPTSA-N 2 0 273.424 1.847 10 0 CDAERP Cc1cnn(CC[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000652349116 539039212 /nfs/dbraw/zinc/03/92/12/539039212.db2.gz ASKGZEZDUZDDIP-HRCADAONSA-N 2 0 292.427 1.410 10 0 CDAERP CC[C@@](C)(C[NH3+])[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000669377021 539072019 /nfs/dbraw/zinc/07/20/19/539072019.db2.gz DNOOZBYDVMAGFX-HOTGVXAUSA-N 2 0 262.397 1.998 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CCC[N@H+](C)C(C)C ZINC000594914998 342984803 /nfs/dbraw/zinc/98/48/03/342984803.db2.gz OGLKXMHXLUUVLN-JHJVBQTASA-N 2 0 256.390 1.504 10 0 CDAERP COC(=O)[C@H]1C[C@@H]([N@H+](C)CCCC2CC[NH2+]CC2)C1 ZINC000595905192 343188486 /nfs/dbraw/zinc/18/84/86/343188486.db2.gz QKAKFWCJSHHASS-OKILXGFUSA-N 2 0 268.401 1.650 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)o1 ZINC000645104587 362118408 /nfs/dbraw/zinc/11/84/08/362118408.db2.gz PCOPPPFXMCKOFT-WCQYABFASA-N 2 0 277.368 1.343 10 0 CDAERP C[C@@H]1[C@H](C(F)(F)F)OCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000629502324 362118813 /nfs/dbraw/zinc/11/88/13/362118813.db2.gz WWYJYEBCYBWELV-MWLCHTKSSA-N 2 0 266.307 1.638 10 0 CDAERP NC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000629524233 362142023 /nfs/dbraw/zinc/14/20/23/362142023.db2.gz OMZNCTWGWVDJOO-HTVCTNPSSA-N 2 0 265.401 1.151 10 0 CDAERP CC(C)n1ccc(C[C@@H](C)[NH2+]CC2CC[NH2+]CC2)n1 ZINC000567462615 362134868 /nfs/dbraw/zinc/13/48/68/362134868.db2.gz XEUUYBDFNPMACK-CYBMUJFWSA-N 2 0 264.417 1.984 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000629529268 362155400 /nfs/dbraw/zinc/15/54/00/362155400.db2.gz XFXCLFDAIHLBTC-SNVBAGLBSA-N 2 0 258.312 1.851 10 0 CDAERP CCCN(CC(F)(F)F)C(=O)CN1CC[C@@](C)(C[NH3+])C1 ZINC000629530625 362158958 /nfs/dbraw/zinc/15/89/58/362158958.db2.gz LXXBTWHILKLCBF-LBPRGKRZSA-N 2 0 295.349 1.458 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000629531769 362162553 /nfs/dbraw/zinc/16/25/53/362162553.db2.gz XQKIPLVDNAVEGD-QLFBSQMISA-N 3 0 269.433 1.123 10 0 CDAERP COC(=O)C1(c2ccccc2)CC[NH+]([C@@H](C)CC[NH3+])CC1 ZINC000034529741 342445887 /nfs/dbraw/zinc/44/58/87/342445887.db2.gz RWVDSTCOFZCGFO-AWEZNQCLSA-N 2 0 290.407 1.931 10 0 CDAERP C[NH+](C)[C@H]1CCCN(C[C@@H]2CCCCC[N@@H+]2C)C1 ZINC000032578294 282256401 /nfs/dbraw/zinc/25/64/01/282256401.db2.gz QZDASCAGXWXXKA-GJZGRUSLSA-N 2 0 253.434 1.887 10 0 CDAERP Nc1nc(N2CC[NH+](C3CCC3)CC2)c2c([nH+]1)CCCC2 ZINC000645170353 362210319 /nfs/dbraw/zinc/21/03/19/362210319.db2.gz GDYAOIVQEJXCFG-UHFFFAOYSA-N 2 0 287.411 1.442 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000250496438 344041549 /nfs/dbraw/zinc/04/15/49/344041549.db2.gz JIULGTUUUOHTQF-RDBSUJKOSA-N 2 0 267.417 1.350 10 0 CDAERP CCC(O)(CC)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000368608457 282313692 /nfs/dbraw/zinc/31/36/92/282313692.db2.gz OYQAZCSAQRKDJQ-MCIONIFRSA-N 2 0 254.418 2.000 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000257646416 344370065 /nfs/dbraw/zinc/37/00/65/344370065.db2.gz AIBNZBRGVPOOEN-UONOGXRCSA-N 2 0 267.417 1.367 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000257690406 344370834 /nfs/dbraw/zinc/37/08/34/344370834.db2.gz LNQPKPJOFTZATJ-KGLIPLIRSA-N 2 0 267.417 1.448 10 0 CDAERP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc2ccccc2c1 ZINC000263252602 362396007 /nfs/dbraw/zinc/39/60/07/362396007.db2.gz QBPQJTBYGRCMHM-CVEARBPZSA-N 2 0 256.349 1.510 10 0 CDAERP CN(Cc1ccc2c(c1)OCCO2)C[C@]1(C)CC[NH2+]C1 ZINC000571403582 362493176 /nfs/dbraw/zinc/49/31/76/362493176.db2.gz LNWQCYLOMFHHMX-MRXNPFEDSA-N 2 0 276.380 1.889 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000607927598 345470056 /nfs/dbraw/zinc/47/00/56/345470056.db2.gz GWWIFMRTHBFFKH-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP CCN(C(=O)[C@H]1CCc2cnc(C)n2C1)[C@H]1CC[N@H+](C)C1 ZINC000617551694 345845691 /nfs/dbraw/zinc/84/56/91/345845691.db2.gz XELCVNNGIXCIDW-ZFWWWQNUSA-N 2 0 290.411 1.307 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000553519838 290124180 /nfs/dbraw/zinc/12/41/80/290124180.db2.gz MIIQSGDHIWDFGU-KBPBESRZSA-N 2 0 269.433 1.421 10 0 CDAERP C[C@@H]1CN(CC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CCO1 ZINC000623403887 346171478 /nfs/dbraw/zinc/17/14/78/346171478.db2.gz KMULWEUDNMVNQF-KGLIPLIRSA-N 2 0 269.433 1.170 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CCCN2CCCCC2=O)CC1(C)C ZINC000623408089 346238571 /nfs/dbraw/zinc/23/85/71/346238571.db2.gz HZONZUVRUOVIDC-CQSZACIVSA-N 2 0 281.444 1.851 10 0 CDAERP C[NH+](C)CCN(C(=O)[C@@H]1CCC[C@@H]1[NH3+])C1CCCC1 ZINC000085369386 179039070 /nfs/dbraw/zinc/03/90/70/179039070.db2.gz FMZRNTUAZVTQSO-KGLIPLIRSA-N 2 0 267.417 1.447 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000085370702 179040556 /nfs/dbraw/zinc/04/05/56/179040556.db2.gz XWIPXGLOOJKNAB-KKUMJFAQSA-N 2 0 275.396 1.533 10 0 CDAERP C[C@H](C[N@@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1)C(N)=O ZINC000085403672 179053375 /nfs/dbraw/zinc/05/33/75/179053375.db2.gz GTGNCVHJWZEOII-TZMCWYRMSA-N 2 0 267.417 1.352 10 0 CDAERP C1CC1c1nc2c(n1[C@H]1CC[N@@H+]3CCC[C@@H]13)CC[NH2+]C2 ZINC000085573097 179098643 /nfs/dbraw/zinc/09/86/43/179098643.db2.gz MUCOISNNSFHSON-GJZGRUSLSA-N 2 0 272.396 1.815 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COCc2ccco2)CC[N@@H+]1C ZINC000226876843 346523921 /nfs/dbraw/zinc/52/39/21/346523921.db2.gz HMEZYVQZSHXNCW-HZSPNIEDSA-N 2 0 282.384 1.229 10 0 CDAERP CCCc1nc2c(n1CC1CC[NH+](C)CC1)CC[NH2+]C2 ZINC000085573534 179099681 /nfs/dbraw/zinc/09/96/81/179099681.db2.gz PAMQVVDEGQKXCJ-UHFFFAOYSA-N 2 0 276.428 1.823 10 0 CDAERP CCC[NH2+][C@H](CCO)CN(C)C1CC[NH+](CC)CC1 ZINC000085922445 179201060 /nfs/dbraw/zinc/20/10/60/179201060.db2.gz HPCUXUXPXYVNDB-CQSZACIVSA-N 2 0 271.449 1.153 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@]2(C)CC[NH2+]C2)cc1 ZINC000612914503 347329008 /nfs/dbraw/zinc/32/90/08/347329008.db2.gz FUTWIMIGRNWJTO-IAQYHMDHSA-N 2 0 276.384 1.258 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)N[C@H]2CC23CC[NH2+]CC3)CC[N@@H+]1C ZINC000612973838 347350545 /nfs/dbraw/zinc/35/05/45/347350545.db2.gz MSRUUSZFJQQFQT-RDBSUJKOSA-N 2 0 294.443 1.253 10 0 CDAERP CC[NH+]1CCC(C[N@@H+]2CCNC3(CCCC3)C2)CC1 ZINC000086145689 179238571 /nfs/dbraw/zinc/23/85/71/179238571.db2.gz OTAJLORQPYUDMA-UHFFFAOYSA-N 2 0 265.445 1.936 10 0 CDAERP C[C@@H]1C[NH2+][C@H](C2CC2)CN1C[C@@H]1CCC[N@H+](C)C1 ZINC000086259269 179258593 /nfs/dbraw/zinc/25/85/93/179258593.db2.gz HYYLTGJJDBBLIK-NFAWXSAZSA-N 2 0 251.418 1.401 10 0 CDAERP CN(C)c1nccc(CN[C@@H]2CC[N@H+](C)C(C)(C)C2)n1 ZINC000623484057 347598680 /nfs/dbraw/zinc/59/86/80/347598680.db2.gz BTZDQNADFFOREP-GFCCVEGCSA-N 2 0 277.416 1.505 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CC[C@H](C(N)=O)C2)CC1(C)C ZINC000623543527 347625313 /nfs/dbraw/zinc/62/53/13/347625313.db2.gz XULJMLBCIDEDCM-QJPTWQEYSA-N 2 0 253.390 1.103 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](CO)C2)CC1(C)C ZINC000623551681 347628615 /nfs/dbraw/zinc/62/86/15/347628615.db2.gz CHBRWZSYBXVALT-MJBXVCDLSA-N 2 0 254.418 2.000 10 0 CDAERP CCNC(=O)C1(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CCC1 ZINC000623506879 347608705 /nfs/dbraw/zinc/60/87/05/347608705.db2.gz LHDMTOTWSOKDJN-CYBMUJFWSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H]([NH3+])[C@@H](c1ccncc1)N(C)CCC[NH+](C)C ZINC000104186972 185919275 /nfs/dbraw/zinc/91/92/75/185919275.db2.gz HEJGTMZCHFOKJP-JSGCOSHPSA-N 2 0 250.390 1.353 10 0 CDAERP C/C=C/CNC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000623639166 348721576 /nfs/dbraw/zinc/72/15/76/348721576.db2.gz CFMGMITWMVNLLC-OOPCZODUSA-N 2 0 280.416 1.030 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](C)[C@H](C)C2)CC[N@@H+]1C ZINC000631468855 362944257 /nfs/dbraw/zinc/94/42/57/362944257.db2.gz NVXZSFUWFRAWPX-CBBWQLFWSA-N 2 0 281.444 1.658 10 0 CDAERP C[C@H]([NH2+][C@H]1CCCN(CCCO)C1)[C@@H]1CCCCO1 ZINC000623991202 349383139 /nfs/dbraw/zinc/38/31/39/349383139.db2.gz ABNHDUIVVGFUQB-KKUMJFAQSA-N 2 0 270.417 1.380 10 0 CDAERP COc1ccc2c(c1)[C@@H]([NH2+]CCOCCC[NH3+])CC2 ZINC000629539011 362955674 /nfs/dbraw/zinc/95/56/74/362955674.db2.gz NULISPTWBIWTAM-HNNXBMFYSA-N 2 0 264.369 1.638 10 0 CDAERP C[C@@H]1CC2(C[N@@H+]1CCOC1CCOCC1)CC[NH2+]CC2 ZINC000629538537 362955137 /nfs/dbraw/zinc/95/51/37/362955137.db2.gz NMWYITSPOJTAAZ-CQSZACIVSA-N 2 0 282.428 1.646 10 0 CDAERP Cc1nc(C)c(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)o1 ZINC000628228488 362956151 /nfs/dbraw/zinc/95/61/51/362956151.db2.gz QCQOCLJKRPRSLA-UHFFFAOYSA-N 2 0 281.400 1.616 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@H]1CCCNc2ccccc21 ZINC000629535435 362961146 /nfs/dbraw/zinc/96/11/46/362961146.db2.gz CQNOXNNHCWVHSL-HNNXBMFYSA-N 2 0 263.385 1.888 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+]CC(C)(C)C(=O)N1CCCC1 ZINC000629545978 362972520 /nfs/dbraw/zinc/97/25/20/362972520.db2.gz DZMVFLKHGDCRMK-ZDUSSCGKSA-N 2 0 269.433 1.742 10 0 CDAERP CCn1nccc1CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000621775817 350772090 /nfs/dbraw/zinc/77/20/90/350772090.db2.gz ZPTNUYSPUDJUMG-OKILXGFUSA-N 2 0 262.401 1.377 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1cnn(C(C)(C)C)c1 ZINC000629572223 363027174 /nfs/dbraw/zinc/02/71/74/363027174.db2.gz OTNZFXZAHHAZQV-UHFFFAOYSA-N 2 0 268.405 1.306 10 0 CDAERP CO[C@H](C[N@H+](C)C1CC[NH+](C(C)C)CC1)[C@H]1CCOC1 ZINC000659869678 412569256 /nfs/dbraw/zinc/56/92/56/412569256.db2.gz YJJYESOCTJTQGG-GOEBONIOSA-N 2 0 284.444 1.843 10 0 CDAERP C[C@H]([NH3+])C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000157643253 188330179 /nfs/dbraw/zinc/33/01/79/188330179.db2.gz MDHLUPXNPPDDOB-ZDUSSCGKSA-N 2 0 291.395 1.837 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1cccc(OC)c1OC ZINC000629653062 363252435 /nfs/dbraw/zinc/25/24/35/363252435.db2.gz LUPXEHHVPVLVSS-UHFFFAOYSA-N 2 0 282.384 1.372 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1cccc2c1OCO2 ZINC000629653495 363253111 /nfs/dbraw/zinc/25/31/11/363253111.db2.gz OTJRAZCCOIRHTP-UHFFFAOYSA-N 2 0 266.341 1.083 10 0 CDAERP C1=C(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)COCC1 ZINC000629649561 363249109 /nfs/dbraw/zinc/24/91/09/363249109.db2.gz WCWGXNRJHFNFKA-GJZGRUSLSA-N 2 0 250.386 1.797 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)CCCF)CC[N@@H+]1C ZINC001660150025 1172166850 /nfs/dbraw/zinc/16/68/50/1172166850.db2.gz KNUKZEXNDWPCQO-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP C[N@H+](CCOCC[NH3+])Cc1cccc2cnccc21 ZINC000629667148 363307136 /nfs/dbraw/zinc/30/71/36/363307136.db2.gz UZYKNSADLZKROM-UHFFFAOYSA-N 2 0 259.353 1.642 10 0 CDAERP CN(CC[N@H+](C)C1CC1)C(=O)CC[C@@H]1CCCC[NH+]1C ZINC000356282842 366215871 /nfs/dbraw/zinc/21/58/71/366215871.db2.gz NXBTZPVZIIUAIV-AWEZNQCLSA-N 2 0 281.444 1.804 10 0 CDAERP C[C@H]1C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCCO1 ZINC000211938942 356582061 /nfs/dbraw/zinc/58/20/61/356582061.db2.gz ZZWHXETZNPWRLW-ZDUSSCGKSA-N 2 0 260.381 1.943 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@H]([NH+](C)C)C1(C)C)[NH+](C)C ZINC000636097943 363515456 /nfs/dbraw/zinc/51/54/56/363515456.db2.gz MJHGZRRSOOJKMP-WOPDTQHZSA-N 2 0 255.406 1.172 10 0 CDAERP [NH3+]CCCN1CC[NH+](CCCc2ccccc2)CC1 ZINC000019852842 356735430 /nfs/dbraw/zinc/73/54/30/356735430.db2.gz QXAVRIBVRRIVFU-UHFFFAOYSA-N 2 0 261.413 1.586 10 0 CDAERP C[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)C1CC[NH+](C)CC1 ZINC000300410418 538650364 /nfs/dbraw/zinc/65/03/64/538650364.db2.gz HMMBEFXYELMMPA-AEGPPILISA-N 2 0 254.418 1.857 10 0 CDAERP CC(C)(C)OC(=O)N1C[C@H](C[NH3+])[C@H]([NH+]2CCCC2)C1 ZINC000058041270 357375683 /nfs/dbraw/zinc/37/56/83/357375683.db2.gz ZEJJUVYIKSWJFY-NWDGAFQWSA-N 2 0 269.389 1.276 10 0 CDAERP C[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)CC[C@@H]1CCCC[NH+]1C)CC2 ZINC000354333226 283261855 /nfs/dbraw/zinc/26/18/55/283261855.db2.gz TVQGMXPZNYOWMK-XHSDSOJGSA-N 2 0 293.455 1.946 10 0 CDAERP CC(C)[C@H](C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[NH+](C)C ZINC000634745191 358196209 /nfs/dbraw/zinc/19/62/09/358196209.db2.gz YKJYNFWQMFRDAS-YUELXQCFSA-N 2 0 267.417 1.031 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](C)C[C@@H]2C(C)C)CC[N@@H+]1C ZINC000631423042 358359287 /nfs/dbraw/zinc/35/92/87/358359287.db2.gz JVIDKSUFPOBMCL-RRFJBIMHSA-N 2 0 281.444 1.515 10 0 CDAERP C[NH+](C)CC(=O)N1CC[C@H](c2cccc(F)c2)[C@@H]([NH3+])C1 ZINC000616569302 358566922 /nfs/dbraw/zinc/56/69/22/358566922.db2.gz IEEBZEKQTKPCQJ-KGLIPLIRSA-N 2 0 279.359 1.031 10 0 CDAERP CC(C)[C@@](C)(O)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000185007303 358773116 /nfs/dbraw/zinc/77/31/16/358773116.db2.gz CIBCQGCPSHDWRA-HNNXBMFYSA-N 2 0 254.418 1.954 10 0 CDAERP COC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)C(C)C ZINC000151320345 358802274 /nfs/dbraw/zinc/80/22/74/358802274.db2.gz VCZLZHDEOOHZDB-ZIAGYGMSSA-N 2 0 258.406 1.094 10 0 CDAERP c1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)cc1 ZINC000261889123 359078918 /nfs/dbraw/zinc/07/89/18/359078918.db2.gz GGXVRXKBUYPIKM-ZACQAIPSSA-N 2 0 274.408 1.976 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000262306165 359153604 /nfs/dbraw/zinc/15/36/04/359153604.db2.gz YHOIAALJRNFBEC-LJISPDSOSA-N 2 0 273.380 1.067 10 0 CDAERP [NH3+]C[C@H](NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)C1CCCCC1 ZINC000262444295 359170831 /nfs/dbraw/zinc/17/08/31/359170831.db2.gz ORJXNNBVJFZHJL-WCVJEAGWSA-N 2 0 293.455 1.931 10 0 CDAERP C[NH+](C)Cc1cc(CNC(=O)[C@@H]2CCC[N@@H+]2C)ccc1F ZINC000115415406 359542576 /nfs/dbraw/zinc/54/25/76/359542576.db2.gz YJNWMNLPZNMUBC-HNNXBMFYSA-N 2 0 293.386 1.598 10 0 CDAERP CCC[C@@H](C(=O)N1CCC([NH+]2CCCC2)CC1)[NH+](C)C ZINC000152459890 283462559 /nfs/dbraw/zinc/46/25/59/283462559.db2.gz CCPSTVDJGWNWKP-HNNXBMFYSA-N 2 0 281.444 1.804 10 0 CDAERP CCC[N@@H+]1CC[C@H](CN[C@@H](C)c2c[nH+]ccc2N)C1 ZINC000422972624 359729271 /nfs/dbraw/zinc/72/92/71/359729271.db2.gz MJFDBMCDKPTYMR-QWHCGFSZSA-N 2 0 262.401 1.877 10 0 CDAERP CCNC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)C1 ZINC000090410054 360212759 /nfs/dbraw/zinc/21/27/59/360212759.db2.gz LUVCIMRLAIPTTR-MELADBBJSA-N 2 0 282.432 1.110 10 0 CDAERP CC[C@@H]1CCCCN1C(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000336542757 363721364 /nfs/dbraw/zinc/72/13/64/363721364.db2.gz ORLUTYGEJKVVEE-OAHLLOKOSA-N 2 0 293.455 1.853 10 0 CDAERP C[C@H]([NH3+])c1ccc(C(=O)N2CCC([NH+](C)C)CC2)cc1 ZINC000335591710 360444675 /nfs/dbraw/zinc/44/46/75/360444675.db2.gz XJWGLUSIXSHQDY-LBPRGKRZSA-N 2 0 275.396 1.873 10 0 CDAERP Cc1c(Cl)c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)nn1C ZINC000335556136 360417935 /nfs/dbraw/zinc/41/79/35/360417935.db2.gz PCSYMVXNIFICIT-TXEJJXNPSA-N 2 0 282.819 1.813 10 0 CDAERP [NH3+][C@@H](CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)C1CC1 ZINC000515004921 360419894 /nfs/dbraw/zinc/41/98/94/360419894.db2.gz OTTLIYFLDCNSJP-GJZGRUSLSA-N 2 0 294.443 1.384 10 0 CDAERP C[C@]1(C[N@@H+]2CCC[C@H](N3CCOCC3)CC2)CC[NH2+]C1 ZINC000566482028 360454549 /nfs/dbraw/zinc/45/45/49/360454549.db2.gz LUEHFGTUYMGBRH-HOTGVXAUSA-N 2 0 281.444 1.173 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000626937015 360656410 /nfs/dbraw/zinc/65/64/10/360656410.db2.gz NITKUPUSOVJZCL-SOUVJXGZSA-N 2 0 296.459 1.548 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C[NH2+]1 ZINC000626940657 360671724 /nfs/dbraw/zinc/67/17/24/360671724.db2.gz SNNKOVARDBIYAG-XJFOESAGSA-N 2 0 280.416 1.053 10 0 CDAERP CN(C(=O)c1ccc2c(c1)C[NH2+]C2)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000335727943 360855813 /nfs/dbraw/zinc/85/58/13/360855813.db2.gz MNTGBASRCZFJCS-INIZCTEOSA-N 2 0 285.391 1.599 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000418692034 296026067 /nfs/dbraw/zinc/02/60/67/296026067.db2.gz FJEBXEMHCYFRGT-KGLIPLIRSA-N 2 0 298.475 1.876 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000417532676 291279596 /nfs/dbraw/zinc/27/95/96/291279596.db2.gz LLOGJTOGQQMFRM-CRWXNKLISA-N 2 0 282.432 1.380 10 0 CDAERP Nc1ccnc(CN2CC[C@@H](CNc3ccccn3)C2)n1 ZINC000135091677 361687673 /nfs/dbraw/zinc/68/76/73/361687673.db2.gz FSASLSDXFGUAJV-LBPRGKRZSA-N 2 0 284.367 1.388 10 0 CDAERP Cc1ncc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000340434350 370720186 /nfs/dbraw/zinc/72/01/86/370720186.db2.gz KJXRJOJXTBMTAO-OKILXGFUSA-N 2 0 292.427 1.764 10 0 CDAERP C[NH+](CCNC(=O)C[N@@H+](C)C1CCC1)C1CCCCC1 ZINC000629949657 364240899 /nfs/dbraw/zinc/24/08/99/364240899.db2.gz WKQRORRWJSKQTO-UHFFFAOYSA-N 2 0 281.444 1.851 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)CC[C@H](C)[NH3+])C1 ZINC000248860164 364304481 /nfs/dbraw/zinc/30/44/81/364304481.db2.gz LYCHMFBCTWORQA-STQMWFEESA-N 2 0 255.406 1.350 10 0 CDAERP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CC[C@H](C)[NH3+] ZINC000248897319 364342631 /nfs/dbraw/zinc/34/26/31/364342631.db2.gz XZXYPAJUUORYOY-FRRDWIJNSA-N 2 0 255.406 1.350 10 0 CDAERP c1cnnc(N2CCCN(CCC[NH+]3CCCC3)CC2)c1 ZINC000163122587 364690576 /nfs/dbraw/zinc/69/05/76/364690576.db2.gz SAMKSAOUUGNFKT-UHFFFAOYSA-N 2 0 289.427 1.475 10 0 CDAERP Cc1nccn1CCN1CCN(CC(F)F)CC1 ZINC000270651274 364692018 /nfs/dbraw/zinc/69/20/18/364692018.db2.gz MASCUSVUCULDIS-UHFFFAOYSA-N 2 0 258.316 1.074 10 0 CDAERP C[N@H+](CCNC(=O)NC[C@@H]1CCC[NH+]1C)C1CCCC1 ZINC000105191845 364692743 /nfs/dbraw/zinc/69/27/43/364692743.db2.gz IUFVMYGKCJRKPX-AWEZNQCLSA-N 2 0 282.432 1.254 10 0 CDAERP Cc1nccn1CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353501326 365260840 /nfs/dbraw/zinc/26/08/40/365260840.db2.gz ZCPAXARNHAWRPN-RBSFLKMASA-N 2 0 262.401 1.654 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)c1c[nH+]ccc1N(C)C ZINC000353508535 365266097 /nfs/dbraw/zinc/26/60/97/365266097.db2.gz GLZGQKWFDYNHJH-UHFFFAOYSA-N 2 0 278.400 1.609 10 0 CDAERP COCC[C@H](COC)[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000353650509 365357600 /nfs/dbraw/zinc/35/76/00/365357600.db2.gz RCWONYQXNULUSN-OUCADQQQSA-N 2 0 256.390 1.110 10 0 CDAERP CCc1cccc(F)c1C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000354402865 365458675 /nfs/dbraw/zinc/45/86/75/365458675.db2.gz IFRLSUGQGAUHMD-UHFFFAOYSA-N 2 0 280.387 1.934 10 0 CDAERP [NH3+]CCC[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000414687839 241319819 /nfs/dbraw/zinc/31/98/19/241319819.db2.gz IIFJPEPDZZNIIZ-UHFFFAOYSA-N 2 0 287.407 1.637 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000626971080 367109466 /nfs/dbraw/zinc/10/94/66/367109466.db2.gz XZTKTQXTTSEKRH-MELADBBJSA-N 2 0 282.432 1.156 10 0 CDAERP C[C@H]1CC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[NH2+]1 ZINC000626988167 367176869 /nfs/dbraw/zinc/17/68/69/367176869.db2.gz HLEKSAHRFVJASB-UUQIVFDPSA-N 2 0 294.443 1.441 10 0 CDAERP C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CN(C)CCN2C)CC1 ZINC000252218443 367374488 /nfs/dbraw/zinc/37/44/88/367374488.db2.gz YJIZFYVNGYSVOW-ILXRZTDVSA-N 2 0 253.434 1.791 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000250250318 367469334 /nfs/dbraw/zinc/46/93/34/367469334.db2.gz NFRMHAVIXBNIBC-CABCVRRESA-N 2 0 273.380 1.502 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)NCC[NH+]1CC=C(C)CC1 ZINC000358197454 367506733 /nfs/dbraw/zinc/50/67/33/367506733.db2.gz WPMBUSZDIWWAMN-HNNXBMFYSA-N 2 0 296.459 1.668 10 0 CDAERP [NH3+]CCCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000416787640 242133498 /nfs/dbraw/zinc/13/34/98/242133498.db2.gz OTAATKSTDXQZAK-OAHLLOKOSA-N 2 0 290.411 1.472 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000627158410 367585930 /nfs/dbraw/zinc/58/59/30/367585930.db2.gz UGTKQFXKWKPGLT-LJISPDSOSA-N 2 0 294.443 1.158 10 0 CDAERP CC(C)[NH+](CCNC(=O)N[C@H]1CC[NH2+]C[C@H]1C)C(C)C ZINC000416799940 242145151 /nfs/dbraw/zinc/14/51/51/242145151.db2.gz FBMLTHHBDCQHDP-KGLIPLIRSA-N 2 0 284.448 1.402 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000232924380 367576396 /nfs/dbraw/zinc/57/63/96/367576396.db2.gz WOPATQGTGNISKH-HNNXBMFYSA-N 2 0 293.455 1.851 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000627168617 367603748 /nfs/dbraw/zinc/60/37/48/367603748.db2.gz ZJYYKILQBMYJNY-HZSPNIEDSA-N 2 0 282.432 1.110 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000416839607 242179888 /nfs/dbraw/zinc/17/98/88/242179888.db2.gz KDSWWPONCAQJNY-COPLHBTASA-N 2 0 296.390 1.463 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC000627164470 367595823 /nfs/dbraw/zinc/59/58/23/367595823.db2.gz NUSOCEIDKSBHQZ-YIYPIFLZSA-N 2 0 282.432 1.251 10 0 CDAERP CC1CC[NH+](CCNC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000417007168 242263406 /nfs/dbraw/zinc/26/34/06/242263406.db2.gz GTPFYURXMVNHML-ZIAGYGMSSA-N 2 0 282.432 1.016 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000417033785 242281677 /nfs/dbraw/zinc/28/16/77/242281677.db2.gz FRHXNWSOSAQLLO-ILXRZTDVSA-N 2 0 296.459 1.630 10 0 CDAERP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000358366733 367635659 /nfs/dbraw/zinc/63/56/59/367635659.db2.gz JIDIBOSADICWGL-MXASKKJJSA-N 2 0 273.424 1.972 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)C[NH2+]1 ZINC000627198824 367689006 /nfs/dbraw/zinc/68/90/06/367689006.db2.gz YDALIDNJCNCSFZ-RDBSUJKOSA-N 2 0 280.416 1.007 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627203009 367698237 /nfs/dbraw/zinc/69/82/37/367698237.db2.gz LHTZFRFRWRJFFS-STQMWFEESA-N 2 0 270.421 1.110 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)CCC1C[NH2+]C1)c1ccccc1 ZINC000638047390 367778173 /nfs/dbraw/zinc/77/81/73/367778173.db2.gz GQCDAQLPJQVECU-HNNXBMFYSA-N 2 0 275.396 1.405 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000627245839 367871483 /nfs/dbraw/zinc/87/14/83/367871483.db2.gz SSMSIOBWSSRLHJ-BYNSBNAKSA-N 2 0 294.443 1.158 10 0 CDAERP CC(C)C[C@@H]([NH3+])CNCCC[NH2+]Cc1cccnc1 ZINC000414861359 367826000 /nfs/dbraw/zinc/82/60/00/367826000.db2.gz SBCFQXKZQVUUOG-OAHLLOKOSA-N 2 0 264.417 1.524 10 0 CDAERP C[C@@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000360587811 368375682 /nfs/dbraw/zinc/37/56/82/368375682.db2.gz DCDMOQMSADJZRQ-QRJUGERDSA-N 2 0 267.461 1.893 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000418581898 243237587 /nfs/dbraw/zinc/23/75/87/243237587.db2.gz VJHOIXPQXKVJDL-KGLIPLIRSA-N 2 0 284.448 1.214 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)CCCC[NH3+])[C@H](C)C1 ZINC000418668659 243326541 /nfs/dbraw/zinc/32/65/41/243326541.db2.gz GVFFROPLNGAOFY-KFWWJZLASA-N 2 0 298.475 1.876 10 0 CDAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC1=[NH+]CCCN1 ZINC000630387617 368854319 /nfs/dbraw/zinc/85/43/19/368854319.db2.gz UVMRRMADDWDAHS-GOEBONIOSA-N 2 0 286.423 1.693 10 0 CDAERP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N(C)CCC[NH+](C)C ZINC000543669448 368946370 /nfs/dbraw/zinc/94/63/70/368946370.db2.gz SRLXDQPMTFKFSP-GXTWGEPZSA-N 2 0 282.432 1.062 10 0 CDAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)CC1CC[NH+](C)CC1 ZINC000362837389 369119620 /nfs/dbraw/zinc/11/96/20/369119620.db2.gz MGVUBQSDYBRJJR-HNNXBMFYSA-N 2 0 281.444 1.519 10 0 CDAERP [NH3+]CCCN(CCC[NH3+])C(=O)N1CCc2ccccc21 ZINC000420455942 244245902 /nfs/dbraw/zinc/24/59/02/244245902.db2.gz MREVOJAJONMWFX-UHFFFAOYSA-N 2 0 276.384 1.169 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000567350495 370963037 /nfs/dbraw/zinc/96/30/37/370963037.db2.gz KJYPBPWZICKNBB-KFWWJZLASA-N 2 0 279.428 1.461 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000079253703 369815662 /nfs/dbraw/zinc/81/56/62/369815662.db2.gz OEHMDFOULDISOX-ZIAGYGMSSA-N 2 0 296.459 1.500 10 0 CDAERP C[C@@H](CCC[NH3+])NC(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000564957437 370309346 /nfs/dbraw/zinc/30/93/46/370309346.db2.gz PEHWSCNMGTVGIP-GWCFXTLKSA-N 2 0 267.348 1.112 10 0 CDAERP C[NH2+][C@H](C)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000389937430 370471260 /nfs/dbraw/zinc/47/12/60/370471260.db2.gz NLOKGKBLFATMQJ-GUTXKFCHSA-N 2 0 275.396 1.231 10 0 CDAERP C[C@@H]1C[C@H](C)N(C(=O)COC2CCC([NH3+])CC2)C[C@H]1C[NH3+] ZINC000422536026 245097808 /nfs/dbraw/zinc/09/78/08/245097808.db2.gz DQWJVZUDHAEYBN-OEGGNGQFSA-N 2 0 297.443 1.105 10 0 CDAERP CCC[C@@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)C1CCCC1 ZINC000566120886 370616729 /nfs/dbraw/zinc/61/67/29/370616729.db2.gz RDFKEBSMWMXZJS-DLBZAZTESA-N 2 0 297.487 1.543 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CC(=O)N(c2ccccc2)C1 ZINC000422721458 245177599 /nfs/dbraw/zinc/17/75/99/245177599.db2.gz VMGMRYURMJDQAF-KGLIPLIRSA-N 2 0 291.395 1.135 10 0 CDAERP CN(C[C@@H](O)C[NH2+]C[C@@H]1CC12CCSCC2)C1CC1 ZINC000567694428 371105087 /nfs/dbraw/zinc/10/50/87/371105087.db2.gz SSRNWJSOKXOUEQ-JSGCOSHPSA-N 2 0 284.469 1.564 10 0 CDAERP C[C@H](C[C@@H]1COCC[NH2+]1)NCC[N@@H+]1CCCC[C@@H]1C ZINC000422857464 245342159 /nfs/dbraw/zinc/34/21/59/245342159.db2.gz HRJUZTNKXRPXNB-QLFBSQMISA-N 2 0 269.433 1.217 10 0 CDAERP COc1ccccc1N1CC[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])C1 ZINC000422871951 245359139 /nfs/dbraw/zinc/35/91/39/245359139.db2.gz FAYDOKIMIOYPQT-IHRRRGAJSA-N 2 0 277.412 1.989 10 0 CDAERP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)COC1CCC([NH3+])CC1 ZINC000572958139 371361658 /nfs/dbraw/zinc/36/16/58/371361658.db2.gz JWAVPLAJMRZMIA-VXGQWTEUSA-N 2 0 297.443 1.072 10 0 CDAERP CC(C)[NH2+]CCCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000572958719 371361683 /nfs/dbraw/zinc/36/16/83/371361683.db2.gz FWQPOLOEPZEBTK-WOSRLPQWSA-N 2 0 297.443 1.023 10 0 CDAERP CCC[C@H](C(=O)N1CC[C@@H]([NH+](CC)CC)C1)[NH+](C)C ZINC000123303822 371388152 /nfs/dbraw/zinc/38/81/52/371388152.db2.gz QBMLEQHYSJQPRZ-ZIAGYGMSSA-N 2 0 269.433 1.659 10 0 CDAERP C[C@@H]1CC[N@H+](CCNC(=O)[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000573850507 371682140 /nfs/dbraw/zinc/68/21/40/371682140.db2.gz QUUCUOKRCKTZMQ-CHWSQXEVSA-N 2 0 267.417 1.223 10 0 CDAERP Cc1ccc2c(c1C)OC[C@@H]2NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000575377210 371829450 /nfs/dbraw/zinc/82/94/50/371829450.db2.gz HZZWUNSZOLKSOQ-ZBFHGGJFSA-N 2 0 290.407 1.782 10 0 CDAERP CC(C)[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000335532742 371812195 /nfs/dbraw/zinc/81/21/95/371812195.db2.gz FEGXRQIREBBCCF-DZGCQCFKSA-N 2 0 281.444 1.706 10 0 CDAERP CC[NH+](CC)CC(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000378187611 371860040 /nfs/dbraw/zinc/86/00/40/371860040.db2.gz NDVLEUMKOCQOFS-UHFFFAOYSA-N 2 0 275.396 1.766 10 0 CDAERP Cn1ccnc1CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000172582633 371863632 /nfs/dbraw/zinc/86/36/32/371863632.db2.gz ZKZONZHGAFBGBI-UHFFFAOYSA-N 2 0 262.401 1.870 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H]1CCC[NH+](C)C1 ZINC000176344082 372006274 /nfs/dbraw/zinc/00/62/74/372006274.db2.gz OTTSAKCASAZMKV-LSDHHAIUSA-N 2 0 296.459 1.454 10 0 CDAERP COCCN(C)C[C@H](O)C[N@@H+]1C[C@H](C)C[C@H](C)[C@H]1C ZINC000394063363 372337551 /nfs/dbraw/zinc/33/75/51/372337551.db2.gz QXPHOSCWGGBGCM-BARDWOONSA-N 2 0 272.433 1.292 10 0 CDAERP C[NH+]1CCN(C[C@H](O)C[NH2+]CC2(C)CCCCCC2)CC1 ZINC000578522075 372492480 /nfs/dbraw/zinc/49/24/80/372492480.db2.gz ZWOLVMLDVGONKD-MRXNPFEDSA-N 2 0 297.487 1.545 10 0 CDAERP C[C@@H]1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)C[C@@H]1C[NH3+] ZINC000578649774 372533002 /nfs/dbraw/zinc/53/30/02/372533002.db2.gz IWENICLOKZDLAB-ILXRZTDVSA-N 2 0 281.444 1.694 10 0 CDAERP CN(C)c1ccncc1C[NH2+]C[C@H]1CN(C2CC2)CCO1 ZINC000185190533 373065527 /nfs/dbraw/zinc/06/55/27/373065527.db2.gz PUTRYMJMBRUIGE-HNNXBMFYSA-N 2 0 290.411 1.100 10 0 CDAERP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CC[NH+]2CCC1CC2 ZINC000341196315 373464535 /nfs/dbraw/zinc/46/45/35/373464535.db2.gz STXBZXXSMUOGMN-HUUCEWRRSA-N 2 0 292.427 1.103 10 0 CDAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000418584305 374415225 /nfs/dbraw/zinc/41/52/25/374415225.db2.gz XGUNKPIBRYJWPG-KBPBESRZSA-N 2 0 296.459 1.406 10 0 CDAERP COc1cncc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1C ZINC000631039760 374631471 /nfs/dbraw/zinc/63/14/71/374631471.db2.gz LSYQZYVLKBJJJY-CYBMUJFWSA-N 2 0 275.396 1.973 10 0 CDAERP O=C(C[C@H]1CC[NH2+]C1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000130827001 375342071 /nfs/dbraw/zinc/34/20/71/375342071.db2.gz KJIJZYSUGLUGRB-CABCVRRESA-N 2 0 279.428 1.463 10 0 CDAERP O=C(NCCNc1cc[nH+]cc1)Nc1ccc2c(c1)C[NH2+]C2 ZINC000416001783 375520177 /nfs/dbraw/zinc/52/01/77/375520177.db2.gz ZYPLVKVNINXMFO-UHFFFAOYSA-N 2 0 297.362 1.340 10 0 CDAERP Cc1cc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)ncn1 ZINC000428360226 247287323 /nfs/dbraw/zinc/28/73/23/247287323.db2.gz CEWVNZPKNQHBOK-HRCADAONSA-N 2 0 290.411 1.469 10 0 CDAERP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cn1 ZINC000228827429 375806268 /nfs/dbraw/zinc/80/62/68/375806268.db2.gz DPCFVNRSPPTUCG-BFHYXJOUSA-N 2 0 261.369 1.649 10 0 CDAERP C[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2Cc3ccccc3[C@H]2O)C1 ZINC000245856670 376254973 /nfs/dbraw/zinc/25/49/73/376254973.db2.gz NSHFARILAWURGR-VBNZEHGJSA-N 2 0 260.381 1.528 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)NC[C@@H]([NH3+])CC)CC1 ZINC000417393078 376340825 /nfs/dbraw/zinc/34/08/25/376340825.db2.gz PYBBVICORQUYAP-ZDUSSCGKSA-N 2 0 270.421 1.145 10 0 CDAERP Cc1cnn(CC[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420378646 376343125 /nfs/dbraw/zinc/34/31/25/376343125.db2.gz BGXUCMKPKXRUFE-HUUCEWRRSA-N 2 0 262.401 1.656 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000417387552 376303948 /nfs/dbraw/zinc/30/39/48/376303948.db2.gz HDDDCPZBRBORHI-ZFWWWQNUSA-N 2 0 296.459 1.406 10 0 CDAERP CCc1nc2n(n1)C[C@H]([NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C)CC2 ZINC000246320261 376625715 /nfs/dbraw/zinc/62/57/15/376625715.db2.gz FGRDBUCMWOOXIN-MGPQQGTHSA-N 2 0 291.443 1.475 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+]([C@H]3CCN(C4CCC4)C3=O)C[C@@H]21 ZINC000631823470 376650361 /nfs/dbraw/zinc/65/03/61/376650361.db2.gz FPIIZPGREHBJRY-BEAPCOKYSA-N 2 0 277.412 1.199 10 0 CDAERP C[NH+]1CCC(C(=O)NC2(C[NH3+])CCCCC2)CC1 ZINC000639000222 376968008 /nfs/dbraw/zinc/96/80/08/376968008.db2.gz WJBPLDZUQMHKBL-UHFFFAOYSA-N 2 0 253.390 1.106 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000247136541 377059636 /nfs/dbraw/zinc/05/96/36/377059636.db2.gz SPQDPYYBDGFQES-ZNMIVQPWSA-N 2 0 294.443 1.349 10 0 CDAERP C[C@@H]1C[C@@H](NCC[N@H+]2CCCC[C@@H]2C)CC[NH+]1C ZINC000247187341 377063590 /nfs/dbraw/zinc/06/35/90/377063590.db2.gz VPPVOKXBOKLZOF-ZNMIVQPWSA-N 2 0 253.434 1.933 10 0 CDAERP C[C@@H](NC(=O)c1ccc(C[NH3+])cc1)[C@H]1CCC[NH2+]C1 ZINC000571918924 377605586 /nfs/dbraw/zinc/60/55/86/377605586.db2.gz RLSXZKWDDQXIAV-RISCZKNCSA-N 2 0 261.369 1.263 10 0 CDAERP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000334937099 377708650 /nfs/dbraw/zinc/70/86/50/377708650.db2.gz UEMJEOBHXYEELT-CHWSQXEVSA-N 2 0 282.432 1.417 10 0 CDAERP CCC[NH2+]CCNC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000417527115 377862173 /nfs/dbraw/zinc/86/21/73/377862173.db2.gz DABGIMLLXFDFKG-KBPBESRZSA-N 2 0 284.448 1.548 10 0 CDAERP CC(C)[NH2+]C1(CO)CC[NH+](C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC000572300704 377863196 /nfs/dbraw/zinc/86/31/96/377863196.db2.gz JHOGVTWSRNKGGF-LSDHHAIUSA-N 2 0 284.444 1.626 10 0 CDAERP C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000417536627 377898612 /nfs/dbraw/zinc/89/86/12/377898612.db2.gz QSUFOMRLMVPOPY-LJISPDSOSA-N 2 0 296.459 1.628 10 0 CDAERP CCC/C=C\CC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001662303690 1172524927 /nfs/dbraw/zinc/52/49/27/1172524927.db2.gz PGGSMFBWPHGIKW-YOVCOIKASA-N 2 0 281.444 1.921 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)Nc2ccnn2CC[NH+](C)C)CC[N@@H+]1C ZINC000633213906 378215142 /nfs/dbraw/zinc/21/51/42/378215142.db2.gz YTCDIIJCQXBXNC-QWHCGFSZSA-N 2 0 293.415 1.114 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000633465236 378473784 /nfs/dbraw/zinc/47/37/84/378473784.db2.gz LRQUPWUFIWVEMN-HZSPNIEDSA-N 2 0 267.417 1.269 10 0 CDAERP C[NH+](C)CCC[C@H]1CN(CC[C@H]2CCC[N@@H+]2C)CCO1 ZINC000662326399 412895346 /nfs/dbraw/zinc/89/53/46/412895346.db2.gz YWMIKIKTTFLMLO-CVEARBPZSA-N 2 0 283.460 1.513 10 0 CDAERP C[NH+](C)CCC[C@H]1C[N@H+](CC2CC=CC2)CCO1 ZINC000662325332 412897454 /nfs/dbraw/zinc/89/74/54/412897454.db2.gz DYMAPXUGJSKULP-HNNXBMFYSA-N 2 0 252.402 1.995 10 0 CDAERP C[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)C[C@@](C)(C(F)F)O1 ZINC000662334927 412903324 /nfs/dbraw/zinc/90/33/24/412903324.db2.gz DMOSGSSBJRBXJN-MDZLAQPJSA-N 2 0 262.344 1.731 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](COC)OC)[C@H](C)C1 ZINC000660083148 412912321 /nfs/dbraw/zinc/91/23/21/412912321.db2.gz RRXWXPBOYHQBCP-RDBSUJKOSA-N 2 0 258.406 1.310 10 0 CDAERP CC(C)[C@H]1CN(C(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)CC[N@@H+]1C ZINC000634300796 379359623 /nfs/dbraw/zinc/35/96/23/379359623.db2.gz LZVZKQSPGVYHSX-SOUVJXGZSA-N 2 0 279.428 1.316 10 0 CDAERP CC(C)[C@H]1CN(C(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)CC[N@@H+]1C ZINC000634300793 379360643 /nfs/dbraw/zinc/36/06/43/379360643.db2.gz LZVZKQSPGVYHSX-QLFBSQMISA-N 2 0 279.428 1.316 10 0 CDAERP CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)C1 ZINC000655914067 412918657 /nfs/dbraw/zinc/91/86/57/412918657.db2.gz CFLUXBDJQZPXDB-NXEZZACHSA-N 2 0 296.337 1.048 10 0 CDAERP CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001662630584 1172571170 /nfs/dbraw/zinc/57/11/70/1172571170.db2.gz KJCQNBGTWFFUJM-CABCVRRESA-N 2 0 281.444 1.707 10 0 CDAERP Cn1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c1 ZINC000657594841 412922479 /nfs/dbraw/zinc/92/24/79/412922479.db2.gz DCMNIDLLPVCFHG-SFHVURJKSA-N 2 0 299.418 1.882 10 0 CDAERP O=C(NCC[C@H]1CCC[NH2+]C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000418361698 295654937 /nfs/dbraw/zinc/65/49/37/295654937.db2.gz GZHVWPKAIAGCHB-CABCVRRESA-N 2 0 292.427 1.032 10 0 CDAERP CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420304172 535470412 /nfs/dbraw/zinc/47/04/12/535470412.db2.gz LDWASQHZTYZSHW-HUUCEWRRSA-N 2 0 281.444 1.709 10 0 CDAERP C[NH2+]Cc1cccc(NC(=O)c2cc(C(C)(C)[NH3+])no2)c1 ZINC000662399509 412964046 /nfs/dbraw/zinc/96/40/46/412964046.db2.gz PNQHYJZXCIPWPP-UHFFFAOYSA-N 2 0 288.351 1.840 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)C2CCC2)[C@@H]2CCC[C@H]21 ZINC000453372609 252306609 /nfs/dbraw/zinc/30/66/09/252306609.db2.gz GPGDGKAEVVEROE-XQLPTFJDSA-N 2 0 252.402 1.610 10 0 CDAERP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC/C=C\C[NH3+] ZINC000669470438 483186036 /nfs/dbraw/zinc/18/60/36/483186036.db2.gz HGLVGBGZBZTWKB-GEXIGZQTSA-N 2 0 282.432 1.455 10 0 CDAERP CCC([NH3+])(CC)CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655964295 412974475 /nfs/dbraw/zinc/97/44/75/412974475.db2.gz YZIKBKVITDUBFZ-TXEJJXNPSA-N 2 0 270.421 1.143 10 0 CDAERP C([C@@H]1CCCCC[NH2+]1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000081038861 177758496 /nfs/dbraw/zinc/75/84/96/177758496.db2.gz ARONRPNIYAGYCU-GJZGRUSLSA-N 2 0 251.418 1.689 10 0 CDAERP C[N@H+](CCNC(=O)C[NH+]1CCCC1)CC1=CCCCC1 ZINC001663335139 1172673241 /nfs/dbraw/zinc/67/32/41/1172673241.db2.gz CSYNPAGVHVSDPY-UHFFFAOYSA-N 2 0 279.428 1.631 10 0 CDAERP CC(=O)N[C@H](CN1CCC([NH3+])CC1)c1ccccc1 ZINC000059732116 390503086 /nfs/dbraw/zinc/50/30/86/390503086.db2.gz XHGDFOYAARETHF-OAHLLOKOSA-N 2 0 261.369 1.287 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH2+]CCCc2ncn(C)n2)[C@@H](C)C1 ZINC000647325386 390939224 /nfs/dbraw/zinc/93/92/24/390939224.db2.gz DVBBDESJZNWEKT-QWHCGFSZSA-N 2 0 265.405 1.068 10 0 CDAERP CC(C)C1CC[NH+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC1 ZINC000525703071 390941677 /nfs/dbraw/zinc/94/16/77/390941677.db2.gz DQKOTNHAOLLBHD-CQSZACIVSA-N 2 0 295.427 1.044 10 0 CDAERP CC[NH+]1CCC([NH2+]CC(C)(C)[C@]2(O)CCOC2)CC1 ZINC000647338825 390943148 /nfs/dbraw/zinc/94/31/48/390943148.db2.gz AMOGMWRRCNEOPE-HNNXBMFYSA-N 2 0 270.417 1.238 10 0 CDAERP [NH3+]C1CCC(OCC(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC000648186494 390946936 /nfs/dbraw/zinc/94/69/36/390946936.db2.gz WMUMPRHCDVOCBU-MOKVOYLWSA-N 2 0 295.427 1.064 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000154391952 390913393 /nfs/dbraw/zinc/91/33/93/390913393.db2.gz DIGOYNKSNKFKHY-RBSFLKMASA-N 2 0 279.428 1.461 10 0 CDAERP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2ccns2)CC1 ZINC000404445843 390959386 /nfs/dbraw/zinc/95/93/86/390959386.db2.gz NMZSOHIOWWQKPY-UHFFFAOYSA-N 2 0 268.430 1.259 10 0 CDAERP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423394124 391016769 /nfs/dbraw/zinc/01/67/69/391016769.db2.gz PTGJHDYKFBFJMB-XQQFMLRXSA-N 2 0 293.377 1.847 10 0 CDAERP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000404909087 390966793 /nfs/dbraw/zinc/96/67/93/390966793.db2.gz AYVRQUQVGAIHMM-IHRRRGAJSA-N 2 0 267.417 1.317 10 0 CDAERP c1nc2ccccn2c1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000647544682 390986307 /nfs/dbraw/zinc/98/63/07/390986307.db2.gz YLFPVPUDWURLMO-OKILXGFUSA-N 2 0 270.380 1.766 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCNC(=O)C2CCC2)[C@@H]2CCC[C@@H]21 ZINC000367616079 390997001 /nfs/dbraw/zinc/99/70/01/390997001.db2.gz NHIDVYKRODWQOE-JYJNAYRXSA-N 2 0 293.455 1.755 10 0 CDAERP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CC1(F)CC1 ZINC000527221680 391005319 /nfs/dbraw/zinc/00/53/19/391005319.db2.gz FNIIEZRAWIQGDD-UPJWGTAASA-N 2 0 256.365 1.672 10 0 CDAERP CN(C)C(=O)CCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000368610432 391036693 /nfs/dbraw/zinc/03/66/93/391036693.db2.gz AHHAGRLSXIGALB-MCIONIFRSA-N 2 0 267.417 1.317 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000415130764 391044664 /nfs/dbraw/zinc/04/46/64/391044664.db2.gz XPQVKFOVUGSPKY-HRCADAONSA-N 2 0 279.403 1.926 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CC[N@@H+]1C ZINC000417759605 391048429 /nfs/dbraw/zinc/04/84/29/391048429.db2.gz WKMYZPUPKDDVKU-IIAWOOMASA-N 2 0 294.443 1.254 10 0 CDAERP O=C(CC1CCCC1)NC1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000647884557 391143844 /nfs/dbraw/zinc/14/38/44/391143844.db2.gz DYGKBYZMBAQZBV-HNNXBMFYSA-N 2 0 293.455 1.757 10 0 CDAERP CC(C)([NH3+])c1noc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)n1 ZINC000647899423 391190101 /nfs/dbraw/zinc/19/01/01/391190101.db2.gz JWEBRQQHRQQFTQ-NEPJUHHUSA-N 2 0 293.415 1.227 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCN1CCCC[C@@H]1C(=[NH2+])NO ZINC000376078242 391213156 /nfs/dbraw/zinc/21/31/56/391213156.db2.gz DDGVIKCFUZVBIC-VXGBXAGGSA-N 2 0 254.378 1.281 10 0 CDAERP CC1=CC[N@H+](CCNC(=O)N(C)[C@H]2CCC[NH2+]CC2)CC1 ZINC000418028856 391344333 /nfs/dbraw/zinc/34/43/33/391344333.db2.gz QOPOPCJAFRJSTM-HNNXBMFYSA-N 2 0 294.443 1.422 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@]1(CO)CC[C@@H](C)C1 ZINC000647971559 391353315 /nfs/dbraw/zinc/35/33/15/391353315.db2.gz NTRBDADESAUZNX-QLFBSQMISA-N 2 0 272.433 1.170 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000418035924 391355434 /nfs/dbraw/zinc/35/54/34/391355434.db2.gz YLNJWQSHZCADNW-ZIAGYGMSSA-N 2 0 296.459 1.406 10 0 CDAERP C(C1CC[NH2+]CC1)[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000178980017 391362597 /nfs/dbraw/zinc/36/25/97/391362597.db2.gz YHDOXSSGHSILJT-INIZCTEOSA-N 2 0 281.444 1.173 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000418062045 391375100 /nfs/dbraw/zinc/37/51/00/391375100.db2.gz FURLRNZLKBZFMK-KGLIPLIRSA-N 2 0 296.459 1.406 10 0 CDAERP CC[C@@H]1CN(Cc2nnc(C)n2CC)CC[C@H]1[NH3+] ZINC000647934374 391377597 /nfs/dbraw/zinc/37/75/97/391377597.db2.gz CFMLQEPXPQPZHS-VXGBXAGGSA-N 2 0 251.378 1.166 10 0 CDAERP CC(C)N1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CC1=O ZINC000353611622 391397203 /nfs/dbraw/zinc/39/72/03/391397203.db2.gz DHEFFBNCQONJDM-LXTVHRRPSA-N 2 0 279.428 1.458 10 0 CDAERP C[C@@H]1CCCCN1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647788137 391469019 /nfs/dbraw/zinc/46/90/19/391469019.db2.gz CTDPIPDQMJOHSY-QKPAOTATSA-N 3 0 265.445 1.839 10 0 CDAERP CS[C@@H]1CC[C@@H]1[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000425353589 391483384 /nfs/dbraw/zinc/48/33/84/391483384.db2.gz ITSKWZGHRDJALG-RRFJBIMHSA-N 2 0 285.501 1.742 10 0 CDAERP C[C@@H](NC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)[C@H](C)[NH3+] ZINC000417856092 391512390 /nfs/dbraw/zinc/51/23/90/391512390.db2.gz RUHSIKMKSZEYEX-DMDPSCGWSA-N 2 0 263.385 1.565 10 0 CDAERP CCn1nncc1C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000417869385 391524902 /nfs/dbraw/zinc/52/49/02/391524902.db2.gz LFYVWQRVWKWEEV-CQSZACIVSA-N 2 0 279.432 1.900 10 0 CDAERP COCCN1CCC[C@@H]1C[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000356907509 391493713 /nfs/dbraw/zinc/49/37/13/391493713.db2.gz XGJNSHLLLKMATL-RBSFLKMASA-N 2 0 270.417 1.502 10 0 CDAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCC[N@H+](C)C1CCCC1 ZINC000417505853 391612270 /nfs/dbraw/zinc/61/22/70/391612270.db2.gz LCGLJQXKYBFMQY-JSGCOSHPSA-N 2 0 282.432 1.158 10 0 CDAERP C[C@@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@@H](C)CC(F)F ZINC000647800847 391664038 /nfs/dbraw/zinc/66/40/38/391664038.db2.gz LHHXDKWWYPRHSY-ZRUFSTJUSA-N 2 0 250.333 1.620 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])CC(F)F ZINC000647800845 391664207 /nfs/dbraw/zinc/66/42/07/391664207.db2.gz LHHXDKWWYPRHSY-UKKRHICBSA-N 2 0 250.333 1.620 10 0 CDAERP C[N@H+]1C[C@@H]2C[NH+]([C@@H]3Cc4ccccc4[C@H]3O)C[C@@H]2C1 ZINC000193648371 391672874 /nfs/dbraw/zinc/67/28/74/391672874.db2.gz OCQFACHZLMJXSJ-OCVGTWLNSA-N 2 0 258.365 1.138 10 0 CDAERP C[C@@H](C[NH3+])N(C)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000417652882 391719491 /nfs/dbraw/zinc/71/94/91/391719491.db2.gz AFNMYRWDYGRXBH-NSHDSACASA-N 2 0 296.390 1.376 10 0 CDAERP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H](C)[C@H](C)[NH3+])C1 ZINC000417592115 391687032 /nfs/dbraw/zinc/68/70/32/391687032.db2.gz XTWFMYUJNBUAJY-MELADBBJSA-N 2 0 298.475 1.922 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088164360 391691888 /nfs/dbraw/zinc/69/18/88/391691888.db2.gz YTUQTCOHFQBDHP-ODWCKFRGSA-N 2 0 253.390 1.245 10 0 CDAERP COc1ccc(CN[C@H]2CCCC[NH2+]C2)cc1O ZINC000415064396 391741358 /nfs/dbraw/zinc/74/13/58/391741358.db2.gz CMGUYZPKCMZMCA-LBPRGKRZSA-N 2 0 250.342 1.633 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)[NH2+][C@H](C)CC(=O)NCCc1ccccc1 ZINC000415016304 391724402 /nfs/dbraw/zinc/72/44/02/391724402.db2.gz NUXSYLYZPPQUBP-MCIONIFRSA-N 2 0 277.412 1.449 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000417665762 391727270 /nfs/dbraw/zinc/72/72/70/391727270.db2.gz ZSNNALDFKULGJO-MNOVXSKESA-N 2 0 296.390 1.422 10 0 CDAERP C[C@@H](CNc1cncc(NC[C@H](C)[NH+](C)C)n1)[NH+](C)C ZINC000341775209 130010928 /nfs/dbraw/zinc/01/09/28/130010928.db2.gz IARXVDFDHBMISO-RYUDHWBXSA-N 2 0 280.420 1.201 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000418195798 391804298 /nfs/dbraw/zinc/80/42/98/391804298.db2.gz GNRRWGHMVUBLSA-RDBSUJKOSA-N 2 0 284.448 1.404 10 0 CDAERP CC(C)([NH3+])CCC(=O)NCC1([NH3+])CCCCCC1 ZINC000647651008 391790464 /nfs/dbraw/zinc/79/04/64/391790464.db2.gz LNZIKXUKWZPOSP-UHFFFAOYSA-N 2 0 255.406 1.672 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000649322803 392020209 /nfs/dbraw/zinc/02/02/09/392020209.db2.gz NBTZCDOGKTYVHA-KBPBESRZSA-N 2 0 279.428 1.365 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000649322806 392020810 /nfs/dbraw/zinc/02/08/10/392020810.db2.gz NBTZCDOGKTYVHA-ZIAGYGMSSA-N 2 0 279.428 1.365 10 0 CDAERP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CC[C@H]2C)CC[NH2+]CC1 ZINC000423103738 392348553 /nfs/dbraw/zinc/34/85/53/392348553.db2.gz GLOLFLDWCSRIGI-AGIUHOORSA-N 2 0 268.401 1.696 10 0 CDAERP C[C@@H]([NH2+]CCc1cccc(C(F)(F)F)n1)C1C[NH2+]C1 ZINC000423128206 392367865 /nfs/dbraw/zinc/36/78/65/392367865.db2.gz KSEUDDWXWDBBLD-SECBINFHSA-N 2 0 273.302 1.840 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000423141251 392379110 /nfs/dbraw/zinc/37/91/10/392379110.db2.gz OWKRVHIPCAAFNP-QWRGUYRKSA-N 2 0 250.390 1.514 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)N[C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423140030 392379527 /nfs/dbraw/zinc/37/95/27/392379527.db2.gz MAWNXQGSPSWOMU-BMFZPTHFSA-N 2 0 283.460 1.463 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@@H]1NCCC[NH2+]Cc1cccnc1 ZINC000423184566 392425528 /nfs/dbraw/zinc/42/55/28/392425528.db2.gz IHSPFGCIMDQELP-GJZGRUSLSA-N 2 0 262.401 1.278 10 0 CDAERP COc1cc([C@H](C)[NH2+]CCN2CC[NH2+]CC2)ccc1F ZINC000423205153 392443391 /nfs/dbraw/zinc/44/33/91/392443391.db2.gz PACKTSABFWGGEU-LBPRGKRZSA-N 2 0 281.375 1.390 10 0 CDAERP C[NH2+]CCN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000423224607 392454661 /nfs/dbraw/zinc/45/46/61/392454661.db2.gz JMXDZXKLSREUGO-GOEBONIOSA-N 2 0 261.413 1.706 10 0 CDAERP C[NH+](C)Cc1ccc(C(=O)NCCC[NH+]2CCCC2)cn1 ZINC000448598350 392547162 /nfs/dbraw/zinc/54/71/62/392547162.db2.gz SMXAHQSGOAPGFD-UHFFFAOYSA-N 2 0 290.411 1.359 10 0 CDAERP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@H](C)C[NH3+])CC2 ZINC000516960559 392800512 /nfs/dbraw/zinc/80/05/12/392800512.db2.gz ZOKBWORXIVYGLS-MCIONIFRSA-N 2 0 282.432 1.238 10 0 CDAERP C[NH+](C)CC1CCC([NH2+]Cc2cn3cccnc3n2)CC1 ZINC000459456797 393172523 /nfs/dbraw/zinc/17/25/23/393172523.db2.gz XNRRRDNWNDZOIS-UHFFFAOYSA-N 2 0 287.411 1.939 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)[C@H]1C ZINC000494920984 393131277 /nfs/dbraw/zinc/13/12/77/393131277.db2.gz GIASNPDIYAOPSB-YCPHGPKFSA-N 2 0 288.439 1.968 10 0 CDAERP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC(=O)NC2(C)C)C1 ZINC000494924060 393131706 /nfs/dbraw/zinc/13/17/06/393131706.db2.gz OWNOXXFQHNTVQC-CHWSQXEVSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@H](Cn1cccn1)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000459663006 393290142 /nfs/dbraw/zinc/29/01/42/393290142.db2.gz WEJKAHPNIUGXAV-GFCCVEGCSA-N 2 0 255.325 1.709 10 0 CDAERP Cc1ccc(O)c(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000459740399 393333387 /nfs/dbraw/zinc/33/33/87/393333387.db2.gz UETGNKDKKAUHHI-ZDUSSCGKSA-N 2 0 263.385 1.917 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)CC1([NH3+])CCC1 ZINC000645951200 393426921 /nfs/dbraw/zinc/42/69/21/393426921.db2.gz JTKPYEQNOMCXHP-BETUJISGSA-N 2 0 267.417 1.637 10 0 CDAERP C[NH+](C)Cc1cc(CNC(=O)CCCC[NH3+])ccc1F ZINC000646001736 393465189 /nfs/dbraw/zinc/46/51/89/393465189.db2.gz HYFHEAUNDVCNIU-UHFFFAOYSA-N 2 0 281.375 1.633 10 0 CDAERP COC[C@H](CC1CCOCC1)[NH2+]CC1CC[NH+](C)CC1 ZINC000657873885 413065792 /nfs/dbraw/zinc/06/57/92/413065792.db2.gz VVOPZEIGPFNCRZ-INIZCTEOSA-N 2 0 284.444 1.750 10 0 CDAERP CN(CC1CC[NH+](C)CC1)C(=O)C1CCC([NH3+])CC1 ZINC000063123974 413074181 /nfs/dbraw/zinc/07/41/81/413074181.db2.gz FHGRGZJJVVKDKQ-UHFFFAOYSA-N 2 0 267.417 1.304 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCOc1cccc(C)c1 ZINC000234785058 140232212 /nfs/dbraw/zinc/23/22/12/140232212.db2.gz QEADUEWOSUSWEZ-AWEZNQCLSA-N 2 0 266.385 1.717 10 0 CDAERP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(C[NH3+])cc2)C1 ZINC000237476189 140254487 /nfs/dbraw/zinc/25/44/87/140254487.db2.gz DLEPQAQYIXVFMY-SMDDNHRTSA-N 2 0 261.369 1.345 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000250660036 140305553 /nfs/dbraw/zinc/30/55/53/140305553.db2.gz YXEKDQDDKACQLG-ARFHVFGLSA-N 2 0 287.407 1.505 10 0 CDAERP C[C@@H]1C[C@H](CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)CC[NH2+]1 ZINC000261586888 140356665 /nfs/dbraw/zinc/35/66/65/140356665.db2.gz URGIZEUYCJUYQY-LXTVHRRPSA-N 2 0 251.418 1.543 10 0 CDAERP CC1(C)CN(Cc2cccc3c2OCO3)CC[C@@H]1[NH3+] ZINC000261602602 140362411 /nfs/dbraw/zinc/36/24/11/140362411.db2.gz ANGKLWGHJRMEIR-ZDUSSCGKSA-N 2 0 262.353 1.975 10 0 CDAERP C[C@]1(CN2CCOC[C@@H]2Cc2ccccc2)CC[NH2+]C1 ZINC000261687641 140375555 /nfs/dbraw/zinc/37/55/55/140375555.db2.gz ARVNWLXLZNNZGY-IRXDYDNUSA-N 2 0 274.408 1.930 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC[NH2+]1 ZINC000262341479 140425987 /nfs/dbraw/zinc/42/59/87/140425987.db2.gz GYSJKDMXSYLTQZ-ZNMIVQPWSA-N 2 0 279.428 1.319 10 0 CDAERP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656199975 413096821 /nfs/dbraw/zinc/09/68/21/413096821.db2.gz HRTZHZQBQKGOKH-MXASKKJJSA-N 3 0 275.440 1.875 10 0 CDAERP CCN(C(=O)N[C@@H]1CC[NH+](C)[C@@H](C)C1)[C@H]1CC[N@H+](CC)C1 ZINC000664218190 413153968 /nfs/dbraw/zinc/15/39/68/413153968.db2.gz NQJCEAQSFXTRPZ-ZNMIVQPWSA-N 2 0 296.459 1.595 10 0 CDAERP C[C@H]([NH2+][C@H]1CCNC1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000658056725 413163816 /nfs/dbraw/zinc/16/38/16/413163816.db2.gz YSEFQQYGRWHHDO-WFASDCNBSA-N 2 0 291.395 1.166 10 0 CDAERP CN(CCC[N@H+](C)C[C@@H](O)C1CCCCC1)CC[NH+](C)C ZINC000344026385 289132019 /nfs/dbraw/zinc/13/20/19/289132019.db2.gz JLLORIMCTASRPC-QGZVFWFLSA-N 2 0 299.503 1.743 10 0 CDAERP CCc1nc(C)cc(N2CCC3(CC[NH2+]C3)CC2)n1 ZINC000420257219 397691123 /nfs/dbraw/zinc/69/11/23/397691123.db2.gz IEWYSFOYXCTMSY-UHFFFAOYSA-N 2 0 260.385 1.927 10 0 CDAERP CCOC(=O)CCCC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420375973 397700696 /nfs/dbraw/zinc/70/06/96/397700696.db2.gz OVNUBJNVDVLNBM-HNNXBMFYSA-N 2 0 268.401 1.795 10 0 CDAERP CCC[NH+]1CCC(NC(=O)C2CCC([NH3+])CC2)CC1 ZINC000040829742 397899412 /nfs/dbraw/zinc/89/94/12/397899412.db2.gz WOVVFMGPAMMNHS-UHFFFAOYSA-N 2 0 267.417 1.495 10 0 CDAERP [NH3+]Cc1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000094441457 147088746 /nfs/dbraw/zinc/08/87/46/147088746.db2.gz CKMOZFQYTRWJEP-HNNXBMFYSA-N 2 0 288.395 1.847 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000658106413 413207040 /nfs/dbraw/zinc/20/70/40/413207040.db2.gz HNUDOCGMSOEHMW-JYJNAYRXSA-N 2 0 285.476 1.663 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000662622131 413208860 /nfs/dbraw/zinc/20/88/60/413208860.db2.gz PHFIKGOXMBQOBW-DOMZBBRYSA-N 2 0 267.417 1.508 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)CC[C@@H](C)[NH3+])[C@@H](C)C1 ZINC000248844545 286060177 /nfs/dbraw/zinc/06/01/77/286060177.db2.gz HGXVKIVHETVUJU-ZNMIVQPWSA-N 2 0 299.459 1.367 10 0 CDAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCCOC3)cc2)C1 ZINC000658139898 413227859 /nfs/dbraw/zinc/22/78/59/413227859.db2.gz NWAIHXFDDOCEEB-SJORKVTESA-N 2 0 290.407 1.522 10 0 CDAERP C[C@@]1(CN2CCN(Cc3ccncc3)CC2)CC[NH2+]C1 ZINC000262082493 149012287 /nfs/dbraw/zinc/01/22/87/149012287.db2.gz TWSJTTIPZYUCLO-MRXNPFEDSA-N 2 0 274.412 1.199 10 0 CDAERP CC(C)C(=O)N1CC[NH+](C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000334883300 150030238 /nfs/dbraw/zinc/03/02/38/150030238.db2.gz VSRQEEKWTPWRQS-ZIAGYGMSSA-N 2 0 267.417 1.175 10 0 CDAERP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCC(c3ncc[nH]3)CC2)C1 ZINC000335062618 150246635 /nfs/dbraw/zinc/24/66/35/150246635.db2.gz KZFAEHBGPRLPPJ-DGCLKSJQSA-N 2 0 276.384 1.504 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000335989624 151177770 /nfs/dbraw/zinc/17/77/70/151177770.db2.gz JNNGETPJRYWFHB-GDBMZVCRSA-N 2 0 279.428 1.463 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCOC2)[C@@H](C)C1 ZINC000343956707 152369613 /nfs/dbraw/zinc/36/96/13/152369613.db2.gz ATMHQAPTEMDDAN-XHSDSOJGSA-N 2 0 284.444 1.892 10 0 CDAERP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000133729878 413272743 /nfs/dbraw/zinc/27/27/43/413272743.db2.gz CIGTUKJPQLHAIV-JQWIXIFHSA-N 2 0 274.368 1.649 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](CC)CC ZINC000349084601 154047666 /nfs/dbraw/zinc/04/76/66/154047666.db2.gz YDGCJOUSQUDMLL-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C[N@@H+]1C1CC1 ZINC000654480882 413342150 /nfs/dbraw/zinc/34/21/50/413342150.db2.gz ASNHJKBTCHELNO-CXTNEJHOSA-N 2 0 294.443 1.251 10 0 CDAERP Cc1ccc([C@H](CNC(=O)CC2([NH3+])CC2)[NH+]2CCCC2)o1 ZINC000662712207 413363866 /nfs/dbraw/zinc/36/38/66/413363866.db2.gz QJHCJZAHMBPURF-ZDUSSCGKSA-N 2 0 291.395 1.723 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000362520657 159167869 /nfs/dbraw/zinc/16/78/69/159167869.db2.gz GVVGFSINUPVKSL-GJZGRUSLSA-N 2 0 281.444 1.804 10 0 CDAERP C[NH+](C)Cc1cc(CNC(=O)CC2([NH3+])CC2)ccc1F ZINC000662731324 413395106 /nfs/dbraw/zinc/39/51/06/413395106.db2.gz CBIBATNMHLJZKA-UHFFFAOYSA-N 2 0 279.359 1.385 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)CCC1CC[NH2+]CC1 ZINC000662730928 413397931 /nfs/dbraw/zinc/39/79/31/413397931.db2.gz VJNHGCCSGVQFCI-CYBMUJFWSA-N 2 0 255.406 1.256 10 0 CDAERP C[C@@H](C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)[NH+]1CCCCCC1 ZINC000262847555 286779217 /nfs/dbraw/zinc/77/92/17/286779217.db2.gz RYTTVLJDYTZMJK-HZSPNIEDSA-N 2 0 267.417 1.365 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)CC2([NH3+])CC2)[C@H](C)C1 ZINC000662735776 413408261 /nfs/dbraw/zinc/40/82/61/413408261.db2.gz PUPZYRNRCNUSIA-KGLIPLIRSA-N 2 0 297.443 1.121 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000662745862 413422029 /nfs/dbraw/zinc/42/20/29/413422029.db2.gz PBEPKVUHFYAGRQ-KBPBESRZSA-N 2 0 285.432 1.072 10 0 CDAERP Cc1cccnc1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000404944287 413432935 /nfs/dbraw/zinc/43/29/35/413432935.db2.gz OKTCZTPHUFJJLA-QLFBSQMISA-N 2 0 259.397 1.910 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)c2cc(C(C)(C)[NH3+])no2)C[N@@H+]1C1CC1 ZINC000662754270 413432369 /nfs/dbraw/zinc/43/23/69/413432369.db2.gz IXGFDCZSEKYVDM-NXEZZACHSA-N 2 0 292.383 1.223 10 0 CDAERP C[C@@H]([NH3+])CC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000037826185 286908385 /nfs/dbraw/zinc/90/83/85/286908385.db2.gz UQIXARQSYSQHCW-GFCCVEGCSA-N 2 0 253.390 1.058 10 0 CDAERP C[C@H](NC(=O)N[C@@H]1C[NH2+]CC[C@H]1C)C(C)(C)C[NH+](C)C ZINC000417860277 533678210 /nfs/dbraw/zinc/67/82/10/533678210.db2.gz URTJMPPXRPXEGG-FRRDWIJNSA-N 2 0 284.448 1.260 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCC[C@H]2CCC[N@H+](C)C2)C1 ZINC000654590608 413469361 /nfs/dbraw/zinc/46/93/61/413469361.db2.gz GETBCKZDSOMWKK-KFWWJZLASA-N 2 0 296.459 1.358 10 0 CDAERP COc1ccc([C@H](C[NH3+])N2CC[NH+](CC3CC3)CC2)cc1 ZINC000020179604 171044397 /nfs/dbraw/zinc/04/43/97/171044397.db2.gz ALNGCMMHSYYDJJ-KRWDZBQOSA-N 2 0 289.423 1.723 10 0 CDAERP COc1ccc([C@H](C[NH3+])N2CC[NH+](CC(C)C)CC2)cc1 ZINC000020179600 171044540 /nfs/dbraw/zinc/04/45/40/171044540.db2.gz PFXVGOJUANPZRC-KRWDZBQOSA-N 2 0 291.439 1.969 10 0 CDAERP C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2C[NH3+])C1 ZINC000022154252 171361154 /nfs/dbraw/zinc/36/11/54/171361154.db2.gz KBDORZIEBSIWRX-GFCCVEGCSA-N 2 0 261.369 1.816 10 0 CDAERP COc1cccc([C@@H](C[NH3+])N(C)C2CC[NH+](C)CC2)c1 ZINC000022177983 171371711 /nfs/dbraw/zinc/37/17/11/171371711.db2.gz GAOMPTJXOWBWQW-MRXNPFEDSA-N 2 0 277.412 1.721 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)C[C@H]1CC[NH2+]C1 ZINC000653214480 412139760 /nfs/dbraw/zinc/13/97/60/412139760.db2.gz XFDTYSNZEAGGNK-GFCCVEGCSA-N 2 0 261.369 1.022 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000653176275 412117496 /nfs/dbraw/zinc/11/74/96/412117496.db2.gz OPERBXCEUSYVQS-ZDUSSCGKSA-N 2 0 287.473 1.176 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)CC1(C[NH3+])CC1 ZINC000653215659 412144073 /nfs/dbraw/zinc/14/40/73/412144073.db2.gz WDQVFDPQZJOXQD-UHFFFAOYSA-N 2 0 261.369 1.151 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)[C@H]1C ZINC000311043144 413484215 /nfs/dbraw/zinc/48/42/15/413484215.db2.gz FHXHNBLWOOCQLU-HZSPNIEDSA-N 2 0 253.434 1.647 10 0 CDAERP O=C(N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)C1([NH2+]C2CC2)CCC1 ZINC000662786403 413495335 /nfs/dbraw/zinc/49/53/35/413495335.db2.gz WDPDKHFUMDBNPH-UONOGXRCSA-N 2 0 291.439 1.509 10 0 CDAERP [NH3+][C@H]1C[C@H](C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)C1 ZINC000662815103 413535565 /nfs/dbraw/zinc/53/55/65/413535565.db2.gz CADHRLUPPBBLET-NGFQHRJXSA-N 2 0 291.370 1.206 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000654658475 413547045 /nfs/dbraw/zinc/54/70/45/413547045.db2.gz LJNRLHQQNLGSRC-KFWWJZLASA-N 2 0 294.443 1.206 10 0 CDAERP C[N@@H+]1CCC[C@@H]2C[NH+](CC3(O)CCSCC3)CC[C@H]21 ZINC000656697310 413580028 /nfs/dbraw/zinc/58/00/28/413580028.db2.gz ARCBCXFRWAZVBZ-ZIAGYGMSSA-N 2 0 284.469 1.661 10 0 CDAERP Cc1cc(C)cc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC000656707685 413581787 /nfs/dbraw/zinc/58/17/87/413581787.db2.gz VSKVLSWORQHLQF-QGZVFWFLSA-N 2 0 291.439 1.001 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000662852499 413607087 /nfs/dbraw/zinc/60/70/87/413607087.db2.gz KWWZLSAASWSJON-XQLPTFJDSA-N 2 0 293.455 1.896 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)c1ccc(C[NH3+])o1 ZINC000664719713 413614385 /nfs/dbraw/zinc/61/43/85/413614385.db2.gz WIIYDUDHGMSFTE-UHFFFAOYSA-N 2 0 267.373 1.589 10 0 CDAERP C[C@@H](CCNC(=O)[C@@H]1[NH2+]CCCC1(C)C)[NH+](C)C ZINC000662858840 413618777 /nfs/dbraw/zinc/61/87/77/413618777.db2.gz INQLAZLFYBRFCD-RYUDHWBXSA-N 2 0 255.406 1.221 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000662924657 413707905 /nfs/dbraw/zinc/70/79/05/413707905.db2.gz FUJADXXEFLDUAW-CABCVRRESA-N 2 0 275.396 1.191 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659364958 413750402 /nfs/dbraw/zinc/75/04/02/413750402.db2.gz CCXYWORYURKWCE-NILFDRSVSA-N 2 0 289.379 1.284 10 0 CDAERP CN(CC1C[NH+](C)C1)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000661094359 413788565 /nfs/dbraw/zinc/78/85/65/413788565.db2.gz DPRGGRIGPKHGJN-AWEZNQCLSA-N 2 0 296.459 1.310 10 0 CDAERP C[NH2+]C[C@@H](C)NC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000659441346 413824827 /nfs/dbraw/zinc/82/48/27/413824827.db2.gz QYPJVFABAVFREK-UKRRQHHQSA-N 2 0 292.427 1.066 10 0 CDAERP O=C(NCCCCC[NH+]1CCCC1)NCC12CC(C1)C[NH2+]2 ZINC000659495511 413888425 /nfs/dbraw/zinc/88/84/25/413888425.db2.gz BHAKCYXIHINPKS-UHFFFAOYSA-N 2 0 294.443 1.304 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407255506 413911119 /nfs/dbraw/zinc/91/11/19/413911119.db2.gz IPTQABQLZHFMCK-IACUBPJLSA-N 2 0 267.417 1.364 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000659605471 414010949 /nfs/dbraw/zinc/01/09/49/414010949.db2.gz NNECYQBATIKKGD-HUUCEWRRSA-N 2 0 298.475 1.779 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000665233482 413956289 /nfs/dbraw/zinc/95/62/89/413956289.db2.gz IWOSVJSUGFEQGW-KBPBESRZSA-N 3 0 283.460 1.593 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000665233484 413959583 /nfs/dbraw/zinc/95/95/83/413959583.db2.gz IWOSVJSUGFEQGW-UONOGXRCSA-N 3 0 283.460 1.593 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1cccnc1N1CCCC1 ZINC000665236557 413969021 /nfs/dbraw/zinc/96/90/21/413969021.db2.gz PHRXTYGRZFRKKV-HNNXBMFYSA-N 2 0 292.427 1.525 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCc2cc(N)ccc21 ZINC000665273464 414004603 /nfs/dbraw/zinc/00/46/03/414004603.db2.gz XPLKSGVWQCZJRO-LTTZEQNMSA-N 2 0 275.396 1.598 10 0 CDAERP CC[NH+]1CCC([C@H](C)[NH2+]C2CCN(C)CC2)CC1 ZINC000037266962 173076004 /nfs/dbraw/zinc/07/60/04/173076004.db2.gz YRBAOEUUBABUBZ-ZDUSSCGKSA-N 2 0 253.434 1.791 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH+]2CCCCC2)C1 ZINC000655167500 414143360 /nfs/dbraw/zinc/14/33/60/414143360.db2.gz YEARRNTXIFEUDL-AWEZNQCLSA-N 2 0 267.417 1.273 10 0 CDAERP Cc1nn(C)c2ncc(C[NH2+]C[C@H]3C[C@@H]([NH+](C)C)C3)cc12 ZINC000655826058 414231640 /nfs/dbraw/zinc/23/16/40/414231640.db2.gz FGTPJOVJPAVBOL-XBXGTLAGSA-N 2 0 287.411 1.707 10 0 CDAERP CC[C@@H](O)CCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657374081 414236506 /nfs/dbraw/zinc/23/65/06/414236506.db2.gz DPBAIPKKDRFSPY-OAHLLOKOSA-N 2 0 274.368 1.908 10 0 CDAERP Cn1nnc2c1CC[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@H]3CCC[C@@H]31)C2 ZINC000655826931 414238066 /nfs/dbraw/zinc/23/80/66/414238066.db2.gz LQHPRQNJVNMJCX-CXTNEJHOSA-N 2 0 289.427 1.135 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)[C@@H](C)C1 ZINC000655806281 414198955 /nfs/dbraw/zinc/19/89/55/414198955.db2.gz UGQMSCSIOFTEDR-XQLPTFJDSA-N 3 0 253.434 1.647 10 0 CDAERP CC[C@H]1C[C@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)CO1 ZINC000657348019 414209586 /nfs/dbraw/zinc/20/95/86/414209586.db2.gz ITDYJFXNSPCMJY-HOTGVXAUSA-N 2 0 283.460 1.417 10 0 CDAERP C[C@H]1C[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CN1C1CC1 ZINC000657389625 414272574 /nfs/dbraw/zinc/27/25/74/414272574.db2.gz NELNHOYOHZFQGM-KBPBESRZSA-N 2 0 297.406 1.982 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]2CN(Cc3nc4c(s3)C[NH2+]CC4)C[C@@H]21 ZINC000663494371 414287872 /nfs/dbraw/zinc/28/78/72/414287872.db2.gz ILSYMZYZAMMGBO-GRYCIOLGSA-N 2 0 292.452 1.348 10 0 CDAERP C[N@H+](CCO[C@@H]1CC1(F)F)C[C@@H]1CCC[NH+](C)C1 ZINC000659947891 414290187 /nfs/dbraw/zinc/29/01/87/414290187.db2.gz NTYBYIGQODEIHJ-VXGBXAGGSA-N 2 0 262.344 1.684 10 0 CDAERP C[C@H]1CCCN(Cc2nc3c(s2)C[NH2+]CC3)[C@@H]1CC[NH3+] ZINC000663495799 414292539 /nfs/dbraw/zinc/29/25/39/414292539.db2.gz BBOXEFGEQLDKDX-WCQYABFASA-N 2 0 294.468 1.738 10 0 CDAERP O[C@@]1(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CCCOC1 ZINC000659957498 414301046 /nfs/dbraw/zinc/30/10/46/414301046.db2.gz UDOFNTFIYQUQSL-JKSUJKDBSA-N 2 0 282.428 1.336 10 0 CDAERP O[C@H]1CC[C@H](C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657445826 414342697 /nfs/dbraw/zinc/34/26/97/414342697.db2.gz LEPUKXZXADJGMD-WFASDCNBSA-N 2 0 272.352 1.518 10 0 CDAERP CO[C@H](C[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCOC1 ZINC000660003109 414343066 /nfs/dbraw/zinc/34/30/66/414343066.db2.gz DWQDOKCAJYDMQY-GOEBONIOSA-N 2 0 291.395 1.255 10 0 CDAERP COC[C@H](C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)OC ZINC000660013427 414360105 /nfs/dbraw/zinc/36/01/05/414360105.db2.gz XKVYGZWCLASXCZ-HZSPNIEDSA-N 2 0 256.390 1.064 10 0 CDAERP C[C@H](CNCc1ccnn1-c1cc[nH+]cc1)C[NH+](C)C ZINC000657472002 414367090 /nfs/dbraw/zinc/36/70/90/414367090.db2.gz LGQGMOCHLIVHEU-CYBMUJFWSA-N 2 0 273.384 1.555 10 0 CDAERP C[N@H+](CCCC[NH2+]Cc1cc2n(n1)CCC2)C1CC1 ZINC000657487349 414384538 /nfs/dbraw/zinc/38/45/38/414384538.db2.gz JMRRKMRXIWEHKZ-UHFFFAOYSA-N 2 0 262.401 1.793 10 0 CDAERP CCN(C(=O)NC[C@@H](C)C[NH+]1CCCC1)[C@H]1CC[N@H+](C)C1 ZINC000663734855 414432981 /nfs/dbraw/zinc/43/29/81/414432981.db2.gz CNOSKHBMUJZJKI-CABCVRRESA-N 2 0 296.459 1.454 10 0 CDAERP OC[C@H](CCF)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657502662 414400535 /nfs/dbraw/zinc/40/05/35/414400535.db2.gz OAXQBCNXGVOLFU-NSHDSACASA-N 2 0 264.304 1.077 10 0 CDAERP O[C@H]1CC[N@@H+](C2CC[NH+](CC3CC=CC3)CC2)C1 ZINC000662147377 414536072 /nfs/dbraw/zinc/53/60/72/414536072.db2.gz FJSICTCWILCVKB-HNNXBMFYSA-N 2 0 250.386 1.484 10 0 CDAERP C[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662251566 414585757 /nfs/dbraw/zinc/58/57/57/414585757.db2.gz FRFAWDTYRJYLAH-GDBMZVCRSA-N 2 0 290.407 1.390 10 0 CDAERP COc1cccc([C@H](C)[NH2+]C[C@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662283947 414613908 /nfs/dbraw/zinc/61/39/08/414613908.db2.gz DQTDWLBYGVRGOX-SWLSCSKDSA-N 2 0 276.380 1.867 10 0 CDAERP C[NH+](C)CCC[C@@H]1C[N@H+](CC[C@H]2CCCO2)CCO1 ZINC000662322941 414639568 /nfs/dbraw/zinc/63/95/68/414639568.db2.gz JRKJSBUDUGLVRB-HUUCEWRRSA-N 2 0 270.417 1.598 10 0 CDAERP CC[NH+]1CCN([C@@H](C[NH3+])[C@@H](C)c2ccccc2)CC1 ZINC000040216749 174205411 /nfs/dbraw/zinc/20/54/11/174205411.db2.gz FQIULQQRGUISCS-HOCLYGCPSA-N 2 0 261.413 1.755 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000040673683 174372080 /nfs/dbraw/zinc/37/20/80/174372080.db2.gz JSMOELBZDZXAEU-XUXIUFHCSA-N 2 0 265.401 1.118 10 0 CDAERP [NH3+]C[C@@H]([C@H]1CCOC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000040693757 174377729 /nfs/dbraw/zinc/37/77/29/174377729.db2.gz QWGPZCJLJKQOJZ-HOCLYGCPSA-N 2 0 281.444 1.301 10 0 CDAERP O=C(NCC[NH+]1CCCCCC1)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000040768216 174398646 /nfs/dbraw/zinc/39/86/46/174398646.db2.gz JRMCRPHIFIYTJA-HRCADAONSA-N 2 0 293.455 1.899 10 0 CDAERP CC(C)C[N@H+](CCC[NH3+])[C@H](C)C(=O)NC(C)(C)C ZINC000043417284 175038184 /nfs/dbraw/zinc/03/81/84/175038184.db2.gz ZAPRQBXPSLTVIH-GFCCVEGCSA-N 2 0 257.422 1.596 10 0 CDAERP CCC[NH+]1CCC(C[NH3+])(N2CCO[C@H]3CCC[C@@H]32)CC1 ZINC000043424647 175039803 /nfs/dbraw/zinc/03/98/03/175039803.db2.gz QRVXYDHDLHXYID-GJZGRUSLSA-N 2 0 281.444 1.443 10 0 CDAERP CC[NH2+][C@H](CN1CC[NH+](CC)CC1)c1ccccc1 ZINC000043805961 175108031 /nfs/dbraw/zinc/10/80/31/175108031.db2.gz OWTAXCAOPXGAAC-MRXNPFEDSA-N 2 0 261.413 1.975 10 0 CDAERP CC[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccc(C)cc1 ZINC000043810686 175109589 /nfs/dbraw/zinc/10/95/89/175109589.db2.gz OKHXRJUJWMJBGN-MRXNPFEDSA-N 2 0 261.413 1.893 10 0 CDAERP C[NH2+][C@H]1CCCCC[C@@H]1N1CCC([NH+](C)C)CC1 ZINC000043897254 175119830 /nfs/dbraw/zinc/11/98/30/175119830.db2.gz PPBOKHWCXCPDRV-GJZGRUSLSA-N 2 0 253.434 1.933 10 0 CDAERP CCC[NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000044295051 175160978 /nfs/dbraw/zinc/16/09/78/175160978.db2.gz HNIUNKAFLWKQFJ-CQSZACIVSA-N 2 0 263.385 1.405 10 0 CDAERP CCC[NH+]1CCN([C@H](c2cccnc2)[C@H](C)[NH3+])CC1 ZINC000044419037 175173155 /nfs/dbraw/zinc/17/31/55/175173155.db2.gz ZQZIEPLRCVXRMH-ZFWWWQNUSA-N 2 0 262.401 1.498 10 0 CDAERP CC[NH+]1CCC(C[NH2+][C@@H](C)C(=O)NC(C)(C)C)CC1 ZINC000044518769 175191620 /nfs/dbraw/zinc/19/16/20/175191620.db2.gz LNSXBNCOOOKZJT-LBPRGKRZSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@@H]1C[NH2+][C@@H](C)CC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000044526823 175192059 /nfs/dbraw/zinc/19/20/59/175192059.db2.gz IJULYISAWILBKN-KGLIPLIRSA-N 3 0 253.434 1.648 10 0 CDAERP c1ccc2c(c1)CC[NH2+][C@@H]2CN[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044679482 175228718 /nfs/dbraw/zinc/22/87/18/175228718.db2.gz AWIMYVNAYFHLSB-WMLDXEAASA-N 2 0 271.408 1.700 10 0 CDAERP C[C@@H](CC[NH+](C)C)NC(=O)C1(C[NH3+])CCCCC1 ZINC000044763841 175247709 /nfs/dbraw/zinc/24/77/09/175247709.db2.gz VADMLMJGQZTOAQ-LBPRGKRZSA-N 2 0 255.406 1.352 10 0 CDAERP [NH3+]C[C@H](Cc1ccccc1)C(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC000044794340 175254312 /nfs/dbraw/zinc/25/43/12/175254312.db2.gz ZHLNUVMTMOSGNK-JKSUJKDBSA-N 2 0 287.407 1.014 10 0 CDAERP CC[C@@H](C[NH3+])C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000044803559 175256065 /nfs/dbraw/zinc/25/60/65/175256065.db2.gz SBTJZRZIMKHSRO-ZDUSSCGKSA-N 2 0 267.417 1.448 10 0 CDAERP CCCC(C[NH3+])(CCC)C(=O)N[C@H](C)CC[NH+](C)C ZINC000044806541 175256371 /nfs/dbraw/zinc/25/63/71/175256371.db2.gz GPMJBMGIZYHXGK-CYBMUJFWSA-N 2 0 271.449 1.988 10 0 CDAERP CCCN[C@@](C)(C[NH+]1CCC(C[NH+](C)C)CC1)C(=O)OC ZINC000045277036 175346492 /nfs/dbraw/zinc/34/64/92/175346492.db2.gz LDRAAGJKYUTYGQ-INIZCTEOSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[NH2+][C@@](C)(CCC[NH+]1CCCCC1)C(N)=O ZINC000045378355 175367485 /nfs/dbraw/zinc/36/74/85/175367485.db2.gz MNNLWZJWYHQVMC-AWEZNQCLSA-N 2 0 255.406 1.496 10 0 CDAERP CC[NH2+][C@@](C)(CCC[N@H+](CC)CC(C)C)C(N)=O ZINC000045381835 175369887 /nfs/dbraw/zinc/36/98/87/175369887.db2.gz WUCVRKOLAIPKRU-AWEZNQCLSA-N 2 0 257.422 1.598 10 0 CDAERP CCC[N@H+](CC)CCC[C@@](C)([NH2+]C1CC1)C(N)=O ZINC000045387164 175372668 /nfs/dbraw/zinc/37/26/68/175372668.db2.gz JPIVATQZINNDSN-CQSZACIVSA-N 2 0 255.406 1.495 10 0 CDAERP CCC[NH2+][C@@](C)(CCC[N@H+](C)C[C@@H](C)CC)C(N)=O ZINC000045388697 175373860 /nfs/dbraw/zinc/37/38/60/175373860.db2.gz HXHZGWFAWIJIMS-ZFWWWQNUSA-N 2 0 271.449 1.988 10 0 CDAERP CC[NH2+][C@@](C)(CCCC[N@H+](C)CC1CC1)C(N)=O ZINC000045419919 175377701 /nfs/dbraw/zinc/37/77/01/175377701.db2.gz RGONDPAQUPHBCP-AWEZNQCLSA-N 2 0 255.406 1.352 10 0 CDAERP CCC[NH2+][C@](C)(CO)C[C@@H](C)N(C)C1CC[NH+](CC)CC1 ZINC000070514527 175963421 /nfs/dbraw/zinc/96/34/21/175963421.db2.gz JLNLLYFQFLBHLU-WBVHZDCISA-N 2 0 299.503 1.932 10 0 CDAERP CC(C)[NH2+][C@@H]1CCCN(C[C@H]2CCC[N@H+](C)C2)C1=O ZINC000071032349 176023690 /nfs/dbraw/zinc/02/36/90/176023690.db2.gz HXRMVOJGLJKRFN-UONOGXRCSA-N 2 0 267.417 1.317 10 0 CDAERP CC[NH+](CC)C[C@@H](C)N1CCC[C@@H]([NH2+]C2CC2)C1=O ZINC000071034756 176024623 /nfs/dbraw/zinc/02/46/23/176024623.db2.gz QRSYEIRFVAYJPA-TZMCWYRMSA-N 2 0 267.417 1.460 10 0 CDAERP CC[C@@H]1CCC[C@H]([N@H+](C)CC(=O)N2CC[NH2+]CC2)C1 ZINC000071126297 176035580 /nfs/dbraw/zinc/03/55/80/176035580.db2.gz DBEDPMFKNMVJRB-KGLIPLIRSA-N 2 0 267.417 1.319 10 0 CDAERP CC[C@@H]1CCCC[C@@]1(C[NH3+])N1CC[C@H]([NH+](C)C)C1 ZINC000071162204 176046289 /nfs/dbraw/zinc/04/62/89/176046289.db2.gz XEWXKDCXWCRKCD-ILXRZTDVSA-N 2 0 253.434 1.920 10 0 CDAERP CC[C@@H]1CCCC[C@]1(CN)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000071162222 176046393 /nfs/dbraw/zinc/04/63/93/176046393.db2.gz BMEKNCQVGNCJHX-IXDOHACOSA-N 2 0 295.471 1.691 10 0 CDAERP COc1ccc([C@H]([NH3+])[C@@H](C)N(C)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000071188721 176063598 /nfs/dbraw/zinc/06/35/98/176063598.db2.gz HGGMEIFKANIBPK-CKEIUWERSA-N 2 0 291.439 1.967 10 0 CDAERP CN(C[C@H]1CC[N@H+](C)C1)c1ccc(F)cc1C[NH3+] ZINC000071190069 176065254 /nfs/dbraw/zinc/06/52/54/176065254.db2.gz SIMXXWGPHLUFAI-NSHDSACASA-N 2 0 251.349 1.672 10 0 CDAERP CN(C[C@H]1CC[N@H+](C)C1)C(=O)[C@H]([NH3+])c1ccccc1 ZINC000071189583 176065790 /nfs/dbraw/zinc/06/57/90/176065790.db2.gz JRBYBPCVCAKHOS-GXTWGEPZSA-N 2 0 261.369 1.097 10 0 CDAERP C[NH2+][C@@H]1CCCC[C@H]1CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191392 176070515 /nfs/dbraw/zinc/07/05/15/176070515.db2.gz NGMSZCLOIDADHE-QLFBSQMISA-N 2 0 253.434 1.648 10 0 CDAERP CCC[NH2+]Cc1ccnc(N(C)C[C@H]2CC[N@H+](C)C2)c1 ZINC000071191713 176072330 /nfs/dbraw/zinc/07/23/30/176072330.db2.gz HWPVKIJBJGMZDF-HNNXBMFYSA-N 2 0 276.428 1.969 10 0 CDAERP CN(CC[NH2+]Cc1ccccc1)C[C@@H]1CC[N@H+](C)C1 ZINC000071192367 176073662 /nfs/dbraw/zinc/07/36/62/176073662.db2.gz SSRGHVWAQHEGAV-MRXNPFEDSA-N 2 0 261.413 1.660 10 0 CDAERP CN1CC[C@@H]([NH+]2CCC(C[NH2+]C(C)(C)C)CC2)C1=O ZINC000071196439 176076319 /nfs/dbraw/zinc/07/63/19/176076319.db2.gz KRBMJSNRFJAJPZ-CYBMUJFWSA-N 2 0 267.417 1.317 10 0 CDAERP CC[NH2+][C@@H]1CCN(CCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000071198145 176077104 /nfs/dbraw/zinc/07/71/04/176077104.db2.gz MCQWRVIVXZZSOI-LSDHHAIUSA-N 2 0 253.434 1.935 10 0 CDAERP CCC[NH2+][C@H]1CCCN(CC[NH+]2CCCCC2)C1 ZINC000071200626 176077507 /nfs/dbraw/zinc/07/75/07/176077507.db2.gz ZYVHYPLGGNAZCH-HNNXBMFYSA-N 2 0 253.434 1.936 10 0 CDAERP CN([C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000071309721 176116976 /nfs/dbraw/zinc/11/69/76/176116976.db2.gz LPHSECOWFAFQTG-JKSUJKDBSA-N 2 0 259.397 1.555 10 0 CDAERP CC(C)(O)C[NH+]1CCN([C@@H](C[NH3+])c2ccsc2)CC1 ZINC000071380131 176144249 /nfs/dbraw/zinc/14/42/49/176144249.db2.gz WNPHPWATIIMQNE-ZDUSSCGKSA-N 2 0 283.441 1.136 10 0 CDAERP Cc1ccc([C@@H]([C@@H](C)[NH3+])N2CC[NH+](CC(C)(C)O)CC2)o1 ZINC000071380303 176144315 /nfs/dbraw/zinc/14/43/15/176144315.db2.gz VZSKHBWGSCSOQI-UKRRQHHQSA-N 2 0 295.427 1.365 10 0 CDAERP C[C@@H]([NH3+])[C@H](c1ccccc1)N1CC[NH+](CC(C)(C)O)CC1 ZINC000071380173 176144344 /nfs/dbraw/zinc/14/43/44/176144344.db2.gz ALOQGZDVQLWNHZ-GDBMZVCRSA-N 2 0 291.439 1.463 10 0 CDAERP CCC[NH+]1CCN([C@@]2(C[NH3+])CCO[C@@](C)(CC)C2)CC1 ZINC000078621213 177361416 /nfs/dbraw/zinc/36/14/16/177361416.db2.gz ADMMAPQJCVLLTP-HOTGVXAUSA-N 2 0 283.460 1.691 10 0 CDAERP O=C(NC1(C[NH2+]CCF)CCCC1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001665929125 1173087561 /nfs/dbraw/zinc/08/75/61/1173087561.db2.gz YTICWDKJTHJXLF-VXGBXAGGSA-N 2 0 294.374 1.501 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000418580080 287622235 /nfs/dbraw/zinc/62/22/35/287622235.db2.gz SHAVRJNIYBBJPY-KFWWJZLASA-N 2 0 294.443 1.254 10 0 CDAERP CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001666988473 1173217254 /nfs/dbraw/zinc/21/72/54/1173217254.db2.gz YLMFDPFAJKSKDQ-QWHCGFSZSA-N 2 0 257.422 1.419 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)cc1 ZINC000655416967 423775952 /nfs/dbraw/zinc/77/59/52/423775952.db2.gz BHTYJIKRRWJUOJ-NUTKFTJISA-N 2 0 287.407 1.712 10 0 CDAERP CO[C@H](C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)C1CCC1 ZINC000662266291 423816998 /nfs/dbraw/zinc/81/69/98/423816998.db2.gz LGYZTODSKBPTRH-BYNSBNAKSA-N 2 0 252.402 1.861 10 0 CDAERP O=C(CC[NH2+]C1CC1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000655450230 423876818 /nfs/dbraw/zinc/87/68/18/423876818.db2.gz GYRZEDVAGULBSZ-TZMCWYRMSA-N 2 0 265.401 1.119 10 0 CDAERP C[C@@]12COC[C@@H]1C[N@H+](Cc1ccc3c(c1)C[NH2+]CC3)C2 ZINC000662310084 423943498 /nfs/dbraw/zinc/94/34/98/423943498.db2.gz GZKBIHILDHDZSZ-DLBZAZTESA-N 2 0 272.392 1.801 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)NCCC1(C[NH3+])CC1 ZINC000652192636 424011630 /nfs/dbraw/zinc/01/16/30/424011630.db2.gz IAGPLHHXPLIZMF-ZDUSSCGKSA-N 2 0 284.448 1.535 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+](C)C ZINC000662354084 423993579 /nfs/dbraw/zinc/99/35/79/423993579.db2.gz BMAAJSRZFLUYDV-HNNXBMFYSA-N 2 0 293.411 1.117 10 0 CDAERP CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[NH+](C)C ZINC000655245579 424060359 /nfs/dbraw/zinc/06/03/59/424060359.db2.gz PFSZJFXMIXSUHV-XQQFMLRXSA-N 2 0 255.406 1.029 10 0 CDAERP CCCC[C@@H](C[NH3+])NC(=O)NCc1ccccc1C[NH2+]C ZINC000652209343 424079897 /nfs/dbraw/zinc/07/98/97/424079897.db2.gz IAOZQVWMXWNDSJ-HNNXBMFYSA-N 2 0 292.427 1.723 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000652224664 424082673 /nfs/dbraw/zinc/08/26/73/424082673.db2.gz DZSWFPDIJBVNRV-CQSZACIVSA-N 2 0 298.475 1.733 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)NC1CC[NH2+]CC1 ZINC000652199782 424045892 /nfs/dbraw/zinc/04/58/92/424045892.db2.gz BYOAPSDIENUDBO-UHFFFAOYSA-N 2 0 270.421 1.016 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652240358 424121150 /nfs/dbraw/zinc/12/11/50/424121150.db2.gz YHMZEDDBPZVQRG-CYBMUJFWSA-N 2 0 282.432 1.241 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]CC=C(C)C ZINC001667038285 1173224505 /nfs/dbraw/zinc/22/45/05/1173224505.db2.gz HBTDKFKPHFTSOD-AWEZNQCLSA-N 2 0 269.433 1.731 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)NCCC1CC[NH2+]CC1 ZINC000653273215 424206969 /nfs/dbraw/zinc/20/69/69/424206969.db2.gz SYMOFQMWHKKLON-CYBMUJFWSA-N 2 0 267.417 1.271 10 0 CDAERP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653055183 424181491 /nfs/dbraw/zinc/18/14/91/424181491.db2.gz UTUUTRZAKQRQTG-HZSPNIEDSA-N 2 0 267.417 1.349 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)NCC2([NH3+])CCCC2)CC[N@@H+]1C ZINC000659573265 424240095 /nfs/dbraw/zinc/24/00/95/424240095.db2.gz NZDCCLCRBQXSEQ-CHWSQXEVSA-N 2 0 282.432 1.382 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662681323 424304719 /nfs/dbraw/zinc/30/47/19/424304719.db2.gz YUUGJNDNTRBGTO-CHWSQXEVSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000519151169 265339861 /nfs/dbraw/zinc/33/98/61/265339861.db2.gz HJJBIXZDBMVJFZ-HUBLWGQQSA-N 2 0 290.411 1.380 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655691610 424403273 /nfs/dbraw/zinc/40/32/73/424403273.db2.gz WXXZZVFPNCDKHX-DOTOQJQBSA-N 2 0 295.471 1.704 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000659620232 424416289 /nfs/dbraw/zinc/41/62/89/424416289.db2.gz YKYXBNJJDFSUHS-RWMBFGLXSA-N 2 0 270.421 1.129 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000665263955 424479597 /nfs/dbraw/zinc/47/95/97/424479597.db2.gz YUZDWLVRGPWGPS-ULQDDVLXSA-N 2 0 292.423 1.903 10 0 CDAERP CC(C)C[C@@H]([NH3+])c1noc([C@]2(C(F)(F)F)CC[NH2+]C2)n1 ZINC000663155882 424662065 /nfs/dbraw/zinc/66/20/65/424662065.db2.gz RJOULGHZUUSMQF-KCJUWKMLSA-N 2 0 292.305 1.909 10 0 CDAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C1(C)C[NH2+]C1 ZINC000399223212 270371518 /nfs/dbraw/zinc/37/15/18/270371518.db2.gz WTKBWNGVXDOINL-ZDUSSCGKSA-N 2 0 275.396 1.233 10 0 CDAERP FC(F)COCC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530239337 271177402 /nfs/dbraw/zinc/17/74/02/271177402.db2.gz FHDSFPBYAZOHDU-CYBMUJFWSA-N 2 0 292.370 1.359 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@H]2CNCC[C@H]2C)CC1 ZINC000422736569 276257426 /nfs/dbraw/zinc/25/74/26/276257426.db2.gz GOQHNBVVKKWHHI-HIFRSBDPSA-N 2 0 253.434 1.696 10 0 CDAERP CCOC1CC(O)(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000367596995 276310946 /nfs/dbraw/zinc/31/09/46/276310946.db2.gz KYMSZIPOPOCPPJ-ZMUBYXEMSA-N 2 0 282.428 1.379 10 0 CDAERP CC(C)C[NH+]1CCC(NC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000416942721 277385469 /nfs/dbraw/zinc/38/54/69/277385469.db2.gz SETBAMJWEPUQLL-ZFWWWQNUSA-N 2 0 296.459 1.404 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]([NH3+])[C@@H]2C)CC1 ZINC000335469045 277582119 /nfs/dbraw/zinc/58/21/19/277582119.db2.gz GNSXCGQDPDDQLL-AAEUAGOBSA-N 2 0 253.390 1.055 10 0 CDAERP COc1c[nH+]ccc1N1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000355646712 278076671 /nfs/dbraw/zinc/07/66/71/278076671.db2.gz FWPPBUPXJOVZSC-CQSZACIVSA-N 2 0 291.395 1.639 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000232816118 278221057 /nfs/dbraw/zinc/22/10/57/278221057.db2.gz IJUCWXFIAJLZIN-TZMCWYRMSA-N 2 0 279.428 1.365 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)C1([NH3+])CCCC1 ZINC000037616229 278969051 /nfs/dbraw/zinc/96/90/51/278969051.db2.gz JACUUTCHOFIMHN-LBPRGKRZSA-N 2 0 255.406 1.350 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000417011942 279157619 /nfs/dbraw/zinc/15/76/19/279157619.db2.gz UMQVPPZDFYBRLB-BFHYXJOUSA-N 2 0 284.448 1.343 10 0 CDAERP C[C@H](C(=O)N1CC[NH2+][C@H](C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000122614257 279199559 /nfs/dbraw/zinc/19/95/59/279199559.db2.gz ZULRNJWRKBUJNE-FVCCEPFGSA-N 2 0 253.390 1.068 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H]1C[NH2+]CC[C@H]1C)[NH+]1CCCCC1 ZINC000186800664 280185071 /nfs/dbraw/zinc/18/50/71/280185071.db2.gz WCUVZCFTRJNHTH-QLFBSQMISA-N 2 0 281.444 1.611 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000245880029 280236453 /nfs/dbraw/zinc/23/64/53/280236453.db2.gz AREJOVVWZWQHFU-OLZOCXBDSA-N 2 0 253.390 1.023 10 0 CDAERP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)COC(C)(C)C ZINC000247708244 280344822 /nfs/dbraw/zinc/34/48/22/280344822.db2.gz ZLOBOCKSASJNMN-HUUCEWRRSA-N 2 0 286.460 1.969 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000524039806 281102564 /nfs/dbraw/zinc/10/25/64/281102564.db2.gz UBAVTOLYXDZNJX-CABCVRRESA-N 2 0 279.428 1.558 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CC[C@H]1CCC[NH2+]C1 ZINC000251883651 288293929 /nfs/dbraw/zinc/29/39/29/288293929.db2.gz UZMLWSJWBWIXRB-BZUAXINKSA-N 2 0 265.445 1.935 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CC[C@@H]1CCC[NH2+]C1 ZINC000094440728 288294187 /nfs/dbraw/zinc/29/41/87/288294187.db2.gz UZMLWSJWBWIXRB-OWCLPIDISA-N 2 0 265.445 1.935 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423401385 288322933 /nfs/dbraw/zinc/32/29/33/288322933.db2.gz QVYRCVSOHYLFSX-LYYZXLFJSA-N 2 0 265.445 1.885 10 0 CDAERP CCN(CC[NH2+]CC1CCC1)C(=O)C12CC[NH+](CC1)C2 ZINC001668619342 1173432495 /nfs/dbraw/zinc/43/24/95/1173432495.db2.gz KTIJKPNLDQXJFH-UHFFFAOYSA-N 2 0 279.428 1.320 10 0 CDAERP CC[NH2+]CCN(CC)C(=O)CCC[NH+]1CCCCC1 ZINC001668644746 1173435891 /nfs/dbraw/zinc/43/58/91/1173435891.db2.gz GOFCUDGNXJDZTK-UHFFFAOYSA-N 2 0 269.433 1.711 10 0 CDAERP CN(CC1CC1)C(=O)CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157219916 289281867 /nfs/dbraw/zinc/28/18/67/289281867.db2.gz PSSJPPUKEAKYKE-MRXNPFEDSA-N 2 0 293.455 1.805 10 0 CDAERP C[C@H](CNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)C[NH+]1CCCC1 ZINC000417138357 289656134 /nfs/dbraw/zinc/65/61/34/289656134.db2.gz NVJYBJSJFXZUHU-RBSFLKMASA-N 2 0 294.443 1.112 10 0 CDAERP C[NH+]1CCN(CCC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000367617358 290041856 /nfs/dbraw/zinc/04/18/56/290041856.db2.gz QJZVFXAFXQHMGI-BBWFWOEESA-N 3 0 294.487 1.086 10 0 CDAERP Cc1n[nH]c(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)n1 ZINC000552280380 290063469 /nfs/dbraw/zinc/06/34/69/290063469.db2.gz FOWSWQRZVUGBFH-JHJVBQTASA-N 2 0 263.389 1.118 10 0 CDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H]2CCC(C)(C)O2)CC1 ZINC000184654917 290085004 /nfs/dbraw/zinc/08/50/04/290085004.db2.gz DUJCYKAAAPZVLV-HOCLYGCPSA-N 2 0 298.471 1.969 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](c1ccccc1)N(C)C ZINC000234727280 292804370 /nfs/dbraw/zinc/80/43/70/292804370.db2.gz UJNRQKVKPLDAKS-CVEARBPZSA-N 2 0 279.428 1.633 10 0 CDAERP C[C@H]1CCC(C)(C)[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000452003661 290368194 /nfs/dbraw/zinc/36/81/94/290368194.db2.gz GKICPWXVJQMKAG-ZDUSSCGKSA-N 2 0 293.455 1.992 10 0 CDAERP C[C@@H]1CN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CC[C@@H]1[NH3+] ZINC000563102927 293275157 /nfs/dbraw/zinc/27/51/57/293275157.db2.gz NTZCIZMOSIMMLE-RDBSUJKOSA-N 2 0 267.417 1.447 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc1 ZINC000567907265 293904534 /nfs/dbraw/zinc/90/45/34/293904534.db2.gz RVIWJLRRDLIENV-CQSZACIVSA-N 2 0 259.353 1.112 10 0 CDAERP CO[C@H]1C[C@H]2C[C@H]([NH2+][C@H](C)CN3CC[NH+](C)CC3)C[C@H]2C1 ZINC000424290577 294679125 /nfs/dbraw/zinc/67/91/25/294679125.db2.gz BDTAGXRRZFHPQQ-NRKLIOEPSA-N 2 0 295.471 1.416 10 0 CDAERP Cc1cc(C)c(CNC(=O)C[N@H+]2CC[C@@H](C)C2)cn1 ZINC000574651894 295035066 /nfs/dbraw/zinc/03/50/66/295035066.db2.gz VWUZLFORZKWJMN-LLVKDONJSA-N 2 0 261.369 1.656 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000261812392 295271620 /nfs/dbraw/zinc/27/16/20/295271620.db2.gz RYAUJWXDXPZXFT-OWCLPIDISA-N 2 0 293.455 1.838 10 0 CDAERP [NH3+][C@H]1CCC[C@@H](C(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000055088341 295335345 /nfs/dbraw/zinc/33/53/45/295335345.db2.gz XKNJYUJVUDOXCT-KGLIPLIRSA-N 2 0 279.428 1.591 10 0 CDAERP C[C@H](CNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)C[NH+]1CCCCC1 ZINC000417191905 298734362 /nfs/dbraw/zinc/73/43/62/298734362.db2.gz MYDAULXETBXQQV-RBSFLKMASA-N 2 0 296.459 1.406 10 0 CDAERP C[C@H](CNC(=O)N[C@H]1CC[NH2+]C[C@@H]1C)C[NH+]1CCCC1 ZINC000417163956 298740090 /nfs/dbraw/zinc/74/00/90/298740090.db2.gz TUELQUIVZDPWDY-RDBSUJKOSA-N 2 0 282.432 1.016 10 0 CDAERP CCCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001669207365 1173516714 /nfs/dbraw/zinc/51/67/14/1173516714.db2.gz MFVJTNNFXCULFT-KIUWMYQTSA-N 2 0 281.444 1.923 10 0 CDAERP C[C@]1(CN2CCC([NH+]3CCCC3)CC2)CC[NH2+]C1 ZINC000261689545 300796121 /nfs/dbraw/zinc/79/61/21/300796121.db2.gz BBBMUBFVQBPBEA-HNNXBMFYSA-N 2 0 251.418 1.546 10 0 CDAERP [NH3+]C[C@@H](C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000334568639 303391371 /nfs/dbraw/zinc/39/13/71/303391371.db2.gz HWMARIHAYZURHL-GDBMZVCRSA-N 2 0 291.370 1.080 10 0 CDAERP CC(C)CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001669925725 1173633442 /nfs/dbraw/zinc/63/34/42/1173633442.db2.gz UWRPSRHMASKRTE-KGLIPLIRSA-N 2 0 269.433 1.421 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@](C)(C[NH2+]C/C=C/Cl)C2)C1 ZINC001671811468 1173714310 /nfs/dbraw/zinc/71/43/10/1173714310.db2.gz ZGZXASNHCBWPRK-YEZGLVMTSA-N 2 0 299.846 1.519 10 0 CDAERP CN(CCC[NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000577164624 317276287 /nfs/dbraw/zinc/27/62/87/317276287.db2.gz OVXROZQHRBWZIL-CABCVRRESA-N 2 0 290.411 1.422 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000577392062 317323236 /nfs/dbraw/zinc/32/32/36/317323236.db2.gz LCNZRPFZSNBRBG-SDDRHHMPSA-N 2 0 278.400 1.631 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000579073108 324094338 /nfs/dbraw/zinc/09/43/38/324094338.db2.gz UVTXBLDYASFNGG-OAHLLOKOSA-N 2 0 296.459 1.596 10 0 CDAERP CC[NH2+]CCCNC(=O)c1ccccc1OCC[NH+](C)C ZINC000579112290 324107733 /nfs/dbraw/zinc/10/77/33/324107733.db2.gz BHTNVOSAANIIEC-UHFFFAOYSA-N 2 0 293.411 1.356 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCC[NH2+]C(C)C)[C@@H](C)C1 ZINC000579572325 324220138 /nfs/dbraw/zinc/22/01/38/324220138.db2.gz ZDLAUDWAWGPYOQ-GJZGRUSLSA-N 2 0 298.475 1.746 10 0 CDAERP CCOCC[C@@H](O)C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000583689112 325221706 /nfs/dbraw/zinc/22/17/06/325221706.db2.gz UGMLTYDNOQRRTR-OAHLLOKOSA-N 2 0 298.402 1.764 10 0 CDAERP CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001268062922 1159767384 /nfs/dbraw/zinc/76/73/84/1159767384.db2.gz FQYRIFDGSWNOGR-TZMCWYRMSA-N 2 0 267.417 1.175 10 0 CDAERP CC(C)CC[NH2+]CC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001700075548 1176740093 /nfs/dbraw/zinc/74/00/93/1176740093.db2.gz ICHRBLKGKYFUBG-OAHLLOKOSA-N 2 0 283.460 1.812 10 0 CDAERP CC[NH+](CC)C1CCN(C(=O)CC2([NH3+])CC2)CC1 ZINC000398087690 1160094267 /nfs/dbraw/zinc/09/42/67/1160094267.db2.gz MVRAEDSGIBWLPC-UHFFFAOYSA-N 2 0 253.390 1.201 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000373368698 1160148057 /nfs/dbraw/zinc/14/80/57/1160148057.db2.gz JRAPEEJRQQBWIJ-XHSDSOJGSA-N 2 0 293.455 1.661 10 0 CDAERP [NH3+][C@@H]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000169241887 1160572588 /nfs/dbraw/zinc/57/25/88/1160572588.db2.gz MAEJEMJJIDRTPB-HRCADAONSA-N 2 0 293.455 1.981 10 0 CDAERP C[NH+](C)C[C@@H](NC(=O)CC1([NH3+])CC1)c1ccccc1 ZINC000398018043 482209167 /nfs/dbraw/zinc/20/91/67/482209167.db2.gz APCUPLFMVQDKBC-CYBMUJFWSA-N 2 0 261.369 1.287 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NC1(C)CCC1 ZINC000665760762 482445548 /nfs/dbraw/zinc/44/55/48/482445548.db2.gz ONWJYLJQWPBVEY-ZDUSSCGKSA-N 2 0 284.448 1.500 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)NCCC1(C[NH3+])CC1 ZINC000652145688 482447053 /nfs/dbraw/zinc/44/70/53/482447053.db2.gz WAUJXXMIHBQDEC-GFCCVEGCSA-N 2 0 270.421 1.145 10 0 CDAERP C[C@@H]1C[C@H]1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000668490291 482457879 /nfs/dbraw/zinc/45/78/79/482457879.db2.gz UQLNSGILYXTCOJ-XOKHGSTOSA-N 2 0 274.408 1.999 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCC[NH+](C)C1 ZINC000672753924 482600997 /nfs/dbraw/zinc/60/09/97/482600997.db2.gz BHEAIXZDHMMMIJ-KBPBESRZSA-N 2 0 282.432 1.254 10 0 CDAERP C[NH+]1CCCC[C@H]1CCC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000672770046 482605117 /nfs/dbraw/zinc/60/51/17/482605117.db2.gz KMEQZFVAPNAVGQ-KGLIPLIRSA-N 2 0 267.417 1.461 10 0 CDAERP [NH3+]CCOCC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000093230823 482698113 /nfs/dbraw/zinc/69/81/13/482698113.db2.gz MUZOJTRGJHMMKR-UHFFFAOYSA-N 2 0 277.368 1.196 10 0 CDAERP [NH3+][C@@H](Cc1ccccc1)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334348610 482718852 /nfs/dbraw/zinc/71/88/52/482718852.db2.gz SXNFEJYNSLFOIX-DOTOQJQBSA-N 2 0 287.407 1.159 10 0 CDAERP CCC[NH2+][C@H]1C[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001691533709 1160583520 /nfs/dbraw/zinc/58/35/20/1160583520.db2.gz CNBSRVRYWLHLAW-IHRRRGAJSA-N 2 0 267.417 1.223 10 0 CDAERP CO[C@H]1CCC[C@@H]([NH2+]CCN2CCC([NH+](C)C)CC2)C1 ZINC000684390826 482788131 /nfs/dbraw/zinc/78/81/31/482788131.db2.gz NFWDXPPHZBWKGM-ZBFHGGJFSA-N 2 0 283.460 1.560 10 0 CDAERP [NH3+]Cc1cccc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000094462997 482789469 /nfs/dbraw/zinc/78/94/69/482789469.db2.gz FFGMMJYLXINVSU-CQSZACIVSA-N 2 0 274.368 1.457 10 0 CDAERP [NH3+]C/C=C/CNC(=O)NCCCCC[NH+]1CCCC1 ZINC000669591845 482877014 /nfs/dbraw/zinc/87/70/14/482877014.db2.gz NOAVMPZYGZGPFF-DUXPYHPUSA-N 2 0 268.405 1.067 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CNC[C@@H]1CCCC[NH2+]1 ZINC000666770106 482911855 /nfs/dbraw/zinc/91/18/55/482911855.db2.gz LBAXJPSOZUJQMX-HNNXBMFYSA-N 2 0 285.395 1.807 10 0 CDAERP CN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000261721051 482921014 /nfs/dbraw/zinc/92/10/14/482921014.db2.gz KDGPSFTUPJWBBK-MRVWCRGKSA-N 2 0 265.401 1.057 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)C1 ZINC000223764826 482992165 /nfs/dbraw/zinc/99/21/65/482992165.db2.gz URBXQDAQHHRUHF-ZYHUDNBSSA-N 2 0 293.333 1.129 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250081099 483013259 /nfs/dbraw/zinc/01/32/59/483013259.db2.gz JWVVUUBRTVLPMI-CABCVRRESA-N 2 0 287.407 1.544 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000250487144 483018420 /nfs/dbraw/zinc/01/84/20/483018420.db2.gz FFLDXDDBRQOMBF-RDBSUJKOSA-N 2 0 267.417 1.208 10 0 CDAERP C[C@@H]1C[N@H+](C)C[C@@H]1Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000674878888 483165794 /nfs/dbraw/zinc/16/57/94/483165794.db2.gz RVJPUUURNOYOBO-RISCZKNCSA-N 2 0 257.341 1.629 10 0 CDAERP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000669491376 483280167 /nfs/dbraw/zinc/28/01/67/483280167.db2.gz WXBSTXQQYADILH-ZFWWWQNUSA-N 2 0 292.427 1.007 10 0 CDAERP CC[NH+]1CCC(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667853252 483459913 /nfs/dbraw/zinc/45/99/13/483459913.db2.gz YDLRBIMWPHZBRF-GJZGRUSLSA-N 2 0 252.402 1.875 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)NC[C@H]2CCCC[NH+]2C2CC2)C1 ZINC000683387498 483503183 /nfs/dbraw/zinc/50/31/83/483503183.db2.gz YWMBXJVGIUHDKR-UKRRQHHQSA-N 2 0 294.443 1.397 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000055136581 519686140 /nfs/dbraw/zinc/68/61/40/519686140.db2.gz CUGJRQFEOIMAFT-KKUMJFAQSA-N 2 0 281.444 1.741 10 0 CDAERP CC(C)[NH2+]C[C@H]1CC[C@@H](C[NH+]2CCSCC2)O1 ZINC000052443287 519725854 /nfs/dbraw/zinc/72/58/54/519725854.db2.gz FTRSFLXWOKZVEX-OLZOCXBDSA-N 2 0 258.431 1.581 10 0 CDAERP CC(C)C[NH2+]CCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515279 519743569 /nfs/dbraw/zinc/74/35/69/519743569.db2.gz VIPLNLLGKRHUCW-UHFFFAOYSA-N 3 0 255.450 1.896 10 0 CDAERP CC[NH2+]CCCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001483512443 1160933035 /nfs/dbraw/zinc/93/30/35/1160933035.db2.gz ZWMCKOQWDSRRTD-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CC[NH2+][C@H](CN1CC[C@H]([NH+]2CCCCC2)C1)C1CC1 ZINC000069075470 520199360 /nfs/dbraw/zinc/19/93/60/520199360.db2.gz FGAIBEHGAPCCGS-JKSUJKDBSA-N 2 0 265.445 1.935 10 0 CDAERP CC(C)C[C@@H](C[NH2+]CCF)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001715391960 1179655199 /nfs/dbraw/zinc/65/51/99/1179655199.db2.gz KZVJCIXRQSUWSI-KGLIPLIRSA-N 2 0 287.423 1.418 10 0 CDAERP C[NH2+]Cc1cnc(N2CCC[C@H]2C[NH+](C)C)c(Cl)c1 ZINC000061654233 522146820 /nfs/dbraw/zinc/14/68/20/522146820.db2.gz GHZMOIWNTHWXAW-LBPRGKRZSA-N 2 0 282.819 1.985 10 0 CDAERP CC(C)C[C@H](CNC(=O)C1(C)CC[NH2+]CC1)[NH+](C)C ZINC000062841152 519346062 /nfs/dbraw/zinc/34/60/62/519346062.db2.gz JGSGXCJSDFFINA-CYBMUJFWSA-N 2 0 269.433 1.469 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CC[C@H](C[NH+]2CCSCC2)O1 ZINC000052443284 519723948 /nfs/dbraw/zinc/72/39/48/519723948.db2.gz FTRSFLXWOKZVEX-QWHCGFSZSA-N 2 0 258.431 1.581 10 0 CDAERP CC(C)C[NH+]1CCN(CC[NH2+][C@H](C)C(C)C)CC1 ZINC000055075722 519726071 /nfs/dbraw/zinc/72/60/71/519726071.db2.gz CQESDKLADCYHGG-OAHLLOKOSA-N 2 0 255.450 1.894 10 0 CDAERP CC(C)C[NH+]1CCN(CC[NH2+][C@@H](C)[C@@H]2CCCO2)CC1 ZINC000055076042 519726068 /nfs/dbraw/zinc/72/60/68/519726068.db2.gz LIRSDCNMPJGKQD-HOTGVXAUSA-N 2 0 283.460 1.417 10 0 CDAERP CC(C)C[NH+]1CCN([C@@H](C[NH3+])c2ccco2)CC1 ZINC000055077377 519727529 /nfs/dbraw/zinc/72/75/29/519727529.db2.gz CMLMTHTZSPSIPU-ZDUSSCGKSA-N 2 0 251.374 1.553 10 0 CDAERP CCC[NH+]1CCC(C[NH3+])(N2CC[C@@H]([NH+](CC)CC)C2)CC1 ZINC000062978334 519842322 /nfs/dbraw/zinc/84/23/22/519842322.db2.gz FLPXEUJFQLZSJH-MRXNPFEDSA-N 3 0 296.503 1.606 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]C[C@@H]2CN(C)CCN2C)C1 ZINC000068803589 519852129 /nfs/dbraw/zinc/85/21/29/519852129.db2.gz LMRITJVXJDTBPU-BRWVUGGUSA-N 2 0 296.503 1.332 10 0 CDAERP CCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]([NH3+])CC[C@@H]2C)CC1 ZINC000055124574 519856261 /nfs/dbraw/zinc/85/62/61/519856261.db2.gz YQZUGQZUKFZLPF-BFHYXJOUSA-N 2 0 267.417 1.304 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000061294288 519904083 /nfs/dbraw/zinc/90/40/83/519904083.db2.gz DQWIVULAEHGAAO-UHFFFAOYSA-N 2 0 291.439 1.965 10 0 CDAERP CC[NH2+]CCC[C@H](C)[NH+]1CCN(c2ncccn2)CC1 ZINC000052418497 519919893 /nfs/dbraw/zinc/91/98/93/519919893.db2.gz SHUWNBBMSXAKDL-AWEZNQCLSA-N 2 0 277.416 1.377 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000061233470 519939976 /nfs/dbraw/zinc/93/99/76/519939976.db2.gz UNWJWHQRAOAVIX-GFCCVEGCSA-N 2 0 263.385 1.932 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@@H+]2CCOCC2(C)C)O1 ZINC000052546186 519979986 /nfs/dbraw/zinc/97/99/86/519979986.db2.gz UCFFNIBVQRAXFL-OLZOCXBDSA-N 2 0 256.390 1.254 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000061270042 520066968 /nfs/dbraw/zinc/06/69/68/520066968.db2.gz UZRBMSRXJYODTA-STQMWFEESA-N 2 0 257.422 1.467 10 0 CDAERP CCC[NH2+][C@H]1CCOC[C@@H]1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062979367 520095991 /nfs/dbraw/zinc/09/59/91/520095991.db2.gz KBXSNKQLDASEPS-JYJNAYRXSA-N 2 0 281.444 1.314 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000061273795 520165516 /nfs/dbraw/zinc/16/55/16/520165516.db2.gz SQLIHHBSVONOFF-CQSZACIVSA-N 2 0 269.433 1.613 10 0 CDAERP CCO[C@@H](C[NH3+])CN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000062739424 520310960 /nfs/dbraw/zinc/31/09/60/520310960.db2.gz FTCXLVKBWYIPKE-JKSUJKDBSA-N 2 0 277.412 1.339 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)CC[NH2+]CC)CC1 ZINC000061290265 520569690 /nfs/dbraw/zinc/56/96/90/520569690.db2.gz BWKLRROHDRVTIG-UHFFFAOYSA-N 2 0 255.406 1.367 10 0 CDAERP CC[NH+](CC)CCC[C@H](C)[NH2+]CCCC(=O)NC ZINC000068817562 520637373 /nfs/dbraw/zinc/63/73/73/520637373.db2.gz HSATXSDJJKPKLN-ZDUSSCGKSA-N 2 0 257.422 1.613 10 0 CDAERP CC1CC[NH+](CCn2cc(C[NH2+]C(C)(C)C)nn2)CC1 ZINC000052377042 521017200 /nfs/dbraw/zinc/01/72/00/521017200.db2.gz WYSUWOXXSGDTFI-UHFFFAOYSA-N 2 0 279.432 1.898 10 0 CDAERP CC[N@H+](CCn1cc(C[NH2+]C(C)C)nn1)[C@H](C)COC ZINC000052504874 521184638 /nfs/dbraw/zinc/18/46/38/521184638.db2.gz BDPHVPUAWOALBN-CYBMUJFWSA-N 2 0 283.420 1.133 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@H]2CCC[C@@H]([NH3+])[C@@H]2C)CC1 ZINC000055140046 521552071 /nfs/dbraw/zinc/55/20/71/521552071.db2.gz VRICISLLEHKBJZ-VHDGCEQUSA-N 2 0 281.444 1.598 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000367903433 521586510 /nfs/dbraw/zinc/58/65/10/521586510.db2.gz KSCXBGATSPTNCO-BZUAXINKSA-N 2 0 293.455 1.851 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@@H]1CCC[C@@H](C[NH3+])C1 ZINC000055162763 521654465 /nfs/dbraw/zinc/65/44/65/521654465.db2.gz AZUPACCRLHIKOI-ZIAGYGMSSA-N 2 0 269.433 1.552 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)C[C@H]1CCCC[NH2+]1 ZINC000061652091 521831926 /nfs/dbraw/zinc/83/19/26/521831926.db2.gz VFFGSNDIRGWNJO-OLZOCXBDSA-N 2 0 253.390 1.071 10 0 CDAERP C[NH2+]CC1(C[N@H+](C)C[C@@H]2CCCO2)CCOCC1 ZINC000052183007 521965572 /nfs/dbraw/zinc/96/55/72/521965572.db2.gz KKGNMYLJHFUESO-ZDUSSCGKSA-N 2 0 256.390 1.113 10 0 CDAERP C[NH2+]C[C@@H]1CC[C@H](C[NH+]2CCN(c3ccccc3)CC2)O1 ZINC000052417343 522062029 /nfs/dbraw/zinc/06/20/29/522062029.db2.gz CPKBMLGFQRSWEK-DLBZAZTESA-N 2 0 289.423 1.576 10 0 CDAERP CC[C@@H](C)[N@H+](CCOC)Cc1ccnc(C(N)=[NH2+])c1 ZINC000068761592 522092809 /nfs/dbraw/zinc/09/28/09/522092809.db2.gz ZXQZHDTUPBAUEV-LLVKDONJSA-N 2 0 264.373 1.613 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000061613488 522111378 /nfs/dbraw/zinc/11/13/78/522111378.db2.gz WSJHQUCBVAVAOW-ZBFHGGJFSA-N 2 0 289.423 1.672 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(Cc2cc(C[NH3+])c(C)o2)CC1 ZINC000055073638 522126889 /nfs/dbraw/zinc/12/68/89/522126889.db2.gz QCMAGUNILXXLNB-GFCCVEGCSA-N 2 0 265.401 1.963 10 0 CDAERP CC[C@@H](C)[NH+]1CCN([C@H](C)C[NH2+]CCOC)CC1 ZINC000055075185 522130843 /nfs/dbraw/zinc/13/08/43/522130843.db2.gz YGXACCFWLSYAOE-ZIAGYGMSSA-N 2 0 257.422 1.027 10 0 CDAERP C[NH2+]Cc1ccoc1C[N@H+](CCOC)[C@H](C)COC ZINC000052572313 522139768 /nfs/dbraw/zinc/13/97/68/522139768.db2.gz XTHHLIGREVHUBA-GFCCVEGCSA-N 2 0 270.373 1.482 10 0 CDAERP CN(C1CC[NH+](C)CC1)[C@H]1COc2ccccc2[C@@H]1[NH3+] ZINC000054622274 522413682 /nfs/dbraw/zinc/41/36/82/522413682.db2.gz YQSMPGAGEBKJPR-HOCLYGCPSA-N 2 0 275.396 1.473 10 0 CDAERP COCC1CC[NH+](CCC[C@@](C)([NH2+]C2CC2)C(N)=O)CC1 ZINC000069507400 522932827 /nfs/dbraw/zinc/93/28/27/522932827.db2.gz QWMKOWNBZKPRDO-MRXNPFEDSA-N 2 0 297.443 1.121 10 0 CDAERP CC[C@@H]1CCC[N@H+](CCn2cc(C[NH2+]C)nn2)C1 ZINC000052479769 523250128 /nfs/dbraw/zinc/25/01/28/523250128.db2.gz LVTKJLTVGKQGAZ-GFCCVEGCSA-N 2 0 251.378 1.120 10 0 CDAERP CCn1cnnc1[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000163479867 523597267 /nfs/dbraw/zinc/59/72/67/523597267.db2.gz OFSFBNFKCPROLG-CABCVRRESA-N 2 0 291.443 1.962 10 0 CDAERP CN([C@@H]1CCC[N@H+](C)C1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000069267060 523624610 /nfs/dbraw/zinc/62/46/10/523624610.db2.gz DISDEVQHFZEZKO-GDBMZVCRSA-N 2 0 259.397 1.857 10 0 CDAERP COCC[NH+](CCOC)Cc1c2ccccc2oc1C[NH3+] ZINC000052571405 523719171 /nfs/dbraw/zinc/71/91/71/523719171.db2.gz NXDPNJONYHKQCA-UHFFFAOYSA-N 2 0 292.379 1.986 10 0 CDAERP COCC[NH+](CCOC)Cc1oc2ccccc2c1C[NH3+] ZINC000052571440 523722503 /nfs/dbraw/zinc/72/25/03/523722503.db2.gz ZQEQSJUBTVDQFU-UHFFFAOYSA-N 2 0 292.379 1.986 10 0 CDAERP COCC[NH+](CCOC)[C@@H](C)CCC[NH2+]C1CC1 ZINC000052571459 523724222 /nfs/dbraw/zinc/72/42/22/523724222.db2.gz CDONSNPPXQBGST-ZDUSSCGKSA-N 2 0 258.406 1.502 10 0 CDAERP COCC[N@H+](Cc1cc(C[NH3+])c(C)o1)[C@H](C)COC ZINC000052572341 523740010 /nfs/dbraw/zinc/74/00/10/523740010.db2.gz KFCIMFSAGQVIHK-LLVKDONJSA-N 2 0 270.373 1.530 10 0 CDAERP C[NH+]1CCC(N2CC[NH2+]C[C@@H]2c2ccccc2)CC1 ZINC000062655554 523769486 /nfs/dbraw/zinc/76/94/86/523769486.db2.gz WOQQEONXEBUOJF-MRXNPFEDSA-N 2 0 259.397 1.727 10 0 CDAERP C[NH+]1CCC(NC(=O)C[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000055126722 523773698 /nfs/dbraw/zinc/77/36/98/523773698.db2.gz HLNVOLBTDSNFIM-NEPJUHHUSA-N 2 0 253.390 1.104 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCN[C@@H]1CC[NH+](C2CC2)C1 ZINC000052206148 523791996 /nfs/dbraw/zinc/79/19/96/523791996.db2.gz OHTPFSHJLWBHOI-ZIAGYGMSSA-N 2 0 251.418 1.687 10 0 CDAERP C[N@@H+]1CCC[C@H](CNC(=O)c2c[nH+]c(NN)c(Cl)c2)C1 ZINC000051114242 523839726 /nfs/dbraw/zinc/83/97/26/523839726.db2.gz HSLFPJHONHPURF-SECBINFHSA-N 2 0 297.790 1.092 10 0 CDAERP CC[C@H](C)[N@H+](CCOC)Cc1ccnc(C(N)=[NH2+])c1 ZINC000068761596 523939670 /nfs/dbraw/zinc/93/96/70/523939670.db2.gz ZXQZHDTUPBAUEV-NSHDSACASA-N 2 0 264.373 1.613 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000055083483 523955989 /nfs/dbraw/zinc/95/59/89/523955989.db2.gz NZJAZDQQRIYHRD-DOTOQJQBSA-N 2 0 275.440 1.973 10 0 CDAERP COc1ccc(C[N@H+](C)CC2(C[NH3+])CCOCC2)cc1 ZINC000052183052 524002676 /nfs/dbraw/zinc/00/26/76/524002676.db2.gz DEOHQQBALJZUOL-UHFFFAOYSA-N 2 0 278.396 1.883 10 0 CDAERP C[NH+](C)C1CCN(C(=O)C[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000055128238 524038542 /nfs/dbraw/zinc/03/85/42/524038542.db2.gz MBAKQUBJKHINJM-OLZOCXBDSA-N 2 0 267.417 1.447 10 0 CDAERP C[NH+](C)C1CCN(C(=O)CCC2CC[NH2+]CC2)CC1 ZINC000050942876 524038987 /nfs/dbraw/zinc/03/89/87/524038987.db2.gz DNYKLRUHRGNNNK-UHFFFAOYSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@@H]1CCC[C@@H]([N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)[C@@H]1C ZINC000068632526 524301546 /nfs/dbraw/zinc/30/15/46/524301546.db2.gz SJVOQGGCYWOGDV-APIJFGDWSA-N 2 0 281.444 1.598 10 0 CDAERP C[C@@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000055132645 524301610 /nfs/dbraw/zinc/30/16/10/524301610.db2.gz KCLYWZDBWFZAGN-FVQBIDKESA-N 2 0 293.455 1.837 10 0 CDAERP C[C@@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)N1CCC([NH+](C)C)CC1 ZINC000055128233 524302890 /nfs/dbraw/zinc/30/28/90/524302890.db2.gz QWTRJWUYGKWTLK-MRVWCRGKSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)C1(C)CC[NH2+]CC1 ZINC000062839954 524327366 /nfs/dbraw/zinc/32/73/66/524327366.db2.gz ACFMGGWSBPDNRT-CYBMUJFWSA-N 2 0 267.417 1.367 10 0 CDAERP C[C@H]1CC[C@H](C(=O)NCC(C)(C)[NH+](C)C)C[C@@H]1[NH3+] ZINC000055141681 524380840 /nfs/dbraw/zinc/38/08/40/524380840.db2.gz OGFJXQGHDBEBAK-SRVKXCTJSA-N 2 0 255.406 1.206 10 0 CDAERP C[C@@H](C[NH+]1CCCC1)NC(=O)[C@@H]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC000055140679 524589644 /nfs/dbraw/zinc/58/96/44/524589644.db2.gz HCFMNQJSYOVDRE-RQJABVFESA-N 2 0 267.417 1.350 10 0 CDAERP C[C@@H](CNC(=O)CCC1CCC([NH3+])CC1)[NH+](C)C ZINC000055135905 524646678 /nfs/dbraw/zinc/64/66/78/524646678.db2.gz FFDHXGAMUZBKCK-HIFPTAJRSA-N 2 0 255.406 1.350 10 0 CDAERP C[C@H](C[C@](C)(CO)[NH2+]C1CC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000070336402 524655006 /nfs/dbraw/zinc/65/50/06/524655006.db2.gz USSNFDYHSQXAPK-HYVNUMGLSA-N 2 0 295.471 1.438 10 0 CDAERP C[C@@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)NCCCC[NH+](C)C ZINC000055138967 524684306 /nfs/dbraw/zinc/68/43/06/524684306.db2.gz SWZGVOBTMVACJL-AGIUHOORSA-N 2 0 255.406 1.208 10 0 CDAERP C[C@H]1C[C@H]([NH3+])CC[C@@H]1C(=O)NCCCC[NH+](C)C ZINC000055138995 524904907 /nfs/dbraw/zinc/90/49/07/524904907.db2.gz CFCNYRGVNYWMDC-XQQFMLRXSA-N 2 0 255.406 1.208 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC[N@@H+]1C ZINC000246581880 525414889 /nfs/dbraw/zinc/41/48/89/525414889.db2.gz VQSNVNJVBUMSEL-XJFOESAGSA-N 2 0 267.417 1.445 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCC[NH2+]CCn1cccn1 ZINC000049314091 526248770 /nfs/dbraw/zinc/24/87/70/526248770.db2.gz PWZKGVWFWPUEFT-AWEZNQCLSA-N 2 0 250.390 1.737 10 0 CDAERP C[C@H]1CCCC[C@@H]1[NH2+]CCN1CCC[N@H+](C)CC1 ZINC000049591417 526257882 /nfs/dbraw/zinc/25/78/82/526257882.db2.gz JWSHTUPVMMSOFR-GJZGRUSLSA-N 2 0 253.434 1.792 10 0 CDAERP C[C@H]1CCCC[C@@H]1[NH2+]CCN1CCN(CC[NH+](C)C)CC1 ZINC000061655393 526257943 /nfs/dbraw/zinc/25/79/43/526257943.db2.gz OVHRLMLMEZFTRC-IRXDYDNUSA-N 2 0 296.503 1.334 10 0 CDAERP O[C@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)C(F)(F)F ZINC000068877475 526271684 /nfs/dbraw/zinc/27/16/84/526271684.db2.gz WYPVFNXWWZSXKI-GFCCVEGCSA-N 2 0 280.334 1.717 10 0 CDAERP Cc1oc(C[NH+]2CCC(C[NH+](C)C)CC2)cc1C[NH3+] ZINC000052515311 526770729 /nfs/dbraw/zinc/77/07/29/526770729.db2.gz BNHOPBIXEUJIQS-UHFFFAOYSA-N 3 0 265.401 1.820 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H](C(=O)NCC[NH+]2CCCCC2)C1 ZINC000055162455 527235272 /nfs/dbraw/zinc/23/52/72/527235272.db2.gz QSLFFEHJTDCFBM-KBPBESRZSA-N 2 0 267.417 1.354 10 0 CDAERP [NH3+]Cc1coc(CN2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000062973680 527264415 /nfs/dbraw/zinc/26/44/15/527264415.db2.gz FHBSPXGFBHJTRP-CQSZACIVSA-N 2 0 263.385 1.799 10 0 CDAERP [NH3+][C@H]1CCC[C@@H](CC(=O)NCC[NH+]2CCCCC2)C1 ZINC000055138391 527403328 /nfs/dbraw/zinc/40/33/28/527403328.db2.gz BZYMKASQCQNIHL-KGLIPLIRSA-N 2 0 267.417 1.496 10 0 CDAERP C(CC[NH+]1CCOCC1)C[NH2+]Cc1nc2c(s1)CCC2 ZINC000093062199 1174423903 /nfs/dbraw/zinc/42/39/03/1174423903.db2.gz FLXOQSJWEHWUHY-UHFFFAOYSA-N 2 0 295.452 1.834 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CC(C)(C)N1CCC[C@@H](C)C1 ZINC000422752280 536593401 /nfs/dbraw/zinc/59/34/01/536593401.db2.gz DORGRRTVCCQICG-HUUCEWRRSA-N 2 0 285.476 1.840 10 0 CDAERP COCCOc1cccc(C[NH2+][C@H](C)C2C[NH2+]C2)c1 ZINC000422900096 536717929 /nfs/dbraw/zinc/71/79/29/536717929.db2.gz PVIHNVNLYWUIPY-GFCCVEGCSA-N 2 0 264.369 1.409 10 0 CDAERP COC(=O)c1cc(C[NH2+]CC2CC[NH+](C)CC2)n(C)c1C ZINC000314026287 536885701 /nfs/dbraw/zinc/88/57/01/536885701.db2.gz NLORCDOEWXYVTO-UHFFFAOYSA-N 2 0 293.411 1.552 10 0 CDAERP CC(C)([NH3+])C(C)(C)CNc1ccnn1C1C[NH2+]C1 ZINC000725258142 538452800 /nfs/dbraw/zinc/45/28/00/538452800.db2.gz IIOMBBJPOQHPHK-UHFFFAOYSA-N 2 0 251.378 1.203 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1[NH2+][C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000650751887 574439320 /nfs/dbraw/zinc/43/93/20/574439320.db2.gz DMSLSYSMSCZFBE-TUVASFSCSA-N 2 0 261.369 1.771 10 0 CDAERP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccoc1 ZINC000732229630 575084002 /nfs/dbraw/zinc/08/40/02/575084002.db2.gz QTUFYXXBHVXYKN-CQSZACIVSA-N 2 0 252.358 1.606 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCC2OCCCO2)[C@H](C)C1 ZINC000754660127 576909116 /nfs/dbraw/zinc/90/91/16/576909116.db2.gz QJGSBHLQZZYINF-KGLIPLIRSA-N 2 0 270.417 1.802 10 0 CDAERP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cn[nH]c2)C[C@H](C)O1 ZINC000749915768 576968224 /nfs/dbraw/zinc/96/82/24/576968224.db2.gz PTLHLUUNZKVDIP-BETUJISGSA-N 2 0 266.389 1.389 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)CCCC[NH+]1CCCC1 ZINC000756932720 577015248 /nfs/dbraw/zinc/01/52/48/577015248.db2.gz DNBHEHJROMMGCB-OAHLLOKOSA-N 2 0 281.444 1.805 10 0 CDAERP COC(=O)[C@@H]1C[NH2+]CC12CC(C)(C)[NH2+]C(C)(C)C2 ZINC000757184849 577034120 /nfs/dbraw/zinc/03/41/20/577034120.db2.gz MKCSEPMZDYQQIW-JTQLQIEISA-N 2 0 254.374 1.306 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@H]([C@@H]2CC[NH2+][C@@H](C)C2)[NH2+]C1 ZINC000757210070 577035809 /nfs/dbraw/zinc/03/58/09/577035809.db2.gz AHKQZOUHOPGIHV-UMSGYPCISA-N 2 0 254.374 1.306 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCCCCF)C1 ZINC001690035373 1175353413 /nfs/dbraw/zinc/35/34/13/1175353413.db2.gz SHSNHMGRCAZGKT-LSDHHAIUSA-N 2 0 299.434 1.801 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925510148 617405979 /nfs/dbraw/zinc/40/59/79/617405979.db2.gz SRGXRBASDAEXEU-MELADBBJSA-N 2 0 253.434 1.966 10 0 CDAERP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1cnn(C)c1 ZINC000925519462 617430326 /nfs/dbraw/zinc/43/03/26/617430326.db2.gz CSAXFNBYFWWBOF-UHTWSYAYSA-N 2 0 250.390 1.977 10 0 CDAERP C[N@@H+]1CC[C@@](O)(CN[C@H](c2ccccn2)C2CCC2)C1 ZINC000926173194 617442239 /nfs/dbraw/zinc/44/22/39/617442239.db2.gz IWRRKDUTOZHKPT-JKSUJKDBSA-N 2 0 275.396 1.579 10 0 CDAERP COC1CC[NH+](C(C)(C)CN[C@@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925559367 617510386 /nfs/dbraw/zinc/51/03/86/617510386.db2.gz XTGNKQMKTYCSRG-LSDHHAIUSA-N 2 0 295.471 1.735 10 0 CDAERP CC1(C)[C@@H]([NH2+]CCOC[C@@H]2CCOC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925567111 617515539 /nfs/dbraw/zinc/51/55/39/617515539.db2.gz NKHQHIHMOSJPJY-KBXIAJHMSA-N 2 0 282.428 1.406 10 0 CDAERP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccns1 ZINC000926204432 617519635 /nfs/dbraw/zinc/51/96/35/617519635.db2.gz VJKQPIPWSWGPKW-STQMWFEESA-N 2 0 282.457 1.820 10 0 CDAERP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1CC[C@@H](CO)CC1)[NH2+]2 ZINC000925606154 617548899 /nfs/dbraw/zinc/54/88/99/617548899.db2.gz HMCRUVXYHNANIE-UJOWSUJOSA-N 2 0 252.402 1.656 10 0 CDAERP C[C@H]1CCC[N@@H+]1CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000811172377 617959806 /nfs/dbraw/zinc/95/98/06/617959806.db2.gz VRBFWPMEISFZOR-XJKSGUPXSA-N 2 0 299.434 1.799 10 0 CDAERP CC1(C)C[C@@H]([NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)C[C@@H]([NH3+])C1 ZINC000925726415 617960849 /nfs/dbraw/zinc/96/08/49/617960849.db2.gz SMQUZHYHSAJEDW-IQGPVAMUSA-N 2 0 264.413 1.905 10 0 CDAERP CC(C)C[C@H]([NH2+][C@H]1CC[C@H]1C)C(=O)NCC[NH+](C)C ZINC000783279509 617591966 /nfs/dbraw/zinc/59/19/66/617591966.db2.gz KOSQPYAPOAQZCZ-RDBSUJKOSA-N 2 0 269.433 1.467 10 0 CDAERP C[N@@H+]1C[C@@H]2CN(CCOC3CCSCC3)C[C@]2(C)C1 ZINC000933733369 617599079 /nfs/dbraw/zinc/59/90/79/617599079.db2.gz RHOYAPVMMRGJPF-HIFRSBDPSA-N 2 0 284.469 1.782 10 0 CDAERP FCC1(C[NH2+][C@H]2CC[NH2+]C23CCC3)CCOCC1 ZINC000925683070 617663756 /nfs/dbraw/zinc/66/37/56/617663756.db2.gz KESOACNQIJUJFX-LBPRGKRZSA-N 2 0 256.365 1.627 10 0 CDAERP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCO[C@H]1CCOC1 ZINC000931765037 617720339 /nfs/dbraw/zinc/72/03/39/617720339.db2.gz UZYDPIOHQZLNHU-ZBFHGGJFSA-N 2 0 291.395 1.398 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H](c1nccn1C)C1CC1 ZINC000925799452 617730366 /nfs/dbraw/zinc/73/03/66/617730366.db2.gz VBKGILWIPMTXLA-BNOWGMLFSA-N 2 0 262.401 1.706 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCCCS(C)(=O)=O)C1 ZINC000925706147 617790180 /nfs/dbraw/zinc/79/01/80/617790180.db2.gz MELDSYUARQMNRG-VXGBXAGGSA-N 2 0 276.446 1.307 10 0 CDAERP C[C@H](N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)[C@@H]1CCC[NH2+]1 ZINC000925824801 617803219 /nfs/dbraw/zinc/80/32/19/617803219.db2.gz CLDUPHWHZOXHEV-XUXIUFHCSA-N 2 0 269.458 1.296 10 0 CDAERP C[C@H](CC1CC1)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925842966 617875957 /nfs/dbraw/zinc/87/59/57/617875957.db2.gz CRKJDLPTHCIWPI-CQSZACIVSA-N 2 0 253.434 1.840 10 0 CDAERP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925848906 617886101 /nfs/dbraw/zinc/88/61/01/617886101.db2.gz GDLDGDYAJHNSIB-HZSPNIEDSA-N 2 0 280.412 1.696 10 0 CDAERP CC1(C)CCC[C@H]1[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925855100 617893409 /nfs/dbraw/zinc/89/34/09/617893409.db2.gz OHOLSFJCKDFAOL-QWHCGFSZSA-N 2 0 280.412 1.840 10 0 CDAERP CN(CC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)CC(F)F ZINC000925726153 617956442 /nfs/dbraw/zinc/95/64/42/617956442.db2.gz ZTAAIMVKXRTMSN-KBPBESRZSA-N 2 0 289.414 1.941 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@@H](C)C[C@H]2CCC(=O)N2)CC1 ZINC000924956407 618397672 /nfs/dbraw/zinc/39/76/72/618397672.db2.gz WDINIWWIUPKSNI-DZGCQCFKSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cc(O)cc(F)c1 ZINC000925112475 619330641 /nfs/dbraw/zinc/33/06/41/619330641.db2.gz GHFIKEJNJQCKOT-NSHDSACASA-N 2 0 282.359 1.639 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)CC1 ZINC000925119529 619381040 /nfs/dbraw/zinc/38/10/40/619381040.db2.gz YFTFNXUIQJUXAA-MJBXVCDLSA-N 2 0 250.386 1.387 10 0 CDAERP COC(=O)[C@@H]1[C@H](C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)C1(F)F ZINC000895392401 619626941 /nfs/dbraw/zinc/62/69/41/619626941.db2.gz PHTSVLVQSHVNOU-SRVKXCTJSA-N 2 0 290.354 1.362 10 0 CDAERP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1[C@@H](C)COC[C@H]1C ZINC000925241214 620610197 /nfs/dbraw/zinc/61/01/97/620610197.db2.gz NTTCUPJBIJWGCY-LJISPDSOSA-N 2 0 272.433 1.604 10 0 CDAERP CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC000897799618 621128060 /nfs/dbraw/zinc/12/80/60/621128060.db2.gz OKSAIKRHVNGHAG-HIFRSBDPSA-N 2 0 267.417 1.317 10 0 CDAERP CN(C)c1ccc(C[NH2+]C2[C@@H]3CC[C@H]2C[N@@H+](C)C3)cn1 ZINC000924637752 621621857 /nfs/dbraw/zinc/62/18/57/621621857.db2.gz DMKWHLKEPVUROB-MZBDJJRSSA-N 2 0 274.412 1.577 10 0 CDAERP C[NH+](C)CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000899920136 622529982 /nfs/dbraw/zinc/52/99/82/622529982.db2.gz KYEWBYZJVUTMRR-OLZOCXBDSA-N 2 0 253.390 1.071 10 0 CDAERP O=C(NCCC[NH+]1CCCCC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000899991593 622608525 /nfs/dbraw/zinc/60/85/25/622608525.db2.gz SNQNEQMWVUXFKZ-HOTGVXAUSA-N 2 0 293.455 1.996 10 0 CDAERP C[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)C1CCCCC1 ZINC000900106209 622716859 /nfs/dbraw/zinc/71/68/59/622716859.db2.gz GJEPCFRNBUQAFE-UHFFFAOYSA-N 2 0 293.455 1.853 10 0 CDAERP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000900339170 622887058 /nfs/dbraw/zinc/88/70/58/622887058.db2.gz MWDMOXFLYBEUPU-CQSZACIVSA-N 2 0 293.455 1.709 10 0 CDAERP C[NH+](C)CC[C@@H](NC(=O)C12CC[NH+](CC1)C2)C(C)(C)C ZINC000900736859 623434380 /nfs/dbraw/zinc/43/43/80/623434380.db2.gz XJEOJSDJSGUKBV-CYBMUJFWSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H](C[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C[NH+](C)C ZINC000902998466 625761627 /nfs/dbraw/zinc/76/16/27/625761627.db2.gz DKARIUUWURYGTL-GXYBRJDSSA-N 2 0 252.402 1.587 10 0 CDAERP C[C@H]1[C@@H](NC2CC[NH+](C(C)(C)C)CC2)CC[N@@H+]1C ZINC000903302180 625960621 /nfs/dbraw/zinc/96/06/21/625960621.db2.gz ZJLRROQYUTYRTK-JSGCOSHPSA-N 2 0 253.434 1.932 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCCC[C@H]2[C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000903460449 625995493 /nfs/dbraw/zinc/99/54/93/625995493.db2.gz CTKRADDFJUEMQD-CQJMVSDSSA-N 3 0 281.444 1.475 10 0 CDAERP Cn1nccc1[C@H]1CCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000903566627 626021653 /nfs/dbraw/zinc/02/16/53/626021653.db2.gz WRXYWVAXBIQHBH-UKRRQHHQSA-N 2 0 262.401 1.947 10 0 CDAERP C([C@H]1CNCCO1)[N@@H+]1CCCSC[C@H]1C1CC1 ZINC000903826931 626104994 /nfs/dbraw/zinc/10/49/94/626104994.db2.gz OETGRVDGYOVCDY-OLZOCXBDSA-N 2 0 256.415 1.192 10 0 CDAERP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)[N@@H+]1CCCSC[C@@H]1C1CC1 ZINC000903827447 626105436 /nfs/dbraw/zinc/10/54/36/626105436.db2.gz SYGZATARKNRDQY-OAGGEKHMSA-N 2 0 296.480 1.973 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])CN(C)CC[C@H]([NH3+])C(C)C)cnn1C ZINC000903874011 626127917 /nfs/dbraw/zinc/12/79/17/626127917.db2.gz QKPQZOFEUBRZSQ-HOCLYGCPSA-N 2 0 295.475 1.151 10 0 CDAERP CC[N@H+](C[C@@H](C[NH3+])Cc1cnn(C)c1C)C[C@H]1CCOC1 ZINC000903883979 626132370 /nfs/dbraw/zinc/13/23/70/626132370.db2.gz NOLTWWVJRZZZCL-HUUCEWRRSA-N 2 0 294.443 1.204 10 0 CDAERP COC(=O)C[C@@H]1CSCC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903894966 626135886 /nfs/dbraw/zinc/13/58/86/626135886.db2.gz IXNFDOIQTKIGAX-WTUNAVPPSA-N 2 0 298.452 1.498 10 0 CDAERP COc1ccccc1[C@@H]1C[NH2+]CCN1C[C@@H]([NH3+])CC(F)F ZINC000903906606 626141283 /nfs/dbraw/zinc/14/12/83/626141283.db2.gz WLOSGNYZGNGVHP-AAEUAGOBSA-N 2 0 299.365 1.624 10 0 CDAERP C[C@H]1CCSCC[N@@H+]1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903908596 626142102 /nfs/dbraw/zinc/14/21/02/626142102.db2.gz LQSVBBWIWKYEKL-STQMWFEESA-N 2 0 295.456 1.530 10 0 CDAERP COC(=O)[C@]1(C)CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903929856 626150236 /nfs/dbraw/zinc/15/02/36/626150236.db2.gz MXWYBAJTHXVNHI-NQKGRLOXSA-N 2 0 280.412 1.792 10 0 CDAERP [NH3+]C[C@@H]1CN(C[C@H]([NH3+])CC(F)F)C[C@H]1C(F)(F)F ZINC000903937845 626155962 /nfs/dbraw/zinc/15/59/62/626155962.db2.gz SMCLDJFQHQNUOJ-BWZBUEFSSA-N 2 0 275.265 1.038 10 0 CDAERP [NH3+][C@@H](CC(F)F)CN1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903960194 626160015 /nfs/dbraw/zinc/16/00/15/626160015.db2.gz YRVOOQVUPVEJDH-AAEUAGOBSA-N 2 0 261.360 1.435 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cn(C)nc1-c1ccncc1 ZINC000903975085 626169570 /nfs/dbraw/zinc/16/95/70/626169570.db2.gz WSWZNWOYUPRLKE-UKRRQHHQSA-N 2 0 299.422 1.817 10 0 CDAERP C[C@@H]1C[N@H+](Cc2cccc3c2OCO3)C[C@H]1CC[NH3+] ZINC000903977774 626170059 /nfs/dbraw/zinc/17/00/59/626170059.db2.gz YYCNKGCZRIJOPB-VXGBXAGGSA-N 2 0 262.353 1.832 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)C[C@H]1C ZINC000903963545 626171070 /nfs/dbraw/zinc/17/10/70/626171070.db2.gz ARDXOYJFRLLIIR-RKQHYHRCSA-N 2 0 268.401 1.552 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)C[C@H]1C ZINC000903968233 626172718 /nfs/dbraw/zinc/17/27/18/626172718.db2.gz RWLWHPOBVPMTCK-NIFZNCRKSA-N 2 0 282.428 1.799 10 0 CDAERP COC(=O)C[C@@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)C[C@H]1C ZINC000903986576 626174231 /nfs/dbraw/zinc/17/42/31/626174231.db2.gz MLBPJQMJUYLIOU-BZPMIXESSA-N 2 0 254.374 1.117 10 0 CDAERP c1ccc2c(c1)cncc2CN1CC[NH2+]CC[NH2+]CC1 ZINC000904396730 626273612 /nfs/dbraw/zinc/27/36/12/626273612.db2.gz OFCYTZVDBVOBPN-UHFFFAOYSA-N 2 0 270.380 1.230 10 0 CDAERP c1cc2c(c(C[N@@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)c1)NCC2 ZINC000904420286 626294841 /nfs/dbraw/zinc/29/48/41/626294841.db2.gz JNFAPJUBNZLZJU-DZGCQCFKSA-N 2 0 257.381 1.696 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])NC[C@@H]2CCCS2)C1 ZINC000905041932 626381448 /nfs/dbraw/zinc/38/14/48/626381448.db2.gz LOAPOTLVOZBVSI-STQMWFEESA-N 2 0 284.473 1.728 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=[NH2+])NC[C@@H]2CCCS2)C1 ZINC000905043872 626382876 /nfs/dbraw/zinc/38/28/76/626382876.db2.gz ZYUDJMMDRGGDEL-NEPJUHHUSA-N 2 0 270.446 1.338 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](CNC(=[NH2+])NC[C@H]2CCCS2)C1 ZINC000905049322 626386273 /nfs/dbraw/zinc/38/62/73/626386273.db2.gz QRWJCZLQELJINL-UONOGXRCSA-N 2 0 298.500 1.974 10 0 CDAERP CC[N@@H+]1CC[C@H]1CNC(=S)NC[C@H]1CCC[NH+]1CC ZINC000905547379 626855059 /nfs/dbraw/zinc/85/50/59/626855059.db2.gz CFOCMOBEJXGVHC-OLZOCXBDSA-N 2 0 284.473 1.029 10 0 CDAERP CCN1CCN(C(=O)C(C)(C)n2cnc(C)c2)[C@H](C)C1 ZINC000908141322 628043160 /nfs/dbraw/zinc/04/31/60/628043160.db2.gz VCARTYCVZWVHSC-CYBMUJFWSA-N 2 0 278.400 1.479 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC000908256106 628082131 /nfs/dbraw/zinc/08/21/31/628082131.db2.gz DROCXCYNBRNWFA-ZNMIVQPWSA-N 2 0 281.444 1.848 10 0 CDAERP C[N@@H+]1C[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)[C@@H]2C1 ZINC000908345672 628146170 /nfs/dbraw/zinc/14/61/70/628146170.db2.gz FEOQMWUUNBWAQE-ZIAGYGMSSA-N 2 0 279.428 1.413 10 0 CDAERP C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)[C@@H]1CCC[N@@H+]1C ZINC000912649166 630126532 /nfs/dbraw/zinc/12/65/32/630126532.db2.gz PRUDPIBLKIVYSF-KKUMJFAQSA-N 2 0 281.444 1.802 10 0 CDAERP C[NH+]1C[C@@]2(C)CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC000913273895 630426801 /nfs/dbraw/zinc/42/68/01/630426801.db2.gz ICVXJIBEYQLPCC-KBMXLJTQSA-N 2 0 279.428 1.128 10 0 CDAERP C[C@H](C1CC1)[NH+]1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000930071388 632572948 /nfs/dbraw/zinc/57/29/48/632572948.db2.gz GQLDXQJVTCUICH-RISCZKNCSA-N 2 0 265.401 1.199 10 0 CDAERP CC(C)=CC[N@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001690996704 1158518592 /nfs/dbraw/zinc/51/85/92/1158518592.db2.gz PZQSHAZEKOTOBG-UHFFFAOYSA-N 2 0 253.390 1.096 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001670686515 1158692477 /nfs/dbraw/zinc/69/24/77/1158692477.db2.gz GTECZKLLCZMFTE-DWTRPJMMSA-N 2 0 293.455 1.875 10 0 CDAERP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)[C@H](C)O ZINC000808424848 1162849566 /nfs/dbraw/zinc/84/95/66/1162849566.db2.gz BAJBNNCYEDEPBJ-OLZOCXBDSA-N 2 0 266.385 1.486 10 0 CDAERP C([C@H]1CCCOC1)[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001772538591 1158810551 /nfs/dbraw/zinc/81/05/51/1158810551.db2.gz WUEKVLCAUHKQNK-CQSZACIVSA-N 2 0 282.428 1.646 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CCC2CC2)CC[N@@H+]1C ZINC001267955928 1159625940 /nfs/dbraw/zinc/62/59/40/1159625940.db2.gz NCYJGRCVRHTHNN-FVQBIDKESA-N 2 0 293.455 1.707 10 0 CDAERP CCC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001732201802 1159750076 /nfs/dbraw/zinc/75/00/76/1159750076.db2.gz QNFGYGDPMIGADO-UONOGXRCSA-N 2 0 269.433 1.755 10 0 CDAERP C[C@@H](C[NH2+]CCCF)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001482330711 1160154491 /nfs/dbraw/zinc/15/44/91/1160154491.db2.gz LLANZVKZWDBAJG-STQMWFEESA-N 2 0 273.396 1.124 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000354140915 1160595707 /nfs/dbraw/zinc/59/57/07/1160595707.db2.gz WGBAEFLYUIQNGI-STQMWFEESA-N 2 0 255.406 1.173 10 0 CDAERP CCCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001732486233 1160622808 /nfs/dbraw/zinc/62/28/08/1160622808.db2.gz KDUWPMWCTFEPSK-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H](CC[NH2+]CCC1CC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482890320 1160640946 /nfs/dbraw/zinc/64/09/46/1160640946.db2.gz PDDKHQPNEZHCAA-ZFWWWQNUSA-N 2 0 281.444 1.613 10 0 CDAERP C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[NH+]3C(C)(C)C)C[C@@]2(C)C1 ZINC000864077761 1164506149 /nfs/dbraw/zinc/50/61/49/1164506149.db2.gz QLDAYCQWSJWRKI-XYPHTWIQSA-N 2 0 293.455 1.659 10 0 CDAERP CC[C@H]1CCN(C(=[NH2+])NCC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000864467549 1164549663 /nfs/dbraw/zinc/54/96/63/1164549663.db2.gz ZADXIZDXAGMLJI-KBPBESRZSA-N 2 0 266.433 1.975 10 0 CDAERP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cn(C2CC2)cn1 ZINC000865487677 1164653207 /nfs/dbraw/zinc/65/32/07/1164653207.db2.gz NBWGWZZSBJBMBM-HNNXBMFYSA-N 2 0 280.416 1.664 10 0 CDAERP CC(C)[NH+]1CCC(CC[NH2+]C2CCN(C(N)=O)CC2)CC1 ZINC000865716910 1164684763 /nfs/dbraw/zinc/68/47/63/1164684763.db2.gz HZEZWWYDNDIIQO-UHFFFAOYSA-N 2 0 296.459 1.630 10 0 CDAERP Cc1cc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)nc(C)n1 ZINC000866012743 1164721927 /nfs/dbraw/zinc/72/19/27/1164721927.db2.gz PGQFTIHWDLSIKI-HUUCEWRRSA-N 2 0 291.443 1.269 10 0 CDAERP C[NH+]1CCN(CCC[NH2+][C@H](C2CCC2)[C@H]2CCCO2)CC1 ZINC000866219557 1164753389 /nfs/dbraw/zinc/75/33/89/1164753389.db2.gz RYZNPLFGXFTXKZ-IAGOWNOFSA-N 2 0 295.471 1.561 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+][C@H](C2CCC2)[C@@H]2CCCO2)CC1 ZINC000866269158 1164760555 /nfs/dbraw/zinc/76/05/55/1164760555.db2.gz BPVXYBJXWFGVEW-LSDHHAIUSA-N 2 0 282.428 1.380 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2ccnc(N)c2)C1 ZINC000866707075 1164814205 /nfs/dbraw/zinc/81/42/05/1164814205.db2.gz LQJJSQVHBPBFQZ-HNNXBMFYSA-N 2 0 262.401 1.861 10 0 CDAERP CC(C)[NH+]1CCN(CCCN2CCC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC000866724729 1164814777 /nfs/dbraw/zinc/81/47/77/1164814777.db2.gz OJFZFDNNMAKXGM-SJORKVTESA-N 2 0 294.487 1.229 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)CCC23CC(C2)C[NH2+]3)C1 ZINC000870905030 1165230662 /nfs/dbraw/zinc/23/06/62/1165230662.db2.gz HUGZDVKAXWVCOZ-HPUBIQBYSA-N 2 0 293.455 1.613 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)CCC12CC(C1)C[NH2+]2 ZINC000870910899 1165231966 /nfs/dbraw/zinc/23/19/66/1165231966.db2.gz VQSDRFRQPHBEQO-UHFFFAOYSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)CCC23CC(C2)C[NH2+]3)C[N@@H+]1C1CC1 ZINC000870928354 1165234998 /nfs/dbraw/zinc/23/49/98/1165234998.db2.gz FDWLYBGTCFIMLQ-ISGSLZAZSA-N 2 0 277.412 1.260 10 0 CDAERP CN1Cc2ccccc2[C@@H]1CNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000870979553 1165246099 /nfs/dbraw/zinc/24/60/99/1165246099.db2.gz OQAHANVDNWGLPP-BBRMVZONSA-N 2 0 287.407 1.679 10 0 CDAERP CN1Cc2ccccc2[C@H]1CNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870979185 1165247052 /nfs/dbraw/zinc/24/70/52/1165247052.db2.gz HZLQVQNMLHSPLA-CRPOECCBSA-N 2 0 299.418 1.822 10 0 CDAERP CC(C)[C@H]1CN(C(=O)CC[NH2+]CC2CC2)CC[N@@H+]1C ZINC000870983753 1165248981 /nfs/dbraw/zinc/24/89/81/1165248981.db2.gz ZTRALDOLGUOUFU-CQSZACIVSA-N 2 0 267.417 1.175 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000870993737 1165250184 /nfs/dbraw/zinc/25/01/84/1165250184.db2.gz LLHILIUHXJLTHC-ZOWXZIJZSA-N 2 0 267.417 1.208 10 0 CDAERP CC(C)OC[C@H](O)C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000871964926 1165367650 /nfs/dbraw/zinc/36/76/50/1165367650.db2.gz HGEAJFYSFUXTIU-CYBMUJFWSA-N 2 0 272.433 1.671 10 0 CDAERP CC[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)[C@H]1CCCOC1 ZINC000872068855 1165376703 /nfs/dbraw/zinc/37/67/03/1165376703.db2.gz JCSOTJDZDJAXRU-JKSUJKDBSA-N 2 0 297.487 1.807 10 0 CDAERP [NH3+]C1(C[NH2+]C[C@@H]2CC3(CO2)CCOCC3)CCC1 ZINC000872142680 1165383771 /nfs/dbraw/zinc/38/37/71/1165383771.db2.gz AIWRABABRZBFPG-LBPRGKRZSA-N 2 0 254.374 1.043 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)CCCCCC[NH3+])C2 ZINC000872267701 1165406215 /nfs/dbraw/zinc/40/62/15/1165406215.db2.gz DMOPKKXLECPNNM-GASCZTMLSA-N 2 0 267.417 1.354 10 0 CDAERP CN(C[C@H](O)C[N@@H+]1CCC[C@@H](OC2CCC2)CC1)C1CC1 ZINC000872282658 1165410313 /nfs/dbraw/zinc/41/03/13/1165410313.db2.gz QITOURDFPBROCT-DOTOQJQBSA-N 2 0 296.455 1.865 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872306261 1165413987 /nfs/dbraw/zinc/41/39/87/1165413987.db2.gz CSUPHIWWJLRLBK-XUJVJEKNSA-N 2 0 267.417 1.350 10 0 CDAERP COCCSCCC[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001620628441 1165662687 /nfs/dbraw/zinc/66/26/87/1165662687.db2.gz NCMXBMBEEJJVNN-KGLIPLIRSA-N 2 0 272.458 1.640 10 0 CDAERP CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001672915452 1165918943 /nfs/dbraw/zinc/91/89/43/1165918943.db2.gz HRPLKBIYRCKZJN-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC001633949631 1166461046 /nfs/dbraw/zinc/46/10/46/1166461046.db2.gz KMAUAOBCCMOXIK-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@@H]1C[N@H+](C)CCCN1C(=O)[C@@H]1CCN1CC ZINC001634418013 1166498593 /nfs/dbraw/zinc/49/85/93/1166498593.db2.gz RQIRXVUKZBNBER-OLZOCXBDSA-N 2 0 253.390 1.023 10 0 CDAERP C[C@H]([NH3+])CN1C[C@H](C[C@H]2COCC[NH2+]2)c2ccccc21 ZINC001646280824 1167741905 /nfs/dbraw/zinc/74/19/05/1167741905.db2.gz ZJIFIJPLXNWEIZ-IHRRRGAJSA-N 2 0 275.396 1.316 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CC[C@@H]3C[NH+](C)C[C@H]23)C1 ZINC001649359559 1169237937 /nfs/dbraw/zinc/23/79/37/1169237937.db2.gz LIABHCGADJYTRF-FXUDXRNXSA-N 2 0 293.455 1.565 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCCCF)CC1 ZINC001569392754 1169846532 /nfs/dbraw/zinc/84/65/32/1169846532.db2.gz BQXOJMQTELCUTF-ZDUSSCGKSA-N 2 0 285.407 1.459 10 0 CDAERP CC[C@H](C)C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001569431394 1169879941 /nfs/dbraw/zinc/87/99/41/1169879941.db2.gz OSAHZXKGPMRJRH-ZDUSSCGKSA-N 2 0 267.417 1.367 10 0 CDAERP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C1([NH+](C)C)CCCC1 ZINC001570491416 1170170834 /nfs/dbraw/zinc/17/08/34/1170170834.db2.gz SXSWWWHOBIALGL-CYBMUJFWSA-N 2 0 267.417 1.413 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCCC[NH+](C)CCC2CC2)CC[N@@H+]1C ZINC001660277645 1172188518 /nfs/dbraw/zinc/18/85/18/1172188518.db2.gz JQGNRHKKFRVHTB-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CCC[C@H](C[NH2+]CCC2CC2)C1 ZINC001661842097 1172454034 /nfs/dbraw/zinc/45/40/34/1172454034.db2.gz KIXABGZZCFMQOA-MRXNPFEDSA-N 2 0 293.455 1.711 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001662244680 1172516076 /nfs/dbraw/zinc/51/60/76/1172516076.db2.gz QOYZVVZQJSLELZ-HUUCEWRRSA-N 2 0 281.444 1.921 10 0 CDAERP CC(C)C[NH2+][C@H](C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001662974402 1172622323 /nfs/dbraw/zinc/62/23/23/1172622323.db2.gz GXHYGXDVAMNNHK-ZIAGYGMSSA-N 2 0 269.433 1.469 10 0 CDAERP CO[C@H](C)C[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001668819960 1173469785 /nfs/dbraw/zinc/46/97/85/1173469785.db2.gz ABUXOFWLRXWUQV-XEVLESSRSA-N 2 0 297.443 1.156 10 0 CDAERP C[C@@H](C[NH2+]CC1CCCCC1)NC(=O)CC[NH+](C)C ZINC001669657437 1173582685 /nfs/dbraw/zinc/58/26/85/1173582685.db2.gz FNGOAJGLCOEAIC-ZDUSSCGKSA-N 2 0 269.433 1.613 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)NC2CC(C[NH2+]CCF)C2)C1 ZINC001674573659 1173964594 /nfs/dbraw/zinc/96/45/94/1173964594.db2.gz GCFCDVXXXFSCOZ-SLTAFYQDSA-N 2 0 299.434 1.562 10 0 CDAERP CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CCCF ZINC001698608341 1175478594 /nfs/dbraw/zinc/47/85/94/1175478594.db2.gz IOXQKINFRKRVKG-CYBMUJFWSA-N 2 0 287.423 1.705 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@](C)(C[NH2+]CCF)C2CC2)CC[N@@H+]1C ZINC001698673146 1175893075 /nfs/dbraw/zinc/89/30/75/1175893075.db2.gz KPZCGJJMHLXDAB-HEHGZKQESA-N 2 0 299.434 1.561 10 0 CDAERP C[C@H](C[NH2+]CC[C@@H]1CCCCO1)N(C)C(=O)CC[NH+](C)C ZINC001698845415 1175960808 /nfs/dbraw/zinc/96/08/08/1175960808.db2.gz XXOHJYDLNWJNCR-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+](C)CCCOC)CC[N@@H+]1C ZINC001698987585 1176014556 /nfs/dbraw/zinc/01/45/56/1176014556.db2.gz AFUOCKQXFSVNSZ-LSDHHAIUSA-N 2 0 299.459 1.143 10 0 CDAERP CC[C@@H](F)C[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001699294974 1176203842 /nfs/dbraw/zinc/20/38/42/1176203842.db2.gz DMRSFSRZJFYXPX-IRRAIKHBSA-N 2 0 299.434 1.727 10 0 CDAERP COCC[NH2+]C/C=C\CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001699327150 1176242817 /nfs/dbraw/zinc/24/28/17/1176242817.db2.gz DVJLKKDGYCCOOI-PLNGDYQASA-N 2 0 297.443 1.015 10 0 CDAERP CCC[NH2+]C[C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001699422247 1176385159 /nfs/dbraw/zinc/38/51/59/1176385159.db2.gz YROODJBWVLANLE-UONOGXRCSA-N 2 0 269.433 1.755 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@@](C)(C[NH2+]CCF)C2)CC[N@@H+]1C ZINC001699837066 1176651218 /nfs/dbraw/zinc/65/12/18/1176651218.db2.gz KKDXQGAQCYUOGU-LZWOXQAQSA-N 2 0 299.434 1.514 10 0 CDAERP CCC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001699963323 1176694169 /nfs/dbraw/zinc/69/41/69/1176694169.db2.gz MQWQNSCHBZQDHA-UONOGXRCSA-N 2 0 269.433 1.422 10 0 CDAERP COCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]1C ZINC001700323748 1176851875 /nfs/dbraw/zinc/85/18/75/1176851875.db2.gz LORSRJHBAHMWCN-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC2CC(C[NH2+]CCCF)C2)CC[N@@H+]1C ZINC001700373390 1176881379 /nfs/dbraw/zinc/88/13/79/1176881379.db2.gz NPTRGMYCWGQXTC-PFSRBDOWSA-N 2 0 299.434 1.561 10 0 CDAERP CC[N@@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001700566767 1177016472 /nfs/dbraw/zinc/01/64/72/1177016472.db2.gz GJMYLQNBEHBKIW-LBPRGKRZSA-N 2 0 267.417 1.317 10 0 CDAERP CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)CC(C)(C)C1 ZINC001707280499 1177990361 /nfs/dbraw/zinc/99/03/61/1177990361.db2.gz JVQOUICABATQGU-ZDUSSCGKSA-N 2 0 269.433 1.565 10 0 CDAERP CCC[NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001713149894 1178396907 /nfs/dbraw/zinc/39/69/07/1178396907.db2.gz ZYQGOAPYNSPLRG-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP Cc1cc(C[NH2+]CCN(C)C(=O)[C@H]2CCC[N@@H+]2C)sn1 ZINC001713577817 1178663759 /nfs/dbraw/zinc/66/37/59/1178663759.db2.gz GWIWNHNKVXDHHT-CYBMUJFWSA-N 2 0 296.440 1.094 10 0 CDAERP CC/C=C\CC[NH2+]CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001713592488 1178673842 /nfs/dbraw/zinc/67/38/42/1178673842.db2.gz WUDVYQXWKNCWDF-AWFCHZOYSA-N 2 0 293.455 1.733 10 0 CDAERP CCC[N@H+](C)CC(=O)NCC1C[NH+](C[C@H](C)CC)C1 ZINC001713924034 1178851391 /nfs/dbraw/zinc/85/13/91/1178851391.db2.gz XREKWKCZSPFFCK-CYBMUJFWSA-N 2 0 269.433 1.422 10 0 CDAERP CCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001713939637 1178865669 /nfs/dbraw/zinc/86/56/69/1178865669.db2.gz LRRXEGUYPYIRCS-PMPSAXMXSA-N 2 0 293.455 1.804 10 0 CDAERP CCC/C=C\CC[NH2+]CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001714787669 1179397640 /nfs/dbraw/zinc/39/76/40/1179397640.db2.gz WNCVRYCUYRSXHL-WAYWQWQTSA-N 2 0 293.455 1.877 10 0 CDAERP C[N@H+](CC(=O)N1CCC(CC[NH2+]CCF)CC1)C1CCC1 ZINC001715169890 1179568887 /nfs/dbraw/zinc/56/88/87/1179568887.db2.gz JGJYXSRJKWKFAW-UHFFFAOYSA-N 2 0 299.434 1.659 10 0 CDAERP CC[C@@H](F)C[NH2+]CCN(CC)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001715765734 1179796756 /nfs/dbraw/zinc/79/67/56/1179796756.db2.gz AKZAYIOXFPMUQM-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@H](C[NH2+]CCCC1CCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001715961600 1179943445 /nfs/dbraw/zinc/94/34/45/1179943445.db2.gz PLTJZGBZKDRGIK-UKRRQHHQSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@@H](C[NH2+]C/C=C/Cl)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001715975667 1179957106 /nfs/dbraw/zinc/95/71/06/1179957106.db2.gz FPQWNIYXMIRBEP-RQYGPVJOSA-N 2 0 285.819 1.175 10 0 CDAERP Cc1conc1C[NH2+]CC[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001716196026 1180091616 /nfs/dbraw/zinc/09/16/16/1180091616.db2.gz NVVLYWCLOOMGJV-CYBMUJFWSA-N 2 0 294.399 1.063 10 0 CDAERP CCN(CC[NH2+]C[C@@H](C)OC)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001716235112 1180114288 /nfs/dbraw/zinc/11/42/88/1180114288.db2.gz AKEHVFWUVAPTGD-ZNMIVQPWSA-N 2 0 299.459 1.190 10 0 CDAERP CCC/C=C/CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001716432337 1180205181 /nfs/dbraw/zinc/20/51/81/1180205181.db2.gz YQHVYKDQLAYQTO-KXLSMFKISA-N 2 0 281.444 1.921 10 0 CDAERP CN(CCC[NH2+]C/C(Cl)=C/Cl)C(=O)CC[NH+](C)C ZINC001716564661 1180285259 /nfs/dbraw/zinc/28/52/59/1180285259.db2.gz DUHVFLOUBRERLK-LUAWRHEFSA-N 2 0 296.242 1.695 10 0 CDAERP CCC[N@@H+]1CC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001716653105 1180340394 /nfs/dbraw/zinc/34/03/94/1180340394.db2.gz AXIGDQYNNWGNKV-UONOGXRCSA-N 2 0 267.417 1.461 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1C(=O)NCCC[NH+]1CCCCCC1 ZINC000163611364 1180515268 /nfs/dbraw/zinc/51/52/68/1180515268.db2.gz VJXSQXCWNBUABW-HUUCEWRRSA-N 2 0 281.444 1.886 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H](CC[NH2+]CC3CC3)C2)C1 ZINC001717106453 1180532459 /nfs/dbraw/zinc/53/24/59/1180532459.db2.gz PBOSNMSEAUWUMZ-HOTGVXAUSA-N 2 0 293.455 1.566 10 0 CDAERP CCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001717471728 1180692382 /nfs/dbraw/zinc/69/23/82/1180692382.db2.gz DSISNWVMTDMAPH-ZIAGYGMSSA-N 2 0 269.433 1.706 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)CC[C@H](C)F ZINC001717486916 1180702919 /nfs/dbraw/zinc/70/29/19/1180702919.db2.gz MHVAIKLIYSJVKP-NWDGAFQWSA-N 2 0 261.385 1.123 10 0 CDAERP CC(C)C[NH2+]CCC[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001717691815 1180792151 /nfs/dbraw/zinc/79/21/51/1180792151.db2.gz JZKCJFRTNBITEH-HUUCEWRRSA-N 2 0 283.460 1.859 10 0 CDAERP CCCC[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC001717889987 1180915153 /nfs/dbraw/zinc/91/51/53/1180915153.db2.gz JRNWBIUCNMTRCL-KBPBESRZSA-N 2 0 281.444 1.707 10 0 CDAERP CCCC[N@@H+]1CC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001723473147 1181571787 /nfs/dbraw/zinc/57/17/87/1181571787.db2.gz NBOOIEKNQQPQQX-KBPBESRZSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)NCC2([NH2+]CCCF)CC2)CC1 ZINC001723576455 1181588788 /nfs/dbraw/zinc/58/87/88/1181588788.db2.gz DGEDYAJTCAYCKO-UHFFFAOYSA-N 2 0 299.434 1.705 10 0 CDAERP CCC[NH2+]C[C@@]1(C)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001724269468 1181659112 /nfs/dbraw/zinc/65/91/12/1181659112.db2.gz XOLQOLSRPNXNED-OAHLLOKOSA-N 2 0 267.417 1.320 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCCC[N@H+](C)CCF)C1 ZINC001731278097 1182291207 /nfs/dbraw/zinc/29/12/07/1182291207.db2.gz OOQGEXYVCSJVDH-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001731636677 1182494141 /nfs/dbraw/zinc/49/41/41/1182494141.db2.gz GXXCIWSUTAOUIL-ZDUSSCGKSA-N 2 0 253.390 1.143 10 0 CDAERP CCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001731739889 1182542499 /nfs/dbraw/zinc/54/24/99/1182542499.db2.gz JSAWOSCUYJEKJM-KGLIPLIRSA-N 2 0 269.433 1.755 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001731838545 1182618473 /nfs/dbraw/zinc/61/84/73/1182618473.db2.gz QBIHIYNVYMQGTI-AWEZNQCLSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)[N@H+](CCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001731885637 1182651752 /nfs/dbraw/zinc/65/17/52/1182651752.db2.gz SVAXDUSDSVJYTN-UHFFFAOYSA-N 2 0 253.390 1.071 10 0 CDAERP CCCC[NH2+]CCN(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001731946763 1182692514 /nfs/dbraw/zinc/69/25/14/1182692514.db2.gz ODRXZOBVPUHAIZ-UHFFFAOYSA-N 2 0 299.459 1.193 10 0 CDAERP CN(CC[NH2+]CC1CCC1)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001731973494 1182708840 /nfs/dbraw/zinc/70/88/40/1182708840.db2.gz BMPAKMHDHOKWEQ-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP CC/C=C/CC[NH+]1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001732135190 1182793258 /nfs/dbraw/zinc/79/32/58/1182793258.db2.gz WRIRITKERFPJPW-AATRIKPKSA-N 2 0 267.417 1.342 10 0 CDAERP C[C@@H](C[NH2+]CCC1CCCC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001732454624 1182973866 /nfs/dbraw/zinc/97/38/66/1182973866.db2.gz PDPYSQBWGWZXIZ-GOEBONIOSA-N 2 0 295.471 1.955 10 0 CDAERP COCCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001732544235 1183002918 /nfs/dbraw/zinc/00/29/18/1183002918.db2.gz OANFKJMNGDRIKV-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@@H](CC[NH2+]CC1CCCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001732755440 1183109611 /nfs/dbraw/zinc/10/96/11/1183109611.db2.gz YVMYRIDMEUIUQY-ZFWWWQNUSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@H](C)C[NH2+]C/C=C/CNC(=O)C12CCC[NH+]1CCC2 ZINC001732873575 1183166001 /nfs/dbraw/zinc/16/60/01/1183166001.db2.gz LWOLMBFOUGRMFE-RGDDUWESSA-N 2 0 293.455 1.923 10 0 CDAERP CC[C@@H](F)C[NH2+]C/C=C/CNC(=O)C1CC[NH+](C)CC1 ZINC001732895949 1183175373 /nfs/dbraw/zinc/17/53/73/1183175373.db2.gz WWNFFUALOCLWFJ-ISZGNANSSA-N 2 0 285.407 1.338 10 0 CDAERP CCC[NH2+]C/C=C\CNC(=O)[C@H](C)Cc1c[nH]cn1 ZINC001732909378 1183181302 /nfs/dbraw/zinc/18/13/02/1183181302.db2.gz MSPRDYQOPXPAPG-QMAVJUDZSA-N 2 0 264.373 1.260 10 0 CDAERP CCCCCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001733022353 1183242127 /nfs/dbraw/zinc/24/21/27/1183242127.db2.gz DGADBECCZRKQDD-UONOGXRCSA-N 2 0 269.433 1.613 10 0 CDAERP C[C@]1(NC(=O)C[NH+]2CCCC2)CC[N@H+](CC2CC2)C1 ZINC001733415530 1183425994 /nfs/dbraw/zinc/42/59/94/1183425994.db2.gz ZTHIHCMYJISKMF-HNNXBMFYSA-N 2 0 265.401 1.073 10 0 CDAERP CCCC[NH2+]CC[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001733673338 1183494483 /nfs/dbraw/zinc/49/44/83/1183494483.db2.gz QDUQPOVGIRPFIJ-JKSUJKDBSA-N 2 0 295.471 1.957 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@H](C)[NH2+]CC1CC1 ZINC001733998178 1183607235 /nfs/dbraw/zinc/60/72/35/1183607235.db2.gz ASCMEISTMHCJKI-NWDGAFQWSA-N 2 0 255.406 1.221 10 0 CDAERP O=C(N[C@H]1C[C@H](C[NH2+]CCF)C1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001734210533 1183692635 /nfs/dbraw/zinc/69/26/35/1183692635.db2.gz MBXZXFWOQUMTOZ-KBUPBQIOSA-N 2 0 297.418 1.457 10 0 CDAERP CC(C)[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001734323459 1183731046 /nfs/dbraw/zinc/73/10/46/1183731046.db2.gz QVVGCYWZIWJQAT-GXTWGEPZSA-N 2 0 267.417 1.173 10 0 CDAERP CC[NH2+][C@@H](C)CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001734330739 1183735647 /nfs/dbraw/zinc/73/56/47/1183735647.db2.gz QRAPNTAZWPWJKW-QWHCGFSZSA-N 2 0 255.406 1.317 10 0 CDAERP C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)[NH2+]CCCF ZINC001734339676 1183738765 /nfs/dbraw/zinc/73/87/65/1183738765.db2.gz OUDQNKDQPOKWDC-LBPRGKRZSA-N 2 0 273.396 1.124 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000438914610 1186801068 /nfs/dbraw/zinc/80/10/68/1186801068.db2.gz VCWSQXIGVOROKG-UKTARXLSSA-N 2 0 279.428 1.316 10 0 CDAERP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2[NH2+]CC[C@@H]3CCCC[C@@H]23)C1 ZINC000383700967 1187267219 /nfs/dbraw/zinc/26/72/19/1187267219.db2.gz CJMNYLOGXUGZLV-LXTVHRRPSA-N 2 0 279.428 1.223 10 0 CDAERP C[C@H](C[NH2+]CCF)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001321652717 959891770 /nfs/dbraw/zinc/89/17/70/959891770.db2.gz OXMQOXNUOFZOHX-LLVKDONJSA-N 2 0 261.385 1.028 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC001617913222 1165613905 /nfs/dbraw/zinc/61/39/05/1165613905.db2.gz MIFFRIPXMHHNCF-KBPBESRZSA-N 2 0 269.433 1.374 10 0 CDAERP CC[N@H+](C)CCCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001566491481 1168307296 /nfs/dbraw/zinc/30/72/96/1168307296.db2.gz YSPIIZBLMHMXFY-HNNXBMFYSA-N 2 0 287.423 1.657 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC001647243661 1168484393 /nfs/dbraw/zinc/48/43/93/1168484393.db2.gz NBIRQRNXVFBJFC-RBSFLKMASA-N 2 0 279.428 1.352 10 0 CDAERP CCCCC[N@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001266282615 894100830 /nfs/dbraw/zinc/10/08/30/894100830.db2.gz JWDAEANWCSBGGI-UHFFFAOYSA-N 2 0 269.433 1.709 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001266285138 894125472 /nfs/dbraw/zinc/12/54/72/894125472.db2.gz OEMHITAPDINWGO-CYBMUJFWSA-N 2 0 255.406 1.317 10 0 CDAERP CC(C)[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CC[C@@H](C)F ZINC001480865028 894157368 /nfs/dbraw/zinc/15/73/68/894157368.db2.gz YKZWEXHTDDZZEY-KGLIPLIRSA-N 2 0 287.423 1.655 10 0 CDAERP CCCCC[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001266480168 895027082 /nfs/dbraw/zinc/02/70/82/895027082.db2.gz LCNPTKFEUYBIHW-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCCF)C1 ZINC001266597881 895499953 /nfs/dbraw/zinc/49/99/53/895499953.db2.gz HSBFGLHRZJHTKL-IHRRRGAJSA-N 2 0 285.407 1.457 10 0 CDAERP CC[C@H](F)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001266699757 895857112 /nfs/dbraw/zinc/85/71/12/895857112.db2.gz NZKKZFGKAWCPTC-UONOGXRCSA-N 2 0 287.423 1.655 10 0 CDAERP CCC[NH2+][C@H]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001266734916 895942959 /nfs/dbraw/zinc/94/29/59/895942959.db2.gz CHTZITSNFLMPDL-GASCZTMLSA-N 2 0 281.444 1.899 10 0 CDAERP CC[C@@H](C)C[NH2+]CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001567524890 1168830322 /nfs/dbraw/zinc/83/03/22/1168830322.db2.gz LHEWAQFXLMXITL-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@@H](C(=O)N(C)CC[NH2+]Cc1cccc(F)c1)[NH+](C)C ZINC001266836425 896155647 /nfs/dbraw/zinc/15/56/47/896155647.db2.gz RFQDLRWDAHHCHJ-HNNXBMFYSA-N 2 0 295.402 1.714 10 0 CDAERP CCC[NH2+]C1CCC(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001266916670 896335861 /nfs/dbraw/zinc/33/58/61/896335861.db2.gz ANDBCEGCXQJDJD-UHFFFAOYSA-N 2 0 269.433 1.754 10 0 CDAERP CC(C)CCC[NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001567561022 1168857420 /nfs/dbraw/zinc/85/74/20/1168857420.db2.gz XKKAKDUZMKCUHA-HNNXBMFYSA-N 2 0 283.460 1.812 10 0 CDAERP CC(C)C[N@H+](C)CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001480950307 898091344 /nfs/dbraw/zinc/09/13/44/898091344.db2.gz GSNMNQHCZUCDKI-KBPBESRZSA-N 2 0 269.433 1.563 10 0 CDAERP CC[C@@H](C)C[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001567605305 1168884145 /nfs/dbraw/zinc/88/41/45/1168884145.db2.gz WKGXPLFTFBLSLG-OLZOCXBDSA-N 2 0 255.406 1.032 10 0 CDAERP CC(C)[N@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001481170186 899040640 /nfs/dbraw/zinc/04/06/40/899040640.db2.gz HFADLZJGQWAMPS-HNNXBMFYSA-N 2 0 279.428 1.317 10 0 CDAERP CC[C@@H](C)C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001481196680 899112731 /nfs/dbraw/zinc/11/27/31/899112731.db2.gz NJTROCJDPVDFCD-ZIAGYGMSSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@H](C[N@H+](C)C[C@@H]1CC(C)(C)CO1)NC(=O)CC[NH+](C)C ZINC001420614718 899642539 /nfs/dbraw/zinc/64/25/39/899642539.db2.gz HSLCDFAOWUJSFC-KGLIPLIRSA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC=C(C)C ZINC001267801208 899766186 /nfs/dbraw/zinc/76/61/86/899766186.db2.gz SAFMNWVZPIZHAS-KGLIPLIRSA-N 2 0 267.417 1.531 10 0 CDAERP CCOCCC[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001481271304 899800068 /nfs/dbraw/zinc/80/00/68/899800068.db2.gz BNQYFQRTDYPTHN-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@@H](C)C[NH+]1CC(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001481638434 901572720 /nfs/dbraw/zinc/57/27/20/901572720.db2.gz LUJHEFLQLDJFMB-CQSZACIVSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCN(C)C(=O)CC[NH+](C)C ZINC001268247875 901666180 /nfs/dbraw/zinc/66/61/80/901666180.db2.gz VPZCBXVMMZIUNH-GFCCVEGCSA-N 2 0 261.385 1.076 10 0 CDAERP CC[NH2+]CC[C@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001268372363 901951175 /nfs/dbraw/zinc/95/11/75/901951175.db2.gz XMCPZBLIAVFQNM-NSHDSACASA-N 2 0 283.441 1.928 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001481728646 901958705 /nfs/dbraw/zinc/95/87/05/901958705.db2.gz YTLOMHJKBSIJKY-UONOGXRCSA-N 2 0 267.417 1.413 10 0 CDAERP Cc1conc1C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268393673 901987154 /nfs/dbraw/zinc/98/71/54/901987154.db2.gz WIIVHJWANQUIIG-GXTWGEPZSA-N 2 0 294.399 1.062 10 0 CDAERP CC(C)=CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001268424462 902039785 /nfs/dbraw/zinc/03/97/85/902039785.db2.gz VEXZDRIDCJDNQL-KGLIPLIRSA-N 2 0 267.417 1.389 10 0 CDAERP CCCCC[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268471601 902255528 /nfs/dbraw/zinc/25/55/28/902255528.db2.gz RGVXKWZCDFGMFG-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP CC/C=C\CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001498021003 902304744 /nfs/dbraw/zinc/30/47/44/902304744.db2.gz BDQGTROBZRCPFQ-LAWSMPECSA-N 2 0 267.417 1.531 10 0 CDAERP CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001268550635 902550223 /nfs/dbraw/zinc/55/02/23/902550223.db2.gz ZIQGGYHUMUIVHW-GXMNPTEKSA-N 2 0 267.417 1.533 10 0 CDAERP CCCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268556515 902556881 /nfs/dbraw/zinc/55/68/81/902556881.db2.gz POEIHQILVYYKAC-UZYOAWRESA-N 2 0 267.417 1.533 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001482160710 902784947 /nfs/dbraw/zinc/78/49/47/902784947.db2.gz JYDFHILCROTZJT-AWEZNQCLSA-N 2 0 279.428 1.390 10 0 CDAERP Cc1ncccc1C[NH2+]CCCN(C)C(=O)CC[NH+](C)C ZINC001268836141 903169150 /nfs/dbraw/zinc/16/91/50/903169150.db2.gz MHYKXGDSJPBCST-UHFFFAOYSA-N 2 0 292.427 1.280 10 0 CDAERP CCCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001269378967 903759664 /nfs/dbraw/zinc/75/96/64/903759664.db2.gz ZJINLSVAWZJDPD-STQMWFEESA-N 2 0 255.406 1.365 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001362789909 904065824 /nfs/dbraw/zinc/06/58/24/904065824.db2.gz XUQOWOUQLWGMMS-RRFJBIMHSA-N 2 0 283.460 1.952 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](CC[NH2+]CC3CC3)C2)C1 ZINC001269800151 904120114 /nfs/dbraw/zinc/12/01/14/904120114.db2.gz YYURNACWTSGJCN-HOTGVXAUSA-N 2 0 293.455 1.566 10 0 CDAERP C[C@@H](C[NH2+]CC1CC(C)(C)C1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001482266090 904367674 /nfs/dbraw/zinc/36/76/74/904367674.db2.gz KRIKJZKHUDXBSB-DZGCQCFKSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001270418981 904623439 /nfs/dbraw/zinc/62/34/39/904623439.db2.gz FDFWSDNKJKYPAJ-CQSZACIVSA-N 2 0 281.444 1.779 10 0 CDAERP CC(C)=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001270841850 905129550 /nfs/dbraw/zinc/12/95/50/905129550.db2.gz VGIBFOJRAVMLNJ-RDJZCZTQSA-N 2 0 293.455 1.733 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)C(C)C ZINC001482368863 905213116 /nfs/dbraw/zinc/21/31/16/905213116.db2.gz JNFOYKPPXOKPBG-CHWSQXEVSA-N 2 0 275.412 1.511 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)C(C)C ZINC001482370113 905220279 /nfs/dbraw/zinc/22/02/79/905220279.db2.gz RURWJGDNMBPMEJ-KBPBESRZSA-N 2 0 271.449 1.809 10 0 CDAERP CCC[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001271450582 906434185 /nfs/dbraw/zinc/43/41/85/906434185.db2.gz VOKHOERTUIRQFQ-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]CCF ZINC001482535843 906910426 /nfs/dbraw/zinc/91/04/26/906910426.db2.gz GRSMHKPCYZMCEH-ZIAGYGMSSA-N 2 0 287.423 1.561 10 0 CDAERP CC/C=C\CC[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001271880653 906928993 /nfs/dbraw/zinc/92/89/93/906928993.db2.gz URILOFJXMXNEPE-HNXFAEETSA-N 2 0 293.455 1.685 10 0 CDAERP COCCC[N@H+](C)CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001272080577 908045306 /nfs/dbraw/zinc/04/53/06/908045306.db2.gz OYQJNBHQZFJCPH-UHFFFAOYSA-N 2 0 299.459 1.288 10 0 CDAERP CC(C)[N@H+](C)CCN(C)C(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001482633648 908090256 /nfs/dbraw/zinc/09/02/56/908090256.db2.gz JIIKDPMFFBYKEY-LSDHHAIUSA-N 2 0 281.444 1.802 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC001482697996 908291956 /nfs/dbraw/zinc/29/19/56/908291956.db2.gz NLCJJTZNBVHLMJ-CVEARBPZSA-N 2 0 293.455 1.923 10 0 CDAERP CC[C@@H](C(=O)NC/C=C/C[NH2+]Cc1cnoc1C)[NH+](C)C ZINC001483083826 909302467 /nfs/dbraw/zinc/30/24/67/909302467.db2.gz QTHIRLIHKZRARG-UZYOAWRESA-N 2 0 294.399 1.085 10 0 CDAERP C[C@H](C[NH2+]Cc1ccccc1Cl)NC(=O)CC[NH+](C)C ZINC001483163134 909894248 /nfs/dbraw/zinc/89/42/48/909894248.db2.gz ZVIVANLYYKCPBR-GFCCVEGCSA-N 2 0 297.830 1.886 10 0 CDAERP CC(C)CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001409608493 910548513 /nfs/dbraw/zinc/54/85/13/910548513.db2.gz IMBYECGVTGPUEI-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CN(CCC[NH2+]CC1CC1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001483466801 911156261 /nfs/dbraw/zinc/15/62/61/911156261.db2.gz PZDLGNVILVQVFR-OAHLLOKOSA-N 2 0 279.428 1.176 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)NCC(C)(C)[NH+](C)C)CC1 ZINC000063636462 1169133964 /nfs/dbraw/zinc/13/39/64/1169133964.db2.gz VXHQLNYVHBGGDR-UHFFFAOYSA-N 2 0 283.460 1.811 10 0 CDAERP CCC[NH2+]CC[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001484545796 915875710 /nfs/dbraw/zinc/87/57/10/915875710.db2.gz WJAZXLQCGWLKNS-CQSZACIVSA-N 2 0 269.433 1.566 10 0 CDAERP CCCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001484548725 915877853 /nfs/dbraw/zinc/87/78/53/915877853.db2.gz DUFQLLIVPUDKPK-CABCVRRESA-N 2 0 281.444 1.566 10 0 CDAERP C[N@H+](CC(=O)N[C@H]1CC[C@H](C[NH2+]CCF)CC1)C1CCC1 ZINC001484568608 915890537 /nfs/dbraw/zinc/89/05/37/915890537.db2.gz OGEUCDYFAHJBPX-HDJSIYSDSA-N 2 0 299.434 1.705 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CCC1 ZINC001484638751 915993087 /nfs/dbraw/zinc/99/30/87/915993087.db2.gz HSVYQUBFIUSPAW-CQSZACIVSA-N 2 0 281.444 1.899 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NCC2([NH2+]CCCF)CCC2)C1 ZINC001484652778 915997733 /nfs/dbraw/zinc/99/77/33/915997733.db2.gz HNIFARZXJCGUHC-ZDUSSCGKSA-N 2 0 285.407 1.316 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC2CC(C[NH2+]CCF)C2)CC[N@@H+]1C ZINC001485092826 916504356 /nfs/dbraw/zinc/50/43/56/916504356.db2.gz WZNQZSLWUNCBQA-CLRIEMFWSA-N 2 0 285.407 1.171 10 0 CDAERP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)CC[C@H](C)F ZINC001485384481 916919621 /nfs/dbraw/zinc/91/96/21/916919621.db2.gz VSUNLELYJOXHBJ-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP CC[NH2+]CCC[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001485745589 917254053 /nfs/dbraw/zinc/25/40/53/917254053.db2.gz WDHHHZSOFKGHQQ-OLZOCXBDSA-N 2 0 255.406 1.223 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001392572559 919324851 /nfs/dbraw/zinc/32/48/51/919324851.db2.gz AAVVXYAPSIMIPO-XQQFMLRXSA-N 2 0 275.412 1.415 10 0 CDAERP C[N@@H+]1C[C@@]23CN(CC[NH+]4CCCC4)C[C@]2(C1)CCCC3 ZINC001434494744 920024582 /nfs/dbraw/zinc/02/45/82/920024582.db2.gz LHEUFRFVWJCZPP-CALCHBBNSA-N 2 0 277.456 1.890 10 0 CDAERP C[C@H]1[C@H]([NH2+]CCC2CC2)CCN1C(=O)CC[NH+](C)C ZINC001486083117 920685201 /nfs/dbraw/zinc/68/52/01/920685201.db2.gz AZQQRLZZDJETBQ-GXTWGEPZSA-N 2 0 267.417 1.317 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCC(C)C)[C@H]1C ZINC001486092859 920691546 /nfs/dbraw/zinc/69/15/46/920691546.db2.gz RSSDQCXHSMGSDW-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C)C1CC[NH+](CC)CC1)[NH+](C)C ZINC001486441275 921022993 /nfs/dbraw/zinc/02/29/93/921022993.db2.gz NSNHLBIJYKNNHQ-OCCSQVGLSA-N 2 0 269.433 1.563 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCC(C)(C)C)C1)[NH+](C)C ZINC001490928796 936831947 /nfs/dbraw/zinc/83/19/47/936831947.db2.gz TUBSPXJGVIJFRU-IHRRRGAJSA-N 2 0 283.460 2.000 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H](C[NH2+]CC2CCCC2)C1 ZINC001491169536 936868702 /nfs/dbraw/zinc/86/87/02/936868702.db2.gz BPZVSHHFFVXBDI-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](C[NH2+]CCC3CC3)C2)C1 ZINC001491185513 936870507 /nfs/dbraw/zinc/87/05/07/936870507.db2.gz RJXHVAWIQGXUPP-HOTGVXAUSA-N 2 0 293.455 1.566 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCC1 ZINC001491225524 936879553 /nfs/dbraw/zinc/87/95/53/936879553.db2.gz PPGVSNBISCGMTI-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]CCC2CC2)C1 ZINC001491273867 936887247 /nfs/dbraw/zinc/88/72/47/936887247.db2.gz YBDGXFDPXXGDNY-CVEARBPZSA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001410210308 925405929 /nfs/dbraw/zinc/40/59/29/925405929.db2.gz KUJZTGVTDSARJX-KKUMJFAQSA-N 2 0 281.444 1.611 10 0 CDAERP Cn1cc([C@H](O)C[NH2+][C@@H]2CCCN3CCCC[C@@H]23)cn1 ZINC000825651785 925877463 /nfs/dbraw/zinc/87/74/63/925877463.db2.gz DYSPFSOOADXMJT-QLFBSQMISA-N 2 0 278.400 1.060 10 0 CDAERP COC[C@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001488967600 926762174 /nfs/dbraw/zinc/76/21/74/926762174.db2.gz JKDUWEQZOJCRQA-SOUVJXGZSA-N 2 0 299.459 1.236 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1[C@@H]2CCC[NH+](CC)[C@H]2C1(C)C ZINC001489088201 926805680 /nfs/dbraw/zinc/80/56/80/926805680.db2.gz UWZZSZIHMAELDM-NUEKZKHPSA-N 2 0 295.471 1.953 10 0 CDAERP CC[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001490281428 927075974 /nfs/dbraw/zinc/07/59/74/927075974.db2.gz JDQRVLYMJMDQOL-CYBMUJFWSA-N 2 0 255.406 1.319 10 0 CDAERP CC[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001490380171 927139402 /nfs/dbraw/zinc/13/94/02/927139402.db2.gz XXOIPAPXMKOJHQ-UHFFFAOYSA-N 2 0 279.428 1.605 10 0 CDAERP CC[C@H](C)C[NH2+]C1CC(N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001411254773 927323128 /nfs/dbraw/zinc/32/31/28/927323128.db2.gz PIONGQUSHOONHM-NFOMZHRRSA-N 2 0 283.460 1.952 10 0 CDAERP CC[C@@H](C)C[NH2+]C1CC(N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001411254778 927323234 /nfs/dbraw/zinc/32/32/34/927323234.db2.gz PIONGQUSHOONHM-WLYUNCDWSA-N 2 0 283.460 1.952 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C[NH+](C)CCF)C2)C1 ZINC001490771275 927339440 /nfs/dbraw/zinc/33/94/40/927339440.db2.gz HKZPZQGRHMLBON-CABCVRRESA-N 2 0 299.434 1.468 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)NC1CC[NH+](C2CC2)CC1 ZINC000852857193 927899084 /nfs/dbraw/zinc/89/90/84/927899084.db2.gz LQNXGNYCBFXXNI-UHFFFAOYSA-N 2 0 263.385 1.039 10 0 CDAERP CC(C)(CCO)C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693669456 937250107 /nfs/dbraw/zinc/25/01/07/937250107.db2.gz UURXARVZEMYHHZ-FRRDWIJNSA-N 2 0 254.418 1.761 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)[NH+](C)C ZINC001136908318 931476041 /nfs/dbraw/zinc/47/60/41/931476041.db2.gz BTTWXLKWLJKIOP-MCIONIFRSA-N 2 0 269.433 1.514 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC/C=C/C[NH2+]CCCF)C1 ZINC001274499881 931504461 /nfs/dbraw/zinc/50/44/61/931504461.db2.gz YPRZOUOHKHFYSR-LRPXVYOUSA-N 2 0 299.434 1.728 10 0 CDAERP CCCCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001274883990 931601761 /nfs/dbraw/zinc/60/17/61/931601761.db2.gz ULWMLFQXLMPJAP-CHWSQXEVSA-N 2 0 255.406 1.365 10 0 CDAERP C[C@H](C[NH2+]C/C=C/Cl)NC(=O)CCC[NH+](C)C ZINC001274900441 931605318 /nfs/dbraw/zinc/60/53/18/931605318.db2.gz CASYBUSRIMDEQC-OKPNEXGHSA-N 2 0 261.797 1.175 10 0 CDAERP CN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C1CC[NH+](C)CC1 ZINC001411609242 931914537 /nfs/dbraw/zinc/91/45/37/931914537.db2.gz IBRXIEWUHFONNG-HIFRSBDPSA-N 2 0 281.444 1.659 10 0 CDAERP CCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001275844313 932087310 /nfs/dbraw/zinc/08/73/10/932087310.db2.gz LTVVZSNEODPPNQ-KBPBESRZSA-N 2 0 269.433 1.707 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001412392959 932407447 /nfs/dbraw/zinc/40/74/47/932407447.db2.gz PWPPNYHRBNQPRQ-LBPRGKRZSA-N 2 0 283.460 2.000 10 0 CDAERP C[C@@H](CNC(=O)CC[N@@H+]1CC[C@H](F)C1)[NH+](C)C1CC1 ZINC001412501729 932457683 /nfs/dbraw/zinc/45/76/83/932457683.db2.gz YLCFUIXUHJHSCF-RYUDHWBXSA-N 2 0 271.380 1.019 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCCC[C@@H]2C[NH+](C)C)CC[N@@H+]1C ZINC001412505847 932458666 /nfs/dbraw/zinc/45/86/66/932458666.db2.gz NZOBRSFPXXFUCP-SOUVJXGZSA-N 2 0 281.444 1.659 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCCC[C@H]2C[NH+](C)C)CC[N@@H+]1C ZINC001412505810 932458967 /nfs/dbraw/zinc/45/89/67/932458967.db2.gz NZOBRSFPXXFUCP-KKUMJFAQSA-N 2 0 281.444 1.659 10 0 CDAERP C[NH+](C)CC[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001412600833 932546018 /nfs/dbraw/zinc/54/60/18/932546018.db2.gz SLOYHLUBWZSQDF-OAHLLOKOSA-N 2 0 281.444 1.519 10 0 CDAERP C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1cnn(C)n1 ZINC000926797206 933024459 /nfs/dbraw/zinc/02/44/59/933024459.db2.gz NDTYZOXNEMAVRR-DCBWTQNWSA-N 2 0 265.405 1.729 10 0 CDAERP COc1ccc(CC[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC001119545550 937730972 /nfs/dbraw/zinc/73/09/72/937730972.db2.gz ZLHXSDRQKQHBNV-GOOCMWNKSA-N 2 0 275.396 1.753 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC1CCOCC1 ZINC001119688842 937747585 /nfs/dbraw/zinc/74/75/85/937747585.db2.gz LTGQOTLHDPELPB-YIONKMFJSA-N 2 0 252.402 1.733 10 0 CDAERP C(C[N@@H+]1CC[NH2+]CCC12CCOCC2)OCC1CC1 ZINC001120265703 937790244 /nfs/dbraw/zinc/79/02/44/937790244.db2.gz OBERYLUQJRGICW-UHFFFAOYSA-N 2 0 268.401 1.258 10 0 CDAERP CC(C)CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001568633249 1169408577 /nfs/dbraw/zinc/40/85/77/1169408577.db2.gz ATEYZDDQTCAFLI-RRFJBIMHSA-N 2 0 283.460 1.857 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCCF)C1CC1 ZINC001276612637 940434263 /nfs/dbraw/zinc/43/42/63/940434263.db2.gz VVPQPNBORIRNKB-UONOGXRCSA-N 2 0 285.407 1.315 10 0 CDAERP CCCC[NH2+]C[C@@H](NC(=O)Cn1cncc1C)C1CC1 ZINC001276626862 940453072 /nfs/dbraw/zinc/45/30/72/940453072.db2.gz MXPFYSKVQPPHHE-CQSZACIVSA-N 2 0 278.400 1.476 10 0 CDAERP CCCC[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001497969410 973595119 /nfs/dbraw/zinc/59/51/19/973595119.db2.gz UPDUHIFMBSPSJU-CHWSQXEVSA-N 2 0 257.422 1.467 10 0 CDAERP CCO[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@H]1C[NH3+] ZINC000405194590 940973867 /nfs/dbraw/zinc/97/38/67/940973867.db2.gz AAROCBCGTKQIJZ-RBSFLKMASA-N 2 0 264.369 1.016 10 0 CDAERP CCC[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]3C[C@H](C)C[N@@H+]3C2)CC1 ZINC001362027367 970791825 /nfs/dbraw/zinc/79/18/25/970791825.db2.gz AKUIDOXQPGYTNS-ARFHVFGLSA-N 2 0 293.455 1.661 10 0 CDAERP CCN(CC[NH2+]CCOC)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001568751589 1169463387 /nfs/dbraw/zinc/46/33/87/1169463387.db2.gz PYEWKUNWLSUPJN-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CCN(CC[NH2+]CC[C@H](C)F)C(=O)[C@H]1CCC[N@@H+]1C ZINC001568765265 1169467552 /nfs/dbraw/zinc/46/75/52/1169467552.db2.gz KVQRFINEULORFO-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP CCCCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001277020459 941824166 /nfs/dbraw/zinc/82/41/66/941824166.db2.gz SSMCXWNSFJOHKT-AWEZNQCLSA-N 2 0 281.444 1.899 10 0 CDAERP CC[C@H](C(=O)NCC1([NH2+]CCCF)CCC1)[NH+](C)C ZINC001280488054 942452218 /nfs/dbraw/zinc/45/22/18/942452218.db2.gz MDWPRZFEHOBUKQ-GFCCVEGCSA-N 2 0 273.396 1.315 10 0 CDAERP CCOCCC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001280757997 942483394 /nfs/dbraw/zinc/48/33/94/942483394.db2.gz YXWUXGLVBRIPOK-OAHLLOKOSA-N 2 0 299.459 1.335 10 0 CDAERP CC[C@@H](C(=O)NC1CC(C[NH2+]CC=C(C)C)C1)[NH+](C)C ZINC001282056992 942650931 /nfs/dbraw/zinc/65/09/31/942650931.db2.gz IDWNOXQECIJUQQ-NRXISQOPSA-N 2 0 281.444 1.777 10 0 CDAERP CCCCC[NH+]1CC([C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001282736842 942746545 /nfs/dbraw/zinc/74/65/45/942746545.db2.gz IGZGBZRADKTHBQ-AWEZNQCLSA-N 2 0 293.455 1.709 10 0 CDAERP CN(C(=O)C[NH+]1CCCC1)[C@H](C[NH2+]C/C=C/Cl)C1CC1 ZINC001277725697 943421622 /nfs/dbraw/zinc/42/16/22/943421622.db2.gz AYOAESLNBJOZHT-BTKRWWFXSA-N 2 0 299.846 1.661 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2C[C@H]([NH2+]CCCF)C2)C1 ZINC001264431862 944135109 /nfs/dbraw/zinc/13/51/09/944135109.db2.gz AZDAVGGUPUWBTL-MGPQQGTHSA-N 2 0 285.407 1.172 10 0 CDAERP C[N@H+](CCF)CCCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001264996855 944193302 /nfs/dbraw/zinc/19/33/02/944193302.db2.gz RLKOCXBJNWHYQA-CYBMUJFWSA-N 2 0 273.396 1.268 10 0 CDAERP CC(C)C[C@@H](CNC(=O)CC[N@@H+]1CC[C@@H](F)C1)[NH+](C)C ZINC001362250069 971072696 /nfs/dbraw/zinc/07/26/96/971072696.db2.gz SXXRJUPIDNRRKL-KGLIPLIRSA-N 2 0 287.423 1.513 10 0 CDAERP Cc1nc[nH]c1CC(=O)N1CCC[C@H]1C[NH2+]C/C=C/Cl ZINC001277990049 944531917 /nfs/dbraw/zinc/53/19/17/944531917.db2.gz IVOGSJDPOJUOBR-PYEVWLCESA-N 2 0 296.802 1.594 10 0 CDAERP COCCCC[NH2+]C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001277997561 944540520 /nfs/dbraw/zinc/54/05/20/944540520.db2.gz NMCXCQZRCJFMRQ-HNNXBMFYSA-N 2 0 297.443 1.089 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCCF)C1 ZINC001265916749 944572039 /nfs/dbraw/zinc/57/20/39/944572039.db2.gz XXDSWCHMCIMRSJ-GJZGRUSLSA-N 2 0 299.434 1.657 10 0 CDAERP CC[N@H+](C)CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001265933661 944581315 /nfs/dbraw/zinc/58/13/15/944581315.db2.gz QDUBIDVORGEKCD-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]CCCF)C2)CC[N@@H+]1C ZINC001265979866 944610883 /nfs/dbraw/zinc/61/08/83/944610883.db2.gz VLSCLXBKTOYKQQ-MGPQQGTHSA-N 2 0 285.407 1.124 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)CC1CC1 ZINC001266054442 944656665 /nfs/dbraw/zinc/65/66/65/944656665.db2.gz RRZSHTVZLBTNOO-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001266067338 944661679 /nfs/dbraw/zinc/66/16/79/944661679.db2.gz KYSGIQSROWLKQC-ZIAGYGMSSA-N 2 0 269.433 1.755 10 0 CDAERP CCCC[NH2+][C@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001266155008 944721130 /nfs/dbraw/zinc/72/11/30/944721130.db2.gz IMLLJKVKBQVILW-ZIAGYGMSSA-N 2 0 269.433 1.755 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC001362314665 971148605 /nfs/dbraw/zinc/14/86/05/971148605.db2.gz ROBPQGXKXOBBDC-CHWSQXEVSA-N 2 0 271.449 1.667 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001479408421 971321852 /nfs/dbraw/zinc/32/18/52/971321852.db2.gz LEHFFALKDIYGQY-BZUAXINKSA-N 2 0 293.455 1.779 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N2CCC3(C[NH+](C)C3)C2)C1 ZINC001362483688 971325355 /nfs/dbraw/zinc/32/53/55/971325355.db2.gz QRQIAYCSIOPKIV-AWEZNQCLSA-N 2 0 279.428 1.271 10 0 CDAERP CCN1CC[C@@H]1C(=O)NCc1ccccc1-n1ccnc1C ZINC001362486433 971326171 /nfs/dbraw/zinc/32/61/71/971326171.db2.gz XFTIFHQGOJHODM-MRXNPFEDSA-N 2 0 298.390 1.891 10 0 CDAERP CCOCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001278379139 947350720 /nfs/dbraw/zinc/35/07/20/947350720.db2.gz RFAXDPCBJSQVPQ-UONOGXRCSA-N 2 0 297.443 1.086 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@H]1C ZINC001479708543 971377334 /nfs/dbraw/zinc/37/73/34/971377334.db2.gz NNDSNQLSCZWTIC-KFWWJZLASA-N 2 0 281.444 1.850 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](CC1CC1)C1CC1 ZINC001479870638 971463598 /nfs/dbraw/zinc/46/35/98/971463598.db2.gz KJKRYYXFUZVNJH-MRXNPFEDSA-N 2 0 293.455 1.851 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@](C)(C[NH2+]CCF)C1 ZINC001278491846 948708690 /nfs/dbraw/zinc/70/86/90/948708690.db2.gz VMYBAWCCTLXNLM-ZBFHGGJFSA-N 2 0 299.434 1.657 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001480089293 971572489 /nfs/dbraw/zinc/57/24/89/971572489.db2.gz JCCVAGPLAKOHAX-HNNXBMFYSA-N 2 0 283.460 1.907 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]C(C)C)[NH+](CC)CC ZINC001569079847 1169634210 /nfs/dbraw/zinc/63/42/10/1169634210.db2.gz PKMJOMVBMBODPS-STQMWFEESA-N 2 0 257.422 1.610 10 0 CDAERP C[C@@H](C[NH2+]CCC1=CCCCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001569097238 1169643013 /nfs/dbraw/zinc/64/30/13/1169643013.db2.gz PZBJNADAVWIMIE-GOEBONIOSA-N 2 0 293.455 1.923 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]C(C)C ZINC001480471364 971745133 /nfs/dbraw/zinc/74/51/33/971745133.db2.gz FPGUNXUNVKFAHM-CHWSQXEVSA-N 2 0 255.406 1.364 10 0 CDAERP CC[NH2+]C[C@@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001480663745 971830315 /nfs/dbraw/zinc/83/03/15/971830315.db2.gz MPHRHVNUBRSXRA-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP CC[N@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)CC[C@@H](C)F ZINC001493020686 971924942 /nfs/dbraw/zinc/92/49/42/971924942.db2.gz GPMNWIXSUSYOPV-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CC1CC(C)(C)C1 ZINC001493059029 971935776 /nfs/dbraw/zinc/93/57/76/971935776.db2.gz URCDWBVJBBTPIZ-OAHLLOKOSA-N 2 0 295.471 1.812 10 0 CDAERP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2C[N@H+](C)CC2(C)C)c1 ZINC001363621303 953559619 /nfs/dbraw/zinc/55/96/19/953559619.db2.gz UZEUGYWCSKCWBD-OAHLLOKOSA-N 2 0 289.423 1.818 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1CCCC[C@H]1[NH3+])C(C)C ZINC001326407435 954364059 /nfs/dbraw/zinc/36/40/59/954364059.db2.gz CZXMFQWXOFMACT-QWHCGFSZSA-N 2 0 255.406 1.350 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@@H](CC[NH2+]CCF)C1 ZINC001326420064 954371524 /nfs/dbraw/zinc/37/15/24/954371524.db2.gz XXCJJXMIHLOBAH-CYBMUJFWSA-N 2 0 273.396 1.126 10 0 CDAERP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC1CC(C)(C)C1 ZINC001491637062 955337554 /nfs/dbraw/zinc/33/75/54/955337554.db2.gz HZRVBSIGUABKTN-UONOGXRCSA-N 2 0 295.471 1.859 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCF ZINC001421633900 955445795 /nfs/dbraw/zinc/44/57/95/955445795.db2.gz KDTSLTBJXYTDES-LSDHHAIUSA-N 2 0 299.434 1.753 10 0 CDAERP COC[C@@H](C)[N@H+](C)CCCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001421892699 955633882 /nfs/dbraw/zinc/63/38/82/955633882.db2.gz NUUYWVXDNMGTRN-HUUCEWRRSA-N 2 0 299.459 1.143 10 0 CDAERP CC[N@H+](C)[C@@H]1CCN(C(=O)NCC2([NH+](C)C)CCC2)C1 ZINC001365146509 955647291 /nfs/dbraw/zinc/64/72/91/955647291.db2.gz RSPDZQYGUBRWLE-CYBMUJFWSA-N 2 0 282.432 1.206 10 0 CDAERP COCCC[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001329102276 955685886 /nfs/dbraw/zinc/68/58/86/955685886.db2.gz CVSAOYMQRMPFEQ-KGLIPLIRSA-N 2 0 299.459 1.380 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC2CCC2)[C@H](C)C1 ZINC001422027615 955708719 /nfs/dbraw/zinc/70/87/19/955708719.db2.gz KVKWYLVEQQQJMB-GDBMZVCRSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001422167127 955769998 /nfs/dbraw/zinc/76/99/98/955769998.db2.gz HLVTYNVLHZYIAK-ZDUSSCGKSA-N 2 0 287.423 1.609 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001329500216 955951035 /nfs/dbraw/zinc/95/10/35/955951035.db2.gz ZOYWIHTWGINADR-NFAWXSAZSA-N 2 0 265.401 1.106 10 0 CDAERP CCN(CC[NH2+]C(C)C)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001422448853 956013168 /nfs/dbraw/zinc/01/31/68/956013168.db2.gz GYKYFWKJOBGVRH-LSDHHAIUSA-N 2 0 281.444 1.850 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)C[NH2+]C(C)(C)C ZINC001329711398 956074167 /nfs/dbraw/zinc/07/41/67/956074167.db2.gz BQODELYVWDCNCB-UHFFFAOYSA-N 2 0 257.422 1.469 10 0 CDAERP C[C@H](F)CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001422936382 956460381 /nfs/dbraw/zinc/46/03/81/956460381.db2.gz VWTXWJGLTAZKRA-ZFWWWQNUSA-N 2 0 299.434 1.752 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@H](C[NH2+]CC2CCC2)C2CC2)C1 ZINC001423018112 956513378 /nfs/dbraw/zinc/51/33/78/956513378.db2.gz HOZLMDFKAFEHIU-CZUORRHYSA-N 2 0 293.455 1.613 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1 ZINC001366123752 956581479 /nfs/dbraw/zinc/58/14/79/956581479.db2.gz LFFBBFUDSCMZJA-SHTZXODSSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001423110786 956595843 /nfs/dbraw/zinc/59/58/43/956595843.db2.gz JUWBDQPFKYBHKK-TZMCWYRMSA-N 2 0 285.407 1.409 10 0 CDAERP CC[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](C)C ZINC001366236342 956653727 /nfs/dbraw/zinc/65/37/27/956653727.db2.gz WWXZVWNMTCKDAW-SBJFKYEJSA-N 2 0 281.444 1.419 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)[NH2+]CCc1ccns1)[NH+](C)C ZINC001366299759 956722924 /nfs/dbraw/zinc/72/29/24/956722924.db2.gz ROSNPSRSWYULAM-WCQYABFASA-N 2 0 298.456 1.120 10 0 CDAERP CC(C)=CC[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001316866204 956773187 /nfs/dbraw/zinc/77/31/87/956773187.db2.gz ZIQWJSQQUYTINK-CQSZACIVSA-N 2 0 267.417 1.342 10 0 CDAERP CC(C)C[NH2+][C@H]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001366441005 956828529 /nfs/dbraw/zinc/82/85/29/956828529.db2.gz UWKYCIPNHWVTQA-GJZGRUSLSA-N 2 0 283.460 2.000 10 0 CDAERP CC[NH2+]C[C@@]1(C)CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001423634578 956913798 /nfs/dbraw/zinc/91/37/98/956913798.db2.gz FFDVGWUMKAGWBQ-GOEBONIOSA-N 2 0 281.444 1.709 10 0 CDAERP CN(CCC[NH2+]CC1CCC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001569257832 1169738037 /nfs/dbraw/zinc/73/80/37/1169738037.db2.gz NIDPSXVUBZVUIJ-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCCF ZINC001331455499 957075109 /nfs/dbraw/zinc/07/51/09/957075109.db2.gz NUZRHHRKRDPNTK-JHJVBQTASA-N 2 0 273.396 1.123 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCCC[NH+](C)CC1CCCC1 ZINC001316870843 957081053 /nfs/dbraw/zinc/08/10/53/957081053.db2.gz TXPLVMJJFDYBHU-UHFFFAOYSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001366703261 957125869 /nfs/dbraw/zinc/12/58/69/957125869.db2.gz PJUAYWHQMWCWHI-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CC[NH+](CCC3CC3)C2)C1 ZINC001366703854 957126914 /nfs/dbraw/zinc/12/69/14/957126914.db2.gz HMNVNVJWQWRBTH-HZPDHXFCSA-N 2 0 293.455 1.566 10 0 CDAERP CCC[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CCC1 ZINC001424179441 957148029 /nfs/dbraw/zinc/14/80/29/957148029.db2.gz PMXZSCQYDVNDQZ-AWEZNQCLSA-N 2 0 279.428 1.367 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H](NC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001316991728 957188303 /nfs/dbraw/zinc/18/83/03/957188303.db2.gz RFCFPQUSRYCGLP-WBVHZDCISA-N 2 0 293.455 1.853 10 0 CDAERP Cc1cccnc1C[NH2+][C@@H](C)CCNC(=O)CC[NH+](C)C ZINC001424596920 957281566 /nfs/dbraw/zinc/28/15/66/957281566.db2.gz ZOJQRHLBDOJVJX-AWEZNQCLSA-N 2 0 292.427 1.326 10 0 CDAERP CC(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C[NH+](C)C)CC1 ZINC001366998105 957322321 /nfs/dbraw/zinc/32/23/21/957322321.db2.gz VFRMYWVFSBMENZ-GJZGRUSLSA-N 2 0 293.455 1.659 10 0 CDAERP C[N@H+](CC(=O)N1CC[C@@H](C[NH2+]CCC2CC2)C1)C1CCC1 ZINC001317323354 957422721 /nfs/dbraw/zinc/42/27/21/957422721.db2.gz RLKSCUJYENJMJV-HNNXBMFYSA-N 2 0 293.455 1.709 10 0 CDAERP C[N@H+](CC(=O)N1CC[C@@H](C[NH2+]CCF)C1)CC(C)(C)C ZINC001317340287 957431010 /nfs/dbraw/zinc/43/10/10/957431010.db2.gz WVBBXWDFDXSQKJ-ZDUSSCGKSA-N 2 0 287.423 1.372 10 0 CDAERP COCCC[NH2+][C@H]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001317364145 957436796 /nfs/dbraw/zinc/43/67/96/957436796.db2.gz RQJNDLLMYZDGJB-GJZGRUSLSA-N 2 0 297.443 1.136 10 0 CDAERP C[C@@H](CCNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CCCO ZINC001317392824 957450312 /nfs/dbraw/zinc/45/03/12/957450312.db2.gz HRLDPUYTZUFRBT-AWEZNQCLSA-N 2 0 299.459 1.118 10 0 CDAERP CC[C@@H](F)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001425329990 957516666 /nfs/dbraw/zinc/51/66/66/957516666.db2.gz UOQGEJUPODNHDV-TUVASFSCSA-N 2 0 299.434 1.370 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001317531704 957533319 /nfs/dbraw/zinc/53/33/19/957533319.db2.gz CDVBKYFSRORURK-KBPBESRZSA-N 2 0 267.417 1.176 10 0 CDAERP CCCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@H+](CC)C1 ZINC001317773591 957659273 /nfs/dbraw/zinc/65/92/73/957659273.db2.gz RYICWXPEGZHZOR-AWEZNQCLSA-N 2 0 269.433 1.659 10 0 CDAERP CCCC[NH+]1CCC([C@H](C)NC(=O)CC[NH+](C)C)CC1 ZINC001426191429 957828582 /nfs/dbraw/zinc/82/85/82/957828582.db2.gz LTUVPELZDQVLST-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@H](C(=O)N(C)C1CC([NH2+]CCC(C)C)C1)[NH+](C)C ZINC001426221460 957849733 /nfs/dbraw/zinc/84/97/33/957849733.db2.gz DRZGSKHZVIZSEC-YMAMQOFZSA-N 2 0 283.460 1.952 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CCC(C)(C)C)CCO1 ZINC001367303101 957914938 /nfs/dbraw/zinc/91/49/38/957914938.db2.gz BCVANTBOQKQKGX-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP CC[NH2+]C1(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CCCC1 ZINC001367327870 957932361 /nfs/dbraw/zinc/93/23/61/957932361.db2.gz DGMOBVMJARGGIJ-OKILXGFUSA-N 2 0 281.444 1.898 10 0 CDAERP CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1nccs1)[NH+](C)C ZINC001367398449 957992344 /nfs/dbraw/zinc/99/23/44/957992344.db2.gz ODCDRBVZEYYRMA-NWDGAFQWSA-N 2 0 298.456 1.420 10 0 CDAERP CC(C)OCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001367812989 958396650 /nfs/dbraw/zinc/39/66/50/958396650.db2.gz CYILLLNZXOWENF-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C[NH2+]CCF ZINC001319195093 958425892 /nfs/dbraw/zinc/42/58/92/958425892.db2.gz FJHHFJMUYISXAO-UKRRQHHQSA-N 2 0 299.434 1.705 10 0 CDAERP COC[C@H](C)[NH2+]C1CCC(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001371070043 972347565 /nfs/dbraw/zinc/34/75/65/972347565.db2.gz FGLHYFQFBAJIOH-NFOMZHRRSA-N 2 0 299.459 1.379 10 0 CDAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C[NH2+]C/C=C\Cl ZINC001319245881 958454257 /nfs/dbraw/zinc/45/42/57/958454257.db2.gz PJUOTVSXBWVUMV-QMVVBGKPSA-N 2 0 287.835 1.423 10 0 CDAERP C[C@@H](C[NH2+]CCCC1CCC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001319574799 958638229 /nfs/dbraw/zinc/63/82/29/958638229.db2.gz NMULWOWZTSGFSU-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](C(=O)N1CCCC[C@@H]1CC[NH2+]CCOC)[NH+](C)C ZINC001319766880 958717012 /nfs/dbraw/zinc/71/70/12/958717012.db2.gz NDVVTWMSKISRCW-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC2([NH2+]CCF)CCC2)C1 ZINC001368484992 958893825 /nfs/dbraw/zinc/89/38/25/958893825.db2.gz HXIVAOSJCQFWBK-UONOGXRCSA-N 2 0 299.434 1.705 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001368522349 958922346 /nfs/dbraw/zinc/92/23/46/958922346.db2.gz MENLFIQOWNBWAR-SOUVJXGZSA-N 2 0 293.455 1.613 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2C[C@H]([NH2+]C/C=C/Cl)C2)C1 ZINC001368603033 958992628 /nfs/dbraw/zinc/99/26/28/958992628.db2.gz DEYBDHFCEHYZKR-NKMJYUMPSA-N 2 0 299.846 1.565 10 0 CDAERP Cc1cc(C)c(C(=O)N[C@@H](C[NH2+]CCO)C2CC2)c(C)n1 ZINC001569313292 1169760705 /nfs/dbraw/zinc/76/07/05/1169760705.db2.gz UINSUJFHEWVHLT-AWEZNQCLSA-N 2 0 291.395 1.097 10 0 CDAERP CC[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CCOC ZINC001495068627 972395492 /nfs/dbraw/zinc/39/54/92/972395492.db2.gz HIMLNPYQHDMZNV-GJZGRUSLSA-N 2 0 299.459 1.382 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CC1CCC1 ZINC001368695691 959053058 /nfs/dbraw/zinc/05/30/58/959053058.db2.gz PYBDLGMVGPXVIF-UKRRQHHQSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H]([NH2+]CCOCCCO)c1cccc(C[NH+](C)C)c1 ZINC001334405275 959093659 /nfs/dbraw/zinc/09/36/59/959093659.db2.gz CXTAPFLBCFVZRR-CQSZACIVSA-N 2 0 280.412 1.798 10 0 CDAERP CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001320643090 959289257 /nfs/dbraw/zinc/28/92/57/959289257.db2.gz CPCFRQTXLIQKAM-STQMWFEESA-N 2 0 255.406 1.365 10 0 CDAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)Cc1cccnc1 ZINC001369000818 959389100 /nfs/dbraw/zinc/38/91/00/959389100.db2.gz COYKFNRJPDZOBT-AWEZNQCLSA-N 2 0 290.411 1.114 10 0 CDAERP CC(C)[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCC[NH+](C)C)C[C@H]2C1 ZINC001369155144 959488927 /nfs/dbraw/zinc/48/89/27/959488927.db2.gz FUJAQLNRFOZBIA-JYJNAYRXSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)CC[NH2+][C@H](C)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001369156183 959489527 /nfs/dbraw/zinc/48/95/27/959489527.db2.gz RWVMXRXIIBGLQF-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001369233850 959557563 /nfs/dbraw/zinc/55/75/63/959557563.db2.gz WQVBLBGUGAXHBV-GOEBONIOSA-N 2 0 295.471 1.811 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccon2)C1 ZINC001369430824 959682732 /nfs/dbraw/zinc/68/27/32/959682732.db2.gz YYSWKGPXCUFBPO-OLZOCXBDSA-N 2 0 294.399 1.001 10 0 CDAERP CC(C)[NH+]1CCC([C@@H](C)NC(=O)CCC[NH+](C)C)CC1 ZINC001369557672 959757891 /nfs/dbraw/zinc/75/78/91/959757891.db2.gz AGFFZUNOLYZXNE-CQSZACIVSA-N 2 0 283.460 1.953 10 0 CDAERP CN(C(=O)CC[NH+](C)C)C1CC([NH2+]C[C@H]2CCCCO2)C1 ZINC001369575742 959769076 /nfs/dbraw/zinc/76/90/76/959769076.db2.gz VADNZNXFKQBBPX-YMAMQOFZSA-N 2 0 297.443 1.086 10 0 CDAERP C[C@H](C[NH2+]CCC(F)(F)F)NC(=O)C[NH+]1CCCC1 ZINC001321746530 959930475 /nfs/dbraw/zinc/93/04/75/959930475.db2.gz MEJYGRQRXVXGIB-SNVBAGLBSA-N 2 0 281.322 1.129 10 0 CDAERP C[C@@H](C[NH2+]CC1CC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001321959506 960033054 /nfs/dbraw/zinc/03/30/54/960033054.db2.gz YVZOZVYOGCDFMQ-OBJOEFQTSA-N 2 0 267.417 1.221 10 0 CDAERP CC[C@@H](C[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)OC ZINC001322570597 960264865 /nfs/dbraw/zinc/26/48/65/960264865.db2.gz SDDXRIGBQVJSJS-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)[NH2+]CCCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001322769066 960317418 /nfs/dbraw/zinc/31/74/18/960317418.db2.gz GLKKPBHZJFHJHX-UHFFFAOYSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@H](Cn1ccnc1)NC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001433616245 960453495 /nfs/dbraw/zinc/45/34/95/960453495.db2.gz UHSCCMNTHXMWTA-HZSPNIEDSA-N 2 0 278.400 1.508 10 0 CDAERP CCCC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001323111033 960459305 /nfs/dbraw/zinc/45/93/05/960459305.db2.gz ZOAMBTWTQOWIMA-UONOGXRCSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001418585682 960762184 /nfs/dbraw/zinc/76/21/84/960762184.db2.gz AMYZBTIDJGRREM-CABCVRRESA-N 2 0 281.444 1.517 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001418620842 960806377 /nfs/dbraw/zinc/80/63/77/960806377.db2.gz UIXSCNOTMJQEKV-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001418661718 960866985 /nfs/dbraw/zinc/86/69/85/960866985.db2.gz AHVVJQFMLLPADP-QLFBSQMISA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)[C@H](C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1)[NH+]1CCCC1 ZINC001418697656 960914835 /nfs/dbraw/zinc/91/48/35/960914835.db2.gz JNBNNESDBSPEBP-JKSUJKDBSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[N@@H+]1CC1CC1 ZINC001418806236 961043909 /nfs/dbraw/zinc/04/39/09/961043909.db2.gz GYQUAQDKPJSXKJ-ZBFHGGJFSA-N 2 0 293.455 1.851 10 0 CDAERP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001418804776 961044711 /nfs/dbraw/zinc/04/47/11/961044711.db2.gz FOCXRGGITJHDMF-HIFRSBDPSA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@@H](CCNC(=O)Cc2c[nH]cn2)C1 ZINC001418903030 961147806 /nfs/dbraw/zinc/14/78/06/961147806.db2.gz CRJMNSJSCBCPRK-OLZOCXBDSA-N 2 0 296.390 1.529 10 0 CDAERP C[C@@H](F)CC[NH+]1CC(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001419034687 961284883 /nfs/dbraw/zinc/28/48/83/961284883.db2.gz GKHSKBJNNUJPOL-CHWSQXEVSA-N 2 0 285.407 1.124 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001434411063 961328956 /nfs/dbraw/zinc/32/89/56/961328956.db2.gz DELVZCRONQZTSL-FXUDXRNXSA-N 2 0 295.471 1.763 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001434411065 961330228 /nfs/dbraw/zinc/33/02/28/961330228.db2.gz DELVZCRONQZTSL-QXSJWSMHSA-N 2 0 295.471 1.763 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001434411066 961331943 /nfs/dbraw/zinc/33/19/43/961331943.db2.gz DELVZCRONQZTSL-UGUYLWEFSA-N 2 0 295.471 1.763 10 0 CDAERP CN(C)c1ccc(CN2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)cn1 ZINC001434493238 961529720 /nfs/dbraw/zinc/52/97/20/961529720.db2.gz VDJXTFFVSOATDW-ZBFHGGJFSA-N 2 0 274.412 1.531 10 0 CDAERP C[N@H+](CCCF)C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001419344163 961619153 /nfs/dbraw/zinc/61/91/53/961619153.db2.gz JYDPTWPBMQDYET-OAHLLOKOSA-N 2 0 299.434 1.612 10 0 CDAERP CCc1[nH]c(C[NH2+]CC2=CC[N@H+](C)CC2)cc1C(=O)OC ZINC001338250701 961708881 /nfs/dbraw/zinc/70/88/81/961708881.db2.gz SOKQLEDMUHPTBL-UHFFFAOYSA-N 2 0 291.395 1.715 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001419475434 961746913 /nfs/dbraw/zinc/74/69/13/961746913.db2.gz NODGRMCNADKPMU-UPJWGTAASA-N 2 0 285.407 1.456 10 0 CDAERP CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001436325803 962181882 /nfs/dbraw/zinc/18/18/82/962181882.db2.gz SFIPWRBAWXJLIS-HUUCEWRRSA-N 2 0 281.444 1.804 10 0 CDAERP CN(CC[N@H+](C)CC1CC1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001419966290 962304268 /nfs/dbraw/zinc/30/42/68/962304268.db2.gz KVUXVHBVZPXZMM-HNNXBMFYSA-N 2 0 279.428 1.128 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001420022130 962384083 /nfs/dbraw/zinc/38/40/83/962384083.db2.gz XENNDHJRJPABMK-KBPBESRZSA-N 2 0 287.423 1.513 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)CC[N@H+](C)CC1CC1)[NH+]1CCCC1 ZINC001420062683 962436739 /nfs/dbraw/zinc/43/67/39/962436739.db2.gz RAONEZYEGPAYKC-INIZCTEOSA-N 2 0 295.471 1.907 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1C[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001436976480 962539863 /nfs/dbraw/zinc/53/98/63/962539863.db2.gz IPLVDJCAWQVGEI-ISKJAOIZSA-N 2 0 299.846 1.849 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCc1ccccc1 ZINC001437264869 962778939 /nfs/dbraw/zinc/77/89/39/962778939.db2.gz XJBVTIBDWFYODZ-GDBMZVCRSA-N 2 0 289.423 1.275 10 0 CDAERP Cc1cccc(C[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C(C)C)c1 ZINC001420375611 962812106 /nfs/dbraw/zinc/81/21/06/962812106.db2.gz GGZOKAHIODCEGF-OAHLLOKOSA-N 2 0 291.439 1.930 10 0 CDAERP Cc1cc(C[NH2+][C@H](C)CCNC(=O)CC[NH+](C)C)sn1 ZINC001437401567 962863561 /nfs/dbraw/zinc/86/35/61/962863561.db2.gz IILRAGPJSODFEH-LLVKDONJSA-N 2 0 298.456 1.388 10 0 CDAERP C[C@H](C[N@H+](C)CCC(C)(C)C)NC(=O)[C@@H]1CN(C)CCO1 ZINC001420567699 963072817 /nfs/dbraw/zinc/07/28/17/963072817.db2.gz WJWLTCOYOOGBSR-KGLIPLIRSA-N 2 0 299.459 1.190 10 0 CDAERP CCC[N@H+](CCCF)CCNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001437763699 963170041 /nfs/dbraw/zinc/17/00/41/963170041.db2.gz DIYVMOINRFJSJD-INIZCTEOSA-N 2 0 299.434 1.660 10 0 CDAERP C[C@@H]([NH2+]CCF)C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001420763833 963227469 /nfs/dbraw/zinc/22/74/69/963227469.db2.gz YJBCWYNGFLHOPH-KGLIPLIRSA-N 2 0 299.434 1.514 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NCC[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC001437945418 963247768 /nfs/dbraw/zinc/24/77/68/963247768.db2.gz IGDFHQJZXOAUBU-HOTGVXAUSA-N 2 0 293.455 1.566 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001437952068 963254511 /nfs/dbraw/zinc/25/45/11/963254511.db2.gz ZKBLOILXMDTZML-HZPDHXFCSA-N 2 0 295.471 1.812 10 0 CDAERP C[NH+](C)CC1(C(=O)NC[C@H]2CC[N@@H+]2CC2CCCC2)CC1 ZINC001420874831 963323784 /nfs/dbraw/zinc/32/37/84/963323784.db2.gz XWENERWOTFYJSB-OAHLLOKOSA-N 2 0 293.455 1.709 10 0 CDAERP C[NH+](C)CC1(C(=O)NC[C@@H]2CC[N@@H+]2CC2CCCC2)CC1 ZINC001420874822 963324586 /nfs/dbraw/zinc/32/45/86/963324586.db2.gz XWENERWOTFYJSB-HNNXBMFYSA-N 2 0 293.455 1.709 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1C[NH+](CCCF)C1 ZINC001421136211 963470837 /nfs/dbraw/zinc/47/08/37/963470837.db2.gz IXSOZGYHBVXOKY-AWEZNQCLSA-N 2 0 285.407 1.268 10 0 CDAERP CC[C@H](C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001438588391 963492370 /nfs/dbraw/zinc/49/23/70/963492370.db2.gz OPZYEYLQKWSCFE-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC2CC2)CC[N@@H+]1C ZINC001438648663 963514108 /nfs/dbraw/zinc/51/41/08/963514108.db2.gz FIEJDFGMXOWIQS-VHDGCEQUSA-N 2 0 281.444 1.563 10 0 CDAERP C[C@H](C[NH2+]Cc1nccs1)N(C)C(=O)CC[NH+](C)C ZINC001438671253 963521229 /nfs/dbraw/zinc/52/12/29/963521229.db2.gz GBZMLLZEAFIVAJ-LLVKDONJSA-N 2 0 284.429 1.031 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001439530715 963788851 /nfs/dbraw/zinc/78/88/51/963788851.db2.gz RQXOAQRUBZGHCL-UKRRQHHQSA-N 2 0 281.444 1.707 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC001439710910 963840874 /nfs/dbraw/zinc/84/08/74/963840874.db2.gz ZTSLOILLTVIENU-KRWDZBQOSA-N 2 0 293.455 1.663 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2C[C@H]([NH2+]CC3CC3)C2)C1 ZINC001440380089 964007870 /nfs/dbraw/zinc/00/78/70/964007870.db2.gz WGPZUQRUZMHLTL-KKUMJFAQSA-N 2 0 279.428 1.223 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CC[C@@H](C)F ZINC001440446763 964050614 /nfs/dbraw/zinc/05/06/14/964050614.db2.gz HACYXSWIHQUCTR-HZSPNIEDSA-N 2 0 287.423 1.655 10 0 CDAERP CC[C@H](F)C[NH2+][C@@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001442151730 964889592 /nfs/dbraw/zinc/88/95/92/964889592.db2.gz YPJOTYNDMRYOBM-KBPBESRZSA-N 2 0 287.423 1.705 10 0 CDAERP C[C@H](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CC1CC1 ZINC001442257861 964962326 /nfs/dbraw/zinc/96/23/26/964962326.db2.gz NFJREGUMKBBRNO-IUODEOHRSA-N 2 0 279.428 1.223 10 0 CDAERP CC[NH2+]Cc1ccc(CNC(=O)CC[NH+](C)C)c(F)c1 ZINC001442270587 964967917 /nfs/dbraw/zinc/96/79/17/964967917.db2.gz NSKMFGCHELPZQK-UHFFFAOYSA-N 2 0 281.375 1.503 10 0 CDAERP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+]Cc1ccccn1 ZINC001442289915 964976241 /nfs/dbraw/zinc/97/62/41/964976241.db2.gz PATIBJMYDYJSTO-CYBMUJFWSA-N 2 0 278.400 1.018 10 0 CDAERP CCC[N@H+](CCF)CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001442967826 965301196 /nfs/dbraw/zinc/30/11/96/965301196.db2.gz MJOCZJFQYZZRSR-OKILXGFUSA-N 2 0 287.423 1.657 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001443850408 965633039 /nfs/dbraw/zinc/63/30/39/965633039.db2.gz DLPLUXISOCBWOS-LSDHHAIUSA-N 2 0 283.460 1.907 10 0 CDAERP CC[NH+](CC)CC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001348341206 965942125 /nfs/dbraw/zinc/94/21/25/965942125.db2.gz ZZJQGGVUSVPACA-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccon1 ZINC001445101811 966099387 /nfs/dbraw/zinc/09/93/87/966099387.db2.gz AGQFPHVINAZQQG-JSGCOSHPSA-N 2 0 294.399 1.001 10 0 CDAERP CC[C@@H](F)C[N@H+](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001445860684 966369677 /nfs/dbraw/zinc/36/96/77/966369677.db2.gz YXBVAROQOFYHOM-CHWSQXEVSA-N 2 0 285.407 1.267 10 0 CDAERP O=C(N[C@H](C[NH2+]CC1CC1)C1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001445959253 966401885 /nfs/dbraw/zinc/40/18/85/966401885.db2.gz YIXVEFQRBQGUSJ-JKSUJKDBSA-N 2 0 291.439 1.223 10 0 CDAERP COC(=O)c1cnc(CNCC2=CC[N@H+](C)CC2)s1 ZINC001350317728 966632206 /nfs/dbraw/zinc/63/22/06/966632206.db2.gz YIUSSIXJWCGADN-UHFFFAOYSA-N 2 0 281.381 1.281 10 0 CDAERP CC(C)CC[NH2+][C@H]1CN(C(=O)CCc2c[nH]cn2)C[C@@H]1C ZINC001447543943 966813906 /nfs/dbraw/zinc/81/39/06/966813906.db2.gz MRAYSWQMXRQWGJ-ZFWWWQNUSA-N 2 0 292.427 1.825 10 0 CDAERP CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C(C)(C)n1cnc(C)c1 ZINC001448598560 967165237 /nfs/dbraw/zinc/16/52/37/967165237.db2.gz POEMPZUEQOFGFY-CQSZACIVSA-N 2 0 292.427 1.773 10 0 CDAERP C[C@H](C(=O)N1CCC(C)(C)[NH2+]C(C)(C)C1)[NH+](C)C ZINC001353368177 967929121 /nfs/dbraw/zinc/92/91/21/967929121.db2.gz DYGXHGJMKSXYJI-LLVKDONJSA-N 2 0 255.406 1.316 10 0 CDAERP C[C@H]1CCC[C@@H](C[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC001460339570 969499686 /nfs/dbraw/zinc/49/96/86/969499686.db2.gz MSRBDSMUELTPIC-LSDHHAIUSA-N 2 0 281.444 1.519 10 0 CDAERP CCN(C)C(=O)CC[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001460971063 969579811 /nfs/dbraw/zinc/57/98/11/969579811.db2.gz IPWUSUUFOUJWFF-CALCHBBNSA-N 2 0 293.455 1.663 10 0 CDAERP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC1=[NH+]CCCCN1 ZINC000849217002 969917369 /nfs/dbraw/zinc/91/73/69/969917369.db2.gz UDHAUBAUJXDATM-LBPRGKRZSA-N 2 0 252.406 1.436 10 0 CDAERP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C[NH2+]CC1CCC1 ZINC001495787648 972630834 /nfs/dbraw/zinc/63/08/34/972630834.db2.gz YZPIXNXBUMMFMS-DZGCQCFKSA-N 2 0 281.444 1.470 10 0 CDAERP C[C@H](C[NH2+]CC1CCCC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001496230157 972848142 /nfs/dbraw/zinc/84/81/42/972848142.db2.gz RGZLFMSNJXIJLZ-HIFRSBDPSA-N 2 0 281.444 1.565 10 0 CDAERP CCC[NH2+][C@H](C)C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001373007135 973222887 /nfs/dbraw/zinc/22/28/87/973222887.db2.gz LOXSRGBEXAXSLC-CABCVRRESA-N 2 0 295.471 1.955 10 0 CDAERP CCN(CC[NH2+]Cc1cc(C)no1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001497434931 973346489 /nfs/dbraw/zinc/34/64/89/973346489.db2.gz VPSQJBTUDDZMDR-CQSZACIVSA-N 2 0 294.399 1.015 10 0 CDAERP CCC[NH2+]CCN(CC)C(=O)C[N@H+](C)CC(C)(C)C ZINC001497455291 973355937 /nfs/dbraw/zinc/35/59/37/973355937.db2.gz PLCDJLWTXXGNBL-UHFFFAOYSA-N 2 0 271.449 1.812 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)COC2CC[NH+](C)CC2)CC[N@@H+]1CC ZINC001417827002 973406083 /nfs/dbraw/zinc/40/60/83/973406083.db2.gz PIFYKNLATCSASI-LSDHHAIUSA-N 2 0 297.443 1.086 10 0 CDAERP COCCC[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001497661075 973455303 /nfs/dbraw/zinc/45/53/03/973455303.db2.gz CRGIQLXULNHUNP-WFVIONGDSA-N 2 0 297.443 1.015 10 0 CDAERP C[NH+](C)CCC(=O)NC/C=C\C[NH2+]CC1CCC1 ZINC001497673572 973459899 /nfs/dbraw/zinc/45/98/99/973459899.db2.gz FWGKPNPKTSETBF-ARJAWSKDSA-N 2 0 253.390 1.000 10 0 CDAERP CC(C)C[NH2+]C/C=C\CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001497681895 973462033 /nfs/dbraw/zinc/46/20/33/973462033.db2.gz VZWDBJHZQHFSOL-FPLPWBNLSA-N 2 0 283.460 1.882 10 0 CDAERP CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001497728171 973480998 /nfs/dbraw/zinc/48/09/98/973480998.db2.gz ASPDQWZPEKUXMG-JBZXTQMFSA-N 2 0 281.444 1.779 10 0 CDAERP C[C@H](C[NH2+]Cc1ccccc1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001497983367 973599097 /nfs/dbraw/zinc/59/90/97/973599097.db2.gz CNWJBAGWEGHKIH-HIFRSBDPSA-N 2 0 275.396 1.233 10 0 CDAERP CC(C)CCC[NH2+]C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001498160123 973720183 /nfs/dbraw/zinc/72/01/83/973720183.db2.gz IJZSELTVHPFICQ-AWEZNQCLSA-N 2 0 281.444 1.613 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001418297507 973733592 /nfs/dbraw/zinc/73/35/92/973733592.db2.gz GECIRYSQZIIDAO-KBPBESRZSA-N 2 0 299.459 1.238 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001418298116 973737629 /nfs/dbraw/zinc/73/76/29/973737629.db2.gz JGZRTYJAFMNEOB-CYBMUJFWSA-N 2 0 283.460 1.859 10 0 CDAERP CC[C@H](C(=O)N1CC[C@H](C[NH2+]C(C)C)C1)[NH+](CC)CC ZINC001418363816 973767952 /nfs/dbraw/zinc/76/79/52/973767952.db2.gz VMVOIYTWPNERJY-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@H]([NH2+]CC1CC1)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001374388573 973916123 /nfs/dbraw/zinc/91/61/23/973916123.db2.gz FPPGKHURCNEBTI-ZFWWWQNUSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH2+]C[C@H](C)O ZINC001498620948 974002151 /nfs/dbraw/zinc/00/21/51/974002151.db2.gz KVFXFGZMKBCLCB-GJZGRUSLSA-N 2 0 299.459 1.068 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]Cc1ccccn1)C1CC1 ZINC001498815411 974068582 /nfs/dbraw/zinc/06/85/82/974068582.db2.gz CHCYNCJLCRERPG-OAHLLOKOSA-N 2 0 290.411 1.018 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001498873731 974089422 /nfs/dbraw/zinc/08/94/22/974089422.db2.gz JNTVGBAGQPVTLF-HUUCEWRRSA-N 2 0 281.444 1.611 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1csc(C)c1)[NH+](C)C ZINC001374776635 974114133 /nfs/dbraw/zinc/11/41/33/974114133.db2.gz NLAVBLYACHJFRQ-BXUZGUMPSA-N 2 0 297.468 1.991 10 0 CDAERP Cc1nc(C)c(C[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C)s1 ZINC001374811444 974134415 /nfs/dbraw/zinc/13/44/15/974134415.db2.gz QPTHFJDHKGFCQJ-SNVBAGLBSA-N 2 0 298.456 1.306 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@@]2(CC[N@H+](C/C=C\Cl)C2)C1 ZINC001499611469 974275047 /nfs/dbraw/zinc/27/50/47/974275047.db2.gz ZZJHQKJYVMDFGT-YFUKIHRRSA-N 2 0 299.846 1.615 10 0 CDAERP CC(C)CCC[NH+]1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001499742598 974296593 /nfs/dbraw/zinc/29/65/93/974296593.db2.gz RAPAKEWPXOYUEJ-UHFFFAOYSA-N 2 0 269.433 1.517 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001375349877 974350087 /nfs/dbraw/zinc/35/00/87/974350087.db2.gz FBQNHKWSRRYOOZ-LSDHHAIUSA-N 2 0 299.434 1.657 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC2(C1)CC[NH+](CCC)CC2 ZINC001501747006 974633821 /nfs/dbraw/zinc/63/38/21/974633821.db2.gz YTQFIPNZSDNACV-UHFFFAOYSA-N 2 0 281.444 1.663 10 0 CDAERP C[C@H](F)CC[NH2+]C1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001376672258 974707963 /nfs/dbraw/zinc/70/79/63/974707963.db2.gz VINFKEUFKXEPET-NFOMZHRRSA-N 2 0 299.434 1.847 10 0 CDAERP CC(C)[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001376741402 974751964 /nfs/dbraw/zinc/75/19/64/974751964.db2.gz CRZCYPXLKGPGKE-DZGCQCFKSA-N 2 0 281.444 1.896 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccsc1 ZINC001376789658 974769600 /nfs/dbraw/zinc/76/96/00/974769600.db2.gz BWQJIXMZFMSXPT-OCCSQVGLSA-N 2 0 295.452 1.827 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)[C@H](CC)[NH+](C)C)CCC1 ZINC001376808126 974777399 /nfs/dbraw/zinc/77/73/99/974777399.db2.gz GRPHWWISBWJLKO-OLZOCXBDSA-N 2 0 287.423 1.703 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001376903451 974810915 /nfs/dbraw/zinc/81/09/15/974810915.db2.gz RCPVGGLHQGEMMK-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP Cc1oncc1C[NH2+][C@H](C)CCNC(=O)C[NH+]1CCCC1 ZINC001377108207 974884954 /nfs/dbraw/zinc/88/49/54/974884954.db2.gz LCEMDLGBNGWWNA-GFCCVEGCSA-N 2 0 294.399 1.063 10 0 CDAERP C[N@H+](CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)CC1CC1 ZINC001377221248 974934333 /nfs/dbraw/zinc/93/43/33/974934333.db2.gz GCNLWWVMMWICJP-MRXNPFEDSA-N 2 0 299.434 1.657 10 0 CDAERP CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001505633769 974945051 /nfs/dbraw/zinc/94/50/51/974945051.db2.gz SPVMMWNUNIYGRR-UONOGXRCSA-N 2 0 299.459 1.238 10 0 CDAERP C[N@H+](CCNC(=O)C[NH+]1CCCC1)CC[C@@H]1CCCCO1 ZINC001377260423 974948069 /nfs/dbraw/zinc/94/80/69/974948069.db2.gz ITSBYYVYEHIPMZ-HNNXBMFYSA-N 2 0 297.443 1.089 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+](C/C=C\Cl)C1 ZINC001377452929 975033948 /nfs/dbraw/zinc/03/39/48/975033948.db2.gz NJSCCLHFTZHKSP-GCLPIYDQSA-N 2 0 273.808 1.129 10 0 CDAERP CCCC[N@@H+]1CC[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001377467430 975039172 /nfs/dbraw/zinc/03/91/72/975039172.db2.gz JUSASVRIAPQSEK-CABCVRRESA-N 2 0 281.444 1.566 10 0 CDAERP CCc1nccn1[C@@H](C)CC(=O)NC[C@@H](C)[N@@H+](C)CC ZINC001505921815 975044330 /nfs/dbraw/zinc/04/43/30/975044330.db2.gz ALOMUKOSBYEAJL-QWHCGFSZSA-N 2 0 280.416 1.853 10 0 CDAERP CC[C@H](C)C[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001377556371 975073347 /nfs/dbraw/zinc/07/33/47/975073347.db2.gz CLSROGTZTURPNI-AWEZNQCLSA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC[C@@H]1CC[NH+](CCC2CC2)C1 ZINC001377732096 975121896 /nfs/dbraw/zinc/12/18/96/975121896.db2.gz YPCXAHHDOUDOHB-MRXNPFEDSA-N 2 0 295.471 1.955 10 0 CDAERP C[N@H+](CCCF)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001377773466 975136341 /nfs/dbraw/zinc/13/63/41/975136341.db2.gz WQHJZKFTPKMFHY-UONOGXRCSA-N 2 0 285.407 1.078 10 0 CDAERP CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CCC(C)C ZINC001378299305 975324213 /nfs/dbraw/zinc/32/42/13/975324213.db2.gz HTVRWXKAYVCQKJ-HNNXBMFYSA-N 2 0 283.460 1.859 10 0 CDAERP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cccnc1C ZINC001378304324 975325158 /nfs/dbraw/zinc/32/51/58/975325158.db2.gz QGUQAMNCJOKSCL-OAHLLOKOSA-N 2 0 292.427 1.326 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CCC1CC1 ZINC001507074744 975326155 /nfs/dbraw/zinc/32/61/55/975326155.db2.gz WKXCYSURRJTMPL-BBRMVZONSA-N 2 0 293.455 1.565 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@H]1C[C@H]([NH2+]CCF)C1 ZINC001397138270 975476974 /nfs/dbraw/zinc/47/69/74/975476974.db2.gz DAQLLWDIXSPDID-YXSUXZIUSA-N 2 0 285.407 1.313 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)[C@@H](C)CNCc1nocc1C ZINC001378835868 975512270 /nfs/dbraw/zinc/51/22/70/975512270.db2.gz RLNYGINQSDMONY-ZDUSSCGKSA-N 2 0 296.415 1.261 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH+](C)C(C)C ZINC001507639633 975515586 /nfs/dbraw/zinc/51/55/86/975515586.db2.gz KWZIFBLYYBZMNL-GJZGRUSLSA-N 2 0 299.459 1.020 10 0 CDAERP CC(C)C[C@@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001404987667 975575460 /nfs/dbraw/zinc/57/54/60/975575460.db2.gz MGPBBGNNQSUJOE-PMPSAXMXSA-N 2 0 295.471 1.905 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1CC[N@H+](CC[C@H](C)F)C1)[NH+](C)C ZINC001405064248 975612565 /nfs/dbraw/zinc/61/25/65/975612565.db2.gz BBFOZXIKVXLMDH-YNEHKIRRSA-N 2 0 273.396 1.265 10 0 CDAERP CC(C)[NH+](C)CC(=O)NCC1=CC[N@H+](CC[C@H](C)F)CC1 ZINC001508230727 975646760 /nfs/dbraw/zinc/64/67/60/975646760.db2.gz YKTRNYDPYVWEAG-AWEZNQCLSA-N 2 0 299.434 1.823 10 0 CDAERP Cc1cc(C[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C)c(C)s1 ZINC001401641705 975749806 /nfs/dbraw/zinc/74/98/06/975749806.db2.gz VFKUTVRWWOKMSY-LLVKDONJSA-N 2 0 297.468 1.911 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001389506341 975875476 /nfs/dbraw/zinc/87/54/76/975875476.db2.gz KILZSDQQLQCSSF-GJZGRUSLSA-N 2 0 299.434 1.801 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CCN(Cc2cnoc2C)C1)[NH+](C)C ZINC001389510463 975879810 /nfs/dbraw/zinc/87/98/10/975879810.db2.gz LZGYPBPPOZNXCF-UONOGXRCSA-N 2 0 294.399 1.014 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@]12CCC[C@@H]1[NH+](C(C)C)CC2 ZINC001379637142 975978252 /nfs/dbraw/zinc/97/82/52/975978252.db2.gz SJSCGMAJGJSOBV-GOEBONIOSA-N 2 0 281.444 1.850 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]([NH2+]C/C=C/Cl)C1CC1 ZINC001398434229 975983636 /nfs/dbraw/zinc/98/36/36/975983636.db2.gz JBHSYKIVNCDJTD-QBODLPLBSA-N 2 0 273.808 1.175 10 0 CDAERP CC(C)CCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001379788252 976079030 /nfs/dbraw/zinc/07/90/30/976079030.db2.gz WDGSODCACITBIP-LSDHHAIUSA-N 2 0 283.460 1.811 10 0 CDAERP CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001398696775 976113698 /nfs/dbraw/zinc/11/36/98/976113698.db2.gz RNGVWHLYEWFSLP-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](C(=O)NC[C@H]1CC[N@@H+]1CCC(C)(C)C)[NH+](C)C ZINC001380007813 976180236 /nfs/dbraw/zinc/18/02/36/976180236.db2.gz GXUMFSADHPBQLT-KGLIPLIRSA-N 2 0 283.460 1.953 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NC2CCC([NH2+]C/C=C/Cl)CC2)C1 ZINC001398858108 976182980 /nfs/dbraw/zinc/18/29/80/976182980.db2.gz ZODOTYQVNWASNX-LHOYBVDHSA-N 2 0 299.846 1.708 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@H]1C[NH+](CC)CCC1(F)F ZINC001402239495 976194132 /nfs/dbraw/zinc/19/41/32/976194132.db2.gz IDKAVFXLWDHZTF-LBPRGKRZSA-N 2 0 291.386 1.422 10 0 CDAERP Cc1ncoc1C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001406481415 976217469 /nfs/dbraw/zinc/21/74/69/976217469.db2.gz CSDHKEACUCUBCF-WCQYABFASA-N 2 0 294.399 1.062 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]([NH2+]CCC2CC2)C2CC2)C1 ZINC001402321379 976234489 /nfs/dbraw/zinc/23/44/89/976234489.db2.gz DTFABTIZTHKDHD-BBRMVZONSA-N 2 0 293.455 1.613 10 0 CDAERP CCC[NH+]1CCC([C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001380135722 976257547 /nfs/dbraw/zinc/25/75/47/976257547.db2.gz YFJBGPICDLBXMI-HUUCEWRRSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](C)C[NH2+]C1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001380174518 976277532 /nfs/dbraw/zinc/27/75/32/976277532.db2.gz ADHUKVCHFVGBGU-NFOMZHRRSA-N 2 0 281.444 1.707 10 0 CDAERP O=C(C[NH+]1CCCC1)NCC1([NH2+]Cc2ccccc2)CC1 ZINC001380169982 976278689 /nfs/dbraw/zinc/27/86/89/976278689.db2.gz PKQBKKZSQRWPCS-UHFFFAOYSA-N 2 0 287.407 1.521 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2C(C)C ZINC001380198236 976285862 /nfs/dbraw/zinc/28/58/62/976285862.db2.gz FSWZPXDNRPRLTK-GASCZTMLSA-N 2 0 281.444 1.802 10 0 CDAERP CC(C)CC[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001406661037 976343217 /nfs/dbraw/zinc/34/32/17/976343217.db2.gz GEUVNPKBKIBUPG-GJZGRUSLSA-N 2 0 283.460 1.811 10 0 CDAERP C[N@H+](CCCF)[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001390640666 976406888 /nfs/dbraw/zinc/40/68/88/976406888.db2.gz VMCVCNXJZILZBI-AWEZNQCLSA-N 2 0 297.418 1.365 10 0 CDAERP CO[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001402648507 976422984 /nfs/dbraw/zinc/42/29/84/976422984.db2.gz ZFVKJUUGVYLKBY-SOUVJXGZSA-N 2 0 297.443 1.134 10 0 CDAERP CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1coc(C)n1)[NH+](C)C ZINC001390711218 976448875 /nfs/dbraw/zinc/44/88/75/976448875.db2.gz ZAQZSRVJFOPYAU-RISCZKNCSA-N 2 0 296.415 1.308 10 0 CDAERP C[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)CC1CCCCC1 ZINC001390842698 976555930 /nfs/dbraw/zinc/55/59/30/976555930.db2.gz BSWYJDQOOHGXPF-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)[NH2+]C[C@]1(C)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001407233864 976612212 /nfs/dbraw/zinc/61/22/12/976612212.db2.gz JLAJVAFPRPKKBZ-HOCLYGCPSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]1CC[N@H+](CCCF)C1)[NH+](C)C ZINC001391105050 976695049 /nfs/dbraw/zinc/69/50/49/976695049.db2.gz LBZSQSILQBHDOL-QWHCGFSZSA-N 2 0 273.396 1.124 10 0 CDAERP CC(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001381318577 976758048 /nfs/dbraw/zinc/75/80/48/976758048.db2.gz NXVOLATXPNSIHR-GJZGRUSLSA-N 2 0 281.444 1.517 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001391313450 976808948 /nfs/dbraw/zinc/80/89/48/976808948.db2.gz DPLCJHYOTHUSKT-XHSDSOJGSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccns1 ZINC001381432935 976823871 /nfs/dbraw/zinc/82/38/71/976823871.db2.gz GPDGYHNCKGZYIX-NWDGAFQWSA-N 2 0 298.456 1.468 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@@H](C[NH2+]Cc2cscn2)C1 ZINC001403245875 976832439 /nfs/dbraw/zinc/83/24/39/976832439.db2.gz KLCBMTBFSAIVCR-LBPRGKRZSA-N 2 0 296.440 1.033 10 0 CDAERP COC[C@@H](C)[N@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001403316340 976878588 /nfs/dbraw/zinc/87/85/88/976878588.db2.gz BBAUZVOXDLFDFY-CABCVRRESA-N 2 0 297.443 1.040 10 0 CDAERP CCC[N@@H+]1CC[C@@H](N(C)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001391617212 976992065 /nfs/dbraw/zinc/99/20/65/976992065.db2.gz MTKJGXPONPWQOX-HUUCEWRRSA-N 2 0 281.444 1.804 10 0 CDAERP Cc1cc(C[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C(C)C)on1 ZINC001403626337 977110899 /nfs/dbraw/zinc/11/08/99/977110899.db2.gz RGZAWUWGCLHTJZ-ZDUSSCGKSA-N 2 0 296.415 1.260 10 0 CDAERP C[C@H]1C[C@@H](C[N@H+](C)CCNC(=O)CCC[NH+](C)C)CCO1 ZINC001403672434 977136167 /nfs/dbraw/zinc/13/61/67/977136167.db2.gz OXRVUXXGSKLOCP-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP CCN(C(=O)C[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCCF)C1 ZINC001400757132 977173229 /nfs/dbraw/zinc/17/32/29/977173229.db2.gz DAIFZXGVOGPYNT-HUUCEWRRSA-N 2 0 299.434 1.611 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]C/C=C\Cl ZINC001400803422 977197754 /nfs/dbraw/zinc/19/77/54/977197754.db2.gz LAMRMFOOHMRLSO-CRHJNNSXSA-N 2 0 299.846 1.565 10 0 CDAERP CC[C@H](C)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C ZINC001403816529 977212437 /nfs/dbraw/zinc/21/24/37/977212437.db2.gz IEDAXEXWIAAXLV-LSDHHAIUSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C)OC ZINC001403836925 977224423 /nfs/dbraw/zinc/22/44/23/977224423.db2.gz WKUQLLPOTJTDFH-ZIAGYGMSSA-N 2 0 299.459 1.190 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C(C)(C)C ZINC001382526969 977301397 /nfs/dbraw/zinc/30/13/97/977301397.db2.gz ZHLQGWIOAOHCMS-QWHCGFSZSA-N 2 0 289.439 1.807 10 0 CDAERP CC(C)C[C@H](C)C[NH2+]C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001392615113 977505066 /nfs/dbraw/zinc/50/50/66/977505066.db2.gz RPJXSAZJBZVFQL-GJZGRUSLSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N[C@@]2(C)CC[NH+](CC3CC3)C2)C1 ZINC001393119075 977713129 /nfs/dbraw/zinc/71/31/29/977713129.db2.gz UIAKAIZSCGEGHJ-BBRMVZONSA-N 2 0 279.428 1.319 10 0 CDAERP CC[NH2+][C@H](C)[C@@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001393962037 977985003 /nfs/dbraw/zinc/98/50/03/977985003.db2.gz YKAFCGVTXRIEMD-ZIAGYGMSSA-N 2 0 291.439 1.907 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cc(C)no1 ZINC001394003243 978003415 /nfs/dbraw/zinc/00/34/15/978003415.db2.gz RWSMZXLVSHCXRG-OLZOCXBDSA-N 2 0 296.415 1.308 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC1CC1 ZINC001394068445 978049113 /nfs/dbraw/zinc/04/91/13/978049113.db2.gz SSVVDSZSCJYMQZ-HIFRSBDPSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1C[NH+](CC2CC2)C1 ZINC001394253114 978118238 /nfs/dbraw/zinc/11/82/38/978118238.db2.gz TZTGFSKSTAUNCO-CHWSQXEVSA-N 2 0 279.428 1.175 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1[C@H]2C[NH+](CC3CCC3)C[C@H]21 ZINC001394335724 978135030 /nfs/dbraw/zinc/13/50/30/978135030.db2.gz FZQNCTCQGYTAII-PHZGNYQRSA-N 2 0 293.455 1.421 10 0 CDAERP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]CC1CC(C)(C)C1 ZINC001394556647 978202193 /nfs/dbraw/zinc/20/21/93/978202193.db2.gz FXLRATWXSXZUGU-CQSZACIVSA-N 2 0 295.471 1.955 10 0 CDAERP COCC[NH2+][C@H](C)[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001674727894 1173998395 /nfs/dbraw/zinc/99/83/95/1173998395.db2.gz BPHDZMFJQYVQPS-OLZOCXBDSA-N 2 0 287.448 1.094 10 0 CDAERP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CCC([NH2+]CCCF)CC1 ZINC001674812349 1174012003 /nfs/dbraw/zinc/01/20/03/1174012003.db2.gz POADVQHSGWJOID-WLYUNCDWSA-N 2 0 299.434 1.657 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)C(C)C ZINC001674937468 1174036841 /nfs/dbraw/zinc/03/68/41/1174036841.db2.gz GJNAQPZAPWDFHZ-KBPBESRZSA-N 2 0 269.433 1.706 10 0 CDAERP CCOCCC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1C ZINC001676887442 1174285545 /nfs/dbraw/zinc/28/55/45/1174285545.db2.gz OSGJHMKJGQGYLH-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP CCCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC1(C)C ZINC001677043257 1174310403 /nfs/dbraw/zinc/31/04/03/1174310403.db2.gz OFHPJHQLOAXDLW-CQSZACIVSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H](C[NH2+]CCF)CC2)C1 ZINC001570044586 1170062732 /nfs/dbraw/zinc/06/27/32/1170062732.db2.gz HBJSBENCHZAXAB-RBSFLKMASA-N 2 0 299.434 1.562 10 0 CDAERP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C1([NH+](C)C)CCCC1 ZINC001570491417 1170171104 /nfs/dbraw/zinc/17/11/04/1170171104.db2.gz SXSWWWHOBIALGL-ZDUSSCGKSA-N 2 0 267.417 1.413 10 0 CDAERP CC(C)[C@H](C(=O)NC1CC(C[NH2+]CCF)C1)[NH+]1CCCC1 ZINC001570582747 1170195753 /nfs/dbraw/zinc/19/57/53/1170195753.db2.gz VBLZVLMAROOCNC-YMAMQOFZSA-N 2 0 299.434 1.561 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CC=C(C)C ZINC001570648071 1170222131 /nfs/dbraw/zinc/22/21/31/1170222131.db2.gz SQRMKCXQFBBVAX-ZIAGYGMSSA-N 2 0 269.433 1.777 10 0 CDAERP CC(C)=CC[N@@H+](C)[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001570733950 1170259238 /nfs/dbraw/zinc/25/92/38/1170259238.db2.gz KFOTZQLARVYRCU-AWEZNQCLSA-N 2 0 281.444 1.731 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CCC1CC1 ZINC001570734143 1170260699 /nfs/dbraw/zinc/26/06/99/1170260699.db2.gz NTQZUDPMUUWXIF-LBPRGKRZSA-N 2 0 255.406 1.175 10 0 CDAERP CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001571254147 1170355279 /nfs/dbraw/zinc/35/52/79/1170355279.db2.gz WEPNGHLAEHEVHA-UONOGXRCSA-N 2 0 269.433 1.754 10 0 CDAERP C[NH+]1CCC(CC(=O)N[C@H]2CC[C@@H](C[NH2+]CCF)C2)CC1 ZINC001571545236 1170471439 /nfs/dbraw/zinc/47/14/39/1170471439.db2.gz ZKNLNFBULJOAGP-CABCVRRESA-N 2 0 299.434 1.562 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000601006642 342458761 /nfs/dbraw/zinc/45/87/61/342458761.db2.gz NNJLNUYZPDKDMQ-HZPDHXFCSA-N 2 0 293.455 1.948 10 0 CDAERP O=C(CC[NH2+]C1CC1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000517245919 260130776 /nfs/dbraw/zinc/13/07/76/260130776.db2.gz FTAJMHWVDSYPQT-OCCSQVGLSA-N 2 0 265.401 1.119 10 0 CDAERP CC[NH+](CC)CCSCC(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000590445644 342546412 /nfs/dbraw/zinc/54/64/12/342546412.db2.gz QJOBWXNIZGYPTO-KBPBESRZSA-N 2 0 299.484 1.224 10 0 CDAERP C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]CCC1(C[NH3+])CC1 ZINC000650714228 398156581 /nfs/dbraw/zinc/15/65/81/398156581.db2.gz WKNMYJJPTHAWMS-CYBMUJFWSA-N 2 0 296.436 1.567 10 0 CDAERP CC(C)C[N@H+](C)CCCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000650740628 398171690 /nfs/dbraw/zinc/17/16/90/398171690.db2.gz NNCJYMMVDONFNK-GVDBMIGSSA-N 2 0 297.487 1.711 10 0 CDAERP Nc1nc(N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c2c([nH+]1)CCCC2 ZINC000647707440 398172833 /nfs/dbraw/zinc/17/28/33/398172833.db2.gz OIWVRBINDOZFDC-PHIMTYICSA-N 2 0 273.384 1.099 10 0 CDAERP CC1(C)[C@H]([NH2+]CCC2(C[NH3+])CC2)[C@@H]2CCCO[C@@H]21 ZINC000650745279 398173084 /nfs/dbraw/zinc/17/30/84/398173084.db2.gz CUKBKWFUJBROPA-XQQFMLRXSA-N 2 0 252.402 1.909 10 0 CDAERP C[N@@H+](Cc1cc[nH+]c(NN)c1)C[C@H]1CCCOC1 ZINC000082545324 178089186 /nfs/dbraw/zinc/08/91/86/178089186.db2.gz ILADUZFIZQETOO-GFCCVEGCSA-N 2 0 250.346 1.226 10 0 CDAERP CC(C)C[C@H](C[NH3+])NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000566201675 370645263 /nfs/dbraw/zinc/64/52/63/370645263.db2.gz SXYHJLPYPFIEFX-KGLIPLIRSA-N 2 0 269.433 1.741 10 0 CDAERP C[NH+](C)CCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000179220670 282105221 /nfs/dbraw/zinc/10/52/21/282105221.db2.gz DYTACVPVNFWIKT-GJZGRUSLSA-N 2 0 290.411 1.293 10 0 CDAERP C(CN1CC[C@@H](C[NH+]2CCCC2)C1)OC1CCOCC1 ZINC000625184017 342038852 /nfs/dbraw/zinc/03/88/52/342038852.db2.gz DAWBYMLODBRGRG-HNNXBMFYSA-N 2 0 282.428 1.600 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCN(CCOC2CCOCC2)C1 ZINC000625205629 342040483 /nfs/dbraw/zinc/04/04/83/342040483.db2.gz BPUGDDOKYKYPJJ-OAHLLOKOSA-N 2 0 284.444 1.846 10 0 CDAERP C[C@H]1CC[N@H+](CCOC2CCOCC2)C[C@H]1n1ccnc1 ZINC000625267348 342063046 /nfs/dbraw/zinc/06/30/46/342063046.db2.gz XLOURUXFQSBLBU-GOEBONIOSA-N 2 0 293.411 1.962 10 0 CDAERP [NH3+]CCN1CC[NH2+]C[C@H]1c1cccc2cnccc21 ZINC000616604144 361820729 /nfs/dbraw/zinc/82/07/29/361820729.db2.gz LKDZSJAFEHUYLN-HNNXBMFYSA-N 2 0 256.353 1.140 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000136204833 342071541 /nfs/dbraw/zinc/07/15/41/342071541.db2.gz NIMXWFQNGFCCFM-HIFRSBDPSA-N 2 0 267.417 1.365 10 0 CDAERP CN(CC1CC[NH+](C)CC1)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000590980769 342612989 /nfs/dbraw/zinc/61/29/89/342612989.db2.gz UTSLOWMZGOKFSB-AWEZNQCLSA-N 2 0 282.432 1.064 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCCC[NH+](C)CC(C)C ZINC000650909254 398262035 /nfs/dbraw/zinc/26/20/35/398262035.db2.gz PTIIPTOFOKVGKA-OAHLLOKOSA-N 2 0 298.475 1.748 10 0 CDAERP CCOC(=O)CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592479417 342699273 /nfs/dbraw/zinc/69/92/73/342699273.db2.gz XKIIURJHZAJEOH-STQMWFEESA-N 2 0 254.374 1.404 10 0 CDAERP CN(C(=O)CC[C@H]1CC[NH2+]C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000584350128 361869488 /nfs/dbraw/zinc/86/94/88/361869488.db2.gz PTDJBETWZHMQLV-ICIURTGMSA-N 2 0 265.401 1.118 10 0 CDAERP CCO[C@@H](C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1)C1CC1 ZINC000625446820 342167217 /nfs/dbraw/zinc/16/72/17/342167217.db2.gz UCJVEKUBSCMXEK-LSDHHAIUSA-N 2 0 252.402 1.829 10 0 CDAERP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CCOCCC[NH3+] ZINC000629398606 361931165 /nfs/dbraw/zinc/93/11/65/361931165.db2.gz VQHOZRUHBZTDHX-AWEZNQCLSA-N 2 0 293.411 1.667 10 0 CDAERP COCc1cccc(C[NH2+]CCOCCC[NH3+])c1 ZINC000629400364 361938146 /nfs/dbraw/zinc/93/81/46/361938146.db2.gz VJCSVFMPSYBRDB-UHFFFAOYSA-N 2 0 252.358 1.288 10 0 CDAERP CC[C@H](C[NH3+])C1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000309954568 539031410 /nfs/dbraw/zinc/03/14/10/539031410.db2.gz HYHBEWJTUVMWEJ-OAHLLOKOSA-N 2 0 262.397 1.998 10 0 CDAERP [NH3+][C@H](C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000334244208 539063387 /nfs/dbraw/zinc/06/33/87/539063387.db2.gz ZGWDEFWDNKMRIW-HOCLYGCPSA-N 2 0 273.380 1.289 10 0 CDAERP [NH3+][C@H]1CCC[C@@H]([NH2+]CCc2cnc(C3CC3)nc2)C1 ZINC000565492846 539091441 /nfs/dbraw/zinc/09/14/41/539091441.db2.gz XTOXQLRXDRKNNF-UONOGXRCSA-N 2 0 260.385 1.756 10 0 CDAERP COC(=O)CCCC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000600710852 342243522 /nfs/dbraw/zinc/24/35/22/342243522.db2.gz QGKQGQJZXZOMMG-CQSZACIVSA-N 2 0 254.374 1.405 10 0 CDAERP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]CCC[NH+](C)C ZINC000595007646 342989791 /nfs/dbraw/zinc/98/97/91/342989791.db2.gz PNCYSBXZEVZDAI-GFCCVEGCSA-N 2 0 258.406 1.896 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000594921719 342987632 /nfs/dbraw/zinc/98/76/32/342987632.db2.gz RWHGBALLIJZSDR-GBJTYRQASA-N 2 0 282.428 1.894 10 0 CDAERP C[NH+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000405055915 349779442 /nfs/dbraw/zinc/77/94/42/349779442.db2.gz YGMSDKWVFBHWEH-UONOGXRCSA-N 2 0 267.417 1.319 10 0 CDAERP CCSCC[C@@H](C)[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000595884949 343180335 /nfs/dbraw/zinc/18/03/35/343180335.db2.gz JQQSSMLZHOEHMH-OLZOCXBDSA-N 2 0 272.458 1.971 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000629515133 362129859 /nfs/dbraw/zinc/12/98/59/362129859.db2.gz YWGDVBJKDDHQEY-OSMBCOQSSA-N 2 0 290.407 1.470 10 0 CDAERP CC(C)CO[C@H]1C[C@@H]([NH2+]CC2([NH3+])CCOCC2)C1(C)C ZINC000629524112 362144649 /nfs/dbraw/zinc/14/46/49/362144649.db2.gz LPQJILBEVQMQAB-KGLIPLIRSA-N 2 0 284.444 1.924 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000629530052 362161193 /nfs/dbraw/zinc/16/11/93/362161193.db2.gz UEPJGCFOCPORAB-ZDUSSCGKSA-N 2 0 270.323 1.778 10 0 CDAERP CCOC(=O)C1([C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)CC[NH2+]CC1 ZINC000596652839 343371700 /nfs/dbraw/zinc/37/17/00/343371700.db2.gz JBLSMMLDDXVCFQ-ZIAGYGMSSA-N 3 0 299.459 1.271 10 0 CDAERP CC(C)CC[C@H](O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366536079 362169830 /nfs/dbraw/zinc/16/98/30/362169830.db2.gz QGFOAWYQLQHYEI-GJZGRUSLSA-N 2 0 254.418 1.811 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(c2nc(N)[nH+]c3c2CCCC3)C1 ZINC000645181541 362227341 /nfs/dbraw/zinc/22/73/41/362227341.db2.gz JWGVQHZUNUEJRG-LBPRGKRZSA-N 2 0 289.427 1.688 10 0 CDAERP Cc1cc(C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cs1 ZINC000294990635 199287660 /nfs/dbraw/zinc/28/76/60/199287660.db2.gz HLYSHZDFMPEQLV-LBPRGKRZSA-N 2 0 267.442 1.782 10 0 CDAERP CSC1(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC000597248388 343497867 /nfs/dbraw/zinc/49/78/67/343497867.db2.gz SJFMRLXMQHZTHL-CYBMUJFWSA-N 2 0 272.458 1.925 10 0 CDAERP CSC1(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)CC1 ZINC000597248389 343498137 /nfs/dbraw/zinc/49/81/37/343498137.db2.gz SJFMRLXMQHZTHL-ZDUSSCGKSA-N 2 0 272.458 1.925 10 0 CDAERP [NH3+][C@@H]1CCC[C@H](C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)C1 ZINC000249134626 362345910 /nfs/dbraw/zinc/34/59/10/362345910.db2.gz UESOBKZPHSOEKD-YNEHKIRRSA-N 2 0 265.401 1.247 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000257646414 344370092 /nfs/dbraw/zinc/37/00/92/344370092.db2.gz AIBNZBRGVPOOEN-KGLIPLIRSA-N 2 0 267.417 1.367 10 0 CDAERP NC(=[NH2+])N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000306741829 362439858 /nfs/dbraw/zinc/43/98/58/362439858.db2.gz FBXLWUFYMLVJHD-ZIAGYGMSSA-N 2 0 258.369 1.334 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C2CC[NH2+]CC2)[C@H](C)C1 ZINC000262669306 344697208 /nfs/dbraw/zinc/69/72/08/344697208.db2.gz MFXKRGCYHBXWDE-OCCSQVGLSA-N 2 0 267.417 1.175 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC000617343557 345175803 /nfs/dbraw/zinc/17/58/03/345175803.db2.gz VKUYXNXAJBDZLE-STQMWFEESA-N 2 0 267.417 1.317 10 0 CDAERP CN(CCC[NH2+]Cc1cc2cccnc2o1)CC[NH+](C)C ZINC000623087725 345200160 /nfs/dbraw/zinc/20/01/60/345200160.db2.gz FOFMUAZSJXJWID-UHFFFAOYSA-N 2 0 290.411 1.801 10 0 CDAERP CN(CCC[NH+](C)C)CCNC(=O)[C@H]1CCC(C)(C)C1 ZINC000617764637 345960647 /nfs/dbraw/zinc/96/06/47/345960647.db2.gz AUQUPHCJDFTQMH-AWEZNQCLSA-N 2 0 283.460 1.812 10 0 CDAERP Cc1ccc(C(=O)NCCN(C)CCC[NH+](C)C)c(O)c1 ZINC000617764687 345960894 /nfs/dbraw/zinc/96/08/94/345960894.db2.gz CCGNUOFKGHWAAD-UHFFFAOYSA-N 2 0 293.411 1.314 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CCCn2cccn2)CC1(C)C ZINC000623350340 346078168 /nfs/dbraw/zinc/07/81/68/346078168.db2.gz FMWSSTIONJVAHC-CYBMUJFWSA-N 2 0 250.390 1.736 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623356879 346085271 /nfs/dbraw/zinc/08/52/71/346085271.db2.gz MYFDCQYBEYHKCT-MRXNPFEDSA-N 3 0 296.503 1.476 10 0 CDAERP C[NH+](C)CCCNC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000623366778 346098232 /nfs/dbraw/zinc/09/82/32/346098232.db2.gz IVZIAEQFBCZINP-CQSZACIVSA-N 2 0 282.432 1.254 10 0 CDAERP COCC1CC[NH+](CCCC[C@](C)(O)C[NH3+])CC1 ZINC000085302497 179010738 /nfs/dbraw/zinc/01/07/38/179010738.db2.gz CUIFUPIALYCTKU-AWEZNQCLSA-N 2 0 258.406 1.225 10 0 CDAERP [NH3+]C[C@@](O)(C[NH+]1CCC2(CCCC2)CC1)C1CC1 ZINC000085302814 179011239 /nfs/dbraw/zinc/01/12/39/179011239.db2.gz AZKHDKPZYQMLQG-OAHLLOKOSA-N 2 0 252.402 1.742 10 0 CDAERP CC(C)[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000085367770 179037417 /nfs/dbraw/zinc/03/74/17/179037417.db2.gz NLXBSXFQHMQWNF-GJZGRUSLSA-N 2 0 281.444 1.835 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000085369397 179039130 /nfs/dbraw/zinc/03/91/30/179039130.db2.gz JOVFUYHBLWYOPY-QWHCGFSZSA-N 2 0 255.406 1.160 10 0 CDAERP CCc1nc2c(n1C[C@H](C)C[NH+]1CCCC1)CC[NH2+]C2 ZINC000085572195 179097750 /nfs/dbraw/zinc/09/77/50/179097750.db2.gz ZGXWPGBMFMPCMN-CYBMUJFWSA-N 2 0 276.428 1.823 10 0 CDAERP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623442998 346757420 /nfs/dbraw/zinc/75/74/20/346757420.db2.gz LEEWQYJJRXLBMT-CABCVRRESA-N 3 0 285.476 1.806 10 0 CDAERP CC[C@@](C[NH3+])(C1CC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000086120754 179234918 /nfs/dbraw/zinc/23/49/18/179234918.db2.gz QAVIWKRQSQTWIT-LSDHHAIUSA-N 2 0 251.418 1.674 10 0 CDAERP CC[C@H]1C[NH2+][C@](C)(CC)CN1C1CC[NH+](C)CC1 ZINC000086217834 179249726 /nfs/dbraw/zinc/24/97/26/179249726.db2.gz XYLCEFMAZSHQKR-DZGCQCFKSA-N 2 0 253.434 1.933 10 0 CDAERP CC[C@@H]1C[NH2+][C@H](C2CC2)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223122 179251748 /nfs/dbraw/zinc/25/17/48/179251748.db2.gz SEXBZLYCUMSFPK-YUELXQCFSA-N 2 0 251.418 1.401 10 0 CDAERP CCC1(CC)CN([C@@H]2C[NH+]3CCC2CC3)[C@@H](C)C[NH2+]1 ZINC000086182625 179247782 /nfs/dbraw/zinc/24/77/82/179247782.db2.gz BOFYBAIMVUALEI-DZGCQCFKSA-N 2 0 265.445 1.933 10 0 CDAERP C[C@@H]1C[NH2+]C2(CCCC2)CN1C[C@@H]1CCC[N@H+](C)C1 ZINC000086259259 179258166 /nfs/dbraw/zinc/25/81/66/179258166.db2.gz MXRQRVHHSDRGGL-HUUCEWRRSA-N 2 0 265.445 1.935 10 0 CDAERP CC[C@H]1C[NH2+]C(C)(C)CN1C[C@@H]1CCC[N@H+](C)C1 ZINC000086259284 179258334 /nfs/dbraw/zinc/25/83/34/179258334.db2.gz CEYXMDWMOGYBFC-KGLIPLIRSA-N 2 0 253.434 1.791 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)c2cccnc2)CC1(C)C ZINC000623525526 347615315 /nfs/dbraw/zinc/61/53/15/347615315.db2.gz QSFXWTQRDALGLP-CABCVRRESA-N 2 0 277.412 1.620 10 0 CDAERP C[N@@H+]1CC[C@@H](NC[C@@H]2CCCC[NH+]2CCO)CC1(C)C ZINC000623536083 347620280 /nfs/dbraw/zinc/62/02/80/347620280.db2.gz LOAVFLFJRCKYTE-CABCVRRESA-N 2 0 283.460 1.296 10 0 CDAERP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc(C[NH+](C)C)nc1 ZINC000615302186 348429687 /nfs/dbraw/zinc/42/96/87/348429687.db2.gz BYTZXVFINUAKSB-DOMZBBRYSA-N 2 0 290.411 1.308 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000111266715 349224179 /nfs/dbraw/zinc/22/41/79/349224179.db2.gz MPTGKYQOTRFHMO-BXUZGUMPSA-N 2 0 261.369 1.542 10 0 CDAERP FC(F)(F)CC[NH2+]CCCOC1CC[NH2+]CC1 ZINC000104387667 185988925 /nfs/dbraw/zinc/98/89/25/185988925.db2.gz DVAYFFSTKCINTG-UHFFFAOYSA-N 2 0 254.296 1.687 10 0 CDAERP CC(=O)Nc1ccc([C@@H](C)[NH2+]CCOCCC[NH3+])cc1 ZINC000629541269 362964982 /nfs/dbraw/zinc/96/49/82/362964982.db2.gz YPMUDZLIKZVHAM-GFCCVEGCSA-N 2 0 279.384 1.661 10 0 CDAERP Cn1c2cc(C[NH2+][C@H]3CCCC[C@H]3C[NH3+])ccc2oc1=O ZINC000629547502 362974673 /nfs/dbraw/zinc/97/46/73/362974673.db2.gz KMONKGMWTZMIMP-STQMWFEESA-N 2 0 289.379 1.739 10 0 CDAERP [NH3+]CC1(CCNC(=O)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000621665873 350702136 /nfs/dbraw/zinc/70/21/36/350702136.db2.gz AQQQJNZRBIPIPU-GFCCVEGCSA-N 2 0 253.390 1.011 10 0 CDAERP CCOCCC[N@@H+]1CC[C@@H](N[C@@H]2CC[NH2+][C@H]2C)[C@@H](C)C1 ZINC000629548877 362976578 /nfs/dbraw/zinc/97/65/78/362976578.db2.gz RPSVWKHWFSZKLI-CAOSSQGBSA-N 2 0 283.460 1.463 10 0 CDAERP C[C@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)[C@@H]1CCC[NH2+]C1 ZINC000629556630 362993976 /nfs/dbraw/zinc/99/39/76/362993976.db2.gz VMAXQRAHOSYAEN-SCRDCRAPSA-N 2 0 265.401 1.118 10 0 CDAERP COCC[N@H+](C)CCC[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000623861746 351305963 /nfs/dbraw/zinc/30/59/63/351305963.db2.gz BSVCRPUEXDZSFW-KGLIPLIRSA-N 2 0 258.406 1.502 10 0 CDAERP COCCN1CCC[C@@H]1C[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000623886338 351318720 /nfs/dbraw/zinc/31/87/20/351318720.db2.gz ZFJAIROKBCCPGH-RRFJBIMHSA-N 2 0 270.417 1.644 10 0 CDAERP C[C@@H](NC(=O)[C@@H](C)[N@H+](C)CCOCC[NH3+])c1ccccc1 ZINC000629576374 363034847 /nfs/dbraw/zinc/03/48/47/363034847.db2.gz STVJQCJDFMDIDK-ZIAGYGMSSA-N 2 0 293.411 1.159 10 0 CDAERP C[C@@H]1CC(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)C[C@@H](C)O1 ZINC000629579023 363029899 /nfs/dbraw/zinc/02/98/99/363029899.db2.gz YMKWWJVPMBLHRR-UMVBOHGHSA-N 2 0 270.417 1.236 10 0 CDAERP CO[C@@H](C[N@H+](C)CCOCC[NH3+])C1CCCCC1 ZINC000629581349 363043250 /nfs/dbraw/zinc/04/32/50/363043250.db2.gz XHPIYZUNYBEAKM-AWEZNQCLSA-N 2 0 258.406 1.489 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C1COCCOC1 ZINC000644424471 366044530 /nfs/dbraw/zinc/04/45/30/366044530.db2.gz JLOOBBGFJNAFPZ-UHFFFAOYSA-N 2 0 288.351 1.081 10 0 CDAERP CO[C@H](C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)C1CCC1 ZINC000629594084 363113491 /nfs/dbraw/zinc/11/34/91/363113491.db2.gz KVLRLRLGRJRQRO-KFWWJZLASA-N 2 0 252.402 1.733 10 0 CDAERP O[C@H](C[NH2+]C[C@@H]1CCCC12CC2)C[NH+]1CCCC1 ZINC000629618257 363212079 /nfs/dbraw/zinc/21/20/79/363212079.db2.gz KUYWWLQXLPBMQM-UONOGXRCSA-N 2 0 252.402 1.613 10 0 CDAERP [NH3+][C@@H]1CC[C@H]2CN(c3cc(N4CCCC4)ncn3)C[C@H]12 ZINC000333924620 363225952 /nfs/dbraw/zinc/22/59/52/363225952.db2.gz TUZRVXVOKPTJMU-RWMBFGLXSA-N 2 0 273.384 1.250 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000629653119 363252238 /nfs/dbraw/zinc/25/22/38/363252238.db2.gz NUBVIAQTXROIHV-UHFFFAOYSA-N 2 0 276.302 1.772 10 0 CDAERP COCc1nc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cs1 ZINC000570092912 363357424 /nfs/dbraw/zinc/35/74/24/363357424.db2.gz BNXKRQKCDWXZAV-TXEJJXNPSA-N 2 0 281.425 1.721 10 0 CDAERP c1cn(C2CC[NH+](C[C@H]3CCc4ncnn43)CC2)cn1 ZINC000639512833 363446882 /nfs/dbraw/zinc/44/68/82/363446882.db2.gz COKYZBDRMLGYER-CYBMUJFWSA-N 2 0 272.356 1.299 10 0 CDAERP CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)C2CC[NH+](C)CC2)C1 ZINC000090411784 538441870 /nfs/dbraw/zinc/44/18/70/538441870.db2.gz CDZYJKITMKDPKA-TZMCWYRMSA-N 2 0 282.432 1.110 10 0 CDAERP C[C@H](O)C[N@H+](C)C1CCC(C)([NH+]2CCOCC2)CC1 ZINC000725262978 538455104 /nfs/dbraw/zinc/45/51/04/538455104.db2.gz ZGXRXDWUTSYSIB-NFOMZHRRSA-N 2 0 270.417 1.333 10 0 CDAERP Cc1cc(NC[C@@H]2CCCC[N@@H+]2CCO)nc(C2CC2)n1 ZINC000572692307 357109030 /nfs/dbraw/zinc/10/90/30/357109030.db2.gz IROGOFSKFIEWBS-AWEZNQCLSA-N 2 0 290.411 1.343 10 0 CDAERP C[C@H]([NH3+])CC(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000261532269 357251931 /nfs/dbraw/zinc/25/19/31/357251931.db2.gz AAEUYQWIWUXNHW-STQMWFEESA-N 2 0 263.385 1.360 10 0 CDAERP CCn1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cn1 ZINC000367614639 357331593 /nfs/dbraw/zinc/33/15/93/357331593.db2.gz INVACTGHCVZQII-ZNMIVQPWSA-N 2 0 262.401 1.865 10 0 CDAERP Cn1ccnc1CN1CC[C@@H](CNc2ccccn2)C1 ZINC000097200628 358188586 /nfs/dbraw/zinc/18/85/86/358188586.db2.gz JEVANFBBHSAXNZ-ZDUSSCGKSA-N 2 0 271.368 1.749 10 0 CDAERP C[C@H]([NH3+])c1ccc(C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1 ZINC000634742673 358190912 /nfs/dbraw/zinc/19/09/12/358190912.db2.gz TVJIKYUTNYCTQL-AFAVFJNCSA-N 2 0 287.407 1.778 10 0 CDAERP C[C@@H](C[NH2+]CCCN1CC[NH2+]CC1)Cc1ccccc1 ZINC000414778804 295969835 /nfs/dbraw/zinc/96/98/35/295969835.db2.gz IZUYIABCQSJEOQ-MRXNPFEDSA-N 2 0 275.440 1.750 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)C1CCC([NH3+])CC1)c1cccs1 ZINC000040827300 358739176 /nfs/dbraw/zinc/73/91/76/358739176.db2.gz CTWBHRMIYODIOL-WXRRBKDZSA-N 2 0 295.452 1.985 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1CC[NH3+] ZINC000070551674 358968690 /nfs/dbraw/zinc/96/86/90/358968690.db2.gz AOCNZTUIFNLHLA-CQSZACIVSA-N 2 0 275.396 1.402 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](C)[C@H](C)[C@@H]2C)CC[N@@H+]1C ZINC000632275334 358959296 /nfs/dbraw/zinc/95/92/96/358959296.db2.gz RJJCPFASLMTVSG-ZOBORPQBSA-N 2 0 267.417 1.268 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000346462443 359014940 /nfs/dbraw/zinc/01/49/40/359014940.db2.gz QNDMKMBFYHGYRK-LXTVHRRPSA-N 2 0 281.444 1.800 10 0 CDAERP [NH3+]Cc1ccc(-c2noc(C3(C[NH3+])CCCC3)n2)cc1 ZINC000261925719 359091877 /nfs/dbraw/zinc/09/18/77/359091877.db2.gz CDFBUTUUUOIIRC-UHFFFAOYSA-N 2 0 272.352 1.966 10 0 CDAERP C[NH2+][C@H]1CCCN(Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000261959230 359105283 /nfs/dbraw/zinc/10/52/83/359105283.db2.gz GZKNBXANNHDLSW-HNNXBMFYSA-N 2 0 285.395 1.760 10 0 CDAERP Cc1nc[nH]c1CNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000335249938 359110842 /nfs/dbraw/zinc/11/08/42/359110842.db2.gz NEMZQZAQKNUMJB-NEPJUHHUSA-N 2 0 264.373 1.632 10 0 CDAERP C[C@@H]1CC[C@@H](O)C[N@@H+]1C[C@@H](O)CN(C)Cc1ccccc1 ZINC000643254937 359245202 /nfs/dbraw/zinc/24/52/02/359245202.db2.gz SCSNAGOXALZLIV-OIISXLGYSA-N 2 0 292.423 1.325 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]CCc2cccc(OC)n2)[C@H](C)C1 ZINC000347423998 359360504 /nfs/dbraw/zinc/36/05/04/359360504.db2.gz YYROAQTWQWPGKY-HIFRSBDPSA-N 2 0 277.412 1.953 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1CC12CC[NH2+]CC2)C1CCCCC1 ZINC000237143806 359349750 /nfs/dbraw/zinc/34/97/50/359349750.db2.gz OJQZMLLIWWWGQI-HNNXBMFYSA-N 2 0 293.455 1.757 10 0 CDAERP C[NH+](C)C[C@H]1CC[N@H+](C[C@](C)(O)c2ccccc2)C1 ZINC000114479878 359476527 /nfs/dbraw/zinc/47/65/27/359476527.db2.gz HASMSLMQBRFIFM-ZBFHGGJFSA-N 2 0 262.397 1.778 10 0 CDAERP CC(C)[N@@H+]1CCCN(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000335297793 359575010 /nfs/dbraw/zinc/57/50/10/359575010.db2.gz LEEMGGUFOOZGCJ-KGLIPLIRSA-N 2 0 282.432 1.110 10 0 CDAERP C[C@H]1[NH2+]CCN(C(=O)NC2CC([NH+]3CCCCC3)C2)[C@@H]1C ZINC000334941024 291193908 /nfs/dbraw/zinc/19/39/08/291193908.db2.gz NHSFJFRIGWXRRH-LMRVLLHPSA-N 2 0 294.443 1.395 10 0 CDAERP C[NH2+][C@H](C)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379667759 359904449 /nfs/dbraw/zinc/90/44/49/359904449.db2.gz BZEKQVUTRQWXCG-GDBMZVCRSA-N 2 0 289.423 1.765 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000061645070 359923520 /nfs/dbraw/zinc/92/35/20/359923520.db2.gz IUFFRHCVZOAMDQ-CABCVRRESA-N 2 0 275.396 1.629 10 0 CDAERP CC[C@@H]1C[C@H](C[NH+]2CCC([N@H+](C)CCCO)CC2)CCO1 ZINC000356979008 366668481 /nfs/dbraw/zinc/66/84/81/366668481.db2.gz ZUIXMHGTWMGPOV-NVXWUHKLSA-N 2 0 298.471 1.970 10 0 CDAERP [NH3+]C[C@H]1c2ccccc2CCN1C[C@H]1CCC[NH2+]C1 ZINC000335448087 283525705 /nfs/dbraw/zinc/52/57/05/283525705.db2.gz METJFUMHQIUPAM-BBRMVZONSA-N 2 0 259.397 1.544 10 0 CDAERP C[C@H](NC[C@@H](c1ccccc1)[NH+](C)C)[C@H]1CC[NH2+]C1 ZINC000400735246 299305328 /nfs/dbraw/zinc/30/53/28/299305328.db2.gz RRBGOHSRDLYZJI-BPUTZDHNSA-N 2 0 261.413 1.877 10 0 CDAERP [NH3+][C@H]1C[C@@H](C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)C1 ZINC000335452978 360201854 /nfs/dbraw/zinc/20/18/54/360201854.db2.gz QRWVQWASQLPLAB-AOOOYVTPSA-N 2 0 263.316 1.147 10 0 CDAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000335494587 360264749 /nfs/dbraw/zinc/26/47/49/360264749.db2.gz AQOBWQOLBLYRCP-UONOGXRCSA-N 2 0 281.444 1.565 10 0 CDAERP C[NH+](C)CC1(C(=O)NC[C@H]2CCC[N@H+](C)C2)CCCCC1 ZINC000515360588 360477840 /nfs/dbraw/zinc/47/78/40/360477840.db2.gz UEDDEDULKBVSRT-OAHLLOKOSA-N 2 0 295.471 1.957 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C[C@@H]2CCSC2)CC1 ZINC000365875104 360501480 /nfs/dbraw/zinc/50/14/80/360501480.db2.gz FUKRLMJAXVVHJL-HOTGVXAUSA-N 2 0 297.512 1.841 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000626920486 360637606 /nfs/dbraw/zinc/63/76/06/360637606.db2.gz BVARPXYTUVAREZ-QJPTWQEYSA-N 2 0 296.440 1.400 10 0 CDAERP CO[C@@H](C)C[NH2+][C@@H]1CCN(CCc2ccccc2)C1 ZINC000191204319 360761876 /nfs/dbraw/zinc/76/18/76/360761876.db2.gz LDKJWJBTYRQTRK-GOEBONIOSA-N 2 0 262.397 1.928 10 0 CDAERP CC[NH+](CC)CCCN(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000338312909 360855776 /nfs/dbraw/zinc/85/57/76/360855776.db2.gz GVABKOHKRQSDMV-OAHLLOKOSA-N 2 0 253.434 1.887 10 0 CDAERP C[C@H]1C[C@H](NC(=O)c2ccc(C[NH3+])cc2)CC[N@@H+]1C ZINC000149284958 360949700 /nfs/dbraw/zinc/94/97/00/360949700.db2.gz IEKXDXWWNSVCCJ-SMDDNHRTSA-N 2 0 261.369 1.358 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000564732892 361047409 /nfs/dbraw/zinc/04/74/09/361047409.db2.gz RIQOCMYYMUDUIY-BFHYXJOUSA-N 2 0 267.417 1.175 10 0 CDAERP CC(C)(C)NC(=O)CN1CC[C@@H](Oc2ccncc2)C1 ZINC000131823214 361152971 /nfs/dbraw/zinc/15/29/71/361152971.db2.gz NXLHZLBPWLHUQZ-CYBMUJFWSA-N 2 0 277.368 1.449 10 0 CDAERP Cc1cc(C)c(NC(=O)NC[C@H]2CN(C)CCO2)c(C)n1 ZINC000408463212 361162196 /nfs/dbraw/zinc/16/21/96/361162196.db2.gz FQDMTKSIOBWUHQ-ZDUSSCGKSA-N 2 0 292.383 1.459 10 0 CDAERP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000011954071 361390750 /nfs/dbraw/zinc/39/07/50/361390750.db2.gz KPQRRYHLFNCCSH-STQMWFEESA-N 2 0 269.433 1.741 10 0 CDAERP Nc1ccnc(CN2CCC(c3ncc[nH]3)CC2)n1 ZINC000268535033 364059515 /nfs/dbraw/zinc/05/95/15/364059515.db2.gz FGIGCKYIQBPETA-UHFFFAOYSA-N 2 0 258.329 1.162 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccccc1CC[NH3+] ZINC000566408401 370706764 /nfs/dbraw/zinc/70/67/64/370706764.db2.gz ZKDKXFVAEBSSOW-MLGOLLRUSA-N 2 0 287.407 1.400 10 0 CDAERP C[C@H]([NH3+])CCC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000248895088 364341423 /nfs/dbraw/zinc/34/14/23/364341423.db2.gz XKIFBOLVNIOIOP-KGLIPLIRSA-N 2 0 269.433 1.742 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNc1ccncc1C(N)=O ZINC000302243111 364481249 /nfs/dbraw/zinc/48/12/49/364481249.db2.gz YWKAEYWDENVSKC-LLVKDONJSA-N 2 0 262.357 1.467 10 0 CDAERP CC(C)([NH3+])CCC(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000632862004 364539991 /nfs/dbraw/zinc/53/99/91/364539991.db2.gz QHHFWPJIXBXBQG-RYUDHWBXSA-N 2 0 253.390 1.104 10 0 CDAERP CC(C)C[C@H]([NH3+])c1noc(-c2cc([C@@H]3CC[NH2+]C3)[nH]n2)n1 ZINC000514603729 364753687 /nfs/dbraw/zinc/75/36/87/364753687.db2.gz WAWBHWUEFLIZJE-ZJUUUORDSA-N 2 0 290.371 1.583 10 0 CDAERP C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)CC[C@@H]1CCCC[NH+]1C)C2 ZINC000412403555 240194586 /nfs/dbraw/zinc/19/45/86/240194586.db2.gz SRHGHUBQQDLUQZ-PNRVRQOCSA-N 2 0 293.455 1.992 10 0 CDAERP Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H]3CCC[C@@H]31)CC2 ZINC000353497944 365256600 /nfs/dbraw/zinc/25/66/00/365256600.db2.gz QPPWIFRSACRSKI-TUVASFSCSA-N 2 0 289.427 1.364 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCOC[C@@H]2CCOC2)[C@@H]2CCC[C@H]21 ZINC000353531477 365281330 /nfs/dbraw/zinc/28/13/30/365281330.db2.gz VFZPOLYJNSYSDI-LUKYLMHMSA-N 2 0 296.455 1.892 10 0 CDAERP CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)C1 ZINC000641279210 365293026 /nfs/dbraw/zinc/29/30/26/365293026.db2.gz PGHJDYLEARRCBA-MJBXVCDLSA-N 2 0 282.432 1.156 10 0 CDAERP Cc1nnc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)s1 ZINC000353563954 365301176 /nfs/dbraw/zinc/30/11/76/365301176.db2.gz GUMRANOOQAUFFX-JHJVBQTASA-N 2 0 280.441 1.851 10 0 CDAERP C[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)[C@@H]1C[C@H]1C ZINC000414182739 241104375 /nfs/dbraw/zinc/10/43/75/241104375.db2.gz DILFSCHXLZMNRS-OWCLPIDISA-N 2 0 295.471 1.417 10 0 CDAERP Cc1ccc(C(=O)NCC[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)cc1 ZINC000400544071 366962167 /nfs/dbraw/zinc/96/21/67/366962167.db2.gz VNINEQDMTIMJME-ZFWWWQNUSA-N 2 0 275.396 1.312 10 0 CDAERP C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(NS(C)(=O)=O)cc1 ZINC000358010601 367365762 /nfs/dbraw/zinc/36/57/62/367365762.db2.gz YLPYUKCGCCPFHO-BXUZGUMPSA-N 2 0 297.424 1.098 10 0 CDAERP C[N@@H+]1CC[C@](O)(CNCc2cc(-c3ccccc3)n[nH]2)C1 ZINC000358169575 367485383 /nfs/dbraw/zinc/48/53/83/367485383.db2.gz QFFAXZCJMJHMSY-INIZCTEOSA-N 2 0 286.379 1.233 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000627158245 367584799 /nfs/dbraw/zinc/58/47/99/367584799.db2.gz OQEGYHAHRSPYKA-FRRDWIJNSA-N 2 0 282.432 1.299 10 0 CDAERP CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000627161426 367590995 /nfs/dbraw/zinc/59/09/95/367590995.db2.gz RYNPZJVDEBXPAY-LSDHHAIUSA-N 2 0 296.459 1.644 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000417387089 242451218 /nfs/dbraw/zinc/45/12/18/242451218.db2.gz GYVZVWYYTZVDPV-HUUCEWRRSA-N 2 0 296.459 1.535 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)C[NH2+]1 ZINC000627199879 367690251 /nfs/dbraw/zinc/69/02/51/367690251.db2.gz FNLAJWSQZFLAHD-YIYPIFLZSA-N 2 0 282.432 1.109 10 0 CDAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000627201250 367695184 /nfs/dbraw/zinc/69/51/84/367695184.db2.gz YIANWUQBUFEGLZ-IHRRRGAJSA-N 2 0 282.432 1.110 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)N[C@@H]2CC[NH2+][C@H]2C)C[C@@H]1C ZINC000627240781 367805079 /nfs/dbraw/zinc/80/50/79/367805079.db2.gz XTEWNYKARZVDIS-IGQOVBAYSA-N 2 0 282.432 1.251 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)CC2(O)CCC2)C[C@H]1C ZINC000528396760 367824874 /nfs/dbraw/zinc/82/48/74/367824874.db2.gz PTDFXMZXYQYAMS-ILXRZTDVSA-N 2 0 284.444 1.457 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]([NH3+])CCC(C)C)C1 ZINC000638079472 368125522 /nfs/dbraw/zinc/12/55/22/368125522.db2.gz FPOSRJFEPPQDOL-CHWSQXEVSA-N 2 0 255.406 1.350 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C[NH3+])CC(C)C)[C@@H](C)C1 ZINC000418421274 243056238 /nfs/dbraw/zinc/05/62/38/243056238.db2.gz BBAJVHSCWNGAOZ-ZNMIVQPWSA-N 2 0 298.475 1.732 10 0 CDAERP C[C@H]([NH3+])C1CCN(C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000418452358 243095495 /nfs/dbraw/zinc/09/54/95/243095495.db2.gz NVDNAOWRIWEGTG-WFASDCNBSA-N 2 0 290.411 1.455 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000539416876 368433419 /nfs/dbraw/zinc/43/34/19/368433419.db2.gz ZVOOIPGKOSAACO-UHFFFAOYSA-N 2 0 277.412 1.772 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000418621329 243285811 /nfs/dbraw/zinc/28/58/11/243285811.db2.gz SADUTWVBKFVRHW-HIFRSBDPSA-N 2 0 296.459 1.500 10 0 CDAERP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H](C)[C@H](C)[NH3+])o1 ZINC000418709069 243362289 /nfs/dbraw/zinc/36/22/89/243362289.db2.gz UQTZOPXNSIVQTB-QWHCGFSZSA-N 2 0 296.415 1.397 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000630394165 368868757 /nfs/dbraw/zinc/86/87/57/368868757.db2.gz ZFVSFKYPRBEYJK-UONOGXRCSA-N 2 0 267.417 1.269 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638273212 369063997 /nfs/dbraw/zinc/06/39/97/369063997.db2.gz ZJDYJHKXZDQPLS-ZDUSSCGKSA-N 2 0 253.390 1.080 10 0 CDAERP CN1CCC([N@@H+]2CC[C@@H](NC(=O)/C=C/C(C)(C)C)C2)CC1 ZINC000363225065 369136655 /nfs/dbraw/zinc/13/66/55/369136655.db2.gz GUZAIMNTWBQBAY-VZUFXWRPSA-N 2 0 293.455 1.873 10 0 CDAERP CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420295789 244041951 /nfs/dbraw/zinc/04/19/51/244041951.db2.gz ASYNLPBGFQPLQL-KGLIPLIRSA-N 2 0 267.417 1.319 10 0 CDAERP C[NH2+]CCOCCNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000630578268 369300444 /nfs/dbraw/zinc/30/04/44/369300444.db2.gz JQBVMEJGOOXCFO-UHFFFAOYSA-N 2 0 294.399 1.106 10 0 CDAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@@H]2CCCC(C)(C)C2)CC1 ZINC000567345758 370959496 /nfs/dbraw/zinc/95/94/96/370959496.db2.gz SIXYJTZTDZAABR-CVEARBPZSA-N 2 0 297.487 1.401 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC[N@@H+]1C ZINC000548090964 369749689 /nfs/dbraw/zinc/74/96/89/369749689.db2.gz UGVYQUQTTHYGAW-BYNSBNAKSA-N 2 0 281.444 1.706 10 0 CDAERP CCC[C@H](C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[NH+](C)C ZINC000119400270 370109658 /nfs/dbraw/zinc/10/96/58/370109658.db2.gz PZHWSOROLPAGIR-QWHCGFSZSA-N 2 0 271.449 1.809 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCC(C)C)C1)[NH+](C)C ZINC001661473621 1172395242 /nfs/dbraw/zinc/39/52/42/1172395242.db2.gz MZPZAYUDXRKAAK-IHRRRGAJSA-N 2 0 269.433 1.610 10 0 CDAERP COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414759818 284206965 /nfs/dbraw/zinc/20/69/65/284206965.db2.gz XIQWPDHKSUMGRP-JARUQAPTSA-N 2 0 280.412 1.648 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000418205744 370289653 /nfs/dbraw/zinc/28/96/53/370289653.db2.gz ZSRRFWCICDVROR-WOPDTQHZSA-N 2 0 258.410 1.142 10 0 CDAERP CCC([NH3+])(CC)CNC(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000418230666 370310791 /nfs/dbraw/zinc/31/07/91/370310791.db2.gz FIVYWVAUVSUBTO-JTQLQIEISA-N 2 0 279.388 1.084 10 0 CDAERP [NH3+]C1(CNC(=O)NCC2=CC[NH2+]CC2)CCCCCC1 ZINC000418280259 370406199 /nfs/dbraw/zinc/40/61/99/370406199.db2.gz AJZDZYVXVZKVFO-UHFFFAOYSA-N 2 0 280.416 1.257 10 0 CDAERP C[NH+](C)CC(C)(C)NC(=O)NCC1([NH3+])CCCCCC1 ZINC000418283516 370459384 /nfs/dbraw/zinc/45/93/84/370459384.db2.gz KPDZSDGMBHTRSL-UHFFFAOYSA-N 2 0 284.448 1.678 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCCCC[NH2+]2)CC[N@@H+]1C ZINC000372497678 370497807 /nfs/dbraw/zinc/49/78/07/370497807.db2.gz REUTYZQRFIRBND-RDBSUJKOSA-N 2 0 267.417 1.460 10 0 CDAERP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCC1([NH3+])CCCCCC1 ZINC000566087037 370603860 /nfs/dbraw/zinc/60/38/60/370603860.db2.gz PMYVWFVBKQCUSQ-AWEZNQCLSA-N 2 0 296.459 1.774 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422722249 245181011 /nfs/dbraw/zinc/18/10/11/245181011.db2.gz XIXUXEMIFHBNHW-IXXDHKBRSA-N 2 0 253.434 1.835 10 0 CDAERP CC[C@H](C(=O)N(C)C[C@@H]1CCC[N@@H+]1CC)[NH+](C)C ZINC000121767763 370636988 /nfs/dbraw/zinc/63/69/88/370636988.db2.gz WMMYFZQYGRIAQF-QWHCGFSZSA-N 2 0 255.406 1.269 10 0 CDAERP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000422745477 245207545 /nfs/dbraw/zinc/20/75/45/245207545.db2.gz VFSQMTSMUPUPTM-XHSDSOJGSA-N 2 0 262.397 1.840 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000422800964 245270930 /nfs/dbraw/zinc/27/09/30/245270930.db2.gz ASPNUCAOESTHAJ-INIZCTEOSA-N 3 0 279.428 1.592 10 0 CDAERP COc1nccnc1CN1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000295599100 371363559 /nfs/dbraw/zinc/36/35/59/371363559.db2.gz CRXNATHNBPFFPN-TZMCWYRMSA-N 2 0 276.384 1.401 10 0 CDAERP C[C@@H](CCC(C)(C)C)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000572993218 371374571 /nfs/dbraw/zinc/37/45/71/371374571.db2.gz SPMIVNIYNGEWQU-LSDHHAIUSA-N 2 0 285.476 1.399 10 0 CDAERP CC[C@@H](Cn1cncn1)[NH2+]CCCN1CCCO[C@@H](C)C1 ZINC000340513930 371470941 /nfs/dbraw/zinc/47/09/41/371470941.db2.gz YTYKALZPDOCYKU-GJZGRUSLSA-N 2 0 295.431 1.147 10 0 CDAERP C[C@H]([NH2+][C@H](CO)Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000573355245 371513701 /nfs/dbraw/zinc/51/37/01/371513701.db2.gz JCFWNAVISIBIEK-BPUTZDHNSA-N 2 0 262.397 1.568 10 0 CDAERP COC(=O)C1(C[N@H+](C)CCCN(C)Cc2ccco2)CC1 ZINC000295948810 371532367 /nfs/dbraw/zinc/53/23/67/371532367.db2.gz LPZZTBXLGGZSPX-UHFFFAOYSA-N 2 0 294.395 1.987 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)NCCC1CC[NH+](C)CC1 ZINC000171356436 371734167 /nfs/dbraw/zinc/73/41/67/371734167.db2.gz VATHTRQZEDAPFC-AWEZNQCLSA-N 2 0 282.432 1.112 10 0 CDAERP CC(C)C[NH2+][C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001661609850 1172415429 /nfs/dbraw/zinc/41/54/29/1172415429.db2.gz CFKNHKRWIIPWCH-BETUJISGSA-N 2 0 267.417 1.364 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC000580580062 372036832 /nfs/dbraw/zinc/03/68/32/372036832.db2.gz BSILZQYKHLPDSV-LSDHHAIUSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H]1C[N@@H+](CC2CC[NH+](C[C@@H]3CCCO3)CC2)C[C@H](C)O1 ZINC000171305200 372157835 /nfs/dbraw/zinc/15/78/35/372157835.db2.gz CIRUFIINFQZGRO-UXLLHSPISA-N 2 0 296.455 1.987 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173831704 372540587 /nfs/dbraw/zinc/54/05/87/372540587.db2.gz XXHAGFZQZLUTQU-KFWWJZLASA-N 2 0 298.475 1.841 10 0 CDAERP C[NH+](C)CCCCC(=O)N[C@H]1C[C@@H]([NH2+]CC2CC2)C1 ZINC001661677971 1172426057 /nfs/dbraw/zinc/42/60/57/1172426057.db2.gz BGENDNMVUFTWDC-OKILXGFUSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001661678212 1172426085 /nfs/dbraw/zinc/42/60/85/1172426085.db2.gz HEHCNYPUPNHWBI-GASCZTMLSA-N 2 0 281.444 1.921 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(c2ccccc2F)C1 ZINC000423137334 245599218 /nfs/dbraw/zinc/59/92/18/245599218.db2.gz WCUGHJPHBPGZIO-KGLIPLIRSA-N 2 0 295.402 1.748 10 0 CDAERP CC(C)(C)c1nnc(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)[nH]1 ZINC000333335221 205230315 /nfs/dbraw/zinc/23/03/15/205230315.db2.gz WXAFYNQHDXBHMK-ZACCUICWSA-N 2 0 263.389 1.475 10 0 CDAERP CCn1cc([C@H](C)[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cn1 ZINC000381210932 372963062 /nfs/dbraw/zinc/96/30/62/372963062.db2.gz UNIDRZWKPXEUSN-MBNYWOFBSA-N 2 0 250.390 1.881 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)NCCC[NH+]2CCCC2)CC[N@@H+]1C ZINC000340995670 373150983 /nfs/dbraw/zinc/15/09/83/373150983.db2.gz RGUHFSYBRQGNRX-HUUCEWRRSA-N 2 0 296.459 1.596 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H]2CCC[NH+]2C)C1 ZINC000341013677 373174133 /nfs/dbraw/zinc/17/41/33/373174133.db2.gz KWZBZKVVKUHRIE-CABCVRRESA-N 2 0 296.459 1.454 10 0 CDAERP C[NH2+]C[C@@H](C)CNC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000418378385 373297933 /nfs/dbraw/zinc/29/79/33/373297933.db2.gz GDNXCFUSKWBZGV-CQSZACIVSA-N 2 0 292.427 1.055 10 0 CDAERP C[C@H]1CN(CC[NH+]2CCC(C[NH+]3CCCC3)CC2)CCO1 ZINC000191446798 373492496 /nfs/dbraw/zinc/49/24/96/373492496.db2.gz HQGITQGRHUJXCR-INIZCTEOSA-N 2 0 295.471 1.515 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000653952467 412812128 /nfs/dbraw/zinc/81/21/28/412812128.db2.gz LFANECFTXQAISP-SOUVJXGZSA-N 2 0 296.459 1.358 10 0 CDAERP C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2)C[C@@H]1C[NH3+] ZINC000631839234 373767288 /nfs/dbraw/zinc/76/72/88/373767288.db2.gz CDFGZVRKVKIQCU-STQMWFEESA-N 2 0 261.369 1.542 10 0 CDAERP CC(C)N(C(=O)C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1)C(C)C ZINC000631843521 373894492 /nfs/dbraw/zinc/89/44/92/373894492.db2.gz OXPDKGISKPBMJU-OLZOCXBDSA-N 2 0 255.406 1.158 10 0 CDAERP CCC1([NH+](C)C)CCN(C[C@@H](O)C[N@H+](C)C(C)C)CC1 ZINC000640015971 373992115 /nfs/dbraw/zinc/99/21/15/373992115.db2.gz PVUVDKDWFLPAPA-HNNXBMFYSA-N 2 0 285.476 1.494 10 0 CDAERP CC(C)N1CCC[C@H](N2CCC[C@H]3C[NH2+]CC[C@@H]32)C1=O ZINC000631887932 374500153 /nfs/dbraw/zinc/50/01/53/374500153.db2.gz RORFVEOCHYBAEP-KKUMJFAQSA-N 2 0 279.428 1.460 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)N2CC[NH+]3CCC2CC3)C[N@@H+]1C1CC1 ZINC000334318091 374888589 /nfs/dbraw/zinc/88/85/89/374888589.db2.gz RNCNLCNISCYNFO-OLZOCXBDSA-N 2 0 292.427 1.101 10 0 CDAERP Cc1scc(C[NH2+]CC2(O)CC[NH+](C)CC2)c1C ZINC000631079102 375075639 /nfs/dbraw/zinc/07/56/39/375075639.db2.gz YVBIKABJQPCIPA-UHFFFAOYSA-N 2 0 268.426 1.911 10 0 CDAERP CCc1nccn1[C@H]1CCC[N@H+](CCOCCO)C1 ZINC000132984980 375539082 /nfs/dbraw/zinc/53/90/82/375539082.db2.gz NIXGROMMSVSVCK-ZDUSSCGKSA-N 2 0 267.373 1.091 10 0 CDAERP Cc1nc(N)nc(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)n1 ZINC000631185390 375562394 /nfs/dbraw/zinc/56/23/94/375562394.db2.gz LAVXWXZIYIIKAG-CHWSQXEVSA-N 2 0 284.367 1.450 10 0 CDAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1CCCC1CC[NH2+]CC1 ZINC000251671972 483073619 /nfs/dbraw/zinc/07/36/19/483073619.db2.gz HKDZLBCVSRYUSC-HOCLYGCPSA-N 2 0 265.445 1.935 10 0 CDAERP CS[C@@H]1CC[C@@H]1[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000425387784 376991899 /nfs/dbraw/zinc/99/18/99/376991899.db2.gz VSDDGJAABFWISL-UONOGXRCSA-N 2 0 299.484 1.462 10 0 CDAERP OCCN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000247997084 377191770 /nfs/dbraw/zinc/19/17/70/377191770.db2.gz JXWXYBFTGAYSRJ-IAGOWNOFSA-N 2 0 274.408 1.965 10 0 CDAERP C[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)C[NH+]1CCCC1 ZINC000247653013 377161460 /nfs/dbraw/zinc/16/14/60/377161460.db2.gz XGLZBFJPOJMKKQ-GJZGRUSLSA-N 2 0 294.443 1.208 10 0 CDAERP Cc1ccc([C@@H]([NH3+])C(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000334656496 377230346 /nfs/dbraw/zinc/23/03/46/377230346.db2.gz ZBROAMSPFVNHEL-VXGBXAGGSA-N 2 0 283.322 1.108 10 0 CDAERP C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC000571923048 377592120 /nfs/dbraw/zinc/59/21/20/377592120.db2.gz JTEDVZLUOGWNAX-NXEZZACHSA-N 2 0 250.346 1.003 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000251420214 377593026 /nfs/dbraw/zinc/59/30/26/377593026.db2.gz PQTHEGBHZASJFD-KKUMJFAQSA-N 2 0 253.434 1.776 10 0 CDAERP C[C@H]1CCN(C(=O)NCC2([NH3+])CCCCCC2)C[C@@H]1C[NH3+] ZINC000334935602 377703746 /nfs/dbraw/zinc/70/37/46/377703746.db2.gz NMSSDTAHIIWQMI-KBPBESRZSA-N 2 0 296.459 1.664 10 0 CDAERP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCC1([NH3+])CCCCCC1 ZINC000334937073 377708500 /nfs/dbraw/zinc/70/85/00/377708500.db2.gz SJHDYKVBTOYHJT-CHWSQXEVSA-N 2 0 282.432 1.417 10 0 CDAERP CC(C)C[C@H]([NH3+])C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000094459841 378145294 /nfs/dbraw/zinc/14/52/94/378145294.db2.gz LWCGYJWPDMIOFU-UPJWGTAASA-N 2 0 253.390 1.055 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)N(C)CC1C[NH+](C)C1 ZINC000660634076 412893673 /nfs/dbraw/zinc/89/36/73/412893673.db2.gz LJNXDZHSRLLTPS-AWEZNQCLSA-N 2 0 282.432 1.064 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](CO)C1CCC1 ZINC000657558908 412894332 /nfs/dbraw/zinc/89/43/32/412894332.db2.gz UDLYTPZZKVGPNQ-INIZCTEOSA-N 2 0 286.379 1.826 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000358852338 284721430 /nfs/dbraw/zinc/72/14/30/284721430.db2.gz GOYABASWFZJOHQ-WFASDCNBSA-N 2 0 295.402 1.715 10 0 CDAERP NC(=O)c1cccc2c1CC[N@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000662327104 412896300 /nfs/dbraw/zinc/89/63/00/412896300.db2.gz JKXSODPDDNTQMK-GFCCVEGCSA-N 2 0 273.380 1.143 10 0 CDAERP CC1CC[NH+](CCN2CCO[C@@H](CCC[NH+](C)C)C2)CC1 ZINC000662326013 412896394 /nfs/dbraw/zinc/89/63/94/412896394.db2.gz SXEHIFRNLQZIGZ-KRWDZBQOSA-N 2 0 297.487 1.761 10 0 CDAERP COCCC[NH+]1CCC(N[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000343927132 379019470 /nfs/dbraw/zinc/01/94/70/379019470.db2.gz VINQXYQFXPNHJI-DZGCQCFKSA-N 2 0 269.433 1.027 10 0 CDAERP CC[C@@H](C(=O)N1CCC(CC)([NH+](C)C)CC1)[NH+](C)C ZINC000634123083 379062388 /nfs/dbraw/zinc/06/23/88/379062388.db2.gz WIMCZVIWIQBZOB-ZDUSSCGKSA-N 2 0 269.433 1.659 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000634133556 379069015 /nfs/dbraw/zinc/06/90/15/379069015.db2.gz MZQYOEDOHHKZRA-ZIAGYGMSSA-N 2 0 284.448 1.500 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000657573433 412904493 /nfs/dbraw/zinc/90/44/93/412904493.db2.gz NERKWUYHRIMMOD-HOTGVXAUSA-N 2 0 297.487 1.950 10 0 CDAERP CC(C)n1cncc1C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000657574054 412906751 /nfs/dbraw/zinc/90/67/51/412906751.db2.gz XTKJVYHDDSLVHG-HNNXBMFYSA-N 2 0 295.475 1.826 10 0 CDAERP O=C(c1cccc2c1C[NH2+]C2)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000662339063 412908244 /nfs/dbraw/zinc/90/82/44/412908244.db2.gz RPKICBIGFHTDBY-YOEHRIQHSA-N 2 0 299.418 1.894 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CCCC[NH2+]2)CC[N@@H+]1C ZINC000634260373 379259821 /nfs/dbraw/zinc/25/98/21/379259821.db2.gz RLCWOTYMNBLASP-HZSPNIEDSA-N 2 0 282.432 1.253 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000416999907 284803814 /nfs/dbraw/zinc/80/38/14/284803814.db2.gz CKZLFACAZRVBDK-HIFRSBDPSA-N 2 0 284.448 1.406 10 0 CDAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCOC3)cc2)C1 ZINC000657595278 412922859 /nfs/dbraw/zinc/92/28/59/412922859.db2.gz NWKYHDNXSWTFFN-CVEARBPZSA-N 2 0 276.380 1.132 10 0 CDAERP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N1CC[NH+](CC2CC2)CC1 ZINC000662396083 412958728 /nfs/dbraw/zinc/95/87/28/412958728.db2.gz PCLOBAFBBSLXTP-KRWDZBQOSA-N 2 0 299.418 1.775 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000417987691 532973080 /nfs/dbraw/zinc/97/30/80/532973080.db2.gz RLDWKBMAIGIYMN-MGPQQGTHSA-N 2 0 292.427 1.542 10 0 CDAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000263049146 285025497 /nfs/dbraw/zinc/02/54/97/285025497.db2.gz UIDFJKYCNMSYMZ-YCPHGPKFSA-N 2 0 297.443 1.121 10 0 CDAERP O=C(C[NH+]1CCCC1)NCCC[C@H]1CCC[N@@H+]1CC1CC1 ZINC001663123812 1172637500 /nfs/dbraw/zinc/63/75/00/1172637500.db2.gz LBJPAOHMEPINGQ-INIZCTEOSA-N 2 0 293.455 1.853 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)C2([NH2+]C3CC3)CCC2)cc1 ZINC000662426552 413004096 /nfs/dbraw/zinc/00/40/96/413004096.db2.gz UMAMYRWLHQXGHU-GFCCVEGCSA-N 2 0 287.407 1.997 10 0 CDAERP CC(C)[NH+]1CCC([NH2+]C2CCC(C(N)=O)CC2)CC1 ZINC000037152221 390208439 /nfs/dbraw/zinc/20/84/39/390208439.db2.gz BMBGKJJTEBVQAW-UHFFFAOYSA-N 2 0 267.417 1.493 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(OC)c(OC)c1 ZINC000234794523 285373245 /nfs/dbraw/zinc/37/32/45/285373245.db2.gz RHURKCITGJMIRU-ZDUSSCGKSA-N 2 0 282.384 1.547 10 0 CDAERP C[C@@H]1CCN(C(=O)c2ccccc2CC[NH3+])C[C@H]1C[NH3+] ZINC000568151632 390441568 /nfs/dbraw/zinc/44/15/68/390441568.db2.gz HBIRZZBGPVFAIR-TZMCWYRMSA-N 2 0 275.396 1.245 10 0 CDAERP COc1cccc([C@@H](C)[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000261605699 390661050 /nfs/dbraw/zinc/66/10/50/390661050.db2.gz CVERCHNCYHYRFO-ZBFHGGJFSA-N 2 0 289.423 1.736 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)C2C[NH2+]C2)[C@@H](C)C1 ZINC000262379287 285390646 /nfs/dbraw/zinc/39/06/46/285390646.db2.gz MTEAUVFIFYYQQJ-OBJOEFQTSA-N 2 0 267.417 1.031 10 0 CDAERP COc1ncncc1C[NH2+]CCC1CC[NH+](C)CC1 ZINC000647179601 390825617 /nfs/dbraw/zinc/82/56/17/390825617.db2.gz GNRAAOOHMIBQFE-UHFFFAOYSA-N 2 0 264.373 1.307 10 0 CDAERP O[C@H](C[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)C[NH+]1CCCCC1 ZINC000403725269 390953098 /nfs/dbraw/zinc/95/30/98/390953098.db2.gz IVXVPBHSYSMWFL-QKPAOTATSA-N 2 0 266.429 1.859 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]C2CCC(C(N)=O)CC2)CN1C1CC1 ZINC000161713753 390973043 /nfs/dbraw/zinc/97/30/43/390973043.db2.gz QCGZBIYEFQTYLR-XVSSEFHLSA-N 2 0 265.401 1.245 10 0 CDAERP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C2CCC2)C1 ZINC000647553169 390999045 /nfs/dbraw/zinc/99/90/45/390999045.db2.gz FSJBEWWZKOSKEZ-ZBFHGGJFSA-N 2 0 293.455 1.838 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)NCCC[NH2+]C)CC1 ZINC000417755528 391035961 /nfs/dbraw/zinc/03/59/61/391035961.db2.gz XOEGCILWAGQOFW-UHFFFAOYSA-N 2 0 270.421 1.017 10 0 CDAERP C[NH2+]CCC[N@H+](C)Cc1cc(-n2ccnc2)cs1 ZINC000415133315 391046332 /nfs/dbraw/zinc/04/63/32/391046332.db2.gz MZEIPZXTYXHBHV-UHFFFAOYSA-N 2 0 264.398 1.975 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CC[N@@H+]1C ZINC000417759604 391048915 /nfs/dbraw/zinc/04/89/15/391048915.db2.gz WKMYZPUPKDDVKU-FMKPAKJESA-N 2 0 294.443 1.254 10 0 CDAERP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccnc(C)c2)CC1 ZINC000527653225 391086877 /nfs/dbraw/zinc/08/68/77/391086877.db2.gz MOKFUVTWPPWSBF-OAHLLOKOSA-N 2 0 290.455 1.753 10 0 CDAERP COc1cc2c(cc1OC)CC[NH+](C[C@H]1CC[NH2+]C1)CC2 ZINC000647882160 391135086 /nfs/dbraw/zinc/13/50/86/391135086.db2.gz QOKUZASFLYNFBR-ZDUSSCGKSA-N 2 0 290.407 1.714 10 0 CDAERP CCN(CC)C(=O)C1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000647882646 391138977 /nfs/dbraw/zinc/13/89/77/391138977.db2.gz IUUDSEWUTSWSCT-CYBMUJFWSA-N 2 0 267.417 1.176 10 0 CDAERP CC[NH+]1CCN(C[C@H](C)C[NH2+]CC2(F)CC2)CC1 ZINC000527031671 391252316 /nfs/dbraw/zinc/25/23/16/391252316.db2.gz SBDKLLUASOWBPN-CYBMUJFWSA-N 2 0 257.397 1.352 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@H]1C ZINC000347575746 391398097 /nfs/dbraw/zinc/39/80/97/391398097.db2.gz XZOMYVLKGYOUEQ-ZIAGYGMSSA-N 2 0 293.455 1.707 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000525928086 391429660 /nfs/dbraw/zinc/42/96/60/391429660.db2.gz VLGQYJYCNFLDCY-HUUCEWRRSA-N 2 0 298.475 1.746 10 0 CDAERP C[C@H](NC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)C(C)(C)C[NH+](C)C ZINC000417855351 391510973 /nfs/dbraw/zinc/51/09/73/391510973.db2.gz KZOLLCPZBBWUDM-MELADBBJSA-N 2 0 296.459 1.356 10 0 CDAERP CC1(C)C[C@H]([NH2+]CCCC[NH+]2CCOCC2)CO1 ZINC000417877672 391533456 /nfs/dbraw/zinc/53/34/56/391533456.db2.gz RTTNFDPDULAZNH-ZDUSSCGKSA-N 2 0 256.390 1.256 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)CC[NH2+]1 ZINC000417532734 391639678 /nfs/dbraw/zinc/63/96/78/391639678.db2.gz LQGKJOSEDRURKZ-KBUPBQIOSA-N 2 0 296.459 1.689 10 0 CDAERP O=C(C1CC[NH+](C2CC2)CC1)N1CCC[N@@H+](C2CC2)CC1 ZINC000194476457 391674381 /nfs/dbraw/zinc/67/43/81/391674381.db2.gz YOOFBXVFEKYAOA-UHFFFAOYSA-N 2 0 291.439 1.558 10 0 CDAERP COCC1(C[N@H+](C)CCCN2CC[NH+](C)CC2)CCC1 ZINC000361328848 391747203 /nfs/dbraw/zinc/74/72/03/391747203.db2.gz RYBZYEMATMCQKJ-UHFFFAOYSA-N 2 0 283.460 1.372 10 0 CDAERP C[NH+](C)Cc1cc(CNC(=O)N[C@@H]2CC[NH2+]C2)ccc1F ZINC000417659591 391724451 /nfs/dbraw/zinc/72/44/51/391724451.db2.gz LFQDEQDWYULBGF-CYBMUJFWSA-N 2 0 294.374 1.048 10 0 CDAERP COC(=O)c1ccc(Cl)c(CN[C@H](C)[C@H](C)[NH3+])c1 ZINC000415018270 391724965 /nfs/dbraw/zinc/72/49/65/391724965.db2.gz QMFXASUHZMJKHM-DTWKUNHWSA-N 2 0 270.760 1.952 10 0 CDAERP C[NH+](C)Cc1cc(CNC(=O)NCC(C)(C)[NH3+])ccc1F ZINC000417665849 391728270 /nfs/dbraw/zinc/72/82/70/391728270.db2.gz ZXTZMSCQCQOWFE-UHFFFAOYSA-N 2 0 296.390 1.424 10 0 CDAERP C[NH2+]C[C@@H](C)CNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000418141151 391761398 /nfs/dbraw/zinc/76/13/98/391761398.db2.gz XUMVMZBPCMEOIP-IYXRBSQSSA-N 2 0 282.432 1.158 10 0 CDAERP C[N@@H+]1CC[C@H](NC(=O)NCCC[NH3+])[C@H]1c1ccccc1 ZINC000417945229 391787072 /nfs/dbraw/zinc/78/70/72/391787072.db2.gz QLEIQEMFLAPLPC-UONOGXRCSA-N 2 0 276.384 1.080 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000418195625 391802960 /nfs/dbraw/zinc/80/29/60/391802960.db2.gz CIBLKOPLQFERBG-KFWWJZLASA-N 2 0 296.459 1.643 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000649298925 391934081 /nfs/dbraw/zinc/93/40/81/391934081.db2.gz LWGITJDNNJMTKD-NEPJUHHUSA-N 2 0 291.386 1.324 10 0 CDAERP CC1=C[C@@H](C)C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000430262795 391906660 /nfs/dbraw/zinc/90/66/60/391906660.db2.gz MVZQHTOHUVVLDM-CYBMUJFWSA-N 2 0 291.439 1.627 10 0 CDAERP O=C(CN1CCC[C@]2(CC[NH2+]C2)C1)NC1CCCCC1 ZINC000334979360 391990796 /nfs/dbraw/zinc/99/07/96/391990796.db2.gz FFMQAASGRHSTBN-MRXNPFEDSA-N 2 0 279.428 1.511 10 0 CDAERP CC[C@H](C)[C@H]([NH3+])C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000649319196 392012758 /nfs/dbraw/zinc/01/27/58/392012758.db2.gz NXGZNEAIWBPSJA-GWCFXTLKSA-N 2 0 273.340 1.579 10 0 CDAERP CN(C)c1nccc(C[N@H+](C)CC2CC[NH+](C)CC2)n1 ZINC000341316546 391958084 /nfs/dbraw/zinc/95/80/84/391958084.db2.gz RGCIAXCPXPVUCP-UHFFFAOYSA-N 2 0 277.416 1.316 10 0 CDAERP C[NH+](C)C[C@@H]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000365593260 391959980 /nfs/dbraw/zinc/95/99/80/391959980.db2.gz CMKQSFXADXRZMO-BBRMVZONSA-N 2 0 299.434 1.609 10 0 CDAERP C[C@H]1C[C@H](N(C)C(=O)c2ccc(C[NH3+])o2)CC[N@@H+]1C ZINC000646069025 391970410 /nfs/dbraw/zinc/97/04/10/391970410.db2.gz JEDIFSRODKQQRX-WDEREUQCSA-N 2 0 265.357 1.293 10 0 CDAERP CC1(C)C[NH2+][C@@H]1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000646069454 391970870 /nfs/dbraw/zinc/97/08/70/391970870.db2.gz BPRWNHWQRBUOIF-CQSZACIVSA-N 2 0 279.428 1.319 10 0 CDAERP Cc1ccncc1C[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000525980771 392021518 /nfs/dbraw/zinc/02/15/18/392021518.db2.gz VUCKBEDIJYRNQY-UHFFFAOYSA-N 2 0 276.428 1.507 10 0 CDAERP CC[C@@H]1C[C@H](C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)CCO1 ZINC000261976363 392028144 /nfs/dbraw/zinc/02/81/44/392028144.db2.gz ISKYHALIKINECC-RBSFLKMASA-N 2 0 252.402 1.877 10 0 CDAERP CC1=CCN(CC[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000423031381 392287115 /nfs/dbraw/zinc/28/71/15/392287115.db2.gz CZFRYIYRONCQHP-LSDHHAIUSA-N 2 0 251.418 1.888 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000568151599 392373856 /nfs/dbraw/zinc/37/38/56/392373856.db2.gz GGDOVHJBTZSXKJ-UHFFFAOYSA-N 2 0 287.407 1.404 10 0 CDAERP C[C@H]([NH2+]CCC[NH3+])c1ccc(OCc2nccn2C)cc1 ZINC000423174326 392415298 /nfs/dbraw/zinc/41/52/98/392415298.db2.gz AHHYEBRGPAHYED-ZDUSSCGKSA-N 2 0 288.395 1.999 10 0 CDAERP [NH3+][C@@H]1CCCCC[C@H]1NCCC[NH2+]Cc1cccnc1 ZINC000423181036 392420912 /nfs/dbraw/zinc/42/09/12/392420912.db2.gz CADMUYAESFFIHM-HZPDHXFCSA-N 2 0 276.428 1.811 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCCCCC[C@H]1[NH3+])[NH+]1CCCC1 ZINC000573918505 392464685 /nfs/dbraw/zinc/46/46/85/392464685.db2.gz MLUOFTZAGLUICU-QLFBSQMISA-N 2 0 281.444 1.885 10 0 CDAERP COc1ccc([C@H](NC[C@@H]([NH3+])C2CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423320061 392510844 /nfs/dbraw/zinc/51/08/44/392510844.db2.gz MAJPZCUSUKHODY-ZACQAIPSSA-N 2 0 289.423 1.815 10 0 CDAERP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000423405426 392556660 /nfs/dbraw/zinc/55/66/60/392556660.db2.gz TXZBAVTWRDTWQE-CLWVCHIJSA-N 2 0 261.413 1.533 10 0 CDAERP OCC[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CCOC1 ZINC000574308161 392567881 /nfs/dbraw/zinc/56/78/81/392567881.db2.gz PEDKMLNEUZIWHK-QBPKDAKJSA-N 2 0 296.455 1.676 10 0 CDAERP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccc(-n2cnnn2)cc1 ZINC000423387736 392570721 /nfs/dbraw/zinc/57/07/21/392570721.db2.gz IAXVJLAQFKRYMM-TYNCELHUSA-N 2 0 286.383 1.311 10 0 CDAERP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)C1CC1 ZINC000423512599 392582198 /nfs/dbraw/zinc/58/21/98/392582198.db2.gz OVQNTBARDUMRAU-LRVUVFPRSA-N 2 0 251.418 1.591 10 0 CDAERP CCN1CC[NH+](CCCC[NH2+][C@@H]2COC3(CCC3)C2)CC1 ZINC000657837401 413053325 /nfs/dbraw/zinc/05/33/25/413053325.db2.gz ZNVLCRXCHIUUOB-INIZCTEOSA-N 2 0 295.471 1.705 10 0 CDAERP Cn1cc(N2CCC[C@H]([NH2+][C@H]3CCCCC[C@H]3[NH3+])C2)cn1 ZINC000517123091 392837131 /nfs/dbraw/zinc/83/71/31/392837131.db2.gz PUIYLLUFOIZBRM-IMJJTQAJSA-N 2 0 291.443 1.639 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000195131860 393067380 /nfs/dbraw/zinc/06/73/80/393067380.db2.gz DWXOLGPPKYJFMT-AWEZNQCLSA-N 2 0 296.459 1.643 10 0 CDAERP CCc1nccn1[C@H](C)CC(=O)N[C@H](C)Cn1ccnc1 ZINC000648736288 393222520 /nfs/dbraw/zinc/22/25/20/393222520.db2.gz PAQUWRFEULORFT-CHWSQXEVSA-N 2 0 289.383 1.798 10 0 CDAERP CC(C)C[NH+]1CCC(NC(=O)N2CC[C@H]([NH+](C)C)C2)CC1 ZINC000170828050 393225410 /nfs/dbraw/zinc/22/54/10/393225410.db2.gz FEYDZXOZBYDGIB-HNNXBMFYSA-N 2 0 296.459 1.452 10 0 CDAERP CN(C(=O)CC[C@@H]1CCC[NH2+]1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000646873309 393202491 /nfs/dbraw/zinc/20/24/91/393202491.db2.gz PITFHNHUQNZRBH-ICIURTGMSA-N 2 0 265.401 1.260 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000232925377 393320447 /nfs/dbraw/zinc/32/04/47/393320447.db2.gz POXPZNUWUKPKIN-GJZGRUSLSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CCC(C[NH+]3CCCC3)CC2)CC[N@@H+]1C ZINC000648781996 393341919 /nfs/dbraw/zinc/34/19/19/393341919.db2.gz KVOHAMWRRHDFCO-GDBMZVCRSA-N 2 0 293.455 1.661 10 0 CDAERP [NH3+]CC1(CC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CCCCC1 ZINC000185350073 140038296 /nfs/dbraw/zinc/03/82/96/140038296.db2.gz MJIQCWKFEBXWNK-OAHLLOKOSA-N 2 0 293.455 1.982 10 0 CDAERP CCCn1cc(CN2CCC[C@@H]([C@@H](C)[NH3+])C2)cn1 ZINC000220203607 140168133 /nfs/dbraw/zinc/16/81/33/140168133.db2.gz OVDDYBIUFBXIQX-TZMCWYRMSA-N 2 0 250.390 1.852 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1([NH3+])CCCCC1 ZINC000251941625 140314899 /nfs/dbraw/zinc/31/48/99/140314899.db2.gz ZQBLUZIYTKJVDZ-OLZOCXBDSA-N 2 0 265.401 1.343 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000252201976 140317857 /nfs/dbraw/zinc/31/78/57/140317857.db2.gz UGRHZQRILWRANE-HZSPNIEDSA-N 2 0 267.417 1.495 10 0 CDAERP C[NH+](C/C=C\C[N@@H+](C)C[C@H]1CCCO1)C[C@@H]1CCCO1 ZINC000255371429 140337056 /nfs/dbraw/zinc/33/70/56/140337056.db2.gz RMHLXWDXDVSHLN-SSGMOAHOSA-N 2 0 282.428 1.764 10 0 CDAERP C[C@@H]([NH3+])CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261552884 140346125 /nfs/dbraw/zinc/34/61/25/140346125.db2.gz SAEACRUQPOYQHF-HIFRSBDPSA-N 2 0 275.396 1.457 10 0 CDAERP CN(C)[C@@H](CNC1=[NH+]CCCN1)c1ccsc1 ZINC000261740290 140383603 /nfs/dbraw/zinc/38/36/03/140383603.db2.gz ILLMCOJTLJGNGY-NSHDSACASA-N 2 0 252.387 1.290 10 0 CDAERP C[C@@H]([NH3+])CC(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000261838167 140396171 /nfs/dbraw/zinc/39/61/71/140396171.db2.gz KLLABOPVGYJVIG-SNVBAGLBSA-N 2 0 267.348 1.241 10 0 CDAERP [NH3+]CCC(=O)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000262936705 140435609 /nfs/dbraw/zinc/43/56/09/140435609.db2.gz MWPBUGSBQBMDNI-CYBMUJFWSA-N 2 0 293.436 1.568 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000335393096 140601904 /nfs/dbraw/zinc/60/19/04/140601904.db2.gz BMBFIXSUPBOQQA-GDBMZVCRSA-N 2 0 279.428 1.463 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN[C@@H](C[NH3+])C(F)(F)F ZINC000656193988 413088029 /nfs/dbraw/zinc/08/80/29/413088029.db2.gz AVMOEWCHKCSYSM-LBPRGKRZSA-N 2 0 299.300 1.555 10 0 CDAERP Cc1nccn1CCCNC(=O)N[C@@H](C)c1nccn1C ZINC000660395710 413097890 /nfs/dbraw/zinc/09/78/90/413097890.db2.gz POZGIBPYAIUGJI-NSHDSACASA-N 2 0 290.371 1.376 10 0 CDAERP CCC[NH+]1CCC([NH2+]C[C@@H](OC)[C@@H]2CCOC2)CC1 ZINC000658071259 413171557 /nfs/dbraw/zinc/17/15/57/413171557.db2.gz DDMBDVCINQOBQG-UKRRQHHQSA-N 2 0 270.417 1.502 10 0 CDAERP CN(CC[NH2+]CC1CC1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001663981569 1172797179 /nfs/dbraw/zinc/79/71/79/1172797179.db2.gz LGMYQIXMZWFCOT-MRXNPFEDSA-N 2 0 293.455 1.851 10 0 CDAERP COCC(C)(C)C[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000336790921 292197425 /nfs/dbraw/zinc/19/74/25/292197425.db2.gz MJZSBGDBDSVFAG-CYBMUJFWSA-N 2 0 258.406 1.095 10 0 CDAERP C[C@H](C(=O)N1CC[C@H]([NH3+])C(C)(C)C1)[C@@H]([NH3+])c1ccccc1 ZINC000262091789 149013916 /nfs/dbraw/zinc/01/39/16/149013916.db2.gz UNEPCLGLRMGNTK-AEGPPILISA-N 2 0 289.423 1.908 10 0 CDAERP Cc1ccc2cc(C[NH2+]C[C@@H]3C[NH2+]C[C@H]3O)ccc2n1 ZINC000262199460 149034262 /nfs/dbraw/zinc/03/42/62/149034262.db2.gz ZZLROFPYKAISRM-GDBMZVCRSA-N 2 0 271.364 1.213 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000335045148 150222860 /nfs/dbraw/zinc/22/28/60/150222860.db2.gz KYYZQPPZZMKDEE-MFKMUULPSA-N 2 0 258.325 1.062 10 0 CDAERP CC1=CC[N@H+](CCNC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000335186541 150384712 /nfs/dbraw/zinc/38/47/12/150384712.db2.gz KRYWBBUOPSMWPN-LSDHHAIUSA-N 2 0 292.427 1.032 10 0 CDAERP C[C@H]1C[N@H+](C)C[C@H]1NCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000343565511 152226020 /nfs/dbraw/zinc/22/60/20/152226020.db2.gz HSNNTNHFFHCNNM-XUWVNRHRSA-N 2 0 267.461 1.894 10 0 CDAERP C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000343872376 152334605 /nfs/dbraw/zinc/33/46/05/152334605.db2.gz SPABYSUUSFMNQU-GDBMZVCRSA-N 3 0 291.439 1.667 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@](C)(O)C1 ZINC000346169901 153081694 /nfs/dbraw/zinc/08/16/94/153081694.db2.gz KYGMOTJYUHUHCE-OAHLLOKOSA-N 2 0 272.352 1.532 10 0 CDAERP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)C[NH+]1CCCCC1 ZINC000347024350 153383709 /nfs/dbraw/zinc/38/37/09/153383709.db2.gz DFVMFZSVHLIVDS-HNNXBMFYSA-N 2 0 295.471 1.957 10 0 CDAERP [NH3+]CCCc1cn([C@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000656455970 413280118 /nfs/dbraw/zinc/28/01/18/413280118.db2.gz QRQPMYUUKRJHIN-INIZCTEOSA-N 2 0 285.395 1.616 10 0 CDAERP [NH3+]CCCc1cn([C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000656455972 413280589 /nfs/dbraw/zinc/28/05/89/413280589.db2.gz QRQPMYUUKRJHIN-MRXNPFEDSA-N 2 0 285.395 1.616 10 0 CDAERP CC(C)([NH3+])c1cn([C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000656456307 413282984 /nfs/dbraw/zinc/28/29/84/413282984.db2.gz XXJOSNAHUYBRCK-CQSZACIVSA-N 2 0 285.395 1.919 10 0 CDAERP C[N@H+](CCCn1ccnc1)Cc1ccc(-n2cncn2)cc1 ZINC000349359093 154098174 /nfs/dbraw/zinc/09/81/74/154098174.db2.gz YYQWFVMHWRGTJA-UHFFFAOYSA-N 2 0 296.378 1.986 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCCSC1 ZINC000349687176 154180633 /nfs/dbraw/zinc/18/06/33/154180633.db2.gz ZJPLBIHYOWYJEY-CYBMUJFWSA-N 2 0 260.447 1.830 10 0 CDAERP CC(C)[NH2+]CCC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000662687148 413315354 /nfs/dbraw/zinc/31/53/54/413315354.db2.gz URTIJMRQDMKLKK-OAHLLOKOSA-N 2 0 291.395 1.674 10 0 CDAERP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@@H]3CCC(=O)N3)CC2)C1 ZINC000658259283 413319420 /nfs/dbraw/zinc/31/94/20/413319420.db2.gz KAXDJYCPWNUTQY-CWRNSKLLSA-N 2 0 293.455 1.898 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N[C@@H](C)C[NH+](C)C)CC1 ZINC000353838191 156115570 /nfs/dbraw/zinc/11/55/70/156115570.db2.gz DGNQZKXEMYXVBR-ZDUSSCGKSA-N 2 0 284.448 1.358 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)CC[C@@H]2CCCC[NH+]2C)CC[N@@H+]1C ZINC000354067187 156252019 /nfs/dbraw/zinc/25/20/19/156252019.db2.gz ZJUSKNRCXPXUSR-KFWWJZLASA-N 2 0 281.444 1.850 10 0 CDAERP [NH3+][C@H](Cc1cn([C@H]2CCC[NH2+]C2)nn1)Cc1ccccc1 ZINC000656468484 413329477 /nfs/dbraw/zinc/32/94/77/413329477.db2.gz YMWFUXVTQSHDDS-HOCLYGCPSA-N 2 0 285.395 1.315 10 0 CDAERP CSCC[C@@H]([NH3+])C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000262595486 286670804 /nfs/dbraw/zinc/67/08/04/286670804.db2.gz WOJVVGIJBBCGJK-UONOGXRCSA-N 2 0 299.484 1.257 10 0 CDAERP O=C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)N1CCC1 ZINC000361563560 158906670 /nfs/dbraw/zinc/90/66/70/158906670.db2.gz LNUPCMNGEWDEKU-UHFFFAOYSA-N 2 0 265.401 1.027 10 0 CDAERP Cc1cccc2nc(CNC(=O)CC3([NH3+])CC3)cn21 ZINC000662726871 413390427 /nfs/dbraw/zinc/39/04/27/413390427.db2.gz ITBXJBDRUMZRIL-UHFFFAOYSA-N 2 0 258.325 1.140 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000362893339 159263388 /nfs/dbraw/zinc/26/33/88/159263388.db2.gz NSHASQYRGONVRW-INIZCTEOSA-N 2 0 295.471 1.909 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCC[C@H]1[NH3+])C[NH+]1CCCCC1 ZINC000251083558 298751731 /nfs/dbraw/zinc/75/17/31/298751731.db2.gz IJZNSIOBKVZKLN-MGPQQGTHSA-N 2 0 267.417 1.352 10 0 CDAERP CN(CC1C[NH+](C)C1)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000661072340 412089531 /nfs/dbraw/zinc/08/95/31/412089531.db2.gz YHSAAZQMDDAYFN-OAHLLOKOSA-N 2 0 294.443 1.206 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000653176026 412116197 /nfs/dbraw/zinc/11/61/97/412116197.db2.gz ICWQAQWEKXDVNZ-AWEZNQCLSA-N 2 0 255.406 1.080 10 0 CDAERP CC(C)([NH3+])c1cc(C(=O)NCCC[C@@H]2CCC[NH2+]2)on1 ZINC000662784569 413492407 /nfs/dbraw/zinc/49/24/07/413492407.db2.gz LLRCFJHZLQTDLX-JTQLQIEISA-N 2 0 280.372 1.130 10 0 CDAERP CCO[C@@H]1C[N@H+](Cc2ccc3c(c2)CCC3)C[C@H]1C[NH3+] ZINC000405279849 413533845 /nfs/dbraw/zinc/53/38/45/413533845.db2.gz AWGMCIAVYRLQIQ-IAGOWNOFSA-N 2 0 274.408 1.971 10 0 CDAERP C[C@@H](C(=O)N1CC[NH2+]CC1)[N@H+](C)C1CCCCC1 ZINC000035220702 172062815 /nfs/dbraw/zinc/06/28/15/172062815.db2.gz WNYLUPMUOXXJRD-LBPRGKRZSA-N 2 0 253.390 1.071 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662828786 413562149 /nfs/dbraw/zinc/56/21/49/413562149.db2.gz ZLURKNHFTDSVLC-UHFFFAOYSA-N 2 0 296.415 1.576 10 0 CDAERP C[N@H+](CCOc1cccc(C[NH3+])c1)[C@H]1CCSC1 ZINC000035725181 172379990 /nfs/dbraw/zinc/37/99/90/172379990.db2.gz APHRNTPWBKSHPM-ZDUSSCGKSA-N 2 0 266.410 1.961 10 0 CDAERP CCO[C@@H]1C[N@H+](CCOc2cc(C)cc(C)c2)C[C@H]1C[NH3+] ZINC000405830338 413699035 /nfs/dbraw/zinc/69/90/35/413699035.db2.gz ZJDHDCRJRKIDPG-NVXWUHKLSA-N 2 0 292.423 1.978 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)CC[NH2+]1 ZINC000663005863 413805299 /nfs/dbraw/zinc/80/52/99/413805299.db2.gz YVYCUYRXYDCVGG-BPUTZDHNSA-N 2 0 293.455 1.613 10 0 CDAERP [NH3+][C@H](CCC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)CC1CCCCC1 ZINC000659387031 413768799 /nfs/dbraw/zinc/76/87/99/413768799.db2.gz MGGYPMLBVHQBRP-RBSFLKMASA-N 2 0 299.434 1.962 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000659460064 413847015 /nfs/dbraw/zinc/84/70/15/413847015.db2.gz KAENPONDHSZBJY-RWMBFGLXSA-N 2 0 270.421 1.142 10 0 CDAERP CCCC[C@@H](C[NH3+])NC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659523980 413922039 /nfs/dbraw/zinc/92/20/39/413922039.db2.gz OSOQYNCTXDMWPR-NWDGAFQWSA-N 2 0 258.410 1.177 10 0 CDAERP Cn1nccc1[C@H]1CCC[C@H]([NH2+]CC23CC(C2)C[NH2+]3)C1 ZINC000665279370 414014397 /nfs/dbraw/zinc/01/43/97/414014397.db2.gz BBCLXPDNGVMFNU-WJEHIRDRSA-N 2 0 274.412 1.788 10 0 CDAERP Cc1nc(C[NH3+])ccc1[C@H](C)NCC12CC(C1)C[NH2+]2 ZINC000665279915 414019000 /nfs/dbraw/zinc/01/90/00/414019000.db2.gz PHUIIMYBJOGAKN-VLRKGOCCSA-N 2 0 260.385 1.251 10 0 CDAERP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000665281208 414021547 /nfs/dbraw/zinc/02/15/47/414021547.db2.gz XFJAVXLMAHJZFN-SMDDNHRTSA-N 2 0 299.440 1.358 10 0 CDAERP C[C@@H](NCCC[NH+]1CCCC1)[C@H]1CCC[N@H+](C)C1 ZINC000037220936 173039032 /nfs/dbraw/zinc/03/90/32/173039032.db2.gz GKVMHRHOMSYUOK-CABCVRRESA-N 2 0 253.434 1.792 10 0 CDAERP C[C@H]([NH2+]CCCn1ccnc1)[C@@H]1CCC[N@H+](C)C1 ZINC000037222053 173042257 /nfs/dbraw/zinc/04/22/57/173042257.db2.gz VPSLNMLSLOEJFM-UONOGXRCSA-N 2 0 250.390 1.593 10 0 CDAERP CC[C@@H]1CC[C@H](C[NH3+])[C@H]([N@H+](C)CC(=O)N(C)C)C1 ZINC000037270174 173081754 /nfs/dbraw/zinc/08/17/54/173081754.db2.gz KVCWYWGXKZYKIK-JHJVBQTASA-N 2 0 255.406 1.160 10 0 CDAERP CC[C@H]1C[N@H+](C)CCN1C(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000665356284 414096676 /nfs/dbraw/zinc/09/66/76/414096676.db2.gz LNRACKFQQZDUQB-KBPBESRZSA-N 2 0 296.459 1.595 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CN1C1CC1 ZINC000655806303 414197237 /nfs/dbraw/zinc/19/72/37/414197237.db2.gz URYOGLJHJMAUGY-CXTNEJHOSA-N 2 0 251.418 1.541 10 0 CDAERP CN(C)C(=O)N1CCC([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000655805837 414198591 /nfs/dbraw/zinc/19/85/91/414198591.db2.gz UAEPMOAPDSAPBG-XBXGTLAGSA-N 2 0 282.432 1.062 10 0 CDAERP [NH3+]CCN(CCc1ccccc1)C[C@]12C[C@H]1C[NH2+]C2 ZINC000663494349 414287494 /nfs/dbraw/zinc/28/74/94/414287494.db2.gz NZCOFDFNQGVEKV-JKSUJKDBSA-N 2 0 259.397 1.099 10 0 CDAERP CC[C@H]1CCC[C@H](C[N@@H+]2CCOC3(CNC3)C2)C1 ZINC000663513010 414317663 /nfs/dbraw/zinc/31/76/63/414317663.db2.gz QFSUUAREZMXFJA-KBPBESRZSA-N 2 0 252.402 1.877 10 0 CDAERP C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCC12CC(C1)C[NH2+]2 ZINC000663500533 414301506 /nfs/dbraw/zinc/30/15/06/414301506.db2.gz LAVCZJQZDCXZMD-LQULJDIASA-N 2 0 251.418 1.639 10 0 CDAERP CC[C@@H]1C[C@@H]([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)CO1 ZINC000657419580 414313715 /nfs/dbraw/zinc/31/37/15/414313715.db2.gz NPFKPWSATVWSAD-KFWWJZLASA-N 2 0 299.459 1.236 10 0 CDAERP O[C@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)C1CCC1 ZINC000657485196 414380773 /nfs/dbraw/zinc/38/07/73/414380773.db2.gz VMFDXGXMAXKKDE-OAHLLOKOSA-N 2 0 272.352 1.518 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)CN(C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000659984964 414325667 /nfs/dbraw/zinc/32/56/67/414325667.db2.gz ZJOQZNHRVKPDQY-KKUMJFAQSA-N 2 0 271.449 1.102 10 0 CDAERP CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657439767 414329125 /nfs/dbraw/zinc/32/91/25/414329125.db2.gz FWRNDRDTCAADCI-UONOGXRCSA-N 2 0 272.352 1.516 10 0 CDAERP O=C(C[N@@H+]1CC[C@H]2C[C@H]2C1)NC1CC[NH+](C2CC2)CC1 ZINC000661976283 414455522 /nfs/dbraw/zinc/45/55/22/414455522.db2.gz USSDANPODYQGGC-STQMWFEESA-N 2 0 277.412 1.071 10 0 CDAERP CC[C@@H]1C[C@@H](C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)CCO1 ZINC000349802292 287283861 /nfs/dbraw/zinc/28/38/61/287283861.db2.gz NJGZRYCAXNNLFG-IXDOHACOSA-N 2 0 297.487 1.807 10 0 CDAERP O=C([C@@H]1CCC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1)N1CC[NH2+]CC1 ZINC000662242364 414581227 /nfs/dbraw/zinc/58/12/27/414581227.db2.gz CXQRXXYEQCQXBB-LVQVYYBASA-N 2 0 291.439 1.176 10 0 CDAERP CCOC1CC[NH+](C[C@H](O)c2ccc(C[NH3+])cc2)CC1 ZINC000040678459 174374634 /nfs/dbraw/zinc/37/46/34/174374634.db2.gz JKUMUCOBZITDNT-INIZCTEOSA-N 2 0 278.396 1.680 10 0 CDAERP CC[C@H]([NH3+])[C@H](c1ccccn1)N1CCC[N@H+](C)CC1 ZINC000043338995 175013311 /nfs/dbraw/zinc/01/33/11/175013311.db2.gz HFOXYEVTTIKJOO-DZGCQCFKSA-N 2 0 262.401 1.498 10 0 CDAERP CCC[NH+]1CCN([C@@H](c2cccnc2)[C@@H]([NH3+])CC)CC1 ZINC000043345650 175016648 /nfs/dbraw/zinc/01/66/48/175016648.db2.gz GTBQUAFORVSNSB-HOTGVXAUSA-N 2 0 276.428 1.888 10 0 CDAERP COc1ccccc1CN1CCC[N@H+](C[C@@H](C)C[NH3+])CC1 ZINC000043457218 175050236 /nfs/dbraw/zinc/05/02/36/175050236.db2.gz AGMLNTPWMZSUTL-HNNXBMFYSA-N 2 0 291.439 1.798 10 0 CDAERP CC[NH2+][C@H](C)CN1CCC([NH+]2CCCCC2)CC1 ZINC000043907843 175123153 /nfs/dbraw/zinc/12/31/53/175123153.db2.gz UBTMVPDQWLXCFB-CQSZACIVSA-N 2 0 253.434 1.935 10 0 CDAERP C[NH2+][C@H]1CCCCC[C@H]1N1CC[NH+](C2CC2)CC1 ZINC000043967524 175128598 /nfs/dbraw/zinc/12/85/98/175128598.db2.gz QZAIINDKPMTHFE-LSDHHAIUSA-N 2 0 251.418 1.687 10 0 CDAERP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N1CC[NH+](C2CC2)CC1 ZINC000043967669 175128935 /nfs/dbraw/zinc/12/89/35/175128935.db2.gz MUVZEGWDXOYQPM-IMJJTQAJSA-N 2 0 265.445 1.933 10 0 CDAERP CCC[NH2+][C@H](C)[C@@H](C)N1CC[NH+](CC2CC2)CC1 ZINC000043968028 175128968 /nfs/dbraw/zinc/12/89/68/175128968.db2.gz CTDRINIBKBKZSO-ZIAGYGMSSA-N 2 0 253.434 1.791 10 0 CDAERP CC[NH2+][C@H]1CCC[C@H]1N1CC[NH+](CC2CC2)CC1 ZINC000043967936 175129046 /nfs/dbraw/zinc/12/90/46/175129046.db2.gz NOOWMXAJBZRWIQ-LSDHHAIUSA-N 2 0 251.418 1.545 10 0 CDAERP Cc1ccn2c(c1)nc(C[NH+]1CCC(C[NH3+])CC1)cc2=O ZINC000044514161 175189516 /nfs/dbraw/zinc/18/95/16/175189516.db2.gz QVRLOOGCVMQAGP-UHFFFAOYSA-N 2 0 286.379 1.174 10 0 CDAERP CC[NH+]1CCC(C[NH2+][C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000044518683 175191125 /nfs/dbraw/zinc/19/11/25/175191125.db2.gz CKFQJRKILIPKGV-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[NH2+][C@@H]1CCN(CC2CC[NH+](CC)CC2)C1 ZINC000044518835 175191573 /nfs/dbraw/zinc/19/15/73/175191573.db2.gz QAIVPPDWPUBKAA-OAHLLOKOSA-N 2 0 253.434 1.792 10 0 CDAERP C[C@H]1CC[NH+](CC2CC[NH+](C)CC2)CC[C@H](C)[NH2+]1 ZINC000044526820 175191963 /nfs/dbraw/zinc/19/19/63/175191963.db2.gz TZOIEOCURIGMMC-KBPBESRZSA-N 3 0 253.434 1.791 10 0 CDAERP CC[C@H]1CCN(CC2CC[NH+](CC)CC2)CC[NH2+]1 ZINC000044526832 175192050 /nfs/dbraw/zinc/19/20/50/175192050.db2.gz QKDJDBPBKUVMJM-HNNXBMFYSA-N 2 0 253.434 1.792 10 0 CDAERP CCC[NH2+]CC(=O)N(CC[NH+](CC)CC)CC(C)C ZINC000044650264 175224369 /nfs/dbraw/zinc/22/43/69/175224369.db2.gz PNCNTKUBPLAOEF-UHFFFAOYSA-N 2 0 271.449 1.812 10 0 CDAERP c1ccc2c(c1)C[NH2+][C@H](CN[C@@H]1CC[N@@H+](C3CC3)C1)C2 ZINC000044679517 175228453 /nfs/dbraw/zinc/22/84/53/175228453.db2.gz ZMVBBZOGTYYSMH-CVEARBPZSA-N 2 0 271.408 1.527 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)C1(C[NH3+])CCCC1 ZINC000044763699 175247714 /nfs/dbraw/zinc/24/77/14/175247714.db2.gz GYGTYMLRTPJJQX-GFCCVEGCSA-N 2 0 255.406 1.208 10 0 CDAERP CCC(CC)(C[NH3+])C(=O)N(CC[NH+](C)C)CC(C)C ZINC000044764255 175248264 /nfs/dbraw/zinc/24/82/64/175248264.db2.gz XGQKEFMJCANNBZ-UHFFFAOYSA-N 2 0 271.449 1.798 10 0 CDAERP C[N@@H+]1CCC[C@H](CNC(=O)C2(C[NH3+])CCCCC2)C1 ZINC000044764397 175248730 /nfs/dbraw/zinc/24/87/30/175248730.db2.gz GVEUNPAOAYIHSB-CYBMUJFWSA-N 2 0 267.417 1.354 10 0 CDAERP CCC[C@H](C[NH3+])C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000045135570 175313495 /nfs/dbraw/zinc/31/34/95/175313495.db2.gz FDIRJWCVIZDKRV-CHWSQXEVSA-N 2 0 255.406 1.208 10 0 CDAERP CCCC[N@H+](CC)CCC[C@@](C)([NH2+]C1CC1)C(N)=O ZINC000045370795 175364258 /nfs/dbraw/zinc/36/42/58/175364258.db2.gz HZNLOTCHDGJHOS-OAHLLOKOSA-N 2 0 269.433 1.885 10 0 CDAERP CCOC(=O)[C@@](C)([NH3+])CCCCN1CC[NH+](C(C)C)CC1 ZINC000045393799 175376192 /nfs/dbraw/zinc/37/61/92/175376192.db2.gz AXYLTSMXIVHZGN-INIZCTEOSA-N 2 0 299.459 1.463 10 0 CDAERP CC[C@]1(C)C[C@](C[NH3+])(N(C)CCC[NH+](C)C)CCO1 ZINC000070366621 175896651 /nfs/dbraw/zinc/89/66/51/175896651.db2.gz XWLXXJHEPOKFIZ-HUUCEWRRSA-N 2 0 271.449 1.547 10 0 CDAERP CCC[NH2+][C@@H]1CCCN(C2CC[NH+](CCC)CC2)C1=O ZINC000071032029 176023222 /nfs/dbraw/zinc/02/32/22/176023222.db2.gz JZFUZYNFQYJXPT-OAHLLOKOSA-N 2 0 281.444 1.851 10 0 CDAERP C[NH2+][C@@H]1CCCN([C@@H](C)C[NH+]2CCCCC2)C1=O ZINC000071037365 176026120 /nfs/dbraw/zinc/02/61/20/176026120.db2.gz JFKJRRZCBDNQIZ-QWHCGFSZSA-N 2 0 253.390 1.071 10 0 CDAERP CC[NH+](CC)CCC[C@@H](C)N1CCC[C@H]([NH2+]C)C1=O ZINC000071038074 176026877 /nfs/dbraw/zinc/02/68/77/176026877.db2.gz ZWEWWNRCRTZHBD-KGLIPLIRSA-N 2 0 269.433 1.707 10 0 CDAERP CC[C@H]1CCC[C@@H]([N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000071126382 176035705 /nfs/dbraw/zinc/03/57/05/176035705.db2.gz SHHUJNGMEFYGLB-SOUVJXGZSA-N 2 0 281.444 1.742 10 0 CDAERP CC[C@H]1CCCC[C@@H]1[NH2+]CCN1CC[NH+](C)CC1 ZINC000071161077 176046180 /nfs/dbraw/zinc/04/61/80/176046180.db2.gz YUUFRPNJQXFZTK-GJZGRUSLSA-N 2 0 253.434 1.792 10 0 CDAERP CN(C[C@H]1CC[N@H+](C)C1)[C@@H](CC[NH3+])c1ccccc1 ZINC000071188236 176062545 /nfs/dbraw/zinc/06/25/45/176062545.db2.gz BDOQWSVXIKUKFK-HOCLYGCPSA-N 2 0 261.413 1.960 10 0 CDAERP CC[C@H]([NH3+])[C@H](N(C)C[C@@H]1CC[N@H+](C)C1)C(F)(F)F ZINC000071188142 176062890 /nfs/dbraw/zinc/06/28/90/176062890.db2.gz LKOBWDYTHWSJAO-VWYCJHECSA-N 2 0 267.339 1.538 10 0 CDAERP C[NH2+][C@@H](C)c1cnc(N(C)C[C@@H]2CC[N@H+](C)C2)s1 ZINC000071192520 176074553 /nfs/dbraw/zinc/07/45/53/176074553.db2.gz ZAYFMXQATHEFPG-WDEREUQCSA-N 2 0 268.430 1.811 10 0 CDAERP Cc1nc(N(C)C[C@H]2CC[N@H+](C)C2)sc1C[NH3+] ZINC000071192592 176074556 /nfs/dbraw/zinc/07/45/56/176074556.db2.gz APPCFZWRVIIWAT-JTQLQIEISA-N 2 0 254.403 1.298 10 0 CDAERP CC[NH2+][C@@H]1CCCN(CC2CC[NH+](CC)CC2)C1 ZINC000071200984 176077928 /nfs/dbraw/zinc/07/79/28/176077928.db2.gz VFFSONRIBLNVQO-OAHLLOKOSA-N 2 0 253.434 1.792 10 0 CDAERP COCC[N@H+](CCC[NH3+])Cc1ccc(OC)cc1 ZINC000071224666 176088317 /nfs/dbraw/zinc/08/83/17/176088317.db2.gz JNMFUILXUASEIP-UHFFFAOYSA-N 2 0 252.358 1.492 10 0 CDAERP C[N@H+](Cc1ccc(F)cc1C(N)=[NH2+])C1CCOCC1 ZINC000071267710 176101107 /nfs/dbraw/zinc/10/11/07/176101107.db2.gz KRROZUZBNFJNPU-UHFFFAOYSA-N 2 0 265.332 1.721 10 0 CDAERP CC[NH2+]CCCCCC[N@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000071288297 176110540 /nfs/dbraw/zinc/11/05/40/176110540.db2.gz AFTGPUHNMRXYBH-ZDUSSCGKSA-N 2 0 276.446 1.275 10 0 CDAERP CCOC(=O)CCCCC[N@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000071293468 176111573 /nfs/dbraw/zinc/11/15/73/176111573.db2.gz GNSHAQBIMYKQGG-CQSZACIVSA-N 2 0 270.417 1.993 10 0 CDAERP C[C@@H]1C[C@H](C(=O)NCC[N@H+](C)C2CCCC2)CC[C@@H]1[NH3+] ZINC000071380114 176144318 /nfs/dbraw/zinc/14/43/18/176144318.db2.gz YWHKSEBETQFCRN-NFAWXSAZSA-N 2 0 281.444 1.741 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NC1CC[NH+](C)CC1 ZINC000078511744 177348502 /nfs/dbraw/zinc/34/85/02/177348502.db2.gz NBPCNOZGVBVCGR-GFCCVEGCSA-N 2 0 270.421 1.110 10 0 CDAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000418062047 227993669 /nfs/dbraw/zinc/99/36/69/227993669.db2.gz FURLRNZLKBZFMK-UONOGXRCSA-N 2 0 296.459 1.406 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655446791 423863567 /nfs/dbraw/zinc/86/35/67/423863567.db2.gz AZZSKFVKYUOTJW-QSJFSLAZSA-N 2 0 293.455 1.755 10 0 CDAERP CN(C(=O)[C@@H]1C[C@]12CCC[NH2+]C2)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000655446690 423865185 /nfs/dbraw/zinc/86/51/85/423865185.db2.gz HTNKKDYUZRWXGM-YCPHGPKFSA-N 2 0 277.412 1.071 10 0 CDAERP FC1(F)C[C@@H]1OCC[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000662273577 423835285 /nfs/dbraw/zinc/83/52/85/423835285.db2.gz OQHBBBZHNIKISL-UPJWGTAASA-N 2 0 274.355 1.732 10 0 CDAERP C[N@H+](CCc1cnccn1)Cc1cccc2c1CC[NH2+]C2 ZINC000662276940 423851006 /nfs/dbraw/zinc/85/10/06/423851006.db2.gz AZBRWMQBSDXSIT-UHFFFAOYSA-N 2 0 282.391 1.797 10 0 CDAERP CC1(C)CCCC[C@@H]1C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000662284842 423901942 /nfs/dbraw/zinc/90/19/42/423901942.db2.gz ZCFOFDCSHVIVDG-CYBMUJFWSA-N 2 0 254.418 1.988 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCCC1(C[NH3+])CC1 ZINC000652148306 423967094 /nfs/dbraw/zinc/96/70/94/423967094.db2.gz UUAIGBODFHTFOQ-OKILXGFUSA-N 2 0 296.459 1.678 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000652215531 424070648 /nfs/dbraw/zinc/07/06/48/424070648.db2.gz TUONVHLKZLXXJU-HNNXBMFYSA-N 2 0 290.411 1.347 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000652225340 424088329 /nfs/dbraw/zinc/08/83/29/424088329.db2.gz WNOICNNXPGFVON-ZIAGYGMSSA-N 2 0 284.448 1.533 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)C2CCC([NH3+])CC2)CC[N@@H+]1C ZINC000130880979 424042930 /nfs/dbraw/zinc/04/29/30/424042930.db2.gz AQMAVKFKEWZLRN-XVSSEFHLSA-N 2 0 253.390 1.103 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000652202878 424055303 /nfs/dbraw/zinc/05/53/03/424055303.db2.gz WUTRKLCLOGXKJE-LSDHHAIUSA-N 2 0 298.475 1.652 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1)C1CCCCC1 ZINC000653109781 424275159 /nfs/dbraw/zinc/27/51/59/424275159.db2.gz MGVHJDJURUSRJP-CVEARBPZSA-N 2 0 293.455 1.898 10 0 CDAERP CC[NH+](CC)CCCCNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653110318 424278368 /nfs/dbraw/zinc/27/83/68/424278368.db2.gz CQDQHMKKSLSNKR-LSDHHAIUSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000659618275 424412984 /nfs/dbraw/zinc/41/29/84/424412984.db2.gz FLLWEBJGYDFSNU-GUTXKFCHSA-N 2 0 282.432 1.130 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000659619749 424415002 /nfs/dbraw/zinc/41/50/02/424415002.db2.gz TVGBSEDRIALTQR-CQSZACIVSA-N 2 0 296.459 1.535 10 0 CDAERP CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653156298 424554437 /nfs/dbraw/zinc/55/44/37/424554437.db2.gz XEUREAJUYLMNPZ-KBPBESRZSA-N 2 0 265.401 1.070 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CC)C(C)C ZINC001667465157 1173272710 /nfs/dbraw/zinc/27/27/10/1173272710.db2.gz ULAOOWPYNVUOSW-UONOGXRCSA-N 2 0 269.433 1.611 10 0 CDAERP CC[NH+]1CCN([C@H]2CC[N@H+](CCSC)C2)CC1 ZINC000171529872 276200698 /nfs/dbraw/zinc/20/06/98/276200698.db2.gz UPNSMPRBUQNPJH-ZDUSSCGKSA-N 2 0 257.447 1.061 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000250217608 270305883 /nfs/dbraw/zinc/30/58/83/270305883.db2.gz DIYNTUDMVBYWJK-XHSDSOJGSA-N 2 0 293.455 1.755 10 0 CDAERP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])COc2ccccc2O1 ZINC000530208656 271151437 /nfs/dbraw/zinc/15/14/37/271151437.db2.gz GOBIEUQVMVTGGC-IOASZLSFSA-N 2 0 276.380 1.934 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC[C@H]1CCCOC1 ZINC000530211698 271153580 /nfs/dbraw/zinc/15/35/80/271153580.db2.gz ODCWQBRKKXGTAN-RFQIPJPRSA-N 2 0 256.390 1.145 10 0 CDAERP CC(C)C[C@H](C)C[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530221472 271163551 /nfs/dbraw/zinc/16/35/51/271163551.db2.gz DNVJQBJFBXDTMY-HNNXBMFYSA-N 2 0 296.459 1.311 10 0 CDAERP CN1C(=O)c2ccccc2[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000530222956 271164764 /nfs/dbraw/zinc/16/47/64/271164764.db2.gz IVPMWVHMBYAKGM-GYVWXKFASA-N 2 0 285.391 1.686 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H](C[NH3+])C1CCCC1)[C@@H](C)[NH3+] ZINC000423966441 276013427 /nfs/dbraw/zinc/01/34/27/276013427.db2.gz RXAOXBUYRDKUSD-RTXFEEFZSA-N 2 0 255.406 1.240 10 0 CDAERP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000356314115 276207480 /nfs/dbraw/zinc/20/74/80/276207480.db2.gz ZDXATHBHDUWTEE-ZIAGYGMSSA-N 2 0 299.459 1.380 10 0 CDAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)CCn2cccn2)C1 ZINC000157608884 276212354 /nfs/dbraw/zinc/21/23/54/276212354.db2.gz UCYCPDPXJGHAKG-KBPBESRZSA-N 2 0 250.390 1.593 10 0 CDAERP CCN1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CC1=O ZINC000453355503 276253368 /nfs/dbraw/zinc/25/33/68/276253368.db2.gz LOIJBYFWMHKLFU-XJFOESAGSA-N 2 0 265.401 1.070 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000372901921 276361863 /nfs/dbraw/zinc/36/18/63/276361863.db2.gz KEVTVEOQPGJOTG-HZSPNIEDSA-N 2 0 265.401 1.214 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)CC1 ZINC000341404427 277032212 /nfs/dbraw/zinc/03/22/12/277032212.db2.gz NKDKOLPOQPQRQA-HRCADAONSA-N 2 0 296.455 1.628 10 0 CDAERP C[NH+]1CCN(CCC[NH2+][C@@H]2CC[C@@H]2C2CCC2)CC1 ZINC000337998219 277105402 /nfs/dbraw/zinc/10/54/02/277105402.db2.gz RHZCRPJOGHGDFD-HZPDHXFCSA-N 2 0 265.445 1.792 10 0 CDAERP C[C@H](CC[NH2+]Cc1cncs1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001668309357 1173394551 /nfs/dbraw/zinc/39/45/51/1173394551.db2.gz HUIUETDHRCDORV-NEPJUHHUSA-N 2 0 296.440 1.079 10 0 CDAERP C[C@@H]([NH2+]CCC[NH3+])c1ccc2c(c1)OCCCO2 ZINC000037713337 278344253 /nfs/dbraw/zinc/34/42/53/278344253.db2.gz YEMZLIAIRBDGQC-LLVKDONJSA-N 2 0 250.342 1.847 10 0 CDAERP CC(C)([NH3+])C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000334281816 278626911 /nfs/dbraw/zinc/62/69/11/278626911.db2.gz SSTAGKQCHCBSEC-UHFFFAOYSA-N 2 0 251.305 1.147 10 0 CDAERP CC[N@H+](CC(=O)N1CCC[NH+](C2CC2)CC1)C1CC1 ZINC000179163979 279049741 /nfs/dbraw/zinc/04/97/41/279049741.db2.gz ZUFXCOBXQZLAIT-UHFFFAOYSA-N 2 0 265.401 1.167 10 0 CDAERP CC[NH+](CC)[C@H](C)CN[C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000423084957 279160979 /nfs/dbraw/zinc/16/09/79/279160979.db2.gz JEWMUTVDIFDIIA-BFHYXJOUSA-N 2 0 257.422 1.073 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@H]1CCOC1 ZINC000346135031 279186085 /nfs/dbraw/zinc/18/60/85/279186085.db2.gz GINNUARPMWLPGC-HNNXBMFYSA-N 2 0 272.352 1.796 10 0 CDAERP CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000178747798 280116563 /nfs/dbraw/zinc/11/65/63/280116563.db2.gz WYHOCIDVUYMHQF-DGCLKSJQSA-N 2 0 253.390 1.057 10 0 CDAERP C[C@]1(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)CC[NH2+]C1 ZINC000261705635 280154996 /nfs/dbraw/zinc/15/49/96/280154996.db2.gz CZVOTHJDZUQRNZ-UPJWGTAASA-N 2 0 256.415 1.192 10 0 CDAERP CC(C)[C@H](C(=O)N[C@@H](C[NH3+])C1CC1)[NH+]1CCCCC1 ZINC000159193814 280178586 /nfs/dbraw/zinc/17/85/86/280178586.db2.gz DXNLRHLPGSZTQH-UONOGXRCSA-N 2 0 267.417 1.350 10 0 CDAERP CCC[C@H](C(=O)N(C)CC1CC[NH+](C)CC1)[NH+](C)C ZINC000152387264 289130655 /nfs/dbraw/zinc/13/06/55/289130655.db2.gz JIVPXTAEZKZOPU-CQSZACIVSA-N 2 0 269.433 1.517 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)C1([NH3+])CCOCC1)C1CCCCC1 ZINC000261897556 289276551 /nfs/dbraw/zinc/27/65/51/289276551.db2.gz RDTJINOJZRFRMQ-AWEZNQCLSA-N 2 0 297.443 1.121 10 0 CDAERP C[C@H](C(=O)N1CC[NH+]2CCC[C@H]2C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245202837 289287864 /nfs/dbraw/zinc/28/78/64/289287864.db2.gz WHWIHCGSNFUERY-BARDWOONSA-N 2 0 279.428 1.554 10 0 CDAERP C[C@H](C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000367788322 289303670 /nfs/dbraw/zinc/30/36/70/289303670.db2.gz AHCSUGOTICQGJD-QKGCVVFFSA-N 2 0 279.428 1.458 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000417854095 289379129 /nfs/dbraw/zinc/37/91/29/289379129.db2.gz PPPWDIZMCHWYIF-XQLPTFJDSA-N 2 0 294.443 1.395 10 0 CDAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Cc1ccccc1 ZINC000551763105 290015267 /nfs/dbraw/zinc/01/52/67/290015267.db2.gz ROJQPYAYIDOWGZ-UHFFFAOYSA-N 2 0 277.412 1.181 10 0 CDAERP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(NC(N)=O)cc1 ZINC000133728346 290046308 /nfs/dbraw/zinc/04/63/08/290046308.db2.gz SRSPIMSIEGWIHI-AAEUAGOBSA-N 2 0 276.384 1.970 10 0 CDAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+]1CCC[C@H](C)C1 ZINC000561145827 293054716 /nfs/dbraw/zinc/05/47/16/293054716.db2.gz JZNSGOPTRWBMKV-ZNMIVQPWSA-N 2 0 281.444 1.565 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000423017894 293097386 /nfs/dbraw/zinc/09/73/86/293097386.db2.gz PUKNDQPRHWWHHG-FQUUOJAGSA-N 2 0 268.401 1.288 10 0 CDAERP C[C@H](NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)[C@@H]1CCC[NH2+]C1 ZINC000562814848 293203623 /nfs/dbraw/zinc/20/36/23/293203623.db2.gz KNGQBRWRCITJMV-SQWLQELKSA-N 2 0 294.443 1.160 10 0 CDAERP CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1 ZINC000562983619 293233581 /nfs/dbraw/zinc/23/35/81/293233581.db2.gz AFLZIXXZTRWHKY-IKGGRYGDSA-N 2 0 297.487 1.399 10 0 CDAERP C[NH2+]C1CCN(C(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000563101119 293274915 /nfs/dbraw/zinc/27/49/15/293274915.db2.gz XGTCSIFJDQRJMT-CHWSQXEVSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000565479294 293619591 /nfs/dbraw/zinc/61/95/91/293619591.db2.gz TXSRNQRNOGGIIV-UONOGXRCSA-N 2 0 296.459 1.630 10 0 CDAERP [NH3+]CCC1CCN(C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000570578970 294266730 /nfs/dbraw/zinc/26/67/30/294266730.db2.gz YNRZYWMCRXZYME-CABCVRRESA-N 2 0 281.444 1.872 10 0 CDAERP C[C@H](CCCC[NH3+])NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000570841702 294321119 /nfs/dbraw/zinc/32/11/19/294321119.db2.gz LSZXJCGYIZQPNZ-ZIAGYGMSSA-N 2 0 269.433 1.885 10 0 CDAERP C[C@@H](CC(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1)C1CC[NH2+]CC1 ZINC000571207363 294389156 /nfs/dbraw/zinc/38/91/56/294389156.db2.gz ZBFSATKIUWJPKN-WOSRLPQWSA-N 2 0 281.444 1.456 10 0 CDAERP C[NH2+][C@H](C)Cc1noc([C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)n1 ZINC000574571822 295020842 /nfs/dbraw/zinc/02/08/42/295020842.db2.gz PUDSDKRYBJLHCK-KXNHARMFSA-N 2 0 264.373 1.813 10 0 CDAERP CC[C@@]1(C(=O)N2CC3CCC2(C[NH3+])CC3)CCC[NH2+]1 ZINC000574885497 295070340 /nfs/dbraw/zinc/07/03/40/295070340.db2.gz DAEZNAZEVIJUEU-ZALBZXLWSA-N 2 0 265.401 1.249 10 0 CDAERP [NH3+]C1CCC([NH2+]CC2(CO)CC3(CCC3)C2)CC1 ZINC000333303982 295212052 /nfs/dbraw/zinc/21/20/52/295212052.db2.gz QOGDEQSQIORDBC-UHFFFAOYSA-N 2 0 252.402 1.789 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000262430566 295255361 /nfs/dbraw/zinc/25/53/61/295255361.db2.gz JFPSFTPBKXJCDL-QMVSFRDZSA-N 2 0 265.401 1.151 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000418601188 297106101 /nfs/dbraw/zinc/10/61/01/297106101.db2.gz UDPCMWPNWKHRLU-YCPHGPKFSA-N 2 0 294.443 1.112 10 0 CDAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000416824853 300325757 /nfs/dbraw/zinc/32/57/57/300325757.db2.gz PQZXXUVZEQFQAM-UONOGXRCSA-N 2 0 296.459 1.548 10 0 CDAERP CCC[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001669649596 1173580344 /nfs/dbraw/zinc/58/03/44/1173580344.db2.gz PBRAOFAVFSLFLE-AVGNSLFASA-N 2 0 255.406 1.221 10 0 CDAERP COc1ccc(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)cc1OC ZINC000400393480 533696951 /nfs/dbraw/zinc/69/69/51/533696951.db2.gz JKGBKPRCMNMDSH-YPMHNXCESA-N 2 0 264.369 1.791 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)C1CCCCC1 ZINC000346275661 316046407 /nfs/dbraw/zinc/04/64/07/316046407.db2.gz RARDNZMXIZURTH-ZIAGYGMSSA-N 2 0 281.444 1.885 10 0 CDAERP NCC(F)(F)CC(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000563818830 316377553 /nfs/dbraw/zinc/37/75/53/316377553.db2.gz BEIZYYBXOHATOA-UHFFFAOYSA-N 2 0 272.299 1.100 10 0 CDAERP C[C@@H]1CN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)[C@H](C)C[NH2+]1 ZINC000575986169 317052349 /nfs/dbraw/zinc/05/23/49/317052349.db2.gz SMSDOOUKAMQQMH-MCIONIFRSA-N 2 0 267.417 1.460 10 0 CDAERP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCCC23CC3)C1 ZINC000576362138 317127120 /nfs/dbraw/zinc/12/71/20/317127120.db2.gz UXGWEAGXYPSDAG-UONOGXRCSA-N 2 0 279.428 1.496 10 0 CDAERP C[N@H+](C[C@H](O)CNC1CC([NH+]2CCCCC2)C1)C1CC1 ZINC000576747374 317198932 /nfs/dbraw/zinc/19/89/32/317198932.db2.gz RDDHYXIBVCPIBL-AVVWSFFYSA-N 2 0 281.444 1.048 10 0 CDAERP C[C@@H](CC[NH2+]C1CCN(C(N)=O)CC1)[NH+]1CCCCC1 ZINC000184338523 323361368 /nfs/dbraw/zinc/36/13/68/323361368.db2.gz IYQPTUQMMGFSEO-ZDUSSCGKSA-N 2 0 282.432 1.384 10 0 CDAERP CC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000578893775 324052251 /nfs/dbraw/zinc/05/22/51/324052251.db2.gz MMKZBCLWRDAIIY-SNVBAGLBSA-N 2 0 251.305 1.147 10 0 CDAERP C[C@H](C[C@H]1COCCN1)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000580062825 324354628 /nfs/dbraw/zinc/35/46/28/324354628.db2.gz RZNMGYANVOREEG-OCCSQVGLSA-N 2 0 274.368 1.191 10 0 CDAERP [NH3+]CC12CCC(CC1)CN2C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000582613674 325010341 /nfs/dbraw/zinc/01/03/41/325010341.db2.gz MZYYRNCASIKNCH-MFOWVQHXSA-N 2 0 277.412 1.106 10 0 CDAERP CC(C)[NH2+]CCCNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000583074192 325100368 /nfs/dbraw/zinc/10/03/68/325100368.db2.gz NRWDSHKGLXMYGH-CQSZACIVSA-N 2 0 280.416 1.030 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000583193258 325124415 /nfs/dbraw/zinc/12/44/15/325124415.db2.gz QDAFHZLIRNSBRF-KFWWJZLASA-N 2 0 296.459 1.548 10 0 CDAERP COC[C@](C)(CCO)[NH2+]Cc1ccc2c(c1)C[NH2+]CC2 ZINC000583385964 325166109 /nfs/dbraw/zinc/16/61/09/325166109.db2.gz BQVPNSAIGKDRHX-INIZCTEOSA-N 2 0 278.396 1.209 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000251055409 1159481937 /nfs/dbraw/zinc/48/19/37/1159481937.db2.gz BJTJPXALMJKUHU-HZSPNIEDSA-N 2 0 267.417 1.495 10 0 CDAERP CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001715981993 1159767854 /nfs/dbraw/zinc/76/78/54/1159767854.db2.gz AHZPKARWOSVUOG-STQMWFEESA-N 2 0 255.406 1.221 10 0 CDAERP CC(C)=CC[NH2+]CC[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001268368669 1159905459 /nfs/dbraw/zinc/90/54/59/1159905459.db2.gz IRRKRPZIZDIRQE-CQSZACIVSA-N 2 0 281.444 1.921 10 0 CDAERP CC(C)[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001482482839 1160322532 /nfs/dbraw/zinc/32/25/32/1160322532.db2.gz NHIZHABBUZODMQ-GJZGRUSLSA-N 2 0 283.460 1.952 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000668475040 482450144 /nfs/dbraw/zinc/45/01/44/482450144.db2.gz IFQOWLQJPPKAFB-BPUTZDHNSA-N 2 0 283.460 1.416 10 0 CDAERP [NH3+]C1(CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000398179309 482246242 /nfs/dbraw/zinc/24/62/42/482246242.db2.gz NMSXHHIPDKJRJX-AWEZNQCLSA-N 2 0 273.380 1.259 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)NC1(C)CC[NH2+]CC1 ZINC000652291667 482459079 /nfs/dbraw/zinc/45/90/79/482459079.db2.gz CJFCHIFLOJICMV-UHFFFAOYSA-N 2 0 290.411 1.347 10 0 CDAERP CC1([NH3+])CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000669514592 482535048 /nfs/dbraw/zinc/53/50/48/482535048.db2.gz RTXKYLVCWRSWGO-XQQFMLRXSA-N 2 0 265.401 1.247 10 0 CDAERP [NH3+]CCN(CCc1ccccc1)C(=O)CC1([NH3+])CCC1 ZINC000669518291 482545949 /nfs/dbraw/zinc/54/59/49/482545949.db2.gz ASRMYCFRFYVLTE-UHFFFAOYSA-N 2 0 275.396 1.288 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000417282843 482578052 /nfs/dbraw/zinc/57/80/52/482578052.db2.gz BMHZEULDJJJOEQ-AVGNSLFASA-N 2 0 270.421 1.014 10 0 CDAERP C[N@H+](CCNC(=O)CC1([NH3+])CCC1)C1CCCCC1 ZINC000237141534 482637605 /nfs/dbraw/zinc/63/76/05/482637605.db2.gz CBJBPBFSJSUTLI-UHFFFAOYSA-N 2 0 267.417 1.639 10 0 CDAERP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000684380041 482781839 /nfs/dbraw/zinc/78/18/39/482781839.db2.gz XUDYLEMCNNETFS-ZMSDIMECSA-N 2 0 295.471 1.702 10 0 CDAERP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000403512166 482796631 /nfs/dbraw/zinc/79/66/31/482796631.db2.gz ITSLODKRUZVCPA-TUVASFSCSA-N 2 0 279.428 1.210 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000228482161 482849192 /nfs/dbraw/zinc/84/91/92/482849192.db2.gz RKMYFJISCCCRCG-AGIUHOORSA-N 2 0 253.390 1.103 10 0 CDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C1([NH3+])CCCC1 ZINC000261552337 482915077 /nfs/dbraw/zinc/91/50/77/482915077.db2.gz RDCCVDCSNFYAGO-CQSZACIVSA-N 2 0 289.423 1.895 10 0 CDAERP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cn3cccc(F)c3n2)C1 ZINC000666963139 483023417 /nfs/dbraw/zinc/02/34/17/483023417.db2.gz XBPNSFJFFYRODD-MNOVXSKESA-N 2 0 262.332 1.690 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089459656 483086042 /nfs/dbraw/zinc/08/60/42/483086042.db2.gz IDBSQDHJKMZFHM-OCCSQVGLSA-N 2 0 267.417 1.352 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CCC(C)(C)[NH3+] ZINC000251902752 483088540 /nfs/dbraw/zinc/08/85/40/483088540.db2.gz WNWGNTFPLPVHDQ-OLZOCXBDSA-N 2 0 267.417 1.589 10 0 CDAERP c1ccc(C[N@@H+]2CC[C@H](N3C[C@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC000090320281 483228560 /nfs/dbraw/zinc/22/85/60/483228560.db2.gz MBWKARUJRMOLOW-BBWFWOEESA-N 2 0 271.408 1.412 10 0 CDAERP Cn1cncc1CCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000314408867 483296745 /nfs/dbraw/zinc/29/67/45/483296745.db2.gz USCVMRSWWAECTI-NNQSOWQGSA-N 2 0 262.401 1.568 10 0 CDAERP [NH3+]CCC[NH2+][C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000415090135 483300092 /nfs/dbraw/zinc/30/00/92/483300092.db2.gz XFWRYJUPZPNRJL-SNVBAGLBSA-N 2 0 255.312 1.482 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)NCc2ccn3ccnc3c2)C1 ZINC000675554556 483330615 /nfs/dbraw/zinc/33/06/15/483330615.db2.gz OGLRYIGHTNPGJU-ZDUSSCGKSA-N 2 0 287.367 1.228 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@]2(C)CCCC[NH2+]2)CC1 ZINC000136205011 483381273 /nfs/dbraw/zinc/38/12/73/483381273.db2.gz SCCGCLNEPOYTMD-HNNXBMFYSA-N 2 0 267.417 1.367 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)C[C@H]([NH3+])C(C)C)CC1 ZINC000136313619 483388992 /nfs/dbraw/zinc/38/89/92/483388992.db2.gz SFZWUPJGNYMFFT-ZDUSSCGKSA-N 2 0 255.406 1.303 10 0 CDAERP CC(C)(C)C[C@H](C[NH3+])N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062978436 518686716 /nfs/dbraw/zinc/68/67/16/518686716.db2.gz RKRCCKJMXACRSB-UONOGXRCSA-N 2 0 253.434 1.920 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001483128789 1160754114 /nfs/dbraw/zinc/75/41/14/1160754114.db2.gz KQJQMWWGWARBJW-MGPQQGTHSA-N 2 0 269.433 1.467 10 0 CDAERP C[C@@H](C[NH2+]Cc1cncs1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001483257712 1160883793 /nfs/dbraw/zinc/88/37/93/1160883793.db2.gz KQBKOAOGFBGODB-AAEUAGOBSA-N 2 0 296.440 1.222 10 0 CDAERP CC[NH2+]CCCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001483512444 1160932952 /nfs/dbraw/zinc/93/29/52/1160932952.db2.gz ZWMCKOQWDSRRTD-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CC[NH2+]CC1(C[N@H+](CCCO)C(C)C)CCOCC1 ZINC000052198086 519912406 /nfs/dbraw/zinc/91/24/06/519912406.db2.gz JJGQDFBVLBUTJU-UHFFFAOYSA-N 2 0 272.433 1.486 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@H](C[N@@H+]2CCOCC2(C)C)O1 ZINC000052546183 519956097 /nfs/dbraw/zinc/95/60/97/519956097.db2.gz UCFFNIBVQRAXFL-QWHCGFSZSA-N 2 0 256.390 1.254 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCF)CC1 ZINC001483738890 1161126049 /nfs/dbraw/zinc/12/60/49/1161126049.db2.gz WWSRDYCFNPRUBW-ZDUSSCGKSA-N 2 0 285.407 1.459 10 0 CDAERP CC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1C[N@H+](C)CCO ZINC000054560058 520218466 /nfs/dbraw/zinc/21/84/66/520218466.db2.gz GZXAPAPYWMTVQZ-KFWWJZLASA-N 2 0 256.434 1.961 10 0 CDAERP CCO[C@@H](C[NH3+])CC[N@H+](CCO)C1CCCCC1 ZINC000062741137 520306509 /nfs/dbraw/zinc/30/65/09/520306509.db2.gz HIABLZXRINDBOC-CQSZACIVSA-N 2 0 258.406 1.367 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)[C@H]2C[C@@H]([NH3+])CC[C@@H]2C)CC1 ZINC000055129394 521556226 /nfs/dbraw/zinc/55/62/26/521556226.db2.gz GVDGRHZYIAJBMA-YDHLFZDLSA-N 2 0 281.444 1.693 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001485943725 1161447045 /nfs/dbraw/zinc/44/70/45/1161447045.db2.gz CVGNXIUXAMPRFB-AWEZNQCLSA-N 2 0 279.428 1.485 10 0 CDAERP CC[NH2+]C[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001714454966 1179146165 /nfs/dbraw/zinc/14/61/65/1179146165.db2.gz VLUCAMVJULEUAL-UONOGXRCSA-N 2 0 269.433 1.469 10 0 CDAERP C[NH2+]C(C)(C)C(=O)NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000061318439 521937398 /nfs/dbraw/zinc/93/73/98/521937398.db2.gz YVKXBZCWIHRIHH-GFCCVEGCSA-N 2 0 255.406 1.221 10 0 CDAERP CC(C)(C)[NH+]1CCN([C@H]2COc3ccccc3[C@@H]2[NH3+])CC1 ZINC000048927595 518712154 /nfs/dbraw/zinc/71/21/54/518712154.db2.gz WEWXYYKXXKQHQG-HOCLYGCPSA-N 2 0 289.423 1.864 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CCCN(CC[NH+]2CCCC2)C1 ZINC000063139587 519723368 /nfs/dbraw/zinc/72/33/68/519723368.db2.gz HWNZWXIUERLBEG-HNNXBMFYSA-N 2 0 253.434 1.792 10 0 CDAERP CC(C)C[NH+]1CCN(c2ccc(C[NH2+]C(C)C)nn2)CC1 ZINC000055082517 519728422 /nfs/dbraw/zinc/72/84/22/519728422.db2.gz GOIUCPCQPIDEMM-UHFFFAOYSA-N 2 0 291.443 1.753 10 0 CDAERP CC(C)[C@@H](CNC(=O)[C@@](C)([NH3+])c1ccccc1)[NH+](C)C ZINC000052882671 519794653 /nfs/dbraw/zinc/79/46/53/519794653.db2.gz GPXPIZZRKVAENU-ZBFHGGJFSA-N 2 0 277.412 1.563 10 0 CDAERP CC(C)[C@@H]1CN(CCC[NH+](C)C)[C@@H](C(C)C)C[NH2+]1 ZINC000062626062 519804317 /nfs/dbraw/zinc/80/43/17/519804317.db2.gz RXMSQPQUMDOQGU-LSDHHAIUSA-N 2 0 255.450 1.893 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)CC1CCC([NH3+])CC1 ZINC000055139165 519813960 /nfs/dbraw/zinc/81/39/60/519813960.db2.gz WGHJEQXUBSAWCT-RUXDESIVSA-N 2 0 269.433 1.596 10 0 CDAERP CC(C)[C@H](CNC(=O)C[C@H]1CCC[NH2+]C1)[NH+](C)C ZINC000054308703 519815397 /nfs/dbraw/zinc/81/53/97/519815397.db2.gz PNRNKTNOWZNEJS-OLZOCXBDSA-N 2 0 255.406 1.079 10 0 CDAERP CCC[NH+]1CCC(C[NH3+])(N2C[C@@H](C)OC[C@@H]2CC)CC1 ZINC000048914299 519842308 /nfs/dbraw/zinc/84/23/08/519842308.db2.gz RAKRZURYEXRZFE-CABCVRRESA-N 2 0 283.460 1.689 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000236771020 519842977 /nfs/dbraw/zinc/84/29/77/519842977.db2.gz ZLZAGPTXEJUQFQ-KGLIPLIRSA-N 2 0 267.417 1.352 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]CCN(C)CCOC)C1 ZINC000061376304 519852213 /nfs/dbraw/zinc/85/22/13/519852213.db2.gz XNCZWMABFSVMNJ-HZPDHXFCSA-N 2 0 285.476 1.665 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000061296934 519905127 /nfs/dbraw/zinc/90/51/27/519905127.db2.gz VGRIVUWVTJJZNL-GFCCVEGCSA-N 2 0 255.406 1.365 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000061298629 519905134 /nfs/dbraw/zinc/90/51/34/519905134.db2.gz ADFIDZPNERRPGZ-ZDUSSCGKSA-N 2 0 269.433 1.611 10 0 CDAERP CC[NH2+]CC1(C[N@@H+]2CCCC[C@H]2CCO)CCOCC1 ZINC000052181050 519912910 /nfs/dbraw/zinc/91/29/10/519912910.db2.gz ZWTPZRQVYCAJSO-HNNXBMFYSA-N 2 0 284.444 1.630 10 0 CDAERP CCC[NH2+]C[C@@H](C(C)C)N1CC[NH+](C2CC2)CC1 ZINC000052371225 519920625 /nfs/dbraw/zinc/92/06/25/519920625.db2.gz CWEYUWXNOPUBPB-HNNXBMFYSA-N 2 0 253.434 1.791 10 0 CDAERP CC[NH2+]C[C@@H](C(C)C)N1CC[NH+](CC2CC2)CC1 ZINC000052372376 519931196 /nfs/dbraw/zinc/93/11/96/519931196.db2.gz HUEZHKSZSOEYTQ-HNNXBMFYSA-N 2 0 253.434 1.648 10 0 CDAERP CC[NH2+]C[C@]1(CN2CC[NH+]([C@H](C)CC)CC2)CCOC1 ZINC000055071768 519983311 /nfs/dbraw/zinc/98/33/11/519983311.db2.gz BWEDTPZQCWUGNT-CVEARBPZSA-N 2 0 283.460 1.419 10 0 CDAERP CC[NH2+]Cc1ccccc1CN1CCC[N@H+](C)CC1 ZINC000052424408 520006923 /nfs/dbraw/zinc/00/69/23/520006923.db2.gz UXSKZUZTFQWLGC-UHFFFAOYSA-N 2 0 261.413 1.934 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000061273680 520065003 /nfs/dbraw/zinc/06/50/03/520065003.db2.gz NWUCYQGUYLONSR-NWDGAFQWSA-N 2 0 283.441 1.855 10 0 CDAERP CC[NH2+][C@@H](C)CCCC[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061643813 520072899 /nfs/dbraw/zinc/07/28/99/520072899.db2.gz FPXQZAFMWZVNFJ-INIZCTEOSA-N 3 0 284.492 1.334 10 0 CDAERP CC[NH2+][C@@H]1COc2cc(OCC[NH+](C)C)ccc21 ZINC000062804907 520124062 /nfs/dbraw/zinc/12/40/62/520124062.db2.gz IMXIVRPMPDDSNP-CYBMUJFWSA-N 2 0 250.342 1.670 10 0 CDAERP CC[NH2+][C@](C)(C[C@H](C)N1CC[C@H]([NH+](CC)CC)C1)C(N)=O ZINC000068645628 520240457 /nfs/dbraw/zinc/24/04/57/520240457.db2.gz XQGZPGORIUNNID-OFQRWUPVSA-N 2 0 298.475 1.035 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@@H]1CCC[C@H](CC[NH3+])C1 ZINC000055145724 520615745 /nfs/dbraw/zinc/61/57/45/520615745.db2.gz WSMNVIMVIOWJOJ-HUUCEWRRSA-N 2 0 283.460 1.990 10 0 CDAERP CC[NH+](CC)CCNC(=O)[C@@H]1[C@@H](C)CCC[C@@H]1[NH3+] ZINC000055123004 520680213 /nfs/dbraw/zinc/68/02/13/520680213.db2.gz AWMHUFRBPCVYSU-RWMBFGLXSA-N 2 0 255.406 1.208 10 0 CDAERP CC[NH+](CC)CCc1ncc2c(n1)CCC[C@@H]2[NH2+]C ZINC000050100704 520713369 /nfs/dbraw/zinc/71/33/69/520713369.db2.gz ZXELCDMLHZGARM-ZDUSSCGKSA-N 2 0 262.401 1.958 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000055090150 520718757 /nfs/dbraw/zinc/71/87/57/520718757.db2.gz OWFHUFYXOMAPGG-AGIUHOORSA-N 2 0 255.406 1.350 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NCCC[NH+]1CCCC1 ZINC000337327076 520852995 /nfs/dbraw/zinc/85/29/95/520852995.db2.gz PTHRZJDUWIVMHS-CQSZACIVSA-N 2 0 284.448 1.502 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(CC[NH2+]CCCOC)C1 ZINC000062974254 520872854 /nfs/dbraw/zinc/87/28/54/520872854.db2.gz DNAUUOISOOFSPR-AWEZNQCLSA-N 2 0 257.422 1.029 10 0 CDAERP CC[N@H+](CCn1cc(C[NH2+]CC(C)C)nn1)[C@H](C)COC ZINC000052504880 521184508 /nfs/dbraw/zinc/18/45/08/521184508.db2.gz FGTDBVXKRWVVPS-CQSZACIVSA-N 2 0 297.447 1.381 10 0 CDAERP CCC(CC)[C@H](CNC(=O)[C@@]1(CC)CC[NH2+]C1)[NH+](C)C ZINC000062900017 521616745 /nfs/dbraw/zinc/61/67/45/521616745.db2.gz UXGHLXNNZOYZQJ-HOCLYGCPSA-N 2 0 283.460 1.859 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)NCC[NH+](C(C)C)C(C)C)C1 ZINC000052498555 521619493 /nfs/dbraw/zinc/61/94/93/521619493.db2.gz OZMUAIYXVORWJI-OAHLLOKOSA-N 2 0 298.475 1.889 10 0 CDAERP CCOCCCC[NH2+]CCN1CC[NH+]([C@H](C)CC)CC1 ZINC000055074916 521703356 /nfs/dbraw/zinc/70/33/56/521703356.db2.gz XYWKDEPQXXMVSG-MRXNPFEDSA-N 2 0 285.476 1.809 10 0 CDAERP CCOCCCC[NH2+]CCN1CC[C@@H]([NH+](CC)CC)C1 ZINC000062974333 521703578 /nfs/dbraw/zinc/70/35/78/521703578.db2.gz JSZKJHRHPZHCSJ-MRXNPFEDSA-N 2 0 285.476 1.809 10 0 CDAERP C[NH+](C)CCN1CC[NH+](Cc2ccc3c(c2)CCN3)CC1 ZINC000061652502 521765379 /nfs/dbraw/zinc/76/53/79/521765379.db2.gz MKHFLXRQSRTQMB-UHFFFAOYSA-N 2 0 288.439 1.334 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)c1c[nH+]c(NN)c(Cl)c1 ZINC000061656116 521834811 /nfs/dbraw/zinc/83/48/11/521834811.db2.gz MQJAVSFQBHIRKU-JTQLQIEISA-N 2 0 297.790 1.187 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1Cc1cccc(C(N)=[NH2+])c1 ZINC000061644695 521840621 /nfs/dbraw/zinc/84/06/21/521840621.db2.gz RNZMVYGNGFCINA-AWEZNQCLSA-N 2 0 260.385 1.497 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1c1ccnc(C[NH2+]C2CC2)c1 ZINC000061654177 521845343 /nfs/dbraw/zinc/84/53/43/521845343.db2.gz LATSGSXSEAJGBS-INIZCTEOSA-N 2 0 274.412 1.864 10 0 CDAERP C[NH2+]C(C)(C)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000061319447 521945527 /nfs/dbraw/zinc/94/55/27/521945527.db2.gz PHYRLVLITMHSBA-UHFFFAOYSA-N 2 0 261.413 1.802 10 0 CDAERP C[NH2+]C[C@H]1CC[C@H](C[N@H+](C)Cc2ccsc2)O1 ZINC000052457370 522097106 /nfs/dbraw/zinc/09/71/06/522097106.db2.gz NVRABTRWSSSEGM-CHWSQXEVSA-N 2 0 254.399 1.947 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)CC[NH2+]C(C)C)CC1 ZINC000055078394 522110448 /nfs/dbraw/zinc/11/04/48/522110448.db2.gz FGRGNXIXSZRWCS-CYBMUJFWSA-N 2 0 255.406 1.317 10 0 CDAERP CC[C@H](CC[NH3+])[N@@H+]1CCCN(CCC[NH+]2CCCC2)CC1 ZINC000049332142 522127669 /nfs/dbraw/zinc/12/76/69/522127669.db2.gz SSEXYUMLSFTXDC-QGZVFWFLSA-N 3 0 296.503 1.607 10 0 CDAERP CC[C@@H](C)[NH+]1CCN([C@H](c2ccccn2)[C@@H](C)[NH3+])CC1 ZINC000055063866 522131314 /nfs/dbraw/zinc/13/13/14/522131314.db2.gz JZIBJICXQGCRDL-FMKPAKJESA-N 2 0 276.428 1.886 10 0 CDAERP CC[C@@H](C)[NH+]1CCN([C@H](C[NH3+])c2ccccn2)CC1 ZINC000055063680 522131527 /nfs/dbraw/zinc/13/15/27/522131527.db2.gz MSJDPBDCZSEPJF-UKRRQHHQSA-N 2 0 262.401 1.498 10 0 CDAERP COC[C@@H](C)[N@H+](C)Cc1occc1C[NH2+]C1CC1 ZINC000052511450 522218329 /nfs/dbraw/zinc/21/83/29/522218329.db2.gz CIFYOQVFXHSNQI-LLVKDONJSA-N 2 0 252.358 1.998 10 0 CDAERP COC[C@@H](C)[N@H+](C)Cc1ccoc1C[NH2+]C1CC1 ZINC000052511575 522218371 /nfs/dbraw/zinc/21/83/71/522218371.db2.gz YFUUBNREMMJHMH-LLVKDONJSA-N 2 0 252.358 1.998 10 0 CDAERP C[NH2+][C@@H]1CCCC[C@H]1CN(C)CC[NH+]1CCCC1 ZINC000063053728 522377092 /nfs/dbraw/zinc/37/70/92/522377092.db2.gz BLXQDGCEWKMJOT-LSDHHAIUSA-N 2 0 253.434 1.792 10 0 CDAERP COC1CC[NH+](C[C@@H]2CC[C@H](C[NH2+]C3CC3)O2)CC1 ZINC000052455429 522705995 /nfs/dbraw/zinc/70/59/95/522705995.db2.gz MTHOZIBYGUHJMY-CABCVRRESA-N 2 0 268.401 1.397 10 0 CDAERP COCCCNC(=O)C[N@H+](CCC[NH3+])C1CCCCC1 ZINC000049282688 523320415 /nfs/dbraw/zinc/32/04/15/523320415.db2.gz QEKKYWIJJDBINQ-UHFFFAOYSA-N 2 0 285.432 1.123 10 0 CDAERP COCC[N@H+](CCCC[NH2+]C1CC1)[C@H](C)COC ZINC000052572255 523693101 /nfs/dbraw/zinc/69/31/01/523693101.db2.gz LVOHPSVNGZXUIE-CYBMUJFWSA-N 2 0 258.406 1.502 10 0 CDAERP COCC[N@H+](Cc1cccnc1C(N)=[NH2+])[C@@H](C)C1CC1 ZINC000061658292 523763647 /nfs/dbraw/zinc/76/36/47/523763647.db2.gz PMZRJYSYVPYZCH-NSHDSACASA-N 2 0 276.384 1.613 10 0 CDAERP C[N@@H+]1CCCN([C@@H](C[NH3+])c2cccc3cccnc32)CC1 ZINC000069502288 523810266 /nfs/dbraw/zinc/81/02/66/523810266.db2.gz YNLFHKISJMHFNG-INIZCTEOSA-N 2 0 284.407 1.872 10 0 CDAERP CC[C@H](C)[NH+]1CCN(CCCC[C@@](C)([NH2+]C)C(N)=O)CC1 ZINC000055071102 523953549 /nfs/dbraw/zinc/95/35/49/523953549.db2.gz KEXGBSMQKUEJHY-GOEBONIOSA-N 2 0 298.475 1.036 10 0 CDAERP C[NH+](C)CC1CCN([C@]2(C[NH3+])CCCSC2)CC1 ZINC000061590213 524050158 /nfs/dbraw/zinc/05/01/58/524050158.db2.gz BVLOXJBCNBCOAF-AWEZNQCLSA-N 2 0 271.474 1.485 10 0 CDAERP C[C@@H]1CCC[C@H]([N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)[C@@H]1C ZINC000068632518 524391567 /nfs/dbraw/zinc/39/15/67/524391567.db2.gz SJVOQGGCYWOGDV-KBXIAJHMSA-N 2 0 281.444 1.598 10 0 CDAERP C[C@@H]1CC[C@@H](C(=O)N2CCC(C[NH+](C)C)CC2)C[C@@H]1[NH3+] ZINC000055134890 524554856 /nfs/dbraw/zinc/55/48/56/524554856.db2.gz CMLCFBJNBVBGEI-YUELXQCFSA-N 2 0 281.444 1.550 10 0 CDAERP C[C@@H](C[NH+]1CCCC1)N1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602496 524589460 /nfs/dbraw/zinc/58/94/60/524589460.db2.gz LCDINUCREWZXNP-AVOUXACISA-N 2 0 251.418 1.815 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)C[C@@H]1CCCC[NH2+]1 ZINC000049502510 524603354 /nfs/dbraw/zinc/60/33/54/524603354.db2.gz JTWGIASLLMICHJ-KBPBESRZSA-N 2 0 267.417 1.509 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N(C)C2CC[NH+](C)CC2)CC[C@@H]1[NH3+] ZINC000055123253 524764366 /nfs/dbraw/zinc/76/43/66/524764366.db2.gz FEDZHIWVORDYNI-OBJOEFQTSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@]([NH3+])(CN[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000052883623 525150668 /nfs/dbraw/zinc/15/06/68/525150668.db2.gz FRZPEXUWDDFMAS-ZBFHGGJFSA-N 2 0 259.397 1.687 10 0 CDAERP C[C@@H]1[C@@H](C)CCC[C@]1(C[NH3+])N1CCN(CC[NH+](C)C)CC1 ZINC000068629366 525648916 /nfs/dbraw/zinc/64/89/16/525648916.db2.gz YNANAZPCHVFACP-GVDBMIGSSA-N 2 0 296.503 1.319 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)c1coc(C[NH3+])c1 ZINC000188074241 526250717 /nfs/dbraw/zinc/25/07/17/526250717.db2.gz ZQFNGQYPFYMOAZ-NSHDSACASA-N 2 0 265.357 1.343 10 0 CDAERP NC(=[NH2+])C[C@H](c1ccccc1)[N@@H+]1CCCC[C@@H]1CO ZINC000055023114 526817631 /nfs/dbraw/zinc/81/76/31/526817631.db2.gz JCFVXBYBBWPKPY-ZIAGYGMSSA-N 2 0 261.369 1.901 10 0 CDAERP NC(=[NH2+])c1ccc(N2CCC(C[NH+]3CCCC3)CC2)nc1 ZINC000062031878 526823463 /nfs/dbraw/zinc/82/34/63/526823463.db2.gz UQFDVDBORWGOJZ-UHFFFAOYSA-N 2 0 287.411 1.678 10 0 CDAERP [NH3+]Cc1cc(CN2CC[NH+](C3CCCC3)CC2)ccn1 ZINC000068750450 527247920 /nfs/dbraw/zinc/24/79/20/527247920.db2.gz UJGOPQACZYYXRI-UHFFFAOYSA-N 2 0 274.412 1.601 10 0 CDAERP CC1CC[NH+](CCCNC(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000416869373 535279982 /nfs/dbraw/zinc/27/99/82/535279982.db2.gz GZQMPWDMGGXXLS-CABCVRRESA-N 2 0 296.459 1.406 10 0 CDAERP CC[NH+](CC)[C@@H](CNC(=O)C1C[NH2+]C1)Cc1ccccc1 ZINC000263302428 535652452 /nfs/dbraw/zinc/65/24/52/535652452.db2.gz NRPIXVQTQYPSLF-MRXNPFEDSA-N 2 0 289.423 1.275 10 0 CDAERP C[NH+](C)CCOc1ccc(CCNC2=[NH+]CCCN2)cc1 ZINC000262408385 535903636 /nfs/dbraw/zinc/90/36/36/535903636.db2.gz QJNHSHPPJNRIHS-UHFFFAOYSA-N 2 0 290.411 1.108 10 0 CDAERP C[NH+](C)C[C@H]1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000431822764 535960972 /nfs/dbraw/zinc/96/09/72/535960972.db2.gz OQUYWCSBTXRMDE-HUUCEWRRSA-N 2 0 281.444 1.661 10 0 CDAERP C[NH2+]CCc1ccccc1C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000422545874 536446583 /nfs/dbraw/zinc/44/65/83/536446583.db2.gz XWEHWHAPCIYAIW-KRWDZBQOSA-N 2 0 297.402 1.878 10 0 CDAERP COc1cc(C)nc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000252858137 536691460 /nfs/dbraw/zinc/69/14/60/536691460.db2.gz LSAAIROLWYIYFT-VBNZEHGJSA-N 2 0 275.396 1.958 10 0 CDAERP CC(C)CN(C(=O)C[C@H]1CC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000648151347 538350446 /nfs/dbraw/zinc/35/04/46/538350446.db2.gz WRJQYSIZZQKSGU-CQSZACIVSA-N 2 0 281.444 1.565 10 0 CDAERP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C1([NH2+]C3CC3)CCC1)C2 ZINC000662829037 538355677 /nfs/dbraw/zinc/35/56/77/538355677.db2.gz PDWQUXRUZSWNTM-WFASDCNBSA-N 2 0 277.412 1.249 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@@H]2C[C@@H]21)c1ccccc1 ZINC000771764724 575609272 /nfs/dbraw/zinc/60/92/72/575609272.db2.gz IWCIISHYHYMSQY-OWCLPIDISA-N 2 0 287.407 1.500 10 0 CDAERP CCOCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001690035140 1175352127 /nfs/dbraw/zinc/35/21/27/1175352127.db2.gz FHUSGQGPKVHNFQ-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000806926274 617394849 /nfs/dbraw/zinc/39/48/49/617394849.db2.gz XJSWCCKLHJNKMN-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CC[NH+]1CCC(CC[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000925519967 617431288 /nfs/dbraw/zinc/43/12/88/617431288.db2.gz WBPSYSSFDNJISO-CABCVRRESA-N 2 0 265.445 1.968 10 0 CDAERP C[NH+]1CCC(OCC(=O)OCCC[NH+]2CCCCC2)CC1 ZINC000923788089 617517429 /nfs/dbraw/zinc/51/74/29/617517429.db2.gz HKWIQSIGILGULD-UHFFFAOYSA-N 2 0 298.427 1.516 10 0 CDAERP CC[C@@H](C[C@](C)(O)CC)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000924577996 617532232 /nfs/dbraw/zinc/53/22/32/617532232.db2.gz KNNGKHPIJQKQLS-JKSUJKDBSA-N 2 0 285.476 1.543 10 0 CDAERP CC[C@](C)(O)C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925608556 617553095 /nfs/dbraw/zinc/55/30/95/617553095.db2.gz FCXMAYUVVVGVHK-KFWWJZLASA-N 2 0 254.418 1.905 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2N[C@H]1C[NH2+]CCC1(F)F ZINC000925710944 617805136 /nfs/dbraw/zinc/80/51/36/617805136.db2.gz QTEIZSLOUGNIBX-UXGOBAPMSA-N 2 0 259.344 1.089 10 0 CDAERP [NH3+][C@H]1C[C@H](NC2CC([NH+]3CCCCC3)C2)C12CCC2 ZINC000925663387 617609589 /nfs/dbraw/zinc/60/95/89/617609589.db2.gz RNULKRHUFHHLAR-WUCCLRPBSA-N 2 0 263.429 1.863 10 0 CDAERP C[N@@H+]1CCC[C@H]1CC[NH+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000933754020 617612325 /nfs/dbraw/zinc/61/23/25/617612325.db2.gz XTSREIWNHLQLRU-YDHLFZDLSA-N 2 0 265.401 1.058 10 0 CDAERP COC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)[C@H]1CCCOC1 ZINC000925777514 617675141 /nfs/dbraw/zinc/67/51/41/617675141.db2.gz FECXNJXOKUOERK-YJNKXOJESA-N 2 0 284.444 1.924 10 0 CDAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925799611 617730527 /nfs/dbraw/zinc/73/05/27/617730527.db2.gz ZSRLLBIXJVLIBF-MBNYWOFBSA-N 3 0 276.428 1.745 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]CC2(C3(O)CCOCC3)CC2)C12CCC2 ZINC000925826096 617815197 /nfs/dbraw/zinc/81/51/97/617815197.db2.gz JPNMHONOOOKXHX-OLZOCXBDSA-N 2 0 280.412 1.168 10 0 CDAERP C[C@H](C[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1)C[NH+](C)C ZINC000926472566 617860487 /nfs/dbraw/zinc/86/04/87/617860487.db2.gz KLTZRGXDMQRFCP-YUELXQCFSA-N 2 0 254.418 1.979 10 0 CDAERP COC(=O)C1=CC[C@@H]([NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000925723408 617881894 /nfs/dbraw/zinc/88/18/94/617881894.db2.gz QSQARVVZBYGXHI-YIYPIFLZSA-N 2 0 278.396 1.614 10 0 CDAERP CC1(C)CCC[C@@H]1[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925855104 617893557 /nfs/dbraw/zinc/89/35/57/617893557.db2.gz OHOLSFJCKDFAOL-STQMWFEESA-N 2 0 280.412 1.840 10 0 CDAERP CC1(C)[C@H]([NH2+]CCO[C@@H]2CCOC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925875355 617943488 /nfs/dbraw/zinc/94/34/88/617943488.db2.gz RMVXPIXLIQSMIX-YIYPIFLZSA-N 2 0 268.401 1.158 10 0 CDAERP [NH3+][C@H](CCN[C@@H]1CC[NH2+]C12CCC2)Cc1ccccc1 ZINC000925726572 617965713 /nfs/dbraw/zinc/96/57/13/617965713.db2.gz UDJTZNLSXCWMJG-HZPDHXFCSA-N 2 0 273.424 1.821 10 0 CDAERP C[C@@H]1CCNC[C@H]1[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925883190 617970034 /nfs/dbraw/zinc/97/00/34/617970034.db2.gz XWGFHWLTOQARKN-DZUCGIPZSA-N 2 0 273.424 1.633 10 0 CDAERP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccnn1C ZINC000925729083 617998377 /nfs/dbraw/zinc/99/83/77/617998377.db2.gz OWKACEYLFDDMKV-TUAOUCFPSA-N 2 0 250.390 1.977 10 0 CDAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCC2(OC)OC)CC1 ZINC000924948375 618368502 /nfs/dbraw/zinc/36/85/02/618368502.db2.gz CPRUQWBDYBJDHN-HUUCEWRRSA-N 2 0 299.459 1.001 10 0 CDAERP C[C@@H](C[NH2+]C1CC2(C1)CO[C@@H](C)C2)N1CC[NH+](C)CC1 ZINC000924963953 618458048 /nfs/dbraw/zinc/45/80/48/618458048.db2.gz HVRAVYVDYBALFK-FXQLRMTLSA-N 2 0 281.444 1.170 10 0 CDAERP C[C@@H]1OC[C@H]([NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)[C@@H]1C ZINC000925042084 618826500 /nfs/dbraw/zinc/82/65/00/618826500.db2.gz RRXJRUWHGFNHCT-CTASWTNQSA-N 2 0 281.444 1.168 10 0 CDAERP COC(=O)[C@@H]1[C@H](C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)C1(F)F ZINC000894767390 619052334 /nfs/dbraw/zinc/05/23/34/619052334.db2.gz XFKYKCXFVBBSBF-SRVKXCTJSA-N 2 0 290.354 1.361 10 0 CDAERP COC(=O)[C@H]1[C@@H](C[NH2+]CCCC[N@H+](C)C2CC2)C1(F)F ZINC000894965703 619164867 /nfs/dbraw/zinc/16/48/67/619164867.db2.gz GJCBVDXWQNLHFI-VXGBXAGGSA-N 2 0 290.354 1.505 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)[C@@H]2CCC[C@@H]21 ZINC000926942766 621622914 /nfs/dbraw/zinc/62/29/14/621622914.db2.gz GITDOUOQCIEDTG-NMHRLERGSA-N 2 0 280.412 1.253 10 0 CDAERP CCO[C@H](CN[C@H]1CC[N@H+](C)[C@H](C)C1)C[NH+](C)C ZINC000926959406 621631204 /nfs/dbraw/zinc/63/12/04/621631204.db2.gz BSDIZDFQLLIBJV-HZSPNIEDSA-N 2 0 257.422 1.025 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+][C@@H]2CO[C@H](C)[C@H]2C)CC1 ZINC000924655199 621636684 /nfs/dbraw/zinc/63/66/84/621636684.db2.gz PIAGXMZRJWPDMF-RBSFLKMASA-N 2 0 269.433 1.027 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](NC(=O)CCCn2ccnc2)C12CCC2 ZINC000898838313 621887628 /nfs/dbraw/zinc/88/76/28/621887628.db2.gz FAORVTJWDPRWBK-KGLIPLIRSA-N 2 0 290.411 1.652 10 0 CDAERP C[NH+](C)CCCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000900689358 623374868 /nfs/dbraw/zinc/37/48/68/623374868.db2.gz JQCSGBGWZUYLKF-UONOGXRCSA-N 2 0 267.417 1.461 10 0 CDAERP C[NH+](C)CCCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900689359 623375620 /nfs/dbraw/zinc/37/56/20/623375620.db2.gz JQCSGBGWZUYLKF-ZIAGYGMSSA-N 2 0 267.417 1.461 10 0 CDAERP C([NH2+][C@@H]1CCO[C@@]12CCOC2)[C@H]1CCN1C1CCCCC1 ZINC000903205373 625897845 /nfs/dbraw/zinc/89/78/45/625897845.db2.gz HQQMUZFXGQHPLC-BRWVUGGUSA-N 2 0 294.439 1.931 10 0 CDAERP CC(C)[NH+]1CCC([NH2+]CC2(C3(O)CCOCC3)CC2)CC1 ZINC000903353742 625976799 /nfs/dbraw/zinc/97/67/99/625976799.db2.gz NXMJACSQBHQYCR-UHFFFAOYSA-N 2 0 296.455 1.771 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000903458636 625994599 /nfs/dbraw/zinc/99/45/99/625994599.db2.gz FXZMZUDGHGGSHJ-SLBVQIDZSA-N 3 0 281.444 1.060 10 0 CDAERP Cc1cccc([C@@H]2C(=O)NCC[N@H+]2C[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000903464352 625996850 /nfs/dbraw/zinc/99/68/50/625996850.db2.gz KFJKEKDFIHLFNB-VNQPRFMTSA-N 2 0 287.407 1.595 10 0 CDAERP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903443640 625997486 /nfs/dbraw/zinc/99/74/86/625997486.db2.gz GJDUOBPQPBPIIS-ILXRZTDVSA-N 3 0 253.434 1.778 10 0 CDAERP COC(=O)CC[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903478729 626005663 /nfs/dbraw/zinc/00/56/63/626005663.db2.gz MVUQSGQRDUQOLD-MCIONIFRSA-N 2 0 268.401 1.507 10 0 CDAERP C(C[NH2+][C@@H]1CC[NH2+]C12CCCC2)COC[C@H]1CCCO1 ZINC000903483514 626007227 /nfs/dbraw/zinc/00/72/27/626007227.db2.gz IIKXLOZALTZJHL-HUUCEWRRSA-N 2 0 282.428 1.836 10 0 CDAERP C[C@@H]1C[N@H+](Cc2ccc3oc(=O)n(C)c3c2)C[C@H]1CC[NH3+] ZINC000903498475 626008804 /nfs/dbraw/zinc/00/88/04/626008804.db2.gz HALNNHWESUXIMP-DGCLKSJQSA-N 2 0 289.379 1.548 10 0 CDAERP FC1(F)C[C@@]2(CC[N@H+](C[C@H]3CC[NH2+]C3)C2)C1(F)F ZINC000903490660 626010575 /nfs/dbraw/zinc/01/05/75/626010575.db2.gz BYZPBPCZOJYQRM-VHSXEESVSA-N 2 0 266.282 1.962 10 0 CDAERP C([C@@H]1C[C@@H]2COC[C@H]2O1)[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903784077 626092960 /nfs/dbraw/zinc/09/29/60/626092960.db2.gz KRKFYHWNYQXQST-QKPAOTATSA-N 2 0 280.412 1.256 10 0 CDAERP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CCCSC[C@@H]1C1CC1 ZINC000903827727 626105462 /nfs/dbraw/zinc/10/54/62/626105462.db2.gz VMXKLKCHAZMNHN-UONOGXRCSA-N 2 0 282.453 1.725 10 0 CDAERP CCCC[N@H+](CC)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903872477 626126880 /nfs/dbraw/zinc/12/68/80/626126880.db2.gz DVWAWTILNOALML-AWEZNQCLSA-N 2 0 266.433 1.968 10 0 CDAERP C[N@@H+](CC(=O)NC(C)(C)C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903876766 626129680 /nfs/dbraw/zinc/12/96/80/626129680.db2.gz IEUFYSUPPGPGLE-YHWZYXNKSA-N 2 0 267.417 1.364 10 0 CDAERP COCCO[C@@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903914996 626134008 /nfs/dbraw/zinc/13/40/08/626134008.db2.gz WNJJFTUPOXDFLR-JALIKCBVSA-N 2 0 268.401 1.254 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@H+]2CC[C@@H](C)[C@H]2C)cnn1C ZINC000903899776 626138215 /nfs/dbraw/zinc/13/82/15/626138215.db2.gz USPQLLUMKOPCHF-YRGRVCCFSA-N 2 0 264.417 1.576 10 0 CDAERP [NH3+][C@@H](CC(F)F)CN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000903905675 626140706 /nfs/dbraw/zinc/14/07/06/626140706.db2.gz LJWMKDJDERRQSE-NWDGAFQWSA-N 2 0 270.327 1.010 10 0 CDAERP CC[C@@]1(C)CC[N@H+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903908933 626142840 /nfs/dbraw/zinc/14/28/40/626142840.db2.gz BGAKVACTGXUDPB-ZBFHGGJFSA-N 2 0 278.444 1.968 10 0 CDAERP C[C@@H]1CSCC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903912501 626144552 /nfs/dbraw/zinc/14/45/52/626144552.db2.gz FWTOPIJTQPWZPM-QWHCGFSZSA-N 2 0 295.456 1.388 10 0 CDAERP [NH3+][C@H](CC(F)F)CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000903920606 626147253 /nfs/dbraw/zinc/14/72/53/626147253.db2.gz WLIRHAJVNLUAAR-IJLUTSLNSA-N 2 0 261.360 1.433 10 0 CDAERP Cc1cccc(CC[NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)c1 ZINC000903924311 626148403 /nfs/dbraw/zinc/14/84/03/626148403.db2.gz CBQLWCUNQGGVKW-INIZCTEOSA-N 2 0 299.422 1.843 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[NH2+]C[C@]2(C)CCCO2)cnn1C ZINC000903924844 626148752 /nfs/dbraw/zinc/14/87/52/626148752.db2.gz IMCLAZPGMQOKEK-ZFWWWQNUSA-N 2 0 280.416 1.005 10 0 CDAERP CC(C)OCC(C)(C)[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903929171 626150002 /nfs/dbraw/zinc/15/00/02/626150002.db2.gz BHNMYDCAWAYIKQ-ZDUSSCGKSA-N 2 0 295.431 1.496 10 0 CDAERP COCC[N@H+](C[C@H]([NH3+])CC(F)F)CC1CC[NH+](C)CC1 ZINC000903934456 626153293 /nfs/dbraw/zinc/15/32/93/626153293.db2.gz HUFFDGCXYXSWAY-CYBMUJFWSA-N 2 0 293.402 1.259 10 0 CDAERP C[C@H](CC1CCC1)[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903937934 626155708 /nfs/dbraw/zinc/15/57/08/626155708.db2.gz VROLXEKKOKHNTQ-OCCSQVGLSA-N 2 0 277.416 1.871 10 0 CDAERP O=C1OCC[C@]12CCC[N@@H+]2CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903915986 626156575 /nfs/dbraw/zinc/15/65/75/626156575.db2.gz QCSBGNUWQURBRY-VYHDIPPYSA-N 2 0 264.369 1.299 10 0 CDAERP FC1(F)CC[NH2+]C[C@H]1CNCc1ccc2c(c1)C[NH2+]CC2 ZINC000903955718 626166905 /nfs/dbraw/zinc/16/69/05/626166905.db2.gz ARGGSOOAJXWHBH-HNNXBMFYSA-N 2 0 295.377 1.667 10 0 CDAERP COCC(C)(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903980328 626170774 /nfs/dbraw/zinc/17/07/74/626170774.db2.gz PAHDPSLWLJQYCB-IYBDPMFKSA-N 2 0 295.471 1.560 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cn(C)nc1-c1cccnc1 ZINC000903964807 626171606 /nfs/dbraw/zinc/17/16/06/626171606.db2.gz RKLAWTICNWYOPM-OCCSQVGLSA-N 2 0 285.395 1.427 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]([NH+]3CCC3)C2)C1 ZINC000912900612 630268820 /nfs/dbraw/zinc/26/88/20/630268820.db2.gz OPQHCZIPJILJIY-GJZGRUSLSA-N 2 0 279.428 1.415 10 0 CDAERP C[C@@H]1[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[N@@H+]1C ZINC000913838299 630826450 /nfs/dbraw/zinc/82/64/50/630826450.db2.gz HVFXPYUEBDILDB-DGCLKSJQSA-N 2 0 296.459 1.687 10 0 CDAERP C[C@H]1[C@H](NC(=O)NCCC[NH+]2CCC(C)CC2)CC[N@@H+]1C ZINC000913936992 630903686 /nfs/dbraw/zinc/90/36/86/630903686.db2.gz FRIVQYNCXJQKBO-LSDHHAIUSA-N 2 0 296.459 1.500 10 0 CDAERP C[C@H]1[C@@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)CC[N@@H+]1C ZINC000914247590 631287489 /nfs/dbraw/zinc/28/74/89/631287489.db2.gz IQVJJJPFFHKVKX-WFASDCNBSA-N 2 0 294.443 1.253 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H]1CC[NH+](C)[C@H]1C ZINC000914341900 631355499 /nfs/dbraw/zinc/35/54/99/631355499.db2.gz UMDZFBKQGYJQJX-CBBWQLFWSA-N 2 0 296.459 1.499 10 0 CDAERP C1CC1[C@H]1COC[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000914435911 631470371 /nfs/dbraw/zinc/47/03/71/631470371.db2.gz MGJTXAGYXOOCGZ-KBUPBQIOSA-N 2 0 250.386 1.628 10 0 CDAERP C[C@@H]1[C@H](NC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC[N@@H+]1C ZINC000921330753 632930739 /nfs/dbraw/zinc/93/07/39/632930739.db2.gz PFMAYSLSCMUTSM-ZOBORPQBSA-N 2 0 282.432 1.251 10 0 CDAERP CCCN(CC[NH+]1CCCC1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000925345301 633177348 /nfs/dbraw/zinc/17/73/48/633177348.db2.gz VAEUEYNZTLYNOS-CABCVRRESA-N 2 0 296.459 1.596 10 0 CDAERP CC1(C)[C@@H]([NH2+]CCCn2ccnc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925490951 678990573 /nfs/dbraw/zinc/99/05/73/678990573.db2.gz BPJVGSPDESIVIH-RDBSUJKOSA-N 2 0 262.401 1.639 10 0 CDAERP O[C@H](C[NH2+]CC[C@@H]1C[C@H]1C1CC1)C[NH+]1CCCC1 ZINC000712693337 679573149 /nfs/dbraw/zinc/57/31/49/679573149.db2.gz KTDAURHHKCYKIC-KFWWJZLASA-N 2 0 252.402 1.469 10 0 CDAERP CC1(C)C[C@H](O)C[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000866702758 677702316 /nfs/dbraw/zinc/70/23/16/677702316.db2.gz GHILXMZOAVGJOH-HNNXBMFYSA-N 2 0 274.408 1.925 10 0 CDAERP Cn1cc(C[NH2+]CCOCC[NH+](C)C)c(C2CCCC2)n1 ZINC000922009673 677752188 /nfs/dbraw/zinc/75/21/88/677752188.db2.gz UKDWPBQYPJDHGK-UHFFFAOYSA-N 2 0 294.443 1.746 10 0 CDAERP CCO[C@@H]1CN(Cc2ccc3c(c2)COC3)C[C@H]1C[NH3+] ZINC000844906989 677791887 /nfs/dbraw/zinc/79/18/87/677791887.db2.gz XRAYDTPLEGSLBO-HZPDHXFCSA-N 2 0 276.380 1.512 10 0 CDAERP CC(C)C[C@H]([NH2+][C@@H]1CO[C@H](C)[C@@H]1C)C(=O)NCC[NH+](C)C ZINC000925952559 677800710 /nfs/dbraw/zinc/80/07/10/677800710.db2.gz JWEQQRCLXZVMHB-LJISPDSOSA-N 2 0 299.459 1.092 10 0 CDAERP CC1(C)CC[C@H](C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)OC1 ZINC000713595589 677817073 /nfs/dbraw/zinc/81/70/73/677817073.db2.gz IEDVVGCXRNMDHA-HUUCEWRRSA-N 2 0 281.444 1.171 10 0 CDAERP COC/C(C)=C/CN1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000931310833 677896248 /nfs/dbraw/zinc/89/62/48/677896248.db2.gz ASEXSWIGBOLQFV-DDYURTPESA-N 2 0 252.402 1.853 10 0 CDAERP C[N@H+](CCCCCC[NH3+])C[C@H]1CCc2ncnn21 ZINC000872157439 677897174 /nfs/dbraw/zinc/89/71/74/677897174.db2.gz ONYKBSHJDRKSGF-GFCCVEGCSA-N 2 0 251.378 1.216 10 0 CDAERP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)C(C)(C)CO ZINC000926355934 677958960 /nfs/dbraw/zinc/95/89/60/677958960.db2.gz CFHIYCOWEGEWJZ-CYBMUJFWSA-N 2 0 271.449 1.009 10 0 CDAERP Oc1ccc2c(c1)CC[N@@H+](CCC[NH2+]C1CC1)CC2 ZINC000923309221 677961207 /nfs/dbraw/zinc/96/12/07/677961207.db2.gz NNTJOQVQJMLRKH-UHFFFAOYSA-N 2 0 260.381 1.935 10 0 CDAERP CCO[C@@H]1C[C@@H](O)C12CC[NH+](CCC[NH2+]C1CC1)CC2 ZINC000923314607 677961979 /nfs/dbraw/zinc/96/19/79/677961979.db2.gz WPIRGEPOSNAJRH-HUUCEWRRSA-N 2 0 282.428 1.380 10 0 CDAERP [NH3+][C@H]1C[C@@H]([NH2+]CCC(=O)NC2CCCCC2)C12CCC2 ZINC000925486311 677988188 /nfs/dbraw/zinc/98/81/88/677988188.db2.gz QNTABSOWXGYCEQ-UONOGXRCSA-N 2 0 279.428 1.685 10 0 CDAERP CCC[NH+]1CCC(CNC(=[NH2+])N2CCO[C@H](C)C2)CC1 ZINC000848996106 677996643 /nfs/dbraw/zinc/99/66/43/677996643.db2.gz GQGLUQWBNICQEZ-CYBMUJFWSA-N 2 0 282.432 1.353 10 0 CDAERP C[C@H]1C[C@H](C[N@@H+]2CCN(C)C(C)(C)CC2)CC[NH2+]1 ZINC000712648545 678005750 /nfs/dbraw/zinc/00/57/50/678005750.db2.gz NTDCNLHMWVELRN-UONOGXRCSA-N 2 0 253.434 1.791 10 0 CDAERP COc1ccccc1[C@H](O)C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925494624 678023610 /nfs/dbraw/zinc/02/36/10/678023610.db2.gz ORAQYWNIWOJGGV-BPLDGKMQSA-N 2 0 276.380 1.588 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+][C@H](C)c1ccnnc1 ZINC000926151318 678039939 /nfs/dbraw/zinc/03/99/39/678039939.db2.gz TUJYBUPBLXGMPB-CYBMUJFWSA-N 2 0 266.389 1.486 10 0 CDAERP CC[N@H+](CC(=O)N[C@@H]1CCCN2CCSC[C@@H]12)C1CC1 ZINC000928105340 678059395 /nfs/dbraw/zinc/05/93/95/678059395.db2.gz RYNMZWMOUCRKCD-KGLIPLIRSA-N 2 0 297.468 1.167 10 0 CDAERP C[C@@H](CCCCO)[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925679845 678084032 /nfs/dbraw/zinc/08/40/32/678084032.db2.gz MTQPGFZTFJXLDK-RFQIPJPRSA-N 2 0 254.418 1.904 10 0 CDAERP C[C@H](C[NH2+][C@H]1CCOC12CCOCC2)C[NH+](C)C ZINC000926475189 678094271 /nfs/dbraw/zinc/09/42/71/678094271.db2.gz SKVWCTUPPONDRZ-OLZOCXBDSA-N 2 0 256.390 1.112 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCC2OCCO2)[C@@H](C)C1 ZINC000248630503 678106816 /nfs/dbraw/zinc/10/68/16/678106816.db2.gz RTQWPJVEBHMGAO-QWHCGFSZSA-N 2 0 256.390 1.412 10 0 CDAERP CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925811230 678148939 /nfs/dbraw/zinc/14/89/39/678148939.db2.gz ZDDQLTOEGBWRQY-CABCVRRESA-N 2 0 291.439 1.605 10 0 CDAERP CCOCC[C@@H](O)C[N@H+](C)C1(C[NH3+])CCCCC1 ZINC000923421017 678118527 /nfs/dbraw/zinc/11/85/27/678118527.db2.gz DHTIJCMPHUSSOD-CYBMUJFWSA-N 2 0 258.406 1.367 10 0 CDAERP C[C@@H]1C[N@H+](Cc2cc(=O)n3ccsc3n2)CC[C@@H]1C[NH3+] ZINC000923502592 678136209 /nfs/dbraw/zinc/13/62/09/678136209.db2.gz CHKNNVQVEGEHBC-GHMZBOCLSA-N 2 0 292.408 1.173 10 0 CDAERP CC(C)[N@H+](C)CCN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925556629 678141114 /nfs/dbraw/zinc/14/11/14/678141114.db2.gz LCPZRJRQZHTZAV-RDBSUJKOSA-N 2 0 253.434 1.693 10 0 CDAERP CC[NH+]1CCC(CC[NH2+]C[C@H](O)c2ccc(F)cn2)CC1 ZINC000819105508 678143510 /nfs/dbraw/zinc/14/35/10/678143510.db2.gz FUQJYWMCNGTQKM-INIZCTEOSA-N 2 0 295.402 1.966 10 0 CDAERP O=C1O[C@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)CN1C1CC1 ZINC000848569653 678160234 /nfs/dbraw/zinc/16/02/34/678160234.db2.gz BVZQYTIEXHLXOC-OAHLLOKOSA-N 2 0 293.411 1.434 10 0 CDAERP C[C@H]([NH3+])c1ccc(NC(=O)C=C2CC[NH2+]CC2)cc1 ZINC000852798554 678178938 /nfs/dbraw/zinc/17/89/38/678178938.db2.gz LGVBNIAMSPITDF-NSHDSACASA-N 2 0 259.353 1.955 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000925800202 678222374 /nfs/dbraw/zinc/22/23/74/678222374.db2.gz WQSLOQRHKBSBSG-KBUPBQIOSA-N 3 0 251.418 1.448 10 0 CDAERP C[C@@H]1C[N@H+](C[C@H]2COc3ccccc3O2)CC[C@H]1C[NH3+] ZINC000709687337 679667400 /nfs/dbraw/zinc/66/74/00/679667400.db2.gz QOBGOSZACGJLAZ-RDBSUJKOSA-N 2 0 276.380 1.743 10 0 CDAERP CC(C)COC[C@H](O)C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925614911 679674931 /nfs/dbraw/zinc/67/49/31/679674931.db2.gz YAQPNALKJXOUEX-IXDOHACOSA-N 2 0 298.471 1.778 10 0 CDAERP COCCN1CCC([NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)CC1 ZINC000921595796 679679438 /nfs/dbraw/zinc/67/94/38/679679438.db2.gz PUGJGOINFJVPPY-BFYDXBDKSA-N 2 0 296.455 1.892 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000852882269 679683955 /nfs/dbraw/zinc/68/39/55/679683955.db2.gz BHLNDEKQSSFKBL-GJZGRUSLSA-N 2 0 277.412 1.144 10 0 CDAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@@H]3CC[C@H](C4CC4)O3)C[C@H]12 ZINC000715509093 679694697 /nfs/dbraw/zinc/69/46/97/679694697.db2.gz LBMPNFVGUNQDIQ-GZBLMMOJSA-N 2 0 250.386 1.613 10 0 CDAERP COC(=O)N1CCC(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000925673543 677751771 /nfs/dbraw/zinc/75/17/71/677751771.db2.gz YXHVOEUAPGQGKN-CHWSQXEVSA-N 2 0 281.400 1.324 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1CN2CCC[C@H]2CO1)C1CC(F)(F)C1 ZINC000862277387 677817454 /nfs/dbraw/zinc/81/74/54/677817454.db2.gz XOGMSNGWSCYIIM-WCFLWFBJSA-N 2 0 274.355 1.873 10 0 CDAERP C[C@@H](C[C@H]1COCCN1)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000925861857 677826080 /nfs/dbraw/zinc/82/60/80/677826080.db2.gz ULSHGBGBDJLXML-SOEBMCCKSA-N 2 0 295.471 1.750 10 0 CDAERP CN(CCC[NH+](C)C)CCNC(=O)C1CC2(CSC2)C1 ZINC000869241311 677834512 /nfs/dbraw/zinc/83/45/12/677834512.db2.gz CPTMVMBYTFGSNQ-UHFFFAOYSA-N 2 0 299.484 1.129 10 0 CDAERP C[C@@H](C(=O)N1CCCCC1)[N@H+](C)CCCCCC[NH3+] ZINC000710831666 677849973 /nfs/dbraw/zinc/84/99/73/677849973.db2.gz DUFMFWQTHZEDQD-AWEZNQCLSA-N 2 0 269.433 1.838 10 0 CDAERP CCOC(=O)c1ncc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)s1 ZINC000923487963 677863749 /nfs/dbraw/zinc/86/37/49/677863749.db2.gz CEWJQOMOPURLRM-QWRGUYRKSA-N 2 0 297.424 1.737 10 0 CDAERP C[C@H]1[C@H](NC(=O)N2CC[NH+](C3CCCC3)CC2)CC[N@@H+]1C ZINC000925318817 677872962 /nfs/dbraw/zinc/87/29/62/677872962.db2.gz HVWOAOITUBTPRM-DZGCQCFKSA-N 2 0 294.443 1.349 10 0 CDAERP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000929638371 677902754 /nfs/dbraw/zinc/90/27/54/677902754.db2.gz XSQPKNJRTHKKNL-FRRDWIJNSA-N 2 0 254.374 1.069 10 0 CDAERP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1cc(O)cc(F)c1 ZINC000926254260 677922726 /nfs/dbraw/zinc/92/27/26/677922726.db2.gz IRAHZVILESKKAQ-LLVKDONJSA-N 2 0 270.348 1.760 10 0 CDAERP CN1CC[NH+](CCCC[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925545889 677975093 /nfs/dbraw/zinc/97/50/93/677975093.db2.gz LKODWMNANVHSTL-HZPDHXFCSA-N 3 0 296.503 1.510 10 0 CDAERP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870973810 678015830 /nfs/dbraw/zinc/01/58/30/678015830.db2.gz FZPFYZHYSZMKOP-XFIYOXNOSA-N 2 0 293.455 1.931 10 0 CDAERP CCOC(=O)CC(C)(C)C[NH2+]C[C@@H]1CN2CCC[C@H]2CO1 ZINC000838938982 678046353 /nfs/dbraw/zinc/04/63/53/678046353.db2.gz WOZFSVKCNBAUEO-UONOGXRCSA-N 2 0 298.427 1.419 10 0 CDAERP CC1(C)CO[C@@H](C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000709850454 678081692 /nfs/dbraw/zinc/08/16/92/678081692.db2.gz UGGSLLOXPPOSRU-UKRRQHHQSA-N 2 0 252.402 1.877 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ncccc1C ZINC000849036892 678102729 /nfs/dbraw/zinc/10/27/29/678102729.db2.gz CUHVYUZPJYDJSG-AWEZNQCLSA-N 2 0 289.427 1.531 10 0 CDAERP c1cc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2c(c1)OCCO2 ZINC000925873986 678103664 /nfs/dbraw/zinc/10/36/64/678103664.db2.gz FJZGKLRVSRWIGY-YIONKMFJSA-N 2 0 288.391 1.873 10 0 CDAERP COC(=O)N1CCC(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925673545 678124963 /nfs/dbraw/zinc/12/49/63/678124963.db2.gz YXHVOEUAPGQGKN-QWHCGFSZSA-N 2 0 281.400 1.324 10 0 CDAERP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000713041088 678136925 /nfs/dbraw/zinc/13/69/25/678136925.db2.gz JYGGRBUZMUSHGM-ZIAGYGMSSA-N 2 0 283.460 1.796 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CCCCCN2CC[NH2+]CC2)CN1C1CC1 ZINC000925844809 678144129 /nfs/dbraw/zinc/14/41/29/678144129.db2.gz LZSFCTSWRNYKCB-CVEARBPZSA-N 2 0 294.487 1.277 10 0 CDAERP [NH3+]CCCCCCC[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872150223 678153346 /nfs/dbraw/zinc/15/33/46/678153346.db2.gz DVLRSBYOCJEDBU-RYUDHWBXSA-N 3 0 281.366 1.965 10 0 CDAERP CC/C=C(\F)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870017398 678154552 /nfs/dbraw/zinc/15/45/52/678154552.db2.gz MMVCWVFIGIBELP-HBMOZRESSA-N 2 0 285.407 1.448 10 0 CDAERP C[NH+](C)C[C@@H]1CN(C(=O)/C=C/C2CC2)C[C@H]1C[NH+](C)C ZINC000870021650 678156662 /nfs/dbraw/zinc/15/66/62/678156662.db2.gz SHSMXOVNCJBNHY-FHFZEBMASA-N 2 0 279.428 1.150 10 0 CDAERP CC1CC[NH+](CCN[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925549619 678168163 /nfs/dbraw/zinc/16/81/63/678168163.db2.gz YTYLAUYFUSHJFM-CQSZACIVSA-N 2 0 251.418 1.593 10 0 CDAERP C[N@H+](CCC[NH2+]C[C@H](O)CC(C)(C)O)C1CCCCC1 ZINC000871971207 678169487 /nfs/dbraw/zinc/16/94/87/678169487.db2.gz KAWSKEDZTIMRMF-OAHLLOKOSA-N 2 0 286.460 1.753 10 0 CDAERP CC[NH+]1CCC(C[NH2+][C@@H]2CCC2(OC)OC)CC1 ZINC000710933827 678206887 /nfs/dbraw/zinc/20/68/87/678206887.db2.gz UNJVOODUJKXOBB-CYBMUJFWSA-N 2 0 256.390 1.459 10 0 CDAERP C[NH+](C)C[C@@H]1CN(C(=O)C(F)=C2CCC2)C[C@H]1C[NH+](C)C ZINC000870018164 678217755 /nfs/dbraw/zinc/21/77/55/678217755.db2.gz XAXMOZMKLVSEFF-ZIAGYGMSSA-N 2 0 297.418 1.592 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000094440758 678241356 /nfs/dbraw/zinc/24/13/56/678241356.db2.gz PBOYVOAQEOUSJT-QPSCCSFWSA-N 2 0 251.418 1.401 10 0 CDAERP C[C@@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)C1CC[NH+](C)CC1 ZINC000714330767 678269002 /nfs/dbraw/zinc/26/90/02/678269002.db2.gz NXZSSMSASRZPFL-OCCSQVGLSA-N 2 0 288.457 1.274 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@]1(C)CC1(Cl)Cl ZINC000817935717 678280771 /nfs/dbraw/zinc/28/07/71/678280771.db2.gz DCYCDIKSROTFDW-NXEZZACHSA-N 2 0 269.216 1.914 10 0 CDAERP C[C@@H]1C[C@@H]1NC(=[NH2+])NCCC[N@@H+]1CCc2ccccc2C1 ZINC000864451167 678290389 /nfs/dbraw/zinc/29/03/89/678290389.db2.gz GBFXYNFIGLAGCD-CJNGLKHVSA-N 2 0 286.423 1.957 10 0 CDAERP C[NH+](C)CC1CCC([NH2+]C[C@H](O)c2ccc(F)cn2)CC1 ZINC000819184075 678294118 /nfs/dbraw/zinc/29/41/18/678294118.db2.gz AHGBHIOITBWHJG-PXCJXSSVSA-N 2 0 295.402 1.964 10 0 CDAERP C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2F)C[C@H]1CC[NH3+] ZINC000923429785 678301520 /nfs/dbraw/zinc/30/15/20/678301520.db2.gz AGUIZTDBBJJAMK-UEKVPHQBSA-N 2 0 284.350 1.915 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000713179301 678327461 /nfs/dbraw/zinc/32/74/61/678327461.db2.gz BWLJIGHSNRVODN-GZBFAFLISA-N 2 0 265.401 1.106 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cccnc1-n1ccnc1 ZINC000817898525 678334905 /nfs/dbraw/zinc/33/49/05/678334905.db2.gz HXAUZFAWHQACRC-NWDGAFQWSA-N 2 0 259.357 1.483 10 0 CDAERP CC(C)[NH2+]CCCNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870934918 678432651 /nfs/dbraw/zinc/43/26/51/678432651.db2.gz HGJWHSJGKWEFII-UHFFFAOYSA-N 2 0 253.390 1.023 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H]2CCc3nc[nH]c3C2)C1 ZINC000925669591 678433636 /nfs/dbraw/zinc/43/36/36/678433636.db2.gz VXIZDZRMIOPQRX-GRYCIOLGSA-N 2 0 262.401 1.763 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000233453875 678443953 /nfs/dbraw/zinc/44/39/53/678443953.db2.gz JKZCPCRHOFCILJ-KBPBESRZSA-N 2 0 281.444 1.707 10 0 CDAERP C[NH+](C)C1(CN[C@@H]2CC[NH2+]C23CCCC3)CCOCC1 ZINC000925491006 678446049 /nfs/dbraw/zinc/44/60/49/678446049.db2.gz URMMYRMKCHCJQP-CQSZACIVSA-N 2 0 281.444 1.362 10 0 CDAERP CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925648172 678462260 /nfs/dbraw/zinc/46/22/60/678462260.db2.gz PTFHHYJOWAOFLP-RFQIPJPRSA-N 2 0 270.417 1.676 10 0 CDAERP C[C@H]1C[C@H]1NC(=[NH2+])NCC1CC[NH+](C2CC2)CC1 ZINC000864464753 678465217 /nfs/dbraw/zinc/46/52/17/678465217.db2.gz HAGHHYAUYFUBSD-GXFFZTMASA-N 2 0 250.390 1.383 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000721475552 678467139 /nfs/dbraw/zinc/46/71/39/678467139.db2.gz ADNZWZMPIDMGOZ-MNOVXSKESA-N 2 0 284.322 1.264 10 0 CDAERP CC(C)OCC[C@@H](O)CN1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923530352 678483684 /nfs/dbraw/zinc/48/36/84/678483684.db2.gz IDADZFCZTWNVCH-CABCVRRESA-N 2 0 270.417 1.380 10 0 CDAERP CCN(C)C(=O)[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925648776 678485125 /nfs/dbraw/zinc/48/51/25/678485125.db2.gz FYQZDEIJTGOSRT-QJPTWQEYSA-N 2 0 255.406 1.349 10 0 CDAERP C[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)[C@H](CCO)c1ccccc1 ZINC000923317104 678495208 /nfs/dbraw/zinc/49/52/08/678495208.db2.gz YRRQMQRPWSIDRZ-JKSUJKDBSA-N 2 0 290.407 1.420 10 0 CDAERP CCO[C@H](C[NH2+][C@@H](C1CC1)[C@H]1CCCOC1)CN(C)C ZINC000926960881 678496104 /nfs/dbraw/zinc/49/61/04/678496104.db2.gz GZVPKGINKKYCNI-XHSDSOJGSA-N 2 0 284.444 1.748 10 0 CDAERP CCCCCC[C@@H](C)NC(=O)CN1CC[C@@H](C[NH3+])C1 ZINC000843348661 678500238 /nfs/dbraw/zinc/50/02/38/678500238.db2.gz WNMASUYFMSJLGF-KGLIPLIRSA-N 2 0 269.433 1.742 10 0 CDAERP CCC[N@@H+]1CC[C@H](C[NH2+]C2[C@H](C)COC[C@H]2C)C1 ZINC000924753848 678503640 /nfs/dbraw/zinc/50/36/40/678503640.db2.gz QOIORPQGNQFWCE-MGPQQGTHSA-N 2 0 254.418 1.979 10 0 CDAERP CNC(=O)C(C)(C)C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925604754 678611779 /nfs/dbraw/zinc/61/17/79/678611779.db2.gz AVIZGGBWTNYQRM-QWRGUYRKSA-N 2 0 255.406 1.254 10 0 CDAERP C[C@H]([NH2+]C[C@H](O)CC(C)(C)O)C(C)(C)C[NH+](C)C ZINC000872204353 678577878 /nfs/dbraw/zinc/57/78/78/678577878.db2.gz OPEQTBYHCJCLTB-NWDGAFQWSA-N 2 0 260.422 1.074 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CC[C@H](C(N)=O)CC1 ZINC000926601833 678611405 /nfs/dbraw/zinc/61/14/05/678611405.db2.gz XPJZEWFCNHUEFW-ZSVHUBBJSA-N 2 0 279.428 1.208 10 0 CDAERP COc1ccc(OCC[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000251533737 678619096 /nfs/dbraw/zinc/61/90/96/678619096.db2.gz ALEAUFIZTOPVAE-KGLIPLIRSA-N 2 0 278.396 1.991 10 0 CDAERP COc1cc(C[N@H+](C)C[C@@H]2CC3(C[NH2+]C3)CO2)ccc1O ZINC000923300362 678628567 /nfs/dbraw/zinc/62/85/67/678628567.db2.gz GNYLGNRLECSDDT-ZDUSSCGKSA-N 2 0 292.379 1.211 10 0 CDAERP CN(C)[C@H](CC[NH2+][C@@H]1CCCC[C@H]1C[NH3+])C(F)(F)F ZINC000925838516 678633778 /nfs/dbraw/zinc/63/37/78/678633778.db2.gz YGKUIRBCFJWOMM-QJPTWQEYSA-N 2 0 281.366 1.976 10 0 CDAERP O[C@H](C[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)C[NH+]1CCCC1 ZINC000723608546 678637885 /nfs/dbraw/zinc/63/78/85/678637885.db2.gz PUYANWPBNIMLNH-KLHDSHLOSA-N 2 0 282.428 1.238 10 0 CDAERP C[NH+](C)CCCNC(=S)NC1CC([NH+]2CCCCC2)C1 ZINC000795019137 678638770 /nfs/dbraw/zinc/63/87/70/678638770.db2.gz UCXFNXSRKAYWBJ-UHFFFAOYSA-N 2 0 298.500 1.419 10 0 CDAERP [NH3+]CCCCCC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000843508394 678687368 /nfs/dbraw/zinc/68/73/68/678687368.db2.gz RWEIFPJTDSYPJU-OAHLLOKOSA-N 2 0 275.396 1.590 10 0 CDAERP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NCC[NH+]1CCCC1 ZINC000713043989 678706015 /nfs/dbraw/zinc/70/60/15/678706015.db2.gz PGHQNJGMSRABHK-GFCCVEGCSA-N 2 0 255.406 1.208 10 0 CDAERP C(CC1CC[NH2+]CC1)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000843383582 678707238 /nfs/dbraw/zinc/70/72/38/678707238.db2.gz YRLZOWIEOAFJCC-MRXNPFEDSA-N 3 0 265.445 1.842 10 0 CDAERP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000923375352 678754571 /nfs/dbraw/zinc/75/45/71/678754571.db2.gz KNALZMFQYFMTGW-HOTGVXAUSA-N 3 0 281.444 1.347 10 0 CDAERP C(N[C@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925839109 678791483 /nfs/dbraw/zinc/79/14/83/678791483.db2.gz FTSBJHPPRNMDQA-SMLCLMEVSA-N 2 0 293.455 1.265 10 0 CDAERP C[C@@H]1[C@H](NC(=O)NCc2cnc3n2CCCC3)CC[N@@H+]1C ZINC000922397262 678804047 /nfs/dbraw/zinc/80/40/47/678804047.db2.gz JDLXZIGHZRKXOW-DGCLKSJQSA-N 2 0 291.399 1.111 10 0 CDAERP [NH3+]C[C@]12CCC[C@H]1C[N@H+](C[C@H](O)CC1CCCC1)C2 ZINC000311977303 678808490 /nfs/dbraw/zinc/80/84/90/678808490.db2.gz QBOGJQDZFUKKLK-XHSDSOJGSA-N 2 0 266.429 1.988 10 0 CDAERP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CCCCCCO)C1 ZINC000846227273 678817220 /nfs/dbraw/zinc/81/72/20/678817220.db2.gz MAAZNVPZUGWPEZ-OAGGEKHMSA-N 2 0 284.444 1.900 10 0 CDAERP CC1(C)[C@H]([NH2+]CCOc2ncccc2F)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925614963 678817357 /nfs/dbraw/zinc/81/73/57/678817357.db2.gz DCYAQZRLQTWVBA-KWCYVHTRSA-N 2 0 293.386 1.966 10 0 CDAERP CCN(CC)C(=O)C[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714459145 678874822 /nfs/dbraw/zinc/87/48/22/678874822.db2.gz WRCZYBFBRUFFSO-UHFFFAOYSA-N 2 0 269.433 1.552 10 0 CDAERP CC1(C)C[NH2+][C@@H]1C(=O)N1c2ccccc2[C@H]([NH3+])C1(C)C ZINC000867988835 678875518 /nfs/dbraw/zinc/87/55/18/678875518.db2.gz VFSGESFJXMLFKW-QWHCGFSZSA-N 2 0 273.380 1.810 10 0 CDAERP C([NH2+][C@H]1CCOC12CCOCC2)C1CC[NH+](C2CC2)CC1 ZINC000926306814 678878520 /nfs/dbraw/zinc/87/85/20/678878520.db2.gz HWHYOXCAZDHUMN-INIZCTEOSA-N 2 0 294.439 1.789 10 0 CDAERP C[NH+](C)C1CCN(C(=O)c2cccc(C[NH3+])c2)CC1 ZINC000036190857 678893998 /nfs/dbraw/zinc/89/39/98/678893998.db2.gz WKAMOBJDPCZQJM-UHFFFAOYSA-N 2 0 261.369 1.312 10 0 CDAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=[NH2+])NCCC2CC2)C1 ZINC000864451598 678909242 /nfs/dbraw/zinc/90/92/42/678909242.db2.gz XXUNTTNBXGRUHO-AWEZNQCLSA-N 2 0 282.432 1.257 10 0 CDAERP [NH3+]Cc1ccc2c(c1)CCCN2C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000841848669 678909389 /nfs/dbraw/zinc/90/93/89/678909389.db2.gz PBGDTVJZIHQHEQ-HNNXBMFYSA-N 2 0 287.407 1.957 10 0 CDAERP COC[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)C1CCOCC1 ZINC000925803426 678917880 /nfs/dbraw/zinc/91/78/80/678917880.db2.gz OILJDCUTXJEREU-BPLDGKMQSA-N 2 0 270.417 1.263 10 0 CDAERP CC(C)C[C@@H](CN[C@@H]1CC[NH2+]C12CCC2)[NH+](C)C ZINC000925535654 678932812 /nfs/dbraw/zinc/93/28/12/678932812.db2.gz IGUAYPCXGGIZMZ-UONOGXRCSA-N 2 0 253.434 1.837 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)CC[NH2+]CC1CC1 ZINC000717190127 678935041 /nfs/dbraw/zinc/93/50/41/678935041.db2.gz JHPWZDJRPJOVCV-AWEZNQCLSA-N 2 0 269.433 1.469 10 0 CDAERP CC[N@H+](CCc1nccs1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923371135 678938326 /nfs/dbraw/zinc/93/83/26/678938326.db2.gz PPKWRZXLKMPPFY-GFCCVEGCSA-N 2 0 281.425 1.386 10 0 CDAERP CCO[C@H](CN[C@H](C)[C@H]1CCCC[NH2+]1)C[NH+](C)C ZINC000925837636 678954714 /nfs/dbraw/zinc/95/47/14/678954714.db2.gz RVSCRMNFFBQHHR-MGPQQGTHSA-N 2 0 257.422 1.073 10 0 CDAERP [NH3+]CC(F)(F)Cc1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000844917654 678965865 /nfs/dbraw/zinc/96/58/65/678965865.db2.gz MEEZMBVVIITXAE-UHFFFAOYSA-N 2 0 279.250 1.521 10 0 CDAERP C[C@H]1C[C@@H](NC(=O)C=C2CC[NH2+]CC2)C[N@@H+]1C1CC1 ZINC000852872854 678978802 /nfs/dbraw/zinc/97/88/02/678978802.db2.gz SKUYBXQQBMMWEA-WCQYABFASA-N 2 0 263.385 1.038 10 0 CDAERP CC1=C(C(=O)NCCN(C)CCC[NH+](C)C)CCCO1 ZINC000855414651 678981917 /nfs/dbraw/zinc/98/19/17/678981917.db2.gz JCIRZHAQZOOHNT-UHFFFAOYSA-N 2 0 283.416 1.071 10 0 CDAERP C[N@H+](CCNC(=O)CCC12CC(C1)C[NH2+]2)C1CCCC1 ZINC000870882956 679007830 /nfs/dbraw/zinc/00/78/30/679007830.db2.gz WSDPUCCZADNSCR-UHFFFAOYSA-N 2 0 279.428 1.509 10 0 CDAERP [NH3+][C@H]1C[C@@H]([NH2+]CCNC(=O)c2ccccc2)C12CCC2 ZINC000925572547 679013824 /nfs/dbraw/zinc/01/38/24/679013824.db2.gz JMOHLPLJADKBKR-UONOGXRCSA-N 2 0 273.380 1.276 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C1CCC1)[C@@H]1CCCO1 ZINC000866263647 679017013 /nfs/dbraw/zinc/01/70/13/679017013.db2.gz RMPRBVVEIHRCHE-PVAVHDDUSA-N 2 0 295.471 1.560 10 0 CDAERP C(C1CC1)[NH+]1CCC([NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000866445698 679023706 /nfs/dbraw/zinc/02/37/06/679023706.db2.gz AWCNVSPYZGMOST-GMBUGEKQSA-N 2 0 276.424 1.874 10 0 CDAERP C(NC1=[NH+]CCCCN1)C1CC[NH+](C2CC2)CC1 ZINC000849217065 679054407 /nfs/dbraw/zinc/05/44/07/679054407.db2.gz XSZXIKPYYNWWIP-UHFFFAOYSA-N 2 0 250.390 1.190 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)CC[NH2+]CC1CC1 ZINC000870866252 679067698 /nfs/dbraw/zinc/06/76/98/679067698.db2.gz PLLFZVFMQXJTPO-CYBMUJFWSA-N 2 0 267.417 1.367 10 0 CDAERP [NH3+]CCCCCC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000846221125 679089996 /nfs/dbraw/zinc/08/99/96/679089996.db2.gz SUOKGUFIARHTHF-CABCVRRESA-N 3 0 253.434 1.970 10 0 CDAERP COc1ccc([C@H](C[NH3+])CN2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1 ZINC000872154542 679094707 /nfs/dbraw/zinc/09/47/07/679094707.db2.gz SHXFEDBCPKOTKL-HLLBOEOZSA-N 2 0 289.423 1.279 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](C[C@H](O)C2(O)CCCC2)CC1 ZINC000929276136 679114860 /nfs/dbraw/zinc/11/48/60/679114860.db2.gz OXRPLSHRUJOGAS-INIZCTEOSA-N 2 0 298.471 1.706 10 0 CDAERP C[NH+](C)CCN1CCC([NH2+]Cc2ccnc(F)c2)CC1 ZINC000858094423 679117926 /nfs/dbraw/zinc/11/79/26/679117926.db2.gz GATUXHDZHLZTGH-UHFFFAOYSA-N 2 0 280.391 1.336 10 0 CDAERP C[N@H+](CCCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2)C1CC1 ZINC000925686037 679118542 /nfs/dbraw/zinc/11/85/42/679118542.db2.gz QQXGCNYZTFOKFG-KBPBESRZSA-N 3 0 251.418 1.720 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CC[N@H+](C)[C@@H](C(C)(C)C)C1 ZINC000880612756 679125927 /nfs/dbraw/zinc/12/59/27/679125927.db2.gz JQDVHUVUPXSYGW-CQSZACIVSA-N 2 0 283.460 1.907 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000872306693 679128585 /nfs/dbraw/zinc/12/85/85/679128585.db2.gz SKPNZWIWLGTIKP-JYYAWHABSA-N 2 0 291.439 1.352 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000854229822 679128635 /nfs/dbraw/zinc/12/86/35/679128635.db2.gz XZAHOBWDWPYERA-TUAOUCFPSA-N 2 0 262.344 1.908 10 0 CDAERP CC(C)(O)C[C@H](O)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000872204216 679132685 /nfs/dbraw/zinc/13/26/85/679132685.db2.gz WLHOWLPHRFLPNA-INIZCTEOSA-N 2 0 298.471 1.895 10 0 CDAERP [NH3+]C[C@H]1C[N@H+](CC2CCOCC2)C[C@H]1C(F)(F)F ZINC000720842411 679132971 /nfs/dbraw/zinc/13/29/71/679132971.db2.gz ZSXUASOBJCRODW-WDEREUQCSA-N 2 0 266.307 1.482 10 0 CDAERP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000854229732 679135085 /nfs/dbraw/zinc/13/50/85/679135085.db2.gz VQVBLNUKZNHZBG-CLPYTZEMSA-N 2 0 290.354 1.143 10 0 CDAERP CC[C@H](C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1)[NH+](C)C ZINC000870989192 679135721 /nfs/dbraw/zinc/13/57/21/679135721.db2.gz AEKYINHXAGIFAT-DOMZBBRYSA-N 2 0 269.433 1.550 10 0 CDAERP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711318067 679137405 /nfs/dbraw/zinc/13/74/05/679137405.db2.gz TUOFNCJSNWAFEQ-KBPBESRZSA-N 2 0 283.460 1.859 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCOc2cccnc2)C1 ZINC000925488784 679142734 /nfs/dbraw/zinc/14/27/34/679142734.db2.gz LJMSPWSSKDYAQI-STQMWFEESA-N 2 0 263.385 1.956 10 0 CDAERP CCC(CC)NC(=[NH2+])NC[C@H]1CCC[N@@H+]1CCOC ZINC000864456091 679143831 /nfs/dbraw/zinc/14/38/31/679143831.db2.gz BZDGRUVVTOEUDE-CYBMUJFWSA-N 2 0 270.421 1.400 10 0 CDAERP CCCCCC[N@H+](C)CC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000834546961 679152706 /nfs/dbraw/zinc/15/27/06/679152706.db2.gz XOJPMRVTFLHJCD-KBPBESRZSA-N 2 0 269.433 1.613 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)CN1CCC[C@]2(CC2(F)F)C1 ZINC000852214464 679157568 /nfs/dbraw/zinc/15/75/68/679157568.db2.gz YMWREKZJAQSNNO-STQMWFEESA-N 2 0 276.371 1.809 10 0 CDAERP CC1(C)CO[C@H](C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000708342162 679163296 /nfs/dbraw/zinc/16/32/96/679163296.db2.gz ZMQZOGSHZYCAGA-FQUUOJAGSA-N 2 0 252.402 1.861 10 0 CDAERP CNC(=O)c1cccc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC000923495980 679171606 /nfs/dbraw/zinc/17/16/06/679171606.db2.gz GJIFMUMDGFRFOL-IUODEOHRSA-N 2 0 275.396 1.463 10 0 CDAERP CNC(=O)[C@H](C)C[N@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923314757 679178551 /nfs/dbraw/zinc/17/85/51/679178551.db2.gz LTOLOTCTWGWTCY-RLAWYHOSSA-N 2 0 267.417 1.221 10 0 CDAERP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cn1 ZINC000925786079 679180440 /nfs/dbraw/zinc/18/04/40/679180440.db2.gz NUFNYIBDZIHYMD-BZPMIXESSA-N 2 0 263.385 1.466 10 0 CDAERP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccnnc1 ZINC000925240838 679183483 /nfs/dbraw/zinc/18/34/83/679183483.db2.gz LHRGNUZCFHQIPX-OCCSQVGLSA-N 2 0 266.389 1.484 10 0 CDAERP CCCN(CC[NH+](CC)CC)C(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000925333955 679184425 /nfs/dbraw/zinc/18/44/25/679184425.db2.gz YKYGQKOILKDLBK-GJZGRUSLSA-N 2 0 298.475 1.842 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@H]2CCc3ccccc32)CC1 ZINC000925809302 679187107 /nfs/dbraw/zinc/18/71/07/679187107.db2.gz PQYSGNMYGNTJRF-INIZCTEOSA-N 2 0 259.397 1.687 10 0 CDAERP C[C@H]1CC[C@H](NC(=O)NCCCCCCC[NH+](C)C)C[NH2+]1 ZINC000861566438 679196321 /nfs/dbraw/zinc/19/63/21/679196321.db2.gz LGGIYCHALVRMJT-GJZGRUSLSA-N 2 0 298.475 1.938 10 0 CDAERP c1ccc2c(c1)cccc2OCCN1CC[NH2+]CC[NH2+]CC1 ZINC000923461438 679202266 /nfs/dbraw/zinc/20/22/66/679202266.db2.gz NGFGOOGJXHDCCI-UHFFFAOYSA-N 2 0 299.418 1.713 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@@H](O)c2ccco2)C1 ZINC000925607334 679207024 /nfs/dbraw/zinc/20/70/24/679207024.db2.gz VLUKSFDLFRZAAI-IJLUTSLNSA-N 2 0 252.358 1.809 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000852863769 679209191 /nfs/dbraw/zinc/20/91/91/679209191.db2.gz ZLPOGBIPNPCVRE-OAHLLOKOSA-N 2 0 277.412 1.383 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925840495 679349935 /nfs/dbraw/zinc/34/99/35/679349935.db2.gz MMEUJTMVZKJESD-BYNSBNAKSA-N 3 0 251.418 1.626 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001266488037 1158557020 /nfs/dbraw/zinc/55/70/20/1158557020.db2.gz BAANAGZVWGGXFN-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CC[NH+](CC)CC[C@H](CO)[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000922223051 679353236 /nfs/dbraw/zinc/35/32/36/679353236.db2.gz UFFUPYOZGWSBMD-MWDXBVQZSA-N 2 0 298.471 1.874 10 0 CDAERP CN1CC[NH+](CCCC[NH2+][C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925544850 679367366 /nfs/dbraw/zinc/36/73/66/679367366.db2.gz DOVKLOYDJBXIKX-MRXNPFEDSA-N 3 0 294.487 1.278 10 0 CDAERP C[C@H](N[C@H](CC[NH+](C)C)c1cccnc1)[C@@H]1CCC[NH2+]1 ZINC000925825579 679400058 /nfs/dbraw/zinc/40/00/58/679400058.db2.gz AQYBAKVMSFPEPD-CWRNSKLLSA-N 2 0 276.428 1.805 10 0 CDAERP CO[C@H](CN1CC[C@@H]2C[NH2+]C[C@@H]21)C1CCCCC1 ZINC000852749819 679425453 /nfs/dbraw/zinc/42/54/53/679425453.db2.gz QFODKKFPSRARDN-QLFBSQMISA-N 2 0 252.402 1.875 10 0 CDAERP C[C@@H]1OCC[C@@H]1[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925887047 679431301 /nfs/dbraw/zinc/43/13/01/679431301.db2.gz QAAWOBOBUNOSDH-QCEMKRCNSA-N 2 0 260.381 1.813 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+][C@@H]1CO[C@@H](C)[C@H]1C ZINC000926149553 679443744 /nfs/dbraw/zinc/44/37/44/679443744.db2.gz CQGGILBSGIIMMC-HZSPNIEDSA-N 2 0 258.406 1.358 10 0 CDAERP C[C@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCc2ccc(F)cc21 ZINC000923393400 679458658 /nfs/dbraw/zinc/45/86/58/679458658.db2.gz PRPZRDSBQYQCOU-NZBMOFRJSA-N 2 0 278.371 1.638 10 0 CDAERP CN(C)C(=O)CC[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705849 679462769 /nfs/dbraw/zinc/46/27/69/679462769.db2.gz CPWMNSJTNMJMNI-CQSZACIVSA-N 2 0 255.406 1.162 10 0 CDAERP CCS[C@@H]1CC[C@H]([N@H+](C)C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923314400 679465213 /nfs/dbraw/zinc/46/52/13/679465213.db2.gz HAXNLDQAZXRZGY-MELADBBJSA-N 2 0 284.469 1.971 10 0 CDAERP C[C@H]1C[N@H+](CC(=O)NCCC(C)(C)C)CC[C@@H]1C[NH3+] ZINC000923499429 679470214 /nfs/dbraw/zinc/47/02/14/679470214.db2.gz NTICRQJZZFGKOC-QWHCGFSZSA-N 2 0 269.433 1.456 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925817380 679477074 /nfs/dbraw/zinc/47/70/74/679477074.db2.gz QYGRALZJDCUCGE-SJORKVTESA-N 3 0 294.487 1.167 10 0 CDAERP CCN(C)C(=O)[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925648777 679482507 /nfs/dbraw/zinc/48/25/07/679482507.db2.gz FYQZDEIJTGOSRT-SDDRHHMPSA-N 2 0 255.406 1.349 10 0 CDAERP CC1(C)CC[C@H](C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)OC1 ZINC000713597213 679491974 /nfs/dbraw/zinc/49/19/74/679491974.db2.gz RSHBVNPMBQIDLU-DGAVXFQQSA-N 2 0 252.402 1.861 10 0 CDAERP Cc1cncc([C@@H]2CCC[N@@H+]2CCN2CC[NH2+]CC2)c1 ZINC000866719587 679502411 /nfs/dbraw/zinc/50/24/11/679502411.db2.gz ALFHNDSVWAXWOL-INIZCTEOSA-N 2 0 274.412 1.432 10 0 CDAERP NC[C@H]([NH2+]CCc1ccc(C(N)=O)cc1)C1CCCCC1 ZINC000866666592 679508109 /nfs/dbraw/zinc/50/81/09/679508109.db2.gz SPGYSNVSRGRXEE-INIZCTEOSA-N 2 0 289.423 1.825 10 0 CDAERP c1cc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)sn1 ZINC000709914926 679514707 /nfs/dbraw/zinc/51/47/07/679514707.db2.gz HHHZXLQQCCYNEE-RYUDHWBXSA-N 2 0 251.399 1.902 10 0 CDAERP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=[NH2+])NC2CC2)C1 ZINC000848988095 679536937 /nfs/dbraw/zinc/53/69/37/679536937.db2.gz FPWJSDRPBJDQJL-VXGBXAGGSA-N 2 0 252.406 1.631 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@@H]1CC[NH+](C)[C@H]1C ZINC000923057917 679558832 /nfs/dbraw/zinc/55/88/32/679558832.db2.gz KFLSZXIRFCWZBY-UONOGXRCSA-N 2 0 284.448 1.356 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)C=C2CC[NH2+]CC2)C[C@@H]1C ZINC000852869606 679588427 /nfs/dbraw/zinc/58/84/27/679588427.db2.gz CQEISMGNVILRTN-DZGCQCFKSA-N 2 0 279.428 1.627 10 0 CDAERP CC(C)C[N@H+](C)CCC[NH2+][C@H]1CCOC12CCOCC2 ZINC000926643908 679593700 /nfs/dbraw/zinc/59/37/00/679593700.db2.gz CZLWOPXDGZGBGE-HNNXBMFYSA-N 2 0 284.444 1.892 10 0 CDAERP CC(C)CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001266638469 1158714146 /nfs/dbraw/zinc/71/41/46/1158714146.db2.gz UWMABLKJBGAWGA-KKUMJFAQSA-N 2 0 281.444 1.611 10 0 CDAERP C([C@@H]1CCCOC1)[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001772538590 1158810632 /nfs/dbraw/zinc/81/06/32/1158810632.db2.gz WUEKVLCAUHKQNK-AWEZNQCLSA-N 2 0 282.428 1.646 10 0 CDAERP CC[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CCCF ZINC001267819732 1159605942 /nfs/dbraw/zinc/60/59/42/1159605942.db2.gz HMHCIVSMVPPLHU-CHWSQXEVSA-N 2 0 273.396 1.172 10 0 CDAERP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)C[NH2+]CCCF ZINC001732366800 1159785715 /nfs/dbraw/zinc/78/57/15/1159785715.db2.gz RLICCKUTHIQXRW-CYBMUJFWSA-N 2 0 287.423 1.420 10 0 CDAERP C[C@H]1C[N@H+](Cc2nc(N)c3ccccc3n2)CC[C@H]1C[NH3+] ZINC000923500111 1161545477 /nfs/dbraw/zinc/54/54/77/1161545477.db2.gz UXBRCFSCFXVOEF-RYUDHWBXSA-N 2 0 285.395 1.629 10 0 CDAERP CCC[N@@H+]1CC[C@@]2(NC(=O)[C@H](CC)[NH+](C)C)CCC[C@H]12 ZINC001410890100 1161960683 /nfs/dbraw/zinc/96/06/83/1161960683.db2.gz DSAKSDXTOXCPJV-DZKIICNBSA-N 2 0 281.444 1.850 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)[C@H](C)CC[NH+](C)C ZINC001634955046 1166550431 /nfs/dbraw/zinc/55/04/31/1166550431.db2.gz GETZVTBKBHOHDZ-CYBMUJFWSA-N 2 0 257.422 1.422 10 0 CDAERP CC[NH+](CC)CC(=O)N1CC[C@@H](CC[NH+](C)C)C1 ZINC001645128514 1167369181 /nfs/dbraw/zinc/36/91/81/1167369181.db2.gz IEWUCTZLAYDYLK-CYBMUJFWSA-N 2 0 255.406 1.128 10 0 CDAERP C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CCC[NH+](CCC3)C4)[C@H]2C1 ZINC001647010612 1168346034 /nfs/dbraw/zinc/34/60/34/1168346034.db2.gz MVLDUWXOZQIMCA-SOUVJXGZSA-N 2 0 291.439 1.319 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1cncs1)[NH+](C)C ZINC001568645740 1169412263 /nfs/dbraw/zinc/41/22/63/1169412263.db2.gz KBGFHZIULXHWQS-DGCLKSJQSA-N 2 0 298.456 1.468 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2COC3(CCOCC3)O2)CC1(C)C ZINC001649924780 1169503247 /nfs/dbraw/zinc/50/32/47/1169503247.db2.gz ZJKZBKYQGHATIQ-ZIAGYGMSSA-N 2 0 298.427 1.371 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NC/C=C/C[NH2+]CC2CC2)CC[N@@H+]1C ZINC001568906732 1169543839 /nfs/dbraw/zinc/54/38/39/1169543839.db2.gz WSOLBSDMPJROSO-CSDYLXSXSA-N 2 0 279.428 1.389 10 0 CDAERP CCC/C=C\CC[NH2+]C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001569030286 1169603588 /nfs/dbraw/zinc/60/35/88/1169603588.db2.gz LCWFUFGIWWHDLO-IYKSTZQJSA-N 2 0 293.455 1.923 10 0 CDAERP COCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001569061227 1169624560 /nfs/dbraw/zinc/62/45/60/1169624560.db2.gz BLDVEDXIAYXGIG-ZFWWWQNUSA-N 2 0 297.443 1.134 10 0 CDAERP CC/C=C/CC[NH2+]C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001569077795 1169632532 /nfs/dbraw/zinc/63/25/32/1169632532.db2.gz JZWYLUHKZPWRLA-GJBLVYBDSA-N 2 0 281.444 1.779 10 0 CDAERP CCOCCC[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001569075980 1169632630 /nfs/dbraw/zinc/63/26/30/1169632630.db2.gz LVQJXZGBPLSHFO-KKUMJFAQSA-N 2 0 299.459 1.238 10 0 CDAERP CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CCCF)[NH+](C)C ZINC001570090054 1170075548 /nfs/dbraw/zinc/07/55/48/1170075548.db2.gz IOSARSOCHNXZLA-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@]2(CCOC2=O)C1 ZINC001655919684 1171744278 /nfs/dbraw/zinc/74/42/78/1171744278.db2.gz WGRGBMKVWDPSAD-JSGCOSHPSA-N 2 0 252.358 1.110 10 0 CDAERP CC(C)[NH2+][C@H]1C[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001656170188 1171784522 /nfs/dbraw/zinc/78/45/22/1171784522.db2.gz OUYUYLBYRAPDBV-MELADBBJSA-N 2 0 267.417 1.221 10 0 CDAERP CC[N@H+](C)CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001660322088 1172195126 /nfs/dbraw/zinc/19/51/26/1172195126.db2.gz OLTIPDIHBJZRPL-UHFFFAOYSA-N 2 0 255.406 1.176 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]CCCF)C1CC1 ZINC001661143678 1172343432 /nfs/dbraw/zinc/34/34/32/1172343432.db2.gz ZLDBWJVAHXSWAF-ZIAGYGMSSA-N 2 0 285.407 1.315 10 0 CDAERP C[NH+](C)CCCCC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC2)C1 ZINC001661678861 1172425806 /nfs/dbraw/zinc/42/58/06/1172425806.db2.gz VBAMBAKFSPILIR-GASCZTMLSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001661947590 1172470941 /nfs/dbraw/zinc/47/09/41/1172470941.db2.gz WMHGQPRMPRQOAF-HNNXBMFYSA-N 2 0 281.444 1.875 10 0 CDAERP C[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]C/C=C/Cl)C2)CC1 ZINC001662681117 1172580666 /nfs/dbraw/zinc/58/06/66/1172580666.db2.gz YYXJKEMKSCFRCF-NHEDYWLLSA-N 2 0 299.846 1.519 10 0 CDAERP CC(C)[NH2+]CCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001664309409 1172837968 /nfs/dbraw/zinc/83/79/68/1172837968.db2.gz OZVKKTDJMUZNMH-UONOGXRCSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001666482467 1173138818 /nfs/dbraw/zinc/13/88/18/1173138818.db2.gz PWNRPQDEOMIKSE-LSDHHAIUSA-N 2 0 279.428 1.485 10 0 CDAERP Cc1nc[nH]c1CC(=O)NC[C@H](C)C[NH2+]CC[C@@H](C)F ZINC001666657409 1173167942 /nfs/dbraw/zinc/16/79/42/1173167942.db2.gz ZTHZFZFNMWQXNY-GHMZBOCLSA-N 2 0 284.379 1.351 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC/C=C/C[NH2+]CCF ZINC001669200332 1173516889 /nfs/dbraw/zinc/51/68/89/1173516889.db2.gz CUUJJODVYGVHRJ-AYIQIARFSA-N 2 0 271.380 1.091 10 0 CDAERP CCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001673131272 1173826896 /nfs/dbraw/zinc/82/68/96/1173826896.db2.gz AKAIFHLDHMOZIE-HUUCEWRRSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C)C1C[NH+](CC=C(C)C)C1)[NH+](C)C ZINC001675360235 1174106184 /nfs/dbraw/zinc/10/61/84/1174106184.db2.gz VLZKHXSKAIOZRW-HIFRSBDPSA-N 2 0 281.444 1.729 10 0 CDAERP CCC[NH2+][C@H](C)[C@H]1CN(C(=O)CCCC[NH+](C)C)CCO1 ZINC001675621567 1174133006 /nfs/dbraw/zinc/13/30/06/1174133006.db2.gz PEGUZGJNPYZHEY-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[NH+]1CCCC1 ZINC001676272903 1174197622 /nfs/dbraw/zinc/19/76/22/1174197622.db2.gz FKQURNKMJDDTFV-HIFRSBDPSA-N 2 0 299.434 1.657 10 0 CDAERP C[NH+](C)C1(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCCF)C2)CCC1 ZINC001688984518 1175079546 /nfs/dbraw/zinc/07/95/46/1175079546.db2.gz DONAAUSDRQLHBT-UONOGXRCSA-N 2 0 299.434 1.705 10 0 CDAERP CCOCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001698762119 1175922808 /nfs/dbraw/zinc/92/28/08/1175922808.db2.gz SLSDZWDQPCGDFH-ILXRZTDVSA-N 2 0 299.459 1.095 10 0 CDAERP COCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001699365051 1176320133 /nfs/dbraw/zinc/32/01/33/1176320133.db2.gz BLDVEDXIAYXGIG-HIFRSBDPSA-N 2 0 297.443 1.134 10 0 CDAERP CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001699953667 1176694767 /nfs/dbraw/zinc/69/47/67/1176694767.db2.gz WCJGSMLWPHHCDP-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP CCC[NH2+]CC[C@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001700088849 1176744860 /nfs/dbraw/zinc/74/48/60/1176744860.db2.gz VKDXDLAZAPJHKT-AWEZNQCLSA-N 2 0 269.433 1.566 10 0 CDAERP CC(C)[C@H](C(=O)NCC1([NH2+]CCCF)CCC1)[NH+](C)C ZINC001700137112 1176765083 /nfs/dbraw/zinc/76/50/83/1176765083.db2.gz URKSQMUYYRYQCF-CYBMUJFWSA-N 2 0 287.423 1.561 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]CCC2CC2)C1 ZINC001700375646 1176883474 /nfs/dbraw/zinc/88/34/74/1176883474.db2.gz IRYBYCHQKXIBMH-UYSNPLJNSA-N 2 0 293.455 1.755 10 0 CDAERP CCCCC[N@H+](C)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001700482982 1176971362 /nfs/dbraw/zinc/97/13/62/1176971362.db2.gz JDFSUFKLVQERIC-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001700634249 1177046384 /nfs/dbraw/zinc/04/63/84/1177046384.db2.gz JOPVYFVFSSVAQZ-IHRRRGAJSA-N 2 0 299.434 1.703 10 0 CDAERP CC(C)[NH2+]CCC[C@@H](C)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001700689668 1177076585 /nfs/dbraw/zinc/07/65/85/1177076585.db2.gz XEDBYAAEWIZLMJ-LSDHHAIUSA-N 2 0 299.459 1.238 10 0 CDAERP CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001700733455 1177099205 /nfs/dbraw/zinc/09/92/05/1177099205.db2.gz ZFRBIYYHGMJLQB-TZMCWYRMSA-N 2 0 267.417 1.175 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]CCCF)CN1C(=O)CCC[NH+](C)C ZINC001700843447 1177162722 /nfs/dbraw/zinc/16/27/22/1177162722.db2.gz VQDJBFDHTHMUFG-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP CC(C)(C)[C@H](C[NH2+]CCF)NC(=O)C12CCC[NH+]1CCC2 ZINC001700989635 1177227675 /nfs/dbraw/zinc/22/76/75/1177227675.db2.gz OLCMVLQWDNWYPB-ZDUSSCGKSA-N 2 0 299.434 1.705 10 0 CDAERP CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001707137150 1177956136 /nfs/dbraw/zinc/95/61/36/1177956136.db2.gz DXLZSTCAWHLDGG-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)CC[C@H]1CCCO1 ZINC001707400330 1178017935 /nfs/dbraw/zinc/01/79/35/1178017935.db2.gz ZDENZRMKOCNCPU-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP COCCCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001713088989 1178361593 /nfs/dbraw/zinc/36/15/93/1178361593.db2.gz XDKBHUFKZNTLEH-OAHLLOKOSA-N 2 0 297.443 1.089 10 0 CDAERP COCC[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001713375376 1178527434 /nfs/dbraw/zinc/52/74/34/1178527434.db2.gz PMOYUVGDPLHNSH-KGLIPLIRSA-N 2 0 297.443 1.134 10 0 CDAERP C[NH+]1CCC(C(=O)N[C@H]2CCC[C@H]([NH2+]CCCF)C2)CC1 ZINC001713379440 1178528958 /nfs/dbraw/zinc/52/89/58/1178528958.db2.gz RKXVEBMGGQZPKA-GJZGRUSLSA-N 2 0 299.434 1.705 10 0 CDAERP CC(C)=CC[NH2+][C@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001713877619 1178810681 /nfs/dbraw/zinc/81/06/81/1178810681.db2.gz YJDIAEOBWWBAQG-MRXNPFEDSA-N 2 0 293.455 1.779 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001713958544 1178887647 /nfs/dbraw/zinc/88/76/47/1178887647.db2.gz GZOMLSJBDYVGGB-SHTZXODSSA-N 2 0 281.444 1.755 10 0 CDAERP CCCC[NH2+][C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001714234429 1179036164 /nfs/dbraw/zinc/03/61/64/1179036164.db2.gz AVGHAWLSULJBPA-GXTWGEPZSA-N 2 0 267.417 1.223 10 0 CDAERP C[NH+](C)CCC(=O)NCCC[C@@H]1CCC[N@@H+]1CC1CC1 ZINC001714527499 1179182704 /nfs/dbraw/zinc/18/27/04/1179182704.db2.gz NSPUZMPORAWQTR-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP COCC[N@@H+]1CCC[C@H]1CCCNC(=O)C[NH+]1CCCC1 ZINC001714538566 1179194742 /nfs/dbraw/zinc/19/47/42/1179194742.db2.gz FLCMOPKZZSRTJB-OAHLLOKOSA-N 2 0 297.443 1.089 10 0 CDAERP CC(C)CCC[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001714795426 1179400960 /nfs/dbraw/zinc/40/09/60/1179400960.db2.gz NWJMFPGVMXBORY-AWEZNQCLSA-N 2 0 269.433 1.422 10 0 CDAERP CN(CC[NH2+]CC1CC(C)(C)C1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001714794966 1179401015 /nfs/dbraw/zinc/40/10/15/1179401015.db2.gz MACFSVVWYGTIHA-AWEZNQCLSA-N 2 0 281.444 1.422 10 0 CDAERP C[C@@H](C[NH2+]CCCO)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001715364794 1179643782 /nfs/dbraw/zinc/64/37/82/1179643782.db2.gz DNZXUYAMIUWYPO-GJZGRUSLSA-N 2 0 299.459 1.070 10 0 CDAERP CCN(CC[NH2+]CC[C@H](C)F)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001715741789 1179787069 /nfs/dbraw/zinc/78/70/69/1179787069.db2.gz GAUAFJAYPFTEFY-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP CCN(CC[NH2+]CC[C@@H](C)F)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001715741791 1179787167 /nfs/dbraw/zinc/78/71/67/1179787167.db2.gz GAUAFJAYPFTEFY-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC/C=C\C[NH2+]CC2CCC2)CC[N@@H+]1C ZINC001715818269 1179846365 /nfs/dbraw/zinc/84/63/65/1179846365.db2.gz NSGYXKOOOMNDLD-XETQRACLSA-N 2 0 293.455 1.779 10 0 CDAERP C[C@@H](CC[NH2+]Cc1ccccc1)NC(=O)Cc1c[nH]cn1 ZINC001716176753 1180083884 /nfs/dbraw/zinc/08/38/84/1180083884.db2.gz OYJBAWKLWGIKEP-ZDUSSCGKSA-N 2 0 286.379 1.637 10 0 CDAERP CC(C)C[NH2+]CC[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001716187927 1180089817 /nfs/dbraw/zinc/08/98/17/1180089817.db2.gz UAYUHMKAKGTKBP-KGLIPLIRSA-N 2 0 269.433 1.469 10 0 CDAERP CC[C@@H](F)C[NH2+]C/C=C\CNC(=O)CC1CC[NH+](C)CC1 ZINC001716352296 1180165533 /nfs/dbraw/zinc/16/55/33/1180165533.db2.gz OYHYPWGXKGPEML-FOSCPCJNSA-N 2 0 299.434 1.728 10 0 CDAERP COC[C@@H](C)[NH2+]C/C=C\CNC(=O)C[NH+]1CCC(C)CC1 ZINC001716357536 1180167197 /nfs/dbraw/zinc/16/71/97/1180167197.db2.gz PWQBOVWGAFESEW-FOSCPCJNSA-N 2 0 297.443 1.015 10 0 CDAERP CCCC[NH2+]C[C@@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001716400815 1180186462 /nfs/dbraw/zinc/18/64/62/1180186462.db2.gz QGGVMSCVPDBPDA-CQSZACIVSA-N 2 0 299.459 1.239 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001716449347 1180216940 /nfs/dbraw/zinc/21/69/40/1180216940.db2.gz IZPIJEBIDHIVCO-IHRRRGAJSA-N 2 0 269.433 1.611 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CCF ZINC001716521730 1180265612 /nfs/dbraw/zinc/26/56/12/1180265612.db2.gz LLPMSIYTAIDOFI-ZIAGYGMSSA-N 2 0 287.423 1.562 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C[NH2+]C/C=C/Cl)C1CC1)[NH+](C)C ZINC001716621313 1180310699 /nfs/dbraw/zinc/31/06/99/1180310699.db2.gz JULANOGIVQQNAT-FMQXYTONSA-N 2 0 287.835 1.564 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1CC[C@H](C[NH2+]CCOC)CC1)[NH+](C)C ZINC001717124822 1180536368 /nfs/dbraw/zinc/53/63/68/1180536368.db2.gz CACQFQZJMDNPKV-KKUMJFAQSA-N 2 0 299.459 1.238 10 0 CDAERP CCCC[NH2+][C@H](C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001717434231 1180669815 /nfs/dbraw/zinc/66/98/15/1180669815.db2.gz CZWWCJTWHBTZNZ-CHWSQXEVSA-N 2 0 267.417 1.365 10 0 CDAERP CC[NH2+]CC1(NC(=O)[C@@H](CC)[NH+](C)C)CCCCC1 ZINC001717523956 1180721697 /nfs/dbraw/zinc/72/16/97/1180721697.db2.gz KUVNCOGAZMKTQD-CYBMUJFWSA-N 2 0 269.433 1.755 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@H]2C[C@H](C[NH2+]C/C=C/Cl)C2)CCC1 ZINC001717642111 1180769178 /nfs/dbraw/zinc/76/91/78/1180769178.db2.gz JKUPDPRATOVZNH-BMPTWCBHSA-N 2 0 299.846 1.708 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCF)C1 ZINC001717640692 1180769987 /nfs/dbraw/zinc/76/99/87/1180769987.db2.gz HNWOLNQNWNXURV-MGPQQGTHSA-N 2 0 285.407 1.313 10 0 CDAERP CC[NH+](CC)CCCCNC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000165107904 1180945512 /nfs/dbraw/zinc/94/55/12/1180945512.db2.gz SFAQKZKRTNPGJM-KBPBESRZSA-N 2 0 269.433 1.742 10 0 CDAERP COCCC[NH2+]C1CC(N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001717994375 1180961882 /nfs/dbraw/zinc/96/18/82/1180961882.db2.gz BXBZULFCEWEGCG-UHFFFAOYSA-N 2 0 297.443 1.086 10 0 CDAERP C[C@H](O)C[NH2+]CCCN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001723024076 1181511492 /nfs/dbraw/zinc/51/14/92/1181511492.db2.gz XUZXWWGSQZJHIJ-AWEZNQCLSA-N 2 0 299.459 1.070 10 0 CDAERP CN(CCC[NH2+]CC1CC1)C(=O)C1([NH+](C)C)CCC1 ZINC001723039076 1181513635 /nfs/dbraw/zinc/51/36/35/1181513635.db2.gz PXQYJRMJMMMJBB-UHFFFAOYSA-N 2 0 267.417 1.319 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001724841798 1181770063 /nfs/dbraw/zinc/77/00/63/1181770063.db2.gz IHBGGKAFLBRGHV-CYBMUJFWSA-N 2 0 255.406 1.319 10 0 CDAERP COCCCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001724996684 1181819286 /nfs/dbraw/zinc/81/92/86/1181819286.db2.gz MCSWRTYHLBGVLF-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001725132288 1181877975 /nfs/dbraw/zinc/87/79/75/1181877975.db2.gz WCMIPIPZJRBIDK-UONOGXRCSA-N 2 0 269.433 1.755 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)NCC1=CC[N@@H+](C(C)C)CC1 ZINC001725815932 1182142265 /nfs/dbraw/zinc/14/22/65/1182142265.db2.gz NWWPASXRGNHCHG-OAHLLOKOSA-N 2 0 299.434 1.823 10 0 CDAERP CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001731467346 1182400094 /nfs/dbraw/zinc/40/00/94/1182400094.db2.gz HMZQBHFHXONKSN-KBPBESRZSA-N 2 0 267.417 1.271 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCC1CC1 ZINC001732225143 1182868259 /nfs/dbraw/zinc/86/82/59/1182868259.db2.gz XTDFYEANRMBOCU-KGLIPLIRSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@@H](C[NH2+]CCCF)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001732448072 1182971085 /nfs/dbraw/zinc/97/10/85/1182971085.db2.gz MNRQYSDHMAMHQI-AWEZNQCLSA-N 2 0 287.423 1.514 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001732486231 1182987054 /nfs/dbraw/zinc/98/70/54/1182987054.db2.gz KDUWPMWCTFEPSK-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CCCCCC[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001732598913 1183040145 /nfs/dbraw/zinc/04/01/45/1183040145.db2.gz WQMZYQKETUDSHO-OAHLLOKOSA-N 2 0 283.460 1.909 10 0 CDAERP CC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001732850099 1183157871 /nfs/dbraw/zinc/15/78/71/1183157871.db2.gz PLZRLYHUHNUDPE-LQYUOIDQSA-N 2 0 293.455 1.923 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001733017310 1183240183 /nfs/dbraw/zinc/24/01/83/1183240183.db2.gz IHWRRNQCVVRLLO-AWEZNQCLSA-N 2 0 297.443 1.158 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCCF)CC1 ZINC001733247029 1183367919 /nfs/dbraw/zinc/36/79/19/1183367919.db2.gz FJUDNZLJQAWAOA-GFCCVEGCSA-N 2 0 271.380 1.069 10 0 CDAERP CCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001733528616 1183457212 /nfs/dbraw/zinc/45/72/12/1183457212.db2.gz NSMWYLLKXHFKDN-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP CC/C=C\CC[NH2+]CC1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001733957624 1183584439 /nfs/dbraw/zinc/58/44/39/1183584439.db2.gz DDNZNESHDMXZKR-TURQBRBHSA-N 2 0 293.455 1.779 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001734217166 1183694641 /nfs/dbraw/zinc/69/46/41/1183694641.db2.gz LCFGJLHCASEOIW-SHTZXODSSA-N 2 0 293.455 1.779 10 0 CDAERP CC(C)=CC[NH2+]C1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001734599106 1183841085 /nfs/dbraw/zinc/84/10/85/1183841085.db2.gz QRLZJNJUBRTTQB-UHFFFAOYSA-N 2 0 267.417 1.483 10 0 CDAERP CC[NH+]1CCC(C[NH2+]CCc2cncc(C)n2)CC1 ZINC000402669072 1186446801 /nfs/dbraw/zinc/44/68/01/1186446801.db2.gz RWGVHWVWGRYUMY-UHFFFAOYSA-N 2 0 262.401 1.649 10 0 CDAERP C[NH+]1CCC(CC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000405342932 1186571516 /nfs/dbraw/zinc/57/15/16/1186571516.db2.gz JEGVGVZFPDBHFY-UONOGXRCSA-N 3 0 251.418 1.578 10 0 CDAERP C[C@@H]1CC[C@H]([NH2+]CCCC[NH+](C)C)[C@H](n2cncn2)C1 ZINC000340466898 1164325717 /nfs/dbraw/zinc/32/57/17/1164325717.db2.gz FKIZAJVVNHGXLK-QLFBSQMISA-N 2 0 279.432 1.939 10 0 CDAERP C[NH+](C)CCOCC[NH2+][C@@H](C1CCC1)[C@@H]1CCCO1 ZINC000866349115 1164771254 /nfs/dbraw/zinc/77/12/54/1164771254.db2.gz XUHIEVDPAVBPJF-GJZGRUSLSA-N 2 0 270.417 1.502 10 0 CDAERP CC[C@H](C)[C@H](C)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870021553 1165133348 /nfs/dbraw/zinc/13/33/48/1165133348.db2.gz HJNACDPGYZQOSA-CAOSSQGBSA-N 2 0 297.487 1.866 10 0 CDAERP CC[NH+](CC)CCOCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001632513146 1166354044 /nfs/dbraw/zinc/35/40/44/1166354044.db2.gz UROIDGSCDSMNGS-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N(C)CC2([NH+](C)C)CCC2)CC[N@@H+]1C ZINC000356008215 1167341396 /nfs/dbraw/zinc/34/13/96/1167341396.db2.gz KYSSCDJXIFEOKT-KBPBESRZSA-N 2 0 281.444 1.659 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001566814136 1168037458 /nfs/dbraw/zinc/03/74/58/1168037458.db2.gz ZUJLFHWNMXIBSS-BIQWYFBQSA-N 2 0 281.444 1.896 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CCCCCF)C2)CC[N@@H+]1C ZINC001566765799 1168036395 /nfs/dbraw/zinc/03/63/95/1168036395.db2.gz ALJUHLHZVRVMGU-QLFBSQMISA-N 2 0 299.434 1.657 10 0 CDAERP CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)C(C)C ZINC001565835881 1168055156 /nfs/dbraw/zinc/05/51/56/1168055156.db2.gz WNTJRMXSJRQDBL-CQSZACIVSA-N 2 0 269.433 1.659 10 0 CDAERP CC[N@H+](CCF)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001566555189 1168335799 /nfs/dbraw/zinc/33/57/99/1168335799.db2.gz RMYMEQCWKJEDMU-CYBMUJFWSA-N 2 0 273.396 1.268 10 0 CDAERP CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001483696801 912877776 /nfs/dbraw/zinc/87/77/76/912877776.db2.gz JSFJBKZSPHWZKA-CABCVRRESA-N 2 0 281.444 1.851 10 0 CDAERP CC(C)=CC[NH2+]C1(CNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001483740908 913519618 /nfs/dbraw/zinc/51/96/18/913519618.db2.gz WKIPFSXUJGSKAX-UHFFFAOYSA-N 2 0 279.428 1.675 10 0 CDAERP O[C@@H](C[NH+]1CCCC1)C[NH+]1CCC(C2CCC2)CC1 ZINC000692959447 894173173 /nfs/dbraw/zinc/17/31/73/894173173.db2.gz GWUUZGFNDFLAQR-INIZCTEOSA-N 2 0 266.429 1.955 10 0 CDAERP CCCCC[N@@H+]1CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001266520360 895204123 /nfs/dbraw/zinc/20/41/23/895204123.db2.gz LQAGPJZYSDTFCN-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+]CCCF)C1 ZINC001266733447 895936329 /nfs/dbraw/zinc/93/63/29/895936329.db2.gz SWUMCFLHLSLNSH-OKILXGFUSA-N 2 0 285.407 1.459 10 0 CDAERP CC(C)[C@H](C(=O)N(C)CC[NH2+]CC1CCC1)[NH+](C)C ZINC001567555788 1168852314 /nfs/dbraw/zinc/85/23/14/1168852314.db2.gz DCXYECUPCPTKCL-CQSZACIVSA-N 2 0 269.433 1.421 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1CCC1CC1 ZINC001267272910 897437390 /nfs/dbraw/zinc/43/73/90/897437390.db2.gz AXIHRPUNWPIIKV-AWEZNQCLSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH+](C)CCCF ZINC001480951216 898111148 /nfs/dbraw/zinc/11/11/48/898111148.db2.gz RUOQNSAKPKEOCM-BETUJISGSA-N 2 0 273.396 1.267 10 0 CDAERP CC[C@H](C[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C(C)C)OC ZINC001481070124 898729705 /nfs/dbraw/zinc/72/97/05/898729705.db2.gz GWJRKHXPQRQCGU-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NCCN(C/C=C\Cl)C2CC2)C1 ZINC001481194076 899104809 /nfs/dbraw/zinc/10/48/09/899104809.db2.gz BRFMHYDEKLPRLH-XYRDXQRHSA-N 2 0 299.846 1.661 10 0 CDAERP CC[NH2+]CCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001481245005 899623869 /nfs/dbraw/zinc/62/38/69/899623869.db2.gz CHHZYWXQUPOQEX-QWHCGFSZSA-N 2 0 253.390 1.071 10 0 CDAERP CC[C@@H](C(=O)N(C)CC[NH2+]CC1=CCCCC1)[NH+](C)C ZINC001481304302 900282275 /nfs/dbraw/zinc/28/22/75/900282275.db2.gz PIULKCJFSOIGRQ-HNNXBMFYSA-N 2 0 281.444 1.875 10 0 CDAERP C[C@H]([NH2+]C[C@H]1CC[C@H](C(F)(F)F)O1)C1C[NH2+]C1 ZINC000722391547 901227793 /nfs/dbraw/zinc/22/77/93/901227793.db2.gz LUUKTTHEJZYCIO-FXBDTBDDSA-N 2 0 252.280 1.294 10 0 CDAERP CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CC[N@H+](C)CC ZINC001268197389 901552843 /nfs/dbraw/zinc/55/28/43/901552843.db2.gz XOWSKKXGSBPVRA-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC[C@@H](C)F ZINC001481681777 901782535 /nfs/dbraw/zinc/78/25/35/901782535.db2.gz MMGGWJWZWLJWSK-RDBSUJKOSA-N 2 0 285.407 1.361 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001481728645 901958642 /nfs/dbraw/zinc/95/86/42/901958642.db2.gz YTLOMHJKBSIJKY-KGLIPLIRSA-N 2 0 267.417 1.413 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001482013035 902472773 /nfs/dbraw/zinc/47/27/73/902472773.db2.gz TWDCFRVUOAKRPT-TUVASFSCSA-N 2 0 299.434 1.846 10 0 CDAERP C[C@@H](C[NH2+]CC=C(Cl)Cl)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001268682002 902955052 /nfs/dbraw/zinc/95/50/52/902955052.db2.gz IMMPLZZCGOZSLR-UWVGGRQHSA-N 2 0 294.226 1.494 10 0 CDAERP C[NH+](C)CCC(=O)NCC1([NH2+]Cc2cccc(F)c2)CC1 ZINC001483763823 914688504 /nfs/dbraw/zinc/68/85/04/914688504.db2.gz VCLMGWXVMJFSFF-UHFFFAOYSA-N 2 0 293.386 1.516 10 0 CDAERP CC[NH2+]CCCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001268868603 903195136 /nfs/dbraw/zinc/19/51/36/903195136.db2.gz IYVKUNGWMAXWTA-UHFFFAOYSA-N 2 0 255.406 1.176 10 0 CDAERP CCC[NH2+]C[C@H](NC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001269079072 903406543 /nfs/dbraw/zinc/40/65/43/903406543.db2.gz CQLXKKGDSJTFLF-ZDUSSCGKSA-N 2 0 267.417 1.365 10 0 CDAERP CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001269629341 903993880 /nfs/dbraw/zinc/99/38/80/903993880.db2.gz CWJFPVRQURRRKB-DZGCQCFKSA-N 2 0 267.417 1.365 10 0 CDAERP CC1CC[NH+](CC(=O)N[C@](C)(C[NH2+]CCF)C2CC2)CC1 ZINC001269645704 904004009 /nfs/dbraw/zinc/00/40/09/904004009.db2.gz PHAWEHHTNLFBFM-MRXNPFEDSA-N 2 0 299.434 1.562 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CC[C@H](CC[NH2+]CCF)C2)CC[N@@H+]1C ZINC001280165512 904376067 /nfs/dbraw/zinc/37/60/67/904376067.db2.gz YBFQGFNQPHMNEG-KKUMJFAQSA-N 2 0 299.434 1.514 10 0 CDAERP CC/C=C\CC[NH+]1CC(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001567846536 1169012557 /nfs/dbraw/zinc/01/25/57/1169012557.db2.gz XOCWNHIBMUOSJV-FOSCPCJNSA-N 2 0 293.455 1.733 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCF ZINC001482292041 904673351 /nfs/dbraw/zinc/67/33/51/904673351.db2.gz JCLGSMZCUZIQHX-STQMWFEESA-N 2 0 273.396 1.267 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]CC[C@@H]1CCOC1 ZINC001482369211 905218341 /nfs/dbraw/zinc/21/83/41/905218341.db2.gz LZZXQGILAJSQIU-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP CCC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001271659670 906575576 /nfs/dbraw/zinc/57/55/76/906575576.db2.gz KRTMXPDXSXKNNX-STQMWFEESA-N 2 0 255.406 1.032 10 0 CDAERP CC(C)[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001271660951 906580896 /nfs/dbraw/zinc/58/08/96/906580896.db2.gz VAEKDHPPUXBRHG-STQMWFEESA-N 2 0 255.406 1.031 10 0 CDAERP Cc1ncc(CN(C)CCN(C)C(=O)CC[NH+](C)C)s1 ZINC001482625215 908072926 /nfs/dbraw/zinc/07/29/26/908072926.db2.gz NEFVHIUTITUCRH-UHFFFAOYSA-N 2 0 298.456 1.293 10 0 CDAERP CC[NH2+]CC[C@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001482841980 908418553 /nfs/dbraw/zinc/41/85/53/908418553.db2.gz RLWBSINXPDGETI-QWHCGFSZSA-N 2 0 255.406 1.365 10 0 CDAERP CCC(CC)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001482899589 908466126 /nfs/dbraw/zinc/46/61/26/908466126.db2.gz SCVAYFSKMSZQLA-ZFWWWQNUSA-N 2 0 283.460 1.859 10 0 CDAERP CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc1conc1C)[NH+](C)C ZINC001483059941 909193521 /nfs/dbraw/zinc/19/35/21/909193521.db2.gz AJFMNVDCUVVYIL-AFNCTOJWSA-N 2 0 294.399 1.085 10 0 CDAERP CC(C)[NH2+]C/C=C/CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001483097346 909337022 /nfs/dbraw/zinc/33/70/22/909337022.db2.gz JLVGPKHEFRSUAD-DLPZHFSESA-N 2 0 267.417 1.530 10 0 CDAERP CC(C)[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001507034623 909870745 /nfs/dbraw/zinc/87/07/45/909870745.db2.gz SSXPMFUNSLSQKQ-ZFWWWQNUSA-N 2 0 281.444 1.563 10 0 CDAERP C[C@@H](C[N@H+](C)CC1CC1)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001483339030 910929516 /nfs/dbraw/zinc/92/95/16/910929516.db2.gz BROCLFTXRMJECO-OUCADQQQSA-N 2 0 267.417 1.173 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H](C)CN(C)Cc1ocnc1C ZINC001483403390 911060803 /nfs/dbraw/zinc/06/08/03/911060803.db2.gz JTYGLWOTZNEECB-LBPRGKRZSA-N 2 0 296.415 1.261 10 0 CDAERP C[C@@H](C[N@H+](C)CC1CC(C)(C)C1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001483417507 911088410 /nfs/dbraw/zinc/08/84/10/911088410.db2.gz LROBPVJERDFPAU-ZFWWWQNUSA-N 2 0 295.471 1.811 10 0 CDAERP C[C@@H](O)CCC[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001483485994 911180816 /nfs/dbraw/zinc/18/08/16/911180816.db2.gz QREKOBWVJLLDRN-CABCVRRESA-N 2 0 299.459 1.070 10 0 CDAERP CCOCC[NH2+]C1(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001483794454 915073385 /nfs/dbraw/zinc/07/33/85/915073385.db2.gz UOABWIXABUYQCM-KBPBESRZSA-N 2 0 297.443 1.134 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]C/C=C/Cl)CCN1C(=O)CC[NH+](C)C ZINC001483907571 915203797 /nfs/dbraw/zinc/20/37/97/915203797.db2.gz CNRQTLCECAXWOC-GPEUJJIWSA-N 2 0 287.835 1.660 10 0 CDAERP CCC[NH2+][C@@]1(CO)CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001484857563 916209395 /nfs/dbraw/zinc/20/93/95/916209395.db2.gz VGQVHCXXJOMSNF-INIZCTEOSA-N 2 0 299.459 1.071 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1C/C=C/Cl ZINC001484980524 916353995 /nfs/dbraw/zinc/35/39/95/916353995.db2.gz HCHYFBWHPCAOIX-SXQWRXASSA-N 2 0 287.835 1.660 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001485085118 916479375 /nfs/dbraw/zinc/47/93/75/916479375.db2.gz YZMROZKNASCGLD-HZPDHXFCSA-N 2 0 295.471 1.907 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH+](C)CC)CC[N@@H+]1C ZINC001485307440 916824349 /nfs/dbraw/zinc/82/43/49/916824349.db2.gz QOZNELYHBXLKRI-RWMBFGLXSA-N 2 0 255.406 1.173 10 0 CDAERP CC(C)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001485578081 917107370 /nfs/dbraw/zinc/10/73/70/917107370.db2.gz UIQORXAPAALFSC-CYBMUJFWSA-N 2 0 269.433 1.421 10 0 CDAERP CC(C)[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCF ZINC001485792808 917296960 /nfs/dbraw/zinc/29/69/60/917296960.db2.gz QSPUETSHKCISAE-QWHCGFSZSA-N 2 0 273.396 1.028 10 0 CDAERP Cc1nc(C)c(C[NH2+][C@@H](C)CN(C)C(=O)CC[NH+](C)C)o1 ZINC001485919422 920575330 /nfs/dbraw/zinc/57/53/30/920575330.db2.gz MCNDLDVONSVRCX-NSHDSACASA-N 2 0 296.415 1.180 10 0 CDAERP CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1(C)C ZINC001486234860 920852213 /nfs/dbraw/zinc/85/22/13/920852213.db2.gz YOVVMYALGMMQHJ-RBSFLKMASA-N 2 0 295.471 1.953 10 0 CDAERP CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001490958093 936835573 /nfs/dbraw/zinc/83/55/73/936835573.db2.gz NWWBCXQNEONNHS-KKUMJFAQSA-N 2 0 281.444 1.754 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001491055436 936848222 /nfs/dbraw/zinc/84/82/22/936848222.db2.gz NUJQUJGFEZFSOC-RQJABVFESA-N 2 0 285.407 1.313 10 0 CDAERP CCCCC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923497697 923881566 /nfs/dbraw/zinc/88/15/66/923881566.db2.gz CIJVREVYXQSNDW-QLFBSQMISA-N 2 0 283.460 1.988 10 0 CDAERP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]CC[C@H]1CCCO1 ZINC001410518997 925867153 /nfs/dbraw/zinc/86/71/53/925867153.db2.gz XPIDUORUQWDTOC-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC(C)C)[NH+](C)C ZINC001488637121 926632148 /nfs/dbraw/zinc/63/21/48/926632148.db2.gz DEAJFMRJQRAJDA-LSDHHAIUSA-N 2 0 283.460 1.905 10 0 CDAERP CC(C)OCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001488689262 926649280 /nfs/dbraw/zinc/64/92/80/926649280.db2.gz KUTBZNYCLYEICL-OAHLLOKOSA-N 2 0 297.443 1.040 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CCCCCF)C1 ZINC001324278329 926813080 /nfs/dbraw/zinc/81/30/80/926813080.db2.gz UOGPSJDNUPQHEH-HUUCEWRRSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001489286459 926856238 /nfs/dbraw/zinc/85/62/38/926856238.db2.gz JTXBACWLRLVJFL-KGLIPLIRSA-N 2 0 269.433 1.563 10 0 CDAERP CC[C@H](C)C[N@H+](CC)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001490341656 927133480 /nfs/dbraw/zinc/13/34/80/927133480.db2.gz SCDVIYPLOQDRRJ-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@H](C[NH2+]CCCN(C)C(=O)C1CC[NH+](C)CC1)OC ZINC001276208820 932642856 /nfs/dbraw/zinc/64/28/56/932642856.db2.gz JKAOXFFOHPRJNK-OAHLLOKOSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)N[C@H]1CC[NH2+]C12CCC2 ZINC000925538077 932901959 /nfs/dbraw/zinc/90/19/59/932901959.db2.gz QRFWGEJZGOMIMO-KBPBESRZSA-N 2 0 251.418 1.735 10 0 CDAERP Cc1cnc(CONC(=[NH2+])[C@H]2CN(C(C)C)CCO2)o1 ZINC000779655843 934660682 /nfs/dbraw/zinc/66/06/82/934660682.db2.gz WAQIOEZASZQUCQ-LLVKDONJSA-N 2 0 282.344 1.091 10 0 CDAERP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C1([NH+](C)C)CCCC1 ZINC001412931099 935097982 /nfs/dbraw/zinc/09/79/82/935097982.db2.gz RLZWGCGOFAUVGD-LSDHHAIUSA-N 2 0 293.455 1.946 10 0 CDAERP CC[C@H](CO)[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001413091211 935897798 /nfs/dbraw/zinc/89/77/98/935897798.db2.gz RQDUFIOPZIXIMT-CQSZACIVSA-N 2 0 270.417 1.070 10 0 CDAERP c1cc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc[nH+]1 ZINC001120779408 937835618 /nfs/dbraw/zinc/83/56/18/937835618.db2.gz HAWGOYYYMIROIZ-UHFFFAOYSA-N 3 0 297.406 1.523 10 0 CDAERP [NH3+][C@H]1C[C@H](NCCC[NH+]2CCCCC2)C12CCC2 ZINC000405354778 940984930 /nfs/dbraw/zinc/98/49/30/940984930.db2.gz QICWZNNMPBZXRV-KBPBESRZSA-N 2 0 251.418 1.722 10 0 CDAERP CC[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1[NH2+]CCCF ZINC001276772516 941041335 /nfs/dbraw/zinc/04/13/35/941041335.db2.gz OYGJIPJOGPLMKS-HUUCEWRRSA-N 2 0 299.434 1.659 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC2CC[NH+](C)CC2)C1 ZINC001362013948 970775311 /nfs/dbraw/zinc/77/53/11/970775311.db2.gz ZLZSFLXVEBVQJJ-CABCVRRESA-N 2 0 281.444 1.565 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CCCC1 ZINC001362058364 970830084 /nfs/dbraw/zinc/83/00/84/970830084.db2.gz LDBXLTGQJGKVLK-ZIAGYGMSSA-N 2 0 279.428 1.604 10 0 CDAERP O[C@@H](C[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1)C1CC1 ZINC001473875877 970871257 /nfs/dbraw/zinc/87/12/57/970871257.db2.gz BVDMJDOFDKMHPP-HNNXBMFYSA-N 2 0 282.428 1.070 10 0 CDAERP CO[C@@H]1CC[C@@H]([NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC001332420943 942409166 /nfs/dbraw/zinc/40/91/66/942409166.db2.gz NTZFYQXYIZFLRA-XGFWRYKXSA-N 2 0 252.402 1.920 10 0 CDAERP CC[C@H](C(=O)N(CC)CC[NH2+]C[C@H]1CCCCO1)[NH+](C)C ZINC001568791636 1169477116 /nfs/dbraw/zinc/47/71/16/1169477116.db2.gz OUAVXXWZGGRELO-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001282206300 942678279 /nfs/dbraw/zinc/67/82/79/942678279.db2.gz KDSSAQIRDXUEFB-UONOGXRCSA-N 2 0 269.433 1.611 10 0 CDAERP CC[NH2+][C@H]1C[C@@H](CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001316622449 942756906 /nfs/dbraw/zinc/75/69/06/942756906.db2.gz AJVSMCSULLRRBK-SYQHCUMBSA-N 2 0 267.417 1.364 10 0 CDAERP C[C@H](CCC[NH2+]CC1CCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001283262134 942867941 /nfs/dbraw/zinc/86/79/41/942867941.db2.gz UINZGESKFNQDLH-CQSZACIVSA-N 2 0 293.455 1.757 10 0 CDAERP C[C@H](CN(C)C(=O)C1([NH+](C)C)CCC1)[NH2+]CCCF ZINC001283621065 942951659 /nfs/dbraw/zinc/95/16/59/942951659.db2.gz HPZRPOBEDNKMQD-GFCCVEGCSA-N 2 0 273.396 1.267 10 0 CDAERP CC(C)OCCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001283714444 942976450 /nfs/dbraw/zinc/97/64/50/942976450.db2.gz MTXSLBGDFNINBE-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001284247801 943130111 /nfs/dbraw/zinc/13/01/11/943130111.db2.gz RBBGDNRWHYUCFU-ZIAGYGMSSA-N 2 0 267.417 1.367 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CC=C(C)C)C1 ZINC001264408731 944128702 /nfs/dbraw/zinc/12/87/02/944128702.db2.gz TWEODLQSIBPXAB-GASCZTMLSA-N 2 0 281.444 1.779 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001264441085 944136481 /nfs/dbraw/zinc/13/64/81/944136481.db2.gz XKTMDOHMRIARPU-SHTZXODSSA-N 2 0 281.444 1.777 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001265303117 944335510 /nfs/dbraw/zinc/33/55/10/944335510.db2.gz BLIOAUSOCCNGQG-SGFLJFKBSA-N 2 0 293.455 1.875 10 0 CDAERP CC(C)C[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001265380218 944367021 /nfs/dbraw/zinc/36/70/21/944367021.db2.gz KLJFUEQSVQZUCG-ZIAGYGMSSA-N 2 0 267.417 1.079 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001265476517 944402917 /nfs/dbraw/zinc/40/29/17/944402917.db2.gz HAKVTMSMXCSRCT-RBSFLKMASA-N 2 0 281.444 1.896 10 0 CDAERP COCCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001265705071 944476234 /nfs/dbraw/zinc/47/62/34/944476234.db2.gz DQIBHZJIULGGAX-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)=CC[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001265875059 944552279 /nfs/dbraw/zinc/55/22/79/944552279.db2.gz VIQZZQJYGLLANU-HNNXBMFYSA-N 2 0 281.444 1.875 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)CC1CC1 ZINC001266028035 944640697 /nfs/dbraw/zinc/64/06/97/944640697.db2.gz GULTYPWOTGWENT-AWEZNQCLSA-N 2 0 267.417 1.319 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCCF)C1 ZINC001266067455 944661478 /nfs/dbraw/zinc/66/14/78/944661478.db2.gz LFSHOCQWTWMUER-CHWSQXEVSA-N 2 0 273.396 1.315 10 0 CDAERP CC(C)=CC[N@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001266236473 944775884 /nfs/dbraw/zinc/77/58/84/944775884.db2.gz IZWNSAGUVNEQBM-OAHLLOKOSA-N 2 0 281.444 1.875 10 0 CDAERP CC(C)=CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H]1C ZINC001278325064 946165080 /nfs/dbraw/zinc/16/50/80/946165080.db2.gz HKVTVYVQRQTHJC-CABCVRRESA-N 2 0 279.428 1.627 10 0 CDAERP CCC[N@H+](C)CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001479799759 971426195 /nfs/dbraw/zinc/42/61/95/971426195.db2.gz BCMWZKDNLVZHON-UHFFFAOYSA-N 2 0 269.433 1.566 10 0 CDAERP CCC[NH2+]C[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C ZINC001278995092 948539584 /nfs/dbraw/zinc/53/95/84/948539584.db2.gz AFMXEWLDNNFILW-ZDUSSCGKSA-N 2 0 271.449 1.859 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001480089295 971571726 /nfs/dbraw/zinc/57/17/26/971571726.db2.gz JCCVAGPLAKOHAX-OAHLLOKOSA-N 2 0 283.460 1.907 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001480138609 971598083 /nfs/dbraw/zinc/59/80/83/971598083.db2.gz IZDUJEJZTLKOJC-CYUUQNCZSA-N 2 0 297.418 1.313 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001480187836 971617311 /nfs/dbraw/zinc/61/73/11/971617311.db2.gz DWGHFQHCLRLRIY-HOTGVXAUSA-N 2 0 295.471 1.907 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001362789905 971620697 /nfs/dbraw/zinc/62/06/97/971620697.db2.gz XUQOWOUQLWGMMS-KKUMJFAQSA-N 2 0 283.460 1.952 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CCCC1 ZINC001362875422 971685463 /nfs/dbraw/zinc/68/54/63/971685463.db2.gz VXYSJGMEIHUUHE-CABCVRRESA-N 2 0 293.455 1.994 10 0 CDAERP Cc1conc1C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001480753831 971863403 /nfs/dbraw/zinc/86/34/03/971863403.db2.gz LYWJZNZJRKCFRJ-OCCSQVGLSA-N 2 0 294.399 1.062 10 0 CDAERP C[NH+](C)[C@@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCCC2)C1(C)C ZINC001363119354 971903790 /nfs/dbraw/zinc/90/37/90/971903790.db2.gz MONHNRZGYURNJX-CHWSQXEVSA-N 2 0 281.444 1.706 10 0 CDAERP COCCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001324640652 953489852 /nfs/dbraw/zinc/48/98/52/953489852.db2.gz FAGPDZQJKFWMAG-HOCLYGCPSA-N 2 0 297.443 1.088 10 0 CDAERP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@H](O)C(C)(C)O)cc1 ZINC001363218689 971989357 /nfs/dbraw/zinc/98/93/57/971989357.db2.gz WISJTEOMSBWTGL-HNNXBMFYSA-N 2 0 280.412 1.312 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H](C)CC[NH+](C)C)C(C)C ZINC001292978352 954280501 /nfs/dbraw/zinc/28/05/01/954280501.db2.gz RYTKWYTVSQTUQQ-CYBMUJFWSA-N 2 0 257.422 1.421 10 0 CDAERP C[NH2+]Cc1ccc(NC(=O)[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC001326291863 954304520 /nfs/dbraw/zinc/30/45/20/954304520.db2.gz DZDQFEWAIMLMPO-UONOGXRCSA-N 2 0 261.369 1.862 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCCN(CCF)C2CC2)C1 ZINC001493434958 972048502 /nfs/dbraw/zinc/04/85/02/972048502.db2.gz FPMVPRBDVDHZAY-ZFWWWQNUSA-N 2 0 299.434 1.657 10 0 CDAERP C[NH+](C)CC[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001364775285 955160145 /nfs/dbraw/zinc/16/01/45/955160145.db2.gz CQLVYLSFTWGERS-AWEZNQCLSA-N 2 0 279.428 1.415 10 0 CDAERP CC(C)=CC[NH2+][C@H]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001491887443 955493357 /nfs/dbraw/zinc/49/33/57/955493357.db2.gz YDECCDBCOPWPAZ-LSDHHAIUSA-N 2 0 281.444 1.921 10 0 CDAERP CC[NH2+][C@H]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001491897670 955497232 /nfs/dbraw/zinc/49/72/32/955497232.db2.gz ZIYTZUCSECLGNC-STQMWFEESA-N 2 0 255.406 1.364 10 0 CDAERP C[N@@H+]1C[C@@]2(C)CN(C(=O)CC[NH+]3CC[C@H](F)C3)C[C@@]2(C)C1 ZINC001363347500 972104366 /nfs/dbraw/zinc/10/43/66/972104366.db2.gz QVFNNIWUKDJAQX-CWRNSKLLSA-N 2 0 297.418 1.221 10 0 CDAERP CC[C@H](C)C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCC1 ZINC001421790753 955548657 /nfs/dbraw/zinc/54/86/57/955548657.db2.gz YIPYQUOEKDTZDM-AWEZNQCLSA-N 2 0 281.444 1.757 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1CCC[N@H+](CC)CC1 ZINC001421820157 955568484 /nfs/dbraw/zinc/56/84/84/955568484.db2.gz AVVNOMQHKRSDRQ-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP CC[C@@H](C(=O)N(C)CC[NH2+]CCC1CC1)[NH+](C)C ZINC001493764342 972112097 /nfs/dbraw/zinc/11/20/97/972112097.db2.gz SEHTVDZFNDRVBF-ZDUSSCGKSA-N 2 0 255.406 1.175 10 0 CDAERP CN(CC[N@H+](C)CCCF)C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001422172922 955811974 /nfs/dbraw/zinc/81/19/74/955811974.db2.gz CBFMSWATAGQSPR-CABCVRRESA-N 2 0 299.434 1.753 10 0 CDAERP C[C@@H]([NH2+]CC=C(Cl)Cl)[C@H](C)NC(=O)CC[NH+](C)C ZINC001422393444 955978841 /nfs/dbraw/zinc/97/88/41/955978841.db2.gz TXMRHKAFLFZNRJ-ZJUUUORDSA-N 2 0 296.242 1.740 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CCCC(C)(C)C ZINC001317263434 956001937 /nfs/dbraw/zinc/00/19/37/956001937.db2.gz DLQPRSFHAUDKLO-CYBMUJFWSA-N 2 0 271.449 1.859 10 0 CDAERP C[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)[C@H](C)[NH2+]CCF ZINC001422448086 956012448 /nfs/dbraw/zinc/01/24/48/956012448.db2.gz MBBFPBPEDCXJGP-QWHCGFSZSA-N 2 0 295.402 1.814 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C2([NH3+])CCC2)C1 ZINC001329652276 956045505 /nfs/dbraw/zinc/04/55/05/956045505.db2.gz VQDZAQSZGBMLFB-ZDUSSCGKSA-N 2 0 253.390 1.091 10 0 CDAERP CC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC001422665612 956241670 /nfs/dbraw/zinc/24/16/70/956241670.db2.gz YNNJCJJEMUDMTC-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@H](NC(=O)CC[NH+](C)C)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC001422727208 956294396 /nfs/dbraw/zinc/29/43/96/956294396.db2.gz AWOQDTPJWUINPZ-ZDUSSCGKSA-N 2 0 295.471 1.811 10 0 CDAERP CC[C@H](C)C[NH+]1CC([C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001422729167 956294818 /nfs/dbraw/zinc/29/48/18/956294818.db2.gz GJRAWGBYXKKGKO-UONOGXRCSA-N 2 0 295.471 1.811 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H]1CN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001365793982 956368340 /nfs/dbraw/zinc/36/83/40/956368340.db2.gz GEWWSVDIECDAMG-CQSZACIVSA-N 2 0 297.443 1.038 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N(C)C[C@@H]2CC[NH+]2CC2CCC2)C1 ZINC001365797505 956368493 /nfs/dbraw/zinc/36/84/93/956368493.db2.gz XJRBOBGTOTUIMO-HOCLYGCPSA-N 2 0 293.455 1.661 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001365801211 956376325 /nfs/dbraw/zinc/37/63/25/956376325.db2.gz HJNXAAHMCMOVDH-HZPDHXFCSA-N 2 0 295.471 1.907 10 0 CDAERP CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)[C@H]21 ZINC001365878304 956419671 /nfs/dbraw/zinc/41/96/71/956419671.db2.gz UKSAELNDHYFSON-YUELXQCFSA-N 2 0 281.444 1.563 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CCC(C)C)[C@@H]1C)[NH+](C)C ZINC001365889779 956423211 /nfs/dbraw/zinc/42/32/11/956423211.db2.gz PWWLOTPOVYEPGP-QLFBSQMISA-N 2 0 283.460 1.952 10 0 CDAERP CC(C)C[N@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001494179033 972195091 /nfs/dbraw/zinc/19/50/91/972195091.db2.gz OYNHHHJDWIJCKW-OAHLLOKOSA-N 2 0 283.460 1.763 10 0 CDAERP C[C@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CCC1CC1 ZINC001423146816 956625169 /nfs/dbraw/zinc/62/51/69/956625169.db2.gz JNJXDJYGEWFBPC-HIFRSBDPSA-N 2 0 281.444 1.565 10 0 CDAERP CCC[NH2+]CCC[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001330823383 956652127 /nfs/dbraw/zinc/65/21/27/956652127.db2.gz WCNKZHKCMWJHSJ-ZFWWWQNUSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CC1CC1 ZINC001366293864 956717587 /nfs/dbraw/zinc/71/75/87/956717587.db2.gz AFSWZVVGXBFUMT-DZGCQCFKSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC1CC2(CCC2)C1 ZINC001366360608 956770233 /nfs/dbraw/zinc/77/02/33/956770233.db2.gz VGAYRGXVLYTVJJ-AWEZNQCLSA-N 2 0 293.455 1.757 10 0 CDAERP Cc1cc(C[NH2+][C@H](C)CNC(=O)C[N@H+](C)C(C)C)sn1 ZINC001366369810 956774123 /nfs/dbraw/zinc/77/41/23/956774123.db2.gz UVLHEWWNOHNSBO-GFCCVEGCSA-N 2 0 298.456 1.386 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCCNC(=O)[C@@H]1CN(CC)CCO1 ZINC001316866351 956794106 /nfs/dbraw/zinc/79/41/06/956794106.db2.gz LZFRSMCCGOBNOX-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001423472972 956798504 /nfs/dbraw/zinc/79/85/04/956798504.db2.gz DZSIYRODMMOJRQ-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CC[NH2+]CCCOCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001331236206 956906857 /nfs/dbraw/zinc/90/68/57/956906857.db2.gz ASJVCYZHXJXGJN-GJZGRUSLSA-N 2 0 297.443 1.136 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CC[C@H](C)F)C1)[NH+](C)C ZINC001424442497 957237498 /nfs/dbraw/zinc/23/74/98/957237498.db2.gz VFFSPLVWLMFEHD-BFHYXJOUSA-N 2 0 287.423 1.655 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001317094018 957265537 /nfs/dbraw/zinc/26/55/37/957265537.db2.gz WKPWJAFEGMCARM-HDJSIYSDSA-N 2 0 269.433 1.610 10 0 CDAERP CC(C)[NH2+]CC1CC(NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001424737091 957326480 /nfs/dbraw/zinc/32/64/80/957326480.db2.gz XMDIBCZYFKBNSI-GPANFISMSA-N 2 0 295.471 2.000 10 0 CDAERP CC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001424782957 957354991 /nfs/dbraw/zinc/35/49/91/957354991.db2.gz GPMSASSBHCJMHZ-WDEREUQCSA-N 2 0 274.368 1.759 10 0 CDAERP CC/C=C/CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001317261335 957387055 /nfs/dbraw/zinc/38/70/55/957387055.db2.gz HAXIQSSXEVETFR-MUHKLVGJSA-N 2 0 281.444 1.921 10 0 CDAERP CC(C)OCC[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001425011460 957443466 /nfs/dbraw/zinc/44/34/66/957443466.db2.gz NJCXLTMWWBOSTC-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CC3CC3)CC2(C)C)CC1 ZINC001425303387 957510643 /nfs/dbraw/zinc/51/06/43/957510643.db2.gz IBTDOYLWTWTZQX-CQSZACIVSA-N 2 0 293.455 1.565 10 0 CDAERP CC(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001425374733 957522346 /nfs/dbraw/zinc/52/23/46/957522346.db2.gz UTCIMQBZKLPHPD-ARFHVFGLSA-N 2 0 295.471 1.811 10 0 CDAERP CC[C@H](C(=O)N(C)CC[NH2+]Cc1cnc(C)s1)[NH+](C)C ZINC001317598422 957590263 /nfs/dbraw/zinc/59/02/63/957590263.db2.gz HTOIUINVVLANQM-CYBMUJFWSA-N 2 0 298.456 1.340 10 0 CDAERP CN(CC[NH2+]CC[C@@H]1CCCO1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001317600686 957591954 /nfs/dbraw/zinc/59/19/54/957591954.db2.gz MCKSASDNYCMYHV-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@@H]1[C@H]([NH2+]CCC(C)(C)C)CCN1C(=O)CC[NH+](C)C ZINC001425881434 957632751 /nfs/dbraw/zinc/63/27/51/957632751.db2.gz KFHDGSZGUCSARU-ZIAGYGMSSA-N 2 0 283.460 1.953 10 0 CDAERP CC[N@@H+]1CC[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001317811491 957667151 /nfs/dbraw/zinc/66/71/51/957667151.db2.gz MYLIIVUNIQGWMR-ZDUSSCGKSA-N 2 0 255.406 1.175 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH2+]Cc1ccsc1 ZINC001367234207 957866834 /nfs/dbraw/zinc/86/68/34/957866834.db2.gz NKTDHCNMUHEQHA-JSGCOSHPSA-N 2 0 295.452 1.684 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]CC1CC1)[NH+]1CCCC1 ZINC001367774177 958325516 /nfs/dbraw/zinc/32/55/16/958325516.db2.gz IGXAEPNQGRBIQM-ZFWWWQNUSA-N 2 0 281.444 1.611 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH2+]CC3CCC3)CC2)C1 ZINC001368034694 958593328 /nfs/dbraw/zinc/59/33/28/958593328.db2.gz DLDZZQMLQYGXGZ-AWEZNQCLSA-N 2 0 279.428 1.367 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC([NH+](CC)CCOC)CC1 ZINC001368053440 958603731 /nfs/dbraw/zinc/60/37/31/958603731.db2.gz UTNZYBHNSFWTPM-UHFFFAOYSA-N 2 0 299.459 1.288 10 0 CDAERP CC(C)C[C@@H](C[NH2+]CCF)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001319609656 958653311 /nfs/dbraw/zinc/65/33/11/958653311.db2.gz NLVMISYWFXDKCG-HZSPNIEDSA-N 2 0 287.423 1.417 10 0 CDAERP CC[C@H](C(=O)N1CCCC[C@@H]1CC[NH2+]CCCO)[NH+](C)C ZINC001319768804 958718677 /nfs/dbraw/zinc/71/86/77/958718677.db2.gz WNQPEZYATWGTAB-HUUCEWRRSA-N 2 0 299.459 1.070 10 0 CDAERP CC[NH2+]CC[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001319790343 958727479 /nfs/dbraw/zinc/72/74/79/958727479.db2.gz FKFXGXOCTFJAOG-CQSZACIVSA-N 2 0 267.417 1.463 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001368428967 958836807 /nfs/dbraw/zinc/83/68/07/958836807.db2.gz GCCUIYOAGUYVNI-CABCVRRESA-N 2 0 281.444 1.517 10 0 CDAERP COc1ccc(CC[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)cn1 ZINC001334390562 959078004 /nfs/dbraw/zinc/07/80/04/959078004.db2.gz NLYIUTTZUXVWKP-OLZOCXBDSA-N 2 0 261.369 1.492 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccccn1 ZINC001371183863 972410413 /nfs/dbraw/zinc/41/04/13/972410413.db2.gz FJCJBAPSBIHHBV-GZBFAFLISA-N 2 0 290.411 1.016 10 0 CDAERP CC[C@H](F)C[N@H+](C)[C@@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001368953908 959322482 /nfs/dbraw/zinc/32/24/82/959322482.db2.gz MJPPFHIVFZWBPT-STQMWFEESA-N 2 0 287.423 1.655 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[NH+]1CCCC1 ZINC001369220607 959539348 /nfs/dbraw/zinc/53/93/48/959539348.db2.gz JBWKLCQVNKKMAS-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001369233858 959557994 /nfs/dbraw/zinc/55/79/94/959557994.db2.gz WQVBLBGUGAXHBV-HOCLYGCPSA-N 2 0 295.471 1.811 10 0 CDAERP O=C(NC/C=C/C[NH2+]C/C=C\Cl)C12CCC[NH+]1CCC2 ZINC001321141073 959616434 /nfs/dbraw/zinc/61/64/34/959616434.db2.gz KGCLCQBKJLIWBO-VTCCBETESA-N 2 0 297.830 1.629 10 0 CDAERP Cc1nocc1C[NH2+]C1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001369574121 959770495 /nfs/dbraw/zinc/77/04/95/959770495.db2.gz KTTIBVJURHVEGV-UHFFFAOYSA-N 2 0 294.399 1.014 10 0 CDAERP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)CC[NH+](C)C)C2)cs1 ZINC001370011235 959956003 /nfs/dbraw/zinc/95/60/03/959956003.db2.gz CLHORKMBRMKDON-CQSZACIVSA-N 2 0 295.452 1.699 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]([NH2+]Cc1ccccn1)C1CC1 ZINC001370213862 960024289 /nfs/dbraw/zinc/02/42/89/960024289.db2.gz LMOCTFNFXZLQBD-OAHLLOKOSA-N 2 0 290.411 1.018 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001370502489 960132939 /nfs/dbraw/zinc/13/29/39/960132939.db2.gz UYXVRHNEQIBRQW-FDYHWXHSSA-N 2 0 271.380 1.066 10 0 CDAERP CC(C)CC[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001322568915 960264681 /nfs/dbraw/zinc/26/46/81/960264681.db2.gz IZCYGBSXCQNFME-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCC2CC2)CC1 ZINC001433419355 960319991 /nfs/dbraw/zinc/31/99/91/960319991.db2.gz IOEHWIUBOPKTJM-INIZCTEOSA-N 2 0 293.455 1.804 10 0 CDAERP CC[C@@H](C)C[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001433433791 960327603 /nfs/dbraw/zinc/32/76/03/960327603.db2.gz ZLVCUBLHTIFLPV-HUUCEWRRSA-N 2 0 281.444 1.661 10 0 CDAERP C[C@@H]([NH2+]CCNC(=O)C1CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001559737013 960805468 /nfs/dbraw/zinc/80/54/68/960805468.db2.gz FHRNVXLYNCLUSC-UKRRQHHQSA-N 2 0 293.455 1.755 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC001433970171 960828031 /nfs/dbraw/zinc/82/80/31/960828031.db2.gz SLOAKKNYVUHHOP-DZGCQCFKSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[NH2+][C@H]1C[C@@H](CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001418645786 960843480 /nfs/dbraw/zinc/84/34/80/960843480.db2.gz IGTYZSQEAKWTRJ-ZQDZILKHSA-N 2 0 281.444 1.752 10 0 CDAERP C[C@@H](C(=O)NC[C@H]1CC[N@H+](CCF)C1)[NH+]1CCCCCC1 ZINC001418682675 960902404 /nfs/dbraw/zinc/90/24/04/960902404.db2.gz IZVDPCSPZWBJGG-LSDHHAIUSA-N 2 0 299.434 1.659 10 0 CDAERP CCCC[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001418942234 961177798 /nfs/dbraw/zinc/17/77/98/961177798.db2.gz KTJAWMJMPHSFIR-HNNXBMFYSA-N 2 0 281.444 1.663 10 0 CDAERP CC(C)[C@H](C(=O)N1CCC[C@H]1C[NH2+]CCCF)[NH+](C)C ZINC001324264123 961268827 /nfs/dbraw/zinc/26/88/27/961268827.db2.gz QWIWNOTWHJRLGY-UONOGXRCSA-N 2 0 287.423 1.513 10 0 CDAERP C[C@@H](F)CC[NH+]1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001419029669 961279924 /nfs/dbraw/zinc/27/99/24/961279924.db2.gz KRLWOJJUILGEJZ-GFCCVEGCSA-N 2 0 285.407 1.124 10 0 CDAERP c1cc(N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)cc[nH+]1 ZINC001337710262 961374942 /nfs/dbraw/zinc/37/49/42/961374942.db2.gz SISAUECCTCILQJ-LSDHHAIUSA-N 2 0 261.369 1.559 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001419373546 961638350 /nfs/dbraw/zinc/63/83/50/961638350.db2.gz UKDXLEZYWIGENO-KBUPBQIOSA-N 2 0 299.434 1.846 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1([NH2+]CCF)CCCC1 ZINC001419610880 961868982 /nfs/dbraw/zinc/86/89/82/961868982.db2.gz AXKUNENLWAFIGH-CQSZACIVSA-N 2 0 299.434 1.849 10 0 CDAERP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CCC1CC1 ZINC001419831055 962139568 /nfs/dbraw/zinc/13/95/68/962139568.db2.gz SGOJVVXNMGUDAS-ZDUSSCGKSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[NH2+]CCF ZINC001419877699 962193054 /nfs/dbraw/zinc/19/30/54/962193054.db2.gz CXOJOCIXEHRWJW-KBPBESRZSA-N 2 0 287.423 1.559 10 0 CDAERP CC[C@@H](C(=O)N1CCCC[C@H]1C[N@H+](C)CCOC)[NH+](C)C ZINC001436497081 962286284 /nfs/dbraw/zinc/28/62/84/962286284.db2.gz ZWDXAEDUIRXGJM-GJZGRUSLSA-N 2 0 299.459 1.286 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+](C)CC2CC2)CC[N@@H+]1C ZINC001419968194 962306603 /nfs/dbraw/zinc/30/66/03/962306603.db2.gz VPXFTEXFMREFHW-LSDHHAIUSA-N 2 0 281.444 1.517 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001436906061 962491739 /nfs/dbraw/zinc/49/17/39/962491739.db2.gz WQECJNMLNNPEEM-SHTZXODSSA-N 2 0 293.455 1.898 10 0 CDAERP CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+]CCF)[NH+]1CCCC1 ZINC001420164855 962512852 /nfs/dbraw/zinc/51/28/52/962512852.db2.gz LCPCAEOPHUYSMS-UONOGXRCSA-N 2 0 287.423 1.561 10 0 CDAERP CCC(CC)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001436978692 962538689 /nfs/dbraw/zinc/53/86/89/962538689.db2.gz NUUIBGSVUWBEKR-SOUVJXGZSA-N 2 0 281.444 1.611 10 0 CDAERP CC[C@@H](C[NH2+]C[C@@H]1CCCCN1C(=O)CC[NH+](C)C)OC ZINC001437050347 962581267 /nfs/dbraw/zinc/58/12/67/962581267.db2.gz NVLMZGYKYSYRMJ-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCC[NH+]2CC2CCC2)C1 ZINC001420493846 962976831 /nfs/dbraw/zinc/97/68/31/962976831.db2.gz MUMGJDQLCWXRPT-CVEARBPZSA-N 2 0 293.455 1.709 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001437515677 962980908 /nfs/dbraw/zinc/98/09/08/962980908.db2.gz IKGRANDAMLSZGJ-GFCCVEGCSA-N 2 0 273.396 1.124 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001420538344 963029957 /nfs/dbraw/zinc/02/99/57/963029957.db2.gz ZMEPLDLFRFXWFC-KGLIPLIRSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)[NH2+][C@H](CNC(=O)CC[NH+](C)C)c1ccccc1 ZINC001420777696 963234159 /nfs/dbraw/zinc/23/41/59/963234159.db2.gz QRDCWXHAQLKBSG-OAHLLOKOSA-N 2 0 277.412 1.794 10 0 CDAERP O=C(NCC[C@@H]1CC[N@@H+](CCCF)C1)C12CC[NH+](CC1)C2 ZINC001437945564 963251586 /nfs/dbraw/zinc/25/15/86/963251586.db2.gz IXLLUQPUAZMEBA-CQSZACIVSA-N 2 0 297.418 1.270 10 0 CDAERP CC(C)CC[NH+]1CC(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001438132754 963338967 /nfs/dbraw/zinc/33/89/67/963338967.db2.gz JDVLAOQSYDIECV-UHFFFAOYSA-N 2 0 295.471 1.955 10 0 CDAERP CC1(C)CC(C[N@@H+]2CC[C@H]2CNC(=O)C[NH+]2CCCC2)C1 ZINC001420901788 963342754 /nfs/dbraw/zinc/34/27/54/963342754.db2.gz KBWPNDGQJCJBMR-HNNXBMFYSA-N 2 0 293.455 1.709 10 0 CDAERP C[C@H](F)CC[NH2+]C1(CNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001420958607 963385397 /nfs/dbraw/zinc/38/53/97/963385397.db2.gz JTFGHBSDRJCGCS-LBPRGKRZSA-N 2 0 285.407 1.457 10 0 CDAERP CC(C)[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CCCC1 ZINC001421165368 963481310 /nfs/dbraw/zinc/48/13/10/963481310.db2.gz CICZXMLCXNEHEV-OAHLLOKOSA-N 2 0 293.455 1.755 10 0 CDAERP CC[N@H+](C)CCC(=O)NCC1CN(Cc2cncs2)C1 ZINC001421171568 963483576 /nfs/dbraw/zinc/48/35/76/963483576.db2.gz NKZGREDYRMFXFE-UHFFFAOYSA-N 2 0 296.440 1.033 10 0 CDAERP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](CC[C@@H]2CCCO2)C1 ZINC001421310842 963547403 /nfs/dbraw/zinc/54/74/03/963547403.db2.gz KSFAFSJOXOANQJ-CABCVRRESA-N 2 0 297.443 1.040 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+](C)CCCF)CC[N@@H+]1C ZINC001438870901 963583998 /nfs/dbraw/zinc/58/39/98/963583998.db2.gz FYXXDZFTJJBXBU-UONOGXRCSA-N 2 0 287.423 1.467 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC001439710914 963841065 /nfs/dbraw/zinc/84/10/65/963841065.db2.gz ZTSLOILLTVIENU-QGZVFWFLSA-N 2 0 293.455 1.663 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC ZINC001439819750 963866500 /nfs/dbraw/zinc/86/65/00/963866500.db2.gz GETHSNNSEOTFNQ-ILXRZTDVSA-N 2 0 299.434 1.752 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1CC1)C1CCCC1 ZINC001439820522 963867661 /nfs/dbraw/zinc/86/76/61/963867661.db2.gz SOYHNQAHERQVNL-HOTGVXAUSA-N 2 0 293.455 1.755 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1CC1CCC1 ZINC001440280366 963969472 /nfs/dbraw/zinc/96/94/72/963969472.db2.gz XNJDDKTYWJLWAS-OAHLLOKOSA-N 2 0 281.444 1.659 10 0 CDAERP C[NH+](C)CCC(=O)NCC1([NH2+]CCC(F)(F)F)CCC1 ZINC001440334506 963990294 /nfs/dbraw/zinc/99/02/94/963990294.db2.gz SERPVDKIDRLQRF-UHFFFAOYSA-N 2 0 295.349 1.519 10 0 CDAERP CO[C@H](C)C[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001440736466 964153432 /nfs/dbraw/zinc/15/34/32/964153432.db2.gz RVAJLZWSLHHZIQ-CABCVRRESA-N 2 0 297.443 1.040 10 0 CDAERP COCC[N@H+](C)[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001441030733 964336550 /nfs/dbraw/zinc/33/65/50/964336550.db2.gz GKFQLTIVSBYBGW-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC[NH+]2CCCCC2)C1 ZINC001441351797 964472331 /nfs/dbraw/zinc/47/23/31/964472331.db2.gz ZQRUXQNWTOUOHQ-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CC=C(Cl)Cl ZINC001441588525 964605490 /nfs/dbraw/zinc/60/54/90/964605490.db2.gz HEVKUQBALDVUMD-JTQLQIEISA-N 2 0 296.242 1.694 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@H]1CCCCN1C/C=C/Cl ZINC001441649318 964634037 /nfs/dbraw/zinc/63/40/37/964634037.db2.gz YYNPTTZWDTWMOS-HZRUHFOJSA-N 2 0 299.846 1.805 10 0 CDAERP Cc1nocc1C[NH2+][C@@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001441658196 964639403 /nfs/dbraw/zinc/63/94/03/964639403.db2.gz NFNMQMQVSHTZDE-LBPRGKRZSA-N 2 0 294.399 1.015 10 0 CDAERP Cc1cnc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C)s1 ZINC001441785524 964708188 /nfs/dbraw/zinc/70/81/88/964708188.db2.gz JXMXIXBEFWJDBW-PWSUYJOCSA-N 2 0 296.440 1.140 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)C1CC([NH2+]CC2CCC2)C1 ZINC001442255399 964963548 /nfs/dbraw/zinc/96/35/48/964963548.db2.gz CNORKZZFYPHOEB-UHFFFAOYSA-N 2 0 281.444 1.706 10 0 CDAERP Cc1ccccc1C[NH2+][C@H](C)CCNC(=O)CC[NH+](C)C ZINC001442291293 964974424 /nfs/dbraw/zinc/97/44/24/964974424.db2.gz RGKOVYZZLQXYOA-OAHLLOKOSA-N 2 0 291.439 1.931 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)CC[NH+](C)C)C1 ZINC001442492218 965091000 /nfs/dbraw/zinc/09/10/00/965091000.db2.gz UJMGKAOZMOHFKD-LSDHHAIUSA-N 2 0 283.460 1.811 10 0 CDAERP CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001558103105 965231881 /nfs/dbraw/zinc/23/18/81/965231881.db2.gz OHJODPXNZTUBAW-MGPQQGTHSA-N 2 0 267.417 1.317 10 0 CDAERP C[NH+](C)CCn1nccc1C(=O)Nc1ccc2c[nH+]cn2c1 ZINC001558590733 965325962 /nfs/dbraw/zinc/32/59/62/965325962.db2.gz ZCZZBNZKRSBVQX-UHFFFAOYSA-N 2 0 298.350 1.345 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH+](CC2CC2)C2CC2)C1 ZINC001443044097 965333102 /nfs/dbraw/zinc/33/31/02/965333102.db2.gz MNMVFALMGWLYCQ-AWEZNQCLSA-N 2 0 279.428 1.319 10 0 CDAERP C[NH+](C)CCC(=O)NCC[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001443235942 965407242 /nfs/dbraw/zinc/40/72/42/965407242.db2.gz BQIXDYGPDWXKGR-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP Cc1ncsc1C[NH2+]C[C@H](C)N(C)C(=O)CC[NH+](C)C ZINC001444670258 965918048 /nfs/dbraw/zinc/91/80/48/965918048.db2.gz RNBFQASUFBRBQE-NSHDSACASA-N 2 0 298.456 1.340 10 0 CDAERP C(CN[C@H]1CC[NH2+]C12CCCC2)C[NH+]1CCCC1 ZINC001350959464 966813068 /nfs/dbraw/zinc/81/30/68/966813068.db2.gz ZJHMGLKQESUJHH-AWEZNQCLSA-N 2 0 251.418 1.737 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001447762515 966865711 /nfs/dbraw/zinc/86/57/11/966865711.db2.gz WGLSQPSGJNAIIS-JKSUJKDBSA-N 2 0 293.455 1.661 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cnoc1C ZINC001447908346 966925587 /nfs/dbraw/zinc/92/55/87/966925587.db2.gz AKGXFYAXMXGAGP-VXGBXAGGSA-N 2 0 296.415 1.308 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)C[C@@H]1CC(C)(C)CO1 ZINC001448082964 966988438 /nfs/dbraw/zinc/98/84/38/966988438.db2.gz INBBBBHDSRLRES-KGLIPLIRSA-N 2 0 299.459 1.190 10 0 CDAERP CO[C@H](C)C[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001449017395 967335872 /nfs/dbraw/zinc/33/58/72/967335872.db2.gz UFLIBHNWHGLLRQ-FMKPAKJESA-N 2 0 297.443 1.086 10 0 CDAERP COCC[N@H+](C)CCN(C(=O)C[C@@H]1CC[NH+](C)C1)C(C)C ZINC001449279546 967417936 /nfs/dbraw/zinc/41/79/36/967417936.db2.gz SRSXXIVBYYTIDG-HNNXBMFYSA-N 2 0 299.459 1.143 10 0 CDAERP CC1CC[NH+](CCN2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)CC1 ZINC001460863952 969556834 /nfs/dbraw/zinc/55/68/34/969556834.db2.gz MGPCQYBFGGLLPI-CVEARBPZSA-N 2 0 265.445 1.602 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H](C)CC[NH+](C)C)C1 ZINC001465565988 969883327 /nfs/dbraw/zinc/88/33/27/969883327.db2.gz HFBOYUNCRQNBJP-UONOGXRCSA-N 2 0 269.433 1.517 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC001361667519 970399307 /nfs/dbraw/zinc/39/93/07/970399307.db2.gz XKAMYIWACPPDCT-MRXNPFEDSA-N 2 0 293.455 1.661 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]CC2CCC2)C1 ZINC001371645398 972576573 /nfs/dbraw/zinc/57/65/73/972576573.db2.gz UFASMQCPQGTAKL-LSDHHAIUSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H](C[NH2+]Cc1cncc(F)c1)N(C)C(=O)CC[NH+](C)C ZINC001496151308 972819870 /nfs/dbraw/zinc/81/98/70/972819870.db2.gz VHBPTAILFFHIIX-GFCCVEGCSA-N 2 0 296.390 1.109 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CC1CC2(CCC2)C1 ZINC001372221465 972854147 /nfs/dbraw/zinc/85/41/47/972854147.db2.gz QKRZWZPBNNFXJM-OAHLLOKOSA-N 2 0 293.455 1.566 10 0 CDAERP C[C@@H](CC[NH2+]C/C=C/Cl)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001497247305 973259824 /nfs/dbraw/zinc/25/98/24/973259824.db2.gz JEAAQYLMKFGYSY-BVAIOKDQSA-N 2 0 287.835 1.708 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CC[NH2+]Cc1ccns1 ZINC001497332579 973291238 /nfs/dbraw/zinc/29/12/38/973291238.db2.gz PLJFQBLCIUKKEN-LBPRGKRZSA-N 2 0 298.456 1.468 10 0 CDAERP C[NH+](C)[C@H]1CCCN(C(=O)CC[N@@H+]2CC[C@@H](F)C2)CC1 ZINC001417714153 973319958 /nfs/dbraw/zinc/31/99/58/973319958.db2.gz LIAVEIKNSAMVTH-KGLIPLIRSA-N 2 0 285.407 1.363 10 0 CDAERP CCN(CC[NH2+]CCC1CC1)C(=O)C[NH+]1CCC(C)CC1 ZINC001497472072 973361344 /nfs/dbraw/zinc/36/13/44/973361344.db2.gz YBRGVIKJSKSCFL-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]1CCC[N@H+](CCF)C1)[NH+](C)C ZINC001418122263 973598866 /nfs/dbraw/zinc/59/88/66/973598866.db2.gz ADKDDKIVDRIFAO-QWHCGFSZSA-N 2 0 273.396 1.124 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]C/C=C\Cl ZINC001497993915 973603226 /nfs/dbraw/zinc/60/32/26/973603226.db2.gz UUWIKKPAYANBPM-YVNFWLBFSA-N 2 0 287.835 1.708 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC1CCC1 ZINC001418231812 973682319 /nfs/dbraw/zinc/68/23/19/973682319.db2.gz XTVSDEHWOUEXMB-ZFWWWQNUSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001373919886 973689259 /nfs/dbraw/zinc/68/92/59/973689259.db2.gz FNKNSCZCWIXFSZ-IHRRRGAJSA-N 2 0 287.423 1.703 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1ccccc1)[NH+](C)C ZINC001418240303 973690097 /nfs/dbraw/zinc/69/00/97/973690097.db2.gz YKXOJDWLBCBIGH-DZGCQCFKSA-N 2 0 277.412 1.621 10 0 CDAERP Cc1nocc1C[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001418242788 973691941 /nfs/dbraw/zinc/69/19/41/973691941.db2.gz HPHXKUXLXUINDD-BXUZGUMPSA-N 2 0 294.399 1.062 10 0 CDAERP COC[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001373963376 973705316 /nfs/dbraw/zinc/70/53/16/973705316.db2.gz BFLJUPSIDIIMPZ-ZNMIVQPWSA-N 2 0 297.443 1.086 10 0 CDAERP CCC(CC)C[NH2+]C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001498160142 973719601 /nfs/dbraw/zinc/71/96/01/973719601.db2.gz IZHZIUABUNQTGQ-ZDUSSCGKSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC1CCC1 ZINC001418415228 973808148 /nfs/dbraw/zinc/80/81/48/973808148.db2.gz MZNTZEOUVWMYJS-UONOGXRCSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@@H](F)C[N@H+](C)C[C@H](C)NC(=O)C[NH+](C)C(C)C ZINC001498457470 973898617 /nfs/dbraw/zinc/89/86/17/973898617.db2.gz RPNHSMBWIWIVMH-QWHCGFSZSA-N 2 0 275.412 1.511 10 0 CDAERP C[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)CCC1CCCC1 ZINC001418513210 973917808 /nfs/dbraw/zinc/91/78/08/973917808.db2.gz VPAVBPSZYIRNHX-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001374552792 974020474 /nfs/dbraw/zinc/02/04/74/974020474.db2.gz YAJCHUCKXSGULV-LSDHHAIUSA-N 2 0 283.460 1.765 10 0 CDAERP C[N@H+](CC(=O)N1CCC[C@H]1C[NH2+]C/C=C\Cl)C1CCC1 ZINC001499900879 974329591 /nfs/dbraw/zinc/32/95/91/974329591.db2.gz NKHDRHQTAMZTTB-VCDPDADVSA-N 2 0 299.846 1.804 10 0 CDAERP CCC[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C1CCCC1 ZINC001500126978 974379669 /nfs/dbraw/zinc/37/96/69/974379669.db2.gz RAQPCVAYFPLKTL-OAHLLOKOSA-N 2 0 281.444 1.757 10 0 CDAERP CCC[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001500257079 974412574 /nfs/dbraw/zinc/41/25/74/974412574.db2.gz IKFRAZBUAQZJJG-UKRRQHHQSA-N 2 0 267.417 1.319 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001500374474 974428266 /nfs/dbraw/zinc/42/82/66/974428266.db2.gz MWHPBMYXCKNMLK-UKRRQHHQSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@]2(CC[NH+](CCF)C2)C1 ZINC001375647700 974445017 /nfs/dbraw/zinc/44/50/17/974445017.db2.gz XNEDFESNRZJAAP-OAHLLOKOSA-N 2 0 285.407 1.221 10 0 CDAERP C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C[NH2+]CC1CC1 ZINC001501133221 974539161 /nfs/dbraw/zinc/53/91/61/974539161.db2.gz UMPOUODJKYIESJ-ZFWWWQNUSA-N 2 0 281.444 1.422 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001376166626 974590526 /nfs/dbraw/zinc/59/05/26/974590526.db2.gz PQBBZGZZRJZNAE-CABCVRRESA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001501606787 974605309 /nfs/dbraw/zinc/60/53/09/974605309.db2.gz CMOJDWSVFGONSH-XHSDSOJGSA-N 2 0 295.471 1.953 10 0 CDAERP C[NH+](C)CCCC(=O)N1CC[C@H]([NH2+]Cc2cncs2)C1 ZINC001376386896 974648479 /nfs/dbraw/zinc/64/84/79/974648479.db2.gz CIOWUQSSSJAEBB-LBPRGKRZSA-N 2 0 296.440 1.175 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001376477117 974671800 /nfs/dbraw/zinc/67/18/00/974671800.db2.gz UYXVRHNEQIBRQW-WUHRBBMRSA-N 2 0 271.380 1.066 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CCC[NH+](CCF)C1 ZINC001376511265 974677807 /nfs/dbraw/zinc/67/78/07/974677807.db2.gz PSHJWTIEUXZPTP-CABCVRRESA-N 2 0 299.434 1.659 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001376609531 974695031 /nfs/dbraw/zinc/69/50/31/974695031.db2.gz KYJHLOKACLXPGA-LSDHHAIUSA-N 2 0 299.434 1.801 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH2+]C/C=C/Cl)CCC2)C1 ZINC001376805980 974777531 /nfs/dbraw/zinc/77/75/31/974777531.db2.gz BEMREGGMYHZPHF-LPZVBRGNSA-N 2 0 299.846 1.709 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC2CCC2)CC1(C)C ZINC001502831935 974792842 /nfs/dbraw/zinc/79/28/42/974792842.db2.gz HURHBYNQZGJOMY-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]CC1CC1)[NH+]1CCCC1 ZINC001376881123 974800344 /nfs/dbraw/zinc/80/03/44/974800344.db2.gz PDANOJBGADLBHB-HIFRSBDPSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]CCF ZINC001377050154 974867766 /nfs/dbraw/zinc/86/77/66/974867766.db2.gz OCFYMVHKMFRLBV-UONOGXRCSA-N 2 0 287.423 1.561 10 0 CDAERP CC[C@@H](F)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001377223037 974932970 /nfs/dbraw/zinc/93/29/70/974932970.db2.gz BEEZRKVAWYIBSI-MGPQQGTHSA-N 2 0 287.423 1.655 10 0 CDAERP CC(C)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001377278326 974955144 /nfs/dbraw/zinc/95/51/44/974955144.db2.gz XYZWHFIPVNKNIY-AWEZNQCLSA-N 2 0 281.444 1.707 10 0 CDAERP CC[N@H+](CCCC(C)C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001377367410 974992239 /nfs/dbraw/zinc/99/22/39/974992239.db2.gz XWIYOSYJIFFRQX-HNNXBMFYSA-N 2 0 283.460 1.812 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CC[NH+](C/C=C/Cl)C2)C1 ZINC001377473351 975041221 /nfs/dbraw/zinc/04/12/21/975041221.db2.gz ZDBQSWPQRDBKRS-WVHFKYGJSA-N 2 0 299.846 1.519 10 0 CDAERP CCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@H+](CC)C1 ZINC001377650729 975101426 /nfs/dbraw/zinc/10/14/26/975101426.db2.gz GMKWOWAGCBFXMA-RBSFLKMASA-N 2 0 281.444 1.659 10 0 CDAERP CCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001377758448 975129267 /nfs/dbraw/zinc/12/92/67/975129267.db2.gz UWMCZGBQNUTHIU-CABCVRRESA-N 2 0 281.444 1.661 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CCF)C1 ZINC001377789348 975140948 /nfs/dbraw/zinc/14/09/48/975140948.db2.gz VQTMLDLICFHXQA-CABCVRRESA-N 2 0 299.434 1.611 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C1C[NH+](CC[C@@H](C)F)C1 ZINC001506679316 975202022 /nfs/dbraw/zinc/20/20/22/975202022.db2.gz OJSGGPULGAPVPF-OLZOCXBDSA-N 2 0 287.423 1.511 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C[NH2+]CC1CC1)C1CC1 ZINC001507034501 975301193 /nfs/dbraw/zinc/30/11/93/975301193.db2.gz FFMSYHSKUXUMNL-HNNXBMFYSA-N 2 0 281.444 1.563 10 0 CDAERP CC[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CCC1CC1 ZINC001378301949 975323699 /nfs/dbraw/zinc/32/36/99/975323699.db2.gz NREKKJLGBAMARG-DZGCQCFKSA-N 2 0 281.444 1.613 10 0 CDAERP CC[NH2+]C[C@H]1CCCN1C(=O)[C@H](F)C[NH+](CC)CC ZINC001378497707 975366462 /nfs/dbraw/zinc/36/64/62/975366462.db2.gz DMLSALLDAVZSDD-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP CCCC[N@@H+]1CC[C@H](CCNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001404504817 975411135 /nfs/dbraw/zinc/41/11/35/975411135.db2.gz BXBYHPDKJRMIPX-HOTGVXAUSA-N 2 0 295.471 1.957 10 0 CDAERP CC[C@@H](F)CN1CCC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001404666872 975452345 /nfs/dbraw/zinc/45/23/45/975452345.db2.gz IIJNSJQASFEZJV-MCIONIFRSA-N 2 0 287.423 1.655 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CCCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001378795695 975492884 /nfs/dbraw/zinc/49/28/84/975492884.db2.gz FZWBUTVKXLIKAT-OAHLLOKOSA-N 2 0 295.471 1.909 10 0 CDAERP CO[C@H](C)C[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001378799828 975495996 /nfs/dbraw/zinc/49/59/96/975495996.db2.gz AEAHELVTNFZGAU-UONOGXRCSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001401306665 975572449 /nfs/dbraw/zinc/57/24/49/975572449.db2.gz DOWZPTJWWGEVGX-GJZGRUSLSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001401306666 975573583 /nfs/dbraw/zinc/57/35/83/975573583.db2.gz DOWZPTJWWGEVGX-HUUCEWRRSA-N 2 0 283.460 1.811 10 0 CDAERP COCC[N@H+](C)C[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001388840859 975616242 /nfs/dbraw/zinc/61/62/42/975616242.db2.gz XTHWIFAOHOQLCN-HNNXBMFYSA-N 2 0 299.459 1.288 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)C1CC([NH2+]CCF)C1)[NH+]1CCCC1 ZINC001508154736 975622448 /nfs/dbraw/zinc/62/24/48/975622448.db2.gz KEKDUFAKGVXGHZ-NRXISQOPSA-N 2 0 299.434 1.655 10 0 CDAERP C[C@@H]1[C@H](C(=O)N(C)CC[NH+](C)CC2CCCC2)CC[N@@H+]1C ZINC001401366346 975623759 /nfs/dbraw/zinc/62/37/59/975623759.db2.gz OVYBRBBPCMIAPR-GDBMZVCRSA-N 2 0 295.471 1.907 10 0 CDAERP CC[NH2+]CCOCCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001508184334 975632778 /nfs/dbraw/zinc/63/27/78/975632778.db2.gz IAILXNFBROJQQD-UHFFFAOYSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CC1 ZINC001401392721 975639657 /nfs/dbraw/zinc/63/96/57/975639657.db2.gz WLTYWFJNKPTQNY-LSDHHAIUSA-N 2 0 281.444 1.469 10 0 CDAERP CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)[NH2+]Cc1cncs1 ZINC001405270224 975699438 /nfs/dbraw/zinc/69/94/38/975699438.db2.gz QZGFLWLZKSPFIU-DGCLKSJQSA-N 2 0 298.456 1.468 10 0 CDAERP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ncccc1C ZINC001405300060 975707466 /nfs/dbraw/zinc/70/74/66/975707466.db2.gz WYCUEYYCNMEMAH-CQSZACIVSA-N 2 0 292.427 1.326 10 0 CDAERP Cc1ncsc1C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001401622568 975744139 /nfs/dbraw/zinc/74/41/39/975744139.db2.gz YTPPZSQRNOMYJV-PWSUYJOCSA-N 2 0 296.440 1.140 10 0 CDAERP CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001401778526 975903819 /nfs/dbraw/zinc/90/38/19/975903819.db2.gz XRZNFYVZXLECDS-ZFWWWQNUSA-N 2 0 281.444 1.850 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)CC1CC1 ZINC001401816520 975935344 /nfs/dbraw/zinc/93/53/44/975935344.db2.gz FTWUELAXLRDOFS-UKRRQHHQSA-N 2 0 281.444 1.707 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]([NH2+]CCF)C1CC1 ZINC001398400922 975972930 /nfs/dbraw/zinc/97/29/30/975972930.db2.gz PONRLJGAXQBKFH-UONOGXRCSA-N 2 0 285.407 1.315 10 0 CDAERP CC[NH2+][C@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C(C)C ZINC001406072671 976003546 /nfs/dbraw/zinc/00/35/46/976003546.db2.gz HVRBOBXLBBGENR-HUUCEWRRSA-N 2 0 283.460 1.857 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H](C)OC)C1 ZINC001390022771 976089739 /nfs/dbraw/zinc/08/97/39/976089739.db2.gz AEDUUMZOPOPKTC-XQLPTFJDSA-N 2 0 297.443 1.133 10 0 CDAERP CCN(CC[NH2+]C(C)C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001406345966 976141015 /nfs/dbraw/zinc/14/10/15/976141015.db2.gz ZMBVKWBUNLJUCR-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001380000804 976175670 /nfs/dbraw/zinc/17/56/70/976175670.db2.gz DCOGOYLDTLKLOM-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@]1(CNC(=O)C23CC[NH+](CC2)C3)CCC[N@H+](CCF)C1 ZINC001402233522 976192864 /nfs/dbraw/zinc/19/28/64/976192864.db2.gz QSNRKIBQPVZHGD-OAHLLOKOSA-N 2 0 297.418 1.270 10 0 CDAERP Cc1ncoc1C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001406481407 976218634 /nfs/dbraw/zinc/21/86/34/976218634.db2.gz CSDHKEACUCUBCF-AAEUAGOBSA-N 2 0 294.399 1.062 10 0 CDAERP C[C@H](C[N@H+](C)CC1CCCC1)NC(=O)[C@@H]1CCC[NH+]1C ZINC001406588137 976280851 /nfs/dbraw/zinc/28/08/51/976280851.db2.gz TUMDJRFNXUFUMZ-HIFRSBDPSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@H](C(=O)N[C@@]1(C)CC[N@H+](CC2CCC2)C1)[NH+](C)C ZINC001380358150 976377395 /nfs/dbraw/zinc/37/73/95/976377395.db2.gz YHHNGKBTWOAXQI-ZBFHGGJFSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@H+](C)C[C@H]1CCCCO1 ZINC001406727364 976381616 /nfs/dbraw/zinc/38/16/16/976381616.db2.gz SRDMQHKPOCMHQY-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP CC[C@@H](C[NH2+]C[C@@]1(C)CCN(C(=O)CC[NH+](C)C)C1)OC ZINC001380420041 976414963 /nfs/dbraw/zinc/41/49/63/976414963.db2.gz ZTFRYCFBDFJNMH-GOEBONIOSA-N 2 0 299.459 1.191 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@]2(CC[N@H+](CCF)C2)C1 ZINC001402705564 976447777 /nfs/dbraw/zinc/44/77/77/976447777.db2.gz CNGQYNVSYTXNPS-OAHLLOKOSA-N 2 0 285.407 1.222 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC[C@@H](C)[NH2+]C/C=C/Cl ZINC001390730076 976459149 /nfs/dbraw/zinc/45/91/49/976459149.db2.gz LBHXJSWDUYJCKK-HOSRBBHYSA-N 2 0 275.824 1.564 10 0 CDAERP C[C@H](F)CC[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001406957850 976491661 /nfs/dbraw/zinc/49/16/61/976491661.db2.gz MFGZAZHJFYXCCW-OLZOCXBDSA-N 2 0 285.407 1.315 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)CC[C@H](C)F)CC[N@@H+]1C ZINC001390766716 976492233 /nfs/dbraw/zinc/49/22/33/976492233.db2.gz OWLDXWLOXREZMB-MELADBBJSA-N 2 0 287.423 1.513 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCCF ZINC001380687561 976515920 /nfs/dbraw/zinc/51/59/20/976515920.db2.gz FIKAFKWLUHQXHX-QDMKHBRRSA-N 2 0 299.434 1.657 10 0 CDAERP C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@H](C)[NH2+]CC1CC1 ZINC001403016595 976661361 /nfs/dbraw/zinc/66/13/61/976661361.db2.gz KXBICDYNLDNSBV-STQMWFEESA-N 2 0 281.444 1.754 10 0 CDAERP Cc1cc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C)sn1 ZINC001403020205 976667166 /nfs/dbraw/zinc/66/71/66/976667166.db2.gz YFQGOCXUXYNEBS-WCQYABFASA-N 2 0 296.440 1.140 10 0 CDAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]Cc1ccns1 ZINC001381101300 976672346 /nfs/dbraw/zinc/67/23/46/976672346.db2.gz IYMUGNQUYVTBRF-AAEUAGOBSA-N 2 0 296.440 1.031 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1CC[C@H](C)F ZINC001391072567 976675711 /nfs/dbraw/zinc/67/57/11/976675711.db2.gz TUUBZZDWJVAJHD-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@H](F)CC[N@@H+]1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001399866259 976708035 /nfs/dbraw/zinc/70/80/35/976708035.db2.gz JIVBZBCQMRFGCE-UONOGXRCSA-N 2 0 299.434 1.657 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]CCF ZINC001381196432 976714421 /nfs/dbraw/zinc/71/44/21/976714421.db2.gz JNJHMVQSKHPGJH-QWHCGFSZSA-N 2 0 273.396 1.315 10 0 CDAERP CC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001391294985 976798665 /nfs/dbraw/zinc/79/86/65/976798665.db2.gz ITQXLNWBWNYASB-ZFWWWQNUSA-N 2 0 279.428 1.176 10 0 CDAERP CC(C)CC[NH+]1CC([C@@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001403309397 976873712 /nfs/dbraw/zinc/87/37/12/976873712.db2.gz XDTAHLIVFGIYKS-CQSZACIVSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)CC[NH+]1CC(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001391503225 976921721 /nfs/dbraw/zinc/92/17/21/976921721.db2.gz YWYIBDSJYAPNSL-UHFFFAOYSA-N 2 0 295.471 1.812 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC[C@@H](C)[NH2+]CCF)CC[N@@H+]1C ZINC001403380569 976924565 /nfs/dbraw/zinc/92/45/65/976924565.db2.gz XRBZQTVAKDRZKZ-FRRDWIJNSA-N 2 0 273.396 1.171 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001403456470 976963962 /nfs/dbraw/zinc/96/39/62/976963962.db2.gz UBMPJACRSHXPKJ-AJNGGQMLSA-N 2 0 281.444 1.469 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H]1C[N@H+](C)CCC1CC1 ZINC001408344408 977016519 /nfs/dbraw/zinc/01/65/19/977016519.db2.gz PVTDXSZZVIUPLF-HNNXBMFYSA-N 2 0 281.444 1.661 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)CC2CC(C)C2)CC[N@@H+]1C ZINC001403567115 977069547 /nfs/dbraw/zinc/06/95/47/977069547.db2.gz OOBJOYKWLRDTBJ-SSHXOBKSSA-N 2 0 295.471 1.811 10 0 CDAERP CO[C@@H](C)C[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001403573410 977077467 /nfs/dbraw/zinc/07/74/67/977077467.db2.gz BEFJSKCNYZQQLR-KGLIPLIRSA-N 2 0 299.459 1.332 10 0 CDAERP C[NH+](C)CC1(C(=O)NCC2C[NH+](CCC(C)(C)C)C2)CC1 ZINC001400535371 977080276 /nfs/dbraw/zinc/08/02/76/977080276.db2.gz ZSUWOAFZWQREJK-UHFFFAOYSA-N 2 0 295.471 1.812 10 0 CDAERP CC[C@@H](F)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001381928960 977083584 /nfs/dbraw/zinc/08/35/84/977083584.db2.gz SSAPNKBKQLNTPS-TUVASFSCSA-N 2 0 297.418 1.124 10 0 CDAERP CC[C@@H](C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001381922571 977083729 /nfs/dbraw/zinc/08/37/29/977083729.db2.gz SFHSZYJWNYSMQS-FPCVCCKLSA-N 2 0 295.471 1.668 10 0 CDAERP CCN(C(=O)C[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCCF)C1 ZINC001400757126 977172694 /nfs/dbraw/zinc/17/26/94/977172694.db2.gz DAIFZXGVOGPYNT-CABCVRRESA-N 2 0 299.434 1.611 10 0 CDAERP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]Cc1ccns1 ZINC001382163968 977194708 /nfs/dbraw/zinc/19/47/08/977194708.db2.gz RHSSZONKOILMIX-GFCCVEGCSA-N 2 0 296.440 1.175 10 0 CDAERP C[C@H](C[NH2+][C@H](C)c1ccccc1)NC(=O)CC[NH+](C)C ZINC001392503957 977463716 /nfs/dbraw/zinc/46/37/16/977463716.db2.gz FIGRLCRUNZXIOP-ZIAGYGMSSA-N 2 0 277.412 1.794 10 0 CDAERP C[C@@H](C[N@H+](C)CC1CCCCC1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001392719469 977569784 /nfs/dbraw/zinc/56/97/84/977569784.db2.gz AJCWUCOIDGTBQM-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP CCC(CC)C[N@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001492816121 977642577 /nfs/dbraw/zinc/64/25/77/977642577.db2.gz AHOWTJMWHIDWCJ-OAHLLOKOSA-N 2 0 283.460 1.812 10 0 CDAERP CC[C@H](C)C[N@H+]1C[C@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@H]2C1 ZINC001393420358 977785398 /nfs/dbraw/zinc/78/53/98/977785398.db2.gz WTKJTDWCPYDIOP-HRCADAONSA-N 2 0 295.471 1.763 10 0 CDAERP CCC1([NH2+]CCF)CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001393675810 977891500 /nfs/dbraw/zinc/89/15/00/977891500.db2.gz GFVKYARKWNOHGF-UHFFFAOYSA-N 2 0 299.434 1.659 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)[NH2+]CCC(F)(F)F ZINC001393967017 977987477 /nfs/dbraw/zinc/98/74/77/977987477.db2.gz HHIBMYDZMRVZSH-NXEZZACHSA-N 2 0 283.338 1.373 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cc(C)no1 ZINC001394003249 978002226 /nfs/dbraw/zinc/00/22/26/978002226.db2.gz RWSMZXLVSHCXRG-QWHCGFSZSA-N 2 0 296.415 1.308 10 0 CDAERP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H](C[NH2+]CC1CC1)C1CC1 ZINC001394413908 978155025 /nfs/dbraw/zinc/15/50/25/978155025.db2.gz HMRTWFGRPOPXDX-GJZGRUSLSA-N 2 0 279.428 1.317 10 0 CDAERP COC[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001394501173 978186223 /nfs/dbraw/zinc/18/62/23/978186223.db2.gz IPNUXPAJVQFFLQ-KBPBESRZSA-N 2 0 299.459 1.332 10 0 CDAERP CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]CCC(F)(F)F)[NH+](C)C ZINC001394542618 978198566 /nfs/dbraw/zinc/19/85/66/978198566.db2.gz USGCYKKLMUQLOI-WDEREUQCSA-N 2 0 297.365 1.716 10 0 CDAERP CC[NH2+][C@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001394568914 978207018 /nfs/dbraw/zinc/20/70/18/978207018.db2.gz VPPPVROOEWFVGP-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CCC2CC2)C[C@@H]1C ZINC001394675956 978227093 /nfs/dbraw/zinc/22/70/93/978227093.db2.gz FJBKIMRZNVXXBL-ZFWWWQNUSA-N 2 0 281.444 1.706 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CCC(C)C)C[C@@H]1C ZINC001394675439 978228827 /nfs/dbraw/zinc/22/88/27/978228827.db2.gz XKHYEOWKZRWNFE-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CC1(C)CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]C/C=C\Cl ZINC001394713076 978237390 /nfs/dbraw/zinc/23/73/90/978237390.db2.gz JGYOMBSYYFFYPE-SZZPACECSA-N 2 0 299.846 1.661 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)COC1CC[NH+](C)CC1)C(C)(C)C ZINC001394833952 978280265 /nfs/dbraw/zinc/28/02/65/978280265.db2.gz KGDRGGHYZATLEI-CQSZACIVSA-N 2 0 299.459 1.238 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC(C[NH2+]CCCCCF)C1 ZINC001674525595 1173957517 /nfs/dbraw/zinc/95/75/17/1173957517.db2.gz BLXQTAAOFMDEPD-YMAMQOFZSA-N 2 0 299.434 1.705 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)CCC1CC1 ZINC001675044338 1174068307 /nfs/dbraw/zinc/06/83/07/1174068307.db2.gz WPOURPJCCUMRTF-GXTWGEPZSA-N 2 0 267.417 1.175 10 0 CDAERP CC/C=C\CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001676318916 1174207136 /nfs/dbraw/zinc/20/71/36/1174207136.db2.gz VPYYDQZDYDYJMM-WJNHHXLDSA-N 2 0 281.444 1.873 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NCC[N@@H+]1CCCC1(C)C ZINC001570277886 1170124412 /nfs/dbraw/zinc/12/44/12/1170124412.db2.gz ZJDOLKXIVSNGGG-ZDUSSCGKSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1[NH2+]CCF ZINC001570361311 1170142246 /nfs/dbraw/zinc/14/22/46/1170142246.db2.gz BJLKYLDXQMLHGW-OLZOCXBDSA-N 2 0 273.396 1.124 10 0 CDAERP CC(C)COCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001571400169 1170412692 /nfs/dbraw/zinc/41/26/92/1170412692.db2.gz GEHLCPJIIVARTD-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP COCC[NH2+]C1CC(N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001571659081 1170512757 /nfs/dbraw/zinc/51/27/57/1170512757.db2.gz WWURWTMGCBMRQI-SLTAFYQDSA-N 2 0 297.443 1.086 10 0 CDAERP CCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[C@@H]2C[NH+](C)C[C@@H]12 ZINC001650608224 1171235205 /nfs/dbraw/zinc/23/52/05/1171235205.db2.gz YKWYXXKQHLRBAQ-KLHDSHLOSA-N 2 0 293.455 1.707 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001656237510 1171797712 /nfs/dbraw/zinc/79/77/12/1171797712.db2.gz BKUOJOYNSMOVBZ-RBSFLKMASA-N 2 0 281.444 1.613 10 0 CDAERP CCOC(=O)c1cccc(C[NH2+]CC2CC[NH+](C)CC2)n1 ZINC000600132529 341978708 /nfs/dbraw/zinc/97/87/08/341978708.db2.gz KTPMICZFMICUEF-UHFFFAOYSA-N 2 0 291.395 1.690 10 0 CDAERP CC[NH+](CC)CC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000589135454 342497973 /nfs/dbraw/zinc/49/79/73/342497973.db2.gz XPZHJHAMQVJPBU-UHFFFAOYSA-N 2 0 273.340 1.548 10 0 CDAERP C[C@H](CC(=O)N1CCCCCC1)[NH2+]CCC1(C[NH3+])CC1 ZINC000650714091 398156330 /nfs/dbraw/zinc/15/63/30/398156330.db2.gz QZDWGUUDQPFYST-CQSZACIVSA-N 2 0 281.444 1.886 10 0 CDAERP [NH3+]CC1(CC[NH2+]CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000650714136 398156470 /nfs/dbraw/zinc/15/64/70/398156470.db2.gz SVZGWYJDJOFGGU-UHFFFAOYSA-N 2 0 287.363 1.001 10 0 CDAERP C[N@@H+]1CCC[C@@H]2C[NH+](CCOC3CCOCC3)CC[C@@H]21 ZINC000625221861 342042668 /nfs/dbraw/zinc/04/26/68/342042668.db2.gz CODUTYLDMGVOFF-ZBFHGGJFSA-N 2 0 282.428 1.598 10 0 CDAERP Cc1ccsc1[C@@H](CO)NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351604147 361794565 /nfs/dbraw/zinc/79/45/65/361794565.db2.gz DMSVVRHHMDYLKH-CHWSQXEVSA-N 2 0 284.425 1.135 10 0 CDAERP Cc1ccncc1C[NH2+]C(C)(C)CCN1CC[NH+](C)CC1 ZINC000354644577 365602645 /nfs/dbraw/zinc/60/26/45/365602645.db2.gz CVUGJTNYXUIFOT-UHFFFAOYSA-N 2 0 290.455 1.896 10 0 CDAERP C[C@H]1C[C@@H](NC(=O)c2ccccc2CC[NH3+])CC[N@@H+]1C ZINC000157822416 342072546 /nfs/dbraw/zinc/07/25/46/342072546.db2.gz GKWCBXQDRMMGMB-JSGCOSHPSA-N 2 0 275.396 1.400 10 0 CDAERP Cc1nc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(C)s1 ZINC000533570177 282134574 /nfs/dbraw/zinc/13/45/74/282134574.db2.gz UNWIRXXNLZBQLF-UHFFFAOYSA-N 2 0 298.456 1.325 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000591442613 342632471 /nfs/dbraw/zinc/63/24/71/342632471.db2.gz UBFIGFOLQKBCLE-OLZOCXBDSA-N 2 0 253.390 1.071 10 0 CDAERP CN(CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)CC(F)F ZINC000624328504 342154650 /nfs/dbraw/zinc/15/46/50/342154650.db2.gz UWLYQBWMPHUJTF-UPJWGTAASA-N 2 0 275.387 1.646 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000351670701 361853843 /nfs/dbraw/zinc/85/38/43/361853843.db2.gz JEPHGALRRDBLGH-OAGGEKHMSA-N 2 0 293.455 1.994 10 0 CDAERP CCOc1cccc(CN2CCC([NH2+]CCOC)CC2)n1 ZINC000572487659 361876080 /nfs/dbraw/zinc/87/60/80/361876080.db2.gz NCQDIXCBWGXYMX-UHFFFAOYSA-N 2 0 293.411 1.681 10 0 CDAERP c1ccc(C[N@@H+]2CCO[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000096949599 185138748 /nfs/dbraw/zinc/13/87/48/185138748.db2.gz JCCUONBDYQUFIJ-MRXNPFEDSA-N 2 0 260.381 1.887 10 0 CDAERP CCO[C@@H](C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1)C1CC1 ZINC000625560128 342187454 /nfs/dbraw/zinc/18/74/54/342187454.db2.gz KQRDCLJBFQDVID-CVEARBPZSA-N 2 0 282.428 1.333 10 0 CDAERP C[NH2+]CCOCC[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000629392340 361907280 /nfs/dbraw/zinc/90/72/80/361907280.db2.gz LDSBKGOBAOFETA-UHFFFAOYSA-N 2 0 291.439 1.477 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000629391956 361907541 /nfs/dbraw/zinc/90/75/41/361907541.db2.gz FYINXWGRMBWHDP-DOTOQJQBSA-N 2 0 291.439 1.648 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1cccc2c1OCCCO2 ZINC000629398888 361918481 /nfs/dbraw/zinc/91/84/81/361918481.db2.gz IZBRTOHTCCNFJC-UHFFFAOYSA-N 2 0 280.368 1.303 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCN1[C@H](C)CCC[C@@H]1C ZINC000422888915 536595174 /nfs/dbraw/zinc/59/51/74/536595174.db2.gz OGVXMUIYIMCRRB-QLFBSQMISA-N 2 0 271.449 1.593 10 0 CDAERP COc1cc(C[NH2+]CCOCCC[NH3+])ccc1SC ZINC000629398348 361931710 /nfs/dbraw/zinc/93/17/10/361931710.db2.gz BRKCPJAJSPFYHP-UHFFFAOYSA-N 2 0 284.425 1.872 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000629399716 361936653 /nfs/dbraw/zinc/93/66/53/361936653.db2.gz KTOSYAJHHFJVLX-UHFFFAOYSA-N 2 0 274.368 1.327 10 0 CDAERP C[C@@H]1C[C@H](N[C@@H]2CC[NH2+][C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000629408106 361949977 /nfs/dbraw/zinc/94/99/77/361949977.db2.gz QIVROGNSEIYAEN-YQFWSFKMSA-N 2 0 273.424 1.989 10 0 CDAERP CC[C@@H](C[NH3+])[C@@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC000669376905 539071989 /nfs/dbraw/zinc/07/19/89/539071989.db2.gz AVEIGRIFHCNJDI-JKSUJKDBSA-N 2 0 262.397 1.998 10 0 CDAERP CC[C@H]([NH2+]CC1([NH3+])CCOCC1)C1(C(=O)OC)CCC1 ZINC000600710168 342243650 /nfs/dbraw/zinc/24/36/50/342243650.db2.gz QPGVSODJMSVIMY-LBPRGKRZSA-N 2 0 284.400 1.206 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1cccc(C(=O)OC)c1 ZINC000600729846 342245660 /nfs/dbraw/zinc/24/56/60/342245660.db2.gz XZCGSZLHWBCFJL-UHFFFAOYSA-N 2 0 280.368 1.141 10 0 CDAERP COC(=O)CCCC[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600746531 342247518 /nfs/dbraw/zinc/24/75/18/342247518.db2.gz USXFESOYXAZPKA-OKILXGFUSA-N 2 0 254.374 1.261 10 0 CDAERP CC(C)[C@H]1CC[C@@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000353454424 539097949 /nfs/dbraw/zinc/09/79/49/539097949.db2.gz KAKBNDVHAMTFDG-CABCVRRESA-N 2 0 253.434 1.648 10 0 CDAERP CCC[NH+]1CCC([NH2+][C@H](C)Cn2cncn2)CC1 ZINC000164114073 539123948 /nfs/dbraw/zinc/12/39/48/539123948.db2.gz ZYZBGBYWGAKHLF-GFCCVEGCSA-N 2 0 251.378 1.131 10 0 CDAERP c1ncc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cn1 ZINC000179987353 539138778 /nfs/dbraw/zinc/13/87/78/539138778.db2.gz LUDXGAPCQCTGBX-UHFFFAOYSA-N 2 0 290.411 1.553 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCN1CC[NH+](CCCF)CC1 ZINC000626072694 342299040 /nfs/dbraw/zinc/29/90/40/342299040.db2.gz HZMCOWSNBZKHBX-HNNXBMFYSA-N 2 0 271.424 1.838 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000594914253 342967507 /nfs/dbraw/zinc/96/75/07/342967507.db2.gz GRBHCPCXIKWWFL-NWANDNLSSA-N 2 0 282.428 1.894 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000594921120 342987019 /nfs/dbraw/zinc/98/70/19/342987019.db2.gz BMNFWZTUPHADDC-BYNSBNAKSA-N 2 0 298.427 1.011 10 0 CDAERP C[C@]1(C[NH2+]CCC[NH+]2CCC(O)CC2)CCCS1 ZINC000628209060 362031296 /nfs/dbraw/zinc/03/12/96/362031296.db2.gz NGMKZLZYNMQHMV-CQSZACIVSA-N 2 0 272.458 1.709 10 0 CDAERP COc1ccc2ccccc2c1CNC[C@H]1C[NH2+]C[C@H]1O ZINC000263157173 362106992 /nfs/dbraw/zinc/10/69/92/362106992.db2.gz DOZSEFFBQXETMN-XJKSGUPXSA-N 2 0 286.375 1.518 10 0 CDAERP C[C@H]([NH3+])C1CC[NH+](CCOC2CCOCC2)CC1 ZINC000629513808 362128973 /nfs/dbraw/zinc/12/89/73/362128973.db2.gz WWJPUZPAGSZRQR-LBPRGKRZSA-N 2 0 256.390 1.241 10 0 CDAERP CCO[C@@H](C[NH+]1CCC(OCCC[NH3+])CC1)C1CC1 ZINC000629514330 362129166 /nfs/dbraw/zinc/12/91/66/362129166.db2.gz QNVVLVYKUIMMMP-HNNXBMFYSA-N 2 0 270.417 1.631 10 0 CDAERP COC(=O)C12CC(C1)C[N@@H+]2CC[C@@H]1CCC[NH2+]C1 ZINC000595903891 343188083 /nfs/dbraw/zinc/18/80/83/343188083.db2.gz UDJIQPICYOONMY-DCBWTQNWSA-N 2 0 252.358 1.014 10 0 CDAERP [NH3+]Cc1cc(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)ccn1 ZINC000645105416 362119183 /nfs/dbraw/zinc/11/91/83/362119183.db2.gz NOHUGPBBXWORTQ-DZGCQCFKSA-N 2 0 288.395 1.145 10 0 CDAERP CCC[C@H]([NH2+]CCOCC[NH2+]C)c1ccccn1 ZINC000629529659 362159197 /nfs/dbraw/zinc/15/91/97/362159197.db2.gz JUWFALFUYCZHRP-ZDUSSCGKSA-N 2 0 251.374 1.748 10 0 CDAERP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC[C@@H]([NH3+])C(C)C)[C@H]1C ZINC000596655730 343364012 /nfs/dbraw/zinc/36/40/12/343364012.db2.gz YBFWWQXRHPOJRO-IGQOVBAYSA-N 2 0 270.417 1.927 10 0 CDAERP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC23CC(C2)C[NH2+]3)[C@H]1C ZINC000596651990 343371295 /nfs/dbraw/zinc/37/12/95/343371295.db2.gz DWPGHPASUFEYQH-AQAWDFJWSA-N 2 0 266.385 1.306 10 0 CDAERP C[C@@H](CCNC(=O)C1C[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000263228211 362351602 /nfs/dbraw/zinc/35/16/02/362351602.db2.gz AJQTZHSVBQMVLN-ZDUSSCGKSA-N 2 0 275.396 1.233 10 0 CDAERP C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H](C)[N@H+]1C ZINC000571355389 362438413 /nfs/dbraw/zinc/43/84/13/362438413.db2.gz AKIMGCLDPQCBBU-OKILXGFUSA-N 2 0 290.411 1.459 10 0 CDAERP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)C1C[NH2+]C1 ZINC000263272911 362418653 /nfs/dbraw/zinc/41/86/53/362418653.db2.gz IJWPVXSQUADPNT-UHFFFAOYSA-N 2 0 295.814 1.450 10 0 CDAERP CN1CCC[C@H]1C[NH2+]CCC(=O)Nc1ccccc1 ZINC000571433339 362518224 /nfs/dbraw/zinc/51/82/24/362518224.db2.gz YLUHOOPLTHZIII-AWEZNQCLSA-N 2 0 261.369 1.699 10 0 CDAERP C[C@H](C[NH2+][C@@H](C)[C@H]1CCCCO1)N1CC[NH+](C)CC1 ZINC000623888886 345623019 /nfs/dbraw/zinc/62/30/19/345623019.db2.gz XOLQIAFBJRGEQI-QLFBSQMISA-N 2 0 269.433 1.170 10 0 CDAERP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)[C@H]1CCCCO1 ZINC000623888045 345591320 /nfs/dbraw/zinc/59/13/20/345591320.db2.gz VOKZFVXCSNXZQK-NVXWUHKLSA-N 2 0 297.487 1.807 10 0 CDAERP CCN(C(=O)[C@H]1CCn2c(C)ncc2C1)[C@@H]1CC[N@H+](C)C1 ZINC000617550510 345842400 /nfs/dbraw/zinc/84/24/00/345842400.db2.gz VVXZYIBBOFZPJC-UONOGXRCSA-N 2 0 290.411 1.307 10 0 CDAERP CCN(C(=O)Cn1cnc2c1CCCC2)[C@H]1CC[N@H+](C)C1 ZINC000617552157 345846033 /nfs/dbraw/zinc/84/60/33/345846033.db2.gz IALCAUABPCRBKG-ZDUSSCGKSA-N 2 0 290.411 1.315 10 0 CDAERP CCN(C(=O)CCCC[NH+](C)C)[C@@H]1CC[N@H+](C)C1 ZINC000617554511 345849378 /nfs/dbraw/zinc/84/93/78/345849378.db2.gz DHWKKUZSTKUJFB-CYBMUJFWSA-N 2 0 255.406 1.271 10 0 CDAERP Cc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)CC2 ZINC000623396822 346154366 /nfs/dbraw/zinc/15/43/66/346154366.db2.gz CXYAVGSISLJVBL-OLZOCXBDSA-N 2 0 277.416 1.364 10 0 CDAERP CC(=O)N1CCC(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623406109 346200416 /nfs/dbraw/zinc/20/04/16/346200416.db2.gz KTJDXDCNLHQTAU-OAHLLOKOSA-N 2 0 281.444 1.707 10 0 CDAERP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+]CC1COC1 ZINC000623763021 346180383 /nfs/dbraw/zinc/18/03/83/346180383.db2.gz OMPVNKHCAGJJSG-UHFFFAOYSA-N 2 0 290.407 1.897 10 0 CDAERP C[C@@H](C[C@](C)(O)C[NH3+])[N@H+](C)CCc1ccncc1 ZINC000085300446 179009795 /nfs/dbraw/zinc/00/97/95/179009795.db2.gz VYPJWQWTRZKBCL-JSGCOSHPSA-N 2 0 251.374 1.044 10 0 CDAERP CCC[C@@H]([NH3+])C(=O)Nc1cc(C[NH+](C)C)ccc1OC ZINC000037018582 346350337 /nfs/dbraw/zinc/35/03/37/346350337.db2.gz XXNDERDSTKYGAC-GFCCVEGCSA-N 2 0 279.384 1.823 10 0 CDAERP CCC[NH+]1CCC([NH2+][C@H](CC)[C@H](O)C(F)F)CC1 ZINC000449421592 362705899 /nfs/dbraw/zinc/70/58/99/362705899.db2.gz JCCFPWZIEJOXPM-NEPJUHHUSA-N 2 0 264.360 1.855 10 0 CDAERP COCC[C@](C)(O)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623421686 346419926 /nfs/dbraw/zinc/41/99/26/346419926.db2.gz VYSJGMHKAABQOS-JSGCOSHPSA-N 2 0 258.406 1.236 10 0 CDAERP CC(C)[NH+](CCn1cnc2c1CC[NH2+]C2)C(C)C ZINC000085567009 179095475 /nfs/dbraw/zinc/09/54/75/179095475.db2.gz GRFSNFRWJAWTIJ-UHFFFAOYSA-N 2 0 250.390 1.648 10 0 CDAERP CCCc1nc2c(n1C[C@@H]1CC[N@H+](CC)C1)CC[NH2+]C2 ZINC000085570496 179096440 /nfs/dbraw/zinc/09/64/40/179096440.db2.gz UJRULLAPFUCCAS-CYBMUJFWSA-N 2 0 276.428 1.823 10 0 CDAERP Cc1nc2c(n1CC[N@@H+](C)C1CCCC1)CC[NH2+]C2 ZINC000085571689 179097397 /nfs/dbraw/zinc/09/73/97/179097397.db2.gz GMBSMAVUTXHRRO-UHFFFAOYSA-N 2 0 262.401 1.712 10 0 CDAERP CC[NH+](CC)[C@@H](CNC(=O)C1C[NH2+]C1)c1ccsc1 ZINC000263346073 362783132 /nfs/dbraw/zinc/78/31/32/362783132.db2.gz ZARAAYMXZGXRRT-ZDUSSCGKSA-N 2 0 281.425 1.467 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC000635940028 362787864 /nfs/dbraw/zinc/78/78/64/362787864.db2.gz HOHZOIBEPIDHCD-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP C[NH2+][C@@H]1CCN(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)C1 ZINC000417537228 290813798 /nfs/dbraw/zinc/81/37/98/290813798.db2.gz RZPXNLFXOCLBKH-MGPQQGTHSA-N 2 0 282.432 1.253 10 0 CDAERP C1CCC2(C1)CN([C@@H]1CC[N@@H+]3CCCC[C@@H]13)CC[NH2+]2 ZINC000086144824 179237888 /nfs/dbraw/zinc/23/78/88/179237888.db2.gz NFYLPBHSJYHTHS-LSDHHAIUSA-N 2 0 263.429 1.831 10 0 CDAERP CC[C@H]1CN(C[C@@H]2CC[N@H+](C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086223145 179252432 /nfs/dbraw/zinc/25/24/32/179252432.db2.gz RHLJRTQOWDASHW-ILXRZTDVSA-N 2 0 253.434 1.647 10 0 CDAERP CCC1(CC)CN([C@@H]2CCC[N@H+](C)C2)[C@@H](C)C[NH2+]1 ZINC000086223969 179253078 /nfs/dbraw/zinc/25/30/78/179253078.db2.gz VFWIKUBSUYGWFK-UONOGXRCSA-N 2 0 253.434 1.933 10 0 CDAERP CC[C@@H]1C[NH2+][C@H](C2CC2)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086259623 179258614 /nfs/dbraw/zinc/25/86/14/179258614.db2.gz PIDRQHLRXZCVSB-BMFZPTHFSA-N 2 0 263.429 1.686 10 0 CDAERP CCCN(CC[NH+]1CCCCC1)C(=O)NC/C=C/C[NH3+] ZINC000641867838 365952202 /nfs/dbraw/zinc/95/22/02/365952202.db2.gz WAUDJOWOSQUVSK-SNAWJCMRSA-N 2 0 282.432 1.409 10 0 CDAERP CC[C@@H](C(=O)N(C)CC1C[NH+](C)C1)[NH+](CC)CC ZINC000618193021 349395551 /nfs/dbraw/zinc/39/55/51/349395551.db2.gz GUOOGZHJDZGVIY-ZDUSSCGKSA-N 2 0 255.406 1.127 10 0 CDAERP CCO[C@H](C[NH+]1CCC([NH2+]CCOC)CC1)C1CC1 ZINC000629536672 362951437 /nfs/dbraw/zinc/95/14/37/362951437.db2.gz IJIJNMRNLKIKSZ-OAHLLOKOSA-N 2 0 270.417 1.502 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000620969569 350388812 /nfs/dbraw/zinc/38/88/12/350388812.db2.gz CTFUWMLQINBIJU-OAHLLOKOSA-N 2 0 299.459 1.288 10 0 CDAERP CC[NH2+]CC1CC[NH+](CCc2ccnn2CC)CC1 ZINC000621774141 350771303 /nfs/dbraw/zinc/77/13/03/350771303.db2.gz LLHWGYLKGSCEQA-UHFFFAOYSA-N 2 0 264.417 1.767 10 0 CDAERP O[C@@H](C[NH2+]CCc1ccc2ccccc2n1)C[NH+]1CCCC1 ZINC000629558336 362998826 /nfs/dbraw/zinc/99/88/26/362998826.db2.gz GAYVIBXCIACLAO-KRWDZBQOSA-N 2 0 299.418 1.824 10 0 CDAERP COCC[N@H+](C)CCC[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000623861748 351305710 /nfs/dbraw/zinc/30/57/10/351305710.db2.gz BSVCRPUEXDZSFW-ZIAGYGMSSA-N 2 0 258.406 1.502 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H]1CCCN1C ZINC000623786392 351277705 /nfs/dbraw/zinc/27/77/05/351277705.db2.gz NMRCPGLRMQQHCP-INIZCTEOSA-N 2 0 285.395 1.760 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)[C@@H]1CCc2ccc(F)cc21 ZINC000629571741 363027335 /nfs/dbraw/zinc/02/73/35/363027335.db2.gz PXIGSCXSVWRGJE-OAHLLOKOSA-N 2 0 266.360 1.981 10 0 CDAERP CC(C)[C@H](C)NC(=O)CN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584042 363038988 /nfs/dbraw/zinc/03/89/88/363038988.db2.gz KJSSTPYRNBDCIA-AEGPPILISA-N 2 0 267.417 1.079 10 0 CDAERP COc1ccc([C@@H]2CCN(C[C@@H](C)[NH3+])C2)cc1F ZINC000629588418 363061957 /nfs/dbraw/zinc/06/19/57/363061957.db2.gz HJHWFXWUMQMZRG-ZYHUDNBSSA-N 2 0 252.333 1.971 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000333894855 363209793 /nfs/dbraw/zinc/20/97/93/363209793.db2.gz YWIAYESRHJOMQK-IUODEOHRSA-N 2 0 294.443 1.158 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC[NH2+]1 ZINC000629669423 363308776 /nfs/dbraw/zinc/30/87/76/363308776.db2.gz XMKWFSHUIXJTKT-TUVASFSCSA-N 3 0 251.418 1.306 10 0 CDAERP CCC1CCC([N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000063178612 363323496 /nfs/dbraw/zinc/32/34/96/363323496.db2.gz KRCHQJFRMZZCRK-SLTAFYQDSA-N 2 0 281.444 1.742 10 0 CDAERP CC1(C)Cc2cccc(C[NH2+]CCOCCC[NH3+])c2O1 ZINC000629679734 363329884 /nfs/dbraw/zinc/32/98/84/363329884.db2.gz NHARRANVWYJLTO-UHFFFAOYSA-N 2 0 278.396 1.855 10 0 CDAERP Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H]1CCCC[NH2+]C1 ZINC000643545404 356001765 /nfs/dbraw/zinc/00/17/65/356001765.db2.gz LVUCNTOTAKSQHR-OCCSQVGLSA-N 2 0 262.401 1.641 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2(C)OCCO2)[C@H]2CCC[C@H]21 ZINC000368610525 283134280 /nfs/dbraw/zinc/13/42/80/283134280.db2.gz ALASMYOKKDUGTF-FRRDWIJNSA-N 2 0 254.374 1.212 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCC[C@@H]2O)[C@@H]2CCC[C@H]21 ZINC000453378716 283138676 /nfs/dbraw/zinc/13/86/76/283138676.db2.gz ZOFXPPNEEUBPAX-CWVYHPPDSA-N 2 0 266.429 2.000 10 0 CDAERP CN(Cc1ccccc1)C[C@H](O)C[NH2+]CC1=CCOCC1 ZINC000644657628 366320102 /nfs/dbraw/zinc/32/01/02/366320102.db2.gz CUTCYDCIFOYKSY-QGZVFWFLSA-N 2 0 290.407 1.416 10 0 CDAERP [NH3+]CCC[NH2+]CCCCCCCC[NH2+]CCC[NH3+] ZINC000013650029 356687529 /nfs/dbraw/zinc/68/75/29/356687529.db2.gz RUGADNXSCZSZJP-UHFFFAOYSA-N 4 0 258.454 1.204 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106915021 357286857 /nfs/dbraw/zinc/28/68/57/357286857.db2.gz LEKHPJAACQKXLJ-MRXNPFEDSA-N 2 0 291.439 1.616 10 0 CDAERP CC[N@@H+]1CC[C@@H](CNC(=O)CN(C)Cc2ccccc2)C1 ZINC000107886984 357370290 /nfs/dbraw/zinc/37/02/90/357370290.db2.gz AKLFLLURBPPSSO-INIZCTEOSA-N 2 0 289.423 1.576 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[NH+](CC)C[C@@H]2C)CC[N@@H+]1C ZINC000632216837 357496808 /nfs/dbraw/zinc/49/68/08/357496808.db2.gz NUKQDYFQVWDNOH-CBBWQLFWSA-N 2 0 281.444 1.658 10 0 CDAERP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[NH2+]C2)[C@@H]1C ZINC000423573124 291123574 /nfs/dbraw/zinc/12/35/74/291123574.db2.gz YWKDEYLWHSZZRA-RQJABVFESA-N 2 0 268.401 1.696 10 0 CDAERP CC[C@H]1CC[N@@H+]1C[C@H](O)CN(C)Cc1ccccc1 ZINC000644786802 358064691 /nfs/dbraw/zinc/06/46/91/358064691.db2.gz LJRAPWQJJVQCDB-JKSUJKDBSA-N 2 0 262.397 1.964 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000336038228 283333703 /nfs/dbraw/zinc/33/37/03/283333703.db2.gz WPXUQXUASGXQSH-WBVHZDCISA-N 2 0 293.455 1.805 10 0 CDAERP CN1CCCC[C@@H]([N@H+](C)CCCn2ccnc2)C1=O ZINC000634742832 358190851 /nfs/dbraw/zinc/19/08/51/358190851.db2.gz ZFHOGMPJYITRKD-CYBMUJFWSA-N 2 0 264.373 1.216 10 0 CDAERP C[C@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]([NH3+])c1ccccc1 ZINC000130239209 358303217 /nfs/dbraw/zinc/30/32/17/358303217.db2.gz DSKMTOLMXSZVMJ-NUEKZKHPSA-N 2 0 287.407 1.629 10 0 CDAERP C[NH+]1CCC(Cc2[nH+]c(CC(N)=O)c3ccccn32)CC1 ZINC000087493503 358344719 /nfs/dbraw/zinc/34/47/19/358344719.db2.gz ZAUFDFNTXJFPRR-UHFFFAOYSA-N 2 0 286.379 1.246 10 0 CDAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H]3CN(C)C[C@@H]32)CC1 ZINC000644730058 366443017 /nfs/dbraw/zinc/44/30/17/366443017.db2.gz UCBUPZNYMRUINB-IRXDYDNUSA-N 2 0 294.487 1.038 10 0 CDAERP C[N@H+](CCO)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000177710622 366456337 /nfs/dbraw/zinc/45/63/37/366456337.db2.gz HLCISVVFBXDVRO-QGZVFWFLSA-N 2 0 292.423 1.356 10 0 CDAERP CC(C)[N@H+](C)CC1CCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000091542341 358420911 /nfs/dbraw/zinc/42/09/11/358420911.db2.gz LMEJYNMBSUILDK-GJZGRUSLSA-N 2 0 281.444 1.693 10 0 CDAERP CN(CC1CC[NH+](C)CC1)C(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634772036 358533525 /nfs/dbraw/zinc/53/35/25/358533525.db2.gz SEJVQCBLLSITEG-HOCLYGCPSA-N 2 0 279.428 1.176 10 0 CDAERP CC[NH+](CC)CCCNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054290259 358710808 /nfs/dbraw/zinc/71/08/08/358710808.db2.gz NFOSMUFLVUUFNK-CYBMUJFWSA-N 2 0 255.406 1.224 10 0 CDAERP CC(C)C[C@@H](CNC(=O)C[C@H]1CCC[NH2+]C1)[NH+](C)C ZINC000054308744 358711951 /nfs/dbraw/zinc/71/19/51/358711951.db2.gz PLKYYBOAGNXYPQ-KGLIPLIRSA-N 2 0 269.433 1.469 10 0 CDAERP C[NH+](C)CC(C)(C)CNC(=O)c1ccccc1CC[NH3+] ZINC000070551572 358968828 /nfs/dbraw/zinc/96/88/28/358968828.db2.gz UCEYDBKHNDQYBT-UHFFFAOYSA-N 2 0 277.412 1.505 10 0 CDAERP C([NH2+][C@H]1CCC[C@H]1[C@@H]1COCCN1)C1(C2CC2)CC1 ZINC000261890259 359078583 /nfs/dbraw/zinc/07/85/83/359078583.db2.gz GJPJSUKVHODBAI-ILXRZTDVSA-N 2 0 264.413 1.923 10 0 CDAERP CCCC(=O)NC[C@@H]1CCC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261954900 359102797 /nfs/dbraw/zinc/10/27/97/359102797.db2.gz GOPVADVDTFYZSC-HOCLYGCPSA-N 2 0 281.444 1.614 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC[NH2+]1 ZINC000262332770 359160508 /nfs/dbraw/zinc/16/05/08/359160508.db2.gz FROWKSOLCUWYQP-ZDEQEGDKSA-N 2 0 253.390 1.008 10 0 CDAERP CCC[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309704150 359300721 /nfs/dbraw/zinc/30/07/21/359300721.db2.gz HDCMHBSJVJABFG-HOTGVXAUSA-N 2 0 289.423 1.752 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000572423908 359377584 /nfs/dbraw/zinc/37/75/84/359377584.db2.gz RFQOVEYDGVEWGQ-GJZGRUSLSA-N 3 0 253.434 1.968 10 0 CDAERP C[NH+](C)CCCC1CC[NH+](CC2(O)CCC2)CC1 ZINC000347557574 359436562 /nfs/dbraw/zinc/43/65/62/359436562.db2.gz BKZFULOLMHVXGU-UHFFFAOYSA-N 2 0 254.418 1.955 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCCC[NH+](CCF)C2CC2)CC[N@@H+]1C ZINC001660716310 1172263133 /nfs/dbraw/zinc/26/31/33/1172263133.db2.gz SEBKIFLANWBCCI-KBPBESRZSA-N 2 0 299.434 1.657 10 0 CDAERP COC(C)(C)CC[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000336828055 359902495 /nfs/dbraw/zinc/90/24/95/359902495.db2.gz RQYMBJBXIZOVSG-UHFFFAOYSA-N 2 0 285.476 1.759 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](C[C@H](O)CN(C)C2CC2)CC1 ZINC000336847758 359917494 /nfs/dbraw/zinc/91/74/94/359917494.db2.gz GFGMWDGJCQWMNX-QGZVFWFLSA-N 2 0 297.487 1.495 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)c2cccnc2)[C@@H]2CCC[C@H]21 ZINC000348233200 359964636 /nfs/dbraw/zinc/96/46/36/359964636.db2.gz USCXVOJVMBKOHP-LTIDMASMSA-N 2 0 289.423 1.620 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1C[C@@]1(F)c1ccccc1 ZINC000424375338 360028097 /nfs/dbraw/zinc/02/80/97/360028097.db2.gz MVAAUWHDZIPNCY-SOUVJXGZSA-N 2 0 266.360 1.967 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@@]1(F)c1ccccc1 ZINC000424375336 360028202 /nfs/dbraw/zinc/02/82/02/360028202.db2.gz MVAAUWHDZIPNCY-RRFJBIMHSA-N 2 0 266.360 1.967 10 0 CDAERP [NH3+]Cc1ccc(CNC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000335350212 359999568 /nfs/dbraw/zinc/99/95/68/359999568.db2.gz RJFIFUDAGAUUSL-CABCVRRESA-N 2 0 288.395 1.039 10 0 CDAERP [NH3+][C@H](CCC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000514924713 360402330 /nfs/dbraw/zinc/40/23/30/360402330.db2.gz PHNUTZRPMIUUOK-JKSUJKDBSA-N 2 0 287.407 1.820 10 0 CDAERP CC[NH+]1CCC(C[NH2+][C@H]2CCCS(=O)(=O)CC2)CC1 ZINC000634959327 360553342 /nfs/dbraw/zinc/55/33/42/360553342.db2.gz NOLDCIJSNUVPRA-AWEZNQCLSA-N 2 0 288.457 1.275 10 0 CDAERP C[C@H]1CC[C@@H](NC(=O)NCCC[NH+]2CCCCC2)C[NH2+]1 ZINC000626925980 360642580 /nfs/dbraw/zinc/64/25/80/360642580.db2.gz VVSRAFKGOVZFHF-UONOGXRCSA-N 2 0 282.432 1.302 10 0 CDAERP C[NH+](C)CCC1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634992160 360619220 /nfs/dbraw/zinc/61/92/20/360619220.db2.gz GFVPYIRZCASIIE-UHFFFAOYSA-N 2 0 251.418 1.402 10 0 CDAERP C(N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C12CC(C1)C[NH2+]2 ZINC000634992981 360627027 /nfs/dbraw/zinc/62/70/27/360627027.db2.gz IDZAEODIGGWGGN-HTUOJYHCSA-N 2 0 275.440 1.687 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000626941219 360673068 /nfs/dbraw/zinc/67/30/68/360673068.db2.gz ZTRUTEUZLFOCOX-DGAVXFQQSA-N 2 0 280.416 1.053 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)C(C)(C)N2CCOCC2)CC[N@@H+]1C ZINC000338184513 360752753 /nfs/dbraw/zinc/75/27/53/360752753.db2.gz CAMLTNZSOZEMTO-KGLIPLIRSA-N 2 0 297.443 1.038 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1C1CCCCC1 ZINC000628546415 360735770 /nfs/dbraw/zinc/73/57/70/360735770.db2.gz WLXGSNSGPGSKMQ-HNNXBMFYSA-N 2 0 281.444 1.851 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000417856121 360784988 /nfs/dbraw/zinc/78/49/88/360784988.db2.gz RWUSMMOWHCSDJY-SYQHCUMBSA-N 2 0 282.432 1.156 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000417221073 296022220 /nfs/dbraw/zinc/02/22/20/296022220.db2.gz NDFGOOGMRMJOTR-XJFOESAGSA-N 2 0 298.475 1.778 10 0 CDAERP O[C@@H](C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)CC1(O)CCC1 ZINC000528387139 361184756 /nfs/dbraw/zinc/18/47/56/361184756.db2.gz LGPFPJIPDQUQCY-HUUCEWRRSA-N 2 0 282.428 1.070 10 0 CDAERP Cc1nn(C)c(C)c1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339076056 361267779 /nfs/dbraw/zinc/26/77/79/361267779.db2.gz RLTJHPAKPHRROU-LSDHHAIUSA-N 2 0 276.428 1.796 10 0 CDAERP CC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000360857342 363828825 /nfs/dbraw/zinc/82/88/25/363828825.db2.gz QEQRQBWSICNVII-YNEHKIRRSA-N 2 0 255.406 1.268 10 0 CDAERP COc1cncc(C[NH2+]CCCN(C)CC[NH+](C)C)c1C ZINC000631180833 364020455 /nfs/dbraw/zinc/02/04/55/364020455.db2.gz VUIPIZBTZUYVPT-UHFFFAOYSA-N 2 0 294.443 1.372 10 0 CDAERP C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1cn2cccnc2n1 ZINC000459552142 364249092 /nfs/dbraw/zinc/24/90/92/364249092.db2.gz RPUWKASECZCJOK-GXTWGEPZSA-N 2 0 273.384 1.501 10 0 CDAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nccn1CC ZINC000175040868 364316718 /nfs/dbraw/zinc/31/67/18/364316718.db2.gz YPDMIZLZXCIYKC-ZIAGYGMSSA-N 2 0 262.401 1.962 10 0 CDAERP [NH3+]CCC[C@@H]([NH3+])c1cc2c(cc1Br)OCO2 ZINC000575439335 364992382 /nfs/dbraw/zinc/99/23/82/364992382.db2.gz RXGZVVNRWLJZIH-SECBINFHSA-N 2 0 287.157 1.917 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@@H](O)C[C@H]1C ZINC000471813297 364994332 /nfs/dbraw/zinc/99/43/32/364994332.db2.gz YLDXKNCCLQUUSH-ABAIWWIYSA-N 2 0 272.352 1.531 10 0 CDAERP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@H]1C[C@H]1C ZINC000414125699 241078102 /nfs/dbraw/zinc/07/81/02/241078102.db2.gz QINYQXAQPUMAAX-RQJABVFESA-N 2 0 267.417 1.208 10 0 CDAERP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)cc1OC ZINC000400393479 366953472 /nfs/dbraw/zinc/95/34/72/366953472.db2.gz JKGBKPRCMNMDSH-WCQYABFASA-N 2 0 264.369 1.791 10 0 CDAERP C[C@@H]1C[C@@H](C[NH+]2CCN(CC(F)F)CC2)CC[NH2+]1 ZINC000414685720 241320751 /nfs/dbraw/zinc/32/07/51/241320751.db2.gz DMIYWTYXLKGTJU-NEPJUHHUSA-N 2 0 261.360 1.257 10 0 CDAERP CC(C)n1ccc(C[C@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)n1 ZINC000414827618 367029895 /nfs/dbraw/zinc/02/98/95/367029895.db2.gz HMZXGLAGJOZILE-UONOGXRCSA-N 2 0 264.417 1.984 10 0 CDAERP COc1ccc(OC)c(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000415041834 241530630 /nfs/dbraw/zinc/53/06/30/241530630.db2.gz QEPDCDHIISPVDC-DGCLKSJQSA-N 2 0 264.369 1.921 10 0 CDAERP CCC[NH+]1CCC(C(=O)N2CC[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000236767997 367270404 /nfs/dbraw/zinc/27/04/04/367270404.db2.gz JVNJGTBHAGYTMB-JSGCOSHPSA-N 2 0 267.417 1.447 10 0 CDAERP C[C@H]1CC[C@H](NC(=O)NCc2ccc(C[NH3+])cc2)C[NH2+]1 ZINC000627108673 367455461 /nfs/dbraw/zinc/45/54/61/367455461.db2.gz LVUCTPGGKPLCNA-FZMZJTMJSA-N 2 0 276.384 1.085 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000627111586 367462625 /nfs/dbraw/zinc/46/26/25/367462625.db2.gz CJQAMKYKAIJXNK-YJNKXOJESA-N 2 0 294.443 1.443 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000627167044 367601035 /nfs/dbraw/zinc/60/10/35/367601035.db2.gz UQNPDTFDNVRPEH-MELADBBJSA-N 2 0 282.432 1.253 10 0 CDAERP CCC(CC)[C@H](CNC(=O)N[C@H](C)[C@H](C)[NH3+])[NH+]1CCCC1 ZINC000416958500 242241931 /nfs/dbraw/zinc/24/19/31/242241931.db2.gz PBXPHTIAAWTYAU-GUTXKFCHSA-N 2 0 298.475 1.922 10 0 CDAERP CN(C(=O)NC[C@H]1CCC[N@@H+]1C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417285258 242399924 /nfs/dbraw/zinc/39/99/24/242399924.db2.gz LEQVUVSWSWCTEA-RBKKPWLPSA-N 2 0 280.416 1.005 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC[NH+]2CCC1CC2 ZINC000358417870 367670624 /nfs/dbraw/zinc/67/06/24/367670624.db2.gz FQYXNGUTFGGPFI-AWEZNQCLSA-N 2 0 296.459 1.596 10 0 CDAERP C[C@H]1CC[C@H](NC(=O)N(C)CC2CC[NH+](C)CC2)C[NH2+]1 ZINC000627195554 367682220 /nfs/dbraw/zinc/68/22/20/367682220.db2.gz CAWBOJPBFCZHKC-JSGCOSHPSA-N 2 0 282.432 1.110 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C[NH2+]1 ZINC000627198144 367688324 /nfs/dbraw/zinc/68/83/24/367688324.db2.gz RTRRMKMKYLPFEI-KFWWJZLASA-N 2 0 294.443 1.397 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)N2CC[NH+](C3CCC3)CC2)C[NH2+]1 ZINC000627198933 367689044 /nfs/dbraw/zinc/68/90/44/367689044.db2.gz PETVUBXBWTZGNZ-CHWSQXEVSA-N 2 0 280.416 1.007 10 0 CDAERP CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627202693 367695255 /nfs/dbraw/zinc/69/52/55/367695255.db2.gz SFHIWTRZGROISJ-QWHCGFSZSA-N 2 0 270.421 1.109 10 0 CDAERP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627203710 367697904 /nfs/dbraw/zinc/69/79/04/367697904.db2.gz PLMAIAGRRBUIRB-HUUCEWRRSA-N 2 0 296.459 1.644 10 0 CDAERP [NH3+]C1(CNC(=O)NC[C@H]2CCC[NH2+]2)CCCCCC1 ZINC000418280230 242887562 /nfs/dbraw/zinc/88/75/62/242887562.db2.gz AHYFZTHAMIFPQB-GFCCVEGCSA-N 2 0 268.405 1.089 10 0 CDAERP [NH3+]C[C@H]1CC[C@H](NC(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000418283799 242891859 /nfs/dbraw/zinc/89/18/59/242891859.db2.gz LIMCOAQLKKRSNY-STQMWFEESA-N 2 0 282.432 1.465 10 0 CDAERP C[NH2+]CCCNC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000418313192 242930582 /nfs/dbraw/zinc/93/05/82/242930582.db2.gz VIPNPCUQMXFRQT-NSHDSACASA-N 2 0 264.373 1.115 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000418389193 243017637 /nfs/dbraw/zinc/01/76/37/243017637.db2.gz WAGQPWASDUHJQW-HNNXBMFYSA-N 2 0 296.459 1.502 10 0 CDAERP [NH3+][C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000418442316 243082853 /nfs/dbraw/zinc/08/28/53/243082853.db2.gz DINDBIAECORJMG-QLFBSQMISA-N 2 0 288.395 1.222 10 0 CDAERP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CCC1C[NH2+]C1 ZINC000638122299 368511789 /nfs/dbraw/zinc/51/17/89/368511789.db2.gz ONYVIKGDVMYKMY-JSGCOSHPSA-N 2 0 265.401 1.071 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638121892 368513019 /nfs/dbraw/zinc/51/30/19/368513019.db2.gz NKBYULCKHUCBCX-BNOWGMLFSA-N 2 0 263.385 1.119 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)C1 ZINC000567289504 370945289 /nfs/dbraw/zinc/94/52/89/370945289.db2.gz MDNJNTFQLMXIPD-QLFBSQMISA-N 2 0 279.428 1.413 10 0 CDAERP CN(CCC(=O)NC[C@@H]1CCC[N@H+](C)C1)c1cc[nH+]cc1 ZINC000542785301 368822097 /nfs/dbraw/zinc/82/20/97/368822097.db2.gz NLKIGPJWSYHODX-AWEZNQCLSA-N 2 0 290.411 1.366 10 0 CDAERP CC(C)[NH+](CCNC(=O)NCCC1(C[NH3+])CC1)C(C)C ZINC000652118026 412776673 /nfs/dbraw/zinc/77/66/73/412776673.db2.gz LNEXBWHGPRRBBC-UHFFFAOYSA-N 2 0 284.448 1.533 10 0 CDAERP Cc1nccn1CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000290340308 369875960 /nfs/dbraw/zinc/87/59/60/369875960.db2.gz IBOQBSRVRFRIJD-OAHLLOKOSA-N 2 0 296.390 1.520 10 0 CDAERP CC[C@](C)(O)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000249173655 370128210 /nfs/dbraw/zinc/12/82/10/370128210.db2.gz YARVNYFPINAIJU-ZFWWWQNUSA-N 2 0 272.433 1.172 10 0 CDAERP [NH3+][C@H](C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000371235396 370220112 /nfs/dbraw/zinc/22/01/12/370220112.db2.gz KAWGLGARPGSDBC-OAGGEKHMSA-N 2 0 287.407 1.677 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2C[NH+](C)C)C1 ZINC000565179179 370372760 /nfs/dbraw/zinc/37/27/60/370372760.db2.gz DVLUZPGWSCMKEC-ZIAGYGMSSA-N 2 0 267.417 1.271 10 0 CDAERP OC1(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CCOCC1 ZINC000372175767 370463814 /nfs/dbraw/zinc/46/38/14/370463814.db2.gz MEYYTCOTSYUGSX-GDBMZVCRSA-N 2 0 294.439 1.477 10 0 CDAERP [NH3+]C[C@H]1CC[C@@H](NC(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000418283797 370467337 /nfs/dbraw/zinc/46/73/37/370467337.db2.gz LIMCOAQLKKRSNY-QWHCGFSZSA-N 2 0 282.432 1.465 10 0 CDAERP C(CN1CCC2(CC[NH2+]2)CC1)C[NH+]1CCCCC1 ZINC000422639460 245148807 /nfs/dbraw/zinc/14/88/07/245148807.db2.gz SVZMWJOGGFPLRZ-UHFFFAOYSA-N 2 0 251.418 1.690 10 0 CDAERP C[N@H+](CCN[C@@H]1CCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000422700428 245158597 /nfs/dbraw/zinc/15/85/97/245158597.db2.gz GZIHKPKVAUAQGV-UKRRQHHQSA-N 2 0 253.434 1.968 10 0 CDAERP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000422766147 245229557 /nfs/dbraw/zinc/22/95/57/245229557.db2.gz LLSBSWAHNPVIOC-HUUCEWRRSA-N 2 0 291.439 1.734 10 0 CDAERP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cnccc1N ZINC000422870975 245356388 /nfs/dbraw/zinc/35/63/88/245356388.db2.gz YDYWOLAZNIJPJN-STQMWFEESA-N 2 0 280.416 1.502 10 0 CDAERP C[N@H+](CCOC[C@H]1CCCO1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000567892014 371185345 /nfs/dbraw/zinc/18/53/45/371185345.db2.gz KYGZVCKRKNUSNT-IZGVIRRGSA-N 2 0 268.401 1.397 10 0 CDAERP CC[N@H+](CCN[C@H](C)c1c[nH+]ccc1N)C(C)C ZINC000422884530 245369927 /nfs/dbraw/zinc/36/99/27/245369927.db2.gz XFMLSBHPPUPBFJ-GFCCVEGCSA-N 2 0 250.390 1.875 10 0 CDAERP C[C@H](C[C@@H]1COCC[NH2+]1)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000422888721 245374217 /nfs/dbraw/zinc/37/42/17/245374217.db2.gz NPDMKAHDDOVIQW-LVQVYYBASA-N 2 0 283.460 1.606 10 0 CDAERP CC1CCC(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CC1 ZINC000572702024 371278975 /nfs/dbraw/zinc/27/89/75/371278975.db2.gz ONPAWRLQYUUHFF-UYSNPLJNSA-N 2 0 283.460 1.011 10 0 CDAERP C[NH2+]C[C@H](C)C(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000378186015 371858762 /nfs/dbraw/zinc/85/87/62/371858762.db2.gz ZMVSLCZKDVYYPD-NSHDSACASA-N 2 0 261.369 1.280 10 0 CDAERP [NH3+]Cc1ccc2c(c1)CCCN2C(=O)C[NH2+]CC1CC1 ZINC000378190043 371860378 /nfs/dbraw/zinc/86/03/78/371860378.db2.gz MWBSGUQWKJUVCZ-UHFFFAOYSA-N 2 0 273.380 1.424 10 0 CDAERP CC[NH2+]CCNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000418316350 372093299 /nfs/dbraw/zinc/09/32/99/372093299.db2.gz JTBLHODBHRBPBU-AWEZNQCLSA-N 2 0 282.432 1.256 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CC2CC[NH+](C)CC2)C1 ZINC000171430732 372186357 /nfs/dbraw/zinc/18/63/57/372186357.db2.gz IBFIXHWOHWJMCW-OAHLLOKOSA-N 2 0 296.459 1.454 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N2CC[C@H]([NH+](C)C)C2)CC1 ZINC000173915060 372522765 /nfs/dbraw/zinc/52/27/65/372522765.db2.gz YPZWYKVHBPBEAD-HNNXBMFYSA-N 2 0 296.459 1.454 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174629816 372611754 /nfs/dbraw/zinc/61/17/54/372611754.db2.gz UBKNFPLMQIOMQS-GJZGRUSLSA-N 2 0 294.443 1.372 10 0 CDAERP C[C@H]1[NH2+]CCC[C@@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000333406781 205295512 /nfs/dbraw/zinc/29/55/12/205295512.db2.gz QSBVGILIDAKFHZ-SYAUCNOPSA-N 2 0 287.407 1.328 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)C2CC[NH2+]CC2)cc1 ZINC000581823326 373253171 /nfs/dbraw/zinc/25/31/71/373253171.db2.gz ZCYDMHYCYQMGOY-NSHDSACASA-N 2 0 261.369 1.322 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000341210079 373410183 /nfs/dbraw/zinc/41/01/83/373410183.db2.gz DWEGBKCCZWLFNP-HOTGVXAUSA-N 2 0 293.455 1.948 10 0 CDAERP CC(C)[NH+]1CCN(CCCN2CCC([NH+](C)C)CC2)CC1 ZINC000191436122 373490401 /nfs/dbraw/zinc/49/04/01/373490401.db2.gz PPOXZPWSGOTURI-UHFFFAOYSA-N 2 0 296.503 1.429 10 0 CDAERP COCCOCCOCCC[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631834569 373740411 /nfs/dbraw/zinc/74/04/11/373740411.db2.gz ADONQLTZHVOWFQ-HNNXBMFYSA-N 2 0 288.432 1.259 10 0 CDAERP C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2)C[C@H]1C[NH3+] ZINC000631839233 373767523 /nfs/dbraw/zinc/76/75/23/373767523.db2.gz CDFGZVRKVKIQCU-QWHCGFSZSA-N 2 0 261.369 1.542 10 0 CDAERP CCOc1ccccc1OCC[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631841784 373833282 /nfs/dbraw/zinc/83/32/82/373833282.db2.gz PNDHAYYKEXERMM-UONOGXRCSA-N 2 0 278.396 1.991 10 0 CDAERP C[C@@H]1CN(Cc2nc(-c3ccccc3)no2)C[C@H]1C[NH3+] ZINC000631842958 373885453 /nfs/dbraw/zinc/88/54/53/373885453.db2.gz HTHZKRKDLUWKCV-DGCLKSJQSA-N 2 0 272.352 1.763 10 0 CDAERP C[NH2+]CCc1ccccc1C(=O)N1CC[NH+]2CCC1CC2 ZINC000423762381 246042886 /nfs/dbraw/zinc/04/28/86/246042886.db2.gz TYWWBIFCHPGAOG-UHFFFAOYSA-N 2 0 287.407 1.369 10 0 CDAERP C[NH2+]CCC1CCN(C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652232329 541924341 /nfs/dbraw/zinc/92/43/41/541924341.db2.gz XCSGFHVCFOXOAF-UHFFFAOYSA-N 2 0 282.432 1.147 10 0 CDAERP CC(C)[C@@H](CNC(=O)NC/C=C/C[NH3+])[NH+]1CCC(C)CC1 ZINC000669279341 541936808 /nfs/dbraw/zinc/93/68/08/541936808.db2.gz AVENYBWADPNHEM-MBVDDHJVSA-N 2 0 296.459 1.557 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cncn1C(C)C ZINC000424145991 246354668 /nfs/dbraw/zinc/35/46/68/246354668.db2.gz ONZNZKKLAIJTSR-OAHLLOKOSA-N 2 0 282.432 1.910 10 0 CDAERP C[NH+](C)CCC(=O)N1CCCC[C@@H]1C[NH2+]CCCF ZINC001661946276 1172469251 /nfs/dbraw/zinc/46/92/51/1172469251.db2.gz HVBJZJNSNSGGEW-CYBMUJFWSA-N 2 0 273.396 1.268 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)CC[N@@H+]1C ZINC000633202597 375684692 /nfs/dbraw/zinc/68/46/92/375684692.db2.gz UNQLPRIEUBKLIS-XJFOESAGSA-N 2 0 267.417 1.268 10 0 CDAERP CC(C)[C@@H](CNC(=O)N[C@@H](C)[C@@H](C)[NH3+])[NH+]1CCC(C)CC1 ZINC000417011714 375716659 /nfs/dbraw/zinc/71/66/59/375716659.db2.gz STTOKUHRQLAXJN-QLFBSQMISA-N 2 0 298.475 1.778 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C)CCCC[NH3+] ZINC000417012192 375716746 /nfs/dbraw/zinc/71/67/46/375716746.db2.gz WGDNUWKCNAXDLI-CHWSQXEVSA-N 2 0 272.437 1.533 10 0 CDAERP C[C@H](CNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)C[NH+]1CCCC1 ZINC000417138352 375730032 /nfs/dbraw/zinc/73/00/32/375730032.db2.gz NVJYBJSJFXZUHU-ILXRZTDVSA-N 2 0 294.443 1.112 10 0 CDAERP C[C@H](CNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000417314412 375766130 /nfs/dbraw/zinc/76/61/30/375766130.db2.gz REXASKVAUCMNNE-ZNMIVQPWSA-N 2 0 296.459 1.404 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000137562552 375801881 /nfs/dbraw/zinc/80/18/81/375801881.db2.gz VRGCSRKACZQEJI-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP COC1(C[NH2+]C2CCC(C[NH+](C)C)CC2)CCOCC1 ZINC000428883992 247376290 /nfs/dbraw/zinc/37/62/90/247376290.db2.gz QLBUPIIXGFVRBC-UHFFFAOYSA-N 2 0 284.444 1.892 10 0 CDAERP CCCCOC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000195179313 375993336 /nfs/dbraw/zinc/99/33/36/375993336.db2.gz ZOTGJXWSHMNQMA-SJORKVTESA-N 2 0 298.471 1.972 10 0 CDAERP CCC[C@@](C)([NH3+])C(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000638975760 376322954 /nfs/dbraw/zinc/32/29/54/376322954.db2.gz PLCBKHROLPBVMV-CQSZACIVSA-N 2 0 269.433 1.837 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000417389108 376302915 /nfs/dbraw/zinc/30/29/15/376302915.db2.gz JRWTXLQPDJRMQU-DZGCQCFKSA-N 2 0 296.459 1.487 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CC[C@@H](C)C2)CC[N@@H+]1C ZINC000631583090 376385972 /nfs/dbraw/zinc/38/59/72/376385972.db2.gz PNKSZURGFPCSAD-HZSPNIEDSA-N 2 0 267.417 1.175 10 0 CDAERP C[NH+](C)CCc1nc2ccccc2c(N2CC[NH2+]CC2)n1 ZINC000004226441 376732890 /nfs/dbraw/zinc/73/28/90/376732890.db2.gz DVLXGIUWAUUDBS-UHFFFAOYSA-N 2 0 285.395 1.144 10 0 CDAERP C[C@H]1CN(Cc2cnn(C(C)(C)C)c2)C[C@H]1C[NH3+] ZINC000631836542 376681115 /nfs/dbraw/zinc/68/11/15/376681115.db2.gz BCMJHKDDSUSPLE-WCQYABFASA-N 2 0 250.390 1.665 10 0 CDAERP CCOc1ccc(OCC[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000631842887 376702414 /nfs/dbraw/zinc/70/24/14/376702414.db2.gz HCYBPTLIUVSMIP-ZIAGYGMSSA-N 2 0 278.396 1.991 10 0 CDAERP C[C@@H](C(=O)N(C)Cc1ccccc1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631843566 376705910 /nfs/dbraw/zinc/70/59/10/376705910.db2.gz PQTOPDJYMNFRGA-IJEWVQPXSA-N 2 0 289.423 1.560 10 0 CDAERP COc1ccc(OCCC[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000631844265 376708439 /nfs/dbraw/zinc/70/84/39/376708439.db2.gz WCFPGBLXGVPIIQ-ZIAGYGMSSA-N 2 0 278.396 1.991 10 0 CDAERP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000631874120 376763944 /nfs/dbraw/zinc/76/39/44/376763944.db2.gz XRYAJUKYNYPYSX-HUUCEWRRSA-N 2 0 254.418 1.859 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417445584 377159415 /nfs/dbraw/zinc/15/94/15/377159415.db2.gz HPOXXTFCFCYTNA-GXTWGEPZSA-N 2 0 282.432 1.253 10 0 CDAERP CC[NH+](CC)CC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000247912933 377176430 /nfs/dbraw/zinc/17/64/30/377176430.db2.gz APMSMNOCHGCNIX-RDJZCZTQSA-N 2 0 289.423 1.890 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCC1=CC[NH2+]CC1 ZINC000572134830 377737389 /nfs/dbraw/zinc/73/73/89/377737389.db2.gz CMJQFYGMPHOMSY-OKILXGFUSA-N 2 0 294.443 1.468 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000417533528 377868296 /nfs/dbraw/zinc/86/82/96/377868296.db2.gz MWFGUKGMZJJEPK-MJBXVCDLSA-N 2 0 282.432 1.301 10 0 CDAERP CCOC(=O)[C@@]1(COC)CCC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261778773 377901504 /nfs/dbraw/zinc/90/15/04/377901504.db2.gz NRFNXPBUDGOESG-CVEARBPZSA-N 2 0 298.427 1.278 10 0 CDAERP C[C@@H](O)C[NH+]1CCC(C[NH2+]Cc2ccco2)CC1 ZINC000069347509 378012298 /nfs/dbraw/zinc/01/22/98/378012298.db2.gz FUMVGVSHCOGOPM-GFCCVEGCSA-N 2 0 252.358 1.462 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000193300913 378288615 /nfs/dbraw/zinc/28/86/15/378288615.db2.gz XJPFFBPNRSFADN-CYBMUJFWSA-N 2 0 299.484 1.592 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000249985157 284721973 /nfs/dbraw/zinc/72/19/73/284721973.db2.gz SDPBUOCWROHAAL-XQLPTFJDSA-N 2 0 281.444 1.754 10 0 CDAERP COC1(C[C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)CCC1 ZINC000429515092 284733018 /nfs/dbraw/zinc/73/30/18/284733018.db2.gz ATLRNIYLZUCNLP-KGLIPLIRSA-N 2 0 270.417 1.380 10 0 CDAERP COC1(C[C@H](C)[NH2+]CCCN2CC[NH+](C)CC2)CCC1 ZINC000429361432 284734240 /nfs/dbraw/zinc/73/42/40/284734240.db2.gz DUJZGWLSLHHPMD-HNNXBMFYSA-N 2 0 283.460 1.561 10 0 CDAERP C[NH+](C)CCC[C@@H]1C[N@H+](CCCC2CC[NH2+]CC2)CCO1 ZINC000662327792 412899666 /nfs/dbraw/zinc/89/96/66/412899666.db2.gz VJVIDSLKUJDLES-QGZVFWFLSA-N 3 0 297.487 1.809 10 0 CDAERP CCN1CCO[C@@H](C(=O)N2CCC(CC)([NH+](C)C)CC2)C1 ZINC000634122226 379060042 /nfs/dbraw/zinc/06/00/42/379060042.db2.gz SRQDDBLBNOSSIW-CQSZACIVSA-N 2 0 297.443 1.040 10 0 CDAERP [NH3+][C@@H]1CCC[C@H](NC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000446412282 250292685 /nfs/dbraw/zinc/29/26/85/250292685.db2.gz HHHLNYUAIBMRNF-XJFOESAGSA-N 2 0 267.417 1.670 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCC[NH+]2CCCCC2)CC[N@@H+]1C ZINC000344184751 379310374 /nfs/dbraw/zinc/31/03/74/379310374.db2.gz WFHFECUWCGZMIV-KBPBESRZSA-N 2 0 267.417 1.319 10 0 CDAERP [NH3+]Cc1ccc(-c2noc([C@H](F)[C@H]3CC[NH2+]C3)n2)cc1 ZINC000634558406 379671925 /nfs/dbraw/zinc/67/19/25/379671925.db2.gz XOHWBLPNLNWRPK-NWDGAFQWSA-N 2 0 276.315 1.815 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC[N@@H+]1C ZINC000655917960 412921176 /nfs/dbraw/zinc/92/11/76/412921176.db2.gz CBDTZZHRXYCRGX-UTLUCORTSA-N 2 0 296.337 1.000 10 0 CDAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]CC3CC3)cc2)C1 ZINC000657595653 412925842 /nfs/dbraw/zinc/92/58/42/412925842.db2.gz RLVXVNLOTHZMGV-MRXNPFEDSA-N 2 0 260.381 1.753 10 0 CDAERP C[NH+](C)C1CCC(NC(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655931236 412940791 /nfs/dbraw/zinc/94/07/91/412940791.db2.gz HWCXMZFOZYPTCZ-RTBKNWGFSA-N 2 0 296.337 1.048 10 0 CDAERP COCC[N@H+](CCCn1ccnc1)[C@@H]1CCOC1 ZINC000490095179 253029757 /nfs/dbraw/zinc/02/97/57/253029757.db2.gz XAWKOONVRYXQMZ-CYBMUJFWSA-N 2 0 253.346 1.011 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H]2[NH2+]CCC2(C)C)cc1 ZINC000662425488 413004761 /nfs/dbraw/zinc/00/47/61/413004761.db2.gz DFNWEQINMKXEGE-FZMZJTMJSA-N 2 0 275.396 1.711 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000662442871 413022406 /nfs/dbraw/zinc/02/24/06/413022406.db2.gz SYFIOZGNCWUOBC-ZDUSSCGKSA-N 2 0 285.432 1.119 10 0 CDAERP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000120705626 285313490 /nfs/dbraw/zinc/31/34/90/285313490.db2.gz MAAVPPOBCGUUDE-HUUCEWRRSA-N 2 0 252.402 1.850 10 0 CDAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCC[NH3+] ZINC000398213371 390246786 /nfs/dbraw/zinc/24/67/86/390246786.db2.gz TWMGRDAGVCDHJR-GOEBONIOSA-N 2 0 261.413 1.835 10 0 CDAERP [NH3+][C@H]1CC[C@@H](C(=O)NCCC[NH+]2CCCCCC2)C1 ZINC000163608303 390416931 /nfs/dbraw/zinc/41/69/31/390416931.db2.gz QEICBNBJPQFFTB-KGLIPLIRSA-N 2 0 267.417 1.496 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C[NH3+])C2CC2)[C@H](C)C1 ZINC000418448982 285388785 /nfs/dbraw/zinc/38/87/85/285388785.db2.gz CUMAXQJBIXMJBU-XBFCOCLRSA-N 2 0 282.432 1.095 10 0 CDAERP C[C@@H]1C[N@@H+](CC2CCN(C(=O)CCC[NH3+])CC2)C[C@H](C)O1 ZINC000237663089 390866127 /nfs/dbraw/zinc/86/61/27/390866127.db2.gz BFJKASSJDGXBLJ-OKILXGFUSA-N 2 0 297.443 1.073 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC[NH+]2CCC1CC2 ZINC000336054713 390910468 /nfs/dbraw/zinc/91/04/68/390910468.db2.gz KFEXTGPKVMKYAB-CHWSQXEVSA-N 2 0 265.401 1.166 10 0 CDAERP C[C@@H]([NH3+])C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000158067311 390928013 /nfs/dbraw/zinc/92/80/13/390928013.db2.gz ZUWYDONMVUJQFT-OASPWFOLSA-N 2 0 281.787 1.549 10 0 CDAERP C[NH+](C)CC1CC[NH+](C[C@@H](O)CC(F)(F)F)CC1 ZINC000307931358 391021913 /nfs/dbraw/zinc/02/19/13/391021913.db2.gz BVWLBPPZYTUXAK-NSHDSACASA-N 2 0 268.323 1.573 10 0 CDAERP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2CCCSC2)CC1 ZINC000352632744 391171976 /nfs/dbraw/zinc/17/19/76/391171976.db2.gz HPWWAJORSSKFDN-CYBMUJFWSA-N 2 0 272.458 1.707 10 0 CDAERP Cc1noc(CCC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)n1 ZINC000647903211 391199525 /nfs/dbraw/zinc/19/95/25/391199525.db2.gz GXPXFPJCSNJJGQ-UONOGXRCSA-N 2 0 278.400 1.775 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000418022040 391332024 /nfs/dbraw/zinc/33/20/24/391332024.db2.gz KRQAQNGKGHQQAQ-RYUDHWBXSA-N 2 0 270.421 1.143 10 0 CDAERP CC1CCC([NH+]2CCN(C(=O)NCCC[NH3+])CC2)CC1 ZINC000418313637 391301468 /nfs/dbraw/zinc/30/14/68/391301468.db2.gz QYNHPDQTWUOXMT-UHFFFAOYSA-N 2 0 282.432 1.241 10 0 CDAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCC[NH3+] ZINC000418019529 391326179 /nfs/dbraw/zinc/32/61/79/391326179.db2.gz XOPJISXSHZWBJW-HIFRSBDPSA-N 2 0 290.411 1.155 10 0 CDAERP CCCN(C(=O)NCC[N@H+]1CC=C(C)CC1)[C@H]1CC[NH2+]C1 ZINC000418031433 391347436 /nfs/dbraw/zinc/34/74/36/391347436.db2.gz TXNUKGWVIKDXAT-HNNXBMFYSA-N 2 0 294.443 1.422 10 0 CDAERP CCCC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000109752627 391391943 /nfs/dbraw/zinc/39/19/43/391391943.db2.gz IDXMXGKRHBNIKJ-OAHLLOKOSA-N 2 0 253.434 1.888 10 0 CDAERP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(C[NH3+])cc1 ZINC000335477522 391438837 /nfs/dbraw/zinc/43/88/37/391438837.db2.gz OWYCOUMBVLHXGM-OAHLLOKOSA-N 2 0 275.396 1.558 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)C1 ZINC000417852733 391510180 /nfs/dbraw/zinc/51/01/80/391510180.db2.gz OHDUPSHDCGHGOO-YUELXQCFSA-N 2 0 294.443 1.395 10 0 CDAERP CC(C)[N@H+](C)CCN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@H]21 ZINC000353497574 391593520 /nfs/dbraw/zinc/59/35/20/391593520.db2.gz PMLFJABIFPJKTD-RRFJBIMHSA-N 2 0 253.434 1.789 10 0 CDAERP C[C@@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)[N@H+](C)C1CC1 ZINC000417552232 391653105 /nfs/dbraw/zinc/65/31/05/391653105.db2.gz QGGMVYFQSRJMMZ-MELADBBJSA-N 2 0 294.443 1.110 10 0 CDAERP c1ccc([C@H]([NH2+]C[C@H]2CC[NH2+]C2)[C@@H]2CCOC2)cc1 ZINC000647992204 391701455 /nfs/dbraw/zinc/70/14/55/391701455.db2.gz RGNUGAIATJULFO-IMJJTQAJSA-N 2 0 260.381 1.963 10 0 CDAERP COc1ccc(CN[C@@H]2CCCC[NH2+]C2)cc1O ZINC000415064394 391741439 /nfs/dbraw/zinc/74/14/39/391741439.db2.gz CMGUYZPKCMZMCA-GFCCVEGCSA-N 2 0 250.342 1.633 10 0 CDAERP COc1cc(C)c(C[NH2+][C@@H](C)CCC[NH3+])c(C)n1 ZINC000415018482 391724853 /nfs/dbraw/zinc/72/48/53/391724853.db2.gz GRVMUBXZDGQUGA-NSHDSACASA-N 2 0 251.374 1.924 10 0 CDAERP C[C@@H](C[NH2+]C[C@@H]1C[NH2+]CCCO1)Cc1ccccc1 ZINC000415028810 391729496 /nfs/dbraw/zinc/72/94/96/391729496.db2.gz AFMDFXAIJDBMSJ-ZBFHGGJFSA-N 2 0 262.397 1.833 10 0 CDAERP Cn1ncc(Br)c1C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415038318 391733362 /nfs/dbraw/zinc/73/33/62/391733362.db2.gz NATHALJNSBRUMG-BDAKNGLRSA-N 2 0 287.205 1.400 10 0 CDAERP C[C@@H]1C[C@@H](C[NH2+]C2CCC([NH+]3CCNCC3)CC2)CC[NH2+]1 ZINC000415053882 391737613 /nfs/dbraw/zinc/73/76/13/391737613.db2.gz MZEMZGWCTNHUOP-XNIRIUNOSA-N 3 0 294.487 1.181 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000417704711 391758990 /nfs/dbraw/zinc/75/89/90/391758990.db2.gz RDBWCVHATBZFOO-JHJVBQTASA-N 2 0 270.421 1.286 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000418197332 391797609 /nfs/dbraw/zinc/79/76/09/391797609.db2.gz JEXOSUAQPSXPJS-BFHYXJOUSA-N 2 0 284.448 1.404 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000649298928 391934288 /nfs/dbraw/zinc/93/42/88/391934288.db2.gz LWGITJDNNJMTKD-VXGBXAGGSA-N 2 0 291.386 1.324 10 0 CDAERP CC[C@H]1CCCCN1C(=O)CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000334980347 391990503 /nfs/dbraw/zinc/99/05/03/391990503.db2.gz OCTGZVAKZPZWIG-DOTOQJQBSA-N 2 0 293.455 1.853 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@H](CO)Cc1ccc(F)c(F)c1 ZINC000423068619 392314576 /nfs/dbraw/zinc/31/45/76/392314576.db2.gz CHURXEHTBLUIGY-DFBGVHRSSA-N 2 0 284.350 1.585 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NCC[N@H+](C)C1CCCCC1 ZINC000422704849 392251763 /nfs/dbraw/zinc/25/17/63/392251763.db2.gz QKQXPLLECLWIHG-UKRRQHHQSA-N 2 0 253.434 1.839 10 0 CDAERP CCC1(CC)[C@H]([NH2+][C@@H](CCC[NH3+])COC)C[C@@H]1OC ZINC000422941184 392272922 /nfs/dbraw/zinc/27/29/22/392272922.db2.gz ODZDWVJLAHNAFN-MJBXVCDLSA-N 2 0 272.433 1.924 10 0 CDAERP CN(C(=O)N[C@@H]1CC[NH2+]C12CCC2)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000529362789 392362481 /nfs/dbraw/zinc/36/24/81/392362481.db2.gz UKOJCNXSIPODKK-UONOGXRCSA-N 2 0 292.427 1.149 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)N[C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423140037 392379297 /nfs/dbraw/zinc/37/92/97/392379297.db2.gz MAWNXQGSPSWOMU-VNQPRFMTSA-N 2 0 283.460 1.463 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000423182315 392420317 /nfs/dbraw/zinc/42/03/17/392420317.db2.gz LNFPNPZSQMDSKV-HUUCEWRRSA-N 2 0 295.402 1.748 10 0 CDAERP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423190121 392430073 /nfs/dbraw/zinc/43/00/73/392430073.db2.gz RRHOHIHSKXEMOF-ZIAGYGMSSA-N 2 0 253.434 1.696 10 0 CDAERP C[C@H]([NH2+]CCC[NH3+])c1cccc(N2CCCS2(=O)=O)c1 ZINC000423197264 392435317 /nfs/dbraw/zinc/43/53/17/392435317.db2.gz YQROVJXYQXMJPA-LBPRGKRZSA-N 2 0 297.424 1.226 10 0 CDAERP C[C@@H]([NH3+])C[C@@H](C)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000423228831 392458167 /nfs/dbraw/zinc/45/81/67/392458167.db2.gz FJCHTNQZLRXIEP-VXGBXAGGSA-N 2 0 263.389 1.029 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]([NH+](C)C)CC2)C1 ZINC000568204434 392404190 /nfs/dbraw/zinc/40/41/90/392404190.db2.gz JRVJBBDPGZVVQE-ZIAGYGMSSA-N 2 0 267.417 1.271 10 0 CDAERP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000646483601 392489528 /nfs/dbraw/zinc/48/95/28/392489528.db2.gz GSLULIQLZIXTSF-QLFBSQMISA-N 2 0 281.444 1.802 10 0 CDAERP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C)[C@@H]1C ZINC000423403776 392554192 /nfs/dbraw/zinc/55/41/92/392554192.db2.gz SGEFHUTYVDCGHL-RGDJUOJXSA-N 2 0 268.401 1.552 10 0 CDAERP CC1CC[NH+](CCN(C)[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000493673748 392703711 /nfs/dbraw/zinc/70/37/11/392703711.db2.gz BKVIPNZBOLZMBX-MRXNPFEDSA-N 2 0 265.445 1.887 10 0 CDAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)Cn1cncn1 ZINC000517017683 392813233 /nfs/dbraw/zinc/81/32/33/392813233.db2.gz ZGTXETDKTYBSNV-HZSPNIEDSA-N 2 0 265.405 1.567 10 0 CDAERP Cn1cncc1CC[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000459357899 393112577 /nfs/dbraw/zinc/11/25/77/393112577.db2.gz MLBJXGVEXSHMRS-OAHLLOKOSA-N 2 0 276.428 1.626 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)[C@@H]1C ZINC000494890114 393122956 /nfs/dbraw/zinc/12/29/56/393122956.db2.gz DNJLDQDJHZDTAA-IIAWOOMASA-N 2 0 288.439 1.968 10 0 CDAERP CCc1nccn1[C@@H](C)CC(=O)N[C@H](C)Cn1ccnc1 ZINC000648736289 393222647 /nfs/dbraw/zinc/22/26/47/393222647.db2.gz PAQUWRFEULORFT-OLZOCXBDSA-N 2 0 289.383 1.798 10 0 CDAERP C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000250342691 393252743 /nfs/dbraw/zinc/25/27/43/393252743.db2.gz DFHNGDNPFGXQCD-SYQHCUMBSA-N 2 0 265.401 1.070 10 0 CDAERP CC1CC[NH+](CCCNC(=O)[C@]2(C)CCCC[NH2+]2)CC1 ZINC000136196335 393317473 /nfs/dbraw/zinc/31/74/73/393317473.db2.gz YBHRKIULOPSANF-INIZCTEOSA-N 2 0 281.444 1.757 10 0 CDAERP NC(=[NH2+])CCCC[NH+]1CCN(c2ccccn2)CC1 ZINC000049579657 134922478 /nfs/dbraw/zinc/92/24/78/134922478.db2.gz RUCNEAMPFRSNCT-UHFFFAOYSA-N 2 0 261.373 1.310 10 0 CDAERP CCN(C(=O)NCC[NH+](C)C1CC1)[C@H]1CC[N@H+](CC)C1 ZINC000664096166 413076840 /nfs/dbraw/zinc/07/68/40/413076840.db2.gz UYSWHIFRWPNUSL-AWEZNQCLSA-N 2 0 282.432 1.206 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000236851926 140246851 /nfs/dbraw/zinc/24/68/51/140246851.db2.gz XADHJIGAOKEAAR-ZIAGYGMSSA-N 2 0 267.417 1.352 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CC2=CCCOC2)[C@@H](C)C1 ZINC000245716379 140276603 /nfs/dbraw/zinc/27/66/03/140276603.db2.gz HBTRXSDNQLJHOK-DZGCQCFKSA-N 2 0 252.402 1.995 10 0 CDAERP Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247003055 140285634 /nfs/dbraw/zinc/28/56/34/140285634.db2.gz KSWBJMRDCOEPEP-SMDDNHRTSA-N 2 0 264.417 1.652 10 0 CDAERP C[C@]1(C[NH3+])CCN(CC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000261730295 140381219 /nfs/dbraw/zinc/38/12/19/140381219.db2.gz LBUGCLZWGVVDAA-CQSZACIVSA-N 2 0 283.322 1.574 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[C@@H]2C[NH3+])[C@@H](C)C1 ZINC000261817834 140393843 /nfs/dbraw/zinc/39/38/43/140393843.db2.gz SLBRDMCHQLRBEL-YJNKXOJESA-N 2 0 281.444 1.550 10 0 CDAERP CO[C@H](CC[NH2+][C@H]1CCC[C@H]([NH3+])C1)C(F)(F)F ZINC000656198828 413094770 /nfs/dbraw/zinc/09/47/70/413094770.db2.gz ZOFWBHVRIDNMCY-LPEHRKFASA-N 2 0 254.296 1.813 10 0 CDAERP CC(C)[NH2+]CC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000662563707 413131796 /nfs/dbraw/zinc/13/17/96/413131796.db2.gz QOWNRAORHBBWHW-UHFFFAOYSA-N 2 0 263.385 1.014 10 0 CDAERP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000390789855 397981363 /nfs/dbraw/zinc/98/13/63/397981363.db2.gz VRCNOYJYEUXODZ-CVEARBPZSA-N 2 0 287.407 1.234 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]C[C@H](F)CC ZINC001663968595 1172796009 /nfs/dbraw/zinc/79/60/09/1172796009.db2.gz UJCGROVYFAMNPE-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)NCC2CC[NH+](C)CC2)C1 ZINC000105174444 147215818 /nfs/dbraw/zinc/21/58/18/147215818.db2.gz TVWHKIHWOFSIHH-AWEZNQCLSA-N 2 0 282.432 1.112 10 0 CDAERP CC[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)[C@H]1CCOC1 ZINC000658110078 413209627 /nfs/dbraw/zinc/20/96/27/413209627.db2.gz ZQEOYGDOYOOCKC-HRCADAONSA-N 2 0 285.476 1.663 10 0 CDAERP CC[NH+](CC)CCN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000179290625 148104720 /nfs/dbraw/zinc/10/47/20/148104720.db2.gz MPRWOKVQTBHVCM-OAHLLOKOSA-N 2 0 253.434 1.888 10 0 CDAERP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccc2ccccc21 ZINC000262193211 149032472 /nfs/dbraw/zinc/03/24/72/149032472.db2.gz YYZJBQFLMRAUNF-GDBMZVCRSA-N 2 0 256.349 1.510 10 0 CDAERP C[C@H](CCNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+])[NH+](C)C ZINC000662633701 413231461 /nfs/dbraw/zinc/23/14/61/413231461.db2.gz OCKSOTHRVLAIFA-MGPQQGTHSA-N 2 0 269.433 1.741 10 0 CDAERP CC[C@@H](Cn1cncn1)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658353720 413232028 /nfs/dbraw/zinc/23/20/28/413232028.db2.gz QHNKGZOLANFVKP-INIZCTEOSA-N 2 0 291.443 1.768 10 0 CDAERP CC(C)n1ccnc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000334996189 150164183 /nfs/dbraw/zinc/16/41/83/150164183.db2.gz LKKHUNBMAQBFIB-OKILXGFUSA-N 2 0 262.401 1.895 10 0 CDAERP [NH3+]C[C@@H](C(=O)N1CC[NH+]2CCC1CC2)c1ccccc1 ZINC000335037783 150213542 /nfs/dbraw/zinc/21/35/42/150213542.db2.gz LAWNWNXZPVLKTM-OAHLLOKOSA-N 2 0 273.380 1.036 10 0 CDAERP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)N1CC[NH+]2CCC1CC2 ZINC000335039608 150215366 /nfs/dbraw/zinc/21/53/66/150215366.db2.gz UPMMCYWSOBJNAA-UKRRQHHQSA-N 2 0 265.401 1.201 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+]CC1CCCC1 ZINC001664396012 1172849086 /nfs/dbraw/zinc/84/90/86/1172849086.db2.gz YNLWHSVLRZNDAV-UHFFFAOYSA-N 2 0 269.433 1.565 10 0 CDAERP [NH3+]Cc1cc(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)co1 ZINC000335903990 151099117 /nfs/dbraw/zinc/09/91/17/151099117.db2.gz YTYXNZDISWKZTK-UHFFFAOYSA-N 2 0 289.310 1.775 10 0 CDAERP CC(C)C[C@H]([NH2+][C@H](C)C1CC1)C(=O)NCC[NH+](C)C ZINC000347217884 153452724 /nfs/dbraw/zinc/45/27/24/153452724.db2.gz BOWRJNONAHEARW-OCCSQVGLSA-N 2 0 269.433 1.467 10 0 CDAERP C[C@H]1C[C@H](C[NH+]2CCC(C[NH+]3CCOCC3)CC2)CCO1 ZINC000352728989 155395789 /nfs/dbraw/zinc/39/57/89/155395789.db2.gz UMCCDLOHPJRUKT-DOTOQJQBSA-N 2 0 296.455 1.846 10 0 CDAERP C[NH+](C)Cc1cccc(CNC(=O)CC2([NH3+])CC2)c1 ZINC000662672556 413289370 /nfs/dbraw/zinc/28/93/70/413289370.db2.gz BNDLKSNNISPOCR-UHFFFAOYSA-N 2 0 261.369 1.246 10 0 CDAERP Cc1ncc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cn1 ZINC000349145947 154060203 /nfs/dbraw/zinc/06/02/03/154060203.db2.gz GAWWMGDJTKOTNS-INIZCTEOSA-N 2 0 274.412 1.949 10 0 CDAERP CC[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000349810450 154224052 /nfs/dbraw/zinc/22/40/52/154224052.db2.gz ZTWFYJJDTXEUET-OAHLLOKOSA-N 2 0 294.443 1.349 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](Cc2cnc[nH]2)CC1 ZINC000350146909 154339950 /nfs/dbraw/zinc/33/99/50/154339950.db2.gz NREISGBQQRIFCQ-UHFFFAOYSA-N 2 0 250.390 1.964 10 0 CDAERP C[C@@H]1CC[N@@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC1(C)C ZINC000352326552 155096273 /nfs/dbraw/zinc/09/62/73/155096273.db2.gz JLBSKQVJOYAYOE-CHWSQXEVSA-N 2 0 295.427 1.044 10 0 CDAERP C[C@H](CNC(=O)c1cc(C(C)(C)[NH3+])no1)C[NH+]1CCCC1 ZINC000662686141 413309516 /nfs/dbraw/zinc/30/95/16/413309516.db2.gz BQTPCAOJGCLVKW-LLVKDONJSA-N 2 0 294.399 1.330 10 0 CDAERP O=C(C[C@@H]1CC[NH2+]C1)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000662686261 413311863 /nfs/dbraw/zinc/31/18/63/413311863.db2.gz LHFZZPOGGDOIOO-WFASDCNBSA-N 2 0 289.379 1.286 10 0 CDAERP [NH3+][C@H](C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)C1CCC1 ZINC000662687158 413314653 /nfs/dbraw/zinc/31/46/53/413314653.db2.gz UWGSKVUYDCWHTJ-CABCVRRESA-N 2 0 289.379 1.413 10 0 CDAERP CCOC[C@@H](O)C[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000354859828 156703268 /nfs/dbraw/zinc/70/32/68/156703268.db2.gz ZQJPCXMRUVIPSH-HNNXBMFYSA-N 2 0 272.433 1.438 10 0 CDAERP C[C@H]1C[C@H](NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C[N@@H+]1C1CC1 ZINC000654480883 413339477 /nfs/dbraw/zinc/33/94/77/413339477.db2.gz ASNHJKBTCHELNO-PWNZVWSESA-N 2 0 294.443 1.251 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCCC[NH+]1CCOCC1 ZINC000355408745 157034005 /nfs/dbraw/zinc/03/40/05/157034005.db2.gz IJJGWOAXMKGOIC-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CSC1(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000375058542 160340725 /nfs/dbraw/zinc/34/07/25/160340725.db2.gz JXOWWSZIFXUJOY-OAHLLOKOSA-N 2 0 297.512 1.984 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000417834368 286921182 /nfs/dbraw/zinc/92/11/82/286921182.db2.gz UYIGDTQGTBRLHM-NEPJUHHUSA-N 2 0 282.432 1.428 10 0 CDAERP Cc1ccc(C)c([C@H]([NH3+])CN2CCC[N@@H+](C)CC2)c1 ZINC000020260540 171116735 /nfs/dbraw/zinc/11/67/35/171116735.db2.gz DZLKOKYKXQZSFN-MRXNPFEDSA-N 2 0 261.413 1.941 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCCCN1CC[NH2+]CC1 ZINC000020270297 171126433 /nfs/dbraw/zinc/12/64/33/171126433.db2.gz KHYREQIHGZBABM-OAHLLOKOSA-N 2 0 253.434 1.936 10 0 CDAERP CN([C@@H](C[NH3+])c1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000022211491 171373705 /nfs/dbraw/zinc/37/37/05/171373705.db2.gz DNELTYGHUXXOON-HNNXBMFYSA-N 2 0 265.376 1.852 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)C1([NH3+])CCCC1 ZINC000653211235 412140264 /nfs/dbraw/zinc/14/02/64/412140264.db2.gz RHEUOGLVAPOLST-UHFFFAOYSA-N 2 0 261.369 1.294 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000653166762 412102247 /nfs/dbraw/zinc/10/22/47/412102247.db2.gz VCBXHUSWSQJAGI-AWEZNQCLSA-N 2 0 287.407 1.592 10 0 CDAERP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[C@H](C3CC3)[NH2+]1)C2 ZINC000653192403 412125599 /nfs/dbraw/zinc/12/55/99/412125599.db2.gz OHXULRCHYBYQNA-NHIYQJMISA-N 2 0 277.412 1.104 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000662811746 413531512 /nfs/dbraw/zinc/53/15/12/413531512.db2.gz BDXXJDWHMKDJMS-HRCADAONSA-N 2 0 295.471 1.988 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)N(CC)[C@H]1CC[NH+](C)C1 ZINC000664890468 413714061 /nfs/dbraw/zinc/71/40/61/413714061.db2.gz WBJXAZWXWZKINY-GJZGRUSLSA-N 2 0 296.459 1.596 10 0 CDAERP C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000664894922 413719845 /nfs/dbraw/zinc/71/98/45/413719845.db2.gz BHGJGPBNQCSRFJ-RYUDHWBXSA-N 2 0 270.421 1.109 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407271977 413914863 /nfs/dbraw/zinc/91/48/63/413914863.db2.gz PUNNGHCDQQFHNA-KGLIPLIRSA-N 2 0 267.417 1.317 10 0 CDAERP [NH3+]C1(CNC(=O)N2CCC(c3c[nH]cn3)CC2)CCCC1 ZINC000659572771 413986025 /nfs/dbraw/zinc/98/60/25/413986025.db2.gz HQDUGJMKBHPUOK-UHFFFAOYSA-N 2 0 291.399 1.570 10 0 CDAERP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CCCc2c1cnn2C ZINC000665281064 414019914 /nfs/dbraw/zinc/01/99/14/414019914.db2.gz SZMGFGVYTQEDCQ-OLZOCXBDSA-N 2 0 250.390 1.761 10 0 CDAERP CC(C)[C@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)N(C)C ZINC000037221298 173040191 /nfs/dbraw/zinc/04/01/91/173040191.db2.gz JGXLCGRAKCQGSV-ZFWWWQNUSA-N 2 0 255.450 1.893 10 0 CDAERP C(NC1=[NH+]CCCN1)[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663234461 414070136 /nfs/dbraw/zinc/07/01/36/414070136.db2.gz SSWMTTSZNOOQEU-ZDUSSCGKSA-N 2 0 250.390 1.047 10 0 CDAERP CO[C@@H](C[NH+]1CCC(C[NH+](C)C)CC1)[C@@H]1CCOC1 ZINC000659843537 414169887 /nfs/dbraw/zinc/16/98/87/414169887.db2.gz BLTOPELUDLHFEZ-CABCVRRESA-N 2 0 270.417 1.312 10 0 CDAERP O[C@@H]1CCC[C@@H](C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657374059 414239268 /nfs/dbraw/zinc/23/92/68/414239268.db2.gz IDYFZOBGKXIWMT-CZUORRHYSA-N 2 0 286.379 1.908 10 0 CDAERP CO[C@H](C[N@H+](C)C[C@H]1CCC[NH+](C)C1)[C@@H]1CCOC1 ZINC000659948782 414288302 /nfs/dbraw/zinc/28/83/02/414288302.db2.gz RGOHDRZWRLGACQ-RRFJBIMHSA-N 2 0 270.417 1.312 10 0 CDAERP c1n[nH]cc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657535178 414418956 /nfs/dbraw/zinc/41/89/56/414418956.db2.gz HRCITFNVAWNSOG-UHFFFAOYSA-N 2 0 278.400 1.390 10 0 CDAERP COC[C@H](CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)OC ZINC000657552145 414435538 /nfs/dbraw/zinc/43/55/38/414435538.db2.gz BDIGGTYNWQYHNR-MCIONIFRSA-N 2 0 256.390 1.254 10 0 CDAERP CN(Cc1cccc2c1CC[NH2+]C2)C1(C[NH3+])CCC1 ZINC000662274399 414604622 /nfs/dbraw/zinc/60/46/22/414604622.db2.gz TUEDCIJLKQTEDS-UHFFFAOYSA-N 2 0 259.397 1.646 10 0 CDAERP CCCCNC(=O)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294251 414620628 /nfs/dbraw/zinc/62/06/28/414620628.db2.gz JVHHCHJEAYDZPI-OAHLLOKOSA-N 2 0 281.444 1.614 10 0 CDAERP C[N@@H+](Cc1cccc2c1CC[NH2+]C2)C[C@H]1COCCO1 ZINC000662307754 414630044 /nfs/dbraw/zinc/63/00/44/414630044.db2.gz YTIHRGAPEHTRSY-HNNXBMFYSA-N 2 0 276.380 1.180 10 0 CDAERP COc1ccc([C@H](C[NH3+])C[N@@H+]2C[C@@H]3COC[C@]3(C)C2)cc1 ZINC000662310618 414631349 /nfs/dbraw/zinc/63/13/49/414631349.db2.gz LQIFCKQEQWJFPB-INMHGKMJSA-N 2 0 290.407 1.706 10 0 CDAERP O=C(CC[NH2+]C1CC1)N1CCC([NH+]2CCCC2)CC1 ZINC000038101762 174117783 /nfs/dbraw/zinc/11/77/83/174117783.db2.gz ICECIVPEIBQHQL-UHFFFAOYSA-N 2 0 265.401 1.215 10 0 CDAERP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)CCO1 ZINC000662322880 414640694 /nfs/dbraw/zinc/64/06/94/414640694.db2.gz JCKIBTPDCVMXSU-OWCLPIDISA-N 2 0 284.444 1.844 10 0 CDAERP C[C@H]1CCC[C@H](C)C1[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508077 174302860 /nfs/dbraw/zinc/30/28/60/174302860.db2.gz CGRZUBJCUKVMBO-SOUVJXGZSA-N 2 0 293.455 1.707 10 0 CDAERP CCC[NH+]1CCC(N2CCC[C@@H](C[NH2+]C)C2)CC1 ZINC000040591909 174347698 /nfs/dbraw/zinc/34/76/98/174347698.db2.gz LOVKZFCLFIFQTA-AWEZNQCLSA-N 2 0 253.434 1.792 10 0 CDAERP C[NH2+]C[C@H]1CCCN(CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000040601004 174351184 /nfs/dbraw/zinc/35/11/84/174351184.db2.gz QCBGAQHYYWQKBQ-CABCVRRESA-N 2 0 253.434 1.792 10 0 CDAERP [NH3+]C[C@@H](N1CCC([NH+]2CCCCC2)CC1)C(F)(F)F ZINC000040693603 174377186 /nfs/dbraw/zinc/37/71/86/174377186.db2.gz SBKGKGLDQCLRHX-GFCCVEGCSA-N 2 0 279.350 1.826 10 0 CDAERP [NH3+]C[C@H](C1CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000040693731 174377675 /nfs/dbraw/zinc/37/76/75/174377675.db2.gz VRVWCPWEXFRCBO-OAHLLOKOSA-N 2 0 251.418 1.674 10 0 CDAERP CC(C)[C@H](CNC(=O)CC[NH2+]C1CC1)[NH+]1CCCC1 ZINC000040831166 174412879 /nfs/dbraw/zinc/41/28/79/174412879.db2.gz KMDBURFNKUYYBM-AWEZNQCLSA-N 2 0 267.417 1.365 10 0 CDAERP CCC[NH+]1CCC([C@H](C)[NH2+][C@H](C)C(=O)NC)CC1 ZINC000042561317 174796560 /nfs/dbraw/zinc/79/65/60/174796560.db2.gz BTJJENNNAKUEQZ-NWDGAFQWSA-N 2 0 255.406 1.221 10 0 CDAERP CC[NH+]1CCC(N(C)[C@@H](c2cccnc2)[C@@H](C)[NH3+])CC1 ZINC000043348516 175018364 /nfs/dbraw/zinc/01/83/64/175018364.db2.gz CCMICZLQBCEZBU-CZUORRHYSA-N 2 0 276.428 1.886 10 0 CDAERP CCC[NH+]1CCC(C[NH3+])(N2CCO[C@H]3CCCC[C@@H]32)CC1 ZINC000043424938 175039955 /nfs/dbraw/zinc/03/99/55/175039955.db2.gz OOEDROMGPPWIFE-HOTGVXAUSA-N 2 0 295.471 1.833 10 0 CDAERP CC[NH+]1CCC(C[NH3+])(N2CCO[C@H]3CCC[C@@H]32)CC1 ZINC000043424643 175040206 /nfs/dbraw/zinc/04/02/06/175040206.db2.gz NVGGFBIDHMKJCB-KBPBESRZSA-N 2 0 267.417 1.053 10 0 CDAERP CCC[N@H+](C[C@H](C)C(=O)OCC)C1CC[NH2+]CC1 ZINC000043612916 175079137 /nfs/dbraw/zinc/07/91/37/175079137.db2.gz XPKYTVVOUOYASQ-LBPRGKRZSA-N 2 0 256.390 1.650 10 0 CDAERP CCC[NH+]1CCN([C@@H]2C[C@H](C)CC[C@@H]2[NH2+]C)CC1 ZINC000043805219 175107348 /nfs/dbraw/zinc/10/73/48/175107348.db2.gz OIRIMCBDNVXNMA-QLFBSQMISA-N 2 0 253.434 1.791 10 0 CDAERP CC[NH+]1CCN([C@@H]2COc3ccccc3[C@@H]2[NH2+]C)CC1 ZINC000043805893 175108144 /nfs/dbraw/zinc/10/81/44/175108144.db2.gz UUDMSYUAGGUNBK-ZBFHGGJFSA-N 2 0 275.396 1.346 10 0 CDAERP C[NH2+][C@@H]1c2ccccc2CCC[C@H]1N1CC[NH+](C)CC1 ZINC000043810347 175109487 /nfs/dbraw/zinc/10/94/87/175109487.db2.gz UCTXROGJKZEPFF-IAGOWNOFSA-N 2 0 273.424 1.899 10 0 CDAERP CC[NH2+][C@@H](CN1CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000043810764 175110561 /nfs/dbraw/zinc/11/05/61/175110561.db2.gz UBVGPLNNMCKUIB-INIZCTEOSA-N 2 0 277.412 1.593 10 0 CDAERP C[NH+]1CCC(C[NH2+]Cc2cc(C(N)=O)ccc2F)CC1 ZINC000044518410 175190851 /nfs/dbraw/zinc/19/08/51/175190851.db2.gz OUOJLJIBGWSSRO-UHFFFAOYSA-N 2 0 279.359 1.356 10 0 CDAERP CC[NH+]1CCC(C[NH2+]CCOCC(F)(F)F)CC1 ZINC000044518482 175191153 /nfs/dbraw/zinc/19/11/53/175191153.db2.gz CIBLXTIKOAPBQJ-UHFFFAOYSA-N 2 0 268.323 1.887 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@H]2CCC[C@@H](C)[NH2+]2)CC1 ZINC000044526948 175191794 /nfs/dbraw/zinc/19/17/94/175191794.db2.gz ZSQUECAVFSBFMF-TZMCWYRMSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)C[N@@H+]1CCO[C@H](CN2CCCC[C@@H]2C[NH3+])C1 ZINC000044558438 175202981 /nfs/dbraw/zinc/20/29/81/175202981.db2.gz GLVOACFOPKIRDP-CABCVRRESA-N 2 0 269.433 1.156 10 0 CDAERP CCC[NH2+]CC(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000044651187 175224930 /nfs/dbraw/zinc/22/49/30/175224930.db2.gz XCBLIXBUDNICPM-ZFWWWQNUSA-N 2 0 269.433 1.613 10 0 CDAERP CC[C@H]1CCN([C@@H]2CC[N@@H+](C3CC3)C2)CCC[NH2+]1 ZINC000044678641 175227868 /nfs/dbraw/zinc/22/78/68/175227868.db2.gz REMLVCIHHOZFOF-DZGCQCFKSA-N 2 0 251.418 1.687 10 0 CDAERP CCCC(C[NH3+])(CCC)C(=O)N[C@H]1CC[N@H+](C)C1 ZINC000044805327 175256536 /nfs/dbraw/zinc/25/65/36/175256536.db2.gz UNSWDRZBPBHYSV-LBPRGKRZSA-N 2 0 255.406 1.352 10 0 CDAERP CCC(CC)(C[NH3+])C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000044995423 175287398 /nfs/dbraw/zinc/28/73/98/175287398.db2.gz OTHAPSHKGQVXMM-ZDUSSCGKSA-N 2 0 269.433 1.742 10 0 CDAERP CCCNC(=O)CC[NH2+][C@H](C)[C@H]1CCC[N@H+](C)C1 ZINC000045072513 175302184 /nfs/dbraw/zinc/30/21/84/175302184.db2.gz MJPBTMLLZXJECJ-OLZOCXBDSA-N 2 0 255.406 1.223 10 0 CDAERP CCOC(=O)C[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000045134757 175312675 /nfs/dbraw/zinc/31/26/75/175312675.db2.gz OEYIRVWNDPAAHZ-QWHCGFSZSA-N 2 0 256.390 1.648 10 0 CDAERP CCN[C@@](C)(C[NH+]1CCC(C[NH+](C)C)CC1)C(=O)OCC ZINC000045277025 175346762 /nfs/dbraw/zinc/34/67/62/175346762.db2.gz LCNWBFNUNXHBNR-INIZCTEOSA-N 2 0 299.459 1.191 10 0 CDAERP CC[NH+]1CCN(CCCC[C@](C)([NH2+]C(C)C)C(N)=O)CC1 ZINC000045374364 175365598 /nfs/dbraw/zinc/36/55/98/175365598.db2.gz YUGHNAYTZDEJEZ-INIZCTEOSA-N 2 0 298.475 1.036 10 0 CDAERP CCCC[NH+](CCCC)CCC[C@](C)([NH3+])C(N)=O ZINC000045380608 175369271 /nfs/dbraw/zinc/36/92/71/175369271.db2.gz MAWAVCQBAJFXKE-AWEZNQCLSA-N 2 0 257.422 1.872 10 0 CDAERP CCC[N@H+](CCC[C@@](C)([NH2+]CC)C(N)=O)C(C)C ZINC000045386029 175371698 /nfs/dbraw/zinc/37/16/98/175371698.db2.gz WKLUPAAKQZYHTI-CQSZACIVSA-N 2 0 257.422 1.741 10 0 CDAERP COc1cccc(C[NH2+]CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000069349947 175824030 /nfs/dbraw/zinc/82/40/30/175824030.db2.gz PHZLMHOIMMOZLC-AWEZNQCLSA-N 2 0 292.423 1.878 10 0 CDAERP CCC[NH+]1CCC(N2CCC[C@H]([NH2+]C3CC3)C2=O)CC1 ZINC000071032038 176023169 /nfs/dbraw/zinc/02/31/69/176023169.db2.gz MWVXFQIJTVDDOX-HNNXBMFYSA-N 2 0 279.428 1.604 10 0 CDAERP CC(C)[NH2+][C@H]1CCCN([C@@H]2C[NH+]3CCC2CC3)C1=O ZINC000071032876 176023676 /nfs/dbraw/zinc/02/36/76/176023676.db2.gz ZIPLSAVVPDSTMJ-UONOGXRCSA-N 2 0 265.401 1.070 10 0 CDAERP CCC[NH2+][C@@H]1CCCN(C[C@H]2CCCC[N@@H+]2C)C1=O ZINC000071033663 176024347 /nfs/dbraw/zinc/02/43/47/176024347.db2.gz OYAZPRFOWQBDRZ-ZIAGYGMSSA-N 2 0 267.417 1.461 10 0 CDAERP CC(C)[NH2+][C@@H]1CCCN(CC(C)(C)C[NH+](C)C)C1=O ZINC000071036143 176025396 /nfs/dbraw/zinc/02/53/96/176025396.db2.gz XLKPLDPCUXFHCO-CYBMUJFWSA-N 2 0 269.433 1.563 10 0 CDAERP CN(C[C@H]1CC[N@H+](C)C1)[C@@H](C[NH3+])c1ccc(F)cc1F ZINC000071188494 176062483 /nfs/dbraw/zinc/06/24/83/176062483.db2.gz AWJCCVRROJIZOW-NHYWBVRUSA-N 2 0 283.366 1.848 10 0 CDAERP CN(C[C@H]1CC[N@H+](C)C1)[C@@H](C[NH3+])c1ccc(F)c(F)c1 ZINC000071188614 176063454 /nfs/dbraw/zinc/06/34/54/176063454.db2.gz MQYSXHZIUHFOTE-NHYWBVRUSA-N 2 0 283.366 1.848 10 0 CDAERP COC(=O)[C@@](C)(CC[N@H+](C)C[C@@H]1CC[NH+](C)C1)NC(C)C ZINC000071191031 176068698 /nfs/dbraw/zinc/06/86/98/176068698.db2.gz PUHBUPWQSZHJHK-GDBMZVCRSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)OCCC[NH2+]CCN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192252 176073131 /nfs/dbraw/zinc/07/31/31/176073131.db2.gz OFJKQCJYCHTUQB-OAHLLOKOSA-N 2 0 271.449 1.275 10 0 CDAERP CC(C)CCC[NH2+]CCN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192392 176074012 /nfs/dbraw/zinc/07/40/12/176074012.db2.gz VCJFVVPITWICOF-OAHLLOKOSA-N 2 0 255.450 1.896 10 0 CDAERP CN1CC[C@H]([NH+]2CCC(C[NH2+]C(C)(C)C)CC2)C1=O ZINC000071196440 176076181 /nfs/dbraw/zinc/07/61/81/176076181.db2.gz KRBMJSNRFJAJPZ-ZDUSSCGKSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@H]1C[N@H+](Cc2ccc(F)cc2C(N)=[NH2+])CCCO1 ZINC000071268026 176101757 /nfs/dbraw/zinc/10/17/57/176101757.db2.gz GJJMVWHCVUFIPG-JTQLQIEISA-N 2 0 265.332 1.721 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CNC1=[NH+]C[C@H](C2CC2)S1 ZINC000071307765 176116281 /nfs/dbraw/zinc/11/62/81/176116281.db2.gz CESXIQHBNKNNGE-NWDGAFQWSA-N 2 0 253.415 1.942 10 0 CDAERP C[N@H+](CCN[C@@H]1CC[NH+](C2CC2)C1)C1CCCC1 ZINC000071377123 176142128 /nfs/dbraw/zinc/14/21/28/176142128.db2.gz UXPKGKYCKCPYRM-CYBMUJFWSA-N 2 0 251.418 1.687 10 0 CDAERP Cc1cccc([C@H](C[NH3+])N2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000071380179 176144383 /nfs/dbraw/zinc/14/43/83/176144383.db2.gz FRRLCYDJAQKYJT-INIZCTEOSA-N 2 0 291.439 1.383 10 0 CDAERP CC(C)(O)C[NH+]1CCN(Cc2cccc(C[NH3+])c2)CC1 ZINC000071380495 176145000 /nfs/dbraw/zinc/14/50/00/176145000.db2.gz VSTKNZWSEGQMCY-UHFFFAOYSA-N 2 0 277.412 1.034 10 0 CDAERP COc1ccc([C@@H](C[NH3+])N2CC[NH+](C)CC2)cc1F ZINC000071599163 176223580 /nfs/dbraw/zinc/22/35/80/176223580.db2.gz SDFAYWPQHIRCDP-CYBMUJFWSA-N 2 0 267.348 1.082 10 0 CDAERP O=C(C[C@H]1CCC[NH2+]C1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000250796366 270306306 /nfs/dbraw/zinc/30/63/06/270306306.db2.gz APPYKDCKIBLVOG-KGLIPLIRSA-N 2 0 265.401 1.073 10 0 CDAERP CC[C@](C[NH3+])(COC)N1CCC([NH+]2CCCCC2)CC1 ZINC000079714069 177542545 /nfs/dbraw/zinc/54/25/45/177542545.db2.gz ONLXDGQIKSCHTJ-INIZCTEOSA-N 2 0 283.460 1.691 10 0 CDAERP CCCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001666172723 1173115124 /nfs/dbraw/zinc/11/51/24/1173115124.db2.gz MBIOVODQAOQKPU-CVEARBPZSA-N 2 0 295.471 1.957 10 0 CDAERP c1cnc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cn1 ZINC000390255884 262167499 /nfs/dbraw/zinc/16/74/99/262167499.db2.gz XKDASICNJMTZML-HRCADAONSA-N 2 0 274.412 1.920 10 0 CDAERP CC[N@H+](CCc1nccs1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662278351 423862277 /nfs/dbraw/zinc/86/22/77/423862277.db2.gz GBSZNIGVOCBXIN-LBPRGKRZSA-N 2 0 281.425 1.529 10 0 CDAERP COC[C@H](C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1)OC ZINC000662282956 423880745 /nfs/dbraw/zinc/88/07/45/423880745.db2.gz FLRYCRYAFDDAPI-XQLPTFJDSA-N 2 0 286.416 1.009 10 0 CDAERP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662272199 423822949 /nfs/dbraw/zinc/82/29/49/423822949.db2.gz LYPOYUNDIRYYSQ-LXTVHRRPSA-N 2 0 279.428 1.352 10 0 CDAERP CCC[NH2+][C@H](C)C(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000653260076 423827059 /nfs/dbraw/zinc/82/70/59/423827059.db2.gz BYNVOVDXKCSWQD-TUVASFSCSA-N 2 0 297.443 1.262 10 0 CDAERP C[C@@H](CC[NH3+])NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659529812 423930774 /nfs/dbraw/zinc/93/07/74/423930774.db2.gz MKGCYNJPWUEGCG-NWANDNLSSA-N 2 0 290.411 1.169 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000652225053 424082076 /nfs/dbraw/zinc/08/20/76/424082076.db2.gz OJUBVYYWGPEMHD-UONOGXRCSA-N 2 0 284.448 1.356 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)NCCC1CC[NH2+]CC1 ZINC000653273841 424209312 /nfs/dbraw/zinc/20/93/12/424209312.db2.gz QTUCQRODCXVBCF-UHFFFAOYSA-N 2 0 275.396 1.307 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)CCC(C)(C)[NH3+] ZINC000070086728 424276415 /nfs/dbraw/zinc/27/64/15/424276415.db2.gz JGVWNXZTXSSVBR-GFCCVEGCSA-N 2 0 257.422 1.596 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000662730475 424383897 /nfs/dbraw/zinc/38/38/97/424383897.db2.gz GKKMCSTVAHZLDX-NFFDBFGFSA-N 2 0 297.443 1.009 10 0 CDAERP CCO[C@H]1C[C@]([NH3+])(C(=O)NCC[C@@H]([NH3+])C(C)C)C1(C)C ZINC000662731070 424385432 /nfs/dbraw/zinc/38/54/32/424385432.db2.gz XJGDEERMWDZLFK-XUJVJEKNSA-N 2 0 285.432 1.009 10 0 CDAERP CCCCNC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652360585 424323222 /nfs/dbraw/zinc/32/32/22/424323222.db2.gz LYXOCWZJDQHOPU-RBSFLKMASA-N 2 0 297.443 1.264 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000659618566 424413503 /nfs/dbraw/zinc/41/35/03/424413503.db2.gz CZUKTEJEYIGTPS-QLFBSQMISA-N 2 0 296.459 1.628 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000659622732 424419287 /nfs/dbraw/zinc/41/92/87/424419287.db2.gz USXKMWQMYMXSGB-OAHLLOKOSA-N 2 0 298.475 1.876 10 0 CDAERP O=C(N1CCC([C@H]2CC[NH2+]C2)CC1)C1([NH2+]C2CC2)CCC1 ZINC000662780859 424451532 /nfs/dbraw/zinc/45/15/32/424451532.db2.gz SVMOFLHBWDAVNZ-AWEZNQCLSA-N 2 0 291.439 1.509 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC000655488950 424504911 /nfs/dbraw/zinc/50/49/11/424504911.db2.gz JTEJIBYDGVKNJM-XURFYPICSA-N 2 0 293.455 1.596 10 0 CDAERP [NH3+]CC12CCC(CC1)CN2C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655481799 424475554 /nfs/dbraw/zinc/47/55/54/424475554.db2.gz LBWQOXYIQXHJDV-GOPBEWJXSA-N 2 0 277.412 1.106 10 0 CDAERP CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)C(C)C ZINC001667399781 1173262758 /nfs/dbraw/zinc/26/27/58/1173262758.db2.gz CSTUZLSLLVUEHC-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CCC(C)(C)NC(=O)CN1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397360359 270349002 /nfs/dbraw/zinc/34/90/02/270349002.db2.gz LQFUQYJLHZKIGX-AGIUHOORSA-N 2 0 269.433 1.596 10 0 CDAERP CC1(C)[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)[C@H]2CCO[C@@H]21 ZINC000530179169 271132232 /nfs/dbraw/zinc/13/22/32/271132232.db2.gz QHIIIPYYGNAPBK-LPWJVIDDSA-N 2 0 250.386 1.674 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H](n2cccn2)C(F)(F)F)C1 ZINC000530208634 271151448 /nfs/dbraw/zinc/15/14/48/271151448.db2.gz GILSQIKAYBCVBH-OUAUKWLOSA-N 2 0 276.306 1.846 10 0 CDAERP COCC[C@@H](C)[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530239848 271177186 /nfs/dbraw/zinc/17/71/86/271177186.db2.gz IAJJHXQGUBRWFN-UKRRQHHQSA-N 2 0 270.417 1.502 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCN2C[C@H]3CC[C@@H](C2)O3)[C@@H](C)C1 ZINC000343296539 276399479 /nfs/dbraw/zinc/39/94/79/276399479.db2.gz DOAPVWKKBGVBAC-NXOAAHMSSA-N 2 0 295.471 1.512 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2(CO)CCOCC2)[C@H]2CCC[C@@H]21 ZINC000375863214 277170246 /nfs/dbraw/zinc/17/02/46/277170246.db2.gz WATYIJDTRVOKIJ-ILXRZTDVSA-N 2 0 282.428 1.238 10 0 CDAERP C[NH2+]CCN(C)C(=O)[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000263078756 277269894 /nfs/dbraw/zinc/26/98/94/277269894.db2.gz CYBDUFTUWNEREO-CYBMUJFWSA-N 2 0 263.385 1.185 10 0 CDAERP COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CC1CC[NH2+]CC1 ZINC000262040352 277373902 /nfs/dbraw/zinc/37/39/02/277373902.db2.gz YFJJURSAVPUQOP-MCIONIFRSA-N 2 0 266.385 1.260 10 0 CDAERP CC(C)[C@H](C(=O)NC1CC([NH+]2CCCCC2)C1)[C@H](C)[NH3+] ZINC000423805442 277865263 /nfs/dbraw/zinc/86/52/63/277865263.db2.gz UHEVGPRFZXPJSM-PPWQZUPISA-N 2 0 281.444 1.739 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)[C@@H]1C ZINC000423518500 278024873 /nfs/dbraw/zinc/02/48/73/278024873.db2.gz ZSIYSLDCSCZRGE-KBJXHQRYSA-N 2 0 265.445 1.837 10 0 CDAERP C[C@H]1CC[NH2+]C[C@H]1NCC[N@H+](C)C1CCCCC1 ZINC000422704847 278373542 /nfs/dbraw/zinc/37/35/42/278373542.db2.gz QKQXPLLECLWIHG-DZGCQCFKSA-N 2 0 253.434 1.839 10 0 CDAERP C[C@@H]1CN(C)C[C@@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000339496364 288091003 /nfs/dbraw/zinc/09/10/03/288091003.db2.gz BGBBJAXBMMALIO-CABCVRRESA-N 2 0 253.434 1.792 10 0 CDAERP CC[C@H](O)C[NH+]1CCN(CCC[NH+](CC)CC)CC1 ZINC000191515539 288111032 /nfs/dbraw/zinc/11/10/32/288111032.db2.gz LLWXVMLIRXMVMU-HNNXBMFYSA-N 2 0 271.449 1.107 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000462015556 279374321 /nfs/dbraw/zinc/37/43/21/279374321.db2.gz QLEWLCDLWSSIDQ-ZNMIVQPWSA-N 2 0 298.475 1.839 10 0 CDAERP CC(C)[N@H+](C)Cc1ccccc1CNC1=[NH+]CCCN1 ZINC000261759714 279384711 /nfs/dbraw/zinc/38/47/11/279384711.db2.gz LEHRMBSHIJHGAN-UHFFFAOYSA-N 2 0 274.412 1.966 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000417824555 279395514 /nfs/dbraw/zinc/39/55/14/279395514.db2.gz ADZRQJFORQYTOS-JSGCOSHPSA-N 2 0 261.369 1.287 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000335837724 279395896 /nfs/dbraw/zinc/39/58/96/279395896.db2.gz FJHSLDKTUMOFEC-DZGCQCFKSA-N 2 0 281.444 1.517 10 0 CDAERP CC(C)[NH+]1CCN(CCC[NH2+][C@H](C)[C@H](C)CO)CC1 ZINC000450738943 279510377 /nfs/dbraw/zinc/51/03/77/279510377.db2.gz OZZLKEDGDOLGEH-HUUCEWRRSA-N 2 0 271.449 1.009 10 0 CDAERP CCN(CC[NH2+]CC[C@H](C)F)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001668455383 1173414735 /nfs/dbraw/zinc/41/47/35/1173414735.db2.gz KZIAWIRGMOKTBK-YNEHKIRRSA-N 2 0 296.390 1.699 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CCCCCC[NH3+] ZINC000251792417 288295459 /nfs/dbraw/zinc/29/54/59/288295459.db2.gz NMBUIRMOKMDONE-CABCVRRESA-N 2 0 281.444 1.981 10 0 CDAERP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000356213856 282016093 /nfs/dbraw/zinc/01/60/93/282016093.db2.gz KEXPSQMVGLHCAT-CHWSQXEVSA-N 2 0 269.433 1.706 10 0 CDAERP CC(C)CNC(=[NH2+])NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000052042780 289051017 /nfs/dbraw/zinc/05/10/17/289051017.db2.gz HLEDZHHOLOIKDF-YHWZYXNKSA-N 2 0 252.406 1.629 10 0 CDAERP COc1c(C[NH+]2CCC(CC[NH3+])CC2)c(C)nn1C ZINC000158500943 289310593 /nfs/dbraw/zinc/31/05/93/289310593.db2.gz TUDRRCDYRSBGMO-UHFFFAOYSA-N 2 0 266.389 1.298 10 0 CDAERP CN1CCO[C@@H](C[N@H+](CC2CC2)C[C@@H]2CCC[NH2+]C2)C1 ZINC000262052635 290077663 /nfs/dbraw/zinc/07/76/63/290077663.db2.gz ZSPNAASRYBMCIR-HZPDHXFCSA-N 2 0 281.444 1.029 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCC2=CC[NH2+]CC2)[C@@H]2CCC[C@H]21 ZINC000423539691 290217332 /nfs/dbraw/zinc/21/73/32/290217332.db2.gz PCFRIFFAYNEGAY-HRCADAONSA-N 3 0 263.429 1.759 10 0 CDAERP COC[C@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182609546 293018331 /nfs/dbraw/zinc/01/83/31/293018331.db2.gz DASFAMKXWGLXOL-LSVZVQIISA-N 2 0 281.444 1.264 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000422777862 293097702 /nfs/dbraw/zinc/09/77/02/293097702.db2.gz GKLGSWBWIANERQ-IGQOVBAYSA-N 2 0 270.417 1.534 10 0 CDAERP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000563198364 293307325 /nfs/dbraw/zinc/30/73/25/293307325.db2.gz UKBDEICMBKKLQC-DOMZBBRYSA-N 2 0 293.386 1.326 10 0 CDAERP C[C@H](CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)[N@H+](C)C1CC1 ZINC000564551415 293370167 /nfs/dbraw/zinc/37/01/67/293370167.db2.gz XWFGAQKCRFNMPJ-CJNGLKHVSA-N 2 0 294.443 1.254 10 0 CDAERP C[C@@H]1CC[C@H]([NH2+]CC(=O)N2CC[NH2+]CC2)c2sccc21 ZINC000564822280 293422529 /nfs/dbraw/zinc/42/25/29/293422529.db2.gz KFANLNFMYFDKES-YPMHNXCESA-N 2 0 293.436 1.708 10 0 CDAERP NC(=O)CC1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000565486770 293622664 /nfs/dbraw/zinc/62/26/64/293622664.db2.gz NIVPMGHRLGZAPZ-UHFFFAOYSA-N 2 0 287.407 1.420 10 0 CDAERP O=C([C@H]1C[NH2+]Cc2ccccc21)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000568878205 294117427 /nfs/dbraw/zinc/11/74/27/294117427.db2.gz OZPDGZOGZBGFNV-LZWOXQAQSA-N 2 0 285.391 1.226 10 0 CDAERP CCC([NH3+])(CC)CNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000569220381 294176255 /nfs/dbraw/zinc/17/62/55/294176255.db2.gz FLCUQCIKDPVJDL-ZDUSSCGKSA-N 2 0 269.433 1.885 10 0 CDAERP C[C@H]([NH2+]C[C@H]1COc2ccccc2O1)[C@@H]1CCC[NH2+]C1 ZINC000574868595 295066019 /nfs/dbraw/zinc/06/60/19/295066019.db2.gz FOMFPYLUJVRYEU-MJBXVCDLSA-N 2 0 276.380 1.804 10 0 CDAERP O=C(NCC[C@@H]1CC[NH2+]C1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000262411073 295653350 /nfs/dbraw/zinc/65/33/50/295653350.db2.gz DINHFHSJGMKMDL-XUXIUFHCSA-N 2 0 265.401 1.023 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000418601186 297109096 /nfs/dbraw/zinc/10/90/96/297109096.db2.gz UDPCMWPNWKHRLU-IIAWOOMASA-N 2 0 294.443 1.112 10 0 CDAERP C[C@@H]1C[C@H](C[N@H+](C)CC(=O)NC(C)(C)C)CC[NH2+]1 ZINC000414684635 297395655 /nfs/dbraw/zinc/39/56/55/297395655.db2.gz WLYNZIFCHJXBLK-VXGBXAGGSA-N 2 0 255.406 1.221 10 0 CDAERP C[C@@]1(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CCCC[NH2+]1 ZINC000336513064 297860464 /nfs/dbraw/zinc/86/04/64/297860464.db2.gz CWMHAZWJLQONMI-LSDHHAIUSA-N 2 0 265.401 1.121 10 0 CDAERP C[C@H](CCCC[NH3+])NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000418694495 298387771 /nfs/dbraw/zinc/38/77/71/298387771.db2.gz KSBAWCDNURHYOK-UPJWGTAASA-N 2 0 268.405 1.040 10 0 CDAERP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261826026 300311053 /nfs/dbraw/zinc/31/10/53/300311053.db2.gz TWMGQTYDOMZBHJ-LJISPDSOSA-N 2 0 279.428 1.447 10 0 CDAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCCCC[N@H+](C)C1CC1 ZINC000418267229 300324487 /nfs/dbraw/zinc/32/44/87/300324487.db2.gz OCVNTCMZOLYXIK-JSGCOSHPSA-N 2 0 282.432 1.158 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001669388721 1173543875 /nfs/dbraw/zinc/54/38/75/1173543875.db2.gz UFHRIIJKMNMWLE-CYBMUJFWSA-N 2 0 267.417 1.389 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@](C)(C[NH2+]C/C=C\Cl)C2)C1 ZINC001671811463 1173713326 /nfs/dbraw/zinc/71/33/26/1173713326.db2.gz ZGZXASNHCBWPRK-GLPPDTDBSA-N 2 0 299.846 1.519 10 0 CDAERP C[NH+]1CCN(C[C@H](O)C[NH2+]CCCCC(C)(C)C)CC1 ZINC000563952628 316404126 /nfs/dbraw/zinc/40/41/26/316404126.db2.gz NXBSSGDVZGSIQI-OAHLLOKOSA-N 2 0 285.476 1.401 10 0 CDAERP C[C@H](NC(=O)c1ccc(C[NH3+])cc1)[C@@H]1CCC[NH2+]C1 ZINC000571918925 316940708 /nfs/dbraw/zinc/94/07/08/316940708.db2.gz RLSXZKWDDQXIAV-SMDDNHRTSA-N 2 0 261.369 1.263 10 0 CDAERP CCC[C@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)C(C)(C)C ZINC000576227813 317099944 /nfs/dbraw/zinc/09/99/44/317099944.db2.gz BJEHWKQETDDSSC-GJZGRUSLSA-N 2 0 285.476 1.399 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000577117178 317269273 /nfs/dbraw/zinc/26/92/73/317269273.db2.gz MHOLBDGFYSEHKZ-HNNXBMFYSA-N 2 0 275.396 1.411 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)[C@H]2CC[NH2+][C@H]2C)CC1 ZINC000577509827 317346271 /nfs/dbraw/zinc/34/62/71/317346271.db2.gz LZPIFZALLRCESM-JSGCOSHPSA-N 2 0 267.417 1.223 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CCC2CC2)C1 ZINC001672840454 1173803354 /nfs/dbraw/zinc/80/33/54/1173803354.db2.gz WQXPHXLZQYZMKO-HZPDHXFCSA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)[NH2+]CCC(=O)NCC[N@H+](C)C1CCCCC1 ZINC000165005154 323213813 /nfs/dbraw/zinc/21/38/13/323213813.db2.gz ILUPLHWBSZFWRE-UHFFFAOYSA-N 2 0 269.433 1.755 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC[C@@H](O)C[NH+](C)C1CC1 ZINC000583020336 325089954 /nfs/dbraw/zinc/08/99/54/325089954.db2.gz VCRNEVTURZJVIO-IJEWVQPXSA-N 2 0 283.460 1.294 10 0 CDAERP CC(C)[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC1CC1 ZINC001698977439 1159177976 /nfs/dbraw/zinc/17/79/76/1159177976.db2.gz PDODSQKRUVCQHE-AWEZNQCLSA-N 2 0 267.417 1.223 10 0 CDAERP COCCC[N@H+](C)CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001731791849 1159341534 /nfs/dbraw/zinc/34/15/34/1159341534.db2.gz MGEFCXPFVQEBPA-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)[NH2+]CCCF ZINC001732221534 1159756110 /nfs/dbraw/zinc/75/61/10/1159756110.db2.gz KDDKHUXYPXALAJ-ZIAGYGMSSA-N 2 0 287.423 1.705 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CC)[NH2+]CC ZINC001481815458 1159948512 /nfs/dbraw/zinc/94/85/12/1159948512.db2.gz CJSZVTCHBIGNEG-CHWSQXEVSA-N 2 0 255.406 1.365 10 0 CDAERP CC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001268486167 1159954193 /nfs/dbraw/zinc/95/41/93/1159954193.db2.gz OEVIKSPROWMKQU-KBPBESRZSA-N 2 0 267.417 1.461 10 0 CDAERP CC[C@@H](C(=O)NC/C=C/CNCc1cscn1)[NH+](C)C ZINC001268593118 1159988310 /nfs/dbraw/zinc/98/83/10/1159988310.db2.gz QIGLSNUJMWLPCH-GFUIURDCSA-N 2 0 296.440 1.245 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001270111826 1160089868 /nfs/dbraw/zinc/08/98/68/1160089868.db2.gz AGNJMVVIJYEHCO-UONOGXRCSA-N 2 0 267.417 1.461 10 0 CDAERP COc1ccnc(CN2CCC[C@@]3(CC[NH2+]C3)C2)c1OC ZINC000662276591 482237309 /nfs/dbraw/zinc/23/73/09/482237309.db2.gz KQSAMOAJUDLMQX-INIZCTEOSA-N 2 0 291.395 1.674 10 0 CDAERP C[NH+](C)CC1CCN(C(=O)[C@@H]2CCc3nc[nH]c3C2)CC1 ZINC000668679555 482501273 /nfs/dbraw/zinc/50/12/73/482501273.db2.gz MUSGELSGTZAQID-CYBMUJFWSA-N 2 0 290.411 1.315 10 0 CDAERP CN(C)c1cc[nH+]cc1C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000680581584 482513468 /nfs/dbraw/zinc/51/34/68/482513468.db2.gz CGDFELFWZGWIHJ-GFCCVEGCSA-N 2 0 276.384 1.171 10 0 CDAERP CC(C)[N@H+](C)CC1CCN(C(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000054308245 482550632 /nfs/dbraw/zinc/55/06/32/482550632.db2.gz UUSKEZINVKVBSM-INIZCTEOSA-N 2 0 295.471 1.955 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC(=O)NC2CCCC2)[C@H]2CCC[C@@H]21 ZINC000671751862 482639754 /nfs/dbraw/zinc/63/97/54/482639754.db2.gz XOALLUHTKZITTD-ILXRZTDVSA-N 2 0 279.428 1.508 10 0 CDAERP [NH3+][C@H]1CCC[C@@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000669575228 482778949 /nfs/dbraw/zinc/77/89/49/482778949.db2.gz WLBKCORIAHJNJT-ZUJMUWTESA-N 2 0 294.443 1.572 10 0 CDAERP C[C@H](NC(=O)NC/C=C/C[NH3+])[C@@H](c1ccccc1)[NH+](C)C ZINC000669583406 482818666 /nfs/dbraw/zinc/81/86/66/482818666.db2.gz WBGWYKWICZQFOX-IZYAJXRASA-N 2 0 290.411 1.492 10 0 CDAERP CC[NH+](CC)CCn1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000404920851 482848996 /nfs/dbraw/zinc/84/89/96/482848996.db2.gz IEJZMIFTWKAMER-LBPRGKRZSA-N 2 0 251.378 1.087 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000669403205 482886989 /nfs/dbraw/zinc/88/69/89/482886989.db2.gz ONJFZHIBTRFZHU-OAHLLOKOSA-N 2 0 288.395 1.183 10 0 CDAERP C[NH+](C)C[C@H](NC(=O)[C@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000089459470 483085903 /nfs/dbraw/zinc/08/59/03/483085903.db2.gz GTSTUBCROJLFIL-PMPSAXMXSA-N 2 0 289.423 1.781 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CC2CCC1CC2 ZINC000311079649 483207538 /nfs/dbraw/zinc/20/75/38/483207538.db2.gz OBJIQMKDTZPNSX-NEXFUWMNSA-N 2 0 254.418 1.856 10 0 CDAERP O=C(NCCC[NH2+]Cc1cccnc1)[C@@H]1CCC[NH2+]CC1 ZINC000653044582 483239295 /nfs/dbraw/zinc/23/92/95/483239295.db2.gz PEHXWOVXZYEDKU-OAHLLOKOSA-N 2 0 290.411 1.067 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000136408904 483402207 /nfs/dbraw/zinc/40/22/07/483402207.db2.gz GMAQVEIKIZFVJB-OAHLLOKOSA-N 2 0 281.444 1.837 10 0 CDAERP CC[NH+]1CCC(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667853254 483459868 /nfs/dbraw/zinc/45/98/68/483459868.db2.gz YDLRBIMWPHZBRF-LSDHHAIUSA-N 2 0 252.402 1.875 10 0 CDAERP C[N@@H+]1CC[C@@]2(CCN(Cc3ccnn3-c3cc[nH+]cc3)C2)C1 ZINC000668188645 483602522 /nfs/dbraw/zinc/60/25/22/483602522.db2.gz KNIOYQSRSJOXPL-QGZVFWFLSA-N 2 0 297.406 1.795 10 0 CDAERP CC(C)[C@H](C[NH2+]C(C)(C)C)N1CCN(CC[NH+](C)C)CC1 ZINC000061654977 519815815 /nfs/dbraw/zinc/81/58/15/519815815.db2.gz XEBDPGUJQLITLJ-INIZCTEOSA-N 2 0 298.519 1.578 10 0 CDAERP CC[NH2+]CC1(C[N@@H+]2CCCSCC2)CCOCC1 ZINC000052197944 519912423 /nfs/dbraw/zinc/91/24/23/519912423.db2.gz PJVYEQZZWWCNMH-UHFFFAOYSA-N 2 0 272.458 1.832 10 0 CDAERP CC[NH+]1CCC(N(C)Cc2occc2C[NH2+]C)CC1 ZINC000052543985 521566550 /nfs/dbraw/zinc/56/65/50/521566550.db2.gz KILLSNFFBKRLPV-UHFFFAOYSA-N 2 0 265.401 1.915 10 0 CDAERP CCCN(CC[NH+](C)C)Cc1cccnc1C(N)=[NH2+] ZINC000061658332 521657357 /nfs/dbraw/zinc/65/73/57/521657357.db2.gz WBRPSOBAKQUYGK-UHFFFAOYSA-N 2 0 263.389 1.139 10 0 CDAERP C[NH+](C)CCN1CC[NH+](CCCC[NH2+]C(C)(C)C)CC1 ZINC000061654983 521764855 /nfs/dbraw/zinc/76/48/55/521764855.db2.gz YUUNWEYCQUJFER-UHFFFAOYSA-N 3 0 284.492 1.334 10 0 CDAERP CCC[C@@H](C(=O)N1CCC([NH+](C)C)CC1)[NH+](C)C ZINC000162068214 517595996 /nfs/dbraw/zinc/59/59/96/517595996.db2.gz PMGWACKUOBCKOX-ZDUSSCGKSA-N 2 0 255.406 1.269 10 0 CDAERP C(C[NH+]1CCCC1)OC[C@@H]1CC[C@@H](C[NH2+]C2CC2)O1 ZINC000052670477 518385815 /nfs/dbraw/zinc/38/58/15/518385815.db2.gz DEOIRFPTEIJTAE-GJZGRUSLSA-N 2 0 268.401 1.398 10 0 CDAERP C(CN[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C[NH+]1CCCC1 ZINC000049564885 518390822 /nfs/dbraw/zinc/39/08/22/518390822.db2.gz WUEFPBLKDQMWLE-CABCVRRESA-N 2 0 251.418 1.689 10 0 CDAERP C(C[C@@H]1CCC[NH2+]1)CN1CC[NH+](CC2CC2)CC1 ZINC000052764445 518395439 /nfs/dbraw/zinc/39/54/39/518395439.db2.gz VUOSOKJBZCKIJO-HNNXBMFYSA-N 2 0 251.418 1.546 10 0 CDAERP C([NH2+]C1CC1)[C@@H]1CC[C@@H](C[NH+]2CCSCC2)O1 ZINC000052443290 518398079 /nfs/dbraw/zinc/39/80/79/518398079.db2.gz YMBDDIJSBUWEQS-STQMWFEESA-N 2 0 256.415 1.335 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc(NN)[nH+]c1 ZINC000051113593 519339640 /nfs/dbraw/zinc/33/96/40/519339640.db2.gz PBUIBNWFFAGTKE-GFCCVEGCSA-N 2 0 279.388 1.073 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000112918712 519607118 /nfs/dbraw/zinc/60/71/18/519607118.db2.gz YQJSOJDORKSWJX-UHFFFAOYSA-N 2 0 281.444 1.661 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000246507447 519677168 /nfs/dbraw/zinc/67/71/68/519677168.db2.gz QFOUPKPPUXATRA-ILXRZTDVSA-N 2 0 281.444 1.741 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CC[C@H](COC2CC[NH+](C)CC2)O1 ZINC000052596896 519745113 /nfs/dbraw/zinc/74/51/13/519745113.db2.gz BFDJEPNWIULXEV-JKSUJKDBSA-N 2 0 284.444 1.890 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)C1([NH3+])CCCCC1 ZINC000049221053 519813991 /nfs/dbraw/zinc/81/39/91/519813991.db2.gz HOJJSDIPXZGUAZ-LBPRGKRZSA-N 2 0 255.406 1.350 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NS(=O)(=O)c1cccc(C[NH3+])c1 ZINC000049204811 519814724 /nfs/dbraw/zinc/81/47/24/519814724.db2.gz BEAHLRLKGGUEKE-AWEZNQCLSA-N 2 0 299.440 1.010 10 0 CDAERP CCC[NH+]1CCC([NH2+]CC2(O)Cc3ccccc3C2)CC1 ZINC000363784906 519846380 /nfs/dbraw/zinc/84/63/80/519846380.db2.gz CDDDSXVHVUQEHR-UHFFFAOYSA-N 2 0 288.435 1.980 10 0 CDAERP CCC[NH2+]CC1(C[N@H+](C)C[C@@H](C)O)CCOCC1 ZINC000052198264 519909776 /nfs/dbraw/zinc/90/97/76/519909776.db2.gz MUSAIZDTVOFEOK-CYBMUJFWSA-N 2 0 258.406 1.095 10 0 CDAERP CC[NH2+]CC1(CN(C)C2CC[NH+](C)CC2)CCOCC1 ZINC000052181037 519912073 /nfs/dbraw/zinc/91/20/73/519912073.db2.gz ZZPHDBIJWOOPGH-UHFFFAOYSA-N 2 0 283.460 1.419 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000061227227 519936339 /nfs/dbraw/zinc/93/63/39/519936339.db2.gz PIFSFOKXJRHSKH-CYBMUJFWSA-N 2 0 257.422 1.467 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)[C@@H]2CCSC2)O1 ZINC000052453577 519951442 /nfs/dbraw/zinc/95/14/42/519951442.db2.gz WPKWKBROJVNFKX-AGIUHOORSA-N 2 0 258.431 1.581 10 0 CDAERP CC[NH2+]Cc1ccoc1CN1CCC[N@H+](C)CC1 ZINC000052424171 520010730 /nfs/dbraw/zinc/01/07/30/520010730.db2.gz POYVCHYOEPLPKX-UHFFFAOYSA-N 2 0 251.374 1.527 10 0 CDAERP CC[NH2+]Cc1nc(CN2CCC[C@@H]2C[NH+](C)C)cs1 ZINC000061654725 520021499 /nfs/dbraw/zinc/02/14/99/520021499.db2.gz MIENIBKBCFNHAY-CYBMUJFWSA-N 2 0 282.457 1.779 10 0 CDAERP CC[NH2+]Cc1occc1CN1CCC[C@H]1C[NH+](C)C ZINC000061654411 520030224 /nfs/dbraw/zinc/03/02/24/520030224.db2.gz CDTFIDALACZKRP-AWEZNQCLSA-N 2 0 265.401 1.915 10 0 CDAERP CC[NH2+][C@@H]1CCCCC[C@H]1N1CCN(CC[NH+](C)C)CC1 ZINC000061644022 520116398 /nfs/dbraw/zinc/11/63/98/520116398.db2.gz ZFDVTYMVAQJQEG-IAGOWNOFSA-N 2 0 296.503 1.476 10 0 CDAERP CC[NH+](CC)CCCCNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000236845459 520592120 /nfs/dbraw/zinc/59/21/20/520592120.db2.gz IVAUGUGYSWNKPY-QWHCGFSZSA-N 2 0 255.406 1.352 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@@H]1CCC[C@@H](C[NH3+])C1 ZINC000055145718 520616316 /nfs/dbraw/zinc/61/63/16/520616316.db2.gz LIDOFMOQYPNAKP-ZIAGYGMSSA-N 2 0 269.433 1.600 10 0 CDAERP CC[NH+](CC)Cc1ccccc1NC(=O)[C@@H]([NH3+])CCOC ZINC000052792694 520759551 /nfs/dbraw/zinc/75/95/51/520759551.db2.gz SCTPJTVDZLGISR-AWEZNQCLSA-N 2 0 293.411 1.831 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN([C@@H](C)C[C@@](C)(CO)[NH2+]C2CC2)C1 ZINC000070337402 520848210 /nfs/dbraw/zinc/84/82/10/520848210.db2.gz PUCMXRSOZFUJEV-UAGQMJEPSA-N 2 0 297.487 1.684 10 0 CDAERP CC1CC[NH+](CCNC(=O)[C@@H]2CCC[C@H](C[NH3+])C2)CC1 ZINC000055162013 521014189 /nfs/dbraw/zinc/01/41/89/521014189.db2.gz HZPPATMJHWTRLH-LSDHHAIUSA-N 2 0 281.444 1.600 10 0 CDAERP CCC[N@H+](CC)CCn1cc(C[NH2+]CC(C)C)nn1 ZINC000052448411 521611152 /nfs/dbraw/zinc/61/11/52/521611152.db2.gz KTYUVDZIOAHOPB-UHFFFAOYSA-N 2 0 267.421 1.756 10 0 CDAERP CCCN(CC[NH+](C)C)Cc1ccnc(C(N)=[NH2+])c1 ZINC000068761747 521657637 /nfs/dbraw/zinc/65/76/37/521657637.db2.gz JBIPTFIZLDIIGG-UHFFFAOYSA-N 2 0 263.389 1.139 10 0 CDAERP CC[N@@H+]1CC[C@H](CNCC[C@@H]2CCCC[NH+]2C)C1 ZINC000052205593 521717355 /nfs/dbraw/zinc/71/73/55/521717355.db2.gz YLOSZYQSFATCLG-CABCVRRESA-N 2 0 253.434 1.792 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C1(C[NH3+])CCSCC1 ZINC000061642829 521834590 /nfs/dbraw/zinc/83/45/90/521834590.db2.gz KXSYDMKLDZQYFJ-LBPRGKRZSA-N 2 0 257.447 1.237 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1c1ncccc1C[NH2+]C1CC1 ZINC000061654204 521844935 /nfs/dbraw/zinc/84/49/35/521844935.db2.gz CROCVWJHWRFUHE-HNNXBMFYSA-N 2 0 274.412 1.864 10 0 CDAERP CN(C)C[C@H]1CCC[N@@H+]1Cc1ccc(C(N)=[NH2+])cc1 ZINC000061644686 521871250 /nfs/dbraw/zinc/87/12/50/521871250.db2.gz WHNOJFZSUNUNNP-CQSZACIVSA-N 2 0 260.385 1.497 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C[C@@](CO)([NH2+]C(C)C)C2CC2)CC1 ZINC000070334895 522124038 /nfs/dbraw/zinc/12/40/38/522124038.db2.gz DKAOJRXTTJIIHV-WBVHZDCISA-N 2 0 297.487 1.542 10 0 CDAERP CC[C@@H](C)[NH+]1CCN([C@H](C[NH3+])c2ccncc2)CC1 ZINC000055064110 522131847 /nfs/dbraw/zinc/13/18/47/522131847.db2.gz IQHHDBYXSOGKCH-UKRRQHHQSA-N 2 0 262.401 1.498 10 0 CDAERP C[NH2+]Cc1ccccc1C[NH+](CCOC)CCOC ZINC000052571510 522133183 /nfs/dbraw/zinc/13/31/83/522133183.db2.gz JVKQTOHQAHVDFZ-UHFFFAOYSA-N 2 0 266.385 1.501 10 0 CDAERP C[NH2+]Cc1ccoc1CN1CC[NH+](C(C)(C)C)CC1 ZINC000052571614 522141727 /nfs/dbraw/zinc/14/17/27/522141727.db2.gz FOZIXCGCSOPFNF-UHFFFAOYSA-N 2 0 265.401 1.915 10 0 CDAERP C[NH2+]Cc1occc1CN1CCC[C@@H]1C[NH+](C)C ZINC000061654408 522165770 /nfs/dbraw/zinc/16/57/70/522165770.db2.gz WHOQDLZYWOARFH-CYBMUJFWSA-N 2 0 251.374 1.525 10 0 CDAERP CC[C@H](C[NH2+]C(C)(C)C)N1CC[NH+](C2CC2)CC1 ZINC000052371267 522190269 /nfs/dbraw/zinc/19/02/69/522190269.db2.gz KQSPGMJZVANKKW-CYBMUJFWSA-N 2 0 253.434 1.933 10 0 CDAERP C[NH2+][C@@H]1CCCCC[C@H]1N1CCC[C@@H]1C[NH+](C)C ZINC000061643416 522377641 /nfs/dbraw/zinc/37/76/41/522377641.db2.gz BGTIDMKRVFPXHD-RBSFLKMASA-N 2 0 253.434 1.933 10 0 CDAERP C[N@H+](CCN1CCC[NH2+]CC1)Cc1cccs1 ZINC000061275009 522833300 /nfs/dbraw/zinc/83/33/00/522833300.db2.gz YXWAVCVVVZFMGR-UHFFFAOYSA-N 2 0 253.415 1.475 10 0 CDAERP COCCC[N@H+](CCOC)Cc1cc(C)c(C[NH3+])o1 ZINC000052543260 523253819 /nfs/dbraw/zinc/25/38/19/523253819.db2.gz BQZNQUIFQVHHIO-UHFFFAOYSA-N 2 0 270.373 1.532 10 0 CDAERP COCCC[NH2+]C[C@@H](C)N(C)CC[NH+]1CCCC1 ZINC000063054255 523372134 /nfs/dbraw/zinc/37/21/34/523372134.db2.gz DARMXRGKBNKPIO-CQSZACIVSA-N 2 0 257.422 1.029 10 0 CDAERP COCC[N@H+]([C@@H](C)CCC[NH2+]C1CC1)[C@@H](C)COC ZINC000052572404 523781385 /nfs/dbraw/zinc/78/13/85/523781385.db2.gz BDFCYQVCVSYWLF-KBPBESRZSA-N 2 0 272.433 1.890 10 0 CDAERP CN1CC[NH+](C[C@H]2CC[C@H](C[NH2+]C(C)(C)C)O2)CC1 ZINC000052379548 523906479 /nfs/dbraw/zinc/90/64/79/523906479.db2.gz JPMIBNZBNYFHHF-ZIAGYGMSSA-N 2 0 269.433 1.170 10 0 CDAERP CC[C@H](C)[NH+]1CCN(Cc2cc(C[NH3+])co2)CC1 ZINC000055074265 523955463 /nfs/dbraw/zinc/95/54/63/523955463.db2.gz HWAXXAKEPPZKQP-LBPRGKRZSA-N 2 0 251.374 1.654 10 0 CDAERP CC[C@H](C)[NH+]1CCN(c2ccc(C(N)=[NH2+])cc2)CC1 ZINC000055067169 523960058 /nfs/dbraw/zinc/96/00/58/523960058.db2.gz GSGFVFSBCVEWOH-LBPRGKRZSA-N 2 0 260.385 1.891 10 0 CDAERP CC[C@H](C)[NH+]1CCN(c2cc(C[NH2+]C)ccn2)CC1 ZINC000055073475 523961136 /nfs/dbraw/zinc/96/11/36/523961136.db2.gz QHRNIUPAKLJKEW-ZDUSSCGKSA-N 2 0 262.401 1.722 10 0 CDAERP C[NH+](C)CCCOCc1cc(C[NH2+]C2CC2)co1 ZINC000052672546 524057964 /nfs/dbraw/zinc/05/79/64/524057964.db2.gz MVBZTPVTJPMHLA-UHFFFAOYSA-N 2 0 252.358 2.000 10 0 CDAERP CNC(=O)CCC[N@@H+]1CCC[C@@H](C[NH2+]CC(C)C)C1 ZINC000068847553 524063572 /nfs/dbraw/zinc/06/35/72/524063572.db2.gz HZCPROLXPUGEDZ-AWEZNQCLSA-N 2 0 269.433 1.470 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000246551336 524113282 /nfs/dbraw/zinc/11/32/82/524113282.db2.gz TVVWGQZNYVWDRF-AGIUHOORSA-N 2 0 253.390 1.104 10 0 CDAERP C[C@@H](C(=O)Nc1cccc(OCC[NH+](C)C)c1)C1C[NH2+]C1 ZINC000164033175 524273502 /nfs/dbraw/zinc/27/35/02/524273502.db2.gz CEMQIMRZZBQALZ-GFCCVEGCSA-N 2 0 291.395 1.421 10 0 CDAERP C[C@@H]1CCC[C@H](C(=O)NCC[NH+]2CCCCC2)[NH2+]1 ZINC000049575577 524346661 /nfs/dbraw/zinc/34/66/61/524346661.db2.gz XSZNLYFZWJCMAR-CHWSQXEVSA-N 2 0 253.390 1.119 10 0 CDAERP C[C@H](CNC(=O)CC[C@@H]1CCCC[NH2+]1)C[NH+]1CCCC1 ZINC000062076529 524379009 /nfs/dbraw/zinc/37/90/09/524379009.db2.gz YCBRTCBEDDCRTQ-CABCVRRESA-N 2 0 281.444 1.757 10 0 CDAERP C[C@@H](CC[NH+](C)C)NC(=O)C1CCC(C[NH3+])CC1 ZINC000055163025 524466083 /nfs/dbraw/zinc/46/60/83/524466083.db2.gz NZSZETBKOKDQLH-HIFPTAJRSA-N 2 0 255.406 1.208 10 0 CDAERP C[C@@H](CC[NH+](C)C)[NH2+]C[C@H](O)c1ccc2c(c1)OCCO2 ZINC000049557005 524474925 /nfs/dbraw/zinc/47/49/25/524474925.db2.gz FOCFTVGNGCGKIX-JSGCOSHPSA-N 2 0 294.395 1.421 10 0 CDAERP C[C@H](C[NH2+]C[C@@H]1CCCO1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062974548 524485494 /nfs/dbraw/zinc/48/54/94/524485494.db2.gz QBEIOSOVTCPVGZ-PMPSAXMXSA-N 2 0 281.444 1.314 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000049502504 524605655 /nfs/dbraw/zinc/60/56/55/524605655.db2.gz MPJIVJHTPBIOIC-HZSPNIEDSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000061656198 524685248 /nfs/dbraw/zinc/68/52/48/524685248.db2.gz NAEHVNZJHRXBNQ-RQJABVFESA-N 2 0 267.417 1.303 10 0 CDAERP C[C@@H]1CN([C@@H](C[NH3+])c2ccc3ncccc3c2)CC[N@@H+]1C ZINC000069502810 525057228 /nfs/dbraw/zinc/05/72/28/525057228.db2.gz LWNDWGISYMBRGI-DYVFJYSZSA-N 2 0 284.407 1.871 10 0 CDAERP C[C@@H]1C[C@@H]([NH3+])CC[C@@H]1C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000055131601 525246940 /nfs/dbraw/zinc/24/69/40/525246940.db2.gz AGIWDHVGEQFZDO-RQJABVFESA-N 2 0 267.417 1.303 10 0 CDAERP Cc1csc(C[NH2+]C[C@H]2CC23CC[NH2+]CC3)n1 ZINC000070257405 526356501 /nfs/dbraw/zinc/35/65/01/526356501.db2.gz NQOXWOJFDSLDEY-LLVKDONJSA-N 2 0 251.399 1.931 10 0 CDAERP Cc1nc(N2CCC[N@H+](C)CC2)sc1[C@@H](C)[NH3+] ZINC000054863916 526964352 /nfs/dbraw/zinc/96/43/52/526964352.db2.gz OEDBOIWXLSCBHK-SECBINFHSA-N 2 0 254.403 1.613 10 0 CDAERP Cn1cc(CN2CCC[N@H+](CCCCC[NH3+])CC2)cn1 ZINC000050539200 527200931 /nfs/dbraw/zinc/20/09/31/527200931.db2.gz KCNQRXGLBBGDEH-UHFFFAOYSA-N 2 0 279.432 1.057 10 0 CDAERP [NH3+]Cc1cccc(NC(=O)CCC[N@@H+]2CCCOCC2)c1 ZINC000061914960 527259143 /nfs/dbraw/zinc/25/91/43/527259143.db2.gz QJCNUQGIURIESK-UHFFFAOYSA-N 2 0 291.395 1.586 10 0 CDAERP NNc1ccc(C[N@@H+]2CCCC[C@@H]2CCO)c[nH+]1 ZINC000051146956 527278976 /nfs/dbraw/zinc/27/89/76/527278976.db2.gz LNCJPNFYHLRTEQ-GFCCVEGCSA-N 2 0 250.346 1.104 10 0 CDAERP CC[NH2+]CCNC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000418320577 535471024 /nfs/dbraw/zinc/47/10/24/535471024.db2.gz VHXCTUSPJYTYAE-NSHDSACASA-N 2 0 264.373 1.115 10 0 CDAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NC(C)(C)C[NH3+] ZINC000417192868 535939749 /nfs/dbraw/zinc/93/97/49/535939749.db2.gz LAUDOHUCTQSWKP-CQSZACIVSA-N 2 0 292.427 1.196 10 0 CDAERP C[NH2+][C@H]1CCCN(C(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000334936524 536409600 /nfs/dbraw/zinc/40/96/00/536409600.db2.gz QMCBEZGZAFZTLW-ZDUSSCGKSA-N 2 0 282.432 1.432 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCOc1ccc(C)cc1 ZINC000422751259 536594943 /nfs/dbraw/zinc/59/49/43/536594943.db2.gz FRFUTTDWNVPDNS-CQSZACIVSA-N 2 0 266.385 1.717 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+]CCCF)C1 ZINC001688951431 1175076641 /nfs/dbraw/zinc/07/66/41/1175076641.db2.gz UKUAYYXDAURWFK-JOCQHMNTSA-N 2 0 273.396 1.171 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)CCF ZINC001689802060 1175262048 /nfs/dbraw/zinc/26/20/48/1175262048.db2.gz KPOCPBFULRCANH-CYBMUJFWSA-N 2 0 273.396 1.267 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001690294005 1175429538 /nfs/dbraw/zinc/42/95/38/1175429538.db2.gz PIPFWRFCIFETMB-SHTZXODSSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H](CN[C@H]1CC[NH2+]C12CCCC2)C[NH+]1CCOCC1 ZINC000925510622 617412162 /nfs/dbraw/zinc/41/21/62/617412162.db2.gz YFXUTUHYEBQIBC-GJZGRUSLSA-N 2 0 281.444 1.219 10 0 CDAERP C[N@@H+]1CCC[C@H]1CN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925565610 617514657 /nfs/dbraw/zinc/51/46/57/617514657.db2.gz VCZQBINDTKISHN-RFQIPJPRSA-N 2 0 251.418 1.447 10 0 CDAERP CN(C)C(=O)CCC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925588730 617535785 /nfs/dbraw/zinc/53/57/85/617535785.db2.gz ZEOKKGIXNPEOAV-RYUDHWBXSA-N 2 0 255.406 1.350 10 0 CDAERP Cc1noc(CCC[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)n1 ZINC000925592555 617538659 /nfs/dbraw/zinc/53/86/59/617538659.db2.gz IQLZAYLWTHWESD-RYUDHWBXSA-N 2 0 266.389 1.806 10 0 CDAERP Cc1cccc([C@H](O)C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925606801 617549765 /nfs/dbraw/zinc/54/97/65/617549765.db2.gz LLVPXURCJPSUOM-QLFBSQMISA-N 2 0 260.381 1.888 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)C12CCC2 ZINC000925608574 617553176 /nfs/dbraw/zinc/55/31/76/617553176.db2.gz FMLXKIPZDBMECT-RBSFLKMASA-N 2 0 281.444 1.083 10 0 CDAERP C[NH+]1C[C@]2(C)CN(CC[C@H]3CCC[N@@H+]3C)C[C@@]2(C)C1 ZINC000931312555 617704917 /nfs/dbraw/zinc/70/49/17/617704917.db2.gz UGBUQGDDPNUUJJ-BZUAXINKSA-N 2 0 265.445 1.744 10 0 CDAERP O[C@H](C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)C1CCC1 ZINC000925694578 617712453 /nfs/dbraw/zinc/71/24/53/617712453.db2.gz UTMMSMUHPXFFGR-HRCADAONSA-N 2 0 266.429 1.905 10 0 CDAERP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCO[C@@H]1CCOC1 ZINC000931765034 617720507 /nfs/dbraw/zinc/72/05/07/617720507.db2.gz UZYDPIOHQZLNHU-GDBMZVCRSA-N 2 0 291.395 1.398 10 0 CDAERP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@H]1CC[NH2+]C3(CCC3)C1)[NH2+]2 ZINC000925703265 617765137 /nfs/dbraw/zinc/76/51/37/617765137.db2.gz CPGNVDRQDGKSLN-GZBLMMOJSA-N 2 0 263.429 1.780 10 0 CDAERP C[C@@H]([NH2+]CCc1ccc2ncccc2c1)C1C[NH2+]C1 ZINC000925814505 617765343 /nfs/dbraw/zinc/76/53/43/617765343.db2.gz MKDAOMBAFPEYSM-GFCCVEGCSA-N 2 0 255.365 1.975 10 0 CDAERP OC1(C2(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)CCOCC1 ZINC000925825562 617808005 /nfs/dbraw/zinc/80/80/05/617808005.db2.gz GOKZVKHPXVLZJL-RRFJBIMHSA-N 2 0 294.439 1.286 10 0 CDAERP C[N@H+]1CC=C(C[NH2+][C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000925711495 617808082 /nfs/dbraw/zinc/80/80/82/617808082.db2.gz ZRXZGIFIWSVUSW-HOTGVXAUSA-N 2 0 263.429 1.855 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]([NH2+]CC2(C3(O)CCOCC3)CC2)C1 ZINC000925827502 617840214 /nfs/dbraw/zinc/84/02/14/617840214.db2.gz UVQBGSQMHWHIIU-OLZOCXBDSA-N 2 0 268.401 1.168 10 0 CDAERP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925840499 617870926 /nfs/dbraw/zinc/87/09/26/617870926.db2.gz MMEUJTMVZKJESD-LXTVHRRPSA-N 3 0 251.418 1.626 10 0 CDAERP CCCN(C(=O)C=C1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC000852854324 617984512 /nfs/dbraw/zinc/98/45/12/617984512.db2.gz DPMJGPWOFYUKHC-UHFFFAOYSA-N 2 0 265.401 1.287 10 0 CDAERP C[C@H](CN1CCCC1=O)[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925504929 618173449 /nfs/dbraw/zinc/17/34/49/618173449.db2.gz MXFDTKAYCQSNIM-BMFZPTHFSA-N 2 0 293.455 1.755 10 0 CDAERP Cc1cc([C@H]([NH3+])CC(=O)N2CC[NH2+][C@H](C)C2)cc(Cl)n1 ZINC000841848353 618718722 /nfs/dbraw/zinc/71/87/22/618718722.db2.gz GBWBXVFPHNMUSZ-ZYHUDNBSSA-N 2 0 296.802 1.254 10 0 CDAERP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCOC23CCOCC3)C1 ZINC000925009446 618764520 /nfs/dbraw/zinc/76/45/20/618764520.db2.gz HJYPCKUOGHIJMB-KBPBESRZSA-N 2 0 268.401 1.256 10 0 CDAERP C[C@@H]1OC[C@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)[C@@H]1C ZINC000925024979 618800210 /nfs/dbraw/zinc/80/02/10/618800210.db2.gz YWMOOZYDFAEZOO-QPSCCSFWSA-N 2 0 270.417 1.236 10 0 CDAERP Cc1coc(CN(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000894763859 619051272 /nfs/dbraw/zinc/05/12/72/619051272.db2.gz CGMBXXDWUPEEAF-UHFFFAOYSA-N 2 0 253.390 1.513 10 0 CDAERP CCOC(=O)CC(C)(C)C[NH2+]CC[C@@H](C)[NH+](C)C ZINC000895294609 619523706 /nfs/dbraw/zinc/52/37/06/619523706.db2.gz XJPNYFOUQWWVPA-GFCCVEGCSA-N 2 0 258.406 1.896 10 0 CDAERP C[C@H]1CO[C@@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1 ZINC000896622373 620170697 /nfs/dbraw/zinc/17/06/97/620170697.db2.gz FLLVSVIDABOBNQ-HUUCEWRRSA-N 2 0 299.459 1.143 10 0 CDAERP C([NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000902793084 625407659 /nfs/dbraw/zinc/40/76/59/625407659.db2.gz FKHASMIHBYLLRN-CWOLKXNVSA-N 2 0 292.423 1.253 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H](CO)Cc1ccco1 ZINC000925287373 620879477 /nfs/dbraw/zinc/87/94/77/620879477.db2.gz QCXZOWIIRWCRNN-ZNUWXHPXSA-N 2 0 278.396 1.360 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CCN(C(=O)C2CC2)CC1 ZINC000924632573 621611635 /nfs/dbraw/zinc/61/16/35/621611635.db2.gz FVGPWXJGYCQNMU-MZBDJJRSSA-N 2 0 291.439 1.317 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000841065159 621643370 /nfs/dbraw/zinc/64/33/70/621643370.db2.gz YFRNRVSDWWAWII-RXGFPQBGSA-N 2 0 272.483 1.954 10 0 CDAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=[NH2+])N[C@H](C)C2CC2)C1 ZINC000899263887 622127359 /nfs/dbraw/zinc/12/73/59/622127359.db2.gz UDIXMFHJONRBTA-TZMCWYRMSA-N 2 0 282.432 1.256 10 0 CDAERP C[C@H](CNC(=[NH2+])N[C@@H](C)C1CC1)[NH+]1CCCCC1 ZINC000899265060 622128805 /nfs/dbraw/zinc/12/88/05/622128805.db2.gz RUNLSFJWCTYYFU-NEPJUHHUSA-N 2 0 252.406 1.773 10 0 CDAERP c1c([C@H]2CCCC[NH2+]2)nnn1C[C@H]1CCCC[NH2+]C1 ZINC000899742016 622404278 /nfs/dbraw/zinc/40/42/78/622404278.db2.gz RJFMXVJEIZTYDJ-QWHCGFSZSA-N 2 0 263.389 1.482 10 0 CDAERP COCCN(CC[NH+](C)C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900586572 623260305 /nfs/dbraw/zinc/26/03/05/623260305.db2.gz FFAUJHPGLYNKHL-HUUCEWRRSA-N 2 0 297.443 1.040 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)C1CCCC1 ZINC000900589527 623266017 /nfs/dbraw/zinc/26/60/17/623266017.db2.gz XPMWZMCNDFTPOW-JKSUJKDBSA-N 2 0 293.455 1.994 10 0 CDAERP C1CC1[C@@H]1COC[C@H]1[NH2+][C@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000902516039 624912935 /nfs/dbraw/zinc/91/29/35/624912935.db2.gz CBRMYZUBWSXOHJ-UVPYHEFZSA-N 2 0 280.412 1.158 10 0 CDAERP CC[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@H](CC)CN1C(C)=O ZINC000903439962 625992450 /nfs/dbraw/zinc/99/24/50/625992450.db2.gz RSYHRPUKTMSGCT-QKPAOTATSA-N 2 0 281.444 1.835 10 0 CDAERP Cn1nc(CN2CCC[C@H](CC[NH3+])C2)cc1C(F)(F)F ZINC000903450628 626000415 /nfs/dbraw/zinc/00/04/15/626000415.db2.gz YSJMIQVDHZCZHO-SNVBAGLBSA-N 2 0 290.333 2.000 10 0 CDAERP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000903490861 626010533 /nfs/dbraw/zinc/01/05/33/626010533.db2.gz KLSFLMDFPOKQBQ-PMPSAXMXSA-N 2 0 260.381 1.230 10 0 CDAERP COC[C@@H](C[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1)C(C)C ZINC000903494530 626011388 /nfs/dbraw/zinc/01/13/88/626011388.db2.gz ITAHOQOOQBRTOR-CTASWTNQSA-N 2 0 298.427 1.117 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCCC1CCC1)C2 ZINC000903494284 626011419 /nfs/dbraw/zinc/01/14/19/626011419.db2.gz AROOGOFKACWQFS-LZWOXQAQSA-N 2 0 280.412 1.779 10 0 CDAERP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCO[C@@H](C)CC2)cc1 ZINC000903570275 626028431 /nfs/dbraw/zinc/02/84/31/626028431.db2.gz YHLONRRIDXGZDE-ZFWWWQNUSA-N 2 0 278.396 1.848 10 0 CDAERP C([C@@H]1CCCC[NH2+]C1)[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000903759095 626088624 /nfs/dbraw/zinc/08/86/24/626088624.db2.gz OPKHQRBQAOENET-OAHLLOKOSA-N 2 0 282.428 1.505 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@H+](C)C[C@H]2CCCOC2)cnn1C ZINC000903890511 626124898 /nfs/dbraw/zinc/12/48/98/626124898.db2.gz DCXQKVLBTLPBED-HUUCEWRRSA-N 2 0 294.443 1.204 10 0 CDAERP OCC[N@@H+](Cc1cccnc1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903890605 626125168 /nfs/dbraw/zinc/12/51/68/626125168.db2.gz FZCWJTCQLUCINJ-MQVJKMGUSA-N 2 0 275.396 1.407 10 0 CDAERP CCC[N@H+](C[C@H](C[NH3+])Cc1cnn(C)c1C)CC1CC1 ZINC000903873800 626127799 /nfs/dbraw/zinc/12/77/99/626127799.db2.gz MEJDXFNJOAIBDB-HNNXBMFYSA-N 2 0 278.444 1.968 10 0 CDAERP CC[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)CC1CC1 ZINC000903893484 626135146 /nfs/dbraw/zinc/13/51/46/626135146.db2.gz WOWHNWZOFMROGQ-CYBMUJFWSA-N 2 0 263.389 1.435 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[NH+]2CCC(C)(C)CC2)cnn1C ZINC000903903786 626140183 /nfs/dbraw/zinc/14/01/83/626140183.db2.gz NEMDIAHJIWMBMJ-AWEZNQCLSA-N 2 0 278.444 1.968 10 0 CDAERP CC[C@H]([NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1)[C@@H]1CCCO1 ZINC000903923253 626148366 /nfs/dbraw/zinc/14/83/66/626148366.db2.gz OXVDMUNEQBJXOV-QEJZJMRPSA-N 2 0 293.415 1.250 10 0 CDAERP [NH3+][C@H](C[NH2+][C@H]1CNc2ccccc2C1)CC(F)F ZINC000903931201 626151721 /nfs/dbraw/zinc/15/17/21/626151721.db2.gz ARBHQJYWKHGAHD-WDEREUQCSA-N 2 0 255.312 1.595 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[NH2+][C@]23C[C@H]2CCCC3)cnn1C ZINC000903935107 626153476 /nfs/dbraw/zinc/15/34/76/626153476.db2.gz MXVUILVCDQWNGZ-FVQBIDKESA-N 2 0 276.428 1.768 10 0 CDAERP [NH3+][C@@H](C[NH2+][C@H]1CCCCC12CC[NH2+]CC2)CC(F)F ZINC000903937984 626155762 /nfs/dbraw/zinc/15/57/62/626155762.db2.gz WSFSBTNKPFQJMY-NEPJUHHUSA-N 3 0 275.387 1.871 10 0 CDAERP C[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)C1CC[NH2+]CC1 ZINC000903937443 626155925 /nfs/dbraw/zinc/15/59/25/626155925.db2.gz LAHZESYJOXWWNB-ZDUSSCGKSA-N 3 0 273.424 1.810 10 0 CDAERP CC(C)(C)[NH2+]CCN[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903970203 626167719 /nfs/dbraw/zinc/16/77/19/626167719.db2.gz RWUSTGOMCBXHTM-ZDUSSCGKSA-N 2 0 269.433 1.123 10 0 CDAERP CCOC(=O)N1CCC([NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903974767 626169276 /nfs/dbraw/zinc/16/92/76/626169276.db2.gz RXHJKSBANFIXCV-CHWSQXEVSA-N 2 0 283.416 1.443 10 0 CDAERP CCOC(=O)c1ccc(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)o1 ZINC000903975117 626169671 /nfs/dbraw/zinc/16/96/71/626169671.db2.gz XNFKUDTVCNDDBZ-VXGBXAGGSA-N 2 0 280.368 1.792 10 0 CDAERP COC(=O)c1coc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000903977240 626169977 /nfs/dbraw/zinc/16/99/77/626169977.db2.gz MJYDZMVILVNSIE-GHMZBOCLSA-N 2 0 266.341 1.483 10 0 CDAERP COc1cccc2c1CC[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)C2 ZINC000903967046 626172246 /nfs/dbraw/zinc/17/22/46/626172246.db2.gz FLHIEOJTUXSKCM-VHDGCEQUSA-N 2 0 274.408 1.998 10 0 CDAERP c1ccc(CSCCN2CC[NH2+]CC[NH2+]CC2)cc1 ZINC000904397032 626273378 /nfs/dbraw/zinc/27/33/78/626273378.db2.gz WLAOCIVKVLLBHS-UHFFFAOYSA-N 2 0 279.453 1.415 10 0 CDAERP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+][C@H]1CNOC1 ZINC000904426979 626289899 /nfs/dbraw/zinc/28/98/99/626289899.db2.gz LUPSSNVAJCAGSV-HNNXBMFYSA-N 2 0 291.395 1.154 10 0 CDAERP C(c1noc([C@@H]2C[C@@]23CC[NH2+]C3)n1)C1CC[NH2+]CC1 ZINC000905314337 626744292 /nfs/dbraw/zinc/74/42/92/626744292.db2.gz NXWCJWPCOWCAFI-SMDDNHRTSA-N 2 0 262.357 1.079 10 0 CDAERP [NH3+]Cc1ccc(-c2noc([C@H]3[C@@H]4CC[NH2+]C[C@@H]43)n2)cc1 ZINC000905306747 626756908 /nfs/dbraw/zinc/75/69/08/626756908.db2.gz GRESKHIRTLMKMY-AGIUHOORSA-N 2 0 270.336 1.518 10 0 CDAERP C[C@@H](NC(=O)[C@@]12CC[N@H+](C1)CCC2)C1=CC[NH+](C)CC1 ZINC000907286071 627592771 /nfs/dbraw/zinc/59/27/71/627592771.db2.gz UZYFHRZCNGGHDH-CJNGLKHVSA-N 2 0 277.412 1.239 10 0 CDAERP C/C(Cl)=C\C(=O)NCCN(C)CCC[NH+](C)C ZINC000912387616 629970311 /nfs/dbraw/zinc/97/03/11/629970311.db2.gz QGMMVELJBRATKF-ZHACJKMWSA-N 2 0 261.797 1.129 10 0 CDAERP C[NH+](C)C1(C(=O)N2CCC(C)([NH+](C)C)CC2)CC1 ZINC000913389981 630460372 /nfs/dbraw/zinc/46/03/72/630460372.db2.gz PKLWHEQVEZDDND-UHFFFAOYSA-N 2 0 253.390 1.023 10 0 CDAERP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H](O)C2(O)CCCC2)C1 ZINC000929751193 630734404 /nfs/dbraw/zinc/73/44/04/630734404.db2.gz YBQGIVCCXFBIRC-HUUCEWRRSA-N 2 0 284.444 1.316 10 0 CDAERP C[N@@H+]1CC[C@H]1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000920658620 632820400 /nfs/dbraw/zinc/82/04/00/632820400.db2.gz FXWWEJZISXDPFL-GSPSYOTPSA-N 2 0 280.416 1.005 10 0 CDAERP C[C@@H]1[C@H](NC(=O)N(C)CCC[NH+]2CCCC2)CC[N@@H+]1C ZINC000925337564 633015445 /nfs/dbraw/zinc/01/54/45/633015445.db2.gz ICXBCAJQFKIPTJ-ZIAGYGMSSA-N 2 0 282.432 1.206 10 0 CDAERP CC1(C)CC[C@H](C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)OC1 ZINC000713597215 682465774 /nfs/dbraw/zinc/46/57/74/682465774.db2.gz RSHBVNPMBQIDLU-REWJHTLYSA-N 2 0 252.402 1.861 10 0 CDAERP [NH3+]CCCCCCC[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923451394 682829924 /nfs/dbraw/zinc/82/99/24/682829924.db2.gz NIYQBMBJSOBVPT-OAHLLOKOSA-N 3 0 283.460 1.725 10 0 CDAERP C[C@H]1[C@@H](NC(=O)NC2CCC([NH+](C)C)CC2)CC[N@@H+]1C ZINC000922931369 683776352 /nfs/dbraw/zinc/77/63/52/683776352.db2.gz QUXVJRKAZKWWOR-ABXWRUBCSA-N 2 0 282.432 1.251 10 0 CDAERP C[NH+]1CCC(C[NH+]2CCC(c3ncc[nH]3)CC2)CC1 ZINC000788481076 679723678 /nfs/dbraw/zinc/72/36/78/679723678.db2.gz DQFJLCXFGVGABV-UHFFFAOYSA-N 2 0 262.401 1.931 10 0 CDAERP CON(C)C(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000089262748 679726108 /nfs/dbraw/zinc/72/61/08/679726108.db2.gz RXUIXDIAOUMAJN-UHFFFAOYSA-N 2 0 297.443 1.594 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001699623779 1158505877 /nfs/dbraw/zinc/50/58/77/1158505877.db2.gz KLFMOIMIEVBHKS-OAHLLOKOSA-N 2 0 281.444 1.851 10 0 CDAERP COc1ccc(C[NH2+][C@H](C)C2C[NH2+]C2)c(C)c1OC ZINC000925877117 679744571 /nfs/dbraw/zinc/74/45/71/679744571.db2.gz LQLWDTCNOBFMBE-LLVKDONJSA-N 2 0 264.369 1.710 10 0 CDAERP CCC[C@@H]1CN(CCC[NH2+]C2CC2)CC[N@@H+]1CCOC ZINC000923374428 679745871 /nfs/dbraw/zinc/74/58/71/679745871.db2.gz XGJOYWUBALTFSD-MRXNPFEDSA-N 2 0 283.460 1.561 10 0 CDAERP O[C@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)C1CC1 ZINC000838853812 679750665 /nfs/dbraw/zinc/75/06/65/679750665.db2.gz JAXIUJQILABSQK-DZGCQCFKSA-N 2 0 252.402 1.565 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H](CNC2=[NH+]CCCCN2)C1 ZINC000849216680 679760325 /nfs/dbraw/zinc/76/03/25/679760325.db2.gz ANNGTMOXBHPPKN-AWEZNQCLSA-N 2 0 266.433 1.683 10 0 CDAERP Cc1nccn1CC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925534892 679763993 /nfs/dbraw/zinc/76/39/93/679763993.db2.gz RBEAQCJIYHKJPQ-QWHCGFSZSA-N 2 0 250.390 1.687 10 0 CDAERP CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923510663 679778644 /nfs/dbraw/zinc/77/86/44/679778644.db2.gz WHMCMAJPHHSBPM-RBSFLKMASA-N 2 0 281.444 1.694 10 0 CDAERP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000714248104 679779288 /nfs/dbraw/zinc/77/92/88/679779288.db2.gz WTECXLCFBRPJMC-XUXIUFHCSA-N 2 0 288.457 1.462 10 0 CDAERP O=C(NC12CC[NH+](CC1)C2)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000913633806 679785569 /nfs/dbraw/zinc/78/55/69/679785569.db2.gz PDMGCBLAZVGZJI-OAHLLOKOSA-N 2 0 291.439 1.748 10 0 CDAERP Cc1nc2n(n1)C[C@H]([NH2+][C@H]1[C@@H]3CCC[NH2+][C@@H]3C1(C)C)CC2 ZINC000925575969 679788367 /nfs/dbraw/zinc/78/83/67/679788367.db2.gz HWPZGLQYBSZRPR-UXOAXIEHSA-N 2 0 289.427 1.268 10 0 CDAERP OCCCCC[NH+]1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000931497774 679815535 /nfs/dbraw/zinc/81/55/35/679815535.db2.gz URPVLWVDWCHQQI-UHFFFAOYSA-N 2 0 297.487 1.643 10 0 CDAERP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925843884 679835966 /nfs/dbraw/zinc/83/59/66/679835966.db2.gz HMGSQXZQRPFZOQ-WBVHZDCISA-N 2 0 294.487 1.134 10 0 CDAERP C[C@]1(CNc2ccc3c(c2)C[NH2+]CCO3)CC[NH2+]C1 ZINC000843125548 679843723 /nfs/dbraw/zinc/84/37/23/679843723.db2.gz BWZAXLKQVRPXFE-HNNXBMFYSA-N 2 0 261.369 1.580 10 0 CDAERP FC(F)[C@H]1C[NH2+]CCN1CCCC1CC[NH2+]CC1 ZINC000843385867 679848106 /nfs/dbraw/zinc/84/81/06/679848106.db2.gz UOLYNQJARUUQLV-GFCCVEGCSA-N 2 0 261.360 1.305 10 0 CDAERP C[C@@H]1CC[C@H](C[N@@H+]2C[C@@]3(C)CN(C)C[C@@]3(C)C2)O1 ZINC000931314000 679855683 /nfs/dbraw/zinc/85/56/83/679855683.db2.gz IBUZGBZJYWPGJL-TUVASFSCSA-N 2 0 252.402 1.828 10 0 CDAERP CC1([C@@H]2CCC[N@@H+](C[C@]3(C)CC[NH2+]C3)C2)OCCO1 ZINC000262006848 679863280 /nfs/dbraw/zinc/86/32/80/679863280.db2.gz LXMMMLDABIHZMG-ZIAGYGMSSA-N 2 0 268.401 1.461 10 0 CDAERP [NH3+]CC(C[NH3+])NC[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC000923356955 679864383 /nfs/dbraw/zinc/86/43/83/679864383.db2.gz RJWTWOIEPYRCED-CABCVRRESA-N 2 0 263.385 1.172 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)C1 ZINC000870950421 679866036 /nfs/dbraw/zinc/86/60/36/679866036.db2.gz DXHLVPXTMWNRTF-LJIGWXMPSA-N 2 0 291.439 1.352 10 0 CDAERP CNC(=O)[C@H](CCSC)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925669258 679866937 /nfs/dbraw/zinc/86/69/37/679866937.db2.gz RYTHWMJUTZIFET-WOPDTQHZSA-N 2 0 287.473 1.350 10 0 CDAERP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]C[C@H](O)CC(C)(C)O)C1 ZINC000871973949 681848847 /nfs/dbraw/zinc/84/88/47/681848847.db2.gz PQARVSKUCCVKEU-RBSFLKMASA-N 2 0 286.460 1.466 10 0 CDAERP C[C@@H]1C[C@@H]([N@H+](C)CC[C@@H]2CCOC2=O)CCN1C ZINC000120710439 681191090 /nfs/dbraw/zinc/19/10/90/681191090.db2.gz JLPOTSXDHDTLAP-UPJWGTAASA-N 2 0 254.374 1.354 10 0 CDAERP COCCC[NH+]1CCC([NH2+][C@H](C)C(C)(C)CO)CC1 ZINC000924913574 681199940 /nfs/dbraw/zinc/19/99/40/681199940.db2.gz XQPHJEONZQZDPR-CYBMUJFWSA-N 2 0 272.433 1.484 10 0 CDAERP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C[C@H]1CC[C@H](C2CC2)O1 ZINC000722315092 681242989 /nfs/dbraw/zinc/24/29/89/681242989.db2.gz MNMPRMNQINREQI-MCIONIFRSA-N 2 0 252.402 1.922 10 0 CDAERP C[NH+](C)[C@@H]1[C@H]2CN(C[C@H]3CC[C@@H](C4CC4)O3)C[C@H]21 ZINC000931276854 681571179 /nfs/dbraw/zinc/57/11/79/681571179.db2.gz JUYSSKWIGMJVIR-MRLBHPIUSA-N 2 0 250.386 1.436 10 0 CDAERP c1cn(CC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)cn1 ZINC000925507928 681601552 /nfs/dbraw/zinc/60/15/52/681601552.db2.gz DAULAULIOVXADZ-CABCVRRESA-N 2 0 262.401 1.641 10 0 CDAERP CCOC(=O)C1=CC[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925718950 681666261 /nfs/dbraw/zinc/66/62/61/681666261.db2.gz KSCBUQAQFLWTLY-YNEHKIRRSA-N 2 0 264.369 1.498 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)C1 ZINC000870943607 681703448 /nfs/dbraw/zinc/70/34/48/681703448.db2.gz QJVKHJHDYOZUGE-TZDHZFECSA-N 2 0 285.391 1.117 10 0 CDAERP [NH3+]CCN(CCc1ccccc1)C(=O)CC[NH2+]CC1CC1 ZINC000870943510 681744464 /nfs/dbraw/zinc/74/44/64/681744464.db2.gz NNJZJNNDKXFHOY-UHFFFAOYSA-N 2 0 289.423 1.406 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC000715220662 681751199 /nfs/dbraw/zinc/75/11/99/681751199.db2.gz HSKACNQMPJWEQQ-HDJSIYSDSA-N 2 0 281.444 1.837 10 0 CDAERP CCCn1ncnc1C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923453476 681756994 /nfs/dbraw/zinc/75/69/94/681756994.db2.gz XCUQKMYHVLAXHU-CYBMUJFWSA-N 2 0 293.415 1.018 10 0 CDAERP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H]3C[C@@H]4COC[C@H]4O3)CC[C@H]21 ZINC000929847678 681780728 /nfs/dbraw/zinc/78/07/28/681780728.db2.gz NDLHWBYDTIHSDX-IBEHDNSVSA-N 2 0 280.412 1.206 10 0 CDAERP C[C@@H]1[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CO[C@H]1C ZINC000925558516 681813763 /nfs/dbraw/zinc/81/37/63/681813763.db2.gz GCYVOKWXQNHRAY-XSIBGMEISA-N 2 0 296.455 1.767 10 0 CDAERP CC(C)[NH+]1CCN(CCC[NH2+][C@H](CO)C2CCC2)CC1 ZINC000661156915 681823021 /nfs/dbraw/zinc/82/30/21/681823021.db2.gz ZHPXDVJDASZXNS-MRXNPFEDSA-N 2 0 283.460 1.153 10 0 CDAERP Cc1ccc(NC(=O)C2=NO[C@H](C[NH3+])C2)c(C[NH+](C)C)c1 ZINC000852868219 681829480 /nfs/dbraw/zinc/82/94/80/681829480.db2.gz AINCUSIYCXKOGL-LBPRGKRZSA-N 2 0 290.367 1.099 10 0 CDAERP C(CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)CCN1CC[NH2+]CC1 ZINC000925842321 681876949 /nfs/dbraw/zinc/87/69/49/681876949.db2.gz LONNFXLMBTYRQZ-BRWVUGGUSA-N 3 0 294.487 1.040 10 0 CDAERP CC[C@H]1CCN(C(=[NH2+])NCC2([NH+](C)C)CCOCC2)C1 ZINC000864458893 681877391 /nfs/dbraw/zinc/87/73/91/681877391.db2.gz VWQXWOPKEQYAKM-ZDUSSCGKSA-N 2 0 282.432 1.353 10 0 CDAERP CN(CCCCCC[NH3+])c1ccnc(N2CCOCC2)n1 ZINC000871665938 681887098 /nfs/dbraw/zinc/88/70/98/681887098.db2.gz KEFLVQJPYIRCRD-UHFFFAOYSA-N 2 0 293.415 1.269 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+]Cc1ccc(F)nc1C ZINC000785514201 681891472 /nfs/dbraw/zinc/89/14/72/681891472.db2.gz CJRDCUMXXRDUCL-UHFFFAOYSA-N 2 0 283.391 1.977 10 0 CDAERP C[NH+](C)CCOCC[NH2+][C@@H](C1CC1)C1CCOCC1 ZINC000926256686 681894616 /nfs/dbraw/zinc/89/46/16/681894616.db2.gz YKZSNLAQGOLEFR-HNNXBMFYSA-N 2 0 270.417 1.359 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000870931267 681935678 /nfs/dbraw/zinc/93/56/78/681935678.db2.gz AWMKSAGLEWVVSC-WOSRLPQWSA-N 2 0 277.412 1.104 10 0 CDAERP Cc1cc([C@@H]([NH3+])CC(=O)NC[C@@H]([NH3+])C(C)C)cc(Cl)n1 ZINC000841848524 682044671 /nfs/dbraw/zinc/04/46/71/682044671.db2.gz LAJLAESOUAMPJL-NWDGAFQWSA-N 2 0 298.818 1.533 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC(=O)NC[C@H]2c2ccccc2)C1 ZINC000923558410 682061399 /nfs/dbraw/zinc/06/13/99/682061399.db2.gz RINJUURMTTXGEN-CFVMTHIKSA-N 2 0 273.380 1.287 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C[C@H]1C ZINC000872285688 682074829 /nfs/dbraw/zinc/07/48/29/682074829.db2.gz CPQDODBCYJILPS-NJURLYQPSA-N 2 0 279.428 1.445 10 0 CDAERP CC(C)[NH2+]CCC(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000870991348 682116069 /nfs/dbraw/zinc/11/60/69/682116069.db2.gz DWJWFPJRSGZYRO-OAHLLOKOSA-N 2 0 269.433 1.598 10 0 CDAERP [NH3+][C@H](C[C@@H]1CCC[N@H+](CC(=O)NC2CC2)C1)C1CCCC1 ZINC000872158196 682145967 /nfs/dbraw/zinc/14/59/67/682145967.db2.gz ZKYJDCATACWHPH-XJKSGUPXSA-N 2 0 293.455 1.885 10 0 CDAERP C[C@@H]1C[N@H+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CC[C@@H]1C[NH3+] ZINC000720895195 682146492 /nfs/dbraw/zinc/14/64/92/682146492.db2.gz XNDRNGLTNAPHKO-SEBNEYGDSA-N 2 0 252.402 1.861 10 0 CDAERP OCC1([NH2+]C[C@H](O)C[NH+]2CCCC2)CCCCCCC1 ZINC000713472159 682152408 /nfs/dbraw/zinc/15/24/08/682152408.db2.gz FIFHYWPEVGKXFN-HNNXBMFYSA-N 2 0 284.444 1.508 10 0 CDAERP CN(CCCCCC[NH3+])Cc1nc(C(C)(C)[NH3+])no1 ZINC000872155613 682159499 /nfs/dbraw/zinc/15/94/99/682159499.db2.gz WOKJLDKRNYAKIG-UHFFFAOYSA-N 3 0 269.393 1.214 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccc(F)cc2)C12CCC2 ZINC000925561426 682165466 /nfs/dbraw/zinc/16/54/66/682165466.db2.gz BTZVZIAGGKUKCB-CFVMTHIKSA-N 2 0 294.370 1.425 10 0 CDAERP CCCCCCNC(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923497231 682188114 /nfs/dbraw/zinc/18/81/14/682188114.db2.gz ASOCGTHAHNTMLY-ZIAGYGMSSA-N 2 0 269.433 1.600 10 0 CDAERP CCOC(=O)CCCC[N@@H+]1CC[NH2+]CCC1(C)C ZINC000866699418 682191787 /nfs/dbraw/zinc/19/17/87/682191787.db2.gz OBZLXRDLXQIPOW-UHFFFAOYSA-N 2 0 256.390 1.794 10 0 CDAERP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC[C@@H](N(C)C)C(F)(F)F ZINC000925837076 682206209 /nfs/dbraw/zinc/20/62/09/682206209.db2.gz NLWOULWPZIKFBD-IJLUTSLNSA-N 2 0 281.366 1.847 10 0 CDAERP C[C@H]([NH3+])C1CC[NH+](C[C@H](O)CC2CCCC2)CC1 ZINC000232121594 682210452 /nfs/dbraw/zinc/21/04/52/682210452.db2.gz NYLFDVLMVZTSED-SWLSCSKDSA-N 2 0 254.418 1.987 10 0 CDAERP CC(C)[NH+]1CCC(N[C@@H]2C[N@@H+]3C[C@@H]2CCC3)CC1 ZINC000925302821 682238795 /nfs/dbraw/zinc/23/87/95/682238795.db2.gz IYRVHBXTCXBSEH-DZGCQCFKSA-N 2 0 251.418 1.543 10 0 CDAERP C[NH+](C)C1(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000841454959 682311709 /nfs/dbraw/zinc/31/17/09/682311709.db2.gz WTPFWIRDWIMFJM-OAHLLOKOSA-N 2 0 285.407 1.409 10 0 CDAERP CCc1nncn1CC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925513092 682319150 /nfs/dbraw/zinc/31/91/50/682319150.db2.gz FGINYCLOXZDTSR-KWCYVHTRSA-N 2 0 277.416 1.207 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CC[C@@H]1CC(C)(C)CO1 ZINC000717312735 682323988 /nfs/dbraw/zinc/32/39/88/682323988.db2.gz HTHGACZKJWIMEJ-CHWSQXEVSA-N 2 0 258.406 1.535 10 0 CDAERP CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923452857 682338207 /nfs/dbraw/zinc/33/82/07/682338207.db2.gz IPJNTEHFNGGUEN-BFHYXJOUSA-N 2 0 297.443 1.119 10 0 CDAERP C[N@@H+]1CC[C@@H]2[C@H](CCCN2CN2C[C@H]3CCC[C@@H]3C2=O)C1 ZINC000840029207 682340959 /nfs/dbraw/zinc/34/09/59/682340959.db2.gz FCLKCIAXGGRWIG-LVQVYYBASA-N 2 0 291.439 1.619 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@H]1NC[C@@H]1C[NH2+]CCC1(F)F ZINC000925776497 682371712 /nfs/dbraw/zinc/37/17/12/682371712.db2.gz KTLIGQOMADMYEN-SDDRHHMPSA-N 2 0 261.360 1.338 10 0 CDAERP CN(C[C@H](O)C[NH2+]CC[C@H]1CC(C)(C)CO1)C1CC1 ZINC000717349745 682375269 /nfs/dbraw/zinc/37/52/69/682375269.db2.gz WUGKXULJUQOYAU-KGLIPLIRSA-N 2 0 270.417 1.236 10 0 CDAERP CC1(C)CCC[C@@H](C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)O1 ZINC000923516245 682385453 /nfs/dbraw/zinc/38/54/53/682385453.db2.gz WQDWOBQNGLSBBU-MJBXVCDLSA-N 2 0 252.402 1.875 10 0 CDAERP C[C@H]1[C@@H](NC(=O)N(C)[C@H]2CC[NH+](C)C[C@H]2C)CC[N@@H+]1C ZINC000925328842 682396972 /nfs/dbraw/zinc/39/69/72/682396972.db2.gz IJASYYKGSDWXPX-RFGFWPKPSA-N 2 0 282.432 1.061 10 0 CDAERP C1C[NH2+][C@H]([C@@H]2COCC[C@@H]2[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000873238670 682417657 /nfs/dbraw/zinc/41/76/57/682417657.db2.gz DTZHAUIPKOTISG-RPOKEFSISA-N 2 0 292.423 1.157 10 0 CDAERP C[N@@H+]1CCC[C@@H](CCNC(=[NH2+])NCCC2CC2)C1 ZINC000864465724 682419061 /nfs/dbraw/zinc/41/90/61/682419061.db2.gz BYJHDVWROBZQAI-ZDUSSCGKSA-N 2 0 252.406 1.632 10 0 CDAERP C[NH+](C)CCOc1ccc(CNC2=[NH+]CCCCN2)cc1 ZINC000849215725 682507061 /nfs/dbraw/zinc/50/70/61/682507061.db2.gz ZVRMJTKWVUTKPY-UHFFFAOYSA-N 2 0 290.411 1.456 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@H]1CC[NH+](C)[C@H]1C ZINC000922510160 682522262 /nfs/dbraw/zinc/52/22/62/682522262.db2.gz KWKPLNBHUKMTPY-IHRRRGAJSA-N 2 0 284.448 1.499 10 0 CDAERP CN(CCC[NH2+]C1CC1)CC[C@@H]1CCCC[N@@H+]1C ZINC000923325542 682530267 /nfs/dbraw/zinc/53/02/67/682530267.db2.gz VOISKIAACLZVDP-HNNXBMFYSA-N 2 0 253.434 1.935 10 0 CDAERP CC(C)Cn1ncnc1CN(C)CCCCCC[NH3+] ZINC000710818289 682534422 /nfs/dbraw/zinc/53/44/22/682534422.db2.gz FZFMRRRVMBWXSW-UHFFFAOYSA-N 2 0 267.421 1.885 10 0 CDAERP CCOC(=O)C1=CC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000863544152 682580666 /nfs/dbraw/zinc/58/06/66/682580666.db2.gz MNEZDOQGTNEEIB-LJISPDSOSA-N 2 0 278.396 1.616 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+]C2CC3(C2)CO[C@@H](C)C3)CC1 ZINC000924656909 682583743 /nfs/dbraw/zinc/58/37/43/682583743.db2.gz DMKIZHJJCMSURD-GTPINHCMSA-N 2 0 295.471 1.561 10 0 CDAERP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923326819 682600154 /nfs/dbraw/zinc/60/01/54/682600154.db2.gz NKGRJTXKBKLFLE-CABCVRRESA-N 3 0 281.444 1.029 10 0 CDAERP CCOC1CC(O)(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925657560 682619893 /nfs/dbraw/zinc/61/98/93/682619893.db2.gz CRKDTNVYOQGGBY-YKQCJFHZSA-N 2 0 270.417 1.412 10 0 CDAERP CCCCOC[C@H](O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000227910594 682625733 /nfs/dbraw/zinc/62/57/33/682625733.db2.gz RTPSMFWLQMEBCN-ZIAGYGMSSA-N 2 0 258.406 1.367 10 0 CDAERP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CO[C@H](C3CC3)C2)CC1 ZINC000825341646 682661025 /nfs/dbraw/zinc/66/10/25/682661025.db2.gz PPLVSNWDLCTGDV-TWMKSMIVSA-N 2 0 294.439 1.521 10 0 CDAERP CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000872144038 682696617 /nfs/dbraw/zinc/69/66/17/682696617.db2.gz AKMSSZHQIVCVBZ-RFBLXINOSA-N 2 0 282.428 1.630 10 0 CDAERP Cn1cncc1CCC[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720859461 682715447 /nfs/dbraw/zinc/71/54/47/682715447.db2.gz NVOOEZNXDAVRDA-PWSUYJOCSA-N 2 0 290.333 1.422 10 0 CDAERP C[C@H]1[C@@H](NC(=O)NCc2ccc3c[nH+]cn3c2)CC[N@@H+]1C ZINC000922834818 682725466 /nfs/dbraw/zinc/72/54/66/682725466.db2.gz QFLVTMBODVNGSF-FZMZJTMJSA-N 2 0 287.367 1.226 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000235698205 682728541 /nfs/dbraw/zinc/72/85/41/682728541.db2.gz PGYKPNDBYIYCFQ-MJBXVCDLSA-N 2 0 267.417 1.365 10 0 CDAERP Cc1csc([C@H]2CC[N@H+](C[C@@H]3CNCCO3)C2)n1 ZINC000872147957 682747834 /nfs/dbraw/zinc/74/78/34/682747834.db2.gz MNRHVRVLJJBGQO-RYUDHWBXSA-N 2 0 267.398 1.229 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N(C)C2CCC([NH3+])CC2)C[NH2+]1 ZINC000861691297 682807034 /nfs/dbraw/zinc/80/70/34/682807034.db2.gz YXOZKFLASTYZAS-IGJPJIBNSA-N 2 0 268.405 1.038 10 0 CDAERP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000923311936 682814559 /nfs/dbraw/zinc/81/45/59/682814559.db2.gz BRTLRTJMGHAJAW-UONOGXRCSA-N 2 0 250.386 1.629 10 0 CDAERP CC(C)(O)[C@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000721801631 682849157 /nfs/dbraw/zinc/84/91/57/682849157.db2.gz YAZSIXXHBAJKNY-AWEZNQCLSA-N 2 0 254.418 1.955 10 0 CDAERP C[N@H+](C[C@@H]1C[C@@H]2COC[C@H]2O1)C1(C[NH3+])CCCCC1 ZINC000724588481 682856048 /nfs/dbraw/zinc/85/60/48/682856048.db2.gz CHIXFWSAZYPEDQ-HZSPNIEDSA-N 2 0 268.401 1.384 10 0 CDAERP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000872294398 682868912 /nfs/dbraw/zinc/86/89/12/682868912.db2.gz YNBJJENPIKYVQH-SSZWKKLZSA-N 2 0 277.412 1.057 10 0 CDAERP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CCO[C@H]3CCOC3)CC2)C1 ZINC000923379450 683043085 /nfs/dbraw/zinc/04/30/85/683043085.db2.gz OYJQEMZCKLKCAA-PMPSAXMXSA-N 2 0 298.427 1.010 10 0 CDAERP CCO[C@@H]1C[N@H+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)C[C@H]1C[NH3+] ZINC000720797585 683096691 /nfs/dbraw/zinc/09/66/91/683096691.db2.gz WMMMTBYQKPNUIL-AIEDFZFUSA-N 2 0 268.401 1.240 10 0 CDAERP CCOC(=O)CCCCC[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000702368002 683113614 /nfs/dbraw/zinc/11/36/14/683113614.db2.gz WZNPJMFLRPBLQV-GOEBONIOSA-N 2 0 282.428 1.993 10 0 CDAERP CCOC(=O)[C@@H]1C[C@H]1C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000931467985 683151015 /nfs/dbraw/zinc/15/10/15/683151015.db2.gz QONBXTNXRIRQAI-LSDHHAIUSA-N 2 0 294.439 1.993 10 0 CDAERP C[C@@H]1C[N@H+](C[C@H](O)CC2CCCC2)CC[C@@H]1C[NH3+] ZINC000923490203 683162450 /nfs/dbraw/zinc/16/24/50/683162450.db2.gz BSILAPFNYILNPA-BPLDGKMQSA-N 2 0 254.418 1.844 10 0 CDAERP C[C@H]([NH2+]CCOC1CCOCC1)C1CC[NH+](C)CC1 ZINC000701398660 683167246 /nfs/dbraw/zinc/16/72/46/683167246.db2.gz LKZYMBBBEFZUJL-ZDUSSCGKSA-N 2 0 270.417 1.502 10 0 CDAERP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870873241 683280050 /nfs/dbraw/zinc/28/00/50/683280050.db2.gz GGUNHUPFMPTUGG-HLUFSKSISA-N 2 0 293.455 1.596 10 0 CDAERP CC[C@@H]1CN(C)CCN1C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000818977305 683289722 /nfs/dbraw/zinc/28/97/22/683289722.db2.gz DHMNIEMOPAEHFN-CJNGLKHVSA-N 2 0 299.434 1.752 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000849027952 683355009 /nfs/dbraw/zinc/35/50/09/683355009.db2.gz SBBJNSJNXUMKRR-STQMWFEESA-N 2 0 268.405 1.154 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C1CCC1)[C@H]1CCCO1 ZINC000866263646 683385319 /nfs/dbraw/zinc/38/53/19/683385319.db2.gz RMPRBVVEIHRCHE-OIISXLGYSA-N 2 0 295.471 1.560 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCc1ccns1 ZINC000925733804 683506359 /nfs/dbraw/zinc/50/63/59/683506359.db2.gz XYJPELCACSNUPS-ZMLRMANQSA-N 2 0 255.387 1.028 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713419679 683522000 /nfs/dbraw/zinc/52/20/00/683522000.db2.gz KBSSMYPQTBFUHT-XFMPKHEZSA-N 2 0 265.401 1.104 10 0 CDAERP C[C@H](c1cnccn1)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923450196 683581923 /nfs/dbraw/zinc/58/19/23/683581923.db2.gz FHNOODSKIABRPL-OLZOCXBDSA-N 2 0 276.384 1.367 10 0 CDAERP C[C@H]1C[C@@H]1NC(=[NH2+])NCc1ccc(OCC[NH+](C)C)cc1 ZINC000864451124 683584024 /nfs/dbraw/zinc/58/40/24/683584024.db2.gz ADNOCNQEKCATIY-WFASDCNBSA-N 2 0 290.411 1.649 10 0 CDAERP [NH3+][C@H]1C[C@H]([NH2+]CCOC2CCOCC2)C12CCC2 ZINC000925878588 683586404 /nfs/dbraw/zinc/58/64/04/683586404.db2.gz XIUYZKVXEZOTGM-STQMWFEESA-N 2 0 254.374 1.042 10 0 CDAERP CCCCOC[C@H](O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000715064000 683623923 /nfs/dbraw/zinc/62/39/23/683623923.db2.gz UPOSWVFSWVBPKK-RRFJBIMHSA-N 2 0 270.417 1.238 10 0 CDAERP CN(C)[C@H](CC[NH2+][C@H]1CCC[C@H]1C[NH3+])C(F)(F)F ZINC000925838669 683633384 /nfs/dbraw/zinc/63/33/84/683633384.db2.gz ZZMGGBUKZCRNAI-GARJFASQSA-N 2 0 267.339 1.586 10 0 CDAERP CC(C)[NH+]1CCN(CCC[NH2+][C@]23CCC[C@H]2OCC3)CC1 ZINC000872314651 683642306 /nfs/dbraw/zinc/64/23/06/683642306.db2.gz APUJESQXNRCQJT-SJORKVTESA-N 2 0 295.471 1.704 10 0 CDAERP C[C@@H]1C[N@H+](CCCN[C@@H]2C[C@H]([NH3+])C23CCC3)CCCO1 ZINC000925651502 683647018 /nfs/dbraw/zinc/64/70/18/683647018.db2.gz DQKSYPIYYGZKIO-QLFBSQMISA-N 2 0 281.444 1.347 10 0 CDAERP CC1(C)[C@H]([NH2+]CCCO[C@@H]2CCOC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925553527 683649780 /nfs/dbraw/zinc/64/97/80/683649780.db2.gz TXHIEIOORPTHQT-APIJFGDWSA-N 2 0 282.428 1.548 10 0 CDAERP C[NH+](C)CC1(O)CC[NH+](C[C@H]2CCC(C)(C)CO2)CC1 ZINC000713571121 683676275 /nfs/dbraw/zinc/67/62/75/683676275.db2.gz PZKNJGKFXIPHDS-CQSZACIVSA-N 2 0 284.444 1.580 10 0 CDAERP O=C1NCCC2(CC[NH+](CCCC3CC[NH2+]CC3)CC2)O1 ZINC000923528756 683702896 /nfs/dbraw/zinc/70/28/96/683702896.db2.gz XVXSDHSDWSBVPJ-UHFFFAOYSA-N 2 0 295.427 1.731 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](O)CCc2ccccc2)C12CCC2 ZINC000925647547 683742781 /nfs/dbraw/zinc/74/27/81/683742781.db2.gz DFEVMZMMNPIIHN-ARFHVFGLSA-N 2 0 274.408 1.840 10 0 CDAERP C[NH+]1CCC(N2CCc3sc(C[NH3+])nc3C2)CC1 ZINC000709696467 683765256 /nfs/dbraw/zinc/76/52/56/683765256.db2.gz MTEANMZTZHFWTP-UHFFFAOYSA-N 2 0 266.414 1.054 10 0 CDAERP C[C@@H]1[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@@H+]1C ZINC000928424841 683767959 /nfs/dbraw/zinc/76/79/59/683767959.db2.gz FRCAUWNMRXEKNR-CHWSQXEVSA-N 2 0 267.417 1.460 10 0 CDAERP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925609293 683777369 /nfs/dbraw/zinc/77/73/69/683777369.db2.gz RZTHRJYOWTWVPY-CABCVRRESA-N 2 0 281.444 1.098 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]CCCOCC(F)(F)F)C12CCC2 ZINC000925536568 683799870 /nfs/dbraw/zinc/79/98/70/683799870.db2.gz GGMCVNGXWRBVBL-NXEZZACHSA-N 2 0 266.307 1.815 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2CC3(C2)OCCO3)[C@H]2CCC[C@@H]21 ZINC000927001965 683818734 /nfs/dbraw/zinc/81/87/34/683818734.db2.gz RBBDLGUFICXXRW-ILXRZTDVSA-N 2 0 280.412 1.602 10 0 CDAERP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866708317 683830339 /nfs/dbraw/zinc/83/03/39/683830339.db2.gz ZJNPEWISWKRWPE-XJKSGUPXSA-N 2 0 283.460 1.939 10 0 CDAERP [NH3+]Cc1cccc(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000831682618 683832564 /nfs/dbraw/zinc/83/25/64/683832564.db2.gz CXDFVIQOFIYPCG-MRXNPFEDSA-N 2 0 273.380 1.361 10 0 CDAERP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000924994878 683858423 /nfs/dbraw/zinc/85/84/23/683858423.db2.gz WWPLABDJQSSEKT-FXQLRMTLSA-N 2 0 281.444 1.170 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H](NCCC[NH+]2CCC(O)CC2)C1 ZINC000925500040 683863056 /nfs/dbraw/zinc/86/30/56/683863056.db2.gz CEWWVGDMFFCLIF-ZIAGYGMSSA-N 2 0 283.460 1.329 10 0 CDAERP CC[NH+](CC)CCOCCN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925648071 683865799 /nfs/dbraw/zinc/86/57/99/683865799.db2.gz NMOVUYRSUIZVLP-OAHLLOKOSA-N 2 0 283.460 1.609 10 0 CDAERP C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)C1 ZINC000923509319 683888223 /nfs/dbraw/zinc/88/82/23/683888223.db2.gz PNNWFDCOHJQJTG-XGUBFFRZSA-N 2 0 281.444 1.408 10 0 CDAERP CC1(C)[C@@H]([NH2+]CCCCS(C)(=O)=O)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925703348 683921099 /nfs/dbraw/zinc/92/10/99/683921099.db2.gz DIPFZXVEUWSYSC-AVGNSLFASA-N 2 0 288.457 1.177 10 0 CDAERP CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866704306 683975817 /nfs/dbraw/zinc/97/58/17/683975817.db2.gz NGCDKZKSCIFFIC-ZENOOKHLSA-N 2 0 283.460 1.987 10 0 CDAERP CC[N@H+](C)C[C@H]1CC[NH+](CC2(O)CCCCC2)C1 ZINC000304756181 683976174 /nfs/dbraw/zinc/97/61/74/683976174.db2.gz ZQGWKURRHABIHO-CQSZACIVSA-N 2 0 254.418 1.955 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000713044627 684012926 /nfs/dbraw/zinc/01/29/26/684012926.db2.gz REAOGZBSEISKGD-NEPJUHHUSA-N 2 0 255.406 1.064 10 0 CDAERP C[N@H+](CCOc1ccccc1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923299504 684026709 /nfs/dbraw/zinc/02/67/09/684026709.db2.gz SUFJVGFATPSGPI-OAHLLOKOSA-N 2 0 276.380 1.376 10 0 CDAERP CC[NH+](CC)CCOCCN[C@H]1CC[NH2+]C12CCC2 ZINC000925647794 684047154 /nfs/dbraw/zinc/04/71/54/684047154.db2.gz HJXYGTPLOFWKAV-AWEZNQCLSA-N 2 0 269.433 1.219 10 0 CDAERP CC1(C)C[C@H](C[NH+]2CCC(O)(C[NH3+])CC2)C(C)(C)O1 ZINC000709754235 684052524 /nfs/dbraw/zinc/05/25/24/684052524.db2.gz HEFDTXGPYCGSPT-GFCCVEGCSA-N 2 0 270.417 1.366 10 0 CDAERP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@@H](CO)Cc1ccccc1)[NH2+]2 ZINC000709414788 684073250 /nfs/dbraw/zinc/07/32/50/684073250.db2.gz BMIAEHYPVGBJOJ-GWZLXJJCSA-N 2 0 274.408 1.709 10 0 CDAERP CC1(C)C[NH2+]CC[C@H](NC(=O)/C=C\[C@H]2CCC[NH2+]C2)C1 ZINC000872277685 684078525 /nfs/dbraw/zinc/07/85/25/684078525.db2.gz URLPUGPLFWMCJL-QJTIAFMVSA-N 2 0 279.428 1.437 10 0 CDAERP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2ccc(F)cn2)C1 ZINC000818980819 684083657 /nfs/dbraw/zinc/08/36/57/684083657.db2.gz OJUFJYNWNHZTJO-WFASDCNBSA-N 2 0 281.375 1.576 10 0 CDAERP Cc1nc(C)c(C[NH2+][C@H](C(N)=O)[C@@H](C)c2ccccc2)[nH]1 ZINC000930541434 684085860 /nfs/dbraw/zinc/08/58/60/684085860.db2.gz MREVKMBVFNGWSF-BONVTDFDSA-N 2 0 286.379 1.774 10 0 CDAERP Nc1cc[nH+]c2c1CN(C[C@H](O)CCC1(O)CCC1)CC2 ZINC000931517161 684130886 /nfs/dbraw/zinc/13/08/86/684130886.db2.gz UDMFLLQQMOIBSW-GFCCVEGCSA-N 2 0 291.395 1.078 10 0 CDAERP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2CCC[NH2+]C2CC2)C[C@H](C)O1 ZINC000923322978 684143050 /nfs/dbraw/zinc/14/30/50/684143050.db2.gz UDNBBXNCHDTWRC-UXLLHSPISA-N 2 0 295.471 1.702 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000852882599 684148357 /nfs/dbraw/zinc/14/83/57/684148357.db2.gz MSLBPSHZGIHOES-UHFFFAOYSA-N 2 0 291.439 1.773 10 0 CDAERP O=C(N1CCC2(C1)CC[NH2+]CC2)C1([NH2+]C2CC2)CCC1 ZINC000852874741 684150528 /nfs/dbraw/zinc/15/05/28/684150528.db2.gz OAPBEQXCTBMKIE-UHFFFAOYSA-N 2 0 277.412 1.263 10 0 CDAERP CC1(C)CC[C@H](C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)OC1 ZINC000713596814 684204826 /nfs/dbraw/zinc/20/48/26/684204826.db2.gz OYFGFFIKNHMQIW-MJBXVCDLSA-N 2 0 252.402 1.875 10 0 CDAERP C[NH+](C)C1CC([NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)C1 ZINC000723651441 684221075 /nfs/dbraw/zinc/22/10/75/684221075.db2.gz NNFWVZFPDUBMLI-JIPNABBHSA-N 2 0 252.402 1.874 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]CCC[C@H]2CCOC2=O)[C@H](C)C1 ZINC000872114330 684250066 /nfs/dbraw/zinc/25/00/66/684250066.db2.gz XLJQMFBMEIMWDG-RDBSUJKOSA-N 2 0 268.401 1.650 10 0 CDAERP CN(C)C1(C[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)CC1 ZINC000926599575 684260885 /nfs/dbraw/zinc/26/08/85/684260885.db2.gz GBSVDBFFXGGYPP-KGLIPLIRSA-N 2 0 252.402 1.875 10 0 CDAERP CCN(C(=O)NCC[NH+](CC)C(C)C)[C@H]1CC[N@H+](C)C1 ZINC000853641467 684261130 /nfs/dbraw/zinc/26/11/30/684261130.db2.gz NDJXFARZWMJJBY-AWEZNQCLSA-N 2 0 284.448 1.452 10 0 CDAERP C[C@@H]([NH2+]CCOCC[NH3+])c1ccc(C(F)(F)F)nc1 ZINC000872155469 684275495 /nfs/dbraw/zinc/27/54/95/684275495.db2.gz SYAXEZJFIUQEAG-SECBINFHSA-N 2 0 277.290 1.726 10 0 CDAERP Cc1cccnc1NC(=O)CN1CCC([C@H](C)[NH3+])CC1 ZINC000866659379 684277503 /nfs/dbraw/zinc/27/75/03/684277503.db2.gz LILDTIHDVOPNGR-LBPRGKRZSA-N 2 0 276.384 1.388 10 0 CDAERP CC(C)[NH+]1CCC([N@H+](C)C[C@H]2CCC3(COC3)O2)CC1 ZINC000929469983 684282735 /nfs/dbraw/zinc/28/27/35/684282735.db2.gz JDTKXOGJQFMJKV-OAHLLOKOSA-N 2 0 282.428 1.739 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)N[C@@H]2CCCC[C@@H]2C)C[C@H]1CC[NH3+] ZINC000723886612 684301191 /nfs/dbraw/zinc/30/11/91/684301191.db2.gz MLWCIWHXWWDBQW-GBJTYRQASA-N 2 0 281.444 1.598 10 0 CDAERP C([C@@H]1C[C@H]2COC[C@@H]2O1)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001772537130 1158797852 /nfs/dbraw/zinc/79/78/52/1158797852.db2.gz UNZXFQJKVSJCJB-KKUMJFAQSA-N 2 0 280.412 1.256 10 0 CDAERP c1nnc([C@@H]2CCC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)n1C1CC1 ZINC001772532098 1158737089 /nfs/dbraw/zinc/73/70/89/1158737089.db2.gz SHNBQKYZIPKUAH-ZIAGYGMSSA-N 2 0 289.427 1.792 10 0 CDAERP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCCCCF)C2)CC[N@@H+]1C ZINC001266685892 1158761063 /nfs/dbraw/zinc/76/10/63/1158761063.db2.gz OEAXQDHDUKJKLO-APIJFGDWSA-N 2 0 299.434 1.703 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001267048267 1159099267 /nfs/dbraw/zinc/09/92/67/1159099267.db2.gz VINXCOLQVMZXKM-JKSUJKDBSA-N 2 0 293.455 1.875 10 0 CDAERP CC[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+][C@H](C)COC ZINC001481838743 1159948862 /nfs/dbraw/zinc/94/88/62/1159948862.db2.gz GRVLMZKBSRXVNJ-KGLIPLIRSA-N 2 0 299.459 1.380 10 0 CDAERP Cn1ncc2cc(C[NH2+][C@H]3CCn4ccnc4C3)cnc21 ZINC000865532680 1164659594 /nfs/dbraw/zinc/65/95/94/1164659594.db2.gz KJBFZQCLLYLPQI-ZDUSSCGKSA-N 2 0 282.351 1.269 10 0 CDAERP C[NH+](C)C1(C(=O)NC[C@H]2CCC[N@@H+]2C)CCCC1 ZINC001629610646 1166151029 /nfs/dbraw/zinc/15/10/29/1166151029.db2.gz PRTNYPDUGCVALL-GFCCVEGCSA-N 2 0 253.390 1.071 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)NCC[C@@H](C)[NH+](C)C)C1 ZINC001632580810 1166360057 /nfs/dbraw/zinc/36/00/57/1166360057.db2.gz IMCFAZUQUZGTEO-KGLIPLIRSA-N 2 0 269.433 1.563 10 0 CDAERP [NH3+][C@@H]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC001645852542 1167537888 /nfs/dbraw/zinc/53/78/88/1167537888.db2.gz WZIAENTXCDWLEY-QWHCGFSZSA-N 2 0 291.370 1.927 10 0 CDAERP CCN(C(=O)c1ccn(-c2cc[nH+]cc2)n1)[C@H]1CC[N@H+](C)C1 ZINC001645996538 1167602352 /nfs/dbraw/zinc/60/23/52/1167602352.db2.gz RBCUUYQDBMPPQK-AWEZNQCLSA-N 2 0 299.378 1.434 10 0 CDAERP CC[N@H+](CCCNC(=O)CCc1c[nH]cn1)C(C)C ZINC001566552232 1168332409 /nfs/dbraw/zinc/33/24/09/1168332409.db2.gz AXTRLSZWZQHSBA-UHFFFAOYSA-N 2 0 266.389 1.579 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[C@H]2C[NH+](C)C[C@H]21 ZINC001647009639 1168346332 /nfs/dbraw/zinc/34/63/32/1168346332.db2.gz KOUJOWRWHPSYBA-GBJTYRQASA-N 2 0 279.428 1.317 10 0 CDAERP CC(C)C[NH2+][C@@H](CNC(=O)CC[NH+](C)C)C1CC1 ZINC001566721347 1168400495 /nfs/dbraw/zinc/40/04/95/1168400495.db2.gz ZLRSSIIFHDSSJR-ZDUSSCGKSA-N 2 0 255.406 1.079 10 0 CDAERP CC(C)CC[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001567497141 1168814374 /nfs/dbraw/zinc/81/43/74/1168814374.db2.gz LZOBGMAVAKRPTR-ZIAGYGMSSA-N 2 0 269.433 1.421 10 0 CDAERP C[C@@H](F)CC[NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001567541941 1168841024 /nfs/dbraw/zinc/84/10/24/1168841024.db2.gz JIDUULMBVOBXHW-CYBMUJFWSA-N 2 0 287.423 1.657 10 0 CDAERP CC/C=C\CC[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001567847602 1169013510 /nfs/dbraw/zinc/01/35/10/1169013510.db2.gz OQHUMYQORMPKSR-FOSCPCJNSA-N 2 0 279.428 1.342 10 0 CDAERP CCC[NH2+][C@H](C)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001570636491 1170219066 /nfs/dbraw/zinc/21/90/66/1170219066.db2.gz JOCQAPRXRQFWFA-OLZOCXBDSA-N 2 0 269.433 1.611 10 0 CDAERP CC[NH2+][C@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001571419900 1170420433 /nfs/dbraw/zinc/42/04/33/1170420433.db2.gz ZSIPTNGCVHEMBY-ZIAGYGMSSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001656994863 1171912976 /nfs/dbraw/zinc/91/29/76/1171912976.db2.gz UCNAIUNTTNDRNI-KGLIPLIRSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CC1CC1 ZINC001660203650 1172176237 /nfs/dbraw/zinc/17/62/37/1172176237.db2.gz RKYRSFMNABZOKQ-INIZCTEOSA-N 2 0 295.471 1.955 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]CCCF)C1CC1 ZINC001661143676 1172342720 /nfs/dbraw/zinc/34/27/20/1172342720.db2.gz ZLDBWJVAHXSWAF-KGLIPLIRSA-N 2 0 285.407 1.315 10 0 CDAERP C[C@](C[NH2+]CCCF)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001666038272 1173104194 /nfs/dbraw/zinc/10/41/94/1173104194.db2.gz UZAXNZLXRVJOFC-OAHLLOKOSA-N 2 0 285.407 1.316 10 0 CDAERP O=C(NC/C=C/C[NH2+]CCF)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001668883132 1173476531 /nfs/dbraw/zinc/47/65/31/1173476531.db2.gz NQDVNHHMVGPCOI-SZZVUECUSA-N 2 0 283.391 1.235 10 0 CDAERP CC(C)C[NH2+]C/C=C/CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001669149520 1173511027 /nfs/dbraw/zinc/51/10/27/1173511027.db2.gz BHQHEYRUWZVITN-NPQIQWPPSA-N 2 0 269.433 1.491 10 0 CDAERP CC[N@H+](C)C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001669833215 1173616567 /nfs/dbraw/zinc/61/65/67/1173616567.db2.gz PYUREVKOILMPPX-ZDUSSCGKSA-N 2 0 267.417 1.319 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CCF)C1 ZINC001671752258 1173709808 /nfs/dbraw/zinc/70/98/08/1173709808.db2.gz GSOYIXDCSLPLNB-DZGCQCFKSA-N 2 0 285.407 1.268 10 0 CDAERP CC[NH2+]CC[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001672854792 1173806115 /nfs/dbraw/zinc/80/61/15/1173806115.db2.gz YRDFJUUJWIJDLX-CYBMUJFWSA-N 2 0 255.406 1.176 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)NC[C@H]2CC[NH+](C)C2)C1 ZINC001597024271 1174255009 /nfs/dbraw/zinc/25/50/09/1174255009.db2.gz FGEBAADIIRXKIK-KGLIPLIRSA-N 2 0 267.417 1.175 10 0 CDAERP C[C@@H]1[C@@H]([NH2+]CCCCCF)CCN1C(=O)CC[NH+](C)C ZINC001676668788 1174254864 /nfs/dbraw/zinc/25/48/64/1174254864.db2.gz PIIZBCHUQCJKFF-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)CCC[NH2+]C1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001677423437 1174358619 /nfs/dbraw/zinc/35/86/19/1174358619.db2.gz HSPUIUXZUYATDX-UHFFFAOYSA-N 2 0 283.460 1.953 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C(C)C)C1CC1 ZINC001689987168 1175332463 /nfs/dbraw/zinc/33/24/63/1175332463.db2.gz JJDAKHQQLGMQPB-OAHLLOKOSA-N 2 0 281.444 1.850 10 0 CDAERP CCCCCC[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001690298900 1175430697 /nfs/dbraw/zinc/43/06/97/1175430697.db2.gz XCXNJTIRLVBWFP-SHTZXODSSA-N 2 0 281.444 1.899 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]C/C=C\Cl)C1 ZINC001690418302 1175466170 /nfs/dbraw/zinc/46/61/70/1175466170.db2.gz OGZZFZZHOHTBIZ-WREBYIDWSA-N 2 0 299.846 1.661 10 0 CDAERP CCCCC[NH+]1CC(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001692352396 1175749046 /nfs/dbraw/zinc/74/90/46/1175749046.db2.gz XNCCTYTVWIXKSH-UHFFFAOYSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)[NH2+]C[C@@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001698749831 1175917607 /nfs/dbraw/zinc/91/76/07/1175917607.db2.gz ARYUPPCOFKPPEF-ZIAGYGMSSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]CCC(C)(C)C ZINC001698771744 1175926896 /nfs/dbraw/zinc/92/68/96/1175926896.db2.gz FSNMJYHOFIMZAX-ZIAGYGMSSA-N 2 0 283.460 1.716 10 0 CDAERP COCCC[NH2+]C[C@@H](C)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001698832321 1175954064 /nfs/dbraw/zinc/95/40/64/1175954064.db2.gz ONEQBEWUNQHVSG-CQSZACIVSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@@H](CC[NH2+]CC1CCC1)NC(=O)C[NH+]1CCCC1 ZINC001699164585 1176119641 /nfs/dbraw/zinc/11/96/41/1176119641.db2.gz MHNANJOQICKXKU-ZDUSSCGKSA-N 2 0 267.417 1.367 10 0 CDAERP CC(C)[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001699302844 1176209063 /nfs/dbraw/zinc/20/90/63/1176209063.db2.gz PKOPQVFBVBQDQL-LAWSMPECSA-N 2 0 267.417 1.387 10 0 CDAERP CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001699633332 1176530739 /nfs/dbraw/zinc/53/07/39/1176530739.db2.gz JTPIUAMVHKPRIF-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP CCOCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001699742952 1176600761 /nfs/dbraw/zinc/60/07/61/1176600761.db2.gz KGSRNGNSBLAYCJ-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)(C(=O)N1CCC[C@H]1C[NH2+]CCCF)[NH+]1CCCC1 ZINC001699756145 1176609239 /nfs/dbraw/zinc/60/92/39/1176609239.db2.gz HOYKZDSCURUTSI-AWEZNQCLSA-N 2 0 299.434 1.801 10 0 CDAERP CCCC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001699966231 1176700743 /nfs/dbraw/zinc/70/07/43/1176700743.db2.gz AWWBCGXYGGCBOJ-KBPBESRZSA-N 2 0 269.433 1.422 10 0 CDAERP CC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001700346424 1176861577 /nfs/dbraw/zinc/86/15/77/1176861577.db2.gz ULDNNNWYVWGIOT-ZDUSSCGKSA-N 2 0 255.406 1.317 10 0 CDAERP CCOCC[N@H+](C)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001700467126 1176957216 /nfs/dbraw/zinc/95/72/16/1176957216.db2.gz MNYUBIDCCCTLQE-CQSZACIVSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001700644703 1177053556 /nfs/dbraw/zinc/05/35/56/1177053556.db2.gz ZYYGKZNAYKDMPA-BZUAXINKSA-N 2 0 293.455 1.779 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C ZINC001700885081 1177177649 /nfs/dbraw/zinc/17/76/49/1177177649.db2.gz LQURKWSEWPHTKS-ZIAGYGMSSA-N 2 0 269.433 1.706 10 0 CDAERP CC[N@H+](C)CCOCCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001707232764 1177975757 /nfs/dbraw/zinc/97/57/57/1177975757.db2.gz XCGVQUVDSIXHND-GJZGRUSLSA-N 2 0 299.459 1.143 10 0 CDAERP C[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)CCC(C)(C)C ZINC001712983143 1178284414 /nfs/dbraw/zinc/28/44/14/1178284414.db2.gz XNDAVSIIDIQCLW-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP COCC[NH2+][C@H]1CCC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001713375375 1178528103 /nfs/dbraw/zinc/52/81/03/1178528103.db2.gz PMOYUVGDPLHNSH-KBPBESRZSA-N 2 0 297.443 1.134 10 0 CDAERP CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](CC=C(C)C)C1)[NH+](C)C ZINC001713542746 1178634373 /nfs/dbraw/zinc/63/43/73/1178634373.db2.gz XSJDRJVISPKMIL-GJZGRUSLSA-N 2 0 281.444 1.731 10 0 CDAERP CC/C=C\CC[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001713964804 1178896824 /nfs/dbraw/zinc/89/68/24/1178896824.db2.gz MDJYZOJQGTYOFC-LDUWWUQZSA-N 2 0 293.455 1.921 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCCC(C)C)C1)[NH+](C)C ZINC001714007211 1178924264 /nfs/dbraw/zinc/92/42/64/1178924264.db2.gz HWBUMIDHYJKYQU-ZNMIVQPWSA-N 2 0 283.460 2.000 10 0 CDAERP CC[NH2+]CC1(NC(=O)C[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001714148300 1178990991 /nfs/dbraw/zinc/99/09/91/1178990991.db2.gz JOSZGTROHCNBGM-CYBMUJFWSA-N 2 0 267.417 1.367 10 0 CDAERP O=C(C[NH+]1CCCC1)NC1(C[NH2+]C/C=C/Cl)CCCC1 ZINC001714151691 1178993401 /nfs/dbraw/zinc/99/34/01/1178993401.db2.gz SAAPKZBVTUHMED-VMPITWQZSA-N 2 0 299.846 1.853 10 0 CDAERP CC(C)[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001714487875 1179166511 /nfs/dbraw/zinc/16/65/11/1179166511.db2.gz XSISUQAFYIQASA-RDBSUJKOSA-N 2 0 269.433 1.610 10 0 CDAERP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001715027226 1179516757 /nfs/dbraw/zinc/51/67/57/1179516757.db2.gz WCHZBMUVHSZORK-AWEZNQCLSA-N 2 0 267.417 1.271 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@@H](CC[NH2+]CCOC)C1)[NH+](C)C ZINC001715148094 1179564559 /nfs/dbraw/zinc/56/45/59/1179564559.db2.gz VVHYJJSKXHDZKF-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001715271341 1179603738 /nfs/dbraw/zinc/60/37/38/1179603738.db2.gz VVPWXKMNZMEIQL-ZIAGYGMSSA-N 2 0 269.433 1.326 10 0 CDAERP CCOCCC[NH2+]C[C@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001715354272 1179639290 /nfs/dbraw/zinc/63/92/90/1179639290.db2.gz MCYKOAOJRVAKAD-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)[C@H]1C[NH2+]CCF ZINC001715476417 1179676924 /nfs/dbraw/zinc/67/69/24/1179676924.db2.gz PZBJAGJHNPKUPU-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP CCCC[NH2+][C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001715496294 1179682707 /nfs/dbraw/zinc/68/27/07/1179682707.db2.gz RSRUJJYHVQPQTP-HOTGVXAUSA-N 2 0 295.471 1.859 10 0 CDAERP CCN(CC[NH2+]CC1CC(C)C1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001715743808 1179787272 /nfs/dbraw/zinc/78/72/72/1179787272.db2.gz PQROSOCUWVXDMR-UYSNPLJNSA-N 2 0 295.471 1.955 10 0 CDAERP CCN(CC[NH2+]CC1CC1)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001715763044 1179795459 /nfs/dbraw/zinc/79/54/59/1179795459.db2.gz JLWQIZFDNMXURQ-JKSUJKDBSA-N 2 0 293.455 1.851 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC1CC1 ZINC001715932322 1179925532 /nfs/dbraw/zinc/92/55/32/1179925532.db2.gz KVEBJEDOLDGCAG-OCCSQVGLSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001715935138 1179927397 /nfs/dbraw/zinc/92/73/97/1179927397.db2.gz RHJRTGFDSDXWDI-HUUCEWRRSA-N 2 0 281.444 1.921 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccccc1)NC(=O)CC[NH+](C)C ZINC001715992146 1179969264 /nfs/dbraw/zinc/96/92/64/1179969264.db2.gz BNEUZWZHGOOSSJ-ZDUSSCGKSA-N 2 0 263.385 1.233 10 0 CDAERP CC[C@H](C)C[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001716375271 1180172543 /nfs/dbraw/zinc/17/25/43/1180172543.db2.gz DYYNQYYIWDQZSS-MEWZEZIVSA-N 2 0 267.417 1.246 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N[C@@]2(C)CC[NH+](CCCCCF)C2)C1 ZINC001716852950 1180440879 /nfs/dbraw/zinc/44/08/79/1180440879.db2.gz QNSOJWPHSYVDAC-ZBFHGGJFSA-N 2 0 299.434 1.659 10 0 CDAERP CC[NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCCCC1 ZINC001717528107 1180720971 /nfs/dbraw/zinc/72/09/71/1180720971.db2.gz MISNACQSUHTHNO-UHFFFAOYSA-N 2 0 267.417 1.511 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCCF)C[C@@H]1C ZINC001717827169 1180882118 /nfs/dbraw/zinc/88/21/18/1180882118.db2.gz GUNLNQFEOFFCEH-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CCCC[NH2+]C[C@H]1CC[C@@H](NC(=O)Cn2cncc2C)C1 ZINC001717876274 1180908141 /nfs/dbraw/zinc/90/81/41/1180908141.db2.gz AXYUQUIAQCCLRN-LSDHHAIUSA-N 2 0 292.427 1.866 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@@H](C[NH2+]CCF)C(C)(C)C ZINC001717966115 1180950832 /nfs/dbraw/zinc/95/08/32/1180950832.db2.gz CILZNWFMASNPGN-LBPRGKRZSA-N 2 0 275.412 1.418 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NCC2=CC[NH+](CC3CC3)CC2)C1 ZINC001718028178 1180974381 /nfs/dbraw/zinc/97/43/81/1180974381.db2.gz IGSNVNDCZUTSTP-AWEZNQCLSA-N 2 0 291.439 1.487 10 0 CDAERP C[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)CC2CCCC2)C1 ZINC000300072924 1181486681 /nfs/dbraw/zinc/48/66/81/1181486681.db2.gz XRURHVBOKPGBQD-LSDHHAIUSA-N 2 0 254.418 1.859 10 0 CDAERP CC1CC[NH+](CC(=O)N[C@H](C[NH2+]CCF)C2CC2)CC1 ZINC001723341420 1181540825 /nfs/dbraw/zinc/54/08/25/1181540825.db2.gz OMOBDACGXMDYMN-CQSZACIVSA-N 2 0 285.407 1.172 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001723443780 1181560599 /nfs/dbraw/zinc/56/05/99/1181560599.db2.gz UYAGKFDWVOJUID-CYBMUJFWSA-N 2 0 267.417 1.460 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]C/C=C\Cl)C1 ZINC001725063306 1181841784 /nfs/dbraw/zinc/84/17/84/1181841784.db2.gz PWXZBLRKIUJRAZ-AVDIMXHDSA-N 2 0 285.819 1.318 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001725099108 1181860821 /nfs/dbraw/zinc/86/08/21/1181860821.db2.gz KAQBQOOCYSRPIO-KGLIPLIRSA-N 2 0 267.417 1.413 10 0 CDAERP CC[C@@H](C(=O)N(C)C1CCC([NH2+]CCOC)CC1)[NH+](C)C ZINC001725137034 1181879968 /nfs/dbraw/zinc/87/99/68/1181879968.db2.gz MDUNXOWEPCXEAL-NRXISQOPSA-N 2 0 299.459 1.332 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CC1=CCCCC1 ZINC001725179546 1181909870 /nfs/dbraw/zinc/90/98/70/1181909870.db2.gz SJDOETDKVSLNNI-AWEZNQCLSA-N 2 0 281.444 1.875 10 0 CDAERP Cc1cccc(C[N@@H+](C)CCCNC(=O)CC[NH+](C)C)c1 ZINC001731261705 1182280449 /nfs/dbraw/zinc/28/04/49/1182280449.db2.gz DDUMDQYLYFGPIZ-UHFFFAOYSA-N 2 0 291.439 1.885 10 0 CDAERP CCC[N@H+](CC)CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001731307195 1182306911 /nfs/dbraw/zinc/30/69/11/1182306911.db2.gz XQEMQDYQRXLVPZ-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)CC[NH2+]CCN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001731919456 1182678208 /nfs/dbraw/zinc/67/82/08/1182678208.db2.gz YIUQCTUAERJLJD-UHFFFAOYSA-N 2 0 269.433 1.565 10 0 CDAERP CC[C@H](C(=O)N(C)[C@H]1CC[N@H+](CC)C1)[NH+](CC)CC ZINC001732172127 1182829340 /nfs/dbraw/zinc/82/93/40/1182829340.db2.gz IAABEUVCSDNDPE-UONOGXRCSA-N 2 0 269.433 1.659 10 0 CDAERP CC[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC=C(C)C ZINC001732210021 1182859330 /nfs/dbraw/zinc/85/93/30/1182859330.db2.gz DUWYHYPFDAMJNM-CABCVRRESA-N 2 0 281.444 1.779 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC1CCC1 ZINC001732832992 1183149274 /nfs/dbraw/zinc/14/92/74/1183149274.db2.gz BFBZYXUYMGJWDI-HSWBROFVSA-N 2 0 265.401 1.143 10 0 CDAERP CC[NH2+]C/C=C\CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001732943268 1183192567 /nfs/dbraw/zinc/19/25/67/1183192567.db2.gz NYPZYQVCNPXCRX-XHPSBEMXSA-N 2 0 281.444 1.779 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001733024243 1183243951 /nfs/dbraw/zinc/24/39/51/1183243951.db2.gz LTWSFGIHQARUKZ-CABCVRRESA-N 2 0 297.443 1.015 10 0 CDAERP CC[N@H+](C)C[C@@H](C)NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001733045802 1183262185 /nfs/dbraw/zinc/26/21/85/1183262185.db2.gz RVIQFOWITXITIW-OLZOCXBDSA-N 2 0 255.406 1.317 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001733212301 1183341174 /nfs/dbraw/zinc/34/11/74/1183341174.db2.gz WEVBQQGWRDKGMM-WRANKLGHSA-N 2 0 293.455 1.873 10 0 CDAERP CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001733649122 1183489692 /nfs/dbraw/zinc/48/96/92/1183489692.db2.gz RIQKXWLJMNNLAF-ZBFHGGJFSA-N 2 0 293.455 1.566 10 0 CDAERP COCC[NH2+]CC(C)(C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001734020672 1183616592 /nfs/dbraw/zinc/61/65/92/1183616592.db2.gz QTZXJUVTWQKTSG-UHFFFAOYSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)=CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001734045019 1183632152 /nfs/dbraw/zinc/63/21/52/1183632152.db2.gz JBOPTLLSACLSLE-HUUCEWRRSA-N 2 0 281.444 1.873 10 0 CDAERP CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001734170543 1183681453 /nfs/dbraw/zinc/68/14/53/1183681453.db2.gz BVKVHBYMNBOLJD-ZSOGYDGISA-N 2 0 267.417 1.032 10 0 CDAERP CC(C)[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]1C ZINC001734410337 1183767671 /nfs/dbraw/zinc/76/76/71/1183767671.db2.gz UQJFFGJPVVXVGQ-OLZOCXBDSA-N 2 0 255.406 1.314 10 0 CDAERP CC(C)[NH2+][C@@H]1C[C@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001734431359 1183777287 /nfs/dbraw/zinc/77/72/87/1183777287.db2.gz YYHXZKPCTDNCFL-UONOGXRCSA-N 2 0 269.433 1.706 10 0 CDAERP CC[N@@H+]1CC[C@@]2(NC(=O)CCCC[NH+](C)C)CCC[C@H]12 ZINC001734442991 1183780398 /nfs/dbraw/zinc/78/03/98/1183780398.db2.gz RXPVOFKQQXOSFU-HOCLYGCPSA-N 2 0 281.444 1.851 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001734479291 1183793962 /nfs/dbraw/zinc/79/39/62/1183793962.db2.gz MFEZQPBUFBDYCD-DZGCQCFKSA-N 2 0 281.444 1.613 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000300406768 1186371133 /nfs/dbraw/zinc/37/11/33/1186371133.db2.gz CGEAMBZCPDRVFH-CHWSQXEVSA-N 2 0 255.406 1.352 10 0 CDAERP CCS(=O)(=O)CCN1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866706605 1164811803 /nfs/dbraw/zinc/81/18/03/1164811803.db2.gz PNQVXNRKLPBNAH-CYBMUJFWSA-N 2 0 276.446 1.118 10 0 CDAERP C[C@@H](NC(=O)C12CCC[NH+]1CCC2)C1=CC[N@H+](C)CC1 ZINC001624971102 1165877829 /nfs/dbraw/zinc/87/78/29/1165877829.db2.gz YXCILTNGGWDDDI-CYBMUJFWSA-N 2 0 277.412 1.381 10 0 CDAERP C[N@@H+]1C[C@H](NC(=O)CCCn2ccnc2)C(C)(C)C1 ZINC001635643678 1166606328 /nfs/dbraw/zinc/60/63/28/1166606328.db2.gz DPLNJQKLBBUBCV-LBPRGKRZSA-N 2 0 264.373 1.120 10 0 CDAERP C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)CC1CC(C)(C)C1 ZINC001566439909 1167961549 /nfs/dbraw/zinc/96/15/49/1167961549.db2.gz UUVSULRCPIBEST-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC001566877360 1168039464 /nfs/dbraw/zinc/03/94/64/1168039464.db2.gz VTKZDHIGLGXLTD-CQSZACIVSA-N 2 0 267.417 1.176 10 0 CDAERP CCCCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001567152753 1168046822 /nfs/dbraw/zinc/04/68/22/1168046822.db2.gz AKBHMVRPHFWYJE-HOTGVXAUSA-N 2 0 295.471 1.957 10 0 CDAERP Cc1cc(C[NH2+]CCN(C)C(=O)[C@H]2CCC[N@@H+]2C)cs1 ZINC001567475428 1168059322 /nfs/dbraw/zinc/05/93/22/1168059322.db2.gz IAMLNQCTBFBNHK-CQSZACIVSA-N 2 0 295.452 1.699 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCCF)C2)C1 ZINC001565918533 1168201332 /nfs/dbraw/zinc/20/13/32/1168201332.db2.gz MYJWMPRAKKUUHJ-MELADBBJSA-N 2 0 285.407 1.172 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCCCC[C@H]([NH2+]CC)C1 ZINC001566076210 1168226297 /nfs/dbraw/zinc/22/62/97/1168226297.db2.gz TUFHRGFQGUAQBB-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001566678603 1168385888 /nfs/dbraw/zinc/38/58/88/1168385888.db2.gz AXOHPHFWODKYCP-BWPKMQGJSA-N 2 0 291.439 1.629 10 0 CDAERP CC(C)[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001567017194 1168512301 /nfs/dbraw/zinc/51/23/01/1168512301.db2.gz VTJDMKNHPWUHRP-OLZOCXBDSA-N 2 0 255.406 1.362 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001567073946 1168547140 /nfs/dbraw/zinc/54/71/40/1168547140.db2.gz FOEUTWWINWKAGC-ZBFHGGJFSA-N 2 0 279.428 1.533 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCC[NH+](C)CC2CC2)CC[N@@H+]1C ZINC001567300066 1168667405 /nfs/dbraw/zinc/66/74/05/1168667405.db2.gz ZZDFKKLZXGMHAC-JSGCOSHPSA-N 2 0 267.417 1.175 10 0 CDAERP O=C(N1CC[C@@H](CC[NH2+]CCF)C1)C12CCC[NH+]1CCC2 ZINC001272487065 913245506 /nfs/dbraw/zinc/24/55/06/913245506.db2.gz WDDHKUQJAWHBAJ-CQSZACIVSA-N 2 0 297.418 1.413 10 0 CDAERP COCCCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001266249201 893914430 /nfs/dbraw/zinc/91/44/30/893914430.db2.gz VYDBQTNYXVCIAG-OAHLLOKOSA-N 2 0 297.443 1.089 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000713402841 894098047 /nfs/dbraw/zinc/09/80/47/894098047.db2.gz LIRPKGMSNVLVMP-ZWUHOBOKSA-N 2 0 279.428 1.350 10 0 CDAERP CC(C)CCC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001266962718 896453227 /nfs/dbraw/zinc/45/32/27/896453227.db2.gz VAXPZMRGTKWTBI-ZIAGYGMSSA-N 2 0 269.433 1.611 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC(C)C ZINC001266995543 896516022 /nfs/dbraw/zinc/51/60/22/896516022.db2.gz UYTNYIFSGJKMPF-ZIAGYGMSSA-N 2 0 269.433 1.611 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@H]1CCC[C@H]([NH2+]CCCF)C1 ZINC001267092404 896757205 /nfs/dbraw/zinc/75/72/05/896757205.db2.gz AZBDLLPVKPSFRK-KBPBESRZSA-N 2 0 285.407 1.459 10 0 CDAERP CNC(=O)C(C)(C)C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693714857 897209647 /nfs/dbraw/zinc/20/96/47/897209647.db2.gz BNGWXZXLEKCPDN-GRYCIOLGSA-N 2 0 267.417 1.125 10 0 CDAERP CCCCC[N@@H+]1CC[C@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001267307897 897551437 /nfs/dbraw/zinc/55/14/37/897551437.db2.gz XYGXVKIMZNTPQX-JKSUJKDBSA-N 2 0 295.471 1.957 10 0 CDAERP CCC[NH2+]CC[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001272617628 914185621 /nfs/dbraw/zinc/18/56/21/914185621.db2.gz YHBHIGSRPOAYNM-LSDHHAIUSA-N 2 0 281.444 1.566 10 0 CDAERP CN(CC[NH2+]CC1CCC1)C(=O)C12CCC[NH+](CCC1)C2 ZINC001267390139 897849078 /nfs/dbraw/zinc/84/90/78/897849078.db2.gz KWLUIYIIFNWKSQ-UHFFFAOYSA-N 2 0 293.455 1.711 10 0 CDAERP CCC[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001267393927 897857292 /nfs/dbraw/zinc/85/72/92/897857292.db2.gz YKZJKENLYIFSFE-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)CC[NH2+]Cc1ccc(C)cc1 ZINC001567585371 1168874984 /nfs/dbraw/zinc/87/49/84/1168874984.db2.gz MKPSMMHHEMDLLA-UHFFFAOYSA-N 2 0 291.439 1.885 10 0 CDAERP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C(C)C ZINC001481136947 898963158 /nfs/dbraw/zinc/96/31/58/898963158.db2.gz WIAYPAIWTYAGGN-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CCC[NH2+]C[C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001267989337 900208522 /nfs/dbraw/zinc/20/85/22/900208522.db2.gz ANDXXSRBEYXDHB-CQSZACIVSA-N 2 0 281.444 1.614 10 0 CDAERP CCCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001282156261 901553491 /nfs/dbraw/zinc/55/34/91/901553491.db2.gz BCDVQWUQUKVECN-UONOGXRCSA-N 2 0 281.444 1.898 10 0 CDAERP Cc1ncoc1C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268346992 901906507 /nfs/dbraw/zinc/90/65/07/901906507.db2.gz APLZVBNEKWLFCT-DGCLKSJQSA-N 2 0 294.399 1.062 10 0 CDAERP CCN(CC[NH2+]CC1CCCC1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268451964 902095265 /nfs/dbraw/zinc/09/52/65/902095265.db2.gz SKPBCXGBVHKNIR-GDBMZVCRSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CCC1CC1 ZINC001481818064 902169235 /nfs/dbraw/zinc/16/92/35/902169235.db2.gz DUOJWWHYLMPNHF-AWEZNQCLSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC1=CCCCC1 ZINC001481875828 902251858 /nfs/dbraw/zinc/25/18/58/902251858.db2.gz QIHTYYLQPRJNCJ-CVEARBPZSA-N 2 0 293.455 1.923 10 0 CDAERP CCN(CC[NH2+]CC1CCC1)C(=O)Cc1ncc[nH]1 ZINC001268486802 902344888 /nfs/dbraw/zinc/34/48/88/902344888.db2.gz MHTMUQGCDMSEAQ-UHFFFAOYSA-N 2 0 264.373 1.190 10 0 CDAERP CCN(CC[NH2+]Cc1conc1C)C(=O)C[NH+]1CCCC1 ZINC001268498127 902392685 /nfs/dbraw/zinc/39/26/85/902392685.db2.gz MHILEZZKTNGBBP-UHFFFAOYSA-N 2 0 294.399 1.017 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+][C@@H](C)COC ZINC001268630435 902845249 /nfs/dbraw/zinc/84/52/49/902845249.db2.gz KWGNITPTXAETTN-NHQLZKDQSA-N 2 0 297.443 1.158 10 0 CDAERP CCC[NH2+]C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001268656627 902909870 /nfs/dbraw/zinc/90/98/70/902909870.db2.gz BSOSDVQAVVQNQI-GFCCVEGCSA-N 2 0 255.406 1.365 10 0 CDAERP C[C@@H](C[NH2+]CC=C(Cl)Cl)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268682011 902955142 /nfs/dbraw/zinc/95/51/42/902955142.db2.gz IMMPLZZCGOZSLR-VHSXEESVSA-N 2 0 294.226 1.494 10 0 CDAERP O=C(CC[N@H+]1CC[C@@H](F)C1)N1CCC[NH+]2CCC[C@H]2C1 ZINC001361954311 903005890 /nfs/dbraw/zinc/00/58/90/903005890.db2.gz WOQUHXNEBGPSPV-KGLIPLIRSA-N 2 0 283.391 1.117 10 0 CDAERP CCC[NH2+]C[C@H](NC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001269124847 903451462 /nfs/dbraw/zinc/45/14/62/903451462.db2.gz PLJYPKHLWVFGDI-HNNXBMFYSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001269279358 903647190 /nfs/dbraw/zinc/64/71/90/903647190.db2.gz ZKEGOXHHISESQS-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)(C)[NH+]1CCN(C(=O)[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000711271646 903814161 /nfs/dbraw/zinc/81/41/61/903814161.db2.gz GTBLUHVSUBYGFI-LBPRGKRZSA-N 2 0 267.417 1.175 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC1CC1 ZINC001269454793 903823102 /nfs/dbraw/zinc/82/31/02/903823102.db2.gz RDTHGBZUFLZFNH-KBPBESRZSA-N 2 0 267.417 1.365 10 0 CDAERP CCC[NH2+]C[C@](C)(NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001269645923 904010298 /nfs/dbraw/zinc/01/02/98/904010298.db2.gz RKJNZTYCGWDLLZ-BBRMVZONSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CCF)[NH+]1CCCC1 ZINC001270193516 904430210 /nfs/dbraw/zinc/43/02/10/904430210.db2.gz LFCDWHZFHSQSBF-CABCVRRESA-N 2 0 299.434 1.657 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCCF)[C@@H](C)C1 ZINC001482433952 905394280 /nfs/dbraw/zinc/39/42/80/905394280.db2.gz MJHNTRCQXDPUQL-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]C/C=C/Cl ZINC001423144285 906158054 /nfs/dbraw/zinc/15/80/54/906158054.db2.gz CBVJTWZAFJBFJK-PBYRWIMMSA-N 2 0 287.835 1.517 10 0 CDAERP CC(C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC1CC1 ZINC001482518926 906749471 /nfs/dbraw/zinc/74/94/71/906749471.db2.gz SZWTWQPNQXQDEW-KGLIPLIRSA-N 2 0 267.417 1.221 10 0 CDAERP CC[C@@H](C)C[NH2+]C1(CNC(=O)CC[NH+](C)C)CCOCC1 ZINC001423721303 907740935 /nfs/dbraw/zinc/74/09/35/907740935.db2.gz SLTXVUDWWWZYEA-CQSZACIVSA-N 2 0 299.459 1.239 10 0 CDAERP CC[C@@H](C)C[NH2+]CC[C@@H](C)NC(=O)Cn1cncc1C ZINC001482853662 908431727 /nfs/dbraw/zinc/43/17/27/908431727.db2.gz QBLMMTKZPNCHLV-CHWSQXEVSA-N 2 0 280.416 1.722 10 0 CDAERP CCC[NH2+]CC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001482868506 908448019 /nfs/dbraw/zinc/44/80/19/908448019.db2.gz UXUAFQARAPJJGB-GFCCVEGCSA-N 2 0 255.406 1.223 10 0 CDAERP CCC[NH2+]CCN(CC)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001482925256 908496085 /nfs/dbraw/zinc/49/60/85/908496085.db2.gz OXSACVKODIAWEB-CQSZACIVSA-N 2 0 267.417 1.176 10 0 CDAERP CCN(CC[NH2+]CC1CC1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001482931550 908500422 /nfs/dbraw/zinc/50/04/22/908500422.db2.gz TVLFADCBIHUMBB-HZPDHXFCSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCNC1=[NH+]CCCCN1 ZINC000697725954 909211816 /nfs/dbraw/zinc/21/18/16/909211816.db2.gz XIIHBYUAHZNSTF-CYBMUJFWSA-N 2 0 252.406 1.580 10 0 CDAERP CCCCC[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001483093125 909322135 /nfs/dbraw/zinc/32/21/35/909322135.db2.gz NNRZFWGMXBIMFU-UZYOAWRESA-N 2 0 267.417 1.390 10 0 CDAERP CC[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CCCF ZINC001567985032 1169109547 /nfs/dbraw/zinc/10/95/47/1169109547.db2.gz YOETZSLKOGONHX-OLZOCXBDSA-N 2 0 273.396 1.172 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CC1CCCCC1 ZINC001425002854 910236546 /nfs/dbraw/zinc/23/65/46/910236546.db2.gz BTFUMXKWGIQQDQ-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[C@H](C(=O)N(C)C[C@H](C)[NH2+]CC1CC1)[NH+]1CCCC1 ZINC001425700370 910390308 /nfs/dbraw/zinc/39/03/08/910390308.db2.gz UEATXBWTGOFKKW-GOEBONIOSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001483352146 910957167 /nfs/dbraw/zinc/95/71/67/910957167.db2.gz FICDOADRABNWEA-KGLIPLIRSA-N 2 0 269.433 1.563 10 0 CDAERP CCC[N@H+](C)C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001483354140 910964069 /nfs/dbraw/zinc/96/40/69/910964069.db2.gz XXUYWUNDJZTYCQ-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCCCCF ZINC001483636536 912071799 /nfs/dbraw/zinc/07/17/99/912071799.db2.gz MGCRJPMWEWLSLF-KBPBESRZSA-N 2 0 285.407 1.411 10 0 CDAERP CCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001484065294 915390332 /nfs/dbraw/zinc/39/03/32/915390332.db2.gz LCCFEDINIOSMDE-CZUORRHYSA-N 2 0 292.427 1.969 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H](CC[NH2+]CCCF)C2)C1 ZINC001484547619 915874314 /nfs/dbraw/zinc/87/43/14/915874314.db2.gz SEKKKKIEUVCSKG-GJZGRUSLSA-N 2 0 299.434 1.516 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C3CCCC3)[C@H](C)C2)C1 ZINC001413563330 936184234 /nfs/dbraw/zinc/18/42/34/936184234.db2.gz SKXZQCYWHMUUOT-LSDHHAIUSA-N 2 0 293.455 1.804 10 0 CDAERP Cc1ccncc1C[N@@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001485345663 916861519 /nfs/dbraw/zinc/86/15/19/916861519.db2.gz OJIQYXQXIVZKKA-CQSZACIVSA-N 2 0 292.427 1.278 10 0 CDAERP CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@@H](C)[NH+](C)C ZINC001434413707 917291685 /nfs/dbraw/zinc/29/16/85/917291685.db2.gz GHWMRSOJOHOXEH-KFWWJZLASA-N 2 0 281.444 1.658 10 0 CDAERP CCCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001485833779 919855550 /nfs/dbraw/zinc/85/55/50/919855550.db2.gz MKDJNPJRZFYOPP-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001490982149 936837629 /nfs/dbraw/zinc/83/76/29/936837629.db2.gz KWMJPVRYSGQIQE-GJZGRUSLSA-N 2 0 281.444 1.661 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC[C@H](C)F)C1 ZINC001491071276 936850887 /nfs/dbraw/zinc/85/08/87/936850887.db2.gz YFKKWVFYLBCMRQ-RWMBFGLXSA-N 2 0 273.396 1.313 10 0 CDAERP CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001491080440 936851782 /nfs/dbraw/zinc/85/17/82/936851782.db2.gz NWWBCXQNEONNHS-QLFBSQMISA-N 2 0 281.444 1.754 10 0 CDAERP CC(C)COC[C@H](O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000923364704 923777080 /nfs/dbraw/zinc/77/70/80/923777080.db2.gz QHISQKRZFRQKPR-XHSDSOJGSA-N 2 0 284.444 1.484 10 0 CDAERP C[C@H]1C[N@H+](Cc2ccc3oc(=O)n(C)c3c2)CC[C@@H]1C[NH3+] ZINC000923489284 923874358 /nfs/dbraw/zinc/87/43/58/923874358.db2.gz IJYCIYLXTLMESA-WCQYABFASA-N 2 0 289.379 1.548 10 0 CDAERP CN(CC[N@H+](C)C1CC1)C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC001118205840 923930749 /nfs/dbraw/zinc/93/07/49/923930749.db2.gz SRFPQALKVTYIJP-QWHCGFSZSA-N 2 0 253.390 1.057 10 0 CDAERP C[NH2+]C1CCN(C(=O)[C@H]([NH3+])C2CCCCC2)CC1 ZINC001118261002 924060930 /nfs/dbraw/zinc/06/09/30/924060930.db2.gz MIBQOOGBOQTOTH-CYBMUJFWSA-N 2 0 253.390 1.104 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCCF)CCC1 ZINC001273201309 924538327 /nfs/dbraw/zinc/53/83/27/924538327.db2.gz LBRBHXGMTUMMMM-AWEZNQCLSA-N 2 0 299.434 1.849 10 0 CDAERP CC[C@@H](F)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001410165519 925334277 /nfs/dbraw/zinc/33/42/77/925334277.db2.gz XAAGXHDEVWRMSF-TUVASFSCSA-N 2 0 299.434 1.370 10 0 CDAERP CC(C)C[NH2+][C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001410282588 925494624 /nfs/dbraw/zinc/49/46/24/925494624.db2.gz RZMLDICCUMNEET-HUUCEWRRSA-N 2 0 283.460 1.715 10 0 CDAERP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1cccc(F)c1 ZINC001410429236 925651625 /nfs/dbraw/zinc/65/16/25/925651625.db2.gz FBUASCRSNZZCOA-CYBMUJFWSA-N 2 0 295.402 1.714 10 0 CDAERP CCN(CC[NH2+]Cc1ccccn1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001273297768 925758575 /nfs/dbraw/zinc/75/85/75/925758575.db2.gz AKASNWAGSPBSQW-OAHLLOKOSA-N 2 0 290.411 1.114 10 0 CDAERP CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001410509819 925849218 /nfs/dbraw/zinc/84/92/18/925849218.db2.gz MMSIOKDLIRKLIP-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CC[N@@H+]1CC[C@]2(NC(=O)CC[C@H]3CCC[NH+]3C)CCC[C@H]12 ZINC001410896274 926742959 /nfs/dbraw/zinc/74/29/59/926742959.db2.gz KJZRWJABNAJTBD-HLLBOEOZSA-N 2 0 293.455 1.994 10 0 CDAERP CC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC(C)(C)C1 ZINC001489347734 926878071 /nfs/dbraw/zinc/87/80/71/926878071.db2.gz QNCRQMHCICICRX-AWEZNQCLSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1CCC ZINC001490204089 927006099 /nfs/dbraw/zinc/00/60/99/927006099.db2.gz DRYTUQOUGXVYPU-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP C[N@@H+](C/C=C\Cl)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001490214953 927015617 /nfs/dbraw/zinc/01/56/17/927015617.db2.gz FEVPSJQQGLWNLB-DMTLFAOVSA-N 2 0 287.835 1.661 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH+](C/C=C\Cl)C2CC2)C1 ZINC001490394475 927149035 /nfs/dbraw/zinc/14/90/35/927149035.db2.gz VYRBZFNYIASIIL-WPRPQAPASA-N 2 0 299.846 1.661 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CC2CC2)CC1 ZINC001495403405 927289671 /nfs/dbraw/zinc/28/96/71/927289671.db2.gz LWIVUNPHDMOFRQ-INIZCTEOSA-N 2 0 293.455 1.709 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H](C[NH+](C)CCF)C2)C1 ZINC001490771464 927338575 /nfs/dbraw/zinc/33/85/75/927338575.db2.gz HKZPZQGRHMLBON-LSDHHAIUSA-N 2 0 299.434 1.468 10 0 CDAERP c1c(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)sc2c1C[NH2+]CC2 ZINC000690350816 927790718 /nfs/dbraw/zinc/79/07/18/927790718.db2.gz YBHUFDNMTHJSPI-DGCLKSJQSA-N 2 0 278.421 1.862 10 0 CDAERP CC(C)C[C@@H](CNC(=O)C=C1CC[NH2+]CC1)[NH+](C)C ZINC000852856557 927898717 /nfs/dbraw/zinc/89/87/17/927898717.db2.gz AJXYTTCKBPBZDF-AWEZNQCLSA-N 2 0 267.417 1.389 10 0 CDAERP CCOC[C@H](O)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000692873005 937235930 /nfs/dbraw/zinc/23/59/30/937235930.db2.gz NKCAYXPYVUSTTM-HUUCEWRRSA-N 2 0 270.417 1.095 10 0 CDAERP CCCCC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001274250475 931484850 /nfs/dbraw/zinc/48/48/50/931484850.db2.gz HIOLOUZIGMHKAT-GOEBONIOSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC(C)([NH2+]CCCF)CC2)C1 ZINC001274375637 931494868 /nfs/dbraw/zinc/49/48/68/931494868.db2.gz XPFDOHWTJZFUTK-CQSZACIVSA-N 2 0 299.434 1.659 10 0 CDAERP CCC[NH2+]CC1CC(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001275332598 931737472 /nfs/dbraw/zinc/73/74/72/931737472.db2.gz ZUZXZQMUFRWVPD-UHFFFAOYSA-N 2 0 281.444 1.757 10 0 CDAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]C/C=C/Cl ZINC001441953293 931758857 /nfs/dbraw/zinc/75/88/57/931758857.db2.gz RHIBECNUCXHZTL-WEPHUFDCSA-N 2 0 273.808 1.175 10 0 CDAERP CCOCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1CC ZINC001275729032 931982982 /nfs/dbraw/zinc/98/29/82/931982982.db2.gz JHPFNTRPWNIAHZ-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CCF ZINC001275807114 932053439 /nfs/dbraw/zinc/05/34/39/932053439.db2.gz QOGHBJKFJZDRJO-UONOGXRCSA-N 2 0 287.423 1.562 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]([NH+](C)C)C23CCC3)C1 ZINC001412389646 932405302 /nfs/dbraw/zinc/40/53/02/932405302.db2.gz AXBPOLICJGCNNZ-MCIONIFRSA-N 2 0 279.428 1.317 10 0 CDAERP CC[C@H](C(=O)N(C)CCC[NH2+]Cc1cc(C)on1)[NH+](C)C ZINC001276070622 932489408 /nfs/dbraw/zinc/48/94/08/932489408.db2.gz JQXQQTCPRLJSEW-CQSZACIVSA-N 2 0 296.415 1.261 10 0 CDAERP COC(=O)c1coc([C@@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000925804024 932940206 /nfs/dbraw/zinc/94/02/06/932940206.db2.gz XYQXVFUYQOEQFX-IJLUTSLNSA-N 2 0 280.368 1.962 10 0 CDAERP C(c1nc([C@H]2C[NH+]3CCC2CC3)no1)[C@H]1CC[NH2+]C1 ZINC001118605618 937646325 /nfs/dbraw/zinc/64/63/25/937646325.db2.gz OUDVBAGOGBLGNC-PWSUYJOCSA-N 2 0 262.357 1.031 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001412851596 935060155 /nfs/dbraw/zinc/06/01/55/935060155.db2.gz XJRHFJZQMXNTSQ-HNNXBMFYSA-N 2 0 283.460 1.907 10 0 CDAERP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C1([NH+](C)C)CCCC1 ZINC001412931091 935098941 /nfs/dbraw/zinc/09/89/41/935098941.db2.gz RLZWGCGOFAUVGD-HUUCEWRRSA-N 2 0 293.455 1.946 10 0 CDAERP C[NH+](C)CCCC(C)(C)NC(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001412975763 935136191 /nfs/dbraw/zinc/13/61/91/935136191.db2.gz GGYKERYXIVIZEG-CYBMUJFWSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)NCC[C@@H](C)[NH+](C)C)CC1 ZINC001413273937 935970953 /nfs/dbraw/zinc/97/09/53/935970953.db2.gz SWFUVGOBELSUAB-CQSZACIVSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@H](CC[NH2+]CCCF)NC(=O)C1CC[NH+](C)CC1 ZINC001568674237 1169425237 /nfs/dbraw/zinc/42/52/37/1169425237.db2.gz IWJFAUOAFZCDQJ-GFCCVEGCSA-N 2 0 273.396 1.172 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]CCCF)C2CCCC2)C1 ZINC001278289676 945337589 /nfs/dbraw/zinc/33/75/89/945337589.db2.gz XSKWOIULXTXWMQ-HUUCEWRRSA-N 2 0 299.434 1.562 10 0 CDAERP [NH3+][C@H]1C[C@@H]([NH2+]CC2(CO)CCCCC2)C12CCC2 ZINC000405207663 940974213 /nfs/dbraw/zinc/97/42/13/940974213.db2.gz BBMJFMKTSRNOHR-QWHCGFSZSA-N 2 0 252.402 1.789 10 0 CDAERP C[NH+](C)C1(CN[C@H]2C[C@@H]([NH3+])C23CCC3)CCCC1 ZINC000405200372 940974648 /nfs/dbraw/zinc/97/46/48/940974648.db2.gz AGBDGSMXPFNDSN-OLZOCXBDSA-N 2 0 251.418 1.720 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]CCCOC[C@@H]2CCCO2)C12CCC2 ZINC000405296543 940980034 /nfs/dbraw/zinc/98/00/34/940980034.db2.gz HAVXXIUXXNVBSO-BFHYXJOUSA-N 2 0 268.401 1.432 10 0 CDAERP CC[NH2+]CCN(CC)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001568749696 1169460148 /nfs/dbraw/zinc/46/01/48/1169460148.db2.gz NWRAIBCGHPWRCF-CYBMUJFWSA-N 2 0 255.406 1.319 10 0 CDAERP CC(C)[NH2+]CCC[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001277355360 942417644 /nfs/dbraw/zinc/41/76/44/942417644.db2.gz GMHIYUBSPMTPGY-CYBMUJFWSA-N 2 0 255.406 1.365 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]CCCCCF)CCC2)C1 ZINC001280545748 942459666 /nfs/dbraw/zinc/45/96/66/942459666.db2.gz RXNFBCUUPBZNIU-CQSZACIVSA-N 2 0 299.434 1.706 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC001362121378 970912875 /nfs/dbraw/zinc/91/28/75/970912875.db2.gz BLUARJHJAPCBCZ-CYBMUJFWSA-N 2 0 293.411 1.945 10 0 CDAERP CC(C)=CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001283278058 942870662 /nfs/dbraw/zinc/87/06/62/942870662.db2.gz HIZPCRXWYSPWGR-HUUCEWRRSA-N 2 0 281.444 1.779 10 0 CDAERP CCC[NH2+][C@@H](C)CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001277853382 943823493 /nfs/dbraw/zinc/82/34/93/943823493.db2.gz FBTIOFXZEXUVNR-KBPBESRZSA-N 2 0 269.433 1.707 10 0 CDAERP CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC000722168135 943963045 /nfs/dbraw/zinc/96/30/45/943963045.db2.gz ZZUIYNWCNAOWSP-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP CC[C@H](C(=O)N1CCC(C)(C)[NH2+]C(C)(C)C1)[NH+](C)C ZINC001263993268 944056917 /nfs/dbraw/zinc/05/69/17/944056917.db2.gz ZIHIRLXXEBYVLO-GFCCVEGCSA-N 2 0 269.433 1.706 10 0 CDAERP CC[NH+](CC)CC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001264012126 944063248 /nfs/dbraw/zinc/06/32/48/944063248.db2.gz HACJWKSVXUWZIC-CYBMUJFWSA-N 2 0 269.433 1.565 10 0 CDAERP CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+](C)C(C)C)C1 ZINC001265708923 944476456 /nfs/dbraw/zinc/47/64/56/944476456.db2.gz VYKKKZVXLVEHSL-ZIAGYGMSSA-N 2 0 269.433 1.563 10 0 CDAERP C[C@@H]1[C@@H]([NH2+]CCCF)CCN1C(=O)CCCC[NH+](C)C ZINC001278316252 945927744 /nfs/dbraw/zinc/92/77/44/945927744.db2.gz QHCSQKLKABKFFU-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP CCCN(CCC[NH+](C)C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001362364326 971194191 /nfs/dbraw/zinc/19/41/91/971194191.db2.gz FNGIXEAOCSASDN-LSDHHAIUSA-N 2 0 283.460 1.907 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC[C@@H](C)F)C1 ZINC001480173330 971612803 /nfs/dbraw/zinc/61/28/03/971612803.db2.gz FWQUPSIRIDRJJO-KBUPBQIOSA-N 2 0 299.434 1.846 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001480236789 971641390 /nfs/dbraw/zinc/64/13/90/971641390.db2.gz BGYINLWRECKFIQ-MELADBBJSA-N 2 0 267.417 1.221 10 0 CDAERP C[NH+](C)[C@@H]1C[C@@H](NC(=O)CC[N@@H+]2CC[C@H](F)C2)C1(C)C ZINC001362827249 971648817 /nfs/dbraw/zinc/64/88/17/971648817.db2.gz MMYUAADDSVIYKA-YNEHKIRRSA-N 2 0 285.407 1.265 10 0 CDAERP CC(C)CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001480276013 971656195 /nfs/dbraw/zinc/65/61/95/971656195.db2.gz IGDXJHKWKFLGDW-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CCCF)C2)CC1 ZINC001278596152 950346499 /nfs/dbraw/zinc/34/64/99/950346499.db2.gz ZVOLQYIGXIXXOG-UKRRQHHQSA-N 2 0 299.434 1.562 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC001362841186 971659537 /nfs/dbraw/zinc/65/95/37/971659537.db2.gz GMIIVNIFBYUQSS-ZIAGYGMSSA-N 2 0 283.460 1.811 10 0 CDAERP CCCC[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001480411587 971707434 /nfs/dbraw/zinc/70/74/34/971707434.db2.gz QRRIKFPPFCMLAG-WLYUNCDWSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001480624337 971814590 /nfs/dbraw/zinc/81/45/90/971814590.db2.gz JZGCANVKVGSSJB-KBPBESRZSA-N 2 0 267.417 1.175 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]C/C=C\Cl)C1 ZINC001480654457 971826473 /nfs/dbraw/zinc/82/64/73/971826473.db2.gz VVNQHVLDSVJUDT-WREBYIDWSA-N 2 0 299.846 1.661 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NCCC[C@@H]2CCC[NH+]2CC2CC2)C1 ZINC001480832842 971897588 /nfs/dbraw/zinc/89/75/88/971897588.db2.gz IADWUWPICLBWJT-HZPDHXFCSA-N 2 0 293.455 1.709 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CCC(C)(C)[NH2+]C(C)(C)C2)CC[N@@H+]1C ZINC001363980422 954096155 /nfs/dbraw/zinc/09/61/55/954096155.db2.gz ZWQKALBYXMVRGF-CHWSQXEVSA-N 2 0 281.444 1.706 10 0 CDAERP CCCCC[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001493240239 971994574 /nfs/dbraw/zinc/99/45/74/971994574.db2.gz PWWVDDPCJIUXMV-HZPDHXFCSA-N 2 0 295.471 1.957 10 0 CDAERP CCC[N@H+](CCF)CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001493299074 972012015 /nfs/dbraw/zinc/01/20/15/972012015.db2.gz JNNXDSSDZPOIEJ-LSDHHAIUSA-N 2 0 299.434 1.801 10 0 CDAERP CCC[N@H+](CCF)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001493299072 972011715 /nfs/dbraw/zinc/01/17/15/972011715.db2.gz JNNXDSSDZPOIEJ-GJZGRUSLSA-N 2 0 299.434 1.801 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CCC([NH+]3CCC3)CC2)C1 ZINC001363289498 972056152 /nfs/dbraw/zinc/05/61/52/972056152.db2.gz YYZKPGVBORZHJV-GOEBONIOSA-N 2 0 293.455 1.804 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]C/C=C/Cl ZINC001493548248 972081022 /nfs/dbraw/zinc/08/10/22/972081022.db2.gz ZOEKOSPCKDFUII-VUDGCMKMSA-N 2 0 287.835 1.660 10 0 CDAERP [NH3+][C@@H]1CCCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC001328491687 955311291 /nfs/dbraw/zinc/31/12/91/955311291.db2.gz ITTUEWOLWMOTAU-QNSTZXKLSA-N 2 0 265.401 1.090 10 0 CDAERP CC[N@H+](C)[C@H](C(=O)NC[C@H](C)[NH2+]CCF)c1ccccc1 ZINC001491640122 955340347 /nfs/dbraw/zinc/34/03/47/955340347.db2.gz PCUXGYDBJSJKIL-ZFWWWQNUSA-N 2 0 295.402 1.743 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001491805336 955407622 /nfs/dbraw/zinc/40/76/22/955407622.db2.gz SACOKHYQDOWYGN-GOEBONIOSA-N 2 0 293.455 1.422 10 0 CDAERP CCOCC[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001491897642 955498923 /nfs/dbraw/zinc/49/89/23/955498923.db2.gz YTYQBTPPHJIMKX-CABCVRRESA-N 2 0 299.459 1.380 10 0 CDAERP CC[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1nocc1C)[NH+](C)C ZINC001421762447 955534255 /nfs/dbraw/zinc/53/42/55/955534255.db2.gz ZLKBZWYJKCKADL-RISCZKNCSA-N 2 0 296.415 1.165 10 0 CDAERP CC[NH2+]CC1CC(NC(=O)CCCC[NH+](C)C)C1 ZINC001328940501 955569815 /nfs/dbraw/zinc/56/98/15/955569815.db2.gz IPWNQGNXIFGRQU-UHFFFAOYSA-N 2 0 255.406 1.223 10 0 CDAERP CC[NH2+][C@@H](C)[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001329198491 955751775 /nfs/dbraw/zinc/75/17/75/955751775.db2.gz XHYSIYUXRUCCHV-KBPBESRZSA-N 2 0 269.433 1.755 10 0 CDAERP CO[C@H](C)C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C(C)C ZINC001493858005 972127301 /nfs/dbraw/zinc/12/73/01/972127301.db2.gz MWLMBYLIGSJZCV-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP C[C@@H]([NH2+]Cc1cncs1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001422377924 955970000 /nfs/dbraw/zinc/97/00/00/955970000.db2.gz HTLRJPPPSVAADE-MNOVXSKESA-N 2 0 284.429 1.078 10 0 CDAERP C[C@@H]([NH2+]Cc1ccccn1)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001422389063 955976200 /nfs/dbraw/zinc/97/62/00/955976200.db2.gz QAQUMLMSXYGWCJ-KGLIPLIRSA-N 2 0 292.427 1.406 10 0 CDAERP CCCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](C(C)C)C1 ZINC001493976773 972150285 /nfs/dbraw/zinc/15/02/85/972150285.db2.gz HISPEQGGBWQVGG-GJZGRUSLSA-N 2 0 281.444 1.659 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccnc(F)c1 ZINC001329710095 956076086 /nfs/dbraw/zinc/07/60/86/956076086.db2.gz HZAHAWJDDIZVGH-CYBMUJFWSA-N 2 0 269.364 1.667 10 0 CDAERP CCCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001329997229 956227610 /nfs/dbraw/zinc/22/76/10/956227610.db2.gz KCGFUWXZRDIZRD-IIAWOOMASA-N 2 0 295.471 1.953 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]([NH+](C)CC)C2)C1 ZINC001365655549 956271316 /nfs/dbraw/zinc/27/13/16/956271316.db2.gz RGEPDNYDWAWFQH-UONOGXRCSA-N 2 0 282.432 1.206 10 0 CDAERP C[C@H](F)CC[NH+]1CC([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001422761186 956313606 /nfs/dbraw/zinc/31/36/06/956313606.db2.gz MZYOTWADVUQRSJ-STQMWFEESA-N 2 0 285.407 1.267 10 0 CDAERP CCc1nccn1CCNC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC001363446351 972173926 /nfs/dbraw/zinc/17/39/26/972173926.db2.gz IFBZHNCKAVHCBW-CYBMUJFWSA-N 2 0 276.384 1.189 10 0 CDAERP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1)c1ccccc1 ZINC001366122718 956583055 /nfs/dbraw/zinc/58/30/55/956583055.db2.gz GRBRMBCSVWXIKO-BPUTZDHNSA-N 2 0 289.423 1.936 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001366136969 956592262 /nfs/dbraw/zinc/59/22/62/956592262.db2.gz UVOKRJYMUWSKGK-JHJVBQTASA-N 2 0 283.391 1.067 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@H]1CCCC[N@@H+]1CC ZINC001366205194 956639233 /nfs/dbraw/zinc/63/92/33/956639233.db2.gz VTRBZFKGBOPCDR-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP CCC(CC)C[N@@H+]1CC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001423185017 956652722 /nfs/dbraw/zinc/65/27/22/956652722.db2.gz ZWZFJIZEACVPNQ-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)CCCC(=O)NCC1([NH2+]Cc2ccsc2)CC1 ZINC001423262504 956693541 /nfs/dbraw/zinc/69/35/41/956693541.db2.gz ZFTPDUGZPAFKCU-UHFFFAOYSA-N 2 0 295.452 1.828 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]CCF ZINC001330986362 956743447 /nfs/dbraw/zinc/74/34/47/956743447.db2.gz CZPWLJQQNHZXFQ-KGLIPLIRSA-N 2 0 287.423 1.705 10 0 CDAERP CC[C@@H](C(=O)NC[C@H](C)[NH2+]CCC(C)(C)C)[NH+](C)C ZINC001366349252 956761314 /nfs/dbraw/zinc/76/13/14/956761314.db2.gz AUHICNAHYJMZEV-STQMWFEESA-N 2 0 271.449 1.857 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001366665874 957100313 /nfs/dbraw/zinc/10/03/13/957100313.db2.gz GIVPCVGNKSEJEB-GJZGRUSLSA-N 2 0 281.444 1.565 10 0 CDAERP COCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001317061897 957237933 /nfs/dbraw/zinc/23/79/33/957237933.db2.gz OPEMXZYRZWWEGY-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001317090565 957262006 /nfs/dbraw/zinc/26/20/06/957262006.db2.gz CRVVGYVYZWAIET-KKUMJFAQSA-N 2 0 279.428 1.531 10 0 CDAERP CC(C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001317111602 957279104 /nfs/dbraw/zinc/27/91/04/957279104.db2.gz JSAWHYQMBDZNKK-XQQFMLRXSA-N 2 0 255.406 1.218 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]2C[NH+](C)CCCF)C1 ZINC001424705791 957315381 /nfs/dbraw/zinc/31/53/81/957315381.db2.gz LDSQMNKMQBMJEZ-GJZGRUSLSA-N 2 0 299.434 1.611 10 0 CDAERP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCCC[C@H]1C[NH2+]CCF ZINC001317186014 957331281 /nfs/dbraw/zinc/33/12/81/957331281.db2.gz FUYDSEUJSGVRRH-LSDHHAIUSA-N 2 0 297.418 1.268 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC001367008239 957332090 /nfs/dbraw/zinc/33/20/90/957332090.db2.gz XGODAZHJILDFPE-UONOGXRCSA-N 2 0 285.407 1.267 10 0 CDAERP C[C@@H]1[C@H]([NH2+]CCCF)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001331927816 957341838 /nfs/dbraw/zinc/34/18/38/957341838.db2.gz GWPBBDREAGAKJQ-CHWSQXEVSA-N 2 0 283.391 1.021 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001367061822 957375455 /nfs/dbraw/zinc/37/54/55/957375455.db2.gz WJPXTKOMSARDBH-HUUCEWRRSA-N 2 0 283.460 1.905 10 0 CDAERP CCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](CCC[C@@H](C)O)C1 ZINC001367065079 957378911 /nfs/dbraw/zinc/37/89/11/957378911.db2.gz AYIRWQIYSDEXNT-HUUCEWRRSA-N 2 0 299.459 1.022 10 0 CDAERP CC[NH2+][C@@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001317271844 957395144 /nfs/dbraw/zinc/39/51/44/957395144.db2.gz OLPINVRILMKKTL-STQMWFEESA-N 2 0 255.406 1.365 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]CCCF)CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001332031482 957407561 /nfs/dbraw/zinc/40/75/61/957407561.db2.gz YCQXEEDMXKFTMB-QWHCGFSZSA-N 2 0 285.407 1.267 10 0 CDAERP CC[NH+](CC)CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001317481986 957503996 /nfs/dbraw/zinc/50/39/96/957503996.db2.gz OHTNGOAUOVTBTN-CQSZACIVSA-N 2 0 269.433 1.565 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC)C[C@H]21)[NH+](CC)CC ZINC001425360914 957519401 /nfs/dbraw/zinc/51/94/01/957519401.db2.gz OVQHZXLLHNKNTC-APIJFGDWSA-N 2 0 281.444 1.421 10 0 CDAERP CC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001317554151 957548641 /nfs/dbraw/zinc/54/86/41/957548641.db2.gz HSAZNCYLDSPEFK-UHFFFAOYSA-N 2 0 267.417 1.461 10 0 CDAERP CC[N@H+](C)CC1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001317883862 957809185 /nfs/dbraw/zinc/80/91/85/957809185.db2.gz GNMUWSMQQHPCTP-UHFFFAOYSA-N 2 0 269.433 1.517 10 0 CDAERP CC(C)[NH2+]C[C@@](C)(NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001367189313 957832444 /nfs/dbraw/zinc/83/24/44/957832444.db2.gz CCTLTNOBBKGYOY-CZUORRHYSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)C[NH+]1CC(CNC(=O)CCCC[NH+](C)C)C1 ZINC001318169971 957955725 /nfs/dbraw/zinc/95/57/25/957955725.db2.gz VYJZBMAZZUXODR-UHFFFAOYSA-N 2 0 269.433 1.422 10 0 CDAERP CC(C)[NH2+]CC[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001318830293 958276966 /nfs/dbraw/zinc/27/69/66/958276966.db2.gz DZPWBZXBJVXLHN-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001319079157 958366576 /nfs/dbraw/zinc/36/65/76/958366576.db2.gz TUGJMAARQWPGPD-CABCVRRESA-N 2 0 281.444 1.851 10 0 CDAERP C[NH+](C)CCC(=O)NCC1([NH2+]CCC(F)(F)F)CC1 ZINC001368019297 958582821 /nfs/dbraw/zinc/58/28/21/958582821.db2.gz SCOLJWBXELOPMR-UHFFFAOYSA-N 2 0 281.322 1.129 10 0 CDAERP C[C@@H](C[NH2+]CCC1CC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001319515324 958606273 /nfs/dbraw/zinc/60/62/73/958606273.db2.gz PZBWYRAAASVTOC-ZFWWWQNUSA-N 2 0 281.444 1.707 10 0 CDAERP CCOCC[NH2+][C@H](CC)CNC(=O)C12CCC[NH+]1CCC2 ZINC001495012362 972373608 /nfs/dbraw/zinc/37/36/08/972373608.db2.gz FJENKMANSWGQDZ-CQSZACIVSA-N 2 0 297.443 1.136 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CC[NH2+]C(C)C)C2)CC[N@@H+]1C ZINC001368433001 958848047 /nfs/dbraw/zinc/84/80/47/958848047.db2.gz XMCRDHKEELLEDH-OWCLPIDISA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC[C@H](C)F)C1)[NH+](C)C ZINC001368502593 958907676 /nfs/dbraw/zinc/90/76/76/958907676.db2.gz WQVXGJCKMGVSPV-FQUUOJAGSA-N 2 0 287.423 1.559 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)CCO1 ZINC001368509556 958913723 /nfs/dbraw/zinc/91/37/23/958913723.db2.gz KXXPVTVLLYTGNM-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](CC)[NH+](C)C ZINC001368781356 959119126 /nfs/dbraw/zinc/11/91/26/959119126.db2.gz SHPYZRDCEOLPGF-BZUAXINKSA-N 2 0 289.423 1.718 10 0 CDAERP Cc1nnc(CCN2CCC[C@@H]([NH+](C)C)CC2)o1 ZINC001334885152 959433184 /nfs/dbraw/zinc/43/31/84/959433184.db2.gz YDNXSOVXPSMQSI-GFCCVEGCSA-N 2 0 252.362 1.337 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC([NH+](C)CCCF)CC1 ZINC001369184202 959510884 /nfs/dbraw/zinc/51/08/84/959510884.db2.gz CKPBCWTURYLCQV-UHFFFAOYSA-N 2 0 287.423 1.609 10 0 CDAERP CC1CC(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001320997939 959521194 /nfs/dbraw/zinc/52/11/94/959521194.db2.gz LVZHXLDATJVVSP-XQWPFEOXSA-N 2 0 279.428 1.389 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)C[NH+]1CCCC1 ZINC001369220599 959540010 /nfs/dbraw/zinc/54/00/10/959540010.db2.gz JBWKLCQVNKKMAS-GOEBONIOSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CC1CC1 ZINC001369273610 959597758 /nfs/dbraw/zinc/59/77/58/959597758.db2.gz OKXBQRMECQGQTB-ZDUSSCGKSA-N 2 0 281.444 1.707 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)NC/C=C/C[NH2+]CC)C1 ZINC001321208928 959658117 /nfs/dbraw/zinc/65/81/17/959658117.db2.gz LXXBYSKUAYLZEV-GJBLVYBDSA-N 2 0 267.417 1.390 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001369412583 959671888 /nfs/dbraw/zinc/67/18/88/959671888.db2.gz NANDXHTZBHYNCE-LZWOXQAQSA-N 2 0 299.434 1.799 10 0 CDAERP C[C@@H](C(=O)NC/C=C/C[NH2+]CC1CC1)[NH+]1CCCCCC1 ZINC001321282155 959695608 /nfs/dbraw/zinc/69/56/08/959695608.db2.gz VHFQAIIFQNPTIZ-RGDDUWESSA-N 2 0 293.455 1.923 10 0 CDAERP CCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1C ZINC001335384588 959763406 /nfs/dbraw/zinc/76/34/06/959763406.db2.gz ZNVROVTYOBEALQ-KBPBESRZSA-N 2 0 267.417 1.461 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC/C=C\C[NH2+]CC1CC(C)C1 ZINC001321418782 959774013 /nfs/dbraw/zinc/77/40/13/959774013.db2.gz IXLPLFFNDVTAMS-WAYWQWQTSA-N 2 0 281.444 1.635 10 0 CDAERP CCOCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001321663949 959897526 /nfs/dbraw/zinc/89/75/26/959897526.db2.gz YAHPWHUMTZHXOZ-HUUCEWRRSA-N 2 0 299.459 1.380 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CC12CC[NH+](CC(C)C)CC2)[NH+](C)C ZINC001370086593 959987213 /nfs/dbraw/zinc/98/72/13/959987213.db2.gz SDLLNDVIVWLPIQ-CABCVRRESA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001370396017 960082038 /nfs/dbraw/zinc/08/20/38/960082038.db2.gz SFRCACPYACVMEH-KBPBESRZSA-N 2 0 299.434 1.799 10 0 CDAERP C[C@H](F)CC[NH2+][C@@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001370533397 960140299 /nfs/dbraw/zinc/14/02/99/960140299.db2.gz SXYHMCSYAPVMIA-KKUMJFAQSA-N 2 0 299.434 1.703 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001370668038 960178408 /nfs/dbraw/zinc/17/84/08/960178408.db2.gz SGOWYLKVXWANCN-AEGPPILISA-N 2 0 281.444 1.611 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@H](C[NH2+]C/C=C/Cl)C2CC2)C1 ZINC001323065661 960430695 /nfs/dbraw/zinc/43/06/95/960430695.db2.gz UWIOGRVIEZIDFB-SZOGZUGYSA-N 2 0 299.846 1.565 10 0 CDAERP CC(C)[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001418856820 961101923 /nfs/dbraw/zinc/10/19/23/961101923.db2.gz SWZDXFCMKDNUIG-HZPDHXFCSA-N 2 0 289.423 1.794 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001418921370 961160058 /nfs/dbraw/zinc/16/00/58/961160058.db2.gz SCHNOUZEMKIUFA-HUUCEWRRSA-N 2 0 299.434 1.659 10 0 CDAERP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[C@@H]1C[NH2+]CCCF ZINC001324163988 961210289 /nfs/dbraw/zinc/21/02/89/961210289.db2.gz SMOJCZDPSWMQPY-HUUCEWRRSA-N 2 0 297.418 1.268 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC[C@H](C)F ZINC001419056937 961314056 /nfs/dbraw/zinc/31/40/56/961314056.db2.gz IKNXEMOKHSQETQ-IHRRRGAJSA-N 2 0 285.407 1.361 10 0 CDAERP CC[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]C(C)C ZINC001419207651 961502047 /nfs/dbraw/zinc/50/20/47/961502047.db2.gz GABYFHRBDJDPLN-AWEZNQCLSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001419373547 961640133 /nfs/dbraw/zinc/64/01/33/961640133.db2.gz UKDXLEZYWIGENO-TUVASFSCSA-N 2 0 299.434 1.846 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nocc2C)C1 ZINC001419516133 961780213 /nfs/dbraw/zinc/78/02/13/961780213.db2.gz KOXCJHFKDXTQTB-BETUJISGSA-N 2 0 294.399 1.062 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]([NH+](C)CC2CC2)C1 ZINC001420050162 962421922 /nfs/dbraw/zinc/42/19/22/962421922.db2.gz MSAOJCPOIUWUJZ-HNNXBMFYSA-N 2 0 281.444 1.659 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001436919396 962496672 /nfs/dbraw/zinc/49/66/72/962496672.db2.gz IPKJXWMJEDHBLR-JHJVBQTASA-N 2 0 283.391 1.067 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]CCC(C)(C)C ZINC001437259357 962774487 /nfs/dbraw/zinc/77/44/87/962774487.db2.gz FEOSHAPCFBRZTE-CYBMUJFWSA-N 2 0 271.449 1.857 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)CC1CCC1 ZINC001437483472 962946440 /nfs/dbraw/zinc/94/64/40/962946440.db2.gz IKPUUIBEUCNEFD-HOTGVXAUSA-N 2 0 293.455 1.851 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001437497188 962960829 /nfs/dbraw/zinc/96/08/29/962960829.db2.gz DKXZIHKMEKNAGE-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP COCC[N@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001420673177 963176833 /nfs/dbraw/zinc/17/68/33/963176833.db2.gz HCDMYEGLIZGTMP-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP CC[N@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](C3CC3)CC2)C1 ZINC001420804722 963258099 /nfs/dbraw/zinc/25/80/99/963258099.db2.gz DZDHGRPXOORSCW-OAHLLOKOSA-N 2 0 279.428 1.413 10 0 CDAERP CN(C(=O)CC[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CCCF)C1 ZINC001438236931 963376443 /nfs/dbraw/zinc/37/64/43/963376443.db2.gz VHEBYMNCEWENHV-LSDHHAIUSA-N 2 0 299.434 1.753 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001438241193 963381720 /nfs/dbraw/zinc/38/17/20/963381720.db2.gz JVGJKWSSLSLIRG-UONOGXRCSA-N 2 0 287.423 1.609 10 0 CDAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH2+]CCF ZINC001438294356 963408043 /nfs/dbraw/zinc/40/80/43/963408043.db2.gz GXCOCRFSXIDUPD-RWMBFGLXSA-N 2 0 273.396 1.171 10 0 CDAERP CC[C@@H](C)C[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C(C)C ZINC001438836070 963567375 /nfs/dbraw/zinc/56/73/75/963567375.db2.gz CVUXYTORJDRRFY-CABCVRRESA-N 2 0 283.460 1.859 10 0 CDAERP C[C@H](C[N@H+](C)CC1CC(F)(F)C1)NC(=O)CC[NH+](C)C ZINC001439360690 963736293 /nfs/dbraw/zinc/73/62/93/963736293.db2.gz FLQJKCWRCCEJKK-LLVKDONJSA-N 2 0 291.386 1.420 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001439530719 963789549 /nfs/dbraw/zinc/78/95/49/963789549.db2.gz RQXOAQRUBZGHCL-ZFWWWQNUSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@@H](C)C[NH2+]C1(CNC(=O)Cn2ccnc2C)CC1 ZINC001439672595 963835539 /nfs/dbraw/zinc/83/55/39/963835539.db2.gz ULYYQLLTWRYSMC-GFCCVEGCSA-N 2 0 278.400 1.476 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001440362371 963998885 /nfs/dbraw/zinc/99/88/85/963998885.db2.gz NHDCLJYHGBICBV-XQLPTFJDSA-N 2 0 281.444 1.469 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC[NH+]2CCCCC2)C1 ZINC001441351761 964469268 /nfs/dbraw/zinc/46/92/68/964469268.db2.gz ZQRUXQNWTOUOHQ-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001441360893 964476340 /nfs/dbraw/zinc/47/63/40/964476340.db2.gz PDBVYOSMRPBKJN-CABCVRRESA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]C/C=C\Cl)C1)[NH+]1CCCC1 ZINC001441399212 964497150 /nfs/dbraw/zinc/49/71/50/964497150.db2.gz LMBKMRBIOTVWGH-BJBUZPRDSA-N 2 0 299.846 1.850 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]([NH2+]C/C=C\Cl)C2)C1 ZINC001441422002 964508472 /nfs/dbraw/zinc/50/84/72/964508472.db2.gz YCBSULVDZAXZRF-ROWREWPHSA-N 2 0 285.819 1.318 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccc(F)cn1)[NH+](C)C ZINC001441847212 964746406 /nfs/dbraw/zinc/74/64/06/964746406.db2.gz BXVJZOAPGGZNQF-BXUZGUMPSA-N 2 0 296.390 1.155 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)CC1CC(C)(C)C1 ZINC001442489159 965090452 /nfs/dbraw/zinc/09/04/52/965090452.db2.gz PQCMRRKPWOWQSO-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1CC[C@H]1CCCO1 ZINC001442800069 965223999 /nfs/dbraw/zinc/22/39/99/965223999.db2.gz KZLQXUNRLXPMRK-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC(C)C ZINC001443677320 965555788 /nfs/dbraw/zinc/55/57/88/965555788.db2.gz UFXKHQQNAIZHBH-GJZGRUSLSA-N 2 0 281.444 1.659 10 0 CDAERP CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)[NH2+]Cc1cnc(C)o1 ZINC001443944876 965676524 /nfs/dbraw/zinc/67/65/24/965676524.db2.gz PAIHXPMOSPNTOC-TZMCWYRMSA-N 2 0 296.415 1.308 10 0 CDAERP CC[C@H](C)C[NH2+][C@@H](CC)CNC(=O)C12CC[NH+](CC1)C2 ZINC001444028165 965715014 /nfs/dbraw/zinc/71/50/14/965715014.db2.gz GEBJFRYPNMQFPI-KBPBESRZSA-N 2 0 281.444 1.613 10 0 CDAERP CC[NH2+]CC1(NC(=O)[C@H]2C[NH+]3CCC2CC3)CCCC1 ZINC001444061992 965724788 /nfs/dbraw/zinc/72/47/88/965724788.db2.gz OUTHVIBCIXJURU-AWEZNQCLSA-N 2 0 279.428 1.367 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1CC[N@@H+]1CC1CC1 ZINC001446066116 966435909 /nfs/dbraw/zinc/43/59/09/966435909.db2.gz XEVCWXVEJMPAEY-KBPBESRZSA-N 2 0 285.407 1.267 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001446552527 966579863 /nfs/dbraw/zinc/57/98/63/966579863.db2.gz CCAMSDMHFACWBO-JSGCOSHPSA-N 2 0 273.396 1.267 10 0 CDAERP CCC[NH2+]CCN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC001350958556 966810938 /nfs/dbraw/zinc/81/09/38/966810938.db2.gz UIIKQMLISHASNE-CABCVRRESA-N 2 0 253.434 1.744 10 0 CDAERP C[C@@H]([NH2+]CCF)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001447872178 966911105 /nfs/dbraw/zinc/91/11/05/966911105.db2.gz FGKSCQUNFBUVDS-NEPJUHHUSA-N 2 0 271.380 1.067 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1[N@H+](CC1CC1)CC2 ZINC001449006796 967331920 /nfs/dbraw/zinc/33/19/20/967331920.db2.gz GRRCCBOIGPTARW-WBVHZDCISA-N 2 0 293.455 1.851 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N[C@]2(C)C[NH+]3CCC2CC3)C1 ZINC001453168000 968256805 /nfs/dbraw/zinc/25/68/05/968256805.db2.gz UQAKWFNQSRXIEY-FRFSOERESA-N 2 0 293.455 1.707 10 0 CDAERP Cn1cc([C@H]2CCC[N@H+](CC[C@H]3CCC[NH+]3C)C2)nn1 ZINC001460946928 969570833 /nfs/dbraw/zinc/57/08/33/969570833.db2.gz QYPIWINTEFUEQR-UONOGXRCSA-N 2 0 277.416 1.479 10 0 CDAERP COCCN(CC[NH+](C)C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001464996113 969838048 /nfs/dbraw/zinc/83/80/48/969838048.db2.gz RYFBCPYXNNSEOR-GJZGRUSLSA-N 2 0 299.459 1.143 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CC[C@@H]2C[C@H](C)C[NH+]2C1 ZINC001361741072 970482077 /nfs/dbraw/zinc/48/20/77/970482077.db2.gz GJBYUDDBKONQGR-CAOSSQGBSA-N 2 0 295.471 1.953 10 0 CDAERP C[N@H+](CCNC(=O)CC[NH+]1CC[C@H](F)C1)C1CCCCC1 ZINC001361988243 970745915 /nfs/dbraw/zinc/74/59/15/970745915.db2.gz WHRDLYZIEBVRKU-AWEZNQCLSA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001371630010 972571399 /nfs/dbraw/zinc/57/13/99/972571399.db2.gz JDSXRWSOFDADLF-CABCVRRESA-N 2 0 281.444 1.422 10 0 CDAERP CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC001496572841 972976190 /nfs/dbraw/zinc/97/61/90/972976190.db2.gz DQHTXNJGSJSVJP-KBPBESRZSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CCC1CC1)[NH+](C)C ZINC001372531523 973003132 /nfs/dbraw/zinc/00/31/32/973003132.db2.gz VSUWBTXTMVWXLB-CVEARBPZSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]C/C=C/Cl ZINC001496641432 973007793 /nfs/dbraw/zinc/00/77/93/973007793.db2.gz FXXJNDYIRDLXOQ-URWSZGRFSA-N 2 0 287.835 1.565 10 0 CDAERP CCC[NH2+][C@@H](C)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001373007138 973222625 /nfs/dbraw/zinc/22/26/25/973222625.db2.gz LOXSRGBEXAXSLC-LSDHHAIUSA-N 2 0 295.471 1.955 10 0 CDAERP CC[NH2+]CC[C@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001497238595 973255922 /nfs/dbraw/zinc/25/59/22/973255922.db2.gz QDZWXNDOGSWNEO-AWEZNQCLSA-N 2 0 291.439 1.909 10 0 CDAERP Cc1noc(C)c1C[NH2+]CC[C@H](C)NC(=O)CC[NH+](C)C ZINC001497264356 973268431 /nfs/dbraw/zinc/26/84/31/973268431.db2.gz QXEMAMFZBKFHBJ-NSHDSACASA-N 2 0 296.415 1.228 10 0 CDAERP CCN(CC[NH2+]CC1CC1)C(=O)C1(C[NH+](C)C)CC1 ZINC001497442389 973349926 /nfs/dbraw/zinc/34/99/26/973349926.db2.gz SHEQTDPDIACWRZ-UHFFFAOYSA-N 2 0 267.417 1.176 10 0 CDAERP CC[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001497581077 973419371 /nfs/dbraw/zinc/41/93/71/973419371.db2.gz ZZHCNBOHXCRNHM-URWSZGRFSA-N 2 0 253.390 1.141 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC[C@@H](C)F)C1 ZINC001373614055 973519252 /nfs/dbraw/zinc/51/92/52/973519252.db2.gz VTSYAHNERZDPPV-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001418057544 973559277 /nfs/dbraw/zinc/55/92/77/973559277.db2.gz JQWDRUBCCKIYCX-TUVASFSCSA-N 2 0 297.418 1.313 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001418063083 973561194 /nfs/dbraw/zinc/56/11/94/973561194.db2.gz IQAPMTPMBKSNCV-MGPQQGTHSA-N 2 0 299.434 1.846 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1cncs1 ZINC001418223397 973677038 /nfs/dbraw/zinc/67/70/38/973677038.db2.gz AYCJGMVQMCCKSI-NQBHXWOUSA-N 2 0 296.440 1.078 10 0 CDAERP C[C@@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001498159601 973719293 /nfs/dbraw/zinc/71/92/93/973719293.db2.gz HDDWFMHWUCLHRV-UONOGXRCSA-N 2 0 295.471 1.859 10 0 CDAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC1CCCCC1 ZINC001418320706 973747687 /nfs/dbraw/zinc/74/76/87/973747687.db2.gz VRHDQPFFSYCAEE-AWEZNQCLSA-N 2 0 281.444 1.757 10 0 CDAERP CC(C)CC[N@H+](C)CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001374493727 973982010 /nfs/dbraw/zinc/98/20/10/973982010.db2.gz YGWSVAYMDTUIGH-MRXNPFEDSA-N 2 0 295.471 1.765 10 0 CDAERP CC(C)C[NH2+]CCCN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001498559590 973982441 /nfs/dbraw/zinc/98/24/41/973982441.db2.gz JMWACMZPFRCJIK-UHFFFAOYSA-N 2 0 269.433 1.565 10 0 CDAERP Cc1cccnc1C[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001374849085 974147835 /nfs/dbraw/zinc/14/78/35/974147835.db2.gz KHRMDRMVGLKPJU-CQSZACIVSA-N 2 0 292.427 1.325 10 0 CDAERP COCCC[N@@H+]1CC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001499127519 974191917 /nfs/dbraw/zinc/19/19/17/974191917.db2.gz NGGPGPSPDLXMJV-HNNXBMFYSA-N 2 0 297.443 1.089 10 0 CDAERP Cc1ncccc1C[NH2+]C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001374975593 974196903 /nfs/dbraw/zinc/19/69/03/974196903.db2.gz CFWSADQSWCXTFU-ZDUSSCGKSA-N 2 0 290.411 1.080 10 0 CDAERP C[C@@H]1[C@H](C)N(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1C ZINC001546269458 974254043 /nfs/dbraw/zinc/25/40/43/974254043.db2.gz UWJSCTLOXVVIMA-CRWXNKLISA-N 2 0 267.417 1.268 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001375273835 974310073 /nfs/dbraw/zinc/31/00/73/974310073.db2.gz TUXLYASWHVBUIR-UKRRQHHQSA-N 2 0 293.455 1.613 10 0 CDAERP CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CCF)[NH+](CC)CC ZINC001499926608 974337726 /nfs/dbraw/zinc/33/77/26/974337726.db2.gz MWWMDJUVXFZASJ-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](CC)[NH+](CC)CC ZINC001499926673 974338082 /nfs/dbraw/zinc/33/80/82/974338082.db2.gz PPLISHXPBNAYFR-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)CC ZINC001375480379 974400515 /nfs/dbraw/zinc/40/05/15/974400515.db2.gz XBMVYCQQVUSUFA-CABCVRRESA-N 2 0 283.460 1.907 10 0 CDAERP CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001500358694 974427051 /nfs/dbraw/zinc/42/70/51/974427051.db2.gz WPSFFYJUVHZLQZ-HIFRSBDPSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001375634670 974440605 /nfs/dbraw/zinc/44/06/05/974440605.db2.gz VXGPYSQVQXMTJP-ZNMIVQPWSA-N 2 0 299.434 1.467 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@]2(CC[NH+](CCCF)C2)C1 ZINC001375640971 974441426 /nfs/dbraw/zinc/44/14/26/974441426.db2.gz HDANCZHECTYLOI-MRXNPFEDSA-N 2 0 299.434 1.611 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CCC[N@H+](CCCF)C1)[NH+](C)C ZINC001376063079 974550474 /nfs/dbraw/zinc/55/04/74/974550474.db2.gz UBBARZHBEXPRDD-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001376062564 974550829 /nfs/dbraw/zinc/55/08/29/974550829.db2.gz PQCKBAUDSJFNKC-ZIAGYGMSSA-N 2 0 287.423 1.655 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CC=C(C)C)C[C@@H]2C1 ZINC001501238481 974552216 /nfs/dbraw/zinc/55/22/16/974552216.db2.gz RDNQPRKUDQMOHZ-IYBDPMFKSA-N 2 0 293.455 1.685 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001376127291 974573004 /nfs/dbraw/zinc/57/30/04/974573004.db2.gz GMQWYQQTTMMFFF-LSDHHAIUSA-N 2 0 299.434 1.657 10 0 CDAERP COCC[N@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001502367457 974725345 /nfs/dbraw/zinc/72/53/45/974725345.db2.gz IIAMHQKSPIIXLA-GJZGRUSLSA-N 2 0 299.459 1.143 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]CC1CC1 ZINC001377028308 974861473 /nfs/dbraw/zinc/86/14/73/974861473.db2.gz RSHMFTITMFEHKG-DZGCQCFKSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)[C@@H](C(=O)NCC[N@H+](C)CC1CCC1)[NH+]1CCCC1 ZINC001377277659 974955378 /nfs/dbraw/zinc/95/53/78/974955378.db2.gz UTZHXEHSRVUYOC-INIZCTEOSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@H+](CCNC(=O)C1([NH+](C)C)CCC1)CCC(C)C ZINC001377312328 974970734 /nfs/dbraw/zinc/97/07/34/974970734.db2.gz VYKGEXJELTXALQ-UHFFFAOYSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]CCF)CC1 ZINC001505724546 974972760 /nfs/dbraw/zinc/97/27/60/974972760.db2.gz JOAPTSJNOGZAPW-STQMWFEESA-N 2 0 287.423 1.559 10 0 CDAERP CCCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001505754546 974982710 /nfs/dbraw/zinc/98/27/10/974982710.db2.gz UREXKEBPHPYKCG-QWHCGFSZSA-N 2 0 255.406 1.365 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC([C@H](C)[NH2+]CC2CC2)CC1 ZINC001377616026 975088691 /nfs/dbraw/zinc/08/86/91/975088691.db2.gz ZJYURFHVZKWVTC-AWEZNQCLSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[N@H+](C)CCCO ZINC001378151138 975261510 /nfs/dbraw/zinc/26/15/10/975261510.db2.gz HWCIQUSJDILYFV-HUUCEWRRSA-N 2 0 299.459 1.070 10 0 CDAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)N(C)C/C=C\Cl ZINC001378180468 975273286 /nfs/dbraw/zinc/27/32/86/975273286.db2.gz DTFCYRHGASRWFJ-GCLPIYDQSA-N 2 0 285.819 1.271 10 0 CDAERP CC(C)[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001507034612 975301281 /nfs/dbraw/zinc/30/12/81/975301281.db2.gz SSXPMFUNSLSQKQ-HIFRSBDPSA-N 2 0 281.444 1.563 10 0 CDAERP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccsc1 ZINC001378306173 975325713 /nfs/dbraw/zinc/32/57/13/975325713.db2.gz UVIJXBJYUVUOJE-UONOGXRCSA-N 2 0 295.452 1.827 10 0 CDAERP CC(C)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H]1C ZINC001507298116 975404006 /nfs/dbraw/zinc/40/40/06/975404006.db2.gz PMSVZFKHPUQHNQ-UONOGXRCSA-N 2 0 269.433 1.562 10 0 CDAERP CC(C)[NH2+]C[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001378631665 975423805 /nfs/dbraw/zinc/42/38/05/975423805.db2.gz HMCTYHJQGCXINE-LSDHHAIUSA-N 2 0 283.460 1.857 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001397081097 975455273 /nfs/dbraw/zinc/45/52/73/975455273.db2.gz MQFJMDMWRZRUDM-OAGGEKHMSA-N 2 0 295.471 1.859 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+][C@H](C)COC)C(C)(C)C1 ZINC001507451284 975474308 /nfs/dbraw/zinc/47/43/08/975474308.db2.gz ONHZYUWSRWVVHZ-KGLIPLIRSA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001388736813 975575248 /nfs/dbraw/zinc/57/52/48/975575248.db2.gz RXLZKWXRYVUVOA-VGWMRTNUSA-N 2 0 295.471 1.859 10 0 CDAERP CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001379018256 975601074 /nfs/dbraw/zinc/60/10/74/975601074.db2.gz DWRWHPNDIMOWKU-GJZGRUSLSA-N 2 0 281.444 1.707 10 0 CDAERP CN(CC[N@H+](C)CC1CC(C)(C)C1)C(=O)[C@H]1CCC[NH+]1C ZINC001379029720 975606397 /nfs/dbraw/zinc/60/63/97/975606397.db2.gz BAYLLEMVOXMRIL-OAHLLOKOSA-N 2 0 295.471 1.907 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CC[C@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001405108059 975627127 /nfs/dbraw/zinc/62/71/27/975627127.db2.gz FNPHFGJWAPAKJB-KGLIPLIRSA-N 2 0 299.434 1.609 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@@H](N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001405116186 975631332 /nfs/dbraw/zinc/63/13/32/975631332.db2.gz HMGNHIWQYVFGCS-UONOGXRCSA-N 2 0 299.434 1.752 10 0 CDAERP Cc1cc(C[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+](C)C)cs1 ZINC001405857002 975911720 /nfs/dbraw/zinc/91/17/20/975911720.db2.gz UZNWWFRBZFNNLF-GFCCVEGCSA-N 2 0 297.468 1.945 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]([NH2+]C/C=C\Cl)C1CC1)[NH+](C)C ZINC001398397715 975971415 /nfs/dbraw/zinc/97/14/15/975971415.db2.gz QFULGJXKTICCQI-UYMHTNOESA-N 2 0 287.835 1.564 10 0 CDAERP CCCC[N@@H+]1CC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001401893366 975982050 /nfs/dbraw/zinc/98/20/50/975982050.db2.gz WBFLCCJQELRBOI-LSDHHAIUSA-N 2 0 281.444 1.851 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001389859142 976022290 /nfs/dbraw/zinc/02/22/90/976022290.db2.gz IJXKUFDYIOCFBN-AJNGGQMLSA-N 2 0 299.434 1.846 10 0 CDAERP COC[C@H](C)[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001401944854 976032929 /nfs/dbraw/zinc/03/29/29/976032929.db2.gz NMMGDQATPVXQOL-UONOGXRCSA-N 2 0 297.443 1.133 10 0 CDAERP CC(C)C[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001401944872 976034087 /nfs/dbraw/zinc/03/40/87/976034087.db2.gz OFKLENVEWNCGRO-CQSZACIVSA-N 2 0 279.428 1.223 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC[C@@H](C)F)C1 ZINC001390003259 976080546 /nfs/dbraw/zinc/08/05/46/976080546.db2.gz GMTZDAWRCRDBPE-UPJWGTAASA-N 2 0 273.396 1.313 10 0 CDAERP CC[C@H](F)C[N@@H+]1CCC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001390066726 976110331 /nfs/dbraw/zinc/11/03/31/976110331.db2.gz VLAIUOFFMKVDEK-GJZGRUSLSA-N 2 0 299.434 1.659 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC2(C)CC[NH+](CCCF)CC2)C1 ZINC001402093266 976118918 /nfs/dbraw/zinc/11/89/18/976118918.db2.gz WTRQNHKTBOSWEV-AWEZNQCLSA-N 2 0 299.434 1.659 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001398759011 976140518 /nfs/dbraw/zinc/14/05/18/976140518.db2.gz QFGSSWNOLAEMQV-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC[C@H](C)F)C[C@H]21)[NH+](C)C ZINC001390244528 976184022 /nfs/dbraw/zinc/18/40/22/976184022.db2.gz NRIVRZZBDWXWSW-ODXJTPSBSA-N 2 0 285.407 1.121 10 0 CDAERP C[C@@H](F)CC[NH2+][C@@H](CNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001402307493 976230360 /nfs/dbraw/zinc/23/03/60/976230360.db2.gz FULVMUZTVVPOHM-OCCSQVGLSA-N 2 0 299.434 1.703 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1cncs1)[NH+](C)C ZINC001398972835 976273197 /nfs/dbraw/zinc/27/31/97/976273197.db2.gz IWYXTKJYTDVGNR-ZYHUDNBSSA-N 2 0 284.429 1.078 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CCC1CC1 ZINC001398971271 976273245 /nfs/dbraw/zinc/27/32/45/976273245.db2.gz ZGCPNGUXETWLPY-DZGCQCFKSA-N 2 0 281.444 1.755 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH2+]CC(C)C)C1 ZINC001390459439 976304375 /nfs/dbraw/zinc/30/43/75/976304375.db2.gz PQAVQCHDLUYSDM-CABCVRRESA-N 2 0 283.460 1.859 10 0 CDAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CCC(C)(C)C ZINC001390487550 976327151 /nfs/dbraw/zinc/32/71/51/976327151.db2.gz XTOVHQJTFCCVNI-KBPBESRZSA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)CC[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001406661046 976342916 /nfs/dbraw/zinc/34/29/16/976342916.db2.gz GEUVNPKBKIBUPG-LSDHHAIUSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001390551282 976364396 /nfs/dbraw/zinc/36/43/96/976364396.db2.gz LOLMGGXECOJYHF-OLZOCXBDSA-N 2 0 285.407 1.409 10 0 CDAERP CC[NH2+]C[C@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001390584333 976377389 /nfs/dbraw/zinc/37/73/89/976377389.db2.gz DKJVGKYPTAEFSR-OLZOCXBDSA-N 2 0 273.396 1.124 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001399241018 976392507 /nfs/dbraw/zinc/39/25/07/976392507.db2.gz LHERIBSXXFZZSY-STQMWFEESA-N 2 0 273.396 1.124 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001399244366 976393416 /nfs/dbraw/zinc/39/34/16/976393416.db2.gz ZTONIYLONOOZIE-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC1CCC1)C1CC1 ZINC001406765552 976399556 /nfs/dbraw/zinc/39/95/56/976399556.db2.gz HKFHKIMKTVZLOG-JKSUJKDBSA-N 2 0 293.455 1.755 10 0 CDAERP CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001380407786 976410668 /nfs/dbraw/zinc/41/06/68/976410668.db2.gz ABBVYRPOFAPSGU-HOTGVXAUSA-N 2 0 279.428 1.320 10 0 CDAERP Cc1ncc(CN(C)CCNC(=O)[C@H]2CCC[N@@H+]2C)s1 ZINC001390739497 976472249 /nfs/dbraw/zinc/47/22/49/976472249.db2.gz AXRLFHJECXZCEE-CYBMUJFWSA-N 2 0 296.440 1.094 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)C[C@@H](C)CC ZINC001399490236 976523400 /nfs/dbraw/zinc/52/34/00/976523400.db2.gz RLDGDGNPYIGVMB-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CC[NH+]1CCC2(CN(C(=O)C[N@H+](C)CC(C)(C)C)C2)CC1 ZINC001380802307 976554903 /nfs/dbraw/zinc/55/49/03/976554903.db2.gz FOHZIIXZLKYZRJ-UHFFFAOYSA-N 2 0 295.471 1.909 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CC[C@H](C)F ZINC001390958032 976621123 /nfs/dbraw/zinc/62/11/23/976621123.db2.gz OBACEXWSNSFMME-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]CC2CC2)C1 ZINC001407540057 976692614 /nfs/dbraw/zinc/69/26/14/976692614.db2.gz RLFWTSWNXZUVAL-DZGCQCFKSA-N 2 0 281.444 1.421 10 0 CDAERP CCC[N@H+](CCNC(=O)CC[C@@H]1CCC[NH+]1C)C1CC1 ZINC001391164256 976740930 /nfs/dbraw/zinc/74/09/30/976740930.db2.gz KSUDZCPGHANBIQ-AWEZNQCLSA-N 2 0 281.444 1.851 10 0 CDAERP CCC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)CCC(C)C ZINC001399968867 976780817 /nfs/dbraw/zinc/78/08/17/976780817.db2.gz BZMYIJKBPPVYNL-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CCC1([NH2+]CCF)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001407994014 976863363 /nfs/dbraw/zinc/86/33/63/976863363.db2.gz DELKQHYRGSBLOM-CQSZACIVSA-N 2 0 299.434 1.659 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H](C)C1C[NH+](CC[C@@H](C)F)C1 ZINC001403328893 976884638 /nfs/dbraw/zinc/88/46/38/976884638.db2.gz NPVHZHMCCHVQSJ-OLZOCXBDSA-N 2 0 287.423 1.513 10 0 CDAERP C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1C[NH+](CC2CC2)C1 ZINC001403341946 976896039 /nfs/dbraw/zinc/89/60/39/976896039.db2.gz YQYFBBADMNTIQQ-OCCSQVGLSA-N 2 0 279.428 1.175 10 0 CDAERP CC(C)CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001391535759 976941089 /nfs/dbraw/zinc/94/10/89/976941089.db2.gz ILRCAVUTORZVNF-GJZGRUSLSA-N 2 0 281.444 1.659 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1CCC[NH+](CCCF)C1 ZINC001400295548 976973626 /nfs/dbraw/zinc/97/36/26/976973626.db2.gz MAJUYGXKXFANTC-LSDHHAIUSA-N 2 0 299.434 1.801 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001408333408 977012637 /nfs/dbraw/zinc/01/26/37/977012637.db2.gz KEJRIHVLTVCXEM-LSDHHAIUSA-N 2 0 281.444 1.661 10 0 CDAERP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCC(C)(C)C ZINC001403527137 977031006 /nfs/dbraw/zinc/03/10/06/977031006.db2.gz NZVVAOZUIZUAGX-KGLIPLIRSA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC1CC(C)(C)C1 ZINC001391749733 977082383 /nfs/dbraw/zinc/08/23/83/977082383.db2.gz ZXUDURCCAZPPLQ-GJZGRUSLSA-N 2 0 295.471 1.859 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@](C)(C[NH2+]CC1CC1)C1CC1 ZINC001391790717 977098905 /nfs/dbraw/zinc/09/89/05/977098905.db2.gz WVTFSLLLRLWLTI-GOEBONIOSA-N 2 0 279.428 1.365 10 0 CDAERP CC(C)C[NH2+]C[C@H](C)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001392073963 977211631 /nfs/dbraw/zinc/21/16/31/977211631.db2.gz IQYUKYQRAVONKX-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@]12CCC[C@H]1[NH+](CC1CC1)CC2 ZINC001382324528 977252945 /nfs/dbraw/zinc/25/29/45/977252945.db2.gz AULJBJVCCRUGMG-NVXWUHKLSA-N 2 0 293.455 1.851 10 0 CDAERP CCC[N@H+](C)CCN(C(=O)C1(C[NH+](C)C)CC1)C(C)C ZINC001403948606 977278769 /nfs/dbraw/zinc/27/87/69/977278769.db2.gz ZSJXFHILULGFCF-UHFFFAOYSA-N 2 0 283.460 1.907 10 0 CDAERP CC(C)(C)[C@H](C[NH2+]CC1CC1)NC(=O)C[NH+]1CCCC1 ZINC001403972607 977291679 /nfs/dbraw/zinc/29/16/79/977291679.db2.gz JMDKSSMNQFFHLU-AWEZNQCLSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@H](CN(C)Cc1cncs1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001392636336 977519092 /nfs/dbraw/zinc/51/90/92/977519092.db2.gz GPDIEOYBYAAERT-YPMHNXCESA-N 2 0 296.440 1.174 10 0 CDAERP C[C@@H](C[N@H+](C)Cc1ccccn1)NC(=O)C[NH+]1CCCC1 ZINC001392720466 977568121 /nfs/dbraw/zinc/56/81/21/977568121.db2.gz CRPCLMQWMDOJIR-AWEZNQCLSA-N 2 0 290.411 1.114 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CC[NH+]2CC2CCCC2)C1 ZINC001392876420 977634383 /nfs/dbraw/zinc/63/43/83/977634383.db2.gz XAUXYMPLNAHEGB-HZPDHXFCSA-N 2 0 293.455 1.709 10 0 CDAERP C[C@H](F)CC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001393565625 977838209 /nfs/dbraw/zinc/83/82/09/977838209.db2.gz HIFOJQXQDIUSOD-KBPBESRZSA-N 2 0 299.434 1.705 10 0 CDAERP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1CC([NH2+]C/C=C/Cl)C1 ZINC001394853576 978284562 /nfs/dbraw/zinc/28/45/62/978284562.db2.gz HOPVDAMOUUNCPS-RRHUYRLJSA-N 2 0 299.846 1.802 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)C(C)C ZINC001674937471 1174037391 /nfs/dbraw/zinc/03/73/91/1174037391.db2.gz GJNAQPZAPWDFHZ-ZIAGYGMSSA-N 2 0 269.433 1.706 10 0 CDAERP CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001676215567 1174193228 /nfs/dbraw/zinc/19/32/28/1174193228.db2.gz NPNPIBUSZBSYCT-BPLDGKMQSA-N 2 0 281.444 1.563 10 0 CDAERP C[NH+](C)CCCCC(=O)NC[C@@H]1CCCCC[N@@H+]1CCO ZINC001570827514 1170291030 /nfs/dbraw/zinc/29/10/30/1170291030.db2.gz SQSDPBDJJYZLIO-HNNXBMFYSA-N 2 0 299.459 1.071 10 0 CDAERP CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001571590899 1170484962 /nfs/dbraw/zinc/48/49/62/1170484962.db2.gz CHUUUNRQPDKHFZ-GJZGRUSLSA-N 2 0 299.459 1.068 10 0 CDAERP CC(C)(C)[C@@H](C[NH2+]CCF)NC(=O)C[NH+]1CCCC1 ZINC001571637783 1170504409 /nfs/dbraw/zinc/50/44/09/1170504409.db2.gz COQVLGBDBJKPCA-GFCCVEGCSA-N 2 0 273.396 1.172 10 0 CDAERP CCN(C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)[C@H]1CC[N@H+](CC)C1 ZINC000617928567 342480673 /nfs/dbraw/zinc/48/06/73/342480673.db2.gz RLBIZPJCEKYATI-KKUMJFAQSA-N 2 0 281.444 1.802 10 0 CDAERP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000247318744 343979237 /nfs/dbraw/zinc/97/92/37/343979237.db2.gz SEJCBDUSAZLQSU-WUHRBBMRSA-N 2 0 253.390 1.090 10 0 CDAERP C[C@@H](CNC(=O)N[C@@H]1CCC[N@H+](C)C1)[NH+]1CCC[C@@H](C)C1 ZINC000618554879 349481978 /nfs/dbraw/zinc/48/19/78/349481978.db2.gz KGXHSQBWYXTGEO-QLFBSQMISA-N 2 0 296.459 1.500 10 0 CDAERP [NH3+]CC1(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000650713769 398156334 /nfs/dbraw/zinc/15/63/34/398156334.db2.gz BDFQNFVVMMKNCK-MJBXVCDLSA-N 3 0 251.418 1.626 10 0 CDAERP CC(C)C[N@H+](C)CCCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000650741052 398171723 /nfs/dbraw/zinc/17/17/23/398171723.db2.gz WYCYGLPMZOSIJH-HUUCEWRRSA-N 2 0 255.450 1.942 10 0 CDAERP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000650755618 398180007 /nfs/dbraw/zinc/18/00/07/398180007.db2.gz IZUYASRHXIEXGX-CQSZACIVSA-N 2 0 275.396 1.553 10 0 CDAERP CC[C@@H](Cn1cncn1)[NH2+]CCC1CC[NH2+]CC1 ZINC000650763049 398184468 /nfs/dbraw/zinc/18/44/68/398184468.db2.gz PORJSPJJEOPDCP-ZDUSSCGKSA-N 2 0 251.378 1.036 10 0 CDAERP CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@@H](CC[NH3+])CC1 ZINC000616601339 361784769 /nfs/dbraw/zinc/78/47/69/361784769.db2.gz OEBCFEOFWJFTQE-ZDUSSCGKSA-N 2 0 285.432 1.962 10 0 CDAERP CN(CC1C[NH+](C)C1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000618194048 342141282 /nfs/dbraw/zinc/14/12/82/342141282.db2.gz NUOTYBQJVREARU-UHFFFAOYSA-N 2 0 275.396 1.382 10 0 CDAERP COc1cc(C)c(C[NH2+]CCOCCC[NH3+])cc1OC ZINC000629399071 361930087 /nfs/dbraw/zinc/93/00/87/361930087.db2.gz CEZNTPWQHNCSRL-UHFFFAOYSA-N 2 0 282.384 1.467 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000629405875 361943900 /nfs/dbraw/zinc/94/39/00/361943900.db2.gz WJPWRKYAWIRXHU-RDJZCZTQSA-N 2 0 291.439 1.475 10 0 CDAERP COC(=O)CCCC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000600709791 342243598 /nfs/dbraw/zinc/24/35/98/342243598.db2.gz JHOOFPGBKKCZJO-KGLIPLIRSA-N 2 0 268.401 1.794 10 0 CDAERP COC(=O)c1cc(C[NH2+]CC2CC[NH+](C)CC2)c(C)o1 ZINC000594613494 342927593 /nfs/dbraw/zinc/92/75/93/342927593.db2.gz JNPQMHWHSSTNIG-UHFFFAOYSA-N 2 0 280.368 1.806 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)NCCC[NH+](C)C)CC1 ZINC000623687795 349755577 /nfs/dbraw/zinc/75/55/77/349755577.db2.gz QZLFZJFYTFBCFG-UHFFFAOYSA-N 2 0 284.448 1.359 10 0 CDAERP C[NH+](C)C[C@@H]1CCCCN1C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000405055912 349779308 /nfs/dbraw/zinc/77/93/08/349779308.db2.gz YGMSDKWVFBHWEH-KBPBESRZSA-N 2 0 267.417 1.319 10 0 CDAERP [NH3+]CC1(CC(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)CC1 ZINC000645108312 362121746 /nfs/dbraw/zinc/12/17/46/362121746.db2.gz WUEGKUFIVVSEKK-OLZOCXBDSA-N 2 0 265.401 1.106 10 0 CDAERP [NH3+]CC1(CC(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)CC1 ZINC000645108311 362121883 /nfs/dbraw/zinc/12/18/83/362121883.db2.gz WUEGKUFIVVSEKK-CHWSQXEVSA-N 2 0 265.401 1.106 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc(OC)cc1OC ZINC000629528862 362155641 /nfs/dbraw/zinc/15/56/41/362155641.db2.gz LNVIVDYGRXWWMG-LBPRGKRZSA-N 2 0 282.384 1.590 10 0 CDAERP CCO[C@H]1C[C@H]([NH2+]CCOCC[NH2+]C)C12CCCCC2 ZINC000629529628 362159118 /nfs/dbraw/zinc/15/91/18/362159118.db2.gz IXQXABQTIPXEAF-GJZGRUSLSA-N 2 0 284.444 1.940 10 0 CDAERP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CC[NH2+]C1CC1 ZINC000251873115 344059826 /nfs/dbraw/zinc/05/98/26/344059826.db2.gz UEXGZAGDXJZNSV-JSGCOSHPSA-N 2 0 265.401 1.214 10 0 CDAERP C[NH+](C)Cc1cccc(NC(=O)NC/C=C/C[NH3+])c1 ZINC000623059022 344282359 /nfs/dbraw/zinc/28/23/59/344282359.db2.gz OWJQTKHJISKAKW-ONEGZZNKSA-N 2 0 262.357 1.385 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000261577702 344683548 /nfs/dbraw/zinc/68/35/48/344683548.db2.gz OLYPDHSFYAADNQ-RYUDHWBXSA-N 2 0 253.390 1.104 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000262680764 344691493 /nfs/dbraw/zinc/69/14/93/344691493.db2.gz WVKBSQIYFICXLQ-XGUBFFRZSA-N 2 0 281.444 1.598 10 0 CDAERP CCN(C(=O)C1CC[NH+](C(C)C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000617554563 345849964 /nfs/dbraw/zinc/84/99/64/345849964.db2.gz FREZJGZWWZMXQR-HNNXBMFYSA-N 2 0 281.444 1.659 10 0 CDAERP C[C@H](CCNC(=O)CCN(C)c1cc[nH+]cc1)[NH+](C)C ZINC000617756369 345955435 /nfs/dbraw/zinc/95/54/35/345955435.db2.gz FULXBIDLYPDVBG-CYBMUJFWSA-N 2 0 278.400 1.364 10 0 CDAERP C[C@@H](CCNC(=O)c1ccc(C[NH+](C)C)nc1)[NH+](C)C ZINC000617760380 345959195 /nfs/dbraw/zinc/95/91/95/345959195.db2.gz ZFXAXYYBWBBLQS-LBPRGKRZSA-N 2 0 278.400 1.213 10 0 CDAERP CC(C)CC[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000053365438 346061190 /nfs/dbraw/zinc/06/11/90/346061190.db2.gz OWECEWKTWKQQNG-UHFFFAOYSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H](Cn1cncn1)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623382556 346117340 /nfs/dbraw/zinc/11/73/40/346117340.db2.gz KSDDVBUJCDZGCF-NEPJUHHUSA-N 2 0 251.378 1.129 10 0 CDAERP C[NH+](C)CCN(Cc1ccccc1)C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085367180 179037454 /nfs/dbraw/zinc/03/74/54/179037454.db2.gz NUGDKFUXMQSKHJ-HOTGVXAUSA-N 2 0 289.423 1.704 10 0 CDAERP C[N@@H+]1CCC[C@@H](n2c3c(nc2C2CC2)C[NH2+]CC3)C1 ZINC000085572145 179097584 /nfs/dbraw/zinc/09/75/84/179097584.db2.gz DSXFQYBLNVRFRY-GFCCVEGCSA-N 2 0 260.385 1.673 10 0 CDAERP CC(C)Cc1nc2c(n1C1CC[NH+](C)CC1)CC[NH2+]C2 ZINC000085569813 179096347 /nfs/dbraw/zinc/09/63/47/179096347.db2.gz JKZDUDRLRXAHAU-UHFFFAOYSA-N 2 0 276.428 1.994 10 0 CDAERP C[NH+]1CCC(Cn2c3c(nc2C2CC2)C[NH2+]CC3)CC1 ZINC000085573530 179099624 /nfs/dbraw/zinc/09/96/24/179099624.db2.gz VHXPGSPMRKJGGE-UHFFFAOYSA-N 2 0 274.412 1.748 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H](O)C2)CC1(C)C ZINC000623429173 346593416 /nfs/dbraw/zinc/59/34/16/346593416.db2.gz PUZQFKSKTUELPR-RDBSUJKOSA-N 2 0 254.418 2.000 10 0 CDAERP Cc1cc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)on1 ZINC000311870305 362795810 /nfs/dbraw/zinc/79/58/10/362795810.db2.gz LPHMNTMZGZAUFJ-UHFFFAOYSA-N 2 0 266.389 1.099 10 0 CDAERP CC[C@H](C)[C@H]1CN([C@@H]2CCC[N@H+](CC)C2)CC[NH2+]1 ZINC000086143092 179238063 /nfs/dbraw/zinc/23/80/63/179238063.db2.gz PINUPRUOANAOMG-RRFJBIMHSA-N 2 0 253.434 1.791 10 0 CDAERP CC[C@@H]1C[NH2+][C@@](C)(CC)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223126 179251937 /nfs/dbraw/zinc/25/19/37/179251937.db2.gz KUBRSLNCMZHRGI-KFWWJZLASA-N 2 0 253.434 1.791 10 0 CDAERP CC(C)[C@@H]1C[NH2+]C(C)(C)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086223952 179253423 /nfs/dbraw/zinc/25/34/23/179253423.db2.gz AOFWHTDBXADCDW-KGLIPLIRSA-N 2 0 253.434 1.789 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)CC1(C)C ZINC000623516994 347613849 /nfs/dbraw/zinc/61/38/49/347613849.db2.gz NOXKAVNDODHAHF-MJBXVCDLSA-N 2 0 286.460 1.607 10 0 CDAERP [NH3+]C/C=C\CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000641862445 365946674 /nfs/dbraw/zinc/94/66/74/365946674.db2.gz OGKSUBTYFBRERH-PYLYLYNFSA-N 2 0 280.416 1.161 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@]3(CC[NH+](C)C3)C2)CC[N@@H+]1C ZINC000615600373 348606562 /nfs/dbraw/zinc/60/65/62/348606562.db2.gz CDGCCCASCZBQBS-YQQAZPJKSA-N 2 0 293.455 1.661 10 0 CDAERP CC[N@H+](C)[C@@H](C(=O)N(C)CC1C[NH+](C)C1)c1ccccc1 ZINC000618193963 349397756 /nfs/dbraw/zinc/39/77/56/349397756.db2.gz KKYCGQRXGUXPGA-MRXNPFEDSA-N 2 0 289.423 1.699 10 0 CDAERP CC[C@H](Cn1cncn1)[NH2+]CCc1ccncc1C ZINC000353266998 362949063 /nfs/dbraw/zinc/94/90/63/362949063.db2.gz KNNGEEBQBMQXFL-CQSZACIVSA-N 2 0 259.357 1.592 10 0 CDAERP CC[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H](C)[NH2+]1 ZINC000620899908 350370638 /nfs/dbraw/zinc/37/06/38/350370638.db2.gz VGVNHIHEGQHTGD-UONOGXRCSA-N 2 0 290.411 1.507 10 0 CDAERP COc1cncc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000629543464 362962379 /nfs/dbraw/zinc/96/23/79/362962379.db2.gz CAABJSLCRZDVAW-CQSZACIVSA-N 2 0 290.411 1.697 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000629545697 362970766 /nfs/dbraw/zinc/97/07/66/362970766.db2.gz MMBAQHKXVBHSAL-DPAVQSFQSA-N 2 0 287.407 1.582 10 0 CDAERP C[NH+](C)C1(CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CCCC1 ZINC000110374477 186294777 /nfs/dbraw/zinc/29/47/77/186294777.db2.gz AQLMUQOVMFVZPW-ILXRZTDVSA-N 2 0 293.455 1.898 10 0 CDAERP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000629554294 362982050 /nfs/dbraw/zinc/98/20/50/362982050.db2.gz HKPLWDYMGIXPDL-AIEDFZFUSA-N 2 0 252.402 1.922 10 0 CDAERP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC[NH2+]1 ZINC000414706535 366008314 /nfs/dbraw/zinc/00/83/14/366008314.db2.gz YCVJLRIYDDXOGK-PMPSAXMXSA-N 2 0 293.455 1.709 10 0 CDAERP Cn1cnc(CC[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000313261865 350825448 /nfs/dbraw/zinc/82/54/48/350825448.db2.gz JYQISEKBJZDNNG-CABCVRRESA-N 2 0 256.353 1.697 10 0 CDAERP [NH3+]CC1CCC([NH2+][C@@H]2CCN(C3CCC3)C2=O)CC1 ZINC000629556561 362994179 /nfs/dbraw/zinc/99/41/79/362994179.db2.gz SJVGDMLNVCERNQ-ORHYLEIMSA-N 2 0 265.401 1.247 10 0 CDAERP C[C@@H](CNc1ccnc(C2CC2)n1)CN1CCOCC1 ZINC000150919831 363026310 /nfs/dbraw/zinc/02/63/10/363026310.db2.gz RAXRBIOJCTUPLF-LBPRGKRZSA-N 2 0 276.384 1.734 10 0 CDAERP C[N@@H+]1CCCC[C@H](C[NH2+][C@H]2CCC(=O)NC2(C)C)C1 ZINC000624123721 351429275 /nfs/dbraw/zinc/42/92/75/351429275.db2.gz RKZGLXSPPAYESH-OLZOCXBDSA-N 2 0 267.417 1.365 10 0 CDAERP [NH3+][C@H]1CC=C(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC000637798028 366053917 /nfs/dbraw/zinc/05/39/17/366053917.db2.gz FCFOVIPFYUDHJY-KRWDZBQOSA-N 2 0 299.418 1.768 10 0 CDAERP CC(C)[N@H+](C)CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001660146050 1172166975 /nfs/dbraw/zinc/16/69/75/1172166975.db2.gz KZBRQCGCJSOODH-CQSZACIVSA-N 2 0 267.417 1.175 10 0 CDAERP c1ccc(C[N@H+]2CC[C@@H](CNC3=[NH+]CCCN3)C2)cc1 ZINC000195164885 363365294 /nfs/dbraw/zinc/36/52/94/363365294.db2.gz PWCWGFFDYGCUGD-HNNXBMFYSA-N 2 0 272.396 1.447 10 0 CDAERP CCOC(=O)C1=CC[C@H]([NH2+][C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000863544501 684813984 /nfs/dbraw/zinc/81/39/84/684813984.db2.gz VZYLAPUITQCWSC-MELADBBJSA-N 2 0 266.385 1.888 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000357266047 283052047 /nfs/dbraw/zinc/05/20/47/283052047.db2.gz UHAIDFKFGHEWQM-ZIAGYGMSSA-N 2 0 269.433 1.517 10 0 CDAERP CC1CC[NH+](CCCNC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000416877296 535280137 /nfs/dbraw/zinc/28/01/37/535280137.db2.gz UHEJMNBZEXDOSN-GJZGRUSLSA-N 2 0 296.459 1.406 10 0 CDAERP C[N@H+](CCN1CC[NH2+]CC1)C[C@@H]1CCC(C)(C)CO1 ZINC000713584310 684824946 /nfs/dbraw/zinc/82/49/46/684824946.db2.gz DJXVLJJWTUXWDB-AWEZNQCLSA-N 2 0 269.433 1.029 10 0 CDAERP COc1cc2c(cc1OC)[C@@H](CCCNC(N)=[NH2+])[NH2+]CC2 ZINC000014947366 356402644 /nfs/dbraw/zinc/40/26/44/356402644.db2.gz FRROOMGFBCWJRP-GFCCVEGCSA-N 2 0 292.383 1.154 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1)[NH+](C)C ZINC000636099079 363507655 /nfs/dbraw/zinc/50/76/55/363507655.db2.gz IBXVFEMWNDEDPM-FRRDWIJNSA-N 2 0 253.390 1.070 10 0 CDAERP CC(C)CC[C@H]([NH3+])CNc1ccnn1C1C[NH2+]C1 ZINC000725260238 538454080 /nfs/dbraw/zinc/45/40/80/538454080.db2.gz PTVKHKZYIYFBOI-NSHDSACASA-N 2 0 251.378 1.203 10 0 CDAERP C[C@@H](CC[NH3+])[NH2+]CCCCCCCC[NH2+][C@@H](C)CC[NH3+] ZINC000013650049 356687412 /nfs/dbraw/zinc/68/74/12/356687412.db2.gz JEUQMNBOOMUMGW-HOTGVXAUSA-N 4 0 286.508 1.981 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@@H]1CCC[NH+]1C ZINC000171053136 356810068 /nfs/dbraw/zinc/81/00/68/356810068.db2.gz JWEFSBRITFOXFT-OLZOCXBDSA-N 2 0 270.421 1.110 10 0 CDAERP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H](COC)OC)C1 ZINC000659975839 412651083 /nfs/dbraw/zinc/65/10/83/412651083.db2.gz PJJQJJXQAAVYBG-ZIAGYGMSSA-N 2 0 258.406 1.312 10 0 CDAERP CC[N@H+](CCF)CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001660529062 1172231305 /nfs/dbraw/zinc/23/13/05/1172231305.db2.gz LJSGGCHXHQDOAC-AWEZNQCLSA-N 2 0 285.407 1.126 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@@H](C)C[C@@H]2COCCN2)CC1 ZINC000422740127 283317941 /nfs/dbraw/zinc/31/79/41/283317941.db2.gz MLXWWFCSCAIWLZ-GOEBONIOSA-N 2 0 283.460 1.465 10 0 CDAERP C[C@H](CC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)C1CC[NH2+]CC1 ZINC000634750350 358235317 /nfs/dbraw/zinc/23/53/17/358235317.db2.gz UXPBBHYVJNYZBL-XYPHTWIQSA-N 2 0 293.455 1.470 10 0 CDAERP C[N@@H+](Cc1cn2cccnc2n1)CC1CC[NH+](C)CC1 ZINC000154717519 363602018 /nfs/dbraw/zinc/60/20/18/363602018.db2.gz BZDXGZNKOGRRRS-UHFFFAOYSA-N 2 0 273.384 1.503 10 0 CDAERP [NH3+]C1(CNC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CCCCCC1 ZINC000569559187 358601897 /nfs/dbraw/zinc/60/18/97/358601897.db2.gz NJGYTBBZGUMLCT-OKILXGFUSA-N 2 0 294.443 1.574 10 0 CDAERP CC[N@H+](C)C[C@H]1CCN(C(=O)COC2CCC([NH3+])CC2)C1 ZINC000569572519 358633276 /nfs/dbraw/zinc/63/32/76/358633276.db2.gz FJWIXZULXJGABY-WLYUNCDWSA-N 2 0 297.443 1.073 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000055087680 358765434 /nfs/dbraw/zinc/76/54/34/358765434.db2.gz ICLUPLJXBRVGTB-QWHCGFSZSA-N 2 0 267.417 1.447 10 0 CDAERP C[NH2+]C[C@@H](C)C(=O)N1CCNC[C@H]1c1ccccc1OC ZINC000261928597 359093210 /nfs/dbraw/zinc/09/32/10/359093210.db2.gz JJZJMMFQTZWMKR-OCCSQVGLSA-N 2 0 291.395 1.024 10 0 CDAERP C[NH2+]C[C@H]1CCN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)C1 ZINC000335251318 359113625 /nfs/dbraw/zinc/11/36/25/359113625.db2.gz HFCAYIXOARUVOT-CYBMUJFWSA-N 2 0 287.407 1.056 10 0 CDAERP COCCO[C@H]1CCC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262033455 359125889 /nfs/dbraw/zinc/12/58/89/359125889.db2.gz OHPHYMUWELNRPQ-KBPBESRZSA-N 2 0 256.390 1.113 10 0 CDAERP C[C@H]1CN(Cc2nccn2Cc2ccccc2)C[C@@H]1[NH3+] ZINC000262044688 359129257 /nfs/dbraw/zinc/12/92/57/359129257.db2.gz PPCUKXXNJQAEDJ-ZFWWWQNUSA-N 2 0 270.380 1.710 10 0 CDAERP CCC[C@@](C)([NH3+])C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000037826192 359234019 /nfs/dbraw/zinc/23/40/19/359234019.db2.gz BONBZGMSDDBYHL-MRXNPFEDSA-N 2 0 281.444 1.838 10 0 CDAERP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](C)[C@H]2C)CC1 ZINC000339571216 359415440 /nfs/dbraw/zinc/41/54/40/359415440.db2.gz DTDHMYRAOMHHEC-HUUCEWRRSA-N 2 0 253.434 1.743 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000339442587 359408057 /nfs/dbraw/zinc/40/80/57/359408057.db2.gz LESLGMNZYUJIJX-CABCVRRESA-N 2 0 298.475 1.890 10 0 CDAERP CCNC(=O)C1C[NH+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000347683423 359513587 /nfs/dbraw/zinc/51/35/87/359513587.db2.gz DIWYGWKRGXTSHY-UHFFFAOYSA-N 2 0 284.363 1.440 10 0 CDAERP CN(C[C@H]1CCC[N@@H+]1C)C(=O)CC1CC[NH+](C)CC1 ZINC000422034299 359571825 /nfs/dbraw/zinc/57/18/25/359571825.db2.gz JERGDSPQWBEFAM-CQSZACIVSA-N 2 0 267.417 1.271 10 0 CDAERP Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H]3CCN(C)C3=O)C2)[nH+]1 ZINC000116275351 359596686 /nfs/dbraw/zinc/59/66/86/359596686.db2.gz UOOCBDLDWSIYNK-ZIAGYGMSSA-N 2 0 288.395 1.355 10 0 CDAERP c1ccc(C[N@H+]2CCCC[C@@H]2CN[C@@H]2CC[NH2+]C2)cc1 ZINC000379642794 359637834 /nfs/dbraw/zinc/63/78/34/359637834.db2.gz ZXUOSQVPUAMANT-IAGOWNOFSA-N 2 0 273.424 1.993 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCOc1cccc(F)c1 ZINC000422946774 359692132 /nfs/dbraw/zinc/69/21/32/359692132.db2.gz PHOBMSZZRODVPB-ZDUSSCGKSA-N 2 0 270.348 1.548 10 0 CDAERP COCCN1CC[C@@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C1 ZINC000297408664 200179472 /nfs/dbraw/zinc/17/94/72/200179472.db2.gz CQZASUKOHIQODJ-CQSZACIVSA-N 2 0 274.368 1.145 10 0 CDAERP COC[C@]1(C[NH2+][C@@H]2CC[C@H]2C2CCC2)CCC[NH2+]1 ZINC000423417691 359777039 /nfs/dbraw/zinc/77/70/39/359777039.db2.gz SRWJAMHGFIKGQC-RRFJBIMHSA-N 2 0 252.402 1.923 10 0 CDAERP CCC[NH+]1CCC([N@H+](C)C[C@H](O)CC2(O)CCC2)CC1 ZINC000528398412 359928046 /nfs/dbraw/zinc/92/80/46/359928046.db2.gz SOZDCWXCEMPVIO-OAHLLOKOSA-N 2 0 284.444 1.459 10 0 CDAERP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)CC3(O)CCC3)CC[C@@H]21 ZINC000528403258 359948783 /nfs/dbraw/zinc/94/87/83/359948783.db2.gz CKVBDPHBASQROF-ILXRZTDVSA-N 2 0 282.428 1.069 10 0 CDAERP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CCCN3CC[NH+](C)CC3)C[C@H]2C1 ZINC000424258408 359981951 /nfs/dbraw/zinc/98/19/51/359981951.db2.gz LXPVGIZTTMKYAR-WNKDZCFJSA-N 2 0 295.471 1.417 10 0 CDAERP C[C@H]1CC2(C[N@@H+]1C[C@@]1(C)CC[NH2+]C1)CC[NH2+]CC2 ZINC000335545182 360360090 /nfs/dbraw/zinc/36/00/90/360360090.db2.gz XSQMYINFCVONPP-KBPBESRZSA-N 3 0 251.418 1.450 10 0 CDAERP [NH3+][C@H]1CCC[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000566481250 360448024 /nfs/dbraw/zinc/44/80/24/360448024.db2.gz BRBAMIGMVLPLHX-JWMHWRSXSA-N 3 0 280.460 1.062 10 0 CDAERP O=S1(=O)CCC[C@H]([NH2+][C@H]2CCN3CCCC[C@H]23)CC1 ZINC000634952476 360546113 /nfs/dbraw/zinc/54/61/13/360546113.db2.gz AANDATRSCQSTDU-MELADBBJSA-N 2 0 286.441 1.170 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000337997599 360608942 /nfs/dbraw/zinc/60/89/42/360608942.db2.gz SJCVCPSQQUDNFH-KBMXLJTQSA-N 2 0 265.445 1.791 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000626934391 360654595 /nfs/dbraw/zinc/65/45/95/360654595.db2.gz YGNGLVRTHOEWTO-JHJVBQTASA-N 2 0 270.421 1.156 10 0 CDAERP C(N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C12CC(C1)C[NH2+]2 ZINC000634992983 360627488 /nfs/dbraw/zinc/62/74/88/360627488.db2.gz IDZAEODIGGWGGN-OGOZQZCJSA-N 2 0 275.440 1.687 10 0 CDAERP CCC1([NH+](C)C)CCN(Cc2ccc(N)nc2)CC1 ZINC000635001410 360638087 /nfs/dbraw/zinc/63/80/87/360638087.db2.gz APXLSBIZIPKGQN-UHFFFAOYSA-N 2 0 262.401 1.800 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000417174988 296022299 /nfs/dbraw/zinc/02/22/99/296022299.db2.gz IXSNNXVSBFVVOT-GHMZBOCLSA-N 2 0 270.421 1.284 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)C1 ZINC000333671574 283597315 /nfs/dbraw/zinc/59/73/15/283597315.db2.gz YJFQMSDVWRGWRX-ZNMIVQPWSA-N 2 0 273.380 1.287 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000635480431 361463580 /nfs/dbraw/zinc/46/35/80/361463580.db2.gz VOXNFJBHYJEWEC-IJLUTSLNSA-N 2 0 262.357 1.066 10 0 CDAERP CN(C)c1cc[nH+]cc1C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000183555798 189361989 /nfs/dbraw/zinc/36/19/89/189361989.db2.gz CHJDDAAAPMAYHF-LBPRGKRZSA-N 2 0 276.384 1.314 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+]1CCCC1(C)C ZINC000457069440 363893364 /nfs/dbraw/zinc/89/33/64/363893364.db2.gz FWFMLRYUEKJKCC-CQSZACIVSA-N 2 0 281.444 1.851 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCn2ncnc2C1 ZINC000572783025 363980481 /nfs/dbraw/zinc/98/04/81/363980481.db2.gz NUZZEOGUZNKWCQ-UHFFFAOYSA-N 2 0 295.350 1.183 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000566438218 370721648 /nfs/dbraw/zinc/72/16/48/370721648.db2.gz NGQYCVPIICZNHX-GJZGRUSLSA-N 2 0 279.428 1.415 10 0 CDAERP CN(C(=O)C[NH+](C)C1CCC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000629972544 364296127 /nfs/dbraw/zinc/29/61/27/364296127.db2.gz RQFUASNLUGTNOJ-AWEZNQCLSA-N 2 0 265.401 1.166 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000368436773 364540666 /nfs/dbraw/zinc/54/06/66/364540666.db2.gz BJNYNZHETNCULF-JWURUJNWSA-N 2 0 265.401 1.021 10 0 CDAERP CC1=CCN(CCNc2ncnc(N)c2Cl)CC1 ZINC000302861016 364587096 /nfs/dbraw/zinc/58/70/96/364587096.db2.gz UYZQWLHWGXUUSW-UHFFFAOYSA-N 2 0 267.764 1.776 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000468091823 364710154 /nfs/dbraw/zinc/71/01/54/364710154.db2.gz LJJHOARZRNBQQZ-JYJNAYRXSA-N 2 0 295.471 1.955 10 0 CDAERP O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000225524327 296068849 /nfs/dbraw/zinc/06/88/49/296068849.db2.gz QFNDJEYJWNIYMZ-XGUBFFRZSA-N 2 0 277.412 1.214 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC(CC[NH3+])CC1 ZINC000565158364 364876496 /nfs/dbraw/zinc/87/64/96/364876496.db2.gz XFTYPKZYOMKERI-OAHLLOKOSA-N 2 0 281.444 1.838 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353502871 365262187 /nfs/dbraw/zinc/26/21/87/365262187.db2.gz MKUUKRRBEVUZOA-TWMKSMIVSA-N 3 0 294.487 1.085 10 0 CDAERP CN(C)c1ccncc1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000353659766 365362833 /nfs/dbraw/zinc/36/28/33/365362833.db2.gz QSTKDXFYHLZZPI-UKRRQHHQSA-N 2 0 288.395 1.504 10 0 CDAERP CN(C)c1ccncc1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000353659765 365363729 /nfs/dbraw/zinc/36/37/29/365363729.db2.gz QSTKDXFYHLZZPI-HIFRSBDPSA-N 2 0 288.395 1.504 10 0 CDAERP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)[C@@H]1C[C@H]1C ZINC000414129070 241081783 /nfs/dbraw/zinc/08/17/83/241081783.db2.gz UPEBIDGMJDPDDF-IJEWVQPXSA-N 2 0 267.461 1.894 10 0 CDAERP C[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)[C@H]1C[C@H]1C ZINC000414182738 241104595 /nfs/dbraw/zinc/10/45/95/241104595.db2.gz DILFSCHXLZMNRS-OAGGEKHMSA-N 2 0 295.471 1.417 10 0 CDAERP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)[C@@H]1C[C@H]1C ZINC000414063231 241051817 /nfs/dbraw/zinc/05/18/17/241051817.db2.gz DKVQTYZHEKECQO-IJEWVQPXSA-N 2 0 288.439 1.968 10 0 CDAERP C[C@H](N[C@@H](C[NH+](C)C)c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400713191 366970752 /nfs/dbraw/zinc/97/07/52/366970752.db2.gz MTJBEDFPYVXCOU-IMJJTQAJSA-N 2 0 261.413 1.877 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CCSC[C@H]2CCO)CC[NH2+]1 ZINC000414754212 241369107 /nfs/dbraw/zinc/36/91/07/241369107.db2.gz NPBFKVUKYSRCEB-JHJVBQTASA-N 2 0 258.431 1.174 10 0 CDAERP C[C@@H](CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[N@H+](C)C1CC1 ZINC000626969734 367105659 /nfs/dbraw/zinc/10/56/59/367105659.db2.gz DWFURXWBVLRALF-VBNZEHGJSA-N 2 0 294.443 1.110 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000626998736 367220512 /nfs/dbraw/zinc/22/05/12/367220512.db2.gz RNTBBUPCVKXBHG-QLFBSQMISA-N 2 0 296.459 1.404 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)NCC2CC[NH+](C3CC3)CC2)C[NH2+]1 ZINC000627020168 367244063 /nfs/dbraw/zinc/24/40/63/367244063.db2.gz AUNAQGIAHNYLDL-TZMCWYRMSA-N 2 0 294.443 1.301 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)C[NH2+]1 ZINC000627020554 367244205 /nfs/dbraw/zinc/24/42/05/367244205.db2.gz IYONJRQEJZPYLR-NFAWXSAZSA-N 2 0 294.443 1.443 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)C[NH2+]1 ZINC000627022297 367245898 /nfs/dbraw/zinc/24/58/98/367245898.db2.gz COBSQSDSTYOQCN-RDBSUJKOSA-N 2 0 296.459 1.547 10 0 CDAERP O=C([C@H]1CC12CC[NH2+]CC2)N1CCC([NH+]2CCCC2)CC1 ZINC000070254742 296095964 /nfs/dbraw/zinc/09/59/64/296095964.db2.gz KIUCBEPQUMPEST-OAHLLOKOSA-N 2 0 291.439 1.463 10 0 CDAERP C[C@@H](C[NH2+][C@@H]1CN(C)C[C@H]1C)N1CCc2ccccc21 ZINC000358009176 367366055 /nfs/dbraw/zinc/36/60/55/367366055.db2.gz CKGCBNZFOIUMJB-IJEWVQPXSA-N 2 0 273.424 1.977 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)C(C)C ZINC000358116753 367445036 /nfs/dbraw/zinc/44/50/36/367445036.db2.gz DOBMGPRYLWYYJC-UONOGXRCSA-N 2 0 269.433 1.706 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CCc2cnc(C3CC3)nc2)CC[N@@H+]1C ZINC000358229389 367526152 /nfs/dbraw/zinc/52/61/52/367526152.db2.gz QKTCEFSVPOCPEA-IUODEOHRSA-N 2 0 274.412 1.969 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627134476 367551813 /nfs/dbraw/zinc/55/18/13/367551813.db2.gz YNOOKBIHRJXUIT-AWEZNQCLSA-N 2 0 296.459 1.500 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000627165863 367598138 /nfs/dbraw/zinc/59/81/38/367598138.db2.gz IYABYBKCHABNMU-QLFBSQMISA-N 2 0 294.443 1.254 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000627165623 367598574 /nfs/dbraw/zinc/59/85/74/367598574.db2.gz BCDCXAZWMHFJLY-CBBWQLFWSA-N 2 0 296.459 1.641 10 0 CDAERP O=C(Cn1ccnc1)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000281133107 367594044 /nfs/dbraw/zinc/59/40/44/367594044.db2.gz XWDPHRCJKHZVOH-OAHLLOKOSA-N 2 0 290.411 1.796 10 0 CDAERP CCC(CC)[C@H](CNC(=O)N[C@@H](C)[C@H](C)[NH3+])[NH+]1CCCC1 ZINC000416958514 242242100 /nfs/dbraw/zinc/24/21/00/242242100.db2.gz PBXPHTIAAWTYAU-YDHLFZDLSA-N 2 0 298.475 1.922 10 0 CDAERP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)CC1(O)CCC1)C2 ZINC000528520554 367815268 /nfs/dbraw/zinc/81/52/68/367815268.db2.gz XYLTWJLHZCHGLB-HUUCEWRRSA-N 2 0 282.428 1.070 10 0 CDAERP CCC[C@](C)([NH3+])C(=O)N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000262587171 284003633 /nfs/dbraw/zinc/00/36/33/284003633.db2.gz SWVKNNVITVZUFM-WZRBSPASSA-N 2 0 273.446 1.008 10 0 CDAERP CCC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)[NH+](C)C ZINC000125771502 368244654 /nfs/dbraw/zinc/24/46/54/368244654.db2.gz SKMJQKWBTUAFOE-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP C[N@H+](CC[C@@H]1CCCC[NH+]1C)CC1(O)CCOCC1 ZINC000123785725 368200907 /nfs/dbraw/zinc/20/09/07/368200907.db2.gz ZRORNJMCGZQHAH-AWEZNQCLSA-N 2 0 270.417 1.334 10 0 CDAERP C[C@@]1(CNC(=O)NC[C@H]([NH3+])c2ccccc2)CCC[NH2+]C1 ZINC000418456531 243101029 /nfs/dbraw/zinc/10/10/29/243101029.db2.gz TUAOXPVDMFUZAO-GOEBONIOSA-N 2 0 290.411 1.375 10 0 CDAERP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418553262 243206021 /nfs/dbraw/zinc/20/60/21/243206021.db2.gz STGDPDJPMRRFDJ-MGPQQGTHSA-N 2 0 282.432 1.110 10 0 CDAERP C[C@H](CNC(=O)C1=CC[C@H]([NH3+])C1)[N@H+](C)Cc1ccccc1 ZINC000638113532 368461174 /nfs/dbraw/zinc/46/11/74/368461174.db2.gz PALOIKNOTQVJHV-CJNGLKHVSA-N 2 0 287.407 1.671 10 0 CDAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000418575956 243228501 /nfs/dbraw/zinc/22/85/01/243228501.db2.gz NSVOHBWKFXMMFR-NHYWBVRUSA-N 2 0 288.395 1.087 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]CCN2C(=O)c3ccccc3C2=O)CC[NH2+]1 ZINC000414947310 370936076 /nfs/dbraw/zinc/93/60/76/370936076.db2.gz KQBZIJYTGNVGBG-RYUDHWBXSA-N 2 0 287.363 1.013 10 0 CDAERP C[NH2+]CCCC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000367380622 368865054 /nfs/dbraw/zinc/86/50/54/368865054.db2.gz BBZXDCKRQBCKOG-UHFFFAOYSA-N 2 0 265.332 1.410 10 0 CDAERP COc1c[nH+]ccc1N1CC[NH+](CCSC)CC1 ZINC000361523510 368872519 /nfs/dbraw/zinc/87/25/19/368872519.db2.gz FFPANTVCBOHETH-UHFFFAOYSA-N 2 0 267.398 1.575 10 0 CDAERP C[C@@H](C[NH+](C)C)NC(=O)c1ccccc1OCC[NH+](C)C ZINC000287305041 369157247 /nfs/dbraw/zinc/15/72/47/369157247.db2.gz VXDZYHLJJQFPKH-ZDUSSCGKSA-N 2 0 293.411 1.307 10 0 CDAERP C[N@@H+]1CC[C@H](NCCC[NH+]2CCCC2)[C@H]2CCC[C@H]21 ZINC000367621313 369200108 /nfs/dbraw/zinc/20/01/08/369200108.db2.gz ZZVUCVANJIVOKD-OWCLPIDISA-N 2 0 265.445 1.935 10 0 CDAERP C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)OCC1CC1 ZINC000420404346 244206035 /nfs/dbraw/zinc/20/60/35/244206035.db2.gz RWSUGHONFZZKPI-HUUCEWRRSA-N 2 0 252.402 1.877 10 0 CDAERP C[C@@H](C(=O)NC1CC1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000368792685 369593352 /nfs/dbraw/zinc/59/33/52/369593352.db2.gz ZYMPZIWOHOPAHJ-ZDUSSCGKSA-N 2 0 279.428 1.461 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000547968578 369702900 /nfs/dbraw/zinc/70/29/00/369702900.db2.gz LPALPYCLAWNPRC-CABCVRRESA-N 2 0 286.379 1.825 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000137107547 369914808 /nfs/dbraw/zinc/91/48/08/369914808.db2.gz LJPXBFLBTDAXKI-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP COC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCOCC1 ZINC000370478108 370065715 /nfs/dbraw/zinc/06/57/15/370065715.db2.gz SCSLZYHSERSEED-XHSDSOJGSA-N 2 0 282.428 1.644 10 0 CDAERP CC[NH+]1CCC[C@H](NC(=O)N[C@H]2CCC[N@@H+](CC)C2)C1 ZINC000249613376 370177136 /nfs/dbraw/zinc/17/71/36/370177136.db2.gz JZAOVSQKYBDORD-KBPBESRZSA-N 2 0 282.432 1.254 10 0 CDAERP CC[C@H](C)C[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000120460591 370401781 /nfs/dbraw/zinc/40/17/81/370401781.db2.gz IKUHUMSEEKNDMH-IRXDYDNUSA-N 2 0 297.487 1.759 10 0 CDAERP CCC[N@H+](CC)CCN[C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422819498 245296906 /nfs/dbraw/zinc/29/69/06/245296906.db2.gz INFRHBWZMRDGDA-CABCVRRESA-N 2 0 269.433 1.075 10 0 CDAERP C[NH2+]C1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000567828867 371164465 /nfs/dbraw/zinc/16/44/65/371164465.db2.gz OLGWZSQCWFQJIB-AWEZNQCLSA-N 2 0 267.417 1.461 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)CC[NH2+]C(C)C)CC1 ZINC000165864163 371390438 /nfs/dbraw/zinc/39/04/38/371390438.db2.gz GUVJQXXPTRCMAC-UHFFFAOYSA-N 2 0 269.433 1.613 10 0 CDAERP C[NH+](C)[C@@H]1CCN(C(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000171379369 371735628 /nfs/dbraw/zinc/73/56/28/371735628.db2.gz FOZBXOZSTLCYSD-CQSZACIVSA-N 2 0 282.432 1.064 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](C3CC3)C[C@H]2C)CC[N@@H+]1C ZINC000631770643 372398861 /nfs/dbraw/zinc/39/88/61/372398861.db2.gz JRVGHDMRSVAWSX-FAAHXZRKSA-N 2 0 279.428 1.316 10 0 CDAERP [NH3+]C1CCC([NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000333342042 205233801 /nfs/dbraw/zinc/23/38/01/205233801.db2.gz YHZOLSXYWBVLLO-JXQTWKCFSA-N 2 0 273.380 1.651 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000333353136 205244940 /nfs/dbraw/zinc/24/49/40/205244940.db2.gz JXDZQKKRKUGWCO-ZIAGYGMSSA-N 2 0 282.432 1.240 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCCC[C@H]1C[NH3+] ZINC000333452675 205332368 /nfs/dbraw/zinc/33/23/68/205332368.db2.gz XTJQOTNWVRONIT-LSDHHAIUSA-N 2 0 296.459 1.630 10 0 CDAERP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000062942806 373204767 /nfs/dbraw/zinc/20/47/67/373204767.db2.gz PCMTWLVEDHISJU-AVGNSLFASA-N 2 0 253.390 1.057 10 0 CDAERP C[C@@H]1CCC[N@H+](C[C@H]2CCc3ncnn32)[C@H]1CC[NH3+] ZINC000631829378 373720675 /nfs/dbraw/zinc/72/06/75/373720675.db2.gz OYQURGWTRWYCTM-UPJWGTAASA-N 2 0 263.389 1.215 10 0 CDAERP CC1(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)C[NH2+]C1 ZINC000399175720 373707396 /nfs/dbraw/zinc/70/73/96/373707396.db2.gz QCPWDRCJGPWGEF-UHFFFAOYSA-N 2 0 273.380 1.830 10 0 CDAERP CC[C@@H]1CCCC[C@H]1C[NH2+]CCN1CC[C@@H](O)C1 ZINC000628464779 374249177 /nfs/dbraw/zinc/24/91/77/374249177.db2.gz JEGKYUXNJYSGCV-QLFBSQMISA-N 2 0 254.418 1.859 10 0 CDAERP CCN1C(N)=[NH+]C[C@]12CC[N@H+](Cc1ccccc1)[C@@H]2C ZINC000307669542 374297305 /nfs/dbraw/zinc/29/73/05/374297305.db2.gz SOOHVWWHTPEYTM-CJNGLKHVSA-N 2 0 272.396 1.670 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)[C@H](C)C1 ZINC000418619544 374453480 /nfs/dbraw/zinc/45/34/80/374453480.db2.gz PCSPGAXHUSNFBO-TUVASFSCSA-N 2 0 296.459 1.356 10 0 CDAERP CC1CC[NH+](CCCNCc2nccn2C)CC1 ZINC000049900851 375478320 /nfs/dbraw/zinc/47/83/20/375478320.db2.gz PNJANXBOHDWNDU-UHFFFAOYSA-N 2 0 250.390 1.632 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000134728602 375652879 /nfs/dbraw/zinc/65/28/79/375652879.db2.gz HNQVMWKSLCBVIM-CQSZACIVSA-N 2 0 267.417 1.176 10 0 CDAERP CC[NH+](CC)CCCNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000416815778 375691256 /nfs/dbraw/zinc/69/12/56/375691256.db2.gz NXNOLEJBBKPCAC-CHWSQXEVSA-N 2 0 270.421 1.016 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@@H](C)CC[NH+](C)C)cc1 ZINC000417305402 375756757 /nfs/dbraw/zinc/75/67/57/375756757.db2.gz ASTOFFHCOZCYKE-QWHCGFSZSA-N 2 0 292.427 1.846 10 0 CDAERP CCC[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)[NH+](C)C ZINC000245900435 376307672 /nfs/dbraw/zinc/30/76/72/376307672.db2.gz UAPDRUQIKXVWKJ-RRFJBIMHSA-N 2 0 281.444 1.659 10 0 CDAERP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000638974999 376315748 /nfs/dbraw/zinc/31/57/48/376315748.db2.gz GDIZMQISYODLBA-STQMWFEESA-N 2 0 269.433 1.693 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)N[C@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000417390885 376317532 /nfs/dbraw/zinc/31/75/32/376317532.db2.gz KONYWUSZUGKDHU-HIFRSBDPSA-N 2 0 296.459 1.548 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000638979293 376333575 /nfs/dbraw/zinc/33/35/75/376333575.db2.gz AIGZAGVWFLBOFB-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)CC1 ZINC000417393089 376341306 /nfs/dbraw/zinc/34/13/06/376341306.db2.gz QBSOEIAQRPBDBQ-KBPBESRZSA-N 2 0 296.459 1.500 10 0 CDAERP O=C([C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)N1CCC[N@@H+](C2CC2)CC1 ZINC000246172346 376526981 /nfs/dbraw/zinc/52/69/81/376526981.db2.gz BIACCQFOWZRZAP-KBMXLJTQSA-N 2 0 291.439 1.604 10 0 CDAERP CS[C@@H]1CC[C@H]1[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000425363768 376611407 /nfs/dbraw/zinc/61/14/07/376611407.db2.gz WRKCZOVBCCOVAP-BFHYXJOUSA-N 2 0 272.458 1.707 10 0 CDAERP CCN(CC(F)(F)F)C(=O)CN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000631823822 376650033 /nfs/dbraw/zinc/65/00/33/376650033.db2.gz OPQMJTYZSRHUMZ-UWVGGRQHSA-N 2 0 281.322 1.066 10 0 CDAERP C(CC1CC[NH2+]CC1)CN1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631889586 376783849 /nfs/dbraw/zinc/78/38/49/376783849.db2.gz HXXBFOMPNSPQTO-CVEARBPZSA-N 2 0 265.445 1.840 10 0 CDAERP CCOC(=O)c1csc(CC[NH2+][C@H]2CN(C)C[C@@H]2C)n1 ZINC000344787909 376854816 /nfs/dbraw/zinc/85/48/16/376854816.db2.gz DWZAXPTUCSPYGN-QWRGUYRKSA-N 2 0 297.424 1.402 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)N2CCOCC2)[C@@H](C)C1 ZINC000246856890 377003013 /nfs/dbraw/zinc/00/30/13/377003013.db2.gz CUVAUBASNDEVRI-KKUMJFAQSA-N 2 0 269.433 1.027 10 0 CDAERP C[N@H+](C[C@@H](O)COC(C)(C)C)C[C@H]1CCC[NH+](C)C1 ZINC000247135991 377058799 /nfs/dbraw/zinc/05/87/99/377058799.db2.gz WUOMWULMPCSSQS-UONOGXRCSA-N 2 0 272.433 1.436 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)N[C@@H]1C[NH+](C(C)C)C[C@@H]1C ZINC000247497904 377133762 /nfs/dbraw/zinc/13/37/62/377133762.db2.gz XIULJCAEZCKQSG-UONOGXRCSA-N 2 0 284.448 1.355 10 0 CDAERP C[C@@H]1CN(C(=O)NCC2([NH3+])CCCCCC2)C[C@@H]1[NH3+] ZINC000334937114 377708585 /nfs/dbraw/zinc/70/85/85/377708585.db2.gz UVABSUNKJAIBMU-NEPJUHHUSA-N 2 0 268.405 1.027 10 0 CDAERP O=C(NC1CC([NH+]2CCCCC2)C1)[C@H]1CCCC[NH2+]1 ZINC000335032433 377780042 /nfs/dbraw/zinc/78/00/42/377780042.db2.gz YDFCWBVRUYPRCG-JXQTWKCFSA-N 2 0 265.401 1.262 10 0 CDAERP CCC[C@@H](C(=O)NC1CC[NH+](CCCOC)CC1)[NH+](C)C ZINC000161959747 377806421 /nfs/dbraw/zinc/80/64/21/377806421.db2.gz XANWNUJGTSSKOE-HNNXBMFYSA-N 2 0 299.459 1.334 10 0 CDAERP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261754038 377898184 /nfs/dbraw/zinc/89/81/84/377898184.db2.gz LJIOEKJRUDYSGI-HUUCEWRRSA-N 2 0 297.443 1.073 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)NCCC[NH+](C)C)CC1 ZINC000632838617 377919802 /nfs/dbraw/zinc/91/98/02/377919802.db2.gz FPFXTFPOVKPGQU-UHFFFAOYSA-N 2 0 284.448 1.454 10 0 CDAERP C[C@H](C[NH3+])CNC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000417537500 377903415 /nfs/dbraw/zinc/90/34/15/377903415.db2.gz SKCGXFIRZLCYJV-UPJWGTAASA-N 2 0 270.421 1.143 10 0 CDAERP [NH3+]C1(CNC(=O)NC[C@H]2CCCC[NH2+]2)CCCCCC1 ZINC000634047432 378986792 /nfs/dbraw/zinc/98/67/92/378986792.db2.gz DXPMGOSWCCOARH-CYBMUJFWSA-N 2 0 282.432 1.479 10 0 CDAERP C[NH+](C)CCC[C@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000662327361 412898884 /nfs/dbraw/zinc/89/88/84/412898884.db2.gz OLQOFUCMDWDZRW-CABCVRRESA-N 2 0 269.433 1.029 10 0 CDAERP CC[C@](C)(O)C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000444603433 250152329 /nfs/dbraw/zinc/15/23/29/250152329.db2.gz TVISMGLGKGDRKJ-CABCVRRESA-N 2 0 254.418 1.811 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)[C@@H]1C[C@H]1C ZINC000657574046 412907579 /nfs/dbraw/zinc/90/75/79/412907579.db2.gz XGQVVIMMJUGAKQ-CBBWQLFWSA-N 2 0 255.450 1.893 10 0 CDAERP O=C(c1cccc2c1C[NH2+]C2)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000662339060 412907894 /nfs/dbraw/zinc/90/78/94/412907894.db2.gz RPKICBIGFHTDBY-WMLDXEAASA-N 2 0 299.418 1.894 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)CO1 ZINC000657598082 412928665 /nfs/dbraw/zinc/92/86/65/412928665.db2.gz XYYMXBNSOVSLSG-XOKHGSTOSA-N 2 0 290.407 1.520 10 0 CDAERP C[C@H]([NH3+])c1ccc(S(=O)(=O)NCCCC[NH+](C)C)cc1 ZINC000041681716 184551494 /nfs/dbraw/zinc/55/14/94/184551494.db2.gz MMVTVWCKMKVXKB-LBPRGKRZSA-N 2 0 299.440 1.326 10 0 CDAERP CC(C)[NH2+]CCCC(=O)NC[C@@H](C(C)C)[NH+](C)C ZINC000040825707 184549852 /nfs/dbraw/zinc/54/98/52/184549852.db2.gz ABLGQRGVWUATFQ-ZDUSSCGKSA-N 2 0 257.422 1.467 10 0 CDAERP Cc1cnc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cn1 ZINC000453389331 252309121 /nfs/dbraw/zinc/30/91/21/252309121.db2.gz CEBXTECCNQGMAY-BZUAXINKSA-N 2 0 274.412 1.790 10 0 CDAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC000355410824 285020536 /nfs/dbraw/zinc/02/05/36/285020536.db2.gz LRKVPZKGSYONKF-QLFBSQMISA-N 2 0 297.443 1.086 10 0 CDAERP CO[C@H](C[NH+]1CCC2(CCC[N@@H+]2C)CC1)[C@H]1CCOC1 ZINC000660166709 412972997 /nfs/dbraw/zinc/97/29/97/412972997.db2.gz DHTXIRZBAFIWRE-LSDHHAIUSA-N 2 0 282.428 1.598 10 0 CDAERP O[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C12CCC2 ZINC000657707597 412993700 /nfs/dbraw/zinc/99/37/00/412993700.db2.gz IDDJKIDWRCORNZ-XDQVBPFNSA-N 2 0 250.386 1.506 10 0 CDAERP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C1([NH2+]C2CC2)CCC1 ZINC000662427299 413007032 /nfs/dbraw/zinc/00/70/32/413007032.db2.gz FCQWLMJCOTZWRB-ZDUSSCGKSA-N 2 0 267.417 1.493 10 0 CDAERP CCC[NH+]1CCC(C(=O)N2CC[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000236767934 256853158 /nfs/dbraw/zinc/85/31/58/256853158.db2.gz JVNJGTBHAGYTMB-TZMCWYRMSA-N 2 0 267.417 1.447 10 0 CDAERP CC(C)[NH+](C)CC(=O)NCC[N@@H+](C)CC[C@H](C)F ZINC001663339816 1172676879 /nfs/dbraw/zinc/67/68/79/1172676879.db2.gz SFUONKQZLOKRNQ-LBPRGKRZSA-N 2 0 261.385 1.123 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000656127311 413041157 /nfs/dbraw/zinc/04/11/57/413041157.db2.gz XLEZXHVBQLPSRB-GDLCADMTSA-N 2 0 279.359 1.282 10 0 CDAERP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@H](C)[C@H]([NH3+])C2)o1 ZINC000647084903 390394766 /nfs/dbraw/zinc/39/47/66/390394766.db2.gz OIGRTSJGBMUNFQ-WCQYABFASA-N 2 0 279.384 1.541 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)[C@H](C)C1 ZINC000418552632 285389444 /nfs/dbraw/zinc/38/94/44/285389444.db2.gz MQAJOFKZQGLJJD-YJNKXOJESA-N 2 0 296.459 1.356 10 0 CDAERP CCC[C@H](C(=O)N1CC[C@H](C[NH+](CC)CC)C1)[NH+](C)C ZINC000122843594 390834301 /nfs/dbraw/zinc/83/43/01/390834301.db2.gz ISCTYVRBDGHAFB-HUUCEWRRSA-N 2 0 283.460 1.907 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)[C@]2(O)CCOC2)CC[N@@H+]1C ZINC000647340314 390943220 /nfs/dbraw/zinc/94/32/20/390943220.db2.gz HNHAQIHECASOHW-IPYPFGDCSA-N 2 0 270.417 1.236 10 0 CDAERP CC(C)[NH2+]CCC(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000648205610 390951707 /nfs/dbraw/zinc/95/17/07/390951707.db2.gz JSUAJJMOYFLHTE-GFCCVEGCSA-N 2 0 253.390 1.165 10 0 CDAERP C[NH+]1CCC(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000377795421 390929341 /nfs/dbraw/zinc/92/93/41/390929341.db2.gz CTBVWRBBMFJRIQ-MRXNPFEDSA-N 2 0 299.434 1.657 10 0 CDAERP C[C@H](Cc1ccccc1)C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000415102251 391028280 /nfs/dbraw/zinc/02/82/80/391028280.db2.gz DGTXYTAQYLCSIG-ZBFHGGJFSA-N 2 0 262.397 1.915 10 0 CDAERP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000417786857 391063304 /nfs/dbraw/zinc/06/33/04/391063304.db2.gz DGWGYODZHXMHEK-XQQFMLRXSA-N 2 0 267.417 1.350 10 0 CDAERP c1cncc([C@@H]2C[NH2+]CCN2CCCC2CC[NH2+]CC2)c1 ZINC000647953285 391072527 /nfs/dbraw/zinc/07/25/27/391072527.db2.gz BFNWTCMRJNGGRB-KRWDZBQOSA-N 2 0 288.439 1.808 10 0 CDAERP O=C(CC1CCCC1)NC1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000647884558 391143262 /nfs/dbraw/zinc/14/32/62/391143262.db2.gz DYGKBYZMBAQZBV-OAHLLOKOSA-N 2 0 293.455 1.757 10 0 CDAERP C[C@@H]1C[C@H]([NH3+])CCN1Cc1cc(-c2cnn(C)c2)no1 ZINC000567911159 391143703 /nfs/dbraw/zinc/14/37/03/391143703.db2.gz NNHVVSQYFLHXBU-ZYHUDNBSSA-N 2 0 275.356 1.387 10 0 CDAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CCOCC[C@H]2C)CC1 ZINC000374296205 391158087 /nfs/dbraw/zinc/15/80/87/391158087.db2.gz WJWDLRKSIUHJEI-MRXNPFEDSA-N 2 0 283.460 1.513 10 0 CDAERP C[NH+](C)C1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000647675009 391168028 /nfs/dbraw/zinc/16/80/28/391168028.db2.gz KOSCUELGCGYLJK-BCLQGDPASA-N 2 0 293.455 1.992 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCC[NH+](C)C1CC1 ZINC000352741579 391180403 /nfs/dbraw/zinc/18/04/03/391180403.db2.gz YQPICVQGUVLTHR-OKILXGFUSA-N 2 0 296.459 1.643 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCC[NH+]1C ZINC000354154927 391409383 /nfs/dbraw/zinc/40/93/83/391409383.db2.gz FXHSTXZRNVLHRI-OLZOCXBDSA-N 2 0 253.390 1.071 10 0 CDAERP Cc1cnn(CC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647977769 391375277 /nfs/dbraw/zinc/37/52/77/391375277.db2.gz HLWFOJRSSLALIS-CVEARBPZSA-N 2 0 276.428 1.903 10 0 CDAERP CN(C)c1ncc(CNCc2cccnc2N(C)C)n1C ZINC000425362292 391488231 /nfs/dbraw/zinc/48/82/31/391488231.db2.gz UIFPBBQVAGCSIH-UHFFFAOYSA-N 2 0 288.399 1.237 10 0 CDAERP C[N@@H+]1CC[C@H](NC[C@H]2CC[NH2+]C2)[C@H]1c1ccccc1 ZINC000647992537 391699915 /nfs/dbraw/zinc/69/99/15/391699915.db2.gz MZTFOVVMXGDKCM-CWRNSKLLSA-N 2 0 259.397 1.631 10 0 CDAERP C[C@@H](NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)[C@H](C)[NH3+] ZINC000417665764 391726946 /nfs/dbraw/zinc/72/69/46/391726946.db2.gz ZSNNALDFKULGJO-WDEREUQCSA-N 2 0 296.390 1.422 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000417665761 391727100 /nfs/dbraw/zinc/72/71/00/391727100.db2.gz ZSNNALDFKULGJO-GHMZBOCLSA-N 2 0 296.390 1.422 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2ccnn2C)[C@H](C)C1 ZINC000336805904 392086764 /nfs/dbraw/zinc/08/67/64/392086764.db2.gz VQSVKXZLJGADBM-UKRRQHHQSA-N 2 0 264.417 1.625 10 0 CDAERP C[C@]1(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)CC[NH2+]C1 ZINC000261710966 392018964 /nfs/dbraw/zinc/01/89/64/392018964.db2.gz DNINQGWTTJHIEJ-KFWWJZLASA-N 2 0 252.402 1.735 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)CCc1cncn1C ZINC000526003983 392036292 /nfs/dbraw/zinc/03/62/92/392036292.db2.gz XCHOVESUEVVBJE-KBPBESRZSA-N 2 0 292.427 1.732 10 0 CDAERP CC(C)(C)[C@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000336786738 392061302 /nfs/dbraw/zinc/06/13/02/392061302.db2.gz JEHKHEAJIFOCQY-ZIAGYGMSSA-N 2 0 254.418 1.811 10 0 CDAERP COCCN1CC[C@H]([NH2+]CCC[C@@H]2CCOC2)C1 ZINC000402384919 392097311 /nfs/dbraw/zinc/09/73/11/392097311.db2.gz PJPCXRMLKLHSQH-KGLIPLIRSA-N 2 0 256.390 1.113 10 0 CDAERP CCC[NH+]1CCC(NC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000529313891 392317793 /nfs/dbraw/zinc/31/77/93/392317793.db2.gz RFZRHFHJCMPIEI-GXTWGEPZSA-N 2 0 282.432 1.301 10 0 CDAERP CCC[N@H+](CC)CCN[C@@H](C)c1c[nH+]ccc1N ZINC000422822804 392263061 /nfs/dbraw/zinc/26/30/61/392263061.db2.gz KQVBBQQRNHEJJO-LBPRGKRZSA-N 2 0 250.390 1.877 10 0 CDAERP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CC[C@H]2C)CC[NH2+]CC1 ZINC000423103740 392348657 /nfs/dbraw/zinc/34/86/57/392348657.db2.gz GLOLFLDWCSRIGI-FRRDWIJNSA-N 2 0 268.401 1.696 10 0 CDAERP C[C@@H]([NH2+]CC1(CF)CCOCC1)[C@@H]1CCCC[NH2+]1 ZINC000423158125 392397190 /nfs/dbraw/zinc/39/71/90/392397190.db2.gz WIOLIVNYJMBBQY-OLZOCXBDSA-N 2 0 258.381 1.873 10 0 CDAERP COCCOc1ccc([C@@H](C)[NH2+]CCC[NH3+])cc1 ZINC000423183155 392423124 /nfs/dbraw/zinc/42/31/24/392423124.db2.gz RJPNGECVVUPHBB-GFCCVEGCSA-N 2 0 252.358 1.711 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](CO)c1ccc(F)cc1 ZINC000423195306 392433601 /nfs/dbraw/zinc/43/36/01/392433601.db2.gz XPTBSMPRDQWLTJ-ZFWWWQNUSA-N 2 0 284.375 1.245 10 0 CDAERP CC(C)[NH2+]CCC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000646430774 392439826 /nfs/dbraw/zinc/43/98/26/392439826.db2.gz IHWXHXBCRXCBTI-CYBMUJFWSA-N 2 0 253.390 1.070 10 0 CDAERP Cc1cncn1CC(=O)NCc1cc(C)nc(C)c1 ZINC000529497308 392452518 /nfs/dbraw/zinc/45/25/18/392452518.db2.gz MRSOJBYNXOFNEW-UHFFFAOYSA-N 2 0 258.325 1.520 10 0 CDAERP CC(C)[C@@H](Cn1cccn1)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423274902 392481041 /nfs/dbraw/zinc/48/10/41/392481041.db2.gz MMEJLDQHYMLFHP-LSDHHAIUSA-N 2 0 264.417 1.887 10 0 CDAERP CC[C@H](Cn1cncn1)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000423276945 392483906 /nfs/dbraw/zinc/48/39/06/392483906.db2.gz NPVKDSUJGDOFAT-YNEHKIRRSA-N 2 0 251.378 1.164 10 0 CDAERP CC[NH2+]CCCNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000574059950 392504609 /nfs/dbraw/zinc/50/46/09/392504609.db2.gz FGNUUZIOWPXJDB-UHFFFAOYSA-N 2 0 282.432 1.302 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CC2)C1 ZINC000494798696 393107205 /nfs/dbraw/zinc/10/72/05/393107205.db2.gz FQOJJDSHRIXMMV-TZMCWYRMSA-N 2 0 265.401 1.071 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC[N@@H+]1C ZINC000377748914 393169570 /nfs/dbraw/zinc/16/95/70/393169570.db2.gz UEDOFJGVBNORTC-SYAUCNOPSA-N 2 0 293.455 1.563 10 0 CDAERP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000494898117 393126246 /nfs/dbraw/zinc/12/62/46/393126246.db2.gz OTICNJXQGJWRRL-NSHDSACASA-N 2 0 255.406 1.221 10 0 CDAERP O[C@@H]1C[C@@H]([C@H]2CCCOC2)[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000451297692 393208618 /nfs/dbraw/zinc/20/86/18/393208618.db2.gz DAGCVJYLKWRFQX-BBWFWOEESA-N 2 0 296.455 1.724 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC000548851337 393389299 /nfs/dbraw/zinc/38/92/99/393389299.db2.gz BAANAGZVWGGXFN-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCO)C[C@@H]1C ZINC000452116209 393473394 /nfs/dbraw/zinc/47/33/94/393473394.db2.gz BYWQFQRJXSNWSY-HOTGVXAUSA-N 2 0 283.460 1.248 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@H](O)COc2ccc(F)cc2)C1 ZINC000656153422 413061738 /nfs/dbraw/zinc/06/17/38/413061738.db2.gz QXTICUWIVHKJLZ-CFVMTHIKSA-N 2 0 296.386 1.495 10 0 CDAERP COC[C@@H](CC1CCOCC1)[NH2+]CC1CC[NH+](C)CC1 ZINC000657873887 413066130 /nfs/dbraw/zinc/06/61/30/413066130.db2.gz VVOPZEIGPFNCRZ-MRXNPFEDSA-N 2 0 284.444 1.750 10 0 CDAERP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000063124004 413074475 /nfs/dbraw/zinc/07/44/75/413074475.db2.gz DBRNJMXYWBHEGS-PMPSAXMXSA-N 2 0 293.455 1.707 10 0 CDAERP C[C@@H]([NH3+])c1cc(F)ccc1N1CC[NH+](CC(C)(C)O)CC1 ZINC000071380995 134966200 /nfs/dbraw/zinc/96/62/00/134966200.db2.gz SXHBLYDEFDXGEA-GFCCVEGCSA-N 2 0 295.402 1.738 10 0 CDAERP Cc1nccn1CC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000220394534 140167816 /nfs/dbraw/zinc/16/78/16/140167816.db2.gz MWXKLYWQXRUXDG-HUUCEWRRSA-N 2 0 263.385 1.819 10 0 CDAERP CCCn1cc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cn1 ZINC000233421365 140225706 /nfs/dbraw/zinc/22/57/06/140225706.db2.gz HIYONXVUNPBLHI-ZDUSSCGKSA-N 2 0 250.390 1.854 10 0 CDAERP [NH3+]C1(CNC(=O)C[C@@H]2CSCC[NH2+]2)CCCCCC1 ZINC000237829270 140259396 /nfs/dbraw/zinc/25/93/96/140259396.db2.gz KJJVJVCFUVNZIG-GFCCVEGCSA-N 2 0 285.457 1.249 10 0 CDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C[C@H]1CC[NH2+]C1 ZINC000261546627 140345255 /nfs/dbraw/zinc/34/52/55/140345255.db2.gz LCFGSYWXSSNMKD-GDBMZVCRSA-N 2 0 289.423 1.623 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1CC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000261645743 140368401 /nfs/dbraw/zinc/36/84/01/140368401.db2.gz DBPFRJSOJLBFAN-HRCADAONSA-N 2 0 293.455 1.885 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000261688409 140375763 /nfs/dbraw/zinc/37/57/63/140375763.db2.gz HMMLJGAWAFIMAN-RBSFLKMASA-N 2 0 279.428 1.448 10 0 CDAERP C[C@]1(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)CC[NH2+]C1 ZINC000261707449 140379358 /nfs/dbraw/zinc/37/93/58/140379358.db2.gz DCHNSJKMSXSMBU-OCCSQVGLSA-N 2 0 254.374 1.071 10 0 CDAERP C[NH+](C)C1(CNC(=O)C2([NH3+])CCOCC2)CCCCCC1 ZINC000261840602 140397102 /nfs/dbraw/zinc/39/71/02/140397102.db2.gz LNQLYGMJUMTWBE-UHFFFAOYSA-N 2 0 297.443 1.265 10 0 CDAERP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cccc(-c2ccncc2)c1 ZINC000263203163 140456589 /nfs/dbraw/zinc/45/65/89/140456589.db2.gz JIPIXFLKFNLMBX-IRXDYDNUSA-N 2 0 283.375 1.419 10 0 CDAERP C[NH+](C)[C@@H]1CCC[N@H+](CC2(O)CCSCC2)CC1 ZINC000660415428 413109658 /nfs/dbraw/zinc/10/96/58/413109658.db2.gz CRZVIURUHMEPCP-CYBMUJFWSA-N 2 0 272.458 1.661 10 0 CDAERP CC1([NH3+])CCN(C(=O)C[C@@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662556374 413122756 /nfs/dbraw/zinc/12/27/56/413122756.db2.gz PXTFWHGJEPOFNH-AWEZNQCLSA-N 2 0 273.380 1.561 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC000656268554 413150339 /nfs/dbraw/zinc/15/03/39/413150339.db2.gz FJWZNYFYMQANIY-YIYPIFLZSA-N 2 0 288.457 1.272 10 0 CDAERP C[N@H+](CCNC(=O)C1CCC([NH3+])CC1)Cc1ccccc1 ZINC000386819209 398082903 /nfs/dbraw/zinc/08/29/03/398082903.db2.gz TVNMAXZWDCAFBK-UHFFFAOYSA-N 2 0 289.423 1.752 10 0 CDAERP CN(CC(C)(C)[NH3+])C(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000662606113 413180131 /nfs/dbraw/zinc/18/01/31/413180131.db2.gz YZOFTLOZLKMTMB-LBPRGKRZSA-N 2 0 267.348 1.064 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@]1(CC)CC[NH2+]C1 ZINC000092629694 147018489 /nfs/dbraw/zinc/01/84/89/147018489.db2.gz NJSWIXXEUYSEKB-DZGCQCFKSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)[NH+](CCNC(=O)[C@H]1CC[C@H]([NH3+])C1)C(C)C ZINC000097092043 147120199 /nfs/dbraw/zinc/12/01/99/147120199.db2.gz FFAJPCROLAVQSW-STQMWFEESA-N 2 0 255.406 1.349 10 0 CDAERP Cc1ncncc1[C@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000658105714 413205045 /nfs/dbraw/zinc/20/50/45/413205045.db2.gz CUEUJSNYHBBVII-ZFWWWQNUSA-N 2 0 293.459 1.708 10 0 CDAERP C[C@]1(CN2CCN(Cc3ccncc3)CC2)CC[NH2+]C1 ZINC000262082490 149012493 /nfs/dbraw/zinc/01/24/93/149012493.db2.gz TWSJTTIPZYUCLO-INIZCTEOSA-N 2 0 274.412 1.199 10 0 CDAERP CC(C)(C)[C@@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C[C@H]1O ZINC000262141301 149026268 /nfs/dbraw/zinc/02/62/68/149026268.db2.gz ZEXKZCUZWRKIJA-NFAWXSAZSA-N 2 0 254.418 1.715 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000334922202 150083216 /nfs/dbraw/zinc/08/32/16/150083216.db2.gz BYDXQGANHZLMPF-UHFFFAOYSA-N 2 0 296.459 1.500 10 0 CDAERP O=C(N1CC[NH+]2CCC1CC2)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000335045486 150223860 /nfs/dbraw/zinc/22/38/60/150223860.db2.gz AAQLOPIIRLKOED-GOSISDBHSA-N 2 0 299.418 1.224 10 0 CDAERP C[C@]([NH3+])(C(=O)N1CCC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000336229681 151376963 /nfs/dbraw/zinc/37/69/63/151376963.db2.gz PEMONXAZVBCJHY-SWLSCSKDSA-N 2 0 261.369 1.058 10 0 CDAERP CCO[C@@H]1C[C@@H](O)C12CC[NH+](C[C@]1(C)CC[NH2+]C1)CC2 ZINC000261897217 286296102 /nfs/dbraw/zinc/29/61/02/286296102.db2.gz VFMQGIDJCFDNAV-RBSFLKMASA-N 2 0 282.428 1.238 10 0 CDAERP COc1cc2c(cc1F)CC[C@@H]2[NH2+]CCOCC[NH+](C)C ZINC000343461192 152190087 /nfs/dbraw/zinc/19/00/87/152190087.db2.gz WDKKGVCHKBLWAZ-HNNXBMFYSA-N 2 0 296.386 1.989 10 0 CDAERP C[C@@H]([NH2+]CCO[C@H]1CC1(F)F)C1CC[NH+](C)CC1 ZINC000658171054 413263110 /nfs/dbraw/zinc/26/31/10/413263110.db2.gz WJPFNGIGSLTUEC-PWSUYJOCSA-N 2 0 262.344 1.731 10 0 CDAERP C[C@H]([NH2+]CCO[C@H]1CC1(F)F)C1CC[NH+](C)CC1 ZINC000658171053 413263728 /nfs/dbraw/zinc/26/37/28/413263728.db2.gz WJPFNGIGSLTUEC-JQWIXIFHSA-N 2 0 262.344 1.731 10 0 CDAERP CC(C)C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)C(=O)NCC[NH+](C)C ZINC000346841940 153322759 /nfs/dbraw/zinc/32/27/59/153322759.db2.gz WNRUTSHCWUDJFD-SOUVJXGZSA-N 2 0 299.459 1.236 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000346984805 153368195 /nfs/dbraw/zinc/36/81/95/153368195.db2.gz QYLHTOPXRZJIRV-GUTXKFCHSA-N 2 0 279.428 1.412 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCCCC[NH+]1CCOCC1 ZINC000354264757 156357346 /nfs/dbraw/zinc/35/73/46/156357346.db2.gz GYVVLDGKKJSTMD-HNNXBMFYSA-N 2 0 297.443 1.089 10 0 CDAERP [NH3+][C@H](c1cn([C@H]2CCC[NH2+]C2)nn1)c1ccc(F)cc1 ZINC000656467761 413325640 /nfs/dbraw/zinc/32/56/40/413325640.db2.gz RUPUYBQPHHSBDJ-JSGCOSHPSA-N 2 0 275.331 1.390 10 0 CDAERP O=C(N1CCC[C@H]([NH+]2CCCC2)C1)C1([NH2+]C2CC2)CCC1 ZINC000662694102 413328364 /nfs/dbraw/zinc/32/83/64/413328364.db2.gz WXLQQMLLZZDCSL-HNNXBMFYSA-N 2 0 291.439 1.748 10 0 CDAERP CCC[NH+]1CCC([NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)CC1 ZINC000362252327 159106907 /nfs/dbraw/zinc/10/69/07/159106907.db2.gz BMPMCJNPZSMGQI-YUELXQCFSA-N 2 0 279.428 1.460 10 0 CDAERP C[C@@H](CC[NH+](C)C)NC(=O)CC1CC[NH+](C)CC1 ZINC000362770351 159234768 /nfs/dbraw/zinc/23/47/68/159234768.db2.gz RPVQNDNPAZXGEX-LBPRGKRZSA-N 2 0 255.406 1.175 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)CC2([NH3+])CC2)C[C@H]1C ZINC000662742686 413412057 /nfs/dbraw/zinc/41/20/57/413412057.db2.gz FZSBTCUOVCVJTD-VXGBXAGGSA-N 2 0 253.390 1.199 10 0 CDAERP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)CC2([NH3+])CC2)C1 ZINC000662746500 413421773 /nfs/dbraw/zinc/42/17/73/413421773.db2.gz MBJUJJKPRVKLRI-OAHLLOKOSA-N 2 0 287.407 1.601 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001665642426 1173031502 /nfs/dbraw/zinc/03/15/02/1173031502.db2.gz SWAJVUWGITZEPE-INIZCTEOSA-N 2 0 293.455 1.970 10 0 CDAERP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001665659222 1173033203 /nfs/dbraw/zinc/03/32/03/1173033203.db2.gz JWHWAEXAJRXCOA-CQSZACIVSA-N 2 0 267.417 1.271 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)c1ccc(C[NH3+])o1 ZINC000653175933 412116978 /nfs/dbraw/zinc/11/69/78/412116978.db2.gz GEBRQRDXNYQYKS-UHFFFAOYSA-N 2 0 267.373 1.446 10 0 CDAERP Cc1ccccc1[C@@H]([NH3+])C(=O)NCCC1(C[NH3+])CC1 ZINC000653221461 412148366 /nfs/dbraw/zinc/14/83/66/412148366.db2.gz XWSRKWRYHLDPBV-CYBMUJFWSA-N 2 0 261.369 1.240 10 0 CDAERP [NH3+]C1(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)CC2(CCC2)C1 ZINC000662819836 413543021 /nfs/dbraw/zinc/54/30/21/413543021.db2.gz HMFBZJNTCDOCHC-GFCCVEGCSA-N 2 0 277.412 1.439 10 0 CDAERP [NH3+]C[C@H](C[N@@H+]1CCCC[C@@H]1CCO)c1ccccc1 ZINC000035731336 172381745 /nfs/dbraw/zinc/38/17/45/172381745.db2.gz IBGLUICCXCSTRP-HZPDHXFCSA-N 2 0 262.397 1.966 10 0 CDAERP CCO[C@@H]1C[N@H+](Cc2cccc(COC)c2)C[C@H]1C[NH3+] ZINC000405414265 413582314 /nfs/dbraw/zinc/58/23/14/413582314.db2.gz BFTLQYINWJFGON-HZPDHXFCSA-N 2 0 278.396 1.629 10 0 CDAERP CC(C)[N@H+](C)C[C@@H](O)C[NH2+]CC[C@]1(C)CC1(F)F ZINC000656714989 413590267 /nfs/dbraw/zinc/59/02/67/413590267.db2.gz POIIXEBTRWFSFM-NWDGAFQWSA-N 2 0 264.360 1.713 10 0 CDAERP COC[C@@H](C)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656783612 413652577 /nfs/dbraw/zinc/65/25/77/413652577.db2.gz RFYLKHOPQWFNIF-ZFWWWQNUSA-N 2 0 254.418 1.981 10 0 CDAERP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000659303757 413693454 /nfs/dbraw/zinc/69/34/54/413693454.db2.gz VHXJRYFNCGPXOJ-JMSVASOKSA-N 2 0 273.380 1.417 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000659424409 413805468 /nfs/dbraw/zinc/80/54/68/413805468.db2.gz UTVIBZUURYJCEY-CYBMUJFWSA-N 2 0 298.475 1.968 10 0 CDAERP C[C@@H](C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)[C@H](C)[NH3+] ZINC000659367042 413748328 /nfs/dbraw/zinc/74/83/28/413748328.db2.gz LBWBBWNMLASUCJ-UHIISALHSA-N 2 0 277.368 1.269 10 0 CDAERP C[NH+](C)CC1(CNC(=O)N2CC3CC2(C[NH3+])C3)CCCC1 ZINC000659480072 413868119 /nfs/dbraw/zinc/86/81/19/413868119.db2.gz DQDUWBHFHWFKNC-UHFFFAOYSA-N 2 0 294.443 1.241 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659492965 413880841 /nfs/dbraw/zinc/88/08/41/413880841.db2.gz BNRVMGMNRHPPJL-OPFPJEHXSA-N 2 0 282.432 1.240 10 0 CDAERP C[C@H](NC(=O)NCC12CC(C1)C[NH2+]2)C(C)(C)C[NH+](C)C ZINC000659465617 413852996 /nfs/dbraw/zinc/85/29/96/413852996.db2.gz ANCMUEAMXKZSLH-BZUNDVKYSA-N 2 0 282.432 1.014 10 0 CDAERP O=C(NCCC[NH+]1CCCC1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407318637 413927472 /nfs/dbraw/zinc/92/74/72/413927472.db2.gz QHZBCWSFTCVGHV-ZIAGYGMSSA-N 2 0 265.401 1.119 10 0 CDAERP CC[NH+](CC)CCC[NH2+][C@H](CO)[C@@H]1CCC[C@@H](OC)C1 ZINC000661213786 413892717 /nfs/dbraw/zinc/89/27/17/413892717.db2.gz DFFOWRAXURSFJA-BZUAXINKSA-N 2 0 286.460 1.874 10 0 CDAERP C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1cnn(C)c1)[C@H]1CCC[NH2+]1 ZINC000665273121 414005214 /nfs/dbraw/zinc/00/52/14/414005214.db2.gz QFPMFTLKOTVJSB-HNKHHVNMSA-N 2 0 276.428 1.861 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659560334 413971225 /nfs/dbraw/zinc/97/12/25/413971225.db2.gz YEQHCKJYVCNQSR-UHFFFAOYSA-N 2 0 282.432 1.016 10 0 CDAERP FC1(F)C[C@@H]1OCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000665244400 413971825 /nfs/dbraw/zinc/97/18/25/413971825.db2.gz MKBOQXCSMFMXNE-YFKTTZPYSA-N 2 0 260.328 1.388 10 0 CDAERP C([NH2+][C@H]1CCCC[C@@H]1[C@@H]1CCOC1)C12CC(C1)C[NH2+]2 ZINC000665280298 414020236 /nfs/dbraw/zinc/02/02/36/414020236.db2.gz YBWMQMNQMSFUHB-PQARUHEFSA-N 2 0 264.413 1.923 10 0 CDAERP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@@H]2CCCc3ccccc3C2)n1 ZINC000665294316 414033079 /nfs/dbraw/zinc/03/30/79/414033079.db2.gz MJKVFCJFXKBGBU-CQSZACIVSA-N 2 0 298.390 1.678 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000659623874 414034818 /nfs/dbraw/zinc/03/48/18/414034818.db2.gz MCVJDPKKHRWVGV-LSDHHAIUSA-N 2 0 296.459 1.487 10 0 CDAERP C[C@@H](CCNC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)[NH+](C)C ZINC000665355553 414096575 /nfs/dbraw/zinc/09/65/75/414096575.db2.gz YGQPIVHDMAFAAO-QWHCGFSZSA-N 2 0 284.448 1.499 10 0 CDAERP CCn1nnc(C)c1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655825114 414229966 /nfs/dbraw/zinc/22/99/66/414229966.db2.gz XIEDSMJZIBUMOK-TXEJJXNPSA-N 2 0 251.378 1.036 10 0 CDAERP C[C@@H]1C[C@@H](C)C[NH+](CCN2CCC([NH+](C)C)CC2)C1 ZINC000659839863 414171680 /nfs/dbraw/zinc/17/16/80/414171680.db2.gz ZBKZZSXWTRORGA-HUUCEWRRSA-N 2 0 267.461 1.990 10 0 CDAERP C[C@H]1C[C@H](C)C[NH+](CCN2CC[NH+](C3CC3)CC2)C1 ZINC000659857875 414191978 /nfs/dbraw/zinc/19/19/78/414191978.db2.gz UQLCKVRYVZLSAR-GJZGRUSLSA-N 2 0 265.445 1.744 10 0 CDAERP CCC[NH+]1CCC([NH2+]C[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000655802712 414195326 /nfs/dbraw/zinc/19/53/26/414195326.db2.gz ICTMCJBSPKDPMU-HRCADAONSA-N 2 0 297.487 1.948 10 0 CDAERP CCn1ccnc1[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655803848 414198884 /nfs/dbraw/zinc/19/88/84/414198884.db2.gz FDYDRCPQRXXKCJ-RWMBFGLXSA-N 2 0 250.390 1.894 10 0 CDAERP CO[C@@](C)(CO)C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000655809124 414212153 /nfs/dbraw/zinc/21/21/53/414212153.db2.gz RAAPBLXEACNDCY-MRXNPFEDSA-N 2 0 296.411 1.114 10 0 CDAERP CC[C@H]1C[C@@H]([NH2+]CCN2CCC([NH+](C)C)CC2)CO1 ZINC000657387745 414270118 /nfs/dbraw/zinc/27/01/18/414270118.db2.gz ZMRVDSMHTHQDRU-HIFRSBDPSA-N 2 0 269.433 1.170 10 0 CDAERP O[C@]1(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CCCOC1 ZINC000659944581 414282964 /nfs/dbraw/zinc/28/29/64/414282964.db2.gz MSQRWDHWKANGMV-HOTGVXAUSA-N 2 0 282.428 1.478 10 0 CDAERP CCC(=O)N1CC[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657400215 414286589 /nfs/dbraw/zinc/28/65/89/414286589.db2.gz GPNXRCILXPVAHD-CYBMUJFWSA-N 2 0 299.378 1.368 10 0 CDAERP C[NH+]1CCC(C)(C[NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC000657430433 414324674 /nfs/dbraw/zinc/32/46/74/414324674.db2.gz NWDWCHXJPUCFCO-UHFFFAOYSA-N 2 0 262.401 1.651 10 0 CDAERP O[C@H]1CC[N@@H+](C2CC[NH+](CC[C@@H]3CCCCO3)CC2)C1 ZINC000662149742 414537633 /nfs/dbraw/zinc/53/76/33/414537633.db2.gz QFBSIXIXRBSALK-HOTGVXAUSA-N 2 0 282.428 1.477 10 0 CDAERP OCC[C@@H]1CSCC[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662257978 414592963 /nfs/dbraw/zinc/59/29/63/414592963.db2.gz HDYZMIUQWYQACP-OAHLLOKOSA-N 2 0 292.448 1.632 10 0 CDAERP CC[C@@](C)([NH2+]C[C@H]1CCC2(C[NH2+]C2)O1)c1nccs1 ZINC000662264556 414601190 /nfs/dbraw/zinc/60/11/90/414601190.db2.gz QWYDPNYUGHIKRL-DGCLKSJQSA-N 2 0 281.425 1.879 10 0 CDAERP CC(=O)N[C@H]1CC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000662299806 414624995 /nfs/dbraw/zinc/62/49/95/414624995.db2.gz XLHJWVVZNFTDEE-INIZCTEOSA-N 2 0 273.380 1.043 10 0 CDAERP CCCN(C)CC(C)(C)[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC000662177573 414553948 /nfs/dbraw/zinc/55/39/48/414553948.db2.gz JPXMBHCWZLUFHA-ZDUSSCGKSA-N 2 0 290.473 1.521 10 0 CDAERP CCC[C@@H](c1ccccc1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038030970 174023945 /nfs/dbraw/zinc/02/39/45/174023945.db2.gz URLFPPOASWTXKU-INIZCTEOSA-N 2 0 289.423 1.891 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)[C@@](C)([NH3+])C2CC2)CC1 ZINC000038100792 174115654 /nfs/dbraw/zinc/11/56/54/174115654.db2.gz UPGFDBGPYSGNQB-HNNXBMFYSA-N 2 0 267.417 1.447 10 0 CDAERP Cc1nc(C)c([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)c(=O)[nH]1 ZINC000040623504 174356013 /nfs/dbraw/zinc/35/60/13/174356013.db2.gz BXLJYXQKBBGVGZ-SMDDNHRTSA-N 2 0 292.427 1.768 10 0 CDAERP [NH3+]C[C@]1(N2CCC([NH+]3CCCCC3)CC2)CCSC1 ZINC000040693861 174377935 /nfs/dbraw/zinc/37/79/35/174377935.db2.gz DWQIZBBAUQDGTI-OAHLLOKOSA-N 2 0 283.485 1.771 10 0 CDAERP CCNC(=O)[C@H](C)[NH2+]C1[C@@H]2CCC[C@H]1C[N@H+](C(C)C)C2 ZINC000040769199 174399264 /nfs/dbraw/zinc/39/92/64/174399264.db2.gz VZOCETJCCBXVFH-RDGKXADDSA-N 2 0 281.444 1.610 10 0 CDAERP CC(C)[N@H+]1C[C@H]2CCC[C@@H](C1)C2[NH2+]CCC(=O)N(C)C ZINC000040769291 174399618 /nfs/dbraw/zinc/39/96/18/174399618.db2.gz BLWXDJMEBCBQSU-MZBDJJRSSA-N 2 0 281.444 1.563 10 0 CDAERP C[NH+](C)CCC(=O)NCCCCC[NH+]1CCCCC1 ZINC000041536284 174566206 /nfs/dbraw/zinc/56/62/06/174566206.db2.gz XVTZBSISJPZJFN-UHFFFAOYSA-N 2 0 269.433 1.711 10 0 CDAERP CCC[NH+]1CCN([C@H](c2ccccn2)[C@H](C)[NH3+])CC1 ZINC000043338833 175013173 /nfs/dbraw/zinc/01/31/73/175013173.db2.gz QQISLEFVYLISFR-ZFWWWQNUSA-N 2 0 262.401 1.498 10 0 CDAERP CCC[NH+]1CCN(C[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000043595984 175076979 /nfs/dbraw/zinc/07/69/79/175076979.db2.gz YOFFKAIVWGOMST-KRWDZBQOSA-N 2 0 273.424 1.901 10 0 CDAERP CCOC(=O)[C@H](C)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043615515 175079776 /nfs/dbraw/zinc/07/97/76/175079776.db2.gz PVUYBXXHEPGCOL-GFCCVEGCSA-N 2 0 256.390 1.459 10 0 CDAERP O=C(Nc1cccc(C[NH+]2CCCC2)c1)[C@H]1C[NH2+]CCO1 ZINC000043708668 175101347 /nfs/dbraw/zinc/10/13/47/175101347.db2.gz BFSCRLRQBDJYAY-OAHLLOKOSA-N 2 0 289.379 1.209 10 0 CDAERP CC[NH+]1CCN(C[C@@H]([NH2+]C)c2ccccc2OC)CC1 ZINC000043805749 175107921 /nfs/dbraw/zinc/10/79/21/175107921.db2.gz DKKZDESOFPXFFJ-OAHLLOKOSA-N 2 0 277.412 1.593 10 0 CDAERP CC[NH2+][C@H]1c2ccccc2C[C@H]1N1CC[NH+](C)CC1 ZINC000043810762 175109990 /nfs/dbraw/zinc/10/99/90/175109990.db2.gz DSBHRXZNPJHSSJ-CVEARBPZSA-N 2 0 259.397 1.509 10 0 CDAERP CC[NH2+][C@H]1CCN(C[C@@H]2CCC[N@H+](C)C2)C[C@@H]1C ZINC000044537385 175199496 /nfs/dbraw/zinc/19/94/96/175199496.db2.gz MNTWTCRQUSKHBF-ZNMIVQPWSA-N 2 0 253.434 1.648 10 0 CDAERP CC(=O)N1CCC([NH2+]CCCC[N@@H+](C)C(C)C)CC1 ZINC000044573273 175210234 /nfs/dbraw/zinc/21/02/34/175210234.db2.gz SSVMILQRTFBEFW-UHFFFAOYSA-N 2 0 269.433 1.707 10 0 CDAERP CCC[NH2+]CC(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000044646642 175223356 /nfs/dbraw/zinc/22/33/56/175223356.db2.gz LUJONBSXRIHBIJ-HNNXBMFYSA-N 2 0 293.411 1.414 10 0 CDAERP CC[NH+]1CCC([C@@H](C)[NH2+][C@@H]2CCN(C3CC3)C2)CC1 ZINC000044685769 175231313 /nfs/dbraw/zinc/23/13/13/175231313.db2.gz JCMOHWLMNZKGOY-UKRRQHHQSA-N 2 0 265.445 1.933 10 0 CDAERP CC[NH+](CC)CCC[C@H](C)NC(=O)C1(C[NH3+])CCOCC1 ZINC000044762223 175246434 /nfs/dbraw/zinc/24/64/34/175246434.db2.gz IOLSTYFUSMPMTJ-AWEZNQCLSA-N 2 0 299.459 1.369 10 0 CDAERP [NH3+]CC1(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CCCCCC1 ZINC000044764451 175248533 /nfs/dbraw/zinc/24/85/33/175248533.db2.gz OCKKLZOVRPWHLA-CYBMUJFWSA-N 2 0 279.428 1.639 10 0 CDAERP COCC[C@@](C)(CN)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000045043585 175295600 /nfs/dbraw/zinc/29/56/00/175295600.db2.gz JAFDLAPYYCCJOF-AWEZNQCLSA-N 2 0 257.422 1.014 10 0 CDAERP CCCNC(=O)CC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C)C1 ZINC000045072511 175302098 /nfs/dbraw/zinc/30/20/98/175302098.db2.gz MJPBTMLLZXJECJ-CHWSQXEVSA-N 2 0 255.406 1.223 10 0 CDAERP CCOC(=O)[C@@](C)([NH3+])CCC[N@H+](C)C1CCN(C)CC1 ZINC000045379330 175368026 /nfs/dbraw/zinc/36/80/26/175368026.db2.gz BOJJUUPLACJGEZ-HNNXBMFYSA-N 2 0 285.432 1.073 10 0 CDAERP CCOC(=O)[C@](C)([NH3+])CCCC[N@@H+]1CCOC[C@@H]1C ZINC000045389460 175373585 /nfs/dbraw/zinc/37/35/85/175373585.db2.gz SLDVURAXDZTDAE-GXTWGEPZSA-N 2 0 272.389 1.158 10 0 CDAERP COC1CC[NH+](CCCC[C@](C)([NH2+]C(C)C)C(N)=O)CC1 ZINC000045389051 175373941 /nfs/dbraw/zinc/37/39/41/175373941.db2.gz JWKRUHLHSNBTRC-INIZCTEOSA-N 2 0 299.459 1.510 10 0 CDAERP CCC[NH2+][C@@](C)(CCC[N@H+](C)CC1CC1)C(N)=O ZINC000045419971 175377952 /nfs/dbraw/zinc/37/79/52/175377952.db2.gz CQVWRTHIEASQFJ-AWEZNQCLSA-N 2 0 255.406 1.352 10 0 CDAERP CC(C)[C@H]1C[C@](C[NH3+])(N2CCC([NH+](C)C)CC2)CCO1 ZINC000070363620 175892494 /nfs/dbraw/zinc/89/24/94/175892494.db2.gz VYLXGPCCZMRKCZ-HZPDHXFCSA-N 2 0 283.460 1.545 10 0 CDAERP CC(C)[NH2+][C@@](C)(CO)C[C@H](C)N1CC[NH+](C(C)C)CC1 ZINC000070513414 175961668 /nfs/dbraw/zinc/96/16/68/175961668.db2.gz OOJZHLJIVJZLPA-JKSUJKDBSA-N 2 0 285.476 1.540 10 0 CDAERP CC[NH2+][C@H]1CCCN(C[C@@H](C)C[NH+]2CCCC2)C1=O ZINC000071031246 176022594 /nfs/dbraw/zinc/02/25/94/176022594.db2.gz XBUWLYLZKFHUNX-KBPBESRZSA-N 2 0 267.417 1.319 10 0 CDAERP CC[NH2+][C@H]1CCCN([C@H](C)C[NH+]2CCCCC2)C1=O ZINC000071037389 176025924 /nfs/dbraw/zinc/02/59/24/176025924.db2.gz XDGBIBKEEPMXSE-KGLIPLIRSA-N 2 0 267.417 1.461 10 0 CDAERP C[NH2+]C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2OC)C1 ZINC000071145409 176042084 /nfs/dbraw/zinc/04/20/84/176042084.db2.gz HIHYILMIJIJILN-CYBMUJFWSA-N 2 0 291.395 1.565 10 0 CDAERP C[C@H](c1ccsc1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071148963 176044426 /nfs/dbraw/zinc/04/44/26/176044426.db2.gz NMRAUDVYVNVIQJ-GFCCVEGCSA-N 2 0 253.415 1.646 10 0 CDAERP C[C@@H](c1ccc2c(c1)OCO2)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071148603 176044827 /nfs/dbraw/zinc/04/48/27/176044827.db2.gz ZCWZDLJYUUBADZ-ZDUSSCGKSA-N 2 0 291.395 1.313 10 0 CDAERP CCC[NH2+][C@H](C)C1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000071182595 176057539 /nfs/dbraw/zinc/05/75/39/176057539.db2.gz JGWJWWDKHVURFL-OCCSQVGLSA-N 2 0 267.417 1.317 10 0 CDAERP CC[C@H]1CC[C@H]([NH3+])[C@H](N(C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071188699 176063661 /nfs/dbraw/zinc/06/36/61/176063661.db2.gz UXNZCZFFWMWSLN-LJISPDSOSA-N 2 0 253.434 1.776 10 0 CDAERP C[C@@H]([C@H]([NH3+])c1ccccc1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188738 176063832 /nfs/dbraw/zinc/06/38/32/176063832.db2.gz VRYPPXZXXXNQMH-LZWOXQAQSA-N 2 0 261.413 1.958 10 0 CDAERP CN(C[C@H]1CC[N@H+](C)C1)C(=O)CC[NH2+]C(C)(C)C ZINC000071189758 176065558 /nfs/dbraw/zinc/06/55/58/176065558.db2.gz QPXBOKLMPUGUGC-LBPRGKRZSA-N 2 0 255.406 1.175 10 0 CDAERP C[NH2+]Cc1nc(CN(C)C[C@@H]2CC[N@H+](C)C2)cs1 ZINC000071192008 176071810 /nfs/dbraw/zinc/07/18/10/176071810.db2.gz PIABFZMZYRYWNC-LLVKDONJSA-N 2 0 268.430 1.246 10 0 CDAERP C[NH2+]Cc1occc1CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191890 176072612 /nfs/dbraw/zinc/07/26/12/176072612.db2.gz PZUWKLQTNSPFFH-GFCCVEGCSA-N 2 0 251.374 1.383 10 0 CDAERP CN(C[C@H]1CC[N@H+](C)C1)c1nc2c(s1)[C@H]([NH3+])CCC2 ZINC000071192530 176074931 /nfs/dbraw/zinc/07/49/31/176074931.db2.gz VKROXJDTGTZVAX-WDEREUQCSA-N 2 0 280.441 1.867 10 0 CDAERP C[C@@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071193281 176075444 /nfs/dbraw/zinc/07/54/44/176075444.db2.gz UOCZHELNFIJMPE-YIYPIFLZSA-N 2 0 267.417 1.160 10 0 CDAERP C[NH+](C)CC(C)(C)CN1CCC[C@@H]([NH2+]C2CC2)C1 ZINC000071197763 176076933 /nfs/dbraw/zinc/07/69/33/176076933.db2.gz JGBAVNLQEITRFW-CQSZACIVSA-N 2 0 253.434 1.791 10 0 CDAERP CC(C)[NH2+][C@H]1CCN([C@@H](C)C[NH+]2CCCCC2)C1 ZINC000071201497 176078258 /nfs/dbraw/zinc/07/82/58/176078258.db2.gz ZSWJXXPGXCBWBB-GJZGRUSLSA-N 2 0 253.434 1.933 10 0 CDAERP CCN(C(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)[C@@H]1CC[NH2+]C1 ZINC000071312405 176119409 /nfs/dbraw/zinc/11/94/09/176119409.db2.gz AJNOINWIFXDGQK-RFQIPJPRSA-N 2 0 267.417 1.458 10 0 CDAERP CC[C@@H]1CC[C@@H](C[NH3+])[C@H](N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000071380454 176144849 /nfs/dbraw/zinc/14/48/49/176144849.db2.gz CLBMEKOCIZZHSH-OWCLPIDISA-N 2 0 297.487 1.529 10 0 CDAERP CCC[C@](C)(C[NH2+]CC)CN1CC[NH+](CC(C)(C)O)CC1 ZINC000071381819 176145565 /nfs/dbraw/zinc/14/55/65/176145565.db2.gz YZVVUIWBKHRVRO-QGZVFWFLSA-N 2 0 299.503 1.791 10 0 CDAERP CO[C@]1(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CCSC1 ZINC000719312193 686806156 /nfs/dbraw/zinc/80/61/56/686806156.db2.gz BRDICUINJCKRPA-AGIUHOORSA-N 2 0 258.431 1.581 10 0 CDAERP C[C@H](CC[NH3+])CCC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000079119958 177437784 /nfs/dbraw/zinc/43/77/84/177437784.db2.gz DMFCZTGNTUAXTO-KBPBESRZSA-N 2 0 269.433 1.600 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CCC[NH2+]CC1 ZINC000335211892 287389611 /nfs/dbraw/zinc/38/96/11/287389611.db2.gz ZHGLQVNZDJXEPE-ZIAGYGMSSA-N 2 0 282.432 1.254 10 0 CDAERP CC[C@H](C(=O)N[C@@](C)(C[NH2+]CCF)C1CC1)[NH+](C)C ZINC001666004119 1173100003 /nfs/dbraw/zinc/10/00/03/1173100003.db2.gz CHYOCMFMYZDHRP-OCCSQVGLSA-N 2 0 273.396 1.171 10 0 CDAERP C[N@H+](CCOc1ccc(F)cc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249683 423793037 /nfs/dbraw/zinc/79/30/37/423793037.db2.gz XJTAMACIRDYKRO-HNNXBMFYSA-N 2 0 294.370 1.657 10 0 CDAERP c1ccc([C@H]2CC[N@@H+](C[C@H]3CCC4(C[NH2+]C4)O3)C2)cc1 ZINC000662251858 423794636 /nfs/dbraw/zinc/79/46/36/423794636.db2.gz KFHUUWHVCSLAKN-JKSUJKDBSA-N 2 0 272.392 1.997 10 0 CDAERP C[C@@H]1C[C@H](C)[N@H+](CCO[C@@H]2CC2(F)F)C[C@@H]1C[NH3+] ZINC000662282640 423884257 /nfs/dbraw/zinc/88/42/57/423884257.db2.gz IHHMIUXMSRLSOE-NOOOWODRSA-N 2 0 262.344 1.716 10 0 CDAERP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662272200 423825350 /nfs/dbraw/zinc/82/53/50/423825350.db2.gz LYPOYUNDIRYYSQ-XGUBFFRZSA-N 2 0 279.428 1.352 10 0 CDAERP C[NH2+]C[C@H](C)NC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000659522786 423891951 /nfs/dbraw/zinc/89/19/51/423891951.db2.gz FQRQCHRSSBIPJY-WDEREUQCSA-N 2 0 264.373 1.113 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000652204593 424025802 /nfs/dbraw/zinc/02/58/02/424025802.db2.gz XPJLOGSRDUSJSG-ZDUSSCGKSA-N 2 0 290.411 1.205 10 0 CDAERP C[C@@H]1CN(C(=O)NCCC2(C[NH3+])CC2)CC[N@@H+](C2CC2)C1 ZINC000652233254 424105275 /nfs/dbraw/zinc/10/52/75/424105275.db2.gz QKEFRGMACYYSQF-ZDUSSCGKSA-N 2 0 294.443 1.241 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652233114 424106824 /nfs/dbraw/zinc/10/68/24/424106824.db2.gz NBAMRULYMGCRHW-ZDUSSCGKSA-N 2 0 282.432 1.241 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCC2(C[NH3+])CC2)C[C@H]1C ZINC000652240095 424119689 /nfs/dbraw/zinc/11/96/89/424119689.db2.gz PHKGOLNGKDYCHI-ZIAGYGMSSA-N 2 0 296.459 1.630 10 0 CDAERP CN(CC[NH+]1CCCCC1)C(=O)c1ccc(C[NH3+])cc1 ZINC000653274318 424221227 /nfs/dbraw/zinc/22/12/27/424221227.db2.gz CRKYAIBCSSVALA-UHFFFAOYSA-N 2 0 275.396 1.703 10 0 CDAERP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653055670 424180903 /nfs/dbraw/zinc/18/09/03/424180903.db2.gz JWFFMBPKSMUTIN-AGIUHOORSA-N 2 0 253.390 1.151 10 0 CDAERP O=C(NCCC1CC[NH2+]CC1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000652323620 424237935 /nfs/dbraw/zinc/23/79/35/424237935.db2.gz LMQDQNGMZXLFGA-GASCZTMLSA-N 2 0 294.443 1.017 10 0 CDAERP CCO[C@@H]1C[N@H+](CCO[C@@H]2CCCC[C@@H]2C)C[C@H]1C[NH3+] ZINC000652357523 424306603 /nfs/dbraw/zinc/30/66/03/424306603.db2.gz VDJWXRHJTIUPGL-ZJIFWQFVSA-N 2 0 284.444 1.877 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662702061 424341810 /nfs/dbraw/zinc/34/18/10/424341810.db2.gz WKFZKPWMQZSUCV-UHFFFAOYSA-N 2 0 267.417 1.509 10 0 CDAERP C[C@@H]1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)[C@H](C[NH3+])C1 ZINC000662702367 424344403 /nfs/dbraw/zinc/34/44/03/424344403.db2.gz YGZSVBZTSZJMLX-KFWWJZLASA-N 2 0 281.444 1.837 10 0 CDAERP O=C(N1CC[C@@H](C[NH+]2CCCC2)C1)C1([NH2+]C2CC2)CCC1 ZINC000662743813 424399598 /nfs/dbraw/zinc/39/95/98/424399598.db2.gz UULBGIOQBZRGCV-AWEZNQCLSA-N 2 0 291.439 1.605 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)NC2CC[NH+](C3CCC3)CC2)C1 ZINC000652417629 424410185 /nfs/dbraw/zinc/41/01/85/424410185.db2.gz DWCVKRWTTJKENP-AWEZNQCLSA-N 2 0 294.443 1.397 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000660865130 424418404 /nfs/dbraw/zinc/41/84/04/424418404.db2.gz DZMGOIUZOCHYAO-CQSZACIVSA-N 2 0 298.475 1.890 10 0 CDAERP CC(C)([NH3+])c1cc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)on1 ZINC000662765817 424426776 /nfs/dbraw/zinc/42/67/76/424426776.db2.gz ISMHYANHBQSOCW-DCAQKATOSA-N 2 0 292.383 1.068 10 0 CDAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[C@@H](C)SC1 ZINC000655757603 424446703 /nfs/dbraw/zinc/44/67/03/424446703.db2.gz UXAMRUYXROCFTB-RBSFLKMASA-N 2 0 285.501 1.886 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000655489544 424507764 /nfs/dbraw/zinc/50/77/64/424507764.db2.gz SYWZHQTYFUTGHW-BYCMXARLSA-N 2 0 293.386 1.324 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000665263954 424478949 /nfs/dbraw/zinc/47/89/49/424478949.db2.gz YUZDWLVRGPWGPS-BBWFWOEESA-N 2 0 292.423 1.903 10 0 CDAERP CCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001667238559 1173248719 /nfs/dbraw/zinc/24/87/19/1173248719.db2.gz MTDJQMYQKQNUBD-CABCVRRESA-N 2 0 281.444 1.851 10 0 CDAERP CN(CC[N@H+](C)CC1=CCCCC1)C(=O)[C@@H]1CCC[NH+]1C ZINC001667546682 1173286714 /nfs/dbraw/zinc/28/67/14/1173286714.db2.gz ZSEPGKSETSHQQG-INIZCTEOSA-N 2 0 293.455 1.971 10 0 CDAERP C[N@H+](CCCn1ccnc1)C[C@H](O)CC(F)(F)F ZINC000189784853 270280747 /nfs/dbraw/zinc/28/07/47/270280747.db2.gz RYKLLTUJUDXKRF-SNVBAGLBSA-N 2 0 265.279 1.518 10 0 CDAERP CC(C)[NH2+]CCCNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000514721978 270405399 /nfs/dbraw/zinc/40/53/99/270405399.db2.gz IWNLXXQUBARHJW-CYBMUJFWSA-N 2 0 292.427 1.894 10 0 CDAERP [NH3+]CCN1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000530225287 271167383 /nfs/dbraw/zinc/16/73/83/271167383.db2.gz VEULWHNASROWSA-UHFFFAOYSA-N 2 0 278.400 1.940 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530249816 271183025 /nfs/dbraw/zinc/18/30/25/271183025.db2.gz YZQNRTRDXJNHFX-HOTGVXAUSA-N 2 0 283.460 1.450 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000357874405 287681940 /nfs/dbraw/zinc/68/19/40/287681940.db2.gz JDSXLWDBGVYDQE-WXLSXGNJSA-N 2 0 293.455 1.992 10 0 CDAERP CC(C)[C@H](CO)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000348297569 276018853 /nfs/dbraw/zinc/01/88/53/276018853.db2.gz ZQZZFKVDNRVQGD-GBJTYRQASA-N 2 0 254.418 1.713 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000417832201 276107073 /nfs/dbraw/zinc/10/70/73/276107073.db2.gz KXFHCCXSMDFYLD-STQMWFEESA-N 2 0 267.417 1.398 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000449826168 277081306 /nfs/dbraw/zinc/08/13/06/277081306.db2.gz QVTXZLSOJATURP-JKSUJKDBSA-N 2 0 293.455 1.994 10 0 CDAERP C[NH2+]CCC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261554164 277265405 /nfs/dbraw/zinc/26/54/05/277265405.db2.gz TZYCUGPCIMKMPM-OAHLLOKOSA-N 2 0 275.396 1.329 10 0 CDAERP C[C@H]([NH2+][C@@H]1CCCNC1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411512050 278271637 /nfs/dbraw/zinc/27/16/37/278271637.db2.gz AGBFNTVCZWKNLH-KCQAQPDRSA-N 2 0 279.428 1.508 10 0 CDAERP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000252544816 288103539 /nfs/dbraw/zinc/10/35/39/288103539.db2.gz ISMJCKAQLJSOPA-LJIZCISZSA-N 2 0 281.444 1.168 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000245423059 279299833 /nfs/dbraw/zinc/29/98/33/279299833.db2.gz JFVKARPHGUGZFL-JHJVBQTASA-N 2 0 253.390 1.057 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C3CC3)CC2)C1 ZINC000338768575 279318225 /nfs/dbraw/zinc/31/82/25/279318225.db2.gz ZHVHGLPOEVRHHF-AWEZNQCLSA-N 2 0 279.428 1.461 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371244059 279350953 /nfs/dbraw/zinc/35/09/53/279350953.db2.gz MHKORKBPSDBFOM-KBPBESRZSA-N 2 0 267.417 1.317 10 0 CDAERP O=C([C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)N1CCC2(CC[NH2+]2)CC1 ZINC000422545955 280113882 /nfs/dbraw/zinc/11/38/82/280113882.db2.gz YGXLWZTUZPYUEU-MCIONIFRSA-N 2 0 277.412 1.262 10 0 CDAERP CCC[C@H](C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1)[NH+](C)C ZINC000245642525 280225485 /nfs/dbraw/zinc/22/54/85/280225485.db2.gz BJDNNPSRXPTXAN-RBSFLKMASA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CC1CC[NH2+]CC1 ZINC000094440127 288289868 /nfs/dbraw/zinc/28/98/68/288289868.db2.gz AOPDBDQEKGQXRJ-UKRRQHHQSA-N 2 0 279.428 1.461 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000251837289 288292557 /nfs/dbraw/zinc/29/25/57/288292557.db2.gz QCCNNQMOSHQSNY-RBSFLKMASA-N 2 0 291.439 1.461 10 0 CDAERP CC(C)c1ncc2c(n1)CC[N@@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000527616640 281159890 /nfs/dbraw/zinc/15/98/90/281159890.db2.gz JJRGRGKCQRYKGO-ZDUSSCGKSA-N 2 0 274.412 1.958 10 0 CDAERP Cc1cncn1CC(=O)NCCn1c(C)nc2ccccc21 ZINC000527706023 281172601 /nfs/dbraw/zinc/17/26/01/281172601.db2.gz VXIRDSHUZHJCHH-UHFFFAOYSA-N 2 0 297.362 1.666 10 0 CDAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(C[NH3+])cc1 ZINC000186463962 281191810 /nfs/dbraw/zinc/19/18/10/281191810.db2.gz DAJGYHIEFQDBOL-JKSUJKDBSA-N 2 0 287.407 1.844 10 0 CDAERP C[NH+](C)CCCC[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094635749 289111783 /nfs/dbraw/zinc/11/17/83/289111783.db2.gz IKLPFBAKNGOGKQ-STQMWFEESA-N 2 0 276.446 1.274 10 0 CDAERP CC(=O)NC1CCC([NH2+][C@@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000155238191 289232335 /nfs/dbraw/zinc/23/23/35/289232335.db2.gz TXBJBEASESBCON-VYESFELBSA-N 2 0 279.428 1.649 10 0 CDAERP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000246809838 289293978 /nfs/dbraw/zinc/29/39/78/289293978.db2.gz BPPCHVQYSAKQHC-YJNKXOJESA-N 2 0 279.428 1.460 10 0 CDAERP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353532437 290140082 /nfs/dbraw/zinc/14/00/82/290140082.db2.gz WSWVYIJHLOWGIR-LXFSFDBISA-N 2 0 254.418 1.856 10 0 CDAERP CC(C)[NH+]1CCN(CCC[N@H+]2[C@H](C)C[C@@H]2C)CC1 ZINC000554556442 290174564 /nfs/dbraw/zinc/17/45/64/290174564.db2.gz JZMRZYJXSGIMSC-GASCZTMLSA-N 2 0 253.434 1.885 10 0 CDAERP C[C@@H]1CCCC[C@H]1C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000560888448 293039829 /nfs/dbraw/zinc/03/98/29/293039829.db2.gz QKCZRVBBQBTRKX-PMPSAXMXSA-N 2 0 283.460 1.011 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000423028955 293098343 /nfs/dbraw/zinc/09/83/43/293098343.db2.gz UFXDGUJLYSPHMO-MELADBBJSA-N 2 0 272.433 1.924 10 0 CDAERP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccc(Cl)c(F)c1 ZINC000562956386 293225696 /nfs/dbraw/zinc/22/56/96/293225696.db2.gz YHVPQCBCIVHZLD-SNVBAGLBSA-N 2 0 299.777 1.562 10 0 CDAERP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000563092203 293270634 /nfs/dbraw/zinc/27/06/34/293270634.db2.gz IQJMVVUVAHMTBJ-IWMBGFJWSA-N 2 0 284.448 1.532 10 0 CDAERP C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000564948632 293467501 /nfs/dbraw/zinc/46/75/01/293467501.db2.gz UHCLKFRZGHZGMA-MJVIPROJSA-N 2 0 261.369 1.434 10 0 CDAERP O=C1C[C@H]([C@H]2CCCC[N@@H+]2CCC2CC[NH2+]CC2)CN1 ZINC000570802276 294310915 /nfs/dbraw/zinc/31/09/15/294310915.db2.gz CWFMZAHFEXWNEI-LSDHHAIUSA-N 2 0 279.428 1.367 10 0 CDAERP COCC[NH2+]C1CC[NH+](C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000570848332 294321934 /nfs/dbraw/zinc/32/19/34/294321934.db2.gz IALYUYWVYIIQOQ-KBPBESRZSA-N 3 0 269.433 1.075 10 0 CDAERP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)CCOCC)CC1 ZINC000571158082 294378612 /nfs/dbraw/zinc/37/86/12/294378612.db2.gz UKXZNZDHUIYFKY-HNNXBMFYSA-N 2 0 272.433 1.486 10 0 CDAERP CCOCC[C@H](O)C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000572356723 294605578 /nfs/dbraw/zinc/60/55/78/294605578.db2.gz SQGTUBOVBRPXQT-NRXISQOPSA-N 2 0 272.433 1.484 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CC1(C[NH3+])CCCCC1 ZINC000262716953 297108559 /nfs/dbraw/zinc/10/85/59/297108559.db2.gz DTKJTRWFUYCZID-CHWSQXEVSA-N 2 0 267.417 1.400 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)[C@H]1C ZINC000414183056 297440778 /nfs/dbraw/zinc/44/07/78/297440778.db2.gz DPLZVHHUMNJWKE-PMPSAXMXSA-N 2 0 295.471 1.417 10 0 CDAERP C[C@H]([NH3+])[C@H]1CCN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)C1 ZINC000334494838 298999853 /nfs/dbraw/zinc/99/98/53/298999853.db2.gz KVOAKAOHKTVBPM-LRDDRELGSA-N 2 0 287.407 1.184 10 0 CDAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCC1([NH+](C)C)CCCC1 ZINC000416830810 300003345 /nfs/dbraw/zinc/00/33/45/300003345.db2.gz RXJJHHIYRRWDIC-QWHCGFSZSA-N 2 0 282.432 1.158 10 0 CDAERP CC/C=C\CC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001669183097 1173515403 /nfs/dbraw/zinc/51/54/03/1173515403.db2.gz LIGRCJWSEUQCQA-MPWKUVCOSA-N 2 0 279.428 1.556 10 0 CDAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)CC1(C[NH3+])CCCCC1 ZINC000262716956 300323949 /nfs/dbraw/zinc/32/39/49/300323949.db2.gz DTKJTRWFUYCZID-STQMWFEESA-N 2 0 267.417 1.400 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+]CCC(F)(F)F ZINC001669440427 1173550840 /nfs/dbraw/zinc/55/08/40/1173550840.db2.gz YZUMTFCZBARYEJ-SNVBAGLBSA-N 2 0 283.338 1.375 10 0 CDAERP CC[C@H](C)C[NH2+]CCCN(C)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001670328607 1173673412 /nfs/dbraw/zinc/67/34/12/1173673412.db2.gz ZJUOBWGNGHFGKL-RDJZCZTQSA-N 2 0 295.471 1.957 10 0 CDAERP [NH3+]C[C@H](c1nc(C2([NH3+])CCC2)no1)c1ccc(F)cc1 ZINC000575802475 317017291 /nfs/dbraw/zinc/01/72/91/317017291.db2.gz PYNCZEAQXRXLBB-NSHDSACASA-N 2 0 276.315 1.637 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001672335230 1173767406 /nfs/dbraw/zinc/76/74/06/1173767406.db2.gz WIQYIZCEGZLZFW-CVEARBPZSA-N 2 0 293.455 1.733 10 0 CDAERP CC[C@H](C)C[NH2+]CC[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001672909383 1173809081 /nfs/dbraw/zinc/80/90/81/1173809081.db2.gz FLURIACALLDTFW-HOTGVXAUSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001673305973 1173844456 /nfs/dbraw/zinc/84/44/56/1173844456.db2.gz QYBWWAYECUXGNN-HNNXBMFYSA-N 2 0 299.459 1.191 10 0 CDAERP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000180990234 323224689 /nfs/dbraw/zinc/22/46/89/323224689.db2.gz DLXYBSDXZPJOTB-UKRRQHHQSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCn1cncn1 ZINC000381858881 323633029 /nfs/dbraw/zinc/63/30/29/323633029.db2.gz DENZYYHYAKSPGA-QWHCGFSZSA-N 2 0 251.378 1.179 10 0 CDAERP FC1(F)CC[NH2+]C[C@@H]1NC1CC[NH+](CC2CC2)CC1 ZINC000579087320 324099127 /nfs/dbraw/zinc/09/91/27/324099127.db2.gz NOWUCIRZRZEQNC-ZDUSSCGKSA-N 2 0 273.371 1.448 10 0 CDAERP c1cc2c(cc1C[N@@H+]1CCOC[C@H]1C1CC1)C[NH2+]CC2 ZINC000579483522 324200528 /nfs/dbraw/zinc/20/05/28/324200528.db2.gz QACBIWSVLGUABT-KRWDZBQOSA-N 2 0 272.392 1.943 10 0 CDAERP O=C(Cn1ccnc1)NCc1ccnc(N2CCCC2)c1 ZINC000582759361 325037511 /nfs/dbraw/zinc/03/75/11/325037511.db2.gz NPETULNESJOOBR-UHFFFAOYSA-N 2 0 285.351 1.195 10 0 CDAERP CC[N@@H+]1CC[C@@H](NC(=O)C[C@@H](C)n2ccnc2)C1 ZINC000582790834 325045505 /nfs/dbraw/zinc/04/55/05/325045505.db2.gz HFFGESSFAUIZPR-VXGBXAGGSA-N 2 0 250.346 1.045 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H](C)CCNC(=O)C[NH+]1CCCC1 ZINC001690879443 1175599051 /nfs/dbraw/zinc/59/90/51/1175599051.db2.gz IIKZXCKEIPIJEP-ZIAGYGMSSA-N 2 0 269.433 1.613 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000250340351 1159246110 /nfs/dbraw/zinc/24/61/10/1159246110.db2.gz BYOPHCFSWYOHHB-ZNMIVQPWSA-N 2 0 281.444 1.707 10 0 CDAERP CCCC[NH2+][C@@H](CC)CNC(=O)C1([NH+](C)C)CCC1 ZINC001698599593 1175864704 /nfs/dbraw/zinc/86/47/04/1175864704.db2.gz FSPHIUJDJZGFMS-ZDUSSCGKSA-N 2 0 269.433 1.755 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]CC1CCC1 ZINC001268717382 1160007591 /nfs/dbraw/zinc/00/75/91/1160007591.db2.gz XZRBIMQSVYMXEI-LBPRGKRZSA-N 2 0 255.406 1.221 10 0 CDAERP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CO[C@H](C3CC3)C2)C1 ZINC000668236378 482224149 /nfs/dbraw/zinc/22/41/49/482224149.db2.gz JHTWBUQQJSZACU-YUELXQCFSA-N 2 0 252.402 1.875 10 0 CDAERP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CO[C@@H](C3CC3)C2)C1 ZINC000668236375 482224216 /nfs/dbraw/zinc/22/42/16/482224216.db2.gz JHTWBUQQJSZACU-BPLDGKMQSA-N 2 0 252.402 1.875 10 0 CDAERP C[C@@H](CCO)[N@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000668291934 482349585 /nfs/dbraw/zinc/34/95/85/482349585.db2.gz YRRQFIPAZQNWFL-LBPRGKRZSA-N 2 0 260.341 1.470 10 0 CDAERP COC[C@H](C)C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000668818362 482351618 /nfs/dbraw/zinc/35/16/18/482351618.db2.gz GTLFACOSEVWEMN-UKRRQHHQSA-N 2 0 254.418 1.981 10 0 CDAERP C(C[C@H]1CCOC1)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000668440696 482438667 /nfs/dbraw/zinc/43/86/67/482438667.db2.gz QMSLMLNCUIEBHQ-INIZCTEOSA-N 2 0 296.455 1.894 10 0 CDAERP [NH3+]Cc1ccc(C(=O)NCC2([NH3+])CCCCCC2)o1 ZINC000669509085 482512281 /nfs/dbraw/zinc/51/22/81/482512281.db2.gz QKDNFXDMUTZRIP-UHFFFAOYSA-N 2 0 265.357 1.520 10 0 CDAERP O=C(C[C@H]1CCC[NH2+]C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000054308248 482550083 /nfs/dbraw/zinc/55/00/83/482550083.db2.gz AKQNJCXNSAZNIZ-MRXNPFEDSA-N 2 0 293.455 1.711 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CC1([NH3+])CCC1 ZINC000094295768 482778906 /nfs/dbraw/zinc/77/89/06/482778906.db2.gz SPSMWRGXAZQJPZ-LBPRGKRZSA-N 2 0 253.390 1.201 10 0 CDAERP [NH3+]Cc1cccc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000094441452 482786362 /nfs/dbraw/zinc/78/63/62/482786362.db2.gz YBVQHYKKKMHJGO-OAHLLOKOSA-N 2 0 288.395 1.847 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000656202080 482790164 /nfs/dbraw/zinc/79/01/64/482790164.db2.gz XZTSVMMSOBLOLA-KKUMJFAQSA-N 2 0 269.433 1.347 10 0 CDAERP C[C@@H]1CC[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)CS1 ZINC000655715797 482817463 /nfs/dbraw/zinc/81/74/63/482817463.db2.gz NTCACADRQNFPGP-NEPJUHHUSA-N 2 0 258.431 1.317 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCc2nc[nH]c2C1)C[NH+]1CCCC1 ZINC000666757173 482899031 /nfs/dbraw/zinc/89/90/31/482899031.db2.gz ZDGHPAVLRRHJHV-QWHCGFSZSA-N 2 0 290.411 1.363 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000249932604 483012030 /nfs/dbraw/zinc/01/20/30/483012030.db2.gz DZUKQPHVTULUIX-MJBXVCDLSA-N 2 0 267.417 1.304 10 0 CDAERP COCC[NH+](CCOC)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211946051 483023512 /nfs/dbraw/zinc/02/35/12/483023512.db2.gz CSJUFTFERCFTCQ-UHFFFAOYSA-N 2 0 278.396 1.427 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089450914 483077410 /nfs/dbraw/zinc/07/74/10/483077410.db2.gz QELNILCBEOBCLP-GXTWGEPZSA-N 2 0 267.417 1.304 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089457581 483081054 /nfs/dbraw/zinc/08/10/54/483081054.db2.gz NEVOZLXMDSHMFC-UONOGXRCSA-N 2 0 267.417 1.162 10 0 CDAERP CC(C)[C@@H]([NH3+])CNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000667148688 483110717 /nfs/dbraw/zinc/11/07/17/483110717.db2.gz NSTUENGSYYQDGS-ZDUSSCGKSA-N 2 0 288.355 1.372 10 0 CDAERP C[N@H+](CC1(F)CC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457268 483132732 /nfs/dbraw/zinc/13/27/32/483132732.db2.gz RIXRYRBHSOYWHN-AWEZNQCLSA-N 2 0 269.408 1.589 10 0 CDAERP CC[C@@]1(O)CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668013609 483527933 /nfs/dbraw/zinc/52/79/33/483527933.db2.gz BAZLQWLIRFXGQT-OAHLLOKOSA-N 2 0 272.352 1.614 10 0 CDAERP CC(C)C[NH+]1CCN(C[C@@H](C)C[NH2+]C2CC2)CC1 ZINC000055083043 519725941 /nfs/dbraw/zinc/72/59/41/519725941.db2.gz RZMIELJTPYFBHO-AWEZNQCLSA-N 2 0 253.434 1.648 10 0 CDAERP CCC/C=C\CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001483256605 1160884503 /nfs/dbraw/zinc/88/45/03/1160884503.db2.gz YQHVYKDQLAYQTO-NHQLZKDQSA-N 2 0 281.444 1.921 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@H](COCC[NH+]2CCCC2)O1 ZINC000052670455 519927364 /nfs/dbraw/zinc/92/73/64/519927364.db2.gz VHZPFIAMUPQLLR-LSDHHAIUSA-N 2 0 270.417 1.646 10 0 CDAERP CC[NH2+]Cc1cc(CN2CCC[N@H+](C)CC2)oc1C ZINC000052424181 519987928 /nfs/dbraw/zinc/98/79/28/519987928.db2.gz LPYXHMAUXLXJKJ-UHFFFAOYSA-N 2 0 265.401 1.835 10 0 CDAERP CCOC(=O)[C@](C)([NH3+])CCCN1CC[NH+]([C@@H](C)CC)CC1 ZINC000055070224 521326573 /nfs/dbraw/zinc/32/65/73/521326573.db2.gz KECZXTJOPWVKEO-GOEBONIOSA-N 2 0 299.459 1.463 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CCCF ZINC001715580906 1179724178 /nfs/dbraw/zinc/72/41/78/1179724178.db2.gz YGGGBKHAIHEMJV-KBPBESRZSA-N 2 0 287.423 1.561 10 0 CDAERP C(CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)C[NH+]1CCCC1 ZINC000049333930 518387283 /nfs/dbraw/zinc/38/72/83/518387283.db2.gz WOVJXOUPNYAUOG-CVEARBPZSA-N 2 0 265.445 1.936 10 0 CDAERP CC(C)(C)[NH+]1CCN(C[C@@H]2CC[C@@H](C[NH2+]C3CC3)O2)CC1 ZINC000052571703 518711254 /nfs/dbraw/zinc/71/12/54/518711254.db2.gz JBTJHRBVADAEKW-HOTGVXAUSA-N 2 0 295.471 1.702 10 0 CDAERP CC(C)(C)[NH2+]CC1(C[N@@H+]2CCC[C@H](CO)C2)CCOCC1 ZINC000052180496 518753358 /nfs/dbraw/zinc/75/33/58/518753358.db2.gz VMMDWQZFZYYUJY-HNNXBMFYSA-N 2 0 298.471 1.876 10 0 CDAERP CC(C)[NH+]1CCC(N(C)C(=O)[C@@H](C)C2C[NH2+]C2)CC1 ZINC000164188219 519669759 /nfs/dbraw/zinc/66/97/59/519669759.db2.gz FGMROBVEUBGIDS-LBPRGKRZSA-N 2 0 267.417 1.173 10 0 CDAERP CC(C)[NH+]1CCN(C(=O)[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000055087642 519679403 /nfs/dbraw/zinc/67/94/03/519679403.db2.gz LORJRYYNQLSOQX-CHWSQXEVSA-N 2 0 253.390 1.057 10 0 CDAERP CC(C)C[NH+]1CCN([C@H](C[NH3+])c2ccncc2)CC1 ZINC000055077490 519727846 /nfs/dbraw/zinc/72/78/46/519727846.db2.gz LZTDRBMZVMIPRA-OAHLLOKOSA-N 2 0 262.401 1.355 10 0 CDAERP CC(C)C[NH+]1CCN([C@H](C[NH3+])c2cccnc2)CC1 ZINC000055077442 519728138 /nfs/dbraw/zinc/72/81/38/519728138.db2.gz OHWIMLAVGIGMJQ-OAHLLOKOSA-N 2 0 262.401 1.355 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CC[C@H](C[N@@H+]2CCOC(C)(C)C2)O1 ZINC000052481898 519745140 /nfs/dbraw/zinc/74/51/40/519745140.db2.gz RDPGLOYXQRAGEA-LSDHHAIUSA-N 2 0 284.444 1.890 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)C1CCC(C[NH3+])CC1 ZINC000055162630 519814056 /nfs/dbraw/zinc/81/40/56/519814056.db2.gz MORYZUNXEZUKCN-RUXDESIVSA-N 2 0 269.433 1.454 10 0 CDAERP CC(C)[C@H](CNC(=O)[C@]1(C)CCC[NH2+]C1)[NH+](C)C ZINC000062859171 519815656 /nfs/dbraw/zinc/81/56/56/519815656.db2.gz AWEWFVLYQZIYCO-GXTWGEPZSA-N 2 0 255.406 1.079 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]([NH3+])CC[C@@H]2C)CC1 ZINC000055141541 519845972 /nfs/dbraw/zinc/84/59/72/519845972.db2.gz XHMSICKFIOSLRJ-KCQAQPDRSA-N 2 0 281.444 1.741 10 0 CDAERP CC[NH2+]CC1(C[N@H+](C)[C@H](C)COC)CCOCC1 ZINC000052182469 519912697 /nfs/dbraw/zinc/91/26/97/519912697.db2.gz LNOUUNHPGXVVED-CYBMUJFWSA-N 2 0 258.406 1.359 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)C2CCOCC2)O1 ZINC000052481260 519924446 /nfs/dbraw/zinc/92/44/46/519924446.db2.gz RBAWYZNIBMTNCE-GJZGRUSLSA-N 2 0 270.417 1.644 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@@H](C[N@@H+]2CCOCC2(C)C)O1 ZINC000052546189 519925214 /nfs/dbraw/zinc/92/52/14/519925214.db2.gz JQMKFWZMKUWDNG-KBPBESRZSA-N 2 0 270.417 1.644 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H]2CN(C)C)O1 ZINC000061654509 519927905 /nfs/dbraw/zinc/92/79/05/519927905.db2.gz KUZZGQAFTGVZLU-OWCLPIDISA-N 2 0 283.460 1.560 10 0 CDAERP CCC[NH2+]Cc1cn(CC[N@H+](C)C[C@H](C)CC)nn1 ZINC000052454175 519959457 /nfs/dbraw/zinc/95/94/57/519959457.db2.gz UMNRSXBCYOMSTB-CYBMUJFWSA-N 2 0 267.421 1.756 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)Nc1cc(C[NH+](C)C)ccc1OC ZINC000061231484 519965978 /nfs/dbraw/zinc/96/59/78/519965978.db2.gz VVZLVECBFMBOAD-LBPRGKRZSA-N 2 0 293.411 1.941 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@@H](C[NH+]2CCC(OC)CC2)O1 ZINC000052455411 519976908 /nfs/dbraw/zinc/97/69/08/519976908.db2.gz VJEHXYWFBORKQJ-KGLIPLIRSA-N 2 0 256.390 1.254 10 0 CDAERP CCC[NH2+][C@@H](C)C[C@@H](C)N1CCN(CC[NH+](C)C)CC1 ZINC000068654879 519987302 /nfs/dbraw/zinc/98/73/02/519987302.db2.gz PJKOMYGUHLWJDL-JKSUJKDBSA-N 2 0 284.492 1.332 10 0 CDAERP CCC[NH2+][C@H]1CCCC[C@@H]1N1CCN(CC[NH+](C)C)CC1 ZINC000061644051 520092949 /nfs/dbraw/zinc/09/29/49/520092949.db2.gz LBWAPQQALVMBCH-IRXDYDNUSA-N 2 0 296.503 1.476 10 0 CDAERP CC[NH2+][C@@](C)(C[C@@H](C)N1CC[C@H]([NH+](CC)CC)C1)C(N)=O ZINC000068645620 520139554 /nfs/dbraw/zinc/13/95/54/520139554.db2.gz XQGZPGORIUNNID-YCPHGPKFSA-N 2 0 298.475 1.035 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(C(=O)[C@@](C)([NH3+])C2CC2)C1 ZINC000062972732 520871492 /nfs/dbraw/zinc/87/14/92/520871492.db2.gz FWOOJERJKTWSHV-JSGCOSHPSA-N 2 0 253.390 1.057 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(Cc2ccnc(C[NH3+])c2)C1 ZINC000068750581 520873790 /nfs/dbraw/zinc/87/37/90/520873790.db2.gz KTHVNAWMMLPNDI-HNNXBMFYSA-N 2 0 262.401 1.456 10 0 CDAERP CCOC(=O)[C@](C)([NH3+])CCCN1CC[NH+](CC(C)C)CC1 ZINC000055081149 521328071 /nfs/dbraw/zinc/32/80/71/521328071.db2.gz DINWLGPHBAFEAB-MRXNPFEDSA-N 2 0 299.459 1.321 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000055087671 521555807 /nfs/dbraw/zinc/55/58/07/521555807.db2.gz UECNOVABZXRXGF-ZIAGYGMSSA-N 2 0 267.417 1.447 10 0 CDAERP CCC(CC)[N@H+](CCOC)CCn1cc(C[NH2+]C)nn1 ZINC000052573350 521559544 /nfs/dbraw/zinc/55/95/44/521559544.db2.gz YHCCHTXAALFMDZ-UHFFFAOYSA-N 2 0 283.420 1.135 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)COc1ccc(C[NH3+])cc1 ZINC000061642263 521861533 /nfs/dbraw/zinc/86/15/33/521861533.db2.gz FMYAFKUWMKKHEC-CQSZACIVSA-N 2 0 291.395 1.077 10 0 CDAERP C[NH2+]C(C)(C)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000061318288 521936563 /nfs/dbraw/zinc/93/65/63/521936563.db2.gz QEFNXBDRNBJDNI-CYBMUJFWSA-N 2 0 263.385 1.404 10 0 CDAERP C[NH2+]CC1(CN2CCN(CC[NH+](C)C)CC2)CCCCC1 ZINC000061653730 521968377 /nfs/dbraw/zinc/96/83/77/521968377.db2.gz UAXIIMZZOIWVST-UHFFFAOYSA-N 2 0 296.503 1.336 10 0 CDAERP C[NH2+]C[C@@H]1CC[N@H+](CCc2ccc3c(c2)OCCO3)C1 ZINC000053011402 522056092 /nfs/dbraw/zinc/05/60/92/522056092.db2.gz DTGNHYYEBGHIMC-AWEZNQCLSA-N 2 0 276.380 1.542 10 0 CDAERP C[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)Cc2cccc(OC)c2)O1 ZINC000052372961 522058889 /nfs/dbraw/zinc/05/88/89/522058889.db2.gz WRZRBDLAHLFINT-HOTGVXAUSA-N 2 0 278.396 1.894 10 0 CDAERP COC[C@@H](C)[N@H+](C)CC1(C[NH2+]CC(C)C)CCOCC1 ZINC000052182495 522215797 /nfs/dbraw/zinc/21/57/97/522215797.db2.gz MIKSMJGZYOTKHS-OAHLLOKOSA-N 2 0 286.460 1.996 10 0 CDAERP CC[C@H]([NH3+])Cc1cc(C)nc(CC[NH+](CC)CC)n1 ZINC000054835830 522333716 /nfs/dbraw/zinc/33/37/16/522333716.db2.gz WYCJKKJGEDMRMW-ZDUSSCGKSA-N 2 0 264.417 1.949 10 0 CDAERP C[NH2+][C@H]1c2ccccc2OC[C@H]1N1CCC[C@@H]1C[NH+](C)C ZINC000061643666 522510240 /nfs/dbraw/zinc/51/02/40/522510240.db2.gz NRNUSKPWWOMKIR-UNEWFSDZSA-N 2 0 289.423 1.734 10 0 CDAERP C[N@H+](CCC[NH2+]CCn1cccn1)Cc1ccccc1 ZINC000049314093 522771982 /nfs/dbraw/zinc/77/19/82/522771982.db2.gz SWTUTJCCPNZHDH-UHFFFAOYSA-N 2 0 272.396 1.995 10 0 CDAERP CN1CCC([N@H+](C)CCC[C@H]2CCCC[NH2+]2)CC1 ZINC000050952406 522786380 /nfs/dbraw/zinc/78/63/80/522786380.db2.gz ANNQSYVPTNTNOP-CQSZACIVSA-N 2 0 253.434 1.935 10 0 CDAERP C[N@@H+](Cc1cc(C[NH3+])co1)CC1CC[NH+](C)CC1 ZINC000063122257 523171994 /nfs/dbraw/zinc/17/19/94/523171994.db2.gz GZGFTVKXBQFHAM-UHFFFAOYSA-N 3 0 251.374 1.512 10 0 CDAERP CC[C@H]1CN([C@@H](C)C[C@@](C)(CO)[NH2+]C(C)C)CC[N@@H+]1C ZINC000070335592 523300778 /nfs/dbraw/zinc/30/07/78/523300778.db2.gz TUTOWEPJFUHFIU-JYJNAYRXSA-N 2 0 285.476 1.540 10 0 CDAERP CCn1ccnc1N1CCC[N@H+](C[C@@H](C)C[NH3+])CC1 ZINC000050607933 523547674 /nfs/dbraw/zinc/54/76/74/523547674.db2.gz HEVYKSWHVRJLNY-ZDUSSCGKSA-N 2 0 265.405 1.010 10 0 CDAERP C[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000055162863 523762840 /nfs/dbraw/zinc/76/28/40/523762840.db2.gz UZOHPNGAECQXJI-ZIAGYGMSSA-N 2 0 267.417 1.210 10 0 CDAERP COCC[N@H+](Cc1ccoc1C[NH3+])[C@H](C)COC ZINC000052572355 523770874 /nfs/dbraw/zinc/77/08/74/523770874.db2.gz USAXPISIZZCFBX-LLVKDONJSA-N 2 0 256.346 1.222 10 0 CDAERP COc1ccc(C)cc1[C@H](O)C[NH2+][C@@H](C)CC[NH+](C)C ZINC000049557339 523860851 /nfs/dbraw/zinc/86/08/51/523860851.db2.gz UCVVSZQVWNBDNF-DZGCQCFKSA-N 2 0 280.412 1.967 10 0 CDAERP COCC[NH2+]C[C@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000069311275 523943393 /nfs/dbraw/zinc/94/33/93/523943393.db2.gz WUIAMSJYNOOQTI-CYBMUJFWSA-N 2 0 256.390 1.113 10 0 CDAERP CC[C@H](C)[NH+]1CCN(Cc2ccnc(C[NH3+])c2)CC1 ZINC000068750472 523956734 /nfs/dbraw/zinc/95/67/34/523956734.db2.gz ROAWXPCFBWXBIG-ZDUSSCGKSA-N 2 0 262.401 1.456 10 0 CDAERP CC[C@H](C)[NH+]1CCN([C@H](C)C[NH2+]CCOC)CC1 ZINC000055075188 523959564 /nfs/dbraw/zinc/95/95/64/523959564.db2.gz YGXACCFWLSYAOE-UONOGXRCSA-N 2 0 257.422 1.027 10 0 CDAERP C[N@H+]1C[C@@H]2C[NH+](C[C@H](O)CC3CCCC3)C[C@@H]2C1 ZINC000365852759 524017263 /nfs/dbraw/zinc/01/72/63/524017263.db2.gz XVOVGYQFDLTYGY-QLFBSQMISA-N 2 0 252.402 1.421 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@H]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000055147413 524039051 /nfs/dbraw/zinc/03/90/51/524039051.db2.gz BKEXHADCPCTMPW-OLZOCXBDSA-N 2 0 267.417 1.304 10 0 CDAERP C[NH+](C)CC1CCN(C(=O)C[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000055134948 524048622 /nfs/dbraw/zinc/04/86/22/524048622.db2.gz RNFQRCOUQXKMSX-LSDHHAIUSA-N 2 0 281.444 1.694 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000246551359 524107440 /nfs/dbraw/zinc/10/74/40/524107440.db2.gz TVVWGQZNYVWDRF-JHJVBQTASA-N 2 0 253.390 1.104 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)CCC1CCC([NH3+])CC1 ZINC000055140884 524153772 /nfs/dbraw/zinc/15/37/72/524153772.db2.gz VJZHKIJBJJDPNY-IYXRBSQSSA-N 2 0 269.433 1.741 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000049559687 524160912 /nfs/dbraw/zinc/16/09/12/524160912.db2.gz HYUGKJVEOFEJTK-ZOBORPQBSA-N 2 0 267.417 1.364 10 0 CDAERP C[C@@H]1CCC[C@@H](C(=O)N2CCC([NH+](C)C)CC2)[C@@H]1[NH3+] ZINC000055128218 524264828 /nfs/dbraw/zinc/26/48/28/524264828.db2.gz IXBJTYHFMFWFJN-MRVWCRGKSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000055131582 524301772 /nfs/dbraw/zinc/30/17/72/524301772.db2.gz UKFLYQIJBYCROY-AAVRWANBSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000054629739 524328193 /nfs/dbraw/zinc/32/81/93/524328193.db2.gz JIVQUWBGDNIRNP-FFHGMXDLSA-N 2 0 251.418 1.815 10 0 CDAERP C[C@@H]1CCC[C@@](C[NH3+])(N2CCC[C@@H]2C[NH+](C)C)C1 ZINC000061643015 524337770 /nfs/dbraw/zinc/33/77/70/524337770.db2.gz WRACKDJITWPTKF-RBSFLKMASA-N 2 0 253.434 1.920 10 0 CDAERP C[C@@H]1CCC[C@](C[NH3+])(N2CCN(CC[NH+](C)C)CC2)[C@@H]1C ZINC000068629365 524429750 /nfs/dbraw/zinc/42/97/50/524429750.db2.gz YNANAZPCHVFACP-BRWVUGGUSA-N 2 0 296.503 1.319 10 0 CDAERP C[C@@H](CCC[NH3+])[NH+]1CCN(Cc2ccccc2)CC1 ZINC000052417122 524457473 /nfs/dbraw/zinc/45/74/73/524457473.db2.gz MWHICDSWFHGYNA-HNNXBMFYSA-N 2 0 261.413 1.932 10 0 CDAERP C[C@@H](C[NH+]1CCCC1)NCC[C@@H]1CCCC[N@@H+]1C ZINC000052205935 524591607 /nfs/dbraw/zinc/59/16/07/524591607.db2.gz IPEIJHVQZVROTM-GJZGRUSLSA-N 2 0 253.434 1.935 10 0 CDAERP C[C@H]1C[C@H](C(=O)N2CC[NH+](C3CCCC3)CC2)CC[C@@H]1[NH3+] ZINC000055132589 524869086 /nfs/dbraw/zinc/86/90/86/524869086.db2.gz LQLDPIFFCCJIGF-LZWOXQAQSA-N 2 0 293.455 1.837 10 0 CDAERP C[C@H]1C[C@H]([NH3+])CC[C@@H]1C(=O)NCC1CC[NH+](C)CC1 ZINC000055140225 524901916 /nfs/dbraw/zinc/90/19/16/524901916.db2.gz OQCKXVWOEGDHFN-YUTCNCBUSA-N 2 0 267.417 1.208 10 0 CDAERP C[C@]([NH3+])(CN[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000052883625 525150307 /nfs/dbraw/zinc/15/03/07/525150307.db2.gz FRZPEXUWDDFMAS-HOCLYGCPSA-N 2 0 259.397 1.687 10 0 CDAERP C[C@@H](O)CCC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000336835042 525753048 /nfs/dbraw/zinc/75/30/48/525753048.db2.gz TYMDUECXYNWUOZ-HZPDHXFCSA-N 2 0 283.460 1.249 10 0 CDAERP O=C(CC[C@@H]1CCCC[NH2+]1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000050946933 526547220 /nfs/dbraw/zinc/54/72/20/526547220.db2.gz FVPMLKAZTCFBTQ-LSDHHAIUSA-N 2 0 279.428 1.605 10 0 CDAERP C[NH2+]C[C@@H]1CCCN1C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418445775 536455828 /nfs/dbraw/zinc/45/58/28/536455828.db2.gz HQFPAXCFCFQALK-UONOGXRCSA-N 2 0 276.384 1.080 10 0 CDAERP C[NH2+]C[C@@H]1CCCN1C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000418474878 536456221 /nfs/dbraw/zinc/45/62/21/536456221.db2.gz YSGXHMNIFVXOPW-DOMZBBRYSA-N 2 0 290.411 1.600 10 0 CDAERP Cc1oc(C[NH3+])cc1CN1CCC[C@H]1C[NH+](C)C ZINC000061654603 526769287 /nfs/dbraw/zinc/76/92/87/526769287.db2.gz LEXDSIIUSZJKRP-ZDUSSCGKSA-N 2 0 251.374 1.573 10 0 CDAERP Cc1nc(N(C)C2CC[NH+](C)CC2)sc1C[NH3+] ZINC000054994886 526949780 /nfs/dbraw/zinc/94/97/80/526949780.db2.gz OGNQXDRWFYRVGY-UHFFFAOYSA-N 2 0 254.403 1.441 10 0 CDAERP [NH3+]C[C@H](CCc1ccccc1)N1CC[NH+](C2CC2)CC1 ZINC000061624941 527224943 /nfs/dbraw/zinc/22/49/43/527224943.db2.gz BNDMVVCDPDGTQT-KRWDZBQOSA-N 2 0 273.424 1.727 10 0 CDAERP [NH3+]Cc1cc(N2CC[NH+](C3CCCC3)CC2)ccn1 ZINC000052063925 527249011 /nfs/dbraw/zinc/24/90/11/527249011.db2.gz ZVFPLYZFLWYQQF-UHFFFAOYSA-N 2 0 260.385 1.605 10 0 CDAERP O[C@@H](C[NH+]1CCC(C[NH2+]C2CC2)CC1)C(F)(F)F ZINC000068890157 527645928 /nfs/dbraw/zinc/64/59/28/527645928.db2.gz LKDDBLVZBYTSLO-NSHDSACASA-N 2 0 266.307 1.374 10 0 CDAERP CCCC[C@H](C[NH3+])NC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000418459607 535026428 /nfs/dbraw/zinc/02/64/28/535026428.db2.gz GSXCEMMRUTZQSO-ZNMIVQPWSA-N 2 0 298.475 1.876 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+][C@H](C)[C@@H]2C[C@@H]2C)CC1 ZINC000414052983 535698696 /nfs/dbraw/zinc/69/86/96/535698696.db2.gz AFVDPHWPBKUGIZ-RRFJBIMHSA-N 2 0 253.434 1.648 10 0 CDAERP C[NH+](C)Cc1cccc(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000262183433 536023665 /nfs/dbraw/zinc/02/36/65/536023665.db2.gz ZHAORHVYUUGVGR-HNNXBMFYSA-N 2 0 289.423 1.948 10 0 CDAERP CC[C@@]1(O)CC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000428442988 536086819 /nfs/dbraw/zinc/08/68/19/536086819.db2.gz PCAAYZHFZVDYPT-MRXNPFEDSA-N 2 0 286.379 1.923 10 0 CDAERP CC(C)[C@@H](C[NH2+][C@H]1CCCOC1)N1CC[NH+](C)CC1 ZINC000070464878 538388993 /nfs/dbraw/zinc/38/89/93/538388993.db2.gz DCIWIADIORTQBL-LSDHHAIUSA-N 2 0 269.433 1.027 10 0 CDAERP CC[N@H+](CCNC(=O)N[C@H]1CCC[NH+](C)C1)C(C)C ZINC000726709988 574504634 /nfs/dbraw/zinc/50/46/34/574504634.db2.gz ZAUKRQLHRLADIH-ZDUSSCGKSA-N 2 0 270.421 1.110 10 0 CDAERP Cc1cc(=O)[nH]c(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)n1 ZINC000766991145 576152052 /nfs/dbraw/zinc/15/20/52/576152052.db2.gz WYTHTXKWNOHAPS-OLZOCXBDSA-N 2 0 276.384 1.407 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCCCCCO)CC1 ZINC000750185184 576981166 /nfs/dbraw/zinc/98/11/66/576981166.db2.gz CTCFXHJQRACLPL-QGZVFWFLSA-N 2 0 297.487 1.641 10 0 CDAERP C[N@@H+](C/C=C/Cl)CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001689876353 1175291512 /nfs/dbraw/zinc/29/15/12/1175291512.db2.gz WTDGEUMVZNYCBC-VUUYWXRKSA-N 2 0 287.835 1.519 10 0 CDAERP CCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001690226283 1175408660 /nfs/dbraw/zinc/40/86/60/1175408660.db2.gz HXZAWASHBZKRFC-HOTGVXAUSA-N 2 0 293.455 1.709 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001690276371 1175420628 /nfs/dbraw/zinc/42/06/28/1175420628.db2.gz ALGRQQNVNLLBPE-AAVRWANBSA-N 2 0 267.417 1.364 10 0 CDAERP CC1(C)[C@H]([NH2+]CCCOC[C@H]2CCCO2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925521873 617434312 /nfs/dbraw/zinc/43/43/12/617434312.db2.gz WVXYUFVDYAGQNI-LVQVYYBASA-N 2 0 296.455 1.938 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925550319 617497370 /nfs/dbraw/zinc/49/73/70/617497370.db2.gz QXTRBBXDCGZPCZ-ILXRZTDVSA-N 2 0 282.476 1.118 10 0 CDAERP C(C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)CO[C@@H]1CCOC1 ZINC000925553257 617501985 /nfs/dbraw/zinc/50/19/85/617501985.db2.gz PYRVXRLWKDIJOM-BRWVUGGUSA-N 2 0 296.455 1.940 10 0 CDAERP CC[C@H](C[C@](C)(O)CC)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000924577994 617532036 /nfs/dbraw/zinc/53/20/36/617532036.db2.gz KNNGKHPIJQKQLS-HZPDHXFCSA-N 2 0 285.476 1.543 10 0 CDAERP NC(=O)c1cccc(CC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925591321 617538007 /nfs/dbraw/zinc/53/80/07/617538007.db2.gz APFDEHFRSTWMNA-UONOGXRCSA-N 2 0 273.380 1.188 10 0 CDAERP Cc1noc(CCC[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)n1 ZINC000925592552 617538777 /nfs/dbraw/zinc/53/87/77/617538777.db2.gz IQLZAYLWTHWESD-NEPJUHHUSA-N 2 0 266.389 1.806 10 0 CDAERP CC1(C)[C@H]([NH2+][C@H]2CC[C@@H](CO)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925606530 617548639 /nfs/dbraw/zinc/54/86/39/617548639.db2.gz KPHCKZHNGOKIBE-QKGCVVFFSA-N 2 0 266.429 1.904 10 0 CDAERP CC1(C)[C@@H]([NH2+]C[C@H](O)C2CCOCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925617258 617562353 /nfs/dbraw/zinc/56/23/53/617562353.db2.gz CBYHDCWSTXRMGK-QPSCCSFWSA-N 2 0 282.428 1.140 10 0 CDAERP CC(C)C(=O)NCCC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925626047 617573671 /nfs/dbraw/zinc/57/36/71/617573671.db2.gz NGRHHPIOFVRGFT-CHWSQXEVSA-N 2 0 269.433 1.644 10 0 CDAERP CC1(C)[C@@H]([NH2+]CC2(CO)CCCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925642988 617586340 /nfs/dbraw/zinc/58/63/40/617586340.db2.gz UXMRCNXGQGDEHM-RDBSUJKOSA-N 2 0 266.429 1.905 10 0 CDAERP C[C@@H](N[C@H](CC[NH+](C)C)c1cccnc1)C1C[NH2+]C1 ZINC000925826576 617833090 /nfs/dbraw/zinc/83/30/90/617833090.db2.gz IDZFLPZUVAWXLR-IUODEOHRSA-N 2 0 262.401 1.272 10 0 CDAERP CN1C[C@@H]2C[N@@H+]([C@@H]3C[C@@H]4CCCC[C@@H]4NC3=O)C[C@]2(C)C1 ZINC000933733327 617599488 /nfs/dbraw/zinc/59/94/88/617599488.db2.gz IGKSKICZJKXOPF-SVZOTFJBSA-N 2 0 291.439 1.317 10 0 CDAERP CC1(C)C[C@@H]([NH2+][C@H](CO)C[C@H]2CCCO2)C[C@@H]([NH3+])C1 ZINC000925767860 617619263 /nfs/dbraw/zinc/61/92/63/617619263.db2.gz QRFDGMFTEBPPMQ-ZOBORPQBSA-N 2 0 270.417 1.412 10 0 CDAERP CCOCCC[N@@H+]1CC[C@@H](NC[C@@H]2C[NH2+]C[C@H]2C)[C@H](C)C1 ZINC000925792766 617719211 /nfs/dbraw/zinc/71/92/11/617719211.db2.gz WDDGECXOXKXFDM-WCXIOVBPSA-N 2 0 297.487 1.569 10 0 CDAERP COCC1(C[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)CC[NH2+]CC1 ZINC000925697800 617735313 /nfs/dbraw/zinc/73/53/13/617735313.db2.gz AEQIKDDUAKJVGY-HRCADAONSA-N 2 0 296.455 1.797 10 0 CDAERP CC[NH2+][C@H](C)CN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925699664 617740420 /nfs/dbraw/zinc/74/04/20/617740420.db2.gz LNWAWCKJNULDAW-BPLDGKMQSA-N 2 0 253.434 1.742 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+]CCN2CCC([NH3+])CC2)C1(CC)CC ZINC000925813893 617761159 /nfs/dbraw/zinc/76/11/59/617761159.db2.gz DGZBMHOTVAYHAD-JKSUJKDBSA-N 2 0 297.487 1.983 10 0 CDAERP NC(=O)[C@H]1C[C@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925718421 617839492 /nfs/dbraw/zinc/83/94/92/617839492.db2.gz INOVMNFMWYOVQF-IHRRRGAJSA-N 2 0 261.369 1.320 10 0 CDAERP NC(=O)[C@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925719222 617842613 /nfs/dbraw/zinc/84/26/13/617842613.db2.gz MKMWNSSCQGHRGJ-XUXIUFHCSA-N 2 0 265.401 1.008 10 0 CDAERP C[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1cnccn1 ZINC000925843968 617876998 /nfs/dbraw/zinc/87/69/98/617876998.db2.gz INTOPYRPVKJQFA-AWEZNQCLSA-N 2 0 277.416 1.203 10 0 CDAERP CCC(=O)N1CCC([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000925844167 617877565 /nfs/dbraw/zinc/87/75/65/617877565.db2.gz RBINHGMGKOTJFU-GDBMZVCRSA-N 2 0 279.428 1.509 10 0 CDAERP C(C[NH2+]C1CC1)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000923363113 618323486 /nfs/dbraw/zinc/32/34/86/618323486.db2.gz UILYMBLEQHYQLC-KBPBESRZSA-N 3 0 251.418 1.450 10 0 CDAERP Cc1ccnc(N)c1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000894576641 618972506 /nfs/dbraw/zinc/97/25/06/618972506.db2.gz YYXHHBLOGJLHJG-UHFFFAOYSA-N 2 0 274.412 1.936 10 0 CDAERP C[C@@H]1[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC[N@@H+]1C ZINC000928430912 619017086 /nfs/dbraw/zinc/01/70/86/619017086.db2.gz AAUFGSVNZVAFJF-JMSVASOKSA-N 2 0 285.407 1.408 10 0 CDAERP C[N@@H+]1CC[C@@H]1CNC(=O)C[C@H](n1ccnc1)C(F)(F)F ZINC000928552180 619351261 /nfs/dbraw/zinc/35/12/61/619351261.db2.gz INUIAXWRNBFUQK-ZJUUUORDSA-N 2 0 290.289 1.197 10 0 CDAERP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C1 ZINC000902796560 625417802 /nfs/dbraw/zinc/41/78/02/625417802.db2.gz PCFYIKBDTFYSPM-YZXKGSGOSA-N 2 0 264.413 1.731 10 0 CDAERP CC[C@@H]1CCN(C(=[NH2+])NC[C@@H]2CC[N@H+](CC)C2)C1 ZINC000864453662 620922885 /nfs/dbraw/zinc/92/28/85/620922885.db2.gz YLFSSKHATCHTGI-OLZOCXBDSA-N 2 0 252.406 1.584 10 0 CDAERP COCC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H](C)C1CC1 ZINC000899265166 622129129 /nfs/dbraw/zinc/12/91/29/622129129.db2.gz SCVHWJJCXHKJQL-WCQYABFASA-N 2 0 268.405 1.010 10 0 CDAERP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900304734 622874956 /nfs/dbraw/zinc/87/49/56/622874956.db2.gz FPCKNDHSVWIIKZ-OFQRWUPVSA-N 2 0 299.459 1.068 10 0 CDAERP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+]3CCSC[C@H]23)CC[N@@H+]1C ZINC000900515357 623177709 /nfs/dbraw/zinc/17/77/09/623177709.db2.gz IHFWFVUAVZQNDY-AAVRWANBSA-N 2 0 297.468 1.023 10 0 CDAERP CN(C(=O)C[N@H+](C)C1CCC1)[C@@H]1C[NH+]2CCC1CC2 ZINC000900659878 623340469 /nfs/dbraw/zinc/34/04/69/623340469.db2.gz AZZQZXAGAYBPCH-CQSZACIVSA-N 2 0 265.401 1.023 10 0 CDAERP C[N@@H+]1CCC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@@H]21 ZINC000901105397 623888266 /nfs/dbraw/zinc/88/82/66/623888266.db2.gz UFWMSJVZMFZXKY-KBPBESRZSA-N 2 0 277.412 1.025 10 0 CDAERP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902461239 624851424 /nfs/dbraw/zinc/85/14/24/624851424.db2.gz MXUCVXJVEVLBER-CWLUVXEGSA-N 2 0 299.418 1.725 10 0 CDAERP C1C[C@@H]2[NH2+][C@H]1C[C@@H]2[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000902463002 624852950 /nfs/dbraw/zinc/85/29/50/624852950.db2.gz YQUKXZHSWPABQF-QLKXBERHSA-N 2 0 250.386 1.674 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C1 ZINC000903043198 625792540 /nfs/dbraw/zinc/79/25/40/625792540.db2.gz RNOZUOXHHJNHBX-XEVPTUHLSA-N 2 0 264.413 1.730 10 0 CDAERP CC[C@H](CN1CCOCC1)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000903339639 625971429 /nfs/dbraw/zinc/97/14/29/625971429.db2.gz MRZYDLIISGDVKL-CABCVRRESA-N 2 0 283.460 1.560 10 0 CDAERP CC(=O)N(C)C1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903432394 625990232 /nfs/dbraw/zinc/99/02/32/625990232.db2.gz ABJITMPHJUJMGA-OLZOCXBDSA-N 2 0 253.390 1.057 10 0 CDAERP CC(C)C(=O)NC[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903433076 625990753 /nfs/dbraw/zinc/99/07/53/625990753.db2.gz SXQAITGLVVGDJO-KFWWJZLASA-N 2 0 281.444 1.326 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000903454029 626001616 /nfs/dbraw/zinc/00/16/16/626001616.db2.gz RVPHAOVPMJLAHL-LXTVHRRPSA-N 2 0 251.418 1.448 10 0 CDAERP C[NH2+]CCCN1C[C@H](C[NH3+])Cc2cc(F)ccc21 ZINC000903569518 626028021 /nfs/dbraw/zinc/02/80/21/626028021.db2.gz ZOBHKCHBUIFARE-NSHDSACASA-N 2 0 251.349 1.373 10 0 CDAERP CC(C)(C)NC(=O)[C@@H]1CCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903575051 626029686 /nfs/dbraw/zinc/02/96/86/626029686.db2.gz DOFSOHRWTQBYGK-AGIUHOORSA-N 2 0 267.417 1.493 10 0 CDAERP COC(=O)[C@H](C)C[N@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903884756 626133125 /nfs/dbraw/zinc/13/31/25/626133125.db2.gz FRHMVKMYQSWVMV-ODWCKFRGSA-N 2 0 254.374 1.258 10 0 CDAERP CCC[C@H]1CN(C[C@@H](C[NH3+])Cc2cnn(C)c2C)CCO1 ZINC000903895850 626135769 /nfs/dbraw/zinc/13/57/69/626135769.db2.gz QRLQEWKJGLYTLR-ZBFHGGJFSA-N 2 0 294.443 1.347 10 0 CDAERP CO[C@@H]1CC[C@H]2OCC[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@H]2C1 ZINC000903898442 626137423 /nfs/dbraw/zinc/13/74/23/626137423.db2.gz MANXUMPHXVFIBY-YEUBTCNTSA-N 2 0 294.439 1.785 10 0 CDAERP CN1CCC2(CC[NH+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)C1=O ZINC000903908938 626142978 /nfs/dbraw/zinc/14/29/78/626142978.db2.gz BJYSDNJVFHMHSW-GOOCMWNKSA-N 2 0 291.439 1.461 10 0 CDAERP O=C(NC1CC1)N[C@@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903910081 626143500 /nfs/dbraw/zinc/14/35/00/626143500.db2.gz JMHVSPJBKYWPME-CHEQUFIKSA-N 2 0 292.427 1.053 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCSC[C@H](C)C2)cnn1C ZINC000903913110 626145403 /nfs/dbraw/zinc/14/54/03/626145403.db2.gz MOQRNLDZARGPIU-TZMCWYRMSA-N 2 0 296.484 1.531 10 0 CDAERP C[C@@H]([NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1)C1CCOCC1 ZINC000903922374 626147637 /nfs/dbraw/zinc/14/76/37/626147637.db2.gz WKWNGAWRSHUBKK-OCCSQVGLSA-N 2 0 293.415 1.107 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[NH2+]C2CCCCC2)cnn1C ZINC000903923330 626148345 /nfs/dbraw/zinc/14/83/45/626148345.db2.gz QQCWXSDBFOFFPA-ZDUSSCGKSA-N 2 0 264.417 1.768 10 0 CDAERP [NH3+][C@H](C[NH2+][C@@H]1CNc2ccccc2C1)CC(F)F ZINC000903931200 626151376 /nfs/dbraw/zinc/15/13/76/626151376.db2.gz ARBHQJYWKHGAHD-QWRGUYRKSA-N 2 0 255.312 1.595 10 0 CDAERP FC1(F)CC[NH2+]C[C@@H]1CNC1CC[NH+](CC2CC2)CC1 ZINC000903957438 626158421 /nfs/dbraw/zinc/15/84/21/626158421.db2.gz QYYOEUBOCIKOSD-CYBMUJFWSA-N 2 0 287.398 1.695 10 0 CDAERP C1=C(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)COCC1 ZINC000903959247 626159068 /nfs/dbraw/zinc/15/90/68/626159068.db2.gz CTFKETJRZORQFG-OAHLLOKOSA-N 2 0 250.386 1.799 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903959535 626159624 /nfs/dbraw/zinc/15/96/24/626159624.db2.gz JKBWSQPYUNVRPJ-GJZGRUSLSA-N 2 0 253.434 1.825 10 0 CDAERP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]C[C@H]1CCSC1 ZINC000903956715 626167268 /nfs/dbraw/zinc/16/72/68/626167268.db2.gz NFAFYUJYNRDFAR-NXEZZACHSA-N 2 0 250.358 1.574 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cnc2ccccn12 ZINC000903973239 626168419 /nfs/dbraw/zinc/16/84/19/626168419.db2.gz CAAOVUURLAYCSO-CHWSQXEVSA-N 2 0 258.369 1.670 10 0 CDAERP Cc1cccc2ncc(C[NH2+]CC[C@@H]3C[NH2+]C[C@H]3C)n21 ZINC000903973503 626168535 /nfs/dbraw/zinc/16/85/35/626168535.db2.gz DZWZCAIBXZSQAE-TZMCWYRMSA-N 2 0 272.396 1.978 10 0 CDAERP Cc1nc([C@@H]2CC[N@@H+](C[C@@H]3CC[NH2+][C@@H](C)C3)C2)no1 ZINC000903979085 626170305 /nfs/dbraw/zinc/17/03/05/626170305.db2.gz VDRWQBNZCYJIQY-CYZMBNFOSA-N 2 0 264.373 1.555 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cnc2ccc(Cl)cn12 ZINC000903964299 626171559 /nfs/dbraw/zinc/17/15/59/626171559.db2.gz IKCBKQZZCXABOP-MNOVXSKESA-N 2 0 278.787 1.933 10 0 CDAERP CC[C@@H](CNC(=[NH2+])NC[C@@H]1CCCS1)[NH+]1CCCC1 ZINC000905041537 626380834 /nfs/dbraw/zinc/38/08/34/626380834.db2.gz JRXBVXFIAVGAMK-STQMWFEESA-N 2 0 284.473 1.870 10 0 CDAERP CC[N@@H+]1CC[C@@H](CNC(=[NH2+])NC[C@H]2CCCS2)C1 ZINC000905043873 626383068 /nfs/dbraw/zinc/38/30/68/626383068.db2.gz ZYUDJMMDRGGDEL-NWDGAFQWSA-N 2 0 270.446 1.338 10 0 CDAERP C(c1noc([C@H]2C[C@]23CC[NH2+]C3)n1)C1CC[NH2+]CC1 ZINC000905314335 626744303 /nfs/dbraw/zinc/74/43/03/626744303.db2.gz NXWCJWPCOWCAFI-RISCZKNCSA-N 2 0 262.357 1.079 10 0 CDAERP CCC(C)(C)[NH2+][C@H](C)C(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000913280946 630424412 /nfs/dbraw/zinc/42/44/12/630424412.db2.gz ISFDNJGKQDRBJJ-KBRIMQKVSA-N 2 0 295.471 1.953 10 0 CDAERP O=C(CC[N@@H+]1CCc2ccccc2C1)NC12CC[NH+](CC1)C2 ZINC000913632998 630725402 /nfs/dbraw/zinc/72/54/02/630725402.db2.gz HJJAFBJJUVOSTM-UHFFFAOYSA-N 2 0 299.418 1.399 10 0 CDAERP Cc1nc(C)c(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)[nH]1 ZINC000929781260 630947737 /nfs/dbraw/zinc/94/77/37/630947737.db2.gz IFXATRNISOTAKK-GXFFZTMASA-N 2 0 250.390 1.941 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@H]1CCC[NH+](C)C1 ZINC000918718870 632428325 /nfs/dbraw/zinc/42/83/25/632428325.db2.gz HUVWKLKHLVHUFJ-QWHCGFSZSA-N 2 0 284.473 1.029 10 0 CDAERP CCN(CC)C(=O)C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925476827 632718677 /nfs/dbraw/zinc/71/86/77/632718677.db2.gz YOFPUYYZANPBGZ-RYUDHWBXSA-N 2 0 255.406 1.350 10 0 CDAERP CCN(CC)C(=O)C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925476829 632718813 /nfs/dbraw/zinc/71/88/13/632718813.db2.gz YOFPUYYZANPBGZ-VXGBXAGGSA-N 2 0 255.406 1.350 10 0 CDAERP [NH3+][C@H]1C[C@@H]([NH2+]CCCNC(=O)c2cccs2)C12CCC2 ZINC000925600298 685300628 /nfs/dbraw/zinc/30/06/28/685300628.db2.gz VAWREVVTAIINHL-QWHCGFSZSA-N 2 0 293.436 1.728 10 0 CDAERP C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923500447 685332375 /nfs/dbraw/zinc/33/23/75/685332375.db2.gz QQRPHPSNFCYHEC-KEYQJZJPSA-N 2 0 295.471 1.987 10 0 CDAERP Cc1noc(CCC[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)n1 ZINC000723903158 685342509 /nfs/dbraw/zinc/34/25/09/685342509.db2.gz SVTQCZHBDFEWIF-ZYHUDNBSSA-N 2 0 252.362 1.227 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1)C(C)C ZINC000846674215 685350703 /nfs/dbraw/zinc/35/07/03/685350703.db2.gz VGAWDIXCTPVRCG-ZIAGYGMSSA-N 2 0 267.417 1.364 10 0 CDAERP COC[C@@H](C[NH+]1CCC(N2CC[NH+](C)CC2)CC1)C(C)C ZINC000931548143 685365221 /nfs/dbraw/zinc/36/52/21/685365221.db2.gz GLNATJOFVWFOJO-MRXNPFEDSA-N 2 0 297.487 1.617 10 0 CDAERP COCCC[N@@H+]1CC[C@@](C)(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001699819225 1158628376 /nfs/dbraw/zinc/62/83/76/1158628376.db2.gz GWPHMRPBPYBMDA-MRXNPFEDSA-N 2 0 297.443 1.088 10 0 CDAERP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000872276650 685467809 /nfs/dbraw/zinc/46/78/09/685467809.db2.gz RZCWUKLGXCMTEW-SNSPGFKJSA-N 2 0 279.428 1.293 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CC2CCC1CC2)N1CC[NH+](C)CC1 ZINC000924960646 685469079 /nfs/dbraw/zinc/46/90/79/685469079.db2.gz LGLZOXBUDHVIRM-PRLABOORSA-N 2 0 265.445 1.791 10 0 CDAERP C[C@@]1(C[NH+]2CCC([C@H]3CCCO3)CC2)CC[NH2+]C1 ZINC000261887282 685470523 /nfs/dbraw/zinc/47/05/23/685470523.db2.gz SGTQWYSPELIRSL-HUUCEWRRSA-N 2 0 252.402 1.877 10 0 CDAERP C(N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925838462 685473393 /nfs/dbraw/zinc/47/33/93/685473393.db2.gz MCXPVGZGMPYKHH-WYVHVMBXSA-N 2 0 261.413 1.105 10 0 CDAERP CC(C)[NH+]1CCC([NH2+]CCCCCN2CC[NH2+]CC2)CC1 ZINC000925849235 685551346 /nfs/dbraw/zinc/55/13/46/685551346.db2.gz NHSGILTWXVDTPE-UHFFFAOYSA-N 2 0 296.503 1.524 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)c2cccc(C[NH3+])c2)CC1 ZINC000828037986 685551757 /nfs/dbraw/zinc/55/17/57/685551757.db2.gz QJKOIHKVCHKSOQ-UHFFFAOYSA-N 2 0 289.423 1.997 10 0 CDAERP C[C@@H]1CN(C(C)(C)CNC2=[NH+]CCCCN2)C[C@@H](C)O1 ZINC000849214974 685656405 /nfs/dbraw/zinc/65/64/05/685656405.db2.gz GNZZOABSHUSBQO-CHWSQXEVSA-N 2 0 282.432 1.203 10 0 CDAERP COC(=O)c1nc(CN[C@@H](C)C2C[NH2+]C2)ccc1Cl ZINC000854222134 685560586 /nfs/dbraw/zinc/56/05/86/685560586.db2.gz YSLKHFZUBKEKGX-QMMMGPOBSA-N 2 0 283.759 1.219 10 0 CDAERP CC(C)[C@@H]1C[C@@H]([NH2+]CCN2CCC([NH3+])CC2)CCO1 ZINC000925814375 685627048 /nfs/dbraw/zinc/62/70/48/685627048.db2.gz IFHSCJHPJARVGK-GJZGRUSLSA-N 2 0 269.433 1.203 10 0 CDAERP C[NH+](C)CCN(C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)C1CCCC1 ZINC000715092892 685640257 /nfs/dbraw/zinc/64/02/57/685640257.db2.gz GCEVTIWGFGREGY-RYUDHWBXSA-N 2 0 289.370 1.159 10 0 CDAERP C[C@@H]1C[C@@H](C[N@@H+]2CCc3cc(Cl)nnc3C2)CC[NH2+]1 ZINC000843130107 684313384 /nfs/dbraw/zinc/31/33/84/684313384.db2.gz XHOZBGWDMAMADY-MNOVXSKESA-N 2 0 280.803 1.876 10 0 CDAERP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CCC[NH2+]C3CC3)C2)C1 ZINC000923388280 684340712 /nfs/dbraw/zinc/34/07/12/684340712.db2.gz NMHMGKHIHZGSPR-IIAWOOMASA-N 3 0 281.444 1.347 10 0 CDAERP CCCC[C@H](COC)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925857014 684363815 /nfs/dbraw/zinc/36/38/15/684363815.db2.gz YTUNMAWLHNLBLC-ZIAGYGMSSA-N 2 0 298.427 1.467 10 0 CDAERP [NH3+][C@H]1C[C@H]([NH2+]CCc2ccc3c(c2)OCO3)C12CCC2 ZINC000925512003 684389185 /nfs/dbraw/zinc/38/91/85/684389185.db2.gz YCXBFVPHQSSLPQ-GJZGRUSLSA-N 2 0 274.364 1.817 10 0 CDAERP C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC(C)(C)C[NH3+] ZINC000923295385 684411516 /nfs/dbraw/zinc/41/15/16/684411516.db2.gz ZHUZARZEHJUFDW-AGUYFDCRSA-N 2 0 253.434 1.824 10 0 CDAERP C[NH+]1CCC(C)(C[NH2+][C@H]2CCOC23CCOCC3)CC1 ZINC000926116463 684430918 /nfs/dbraw/zinc/43/09/18/684430918.db2.gz ZVZZZZRGCFNQMZ-AWEZNQCLSA-N 2 0 282.428 1.646 10 0 CDAERP COC[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)OC ZINC000925630935 684445952 /nfs/dbraw/zinc/44/59/52/684445952.db2.gz FRFHIQKUDTUFTC-RRFJBIMHSA-N 2 0 270.417 1.406 10 0 CDAERP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925777430 684449642 /nfs/dbraw/zinc/44/96/42/684449642.db2.gz DOWOBWKMPQBMNF-NWDGAFQWSA-N 2 0 291.386 1.468 10 0 CDAERP CC[NH+]1CCC(CCNC(=[NH2+])N[C@H]2C[C@H]2C)CC1 ZINC000864458870 684493509 /nfs/dbraw/zinc/49/35/09/684493509.db2.gz VHSLRPOKMBRVBC-YPMHNXCESA-N 2 0 252.406 1.631 10 0 CDAERP Cc1cc(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)n(C)n1 ZINC000925668562 684494461 /nfs/dbraw/zinc/49/44/61/684494461.db2.gz XXNDNFJPPKPDMY-NEPJUHHUSA-N 2 0 250.390 1.724 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000925785761 684530782 /nfs/dbraw/zinc/53/07/82/684530782.db2.gz QSHUHFMWPAFYIH-JWDQPFGJSA-N 2 0 287.407 1.440 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@H]2CCCNC2=O)C1 ZINC000925686396 684556005 /nfs/dbraw/zinc/55/60/05/684556005.db2.gz SUOPLHPOEYSYKE-IJLUTSLNSA-N 2 0 253.390 1.008 10 0 CDAERP COC(=O)C1=CC[C@@H]([NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)C1 ZINC000863543060 684600115 /nfs/dbraw/zinc/60/01/15/684600115.db2.gz VKINCSYERNIKHR-GXFFZTMASA-N 2 0 289.379 1.761 10 0 CDAERP C[C@@H]1C[N@@H+]([C@H]2CCc3ccccc3NC2=O)CC[C@H]1C[NH3+] ZINC000923495463 684605397 /nfs/dbraw/zinc/60/53/97/684605397.db2.gz WCUUWZIQSORAFU-INWMFGNUSA-N 2 0 287.407 1.857 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC000926823909 684606334 /nfs/dbraw/zinc/60/63/34/684606334.db2.gz VHCGKZPYICVUIK-WJLOJVBCSA-N 2 0 252.402 1.731 10 0 CDAERP [NH3+]C[C@H]1CN(C[C@@H](O)c2ccccc2)C[C@H]1C(F)(F)F ZINC000720860325 684617323 /nfs/dbraw/zinc/61/73/23/684617323.db2.gz WIPVISRGFWGHIP-YNEHKIRRSA-N 2 0 288.313 1.789 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCOC(F)(F)F ZINC000926256563 684620354 /nfs/dbraw/zinc/62/03/54/684620354.db2.gz SJGNBQLFJMNBPC-ULKQDVFKSA-N 2 0 252.280 1.453 10 0 CDAERP CC(C)(C[NH2+][C@@H]1CCCCC[C@@H]1N)CS(C)(=O)=O ZINC000925834580 684620757 /nfs/dbraw/zinc/62/07/57/684620757.db2.gz ZBCWKOIGBKLZPJ-NWDGAFQWSA-N 2 0 276.446 1.307 10 0 CDAERP CC1(C)[C@H]([NH2+]C[C@@H](CO)Cc2ccco2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925475355 684622571 /nfs/dbraw/zinc/62/25/71/684622571.db2.gz MBGSDCIFUMHEBL-DRPJVOAASA-N 2 0 292.423 1.797 10 0 CDAERP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@]2(O)CCCOC2)cc1 ZINC000859212729 684632466 /nfs/dbraw/zinc/63/24/66/684632466.db2.gz NMNJSNHGFDZPCO-QGZVFWFLSA-N 2 0 292.423 1.722 10 0 CDAERP C[N@H+](CCc1cccs1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923316399 684634003 /nfs/dbraw/zinc/63/40/03/684634003.db2.gz ILMAZUXMPYJQBZ-LBPRGKRZSA-N 2 0 266.410 1.601 10 0 CDAERP C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000831970251 684651347 /nfs/dbraw/zinc/65/13/47/684651347.db2.gz AUIQMOBEYIQTFH-QLFBSQMISA-N 2 0 281.444 1.885 10 0 CDAERP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccns1 ZINC000925215799 684655929 /nfs/dbraw/zinc/65/59/29/684655929.db2.gz PFDMAOAEEAGJBN-LBPRGKRZSA-N 2 0 282.457 1.820 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC000810174793 684670000 /nfs/dbraw/zinc/67/00/00/684670000.db2.gz YUJJYCHWTXKCOB-CZUORRHYSA-N 2 0 299.434 1.655 10 0 CDAERP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H]2C[C@H](OC)C2)CC[NH2+]CC1 ZINC000925735791 684690278 /nfs/dbraw/zinc/69/02/78/684690278.db2.gz IIBWHOGDJBEJPI-MGPQQGTHSA-N 2 0 298.427 1.322 10 0 CDAERP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H]2CCC3(COC3)O2)C1 ZINC000929778967 684695135 /nfs/dbraw/zinc/69/51/35/684695135.db2.gz LMLLWTMNLBNEFJ-HUUCEWRRSA-N 2 0 282.428 1.598 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000779519400 684702027 /nfs/dbraw/zinc/70/20/27/684702027.db2.gz CUADHCSGPSRJQR-HNNXBMFYSA-N 2 0 292.427 1.610 10 0 CDAERP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000926113054 684703051 /nfs/dbraw/zinc/70/30/51/684703051.db2.gz BIFPZDSMAZPQSR-WDNDVIMCSA-N 2 0 254.418 1.979 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1cccc(Cl)n1 ZINC000706697549 684723167 /nfs/dbraw/zinc/72/31/67/684723167.db2.gz MSXSQDKCFOPHLK-UHFFFAOYSA-N 2 0 257.765 1.403 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+]Cc1nc2c(s1)COCC2 ZINC000925881839 684762925 /nfs/dbraw/zinc/76/29/25/684762925.db2.gz VOWXKBLQIDCXTC-SNVBAGLBSA-N 2 0 269.414 1.823 10 0 CDAERP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000870973396 684787617 /nfs/dbraw/zinc/78/76/17/684787617.db2.gz UXZLVSROYAZMIR-COWZWYNKSA-N 2 0 277.412 1.164 10 0 CDAERP Cc1nccn1CCNC(=O)C(C)(C)[C@@H]([NH3+])C(C)C ZINC000713016690 684806093 /nfs/dbraw/zinc/80/60/93/684806093.db2.gz PREIMWHLTCEPTE-LBPRGKRZSA-N 2 0 266.389 1.317 10 0 CDAERP CC(C)COC[C@H](O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000923326964 684806421 /nfs/dbraw/zinc/80/64/21/684806421.db2.gz ABKKWFHEBBJDIO-XHSDSOJGSA-N 2 0 284.444 1.484 10 0 CDAERP C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(F)cc2)C[C@H]1CC[NH3+] ZINC000923432204 684826243 /nfs/dbraw/zinc/82/62/43/684826243.db2.gz XRUXVDYTFOICMO-UMVBOHGHSA-N 2 0 296.386 1.482 10 0 CDAERP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccoc2)CC1 ZINC000092615824 684831438 /nfs/dbraw/zinc/83/14/38/684831438.db2.gz YWCFNVXGEFMAMB-UHFFFAOYSA-N 2 0 279.384 1.169 10 0 CDAERP CCN(C(=O)C[NH2+][C@H](CCC[NH3+])COC)c1ccccc1 ZINC000925814477 684843727 /nfs/dbraw/zinc/84/37/27/684843727.db2.gz LUEOQOQPAJONJV-CQSZACIVSA-N 2 0 293.411 1.383 10 0 CDAERP C([C@H]1CC2(CO1)CCOCC2)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516307 684858091 /nfs/dbraw/zinc/85/80/91/684858091.db2.gz YNDKTMIZNDEMCU-RRFJBIMHSA-N 2 0 280.412 1.113 10 0 CDAERP Cc1ccccc1CNC(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923500160 684862653 /nfs/dbraw/zinc/86/26/53/684862653.db2.gz OKTXWSAYGVEPGZ-CABCVRRESA-N 2 0 289.423 1.528 10 0 CDAERP CC(C)OCC[C@H](O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000923364034 684868635 /nfs/dbraw/zinc/86/86/35/684868635.db2.gz ICQCNCDAQQCBTO-PMPSAXMXSA-N 2 0 284.444 1.626 10 0 CDAERP C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1cnn(C)n1 ZINC000926797209 684880734 /nfs/dbraw/zinc/88/07/34/684880734.db2.gz NDTYZOXNEMAVRR-LKSINWNRSA-N 2 0 265.405 1.729 10 0 CDAERP Cc1cn(C)nc1CN1CCCN(c2cc[nH+]cc2)CC1 ZINC000930806701 684890316 /nfs/dbraw/zinc/89/03/16/684890316.db2.gz VGUUOBPKXMMSGV-UHFFFAOYSA-N 2 0 285.395 1.836 10 0 CDAERP CCN1C[C@@H](CN2CC[C@H](C[N@H+](C)CC)C2)OC1=O ZINC000846811067 684897904 /nfs/dbraw/zinc/89/79/04/684897904.db2.gz HJJMMJVZFKTCOG-CHWSQXEVSA-N 2 0 269.389 1.101 10 0 CDAERP CN(C[C@H]1CCC[N@@H+]1C)C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000817496099 684906259 /nfs/dbraw/zinc/90/62/59/684906259.db2.gz ROUABLGSTYMNIV-CZUORRHYSA-N 2 0 299.434 1.752 10 0 CDAERP C[C@@H](C[NH+](C)C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000811527011 684909382 /nfs/dbraw/zinc/90/93/82/684909382.db2.gz FXANGKUXRMZFGM-FZMZJTMJSA-N 2 0 273.396 1.265 10 0 CDAERP COC1CC[NH+](C(C)(C)CN[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925558316 684928584 /nfs/dbraw/zinc/92/85/84/684928584.db2.gz SVZNAZRABUFUEP-OAHLLOKOSA-N 2 0 295.471 1.750 10 0 CDAERP C[N@@H+]1CC[C@H]2CN(C(=O)[C@H]([NH3+])c3ccccc3)CC[C@@H]21 ZINC000870982696 684959098 /nfs/dbraw/zinc/95/90/98/684959098.db2.gz OMDAYTIEQGRLOT-SOUVJXGZSA-N 2 0 273.380 1.239 10 0 CDAERP C[C@@H]1COCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000399264373 685036849 /nfs/dbraw/zinc/03/68/49/685036849.db2.gz NDQKYXGPKQWXFN-ZDUSSCGKSA-N 2 0 260.381 1.801 10 0 CDAERP CC[N@@H+]1CC[C@H]1CNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000922159772 685040436 /nfs/dbraw/zinc/04/04/36/685040436.db2.gz URFRAODMAUPIMN-JKSUJKDBSA-N 2 0 289.423 1.890 10 0 CDAERP C(C[N@@H+]1CCC2(C1)CC[NH2+]CC2)OC1CCOCC1 ZINC000701389144 685042121 /nfs/dbraw/zinc/04/21/21/685042121.db2.gz ZRLRWYLJBWGFDY-UHFFFAOYSA-N 2 0 268.401 1.258 10 0 CDAERP C[NH2+]CCCN1CCOC[C@H]1C[C@@H]1CNc2ccccc21 ZINC000923549474 685042459 /nfs/dbraw/zinc/04/24/59/685042459.db2.gz JPRZEMLNQKZXHS-HUUCEWRRSA-N 2 0 289.423 1.896 10 0 CDAERP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2COCC2(C)C)CC1 ZINC000313105962 685142442 /nfs/dbraw/zinc/14/24/42/685142442.db2.gz IWEFWFCZYCWIAG-ZDUSSCGKSA-N 2 0 269.433 1.027 10 0 CDAERP CC1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)OCCO1 ZINC000850234181 685168886 /nfs/dbraw/zinc/16/88/86/685168886.db2.gz RDFGPCKBZLFAJY-UHFFFAOYSA-N 2 0 274.324 1.120 10 0 CDAERP CCn1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)cn1 ZINC000925568968 685690979 /nfs/dbraw/zinc/69/09/79/685690979.db2.gz NJOCHSMNERIVNM-CHWSQXEVSA-N 2 0 250.390 1.899 10 0 CDAERP CSC[C@@H](O)C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000923428199 685784194 /nfs/dbraw/zinc/78/41/94/685784194.db2.gz NISJJNYZKFWPEG-STQMWFEESA-N 2 0 258.431 1.176 10 0 CDAERP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)CC1 ZINC000924629657 685835182 /nfs/dbraw/zinc/83/51/82/685835182.db2.gz RDDDPBOHHCYWBE-XHSDSOJGSA-N 2 0 277.456 1.957 10 0 CDAERP COC[C@@H](CC[NH2+][C@H]1CC[NH2+]C12CCCC2)OC ZINC000925714048 685837743 /nfs/dbraw/zinc/83/77/43/685837743.db2.gz NDWPHDXAWAAKCA-OLZOCXBDSA-N 2 0 256.390 1.302 10 0 CDAERP [NH3+][C@H]1CCCCCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870973807 685846084 /nfs/dbraw/zinc/84/60/84/685846084.db2.gz FZPFYZHYSZMKOP-JKJDWNRSSA-N 2 0 293.455 1.931 10 0 CDAERP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000854229494 685849323 /nfs/dbraw/zinc/84/93/23/685849323.db2.gz PLBXHZSUBKZVAB-KXNHARMFSA-N 2 0 260.328 1.518 10 0 CDAERP C[C@H](CN[C@H]1C[C@H]([NH3+])C12CCC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000925545847 685914884 /nfs/dbraw/zinc/91/48/84/685914884.db2.gz CTVAISRIEDAIAK-KBXIAJHMSA-N 2 0 265.445 1.966 10 0 CDAERP CCOC(=O)[C@@H]1C[C@H]1C[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000929782941 685929609 /nfs/dbraw/zinc/92/96/09/685929609.db2.gz XIMYGQWFSZJTGB-LXTVHRRPSA-N 2 0 282.428 1.990 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923381604 685948141 /nfs/dbraw/zinc/94/81/41/685948141.db2.gz JUROIIROFORIOU-ARQSVGKCSA-N 3 0 251.418 1.767 10 0 CDAERP COC(=O)[C@H]1C[C@@H]([N@H+](C)CCCCCCC[NH3+])C1 ZINC000852761371 685955424 /nfs/dbraw/zinc/95/54/24/685955424.db2.gz VGRCETUOGUPXCS-BETUJISGSA-N 2 0 256.390 1.779 10 0 CDAERP CC1(C)[C@@H]([NH2+][C@@H]2CCc3c[nH]nc3C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925618330 685965470 /nfs/dbraw/zinc/96/54/70/685965470.db2.gz ZLDUDKCQSOXXAQ-UXOAXIEHSA-N 2 0 274.412 1.633 10 0 CDAERP OCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716714643 686047065 /nfs/dbraw/zinc/04/70/65/686047065.db2.gz VAUGIQGDRLIRCA-XHSDSOJGSA-N 2 0 260.381 1.621 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC[C@@H]1CCOC1 ZINC000926542922 686146510 /nfs/dbraw/zinc/14/65/10/686146510.db2.gz JFCXKRDNMRNNTG-JKXDFHQYSA-N 2 0 252.402 1.733 10 0 CDAERP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)C(C)(C)CO ZINC000925092757 686166595 /nfs/dbraw/zinc/16/65/95/686166595.db2.gz DKSRKGGIODOIEP-KBPBESRZSA-N 2 0 284.444 1.484 10 0 CDAERP CC[C@@H](C[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)OC ZINC001266706238 1158773490 /nfs/dbraw/zinc/77/34/90/1158773490.db2.gz HYCHXJHANMPTDN-SOUVJXGZSA-N 2 0 299.459 1.190 10 0 CDAERP CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000925334194 686342653 /nfs/dbraw/zinc/34/26/53/686342653.db2.gz KFMGDUXRSHCMLZ-ZIAGYGMSSA-N 2 0 284.448 1.452 10 0 CDAERP Cn1ccnc1[C@H](O)[C@H]1CCC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261953964 686366872 /nfs/dbraw/zinc/36/68/72/686366872.db2.gz GKAMIKUEKCLVFS-LZWOXQAQSA-N 2 0 292.427 1.165 10 0 CDAERP CC(C)COC[C@H](O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000923326963 686396160 /nfs/dbraw/zinc/39/61/60/686396160.db2.gz ABKKWFHEBBJDIO-OAGGEKHMSA-N 2 0 284.444 1.484 10 0 CDAERP CN1C(=O)c2ccccc2[C@@H]1C[NH2+]C1[C@@H]2CC[C@H]1C[N@@H+](C)C2 ZINC000926762693 686441425 /nfs/dbraw/zinc/44/14/25/686441425.db2.gz BFDAEYFDKATAHZ-XLKCZGELSA-N 2 0 299.418 1.743 10 0 CDAERP C[NH+](C)C1(C)CCC([NH2+][C@H]2CN3C[C@@H]2CCC3)CC1 ZINC000926795831 686443674 /nfs/dbraw/zinc/44/36/74/686443674.db2.gz IVKKFTTVIYQMFT-UIDBIOKJSA-N 2 0 265.445 1.933 10 0 CDAERP C[C@@H](c1ccncc1)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923451633 686562933 /nfs/dbraw/zinc/56/29/33/686562933.db2.gz OUZDAOQZSXBARL-ZFWWWQNUSA-N 2 0 275.396 1.972 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc2c(c1)CCC(=O)N2C ZINC000841062566 686564682 /nfs/dbraw/zinc/56/46/82/686564682.db2.gz AOTRXZBFEUXDNH-DOMZBBRYSA-N 2 0 287.407 1.683 10 0 CDAERP C[NH2+]C[C@H]1CCC[N@H+](CCc2ccc(C(N)=O)cc2)C1 ZINC000866661594 686598480 /nfs/dbraw/zinc/59/84/80/686598480.db2.gz JGXXFGPBTGUIAI-CQSZACIVSA-N 2 0 275.396 1.259 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)CC1 ZINC000925817406 686598618 /nfs/dbraw/zinc/59/86/18/686598618.db2.gz RKSQJXQJEARKKS-SQWLQELKSA-N 2 0 281.444 1.204 10 0 CDAERP C[N@@H+]1C[C@@H]2C[NH+](C[C@H]3CC(C)(C)CO3)C[C@]2(C)C1 ZINC000933734097 686603377 /nfs/dbraw/zinc/60/33/77/686603377.db2.gz LOFZDWJEKFOWMZ-NFAWXSAZSA-N 2 0 252.402 1.685 10 0 CDAERP OCCC[N@@H+](Cc1ccccc1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923389013 686618094 /nfs/dbraw/zinc/61/80/94/686618094.db2.gz RPRRAYPGMBOHIL-MRXNPFEDSA-N 2 0 290.407 1.250 10 0 CDAERP C[C@@H](CNC(=O)C[N@H+](C)CC1CC1)[NH+](C)CC1CC1 ZINC000929289388 686664912 /nfs/dbraw/zinc/66/49/12/686664912.db2.gz AAXJDMSBNQSUNG-LBPRGKRZSA-N 2 0 267.417 1.175 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CC[C@@H]2C2CC2)CC1 ZINC000854231291 686672618 /nfs/dbraw/zinc/67/26/18/686672618.db2.gz IRDBBUODLOVQHL-CVEARBPZSA-N 2 0 293.455 1.755 10 0 CDAERP CC(C)[NH2+]CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001266741524 1158797103 /nfs/dbraw/zinc/79/71/03/1158797103.db2.gz XSYJZNXFSQETNE-KBPBESRZSA-N 2 0 267.417 1.460 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)NCC1([NH+](C)C)CC1 ZINC000922989052 686727337 /nfs/dbraw/zinc/72/73/37/686727337.db2.gz YEIRJTXTBPJPFJ-UHFFFAOYSA-N 2 0 284.448 1.500 10 0 CDAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](C[C@H](O)CC1CCCC1)CC2 ZINC000923438671 686729341 /nfs/dbraw/zinc/72/93/41/686729341.db2.gz BJBLJSQDVXPBMD-HZPDHXFCSA-N 2 0 296.455 1.757 10 0 CDAERP CCOC(=O)CC(C)(C)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000839113101 686737176 /nfs/dbraw/zinc/73/71/76/686737176.db2.gz XWKURILWLYRUPJ-MRXNPFEDSA-N 2 0 282.428 1.993 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CNCC2(CCOCC2)C1 ZINC000925798194 686743104 /nfs/dbraw/zinc/74/31/04/686743104.db2.gz PHTMVEXCPFLBCE-LXINESAQSA-N 2 0 293.455 1.251 10 0 CDAERP Oc1ccc(Cl)c(CN2CC[NH2+]CC[NH2+]CC2)c1 ZINC000923461180 686759850 /nfs/dbraw/zinc/75/98/50/686759850.db2.gz UDGJSVBRUVZHIE-UHFFFAOYSA-N 2 0 269.776 1.040 10 0 CDAERP C[C@H]1CC2(C[N@@H+]1CCC[NH2+]C1CC1)CC[NH2+]CC2 ZINC000923382763 686797663 /nfs/dbraw/zinc/79/76/63/686797663.db2.gz FNDOHNODZXOUDX-ZDUSSCGKSA-N 3 0 251.418 1.593 10 0 CDAERP CC1(C)[C@@H]([NH2+]CCCN2CCOCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925489871 686804594 /nfs/dbraw/zinc/80/45/94/686804594.db2.gz CGDWEUGKSABLTP-ILXRZTDVSA-N 2 0 281.444 1.075 10 0 CDAERP CC[C@H]1CCN(C(=[NH2+])NCC(C)(C)C[NH+](C)C)C1 ZINC000864450901 686812811 /nfs/dbraw/zinc/81/28/11/686812811.db2.gz BEGUSIYYNKUKGQ-LBPRGKRZSA-N 2 0 254.422 1.830 10 0 CDAERP CCC[NH+]1CCC(CNC(=[NH2+])N[C@H]2C[C@@H]2C)CC1 ZINC000864457910 686822534 /nfs/dbraw/zinc/82/25/34/686822534.db2.gz VRYKKEFEQXJULR-AAEUAGOBSA-N 2 0 252.406 1.631 10 0 CDAERP CNC(=O)C[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925689565 686822729 /nfs/dbraw/zinc/82/27/29/686822729.db2.gz SCZRWZVTDQIYJZ-YUTCNCBUSA-N 2 0 267.417 1.269 10 0 CDAERP C[C@H]([NH2+]CC[C@H]1CCC2(CCOCC2)CO1)C1C[NH2+]C1 ZINC000925773742 686851173 /nfs/dbraw/zinc/85/11/73/686851173.db2.gz OXSLRYPVCXGKPM-DZGCQCFKSA-N 2 0 282.428 1.550 10 0 CDAERP Cc1cc(N2CC[C@@H]([NH+]3CCCCC3)C2)nc(N)[nH+]1 ZINC000113427436 686872155 /nfs/dbraw/zinc/87/21/55/686872155.db2.gz NODAQWCNPTUVPD-GFCCVEGCSA-N 2 0 261.373 1.432 10 0 CDAERP c1cc(N2CCC[N@@H+](CCO[C@@H]3CCOC3)CC2)cc[nH+]1 ZINC000930805742 686889964 /nfs/dbraw/zinc/88/99/64/686889964.db2.gz JOZXBYIPXFMCGO-MRXNPFEDSA-N 2 0 291.395 1.399 10 0 CDAERP C[C@@H]1[C@H](C)N(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CCN1C ZINC000810866041 686893397 /nfs/dbraw/zinc/89/33/97/686893397.db2.gz RBFIDNIRHJKOAJ-WWGRRREGSA-N 2 0 299.434 1.750 10 0 CDAERP C[C@@H]1CC[NH2+][C@H](C(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000126770623 686897921 /nfs/dbraw/zinc/89/79/21/686897921.db2.gz FTBWVGMOVNAKLW-ZBFHGGJFSA-N 2 0 293.455 1.709 10 0 CDAERP CO[C@H](C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1)C1CCC1 ZINC000923447776 686922242 /nfs/dbraw/zinc/92/22/42/686922242.db2.gz WVJKYIUBSBPSMD-HUUCEWRRSA-N 2 0 282.428 1.631 10 0 CDAERP O=C(CCC12CC(C1)C[NH2+]2)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000870852674 686945290 /nfs/dbraw/zinc/94/52/90/686945290.db2.gz KADQYYFPKDVQEW-KRIMKBQASA-N 2 0 291.439 1.509 10 0 CDAERP CO[C@@H]1C[C@H]([NH2+]CCOCC[NH+](C)C)C12CCC2 ZINC000308341032 687007976 /nfs/dbraw/zinc/00/79/76/687007976.db2.gz BOVJNBWQTWGRQM-QWHCGFSZSA-N 2 0 256.390 1.112 10 0 CDAERP CC1(C)C[C@@H]([NH2+]CCCO[C@H]2CCOC2)C[C@@H]([NH3+])C1 ZINC000925553630 687021624 /nfs/dbraw/zinc/02/16/24/687021624.db2.gz UJIWJBXPJZJYKQ-RDBSUJKOSA-N 2 0 270.417 1.678 10 0 CDAERP CC(C)[C@@H]1CCN(C[N@H+](C)CC2CC[NH+](C)CC2)C1=O ZINC000853495463 687023108 /nfs/dbraw/zinc/02/31/08/687023108.db2.gz WDLAFTBMDDZIFL-HNNXBMFYSA-N 2 0 281.444 1.722 10 0 CDAERP C1C[C@H]2C[C@H]([NH2+][C@H]3CCCC[NH2+]C3)CC[C@H]2CO1 ZINC000925709230 687034281 /nfs/dbraw/zinc/03/42/81/687034281.db2.gz VASLAVPFRSWTNA-XQLPTFJDSA-N 2 0 252.402 1.923 10 0 CDAERP COCCC[NH+]1CCC([NH2+][C@@H]2[C@@H](C)COC[C@H]2C)CC1 ZINC000924912196 687034398 /nfs/dbraw/zinc/03/43/98/687034398.db2.gz LUUUKVBITADYQX-FOLVSLTJSA-N 2 0 284.444 1.748 10 0 CDAERP CC(C)N(C(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1)C(C)C ZINC000923504193 687036945 /nfs/dbraw/zinc/03/69/45/687036945.db2.gz PPHNILVRTPMEPX-ZIAGYGMSSA-N 2 0 269.433 1.549 10 0 CDAERP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1c2ccccc2[C@H]([NH3+])C1(C)C ZINC000867988984 687038276 /nfs/dbraw/zinc/03/82/76/687038276.db2.gz YUBXZLIQXQDTNV-MJVIPROJSA-N 2 0 273.380 1.810 10 0 CDAERP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H](CO)Cc1ccccc1)[NH2+]2 ZINC000709414786 687092254 /nfs/dbraw/zinc/09/22/54/687092254.db2.gz BMIAEHYPVGBJOJ-DWBZUHSKSA-N 2 0 274.408 1.709 10 0 CDAERP CC[C@H]1CCN(C(=[NH2+])NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000864452045 687093882 /nfs/dbraw/zinc/09/38/82/687093882.db2.gz LHCSDNHXOCPURB-STQMWFEESA-N 2 0 264.417 1.727 10 0 CDAERP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccnc(-c3ccccn3)n2)C1 ZINC000925761633 687120873 /nfs/dbraw/zinc/12/08/73/687120873.db2.gz DBEVHUCREZNTDU-QWHCGFSZSA-N 2 0 283.379 1.898 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCNC(=O)c2ccccc2)C1 ZINC000925570446 687123362 /nfs/dbraw/zinc/12/33/62/687123362.db2.gz AKLJOPLWWVPYLC-GJZGRUSLSA-N 2 0 289.423 1.912 10 0 CDAERP CCCCOC[C@H](O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000227883192 687145059 /nfs/dbraw/zinc/14/50/59/687145059.db2.gz MFYAHUDSDWEUQX-JXQTWKCFSA-N 2 0 258.406 1.366 10 0 CDAERP CC[C@H](c1ccc(F)cc1F)N1CC[NH2+]CC[NH2+]CC1 ZINC000923461991 687146048 /nfs/dbraw/zinc/14/60/48/687146048.db2.gz ZPHBALVTNOGCQO-OAHLLOKOSA-N 2 0 283.366 1.911 10 0 CDAERP C[C@@H]1[C@H](NC(=O)N2CCC[C@@H]3C[NH+](C)CC[C@@H]32)CC[N@@H+]1C ZINC000925333942 687150618 /nfs/dbraw/zinc/15/06/18/687150618.db2.gz YBKKPDANJXYHSY-TUVASFSCSA-N 2 0 294.443 1.205 10 0 CDAERP [NH3+]CCCCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000708834576 687154358 /nfs/dbraw/zinc/15/43/58/687154358.db2.gz FUJPOBUWWYGZCC-KGLIPLIRSA-N 2 0 288.457 1.547 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCc1nc2c(s1)CCC2 ZINC000925829422 687154652 /nfs/dbraw/zinc/15/46/52/687154652.db2.gz DGWZQLRIZVXEBG-NSHDSACASA-N 2 0 283.441 1.518 10 0 CDAERP C[C@H](C[C@H]1CCOC1)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000850500226 687201761 /nfs/dbraw/zinc/20/17/61/687201761.db2.gz DQCMDMDMNJYOED-OWCLPIDISA-N 2 0 285.476 1.663 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000841848098 687225555 /nfs/dbraw/zinc/22/55/55/687225555.db2.gz UYXMWJNDTXDWFQ-AWEZNQCLSA-N 2 0 291.395 1.741 10 0 CDAERP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCOC23CCOCC3)C1 ZINC000924755982 687233663 /nfs/dbraw/zinc/23/36/63/687233663.db2.gz XXHMYTWFZOBYLV-HUUCEWRRSA-N 2 0 282.428 1.646 10 0 CDAERP Cc1nc(C)c(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)o1 ZINC000923442489 687335777 /nfs/dbraw/zinc/33/57/77/687335777.db2.gz QOWLYSPZTYMCBL-CYBMUJFWSA-N 2 0 279.384 1.621 10 0 CDAERP CC[C@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)[C@H]1CCCOC1 ZINC000872062239 687340223 /nfs/dbraw/zinc/34/02/23/687340223.db2.gz FBGNVCBPCMDSII-IKGGRYGDSA-N 2 0 297.487 1.807 10 0 CDAERP C[N@H+](CCCCCC[NH3+])CC(=O)NC1CCCCC1 ZINC000710833735 687350257 /nfs/dbraw/zinc/35/02/57/687350257.db2.gz KWSXEHCXRKHGOZ-UHFFFAOYSA-N 2 0 269.433 1.886 10 0 CDAERP CC(C)(C)N1CC[C@H]([NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1=O ZINC000925708175 687379706 /nfs/dbraw/zinc/37/97/06/687379706.db2.gz GKBJHKCWQMWDAD-AGIUHOORSA-N 2 0 281.444 1.881 10 0 CDAERP CC(C)(CN[C@H]1C[N@@H+]2C[C@@H]1CCC2)C[NH+]1CCCC1 ZINC000926276609 687384499 /nfs/dbraw/zinc/38/44/99/687384499.db2.gz YNZKCSAUQFDJGS-GJZGRUSLSA-N 2 0 265.445 1.792 10 0 CDAERP CC(C)[NH2+]CC(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000851632952 687401201 /nfs/dbraw/zinc/40/12/01/687401201.db2.gz ZIOSEJILROPFRL-UHFFFAOYSA-N 2 0 261.369 1.423 10 0 CDAERP [NH3+]C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@H]1C(F)(F)F ZINC000872150125 687405935 /nfs/dbraw/zinc/40/59/35/687405935.db2.gz YNWGSCWYSQTSPD-GHMZBOCLSA-N 3 0 265.323 1.055 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[C@@H](C(F)(F)F)O2)C1 ZINC000722391173 687575611 /nfs/dbraw/zinc/57/56/11/687575611.db2.gz FTDWNLIIWHQIRM-YTWAJWBKSA-N 2 0 266.307 1.956 10 0 CDAERP C[C@@H]1C[C@H](N[C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC[N@@H+]1C ZINC000925514440 687658460 /nfs/dbraw/zinc/65/84/60/687658460.db2.gz FKNNGKUKQDQIIJ-ZSAUSMIDSA-N 2 0 265.445 1.835 10 0 CDAERP CC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000922163163 687690027 /nfs/dbraw/zinc/69/00/27/687690027.db2.gz LRESDMSXRGLHNP-JHJVBQTASA-N 2 0 253.390 1.070 10 0 CDAERP C[C@@H]1CC[C@@H]([NH2+]CCN2CCC([NH3+])CC2)[C@@H](C)C1 ZINC000925813606 687702362 /nfs/dbraw/zinc/70/23/62/687702362.db2.gz XDOSDTNCEZZQFC-VNHYZAJKSA-N 2 0 253.434 1.824 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)CCC23CC(C2)C[NH2+]3)C1 ZINC000870956414 687720268 /nfs/dbraw/zinc/72/02/68/687720268.db2.gz VSAWCOKKAOCNJT-OWYJLGKBSA-N 2 0 265.401 1.119 10 0 CDAERP CCCCCC[N@H+](C)CC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000834636418 687742324 /nfs/dbraw/zinc/74/23/24/687742324.db2.gz OJHUOEMBQLGNRH-KBPBESRZSA-N 2 0 269.433 1.613 10 0 CDAERP OCCCCCC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000863575879 687774828 /nfs/dbraw/zinc/77/48/28/687774828.db2.gz SHMOUPAATIEHQK-INIZCTEOSA-N 2 0 284.444 1.630 10 0 CDAERP CC1(C)[C@H](O)CC[NH+]1C/C=C/C[N@H+]1CC[C@H](O)C1(C)C ZINC000812865825 687809152 /nfs/dbraw/zinc/80/91/52/687809152.db2.gz TVYSQHFYRQRUPX-DLPZHFSESA-N 2 0 282.428 1.233 10 0 CDAERP CCC[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C[C@@H]1CCCCO1 ZINC000923311418 687819913 /nfs/dbraw/zinc/81/99/13/687819913.db2.gz LRNIJSLXCQXYLN-GJZGRUSLSA-N 2 0 282.428 1.646 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000852871000 687836820 /nfs/dbraw/zinc/83/68/20/687836820.db2.gz JLDIKILKJCQKPN-UONOGXRCSA-N 2 0 279.428 1.650 10 0 CDAERP C[N@H+](C[C@@H](O)Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923328626 687863137 /nfs/dbraw/zinc/86/31/37/687863137.db2.gz MMIUKPIGAJWLPH-WFVVYAPDSA-N 2 0 274.408 1.805 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]CCC[C@H]2CCOC2=O)[C@@H](C)C1 ZINC000872114325 687895656 /nfs/dbraw/zinc/89/56/56/687895656.db2.gz XLJQMFBMEIMWDG-IHRRRGAJSA-N 2 0 268.401 1.650 10 0 CDAERP C[C@H](CCS(C)(=O)=O)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925560530 687898789 /nfs/dbraw/zinc/89/87/89/687898789.db2.gz MRGOPSGSLMFETN-UTUOFQBUSA-N 2 0 276.446 1.305 10 0 CDAERP CC(C)(C)[C@H]([NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(N)=O ZINC000923319023 687911698 /nfs/dbraw/zinc/91/16/98/687911698.db2.gz SHINGBHPDBNVMO-PSEXLTFBSA-N 2 0 267.417 1.397 10 0 CDAERP c1cc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(C2CC2)c[nH+]1 ZINC000872432012 688006943 /nfs/dbraw/zinc/00/69/43/688006943.db2.gz KIZGYZOWNFLJPL-UONOGXRCSA-N 2 0 273.380 1.656 10 0 CDAERP CN1CCC[C@@H]([N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)C1=O ZINC000866705968 688016440 /nfs/dbraw/zinc/01/64/40/688016440.db2.gz DGLKMCYCCOMSQD-DOMZBBRYSA-N 2 0 267.417 1.304 10 0 CDAERP CC[NH2+]CC1CCN(C(=O)[C@H]([NH3+])[C@H](C)CC)CC1 ZINC000236994284 688064389 /nfs/dbraw/zinc/06/43/89/688064389.db2.gz WQWYMNMREDCRLB-DGCLKSJQSA-N 2 0 255.406 1.208 10 0 CDAERP CC(C)(C)OC(=O)NC1(C(N)=[NH2+])CC[NH+](C2CC2)CC1 ZINC000685947444 688146926 /nfs/dbraw/zinc/14/69/26/688146926.db2.gz KMAJQPNKOHTMRV-UHFFFAOYSA-N 2 0 282.388 1.444 10 0 CDAERP C(COC1CCOCC1)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000701389528 688173712 /nfs/dbraw/zinc/17/37/12/688173712.db2.gz JJEQIEQJQUZJDA-UONOGXRCSA-N 2 0 268.401 1.398 10 0 CDAERP COCCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001691069350 1158882801 /nfs/dbraw/zinc/88/28/01/1158882801.db2.gz JCWDZNGTHUNUDW-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001691157650 1158938068 /nfs/dbraw/zinc/93/80/68/1158938068.db2.gz YDDPURYHUVWYMG-INIZCTEOSA-N 2 0 293.455 1.877 10 0 CDAERP CC[C@@H](C)C[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001691364669 1159037010 /nfs/dbraw/zinc/03/70/10/1159037010.db2.gz FPBRNQTWMINMRI-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP c1nnc([C@H]2CCC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)n1C1CC1 ZINC001772532095 1158736875 /nfs/dbraw/zinc/73/68/75/1158736875.db2.gz SHNBQKYZIPKUAH-KBPBESRZSA-N 2 0 289.427 1.792 10 0 CDAERP CO[C@@H](C)C[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)C(C)C ZINC001732015723 1159689604 /nfs/dbraw/zinc/68/96/04/1159689604.db2.gz WEJSHGGAOBRTOM-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)C1([NH+](C)C)CCCC1 ZINC001639789779 1166970376 /nfs/dbraw/zinc/97/03/76/1166970376.db2.gz DRWVYHCAFOOSJX-UHFFFAOYSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)[C@H](C)CC[NH+](C)C ZINC001644417106 1167315600 /nfs/dbraw/zinc/31/56/00/1167315600.db2.gz ZHXPSWFAOYMHIC-CQSZACIVSA-N 2 0 271.449 1.668 10 0 CDAERP [NH3+][C@H]1CCCC[C@@H]1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC001647248510 1168488451 /nfs/dbraw/zinc/48/84/51/1168488451.db2.gz SBNXBGRDTYNONY-GJZGRUSLSA-N 2 0 288.395 1.248 10 0 CDAERP CC(C)[NH2+][C@@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001567059041 1168539343 /nfs/dbraw/zinc/53/93/43/1168539343.db2.gz FOYWCXRGWBJCFT-UONOGXRCSA-N 2 0 269.433 1.754 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001567900290 1169049254 /nfs/dbraw/zinc/04/92/54/1169049254.db2.gz MFOAUIWOBNEZOY-CQSZACIVSA-N 2 0 267.417 1.463 10 0 CDAERP CC[C@H](F)C[NH2+]C/C=C\CNC(=O)C[NH+]1CCC(C)CC1 ZINC001568939453 1169554639 /nfs/dbraw/zinc/55/46/39/1169554639.db2.gz MIZUADITDMWACH-XVWMLYKFSA-N 2 0 299.434 1.728 10 0 CDAERP CCC[NH2+]C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1CC1 ZINC001569320657 1169763626 /nfs/dbraw/zinc/76/36/26/1169763626.db2.gz YETVPKQTZIQRCU-STQMWFEESA-N 2 0 255.406 1.221 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@@H](CC[NH2+]CC2CCCC2)C1 ZINC001570001119 1170057189 /nfs/dbraw/zinc/05/71/89/1170057189.db2.gz ZZVRYBGYMAQZIC-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP CC[NH2+]CC1(NC(=O)CC[N@H+](C)CC)CCCCC1 ZINC001570804558 1170282377 /nfs/dbraw/zinc/28/23/77/1170282377.db2.gz NUGFXESTGKAEEX-UHFFFAOYSA-N 2 0 269.433 1.757 10 0 CDAERP O=C(CCC[NH+]1CCCC1)N[C@H]1CC[C@H](C[NH2+]CCF)C1 ZINC001571550253 1170473764 /nfs/dbraw/zinc/47/37/64/1170473764.db2.gz MGEQEJZOEPJGPJ-GJZGRUSLSA-N 2 0 299.434 1.706 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCNc2cc[nH+]cc2)C1 ZINC001650724772 1171252821 /nfs/dbraw/zinc/25/28/21/1171252821.db2.gz BXGVCCGIJCESOQ-HIFRSBDPSA-N 2 0 290.411 1.152 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001661426544 1172388943 /nfs/dbraw/zinc/38/89/43/1172388943.db2.gz BXWMBCLPLQYFEF-BZUAXINKSA-N 2 0 291.439 1.531 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCCCCF ZINC001662414538 1172545593 /nfs/dbraw/zinc/54/55/93/1172545593.db2.gz BCXUXRLHINGTKR-QWHCGFSZSA-N 2 0 273.396 1.172 10 0 CDAERP CCOCC[NH+]1CC(CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001665332015 1172980712 /nfs/dbraw/zinc/98/07/12/1172980712.db2.gz BCCDPDYWQVGNIA-UHFFFAOYSA-N 2 0 299.459 1.049 10 0 CDAERP CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001666110778 1173111946 /nfs/dbraw/zinc/11/19/46/1173111946.db2.gz KIFBIDUVGATUAJ-GOEBONIOSA-N 2 0 293.455 1.566 10 0 CDAERP CC[C@H](F)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001668982473 1173487602 /nfs/dbraw/zinc/48/76/02/1173487602.db2.gz GVYOIZVMNCHUDB-LAWSMPECSA-N 2 0 285.407 1.481 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001669577144 1173572457 /nfs/dbraw/zinc/57/24/57/1173572457.db2.gz SCTMQJFVQDLAMT-ZDUSSCGKSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001675792780 1174149701 /nfs/dbraw/zinc/14/97/01/1174149701.db2.gz ROUUXEZDVGBVGN-BZUAXINKSA-N 2 0 295.471 1.859 10 0 CDAERP CC[NH2+]CCC[C@@H](C)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001676010730 1174172846 /nfs/dbraw/zinc/17/28/46/1174172846.db2.gz CURSYBPIOUJUFX-HIFRSBDPSA-N 2 0 267.417 1.367 10 0 CDAERP CC(C)[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001690001433 1175342487 /nfs/dbraw/zinc/34/24/87/1175342487.db2.gz YRHLJYXFKSYBKQ-CQSZACIVSA-N 2 0 267.417 1.460 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCOC2CCC2)C1)[NH+](C)C ZINC001690363634 1175450649 /nfs/dbraw/zinc/45/06/49/1175450649.db2.gz WWCSAAYAHFMBEE-GUTXKFCHSA-N 2 0 297.443 1.133 10 0 CDAERP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001690455144 1175474100 /nfs/dbraw/zinc/47/41/00/1175474100.db2.gz QDUUVBAHEOFAEQ-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]CCC1CC1 ZINC001690650178 1175536994 /nfs/dbraw/zinc/53/69/94/1175536994.db2.gz GMIBCSLIJJQYCD-LBPRGKRZSA-N 2 0 255.406 1.221 10 0 CDAERP CCCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001692197761 1175698601 /nfs/dbraw/zinc/69/86/01/1175698601.db2.gz ZZCOUCPAWHWPKW-KGLIPLIRSA-N 2 0 269.433 1.707 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)C[NH2+]CCF)C1 ZINC001698760540 1175921589 /nfs/dbraw/zinc/92/15/89/1175921589.db2.gz LCMXXFFMTQWLHN-UONOGXRCSA-N 2 0 287.423 1.420 10 0 CDAERP CC[NH2+]C[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001698764026 1175923111 /nfs/dbraw/zinc/92/31/11/1175923111.db2.gz ZVRLSQLMXHEVEC-GFCCVEGCSA-N 2 0 255.406 1.223 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@@H]1CCC[C@@H]1C[NH2+]CCC1CC1 ZINC001699056568 1176061992 /nfs/dbraw/zinc/06/19/92/1176061992.db2.gz CHSGTVYLNQKMOD-HZPDHXFCSA-N 2 0 293.455 1.757 10 0 CDAERP CC[NH2+]CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001699140581 1176109703 /nfs/dbraw/zinc/10/97/03/1176109703.db2.gz LUCGZPHBSPVVDM-KBPBESRZSA-N 2 0 269.433 1.755 10 0 CDAERP CN(CCC[NH2+]CC1CCC1)C(=O)C1CC[NH+](C)CC1 ZINC001699532097 1176464225 /nfs/dbraw/zinc/46/42/25/1176464225.db2.gz ODSXCGRLVAELKV-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N(C)CCC[NH2+]CC2CC2)CC[N@@H+]1C ZINC001699530500 1176464244 /nfs/dbraw/zinc/46/42/44/1176464244.db2.gz VWXHKCNUOOWNSJ-ZFWWWQNUSA-N 2 0 281.444 1.565 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@H](C[NH2+]CCF)C2CCCC2)CC1 ZINC001699796748 1176625029 /nfs/dbraw/zinc/62/50/29/1176625029.db2.gz OVMFJSTXUXCDRI-CQSZACIVSA-N 2 0 299.434 1.562 10 0 CDAERP CC[NH2+]C1(CC)CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001700224739 1176805147 /nfs/dbraw/zinc/80/51/47/1176805147.db2.gz KGOINQWUFANTDO-UHFFFAOYSA-N 2 0 269.433 1.707 10 0 CDAERP CCOCC[NH2+][C@H](C)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001700419693 1176918761 /nfs/dbraw/zinc/91/87/61/1176918761.db2.gz WUZQXFHPWFNNIE-KGLIPLIRSA-N 2 0 299.459 1.238 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CCCF)CN1C(=O)CCC[NH+](C)C ZINC001700843444 1177162084 /nfs/dbraw/zinc/16/20/84/1177162084.db2.gz VQDJBFDHTHMUFG-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CCCF)CN1C(=O)CCC[NH+](C)C ZINC001700843446 1177162323 /nfs/dbraw/zinc/16/23/23/1177162323.db2.gz VQDJBFDHTHMUFG-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001707143067 1177957495 /nfs/dbraw/zinc/95/74/95/1177957495.db2.gz PSIYDPBFRSCMHP-GJZGRUSLSA-N 2 0 295.471 1.955 10 0 CDAERP C[N@H+](CCF)CCCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001707409189 1178024516 /nfs/dbraw/zinc/02/45/16/1178024516.db2.gz VBOZILWXZWQKMK-ZIAGYGMSSA-N 2 0 285.407 1.411 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001707471043 1178064405 /nfs/dbraw/zinc/06/44/05/1178064405.db2.gz AHBJIZAXMXVAGB-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1)C(C)C ZINC001713030015 1178316280 /nfs/dbraw/zinc/31/62/80/1178316280.db2.gz RHKBDPOZLTZHHY-HNNXBMFYSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001713344905 1178512482 /nfs/dbraw/zinc/51/24/82/1178512482.db2.gz ZJEXRANDVJBJIU-UONOGXRCSA-N 2 0 299.434 1.657 10 0 CDAERP CC[C@@H](C(=O)NC[C@H]1CC[N@H+](CC=C(C)C)C1)[NH+](C)C ZINC001713542744 1178635577 /nfs/dbraw/zinc/63/55/77/1178635577.db2.gz XSJDRJVISPKMIL-CABCVRRESA-N 2 0 281.444 1.731 10 0 CDAERP CC[C@@H](F)C[NH2+]CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001713592352 1178673451 /nfs/dbraw/zinc/67/34/51/1178673451.db2.gz SFXQKYDZKZGFMX-ZIAGYGMSSA-N 2 0 285.407 1.124 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CC[NH2+]CCCF)C1 ZINC001713625927 1178685798 /nfs/dbraw/zinc/68/57/98/1178685798.db2.gz ORHDGIMIGRAVON-CQSZACIVSA-N 2 0 287.423 1.516 10 0 CDAERP CCCCC[NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001713634592 1178689897 /nfs/dbraw/zinc/68/98/97/1178689897.db2.gz YJZINERAHWBKMS-AWEZNQCLSA-N 2 0 269.433 1.566 10 0 CDAERP CC/C=C/CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001713777005 1178748250 /nfs/dbraw/zinc/74/82/50/1178748250.db2.gz JDUQUKLZNVJNEZ-SGFLJFKBSA-N 2 0 293.455 1.875 10 0 CDAERP C[C@H](F)CC[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001714152000 1178993486 /nfs/dbraw/zinc/99/34/86/1178993486.db2.gz VIPMAAWZTIUERX-KBPBESRZSA-N 2 0 299.434 1.705 10 0 CDAERP CCCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001714247181 1179044579 /nfs/dbraw/zinc/04/45/79/1179044579.db2.gz RHTXFGXAEOLWTB-OLZOCXBDSA-N 2 0 255.406 1.365 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H](CC[NH2+]CC)C1 ZINC001714263652 1179054289 /nfs/dbraw/zinc/05/42/89/1179054289.db2.gz QYXCDAFWJBFFNY-AWEZNQCLSA-N 2 0 269.433 1.566 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH2+]C/C=C/Cl)CC[N@@H+]1C ZINC001714334774 1179089466 /nfs/dbraw/zinc/08/94/66/1179089466.db2.gz LKSMFPDYHZQQDO-GAHMBREUSA-N 2 0 299.846 1.660 10 0 CDAERP CCC[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001714558221 1179215023 /nfs/dbraw/zinc/21/50/23/1179215023.db2.gz NPHAKLMMZSTXBL-STQMWFEESA-N 2 0 255.406 1.175 10 0 CDAERP C[C@H](C[NH2+]C/C=C/Cl)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001714677754 1179319215 /nfs/dbraw/zinc/31/92/15/1179319215.db2.gz YASHHXJKVXUPGM-OQHXTRMZSA-N 2 0 299.846 1.804 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]CCF ZINC001714726452 1179360805 /nfs/dbraw/zinc/36/08/05/1179360805.db2.gz ACVHNSCKNQIUIY-CYBMUJFWSA-N 2 0 273.396 1.124 10 0 CDAERP CN(CC[NH2+]CCC1CC1)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001714768352 1179386051 /nfs/dbraw/zinc/38/60/51/1179386051.db2.gz SCOJTSAJACBUHD-HZPDHXFCSA-N 2 0 293.455 1.851 10 0 CDAERP CC[C@@H](C)C[NH2+]CCN(C)C(=O)[C@H](C)Cc1c[nH]cn1 ZINC001714767242 1179387244 /nfs/dbraw/zinc/38/72/44/1179387244.db2.gz KPOHVVZEFBUOHB-CHWSQXEVSA-N 2 0 280.416 1.682 10 0 CDAERP CC[C@H](C)C[NH2+]CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001714773112 1179390398 /nfs/dbraw/zinc/39/03/98/1179390398.db2.gz QSXIVCZAUZYGMP-AWEZNQCLSA-N 2 0 283.460 1.812 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]CC[C@H](C)F ZINC001714795874 1179400834 /nfs/dbraw/zinc/40/08/34/1179400834.db2.gz CEWYNMHDEZGRNV-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CC[NH2+]C[C@@H](CC(C)C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001715389477 1179653924 /nfs/dbraw/zinc/65/39/24/1179653924.db2.gz DUEAPTNRWJCEND-ZIAGYGMSSA-N 2 0 269.433 1.469 10 0 CDAERP CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCCF ZINC001715495508 1179683217 /nfs/dbraw/zinc/68/32/17/1179683217.db2.gz OPCUSMLMBSTMKB-MGPQQGTHSA-N 2 0 287.423 1.417 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CC[NH2+]C[C@H]1CCCOC1 ZINC001715714947 1179773214 /nfs/dbraw/zinc/77/32/14/1179773214.db2.gz OOGNPSPSWHCGND-HUUCEWRRSA-N 2 0 299.459 1.238 10 0 CDAERP CC[C@H](F)C[NH2+]CCN(CC)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001715765732 1179796700 /nfs/dbraw/zinc/79/67/00/1179796700.db2.gz AKZAYIOXFPMUQM-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP CC[C@H](F)C[NH2+]CCN(CC)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001715765731 1179796797 /nfs/dbraw/zinc/79/67/97/1179796797.db2.gz AKZAYIOXFPMUQM-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP C[N@H+](CC(=O)NC/C=C\C[NH2+]CC1CCC1)C1CCC1 ZINC001715827677 1179853452 /nfs/dbraw/zinc/85/34/52/1179853452.db2.gz QHKMBNJONWEYEB-IHWYPQMZSA-N 2 0 279.428 1.533 10 0 CDAERP COC[C@H](C)[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001715859053 1179878072 /nfs/dbraw/zinc/87/80/72/1179878072.db2.gz BDLABNYUJMQKMG-YSFHWQLDSA-N 2 0 297.443 1.014 10 0 CDAERP C[C@@H](C[NH2+]CC=C(Cl)Cl)NC(=O)C[NH+]1CCCC1 ZINC001716008996 1179980060 /nfs/dbraw/zinc/98/00/60/1179980060.db2.gz MGIQHAMEKOIMOQ-JTQLQIEISA-N 2 0 294.226 1.496 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC/C=C/C[NH2+]CC1CC1 ZINC001716304204 1180148583 /nfs/dbraw/zinc/14/85/83/1180148583.db2.gz BCDYTLLXYFPJTF-FAAWYNLUSA-N 2 0 279.428 1.533 10 0 CDAERP C[C@@H](C[NH2+]CCCCCF)NC(=O)C12CCC[NH+]1CCC2 ZINC001716443847 1180213081 /nfs/dbraw/zinc/21/30/81/1180213081.db2.gz MVNQMAFLQPGZRO-AWEZNQCLSA-N 2 0 299.434 1.849 10 0 CDAERP CC(C)=CC[NH2+]C1(CNC(=O)C[N@H+]2CC[C@H](C)C2)CCC1 ZINC001717157610 1180553452 /nfs/dbraw/zinc/55/34/52/1180553452.db2.gz RQEYVANMNINXJZ-HNNXBMFYSA-N 2 0 293.455 1.923 10 0 CDAERP CC[NH2+][C@@H](CCN(C)C(=O)CC[NH+](C)C)C(C)C ZINC001717515264 1180719836 /nfs/dbraw/zinc/71/98/36/1180719836.db2.gz JIPJXWFWGXWKRP-ZDUSSCGKSA-N 2 0 257.422 1.421 10 0 CDAERP O=C(N[C@H]1C[C@H](C[NH2+]CCF)C1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001717649624 1180773531 /nfs/dbraw/zinc/77/35/31/1180773531.db2.gz RRLIJFZMDMKJDK-TUVASFSCSA-N 2 0 297.418 1.457 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]CC2CC2)C1 ZINC001717652124 1180775655 /nfs/dbraw/zinc/77/56/55/1180775655.db2.gz FQJQNOIPBYWBHL-HDJSIYSDSA-N 2 0 267.417 1.221 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCOC(C)C)C[C@@H]1C ZINC001717826449 1180881402 /nfs/dbraw/zinc/88/14/02/1180881402.db2.gz OWBORULEVXDPSF-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]CCC2CC2)C(C)(C)C)C1 ZINC001717972144 1180952788 /nfs/dbraw/zinc/95/27/88/1180952788.db2.gz AOWBYEMHQUTPRU-HUUCEWRRSA-N 2 0 295.471 1.859 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH2+]C[C@H](C)OC)CC[N@@H+]1C ZINC001723022311 1181510278 /nfs/dbraw/zinc/51/02/78/1181510278.db2.gz HPPTUIYWAKWSSY-SOUVJXGZSA-N 2 0 299.459 1.190 10 0 CDAERP CCCC[NH2+]C[C@@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001723301033 1181534708 /nfs/dbraw/zinc/53/47/08/1181534708.db2.gz OBUZIZHOMCVENQ-JKSUJKDBSA-N 2 0 293.455 1.613 10 0 CDAERP CCCCCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC)C1 ZINC001724952166 1181807108 /nfs/dbraw/zinc/80/71/08/1181807108.db2.gz YRPORHZWSDQHNZ-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP CCOCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001731347201 1182331448 /nfs/dbraw/zinc/33/14/48/1182331448.db2.gz YMYIDXZMDMVWLY-HNNXBMFYSA-N 2 0 297.443 1.040 10 0 CDAERP CC/C=C\CC[NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001731484720 1182414570 /nfs/dbraw/zinc/41/45/70/1182414570.db2.gz GNRKMYPOUGWZQH-YPDHSMTDSA-N 2 0 293.455 1.921 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]CC[C@H](C)F)CC[N@@H+]1C ZINC001731913050 1182675646 /nfs/dbraw/zinc/67/56/46/1182675646.db2.gz IGXJTMPVSCTZAL-MELADBBJSA-N 2 0 287.423 1.513 10 0 CDAERP CN(CC[NH2+]Cc1ccccc1)C(=O)C1CC[NH+](C)CC1 ZINC001731950230 1182694636 /nfs/dbraw/zinc/69/46/36/1182694636.db2.gz RJZDATSPYWSCHX-UHFFFAOYSA-N 2 0 289.423 1.576 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+](CC=C(C)C)C1 ZINC001732169668 1182827388 /nfs/dbraw/zinc/82/73/88/1182827388.db2.gz HVHBXLOOGAXBGN-OAHLLOKOSA-N 2 0 281.444 1.827 10 0 CDAERP COCCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001732497703 1182989302 /nfs/dbraw/zinc/98/93/02/1182989302.db2.gz DHVFERRCRUQGII-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@@H](C[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)OC ZINC001732774298 1183121137 /nfs/dbraw/zinc/12/11/37/1183121137.db2.gz XQGKZGVYKYBURM-QLFBSQMISA-N 2 0 299.459 1.190 10 0 CDAERP C[C@H](C[NH2+]CCCF)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001732953773 1183202405 /nfs/dbraw/zinc/20/24/05/1183202405.db2.gz IPKVRYYUVZXVLD-CYBMUJFWSA-N 2 0 287.423 1.705 10 0 CDAERP CC(C)OCC[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001733007914 1183235257 /nfs/dbraw/zinc/23/52/57/1183235257.db2.gz QOYGREOZMXMJDF-AWEZNQCLSA-N 2 0 299.459 1.380 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)C[NH2+]CCF)C1 ZINC001733009957 1183236145 /nfs/dbraw/zinc/23/61/45/1183236145.db2.gz OSTAJISJNQIIGN-QWHCGFSZSA-N 2 0 273.396 1.172 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001733763620 1183524247 /nfs/dbraw/zinc/52/42/47/1183524247.db2.gz YBPDMAGKCAUWQZ-CQSZACIVSA-N 2 0 269.433 1.565 10 0 CDAERP CC/C=C/CC[NH2+]CC1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001733957623 1183585056 /nfs/dbraw/zinc/58/50/56/1183585056.db2.gz DDNZNESHDMXZKR-KUEBCKPBSA-N 2 0 293.455 1.779 10 0 CDAERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H](C)[NH2+]CCC1CC1 ZINC001734002560 1183609797 /nfs/dbraw/zinc/60/97/97/1183609797.db2.gz LXNFXYKAYSGXOH-CHWSQXEVSA-N 2 0 267.417 1.365 10 0 CDAERP COCCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001734033350 1183624946 /nfs/dbraw/zinc/62/49/46/1183624946.db2.gz BZNJCYHVDGTUPQ-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP C[C@@H](CCC[NH2+]C/C=C\Cl)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001734247471 1183703849 /nfs/dbraw/zinc/70/38/49/1183703849.db2.gz LJHRKVVYRLZTNL-SDIVBXRLSA-N 2 0 287.835 1.708 10 0 CDAERP C[C@@H]1[C@H]([NH2+]CCCF)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001734399037 1183762972 /nfs/dbraw/zinc/76/29/72/1183762972.db2.gz FTAGHIBSOUANJF-HUUCEWRRSA-N 2 0 299.434 1.657 10 0 CDAERP COCC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@@H]1C ZINC001734406492 1183765465 /nfs/dbraw/zinc/76/54/65/1183765465.db2.gz JIECPOFHHNBXFT-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CC[N@@H+]1CC[C@]2(NC(=O)CCC[NH+](C)C)CCC[C@H]12 ZINC001734438549 1183779004 /nfs/dbraw/zinc/77/90/04/1183779004.db2.gz HBOUVIRHBGCJAN-DZGCQCFKSA-N 2 0 267.417 1.461 10 0 CDAERP CC[N@@H+]1CC[C@@]2(NC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001734438551 1183779361 /nfs/dbraw/zinc/77/93/61/1183779361.db2.gz HBOUVIRHBGCJAN-HIFRSBDPSA-N 2 0 267.417 1.461 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000300406769 1186371429 /nfs/dbraw/zinc/37/14/29/1186371429.db2.gz CGEAMBZCPDRVFH-QWHCGFSZSA-N 2 0 255.406 1.352 10 0 CDAERP CC[C@H](C)C[C@@H]([NH3+])C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000400751011 1186376245 /nfs/dbraw/zinc/37/62/45/1186376245.db2.gz CSMFCNVYLJGKQG-RWMBFGLXSA-N 2 0 255.406 1.303 10 0 CDAERP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)C[C@H]2C1 ZINC000424342177 1186733720 /nfs/dbraw/zinc/73/37/20/1186733720.db2.gz CJHKUDBRPBBOJY-QMIVOQANSA-N 2 0 254.418 1.977 10 0 CDAERP O=C1OCC[C@@H]1CCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000872113024 1165382876 /nfs/dbraw/zinc/38/28/76/1165382876.db2.gz FNVHDOIWVUGIBL-AWEZNQCLSA-N 2 0 280.412 1.794 10 0 CDAERP C[N@@H+]1C[C@]23C[NH+](CC4(O)CCC4)C[C@@]2(C1)CCCC3 ZINC001620684030 1165666216 /nfs/dbraw/zinc/66/62/16/1165666216.db2.gz ZEBQPJDMJCJQPZ-GASCZTMLSA-N 2 0 264.413 1.709 10 0 CDAERP CC(C)[N@@H+]1CC[C@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001323370673 1166670639 /nfs/dbraw/zinc/67/06/39/1166670639.db2.gz HDYRJHKNNLMJLV-HNNXBMFYSA-N 2 0 281.444 1.851 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N(C)CCC[NH+](C)C)C1 ZINC001637243555 1166739683 /nfs/dbraw/zinc/73/96/83/1166739683.db2.gz BBCDVJCSPAXDKW-AWEZNQCLSA-N 2 0 269.433 1.517 10 0 CDAERP CCN(CC[NH2+]C[C@@H]1CCO[C@H](C)C1)C(=O)CC[NH+](C)C ZINC001568772252 1167543399 /nfs/dbraw/zinc/54/33/99/1167543399.db2.gz NPKAHCOVIYMIDW-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@H](C)C[NH2+]CCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001569257563 1167556820 /nfs/dbraw/zinc/55/68/20/1167556820.db2.gz HWYJDZSPQGQOJD-LSDHHAIUSA-N 2 0 283.460 1.812 10 0 CDAERP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC([NH2+]CCCCCF)C1 ZINC001571654602 1167602764 /nfs/dbraw/zinc/60/27/64/1167602764.db2.gz HFPLRCUDKYIPEF-NRXISQOPSA-N 2 0 299.434 1.799 10 0 CDAERP COCCC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001571630219 1167603054 /nfs/dbraw/zinc/60/30/54/1167603054.db2.gz CFVHTTDUDAQAAO-KGLIPLIRSA-N 2 0 299.459 1.238 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)C(C)C ZINC001565835491 1168177700 /nfs/dbraw/zinc/17/77/00/1168177700.db2.gz NXVZNMFWWDNSCM-AWEZNQCLSA-N 2 0 269.433 1.515 10 0 CDAERP CCC[N@H+](C)CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001566518548 1168318828 /nfs/dbraw/zinc/31/88/28/1168318828.db2.gz HFRBFPFGXLKGNQ-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC001587298207 1168455177 /nfs/dbraw/zinc/45/51/77/1168455177.db2.gz JHSZPKZTUJJLFT-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001483675766 912586788 /nfs/dbraw/zinc/58/67/88/912586788.db2.gz HAKIFMDIHSIISQ-UONOGXRCSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)OCC[NH2+][C@@H]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001567173513 1168605391 /nfs/dbraw/zinc/60/53/91/1168605391.db2.gz MTOCWLAQSPDQAT-HUUCEWRRSA-N 2 0 299.459 1.380 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC[C@@H](C)F ZINC001480870917 894576394 /nfs/dbraw/zinc/57/63/94/894576394.db2.gz DMLTYBNOAAWKNA-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP CC/C=C/CC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001266547214 895306175 /nfs/dbraw/zinc/30/61/75/895306175.db2.gz LNXQBECYNYPISC-GJBLVYBDSA-N 2 0 267.417 1.485 10 0 CDAERP CCCCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001266565678 895382067 /nfs/dbraw/zinc/38/20/67/895382067.db2.gz JKFONLUQGLIHOR-AWEZNQCLSA-N 2 0 267.417 1.463 10 0 CDAERP C[C@H](O)C[NH2+]C1CCC(NC(=O)CCCC[NH+](C)C)CC1 ZINC001266916012 896334980 /nfs/dbraw/zinc/33/49/80/896334980.db2.gz JMKXWSSMBRMIQB-NFOMZHRRSA-N 2 0 299.459 1.116 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CC[C@H](C[NH2+]CC2CC2)C1 ZINC001267066747 896675379 /nfs/dbraw/zinc/67/53/79/896675379.db2.gz KDTMVGYMPGUCPR-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP C[C@@H](CCNC(=O)C1([NH+](C)C)CCC1)[NH2+]CCCF ZINC001267131062 896885900 /nfs/dbraw/zinc/88/59/00/896885900.db2.gz BUZLBWXZFGWBOW-LBPRGKRZSA-N 2 0 273.396 1.315 10 0 CDAERP CC(C)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001267139155 896904202 /nfs/dbraw/zinc/90/42/02/896904202.db2.gz FTXWXFBZWHVZQQ-KGLIPLIRSA-N 2 0 269.433 1.611 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)NCC[C@H](C)[NH2+]CC)C1 ZINC001267142451 896908425 /nfs/dbraw/zinc/90/84/25/896908425.db2.gz TVJNVAYZVGFNBT-KBPBESRZSA-N 2 0 269.433 1.613 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001480920911 896972535 /nfs/dbraw/zinc/97/25/35/896972535.db2.gz CXBKOSUOWIRNOG-CQSZACIVSA-N 2 0 283.460 1.812 10 0 CDAERP CC(C)(C)NC(=O)CC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693742975 897249444 /nfs/dbraw/zinc/24/94/44/897249444.db2.gz VECIPYWRFVQVFA-KWCYVHTRSA-N 2 0 281.444 1.657 10 0 CDAERP CCCCC[N@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001267238781 897275708 /nfs/dbraw/zinc/27/57/08/897275708.db2.gz SJJHHOMNSBBNBU-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP O[C@@H](C[NH2+]CCC1SCCS1)C[NH+]1CCCC1 ZINC000693780987 897306139 /nfs/dbraw/zinc/30/61/39/897306139.db2.gz DGIHJIAVLMHGKG-NSHDSACASA-N 2 0 276.471 1.229 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCNC(=O)C[NH+](C)C(C)C ZINC001480951644 898116196 /nfs/dbraw/zinc/11/61/96/898116196.db2.gz ILJMLJQVGCTLRW-CYBMUJFWSA-N 2 0 257.422 1.421 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1Cc1cccnc1 ZINC001481057778 898706107 /nfs/dbraw/zinc/70/61/07/898706107.db2.gz YCERHTMQTOSJCP-OAHLLOKOSA-N 2 0 290.411 1.114 10 0 CDAERP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CCCOC)C1 ZINC001267781103 899713762 /nfs/dbraw/zinc/71/37/62/899713762.db2.gz BTHMFZFGJOGVOT-LSDHHAIUSA-N 2 0 297.443 1.040 10 0 CDAERP CC[NH2+]CCC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001267914225 899962998 /nfs/dbraw/zinc/96/29/98/899962998.db2.gz BTBFQKXVJUMCCF-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001483758719 914568571 /nfs/dbraw/zinc/56/85/71/914568571.db2.gz ZOTQLVFYAOVTBC-CYBMUJFWSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001268712141 903000058 /nfs/dbraw/zinc/00/00/58/903000058.db2.gz JDCGNOLQUBKZAK-KBPBESRZSA-N 2 0 269.433 1.633 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@H](C[NH2+]CCC2CC2)C2CC2)CCC1 ZINC001269079598 903406191 /nfs/dbraw/zinc/40/61/91/903406191.db2.gz OQCOOHXYZRTHHT-OAHLLOKOSA-N 2 0 293.455 1.755 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@H](C[NH+](C)C)C2)C1 ZINC001362639795 903919417 /nfs/dbraw/zinc/91/94/17/903919417.db2.gz WCISCTZCBKJATN-LSDHHAIUSA-N 2 0 281.444 1.517 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CC[NH2+]CCF)C1 ZINC001269712267 904057802 /nfs/dbraw/zinc/05/78/02/904057802.db2.gz OAGQRNOFOFEOSC-KGLIPLIRSA-N 2 0 285.407 1.268 10 0 CDAERP CC[NH2+]CCC1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001269871406 904171199 /nfs/dbraw/zinc/17/11/99/904171199.db2.gz ZJDQLQCWNCASGH-HNNXBMFYSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]CC[C@H]1CCOC1 ZINC001482369210 905217593 /nfs/dbraw/zinc/21/75/93/905217593.db2.gz LZZXQGILAJSQIU-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1nccs1 ZINC001482369564 905218084 /nfs/dbraw/zinc/21/80/84/905218084.db2.gz NLIAOSFLEDRDMC-GFCCVEGCSA-N 2 0 298.456 1.420 10 0 CDAERP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](C)CN2CCOCC2)C1 ZINC001364363075 905586832 /nfs/dbraw/zinc/58/68/32/905586832.db2.gz PVZGGICGHSKGLM-SJORKVTESA-N 2 0 297.487 1.618 10 0 CDAERP CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001482457292 905660487 /nfs/dbraw/zinc/66/04/87/905660487.db2.gz RYGPJDISLYBWNE-GJZGRUSLSA-N 2 0 281.444 1.851 10 0 CDAERP C[C@H](C[NH2+]CCOC1CCC1)N(C)C(=O)C[NH+]1CCCC1 ZINC001271209181 906179917 /nfs/dbraw/zinc/17/99/17/906179917.db2.gz TXDDYRUNDVTQOO-CQSZACIVSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCC1CC1 ZINC001482531894 906868004 /nfs/dbraw/zinc/86/80/04/906868004.db2.gz OXWKYFGUKSTNPX-BMFZPTHFSA-N 2 0 295.471 1.857 10 0 CDAERP CN(CC[N@H+](C)CC1CCCC1)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001482642241 908108182 /nfs/dbraw/zinc/10/81/82/908108182.db2.gz ANQRXZOVOUSCCE-INIZCTEOSA-N 2 0 295.471 1.909 10 0 CDAERP CC[C@@H](F)C[NH2+]C/C=C\CNC(=O)C1([NH+](C)C)CCC1 ZINC001483017773 908694128 /nfs/dbraw/zinc/69/41/28/908694128.db2.gz MKJVSAGEQUEKOZ-CFHLNLSMSA-N 2 0 285.407 1.481 10 0 CDAERP C([C@@H]1CC2CCC1CC2)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000691680509 921434768 /nfs/dbraw/zinc/43/47/68/921434768.db2.gz WLLXMPSGBBSZKH-GQGLESIBSA-N 2 0 277.456 1.792 10 0 CDAERP CC[C@@H](C(=O)NC/C=C/C[NH2+]Cc1ccsc1)[NH+](C)C ZINC001483060189 909197773 /nfs/dbraw/zinc/19/77/73/909197773.db2.gz FRPJVCARJNYSTN-GJBLVYBDSA-N 2 0 295.452 1.850 10 0 CDAERP CC[NH2+][C@@H](C)[C@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001409416372 910382015 /nfs/dbraw/zinc/38/20/15/910382015.db2.gz ZIMMPBKAOVDGSL-RYUDHWBXSA-N 2 0 287.367 1.384 10 0 CDAERP C[C@H](NC(=O)CCC[NH+]1CCCCC1)[C@H](C)[NH2+]CCF ZINC001409440369 910403473 /nfs/dbraw/zinc/40/34/73/910403473.db2.gz BJORCUIEVWDTLE-KBPBESRZSA-N 2 0 287.423 1.705 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001483254882 910744725 /nfs/dbraw/zinc/74/47/25/910744725.db2.gz AYNGVTCRWCRGIB-RWMBFGLXSA-N 2 0 255.406 1.221 10 0 CDAERP CCC[NH2+]C[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001483275009 910769370 /nfs/dbraw/zinc/76/93/70/910769370.db2.gz SLYJAMIKALZKSN-ZDUSSCGKSA-N 2 0 277.412 1.866 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]C/C=C\Cl)C1CC1 ZINC001483569620 911274908 /nfs/dbraw/zinc/27/49/08/911274908.db2.gz BYDDTLDKMIIJKH-CWIKABRRSA-N 2 0 299.846 1.708 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC1CC1 ZINC001484461988 915789791 /nfs/dbraw/zinc/78/97/91/915789791.db2.gz AGHYNNOBWWRLFB-CVEARBPZSA-N 2 0 293.455 1.804 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CCCF)CC1 ZINC001484564883 915886710 /nfs/dbraw/zinc/88/67/10/915886710.db2.gz DYQSQSXSMIVNBM-KKUMJFAQSA-N 2 0 299.434 1.705 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)C[N@H+](C)C2CCC2)CCC1 ZINC001484637722 915989934 /nfs/dbraw/zinc/98/99/34/915989934.db2.gz ONBNHTOCROOZDZ-CYBMUJFWSA-N 2 0 299.434 1.847 10 0 CDAERP CCC1([NH2+]CC2CC2)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001484819696 916191701 /nfs/dbraw/zinc/19/17/01/916191701.db2.gz UHETUUHOVUMZTM-OAHLLOKOSA-N 2 0 293.455 1.709 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NC2CC(C[NH2+]CCC3CC3)C2)C1 ZINC001485109819 916535266 /nfs/dbraw/zinc/53/52/66/916535266.db2.gz JQOMMZIXFSOYCA-SHARSMKWSA-N 2 0 279.428 1.223 10 0 CDAERP Cc1ncoc1C[NH2+][C@H](C)[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001485230402 916686140 /nfs/dbraw/zinc/68/61/40/916686140.db2.gz TWGFCJMFWGOJDY-NEPJUHHUSA-N 2 0 296.415 1.306 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[N@H+](C)CCC1CC1 ZINC001485304634 916818210 /nfs/dbraw/zinc/81/82/10/916818210.db2.gz YUWLEIWVSVJBMX-BBRMVZONSA-N 2 0 293.455 1.565 10 0 CDAERP CCCC[C@H](C[NH2+]CC)NC(=O)[C@@H]1CCc2nccn2C1 ZINC001485465395 916987015 /nfs/dbraw/zinc/98/70/15/916987015.db2.gz JNTMFIYZBJRAEG-ZIAGYGMSSA-N 2 0 292.427 1.730 10 0 CDAERP C[C@H](C[NH2+]CC1CCC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001568262410 1169204898 /nfs/dbraw/zinc/20/48/98/1169204898.db2.gz JDDFBLQJKUYRLD-OCCSQVGLSA-N 2 0 267.417 1.317 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCF)C(C)(C)C1 ZINC001486247764 920837936 /nfs/dbraw/zinc/83/79/36/920837936.db2.gz LGTDZGYTZADGEO-GFCCVEGCSA-N 2 0 273.396 1.124 10 0 CDAERP CCN(CC[NH2+]CCC[C@H](C)O)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001273554906 920893056 /nfs/dbraw/zinc/89/30/56/920893056.db2.gz SJPDQQIZPITHTD-GJZGRUSLSA-N 2 0 299.459 1.070 10 0 CDAERP CC(C)N(CC[N@H+](C)CC1CC1)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001486375797 920957638 /nfs/dbraw/zinc/95/76/38/920957638.db2.gz PNBAUWFVVKQFOF-HNNXBMFYSA-N 2 0 295.471 1.907 10 0 CDAERP CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001490982152 936837604 /nfs/dbraw/zinc/83/76/04/936837604.db2.gz KWMJPVRYSGQIQE-HUUCEWRRSA-N 2 0 281.444 1.661 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001491055439 936848166 /nfs/dbraw/zinc/84/81/66/936848166.db2.gz NUJQUJGFEZFSOC-XDQVBPFNSA-N 2 0 285.407 1.313 10 0 CDAERP CCOCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001491080634 936852146 /nfs/dbraw/zinc/85/21/46/936852146.db2.gz REWVWSLVBJYMCR-NMWPEEMBSA-N 2 0 297.443 1.133 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NCCCCC[NH+]1CCCC1 ZINC001141375542 936859430 /nfs/dbraw/zinc/85/94/30/936859430.db2.gz FQIAWYIIPIMPKP-OAHLLOKOSA-N 2 0 283.460 1.957 10 0 CDAERP C[C@@H](CC[NH2+]CCF)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001273201771 924571182 /nfs/dbraw/zinc/57/11/82/924571182.db2.gz CRPXXEWHTLETMK-ZDUSSCGKSA-N 2 0 295.402 1.816 10 0 CDAERP Cc1oncc1C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001410348084 925550571 /nfs/dbraw/zinc/55/05/71/925550571.db2.gz OTWJBSCDSSGVQU-RISCZKNCSA-N 2 0 294.399 1.014 10 0 CDAERP CC(C)[N@@H+]1CC[C@]2(NC(=O)CCc3c[nH]cn3)CCC[C@H]12 ZINC001410920741 926763769 /nfs/dbraw/zinc/76/37/69/926763769.db2.gz YTHYZRCFABQEGX-GOEBONIOSA-N 2 0 290.411 1.864 10 0 CDAERP CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001489071187 926784055 /nfs/dbraw/zinc/78/40/55/926784055.db2.gz FWOHPRIQNXHNOL-BZUAXINKSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)[C@H](C)Cc2c[nH]cn2)CC[N@@H+]1CC ZINC001489135267 926808477 /nfs/dbraw/zinc/80/84/77/926808477.db2.gz SFDSXCCSADNQNU-KWCYVHTRSA-N 2 0 278.400 1.577 10 0 CDAERP CCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)CC(C)(C)C1 ZINC001489347431 926880045 /nfs/dbraw/zinc/88/00/45/926880045.db2.gz MNESMXZIXFKWFG-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC1CCC1)C1CC1 ZINC001490368136 927133749 /nfs/dbraw/zinc/13/37/49/927133749.db2.gz VPSPIPPXVPDYCK-INIZCTEOSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@@H](F)CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001490381180 927141767 /nfs/dbraw/zinc/14/17/67/927141767.db2.gz NEHHDSIZFNMOEE-UKRRQHHQSA-N 2 0 299.434 1.799 10 0 CDAERP CC(C)C[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)C(C)C ZINC001568470102 1169300182 /nfs/dbraw/zinc/30/01/82/1169300182.db2.gz HLMWZDCSBIQRRE-CQSZACIVSA-N 2 0 269.433 1.469 10 0 CDAERP Cc1c(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)ccnc1F ZINC000862354502 929401546 /nfs/dbraw/zinc/40/15/46/929401546.db2.gz WJDYCCNRYMSRTB-UHFFFAOYSA-N 2 0 294.418 1.645 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]CCF ZINC001319865222 931489368 /nfs/dbraw/zinc/48/93/68/931489368.db2.gz RQOHLJAZIACGON-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP C[NH+]1CCC(C(=O)NC/C=C/C[NH2+]C/C=C\Cl)CC1 ZINC001274330719 931491098 /nfs/dbraw/zinc/49/10/98/931491098.db2.gz GBESVYARADYESO-SWBALALESA-N 2 0 285.819 1.343 10 0 CDAERP CC[C@@H](C)C[NH2+]CCN(CC)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001320892070 931559321 /nfs/dbraw/zinc/55/93/21/931559321.db2.gz YKVPSIJZYNHMHU-HUUCEWRRSA-N 2 0 283.460 1.812 10 0 CDAERP C[C@H](C(=O)N(C)CCC[NH2+]CCCO)[NH+]1CCCCCC1 ZINC001322725140 931717628 /nfs/dbraw/zinc/71/76/28/931717628.db2.gz VUIVNYAWGQNJGH-OAHLLOKOSA-N 2 0 299.459 1.071 10 0 CDAERP COCCC[NH2+]C1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001275624693 931912614 /nfs/dbraw/zinc/91/26/14/931912614.db2.gz USVJGDPIIMCIGN-UHFFFAOYSA-N 2 0 299.459 1.334 10 0 CDAERP CCCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001275792399 932039711 /nfs/dbraw/zinc/03/97/11/932039711.db2.gz POIRQVPPQDRERC-STQMWFEESA-N 2 0 255.406 1.317 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001449013048 932253581 /nfs/dbraw/zinc/25/35/81/932253581.db2.gz GEUCGLKJNDPHQW-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP O=C(Nc1ccc2c[nH+]cn2c1)C12CCC[NH+]1CCC2 ZINC001412717227 932665117 /nfs/dbraw/zinc/66/51/17/932665117.db2.gz DSOXPWOCUAUCAU-UHFFFAOYSA-N 2 0 270.336 1.901 10 0 CDAERP CC(C)=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001490837421 934055115 /nfs/dbraw/zinc/05/51/15/934055115.db2.gz ALEAYUFAXBCZCJ-JYJNAYRXSA-N 2 0 293.455 1.873 10 0 CDAERP CO[C@@H]1CCC[C@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000687372771 934285077 /nfs/dbraw/zinc/28/50/77/934285077.db2.gz UQOUMTIUUYQAQF-ZIAGYGMSSA-N 2 0 269.433 1.170 10 0 CDAERP CC[C@](C)(O)C[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001413093985 935899719 /nfs/dbraw/zinc/89/97/19/935899719.db2.gz XERODLPDFDBRCU-HNNXBMFYSA-N 2 0 284.444 1.460 10 0 CDAERP C[NH+](C)C1(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)CCCC1 ZINC001413418066 936024318 /nfs/dbraw/zinc/02/43/18/936024318.db2.gz ZMNZJMDGYXJBIN-ZIAGYGMSSA-N 2 0 279.428 1.413 10 0 CDAERP CCO[C@H](CNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C[NH+](C)C ZINC001413526010 936128430 /nfs/dbraw/zinc/12/84/30/936128430.db2.gz SELRYXQGYKLEDV-SOUVJXGZSA-N 2 0 299.459 1.190 10 0 CDAERP Nc1nccc(N[C@H]2CCC[N@@H+]3CCSC[C@H]23)n1 ZINC000720443812 940365404 /nfs/dbraw/zinc/36/54/04/940365404.db2.gz OKJNJDUAWRQHDQ-VHSXEESVSA-N 2 0 265.386 1.051 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)CC[NH+](C)C ZINC001568722736 1169448039 /nfs/dbraw/zinc/44/80/39/1169448039.db2.gz QRHDSXKVBOFLJN-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)C1CC[NH+](C)CC1 ZINC000400639282 940853497 /nfs/dbraw/zinc/85/34/97/940853497.db2.gz NQMVADJENDDFFW-QWHCGFSZSA-N 3 0 253.434 1.694 10 0 CDAERP CCOC(=O)N1CCC([NH2+][C@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000405344329 940983698 /nfs/dbraw/zinc/98/36/98/940983698.db2.gz KCHNHHNFDXWOFA-STQMWFEESA-N 2 0 281.400 1.467 10 0 CDAERP CCC(C)(C)[NH+]1CCN(C(=O)[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC001649872602 1169454889 /nfs/dbraw/zinc/45/48/89/1169454889.db2.gz PQUVFOYJPCZPRP-ZIAGYGMSSA-N 2 0 281.444 1.837 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC001362098317 970883333 /nfs/dbraw/zinc/88/33/33/970883333.db2.gz VHPCIBOWYXYTSP-ZBFHGGJFSA-N 2 0 293.455 1.804 10 0 CDAERP CC(C)C[NH2+]CCC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001277335067 942382976 /nfs/dbraw/zinc/38/29/76/942382976.db2.gz HBEUBBAUFFGLKT-AWEZNQCLSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)CC[N@H+]1CC=C(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001279687435 942400095 /nfs/dbraw/zinc/40/00/95/942400095.db2.gz LBONBAOMYRNHCE-UHFFFAOYSA-N 2 0 293.455 1.877 10 0 CDAERP CCOCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001281868054 942627712 /nfs/dbraw/zinc/62/77/12/942627712.db2.gz CUGVSPDWRVLLGZ-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001282960144 942790650 /nfs/dbraw/zinc/79/06/50/942790650.db2.gz YNZHOTZWVBNXDM-IHRRRGAJSA-N 2 0 267.417 1.175 10 0 CDAERP CCCC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001284784870 943259011 /nfs/dbraw/zinc/25/90/11/943259011.db2.gz XROUSRXLFNSIGK-JXQTWKCFSA-N 2 0 267.417 1.460 10 0 CDAERP CC[C@@H](C(=O)NCC1=CC[N@H+](CCC2CC2)CC1)[NH+](C)C ZINC001284957289 943300684 /nfs/dbraw/zinc/30/06/84/943300684.db2.gz OIFVUNOOORKSNX-INIZCTEOSA-N 2 0 293.455 1.875 10 0 CDAERP CCCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001277826186 943719586 /nfs/dbraw/zinc/71/95/86/943719586.db2.gz KZZDYCDKQKOXDN-BFHYXJOUSA-N 2 0 269.433 1.563 10 0 CDAERP CC/C=C\CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001263879106 944018446 /nfs/dbraw/zinc/01/84/46/944018446.db2.gz MUFARGOSKROUNL-LDUWWUQZSA-N 2 0 293.455 1.779 10 0 CDAERP CO[C@@H](C)C[N@H+](C)CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001265007102 944200799 /nfs/dbraw/zinc/20/07/99/944200799.db2.gz DCZVQGZUMUNCAB-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001265629867 944451819 /nfs/dbraw/zinc/45/18/19/944451819.db2.gz GRBMLUOACAWLBP-CQSZACIVSA-N 2 0 269.433 1.566 10 0 CDAERP CC(C)CCC[NH2+][C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001265865033 944548611 /nfs/dbraw/zinc/54/86/11/944548611.db2.gz XSPWASLTCXXJMY-CQSZACIVSA-N 2 0 269.433 1.613 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@@H]([NH2+]CCCF)C1 ZINC001266067456 944661382 /nfs/dbraw/zinc/66/13/82/944661382.db2.gz LFSHOCQWTWMUER-OLZOCXBDSA-N 2 0 273.396 1.315 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCCF)C1 ZINC001266076418 944666352 /nfs/dbraw/zinc/66/63/52/944666352.db2.gz ZHQOPKJXSAARQM-ZIAGYGMSSA-N 2 0 287.423 1.705 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)CCCOC)C1 ZINC001266116893 944691158 /nfs/dbraw/zinc/69/11/58/944691158.db2.gz OAPKDGQETJQCOH-HNNXBMFYSA-N 2 0 299.459 1.288 10 0 CDAERP C[NH+]1CCC2(CCCN2C(=O)CC[N@@H+]2CC[C@@H](F)C2)CC1 ZINC001362316191 971149255 /nfs/dbraw/zinc/14/92/55/971149255.db2.gz XTYQJFSKCRUVCA-CQSZACIVSA-N 2 0 297.418 1.507 10 0 CDAERP Cc1nc(C2C[C@H]3CC[C@@H](C2)N3C[C@H](C)[NH3+])no1 ZINC001261853271 946305657 /nfs/dbraw/zinc/30/56/57/946305657.db2.gz CIRUQZUONBVHRX-OTQBISOXSA-N 2 0 250.346 1.436 10 0 CDAERP CC[N@@H+]1C[C@@H](C)N(Cc2[nH]c(C)nc2C)C[C@H]1C ZINC001262236487 946541370 /nfs/dbraw/zinc/54/13/70/946541370.db2.gz GJTUFLSFYRHJHW-GHMZBOCLSA-N 2 0 250.390 1.941 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001479369584 971313955 /nfs/dbraw/zinc/31/39/55/971313955.db2.gz YRFQITHZECFJCT-BPUTZDHNSA-N 2 0 293.455 1.613 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001479409695 971320762 /nfs/dbraw/zinc/32/07/62/971320762.db2.gz VVDDEKFVUHGEPA-HDJSIYSDSA-N 2 0 279.428 1.367 10 0 CDAERP CC[N@H+](C)[C@@H]1CCN(C(=O)N[C@@H]2CC[C@H]3C[NH+](C)C[C@@H]32)C1 ZINC001479591721 971342249 /nfs/dbraw/zinc/34/22/49/971342249.db2.gz YMHVFOFGPOYBNW-LJISPDSOSA-N 2 0 294.443 1.062 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H]1C ZINC001479727963 971383821 /nfs/dbraw/zinc/38/38/21/971383821.db2.gz VGABHGWYILURBJ-PMPSAXMXSA-N 2 0 295.471 1.953 10 0 CDAERP CC[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001479776597 971413788 /nfs/dbraw/zinc/41/37/88/971413788.db2.gz ZCAPRIKOHMEVSH-HNNXBMFYSA-N 2 0 281.444 1.851 10 0 CDAERP CC[N@@H+](CC=C(C)C)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001479851464 971454245 /nfs/dbraw/zinc/45/42/45/971454245.db2.gz YNLAOWGEIKGFIF-OAHLLOKOSA-N 2 0 281.444 1.875 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C[NH2+]C[C@@H](F)CC)[NH+](C)C ZINC001568999146 1169585890 /nfs/dbraw/zinc/58/58/90/1169585890.db2.gz KXTWUDYSZHPVFO-GRYCIOLGSA-N 2 0 261.385 1.169 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1C[C@@H]([NH2+]C(C)C)C1 ZINC001480207085 971628595 /nfs/dbraw/zinc/62/85/95/971628595.db2.gz SNORNQDWDLPQBU-FRRDWIJNSA-N 2 0 273.396 1.312 10 0 CDAERP Cc1ncsc1C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001480436611 971726934 /nfs/dbraw/zinc/72/69/34/971726934.db2.gz UGUIRINKBYFKSV-PWSUYJOCSA-N 2 0 296.440 1.140 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CCC1CC1 ZINC001480462851 971741282 /nfs/dbraw/zinc/74/12/82/971741282.db2.gz NZQWUHPGYRSVBV-SWLSCSKDSA-N 2 0 279.428 1.223 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccns1 ZINC001480463298 971741341 /nfs/dbraw/zinc/74/13/41/971741341.db2.gz TXBBAVNKSXFIMT-DMDPSCGWSA-N 2 0 296.440 1.078 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001363135303 971917324 /nfs/dbraw/zinc/91/73/24/971917324.db2.gz AJZPOKNZOLNNTL-ILXRZTDVSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H](CN(C)CC[NH+]1CCCCC1)C[NH+]1CCOCC1 ZINC001363804280 953827652 /nfs/dbraw/zinc/82/76/52/953827652.db2.gz CHZBIGZIRWMPCG-INIZCTEOSA-N 2 0 283.460 1.372 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC[C@H]2CCCC[N@H+](C)C2)C1 ZINC001363996249 954111568 /nfs/dbraw/zinc/11/15/68/954111568.db2.gz YTMOAZNYCYFBAR-BZUAXINKSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001493231081 971990680 /nfs/dbraw/zinc/99/06/80/971990680.db2.gz UDQYHKFQBKKIKY-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CC[NH2+]CCF)C2)CC[N@@H+]1C ZINC001326273989 954296249 /nfs/dbraw/zinc/29/62/49/954296249.db2.gz YKOGNCNHHXRNAZ-QLFBSQMISA-N 2 0 299.434 1.514 10 0 CDAERP [NH3+][C@H](CNC(=O)[C@H]1CCCC[C@@H]1[NH3+])c1ccccc1 ZINC001326281488 954297863 /nfs/dbraw/zinc/29/78/63/954297863.db2.gz BYGKMCNOSWSLLR-MELADBBJSA-N 2 0 261.369 1.320 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CC)C1 ZINC001326288232 954300683 /nfs/dbraw/zinc/30/06/83/954300683.db2.gz NMHJTCSRQWXUMM-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP CN(CCCC[NH+](C)C)C(=O)C(C)(C)c1cnc[nH]1 ZINC001293843389 954419572 /nfs/dbraw/zinc/41/95/72/954419572.db2.gz VHLBQLUZYAZJEV-UHFFFAOYSA-N 2 0 266.389 1.488 10 0 CDAERP CN(C[C@@H](O)C[N@@H+]1CCCC[C@]12CCCOC2)C1CC1 ZINC001364556771 954799111 /nfs/dbraw/zinc/79/91/11/954799111.db2.gz HIIVWMIOQANDBQ-HZPDHXFCSA-N 2 0 282.428 1.477 10 0 CDAERP C[C@@H](NC(=O)C1([NH+](C)C)CCCC1)C1=CC[N@H+](C)CC1 ZINC001296259270 954836521 /nfs/dbraw/zinc/83/65/21/954836521.db2.gz XCTPNYRKYJNFIR-CYBMUJFWSA-N 2 0 279.428 1.627 10 0 CDAERP CC[C@H](C)C[NH2+]CCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001569203054 1169720003 /nfs/dbraw/zinc/72/00/03/1169720003.db2.gz NYSIHDMCYMJHHQ-GOEBONIOSA-N 2 0 295.471 1.812 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccsc1 ZINC001421765184 955532560 /nfs/dbraw/zinc/53/25/60/955532560.db2.gz FABSVNQZENUFID-TZMCWYRMSA-N 2 0 295.452 1.542 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)CC1 ZINC001421834296 955576650 /nfs/dbraw/zinc/57/66/50/955576650.db2.gz MRXPYUFNBSGJRC-HNNXBMFYSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+]Cc1ccsc1 ZINC001492077550 955614333 /nfs/dbraw/zinc/61/43/33/955614333.db2.gz FXKAIZQOHXUVGM-GFCCVEGCSA-N 2 0 283.441 1.684 10 0 CDAERP C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]C/C=C/Cl ZINC001422169820 955806702 /nfs/dbraw/zinc/80/67/02/955806702.db2.gz ORISZMSSFRZPRK-NDYVEPOPSA-N 2 0 273.808 1.175 10 0 CDAERP CN(CC(C)(C)C[NH2+]C/C=C/Cl)C(=O)CC[NH+](C)C ZINC001329327698 955826293 /nfs/dbraw/zinc/82/62/93/955826293.db2.gz FYXOVYALEUARFB-SOFGYWHQSA-N 2 0 289.851 1.765 10 0 CDAERP Cc1nc(C2CC[NH+](C[C@@H](O)C(C)(C)O)CC2)[nH]c1C ZINC001365337841 955920863 /nfs/dbraw/zinc/92/08/63/955920863.db2.gz PFZSHXCNBRHTQO-CYBMUJFWSA-N 2 0 281.400 1.338 10 0 CDAERP CC(C)=CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001329523047 955967971 /nfs/dbraw/zinc/96/79/71/955967971.db2.gz JBOPTLLSACLSLE-GJZGRUSLSA-N 2 0 281.444 1.873 10 0 CDAERP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCC1CC1 ZINC001317413986 956269974 /nfs/dbraw/zinc/26/99/74/956269974.db2.gz JJUOCSPSUDRVAF-TZMCWYRMSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)[NH2+]C[C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001422891156 956430299 /nfs/dbraw/zinc/43/02/99/956430299.db2.gz ARERQIWBJWGIMK-RBSFLKMASA-N 2 0 281.444 1.754 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H]2C[N@H+](CC3CC3)CC[C@H]21 ZINC001366141688 956598543 /nfs/dbraw/zinc/59/85/43/956598543.db2.gz FBTGEWCBXXSTLW-HZPDHXFCSA-N 2 0 293.455 1.661 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cc(F)ccc1F ZINC001366322418 956741954 /nfs/dbraw/zinc/74/19/54/956741954.db2.gz KMEJRPJYHZXRDE-LLVKDONJSA-N 2 0 299.365 1.511 10 0 CDAERP CO[C@H](C)C[N@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001366438201 956826038 /nfs/dbraw/zinc/82/60/38/956826038.db2.gz XLNMRHQMOGSUTQ-CABCVRRESA-N 2 0 297.443 1.040 10 0 CDAERP C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CC1CC1 ZINC001366480877 956863718 /nfs/dbraw/zinc/86/37/18/956863718.db2.gz XIEBVQHQJXEIRC-IPYPFGDCSA-N 2 0 281.444 1.611 10 0 CDAERP CC1CC(C[N@H+](C)CCCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001316815642 957039988 /nfs/dbraw/zinc/03/99/88/957039988.db2.gz RMDGIRQXWKAIFU-NRXISQOPSA-N 2 0 281.444 1.565 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001317084834 957257798 /nfs/dbraw/zinc/25/77/98/957257798.db2.gz ZBRDLCBLRMELNA-JOCQHMNTSA-N 2 0 255.406 1.365 10 0 CDAERP CC(C)OCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001317105888 957274160 /nfs/dbraw/zinc/27/41/60/957274160.db2.gz YCYHGYRJHIXTSK-ZNMIVQPWSA-N 2 0 297.443 1.133 10 0 CDAERP O=C(CCc1c[nH]cn1)N1CCC[C@H](C[NH2+]CCCF)C1 ZINC001317149557 957306676 /nfs/dbraw/zinc/30/66/76/957306676.db2.gz JNPWIIMNZWMXKY-CYBMUJFWSA-N 2 0 296.390 1.530 10 0 CDAERP CCCC[NH2+]C[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001317158983 957311266 /nfs/dbraw/zinc/31/12/66/957311266.db2.gz WEOPFMKJEHEWTL-OAHLLOKOSA-N 2 0 283.460 1.957 10 0 CDAERP CCCCCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001317228204 957357088 /nfs/dbraw/zinc/35/70/88/957357088.db2.gz GRMJARAPPBMAEC-KBPBESRZSA-N 2 0 269.433 1.755 10 0 CDAERP CCCC[NH2+][C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001317266543 957390972 /nfs/dbraw/zinc/39/09/72/957390972.db2.gz XTHCECCSDSGXFO-CHWSQXEVSA-N 2 0 255.406 1.223 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)CCOC1CCC1 ZINC001424923888 957410719 /nfs/dbraw/zinc/41/07/19/957410719.db2.gz LXMCDYAYWQBDCI-ZFWWWQNUSA-N 2 0 297.443 1.086 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)CCOC1CCC1 ZINC001424923878 957411387 /nfs/dbraw/zinc/41/13/87/957411387.db2.gz LXMCDYAYWQBDCI-HIFRSBDPSA-N 2 0 297.443 1.086 10 0 CDAERP C[C@H]1C[C@@H](N(C)C(=O)NCCCCCC[NH3+])CC[N@@H+]1C ZINC001332141116 957450247 /nfs/dbraw/zinc/45/02/47/957450247.db2.gz AXYIYDXPEOABQB-KBPBESRZSA-N 2 0 284.448 1.630 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001317456408 957488903 /nfs/dbraw/zinc/48/89/03/957488903.db2.gz JZRNKDMZCPYULZ-QWHCGFSZSA-N 2 0 255.406 1.175 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]CC1CC(C)C1 ZINC001425693822 957601842 /nfs/dbraw/zinc/60/18/42/957601842.db2.gz KBKLSQFHSVCKMM-SLTAFYQDSA-N 2 0 283.460 1.809 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@@H]1[NH+](CCOC)CC2 ZINC001425917134 957642928 /nfs/dbraw/zinc/64/29/28/957642928.db2.gz VSVFLVZUVLLWHC-HOCLYGCPSA-N 2 0 297.443 1.088 10 0 CDAERP COCCCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001494709322 972294718 /nfs/dbraw/zinc/29/47/18/972294718.db2.gz HQSNIJFIECHFFN-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCC[NH+](CCCCCF)C2)C1 ZINC001317955178 957827471 /nfs/dbraw/zinc/82/74/71/957827471.db2.gz HDBZMTUNHOJFGJ-LSDHHAIUSA-N 2 0 299.434 1.659 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@](C)(C[NH2+]C(C)C)C2CC2)CC[N@@H+]1C ZINC001367186279 957832931 /nfs/dbraw/zinc/83/29/31/957832931.db2.gz NZEZKNFICWJDFW-UXLLHSPISA-N 2 0 295.471 2.000 10 0 CDAERP CC(C)=CC[NH+]1CC(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001318154693 957948582 /nfs/dbraw/zinc/94/85/82/957948582.db2.gz KUQAHGBGPGGBMD-UHFFFAOYSA-N 2 0 295.471 1.979 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC2(C[NH2+]CCF)CCCC2)CC[N@@H+]1C ZINC001318635487 958209441 /nfs/dbraw/zinc/20/94/41/958209441.db2.gz DMGRQGYIMDUMRF-UONOGXRCSA-N 2 0 299.434 1.705 10 0 CDAERP C[C@H](C[NH2+]Cc1cncs1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001367680643 958209952 /nfs/dbraw/zinc/20/99/52/958209952.db2.gz KQBKOAOGFBGODB-YPMHNXCESA-N 2 0 296.440 1.222 10 0 CDAERP CC(C)C[N@H+]1CC=C(CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001333354521 958275377 /nfs/dbraw/zinc/27/53/77/958275377.db2.gz LFIZGFGKSNCCPY-UHFFFAOYSA-N 2 0 293.455 1.875 10 0 CDAERP COC[C@H](C[N@@H+]1CCCC2(CC[NH2+]CC2)C1)OC ZINC001333622136 958460573 /nfs/dbraw/zinc/46/05/73/958460573.db2.gz KVFATLFOOHPPFL-ZDUSSCGKSA-N 2 0 256.390 1.113 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]([C@H](C)[NH2+]CCOC)C1 ZINC001319827716 958742283 /nfs/dbraw/zinc/74/22/83/958742283.db2.gz SKQYVBIZFISOSH-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001319833835 958746306 /nfs/dbraw/zinc/74/63/06/958746306.db2.gz UHOJGVBUPPEKDQ-KBPBESRZSA-N 2 0 269.433 1.563 10 0 CDAERP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CC1CCCC1 ZINC001495049888 972388920 /nfs/dbraw/zinc/38/89/20/972388920.db2.gz MBABLDNYRDHPIW-CQSZACIVSA-N 2 0 269.433 1.613 10 0 CDAERP CC(C)CC[NH2+]CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001320547260 959233595 /nfs/dbraw/zinc/23/35/95/959233595.db2.gz DEPHSHDKXIDJPO-LSDHHAIUSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@H](CC[NH2+]CCF)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001320575156 959250636 /nfs/dbraw/zinc/25/06/36/959250636.db2.gz OBWGNANHYMLTHY-CYBMUJFWSA-N 2 0 295.402 1.816 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@]2(C)C[NH+](C(C)C)C[C@]2(C)C1 ZINC001369157141 959491833 /nfs/dbraw/zinc/49/18/33/959491833.db2.gz SLFIWZBFWIYABV-CALCHBBNSA-N 2 0 295.471 1.907 10 0 CDAERP CN(C(=O)C[NH+]1CCCC1)[C@@H](C[NH2+]CC1CCC1)C1CC1 ZINC001369218199 959534751 /nfs/dbraw/zinc/53/47/51/959534751.db2.gz CQZZXSKVQBTZRE-INIZCTEOSA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC1CC1 ZINC001369266768 959588609 /nfs/dbraw/zinc/58/86/09/959588609.db2.gz XGHFLUQEIXKFLJ-ZBFHGGJFSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)C[NH2+]C[C@@](C)(NC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001495276049 972462934 /nfs/dbraw/zinc/46/29/34/972462934.db2.gz FIIAYJZOXSZYFU-WMLDXEAASA-N 2 0 295.471 1.859 10 0 CDAERP C[C@H](C[NH2+]CCC1CC1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001321652891 959892661 /nfs/dbraw/zinc/89/26/61/959892661.db2.gz SBPNYKMPBNDEKM-CHWSQXEVSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001370566537 960147076 /nfs/dbraw/zinc/14/70/76/960147076.db2.gz UEWIWXOMLYWFCA-KKUMJFAQSA-N 2 0 299.434 1.847 10 0 CDAERP C[C@@H]([NH2+][C@@H](C)CNC(=O)CC[NH+](C)C)c1cccc(F)c1 ZINC001371356636 972484167 /nfs/dbraw/zinc/48/41/67/972484167.db2.gz XTEBHXLVULZBSK-QWHCGFSZSA-N 2 0 295.402 1.933 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]C/C=C/Cl)C2)C1 ZINC001370685093 960182895 /nfs/dbraw/zinc/18/28/95/960182895.db2.gz YVNIAGFXXHLVQF-LSUKPBCKSA-N 2 0 285.819 1.318 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCC2)C1 ZINC001370701513 960183389 /nfs/dbraw/zinc/18/33/89/960183389.db2.gz BWJAJYXOSNGUJL-GASCZTMLSA-N 2 0 281.444 1.755 10 0 CDAERP CCCCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001323226830 960562601 /nfs/dbraw/zinc/56/26/01/960562601.db2.gz PKGVHJIQXNIGIS-QLFBSQMISA-N 2 0 281.444 1.707 10 0 CDAERP CC[N@@H+]1CC[C@H]1C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC001433813935 960647958 /nfs/dbraw/zinc/64/79/58/960647958.db2.gz HWZWZHCFBKCHIU-HNNXBMFYSA-N 2 0 281.444 1.661 10 0 CDAERP CC(C)[C@@H](C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1)[NH+]1CCCC1 ZINC001418697648 960915155 /nfs/dbraw/zinc/91/51/55/960915155.db2.gz JNBNNESDBSPEBP-CVEARBPZSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CC[C@@H](C)F)C1)[NH+](C)C ZINC001419062961 961326422 /nfs/dbraw/zinc/32/64/22/961326422.db2.gz NOMAXWHGEXKVMM-HZSPNIEDSA-N 2 0 287.423 1.511 10 0 CDAERP C[N@@H+]1C[C@@]23CN(CCN4CCOC4=O)C[C@]2(C1)CCCC3 ZINC001434494455 961534960 /nfs/dbraw/zinc/53/49/60/961534960.db2.gz CELPPESWSNTJLB-IYBDPMFKSA-N 2 0 293.411 1.246 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)[NH2+]CCF ZINC001419268017 961568955 /nfs/dbraw/zinc/56/89/55/961568955.db2.gz GTHIESRDOWFCRC-UONOGXRCSA-N 2 0 287.423 1.561 10 0 CDAERP C[C@H](Cc1c[nH]cn1)C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CC2)C1 ZINC001419497060 961761970 /nfs/dbraw/zinc/76/19/70/961761970.db2.gz MVJZEBXCNYHYQV-BNOWGMLFSA-N 2 0 290.411 1.625 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCC[NH+](CC2CCC2)C1 ZINC001419564252 961818281 /nfs/dbraw/zinc/81/82/81/961818281.db2.gz VKBJVWNBARGWOH-MRXNPFEDSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001436363951 962212201 /nfs/dbraw/zinc/21/22/01/962212201.db2.gz HGKMCHOWCVYJIE-MELADBBJSA-N 2 0 297.418 1.315 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CC(C)(C)C1 ZINC001419927568 962244610 /nfs/dbraw/zinc/24/46/10/962244610.db2.gz RZAWLUFDUPPGDE-GXTWGEPZSA-N 2 0 281.444 1.469 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CCOC1CCC1 ZINC001436480571 962279463 /nfs/dbraw/zinc/27/94/63/962279463.db2.gz HSYUFTJRMDIBTI-HIFRSBDPSA-N 2 0 297.443 1.086 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@H]([NH2+]CCC2CCCC2)C1 ZINC001419967923 962306319 /nfs/dbraw/zinc/30/63/19/962306319.db2.gz JOPCYLAXORGJFE-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@@H](C[NH2+]C(C)C)C1 ZINC001419986979 962332033 /nfs/dbraw/zinc/33/20/33/962332033.db2.gz JMYDIFNFVZZOJJ-KBPBESRZSA-N 2 0 287.423 1.513 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001436726222 962371107 /nfs/dbraw/zinc/37/11/07/962371107.db2.gz OPWKJYQSIXSRNW-CABCVRRESA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]Cc1nccs1 ZINC001420166895 962515742 /nfs/dbraw/zinc/51/57/42/962515742.db2.gz YWFDWZSLKHQJAX-LBPRGKRZSA-N 2 0 296.440 1.223 10 0 CDAERP CC(C)CC[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001437004731 962554854 /nfs/dbraw/zinc/55/48/54/962554854.db2.gz QDFOGYMOBVNMLW-HNNXBMFYSA-N 2 0 283.460 1.812 10 0 CDAERP Cc1nc(C[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C)sc1C ZINC001420343214 962765180 /nfs/dbraw/zinc/76/51/80/962765180.db2.gz XPMXSIWUYYIEID-SNVBAGLBSA-N 2 0 298.456 1.306 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1cnc(C)s1 ZINC001437252430 962772164 /nfs/dbraw/zinc/77/21/64/962772164.db2.gz WLZKTUMWMXXWNB-LLVKDONJSA-N 2 0 298.456 1.388 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CC[NH+](CCF)C1 ZINC001420525575 963009585 /nfs/dbraw/zinc/00/95/85/963009585.db2.gz DGDUEYJNPSTWEH-KGLIPLIRSA-N 2 0 285.407 1.268 10 0 CDAERP C[C@@H](F)CC[N@H+](C)C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001420594832 963106501 /nfs/dbraw/zinc/10/65/01/963106501.db2.gz LNBJCBIZDBBYOA-KGLIPLIRSA-N 2 0 299.434 1.799 10 0 CDAERP C[C@H](C[N@H+](C)CC1CCC1)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001420604787 963113468 /nfs/dbraw/zinc/11/34/68/963113468.db2.gz AJAHPKMWABJTOL-YCPHGPKFSA-N 2 0 295.471 1.953 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001420775980 963233845 /nfs/dbraw/zinc/23/38/45/963233845.db2.gz YYRXYROPJNNZSP-UKRRQHHQSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001420863984 963310704 /nfs/dbraw/zinc/31/07/04/963310704.db2.gz AYAGWNLYHVYOHE-MRXNPFEDSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+]C[C@@H]1CCCCO1 ZINC001438547537 963482853 /nfs/dbraw/zinc/48/28/53/963482853.db2.gz FLHAVSFQPQMMAS-CABCVRRESA-N 2 0 299.459 1.238 10 0 CDAERP CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](F)C[NH+](CC)CC ZINC001421200274 963497023 /nfs/dbraw/zinc/49/70/23/963497023.db2.gz BADGDDRFVOPREA-KKUMJFAQSA-N 2 0 299.434 1.752 10 0 CDAERP CCC[N@@H+]1CCC[C@@](C)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001421294525 963539659 /nfs/dbraw/zinc/53/96/59/963539659.db2.gz WHVMKWAYUURPHI-RDJZCZTQSA-N 2 0 295.471 1.957 10 0 CDAERP CC[C@H](C(=O)NCC1([NH2+]CC2CCCC2)CC1)[NH+](C)C ZINC001439619277 963823299 /nfs/dbraw/zinc/82/32/99/963823299.db2.gz CJGFSIGMKZTPCL-CQSZACIVSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)[NH+]1CCC(C)(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001439811286 963867530 /nfs/dbraw/zinc/86/75/30/963867530.db2.gz ZPZXUGUSKJXBNX-CQSZACIVSA-N 2 0 281.444 1.707 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001439813029 963867575 /nfs/dbraw/zinc/86/75/75/963867575.db2.gz LPJBPXLJTKHVBJ-UKRRQHHQSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001439911273 963894196 /nfs/dbraw/zinc/89/41/96/963894196.db2.gz GHFGBPQVDVPGQK-GDBMZVCRSA-N 2 0 281.444 1.422 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001440338130 963992034 /nfs/dbraw/zinc/99/20/34/963992034.db2.gz DGSDEGAVIPXOAY-MGPQQGTHSA-N 2 0 299.434 1.703 10 0 CDAERP COC[C@@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+](C)C ZINC001440423590 964036547 /nfs/dbraw/zinc/03/65/47/964036547.db2.gz VKALTAMKURDUMG-KFWWJZLASA-N 2 0 299.459 1.190 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CCC(C)(C)C ZINC001440499517 964088473 /nfs/dbraw/zinc/08/84/73/964088473.db2.gz UFPHPDPXVFSCDP-KGLIPLIRSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@H](NC(=O)CC[NH+](C)C)C1C[NH+](CCC2CCCC2)C1 ZINC001441186195 964411572 /nfs/dbraw/zinc/41/15/72/964411572.db2.gz ZJONWBOZEIJSNM-AWEZNQCLSA-N 2 0 295.471 1.955 10 0 CDAERP CCC(CC)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001441278640 964445142 /nfs/dbraw/zinc/44/51/42/964445142.db2.gz IVVFLMWYWKOVHC-PHZGNYQRSA-N 2 0 295.471 1.668 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH2+]C(C)C)C1CC1 ZINC001441292417 964452065 /nfs/dbraw/zinc/45/20/65/964452065.db2.gz GSBBOHICWCMBEJ-GJZGRUSLSA-N 2 0 281.444 1.754 10 0 CDAERP CC[NH2+][C@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001441361499 964476455 /nfs/dbraw/zinc/47/64/55/964476455.db2.gz SQSMIDSBPIQLNF-HOTGVXAUSA-N 2 0 289.423 1.890 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001441368841 964479249 /nfs/dbraw/zinc/47/92/49/964479249.db2.gz YYZRXDXJIZUGFE-XQLPTFJDSA-N 2 0 299.434 1.561 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCNC(=O)COC1CC[NH+](C)CC1 ZINC001442560731 965115668 /nfs/dbraw/zinc/11/56/68/965115668.db2.gz MPOJVEDAQDUEPG-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1CCC[N@@H+](C[C@@H](C)CC)C1)[NH+](C)C ZINC001443409322 965460390 /nfs/dbraw/zinc/46/03/90/965460390.db2.gz SAWDBXKRUAJONZ-RRFJBIMHSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H](C[NH2+]CC1CC1)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001444590165 965892427 /nfs/dbraw/zinc/89/24/27/965892427.db2.gz AYSPAJPATDYIAP-SWLSCSKDSA-N 2 0 279.428 1.175 10 0 CDAERP Cc1cc(C[NH2+]C[C@@H](C)NC(=O)CCC[NH+](C)C)sn1 ZINC001445438486 966198285 /nfs/dbraw/zinc/19/82/85/966198285.db2.gz RERJYQKPZIGVPG-GFCCVEGCSA-N 2 0 298.456 1.388 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH2+]CC(C)C)[C@@H](C)C1 ZINC001349486860 966363322 /nfs/dbraw/zinc/36/33/22/966363322.db2.gz IRFIBPATKDKRNI-KBPBESRZSA-N 2 0 269.433 1.421 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCC ZINC001446324440 966513743 /nfs/dbraw/zinc/51/37/43/966513743.db2.gz VWFKSDLNVVPNGS-GASCZTMLSA-N 2 0 281.444 1.804 10 0 CDAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CCC(F)(F)F ZINC001447534610 966811258 /nfs/dbraw/zinc/81/12/58/966811258.db2.gz CDZIRPCRZNBOMZ-WDEREUQCSA-N 2 0 295.349 1.327 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1CCC(C)([NH2+]CCF)CC1 ZINC001447567354 966819872 /nfs/dbraw/zinc/81/98/72/966819872.db2.gz WOGOTTXTHFTGQB-UHFFFAOYSA-N 2 0 287.423 1.659 10 0 CDAERP CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001447770959 966869842 /nfs/dbraw/zinc/86/98/42/966869842.db2.gz QGWIMTURHDWSGQ-HNNXBMFYSA-N 2 0 281.444 1.805 10 0 CDAERP CCCC[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001447770965 966870352 /nfs/dbraw/zinc/87/03/52/966870352.db2.gz QGWIMTURHDWSGQ-OAHLLOKOSA-N 2 0 281.444 1.805 10 0 CDAERP CC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001448212027 967033165 /nfs/dbraw/zinc/03/31/65/967033165.db2.gz GZZGIPYYKINKBR-RBSFLKMASA-N 2 0 283.460 1.809 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[NH+](CCCF)CC1(C)C ZINC001448418863 967105392 /nfs/dbraw/zinc/10/53/92/967105392.db2.gz PSDWHTWROXWPHP-ZDUSSCGKSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NCCC[NH+]1CCCCCC1 ZINC001540452232 967140825 /nfs/dbraw/zinc/14/08/25/967140825.db2.gz AMTZYWLEQLGATP-HNNXBMFYSA-N 2 0 283.460 1.957 10 0 CDAERP C[C@H](C(=O)N(C)C[C@H](C)[NH2+]CCF)[NH+]1CCCCCC1 ZINC001448725173 967228402 /nfs/dbraw/zinc/22/84/02/967228402.db2.gz HRLHFUNTLVMIAD-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCC(C)C)[C@H]1C ZINC001448981049 967322730 /nfs/dbraw/zinc/32/27/30/967322730.db2.gz OPUVWQUOSLEOCA-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP CC[NH+](CC)CC[C@H](C)NC(=O)C[N@H+](CC)C1CC1 ZINC001529413720 969040122 /nfs/dbraw/zinc/04/01/22/969040122.db2.gz BTRTVRYQNRKGTE-ZDUSSCGKSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CC(C[NH+](C)C)C2)C1 ZINC001468177389 970132058 /nfs/dbraw/zinc/13/20/58/970132058.db2.gz GKQJJEHVAUNZJT-CQSZACIVSA-N 2 0 267.417 1.127 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](C)C2)CC1 ZINC001361670512 970402477 /nfs/dbraw/zinc/40/24/77/970402477.db2.gz SHXDEYAGBVJDIG-CQSZACIVSA-N 2 0 281.444 1.422 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC001361844908 970596632 /nfs/dbraw/zinc/59/66/32/970596632.db2.gz LSWMKIOMAADMJP-XUWVNRHRSA-N 2 0 293.455 1.850 10 0 CDAERP CC[C@@H](C(=O)NC[C@H](C)C[NH2+]C/C=C/Cl)[NH+](C)C ZINC001495742029 972616829 /nfs/dbraw/zinc/61/68/29/972616829.db2.gz NWEFLMIUVYCESW-JIVBQCDMSA-N 2 0 275.824 1.421 10 0 CDAERP CC(C)[C@@H](C(=O)NCC[N@H+](C)CCCF)[NH+]1CCCC1 ZINC001372251362 972874087 /nfs/dbraw/zinc/87/40/87/972874087.db2.gz YGZOBNZJLJTFRW-AWEZNQCLSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)[NH2+][C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001496563153 972973290 /nfs/dbraw/zinc/97/32/90/972973290.db2.gz XVSQUOXAYVTNNC-LSDHHAIUSA-N 2 0 281.444 1.467 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+](CCCF)C2CC2)CC[N@@H+]1C ZINC001372811160 973155144 /nfs/dbraw/zinc/15/51/44/973155144.db2.gz ZOZRHAMJRYHMHY-LSDHHAIUSA-N 2 0 299.434 1.657 10 0 CDAERP C[C@@H](F)CC[NH2+]CC[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001497204690 973243311 /nfs/dbraw/zinc/24/33/11/973243311.db2.gz FGJSWVNGRFWMIK-OLZOCXBDSA-N 2 0 287.423 1.703 10 0 CDAERP CCN(CC[NH2+]CCC[C@@H](C)O)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001497418681 973337958 /nfs/dbraw/zinc/33/79/58/973337958.db2.gz SJPDQQIZPITHTD-HUUCEWRRSA-N 2 0 299.459 1.070 10 0 CDAERP C[C@H](C[NH2+]C/C=C\Cl)NC(=O)C1CC[NH+](C)CC1 ZINC001497900947 973568013 /nfs/dbraw/zinc/56/80/13/973568013.db2.gz WHBNNPGYTYELHS-ZTYXWKCZSA-N 2 0 273.808 1.175 10 0 CDAERP COC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001418099208 973583450 /nfs/dbraw/zinc/58/34/50/973583450.db2.gz PYBUKZVITJMZNB-BYNSBNAKSA-N 2 0 297.443 1.131 10 0 CDAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC1CCCC1 ZINC001373828341 973658762 /nfs/dbraw/zinc/65/87/62/973658762.db2.gz CNQARTDXECTQAU-GJZGRUSLSA-N 2 0 281.444 1.613 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]([NH2+]CC2CCC2)C1 ZINC001418325988 973749119 /nfs/dbraw/zinc/74/91/19/973749119.db2.gz PIXYMNMGDQAWLB-GJZGRUSLSA-N 2 0 299.434 1.657 10 0 CDAERP Cc1nc(C[NH2+][C@@H](C)CCNC(=O)[C@@H]2CCC[N@@H+]2C)co1 ZINC001418393580 973794940 /nfs/dbraw/zinc/79/49/40/973794940.db2.gz JHAVCBIMJIVKQQ-FZMZJTMJSA-N 2 0 294.399 1.062 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)NCC[C@H](C)[NH2+]CCF)C1 ZINC001418413626 973808453 /nfs/dbraw/zinc/80/84/53/973808453.db2.gz RSMUATLZGWPJLX-KBPBESRZSA-N 2 0 287.423 1.562 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001374219495 973843926 /nfs/dbraw/zinc/84/39/26/973843926.db2.gz PFUQKECKXDGQSF-CABCVRRESA-N 2 0 283.460 1.952 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)C[NH+](C)CC)C1 ZINC001498366266 973861524 /nfs/dbraw/zinc/86/15/24/973861524.db2.gz PDICRRCJJGRQGI-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC1CC1)C1CC1 ZINC001375236879 974299928 /nfs/dbraw/zinc/29/99/28/974299928.db2.gz BKQHUVISEKRGLZ-LSDHHAIUSA-N 2 0 279.428 1.365 10 0 CDAERP CCC[N@H+](C)CCC(=O)N(C)C1C[NH+](CCC(C)C)C1 ZINC001499774671 974302312 /nfs/dbraw/zinc/30/23/12/974302312.db2.gz JGQFZUKFORLLFI-UHFFFAOYSA-N 2 0 283.460 1.907 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCF ZINC001499891278 974325639 /nfs/dbraw/zinc/32/56/39/974325639.db2.gz BHYDGPCOLMRHSU-ZIAGYGMSSA-N 2 0 285.407 1.409 10 0 CDAERP CC[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001375323397 974336558 /nfs/dbraw/zinc/33/65/58/974336558.db2.gz MYFNHCNGEHVWBL-CQSZACIVSA-N 2 0 281.444 1.850 10 0 CDAERP CCC[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C1CCCC1 ZINC001500126977 974379699 /nfs/dbraw/zinc/37/96/99/974379699.db2.gz RAQPCVAYFPLKTL-HNNXBMFYSA-N 2 0 281.444 1.757 10 0 CDAERP C[C@@H](F)CC[NH2+]C1(CNC(=O)CCn2ccnc2)CC1 ZINC001375460972 974389344 /nfs/dbraw/zinc/38/93/44/974389344.db2.gz WWCCPZREKLUFDI-GFCCVEGCSA-N 2 0 282.363 1.260 10 0 CDAERP CN(C(=O)CCC[NH+]1CCCC1)C1C[NH+](CC2CCC2)C1 ZINC001375722895 974464616 /nfs/dbraw/zinc/46/46/16/974464616.db2.gz ARMZFUNXWMGXGX-UHFFFAOYSA-N 2 0 293.455 1.805 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC001376061053 974546505 /nfs/dbraw/zinc/54/65/05/974546505.db2.gz NPJIZNDSMMWJFE-STQMWFEESA-N 2 0 273.396 1.267 10 0 CDAERP CC(C)C[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001376448602 974664864 /nfs/dbraw/zinc/66/48/64/974664864.db2.gz VUUGMTAJOYVKBI-WCVJEAGWSA-N 2 0 295.471 2.000 10 0 CDAERP CC(C)C[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001376475347 974671778 /nfs/dbraw/zinc/67/17/78/974671778.db2.gz DISSJKFOWLQEIR-SOUVJXGZSA-N 2 0 283.460 1.857 10 0 CDAERP CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001376493263 974674795 /nfs/dbraw/zinc/67/47/95/974674795.db2.gz STGSJSCBQNBZBF-XHSDSOJGSA-N 2 0 289.423 1.936 10 0 CDAERP CCC[NH2+]C1(C)CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001502795133 974784921 /nfs/dbraw/zinc/78/49/21/974784921.db2.gz ASXOEDDKHHDCMH-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CCC(CC)C[NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001376923482 974820552 /nfs/dbraw/zinc/82/05/52/974820552.db2.gz XJIPRXBSWCQIIA-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC1CCCC1 ZINC001377099987 974880680 /nfs/dbraw/zinc/88/06/80/974880680.db2.gz LSNXOFQBHXIELH-CQSZACIVSA-N 2 0 293.455 1.757 10 0 CDAERP C[N@H+](C/C=C/Cl)C[C@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001505460851 974887483 /nfs/dbraw/zinc/88/74/83/974887483.db2.gz BPZYSCQHGBCRMP-QFVHEQCKSA-N 2 0 299.846 1.613 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@H](CNC(=O)Cn2cncc2C)C1 ZINC001377445984 975029923 /nfs/dbraw/zinc/02/99/23/975029923.db2.gz OTKUIXFIKYWPKU-UKRRQHHQSA-N 2 0 292.427 1.676 10 0 CDAERP C[C@H](F)CC[N@@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001377838663 975153054 /nfs/dbraw/zinc/15/30/54/975153054.db2.gz VQOYRCYRPPASPZ-KBPBESRZSA-N 2 0 299.434 1.799 10 0 CDAERP CC(C)[NH2+][C@@H](CCN(C)C(=O)CC[NH+](C)C)C(C)C ZINC001506492005 975167871 /nfs/dbraw/zinc/16/78/71/975167871.db2.gz VORPMVKAOHPHDY-AWEZNQCLSA-N 2 0 271.449 1.809 10 0 CDAERP CCC[NH+]1CC([C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001506664260 975199569 /nfs/dbraw/zinc/19/95/69/975199569.db2.gz KDONYACMPIPBFA-CHWSQXEVSA-N 2 0 267.417 1.175 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C1C[NH+](CC[C@H](C)F)C1 ZINC001506679319 975202202 /nfs/dbraw/zinc/20/22/02/975202202.db2.gz OJSGGPULGAPVPF-QWHCGFSZSA-N 2 0 287.423 1.511 10 0 CDAERP C[C@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CCC1CC1 ZINC001507074746 975326261 /nfs/dbraw/zinc/32/62/61/975326261.db2.gz WKXCYSURRJTMPL-CJNGLKHVSA-N 2 0 293.455 1.565 10 0 CDAERP CC(C)C[NH2+]C[C@](C)(NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001401023444 975438251 /nfs/dbraw/zinc/43/82/51/975438251.db2.gz KDJUCQWULJUARO-YOEHRIQHSA-N 2 0 295.471 1.859 10 0 CDAERP C[NH+](C)CCC(=O)NCCC1CC[NH+](CC2CC2)CC1 ZINC001401078496 975444077 /nfs/dbraw/zinc/44/40/77/975444077.db2.gz WGPHQYIWFGHPAF-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)C[C@H]1CC[NH+]1CC[C@@H](C)F ZINC001397040387 975447314 /nfs/dbraw/zinc/44/73/14/975447314.db2.gz GWNXUOABFINQPD-ZIAGYGMSSA-N 2 0 287.423 1.609 10 0 CDAERP CCCC[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC1(C)C ZINC001507443334 975472583 /nfs/dbraw/zinc/47/25/83/975472583.db2.gz OMOBPPQNETYSIX-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+][C@@H](C)COC)C(C)(C)C1 ZINC001507451285 975475253 /nfs/dbraw/zinc/47/52/53/975475253.db2.gz ONHZYUWSRWVVHZ-UONOGXRCSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@@H](C[NH2+]CC1CCCCC1)N(C)C(=O)CC[NH+](C)C ZINC001401247712 975543053 /nfs/dbraw/zinc/54/30/53/975543053.db2.gz OXABPOBBDPRSOA-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001401302369 975571429 /nfs/dbraw/zinc/57/14/29/975571429.db2.gz SAOQVHGZEQLPCU-HUUCEWRRSA-N 2 0 283.460 1.809 10 0 CDAERP CC(C)C[NH2+][C@H](CCNC(=O)C[NH+]1CCCC1)C(C)C ZINC001378980635 975574706 /nfs/dbraw/zinc/57/47/06/975574706.db2.gz UQUZKPUKPCUTCK-OAHLLOKOSA-N 2 0 283.460 1.859 10 0 CDAERP CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001397583758 975644633 /nfs/dbraw/zinc/64/46/33/975644633.db2.gz UZMFLEIJQMSENT-XJKSGUPXSA-N 2 0 299.434 1.752 10 0 CDAERP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]Cc1ccsc1 ZINC001379326156 975767983 /nfs/dbraw/zinc/76/79/83/975767983.db2.gz MSZPXORHZOVMCU-ZDUSSCGKSA-N 2 0 295.452 1.780 10 0 CDAERP CCC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)C1CC1 ZINC001389695337 975957367 /nfs/dbraw/zinc/95/73/67/975957367.db2.gz RRGUEEDSQBLUEJ-HUUCEWRRSA-N 2 0 281.444 1.755 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@]12CCC[C@@H]1[N@H+](CCF)CC2 ZINC001379634924 975975006 /nfs/dbraw/zinc/97/50/06/975975006.db2.gz RHBCWDCNTLWJPC-ZFWWWQNUSA-N 2 0 285.407 1.411 10 0 CDAERP CC[C@H](F)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001401985112 976058186 /nfs/dbraw/zinc/05/81/86/976058186.db2.gz IWQXINGFUWRGFC-KBPBESRZSA-N 2 0 299.434 1.847 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC(F)(F)F)C1 ZINC001389954506 976061935 /nfs/dbraw/zinc/06/19/35/976061935.db2.gz CGHSSTXYUPPIJG-AXFHLTTASA-N 2 0 293.333 1.270 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2)C1 ZINC001389986094 976072640 /nfs/dbraw/zinc/07/26/40/976072640.db2.gz HQXCWNYKFSMQRE-IYBDPMFKSA-N 2 0 289.423 1.765 10 0 CDAERP CC(C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001390044185 976098452 /nfs/dbraw/zinc/09/84/52/976098452.db2.gz XTGFGVSGMFKADP-QLFBSQMISA-N 2 0 281.444 1.752 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CCC[NH+](CCF)C2)C1 ZINC001390067330 976109994 /nfs/dbraw/zinc/10/99/94/976109994.db2.gz UGODPHHGZPANFG-ZIAGYGMSSA-N 2 0 285.407 1.126 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1([NH2+]CC2CC2)CC1 ZINC001380102709 976246547 /nfs/dbraw/zinc/24/65/47/976246547.db2.gz MCXFGKBWNSYIDP-CQSZACIVSA-N 2 0 279.428 1.509 10 0 CDAERP CC[C@H](C)C[NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001402365227 976253997 /nfs/dbraw/zinc/25/39/97/976253997.db2.gz OYVULJOYSUATHR-DZGCQCFKSA-N 2 0 293.455 1.613 10 0 CDAERP CC[C@H](C[NH2+]C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1)OC ZINC001380289846 976334186 /nfs/dbraw/zinc/33/41/86/976334186.db2.gz JNIZDVRJLLKCOE-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001402635235 976413714 /nfs/dbraw/zinc/41/37/14/976413714.db2.gz UVOKRJYMUWSKGK-RWMBFGLXSA-N 2 0 283.391 1.067 10 0 CDAERP C[C@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC1CCC1 ZINC001390671833 976428922 /nfs/dbraw/zinc/42/89/22/976428922.db2.gz NJVPAIBCGLORPY-UKRRQHHQSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC1CC1 ZINC001402820247 976500423 /nfs/dbraw/zinc/50/04/23/976500423.db2.gz HYQLXIMSCZLCEE-ZFWWWQNUSA-N 2 0 281.444 1.754 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001407000114 976508527 /nfs/dbraw/zinc/50/85/27/976508527.db2.gz BUZDLNGRKAMXAW-CQSZACIVSA-N 2 0 299.434 1.849 10 0 CDAERP CC[C@H](F)C[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001399854829 976702628 /nfs/dbraw/zinc/70/26/28/976702628.db2.gz QQZSIAQKTUFSHG-ZFWWWQNUSA-N 2 0 299.434 1.799 10 0 CDAERP C[N@H+](CCF)C[C@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001400228941 976937605 /nfs/dbraw/zinc/93/76/05/976937605.db2.gz NPBVAWNJWGIXIP-UONOGXRCSA-N 2 0 285.407 1.078 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC1CC1 ZINC001403568592 977069272 /nfs/dbraw/zinc/06/92/72/977069272.db2.gz NZNJISFZTFHJKU-ZFWWWQNUSA-N 2 0 281.444 1.707 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2C[NH+](CCC(C)(C)C)C2)C1 ZINC001400542805 977085358 /nfs/dbraw/zinc/08/53/58/977085358.db2.gz ANZSPFTYQPNMLO-AWEZNQCLSA-N 2 0 295.471 1.812 10 0 CDAERP CC(C)[NH2+]CCC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001391814358 977106364 /nfs/dbraw/zinc/10/63/64/977106364.db2.gz HWTSUYNTGJSHPS-UHFFFAOYSA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001391861665 977117963 /nfs/dbraw/zinc/11/79/63/977117963.db2.gz QPJOSNWNASFODO-CQSZACIVSA-N 2 0 279.428 1.319 10 0 CDAERP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]Cc1ccns1 ZINC001382163972 977198160 /nfs/dbraw/zinc/19/81/60/977198160.db2.gz RHSSZONKOILMIX-LBPRGKRZSA-N 2 0 296.440 1.175 10 0 CDAERP CCC[N@H+](C)C[C@H](O)CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001403921568 977262883 /nfs/dbraw/zinc/26/28/83/977262883.db2.gz WSYRSZCNCVJNFH-HNNXBMFYSA-N 2 0 299.459 1.024 10 0 CDAERP CC(C)[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CCF ZINC001392225847 977271286 /nfs/dbraw/zinc/27/12/86/977271286.db2.gz KNOZHQWDLHJIIP-AWEZNQCLSA-N 2 0 299.434 1.562 10 0 CDAERP CN(CC[N@H+](C)Cc1ccc(F)cc1)C(=O)CC[NH+](C)C ZINC001392302379 977398354 /nfs/dbraw/zinc/39/83/54/977398354.db2.gz HOAHHRJYOUCRAR-UHFFFAOYSA-N 2 0 295.402 1.668 10 0 CDAERP CC(C)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001392573941 977492554 /nfs/dbraw/zinc/49/25/54/977492554.db2.gz QSSGACMPQZUSKL-LSDHHAIUSA-N 2 0 283.460 1.857 10 0 CDAERP C[C@@H](F)CC[N@H+](C)C[C@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001392662302 977534848 /nfs/dbraw/zinc/53/48/48/977534848.db2.gz SYVKZXPTSPZCSH-OLZOCXBDSA-N 2 0 287.423 1.655 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCN1CCC(F)(F)F ZINC001392877579 977635679 /nfs/dbraw/zinc/63/56/79/977635679.db2.gz OHMFJBXSAOXGJD-NSHDSACASA-N 2 0 295.349 1.470 10 0 CDAERP CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](F)C[NH+](CC)CC ZINC001393858795 977934403 /nfs/dbraw/zinc/93/44/03/977934403.db2.gz VRVJKOUGBXDRAA-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)CCCF ZINC001394139671 978086102 /nfs/dbraw/zinc/08/61/02/978086102.db2.gz PQDOHZXWOOZAFK-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](CC3CC3)CC2(C)C)CCC1 ZINC001394285747 978125300 /nfs/dbraw/zinc/12/53/00/978125300.db2.gz LXUFECGTDMHPHR-CQSZACIVSA-N 2 0 293.455 1.707 10 0 CDAERP CCC[NH+]1CCC([C@@H](C)NC(=O)CC[N@H+](C)CC)CC1 ZINC001394841374 978281136 /nfs/dbraw/zinc/28/11/36/978281136.db2.gz WIMUDRBZBCOWGL-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H](CNC(=O)[C@@H](C)CC[NH+](C)C)C[NH+]1CCCC1 ZINC001626178872 1163398906 /nfs/dbraw/zinc/39/89/06/1163398906.db2.gz MTWRRIWDQVWJBO-KBPBESRZSA-N 2 0 269.433 1.422 10 0 CDAERP COCCCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001570712512 1170248854 /nfs/dbraw/zinc/24/88/54/1170248854.db2.gz MKDINDJFZMXBSE-RRFJBIMHSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CCC[NH2+]CCF ZINC001571253507 1170356116 /nfs/dbraw/zinc/35/61/16/1170356116.db2.gz LOCDHPOQNRZHMD-UONOGXRCSA-N 2 0 287.423 1.703 10 0 CDAERP C[C@H](CCC[NH2+]CC1CC1)NC(=O)C[NH+]1CCCC1 ZINC001571324686 1170366446 /nfs/dbraw/zinc/36/64/46/1170366446.db2.gz LSJBURUGNCLWIN-CYBMUJFWSA-N 2 0 267.417 1.367 10 0 CDAERP COC/C(C)=C\C[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001656476001 1171831511 /nfs/dbraw/zinc/83/15/11/1171831511.db2.gz YRVTYMOXYLKNME-SOFYXZRVSA-N 2 0 296.455 1.892 10 0 CDAERP COc1cc(C[NH2+]CCC2(C[NH3+])CC2)cc2c1OCCO2 ZINC000650712176 398154619 /nfs/dbraw/zinc/15/46/19/398154619.db2.gz UOWGFTRRAIOHPO-UHFFFAOYSA-N 2 0 292.379 1.685 10 0 CDAERP CNC(=O)c1ccc(C[NH2+]CCC2(C[NH3+])CC2)cc1 ZINC000650712745 398155770 /nfs/dbraw/zinc/15/57/70/398155770.db2.gz SFFNJWRBAAOVMX-UHFFFAOYSA-N 2 0 261.369 1.265 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)CC1C[NH+](C)C1)[NH+]1CCCCC1 ZINC000618195177 342143152 /nfs/dbraw/zinc/14/31/52/342143152.db2.gz YGYWTJCMPCHWNH-HNNXBMFYSA-N 2 0 281.444 1.517 10 0 CDAERP CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@@H]1CC[NH3+] ZINC000616607752 361831214 /nfs/dbraw/zinc/83/12/14/361831214.db2.gz MCBRKUDOZGOVAJ-LLVKDONJSA-N 2 0 257.378 1.324 10 0 CDAERP C[C@H]1C[C@@H]1C[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000625463574 342171322 /nfs/dbraw/zinc/17/13/22/342171322.db2.gz MGBURORMVQMLGV-GXTWGEPZSA-N 2 0 252.402 1.469 10 0 CDAERP [NH3+]C1(C[NH2+]Cc2cccc3cccnc32)CCOCC1 ZINC000629387317 361899004 /nfs/dbraw/zinc/89/90/04/361899004.db2.gz HOIFSYGAXGBDFU-UHFFFAOYSA-N 2 0 271.364 1.832 10 0 CDAERP Cc1cn2c(n1)C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)CC2 ZINC000625801434 342201135 /nfs/dbraw/zinc/20/11/35/342201135.db2.gz GMMICICPAGJIBW-BFHYXJOUSA-N 2 0 290.411 1.353 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1nc2c(s1)CCCC2 ZINC000629399055 361929445 /nfs/dbraw/zinc/92/94/45/361929445.db2.gz BKXNAIUEFUSFTI-UHFFFAOYSA-N 2 0 269.414 1.477 10 0 CDAERP CC(C)(C)OC(=O)NCC[C@H]1CCCCN1CC[NH3+] ZINC000616614229 361931286 /nfs/dbraw/zinc/93/12/86/361931286.db2.gz AYSDHWZVDQUTRV-GFCCVEGCSA-N 2 0 271.405 1.714 10 0 CDAERP CCC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1CC1 ZINC000351775144 361939504 /nfs/dbraw/zinc/93/95/04/361939504.db2.gz QXLSYTMREYWANW-UHFFFAOYSA-N 2 0 279.428 1.604 10 0 CDAERP CC[C@@H]([NH3+])C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000130385850 342212970 /nfs/dbraw/zinc/21/29/70/342212970.db2.gz RECSXRYLRKCVMU-HZPDHXFCSA-N 2 0 289.423 1.895 10 0 CDAERP CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)[C@H]1C[C@@H]1C ZINC000333347979 539051848 /nfs/dbraw/zinc/05/18/48/539051848.db2.gz ZRUUWSFJSOIIKW-YIIZKNBGSA-N 2 0 293.455 1.657 10 0 CDAERP CCN1CCC[C@H]([NH2+][C@H](C)C2CC[NH+](C)CC2)C1 ZINC000250385714 539071164 /nfs/dbraw/zinc/07/11/64/539071164.db2.gz XMHXZWYXFSDEGR-HIFRSBDPSA-N 2 0 253.434 1.791 10 0 CDAERP CC(C)(C)OC(=O)N[C@@H]1C[NH2+]CC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000669384820 539072594 /nfs/dbraw/zinc/07/25/94/539072594.db2.gz HPBXZBLOXIQOEI-RWMBFGLXSA-N 2 0 283.416 1.489 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)C[C@@H]1C ZINC000600681793 342242346 /nfs/dbraw/zinc/24/23/46/342242346.db2.gz JUNHWXIWINBDBM-QSLWVIQJSA-N 2 0 268.401 1.694 10 0 CDAERP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@](C)([NH3+])c2ccccc2)CC1 ZINC000335052276 282185923 /nfs/dbraw/zinc/18/59/23/282185923.db2.gz MXOVXYQSLUITOG-WBVHZDCISA-N 2 0 289.423 1.803 10 0 CDAERP COC(=O)CCCC[N@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000599318165 344017013 /nfs/dbraw/zinc/01/70/13/344017013.db2.gz VMAFGZXKGMSGNJ-CHWSQXEVSA-N 2 0 256.390 1.744 10 0 CDAERP C[C@@H](CC[S@](C)=O)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000594932457 342975530 /nfs/dbraw/zinc/97/55/30/342975530.db2.gz QEYRCGJZHIRRJK-YUNKPMOVSA-N 2 0 292.408 1.514 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000079253968 342343200 /nfs/dbraw/zinc/34/32/00/342343200.db2.gz SEVRKSQMHSRVCY-QLFBSQMISA-N 2 0 296.459 1.643 10 0 CDAERP [NH3+]CCCOC1CC[NH+](CCOC2CCOCC2)CC1 ZINC000629514295 362129119 /nfs/dbraw/zinc/12/91/19/362129119.db2.gz PWYKYQCABJCQRF-UHFFFAOYSA-N 2 0 286.416 1.012 10 0 CDAERP C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCC1([NH3+])CCOCC1 ZINC000629519028 362137702 /nfs/dbraw/zinc/13/77/02/362137702.db2.gz DSBQWNHGCMQBKQ-KBPBESRZSA-N 2 0 269.433 1.395 10 0 CDAERP CC1(C)[C@H]([NH2+]CC2([NH3+])CCOCC2)[C@H]2CCCO[C@@H]21 ZINC000629523490 362140077 /nfs/dbraw/zinc/14/00/77/362140077.db2.gz HPBKJJJFGLTEFG-UPJWGTAASA-N 2 0 268.401 1.288 10 0 CDAERP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCOC2CCOCC2)CC1 ZINC000629532705 362165770 /nfs/dbraw/zinc/16/57/70/362165770.db2.gz NHGCOYDBRJNFKS-CVEARBPZSA-N 2 0 298.427 1.010 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054292485 343791632 /nfs/dbraw/zinc/79/16/32/343791632.db2.gz RXVCMOIMNDQAPX-CYBMUJFWSA-N 2 0 255.406 1.176 10 0 CDAERP O=C(N[C@@H]1CC12CC[NH2+]CC2)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000368648840 295710832 /nfs/dbraw/zinc/71/08/32/295710832.db2.gz XYURECBZJPSAPT-YIYPIFLZSA-N 2 0 277.412 1.165 10 0 CDAERP C[NH2+]C[C@H](C)CN[C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000423275494 290718190 /nfs/dbraw/zinc/71/81/90/290718190.db2.gz NCUJCDCOGOJRDL-RRQGHBQHSA-N 2 0 291.439 1.933 10 0 CDAERP C[C@H](NC(=O)[C@@H]1CC[C@H]([NH3+])C1)C(C)(C)C[NH+](C)C ZINC000262660981 344696836 /nfs/dbraw/zinc/69/68/36/344696836.db2.gz GDJGEWFOXQZOFH-TUAOUCFPSA-N 2 0 255.406 1.206 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000618561227 344999189 /nfs/dbraw/zinc/99/91/89/344999189.db2.gz VNOLTACCJVVQPB-HUUCEWRRSA-N 2 0 294.443 1.350 10 0 CDAERP C[NH+](C)CCOCC[NH2+]Cc1ccnn1-c1ccccc1 ZINC000447896495 362546869 /nfs/dbraw/zinc/54/68/69/362546869.db2.gz JHLMTCMRFLWJMV-UHFFFAOYSA-N 2 0 288.395 1.540 10 0 CDAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000263286207 362568084 /nfs/dbraw/zinc/56/80/84/362568084.db2.gz VBDOALHQAYFCBQ-QKPAOTATSA-N 2 0 260.381 1.493 10 0 CDAERP Cc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cc2cccnc12 ZINC000263289362 362585883 /nfs/dbraw/zinc/58/58/83/362585883.db2.gz VMLLZAOKRDGVQA-HUUCEWRRSA-N 2 0 271.364 1.213 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)[C@@]2(C)CCC[NH2+]2)CC1 ZINC000079512746 362645050 /nfs/dbraw/zinc/64/50/50/362645050.db2.gz JBQNUHHRKBAMIM-OAHLLOKOSA-N 2 0 267.417 1.509 10 0 CDAERP CCN(C(=O)C[NH+](CC)C1CC1)[C@H]1CC[N@H+](C)C1 ZINC000617553365 345848444 /nfs/dbraw/zinc/84/84/44/345848444.db2.gz GZNNMTPCDCLHAE-ZDUSSCGKSA-N 2 0 253.390 1.023 10 0 CDAERP COCC[N@H+](C)CCC[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000623356736 346084410 /nfs/dbraw/zinc/08/44/10/346084410.db2.gz DBENXWDAHDCXNI-SNPRPXQTSA-N 2 0 254.418 1.979 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)COCC2CC2)CC1(C)C ZINC000623387098 346120719 /nfs/dbraw/zinc/12/07/19/346120719.db2.gz JXJJVNRYQPIISE-KBPBESRZSA-N 2 0 270.417 1.236 10 0 CDAERP CCCC[C@H](C[NH3+])NC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000418459604 535027026 /nfs/dbraw/zinc/02/70/26/535027026.db2.gz GSXCEMMRUTZQSO-KFWWJZLASA-N 2 0 298.475 1.876 10 0 CDAERP CC(C)[NH2+][C@@H](CO)CCN1CC[NH+](C(C)(C)C)CC1 ZINC000085243494 178988289 /nfs/dbraw/zinc/98/82/89/178988289.db2.gz OHZPWSHSEXQLIW-CQSZACIVSA-N 2 0 271.449 1.152 10 0 CDAERP COCCC[NH+]1CCC(N[C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623396043 346153712 /nfs/dbraw/zinc/15/37/12/346153712.db2.gz HEOLGDHCBPPLSO-MRXNPFEDSA-N 2 0 297.487 1.950 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@H]2[NH3+])CC1 ZINC000085369741 179039579 /nfs/dbraw/zinc/03/95/79/179039579.db2.gz KNLRNYWVRKBJRS-UONOGXRCSA-N 2 0 267.417 1.447 10 0 CDAERP [NH3+][C@@H]1COC[C@@H]1C[NH2+]Cc1cc(Br)cs1 ZINC000085376326 179044504 /nfs/dbraw/zinc/04/45/04/179044504.db2.gz KEUXSHKEHKBUNZ-OIBJUYFYSA-N 2 0 291.214 1.574 10 0 CDAERP CS(=O)(=O)CC[N@@H+]1CCCCC[C@H]1C1CC[NH2+]CC1 ZINC000085403479 179052921 /nfs/dbraw/zinc/05/29/21/179052921.db2.gz VXIYMOGUGOKOIQ-AWEZNQCLSA-N 2 0 288.457 1.275 10 0 CDAERP CC(C)N1CC[C@H](N[C@H]2CC[N@H+](C)C(C)(C)C2)C1=O ZINC000623419915 346412236 /nfs/dbraw/zinc/41/22/36/346412236.db2.gz BHHAXRNXUIHMPG-STQMWFEESA-N 2 0 267.417 1.458 10 0 CDAERP CC(C)Cc1nc2c(n1CC[N@H+](C)C1CC1)CC[NH2+]C2 ZINC000085572179 179097754 /nfs/dbraw/zinc/09/77/54/179097754.db2.gz APNJMOONFQWMOW-UHFFFAOYSA-N 2 0 276.428 1.822 10 0 CDAERP Cc1nc2c(n1[C@H](CC(C)C)C[NH+](C)C)CC[NH2+]C2 ZINC000085572651 179097317 /nfs/dbraw/zinc/09/73/17/179097317.db2.gz SSEVEBUZQIPOEP-CYBMUJFWSA-N 2 0 264.417 1.986 10 0 CDAERP CCc1nc2c(n1CCCC[NH+](C)C)CC[NH2+]C2 ZINC000085572967 179098097 /nfs/dbraw/zinc/09/80/97/179098097.db2.gz KQODYBOACYRWIF-UHFFFAOYSA-N 2 0 250.390 1.433 10 0 CDAERP CC(C)CC[NH+]1CCC(CNC(=O)C2C[NH2+]C2)CC1 ZINC000263348293 362785518 /nfs/dbraw/zinc/78/55/18/362785518.db2.gz ZVXXNLUBSVLVHY-UHFFFAOYSA-N 2 0 267.417 1.080 10 0 CDAERP CC[NH2+][C@H](CCO)CN1CCC([NH+]2CCCCC2)CC1 ZINC000085921883 179200472 /nfs/dbraw/zinc/20/04/72/179200472.db2.gz DEMKRZUYNWHRKQ-OAHLLOKOSA-N 2 0 283.460 1.297 10 0 CDAERP CCC[NH2+][C@@H](CCO)CN1CC[NH+](C2CCCC2)CC1 ZINC000085922668 179201393 /nfs/dbraw/zinc/20/13/93/179201393.db2.gz PBYOZRYXWLDUMM-HNNXBMFYSA-N 2 0 283.460 1.297 10 0 CDAERP CCc1nnc([C@H](C)N[C@H]2CC[N@H+](C)C(C)(C)C2)[nH]1 ZINC000623476785 347417520 /nfs/dbraw/zinc/41/75/20/347417520.db2.gz PAEMMQRFEXGPAI-QWRGUYRKSA-N 2 0 265.405 1.891 10 0 CDAERP CC[C@H](C)[C@@H]1CN([C@@H]2CCC[N@H+](CC)C2)CC[NH2+]1 ZINC000086143088 179238135 /nfs/dbraw/zinc/23/81/35/179238135.db2.gz PINUPRUOANAOMG-ZNMIVQPWSA-N 2 0 253.434 1.791 10 0 CDAERP CCC1(CC)CN(C[C@@H]2CCC[N@H+](C)C2)CC[NH2+]1 ZINC000086145779 179238384 /nfs/dbraw/zinc/23/83/84/179238384.db2.gz OPYHGAXSRRFPEG-CQSZACIVSA-N 2 0 253.434 1.792 10 0 CDAERP CC[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1C1CC[NH+](C)CC1 ZINC000086217791 179249878 /nfs/dbraw/zinc/24/98/78/179249878.db2.gz ASDOYISEQPQVFG-GDBMZVCRSA-N 2 0 265.445 1.933 10 0 CDAERP CC[C@H]1C[NH2+]C(C)(C)CN1C[C@@H]1CC[N@H+](CC)C1 ZINC000086223069 179250508 /nfs/dbraw/zinc/25/05/08/179250508.db2.gz JTPLVOVHKKMNQA-KGLIPLIRSA-N 2 0 253.434 1.791 10 0 CDAERP C[C@H]1C[C@@H](C[N@H+](C)CC(=O)NC(C)(C)C)CC[NH2+]1 ZINC000414684634 365890689 /nfs/dbraw/zinc/89/06/89/365890689.db2.gz WLYNZIFCHJXBLK-RYUDHWBXSA-N 2 0 255.406 1.221 10 0 CDAERP CC[C@H]1C[NH2+]C(C)(C)CN1C[C@@H]1CCCC[N@@H+]1C ZINC000086259382 179258065 /nfs/dbraw/zinc/25/80/65/179258065.db2.gz RJJGJUJCSZTHLZ-KBPBESRZSA-N 2 0 253.434 1.933 10 0 CDAERP C[C@H]1C[NH2+][C@@](C)(C2CC2)CN1C[C@@H]1CCC[N@H+](C)C1 ZINC000086259214 179258740 /nfs/dbraw/zinc/25/87/40/179258740.db2.gz INUFBLDPMYLASF-SQWLQELKSA-N 2 0 265.445 1.791 10 0 CDAERP CC[C@H]1C[N@H+](CC2CC[NH+](C)CC2)[C@@H](CC)CN1 ZINC000086259096 179256865 /nfs/dbraw/zinc/25/68/65/179256865.db2.gz FNPWNONDEVRMSL-GJZGRUSLSA-N 2 0 253.434 1.791 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCn3ccnc3C2)CC1(C)C ZINC000623497014 347604994 /nfs/dbraw/zinc/60/49/94/347604994.db2.gz UAJURPLMLHFBRB-CHWSQXEVSA-N 2 0 262.401 1.660 10 0 CDAERP CC[C@H]1C[NH2+][C@@H](C2CC2)CN1[C@@H](C)CC[NH+](C)C ZINC000086255824 179257317 /nfs/dbraw/zinc/25/73/17/179257317.db2.gz KNWNTFGFBUFKAD-AEGPPILISA-N 2 0 253.434 1.789 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000629536095 362949750 /nfs/dbraw/zinc/94/97/50/362949750.db2.gz DZJCZSYDFYFRPU-SOUVJXGZSA-N 3 0 269.433 1.252 10 0 CDAERP CC[C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@H](C)[NH2+]1 ZINC000620903316 350373343 /nfs/dbraw/zinc/37/33/43/350373343.db2.gz MLJBLQRUMWFLCF-RRFJBIMHSA-N 2 0 281.444 1.850 10 0 CDAERP CCO[C@H]1C[C@H]([NH2+]CCOCCC[NH3+])C12CCCC2 ZINC000629540456 362961708 /nfs/dbraw/zinc/96/17/08/362961708.db2.gz UTJNOUXLRXIPQH-KBPBESRZSA-N 2 0 270.417 1.679 10 0 CDAERP CN(CCC[NH+](C)C)[C@@H](C[NH3+])c1cccc(F)c1 ZINC000111130783 186356068 /nfs/dbraw/zinc/35/60/68/186356068.db2.gz STJOGYUQSBXVOY-AWEZNQCLSA-N 2 0 253.365 1.709 10 0 CDAERP CCO[C@@H]1CN(Cc2cc(O)ccc2Cl)C[C@H]1C[NH3+] ZINC000629549618 362984109 /nfs/dbraw/zinc/98/41/09/362984109.db2.gz SWEVPASKMSIVFA-BXUZGUMPSA-N 2 0 284.787 1.841 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1cccc2cccnc21 ZINC000629570803 363018529 /nfs/dbraw/zinc/01/85/29/363018529.db2.gz MNUNKCVLUHGCCX-UHFFFAOYSA-N 2 0 273.380 1.903 10 0 CDAERP O[C@H](C[NH2+]CCC[C@@H]1CCCC[C@@H]1O)C[NH+]1CCCC1 ZINC000629584229 363038883 /nfs/dbraw/zinc/03/88/83/363038883.db2.gz RSLNCWZBTQKDJU-XHSDSOJGSA-N 2 0 284.444 1.364 10 0 CDAERP C[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)C1CC[NH+](C)CC1 ZINC000624222396 351490567 /nfs/dbraw/zinc/49/05/67/351490567.db2.gz WYTDWKZVUGBWJW-NILFDRSVSA-N 2 0 252.402 1.874 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000659326992 412569295 /nfs/dbraw/zinc/56/92/95/412569295.db2.gz FICCGKXQDZMUBZ-UHFFFAOYSA-N 2 0 281.444 1.742 10 0 CDAERP Cc1cc(C[NH+]2CCC(CC[NH+](C)C)CC2)ncn1 ZINC000292240864 198213706 /nfs/dbraw/zinc/21/37/06/198213706.db2.gz SUCUHYQURHGBFF-UHFFFAOYSA-N 2 0 262.401 1.949 10 0 CDAERP [NH3+][C@@H]1CC[C@H]2CN(c3cc(N4CCCCC4)ncn3)C[C@H]12 ZINC000333931157 363232499 /nfs/dbraw/zinc/23/24/99/363232499.db2.gz ZUCZALGYHXFPRP-MELADBBJSA-N 2 0 287.411 1.640 10 0 CDAERP C[C@H](CNC(=O)N[C@@H]1CCCC[NH2+]C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000333936180 363238590 /nfs/dbraw/zinc/23/85/90/363238590.db2.gz KEPKBVRSLSOIDO-RBSFLKMASA-N 2 0 296.459 1.548 10 0 CDAERP Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCCN(C)C2)c(C)c1 ZINC000644548233 366165966 /nfs/dbraw/zinc/16/59/66/366165966.db2.gz VVLXRUQRPVWCNK-HZPDHXFCSA-N 2 0 292.423 1.727 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)NC1CCC([NH3+])CC1 ZINC000257661983 482743361 /nfs/dbraw/zinc/74/33/61/482743361.db2.gz DMWUWGBGIFRUIE-RUXDESIVSA-N 2 0 267.417 1.637 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000186659880 355925904 /nfs/dbraw/zinc/92/59/04/355925904.db2.gz SOPCPRIJGHETIF-XBFCOCLRSA-N 2 0 261.369 1.191 10 0 CDAERP C[C@H](CC(=O)N[C@H]1C[NH2+]CC[C@H]1C)C1CC[NH2+]CC1 ZINC000186718917 355980875 /nfs/dbraw/zinc/98/08/75/355980875.db2.gz RIJPYLPXLQGJKA-BZPMIXESSA-N 2 0 267.417 1.126 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000643544833 355999968 /nfs/dbraw/zinc/99/99/68/355999968.db2.gz BGHRLSWVGLXUAN-LRGVGNOESA-N 2 0 265.445 1.855 10 0 CDAERP C[C@@H]1C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCCO1 ZINC000211938871 356582005 /nfs/dbraw/zinc/58/20/05/356582005.db2.gz ZZWHXETZNPWRLW-CYBMUJFWSA-N 2 0 260.381 1.943 10 0 CDAERP [NH3+]CCCCCCn1cc([C@@H]2CCCC[NH2+]2)nn1 ZINC000725263074 538455194 /nfs/dbraw/zinc/45/51/94/538455194.db2.gz JJTJETNBDGEQRW-LBPRGKRZSA-N 2 0 251.378 1.612 10 0 CDAERP C[C@H]1C[C@@H](N(C)c2ncnc3[nH]ccc32)CC[N@@H+]1C ZINC000266189593 363510548 /nfs/dbraw/zinc/51/05/48/363510548.db2.gz BFHDZGYHPGDNTL-QWRGUYRKSA-N 2 0 259.357 1.877 10 0 CDAERP COc1cccc([C@H](CNC(=O)CC[C@H](C)[NH3+])[NH+](C)C)c1 ZINC000070314656 356882004 /nfs/dbraw/zinc/88/20/04/356882004.db2.gz SZTOXILJHFJJOD-WFASDCNBSA-N 2 0 293.411 1.542 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000070317051 356883504 /nfs/dbraw/zinc/88/35/04/356883504.db2.gz OFAXMHGWCOQRSV-CYBMUJFWSA-N 2 0 269.433 1.885 10 0 CDAERP CC1CC[NH+](CCCNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000070577573 356900566 /nfs/dbraw/zinc/90/05/66/356900566.db2.gz VGDQKJGNICPMAZ-LSDHHAIUSA-N 2 0 281.444 1.742 10 0 CDAERP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000237868169 482778795 /nfs/dbraw/zinc/77/87/95/482778795.db2.gz XDKZIYAFEAHSPF-MELADBBJSA-N 2 0 267.417 1.542 10 0 CDAERP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000582067748 357484852 /nfs/dbraw/zinc/48/48/52/357484852.db2.gz HHYWUPCMSCTIPS-CVEARBPZSA-N 2 0 262.397 1.620 10 0 CDAERP CN(CC[NH+]1CCCCC1)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000636128013 363584191 /nfs/dbraw/zinc/58/41/91/363584191.db2.gz PTELRAUXGNEVOR-CHWSQXEVSA-N 2 0 276.384 1.458 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000422744485 283318418 /nfs/dbraw/zinc/31/84/18/283318418.db2.gz SZSYJJALABIONI-HUUCEWRRSA-N 3 0 253.434 1.825 10 0 CDAERP CC1CC[NH+](CCN2CC[C@@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000644728263 366427614 /nfs/dbraw/zinc/42/76/14/366427614.db2.gz DIGRPMRLHROAJW-HUUCEWRRSA-N 2 0 251.418 1.354 10 0 CDAERP CC[NH+](CC)CCNC(=O)c1ccccc1CC[NH3+] ZINC000070541464 358965163 /nfs/dbraw/zinc/96/51/63/358965163.db2.gz RNXQUDGJPLTJAO-UHFFFAOYSA-N 2 0 263.385 1.259 10 0 CDAERP C[NH+](C)CCCCNC(=O)c1ccccc1CC[NH3+] ZINC000070542208 358965445 /nfs/dbraw/zinc/96/54/45/358965445.db2.gz TYESXMDJTHHLHL-UHFFFAOYSA-N 2 0 263.385 1.259 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000070552269 358969497 /nfs/dbraw/zinc/96/94/97/358969497.db2.gz AVJQOCDSHCKSBQ-CQSZACIVSA-N 2 0 273.380 1.108 10 0 CDAERP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H]3C[C@H]2CS3)CC1 ZINC000328598335 359073502 /nfs/dbraw/zinc/07/35/02/359073502.db2.gz LLXMJHZHCZELFK-GJZGRUSLSA-N 2 0 283.485 1.592 10 0 CDAERP C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2C[C@]2(C)CC[NH2+]C2)C[C@@H](C)O1 ZINC000261894700 359081363 /nfs/dbraw/zinc/08/13/63/359081363.db2.gz UOVNOKBAADSIDY-WCXIOVBPSA-N 2 0 295.471 1.560 10 0 CDAERP CCCC(=O)N[C@@H]1CCCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261927896 359091540 /nfs/dbraw/zinc/09/15/40/359091540.db2.gz CJIQUQSONUXJNA-HIFRSBDPSA-N 2 0 267.417 1.367 10 0 CDAERP CCC[C@H](C(=O)N1CC[C@H](C[N@H+](C)CC)C1)[NH+](C)C ZINC000162349559 359144292 /nfs/dbraw/zinc/14/42/92/359144292.db2.gz UDGSSMTWIGODMN-ZIAGYGMSSA-N 2 0 269.433 1.517 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CC[NH2+]1 ZINC000262335130 359160106 /nfs/dbraw/zinc/16/01/06/359160106.db2.gz GAMGWOOKZCMYES-SOUVJXGZSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)C[C@H]([NH2+][C@H](C)C1CCC1)C(=O)NCC[NH+](C)C ZINC000347217668 359235930 /nfs/dbraw/zinc/23/59/30/359235930.db2.gz ALQJDQCIZPKRRK-HIFRSBDPSA-N 2 0 283.460 1.857 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113591138 359619110 /nfs/dbraw/zinc/61/91/10/359619110.db2.gz XXZNCWMMFXMWID-ILXRZTDVSA-N 2 0 296.459 1.595 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCN[C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422888137 359667327 /nfs/dbraw/zinc/66/73/27/359667327.db2.gz MEFPOCULMRGASW-YALNPMBYSA-N 2 0 295.471 1.606 10 0 CDAERP Cc1cc(C[C@H](C)[NH2+][C@@H]2CCCCC[C@H]2[NH3+])[nH]n1 ZINC000422991931 359703794 /nfs/dbraw/zinc/70/37/94/359703794.db2.gz QLZQPEODQBRSKY-ZLKJLUDKSA-N 2 0 250.390 1.899 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000422995695 359704893 /nfs/dbraw/zinc/70/48/93/359704893.db2.gz YVWSZCHAGGYHKM-LLLHUVSDSA-N 2 0 274.408 1.916 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](CCCS(C)(=O)=O)CC1 ZINC000336798748 359854762 /nfs/dbraw/zinc/85/47/62/359854762.db2.gz GFVINEMBIDTZEB-UHFFFAOYSA-N 2 0 290.473 1.475 10 0 CDAERP CC(C)[NH+](CCCNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C)C(C)C ZINC000417800057 359862584 /nfs/dbraw/zinc/86/25/84/359862584.db2.gz SHCKSAWDSBWOFK-HUUCEWRRSA-N 2 0 298.475 1.793 10 0 CDAERP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)CC3(O)CCC3)CC[C@H]21 ZINC000528403269 359948691 /nfs/dbraw/zinc/94/86/91/359948691.db2.gz CKVBDPHBASQROF-RBSFLKMASA-N 2 0 282.428 1.069 10 0 CDAERP C[C@]1(CN2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000062910799 360029650 /nfs/dbraw/zinc/02/96/50/360029650.db2.gz YPAGTLYJGXFOES-KRWDZBQOSA-N 2 0 273.424 1.804 10 0 CDAERP Cc1ncc(C[NH2+]CCCC[NH+]2CCOCC2)o1 ZINC000628203399 360254956 /nfs/dbraw/zinc/25/49/56/360254956.db2.gz GMSKEZDZLHAAAL-UHFFFAOYSA-N 2 0 253.346 1.185 10 0 CDAERP CCOC(=O)C1CCC([NH2+][C@@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000261574854 360418568 /nfs/dbraw/zinc/41/85/68/360418568.db2.gz BGHRLXHXTVNAAU-GFJIZPEISA-N 2 0 268.401 1.696 10 0 CDAERP C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]Cc3ccccc32)C[C@@]1(C)C[NH3+] ZINC000515300981 360470704 /nfs/dbraw/zinc/47/07/04/360470704.db2.gz ZUOMUJMPDZMFED-SRCQZFHVSA-N 2 0 287.407 1.317 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000417824556 296017203 /nfs/dbraw/zinc/01/72/03/296017203.db2.gz ADZRQJFORQYTOS-OCCSQVGLSA-N 2 0 261.369 1.287 10 0 CDAERP CC[NH+](CC)CCCNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000626919021 360634075 /nfs/dbraw/zinc/63/40/75/360634075.db2.gz WLUKIOYGVOXKKQ-CHWSQXEVSA-N 2 0 270.421 1.158 10 0 CDAERP COc1cccc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c1OC ZINC000635000198 360640011 /nfs/dbraw/zinc/64/00/11/360640011.db2.gz JDNDDFMUULSUCC-YPMHNXCESA-N 2 0 264.369 1.730 10 0 CDAERP C[C@@H]1CCC[C@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000335640835 360682862 /nfs/dbraw/zinc/68/28/62/360682862.db2.gz ATVCRQJNWKNTRF-PRLABOORSA-N 2 0 265.445 1.981 10 0 CDAERP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000626947867 360686375 /nfs/dbraw/zinc/68/63/75/360686375.db2.gz ITXCPKHHLXNFGO-NIFZNCRKSA-N 2 0 296.459 1.402 10 0 CDAERP CO[C@H](C)C[NH2+][C@@H]1CCN(CCc2ccccc2)C1 ZINC000191204335 360761758 /nfs/dbraw/zinc/76/17/58/360761758.db2.gz LDKJWJBTYRQTRK-GDBMZVCRSA-N 2 0 262.397 1.928 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000166351365 360876115 /nfs/dbraw/zinc/87/61/15/360876115.db2.gz GHJZZFRRXMCTHA-MCIONIFRSA-N 2 0 267.417 1.350 10 0 CDAERP C[C@H]1C[C@H]([NH2+]CC(O)(C2CC2)C2CC2)CC[N@@H+]1C ZINC000639321505 361091927 /nfs/dbraw/zinc/09/19/27/361091927.db2.gz NSCFUOOTTSSIQG-SMDDNHRTSA-N 2 0 252.402 1.610 10 0 CDAERP C[NH+](C)C1CCN(C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC000338906603 361123161 /nfs/dbraw/zinc/12/31/61/361123161.db2.gz WTFWWPGNYJEYFK-MRXNPFEDSA-N 2 0 280.387 1.755 10 0 CDAERP COc1cccc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000339071011 361259454 /nfs/dbraw/zinc/25/94/54/361259454.db2.gz ONIHYFMUTLLCIG-LSDHHAIUSA-N 2 0 275.396 1.849 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000417940085 361424637 /nfs/dbraw/zinc/42/46/37/361424637.db2.gz LDVDJBCDNKBYGZ-VIRABCJISA-N 2 0 290.411 1.467 10 0 CDAERP CN(CC[NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000417938347 361425800 /nfs/dbraw/zinc/42/58/00/361425800.db2.gz JMQFXNVKDCKQAU-KBPBESRZSA-N 2 0 276.384 1.032 10 0 CDAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000262862430 364057936 /nfs/dbraw/zinc/05/79/36/364057936.db2.gz UGJJHFYJLJVBHX-SWLSCSKDSA-N 2 0 275.396 1.476 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+]2CCCC[C@H]2C)C1 ZINC000572661041 364094683 /nfs/dbraw/zinc/09/46/83/364094683.db2.gz ZRINQKWTMVJGCU-ZIAGYGMSSA-N 2 0 267.417 1.319 10 0 CDAERP O=C([C@@H]1C[NH2+]Cc2ccccc21)N1CCC2(CC[NH2+]2)CC1 ZINC000335405410 296055901 /nfs/dbraw/zinc/05/59/01/296055901.db2.gz DHTOEQWUZZZEIZ-OAHLLOKOSA-N 2 0 285.391 1.228 10 0 CDAERP C[C@H]([NH3+])CCC(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000248864038 364310547 /nfs/dbraw/zinc/31/05/47/364310547.db2.gz MSUXSBJQHZNECX-MELADBBJSA-N 2 0 285.432 1.119 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)C12CCOCC2 ZINC000186330282 364552842 /nfs/dbraw/zinc/55/28/42/364552842.db2.gz ZNCPJMFBZIJMGJ-HRCADAONSA-N 2 0 296.455 1.892 10 0 CDAERP [NH3+]CC[C@@H]([NH3+])c1cc(I)ccc1F ZINC000307012404 364985070 /nfs/dbraw/zinc/98/50/70/364985070.db2.gz MIWOIHHABDRTKH-SECBINFHSA-N 2 0 294.111 1.779 10 0 CDAERP Cc1nccn1CCC[N@@H+]1CCCC[C@H]1C1(O)CC1 ZINC000566664382 370786075 /nfs/dbraw/zinc/78/60/75/370786075.db2.gz QZZUWBRFHAROLR-AWEZNQCLSA-N 2 0 263.385 1.961 10 0 CDAERP CC[N@@H+]1CC[C@H](CN[C@@H]2CC[NH+](C)[C@@H]3CCC[C@H]32)C1 ZINC000353441061 365208748 /nfs/dbraw/zinc/20/87/48/365208748.db2.gz LPFZJLYBMADNQA-QKPAOTATSA-N 2 0 265.445 1.791 10 0 CDAERP CC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)[C@H](C)CO ZINC000354428362 365470599 /nfs/dbraw/zinc/47/05/99/365470599.db2.gz KYSOZEHCCFDIAR-GFCCVEGCSA-N 2 0 274.368 1.778 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000626960358 366935104 /nfs/dbraw/zinc/93/51/04/366935104.db2.gz QIYINZADEYXRMH-UKRRQHHQSA-N 2 0 296.459 1.691 10 0 CDAERP Cn1cnc(CC[NH2+][C@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000414130388 241080866 /nfs/dbraw/zinc/08/08/66/241080866.db2.gz WSWHBOUYVSLVHD-SOUVJXGZSA-N 2 0 262.401 1.425 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000414699232 241335291 /nfs/dbraw/zinc/33/52/91/241335291.db2.gz DPSKGJJOQWEZFE-INIZCTEOSA-N 2 0 297.487 1.937 10 0 CDAERP CC(C)C[C@@H]([NH3+])CN1CCc2ccccc2[C@H]1CO ZINC000414707976 241342421 /nfs/dbraw/zinc/34/24/21/241342421.db2.gz PRKAGBFOQKPPCR-GDBMZVCRSA-N 2 0 262.397 1.952 10 0 CDAERP CCC(C)(CC)[NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414711451 241346664 /nfs/dbraw/zinc/34/66/64/241346664.db2.gz RNJLRXQFOJORAM-GFCCVEGCSA-N 2 0 255.406 1.352 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)C[NH2+]1 ZINC000626973184 367116079 /nfs/dbraw/zinc/11/60/79/367116079.db2.gz RKZCOURIRPJPBA-QPSCCSFWSA-N 2 0 296.459 1.689 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000626965920 367101450 /nfs/dbraw/zinc/10/14/50/367101450.db2.gz OROWOAMJXFJHEI-CWRNSKLLSA-N 2 0 296.459 1.358 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000627037644 367282561 /nfs/dbraw/zinc/28/25/61/367282561.db2.gz AEZHDBCRSIOXIH-RWMBFGLXSA-N 2 0 270.421 1.155 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000627041057 367284818 /nfs/dbraw/zinc/28/48/18/367284818.db2.gz HAJNBNUVZYXUCX-HZSPNIEDSA-N 2 0 284.448 1.547 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627041894 367286159 /nfs/dbraw/zinc/28/61/59/367286159.db2.gz RWTWCXCHRDLAMF-UONOGXRCSA-N 2 0 296.459 1.691 10 0 CDAERP C[C@]1(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)CC[NH2+]C1 ZINC000261722010 291380776 /nfs/dbraw/zinc/38/07/76/291380776.db2.gz FYSISATXXJVZAY-YOEHRIQHSA-N 2 0 299.422 1.908 10 0 CDAERP C[C@H]1CC[C@H](NC(=O)NC2CCC([NH+](C)C)CC2)C[NH2+]1 ZINC000627106681 367452855 /nfs/dbraw/zinc/45/28/55/367452855.db2.gz SYRZNHXDISNQQI-AHPWVWPOSA-N 2 0 282.432 1.299 10 0 CDAERP Cc1ccncc1C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000280819192 367549990 /nfs/dbraw/zinc/54/99/90/367549990.db2.gz IRLWJYDRZSJZLD-MRXNPFEDSA-N 2 0 277.412 1.717 10 0 CDAERP C[C@@H](NC(=O)NC[C@@H](c1cccs1)[NH+](C)C)[C@H](C)[NH3+] ZINC000416439460 242006803 /nfs/dbraw/zinc/00/68/03/242006803.db2.gz QFGLBWORCHMMLZ-AXFHLTTASA-N 2 0 284.429 1.386 10 0 CDAERP C[NH+]1CCC(CCNC(=O)[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000234320835 367608360 /nfs/dbraw/zinc/60/83/60/367608360.db2.gz LSQUPIOGQJWZLU-AWEZNQCLSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000627168029 367604646 /nfs/dbraw/zinc/60/46/46/367604646.db2.gz RFCSBXCZCRVTNO-UONOGXRCSA-N 2 0 282.432 1.110 10 0 CDAERP C[C@@H](NC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H](C)[NH3+] ZINC000417028873 242279726 /nfs/dbraw/zinc/27/97/26/242279726.db2.gz CAGXZZXDXIBGCJ-LJISPDSOSA-N 2 0 298.475 1.779 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000417036401 242284456 /nfs/dbraw/zinc/28/44/56/242284456.db2.gz TYROGMGPUMFXOA-GJZGRUSLSA-N 2 0 296.459 1.630 10 0 CDAERP C[C@H]1CC[C@H](NC(=O)N2CC[NH+](C3CCCC3)CC2)C[NH2+]1 ZINC000627195095 367680877 /nfs/dbraw/zinc/68/08/77/367680877.db2.gz JKHVJONDEIGPPQ-KBPBESRZSA-N 2 0 294.443 1.397 10 0 CDAERP CC(C)[N@@H+]1CCCN(C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627196385 367683793 /nfs/dbraw/zinc/68/37/93/367683793.db2.gz ITYPLLGMNUGKNX-UONOGXRCSA-N 2 0 282.432 1.253 10 0 CDAERP C[C@H]1CC[C@H](NC(=O)N(C)CC[NH+]2CCCCC2)C[NH2+]1 ZINC000627209197 367706913 /nfs/dbraw/zinc/70/69/13/367706913.db2.gz DNZOUTBZQDRSFH-KBPBESRZSA-N 2 0 282.432 1.254 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N2CCC(C[NH+](C)C)CC2)C[NH2+]1 ZINC000627197077 367686860 /nfs/dbraw/zinc/68/68/60/367686860.db2.gz YDHFIRJGKOLSBK-OCCSQVGLSA-N 2 0 282.432 1.110 10 0 CDAERP C[C@@H](C[C@H]1CCC[NH2+]1)NCCC[NH2+]Cc1cccnc1 ZINC000414861024 367788708 /nfs/dbraw/zinc/78/87/08/367788708.db2.gz RGSHMGPYCCQLPP-GOEBONIOSA-N 3 0 276.428 1.682 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000627237424 367799912 /nfs/dbraw/zinc/79/99/12/367799912.db2.gz NFXVSTNQCSJZDV-DZGCQCFKSA-N 2 0 296.459 1.500 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CCC[NH+](C)C1 ZINC000360072508 368101523 /nfs/dbraw/zinc/10/15/23/368101523.db2.gz AHMFXWUBJJUKGK-HUUCEWRRSA-N 2 0 281.444 1.661 10 0 CDAERP CC(C)[C@@H]([NH3+])CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000638104007 368382757 /nfs/dbraw/zinc/38/27/57/368382757.db2.gz KKCPFMFQBCOURO-ILXRZTDVSA-N 2 0 296.459 1.626 10 0 CDAERP CC(C)C[C@@H](C[NH3+])NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000418411467 243045242 /nfs/dbraw/zinc/04/52/42/243045242.db2.gz FTEBUVLOQJKPKE-UONOGXRCSA-N 2 0 280.416 1.016 10 0 CDAERP CC(C)[C@H]([NH3+])CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000418415058 243049278 /nfs/dbraw/zinc/04/92/78/243049278.db2.gz UCVINZMEGMLGLH-SMDDNHRTSA-N 2 0 278.400 1.489 10 0 CDAERP CC(C)N(CC[NH+](C)C)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418420931 243056194 /nfs/dbraw/zinc/05/61/94/243056194.db2.gz BPPQRMPIBJGIKC-HNNXBMFYSA-N 2 0 292.427 1.668 10 0 CDAERP CC1(NC(=O)NC[C@@H]([NH3+])c2ccccc2)CC[NH2+]CC1 ZINC000418454588 243098249 /nfs/dbraw/zinc/09/82/49/243098249.db2.gz QKTPMFAINDVWKG-CYBMUJFWSA-N 2 0 276.384 1.128 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1C[NH+](C(C)C)C[C@@H]1C ZINC000122636145 370921835 /nfs/dbraw/zinc/92/18/35/370921835.db2.gz QVOUQUBXKWAWAD-RRFJBIMHSA-N 2 0 296.459 1.499 10 0 CDAERP CC(C)=CCC[C@@H](C)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000567228480 370922694 /nfs/dbraw/zinc/92/26/94/370922694.db2.gz VPJVRQZZBSKCAX-HZPDHXFCSA-N 2 0 283.460 1.319 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCCCF)CC1 ZINC000375714238 370927958 /nfs/dbraw/zinc/92/79/58/370927958.db2.gz KSKNHNISEOKERU-OAHLLOKOSA-N 2 0 271.424 1.838 10 0 CDAERP CC[N@H+](CCNC(=O)N(C)CCC[NH+](C)C)C(C)C ZINC000542751106 368815535 /nfs/dbraw/zinc/81/55/35/368815535.db2.gz IICSSMRVPUYBNW-UHFFFAOYSA-N 2 0 272.437 1.310 10 0 CDAERP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N(C)CCC[NH+](C)C ZINC000543669454 368946534 /nfs/dbraw/zinc/94/65/34/368946534.db2.gz SRLXDQPMTFKFSP-JSGCOSHPSA-N 2 0 282.432 1.062 10 0 CDAERP CC(C)CC[C@@H]([NH3+])C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000638275761 369083505 /nfs/dbraw/zinc/08/35/05/369083505.db2.gz OPMRHTGPSWRCAE-QWHCGFSZSA-N 2 0 255.406 1.303 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC[C@H]1C[NH+](C)C ZINC000362506993 369104911 /nfs/dbraw/zinc/10/49/11/369104911.db2.gz NZSUEDFGCOLSTJ-MJBXVCDLSA-N 2 0 267.417 1.412 10 0 CDAERP C[NH+]1CCC(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000367591019 369193827 /nfs/dbraw/zinc/19/38/27/369193827.db2.gz XPHCEIKEJWKQPA-BZUAXINKSA-N 3 0 265.445 1.791 10 0 CDAERP c1cnn(C2CC([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)c1 ZINC000638376433 369567989 /nfs/dbraw/zinc/56/79/89/369567989.db2.gz KOPKKVMSBJDTAD-FEWQNLEASA-N 2 0 260.385 1.803 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2[C@H](C)C[C@@H]2C)CC1 ZINC000547769978 369635872 /nfs/dbraw/zinc/63/58/72/369635872.db2.gz KXBYMZVHAZZNQW-BETUJISGSA-N 2 0 267.417 1.458 10 0 CDAERP C[C@@H](C[NH+]1CCC(n2ccnc2)CC1)CS(C)(=O)=O ZINC000119089175 369970046 /nfs/dbraw/zinc/97/00/46/369970046.db2.gz POLJBXJLUJWWQQ-LBPRGKRZSA-N 2 0 285.413 1.201 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@@H](C)Cn2cccn2)CC1 ZINC000138403889 370002309 /nfs/dbraw/zinc/00/23/09/370002309.db2.gz ZHPYZRSCQXAUFM-AWEZNQCLSA-N 2 0 264.417 1.983 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C[C@H]1CCC[NH2+]1 ZINC000251649763 370201602 /nfs/dbraw/zinc/20/16/02/370201602.db2.gz GIHQQIQUKFQWPL-MGPQQGTHSA-N 2 0 265.401 1.214 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000564938015 370304929 /nfs/dbraw/zinc/30/49/29/370304929.db2.gz RMCRZAHLASUZRX-SDDRHHMPSA-N 2 0 258.410 1.142 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000418231050 370310517 /nfs/dbraw/zinc/31/05/17/370310517.db2.gz FPAMVHXVPMAARJ-SRVKXCTJSA-N 2 0 291.399 1.084 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])CC1 ZINC000422743836 245205172 /nfs/dbraw/zinc/20/51/72/245205172.db2.gz RYPMMXSANNUIMY-FVQBIDKESA-N 3 0 283.460 1.450 10 0 CDAERP COc1ccc(OC)c([C@H](C)N[C@@H](C)C2C[NH2+]C2)c1 ZINC000422774624 245240670 /nfs/dbraw/zinc/24/06/70/245240670.db2.gz XUEXEWBYGVPOCC-QWRGUYRKSA-N 2 0 264.369 1.962 10 0 CDAERP CC(C)[NH+](CCN[C@H](C1CC1)[C@H]1C[NH2+]CCO1)C(C)C ZINC000422767716 245232704 /nfs/dbraw/zinc/23/27/04/245232704.db2.gz YUKLCGZQQKUICH-HZPDHXFCSA-N 2 0 283.460 1.462 10 0 CDAERP COC(=O)c1ccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000414964982 371103355 /nfs/dbraw/zinc/10/33/55/371103355.db2.gz VEVQONRKTKNBKC-FZMZJTMJSA-N 2 0 262.353 1.561 10 0 CDAERP C[C@@H]([NH2+]CCn1cncn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272533607 371112013 /nfs/dbraw/zinc/11/20/13/371112013.db2.gz RBGJHMQYTKIJEH-NVXWUHKLSA-N 2 0 299.422 1.778 10 0 CDAERP C[C@H](C[C@H]1COCC[NH2+]1)NCC[N@@H+]1CCCC[C@H]1C ZINC000422857462 245341477 /nfs/dbraw/zinc/34/14/77/245341477.db2.gz HRJUZTNKXRPXNB-KFWWJZLASA-N 2 0 269.433 1.217 10 0 CDAERP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2CCCOC2)CC[NH2+]CC1 ZINC000422864035 245349003 /nfs/dbraw/zinc/34/90/03/245349003.db2.gz SZQFSGUTJHMWPS-CHWSQXEVSA-N 2 0 284.400 1.076 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000422876128 245361998 /nfs/dbraw/zinc/36/19/98/245361998.db2.gz PVHMSASGZNYZQG-DYEKYZERSA-N 2 0 294.830 1.901 10 0 CDAERP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCCC23CC3)CC1 ZINC000572976679 371369709 /nfs/dbraw/zinc/36/97/09/371369709.db2.gz WYOMMFNSEGNAGY-OAHLLOKOSA-N 2 0 265.445 1.935 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000573722992 371638001 /nfs/dbraw/zinc/63/80/01/371638001.db2.gz PSRHYUPENHTPIU-CABCVRRESA-N 2 0 281.444 1.899 10 0 CDAERP COc1ccc([C@H](C[NH3+])CN2CC[NH2+]C[C@@H]2C(F)F)cc1 ZINC000575181775 371770822 /nfs/dbraw/zinc/77/08/22/371770822.db2.gz ZHHQREGSYRQEME-TZMCWYRMSA-N 2 0 299.365 1.276 10 0 CDAERP [NH3+]C1(CNC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CCCCCC1 ZINC000580540234 371984263 /nfs/dbraw/zinc/98/42/63/371984263.db2.gz RXCORHQDLJGPPP-KGLIPLIRSA-N 2 0 294.443 1.432 10 0 CDAERP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCCC23CC3)CC1 ZINC000580658523 372064117 /nfs/dbraw/zinc/06/41/17/372064117.db2.gz AZZGKJWNBZREHO-OAHLLOKOSA-N 2 0 265.445 1.935 10 0 CDAERP CC1CC[NH+](CCNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000171900901 372228459 /nfs/dbraw/zinc/22/84/59/372228459.db2.gz WZKLCMDCTUTOSJ-HNNXBMFYSA-N 2 0 294.443 1.208 10 0 CDAERP [NH3+]C[C@H](NC(=O)N1CCC2(CC[NH2+]2)CC1)C1CCCC1 ZINC000333246560 205148904 /nfs/dbraw/zinc/14/89/04/205148904.db2.gz FVOJWCFLFICJTC-ZDUSSCGKSA-N 2 0 280.416 1.041 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)C12CCC2 ZINC000181560111 373014032 /nfs/dbraw/zinc/01/40/32/373014032.db2.gz QZZHVFOSSRPCCD-HRCADAONSA-N 2 0 296.455 1.771 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000341055437 373251311 /nfs/dbraw/zinc/25/13/11/373251311.db2.gz QYCBZRADAYTZPV-HZSPNIEDSA-N 2 0 284.448 1.451 10 0 CDAERP C[C@H]([NH2+]CC[C@H](O)C(F)F)C1CC[NH+](C)CC1 ZINC000631697560 373580189 /nfs/dbraw/zinc/58/01/89/373580189.db2.gz NEYIJROVLUIAPZ-ONGXEEELSA-N 2 0 250.333 1.322 10 0 CDAERP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc3oc(=O)n(C)c3c2)C1 ZINC000631823830 373709080 /nfs/dbraw/zinc/70/90/80/373709080.db2.gz OSMDANHQUMBZPC-PWSUYJOCSA-N 2 0 275.352 1.301 10 0 CDAERP CCC1([NH+]2CCCC2)CCN(C[C@@](C)(O)C[NH2+]C)CC1 ZINC000631837232 373752719 /nfs/dbraw/zinc/75/27/19/373752719.db2.gz PNGORSOTVBNQQG-HNNXBMFYSA-N 2 0 283.460 1.297 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCN(C2CCCCC2)C1=O ZINC000643467727 373966855 /nfs/dbraw/zinc/96/68/55/373966855.db2.gz XIXLFTDLQPSSST-ZFWWWQNUSA-N 2 0 297.443 1.264 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCN1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000640044725 374087656 /nfs/dbraw/zinc/08/76/56/374087656.db2.gz ZVMUWHFPLQTQCG-QJPTWQEYSA-N 2 0 280.334 1.573 10 0 CDAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000418544686 374407388 /nfs/dbraw/zinc/40/73/88/374407388.db2.gz HMSVOYUSEVXJNQ-LJISPDSOSA-N 2 0 294.443 1.253 10 0 CDAERP CC(C)[C@@H](CNC(=O)NC/C=C\C[NH3+])[NH+]1CCC(C)CC1 ZINC000669279340 541936828 /nfs/dbraw/zinc/93/68/28/541936828.db2.gz AVENYBWADPNHEM-FOSCPCJNSA-N 2 0 296.459 1.557 10 0 CDAERP C[C@@H](C[NH+](C)C)NC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000342912768 374725138 /nfs/dbraw/zinc/72/51/38/374725138.db2.gz RLPDMYRHLGEZJY-QWHCGFSZSA-N 2 0 270.421 1.110 10 0 CDAERP CCCC1CCC([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CC1 ZINC000580416541 374779799 /nfs/dbraw/zinc/77/97/99/374779799.db2.gz KGSCNQNFOIQTIB-OFLPRAFFSA-N 2 0 297.487 1.543 10 0 CDAERP C([C@@H]1CCCO1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000127159788 375046972 /nfs/dbraw/zinc/04/69/72/375046972.db2.gz GKVAQPMPXVNCMR-HNNXBMFYSA-N 2 0 252.402 1.973 10 0 CDAERP CC(C)[C@@H](CNC(=O)N[C@@H](C)[C@H](C)[NH3+])[NH+]1CCC(C)CC1 ZINC000417011717 375716209 /nfs/dbraw/zinc/71/62/09/375716209.db2.gz STTOKUHRQLAXJN-SOUVJXGZSA-N 2 0 298.475 1.778 10 0 CDAERP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000417131840 375727897 /nfs/dbraw/zinc/72/78/97/375727897.db2.gz CBWPKSIEOFZNOW-BARDWOONSA-N 2 0 292.427 1.149 10 0 CDAERP C[C@H](O)CCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062034430 375868062 /nfs/dbraw/zinc/86/80/62/375868062.db2.gz XUIPKZIQXZFYAK-AWEZNQCLSA-N 2 0 254.418 1.955 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)NCCC[NH2+]C2CC2)CC1 ZINC000417384285 376032266 /nfs/dbraw/zinc/03/22/66/376032266.db2.gz CJUUVKRRTHDTLP-UHFFFAOYSA-N 2 0 296.459 1.550 10 0 CDAERP CC[NH+](CC)CCCN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420356374 376334344 /nfs/dbraw/zinc/33/43/44/376334344.db2.gz CRYLDVLMYQGJJV-OAHLLOKOSA-N 3 0 253.434 1.794 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@@H]2C[C@@H](C)CC[NH2+]2)CC1 ZINC000638981319 376339663 /nfs/dbraw/zinc/33/96/63/376339663.db2.gz RBMBBTVYFHCDQK-KBPBESRZSA-N 2 0 281.444 1.707 10 0 CDAERP CC[NH2+]CC1CC[NH+](C[C@H]2CCc3ncnn32)CC1 ZINC000631822348 376645198 /nfs/dbraw/zinc/64/51/98/376645198.db2.gz ZZXYZHUGYZSMRW-CYBMUJFWSA-N 2 0 263.389 1.087 10 0 CDAERP CCC1([NH+](C)C)CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000631866097 376748302 /nfs/dbraw/zinc/74/83/02/376748302.db2.gz TZGPAFZLALRGGV-CQSZACIVSA-N 2 0 253.434 1.792 10 0 CDAERP CN(C)c1ncc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)n1C ZINC000425380887 376984954 /nfs/dbraw/zinc/98/49/54/376984954.db2.gz LUFORLOPXVIMGV-OAHLLOKOSA-N 2 0 278.400 1.489 10 0 CDAERP C(CN1CC[N@@H+]2CCCC[C@@H]2C1)[C@H]1CCC[NH2+]C1 ZINC000250797886 377110798 /nfs/dbraw/zinc/11/07/98/377110798.db2.gz AVEBJEYBPVCQML-HUUCEWRRSA-N 2 0 251.418 1.546 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000417444726 377151739 /nfs/dbraw/zinc/15/17/39/377151739.db2.gz DLPPTVBRBDJQCQ-ZBFHGGJFSA-N 2 0 296.459 1.502 10 0 CDAERP COC(=O)CC[N@H+](C[C@H]1CCCO1)C[C@]1(C)CC[NH2+]C1 ZINC000574916854 295076597 /nfs/dbraw/zinc/07/65/97/295076597.db2.gz ITWWTUNNEXGEKP-UKRRQHHQSA-N 2 0 284.400 1.030 10 0 CDAERP CCCCOC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000248659445 377298911 /nfs/dbraw/zinc/29/89/11/377298911.db2.gz VCXSEYMLJGBKJZ-HOTGVXAUSA-N 2 0 284.444 1.582 10 0 CDAERP C[C@H]1C[N@H+](CCCC2CC[NH2+]CC2)C[C@H]1N(C)C ZINC000251928001 483088966 /nfs/dbraw/zinc/08/89/66/483088966.db2.gz YMOFJFVJIIQGDD-DZGCQCFKSA-N 2 0 253.434 1.648 10 0 CDAERP CC[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@H]1CC)c1ncc[nH]1 ZINC000632509894 377547550 /nfs/dbraw/zinc/54/75/50/377547550.db2.gz RISYVKDECQXGOM-WOPDTQHZSA-N 2 0 264.373 1.707 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]CC=C(C)C)CC[N@@H+]1C ZINC001662225658 1172510947 /nfs/dbraw/zinc/51/09/47/1172510947.db2.gz VDEZTKDCCKQAAY-SOUVJXGZSA-N 2 0 281.444 1.777 10 0 CDAERP C[C@@H](C(=O)NC1CCCCC1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000334978869 377747580 /nfs/dbraw/zinc/74/75/80/377747580.db2.gz CIOVKJLQBAOONA-YOEHRIQHSA-N 2 0 293.455 1.899 10 0 CDAERP C[C@H](O)C[NH+]1CCC(C[NH2+]Cc2cccnc2)CC1 ZINC000069349824 378019562 /nfs/dbraw/zinc/01/95/62/378019562.db2.gz LMFFCUURWLZQQA-ZDUSSCGKSA-N 2 0 263.385 1.264 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000136205182 378320791 /nfs/dbraw/zinc/32/07/91/378320791.db2.gz ORYDUWOWRKYZEF-JSGCOSHPSA-N 2 0 253.390 1.119 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC[C@@H]2CCC[NH+](C)C2)CC[N@@H+]1C ZINC000633416539 378419430 /nfs/dbraw/zinc/41/94/30/378419430.db2.gz KCQNEEJJGRYGNZ-SOUVJXGZSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+]3CCCC[C@@H]23)CC[N@@H+]1C ZINC000633594396 378575824 /nfs/dbraw/zinc/57/58/24/378575824.db2.gz REXMUOBQSDPIRE-JONQDZQNSA-N 2 0 293.455 1.850 10 0 CDAERP COC[C@H](CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1)OC ZINC000657555974 412891507 /nfs/dbraw/zinc/89/15/07/412891507.db2.gz ZAHUQPFVSSKGKL-HNNXBMFYSA-N 2 0 290.367 1.408 10 0 CDAERP CCn1cncc1CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000417770266 378677633 /nfs/dbraw/zinc/67/76/33/378677633.db2.gz CAYHCEFPFGBPJC-CHWSQXEVSA-N 2 0 250.390 1.818 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000655909315 412914127 /nfs/dbraw/zinc/91/41/27/412914127.db2.gz GOTAHKZEBKGXOE-WGRBQBNCSA-N 2 0 288.395 1.752 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000334594210 379485298 /nfs/dbraw/zinc/48/52/98/379485298.db2.gz ZBFSPCDDNGZBKH-OLZOCXBDSA-N 2 0 276.384 1.504 10 0 CDAERP COCCN1CC[C@@H]([NH2+]CCc2cnc(C3CC3)nc2)C1 ZINC000344322143 379554112 /nfs/dbraw/zinc/55/41/12/379554112.db2.gz GUFFEOQKODYDAJ-OAHLLOKOSA-N 2 0 290.411 1.207 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000417000555 284802103 /nfs/dbraw/zinc/80/21/03/284802103.db2.gz CZNBYHVADYDTJX-XQQFMLRXSA-N 2 0 270.421 1.109 10 0 CDAERP C[NH+](C)Cc1ccc(C(=O)N2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000268232235 190388059 /nfs/dbraw/zinc/38/80/59/190388059.db2.gz YLQGURKNYAVCHT-MRXNPFEDSA-N 2 0 289.423 1.914 10 0 CDAERP CC[C@H]([NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)[C@H](C)O ZINC000449540199 250896794 /nfs/dbraw/zinc/89/67/94/250896794.db2.gz JHEIHWKMTVQGMH-WFASDCNBSA-N 2 0 274.368 1.825 10 0 CDAERP CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001662679745 1172579081 /nfs/dbraw/zinc/57/90/81/1172579081.db2.gz AMMOZXCDBSDRHO-ZIAGYGMSSA-N 2 0 269.433 1.421 10 0 CDAERP CCCN(CCC[NH+](C)C)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655929775 412937298 /nfs/dbraw/zinc/93/72/98/412937298.db2.gz WZQJLQJQUANHRS-SNVBAGLBSA-N 2 0 298.353 1.249 10 0 CDAERP C[NH+](C)[C@H]1CCCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655929337 412939156 /nfs/dbraw/zinc/93/91/56/412939156.db2.gz SKVKBHRUWHPNJZ-UWVGGRQHSA-N 2 0 296.337 1.002 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000662387132 412946016 /nfs/dbraw/zinc/94/60/16/412946016.db2.gz BTDHLDDFORTDJS-GJZGRUSLSA-N 2 0 299.459 1.510 10 0 CDAERP COC(=O)C1(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)CC1 ZINC000450452920 251290984 /nfs/dbraw/zinc/29/09/84/251290984.db2.gz NNTKSXCNJBJOTP-CQSZACIVSA-N 2 0 280.412 1.603 10 0 CDAERP C1CC2(C1)C[C@@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)CO2 ZINC000657630256 412951941 /nfs/dbraw/zinc/95/19/41/412951941.db2.gz AFGOQDCMYOEXSS-BFHYXJOUSA-N 2 0 250.386 1.914 10 0 CDAERP CN(CC1C[NH+](C)C1)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000660248458 412962799 /nfs/dbraw/zinc/96/27/99/412962799.db2.gz HCBUUACEAAAUJX-UHFFFAOYSA-N 2 0 296.459 1.454 10 0 CDAERP CO[C@@H](C[NH+]1CCC2(CCC[N@@H+]2C)CC1)[C@H]1CCOC1 ZINC000660166705 412975536 /nfs/dbraw/zinc/97/55/36/412975536.db2.gz DHTXIRZBAFIWRE-GJZGRUSLSA-N 2 0 282.428 1.598 10 0 CDAERP CCC(C)(C)[NH+]1CCN(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000655965392 412976598 /nfs/dbraw/zinc/97/65/98/412976598.db2.gz CQAYMSQEKRFGCT-KGLIPLIRSA-N 2 0 296.459 1.500 10 0 CDAERP CCC[C@H]1C[NH2+]CCN1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655971049 412982871 /nfs/dbraw/zinc/98/28/71/412982871.db2.gz QTSZUVGBZFBUGO-MELADBBJSA-N 2 0 282.432 1.110 10 0 CDAERP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662419417 412994546 /nfs/dbraw/zinc/99/45/46/412994546.db2.gz HSFHRWWTSPQHAP-RYUDHWBXSA-N 2 0 265.401 1.247 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001663336283 1172674102 /nfs/dbraw/zinc/67/41/02/1172674102.db2.gz YZIFLQOECGGEMV-STQMWFEESA-N 2 0 255.406 1.032 10 0 CDAERP CC1(C)C[NH2+][C@H]1C(=O)N(CC[NH3+])CCc1ccccc1 ZINC000648132479 390161947 /nfs/dbraw/zinc/16/19/47/390161947.db2.gz VKGZJFRQEQBPTG-AWEZNQCLSA-N 2 0 275.396 1.014 10 0 CDAERP CC[C@@H](CO)[N@H+](C)C[C@@H](O)CN(C)Cc1ccccc1 ZINC000647026129 390364476 /nfs/dbraw/zinc/36/44/76/390364476.db2.gz QCXLJNQCTDEUKE-HOTGVXAUSA-N 2 0 280.412 1.182 10 0 CDAERP C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC000646927208 390305943 /nfs/dbraw/zinc/30/59/43/390305943.db2.gz GKMGDYWKTLKBNH-BXUZGUMPSA-N 2 0 270.336 1.110 10 0 CDAERP COC[C@H](C)[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647249192 390657352 /nfs/dbraw/zinc/65/73/52/390657352.db2.gz IBQXJSLNZJPGBG-IMJJTQAJSA-N 2 0 262.397 1.956 10 0 CDAERP Cc1c(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cnn1C ZINC000367537045 390859484 /nfs/dbraw/zinc/85/94/84/390859484.db2.gz BFORDQDTUKMEKP-RBSFLKMASA-N 2 0 262.401 1.691 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000237509497 390845374 /nfs/dbraw/zinc/84/53/74/390845374.db2.gz JNCICQRMUKRTPN-QWHCGFSZSA-N 2 0 285.457 1.072 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@@H](C[NH3+])C1CC1)[NH+]1CCCCC1 ZINC000159193708 390939052 /nfs/dbraw/zinc/93/90/52/390939052.db2.gz DXNLRHLPGSZTQH-KBPBESRZSA-N 2 0 267.417 1.350 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@@H]2CCC[NH+](C)C2)C1 ZINC000520605543 391014740 /nfs/dbraw/zinc/01/47/40/391014740.db2.gz BGPMFLSKKBVVFE-ZIAGYGMSSA-N 2 0 267.417 1.128 10 0 CDAERP C[C@H](CCC[NH3+])NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000417946844 391017262 /nfs/dbraw/zinc/01/72/62/391017262.db2.gz ZQCQCLAEQLITSM-IYXRBSQSSA-N 2 0 284.448 1.533 10 0 CDAERP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H](c3ccnc(N)n3)C2)CC[NH2+]1 ZINC000415109891 391024761 /nfs/dbraw/zinc/02/47/61/391024761.db2.gz SBZTWPXRWZEVHN-HZSPNIEDSA-N 2 0 289.427 1.457 10 0 CDAERP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H](c3ccnc(N)n3)C2)CC[NH2+]1 ZINC000415109894 391024898 /nfs/dbraw/zinc/02/48/98/391024898.db2.gz SBZTWPXRWZEVHN-RDBSUJKOSA-N 2 0 289.427 1.457 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N2CCC[NH2+]CC2)CC1 ZINC000417751577 391027181 /nfs/dbraw/zinc/02/71/81/391027181.db2.gz PLMLDCGVPCUZQF-UHFFFAOYSA-N 2 0 282.432 1.113 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)CC[NH2+]1 ZINC000647479479 390966583 /nfs/dbraw/zinc/96/65/83/390966583.db2.gz IYDWRYYZHJPAMH-FPCVCCKLSA-N 3 0 265.445 1.839 10 0 CDAERP CC(C)(C)[NH2+]CCN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647479935 390966780 /nfs/dbraw/zinc/96/67/80/390966780.db2.gz YGFNWBPPCPUZQM-ZIAGYGMSSA-N 2 0 253.434 1.839 10 0 CDAERP CCC[NH+]1CCN(c2ccccc2CN(C)CC[NH3+])CC1 ZINC000415104028 391029855 /nfs/dbraw/zinc/02/98/55/391029855.db2.gz GHZVUXNXHHBEDJ-UHFFFAOYSA-N 2 0 290.455 1.609 10 0 CDAERP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]CCc1cn2ccccc2n1 ZINC000415104316 391030237 /nfs/dbraw/zinc/03/02/37/391030237.db2.gz LBBPUOIPLCVBMK-KBPBESRZSA-N 2 0 272.396 1.997 10 0 CDAERP CCCN(C(=O)N[C@@H]1CCCC[NH2+]C1)C1CC[NH2+]CC1 ZINC000333716639 391102247 /nfs/dbraw/zinc/10/22/47/391102247.db2.gz TXYNWJSKGNFCMF-CYBMUJFWSA-N 2 0 282.432 1.302 10 0 CDAERP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527654887 391088045 /nfs/dbraw/zinc/08/80/45/391088045.db2.gz VWMNUHIGTFRAEH-OJLVUWQFSA-N 2 0 293.455 1.598 10 0 CDAERP C[N@@H+]1CCC[C@H](CCNC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)C1 ZINC000418295894 391284217 /nfs/dbraw/zinc/28/42/17/391284217.db2.gz RXBVOQHYCFSUGU-QLFBSQMISA-N 2 0 294.443 1.112 10 0 CDAERP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCCC[NH3+] ZINC000418312458 391298870 /nfs/dbraw/zinc/29/88/70/391298870.db2.gz OQLIWBYNLDUMAF-UHFFFAOYSA-N 2 0 292.427 1.629 10 0 CDAERP CC1=CC[N@H+](CCNC(=O)N[C@@H](C)CCCC[NH3+])CC1 ZINC000418029969 391345476 /nfs/dbraw/zinc/34/54/76/391345476.db2.gz ROBPTILSPWVIQW-AWEZNQCLSA-N 2 0 282.432 1.455 10 0 CDAERP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CCCN2CCOC)CCO1 ZINC000648443765 391345505 /nfs/dbraw/zinc/34/55/05/391345505.db2.gz KWKMJNXKSDMQJT-RBSFLKMASA-N 2 0 270.417 1.644 10 0 CDAERP CCC[C@H]1CN(C[C@H]([NH3+])CC(C)C)CC[N@@H+]1CCOC ZINC000414703334 391348636 /nfs/dbraw/zinc/34/86/36/391348636.db2.gz IUQSTFAHGSZBBE-CVEARBPZSA-N 2 0 285.476 1.793 10 0 CDAERP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000347521463 391397375 /nfs/dbraw/zinc/39/73/75/391397375.db2.gz LTFGKIUBPKNZCE-CABCVRRESA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000347521465 391397473 /nfs/dbraw/zinc/39/74/73/391397473.db2.gz LTFGKIUBPKNZCE-GJZGRUSLSA-N 2 0 295.471 1.955 10 0 CDAERP O[C@@H]1CC[C@@H]2C[N@H+](CCC[NH+]3CCCCC3)C[C@H]2C1 ZINC000412038302 391567329 /nfs/dbraw/zinc/56/73/29/391567329.db2.gz HFXRFALNDNKBIZ-BZUAXINKSA-N 2 0 266.429 1.955 10 0 CDAERP CC(C)(C)[C@H](O)C[C@H](CO)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647797128 391649524 /nfs/dbraw/zinc/64/95/24/391649524.db2.gz ZPLFADIUYSQRBZ-VQJWOFKYSA-N 2 0 284.444 1.122 10 0 CDAERP Cc1cncn1CC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000528304072 391662997 /nfs/dbraw/zinc/66/29/97/391662997.db2.gz MBYLOGDFRBNTOY-UHFFFAOYSA-N 2 0 278.400 1.524 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000417612590 391700797 /nfs/dbraw/zinc/70/07/97/391700797.db2.gz RGSRLXFYJGZRCR-KGLIPLIRSA-N 2 0 282.432 1.112 10 0 CDAERP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CC1CC[NH2+]CC1 ZINC000094440128 391702657 /nfs/dbraw/zinc/70/26/57/391702657.db2.gz AOPDBDQEKGQXRJ-DZGCQCFKSA-N 2 0 279.428 1.461 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000415011783 391722800 /nfs/dbraw/zinc/72/28/00/391722800.db2.gz IHMCGHMQYUEEKN-LBPRGKRZSA-N 2 0 289.379 1.390 10 0 CDAERP COc1ccccc1OCC[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000532203645 391732995 /nfs/dbraw/zinc/73/29/95/391732995.db2.gz OGJYCYOIONEMOR-CHWSQXEVSA-N 2 0 264.369 1.614 10 0 CDAERP [NH3+]C1(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)CCCC1 ZINC000371239394 391775469 /nfs/dbraw/zinc/77/54/69/391775469.db2.gz ZKUPHDBRIRUWRD-OLZOCXBDSA-N 2 0 265.401 1.249 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000334881481 391985557 /nfs/dbraw/zinc/98/55/57/391985557.db2.gz IRSMHUBBXYUKKT-GXTWGEPZSA-N 2 0 282.432 1.156 10 0 CDAERP C[NH+]1CCC2(CC1)C[N@H+](CCOCC1CCC1)CCO2 ZINC000646106944 392016335 /nfs/dbraw/zinc/01/63/35/392016335.db2.gz ZEOGLIQFTHKEKD-UHFFFAOYSA-N 2 0 282.428 1.600 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000252441998 391981752 /nfs/dbraw/zinc/98/17/52/391981752.db2.gz FYVYZQWKSDCYGT-GJZGRUSLSA-N 2 0 294.443 1.350 10 0 CDAERP CCc1nnc(CN2CCC(CC[NH+](C)C)CC2)n1C ZINC000195432287 392096502 /nfs/dbraw/zinc/09/65/02/392096502.db2.gz FPQCWXQZNBKUKJ-UHFFFAOYSA-N 2 0 279.432 1.541 10 0 CDAERP Cn1c(CN2CCC(CC[NH+](C)C)CC2)nnc1C1CC1 ZINC000195432280 392096701 /nfs/dbraw/zinc/09/67/01/392096701.db2.gz CSTUJJTUPMTEOC-UHFFFAOYSA-N 2 0 291.443 1.856 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000251649766 392238893 /nfs/dbraw/zinc/23/88/93/392238893.db2.gz GIHQQIQUKFQWPL-RDBSUJKOSA-N 2 0 265.401 1.214 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1cc(F)ccc1OC ZINC000423064132 392310858 /nfs/dbraw/zinc/31/08/58/392310858.db2.gz QNVAOXOXEHINLR-ZDUSSCGKSA-N 2 0 270.348 1.678 10 0 CDAERP C[C@@H]1C[C@@H]([NH3+])CCN1Cc1cc(-c2cnn(C)c2)no1 ZINC000567911158 392291046 /nfs/dbraw/zinc/29/10/46/392291046.db2.gz NNHVVSQYFLHXBU-PWSUYJOCSA-N 2 0 275.356 1.387 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1[NH2+][C@H]1CCN(c2ccc(F)cc2)C1 ZINC000423177725 392417139 /nfs/dbraw/zinc/41/71/39/392417139.db2.gz HRDCXKDSKSRBMB-NWANDNLSSA-N 2 0 263.360 1.874 10 0 CDAERP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCNCc1cccnc1 ZINC000423193359 392431854 /nfs/dbraw/zinc/43/18/54/392431854.db2.gz XFXGRYXVLPBRJW-ZBFHGGJFSA-N 2 0 276.428 1.539 10 0 CDAERP Cc1cn2cc(NC(=O)[C@@H]3CC[NH2+][C@H]3C)ccc2n1 ZINC000645879931 392451552 /nfs/dbraw/zinc/45/15/52/392451552.db2.gz XWQRLQKKMAJNEG-CMPLNLGQSA-N 2 0 258.325 1.579 10 0 CDAERP CC(C)C[C@@H]([NH3+])C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000646469734 392468640 /nfs/dbraw/zinc/46/86/40/392468640.db2.gz OWICUSYNDBYMBG-JXQTWKCFSA-N 2 0 267.417 1.493 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC[C@@H]([NH3+])c1ccccc1 ZINC000423241901 392464999 /nfs/dbraw/zinc/46/49/99/392464999.db2.gz LSNZCPZEMDHGPW-WQVCFCJDSA-N 2 0 259.397 1.759 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CC[NH2+]1 ZINC000646384903 392402569 /nfs/dbraw/zinc/40/25/69/392402569.db2.gz RWVJUOOIAWCNEQ-YHUYYLMFSA-N 2 0 293.455 1.613 10 0 CDAERP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423276424 392482978 /nfs/dbraw/zinc/48/29/78/392482978.db2.gz OMAYPOLUSNNLQY-BHYGNILZSA-N 3 0 275.440 1.924 10 0 CDAERP C[C@H]([NH2+]C[C@@H](c1cccs1)N(C)C)[C@@H]1CC[NH2+]C1 ZINC000400324774 392515938 /nfs/dbraw/zinc/51/59/38/392515938.db2.gz BAHWJUJVGJSMGO-XQQFMLRXSA-N 2 0 267.442 1.938 10 0 CDAERP OCC[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CCOC1 ZINC000574308163 392567611 /nfs/dbraw/zinc/56/76/11/392567611.db2.gz PEDKMLNEUZIWHK-YYIAUSFCSA-N 2 0 296.455 1.676 10 0 CDAERP C[C@@H](Cc1ccoc1)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000449127816 392660894 /nfs/dbraw/zinc/66/08/94/392660894.db2.gz XVVJTAUFNJGBFS-KBPBESRZSA-N 2 0 265.401 1.436 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1C ZINC000540514051 392772909 /nfs/dbraw/zinc/77/29/09/392772909.db2.gz REBCGVAZNJPPCS-IHRRRGAJSA-N 2 0 279.428 1.317 10 0 CDAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)CN3CC(C)(C)C3)CC[C@@H]21 ZINC000517171692 392846603 /nfs/dbraw/zinc/84/66/03/392846603.db2.gz DXFPMHMETYVYOF-KGLIPLIRSA-N 2 0 279.428 1.271 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000494256189 392963274 /nfs/dbraw/zinc/96/32/74/392963274.db2.gz HIZOTYVFGVFCKS-AWEZNQCLSA-N 2 0 293.455 1.851 10 0 CDAERP O[C@H](C[NH2+][C@@H]1CCCSCC1)C[NH+]1CCCCC1 ZINC000657843909 413056742 /nfs/dbraw/zinc/05/67/42/413056742.db2.gz FEQHKQKTIDFEPN-ZIAGYGMSSA-N 2 0 272.458 1.709 10 0 CDAERP O[C@@H](C[NH2+]C1CC(CF)(CF)C1)C[NH+]1CCCC1 ZINC000657843524 413057289 /nfs/dbraw/zinc/05/72/89/413057289.db2.gz DEDSKWJATFHXFK-LBPRGKRZSA-N 2 0 262.344 1.121 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)[C@@H]1C ZINC000495081329 393174509 /nfs/dbraw/zinc/17/45/09/393174509.db2.gz SWEOHNRBUALDFX-HUHANWACSA-N 2 0 266.429 1.998 10 0 CDAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000494957295 393139125 /nfs/dbraw/zinc/13/91/25/393139125.db2.gz JTYUURGFQIWLLQ-KBUPBQIOSA-N 2 0 253.434 1.647 10 0 CDAERP C[C@@H]1C[N@H+](CCO)CCN1CC[NH+](C)Cc1ccccc1 ZINC000452127701 393486292 /nfs/dbraw/zinc/48/62/92/393486292.db2.gz LITAFFVDBVKMJY-MRXNPFEDSA-N 2 0 291.439 1.117 10 0 CDAERP CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423140265 285570567 /nfs/dbraw/zinc/57/05/67/285570567.db2.gz MEKUBSVHZRTEGZ-SCVCMEIPSA-N 2 0 251.374 1.923 10 0 CDAERP OCC[NH+]1CCC(C[NH2+]Cc2cc(O)cc(F)c2)CC1 ZINC000185523006 140042277 /nfs/dbraw/zinc/04/22/77/140042277.db2.gz JKJNRXAQCVURQI-UHFFFAOYSA-N 2 0 282.359 1.325 10 0 CDAERP CSC[C@@H](O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000187744487 140083495 /nfs/dbraw/zinc/08/34/95/140083495.db2.gz WDKZQDBNISJFHA-AWEZNQCLSA-N 2 0 272.458 1.518 10 0 CDAERP Cc1nccnc1[C@@H](C)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000187975500 140087024 /nfs/dbraw/zinc/08/70/24/140087024.db2.gz CGPRQYJXIZEIMZ-CYBMUJFWSA-N 2 0 278.400 1.140 10 0 CDAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)CCn2cccn2)C1 ZINC000246013846 140281408 /nfs/dbraw/zinc/28/14/08/140281408.db2.gz UCYCPDPXJGHAKG-KGLIPLIRSA-N 2 0 250.390 1.593 10 0 CDAERP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C(F)(F)F ZINC000261550118 140346444 /nfs/dbraw/zinc/34/64/44/140346444.db2.gz LHZJQCYFFAIAFV-LNFKQOIKSA-N 2 0 266.307 1.420 10 0 CDAERP C[C@@H]1C[C@H](CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)CC[NH2+]1 ZINC000261586890 140356477 /nfs/dbraw/zinc/35/64/77/140356477.db2.gz URGIZEUYCJUYQY-TUVASFSCSA-N 2 0 251.418 1.543 10 0 CDAERP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)C[C@H]1CCC[NH2+]1 ZINC000261712222 140378678 /nfs/dbraw/zinc/37/86/78/140378678.db2.gz VMEINHOEBRMGEX-CZAVRGAYSA-N 2 0 265.401 1.151 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C[C@]2(C)CC[NH2+]C2)[C@@H](C)C1 ZINC000261736575 140382748 /nfs/dbraw/zinc/38/27/48/140382748.db2.gz HZJRONQCYBGVDM-SOUVJXGZSA-N 3 0 253.434 1.648 10 0 CDAERP [NH3+]C1(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CCCCC1 ZINC000261778845 140388518 /nfs/dbraw/zinc/38/85/18/140388518.db2.gz KYMFUHHEKKMVIV-BETUJISGSA-N 2 0 265.401 1.106 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CCC[C@H]1C[NH3+])N1C[C@@H](C)O[C@@H](C)C1 ZINC000656201722 413101597 /nfs/dbraw/zinc/10/15/97/413101597.db2.gz XYWYJXUTJXXNHA-NIFZNCRKSA-N 2 0 269.433 1.201 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cc3c(s2)CC[NH2+]C3)C1 ZINC000662583325 413149797 /nfs/dbraw/zinc/14/97/97/413149797.db2.gz FXDPWMVPTKTEKZ-KLPPZKSPSA-N 2 0 293.436 1.464 10 0 CDAERP CC[NH+]1CCC(NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000658054738 413158116 /nfs/dbraw/zinc/15/81/16/413158116.db2.gz IBOSKJDLWRURDV-AWEZNQCLSA-N 2 0 253.434 1.933 10 0 CDAERP CCC[NH2+][C@H](C)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662591665 413156987 /nfs/dbraw/zinc/15/69/87/413156987.db2.gz CBISCFWCAYIVDH-HIFRSBDPSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662594072 413165908 /nfs/dbraw/zinc/16/59/08/413165908.db2.gz RBCQWFVWUHRIOW-JHJVBQTASA-N 2 0 267.417 1.079 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)NCC1([NH+](C)C)CCC1 ZINC000651048433 397796097 /nfs/dbraw/zinc/79/60/97/397796097.db2.gz IEKZCWGKCJUXNC-UHFFFAOYSA-N 2 0 298.475 1.748 10 0 CDAERP CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H]1CCCOC1 ZINC000649755411 397935407 /nfs/dbraw/zinc/93/54/07/397935407.db2.gz NKQWOPYGUWDFFC-QGZVFWFLSA-N 2 0 297.487 1.903 10 0 CDAERP CC[NH+](CC)CCCN1CC[N@H+](CCOC)CC1(C)C ZINC000649851041 397993900 /nfs/dbraw/zinc/99/39/00/397993900.db2.gz JNIFXFZUBKRBDX-UHFFFAOYSA-N 2 0 285.476 1.761 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)NCCC[NH+](C)C ZINC000650551106 398046948 /nfs/dbraw/zinc/04/69/48/398046948.db2.gz GNQKHWYHOZVFRL-UHFFFAOYSA-N 2 0 272.437 1.215 10 0 CDAERP CC[NH+](CC)CCCNC(=O)C1CCC([NH3+])CC1 ZINC000037623143 398096294 /nfs/dbraw/zinc/09/62/94/398096294.db2.gz JFKUJZKFNVNQBP-UHFFFAOYSA-N 2 0 255.406 1.352 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]CC[C@@H](COC)OC)[C@@H](C)C1 ZINC000658085394 413185477 /nfs/dbraw/zinc/18/54/77/413185477.db2.gz WGSAIYJZHQVKRF-IHRRRGAJSA-N 2 0 258.406 1.358 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C(=O)N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000091544182 146984041 /nfs/dbraw/zinc/98/40/41/146984041.db2.gz UAWWRVBIIPHCFX-UONOGXRCSA-N 2 0 279.428 1.591 10 0 CDAERP CCC[C@](C)([NH3+])C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000094460128 147090062 /nfs/dbraw/zinc/09/00/62/147090062.db2.gz FROAJCYUVJUFQD-OBJOEFQTSA-N 2 0 253.390 1.199 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000105124965 147212711 /nfs/dbraw/zinc/21/27/11/147212711.db2.gz OVLSNDPHVQEAQA-ZIAGYGMSSA-N 2 0 284.448 1.452 10 0 CDAERP [NH3+]C1(CNC(=O)C[C@H]2CCC[NH2+]2)CCCCCC1 ZINC000122490834 147397340 /nfs/dbraw/zinc/39/73/40/147397340.db2.gz INYKUAHRLHFMJG-GFCCVEGCSA-N 2 0 253.390 1.296 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000178707441 148078295 /nfs/dbraw/zinc/07/82/95/148078295.db2.gz IZRLOQHWSSQKOZ-QWHCGFSZSA-N 2 0 265.401 1.104 10 0 CDAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCCn1ccnc1 ZINC000182962127 148277109 /nfs/dbraw/zinc/27/71/09/148277109.db2.gz QNDDSCCMCFPERQ-LSDHHAIUSA-N 2 0 262.401 1.832 10 0 CDAERP C[C@@H](C[NH3+])N(C)Cc1ccc2c(c1)sc(=O)n2C ZINC000262022151 149003258 /nfs/dbraw/zinc/00/32/58/149003258.db2.gz WHLRMIHQHNPATE-VIFPVBQESA-N 2 0 265.382 1.379 10 0 CDAERP C[C@@]1(C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)CC[NH2+]C1 ZINC000262100139 149017395 /nfs/dbraw/zinc/01/73/95/149017395.db2.gz VMUIPBLFPNXDMK-GOEBONIOSA-N 2 0 279.428 1.224 10 0 CDAERP O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000262423043 149062339 /nfs/dbraw/zinc/06/23/39/149062339.db2.gz GAGSARMQBBMTJU-VKFDKNKNSA-N 2 0 277.412 1.306 10 0 CDAERP O=C(N[C@H]1CCCC[NH2+]C1)N1CC[NH+](C2CCC2)CC1 ZINC000334928194 150095264 /nfs/dbraw/zinc/09/52/64/150095264.db2.gz BOJVSPHIJKRKOT-ZDUSSCGKSA-N 2 0 280.416 1.008 10 0 CDAERP O=C(c1ccc2c[nH+]cn2c1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000335066446 150252518 /nfs/dbraw/zinc/25/25/18/150252518.db2.gz AXUGBFCGOCCJSW-CJNGLKHVSA-N 2 0 298.390 1.939 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)CC[NH2+]CC1CC(F)(F)C1 ZINC001664324071 1172839906 /nfs/dbraw/zinc/83/99/06/1172839906.db2.gz CUAUSJRYSXYZDL-UHFFFAOYSA-N 2 0 291.386 1.422 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[NH2+][C@@H](C)C2)cc1 ZINC000335198470 150398030 /nfs/dbraw/zinc/39/80/30/150398030.db2.gz XVNQIJPGIZJHBK-RYUDHWBXSA-N 2 0 276.384 1.210 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000335989625 151177610 /nfs/dbraw/zinc/17/76/10/151177610.db2.gz JNNGETPJRYWFHB-GOEBONIOSA-N 2 0 279.428 1.463 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000662685977 413309272 /nfs/dbraw/zinc/30/92/72/413309272.db2.gz JOYLPCJDJJGWED-BXUZGUMPSA-N 2 0 277.368 1.413 10 0 CDAERP [NH3+][C@@H](Cc1cn([C@H]2CCC[NH2+]C2)nn1)c1ccccc1 ZINC000656466990 413321999 /nfs/dbraw/zinc/32/19/99/413321999.db2.gz IMMHETDLBDJCIJ-GJZGRUSLSA-N 2 0 271.368 1.445 10 0 CDAERP C[NH+](C)CCOCC[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000354189969 156314270 /nfs/dbraw/zinc/31/42/70/156314270.db2.gz IZZUJXRDJHUYAZ-UHFFFAOYSA-N 2 0 288.395 1.745 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+]1CCCC1 ZINC000354323202 156386634 /nfs/dbraw/zinc/38/66/34/156386634.db2.gz AGZVXYMKMFSJPF-CQSZACIVSA-N 2 0 267.417 1.463 10 0 CDAERP CC[NH+](CC)CCC[NH2+]C1(CO)Cc2ccccc2C1 ZINC000365039414 159376472 /nfs/dbraw/zinc/37/64/72/159376472.db2.gz FHWONOWDBVOOLG-UHFFFAOYSA-N 2 0 276.424 1.838 10 0 CDAERP CC[C@@](C)(O)C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000372900945 160156723 /nfs/dbraw/zinc/15/67/23/160156723.db2.gz PIUCGIBAQUACCE-QGZVFWFLSA-N 2 0 297.487 1.638 10 0 CDAERP C[C@@H]1CCOCC[NH+]1C/C=C/C[N@H+]1CCOCC[C@H]1C ZINC000374976515 160330364 /nfs/dbraw/zinc/33/03/64/160330364.db2.gz GKEHOOKVDMWZFQ-OBMMGQTPSA-N 2 0 282.428 1.764 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CC[NH+]2CCC1CC2 ZINC000375136860 160348171 /nfs/dbraw/zinc/34/81/71/160348171.db2.gz WLHOMMRLBHBMPJ-CYBMUJFWSA-N 2 0 282.432 1.206 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000662744296 413416483 /nfs/dbraw/zinc/41/64/83/413416483.db2.gz DARVYAZQULLGKO-BFHYXJOUSA-N 2 0 267.417 1.175 10 0 CDAERP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662754235 413430387 /nfs/dbraw/zinc/43/03/87/413430387.db2.gz HVJOSVQWZKEJSR-GXSJLCMTSA-N 2 0 292.383 1.081 10 0 CDAERP C[C@@H]1CN(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)[C@H](C)C[NH2+]1 ZINC000417540264 296830783 /nfs/dbraw/zinc/83/07/83/296830783.db2.gz WRBVAMIULHVENS-KBUPBQIOSA-N 2 0 296.459 1.641 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001665569786 1173013631 /nfs/dbraw/zinc/01/36/31/1173013631.db2.gz BZOKKWKPEPOFBD-CYBMUJFWSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000653176115 412116938 /nfs/dbraw/zinc/11/69/38/412116938.db2.gz KKGKAIILUISUJK-ZIAGYGMSSA-N 2 0 269.433 1.469 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000653176558 412117512 /nfs/dbraw/zinc/11/75/12/412117512.db2.gz YUARZJUDWWRPIN-LBPRGKRZSA-N 2 0 291.386 1.325 10 0 CDAERP CC[NH+](CC)CC(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000653240003 412159447 /nfs/dbraw/zinc/15/94/47/412159447.db2.gz IPPPRBHMEBTFEG-OLZOCXBDSA-N 2 0 255.406 1.304 10 0 CDAERP C[NH+](C)C1CCC(NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000654596615 413479659 /nfs/dbraw/zinc/47/96/59/413479659.db2.gz WKHSKIQXEBEILY-LPDVGHNRSA-N 2 0 296.459 1.499 10 0 CDAERP CN(CC[NH+]1CCCC1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654659955 413549523 /nfs/dbraw/zinc/54/95/23/413549523.db2.gz NQTBGEHSEQQKSB-OKILXGFUSA-N 2 0 282.432 1.064 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000660844660 413557949 /nfs/dbraw/zinc/55/79/49/413557949.db2.gz SBXPVSHYTUDZFY-OLZOCXBDSA-N 2 0 284.448 1.499 10 0 CDAERP C[C@@H]1CCCN(C(=O)c2cc(C(C)(C)[NH3+])no2)[C@@H]1CC[NH3+] ZINC000662828978 413560045 /nfs/dbraw/zinc/56/00/45/413560045.db2.gz JSJQQHSPGVRZOJ-GHMZBOCLSA-N 2 0 294.399 1.458 10 0 CDAERP CCC[NH2+][C@H](C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000662867484 413628291 /nfs/dbraw/zinc/62/82/91/413628291.db2.gz MFSVBMVQVFEVPX-FVQBIDKESA-N 2 0 289.423 1.636 10 0 CDAERP O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)[C@H]1CCCC[NH2+]1 ZINC000662885530 413653829 /nfs/dbraw/zinc/65/38/29/413653829.db2.gz RZGKHEJWKNPXSU-CABCVRRESA-N 2 0 289.379 1.428 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000664718271 413612496 /nfs/dbraw/zinc/61/24/96/413612496.db2.gz BHSCDBNQGPDDDN-NSHDSACASA-N 2 0 255.406 1.221 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)c2cc(C(C)(C)[NH3+])no2)C1 ZINC000662911825 413695654 /nfs/dbraw/zinc/69/56/54/413695654.db2.gz WAKAHLWXNWAUDT-JTQLQIEISA-N 2 0 280.372 1.083 10 0 CDAERP C[C@@H](NC(=O)[C@](C)([NH3+])c1ccccc1)c1nccn1C ZINC000662932803 413719729 /nfs/dbraw/zinc/71/97/29/413719729.db2.gz GHPDIWPJNHXJLG-IAQYHMDHSA-N 2 0 272.352 1.471 10 0 CDAERP C[NH2+]C[C@@H](C)NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000659472918 413862155 /nfs/dbraw/zinc/86/21/55/413862155.db2.gz RIQVKHPKPOQFCQ-PNESKVBLSA-N 2 0 270.421 1.014 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000659528755 413931821 /nfs/dbraw/zinc/93/18/21/413931821.db2.gz GRZQGZLPKMJKIJ-OCCSQVGLSA-N 2 0 270.421 1.049 10 0 CDAERP CCN(C(=O)NCCC[NH+](C)CC(C)C)[C@H]1CC[N@H+](C)C1 ZINC000665217492 413946978 /nfs/dbraw/zinc/94/69/78/413946978.db2.gz LFIHKHBQKFMQLL-HNNXBMFYSA-N 2 0 298.475 1.700 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccn1 ZINC000665232380 413959390 /nfs/dbraw/zinc/95/93/90/413959390.db2.gz LZEGGOBEOYIXON-TXCZRRACSA-N 2 0 289.423 1.932 10 0 CDAERP C[C@H](N[C@@H]1CC[N@@H+](C(C)(C)C)C1)[C@H]1CCC[NH2+]C1 ZINC000665236792 413969669 /nfs/dbraw/zinc/96/96/69/413969669.db2.gz UKLDIFIORDISGN-MELADBBJSA-N 2 0 253.434 1.837 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1c(C2CCC2)cnn1C ZINC000665273638 414004898 /nfs/dbraw/zinc/00/48/98/414004898.db2.gz AKXMHKXICBWJSA-QWRGUYRKSA-N 2 0 250.390 1.903 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)C(C)C)CC1 ZINC000665285766 414023948 /nfs/dbraw/zinc/02/39/48/414023948.db2.gz WJNNOYJJCDNKPU-CYBMUJFWSA-N 2 0 269.433 1.611 10 0 CDAERP CC[N@@H+]1CCC[C@H]([C@@H](C)NCC[NH+]2CCCC2)C1 ZINC000037220763 173039808 /nfs/dbraw/zinc/03/98/08/173039808.db2.gz XASBHTOJWJRBFN-CABCVRRESA-N 2 0 253.434 1.792 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)N1CC[NH+]2CCC1CC2 ZINC000661404612 414062410 /nfs/dbraw/zinc/06/24/10/414062410.db2.gz OJZDXJKGJQUTFL-CQSZACIVSA-N 2 0 294.443 1.349 10 0 CDAERP COC1CC[NH+](Cc2ccc(C(N)=[NH2+])cc2F)CC1 ZINC000037266405 173075795 /nfs/dbraw/zinc/07/57/95/173075795.db2.gz NVOUIONSTUEWAG-UHFFFAOYSA-N 2 0 265.332 1.721 10 0 CDAERP CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]C2CCN(C)CC2)C1 ZINC000037266968 173076498 /nfs/dbraw/zinc/07/64/98/173076498.db2.gz KLHBAEXSXUPXNC-ZIAGYGMSSA-N 2 0 253.434 1.791 10 0 CDAERP COc1cc2[nH+]ccc(N[C@@H](C)[C@@H](C)[NH3+])c2cc1OC ZINC000663242833 414080877 /nfs/dbraw/zinc/08/08/77/414080877.db2.gz VAIJNSAHWZTAGL-ZJUUUORDSA-N 2 0 275.352 1.822 10 0 CDAERP CCN(C(=O)NC[C@H]1CC[NH+]1C(C)(C)C)[C@H]1CC[N@H+](C)C1 ZINC000665355330 414096087 /nfs/dbraw/zinc/09/60/87/414096087.db2.gz QKUGLXLOPDLXGZ-KGLIPLIRSA-N 2 0 296.459 1.595 10 0 CDAERP C[C@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655802957 414194137 /nfs/dbraw/zinc/19/41/37/414194137.db2.gz JIKJFFAQXKRING-LVQVYYBASA-N 2 0 297.487 1.804 10 0 CDAERP c1cc(C[NH2+]CC2CCOCC2)n(-c2cc[nH+]cc2)n1 ZINC000657339723 414200076 /nfs/dbraw/zinc/20/00/76/414200076.db2.gz JNIFHPCYXRATIX-UHFFFAOYSA-N 2 0 272.352 1.784 10 0 CDAERP CC(C)[N@H+](C)CCNCc1ccnn1-c1cc[nH+]cc1 ZINC000657341207 414202638 /nfs/dbraw/zinc/20/26/38/414202638.db2.gz PGVIDXQOJPYBJK-UHFFFAOYSA-N 2 0 273.384 1.697 10 0 CDAERP CC[NH+](CC)CCCNC(=O)C[NH2+]C1CCCC1 ZINC000037623144 173575578 /nfs/dbraw/zinc/57/55/78/173575578.db2.gz UVLGAKYGSHBDGL-UHFFFAOYSA-N 2 0 255.406 1.367 10 0 CDAERP C[C@H]1CCC[C@H]([NH+]2CCC(N[C@H]3CCNC3=O)CC2)C1 ZINC000663456630 414266775 /nfs/dbraw/zinc/26/67/75/414266775.db2.gz LBBSLFMYHRQEJX-QEJZJMRPSA-N 2 0 279.428 1.508 10 0 CDAERP CO[C@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)[C@H]1CCOC1 ZINC000659947694 414287310 /nfs/dbraw/zinc/28/73/10/414287310.db2.gz MMIPEUYOGYXQHX-HRCADAONSA-N 2 0 282.428 1.456 10 0 CDAERP CO[C@H](C[N@H+](C)C[C@@H]1CCC[NH+](C)C1)[C@@H]1CCOC1 ZINC000659948780 414289510 /nfs/dbraw/zinc/28/95/10/414289510.db2.gz RGOHDRZWRLGACQ-RBSFLKMASA-N 2 0 270.417 1.312 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CC[C@@H](C)C2)CC1 ZINC000663507149 414308531 /nfs/dbraw/zinc/30/85/31/414308531.db2.gz YVAFMSUWPURDQH-HIFRSBDPSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@]1(NC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC[NH2+]C1 ZINC000663588655 414364120 /nfs/dbraw/zinc/36/41/20/414364120.db2.gz MGMWLNDTLGTMRS-AWEZNQCLSA-N 2 0 286.339 1.141 10 0 CDAERP CON1CCC([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000657494662 414392314 /nfs/dbraw/zinc/39/23/14/414392314.db2.gz QENDLJRWJDFCJN-UHFFFAOYSA-N 2 0 287.367 1.383 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](COC)OC)C[C@@H]1C ZINC000659983938 414323638 /nfs/dbraw/zinc/32/36/38/414323638.db2.gz YQBORBNEZKZYPI-IHRRRGAJSA-N 2 0 258.406 1.452 10 0 CDAERP CC[C@](C)([NH2+]C[C@H]1CCC2(C[NH2+]C2)O1)c1nccs1 ZINC000662264558 414599838 /nfs/dbraw/zinc/59/98/38/414599838.db2.gz QWYDPNYUGHIKRL-YPMHNXCESA-N 2 0 281.425 1.879 10 0 CDAERP COC[C@@H](C[N@H+](CCC[NH3+])Cc1ccccc1)OC ZINC000662273077 414604694 /nfs/dbraw/zinc/60/46/94/414604694.db2.gz SDAYGCFONIGLOU-OAHLLOKOSA-N 2 0 266.385 1.499 10 0 CDAERP CC1(C)CCCC[C@@H]1C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000662242071 414582022 /nfs/dbraw/zinc/58/20/22/414582022.db2.gz BFJGWCIQIMXAOR-HUUCEWRRSA-N 2 0 295.471 1.990 10 0 CDAERP CCc1ccc([C@H](C)[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000038031102 174024890 /nfs/dbraw/zinc/02/48/90/174024890.db2.gz RBYSTWDSTIGBNO-AWEZNQCLSA-N 2 0 289.423 1.674 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+])CS(C)(=O)=O ZINC000662313770 414632945 /nfs/dbraw/zinc/63/29/45/414632945.db2.gz MBIQGPCXQJXHGP-BFHYXJOUSA-N 2 0 290.473 1.507 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)[C@@](C)([NH3+])CCC)CC1 ZINC000038100799 174115389 /nfs/dbraw/zinc/11/53/89/174115389.db2.gz YCLRQWCJDQZJIL-HNNXBMFYSA-N 2 0 269.433 1.837 10 0 CDAERP CCCC(CCC)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508127 174303115 /nfs/dbraw/zinc/30/31/15/174303115.db2.gz JLNURXYZUMMEOF-OAHLLOKOSA-N 2 0 281.444 1.851 10 0 CDAERP Cc1nn(C)c(N2CCC([NH+]3CCCCC3)CC2)c1C[NH3+] ZINC000040694281 174377968 /nfs/dbraw/zinc/37/79/68/174377968.db2.gz ZOGOMNQNTMOIAL-UHFFFAOYSA-N 2 0 291.443 1.642 10 0 CDAERP CC[C@@H]([NH3+])[C@H](c1ccccn1)N(C)C1CC[NH+](C)CC1 ZINC000043338861 175013163 /nfs/dbraw/zinc/01/31/63/175013163.db2.gz CRFVIPVMFOTJDY-GDBMZVCRSA-N 2 0 276.428 1.886 10 0 CDAERP C[C@@H]([NH3+])[C@H](c1cccnc1)N1CCC(C[NH+](C)C)CC1 ZINC000043347940 175018177 /nfs/dbraw/zinc/01/81/77/175018177.db2.gz WEQHQQLMRMBUBZ-CZUORRHYSA-N 2 0 276.428 1.744 10 0 CDAERP CC[C@@H]([NH3+])[C@@H](N1CCC([NH+](C)C)CC1)C(F)(F)F ZINC000043377619 175030043 /nfs/dbraw/zinc/03/00/43/175030043.db2.gz ZMAAYYFDUPHGNE-GHMZBOCLSA-N 2 0 267.339 1.681 10 0 CDAERP CC(C)C[N@H+](CCC[NH3+])[C@@H](C)C(=O)N1CCCCC1 ZINC000043417394 175038239 /nfs/dbraw/zinc/03/82/39/175038239.db2.gz AJZJPOJILQEODG-AWEZNQCLSA-N 2 0 269.433 1.694 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000043512759 175060846 /nfs/dbraw/zinc/06/08/46/175060846.db2.gz NKFYKQTVPFYKIU-HZPDHXFCSA-N 2 0 289.423 1.576 10 0 CDAERP CC(C)[C@@H](CNC(=O)[C@H]1[NH2+]CCc2ccccc21)[NH+](C)C ZINC000043595768 175076971 /nfs/dbraw/zinc/07/69/71/175076971.db2.gz YODSFAPDLYBELZ-CVEARBPZSA-N 2 0 289.423 1.576 10 0 CDAERP CCC[NH+]1CCN([C@H]2COc3ccccc3[C@H]2[NH2+]C)CC1 ZINC000043805393 175107493 /nfs/dbraw/zinc/10/74/93/175107493.db2.gz JUOBLNOZNRXMRX-DOTOQJQBSA-N 2 0 289.423 1.736 10 0 CDAERP CCC[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000043810923 175110056 /nfs/dbraw/zinc/11/00/56/175110056.db2.gz CWICYZSBLLNVRW-MRXNPFEDSA-N 2 0 261.413 1.975 10 0 CDAERP C[NH2+][C@@H]1CCCCC[C@@H]1N1CCC([NH+](C)C)CC1 ZINC000043897252 175120071 /nfs/dbraw/zinc/12/00/71/175120071.db2.gz PPBOKHWCXCPDRV-CABCVRRESA-N 2 0 253.434 1.933 10 0 CDAERP C[NH2+][C@H]1CCOC[C@@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000043907775 175123533 /nfs/dbraw/zinc/12/35/33/175123533.db2.gz DJSCRPAOXNIBPP-HOTGVXAUSA-N 2 0 281.444 1.314 10 0 CDAERP COc1ccc(NC(=O)C[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000044518389 175190701 /nfs/dbraw/zinc/19/07/01/175190701.db2.gz SDSDAQHIQYLJEY-UHFFFAOYSA-N 2 0 291.395 1.565 10 0 CDAERP C[NH+]1CCC(C[NH2+]Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000044518329 175190838 /nfs/dbraw/zinc/19/08/38/175190838.db2.gz LMIDXDPUWCBATO-UHFFFAOYSA-N 2 0 286.379 1.355 10 0 CDAERP CC[NH+]1CCC(C[NH2+]Cc2cc(C(N)=O)ccc2F)CC1 ZINC000044518757 175191416 /nfs/dbraw/zinc/19/14/16/175191416.db2.gz GCWWFEDNTTZMDX-UHFFFAOYSA-N 2 0 293.386 1.746 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)C1(C[NH3+])CCCCCC1 ZINC000044753441 175246042 /nfs/dbraw/zinc/24/60/42/175246042.db2.gz CKBRNVUSZJCMIN-CQSZACIVSA-N 2 0 281.444 1.886 10 0 CDAERP C[NH+]1CCC(CNC(=O)C2(C[NH3+])CCCCC2)CC1 ZINC000044764386 175248724 /nfs/dbraw/zinc/24/87/24/175248724.db2.gz SADGIYJTJLGWRF-UHFFFAOYSA-N 2 0 267.417 1.354 10 0 CDAERP Cc1nn(C)c(C)c1[C@@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000045168300 175319546 /nfs/dbraw/zinc/31/95/46/175319546.db2.gz LFWYTSUGTUEIBE-CYBMUJFWSA-N 2 0 293.459 1.325 10 0 CDAERP COC(=O)[C@](C)([NH3+])CCCC[N@H+](C)C1CCCC1 ZINC000045384639 175371667 /nfs/dbraw/zinc/37/16/67/175371667.db2.gz BNPKBZJORIAMND-CQSZACIVSA-N 2 0 256.390 1.922 10 0 CDAERP COC(=O)[C@](C)([NH3+])CCCCN1CCC([NH+](C)C)CC1 ZINC000045392426 175375375 /nfs/dbraw/zinc/37/53/75/175375375.db2.gz DEJPYLNAZYBFGP-OAHLLOKOSA-N 2 0 285.432 1.073 10 0 CDAERP CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)CCC[NH+](C)C ZINC000547484140 289779288 /nfs/dbraw/zinc/77/92/88/289779288.db2.gz UQBOFTCETHLSLR-GFCCVEGCSA-N 2 0 257.422 1.563 10 0 CDAERP CN(C)c1cc[nH+]cc1NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000070574619 175989990 /nfs/dbraw/zinc/98/99/90/175989990.db2.gz JUGCTAXJNBSJMM-GHMZBOCLSA-N 2 0 262.357 1.604 10 0 CDAERP CCC[NH2+][C@@H]1CCCN([C@H](C)C[NH+](CC)CC)C1=O ZINC000071034724 176024559 /nfs/dbraw/zinc/02/45/59/176024559.db2.gz IGRALQHDDVZBDI-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP CC[NH+](CC)C[C@H](C)N1CC[C@@H]([NH2+]C2CC2)C1=O ZINC000071034715 176024959 /nfs/dbraw/zinc/02/49/59/176024959.db2.gz MKJDWTGZSZOYJU-WCQYABFASA-N 2 0 253.390 1.070 10 0 CDAERP CC[NH2+][C@@H]1CCCN([C@H](C)C[NH+]2CCCCC2)C1=O ZINC000071037388 176025712 /nfs/dbraw/zinc/02/57/12/176025712.db2.gz XDGBIBKEEPMXSE-ZIAGYGMSSA-N 2 0 267.417 1.461 10 0 CDAERP CCC[NH2+][C@@H]1CCCN([C@@H](C)C[NH+]2CCCCC2)C1=O ZINC000071037369 176026153 /nfs/dbraw/zinc/02/61/53/176026153.db2.gz ANSVFHIMXKRXBA-LSDHHAIUSA-N 2 0 281.444 1.851 10 0 CDAERP CC[C@H]1CCC[C@](C[NH3+])(N2CCN(CC[NH+](C)C)CC2)C1 ZINC000071124624 176034814 /nfs/dbraw/zinc/03/48/14/176034814.db2.gz LGUBQUHSKYGNPN-IRXDYDNUSA-N 2 0 296.503 1.463 10 0 CDAERP CCOc1ccccc1[C@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071148868 176044705 /nfs/dbraw/zinc/04/47/05/176044705.db2.gz UTFDXCYZRIFGFQ-HNNXBMFYSA-N 2 0 291.439 1.983 10 0 CDAERP C[N@H+](CCC(=O)Nc1cccc(N)c1)C[C@@H]1CC[NH+](C)C1 ZINC000071187743 176061582 /nfs/dbraw/zinc/06/15/82/176061582.db2.gz SPZZNNUGFDQMJR-CYBMUJFWSA-N 2 0 290.411 1.481 10 0 CDAERP C[NH2+][C@H]1c2ccccc2OC[C@H]1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188883 176064066 /nfs/dbraw/zinc/06/40/66/176064066.db2.gz OSDGSSNRRLKEQJ-UNEWFSDZSA-N 2 0 289.423 1.592 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)CC1(C[NH3+])CCCCC1 ZINC000071191497 176069153 /nfs/dbraw/zinc/06/91/53/176069153.db2.gz LSPBLCGSFVAPBJ-CQSZACIVSA-N 2 0 253.434 1.779 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)c1ccc(C[NH2+]C2CC2)nn1 ZINC000071191689 176070990 /nfs/dbraw/zinc/07/09/90/176070990.db2.gz PQHJQCGLAXUUAU-GFCCVEGCSA-N 2 0 275.400 1.117 10 0 CDAERP CC[NH2+]Cc1occc1CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191892 176071726 /nfs/dbraw/zinc/07/17/26/176071726.db2.gz CQQWRXSFSQDXGW-CYBMUJFWSA-N 2 0 265.401 1.773 10 0 CDAERP C(CN1CCC[C@H]([NH2+]C2CC2)C1)C[NH+]1CCCC1 ZINC000071200307 176077505 /nfs/dbraw/zinc/07/75/05/176077505.db2.gz OUKUBKJIMKAJAI-HNNXBMFYSA-N 2 0 251.418 1.689 10 0 CDAERP CCC[NH2+][C@@H]1CCCN(CC2CC[NH+](C)CC2)C1 ZINC000071201204 176077734 /nfs/dbraw/zinc/07/77/34/176077734.db2.gz WZXXJILJDHAECS-OAHLLOKOSA-N 2 0 253.434 1.792 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000071201498 176078059 /nfs/dbraw/zinc/07/80/59/176078059.db2.gz XUCRYTRNBFRQIF-ZFWWWQNUSA-N 2 0 251.418 1.687 10 0 CDAERP c1nn2ccccc2c1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000071373093 176138488 /nfs/dbraw/zinc/13/84/88/176138488.db2.gz OALBOXVBPMOXHN-ZDUSSCGKSA-N 2 0 270.380 1.908 10 0 CDAERP C[NH2+]CC1(CN2CC[NH+](CC(C)(C)O)CC2)CCCC1 ZINC000071381837 176145685 /nfs/dbraw/zinc/14/56/85/176145685.db2.gz HRGBANFBYJHXLY-UHFFFAOYSA-N 2 0 283.460 1.155 10 0 CDAERP C[NH2+][C@H](CCN1CC[NH+](CC(C)(C)O)CC1)C(C)(C)C ZINC000071381811 176145813 /nfs/dbraw/zinc/14/58/13/176145813.db2.gz PVGLPMVANIVLJT-CQSZACIVSA-N 2 0 285.476 1.399 10 0 CDAERP CCC[NH2+]C[C@](C)(NC(=O)[C@@H](CC)[NH+](C)C)C1CC1 ZINC001666004901 1173099783 /nfs/dbraw/zinc/09/97/83/1173099783.db2.gz LAQCTJKYRKJDEH-HIFRSBDPSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001666547417 1173150383 /nfs/dbraw/zinc/15/03/83/1173150383.db2.gz WGHXZUAJRCWEFH-HOCLYGCPSA-N 2 0 295.471 1.716 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001666547416 1173150903 /nfs/dbraw/zinc/15/09/03/1173150903.db2.gz WGHXZUAJRCWEFH-GOEBONIOSA-N 2 0 295.471 1.716 10 0 CDAERP CC[NH2+]CC1CCN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000517932804 260320429 /nfs/dbraw/zinc/32/04/29/260320429.db2.gz WKZOILMUTAHQPL-JSGCOSHPSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662264287 423810598 /nfs/dbraw/zinc/81/05/98/423810598.db2.gz HVBXRETTWXYJCI-QWHCGFSZSA-N 3 0 259.397 1.501 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000653260168 423826274 /nfs/dbraw/zinc/82/62/74/423826274.db2.gz DBXZDCFOTHYRIS-ZNMIVQPWSA-N 2 0 297.443 1.216 10 0 CDAERP C[C@@H](O)CCC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662323984 423956205 /nfs/dbraw/zinc/95/62/05/423956205.db2.gz RSBNXPPKHUVRTP-ZIAGYGMSSA-N 2 0 258.406 1.190 10 0 CDAERP [NH3+]Cc1cn([C@H]2CCC[N@H+](CC[C@@H]3CCCCO3)C2)nn1 ZINC000662284023 423898368 /nfs/dbraw/zinc/89/83/68/423898368.db2.gz WTJHOJAVBMSKTH-GJZGRUSLSA-N 2 0 293.415 1.333 10 0 CDAERP C[C@@H]1CCC[N@H+](CCO[C@@H]2CC2(F)F)[C@@H]1CC[NH3+] ZINC000662287169 423913364 /nfs/dbraw/zinc/91/33/64/423913364.db2.gz XKCVNOAUJAECHM-IJLUTSLNSA-N 2 0 262.344 1.860 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N[C@H](C)CCCC[NH3+] ZINC000652220085 424095103 /nfs/dbraw/zinc/09/51/03/424095103.db2.gz UCWJHYLQMPECDD-CYBMUJFWSA-N 2 0 292.427 1.723 10 0 CDAERP [NH3+]CC1(CCNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000652239868 424120953 /nfs/dbraw/zinc/12/09/53/424120953.db2.gz HCKHNNBZMNKMSN-AWEZNQCLSA-N 2 0 294.443 1.243 10 0 CDAERP CCN1C[C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CC1=O ZINC000652299890 424204149 /nfs/dbraw/zinc/20/41/49/424204149.db2.gz RLFFXIZWUYUMJM-GBJTYRQASA-N 2 0 279.428 1.317 10 0 CDAERP Cc1nc2cc(NC(=O)[C@@H](N)CC[NH+](C)C)ccc2o1 ZINC000653106105 424257189 /nfs/dbraw/zinc/25/71/89/424257189.db2.gz UGWGTYDNJITWJZ-NSHDSACASA-N 2 0 276.340 1.354 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1)C1CCCCC1 ZINC000653109784 424275115 /nfs/dbraw/zinc/27/51/15/424275115.db2.gz MGVHJDJURUSRJP-JKSUJKDBSA-N 2 0 293.455 1.898 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653111979 424283445 /nfs/dbraw/zinc/28/34/45/424283445.db2.gz HZQNOZOLFISJGC-HBNTYKKESA-N 2 0 295.349 1.231 10 0 CDAERP C[NH+](C)CCCCNC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662684449 424313874 /nfs/dbraw/zinc/31/38/74/424313874.db2.gz ZAVKDTUJZWSGIO-HNNXBMFYSA-N 2 0 275.396 1.679 10 0 CDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)CCCC[NH3+] ZINC000309702767 424328723 /nfs/dbraw/zinc/32/87/23/424328723.db2.gz GTPIHLUPKVTVOA-CQSZACIVSA-N 2 0 277.412 1.752 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+][C@@H]2CC[C@H](C)SC2)CC1 ZINC000655689206 424394656 /nfs/dbraw/zinc/39/46/56/424394656.db2.gz YRVIMXKISYMGIA-LSDHHAIUSA-N 2 0 285.501 1.888 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000665272900 424483381 /nfs/dbraw/zinc/48/33/81/424483381.db2.gz NFTUXXYEFYRWSE-VIRABCJISA-N 2 0 264.417 1.847 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662793759 424484096 /nfs/dbraw/zinc/48/40/96/424484096.db2.gz YXCQEXKERKMESZ-ZDUSSCGKSA-N 2 0 281.444 1.885 10 0 CDAERP C[C@H]1CCN(C(=O)C2([NH2+]C3CC3)CCC2)C[C@H]1C[NH3+] ZINC000662813174 424503379 /nfs/dbraw/zinc/50/33/79/424503379.db2.gz IBVNPUXNBAGJBZ-NWDGAFQWSA-N 2 0 265.401 1.104 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000662851554 424527428 /nfs/dbraw/zinc/52/74/28/424527428.db2.gz BRFOJRUXGDGSMG-AGIUHOORSA-N 2 0 267.417 1.350 10 0 CDAERP [NH3+][C@H](C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1cccc(Cl)c1 ZINC000662943777 424565488 /nfs/dbraw/zinc/56/54/88/424565488.db2.gz CMOWSAJJBIDRTF-UTUOFQBUSA-N 2 0 285.750 1.238 10 0 CDAERP CCC1(CC)CN(CCn2ccnc2)CC[S@]1=O ZINC000185273064 270256998 /nfs/dbraw/zinc/25/69/98/270256998.db2.gz RXQPSVVDKTWFAN-GOSISDBHSA-N 2 0 269.414 1.506 10 0 CDAERP CC1(C)[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)[C@@H]2CCO[C@H]21 ZINC000530179175 271131865 /nfs/dbraw/zinc/13/18/65/271131865.db2.gz QHIIIPYYGNAPBK-UMSGYPCISA-N 2 0 250.386 1.674 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000530213132 271156458 /nfs/dbraw/zinc/15/64/58/271156458.db2.gz VFWTURFTNQFFCK-DEPYFDJDSA-N 2 0 252.402 1.765 10 0 CDAERP CN1C(=O)c2ccccc2[C@@H]1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000530221418 271162921 /nfs/dbraw/zinc/16/29/21/271162921.db2.gz FGLVMSQLQAFCCF-GLQYFDAESA-N 2 0 273.380 1.530 10 0 CDAERP COc1ccc(CC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cn1 ZINC000530221881 271163142 /nfs/dbraw/zinc/16/31/42/271163142.db2.gz PKDBGIFVYKUNPG-KGLIPLIRSA-N 2 0 263.385 1.740 10 0 CDAERP CN1C(=O)c2ccccc2[C@@H]1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000530222830 271165117 /nfs/dbraw/zinc/16/51/17/271165117.db2.gz HTFBIIYJUQZXSF-ZUEPYMLJSA-N 2 0 287.407 1.920 10 0 CDAERP O=c1ccc([C@@H]2CCC[N@@H+]2CC[C@H]2CC[NH2+]C2)n[nH]1 ZINC000530235477 271175074 /nfs/dbraw/zinc/17/50/74/271175074.db2.gz YPZFDNQCDTYUSP-YPMHNXCESA-N 2 0 262.357 1.319 10 0 CDAERP CC[N@@H+]1CC[C@H]2OCCN(CC[NH+]3CCCCC3)[C@H]2C1 ZINC000339389535 276235450 /nfs/dbraw/zinc/23/54/50/276235450.db2.gz DHYBRTVFQSQYCY-JKSUJKDBSA-N 2 0 281.444 1.267 10 0 CDAERP CCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000245973723 276285544 /nfs/dbraw/zinc/28/55/44/276285544.db2.gz OJRAYWKBHSNXHO-KKUMJFAQSA-N 2 0 275.396 1.675 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000334622616 277044282 /nfs/dbraw/zinc/04/42/82/277044282.db2.gz BQCYYXBZZSNGFF-UKRRQHHQSA-N 2 0 265.401 1.073 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2(C)CC[NH2+]CC2)[C@H]2CCC[C@@H]21 ZINC000423322967 277170312 /nfs/dbraw/zinc/17/03/12/277170312.db2.gz HSOORUCSMLLSQO-ILXRZTDVSA-N 3 0 265.445 1.839 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCC2=CC[NH2+]CC2)[C@H]2CCC[C@@H]21 ZINC000423539698 277170461 /nfs/dbraw/zinc/17/04/61/277170461.db2.gz PCFRIFFAYNEGAY-PMPSAXMXSA-N 3 0 263.429 1.759 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(C3CC3)C2)[C@@H]2CCC[C@H]21 ZINC000353497019 277173004 /nfs/dbraw/zinc/17/30/04/277173004.db2.gz NSLSFUDCGIVWAQ-SYAUCNOPSA-N 2 0 263.429 1.686 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCN(C)C1CCCCC1 ZINC000422706481 277259954 /nfs/dbraw/zinc/25/99/54/277259954.db2.gz UJVJDSJRFYZCIP-AWEZNQCLSA-N 2 0 271.449 1.594 10 0 CDAERP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CC2CCCCC2)C[C@@]1(C)C[NH3+] ZINC000423977692 287959583 /nfs/dbraw/zinc/95/95/83/287959583.db2.gz XAAGQWUGMCXCAS-IVMMDQJWSA-N 2 0 281.444 1.727 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC[NH2+]1 ZINC000414706532 278011089 /nfs/dbraw/zinc/01/10/89/278011089.db2.gz YCVJLRIYDDXOGK-BZUAXINKSA-N 2 0 293.455 1.709 10 0 CDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H]2CC[C@@H](C)O2)CC1 ZINC000248965753 278289533 /nfs/dbraw/zinc/28/95/33/278289533.db2.gz QSOXVRYXWBESHN-LZWOXQAQSA-N 2 0 284.444 1.579 10 0 CDAERP CC[C@H]([NH2+]C1CCC(C[NH3+])CC1)[C@H](O)C(F)F ZINC000423159719 288034090 /nfs/dbraw/zinc/03/40/90/288034090.db2.gz PWEBWYCQKDQDKT-TVUZUIDESA-N 2 0 250.333 1.498 10 0 CDAERP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000091662575 288103786 /nfs/dbraw/zinc/10/37/86/288103786.db2.gz ISMJCKAQLJSOPA-QCODTGAPSA-N 2 0 281.444 1.168 10 0 CDAERP C[C@H](C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000248639713 279209789 /nfs/dbraw/zinc/20/97/89/279209789.db2.gz RAYJWIWIZZWHPP-BYGOPZEFSA-N 2 0 279.428 1.443 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000019484114 279313020 /nfs/dbraw/zinc/31/30/20/279313020.db2.gz CVIOJPJTBGGAJB-XGUBFFRZSA-N 2 0 279.428 1.508 10 0 CDAERP CC(C)[C@@H](C(=O)NC1CCC(C[NH+](C)C)CC1)[NH+](C)C ZINC000119824344 279372188 /nfs/dbraw/zinc/37/21/88/279372188.db2.gz FFVDZZKVMKUEAX-NRXISQOPSA-N 2 0 283.460 1.809 10 0 CDAERP CCN(CC[NH2+]CC(C)C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001668381759 1173407158 /nfs/dbraw/zinc/40/71/58/1173407158.db2.gz IOCOCZJWMBZGLB-ZDUSSCGKSA-N 2 0 255.406 1.175 10 0 CDAERP CC(C)[C@H](C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)[NH+](C)C ZINC000335328802 280147697 /nfs/dbraw/zinc/14/76/97/280147697.db2.gz FYIOTUNCKOJERT-HIFRSBDPSA-N 2 0 267.417 1.175 10 0 CDAERP CC(C)[C@H](CNC(=O)CC[C@H](C)[NH3+])[NH+]1CCC(C)CC1 ZINC000193298452 280241043 /nfs/dbraw/zinc/24/10/43/280241043.db2.gz NFKWUKBXTNWKII-GJZGRUSLSA-N 2 0 283.460 1.987 10 0 CDAERP Cc1ccc(C(=O)NCC[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000400544069 280777715 /nfs/dbraw/zinc/77/77/15/280777715.db2.gz VNINEQDMTIMJME-UKRRQHHQSA-N 2 0 275.396 1.312 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CCCCCC[NH3+] ZINC000094447096 288289791 /nfs/dbraw/zinc/28/97/91/288289791.db2.gz NMBUIRMOKMDONE-HUUCEWRRSA-N 2 0 281.444 1.981 10 0 CDAERP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000519815673 281042832 /nfs/dbraw/zinc/04/28/32/281042832.db2.gz WUSVYKVJSSIUFQ-MQYQWHSLSA-N 2 0 280.416 1.040 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCC[N@H+](C)C1CCCC1 ZINC000417505854 288321506 /nfs/dbraw/zinc/32/15/06/288321506.db2.gz LCGLJQXKYBFMQY-OCCSQVGLSA-N 2 0 282.432 1.158 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCC[NH2+]C1CCCCCC1 ZINC000418447436 288321594 /nfs/dbraw/zinc/32/15/94/288321594.db2.gz PPOQRUGHAYNARS-HIFRSBDPSA-N 2 0 296.459 1.596 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000333633600 288321782 /nfs/dbraw/zinc/32/17/82/288321782.db2.gz HAHHGLNTWAISDG-OLZOCXBDSA-N 2 0 282.432 1.016 10 0 CDAERP CC1(NC(=O)c2ccc3c(c2)CC[NH2+]CC3)CC[NH2+]CC1 ZINC000336462355 281590199 /nfs/dbraw/zinc/59/01/99/281590199.db2.gz BSSNIEYYCOXMGK-UHFFFAOYSA-N 2 0 287.407 1.247 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000532754368 282033414 /nfs/dbraw/zinc/03/34/14/282033414.db2.gz MZTJWKBUYXAPPM-MOKVOYLWSA-N 2 0 267.417 1.175 10 0 CDAERP C[NH+](C)CC[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)C(C)(C)C ZINC000116537893 289178600 /nfs/dbraw/zinc/17/86/00/289178600.db2.gz DVGPIIJACDQIAP-UONOGXRCSA-N 2 0 298.475 1.746 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000422901403 289733669 /nfs/dbraw/zinc/73/36/69/289733669.db2.gz BYPPAOYELFCZKD-GUTXKFCHSA-N 2 0 277.412 1.401 10 0 CDAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@]1(CCO)CCOC1 ZINC000422892117 289735425 /nfs/dbraw/zinc/73/54/25/289735425.db2.gz XLXQKUYXIHVQGQ-BZUAXINKSA-N 2 0 284.444 1.676 10 0 CDAERP C[N@@H+]1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)C2(CCCCC2)C1 ZINC000178863997 290021827 /nfs/dbraw/zinc/02/18/27/290021827.db2.gz JEEJTUWVXZUCPH-KGLIPLIRSA-N 2 0 279.428 1.591 10 0 CDAERP [NH3+]Cc1ccc(-c2noc([C@@H]3CCO[C@@H]3C[NH3+])n2)cc1 ZINC000563117954 293280161 /nfs/dbraw/zinc/28/01/61/293280161.db2.gz DGVYYXKCYUWFPB-VXGBXAGGSA-N 2 0 274.324 1.027 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)N1CC[NH+]2CCC1CC2 ZINC000568645598 294076847 /nfs/dbraw/zinc/07/68/47/294076847.db2.gz UQZBLCOGQYSWDH-UHFFFAOYSA-N 2 0 273.380 1.108 10 0 CDAERP Cc1cc(C)n2c(C[NH+]3CCC(CC[NH3+])CC3)cnc2n1 ZINC000568889241 294121077 /nfs/dbraw/zinc/12/10/77/294121077.db2.gz QBYQYQMZKZKXDK-UHFFFAOYSA-N 2 0 287.411 1.907 10 0 CDAERP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CC1(O)Cc2ccccc2C1 ZINC000570709429 294293738 /nfs/dbraw/zinc/29/37/38/294293738.db2.gz XNUUMXAXYSWPEE-HOTGVXAUSA-N 2 0 274.408 1.766 10 0 CDAERP [NH3+]CC12CCC(CC1)CN2C(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000571221287 294391687 /nfs/dbraw/zinc/39/16/87/294391687.db2.gz DZNDPFPAJKOKLU-QJNCVLDKSA-N 2 0 291.439 1.637 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000571222402 294391806 /nfs/dbraw/zinc/39/18/06/294391806.db2.gz CTUXNHGEPNYYAP-ZIAGYGMSSA-N 2 0 265.401 1.025 10 0 CDAERP CC(C)C[C@@H]([NH3+])c1noc([C@H]2CC23CC[NH2+]CC3)n1 ZINC000573119577 294757839 /nfs/dbraw/zinc/75/78/39/294757839.db2.gz DKCWHASKMXYMKB-GHMZBOCLSA-N 2 0 264.373 1.973 10 0 CDAERP [NH3+]CCCNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000416813353 295230929 /nfs/dbraw/zinc/23/09/29/295230929.db2.gz FXSSINJWAWHCOM-LBPRGKRZSA-N 2 0 280.372 1.065 10 0 CDAERP CSCC[C@H]([NH3+])C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000378236494 295604393 /nfs/dbraw/zinc/60/43/93/295604393.db2.gz YMUIWYASKGJQSD-AVGNSLFASA-N 2 0 285.457 1.057 10 0 CDAERP C[C@H](CC(=O)N1CCC([NH+](C)C)CC1)[C@H]1CCC[NH2+]C1 ZINC000156005473 298286194 /nfs/dbraw/zinc/28/61/94/298286194.db2.gz RNMBGSHNLXUGHP-KGLIPLIRSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000453315128 298325566 /nfs/dbraw/zinc/32/55/66/298325566.db2.gz IWZYWSKWJOQUFG-RQJABVFESA-N 2 0 254.418 1.998 10 0 CDAERP C[C@H]([NH3+])c1ccc(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000335500148 299001707 /nfs/dbraw/zinc/00/17/07/299001707.db2.gz MWOFEZSFQYKLMU-GUYCJALGSA-N 2 0 287.407 1.922 10 0 CDAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261693218 300318874 /nfs/dbraw/zinc/31/88/74/300318874.db2.gz HTXVBXLADOCCJJ-RFQIPJPRSA-N 2 0 265.401 1.057 10 0 CDAERP [NH3+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261697967 303389175 /nfs/dbraw/zinc/38/91/75/303389175.db2.gz FIIMSZZZXSZTKK-JHJVBQTASA-N 2 0 253.390 1.091 10 0 CDAERP C[N@H+](CC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CCF)C1CCC1 ZINC001669955045 1173638325 /nfs/dbraw/zinc/63/83/25/1173638325.db2.gz DZNXYJMIZOGXFH-ZFWWWQNUSA-N 2 0 299.434 1.705 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC001669979042 1173638919 /nfs/dbraw/zinc/63/89/19/1173638919.db2.gz ANDWQDSIESOBRB-GJZGRUSLSA-N 2 0 281.444 1.757 10 0 CDAERP C[NH2+]C1CCN(C(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000179137332 315970611 /nfs/dbraw/zinc/97/06/11/315970611.db2.gz AVMNOPDZGSBVBJ-DOMZBBRYSA-N 2 0 275.396 1.533 10 0 CDAERP CCn1ccnc1CNC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000563850758 316382491 /nfs/dbraw/zinc/38/24/91/316382491.db2.gz AZVFNAQJDVAFJB-LBPRGKRZSA-N 2 0 279.388 1.139 10 0 CDAERP CC[C@H](C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)[NH+](CC)CC ZINC000564216070 316435883 /nfs/dbraw/zinc/43/58/83/316435883.db2.gz YYLMAQZTBSWHIT-ZBFHGGJFSA-N 2 0 281.444 1.709 10 0 CDAERP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)CC1 ZINC000566120438 316483012 /nfs/dbraw/zinc/48/30/12/316483012.db2.gz KQRKWUGNDCMRCR-BBWFWOEESA-N 2 0 295.471 1.153 10 0 CDAERP CC[NH+](CC)CC(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000575747944 317006479 /nfs/dbraw/zinc/00/64/79/317006479.db2.gz DCNHBGGGAGPSHZ-CABCVRRESA-N 2 0 297.443 1.073 10 0 CDAERP CN(C(=O)CC[C@@H]1CCCC[N@@H+]1C)C1CC[NH2+]CC1 ZINC000576517834 317153387 /nfs/dbraw/zinc/15/33/87/317153387.db2.gz SUDQSMXQZPAEJB-ZDUSSCGKSA-N 2 0 267.417 1.461 10 0 CDAERP CC(C)C[C@H]([NH3+])c1noc([C@H]2C[C@@]23CC[NH2+]C3)n1 ZINC000577750580 317398571 /nfs/dbraw/zinc/39/85/71/317398571.db2.gz MOICHPOVZBWKOY-GBIKHYSHSA-N 2 0 250.346 1.583 10 0 CDAERP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@H](CC[NH2+]CCF)C1 ZINC001672795605 1173801737 /nfs/dbraw/zinc/80/17/37/1173801737.db2.gz GBZFEJZUSGOIHC-DZGCQCFKSA-N 2 0 297.418 1.126 10 0 CDAERP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000578618659 323977473 /nfs/dbraw/zinc/97/74/73/323977473.db2.gz LEMZEXUTKXXGMX-ZMSDIMECSA-N 2 0 293.455 1.886 10 0 CDAERP CC[NH2+]Cc1ccccc1NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000579221826 324130854 /nfs/dbraw/zinc/13/08/54/324130854.db2.gz AEFDVJJGPCLGIZ-CYBMUJFWSA-N 2 0 277.368 1.113 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC000580092474 324369108 /nfs/dbraw/zinc/36/91/08/324369108.db2.gz HVSIEIZYXIRGJU-GDBMZVCRSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H]([NH2+]CC(C)(C)N1CCOCC1)[C@@H]1CCC[NH2+]C1 ZINC000582295359 324947787 /nfs/dbraw/zinc/94/77/87/324947787.db2.gz CKDMWIKORIECBA-UONOGXRCSA-N 2 0 269.433 1.075 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)c2ccccc2CC[NH3+])CC[N@@H+]1C ZINC000582972600 325081049 /nfs/dbraw/zinc/08/10/49/325081049.db2.gz UZQLXNHTHWVEQR-UKRRQHHQSA-N 2 0 289.423 1.743 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)CC(F)(F)CN)CC1 ZINC000583150853 325117519 /nfs/dbraw/zinc/11/75/19/325117519.db2.gz PJTFHMUNAWKRAO-UHFFFAOYSA-N 2 0 277.359 1.207 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001267220741 1159186063 /nfs/dbraw/zinc/18/60/63/1159186063.db2.gz FFCXIHLKDUWQJS-UONOGXRCSA-N 2 0 267.417 1.460 10 0 CDAERP CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CCCC[NH+](C)C)C1 ZINC001731559774 1159304124 /nfs/dbraw/zinc/30/41/24/1159304124.db2.gz RMTJFMOJCDOAML-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CN(CC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)C(=O)CC[NH+](C)C ZINC001691461636 1159322373 /nfs/dbraw/zinc/32/23/73/1159322373.db2.gz KKTCZIUFSHWAHN-KFWWJZLASA-N 2 0 281.444 1.422 10 0 CDAERP C[NH+](C)CC1(C(=O)N2CC[C@@H](C[NH2+]C/C=C\Cl)C2)CC1 ZINC001731667148 1159324250 /nfs/dbraw/zinc/32/42/50/1159324250.db2.gz JQRVRYZNAQZJNB-QTEJZOKPSA-N 2 0 299.846 1.519 10 0 CDAERP CC(C)=CC[NH+]1CC(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001267701271 1159571274 /nfs/dbraw/zinc/57/12/74/1159571274.db2.gz OIQCGVCRLISFEO-HUUCEWRRSA-N 2 0 293.455 1.873 10 0 CDAERP C[NH+]1CCC(C)(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC000897346432 1160363975 /nfs/dbraw/zinc/36/39/75/1160363975.db2.gz SFWYMSOZAVGFRB-INIZCTEOSA-N 2 0 279.428 1.320 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000652291747 482459074 /nfs/dbraw/zinc/45/90/74/482459074.db2.gz GKDJXFSSMLVTBM-CHWSQXEVSA-N 2 0 290.411 1.298 10 0 CDAERP CC[C@@H]1CN(C(=O)[C@H]2[NH2+]CCCC2(C)C)CC[C@@H]1[NH3+] ZINC000669516250 482540502 /nfs/dbraw/zinc/54/05/02/482540502.db2.gz ZXMXCQCNAZAHBW-FRRDWIJNSA-N 2 0 267.417 1.350 10 0 CDAERP CN1CCN(C(=O)C[NH2+][C@@H]2CC[C@@H]2C(C)(C)C)CC1 ZINC000672602898 482579765 /nfs/dbraw/zinc/57/97/65/482579765.db2.gz RWPUGTQVXGPLRE-QWHCGFSZSA-N 2 0 267.417 1.175 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000236770841 482611259 /nfs/dbraw/zinc/61/12/59/482611259.db2.gz MUNZYUJFLFAPMG-KGLIPLIRSA-N 2 0 267.417 1.352 10 0 CDAERP C[C@H](CO)C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000684211632 482705087 /nfs/dbraw/zinc/70/50/87/482705087.db2.gz GKVZSJZXGPZTQP-BHYGNILZSA-N 2 0 274.408 1.679 10 0 CDAERP CO[C@@H]1CCC[C@H]([NH2+]CCCC[NH+]2CCN(C)CC2)C1 ZINC000684368885 482776689 /nfs/dbraw/zinc/77/66/89/482776689.db2.gz FUTFMWFEOQIVGK-JKSUJKDBSA-N 2 0 283.460 1.561 10 0 CDAERP C[C@@H]1CCC[C@](CNC(=O)NC/C=C\C[NH3+])([NH+](C)C)C1 ZINC000669402883 482885953 /nfs/dbraw/zinc/88/59/53/482885953.db2.gz SPWGISWGXABEMV-DTJRNEMCSA-N 2 0 282.432 1.311 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)NCC[NH2+]C2CCCCCC2)C1 ZINC000669403084 482887051 /nfs/dbraw/zinc/88/70/51/482887051.db2.gz INVVAFHBAXQHMZ-OAHLLOKOSA-N 2 0 296.459 1.692 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](C[NH3+])CC(C)C)C1 ZINC000088277876 482929536 /nfs/dbraw/zinc/92/95/36/482929536.db2.gz QJDPQDDJRHPYAQ-UONOGXRCSA-N 2 0 269.433 1.598 10 0 CDAERP CC[NH+](CC)[C@H](CNC(=O)NC/C=C/C[NH3+])c1ccco1 ZINC000669418809 483022007 /nfs/dbraw/zinc/02/20/07/483022007.db2.gz NJMKEXVHLPAASK-URWSZGRFSA-N 2 0 294.399 1.477 10 0 CDAERP Cc1nc(CC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cs1 ZINC000667023740 483055805 /nfs/dbraw/zinc/05/58/05/483055805.db2.gz IXINBIRFOAYVHF-CMPLNLGQSA-N 2 0 253.415 1.972 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089450912 483077284 /nfs/dbraw/zinc/07/72/84/483077284.db2.gz QELNILCBEOBCLP-OCCSQVGLSA-N 2 0 267.417 1.304 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H]1CC2CCC1CC2 ZINC000311079648 483207447 /nfs/dbraw/zinc/20/74/47/483207447.db2.gz OBJIQMKDTZPNSX-CVSAEHQPSA-N 2 0 254.418 1.856 10 0 CDAERP C[NH+]1CCC[C@H]2CN(C(=O)N[C@H]3CCC[N@@H+](C)C3)CC[C@@H]21 ZINC000675962060 483386735 /nfs/dbraw/zinc/38/67/35/483386735.db2.gz AVFHZJDVFSJRDU-KKUMJFAQSA-N 2 0 294.443 1.206 10 0 CDAERP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000667869261 483465454 /nfs/dbraw/zinc/46/54/54/483465454.db2.gz VIIYTQJWVXVXJN-PMPSAXMXSA-N 2 0 282.428 1.380 10 0 CDAERP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000680499249 483640067 /nfs/dbraw/zinc/64/00/67/483640067.db2.gz JHRJVIRTMKONCB-DZGCQCFKSA-N 2 0 296.459 1.452 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)NCCC[NH+]1CCCCC1 ZINC000061288684 519904906 /nfs/dbraw/zinc/90/49/06/519904906.db2.gz DXIDVDGLFKFXMD-UHFFFAOYSA-N 2 0 255.406 1.367 10 0 CDAERP CC[NH2+]CC1(C[NH+]2CCC(OC)CC2)CCOCC1 ZINC000052181513 519912966 /nfs/dbraw/zinc/91/29/66/519912966.db2.gz GZZIVRHNKBEWNV-UHFFFAOYSA-N 2 0 270.417 1.504 10 0 CDAERP CCC[NH2+][C@@H](C)C1CC[NH+](C[C@@H](O)COC)CC1 ZINC000069053288 519985561 /nfs/dbraw/zinc/98/55/61/519985561.db2.gz LRPRXIITHVQKOL-GXTWGEPZSA-N 2 0 258.406 1.094 10 0 CDAERP CCC[NH2+][C@](C)(CCCN1CCC[C@@H]1C[NH+](C)C)C(N)=O ZINC000061652880 520104465 /nfs/dbraw/zinc/10/44/65/520104465.db2.gz BJRIXRSVBZGCBL-GDBMZVCRSA-N 2 0 298.475 1.036 10 0 CDAERP CCO[C@@H](C[NH3+])CC[N@H+](C)CCc1ccccn1 ZINC000062740783 520306548 /nfs/dbraw/zinc/30/65/48/520306548.db2.gz RCDQKDNENDSKPE-CQSZACIVSA-N 2 0 251.374 1.310 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001712972344 1178278199 /nfs/dbraw/zinc/27/81/99/1178278199.db2.gz UUHOKEISKIQESW-GJZGRUSLSA-N 2 0 283.460 1.812 10 0 CDAERP CCOC(=O)[C@@](C)([NH3+])CCC[N@H+](CC)CC1CC1 ZINC000069239443 521153241 /nfs/dbraw/zinc/15/32/41/521153241.db2.gz MUEYGHVECVJIRJ-AWEZNQCLSA-N 2 0 256.390 1.779 10 0 CDAERP CCCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CC)C1 ZINC001713722807 1178722286 /nfs/dbraw/zinc/72/22/86/1178722286.db2.gz UTVLOSNOJUEEAT-KGLIPLIRSA-N 2 0 267.417 1.271 10 0 CDAERP CN(C)C[C@H]1CCC[N@@H+]1C[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000061653639 521867796 /nfs/dbraw/zinc/86/77/96/521867796.db2.gz YTZOAHBZTNHNIU-ZNMIVQPWSA-N 2 0 253.434 1.920 10 0 CDAERP C[C@@H](C[NH2+]CCC1CC1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001716452951 1180217959 /nfs/dbraw/zinc/21/79/59/1180217959.db2.gz SBPNYKMPBNDEKM-OLZOCXBDSA-N 2 0 267.417 1.223 10 0 CDAERP CC[NH2+]CCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001731960397 1182699828 /nfs/dbraw/zinc/69/98/28/1182699828.db2.gz FSSJGHFFEXYMCZ-QWHCGFSZSA-N 2 0 253.390 1.071 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC[C@@H](O)C[NH+]1CCCC1 ZINC000049555644 519340932 /nfs/dbraw/zinc/34/09/32/519340932.db2.gz VGKLNVFLOCLXTP-HUUCEWRRSA-N 2 0 271.449 1.009 10 0 CDAERP CC(C)[N@@H+]1CC[C@@](C[NH3+])(N2CCC(C[NH+](C)C)CC2)C1 ZINC000045658926 519688628 /nfs/dbraw/zinc/68/86/28/519688628.db2.gz AYAOTQYPYWBUKN-INIZCTEOSA-N 3 0 282.476 1.072 10 0 CDAERP CC(C)[NH2+]CC1(C[N@@H+]2CCC[C@@H](CO)C2)CCOCC1 ZINC000052180490 519719583 /nfs/dbraw/zinc/71/95/83/519719583.db2.gz JIKYXOAJPSWSDC-OAHLLOKOSA-N 2 0 284.444 1.486 10 0 CDAERP CC(C)[NH2+]CC1(CN2CCC([NH+](C)C)CC2)CCOCC1 ZINC000052181710 519719696 /nfs/dbraw/zinc/71/96/96/519719696.db2.gz ZDKHTQOVEQYBBZ-UHFFFAOYSA-N 2 0 297.487 1.807 10 0 CDAERP CC(C)[NH2+]CC1(CN2CC[NH+](C(C)C)CC2)CCOCC1 ZINC000052181852 519719900 /nfs/dbraw/zinc/71/99/00/519719900.db2.gz NBAXUGLADWIVCG-UHFFFAOYSA-N 2 0 297.487 1.807 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CCN(CC[NH+]2CCCCC2)C1 ZINC000053033071 519723471 /nfs/dbraw/zinc/72/34/71/519723471.db2.gz VYTIIOQVRTVRCH-HNNXBMFYSA-N 2 0 253.434 1.792 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CC[C@H](C[NH+]2CCC(C[NH+](C)C)CC2)O1 ZINC000052515454 519723781 /nfs/dbraw/zinc/72/37/81/519723781.db2.gz MKNKRPXWTXCGAS-DLBZAZTESA-N 3 0 297.487 1.806 10 0 CDAERP CC(C)C[NH+]1CCN(CC2([NH3+])CCCCC2)CC1 ZINC000055083690 519725479 /nfs/dbraw/zinc/72/54/79/519725479.db2.gz GGGPVPLULBANRH-UHFFFAOYSA-N 2 0 253.434 1.922 10 0 CDAERP CC(C)[NH2+][C@](C)(C[C@@H](C)N1CC[NH+](C(C)C)CC1)C(N)=O ZINC000068625852 519740164 /nfs/dbraw/zinc/74/01/64/519740164.db2.gz CDJLYLFNCGYWNT-GDBMZVCRSA-N 2 0 298.475 1.033 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC[C@H](O)C[NH+]1CCCC1 ZINC000049555641 519775662 /nfs/dbraw/zinc/77/56/62/519775662.db2.gz VGKLNVFLOCLXTP-GJZGRUSLSA-N 2 0 271.449 1.009 10 0 CDAERP CCC[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C)CC1 ZINC000055124562 519856415 /nfs/dbraw/zinc/85/64/15/519856415.db2.gz JCBKVUIKDMBGDD-MGPQQGTHSA-N 2 0 267.417 1.304 10 0 CDAERP CCC[NH+]1CCN(CCCC2CC[NH2+]CC2)CC1 ZINC000050952446 519857790 /nfs/dbraw/zinc/85/77/90/519857790.db2.gz UONWDBOTXNSJJW-UHFFFAOYSA-N 2 0 253.434 1.794 10 0 CDAERP CCOCCC[NH2+]C[C@@H](C)N1CCC[C@@H]1C[NH+](C)C ZINC000061655146 519896660 /nfs/dbraw/zinc/89/66/60/519896660.db2.gz OUIBXRWXDRMJRW-HUUCEWRRSA-N 2 0 271.449 1.417 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000061298345 519905002 /nfs/dbraw/zinc/90/50/02/519905002.db2.gz SRVCTUPCFBCUHA-AWEZNQCLSA-N 2 0 277.412 1.794 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)Nc1cnn(CC[NH+](CC)CC)c1 ZINC000061293881 519907987 /nfs/dbraw/zinc/90/79/87/519907987.db2.gz YLXBWLSJVUPNBW-UHFFFAOYSA-N 2 0 295.431 1.552 10 0 CDAERP CC[NH2+]CC1(C[N@@H+]2CCC[C@H](CO)C2)CCOCC1 ZINC000052180482 519912459 /nfs/dbraw/zinc/91/24/59/519912459.db2.gz MVKMSSQHXPCWBP-AWEZNQCLSA-N 2 0 270.417 1.097 10 0 CDAERP CC[NH2+]CCC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000061296511 519915761 /nfs/dbraw/zinc/91/57/61/519915761.db2.gz NREPUWOJYAEQOT-ZDUSSCGKSA-N 2 0 253.390 1.073 10 0 CDAERP CC[NH2+]CCC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000061298553 519916218 /nfs/dbraw/zinc/91/62/18/519916218.db2.gz NZZLHPYNGUZIRC-NSHDSACASA-N 2 0 269.414 1.467 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000061230459 519937111 /nfs/dbraw/zinc/93/71/11/519937111.db2.gz OFJWLAZWPBJXBO-OLZOCXBDSA-N 2 0 257.422 1.325 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@@H](C[N@@H+]2CCOCC2(C)C)O1 ZINC000052546190 519938269 /nfs/dbraw/zinc/93/82/69/519938269.db2.gz JQMKFWZMKUWDNG-KGLIPLIRSA-N 2 0 270.417 1.644 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@H](CN2CC[NH+](CC(C)C)CC2)O1 ZINC000055082793 519981390 /nfs/dbraw/zinc/98/13/90/519981390.db2.gz ARJSULVZJUNVFJ-HZPDHXFCSA-N 2 0 283.460 1.417 10 0 CDAERP CC[NH2+][C@H](C)c1cnc(N2CCC[N@H+](C)CC2)s1 ZINC000054899134 520181171 /nfs/dbraw/zinc/18/11/71/520181171.db2.gz NWHSIGCKWNMHAE-LLVKDONJSA-N 2 0 268.430 1.956 10 0 CDAERP CCCC[N@H+](CC)CCn1cc(C[NH2+]C2CC2)nn1 ZINC000052418780 520479651 /nfs/dbraw/zinc/47/96/51/520479651.db2.gz CXAHQXAJYPFHQP-UHFFFAOYSA-N 2 0 265.405 1.652 10 0 CDAERP CC[NH+](CC)CCOC[C@H]1CC[C@@H](C[NH2+]C(C)C)O1 ZINC000052672021 520693534 /nfs/dbraw/zinc/69/35/34/520693534.db2.gz SXVAKQWJPYWOBI-LSDHHAIUSA-N 2 0 272.433 1.890 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)C1(CC)CC[NH2+]CC1 ZINC000062850167 520713698 /nfs/dbraw/zinc/71/36/98/520713698.db2.gz SJIBNBPGTYPQAF-CYBMUJFWSA-N 2 0 269.433 1.613 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054292466 520716477 /nfs/dbraw/zinc/71/64/77/520716477.db2.gz HJOQILSDZVJUSD-OLZOCXBDSA-N 2 0 255.406 1.223 10 0 CDAERP CC[NH+]1CCC(N(C)[C@@H](C)CC[NH2+]C2CC2)CC1 ZINC000052544081 521567389 /nfs/dbraw/zinc/56/73/89/521567389.db2.gz BBTRMSMXJGRFFS-ZDUSSCGKSA-N 2 0 253.434 1.933 10 0 CDAERP CCC[N@H+](CCn1cc(C[NH2+]C(C)C)nn1)C(C)C ZINC000052450403 521674579 /nfs/dbraw/zinc/67/45/79/521674579.db2.gz GEHJHJBWMZFHHF-UHFFFAOYSA-N 2 0 267.421 1.897 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1[C@@H](C[NH3+])c1ccsc1 ZINC000061641960 521842882 /nfs/dbraw/zinc/84/28/82/521842882.db2.gz OLWBQMPJHJEPRG-STQMWFEESA-N 2 0 253.415 1.774 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)CCCCCC[NH3+] ZINC000061645047 521862421 /nfs/dbraw/zinc/86/24/21/521862421.db2.gz WGVJQSSNSOHFHE-CYBMUJFWSA-N 2 0 255.406 1.448 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)c1cccc(CC[NH3+])c1 ZINC000061642271 521866180 /nfs/dbraw/zinc/86/61/80/521866180.db2.gz HZQBPGCMNRYALN-OAHLLOKOSA-N 2 0 275.396 1.354 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1Cc1ccccc1C(N)=[NH2+] ZINC000061644681 521871483 /nfs/dbraw/zinc/87/14/83/521871483.db2.gz IHSRCEVWJBENNL-CYBMUJFWSA-N 2 0 260.385 1.497 10 0 CDAERP CCc1ccccc1[C@@H](C[NH3+])N1CC[NH+](CC)CC1 ZINC000052203373 521933163 /nfs/dbraw/zinc/93/31/63/521933163.db2.gz RQHHOLKQHNLYPA-MRXNPFEDSA-N 2 0 261.413 1.886 10 0 CDAERP C[NH+](C)[C@@H]1CCN(c2cc(C[NH3+])c3ccccc3n2)C1 ZINC000062971161 522056122 /nfs/dbraw/zinc/05/61/22/522056122.db2.gz GYPHOQQVCZCXRL-CYBMUJFWSA-N 2 0 270.380 1.834 10 0 CDAERP C[NH2+]Cc1ccc(CN2CC[NH+](C(C)C)CC2)cc1 ZINC000052480108 522116941 /nfs/dbraw/zinc/11/69/41/522116941.db2.gz GRRGBNHPPYPXGU-UHFFFAOYSA-N 2 0 261.413 1.932 10 0 CDAERP C[NH2+]Cc1ccc(C[N@H+](C)C2CCN(C)CC2)cc1 ZINC000052419899 522117083 /nfs/dbraw/zinc/11/70/83/522117083.db2.gz NHWNSBSYBISRQL-UHFFFAOYSA-N 2 0 261.413 1.932 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C2(C[NH3+])Cc3ccccc3C2)CC1 ZINC000055064326 522119665 /nfs/dbraw/zinc/11/96/65/522119665.db2.gz WEZCJGTUDLEHPW-OAHLLOKOSA-N 2 0 287.451 1.899 10 0 CDAERP CC[C@@H](C)[NH+]1CCN([C@H](C[NH3+])C2CCCC2)CC1 ZINC000055064367 522130680 /nfs/dbraw/zinc/13/06/80/522130680.db2.gz RAZZOIKKOQMELN-UKRRQHHQSA-N 2 0 253.434 1.920 10 0 CDAERP C[NH2+]Cc1ccccc1CN1CCC([NH+](C)C)CC1 ZINC000052477831 522132992 /nfs/dbraw/zinc/13/29/92/522132992.db2.gz BMEUSIVNWBSKPH-UHFFFAOYSA-N 2 0 261.413 1.932 10 0 CDAERP [NH3+]CCCNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000417805626 534614682 /nfs/dbraw/zinc/61/46/82/534614682.db2.gz HTSJVOJWRUZOEW-UHFFFAOYSA-N 2 0 282.432 1.432 10 0 CDAERP C[NH2+][C@@H]1CCCCC[C@@H]1N1CCC[C@@H]1C[NH+](C)C ZINC000061643414 522377316 /nfs/dbraw/zinc/37/73/16/522377316.db2.gz BGTIDMKRVFPXHD-KFWWJZLASA-N 2 0 253.434 1.933 10 0 CDAERP CC[C@@H]([NH3+])[C@@H](c1ccccn1)N1CCC[C@@H]1C[NH+](C)C ZINC000061642208 522648522 /nfs/dbraw/zinc/64/85/22/522648522.db2.gz XIBBMFDIEXWSLR-FMKPAKJESA-N 2 0 276.428 1.886 10 0 CDAERP C[N@H+](CCCNC(=O)[C@H]1CC[C@@H]([NH3+])C1)C1CCCCC1 ZINC000227805500 522764731 /nfs/dbraw/zinc/76/47/31/522764731.db2.gz XWFDUTVCLFLERM-UONOGXRCSA-N 2 0 281.444 1.885 10 0 CDAERP C[N@@H+]1CCCN(C(=O)CCC2CCC([NH3+])CC2)CC1 ZINC000055124352 523800449 /nfs/dbraw/zinc/80/04/49/523800449.db2.gz NQXIQIMXWDCNRW-UHFFFAOYSA-N 2 0 267.417 1.448 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)CCC[NH2+]C(C)C)CC1 ZINC000055078106 523947902 /nfs/dbraw/zinc/94/79/02/523947902.db2.gz FEUXNLRRECOFIU-AWEZNQCLSA-N 2 0 269.433 1.707 10 0 CDAERP COCC[NH2+]Cc1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000062734211 523950182 /nfs/dbraw/zinc/95/01/82/523950182.db2.gz RVBNKKNULLRYCA-UHFFFAOYSA-N 2 0 281.375 1.314 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C2(C[NH3+])CC[NH+](C(C)C)CC2)CC1 ZINC000055064625 523953236 /nfs/dbraw/zinc/95/32/36/523953236.db2.gz HEOJHGVDLLWXIB-INIZCTEOSA-N 3 0 296.503 1.604 10 0 CDAERP CC[C@H](C)[NH+]1CCN([C@@H](c2ccncc2)[C@@H](C)[NH3+])CC1 ZINC000055064115 523957938 /nfs/dbraw/zinc/95/79/38/523957938.db2.gz KBQFEECKBWMDGF-SQWLQELKSA-N 2 0 276.428 1.886 10 0 CDAERP CC[C@H](C)[NH+]1CCN([C@H](C[NH3+])c2ccccn2)CC1 ZINC000055063682 523959383 /nfs/dbraw/zinc/95/93/83/523959383.db2.gz MSJDPBDCZSEPJF-DZGCQCFKSA-N 2 0 262.401 1.498 10 0 CDAERP C[NH+](C)CC(C)(C)CNC(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000055086614 524046286 /nfs/dbraw/zinc/04/62/86/524046286.db2.gz JLNAPWYGCGMULT-NWDGAFQWSA-N 2 0 255.406 1.208 10 0 CDAERP COc1cccc([C@@H]([NH3+])CN(C)[C@@H]2CCC[N@H+](C)C2)c1 ZINC000053244934 524099083 /nfs/dbraw/zinc/09/90/83/524099083.db2.gz CCQGSNLGBYWDJZ-ZBFHGGJFSA-N 2 0 277.412 1.721 10 0 CDAERP C[C@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)N1CCC([NH+](C)C)CC1 ZINC000055128236 524145579 /nfs/dbraw/zinc/14/55/79/524145579.db2.gz QWTRJWUYGKWTLK-IACUBPJLSA-N 2 0 267.417 1.303 10 0 CDAERP Cc1cccc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)c1C ZINC000043315848 524375788 /nfs/dbraw/zinc/37/57/88/524375788.db2.gz OHKIVQOLWRKGCD-UHFFFAOYSA-N 2 0 275.396 1.167 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)C1CCC(C[NH3+])CC1 ZINC000055163327 524602916 /nfs/dbraw/zinc/60/29/16/524602916.db2.gz YABUWCIOIDZXRR-NFOMZHRRSA-N 2 0 281.444 1.742 10 0 CDAERP C[C@@H]1CC[C@H](C)C[C@H]1[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000068632501 524650899 /nfs/dbraw/zinc/65/08/99/524650899.db2.gz MKAPEQLIOLKFBQ-LJISPDSOSA-N 2 0 281.444 1.598 10 0 CDAERP C[C@H]1C[C@H](C(=O)NCC[NH+]2CCCCCC2)CC[C@@H]1[NH3+] ZINC000055136213 524868197 /nfs/dbraw/zinc/86/81/97/524868197.db2.gz KRWBRYKBIVLBBN-ZNMIVQPWSA-N 2 0 281.444 1.742 10 0 CDAERP C[C@H]1C[C@H]([NH3+])CC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC000055138679 524904329 /nfs/dbraw/zinc/90/43/29/524904329.db2.gz PYOMFYYEQOEXEF-CRWXNKLISA-N 2 0 267.417 1.350 10 0 CDAERP Cc1ccc([C@@H](C[NH3+])N2CCN(CC[NH+](C)C)CC2)s1 ZINC000061642361 525756579 /nfs/dbraw/zinc/75/65/79/525756579.db2.gz ALYGSJKVLOEPMF-CQSZACIVSA-N 2 0 296.484 1.236 10 0 CDAERP Cc1nc(N2CCC(C[NH+](C)C)CC2)sc1C[NH3+] ZINC000054999435 526963300 /nfs/dbraw/zinc/96/33/00/526963300.db2.gz DDUJIZLUPAOHKN-UHFFFAOYSA-N 2 0 268.430 1.688 10 0 CDAERP [NH3+]C1(CNC(=O)[C@@H]2CC23CC[NH2+]CC3)CCCCCC1 ZINC000237751096 527131739 /nfs/dbraw/zinc/13/17/39/527131739.db2.gz DLMDYRYCGXUCCF-ZDUSSCGKSA-N 2 0 279.428 1.544 10 0 CDAERP CC[NH2+][C@H](C)CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000417908875 528404093 /nfs/dbraw/zinc/40/40/93/528404093.db2.gz BYQUIMQAFOYVFW-IYXRBSQSSA-N 2 0 284.448 1.404 10 0 CDAERP CC(C)[C@@H](C[NH2+]C1CCC([NH3+])CC1)N1CCCC1 ZINC000094075573 535191161 /nfs/dbraw/zinc/19/11/61/535191161.db2.gz HGJFBMPFMDWEFI-YMAMQOFZSA-N 2 0 253.434 1.966 10 0 CDAERP CCN(CC)C(=O)C1CC[NH+](C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414693911 535397252 /nfs/dbraw/zinc/39/72/52/535397252.db2.gz RYAMOWDEBPWTTG-CABCVRRESA-N 2 0 295.471 1.955 10 0 CDAERP C[NH2+]CCc1ccccc1C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000422534174 536446936 /nfs/dbraw/zinc/44/69/36/536446936.db2.gz ACWHAROZLHHUGI-WFASDCNBSA-N 2 0 275.396 1.176 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCc1cc(F)cc(F)c1 ZINC000234720466 536594584 /nfs/dbraw/zinc/59/45/84/536594584.db2.gz CIEHETJRVBDWAR-CQSZACIVSA-N 2 0 272.339 1.851 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCN1c2ccccc2C[C@H]1C ZINC000422765866 536594655 /nfs/dbraw/zinc/59/46/55/536594655.db2.gz PMQSOLFJVIEQFX-GDBMZVCRSA-N 2 0 291.439 1.781 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1cc(OC)ccc1OC ZINC000422808930 536597108 /nfs/dbraw/zinc/59/71/08/536597108.db2.gz QXEGKYGRHNGKNJ-CYBMUJFWSA-N 2 0 282.384 1.547 10 0 CDAERP COc1ccc([C@H](NCC2C[NH2+]C2)[C@H]2CCC[NH2+]2)cc1 ZINC000423339225 536930291 /nfs/dbraw/zinc/93/02/91/536930291.db2.gz ZJUPBYSLNFCRSU-CVEARBPZSA-N 2 0 275.396 1.297 10 0 CDAERP c1ccc(C[NH+]2CCN(CC[NH2+]C3CSC3)CC2)cc1 ZINC000396467616 574458971 /nfs/dbraw/zinc/45/89/71/574458971.db2.gz QEUHFCHGPAJHIS-UHFFFAOYSA-N 2 0 291.464 1.509 10 0 CDAERP FC(F)C1CC([NH2+]CCCC[NH+]2CCOCC2)C1 ZINC000768677872 576303492 /nfs/dbraw/zinc/30/34/92/576303492.db2.gz KLPWUKDAFICJFO-UHFFFAOYSA-N 2 0 262.344 1.732 10 0 CDAERP CC1(C)[C@H]([NH2+]C[C@@H]2CC[C@@H](O)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925648441 617591147 /nfs/dbraw/zinc/59/11/47/617591147.db2.gz BMMXVQRSNMESIP-XGFWRYKXSA-N 2 0 252.402 1.514 10 0 CDAERP CC(C)=CC[N@H+](C)CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001689807417 1175264333 /nfs/dbraw/zinc/26/43/33/1175264333.db2.gz UQDVLLHZFLUHAY-UHFFFAOYSA-N 2 0 281.444 1.875 10 0 CDAERP CC(C)C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001690015064 1175345587 /nfs/dbraw/zinc/34/55/87/1175345587.db2.gz ZDJBFCKPOUQACR-CQSZACIVSA-N 2 0 281.444 1.565 10 0 CDAERP CCC(CC)NC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CCOC ZINC000864456092 620923730 /nfs/dbraw/zinc/92/37/30/620923730.db2.gz BZDGRUVVTOEUDE-ZDUSSCGKSA-N 2 0 270.421 1.400 10 0 CDAERP CN1C[C@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)CCC1=O ZINC000925510658 617412505 /nfs/dbraw/zinc/41/25/05/617412505.db2.gz ZMPPCVRQJLLGQB-HUUCEWRRSA-N 2 0 275.396 1.677 10 0 CDAERP COCCOCCC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925518800 617429517 /nfs/dbraw/zinc/42/95/17/617429517.db2.gz KFRSBDLWTQJEAT-JKSUJKDBSA-N 2 0 284.444 1.797 10 0 CDAERP O=C1CCCCN1CCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925549522 617496820 /nfs/dbraw/zinc/49/68/20/617496820.db2.gz MKXQJRVCTYFZMV-AWEZNQCLSA-N 2 0 279.428 1.653 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925550321 617497357 /nfs/dbraw/zinc/49/73/57/617497357.db2.gz QXTRBBXDCGZPCZ-QLFBSQMISA-N 2 0 282.476 1.118 10 0 CDAERP C(COC[C@@H]1CCOC1)[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925567911 617516364 /nfs/dbraw/zinc/51/63/64/617516364.db2.gz RQDMUURZTYVKIG-HYVNUMGLSA-N 2 0 296.455 1.797 10 0 CDAERP O[C@H](CN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1)C[NH+]1CCCC1 ZINC000925614409 617559529 /nfs/dbraw/zinc/55/95/29/617559529.db2.gz WTICSEUSZNJNKQ-ZACQAIPSSA-N 2 0 295.471 1.201 10 0 CDAERP CC1(C)[C@@H]([NH2+][C@@H]2C=C[C@H](CO)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925617220 617562704 /nfs/dbraw/zinc/56/27/04/617562704.db2.gz WCKKGFLBYQOGGN-ZSLBOAEBSA-N 2 0 250.386 1.290 10 0 CDAERP C[C@H](CCO)C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925621780 617568240 /nfs/dbraw/zinc/56/82/40/617568240.db2.gz GFDMHMXFRUNSQD-SNPRPXQTSA-N 2 0 254.418 1.763 10 0 CDAERP [NH3+][C@H]1C[C@@H]([NH2+]CCc2cnc(C3CC3)nc2)C12CCC2 ZINC000925625229 617572165 /nfs/dbraw/zinc/57/21/65/617572165.db2.gz GZJDESZUPIZULF-UONOGXRCSA-N 2 0 272.396 1.756 10 0 CDAERP CC1(C)[C@H](N[C@@H]2CCC[N@H+](CCCO)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925678521 617648546 /nfs/dbraw/zinc/64/85/46/617648546.db2.gz FNPCFNBVDJALMB-LVQVYYBASA-N 2 0 295.471 1.199 10 0 CDAERP C[N@@H+]1C[C@@]2(C)CN(C[C@H](O)c3ccccn3)C[C@@]2(C)C1 ZINC000931319677 617717012 /nfs/dbraw/zinc/71/70/12/617717012.db2.gz YQZXKGULTLKSKT-HRCADAONSA-N 2 0 275.396 1.389 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H](NC[C@@]2(C)CCC[NH2+]C2)C1 ZINC000925699152 617737392 /nfs/dbraw/zinc/73/73/92/617737392.db2.gz NDLQVXDSUNCBLM-NFAWXSAZSA-N 2 0 253.434 1.872 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)C1 ZINC000925700567 617743958 /nfs/dbraw/zinc/74/39/58/617743958.db2.gz UMKBIRNZAGJEEE-CHWSQXEVSA-N 3 0 253.434 1.872 10 0 CDAERP COCC1(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC[NH2+]CC1 ZINC000925701232 617750550 /nfs/dbraw/zinc/75/05/50/617750550.db2.gz VYGBSLAZIIOKNF-ILXRZTDVSA-N 3 0 295.471 1.369 10 0 CDAERP COC(=O)C1=CC[C@H]([NH2+][C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925724191 617900466 /nfs/dbraw/zinc/90/04/66/617900466.db2.gz WXQOMYJPAFEGPJ-SRVKXCTJSA-N 2 0 250.342 1.108 10 0 CDAERP CCC[C@@H](CCO)[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925726128 617956922 /nfs/dbraw/zinc/95/69/22/617956922.db2.gz ZCMCGDXQPZXHDO-CRWXNKLISA-N 2 0 254.418 1.904 10 0 CDAERP CC(C)COC[C@@H](O)C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000923426429 618332129 /nfs/dbraw/zinc/33/21/29/618332129.db2.gz DKORQQLREIWJHG-JKSUJKDBSA-N 2 0 284.444 1.486 10 0 CDAERP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000894765410 619051454 /nfs/dbraw/zinc/05/14/54/619051454.db2.gz HRGQVNFHQZXZKF-MCIONIFRSA-N 2 0 268.401 1.648 10 0 CDAERP COC[C@@H](C)C[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000895556496 619725535 /nfs/dbraw/zinc/72/55/35/619725535.db2.gz JBHWYEMOGZLFEQ-UONOGXRCSA-N 2 0 263.385 1.875 10 0 CDAERP C[N@@H+]1CCN(Cc2ccnn2-c2cc[nH+]cc2)CC1(C)C ZINC000895564449 619729406 /nfs/dbraw/zinc/72/94/06/619729406.db2.gz FYOPCQIRORIPAE-UHFFFAOYSA-N 2 0 285.395 1.793 10 0 CDAERP CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC000896340440 620062245 /nfs/dbraw/zinc/06/22/45/620062245.db2.gz BGZBYGOTLZHVQW-RDJZCZTQSA-N 2 0 293.455 1.853 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902839173 625492690 /nfs/dbraw/zinc/49/26/90/625492690.db2.gz NRAJIQQFBJMTRE-VCCANDMLSA-N 2 0 296.455 1.746 10 0 CDAERP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccnnc2)CC1 ZINC000924657096 621637426 /nfs/dbraw/zinc/63/74/26/621637426.db2.gz FPIGHALYMVMCBS-OAHLLOKOSA-N 2 0 291.443 1.545 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCOC2CCOCC2)[C@@H]2CCC[C@H]21 ZINC000927076600 621686180 /nfs/dbraw/zinc/68/61/80/621686180.db2.gz KFZBSVUNWHMDCN-HRCADAONSA-N 2 0 282.428 1.644 10 0 CDAERP C[C@@H](C[NH2+][C@H]1CCOC12CCOCC2)C[NH+]1CCCC1 ZINC000924713798 621695940 /nfs/dbraw/zinc/69/59/40/621695940.db2.gz GGIZELUZPRETJP-GJZGRUSLSA-N 2 0 282.428 1.646 10 0 CDAERP CC(C)C[C@H](CNC(=[NH2+])N[C@H](C)C1CC1)[NH+](C)C ZINC000899266703 622131613 /nfs/dbraw/zinc/13/16/13/622131613.db2.gz VEBBPDRYLAEHNT-DGCLKSJQSA-N 2 0 254.422 1.875 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCNC(=O)[C@H]2c2ccccc2)C1 ZINC000903433063 625990933 /nfs/dbraw/zinc/99/09/33/625990933.db2.gz SOOSRTNAUILYJV-NWANDNLSSA-N 2 0 273.380 1.287 10 0 CDAERP CCCNC(=O)[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903434488 625991329 /nfs/dbraw/zinc/99/13/29/625991329.db2.gz FUTHXMCOIQGJLE-MCIONIFRSA-N 2 0 267.417 1.080 10 0 CDAERP Cc1cccc([C@H]2C(=O)NCC[N@H+]2C[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000903464351 625996923 /nfs/dbraw/zinc/99/69/23/625996923.db2.gz KFJKEKDFIHLFNB-KBMXLJTQSA-N 2 0 287.407 1.595 10 0 CDAERP CC(F)(F)CCC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000903449848 626000234 /nfs/dbraw/zinc/00/02/34/626000234.db2.gz ITGYSSUAUHVILD-GFCCVEGCSA-N 2 0 291.386 1.741 10 0 CDAERP COC(=O)CC[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)C[C@@H]1CCCO1 ZINC000903455522 626001948 /nfs/dbraw/zinc/00/19/48/626001948.db2.gz YJBAFRGHZBFMNI-RDBSUJKOSA-N 2 0 284.400 1.158 10 0 CDAERP [NH3+]C[C@@H]1CCCN(C[C@@H]2CC[C@H]([NH3+])C2)[C@@H]1C(F)(F)F ZINC000903474015 626004581 /nfs/dbraw/zinc/00/45/81/626004581.db2.gz FGAZSCVYRFFQMU-RHYQMDGZSA-N 2 0 279.350 1.715 10 0 CDAERP C(C[NH2+][C@@H]1CC[NH2+]C12CCCC2)COC[C@@H]1CCCO1 ZINC000903483515 626007008 /nfs/dbraw/zinc/00/70/08/626007008.db2.gz IIKXLOZALTZJHL-LSDHHAIUSA-N 2 0 282.428 1.836 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000903491008 626010578 /nfs/dbraw/zinc/01/05/78/626010578.db2.gz QSCXLPGXELNXGB-LZWOXQAQSA-N 2 0 274.364 1.399 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC[C@H]1CCCCO1)C2 ZINC000903493180 626011146 /nfs/dbraw/zinc/01/11/46/626011146.db2.gz NYPCBOPQZQUECL-NHIYQJMISA-N 2 0 296.411 1.158 10 0 CDAERP CC(C)(C)OC[C@H]1CCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000903564078 626020464 /nfs/dbraw/zinc/02/04/64/626020464.db2.gz PIKUVORATNVUMZ-CQSZACIVSA-N 2 0 269.433 1.171 10 0 CDAERP C([C@@H]1CCCC[NH2+]C1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000903751826 626073507 /nfs/dbraw/zinc/07/35/07/626073507.db2.gz MUSPFJZDMRROJT-HUUCEWRRSA-N 2 0 251.418 1.452 10 0 CDAERP C([C@H]1CCCC[N@@H+]1C[C@@H]1CCCC[NH2+]C1)N1CCOCC1 ZINC000903735463 626075977 /nfs/dbraw/zinc/07/59/77/626075977.db2.gz AJCLBFIMOAVFLI-IAGOWNOFSA-N 2 0 295.471 1.563 10 0 CDAERP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000903784062 626093240 /nfs/dbraw/zinc/09/32/40/626093240.db2.gz KJMROTCRMOGYMW-CRWXNKLISA-N 2 0 268.426 1.050 10 0 CDAERP C[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)CC1CCCC1 ZINC000903888434 626123779 /nfs/dbraw/zinc/12/37/79/626123779.db2.gz BXGKDAVKYUTGLE-AWEZNQCLSA-N 2 0 277.416 1.825 10 0 CDAERP CCOC1CC[NH+](C[C@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903883845 626132218 /nfs/dbraw/zinc/13/22/18/626132218.db2.gz KPWCHZWOSJYYOI-AWEZNQCLSA-N 2 0 294.443 1.347 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@H+](CC2CC2)C(C)C)cnn1C ZINC000903885304 626133024 /nfs/dbraw/zinc/13/30/24/626133024.db2.gz KSSIPNALPJUYNA-OAHLLOKOSA-N 2 0 278.444 1.966 10 0 CDAERP CCOC(=O)[C@@H](C)[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000903909191 626142719 /nfs/dbraw/zinc/14/27/19/626142719.db2.gz CNHGTAMSPWUAKT-RLAWYHOSSA-N 2 0 280.412 1.933 10 0 CDAERP CC(C)(C)S(=O)(=O)CC[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903922507 626147651 /nfs/dbraw/zinc/14/76/51/626147651.db2.gz YJLINNYGKHITQQ-YHWZYXNKSA-N 2 0 288.457 1.320 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[NH2+]CCc2cccs2)cnn1C ZINC000903924333 626148357 /nfs/dbraw/zinc/14/83/57/626148357.db2.gz CURZWSSPFYGONM-CYBMUJFWSA-N 2 0 292.452 1.740 10 0 CDAERP COC(=O)[C@H]1CSCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903929793 626150358 /nfs/dbraw/zinc/15/03/58/626150358.db2.gz LTGQTBLVUQOJRD-CPIKKWJDSA-N 2 0 298.452 1.355 10 0 CDAERP O=C1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCCCCN1 ZINC000903935119 626153404 /nfs/dbraw/zinc/15/34/04/626153404.db2.gz NLCJPFYVEPBNGD-MQVJKMGUSA-N 2 0 293.455 1.899 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[NH2+][C@]23C[C@H]2COC3(C)C)cnn1C ZINC000903935103 626153531 /nfs/dbraw/zinc/15/35/31/626153531.db2.gz MXNQAMPTZSHDMH-IVMMDQJWSA-N 2 0 292.427 1.003 10 0 CDAERP O=c1[nH]ccc2c1C[N@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000903916650 626157163 /nfs/dbraw/zinc/15/71/63/626157163.db2.gz UZERKWHLKRICPF-QXMXGUDHSA-N 2 0 273.380 1.676 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCc2sc(C[NH3+])nc2C1 ZINC000903943740 626162428 /nfs/dbraw/zinc/16/24/28/626162428.db2.gz BISRLLDHVUVZTL-JTQLQIEISA-N 2 0 268.430 1.333 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cccc(C(N)=O)c1 ZINC000903974228 626169179 /nfs/dbraw/zinc/16/91/79/626169179.db2.gz MMZPMBAVCFKURN-BXUZGUMPSA-N 2 0 261.369 1.121 10 0 CDAERP CCOC(=O)C(F)(F)[C@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903964936 626171917 /nfs/dbraw/zinc/17/19/17/626171917.db2.gz YFTWZJJMVISNJQ-NOOOWODRSA-N 2 0 290.354 1.551 10 0 CDAERP c1ccc(OCC2CC2)c(CN2CC[NH2+]CC[NH2+]CC2)c1 ZINC000904398214 626288335 /nfs/dbraw/zinc/28/83/35/626288335.db2.gz NRBCWDPICLZPIC-UHFFFAOYSA-N 2 0 289.423 1.470 10 0 CDAERP CC[NH+]1CCC(CNC(=[NH2+])NC[C@H]2CCCS2)CC1 ZINC000905041977 626381436 /nfs/dbraw/zinc/38/14/36/626381436.db2.gz MJROEVRUWZDMQE-CYBMUJFWSA-N 2 0 284.473 1.728 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CNC(=[NH2+])NC[C@@H]2CCCS2)C1 ZINC000905043711 626382943 /nfs/dbraw/zinc/38/29/43/626382943.db2.gz YJNPJNHWPKEWQK-STQMWFEESA-N 2 0 284.473 1.726 10 0 CDAERP C[NH2+][C@@H](CC(C)C)c1nc(CC2CC[NH2+]CC2)no1 ZINC000905308589 626758132 /nfs/dbraw/zinc/75/81/32/626758132.db2.gz NIQMQOOBADXJDA-LBPRGKRZSA-N 2 0 266.389 1.918 10 0 CDAERP F[C@@H](c1nc(CC2CC[NH2+]CC2)no1)[C@@H]1CC[NH2+]C1 ZINC000905309619 626758596 /nfs/dbraw/zinc/75/85/96/626758596.db2.gz ZNOBKLONMVAZFU-ZYHUDNBSSA-N 2 0 268.336 1.232 10 0 CDAERP CC[N@@H+]1CC[C@H]1CNC(=S)NCC(C)(C)C[NH+](C)C ZINC000905547339 626850264 /nfs/dbraw/zinc/85/02/64/626850264.db2.gz BCLGKYPXYOBOMM-LBPRGKRZSA-N 2 0 286.489 1.133 10 0 CDAERP CN(CC1([NH+](C)C)CCC1)C(=O)C12CC[NH+](CC1)C2 ZINC000907613847 627761294 /nfs/dbraw/zinc/76/12/94/627761294.db2.gz GTSZTLMRXBCYBV-UHFFFAOYSA-N 2 0 265.401 1.025 10 0 CDAERP CCCN(CC[NH+]1CCCC1)C(=O)C12CC[NH+](CC1)C2 ZINC000908143915 628044954 /nfs/dbraw/zinc/04/49/54/628044954.db2.gz FFPDFKRNMFXOMX-UHFFFAOYSA-N 2 0 279.428 1.417 10 0 CDAERP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC000908287009 628113495 /nfs/dbraw/zinc/11/34/95/628113495.db2.gz DROCXCYNBRNWFA-KFWWJZLASA-N 2 0 281.444 1.848 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC000912047120 629753118 /nfs/dbraw/zinc/75/31/18/629753118.db2.gz IOXGGZRWBIVBQP-KBXIAJHMSA-N 2 0 279.428 1.460 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000913290809 630438253 /nfs/dbraw/zinc/43/82/53/630438253.db2.gz RWMFDLKSOFLEMI-BHYGNILZSA-N 2 0 293.455 1.661 10 0 CDAERP CC(C)[NH+]1CCC([N@H+](C)C[C@H](O)CCC2(O)CCC2)CC1 ZINC000929470300 630649614 /nfs/dbraw/zinc/64/96/14/630649614.db2.gz LAHQNXYGJQOZKT-MRXNPFEDSA-N 2 0 298.471 1.847 10 0 CDAERP CC[NH+]1CCC(CNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000916031983 631897007 /nfs/dbraw/zinc/89/70/07/631897007.db2.gz IFCJNZFHIMFYTL-OCCSQVGLSA-N 2 0 282.432 1.110 10 0 CDAERP COCC[N@@H+]1CCC[C@@H]1CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925474596 632699448 /nfs/dbraw/zinc/69/94/48/632699448.db2.gz CTVUVRRBOIEFJL-WCVJEAGWSA-N 2 0 295.471 1.463 10 0 CDAERP CC[NH+]1CCC(C[NH2+]Cc2c3c(nn2C)CCC3)CC1 ZINC000921686451 633175788 /nfs/dbraw/zinc/17/57/88/633175788.db2.gz KABODHYNRJDMLD-UHFFFAOYSA-N 2 0 276.428 1.730 10 0 CDAERP CC[N@H+](C)CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001690983190 1158513706 /nfs/dbraw/zinc/51/37/06/1158513706.db2.gz AEMPKNNGFCZCMZ-QWHCGFSZSA-N 2 0 253.390 1.071 10 0 CDAERP CC[N@H+](CCNC(=O)N[C@@H]1CC[C@H]2C[NH+](C)C[C@@H]21)C1CC1 ZINC001649280244 1158564371 /nfs/dbraw/zinc/56/43/71/1158564371.db2.gz XREBYZRHIJZIHC-AEGPPILISA-N 2 0 294.443 1.110 10 0 CDAERP CC[C@@H](C)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870024119 694864367 /nfs/dbraw/zinc/86/43/67/694864367.db2.gz TZMHIPQTPAURDD-MGPQQGTHSA-N 2 0 269.433 1.230 10 0 CDAERP CC[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1cnn(C)c1 ZINC000925794380 693890738 /nfs/dbraw/zinc/89/07/38/693890738.db2.gz DVANGJGFVQGNTQ-BZPMIXESSA-N 2 0 250.390 1.706 10 0 CDAERP Cn1cncc1CC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925646478 693897666 /nfs/dbraw/zinc/89/76/66/693897666.db2.gz VFDMTMSVEYTBTF-NWDGAFQWSA-N 2 0 250.390 1.458 10 0 CDAERP C[N@@H+]1CC[C@@H]2[C@H](CCCN2CN2C[C@@H]3CCC[C@H]3C2=O)C1 ZINC000840029210 693915675 /nfs/dbraw/zinc/91/56/75/693915675.db2.gz FCLKCIAXGGRWIG-ZJIFWQFVSA-N 2 0 291.439 1.619 10 0 CDAERP C[N@H+](CCCC[NH+]1CCCCC1)C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000931702345 693954603 /nfs/dbraw/zinc/95/46/03/693954603.db2.gz BAKUXGQLNAIFLQ-ULQDDVLXSA-N 2 0 296.455 1.988 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)C[C@H]([NH3+])C2CC2)CC1 ZINC000831431348 693991630 /nfs/dbraw/zinc/99/16/30/693991630.db2.gz GEVJYIQFMLRZON-UBHUBRDASA-N 2 0 267.417 1.350 10 0 CDAERP C[C@H]1C[N@H+](CCCOC(F)(F)F)CC[C@@H]1C[NH3+] ZINC000713385231 694000318 /nfs/dbraw/zinc/00/03/18/694000318.db2.gz UAMOFQFQPLEECY-VHSXEESVSA-N 2 0 254.296 1.830 10 0 CDAERP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@]2(CCc3ccccc32)C1 ZINC000872146887 694041332 /nfs/dbraw/zinc/04/13/32/694041332.db2.gz ZPPALORGPBQALT-IAGOWNOFSA-N 2 0 274.408 1.547 10 0 CDAERP CC[NH+]1CCC(C[NH2+][C@H]2C[C@H](C)n3ncnc32)CC1 ZINC000924955946 694048699 /nfs/dbraw/zinc/04/86/99/694048699.db2.gz VPWJICGYTNIGFC-AAEUAGOBSA-N 2 0 263.389 1.605 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@@H](O)C1CCCC1 ZINC000926816902 694072808 /nfs/dbraw/zinc/07/28/08/694072808.db2.gz PYSIHCLCEOBBOX-IUOOZAAYSA-N 2 0 266.429 1.857 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001266790783 1158831884 /nfs/dbraw/zinc/83/18/84/1158831884.db2.gz OAYKKTUGFTVSGL-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@@H](C)O)C2)ccn1 ZINC000856584419 688202798 /nfs/dbraw/zinc/20/27/98/688202798.db2.gz JTTXGJRNIVBPBV-CJNGLKHVSA-N 2 0 293.411 1.367 10 0 CDAERP COCCOC[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925569865 688204828 /nfs/dbraw/zinc/20/48/28/688204828.db2.gz APFLRKOJUDDCRU-AVGNSLFASA-N 2 0 258.406 1.534 10 0 CDAERP CC(C)(C)[C@H]1CC[C@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925817182 688236267 /nfs/dbraw/zinc/23/62/67/688236267.db2.gz ODBGQHTWGDSBHW-UONOGXRCSA-N 2 0 253.434 1.824 10 0 CDAERP O=C(NCC[NH+]1CCCC1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000248750422 688274488 /nfs/dbraw/zinc/27/44/88/688274488.db2.gz GIMUZAGLKMWKML-MJBXVCDLSA-N 2 0 265.401 1.119 10 0 CDAERP COc1ccccc1[C@H](O)C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000817894005 688281190 /nfs/dbraw/zinc/28/11/90/688281190.db2.gz WGPCDVPWSIWUNB-FPMFFAJLSA-N 2 0 264.369 1.446 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713218167 688285478 /nfs/dbraw/zinc/28/54/78/688285478.db2.gz BWYLQSQZZAPNME-FQLMCAECSA-N 2 0 279.428 1.495 10 0 CDAERP CSC1(CNC2=[NH+]CCCCN2)CC[NH+](C)CC1 ZINC000849216488 688356344 /nfs/dbraw/zinc/35/63/44/688356344.db2.gz JGAFCBRHYYYXON-UHFFFAOYSA-N 2 0 270.446 1.143 10 0 CDAERP COc1cc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)on1 ZINC000926665602 688364119 /nfs/dbraw/zinc/36/41/19/688364119.db2.gz INWMMOIBIDUILI-GARJFASQSA-N 2 0 253.346 1.674 10 0 CDAERP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]CC2(O)CCCCC2)CC1 ZINC000819173724 688383820 /nfs/dbraw/zinc/38/38/20/688383820.db2.gz MGOWMKZNIROXPF-JKSUJKDBSA-N 2 0 296.455 1.649 10 0 CDAERP Cc1nc2c(o1)CCC[C@@H]2[NH2+]CCCN1CC[NH+](C)CC1 ZINC000924578627 688416131 /nfs/dbraw/zinc/41/61/31/688416131.db2.gz OCPNOXCMFXFABT-AWEZNQCLSA-N 2 0 292.427 1.588 10 0 CDAERP [NH3+]CCCOC1CC[NH+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)CC1 ZINC000720887457 688426246 /nfs/dbraw/zinc/42/62/46/688426246.db2.gz FIPLBTWKIGYJAX-CWRNSKLLSA-N 2 0 282.428 1.774 10 0 CDAERP CC[C@@H](C(=O)NCc1nc(CN(C)C)cs1)[NH+](C)C ZINC000927760245 688454998 /nfs/dbraw/zinc/45/49/98/688454998.db2.gz IOUQOXQYWDSJTQ-NSHDSACASA-N 2 0 284.429 1.161 10 0 CDAERP Cn1ncc2cc(C[NH2+]C[C@H]3CCC[N@H+](C)C3)cnc21 ZINC000865455537 688503395 /nfs/dbraw/zinc/50/33/95/688503395.db2.gz CCQHOXZEQDPMSO-GFCCVEGCSA-N 2 0 273.384 1.400 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@H](O)c2ccccc21 ZINC000854229800 694213710 /nfs/dbraw/zinc/21/37/10/694213710.db2.gz XMSHDGWCCPMYLE-GLQYFDAESA-N 2 0 264.369 1.508 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)[C@@H](O)c1ccccc1 ZINC000817931175 688567090 /nfs/dbraw/zinc/56/70/90/688567090.db2.gz JOYUAHGPQTZETP-AEGPPILISA-N 2 0 266.385 1.452 10 0 CDAERP C[C@@H]1CCC[N@H+](Cc2ccn(C)n2)[C@@H]1CCC[NH3+] ZINC000693457755 1158869448 /nfs/dbraw/zinc/86/94/48/1158869448.db2.gz FTVDABZSLYYDGR-TZMCWYRMSA-N 2 0 250.390 1.760 10 0 CDAERP [NH3+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)C[C@H]1c1ccccc1 ZINC000846679834 688674882 /nfs/dbraw/zinc/67/48/82/688674882.db2.gz GPZMADGFBYFCCU-VVLHAWIVSA-N 2 0 299.418 1.470 10 0 CDAERP Cn1cc(C[NH2+]CCCC[NH+](C)C)c(Br)n1 ZINC000712429864 688678548 /nfs/dbraw/zinc/67/85/48/688678548.db2.gz FKMZXMKVQXTVJG-UHFFFAOYSA-N 2 0 289.221 1.614 10 0 CDAERP CN(C(=O)C=C1CC[NH2+]CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000852874961 688679941 /nfs/dbraw/zinc/67/99/41/688679941.db2.gz YBWSSUNPMISLEW-PBWFPOADSA-N 2 0 263.385 1.038 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)C[NH2+]1 ZINC000861602656 688706208 /nfs/dbraw/zinc/70/62/08/688706208.db2.gz MQXZBTMFHLTPQH-RFGFWPKPSA-N 2 0 282.432 1.299 10 0 CDAERP COC(=O)[C@H](C)C[N@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000596989945 688806817 /nfs/dbraw/zinc/80/68/17/688806817.db2.gz BFAUJJWHQYVMBE-GFCCVEGCSA-N 2 0 288.351 1.508 10 0 CDAERP C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000831970539 688816955 /nfs/dbraw/zinc/81/69/55/688816955.db2.gz IHZARQOZGSKWHI-DOMZBBRYSA-N 2 0 293.386 1.469 10 0 CDAERP CCC(C)(C)NC(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000122293847 688836907 /nfs/dbraw/zinc/83/69/07/688836907.db2.gz YZKQBNBYVFNGBL-VXGBXAGGSA-N 2 0 255.406 1.208 10 0 CDAERP C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)O[C@H]1CCOC1 ZINC000923359831 688858784 /nfs/dbraw/zinc/85/87/84/688858784.db2.gz VSQYRELNRCOKNV-PMPSAXMXSA-N 2 0 282.428 1.504 10 0 CDAERP CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)C(C)C ZINC001691075224 1158891442 /nfs/dbraw/zinc/89/14/42/1158891442.db2.gz QBTIWLCAAPPKDY-CYBMUJFWSA-N 2 0 255.406 1.269 10 0 CDAERP Cn1cncc1CC[NH2+][C@H](C1CC1)[C@@H]1CCCOC1 ZINC000926204015 694293435 /nfs/dbraw/zinc/29/34/35/694293435.db2.gz PPNNEYULTIQNPZ-UKRRQHHQSA-N 2 0 263.385 1.757 10 0 CDAERP COC[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)C1CCOCC1 ZINC000925841585 694354178 /nfs/dbraw/zinc/35/41/78/694354178.db2.gz QYFNQVACEHOVNB-ARFHVFGLSA-N 2 0 282.428 1.550 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(C(F)(F)F)CC1 ZINC000849027227 694361652 /nfs/dbraw/zinc/36/16/52/694361652.db2.gz IQBBKKJVHNVVOC-SNVBAGLBSA-N 2 0 292.349 1.927 10 0 CDAERP CC(C)N1CC[C@H]([N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)C1=O ZINC000866705826 694389177 /nfs/dbraw/zinc/38/91/77/694389177.db2.gz IKEPROCVSFKDHD-BBRMVZONSA-N 2 0 281.444 1.693 10 0 CDAERP CC(C)n1ncnc1CN1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923495743 694395800 /nfs/dbraw/zinc/39/58/00/694395800.db2.gz XALRXUIJOHXMLR-RYUDHWBXSA-N 2 0 251.378 1.276 10 0 CDAERP C[C@@H]1C[C@H](C)N(C(=O)C=C2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC000852893950 694421716 /nfs/dbraw/zinc/42/17/16/694421716.db2.gz RBIVQICVYQRHFA-DYEKYZERSA-N 2 0 265.401 1.128 10 0 CDAERP C(CC[NH+]1CCOCC1)C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000850423500 694435612 /nfs/dbraw/zinc/43/56/12/694435612.db2.gz AHRHENGZDCLXES-AWEZNQCLSA-N 2 0 268.401 1.400 10 0 CDAERP C[C@H]1CN(C(=[NH2+])NCCC[NH2+]C(C)(C)C)CCO1 ZINC000848994056 694437035 /nfs/dbraw/zinc/43/70/35/694437035.db2.gz LDLXMDRNLMYQPO-NSHDSACASA-N 2 0 256.394 1.010 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)CC[C@@H]2CC[NH2+]C2)C1 ZINC000870992012 694491160 /nfs/dbraw/zinc/49/11/60/694491160.db2.gz HMXWLYHHXNCBDT-CZUORRHYSA-N 2 0 281.444 1.600 10 0 CDAERP C[C@H]1CCC[N@H+](CCNC(=O)CCC23CC(C2)C[NH2+]3)C1 ZINC000870866407 692158747 /nfs/dbraw/zinc/15/87/47/692158747.db2.gz URPKZZXSAHUEBR-HLIUYOAVSA-N 2 0 279.428 1.367 10 0 CDAERP C[N@@H+]1CC[C@H]1CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000925406995 692197608 /nfs/dbraw/zinc/19/76/08/692197608.db2.gz JJHRRCMCEIEBPV-GJZGRUSLSA-N 2 0 294.443 1.350 10 0 CDAERP Cc1cc([C@@H]([NH3+])CC(=O)N(C)[C@H](C)C[NH3+])cc(Cl)n1 ZINC000841848631 692202627 /nfs/dbraw/zinc/20/26/27/692202627.db2.gz NOCPVMLJGQWELX-KOLCDFICSA-N 2 0 284.791 1.239 10 0 CDAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872288999 692210603 /nfs/dbraw/zinc/21/06/03/692210603.db2.gz VYEXWAXRBSAMHR-RNJOBUHISA-N 2 0 253.390 1.008 10 0 CDAERP COC(=O)CC[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000260730305 692232136 /nfs/dbraw/zinc/23/21/36/692232136.db2.gz DTYJQIAJNPWPTN-UHFFFAOYSA-N 2 0 254.374 1.357 10 0 CDAERP C[C@@H]1COC[C@@H](C)C1[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000926573105 692253387 /nfs/dbraw/zinc/25/33/87/692253387.db2.gz KEKOFHVSCFUCFL-MGPQQGTHSA-N 2 0 254.418 1.979 10 0 CDAERP COCC(C)(C)CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000718791899 692318900 /nfs/dbraw/zinc/31/89/00/692318900.db2.gz AGFXVJWNGNCPGC-ZDUSSCGKSA-N 2 0 258.406 1.095 10 0 CDAERP C[C@@H](c1cc(F)ccc1F)N1CC[NH2+]CC[NH2+]CC1 ZINC000923460176 692349015 /nfs/dbraw/zinc/34/90/15/692349015.db2.gz CCRKOGYWJCIIJX-NSHDSACASA-N 2 0 269.339 1.521 10 0 CDAERP [NH3+]C[C@@H]1CCN(C[C@H]2CC[C@H](C(F)(F)F)O2)C1 ZINC000721445059 692359791 /nfs/dbraw/zinc/35/97/91/692359791.db2.gz OSJWWRCESLCVJV-IVZWLZJFSA-N 2 0 252.280 1.377 10 0 CDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]([NH3+])CC1CC1 ZINC000309848674 692369751 /nfs/dbraw/zinc/36/97/51/692369751.db2.gz ZGPHQRFHPBCBAW-CJNGLKHVSA-N 2 0 289.423 1.751 10 0 CDAERP CC[C@H](C[C@@](C)(O)CC)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000924633685 694522554 /nfs/dbraw/zinc/52/25/54/694522554.db2.gz SEKWOSGKSHLDFF-WBVHZDCISA-N 2 0 299.503 1.932 10 0 CDAERP [NH3+]CC1(CC[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)CC1 ZINC000925701831 692390476 /nfs/dbraw/zinc/39/04/76/692390476.db2.gz GMTWFTFYSJJWTJ-HZSPNIEDSA-N 2 0 252.402 1.910 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1)[C@@H]1CC[NH2+]C1 ZINC000722392684 692393817 /nfs/dbraw/zinc/39/38/17/692393817.db2.gz DFLXDXVEPKBHBA-VLEAKVRGSA-N 2 0 266.307 1.684 10 0 CDAERP CCOC[C@@H](O)C[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714410651 692394573 /nfs/dbraw/zinc/39/45/73/692394573.db2.gz LUYSVJXLSSSLER-ZDUSSCGKSA-N 2 0 258.406 1.081 10 0 CDAERP CN1c2ccc(C[NH2+]CCOCCC[NH3+])cc2CCC1=O ZINC000863650334 692441235 /nfs/dbraw/zinc/44/12/35/692441235.db2.gz QLWVKASZXPPLQA-UHFFFAOYSA-N 2 0 291.395 1.051 10 0 CDAERP c1cc([C@@H]2CN(C[C@@H]3CC4(C[NH2+]C4)CO3)CCO2)cs1 ZINC000923316224 692464913 /nfs/dbraw/zinc/46/49/13/692464913.db2.gz FJVQWJXZKDBQAW-KBPBESRZSA-N 2 0 294.420 1.500 10 0 CDAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925879325 692469532 /nfs/dbraw/zinc/46/95/32/692469532.db2.gz BOODGERFRFTJDD-RTXFEEFZSA-N 3 0 262.401 1.627 10 0 CDAERP CCn1nc2c(cc1=O)C[N@@H+](CCCCCC[NH3+])CC2 ZINC000846218964 692518512 /nfs/dbraw/zinc/51/85/12/692518512.db2.gz ARCPTDBXHULTJO-UHFFFAOYSA-N 2 0 278.400 1.140 10 0 CDAERP CC(C)OCC[C@H](O)C[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000923428090 692585490 /nfs/dbraw/zinc/58/54/90/692585490.db2.gz WDIRCTLNRVIDKF-SRVKXCTJSA-N 2 0 298.349 1.231 10 0 CDAERP CC[NH+]1CCC(C[NH2+][C@H]2CCC2(OC)OC)CC1 ZINC000710933830 692612480 /nfs/dbraw/zinc/61/24/80/692612480.db2.gz UNJVOODUJKXOBB-ZDUSSCGKSA-N 2 0 256.390 1.459 10 0 CDAERP C[C@@H]1C[N@H+](C[C@@H]2CC[C@@H](C3CC3)O2)CC[C@H]1C[NH3+] ZINC000923494544 692641783 /nfs/dbraw/zinc/64/17/83/692641783.db2.gz YTMUKNPVQKANIB-UNQGMJICSA-N 2 0 252.402 1.861 10 0 CDAERP c1c(CNCC23CC(C2)C[NH2+]3)sc2c1C[NH2+]CC2 ZINC000873212045 694550933 /nfs/dbraw/zinc/55/09/33/694550933.db2.gz FJMZNKWDQXJGLF-UHFFFAOYSA-N 2 0 263.410 1.235 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC[C@@H]1C[NH2+]CCC1(F)F ZINC000925774875 692795475 /nfs/dbraw/zinc/79/54/75/692795475.db2.gz AEHIZFAVMRUPHX-NTZNESFSSA-N 2 0 273.371 1.304 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000874468726 692836538 /nfs/dbraw/zinc/83/65/38/692836538.db2.gz PLZKJFPCGRDNDU-CHWSQXEVSA-N 2 0 255.406 1.031 10 0 CDAERP C(COC1CCOCC1)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000701389526 692847382 /nfs/dbraw/zinc/84/73/82/692847382.db2.gz JJEQIEQJQUZJDA-KBPBESRZSA-N 2 0 268.401 1.398 10 0 CDAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(C[NH3+])c1 ZINC000251629102 692856832 /nfs/dbraw/zinc/85/68/32/692856832.db2.gz FIDYGZNHWGXFDM-WFASDCNBSA-N 2 0 273.380 1.454 10 0 CDAERP O[C@H](CN[C@H]1CC[NH2+]C12CCC2)CC1CCCC1 ZINC000923397799 692869701 /nfs/dbraw/zinc/86/97/01/692869701.db2.gz FDLZVJXALGOSHR-KBPBESRZSA-N 2 0 252.402 1.802 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000852897691 692887942 /nfs/dbraw/zinc/88/79/42/692887942.db2.gz FNYICYUXLQFMPX-MRXNPFEDSA-N 2 0 291.439 1.534 10 0 CDAERP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925684480 693014461 /nfs/dbraw/zinc/01/44/61/693014461.db2.gz BMSDMSMCNSSZQI-LSDHHAIUSA-N 3 0 265.445 1.983 10 0 CDAERP CC[NH+]1CCC([NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)CC1 ZINC000926943557 694569180 /nfs/dbraw/zinc/56/91/80/694569180.db2.gz WIZHMINJZMRKLZ-GUTXKFCHSA-N 2 0 250.386 1.651 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925577235 694570029 /nfs/dbraw/zinc/57/00/29/694570029.db2.gz MVIMVNLEFFESTR-ZIAGYGMSSA-N 2 0 253.434 1.981 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C[NH+](C)C)C(C)C)CC[N@@H+]1C ZINC000865800798 693038146 /nfs/dbraw/zinc/03/81/46/693038146.db2.gz SNEPIQBMXKZFSN-MELADBBJSA-N 2 0 269.433 1.419 10 0 CDAERP [NH3+]CCC[C@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1ccccc1 ZINC000925830948 693047820 /nfs/dbraw/zinc/04/78/20/693047820.db2.gz HGHAEYNYIMQCBU-NCOADZHNSA-N 2 0 290.407 1.860 10 0 CDAERP CCOC(=O)CC1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923369862 693067693 /nfs/dbraw/zinc/06/76/93/693067693.db2.gz QJUNDKPKFBPXSS-AWEZNQCLSA-N 2 0 296.411 1.030 10 0 CDAERP CCOCCC[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720826705 693085648 /nfs/dbraw/zinc/08/56/48/693085648.db2.gz GQERZXFWWPBWQS-ZJUUUORDSA-N 2 0 254.296 1.482 10 0 CDAERP C[C@H]1CN(C)C[C@H]1[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925887675 693124243 /nfs/dbraw/zinc/12/42/43/693124243.db2.gz JRQIBCOVHTWCCP-QMCVQRASSA-N 2 0 273.424 1.585 10 0 CDAERP COC[C@H](CN1CCC[C@@H]2C[NH2+]CC[C@@H]21)C(C)C ZINC000721922205 693170917 /nfs/dbraw/zinc/17/09/17/693170917.db2.gz VNLSXLPPHNCGRG-ILXRZTDVSA-N 2 0 254.418 1.979 10 0 CDAERP COc1cccnc1N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000866009961 693202669 /nfs/dbraw/zinc/20/26/69/693202669.db2.gz AZNQRULQAIZJLY-ZIAGYGMSSA-N 2 0 292.427 1.266 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CC[NH+](C)[C@H]2C)C1 ZINC000921427070 693228332 /nfs/dbraw/zinc/22/83/32/693228332.db2.gz WACWWUHGOCPICR-RRFJBIMHSA-N 2 0 296.459 1.356 10 0 CDAERP O[C@H]1CC[N@@H+](C2CC[NH+](CC3(O)CCCCC3)CC2)C1 ZINC000852708647 693232003 /nfs/dbraw/zinc/23/20/03/693232003.db2.gz GUSSPDSCXWHIIL-HNNXBMFYSA-N 2 0 282.428 1.213 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)CCC23CC(C2)C[NH2+]3)CC1 ZINC000870876984 693232110 /nfs/dbraw/zinc/23/21/10/693232110.db2.gz XELXUHBFAXALOK-UHFFFAOYSA-N 2 0 293.455 1.757 10 0 CDAERP C[C@@H]1CC2(CN1C(=O)[C@]13C[C@H]1C[C@H]([NH3+])C3)CC[NH2+]CC2 ZINC000870948512 693242385 /nfs/dbraw/zinc/24/23/85/693242385.db2.gz JMLFDNUVNJOELY-FOCJUVANSA-N 2 0 277.412 1.104 10 0 CDAERP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870873240 693310478 /nfs/dbraw/zinc/31/04/78/693310478.db2.gz GGUNHUPFMPTUGG-FAYXSQRVSA-N 2 0 293.455 1.596 10 0 CDAERP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C=C1CC[NH2+]CC1 ZINC000852861538 693316944 /nfs/dbraw/zinc/31/69/44/693316944.db2.gz FNWZIKRGVAMBSW-QLFBSQMISA-N 2 0 293.455 1.779 10 0 CDAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CC[NH+](C)[C@@H]1C ZINC000925328718 693325278 /nfs/dbraw/zinc/32/52/78/693325278.db2.gz HZWDLHSQUMMPEE-KBXIAJHMSA-N 2 0 294.443 1.347 10 0 CDAERP Cc1c(C[NH2+]CCCC[NH+]2CCN(C)CC2)ccnc1F ZINC000862269045 693329939 /nfs/dbraw/zinc/32/99/39/693329939.db2.gz BPKDSELGMHEPJU-UHFFFAOYSA-N 2 0 294.418 1.646 10 0 CDAERP O=C(N1CC[NH+](CC2CC2)CC1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000711304044 694641065 /nfs/dbraw/zinc/64/10/65/694641065.db2.gz RPVUODOJUAFONW-ZBFHGGJFSA-N 2 0 277.412 1.073 10 0 CDAERP CO[C@@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCSC1 ZINC000719231378 693363043 /nfs/dbraw/zinc/36/30/43/693363043.db2.gz VTOACIRBQFTBSO-WTUNAVPPSA-N 2 0 270.442 1.723 10 0 CDAERP CCOC(=O)C(F)(F)[C@H]1CCC[C@@H]([NH2+]CCC[NH3+])C1 ZINC000817939130 693387547 /nfs/dbraw/zinc/38/75/47/693387547.db2.gz ZJHAMUCGKXKVQV-WDEREUQCSA-N 2 0 278.343 1.682 10 0 CDAERP CC(C)NC(=O)CC[N@@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC000931309153 693397097 /nfs/dbraw/zinc/39/70/97/693397097.db2.gz XBUYGEAMDGMHGY-GASCZTMLSA-N 2 0 267.417 1.175 10 0 CDAERP Cn1ncc2cc(C[NH2+]CC3(C)CC[NH+](C)CC3)cnc21 ZINC000865524250 693399872 /nfs/dbraw/zinc/39/98/72/693399872.db2.gz UCTLCRSWRYHBOV-UHFFFAOYSA-N 2 0 287.411 1.790 10 0 CDAERP [NH3+]CCc1ccc(CNC(=O)C2([NH2+]C3CC3)CCC2)cc1 ZINC000852793721 693412980 /nfs/dbraw/zinc/41/29/80/693412980.db2.gz FKKIYNXHZWWNSN-UHFFFAOYSA-N 2 0 287.407 1.479 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)C=C2CC[NH2+]CC2)[C@@H](C)C1 ZINC000852869663 693452568 /nfs/dbraw/zinc/45/25/68/693452568.db2.gz DHHPLESWWXZYJG-DZGCQCFKSA-N 2 0 279.428 1.485 10 0 CDAERP C[C@@H]1C[N@H+](Cc2nc(N)c3ccccc3n2)CC[C@H]1C[NH3+] ZINC000923500107 693460642 /nfs/dbraw/zinc/46/06/42/693460642.db2.gz UXBRCFSCFXVOEF-NEPJUHHUSA-N 2 0 285.395 1.629 10 0 CDAERP C(N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925838457 694773661 /nfs/dbraw/zinc/77/36/61/694773661.db2.gz MCXPVGZGMPYKHH-DVYSLKTASA-N 2 0 261.413 1.105 10 0 CDAERP C[C@H]1[C@H](NC(=O)N(C)CC2([NH+](C)C)CCC2)CC[N@@H+]1C ZINC000925334504 694779893 /nfs/dbraw/zinc/77/98/93/694779893.db2.gz LAELXOLVCFSDKP-QWHCGFSZSA-N 2 0 282.432 1.205 10 0 CDAERP CN1C[C@]2(C)C[N@H+](C[C@H](O)C(C)(C)C)C[C@]2(C)C1 ZINC000705672085 694803648 /nfs/dbraw/zinc/80/36/48/694803648.db2.gz SOHQRWOWRUPVME-AEGPPILISA-N 2 0 254.418 1.667 10 0 CDAERP c1cn(-c2ccc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cn2)cn1 ZINC000843125841 694822897 /nfs/dbraw/zinc/82/28/97/694822897.db2.gz ANSNOSHRDLRIGH-IYBDPMFKSA-N 2 0 297.406 1.699 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCCCC[NH3+])[C@@H](C)C1 ZINC000831267894 694830335 /nfs/dbraw/zinc/83/03/35/694830335.db2.gz RNFCXILVFPLJTA-GJZGRUSLSA-N 2 0 298.475 1.877 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])N2CC[C@@H](CC)C2)C1 ZINC000864456811 694616195 /nfs/dbraw/zinc/61/61/95/694616195.db2.gz MZMYXEQUVYOPGZ-KGLIPLIRSA-N 2 0 266.433 1.975 10 0 CDAERP C[NH2+]CC1CC[NH+](C[C@@H]2C[C@H]3CCC[C@H]3O2)CC1 ZINC000720879348 694708852 /nfs/dbraw/zinc/70/88/52/694708852.db2.gz JDCSKYLPPFNPMI-QLFBSQMISA-N 2 0 252.402 1.875 10 0 CDAERP COCC[N@H+](C)CCC[NH2+]C[C@@H](O)c1ccccc1C ZINC000818958780 694719549 /nfs/dbraw/zinc/71/95/49/694719549.db2.gz VGNXDICKJSGVOO-MRXNPFEDSA-N 2 0 280.412 1.586 10 0 CDAERP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000713012495 694720575 /nfs/dbraw/zinc/72/05/75/694720575.db2.gz BTVQPLBVXRBOED-WCQYABFASA-N 2 0 269.433 1.595 10 0 CDAERP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925842719 694747120 /nfs/dbraw/zinc/74/71/20/694747120.db2.gz BVQYZLCNEBVTBW-CVEARBPZSA-N 3 0 282.476 1.040 10 0 CDAERP C[C@@H]1C[N@H+](CCCOC(F)(F)F)CC[C@@H]1C[NH3+] ZINC000713385229 694812571 /nfs/dbraw/zinc/81/25/71/694812571.db2.gz UAMOFQFQPLEECY-NXEZZACHSA-N 2 0 254.296 1.830 10 0 CDAERP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872300197 694813576 /nfs/dbraw/zinc/81/35/76/694813576.db2.gz HUHYEGPCGVWXBQ-RMRKRWHISA-N 2 0 285.391 1.199 10 0 CDAERP [NH3+]CCCCCCC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000843382430 694853463 /nfs/dbraw/zinc/85/34/63/694853463.db2.gz PXLPGXKCTPTQTN-HNNXBMFYSA-N 3 0 253.434 1.971 10 0 CDAERP C[NH+](C)C1(CNC(=O)C=C2CC[NH2+]CC2)CCCC1 ZINC000852854535 694853940 /nfs/dbraw/zinc/85/39/40/694853940.db2.gz JKQWLMVIVWZYFB-UHFFFAOYSA-N 2 0 265.401 1.287 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000723645744 694856682 /nfs/dbraw/zinc/85/66/82/694856682.db2.gz INTZCAQVESTCFR-FQKPHLNHSA-N 2 0 252.402 1.779 10 0 CDAERP CC1(C)[C@H]([NH2+]C[C@@H](O)COCC2CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925617052 694858866 /nfs/dbraw/zinc/85/88/66/694858866.db2.gz POSUWBNVHFYXQB-APIJFGDWSA-N 2 0 282.428 1.140 10 0 CDAERP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C=C1CC[NH2+]CC1 ZINC000852884299 694864943 /nfs/dbraw/zinc/86/49/43/694864943.db2.gz IALSBZXHNYVPRF-GXTWGEPZSA-N 2 0 265.401 1.095 10 0 CDAERP CC1(C)CO[C@H](C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000709850445 694867281 /nfs/dbraw/zinc/86/72/81/694867281.db2.gz UGGSLLOXPPOSRU-DZGCQCFKSA-N 2 0 252.402 1.877 10 0 CDAERP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CCOC(F)F ZINC000851861209 694867565 /nfs/dbraw/zinc/86/75/65/694867565.db2.gz SKLYPAQEPYVAFV-UTUOFQBUSA-N 2 0 278.343 1.409 10 0 CDAERP CC(C)([NH3+])CCc1nc([C@@H]2CN3CCC[C@@H]3CO2)no1 ZINC000091686510 694878582 /nfs/dbraw/zinc/87/85/82/694878582.db2.gz IECFYMUOOCAAQY-MNOVXSKESA-N 2 0 280.372 1.275 10 0 CDAERP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc2c(c1)CCC(=O)N2C ZINC000841062570 694886442 /nfs/dbraw/zinc/88/64/42/694886442.db2.gz AOTRXZBFEUXDNH-SWLSCSKDSA-N 2 0 287.407 1.683 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)C[C@@H]([NH3+])C2CC2)cc1 ZINC000841848847 694890188 /nfs/dbraw/zinc/89/01/88/694890188.db2.gz YCUYCHANQFZFKM-IINYFYTJSA-N 2 0 261.369 1.450 10 0 CDAERP CC[NH+](CC)CCCNC(=O)C(C)(C)[C@H]([NH3+])C(C)C ZINC000712990048 694896716 /nfs/dbraw/zinc/89/67/16/694896716.db2.gz NQNHINDFAWOTPL-CYBMUJFWSA-N 2 0 271.449 1.844 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C=C2CC[NH2+]CC2)C1 ZINC000852868404 695069256 /nfs/dbraw/zinc/06/92/56/695069256.db2.gz RWFHHBCIWKRCDZ-OAHLLOKOSA-N 2 0 279.428 1.390 10 0 CDAERP CN1C[C@]2(C)C[N@H+](C[C@@H](O)Cc3ccccc3)C[C@]2(C)C1 ZINC000931310219 695081673 /nfs/dbraw/zinc/08/16/73/695081673.db2.gz CFQAOJDFZQBSHC-OKZBNKHCSA-N 2 0 288.435 1.864 10 0 CDAERP C[C@H]([NH2+][C@@H]1CCCN2CCSC[C@H]12)C1CC[NH+](C)CC1 ZINC000718449609 695111320 /nfs/dbraw/zinc/11/13/20/695111320.db2.gz MQSZBEYMPXSNMS-NUEKZKHPSA-N 2 0 297.512 1.886 10 0 CDAERP Cc1cc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)no1 ZINC000826815829 695133314 /nfs/dbraw/zinc/13/33/14/695133314.db2.gz PEUFNBVPUAQWOF-UHFFFAOYSA-N 2 0 293.411 1.964 10 0 CDAERP CC(C)[C@@H](Cn1cccn1)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925802429 695142754 /nfs/dbraw/zinc/14/27/54/695142754.db2.gz GLSIDQICGBDBSC-RBSFLKMASA-N 2 0 264.417 1.743 10 0 CDAERP CCc1noc([C@@H]2CC[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])C2)n1 ZINC000925872442 695144384 /nfs/dbraw/zinc/14/43/84/695144384.db2.gz FZHFSIMVGYBAOQ-KXNHARMFSA-N 2 0 266.389 1.984 10 0 CDAERP CC(C)[C@H]1C[C@H]([NH2+]CCN2CCC([NH3+])CC2)CCO1 ZINC000925814376 695152296 /nfs/dbraw/zinc/15/22/96/695152296.db2.gz IFHSCJHPJARVGK-HUUCEWRRSA-N 2 0 269.433 1.203 10 0 CDAERP Cc1cc(N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)nc(N)[nH+]1 ZINC000167682359 695152661 /nfs/dbraw/zinc/15/26/61/695152661.db2.gz WFDOFSNZNPTEDW-VXGBXAGGSA-N 2 0 261.373 1.288 10 0 CDAERP C[C@H]1CCCC[C@@H]1OCCN1CC[NH2+]CC[NH2+]CC1 ZINC000923460134 695173140 /nfs/dbraw/zinc/17/31/40/695173140.db2.gz AIIQKTXAJKJUGZ-GJZGRUSLSA-N 2 0 269.433 1.077 10 0 CDAERP COCCC[NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001691319405 1159015720 /nfs/dbraw/zinc/01/57/20/1159015720.db2.gz HWKOKIBXWSOCDQ-UHFFFAOYSA-N 2 0 299.459 1.335 10 0 CDAERP C1C[C@H]2[C@@H](C[NH2+]1)[C@H]2c1nc([C@@H]2C[NH+]3CCC2CC3)no1 ZINC001772538516 1158810480 /nfs/dbraw/zinc/81/04/80/1158810480.db2.gz IMHFMRQEXLESPL-LOWDOPEQSA-N 2 0 274.368 1.202 10 0 CDAERP CCC[NH2+]CC[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001482903067 1160643067 /nfs/dbraw/zinc/64/30/67/1160643067.db2.gz WQOIHQJJSNXAKX-AWEZNQCLSA-N 2 0 269.433 1.757 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)C1 ZINC000870852742 1165223137 /nfs/dbraw/zinc/22/31/37/1165223137.db2.gz MJXZRJDKJQPIAI-TUVASFSCSA-N 2 0 279.428 1.495 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC2=CC[N@H+](C)CC2)C1 ZINC001632710340 1166369512 /nfs/dbraw/zinc/36/95/12/1166369512.db2.gz OWEQIRHGLWLOGD-HUUCEWRRSA-N 2 0 279.428 1.485 10 0 CDAERP CC[NH+](CC)C1CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC001646280696 1167741646 /nfs/dbraw/zinc/74/16/46/1167741646.db2.gz UTDRGZVMJJQDLZ-HNNXBMFYSA-N 2 0 281.444 1.171 10 0 CDAERP Cc1cncc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)n1 ZINC001647284166 1168524072 /nfs/dbraw/zinc/52/40/72/1168524072.db2.gz QVIJIDPJNDTKJS-BZUAXINKSA-N 2 0 290.411 1.074 10 0 CDAERP C[NH+](C)CCC(=O)NCC1C[NH+](CC2CCCC2)C1 ZINC001567840028 1169009890 /nfs/dbraw/zinc/00/98/90/1169009890.db2.gz DXIIEMKZURQBRG-UHFFFAOYSA-N 2 0 267.417 1.176 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1=CCCCC1 ZINC001567861196 1169025842 /nfs/dbraw/zinc/02/58/42/1169025842.db2.gz MQRDERQYZZIPRI-HOTGVXAUSA-N 2 0 291.439 1.724 10 0 CDAERP CCN(CC[NH2+]Cc1cccnc1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001568766865 1169468355 /nfs/dbraw/zinc/46/83/55/1169468355.db2.gz MLNACIMEFHLJRR-OAHLLOKOSA-N 2 0 290.411 1.114 10 0 CDAERP CN(C)Cc1csc(C[NH2+]C2CCC(C[NH3+])CC2)n1 ZINC001650037414 1169634797 /nfs/dbraw/zinc/63/47/97/1169634797.db2.gz QHJXOWCBRIDMOF-UHFFFAOYSA-N 2 0 282.457 1.812 10 0 CDAERP CCCCC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001569329104 1169767474 /nfs/dbraw/zinc/76/74/74/1169767474.db2.gz FXXOTXYGMURKFH-CABCVRRESA-N 2 0 281.444 1.613 10 0 CDAERP C[C@H](O)C[NH2+]C1(C)CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001570384499 1170148459 /nfs/dbraw/zinc/14/84/59/1170148459.db2.gz MMEGQZZJPSOVBD-AWEZNQCLSA-N 2 0 299.459 1.070 10 0 CDAERP CCCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001570960828 1170323623 /nfs/dbraw/zinc/32/36/23/1170323623.db2.gz AKOSAGLPMFTRES-FPCVCCKLSA-N 2 0 293.455 1.422 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001571117978 1170336838 /nfs/dbraw/zinc/33/68/38/1170336838.db2.gz NEMSRYNADNSIQK-KLHDSHLOSA-N 2 0 293.455 1.777 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[NH+](C)CC1(C)C ZINC001652491784 1171444726 /nfs/dbraw/zinc/44/47/26/1171444726.db2.gz QMAJFMKCNUWHGG-OLZOCXBDSA-N 2 0 267.417 1.317 10 0 CDAERP CC[N@H+](CCCNC(=O)C[NH+]1CC[C@@H](C)C1)C1CC1 ZINC001660722895 1172264355 /nfs/dbraw/zinc/26/43/55/1172264355.db2.gz OBNCTCMQMZQVTO-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)=CC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001661323449 1172370280 /nfs/dbraw/zinc/37/02/80/1172370280.db2.gz DHQTUIUYOXOQGH-HNNXBMFYSA-N 2 0 291.439 1.772 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001661832855 1172452267 /nfs/dbraw/zinc/45/22/67/1172452267.db2.gz QDZICCXYRSCWSP-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)[NH2+]C/C=C/Cl)[NH+](C)C ZINC001662255095 1172518436 /nfs/dbraw/zinc/51/84/36/1172518436.db2.gz DXQUUAPBUNAPDS-FQLSZKSXSA-N 2 0 261.797 1.173 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NCCC[C@H]2CCC[NH+]2CCCF)C1 ZINC001663123468 1172636637 /nfs/dbraw/zinc/63/66/37/1172636637.db2.gz HDYVCHASDGFZPN-GJZGRUSLSA-N 2 0 299.434 1.659 10 0 CDAERP CCOCC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001663597787 1172733222 /nfs/dbraw/zinc/73/32/22/1172733222.db2.gz FBLPWZTZHJTEGV-GJZGRUSLSA-N 2 0 299.459 1.047 10 0 CDAERP C[C@@H](F)CC[NH2+]C/C=C\CNC(=O)C12CC[NH+](CC1)C2 ZINC001669139597 1173509324 /nfs/dbraw/zinc/50/93/24/1173509324.db2.gz PQRDNCQUAIHZRE-XQJDBVBESA-N 2 0 283.391 1.092 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001690648904 1175535506 /nfs/dbraw/zinc/53/55/06/1175535506.db2.gz MDIUVYAHGZNNIA-ZDUSSCGKSA-N 2 0 255.406 1.223 10 0 CDAERP O=C(N1CC[C@H](C[NH2+]CCCF)C1)C12CCC[NH+]1CCC2 ZINC001690721456 1175556172 /nfs/dbraw/zinc/55/61/72/1175556172.db2.gz KBBQZIZSWASLHA-CQSZACIVSA-N 2 0 297.418 1.413 10 0 CDAERP C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)C[NH2+]CCF ZINC001698755428 1175919421 /nfs/dbraw/zinc/91/94/21/1175919421.db2.gz ORISWIILGPMIRD-CYBMUJFWSA-N 2 0 285.407 1.174 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCCO ZINC001698849561 1175962478 /nfs/dbraw/zinc/96/24/78/1175962478.db2.gz SGBWMLGQZVUXPQ-LSDHHAIUSA-N 2 0 299.459 1.068 10 0 CDAERP CC(C)[N@H+](C)CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001699000351 1176027429 /nfs/dbraw/zinc/02/74/29/1176027429.db2.gz CGBDDCARHZKPBL-AWEZNQCLSA-N 2 0 267.417 1.127 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccns1)[NH+](C)C ZINC001699152296 1176114285 /nfs/dbraw/zinc/11/42/85/1176114285.db2.gz VFAAQWFPZDTQDN-YPMHNXCESA-N 2 0 298.456 1.468 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC1CC1 ZINC001699261474 1176185239 /nfs/dbraw/zinc/18/52/39/1176185239.db2.gz FGKANHKLOAHXHA-BWPKMQGJSA-N 2 0 279.428 1.533 10 0 CDAERP C[C@H](C[NH2+]C/C=C\Cl)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001699362680 1176317477 /nfs/dbraw/zinc/31/74/77/1176317477.db2.gz FPQWNIYXMIRBEP-MRGQDZFZSA-N 2 0 285.819 1.175 10 0 CDAERP C[C@H](C[NH2+]C/C=C/Cl)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001699362678 1176318416 /nfs/dbraw/zinc/31/84/16/1176318416.db2.gz FPQWNIYXMIRBEP-GGFAISIISA-N 2 0 285.819 1.175 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]CC[C@@H]1CCCCO1 ZINC001699388366 1176346262 /nfs/dbraw/zinc/34/62/62/1176346262.db2.gz QWFSKPGSYJPSPX-CABCVRRESA-N 2 0 299.459 1.380 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCCF)CC1 ZINC001699675428 1176564648 /nfs/dbraw/zinc/56/46/48/1176564648.db2.gz ISPXFTQBJLBZGW-ZDUSSCGKSA-N 2 0 285.407 1.459 10 0 CDAERP CC(C)=CC[NH+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001700106610 1176747392 /nfs/dbraw/zinc/74/73/92/1176747392.db2.gz PWLPJBBSJXVHBS-UHFFFAOYSA-N 2 0 293.455 1.829 10 0 CDAERP CC[C@H](C(=O)N1CCO[C@H](C[NH2+]CC=C(C)C)C1)[NH+](C)C ZINC001700155339 1176775652 /nfs/dbraw/zinc/77/56/52/1176775652.db2.gz RANLEROAQYWFIJ-HUUCEWRRSA-N 2 0 297.443 1.110 10 0 CDAERP CC[N@@H+](C/C=C\Cl)CCCNC(=O)Cc1ncc[nH]1 ZINC001707465466 1178063521 /nfs/dbraw/zinc/06/35/21/1178063521.db2.gz DIINTJDMHLQUJA-HYXAFXHYSA-N 2 0 284.791 1.533 10 0 CDAERP CC(C)[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001707477561 1178072066 /nfs/dbraw/zinc/07/20/66/1178072066.db2.gz YRHLJYXFKSYBKQ-AWEZNQCLSA-N 2 0 267.417 1.460 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)[C@@H](C)COC)CC[N@@H+]1C ZINC001712948303 1178262369 /nfs/dbraw/zinc/26/23/69/1178262369.db2.gz WJPAFXGBRUILAU-SOUVJXGZSA-N 2 0 299.459 1.190 10 0 CDAERP CC[N@@H+](CC=C(C)C)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001713009377 1178301724 /nfs/dbraw/zinc/30/17/24/1178301724.db2.gz YNLAOWGEIKGFIF-HNNXBMFYSA-N 2 0 281.444 1.875 10 0 CDAERP CCCCC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001713104672 1178368683 /nfs/dbraw/zinc/36/86/83/1178368683.db2.gz KDAFWEOGUNXPPE-CABCVRRESA-N 2 0 281.444 1.755 10 0 CDAERP c1[nH]nc2cc(C[NH2+]CCCC[NH+]3CCOCC3)ccc12 ZINC000236697200 1178389004 /nfs/dbraw/zinc/38/90/04/1178389004.db2.gz LKNWBCXLRNWORZ-UHFFFAOYSA-N 2 0 288.395 1.765 10 0 CDAERP CN(CC[NH2+]CCC(F)(F)F)C(=O)CCC[NH+](C)C ZINC001713628153 1178688081 /nfs/dbraw/zinc/68/80/81/1178688081.db2.gz JFQKDCMJVXJULS-UHFFFAOYSA-N 2 0 283.338 1.329 10 0 CDAERP CC(C)C[C@@H](C)C[NH2+]CCN(C)C(=O)C[NH+]1CCCC1 ZINC001713664548 1178701373 /nfs/dbraw/zinc/70/13/73/1178701373.db2.gz XRSPIDYAPRRJET-OAHLLOKOSA-N 2 0 283.460 1.812 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001713957653 1178888172 /nfs/dbraw/zinc/88/81/72/1178888172.db2.gz GVSPMGOJEBQLSN-AJNGGQMLSA-N 2 0 281.444 1.754 10 0 CDAERP CCCC[NH2+]C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001714079378 1178964111 /nfs/dbraw/zinc/96/41/11/1178964111.db2.gz MNDZHWBPHMOMOQ-CQSZACIVSA-N 2 0 269.433 1.566 10 0 CDAERP CC/C=C\CC[NH2+][C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001714237301 1179037950 /nfs/dbraw/zinc/03/79/50/1179037950.db2.gz YBXAKBGRWSICLF-RCELQXLSSA-N 2 0 293.455 1.779 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001714362205 1179104938 /nfs/dbraw/zinc/10/49/38/1179104938.db2.gz QQFUNJPAKBNVCR-AWEZNQCLSA-N 2 0 269.433 1.566 10 0 CDAERP CC(C)=CC[N@@H+](C)CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001714571740 1179227186 /nfs/dbraw/zinc/22/71/86/1179227186.db2.gz HADGBIVBNXRSSW-GJZGRUSLSA-N 2 0 281.444 1.873 10 0 CDAERP CCC[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001714720808 1179357279 /nfs/dbraw/zinc/35/72/79/1179357279.db2.gz YDQXSBAPBBYEPY-ZDUSSCGKSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001715270382 1179603581 /nfs/dbraw/zinc/60/35/81/1179603581.db2.gz IUHRCNZYCDOUET-AWEZNQCLSA-N 2 0 267.417 1.390 10 0 CDAERP C[C@H](C[NH2+]CCC(C)(C)C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001715371628 1179647310 /nfs/dbraw/zinc/64/73/10/1179647310.db2.gz IFJQFOQKDWIGSH-CQSZACIVSA-N 2 0 295.471 1.955 10 0 CDAERP CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001715404084 1179658173 /nfs/dbraw/zinc/65/81/73/1179658173.db2.gz SRFLGEICZIQEPT-STQMWFEESA-N 2 0 255.406 1.175 10 0 CDAERP CC(C)[NH2+][C@H](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001715468552 1179675622 /nfs/dbraw/zinc/67/56/22/1179675622.db2.gz VIZRSWRUVQJIGX-KGLIPLIRSA-N 2 0 269.433 1.563 10 0 CDAERP C[C@@H](CC[NH2+]CCF)NC(=O)CC1CC[NH+](C)CC1 ZINC001715683650 1179763749 /nfs/dbraw/zinc/76/37/49/1179763749.db2.gz ICXPFSOVDKVTFZ-LBPRGKRZSA-N 2 0 273.396 1.172 10 0 CDAERP CCN(CC[NH2+]CC[C@@H](C)F)C(=O)C12CC[NH+](CC1)C2 ZINC001715768383 1179797999 /nfs/dbraw/zinc/79/79/99/1179797999.db2.gz UOBSAHMHTRFBSW-CYBMUJFWSA-N 2 0 285.407 1.268 10 0 CDAERP CCN(CC[NH2+]CC[C@H](C)F)C(=O)C[NH+]1CCCC1 ZINC001715774137 1179799838 /nfs/dbraw/zinc/79/98/38/1179799838.db2.gz RXCWLPSPGRLABR-ZDUSSCGKSA-N 2 0 273.396 1.268 10 0 CDAERP CC(C)[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001715811472 1179837605 /nfs/dbraw/zinc/83/76/05/1179837605.db2.gz DLARYXUOUXZRTG-GEXIGZQTSA-N 2 0 267.417 1.530 10 0 CDAERP CCC[NH2+]C/C=C/CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001715893808 1179900816 /nfs/dbraw/zinc/90/08/16/1179900816.db2.gz JBEAHUFMGGOSJI-MUBLQREKSA-N 2 0 253.390 1.000 10 0 CDAERP COCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001716026447 1180001412 /nfs/dbraw/zinc/00/14/12/1180001412.db2.gz FSUXVBLTDZTBKR-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP CC[NH2+]CCN(CC)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001716223795 1180110225 /nfs/dbraw/zinc/11/02/25/1180110225.db2.gz DSWWDURDVFIZQF-ZIAGYGMSSA-N 2 0 267.417 1.461 10 0 CDAERP COC[C@H](C)[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001716293057 1180146079 /nfs/dbraw/zinc/14/60/79/1180146079.db2.gz ABKZRXBMPIIJLV-WHJWBVKISA-N 2 0 297.443 1.156 10 0 CDAERP CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1CCC)C1CC1 ZINC001716612345 1180306659 /nfs/dbraw/zinc/30/66/59/1180306659.db2.gz DKOMQOJISDUICH-CABCVRRESA-N 2 0 281.444 1.755 10 0 CDAERP CCC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001716989853 1180493727 /nfs/dbraw/zinc/49/37/27/1180493727.db2.gz AKMWJXBNXAXHGF-DZGCQCFKSA-N 2 0 281.444 1.422 10 0 CDAERP CC(C)[N@@H+]1CCC[C@](CO)(NC(=O)CCCC[NH+](C)C)C1 ZINC001717028609 1180507523 /nfs/dbraw/zinc/50/75/23/1180507523.db2.gz WZFDRKGKMSEGAB-INIZCTEOSA-N 2 0 299.459 1.070 10 0 CDAERP CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001717084077 1180527089 /nfs/dbraw/zinc/52/70/89/1180527089.db2.gz HLOIHCTVKHEBRY-ZFWWWQNUSA-N 2 0 279.428 1.176 10 0 CDAERP CCCC[NH2+][C@H](C)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001717749730 1180826910 /nfs/dbraw/zinc/82/69/10/1180826910.db2.gz JGWJHBHMAWAFMZ-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001725478278 1182015188 /nfs/dbraw/zinc/01/51/88/1182015188.db2.gz LLMDTVBWVZWCCK-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCF)C(C)(C)C ZINC001725743456 1182119127 /nfs/dbraw/zinc/11/91/27/1182119127.db2.gz CMOWAGPXGCABCP-OLZOCXBDSA-N 2 0 287.423 1.561 10 0 CDAERP C[N@H+](CCCF)CCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001731247993 1182273953 /nfs/dbraw/zinc/27/39/53/1182273953.db2.gz IADRILXKYNYHOP-CABCVRRESA-N 2 0 299.434 1.801 10 0 CDAERP CCOCC[NH2+][C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001731445178 1182390645 /nfs/dbraw/zinc/39/06/45/1182390645.db2.gz FAHXOJJWUONRCB-RBSFLKMASA-N 2 0 297.443 1.134 10 0 CDAERP Cc1cc(C[NH2+]CCN(C)C(=O)C[N@@H+](C)C(C)C)cs1 ZINC001731987823 1182715085 /nfs/dbraw/zinc/71/50/85/1182715085.db2.gz NAPZJWUQKREXLL-UHFFFAOYSA-N 2 0 297.468 1.945 10 0 CDAERP CC[C@H](F)C[NH2+]CC[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001732711756 1183095567 /nfs/dbraw/zinc/09/55/67/1183095567.db2.gz VKNKONXWJCQEMO-KGLIPLIRSA-N 2 0 299.434 1.847 10 0 CDAERP C[NH+](C)C1(C(=O)NC/C=C/C[NH2+]CCC2CC2)CCC1 ZINC001732860072 1183162325 /nfs/dbraw/zinc/16/23/25/1183162325.db2.gz HAMCRKJAYQLCBR-ONEGZZNKSA-N 2 0 279.428 1.533 10 0 CDAERP C[NH+](C)CCC(=O)NC/C=C/C[NH2+]CC1CC(C)(C)C1 ZINC001732893133 1183174114 /nfs/dbraw/zinc/17/41/14/1183174114.db2.gz CYQDENCGKOFPLD-AATRIKPKSA-N 2 0 281.444 1.636 10 0 CDAERP C[NH+](C)CCC(=O)NC/C=C\C[NH2+]CC1CC2(CCC2)C1 ZINC001732893141 1183174382 /nfs/dbraw/zinc/17/43/82/1183174382.db2.gz DCMSHEXDIHZVSS-ARJAWSKDSA-N 2 0 293.455 1.780 10 0 CDAERP CCCC[NH2+]C/C=C\CNC(=O)CC1CC[NH+](C)CC1 ZINC001732909258 1183180868 /nfs/dbraw/zinc/18/08/68/1183180868.db2.gz SRMPQTLEQMBOED-WAYWQWQTSA-N 2 0 281.444 1.780 10 0 CDAERP CCCCCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001733069872 1183276620 /nfs/dbraw/zinc/27/66/20/1183276620.db2.gz ZNGLCRRIPPOIQR-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP CN(CCC[NH2+]C/C=C\Cl)C(=O)C1(C[NH+](C)C)CC1 ZINC001733122264 1183298349 /nfs/dbraw/zinc/29/83/49/1183298349.db2.gz PIDWBKRCMTUQHU-YWEYNIOJSA-N 2 0 287.835 1.519 10 0 CDAERP CC[C@H](C)C[NH+]1CC(N(C)C(=O)CCC[NH+](C)C)C1 ZINC001733313590 1183378239 /nfs/dbraw/zinc/37/82/39/1183378239.db2.gz PAXIOOJHBYCFDH-ZDUSSCGKSA-N 2 0 269.433 1.517 10 0 CDAERP COCCC[NH+]1CCC(C)(NC(=O)C[NH+]2CCCC2)CC1 ZINC001733361846 1183408999 /nfs/dbraw/zinc/40/89/99/1183408999.db2.gz JWYQPHHOQHFGRF-UHFFFAOYSA-N 2 0 297.443 1.089 10 0 CDAERP CC[NH2+]CC[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001733651577 1183490047 /nfs/dbraw/zinc/49/00/47/1183490047.db2.gz FGHZMEVNWKCALT-ZDUSSCGKSA-N 2 0 267.417 1.319 10 0 CDAERP CCCC[NH2+][C@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001733856446 1183551708 /nfs/dbraw/zinc/55/17/08/1183551708.db2.gz FBOQZDZYIGFXAI-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP CC[N@H+](C)[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001734044483 1183632117 /nfs/dbraw/zinc/63/21/17/1183632117.db2.gz IDHYTDFCLGYDAP-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP CCCCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001734065098 1183644630 /nfs/dbraw/zinc/64/46/30/1183644630.db2.gz LLDWCHWRDUZWCC-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP CC[NH2+][C@H](C)CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001734330738 1183735499 /nfs/dbraw/zinc/73/54/99/1183735499.db2.gz QRAPNTAZWPWJKW-OLZOCXBDSA-N 2 0 255.406 1.317 10 0 CDAERP CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001734335948 1183736388 /nfs/dbraw/zinc/73/63/88/1183736388.db2.gz YCQSROORXTVGPJ-CHWSQXEVSA-N 2 0 255.406 1.317 10 0 CDAERP C[C@H]1[C@H]([NH2+]CCCF)CCN1C(=O)CCC[NH+](C)C ZINC001734399941 1183763062 /nfs/dbraw/zinc/76/30/62/1183763062.db2.gz QBVXPZDKOLCGSQ-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP CCC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)(C)C ZINC001734560484 1183826386 /nfs/dbraw/zinc/82/63/86/1183826386.db2.gz JDFHWVUNLRRPTC-MCIONIFRSA-N 2 0 283.460 1.857 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407336379 1186620183 /nfs/dbraw/zinc/62/01/83/1186620183.db2.gz UPYASYFQNWGONG-MCIONIFRSA-N 2 0 265.401 1.118 10 0 CDAERP O[C@@H](C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000819206577 1164198333 /nfs/dbraw/zinc/19/83/33/1164198333.db2.gz XKIFUBJTLVCECZ-INIZCTEOSA-N 2 0 275.396 1.659 10 0 CDAERP Cc1ccc(F)c(CN2CC[NH2+]CC[NH2+]CC2)c1F ZINC000923459451 723130121 /nfs/dbraw/zinc/13/01/21/723130121.db2.gz BIWACAXEPXZTSS-UHFFFAOYSA-N 2 0 269.339 1.268 10 0 CDAERP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCOC1CCOCC1 ZINC000925877631 723178566 /nfs/dbraw/zinc/17/85/66/723178566.db2.gz KRMJMDALJFUZTR-OCCSQVGLSA-N 2 0 256.390 1.160 10 0 CDAERP [NH3+]C[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)C[C@@H]1C(F)(F)F ZINC000872149475 723212192 /nfs/dbraw/zinc/21/21/92/723212192.db2.gz OVFZWEIVSRCJRZ-AXFHLTTASA-N 3 0 265.323 1.055 10 0 CDAERP C[C@H]([NH2+]C[C@@H](O)[C@H]1CCCO1)c1cccc(C[NH+](C)C)c1 ZINC000926748271 723258860 /nfs/dbraw/zinc/25/88/60/723258860.db2.gz DXWLMUVJYJKPRO-IAOVAPTHSA-N 2 0 292.423 1.939 10 0 CDAERP COCC[N@H+](C)CCC[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000924654121 723322507 /nfs/dbraw/zinc/32/25/07/723322507.db2.gz PTSAHBRQXRAORP-RRFJBIMHSA-N 2 0 252.402 1.899 10 0 CDAERP C[N@H+](CCN[C@H]1CC[NH2+]C12CCC2)Cc1ccccc1 ZINC000925506585 723355516 /nfs/dbraw/zinc/35/55/16/723355516.db2.gz WSUZTMKHPFVAPZ-INIZCTEOSA-N 2 0 273.424 1.993 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]CCCOCC(F)(F)F)C12CCC2 ZINC000925536571 723399911 /nfs/dbraw/zinc/39/99/11/723399911.db2.gz GGMCVNGXWRBVBL-ZJUUUORDSA-N 2 0 266.307 1.815 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1COc2ccccc2C1 ZINC000817892541 723412840 /nfs/dbraw/zinc/41/28/40/723412840.db2.gz UKQHATUKAXNLPR-DZGCQCFKSA-N 2 0 278.396 1.581 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCc3c2nccc3Cl)CC1 ZINC000925112412 723520269 /nfs/dbraw/zinc/52/02/69/723520269.db2.gz FTPBKYXSQWKIAY-CYBMUJFWSA-N 2 0 295.814 1.769 10 0 CDAERP COCCOCC[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923504765 723534557 /nfs/dbraw/zinc/53/45/57/723534557.db2.gz DPNISJYBISSRDB-HNNXBMFYSA-N 2 0 284.444 1.751 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC1 ZINC000870894503 723589214 /nfs/dbraw/zinc/58/92/14/723589214.db2.gz VTMDAKVDAHGTPT-YCPHGPKFSA-N 2 0 279.428 1.352 10 0 CDAERP CCN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923502524 723592956 /nfs/dbraw/zinc/59/29/56/723592956.db2.gz ZMQYGEUZXSUBJU-AGIUHOORSA-N 2 0 255.406 1.160 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[N@@H+]1C ZINC000928444326 723606708 /nfs/dbraw/zinc/60/67/08/723606708.db2.gz KSVOTTHVFGKCFP-KGLIPLIRSA-N 2 0 267.417 1.461 10 0 CDAERP CCc1nnc([C@H](C)N(C)CCCCCC[NH3+])[nH]1 ZINC000872155094 723653406 /nfs/dbraw/zinc/65/34/06/723653406.db2.gz CAJRVVHJGWMTFU-NSHDSACASA-N 2 0 253.394 1.879 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)c1cccc(C[NH3+])c1 ZINC000846687426 723674460 /nfs/dbraw/zinc/67/44/60/723674460.db2.gz OCBMIGIOOWIRHB-UHFFFAOYSA-N 2 0 277.412 1.853 10 0 CDAERP COC1(OC)CC[C@H]1[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000715558508 723670252 /nfs/dbraw/zinc/67/02/52/723670252.db2.gz OBRVQAZNSWKBQS-ROKHWSDSSA-N 2 0 270.417 1.990 10 0 CDAERP [NH3+]CCCCCCC[N@@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000842478917 723671935 /nfs/dbraw/zinc/67/19/35/723671935.db2.gz RBDLTNRNTDBFGN-HUUCEWRRSA-N 2 0 281.444 1.886 10 0 CDAERP COC[C@@H]1CC[C@H]([C@H]2COCC[N@@H+]2C[C@@H]2CC[C@H]([NH3+])C2)O1 ZINC000923554376 723673065 /nfs/dbraw/zinc/67/30/65/723673065.db2.gz NWNDCKPDZNWKCY-LYYZXLFJSA-N 2 0 298.427 1.009 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000713007169 723680566 /nfs/dbraw/zinc/68/05/66/723680566.db2.gz DXICEWNVEHDOMD-AWEZNQCLSA-N 2 0 283.460 1.844 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH2+]CC2(C)C)C1 ZINC000711392878 723683463 /nfs/dbraw/zinc/68/34/63/723683463.db2.gz HEWQZKBKSDPJPO-CHWSQXEVSA-N 2 0 281.444 1.469 10 0 CDAERP CCOCCOCC[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000923388430 723062872 /nfs/dbraw/zinc/06/28/72/723062872.db2.gz OBENDPNABZRVIQ-INIZCTEOSA-N 2 0 284.444 1.751 10 0 CDAERP O[C@H](CN1CC[C@@H](c2nccs2)C1)C[NH+]1CCCC1 ZINC000710677466 723068523 /nfs/dbraw/zinc/06/85/23/723068523.db2.gz WIOBMWLEIHEZMN-OLZOCXBDSA-N 2 0 281.425 1.389 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000848982335 723140292 /nfs/dbraw/zinc/14/02/92/723140292.db2.gz HWEQAAFEZJYZQV-KGLIPLIRSA-N 2 0 282.432 1.544 10 0 CDAERP CN1CC[C@@H]1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000922575001 723215385 /nfs/dbraw/zinc/21/53/85/723215385.db2.gz SVHQBABTOKFZGA-CYBMUJFWSA-N 2 0 257.341 1.061 10 0 CDAERP [NH3+]CCCN(CCC[NH2+]C1CC1)Cc1ccccc1 ZINC000923349153 723216530 /nfs/dbraw/zinc/21/65/30/723216530.db2.gz SNBNFAMSHWPQLY-UHFFFAOYSA-N 2 0 261.413 1.980 10 0 CDAERP C[N@H+](CC[C@H]1COC(C)(C)O1)C[C@@H]1CCC[NH+](C)C1 ZINC000851782321 723334074 /nfs/dbraw/zinc/33/40/74/723334074.db2.gz QMIDHDHGWKVZMG-KGLIPLIRSA-N 2 0 270.417 1.802 10 0 CDAERP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925544044 723364675 /nfs/dbraw/zinc/36/46/75/723364675.db2.gz XTLIGSYMLYIJGY-FZKCQIBNSA-N 2 0 297.487 1.709 10 0 CDAERP CCCNC(=O)CC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925496594 723421126 /nfs/dbraw/zinc/42/11/26/723421126.db2.gz WTHSFOACWYCYBW-NEPJUHHUSA-N 2 0 255.406 1.398 10 0 CDAERP C[C@@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)C1CC[NH2+]CC1 ZINC000925728586 723450345 /nfs/dbraw/zinc/45/03/45/723450345.db2.gz LEDLCUKQMUSOEE-MRVWCRGKSA-N 3 0 253.434 1.870 10 0 CDAERP [NH3+][C@@H](Cc1nc(-c2ccn3c[nH+]cc3c2)no1)C1CC1 ZINC000843226524 723452507 /nfs/dbraw/zinc/45/25/07/723452507.db2.gz ANPNDYBGDHKDJS-LBPRGKRZSA-N 2 0 269.308 1.664 10 0 CDAERP CC(C)OC[C@@H](O)C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000871964927 723458747 /nfs/dbraw/zinc/45/87/47/723458747.db2.gz HGEAJFYSFUXTIU-ZDUSSCGKSA-N 2 0 272.433 1.671 10 0 CDAERP CC1(C)C[C@@H]([NH2+]CC2(C3(O)CCOCC3)CC2)C[C@@H]([NH3+])C1 ZINC000925827965 723477678 /nfs/dbraw/zinc/47/76/78/723477678.db2.gz YZXQKOZTJKUMNG-KGLIPLIRSA-N 2 0 296.455 1.804 10 0 CDAERP [NH3+]C[C@@H]1CCCc2ccc(C(=O)NC[C@H]3C[C@@H]([NH3+])C3)cc21 ZINC000870963328 723499193 /nfs/dbraw/zinc/49/91/93/723499193.db2.gz JYONIVVQWUQAQZ-TUKIKUTGSA-N 2 0 287.407 1.532 10 0 CDAERP C[NH+](C)CC1CC[NH+](C[C@H](O)c2ccc(F)cn2)CC1 ZINC000799295743 723549594 /nfs/dbraw/zinc/54/95/94/723549594.db2.gz XKNZJIMUNPFLES-HNNXBMFYSA-N 2 0 281.375 1.528 10 0 CDAERP CC[C@H]([NH2+]C[C@@H](O)CN(C)C1CC1)[C@@H]1CCCOC1 ZINC000723963083 723560072 /nfs/dbraw/zinc/56/00/72/723560072.db2.gz FXEMGZRGYHAHLL-YUELXQCFSA-N 2 0 270.417 1.236 10 0 CDAERP C[C@H]([NH2+]CCOCC[NH3+])c1ccc(C(F)(F)F)nc1 ZINC000872155470 723619899 /nfs/dbraw/zinc/61/98/99/723619899.db2.gz SYAXEZJFIUQEAG-VIFPVBQESA-N 2 0 277.290 1.726 10 0 CDAERP C[N@@H+]1CCN(C(=O)[C@@H]2CCc3cncn3C2)CCC1(C)C ZINC000871158340 723647475 /nfs/dbraw/zinc/64/74/75/723647475.db2.gz YPWSXPGOYJUDTM-CYBMUJFWSA-N 2 0 290.411 1.388 10 0 CDAERP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000701919986 723672398 /nfs/dbraw/zinc/67/23/98/723672398.db2.gz CWOCLXIFGRDNJO-UONOGXRCSA-N 2 0 258.381 1.515 10 0 CDAERP CC[C@@H]1C[N@H+](C[C@@H](O)CC2CCCC2)CC[C@@H]1[NH3+] ZINC000232121909 723676956 /nfs/dbraw/zinc/67/69/56/723676956.db2.gz FNOZSBSXMJKRGR-ILXRZTDVSA-N 2 0 254.418 1.987 10 0 CDAERP C[C@H]1C[C@@H]1NC(=[NH2+])NCC(C)(C)C[NH+]1CCCC1 ZINC000864464473 1164549827 /nfs/dbraw/zinc/54/98/27/1164549827.db2.gz CZRQBLYZBYCBGY-RYUDHWBXSA-N 2 0 252.406 1.631 10 0 CDAERP O=C1CC[N@H+](CC2CC[NH2+]CC2)CCCCCCN1 ZINC000866684511 1164808041 /nfs/dbraw/zinc/80/80/41/1164808041.db2.gz NZLLTIAQKLTJDL-UHFFFAOYSA-N 2 0 267.417 1.368 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)C1 ZINC000870852739 1165222430 /nfs/dbraw/zinc/22/24/30/1165222430.db2.gz MJXZRJDKJQPIAI-BARDWOONSA-N 2 0 279.428 1.495 10 0 CDAERP CC(C)[C@@](C)(C[NH3+])[NH2+]C[C@H]1CC2(CO1)CCOCC2 ZINC000872141282 1165383654 /nfs/dbraw/zinc/38/36/54/1165383654.db2.gz BISQIZMSLSJMOI-ZIAGYGMSSA-N 2 0 270.417 1.535 10 0 CDAERP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@]2(CCc3ccccc32)C1 ZINC000872146888 1165385943 /nfs/dbraw/zinc/38/59/43/1165385943.db2.gz ZPPALORGPBQALT-IRXDYDNUSA-N 2 0 274.408 1.547 10 0 CDAERP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCCC1CC[NH2+]CC1)C2 ZINC000872153501 1165387730 /nfs/dbraw/zinc/38/77/30/1165387730.db2.gz DIYCRNIZTAYRAO-LSDHHAIUSA-N 3 0 251.418 1.308 10 0 CDAERP C[NH+](C)CC[C@@H]([NH2+]C[C@H](O)CC(C)(C)O)C(C)(C)C ZINC000872204296 1165395304 /nfs/dbraw/zinc/39/53/04/1165395304.db2.gz MQIWDGFKJOTRHB-CHWSQXEVSA-N 2 0 274.449 1.464 10 0 CDAERP C[C@H]([NH3+])CN1C[C@@H](C[C@H]2COCC[NH2+]2)c2ccccc21 ZINC001646280826 1167741356 /nfs/dbraw/zinc/74/13/56/1167741356.db2.gz ZJIFIJPLXNWEIZ-MJBXVCDLSA-N 2 0 275.396 1.316 10 0 CDAERP [NH3+]CCC1CC[NH+](C[C@@H](O)CC2CCCC2)CC1 ZINC000232148542 912536914 /nfs/dbraw/zinc/53/69/14/912536914.db2.gz ZMNQASHCUSIGGH-HNNXBMFYSA-N 2 0 254.418 1.988 10 0 CDAERP Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)CC[NH+](C)C)cc1 ZINC001483677111 912595386 /nfs/dbraw/zinc/59/53/86/912595386.db2.gz NWLAQEUDYXONNE-MRXNPFEDSA-N 2 0 289.423 1.637 10 0 CDAERP CCCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CCn1ccnc1 ZINC001272292960 912716590 /nfs/dbraw/zinc/71/65/90/912716590.db2.gz YVTXOJPOLPRJNQ-CABCVRRESA-N 2 0 292.427 1.948 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]1CCC(C)(C)C ZINC001483690007 912767917 /nfs/dbraw/zinc/76/79/17/912767917.db2.gz UXDJBFSQVFXYSH-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N1CC[C@H](C[NH2+]CC[C@H](C)F)C1 ZINC001567155893 1168600402 /nfs/dbraw/zinc/60/04/02/1168600402.db2.gz ZTBPMYSLJULGOZ-UONOGXRCSA-N 2 0 287.423 1.513 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001567249785 1168640013 /nfs/dbraw/zinc/64/00/13/1168640013.db2.gz MOYIXJFJTANRCJ-RBSFLKMASA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@H](C(=O)NCC[N@H+](C)CC1=CCCCC1)[NH+](C)C ZINC001567314341 1168675138 /nfs/dbraw/zinc/67/51/38/1168675138.db2.gz WUIRWVNGQPWSOI-OAHLLOKOSA-N 2 0 281.444 1.875 10 0 CDAERP COCCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001483734013 913238831 /nfs/dbraw/zinc/23/88/31/913238831.db2.gz MGOAEZIGZPOXCH-CQSZACIVSA-N 2 0 297.443 1.134 10 0 CDAERP C[N@H+](CCOCC[NH3+])Cc1cncc2ccccc21 ZINC000699526607 913912511 /nfs/dbraw/zinc/91/25/11/913912511.db2.gz CBGQIBJUXNDAHK-UHFFFAOYSA-N 2 0 259.353 1.642 10 0 CDAERP CN(CC[NH2+]Cc1cncs1)C(=O)C1([NH+](C)C)CCC1 ZINC001567508106 1168819653 /nfs/dbraw/zinc/81/96/53/1168819653.db2.gz QCHDKMUSPAYJAS-UHFFFAOYSA-N 2 0 296.440 1.175 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001266688598 895830087 /nfs/dbraw/zinc/83/00/87/895830087.db2.gz PDJWQXSVRHDLIX-ZNMIVQPWSA-N 2 0 281.444 1.898 10 0 CDAERP CC(C)OCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001266694892 895850693 /nfs/dbraw/zinc/85/06/93/895850693.db2.gz DOAQFQMKKKSQLU-ZNMIVQPWSA-N 2 0 297.443 1.133 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001266725493 895924515 /nfs/dbraw/zinc/92/45/15/895924515.db2.gz JLBAMKUNVKMVCA-FRRDWIJNSA-N 2 0 255.406 1.364 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001266816341 896112366 /nfs/dbraw/zinc/11/23/66/896112366.db2.gz AOUQMCJAMLWSGM-HOTGVXAUSA-N 2 0 295.471 1.957 10 0 CDAERP CC[C@H]([NH2+][C@@H](CCC[NH3+])COC)[C@@H]1CCCOC1 ZINC000723988825 896320103 /nfs/dbraw/zinc/32/01/03/896320103.db2.gz RZNJCJHYNMNMPV-RDBSUJKOSA-N 2 0 258.406 1.535 10 0 CDAERP CCCC[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001266987355 896504313 /nfs/dbraw/zinc/50/43/13/896504313.db2.gz OCEWEJYBSWMNRF-STQMWFEESA-N 2 0 257.422 1.467 10 0 CDAERP CC(C)(C(=O)N1CC[C@@H](C[NH2+]CCF)C1)[NH+]1CCCC1 ZINC001267053438 896642856 /nfs/dbraw/zinc/64/28/56/896642856.db2.gz OPKRKFHOSQISJX-ZDUSSCGKSA-N 2 0 285.407 1.268 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001267139154 896902755 /nfs/dbraw/zinc/90/27/55/896902755.db2.gz FTXWXFBZWHVZQQ-KBPBESRZSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)CC[N@H+](C)CCNC(=O)COC1CC[NH+](C)CC1 ZINC001480929848 897443188 /nfs/dbraw/zinc/44/31/88/897443188.db2.gz JYWWLJDHUKKZTM-UHFFFAOYSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)=CC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001267336071 897627519 /nfs/dbraw/zinc/62/75/19/897627519.db2.gz HVFJTERUYNCWJH-UHFFFAOYSA-N 2 0 291.439 1.629 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001480934797 897704879 /nfs/dbraw/zinc/70/48/79/897704879.db2.gz GVRJPAGDFKPKDY-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)CC1CC1 ZINC001267508666 898187970 /nfs/dbraw/zinc/18/79/70/898187970.db2.gz ZOPXBNRPFBSMPE-UHFFFAOYSA-N 2 0 295.471 1.955 10 0 CDAERP CCCCC[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001481123126 898935618 /nfs/dbraw/zinc/93/56/18/898935618.db2.gz GGQXTHUKKUVBBC-OAHLLOKOSA-N 2 0 281.444 1.711 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NCCN(C/C=C/Cl)C2CC2)C1 ZINC001481194079 899106224 /nfs/dbraw/zinc/10/62/24/899106224.db2.gz BRFMHYDEKLPRLH-ZABGRMTBSA-N 2 0 299.846 1.661 10 0 CDAERP CCC[N@H+](CCNC(=O)[C@H]1CN(C)CCO1)CCC(C)C ZINC001420578808 899587660 /nfs/dbraw/zinc/58/76/60/899587660.db2.gz SCGWHWVAVARNCP-OAHLLOKOSA-N 2 0 299.459 1.191 10 0 CDAERP CO[C@H](C)C[NH2+]CCN(C)C(=O)c1c(C)cc(C)nc1C ZINC001481260686 899696572 /nfs/dbraw/zinc/69/65/72/899696572.db2.gz XVVZHGRATNOFKP-CYBMUJFWSA-N 2 0 293.411 1.703 10 0 CDAERP CCCC[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001267847485 899864247 /nfs/dbraw/zinc/86/42/47/899864247.db2.gz XZZDHUDVSQFPOL-CQSZACIVSA-N 2 0 281.444 1.757 10 0 CDAERP CC[NH2+]CCC1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001267916192 899966777 /nfs/dbraw/zinc/96/67/77/899966777.db2.gz YOPKXOODVIKBCW-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001267932051 899999018 /nfs/dbraw/zinc/99/90/18/899999018.db2.gz CAAHWIDSDRGVMN-BZUAXINKSA-N 2 0 293.455 1.921 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257728818 900440853 /nfs/dbraw/zinc/44/08/53/900440853.db2.gz WTDZGUZAXYBRBN-DZGCQCFKSA-N 2 0 265.401 1.073 10 0 CDAERP COCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001268080232 901124217 /nfs/dbraw/zinc/12/42/17/901124217.db2.gz GSWDVVGIBOEQAY-ZNMIVQPWSA-N 2 0 299.459 1.190 10 0 CDAERP CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001268284565 901744472 /nfs/dbraw/zinc/74/44/72/901744472.db2.gz CNNJVEAYKLUNKP-UONOGXRCSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001481693014 901810959 /nfs/dbraw/zinc/81/09/59/901810959.db2.gz RZHJRLTZPWNYEJ-ZDUSSCGKSA-N 2 0 255.406 1.175 10 0 CDAERP C[C@@H](CC[NH2+]Cc1cncs1)NC(=O)CC[NH+](C)C ZINC001268397453 901993600 /nfs/dbraw/zinc/99/36/00/901993600.db2.gz QCFJMKKMZSGTOB-NSHDSACASA-N 2 0 284.429 1.079 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]([NH2+]C/C=C/Cl)C2)C1 ZINC001422038836 902076370 /nfs/dbraw/zinc/07/63/70/902076370.db2.gz RXWRSGIMNBHJBD-QNTSXVQBSA-N 2 0 285.819 1.271 10 0 CDAERP CC[C@H](C(=O)N(CC)[C@H]1CC[N@H+](CCO)C1)[NH+](CC)CC ZINC001481774028 902115296 /nfs/dbraw/zinc/11/52/96/902115296.db2.gz HNIRVVCOFXDGHV-LSDHHAIUSA-N 2 0 299.459 1.022 10 0 CDAERP CC[C@H](C(=O)N(CC)CC[NH2+]CC(C)C)[NH+](C)C ZINC001268458219 902169441 /nfs/dbraw/zinc/16/94/41/902169441.db2.gz HNIIHKUZVFIYQQ-CYBMUJFWSA-N 2 0 257.422 1.421 10 0 CDAERP CCC[NH2+]C[C@](C)(NC(=O)[C@@H](C)Cc1c[nH]cn1)C1CC1 ZINC001481943561 902386601 /nfs/dbraw/zinc/38/66/01/902386601.db2.gz IVAKHUDSWVCIIA-LRDDRELGSA-N 2 0 292.427 1.873 10 0 CDAERP COCC[NH2+]C[C@]1(NC(=O)CC[NH+](C)C)CCCC[C@@H]1C ZINC001481962137 902408136 /nfs/dbraw/zinc/40/81/36/902408136.db2.gz QCYCYSCEOJYMAY-GOEBONIOSA-N 2 0 299.459 1.239 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ccccc1 ZINC001268520594 902499029 /nfs/dbraw/zinc/49/90/29/902499029.db2.gz DGFQBMWDQAVTHY-OGZRUICASA-N 2 0 287.407 1.543 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC/C=C/C[NH2+]C(C)C)CC[N@@H+]1C ZINC001268541478 902535959 /nfs/dbraw/zinc/53/59/59/902535959.db2.gz FGPUIKBEBMHIBZ-HYLRALAJSA-N 2 0 267.417 1.387 10 0 CDAERP CCCC[NH2+]C[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001482062458 902577433 /nfs/dbraw/zinc/57/74/33/902577433.db2.gz PKUNFHXUQBXBBO-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP Cc1cccnc1C[NH2+]C/C=C/CNC(=O)CC[NH+](C)C ZINC001268586213 902684871 /nfs/dbraw/zinc/68/48/71/902684871.db2.gz DHHVGOBNADCTNF-SNAWJCMRSA-N 2 0 290.411 1.104 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC/C=C\C[NH2+]CCC2CC2)C1 ZINC001268591282 902696962 /nfs/dbraw/zinc/69/69/62/902696962.db2.gz PXDZMTKQALIPHR-PYLYLYNFSA-N 2 0 279.428 1.390 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NC/C=C/C[NH2+]CC2CCCC2)C1 ZINC001268626621 902834848 /nfs/dbraw/zinc/83/48/48/902834848.db2.gz QGORQQOUBBACLJ-MBVDDHJVSA-N 2 0 279.428 1.390 10 0 CDAERP C[C@H](F)CC[NH2+]CCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001268915015 903242643 /nfs/dbraw/zinc/24/26/43/903242643.db2.gz HMQDIHWWXZUBBO-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001269083101 903406083 /nfs/dbraw/zinc/40/60/83/903406083.db2.gz AOCHQTYNMGGNOU-KGLIPLIRSA-N 2 0 267.417 1.364 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001269199562 903534745 /nfs/dbraw/zinc/53/47/45/903534745.db2.gz KOWUMIPYBNLAHU-LQYUOIDQSA-N 2 0 281.444 1.873 10 0 CDAERP CC(C)[NH+]1CC(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001567836061 1169007848 /nfs/dbraw/zinc/00/78/48/1169007848.db2.gz UHKQUAUULJUTNB-UHFFFAOYSA-N 2 0 267.417 1.317 10 0 CDAERP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000713067191 904943215 /nfs/dbraw/zinc/94/32/15/904943215.db2.gz JQLUNPFBYKCISV-QWHCGFSZSA-N 2 0 269.433 1.549 10 0 CDAERP CCCC[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001482329380 905077898 /nfs/dbraw/zinc/07/78/98/905077898.db2.gz AYMWKGFPGKNBEH-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)C[C@H](C[NH2+]C(C)C)NC(=O)C[N@H+](C)C(C)C ZINC001482401570 905299268 /nfs/dbraw/zinc/29/92/68/905299268.db2.gz WAFUNKWOVJVWFA-CQSZACIVSA-N 2 0 271.449 1.856 10 0 CDAERP C[N@H+](CCCC[NH2+]Cc1cnn(CCF)c1)C1CC1 ZINC000922171538 921307064 /nfs/dbraw/zinc/30/70/64/921307064.db2.gz KVABYUKNDIISPV-UHFFFAOYSA-N 2 0 268.380 1.817 10 0 CDAERP CC(C)[N@H+](C)CCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001482633647 908089874 /nfs/dbraw/zinc/08/98/74/908089874.db2.gz JIIKDPMFFBYKEY-HUUCEWRRSA-N 2 0 281.444 1.802 10 0 CDAERP Cc1nocc1C[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001483138923 909788941 /nfs/dbraw/zinc/78/89/41/909788941.db2.gz RPMSNDLOPZLXOU-RISCZKNCSA-N 2 0 296.415 1.164 10 0 CDAERP CCC[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001483166684 909896059 /nfs/dbraw/zinc/89/60/59/909896059.db2.gz NKROVXSGSXJSPQ-GFCCVEGCSA-N 2 0 257.422 1.469 10 0 CDAERP CCC[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001483178868 909922224 /nfs/dbraw/zinc/92/22/24/909922224.db2.gz HXXVYXHPDOMNJM-CYBMUJFWSA-N 2 0 255.406 1.223 10 0 CDAERP C[NH+](C)C1(C)CCC([NH2+][C@H]2CCC[NH2+]CC2)CC1 ZINC000715520901 910010709 /nfs/dbraw/zinc/01/07/09/910010709.db2.gz XACWORJLRNNRAV-NFOMZHRRSA-N 3 0 253.434 1.981 10 0 CDAERP CCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001483232924 910379636 /nfs/dbraw/zinc/37/96/36/910379636.db2.gz KBNNGYPTTAWGCW-QWHCGFSZSA-N 2 0 255.406 1.365 10 0 CDAERP C[C@@H](C[NH2+]C/C=C\Cl)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001483236141 910530953 /nfs/dbraw/zinc/53/09/53/910530953.db2.gz AHRPYRFQGLRAMK-PRHJHPOWSA-N 2 0 287.835 1.708 10 0 CDAERP CC[NH2+][C@H](CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001409752587 910685643 /nfs/dbraw/zinc/68/56/43/910685643.db2.gz FFXKHOZVVBGMSV-HZPDHXFCSA-N 2 0 295.471 1.811 10 0 CDAERP C[C@H](C[N@H+](C)CCCF)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001483339652 910935379 /nfs/dbraw/zinc/93/53/79/910935379.db2.gz RVZABQPTQLHHAJ-TZMCWYRMSA-N 2 0 285.407 1.124 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H]1CC[NH+](C)[C@@H]1C ZINC000922546581 921659669 /nfs/dbraw/zinc/65/96/69/921659669.db2.gz DSUBFGBSPUADFV-BFHYXJOUSA-N 2 0 284.448 1.499 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H]1CC[NH+](C)[C@H]1C ZINC000922546860 921659749 /nfs/dbraw/zinc/65/97/49/921659749.db2.gz DSUBFGBSPUADFV-HZSPNIEDSA-N 2 0 284.448 1.499 10 0 CDAERP C[C@@H]1[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCN1C ZINC000922556125 921671627 /nfs/dbraw/zinc/67/16/27/921671627.db2.gz YNHNBJFOWPBGQB-DOMZBBRYSA-N 2 0 271.368 1.450 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCCF ZINC001568139740 1169147112 /nfs/dbraw/zinc/14/71/12/1169147112.db2.gz WTWVQTVWPLTSBR-CABCVRRESA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@]2(C1)CCC[NH+](CCF)C2 ZINC001483832485 915104400 /nfs/dbraw/zinc/10/44/00/915104400.db2.gz JDTILCSJQSCSAX-MRXNPFEDSA-N 2 0 299.434 1.611 10 0 CDAERP C[C@H]1[C@H](NC(=O)NC2CC[NH+](C3CCC3)CC2)CC[N@@H+]1C ZINC000922768692 921798264 /nfs/dbraw/zinc/79/82/64/921798264.db2.gz KWJDDHTYBLYUEL-SWLSCSKDSA-N 2 0 294.443 1.395 10 0 CDAERP CCCC[NH2+]CC[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001484548389 915874187 /nfs/dbraw/zinc/87/41/87/915874187.db2.gz WZYQNLBPDMQPIO-HNNXBMFYSA-N 2 0 293.455 1.711 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]C/C=C/Cl)CCC1 ZINC001484663472 916012048 /nfs/dbraw/zinc/01/20/48/916012048.db2.gz VLDPUKQTNLXZFI-VMPITWQZSA-N 2 0 287.835 1.708 10 0 CDAERP C[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)C[NH2+]CCF ZINC001568198235 1169173909 /nfs/dbraw/zinc/17/39/09/1169173909.db2.gz KRQQLKGXOOKMCB-ZDUSSCGKSA-N 2 0 295.402 1.673 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]CCC1CC1 ZINC001485188664 916648172 /nfs/dbraw/zinc/64/81/72/916648172.db2.gz IQZXMGXHHWIWLQ-NWDGAFQWSA-N 2 0 255.406 1.221 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)[NH2+]Cc1ccccc1F ZINC001485188544 916648834 /nfs/dbraw/zinc/64/88/34/916648834.db2.gz MNUYHTLOEKBSFI-CHWSQXEVSA-N 2 0 295.402 1.760 10 0 CDAERP Cc1cc(C[NH2+][C@H](C)[C@H](C)NC(=O)CCC[NH+](C)C)on1 ZINC001485190280 916651341 /nfs/dbraw/zinc/65/13/41/916651341.db2.gz ZVGWLBXFSPLPPI-OLZOCXBDSA-N 2 0 296.415 1.308 10 0 CDAERP CC[C@H](C)C[N@H+](C)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001485311996 916796595 /nfs/dbraw/zinc/79/65/95/916796595.db2.gz GKANXBIBDUSFKZ-UONOGXRCSA-N 2 0 283.460 1.953 10 0 CDAERP CCCC[C@@H](C[NH2+]CC)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001485471534 917003315 /nfs/dbraw/zinc/00/33/15/917003315.db2.gz ISPWDDLVJBQXFP-OLZOCXBDSA-N 2 0 255.406 1.223 10 0 CDAERP CCC[NH2+]C[C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001485687118 917183834 /nfs/dbraw/zinc/18/38/34/917183834.db2.gz TXBDLBJLTPRFJO-KKUMJFAQSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)CCC[NH2+]C(C)C)[NH+](C)C ZINC001485745425 917253005 /nfs/dbraw/zinc/25/30/05/917253005.db2.gz UUQUNGWIGJTFIO-CHWSQXEVSA-N 2 0 257.422 1.610 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001568280651 1169222033 /nfs/dbraw/zinc/22/20/33/1169222033.db2.gz ANFMWRWBGNXWRN-LSDHHAIUSA-N 2 0 281.444 1.873 10 0 CDAERP O[C@H](C[NH2+][C@@H]1CC2CCC1CC2)C[NH+]1CCCC1 ZINC000386866176 936635384 /nfs/dbraw/zinc/63/53/84/936635384.db2.gz VFQQOYHFDYKBPV-NEXFUWMNSA-N 2 0 252.402 1.611 10 0 CDAERP CC(C)C[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC1(C)C ZINC001486239819 920834514 /nfs/dbraw/zinc/83/45/14/920834514.db2.gz FRDQFTWAMCSJPR-CQSZACIVSA-N 2 0 295.471 1.811 10 0 CDAERP CC(C)[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)(C)C ZINC001486403445 920988408 /nfs/dbraw/zinc/98/84/08/920988408.db2.gz OJJJVVQBLCTXRF-UONOGXRCSA-N 2 0 283.460 2.000 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H](C[NH2+]CCF)C(C)(C)C)[NH+](C)C ZINC001486419477 920990770 /nfs/dbraw/zinc/99/07/70/920990770.db2.gz BOESWIPRHSQNSX-CHWSQXEVSA-N 2 0 289.439 1.663 10 0 CDAERP CCCC[N@H+]1CC=C(CNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001486518569 921095637 /nfs/dbraw/zinc/09/56/37/921095637.db2.gz ARKXQADENKESIJ-HNNXBMFYSA-N 2 0 281.444 1.875 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)CC[NH2+]1 ZINC000702296556 922516445 /nfs/dbraw/zinc/51/64/45/922516445.db2.gz SNALNYMTICHPNL-APIJFGDWSA-N 3 0 251.418 1.258 10 0 CDAERP C[NH+]1CCN(C(C)(C)C[NH2+]C2CCC(C)(O)CC2)CC1 ZINC000702971982 922634744 /nfs/dbraw/zinc/63/47/44/922634744.db2.gz JYBGDMSXULBFEQ-UHFFFAOYSA-N 2 0 283.460 1.296 10 0 CDAERP CC[NH+](CC)CCC[NH2+][C@H](CC(=O)OC)C1CC1 ZINC001193251026 923567351 /nfs/dbraw/zinc/56/73/51/923567351.db2.gz TXBUBBMLEUVHIW-CYBMUJFWSA-N 2 0 256.390 1.650 10 0 CDAERP CCOCC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001491080636 936852223 /nfs/dbraw/zinc/85/22/23/936852223.db2.gz REWVWSLVBJYMCR-ZQDZILKHSA-N 2 0 297.443 1.133 10 0 CDAERP c1ccc([C@H]2CC[N@@H+](C[C@H]3CC4(C[NH2+]C4)CO3)C2)cc1 ZINC000923302805 923725064 /nfs/dbraw/zinc/72/50/64/923725064.db2.gz DNRGIKBKBJICAH-JKSUJKDBSA-N 2 0 272.392 1.854 10 0 CDAERP CCC[N@@H+]1CCC[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001491117538 936860304 /nfs/dbraw/zinc/86/03/04/936860304.db2.gz IQZHUHBZAUHJLK-HUUCEWRRSA-N 2 0 281.444 1.566 10 0 CDAERP CC[NH+](CC)CCN(CC(C)C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923320572 923742220 /nfs/dbraw/zinc/74/22/20/923742220.db2.gz AJIFMMNHAIQHPG-MRXNPFEDSA-N 2 0 297.487 1.665 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001491140965 936865236 /nfs/dbraw/zinc/86/52/36/936865236.db2.gz CKFFINBERPCEFY-CABCVRRESA-N 2 0 281.444 1.565 10 0 CDAERP CC1([NH+]2CCCCC2)CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923420347 923826336 /nfs/dbraw/zinc/82/63/36/923826336.db2.gz JWSUHLZCLQJEBI-KKUMJFAQSA-N 2 0 281.444 1.177 10 0 CDAERP CO[C@H]1C[C@@H](C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)C1 ZINC000923443533 923831826 /nfs/dbraw/zinc/83/18/26/923831826.db2.gz FNIGTWJPUNUIFW-HZSPNIEDSA-N 2 0 268.401 1.241 10 0 CDAERP CCN(CC)C(=O)[C@@H](C)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923456896 923840112 /nfs/dbraw/zinc/84/01/12/923840112.db2.gz ZTOFSFHTTCGCMJ-ZIAGYGMSSA-N 2 0 297.443 1.073 10 0 CDAERP C[C@@H]1C[N@H+](Cc2cc(=O)n3ccccc3n2)CC[C@H]1C[NH3+] ZINC000923502602 923882459 /nfs/dbraw/zinc/88/24/59/923882459.db2.gz CKQQJLMMDJUFCN-OLZOCXBDSA-N 2 0 286.379 1.111 10 0 CDAERP CC(C)Cc1noc(CN2CC[C@@H](C[NH3+])[C@@H](C)C2)n1 ZINC000923502154 923882864 /nfs/dbraw/zinc/88/28/64/923882864.db2.gz XQIPQWZEZDYLDK-RYUDHWBXSA-N 2 0 266.389 1.685 10 0 CDAERP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923500957 923885105 /nfs/dbraw/zinc/88/51/05/923885105.db2.gz SMMINXORKFLFOW-FRRDWIJNSA-N 2 0 269.433 1.596 10 0 CDAERP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1)N1CCCC1 ZINC000923506198 923886824 /nfs/dbraw/zinc/88/68/24/923886824.db2.gz GGDKGXHNGHXWJW-OAHLLOKOSA-N 2 0 293.455 1.711 10 0 CDAERP Cc1cc(C[NH3+])cc(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC001118270704 924091998 /nfs/dbraw/zinc/09/19/98/924091998.db2.gz NHUAOBMENQRIAT-ZIAGYGMSSA-N 2 0 261.369 1.910 10 0 CDAERP COCC[NH2+]C1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001491356855 936897999 /nfs/dbraw/zinc/89/79/99/936897999.db2.gz VKZXXIONVXMMDO-NRXISQOPSA-N 2 0 297.443 1.134 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]C(C)C ZINC001491503035 936926232 /nfs/dbraw/zinc/92/62/32/936926232.db2.gz DQBLRTGXNSQPKO-KGLIPLIRSA-N 2 0 269.433 1.610 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2[C@H]3C[NH+](CC4CC4)C[C@H]32)C1 ZINC001410105511 925047909 /nfs/dbraw/zinc/04/79/09/925047909.db2.gz CKIZDLWAAZQAHB-QCEMKRCNSA-N 2 0 291.439 1.032 10 0 CDAERP C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1)[NH2+]C/C=C\Cl ZINC001410378918 925583053 /nfs/dbraw/zinc/58/30/53/925583053.db2.gz KMYJWJILZRUBSX-CRTFULIASA-N 2 0 296.802 1.702 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001433663027 925769598 /nfs/dbraw/zinc/76/95/98/925769598.db2.gz CSLKIXATYMSJNZ-UKRRQHHQSA-N 2 0 281.444 1.659 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]C/C=C/Cl ZINC001410521261 925870141 /nfs/dbraw/zinc/87/01/41/925870141.db2.gz USNPZRHQDJJWSG-NNNHXZLVSA-N 2 0 275.824 1.516 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001488852169 926720900 /nfs/dbraw/zinc/72/09/00/926720900.db2.gz VOPODMCSNCBEFU-KOMQPUFPSA-N 2 0 293.455 1.779 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]CCC2CC2)C(C)(C)C1 ZINC001410980768 926846024 /nfs/dbraw/zinc/84/60/24/926846024.db2.gz KAYHDRVZFIVGTP-CQSZACIVSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1C ZINC001489271234 926862874 /nfs/dbraw/zinc/86/28/74/926862874.db2.gz GOWUSAJHBFFGHE-NFAWXSAZSA-N 2 0 299.434 1.798 10 0 CDAERP CC(C)=CC[N@@H+]1CCC[C@@H](NC(=O)CCc2c[nH]cn2)C1 ZINC001490440781 927160250 /nfs/dbraw/zinc/16/02/50/927160250.db2.gz XVSSOINDZKWEDG-OAHLLOKOSA-N 2 0 290.411 1.889 10 0 CDAERP C[NH+](C)CCCCCCCNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000851655478 927598744 /nfs/dbraw/zinc/59/87/44/927598744.db2.gz QUYKBLNWHRCXFW-UHFFFAOYSA-N 2 0 296.459 1.631 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCN(C)C(=O)CC[NH+](C)C ZINC001568494816 1169327727 /nfs/dbraw/zinc/32/77/27/1169327727.db2.gz OFNCPSXWIMAFDL-ZDUSSCGKSA-N 2 0 257.422 1.374 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)N2CCC[N@H+](C)CC2)C1 ZINC001135486773 930221573 /nfs/dbraw/zinc/22/15/73/930221573.db2.gz GPQNOFFIMOJUCL-KBPBESRZSA-N 2 0 267.417 1.271 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001275156607 931682810 /nfs/dbraw/zinc/68/28/10/931682810.db2.gz GLMHZGNMROHRPA-ZFWWWQNUSA-N 2 0 279.428 1.389 10 0 CDAERP COCCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001275334687 931737483 /nfs/dbraw/zinc/73/74/83/931737483.db2.gz QTWQCEOEZRQIMW-GJZGRUSLSA-N 2 0 299.459 1.380 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001442006886 931771542 /nfs/dbraw/zinc/77/15/42/931771542.db2.gz YNXCPOPOIVXYID-ZIAGYGMSSA-N 2 0 283.460 1.859 10 0 CDAERP C[NH+](C)C1(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCCC1 ZINC001411670265 931951248 /nfs/dbraw/zinc/95/12/48/931951248.db2.gz OXXNNWXFALPFPR-ZDUSSCGKSA-N 2 0 279.428 1.461 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)CCCCCF ZINC001275793577 932041452 /nfs/dbraw/zinc/04/14/52/932041452.db2.gz UUOUJKGKWQIRDW-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)N(C)CCC[NH+](C)C)CC1 ZINC001411949171 932171485 /nfs/dbraw/zinc/17/14/85/932171485.db2.gz IHLVLRUHUQCNMU-UHFFFAOYSA-N 2 0 283.460 1.765 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)[C@H](C)CC[NH+](C)C ZINC001412530349 932470819 /nfs/dbraw/zinc/47/08/19/932470819.db2.gz SZTJIDAFBBAZPP-CQSZACIVSA-N 2 0 271.449 1.620 10 0 CDAERP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C1([NH+](C)C)CCCC1 ZINC001412579712 932518446 /nfs/dbraw/zinc/51/84/46/932518446.db2.gz RBDXTUYJHAGJBY-CQSZACIVSA-N 2 0 281.444 1.661 10 0 CDAERP [NH3+]CCC1CCN(C(=O)[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC001118272818 937611273 /nfs/dbraw/zinc/61/12/73/937611273.db2.gz JQLLQGFYQGYCCF-STQMWFEESA-N 2 0 253.390 1.091 10 0 CDAERP C[NH+]1CCN(c2ccccc2CNC(=[NH2+])NC2CC2)CC1 ZINC001118410808 937625553 /nfs/dbraw/zinc/62/55/53/937625553.db2.gz FQQQCLBMKLGFJC-UHFFFAOYSA-N 2 0 287.411 1.215 10 0 CDAERP CC[C@H](C[C@@](C)(O)CC)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000924657075 932808663 /nfs/dbraw/zinc/80/86/63/932808663.db2.gz FJPXEQSWKSHDDX-SJORKVTESA-N 2 0 299.503 1.933 10 0 CDAERP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)[C@H]2C[C@H]2C(=O)OC)C1 ZINC001118483208 937632342 /nfs/dbraw/zinc/63/23/42/937632342.db2.gz XJHVGOWHIVZNOV-AAVRWANBSA-N 2 0 268.401 1.506 10 0 CDAERP CN(C)C(=O)C1(C[NH2+]C2[C@@H]3CC[C@H]2C[N@@H+](C)C3)CCCC1 ZINC000925055246 932847340 /nfs/dbraw/zinc/84/73/40/932847340.db2.gz SYOYEQPUAKICJV-YIONKMFJSA-N 2 0 293.455 1.565 10 0 CDAERP CC(C)CN1CCO[C@H](C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925512255 932896595 /nfs/dbraw/zinc/89/65/95/932896595.db2.gz BSKNOOPCTUDXCV-BZUAXINKSA-N 2 0 297.487 1.839 10 0 CDAERP Cc1nccn1CC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925535112 932901053 /nfs/dbraw/zinc/90/10/53/932901053.db2.gz SYUKPGYNLBAOCB-HZPDHXFCSA-N 2 0 276.428 1.949 10 0 CDAERP C[C@H](COCC(F)(F)F)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925600094 932911628 /nfs/dbraw/zinc/91/16/28/932911628.db2.gz DOCHPAMSUNRMNI-OPRDCNLKSA-N 2 0 266.307 1.813 10 0 CDAERP OC1(CC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CCOCC1 ZINC000925670531 932924705 /nfs/dbraw/zinc/92/47/05/932924705.db2.gz LWEFDHKIDWJTTL-HOTGVXAUSA-N 2 0 296.455 1.676 10 0 CDAERP CNC(=O)CC1(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)CCCCC1 ZINC000925715079 932931484 /nfs/dbraw/zinc/93/14/84/932931484.db2.gz CJROOJATZBDDEB-UONOGXRCSA-N 2 0 293.455 1.933 10 0 CDAERP [NH3+][C@@H]1CCCCC[C@@H]1NC[C@H]1C[NH2+]CCC1(F)F ZINC000925777132 932938152 /nfs/dbraw/zinc/93/81/52/932938152.db2.gz OGLQADUBOAJKSN-UTUOFQBUSA-N 2 0 261.360 1.481 10 0 CDAERP COCCC[C@H](C)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925784808 932939360 /nfs/dbraw/zinc/93/93/60/932939360.db2.gz SJOUNMFDMNVENP-WDEREUQCSA-N 2 0 250.333 1.636 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@H]2CCc3c2cc(F)cc3F)CC1 ZINC000925816418 932941920 /nfs/dbraw/zinc/94/19/20/932941920.db2.gz XTRFKKSTWPWGKU-INIZCTEOSA-N 2 0 295.377 1.965 10 0 CDAERP CC[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)[C@@H]1CCOC1 ZINC000925856111 932947263 /nfs/dbraw/zinc/94/72/63/932947263.db2.gz WJCOVZQQDWDIQW-RDBSUJKOSA-N 2 0 296.411 1.076 10 0 CDAERP C[C@H]1COC[C@@H]1[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000926634174 933007527 /nfs/dbraw/zinc/00/75/27/933007527.db2.gz FEPVUBTUJIQKAR-ORQFMDKSSA-N 2 0 274.408 1.956 10 0 CDAERP COC(=O)/C=C(\C)C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000931467025 933567279 /nfs/dbraw/zinc/56/72/79/933567279.db2.gz GXBBONCXMHVREU-WYMLVPIESA-N 2 0 280.412 1.914 10 0 CDAERP CCC1([NH+]2CCCCC2)CCN(C[C@@H](O)[C@H](C)O)CC1 ZINC000931684178 933607494 /nfs/dbraw/zinc/60/74/94/933607494.db2.gz OTRCUXVBKHATDI-LSDHHAIUSA-N 2 0 284.444 1.459 10 0 CDAERP FC(F)(F)[C@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000687574271 934313419 /nfs/dbraw/zinc/31/34/19/934313419.db2.gz IEUFQILFWGFNCQ-WDEREUQCSA-N 2 0 266.307 1.639 10 0 CDAERP C1C[C@@H]2C[C@H]([NH2+][C@@H]3CCCN4CCSC[C@@H]34)CC[N@@H+]2C1 ZINC000718436583 934820585 /nfs/dbraw/zinc/82/05/85/934820585.db2.gz NXRKVIIUFJKBGN-FPCVCCKLSA-N 2 0 295.496 1.783 10 0 CDAERP CC(C)[NH2+]CCCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001276332993 935016355 /nfs/dbraw/zinc/01/63/55/935016355.db2.gz NJIVTZIHKCJMLS-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP CCN(CC[NH2+]CCOC1CCC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001568730374 1169452494 /nfs/dbraw/zinc/45/24/94/1169452494.db2.gz ABOBBPLRFPJSGF-OAHLLOKOSA-N 2 0 297.443 1.088 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2nnc3ccccn32)C12CCC2 ZINC000405255730 940976984 /nfs/dbraw/zinc/97/69/84/940976984.db2.gz MCIAFERTTSLPTP-VXGBXAGGSA-N 2 0 271.368 1.131 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)CC[NH+]1CC[C@@H](F)C1 ZINC001362034188 970799769 /nfs/dbraw/zinc/79/97/69/970799769.db2.gz ZGUKOVULRQWGIA-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP CCCCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001276808759 941392807 /nfs/dbraw/zinc/39/28/07/941392807.db2.gz BRSBTSPWXNPSFO-KBPBESRZSA-N 2 0 267.417 1.461 10 0 CDAERP CCN1CC[C@H]1C(=O)NC[C@H](CC(C)C)[NH+](CC)CC ZINC001362044486 970811706 /nfs/dbraw/zinc/81/17/06/970811706.db2.gz YVXDADWADKHXMD-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1CC1CCCC1 ZINC001276916656 941694946 /nfs/dbraw/zinc/69/49/46/941694946.db2.gz UFPAFCLNJHVZHI-AWEZNQCLSA-N 2 0 267.417 1.319 10 0 CDAERP CC[C@@H](C[NH2+]CCN(CC)C(=O)C1CC[NH+](C)CC1)OC ZINC001568771939 1169469468 /nfs/dbraw/zinc/46/94/68/1169469468.db2.gz BDZKJIZPCGVLFD-HNNXBMFYSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)CCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001277245533 942237392 /nfs/dbraw/zinc/23/73/92/942237392.db2.gz FWFVYXMMXZOFNT-CQSZACIVSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH+](C)CC1CC1 ZINC001282411934 942709712 /nfs/dbraw/zinc/70/97/12/942709712.db2.gz LLLISGYNFVVRJU-TZMCWYRMSA-N 2 0 267.417 1.317 10 0 CDAERP CC[NH2+][C@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC001283449691 942899100 /nfs/dbraw/zinc/89/91/00/942899100.db2.gz OHGMIFBQDFPMKC-KGLIPLIRSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)[NH2+][C@H](C)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001283702193 942972647 /nfs/dbraw/zinc/97/26/47/942972647.db2.gz JHCURORAEWHXQX-OLZOCXBDSA-N 2 0 255.406 1.173 10 0 CDAERP CC(C)CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001284001045 943044923 /nfs/dbraw/zinc/04/49/23/943044923.db2.gz ADSIBFBBHOJONS-ZIAGYGMSSA-N 2 0 269.433 1.563 10 0 CDAERP CC/C=C/CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001263827942 943991584 /nfs/dbraw/zinc/99/15/84/943991584.db2.gz UTHAHFPCIVCXQJ-BECQNTKZSA-N 2 0 293.455 1.921 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CCCF)C1 ZINC001264114934 944080702 /nfs/dbraw/zinc/08/07/02/944080702.db2.gz NWPWDIMKPVLZMG-GJZGRUSLSA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)[N@H+](C)CCOCCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001264667606 944160156 /nfs/dbraw/zinc/16/01/56/944160156.db2.gz HKKLLWVTFLKLLT-OAHLLOKOSA-N 2 0 299.459 1.143 10 0 CDAERP CC/C=C\CC[N@H+](C)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001265058470 944218224 /nfs/dbraw/zinc/21/82/24/944218224.db2.gz VKLQYSIIVXWSOO-PLNGDYQASA-N 2 0 293.455 1.877 10 0 CDAERP CC(C)C[C@H](CNC(=O)CC[N@@H+]1CC[C@@H](F)C1)[NH+](C)C ZINC001362250072 971071709 /nfs/dbraw/zinc/07/17/09/971071709.db2.gz SXXRJUPIDNRRKL-ZIAGYGMSSA-N 2 0 287.423 1.513 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C[NH2+]CCF)C2)C1 ZINC001265624246 944449889 /nfs/dbraw/zinc/44/98/89/944449889.db2.gz OLXVEECBJTZRAK-KBPBESRZSA-N 2 0 285.407 1.126 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H](C[NH2+]CCF)C1 ZINC001265986444 944616531 /nfs/dbraw/zinc/61/65/31/944616531.db2.gz GBRBRUAQTBABCV-ZIAGYGMSSA-N 2 0 285.407 1.268 10 0 CDAERP CC(C)OCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001266146166 944712901 /nfs/dbraw/zinc/71/29/01/944712901.db2.gz JUDDCGCLSPAPRJ-RBSFLKMASA-N 2 0 299.459 1.236 10 0 CDAERP CCCC[NH2+]C/C=C\CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001568872020 1169526976 /nfs/dbraw/zinc/52/69/76/1169526976.db2.gz SCJBLSGCBWGINZ-PLNGDYQASA-N 2 0 293.455 1.925 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001362345319 971175767 /nfs/dbraw/zinc/17/57/67/971175767.db2.gz GULYYURTUNQCLM-GDBMZVCRSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@H+](C)C[C@@H]1CC[NH+](CC2CCC(O)CC2)C1 ZINC001261252198 946016882 /nfs/dbraw/zinc/01/68/82/946016882.db2.gz BCZSCIOVDKHXBU-SLTAFYQDSA-N 2 0 254.418 1.811 10 0 CDAERP CC[N@H+](C)C[C@H]1CC[NH+](CC2CCC(O)CC2)C1 ZINC001261252197 946018083 /nfs/dbraw/zinc/01/80/83/946018083.db2.gz BCZSCIOVDKHXBU-SHARSMKWSA-N 2 0 254.418 1.811 10 0 CDAERP CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H]1C ZINC001479719232 971383255 /nfs/dbraw/zinc/38/32/55/971383255.db2.gz OZPGMWQALZDIFQ-FRRDWIJNSA-N 2 0 255.406 1.172 10 0 CDAERP COCC[N@@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCCC2)C1 ZINC001362592223 971435587 /nfs/dbraw/zinc/43/55/87/971435587.db2.gz WNYVRSPJOZPOKS-CQSZACIVSA-N 2 0 297.443 1.088 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CC[C@H](F)C1 ZINC001362644374 971488508 /nfs/dbraw/zinc/48/85/08/971488508.db2.gz LHBUFRKKDGTWHW-KBPBESRZSA-N 2 0 285.407 1.411 10 0 CDAERP CC[C@H](F)C[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001480065967 971560385 /nfs/dbraw/zinc/56/03/85/971560385.db2.gz VSWHCZVLZLKGHN-UONOGXRCSA-N 2 0 285.407 1.315 10 0 CDAERP CC[C@H](F)C[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001480065964 971561204 /nfs/dbraw/zinc/56/12/04/971561204.db2.gz VSWHCZVLZLKGHN-KBPBESRZSA-N 2 0 285.407 1.315 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001480138173 971598858 /nfs/dbraw/zinc/59/88/58/971598858.db2.gz GEYZYTSQJXCSLD-KBUPBQIOSA-N 2 0 281.444 1.754 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001480187840 971617515 /nfs/dbraw/zinc/61/75/15/971617515.db2.gz DWGHFQHCLRLRIY-JKSUJKDBSA-N 2 0 295.471 1.907 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@](C)(C[NH2+]CCF)C2)C1 ZINC001278550073 949975780 /nfs/dbraw/zinc/97/57/80/949975780.db2.gz KDBCQTBQDRDPTR-ZFWWWQNUSA-N 2 0 285.407 1.126 10 0 CDAERP Cc1csc(C[NH2+][C@H]2C[C@@H](NC(=O)CC[NH+](C)C)C2)n1 ZINC001480219618 971635202 /nfs/dbraw/zinc/63/52/02/971635202.db2.gz CKEUMIYYGFTHKV-TXEJJXNPSA-N 2 0 296.440 1.140 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cncs2)C1 ZINC001480233227 971640156 /nfs/dbraw/zinc/64/01/56/971640156.db2.gz XRCIDIWEPXFXJI-TXEJJXNPSA-N 2 0 296.440 1.222 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001480275520 971656351 /nfs/dbraw/zinc/65/63/51/971656351.db2.gz BJNLORHWKGZMQW-HZPDHXFCSA-N 2 0 293.455 1.875 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)CC1 ZINC001362975573 971777605 /nfs/dbraw/zinc/77/76/05/971777605.db2.gz DQHVQZSNIBAUSL-HZPDHXFCSA-N 2 0 295.471 1.953 10 0 CDAERP C[N@@H+]1CCN(C(=O)CC[NH+]2CC[C@H](F)C2)C[C@H]1C(C)(C)C ZINC001362981675 971784382 /nfs/dbraw/zinc/78/43/82/971784382.db2.gz XCZDWYGOPJXAAL-KBPBESRZSA-N 2 0 299.434 1.609 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]([NH2+]CCCF)C2)C1 ZINC001480619382 971811251 /nfs/dbraw/zinc/81/12/51/971811251.db2.gz VBIXNHXGLJRNNQ-GJZGRUSLSA-N 2 0 299.434 1.659 10 0 CDAERP CCCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001480753452 971863415 /nfs/dbraw/zinc/86/34/15/971863415.db2.gz GVPPDQSBDVRATD-OLZOCXBDSA-N 2 0 255.406 1.365 10 0 CDAERP Cc1ncc(C[NH2+][C@H](C)CCNC(=O)CC[NH+](C)C)s1 ZINC001480789658 971881254 /nfs/dbraw/zinc/88/12/54/971881254.db2.gz HEWXHGRXPUOEGX-LLVKDONJSA-N 2 0 298.456 1.388 10 0 CDAERP COCCC[NH+]1CCC(C)(CNC(=O)CC[NH+](C)C)CC1 ZINC001324887400 953623691 /nfs/dbraw/zinc/62/36/91/953623691.db2.gz WOLDUCWQWWXFBP-UHFFFAOYSA-N 2 0 299.459 1.193 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](C[NH2+]C(C)C)C1 ZINC001325583756 953973119 /nfs/dbraw/zinc/97/31/19/953973119.db2.gz WZIGZGCLZKVCMR-KGLIPLIRSA-N 2 0 269.433 1.421 10 0 CDAERP CCCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001325598402 953977854 /nfs/dbraw/zinc/97/78/54/953977854.db2.gz KMPOJCFTJNPNSR-GJZGRUSLSA-N 2 0 283.460 1.811 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@H](CC[NH2+]CCF)C1 ZINC001326290764 954304945 /nfs/dbraw/zinc/30/49/45/954304945.db2.gz QEKYQECKEKCYPE-GJZGRUSLSA-N 2 0 299.434 1.659 10 0 CDAERP C[C@@H]1CC[C@@H]1NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001364294784 954433757 /nfs/dbraw/zinc/43/37/57/954433757.db2.gz WXWXQBQMZHVHRK-TUVASFSCSA-N 2 0 296.459 1.166 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC001326627807 954463067 /nfs/dbraw/zinc/46/30/67/954463067.db2.gz RXLSIOXBYOQPKZ-BFHYXJOUSA-N 2 0 269.433 1.741 10 0 CDAERP O[C@@H]1CC[N@@H+](C2CC[NH+](C[C@H]3CCCC[C@@H]3O)CC2)C1 ZINC001363265592 972032606 /nfs/dbraw/zinc/03/26/06/972032606.db2.gz AWTJQIRQHNUDIT-BMFZPTHFSA-N 2 0 282.428 1.069 10 0 CDAERP CC[C@@H](C)C[N@H+](CCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001493445993 972054453 /nfs/dbraw/zinc/05/44/53/972054453.db2.gz UIUMGWPAKBMTEZ-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP COCC[NH2+]C1(C)CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001328037756 955168638 /nfs/dbraw/zinc/16/86/38/955168638.db2.gz BOHQKUCANZAPAH-UHFFFAOYSA-N 2 0 299.459 1.335 10 0 CDAERP CCOC(=O)CC[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001364837786 955216751 /nfs/dbraw/zinc/21/67/51/955216751.db2.gz OLMYDGULJDRUIF-UHFFFAOYSA-N 2 0 298.427 1.252 10 0 CDAERP CC[C@@H]1CN(C(=O)CC[N@@H+]2CC[C@H](F)C2)C[C@H](C)[NH2+]1 ZINC001363315445 972079824 /nfs/dbraw/zinc/07/98/24/972079824.db2.gz IQIGSTWGMJOZPV-RWMBFGLXSA-N 2 0 271.380 1.019 10 0 CDAERP CC/C=C/CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001491828656 955455018 /nfs/dbraw/zinc/45/50/18/955455018.db2.gz WNHAEWXBOHKOTN-FZZYSBJUSA-N 2 0 293.455 1.875 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH2+]Cc1cncs1 ZINC001421676426 955471070 /nfs/dbraw/zinc/47/10/70/955471070.db2.gz NVGAOJYZKPOOPY-YPMHNXCESA-N 2 0 296.440 1.079 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H]([N@H+](C)CCCF)C1 ZINC001491946920 955541021 /nfs/dbraw/zinc/54/10/21/955541021.db2.gz LQESVCOSMHUSKQ-CYBMUJFWSA-N 2 0 273.396 1.221 10 0 CDAERP C[C@H](C[NH2+]CC1CC(C)C1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001421998436 955692373 /nfs/dbraw/zinc/69/23/73/955692373.db2.gz VITFGEWVPAFXFS-SHARSMKWSA-N 2 0 293.455 1.565 10 0 CDAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]Cc1ccsc1 ZINC001422061571 955723684 /nfs/dbraw/zinc/72/36/84/955723684.db2.gz LZXUBXOJVVOEIO-JSGCOSHPSA-N 2 0 295.452 1.636 10 0 CDAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]CC1CCCCC1 ZINC001422062719 955727774 /nfs/dbraw/zinc/72/77/74/955727774.db2.gz MRUJYBIWPMTVJH-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[C@H]3CCCC[NH+]3C)[C@H]2C1 ZINC001365223467 955747176 /nfs/dbraw/zinc/74/71/76/955747176.db2.gz YJPBFLUQECAHFU-FZKCQIBNSA-N 2 0 293.455 1.707 10 0 CDAERP CC(C)[NH2+][C@@H](C)[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001422390901 955980767 /nfs/dbraw/zinc/98/07/67/955980767.db2.gz QHWXFIDRVYKUHO-UONOGXRCSA-N 2 0 283.460 1.998 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)CC1CC(C)(C)C1 ZINC001422477842 956059272 /nfs/dbraw/zinc/05/92/72/956059272.db2.gz GKGWGJWAMVFSNX-HIFRSBDPSA-N 2 0 295.471 1.953 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H](C)[N@H+](C)C(C)C ZINC001422530168 956121680 /nfs/dbraw/zinc/12/16/80/956121680.db2.gz ZTZZBPBIAPGZFP-CHWSQXEVSA-N 2 0 275.412 1.511 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH+](C)CC2CCC2)CC[N@@H+]1C ZINC001422809445 956377101 /nfs/dbraw/zinc/37/71/01/956377101.db2.gz KIKAORPGXOVZPU-CWRNSKLLSA-N 2 0 295.471 1.953 10 0 CDAERP CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC[NH+](C)C ZINC001365878303 956419961 /nfs/dbraw/zinc/41/99/61/956419961.db2.gz UKSAELNDHYFSON-VHDGCEQUSA-N 2 0 281.444 1.563 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC2CC2)C1)[NH+](C)C ZINC001422916283 956447706 /nfs/dbraw/zinc/44/77/06/956447706.db2.gz PSQFZUJXQACTOM-RBSFLKMASA-N 2 0 281.444 1.467 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H](C[NH2+]CC2CCC2)C2CC2)C1 ZINC001423053992 956546386 /nfs/dbraw/zinc/54/63/86/956546386.db2.gz ZKWVKFHIWWNUBP-HOCLYGCPSA-N 2 0 293.455 1.613 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]CC2CCC2)C2CC2)C1 ZINC001423060828 956551314 /nfs/dbraw/zinc/55/13/14/956551314.db2.gz OBVUXNPFJBCMPQ-HUUCEWRRSA-N 2 0 279.428 1.223 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H]2C[N@H+](CC3CC3)CC[C@H]21 ZINC001366141689 956598793 /nfs/dbraw/zinc/59/87/93/956598793.db2.gz FBTGEWCBXXSTLW-JKSUJKDBSA-N 2 0 293.455 1.661 10 0 CDAERP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@H+]1CC[C@H](C)F ZINC001423181058 956650632 /nfs/dbraw/zinc/65/06/32/956650632.db2.gz MHJCDVMJWHHASI-QWHCGFSZSA-N 2 0 273.396 1.265 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001423204892 956668791 /nfs/dbraw/zinc/66/87/91/956668791.db2.gz ZOSJOJLMAAWPFP-NEPJUHHUSA-N 2 0 271.380 1.067 10 0 CDAERP C[C@@H]1[C@H]([NH2+]Cc2ccccc2)CCN1C(=O)CC[NH+](C)C ZINC001423323574 956724298 /nfs/dbraw/zinc/72/42/98/956724298.db2.gz KYVGWQJFTGTWDD-GDBMZVCRSA-N 2 0 289.423 1.717 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001423499633 956817148 /nfs/dbraw/zinc/81/71/48/956817148.db2.gz XUNKYUCRZXKBLG-UONOGXRCSA-N 2 0 297.418 1.411 10 0 CDAERP CC[N@@H+]1CC[C@](C)(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001423577623 956872623 /nfs/dbraw/zinc/87/26/23/956872623.db2.gz LBCYLLLBNVGCIH-HOCLYGCPSA-N 2 0 281.444 1.851 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)CC1CC1 ZINC001316827662 957053675 /nfs/dbraw/zinc/05/36/75/957053675.db2.gz UZVQFIZPMCDGQH-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@H](C)COC ZINC001366624495 957053982 /nfs/dbraw/zinc/05/39/82/957053982.db2.gz CEKNDRLAYQUBBH-ZNMIVQPWSA-N 2 0 299.459 1.190 10 0 CDAERP COCCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001316881252 957086423 /nfs/dbraw/zinc/08/64/23/957086423.db2.gz UMJJRHPULKYLJP-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP CCC[N@H+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)C1CC1 ZINC001366740765 957157348 /nfs/dbraw/zinc/15/73/48/957157348.db2.gz DNHNZLODZUALSC-CVEARBPZSA-N 2 0 293.455 1.994 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001317108336 957275313 /nfs/dbraw/zinc/27/53/13/957275313.db2.gz BXWMBCLPLQYFEF-OWCLPIDISA-N 2 0 291.439 1.531 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CC2)C1 ZINC001317124366 957288735 /nfs/dbraw/zinc/28/87/35/957288735.db2.gz JOYXWMHWPXWBKB-OKILXGFUSA-N 2 0 267.417 1.365 10 0 CDAERP [NH3+][C@H]1CC=C(c2nc([C@@H]3C[NH+]4CCC3CC4)no2)C1 ZINC001331845953 957296866 /nfs/dbraw/zinc/29/68/66/957296866.db2.gz ARZGRNKPZSWKJU-NWDGAFQWSA-N 2 0 260.341 1.383 10 0 CDAERP CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CCF)C1)[NH+](C)C ZINC001317158013 957310442 /nfs/dbraw/zinc/31/04/42/957310442.db2.gz OXJKCKATAOZIJJ-STQMWFEESA-N 2 0 273.396 1.124 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001367011573 957324218 /nfs/dbraw/zinc/32/42/18/957324218.db2.gz WVLOIARVLINWMK-AWEZNQCLSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)=CC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001331930520 957342617 /nfs/dbraw/zinc/34/26/17/957342617.db2.gz YADAPYUWNJGGOL-LSDHHAIUSA-N 2 0 291.439 1.627 10 0 CDAERP CC/C=C/CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001317242485 957373876 /nfs/dbraw/zinc/37/38/76/957373876.db2.gz QVEBJYUTEFNNKI-XIKIYNFVSA-N 2 0 281.444 1.777 10 0 CDAERP Cc1c(C(=O)NC[C@H](C)[NH2+]CCCF)ccc2c[nH+]cn21 ZINC001317260126 957385804 /nfs/dbraw/zinc/38/58/04/957385804.db2.gz NZSYJQGLPMLADP-NSHDSACASA-N 2 0 292.358 1.710 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](C[NH2+]C/C=C\Cl)C2)C1 ZINC001317341852 957430891 /nfs/dbraw/zinc/43/08/91/957430891.db2.gz CSRZXABFECJRHL-KZUJRYBGSA-N 2 0 285.819 1.129 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)[N@H+](C)C(C)C)[NH+](CC)CC ZINC001425005713 957431954 /nfs/dbraw/zinc/43/19/54/957431954.db2.gz BQCDACFOEOKXPW-UONOGXRCSA-N 2 0 271.449 1.952 10 0 CDAERP CC(C)CC[NH+]1CC(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001494606230 972268011 /nfs/dbraw/zinc/26/80/11/972268011.db2.gz GMLFVYIRRGXCTC-UHFFFAOYSA-N 2 0 295.471 1.812 10 0 CDAERP CC[NH2+]CC1(NC(=O)C[C@H]2CC[N@H+](C)C2)CCCCC1 ZINC001425167799 957480511 /nfs/dbraw/zinc/48/05/11/957480511.db2.gz RXSGEWJKCBVFTQ-CQSZACIVSA-N 2 0 281.444 1.757 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001317530695 957533750 /nfs/dbraw/zinc/53/37/50/957533750.db2.gz JSYNOWUQJANXEH-JKSUJKDBSA-N 2 0 295.471 1.977 10 0 CDAERP CCC[NH2+][C@H](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001425472128 957539561 /nfs/dbraw/zinc/53/95/61/957539561.db2.gz OLZJKTVYBNACND-HZPDHXFCSA-N 2 0 295.471 1.859 10 0 CDAERP CC[C@H](F)C[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001317597515 957590413 /nfs/dbraw/zinc/59/04/13/957590413.db2.gz HWNGSGAPPIKMHR-QJPTWQEYSA-N 2 0 282.363 1.309 10 0 CDAERP CC(C)CC[NH2+][C@H](C)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001425681225 957599184 /nfs/dbraw/zinc/59/91/84/957599184.db2.gz OFFWMUOQRGJGCB-CABCVRRESA-N 2 0 283.460 1.811 10 0 CDAERP CC[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]CC1CC1 ZINC001367103629 957677665 /nfs/dbraw/zinc/67/76/65/957677665.db2.gz RXZDUIYVKVZSIH-LSDHHAIUSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H](F)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC[NH+](C)C ZINC001494682202 972287547 /nfs/dbraw/zinc/28/75/47/972287547.db2.gz YXIYEHJKEKSKAO-ILXRZTDVSA-N 2 0 299.434 1.752 10 0 CDAERP CC(C)[NH2+]C[C@@](C)(NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001367189323 957834681 /nfs/dbraw/zinc/83/46/81/957834681.db2.gz CCTLTNOBBKGYOY-XJKSGUPXSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001367200042 957839768 /nfs/dbraw/zinc/83/97/68/957839768.db2.gz IEQGBISLASUSFU-LXTVHRRPSA-N 2 0 299.434 1.703 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+]Cc1ccccc1 ZINC001367269271 957896559 /nfs/dbraw/zinc/89/65/59/957896559.db2.gz LKAUQUIWAZFHFZ-CQSZACIVSA-N 2 0 277.412 1.480 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](CCCCCF)C2)C1 ZINC001318172424 957954738 /nfs/dbraw/zinc/95/47/38/957954738.db2.gz AJACSQLLBXNJQU-AWEZNQCLSA-N 2 0 285.407 1.126 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001318273132 958012659 /nfs/dbraw/zinc/01/26/59/958012659.db2.gz LVIOWOHNEHMJQT-AWEZNQCLSA-N 2 0 267.417 1.485 10 0 CDAERP CC/C=C/CC[NH2+][C@H](CC)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001318603092 958193072 /nfs/dbraw/zinc/19/30/72/958193072.db2.gz NUKYHZGBNCJEKW-MFHOCJEASA-N 2 0 281.444 1.779 10 0 CDAERP CC[NH2+]CC[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001318806360 958268494 /nfs/dbraw/zinc/26/84/94/958268494.db2.gz VEXOOHMGNOHCDS-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]CC1CC1 ZINC001367936859 958493496 /nfs/dbraw/zinc/49/34/96/958493496.db2.gz IXVRDKVJXQKMGS-LSDHHAIUSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CCCF)[NH+](C)C ZINC001319533727 958614789 /nfs/dbraw/zinc/61/47/89/958614789.db2.gz JMTJMZOJXDTRGJ-RYUDHWBXSA-N 2 0 261.385 1.123 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@]1(C)CC[NH+](CC[C@@H](C)F)C1 ZINC001368185766 958691335 /nfs/dbraw/zinc/69/13/35/958691335.db2.gz YMDXIYUVVZTLRE-UKRRQHHQSA-N 2 0 287.423 1.657 10 0 CDAERP CC[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]CCOC ZINC001495068628 972395528 /nfs/dbraw/zinc/39/55/28/972395528.db2.gz HIMLNPYQHDMZNV-HUUCEWRRSA-N 2 0 299.459 1.382 10 0 CDAERP CC[C@@H](F)C[NH2+]CC1CC(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001368823491 959159487 /nfs/dbraw/zinc/15/94/87/959159487.db2.gz SWTWHCSEBYKLEC-ROKHWSDSSA-N 2 0 299.434 1.561 10 0 CDAERP C[NH+](C)CCC(=O)NC1(C[NH2+]C/C=C/Cl)CCCC1 ZINC001495188005 972435801 /nfs/dbraw/zinc/43/58/01/972435801.db2.gz VAKDYWPIGYMXGM-WEVVVXLNSA-N 2 0 287.835 1.709 10 0 CDAERP C[NH+]1CCC(C(=O)NC2(C[NH2+]CCF)CCCC2)CC1 ZINC001495188064 972436001 /nfs/dbraw/zinc/43/60/01/972436001.db2.gz VMNOWDRVCNFMID-UHFFFAOYSA-N 2 0 285.407 1.316 10 0 CDAERP CC(C)C[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001321122819 959605185 /nfs/dbraw/zinc/60/51/85/959605185.db2.gz ZWLPFYXNELZALY-VBROQKIQSA-N 2 0 267.417 1.389 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]CC[C@@H](C)F ZINC001369314482 959622154 /nfs/dbraw/zinc/62/21/54/959622154.db2.gz QEOHVFRQPUNYDC-CHWSQXEVSA-N 2 0 275.412 1.511 10 0 CDAERP Cc1cc(C[NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C)on1 ZINC001369388484 959655370 /nfs/dbraw/zinc/65/53/70/959655370.db2.gz HVCKOLJHCBEMBP-OCCSQVGLSA-N 2 0 294.399 1.014 10 0 CDAERP CC(C)[NH2+]C1CC(N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001369584571 959777108 /nfs/dbraw/zinc/77/71/08/959777108.db2.gz VAAGAHHHWAKKCC-SHARSMKWSA-N 2 0 281.444 1.848 10 0 CDAERP CCCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001321514415 959830233 /nfs/dbraw/zinc/83/02/33/959830233.db2.gz UHFBNCUKFFXLFO-KGLIPLIRSA-N 2 0 269.433 1.754 10 0 CDAERP CC[NH2+]C[C@@H](C)NC(=O)[C@H](c1ccccc1)N(C)C ZINC001321755407 959933909 /nfs/dbraw/zinc/93/39/09/959933909.db2.gz CPGYDNOUYUPMER-OCCSQVGLSA-N 2 0 263.385 1.404 10 0 CDAERP C[C@H](F)CC[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001370282688 960041901 /nfs/dbraw/zinc/04/19/01/960041901.db2.gz PWVKXUYTZGAJSY-JSGCOSHPSA-N 2 0 285.407 1.315 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001370521401 960136748 /nfs/dbraw/zinc/13/67/48/960136748.db2.gz SKLISOIPQFGMEO-XUXIUFHCSA-N 2 0 285.407 1.313 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001322238376 960146331 /nfs/dbraw/zinc/14/63/31/960146331.db2.gz UJPVKJDFRPQTMG-CQSZACIVSA-N 2 0 281.444 1.731 10 0 CDAERP COCC[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001322722280 960305929 /nfs/dbraw/zinc/30/59/29/960305929.db2.gz BXGBDIAZMFRKFT-HNNXBMFYSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001323358279 960672691 /nfs/dbraw/zinc/67/26/91/960672691.db2.gz RZRLKEPUIMYGMR-AWEZNQCLSA-N 2 0 269.433 1.563 10 0 CDAERP CCN(CCC[NH+]1CCCC1)C(=O)[C@H](C)CC[NH+](C)C ZINC001433914608 960729899 /nfs/dbraw/zinc/72/98/99/960729899.db2.gz CAVRQVGNLFGZJE-OAHLLOKOSA-N 2 0 283.460 1.909 10 0 CDAERP CC(C)[NH2+][C@H]1C[C@@H](CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001418645782 960847409 /nfs/dbraw/zinc/84/74/09/960847409.db2.gz IGTYZSQEAKWTRJ-TUVASFSCSA-N 2 0 281.444 1.752 10 0 CDAERP CCc1nccn1[C@H](C)CC(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC001434014114 960880887 /nfs/dbraw/zinc/88/08/87/960880887.db2.gz PASHRCKXFDACBJ-MCIONIFRSA-N 2 0 290.411 1.559 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NCC[NH+](CC2CCCC2)C2CC2)C1 ZINC001418798139 961029113 /nfs/dbraw/zinc/02/91/13/961029113.db2.gz OXXGSQRNHRXIAI-OAHLLOKOSA-N 2 0 293.455 1.709 10 0 CDAERP CCN(C(=O)C[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001419167820 961455893 /nfs/dbraw/zinc/45/58/93/961455893.db2.gz WVCQUEBFJMIJDN-HZPDHXFCSA-N 2 0 295.471 1.907 10 0 CDAERP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CC=C(Cl)Cl ZINC001419220153 961516264 /nfs/dbraw/zinc/51/62/64/961516264.db2.gz LMMPYPFMIPTAOS-SNVBAGLBSA-N 2 0 296.242 1.742 10 0 CDAERP C[NH+](C)CC[C@@H]1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001419417659 961677123 /nfs/dbraw/zinc/67/71/23/961677123.db2.gz VYMQLOZIMSBTSN-PMPSAXMXSA-N 2 0 295.471 1.907 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC001419419960 961681415 /nfs/dbraw/zinc/68/14/15/961681415.db2.gz UOSPDVXLDBQULD-IBEHDNSVSA-N 2 0 293.455 1.611 10 0 CDAERP O=C(c1cc2c[nH]ccc-2n1)N1CCN(CC2CC2)CC1 ZINC001434864041 962014810 /nfs/dbraw/zinc/01/48/10/962014810.db2.gz WFVHDZSKENRCJO-UHFFFAOYSA-N 2 0 284.363 1.731 10 0 CDAERP CC(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001419742622 962060748 /nfs/dbraw/zinc/06/07/48/962060748.db2.gz HPVMDGYAJWEKKB-CABCVRRESA-N 2 0 299.459 1.047 10 0 CDAERP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]C/C=C\Cl ZINC001419933707 962248516 /nfs/dbraw/zinc/24/85/16/962248516.db2.gz KTUXNPWCKSULIW-RMKKPPKKSA-N 2 0 287.835 1.421 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC001436483977 962284221 /nfs/dbraw/zinc/28/42/21/962284221.db2.gz JOORZQCSXKZNLY-HIFRSBDPSA-N 2 0 297.443 1.086 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC[C@@H](C)[NH2+]CCC(F)(F)F ZINC001420166653 962513033 /nfs/dbraw/zinc/51/30/33/962513033.db2.gz QZZWHWMBFXWOSF-LLVKDONJSA-N 2 0 297.365 1.763 10 0 CDAERP CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCC[NH+](C)C)C1 ZINC001436945759 962516894 /nfs/dbraw/zinc/51/68/94/962516894.db2.gz QHOQZGYSATYDTH-CABCVRRESA-N 2 0 281.444 1.661 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001437024223 962566442 /nfs/dbraw/zinc/56/64/42/962566442.db2.gz SOVFAUIFDXVZRO-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP CC[C@@H](C(=O)NCC[N@H+](C)CC[C@H]1CCCCO1)[NH+](C)C ZINC001420297750 962701100 /nfs/dbraw/zinc/70/11/00/962701100.db2.gz HEKBUVMWLYUTPL-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)OCC[N@H+](C)CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001420351273 962778718 /nfs/dbraw/zinc/77/87/18/962778718.db2.gz XJCPPAYAFNFFRV-GASCZTMLSA-N 2 0 299.459 1.332 10 0 CDAERP C[N@H+](CCCF)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001437358978 962831978 /nfs/dbraw/zinc/83/19/78/962831978.db2.gz TYCYONUVMXBIGR-KBPBESRZSA-N 2 0 285.407 1.221 10 0 CDAERP C[C@H](CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH2+]CCO ZINC001437388234 962853333 /nfs/dbraw/zinc/85/33/33/962853333.db2.gz GXSMQRPYLBKDCR-CYBMUJFWSA-N 2 0 299.459 1.116 10 0 CDAERP Cc1ncoc1C[NH2+]C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001420434250 962906715 /nfs/dbraw/zinc/90/67/15/962906715.db2.gz FABXOJPHTNZBJX-NSHDSACASA-N 2 0 294.399 1.062 10 0 CDAERP Cc1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C)cc1 ZINC001420618210 963127518 /nfs/dbraw/zinc/12/75/18/963127518.db2.gz NDGQXQPIWUZIRR-OAHLLOKOSA-N 2 0 291.439 1.883 10 0 CDAERP Cc1ccc(C[N@@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C)cc1 ZINC001420618208 963127569 /nfs/dbraw/zinc/12/75/69/963127569.db2.gz NDGQXQPIWUZIRR-HNNXBMFYSA-N 2 0 291.439 1.883 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001437956117 963256044 /nfs/dbraw/zinc/25/60/44/963256044.db2.gz DZIMQDMQOKLISD-OAHLLOKOSA-N 2 0 283.460 1.811 10 0 CDAERP COCC[N@H+](C)CC1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001438004324 963282131 /nfs/dbraw/zinc/28/21/31/963282131.db2.gz BQCOHDQWNDKBKE-UHFFFAOYSA-N 2 0 299.459 1.143 10 0 CDAERP CC[C@@H](C)C[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001420979278 963400930 /nfs/dbraw/zinc/40/09/30/963400930.db2.gz SWOAYCPPCFLDHC-KGLIPLIRSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1scnc1C ZINC001438322485 963418575 /nfs/dbraw/zinc/41/85/75/963418575.db2.gz BEXGJGAGSVJGCG-GFCCVEGCSA-N 2 0 298.456 1.388 10 0 CDAERP CCC[N@H+](CCOC)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001421023567 963419664 /nfs/dbraw/zinc/41/96/64/963419664.db2.gz OFAJJZNTCYOOKN-UHFFFAOYSA-N 2 0 299.459 1.288 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001421033577 963422964 /nfs/dbraw/zinc/42/29/64/963422964.db2.gz WKWMHKGKRUGCSH-KRWDZBQOSA-N 2 0 295.471 1.909 10 0 CDAERP CCC[N@@H+]1CCC[C@@](C)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001421294527 963539966 /nfs/dbraw/zinc/53/99/66/963539966.db2.gz WHVMKWAYUURPHI-WBVHZDCISA-N 2 0 295.471 1.957 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@H]1C[C@H]([NH2+]CCC2CC2)C1 ZINC001440363449 964000819 /nfs/dbraw/zinc/00/08/19/964000819.db2.gz VVEOTULQPWGHFL-SHTZXODSSA-N 2 0 279.428 1.367 10 0 CDAERP CC[C@@H](C(=O)N1CCC(C)([NH2+]C[C@@H](C)OC)CC1)[NH+](C)C ZINC001440604585 964118413 /nfs/dbraw/zinc/11/84/13/964118413.db2.gz KOOAXVCPFYXAAA-KGLIPLIRSA-N 2 0 299.459 1.332 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cccnc1 ZINC001440826042 964201761 /nfs/dbraw/zinc/20/17/61/964201761.db2.gz BOSONOFSYVILPN-KBPBESRZSA-N 2 0 292.427 1.406 10 0 CDAERP C[C@H](F)CC[N@H+](C)[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001440999826 964320090 /nfs/dbraw/zinc/32/00/90/964320090.db2.gz KCAIJFOITOLAPT-STQMWFEESA-N 2 0 285.407 1.267 10 0 CDAERP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH+](C)CC1CCC1 ZINC001441005700 964322026 /nfs/dbraw/zinc/32/20/26/964322026.db2.gz REIIMHBPDANPGF-UKRRQHHQSA-N 2 0 281.444 1.565 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCC2CC2)CC1(C)C ZINC001441264021 964441150 /nfs/dbraw/zinc/44/11/50/964441150.db2.gz RSASATSZKUFDTH-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP Cc1cc(CN[C@H]2C[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)no1 ZINC001441445361 964514941 /nfs/dbraw/zinc/51/49/41/964514941.db2.gz VAWQWDMHKXOXBP-JOCQHMNTSA-N 2 0 294.399 1.060 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001441504814 964559263 /nfs/dbraw/zinc/55/92/63/964559263.db2.gz MYKPISRWSBJAHU-UPJWGTAASA-N 2 0 285.407 1.313 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C1)[NH+](C)C ZINC001441526230 964574165 /nfs/dbraw/zinc/57/41/65/964574165.db2.gz SJODNUOTLPDUMM-QLFBSQMISA-N 2 0 295.471 2.000 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]C(C)C)C1 ZINC001441566849 964594157 /nfs/dbraw/zinc/59/41/57/964594157.db2.gz KYBAUSPFEMCOBE-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H]1CCC[NH+](CCF)C1 ZINC001441688431 964654362 /nfs/dbraw/zinc/65/43/62/964654362.db2.gz XMEKYVOZSDGJJU-ZIAGYGMSSA-N 2 0 287.423 1.513 10 0 CDAERP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccsc1 ZINC001442014811 964832514 /nfs/dbraw/zinc/83/25/14/964832514.db2.gz WAYHVJYUHNDKHG-STQMWFEESA-N 2 0 295.452 1.684 10 0 CDAERP C[C@H](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]C/C=C/Cl ZINC001442263320 964965268 /nfs/dbraw/zinc/96/52/68/964965268.db2.gz YTHPRNWYFZSYEZ-SZOGZUGYSA-N 2 0 299.846 1.565 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1CCN(Cc2cncs2)C1 ZINC001443776364 965603961 /nfs/dbraw/zinc/60/39/61/965603961.db2.gz ZGZAIEIGVPBMLD-GFCCVEGCSA-N 2 0 296.440 1.175 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC2CCC2)CC[N@@H+]1C ZINC001444596050 965893772 /nfs/dbraw/zinc/89/37/72/965893772.db2.gz NVZSELZRNIABQJ-VNQPRFMTSA-N 2 0 295.471 1.953 10 0 CDAERP Cc1ccccc1C[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001445502453 966211788 /nfs/dbraw/zinc/21/17/88/966211788.db2.gz LYKXJIZHNYSLFY-OAHLLOKOSA-N 2 0 291.439 1.930 10 0 CDAERP C[C@@H](C[N@H+](C)CCC1CC1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001445733933 966311069 /nfs/dbraw/zinc/31/10/69/966311069.db2.gz AVVZNWCTDKEHFP-XJKSGUPXSA-N 2 0 293.455 1.565 10 0 CDAERP CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001446565326 966584462 /nfs/dbraw/zinc/58/44/62/966584462.db2.gz RTHZUJLFTKVBQW-HZPDHXFCSA-N 2 0 299.434 1.799 10 0 CDAERP [NH3+][C@@H]1CCc2ccccc2N(C[C@H]2CCC[NH2+]C2)C1 ZINC001350398141 966655297 /nfs/dbraw/zinc/65/52/97/966655297.db2.gz LMRVAXCTIBHFEB-DZGCQCFKSA-N 2 0 259.397 1.766 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]CCC2CC2)C1 ZINC001446949878 966667808 /nfs/dbraw/zinc/66/78/08/966667808.db2.gz UCOUHOOVLKDLIL-HOCLYGCPSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)C[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CCC1 ZINC001447265188 966737061 /nfs/dbraw/zinc/73/70/61/966737061.db2.gz OPUOVOCBWGMMJL-CQSZACIVSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)CC[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001447543007 966814095 /nfs/dbraw/zinc/81/40/95/966814095.db2.gz SJKVYUGNAGOAFK-CABCVRRESA-N 2 0 293.455 1.565 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)CCCF ZINC001448032918 966970160 /nfs/dbraw/zinc/97/01/60/966970160.db2.gz JMZPBYYPPXSJCS-UONOGXRCSA-N 2 0 287.423 1.655 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001448765886 967245747 /nfs/dbraw/zinc/24/57/47/967245747.db2.gz DOBKFJRMLCHLCZ-CHWSQXEVSA-N 2 0 285.407 1.267 10 0 CDAERP CC[C@H](C)C[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001448786862 967255523 /nfs/dbraw/zinc/25/55/23/967255523.db2.gz ZFMLEHQVOCGCSX-KBPBESRZSA-N 2 0 271.449 1.809 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000847332074 967308086 /nfs/dbraw/zinc/30/80/86/967308086.db2.gz NVFVSJKDQUHZPJ-TUVASFSCSA-N 2 0 296.459 1.499 10 0 CDAERP C[C@H](CCNC(=O)c1cccc(CC[NH+](C)C)c1)[NH+](C)C ZINC001453172690 968257730 /nfs/dbraw/zinc/25/77/30/968257730.db2.gz WKRHGBVWQHYDAC-CQSZACIVSA-N 2 0 291.439 1.861 10 0 CDAERP COC[C@H]([NH2+]C[C@H]([NH3+])CC(F)F)[C@@H]1CCCOC1 ZINC001353945256 968354371 /nfs/dbraw/zinc/35/43/71/968354371.db2.gz ZSMSYUNYVHXKNY-MXWKQRLJSA-N 2 0 266.332 1.000 10 0 CDAERP CCN(C(=O)[C@@H](C)CC[NH+](C)C)[C@@H]1CC[N@H+](CC)C1 ZINC001300618986 968724470 /nfs/dbraw/zinc/72/44/70/968724470.db2.gz FNFYNISRUHTYKJ-UONOGXRCSA-N 2 0 269.433 1.517 10 0 CDAERP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cnc(Cl)n1C ZINC000848540292 969159374 /nfs/dbraw/zinc/15/93/74/969159374.db2.gz NMWNMXMJUXLSJP-LBPRGKRZSA-N 2 0 288.823 1.520 10 0 CDAERP C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCC[NH+]3CCCC3)C[N@@H+]2C1 ZINC001463822791 969753033 /nfs/dbraw/zinc/75/30/33/969753033.db2.gz DURHFFXLGWZPEK-RBSFLKMASA-N 2 0 279.428 1.319 10 0 CDAERP CC(C)(O)CC[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001414033949 969877745 /nfs/dbraw/zinc/87/77/45/969877745.db2.gz JFQPPSVQGMQOBB-UHFFFAOYSA-N 2 0 270.417 1.380 10 0 CDAERP CN1CCC[C@H]([N@@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)C1=O ZINC001414055339 969897276 /nfs/dbraw/zinc/89/72/76/969897276.db2.gz AZHAVDUNHISACA-BHYGNILZSA-N 2 0 291.439 1.415 10 0 CDAERP C[C@@H]1CCC[N@@H+](C(C)(C)CNC2=[NH+]CCCCN2)C1 ZINC000849216039 969916168 /nfs/dbraw/zinc/91/61/68/969916168.db2.gz RCFNIJGGURITIC-CYBMUJFWSA-N 2 0 266.433 1.826 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C[NH2+]C/C=C/Cl ZINC001495690443 972598077 /nfs/dbraw/zinc/59/80/77/972598077.db2.gz DDITWCSIKRKJMK-JOVKLMRISA-N 2 0 287.835 1.565 10 0 CDAERP CC(C)[C@H](C(=O)N(C)[C@H](C)C[NH2+]C/C=C/Cl)[NH+](C)C ZINC001496152428 972819305 /nfs/dbraw/zinc/81/93/05/972819305.db2.gz VYMUDOHIIIOLQO-WUOSCTTQSA-N 2 0 289.851 1.762 10 0 CDAERP CCC[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)CC1CCC1 ZINC001372740680 973104549 /nfs/dbraw/zinc/10/45/49/973104549.db2.gz JYVCWEHCQYMHKP-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP CCC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001497466112 973358087 /nfs/dbraw/zinc/35/80/87/973358087.db2.gz QEDRPAJKVSVROU-CABCVRRESA-N 2 0 281.444 1.851 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001417758150 973367001 /nfs/dbraw/zinc/36/70/01/973367001.db2.gz QHTFFKYQQXDMEK-FQUUOJAGSA-N 2 0 285.407 1.313 10 0 CDAERP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001417796621 973390826 /nfs/dbraw/zinc/39/08/26/973390826.db2.gz XUQOWOUQLWGMMS-ILXRZTDVSA-N 2 0 283.460 1.952 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001417798615 973393188 /nfs/dbraw/zinc/39/31/88/973393188.db2.gz CISXNXKTVZPKMP-AAVRWANBSA-N 2 0 285.407 1.171 10 0 CDAERP CC(C)(C(=O)NC/C=C/C[NH2+]CCF)[NH+]1CCCC1 ZINC001497655179 973450746 /nfs/dbraw/zinc/45/07/46/973450746.db2.gz CWWJALMKYJSSSM-ONEGZZNKSA-N 2 0 271.380 1.092 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]C/C=C/Cl ZINC001497993913 973602617 /nfs/dbraw/zinc/60/26/17/973602617.db2.gz UUWIKKPAYANBPM-DZTBXEGKSA-N 2 0 287.835 1.708 10 0 CDAERP C[C@@H](C[NH2+]CCCCCF)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001498042931 973645152 /nfs/dbraw/zinc/64/51/52/973645152.db2.gz DBPVNEYRQYDMRD-ZFWWWQNUSA-N 2 0 299.434 1.562 10 0 CDAERP CCc1noc(C)c1C[NH2+][C@H](C)CNC(=O)CC[NH+](C)C ZINC001418264618 973707373 /nfs/dbraw/zinc/70/73/73/973707373.db2.gz CUYGDHJRPDKKDK-LLVKDONJSA-N 2 0 296.415 1.091 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CC=C(Cl)Cl)[NH+](C)C ZINC001498160370 973720340 /nfs/dbraw/zinc/72/03/40/973720340.db2.gz LUBOFMORGMGYFY-UWVGGRQHSA-N 2 0 296.242 1.740 10 0 CDAERP CCC[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001498556505 973982155 /nfs/dbraw/zinc/98/21/55/973982155.db2.gz QDIADXJNQOKARQ-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH2+]Cc1cncs1 ZINC001498657157 974012948 /nfs/dbraw/zinc/01/29/48/974012948.db2.gz GSNGOCHWRBZZSG-UHFFFAOYSA-N 2 0 298.456 1.421 10 0 CDAERP CN(C(=O)C1(C[NH+](C)C)CC1)C1C[NH+](CC2CCCC2)C1 ZINC001499737078 974294975 /nfs/dbraw/zinc/29/49/75/974294975.db2.gz GFAOWNNLTGXJHK-UHFFFAOYSA-N 2 0 293.455 1.661 10 0 CDAERP CCCC[NH+]1CC(N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001499767651 974301185 /nfs/dbraw/zinc/30/11/85/974301185.db2.gz MFDJUBWDZUSUFC-UHFFFAOYSA-N 2 0 255.406 1.271 10 0 CDAERP CC[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001375323394 974335946 /nfs/dbraw/zinc/33/59/46/974335946.db2.gz MYFNHCNGEHVWBL-AWEZNQCLSA-N 2 0 281.444 1.850 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2)C1 ZINC001375543563 974418775 /nfs/dbraw/zinc/41/87/75/974418775.db2.gz NJGIYBZIEOSBQP-WKILWMFISA-N 2 0 289.423 1.623 10 0 CDAERP CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001500397351 974432422 /nfs/dbraw/zinc/43/24/22/974432422.db2.gz UPVLDIPRPWHWGN-HOCLYGCPSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001375634669 974441677 /nfs/dbraw/zinc/44/16/77/974441677.db2.gz VXGPYSQVQXMTJP-KFWWJZLASA-N 2 0 299.434 1.467 10 0 CDAERP Cc1cc(C[NH2+]C[C@@H]2CCCN2C(=O)CC[NH+](C)C)on1 ZINC001375759368 974470745 /nfs/dbraw/zinc/47/07/45/974470745.db2.gz AKGFIGJKPNIEJY-ZDUSSCGKSA-N 2 0 294.399 1.015 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@@]1(C)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001375893664 974503416 /nfs/dbraw/zinc/50/34/16/974503416.db2.gz FYIJNVGVMFEODO-DOTOQJQBSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@](C)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001375954595 974523477 /nfs/dbraw/zinc/52/34/77/974523477.db2.gz CHFILRICAWJGCD-RDJZCZTQSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](C)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001502026566 974677789 /nfs/dbraw/zinc/67/77/89/974677789.db2.gz SZOCEEGQOFNZQC-KBPBESRZSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@H](O)CCC[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001376574749 974689896 /nfs/dbraw/zinc/68/98/96/974689896.db2.gz HYHZCZGCNVEUPQ-GJZGRUSLSA-N 2 0 299.459 1.070 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@@H+]1CCCF ZINC001376576762 974690673 /nfs/dbraw/zinc/69/06/73/974690673.db2.gz JWYPKSJRZKGUFS-ZDUSSCGKSA-N 2 0 273.396 1.268 10 0 CDAERP CCCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001502753535 974776360 /nfs/dbraw/zinc/77/63/60/974776360.db2.gz BAUMUHAWHMRLQZ-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP CCC[NH2+]C1(C)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001502805404 974787044 /nfs/dbraw/zinc/78/70/44/974787044.db2.gz FWUQKRWTRIXULF-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC1CC2(CCC2)C1 ZINC001376883939 974803423 /nfs/dbraw/zinc/80/34/23/974803423.db2.gz OYFOUWFDBFGPJA-HIFRSBDPSA-N 2 0 293.455 1.613 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CC1CC1 ZINC001377028310 974859523 /nfs/dbraw/zinc/85/95/23/974859523.db2.gz RSHMFTITMFEHKG-UKRRQHHQSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H](F)CC[NH2+]C1(C)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001377304214 974969337 /nfs/dbraw/zinc/96/93/37/974969337.db2.gz YROQRDCJGOTTOB-ZDUSSCGKSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)CCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001506057257 975101311 /nfs/dbraw/zinc/10/13/11/975101311.db2.gz XZKINUIZISTIOY-HUUCEWRRSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)[NH2+]Cc1cccnc1 ZINC001377849510 975156426 /nfs/dbraw/zinc/15/64/26/975156426.db2.gz NGBDGNXVJWHTBS-CHWSQXEVSA-N 2 0 278.400 1.016 10 0 CDAERP CC(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001377863896 975156472 /nfs/dbraw/zinc/15/64/72/975156472.db2.gz SYDYVBRNKPPPQQ-GJZGRUSLSA-N 2 0 283.460 1.857 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[N@H+](C)CC1CCC1 ZINC001378043439 975217270 /nfs/dbraw/zinc/21/72/70/975217270.db2.gz OYHCMGMNJGUFRA-BBRMVZONSA-N 2 0 293.455 1.565 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001378106399 975243689 /nfs/dbraw/zinc/24/36/89/975243689.db2.gz DMVAWDGIQHQJAO-BZUAXINKSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH+](C)CC1CCC1 ZINC001378118488 975249637 /nfs/dbraw/zinc/24/96/37/975249637.db2.gz KJSSVNMEBUTNNA-HIFRSBDPSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH+](C)CC1CCCC1 ZINC001378183576 975275525 /nfs/dbraw/zinc/27/55/25/975275525.db2.gz ISNFDOKLDDWBBZ-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[NH2+]C[C@@](C)(NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001378433394 975349981 /nfs/dbraw/zinc/34/99/81/975349981.db2.gz MUJCFLCRCLIXJX-XJKSGUPXSA-N 2 0 281.444 1.469 10 0 CDAERP C[C@@H]1[C@H]([NH2+]Cc2ccns2)CCN1C(=O)CC[NH+](C)C ZINC001507291852 975400865 /nfs/dbraw/zinc/40/08/65/975400865.db2.gz YDBWLNUQVQBIEO-DGCLKSJQSA-N 2 0 296.440 1.174 10 0 CDAERP Cc1cnc([C@H](C)[NH2+]C[C@H](C)CNC(=O)CC[NH+](C)C)o1 ZINC001378602440 975412052 /nfs/dbraw/zinc/41/20/52/975412052.db2.gz PJTOIBIPARDNQT-AAEUAGOBSA-N 2 0 296.415 1.338 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001507427658 975466539 /nfs/dbraw/zinc/46/65/39/975466539.db2.gz KWOMSSPAXWYCDY-STQMWFEESA-N 2 0 255.406 1.221 10 0 CDAERP CCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC1(C)C ZINC001507454168 975474141 /nfs/dbraw/zinc/47/41/41/975474141.db2.gz SVQQCCMNHAOZEU-ZDUSSCGKSA-N 2 0 269.433 1.563 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C ZINC001507452365 975475304 /nfs/dbraw/zinc/47/53/04/975475304.db2.gz MCLQGMNCRVTZDT-KBPBESRZSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC1CC1)[NH+](C)C ZINC001388653736 975538074 /nfs/dbraw/zinc/53/80/74/975538074.db2.gz RJSOLEOQGLOLOA-JKSUJKDBSA-N 2 0 295.471 1.905 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]CC1CCCC1 ZINC001401266355 975556554 /nfs/dbraw/zinc/55/65/54/975556554.db2.gz LKFMRWKTXRMAHD-CQSZACIVSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001508016383 975575220 /nfs/dbraw/zinc/57/52/20/975575220.db2.gz SILJZZRRSJVJQR-OLZOCXBDSA-N 2 0 289.439 1.807 10 0 CDAERP COC[C@H](C)[N@H+](C)CCN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001379065529 975632972 /nfs/dbraw/zinc/63/29/72/975632972.db2.gz OLEPEFZTGWHHSD-LSDHHAIUSA-N 2 0 299.459 1.286 10 0 CDAERP CC[C@@H](C(=O)NCC1=CC[N@@H+]([C@H](C)COC)CC1)[NH+](C)C ZINC001508220293 975642158 /nfs/dbraw/zinc/64/21/58/975642158.db2.gz SOHGJWGRBNQWOE-HIFRSBDPSA-N 2 0 297.443 1.110 10 0 CDAERP CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]C[C@H](C)OC ZINC001405273556 975699060 /nfs/dbraw/zinc/69/90/60/975699060.db2.gz NGNXYMZAPYTOLC-UONOGXRCSA-N 2 0 299.459 1.380 10 0 CDAERP C[C@H](C[N@H+](C)CCCF)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001401795662 975921294 /nfs/dbraw/zinc/92/12/94/975921294.db2.gz GVGQGCZEUVOTGN-OLZOCXBDSA-N 2 0 273.396 1.124 10 0 CDAERP C[C@H](C[N@H+](C)CC1CCCC1)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001401807412 975929637 /nfs/dbraw/zinc/92/96/37/975929637.db2.gz UMHJBCBREGZTGD-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C1CC1 ZINC001389674951 975949975 /nfs/dbraw/zinc/94/99/75/975949975.db2.gz LPDFJJPWJIGJLK-CABCVRRESA-N 2 0 281.444 1.754 10 0 CDAERP COC[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001401944853 976032571 /nfs/dbraw/zinc/03/25/71/976032571.db2.gz NMMGDQATPVXQOL-KGLIPLIRSA-N 2 0 297.443 1.133 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001389984036 976073134 /nfs/dbraw/zinc/07/31/34/976073134.db2.gz ZJPVZBOJMMKJTK-MELADBBJSA-N 2 0 297.418 1.600 10 0 CDAERP CC(C)OCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001402134562 976139507 /nfs/dbraw/zinc/13/95/07/976139507.db2.gz MSKCBIWRESNXGL-GOEBONIOSA-N 2 0 297.443 1.086 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001390160774 976145601 /nfs/dbraw/zinc/14/56/01/976145601.db2.gz RYHNKXRBVZWJFQ-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC1CCC1 ZINC001398929752 976250341 /nfs/dbraw/zinc/25/03/41/976250341.db2.gz UPARUIMWADCJPM-HIFRSBDPSA-N 2 0 281.444 1.754 10 0 CDAERP C[NH+](C)CCCC(=O)NCC1([NH2+]CC2CCCC2)CC1 ZINC001380139475 976258138 /nfs/dbraw/zinc/25/81/38/976258138.db2.gz XYCCIGDBKJZIAC-UHFFFAOYSA-N 2 0 281.444 1.757 10 0 CDAERP CC(C)C[C@@H](C)C[NH2+][C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001390516073 976343773 /nfs/dbraw/zinc/34/37/73/976343773.db2.gz XJWRQZHFVRWRBN-HUUCEWRRSA-N 2 0 295.471 1.859 10 0 CDAERP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CCC(C)(C)C ZINC001390516384 976344659 /nfs/dbraw/zinc/34/46/59/976344659.db2.gz XXHCVABANGBYCG-UONOGXRCSA-N 2 0 283.460 1.859 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001402568009 976366369 /nfs/dbraw/zinc/36/63/69/976366369.db2.gz ARTGCNLMGLELLO-BYNSBNAKSA-N 2 0 299.434 1.844 10 0 CDAERP CC(C)(C(=O)N[C@@H](C[NH2+]CC1CC1)C1CC1)[NH+]1CCCC1 ZINC001406781111 976405140 /nfs/dbraw/zinc/40/51/40/976405140.db2.gz XOFWAJSYLFLLBM-HNNXBMFYSA-N 2 0 293.455 1.755 10 0 CDAERP CC[C@H](C[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)C)C1)OC ZINC001402660858 976433839 /nfs/dbraw/zinc/43/38/39/976433839.db2.gz INGQDJBFHZDHFZ-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]CCC(C)(C)C ZINC001402802023 976485428 /nfs/dbraw/zinc/48/54/28/976485428.db2.gz ZYPUYHBENAJDAR-KGLIPLIRSA-N 2 0 283.460 1.811 10 0 CDAERP O=C(NCC1([NH2+]CCF)CC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001406982033 976504146 /nfs/dbraw/zinc/50/41/46/976504146.db2.gz ZZRYXRXRHUORCQ-STQMWFEESA-N 2 0 283.391 1.211 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+](C)C(C)C ZINC001407112684 976561371 /nfs/dbraw/zinc/56/13/71/976561371.db2.gz UFTNPDUJIBGSHV-KBPBESRZSA-N 2 0 287.423 1.655 10 0 CDAERP Cc1ncc(C[N@@H+](C)CCCN(C)C(=O)CC[NH+](C)C)o1 ZINC001380973452 976632905 /nfs/dbraw/zinc/63/29/05/976632905.db2.gz XNWPPPGYWFULER-UHFFFAOYSA-N 2 0 296.415 1.215 10 0 CDAERP C[C@@H]([NH2+]CC1CCC1)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001403066895 976691307 /nfs/dbraw/zinc/69/13/07/976691307.db2.gz WNXHJCWPAYBGOV-OLZOCXBDSA-N 2 0 281.444 1.611 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCC1CC1)[NH+](C)C ZINC001399847266 976699066 /nfs/dbraw/zinc/69/90/66/976699066.db2.gz GEOSKLKVDNIDLU-LSDHHAIUSA-N 2 0 281.444 1.707 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1C/C=C/Cl ZINC001399875605 976712691 /nfs/dbraw/zinc/71/26/91/976712691.db2.gz WNUFAEPKEZCMBV-NTYUQYKDSA-N 2 0 273.808 1.271 10 0 CDAERP C[NH+](C)CCCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCF ZINC001407661361 976727425 /nfs/dbraw/zinc/72/74/25/976727425.db2.gz LWVKAEAOLCXZNE-KGLIPLIRSA-N 2 0 285.407 1.363 10 0 CDAERP CC[N@H+](C)Cc1ccccc1CNC(=O)CC[NH+](C)C ZINC001407685760 976730120 /nfs/dbraw/zinc/73/01/20/976730120.db2.gz GZZZEGDJUOICPK-UHFFFAOYSA-N 2 0 277.412 1.706 10 0 CDAERP CC(C)OCC[N@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001381301086 976749865 /nfs/dbraw/zinc/74/98/65/976749865.db2.gz PLEJCLKVGRMXIP-OAHLLOKOSA-N 2 0 299.459 1.286 10 0 CDAERP CC1CC(C[N@@H+]2CC[C@H](CNC(=O)C[NH+]3CCCC3)C2)C1 ZINC001399945994 976767595 /nfs/dbraw/zinc/76/75/95/976767595.db2.gz OIGJUNQGRAEQSC-HWOWSKLDSA-N 2 0 293.455 1.566 10 0 CDAERP Cc1nc(C)c(C[NH2+][C@H](C)CNC(=O)C[N@H+](C)C(C)C)o1 ZINC001403156822 976769721 /nfs/dbraw/zinc/76/97/21/976769721.db2.gz FHAFZCSVYVRRDF-LLVKDONJSA-N 2 0 296.415 1.226 10 0 CDAERP CC(C)CC[NH2+][C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001408096325 976912676 /nfs/dbraw/zinc/91/26/76/976912676.db2.gz CYXPWYBISOZIIP-CABCVRRESA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCF)CC1(C)C ZINC001408141947 976937283 /nfs/dbraw/zinc/93/72/83/976937283.db2.gz KZZLLZJNVHEALQ-ZDUSSCGKSA-N 2 0 287.423 1.513 10 0 CDAERP C[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cscn1 ZINC001408172827 976950795 /nfs/dbraw/zinc/95/07/95/976950795.db2.gz CXXNAENWHQYENH-AAEUAGOBSA-N 2 0 296.440 1.222 10 0 CDAERP CC[C@H](F)C[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001381615681 976952096 /nfs/dbraw/zinc/95/20/96/976952096.db2.gz BYXKAOFSCWRRKR-STQMWFEESA-N 2 0 273.396 1.267 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H]1C[N@H+](C)C/C=C/Cl ZINC001408342776 977017879 /nfs/dbraw/zinc/01/78/79/977017879.db2.gz NVCFTRLDMUDVBI-LJLILKBBSA-N 2 0 287.835 1.613 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[NH+]([C@H](C)COC)CC1(C)C ZINC001381869052 977061055 /nfs/dbraw/zinc/06/10/55/977061055.db2.gz HZZLLOUNGWNTSD-KGLIPLIRSA-N 2 0 299.459 1.190 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CCC(C)(C)C ZINC001403562035 977065177 /nfs/dbraw/zinc/06/51/77/977065177.db2.gz HQRNSSPPDBWRIR-OAHLLOKOSA-N 2 0 295.471 1.812 10 0 CDAERP CCC[N@@H+]1C[C@@]2(C)CN(C(=O)CC[NH+](C)C)C[C@@]2(C)C1 ZINC001381949433 977094571 /nfs/dbraw/zinc/09/45/71/977094571.db2.gz RDXMJJWKNAGSBM-IYBDPMFKSA-N 2 0 281.444 1.519 10 0 CDAERP CCC(CC)C[NH2+][C@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001403630542 977114417 /nfs/dbraw/zinc/11/44/17/977114417.db2.gz MBBXGPHTUYPXFJ-CQSZACIVSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCCC1CC[NH+](CC2CC2)CC1 ZINC001391851300 977115886 /nfs/dbraw/zinc/11/58/86/977115886.db2.gz VGWOJRVBIXEZJT-UHFFFAOYSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC[N@@H+](C)CCC2CC2)C1 ZINC001403736442 977167813 /nfs/dbraw/zinc/16/78/13/977167813.db2.gz QBVVOUQCDUOHDY-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]C/C=C/Cl ZINC001400803431 977198293 /nfs/dbraw/zinc/19/82/93/977198293.db2.gz LAMRMFOOHMRLSO-HNCOSLNKSA-N 2 0 299.846 1.565 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@]12CCC[C@H]1[N@H+](CC1CC1)CC2 ZINC001403830496 977220920 /nfs/dbraw/zinc/22/09/20/977220920.db2.gz VHJWOXLESPZENJ-GDBMZVCRSA-N 2 0 279.428 1.461 10 0 CDAERP CC[C@@H](C[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C)OC ZINC001403836897 977225372 /nfs/dbraw/zinc/22/53/72/977225372.db2.gz WKUQLLPOTJTDFH-KBPBESRZSA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001392121318 977226342 /nfs/dbraw/zinc/22/63/42/977226342.db2.gz KBDHPPPCWIVNDG-QWHCGFSZSA-N 2 0 285.407 1.267 10 0 CDAERP CC(C)CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC001382281062 977236386 /nfs/dbraw/zinc/23/63/86/977236386.db2.gz DRXKJWYEXCFZKV-ZBFHGGJFSA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@H](C(=O)NC[C@H](CC)[NH2+]Cc1ccccn1)[NH+](C)C ZINC001400912026 977241767 /nfs/dbraw/zinc/24/17/67/977241767.db2.gz RICOZHAJEFYPKV-DZGCQCFKSA-N 2 0 292.427 1.406 10 0 CDAERP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC1(C)C ZINC001382391053 977271232 /nfs/dbraw/zinc/27/12/32/977271232.db2.gz VILQNSXFEPOALW-ZIAGYGMSSA-N 2 0 299.459 1.188 10 0 CDAERP CN(CC[N@H+](C)CC1CCCC1)C(=O)CCc1c[nH]cn1 ZINC001392280147 977383785 /nfs/dbraw/zinc/38/37/85/977383785.db2.gz UROMPIKQGQJFRN-UHFFFAOYSA-N 2 0 292.427 1.923 10 0 CDAERP CC[C@@H](F)C[N@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001392692343 977551798 /nfs/dbraw/zinc/55/17/98/977551798.db2.gz ZPUZUVRQZXBXJQ-TZMCWYRMSA-N 2 0 287.423 1.513 10 0 CDAERP C[C@H](F)CC[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CCC1 ZINC001393565627 977837097 /nfs/dbraw/zinc/83/70/97/977837097.db2.gz HIFOJQXQDIUSOD-UONOGXRCSA-N 2 0 299.434 1.705 10 0 CDAERP CC1([NH2+]C/C=C/Cl)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001393749785 977907552 /nfs/dbraw/zinc/90/75/52/977907552.db2.gz FRXNSCVQLLLKAI-QPJJXVBHSA-N 2 0 299.846 1.805 10 0 CDAERP CO[C@@H](C)C[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001393862220 977935866 /nfs/dbraw/zinc/93/58/66/977935866.db2.gz RRWZMRMQWNQKEG-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)CCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001394048854 978029502 /nfs/dbraw/zinc/02/95/02/978029502.db2.gz ZHVXTKFXDZSBIJ-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001394349159 978138610 /nfs/dbraw/zinc/13/86/10/978138610.db2.gz MEDIOLMJOKJHFX-ZNMIVQPWSA-N 2 0 281.444 1.565 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C[NH2+]CC2CCC2)C1 ZINC001394702825 978235983 /nfs/dbraw/zinc/23/59/83/978235983.db2.gz BOJYTZPFOPCODO-CABCVRRESA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C)C1CC[NH+](CC2CC2)CC1)[NH+](C)C ZINC001394848755 978282814 /nfs/dbraw/zinc/28/28/14/978282814.db2.gz YPAYCFMCVJKVMH-BBRMVZONSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)[NH2+][C@H](C)CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001676365436 1174215947 /nfs/dbraw/zinc/21/59/47/1174215947.db2.gz XMLRMSUKAMYKTR-ZIAGYGMSSA-N 2 0 269.433 1.706 10 0 CDAERP C[C@@H]1[C@H]([NH2+]CCCCCF)CCN1C(=O)CC[NH+](C)C ZINC001676668790 1174253966 /nfs/dbraw/zinc/25/39/66/1174253966.db2.gz PIIZBCHUQCJKFF-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP CC[C@@H](C)C[NH2+]CC[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001570000020 1170056795 /nfs/dbraw/zinc/05/67/95/1170056795.db2.gz HAKAPWUPZAMNGZ-CABCVRRESA-N 2 0 283.460 1.812 10 0 CDAERP CC(C)=CC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001570364464 1170143439 /nfs/dbraw/zinc/14/34/39/1170143439.db2.gz UFOZXLSERROSLD-GJZGRUSLSA-N 2 0 281.444 1.729 10 0 CDAERP CC[NH2+]CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001571307999 1170362235 /nfs/dbraw/zinc/36/22/35/1170362235.db2.gz JDXRVJWJLVBAAD-STQMWFEESA-N 2 0 255.406 1.223 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N[C@@H](C[NH2+]CCF)C(C)(C)C)C1 ZINC001571633122 1170502995 /nfs/dbraw/zinc/50/29/95/1170502995.db2.gz IQONYWKSDNNDHQ-STQMWFEESA-N 2 0 287.423 1.418 10 0 CDAERP C[C@H]1C[C@@]2(C[NH+]=C(N)N2Cc2ccccc2)CC[N@@H+]1C ZINC000157229674 342481279 /nfs/dbraw/zinc/48/12/79/342481279.db2.gz VCVWUGPVFUTDQG-XJKSGUPXSA-N 2 0 272.396 1.670 10 0 CDAERP CC[C@H](Cn1cncn1)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624123215 342524814 /nfs/dbraw/zinc/52/48/14/342524814.db2.gz IDJZENHFAXREEX-ZIAGYGMSSA-N 2 0 265.405 1.378 10 0 CDAERP C[NH+](C)C1(CNC(=O)N[C@H]2CCC[N@H+](C)C2)CCCCC1 ZINC000618548241 349479009 /nfs/dbraw/zinc/47/90/09/349479009.db2.gz WNRPZUMZYXLNHR-AWEZNQCLSA-N 2 0 296.459 1.644 10 0 CDAERP CC(C)(C)[NH2+]CCN1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000650725040 398163904 /nfs/dbraw/zinc/16/39/04/398163904.db2.gz RWBKWXJDXAZUIJ-RBSFLKMASA-N 2 0 283.460 1.735 10 0 CDAERP C[C@@H]([NH2+]CCc1ccc2c(c1)OC(F)(F)O2)C1C[NH2+]C1 ZINC000650760928 398182717 /nfs/dbraw/zinc/18/27/17/398182717.db2.gz OXIIJWYAMPAJDM-SECBINFHSA-N 2 0 284.306 1.748 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000575122281 361757860 /nfs/dbraw/zinc/75/78/60/361757860.db2.gz GJYSNQPCTDXDJC-NWDGAFQWSA-N 2 0 289.370 1.364 10 0 CDAERP CN(CC[C@@H]1CCCC[N@@H+]1C)C[C@H](O)CC1(O)CCC1 ZINC000625188978 342039336 /nfs/dbraw/zinc/03/93/36/342039336.db2.gz IHEUKONUICTDGP-LSDHHAIUSA-N 2 0 284.444 1.459 10 0 CDAERP CC(C)[N@H+](C)CC1CC[NH+](CC2(O)CCOCC2)CC1 ZINC000533332096 282111230 /nfs/dbraw/zinc/11/12/30/282111230.db2.gz MICXTXSLCJJROX-UHFFFAOYSA-N 2 0 284.444 1.580 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)NC[C@H]1CCC[NH+](C)C1 ZINC000650859539 398245949 /nfs/dbraw/zinc/24/59/49/398245949.db2.gz IUDDFNNJZMIAQU-OAHLLOKOSA-N 2 0 298.475 1.605 10 0 CDAERP CN(CC1C[NH+](C)C1)C(=O)c1sccc1C[NH+](C)C ZINC000618192638 342138919 /nfs/dbraw/zinc/13/89/19/342138919.db2.gz VLVDARZSAXEOAO-UHFFFAOYSA-N 2 0 281.425 1.443 10 0 CDAERP COC(=O)c1cc(C[NH2+]CCC2(C[NH3+])CC2)oc1C ZINC000593315612 342787865 /nfs/dbraw/zinc/78/78/65/342787865.db2.gz JCFDTMMLFOQGNW-UHFFFAOYSA-N 2 0 266.341 1.593 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000565151833 361915081 /nfs/dbraw/zinc/91/50/81/361915081.db2.gz QNUURBPDVOEADU-HDJSIYSDSA-N 2 0 289.423 1.683 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)CCc1ccsc1 ZINC000629405842 361944045 /nfs/dbraw/zinc/94/40/45/361944045.db2.gz VAXWKBJRCFXLMU-GFCCVEGCSA-N 2 0 256.415 1.895 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000423075185 293096531 /nfs/dbraw/zinc/09/65/31/293096531.db2.gz OAMWSCBEYODHIP-DZGCQCFKSA-N 2 0 269.433 1.347 10 0 CDAERP CC[C@@H]([NH3+])C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000130514920 342214730 /nfs/dbraw/zinc/21/47/30/342214730.db2.gz JSASGHASFDJGGO-CYBMUJFWSA-N 2 0 267.348 1.241 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+]CC2(C)CCC2)CC1 ZINC000434753276 539044489 /nfs/dbraw/zinc/04/44/89/539044489.db2.gz BMWZDBKLYUCGAF-CQSZACIVSA-N 2 0 253.434 1.792 10 0 CDAERP COC(=O)CCCC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000600754953 342247613 /nfs/dbraw/zinc/24/76/13/342247613.db2.gz NOWGIXPCRDMSIX-HNNXBMFYSA-N 2 0 298.427 1.420 10 0 CDAERP CCn1nccc1CC[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000621776055 539107013 /nfs/dbraw/zinc/10/70/13/539107013.db2.gz AXSHEARJCJNRQJ-CQSZACIVSA-N 2 0 276.428 1.910 10 0 CDAERP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000353517954 539098192 /nfs/dbraw/zinc/09/81/92/539098192.db2.gz LAZJJLCFOGUFQQ-KKUMJFAQSA-N 2 0 253.434 1.647 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)C1CCCCC1 ZINC000600955348 342257948 /nfs/dbraw/zinc/25/79/48/342257948.db2.gz WDVZFQFIAPPAJO-HNNXBMFYSA-N 2 0 281.444 1.851 10 0 CDAERP C=Cn1cc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2)cn1 ZINC000194642266 539159350 /nfs/dbraw/zinc/15/93/50/539159350.db2.gz PJEDSFXKHCFYMB-CQSZACIVSA-N 2 0 257.341 1.845 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H]1[C@@H](C)O[C@@H](C)[C@H]1C ZINC000625976269 342284257 /nfs/dbraw/zinc/28/42/57/342284257.db2.gz YKIVBDSGBPONIH-XVIXHAIJSA-N 2 0 258.406 1.089 10 0 CDAERP C[N@H+](CCC[NH+]1CCCCC1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626039082 342292834 /nfs/dbraw/zinc/29/28/34/342292834.db2.gz OSHXWDFVAOKUTD-BETUJISGSA-N 2 0 253.390 1.058 10 0 CDAERP C[C@H]1C[C@@]2(C[NH+]=C(N)N2Cc2ccccc2)C[N@@H+]1C ZINC000127982250 342296011 /nfs/dbraw/zinc/29/60/11/342296011.db2.gz OYUCOVVVIPXYLP-SWLSCSKDSA-N 2 0 258.369 1.280 10 0 CDAERP C[C@H](CNc1nc(N)[nH+]c2c1CCCC2)C[NH+]1CCCC1 ZINC000645130242 362142479 /nfs/dbraw/zinc/14/24/79/362142479.db2.gz VCPVOXOZJALWRD-GFCCVEGCSA-N 2 0 289.427 1.334 10 0 CDAERP CCO[C@H]1C[C@H]([NH2+]CC2([NH3+])CCOCC2)C12CCC2 ZINC000629522743 362143044 /nfs/dbraw/zinc/14/30/44/362143044.db2.gz ADSDGRBYUBPLFO-STQMWFEESA-N 2 0 268.401 1.432 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000629528818 362154691 /nfs/dbraw/zinc/15/46/91/362154691.db2.gz KIVDYVRQIOBQBV-JTQLQIEISA-N 2 0 258.312 1.851 10 0 CDAERP CC[C@H]([NH2+]CCOCC[NH2+]C)c1cccc(OC)c1 ZINC000629529026 362155359 /nfs/dbraw/zinc/15/53/59/362155359.db2.gz PSVOORXMBQZWCV-HNNXBMFYSA-N 2 0 266.385 1.972 10 0 CDAERP CCO[C@@H](C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+])C1CC1 ZINC000629527708 362152272 /nfs/dbraw/zinc/15/22/72/362152272.db2.gz CZUVEEUHLJUDDU-CABCVRRESA-N 2 0 297.443 1.121 10 0 CDAERP C[NH+](C)[C@H]1CCN(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000176622784 282262233 /nfs/dbraw/zinc/26/22/33/282262233.db2.gz HHXVRMPUOOIWQS-MJBXVCDLSA-N 2 0 282.432 1.205 10 0 CDAERP Cc1nocc1CNc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000645170985 362210406 /nfs/dbraw/zinc/21/04/06/362210406.db2.gz RBGKMHMICCPSRF-UHFFFAOYSA-N 2 0 287.367 1.742 10 0 CDAERP CSC1(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)CC1 ZINC000597182431 343477821 /nfs/dbraw/zinc/47/78/21/343477821.db2.gz NOQJVKNTWKMKMI-ZDUSSCGKSA-N 2 0 273.490 1.744 10 0 CDAERP CCc1nc(C)cc(NCc2cccnc2N(C)C)n1 ZINC000339975797 362251969 /nfs/dbraw/zinc/25/19/69/362251969.db2.gz LOKGBRYYYJNKNC-UHFFFAOYSA-N 2 0 271.368 1.842 10 0 CDAERP CC[NH2+][C@H](C)CNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000659308084 412510530 /nfs/dbraw/zinc/51/05/30/412510530.db2.gz VGCCGUZZBAJVQN-DOMZBBRYSA-N 2 0 289.423 1.793 10 0 CDAERP C[C@@H](C[NH2+]C[C@H](O)COCc1ccco1)C[NH+]1CCCC1 ZINC000062071838 344331715 /nfs/dbraw/zinc/33/17/15/344331715.db2.gz JWINMNDLNLMRBH-GJZGRUSLSA-N 2 0 296.411 1.479 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000569697100 362445043 /nfs/dbraw/zinc/44/50/43/362445043.db2.gz IUODLLDYKMKFTE-MPZDIEGVSA-N 2 0 253.390 1.103 10 0 CDAERP Cc1cc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cc2cccnc12 ZINC000263289364 362585266 /nfs/dbraw/zinc/58/52/66/362585266.db2.gz VMLLZAOKRDGVQA-LSDHHAIUSA-N 2 0 271.364 1.213 10 0 CDAERP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)[C@@H]1CCCCO1 ZINC000623891568 345655877 /nfs/dbraw/zinc/65/58/77/345655877.db2.gz PIUNSBDQQUFXDH-JYJNAYRXSA-N 2 0 284.444 1.771 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CCCn2ccnc2)CC1(C)C ZINC000623335916 346064927 /nfs/dbraw/zinc/06/49/27/346064927.db2.gz LPJHXGWMYCTVQE-CYBMUJFWSA-N 2 0 250.390 1.736 10 0 CDAERP C[C@](O)(C[NH3+])CCCCN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000085303053 179011378 /nfs/dbraw/zinc/01/13/78/179011378.db2.gz HLOVFQJPBYIWFM-HUUCEWRRSA-N 2 0 269.433 1.037 10 0 CDAERP C[NH+](C)CCOc1cccc(NC(=O)[C@@H]2CCC[C@H]2[NH3+])c1 ZINC000085362957 179034509 /nfs/dbraw/zinc/03/45/09/179034509.db2.gz WPFVNBNYKVYVDF-HUUCEWRRSA-N 2 0 291.395 1.693 10 0 CDAERP C[NH+](C)CCN(C(=O)[C@H]1CCC[C@@H]1[NH3+])C1CCCC1 ZINC000085369387 179039153 /nfs/dbraw/zinc/03/91/53/179039153.db2.gz FMZRNTUAZVTQSO-KBPBESRZSA-N 2 0 267.417 1.447 10 0 CDAERP CS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000085376805 179044485 /nfs/dbraw/zinc/04/44/85/179044485.db2.gz RPUDVVNILSDADW-ZFWWWQNUSA-N 2 0 296.436 1.697 10 0 CDAERP CCNC(=O)[C@H](C)[N@@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403724 179052903 /nfs/dbraw/zinc/05/29/03/179052903.db2.gz ZNNPYQHARSLCBK-DZGCQCFKSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000221582699 346368898 /nfs/dbraw/zinc/36/88/98/346368898.db2.gz WIVYATCIPSGIRY-UPJWGTAASA-N 2 0 255.406 1.077 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)NCCNc1cc[nH+]cc1 ZINC000351966443 362725542 /nfs/dbraw/zinc/72/55/42/362725542.db2.gz ZFYVFGMZYJGTFZ-OAHLLOKOSA-N 2 0 290.411 1.296 10 0 CDAERP CCCc1nc2c(n1C[C@H]1CC[N@H+](CC)C1)CC[NH2+]C2 ZINC000085570499 179096671 /nfs/dbraw/zinc/09/66/71/179096671.db2.gz UJRULLAPFUCCAS-ZDUSSCGKSA-N 2 0 276.428 1.823 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COCc2ccco2)CC[N@@H+]1C ZINC000226876860 346524150 /nfs/dbraw/zinc/52/41/50/346524150.db2.gz HMEZYVQZSHXNCW-MGPQQGTHSA-N 2 0 282.384 1.229 10 0 CDAERP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000263308193 362763790 /nfs/dbraw/zinc/76/37/90/362763790.db2.gz YFMFMKHFSVLFPA-BXUZGUMPSA-N 2 0 291.782 1.558 10 0 CDAERP CCC[C@@H]1C[N@H+](CCCn2ccnc2)CCC[NH2+]1 ZINC000085611859 179102581 /nfs/dbraw/zinc/10/25/81/179102581.db2.gz APGKJIIFQIRKIC-CQSZACIVSA-N 2 0 250.390 1.737 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@H]1CC[NH+](C)C(C)(C)C1 ZINC000623446270 346762058 /nfs/dbraw/zinc/76/20/58/346762058.db2.gz XTAHNMNRDIOJGF-VNHYZAJKSA-N 2 0 265.445 1.932 10 0 CDAERP [NH3+][C@@]1(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)CCOC1 ZINC000085871049 179193281 /nfs/dbraw/zinc/19/32/81/179193281.db2.gz ZIFODVGIJKLFHJ-INIZCTEOSA-N 2 0 289.379 1.339 10 0 CDAERP CC[C@@](C[NH3+])(C1CC1)N1CC[NH+](CC2CC2)CC1 ZINC000086120363 179234613 /nfs/dbraw/zinc/23/46/13/179234613.db2.gz TTZVFVJMPGUUQF-OAHLLOKOSA-N 2 0 251.418 1.532 10 0 CDAERP CCC[NH+]1CCC(N2CC[NH2+][C@H](C3CC3)C2)CC1 ZINC000086144540 179237516 /nfs/dbraw/zinc/23/75/16/179237516.db2.gz FIBXLQMLRSJBAG-HNNXBMFYSA-N 2 0 251.418 1.545 10 0 CDAERP c1ccc([C@H]2C[NH2+]CCN2[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000086177574 179246484 /nfs/dbraw/zinc/24/64/84/179246484.db2.gz HEUUFCBUICPVNO-IAGOWNOFSA-N 2 0 271.408 1.870 10 0 CDAERP CC[C@H]1C[NH2+][C@@H](C2CC2)CN1C1CC[NH+](C)CC1 ZINC000086217830 179249513 /nfs/dbraw/zinc/24/95/13/179249513.db2.gz VTYKEBBUOXCLRG-DZGCQCFKSA-N 2 0 251.418 1.543 10 0 CDAERP C[C@H]1C[NH2+]C2(CCCCC2)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223113 179252456 /nfs/dbraw/zinc/25/24/56/179252456.db2.gz SBMRSFSRIZGKCV-LSDHHAIUSA-N 2 0 265.445 1.935 10 0 CDAERP CC(C)[C@H]1C[NH2+][C@H](C2CC2)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086182563 179247687 /nfs/dbraw/zinc/24/76/87/179247687.db2.gz VYPPCMCAPKSMDW-GVDBMIGSSA-N 2 0 277.456 1.789 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCc2cn3c(n2)SCC3)CC1(C)C ZINC000623494120 347604417 /nfs/dbraw/zinc/60/44/17/347604417.db2.gz CFUAETUKSUSVDY-LBPRGKRZSA-N 2 0 294.468 1.994 10 0 CDAERP C[N@@H+]1CC[C@@H](NC[C@@H]2CCC[NH+]2CCCO)CC1(C)C ZINC000623535797 347619934 /nfs/dbraw/zinc/61/99/34/347619934.db2.gz FZRBYBQGRZXVDL-CABCVRRESA-N 2 0 283.460 1.296 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H](CO)CC2CCC2)CC1(C)C ZINC000623511297 347611592 /nfs/dbraw/zinc/61/15/92/347611592.db2.gz JFDGIOJGHIFCPV-UONOGXRCSA-N 2 0 254.418 2.000 10 0 CDAERP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)cn1 ZINC000613666567 347865235 /nfs/dbraw/zinc/86/52/35/347865235.db2.gz TXVOTMAQSCDBIS-HUUCEWRRSA-N 2 0 290.411 1.356 10 0 CDAERP C[C@H](NC(=O)NCCC[NH3+])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417993786 299153427 /nfs/dbraw/zinc/15/34/27/299153427.db2.gz OKTWVNVKVNGIJY-STQMWFEESA-N 2 0 282.432 1.287 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2CCC[N@H+](C)C2)C1 ZINC000073812122 350047505 /nfs/dbraw/zinc/04/75/05/350047505.db2.gz ZHVROZAOBHKECX-ZIAGYGMSSA-N 2 0 282.432 1.206 10 0 CDAERP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CCOCCC[NH3+] ZINC000629536695 362951454 /nfs/dbraw/zinc/95/14/54/362951454.db2.gz GWXJKQIAZJMPLT-UKRRQHHQSA-N 2 0 266.385 1.718 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)[C@@H](CC)[NH+](C)C ZINC000620623054 350293193 /nfs/dbraw/zinc/29/31/93/350293193.db2.gz GADBOQGZYRMPPB-GFCCVEGCSA-N 2 0 257.422 1.563 10 0 CDAERP COc1ccc([C@@H](C)[NH2+]CCOCCC[NH3+])c(F)c1 ZINC000629539503 362956419 /nfs/dbraw/zinc/95/64/19/362956419.db2.gz MPEYOTOBWNHLIM-LLVKDONJSA-N 2 0 270.348 1.850 10 0 CDAERP CC(C)[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)CC[NH2+]1 ZINC000621157358 350464071 /nfs/dbraw/zinc/46/40/71/350464071.db2.gz UOWFMVYCTLLSKY-HNNXBMFYSA-N 2 0 290.411 1.364 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@@H]1CSCCc2ccccc21 ZINC000629540553 362963923 /nfs/dbraw/zinc/96/39/23/362963923.db2.gz VURDLDZGBUPKCL-OAHLLOKOSA-N 2 0 280.437 1.972 10 0 CDAERP CC(C)(C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C(=O)N1CCCC1 ZINC000629548287 362976486 /nfs/dbraw/zinc/97/64/86/362976486.db2.gz NDDRMONHYXPHAX-RRFJBIMHSA-N 2 0 293.455 1.613 10 0 CDAERP CC(C)[NH2+]Cc1cccnc1N(C)CCC[NH+](C)C ZINC000111149177 186359231 /nfs/dbraw/zinc/35/92/31/186359231.db2.gz JZXXMGVXDWCMIC-UHFFFAOYSA-N 2 0 264.417 1.968 10 0 CDAERP COc1ccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cn1 ZINC000621775677 350772113 /nfs/dbraw/zinc/77/21/13/350772113.db2.gz WOKJCPYUCPIIFL-OAHLLOKOSA-N 2 0 275.396 1.912 10 0 CDAERP Cn1cnc(CC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000313261869 350825157 /nfs/dbraw/zinc/82/51/57/350825157.db2.gz JYQISEKBJZDNNG-LSDHHAIUSA-N 2 0 256.353 1.697 10 0 CDAERP COC[C@H](C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)OC ZINC000629564097 363014709 /nfs/dbraw/zinc/01/47/09/363014709.db2.gz RLPIFKGSDQRRMK-VWYCJHECSA-N 2 0 284.322 1.107 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)C[C@H](OC)C1CCCC1 ZINC000629572472 363026851 /nfs/dbraw/zinc/02/68/51/363026851.db2.gz UJHSUOPOERCYOQ-AWEZNQCLSA-N 2 0 258.406 1.359 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1ccc(C)c(F)c1 ZINC000629572632 363029356 /nfs/dbraw/zinc/02/93/56/363029356.db2.gz ZQUPFQQAWWHPNK-UHFFFAOYSA-N 2 0 254.349 1.802 10 0 CDAERP CO[C@@H](CC[NH2+]C[C@@H](O)C[NH+]1CCCC1)C(F)(F)F ZINC000629576781 363035516 /nfs/dbraw/zinc/03/55/16/363035516.db2.gz PGQUMMNJBJBQHU-MNOVXSKESA-N 2 0 284.322 1.000 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@@H]2CCCC[N@H+](C)C2)C1 ZINC000624306859 351543035 /nfs/dbraw/zinc/54/30/35/351543035.db2.gz RNPBYTVFTXHKKV-SOUVJXGZSA-N 2 0 296.459 1.358 10 0 CDAERP [NH3+]C[C@H](NC(=O)N1CCC2(CC[NH2+]C2)CC1)C1CCCC1 ZINC000333737063 363124955 /nfs/dbraw/zinc/12/49/55/363124955.db2.gz XBIQZKWMOTZCDJ-AWEZNQCLSA-N 2 0 294.443 1.289 10 0 CDAERP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCCCC[C@H]1C(=O)OC ZINC000569938101 363227235 /nfs/dbraw/zinc/22/72/35/363227235.db2.gz SDYJUPJSZXWTLH-MCIONIFRSA-N 2 0 286.416 1.011 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1ccc(OC)c(O)c1 ZINC000629652241 363250296 /nfs/dbraw/zinc/25/02/96/363250296.db2.gz DJNPYOXAYYNBQW-UHFFFAOYSA-N 2 0 268.357 1.069 10 0 CDAERP CC(C)=CC[N@H+](C)CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001660147153 1172166285 /nfs/dbraw/zinc/16/62/85/1172166285.db2.gz ZZVMXBQVUDEFFU-MRXNPFEDSA-N 2 0 293.455 1.733 10 0 CDAERP COc1cc(C)c(C[N@H+](C)CCOCC[NH3+])c(C)n1 ZINC000629662187 363317084 /nfs/dbraw/zinc/31/70/84/363317084.db2.gz DFTHQWXDOICTIQ-UHFFFAOYSA-N 2 0 267.373 1.114 10 0 CDAERP Cc1nn(C(C)C)cc1C[NH2+]CCOCCC[NH3+] ZINC000629681923 363330970 /nfs/dbraw/zinc/33/09/70/363330970.db2.gz VMUZLQAHUWXRMN-UHFFFAOYSA-N 2 0 254.378 1.227 10 0 CDAERP C[N@@H+](Cc1ccccc1)C[C@H](O)CN[C@H]1CCC[NH+](C)C1 ZINC000644548170 366166270 /nfs/dbraw/zinc/16/62/70/366166270.db2.gz RUFDZHAKDXQVKF-DLBZAZTESA-N 2 0 291.439 1.163 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)NC1CCC([NH3+])CC1 ZINC000257661981 482744210 /nfs/dbraw/zinc/74/42/10/482744210.db2.gz DMWUWGBGIFRUIE-JXQTWKCFSA-N 2 0 267.417 1.637 10 0 CDAERP C[N@@H+]1CC[C@H](NC[C@@H]2CC[NH+](C3CC3)C2)[C@@H]2CCC[C@@H]21 ZINC000353462856 283137610 /nfs/dbraw/zinc/13/76/10/283137610.db2.gz PPTRYJVJHGDWHI-HJWJTTGWSA-N 2 0 277.456 1.933 10 0 CDAERP CO[C@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)[C@H]1CCOC1 ZINC000659956876 412635868 /nfs/dbraw/zinc/63/58/68/412635868.db2.gz OEMYVTWQODOHJI-YESZJQIVSA-N 2 0 296.455 1.846 10 0 CDAERP CCOC(=O)[C@@H]1CCC[N@@H+](C2CCC3(C[C@H]3[NH3+])CC2)C1 ZINC000725271249 538461522 /nfs/dbraw/zinc/46/15/22/538461522.db2.gz ZPGSMGCLAFJFMU-ILTLLKDXSA-N 2 0 280.412 1.922 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCn1ccnc1 ZINC000176368127 366327630 /nfs/dbraw/zinc/32/76/30/366327630.db2.gz UFXZKKYEIGWIOG-CYBMUJFWSA-N 2 0 279.388 1.009 10 0 CDAERP C[NH+](C)CCOC(=O)c1ccc(NCCCC[NH3+])cc1 ZINC000013672788 356687440 /nfs/dbraw/zinc/68/74/40/356687440.db2.gz WEECLERHMCOUQT-UHFFFAOYSA-N 2 0 279.384 1.556 10 0 CDAERP Cc1cnn(C[C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000072253955 356685229 /nfs/dbraw/zinc/68/52/29/356685229.db2.gz RVQWBHKUXRWTGA-JKSUJKDBSA-N 2 0 294.443 1.262 10 0 CDAERP C[NH+](C)C1CCC([NH2+]C[C@@H](O)C[C@@](C)(O)C2CC2)CC1 ZINC000634716942 357428069 /nfs/dbraw/zinc/42/80/69/357428069.db2.gz BTZCOTMHGUKKCU-SSHXOBKSSA-N 2 0 284.444 1.361 10 0 CDAERP CC(C)[C@@H](C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[C@@H](C)[NH3+] ZINC000634742828 358190652 /nfs/dbraw/zinc/19/06/52/358190652.db2.gz ZDJAMTNGZDIUCB-GBOPCIDUSA-N 2 0 267.417 1.064 10 0 CDAERP CC[C@H](C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[NH+](CC)CC ZINC000634744975 358195124 /nfs/dbraw/zinc/19/51/24/358195124.db2.gz RHPMFFOSUPAYSL-BMFZPTHFSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@@]1(C(=O)N2CCC([NH+]3CCCC3)CC2)CCC[NH2+]1 ZINC000128959458 358273750 /nfs/dbraw/zinc/27/37/50/358273750.db2.gz ORRMRVHMRULMKQ-INIZCTEOSA-N 2 0 279.428 1.605 10 0 CDAERP C=Cn1cc(C[NH2+]CCCC[NH+]2CCOCC2)cn1 ZINC000194214979 358351131 /nfs/dbraw/zinc/35/11/31/358351131.db2.gz SQIRVFMZHGVMPI-UHFFFAOYSA-N 2 0 264.373 1.186 10 0 CDAERP C[C@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)[C@@H]1CCC[NH2+]C1 ZINC000569591887 358655709 /nfs/dbraw/zinc/65/57/09/358655709.db2.gz NIQUIQKBTWWCGK-YNEHKIRRSA-N 2 0 293.377 1.848 10 0 CDAERP C[C@@H]([NH3+])C[C@H](C)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000567821216 358692870 /nfs/dbraw/zinc/69/28/70/358692870.db2.gz WWWMVDCNOYXAFM-YJBUHQLJSA-N 2 0 282.432 1.427 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000055088828 358764677 /nfs/dbraw/zinc/76/46/77/358764677.db2.gz FPORNEYWNSZHMK-UONOGXRCSA-N 2 0 269.433 1.550 10 0 CDAERP COCC[N@@H+]1CCN(CCCc2cncn2C)C(C)(C)C1 ZINC000653779327 412678365 /nfs/dbraw/zinc/67/83/65/412678365.db2.gz WGKQPZMBVKEMSJ-UHFFFAOYSA-N 2 0 294.443 1.395 10 0 CDAERP O=C(CC[N@@H+]1CCc2cc(F)ccc2C1)N1CC[NH2+]CC1 ZINC000335243487 359120235 /nfs/dbraw/zinc/12/02/35/359120235.db2.gz YDUPKOFYCSYHFM-UHFFFAOYSA-N 2 0 291.370 1.006 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)CC[C@@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000261912752 359086720 /nfs/dbraw/zinc/08/67/20/359086720.db2.gz WQFSAMMXYKUXAH-ZNMIVQPWSA-N 2 0 281.444 1.565 10 0 CDAERP C[N@H+](CCN[C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)C1CCCC1 ZINC000261932252 359094608 /nfs/dbraw/zinc/09/46/08/359094608.db2.gz LUODGSQMFIFGTE-GVDBMIGSSA-N 2 0 295.471 1.608 10 0 CDAERP C[C@H]1CCC[N@H+](CCNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000262301777 359152159 /nfs/dbraw/zinc/15/21/59/359152159.db2.gz ALHGFBAHSLYMII-IHRRRGAJSA-N 2 0 267.417 1.223 10 0 CDAERP C[NH+]1CCC([C@H]2CCN(C(=O)C3CC[NH2+]CC3)C2)CC1 ZINC000262536489 359177102 /nfs/dbraw/zinc/17/71/02/359177102.db2.gz JXBGIODDWZQYLE-HNNXBMFYSA-N 2 0 279.428 1.176 10 0 CDAERP [NH3+]CCN(CCc1ccccc1)C(=O)C[C@@H]1CC[NH2+]C1 ZINC000261758448 283434847 /nfs/dbraw/zinc/43/48/47/283434847.db2.gz PXXCJJVMXWLCPD-HNNXBMFYSA-N 2 0 275.396 1.016 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113591143 359618953 /nfs/dbraw/zinc/61/89/53/359618953.db2.gz XXZNCWMMFXMWID-QLFBSQMISA-N 2 0 296.459 1.595 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](c1ccc(F)cc1)N(C)C ZINC000422719535 359651865 /nfs/dbraw/zinc/65/18/65/359651865.db2.gz YMJVRUDXLOOYKX-CVEARBPZSA-N 2 0 297.418 1.772 10 0 CDAERP C1CC1[C@@H](NC1CC([NH+]2CCCCC2)C1)[C@@H]1C[NH2+]CCO1 ZINC000423104181 359750204 /nfs/dbraw/zinc/75/02/04/359750204.db2.gz XYWHXXIJNDQQMR-SJJHQCBESA-N 2 0 293.455 1.360 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1cc(C)cc(OC)c1 ZINC000423005641 359734704 /nfs/dbraw/zinc/73/47/04/359734704.db2.gz SPVUCVHYPPYMFD-CQSZACIVSA-N 2 0 266.385 1.847 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C2CCC(C(N)=O)CC2)[C@H]2CCC[C@H]21 ZINC000560521403 359737161 /nfs/dbraw/zinc/73/71/61/359737161.db2.gz MMXRCFFLNYAUJK-IPOFZDNWSA-N 2 0 279.428 1.493 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000336819649 359871283 /nfs/dbraw/zinc/87/12/83/359871283.db2.gz ABIBCKOLIQKBGU-CVEARBPZSA-N 2 0 281.444 1.125 10 0 CDAERP CC(C)C[C@@H]([NH3+])C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424368928 360024118 /nfs/dbraw/zinc/02/41/18/360024118.db2.gz ATYYZZATKVYAHQ-UONOGXRCSA-N 2 0 253.434 1.824 10 0 CDAERP CC[C@@]1(C(=O)N2CC[NH+](C3CCCC3)CC2)CC[NH2+]C1 ZINC000062903834 360029596 /nfs/dbraw/zinc/02/95/96/360029596.db2.gz HERHYGDQMXHYDA-MRXNPFEDSA-N 2 0 279.428 1.463 10 0 CDAERP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)CC[C@H]1CCCC[NH+]1C ZINC000355707296 360078315 /nfs/dbraw/zinc/07/83/15/360078315.db2.gz FEOPDZRQYFMHDP-RBSFLKMASA-N 2 0 281.444 1.802 10 0 CDAERP [NH3+][C@H](CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+])c1ccccc1 ZINC000424482866 360083114 /nfs/dbraw/zinc/08/31/14/360083114.db2.gz VRHNARTZBMFLTH-MGPQQGTHSA-N 2 0 276.384 1.256 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)Cc2cnc(C)cn2)[C@@H](C)C1 ZINC000229859170 360172691 /nfs/dbraw/zinc/17/26/91/360172691.db2.gz KXNLRJWHUBFFKI-WFASDCNBSA-N 2 0 262.401 1.947 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)c2cccnc2)CC[N@@H+]1C ZINC000348690896 360544287 /nfs/dbraw/zinc/54/42/87/360544287.db2.gz YWBAKZUOOXSCEJ-SNPRPXQTSA-N 2 0 263.385 1.230 10 0 CDAERP Cn1c2ccc(C[NH2+][C@@H]3CC[C@@H](C[NH3+])C3)cc2sc1=O ZINC000516551205 360617372 /nfs/dbraw/zinc/61/73/72/360617372.db2.gz WIOSKVWESADFOX-ZYHUDNBSSA-N 2 0 291.420 1.817 10 0 CDAERP C[C@H]1CC[C@@H](NC(=O)NCC2([NH+](C)C)CCCC2)C[NH2+]1 ZINC000626920670 360638623 /nfs/dbraw/zinc/63/86/23/360638623.db2.gz IOXYTQSJMXCHOJ-QWHCGFSZSA-N 2 0 282.432 1.301 10 0 CDAERP COCC(C)(C)[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000429243092 360786659 /nfs/dbraw/zinc/78/66/59/360786659.db2.gz ZJWSEIKIQDQEJO-UHFFFAOYSA-N 2 0 297.443 1.086 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CC[NH+]2CCC1CC2 ZINC000335739377 360872240 /nfs/dbraw/zinc/87/22/40/360872240.db2.gz ILHJURPDLGBING-AWEZNQCLSA-N 2 0 279.428 1.558 10 0 CDAERP C[C@H](NC[C@H](c1ccccc1)[NH+](C)C)[C@@H]1CC[NH2+]C1 ZINC000400735816 299316166 /nfs/dbraw/zinc/31/61/66/299316166.db2.gz RRBGOHSRDLYZJI-NUEKZKHPSA-N 2 0 261.413 1.877 10 0 CDAERP COC(=O)c1coc(C[NH2+]CCCC[NH+](C)C)c1 ZINC000130761680 360996783 /nfs/dbraw/zinc/99/67/83/360996783.db2.gz GKZITHGYGPVNRU-UHFFFAOYSA-N 2 0 254.330 1.498 10 0 CDAERP C[C@@H]1CN(Cc2cc(-c3cnn(C)c3)no2)CC[C@@H]1[NH3+] ZINC000564729367 360981494 /nfs/dbraw/zinc/98/14/94/360981494.db2.gz PXAAWHGHMQOFCZ-MFKMUULPSA-N 2 0 275.356 1.244 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CC[C@@H]2CCNC2=O)[C@@H](C)C1 ZINC000519419246 361306138 /nfs/dbraw/zinc/30/61/38/361306138.db2.gz MNUCOTJJFNJNKR-IHRRRGAJSA-N 2 0 267.417 1.175 10 0 CDAERP O=C([C@@H]1CC[NH2+]C1)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000373041324 296037312 /nfs/dbraw/zinc/03/73/12/296037312.db2.gz ZZWHARZTWQSRKS-KGLIPLIRSA-N 2 0 265.401 1.073 10 0 CDAERP C[C@H](C[NH3+])NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000417937727 361425370 /nfs/dbraw/zinc/42/53/70/361425370.db2.gz IRTWAGGMBFJONX-XBFCOCLRSA-N 2 0 276.384 1.078 10 0 CDAERP COCCN1CC[C@@H]([NH2+]CCCCC[NH+]2CCCC2)C1 ZINC000339498387 361541168 /nfs/dbraw/zinc/54/11/68/361541168.db2.gz RBABSVLSPWLGCQ-MRXNPFEDSA-N 2 0 283.460 1.563 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000333439777 291279658 /nfs/dbraw/zinc/27/96/58/291279658.db2.gz VYDBPIMKAAGWGY-WFASDCNBSA-N 2 0 294.443 1.525 10 0 CDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000644154031 364031363 /nfs/dbraw/zinc/03/13/63/364031363.db2.gz ODFGXWPDRJEYPN-HIFRSBDPSA-N 2 0 289.423 1.621 10 0 CDAERP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)CC[C@H](C)[NH3+] ZINC000248867560 364322962 /nfs/dbraw/zinc/32/29/62/364322962.db2.gz NRWNMLHKBAJRKR-YIYPIFLZSA-N 2 0 269.433 1.596 10 0 CDAERP CCC(C)(C)NC(=O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000111611929 364959224 /nfs/dbraw/zinc/95/92/24/364959224.db2.gz RGRTZHLWUXMMIP-LLVKDONJSA-N 2 0 255.406 1.350 10 0 CDAERP COCC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353530327 365281032 /nfs/dbraw/zinc/28/10/32/365281032.db2.gz SCLVLIJXDUSIDG-YJNKXOJESA-N 2 0 270.417 1.236 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000626997049 367217824 /nfs/dbraw/zinc/21/78/24/367217824.db2.gz MSILXGAWJNPYFI-AUZPSNTRSA-N 2 0 280.416 1.051 10 0 CDAERP C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)C1=CC[NH+](C)CC1 ZINC000357870224 367267515 /nfs/dbraw/zinc/26/75/15/367267515.db2.gz NGYRFOGTFSFGKR-JSGCOSHPSA-N 2 0 280.416 1.030 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000627116206 367479613 /nfs/dbraw/zinc/47/96/13/367479613.db2.gz XOGZDNIGUASZLX-KCQAQPDRSA-N 2 0 294.443 1.443 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(C[NH3+])cc1F ZINC000627112344 367465187 /nfs/dbraw/zinc/46/51/87/367465187.db2.gz XEHLBAHTHCRIMC-ZDUSSCGKSA-N 2 0 294.374 1.178 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000627161854 367592056 /nfs/dbraw/zinc/59/20/56/367592056.db2.gz ZFYMBFNOOSQPGU-UONOGXRCSA-N 2 0 282.432 1.254 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000627164626 367596843 /nfs/dbraw/zinc/59/68/43/367596843.db2.gz FZAOPVSLZSFNLV-LXTVHRRPSA-N 2 0 296.459 1.499 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000416999342 242258034 /nfs/dbraw/zinc/25/80/34/242258034.db2.gz CASRJYTVPCUWAZ-YNEHKIRRSA-N 2 0 270.421 1.156 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000417001728 242258395 /nfs/dbraw/zinc/25/83/95/242258395.db2.gz FHKPAITYSPXFHQ-CHWSQXEVSA-N 2 0 270.421 1.016 10 0 CDAERP C[C@H](CNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000417009692 242266702 /nfs/dbraw/zinc/26/67/02/242266702.db2.gz KOEZYPCWQIIGGF-KBUPBQIOSA-N 2 0 296.459 1.404 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)N[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000417383436 242448242 /nfs/dbraw/zinc/44/82/42/242448242.db2.gz ARDHFIPDQJZPNN-RYUDHWBXSA-N 2 0 270.421 1.286 10 0 CDAERP c1c(CNC[C@H]2CCC[NH2+]2)[nH]nc1-c1ccccc1 ZINC000414853289 367664713 /nfs/dbraw/zinc/66/47/13/367664713.db2.gz XISSQRQLDKQELX-CYBMUJFWSA-N 2 0 256.353 1.918 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)C[NH2+]1 ZINC000627199028 367689222 /nfs/dbraw/zinc/68/92/22/367689222.db2.gz QCQLQRWDZCGFIV-HZSPNIEDSA-N 2 0 282.432 1.110 10 0 CDAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627200666 367692557 /nfs/dbraw/zinc/69/25/57/367692557.db2.gz SWARQZXVGCHSCH-BARDWOONSA-N 2 0 294.443 1.395 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000627201049 367693731 /nfs/dbraw/zinc/69/37/31/367693731.db2.gz VZKRQPZOKNNRNZ-ILXRZTDVSA-N 2 0 296.459 1.500 10 0 CDAERP [NH3+]CC1CCC([NH2+]CCCNCc2cccnc2)CC1 ZINC000414857317 367713313 /nfs/dbraw/zinc/71/33/13/367713313.db2.gz CRZWONRFBYSELJ-UHFFFAOYSA-N 2 0 276.428 1.668 10 0 CDAERP CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627244041 367863578 /nfs/dbraw/zinc/86/35/78/367863578.db2.gz CUZMSSCXCDIHPT-QWHCGFSZSA-N 2 0 270.421 1.110 10 0 CDAERP [NH3+][C@@H]1CC=C(C(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000638057292 367888217 /nfs/dbraw/zinc/88/82/17/367888217.db2.gz ACJHOHPCDYGXEQ-CYBMUJFWSA-N 2 0 263.385 1.121 10 0 CDAERP CC(C)[NH+]1CCC(N(C)C(=O)CCC2C[NH2+]C2)CC1 ZINC000638059400 367895814 /nfs/dbraw/zinc/89/58/14/367895814.db2.gz LMQFYSMPSGZTFL-UHFFFAOYSA-N 2 0 267.417 1.317 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)CCC2C[NH2+]C2)CC1 ZINC000638065606 367957118 /nfs/dbraw/zinc/95/71/18/367957118.db2.gz BDWLGVFBHVMXEH-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP C[C@@H](CN1CCC[C@@H](C)C1)[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000360328924 368234911 /nfs/dbraw/zinc/23/49/11/368234911.db2.gz IENPJRYMVRIAJA-QPSCCSFWSA-N 2 0 253.434 1.647 10 0 CDAERP CC(C)[C@@H]([NH3+])CNC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000418395823 243026748 /nfs/dbraw/zinc/02/67/48/243026748.db2.gz CHFLFPLWMAOCDC-HNNXBMFYSA-N 2 0 292.427 1.183 10 0 CDAERP C[NH2+]C[C@H]1CCCN1C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418445777 243086482 /nfs/dbraw/zinc/08/64/82/243086482.db2.gz HQFPAXCFCFQALK-ZIAGYGMSSA-N 2 0 276.384 1.080 10 0 CDAERP CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418444662 243087284 /nfs/dbraw/zinc/08/72/84/243087284.db2.gz GQNMRBBOBAWLIM-HUUCEWRRSA-N 2 0 292.427 1.701 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[NH2+][C@H](C)[C@@H]2C)cc1 ZINC000418466818 243112076 /nfs/dbraw/zinc/11/20/76/243112076.db2.gz RVYLMJUWPWTVDH-XQQFMLRXSA-N 2 0 290.411 1.598 10 0 CDAERP C(C[C@H]1CCO1)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000638114132 368465047 /nfs/dbraw/zinc/46/50/47/368465047.db2.gz XRLDQDXIFPWNFG-GJZGRUSLSA-N 2 0 252.402 1.973 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000418585692 243241811 /nfs/dbraw/zinc/24/18/11/243241811.db2.gz DTIHZSRXTZWPSL-IHRRRGAJSA-N 2 0 282.432 1.110 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000418603949 243265091 /nfs/dbraw/zinc/26/50/91/243265091.db2.gz XDNYVULHAYHOAK-ZIAGYGMSSA-N 2 0 282.432 1.112 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000418578671 243231976 /nfs/dbraw/zinc/23/19/76/243231976.db2.gz QFINFMFLRCBSSN-RDBSUJKOSA-N 2 0 282.432 1.110 10 0 CDAERP CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000418689158 243340935 /nfs/dbraw/zinc/34/09/35/243340935.db2.gz BNZUHNXNKRATEL-KBPBESRZSA-N 2 0 286.464 1.732 10 0 CDAERP C[NH2+][C@@H]1CCCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000567233624 370925956 /nfs/dbraw/zinc/92/59/56/370925956.db2.gz ZUDIUCWIWQHJSM-KGLIPLIRSA-N 2 0 267.417 1.461 10 0 CDAERP COCCOCCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000367638758 369204591 /nfs/dbraw/zinc/20/45/91/369204591.db2.gz QJQVMPJQXWWCOG-ZNMIVQPWSA-N 2 0 270.417 1.502 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)C2CCC([NH3+])CC2)CC1 ZINC000037629827 369470544 /nfs/dbraw/zinc/47/05/44/369470544.db2.gz YYBAIUINCRUIIR-UHFFFAOYSA-N 2 0 267.417 1.493 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000547968581 369702595 /nfs/dbraw/zinc/70/25/95/369702595.db2.gz LPALPYCLAWNPRC-LSDHHAIUSA-N 2 0 286.379 1.825 10 0 CDAERP CCC(C)(C)NC(=O)CN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842983 369902987 /nfs/dbraw/zinc/90/29/87/369902987.db2.gz BBUWBTVRTLMKNN-CYBMUJFWSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@H](C(=O)N1CC[N@@H+]2CCC[C@H]2C1)[C@@H]([NH3+])c1ccccc1 ZINC000246440969 370072361 /nfs/dbraw/zinc/07/23/61/370072361.db2.gz DSKMTOLMXSZVMJ-CWRNSKLLSA-N 2 0 287.407 1.629 10 0 CDAERP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353532446 370222924 /nfs/dbraw/zinc/22/29/24/370222924.db2.gz WSWVYIJHLOWGIR-VQJWOFKYSA-N 2 0 254.418 1.856 10 0 CDAERP C[N@H+](CCCCNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)C1CC1 ZINC000418269733 370362651 /nfs/dbraw/zinc/36/26/51/370362651.db2.gz QQYYTFVXVYMMHN-OAHLLOKOSA-N 2 0 294.443 1.397 10 0 CDAERP [NH3+]CC12CCC(CC1)CN2CC[C@@H]1CCC[NH2+]C1 ZINC000565312407 370416883 /nfs/dbraw/zinc/41/68/83/370416883.db2.gz CCIMPZUJJNTUKP-NFOMZHRRSA-N 2 0 251.418 1.579 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1COc2c(cccc2OC)C1 ZINC000643452083 370446835 /nfs/dbraw/zinc/44/68/35/370446835.db2.gz XMMITPFVNREEJJ-KBPBESRZSA-N 2 0 294.395 1.342 10 0 CDAERP COc1cc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc2c1OCCO2 ZINC000565480679 370457599 /nfs/dbraw/zinc/45/75/99/370457599.db2.gz HMDZKUMGUNFFAJ-MNOVXSKESA-N 2 0 280.368 1.682 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)NCC2([NH3+])CCCCCC2)CC[NH2+]1 ZINC000418284714 370474795 /nfs/dbraw/zinc/47/47/95/370474795.db2.gz NETOTZMSRKWJEL-OLZOCXBDSA-N 2 0 282.432 1.478 10 0 CDAERP C[C@@H](N[C@H](Cc1ccccc1)C[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000422720840 296159874 /nfs/dbraw/zinc/15/98/74/296159874.db2.gz TZYHHWSMWATITF-OIISXLGYSA-N 2 0 275.440 1.889 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCCCC[NH2+]2)CC[N@@H+]1C ZINC000372497675 370497488 /nfs/dbraw/zinc/49/74/88/370497488.db2.gz REUTYZQRFIRBND-HZSPNIEDSA-N 2 0 267.417 1.460 10 0 CDAERP C[C@H]1CC[NH2+]C[C@@H]1NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000422743112 245202711 /nfs/dbraw/zinc/20/27/11/245202711.db2.gz HXUJXCTYKOFTOC-LRDDRELGSA-N 2 0 279.403 1.975 10 0 CDAERP COC(=O)c1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000414964980 371103509 /nfs/dbraw/zinc/10/35/09/371103509.db2.gz VEVQONRKTKNBKC-BXUZGUMPSA-N 2 0 262.353 1.561 10 0 CDAERP C[C@H]([NH2+]CCn1cncn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272533608 371112245 /nfs/dbraw/zinc/11/22/45/371112245.db2.gz RBGJHMQYTKIJEH-RDJZCZTQSA-N 2 0 299.422 1.778 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCN1CCC[C@@H](C)C1 ZINC000422860950 245343221 /nfs/dbraw/zinc/34/32/21/245343221.db2.gz NHVYVOBXOBPVBH-KGLIPLIRSA-N 2 0 257.422 1.062 10 0 CDAERP COc1ccc(C[C@@H](C)[NH2+][C@H]2CCc3nc[nH]c3C2)cn1 ZINC000573070365 371409792 /nfs/dbraw/zinc/40/97/92/371409792.db2.gz NJUXEWVQJUEMLK-YPMHNXCESA-N 2 0 286.379 1.891 10 0 CDAERP C[C@H]([NH2+][C@H](CO)Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000573355246 371514238 /nfs/dbraw/zinc/51/42/38/371514238.db2.gz JCFWNAVISIBIEK-IMJJTQAJSA-N 2 0 262.397 1.568 10 0 CDAERP C[NH+](C)[C@H]1CCN(C(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000171379363 371736127 /nfs/dbraw/zinc/73/61/27/371736127.db2.gz FOZBXOZSTLCYSD-AWEZNQCLSA-N 2 0 282.432 1.064 10 0 CDAERP C[C@H]([NH2+][C@@H]1COc2ccccc2C1)[C@H]1CCC[NH2+]C1 ZINC000582474275 372317466 /nfs/dbraw/zinc/31/74/66/372317466.db2.gz IZLSGCCBTMIXEA-QEJZJMRPSA-N 2 0 260.381 1.968 10 0 CDAERP CC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)NC(C)C)C1 ZINC000173912260 372522065 /nfs/dbraw/zinc/52/20/65/372522065.db2.gz DFLBRSJPLSELCQ-CYBMUJFWSA-N 2 0 255.406 1.175 10 0 CDAERP c1[nH]nc2c1[C@@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000367620748 372650025 /nfs/dbraw/zinc/65/00/25/372650025.db2.gz RFIBFCZWLJKCBB-RISCZKNCSA-N 2 0 260.385 1.861 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N[C@H]1CCC[NH+](CC)C1 ZINC000175361927 372663930 /nfs/dbraw/zinc/66/39/30/372663930.db2.gz CSAFCIZUAOGVQL-AWEZNQCLSA-N 2 0 284.448 1.502 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1[C@H](C)[C@@H](OC)C1(C)C ZINC000423019785 245500568 /nfs/dbraw/zinc/50/05/68/245500568.db2.gz XEJQUVRUMABEMV-WUHRBBMRSA-N 2 0 258.406 1.389 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@@H]2CCC[NH+](CC)C2)C1 ZINC000193780771 372750945 /nfs/dbraw/zinc/75/09/45/372750945.db2.gz HVFBTNBSMCUXFT-LSDHHAIUSA-N 2 0 296.459 1.502 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000341210084 373410266 /nfs/dbraw/zinc/41/02/66/373410266.db2.gz DWEGBKCCZWLFNP-JKSUJKDBSA-N 2 0 293.455 1.948 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CCC[NH+](CC)C1 ZINC000066187594 374307360 /nfs/dbraw/zinc/30/73/60/374307360.db2.gz ACOOQWOQEOSGHJ-UONOGXRCSA-N 2 0 284.448 1.500 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)[C@@H](C)C1 ZINC000418757176 374565849 /nfs/dbraw/zinc/56/58/49/374565849.db2.gz DLRMIOSQINJENW-YJNKXOJESA-N 2 0 296.459 1.486 10 0 CDAERP C[NH+]1CCN(CCC[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000638847975 375083138 /nfs/dbraw/zinc/08/31/38/375083138.db2.gz FELZVGYKJBVVRK-QDMKHBRRSA-N 2 0 251.418 1.260 10 0 CDAERP CC(C)(C)OC[C@H](O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047972273 375261307 /nfs/dbraw/zinc/26/13/07/375261307.db2.gz TVLNIZKAWMZIIL-MRXNPFEDSA-N 2 0 298.471 1.970 10 0 CDAERP C[N@H+](CCCNC(=O)NCCC[NH3+])C1CCCCC1 ZINC000417027688 375713180 /nfs/dbraw/zinc/71/31/80/375713180.db2.gz NXLSPYQSFVQQRW-UHFFFAOYSA-N 2 0 270.421 1.289 10 0 CDAERP CC[NH2+]CC1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000417290052 375748111 /nfs/dbraw/zinc/74/81/11/375748111.db2.gz WLLJOLMCRIWZBN-AWEZNQCLSA-N 2 0 282.432 1.112 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000417384699 376147842 /nfs/dbraw/zinc/14/78/42/376147842.db2.gz CZTQVPHGSCUDSZ-UHFFFAOYSA-N 2 0 296.459 1.502 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH+](CC)CC)C2)CC[N@@H+]1C ZINC000631550334 376359869 /nfs/dbraw/zinc/35/98/69/376359869.db2.gz POLHNYCGNNEPLK-OWCLPIDISA-N 2 0 295.471 1.907 10 0 CDAERP CC1=CC[NH+](CCNC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000420829854 376434160 /nfs/dbraw/zinc/43/41/60/376434160.db2.gz GWWHTRDKYKFJMK-HNNXBMFYSA-N 2 0 294.443 1.374 10 0 CDAERP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc2oc(=O)n(C)c2c1 ZINC000631823232 376647762 /nfs/dbraw/zinc/64/77/62/376647762.db2.gz ZHECYPSKCJSZHZ-ZYHUDNBSSA-N 2 0 275.352 1.301 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000071932675 376783174 /nfs/dbraw/zinc/78/31/74/376783174.db2.gz JMVLYEABNDSCAH-LSDHHAIUSA-N 2 0 298.475 1.748 10 0 CDAERP C(CN1CCC[C@H]2C[NH2+]CC[C@H]21)[C@@H]1CCC[NH2+]C1 ZINC000631889661 376783710 /nfs/dbraw/zinc/78/37/10/376783710.db2.gz KXJSCKXDSXAGPX-SOUVJXGZSA-N 2 0 251.418 1.450 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N2CC[C@@H]([NH2+]C)C2)CC1 ZINC000417399715 376960977 /nfs/dbraw/zinc/96/09/77/376960977.db2.gz ZZZVMSOLVHPOPU-CQSZACIVSA-N 2 0 282.432 1.112 10 0 CDAERP CS[C@H]1CC[C@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000425388667 376992783 /nfs/dbraw/zinc/99/27/83/376992783.db2.gz WLURUCKAOBNENU-OLZOCXBDSA-N 2 0 271.474 1.496 10 0 CDAERP CN(C(=O)C1([NH3+])CCCCC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000334661105 377250840 /nfs/dbraw/zinc/25/08/40/377250840.db2.gz CHLXLBWJSATVCT-ZDUSSCGKSA-N 2 0 265.401 1.343 10 0 CDAERP C[C@@H](O)CC[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000425430814 377334841 /nfs/dbraw/zinc/33/48/41/377334841.db2.gz GOJBTOKQRYWHMQ-OAHLLOKOSA-N 2 0 283.460 1.107 10 0 CDAERP COc1ccsc1CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000334765009 377484725 /nfs/dbraw/zinc/48/47/25/377484725.db2.gz IBFMKRDBHYGWEC-QWRGUYRKSA-N 2 0 252.383 1.941 10 0 CDAERP O=C(C1CCCCC1)N1CC[C@@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC000334818331 377648148 /nfs/dbraw/zinc/64/81/48/377648148.db2.gz CPPPWJSDDHYJSF-OAHLLOKOSA-N 2 0 279.428 1.509 10 0 CDAERP [NH3+][C@H](CNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000572263170 377811329 /nfs/dbraw/zinc/81/13/29/377811329.db2.gz JHKMRFFMMBHSCY-QLFBSQMISA-N 2 0 288.395 1.222 10 0 CDAERP CCOC[C@@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000078699258 377852613 /nfs/dbraw/zinc/85/26/13/377852613.db2.gz RSJSLXSUQLFPLP-SJORKVTESA-N 2 0 298.471 1.972 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH+](C)C(C)C)CC[N@@H+]1C ZINC000633140886 378148905 /nfs/dbraw/zinc/14/89/05/378148905.db2.gz QXYGVEDWASGSJT-HZSPNIEDSA-N 2 0 269.433 1.562 10 0 CDAERP CC[C@](C)(O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662324838 412893012 /nfs/dbraw/zinc/89/30/12/412893012.db2.gz YVCSOXJOIPBGGJ-KBPBESRZSA-N 2 0 258.406 1.190 10 0 CDAERP C[C@@H]1C[C@H]([N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)CCO1 ZINC000662325055 412895249 /nfs/dbraw/zinc/89/52/49/412895249.db2.gz BKANOLBXGWYRKK-KFWWJZLASA-N 2 0 270.417 1.597 10 0 CDAERP C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1ccccc1N1CCOCC1 ZINC000343838052 379016106 /nfs/dbraw/zinc/01/61/06/379016106.db2.gz GTQCIXJVLPJNLR-ZBFHGGJFSA-N 2 0 289.423 1.563 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000657572826 412903605 /nfs/dbraw/zinc/90/36/05/412903605.db2.gz HJSFBUVKIXQVRF-SOUVJXGZSA-N 2 0 271.449 1.416 10 0 CDAERP COC[C@H](C[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)OC ZINC000344308053 379450735 /nfs/dbraw/zinc/45/07/35/379450735.db2.gz SAHOSBXIYSIUAD-HNNXBMFYSA-N 2 0 290.367 1.327 10 0 CDAERP [NH3+]C1(c2noc([C@H](F)[C@@H]3CC[NH2+]C3)n2)CCCC1 ZINC000634555532 379666882 /nfs/dbraw/zinc/66/68/82/379666882.db2.gz MNKCBCTWYNMLRC-RKDXNWHRSA-N 2 0 254.309 1.418 10 0 CDAERP COC[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657596615 412924180 /nfs/dbraw/zinc/92/41/80/412924180.db2.gz PACMKAOWGAMROB-CJNGLKHVSA-N 2 0 278.396 1.378 10 0 CDAERP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1)CC(C)C ZINC000236881150 284820741 /nfs/dbraw/zinc/82/07/41/284820741.db2.gz ACVKWCRTXWOICP-KFWWJZLASA-N 2 0 283.460 1.987 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)CCCCCC[NH3+] ZINC000041680092 184551041 /nfs/dbraw/zinc/55/10/41/184551041.db2.gz RMOPVTFTLZRVFY-ZDUSSCGKSA-N 2 0 257.422 1.742 10 0 CDAERP CC(C)[NH2+][C@](C)(CO)CCC[N@@H+]1CCOC[C@@H]1C ZINC000085240086 184608543 /nfs/dbraw/zinc/60/85/43/184608543.db2.gz VFDUEOPSAPFQBW-KBPBESRZSA-N 2 0 258.406 1.236 10 0 CDAERP CN1CCN(C(=O)[C@H]2CCCC3(CC3)C2)[C@@H](C[NH3+])C1 ZINC000662428136 413007075 /nfs/dbraw/zinc/00/70/75/413007075.db2.gz HKTNRYLTARQFIN-STQMWFEESA-N 2 0 265.401 1.058 10 0 CDAERP CC[C@@H]1CC[C@](C[NH3+])(N(C)CC[NH+]2CCCC2)C1 ZINC000080466684 177655432 /nfs/dbraw/zinc/65/54/32/177655432.db2.gz VKOQAOOOZYTBKS-CABCVRRESA-N 2 0 253.434 1.922 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CC2(O)Cc3ccccc3C2)CC[N@@H+]1C ZINC000363789067 390493127 /nfs/dbraw/zinc/49/31/27/390493127.db2.gz MNTHDERIHSSTMC-CJNGLKHVSA-N 2 0 274.408 1.589 10 0 CDAERP CC(C)(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@]1(O)CCOC1 ZINC000647247604 390638114 /nfs/dbraw/zinc/63/81/14/390638114.db2.gz UHKKHIBKNCRSQM-IIAWOOMASA-N 2 0 282.428 1.380 10 0 CDAERP C[C@@H](CC(N)=O)[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647344189 390943658 /nfs/dbraw/zinc/94/36/58/390943658.db2.gz LITOKADQPUHZPN-CFVMTHIKSA-N 2 0 275.396 1.185 10 0 CDAERP Cc1cnc([C@H](C)N2CC[C@]3(CC[N@H+](C)C3)C2)cn1 ZINC000429006302 390924033 /nfs/dbraw/zinc/92/40/33/390924033.db2.gz NHBMFFVBTYSYOI-ZFWWWQNUSA-N 2 0 260.385 1.874 10 0 CDAERP CCC[C@@H](C(=O)NCC1CC[NH+](C)CC1)[NH+](C)C ZINC000130364772 390926835 /nfs/dbraw/zinc/92/68/35/390926835.db2.gz FFJOLUMPPAWLJP-ZDUSSCGKSA-N 2 0 255.406 1.175 10 0 CDAERP C[C@H]1C[C@@H](C[NH2+]Cc2ccc(CO)c(F)c2)CC[NH2+]1 ZINC000415092559 391014488 /nfs/dbraw/zinc/01/44/88/391014488.db2.gz TUYJVVRJKIIQGJ-AAEUAGOBSA-N 2 0 266.360 1.796 10 0 CDAERP Cn1nnc2cc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)ccc21 ZINC000647480244 390966908 /nfs/dbraw/zinc/96/69/08/390966908.db2.gz HQKQHRNTHCRUKV-GJZGRUSLSA-N 2 0 299.422 1.932 10 0 CDAERP CC(C)C[C@@H]([NH3+])C[NH2+]CCn1cnc2ccccc21 ZINC000415076600 390986487 /nfs/dbraw/zinc/98/64/87/390986487.db2.gz DBFPHLUCGRNVJW-CYBMUJFWSA-N 2 0 260.385 1.999 10 0 CDAERP CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228471213 390989156 /nfs/dbraw/zinc/98/91/56/390989156.db2.gz PSDHSUJFZIWVFV-YNEHKIRRSA-N 2 0 267.417 1.350 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)NC2CCC([NH3+])CC2)CC1 ZINC000417745923 391011937 /nfs/dbraw/zinc/01/19/37/391011937.db2.gz GOXSHTOHUWGCSY-UHFFFAOYSA-N 2 0 296.459 1.678 10 0 CDAERP FC1(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000526979449 391241511 /nfs/dbraw/zinc/24/15/11/391241511.db2.gz AIHXPBZTADGLEK-UHFFFAOYSA-N 3 0 292.402 1.685 10 0 CDAERP CC(C)C[C@@H]([NH3+])CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000414694808 391345761 /nfs/dbraw/zinc/34/57/61/391345761.db2.gz GAGWETJQGVRLRH-HUUCEWRRSA-N 2 0 253.434 1.778 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000647971557 391353700 /nfs/dbraw/zinc/35/37/00/391353700.db2.gz NTRBDADESAUZNX-ILXRZTDVSA-N 2 0 272.433 1.170 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000418351236 391363911 /nfs/dbraw/zinc/36/39/11/391363911.db2.gz RSYFBINXVGKJIW-GJZGRUSLSA-N 2 0 296.459 1.502 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(O)CCSC2)[C@H]2CCC[C@H]21 ZINC000353513931 391394488 /nfs/dbraw/zinc/39/44/88/391394488.db2.gz GCACKIIVNYLBBT-XJFOESAGSA-N 2 0 270.442 1.317 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000417850884 391508775 /nfs/dbraw/zinc/50/87/75/391508775.db2.gz XYRLFSJDLKWPCX-UBHSHLNASA-N 2 0 275.396 1.661 10 0 CDAERP CCC([NH3+])(CC)CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000417804887 391492311 /nfs/dbraw/zinc/49/23/11/391492311.db2.gz ZLIZHVCANULSNA-AGUYFDCRSA-N 2 0 296.459 1.818 10 0 CDAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000126953253 391592546 /nfs/dbraw/zinc/59/25/46/391592546.db2.gz RLZKISMHKWOONU-LSDHHAIUSA-N 2 0 281.444 1.563 10 0 CDAERP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CC(C)(C)[NH3+] ZINC000094446945 391718410 /nfs/dbraw/zinc/71/84/10/391718410.db2.gz XELBCHOTPHOTLP-NWDGAFQWSA-N 2 0 253.390 1.199 10 0 CDAERP C[N@@H+]1CC[C@H](NC[C@@H]2CC[NH2+]C2)[C@H]1c1ccccc1 ZINC000647992539 391699515 /nfs/dbraw/zinc/69/95/15/391699515.db2.gz MZTFOVVMXGDKCM-VNQPRFMTSA-N 2 0 259.397 1.631 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415052504 391744100 /nfs/dbraw/zinc/74/41/00/391744100.db2.gz HXFUHUHUCFWHRR-CXAGYDPISA-N 2 0 299.422 1.992 10 0 CDAERP CC[C@@H]1C[C@@H](C[NH2+]C[C@H]2C[NH2+]CCCO2)CCO1 ZINC000415051570 391726582 /nfs/dbraw/zinc/72/65/82/391726582.db2.gz ZXUYJWUNLBSDIW-BFHYXJOUSA-N 2 0 256.390 1.160 10 0 CDAERP COc1ccccc1OCC[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000532203767 391732807 /nfs/dbraw/zinc/73/28/07/391732807.db2.gz OGJYCYOIONEMOR-QWHCGFSZSA-N 2 0 264.369 1.614 10 0 CDAERP CC[NH+]1CCC([NH2+]CC2(O)Cc3ccccc3C2)CC1 ZINC000532232005 391736382 /nfs/dbraw/zinc/73/63/82/391736382.db2.gz GPRMQWMWUZGIEF-UHFFFAOYSA-N 2 0 274.408 1.590 10 0 CDAERP CC[C@H](C)[NH2+][C@@H](CNC(=O)NCCC[NH3+])c1ccco1 ZINC000418170043 391786489 /nfs/dbraw/zinc/78/64/89/391786489.db2.gz RBWDPORXFYDORI-RYUDHWBXSA-N 2 0 282.388 1.357 10 0 CDAERP CC1CC[NH+](CC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000246343223 391877617 /nfs/dbraw/zinc/87/76/17/391877617.db2.gz IERLMEUDHBSMEY-GJZGRUSLSA-N 2 0 281.444 1.659 10 0 CDAERP C[N@@H+]1CCCC(C)(C)[C@@H]1CN[C@H]1CCC[NH2+]CC1 ZINC000335012623 392007114 /nfs/dbraw/zinc/00/71/14/392007114.db2.gz QTYWRRHTTNFWMN-KBPBESRZSA-N 2 0 253.434 1.839 10 0 CDAERP CC(C)[C@@H](C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[C@H](C)[NH3+] ZINC000649319206 392013343 /nfs/dbraw/zinc/01/33/43/392013343.db2.gz OKRNPMGKBSHPLA-SMDDNHRTSA-N 2 0 287.367 1.825 10 0 CDAERP C[NH+](C)Cc1cc(CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)ccc1F ZINC000649333165 392053568 /nfs/dbraw/zinc/05/35/68/392053568.db2.gz ARMMLNUJCCHSJD-DFBGVHRSSA-N 2 0 291.370 1.254 10 0 CDAERP COC[C@@H](CC1CCOCC1)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000657835662 413051338 /nfs/dbraw/zinc/05/13/38/413051338.db2.gz PXFIGEPLUOULEN-JKSUJKDBSA-N 2 0 296.455 1.892 10 0 CDAERP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCC[C@H]1CCOC1 ZINC000645837950 392238720 /nfs/dbraw/zinc/23/87/20/392238720.db2.gz VUAFEFZFGDOHNZ-HZMVEIRTSA-N 2 0 296.455 1.987 10 0 CDAERP C[N@H+](CCC[C@@H]1CCOC1)CCCN1CC[NH+](C)CC1 ZINC000645842108 392254528 /nfs/dbraw/zinc/25/45/28/392254528.db2.gz NIQKWUNZECIWPC-MRXNPFEDSA-N 2 0 283.460 1.372 10 0 CDAERP C[C@@H](NCC[N@@H+]1CCCC[C@@H]1C)[C@H]1CCCC[NH2+]1 ZINC000422855815 392267433 /nfs/dbraw/zinc/26/74/33/392267433.db2.gz FFZXINMSMVSLJU-RRFJBIMHSA-N 2 0 253.434 1.981 10 0 CDAERP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CC2(C)C)CC[NH2+]CC1 ZINC000423031346 392287149 /nfs/dbraw/zinc/28/71/49/392287149.db2.gz UXWJLXMRTKVIHW-RYUDHWBXSA-N 2 0 268.401 1.696 10 0 CDAERP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cnccc1N ZINC000423044190 392296962 /nfs/dbraw/zinc/29/69/62/392296962.db2.gz QPQBTDXBLQKVLL-LBPRGKRZSA-N 2 0 262.401 1.877 10 0 CDAERP CCOc1ccc([C@@H](C)[NH2+]CCOCC[NH2+]C)cc1 ZINC000629528555 392384628 /nfs/dbraw/zinc/38/46/28/392384628.db2.gz CACOKBUZSZITSQ-CYBMUJFWSA-N 2 0 266.385 1.972 10 0 CDAERP CCO[C@@H](C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)C1CC1 ZINC000629532859 392392080 /nfs/dbraw/zinc/39/20/80/392392080.db2.gz WRJZLVWTONSTLJ-ZNMIVQPWSA-N 2 0 252.402 1.733 10 0 CDAERP C[C@H]([NH2+]CC1(CF)CCOCC1)[C@@H]1CCCC[NH2+]1 ZINC000423158127 392397609 /nfs/dbraw/zinc/39/76/09/392397609.db2.gz WIOLIVNYJMBBQY-STQMWFEESA-N 2 0 258.381 1.873 10 0 CDAERP [NH3+][C@H]1CCCCC[C@@H]1NCCC[NH2+]Cc1cccnc1 ZINC000423181035 392421704 /nfs/dbraw/zinc/42/17/04/392421704.db2.gz CADMUYAESFFIHM-HOTGVXAUSA-N 2 0 276.428 1.811 10 0 CDAERP C(C[NH2+][C@@H]1CC[C@@H]1C1CCC1)CN1CC[NH2+]CC1 ZINC000423184233 392422849 /nfs/dbraw/zinc/42/28/49/392422849.db2.gz LXHLGHCJNBAAOK-HUUCEWRRSA-N 2 0 251.418 1.450 10 0 CDAERP C[C@H]1C[N@H+](C)C[C@H]1NCCC[NH2+]Cc1cccnc1 ZINC000423185602 392425426 /nfs/dbraw/zinc/42/54/26/392425426.db2.gz JTKLPEHMSAGSSK-DZGCQCFKSA-N 2 0 262.401 1.101 10 0 CDAERP C[C@@H]1C[C@H](NC[C@H]([NH3+])c2ccccc2)C[N@@H+]1C1CC1 ZINC000423237004 392461732 /nfs/dbraw/zinc/46/17/32/392461732.db2.gz HUAKSABYVPSYIA-INWMFGNUSA-N 2 0 259.397 1.901 10 0 CDAERP C([NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)[C@@H]1C[C@H]1C1CC1 ZINC000423167040 392406171 /nfs/dbraw/zinc/40/61/71/392406171.db2.gz RUMSPGSGMSQBEE-UVPYHEFZSA-N 2 0 264.413 1.779 10 0 CDAERP C([NH2+][C@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)[C@@H]1C[C@H]1C1CC1 ZINC000423167038 392406354 /nfs/dbraw/zinc/40/63/54/392406354.db2.gz RUMSPGSGMSQBEE-QMHWVQJVSA-N 2 0 264.413 1.779 10 0 CDAERP C[C@@H](C[NH3+])N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000423360979 392542045 /nfs/dbraw/zinc/54/20/45/392542045.db2.gz GJFGAFBFOMUGNW-IJEWVQPXSA-N 2 0 261.413 1.834 10 0 CDAERP C[C@H](Cc1ccoc1)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000449134785 392665109 /nfs/dbraw/zinc/66/51/09/392665109.db2.gz LJRBPFJUPFFTCV-KGLIPLIRSA-N 2 0 265.401 1.436 10 0 CDAERP CC[N@H+](C)C[C@H](O)CN1CCC[C@@H](C(F)(F)F)C1 ZINC000310932009 392849846 /nfs/dbraw/zinc/84/98/46/392849846.db2.gz UXHCLCHNJTZLHB-MNOVXSKESA-N 2 0 268.323 1.573 10 0 CDAERP O[C@H](C[NH2+]C1CC(CF)(CF)C1)C[NH+]1CCCC1 ZINC000657843522 413056125 /nfs/dbraw/zinc/05/61/25/413056125.db2.gz DEDSKWJATFHXFK-GFCCVEGCSA-N 2 0 262.344 1.121 10 0 CDAERP C[C@H](C[NH2+][C@H]1CCC(=O)NC1(C)C)N1CCC[C@@H](C)C1 ZINC000494889506 393122363 /nfs/dbraw/zinc/12/23/63/393122363.db2.gz LAQWOXANBQAEGC-MCIONIFRSA-N 2 0 281.444 1.754 10 0 CDAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000494957296 393138260 /nfs/dbraw/zinc/13/82/60/393138260.db2.gz JTYUURGFQIWLLQ-LJISPDSOSA-N 2 0 253.434 1.647 10 0 CDAERP CCn1nccc1C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000459664205 393289796 /nfs/dbraw/zinc/28/97/96/393289796.db2.gz ZPAACERBTWPWTD-UHFFFAOYSA-N 2 0 255.325 1.841 10 0 CDAERP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NCC[NH+]1CCCC1 ZINC000649280467 393313164 /nfs/dbraw/zinc/31/31/64/393313164.db2.gz XXEHSHXZZVCAFI-UONOGXRCSA-N 2 0 267.417 1.496 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCNC(C)(C)C[NH+]1CCCC1 ZINC000452100411 393459524 /nfs/dbraw/zinc/45/95/24/393459524.db2.gz ZVHJNKAGCWFSAY-CQSZACIVSA-N 2 0 253.434 1.935 10 0 CDAERP CC1(CNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC[NH2+]CC1 ZINC000183309499 140026902 /nfs/dbraw/zinc/02/69/02/140026902.db2.gz LWSOEXIUBXKVIY-KGLIPLIRSA-N 2 0 281.444 1.790 10 0 CDAERP COC(=O)[C@@H](C)C[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000230021847 140206181 /nfs/dbraw/zinc/20/61/81/140206181.db2.gz RNXVOHUHRLPLFF-ZDUSSCGKSA-N 2 0 264.369 1.647 10 0 CDAERP Cc1ccc([C@@H]([NH3+])C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000230800457 140213771 /nfs/dbraw/zinc/21/37/71/140213771.db2.gz LMRCMXAQGSQGGN-ZIAGYGMSSA-N 2 0 261.369 1.157 10 0 CDAERP [NH3+][C@@H]1CC[C@H]2CN(C(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]12 ZINC000248621311 140293140 /nfs/dbraw/zinc/29/31/40/140293140.db2.gz MZLJEZNFNCKBAV-CDWCZWMBSA-N 2 0 277.412 1.103 10 0 CDAERP CCN1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000250365946 140302807 /nfs/dbraw/zinc/30/28/07/140302807.db2.gz UVGUFBZAHJHWRD-ZJIFWQFVSA-N 2 0 265.445 1.981 10 0 CDAERP [NH2+]=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)NC1CCCCC1 ZINC000252668395 140322139 /nfs/dbraw/zinc/32/21/39/140322139.db2.gz WGLHXXYITMZIJF-KBPBESRZSA-N 2 0 280.416 1.296 10 0 CDAERP [NH3+]Cc1ccc(-c2noc(C[C@@H]3CSCC[NH2+]3)n2)cc1 ZINC000261690700 140375817 /nfs/dbraw/zinc/37/58/17/140375817.db2.gz AWFQBNRWJFHAKK-GFCCVEGCSA-N 2 0 290.392 1.443 10 0 CDAERP C[C@@]1(C[NH+]2CCC(OCC3CC3)CC2)CC[NH2+]C1 ZINC000261732921 140382312 /nfs/dbraw/zinc/38/23/12/140382312.db2.gz HJJSQYNTRJFYSM-OAHLLOKOSA-N 2 0 252.402 1.877 10 0 CDAERP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261775008 140387340 /nfs/dbraw/zinc/38/73/40/140387340.db2.gz OQBGVLPPJDXDIP-MGPQQGTHSA-N 2 0 267.417 1.162 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000261819726 140394575 /nfs/dbraw/zinc/39/45/75/140394575.db2.gz HUZVYAJPZVGROK-KBPBESRZSA-N 2 0 267.417 1.367 10 0 CDAERP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCC1([NH3+])CCCCCC1 ZINC000334936475 140592648 /nfs/dbraw/zinc/59/26/48/140592648.db2.gz QEPNGBPBTFPSFX-ZIAGYGMSSA-N 2 0 296.459 1.949 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000662576368 413145294 /nfs/dbraw/zinc/14/52/94/413145294.db2.gz ZRHKFNDBLLTCPV-VNHYZAJKSA-N 2 0 269.433 1.441 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662593106 413162637 /nfs/dbraw/zinc/16/26/37/413162637.db2.gz LKGJWWMLLPWYGZ-QWHCGFSZSA-N 2 0 269.433 1.596 10 0 CDAERP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662595221 413165121 /nfs/dbraw/zinc/16/51/21/413165121.db2.gz YOBYGNMIMTXRKS-YNEHKIRRSA-N 2 0 269.433 1.596 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(Cn2cnnc2)CC1 ZINC000649785528 397955409 /nfs/dbraw/zinc/95/54/09/397955409.db2.gz JEQUMVFBTVHHNV-OAHLLOKOSA-N 2 0 277.416 1.474 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1CCC[C@H]1C[NH3+])Cc1ccccc1 ZINC000386735647 398079216 /nfs/dbraw/zinc/07/92/16/398079216.db2.gz CECQALDOHBDXFP-HOTGVXAUSA-N 2 0 289.423 1.610 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC1CC[NH2+]CC1 ZINC000094459898 297092823 /nfs/dbraw/zinc/09/28/23/297092823.db2.gz YLGCVAIJUDHYOF-TZMCWYRMSA-N 2 0 265.401 1.071 10 0 CDAERP CCN1CCC([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)CC1 ZINC000658109616 413210931 /nfs/dbraw/zinc/21/09/31/413210931.db2.gz TXEIKPIGOHWHET-HNNXBMFYSA-N 2 0 284.492 1.332 10 0 CDAERP [NH3+][C@H]1CCC[C@H](C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000178707573 148077941 /nfs/dbraw/zinc/07/79/41/148077941.db2.gz WAQZMIVPLPVRRY-KBPBESRZSA-N 2 0 279.428 1.495 10 0 CDAERP CC[C@H](COC)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658135738 413225796 /nfs/dbraw/zinc/22/57/96/413225796.db2.gz AQPRTNCQJSRIJL-IAGOWNOFSA-N 2 0 292.423 1.768 10 0 CDAERP Cc1[nH]nc2ncc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)cc12 ZINC000262095407 149016728 /nfs/dbraw/zinc/01/67/28/149016728.db2.gz VBZTUBSEFJXLAN-UHFFFAOYSA-N 2 0 285.395 1.842 10 0 CDAERP CC[C@@H]1CN(C(=O)CCCCCC[NH3+])CC[N@@H+]1CCOC ZINC000262671113 149093322 /nfs/dbraw/zinc/09/33/22/149093322.db2.gz OIRAHBJACMDAEV-OAHLLOKOSA-N 2 0 299.459 1.465 10 0 CDAERP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H](C)CN3CC[NH+](C)CC3)C[C@H]2C1 ZINC000424290582 286113805 /nfs/dbraw/zinc/11/38/05/286113805.db2.gz BDTAGXRRZFHPQQ-ZOFXXKQRSA-N 2 0 295.471 1.416 10 0 CDAERP CO[C@H]1C[C@H]2C[C@H]([NH2+]CCCN3CC[NH+](C)CC3)C[C@H]2C1 ZINC000424258406 286114785 /nfs/dbraw/zinc/11/47/85/286114785.db2.gz LXPVGIZTTMKYAR-GANOOXTDSA-N 2 0 295.471 1.417 10 0 CDAERP CN(C(=O)C1CC[NH+](C2CC2)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC000336105745 151272791 /nfs/dbraw/zinc/27/27/91/151272791.db2.gz SHGPTMQXXRNTDA-MRXNPFEDSA-N 2 0 291.439 1.413 10 0 CDAERP C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000343872381 152334188 /nfs/dbraw/zinc/33/41/88/152334188.db2.gz SPABYSUUSFMNQU-HOCLYGCPSA-N 3 0 291.439 1.667 10 0 CDAERP CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000654428694 413274413 /nfs/dbraw/zinc/27/44/13/413274413.db2.gz IWVGVNKTRZZWQT-KFWWJZLASA-N 2 0 296.459 1.358 10 0 CDAERP C[C@H](NC(=O)[C@H]1CCC[C@H]([NH3+])C1)C(C)(C)C[NH+](C)C ZINC000262234543 289395799 /nfs/dbraw/zinc/39/57/99/289395799.db2.gz ADNBLWXWFPYVBY-AVGNSLFASA-N 2 0 269.433 1.596 10 0 CDAERP C[N@@H+]1CCC[C@]2(CC[NH+](CC3(O)CCSCC3)C2)C1 ZINC000660641801 413320190 /nfs/dbraw/zinc/32/01/90/413320190.db2.gz JVQOOUHVJTUIOQ-AWEZNQCLSA-N 2 0 284.469 1.662 10 0 CDAERP [NH3+][C@H](c1cn([C@H]2CCC[NH2+]C2)nn1)c1ccc(Cl)cc1 ZINC000656468148 413326272 /nfs/dbraw/zinc/32/62/72/413326272.db2.gz VDUZIODPZVEKKR-JSGCOSHPSA-N 2 0 291.786 1.904 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662728854 413391777 /nfs/dbraw/zinc/39/17/77/413391777.db2.gz HHWAWKAOBVZRFT-AWEZNQCLSA-N 2 0 293.455 1.755 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH+](C)C)CC1 ZINC000362500254 159161765 /nfs/dbraw/zinc/16/17/65/159161765.db2.gz TWJMPPFBFROGBB-OAHLLOKOSA-N 2 0 281.444 1.659 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000362824821 159246138 /nfs/dbraw/zinc/24/61/38/159246138.db2.gz FEWAEYQFZZLMLU-GDBMZVCRSA-N 2 0 295.471 1.907 10 0 CDAERP [NH3+]C1(CC(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000662757733 413441356 /nfs/dbraw/zinc/44/13/56/413441356.db2.gz LXESAUZFPZNJCR-UHFFFAOYSA-N 2 0 288.395 1.044 10 0 CDAERP C[C@@H](NCCC[NH+]1CCC(C)CC1)[C@@H]1CC[NH2+]C1 ZINC000400411687 287024130 /nfs/dbraw/zinc/02/41/30/287024130.db2.gz UIKGBHOAMDSIDR-HUUCEWRRSA-N 2 0 253.434 1.696 10 0 CDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H]2CCCCO2)CC1 ZINC000069918488 287086071 /nfs/dbraw/zinc/08/60/71/287086071.db2.gz CIABAOWNNOOJIL-ZBFHGGJFSA-N 2 0 284.444 1.580 10 0 CDAERP COc1ccccc1[C@@H](C[NH3+])N1CC[NH+](CC2CC2)CC1 ZINC000020179562 171044195 /nfs/dbraw/zinc/04/41/95/171044195.db2.gz ABAASFUXRWRFMW-MRXNPFEDSA-N 2 0 289.423 1.723 10 0 CDAERP COc1ccccc1[C@H](C[NH3+])N1CC[NH+](CC(C)C)CC1 ZINC000020179560 171044257 /nfs/dbraw/zinc/04/42/57/171044257.db2.gz XGWVYJWZMHTHRM-INIZCTEOSA-N 2 0 291.439 1.969 10 0 CDAERP CC[NH+]1CCN([C@@H]2CCc3ccccc3[C@H]2[NH3+])CC1 ZINC000020260056 171115968 /nfs/dbraw/zinc/11/59/68/171115968.db2.gz JGUWWGISIWAEJN-HZPDHXFCSA-N 2 0 259.397 1.639 10 0 CDAERP CC(C)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+](C)C ZINC000020524017 171236478 /nfs/dbraw/zinc/23/64/78/171236478.db2.gz OXZREBNHMHAJQJ-JALIKCBVSA-N 2 0 253.434 1.787 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(C[NH3+])c1 ZINC000022154046 171361200 /nfs/dbraw/zinc/36/12/00/171361200.db2.gz XPVLHUCIFKOOBY-LBPRGKRZSA-N 2 0 261.369 1.958 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000653176329 412116127 /nfs/dbraw/zinc/11/61/27/412116127.db2.gz QQLPEYKVMIJMJI-HNNXBMFYSA-N 2 0 269.433 1.470 10 0 CDAERP CCC(CC)(C[NH3+])C(=O)NCc1ccccc1C[NH2+]C ZINC000653214130 412142591 /nfs/dbraw/zinc/14/25/91/412142591.db2.gz HYFFOPWZLIUJPD-UHFFFAOYSA-N 2 0 277.412 1.787 10 0 CDAERP CC[NH+](CC)CC(=O)N1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000653240005 412159340 /nfs/dbraw/zinc/15/93/40/412159340.db2.gz IPPPRBHMEBTFEG-STQMWFEESA-N 2 0 255.406 1.304 10 0 CDAERP CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000654659775 413549663 /nfs/dbraw/zinc/54/96/63/413549663.db2.gz KFKYLRDKUBEHQH-KFWWJZLASA-N 2 0 296.459 1.499 10 0 CDAERP C[C@]1(CNc2ccc([C@@H]3C[NH2+]CCO3)cc2)CC[NH2+]C1 ZINC000656794341 413660349 /nfs/dbraw/zinc/66/03/49/413660349.db2.gz ZARUZZJKJTXGNG-HOTGVXAUSA-N 2 0 275.396 1.759 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)C2([NH3+])CC3(CCC3)C2)cc1 ZINC000659293297 413687836 /nfs/dbraw/zinc/68/78/36/413687836.db2.gz UZTUMEDNEHGDGC-LBPRGKRZSA-N 2 0 287.407 1.984 10 0 CDAERP [NH3+]CC12CC(C1)CN2C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000659487036 413878471 /nfs/dbraw/zinc/87/84/71/413878471.db2.gz ODXQGYPFLIAVIW-UGWHAMFMSA-N 2 0 292.427 1.136 10 0 CDAERP [NH3+]C1(CNC(=O)NC2CC([NH+]3CCCCC3)C2)CCCC1 ZINC000659490310 413880501 /nfs/dbraw/zinc/88/05/01/413880501.db2.gz RZSKKFAQBSNPOZ-UHFFFAOYSA-N 2 0 294.443 1.574 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659453537 413838836 /nfs/dbraw/zinc/83/88/36/413838836.db2.gz MPRPRALQYABYKO-UONOGXRCSA-N 2 0 284.448 1.533 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CCN(c3ccccn3)C2)C1 ZINC000654951155 413839321 /nfs/dbraw/zinc/83/93/21/413839321.db2.gz LQMWXPXQVSEHTC-KBPBESRZSA-N 2 0 288.395 1.118 10 0 CDAERP COC1CC(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000665230976 413956940 /nfs/dbraw/zinc/95/69/40/413956940.db2.gz ZPMSTTSDPXQXSQ-PEGGXJLSSA-N 2 0 252.402 1.779 10 0 CDAERP C[C@H]([NH2+]CCc1ccnc2ccccc12)C1C[NH2+]C1 ZINC000665238721 413969455 /nfs/dbraw/zinc/96/94/55/413969455.db2.gz BJVPPUYRRKIBSW-LBPRGKRZSA-N 2 0 255.365 1.975 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N(C)CC(C)(C)[NH3+] ZINC000659560568 413971838 /nfs/dbraw/zinc/97/18/38/413971838.db2.gz OFZFNTJXVSUIBD-UHFFFAOYSA-N 2 0 278.400 1.285 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1COc2cc(F)ccc2C1 ZINC000665267517 413999654 /nfs/dbraw/zinc/99/96/54/413999654.db2.gz YGIAZJXWMFXISD-UONOGXRCSA-N 2 0 282.359 1.473 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCC2(C)C)CC1 ZINC000665289315 414025694 /nfs/dbraw/zinc/02/56/94/414025694.db2.gz LHPXFLJVCUMKCU-CQSZACIVSA-N 2 0 281.444 1.755 10 0 CDAERP C[NH2+]C[C@@H](C)NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000659637400 414050120 /nfs/dbraw/zinc/05/01/20/414050120.db2.gz FJYGYOCNOJCOPW-CYBMUJFWSA-N 2 0 282.432 1.112 10 0 CDAERP CC[C@H]1C[C@H]([NH2+]CCCC[NH+]2CCOCC2)CO1 ZINC000657312236 414154092 /nfs/dbraw/zinc/15/40/92/414154092.db2.gz GHHGEZBRYDKRNT-KBPBESRZSA-N 2 0 256.390 1.256 10 0 CDAERP Cn1ncc(C(F)(F)F)c1C[NH2+]CC1CC[NH+](C)CC1 ZINC000657349234 414212766 /nfs/dbraw/zinc/21/27/66/414212766.db2.gz OOZQEQSATVPUSS-UHFFFAOYSA-N 2 0 290.333 1.870 10 0 CDAERP CC[C@@H]1C[C@H]([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)CO1 ZINC000657419582 414311821 /nfs/dbraw/zinc/31/18/21/414311821.db2.gz NPFKPWSATVWSAD-ZNMIVQPWSA-N 2 0 299.459 1.236 10 0 CDAERP C[C@H](CC(C)(C)O)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657478822 414374924 /nfs/dbraw/zinc/37/49/24/414374924.db2.gz FZNYYMUBIJPTET-GFCCVEGCSA-N 2 0 274.368 1.906 10 0 CDAERP OC[C@H]1CCC[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657494580 414392170 /nfs/dbraw/zinc/39/21/70/414392170.db2.gz CRGVISLXLQXRGB-UONOGXRCSA-N 2 0 286.379 1.908 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)CC[NH2+]1 ZINC000663514370 414321491 /nfs/dbraw/zinc/32/14/91/414321491.db2.gz QCNVEJDUSTYTKT-BZUAXINKSA-N 3 0 283.460 1.417 10 0 CDAERP CC1(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)COC1 ZINC000657537174 414422269 /nfs/dbraw/zinc/42/22/69/414422269.db2.gz AZRXHUNVNLRSCF-UHFFFAOYSA-N 2 0 282.428 1.504 10 0 CDAERP O[C@H]1CC[N@@H+](C2CC[NH+](CCC[C@H]3CCOC3)CC2)C1 ZINC000662149356 414537102 /nfs/dbraw/zinc/53/71/02/414537102.db2.gz NMHGNJBQKRCUPJ-HOCLYGCPSA-N 2 0 282.428 1.334 10 0 CDAERP CCO[C@@H]1C[N@H+](C[C@@H](OC)C2CCCC2)C[C@H]1C[NH3+] ZINC000662286584 414616151 /nfs/dbraw/zinc/61/61/51/414616151.db2.gz QWVNQSNKASMYFF-RBSFLKMASA-N 2 0 270.417 1.487 10 0 CDAERP [NH3+][C@H](C(=O)N1CCC([NH+]2CCCC2)CC1)c1ccccc1 ZINC000038101733 174117680 /nfs/dbraw/zinc/11/76/80/174117680.db2.gz PCXGDRSSHZDMSU-INIZCTEOSA-N 2 0 287.407 1.773 10 0 CDAERP CC[NH+]1CCC([C@H](C)[NH2+]CCc2nccn2C)CC1 ZINC000040639029 174363223 /nfs/dbraw/zinc/36/32/23/174363223.db2.gz GODFGCGOKLHHTM-ZDUSSCGKSA-N 2 0 264.417 1.673 10 0 CDAERP CC[NH+]1CCC([C@H](C)[NH2+][C@@H]2CCCN(C)C2)CC1 ZINC000040672696 174370325 /nfs/dbraw/zinc/37/03/25/174370325.db2.gz UWQSEVUWECTCJE-DZGCQCFKSA-N 2 0 253.434 1.791 10 0 CDAERP c1coc([C@H](CN[C@@H]2CCC[NH2+]C2)[NH+]2CCCC2)c1 ZINC000043324572 175006970 /nfs/dbraw/zinc/00/69/70/175006970.db2.gz MLVVTZKKQUABAR-KGLIPLIRSA-N 2 0 263.385 1.758 10 0 CDAERP O=C(CC[C@@H]1CCC[NH2+]C1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000043589229 175073201 /nfs/dbraw/zinc/07/32/01/175073201.db2.gz BEIOJUSUNHLJJK-LSDHHAIUSA-N 2 0 279.428 1.463 10 0 CDAERP CC(C)[NH+]1CCN(C[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000043596083 175076447 /nfs/dbraw/zinc/07/64/47/175076447.db2.gz DCXFDQOGJDDXTA-QGZVFWFLSA-N 2 0 273.424 1.899 10 0 CDAERP C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccc(OC)cc1OC ZINC000043810361 175109886 /nfs/dbraw/zinc/10/98/86/175109886.db2.gz NFGLTUGEUZGPGC-HNNXBMFYSA-N 2 0 293.411 1.212 10 0 CDAERP C[NH2+][C@@H](CN1CCC[N@H+](C)CC1)c1cccc(OC)c1 ZINC000043818122 175113164 /nfs/dbraw/zinc/11/31/64/175113164.db2.gz OPWFOAAWUOGSMN-INIZCTEOSA-N 2 0 277.412 1.593 10 0 CDAERP C[NH2+][C@@H]1c2ccccc2C[C@H]1N1CCC([NH+](C)C)CC1 ZINC000043897295 175119907 /nfs/dbraw/zinc/11/99/07/175119907.db2.gz JXJOPTVRCYIMAL-IAGOWNOFSA-N 2 0 273.424 1.898 10 0 CDAERP C[NH2+][C@H](CN1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000043897231 175120024 /nfs/dbraw/zinc/12/00/24/175120024.db2.gz WSKQBLOKNFXTRL-MRXNPFEDSA-N 2 0 261.413 1.973 10 0 CDAERP C[NH2+][C@H]1CCCC[C@H]1N(CCOC)[C@@H](C)COC ZINC000043975676 175132725 /nfs/dbraw/zinc/13/27/25/175132725.db2.gz RUBPMJJPZFVSSB-MELADBBJSA-N 2 0 258.406 1.500 10 0 CDAERP CCC[NH+]1CCN([C@H](c2cnn(C)c2)[C@@H]([NH3+])CC)CC1 ZINC000044418523 175173396 /nfs/dbraw/zinc/17/33/96/175173396.db2.gz URZZOJBAGRHIFM-LSDHHAIUSA-N 2 0 279.432 1.226 10 0 CDAERP COc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000044531149 175196487 /nfs/dbraw/zinc/19/64/87/175196487.db2.gz PBNXCBIPJHQKGF-ZDUSSCGKSA-N 2 0 291.395 1.695 10 0 CDAERP CCC[NH2+]CC(=O)N(C)C1CC[NH+](CCC)CC1 ZINC000044650803 175225050 /nfs/dbraw/zinc/22/50/50/175225050.db2.gz BXJUUGDRYYBRTG-UHFFFAOYSA-N 2 0 255.406 1.319 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@@H](C[NH3+])Cc2ccccc2)CC1 ZINC000044802181 175255450 /nfs/dbraw/zinc/25/54/50/175255450.db2.gz SJBIZPUXQSJASR-OAHLLOKOSA-N 2 0 289.423 1.357 10 0 CDAERP CCC[C@@H](C[NH3+])C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000044806957 175256730 /nfs/dbraw/zinc/25/67/30/175256730.db2.gz BSQGEQFVLNVVQU-ZDUSSCGKSA-N 2 0 255.406 1.162 10 0 CDAERP CCC[NH2+][C@](C)(CCC[N@H+](CCC)C1CC1)C(N)=O ZINC000045387636 175373567 /nfs/dbraw/zinc/37/35/67/175373567.db2.gz LYQFJOZYTZCXDE-OAHLLOKOSA-N 2 0 269.433 1.885 10 0 CDAERP CC(C)[NH2+][C@@](C)(CCCC[N@H+](C)CC1CC1)C(N)=O ZINC000045419931 175377724 /nfs/dbraw/zinc/37/77/24/175377724.db2.gz VNCKBWVLEAIJNR-HNNXBMFYSA-N 2 0 269.433 1.741 10 0 CDAERP CC(C)[NH2+][C@@](C)(CCC[N@H+](C)CC1CC1)C(N)=O ZINC000045419977 175377762 /nfs/dbraw/zinc/37/77/62/175377762.db2.gz HHXZPCHAIMPXNO-AWEZNQCLSA-N 2 0 255.406 1.350 10 0 CDAERP CC[N@H+](CCC[C@@](C)([NH3+])C(=O)OC)C[C@@H]1CCCO1 ZINC000045421648 175379903 /nfs/dbraw/zinc/37/99/03/175379903.db2.gz DZOFGVAXHNGKBI-GXTWGEPZSA-N 2 0 272.389 1.158 10 0 CDAERP CC[N@H+](CCCC[C@](C)([NH2+]C1CC1)C(N)=O)[C@@H](C)COC ZINC000045421123 175379953 /nfs/dbraw/zinc/37/99/53/175379953.db2.gz UNYIDSVDXLOJRO-BBRMVZONSA-N 2 0 299.459 1.510 10 0 CDAERP CCC[NH2+][C@H]1CCCN([C@@H]2CCC[N@H+](C)C2)C1=O ZINC000071031092 176022492 /nfs/dbraw/zinc/02/24/92/176022492.db2.gz NIFMYHFSDWMYOR-OLZOCXBDSA-N 2 0 253.390 1.071 10 0 CDAERP CC[NH2+][C@H]1CCCN([C@@H](CC(C)C)C[NH+](C)C)C1=O ZINC000071032008 176023095 /nfs/dbraw/zinc/02/30/95/176023095.db2.gz MMDVBEIWIHXESX-KBPBESRZSA-N 2 0 269.433 1.563 10 0 CDAERP CCC[NH2+][C@H]1CCCN(C[C@@H]2CCC[N@H+](C)C2)C1=O ZINC000071032340 176023476 /nfs/dbraw/zinc/02/34/76/176023476.db2.gz ZJGGWWKGJMTKLI-KGLIPLIRSA-N 2 0 267.417 1.319 10 0 CDAERP CCC[NH2+][C@@H]1CCCN(C[C@@H]2CCC[N@@H+]2CC)C1=O ZINC000071032763 176023774 /nfs/dbraw/zinc/02/37/74/176023774.db2.gz LKYAJTFEZMNEEL-UONOGXRCSA-N 2 0 267.417 1.461 10 0 CDAERP CC(C)[NH2+][C@@H]1CCCN(C[C@H]2CC[N@@H+](C(C)C)C2)C1=O ZINC000071035260 176024952 /nfs/dbraw/zinc/02/49/52/176024952.db2.gz LXKCLKVKCAGNLR-LSDHHAIUSA-N 2 0 281.444 1.706 10 0 CDAERP CC(C)[NH2+][C@H]1CCN(CC[NH+](C(C)C)C(C)C)C1=O ZINC000071036151 176025653 /nfs/dbraw/zinc/02/56/53/176025653.db2.gz IGUBIFHSWDXTCM-AWEZNQCLSA-N 2 0 269.433 1.704 10 0 CDAERP CCC[NH2+][C@@H]1CCCN(CC[NH+]2CCCC2)C1=O ZINC000071042508 176028728 /nfs/dbraw/zinc/02/87/28/176028728.db2.gz ZJYOBTWWUWMGOZ-CYBMUJFWSA-N 2 0 253.390 1.073 10 0 CDAERP CC[NH2+][C@@H]1CCCN(CC[N@H+](C)C2CCCC2)C1=O ZINC000071043713 176029828 /nfs/dbraw/zinc/02/98/28/176029828.db2.gz JSANCLRWZVLYHF-CQSZACIVSA-N 2 0 267.417 1.461 10 0 CDAERP CC(C)Oc1cncc(N2CCC[N@H+](CCC[NH3+])CC2)n1 ZINC000071175778 176054638 /nfs/dbraw/zinc/05/46/38/176054638.db2.gz MLYNYQITHPYZKR-UHFFFAOYSA-N 2 0 293.415 1.125 10 0 CDAERP Cc1cccc([C@@H](C[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000071187872 176061620 /nfs/dbraw/zinc/06/16/20/176061620.db2.gz ZHHWIHZPOWYKQC-GDBMZVCRSA-N 2 0 261.413 1.878 10 0 CDAERP CN(Cc1ccc(C[NH3+])cc1F)C[C@H]1CC[N@H+](C)C1 ZINC000071188296 176062660 /nfs/dbraw/zinc/06/26/60/176062660.db2.gz SARPBQDOQMGXFZ-ZDUSSCGKSA-N 2 0 265.376 1.668 10 0 CDAERP Cc1ccc([C@@H](C[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)o1 ZINC000071188108 176062672 /nfs/dbraw/zinc/06/26/72/176062672.db2.gz RNWFORHLGYETCX-CHWSQXEVSA-N 2 0 251.374 1.471 10 0 CDAERP CN(C[C@H]1CC[N@H+](C)C1)C1(C[NH3+])CCCCCC1 ZINC000071188600 176063475 /nfs/dbraw/zinc/06/34/75/176063475.db2.gz SCHAQBBPGOXXJP-AWEZNQCLSA-N 2 0 253.434 1.922 10 0 CDAERP COc1cccc([C@@H]([NH3+])CN(C)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000071188727 176063578 /nfs/dbraw/zinc/06/35/78/176063578.db2.gz WZFJBXQUZUNZTB-CJNGLKHVSA-N 2 0 277.412 1.579 10 0 CDAERP CCC[C@](C)(C[NH2+]C)CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191419 176069236 /nfs/dbraw/zinc/06/92/36/176069236.db2.gz YCAURLCDJFUAKX-HUUCEWRRSA-N 2 0 255.450 1.896 10 0 CDAERP CN(C[C@H]1CC[N@H+](C)C1)C[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000071191374 176069959 /nfs/dbraw/zinc/06/99/59/176069959.db2.gz FWVMUFFVGALCBO-KKUMJFAQSA-N 2 0 253.434 1.778 10 0 CDAERP CC(C)[NH2+]C[C@H](C(C)C)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191966 176071284 /nfs/dbraw/zinc/07/12/84/176071284.db2.gz GBDQUJBKSFLZFR-HUUCEWRRSA-N 2 0 255.450 1.893 10 0 CDAERP C[C@@H]([NH2+]CCN(C)C[C@@H]1CC[N@H+](C)C1)[C@@H]1CCCO1 ZINC000071192385 176073659 /nfs/dbraw/zinc/07/36/59/176073659.db2.gz KZSXQCNIGDDQIA-KFWWJZLASA-N 2 0 269.433 1.027 10 0 CDAERP CCC[NH2+][C@@H]1CCCN(CC[N@H+](C)CCOC)C1 ZINC000071199646 176077302 /nfs/dbraw/zinc/07/73/02/176077302.db2.gz BJVYTNZDYUAGNT-CQSZACIVSA-N 2 0 257.422 1.029 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CN2CCC[C@H]([NH2+]C3CC3)C2)C1 ZINC000071200523 176077682 /nfs/dbraw/zinc/07/76/82/176077682.db2.gz XKMVOSWBUKAEQH-ZBFHGGJFSA-N 2 0 265.445 1.933 10 0 CDAERP CCCN([C@@H]1CC[NH2+]C1)C1CC[NH+](C(C)C)CC1 ZINC000071314677 176121324 /nfs/dbraw/zinc/12/13/24/176121324.db2.gz RRKMGJTYQYSOPS-OAHLLOKOSA-N 2 0 253.434 1.933 10 0 CDAERP CC(C)(O)C[NH+]1CCN([C@@H](C[NH3+])c2ccccc2F)CC1 ZINC000071380182 176144094 /nfs/dbraw/zinc/14/40/94/176144094.db2.gz JRDIYFUNWWXFFD-HNNXBMFYSA-N 2 0 295.402 1.214 10 0 CDAERP CC[C@@](C)(C[NH2+]C(C)C)CN1CC[NH+](CC(C)(C)O)CC1 ZINC000071381727 176145443 /nfs/dbraw/zinc/14/54/43/176145443.db2.gz VSJBRIZZXKLDGA-KRWDZBQOSA-N 2 0 299.503 1.789 10 0 CDAERP CC(C)(C)[C@H]([NH3+])CCN1CC[NH+](CC(C)(C)O)CC1 ZINC000071381830 176145503 /nfs/dbraw/zinc/14/55/03/176145503.db2.gz RDXRFHJOTATSEK-CYBMUJFWSA-N 2 0 271.449 1.138 10 0 CDAERP CC(C)C[C@@H](CNC(=O)CC[C@@H](C)CC[NH3+])[NH+](C)C ZINC000079119413 177437301 /nfs/dbraw/zinc/43/73/01/177437301.db2.gz XLOIRUFUPLVUOC-KGLIPLIRSA-N 2 0 271.449 1.844 10 0 CDAERP COC[C@@H]([NH2+]CCCn1ccnc1)C1CCOCC1 ZINC000187676886 263266542 /nfs/dbraw/zinc/26/65/42/263266542.db2.gz ZYPKEDPGLSXDIR-CQSZACIVSA-N 2 0 267.373 1.304 10 0 CDAERP COCC[C@H]1CCCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662283143 423888729 /nfs/dbraw/zinc/88/87/29/423888729.db2.gz RERNECVIAAFWTJ-HUUCEWRRSA-N 2 0 282.428 1.646 10 0 CDAERP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@@](C)(C(F)F)C2)CC[NH2+]1 ZINC000663513044 423903907 /nfs/dbraw/zinc/90/39/07/423903907.db2.gz ICXXEFUYYRFJKK-NTZNESFSSA-N 2 0 262.344 1.731 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)CC[NH+]1CCCCC1 ZINC000652214659 424067834 /nfs/dbraw/zinc/06/78/34/424067834.db2.gz MQHFOLNDDFOAIV-KGLIPLIRSA-N 2 0 282.432 1.112 10 0 CDAERP CC[NH2+]CCCNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662399174 424039816 /nfs/dbraw/zinc/03/98/16/424039816.db2.gz JBBFOOUIDVCJPP-OAHLLOKOSA-N 2 0 289.423 1.795 10 0 CDAERP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655245257 424051136 /nfs/dbraw/zinc/05/11/36/424051136.db2.gz HBJQZXMDOZRDRU-RWMBFGLXSA-N 2 0 269.433 1.610 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)NCC1CC[NH2+]CC1 ZINC000652202382 424057136 /nfs/dbraw/zinc/05/71/36/424057136.db2.gz IWAKZRYEYCKOMT-UHFFFAOYSA-N 2 0 284.448 1.263 10 0 CDAERP C[C@H]1C[C@@H](N(C)C(=O)NCCC2(C[NH3+])CC2)CC[N@@H+]1C ZINC000652241213 424122589 /nfs/dbraw/zinc/12/25/89/424122589.db2.gz ZTLIVYVWGDZEDN-STQMWFEESA-N 2 0 282.432 1.240 10 0 CDAERP C[C@H](C[NH2+]C[C@@]1(C)CCCS1)CN1CC[NH+](C)CC1 ZINC000628213363 424185556 /nfs/dbraw/zinc/18/55/56/424185556.db2.gz IDYVQKAREBLKNI-HUUCEWRRSA-N 2 0 285.501 1.745 10 0 CDAERP C[NH2+]CCCN(C)C(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662574352 424190964 /nfs/dbraw/zinc/19/09/64/424190964.db2.gz HVZILLYRLIMIDE-OAHLLOKOSA-N 2 0 289.423 1.747 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653109880 424272976 /nfs/dbraw/zinc/27/29/76/424272976.db2.gz PTGSYQCDBANFLY-ZIAGYGMSSA-N 2 0 267.417 1.367 10 0 CDAERP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CCOCC2CC2)C1 ZINC000652362239 424312418 /nfs/dbraw/zinc/31/24/18/424312418.db2.gz ASCUBWMAPACBHF-PMPSAXMXSA-N 2 0 282.428 1.774 10 0 CDAERP CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400974926 424419980 /nfs/dbraw/zinc/41/99/80/424419980.db2.gz RGMFLHRHXUKPJC-ZJIFWQFVSA-N 2 0 267.461 1.940 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)CN1CCC(C)CC1 ZINC000665273281 424485936 /nfs/dbraw/zinc/48/59/36/424485936.db2.gz SWCOQZMBVHCSRB-LSDHHAIUSA-N 2 0 271.449 1.450 10 0 CDAERP C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1cnn(C)c1)[C@@H]1CCC[NH2+]1 ZINC000665273124 424486366 /nfs/dbraw/zinc/48/63/66/424486366.db2.gz QFPMFTLKOTVJSB-TUUVXOQKSA-N 2 0 276.428 1.861 10 0 CDAERP C([NH2+][C@H]1CCC[C@H]([C@H]2CCOC2)C1)C12CC(C1)C[NH2+]2 ZINC000665279354 424487694 /nfs/dbraw/zinc/48/76/94/424487694.db2.gz ASUIRLACHKEMHH-OEMZWJQQSA-N 2 0 264.413 1.923 10 0 CDAERP [NH3+]C[C@@H]1CCCc2ccc(C(=O)NCC[NH2+]C3CC3)cc21 ZINC000659294116 424497415 /nfs/dbraw/zinc/49/74/15/424497415.db2.gz HJHUDCCGURAZAZ-AWEZNQCLSA-N 2 0 287.407 1.547 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000655489430 424506541 /nfs/dbraw/zinc/50/65/41/424506541.db2.gz RLCRCYCPEDYJTO-VNQPRFMTSA-N 2 0 289.423 1.923 10 0 CDAERP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCCSC1 ZINC000186566286 270264042 /nfs/dbraw/zinc/26/40/42/270264042.db2.gz APAXBUNQRCBEAV-KBPBESRZSA-N 2 0 271.474 1.498 10 0 CDAERP C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000392918878 270336482 /nfs/dbraw/zinc/33/64/82/270336482.db2.gz WZQPYAZDMKMGRN-XQQFMLRXSA-N 2 0 253.390 1.118 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCCC[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000521872993 270566388 /nfs/dbraw/zinc/56/63/88/270566388.db2.gz UTUKUAREFVERFM-RWMBFGLXSA-N 2 0 253.390 1.023 10 0 CDAERP CC1(C)CN(C(=O)c2ccc3c(c2)C[NH2+]C3)CC[C@H]1[NH3+] ZINC000335921674 276129132 /nfs/dbraw/zinc/12/91/32/276129132.db2.gz FTBMKBZLRRKJED-CQSZACIVSA-N 2 0 273.380 1.489 10 0 CDAERP CC1=CC[N@H+](CCN[C@H]2CC[NH+]3CCC[C@H]3C2)CC1 ZINC000358253991 276182610 /nfs/dbraw/zinc/18/26/10/276182610.db2.gz PIGVXAIJXBWSDI-HOTGVXAUSA-N 2 0 263.429 1.855 10 0 CDAERP CC(C)C[NH2+]CC[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001668259357 1173388139 /nfs/dbraw/zinc/38/81/39/1173388139.db2.gz WPDDNQFDCRPCCY-AWEZNQCLSA-N 2 0 299.459 1.238 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(O)CCSC2)[C@H]2CCC[C@@H]21 ZINC000353513932 277172493 /nfs/dbraw/zinc/17/24/93/277172493.db2.gz GCACKIIVNYLBBT-ZOBORPQBSA-N 2 0 270.442 1.317 10 0 CDAERP COCC[N@@H+]1CCC[C@@H]1CN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422717637 277222217 /nfs/dbraw/zinc/22/22/17/277222217.db2.gz VVWCQYPPWSUWIC-XOKHGSTOSA-N 2 0 289.423 1.832 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000417856119 277763605 /nfs/dbraw/zinc/76/36/05/277763605.db2.gz RWUSMMOWHCSDJY-RFGFWPKPSA-N 2 0 282.432 1.156 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000414943368 277934195 /nfs/dbraw/zinc/93/41/95/277934195.db2.gz NSMNLHIZBGKRHS-CAEXGNQWSA-N 2 0 251.418 1.495 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000335030688 278220785 /nfs/dbraw/zinc/22/07/85/278220785.db2.gz ODNQXBNQFRFOIW-YMAMQOFZSA-N 2 0 293.455 1.898 10 0 CDAERP C[C@H]1CN(C(=O)Nc2ccc(C[NH3+])cc2)C[C@@H]1[NH+](C)C ZINC000124473185 278404335 /nfs/dbraw/zinc/40/43/35/278404335.db2.gz FWXWZWKSUKNQGR-FZMZJTMJSA-N 2 0 276.384 1.559 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](C)[NH+](C)C2CC2)C1 ZINC000246392383 279294566 /nfs/dbraw/zinc/29/45/66/279294566.db2.gz IQWBQYWNMPHYAQ-QWHCGFSZSA-N 2 0 282.432 1.253 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000367527465 279313549 /nfs/dbraw/zinc/31/35/49/279313549.db2.gz OUZCZJUOBMLQQF-OCCSQVGLSA-N 2 0 277.416 1.013 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CCCN(c2cnn(C)c2)C1 ZINC000422789797 279370861 /nfs/dbraw/zinc/37/08/61/279370861.db2.gz WYWFQENTXXWEMV-XQQFMLRXSA-N 2 0 265.405 1.104 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC000357240951 279396220 /nfs/dbraw/zinc/39/62/20/279396220.db2.gz SNDFNTSYGPUIDL-ZIAGYGMSSA-N 2 0 269.433 1.515 10 0 CDAERP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)C[C@H]1CCC[NH2+]1 ZINC000335430596 279658000 /nfs/dbraw/zinc/65/80/00/279658000.db2.gz RYKDPPUDVUFMRI-HIFRSBDPSA-N 2 0 273.380 1.213 10 0 CDAERP [NH3+][C@H](CNC(=O)NCC1([NH3+])CCCCC1)c1ccccc1 ZINC000418301721 279684317 /nfs/dbraw/zinc/68/43/17/279684317.db2.gz ZDKXRHVYOXDYIJ-CQSZACIVSA-N 2 0 290.411 1.647 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)NCC[NH+]2CCC[C@H](C)C2)C1 ZINC000194146013 280025633 /nfs/dbraw/zinc/02/56/33/280025633.db2.gz LIJRIMFMLMWJAX-GJZGRUSLSA-N 2 0 296.459 1.502 10 0 CDAERP CC(C)[C@H](C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1)[NH+](C)C ZINC000262103052 280156938 /nfs/dbraw/zinc/15/69/38/280156938.db2.gz VBUUAWXDDWXDEW-VXGBXAGGSA-N 2 0 255.406 1.158 10 0 CDAERP CCC[C@@H](C(=O)NCC[N@@H+]1CCC[C@@H](C)C1)[NH+](C)C ZINC000245642560 280225691 /nfs/dbraw/zinc/22/56/91/280225691.db2.gz BJJUWTMXVOKLRF-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)[C@H]([NH3+])C(=O)N1CCC2(C1)CCC(C[NH3+])CC2 ZINC000095087947 280271902 /nfs/dbraw/zinc/27/19/02/280271902.db2.gz QNJDZSVXQXJYDW-OWYJLGKBSA-N 2 0 267.417 1.337 10 0 CDAERP CC(C)[C@H](O)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000366588500 280346491 /nfs/dbraw/zinc/34/64/91/280346491.db2.gz CDFOGZTYRZLSFC-FCLJQHQZSA-N 2 0 295.471 1.246 10 0 CDAERP CC(C)[NH2+]CCCNC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000519813297 281041932 /nfs/dbraw/zinc/04/19/32/281041932.db2.gz IWELVYWKHAUHAV-AWEZNQCLSA-N 2 0 282.432 1.253 10 0 CDAERP C[N@H+](C[C@@H](O)CC1(O)CCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000528508993 281248592 /nfs/dbraw/zinc/24/85/92/281248592.db2.gz YBZCFDCYMYOSAF-IXXDHKBRSA-N 2 0 282.428 1.209 10 0 CDAERP C[N@H+](C[C@H](O)CC1(O)CCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000528508994 281248612 /nfs/dbraw/zinc/24/86/12/281248612.db2.gz YBZCFDCYMYOSAF-IZGVIRRGSA-N 2 0 282.428 1.209 10 0 CDAERP Cc1cccc2c1C[NH2+]CCN2CC1CC[NH2+]CC1 ZINC000334882533 281276232 /nfs/dbraw/zinc/27/62/32/281276232.db2.gz OBMISSYARNOFIP-UHFFFAOYSA-N 2 0 259.397 1.904 10 0 CDAERP CC[N@H+](CC(=O)N[C@@H]1C[NH+](C(C)C)C[C@@H]1C)C1CC1 ZINC000153612824 289175562 /nfs/dbraw/zinc/17/55/62/289175562.db2.gz SKTQPPBRXUOHQL-GXTWGEPZSA-N 2 0 267.417 1.316 10 0 CDAERP C[C@H](CNC(=O)N[C@H]1CC[NH2+]C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000417312885 289672412 /nfs/dbraw/zinc/67/24/12/289672412.db2.gz OMHHUGNPOICCOX-ZNMIVQPWSA-N 2 0 296.459 1.404 10 0 CDAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000335293846 290602601 /nfs/dbraw/zinc/60/26/01/290602601.db2.gz CNNIIRZMLPWBEX-QWHCGFSZSA-N 2 0 282.432 1.016 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H](COC)c1ccccc1 ZINC000422954564 293098373 /nfs/dbraw/zinc/09/83/73/293098373.db2.gz JAKBJPCTVQFNSQ-LSDHHAIUSA-N 2 0 266.385 1.718 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000563107311 293276023 /nfs/dbraw/zinc/27/60/23/293276023.db2.gz KKMDGBXMZBZHCE-BNOWGMLFSA-N 2 0 261.369 1.191 10 0 CDAERP [NH3+][C@H](Cc1ccccc1)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000563117641 293280199 /nfs/dbraw/zinc/28/01/99/293280199.db2.gz KPQOXWACDLBAJR-OWCLPIDISA-N 2 0 287.407 1.014 10 0 CDAERP COC[C@H](C)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000569221618 294177051 /nfs/dbraw/zinc/17/70/51/294177051.db2.gz GFSHSYZTXRYWOM-BNOWGMLFSA-N 2 0 256.390 1.097 10 0 CDAERP [NH3+]C[C@@H](C(=O)N[C@H]1CC[C@@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000569241075 294180563 /nfs/dbraw/zinc/18/05/63/294180563.db2.gz JZKRWZPPGVAJGS-DDTOSNHZSA-N 2 0 279.359 1.112 10 0 CDAERP Cn1cncc1CCC[N@@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000570939225 294337972 /nfs/dbraw/zinc/33/79/72/294337972.db2.gz FTLHOBKANJRGPX-HIFRSBDPSA-N 2 0 290.411 1.343 10 0 CDAERP Nc1cc[nH+]cc1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000573092612 294750639 /nfs/dbraw/zinc/75/06/39/294750639.db2.gz DARVCSJPNIGWBO-DZGCQCFKSA-N 2 0 282.347 1.061 10 0 CDAERP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)C[C@@H]1CC[NH2+]C1 ZINC000335426823 295276786 /nfs/dbraw/zinc/27/67/86/295276786.db2.gz BRUVZOJZGSTBDR-WFASDCNBSA-N 2 0 273.380 1.071 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000368376033 295278310 /nfs/dbraw/zinc/27/83/10/295278310.db2.gz KPXVONADRZGNOO-ZDUSSCGKSA-N 2 0 259.353 1.017 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1CC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000261843107 295298737 /nfs/dbraw/zinc/29/87/37/295298737.db2.gz VVHCELCZTJDEKK-LSDHHAIUSA-N 2 0 279.428 1.448 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000261710108 295314568 /nfs/dbraw/zinc/31/45/68/295314568.db2.gz GCSJZEOKGDNUOQ-GUTXKFCHSA-N 2 0 265.401 1.106 10 0 CDAERP [NH3+][C@H](C(=O)N1CC[NH2+]C[C@H]1c1ccccc1)C1CCC1 ZINC000333320226 295327709 /nfs/dbraw/zinc/32/77/09/295327709.db2.gz UITLXZMYUNHKRM-GJZGRUSLSA-N 2 0 273.380 1.287 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000418622900 297105993 /nfs/dbraw/zinc/10/59/93/297105993.db2.gz VPAWOLHZCFTACN-APIJFGDWSA-N 2 0 294.443 1.110 10 0 CDAERP C[NH+](C)CC1(C(=O)NC/C=C/C[NH2+]CC2CCCC2)CC1 ZINC001669001231 1173492058 /nfs/dbraw/zinc/49/20/58/1173492058.db2.gz NBHUSFVXBTYXFQ-AATRIKPKSA-N 2 0 293.455 1.780 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H](C[NH3+])C2CC2)cc1 ZINC000418403859 299003429 /nfs/dbraw/zinc/00/34/29/299003429.db2.gz PVDGTDZDWQMVLD-HZMBPMFUSA-N 2 0 276.384 1.243 10 0 CDAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000333547086 300000585 /nfs/dbraw/zinc/00/05/85/300000585.db2.gz JWKPJNDFJGTROG-MNFFZHCASA-N 2 0 294.443 1.299 10 0 CDAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261878386 300318607 /nfs/dbraw/zinc/31/86/07/300318607.db2.gz YRTJQIHIXSEAEQ-XDQVBPFNSA-N 2 0 265.401 1.199 10 0 CDAERP [NH3+]CCCCNC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000418509602 303375319 /nfs/dbraw/zinc/37/53/19/303375319.db2.gz MUGJMGVFOWIVER-UHFFFAOYSA-N 2 0 294.443 1.178 10 0 CDAERP CCCC[NH2+]C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001669650082 1173580269 /nfs/dbraw/zinc/58/02/69/1173580269.db2.gz UUDVQBHRBFFMLO-LBPRGKRZSA-N 2 0 255.406 1.223 10 0 CDAERP O=C(NCCC[NH+]1CCCCC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000416881519 303766603 /nfs/dbraw/zinc/76/66/03/303766603.db2.gz ZYLPXSNEYFNSIF-HNNXBMFYSA-N 2 0 294.443 1.398 10 0 CDAERP C[C@H](C[N@H+](C)CC1CCCC1)NC(=O)CC[NH+](C)C ZINC001669873751 1173622821 /nfs/dbraw/zinc/62/28/21/1173622821.db2.gz VDBMCOFWNBJHGE-CYBMUJFWSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@H]([NH2+]C1CC1)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000566621512 316644033 /nfs/dbraw/zinc/64/40/33/316644033.db2.gz AWBWVWATHUBFLP-NHYWBVRUSA-N 2 0 273.380 1.212 10 0 CDAERP [NH3+]Cc1ccc(-c2noc([C@@]3(F)CC[NH2+]C3)n2)cc1 ZINC000566738206 316668675 /nfs/dbraw/zinc/66/86/75/316668675.db2.gz PJDDAFODJVYLSJ-CYBMUJFWSA-N 2 0 262.288 1.353 10 0 CDAERP C[C@H](NC(=O)c1ccccc1CC[NH3+])[C@H]1CCC[NH2+]C1 ZINC000570171866 316925214 /nfs/dbraw/zinc/92/52/14/316925214.db2.gz XMRMUMWZDGIXPQ-JSGCOSHPSA-N 2 0 275.396 1.306 10 0 CDAERP Cc1cnn(CC[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000575854949 317025854 /nfs/dbraw/zinc/02/58/54/317025854.db2.gz WMGDVEUVKRAXKS-JKSUJKDBSA-N 2 0 292.427 1.410 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)CC[NH2+]1 ZINC000576040653 317062523 /nfs/dbraw/zinc/06/25/23/317062523.db2.gz NFMHWDWYENCINF-KFWWJZLASA-N 3 0 251.418 1.450 10 0 CDAERP [NH3+]Cc1cc(C(=O)N2CCc3ccccc3[C@H]2C[NH3+])ccn1 ZINC000576041431 317063296 /nfs/dbraw/zinc/06/32/96/317063296.db2.gz DCYKBVAIRWEZNA-MRXNPFEDSA-N 2 0 296.374 1.239 10 0 CDAERP CCOC(=O)CCCC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000576584940 317167775 /nfs/dbraw/zinc/16/77/75/317167775.db2.gz VFEXWNVOOIOODO-HNNXBMFYSA-N 2 0 268.401 1.795 10 0 CDAERP C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C[NH2+]CCF ZINC001672315657 1173765147 /nfs/dbraw/zinc/76/51/47/1173765147.db2.gz PVRKSJJJVXNPTO-ZFWWWQNUSA-N 2 0 299.434 1.372 10 0 CDAERP CN(CCC[NH3+])C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000578226568 317495876 /nfs/dbraw/zinc/49/58/76/317495876.db2.gz CULDHWYFJLWYCF-UHFFFAOYSA-N 2 0 296.390 1.378 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@@H](C)CS(=O)(=O)CC)CC1 ZINC000182830709 323303757 /nfs/dbraw/zinc/30/37/57/323303757.db2.gz JSNVRLCNOMUKBQ-ZDUSSCGKSA-N 2 0 290.473 1.521 10 0 CDAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1cn[nH]c1 ZINC000379588200 323602200 /nfs/dbraw/zinc/60/22/00/323602200.db2.gz OBSHRUOEMYZGEB-TZMCWYRMSA-N 2 0 250.390 1.853 10 0 CDAERP C[C@H]([NH2+][C@H](CO)C1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000579461880 324191490 /nfs/dbraw/zinc/19/14/90/324191490.db2.gz HAUUBHXVGIZSBO-NWANDNLSSA-N 2 0 254.418 1.905 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C[C@@H](C)COC ZINC000580128981 324374641 /nfs/dbraw/zinc/37/46/41/324374641.db2.gz FZJPXPYLUFIERU-HZPDHXFCSA-N 2 0 285.476 1.617 10 0 CDAERP COC[C@@](C)(CCO)[NH2+]Cc1ccc2c(c1)C[NH2+]CC2 ZINC000583385965 325166017 /nfs/dbraw/zinc/16/60/17/325166017.db2.gz BQVPNSAIGKDRHX-MRXNPFEDSA-N 2 0 278.396 1.209 10 0 CDAERP CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001698589089 1175858464 /nfs/dbraw/zinc/85/84/64/1175858464.db2.gz YDKPTGHQTOJMMQ-ZIAGYGMSSA-N 2 0 269.433 1.659 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C[NH2+]CCC(F)(F)F)[NH+](C)C ZINC001699366584 1176322161 /nfs/dbraw/zinc/32/21/61/1176322161.db2.gz AGJROTIKEHUBQD-NXEZZACHSA-N 2 0 283.338 1.373 10 0 CDAERP CC/C=C/CC[NH2+]CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001268914454 1160022553 /nfs/dbraw/zinc/02/25/53/1160022553.db2.gz BAFXKUGTHVVQHT-SNAWJCMRSA-N 2 0 293.455 1.877 10 0 CDAERP Cc1n[nH]c(C)c1CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000668740659 482224709 /nfs/dbraw/zinc/22/47/09/482224709.db2.gz LIDZDHFRHFWIHQ-AWEZNQCLSA-N 2 0 278.400 1.058 10 0 CDAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)C3CCC([NH3+])CC3)CC[C@H]21 ZINC000227333260 482443032 /nfs/dbraw/zinc/44/30/32/482443032.db2.gz LTRSKXGSZUQBGW-HXSCFSKGSA-N 2 0 279.428 1.447 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000652291754 482459063 /nfs/dbraw/zinc/45/90/63/482459063.db2.gz GMAIWMWMJKUHPE-STQMWFEESA-N 2 0 290.411 1.298 10 0 CDAERP C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652337171 482462664 /nfs/dbraw/zinc/46/26/64/482462664.db2.gz PCBOHISPCHVMQN-IUODEOHRSA-N 2 0 287.407 1.418 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)C(F)(F)F)[C@H]2CCC[C@@H]21 ZINC000671762339 482784307 /nfs/dbraw/zinc/78/43/07/482784307.db2.gz OAEQJFBWTREDNH-VPOLOUISSA-N 2 0 266.307 1.372 10 0 CDAERP C[C@@H](O)C(C)(C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000677811252 482790244 /nfs/dbraw/zinc/79/02/44/482790244.db2.gz CNXGNUWZIAQFDD-CYBMUJFWSA-N 2 0 280.412 1.876 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)C2CCC([NH3+])CC2)C1 ZINC000389621102 482840045 /nfs/dbraw/zinc/84/00/45/482840045.db2.gz BQMUAZWJSQDJFH-BPCQOVAHSA-N 2 0 253.390 1.104 10 0 CDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000390775324 482926526 /nfs/dbraw/zinc/92/65/26/482926526.db2.gz MKRMMOVVNXJCTA-BMFZPTHFSA-N 2 0 289.423 1.751 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000088277267 482929911 /nfs/dbraw/zinc/92/99/11/482929911.db2.gz RPUHPDJWOJHWNE-GJZGRUSLSA-N 2 0 281.444 1.694 10 0 CDAERP C[C@H]1CC[NH2+]C[C@H]1NCc1ccc(C(=O)NC2CC2)cc1 ZINC000666860486 482954299 /nfs/dbraw/zinc/95/42/99/482954299.db2.gz HRDQAFJMHSOIHG-BLLLJJGKSA-N 2 0 287.407 1.666 10 0 CDAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1COC2(CCC2)C1 ZINC000657976265 483013381 /nfs/dbraw/zinc/01/33/81/483013381.db2.gz NJEDYKDHVOOLDJ-HUUCEWRRSA-N 2 0 281.444 1.314 10 0 CDAERP O=C(C[C@@H]1CCC[NH2+]C1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251521213 483047968 /nfs/dbraw/zinc/04/79/68/483047968.db2.gz WVPXWODNWMFSPF-MJBXVCDLSA-N 2 0 265.401 1.119 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[C@@H]1C[NH3+])c1cccs1 ZINC000089459599 483085950 /nfs/dbraw/zinc/08/59/50/483085950.db2.gz TVDJETRKPPWJMG-FRRDWIJNSA-N 2 0 295.452 1.842 10 0 CDAERP [NH3+]C[C@H]1CCC[C@@H]1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000089461582 483088262 /nfs/dbraw/zinc/08/82/62/483088262.db2.gz HPVPTKYATTZMNI-HIFRSBDPSA-N 2 0 279.428 1.448 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000251923686 483089124 /nfs/dbraw/zinc/08/91/24/483089124.db2.gz YEUXBHIKFSPUET-FRRDWIJNSA-N 2 0 253.390 1.055 10 0 CDAERP c1nn2c(c1CN1CC[C@@H](C[NH+]3CCCC3)C1)CCC2 ZINC000667663303 483374538 /nfs/dbraw/zinc/37/45/38/483374538.db2.gz JECAUEZKIURHLH-AWEZNQCLSA-N 2 0 274.412 1.747 10 0 CDAERP C[NH+](C)CCN1CCC([NH2+][C@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667777707 483420803 /nfs/dbraw/zinc/42/08/03/483420803.db2.gz GTMWVKBETAXPCP-CVEARBPZSA-N 2 0 281.444 1.170 10 0 CDAERP O[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C[NH+]1CCCCC1 ZINC000667798700 483434860 /nfs/dbraw/zinc/43/48/60/483434860.db2.gz SPNIZDGTXVKXSN-APIJFGDWSA-N 2 0 252.402 1.611 10 0 CDAERP C[NH+](C)[C@@H](CC(=O)N[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000667950219 483489488 /nfs/dbraw/zinc/48/94/88/483489488.db2.gz FEXOIYYUAYYLNB-HOTGVXAUSA-N 2 0 289.423 1.890 10 0 CDAERP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322857587 483552619 /nfs/dbraw/zinc/55/26/19/483552619.db2.gz SXZJFLAWPCKNOW-APYLGABCSA-N 2 0 265.401 1.116 10 0 CDAERP CC(C)[NH+]1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000055129205 519680214 /nfs/dbraw/zinc/68/02/14/519680214.db2.gz IYSKSEKCGMKWEV-MJBXVCDLSA-N 2 0 267.417 1.303 10 0 CDAERP CC(C)CN(CC[NH+](C)C)Cc1cc(C[NH3+])no1 ZINC000052503349 519716594 /nfs/dbraw/zinc/71/65/94/519716594.db2.gz ZOTCTSNVXQDDGD-UHFFFAOYSA-N 2 0 254.378 1.153 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)Nc1cccc(C[NH3+])c1 ZINC000049227452 519814287 /nfs/dbraw/zinc/81/42/87/519814287.db2.gz BTQPPTBPADSETJ-AWEZNQCLSA-N 2 0 278.400 1.853 10 0 CDAERP CCC[NH2+]CCC[C@H](C)[NH+]1CCN(C2CC2)CC1 ZINC000052371363 519913289 /nfs/dbraw/zinc/91/32/89/519913289.db2.gz OXKOQVLBNCQHRX-AWEZNQCLSA-N 2 0 253.434 1.935 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000252207448 1161135519 /nfs/dbraw/zinc/13/55/19/1161135519.db2.gz VKMBGMVITOJNAB-QLFBSQMISA-N 2 0 281.444 1.885 10 0 CDAERP CC[N@H+](CCO)CC1(C[NH2+]CC(C)C)CCOCC1 ZINC000052182129 521098071 /nfs/dbraw/zinc/09/80/71/521098071.db2.gz OJBDFQRZEPKLBK-UHFFFAOYSA-N 2 0 272.433 1.343 10 0 CDAERP CC[NH2+][C@H](C)C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001691693009 1161571177 /nfs/dbraw/zinc/57/11/77/1161571177.db2.gz XKUZBQRSEJJWTF-CYBMUJFWSA-N 2 0 269.433 1.563 10 0 CDAERP C[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2ccoc2C)O1 ZINC000052346598 522094598 /nfs/dbraw/zinc/09/45/98/522094598.db2.gz HGKAELRHASHLQG-KGLIPLIRSA-N 2 0 252.358 1.787 10 0 CDAERP C[NH2+]Cc1occc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515318 522165209 /nfs/dbraw/zinc/16/52/09/522165209.db2.gz JHNJFEPQUWPDTP-UHFFFAOYSA-N 3 0 265.401 1.773 10 0 CDAERP C[NH2+][C@@H](CCN1CCN(CC[NH+](C)C)CC1)C(C)(C)C ZINC000061653797 522346304 /nfs/dbraw/zinc/34/63/04/522346304.db2.gz BGNXCNNJMOYQNR-HNNXBMFYSA-N 2 0 284.492 1.190 10 0 CDAERP CC[NH2+]C[C@@](C)(NC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001732247846 1182881492 /nfs/dbraw/zinc/88/14/92/1182881492.db2.gz MTRUDFFWIHDFJB-SWLSCSKDSA-N 2 0 267.417 1.223 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)NCCC[NH3+])c1ccc(F)cc1 ZINC000417158119 536128833 /nfs/dbraw/zinc/12/88/33/536128833.db2.gz AVIYHUIXWMUMNL-ZDUSSCGKSA-N 2 0 282.363 1.076 10 0 CDAERP CC(C)(C)[NH+]1CCN(CC[NH2+]C[C@@H]2CCCO2)CC1 ZINC000053442357 518711632 /nfs/dbraw/zinc/71/16/32/518711632.db2.gz DMPVFSZWAYNSJI-AWEZNQCLSA-N 2 0 269.433 1.171 10 0 CDAERP CC(C)(C)[NH2+]C[C@@H]1CCN([C@@H]2C[NH+]3CCC2CC3)C1 ZINC000053012381 518760236 /nfs/dbraw/zinc/76/02/36/518760236.db2.gz JQTBVUOOFRICHO-DZGCQCFKSA-N 2 0 265.445 1.791 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CC[C@H](CN2CC[NH+](C(C)(C)C)CC2)O1 ZINC000052571697 519723901 /nfs/dbraw/zinc/72/39/01/519723901.db2.gz HUMZZTNLMACFHE-JKSUJKDBSA-N 2 0 297.487 1.948 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)[C@@H]1[C@@H](C)CCC[C@@H]1[NH3+] ZINC000055139192 519814231 /nfs/dbraw/zinc/81/42/31/519814231.db2.gz OHROEPAARKDTNP-XDQVBPFNSA-N 2 0 269.433 1.452 10 0 CDAERP CC(C)[C@H](C[NH2+]C1CC1)N1CCC([NH+](C)C)CC1 ZINC000052477509 519815883 /nfs/dbraw/zinc/81/58/83/519815883.db2.gz RSYITRAQDRWCMR-HNNXBMFYSA-N 2 0 253.434 1.789 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@H]2CCC[C@H](C)[C@@H]2[NH3+])CC1 ZINC000055141536 519846269 /nfs/dbraw/zinc/84/62/69/519846269.db2.gz QGVRIBMVXXTYEK-QEJZJMRPSA-N 2 0 281.444 1.741 10 0 CDAERP CC(C)c1ncc(N2CCC[C@H]2C[NH+](C)C)c(C[NH3+])n1 ZINC000061654347 519876665 /nfs/dbraw/zinc/87/66/65/519876665.db2.gz SSGBFOCNSGHAPJ-LBPRGKRZSA-N 2 0 277.416 1.589 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000061289875 519906045 /nfs/dbraw/zinc/90/60/45/519906045.db2.gz QICVPUKBSRXOHO-GFCCVEGCSA-N 2 0 255.406 1.365 10 0 CDAERP CCC[NH2+]CCCC[N@H+](CCOC)[C@@H](C)COC ZINC000052572250 519912086 /nfs/dbraw/zinc/91/20/86/519912086.db2.gz QLTWEZHWZQUFPA-AWEZNQCLSA-N 2 0 260.422 1.750 10 0 CDAERP CC[NH2+]CCC(=O)NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000061298628 519916275 /nfs/dbraw/zinc/91/62/75/519916275.db2.gz WRVKHDLZSKDUOF-CYBMUJFWSA-N 2 0 255.406 1.223 10 0 CDAERP CCC[NH2+]Cc1ccccc1OCCN1CC[NH+](C)CC1 ZINC000052379380 519957123 /nfs/dbraw/zinc/95/71/23/519957123.db2.gz LBEUKGMXOSYVRB-UHFFFAOYSA-N 2 0 291.439 1.812 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000061268445 519960402 /nfs/dbraw/zinc/96/04/02/519960402.db2.gz GENVQRBHDIHMPT-STQMWFEESA-N 2 0 255.406 1.175 10 0 CDAERP CC[NH2+]Cc1ccoc1CN1CCN(CC[NH+](C)C)CC1 ZINC000061654853 520011376 /nfs/dbraw/zinc/01/13/76/520011376.db2.gz BAMPNWICHOSTBB-UHFFFAOYSA-N 2 0 294.443 1.068 10 0 CDAERP CCC[NH2+][C@@H]1CCOC[C@H]1N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055066152 520025458 /nfs/dbraw/zinc/02/54/58/520025458.db2.gz CSBYNZAJCZOHNG-ARFHVFGLSA-N 2 0 283.460 1.560 10 0 CDAERP CCC[NH2+][C@H]1CCC[C@@H]1N1CCC[C@@H]1C[NH+](C)C ZINC000061643739 520092061 /nfs/dbraw/zinc/09/20/61/520092061.db2.gz BGWOZFSUKVXXLQ-ILXRZTDVSA-N 2 0 253.434 1.933 10 0 CDAERP CCC[NH2+][C@](C)(C[C@@H](C)[NH+]1CCC(OCC)CC1)C(N)=O ZINC000068628290 520112588 /nfs/dbraw/zinc/11/25/88/520112588.db2.gz MWYUEQDZPKOUQI-CZUORRHYSA-N 2 0 299.459 1.510 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000061273641 520164822 /nfs/dbraw/zinc/16/48/22/520164822.db2.gz IITWCJGSJUYYKJ-LLVKDONJSA-N 2 0 269.433 1.800 10 0 CDAERP CC[NH2+][C@](C)(CCC[N@@H+]1CCCC(C)(C)C1)C(N)=O ZINC000069516665 520227490 /nfs/dbraw/zinc/22/74/90/520227490.db2.gz OXAYKYXBTCCGGM-OAHLLOKOSA-N 2 0 269.433 1.742 10 0 CDAERP CC[NH+](CC)CCOC[C@@H]1CC[C@@H](C[NH2+]C(C)C)O1 ZINC000052672019 520694481 /nfs/dbraw/zinc/69/44/81/520694481.db2.gz SXVAKQWJPYWOBI-GJZGRUSLSA-N 2 0 272.433 1.890 10 0 CDAERP CC[NH+](CC)CCc1nc(C)c(C[NH2+]C)c(C)n1 ZINC000054854030 520710955 /nfs/dbraw/zinc/71/09/55/520710955.db2.gz PGITYPVWHWUKNQ-UHFFFAOYSA-N 2 0 250.390 1.697 10 0 CDAERP CCC[C@@]1(C(=O)NC[C@H](C(C)C)[NH+](C)C)CCC[NH2+]C1 ZINC000062859177 520943154 /nfs/dbraw/zinc/94/31/54/520943154.db2.gz PZAHVSAUGUEFIO-GDBMZVCRSA-N 2 0 283.460 1.859 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)C[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000055129408 521554826 /nfs/dbraw/zinc/55/48/26/521554826.db2.gz JNIUPTWRRVHLCR-KBPBESRZSA-N 2 0 281.444 1.837 10 0 CDAERP CC[NH+]1CCC(N(C)Cc2[nH+]c(NN)ccc2Cl)CC1 ZINC000061638358 521564590 /nfs/dbraw/zinc/56/45/90/521564590.db2.gz XTAVVAJGXKKRBZ-UHFFFAOYSA-N 2 0 297.834 1.937 10 0 CDAERP CCOC1CC[NH+](Cc2ccc(C[NH2+]C)o2)CC1 ZINC000052483994 521657047 /nfs/dbraw/zinc/65/70/47/521657047.db2.gz MLWHJTKAJRLEMG-UHFFFAOYSA-N 2 0 252.358 2.000 10 0 CDAERP CC[NH+]1CCN(C[C@@H]2CC[C@@H](C[NH2+]CC(C)C)O2)CC1 ZINC000052422519 521685910 /nfs/dbraw/zinc/68/59/10/521685910.db2.gz HUQXXTSVIZKQFV-HOTGVXAUSA-N 2 0 283.460 1.417 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)C1(C[NH3+])CCCCC1 ZINC000061644054 521829777 /nfs/dbraw/zinc/82/97/77/521829777.db2.gz SLADOWKJXHQLTD-ZDUSSCGKSA-N 2 0 267.417 1.448 10 0 CDAERP C[NH2+]CCC[C@H](C)N1CC[NH+](C2CCCC2)CC1 ZINC000052573520 521999992 /nfs/dbraw/zinc/99/99/92/521999992.db2.gz AIOAZHJPIPZKQX-AWEZNQCLSA-N 2 0 253.434 1.935 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)C2(C[NH3+])CCCCC2)CC1 ZINC000055071190 522110753 /nfs/dbraw/zinc/11/07/53/522110753.db2.gz APUVBTUFMRVMIC-CQSZACIVSA-N 2 0 281.444 1.838 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(Cc2cc(C[NH3+])co2)CC1 ZINC000055074259 522126465 /nfs/dbraw/zinc/12/64/65/522126465.db2.gz HWAXXAKEPPZKQP-GFCCVEGCSA-N 2 0 251.374 1.654 10 0 CDAERP CC[C@@H](C)[NH+]1CCN([C@H](c2cccnc2)[C@@H](C)[NH3+])CC1 ZINC000055064094 522132166 /nfs/dbraw/zinc/13/21/66/522132166.db2.gz HGWZPGVNIRSBLZ-FMKPAKJESA-N 2 0 276.428 1.886 10 0 CDAERP CC[C@@H](C)[NH+]1CCN([C@H](c2ccncc2)[C@@H](C)[NH3+])CC1 ZINC000055064116 522132514 /nfs/dbraw/zinc/13/25/14/522132514.db2.gz KBQFEECKBWMDGF-FMKPAKJESA-N 2 0 276.428 1.886 10 0 CDAERP C[NH2+]Cc1ccccc1CN1CC[NH+](C(C)C)CC1 ZINC000052480146 522134066 /nfs/dbraw/zinc/13/40/66/522134066.db2.gz LLGDOIHBXFCRKP-UHFFFAOYSA-N 2 0 261.413 1.932 10 0 CDAERP CC[C@@H](C)[NH2+]CC(=O)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055078377 522228058 /nfs/dbraw/zinc/22/80/58/522228058.db2.gz XUZBEUFAAVTFQN-OLZOCXBDSA-N 2 0 255.406 1.317 10 0 CDAERP CN(C1CC[NH+](C)CC1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000069265487 522414894 /nfs/dbraw/zinc/41/48/94/522414894.db2.gz ODLIGKFBBVHJRB-INIZCTEOSA-N 2 0 259.397 1.857 10 0 CDAERP COCC[N@H+](CCCCC[NH2+]C1CC1)[C@H](C)COC ZINC000052572418 523694311 /nfs/dbraw/zinc/69/43/11/523694311.db2.gz UVTANWMUXOJTAQ-CQSZACIVSA-N 2 0 272.433 1.892 10 0 CDAERP C[NH+]1CCN(CCC[NH2+]Cc2cnn3ccccc23)CC1 ZINC000071372708 523900537 /nfs/dbraw/zinc/90/05/37/523900537.db2.gz WUZRRQIIDBRJHE-UHFFFAOYSA-N 2 0 287.411 1.061 10 0 CDAERP CC[C@H](C)[NH+]1CCN([C@H](C[NH3+])c2cccnc2)CC1 ZINC000055064062 523959715 /nfs/dbraw/zinc/95/97/15/523959715.db2.gz RSLNKHIJXORBON-DZGCQCFKSA-N 2 0 262.401 1.498 10 0 CDAERP C[NH+](C)C1CCN([C@]2(C[NH3+])CCCSC2)CC1 ZINC000061590067 524040855 /nfs/dbraw/zinc/04/08/55/524040855.db2.gz YDNSPSBYJGSBCE-ZDUSSCGKSA-N 2 0 257.447 1.237 10 0 CDAERP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1CCC[C@H](C[NH3+])C1 ZINC000055146271 524045768 /nfs/dbraw/zinc/04/57/68/524045768.db2.gz DZDBRUFDVMXLSR-QWHCGFSZSA-N 2 0 269.433 1.456 10 0 CDAERP C[NH+](C)CCCOCCOc1cccc(C[NH3+])c1 ZINC000052672515 524057321 /nfs/dbraw/zinc/05/73/21/524057321.db2.gz ZGNNMKPVVPVZFS-UHFFFAOYSA-N 2 0 252.358 1.492 10 0 CDAERP C[C@H]1CCC[C@H](C(=O)N2CCC[C@@H]2C[NH+](C)C)[C@@H]1[NH3+] ZINC000061656195 524176619 /nfs/dbraw/zinc/17/66/19/524176619.db2.gz BUYFAHHGJGBDGA-RFQIPJPRSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC000055141099 524203573 /nfs/dbraw/zinc/20/35/73/524203573.db2.gz UIPTWZIOBLXUMG-MELADBBJSA-N 2 0 281.444 1.693 10 0 CDAERP COc1ccccc1CN(C)C1(C[NH3+])CC[NH+](C)CC1 ZINC000048893803 524436038 /nfs/dbraw/zinc/43/60/38/524436038.db2.gz ZVHKINJUONJXJM-UHFFFAOYSA-N 2 0 277.412 1.550 10 0 CDAERP C[C@@H](C[NH+]1CCCC1)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000049184798 524590902 /nfs/dbraw/zinc/59/09/02/524590902.db2.gz LAJYIPACBPUSCU-AJNGGQMLSA-N 2 0 279.428 1.508 10 0 CDAERP CCCC[N@H+]1CC=C(CNC(=O)C[NH+](C)CCC)CC1 ZINC001677624512 1174379981 /nfs/dbraw/zinc/37/99/81/1174379981.db2.gz QXMNLYJAOUEVBH-UHFFFAOYSA-N 2 0 281.444 1.877 10 0 CDAERP C[C@H]([NH3+])[C@H](c1ccccn1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062939973 524853889 /nfs/dbraw/zinc/85/38/89/524853889.db2.gz OVBGVMUBRLONNA-SQWLQELKSA-N 2 0 274.412 1.640 10 0 CDAERP C[C@H]([NH2+]CCN1CCC[C@@H]1C[NH+](C)C)[C@@H]1CCCO1 ZINC000061655204 525352326 /nfs/dbraw/zinc/35/23/26/525352326.db2.gz ANCISFONQUQWRE-ZNMIVQPWSA-N 2 0 269.433 1.170 10 0 CDAERP C[C@@H]1C[C@H](C(=O)N2CCC[C@@H]2C[NH+](C)C)CC[C@@H]1[NH3+] ZINC000061656179 525358386 /nfs/dbraw/zinc/35/83/86/525358386.db2.gz XXTJSKVMWVKCOT-SYQHCUMBSA-N 2 0 267.417 1.303 10 0 CDAERP O[C@H]1CC[N@H+](CC2(C[NH2+]C3CC3)CCCCC2)C1 ZINC000061711763 526308130 /nfs/dbraw/zinc/30/81/30/526308130.db2.gz LFPUQOAVPILYLB-AWEZNQCLSA-N 2 0 252.402 1.756 10 0 CDAERP NC(=[NH2+])c1cc(N2CCC([NH+]3CCCCC3)CC2)ccn1 ZINC000061814153 526821143 /nfs/dbraw/zinc/82/11/43/526821143.db2.gz KQLGJVASGUYWJX-UHFFFAOYSA-N 2 0 287.411 1.820 10 0 CDAERP [NH3+]Cc1ccc(F)cc1C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000069401666 527254775 /nfs/dbraw/zinc/25/47/75/527254775.db2.gz RBWBGSYTDLNMTO-INIZCTEOSA-N 2 0 293.386 1.191 10 0 CDAERP [NH3+][C@H]1c2ccccc2CC[C@H]1N1CC[NH+](C2CC2)CC1 ZINC000048992715 527420717 /nfs/dbraw/zinc/42/07/17/527420717.db2.gz IWAOLZVLTUJSJZ-SJORKVTESA-N 2 0 271.408 1.781 10 0 CDAERP CCC(CC)(C[NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000236635050 534928110 /nfs/dbraw/zinc/92/81/10/534928110.db2.gz DEFYUULXLSEVAW-QWHCGFSZSA-N 2 0 269.433 1.693 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC1([NH3+])CCCCCC1 ZINC000236648691 534997448 /nfs/dbraw/zinc/99/74/48/534997448.db2.gz QSOLPRUDRIAACR-UHFFFAOYSA-N 2 0 255.406 1.495 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000250505583 535009339 /nfs/dbraw/zinc/00/93/39/535009339.db2.gz NDHIYOOSMOJLDI-RDBSUJKOSA-N 2 0 267.417 1.364 10 0 CDAERP CC(C)[NH+](CCNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)C(C)C ZINC000416797837 535067741 /nfs/dbraw/zinc/06/77/41/535067741.db2.gz BMBFQSFZBJTCLL-CABCVRRESA-N 2 0 296.459 1.499 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CCCCCC[NH3+] ZINC000092629863 535545012 /nfs/dbraw/zinc/54/50/12/535545012.db2.gz NBTAZRJGKWHXNJ-CQSZACIVSA-N 2 0 269.433 1.838 10 0 CDAERP CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000414805801 535642562 /nfs/dbraw/zinc/64/25/62/535642562.db2.gz AWMKLYPDABJFIC-VXGBXAGGSA-N 2 0 284.425 1.619 10 0 CDAERP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC2=[NH+]CCCN2)C1 ZINC000262254343 535819832 /nfs/dbraw/zinc/81/98/32/535819832.db2.gz DOHMVUOVUXMEOD-CYBMUJFWSA-N 2 0 266.433 1.826 10 0 CDAERP C[NH+](C)Cc1cc(CN[C@H]2CCC[C@H]2[NH3+])ccc1F ZINC000422739627 535990913 /nfs/dbraw/zinc/99/09/13/535990913.db2.gz AIMGSGSKZJEPSE-CABCVRRESA-N 2 0 265.376 1.857 10 0 CDAERP C[NH+](C)Cc1cc(CN[C@@H]2CCC[C@H]2[NH3+])ccc1F ZINC000422739629 535991225 /nfs/dbraw/zinc/99/12/25/535991225.db2.gz AIMGSGSKZJEPSE-HUUCEWRRSA-N 2 0 265.376 1.857 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C1CCN(c2ccccc2)CC1 ZINC000422740640 536594032 /nfs/dbraw/zinc/59/40/32/536594032.db2.gz NXJRLLMXRKZPPU-MRXNPFEDSA-N 2 0 291.439 1.999 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H](c1cccc(F)c1)N(C)C ZINC000422726822 536850190 /nfs/dbraw/zinc/85/01/90/536850190.db2.gz GAIYAOJJRXTABN-JKSUJKDBSA-N 2 0 297.418 1.772 10 0 CDAERP Cc1nn(C)c2sc([C@@H]3CC[C@@H](C[NH3+])C[NH2+]3)cc12 ZINC000757206445 574904687 /nfs/dbraw/zinc/90/46/87/574904687.db2.gz ADYXYFWVMUEQGN-ONGXEEELSA-N 2 0 264.398 1.943 10 0 CDAERP CC[N@@H+](C/C=C\Cl)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001689969046 1175325329 /nfs/dbraw/zinc/32/53/29/1175325329.db2.gz FCQZATNEVSPRCW-LLPBQKLSSA-N 2 0 287.835 1.519 10 0 CDAERP COCCOCCC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925518795 617429777 /nfs/dbraw/zinc/42/97/77/617429777.db2.gz KFRSBDLWTQJEAT-CVEARBPZSA-N 2 0 284.444 1.797 10 0 CDAERP CC1(C)[C@H]([NH2+]CCCOC[C@@H]2CCCO2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925521879 617434321 /nfs/dbraw/zinc/43/43/21/617434321.db2.gz WVXYUFVDYAGQNI-XUWVNRHRSA-N 2 0 296.455 1.938 10 0 CDAERP C(C[NH2+][C@@H]1CC[NH2+]C12CCC2)COC[C@@H]1CCOC1 ZINC000925524262 617442129 /nfs/dbraw/zinc/44/21/29/617442129.db2.gz ZSRYIRHHMSVTLR-UONOGXRCSA-N 2 0 268.401 1.304 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000924555459 617453640 /nfs/dbraw/zinc/45/36/40/617453640.db2.gz XHULDCBWRMLYJT-IAPGTGOOSA-N 2 0 288.391 1.756 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCOC1(C)C ZINC000926728324 617475681 /nfs/dbraw/zinc/47/56/81/617475681.db2.gz SSTLRVJNOQGNNO-RBKKPWLPSA-N 2 0 252.402 1.731 10 0 CDAERP COC1CC[NH+](CCN[C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925543271 617486508 /nfs/dbraw/zinc/48/65/08/617486508.db2.gz RGZBONFNHSTWFQ-OAHLLOKOSA-N 2 0 281.444 1.362 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000925566617 617514987 /nfs/dbraw/zinc/51/49/87/617514987.db2.gz DNBPWKRNJCEAPT-QGPPMGRFSA-N 2 0 294.439 1.644 10 0 CDAERP CN(C)C(=O)CCC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925588726 617535745 /nfs/dbraw/zinc/53/57/45/617535745.db2.gz ZEOKKGIXNPEOAV-NWDGAFQWSA-N 2 0 255.406 1.350 10 0 CDAERP Cc1noc(CCC[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)n1 ZINC000925592554 617538933 /nfs/dbraw/zinc/53/89/33/617538933.db2.gz IQLZAYLWTHWESD-NWDGAFQWSA-N 2 0 266.389 1.806 10 0 CDAERP COCC[C@](C)(O)C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925611355 617555489 /nfs/dbraw/zinc/55/54/89/617555489.db2.gz LOJUNSXGBRRINT-DYEKYZERSA-N 2 0 258.406 1.270 10 0 CDAERP CC1(C)[C@@H]([NH2+]CCc2ccncc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925616327 617561617 /nfs/dbraw/zinc/56/16/17/617561617.db2.gz QZNRYLXIXORWLX-ILXRZTDVSA-N 2 0 259.397 1.990 10 0 CDAERP [NH3+]CCCCCCC[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000104185638 617573571 /nfs/dbraw/zinc/57/35/71/617573571.db2.gz ZLSBKJKTFWAWLQ-OAHLLOKOSA-N 2 0 269.433 1.302 10 0 CDAERP CC1(C)[C@H]([NH2+]CCO[C@H]2CCOC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925875354 617944890 /nfs/dbraw/zinc/94/48/90/617944890.db2.gz RMVXPIXLIQSMIX-RFQIPJPRSA-N 2 0 268.401 1.158 10 0 CDAERP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@@H](CO)Cc1ccc(F)cc1)[NH2+]2 ZINC000925651285 617593837 /nfs/dbraw/zinc/59/38/37/617593837.db2.gz ZRXHWHGIRZHIAV-XFPGOJQTSA-N 2 0 292.398 1.848 10 0 CDAERP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H](CO)Cc1ccc(F)cc1)[NH2+]2 ZINC000925651284 617594060 /nfs/dbraw/zinc/59/40/60/617594060.db2.gz ZRXHWHGIRZHIAV-WTBGCVQCSA-N 2 0 292.398 1.848 10 0 CDAERP C[N@@H+]1C[C@@H]2C[NH+](C[C@H](O)CC3(CO)CCCC3)C[C@]2(C)C1 ZINC000933733609 617599395 /nfs/dbraw/zinc/59/93/95/617599395.db2.gz FZNWUNJLLNEDEI-OAGGEKHMSA-N 2 0 296.455 1.174 10 0 CDAERP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)C1CC[NH+](C)CC1 ZINC000925785514 617708189 /nfs/dbraw/zinc/70/81/89/617708189.db2.gz UTCNINKLTSFQGU-DGCLKSJQSA-N 3 0 275.387 1.551 10 0 CDAERP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)C(C)(C)n1cncn1 ZINC000925802431 617735906 /nfs/dbraw/zinc/73/59/06/617735906.db2.gz GNHDJGDGJDXVGV-JHJVBQTASA-N 2 0 265.405 1.237 10 0 CDAERP C[C@H]([NH2+]CCc1ccc2ncccc2c1)C1C[NH2+]C1 ZINC000925814506 617765624 /nfs/dbraw/zinc/76/56/24/617765624.db2.gz MKDAOMBAFPEYSM-LBPRGKRZSA-N 2 0 255.365 1.975 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@]1(C(F)(F)F)CCCN1 ZINC000925858938 617898121 /nfs/dbraw/zinc/89/81/21/617898121.db2.gz WZJDDUMCPDNSMK-OVIZCXLRSA-N 2 0 291.361 1.776 10 0 CDAERP CC1(C)[C@H](N[C@H]2CC[NH2+]C23CCC3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925724477 617909829 /nfs/dbraw/zinc/90/98/29/617909829.db2.gz YRHGOMNCBQTSON-ZOBORPQBSA-N 2 0 263.429 1.637 10 0 CDAERP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000925876413 617949603 /nfs/dbraw/zinc/94/96/03/617949603.db2.gz XHVBFZNQWSHAMT-OLZOCXBDSA-N 3 0 253.434 1.966 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1(CC2CC2)CC1 ZINC000925732852 618046014 /nfs/dbraw/zinc/04/60/14/618046014.db2.gz DWBJPVQUPOQVLV-FPMFFAJLSA-N 2 0 252.402 1.909 10 0 CDAERP O=C1C[C@@H]([C@H]2CCCC[N@@H+]2CCC[NH2+]C2CC2)CN1 ZINC000923372884 618324205 /nfs/dbraw/zinc/32/42/05/618324205.db2.gz JUOVTJUGPNSNGV-TZMCWYRMSA-N 2 0 265.401 1.119 10 0 CDAERP C[C@H](C[NH2+][C@H](C1CC1)[C@@H]1CCCOC1)N1CC[NH+](C)CC1 ZINC000924963464 618454598 /nfs/dbraw/zinc/45/45/98/618454598.db2.gz FLCPFNZOHFHZRO-DJIMGWMZSA-N 2 0 295.471 1.417 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000895708900 619812710 /nfs/dbraw/zinc/81/27/10/619812710.db2.gz XCZBMYBLSBQUGM-OLZOCXBDSA-N 2 0 269.433 1.706 10 0 CDAERP C[C@H]1CCN(CC[NH2+][C@@H]2CCOC23CCOCC3)C1 ZINC000925198927 620550608 /nfs/dbraw/zinc/55/06/08/620550608.db2.gz YVWOVSNVMVPIGY-UONOGXRCSA-N 2 0 268.401 1.256 10 0 CDAERP CSC1(CNC(=[NH2+])N[C@H]2C[C@H]2C)CC[NH+](C)CC1 ZINC000864467036 620933735 /nfs/dbraw/zinc/93/37/35/620933735.db2.gz PDISTIHVRHCLAR-MNOVXSKESA-N 2 0 270.446 1.336 10 0 CDAERP CC(C)[N@@H+]1CCCN(C(=O)N[C@@H]2CC[NH+](C)[C@H]2C)CC1 ZINC000925319512 621197951 /nfs/dbraw/zinc/19/79/51/621197951.db2.gz CGIPYMSFTXPEOF-UONOGXRCSA-N 2 0 282.432 1.205 10 0 CDAERP C[C@H](NC(=[NH2+])NCC[N@@H+]1CCCC[C@@H]1C)C1CC1 ZINC000899266930 622128277 /nfs/dbraw/zinc/12/82/77/622128277.db2.gz ZFWQEWLSKMHHJO-RYUDHWBXSA-N 2 0 252.406 1.773 10 0 CDAERP C[C@@H]1CCC[C@](CNC(=O)C23CC[NH+](CC2)C3)([NH+](C)C)C1 ZINC000900321707 622890637 /nfs/dbraw/zinc/89/06/37/622890637.db2.gz XSEVABPSDGLISN-PBHICJAKSA-N 2 0 293.455 1.709 10 0 CDAERP C1[C@@H]2[C@H]1[C@@H]1O[C@H]2C[C@H]1[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000902453276 624836496 /nfs/dbraw/zinc/83/64/96/624836496.db2.gz OPHWQEMMDBYFJM-SHXIOTAHSA-N 2 0 276.424 1.920 10 0 CDAERP C[C@H]1[C@H](NC2CC[NH+](CC3CC3)CC2)CC[N@@H+]1C ZINC000903302217 625960844 /nfs/dbraw/zinc/96/08/44/625960844.db2.gz ZZTRGCRAYCRDRF-SWLSCSKDSA-N 2 0 251.418 1.543 10 0 CDAERP CC[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@@H](CC)CN1C(C)=O ZINC000903439964 625992685 /nfs/dbraw/zinc/99/26/85/625992685.db2.gz RSYHRPUKTMSGCT-UGUYLWEFSA-N 2 0 281.444 1.835 10 0 CDAERP COc1ccc([C@H]2C[NH2+]CCN2C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000903482828 626006661 /nfs/dbraw/zinc/00/66/61/626006661.db2.gz VDXXGZMKBCSTPX-UKPHBRMFSA-N 2 0 289.423 1.769 10 0 CDAERP C[C@@H]1C[N@H+](C[C@H]2CC3(CCC3)CO2)C[C@H]1CC[NH3+] ZINC000903499566 626009196 /nfs/dbraw/zinc/00/91/96/626009196.db2.gz WIOZMNYEGXLCAZ-MGPQQGTHSA-N 2 0 252.402 1.862 10 0 CDAERP [NH3+]CCCCCCN1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903542913 626016710 /nfs/dbraw/zinc/01/67/10/626016710.db2.gz ZLEUMORRQZLTIV-WDEREUQCSA-N 2 0 267.339 1.717 10 0 CDAERP C(C[N@@H+]1CCC2(C1)CC[NH2+]CC2)OC1CCSCC1 ZINC000903743461 626080536 /nfs/dbraw/zinc/08/05/36/626080536.db2.gz LTDHCZYIXLCRGB-UHFFFAOYSA-N 2 0 284.469 1.974 10 0 CDAERP C([C@@H]1CCC2(CCC2)O1)[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903818316 626112187 /nfs/dbraw/zinc/11/21/87/626112187.db2.gz GKZOFMZQFDJACE-HNNXBMFYSA-N 2 0 294.439 1.933 10 0 CDAERP O=C1NCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1ccccc1 ZINC000903889307 626124362 /nfs/dbraw/zinc/12/43/62/626124362.db2.gz QJMIPVBAXGKJOK-YQAQFAQXSA-N 2 0 299.418 1.690 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)C[C@@H]2CCCOC2)cnn1C ZINC000903890510 626124714 /nfs/dbraw/zinc/12/47/14/626124714.db2.gz DCXQKVLBTLPBED-GJZGRUSLSA-N 2 0 294.443 1.204 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCC3(CCC3)C2)cnn1C ZINC000903897066 626136515 /nfs/dbraw/zinc/13/65/15/626136515.db2.gz YRBMOORJKFXHPI-AWEZNQCLSA-N 2 0 276.428 1.722 10 0 CDAERP CC[C@](C)(CC(=O)OC)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903906298 626141146 /nfs/dbraw/zinc/14/11/46/626141146.db2.gz VFBRQRNBTBJNEA-VYHDIPPYSA-N 2 0 268.401 1.838 10 0 CDAERP CC[N@H+](CCC1CC1)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903911017 626144041 /nfs/dbraw/zinc/14/40/41/626144041.db2.gz UXHSBERWDBZIRZ-CQSZACIVSA-N 2 0 277.416 1.825 10 0 CDAERP CCC(CC)[C@@H](O)C[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903922971 626148389 /nfs/dbraw/zinc/14/83/89/626148389.db2.gz IPKFSFNRQWRTCF-HIFRSBDPSA-N 2 0 295.431 1.089 10 0 CDAERP CN1c2ccccc2C[C@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1=O ZINC000903932488 626152488 /nfs/dbraw/zinc/15/24/88/626152488.db2.gz CIJSFNIOTMPCIP-WDVRLDOZSA-N 2 0 299.418 1.694 10 0 CDAERP CC(C)(C)[NH2+]CCN1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903959738 626159885 /nfs/dbraw/zinc/15/98/85/626159885.db2.gz NEZSIAQZESYCEV-OAHLLOKOSA-N 2 0 253.434 1.840 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCC([NH2+]C2CCOCC2)CC1 ZINC000903948210 626164237 /nfs/dbraw/zinc/16/42/37/626164237.db2.gz NNNLFHOKUJLQEI-AWEZNQCLSA-N 2 0 283.460 1.593 10 0 CDAERP COC(=O)c1cc(CNC[C@H]2C[NH2+]CCC2(F)F)c[nH]1 ZINC000903955094 626166447 /nfs/dbraw/zinc/16/64/47/626166447.db2.gz KQJAKIRVDQEERQ-SNVBAGLBSA-N 2 0 287.310 1.136 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000903973906 626168365 /nfs/dbraw/zinc/16/83/65/626168365.db2.gz IPVDJINMJCNDKW-DGCLKSJQSA-N 2 0 258.369 1.898 10 0 CDAERP COc1cccc(C[C@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000903974765 626169166 /nfs/dbraw/zinc/16/91/66/626169166.db2.gz RRPLFYQYYGRHRH-HZSPNIEDSA-N 2 0 277.412 1.856 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000905304245 626756330 /nfs/dbraw/zinc/75/63/30/626756330.db2.gz JMPLBCUKXBXDCY-UWVGGRQHSA-N 2 0 252.362 1.755 10 0 CDAERP [NH3+][C@H]1CC[C@@H](c2nc(CC3CC[NH2+]CC3)no2)CC1 ZINC000905309223 626758605 /nfs/dbraw/zinc/75/86/05/626758605.db2.gz WAOCLHJICCMHPB-TXEJJXNPSA-N 2 0 264.373 1.597 10 0 CDAERP CC1(C)C[NH2+]C[C@H]1c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000905309881 626758639 /nfs/dbraw/zinc/75/86/39/626758639.db2.gz DXRNJDIWNZUJHF-YATPEIPISA-N 2 0 276.384 1.781 10 0 CDAERP C[NH+]1CCC(Cc2nc(CC3CC[NH2+]CC3)no2)CC1 ZINC000905310433 626759511 /nfs/dbraw/zinc/75/95/11/626759511.db2.gz UXVZESMEBICRSA-UHFFFAOYSA-N 2 0 278.400 1.496 10 0 CDAERP CC[N@@H+]1CC[C@@H]1CNC(=S)NC[C@@H]1CCC[NH+]1CC ZINC000905547380 626854885 /nfs/dbraw/zinc/85/48/85/626854885.db2.gz CFOCMOBEJXGVHC-QWHCGFSZSA-N 2 0 284.473 1.029 10 0 CDAERP C[N@@H+]1CCC[C@](O)(CC(=O)Nc2ccn3ccnc3c2)C1 ZINC000907904738 627895247 /nfs/dbraw/zinc/89/52/47/627895247.db2.gz MXPYTKLUQCIBPO-HNNXBMFYSA-N 2 0 288.351 1.120 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC000908256104 628081735 /nfs/dbraw/zinc/08/17/35/628081735.db2.gz DROCXCYNBRNWFA-RRFJBIMHSA-N 2 0 281.444 1.848 10 0 CDAERP CC[N@H+]1[C@H](C)CN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)C[C@@H]1C ZINC000912021868 629738784 /nfs/dbraw/zinc/73/87/84/629738784.db2.gz NPZRDSXHWLZJEQ-XUWVNRHRSA-N 2 0 293.455 1.944 10 0 CDAERP C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+]3C3CC3)C[C@@]2(C)C1 ZINC000913278970 630422632 /nfs/dbraw/zinc/42/26/32/630422632.db2.gz NNRFNMUITXCPDT-OIISXLGYSA-N 2 0 291.439 1.413 10 0 CDAERP C[C@@H]1[C@H](NC(=O)NCC2([NH+](C)C)CCCCC2)CC[N@@H+]1C ZINC000913868147 630855572 /nfs/dbraw/zinc/85/55/72/630855572.db2.gz YDPQTVFMPCPFNG-ZIAGYGMSSA-N 2 0 296.459 1.643 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000916874324 632096781 /nfs/dbraw/zinc/09/67/81/632096781.db2.gz VTNKYCCYXWSNHC-ILXRZTDVSA-N 2 0 296.459 1.499 10 0 CDAERP C[N@@H+]1CC[C@H]2CN(C(=O)CC[NH2+]C(C)(C)C)C[C@H]2C1 ZINC000311729586 695646328 /nfs/dbraw/zinc/64/63/28/695646328.db2.gz YRSKXTOOLLMGAZ-QWHCGFSZSA-N 2 0 267.417 1.175 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@H](C[NH3+])C2CCCCC2)CC[NH2+]1 ZINC000262337726 695850155 /nfs/dbraw/zinc/85/01/55/695850155.db2.gz GIUGVPFLBBDBPI-FPMFFAJLSA-N 2 0 267.417 1.398 10 0 CDAERP COC[C@H](C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1)C(C)C ZINC000931067874 695894640 /nfs/dbraw/zinc/89/46/40/695894640.db2.gz UCDOAIWBQBHNTO-HOCLYGCPSA-N 2 0 284.444 1.436 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC[C@H](O)C[NH+]1CCCC1 ZINC000852715252 695223042 /nfs/dbraw/zinc/22/30/42/695223042.db2.gz FOHMPURDHDZOEZ-AWEZNQCLSA-N 2 0 271.449 1.153 10 0 CDAERP CC(C)[NH+]1CCC(N[C@H]2C[N@@H+]3C[C@@H]2CCC3)CC1 ZINC000925302823 695236834 /nfs/dbraw/zinc/23/68/34/695236834.db2.gz IYRVHBXTCXBSEH-ZFWWWQNUSA-N 2 0 251.418 1.543 10 0 CDAERP C[C@H]1C[N@H+](CC(=O)N(C)Cc2cccs2)CC[C@H]1C[NH3+] ZINC000923504668 695260118 /nfs/dbraw/zinc/26/01/18/695260118.db2.gz SKKCFWYPSOLSQO-STQMWFEESA-N 2 0 295.452 1.623 10 0 CDAERP C[NH+](C)CCc1ccc(C(=O)N[C@H]2CCC[N@H+](C)C2)cc1 ZINC000847447355 695288968 /nfs/dbraw/zinc/28/89/68/695288968.db2.gz AXLGTTRFDFLIJL-INIZCTEOSA-N 2 0 289.423 1.615 10 0 CDAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1CC1CC[NH+](C)CC1 ZINC000251734452 695290380 /nfs/dbraw/zinc/29/03/80/695290380.db2.gz KMINQGDVYLLSKQ-ZFWWWQNUSA-N 2 0 251.418 1.497 10 0 CDAERP C[C@H]1CC[C@H](C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000870021572 695313759 /nfs/dbraw/zinc/31/37/59/695313759.db2.gz IGHXJLPKIUKQBJ-CAOSSQGBSA-N 2 0 295.471 1.620 10 0 CDAERP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](Cc2cccs2)C1 ZINC000872254488 695320464 /nfs/dbraw/zinc/32/04/64/695320464.db2.gz FOIVYYMOMMUQHR-KGYLQXTDSA-N 2 0 293.392 1.115 10 0 CDAERP CC1(C)C[C@@H]([NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)C[C@@H]([NH3+])C1 ZINC000925714261 695325460 /nfs/dbraw/zinc/32/54/60/695325460.db2.gz OTXWZPAZYYCEFI-NTZNESFSSA-N 2 0 281.400 1.465 10 0 CDAERP COc1ccccc1[C@H](O)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000817893139 695327852 /nfs/dbraw/zinc/32/78/52/695327852.db2.gz QJSPGHBVKIIWRZ-SSDMNJCBSA-N 2 0 278.396 1.836 10 0 CDAERP CC[C@@H]([NH2+]CCC[N@H+](C)CCOC)[C@H]1CCCOC1 ZINC000872022523 695328456 /nfs/dbraw/zinc/32/84/56/695328456.db2.gz JHHCJGLNHNCHSG-LSDHHAIUSA-N 2 0 272.433 1.750 10 0 CDAERP CO[C@H]1C[C@@H](C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)C1 ZINC000872143148 695345949 /nfs/dbraw/zinc/34/59/49/695345949.db2.gz MUDXKTWFFCSHQT-APIJFGDWSA-N 2 0 252.402 1.875 10 0 CDAERP Cn1nnc2c1C[C@H]([NH2+][C@H]1[C@@H]3CCC[NH2+][C@@H]3C1(C)C)CC2 ZINC000925893861 695360962 /nfs/dbraw/zinc/36/09/62/695360962.db2.gz RNRPFKILDBWLCY-FIXIBIHLSA-N 2 0 289.427 1.039 10 0 CDAERP C[NH+](C)C[C@@H]1CN(C(=O)C(C)(C)C2CC2)C[C@H]1C[NH+](C)C ZINC000870018889 695361069 /nfs/dbraw/zinc/36/10/69/695361069.db2.gz YRWWASJRHPEVBX-ZIAGYGMSSA-N 2 0 295.471 1.620 10 0 CDAERP Cc1cccc(OC[C@@H](O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000923515349 695377554 /nfs/dbraw/zinc/37/75/54/695377554.db2.gz QZQROBDICPBDOJ-KFWWJZLASA-N 2 0 278.396 1.261 10 0 CDAERP CC1([NH+]2CCC2)CCC([NH2+][C@@H]2CCCNC(=O)C2)CC1 ZINC000927038339 695379943 /nfs/dbraw/zinc/37/99/43/695379943.db2.gz PPMFPLOGSMZIAT-NPCAHTBFSA-N 2 0 279.428 1.652 10 0 CDAERP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCC(=O)NCC1CCCCC1)C2 ZINC000872153267 695420199 /nfs/dbraw/zinc/42/01/99/695420199.db2.gz GBRRNEGMBRKPFA-DOTOQJQBSA-N 2 0 293.455 1.614 10 0 CDAERP COCCC[C@@H](C)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925849927 695432885 /nfs/dbraw/zinc/43/28/85/695432885.db2.gz FWUVIROZTZPZQQ-OLZOCXBDSA-N 2 0 284.400 1.076 10 0 CDAERP C1C[C@@H]2CO[C@H](c3noc([C@@H]4CCCCN4)n3)CN2C1 ZINC000091685536 695446833 /nfs/dbraw/zinc/44/68/33/695446833.db2.gz MFFVMMCAVAQFKZ-WOPDTQHZSA-N 2 0 278.356 1.420 10 0 CDAERP COC1CC(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)C1 ZINC000703822871 695470600 /nfs/dbraw/zinc/47/06/00/695470600.db2.gz DJTNNWDKKRSSFS-HXSCFSKGSA-N 2 0 252.402 1.875 10 0 CDAERP C[C@H]([NH2+]C[C@H](O)c1ccc(F)cn1)C1=CC[N@H+](C)CC1 ZINC000819220914 695479479 /nfs/dbraw/zinc/47/94/79/695479479.db2.gz TYNDXTWVKZKQGJ-NHYWBVRUSA-N 2 0 279.359 1.494 10 0 CDAERP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CCCCCCO)C1 ZINC000846227272 695522818 /nfs/dbraw/zinc/52/28/18/695522818.db2.gz MAAZNVPZUGWPEZ-BZUAXINKSA-N 2 0 284.444 1.900 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000713007707 695573460 /nfs/dbraw/zinc/57/34/60/695573460.db2.gz HAYZNAJCVRTWDS-KGLIPLIRSA-N 2 0 283.460 1.842 10 0 CDAERP C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2)CC[C@H]1C[NH3+] ZINC000923498970 695578915 /nfs/dbraw/zinc/57/89/15/695578915.db2.gz JKZCIVSUMVKORN-QLFBSQMISA-N 2 0 278.396 1.343 10 0 CDAERP Cn1ccc(C[NH2+]C2CCC(C)([NH+](C)C)CC2)n1 ZINC000715553001 695593645 /nfs/dbraw/zinc/59/36/45/695593645.db2.gz PZMSLCGWEZEEEC-UHFFFAOYSA-N 2 0 250.390 1.773 10 0 CDAERP C[C@@H]1CC[C@H](C[NH3+])N(C[C@@H]2C[C@@H]3COC[C@@H]3O2)[C@@H]1C ZINC000724597321 695619050 /nfs/dbraw/zinc/61/90/50/695619050.db2.gz BSOCNANGJCBDER-MBIARJLFSA-N 2 0 268.401 1.238 10 0 CDAERP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@@H](C)[NH2+]CCCF ZINC001725087721 1159027883 /nfs/dbraw/zinc/02/78/83/1159027883.db2.gz HXCHBMDKJYEAQM-VXGBXAGGSA-N 2 0 273.396 1.313 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000874468729 695668079 /nfs/dbraw/zinc/66/80/79/695668079.db2.gz PLZKJFPCGRDNDU-STQMWFEESA-N 2 0 255.406 1.031 10 0 CDAERP CC(C)COC[C@@H](O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923329166 695676707 /nfs/dbraw/zinc/67/67/07/695676707.db2.gz PDPCTQKFQDLIIE-IXXDHKBRSA-N 2 0 270.417 1.235 10 0 CDAERP C1C[C@@H]2C[C@H]([NH2+][C@@H]3CCC[NH2+]CC3)CC[C@H]2CO1 ZINC000723648594 695691446 /nfs/dbraw/zinc/69/14/46/695691446.db2.gz VYQCRLKJAJHNKV-LXTVHRRPSA-N 2 0 252.402 1.923 10 0 CDAERP CS[C@H](CO)[C@H](C)[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925611380 695719649 /nfs/dbraw/zinc/71/96/49/695719649.db2.gz LXYVKZYLBMAMBF-QWQWKMKNSA-N 2 0 272.458 1.465 10 0 CDAERP Cc1cnc([C@@H](C)[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)o1 ZINC000923451280 695721359 /nfs/dbraw/zinc/72/13/59/695721359.db2.gz KYFDOKNZYAKYFZ-OLZOCXBDSA-N 2 0 279.384 1.874 10 0 CDAERP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000926337281 695777791 /nfs/dbraw/zinc/77/77/91/695777791.db2.gz NHHOZDCYCIYYMZ-LMRVLLHPSA-N 2 0 279.428 1.650 10 0 CDAERP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@H]1CC[NH2+]C12CCC2 ZINC000925502067 695778338 /nfs/dbraw/zinc/77/83/38/695778338.db2.gz DVKKCWZMCOTGHM-KFWWJZLASA-N 2 0 265.445 1.981 10 0 CDAERP CC[C@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)[C@@H]1CCCOC1 ZINC000872087029 695799134 /nfs/dbraw/zinc/79/91/34/695799134.db2.gz FCOZJHOOWFBMMU-ILXRZTDVSA-N 2 0 297.443 1.121 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000925808569 695802445 /nfs/dbraw/zinc/80/24/45/695802445.db2.gz YWFDJTYAJMGNIW-IMSYWVGJSA-N 2 0 252.280 1.566 10 0 CDAERP CC[NH+]1CCN(CC(C)(C)[NH2+]C/C=C(\C)COC)CC1 ZINC000930663212 695803592 /nfs/dbraw/zinc/80/35/92/695803592.db2.gz GEVZJRMYAJACJP-VIZOYTHASA-N 2 0 283.460 1.585 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000928835348 695821284 /nfs/dbraw/zinc/82/12/84/695821284.db2.gz KSCHVPNRTNCLPR-OAHLLOKOSA-N 2 0 292.427 1.531 10 0 CDAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CCc1ccns1)CC2 ZINC000923447209 695828690 /nfs/dbraw/zinc/82/86/90/695828690.db2.gz QKZBHODWUPJWDE-GFCCVEGCSA-N 2 0 281.425 1.515 10 0 CDAERP C[C@H]1C[N@H+](CC(=O)N2CCc3ccccc32)CC[C@@H]1C[NH3+] ZINC000923507939 695838605 /nfs/dbraw/zinc/83/86/05/695838605.db2.gz LJQUYSLHZDPQFS-DZGCQCFKSA-N 2 0 287.407 1.492 10 0 CDAERP CC(C)C[C@H]([NH3+])Cc1nc([C@H]2CN3CCC[C@H]3CO2)no1 ZINC000251421108 695839276 /nfs/dbraw/zinc/83/92/76/695839276.db2.gz PUESZFHUXCWZBI-RWMBFGLXSA-N 2 0 294.399 1.521 10 0 CDAERP [NH3+][C@H]1CCC[C@@H]([NH2+]C[C@]23OCCC[C@H]2C3(F)F)C1 ZINC000854229275 695839614 /nfs/dbraw/zinc/83/96/14/695839614.db2.gz JTKKNWOXMZPNJJ-QCNOEVLYSA-N 2 0 260.328 1.660 10 0 CDAERP Nc1cccc(CN2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000872151993 695840078 /nfs/dbraw/zinc/84/00/78/695840078.db2.gz OGMGOVPKBDUZBH-JQWIXIFHSA-N 2 0 273.302 1.838 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C/C(C)=C/C(=O)OC)[C@H](C)C1 ZINC000929998124 695843600 /nfs/dbraw/zinc/84/36/00/695843600.db2.gz BYCKKMOXDXFRDU-NEKXEHSPSA-N 2 0 268.401 1.768 10 0 CDAERP CO[C@H](C[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)C1CCC1 ZINC000872148354 695846747 /nfs/dbraw/zinc/84/67/47/695846747.db2.gz CFSQMDXYAQOOGD-GRYCIOLGSA-N 2 0 280.334 1.871 10 0 CDAERP CC(C)CN(C)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867591011 695849559 /nfs/dbraw/zinc/84/95/59/695849559.db2.gz XCDLFAYXVPKXOG-HUUCEWRRSA-N 2 0 298.475 1.365 10 0 CDAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)CC1 ZINC000923495053 695864335 /nfs/dbraw/zinc/86/43/35/695864335.db2.gz SNYXCOOMDDGFCV-IAGOWNOFSA-N 3 0 296.503 1.319 10 0 CDAERP O[C@H](C[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1)C[NH+]1CCCC1 ZINC000711841720 695865192 /nfs/dbraw/zinc/86/51/92/695865192.db2.gz JVURGNOVKQSWRR-OAGGEKHMSA-N 2 0 282.428 1.238 10 0 CDAERP CC[N@H+](CCNC(=O)N[C@@H]1CC[NH2+]C12CCC2)C(C)C ZINC000861570023 695875814 /nfs/dbraw/zinc/87/58/14/695875814.db2.gz JNQBEXACKSUGLQ-CYBMUJFWSA-N 2 0 282.432 1.301 10 0 CDAERP CN(CCC[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1)CC[NH+](C)C ZINC000922273289 695875822 /nfs/dbraw/zinc/87/58/22/695875822.db2.gz DFIJQHVZSDYDCR-YESZJQIVSA-N 2 0 297.487 1.665 10 0 CDAERP C[C@@H]1[C@H](NC(=O)NCc2cc(N(C)C)cc[nH+]2)CC[N@@H+]1C ZINC000924676893 695876129 /nfs/dbraw/zinc/87/61/29/695876129.db2.gz IANXGKPGWKBJDH-BXUZGUMPSA-N 2 0 291.399 1.039 10 0 CDAERP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925851003 695881463 /nfs/dbraw/zinc/88/14/63/695881463.db2.gz AZIIGGJMJJLZSO-XQQFMLRXSA-N 2 0 268.401 1.696 10 0 CDAERP CC[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)[C@H]1CCOC1 ZINC000925856105 695884212 /nfs/dbraw/zinc/88/42/12/695884212.db2.gz WJCOVZQQDWDIQW-IHRRRGAJSA-N 2 0 296.411 1.076 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CNC(=[NH2+])NC[C@@H]2CCCO2)C1 ZINC000848996462 695907172 /nfs/dbraw/zinc/90/71/72/695907172.db2.gz WEGPMAMHLZGOOB-STQMWFEESA-N 2 0 268.405 1.010 10 0 CDAERP C[NH+]1CCC(C[NH2+]C[C@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000715484129 695930216 /nfs/dbraw/zinc/93/02/16/695930216.db2.gz UKXDGPWOCIIVEA-CABCVRRESA-N 2 0 252.402 1.875 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)c2[nH]nc3c2C[NH2+]CC3)cc1 ZINC000446145673 695934045 /nfs/dbraw/zinc/93/40/45/695934045.db2.gz RHQUVVXJDGLLQL-JTQLQIEISA-N 2 0 299.378 1.005 10 0 CDAERP CC(=O)NCC1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000865416974 695935540 /nfs/dbraw/zinc/93/55/40/695935540.db2.gz SMZMQMOXSNMCCT-SJJHQCBESA-N 2 0 293.455 1.898 10 0 CDAERP COc1cc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)sn1 ZINC000923492085 695935561 /nfs/dbraw/zinc/93/55/61/695935561.db2.gz VSLISIAPTMAXPJ-NXEZZACHSA-N 2 0 255.387 1.568 10 0 CDAERP CC[C@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)[C@@H]1CCCOC1 ZINC000872062238 695954554 /nfs/dbraw/zinc/95/45/54/695954554.db2.gz FBGNVCBPCMDSII-BBWFWOEESA-N 2 0 297.487 1.807 10 0 CDAERP Cn1ncc(CCC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)n1 ZINC000925677836 695958191 /nfs/dbraw/zinc/95/81/91/695958191.db2.gz QUDPYVHJNZQYJB-HOTGVXAUSA-N 2 0 291.443 1.506 10 0 CDAERP C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)(C)C[NH+](C)C ZINC000921388271 695964653 /nfs/dbraw/zinc/96/46/53/695964653.db2.gz DVXGSIQJQDWVMW-FRRDWIJNSA-N 2 0 284.448 1.355 10 0 CDAERP C[C@H]1C[N@H+](CC(=O)N(C)c2ccccc2)CC[C@@H]1C[NH3+] ZINC000923510660 695972660 /nfs/dbraw/zinc/97/26/60/695972660.db2.gz WFHYPLNWSURYPX-UONOGXRCSA-N 2 0 275.396 1.566 10 0 CDAERP C[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2)C1CC[NH+](C)CC1 ZINC000866448854 695973710 /nfs/dbraw/zinc/97/37/10/695973710.db2.gz XNNKBSAQNLYRKZ-AGQWEPENSA-N 2 0 264.413 1.730 10 0 CDAERP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872275924 695980753 /nfs/dbraw/zinc/98/07/53/695980753.db2.gz LZYOZSVSKAZRFV-WBVHZDCISA-N 2 0 296.455 1.867 10 0 CDAERP C[N@H+]1CC=C(C[NH2+]Cc2cc3c(cc[nH]c3=O)o2)CC1 ZINC000865521889 695998455 /nfs/dbraw/zinc/99/84/55/695998455.db2.gz GRJUOLMMNKORBH-UHFFFAOYSA-N 2 0 273.336 1.885 10 0 CDAERP CC(C)[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000925011053 696001969 /nfs/dbraw/zinc/00/19/69/696001969.db2.gz PJBRLJSXZJTUAV-QLFBSQMISA-N 2 0 254.418 1.979 10 0 CDAERP C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2F)CC[C@@H]1C[NH3+] ZINC000923492347 696055671 /nfs/dbraw/zinc/05/56/71/696055671.db2.gz NBVNOOOENXARTI-MCIONIFRSA-N 2 0 296.386 1.482 10 0 CDAERP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712618021 696055927 /nfs/dbraw/zinc/05/59/27/696055927.db2.gz QIBCRIKWJVJLKC-ZDUSSCGKSA-N 2 0 283.460 1.953 10 0 CDAERP Cc1ncoc1C[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001691365261 1159040964 /nfs/dbraw/zinc/04/09/64/1159040964.db2.gz USDQJTBJADNRAW-ZDUSSCGKSA-N 2 0 294.399 1.015 10 0 CDAERP CN1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCC1=O ZINC000820811228 696064428 /nfs/dbraw/zinc/06/44/28/696064428.db2.gz NHQJMUORFKEZKQ-IKKMQULASA-N 2 0 277.412 1.355 10 0 CDAERP CC(C)[NH+]1CCC(N(C)C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC1 ZINC000713219836 696069440 /nfs/dbraw/zinc/06/94/40/696069440.db2.gz HVLYIRWPBKFANN-WWGRRREGSA-N 2 0 279.428 1.445 10 0 CDAERP CCO[C@H](CC[NH+](C)C)CNC(=[NH2+])N1CC[C@H](CC)C1 ZINC000864459186 696072539 /nfs/dbraw/zinc/07/25/39/696072539.db2.gz CKIVQKGGAXGKOI-UONOGXRCSA-N 2 0 284.448 1.599 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000813437461 696142558 /nfs/dbraw/zinc/14/25/58/696142558.db2.gz XXTQPROGURIWNL-CJNGLKHVSA-N 2 0 299.434 1.752 10 0 CDAERP Cc1nccn1CCC[N@@H+](C)C[C@@H](O)c1ccc(F)cn1 ZINC000799309455 696143206 /nfs/dbraw/zinc/14/32/06/696143206.db2.gz HBGHAYZZMGCKEC-OAHLLOKOSA-N 2 0 292.358 1.781 10 0 CDAERP CC[NH+](CC)C[C@H]1CC[N@H+](CCC(OC)OC)C1 ZINC000851790934 696152979 /nfs/dbraw/zinc/15/29/79/696152979.db2.gz RYNGVADWAYRWKH-CYBMUJFWSA-N 2 0 258.406 1.659 10 0 CDAERP C[C@@H]1C[N@H+](C[C@@H](O)CCc2ccccc2)CC[C@@H]1C[NH3+] ZINC000923492334 696158000 /nfs/dbraw/zinc/15/80/00/696158000.db2.gz MXUHURFZCFEUIV-OIISXLGYSA-N 2 0 276.424 1.897 10 0 CDAERP C[NH2+]C[C@](C)(O)CN(C)Cc1ccc2cc[nH]c2c1 ZINC000866717590 696165540 /nfs/dbraw/zinc/16/55/40/696165540.db2.gz JOVMCJCNXOHGSM-HNNXBMFYSA-N 2 0 261.369 1.570 10 0 CDAERP [NH3+]C[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@@H]1C(F)(F)F ZINC000720869821 696204064 /nfs/dbraw/zinc/20/40/64/696204064.db2.gz FUHNJWCDCVSIDI-AXFHLTTASA-N 2 0 266.307 1.482 10 0 CDAERP c1nnc([C@H]2CCC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)n1C1CC1 ZINC001772532096 1158736292 /nfs/dbraw/zinc/73/62/92/1158736292.db2.gz SHNBQKYZIPKUAH-KGLIPLIRSA-N 2 0 289.427 1.792 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001731594104 1159315224 /nfs/dbraw/zinc/31/52/24/1159315224.db2.gz LSKZOAFAXVPIIA-MGPQQGTHSA-N 2 0 267.417 1.387 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2[NH2+]1)[NH+](C)C ZINC000251092523 1159728910 /nfs/dbraw/zinc/72/89/10/1159728910.db2.gz KKRIBYVZWOJFAY-RQJABVFESA-N 2 0 267.417 1.364 10 0 CDAERP CCOCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001482054183 1159969853 /nfs/dbraw/zinc/96/98/53/1159969853.db2.gz HKGWKGQTASYCAQ-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP Cc1oncc1C[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001482364173 1160179545 /nfs/dbraw/zinc/17/95/45/1160179545.db2.gz COOOKVGLRDSMKH-GFCCVEGCSA-N 2 0 294.399 1.015 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)c2ccc(F)cn2)C1 ZINC000818985378 1164195685 /nfs/dbraw/zinc/19/56/85/1164195685.db2.gz RZSJEMBZVWZIPK-XJKSGUPXSA-N 2 0 295.402 1.964 10 0 CDAERP CC[C@H]1CCN(C(=[NH2+])NC[C@H](C2CC2)[NH+](C)C)C1 ZINC000864455135 1164545468 /nfs/dbraw/zinc/54/54/68/1164545468.db2.gz HJBAMHXMKFVBBH-WCQYABFASA-N 2 0 252.406 1.583 10 0 CDAERP CC(C)[N@H+](C)CCCNC(=O)[C@H](C)CC[NH+](C)C ZINC001624331445 1165834441 /nfs/dbraw/zinc/83/44/41/1165834441.db2.gz UOBMLAUKGMBZHT-CYBMUJFWSA-N 2 0 257.422 1.421 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@H](C)CC[NH+](C)C)CC1 ZINC001624380296 1165836467 /nfs/dbraw/zinc/83/64/67/1165836467.db2.gz GWZVGRXFMASHJK-CYBMUJFWSA-N 2 0 269.433 1.565 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC[C@H]2CC[N@H+](C)C2)C1 ZINC001625288000 1165897039 /nfs/dbraw/zinc/89/70/39/1165897039.db2.gz LCOAXUSCOWNGKA-MGPQQGTHSA-N 2 0 267.417 1.175 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001628265274 1166056999 /nfs/dbraw/zinc/05/69/99/1166056999.db2.gz NKRDFKKDBVJEQG-RDBSUJKOSA-N 2 0 269.433 1.563 10 0 CDAERP [NH3+][C@@H]1CN(C(=O)[C@H]2CCCC[C@@H]2[NH3+])C[C@H]1c1ccccc1 ZINC001645879112 1167548945 /nfs/dbraw/zinc/54/89/45/1167548945.db2.gz FEBDIMKFLXCVHO-YHUYYLMFSA-N 2 0 287.407 1.457 10 0 CDAERP C[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C[NH2+]CCCF)C1 ZINC001565971987 1168207961 /nfs/dbraw/zinc/20/79/61/1168207961.db2.gz VEGCMYWRJKQTAR-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP COCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001566910313 1168462656 /nfs/dbraw/zinc/46/26/56/1168462656.db2.gz QCESVEVPNBGKMS-LSDHHAIUSA-N 2 0 299.459 1.047 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCC1CC1 ZINC001567027537 1168518722 /nfs/dbraw/zinc/51/87/22/1168518722.db2.gz CKLNWIWCPLEAEQ-TZMCWYRMSA-N 2 0 267.417 1.365 10 0 CDAERP CC[NH2+]CCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001567589278 1168876068 /nfs/dbraw/zinc/87/60/68/1168876068.db2.gz GKVNAWZXOPLWAW-QWHCGFSZSA-N 2 0 255.406 1.175 10 0 CDAERP CC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@H]21 ZINC001568516415 1169341414 /nfs/dbraw/zinc/34/14/14/1169341414.db2.gz WZLOPCXMZQQBFL-UONOGXRCSA-N 2 0 267.417 1.269 10 0 CDAERP CCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC001649858254 1169440573 /nfs/dbraw/zinc/44/05/73/1169440573.db2.gz SEWKHQZGQNHXCA-NVXWUHKLSA-N 2 0 293.455 1.853 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC/C=C/C[NH2+]C/C=C/Cl)CC[N@@H+]1C ZINC001568853214 1169520533 /nfs/dbraw/zinc/52/05/33/1169520533.db2.gz CGAYGQBZZWUDLD-CVZXRYAUSA-N 2 0 299.846 1.731 10 0 CDAERP CC(C)=CC[NH2+]C/C=C/CNC(=O)CC1CC[NH+](C)CC1 ZINC001568930583 1169553016 /nfs/dbraw/zinc/55/30/16/1169553016.db2.gz JVMVPBQHTIWTHR-SNAWJCMRSA-N 2 0 293.455 1.947 10 0 CDAERP CCC/C=C/CC[NH2+]C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001569030287 1169603542 /nfs/dbraw/zinc/60/35/42/1169603542.db2.gz LCWFUFGIWWHDLO-LLYBFZRZSA-N 2 0 293.455 1.923 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CC[NH+]2CCCCCF)C1 ZINC001569379564 1169828159 /nfs/dbraw/zinc/82/81/59/1169828159.db2.gz DCABAAGUNSLJLD-LSDHHAIUSA-N 2 0 299.434 1.659 10 0 CDAERP CO[C@@H](C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1)C1CCC1 ZINC001655277509 1171683365 /nfs/dbraw/zinc/68/33/65/1171683365.db2.gz AIPAMCQOUJCYOS-ILXRZTDVSA-N 2 0 252.402 1.685 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]1C(C)C ZINC001663547199 1172720509 /nfs/dbraw/zinc/72/05/09/1172720509.db2.gz BGELJVQBFKANLW-CYBMUJFWSA-N 2 0 255.406 1.316 10 0 CDAERP CCC[NH2+]CC1(NC(=O)[C@H]2C[NH+]3CCC2CC3)CCCC1 ZINC001665921133 1173087446 /nfs/dbraw/zinc/08/74/46/1173087446.db2.gz AIRZSIMPBWCLTN-HNNXBMFYSA-N 2 0 293.455 1.757 10 0 CDAERP C[N@H+](CC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CCF)C1CCC1 ZINC001669955042 1173638285 /nfs/dbraw/zinc/63/82/85/1173638285.db2.gz DZNXYJMIZOGXFH-DZGCQCFKSA-N 2 0 299.434 1.705 10 0 CDAERP CC[C@H](C)C[NH2+]C1(CNC(=O)CC[NH+](C)C)CCC1 ZINC001673205842 1173836129 /nfs/dbraw/zinc/83/61/29/1173836129.db2.gz HXFRPOOIQUTCED-ZDUSSCGKSA-N 2 0 269.433 1.613 10 0 CDAERP CCC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001673997546 1173904647 /nfs/dbraw/zinc/90/46/47/1173904647.db2.gz UZTVLBUIRLVXKM-ZDUSSCGKSA-N 2 0 267.417 1.319 10 0 CDAERP CC[C@H](C(=O)N(C)C1CCC([NH2+]CCCO)CC1)[NH+](C)C ZINC001674808537 1174012082 /nfs/dbraw/zinc/01/20/82/1174012082.db2.gz HWYSIMCPSOIMJJ-YMAMQOFZSA-N 2 0 299.459 1.068 10 0 CDAERP CC(C)=CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001674926413 1174038035 /nfs/dbraw/zinc/03/80/35/1174038035.db2.gz ZOBIWMBWGJFTLM-GOEBONIOSA-N 2 0 293.455 1.731 10 0 CDAERP CCC[NH2+][C@H]1CN(C(=O)CC[N@H+](C)CC)CC1(C)C ZINC001677032374 1174308847 /nfs/dbraw/zinc/30/88/47/1174308847.db2.gz CLAMDZMTIHVFEB-ZDUSSCGKSA-N 2 0 269.433 1.565 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H](C)COC ZINC001689933023 1175314262 /nfs/dbraw/zinc/31/42/62/1175314262.db2.gz XRXBUMNUAPNWAO-RBSFLKMASA-N 2 0 299.459 1.190 10 0 CDAERP CCC/C=C/CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001690366962 1175451557 /nfs/dbraw/zinc/45/15/57/1175451557.db2.gz WNSZKQTWXZJAOI-YHGKZGMESA-N 2 0 293.455 1.921 10 0 CDAERP CC(C)OCC[NH2+][C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001690634288 1175530639 /nfs/dbraw/zinc/53/06/39/1175530639.db2.gz VEFYHXSJTPRZRA-HNNXBMFYSA-N 2 0 299.459 1.238 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001690750679 1175563748 /nfs/dbraw/zinc/56/37/48/1175563748.db2.gz BUOWGUGSAHQJJH-OAHLLOKOSA-N 2 0 283.460 1.812 10 0 CDAERP CCC[NH2+][C@H](C)CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001690846738 1175589007 /nfs/dbraw/zinc/58/90/07/1175589007.db2.gz PSBHKOBAKIEWMT-ZIAGYGMSSA-N 2 0 269.433 1.755 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CCCF ZINC001690890512 1175601831 /nfs/dbraw/zinc/60/18/31/1175601831.db2.gz VLXYGOXWMSBQMU-CABCVRRESA-N 2 0 299.434 1.801 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[C@H]1CCC[NH+]1CCF ZINC001690901261 1175604690 /nfs/dbraw/zinc/60/46/90/1175604690.db2.gz FSDKFWBENXVHJM-LSDHHAIUSA-N 2 0 299.434 1.801 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NCC2C[NH+](CCCCCF)C2)C1 ZINC001692335379 1175739055 /nfs/dbraw/zinc/73/90/55/1175739055.db2.gz KGZMZRSZIFVUPE-AWEZNQCLSA-N 2 0 299.434 1.516 10 0 CDAERP CC(C)C[C@H](C[NH2+]CCCF)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001698881021 1175975737 /nfs/dbraw/zinc/97/57/37/1175975737.db2.gz XLDSTIVCPVYNIR-ZIAGYGMSSA-N 2 0 287.423 1.418 10 0 CDAERP CC(C)C[N@H+](C)CCN(C)C(=O)C[NH+](C)C(C)C ZINC001699011272 1176039350 /nfs/dbraw/zinc/03/93/50/1176039350.db2.gz UBDGDKVJRUKJQQ-UHFFFAOYSA-N 2 0 257.422 1.373 10 0 CDAERP CC[C@H](F)C[NH2+]CCN(CC)C(=O)Cn1ccnc1C ZINC001699217555 1176144518 /nfs/dbraw/zinc/14/45/18/1176144518.db2.gz LYQYYLNOQIQXOE-ZDUSSCGKSA-N 2 0 284.379 1.378 10 0 CDAERP C[C@@H](C[NH2+]C/C=C/Cl)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001699421912 1176385409 /nfs/dbraw/zinc/38/54/09/1176385409.db2.gz CWKWKMMZKPROBZ-CHULQOHASA-N 2 0 273.808 1.175 10 0 CDAERP CC(C)[C@H](C(=O)N[C@@H](C[NH2+]CCF)C1CC1)[NH+](C)C ZINC001699589480 1176477069 /nfs/dbraw/zinc/47/70/69/1176477069.db2.gz JUBGHMGDOXDFHN-QWHCGFSZSA-N 2 0 273.396 1.027 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCCOC)C[C@H]1C ZINC001699738747 1176596701 /nfs/dbraw/zinc/59/67/01/1176596701.db2.gz MFCRISLTVGIVLA-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP CCOCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001699742954 1176600740 /nfs/dbraw/zinc/60/07/40/1176600740.db2.gz KGSRNGNSBLAYCJ-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@]1(C)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001699857685 1176658729 /nfs/dbraw/zinc/65/87/29/1176658729.db2.gz UZADTRIBWGDGAH-HOCLYGCPSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)CC[NH2+]CC[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001700075547 1176740393 /nfs/dbraw/zinc/74/03/93/1176740393.db2.gz ICHRBLKGKYFUBG-HNNXBMFYSA-N 2 0 283.460 1.812 10 0 CDAERP CCCCC[NH2+][C@@H](C)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001700608345 1177034899 /nfs/dbraw/zinc/03/48/99/1177034899.db2.gz ARUYGPAUJJXQHA-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP CCCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001701029002 1177245464 /nfs/dbraw/zinc/24/54/64/1177245464.db2.gz IAAPQKNJOXSNCI-IYXRBSQSSA-N 2 0 267.417 1.317 10 0 CDAERP CC[N@@H+](C/C=C/Cl)CCCNC(=O)Cc1ncc[nH]1 ZINC001707465465 1178061751 /nfs/dbraw/zinc/06/17/51/1178061751.db2.gz DIINTJDMHLQUJA-HWKANZROSA-N 2 0 284.791 1.533 10 0 CDAERP CCc1ccccc1C[NH2+]CCOCC[NH+](C)C ZINC000234117319 1178214372 /nfs/dbraw/zinc/21/43/72/1178214372.db2.gz NTRXBFYCCZDMPU-UHFFFAOYSA-N 2 0 250.386 1.917 10 0 CDAERP C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)CC1CCC1 ZINC001712939405 1178251581 /nfs/dbraw/zinc/25/15/81/1178251581.db2.gz LUCQRXQYHRAHEL-CQSZACIVSA-N 2 0 267.417 1.319 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCCF)C1 ZINC001713194493 1178424148 /nfs/dbraw/zinc/42/41/48/1178424148.db2.gz CAEPSCBLUYYJNC-FRRDWIJNSA-N 2 0 271.380 1.067 10 0 CDAERP CCC[NH2+]C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001713353083 1178516053 /nfs/dbraw/zinc/51/60/53/1178516053.db2.gz KZTYRGXKGDXAHC-CYBMUJFWSA-N 2 0 255.406 1.176 10 0 CDAERP CC(C)[NH2+][C@H](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001713420337 1178551685 /nfs/dbraw/zinc/55/16/85/1178551685.db2.gz RSWGQAZXDAFFMV-OLZOCXBDSA-N 2 0 255.406 1.221 10 0 CDAERP CN(CC[NH2+]CCC1CCCC1)C(=O)C12CC[NH+](CC1)C2 ZINC001713655297 1178698098 /nfs/dbraw/zinc/69/80/98/1178698098.db2.gz YHSOKYKMMLFGCW-UHFFFAOYSA-N 2 0 293.455 1.711 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001713790303 1178754968 /nfs/dbraw/zinc/75/49/68/1178754968.db2.gz YAWAPVUWQQCGDB-CHWSQXEVSA-N 2 0 255.406 1.317 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCC2CC2)C1 ZINC001713838601 1178787829 /nfs/dbraw/zinc/78/78/29/1178787829.db2.gz UZVXSUFDYPQUBN-CQSZACIVSA-N 2 0 267.417 1.317 10 0 CDAERP COCCCC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001714023947 1178932299 /nfs/dbraw/zinc/93/22/99/1178932299.db2.gz AXKYBNPAFXDSHE-HNNXBMFYSA-N 2 0 297.443 1.042 10 0 CDAERP CCCCC[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001714043627 1178943451 /nfs/dbraw/zinc/94/34/51/1178943451.db2.gz XPEGIXSTPKORAA-HNNXBMFYSA-N 2 0 283.460 1.957 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CCCOC ZINC001714099767 1178971314 /nfs/dbraw/zinc/97/13/14/1178971314.db2.gz RYQHVQRUZHDPDV-SOUVJXGZSA-N 2 0 299.459 1.238 10 0 CDAERP C[C@@H](C[NH2+]CCCF)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001714675858 1179316910 /nfs/dbraw/zinc/31/69/10/1179316910.db2.gz UZMAQRXKJYXHCZ-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP CC[C@H](C)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001714689313 1179331472 /nfs/dbraw/zinc/33/14/72/1179331472.db2.gz CUVZIIAJTQFANK-STQMWFEESA-N 2 0 255.406 1.175 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001714748490 1179374969 /nfs/dbraw/zinc/37/49/69/1179374969.db2.gz QBGMLLMHGQNBOE-CQSZACIVSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)OCC[NH2+]CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001714797006 1179402369 /nfs/dbraw/zinc/40/23/69/1179402369.db2.gz JHANWNNRRBKRLN-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NC1(C[NH2+]CCCF)CCCC1 ZINC001715093052 1179549776 /nfs/dbraw/zinc/54/97/76/1179549776.db2.gz XNBWXCVSIFKHDY-CYBMUJFWSA-N 2 0 285.407 1.459 10 0 CDAERP CC(C)C[NH2+]CC[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001715151402 1179565627 /nfs/dbraw/zinc/56/56/27/1179565627.db2.gz JNLFHPTUWASMCF-OAHLLOKOSA-N 2 0 283.460 1.812 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]CC1CC1 ZINC001715207795 1179576379 /nfs/dbraw/zinc/57/63/79/1179576379.db2.gz YXIFVKLAXLZLFU-HZPDHXFCSA-N 2 0 293.455 1.851 10 0 CDAERP C[NH+](C)CCCC(=O)N1CCCC[C@H]1CC[NH2+]CCF ZINC001715215861 1179579557 /nfs/dbraw/zinc/57/95/57/1179579557.db2.gz UVGAFEGPYDPIMG-AWEZNQCLSA-N 2 0 287.423 1.659 10 0 CDAERP C[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)[C@H]1C[NH2+]CCF ZINC001715384126 1179652653 /nfs/dbraw/zinc/65/26/53/1179652653.db2.gz IKGOHFSRQULKFT-ZFWWWQNUSA-N 2 0 299.434 1.657 10 0 CDAERP CCCC[NH2+][C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001715496292 1179682674 /nfs/dbraw/zinc/68/26/74/1179682674.db2.gz RSRUJJYHVQPQTP-CVEARBPZSA-N 2 0 295.471 1.859 10 0 CDAERP CCCCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001715706317 1179770196 /nfs/dbraw/zinc/77/01/96/1179770196.db2.gz INSBVXPWIUMMNJ-KBPBESRZSA-N 2 0 269.433 1.613 10 0 CDAERP CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001716454610 1180219057 /nfs/dbraw/zinc/21/90/57/1180219057.db2.gz HHPOBDRUIDNYFC-QWHCGFSZSA-N 2 0 255.406 1.364 10 0 CDAERP CCOCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001716455475 1180219192 /nfs/dbraw/zinc/21/91/92/1180219192.db2.gz YAHPWHUMTZHXOZ-LSDHHAIUSA-N 2 0 299.459 1.380 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]C(C)C ZINC001716465690 1180226244 /nfs/dbraw/zinc/22/62/44/1180226244.db2.gz HISOAVZBEIMGGI-STQMWFEESA-N 2 0 255.406 1.364 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001716517849 1180263650 /nfs/dbraw/zinc/26/36/50/1180263650.db2.gz IAYHNZLAYXMDID-UONOGXRCSA-N 2 0 269.433 1.611 10 0 CDAERP CC[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001716552309 1180281471 /nfs/dbraw/zinc/28/14/71/1180281471.db2.gz DPHUOPBKOOBCQR-CQSZACIVSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H](C[NH2+]CCF)C1CC1)[NH+]1CCCC1 ZINC001716631863 1180315312 /nfs/dbraw/zinc/31/53/12/1180315312.db2.gz PPXFEUHZNSLBRR-HUUCEWRRSA-N 2 0 299.434 1.561 10 0 CDAERP CCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001716970599 1180485839 /nfs/dbraw/zinc/48/58/39/1180485839.db2.gz YGZJVEBGULBDLW-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP COCC[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CCC1 ZINC001717153362 1180551601 /nfs/dbraw/zinc/55/16/01/1180551601.db2.gz SSAQHEWALMDVTM-CQSZACIVSA-N 2 0 297.443 1.136 10 0 CDAERP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001717178831 1180561809 /nfs/dbraw/zinc/56/18/09/1180561809.db2.gz IJCWNDYRMNLZRX-IYKSTZQJSA-N 2 0 297.443 1.111 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001717177848 1180562000 /nfs/dbraw/zinc/56/20/00/1180562000.db2.gz AZQPZKZTLCOGOK-OAHLLOKOSA-N 2 0 297.443 1.111 10 0 CDAERP COCC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001717336845 1180621045 /nfs/dbraw/zinc/62/10/45/1180621045.db2.gz SPBOVNZOBSOCDC-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001717756237 1180833839 /nfs/dbraw/zinc/83/38/39/1180833839.db2.gz CMLBSWURZIFRSJ-CHWSQXEVSA-N 2 0 255.406 1.317 10 0 CDAERP CCC/C=C\CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001723482719 1181573994 /nfs/dbraw/zinc/57/39/94/1181573994.db2.gz PAJMRHVMNKKTJI-LGZALOBFSA-N 2 0 293.455 1.875 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001725112545 1181867317 /nfs/dbraw/zinc/86/73/17/1181867317.db2.gz WROKXJNFJJNYOM-STQMWFEESA-N 2 0 257.422 1.467 10 0 CDAERP C[C@@H]([NH2+]CCCF)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001725125931 1181874916 /nfs/dbraw/zinc/87/49/16/1181874916.db2.gz DBNRAAIFEJJGLZ-OLZOCXBDSA-N 2 0 287.423 1.703 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)C1C[NH+](CC=C(C)C)C1 ZINC001725265951 1181945418 /nfs/dbraw/zinc/94/54/18/1181945418.db2.gz FINTXMMIIGAJBE-CQSZACIVSA-N 2 0 281.444 1.731 10 0 CDAERP CCC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001725285596 1181951926 /nfs/dbraw/zinc/95/19/26/1181951926.db2.gz CFSCZKOZQFOXGA-LBPRGKRZSA-N 2 0 255.406 1.175 10 0 CDAERP C[C@H](O)C[NH2+]CCC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001725399293 1181988435 /nfs/dbraw/zinc/98/84/35/1181988435.db2.gz QNGSLHAHTLZKQL-KBPBESRZSA-N 2 0 299.459 1.116 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CCCF)C(C)(C)C1 ZINC001725681492 1182088634 /nfs/dbraw/zinc/08/86/34/1182088634.db2.gz OZXWMNLCSFVYFH-CYBMUJFWSA-N 2 0 287.423 1.514 10 0 CDAERP CCC[N@H+](CC)CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001731323516 1182317501 /nfs/dbraw/zinc/31/75/01/1182317501.db2.gz ZHCOGSLBFGWHAA-CQSZACIVSA-N 2 0 269.433 1.566 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+]C[C@H]1CCO[C@H](C)C1 ZINC001731987229 1182715843 /nfs/dbraw/zinc/71/58/43/1182715843.db2.gz BWMTXYNZLQPPSO-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP CCC[NH2+]C[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001732345844 1182918394 /nfs/dbraw/zinc/91/83/94/1182918394.db2.gz OUGHOMIFGICVDN-LBPRGKRZSA-N 2 0 255.406 1.223 10 0 CDAERP CCN(CC[NH2+]Cc1ccccc1F)C(=O)CC[NH+](C)C ZINC001732793040 1183126629 /nfs/dbraw/zinc/12/66/29/1183126629.db2.gz OLNQGDGKENWJGM-UHFFFAOYSA-N 2 0 295.402 1.716 10 0 CDAERP CCN(CC[NH2+]CC1CCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001732810856 1183133318 /nfs/dbraw/zinc/13/33/18/1183133318.db2.gz KQZOHQPATJNKKM-AWEZNQCLSA-N 2 0 267.417 1.176 10 0 CDAERP C[C@H](C[NH2+]CC=C(Cl)Cl)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001732949411 1183198360 /nfs/dbraw/zinc/19/83/60/1183198360.db2.gz IMMPLZZCGOZSLR-ZJUUUORDSA-N 2 0 294.226 1.494 10 0 CDAERP COCCC[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001733218975 1183347271 /nfs/dbraw/zinc/34/72/71/1183347271.db2.gz ITPRITAHGLZUDN-CQSZACIVSA-N 2 0 297.443 1.088 10 0 CDAERP C[NH+](C)CCCC(=O)N1CC[C@@](C)(C[NH2+]CCF)C1 ZINC001733436008 1183432837 /nfs/dbraw/zinc/43/28/37/1183432837.db2.gz WNYTZAYVCRSGAV-AWEZNQCLSA-N 2 0 273.396 1.126 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@H](C[NH2+]CCF)CC2)C1 ZINC001733568320 1183468325 /nfs/dbraw/zinc/46/83/25/1183468325.db2.gz DPAFPPOMXPSZJJ-KKUMJFAQSA-N 2 0 299.434 1.420 10 0 CDAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]CCC1CC1 ZINC001733851725 1183550242 /nfs/dbraw/zinc/55/02/42/1183550242.db2.gz ODURDLBJKWSREH-OCCSQVGLSA-N 2 0 267.417 1.175 10 0 CDAERP COCCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001734033353 1183625065 /nfs/dbraw/zinc/62/50/65/1183625065.db2.gz BZNJCYHVDGTUPQ-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP C[C@H](CCC[NH2+]CCF)NC(=O)C1CC[NH+](C)CC1 ZINC001734250883 1183704711 /nfs/dbraw/zinc/70/47/11/1183704711.db2.gz LDMPPXTUFAVOCN-GFCCVEGCSA-N 2 0 273.396 1.172 10 0 CDAERP CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001734331625 1183735528 /nfs/dbraw/zinc/73/55/28/1183735528.db2.gz OUPJCUPQODYADW-KBPBESRZSA-N 2 0 269.433 1.563 10 0 CDAERP C[NH+](C)[C@@H]1CCC[N@H+](C[C@H](O)CCC2(O)CCC2)CC1 ZINC001771952301 1186977806 /nfs/dbraw/zinc/97/78/06/1186977806.db2.gz QOIZAJWHIWWESQ-HUUCEWRRSA-N 2 0 284.444 1.459 10 0 CDAERP CCN(C(=O)NCC1([NH+](C)C)CC1)[C@H]1CC[N@H+](CC)C1 ZINC000922985901 725296850 /nfs/dbraw/zinc/29/68/50/725296850.db2.gz NFOQWHDGOZQWPV-ZDUSSCGKSA-N 2 0 282.432 1.206 10 0 CDAERP CC[NH+](CC)CCCCNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872278493 724398279 /nfs/dbraw/zinc/39/82/79/724398279.db2.gz SABHTCBJIQLONX-IPYPFGDCSA-N 2 0 267.417 1.352 10 0 CDAERP C(CO[C@H]1CCOC1)[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925875852 724408784 /nfs/dbraw/zinc/40/87/84/724408784.db2.gz XGJHYLVZRDEZNZ-JYJNAYRXSA-N 2 0 282.428 1.550 10 0 CDAERP C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)C1 ZINC000923498404 724426041 /nfs/dbraw/zinc/42/60/41/724426041.db2.gz HSUAFLMDZXRXOR-HZSPNIEDSA-N 2 0 267.417 1.162 10 0 CDAERP [NH3+][C@@H]1CC[C@H]2CN(Cc3cccc(Cl)n3)C[C@@H]12 ZINC000310396232 724434720 /nfs/dbraw/zinc/43/47/20/724434720.db2.gz JRKACSAULUOOHR-MVWJERBFSA-N 2 0 251.761 1.904 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)C2CC2)[C@H](C)C1 ZINC000838934437 724437284 /nfs/dbraw/zinc/43/72/84/724437284.db2.gz VRJLMVPNKVGEDM-KBMXLJTQSA-N 2 0 284.444 1.484 10 0 CDAERP COCCOC[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925569866 725387730 /nfs/dbraw/zinc/38/77/30/725387730.db2.gz APFLRKOJUDDCRU-RWMBFGLXSA-N 2 0 258.406 1.534 10 0 CDAERP CCN1C[C@@H](C[NH+]2CCC(CC[NH+](C)C)CC2)OC1=O ZINC000846780623 723695488 /nfs/dbraw/zinc/69/54/88/723695488.db2.gz MWUAOSIYGNUDRN-CQSZACIVSA-N 2 0 283.416 1.491 10 0 CDAERP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000870993734 723702103 /nfs/dbraw/zinc/70/21/03/723702103.db2.gz LLHILIUHXJLTHC-HUBLWGQQSA-N 2 0 267.417 1.208 10 0 CDAERP OCCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000305853816 723711422 /nfs/dbraw/zinc/71/14/22/723711422.db2.gz KHAHLXOJLUMBAK-IXDOHACOSA-N 2 0 274.408 1.869 10 0 CDAERP CCCCOC(=O)CC[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923494725 723712476 /nfs/dbraw/zinc/71/24/76/723712476.db2.gz NSVRSYFHFRXGQX-STQMWFEESA-N 2 0 256.390 1.637 10 0 CDAERP C[C@H]([NH2+]CCC[NH3+])c1ccc(N2CCOC2=O)cc1 ZINC000817938959 723722025 /nfs/dbraw/zinc/72/20/25/723722025.db2.gz WJCIMHLDXOKFOG-NSHDSACASA-N 2 0 263.341 1.643 10 0 CDAERP CCO[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C[NH+](C)C ZINC000922753796 723723573 /nfs/dbraw/zinc/72/35/73/723723573.db2.gz JXPBOASTFACLDA-RBSFLKMASA-N 2 0 269.433 1.170 10 0 CDAERP c1cc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)sn1 ZINC000709914927 723726010 /nfs/dbraw/zinc/72/60/10/723726010.db2.gz HHHZXLQQCCYNEE-VXGBXAGGSA-N 2 0 251.399 1.902 10 0 CDAERP Cc1nccn1CCCC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000834546995 723736419 /nfs/dbraw/zinc/73/64/19/723736419.db2.gz YSWUUFCTNKSLKW-YPMHNXCESA-N 2 0 264.373 1.086 10 0 CDAERP [NH3+]CC1(O)CC[NH+](CCc2cccc(F)c2)CC1 ZINC000071574145 723744119 /nfs/dbraw/zinc/74/41/19/723744119.db2.gz QVXWRMSFZFJPGF-UHFFFAOYSA-N 2 0 252.333 1.154 10 0 CDAERP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cnn(-c3ccccc3)n2)C1 ZINC000841084999 723747494 /nfs/dbraw/zinc/74/74/94/723747494.db2.gz RSNKJHPJJKCZEI-QWHCGFSZSA-N 2 0 271.368 1.484 10 0 CDAERP Cc1nccn1CCC[NH2+][C@@H]1[C@@H](C)COC[C@H]1C ZINC000924711367 723747507 /nfs/dbraw/zinc/74/75/07/723747507.db2.gz BMBOVWSZMBNDFW-IMRBUKKESA-N 2 0 251.374 1.842 10 0 CDAERP CC[C@@H]1C[C@H]1NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875556023 723751866 /nfs/dbraw/zinc/75/18/66/723751866.db2.gz JLZBDAANPSRAGR-KBUPBQIOSA-N 2 0 296.459 1.166 10 0 CDAERP COC(=O)c1coc([C@H](C)[NH2+]CCN2CCC([NH3+])CC2)c1 ZINC000925811991 723763483 /nfs/dbraw/zinc/76/34/83/723763483.db2.gz LTYJJOTWPCIILH-NSHDSACASA-N 2 0 295.383 1.140 10 0 CDAERP CC[NH+]1CCC(N[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925517727 723769248 /nfs/dbraw/zinc/76/92/48/723769248.db2.gz YNOCERGPMWKLLB-GXTWGEPZSA-N 2 0 253.434 1.966 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCOC2=O)[C@@H](C)C1 ZINC000872114328 723772695 /nfs/dbraw/zinc/77/26/95/723772695.db2.gz XLJQMFBMEIMWDG-MJBXVCDLSA-N 2 0 268.401 1.650 10 0 CDAERP CC(=O)NCC1CCC([NH2+][C@@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000865475077 723772706 /nfs/dbraw/zinc/77/27/06/723772706.db2.gz GWJRGUJYQPTAGQ-HOJRLLLISA-N 2 0 281.444 1.754 10 0 CDAERP C[NH+]1C[C@]2(C)CN([C@@H]3CCN(C4CCC4)C3=O)C[C@@]2(C)C1 ZINC000931315921 723772857 /nfs/dbraw/zinc/77/28/57/723772857.db2.gz DMLVHOFLMBJXOP-DJIMGWMZSA-N 2 0 291.439 1.413 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925546926 723790066 /nfs/dbraw/zinc/79/00/66/723790066.db2.gz LDHDKJYMLLTQPA-OAGGEKHMSA-N 3 0 296.503 1.508 10 0 CDAERP C[NH+]1CCC(C[NH2+][C@H](CCO)C2CCCC2)CC1 ZINC000725094468 723862189 /nfs/dbraw/zinc/86/21/89/723862189.db2.gz AAYMJDBONWXFNB-OAHLLOKOSA-N 2 0 254.418 1.859 10 0 CDAERP CC[NH2+]CC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000818612134 723870074 /nfs/dbraw/zinc/87/00/74/723870074.db2.gz NYMNIEYGXFUJOE-KGLIPLIRSA-N 2 0 279.359 1.078 10 0 CDAERP Cc1noc(CCC[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)n1 ZINC000923494128 723912166 /nfs/dbraw/zinc/91/21/66/723912166.db2.gz KNYNIRHKWTXQQK-JQWIXIFHSA-N 2 0 252.362 1.227 10 0 CDAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCCCCCCC[NH+](C)C ZINC000841740056 724027551 /nfs/dbraw/zinc/02/75/51/724027551.db2.gz LFVGOOWMVRRJJE-GJZGRUSLSA-N 2 0 298.475 1.796 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)CC(C)(C)O)C1 ZINC000872199937 724030087 /nfs/dbraw/zinc/03/00/87/724030087.db2.gz SOPTVBOGXPUHPN-UONOGXRCSA-N 2 0 272.433 1.218 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CC[C@@H]2CCOC2=O)[C@H](C)C1 ZINC000120710810 724032350 /nfs/dbraw/zinc/03/23/50/724032350.db2.gz BEHUKGBDAMYIDS-MCIONIFRSA-N 2 0 268.401 1.602 10 0 CDAERP O[C@@H](C[NH2+]CC1CC[NH+](CC2CC2)CC1)C1CC1 ZINC000853131666 724060111 /nfs/dbraw/zinc/06/01/11/724060111.db2.gz LDLREWJYKHTWDJ-HNNXBMFYSA-N 2 0 252.402 1.469 10 0 CDAERP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)C(C)(C)CO ZINC000926673405 724189797 /nfs/dbraw/zinc/18/97/97/724189797.db2.gz BUSTZMRRAMEZHO-CQSZACIVSA-N 2 0 298.471 1.874 10 0 CDAERP CCOC(=O)c1ncc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)s1 ZINC000923487966 724190048 /nfs/dbraw/zinc/19/00/48/724190048.db2.gz CEWJQOMOPURLRM-WDEREUQCSA-N 2 0 297.424 1.737 10 0 CDAERP CC[C@H](C)[C@@H](C)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870021556 724235481 /nfs/dbraw/zinc/23/54/81/724235481.db2.gz HJNACDPGYZQOSA-ZJIFWQFVSA-N 2 0 297.487 1.866 10 0 CDAERP CC1(C)[C@H]([NH3+])c2ccccc2N1C(=O)C[NH2+]C1CC1 ZINC000867988979 724269462 /nfs/dbraw/zinc/26/94/62/724269462.db2.gz YSESQUHQXMCYRM-CQSZACIVSA-N 2 0 259.353 1.564 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)C1 ZINC000925594210 724446849 /nfs/dbraw/zinc/44/68/49/724446849.db2.gz PRVCFXNUIOPQAH-DTWKUNHWSA-N 2 0 281.322 1.161 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC[N@@H+]1C ZINC000870893152 725400896 /nfs/dbraw/zinc/40/08/96/725400896.db2.gz QKHLCGMLOBLTLC-BIGJJFBESA-N 2 0 265.401 1.055 10 0 CDAERP COC(CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)OC ZINC000851785792 725404600 /nfs/dbraw/zinc/40/46/00/725404600.db2.gz SOHFVETYQPXIOX-CQSZACIVSA-N 2 0 270.417 1.803 10 0 CDAERP NC(=O)C1(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CCCC1 ZINC000925505142 724460732 /nfs/dbraw/zinc/46/07/32/724460732.db2.gz UDIOVMLPXLOXRA-CABCVRRESA-N 2 0 293.455 1.790 10 0 CDAERP Cc1ncc(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)s1 ZINC000923445624 724462118 /nfs/dbraw/zinc/46/21/18/724462118.db2.gz KSHUFBLWCIMTGK-GFCCVEGCSA-N 2 0 281.425 1.781 10 0 CDAERP C[N@H+](CCNC(=O)CO[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000844172719 724487600 /nfs/dbraw/zinc/48/76/00/724487600.db2.gz WKYOJGSTBQLWSS-HNNXBMFYSA-N 2 0 297.443 1.136 10 0 CDAERP CC1(C)[C@@H]([NH2+]CCOC[C@@H]2CCCO2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925498977 724496981 /nfs/dbraw/zinc/49/69/81/724496981.db2.gz UPVKIUZFCZTYPB-XGUBFFRZSA-N 2 0 282.428 1.548 10 0 CDAERP Cc1ccc(C[N@H+](C)C[C@@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC000923297600 724516763 /nfs/dbraw/zinc/51/67/63/724516763.db2.gz KYTHOOGSXAVLSD-HNNXBMFYSA-N 2 0 260.381 1.805 10 0 CDAERP CC(=O)N1CC[C@@H]([NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925722548 724528817 /nfs/dbraw/zinc/52/88/17/724528817.db2.gz WTCLFQCGDGQYSW-YNEHKIRRSA-N 2 0 253.390 1.103 10 0 CDAERP CC(C)([NH3+])CCN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925736201 725676818 /nfs/dbraw/zinc/67/68/18/725676818.db2.gz CTWCFDBOBJMDQU-ZIAGYGMSSA-N 2 0 253.434 1.872 10 0 CDAERP O[C@@H](CN1CCC2(CC[NH2+]2)CC1)c1ccc(F)cc1 ZINC000923381370 724536216 /nfs/dbraw/zinc/53/62/16/724536216.db2.gz LFEJCLZLVITTJC-AWEZNQCLSA-N 2 0 264.344 1.687 10 0 CDAERP C[C@H]1C[N@H+](CCCN[C@@H]2CC[NH2+]C23CCCC3)CCCO1 ZINC000925652283 724578329 /nfs/dbraw/zinc/57/83/29/724578329.db2.gz PIDGRBFHDPMNOH-JKSUJKDBSA-N 2 0 295.471 1.752 10 0 CDAERP CCC[N@@H+]1CC[C@@H](NC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000851677841 724577671 /nfs/dbraw/zinc/57/76/71/724577671.db2.gz XISHLKRWQUMYTK-ZBFHGGJFSA-N 2 0 294.443 1.256 10 0 CDAERP FC(F)(F)[C@@H]1CC[C@H](CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)O1 ZINC000721458212 724595649 /nfs/dbraw/zinc/59/56/49/724595649.db2.gz KTGAGEFXBZJHSB-QCNOEVLYSA-N 2 0 278.318 1.638 10 0 CDAERP CO[C@H]1C[C@@H](C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000721930842 724613926 /nfs/dbraw/zinc/61/39/26/724613926.db2.gz GCIPDLXFWOHTQV-CFVMTHIKSA-N 2 0 252.402 1.875 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001317528681 957532125 /nfs/dbraw/zinc/53/21/25/957532125.db2.gz UBBUULZDQNUALJ-QWHCGFSZSA-N 2 0 255.406 1.175 10 0 CDAERP CCN(C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)[C@H]1CC[N@H+](C)C1 ZINC000855361670 724715341 /nfs/dbraw/zinc/71/53/41/724715341.db2.gz GTDMBXFTGYDAHS-BBRMVZONSA-N 2 0 299.434 1.752 10 0 CDAERP CCOC(=O)C1=CC[C@H]([NH2+][C@H]2CCCCC[C@H]2[NH3+])C1 ZINC000863544502 724738295 /nfs/dbraw/zinc/73/82/95/724738295.db2.gz VZYLAPUITQCWSC-MJBXVCDLSA-N 2 0 266.385 1.888 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC[N@@H+]1C ZINC000925321596 724743992 /nfs/dbraw/zinc/74/39/92/724743992.db2.gz NGEDBDSRVDLIJI-KFWWJZLASA-N 2 0 294.443 1.349 10 0 CDAERP C[NH+](C)CC1(O)CC[NH+](C[C@@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000715390847 724765903 /nfs/dbraw/zinc/76/59/03/724765903.db2.gz CCFLTMBSPVJJRX-GJZGRUSLSA-N 2 0 282.428 1.333 10 0 CDAERP C[C@H](CCc1cccnc1)[NH2+]C[C@]1(O)CCN(C)C1 ZINC000866340561 724775531 /nfs/dbraw/zinc/77/55/31/724775531.db2.gz SDXDVCHNCAGXQS-UKRRQHHQSA-N 2 0 263.385 1.059 10 0 CDAERP C[C@@H]1CCC[N@@H+]1CCN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925624165 724781364 /nfs/dbraw/zinc/78/13/64/724781364.db2.gz VYFNXMKURHOKJF-APIJFGDWSA-N 2 0 265.445 1.837 10 0 CDAERP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cn(C2CC2)cn1 ZINC000865457888 724805119 /nfs/dbraw/zinc/80/51/19/724805119.db2.gz WEUAHJZEVOWCIF-INIZCTEOSA-N 2 0 292.427 1.545 10 0 CDAERP CC(C)[NH+]1CCC([NH2+][C@@H]2CC(=O)N(CC3CC3)C2)CC1 ZINC000716772949 724816354 /nfs/dbraw/zinc/81/63/54/724816354.db2.gz HPKDEFZDJHSYCJ-OAHLLOKOSA-N 2 0 279.428 1.460 10 0 CDAERP COc1c(C)cnc(CNC(=O)N[C@H](C)[C@@H](C)[NH3+])c1C ZINC000841763461 724817614 /nfs/dbraw/zinc/81/76/14/724817614.db2.gz XZHFCENIMOEKRA-GHMZBOCLSA-N 2 0 280.372 1.242 10 0 CDAERP CSC1(C[NH2+][C@@H]2CO[C@@H](C)[C@@H]2C)CC[NH+](C)CC1 ZINC000926449922 724819504 /nfs/dbraw/zinc/81/95/04/724819504.db2.gz YAVLPYVIFJNZBG-RWMBFGLXSA-N 2 0 272.458 1.827 10 0 CDAERP CCCOC(=O)[C@H](C)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000842474041 724822897 /nfs/dbraw/zinc/82/28/97/724822897.db2.gz BMRACDISDLHRCV-MJBXVCDLSA-N 2 0 268.401 1.792 10 0 CDAERP C[C@@](C[NH3+])([NH2+]C[C@@H]1CC2(CO1)CCOCC2)C1CC1 ZINC000872141698 725230600 /nfs/dbraw/zinc/23/06/00/725230600.db2.gz OVJGGUKDYLLJLA-KBPBESRZSA-N 2 0 268.401 1.289 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000713109272 723694536 /nfs/dbraw/zinc/69/45/36/723694536.db2.gz BMKHKSYVTUJXME-RYUDHWBXSA-N 2 0 257.422 1.452 10 0 CDAERP C[C@H]([NH2+]CCC(C)(C)[NH3+])c1ccc(S(N)(=O)=O)cc1 ZINC000382092719 723717850 /nfs/dbraw/zinc/71/78/50/723717850.db2.gz FCBZNENBGSWJRD-JTQLQIEISA-N 2 0 285.413 1.112 10 0 CDAERP Cc1ccc([C@@H](O)C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925658135 723719825 /nfs/dbraw/zinc/71/98/25/723719825.db2.gz GWESEWYQZFFYCA-SOUVJXGZSA-N 2 0 260.381 1.888 10 0 CDAERP C[NH+](C)CC1(O)CC[NH+](CC2(O)CCCCC2)CC1 ZINC000710657109 723723988 /nfs/dbraw/zinc/72/39/88/723723988.db2.gz GDLDJTPJOZXETB-UHFFFAOYSA-N 2 0 270.417 1.070 10 0 CDAERP c1[nH]nc2c1[C@H]([NH2+]C[C@H]1C[C@H]3CC[C@@H](C1)[NH2+]3)CCC2 ZINC000873262405 723775550 /nfs/dbraw/zinc/77/55/50/723775550.db2.gz YXNGDFCPASUGAW-GFQSEFKGSA-N 2 0 260.385 1.907 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCN2CCSC[C@@H]12 ZINC000720494935 723907877 /nfs/dbraw/zinc/90/78/77/723907877.db2.gz JTZQBDZOXWWLQR-MCIONIFRSA-N 2 0 271.474 1.673 10 0 CDAERP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccnnc1 ZINC000925216040 723955782 /nfs/dbraw/zinc/95/57/82/723955782.db2.gz QOVLOURUODZBMP-ZDUSSCGKSA-N 2 0 277.416 1.153 10 0 CDAERP OC[C@@H](Cc1ccc(F)cc1)N[C@H]1CC[NH2+]C12CCC2 ZINC000925649471 723980440 /nfs/dbraw/zinc/98/04/40/723980440.db2.gz FQKYTVNCOAEOFS-CABCVRRESA-N 2 0 278.371 1.603 10 0 CDAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)CC[C@H]21 ZINC000713280368 724030919 /nfs/dbraw/zinc/03/09/19/724030919.db2.gz ZTYCTOBLCBTCJW-SSZWKKLZSA-N 2 0 277.412 1.057 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)NC1CCC([NH3+])CC1 ZINC000232928013 724030985 /nfs/dbraw/zinc/03/09/85/724030985.db2.gz MAJXNHQHFKQXKG-MCIGGMRASA-N 2 0 253.390 1.151 10 0 CDAERP CC(C)C[C@@H](C[NH3+])NC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870936815 724041107 /nfs/dbraw/zinc/04/11/07/724041107.db2.gz PWCAZWQFIINLLE-LXVYMNJGSA-N 2 0 253.390 1.008 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CCC12CCOCC2 ZINC000850500115 724156203 /nfs/dbraw/zinc/15/62/03/724156203.db2.gz DCLXFCFMFHMRIZ-JKSUJKDBSA-N 2 0 297.487 1.807 10 0 CDAERP C(COC[C@@H]1CCCO1)[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925498133 724218406 /nfs/dbraw/zinc/21/84/06/724218406.db2.gz MRDILOGLVPPUFY-BBWFWOEESA-N 2 0 296.455 1.940 10 0 CDAERP C[NH+](C)C1(C)CCC([NH2+][C@H]2CC[NH2+]C2(C)C)CC1 ZINC000925734067 724354716 /nfs/dbraw/zinc/35/47/16/724354716.db2.gz MMWTYZIFLAGZEK-OWYJLGKBSA-N 2 0 253.434 1.979 10 0 CDAERP C[NH+](C)C[C@H]1CCN(C[C@@H](O)c2ccc(F)cn2)C1 ZINC000799302400 725074355 /nfs/dbraw/zinc/07/43/55/725074355.db2.gz JPKZPBHBWMUZJY-BXUZGUMPSA-N 2 0 267.348 1.138 10 0 CDAERP C[N@H+](CC1CC[NH+](C)CC1)CN1C[C@@H]2CCC[C@@H]2C1=O ZINC000839990878 725150833 /nfs/dbraw/zinc/15/08/33/725150833.db2.gz KWIDJNOYIWOXOX-GJZGRUSLSA-N 2 0 279.428 1.476 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)C1 ZINC000925768162 725219344 /nfs/dbraw/zinc/21/93/44/725219344.db2.gz IQPGCJJEHQJISC-BJDJZHNGSA-N 2 0 274.430 1.058 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](C[C@H](O)CC(F)(F)F)C1 ZINC000923415433 725222152 /nfs/dbraw/zinc/22/21/52/725222152.db2.gz PRYPGWWHBKSUFZ-ZYHUDNBSSA-N 2 0 282.350 1.997 10 0 CDAERP C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923500533 725223706 /nfs/dbraw/zinc/22/37/06/725223706.db2.gz PLKBOGLICXAOCY-GRYCIOLGSA-N 2 0 255.406 1.206 10 0 CDAERP COCC[N@H+](C)CCCN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925543233 725243955 /nfs/dbraw/zinc/24/39/55/725243955.db2.gz LPDRQDBXFNXNRC-KGLIPLIRSA-N 2 0 271.449 1.450 10 0 CDAERP CCN(CC)C(=O)[C@H](C)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923456889 725256563 /nfs/dbraw/zinc/25/65/63/725256563.db2.gz ZTOFSFHTTCGCMJ-KBPBESRZSA-N 2 0 297.443 1.073 10 0 CDAERP CC1(C)C[NH2+]CC[C@H](N[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000925727135 725267214 /nfs/dbraw/zinc/26/72/14/725267214.db2.gz YYYMKQARPCGCNN-UQGHGMQMSA-N 2 0 263.429 1.351 10 0 CDAERP CC[C@H](C[C@@](C)(O)CC)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000924994017 725271192 /nfs/dbraw/zinc/27/11/92/725271192.db2.gz RMCQGCBKAZSKJY-OAGGEKHMSA-N 2 0 285.476 1.542 10 0 CDAERP C[C@@H]1[NH2+]CCC[C@H]1NC[C@H]1COc2ccccc2O1 ZINC000396634388 725300673 /nfs/dbraw/zinc/30/06/73/725300673.db2.gz NCDWQPDZMZFIFB-RWMBFGLXSA-N 2 0 262.353 1.557 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000925720155 725311008 /nfs/dbraw/zinc/31/10/08/725311008.db2.gz XECCMEBWNQXWGF-DVUXXLOYSA-N 2 0 250.386 1.659 10 0 CDAERP CS(=O)(=O)CC1CCC([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000925879480 725312317 /nfs/dbraw/zinc/31/23/17/725312317.db2.gz FPHINIKXBCNXJE-DKNRTOFZSA-N 2 0 288.457 1.307 10 0 CDAERP C[NH+](C)C1(C)CCN(C(=O)CC[NH2+]C(C)(C)C)CC1 ZINC000709817683 725325150 /nfs/dbraw/zinc/32/51/50/725325150.db2.gz YRBMZASVUPJUKY-UHFFFAOYSA-N 2 0 269.433 1.707 10 0 CDAERP COc1ccc(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)cn1 ZINC000923447207 725337796 /nfs/dbraw/zinc/33/77/96/725337796.db2.gz QJXPQJLAHYDQMG-AWEZNQCLSA-N 2 0 291.395 1.420 10 0 CDAERP NC(=O)c1ccc(CC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000866665863 725343391 /nfs/dbraw/zinc/34/33/91/725343391.db2.gz JEMXNBGYZKRAOT-HUUCEWRRSA-N 2 0 273.380 1.012 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@@H](O)CC3CCCC3)C[C@@H]21 ZINC000232148842 725360009 /nfs/dbraw/zinc/36/00/09/725360009.db2.gz HTJOOCLOSQVAMB-FXUDXRNXSA-N 2 0 266.429 1.987 10 0 CDAERP C[NH+](C)CC1CC[NH+](CCO[C@H]2CCOC2)CC1 ZINC000929282455 725369089 /nfs/dbraw/zinc/36/90/89/725369089.db2.gz KBENFBHQVLZFOQ-AWEZNQCLSA-N 2 0 256.390 1.066 10 0 CDAERP CC1(C)CCC[N@H+](CCN[C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925660637 725374689 /nfs/dbraw/zinc/37/46/89/725374689.db2.gz SAWKPDKWUNGAOG-KBPBESRZSA-N 2 0 265.445 1.968 10 0 CDAERP COC[C@@H](C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1)OC ZINC000923506616 725374810 /nfs/dbraw/zinc/37/48/10/725374810.db2.gz LFEUYJOORLKDKP-GOEBONIOSA-N 2 0 284.444 1.750 10 0 CDAERP CC1(C)C[C@@H]([NH2+]CCCO[C@@H]2CCOC2)C[C@@H]([NH3+])C1 ZINC000925553626 725400221 /nfs/dbraw/zinc/40/02/21/725400221.db2.gz UJIWJBXPJZJYKQ-HZSPNIEDSA-N 2 0 270.417 1.678 10 0 CDAERP CCCCOC[C@H](O)C[NH+]1CCC(CC[NH2+]C)CC1 ZINC000227910669 725404918 /nfs/dbraw/zinc/40/49/18/725404918.db2.gz VTEHFXLRLHKZJF-OAHLLOKOSA-N 2 0 272.433 1.486 10 0 CDAERP C[NH+](C)C[C@@H](NC(=O)CCCCC[NH3+])c1ccccc1 ZINC000040809115 725407550 /nfs/dbraw/zinc/40/75/50/725407550.db2.gz URAUBEIESMAJOJ-OAHLLOKOSA-N 2 0 277.412 1.925 10 0 CDAERP C[C@H]1CCCN(C(=O)C=C2CC[NH2+]CC2)[C@@H]1CC[NH3+] ZINC000852895941 725409519 /nfs/dbraw/zinc/40/95/19/725409519.db2.gz NPIWPASUTYFYHN-GXTWGEPZSA-N 2 0 265.401 1.272 10 0 CDAERP CC1(C)[C@@H](NCCC[NH2+]C2CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925704483 725409971 /nfs/dbraw/zinc/40/99/71/725409971.db2.gz HDRPQZHINNXWEN-RDBSUJKOSA-N 2 0 251.418 1.495 10 0 CDAERP Cc1cccn2cc(Cc3noc(CC4([NH3+])CC4)n3)nc12 ZINC000854139739 725412088 /nfs/dbraw/zinc/41/20/88/725412088.db2.gz JWEDMVLJQNFNHG-UHFFFAOYSA-N 2 0 283.335 1.650 10 0 CDAERP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713276495 725412428 /nfs/dbraw/zinc/41/24/28/725412428.db2.gz LHNUPDQRXXJUNL-QKDZRIPBSA-N 2 0 277.412 1.199 10 0 CDAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CCOC[C@@H]1CCCO1)CC2 ZINC000923449958 725412734 /nfs/dbraw/zinc/41/27/34/725412734.db2.gz RJEOQTNKSINWJF-GJZGRUSLSA-N 2 0 298.427 1.012 10 0 CDAERP C[C@H](C[NH2+][C@@H](C)CCc1cccnc1)N1CC[NH+](C)CC1 ZINC000866259932 725413170 /nfs/dbraw/zinc/41/31/70/725413170.db2.gz IEXJXSZOSZTLFW-JKSUJKDBSA-N 2 0 290.455 1.628 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257728823 725417308 /nfs/dbraw/zinc/41/73/08/725417308.db2.gz WTDZGUZAXYBRBN-ZFWWWQNUSA-N 2 0 265.401 1.073 10 0 CDAERP O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@@]1(F)CC[NH2+]C1 ZINC000831786485 725448993 /nfs/dbraw/zinc/44/89/93/725448993.db2.gz HKICNIDQXLDSEY-MRXNPFEDSA-N 2 0 291.370 1.923 10 0 CDAERP [NH3+]CCCCCCC[N@@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000842478915 725450095 /nfs/dbraw/zinc/45/00/95/725450095.db2.gz RBDLTNRNTDBFGN-CABCVRRESA-N 2 0 281.444 1.886 10 0 CDAERP C[C@@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCc2ccccc21 ZINC000923385387 725453566 /nfs/dbraw/zinc/45/35/66/725453566.db2.gz ANHAMMFEZPGXMQ-XTBFLFJDSA-N 2 0 260.381 1.499 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000864069035 725470796 /nfs/dbraw/zinc/47/07/96/725470796.db2.gz XDJJEXLUMRHXJO-CYBMUJFWSA-N 2 0 279.428 1.319 10 0 CDAERP C[NH+](C)C[C@](C)(O)CNCc1cnc(Cl)c(F)c1 ZINC000865507686 725508624 /nfs/dbraw/zinc/50/86/24/725508624.db2.gz FPXXMDNASBQKRP-GFCCVEGCSA-N 2 0 275.755 1.276 10 0 CDAERP CC(C)CN1CCO[C@H](C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925512253 725552584 /nfs/dbraw/zinc/55/25/84/725552584.db2.gz BSKNOOPCTUDXCV-ARFHVFGLSA-N 2 0 297.487 1.839 10 0 CDAERP Cn1ncc2cc(C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)cnc21 ZINC000865411867 725560973 /nfs/dbraw/zinc/56/09/73/725560973.db2.gz IQCXFROBKNCCEQ-GFCCVEGCSA-N 2 0 285.395 1.542 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]CCOC[C@@H]2CCCO2)C12CCC2 ZINC000925498340 725612586 /nfs/dbraw/zinc/61/25/86/725612586.db2.gz OPXVSQHYLFLYAZ-YNEHKIRRSA-N 2 0 254.374 1.042 10 0 CDAERP O=C1CCCN1CCC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925515102 725680946 /nfs/dbraw/zinc/68/09/46/725680946.db2.gz PJPFIXQWLGDIOW-HOTGVXAUSA-N 2 0 293.455 1.757 10 0 CDAERP CN(C)[C@]1(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)CCSC1 ZINC000925529783 725914310 /nfs/dbraw/zinc/91/43/10/725914310.db2.gz HAXMCPSGYROLMT-YDHLFZDLSA-N 2 0 285.501 1.919 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CC1 ZINC000715097292 725929526 /nfs/dbraw/zinc/92/95/26/725929526.db2.gz ZZNGCUHPTSIEJD-RYUDHWBXSA-N 2 0 289.370 1.159 10 0 CDAERP CSCc1n[nH]c(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000925776179 725949385 /nfs/dbraw/zinc/94/93/85/725949385.db2.gz DZKFEQWPBIBQPO-GMTAPVOTSA-N 2 0 281.429 1.145 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H]2CCN(C3CCC3)C2=O)C1 ZINC000925724994 726005657 /nfs/dbraw/zinc/00/56/57/726005657.db2.gz PCTCQIWGSATNNQ-YRGRVCCFSA-N 2 0 279.428 1.635 10 0 CDAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCc1ncn(C)n1 ZINC000647801510 726006002 /nfs/dbraw/zinc/00/60/02/726006002.db2.gz WWJDBOYALZFQDM-KGLIPLIRSA-N 2 0 279.432 1.648 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000136410964 726006449 /nfs/dbraw/zinc/00/64/49/726006449.db2.gz DFUYQXJGCUHNRH-CHWSQXEVSA-N 2 0 255.406 1.350 10 0 CDAERP C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)CC1CC(C)(C)C1 ZINC001566439910 1167950450 /nfs/dbraw/zinc/95/04/50/1167950450.db2.gz UUVSULRCPIBEST-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001566533546 1168322811 /nfs/dbraw/zinc/32/28/11/1168322811.db2.gz GAWAUBYMBBWSLX-KBPBESRZSA-N 2 0 269.433 1.706 10 0 CDAERP C[C@H](C(=O)N[C@@H]1CC[C@@H]2C[NH+](C)C[C@@H]12)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001647008263 1168344707 /nfs/dbraw/zinc/34/47/07/1168344707.db2.gz GRALQGKKBSORAX-JXEZDRHFSA-N 2 0 293.455 1.704 10 0 CDAERP O=C(Cc1c[nH]cn1)NCCC[N@@H+](C/C=C/Cl)C1CC1 ZINC001566599037 1168351832 /nfs/dbraw/zinc/35/18/32/1168351832.db2.gz YULQWYXTPIQIGR-ORCRQEGFSA-N 2 0 296.802 1.675 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]C(C)C)CC[N@@H+]1C ZINC001567016651 1168511542 /nfs/dbraw/zinc/51/15/42/1168511542.db2.gz JZYVZSQDBXCBMS-FRRDWIJNSA-N 2 0 255.406 1.219 10 0 CDAERP CCCC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001567021021 1168515740 /nfs/dbraw/zinc/51/57/40/1168515740.db2.gz DRPJQIYGHYUQMH-ZIAGYGMSSA-N 2 0 269.433 1.755 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]CCCF)CC1 ZINC001567067459 1168544027 /nfs/dbraw/zinc/54/40/27/1168544027.db2.gz MIYHRHGAOGVGSW-CYBMUJFWSA-N 2 0 287.423 1.561 10 0 CDAERP CCC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001272524747 913371643 /nfs/dbraw/zinc/37/16/43/913371643.db2.gz VNTIOSAZIYAKEH-UONOGXRCSA-N 2 0 267.417 1.319 10 0 CDAERP CCOCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001266453370 894952133 /nfs/dbraw/zinc/95/21/33/894952133.db2.gz DOLJLLBIRNOUTC-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)=CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001266547098 895307313 /nfs/dbraw/zinc/30/73/13/895307313.db2.gz HGUHRTURWVMEQG-HNNXBMFYSA-N 2 0 279.428 1.485 10 0 CDAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCC[C@@H](C)O ZINC001266699866 895857049 /nfs/dbraw/zinc/85/70/49/895857049.db2.gz QXYFKHPUOMPZEB-CABCVRRESA-N 2 0 299.459 1.068 10 0 CDAERP COC(=O)CCCC[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000707524721 896310098 /nfs/dbraw/zinc/31/00/98/896310098.db2.gz SJLLXRROMNMDDW-OLZOCXBDSA-N 2 0 254.374 1.213 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001418052114 896327177 /nfs/dbraw/zinc/32/71/77/896327177.db2.gz VNXXSVOIILXXIN-CABCVRRESA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)CCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001266962717 896454388 /nfs/dbraw/zinc/45/43/88/896454388.db2.gz VAXPZMRGTKWTBI-UONOGXRCSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001267065048 896670571 /nfs/dbraw/zinc/67/05/71/896670571.db2.gz PSHOCCPOSWBQDM-KBPBESRZSA-N 2 0 297.418 1.268 10 0 CDAERP CC1CC[NH+](CC(=O)N(C)CC[NH2+]CC2CCCC2)CC1 ZINC001567580441 1168870026 /nfs/dbraw/zinc/87/00/26/1168870026.db2.gz ZRMOTGXMYTZZQI-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]CC2CCCCC2)CC[N@@H+]1C ZINC001267374606 897757402 /nfs/dbraw/zinc/75/74/02/897757402.db2.gz GVGSYGZOLHFYRS-GDBMZVCRSA-N 2 0 295.471 1.955 10 0 CDAERP CCOCC[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001267436660 897903625 /nfs/dbraw/zinc/90/36/25/897903625.db2.gz NHPXQSUXIMWSGD-HNNXBMFYSA-N 2 0 299.459 1.334 10 0 CDAERP Cc1ccccc1C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001481216230 899403408 /nfs/dbraw/zinc/40/34/08/899403408.db2.gz VWCZJTCSFNQXPH-INIZCTEOSA-N 2 0 289.423 1.637 10 0 CDAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC[C@@H](C)F ZINC001481229198 899512500 /nfs/dbraw/zinc/51/25/00/899512500.db2.gz PALPABDQBGCDIZ-KGLIPLIRSA-N 2 0 287.423 1.655 10 0 CDAERP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CCCOC)C1 ZINC001267781100 899714947 /nfs/dbraw/zinc/71/49/47/899714947.db2.gz BTHMFZFGJOGVOT-CABCVRRESA-N 2 0 297.443 1.040 10 0 CDAERP CC(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001420935542 899819742 /nfs/dbraw/zinc/81/97/42/899819742.db2.gz GQSINAPAIWQZET-BZUAXINKSA-N 2 0 295.471 1.763 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001481461672 900768633 /nfs/dbraw/zinc/76/86/33/900768633.db2.gz GPIMJUGLUQKAIT-CQSZACIVSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)[C@H](C(=O)N(C)[C@H](C)C[NH2+]CCF)[NH+]1CCCC1 ZINC001268099122 901284226 /nfs/dbraw/zinc/28/42/26/901284226.db2.gz YMEGUCVWYLBXEG-ZIAGYGMSSA-N 2 0 287.423 1.513 10 0 CDAERP C[NH+](C)CCC(=O)NC1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001481581106 901343808 /nfs/dbraw/zinc/34/38/08/901343808.db2.gz NDXJXIDHYDZWBV-UHFFFAOYSA-N 2 0 295.471 1.955 10 0 CDAERP [NH3+]C1CCN(CC[NH2+]C2CCC(C(F)F)CC2)CC1 ZINC000925816611 901365580 /nfs/dbraw/zinc/36/55/80/901365580.db2.gz IFBIOEPXVDBUFR-UHFFFAOYSA-N 2 0 275.387 1.823 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)CC[NH2+]CC(C)C)[NH+](C)C ZINC001268412577 902024238 /nfs/dbraw/zinc/02/42/38/902024238.db2.gz ABMKGHOISHIXKX-CHWSQXEVSA-N 2 0 257.422 1.467 10 0 CDAERP CC(C)[C@H](C(=O)N[C@@H](C)CC[NH2+]CC1CCC1)[NH+](C)C ZINC001268415225 902029784 /nfs/dbraw/zinc/02/97/84/902029784.db2.gz CFXCRWRULLZRFH-DZGCQCFKSA-N 2 0 283.460 1.857 10 0 CDAERP CCN(CC[NH2+]C(C)C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001268458399 902169428 /nfs/dbraw/zinc/16/94/28/902169428.db2.gz AUWLMOFYXDCNIN-CQSZACIVSA-N 2 0 269.433 1.707 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC=C(C)C ZINC001481875911 902251675 /nfs/dbraw/zinc/25/16/75/902251675.db2.gz RDHWVYZIIHNWSF-UONOGXRCSA-N 2 0 267.417 1.389 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccon2)CC1 ZINC001482022650 902473720 /nfs/dbraw/zinc/47/37/20/902473720.db2.gz KZPSCDBNKYBKGR-JOCQHMNTSA-N 2 0 294.399 1.143 10 0 CDAERP CC[C@H](C(=O)NC/C=C\C[NH2+]Cc1cnoc1C)[NH+](C)C ZINC001268557176 902559011 /nfs/dbraw/zinc/55/90/11/902559011.db2.gz QTHIRLIHKZRARG-LMVHVUTASA-N 2 0 294.399 1.085 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NC/C=C\C[NH2+]CCCF)CC[N@@H+]1C ZINC001268580408 902665643 /nfs/dbraw/zinc/66/56/43/902665643.db2.gz AYFXWHNFLJHNAC-NMEQGOOXSA-N 2 0 285.407 1.338 10 0 CDAERP CC(C)[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001268595122 902728239 /nfs/dbraw/zinc/72/82/39/902728239.db2.gz HBMNYNGMDMTHKK-XHPSBEMXSA-N 2 0 281.444 1.920 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001482162343 902782209 /nfs/dbraw/zinc/78/22/09/902782209.db2.gz UKUQZJCOGUDTIM-GJZGRUSLSA-N 2 0 283.460 1.881 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]CC1CCC1 ZINC001268674685 902938467 /nfs/dbraw/zinc/93/84/67/902938467.db2.gz XZRBIMQSVYMXEI-GFCCVEGCSA-N 2 0 255.406 1.221 10 0 CDAERP CC(C)=CC[NH2+]CCCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001268839679 903172179 /nfs/dbraw/zinc/17/21/79/903172179.db2.gz MEZLMIWKPXZVED-OAHLLOKOSA-N 2 0 283.460 1.977 10 0 CDAERP CN(CCC[NH2+]CCCF)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001268916154 903242322 /nfs/dbraw/zinc/24/23/22/903242322.db2.gz ZCMUVOOMSWNQNM-ZDUSSCGKSA-N 2 0 273.396 1.126 10 0 CDAERP C[NH+](C)C1(C(=O)N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)CCCC1 ZINC001362710788 903990959 /nfs/dbraw/zinc/99/09/59/903990959.db2.gz CYCDPIQEWNDSPO-IYBDPMFKSA-N 2 0 293.455 1.661 10 0 CDAERP CC[C@@H](C)C[NH+]1CC(N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001269876510 904175127 /nfs/dbraw/zinc/17/51/27/904175127.db2.gz UFERXETYEFSGDH-CQSZACIVSA-N 2 0 283.460 1.907 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCOCC)C[C@@H]1C ZINC001269980574 904248471 /nfs/dbraw/zinc/24/84/71/904248471.db2.gz HBUFEWMCVBXABH-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)C[C@@H](C[NH2+]CC1CC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482397339 905295026 /nfs/dbraw/zinc/29/50/26/905295026.db2.gz YFJBSXYAVXLIET-CVEARBPZSA-N 2 0 295.471 1.859 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CC[C@@H]([NH+](C)CC)C1 ZINC001364285337 905531661 /nfs/dbraw/zinc/53/16/61/905531661.db2.gz ZGZBUDKGZZXOBZ-HUUCEWRRSA-N 2 0 298.475 1.842 10 0 CDAERP CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CN(CC)CCO1 ZINC001271607191 906544759 /nfs/dbraw/zinc/54/47/59/906544759.db2.gz CAYSRAYMKMBRDF-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)C[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001482533405 906882947 /nfs/dbraw/zinc/88/29/47/906882947.db2.gz YNFUDGPLQJWOAT-RBSFLKMASA-N 2 0 283.460 1.713 10 0 CDAERP CC(C)[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1nccs1 ZINC001482555118 907038141 /nfs/dbraw/zinc/03/81/41/907038141.db2.gz PGHIABIXRJUEBN-LBPRGKRZSA-N 2 0 298.456 1.325 10 0 CDAERP C[C@H](C[NH2+]Cc1ccns1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001483129062 909695481 /nfs/dbraw/zinc/69/54/81/909695481.db2.gz RFYXWORFJIWZPH-NQBHXWOUSA-N 2 0 296.440 1.078 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001483135692 909780796 /nfs/dbraw/zinc/78/07/96/909780796.db2.gz NTVNHKFCVJNYEY-VXGBXAGGSA-N 2 0 273.396 1.313 10 0 CDAERP C[C@H](C[NH2+]C/C=C/Cl)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001483156933 909876650 /nfs/dbraw/zinc/87/66/50/909876650.db2.gz VBAWOAUASMOSIK-NNNHXZLVSA-N 2 0 287.835 1.708 10 0 CDAERP C[C@H](C[NH2+]C/C=C\Cl)NC(=O)CCC[NH+]1CCCC1 ZINC001483198784 909968390 /nfs/dbraw/zinc/96/83/90/909968390.db2.gz ZVSFSRKSXUYUGY-SCXUMTSISA-N 2 0 287.835 1.709 10 0 CDAERP C[C@@H](C[NH2+]CC[C@H]1CCCO1)NC(=O)C[N@H+](C)C1CCC1 ZINC001483235106 910447852 /nfs/dbraw/zinc/44/78/52/910447852.db2.gz BAVURQUQLUWMCE-DZGCQCFKSA-N 2 0 297.443 1.134 10 0 CDAERP Cc1nc[nH]c1CC(=O)N(CC[N@H+](C)C(C)C)C(C)C ZINC001426126080 910471849 /nfs/dbraw/zinc/47/18/49/910471849.db2.gz AAYMKZNKAIENPF-UHFFFAOYSA-N 2 0 280.416 1.838 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CC[NH2+]CC2CC2)C1 ZINC001568050650 1169128868 /nfs/dbraw/zinc/12/88/68/1169128868.db2.gz RCASVEKUHPAKCV-HOTGVXAUSA-N 2 0 293.455 1.709 10 0 CDAERP COCC[NH2+]C[C@H]1CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001483957576 915240598 /nfs/dbraw/zinc/24/05/98/915240598.db2.gz AKIBNLGNCXZXKX-OAHLLOKOSA-N 2 0 297.443 1.089 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001484070949 915388417 /nfs/dbraw/zinc/38/84/17/915388417.db2.gz KAKJLKWUEFFCGF-GDBMZVCRSA-N 2 0 283.460 1.953 10 0 CDAERP CCCCC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001484377855 915692187 /nfs/dbraw/zinc/69/21/87/915692187.db2.gz TUYGUZYGVLQGQW-CABCVRRESA-N 2 0 283.460 1.812 10 0 CDAERP CCCC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001484377417 915692923 /nfs/dbraw/zinc/69/29/23/915692923.db2.gz PVRCOVBHQAIZDT-GOEBONIOSA-N 2 0 295.471 1.812 10 0 CDAERP CCCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001568172325 1169160928 /nfs/dbraw/zinc/16/09/28/1169160928.db2.gz RYNGUUBYWWGBFI-SOUVJXGZSA-N 2 0 283.460 1.859 10 0 CDAERP Cc1nc(C)c(C[NH2+][C@@H](C)[C@H](C)NC(=O)CC[NH+](C)C)o1 ZINC001485188671 916647247 /nfs/dbraw/zinc/64/72/47/916647247.db2.gz IRAXTDKHYCJOPX-QWRGUYRKSA-N 2 0 296.415 1.226 10 0 CDAERP CCCCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001485340671 916856434 /nfs/dbraw/zinc/85/64/34/916856434.db2.gz YAFVQRITFZIPER-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP C[C@@H](NC(=O)C[NH+]1CCCC1)C1C[NH+](CC2CCCC2)C1 ZINC001485537597 917067123 /nfs/dbraw/zinc/06/71/23/917067123.db2.gz PNTYIQCRDHNUEV-CQSZACIVSA-N 2 0 293.455 1.709 10 0 CDAERP C[C@H](CCC[NH2+]CCF)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001485722548 917218082 /nfs/dbraw/zinc/21/80/82/917218082.db2.gz MWWMXFZJEADYFQ-JHJVBQTASA-N 2 0 273.396 1.171 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C(C)C ZINC001366638358 917842102 /nfs/dbraw/zinc/84/21/02/917842102.db2.gz NVHJIAINTMGPKW-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CCCC[NH2+]CC[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001272829778 919862521 /nfs/dbraw/zinc/86/25/21/919862521.db2.gz LWQAJZSNGOPIQF-ZDUSSCGKSA-N 2 0 269.433 1.755 10 0 CDAERP Cc1ncc(C[NH2+][C@H](C)CN(C)C(=O)C[NH+]2CCCC2)o1 ZINC001485955287 920595207 /nfs/dbraw/zinc/59/52/07/920595207.db2.gz JERHRLDRAQGRGQ-GFCCVEGCSA-N 2 0 294.399 1.015 10 0 CDAERP COCCCC[NH2+][C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001490897638 936669131 /nfs/dbraw/zinc/66/91/31/936669131.db2.gz MCAKPLJNBXLSCO-HDJSIYSDSA-N 2 0 297.443 1.134 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCCF)C[C@H]1C ZINC001486129345 920734811 /nfs/dbraw/zinc/73/48/11/920734811.db2.gz LRNVWVZMGLVQBP-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP CCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001486137385 920741925 /nfs/dbraw/zinc/74/19/25/920741925.db2.gz VEPPKWVYHJDYGP-ZIAGYGMSSA-N 2 0 269.433 1.706 10 0 CDAERP C[NH+](C)CCC(=O)NC1(C2CC[NH+](CCCF)CC2)CC1 ZINC001486490969 921063868 /nfs/dbraw/zinc/06/38/68/921063868.db2.gz MKFHCOPRUPDKDL-UHFFFAOYSA-N 2 0 299.434 1.659 10 0 CDAERP C[C@]12C[NH2+]C[C@H]1CN(C[C@H]1COc3ccccc3O1)C2 ZINC000702109849 922477398 /nfs/dbraw/zinc/47/73/98/922477398.db2.gz CHKUBHZWKBRHCC-HEHGZKQESA-N 2 0 274.364 1.368 10 0 CDAERP CCOCC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001568369137 1169264760 /nfs/dbraw/zinc/26/47/60/1169264760.db2.gz IOMNPMOVWGVZHV-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)COC)CC1(C)C ZINC001410031861 924344536 /nfs/dbraw/zinc/34/45/36/924344536.db2.gz YECVTILPJREPFI-UONOGXRCSA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001491480679 936921971 /nfs/dbraw/zinc/92/19/71/936921971.db2.gz LMCNRDFXULOONC-VXGBXAGGSA-N 2 0 273.396 1.313 10 0 CDAERP CCN(CC[NH2+]CCCF)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001273710031 924776362 /nfs/dbraw/zinc/77/63/62/924776362.db2.gz GSTSEGIZGPXRPL-CYBMUJFWSA-N 2 0 273.396 1.126 10 0 CDAERP CC[NH2+]CCN(CC)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001273710403 924781076 /nfs/dbraw/zinc/78/10/76/924781076.db2.gz UIBLNZFCYWYWED-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCC(C)(C)C)C2)C1 ZINC001488879395 926747808 /nfs/dbraw/zinc/74/78/08/926747808.db2.gz YMPVPUFRKFBFGA-RBSFLKMASA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](CC3CC3)CC[C@@H]2C1 ZINC001489207756 926828814 /nfs/dbraw/zinc/82/88/14/926828814.db2.gz HDMYUGNPYHOETB-CVEARBPZSA-N 2 0 293.455 1.517 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C)C1CC[NH+](CC2CC2)CC1)[NH+](C)C ZINC001411242281 927297345 /nfs/dbraw/zinc/29/73/45/927297345.db2.gz YPAYCFMCVJKVMH-CJNGLKHVSA-N 2 0 295.471 1.953 10 0 CDAERP C[N@H+](CC1CC1)C[C@H]1CCN(CCOC(F)F)C1 ZINC000851795474 927631833 /nfs/dbraw/zinc/63/18/33/927631833.db2.gz CLSSHIOUDDXKGF-GFCCVEGCSA-N 2 0 262.344 1.889 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC2CC[NH+](C)CC2)C1 ZINC001135652639 930326893 /nfs/dbraw/zinc/32/68/93/930326893.db2.gz JQUGYNMCMFMFJF-GXTWGEPZSA-N 2 0 267.417 1.317 10 0 CDAERP CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@H]21 ZINC001568516416 1169343544 /nfs/dbraw/zinc/34/35/44/1169343544.db2.gz WZLOPCXMZQQBFL-ZIAGYGMSSA-N 2 0 267.417 1.269 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC1CC1 ZINC001274154880 931206947 /nfs/dbraw/zinc/20/69/47/931206947.db2.gz XNVVAQAJTBMTGV-CWDCEQMOSA-N 2 0 293.455 1.779 10 0 CDAERP C[C@@H](CNC(=O)CCC[NH+](C)C)[NH2+]Cc1cncs1 ZINC001441945280 931754070 /nfs/dbraw/zinc/75/40/70/931754070.db2.gz RGPUWTJZZYUGRW-NSHDSACASA-N 2 0 284.429 1.079 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CCC(C)C)[NH+](C)C ZINC001275410859 931778673 /nfs/dbraw/zinc/77/86/73/931778673.db2.gz VWCAXSDRVMHGTG-STQMWFEESA-N 2 0 257.422 1.467 10 0 CDAERP CN(CCC[NH2+]CC1CC1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001276071343 932491046 /nfs/dbraw/zinc/49/10/46/932491046.db2.gz RJEKXFXXQMGGHP-CVEARBPZSA-N 2 0 293.455 1.851 10 0 CDAERP CCCC[C@@H](C[NH2+]CCF)NC(=O)C1CC[NH+](C)CC1 ZINC001276261270 932695820 /nfs/dbraw/zinc/69/58/20/932695820.db2.gz CPDVHYFDMXYATO-AWEZNQCLSA-N 2 0 287.423 1.562 10 0 CDAERP COCCC[N@H+](C)CCNC(=O)C[NH+](C)CC(C)(C)C ZINC001148480158 932715941 /nfs/dbraw/zinc/71/59/41/932715941.db2.gz KVOCALOUVRKLPF-UHFFFAOYSA-N 2 0 287.448 1.049 10 0 CDAERP [NH3+][C@@H]1C[C@@H](NC[C@H]2C[NH2+]CCC2(F)F)c2ccccc21 ZINC000925776860 932938107 /nfs/dbraw/zinc/93/81/07/932938107.db2.gz NAVOWLMXUFKCFK-LERXQTSPSA-N 2 0 281.350 1.966 10 0 CDAERP COC(=O)[C@H](C)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000691898356 933133526 /nfs/dbraw/zinc/13/35/26/933133526.db2.gz FCAPVGIYIWAORO-LBPRGKRZSA-N 2 0 254.374 1.356 10 0 CDAERP C/C=C/C[C@H]1CCC[N@H+](CC(=O)N2CC[NH2+]CC2)C1 ZINC001118896470 937676049 /nfs/dbraw/zinc/67/60/49/937676049.db2.gz AMXXZYFWVVYQJY-HSWBROFVSA-N 2 0 265.401 1.096 10 0 CDAERP CC(C)CC(=O)N1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC001119541344 937730151 /nfs/dbraw/zinc/73/01/51/937730151.db2.gz OSWKDCOCRRNYPV-KGLIPLIRSA-N 2 0 267.417 1.304 10 0 CDAERP CC(C)CNC(=O)C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC001119631492 937741571 /nfs/dbraw/zinc/74/15/71/937741571.db2.gz WMDQINHIYHLTRA-RYUDHWBXSA-N 2 0 255.406 1.254 10 0 CDAERP C[C@H]1CN(C2CC2)CCN1C(=O)C1CC[NH+](C2CC2)CC1 ZINC001412857794 935061848 /nfs/dbraw/zinc/06/18/48/935061848.db2.gz GQBUBSKNZWSYEQ-ZDUSSCGKSA-N 2 0 291.439 1.556 10 0 CDAERP c1cc(N2CCC[C@H]([NH2+]C3CCOCC3)C2)cc[nH+]1 ZINC001120786640 937835783 /nfs/dbraw/zinc/83/57/83/937835783.db2.gz PIYXWBHXFAMEPB-AWEZNQCLSA-N 2 0 261.369 1.819 10 0 CDAERP CC/C=C\CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001276552717 940281839 /nfs/dbraw/zinc/28/18/39/940281839.db2.gz MQERORMSUVJQMZ-UDLYIEAKSA-N 2 0 293.455 1.921 10 0 CDAERP CCO[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1C[NH3+] ZINC000405489651 940990149 /nfs/dbraw/zinc/99/01/49/940990149.db2.gz ZOAXQMUUYIXZJP-DGCLKSJQSA-N 2 0 254.399 1.586 10 0 CDAERP CC[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCCCC1 ZINC001329860632 941350538 /nfs/dbraw/zinc/35/05/38/941350538.db2.gz JTKYXGCNNLKOHW-CYBMUJFWSA-N 2 0 267.417 1.367 10 0 CDAERP CC(C)[NH2+]C1(CNC(=O)C[C@H](C)n2ccnc2)CC1 ZINC001277189846 942151713 /nfs/dbraw/zinc/15/17/13/942151713.db2.gz RYLMJCKGASGINN-LBPRGKRZSA-N 2 0 264.373 1.481 10 0 CDAERP COCCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001281930685 942634060 /nfs/dbraw/zinc/63/40/60/942634060.db2.gz VDUQJWZOTGOEGU-GJZGRUSLSA-N 2 0 297.443 1.040 10 0 CDAERP CCC[NH2+][C@H](C)[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001282206301 942678470 /nfs/dbraw/zinc/67/84/70/942678470.db2.gz KDSSAQIRDXUEFB-ZIAGYGMSSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001283051533 942812451 /nfs/dbraw/zinc/81/24/51/942812451.db2.gz OXZJNVGKZLGBJC-IHRRRGAJSA-N 2 0 299.434 1.703 10 0 CDAERP CC(C)[NH2+]CCC[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001283260937 942868123 /nfs/dbraw/zinc/86/81/23/942868123.db2.gz PJLVUJPIJNBABY-CQSZACIVSA-N 2 0 299.459 1.380 10 0 CDAERP CC(C)[NH2+][C@@H](C)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001283702195 942973345 /nfs/dbraw/zinc/97/33/45/942973345.db2.gz JHCURORAEWHXQX-STQMWFEESA-N 2 0 255.406 1.173 10 0 CDAERP CC(C)OCCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001283714442 942975930 /nfs/dbraw/zinc/97/59/30/942975930.db2.gz MTXSLBGDFNINBE-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CCOC(C)C)C[C@H]1C ZINC001284026946 943054617 /nfs/dbraw/zinc/05/46/17/943054617.db2.gz SRKGDXITPXLESC-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP CCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1Cc2cncn2C1 ZINC001649917072 1169495754 /nfs/dbraw/zinc/49/57/54/1169495754.db2.gz OILBXDXLZWXRFS-TZMCWYRMSA-N 2 0 276.384 1.189 10 0 CDAERP CC[N@H+](C)CCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001265058416 944217182 /nfs/dbraw/zinc/21/71/82/944217182.db2.gz TXVZHSNEYPWEOD-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP CCOCCC[NH2+][C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001265481239 944404207 /nfs/dbraw/zinc/40/42/07/944404207.db2.gz AJFLZHDUJMOIOP-HDJSIYSDSA-N 2 0 297.443 1.134 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001265691970 944470735 /nfs/dbraw/zinc/47/07/35/944470735.db2.gz VXMLPCQBZBVFCD-HOTGVXAUSA-N 2 0 293.455 1.875 10 0 CDAERP C[NH+](C)CCC(=O)NC/C=C/C[NH2+]CC1=CCCCC1 ZINC001568912345 1169545883 /nfs/dbraw/zinc/54/58/83/1169545883.db2.gz NTEQEQCTSBBDQE-VOTSOKGWSA-N 2 0 279.428 1.701 10 0 CDAERP COCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001479225114 971265689 /nfs/dbraw/zinc/26/56/89/971265689.db2.gz MNQYDDNKEWSOAU-LSDHHAIUSA-N 2 0 297.443 1.040 10 0 CDAERP CCC[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001479454341 971328020 /nfs/dbraw/zinc/32/80/20/971328020.db2.gz OEAGMBDXRPKIGT-UONOGXRCSA-N 2 0 281.444 1.755 10 0 CDAERP CC[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@@H]2C1 ZINC001479672146 971361893 /nfs/dbraw/zinc/36/18/93/971361893.db2.gz AOJNUBHQAQLTLF-CABCVRRESA-N 2 0 281.444 1.519 10 0 CDAERP C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)Cc1cncs1 ZINC001479762299 971400994 /nfs/dbraw/zinc/40/09/94/971400994.db2.gz MDHGNSDUVQQGBJ-ZDUSSCGKSA-N 2 0 296.440 1.175 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CCCF)CN1C(=O)C[NH+]1CCCC1 ZINC001278423199 947883691 /nfs/dbraw/zinc/88/36/91/947883691.db2.gz IHTAGBSYEWJHNR-CHWSQXEVSA-N 2 0 271.380 1.021 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](NC(=O)CC[NH+]2CC[C@@H](F)C2)C1 ZINC001362625283 971469593 /nfs/dbraw/zinc/46/95/93/971469593.db2.gz FTQSHSGMHHHPHI-KGLIPLIRSA-N 2 0 285.407 1.409 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCCOC)C1 ZINC001480174711 971614341 /nfs/dbraw/zinc/61/43/41/971614341.db2.gz YVFPVVONADVHCM-RBSFLKMASA-N 2 0 297.443 1.134 10 0 CDAERP CC[N@@H+]1CC[C@@H]1C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC001362822338 971645354 /nfs/dbraw/zinc/64/53/54/971645354.db2.gz FOXLPRLBARVMRZ-HUUCEWRRSA-N 2 0 279.428 1.271 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001278585368 950269262 /nfs/dbraw/zinc/26/92/62/950269262.db2.gz LCQRSIIKRVXTTK-UONOGXRCSA-N 2 0 281.444 1.613 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001480383325 971696601 /nfs/dbraw/zinc/69/66/01/971696601.db2.gz OIKSRZDUGVMIEY-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]CCOC(C)C)CC[N@@H+]1C ZINC001480464297 971743629 /nfs/dbraw/zinc/74/36/29/971743629.db2.gz RHPSSJBFWTUGCB-SOUVJXGZSA-N 2 0 299.459 1.236 10 0 CDAERP CC(C)[C@H]1CN(C(=O)[C@@H]2CC[C@H]3C[C@@H](C)C[N@@H+]3C2)CC[NH2+]1 ZINC001362998562 971802117 /nfs/dbraw/zinc/80/21/17/971802117.db2.gz PMFXXRUOEQFLDC-LVQVYYBASA-N 2 0 293.455 1.563 10 0 CDAERP CCCCC[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001480623115 971812835 /nfs/dbraw/zinc/81/28/35/971812835.db2.gz PREHKIVIYPBLTB-KBPBESRZSA-N 2 0 269.433 1.707 10 0 CDAERP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@@H](O)C(C)(C)O)cc1 ZINC001363218693 971988625 /nfs/dbraw/zinc/98/86/25/971988625.db2.gz WISJTEOMSBWTGL-OAHLLOKOSA-N 2 0 280.412 1.312 10 0 CDAERP CCOCC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001493235220 971992871 /nfs/dbraw/zinc/99/28/71/971992871.db2.gz FBLPWZTZHJTEGV-HUUCEWRRSA-N 2 0 299.459 1.047 10 0 CDAERP CCC[NH2+]CC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001326352039 954335302 /nfs/dbraw/zinc/33/53/02/954335302.db2.gz KSVJRPAWHVHFGO-CYBMUJFWSA-N 2 0 255.406 1.176 10 0 CDAERP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](C)CC1(C)C)[NH+]1CCCCC1 ZINC001364242554 954372322 /nfs/dbraw/zinc/37/23/22/954372322.db2.gz ZTVLSBVCLLUXIO-HUUCEWRRSA-N 2 0 295.471 1.953 10 0 CDAERP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC001364358249 954498042 /nfs/dbraw/zinc/49/80/42/954498042.db2.gz HFFSSDLKAHCNQF-ULQDDVLXSA-N 2 0 295.471 1.249 10 0 CDAERP CC(C)(O)[C@@H](O)C[NH+]1CCC(Nc2ccccn2)CC1 ZINC001364381641 954527827 /nfs/dbraw/zinc/52/78/27/954527827.db2.gz LRDGWLSQSQWDCU-ZDUSSCGKSA-N 2 0 279.384 1.090 10 0 CDAERP C[C@@H]1CCC[N@H+](CCNC(=O)[C@H]2CCCC[C@@H]2[NH3+])C1 ZINC001327196914 954763119 /nfs/dbraw/zinc/76/31/19/954763119.db2.gz ZAWUFGWBWWKYSL-RDBSUJKOSA-N 2 0 267.417 1.352 10 0 CDAERP Cc1cnc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCC[N@@H+]2C)o1 ZINC001569188288 1169712266 /nfs/dbraw/zinc/71/22/66/1169712266.db2.gz GFLLJSVQWACIBE-ZDUSSCGKSA-N 2 0 294.399 1.015 10 0 CDAERP CC(C)=CC[NH2+][C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001327905032 955107555 /nfs/dbraw/zinc/10/75/55/955107555.db2.gz PVIBIQITSYRCCI-GJZGRUSLSA-N 2 0 293.455 1.731 10 0 CDAERP CC(C)CNC(=O)CCC[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001363313577 972079255 /nfs/dbraw/zinc/07/92/55/972079255.db2.gz FOEZPOXATYUTJG-ZBFHGGJFSA-N 2 0 281.444 1.422 10 0 CDAERP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC1CC(C)(C)C1 ZINC001491637064 955337887 /nfs/dbraw/zinc/33/78/87/955337887.db2.gz HZRVBSIGUABKTN-ZIAGYGMSSA-N 2 0 295.471 1.859 10 0 CDAERP CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]C[C@H]1CCCCO1 ZINC001421490522 955373194 /nfs/dbraw/zinc/37/31/94/955373194.db2.gz AQKFSABOUJQFKN-LSDHHAIUSA-N 2 0 299.459 1.380 10 0 CDAERP CCCC[NH2+]CCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001569202961 1169719832 /nfs/dbraw/zinc/71/98/32/1169719832.db2.gz LKYAOUYWHPLICF-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP CC[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC)[NH+](C)C ZINC001421549521 955406017 /nfs/dbraw/zinc/40/60/17/955406017.db2.gz VZQJMDMDFNHSRP-LXTVHRRPSA-N 2 0 281.444 1.706 10 0 CDAERP Cc1ncc(C[NH2+]CCN(C)C(=O)[C@H]2CCC[N@@H+]2C)s1 ZINC001493654484 972094050 /nfs/dbraw/zinc/09/40/50/972094050.db2.gz CDPQVINRQCMUDO-CYBMUJFWSA-N 2 0 296.440 1.094 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCC ZINC001421637088 955444384 /nfs/dbraw/zinc/44/43/84/955444384.db2.gz NIGQZOSZJVHALG-LSDHHAIUSA-N 2 0 281.444 1.804 10 0 CDAERP CC[N@H+](C)C[C@@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001328785527 955478394 /nfs/dbraw/zinc/47/83/94/955478394.db2.gz IYVCSTHFNMWVCS-AWEZNQCLSA-N 2 0 269.433 1.661 10 0 CDAERP CC(C)=CC[NH2+][C@H]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001491887441 955493741 /nfs/dbraw/zinc/49/37/41/955493741.db2.gz YDECCDBCOPWPAZ-GJZGRUSLSA-N 2 0 281.444 1.921 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001492044677 955593838 /nfs/dbraw/zinc/59/38/38/955593838.db2.gz WGSQYXKQWFYDIS-CABCVRRESA-N 2 0 281.444 1.921 10 0 CDAERP CC(C)[NH2+][C@@H](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001492067554 955603453 /nfs/dbraw/zinc/60/34/53/955603453.db2.gz JFGIZNHJQRAVDD-ZDUSSCGKSA-N 2 0 269.433 1.754 10 0 CDAERP CC[C@@H](C(=O)N(C)CC[NH2+]CC1CC(C)C1)[NH+](C)C ZINC001493762465 972112630 /nfs/dbraw/zinc/11/26/30/972112630.db2.gz CZPSJHSSWXRNHE-RUXDESIVSA-N 2 0 269.433 1.421 10 0 CDAERP CCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH+](C)CC)C1 ZINC001365182909 955686795 /nfs/dbraw/zinc/68/67/95/955686795.db2.gz KKAMVVDBGKQJLK-LSDHHAIUSA-N 2 0 281.444 1.804 10 0 CDAERP C[C@H](C[NH2+]Cc1ccccn1)N(C)C(=O)C[NH+]1CCCC1 ZINC001422000811 955692753 /nfs/dbraw/zinc/69/27/53/955692753.db2.gz XUYYDRWAKKUXNQ-CQSZACIVSA-N 2 0 290.411 1.114 10 0 CDAERP CC[NH2+]CC1(NC(=O)CC[C@H]2CCC[N@@H+]2C)CCOCC1 ZINC001422001076 955694209 /nfs/dbraw/zinc/69/42/09/955694209.db2.gz HSLKKIAZAHRCSY-CQSZACIVSA-N 2 0 297.443 1.136 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](C)CN2CCOCC2)C[C@@H]1C ZINC001365284318 955825601 /nfs/dbraw/zinc/82/56/01/955825601.db2.gz BXLZHCHTKDVYGK-IKGGRYGDSA-N 2 0 297.487 1.759 10 0 CDAERP CC/C=C/CC[N@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001492425313 955879277 /nfs/dbraw/zinc/87/92/77/955879277.db2.gz ZCJDWLVENNYOOU-NFAHFFEMSA-N 2 0 281.444 1.733 10 0 CDAERP CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001422442084 956005911 /nfs/dbraw/zinc/00/59/11/956005911.db2.gz QMXLOUXFSCLRPX-UONOGXRCSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)C[NH2+]CC(C)(C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001422471941 956044892 /nfs/dbraw/zinc/04/48/92/956044892.db2.gz WGEAAFVNVJHJAE-UHFFFAOYSA-N 2 0 283.460 1.812 10 0 CDAERP CC(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001422513352 956110867 /nfs/dbraw/zinc/11/08/67/956110867.db2.gz GAOHEWFMSYSNLU-GJZGRUSLSA-N 2 0 283.460 1.952 10 0 CDAERP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)CCC(C)C)[NH+](C)C ZINC001422585471 956173865 /nfs/dbraw/zinc/17/38/65/956173865.db2.gz JWPXHYKBLJUHSC-KGLIPLIRSA-N 2 0 271.449 1.809 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCF)C1 ZINC001317345757 956196809 /nfs/dbraw/zinc/19/68/09/956196809.db2.gz HWFVQPOBCDZNEV-KGLIPLIRSA-N 2 0 285.407 1.268 10 0 CDAERP Cc1ncc(C[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C2CCC2)o1 ZINC001422658468 956239666 /nfs/dbraw/zinc/23/96/66/956239666.db2.gz CYMOBJNWQIAGIJ-NSHDSACASA-N 2 0 294.399 1.062 10 0 CDAERP CC(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001423007327 956505243 /nfs/dbraw/zinc/50/52/43/956505243.db2.gz UOKMIOQJISFPQR-BPLDGKMQSA-N 2 0 281.444 1.467 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CCC(C)C)C1)[NH+](C)C ZINC001330655229 956544892 /nfs/dbraw/zinc/54/48/92/956544892.db2.gz DFGDXVNOVUUUOV-KKUMJFAQSA-N 2 0 283.460 1.857 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001366091704 956558679 /nfs/dbraw/zinc/55/86/79/956558679.db2.gz UOQDBCQUEMVFOB-KBPBESRZSA-N 2 0 281.444 1.707 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCF)C2)C1 ZINC001330685733 956564187 /nfs/dbraw/zinc/56/41/87/956564187.db2.gz BJOPLWWLBZAYPS-ZQDZILKHSA-N 2 0 299.434 1.561 10 0 CDAERP C[NH+](C)CCCC(=O)N1CC[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001366385092 956787752 /nfs/dbraw/zinc/78/77/52/956787752.db2.gz IKUPOUPVSGALLE-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H]1C[NH2+]C[C@H]1CCCCO1 ZINC001423481692 956801597 /nfs/dbraw/zinc/80/15/97/956801597.db2.gz ZSFKEHXLAKTBQB-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]C/C=C/Cl ZINC001366509879 956890030 /nfs/dbraw/zinc/89/00/30/956890030.db2.gz ORISZMSSFRZPRK-ZBWCZXCSSA-N 2 0 273.808 1.175 10 0 CDAERP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]C/C=C/Cl ZINC001366509876 956890696 /nfs/dbraw/zinc/89/06/96/956890696.db2.gz ORISZMSSFRZPRK-JKNNBXRXSA-N 2 0 273.808 1.175 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001316823914 957051242 /nfs/dbraw/zinc/05/12/42/957051242.db2.gz KXTKQPRZFOSACW-HOCLYGCPSA-N 2 0 295.471 1.812 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](CCC3CC3)C[C@@H]2C1 ZINC001423979997 957063665 /nfs/dbraw/zinc/06/36/65/957063665.db2.gz KWSVCGCVMXVTFY-GASCZTMLSA-N 2 0 279.428 1.128 10 0 CDAERP CC[C@H](C)C[N@H+](CC)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001366637435 957069976 /nfs/dbraw/zinc/06/99/76/957069976.db2.gz DCFZSAQTRWLSBM-LSDHHAIUSA-N 2 0 283.460 1.812 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)CC1CCCC1 ZINC001316910006 957114429 /nfs/dbraw/zinc/11/44/29/957114429.db2.gz YPTSMCKPZKWQTJ-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001316994434 957193199 /nfs/dbraw/zinc/19/31/99/957193199.db2.gz IHTTYVBAYJQVJM-ZIAGYGMSSA-N 2 0 267.417 1.317 10 0 CDAERP [NH3+][C@@H]1CC=C(c2nc([C@H]3C[NH+]4CCC3CC4)no2)C1 ZINC001331845950 957295947 /nfs/dbraw/zinc/29/59/47/957295947.db2.gz ARZGRNKPZSWKJU-NEPJUHHUSA-N 2 0 260.341 1.383 10 0 CDAERP Cc1oncc1C[NH2+][C@H](C)[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001424836975 957377225 /nfs/dbraw/zinc/37/72/25/957377225.db2.gz XNSFQYUCFAKTNJ-VXGBXAGGSA-N 2 0 296.415 1.308 10 0 CDAERP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H](C)[NH2+]C/C=C\Cl ZINC001424836785 957378200 /nfs/dbraw/zinc/37/82/00/957378200.db2.gz XGXUUZPPNFANFD-HJLXKUKWSA-N 2 0 287.835 1.564 10 0 CDAERP CCCC[NH2+][C@@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001317266546 957392483 /nfs/dbraw/zinc/39/24/83/957392483.db2.gz XTHCECCSDSGXFO-OLZOCXBDSA-N 2 0 255.406 1.223 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001317308427 957416716 /nfs/dbraw/zinc/41/67/16/957416716.db2.gz CWZTUPTUKCIJAZ-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)CC[C@@H]1CCCO1 ZINC001425075550 957464616 /nfs/dbraw/zinc/46/46/16/957464616.db2.gz FIZSPDMCDKTIKU-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP C[N@H+](CCCCCF)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001317442830 957477428 /nfs/dbraw/zinc/47/74/28/957477428.db2.gz MNGPBEOAVIVNNI-ZDUSSCGKSA-N 2 0 273.396 1.268 10 0 CDAERP CCCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)C(C)(C)C1 ZINC001425317095 957513961 /nfs/dbraw/zinc/51/39/61/957513961.db2.gz JSQQSXFHXMMMMU-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001425389612 957525512 /nfs/dbraw/zinc/52/55/12/957525512.db2.gz HVGUMYJWUYNBOI-KBUPBQIOSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001425492373 957543102 /nfs/dbraw/zinc/54/31/02/957543102.db2.gz KOBGEJBAKRGGCT-GOEBONIOSA-N 2 0 295.471 1.811 10 0 CDAERP CC(C)CC[N@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001367517130 958090638 /nfs/dbraw/zinc/09/06/38/958090638.db2.gz BWJHVWUUPRCEHZ-OAHLLOKOSA-N 2 0 283.460 1.907 10 0 CDAERP Cc1cccc(C[N@@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C)c1 ZINC001367836331 958415260 /nfs/dbraw/zinc/41/52/60/958415260.db2.gz RAEVMAMMZIWFOG-HNNXBMFYSA-N 2 0 291.439 1.883 10 0 CDAERP C[C@@H](C[N@H+](C)CCC1CCCC1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001367860078 958437699 /nfs/dbraw/zinc/43/76/99/958437699.db2.gz WLVQITFQFYYLPQ-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001368163954 958682215 /nfs/dbraw/zinc/68/22/15/958682215.db2.gz UCNPMODGYGGSIQ-DZGCQCFKSA-N 2 0 287.423 1.657 10 0 CDAERP c1c(C[NH2+]CC2CC2)nnn1C[C@H]1CCCC[NH2+]C1 ZINC001333938221 958715452 /nfs/dbraw/zinc/71/54/52/958715452.db2.gz IXFIAXPGFWDMEX-ZDUSSCGKSA-N 2 0 263.389 1.167 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](CC)[NH2+]CCF)C1 ZINC001495040966 972383390 /nfs/dbraw/zinc/38/33/90/972383390.db2.gz IOMPREPSIGZWDD-KGLIPLIRSA-N 2 0 287.423 1.562 10 0 CDAERP CC(C)[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CC[NH+](C)C ZINC001320165353 958982900 /nfs/dbraw/zinc/98/29/00/958982900.db2.gz NTHUPSMDEHPHNE-OLZOCXBDSA-N 2 0 255.406 1.221 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2C[C@H]([NH2+]C/C=C/Cl)C2)C1 ZINC001368603047 958993141 /nfs/dbraw/zinc/99/31/41/958993141.db2.gz DEYBDHFCEHYZKR-WSUFCMERSA-N 2 0 299.846 1.565 10 0 CDAERP CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CCF)C1)[NH+]1CCCC1 ZINC001368608758 958995236 /nfs/dbraw/zinc/99/52/36/958995236.db2.gz OZRXRLDKMHTVSY-KKUMJFAQSA-N 2 0 299.434 1.561 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CCC[C@@H](C)O ZINC001368699554 959056608 /nfs/dbraw/zinc/05/66/08/959056608.db2.gz UETWXGSONSHEEZ-QLFBSQMISA-N 2 0 299.459 1.068 10 0 CDAERP C[C@@H](CC[NH2+]CC1CC(F)(F)C1)NC(=O)CC[NH+](C)C ZINC001320545352 959233169 /nfs/dbraw/zinc/23/31/69/959233169.db2.gz WKOUXJYLAONMCC-NSHDSACASA-N 2 0 291.386 1.468 10 0 CDAERP Cc1ncoc1C[NH2+][C@H](C)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001368918478 959249731 /nfs/dbraw/zinc/24/97/31/959249731.db2.gz UZMSCEQBGJOIHF-NEPJUHHUSA-N 2 0 294.399 1.062 10 0 CDAERP COCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001368956442 959324171 /nfs/dbraw/zinc/32/41/71/959324171.db2.gz AAIBMFSZYRVTOW-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CCC1CCOCC1 ZINC001368977274 959353259 /nfs/dbraw/zinc/35/32/59/959353259.db2.gz ZDOUISIYLZCCMD-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCC(F)(F)F ZINC001371237397 972428425 /nfs/dbraw/zinc/42/84/25/972428425.db2.gz MDMKKDZKTAVZJR-GHMZBOCLSA-N 2 0 295.349 1.517 10 0 CDAERP CC[C@@H](C(=O)N(CC)CC[NH2+]CC=C(C)C)[NH+](C)C ZINC001320900564 959449719 /nfs/dbraw/zinc/44/97/19/959449719.db2.gz GLWIMNRWXSVSJS-AWEZNQCLSA-N 2 0 269.433 1.731 10 0 CDAERP CCCC[NH+]1CC([C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001369100714 959458719 /nfs/dbraw/zinc/45/87/19/959458719.db2.gz YTRJMXYGMXUSQQ-KGLIPLIRSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccccc1 ZINC001371246093 972432125 /nfs/dbraw/zinc/43/21/25/972432125.db2.gz WJXQVFYLKYFIJO-HOCLYGCPSA-N 2 0 289.423 1.765 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H]1C[N@@H+](C(C)C)CC1(C)C)[NH+](C)C ZINC001369123449 959474333 /nfs/dbraw/zinc/47/43/33/959474333.db2.gz IBXQEECURNLLDW-KBPBESRZSA-N 2 0 283.460 1.808 10 0 CDAERP CC(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001369219864 959540865 /nfs/dbraw/zinc/54/08/65/959540865.db2.gz PCYNERZNDULXSG-JKSUJKDBSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001369294731 959607718 /nfs/dbraw/zinc/60/77/18/959607718.db2.gz MCGAYODCMIZSEX-HOCLYGCPSA-N 2 0 281.444 1.565 10 0 CDAERP CC[NH2+]C[C@@H](C)NC(=O)[C@@H](c1ccccc1)N(C)C ZINC001321755409 959932438 /nfs/dbraw/zinc/93/24/38/959932438.db2.gz CPGYDNOUYUPMER-TZMCWYRMSA-N 2 0 263.385 1.404 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CCc1ccccc1)[NH+](C)C ZINC001322041027 960063751 /nfs/dbraw/zinc/06/37/51/960063751.db2.gz CHVAZGVVNQCXRE-HOCLYGCPSA-N 2 0 291.439 1.664 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001370517400 960135328 /nfs/dbraw/zinc/13/53/28/960135328.db2.gz KQXWUPRQDWCFQO-SHTZXODSSA-N 2 0 293.455 1.755 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CC[NH2+]CCF)CC1 ZINC001495403503 972489434 /nfs/dbraw/zinc/48/94/34/972489434.db2.gz MYFNFJDVUUSVPB-CQSZACIVSA-N 2 0 285.407 1.268 10 0 CDAERP CC(C)[C@H](C(=O)N(C)CCC[NH2+]C/C=C/Cl)[NH+](C)C ZINC001322683251 960295375 /nfs/dbraw/zinc/29/53/75/960295375.db2.gz PXZUFYGHWKGQQN-STMXVASLSA-N 2 0 289.851 1.763 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)C2([NH+](C)C)CCCC2)C1 ZINC001433631866 960476873 /nfs/dbraw/zinc/47/68/73/960476873.db2.gz QLTRRJQQLKCNBN-CQSZACIVSA-N 2 0 281.444 1.707 10 0 CDAERP CC[NH+](CC)C1CCN(C(=O)CC[N@@H+]2CC[C@@H](F)C2)CC1 ZINC001433664438 960495449 /nfs/dbraw/zinc/49/54/49/960495449.db2.gz KQEWLPPCANHSIK-CQSZACIVSA-N 2 0 299.434 1.753 10 0 CDAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001433744279 960574672 /nfs/dbraw/zinc/57/46/72/960574672.db2.gz CAXGATMQGOSWLX-XHSDSOJGSA-N 2 0 295.471 1.907 10 0 CDAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001433744277 960575135 /nfs/dbraw/zinc/57/51/35/960575135.db2.gz CAXGATMQGOSWLX-HRCADAONSA-N 2 0 295.471 1.907 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCCN1C ZINC001323258613 960587884 /nfs/dbraw/zinc/58/78/84/960587884.db2.gz ADVSQZIMSMUNQX-HUUCEWRRSA-N 2 0 281.444 1.851 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1CC1CCC1 ZINC001323358741 960676849 /nfs/dbraw/zinc/67/68/49/960676849.db2.gz XFVJDCFRLLGFMM-AWEZNQCLSA-N 2 0 267.417 1.317 10 0 CDAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001418619149 960808970 /nfs/dbraw/zinc/80/89/70/960808970.db2.gz KNSUMLJFNZPJGC-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001418733413 960953889 /nfs/dbraw/zinc/95/38/89/960953889.db2.gz NVFDBUOCEVZAJX-QLFBSQMISA-N 2 0 281.444 1.611 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCF)CC(C)(C)C1 ZINC001418826441 961073673 /nfs/dbraw/zinc/07/36/73/961073673.db2.gz NEUSAMMPCVAXCP-CYBMUJFWSA-N 2 0 287.423 1.514 10 0 CDAERP CCCCC[NH+]1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001324017335 961111658 /nfs/dbraw/zinc/11/16/58/961111658.db2.gz JGZRQWCKDMYLHT-ZDUSSCGKSA-N 2 0 267.417 1.271 10 0 CDAERP C[C@H](CN1CCOCC1)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC001434457996 961435904 /nfs/dbraw/zinc/43/59/04/961435904.db2.gz CGIZKCWFDAALFB-DLBZAZTESA-N 2 0 297.487 1.761 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]([NH2+]C/C=C\Cl)C1CC1 ZINC001419322758 961608399 /nfs/dbraw/zinc/60/83/99/961608399.db2.gz KVKYYGLKPRDNHT-LLPBQKLSSA-N 2 0 287.835 1.564 10 0 CDAERP COC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001419408276 961668395 /nfs/dbraw/zinc/66/83/95/961668395.db2.gz AAYQMYGMGMZOLF-IHRRRGAJSA-N 2 0 297.443 1.133 10 0 CDAERP C[C@H](F)CC[NH2+][C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001419764907 962084462 /nfs/dbraw/zinc/08/44/62/962084462.db2.gz BVLCYEXIGNNTIQ-KBPBESRZSA-N 2 0 299.434 1.705 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NC[C@H]([NH2+]C/C=C/Cl)C2CC2)C1 ZINC001436824191 962439908 /nfs/dbraw/zinc/43/99/08/962439908.db2.gz CNVXKNVTAYVHSH-NLNDZEDMSA-N 2 0 285.819 1.175 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCCCCF ZINC001569371054 1169811771 /nfs/dbraw/zinc/81/17/71/1169811771.db2.gz UGQASMDANCAUNI-CABCVRRESA-N 2 0 299.434 1.801 10 0 CDAERP CC[NH2+][C@H]1CCC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001437326865 962802737 /nfs/dbraw/zinc/80/27/37/962802737.db2.gz IVSNFZIACKFDFM-UONOGXRCSA-N 2 0 297.443 1.134 10 0 CDAERP C[C@H](C[N@H+](C)CCC(C)(C)C)NC(=O)[C@H]1CN(C)CCO1 ZINC001420567708 963070537 /nfs/dbraw/zinc/07/05/37/963070537.db2.gz WJWLTCOYOOGBSR-ZIAGYGMSSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)C[NH2+][C@H](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001437856121 963211684 /nfs/dbraw/zinc/21/16/84/963211684.db2.gz VLYSXBKNCGQADD-CQSZACIVSA-N 2 0 283.460 1.811 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC001437875218 963217332 /nfs/dbraw/zinc/21/73/32/963217332.db2.gz CXZDDBJYYOFJOT-QLFBSQMISA-N 2 0 299.434 1.750 10 0 CDAERP CC(C)C[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001420739276 963217508 /nfs/dbraw/zinc/21/75/08/963217508.db2.gz BHOBEBXFAWWNGF-LSDHHAIUSA-N 2 0 281.444 1.611 10 0 CDAERP CCCN(C(=O)[C@@H]1CN(CC)CCO1)[C@@H]1CC[N@H+](CC)C1 ZINC001420821370 963270533 /nfs/dbraw/zinc/27/05/33/963270533.db2.gz BTKIHFOXAIWWGX-CABCVRRESA-N 2 0 297.443 1.040 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC1C[NH+](CC2CC(C)(C)C2)C1 ZINC001421194043 963493853 /nfs/dbraw/zinc/49/38/53/963493853.db2.gz RXSDETTUCOXSQX-UHFFFAOYSA-N 2 0 295.471 1.811 10 0 CDAERP C[C@@H](C[NH2+]CC1CCC1)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001438692485 963526779 /nfs/dbraw/zinc/52/67/79/963526779.db2.gz XWSUQVMRCGGZFT-KBPBESRZSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)C[C@@H](C[NH2+]CC1CC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001438734777 963538846 /nfs/dbraw/zinc/53/88/46/963538846.db2.gz NJAGXABEKUKXSV-GJZGRUSLSA-N 2 0 281.444 1.469 10 0 CDAERP CC(C)C[C@H](C[NH2+]CC1CC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001438734781 963539452 /nfs/dbraw/zinc/53/94/52/963539452.db2.gz NJAGXABEKUKXSV-LSDHHAIUSA-N 2 0 281.444 1.469 10 0 CDAERP CC[C@H](C)C[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C(C)C ZINC001438836072 963567942 /nfs/dbraw/zinc/56/79/42/963567942.db2.gz CVUXYTORJDRRFY-GJZGRUSLSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CC[NH+](C)CCCF ZINC001438944389 963609521 /nfs/dbraw/zinc/60/95/21/963609521.db2.gz GLSVJRRSBGHUOV-OKILXGFUSA-N 2 0 287.423 1.609 10 0 CDAERP CC[C@@H](C)C[N@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C(C)C ZINC001439400303 963751586 /nfs/dbraw/zinc/75/15/86/963751586.db2.gz AQMKZZAZSBGWCZ-ZIAGYGMSSA-N 2 0 271.449 1.809 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]Cc1ccccc1)C1CC1 ZINC001439476365 963769521 /nfs/dbraw/zinc/76/95/21/963769521.db2.gz XMPYJCBOZACKBO-MRXNPFEDSA-N 2 0 289.423 1.623 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001439831051 963870109 /nfs/dbraw/zinc/87/01/09/963870109.db2.gz QUMMAOAUDMRRGZ-CVEARBPZSA-N 2 0 293.455 1.802 10 0 CDAERP C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)[N@H+](C)CC1CC1 ZINC001440929906 964267714 /nfs/dbraw/zinc/26/77/14/964267714.db2.gz CGTRZICUWLDLRU-CQSZACIVSA-N 2 0 293.455 1.709 10 0 CDAERP C[N@H+](CCCCNC(=O)CC[NH+]1CC[C@@H](F)C1)C1CC1 ZINC001556938168 965121173 /nfs/dbraw/zinc/12/11/73/965121173.db2.gz RJFHYCQCUZPIIM-CYBMUJFWSA-N 2 0 285.407 1.411 10 0 CDAERP CC1CC(C[N@H+](CCNC(=O)CC[NH+](C)C)C2CC2)C1 ZINC001443026515 965324050 /nfs/dbraw/zinc/32/40/50/965324050.db2.gz BHXKYYQZNMGQPX-UHFFFAOYSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@H+](CC1CC1)C1CC1 ZINC001443062080 965339368 /nfs/dbraw/zinc/33/93/68/965339368.db2.gz PLKROAXEVVGXSY-KBPBESRZSA-N 2 0 293.455 1.850 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC[C@@H]1CC[NH+](CCCF)C1 ZINC001443276033 965423661 /nfs/dbraw/zinc/42/36/61/965423661.db2.gz VHWWJSJZTJCJOZ-CQSZACIVSA-N 2 0 287.423 1.514 10 0 CDAERP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001443749466 965592633 /nfs/dbraw/zinc/59/26/33/965592633.db2.gz HPSOHZZTVUXRRQ-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP CC[NH2+]C[C@](C)(NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC1 ZINC001444109868 965738158 /nfs/dbraw/zinc/73/81/58/965738158.db2.gz JIUKGFFMTTUJPV-LZWOXQAQSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@H]1C[C@H](C[N@H+](C)CCN(C)C(=O)CC[NH+](C)C)CCO1 ZINC001445024942 966062988 /nfs/dbraw/zinc/06/29/88/966062988.db2.gz GBLQQJRAUNHFHG-LSDHHAIUSA-N 2 0 299.459 1.143 10 0 CDAERP CN(CC[N@H+](C)CC1CCCC1)C(=O)C[NH+]1CCCC1 ZINC001445081351 966092387 /nfs/dbraw/zinc/09/23/87/966092387.db2.gz GYMVRCOPFFKCMH-UHFFFAOYSA-N 2 0 281.444 1.663 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001446975832 966672300 /nfs/dbraw/zinc/67/23/00/966672300.db2.gz VXYGZFLWKRWNBV-LSDHHAIUSA-N 2 0 295.471 1.668 10 0 CDAERP Cc1ncoc1C[NH2+]C1(CNC(=O)CC[NH+](C)C)CCC1 ZINC001447230713 966729212 /nfs/dbraw/zinc/72/92/12/966729212.db2.gz QCNAQYVVSWJGIA-UHFFFAOYSA-N 2 0 294.399 1.063 10 0 CDAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]C/C=C\Cl ZINC001447542943 966813327 /nfs/dbraw/zinc/81/33/27/966813327.db2.gz NFKLMLCNNVSNCD-GJJFQZOLSA-N 2 0 273.808 1.127 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1nccs1 ZINC001447926439 966930802 /nfs/dbraw/zinc/93/08/02/966930802.db2.gz VDZPWDWBXRYCRM-NEPJUHHUSA-N 2 0 298.456 1.468 10 0 CDAERP O=C(CC[N@H+]1CC[C@@H](F)C1)NCCC[NH+]1CCCC1 ZINC001539096501 967081585 /nfs/dbraw/zinc/08/15/85/967081585.db2.gz FGGBHTBGRKRKDU-CYBMUJFWSA-N 2 0 271.380 1.022 10 0 CDAERP CCOCCC[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001480120465 967124832 /nfs/dbraw/zinc/12/48/32/967124832.db2.gz OLJRZZDUZKPKJK-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCC[NH+](C)C2)CC[N@@H+]1C ZINC001543265187 967287002 /nfs/dbraw/zinc/28/70/02/967287002.db2.gz KZMORQYJRFIZKD-MJBXVCDLSA-N 2 0 267.417 1.175 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001452729071 968167661 /nfs/dbraw/zinc/16/76/61/968167661.db2.gz RKXCXZAREHQQTJ-KFWWJZLASA-N 2 0 283.460 1.809 10 0 CDAERP C[N@@H+]1C[C@]23C[NH+](CCCCO)C[C@@]2(C1)CCCC3 ZINC001460979476 969580480 /nfs/dbraw/zinc/58/04/80/969580480.db2.gz URJJSPFVKYZGAQ-GASCZTMLSA-N 2 0 252.402 1.567 10 0 CDAERP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H](O)C(C)(C)O ZINC001414014793 969847443 /nfs/dbraw/zinc/84/74/43/969847443.db2.gz GZIJKJWJJJJGGX-INIZCTEOSA-N 2 0 294.439 1.702 10 0 CDAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)CC[NH+](C)C)C1 ZINC001465559620 969883360 /nfs/dbraw/zinc/88/33/60/969883360.db2.gz IATUFIXAWPNMJH-KGLIPLIRSA-N 2 0 269.433 1.374 10 0 CDAERP C[NH+](C)CCCCC(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001520928060 970243921 /nfs/dbraw/zinc/24/39/21/970243921.db2.gz PTZLIICYODQFHN-BFHYXJOUSA-N 2 0 267.417 1.175 10 0 CDAERP C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCCCC[NH+](C)C)C[N@@H+]2C1 ZINC001520987242 970252292 /nfs/dbraw/zinc/25/22/92/970252292.db2.gz SYMHZYXPKGRKFX-RBSFLKMASA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC001361789389 970531324 /nfs/dbraw/zinc/53/13/24/970531324.db2.gz WQRAEILEDMZECB-AWEZNQCLSA-N 2 0 281.444 1.661 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCOC)[C@H](C)C1 ZINC001496366680 972901088 /nfs/dbraw/zinc/90/10/88/972901088.db2.gz FBMIMSVXOFVVRL-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+](C(C)C)C2)C1 ZINC001417619872 973203467 /nfs/dbraw/zinc/20/34/67/973203467.db2.gz INLJYYBINFDCGA-JKSUJKDBSA-N 2 0 295.471 1.953 10 0 CDAERP CCC[NH2+][C@H](C)C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001372992905 973221059 /nfs/dbraw/zinc/22/10/59/973221059.db2.gz HRGFEXWJAVCISP-LSDHHAIUSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](CC(=O)N[C@@H]1CCC[N@H+](CCCF)C1)n1ccnc1 ZINC001373383276 973405733 /nfs/dbraw/zinc/40/57/33/973405733.db2.gz XWPXNBVRLHRXEW-UONOGXRCSA-N 2 0 296.390 1.774 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CCCF)[C@@H]1C)[NH+](C)C ZINC001417851129 973418144 /nfs/dbraw/zinc/41/81/44/973418144.db2.gz FTPLJWUBTUXDRH-RDBSUJKOSA-N 2 0 287.423 1.511 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CCC1CC1 ZINC001497649968 973449339 /nfs/dbraw/zinc/44/93/39/973449339.db2.gz MOJHONJDQVMFOV-PYLYLYNFSA-N 2 0 265.401 1.143 10 0 CDAERP CC(C)(C(=O)NCC1C[NH+](CCCF)C1)[NH+]1CCCC1 ZINC001373530883 973482313 /nfs/dbraw/zinc/48/23/13/973482313.db2.gz STJROEOEWWQXGJ-UHFFFAOYSA-N 2 0 285.407 1.268 10 0 CDAERP CC/C=C\CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001497818549 973537176 /nfs/dbraw/zinc/53/71/76/973537176.db2.gz UOQQQSLENAYMLN-XQIWKARSSA-N 2 0 281.444 1.777 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001373681962 973567533 /nfs/dbraw/zinc/56/75/33/973567533.db2.gz WGSNYBZRJLKIHL-KBPBESRZSA-N 2 0 287.423 1.609 10 0 CDAERP CC(C)[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCF)[NH+](C)C ZINC001418082616 973571969 /nfs/dbraw/zinc/57/19/69/973571969.db2.gz HOOBMXICKVEZKI-JALIKCBVSA-N 2 0 299.434 1.654 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CC1CC2(CCC2)C1 ZINC001418263914 973707118 /nfs/dbraw/zinc/70/71/18/973707118.db2.gz AXNKLDSIGSWHGQ-CYBMUJFWSA-N 2 0 281.444 1.613 10 0 CDAERP Cc1ccncc1C[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001418312198 973741952 /nfs/dbraw/zinc/74/19/52/973741952.db2.gz HUSBRIOUUMGSDT-AWEZNQCLSA-N 2 0 292.427 1.325 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@@H](C[NH2+]Cc2nccs2)C1 ZINC001418364067 973767111 /nfs/dbraw/zinc/76/71/11/973767111.db2.gz WMUOFSIIUBOFLB-LBPRGKRZSA-N 2 0 296.440 1.033 10 0 CDAERP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)CCCO ZINC001498397052 973884061 /nfs/dbraw/zinc/88/40/61/973884061.db2.gz DWRNMFXIFHSBBM-HUUCEWRRSA-N 2 0 299.459 1.068 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC2CC2)[C@H](C)C1 ZINC001374388567 973911186 /nfs/dbraw/zinc/91/11/86/973911186.db2.gz WDYOPKKRQCENLN-HIFRSBDPSA-N 2 0 281.444 1.563 10 0 CDAERP C[C@H](C[N@H+](C)CC1=CCCCC1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001498450118 973921454 /nfs/dbraw/zinc/92/14/54/973921454.db2.gz KCGXKHAIBMFIIK-ZBFHGGJFSA-N 2 0 293.455 1.875 10 0 CDAERP CC[C@@H](F)C[N@H+](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001375096302 974258427 /nfs/dbraw/zinc/25/84/27/974258427.db2.gz UEGFJLHBEVNGRK-QWHCGFSZSA-N 2 0 287.423 1.513 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCCF ZINC001499954604 974343131 /nfs/dbraw/zinc/34/31/31/974343131.db2.gz FXRHXVLHSFXCRE-GJZGRUSLSA-N 2 0 299.434 1.801 10 0 CDAERP Cc1oncc1C[NH2+]C1(CNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001375556054 974421243 /nfs/dbraw/zinc/42/12/43/974421243.db2.gz PNOXSZQDMGEDLV-UHFFFAOYSA-N 2 0 294.399 1.062 10 0 CDAERP CO[C@@H](C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+](C)C ZINC001375593153 974431800 /nfs/dbraw/zinc/43/18/00/974431800.db2.gz TXOLLDWRHXMQMV-ILXRZTDVSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[NH+](C(C)C)C2 ZINC001501012824 974510184 /nfs/dbraw/zinc/51/01/84/974510184.db2.gz DFXLVFBWKGEZAG-ZNMIVQPWSA-N 2 0 281.444 1.704 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC[C@H](C)F)C1)[NH+](C)C ZINC001376467481 974668958 /nfs/dbraw/zinc/66/89/58/974668958.db2.gz ADHMAXGSNKILGI-WUHRBBMRSA-N 2 0 273.396 1.312 10 0 CDAERP CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)CCO1 ZINC001502077632 974688502 /nfs/dbraw/zinc/68/85/02/974688502.db2.gz ZIBKVEACLKJPGA-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP CO[C@@H](C)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)CC1 ZINC001502147534 974706981 /nfs/dbraw/zinc/70/69/81/974706981.db2.gz KVYZGPXERWXKLT-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP C[C@@H](CCNC(=O)CC[NH+](C)C)[NH2+]Cc1cccnc1 ZINC001377063838 974873180 /nfs/dbraw/zinc/87/31/80/974873180.db2.gz YNZHYGKDYVBFFB-ZDUSSCGKSA-N 2 0 278.400 1.018 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NCC[C@@H](C)[NH2+]C[C@@H]1CCCCO1 ZINC001377112794 974888091 /nfs/dbraw/zinc/88/80/91/974888091.db2.gz RCAGKYZMTBTCEW-CABCVRRESA-N 2 0 299.459 1.380 10 0 CDAERP C[C@@H]([NH2+]CC1CCC1)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001505621905 974941364 /nfs/dbraw/zinc/94/13/64/974941364.db2.gz NCPZLECBHMBXAB-OLZOCXBDSA-N 2 0 281.444 1.754 10 0 CDAERP O=C(C[NH+]1CCCC1)NCC[C@H]1CC[N@@H+](C/C=C\Cl)C1 ZINC001377719577 975119309 /nfs/dbraw/zinc/11/93/09/975119309.db2.gz KZWPWZYHHFNBRT-XSHSDMCLSA-N 2 0 299.846 1.663 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccns1 ZINC001377877086 975164107 /nfs/dbraw/zinc/16/41/07/975164107.db2.gz FECMQHADRFYLSS-RYUDHWBXSA-N 2 0 298.456 1.468 10 0 CDAERP C[NH+](C)CCC(=O)NC1C[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC001377923430 975176447 /nfs/dbraw/zinc/17/64/47/975176447.db2.gz YWVCJQWBGKRXAR-MCIONIFRSA-N 2 0 279.428 1.175 10 0 CDAERP CCC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)CC)C(C)(C)C1 ZINC001506751171 975215616 /nfs/dbraw/zinc/21/56/16/975215616.db2.gz RSELDXRHLSCHOO-ZDUSSCGKSA-N 2 0 269.433 1.565 10 0 CDAERP CCOCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001506749963 975216687 /nfs/dbraw/zinc/21/66/87/975216687.db2.gz WEGODBRSWOCEMX-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]CC2CCC2)C1 ZINC001506904234 975253838 /nfs/dbraw/zinc/25/38/38/975253838.db2.gz VEAZQEHVUDHROG-SHTZXODSSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@H](CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC1CCCC1 ZINC001507124799 975346820 /nfs/dbraw/zinc/34/68/20/975346820.db2.gz DOLFIDSQGGAYCZ-LSDHHAIUSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001401087705 975452850 /nfs/dbraw/zinc/45/28/50/975452850.db2.gz LQVAGDIJQQOECC-HUUCEWRRSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H](F)CC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C ZINC001507452367 975474800 /nfs/dbraw/zinc/47/48/00/975474800.db2.gz MCLQGMNCRVTZDT-UONOGXRCSA-N 2 0 299.434 1.657 10 0 CDAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@H]1C[C@H]([NH2+]CC2CC2)C1 ZINC001397138122 975476247 /nfs/dbraw/zinc/47/62/47/975476247.db2.gz BBMQSTYLFLUXTP-SDADXPQNSA-N 2 0 293.455 1.754 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001401130543 975477130 /nfs/dbraw/zinc/47/71/30/975477130.db2.gz SHPUWYCZRKEBDL-ZIAGYGMSSA-N 2 0 299.459 1.095 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH2+]CCCF)C(C)(C)C ZINC001508035513 975580907 /nfs/dbraw/zinc/58/09/07/975580907.db2.gz LLIVQMQDPMVEBB-ZDUSSCGKSA-N 2 0 289.439 1.807 10 0 CDAERP CC(C)[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]C/C=C\Cl ZINC001378993885 975581765 /nfs/dbraw/zinc/58/17/65/975581765.db2.gz ANIIZRVWJRPROL-FWWRYZNZSA-N 2 0 289.851 1.810 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001401376336 975631995 /nfs/dbraw/zinc/63/19/95/975631995.db2.gz IKDHKKITKOWMPX-HUUCEWRRSA-N 2 0 283.460 1.907 10 0 CDAERP CC[C@@H](C(=O)NCC1=CC[N@@H+]([C@@H](C)COC)CC1)[NH+](C)C ZINC001508220295 975642842 /nfs/dbraw/zinc/64/28/42/975642842.db2.gz SOHGJWGRBNQWOE-ZFWWWQNUSA-N 2 0 297.443 1.110 10 0 CDAERP CCC[N@H+](C)CC(=O)NCC1=CC[NH+](CC)CC1 ZINC001508229218 975645332 /nfs/dbraw/zinc/64/53/32/975645332.db2.gz LMBKXVNHSBMFRZ-UHFFFAOYSA-N 2 0 253.390 1.096 10 0 CDAERP CCC[N@@H+]1CC[C@@H](N(CC)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001405185678 975665455 /nfs/dbraw/zinc/66/54/55/975665455.db2.gz PBOFDHVDFCYZBU-HUUCEWRRSA-N 2 0 281.444 1.661 10 0 CDAERP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cncs1 ZINC001405345637 975720846 /nfs/dbraw/zinc/72/08/46/975720846.db2.gz NSWNMLVXCNXPCX-LBPRGKRZSA-N 2 0 296.440 1.223 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1C/C=C/Cl ZINC001397797827 975725565 /nfs/dbraw/zinc/72/55/65/975725565.db2.gz PFLHOZJJGIANSO-SQMDOARZSA-N 2 0 273.808 1.270 10 0 CDAERP CC(C)C[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001389520492 975883979 /nfs/dbraw/zinc/88/39/79/975883979.db2.gz ZACCLAOHXZTWBM-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[C@@H](C)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001389520506 975884236 /nfs/dbraw/zinc/88/42/36/975884236.db2.gz ZACCLAOHXZTWBM-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001405928924 975940730 /nfs/dbraw/zinc/94/07/30/975940730.db2.gz PXGZHDFUSBDZII-CABCVRRESA-N 2 0 281.444 1.469 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001379699865 976017080 /nfs/dbraw/zinc/01/70/80/976017080.db2.gz USGBLKPGKCDION-CABCVRRESA-N 2 0 281.444 1.613 10 0 CDAERP COC[C@@H](C)[NH2+]C[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001390112090 976123167 /nfs/dbraw/zinc/12/31/67/976123167.db2.gz WHFGAMPUKHHIHB-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1cncs1)[NH+](C)C ZINC001406378683 976158118 /nfs/dbraw/zinc/15/81/18/976158118.db2.gz KVRFTKAHGQPAFO-ZYHUDNBSSA-N 2 0 284.429 1.078 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1nc(C)cs1)[NH+](C)C ZINC001398987580 976275217 /nfs/dbraw/zinc/27/52/17/976275217.db2.gz VOXBRPKESPTBNK-CMPLNLGQSA-N 2 0 298.456 1.386 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001402497984 976315068 /nfs/dbraw/zinc/31/50/68/976315068.db2.gz XLPJULWCTNXZLR-SYQHCUMBSA-N 2 0 287.423 1.558 10 0 CDAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CCC(C)(C)C ZINC001390487571 976325096 /nfs/dbraw/zinc/32/50/96/976325096.db2.gz XTOVHQJTFCCVNI-UONOGXRCSA-N 2 0 283.460 1.859 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CC[NH+]1CCC1CC1 ZINC001406855928 976444416 /nfs/dbraw/zinc/44/44/16/976444416.db2.gz SMEWEGOAORMUGP-CVEARBPZSA-N 2 0 293.455 1.851 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001407036886 976521871 /nfs/dbraw/zinc/52/18/71/976521871.db2.gz XWTBVUHFNGFEDM-RDJZCZTQSA-N 2 0 295.471 1.909 10 0 CDAERP Cc1ncc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCCC[N@@H+]2C)o1 ZINC001402980786 976638792 /nfs/dbraw/zinc/63/87/92/976638792.db2.gz FZMBLNVZRQOMAR-RISCZKNCSA-N 2 0 294.399 1.062 10 0 CDAERP CCCC[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001391097294 976690936 /nfs/dbraw/zinc/69/09/36/976690936.db2.gz AQHCOOAIMIRDCL-LSDHHAIUSA-N 2 0 281.444 1.566 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccccn1)[NH+](C)C ZINC001403138301 976756420 /nfs/dbraw/zinc/75/64/20/976756420.db2.gz IFGGTSKGOJYMJX-DZGCQCFKSA-N 2 0 292.427 1.358 10 0 CDAERP C[C@H](F)CC[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001400227230 976938860 /nfs/dbraw/zinc/93/88/60/976938860.db2.gz FFUUPVIBEPBOBA-GJZGRUSLSA-N 2 0 299.434 1.611 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CCC[N@@H+](C[C@H](CC)OC)C1)[NH+](C)C ZINC001400292966 976968959 /nfs/dbraw/zinc/96/89/59/976968959.db2.gz OQZHONJNVSHFRO-SOUVJXGZSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)[NH2+][C@H](CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001381721362 976990381 /nfs/dbraw/zinc/99/03/81/976990381.db2.gz VQFKHJOIXFSGMU-HUUCEWRRSA-N 2 0 283.460 1.809 10 0 CDAERP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cncs1 ZINC001391661752 977029135 /nfs/dbraw/zinc/02/91/35/977029135.db2.gz JXGPBNHAWPKXPQ-WCQYABFASA-N 2 0 296.440 1.222 10 0 CDAERP CC[N@@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001381856299 977054688 /nfs/dbraw/zinc/05/46/88/977054688.db2.gz UYHUHXKQTXLREK-ZIAGYGMSSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1ocnc1C)[NH+](C)C ZINC001391937775 977156124 /nfs/dbraw/zinc/15/61/24/977156124.db2.gz QLDLQPJJMRLTRD-YPMHNXCESA-N 2 0 296.415 1.165 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]C/C=C\Cl)CN1C(=O)C12CC[NH+](CC1)C2 ZINC001382310725 977246766 /nfs/dbraw/zinc/24/67/66/977246766.db2.gz HGPMTYMEBFZJQQ-IAWSGBMASA-N 2 0 297.830 1.414 10 0 CDAERP CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CCCC1 ZINC001392255894 977286105 /nfs/dbraw/zinc/28/61/05/977286105.db2.gz ZPWPUDMVQXTEBD-HZPDHXFCSA-N 2 0 295.471 1.859 10 0 CDAERP CC[C@@H](C)C[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)C1CC1 ZINC001404286708 977399153 /nfs/dbraw/zinc/39/91/53/977399153.db2.gz PRRZQDWIFRKNSW-HUUCEWRRSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](F)CN1CC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001392877846 977634442 /nfs/dbraw/zinc/63/44/42/977634442.db2.gz PLLPUEVLLVWSIF-CABCVRRESA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)[NH+](C)CC(=O)N[C@]1(C)CC[N@@H+](CCC[C@H](C)O)C1 ZINC001393125596 977712307 /nfs/dbraw/zinc/71/23/07/977712307.db2.gz MNPCERYHSXWUFB-GOEBONIOSA-N 2 0 299.459 1.068 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001393925770 977967791 /nfs/dbraw/zinc/96/77/91/977967791.db2.gz GRKKWUGUGNFQOD-KBPBESRZSA-N 2 0 283.460 2.000 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]CCC(F)(F)F ZINC001393967024 977987915 /nfs/dbraw/zinc/98/79/15/977987915.db2.gz HHIBMYDZMRVZSH-VHSXEESVSA-N 2 0 283.338 1.373 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)C1C[NH+](CCC(F)(F)F)C1 ZINC001394251947 978118268 /nfs/dbraw/zinc/11/82/68/978118268.db2.gz OZIFXKAGEXDMPA-SNVBAGLBSA-N 2 0 295.349 1.327 10 0 CDAERP CCCC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C(C)(C)C1 ZINC001394313050 978130674 /nfs/dbraw/zinc/13/06/74/978130674.db2.gz TTYZCHYYUPUHTF-UONOGXRCSA-N 2 0 283.460 1.953 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccns2)C1 ZINC001394370862 978144337 /nfs/dbraw/zinc/14/43/37/978144337.db2.gz UEBHGTOPYMEWOG-HAQNSBGRSA-N 2 0 296.440 1.079 10 0 CDAERP CC(C)N(CC[N@H+](C)CC1CCC1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001394814426 978274499 /nfs/dbraw/zinc/27/44/99/978274499.db2.gz QKIQPSAUAYQJKB-MRXNPFEDSA-N 2 0 295.471 1.907 10 0 CDAERP CC/C=C/CC[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001492853268 978545069 /nfs/dbraw/zinc/54/50/69/978545069.db2.gz CQDMXNKOZBFZFD-GJBLVYBDSA-N 2 0 267.417 1.342 10 0 CDAERP C[C@H](C(=O)N[C@@H](C)CCC[NH2+]CCO)[NH+]1CCCCCC1 ZINC001675986273 1174171300 /nfs/dbraw/zinc/17/13/00/1174171300.db2.gz PMSHIMGOCPGFQH-LSDHHAIUSA-N 2 0 299.459 1.118 10 0 CDAERP CC(C)[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001571357493 1170382793 /nfs/dbraw/zinc/38/27/93/1170382793.db2.gz MGUIVJKYCVRCER-KBPBESRZSA-N 2 0 267.417 1.316 10 0 CDAERP CCC[N@H+](C)CC(=O)NCC1=CC[NH+](C[C@H](F)CC)CC1 ZINC001571699453 1170527141 /nfs/dbraw/zinc/52/71/41/1170527141.db2.gz REBJFVQNPHNRIP-OAHLLOKOSA-N 2 0 299.434 1.825 10 0 CDAERP CC(C)(C)[NH2+]C[C@H](O)CO[C@@H]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000675080467 539085928 /nfs/dbraw/zinc/08/59/28/539085928.db2.gz QTBNQZIQLGWSGZ-RQJABVFESA-N 2 0 270.417 1.283 10 0 CDAERP CC(C)C[N@H+](C)CCCN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000650741053 398171856 /nfs/dbraw/zinc/17/18/56/398171856.db2.gz WYCYGLPMZOSIJH-LSDHHAIUSA-N 2 0 255.450 1.942 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCC2(C[NH3+])CC2)[C@H]2CCC[C@H]21 ZINC000650746958 398173661 /nfs/dbraw/zinc/17/36/61/398173661.db2.gz OKVRPKNDTJZKIK-HZSPNIEDSA-N 3 0 251.418 1.578 10 0 CDAERP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000650746550 398174137 /nfs/dbraw/zinc/17/41/37/398174137.db2.gz FIAGVGQEPQFNSS-NSHDSACASA-N 2 0 289.379 1.797 10 0 CDAERP C[N@@H+](Cc1cc[nH+]c(NN)c1)C[C@@H]1CCCOC1 ZINC000082545323 178088939 /nfs/dbraw/zinc/08/89/39/178088939.db2.gz ILADUZFIZQETOO-LBPRGKRZSA-N 2 0 250.346 1.226 10 0 CDAERP CCOC(=O)c1ccc(OCCC[NH3+])c(OCCC[NH3+])c1 ZINC000149699231 342003296 /nfs/dbraw/zinc/00/32/96/342003296.db2.gz AKDRMCMIHOAUJM-UHFFFAOYSA-N 2 0 296.367 1.319 10 0 CDAERP CCOC(=O)c1ccc([C@H]2CCCN2CC[NH3+])cc1 ZINC000616608564 361833991 /nfs/dbraw/zinc/83/39/91/361833991.db2.gz VPMVZWSDRZTJHU-CQSZACIVSA-N 2 0 262.353 1.959 10 0 CDAERP CCOC(=O)CCC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592181520 342679304 /nfs/dbraw/zinc/67/93/04/342679304.db2.gz GQRQASGSZGAPAS-UHFFFAOYSA-N 2 0 284.400 1.126 10 0 CDAERP CCOC(=O)CC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000592479414 342699376 /nfs/dbraw/zinc/69/93/76/342699376.db2.gz XKIIURJHZAJEOH-CHWSQXEVSA-N 2 0 254.374 1.404 10 0 CDAERP Cc1ccc(CNCC2([NH3+])CCOCC2)cc1F ZINC000629388631 361892667 /nfs/dbraw/zinc/89/26/67/361892667.db2.gz UXLGUCKWMZGJEG-UHFFFAOYSA-N 2 0 252.333 1.732 10 0 CDAERP [NH3+]C1(C[NH2+][C@@H]2CCc3ccccc3C2)CCOCC1 ZINC000629387200 361897257 /nfs/dbraw/zinc/89/72/57/361897257.db2.gz FQMXXRMZMCFLCZ-OAHLLOKOSA-N 2 0 260.381 1.641 10 0 CDAERP CCOC(=O)CC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000593728619 342829921 /nfs/dbraw/zinc/82/99/21/342829921.db2.gz AJDBHIRRBMRVQD-MJBXVCDLSA-N 2 0 284.400 1.300 10 0 CDAERP CC(C)(C)n1cc(C[NH2+]CCOCCC[NH3+])cn1 ZINC000629399148 361931037 /nfs/dbraw/zinc/93/10/37/361931037.db2.gz MSBMPHNCWQCDTA-UHFFFAOYSA-N 2 0 254.378 1.093 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)C[C@H]1C ZINC000600681780 342242263 /nfs/dbraw/zinc/24/22/63/342242263.db2.gz JUNHWXIWINBDBM-MBJXGIAVSA-N 2 0 268.401 1.694 10 0 CDAERP COC(=O)CCCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000600708794 342243238 /nfs/dbraw/zinc/24/32/38/342243238.db2.gz GKXNAPXBKSKGPR-KFWWJZLASA-N 2 0 298.427 1.691 10 0 CDAERP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)[C@@H]1C ZINC000600713345 342244078 /nfs/dbraw/zinc/24/40/78/342244078.db2.gz HUHVKTIZFAHWGV-QNWJLWSRSA-N 2 0 254.374 1.304 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCCCC(=O)OC)[C@@H](C)C1 ZINC000599332184 344021054 /nfs/dbraw/zinc/02/10/54/344021054.db2.gz MHSAQWDZXWTLGO-UONOGXRCSA-N 2 0 270.417 1.992 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000594951153 342982222 /nfs/dbraw/zinc/98/22/22/342982222.db2.gz RXXIKQPMIWRAKD-MGBPRESASA-N 2 0 268.401 1.646 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@H](C)[C@@H]2C[C@H]2C(=O)OC)CC1 ZINC000594919297 342986360 /nfs/dbraw/zinc/98/63/60/342986360.db2.gz HPXICZYNBIMBFY-VHDGCEQUSA-N 2 0 282.428 1.896 10 0 CDAERP CCSCC[C@@H](C)[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000595884945 343180176 /nfs/dbraw/zinc/18/01/76/343180176.db2.gz JQQSSMLZHOEHMH-CHWSQXEVSA-N 2 0 272.458 1.971 10 0 CDAERP CC(C)C[C@@H]([NH3+])CN1CCC[C@@H]1C(=O)NC1CC1 ZINC000414669537 365738973 /nfs/dbraw/zinc/73/89/73/365738973.db2.gz BOURNKFJXULMGN-DGCLKSJQSA-N 2 0 253.390 1.103 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@H]1COc2cccc(C)c2C1 ZINC000629512994 362122468 /nfs/dbraw/zinc/12/24/68/362122468.db2.gz DOAHEYZNFHSZMX-ZIAGYGMSSA-N 2 0 278.396 1.642 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000645105265 362118443 /nfs/dbraw/zinc/11/84/43/362118443.db2.gz XSXMUQHBRMDLLE-YNEHKIRRSA-N 2 0 253.390 1.104 10 0 CDAERP CC(C)[NH2+]CCC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645104889 362118683 /nfs/dbraw/zinc/11/86/83/362118683.db2.gz TZLMWOCSZLRERO-KGLIPLIRSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCC1([NH3+])CCOCC1 ZINC000629520407 362134388 /nfs/dbraw/zinc/13/43/88/362134388.db2.gz LBLPKGLLTINFBU-DZGCQCFKSA-N 2 0 277.412 1.042 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000629528186 362153153 /nfs/dbraw/zinc/15/31/53/362153153.db2.gz RTSZONLEXZDWIF-AHDPXTMNSA-N 2 0 251.418 1.589 10 0 CDAERP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCOC1CCOCC1 ZINC000629531800 362163057 /nfs/dbraw/zinc/16/30/57/362163057.db2.gz YISRCBOACROPGB-ZDUSSCGKSA-N 2 0 256.390 1.385 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000629531617 362163387 /nfs/dbraw/zinc/16/33/87/362163387.db2.gz RLEDWTHEYMKTCD-UONOGXRCSA-N 3 0 257.422 1.123 10 0 CDAERP Cc1cc(C[C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)[nH]n1 ZINC000090528791 342396256 /nfs/dbraw/zinc/39/62/56/342396256.db2.gz RDIDPLVMPHQJNF-CORIIIEPSA-N 2 0 262.401 1.866 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@H]([NH3+])CC(F)F)cc1 ZINC000572958932 362250657 /nfs/dbraw/zinc/25/06/57/362250657.db2.gz RTRJTTCTPVTFQQ-LDYMZIIASA-N 2 0 271.311 1.305 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2ccco2)CC1(C)C ZINC000623454331 346988804 /nfs/dbraw/zinc/98/88/04/346988804.db2.gz ABXBQXPKDWIFMP-KBPBESRZSA-N 2 0 280.412 1.893 10 0 CDAERP C[C@]1(CN2CCC[C@H]([NH+]3CCCC3)C2)CC[NH2+]C1 ZINC000261969984 300796539 /nfs/dbraw/zinc/79/65/39/300796539.db2.gz IDJBSCLSQVDBPQ-GJZGRUSLSA-N 2 0 251.418 1.546 10 0 CDAERP C[N@H+](CCCC[NH+]1CCCCC1)C[C@@]1(O)CCCOC1 ZINC000640535072 362405228 /nfs/dbraw/zinc/40/52/28/362405228.db2.gz ZUGLYAGGUVPRTO-INIZCTEOSA-N 2 0 284.444 1.726 10 0 CDAERP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CCC[NH+](C)C1 ZINC000603593357 344820375 /nfs/dbraw/zinc/82/03/75/344820375.db2.gz CHENFTZBMBRFBG-GJZGRUSLSA-N 2 0 296.459 1.644 10 0 CDAERP C[NH+]1[C@@H]2CCC[C@H]1CC(NC(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC000608145786 345618601 /nfs/dbraw/zinc/61/86/01/345618601.db2.gz PORLUAFYJLWPAF-DKUMPPAJSA-N 2 0 279.428 1.602 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079512371 362645060 /nfs/dbraw/zinc/64/50/60/362645060.db2.gz RORHOQVVCFHZIN-GXTWGEPZSA-N 2 0 255.406 1.221 10 0 CDAERP C[N@H+](CCNC(=O)[C@]1(C)CCC[NH2+]1)C1CCCC1 ZINC000079521552 362660752 /nfs/dbraw/zinc/66/07/52/362660752.db2.gz UNQKAEDHCCAAPD-AWEZNQCLSA-N 2 0 253.390 1.119 10 0 CDAERP CC[C@@H](C(=O)N(CC)[C@@H]1CC[N@H+](C)C1)[NH+](CC)CC ZINC000617555316 345850210 /nfs/dbraw/zinc/85/02/10/345850210.db2.gz ULSGRIYSWSXIHA-KGLIPLIRSA-N 2 0 269.433 1.659 10 0 CDAERP C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000617757861 345956458 /nfs/dbraw/zinc/95/64/58/345956458.db2.gz CEWKEAUBKQKONN-AVGNSLFASA-N 2 0 255.406 1.173 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CCCN2CCC[NH+](C)CC2)CC1(C)C ZINC000623405101 346182128 /nfs/dbraw/zinc/18/21/28/346182128.db2.gz YAVGXPFHDHOGEW-MRXNPFEDSA-N 3 0 296.503 1.476 10 0 CDAERP C[NH+](C)CCc1ccc(C[NH2+]C[C@@H](O)C(F)(F)F)cc1 ZINC000516922893 260285416 /nfs/dbraw/zinc/28/54/16/260285416.db2.gz URJZUSIWOQHAQF-CYBMUJFWSA-N 2 0 290.329 1.804 10 0 CDAERP COCC1CC[NH+](CCCC[C@@](C)(O)C[NH3+])CC1 ZINC000085302493 179011383 /nfs/dbraw/zinc/01/13/83/179011383.db2.gz CUIFUPIALYCTKU-CQSZACIVSA-N 2 0 258.406 1.225 10 0 CDAERP C[NH+](C)C[C@@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000085370825 179040633 /nfs/dbraw/zinc/04/06/33/179040633.db2.gz TVZGEGXSEWGIIF-QLFBSQMISA-N 2 0 275.396 1.533 10 0 CDAERP C[C@@H](C(N)=O)[N@@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403718 179053113 /nfs/dbraw/zinc/05/31/13/179053113.db2.gz WSVYLLRHLXUCGK-WCQYABFASA-N 2 0 253.390 1.104 10 0 CDAERP O[C@H](C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)COCc1ccco1 ZINC000037904680 346371031 /nfs/dbraw/zinc/37/10/31/346371031.db2.gz BQGIJIPPSNNDKO-DZGCQCFKSA-N 2 0 294.395 1.231 10 0 CDAERP CC[C@@H](C)[C@@H]1C[N@H+](CCCn2ccnc2)CCC[NH2+]1 ZINC000085608958 179101347 /nfs/dbraw/zinc/10/13/47/179101347.db2.gz KNAQINLDXJIRHY-CABCVRRESA-N 2 0 264.417 1.983 10 0 CDAERP CCCCOC[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000227894978 346533684 /nfs/dbraw/zinc/53/36/84/346533684.db2.gz QXSQJMCKVMWPHF-BFHYXJOUSA-N 2 0 258.406 1.236 10 0 CDAERP O=C(NC1CC[NH+](CCc2ccccc2)CC1)C1C[NH2+]C1 ZINC000263335634 362782931 /nfs/dbraw/zinc/78/29/31/362782931.db2.gz WEBWUPXVSRMNJY-UHFFFAOYSA-N 2 0 287.407 1.029 10 0 CDAERP COC(=O)C1(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000450594130 362837103 /nfs/dbraw/zinc/83/71/03/362837103.db2.gz CHEKIJRIAMDNDN-UKRRQHHQSA-N 2 0 292.423 1.888 10 0 CDAERP C[NH+](C)CCCN1CC[NH2+][C@H](C2CCCCC2)C1 ZINC000086127428 179236071 /nfs/dbraw/zinc/23/60/71/179236071.db2.gz AJCRYEDAKOZSNQ-HNNXBMFYSA-N 2 0 253.434 1.792 10 0 CDAERP CC[C@H](C)[C@H]1CN(CC2CC[NH+](C)CC2)CC[NH2+]1 ZINC000086145640 179237352 /nfs/dbraw/zinc/23/73/52/179237352.db2.gz QIICBZAUJVPVJC-DZGCQCFKSA-N 2 0 253.434 1.648 10 0 CDAERP CC(C)[C@H]1CN(C[C@@H]2CCC[N@H+](C)C2)[C@@H](C)C[NH2+]1 ZINC000086173726 179244591 /nfs/dbraw/zinc/24/45/91/179244591.db2.gz VUPHFOIQIFLDET-RRFJBIMHSA-N 2 0 253.434 1.647 10 0 CDAERP CC[NH+]1CCC(C[N@@H+]2CCN[C@](C)(CC)C2)CC1 ZINC000086145698 179238979 /nfs/dbraw/zinc/23/89/79/179238979.db2.gz OEMXJQJQVXOKFH-OAHLLOKOSA-N 2 0 253.434 1.792 10 0 CDAERP CC[C@H](C)[C@H]1CN([C@@H]2CC[N@@H+](C3CC3)C2)CC[NH2+]1 ZINC000086145970 179239159 /nfs/dbraw/zinc/23/91/59/179239159.db2.gz ZNHKJGYQGKCYAH-NWANDNLSSA-N 2 0 251.418 1.543 10 0 CDAERP CC(C)[C@@H]1C[NH2+][C@H](C2CC2)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223108 179250591 /nfs/dbraw/zinc/25/05/91/179250591.db2.gz PHJMCIUNRPMKCF-KBMXLJTQSA-N 2 0 265.445 1.647 10 0 CDAERP COC[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C1CCOCC1 ZINC000623562864 347634089 /nfs/dbraw/zinc/63/40/89/347634089.db2.gz GDAYNOTUYNPTAE-HUUCEWRRSA-N 2 0 284.444 1.890 10 0 CDAERP CC(=O)N1CCC[C@@H](C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623511179 347611446 /nfs/dbraw/zinc/61/14/46/347611446.db2.gz CQPONFHGFPBMLV-GJZGRUSLSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H]1CN(C(=O)NC/C=C/C[NH3+])CC[N@@H+](C2CCC2)C1 ZINC000641863111 365948391 /nfs/dbraw/zinc/94/83/91/365948391.db2.gz XZJDVCNUXLNOAZ-IBUXWKBASA-N 2 0 280.416 1.017 10 0 CDAERP C[C@H](Cc1c[nH]cn1)C(=O)N1CC[C@@H](N2CCC2)[C@@H](F)C1 ZINC000614102965 348002391 /nfs/dbraw/zinc/00/23/91/348002391.db2.gz JWKPPVJLHTYINZ-KWCYVHTRSA-N 2 0 294.374 1.233 10 0 CDAERP C[NH+]1CCC(C(=O)N2CCC3(C2)CC[NH+](C)CC3)CC1 ZINC000614964803 348287962 /nfs/dbraw/zinc/28/79/62/348287962.db2.gz XPVOODJBOBBILG-UHFFFAOYSA-N 2 0 279.428 1.273 10 0 CDAERP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)CCN(C)c1cc[nH+]cc1 ZINC000615306657 348432934 /nfs/dbraw/zinc/43/29/34/348432934.db2.gz AFUXJFCWNWPNQT-HIFRSBDPSA-N 2 0 290.411 1.459 10 0 CDAERP C[C@H]([NH2+]CCOCCC[NH3+])c1ccc2c(c1)CCC(=O)N2 ZINC000629536264 362950633 /nfs/dbraw/zinc/95/06/33/362950633.db2.gz GJEBOUDMGSRUTI-LBPRGKRZSA-N 2 0 291.395 1.587 10 0 CDAERP C[NH+]1CCC(CC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000363774819 282690779 /nfs/dbraw/zinc/69/07/79/282690779.db2.gz HVQMLEJLADDTKB-MRXNPFEDSA-N 2 0 293.455 1.663 10 0 CDAERP CC(C)CN(C(=O)[C@@H]([NH3+])COC(C)C)C1CC[NH+](C)CC1 ZINC000659317829 412552821 /nfs/dbraw/zinc/55/28/21/412552821.db2.gz RXEDCISZVDUJRM-HNNXBMFYSA-N 2 0 299.459 1.318 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@H]1CCc2c1cccc2F ZINC000629535261 362961086 /nfs/dbraw/zinc/96/10/86/362961086.db2.gz DFAAAETWYOPSGT-AWEZNQCLSA-N 2 0 252.333 1.768 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)CC[NH2+]1 ZINC000414694871 365967472 /nfs/dbraw/zinc/96/74/72/365967472.db2.gz GIJCHLUCEHXKPT-GMTAPVOTSA-N 2 0 266.307 1.374 10 0 CDAERP Cc1noc([C@@H]2OCC[C@@H]2[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000629545770 362970438 /nfs/dbraw/zinc/97/04/38/362970438.db2.gz PJGLAUKMMARBJL-WISYIIOYSA-N 2 0 266.345 1.068 10 0 CDAERP O=C(CC[C@@H]1CCC[NH2+]C1)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000621667684 350703396 /nfs/dbraw/zinc/70/33/96/350703396.db2.gz JKPNZXLQFWWNFR-UONOGXRCSA-N 2 0 279.428 1.557 10 0 CDAERP CC(C)(C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C(=O)N1CCCC1 ZINC000629548284 362976928 /nfs/dbraw/zinc/97/69/28/362976928.db2.gz NDDRMONHYXPHAX-RBSFLKMASA-N 2 0 293.455 1.613 10 0 CDAERP [NH3+]C1(CNC(=O)CC[C@@H]2CCC[NH2+]C2)CCCCCC1 ZINC000621621124 350677916 /nfs/dbraw/zinc/67/79/16/350677916.db2.gz SCYOWOLHJNBFIY-AWEZNQCLSA-N 2 0 281.444 1.934 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC[C@H](O)C[NH+]1CCCC1 ZINC000629558989 363001442 /nfs/dbraw/zinc/00/14/42/363001442.db2.gz BSFVCCIERCLBDS-XHSDSOJGSA-N 2 0 283.460 1.296 10 0 CDAERP Cc1ccc(CC[C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)o1 ZINC000629565955 363010741 /nfs/dbraw/zinc/01/07/41/363010741.db2.gz RCYWGKHAYLCLTC-DZGCQCFKSA-N 2 0 280.412 1.955 10 0 CDAERP COC1CCC(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000629568246 363019889 /nfs/dbraw/zinc/01/98/89/363019889.db2.gz PDLAHLAEPYQFEJ-SHARSMKWSA-N 2 0 270.417 1.238 10 0 CDAERP CN1CC[C@H](C[NH3+])[C@H]1c1ccc(Br)o1 ZINC000250659897 366083936 /nfs/dbraw/zinc/08/39/36/366083936.db2.gz YMPWEWOZGDXGLX-XCBNKYQSSA-N 2 0 259.147 1.994 10 0 CDAERP CCC([NH3+])(CC)CNC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418443989 535190066 /nfs/dbraw/zinc/19/00/66/535190066.db2.gz GFYOSPFXUVUFDV-ZDUSSCGKSA-N 2 0 278.400 1.503 10 0 CDAERP [NH3+]CC1CCC([NH2+]Cc2cn3c(n2)CCCC3)CC1 ZINC000333882539 363202987 /nfs/dbraw/zinc/20/29/87/363202987.db2.gz WMPZKBQRVHWTDG-UHFFFAOYSA-N 2 0 262.401 1.827 10 0 CDAERP O=C(NCCC[C@H]1CCC[NH2+]1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000641988301 366093165 /nfs/dbraw/zinc/09/31/65/366093165.db2.gz SHNDJWFIEOTRPT-MCIONIFRSA-N 2 0 280.416 1.055 10 0 CDAERP C[NH2+]CCOCCN(C)Cc1c(C)nc2sc(C)nn12 ZINC000629654942 363257714 /nfs/dbraw/zinc/25/77/14/363257714.db2.gz UMWOYDCAAOQFKX-UHFFFAOYSA-N 2 0 297.428 1.075 10 0 CDAERP COC[C@H](C)C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629655827 363259494 /nfs/dbraw/zinc/25/94/94/363259494.db2.gz YVWPLYKMWVJOLI-MXWKQRLJSA-N 2 0 268.323 1.728 10 0 CDAERP COC1([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)CCOCC1 ZINC000453059249 363283674 /nfs/dbraw/zinc/28/36/74/363283674.db2.gz KRPLZXLAGTYELP-HUUCEWRRSA-N 2 0 284.444 1.892 10 0 CDAERP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccc(F)cc1 ZINC000644524057 366142298 /nfs/dbraw/zinc/14/22/98/366142298.db2.gz OMQDWVSYGBVHST-ZACQAIPSSA-N 2 0 292.398 1.946 10 0 CDAERP C(O[C@@H]1CC[NH2+]C1)C1CC[NH+](C[C@@H]2CCSC2)CC1 ZINC000629673538 363319910 /nfs/dbraw/zinc/31/99/10/363319910.db2.gz UFJGVHIESLTNRZ-LSDHHAIUSA-N 2 0 284.469 1.830 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H](O)C(F)(F)F)CC1(C)C ZINC000628278930 363366283 /nfs/dbraw/zinc/36/62/83/363366283.db2.gz MTCYTSGVJKXUAS-VHSXEESVSA-N 2 0 268.323 1.762 10 0 CDAERP C[NH+](C)Cc1cccc(NC(=O)C2([NH3+])CCOCC2)c1 ZINC000132101454 358493575 /nfs/dbraw/zinc/49/35/75/358493575.db2.gz YZHZZRXSAZJURP-UHFFFAOYSA-N 2 0 277.368 1.195 10 0 CDAERP C[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH+]2CCCO)[C@@H]2CCC[C@@H]21 ZINC000453266941 283136972 /nfs/dbraw/zinc/13/69/72/283136972.db2.gz OUZBFGDRDDEXAZ-QAETUUGQSA-N 2 0 295.471 1.296 10 0 CDAERP O=C(C[C@@H]1CCC[NH2+]CC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000336415919 356171444 /nfs/dbraw/zinc/17/14/44/356171444.db2.gz ZYFDNWBMUULCES-KGLIPLIRSA-N 2 0 265.401 1.073 10 0 CDAERP CC(C)[C@@H]([NH3+])C(=O)NC1CCN(c2ccccn2)CC1 ZINC000037008432 356306216 /nfs/dbraw/zinc/30/62/16/356306216.db2.gz MWCOIYJZAYXYCM-CQSZACIVSA-N 2 0 276.384 1.150 10 0 CDAERP CC[NH+](CC)CCCCNC(=O)c1c[nH+]ccc1N(C)C ZINC000273556095 192202260 /nfs/dbraw/zinc/20/22/60/192202260.db2.gz CQRNFVDBCHIOIW-UHFFFAOYSA-N 2 0 292.427 1.999 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634765860 358503333 /nfs/dbraw/zinc/50/33/33/358503333.db2.gz HPSVEKLTCJSLMN-DZKIICNBSA-N 2 0 281.444 1.469 10 0 CDAERP CC[N@@H+]1CC[C@@H](C[NH2+]C2CCN(c3ccccn3)CC2)C1 ZINC000037644404 356510611 /nfs/dbraw/zinc/51/06/11/356510611.db2.gz SILNZYYCDSTNDV-HNNXBMFYSA-N 2 0 288.439 1.982 10 0 CDAERP CC1(C)C[NH+]([C@H]2C[C@@H]([NH3+])C23CCOCC3)CC(C)(C)O1 ZINC000725264432 538455633 /nfs/dbraw/zinc/45/56/33/538455633.db2.gz NHQNJEWBIKCNLV-OLZOCXBDSA-N 2 0 282.428 1.772 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@H+]([C@H]2C[C@H]([NH3+])C23CCOCC3)C1 ZINC000725264368 538455642 /nfs/dbraw/zinc/45/56/42/538455642.db2.gz JBBTWCBICOVLJG-CRWXNKLISA-N 2 0 252.402 1.861 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NC(C)(C)C[NH3+] ZINC000417537474 290501961 /nfs/dbraw/zinc/50/19/61/290501961.db2.gz SFLCTLGSSFNEHU-RYUDHWBXSA-N 2 0 270.421 1.286 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000341054028 366344059 /nfs/dbraw/zinc/34/40/59/366344059.db2.gz KFCYOTCLTDMXPG-KKUMJFAQSA-N 2 0 298.475 1.841 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC000349141065 283228435 /nfs/dbraw/zinc/22/84/35/283228435.db2.gz CBRWSFJUKGYINR-AWEZNQCLSA-N 2 0 269.433 1.661 10 0 CDAERP CC(C)([NH3+])CC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000084182706 357120174 /nfs/dbraw/zinc/12/01/74/357120174.db2.gz FHPXTTWKLIPSKV-UHFFFAOYSA-N 2 0 267.417 1.448 10 0 CDAERP CN1CCCC[C@H]([N@H+](C)CCCn2ccnc2)C1=O ZINC000634742833 358190640 /nfs/dbraw/zinc/19/06/40/358190640.db2.gz ZFHOGMPJYITRKD-ZDUSSCGKSA-N 2 0 264.373 1.216 10 0 CDAERP C[C@H]1CCC[C@@](CNC(=O)C2([NH3+])CCOCC2)([NH+](C)C)C1 ZINC000132223967 358531753 /nfs/dbraw/zinc/53/17/53/358531753.db2.gz FFVJNMIJHHUUNS-DZGCQCFKSA-N 2 0 297.443 1.121 10 0 CDAERP C[NH+](C)C1(CNC(=O)C[C@H]2CCC[NH2+]C2)CCCCC1 ZINC000054308641 358712171 /nfs/dbraw/zinc/71/21/71/358712171.db2.gz JZGCKLKNOQLZKW-CQSZACIVSA-N 2 0 281.444 1.757 10 0 CDAERP [NH3+]C1(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CCCCC1 ZINC000370707059 283405913 /nfs/dbraw/zinc/40/59/13/283405913.db2.gz BNJUOJPQWWCKEN-MJBXVCDLSA-N 2 0 279.428 1.685 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC2=[NH+]CCCN2)C1 ZINC000261886257 359077894 /nfs/dbraw/zinc/07/78/94/359077894.db2.gz RZQFKFKWEPRMOL-BETUJISGSA-N 2 0 266.433 1.682 10 0 CDAERP C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2C[C@]2(C)CC[NH2+]C2)C[C@H](C)O1 ZINC000261894699 359081621 /nfs/dbraw/zinc/08/16/21/359081621.db2.gz UOVNOKBAADSIDY-VVLHAWIVSA-N 2 0 295.471 1.560 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261929540 359093439 /nfs/dbraw/zinc/09/34/39/359093439.db2.gz ZTZYVYARVBEQNG-QLFBSQMISA-N 2 0 279.428 1.319 10 0 CDAERP O=C([C@@H]1CC12CC[NH2+]CC2)N1CCC(c2c[nH]cn2)CC1 ZINC000261983900 359113066 /nfs/dbraw/zinc/11/30/66/359113066.db2.gz WTLAESRAZLZFAX-ZDUSSCGKSA-N 2 0 288.395 1.505 10 0 CDAERP C[NH2+]C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000237081757 359257533 /nfs/dbraw/zinc/25/75/33/359257533.db2.gz XVOCNOYUQZWZCO-ZDUSSCGKSA-N 2 0 267.417 1.461 10 0 CDAERP C[C@H](C[C@@H]1COCC[NH2+]1)NCC[N@@H+]1CCCC[C@H]1C ZINC000422857465 359662252 /nfs/dbraw/zinc/66/22/52/359662252.db2.gz HRJUZTNKXRPXNB-RBSFLKMASA-N 2 0 269.433 1.217 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000422999567 359708209 /nfs/dbraw/zinc/70/82/09/359708209.db2.gz SRKDFOMWKAGFEC-HZPDHXFCSA-N 3 0 285.476 1.698 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000422987546 359700995 /nfs/dbraw/zinc/70/09/95/359700995.db2.gz GLOOLLUSOIHANR-CQSZACIVSA-N 2 0 280.416 1.842 10 0 CDAERP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2COCC2(C)C)CC[NH2+]CC1 ZINC000423167825 359755278 /nfs/dbraw/zinc/75/52/78/359755278.db2.gz XHPWWYSPKIKSOH-CHWSQXEVSA-N 2 0 298.427 1.322 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CCC([NH3+])CC2)[C@@H](C)C1 ZINC000335301216 359719114 /nfs/dbraw/zinc/71/91/14/359719114.db2.gz GQVRQKGIFUKFST-PPWQZUPISA-N 2 0 296.459 1.628 10 0 CDAERP CN(CC[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](C2CC2)C1 ZINC000336697881 359732573 /nfs/dbraw/zinc/73/25/73/359732573.db2.gz GAGPLGZTLRNMBG-DZGCQCFKSA-N 2 0 251.418 1.639 10 0 CDAERP CC[C@@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000572608325 363665357 /nfs/dbraw/zinc/66/53/57/363665357.db2.gz QQDCRDGTZFVNKV-DLBZAZTESA-N 2 0 291.439 1.336 10 0 CDAERP C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000366666585 283496942 /nfs/dbraw/zinc/49/69/42/283496942.db2.gz DLBKMHBUAIJJQA-BNOWGMLFSA-N 2 0 265.401 1.118 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000336819651 359871374 /nfs/dbraw/zinc/87/13/74/359871374.db2.gz ABIBCKOLIQKBGU-HZPDHXFCSA-N 2 0 281.444 1.125 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000456521064 363694047 /nfs/dbraw/zinc/69/40/47/363694047.db2.gz BZLRLKFAUNWGGO-AWEZNQCLSA-N 2 0 281.444 1.661 10 0 CDAERP Cc1cnn(CC[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000336845741 359915956 /nfs/dbraw/zinc/91/59/56/359915956.db2.gz DGTQPYUHHIASNA-UHFFFAOYSA-N 2 0 293.459 1.149 10 0 CDAERP CC[C@H]1C[C@H](C[NH+]2CCC([N@H+](C)CCCO)CC2)CCO1 ZINC000356979012 366668728 /nfs/dbraw/zinc/66/87/28/366668728.db2.gz ZUIXMHGTWMGPOV-WBVHZDCISA-N 2 0 298.471 1.970 10 0 CDAERP C[NH2+]C1CCN(C[C@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000564988085 359979914 /nfs/dbraw/zinc/97/99/14/359979914.db2.gz DMMOXZFHNUNPAR-AWEZNQCLSA-N 2 0 277.412 1.421 10 0 CDAERP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cn4cccnc4n3)C2)CC1 ZINC000298168192 200350535 /nfs/dbraw/zinc/35/05/35/200350535.db2.gz TYJUTUYMSARLLC-HNNXBMFYSA-N 2 0 299.422 1.893 10 0 CDAERP O[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000643494177 360147872 /nfs/dbraw/zinc/14/78/72/360147872.db2.gz OJYNVACBZVFOPV-JYYAWHABSA-N 2 0 288.391 1.745 10 0 CDAERP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@]2(C)CCCS2)CC1 ZINC000380919995 360157813 /nfs/dbraw/zinc/15/78/13/360157813.db2.gz LMSSDNZIWDUTFY-HNNXBMFYSA-N 2 0 285.501 1.888 10 0 CDAERP CC(C)[NH+]1CCN(CCC[NH2+][C@H]2CCOC[C@H]2C)CC1 ZINC000337483758 360170691 /nfs/dbraw/zinc/17/06/91/360170691.db2.gz XKJJVBOLMYTYNN-CVEARBPZSA-N 2 0 283.460 1.417 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000335422912 360252119 /nfs/dbraw/zinc/25/21/19/360252119.db2.gz IOAXDZHEYJGWGD-RDJZCZTQSA-N 2 0 293.455 1.853 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000335405066 360225326 /nfs/dbraw/zinc/22/53/26/360225326.db2.gz CKKIYPRONTZPDJ-CQSZACIVSA-N 2 0 279.428 1.605 10 0 CDAERP COCC[N@H+](C)CCC[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000628202192 360241170 /nfs/dbraw/zinc/24/11/70/360241170.db2.gz KRYMGUWHKRLAIC-LLVKDONJSA-N 2 0 264.360 1.978 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1sccc1C[NH+](C)C ZINC000335501535 360274077 /nfs/dbraw/zinc/27/40/77/360274077.db2.gz DBBONIOCPSHPBI-ONGXEEELSA-N 2 0 267.398 1.371 10 0 CDAERP CC[C@H](NC[C@@H](O)C[NH+](C)C)c1cccc(OC)c1 ZINC000154269467 360330432 /nfs/dbraw/zinc/33/04/32/360330432.db2.gz JMZDABYSOCBHKM-HIFRSBDPSA-N 2 0 266.385 1.658 10 0 CDAERP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000335485115 360346228 /nfs/dbraw/zinc/34/62/28/360346228.db2.gz GWYYYTUJWLQQKR-ZFWWWQNUSA-N 2 0 288.395 1.006 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccccc1CC[NH3+] ZINC000515066620 360430703 /nfs/dbraw/zinc/43/07/03/360430703.db2.gz HMERYTUONLFCJL-AWEZNQCLSA-N 2 0 289.423 1.792 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000516283764 360590680 /nfs/dbraw/zinc/59/06/80/360590680.db2.gz IRTZDFNKDSHTRX-CYBMUJFWSA-N 2 0 290.411 1.290 10 0 CDAERP C(C[NH+]1CCCC1)OC1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634992787 360625570 /nfs/dbraw/zinc/62/55/70/360625570.db2.gz ARCZOPIVQUYGAU-UHFFFAOYSA-N 2 0 293.455 1.315 10 0 CDAERP C[C@@H]1CC[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000335644886 360658597 /nfs/dbraw/zinc/65/85/97/360658597.db2.gz XBMQZOOFDXPJPO-YHNBSYBMSA-N 2 0 265.445 1.981 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C[NH2+]1 ZINC000626938009 360658740 /nfs/dbraw/zinc/65/87/40/360658740.db2.gz LYDPGTFKGUJBJH-RFGFWPKPSA-N 2 0 280.416 1.053 10 0 CDAERP C[C@H](CNC(=O)N[C@H]1CC[C@H](C)[NH2+]C1)C[NH+]1CCCCC1 ZINC000626943367 360670996 /nfs/dbraw/zinc/67/09/96/360670996.db2.gz CMUPALNMJWUIBF-ILXRZTDVSA-N 2 0 296.459 1.548 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C[NH2+]1 ZINC000626940654 360671780 /nfs/dbraw/zinc/67/17/80/360671780.db2.gz SNNKOVARDBIYAG-RFGFWPKPSA-N 2 0 280.416 1.053 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000417024573 296026342 /nfs/dbraw/zinc/02/63/42/296026342.db2.gz XJDWGDCKYLSJRT-LPWJVIDDSA-N 2 0 270.421 1.142 10 0 CDAERP O=C(CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)NCc1ccco1 ZINC000339068866 361257958 /nfs/dbraw/zinc/25/79/58/361257958.db2.gz IFSMGCSEHRIDBF-QWHCGFSZSA-N 2 0 277.368 1.112 10 0 CDAERP CCN1CC[C@H]([NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000389191692 361266254 /nfs/dbraw/zinc/26/62/54/361266254.db2.gz VIZQEJVIDSIMRZ-VWYCJHECSA-N 2 0 266.307 1.780 10 0 CDAERP Cc1nocc1C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000339181706 361335871 /nfs/dbraw/zinc/33/58/71/361335871.db2.gz NXWUSHWAHRXQMD-UHFFFAOYSA-N 2 0 266.389 1.099 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@@H]2[NH2+]CC2(C)C)cc1 ZINC000644077144 363778667 /nfs/dbraw/zinc/77/86/67/363778667.db2.gz XQHDNRZOVSUCLX-MFKMUULPSA-N 2 0 261.369 1.321 10 0 CDAERP O[C@H](CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(F)F ZINC000639379212 361485573 /nfs/dbraw/zinc/48/55/73/361485573.db2.gz YTSGUQNLKPTUBB-CYBMUJFWSA-N 2 0 285.338 1.656 10 0 CDAERP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](C)[C@H]2CCCO2)CC1 ZINC000193007864 364117878 /nfs/dbraw/zinc/11/78/78/364117878.db2.gz UKHQEAOBVFGDTH-JKSUJKDBSA-N 2 0 283.460 1.560 10 0 CDAERP O[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C[NH+]1CCCCC1 ZINC000166281484 364338315 /nfs/dbraw/zinc/33/83/15/364338315.db2.gz IRCXMYDRRXOAKL-BZUAXINKSA-N 2 0 281.444 1.050 10 0 CDAERP C(=C\C[N@@H+]1C[C@@H]2C[C@H]1CS2)\C[NH+]1C[C@@H]2C[C@H]1CS2 ZINC000459790862 364283588 /nfs/dbraw/zinc/28/35/88/364283588.db2.gz HLUUDHRINVLMEQ-QTOXWUSHSA-N 2 0 282.478 1.922 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)CC[C@H](C)[NH3+])C1 ZINC000248860159 364303757 /nfs/dbraw/zinc/30/37/57/364303757.db2.gz LYCHMFBCTWORQA-QWHCGFSZSA-N 2 0 255.406 1.350 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCN2CCOCC2(C)C)[C@H]2CCC[C@H]21 ZINC000367598822 364529355 /nfs/dbraw/zinc/52/93/55/364529355.db2.gz GLMKLXNBTCAGML-OWCLPIDISA-N 2 0 295.471 1.560 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1C ZINC000104867143 364678318 /nfs/dbraw/zinc/67/83/18/364678318.db2.gz UYEINMRHMSTOLE-QWHCGFSZSA-N 2 0 253.390 1.071 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000455483567 252395048 /nfs/dbraw/zinc/39/50/48/252395048.db2.gz YLGOQUSKFZMFQT-FFHGMXDLSA-N 2 0 296.459 1.641 10 0 CDAERP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)[C@@H]([NH3+])CC(F)F ZINC000567736974 365269483 /nfs/dbraw/zinc/26/94/83/365269483.db2.gz GETBVQYNVYRRQB-NWDGAFQWSA-N 2 0 283.322 1.054 10 0 CDAERP CC(C)[C@H](CN[C@H](C)[C@H]1CC[NH2+]C1)[NH+]1CCCC1 ZINC000400327040 366950099 /nfs/dbraw/zinc/95/00/99/366950099.db2.gz AQNGOIVSUKUHFW-ILXRZTDVSA-N 2 0 253.434 1.694 10 0 CDAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)Cc2ccc(OC)nc2)C1 ZINC000414065138 241052191 /nfs/dbraw/zinc/05/21/91/241052191.db2.gz GOGIZYIQHDTXPE-ZFWWWQNUSA-N 2 0 277.412 1.953 10 0 CDAERP CN(C)c1ncc(C[NH2+]C2CCC(C[NH+](C)C)CC2)n1C ZINC000414363318 241170068 /nfs/dbraw/zinc/17/00/68/241170068.db2.gz VTBYEUNIGTXVIB-UHFFFAOYSA-N 2 0 293.459 1.696 10 0 CDAERP C[C@@H]1C[C@H](C[NH+]2CCN(CC(F)F)CC2)CC[NH2+]1 ZINC000414685729 241321410 /nfs/dbraw/zinc/32/14/10/241321410.db2.gz DMIYWTYXLKGTJU-VXGBXAGGSA-N 2 0 261.360 1.257 10 0 CDAERP C[C@H](CCC1CCCC1)[NH2+]CCN1CC[NH2+]CC1 ZINC000414880214 241435012 /nfs/dbraw/zinc/43/50/12/241435012.db2.gz JVDDYLBTKBIIND-CQSZACIVSA-N 2 0 253.434 1.840 10 0 CDAERP CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000414805799 241398542 /nfs/dbraw/zinc/39/85/42/241398542.db2.gz AWMKLYPDABJFIC-RYUDHWBXSA-N 2 0 284.425 1.619 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC1CC[NH+](CC)CC1 ZINC000626964320 367100320 /nfs/dbraw/zinc/10/03/20/367100320.db2.gz PDPFZJGXQQIUIG-UONOGXRCSA-N 2 0 282.432 1.158 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)NCC[N@H+](C)C2CCCC2)C[NH2+]1 ZINC000626970058 367104258 /nfs/dbraw/zinc/10/42/58/367104258.db2.gz FHASDQRGTYZUCG-OLZOCXBDSA-N 2 0 282.432 1.301 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)C[N@@H+]1C1CC1 ZINC000626997301 367217958 /nfs/dbraw/zinc/21/79/58/367217958.db2.gz QAKLXHYDFUGNCF-NDBYEHHHSA-N 2 0 280.416 1.051 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)NC2CC[NH+](C3CCC3)CC2)C[NH2+]1 ZINC000627054798 367311804 /nfs/dbraw/zinc/31/18/04/367311804.db2.gz JERHXBNURWRBBD-TZMCWYRMSA-N 2 0 294.443 1.443 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000417013235 242269351 /nfs/dbraw/zinc/26/93/51/242269351.db2.gz YLRJBWYGAWFSEM-KGLIPLIRSA-N 2 0 284.448 1.358 10 0 CDAERP C[NH2+]CCCNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000417201223 242356826 /nfs/dbraw/zinc/35/68/26/242356826.db2.gz VTBAUIIOTPJEFH-HNNXBMFYSA-N 2 0 292.427 1.068 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)[C@H](C)C1 ZINC000627200980 367694219 /nfs/dbraw/zinc/69/42/19/367694219.db2.gz DQYIULLXSKRNMA-BARDWOONSA-N 2 0 296.459 1.499 10 0 CDAERP CC(C)C[C@H]([NH3+])CNCCC[NH2+]Cc1cccnc1 ZINC000414861358 367825585 /nfs/dbraw/zinc/82/55/85/367825585.db2.gz SBCFQXKZQVUUOG-HNNXBMFYSA-N 2 0 264.417 1.524 10 0 CDAERP C[NH+](C)Cc1cccc(NC(=O)C2=CC[C@@H]([NH3+])C2)c1 ZINC000638066652 367976557 /nfs/dbraw/zinc/97/65/57/367976557.db2.gz JQTXEQJPZFSSPA-CYBMUJFWSA-N 2 0 259.353 1.734 10 0 CDAERP [NH3+]C1(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)CCCCC1 ZINC000366626209 368368804 /nfs/dbraw/zinc/36/88/04/368368804.db2.gz AYQDUXBLJDWBGE-UONOGXRCSA-N 2 0 279.428 1.639 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000418457554 243101671 /nfs/dbraw/zinc/10/16/71/243101671.db2.gz HCZQOUHHEXQLKE-NJZAAPMLSA-N 2 0 290.411 1.633 10 0 CDAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000418544688 243198482 /nfs/dbraw/zinc/19/84/82/243198482.db2.gz HMSVOYUSEVXJNQ-XGUBFFRZSA-N 2 0 294.443 1.253 10 0 CDAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000418584622 243241462 /nfs/dbraw/zinc/24/14/62/243241462.db2.gz CGUDYQBLKFJSEO-ZFWWWQNUSA-N 2 0 296.459 1.535 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000418597416 243257791 /nfs/dbraw/zinc/25/77/91/243257791.db2.gz PMTALNVMADTPCU-ZIAGYGMSSA-N 2 0 284.448 1.214 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC(C)(C)CCC[NH+](C)C ZINC000418568235 243222295 /nfs/dbraw/zinc/22/22/95/243222295.db2.gz HANBSHJNZJACOV-CHWSQXEVSA-N 2 0 284.448 1.404 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000418578668 243231294 /nfs/dbraw/zinc/23/12/94/243231294.db2.gz QFINFMFLRCBSSN-HZSPNIEDSA-N 2 0 282.432 1.110 10 0 CDAERP CCCC[NH+]1CCC(N[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000360861442 368524470 /nfs/dbraw/zinc/52/44/70/368524470.db2.gz SCXVYKQMOZLQLH-UKRRQHHQSA-N 2 0 253.434 1.791 10 0 CDAERP C[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1c[nH+]ccc1N ZINC000423079021 296123211 /nfs/dbraw/zinc/12/32/11/296123211.db2.gz XGKSIVHTZAFEOW-ZIAGYGMSSA-N 2 0 292.427 1.646 10 0 CDAERP CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000418689161 243343337 /nfs/dbraw/zinc/34/33/37/243343337.db2.gz BNZUHNXNKRATEL-ZIAGYGMSSA-N 2 0 286.464 1.732 10 0 CDAERP C[C@@H](NC(=O)N(C)CCC[N@H+](C)Cc1ccco1)[C@H](C)[NH3+] ZINC000418693600 243347201 /nfs/dbraw/zinc/34/72/01/243347201.db2.gz GZWKVUWOOXVEDW-QWHCGFSZSA-N 2 0 296.415 1.479 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000361842898 369068321 /nfs/dbraw/zinc/06/83/21/369068321.db2.gz KNDLXPSROBFCIO-WTXIUTQJSA-N 2 0 293.455 1.992 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)Cc2ccccc2)[C@H](C)C1 ZINC000287155858 369104534 /nfs/dbraw/zinc/10/45/34/369104534.db2.gz SWUMUMMQWCASAZ-HYVNUMGLSA-N 2 0 276.424 1.910 10 0 CDAERP O=C(C1CCCCC1)N1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000420299850 244047202 /nfs/dbraw/zinc/04/72/02/244047202.db2.gz JOIPXOPWGJDLQZ-OAHLLOKOSA-N 2 0 293.455 1.711 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCN2CCOCC2)[C@@H]2CCC[C@H]21 ZINC000367612095 369198300 /nfs/dbraw/zinc/19/83/00/369198300.db2.gz CSTRIKPTHCZASH-HRCADAONSA-N 2 0 281.444 1.171 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C(N)=O)c2)[C@H]2CCC[C@H]21 ZINC000367622715 369201464 /nfs/dbraw/zinc/20/14/64/369201464.db2.gz VFJQZCYHVXLILB-OWCLPIDISA-N 2 0 287.407 1.748 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)NCC[N@H+](C)C(C)C)CC1 ZINC000074053273 369226202 /nfs/dbraw/zinc/22/62/02/369226202.db2.gz MJJLPVZWJUHFAA-UHFFFAOYSA-N 2 0 298.475 1.748 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+]2CCC(C)CC2)CC[N@@H+]1C ZINC000630561744 369247224 /nfs/dbraw/zinc/24/72/24/369247224.db2.gz QUASLPXWTBETNY-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP COC(=O)COc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000414950680 370982942 /nfs/dbraw/zinc/98/29/42/370982942.db2.gz GGYFFUJHINIYEV-WFASDCNBSA-N 2 0 292.379 1.326 10 0 CDAERP c1cnn(C2CC([NH2+][C@@H]3CCN4CCCC[C@H]34)C2)c1 ZINC000638368744 369547464 /nfs/dbraw/zinc/54/74/64/369547464.db2.gz MQQOKRWVPMRIQD-NEXFUWMNSA-N 2 0 260.385 1.803 10 0 CDAERP Cc1ccncc1C[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000135455748 369692728 /nfs/dbraw/zinc/69/27/28/369692728.db2.gz IRDDHYMSRBFDSN-QGZVFWFLSA-N 2 0 290.455 1.752 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC2([NH+](C)C)CCCC2)CC[N@@H+]1C ZINC000630754234 369970772 /nfs/dbraw/zinc/97/07/72/369970772.db2.gz SRMXOKOGSUPZCS-UONOGXRCSA-N 2 0 281.444 1.707 10 0 CDAERP CO[C@H](C)[C@H](C)[NH2+]Cc1cccnc1-n1ccnc1 ZINC000370669997 370121924 /nfs/dbraw/zinc/12/19/24/370121924.db2.gz UOCKFCOYMNYENW-NWDGAFQWSA-N 2 0 260.341 1.780 10 0 CDAERP Cc1nn(C)c2ncc(C[NH2+][C@H]3CCc4nc[nH]c4C3)cc12 ZINC000370730941 370140182 /nfs/dbraw/zinc/14/01/82/370140182.db2.gz RPWXOYWJLFPSLH-LBPRGKRZSA-N 2 0 296.378 1.647 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1COc2ccccc2O1 ZINC000250521991 370191585 /nfs/dbraw/zinc/19/15/85/370191585.db2.gz CSMUCIDRVPGABI-IHRRRGAJSA-N 2 0 276.380 1.934 10 0 CDAERP [NH3+]C1CCC(NC(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000418282866 370452580 /nfs/dbraw/zinc/45/25/80/370452580.db2.gz IGNWWOVUACHGHR-UHFFFAOYSA-N 2 0 282.432 1.607 10 0 CDAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1cnccn1 ZINC000389995163 370497910 /nfs/dbraw/zinc/49/79/10/370497910.db2.gz GNFQZROWOBAMKA-KGLIPLIRSA-N 2 0 262.401 1.920 10 0 CDAERP COc1ccc(CCC[NH2+][C@@H](C)C2C[NH2+]C2)cc1OC ZINC000422723892 245180266 /nfs/dbraw/zinc/18/02/66/245180266.db2.gz SUDWFIVWMQMEGP-LBPRGKRZSA-N 2 0 278.396 1.834 10 0 CDAERP Cn1cc(CC[NH2+][C@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cn1 ZINC000375839289 370995915 /nfs/dbraw/zinc/99/59/15/370995915.db2.gz LYFLUSYOMBJRNH-ILXRZTDVSA-N 2 0 262.401 1.425 10 0 CDAERP CC[C@H](Cn1cncn1)[NH2+]CCC[NH+]1CCCCC1 ZINC000340464716 371065470 /nfs/dbraw/zinc/06/54/70/371065470.db2.gz SPFMZLFVLPMVFS-CQSZACIVSA-N 2 0 265.405 1.522 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(F)c(C)c1 ZINC000422800152 245269404 /nfs/dbraw/zinc/26/94/04/245269404.db2.gz ZGTVSTQITUHTOI-ZDUSSCGKSA-N 2 0 254.349 1.978 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCCN(c2cnn(C)c2)C1 ZINC000422776277 245242083 /nfs/dbraw/zinc/24/20/83/245242083.db2.gz CNQDORKMSKFUGH-KBPBESRZSA-N 2 0 279.432 1.496 10 0 CDAERP CCOc1ccc(C[NH2+][C@@H](CCC[NH3+])COC)cc1 ZINC000422898139 245383720 /nfs/dbraw/zinc/38/37/20/245383720.db2.gz DJELGWNWKYXFRW-AWEZNQCLSA-N 2 0 266.385 1.929 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CCC3(CCC[NH+]3C)CC2)C1 ZINC000575070847 371728786 /nfs/dbraw/zinc/72/87/86/371728786.db2.gz GVKKXXUNQFHAPD-AWEZNQCLSA-N 2 0 279.428 1.415 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NCC[NH+]2CCC[C@H](C)C2)C1 ZINC000575205216 371779557 /nfs/dbraw/zinc/77/95/57/371779557.db2.gz QJUVMIJXTGQNOE-KBPBESRZSA-N 2 0 267.417 1.176 10 0 CDAERP [NH3+][C@H]1CCCN(C(=O)C2(c3ccccc3)CC[NH2+]CC2)C1 ZINC000170786963 372118511 /nfs/dbraw/zinc/11/85/11/372118511.db2.gz OHRFPTARLJPFTC-HNNXBMFYSA-N 2 0 287.407 1.258 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[C@@H]([NH3+])C[C@H]1C ZINC000578202556 372345064 /nfs/dbraw/zinc/34/50/64/372345064.db2.gz WYNCGYGSNUYACD-IUODEOHRSA-N 2 0 285.395 1.887 10 0 CDAERP CCNC(=O)C1(C[NH2+][C@H]2CCC[NH2+]CC2)CCC1 ZINC000333346312 205238948 /nfs/dbraw/zinc/23/89/48/205238948.db2.gz ZIACKFBOJKMUAZ-LBPRGKRZSA-N 2 0 253.390 1.025 10 0 CDAERP CO[C@@H](C)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182365405 373022089 /nfs/dbraw/zinc/02/20/89/373022089.db2.gz VTUIJSDOJVYPDU-LSVZVQIISA-N 2 0 281.444 1.264 10 0 CDAERP CC[C@]1(C(=O)N2CCC[N@@H+](C3CC3)CC2)CCC[NH2+]1 ZINC000184159058 373047881 /nfs/dbraw/zinc/04/78/81/373047881.db2.gz PASVNCOPCADRNT-OAHLLOKOSA-N 2 0 265.401 1.215 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000341129165 373329202 /nfs/dbraw/zinc/32/92/02/373329202.db2.gz OSSGTMGGYOJZPN-OAHLLOKOSA-N 2 0 294.443 1.374 10 0 CDAERP CC[NH+](CC)CCCN1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000191482929 373497955 /nfs/dbraw/zinc/49/79/55/373497955.db2.gz VIXSKGJIZITVHT-HUUCEWRRSA-N 2 0 271.449 1.105 10 0 CDAERP CCNC(=O)N1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000193022013 373668408 /nfs/dbraw/zinc/66/84/08/373668408.db2.gz GJYNVBGRJVXANH-FUDCBSFHSA-N 2 0 280.416 1.005 10 0 CDAERP CC(C)[C@@H]([NH3+])CC[N@H+](C)C[C@@H]1CCc2ncnn21 ZINC000631821598 373700705 /nfs/dbraw/zinc/70/07/05/373700705.db2.gz CQRHKANKBYORDI-RYUDHWBXSA-N 2 0 251.378 1.071 10 0 CDAERP CCC1([NH+](C)C)CC[NH+](C[C@]2(O)CCCOC2)CC1 ZINC000640014974 373992840 /nfs/dbraw/zinc/99/28/40/373992840.db2.gz CDAGTKIGIRGKRI-OAHLLOKOSA-N 2 0 270.417 1.334 10 0 CDAERP C[C@H]([NH3+])c1ccc(CN2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000584645412 374326826 /nfs/dbraw/zinc/32/68/26/374326826.db2.gz UTWNYLOHHPPBCF-BBRMVZONSA-N 2 0 259.397 1.986 10 0 CDAERP CN1CC[C@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000424166025 246366003 /nfs/dbraw/zinc/36/60/03/246366003.db2.gz FTVGOJKMCLOFMF-HYNSBDGHSA-N 2 0 295.333 1.173 10 0 CDAERP COc1cncc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1C ZINC000631039762 374631083 /nfs/dbraw/zinc/63/10/83/374631083.db2.gz LSYQZYVLKBJJJY-ZDUSSCGKSA-N 2 0 275.396 1.973 10 0 CDAERP [NH3+][C@@H]1CC=C(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000638800694 374817494 /nfs/dbraw/zinc/81/74/94/374817494.db2.gz OQSNXUWJOABYCL-NVXWUHKLSA-N 2 0 299.418 1.672 10 0 CDAERP CN1CCN(C(=O)CC[N@@H+]2CCCC2(C)C)CC1 ZINC000334475446 375468069 /nfs/dbraw/zinc/46/80/69/375468069.db2.gz MHMHAOJDCSIPAM-UHFFFAOYSA-N 2 0 253.390 1.025 10 0 CDAERP c1ccc(CN2CCC[C@H](NC3=[NH+]CCCN3)C2)cc1 ZINC000306790258 375794228 /nfs/dbraw/zinc/79/42/28/375794228.db2.gz VCJBETMTZWCZER-HNNXBMFYSA-N 2 0 272.396 1.590 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)CC[C@H](C)[NH3+])CC1 ZINC000638976017 376322776 /nfs/dbraw/zinc/32/27/76/376322776.db2.gz SHMXCRIXIISJDS-LBPRGKRZSA-N 2 0 255.406 1.447 10 0 CDAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000344524938 376453608 /nfs/dbraw/zinc/45/36/08/376453608.db2.gz UDERVJPAPQQIRI-ILXRZTDVSA-N 2 0 281.444 1.850 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]CC[C@H](O)C(F)F)[C@@H](C)C1 ZINC000631698607 376473835 /nfs/dbraw/zinc/47/38/35/376473835.db2.gz WTJUQSUCSTUTEE-DCAQKATOSA-N 2 0 250.333 1.322 10 0 CDAERP CCOc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000631842886 376703905 /nfs/dbraw/zinc/70/39/05/376703905.db2.gz HCYBPTLIUVSMIP-UONOGXRCSA-N 2 0 278.396 1.991 10 0 CDAERP CCC1([NH+](C)C)CCN(Cc2nc(C(C)(C)[NH3+])no2)CC1 ZINC000631865217 376746285 /nfs/dbraw/zinc/74/62/85/376746285.db2.gz CSLLEHMGSAETHU-UHFFFAOYSA-N 2 0 295.431 1.570 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]C[C@H](CO)c2ccccc2)CC[N@@H+]1C ZINC000246966654 377025463 /nfs/dbraw/zinc/02/54/63/377025463.db2.gz IDUILYLHJRZULI-FVQBIDKESA-N 2 0 262.397 1.835 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)N2CCOCC2)[C@H](C)C1 ZINC000246856871 377003518 /nfs/dbraw/zinc/00/35/18/377003518.db2.gz CUVAUBASNDEVRI-ILXRZTDVSA-N 2 0 269.433 1.027 10 0 CDAERP C(CN1CC[N@@H+]2CCCC[C@H]2C1)[C@H]1CCC[NH2+]C1 ZINC000250797882 377110608 /nfs/dbraw/zinc/11/06/08/377110608.db2.gz AVEBJEYBPVCQML-CABCVRRESA-N 2 0 251.418 1.546 10 0 CDAERP CCCCOC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000248663361 377301560 /nfs/dbraw/zinc/30/15/60/377301560.db2.gz ZOTGJXWSHMNQMA-IRXDYDNUSA-N 2 0 298.471 1.972 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N(C)CC(C)(C)C[NH3+] ZINC000417525761 377853730 /nfs/dbraw/zinc/85/37/30/377853730.db2.gz BNWOEMDLAKDSDS-ZIAGYGMSSA-N 2 0 298.475 1.876 10 0 CDAERP Cc1ccc(O)c(C[NH2+]CC2CC[NH+](C[C@@H](C)O)CC2)n1 ZINC000069347295 378011983 /nfs/dbraw/zinc/01/19/83/378011983.db2.gz UKEFUVADNUUVCA-CYBMUJFWSA-N 2 0 293.411 1.278 10 0 CDAERP Cc1ccc(C[NH2+]CC2CC[NH+](CCO)CC2)cc1 ZINC000069368555 378062459 /nfs/dbraw/zinc/06/24/59/378062459.db2.gz CUIMIQRTQDUUBI-UHFFFAOYSA-N 2 0 262.397 1.789 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)NCCC[NH+]1CCCCCC1 ZINC000193291376 378286735 /nfs/dbraw/zinc/28/67/35/378286735.db2.gz ZZSIGSYBOYBJKF-CYBMUJFWSA-N 2 0 255.406 1.496 10 0 CDAERP CCC[NH2+]CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000417790561 378820355 /nfs/dbraw/zinc/82/03/55/378820355.db2.gz NCMDDFCOCKICNL-AGUYFDCRSA-N 2 0 282.432 1.301 10 0 CDAERP C[NH+](C)CCC[C@H]1CN(CC[C@@H]2CCC[N@@H+]2C)CCO1 ZINC000662326400 412896599 /nfs/dbraw/zinc/89/65/99/412896599.db2.gz YWMIKIKTTFLMLO-HOTGVXAUSA-N 2 0 283.460 1.513 10 0 CDAERP CO[C@H](C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2)[C@@H]1CCOC1 ZINC000660638865 412899181 /nfs/dbraw/zinc/89/91/81/412899181.db2.gz DTACTYUHPUSLIA-BZUAXINKSA-N 2 0 282.428 1.456 10 0 CDAERP CCc1ncc(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)cn1 ZINC000657573790 412906539 /nfs/dbraw/zinc/90/65/39/412906539.db2.gz UPODHMDLIVXCLI-AWEZNQCLSA-N 2 0 293.459 1.401 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CCCC[NH2+]2)CC[N@@H+]1C ZINC000634260376 379259950 /nfs/dbraw/zinc/25/99/50/379259950.db2.gz RLCWOTYMNBLASP-RDBSUJKOSA-N 2 0 282.432 1.253 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CN(C)C[C@@H]2C)C12CCC2 ZINC000344282582 379406009 /nfs/dbraw/zinc/40/60/09/379406009.db2.gz FLPNNHZCSCONCY-RFQIPJPRSA-N 2 0 252.402 1.874 10 0 CDAERP CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000334594207 379485480 /nfs/dbraw/zinc/48/54/80/379485480.db2.gz ZBFSPCDDNGZBKH-CHWSQXEVSA-N 2 0 276.384 1.504 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655912797 412915218 /nfs/dbraw/zinc/91/52/18/412915218.db2.gz PVDYDIJOBXBCOA-NXEZZACHSA-N 2 0 296.337 1.050 10 0 CDAERP C[NH+](C)CCCCNC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000041679557 184551127 /nfs/dbraw/zinc/55/11/27/184551127.db2.gz OFWTWKURLLLAIO-MELADBBJSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@H](NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@H]1CCC[NH2+]C1 ZINC000655961873 412965390 /nfs/dbraw/zinc/96/53/90/412965390.db2.gz AZHDAJIYDKZFEH-XDQVBPFNSA-N 2 0 282.432 1.014 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000418069579 532990650 /nfs/dbraw/zinc/99/06/50/532990650.db2.gz RZCRVWJACPUDQM-NEPJUHHUSA-N 2 0 270.421 1.143 10 0 CDAERP Cc1ccncc1C[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000281005174 195066113 /nfs/dbraw/zinc/06/61/13/195066113.db2.gz WHIQRFTUKPRYNZ-CQSZACIVSA-N 2 0 262.401 1.116 10 0 CDAERP CC[C@H]1CN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC[C@@H]1[NH3+] ZINC000655970548 412983303 /nfs/dbraw/zinc/98/33/03/412983303.db2.gz HWNJWVKMACYAHK-FQUUOJAGSA-N 2 0 282.432 1.095 10 0 CDAERP CC[NH+]1CCC(N[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000353448665 285192063 /nfs/dbraw/zinc/19/20/63/285192063.db2.gz OAFNJOKXQFOWCM-ARFHVFGLSA-N 2 0 265.445 1.933 10 0 CDAERP O[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000334886158 285319958 /nfs/dbraw/zinc/31/99/58/285319958.db2.gz HDMKQNRWSJMAHL-HUUCEWRRSA-N 2 0 252.402 1.896 10 0 CDAERP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21)[NH+](CC)CC ZINC000646915696 390299832 /nfs/dbraw/zinc/29/98/32/390299832.db2.gz SUEBXIQTKIJSJD-MJBXVCDLSA-N 2 0 267.417 1.269 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](CCO)C1CCCCC1 ZINC000422989647 285374035 /nfs/dbraw/zinc/37/40/35/285374035.db2.gz AZKFLVQQTXHBIR-GJZGRUSLSA-N 2 0 272.433 1.661 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)CO1 ZINC000647187496 390836070 /nfs/dbraw/zinc/83/60/70/390836070.db2.gz OYJAFJCWJQSPRO-JKSUJKDBSA-N 2 0 295.471 1.704 10 0 CDAERP C[C@H](NC(=O)[C@H]1CCC[C@@H]([NH3+])C1)C(C)(C)C[NH+](C)C ZINC000237522163 390848288 /nfs/dbraw/zinc/84/82/88/390848288.db2.gz ADNBLWXWFPYVBY-RWMBFGLXSA-N 2 0 269.433 1.596 10 0 CDAERP C[C@H](CCn1cccn1)[NH2+]CCCC[NH+]1CCOCC1 ZINC000158650555 390934821 /nfs/dbraw/zinc/93/48/21/390934821.db2.gz ORPYFBWPAXFKPW-OAHLLOKOSA-N 2 0 280.416 1.364 10 0 CDAERP C[C@H]([NH2+]CCCc1ncn(C)n1)C1CC[NH+](C)CC1 ZINC000647325965 390939319 /nfs/dbraw/zinc/93/93/19/390939319.db2.gz USIMNSAPAALFPJ-LBPRGKRZSA-N 2 0 265.405 1.068 10 0 CDAERP C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)[C@H]1CC[NH2+]C1 ZINC000415099722 391012408 /nfs/dbraw/zinc/01/24/08/391012408.db2.gz HHAIACKQCQWCDQ-QSLWVIQJSA-N 2 0 250.386 1.532 10 0 CDAERP C[C@]1(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)CC[NH2+]C1 ZINC000647479945 390966786 /nfs/dbraw/zinc/96/67/86/390966786.db2.gz YPIVJFASYJTWRR-ILXRZTDVSA-N 2 0 251.418 1.450 10 0 CDAERP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2ccc(N)nc2)cc1 ZINC000647546548 390990334 /nfs/dbraw/zinc/99/03/34/390990334.db2.gz OWNSBBQMEAEDQR-LLVKDONJSA-N 2 0 256.353 1.804 10 0 CDAERP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C2CCC2)C1 ZINC000647553168 390998961 /nfs/dbraw/zinc/99/89/61/390998961.db2.gz FSJBEWWZKOSKEZ-HOCLYGCPSA-N 2 0 293.455 1.838 10 0 CDAERP Cc1cccc2nc(CC[NH2+]C[C@]3(C)CC[NH2+]C3)cn21 ZINC000647553993 391000443 /nfs/dbraw/zinc/00/04/43/391000443.db2.gz OPLVETAROFKKHS-INIZCTEOSA-N 2 0 272.396 1.774 10 0 CDAERP CC(C)[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000367925707 391008385 /nfs/dbraw/zinc/00/83/85/391008385.db2.gz MQDPTICXBWMXFF-CWRNSKLLSA-N 2 0 266.429 1.952 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC[N@@H+]1C ZINC000417755745 391035585 /nfs/dbraw/zinc/03/55/85/391035585.db2.gz RGODBTCJCXTOEA-RQJABVFESA-N 2 0 280.416 1.005 10 0 CDAERP Cc1nc2ccc(C[NH+]3CCC(O)(C[NH3+])CC3)cc2s1 ZINC000415141958 391048351 /nfs/dbraw/zinc/04/83/51/391048351.db2.gz OVCWNILZAHPADV-UHFFFAOYSA-N 2 0 291.420 1.890 10 0 CDAERP C[C@@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1)N1CC[NH+](C)CC1 ZINC000527654574 391087047 /nfs/dbraw/zinc/08/70/47/391087047.db2.gz RZQBYSIRUUTASW-SDADXPQNSA-N 2 0 265.445 1.647 10 0 CDAERP C[NH+]1CCC2(CC1)C[N@H+](C[C@@H]1CCSC1)CCO2 ZINC000648072095 391089373 /nfs/dbraw/zinc/08/93/73/391089373.db2.gz KXPXYZVDTZMQTO-ZDUSSCGKSA-N 2 0 270.442 1.536 10 0 CDAERP C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]C[C@@H]2CC[NH2+]C2)C1 ZINC000647892240 391169898 /nfs/dbraw/zinc/16/98/98/391169898.db2.gz GQZKCFDJBRZTTG-UMVBOHGHSA-N 2 0 254.418 1.763 10 0 CDAERP C[N@@H+]1CCC[C@@H](CCNC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)C1 ZINC000418300304 391289243 /nfs/dbraw/zinc/28/92/43/391289243.db2.gz XOVBEUFMULUPES-DZGCQCFKSA-N 2 0 294.443 1.254 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000525928085 391429742 /nfs/dbraw/zinc/42/97/42/391429742.db2.gz VLGQYJYCNFLDCY-CABCVRRESA-N 2 0 298.475 1.746 10 0 CDAERP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000335405129 391434322 /nfs/dbraw/zinc/43/43/22/391434322.db2.gz AQOABLJRSQMJTE-TZMCWYRMSA-N 2 0 265.401 1.249 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000417812791 391481110 /nfs/dbraw/zinc/48/11/10/391481110.db2.gz LTGZPVOXGDKIFJ-AWEZNQCLSA-N 2 0 297.443 1.121 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000417444808 391536456 /nfs/dbraw/zinc/53/64/56/391536456.db2.gz DVGQGFCYURYIQJ-AVGNSLFASA-N 2 0 270.421 1.014 10 0 CDAERP C[C@@H]1C[N@H+](C)C[C@@H]1NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000358306320 391548013 /nfs/dbraw/zinc/54/80/13/391548013.db2.gz UPXVDWDPSWPPJG-IWCQGFGOSA-N 2 0 295.471 1.294 10 0 CDAERP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CC[C@H]1CCCOC1 ZINC000527924762 391549249 /nfs/dbraw/zinc/54/92/49/391549249.db2.gz HNZHNGGJRMVLBY-NFAWXSAZSA-N 2 0 252.402 1.875 10 0 CDAERP OC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccsc1 ZINC000647795675 391643087 /nfs/dbraw/zinc/64/30/87/391643087.db2.gz SWTHRSZPNKBAOE-ZRJCITRHSA-N 2 0 266.410 1.759 10 0 CDAERP c1ccc(CCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)nc1 ZINC000647793144 391630635 /nfs/dbraw/zinc/63/06/35/391630635.db2.gz MFYRYIVZRRYMOR-IIAWOOMASA-N 2 0 259.397 1.992 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000417538974 391646705 /nfs/dbraw/zinc/64/67/05/391646705.db2.gz VBNPDKCNHWPNKY-NDBYEHHHSA-N 2 0 270.421 1.284 10 0 CDAERP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000417559309 391657485 /nfs/dbraw/zinc/65/74/85/391657485.db2.gz XINCQNZMLBPTFS-ZNMIVQPWSA-N 2 0 296.459 1.772 10 0 CDAERP c1ccc([C@H]([NH2+]C[C@@H]2CC[NH2+]C2)[C@H]2CCOC2)cc1 ZINC000647992205 391701257 /nfs/dbraw/zinc/70/12/57/391701257.db2.gz RGNUGAIATJULFO-KBMXLJTQSA-N 2 0 260.381 1.963 10 0 CDAERP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000515730972 391788872 /nfs/dbraw/zinc/78/88/72/391788872.db2.gz RWPPFRAINITYLD-GXTWGEPZSA-N 2 0 281.444 1.706 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000649299070 391934076 /nfs/dbraw/zinc/93/40/76/391934076.db2.gz XLUAWSMVUJFHOJ-OLZOCXBDSA-N 2 0 255.406 1.160 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000334590277 391903635 /nfs/dbraw/zinc/90/36/35/391903635.db2.gz CCOLDFUXMFXONS-GXTWGEPZSA-N 2 0 267.417 1.221 10 0 CDAERP CC(C)NC(=O)CC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000341194278 391955219 /nfs/dbraw/zinc/95/52/19/391955219.db2.gz SYMDDBQFTHUWMX-UHFFFAOYSA-N 2 0 255.406 1.175 10 0 CDAERP CCn1nccc1CC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646105715 392013216 /nfs/dbraw/zinc/01/32/16/392013216.db2.gz DUZJKAPQFIITOW-UHFFFAOYSA-N 2 0 292.427 1.242 10 0 CDAERP CCOC(=O)[C@]1(COC)CCC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261778776 392023331 /nfs/dbraw/zinc/02/33/31/392023331.db2.gz NRFNXPBUDGOESG-JKSUJKDBSA-N 2 0 298.427 1.278 10 0 CDAERP CC[NH+]1CCN(CC(C)(C)[NH2+]CCC[C@H]2CCOC2)CC1 ZINC000645926032 392059641 /nfs/dbraw/zinc/05/96/41/392059641.db2.gz DUJDKRFAVWIVLB-INIZCTEOSA-N 2 0 297.487 1.809 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000649373245 392125001 /nfs/dbraw/zinc/12/50/01/392125001.db2.gz VJCYMPBJLPIELF-LBPRGKRZSA-N 2 0 253.390 1.119 10 0 CDAERP CC1=CCN(CC[NH2+][C@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000423038852 392292713 /nfs/dbraw/zinc/29/27/13/392292713.db2.gz PLDQIBPMLSFGOI-CABCVRRESA-N 2 0 251.418 1.616 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1N(C)CCCC1(C)C ZINC000423090900 392334582 /nfs/dbraw/zinc/33/45/82/392334582.db2.gz YUAVWHAHOIHXHX-KGLIPLIRSA-N 2 0 271.449 1.450 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000423098337 392342645 /nfs/dbraw/zinc/34/26/45/392342645.db2.gz KKXCCIOJKKCSCB-BZPMIXESSA-N 2 0 258.406 1.534 10 0 CDAERP C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2ccccc2CC[NH3+])C1 ZINC000568149585 392373467 /nfs/dbraw/zinc/37/34/67/392373467.db2.gz SMJFLHCXOCJESL-JSGCOSHPSA-N 2 0 275.396 1.387 10 0 CDAERP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)[C@@H](C)OC)CC[NH2+]CC1 ZINC000423143279 392381207 /nfs/dbraw/zinc/38/12/07/392381207.db2.gz WVCNROWXHRMPTN-JHJVBQTASA-N 2 0 286.416 1.321 10 0 CDAERP CC[C@H]([NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1)C(=O)NC ZINC000423160107 392398218 /nfs/dbraw/zinc/39/82/18/392398218.db2.gz GWONJVVKJFNHDC-XQQFMLRXSA-N 2 0 255.406 1.411 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)CCCC[NH3+] ZINC000574154557 392521093 /nfs/dbraw/zinc/52/10/93/392521093.db2.gz JFMMLFBDQBJDDX-CHWSQXEVSA-N 2 0 255.406 1.495 10 0 CDAERP CC[NH+](CC)CCNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000573939905 392473152 /nfs/dbraw/zinc/47/31/52/392473152.db2.gz BWTSMKOXQQBEAJ-OAHLLOKOSA-N 2 0 282.432 1.113 10 0 CDAERP CCC[C@@H](C(=O)N(C)C[C@@H]1CCC[N@@H+]1CC)[NH+](C)C ZINC000127229595 392608271 /nfs/dbraw/zinc/60/82/71/392608271.db2.gz MTFFXPGUDFFVQC-KBPBESRZSA-N 2 0 269.433 1.659 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)C[C@H]2CC[NH2+]C2)cc1 ZINC000646805877 392836364 /nfs/dbraw/zinc/83/63/64/392836364.db2.gz IOTJLUMVABRMQO-WCQYABFASA-N 2 0 261.369 1.322 10 0 CDAERP CNC(=O)[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC000459451743 393170597 /nfs/dbraw/zinc/17/05/97/393170597.db2.gz QTRFQAVKRHDNBE-HNNXBMFYSA-N 2 0 290.411 1.411 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000646873361 393202560 /nfs/dbraw/zinc/20/25/60/393202560.db2.gz VMSDCGZKTDAFRE-YJBUHQLJSA-N 2 0 265.401 1.116 10 0 CDAERP C[C@@H]1[C@H](C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)CC[N@@H+]1C ZINC000648775548 393325315 /nfs/dbraw/zinc/32/53/15/393325315.db2.gz OHHSSCLYMGRLHV-KBUPBQIOSA-N 2 0 281.444 1.706 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)CC1([NH3+])CCC1 ZINC000645951201 393426716 /nfs/dbraw/zinc/42/67/16/393426716.db2.gz JTKPYEQNOMCXHP-CHWSQXEVSA-N 2 0 267.417 1.637 10 0 CDAERP Cc1cccc(OC[C@@H](O)C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000656152619 413060518 /nfs/dbraw/zinc/06/05/18/413060518.db2.gz ATXJLPFTDKHSFW-XHSDSOJGSA-N 2 0 292.423 1.665 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)C[C@H]2CC[NH2+]C2)CC1 ZINC000089745782 139677185 /nfs/dbraw/zinc/67/71/85/139677185.db2.gz YPYRMTQZTHEYRY-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@H](O)CC1CCCC1 ZINC000191016118 140132998 /nfs/dbraw/zinc/13/29/98/140132998.db2.gz SKUJDQKPCJGRSO-QGZVFWFLSA-N 2 0 297.487 1.497 10 0 CDAERP CN(CC(=O)NC1CCCCC1)[C@H]1CCC[NH2+]CC1 ZINC000231669826 140217888 /nfs/dbraw/zinc/21/78/88/140217888.db2.gz CXCKFSMHDOELOP-AWEZNQCLSA-N 2 0 267.417 1.509 10 0 CDAERP C[N@H+](C[C@H](O)CC1CCCC1)C[C@@H]1CC[NH+](C)C1 ZINC000232144588 140220594 /nfs/dbraw/zinc/22/05/94/140220594.db2.gz LTQOBVYYFOMLAA-HUUCEWRRSA-N 2 0 254.418 1.811 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000234704160 140230953 /nfs/dbraw/zinc/23/09/53/140230953.db2.gz GNAIZHBBEXHVGQ-IRXDYDNUSA-N 2 0 291.439 1.604 10 0 CDAERP CC(C)(C)CC[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000236607075 140240952 /nfs/dbraw/zinc/24/09/52/140240952.db2.gz OXYHQGIPFIBNOU-ZIAGYGMSSA-N 2 0 281.444 1.694 10 0 CDAERP C[C@@]1(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC[NH2+]C1 ZINC000237570834 140255352 /nfs/dbraw/zinc/25/53/52/140255352.db2.gz PEXSEIRNBBBDTD-QGZVFWFLSA-N 2 0 293.455 1.899 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[C@H]1[NH3+])c1cccs1 ZINC000250348384 140302845 /nfs/dbraw/zinc/30/28/45/140302845.db2.gz RSBUCUGOFPAARW-QJPTWQEYSA-N 2 0 281.425 1.594 10 0 CDAERP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000261612846 140363375 /nfs/dbraw/zinc/36/33/75/140363375.db2.gz FGTNTOOJNDXHKC-GDBMZVCRSA-N 2 0 293.455 1.981 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000261642483 140367355 /nfs/dbraw/zinc/36/73/55/140367355.db2.gz LKWQXYDQUIXCGA-KFWWJZLASA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000334935650 140593136 /nfs/dbraw/zinc/59/31/36/140593136.db2.gz NXBFWKLYQYNMKJ-UONOGXRCSA-N 2 0 296.459 1.807 10 0 CDAERP CCC[C@@]1([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)CCOC1 ZINC000394100441 397801585 /nfs/dbraw/zinc/80/15/85/397801585.db2.gz TUQOEOWTZVNQQD-ZIAGYGMSSA-N 2 0 258.406 1.236 10 0 CDAERP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)o1 ZINC000647001067 397804820 /nfs/dbraw/zinc/80/48/20/397804820.db2.gz BXDBUMOOSYLTAI-TZMCWYRMSA-N 2 0 293.411 1.849 10 0 CDAERP COc1ncncc1C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000647195818 398037359 /nfs/dbraw/zinc/03/73/59/398037359.db2.gz FGEHEWGXFLXFKE-UHFFFAOYSA-N 2 0 278.400 1.695 10 0 CDAERP CCCc1nsc(NCCN(C)CCC[NH+](C)C)n1 ZINC000664244453 413181453 /nfs/dbraw/zinc/18/14/53/413181453.db2.gz IYOWNKYZVCSAHW-UHFFFAOYSA-N 2 0 285.461 1.786 10 0 CDAERP COC[C@H](CC[NH2+][C@@H](C)C1CC[NH+](C)CC1)OC ZINC000658083731 413183591 /nfs/dbraw/zinc/18/35/91/413183591.db2.gz BABIEMIDJRKLTL-JSGCOSHPSA-N 2 0 258.406 1.358 10 0 CDAERP Cc1ncncc1[C@@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000658105713 413204262 /nfs/dbraw/zinc/20/42/62/413204262.db2.gz CUEUJSNYHBBVII-DZGCQCFKSA-N 2 0 293.459 1.708 10 0 CDAERP CCC[NH+]1CCC(C[NH2+]Cc2cncn2C)CC1 ZINC000105445943 147221598 /nfs/dbraw/zinc/22/15/98/147221598.db2.gz SXXVJTVJPBRSSH-UHFFFAOYSA-N 2 0 250.390 1.632 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1C[C@@H](C)[C@@H]1C ZINC000658106254 413206808 /nfs/dbraw/zinc/20/68/08/413206808.db2.gz HCAQPTIZFVKSAV-QPSCCSFWSA-N 2 0 255.450 1.893 10 0 CDAERP COc1c(CN2CC[C@@H](C[NH+](C)C)C2)c(C)nn1C ZINC000179635449 148125770 /nfs/dbraw/zinc/12/57/70/148125770.db2.gz NYVWQBCXHMOJAR-LBPRGKRZSA-N 2 0 266.389 1.121 10 0 CDAERP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)C1 ZINC000262024935 149004223 /nfs/dbraw/zinc/00/42/23/149004223.db2.gz ZDENUTMIOMUBON-RZLSGREXSA-N 2 0 279.428 1.352 10 0 CDAERP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)C1 ZINC000262024926 149004678 /nfs/dbraw/zinc/00/46/78/149004678.db2.gz ZDENUTMIOMUBON-KNCOVGOOSA-N 2 0 279.428 1.352 10 0 CDAERP CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000262066278 149007775 /nfs/dbraw/zinc/00/77/75/149007775.db2.gz SBGDDLSGMCSWQT-GJZGRUSLSA-N 2 0 297.443 1.121 10 0 CDAERP COCC(C)(C)C[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000336790922 292197933 /nfs/dbraw/zinc/19/79/33/292197933.db2.gz MJZSBGDBDSVFAG-ZDUSSCGKSA-N 2 0 258.406 1.095 10 0 CDAERP CCC[C@](C)([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000262655705 149090366 /nfs/dbraw/zinc/09/03/66/149090366.db2.gz CRSXUDFJRPTCQK-DYEKYZERSA-N 2 0 255.406 1.445 10 0 CDAERP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000334321119 149473882 /nfs/dbraw/zinc/47/38/82/149473882.db2.gz WNSQTFDLPVMFHV-GJZGRUSLSA-N 2 0 293.455 1.886 10 0 CDAERP [NH3+]C[C@H](C(=O)N1CC[NH+]2CCC1CC2)c1ccc(F)cc1 ZINC000335037843 150214617 /nfs/dbraw/zinc/21/46/17/150214617.db2.gz NCZGXBAQQYARPN-HNNXBMFYSA-N 2 0 291.370 1.175 10 0 CDAERP CN(CC[NH2+]Cc1ccsc1)C(=O)C12CC[NH+](CC1)C2 ZINC001664314304 1172839080 /nfs/dbraw/zinc/83/90/80/1172839080.db2.gz YULMVZBVGCFXHS-UHFFFAOYSA-N 2 0 293.436 1.392 10 0 CDAERP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NCC1([NH3+])CCC1 ZINC000335120510 150308679 /nfs/dbraw/zinc/30/86/79/150308679.db2.gz IPELKAHTBMKMMW-VXGBXAGGSA-N 2 0 253.390 1.282 10 0 CDAERP O=C(CCC1CC[NH2+]CC1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000336038975 151217904 /nfs/dbraw/zinc/21/79/04/151217904.db2.gz OYMJTJQMDLQIJK-GASCZTMLSA-N 2 0 279.428 1.224 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000343827009 152317472 /nfs/dbraw/zinc/31/74/72/152317472.db2.gz CMIGDZTZHVIQBL-KGLIPLIRSA-N 2 0 267.417 1.413 10 0 CDAERP CC[NH+]1CCC(NC(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000662665766 413274295 /nfs/dbraw/zinc/27/42/95/413274295.db2.gz ODUMVMKZOHLTIM-UHFFFAOYSA-N 2 0 265.401 1.262 10 0 CDAERP C[C@@H](CC[NH+](C)C)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000349589719 154149230 /nfs/dbraw/zinc/14/92/30/154149230.db2.gz OYOZUOWQNCEIAW-JSGCOSHPSA-N 2 0 282.432 1.205 10 0 CDAERP C[NH+](C)CCOc1ccc(CNC(=O)CC2([NH3+])CC2)cc1 ZINC000662674630 413293866 /nfs/dbraw/zinc/29/38/66/413293866.db2.gz DMRWTHZEVDBQJG-UHFFFAOYSA-N 2 0 291.395 1.125 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](O)C23CCC3)[C@@H](C)C1 ZINC000658249787 413313242 /nfs/dbraw/zinc/31/32/42/413313242.db2.gz BZGYDAULDQJLQK-IGQOVBAYSA-N 2 0 252.402 1.610 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cncc(C)n2)[C@H](C)C1 ZINC000658260803 413324224 /nfs/dbraw/zinc/32/42/24/413324224.db2.gz FLLAIURAEMJCQI-IUODEOHRSA-N 2 0 262.401 1.647 10 0 CDAERP CCC[NH+](CCC)CCCC(=O)NCC12CC(C1)C[NH2+]2 ZINC000662720155 413377485 /nfs/dbraw/zinc/37/74/85/413377485.db2.gz UISCENPLDIEOSW-UHFFFAOYSA-N 2 0 281.444 1.757 10 0 CDAERP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CC2([NH3+])CC2)C1 ZINC000662728774 413391958 /nfs/dbraw/zinc/39/19/58/413391958.db2.gz CBWCMROXFXROQC-ZDUSSCGKSA-N 2 0 281.444 1.885 10 0 CDAERP CC[C@@H](C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1)[NH+](CC)CC ZINC000261953120 286734104 /nfs/dbraw/zinc/73/41/04/286734104.db2.gz KFIWWNQCBCMGBP-QWHCGFSZSA-N 2 0 269.433 1.693 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000662730591 413395679 /nfs/dbraw/zinc/39/56/79/413395679.db2.gz KNRCPEYKSMCXEJ-OUCADQQQSA-N 2 0 255.406 1.384 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)CC1CC[NH+](C)CC1 ZINC000362723431 159222805 /nfs/dbraw/zinc/22/28/05/159222805.db2.gz NDYGFJLEFOPIHE-UHFFFAOYSA-N 2 0 283.460 1.765 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000662730310 413397547 /nfs/dbraw/zinc/39/75/47/413397547.db2.gz BXBIJBSTHIWSHR-ZIAGYGMSSA-N 2 0 263.385 1.219 10 0 CDAERP CC[C@](C)(O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000364006380 159363641 /nfs/dbraw/zinc/36/36/41/159363641.db2.gz WPDJEVROVVQSPG-INIZCTEOSA-N 2 0 284.444 1.582 10 0 CDAERP CC(C)[C@@H](O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000373000896 160164643 /nfs/dbraw/zinc/16/46/43/160164643.db2.gz ODGKRKNSATWBCG-HNNXBMFYSA-N 2 0 270.417 1.048 10 0 CDAERP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662754441 413438505 /nfs/dbraw/zinc/43/85/05/413438505.db2.gz NPWYMBSODKGMHW-SMDDNHRTSA-N 2 0 277.412 1.260 10 0 CDAERP O=C(N1CCC[C@H]([C@H]2CCC[NH2+]2)C1)C1([NH2+]C2CC2)CCC1 ZINC000662759244 413445149 /nfs/dbraw/zinc/44/51/49/413445149.db2.gz BPCBGJKOPIGXJR-DZGCQCFKSA-N 2 0 291.439 1.652 10 0 CDAERP CCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C[NH+](C)C)CC1 ZINC001665410064 1172992621 /nfs/dbraw/zinc/99/26/21/1172992621.db2.gz PDGXCMKIAUDFRA-GJZGRUSLSA-N 2 0 293.455 1.804 10 0 CDAERP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)[C@H]1C[C@H]1C ZINC000423502596 287011967 /nfs/dbraw/zinc/01/19/67/287011967.db2.gz CZGMOHDRSGFUJT-KBJXHQRYSA-N 2 0 265.445 1.837 10 0 CDAERP COCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001665642359 1173029590 /nfs/dbraw/zinc/02/95/90/1173029590.db2.gz RPSOHBCYXWGDMV-GJZGRUSLSA-N 2 0 299.459 1.142 10 0 CDAERP CCOCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001665677880 1173036308 /nfs/dbraw/zinc/03/63/08/1173036308.db2.gz ZVVAQEARCORYRC-CABCVRRESA-N 2 0 299.459 1.286 10 0 CDAERP C[C@@H]1CC(C)(C)C[N@@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000334856413 287217494 /nfs/dbraw/zinc/21/74/94/287217494.db2.gz WVXJABAYXPJDKF-CHWSQXEVSA-N 2 0 267.417 1.304 10 0 CDAERP CN([C@H](C[NH3+])c1ccc(F)cc1F)C1CC[NH+](C)CC1 ZINC000022163137 171364468 /nfs/dbraw/zinc/36/44/68/171364468.db2.gz PKNRJAXZNUPNSN-OAHLLOKOSA-N 2 0 283.366 1.991 10 0 CDAERP [NH3+]CC1(CCNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000653215880 412142047 /nfs/dbraw/zinc/14/20/47/412142047.db2.gz GUWASWPGVUWBCK-YHWZYXNKSA-N 2 0 265.401 1.152 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000655408074 412184505 /nfs/dbraw/zinc/18/45/05/412184505.db2.gz NVXUQKJJJVHPBJ-KFWWJZLASA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)([NH3+])c1cc(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)on1 ZINC000662778527 413480610 /nfs/dbraw/zinc/48/06/10/413480610.db2.gz FHLZHTDSFFSWPA-XYPYZODXSA-N 2 0 294.399 1.363 10 0 CDAERP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CC1([NH3+])CC1 ZINC000662789553 413505334 /nfs/dbraw/zinc/50/53/34/413505334.db2.gz ZRHCMADIFIZOQY-UHFFFAOYSA-N 2 0 289.423 1.978 10 0 CDAERP [NH3+][C@H]1C[C@H](C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)C1 ZINC000662815202 413536615 /nfs/dbraw/zinc/53/66/15/413536615.db2.gz OIHMMHXYWQCPMS-MGCOHNPYSA-N 2 0 280.397 1.286 10 0 CDAERP C[C@@H]1C[C@H](C)N(C(=O)c2cc(C(C)(C)[NH3+])no2)C[C@@H]1C[NH3+] ZINC000662817545 413539715 /nfs/dbraw/zinc/53/97/15/413539715.db2.gz IZLWDQAZOQIGDI-VWYCJHECSA-N 2 0 294.399 1.314 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC000660838116 413545841 /nfs/dbraw/zinc/54/58/41/413545841.db2.gz RMERUIZVWNISIO-QWHCGFSZSA-N 2 0 282.432 1.253 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662827667 413557424 /nfs/dbraw/zinc/55/74/24/413557424.db2.gz AOJVNBBWWZBCIQ-AWEZNQCLSA-N 2 0 275.396 1.410 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000656696859 413575183 /nfs/dbraw/zinc/57/51/83/413575183.db2.gz CZZHTZHNUIBAGM-XHSDSOJGSA-N 2 0 284.444 1.436 10 0 CDAERP [NH3+]C1(CC(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000662876992 413643125 /nfs/dbraw/zinc/64/31/25/413643125.db2.gz FBWUUIRBVOYKJI-LBPRGKRZSA-N 2 0 265.401 1.391 10 0 CDAERP C[NH+](C)CCN1CCN(CCCC2CCC2)CC1=O ZINC000660912960 413646119 /nfs/dbraw/zinc/64/61/19/413646119.db2.gz PUEFWSVBXATGNY-UHFFFAOYSA-N 2 0 267.417 1.273 10 0 CDAERP CCN(C(=O)N[C@@H](C)C[NH+](C)C(C)C)[C@@H]1CC[N@H+](C)C1 ZINC000664919034 413731308 /nfs/dbraw/zinc/73/13/08/413731308.db2.gz DMWQYLXITQMKKK-UONOGXRCSA-N 2 0 284.448 1.451 10 0 CDAERP CCN(C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2C)[C@H]1CC[N@H+](C)C1 ZINC000665045102 413807956 /nfs/dbraw/zinc/80/79/56/413807956.db2.gz UIWYWDRASXGYJJ-DKUMPPAJSA-N 2 0 294.443 1.347 10 0 CDAERP CC(C)(C[NH3+])C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659367784 413752152 /nfs/dbraw/zinc/75/21/52/413752152.db2.gz NXRCOKQTFYDTMJ-CYBMUJFWSA-N 2 0 277.368 1.271 10 0 CDAERP O=C(C[NH2+]C1CC1)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659367772 413752489 /nfs/dbraw/zinc/75/24/89/413752489.db2.gz NQGCJHZWPLSIDP-CQSZACIVSA-N 2 0 275.352 1.038 10 0 CDAERP CC[NH+]1CCC(CNC(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000659448782 413832438 /nfs/dbraw/zinc/83/24/38/413832438.db2.gz VJKZMINKGFLHBX-CQSZACIVSA-N 2 0 284.448 1.391 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N[C@H](C)C[NH2+]C)CC1 ZINC000659447820 413834143 /nfs/dbraw/zinc/83/41/43/413834143.db2.gz XECBKDJNFVCVKP-GFCCVEGCSA-N 2 0 270.421 1.016 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCC1([NH3+])CCCC1 ZINC000659451496 413835095 /nfs/dbraw/zinc/83/50/95/413835095.db2.gz FKDBFKALJNZNNC-ZIAGYGMSSA-N 2 0 296.459 1.820 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000659467823 413856704 /nfs/dbraw/zinc/85/67/04/413856704.db2.gz PEOWXUILZDJJTB-YRGRVCCFSA-N 2 0 282.432 1.284 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000659511070 413909036 /nfs/dbraw/zinc/90/90/36/413909036.db2.gz NZLQORUVJUHKRB-FRRDWIJNSA-N 2 0 270.421 1.047 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC000665274171 414011844 /nfs/dbraw/zinc/01/18/44/414011844.db2.gz LHIJTYZHNYYBMA-VHSXEESVSA-N 2 0 250.333 1.621 10 0 CDAERP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)[C@H]1CCOC1 ZINC000665234621 413957949 /nfs/dbraw/zinc/95/79/49/413957949.db2.gz HFKZQCNUKVETIQ-ZVDSWSACSA-N 2 0 282.428 1.548 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000659562102 413976010 /nfs/dbraw/zinc/97/60/10/413976010.db2.gz YHFOGFZSEXPXPL-QLFBSQMISA-N 2 0 296.459 1.676 10 0 CDAERP COC[C@H](CCC[NH3+])N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665252449 413980913 /nfs/dbraw/zinc/98/09/13/413980913.db2.gz PUIVTGJQALNIAZ-GVDBMIGSSA-N 2 0 291.439 1.476 10 0 CDAERP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)C(C)(C)n1cncn1 ZINC000665282350 414020898 /nfs/dbraw/zinc/02/08/98/414020898.db2.gz WFDUOVBYABWYPF-VXGBXAGGSA-N 2 0 253.394 1.365 10 0 CDAERP COCCOCCC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C)C1 ZINC000037221547 173040412 /nfs/dbraw/zinc/04/04/12/173040412.db2.gz IUTLGPNGBPANDU-KBPBESRZSA-N 2 0 258.406 1.359 10 0 CDAERP CC(C)n1cncc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655823894 414228273 /nfs/dbraw/zinc/22/82/73/414228273.db2.gz BMHAHBBZHIFIIV-BETUJISGSA-N 2 0 250.390 1.894 10 0 CDAERP NC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657370587 414249086 /nfs/dbraw/zinc/24/90/86/414249086.db2.gz JDLPHYDNUGUKMQ-OLZOCXBDSA-N 2 0 299.378 1.401 10 0 CDAERP CC[C@H](CCO)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657372490 414250990 /nfs/dbraw/zinc/25/09/90/414250990.db2.gz GDWVROYTJHWPKY-GFCCVEGCSA-N 2 0 260.341 1.518 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CN1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000659910179 414256150 /nfs/dbraw/zinc/25/61/50/414256150.db2.gz NOCQPEYUKUSIRF-GVDBMIGSSA-N 2 0 295.471 1.392 10 0 CDAERP CC[C@H]1C[C@H]([NH2+]CC2(O)CC[NH+](C(C)C)CC2)CO1 ZINC000657396739 414280745 /nfs/dbraw/zinc/28/07/45/414280745.db2.gz ACXVKJCNOGLDOM-KBPBESRZSA-N 2 0 270.417 1.379 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CCOc3ccc(O)cc3C2)CC[NH2+]1 ZINC000663501785 414300947 /nfs/dbraw/zinc/30/09/47/414300947.db2.gz AUTGIQORSLOPGD-CHWSQXEVSA-N 2 0 276.380 1.975 10 0 CDAERP C[C@H]1C[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCO1 ZINC000657423630 414312536 /nfs/dbraw/zinc/31/25/36/414312536.db2.gz JODXUQFRMRYIPQ-QWHCGFSZSA-N 2 0 272.352 1.924 10 0 CDAERP CCN(C(=O)NCC[NH+]1CCC[C@H](C)C1)[C@H]1CC[N@H+](C)C1 ZINC000663628691 414379956 /nfs/dbraw/zinc/37/99/56/414379956.db2.gz HSAZCDGKPCPMKD-GJZGRUSLSA-N 2 0 296.459 1.454 10 0 CDAERP CC[C@@H]1C[C@@H]([NH2+]CCOCC[NH+](CC)CC)CO1 ZINC000657432523 414322097 /nfs/dbraw/zinc/32/20/97/414322097.db2.gz GNSBEGCVPBNIAW-ZIAGYGMSSA-N 2 0 258.406 1.502 10 0 CDAERP C[N@H+](CCOc1ccccc1F)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249727 414585963 /nfs/dbraw/zinc/58/59/63/414585963.db2.gz YTWBZJNWMJEULC-ZDUSSCGKSA-N 2 0 294.370 1.657 10 0 CDAERP CCc1ccc([C@@H]2C[NH2+]CCN2C[C@@H]2C[NH2+]CCO2)cc1 ZINC000662271460 414605688 /nfs/dbraw/zinc/60/56/88/414605688.db2.gz HHZOPQUCMPBHRC-IRXDYDNUSA-N 2 0 289.423 1.184 10 0 CDAERP CO[C@@H](C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)C1CCC1 ZINC000662275829 414606489 /nfs/dbraw/zinc/60/64/89/414606489.db2.gz FBEGAABRJHLTDS-LSDHHAIUSA-N 2 0 252.402 1.877 10 0 CDAERP CC[C@@H]([NH2+]C[C@H]1CCC2(C[NH2+]C2)O1)c1c(C)noc1C ZINC000662280501 414611807 /nfs/dbraw/zinc/61/18/07/414611807.db2.gz FMUKDGWPQVPAAS-CHWSQXEVSA-N 2 0 279.384 1.853 10 0 CDAERP C(C[N@@H+]1CC[C@@]2(C1)CCCOC2)[C@H]1CCC[NH2+]C1 ZINC000662314266 414634179 /nfs/dbraw/zinc/63/41/79/414634179.db2.gz COKJRSLWNQMIMF-HUUCEWRRSA-N 2 0 252.402 1.879 10 0 CDAERP CO[C@H]1C[NH2+][C@H](CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000040637326 174361847 /nfs/dbraw/zinc/36/18/47/174361847.db2.gz UNNFLYJHPYLYLL-DLBZAZTESA-N 2 0 289.423 1.181 10 0 CDAERP CCCNC(=O)[C@H](C)[NH2+]C1[C@@H]2CCC[C@H]1C[N@H+](C(C)C)C2 ZINC000040769217 174399068 /nfs/dbraw/zinc/39/90/68/174399068.db2.gz VHPFMYCARNBVNK-LSVZVQIISA-N 2 0 295.471 2.000 10 0 CDAERP CCC[NH+]1CCN([C@@H](c2ccccn2)[C@H]([NH3+])CC)CC1 ZINC000043338834 175013056 /nfs/dbraw/zinc/01/30/56/175013056.db2.gz FBFSOXGEHGRCBR-GDBMZVCRSA-N 2 0 276.428 1.888 10 0 CDAERP CC[NH+]1CCC(N(C)[C@H](C[NH3+])c2ccncc2)CC1 ZINC000043354750 175022190 /nfs/dbraw/zinc/02/21/90/175022190.db2.gz HBJNGLKFPIKUGY-OAHLLOKOSA-N 2 0 262.401 1.498 10 0 CDAERP C[C@@H]([NH3+])[C@@H](N1CCC([NH+](C)C)CC1)C(F)(F)F ZINC000043377612 175029985 /nfs/dbraw/zinc/02/99/85/175029985.db2.gz VDYFTGKXWBXXQR-PSASIEDQSA-N 2 0 253.312 1.291 10 0 CDAERP FC(F)(F)[C@H]1CCC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000043499938 175058557 /nfs/dbraw/zinc/05/85/57/175058557.db2.gz LSMDSOCMNYZKHJ-NSHDSACASA-N 2 0 265.323 1.166 10 0 CDAERP CC[NH2+][C@H](CN1CCC[N@H+](C)CC1)c1cccc(OC)c1 ZINC000043818387 175112968 /nfs/dbraw/zinc/11/29/68/175112968.db2.gz QHPNVVSHIAWSTE-QGZVFWFLSA-N 2 0 291.439 1.983 10 0 CDAERP CC[NH2+][C@H](CN(CCOC)[C@@H](C)COC)C(C)(C)C ZINC000043975779 175132925 /nfs/dbraw/zinc/13/29/25/175132925.db2.gz ZBFFKHCPPSYXSG-UONOGXRCSA-N 2 0 274.449 1.994 10 0 CDAERP CC[C@H]1CCN(C[C@@H]2CCCC[N@@H+]2C)CCC[NH2+]1 ZINC000044564197 175207527 /nfs/dbraw/zinc/20/75/27/175207527.db2.gz XAJUWAHATOPILE-GJZGRUSLSA-N 2 0 253.434 1.935 10 0 CDAERP [NH3+][C@H](CN[C@H]1CC[N@@H+](C2CC2)C1)Cc1ccccc1 ZINC000044679391 175228420 /nfs/dbraw/zinc/22/84/20/175228420.db2.gz HXMXJGQJLOIZTF-GJZGRUSLSA-N 2 0 259.397 1.383 10 0 CDAERP C[NH2+][C@@H](C)c1cccc(S(=O)(=O)NC[C@H](C)[NH+](C)C)c1 ZINC000045110259 175310110 /nfs/dbraw/zinc/31/01/10/175310110.db2.gz ZHQCBUWQCZQYLN-RYUDHWBXSA-N 2 0 299.440 1.195 10 0 CDAERP CCCC[N@H+](CC)CCCC[C@](C)([NH2+]C)C(N)=O ZINC000045370473 175364513 /nfs/dbraw/zinc/36/45/13/175364513.db2.gz DCZRUGILMHIAMT-AWEZNQCLSA-N 2 0 257.422 1.742 10 0 CDAERP COC(=O)[C@@](C)([NH3+])CCCC[N@H+](C)C1CCOCC1 ZINC000045394921 175376462 /nfs/dbraw/zinc/37/64/62/175376462.db2.gz YCRJMTPGCJMMRU-AWEZNQCLSA-N 2 0 272.389 1.158 10 0 CDAERP C[NH2+][C@](C)(CCCC[N@H+](C)C[C@@H]1CCCCO1)C(N)=O ZINC000045421227 175379997 /nfs/dbraw/zinc/37/99/97/175379997.db2.gz WBMLGYMAOGNQAF-DZGCQCFKSA-N 2 0 285.432 1.121 10 0 CDAERP CC[C@H]1CC[NH2+][C@H](C2(O)CC[NH+](C(C)C)CC2)C1 ZINC000070398637 175909930 /nfs/dbraw/zinc/90/99/30/175909930.db2.gz STKNNYMWUDYBEI-KBPBESRZSA-N 2 0 254.418 2.000 10 0 CDAERP CCC[NH2+][C@H]1CCN([C@@H](CC(C)C)C[NH+](C)C)C1=O ZINC000071032004 176023271 /nfs/dbraw/zinc/02/32/71/176023271.db2.gz KIZQJLCKWPBSGD-KBPBESRZSA-N 2 0 269.433 1.563 10 0 CDAERP CC[NH2+][C@@H]1CCCN(C[C@@H]2CCCC[N@@H+]2C)C1=O ZINC000071033665 176024299 /nfs/dbraw/zinc/02/42/99/176024299.db2.gz ZFSVUIKKZLFXGQ-QWHCGFSZSA-N 2 0 253.390 1.071 10 0 CDAERP C[C@@H](CC[NH+](C)C)N1CCC[C@@H]([NH2+]C2CC2)C1=O ZINC000071037259 176025741 /nfs/dbraw/zinc/02/57/41/176025741.db2.gz ODANZTJXHMLFHY-WCQYABFASA-N 2 0 253.390 1.070 10 0 CDAERP CC[NH+](CC)CCC[C@H](C)N1CCC[C@H]([NH2+]C)C1=O ZINC000071038075 176026443 /nfs/dbraw/zinc/02/64/43/176026443.db2.gz ZWEWWNRCRTZHBD-KBPBESRZSA-N 2 0 269.433 1.707 10 0 CDAERP CC[C@@H]1CCC[C@@](C[NH3+])(N2CCC[N@H+](C)CC2)C1 ZINC000071123088 176034841 /nfs/dbraw/zinc/03/48/41/176034841.db2.gz PZMRLOWPZJHHMQ-HUUCEWRRSA-N 2 0 253.434 1.922 10 0 CDAERP C[N@H+](CCN1CC[NH2+]CC1)[C@H]1CCOc2ccccc21 ZINC000071148893 176044474 /nfs/dbraw/zinc/04/44/74/176044474.db2.gz PMURJGMECPZQRC-HNNXBMFYSA-N 2 0 275.396 1.347 10 0 CDAERP CN1CC[C@@H]([N@H+](CCC[NH3+])C2CCCCC2)C1=O ZINC000071183289 176058501 /nfs/dbraw/zinc/05/85/01/176058501.db2.gz ALLAWTLPDGWYCU-CYBMUJFWSA-N 2 0 253.390 1.201 10 0 CDAERP COc1ccccc1[C@H]([C@@H](C)[NH3+])N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188041 176062002 /nfs/dbraw/zinc/06/20/02/176062002.db2.gz QTJRVJYSFCSZFP-CPUCHLNUSA-N 2 0 291.439 1.967 10 0 CDAERP CC[C@@H]([NH3+])[C@@H](c1ccccn1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188103 176062510 /nfs/dbraw/zinc/06/25/10/176062510.db2.gz DAOGBQMZTVUTPZ-FMKPAKJESA-N 2 0 276.428 1.744 10 0 CDAERP CN(C[C@H](O)c1ccc(C[NH3+])cc1)C[C@@H]1CC[N@H+](C)C1 ZINC000071188311 176062724 /nfs/dbraw/zinc/06/27/24/176062724.db2.gz ZZVULLGUSMKNRJ-ZBFHGGJFSA-N 2 0 277.412 1.062 10 0 CDAERP CC[C@@H]([NH3+])[C@@H](c1cccnc1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188129 176062751 /nfs/dbraw/zinc/06/27/51/176062751.db2.gz CEROQTFVZXEZON-FVQBIDKESA-N 2 0 276.428 1.744 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)C1(C[NH3+])CCSCC1 ZINC000071188439 176062983 /nfs/dbraw/zinc/06/29/83/176062983.db2.gz SRGKACUXHSMGOC-GFCCVEGCSA-N 2 0 257.447 1.094 10 0 CDAERP CCN[C@@](C)(CC[N@H+](C)C[C@@H]1CC[NH+](C)C1)C(=O)OCC ZINC000071191022 176068142 /nfs/dbraw/zinc/06/81/42/176068142.db2.gz DTSITKPWADXZSQ-ZBFHGGJFSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[NH2+]CC1(CN(C)C[C@@H]2CC[N@H+](C)C2)CCOCC1 ZINC000071191280 176069676 /nfs/dbraw/zinc/06/96/76/176069676.db2.gz MGEDSBRZCAQGKL-MRXNPFEDSA-N 2 0 297.487 1.666 10 0 CDAERP CC[NH2+]Cc1ccc(CN(C)C[C@@H]2CC[N@H+](C)C2)o1 ZINC000071191954 176071251 /nfs/dbraw/zinc/07/12/51/176071251.db2.gz VFSRPRLRHGMWOH-CYBMUJFWSA-N 2 0 265.401 1.773 10 0 CDAERP CC(C)[NH2+]Cc1cccc(N(C)C[C@@H]2CC[N@H+](C)C2)n1 ZINC000071191766 176072002 /nfs/dbraw/zinc/07/20/02/176072002.db2.gz XWLMCSQDFUGVPE-CQSZACIVSA-N 2 0 276.428 1.968 10 0 CDAERP Cc1cc(CN(C)C[C@H]2CC[N@H+](C)C2)oc1C[NH3+] ZINC000071191809 176072568 /nfs/dbraw/zinc/07/25/68/176072568.db2.gz BEKBSACLXALIRT-LBPRGKRZSA-N 2 0 251.374 1.430 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000071200582 176077549 /nfs/dbraw/zinc/07/75/49/176077549.db2.gz CRKPKWIYAAVFQA-LSDHHAIUSA-N 2 0 253.434 1.789 10 0 CDAERP COCC[N@H+](CCC[NH3+])CCOc1ccccc1 ZINC000071224525 176088436 /nfs/dbraw/zinc/08/84/36/176088436.db2.gz QHFUXONGCHACJB-UHFFFAOYSA-N 2 0 252.358 1.363 10 0 CDAERP CCCN(CC[NH+](C)C)Cc1ccc(F)cc1C(N)=[NH2+] ZINC000071267957 176101589 /nfs/dbraw/zinc/10/15/89/176101589.db2.gz FCDCJCCEUACNPJ-UHFFFAOYSA-N 2 0 280.391 1.883 10 0 CDAERP CN([C@@H]1CC[NH2+]C1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000071309807 176116788 /nfs/dbraw/zinc/11/67/88/176116788.db2.gz STJRMPHEMDSPES-GOSISDBHSA-N 2 0 287.451 1.987 10 0 CDAERP CCC[C@@](C)(C[NH3+])CN1CC[NH+](CC(C)(C)O)CC1 ZINC000071381797 176145585 /nfs/dbraw/zinc/14/55/85/176145585.db2.gz CKRVXEGOYAUWJE-HNNXBMFYSA-N 2 0 271.449 1.140 10 0 CDAERP CC(C)C[NH2+]CC(C)(C)CN1CC[NH+](CC(C)(C)O)CC1 ZINC000071381726 176145598 /nfs/dbraw/zinc/14/55/98/176145598.db2.gz PWYOLIDVNOKXLN-UHFFFAOYSA-N 2 0 299.503 1.647 10 0 CDAERP CC(C)[C@H](CC[NH3+])CCC(=O)NCC(C)(C)[NH+](C)C ZINC000079277775 177461433 /nfs/dbraw/zinc/46/14/33/177461433.db2.gz WHIGCHXAEZZAAE-ZDUSSCGKSA-N 2 0 271.449 1.844 10 0 CDAERP CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001666167419 1173114549 /nfs/dbraw/zinc/11/45/49/1173114549.db2.gz JXCFYHFFYFNNRJ-RDJZCZTQSA-N 2 0 293.455 1.711 10 0 CDAERP C[C@H](CCNC(=O)N[C@H]1CC[NH2+]C[C@H]1C)[NH+]1CCCCC1 ZINC000418013829 227837621 /nfs/dbraw/zinc/83/76/21/227837621.db2.gz ZVMPQGFMDSLXOI-KFWWJZLASA-N 2 0 296.459 1.548 10 0 CDAERP C[C@@H]1CCN(C(=O)C[C@@H]2CCC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000261851581 287523347 /nfs/dbraw/zinc/52/33/47/287523347.db2.gz QNVWEAWMNOPKEN-MCIONIFRSA-N 2 0 267.417 1.352 10 0 CDAERP C[C@@H]1CC[NH2+][C@H](C(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000335029916 287632196 /nfs/dbraw/zinc/63/21/96/287632196.db2.gz LBSIACMTUFNUJV-URGYJCLVSA-N 2 0 279.428 1.508 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1CCCC1(F)F ZINC000390581910 262222802 /nfs/dbraw/zinc/22/28/02/262222802.db2.gz DUOFYPIVYFHJPW-GHMZBOCLSA-N 2 0 250.333 1.765 10 0 CDAERP Cc1cc(C)n2c(C[NH2+][C@H]3CC[C@@H](C[NH3+])C3)cnc2n1 ZINC000415046813 263258352 /nfs/dbraw/zinc/25/83/52/263258352.db2.gz VHRFXDBLWQMPAD-OLZOCXBDSA-N 2 0 273.384 1.563 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000659485467 423809023 /nfs/dbraw/zinc/80/90/23/423809023.db2.gz QTENDWGVBJLQPI-CQSZACIVSA-N 2 0 298.475 1.781 10 0 CDAERP CCC[N@H+](CCO[C@@H]1CC1(F)F)C1CC[NH2+]CC1 ZINC000662263074 423810531 /nfs/dbraw/zinc/81/05/31/423810531.db2.gz KQHKNIHDVLKTQI-GFCCVEGCSA-N 2 0 262.344 1.875 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000653477552 423839823 /nfs/dbraw/zinc/83/98/23/423839823.db2.gz STTOGJYKIPLMFL-SOUVJXGZSA-N 2 0 296.459 1.500 10 0 CDAERP [NH3+]CCC[N@H+](CC1CCCC1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662274348 423840088 /nfs/dbraw/zinc/84/00/88/423840088.db2.gz WBBWKZOHZDDHMT-OAHLLOKOSA-N 3 0 281.444 1.348 10 0 CDAERP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2nc3c(s2)C[NH2+]CC3)C1 ZINC000663496026 423888730 /nfs/dbraw/zinc/88/87/30/423888730.db2.gz CGMTXLLMUGKYFI-ZJUUUORDSA-N 3 0 266.414 1.006 10 0 CDAERP CC(C)(C)[NH+]1CCC([NH2+][C@H]2C[C@@H](C(N)=O)C2)CC1 ZINC000651939924 423939540 /nfs/dbraw/zinc/93/95/40/423939540.db2.gz VDOWYIICGLCYTG-KLPPZKSPSA-N 2 0 253.390 1.103 10 0 CDAERP C[C@@H]1CCC[C@@H](CCNC(=O)[C@@H](N)CC[NH+](C)C)C1 ZINC000653089967 423917243 /nfs/dbraw/zinc/91/72/43/423917243.db2.gz ZZBJJODORLVHSF-RDBSUJKOSA-N 2 0 269.433 1.598 10 0 CDAERP [NH3+]CC1(CCNC(=O)NCCCCC[NH+]2CCCC2)CC1 ZINC000652194902 424015816 /nfs/dbraw/zinc/01/58/16/424015816.db2.gz AWCKELRJFKMRJR-UHFFFAOYSA-N 2 0 296.459 1.681 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000652225052 424085142 /nfs/dbraw/zinc/08/51/42/424085142.db2.gz OJUBVYYWGPEMHD-KGLIPLIRSA-N 2 0 284.448 1.356 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000662558062 424172114 /nfs/dbraw/zinc/17/21/14/424172114.db2.gz SMBRHBWZSNNYDB-AGIUHOORSA-N 2 0 255.406 1.112 10 0 CDAERP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000660835074 424280870 /nfs/dbraw/zinc/28/08/70/424280870.db2.gz CZFBNYAVTSMIBO-GJZGRUSLSA-N 2 0 296.459 1.500 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000659619696 424414627 /nfs/dbraw/zinc/41/46/27/424414627.db2.gz RQRZEIILYNDKJN-HZSPNIEDSA-N 2 0 282.432 1.001 10 0 CDAERP C[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)[NH+](C)C1CC1 ZINC000660856072 424389963 /nfs/dbraw/zinc/38/99/63/424389963.db2.gz XRIPJQDPGYPGKK-JSGCOSHPSA-N 2 0 296.459 1.641 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+]2C2CCCCC2)C1 ZINC000529715098 271019225 /nfs/dbraw/zinc/01/92/25/271019225.db2.gz ANXVKXZVLYYXNU-HOCLYGCPSA-N 2 0 293.455 1.851 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H](n2cccn2)C(F)(F)F)C1 ZINC000530208633 271151552 /nfs/dbraw/zinc/15/15/52/271151552.db2.gz GILSQIKAYBCVBH-MXWKQRLJSA-N 2 0 276.306 1.846 10 0 CDAERP COc1ccc(CC[NH2+]C2CCC(C[NH3+])CC2)cn1 ZINC000530219390 271161747 /nfs/dbraw/zinc/16/17/47/271161747.db2.gz JDEFYHSYENNHLV-UHFFFAOYSA-N 2 0 263.385 1.740 10 0 CDAERP COc1ccc(CC[NH2+][C@H]2CC[NH2+]CC[C@H]2C)cn1 ZINC000530224050 271167968 /nfs/dbraw/zinc/16/79/68/271167968.db2.gz VYRVTACBGNOMJJ-OCCSQVGLSA-N 2 0 263.385 1.610 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(O)CCc3ccccc32)CC[N@@H+]1C ZINC000246393283 274392448 /nfs/dbraw/zinc/39/24/48/274392448.db2.gz LCQONWGCYSPWNS-KMFMINBZSA-N 2 0 274.408 1.893 10 0 CDAERP C(C[NH+]1CCCCCC1)N[C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261988627 275391145 /nfs/dbraw/zinc/39/11/45/275391145.db2.gz SLQZBUZAGALIGE-GVDBMIGSSA-N 2 0 295.471 1.609 10 0 CDAERP C([NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1)[C@@H]1CCC[NH2+]1 ZINC000423229320 275395165 /nfs/dbraw/zinc/39/51/65/275395165.db2.gz ASZSVIGCNKCKLF-XQLPTFJDSA-N 2 0 252.402 1.923 10 0 CDAERP CC(C)(C)OC(=O)N1C[C@@H](C[NH3+])[C@H]([NH+]2CCCC2)C1 ZINC000058041278 275521213 /nfs/dbraw/zinc/52/12/13/275521213.db2.gz ZEJJUVYIKSWJFY-VXGBXAGGSA-N 2 0 269.389 1.276 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+]2CCCC[C@H]2C1 ZINC000246829164 276184809 /nfs/dbraw/zinc/18/48/09/276184809.db2.gz CRWKGHCRPRJPJC-GJZGRUSLSA-N 2 0 294.443 1.350 10 0 CDAERP CCn1ccnc1[C@@H](C)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423283591 276717669 /nfs/dbraw/zinc/71/76/69/276717669.db2.gz XMHMDSKGHRVFSJ-OLZOCXBDSA-N 2 0 250.390 1.943 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H](O)C2)[C@@H]2CCC[C@H]21 ZINC000353515877 277171530 /nfs/dbraw/zinc/17/15/30/277171530.db2.gz FZWPTFQZFFVWNM-OLMNGRFOSA-N 2 0 266.429 2.000 10 0 CDAERP CC(C)[C@@H](C(=O)NC1CCC(C[NH+](C)C)CC1)[C@H](C)[NH3+] ZINC000423746683 277720112 /nfs/dbraw/zinc/72/01/12/277720112.db2.gz OIQLULBJTCSRRJ-VXGQWTEUSA-N 2 0 283.460 1.842 10 0 CDAERP CC(C)[C@@H](O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000124064681 277764153 /nfs/dbraw/zinc/76/41/53/277764153.db2.gz NYYKDCPNDBPPSR-HNNXBMFYSA-N 2 0 254.418 1.811 10 0 CDAERP C[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)[NH+](C)C1CC1 ZINC000350028425 278198272 /nfs/dbraw/zinc/19/82/72/278198272.db2.gz VHURALBEINKYHN-IUODEOHRSA-N 2 0 294.443 1.347 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CC([N@H+](C)Cc2ccccc2)C1 ZINC000418718339 278310354 /nfs/dbraw/zinc/31/03/54/278310354.db2.gz IIRQJIVVCXXYDU-CHWSQXEVSA-N 2 0 290.411 1.248 10 0 CDAERP C[C@]1(C[NH3+])CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000261673522 278559999 /nfs/dbraw/zinc/55/99/99/278559999.db2.gz AGYPCDOXBWKBMG-GUIRCDHDSA-N 2 0 265.401 1.104 10 0 CDAERP CC(C)C[NH+]1CCC(N[C@@H]2CCC[NH2+]CC2)CC1 ZINC000422822053 278869822 /nfs/dbraw/zinc/86/98/22/278869822.db2.gz ZPIJZZBRLQETNL-CQSZACIVSA-N 2 0 253.434 1.839 10 0 CDAERP CC[N@H+](CC(=O)N1CCC([NH+]2CCCC2)CC1)C1CC1 ZINC000136019445 279048817 /nfs/dbraw/zinc/04/88/17/279048817.db2.gz JIYPKLLITNTWEO-UHFFFAOYSA-N 2 0 279.428 1.558 10 0 CDAERP CC(C)C[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000236647711 279174584 /nfs/dbraw/zinc/17/45/84/279174584.db2.gz SKTDUHDYOZTILC-XQQFMLRXSA-N 2 0 255.406 1.301 10 0 CDAERP C[C@H]1C[C@H]([NH2+]CCC2CCS(=O)(=O)CC2)CC[N@@H+]1C ZINC000358296137 280009465 /nfs/dbraw/zinc/00/94/65/280009465.db2.gz DRBPAJJPCWEWDL-GXTWGEPZSA-N 2 0 288.457 1.274 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000194150744 280025600 /nfs/dbraw/zinc/02/56/00/280025600.db2.gz BNYQPJIFQDRHRB-KBPBESRZSA-N 2 0 294.443 1.254 10 0 CDAERP CC[C@@H](NC[C@H]1CCC[N@@H+]1CCOC)[C@@H]1CCC[NH2+]1 ZINC000422710584 280190079 /nfs/dbraw/zinc/19/00/79/280190079.db2.gz LNKKUSNAVXGHCM-KFWWJZLASA-N 2 0 269.433 1.217 10 0 CDAERP CC[C@@H](O)C[N@H+](C)[C@H]1CCC[NH+](C[C@H](O)CC)CC1 ZINC000156982712 280200568 /nfs/dbraw/zinc/20/05/68/280200568.db2.gz FBKFAHOQOCZGGR-RRFJBIMHSA-N 2 0 272.433 1.315 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)OC(C)C)[C@@H](C)C1 ZINC000245441706 280208901 /nfs/dbraw/zinc/20/89/01/280208901.db2.gz VQGMBOZIUJKQPD-UONOGXRCSA-N 2 0 270.417 1.990 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)OC(C)C)[C@@H](C)C1 ZINC000245441705 280209024 /nfs/dbraw/zinc/20/90/24/280209024.db2.gz VQGMBOZIUJKQPD-KBPBESRZSA-N 2 0 270.417 1.990 10 0 CDAERP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)C1(C)C ZINC000245849049 280234505 /nfs/dbraw/zinc/23/45/05/280234505.db2.gz FZTKWSGIPINOPP-RBSFLKMASA-N 2 0 284.444 1.626 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)N(C)[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000246204206 280263232 /nfs/dbraw/zinc/26/32/32/280263232.db2.gz NCQOAQDMDUEQTC-SOUVJXGZSA-N 2 0 296.459 1.595 10 0 CDAERP CC[NH+](CC)CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247391052 280331362 /nfs/dbraw/zinc/33/13/62/280331362.db2.gz GQKWXIKOQGXSLZ-QWHCGFSZSA-N 2 0 255.406 1.269 10 0 CDAERP c1cn([C@@H]2CCC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)nn1 ZINC000520823848 281058277 /nfs/dbraw/zinc/05/82/77/281058277.db2.gz NWYJTKOHDGFFCJ-QGZVFWFLSA-N 2 0 297.406 1.761 10 0 CDAERP C[NH+](C)C(C)(C)CNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000431511342 282014871 /nfs/dbraw/zinc/01/48/71/282014871.db2.gz XXQHJTRMGZWNJB-CYBMUJFWSA-N 2 0 269.433 1.707 10 0 CDAERP C[NH+](C)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000336324704 289066343 /nfs/dbraw/zinc/06/63/43/289066343.db2.gz ZILZHIGIVPIIME-UHFFFAOYSA-N 2 0 265.401 1.167 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000334926080 289101642 /nfs/dbraw/zinc/10/16/42/289101642.db2.gz XVKKPWOQGDFBGL-JYVUQVBGSA-N 2 0 294.443 1.110 10 0 CDAERP C[NH+](C)CCOCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353669358 289170297 /nfs/dbraw/zinc/17/02/97/289170297.db2.gz IXGGQFFVYGDFLJ-ZNMIVQPWSA-N 3 0 269.433 1.027 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC000362751705 289210564 /nfs/dbraw/zinc/21/05/64/289210564.db2.gz IZOZHRMTQQWIQC-CQSZACIVSA-N 2 0 267.417 1.271 10 0 CDAERP CN(CCC(=O)N1CC[NH2+]C(C)(C)C1)c1cc[nH+]cc1 ZINC000543713246 289609375 /nfs/dbraw/zinc/60/93/75/289609375.db2.gz SNWZENJBVOIDMS-UHFFFAOYSA-N 2 0 276.384 1.118 10 0 CDAERP O=C([C@H]1CCCCC[NH2+]1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000557191589 290334891 /nfs/dbraw/zinc/33/48/91/290334891.db2.gz MHHOCHGZNPNZOA-UKRRQHHQSA-N 2 0 265.401 1.121 10 0 CDAERP [NH3+]C1(CNC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CCCCCC1 ZINC000557196333 290335035 /nfs/dbraw/zinc/33/50/35/290335035.db2.gz DYFBRWMCCMKHGW-CYBMUJFWSA-N 2 0 294.443 1.574 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCO[C@H](CC(C)C)C1 ZINC000423040792 293097265 /nfs/dbraw/zinc/09/72/65/293097265.db2.gz HZKOVDZVOMFUEH-QLFBSQMISA-N 2 0 272.433 1.924 10 0 CDAERP CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1 ZINC000562983621 293233600 /nfs/dbraw/zinc/23/36/00/293233600.db2.gz AFLZIXXZTRWHKY-ZACQAIPSSA-N 2 0 297.487 1.399 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)cc1 ZINC000568264790 294003765 /nfs/dbraw/zinc/00/37/65/294003765.db2.gz WFZKUWVWJNGZEH-SGIREYDYSA-N 2 0 273.380 1.322 10 0 CDAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@H]1CCC[C@H](F)C1 ZINC000570389989 294227710 /nfs/dbraw/zinc/22/77/10/294227710.db2.gz IHYKLTYQXBKGNZ-KBPBESRZSA-N 2 0 287.423 1.467 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CC[NH2+]1 ZINC000570398112 294231409 /nfs/dbraw/zinc/23/14/09/294231409.db2.gz GCWOMBFXUGBRSH-BYNSBNAKSA-N 2 0 279.428 1.317 10 0 CDAERP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CCCC(C)(C)C2)CC1 ZINC000573914703 294909657 /nfs/dbraw/zinc/90/96/57/294909657.db2.gz PQHQCQGAGXTXSV-CABCVRRESA-N 2 0 283.460 1.153 10 0 CDAERP CC(C)[C@H](C(=O)N1C[C@H]([NH3+])Cc2ccccc21)[C@H](C)[NH3+] ZINC000574512047 295010569 /nfs/dbraw/zinc/01/05/69/295010569.db2.gz HTONWTMPGRFTTM-LNSITVRQSA-N 2 0 275.396 1.522 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)CC[NH2+]C1CC1 ZINC000574927103 295078424 /nfs/dbraw/zinc/07/84/24/295078424.db2.gz XQRMXHWGACNEIG-GFCCVEGCSA-N 2 0 253.390 1.119 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)CC[NH2+]C1CC1 ZINC000574927104 295078625 /nfs/dbraw/zinc/07/86/25/295078625.db2.gz XQRMXHWGACNEIG-LBPRGKRZSA-N 2 0 253.390 1.119 10 0 CDAERP [NH3+]CCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423182042 295231718 /nfs/dbraw/zinc/23/17/18/295231718.db2.gz GJFOBBKERWBNFA-ZFWWWQNUSA-N 3 0 261.369 1.181 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000418601187 297105985 /nfs/dbraw/zinc/10/59/85/297105985.db2.gz UDPCMWPNWKHRLU-IJEWVQPXSA-N 2 0 294.443 1.112 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)[C@@H]1C ZINC000414183043 297283551 /nfs/dbraw/zinc/28/35/51/297283551.db2.gz DPLZVHHUMNJWKE-BZUAXINKSA-N 2 0 295.471 1.417 10 0 CDAERP C[C@H](C(=O)N1CCC[C@@H]1C[NH+](C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000411914196 298032395 /nfs/dbraw/zinc/03/23/95/298032395.db2.gz SUMGAVNVBHGEJK-LXTVHRRPSA-N 2 0 281.444 1.800 10 0 CDAERP C[C@H](CCCC[NH3+])NC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000417818150 298390874 /nfs/dbraw/zinc/39/08/74/298390874.db2.gz ALOILTDYOYMERK-VXGBXAGGSA-N 2 0 255.406 1.398 10 0 CDAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCCCCC[NH+]1CCCC1 ZINC000418209953 300325808 /nfs/dbraw/zinc/32/58/08/300325808.db2.gz CIMDOPKKCRVSHU-LSDHHAIUSA-N 2 0 296.459 1.550 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001669376355 1173542431 /nfs/dbraw/zinc/54/24/31/1173542431.db2.gz IZPIJEBIDHIVCO-MCIONIFRSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]([NH+](C)C)C2)CC1 ZINC000174583807 315889717 /nfs/dbraw/zinc/88/97/17/315889717.db2.gz DONCTGLHRZVIOE-AWEZNQCLSA-N 2 0 267.417 1.269 10 0 CDAERP CC[NH+](CC)C[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000563384446 316282325 /nfs/dbraw/zinc/28/23/25/316282325.db2.gz MHZCBOHWHYZOPM-GJZGRUSLSA-N 2 0 281.444 1.519 10 0 CDAERP CCCC[C@@H](CCC)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000563806048 316373423 /nfs/dbraw/zinc/37/34/23/316373423.db2.gz NRNHZGXPYBJPDS-CVEARBPZSA-N 2 0 285.476 1.543 10 0 CDAERP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)[C@H]1C[C@H]1C ZINC000575151059 316969440 /nfs/dbraw/zinc/96/94/40/316969440.db2.gz GRVCSMMSSHIZMX-ILXRZTDVSA-N 2 0 253.434 1.648 10 0 CDAERP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc(CO)c(F)c2)C1 ZINC000575935100 317043704 /nfs/dbraw/zinc/04/37/04/317043704.db2.gz FPRVPRLCYKUYPJ-QWHCGFSZSA-N 2 0 252.333 1.678 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CC[C@H](O)CC1 ZINC000577299737 317305531 /nfs/dbraw/zinc/30/55/31/317305531.db2.gz VNCZZBDCEHGNHX-KOMQPUFPSA-N 2 0 286.379 1.969 10 0 CDAERP C[C@H]([NH3+])[C@H](C)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000577382209 317319665 /nfs/dbraw/zinc/31/96/65/317319665.db2.gz FANVRUHALRIBJD-GMZLATJGSA-N 2 0 275.396 1.568 10 0 CDAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+]1CCCC[C@@H]1C ZINC000577408632 317327117 /nfs/dbraw/zinc/32/71/17/317327117.db2.gz BLPGOCYRHFRQJF-QLFBSQMISA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[NH2+]CCC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000577712325 317386308 /nfs/dbraw/zinc/38/63/08/317386308.db2.gz HPTIZBBYNQVWGH-LBPRGKRZSA-N 2 0 263.385 1.711 10 0 CDAERP CC(C)C[C@H]([NH3+])c1noc([C@@H]2C[C@]23CC[NH2+]C3)n1 ZINC000577750581 317398578 /nfs/dbraw/zinc/39/85/78/317398578.db2.gz MOICHPOVZBWKOY-KWBADKCTSA-N 2 0 250.346 1.583 10 0 CDAERP CC[NH2+]CC[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001672854793 1173806065 /nfs/dbraw/zinc/80/60/65/1173806065.db2.gz YRDFJUUJWIJDLX-ZDUSSCGKSA-N 2 0 255.406 1.176 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)N(C)CCC[NH+](C)C)CC1 ZINC000185847379 323398672 /nfs/dbraw/zinc/39/86/72/323398672.db2.gz WYEOAVPUZCUAPJ-UHFFFAOYSA-N 2 0 298.475 1.844 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000578986623 324073780 /nfs/dbraw/zinc/07/37/80/324073780.db2.gz KUHXNIALAVFECZ-XUWVNRHRSA-N 2 0 293.455 1.837 10 0 CDAERP C[C@H](CC(=O)N1CC2CCC1(C[NH3+])CC2)C1CC[NH2+]CC1 ZINC000583388544 325166636 /nfs/dbraw/zinc/16/66/36/325166636.db2.gz MZOBPHZIWMCIRX-TUBUQKNSSA-N 2 0 293.455 1.742 10 0 CDAERP C[C@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)[C@H]1CCC[C@@H](C)C1 ZINC000584154212 327051476 /nfs/dbraw/zinc/05/14/76/327051476.db2.gz AJBVXNAFIMUIQE-QZWWFDLISA-N 2 0 297.487 1.399 10 0 CDAERP CC[NH2+]C[C@@](C)(NC(=O)C[N@H+](C)C(C)C)C1CC1 ZINC001698652644 1175887546 /nfs/dbraw/zinc/88/75/46/1175887546.db2.gz LIEMTOYIGBLAOH-CQSZACIVSA-N 2 0 255.406 1.221 10 0 CDAERP CC/C=C\CC[NH2+]CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001691458945 1159318723 /nfs/dbraw/zinc/31/87/23/1159318723.db2.gz MHMAMPPWBLWSMW-WAYWQWQTSA-N 2 0 281.444 1.733 10 0 CDAERP CN(CC[NH2+]C/C=C\Cl)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001731921303 1159391647 /nfs/dbraw/zinc/39/16/47/1159391647.db2.gz BKGMHOXLNUEBAM-UKOWJOKBSA-N 2 0 287.835 1.661 10 0 CDAERP CCCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001481030530 1159485653 /nfs/dbraw/zinc/48/56/53/1159485653.db2.gz IRFQPCQULPPQDZ-GJZGRUSLSA-N 2 0 281.444 1.851 10 0 CDAERP CCN(CC[NH2+]C[C@@H](C)OC)C(=O)CC1CC[NH+](C)CC1 ZINC001732800276 1160227714 /nfs/dbraw/zinc/22/77/14/1160227714.db2.gz QVSBBCVWKRXBSR-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP O[C@H]1CC[N@@H+](C2CC[NH+](C[C@H]3CC=CCC3)CC2)C1 ZINC000668739139 482220571 /nfs/dbraw/zinc/22/05/71/482220571.db2.gz JDLKUZKYKUACCI-HOCLYGCPSA-N 2 0 264.413 1.874 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)CC2([NH3+])CC2)C[N@@H+]1Cc1ccccc1 ZINC000398120371 482244815 /nfs/dbraw/zinc/24/48/15/482244815.db2.gz ASYJKDJAJCUKDD-HIFRSBDPSA-N 2 0 287.407 1.647 10 0 CDAERP CC(C)[NH+]1CCC(N(C)C(=O)CC2([NH3+])CC2)CC1 ZINC000398098038 482312971 /nfs/dbraw/zinc/31/29/71/482312971.db2.gz QZIBBEHTCGMCCJ-UHFFFAOYSA-N 2 0 253.390 1.199 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000652291839 482459047 /nfs/dbraw/zinc/45/90/47/482459047.db2.gz KJAZERNTBJDWDG-IUODEOHRSA-N 2 0 290.411 1.285 10 0 CDAERP Cc1ccc(-c2nn(C)cc2C[N@@H+](C)CC2CN(C)C2)o1 ZINC000668539385 482471562 /nfs/dbraw/zinc/47/15/62/482471562.db2.gz UPMPKLSPJIQBJO-UHFFFAOYSA-N 2 0 288.395 1.982 10 0 CDAERP C[C@H]1C[C@@H](C[NH+]2CCN(C(=O)CC(C)(C)C)CC2)CC[NH2+]1 ZINC000666619080 482485351 /nfs/dbraw/zinc/48/53/51/482485351.db2.gz VOUQCIRCQQXIMA-GJZGRUSLSA-N 2 0 295.471 1.955 10 0 CDAERP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)COCc1ccco1 ZINC000158041777 482516641 /nfs/dbraw/zinc/51/66/41/482516641.db2.gz JQXJMMPGYVRFOS-RRFJBIMHSA-N 2 0 294.395 1.374 10 0 CDAERP Cn1nccc1CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000230774397 482571522 /nfs/dbraw/zinc/57/15/22/482571522.db2.gz IMGZKXBBYYSAJW-HIFRSBDPSA-N 2 0 262.401 1.427 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000417284724 482578498 /nfs/dbraw/zinc/57/84/98/482578498.db2.gz FVBJXKFDDXHNNP-GOEBONIOSA-N 2 0 296.459 1.502 10 0 CDAERP CN1CCN(C(=O)C[NH2+][C@H]2CC[C@@H]2C(C)(C)C)CC1 ZINC000672602899 482580083 /nfs/dbraw/zinc/58/00/83/482580083.db2.gz RWPUGTQVXGPLRE-STQMWFEESA-N 2 0 267.417 1.175 10 0 CDAERP CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000669530081 482597135 /nfs/dbraw/zinc/59/71/35/482597135.db2.gz PQFRMEUKRBEFCU-BFHYXJOUSA-N 2 0 282.432 1.158 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH3+])o2)[C@@H](C)C1 ZINC000236903437 482625975 /nfs/dbraw/zinc/62/59/75/482625975.db2.gz ZBDFHYKUTWZEFQ-WCQYABFASA-N 2 0 279.384 1.541 10 0 CDAERP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000227881386 482747938 /nfs/dbraw/zinc/74/79/38/482747938.db2.gz YKXRLEZNGKWQMK-BFHYXJOUSA-N 2 0 265.401 1.071 10 0 CDAERP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000681260797 482774908 /nfs/dbraw/zinc/77/49/08/482774908.db2.gz CCXBRFMEVXASKC-NWDGAFQWSA-N 2 0 255.406 1.364 10 0 CDAERP [NH3+]C1(CC(=O)N2CCC(C[NH+]3CCCC3)CC2)CCC1 ZINC000094294768 482776132 /nfs/dbraw/zinc/77/61/32/482776132.db2.gz MFAQPDBOHDLHBY-UHFFFAOYSA-N 2 0 279.428 1.592 10 0 CDAERP C[NH+](C)C1(CNC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)CCC1 ZINC000334951986 482786872 /nfs/dbraw/zinc/78/68/72/482786872.db2.gz LDSMBRBQDUXLPQ-OAHLLOKOSA-N 2 0 294.443 1.256 10 0 CDAERP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1C[C@H]1C ZINC000666089958 482906138 /nfs/dbraw/zinc/90/61/38/482906138.db2.gz BPBDSGZMBICENF-KQTLUZQSSA-N 2 0 265.445 1.789 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000088288894 482932080 /nfs/dbraw/zinc/93/20/80/482932080.db2.gz YDHVBKVLWORACD-STQMWFEESA-N 2 0 255.406 1.160 10 0 CDAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(C[NH3+])c1 ZINC000251541321 483050164 /nfs/dbraw/zinc/05/01/64/483050164.db2.gz ATYJTFNOYPLTPW-WFASDCNBSA-N 2 0 288.395 1.846 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089453799 483078825 /nfs/dbraw/zinc/07/88/25/483078825.db2.gz DUFQYGNRZOVUKN-GXTWGEPZSA-N 2 0 267.417 1.350 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089457583 483080774 /nfs/dbraw/zinc/08/07/74/483080774.db2.gz NEVOZLXMDSHMFC-KBPBESRZSA-N 2 0 267.417 1.162 10 0 CDAERP C[NH2+][C@H](C)C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000390808343 483140517 /nfs/dbraw/zinc/14/05/17/483140517.db2.gz OGTGGDGUEQAMCF-FMKPAKJESA-N 2 0 289.423 1.621 10 0 CDAERP C[C@H](NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1nccn1C ZINC000667253967 483178531 /nfs/dbraw/zinc/17/85/31/483178531.db2.gz MNWMTSKEAIKUKH-QWHCGFSZSA-N 2 0 289.383 1.137 10 0 CDAERP CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](C(N)=O)C2)CC1 ZINC000675893189 483377667 /nfs/dbraw/zinc/37/76/67/483377667.db2.gz AGEGCUPQOCCIRW-GXTWGEPZSA-N 2 0 267.417 1.495 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000136451358 483404451 /nfs/dbraw/zinc/40/44/51/483404451.db2.gz WJZKJRWDOBQIBY-AWEZNQCLSA-N 2 0 267.417 1.447 10 0 CDAERP CC(C)C[NH2+]CCC[C@@H](C)[N@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000052482894 519743773 /nfs/dbraw/zinc/74/37/73/519743773.db2.gz CCSKEPOVPQCNIS-ZIAGYGMSSA-N 2 0 290.473 1.520 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000061299454 519904732 /nfs/dbraw/zinc/90/47/32/519904732.db2.gz HJQPXMNCLABTSC-UHFFFAOYSA-N 2 0 267.417 1.461 10 0 CDAERP COCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001670868399 1160991309 /nfs/dbraw/zinc/99/13/09/1160991309.db2.gz NQTIORKESGELNH-AWEZNQCLSA-N 2 0 297.443 1.134 10 0 CDAERP CC[NH2+]CC1(C[N@@H+]2CCCC[C@@H]2CO)CCOCC1 ZINC000052183575 519912647 /nfs/dbraw/zinc/91/26/47/519912647.db2.gz PTWWXVUPUHQCCA-CQSZACIVSA-N 2 0 270.417 1.240 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000061230355 519962779 /nfs/dbraw/zinc/96/27/79/519962779.db2.gz MHSORKJCNBWRCU-STQMWFEESA-N 2 0 255.406 1.223 10 0 CDAERP CCOCC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001671402804 1161394568 /nfs/dbraw/zinc/39/45/68/1161394568.db2.gz DRRMVRMYHNMUOV-CQSZACIVSA-N 2 0 297.443 1.088 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@@]2(CC)CC[NH2+]C2)CC1 ZINC000062902374 521551504 /nfs/dbraw/zinc/55/15/04/521551504.db2.gz LFBVZZOMHFUENN-HNNXBMFYSA-N 2 0 267.417 1.224 10 0 CDAERP CCC[N@H+](CCC[C@H]1CCC[NH2+]1)CC(=O)N(C)C ZINC000052764493 521654589 /nfs/dbraw/zinc/65/45/89/521654589.db2.gz CCFMWTGVTCNZSX-CYBMUJFWSA-N 2 0 255.406 1.319 10 0 CDAERP CC(C)=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001691672582 1161552035 /nfs/dbraw/zinc/55/20/35/1161552035.db2.gz MIGWPPRNYHNAPI-HRCADAONSA-N 2 0 293.455 1.779 10 0 CDAERP CCc1nc(N(C)[C@@H]2CCC[N@H+](C)C2)sc1C[NH3+] ZINC000054998277 522381585 /nfs/dbraw/zinc/38/15/85/522381585.db2.gz QLENMZYJCDMNIE-SNVBAGLBSA-N 2 0 268.430 1.695 10 0 CDAERP CC(C)[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001410304243 1161919224 /nfs/dbraw/zinc/91/92/24/1161919224.db2.gz GEGJCFDHNGXJPP-DZGCQCFKSA-N 2 0 281.444 1.563 10 0 CDAERP C[C@H](CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC1CC1 ZINC001725501840 1182027267 /nfs/dbraw/zinc/02/72/67/1182027267.db2.gz BTEBJXUJFJZVDF-QWHCGFSZSA-N 2 0 267.417 1.175 10 0 CDAERP CC(C)(C)[NH2+]Cc1cn(CC[N@@H+]2CCCSCC2)nn1 ZINC000052371090 518766204 /nfs/dbraw/zinc/76/62/04/518766204.db2.gz ZCRXDCOOYPJRNV-UHFFFAOYSA-N 2 0 297.472 1.605 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)C2CCC(C[NH3+])CC2)C1 ZINC000055162006 519685528 /nfs/dbraw/zinc/68/55/28/519685528.db2.gz KGQNGFVIRBUMJB-SLTAFYQDSA-N 2 0 281.444 1.598 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)[C@H](C[NH3+])c1ccccc1 ZINC000061612225 519716125 /nfs/dbraw/zinc/71/61/25/519716125.db2.gz NJCDVHFHLTZWJF-MRXNPFEDSA-N 2 0 291.439 1.775 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)[C@H]1CCC[C@H](C[NH3+])C1 ZINC000055161474 519716452 /nfs/dbraw/zinc/71/64/52/519716452.db2.gz OVAPPYSUMWSFPX-GJZGRUSLSA-N 2 0 283.460 1.798 10 0 CDAERP CC(C)[NH2+]C[C@@H](C(C)C)N1CCN(CC[NH+](C)C)CC1 ZINC000061654972 519722760 /nfs/dbraw/zinc/72/27/60/519722760.db2.gz SIGAXJADIOJYFN-INIZCTEOSA-N 2 0 284.492 1.188 10 0 CDAERP CC(C)C[NH+]1CCN(C[C@H](O)c2ccc(C[NH3+])cc2)CC1 ZINC000055077725 519726680 /nfs/dbraw/zinc/72/66/80/519726680.db2.gz XIKHOAIACQWRIG-KRWDZBQOSA-N 2 0 291.439 1.452 10 0 CDAERP CC(C)C[NH+]1CCN(c2ccc(C[NH2+]C3CC3)nn2)CC1 ZINC000055082520 519728289 /nfs/dbraw/zinc/72/82/89/519728289.db2.gz FBYWFDHAQXFHDA-UHFFFAOYSA-N 2 0 289.427 1.507 10 0 CDAERP CC(C)[NH2+]Cc1cn(CC[N@@H+]2CCCC[C@H]2C)nn1 ZINC000052378854 519728375 /nfs/dbraw/zinc/72/83/75/519728375.db2.gz YCPQFBNGRYZYSP-CYBMUJFWSA-N 2 0 265.405 1.651 10 0 CDAERP CC(C)[NH2+][C@@](C)(C[C@H](C)N1CCC([NH+](C)C)CC1)C(N)=O ZINC000068625378 519736686 /nfs/dbraw/zinc/73/66/86/519736686.db2.gz IVAFEPUNSYQYCE-BBRMVZONSA-N 3 0 298.475 1.033 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000055138059 519775183 /nfs/dbraw/zinc/77/51/83/519775183.db2.gz NLRUWVPELOCBRX-ILXRZTDVSA-N 2 0 283.460 1.987 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@H]2[C@@H](C)CCC[C@@H]2[NH3+])CC1 ZINC000055141546 519846031 /nfs/dbraw/zinc/84/60/31/519846031.db2.gz NGBGYSALRKPLHX-QEJZJMRPSA-N 2 0 281.444 1.741 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@H](C)C[NH2+]CC)CC1 ZINC000061267175 519846186 /nfs/dbraw/zinc/84/61/86/519846186.db2.gz AMJNSVKANJVWOY-GFCCVEGCSA-N 2 0 255.406 1.223 10 0 CDAERP CCC[NH+]1CCN(C[C@]2(C[NH2+]CC)CCCOC2)CC1 ZINC000069051930 519858455 /nfs/dbraw/zinc/85/84/55/519858455.db2.gz HNGAQUWOEBLUKK-MRXNPFEDSA-N 2 0 283.460 1.420 10 0 CDAERP CCC[NH+]1CCN(Cc2cc(C[NH2+]C)oc2C)CC1 ZINC000052422064 519858522 /nfs/dbraw/zinc/85/85/22/519858522.db2.gz ZLCHWUVRHUIYCH-UHFFFAOYSA-N 2 0 265.401 1.835 10 0 CDAERP CCC[NH+]1CCN(Cc2cc(C[NH3+])c(C)o2)CC1 ZINC000052421875 519858740 /nfs/dbraw/zinc/85/87/40/519858740.db2.gz BPQCJPFLNKFJAU-UHFFFAOYSA-N 2 0 251.374 1.574 10 0 CDAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCOC)CC1 ZINC000062734834 519860215 /nfs/dbraw/zinc/86/02/15/519860215.db2.gz RYEYYPYYHQVBQS-UHFFFAOYSA-N 2 0 291.439 1.955 10 0 CDAERP CCC[NH2+]CCCCC[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061654966 519911670 /nfs/dbraw/zinc/91/16/70/519911670.db2.gz KOKLGFZIMJETNI-UHFFFAOYSA-N 3 0 284.492 1.336 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@H](COCC[NH+](CC)CC)O1 ZINC000052672009 519939906 /nfs/dbraw/zinc/93/99/06/519939906.db2.gz FJWXPCWUJHFJBG-HUUCEWRRSA-N 2 0 272.433 1.892 10 0 CDAERP CC[NH2+]C[C@@H](C)CN1CC[NH+](C2CCCC2)CC1 ZINC000052573475 519943093 /nfs/dbraw/zinc/94/30/93/519943093.db2.gz MMBUURQXXAGWHZ-CQSZACIVSA-N 2 0 253.434 1.792 10 0 CDAERP CC[NH2+]Cc1cnc(N2CCC[C@H]2C[NH+](C)C)s1 ZINC000061655449 520015261 /nfs/dbraw/zinc/01/52/61/520015261.db2.gz DDXKJCPVBYDCOL-NSHDSACASA-N 2 0 268.430 1.783 10 0 CDAERP CCC[NH2+][C@@](C)(C[C@H](C)N(C)CC[NH+]1CCCC1)C(N)=O ZINC000068646229 520043656 /nfs/dbraw/zinc/04/36/56/520043656.db2.gz LOZRQWOYARSFNP-HOCLYGCPSA-N 2 0 298.475 1.036 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000061272795 520061865 /nfs/dbraw/zinc/06/18/65/520061865.db2.gz AKPLCHNFIZEVAW-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP CC[NH2+][C@@](CO)(CN1CC[C@H]([NH+](CC)CC)C1)C1CC1 ZINC000070337472 520154408 /nfs/dbraw/zinc/15/44/08/520154408.db2.gz RTGAAJJGHOBEBE-JKSUJKDBSA-N 2 0 283.460 1.153 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000236713162 520408360 /nfs/dbraw/zinc/40/83/60/520408360.db2.gz UWNWBKCVOPUTDL-QWHCGFSZSA-N 2 0 255.406 1.352 10 0 CDAERP CC[NH+](CC)CC(=O)NCC[NH2+]C1CCCCCC1 ZINC000236842097 520578428 /nfs/dbraw/zinc/57/84/28/520578428.db2.gz CZBYPXDWDNPQDO-UHFFFAOYSA-N 2 0 269.433 1.757 10 0 CDAERP CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc(NN)[nH+]c1 ZINC000051092230 520628462 /nfs/dbraw/zinc/62/84/62/520628462.db2.gz RKCKXQSEPUHXOX-GFCCVEGCSA-N 2 0 293.415 1.608 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC000366193824 521545717 /nfs/dbraw/zinc/54/57/17/521545717.db2.gz QSINCTDKECENBN-UHFFFAOYSA-N 2 0 293.455 1.853 10 0 CDAERP CC[NH+]1CCC([C@H](C)[NH2+]CCN(C)CCOC)CC1 ZINC000061376302 521585436 /nfs/dbraw/zinc/58/54/36/521585436.db2.gz BXORBSPRWFKFSO-AWEZNQCLSA-N 2 0 271.449 1.275 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)CC[C@@H]2CCCC[NH2+]2)C1 ZINC000050949658 521617949 /nfs/dbraw/zinc/61/79/49/521617949.db2.gz FOAJJEXLCZTIFJ-UONOGXRCSA-N 2 0 267.417 1.509 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000055090250 521655459 /nfs/dbraw/zinc/65/54/59/521655459.db2.gz GXSYANBGTCOZPC-QWHCGFSZSA-N 2 0 255.406 1.304 10 0 CDAERP C[NH+](C)CCN1CCN(CC[NH2+]C2CCCCCC2)CC1 ZINC000061655307 521764029 /nfs/dbraw/zinc/76/40/29/521764029.db2.gz XLHCBAPHCKNIBV-UHFFFAOYSA-N 2 0 296.503 1.478 10 0 CDAERP C[NH+](C)CCN1CC[NH+]([C@H]2CCCCC[C@@H]2C[NH3+])CC1 ZINC000061642677 521768752 /nfs/dbraw/zinc/76/87/52/521768752.db2.gz CSOPJKFJJUFYJH-CVEARBPZSA-N 3 0 282.476 1.073 10 0 CDAERP CCc1ccccc1C[NH2+]CCN1CC[NH+](C)CC1 ZINC000052202822 521840413 /nfs/dbraw/zinc/84/04/13/521840413.db2.gz ORFXGARBLSSTJM-UHFFFAOYSA-N 2 0 261.413 1.586 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000061642174 521872356 /nfs/dbraw/zinc/87/23/56/521872356.db2.gz JTNOWEFPBWTWOK-CABCVRRESA-N 2 0 265.376 1.852 10 0 CDAERP C[NH+](C)[C@H]1CCN(CC[NH2+]CCc2cccs2)C1 ZINC000062974170 522105438 /nfs/dbraw/zinc/10/54/38/522105438.db2.gz IXQAOJYGQHGVFD-ZDUSSCGKSA-N 2 0 267.442 1.516 10 0 CDAERP C[NH2+]Cc1ccccc1C[N@H+](CCOC)[C@@H](C)COC ZINC000052572447 522134654 /nfs/dbraw/zinc/13/46/54/522134654.db2.gz PJOMFRFSMAZVCN-AWEZNQCLSA-N 2 0 280.412 1.889 10 0 CDAERP C[NH2+]Cc1ccccc1OCC[N@H+](C)[C@H](C)COC ZINC000052511616 522139164 /nfs/dbraw/zinc/13/91/64/522139164.db2.gz NHBSBOLASISCLC-CYBMUJFWSA-N 2 0 266.385 1.752 10 0 CDAERP C[NH2+]Cc1occc1C[N@H+](CCCOC)CCOC ZINC000052543246 522165477 /nfs/dbraw/zinc/16/54/77/522165477.db2.gz GRKILLDNYTYFFU-UHFFFAOYSA-N 2 0 270.373 1.484 10 0 CDAERP C[NH2+][C@H](CN1CCC[C@@H]1C[NH+](C)C)c1ccccc1 ZINC000061643468 522466564 /nfs/dbraw/zinc/46/65/64/522466564.db2.gz ZQSLUIZKQOGTAD-HZPDHXFCSA-N 2 0 261.413 1.973 10 0 CDAERP C[NH2+][C@H]1c2ccccc2C[C@@H]1N1CC[C@H]([NH+](C)C)C1 ZINC000062965025 522510853 /nfs/dbraw/zinc/51/08/53/522510853.db2.gz QCHXCSXMQBVIBK-BPUTZDHNSA-N 2 0 259.397 1.508 10 0 CDAERP COCCC[N@H+](CCOC)Cc1cc(F)ccc1C[NH3+] ZINC000069401377 523254452 /nfs/dbraw/zinc/25/44/52/523254452.db2.gz HCRIJAZESBJKLK-UHFFFAOYSA-N 2 0 284.375 1.769 10 0 CDAERP COCC[N@H+]([C@H](C)CC[NH2+]CC(C)C)[C@@H](C)COC ZINC000052572465 523780944 /nfs/dbraw/zinc/78/09/44/523780944.db2.gz YEORWJAEKZUTLQ-CABCVRRESA-N 2 0 274.449 1.994 10 0 CDAERP C[NH+]1CCN(c2cc(Cl)ccc2C(N)=[NH2+])CC1 ZINC000062788735 523923776 /nfs/dbraw/zinc/92/37/76/523923776.db2.gz HFOQPTLXSTXCDV-UHFFFAOYSA-N 2 0 252.749 1.376 10 0 CDAERP COCC[NH2+]CC1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000053660974 523935961 /nfs/dbraw/zinc/93/59/61/523935961.db2.gz LVPLENBBSSYONK-OAHLLOKOSA-N 2 0 270.417 1.504 10 0 CDAERP C[NH+](C)CC1CC[NH+](CC2(C[NH3+])CCOCC2)CC1 ZINC000052182721 524049136 /nfs/dbraw/zinc/04/91/36/524049136.db2.gz VNJYMOUPTBPLRZ-UHFFFAOYSA-N 3 0 269.433 1.016 10 0 CDAERP C[C@H](CC[NH+](C)C)[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000049557266 524165662 /nfs/dbraw/zinc/16/56/62/524165662.db2.gz VLCJWAGYIFWQSU-RISCZKNCSA-N 2 0 254.349 1.789 10 0 CDAERP C[C@@H]1CCC[C@@H]([N@@H+]2CCC[C@@H]2C(=O)N2CC[NH2+]CC2)[C@@H]1C ZINC000068632435 524302257 /nfs/dbraw/zinc/30/22/57/524302257.db2.gz IXRYXVAIMYEURK-KLHDSHLOSA-N 2 0 293.455 1.707 10 0 CDAERP C[C@@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)NCC[NH+]1CCCCC1 ZINC000055138387 524302660 /nfs/dbraw/zinc/30/26/60/524302660.db2.gz BGFDWEKFADJFMA-MGPQQGTHSA-N 2 0 267.417 1.352 10 0 CDAERP C[C@H]1C[C@H](C(=O)NCC(C)(C)[NH+](C)C)CC[C@@H]1[NH3+] ZINC000055141688 524867809 /nfs/dbraw/zinc/86/78/09/524867809.db2.gz VQLPSBRIBPNUSK-TUAOUCFPSA-N 2 0 255.406 1.206 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000156668478 525015092 /nfs/dbraw/zinc/01/50/92/525015092.db2.gz HWXROISDJRHNFP-QWHCGFSZSA-N 2 0 267.417 1.304 10 0 CDAERP C[C@@H]1C[C@@H](C(=O)NCCCC[NH+](C)C)CC[C@@H]1[NH3+] ZINC000055138935 525186924 /nfs/dbraw/zinc/18/69/24/525186924.db2.gz LMVFEQMHMHURRV-AGIUHOORSA-N 2 0 255.406 1.208 10 0 CDAERP C[C@@]1(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC[NH2+]C1 ZINC000261990653 525830017 /nfs/dbraw/zinc/83/00/17/525830017.db2.gz KGSMTNHCGGRVSN-GDBMZVCRSA-N 2 0 279.428 1.320 10 0 CDAERP [NH3+]CCN(CC[NH3+])c1ccnc2cc(Cl)ccc21 ZINC000061806751 527185101 /nfs/dbraw/zinc/18/51/01/527185101.db2.gz NHKRHVZYWSCUCB-UHFFFAOYSA-N 2 0 264.760 1.612 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@H](C(=O)NCC[NH+]2CCCCCC2)C1 ZINC000055161895 527215408 /nfs/dbraw/zinc/21/54/08/527215408.db2.gz WXHFUOMNFVXMOA-CABCVRRESA-N 2 0 281.444 1.744 10 0 CDAERP O=S1(=O)CCC[C@@H]([NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000069139461 527299064 /nfs/dbraw/zinc/29/90/64/527299064.db2.gz NGVUBSASPNIBPY-KGLIPLIRSA-N 2 0 286.441 1.028 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H](CC(=O)NCCC[NH+]2CCCC2)C1 ZINC000062073407 527350272 /nfs/dbraw/zinc/35/02/72/527350272.db2.gz XNWIWLSNOLBYDC-ZIAGYGMSSA-N 2 0 267.417 1.496 10 0 CDAERP [NH3+][C@@H]1CCC[C@H](C(=O)NCC[NH+]2CCCCCC2)C1 ZINC000055089297 527356223 /nfs/dbraw/zinc/35/62/23/527356223.db2.gz UOMYWMNMUQVSSU-UONOGXRCSA-N 2 0 267.417 1.496 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)C1 ZINC000417892744 528025533 /nfs/dbraw/zinc/02/55/33/528025533.db2.gz ROUGPDCOQCNHIC-ZNMIVQPWSA-N 2 0 296.459 1.262 10 0 CDAERP CC(C)[N@H+]1C[C@H](NC(=O)c2ccc(C[NH3+])cc2)[C@@H](C)C1 ZINC000186466269 535265146 /nfs/dbraw/zinc/26/51/46/535265146.db2.gz WTGHTJCRKLUJBP-WFASDCNBSA-N 2 0 275.396 1.604 10 0 CDAERP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261894124 535290148 /nfs/dbraw/zinc/29/01/48/535290148.db2.gz VNKRFMFQEWRMHF-BARDWOONSA-N 2 0 279.428 1.079 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N1C[C@@H]2CCC[NH+]2C[C@H]1C ZINC000245427819 535298849 /nfs/dbraw/zinc/29/88/49/535298849.db2.gz IBPWGUQMIZIPCM-CABCVRRESA-N 2 0 296.459 1.596 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000246712371 535484502 /nfs/dbraw/zinc/48/45/02/535484502.db2.gz ZZIRJHGDGURQBW-CABCVRRESA-N 2 0 294.443 1.350 10 0 CDAERP CC[NH+](CC)CCNC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000416806265 535536689 /nfs/dbraw/zinc/53/66/89/535536689.db2.gz ZHKLSKUYTZIWAR-AWEZNQCLSA-N 2 0 278.400 1.327 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CC(C)(C)[C@@H](O)C(C)C ZINC000423002524 536593899 /nfs/dbraw/zinc/59/38/99/536593899.db2.gz JKQDGOIYQGVCFC-OLZOCXBDSA-N 2 0 260.422 1.373 10 0 CDAERP COCCOc1cccc(C[NH2+][C@@H](C)C2C[NH2+]C2)c1 ZINC000422900097 536718261 /nfs/dbraw/zinc/71/82/61/536718261.db2.gz PVIHNVNLYWUIPY-LBPRGKRZSA-N 2 0 264.369 1.409 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCn1cnc2ccccc21 ZINC000422754482 536850772 /nfs/dbraw/zinc/85/07/72/536850772.db2.gz FYTRVVWHJYNVGN-ZDUSSCGKSA-N 2 0 276.384 1.380 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@H]1C[C@@H]([NH2+]CCCF)C1 ZINC001691757957 1174454346 /nfs/dbraw/zinc/45/43/46/1174454346.db2.gz OVOGAORZRJJLCS-NMWPEEMBSA-N 2 0 299.434 1.703 10 0 CDAERP C(CC[NH+]1CCOCC1)C[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000348076492 538172478 /nfs/dbraw/zinc/17/24/78/538172478.db2.gz DKBPQWZGYPWMGU-HUUCEWRRSA-N 2 0 252.402 1.877 10 0 CDAERP C[C@@H]1CN(C)C[C@@H]1[NH2+]CCc1ccc(Cl)nc1 ZINC000760703119 576503298 /nfs/dbraw/zinc/50/32/98/576503298.db2.gz XGYFUFXRXLXIEL-PWSUYJOCSA-N 2 0 253.777 1.817 10 0 CDAERP CCOC(=O)[C@H]1C[NH2+]CC12CC[NH+](C1CC1)CC2 ZINC000757183796 577034331 /nfs/dbraw/zinc/03/43/31/577034331.db2.gz GUOPQKTUPRWCAJ-GFCCVEGCSA-N 2 0 252.358 1.014 10 0 CDAERP C[C@@H](CNC(=O)N(C)CCC[NH+](C)C)[NH+]1CCCCC1 ZINC000758386714 577103839 /nfs/dbraw/zinc/10/38/39/577103839.db2.gz HATCPFQUGLNSDQ-AWEZNQCLSA-N 2 0 284.448 1.454 10 0 CDAERP CC(C)C[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001690015063 1175345668 /nfs/dbraw/zinc/34/56/68/1175345668.db2.gz ZDJBFCKPOUQACR-AWEZNQCLSA-N 2 0 281.444 1.565 10 0 CDAERP C[NH+]1CCC2(CC1)[NH2+]CC(C)(C)[C@]1(CCOC1)O2 ZINC000757147051 617318268 /nfs/dbraw/zinc/31/82/68/617318268.db2.gz RUUOYFHZLBDYNL-CYBMUJFWSA-N 2 0 254.374 1.213 10 0 CDAERP CC(C)C(=O)NCC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925509358 617401660 /nfs/dbraw/zinc/40/16/60/617401660.db2.gz MDRNRRHIAVHWNT-AGIUHOORSA-N 2 0 267.417 1.125 10 0 CDAERP CC1(C)C[C@@H]([NH2+]C[C@@H](O)COc2ccccc2)C[C@@H]([NH3+])C1 ZINC000925532150 617464891 /nfs/dbraw/zinc/46/48/91/617464891.db2.gz DGOZVESGBDMTLU-QLFBSQMISA-N 2 0 292.423 1.922 10 0 CDAERP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccnnc1 ZINC000926203206 617516913 /nfs/dbraw/zinc/51/69/13/617516913.db2.gz VWSBTERWWUMGCC-KBPBESRZSA-N 2 0 277.416 1.153 10 0 CDAERP C[NH+](C)CCN1CCC([NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925608098 617550091 /nfs/dbraw/zinc/55/00/91/617550091.db2.gz YQUFJMWDFHOYNK-GDBMZVCRSA-N 3 0 296.503 1.508 10 0 CDAERP C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000930910630 617564730 /nfs/dbraw/zinc/56/47/30/617564730.db2.gz ZNYMIXMEOOWMCX-MQYQWHSLSA-N 2 0 267.417 1.445 10 0 CDAERP FCC1(C[NH2+][C@@H]2CC[NH2+]C23CCC3)CCOCC1 ZINC000925683069 617663818 /nfs/dbraw/zinc/66/38/18/617663818.db2.gz KESOACNQIJUJFX-GFCCVEGCSA-N 2 0 256.365 1.627 10 0 CDAERP CC1(C)[C@@H](NC[C@@H]2CCCC[NH2+]2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925690810 617695413 /nfs/dbraw/zinc/69/54/13/617695413.db2.gz HTTKTKHUJBGZKA-CRWXNKLISA-N 2 0 251.418 1.495 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000925796938 617724306 /nfs/dbraw/zinc/72/43/06/617724306.db2.gz MIVVXDOHFKCSNM-YIYPIFLZSA-N 2 0 288.457 1.177 10 0 CDAERP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC1CCC(S(C)(=O)=O)CC1 ZINC000925799643 617731336 /nfs/dbraw/zinc/73/13/36/617731336.db2.gz ADSXJLPLWQPFCX-OKZRHMCRSA-N 2 0 276.446 1.305 10 0 CDAERP CC[NH2+][C@H](C)CN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925699672 617740682 /nfs/dbraw/zinc/74/06/82/617740682.db2.gz LNWAWCKJNULDAW-YUELXQCFSA-N 2 0 253.434 1.742 10 0 CDAERP CC(C)O[C@@H]1C[C@H]([NH2+]CCN2CCC([NH3+])CC2)C1(C)C ZINC000925811981 617754929 /nfs/dbraw/zinc/75/49/29/617754929.db2.gz LPHAFGYXZFPRKG-LSDHHAIUSA-N 2 0 283.460 1.591 10 0 CDAERP CC1(C)[C@@H]([NH2+]CCO[C@@H]2CC2(F)F)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925712159 617811749 /nfs/dbraw/zinc/81/17/49/617811749.db2.gz PNXXXLJKBNUARR-WYUUTHIRSA-N 2 0 274.355 1.777 10 0 CDAERP C[C@@H]1CCNC[C@@H]1[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925883329 617967435 /nfs/dbraw/zinc/96/74/35/617967435.db2.gz XWGFHWLTOQARKN-SIXLDLHFSA-N 2 0 273.424 1.633 10 0 CDAERP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CCC2(OC)OC)CC1 ZINC000924948373 618369383 /nfs/dbraw/zinc/36/93/83/618369383.db2.gz CPRUQWBDYBJDHN-GJZGRUSLSA-N 2 0 299.459 1.001 10 0 CDAERP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)S2)CN1CC[NH+](C)CC1 ZINC000924950347 618373808 /nfs/dbraw/zinc/37/38/08/618373808.db2.gz OKSFMZPBNNCDEX-HNSVSWJLSA-N 2 0 297.512 1.886 10 0 CDAERP C[C@H](C[NH2+][C@@H](C1CC1)[C@H]1CCCOC1)N1CC[NH+](C)CC1 ZINC000924963474 618454766 /nfs/dbraw/zinc/45/47/66/618454766.db2.gz FLCPFNZOHFHZRO-PVAVHDDUSA-N 2 0 295.471 1.417 10 0 CDAERP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000924995146 618568625 /nfs/dbraw/zinc/56/86/25/618568625.db2.gz XRQYXVMHCDGVKN-AVOUXACISA-N 2 0 283.485 1.639 10 0 CDAERP COC(=O)[C@@H]1[C@@H](C[NH2+]CC2(N(C)C)CCC2)C1(F)F ZINC000894532691 618944964 /nfs/dbraw/zinc/94/49/64/618944964.db2.gz DNXFHTMSLBLGAO-ZJUUUORDSA-N 2 0 276.327 1.115 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CC[NH+](C)[C@H]2C)C1 ZINC000928429914 618994881 /nfs/dbraw/zinc/99/48/81/618994881.db2.gz YPISDIXISSFVPE-MELADBBJSA-N 2 0 267.417 1.317 10 0 CDAERP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000894765408 619051794 /nfs/dbraw/zinc/05/17/94/619051794.db2.gz HRGQVNFHQZXZKF-BFHYXJOUSA-N 2 0 268.401 1.648 10 0 CDAERP CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+]1CCCCC1 ZINC000928444179 619090333 /nfs/dbraw/zinc/09/03/33/619090333.db2.gz JRIOHSAMMIAKJS-RBSFLKMASA-N 2 0 281.444 1.706 10 0 CDAERP C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000928550951 619348771 /nfs/dbraw/zinc/34/87/71/619348771.db2.gz JRMHVVNQMADHON-CQSZACIVSA-N 2 0 286.379 1.725 10 0 CDAERP C[N@@H+]1CC[C@H]1CNC(=O)C[C@H](n1ccnc1)C(F)(F)F ZINC000928552178 619351200 /nfs/dbraw/zinc/35/12/00/619351200.db2.gz INUIAXWRNBFUQK-UWVGGRQHSA-N 2 0 290.289 1.197 10 0 CDAERP CC1CC[NH+](CCCNC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC000895490453 619692959 /nfs/dbraw/zinc/69/29/59/619692959.db2.gz PJRIHVPKLZZZFO-KRWDZBQOSA-N 2 0 293.455 1.711 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=[NH2+])NCCC1CC1 ZINC000864454027 620922592 /nfs/dbraw/zinc/92/25/92/620922592.db2.gz RRWCETLDJVAVCU-LBPRGKRZSA-N 2 0 252.406 1.775 10 0 CDAERP C1[C@@H]2[C@H]1[C@@H]1O[C@H]2C[C@H]1[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000897814382 621116594 /nfs/dbraw/zinc/11/65/94/621116594.db2.gz RQFTXJRNJHFXJW-RDGWLKQMSA-N 2 0 278.396 1.005 10 0 CDAERP c1cc(C[NH2+][C@@H]2COC[C@@H]2C2CC2)n(-c2cc[nH+]cc2)n1 ZINC000898374953 621520652 /nfs/dbraw/zinc/52/06/52/621520652.db2.gz AYHGBXSQLKVUPG-HZPDHXFCSA-N 2 0 284.363 1.782 10 0 CDAERP C[NH+](C)C[C@@H]1CN(C(=O)C2(C3CC3)CC2)C[C@H]1C[NH+](C)C ZINC000899157078 622077717 /nfs/dbraw/zinc/07/77/17/622077717.db2.gz CNRCOXCCZVFHAF-ZIAGYGMSSA-N 2 0 293.455 1.374 10 0 CDAERP COC1CC[NH+](CCNC(=[NH2+])N[C@H](C)C2CC2)CC1 ZINC000899266783 622130719 /nfs/dbraw/zinc/13/07/19/622130719.db2.gz FGZMCVKVDUOEGE-LLVKDONJSA-N 2 0 268.405 1.010 10 0 CDAERP C[C@H](NC(=[NH2+])NCC[C@@H]1CCC[N@H+](C)C1)C1CC1 ZINC000899272885 622138436 /nfs/dbraw/zinc/13/84/36/622138436.db2.gz QQSJXPWRJJSLIO-RYUDHWBXSA-N 2 0 252.406 1.631 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC(C(=O)N3CCCCC3)CC2)C1 ZINC000903427377 625989189 /nfs/dbraw/zinc/98/91/89/625989189.db2.gz XSURLXGDGPETPR-GOEBONIOSA-N 2 0 293.455 1.838 10 0 CDAERP Cc1cc(C2CC[NH+](C[C@@H]3C[NH2+]C[C@H]3C)CC2)[nH]n1 ZINC000903457584 625994003 /nfs/dbraw/zinc/99/40/03/625994003.db2.gz XOZVSHCZUQKZMH-RISCZKNCSA-N 2 0 262.401 1.753 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000903460031 625995467 /nfs/dbraw/zinc/99/54/67/625995467.db2.gz UVSLBUFEFYCMCU-SYAUCNOPSA-N 3 0 281.444 1.060 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000903461864 625996191 /nfs/dbraw/zinc/99/61/91/625996191.db2.gz YXHBOZZKGYYBDH-KBXIAJHMSA-N 2 0 252.402 1.733 10 0 CDAERP CC[C@@H]1C(=O)N(CC)CC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903463813 625996206 /nfs/dbraw/zinc/99/62/06/625996206.db2.gz OIPHGJPBSHJGMV-FRRDWIJNSA-N 2 0 253.390 1.057 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000903442469 625997236 /nfs/dbraw/zinc/99/72/36/625997236.db2.gz RVDKITYSNUXPKT-OWCLPIDISA-N 2 0 265.445 1.792 10 0 CDAERP Cc1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c(C)nn1 ZINC000903452224 626000827 /nfs/dbraw/zinc/00/08/27/626000827.db2.gz JOQFCIORKBAJQL-UHFFFAOYSA-N 2 0 260.385 1.669 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000903457470 626002825 /nfs/dbraw/zinc/00/28/25/626002825.db2.gz UFXVQACHXADBKP-AESZEHBQSA-N 2 0 277.456 1.791 10 0 CDAERP C(C[NH2+][C@@H]1CC[NH2+]C12CCC2)CO[C@H]1CCOC1 ZINC000903470323 626003732 /nfs/dbraw/zinc/00/37/32/626003732.db2.gz KYAXVFMNOOUEEM-QWHCGFSZSA-N 2 0 254.374 1.056 10 0 CDAERP CC(C)N1CCC[C@H]([N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)C1=O ZINC000903496740 626012206 /nfs/dbraw/zinc/01/22/06/626012206.db2.gz BBWQJRSTUWEPGR-MCIONIFRSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@@]1(C2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)COC(=O)N1 ZINC000903564002 626020419 /nfs/dbraw/zinc/02/04/19/626020419.db2.gz NJHPKMVEJRKGMA-DOMZBBRYSA-N 2 0 281.400 1.197 10 0 CDAERP C([C@@H]1C[C@@H]2COC[C@H]2O1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000903750106 626072472 /nfs/dbraw/zinc/07/24/72/626072472.db2.gz UVMIKRALMVUVRE-XUWVNRHRSA-N 2 0 280.412 1.112 10 0 CDAERP C(C1CC1)[C@@H]1COCC[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903788282 626095141 /nfs/dbraw/zinc/09/51/41/626095141.db2.gz HOCVWJCHQKESRH-CVEARBPZSA-N 2 0 294.439 1.646 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@H+]2C[C@H](C)C[C@H](C)C2)cnn1C ZINC000903872073 626126665 /nfs/dbraw/zinc/12/66/65/626126665.db2.gz CNUYQZLHGUBPQC-GUTXKFCHSA-N 2 0 278.444 1.824 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCCC[C@H]2C)cnn1C ZINC000903872525 626127144 /nfs/dbraw/zinc/12/71/44/626127144.db2.gz GFHQTUBHGSFGIJ-OCCSQVGLSA-N 2 0 264.417 1.720 10 0 CDAERP CC[N@H+](C[C@@H](C[NH3+])Cc1cnn(C)c1C)C[C@@H]1CCOC1 ZINC000903883980 626132167 /nfs/dbraw/zinc/13/21/67/626132167.db2.gz NOLTWWVJRZZZCL-LSDHHAIUSA-N 2 0 294.443 1.204 10 0 CDAERP CCC(C)(C)C[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903927900 626150090 /nfs/dbraw/zinc/15/00/90/626150090.db2.gz VBPQIZARXXXMOF-GFCCVEGCSA-N 2 0 265.405 1.728 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[NH2+][C@@]2(C)CC=CCC2)cnn1C ZINC000903929274 626150116 /nfs/dbraw/zinc/15/01/16/626150116.db2.gz CWVYEVFFIOBAPU-HOCLYGCPSA-N 2 0 276.428 1.934 10 0 CDAERP C[N@H+](CCN1CCCCC1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903931993 626151495 /nfs/dbraw/zinc/15/14/95/626151495.db2.gz KWZRBODHURJXRX-MQVJKMGUSA-N 2 0 265.445 1.935 10 0 CDAERP COC[C@H]([NH2+][C@H]1CCC[NH2+]CC1)[C@H]1CCCOC1 ZINC000903959426 626159574 /nfs/dbraw/zinc/15/95/74/626159574.db2.gz HWVHNTXFDILKJQ-IHRRRGAJSA-N 2 0 256.390 1.160 10 0 CDAERP COC(=O)[C@]12CCC[C@H]1C[N@H+](C[C@]1(C)CC[NH2+]C1)C2 ZINC000903940161 626161513 /nfs/dbraw/zinc/16/15/13/626161513.db2.gz YXCLTLGNPFZXKC-CFVMTHIKSA-N 2 0 266.385 1.261 10 0 CDAERP CN(CCCC[NH+]1CCCCC1)CC12CC(C1)C[NH2+]2 ZINC000903947670 626164148 /nfs/dbraw/zinc/16/41/48/626164148.db2.gz DRBNQIWAJITHGH-UHFFFAOYSA-N 2 0 265.445 1.936 10 0 CDAERP COc1cc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc(OC)c1O ZINC000903978860 626170372 /nfs/dbraw/zinc/17/03/72/626170372.db2.gz YXBSQWLTSPFGNM-DGCLKSJQSA-N 2 0 294.395 1.826 10 0 CDAERP CC[NH+](CC)CCNC(=[NH2+])NC[C@H]1CCCS1 ZINC000905041557 626380891 /nfs/dbraw/zinc/38/08/91/626380891.db2.gz KFSGQBPBEDAENN-LLVKDONJSA-N 2 0 258.435 1.338 10 0 CDAERP [NH2+]=C(NCC[NH+]1CCCCC1)NC[C@@H]1CCCS1 ZINC000905042218 626381823 /nfs/dbraw/zinc/38/18/23/626381823.db2.gz OGPQMJYCYYQLHC-LBPRGKRZSA-N 2 0 270.446 1.482 10 0 CDAERP C1C[C@H]2CC(c3noc([C@H]4[C@@H]5CC[NH2+]C[C@@H]54)n3)C[C@@H]1[NH2+]2 ZINC000905311457 626743131 /nfs/dbraw/zinc/74/31/31/626743131.db2.gz ZWDQVOXKLKKOHX-FBFDBBHMSA-N 2 0 274.368 1.391 10 0 CDAERP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)C3(O)CCCC3)CC[C@@H]21 ZINC000905941011 627053769 /nfs/dbraw/zinc/05/37/69/627053769.db2.gz SNNZCFTZOAWIDO-QLFBSQMISA-N 2 0 282.428 1.069 10 0 CDAERP C[NH2+]Cc1ncc(-c2ccc(C[NH+](C)C)cc2)cn1 ZINC000906159533 627129873 /nfs/dbraw/zinc/12/98/73/627129873.db2.gz SBLGBSVSKMJHJT-UHFFFAOYSA-N 2 0 256.353 1.925 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)[NH+](C)C ZINC000911559864 629322240 /nfs/dbraw/zinc/32/22/40/629322240.db2.gz PRYNLAZAGRJRHH-RWMBFGLXSA-N 2 0 253.390 1.070 10 0 CDAERP C[C@H]1[C@H](NC(=O)NCC2([NH+](C)C)CCCC2)CC[N@@H+]1C ZINC000913875658 630858333 /nfs/dbraw/zinc/85/83/33/630858333.db2.gz XKRSEBQORXCHNQ-QWHCGFSZSA-N 2 0 282.432 1.253 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H](O)c1c(F)cccc1F ZINC000925457634 632466851 /nfs/dbraw/zinc/46/68/51/632466851.db2.gz UUBFUJHIMSRDEJ-RBVVLIMLSA-N 2 0 296.361 1.928 10 0 CDAERP CCN(CC)C(=O)C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925476823 632718805 /nfs/dbraw/zinc/71/88/05/632718805.db2.gz YOFPUYYZANPBGZ-NEPJUHHUSA-N 2 0 255.406 1.350 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=S)NC1CC[NH+](C)CC1 ZINC000920309783 632751035 /nfs/dbraw/zinc/75/10/35/632751035.db2.gz OPEOTLBEBGNPNV-CYBMUJFWSA-N 2 0 298.500 1.419 10 0 CDAERP CN(CC[NH2+]CCF)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001266741260 1158797016 /nfs/dbraw/zinc/79/70/16/1158797016.db2.gz ORFBLUZOHVDEHC-STQMWFEESA-N 2 0 271.380 1.021 10 0 CDAERP CC/C=C/CC[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001480878750 1158559604 /nfs/dbraw/zinc/55/96/04/1158559604.db2.gz HXSLBLBLBLFEKO-LLYBFZRZSA-N 2 0 281.444 1.875 10 0 CDAERP CC(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001670454284 1158609578 /nfs/dbraw/zinc/60/95/78/1158609578.db2.gz AQFWDQXHLSUZRU-KGLIPLIRSA-N 2 0 267.417 1.221 10 0 CDAERP CCCC[NH2+]C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001670545721 1158635140 /nfs/dbraw/zinc/63/51/40/1158635140.db2.gz YJMCEKTWYDAHMK-ZFWWWQNUSA-N 2 0 281.444 1.613 10 0 CDAERP CC[NH2+]CC[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001732284480 1159775106 /nfs/dbraw/zinc/77/51/06/1159775106.db2.gz KFSJGEIDCPBSAO-CQSZACIVSA-N 2 0 279.428 1.320 10 0 CDAERP C[C@H](C[NH2+]C/C=C\Cl)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001732434864 1160578535 /nfs/dbraw/zinc/57/85/35/1160578535.db2.gz AWNJZRDZWVVNQS-VVEJJEBESA-N 2 0 287.835 1.517 10 0 CDAERP C[N@H+](CCCCCC[NH3+])CCCN1C(=O)NC(C)(C)C1=O ZINC000872155292 1165388931 /nfs/dbraw/zinc/38/89/31/1165388931.db2.gz QNUKWTNHGOVCIE-UHFFFAOYSA-N 2 0 298.431 1.158 10 0 CDAERP CC[C@@H]1C[N@H+](C)CCCN1C(=O)[C@H](C)CC[NH+](C)C ZINC001618488644 1165634212 /nfs/dbraw/zinc/63/42/12/1165634212.db2.gz LICAFNCMZMGMRZ-ZIAGYGMSSA-N 2 0 269.433 1.517 10 0 CDAERP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001646083875 1167639721 /nfs/dbraw/zinc/63/97/21/1167639721.db2.gz SZQKJJHQCDUPPC-YESZJQIVSA-N 2 0 299.418 1.507 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC001646285789 1167747497 /nfs/dbraw/zinc/74/74/97/1167747497.db2.gz PJSIPPLETFUQCZ-IHRRRGAJSA-N 2 0 282.432 1.205 10 0 CDAERP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)[C@H]2C1 ZINC001649358813 1169238121 /nfs/dbraw/zinc/23/81/21/1169238121.db2.gz ITXMZTUOOZRZGK-QXKUPLGCSA-N 2 0 291.439 1.460 10 0 CDAERP CCC[NH2+]C/C=C/CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001568919444 1169548004 /nfs/dbraw/zinc/54/80/04/1169548004.db2.gz AXKFSPIJCZCGLO-IHVVCDCBSA-N 2 0 253.390 1.000 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH2+]CC1CC(C)C1 ZINC001569269768 1169742680 /nfs/dbraw/zinc/74/26/80/1169742680.db2.gz DGMPUZKMSPQRQY-UHFFFAOYSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CCC[NH2+]CC1CC1 ZINC001569268642 1169742766 /nfs/dbraw/zinc/74/27/66/1169742766.db2.gz HSNCPDPCBGPURL-KBPBESRZSA-N 2 0 281.444 1.707 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)C1C[NH+](CCC(C)C)C1 ZINC001569505132 1169904165 /nfs/dbraw/zinc/90/41/65/1169904165.db2.gz ZZERPKAZFLHAJS-UHFFFAOYSA-N 2 0 269.433 1.517 10 0 CDAERP CCOCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001570397977 1170152057 /nfs/dbraw/zinc/15/20/57/1170152057.db2.gz SGXZEUGFXXFNHY-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)(C(=O)NC1CC(C[NH2+]CCCF)C1)[NH+]1CCCC1 ZINC001570568044 1170192115 /nfs/dbraw/zinc/19/21/15/1170192115.db2.gz DAMIRTUUEFOKIC-UHFFFAOYSA-N 2 0 299.434 1.705 10 0 CDAERP CCCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001571192318 1170345245 /nfs/dbraw/zinc/34/52/45/1170345245.db2.gz JYLXVLCAZKEJCR-KKUMJFAQSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@H]1CN(C(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1C1CCCC1 ZINC001650598103 1171223658 /nfs/dbraw/zinc/22/36/58/1171223658.db2.gz ZEFIYMOPOKGZMW-ZFWWWQNUSA-N 2 0 279.428 1.556 10 0 CDAERP CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC=C(C)C)C1)[NH+](C)C ZINC001656235695 1171798072 /nfs/dbraw/zinc/79/80/72/1171798072.db2.gz ZDAFPGWNXZAVFH-KKUMJFAQSA-N 2 0 281.444 1.777 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001663119884 1172636866 /nfs/dbraw/zinc/63/68/66/1172636866.db2.gz ONAIQSGDNFZOKG-CQSZACIVSA-N 2 0 279.428 1.463 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001666668133 1173169252 /nfs/dbraw/zinc/16/92/52/1173169252.db2.gz ZVIWXKMMOJMLJT-QWHCGFSZSA-N 2 0 273.396 1.172 10 0 CDAERP C[C@H](CC[NH2+]Cc1ccccn1)NC(=O)CC[NH+](C)C ZINC001668197265 1173380997 /nfs/dbraw/zinc/38/09/97/1173380997.db2.gz OFPXHRDGRCTGOX-CYBMUJFWSA-N 2 0 278.400 1.018 10 0 CDAERP CN(CCC[NH2+]C/C=C\Cl)C(=O)C12CCC[NH+]1CCC2 ZINC001670162495 1173658689 /nfs/dbraw/zinc/65/86/89/1173658689.db2.gz XCCQAZXACXEORW-YWEYNIOJSA-N 2 0 299.846 1.805 10 0 CDAERP CN(CCC[NH2+]CC[C@@H]1CCCO1)C(=O)C[NH+]1CCCC1 ZINC001670344969 1173672794 /nfs/dbraw/zinc/67/27/94/1173672794.db2.gz LZBSNJGXVDDNQW-HNNXBMFYSA-N 2 0 297.443 1.089 10 0 CDAERP CCC[NH2+]CCCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001670353295 1173675475 /nfs/dbraw/zinc/67/54/75/1173675475.db2.gz UWRVEMZKPGZWIX-OKILXGFUSA-N 2 0 269.433 1.707 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](C[NH2+]CCCF)C2)C1 ZINC001690422824 1175467332 /nfs/dbraw/zinc/46/73/32/1175467332.db2.gz BHGZDBJOOHRGPX-HUUCEWRRSA-N 2 0 299.434 1.516 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH2+]CCF)C2)CC[N@@H+]1C ZINC001690708590 1175552986 /nfs/dbraw/zinc/55/29/86/1175552986.db2.gz UNEDMMVIBGIRCA-HZSPNIEDSA-N 2 0 285.407 1.124 10 0 CDAERP COCCC[N@@H+]1CC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001698551800 1175835560 /nfs/dbraw/zinc/83/55/60/1175835560.db2.gz NSJKLFBVIFFQAZ-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CC[NH2+]CC[C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001698683572 1175894295 /nfs/dbraw/zinc/89/42/95/1175894295.db2.gz QPMOEVSQSQXFIW-HUUCEWRRSA-N 2 0 281.444 1.566 10 0 CDAERP C[C@H](CNC(=O)CC[NH+]1CCCCC1)C[NH2+]CCF ZINC001698778469 1175929003 /nfs/dbraw/zinc/92/90/03/1175929003.db2.gz QHEBKSIOHIDHEC-ZDUSSCGKSA-N 2 0 273.396 1.174 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCCO ZINC001698849559 1175962754 /nfs/dbraw/zinc/96/27/54/1175962754.db2.gz SGBWMLGQZVUXPQ-GJZGRUSLSA-N 2 0 299.459 1.068 10 0 CDAERP CC(C)CC[N@H+](C)CCN(C)C(=O)CC[NH+](C)C ZINC001698994780 1176024749 /nfs/dbraw/zinc/02/47/49/1176024749.db2.gz SQHYSONPDRWKCB-UHFFFAOYSA-N 2 0 257.422 1.374 10 0 CDAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC1CC1 ZINC001699099886 1176092599 /nfs/dbraw/zinc/09/25/99/1176092599.db2.gz NHBDXLIFOPBWBF-HIFRSBDPSA-N 2 0 281.444 1.754 10 0 CDAERP C[C@H](C[NH2+]CCC1CCCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001699385707 1176345016 /nfs/dbraw/zinc/34/50/16/1176345016.db2.gz WRZMBQNKBOGZIS-CQSZACIVSA-N 2 0 293.455 1.757 10 0 CDAERP CCC[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001699388715 1176348251 /nfs/dbraw/zinc/34/82/51/1176348251.db2.gz WLPFAWGTHVXCLU-KGLIPLIRSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)CC[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+](C)C(C)C ZINC001699767338 1176614340 /nfs/dbraw/zinc/61/43/40/1176614340.db2.gz PVHZUUNKZMRNGP-HNNXBMFYSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CCF)C1 ZINC001700063265 1176736995 /nfs/dbraw/zinc/73/69/95/1176736995.db2.gz YVTDIBHMFFDTAQ-HUUCEWRRSA-N 2 0 299.434 1.657 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](CC[NH2+]CCF)C2)C1 ZINC001700079697 1176741608 /nfs/dbraw/zinc/74/16/08/1176741608.db2.gz QNHTUKYMIBNNSJ-UONOGXRCSA-N 2 0 285.407 1.126 10 0 CDAERP O=C(N1CC[C@H](CC[NH2+]CCF)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC001700092433 1176745223 /nfs/dbraw/zinc/74/52/23/1176745223.db2.gz TVJXMZDKYLMATH-HOCLYGCPSA-N 2 0 297.418 1.270 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCOCC)[C@@H](C)C1 ZINC001700320541 1176848763 /nfs/dbraw/zinc/84/87/63/1176848763.db2.gz OWFOQTUKCLBLNH-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001700348608 1176861213 /nfs/dbraw/zinc/86/12/13/1176861213.db2.gz AKAIFHLDHMOZIE-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP CC1CC[NH+](CC(=O)NC2CC(C[NH2+]CCF)C2)CC1 ZINC001700380903 1176887278 /nfs/dbraw/zinc/88/72/78/1176887278.db2.gz YJYCFRHOIKZCRJ-UHFFFAOYSA-N 2 0 285.407 1.172 10 0 CDAERP CCC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001700882365 1177178134 /nfs/dbraw/zinc/17/81/34/1177178134.db2.gz MUFZAZMZNMVRRE-OLZOCXBDSA-N 2 0 255.406 1.317 10 0 CDAERP O=C(NCCC[N@@H+](CCF)C1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001707481980 1178074009 /nfs/dbraw/zinc/07/40/09/1178074009.db2.gz HYDOHPBQRWBWDD-OAHLLOKOSA-N 2 0 297.418 1.268 10 0 CDAERP CC(C)CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001723975336 1178136662 /nfs/dbraw/zinc/13/66/62/1178136662.db2.gz AAUJXVNKQUEMKH-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001713353084 1178515894 /nfs/dbraw/zinc/51/58/94/1178515894.db2.gz KZTYRGXKGDXAHC-ZDUSSCGKSA-N 2 0 255.406 1.176 10 0 CDAERP Cc1cc(C[NH2+]CCN(C)C(=O)C[NH+]2CCCC2)sn1 ZINC001713664412 1178701859 /nfs/dbraw/zinc/70/18/59/1178701859.db2.gz RHVBOMSWLKRAFE-UHFFFAOYSA-N 2 0 296.440 1.095 10 0 CDAERP CCCCC[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001713756167 1178739916 /nfs/dbraw/zinc/73/99/16/1178739916.db2.gz PSSHGXCGQHBLRJ-OAHLLOKOSA-N 2 0 283.460 1.909 10 0 CDAERP CC(C)=CC[NH+]1CC(CNC(=O)C[C@@H](C)n2ccnc2)C1 ZINC001713919647 1178846190 /nfs/dbraw/zinc/84/61/90/1178846190.db2.gz VGTIAXDLUXFGIW-CQSZACIVSA-N 2 0 290.411 1.848 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001714078123 1178964086 /nfs/dbraw/zinc/96/40/86/1178964086.db2.gz BNEKHLXOBMTEBF-HNNXBMFYSA-N 2 0 295.471 1.957 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001714269685 1179055235 /nfs/dbraw/zinc/05/52/35/1179055235.db2.gz HQZYXNYQIKVYSW-CHWSQXEVSA-N 2 0 269.433 1.469 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@H](C[NH2+]CCC(C)(C)C)C1 ZINC001714363738 1179106310 /nfs/dbraw/zinc/10/63/10/1179106310.db2.gz GDVWYJXMBYIQSG-CQSZACIVSA-N 2 0 283.460 1.812 10 0 CDAERP CC/C=C/CC[N@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001714599479 1179254663 /nfs/dbraw/zinc/25/46/63/1179254663.db2.gz ONNFDBQMAHUDRX-LQYUOIDQSA-N 2 0 281.444 1.733 10 0 CDAERP CN(CC[NH2+]CCCF)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001714725665 1179360084 /nfs/dbraw/zinc/36/00/84/1179360084.db2.gz XIKBFKGWXPHOFT-UONOGXRCSA-N 2 0 285.407 1.411 10 0 CDAERP CC[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC=C(C)C ZINC001715083080 1179543763 /nfs/dbraw/zinc/54/37/63/1179543763.db2.gz INBOJHUZLYSQPZ-GJZGRUSLSA-N 2 0 281.444 1.779 10 0 CDAERP CCOCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001715351335 1179637826 /nfs/dbraw/zinc/63/78/26/1179637826.db2.gz CTMJMMXUBUDEHJ-ZNMIVQPWSA-N 2 0 299.459 1.190 10 0 CDAERP CCCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001715983827 1179962883 /nfs/dbraw/zinc/96/28/83/1179962883.db2.gz SASMXBGXVDTLOF-QWHCGFSZSA-N 2 0 255.406 1.365 10 0 CDAERP C[C@H](CC[NH2+]CC1CC(C)(C)C1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001716196574 1180092395 /nfs/dbraw/zinc/09/23/95/1180092395.db2.gz SXHKKAJFNQSJML-UKRRQHHQSA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)C[NH2+]C[C@H](C)NC(=O)[C@H](C)Cc1c[nH]cn1 ZINC001716455803 1180221304 /nfs/dbraw/zinc/22/13/04/1180221304.db2.gz KZPPKXREGRTLAT-NEPJUHHUSA-N 2 0 266.389 1.339 10 0 CDAERP CCCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001716479958 1180242338 /nfs/dbraw/zinc/24/23/38/1180242338.db2.gz KDIOVERMXMTINK-GOEBONIOSA-N 2 0 295.471 1.955 10 0 CDAERP Cc1cnc(C[NH2+]CCCN(C)C(=O)C[NH+]2CCCC2)o1 ZINC001716585496 1180294797 /nfs/dbraw/zinc/29/47/97/1180294797.db2.gz OVVKUORNRHGASK-UHFFFAOYSA-N 2 0 294.399 1.017 10 0 CDAERP C[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CCC2CC2)C2CC2)CC1 ZINC001716620397 1180310099 /nfs/dbraw/zinc/31/00/99/1180310099.db2.gz PHURHPLBKRTMSO-INIZCTEOSA-N 2 0 293.455 1.613 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N1CCC[C@H]1C[NH2+]CCF ZINC001716777901 1180411693 /nfs/dbraw/zinc/41/16/93/1180411693.db2.gz ABWXZSLLAAWUQI-STQMWFEESA-N 2 0 291.386 1.216 10 0 CDAERP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C[NH2+]CCC1CC1 ZINC001716995676 1180496905 /nfs/dbraw/zinc/49/69/05/1180496905.db2.gz WBBYNGUNWISHGT-ZBFHGGJFSA-N 2 0 293.455 1.566 10 0 CDAERP CC(C)OCC[NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001717285644 1180604672 /nfs/dbraw/zinc/60/46/72/1180604672.db2.gz HVNJLOOCIREGHY-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP COCCCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001717292882 1180607125 /nfs/dbraw/zinc/60/71/25/1180607125.db2.gz CGIRIVAWZBEYIE-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP COCCC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001717460074 1180680576 /nfs/dbraw/zinc/68/05/76/1180680576.db2.gz YRKHUZUUAOFMOR-AWEZNQCLSA-N 2 0 299.459 1.049 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001717646707 1180772340 /nfs/dbraw/zinc/77/23/40/1180772340.db2.gz NWKZKIKTHBMNDS-SHTZXODSSA-N 2 0 281.444 1.779 10 0 CDAERP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCCC1CCC1 ZINC001717754531 1180831568 /nfs/dbraw/zinc/83/15/68/1180831568.db2.gz OSGXYLKQMCDKFG-GDBMZVCRSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001724841801 1181770523 /nfs/dbraw/zinc/77/05/23/1181770523.db2.gz IHBGGKAFLBRGHV-ZDUSSCGKSA-N 2 0 255.406 1.319 10 0 CDAERP COCCCC[N@H+](C)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001725181565 1181908845 /nfs/dbraw/zinc/90/88/45/1181908845.db2.gz XXHUWSCCUWRZCL-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001725478274 1182015326 /nfs/dbraw/zinc/01/53/26/1182015326.db2.gz LLMDTVBWVZWCCK-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[N@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)C1CC1 ZINC001731342955 1182329758 /nfs/dbraw/zinc/32/97/58/1182329758.db2.gz SNKQKYKFPCBWSR-CQSZACIVSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H](O)C[N@@H+]1CCCC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001731543509 1182443697 /nfs/dbraw/zinc/44/36/97/1182443697.db2.gz SNJFPWFXUCJSRX-GJZGRUSLSA-N 2 0 299.459 1.070 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001731618892 1182482316 /nfs/dbraw/zinc/48/23/16/1182482316.db2.gz UBZUSMDCFHFBAW-ZIAGYGMSSA-N 2 0 267.417 1.389 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001731683588 1182516535 /nfs/dbraw/zinc/51/65/35/1182516535.db2.gz BPJBFCAGCNQRIB-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001731859442 1182633261 /nfs/dbraw/zinc/63/32/61/1182633261.db2.gz FCSKCGLQZRUCRH-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H](C[NH2+]C/C=C/Cl)N(C)C(=O)CC[NH+](C)C ZINC001732438748 1182966439 /nfs/dbraw/zinc/96/64/39/1182966439.db2.gz XNDRJFWBOGFBHZ-OKPNEXGHSA-N 2 0 261.797 1.127 10 0 CDAERP CCN(CC[NH2+]C/C=C/Cl)C(=O)C1([NH+](C)C)CCC1 ZINC001732779100 1183122403 /nfs/dbraw/zinc/12/24/03/1183122403.db2.gz JSGVGMUBWSMEOS-RMKNXTFCSA-N 2 0 287.835 1.661 10 0 CDAERP CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001732908957 1183180858 /nfs/dbraw/zinc/18/08/58/1183180858.db2.gz JJDXOZYEZGXORG-CGXNLCPXSA-N 2 0 279.428 1.675 10 0 CDAERP C[C@@H](C[NH2+]C/C=C\Cl)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001732996485 1183229096 /nfs/dbraw/zinc/22/90/96/1183229096.db2.gz YFDNUSNRXHYHQU-VYTAFLBXSA-N 2 0 273.808 1.173 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001733212299 1183339686 /nfs/dbraw/zinc/33/96/86/1183339686.db2.gz WEVBQQGWRDKGMM-ONILBQQISA-N 2 0 293.455 1.873 10 0 CDAERP CC[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001733265234 1183376986 /nfs/dbraw/zinc/37/69/86/1183376986.db2.gz PQTASTNNUPVXTP-CYBMUJFWSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)[N@@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001733300752 1183385426 /nfs/dbraw/zinc/38/54/26/1183385426.db2.gz QKAYWEQBDPAMNT-HNNXBMFYSA-N 2 0 267.417 1.271 10 0 CDAERP CC[N@@H+]1CCC[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001733463397 1183438942 /nfs/dbraw/zinc/43/89/42/1183438942.db2.gz OGFAVCINCVCQPY-AWEZNQCLSA-N 2 0 255.406 1.176 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH+](C)CC)C1 ZINC001734050813 1183635659 /nfs/dbraw/zinc/63/56/59/1183635659.db2.gz HRFXVFRFEMIJMU-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP CC[NH+]1CC([C@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001734116662 1183665244 /nfs/dbraw/zinc/66/52/44/1183665244.db2.gz HQWASCWNUBONSJ-GXTWGEPZSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@@H]1CCOCC[N@@H+]1C[C@@H](O)CN(C)Cc1ccccc1 ZINC000305772428 1186652459 /nfs/dbraw/zinc/65/24/59/1186652459.db2.gz LAEKMRWDPWFLJZ-WBVHZDCISA-N 2 0 292.423 1.590 10 0 CDAERP CO[C@@H](C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)C1CCCC1 ZINC000923516172 726289884 /nfs/dbraw/zinc/28/98/84/726289884.db2.gz TXJKDUNWBHDGFD-ZNMIVQPWSA-N 2 0 252.402 1.733 10 0 CDAERP CCC[C@H](O)C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925483662 726942797 /nfs/dbraw/zinc/94/27/97/726942797.db2.gz WXHLDARVYMOMHC-ZNMIVQPWSA-N 2 0 254.418 1.905 10 0 CDAERP COC1CC(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000925714772 727113997 /nfs/dbraw/zinc/11/39/97/727113997.db2.gz WKKXFSWTVMQSBC-RJGDLWOPSA-N 2 0 250.386 1.388 10 0 CDAERP [NH3+]CC1(CC[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)CC1 ZINC000925701832 726012036 /nfs/dbraw/zinc/01/20/36/726012036.db2.gz GMTWFTFYSJJWTJ-MELADBBJSA-N 2 0 252.402 1.910 10 0 CDAERP Cn1nnc2c1C[C@H]([NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)CC2 ZINC000925892938 726015287 /nfs/dbraw/zinc/01/52/87/726015287.db2.gz ICZDLXLALLAZIV-TUAOUCFPSA-N 2 0 277.416 1.168 10 0 CDAERP Cn1cc(C[C@H]2CCC[C@H]2[NH2+]CCC[NH2+]C2CC2)cn1 ZINC000923390566 726015371 /nfs/dbraw/zinc/01/53/71/726015371.db2.gz SZMMQOBOGQFECH-GDBMZVCRSA-N 2 0 276.428 1.863 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+][C@H](CC(N)=O)C2CCOCC2)CC1(C)C ZINC000858154667 726017509 /nfs/dbraw/zinc/01/75/09/726017509.db2.gz OLNGODRITDDXRX-ZIAGYGMSSA-N 2 0 297.443 1.119 10 0 CDAERP C[C@H]([NH2+][C@H]1CCCN2CCSC[C@H]12)C1CC[NH+](C)CC1 ZINC000718449603 726023964 /nfs/dbraw/zinc/02/39/64/726023964.db2.gz MQSZBEYMPXSNMS-CWRNSKLLSA-N 2 0 297.512 1.886 10 0 CDAERP Cc1nccn1CCCC[N@@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000879364173 726037191 /nfs/dbraw/zinc/03/71/91/726037191.db2.gz NRYRVNVINWMTIY-LSDHHAIUSA-N 2 0 281.400 1.037 10 0 CDAERP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@@H]1CC2(CO1)CCOCC2 ZINC000712604908 726081522 /nfs/dbraw/zinc/08/15/22/726081522.db2.gz PSXLXVRJZNBJMI-LSDHHAIUSA-N 2 0 284.444 1.877 10 0 CDAERP CC(C)[C@H]([NH3+])CN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925689478 726086868 /nfs/dbraw/zinc/08/68/68/726086868.db2.gz AMFFOABCSCQHEG-KFWWJZLASA-N 2 0 253.434 1.728 10 0 CDAERP CS(=O)(=O)CCCCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925641970 726095622 /nfs/dbraw/zinc/09/56/22/726095622.db2.gz DTOXZGFPWQQVFA-NWDGAFQWSA-N 2 0 274.430 1.061 10 0 CDAERP C[C@@H](CN[C@@H]1CC[NH2+]C12CCC2)C[NH+]1CCCCC1 ZINC000925484749 726109752 /nfs/dbraw/zinc/10/97/52/726109752.db2.gz JJABTYCWDVOMGK-LSDHHAIUSA-N 2 0 265.445 1.983 10 0 CDAERP CC1(C)C[NH2+]CC[C@@H](NC(=O)C=C2CC[NH2+]CC2)C1 ZINC000872276124 726179536 /nfs/dbraw/zinc/17/95/36/726179536.db2.gz UVOJGABYTLTFSS-CYBMUJFWSA-N 2 0 265.401 1.191 10 0 CDAERP COC(=O)N(C)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000850548313 726188647 /nfs/dbraw/zinc/18/86/47/726188647.db2.gz OCLRWDIWMFTCOG-JHJVBQTASA-N 2 0 269.389 1.147 10 0 CDAERP C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000720879334 726221104 /nfs/dbraw/zinc/22/11/04/726221104.db2.gz JBYONECVYJNAMF-GRYCIOLGSA-N 2 0 253.390 1.055 10 0 CDAERP [NH3+]C[C@H]1CN(CCC[NH+]2CCCCC2)C[C@@H]1C(F)(F)F ZINC000720809240 726223136 /nfs/dbraw/zinc/22/31/36/726223136.db2.gz FWHTUHIDRQBJPQ-STQMWFEESA-N 2 0 293.377 1.931 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCC2(CCC2)CO1 ZINC000716610433 726230179 /nfs/dbraw/zinc/23/01/79/726230179.db2.gz WOYZXHRBEXHBCW-KBPBESRZSA-N 2 0 270.417 1.679 10 0 CDAERP C[N@H+](CCCO)C1CC[NH+](CC2(O)CCCCC2)CC1 ZINC000115739326 726236363 /nfs/dbraw/zinc/23/63/63/726236363.db2.gz GNNUIAKMWKNSNT-UHFFFAOYSA-N 2 0 284.444 1.460 10 0 CDAERP C[C@@]1(CNc2ccc3c(c2)C[NH2+]CCO3)CC[NH2+]C1 ZINC000843125549 726310450 /nfs/dbraw/zinc/31/04/50/726310450.db2.gz BWZAXLKQVRPXFE-OAHLLOKOSA-N 2 0 261.369 1.580 10 0 CDAERP Cc1cc(NC(=O)CC[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)no1 ZINC000923498303 726314078 /nfs/dbraw/zinc/31/40/78/726314078.db2.gz OAYQIRMTPMHCLT-JQWIXIFHSA-N 2 0 280.372 1.228 10 0 CDAERP Cc1cnccc1C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923447758 726318030 /nfs/dbraw/zinc/31/80/30/726318030.db2.gz WJTYHEJLBLEWHC-HNNXBMFYSA-N 2 0 275.396 1.720 10 0 CDAERP Cc1cccnc1NC(=O)C[N@H+](C)CCCCCC[NH3+] ZINC000872158043 726336966 /nfs/dbraw/zinc/33/69/66/726336966.db2.gz SDZCEXXUIXSEDG-UHFFFAOYSA-N 2 0 278.400 1.779 10 0 CDAERP C[C@@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)C1CC[NH+](C)CC1 ZINC000866413080 726338455 /nfs/dbraw/zinc/33/84/55/726338455.db2.gz FZJZTBCBETVEIX-HIFRSBDPSA-N 2 0 283.460 1.152 10 0 CDAERP COC1(OC)CC[C@@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715554159 726354679 /nfs/dbraw/zinc/35/46/79/726354679.db2.gz VSYNZJYIGBYNOP-BPCQOVAHSA-N 2 0 256.390 1.600 10 0 CDAERP COC[C@H](CCO)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925610872 726358609 /nfs/dbraw/zinc/35/86/09/726358609.db2.gz IDYHHRWKODMFCX-RRFJBIMHSA-N 2 0 270.417 1.142 10 0 CDAERP C[N@@H+]1CC[C@H]2CN(C(=O)CCCCC[NH3+])CC[C@@H]21 ZINC000870981767 726364242 /nfs/dbraw/zinc/36/42/42/726364242.db2.gz JYQCHQBARJCVJQ-STQMWFEESA-N 2 0 253.390 1.058 10 0 CDAERP CSC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000923391950 726364279 /nfs/dbraw/zinc/36/42/79/726364279.db2.gz HCKKOQBMKXEWGB-REWJHTLYSA-N 2 0 288.457 1.071 10 0 CDAERP FC(F)(F)CN1CC[C@H](C[NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000129117011 726367434 /nfs/dbraw/zinc/36/74/34/726367434.db2.gz FDHLTVXORRYCFR-NEPJUHHUSA-N 2 0 279.350 1.602 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870949430 726378301 /nfs/dbraw/zinc/37/83/01/726378301.db2.gz FNRQCCCKGIOEIB-YCPHGPKFSA-N 2 0 273.380 1.150 10 0 CDAERP C[C@@H]1CCCCN1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000261982982 726394161 /nfs/dbraw/zinc/39/41/61/726394161.db2.gz RUNYLJDCTRAQNY-QBPKDAKJSA-N 2 0 295.471 1.608 10 0 CDAERP C[N@@H+]1CC[C@H]2CN(C(=O)[C@@H]3C[C@H]3C3CC[NH2+]CC3)CC[C@@H]21 ZINC000870981008 726399235 /nfs/dbraw/zinc/39/92/35/726399235.db2.gz FEZNGXITVOVCIS-JONQDZQNSA-N 2 0 291.439 1.175 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000091543906 726803978 /nfs/dbraw/zinc/80/39/78/726803978.db2.gz SPJGDROJJHNODI-DLBZAZTESA-N 2 0 273.424 1.932 10 0 CDAERP C[C@H](CNC(=O)[C@]12CCC[C@H]1[NH2+]CC2)[N@H+](C)C1CC1 ZINC000711378987 726807096 /nfs/dbraw/zinc/80/70/96/726807096.db2.gz NCDVVVOQQGNHDF-KYOSRNDESA-N 2 0 265.401 1.118 10 0 CDAERP C[C@@H]1C[C@@H](C)N(C(=O)C=C2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000852893952 726811016 /nfs/dbraw/zinc/81/10/16/726811016.db2.gz RBIVQICVYQRHFA-YRGRVCCFSA-N 2 0 265.401 1.128 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC000861568433 726832578 /nfs/dbraw/zinc/83/25/78/726832578.db2.gz CILCQBASARWIEA-GFCCVEGCSA-N 2 0 270.421 1.097 10 0 CDAERP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)[C@H]1CCCOC1 ZINC000723973158 726842381 /nfs/dbraw/zinc/84/23/81/726842381.db2.gz DHSOOIHHEDTAND-JYJNAYRXSA-N 2 0 284.444 1.628 10 0 CDAERP Cc1nccn1CCCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925523023 726852877 /nfs/dbraw/zinc/85/28/77/726852877.db2.gz QTVJKPFDFYISIC-KBPBESRZSA-N 3 0 262.401 1.831 10 0 CDAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CCCC1CC[NH2+]CC1)CC2 ZINC000923451927 726853658 /nfs/dbraw/zinc/85/36/58/726853658.db2.gz NUXVLZHIHJVXRO-MRXNPFEDSA-N 3 0 295.471 1.596 10 0 CDAERP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)C(C)(C)CO ZINC000925242135 726881384 /nfs/dbraw/zinc/88/13/84/726881384.db2.gz WJDDDGGGHATQPL-STQMWFEESA-N 2 0 260.422 1.340 10 0 CDAERP C[C@H]([NH3+])c1ccc(CN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)cc1 ZINC000925701005 726888092 /nfs/dbraw/zinc/88/80/92/726888092.db2.gz YTCWKMTXGQZWHJ-GROJBKKJSA-N 2 0 271.408 1.792 10 0 CDAERP CN(CCC[NH2+]Cc1ccc2c[nH]nc2c1)CC[NH+](C)C ZINC000857784277 726888108 /nfs/dbraw/zinc/88/81/08/726888108.db2.gz UJWULFKOUHJJRH-UHFFFAOYSA-N 2 0 289.427 1.536 10 0 CDAERP C[N@@H+]1CC[C@H](NC[C@H]2C[NH+]3CCC[C@@H]3CO2)CC1(C)C ZINC000858126855 726888579 /nfs/dbraw/zinc/88/85/79/726888579.db2.gz LKJAHAFGXUAPGR-ZNMIVQPWSA-N 2 0 281.444 1.312 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)C=C2CC[NH2+]CC2)cc1 ZINC000852797812 726915748 /nfs/dbraw/zinc/91/57/48/726915748.db2.gz BSHKNGPBIBQOTO-GFCCVEGCSA-N 2 0 273.380 1.632 10 0 CDAERP CC(C)[C@@H]1C[C@H]([NH2+]CCN2CCC([NH3+])CC2)CCO1 ZINC000925814374 726926553 /nfs/dbraw/zinc/92/65/53/726926553.db2.gz IFHSCJHPJARVGK-CABCVRRESA-N 2 0 269.433 1.203 10 0 CDAERP Cc1nccn1C[C@@H](C)C[NH2+]Cc1cnc2c(cnn2C)c1 ZINC000865448360 726934047 /nfs/dbraw/zinc/93/40/47/726934047.db2.gz FXZKIKGLYHYGDB-LBPRGKRZSA-N 2 0 298.394 1.899 10 0 CDAERP C[C@@H]1C[C@H]1NC(=[NH2+])NCC1([NH+]2CCCC2)CCOCC1 ZINC000864457246 726953367 /nfs/dbraw/zinc/95/33/67/726953367.db2.gz BVRKKZAHXQHUGW-CHWSQXEVSA-N 2 0 280.416 1.154 10 0 CDAERP C[N@@H+]1CCN(C(=O)C[C@H]2CCC[NH2+]2)CCC1(C)C ZINC000712674489 726960926 /nfs/dbraw/zinc/96/09/26/726960926.db2.gz UCYIPAPFRPGRII-GFCCVEGCSA-N 2 0 253.390 1.071 10 0 CDAERP CCO[C@@H](CC[NH+](C)C)CN[C@H]1CC[NH2+]C12CCC2 ZINC000925542571 726974042 /nfs/dbraw/zinc/97/40/42/726974042.db2.gz PLIZTOFHJNKGHC-KBPBESRZSA-N 2 0 269.433 1.217 10 0 CDAERP O[C@@H]1CCC[C@H]1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925689457 726976225 /nfs/dbraw/zinc/97/62/25/726976225.db2.gz HHIAHIMGBPJEIX-XUWVNRHRSA-N 2 0 266.429 1.905 10 0 CDAERP Cc1nccn1CCC[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709877817 726981038 /nfs/dbraw/zinc/98/10/38/726981038.db2.gz AQXBZSYEXWMMPW-VXGBXAGGSA-N 2 0 290.333 1.651 10 0 CDAERP COC(=O)[C@@H]1CCC[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923370238 727038295 /nfs/dbraw/zinc/03/82/95/727038295.db2.gz TVELVVYRPVNJGF-GSPSYOTPSA-N 2 0 266.385 1.545 10 0 CDAERP C[C@H](C1CC1)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000782181442 727042294 /nfs/dbraw/zinc/04/22/94/727042294.db2.gz HZIFUIOKHWSQQI-HIFRSBDPSA-N 2 0 251.418 1.497 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CC[NH2+]C(C)(C)C ZINC000092629766 727047334 /nfs/dbraw/zinc/04/73/34/727047334.db2.gz OCPAEYZTEZTUAF-ZDUSSCGKSA-N 2 0 269.433 1.707 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1)[NH+](CC)CC ZINC000869780396 727052396 /nfs/dbraw/zinc/05/23/96/727052396.db2.gz INUSQQSTJFGMBR-UONOGXRCSA-N 2 0 299.459 1.068 10 0 CDAERP CC1(C)[C@H]([NH2+]CC2(CO)CCOCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925619304 727087734 /nfs/dbraw/zinc/08/77/34/727087734.db2.gz ZAPFZILBNWSNEX-HZSPNIEDSA-N 2 0 282.428 1.142 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCN1CC[NH+](CCCCCO)CC1 ZINC000931496146 727106957 /nfs/dbraw/zinc/10/69/57/727106957.db2.gz JVCDSEJOCSIQHP-MRXNPFEDSA-N 2 0 283.460 1.251 10 0 CDAERP Cc1cccc(NC(=[NH2+])NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000849000433 727200441 /nfs/dbraw/zinc/20/04/41/727200441.db2.gz TUDFJGNXVGOGMS-CABCVRRESA-N 2 0 288.395 1.794 10 0 CDAERP C([C@@H]1C[C@@H]2COC[C@H]2O1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000724582709 727212648 /nfs/dbraw/zinc/21/26/48/727212648.db2.gz DBBBYERBZWSFII-FXUDXRNXSA-N 2 0 280.412 1.254 10 0 CDAERP Cc1ccccc1OCC[N@@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923302315 727217816 /nfs/dbraw/zinc/21/78/16/727217816.db2.gz UVRKLQZAHUGJAV-OAHLLOKOSA-N 2 0 290.407 1.684 10 0 CDAERP C[NH+](C)C1(C)CCC([NH2+]C[C@@H](O)C(F)(F)F)CC1 ZINC000715584332 727228101 /nfs/dbraw/zinc/22/81/01/727228101.db2.gz HDTNMKITACDCGB-HSOILSAZSA-N 2 0 268.323 1.762 10 0 CDAERP CC1(C)CC[C@@H](C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)OC1 ZINC000713595588 727235737 /nfs/dbraw/zinc/23/57/37/727235737.db2.gz IEDVVGCXRNMDHA-GJZGRUSLSA-N 2 0 281.444 1.171 10 0 CDAERP C([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724651555 727238942 /nfs/dbraw/zinc/23/89/42/727238942.db2.gz ZQLADYPZSHJSSA-KHMAMNHCSA-N 2 0 266.385 1.007 10 0 CDAERP [NH3+]C1CCC(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000250812884 727264212 /nfs/dbraw/zinc/26/42/12/727264212.db2.gz DPOWHIAPEDJYTI-RYKAKRHSSA-N 2 0 279.428 1.683 10 0 CDAERP C[C@@H]([NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)C1CC[NH2+]CC1 ZINC000925728582 727290527 /nfs/dbraw/zinc/29/05/27/727290527.db2.gz LEDLCUKQMUSOEE-BNOWGMLFSA-N 3 0 253.434 1.870 10 0 CDAERP CCC[C@H](O)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000927014299 727335865 /nfs/dbraw/zinc/33/58/65/727335865.db2.gz BXCZORDUYQCLAY-GBJTYRQASA-N 2 0 254.418 2.000 10 0 CDAERP C[C@H]([NH2+]C[C@H]1CN(C2CC2)C(=O)O1)C1CC[NH+](C)CC1 ZINC000848571796 727360248 /nfs/dbraw/zinc/36/02/48/727360248.db2.gz UGMYGZOIBRTRTD-FZMZJTMJSA-N 2 0 281.400 1.290 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000870912956 727361063 /nfs/dbraw/zinc/36/10/63/727361063.db2.gz OEBOIBCDUNFLQJ-WOSRLPQWSA-N 2 0 277.412 1.106 10 0 CDAERP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925814947 727365312 /nfs/dbraw/zinc/36/53/12/727365312.db2.gz NOIOCYGURHFWLF-SUMWQHHRSA-N 2 0 273.424 1.933 10 0 CDAERP C[C@H]1C[C@@H](NC[C@]23CCC[C@H]2[NH2+]CC3)C[N@@H+]1C1CC1 ZINC000925845668 727366635 /nfs/dbraw/zinc/36/66/35/727366635.db2.gz ZOSXGAWDZIVXLZ-SJXGUFTOSA-N 2 0 263.429 1.733 10 0 CDAERP Cc1nnsc1C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923442395 727376902 /nfs/dbraw/zinc/37/69/02/727376902.db2.gz CBEVCVUYHQPRAZ-LLVKDONJSA-N 2 0 282.413 1.176 10 0 CDAERP C[N@H+]1C[C@H]2CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C[C@H]2C1 ZINC000813544328 727391139 /nfs/dbraw/zinc/39/11/39/727391139.db2.gz YQGOCUHAUIHSKX-DVOMOZLQSA-N 2 0 297.418 1.219 10 0 CDAERP CCCN(C)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867591055 727399242 /nfs/dbraw/zinc/39/92/42/727399242.db2.gz YLKYKMYVGVOUGB-ZIAGYGMSSA-N 2 0 284.448 1.119 10 0 CDAERP C[C@H](CNC(=O)C[C@H]1CCC[NH2+]C1)[NH+]1CCCCC1 ZINC000054292278 727404576 /nfs/dbraw/zinc/40/45/76/727404576.db2.gz PNFZQPQPFQHKDA-ZIAGYGMSSA-N 2 0 267.417 1.367 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)[C@H]([NH3+])C(C)C ZINC000713014838 727418545 /nfs/dbraw/zinc/41/85/45/727418545.db2.gz JKYLLOFRWAXURF-QWHCGFSZSA-N 2 0 269.433 1.596 10 0 CDAERP Cc1cccc(NCC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)n1 ZINC000925578223 727422536 /nfs/dbraw/zinc/42/25/36/727422536.db2.gz ATJKEBNOSZWZMA-QWHCGFSZSA-N 2 0 260.385 1.661 10 0 CDAERP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccnnc1 ZINC000925024719 727459049 /nfs/dbraw/zinc/45/90/49/727459049.db2.gz XAMSFXAFSWFWQD-UKRRQHHQSA-N 2 0 278.400 1.364 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000925492439 727460056 /nfs/dbraw/zinc/46/00/56/727460056.db2.gz IQXXAZSUPJTJFY-CQSZACIVSA-N 3 0 253.434 1.839 10 0 CDAERP C[NH+](C)CC1(O)CC[NH+](C[C@@H](O)CC2CCCC2)CC1 ZINC000710571340 727468354 /nfs/dbraw/zinc/46/83/54/727468354.db2.gz UQECCOPLHGVSJN-HNNXBMFYSA-N 2 0 284.444 1.316 10 0 CDAERP C[NH+](C)Cc1cccc(CNC2=[NH+]CCCCN2)c1 ZINC000849215406 727789880 /nfs/dbraw/zinc/78/98/80/727789880.db2.gz HRFAIUZNWNJBGE-UHFFFAOYSA-N 2 0 260.385 1.577 10 0 CDAERP CC[C@@H]1COC[C@H]1[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000926687210 727806246 /nfs/dbraw/zinc/80/62/46/727806246.db2.gz WEQIMSGZYKWENR-RRFJBIMHSA-N 2 0 271.449 1.273 10 0 CDAERP C(C[C@@H]1CCCS1)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000715626741 727812534 /nfs/dbraw/zinc/81/25/34/727812534.db2.gz VKLVPBUIOUSKBP-XNBXPENISA-N 2 0 252.427 1.858 10 0 CDAERP CCOC(=O)CC(C)(C)C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000838943746 727813438 /nfs/dbraw/zinc/81/34/38/727813438.db2.gz PGVJZWUVIGZJPZ-ZDUSSCGKSA-N 2 0 270.417 1.897 10 0 CDAERP C[C@H]1OCC[C@H]1[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925887045 727815839 /nfs/dbraw/zinc/81/58/39/727815839.db2.gz QAAWOBOBUNOSDH-MIGQKNRLSA-N 2 0 260.381 1.813 10 0 CDAERP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@H](C1CC1)[C@H]1CNCCO1 ZINC000925820405 727830886 /nfs/dbraw/zinc/83/08/86/727830886.db2.gz CHFRQCLHUCBPMI-VYYMVKLKSA-N 2 0 250.386 1.388 10 0 CDAERP C[C@H]([NH3+])[C@H](C)c1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000823167735 727836302 /nfs/dbraw/zinc/83/63/02/727836302.db2.gz KVZVKELNSWRTFA-IUCAKERBSA-N 2 0 257.297 1.835 10 0 CDAERP C[C@H](CCc1cccnc1)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000866259926 727838148 /nfs/dbraw/zinc/83/81/48/727838148.db2.gz IEXJXSZOSZTLFW-CVEARBPZSA-N 2 0 290.455 1.628 10 0 CDAERP C[C@H](CCS(C)(=O)=O)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925560528 727840925 /nfs/dbraw/zinc/84/09/25/727840925.db2.gz MRGOPSGSLMFETN-GRYCIOLGSA-N 2 0 276.446 1.305 10 0 CDAERP C[C@](O)(C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)c1ccc(F)cc1 ZINC000925631884 727856679 /nfs/dbraw/zinc/85/66/79/727856679.db2.gz YCTHLYXBRDRVAS-ILXRZTDVSA-N 2 0 278.371 1.893 10 0 CDAERP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)[C@@]1(F)CC[NH2+]C1 ZINC000841851873 727860070 /nfs/dbraw/zinc/86/00/70/727860070.db2.gz ZJQWCYPNDMPHTN-CQSZACIVSA-N 2 0 281.306 1.112 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC000721566400 727892089 /nfs/dbraw/zinc/89/20/89/727892089.db2.gz GDDJGLWSEOLRTJ-UONOGXRCSA-N 2 0 284.444 1.626 10 0 CDAERP CCCCCC[N@H+](C)CC(=O)N1CC[C@@H]2C[NH+](C)C[C@H]21 ZINC000816952206 727893436 /nfs/dbraw/zinc/89/34/36/727893436.db2.gz FKTJPUPOVKFUSC-HUUCEWRRSA-N 2 0 281.444 1.661 10 0 CDAERP CCCCCC[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](C)CC[C@@H]2C1 ZINC000812323508 727963946 /nfs/dbraw/zinc/96/39/46/727963946.db2.gz VLICXXDWGHAXLM-CVEARBPZSA-N 2 0 295.471 1.909 10 0 CDAERP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc3c(cnn3C)c2)C1 ZINC000865417366 727970991 /nfs/dbraw/zinc/97/09/91/727970991.db2.gz IHVUIVSSEPIYFY-LBPRGKRZSA-N 2 0 273.384 1.400 10 0 CDAERP C[C@H]1C[C@@H](NCc2cnc3c(cnn3C)c2)CC[N@@H+]1C ZINC000865475910 727982168 /nfs/dbraw/zinc/98/21/68/727982168.db2.gz QRHLASGBLCBFCC-FZMZJTMJSA-N 2 0 273.384 1.541 10 0 CDAERP CCCCOC[C@H](O)CN1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000705683914 727995533 /nfs/dbraw/zinc/99/55/33/727995533.db2.gz ZGESCWVWUHTDPZ-BZUAXINKSA-N 2 0 284.444 1.438 10 0 CDAERP COc1ccc([C@@H](C[NH3+])C[N@@H+]2C[C@@H](O)CC(C)(C)C2)cc1 ZINC000866702389 728009702 /nfs/dbraw/zinc/00/97/02/728009702.db2.gz AIDWNQCEGXKZKK-GJZGRUSLSA-N 2 0 292.423 1.830 10 0 CDAERP CN(CCC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)CC(F)(F)F ZINC000925546761 728027766 /nfs/dbraw/zinc/02/77/66/728027766.db2.gz KHMXDHMYGHHORI-MNOVXSKESA-N 2 0 279.350 1.730 10 0 CDAERP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@@H](O)CC(C)(C)O)C1 ZINC000872201312 728047784 /nfs/dbraw/zinc/04/77/84/728047784.db2.gz VZVUEJAIKPGETJ-CABCVRRESA-N 2 0 286.460 1.610 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000841856610 728056463 /nfs/dbraw/zinc/05/64/63/728056463.db2.gz XTDGAJZTTOXBIU-HESLUPGFSA-N 2 0 296.459 1.818 10 0 CDAERP Cn1cc(-c2cc(C[N@H+](C)C3CCC([NH3+])CC3)on2)cn1 ZINC000843354633 728067550 /nfs/dbraw/zinc/06/75/50/728067550.db2.gz GDQJNEBNXDBOAZ-UHFFFAOYSA-N 2 0 289.383 1.777 10 0 CDAERP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000713041271 728088525 /nfs/dbraw/zinc/08/85/25/728088525.db2.gz BNUVYSCDZBOVSZ-VXGBXAGGSA-N 2 0 255.406 1.158 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1cnc(Cl)c(C)c1 ZINC000863647260 728099154 /nfs/dbraw/zinc/09/91/54/728099154.db2.gz GZGWXGZCQXNZNG-UHFFFAOYSA-N 2 0 271.792 1.711 10 0 CDAERP CC1(C)[C@@H](N[C@H]2CCC[NH2+]CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925700288 728137751 /nfs/dbraw/zinc/13/77/51/728137751.db2.gz OZQIKMWGKAKZNN-CRWXNKLISA-N 3 0 251.418 1.495 10 0 CDAERP CC(C)[C@@H](CNC(=[NH2+])N1CCO[C@@H](C)C1)[NH+]1CCCC1 ZINC000848984201 728184484 /nfs/dbraw/zinc/18/44/84/728184484.db2.gz YJJXQMGHRKCXQO-UONOGXRCSA-N 2 0 282.432 1.352 10 0 CDAERP C[NH+](C)C1CC([NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)C1 ZINC000723651446 728203534 /nfs/dbraw/zinc/20/35/34/728203534.db2.gz NNFWVZFPDUBMLI-XDYZINJXSA-N 2 0 252.402 1.874 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCOCC(F)(F)F)C2 ZINC000709842861 728204216 /nfs/dbraw/zinc/20/42/16/728204216.db2.gz MPERAHYUGGVUFN-AEJSXWLSSA-N 2 0 252.280 1.377 10 0 CDAERP Cc1n[nH]c(C[NH2+]C2CCC([NH+](C)C)CC2)c1C ZINC000716473505 728229945 /nfs/dbraw/zinc/22/99/45/728229945.db2.gz SNWNXXTUXCGXSR-UHFFFAOYSA-N 2 0 250.390 1.989 10 0 CDAERP CC(C)(O)C[C@H](O)C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000872201341 728242522 /nfs/dbraw/zinc/24/25/22/728242522.db2.gz WNBHGTUJNJCSOC-ZDUSSCGKSA-N 2 0 272.433 1.361 10 0 CDAERP Cc1nccn1CCCC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000834546994 728260784 /nfs/dbraw/zinc/26/07/84/728260784.db2.gz YSWUUFCTNKSLKW-WCQYABFASA-N 2 0 264.373 1.086 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nn2)C1 ZINC000848563145 728287254 /nfs/dbraw/zinc/28/72/54/728287254.db2.gz PRYMIWASUSPRNB-AKAXFMLLSA-N 2 0 285.395 1.697 10 0 CDAERP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000869778643 728289315 /nfs/dbraw/zinc/28/93/15/728289315.db2.gz MLRAWSSPAAXWQG-OLZOCXBDSA-N 2 0 299.459 1.115 10 0 CDAERP CCc1nocc1CONC(=[NH2+])[C@H]1CN(C(C)C)CCO1 ZINC000848511435 728300671 /nfs/dbraw/zinc/30/06/71/728300671.db2.gz ROAPBICINPPHHK-CYBMUJFWSA-N 2 0 296.371 1.345 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+]C2[C@@H](C)COC[C@@H]2C)CC1 ZINC000924657149 728306490 /nfs/dbraw/zinc/30/64/90/728306490.db2.gz GBBWDGOUQPZHJS-GJZGRUSLSA-N 2 0 283.460 1.275 10 0 CDAERP Cc1cc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)nn1C ZINC000926910998 728314606 /nfs/dbraw/zinc/31/46/06/728314606.db2.gz NNAKUEIQBILOLW-XHSDSOJGSA-N 2 0 276.428 1.733 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@H](C)[NH2+]C2CC2)CC1 ZINC000715223418 728319381 /nfs/dbraw/zinc/31/93/81/728319381.db2.gz QDYOUFPNLKIWGV-LBPRGKRZSA-N 2 0 267.417 1.460 10 0 CDAERP CCNC(=[NH2+])NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397492194 728334259 /nfs/dbraw/zinc/33/42/59/728334259.db2.gz AEGSBXJHVZXNRT-UHFFFAOYSA-N 2 0 290.411 1.147 10 0 CDAERP CN(C)c1cc[nH+]cc1C(=O)NCCCCCC[NH3+] ZINC000843512421 728349583 /nfs/dbraw/zinc/34/95/83/728349583.db2.gz ZJTBQHDXMMLBKH-UHFFFAOYSA-N 2 0 264.373 1.397 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCN1CCc2[nH+]ccc(N)c2C1 ZINC000931515081 728361267 /nfs/dbraw/zinc/36/12/67/728361267.db2.gz NYVOJHCEGMPHSW-GFCCVEGCSA-N 2 0 260.385 1.506 10 0 CDAERP [NH2+]=C(NCCNc1cc[nH+]cc1)NC1CCCCC1 ZINC000848995183 728365037 /nfs/dbraw/zinc/36/50/37/728365037.db2.gz CJQLGGUPLSHPMW-UHFFFAOYSA-N 2 0 261.373 1.362 10 0 CDAERP O[C@@H](C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)C1CC1 ZINC000838980632 728368791 /nfs/dbraw/zinc/36/87/91/728368791.db2.gz KPCUKWGHLLWCOE-KSZLIROESA-N 2 0 286.419 1.821 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872278049 1165408291 /nfs/dbraw/zinc/40/82/91/1165408291.db2.gz FDTOEMPZZMFBKZ-KFWWJZLASA-N 2 0 281.444 1.885 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC(C)(C)[NH+](C)C)C1 ZINC001618046229 1165617552 /nfs/dbraw/zinc/61/75/52/1165617552.db2.gz SOJGJICXIRJJAA-QWHCGFSZSA-N 2 0 269.433 1.563 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001627988251 1166030051 /nfs/dbraw/zinc/03/00/51/1166030051.db2.gz WHCYLEIGTHANPG-HZSPNIEDSA-N 2 0 269.433 1.563 10 0 CDAERP Cc1ccc(NCCNC(=O)CC[N@@H+]2CC[C@H](F)C2)nc1 ZINC001646261202 1167730300 /nfs/dbraw/zinc/73/03/00/1167730300.db2.gz UQKRGXZSTNOFTB-ZDUSSCGKSA-N 2 0 294.374 1.352 10 0 CDAERP CCC[NH2+][C@H](CC)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001269471025 903839510 /nfs/dbraw/zinc/83/95/10/903839510.db2.gz FBHNNBMHIBCPAD-CHWSQXEVSA-N 2 0 255.406 1.223 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001568190669 1168095900 /nfs/dbraw/zinc/09/59/00/1168095900.db2.gz NOSUTSRNZHVHPI-CHWSQXEVSA-N 2 0 287.423 1.418 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC001483675521 912582193 /nfs/dbraw/zinc/58/21/93/912582193.db2.gz BMUHMSARXFHWPU-OAHLLOKOSA-N 2 0 275.396 1.329 10 0 CDAERP CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001272281694 912627177 /nfs/dbraw/zinc/62/71/77/912627177.db2.gz UHVXUWXLCXDHMG-GJZGRUSLSA-N 2 0 293.455 1.899 10 0 CDAERP CCC[NH2+][C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001266439929 894907746 /nfs/dbraw/zinc/90/77/46/894907746.db2.gz ZRKFOEXNGIQFAC-JSGCOSHPSA-N 2 0 267.417 1.223 10 0 CDAERP CCCCCC[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001266659493 895711965 /nfs/dbraw/zinc/71/19/65/895711965.db2.gz DGKGMPHCGGRHPF-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]CCC[C@H](C)O ZINC001266699869 895856981 /nfs/dbraw/zinc/85/69/81/895856981.db2.gz QXYFKHPUOMPZEB-LSDHHAIUSA-N 2 0 299.459 1.068 10 0 CDAERP CC(C)OCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266725697 895924122 /nfs/dbraw/zinc/92/41/22/895924122.db2.gz QCSFQSKAXYPOHB-QLFBSQMISA-N 2 0 299.459 1.234 10 0 CDAERP CN(CC[NH2+]CCF)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001266897545 896300328 /nfs/dbraw/zinc/30/03/28/896300328.db2.gz NYIBUZFYGWWSNX-UHFFFAOYSA-N 2 0 281.375 1.379 10 0 CDAERP CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001267070688 896688019 /nfs/dbraw/zinc/68/80/19/896688019.db2.gz ORNCZFTZUXWCHR-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000693594531 896850383 /nfs/dbraw/zinc/85/03/83/896850383.db2.gz BQPOJGPGGYHTSC-BHYGNILZSA-N 2 0 273.424 1.930 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001267152945 896935727 /nfs/dbraw/zinc/93/57/27/896935727.db2.gz XPEHFINASVBJMJ-HUUCEWRRSA-N 2 0 281.444 1.779 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001267299044 897509412 /nfs/dbraw/zinc/50/94/12/897509412.db2.gz WFBOPWOLFRTSLY-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP CN(CC[NH2+]Cc1cccnc1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001267392010 897851157 /nfs/dbraw/zinc/85/11/57/897851157.db2.gz YVSUGIWXBFWREU-HNNXBMFYSA-N 2 0 290.411 1.114 10 0 CDAERP Cc1csc(C[NH2+]CCN(C)C(=O)CCC[NH+](C)C)n1 ZINC001267419907 897879409 /nfs/dbraw/zinc/87/94/09/897879409.db2.gz RXKWHQMARZHHNM-UHFFFAOYSA-N 2 0 298.456 1.341 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH2+]CC[C@H](C)F ZINC001567611827 1168887221 /nfs/dbraw/zinc/88/72/21/1168887221.db2.gz WLIMPJLQISMVJR-LBPRGKRZSA-N 2 0 261.385 1.123 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@@H+](C/C=C/Cl)C1 ZINC001481125005 898937048 /nfs/dbraw/zinc/93/70/48/898937048.db2.gz ZKOSQXVNPGATQW-LQPUYASZSA-N 2 0 285.819 1.273 10 0 CDAERP COCCC[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001267709613 899342643 /nfs/dbraw/zinc/34/26/43/899342643.db2.gz YYOBKDKUEWNRCD-HNNXBMFYSA-N 2 0 299.459 1.143 10 0 CDAERP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CC1=CCCCC1 ZINC001267818509 899805613 /nfs/dbraw/zinc/80/56/13/899805613.db2.gz IFJJUWPCFILCMQ-OAHLLOKOSA-N 2 0 281.444 1.923 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CC[C@H]([NH2+]CCCF)CC2)C1 ZINC001267933084 900001925 /nfs/dbraw/zinc/00/19/25/900001925.db2.gz CFKFMMDZLQEBBZ-RBSFLKMASA-N 2 0 299.434 1.705 10 0 CDAERP CN(CC[NH2+]CC1CCC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001481302490 900264160 /nfs/dbraw/zinc/26/41/60/900264160.db2.gz MUSSDWCMEXUYEO-AWEZNQCLSA-N 2 0 267.417 1.176 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NCC[C@@H]2CC[NH+](CCC3CC3)C2)C1 ZINC001481464363 900797264 /nfs/dbraw/zinc/79/72/64/900797264.db2.gz JXURLSJHMUTXDZ-HZPDHXFCSA-N 2 0 293.455 1.566 10 0 CDAERP CC(C)OC[C@H](O)C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000226350966 901470960 /nfs/dbraw/zinc/47/09/60/901470960.db2.gz QCCPEVRYLYZWNQ-CYBMUJFWSA-N 2 0 258.406 1.094 10 0 CDAERP C[C@H](F)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001481677756 901785795 /nfs/dbraw/zinc/78/57/95/901785795.db2.gz LFRNNCMJLYHAMJ-IHRRRGAJSA-N 2 0 285.407 1.361 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCCCCF)CC1 ZINC001483759316 914577072 /nfs/dbraw/zinc/57/70/72/914577072.db2.gz CMAACDKQHFQUOD-AWEZNQCLSA-N 2 0 299.434 1.849 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CC1CCC1 ZINC001481812703 902166133 /nfs/dbraw/zinc/16/61/33/902166133.db2.gz RUDMLXUBAJJDMK-JKSUJKDBSA-N 2 0 293.455 1.613 10 0 CDAERP CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC=C(C)C ZINC001481870462 902249179 /nfs/dbraw/zinc/24/91/79/902249179.db2.gz MRLRBWRWRIYGQZ-CQSZACIVSA-N 2 0 279.428 1.533 10 0 CDAERP CCN(CC[NH2+]CC1CC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001268490697 902362198 /nfs/dbraw/zinc/36/21/98/902362198.db2.gz HDQFVMNABXVWMP-CQSZACIVSA-N 2 0 267.417 1.176 10 0 CDAERP CC(C)C[NH2+]CC[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001481990930 902444103 /nfs/dbraw/zinc/44/41/03/902444103.db2.gz GDISHVPEJAHJSG-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP CCCCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268580223 902662808 /nfs/dbraw/zinc/66/28/08/902662808.db2.gz WIIHNVMOOXXZSK-KIUWMYQTSA-N 2 0 281.444 1.923 10 0 CDAERP C[NH+]1CCC(C(=O)NC/C=C/C[NH2+]CC2CC2)CC1 ZINC001268588196 902691794 /nfs/dbraw/zinc/69/17/94/902691794.db2.gz PDUDRKCYRFUEFG-NSCUHMNNSA-N 2 0 265.401 1.000 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001482162344 902781200 /nfs/dbraw/zinc/78/12/00/902781200.db2.gz UKUQZJCOGUDTIM-HUUCEWRRSA-N 2 0 283.460 1.881 10 0 CDAERP CCCCC[NH2+]C[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001268645864 902890422 /nfs/dbraw/zinc/89/04/22/902890422.db2.gz ZAQOKJLYKRHPER-HIFRSBDPSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268659443 902912881 /nfs/dbraw/zinc/91/28/81/902912881.db2.gz RWUFEFVMHVYRNG-CHWSQXEVSA-N 2 0 255.406 1.221 10 0 CDAERP CC/C=C/CC[NH2+]C[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001268704567 902988549 /nfs/dbraw/zinc/98/85/49/902988549.db2.gz IUVLQDBKJIZODF-WHJWBVKISA-N 2 0 281.444 1.779 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@@H](C[NH2+]CCC2CC2)C2CC2)CCC1 ZINC001269079597 903406455 /nfs/dbraw/zinc/40/64/55/903406455.db2.gz OQCOOHXYZRTHHT-HNNXBMFYSA-N 2 0 293.455 1.755 10 0 CDAERP CC[N@H+](C)CCC(=O)NCC1([NH2+]CC=C(C)C)CC1 ZINC001269519058 903882580 /nfs/dbraw/zinc/88/25/80/903882580.db2.gz XSMFWGWQPLAPSD-UHFFFAOYSA-N 2 0 267.417 1.533 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H](F)C2)CC1 ZINC001362835678 904093126 /nfs/dbraw/zinc/09/31/26/904093126.db2.gz FUXPCYCLALLMPC-ZIAGYGMSSA-N 2 0 285.407 1.363 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H](CC[NH2+]CC3CC3)C2)C1 ZINC001269800154 904120166 /nfs/dbraw/zinc/12/01/66/904120166.db2.gz YYURNACWTSGJCN-HZPDHXFCSA-N 2 0 293.455 1.566 10 0 CDAERP CC1CC[NH+](CC(=O)N2CCC[C@@H]2C[NH2+]CCCF)CC1 ZINC001270159123 904404950 /nfs/dbraw/zinc/40/49/50/904404950.db2.gz MLQHNRASEUTCGR-OAHLLOKOSA-N 2 0 299.434 1.659 10 0 CDAERP C[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+]C/C=C/Cl)CC1 ZINC001270258687 904485340 /nfs/dbraw/zinc/48/53/40/904485340.db2.gz CCHUURKZYVKPEZ-UFZAZABTSA-N 2 0 299.846 1.661 10 0 CDAERP CC/C=C\CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001482317919 904965850 /nfs/dbraw/zinc/96/58/50/904965850.db2.gz AYOSMNJODKACSX-NHQLZKDQSA-N 2 0 281.444 1.873 10 0 CDAERP CCC[NH2+]C[C@@H](C)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001270988743 905527434 /nfs/dbraw/zinc/52/74/34/905527434.db2.gz VQBZHOFUIVDEKX-GFCCVEGCSA-N 2 0 255.406 1.317 10 0 CDAERP COCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001271215484 906184210 /nfs/dbraw/zinc/18/42/10/906184210.db2.gz GQBWUQRHMFQHPM-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)C[C@@H](C[NH2+]CCF)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001271284823 906224930 /nfs/dbraw/zinc/22/49/30/906224930.db2.gz AGBJSIXHRUTMPR-KBPBESRZSA-N 2 0 287.423 1.561 10 0 CDAERP CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)C(C)C ZINC001271758656 906780235 /nfs/dbraw/zinc/78/02/35/906780235.db2.gz CTLSLVKVQKSCOV-ZIAGYGMSSA-N 2 0 269.433 1.563 10 0 CDAERP CCC[NH2+]CC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001482868507 908448444 /nfs/dbraw/zinc/44/84/44/908448444.db2.gz UXUAFQARAPJJGB-LBPRGKRZSA-N 2 0 255.406 1.223 10 0 CDAERP CC[C@H](F)C[NH2+]C/C=C/CNC(=O)C1([NH+](C)C)CCC1 ZINC001483017775 908694783 /nfs/dbraw/zinc/69/47/83/908694783.db2.gz MKJVSAGEQUEKOZ-GFUIURDCSA-N 2 0 285.407 1.481 10 0 CDAERP c1ccc(C[N@H+]2CCC[C@H]2CNC2=[NH+]CCCCN2)cc1 ZINC000697671989 909180371 /nfs/dbraw/zinc/18/03/71/909180371.db2.gz VUXLXUACQQOMDA-INIZCTEOSA-N 2 0 286.423 1.980 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CCC1CC1 ZINC001483097007 909333785 /nfs/dbraw/zinc/33/37/85/909333785.db2.gz HCGLCRJEEXQPJT-APHBUQMISA-N 2 0 293.455 1.923 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001483137436 909784502 /nfs/dbraw/zinc/78/45/02/909784502.db2.gz AAVVXYAPSIMIPO-UPJWGTAASA-N 2 0 275.412 1.415 10 0 CDAERP C[C@H](C[NH2+]C/C=C\Cl)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001483156934 909874168 /nfs/dbraw/zinc/87/41/68/909874168.db2.gz VBAWOAUASMOSIK-ZHRWSRJISA-N 2 0 287.835 1.708 10 0 CDAERP CCC1([NH+](C)C)CC[NH+](CCC2OCCCO2)CC1 ZINC000715240787 909927303 /nfs/dbraw/zinc/92/73/03/909927303.db2.gz RZYAWDMWXPPGNL-UHFFFAOYSA-N 2 0 270.417 1.946 10 0 CDAERP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000716076961 910112637 /nfs/dbraw/zinc/11/26/37/910112637.db2.gz UKXDRXWSPJJTFD-IYXRBSQSSA-N 2 0 290.473 1.662 10 0 CDAERP CC[N@H+](C)C[C@@H](C)NC(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC001483339520 910935487 /nfs/dbraw/zinc/93/54/87/910935487.db2.gz IMNVOHKOHVJQFB-BXUZGUMPSA-N 2 0 293.415 1.246 10 0 CDAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)CC[NH+](C)C ZINC001483383943 911027473 /nfs/dbraw/zinc/02/74/73/911027473.db2.gz YCIMZWPTQIJHIZ-AWEZNQCLSA-N 2 0 277.412 1.575 10 0 CDAERP CC[C@@H](C(=O)N(C)CCC[NH2+]CC=C(C)C)[NH+](C)C ZINC001483492395 911188970 /nfs/dbraw/zinc/18/89/70/911188970.db2.gz DUNXFJUGMMZIEE-AWEZNQCLSA-N 2 0 269.433 1.731 10 0 CDAERP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[NH+](C)[C@H]1C ZINC000922534414 921654839 /nfs/dbraw/zinc/65/48/39/921654839.db2.gz WLNPBGAWNKARCZ-FRRDWIJNSA-N 2 0 270.421 1.107 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1([NH2+]CC2CCC2)CC1 ZINC001483794884 915071217 /nfs/dbraw/zinc/07/12/17/915071217.db2.gz YCFYHCFGZUHIDZ-ZIAGYGMSSA-N 2 0 293.455 1.898 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]C[C@H]2CCCCO2)CC1 ZINC001483795502 915072844 /nfs/dbraw/zinc/07/28/44/915072844.db2.gz WCNIKZSRTNPLQE-CQSZACIVSA-N 2 0 297.443 1.134 10 0 CDAERP CC(C)C[C@H](C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001483855575 915120978 /nfs/dbraw/zinc/12/09/78/915120978.db2.gz AGMRQAXAJHQGBT-HOCLYGCPSA-N 2 0 295.471 1.905 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@]1(C)CC[NH+](CC=C(C)C)C1 ZINC001484063368 915383616 /nfs/dbraw/zinc/38/36/16/915383616.db2.gz CNQSORBLIGDKAJ-MRXNPFEDSA-N 2 0 281.444 1.875 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001485069015 916453630 /nfs/dbraw/zinc/45/36/30/916453630.db2.gz KRJUBESITZJRIS-CYBMUJFWSA-N 2 0 255.406 1.271 10 0 CDAERP CC(C)[NH2+]CC(C)(C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001485263829 916708450 /nfs/dbraw/zinc/70/84/50/916708450.db2.gz PFAKCFZFLGGHML-UHFFFAOYSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)C1C[NH+](CCCC2CCC2)C1 ZINC001409938786 919145669 /nfs/dbraw/zinc/14/56/69/919145669.db2.gz LAVHJOCPJAZJIG-CQSZACIVSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001568263315 1169207394 /nfs/dbraw/zinc/20/73/94/1169207394.db2.gz WSODOSLMDQJAKM-OLZOCXBDSA-N 2 0 255.406 1.173 10 0 CDAERP CCCC[NH2+][C@H](C)CN(C)C(=O)Cn1cncc1C ZINC001485901084 920555866 /nfs/dbraw/zinc/55/58/66/920555866.db2.gz IXAYUYIYLVVJSF-GFCCVEGCSA-N 2 0 266.389 1.428 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@]12CCC[C@H]1[NH+](CC1CC1)CC2 ZINC001486155755 920763898 /nfs/dbraw/zinc/76/38/98/920763898.db2.gz RGXGKSPNWWMHFP-WBVHZDCISA-N 2 0 293.455 1.850 10 0 CDAERP C[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CCF)C2)CC1 ZINC001486209987 920822007 /nfs/dbraw/zinc/82/20/07/920822007.db2.gz GBDLGWJQMUBJDH-TZMCWYRMSA-N 2 0 285.407 1.172 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001491019246 936843118 /nfs/dbraw/zinc/84/31/18/936843118.db2.gz XIBKHNCSQKNNRC-LJISPDSOSA-N 2 0 281.444 1.754 10 0 CDAERP CN1CC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C2(CCCCC2)C1 ZINC000923327347 923746582 /nfs/dbraw/zinc/74/65/82/923746582.db2.gz RYAVBJRTERJTRO-OAHLLOKOSA-N 2 0 293.455 1.315 10 0 CDAERP COc1ccccc1CCCN1CC[NH2+]CC[NH2+]CC1 ZINC000923460503 923847377 /nfs/dbraw/zinc/84/73/77/923847377.db2.gz UBMWXFFTQPRWCY-UHFFFAOYSA-N 2 0 277.412 1.123 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CCF)C1 ZINC001491189288 936871556 /nfs/dbraw/zinc/87/15/56/936871556.db2.gz ASWXQYXTLYKHPJ-GJZGRUSLSA-N 2 0 299.434 1.659 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)Nc2ccc(Cl)nc2)CC[C@H]1C[NH3+] ZINC000923494213 923882529 /nfs/dbraw/zinc/88/25/29/923882529.db2.gz LDVLFFSXOQTFAV-MNOVXSKESA-N 2 0 296.802 1.590 10 0 CDAERP CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001491477663 936922481 /nfs/dbraw/zinc/92/24/81/936922481.db2.gz LLNOSLYIYGMNFI-GXTWGEPZSA-N 2 0 267.417 1.508 10 0 CDAERP CCCC[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001491482739 936923307 /nfs/dbraw/zinc/92/33/07/936923307.db2.gz YRJPJJNIQHLZPL-LBPRGKRZSA-N 2 0 255.406 1.365 10 0 CDAERP CC[C@@H](C(=O)N(CC)CC[NH2+]CC(C)C)[NH+](C)C ZINC001273710056 924772015 /nfs/dbraw/zinc/77/20/15/924772015.db2.gz HNIIHKUZVFIYQQ-ZDUSSCGKSA-N 2 0 257.422 1.421 10 0 CDAERP CN(C(=O)[C@H]1CCCC[C@H]1[NH3+])c1cc(C[NH3+])ccn1 ZINC001119621669 925439750 /nfs/dbraw/zinc/43/97/50/925439750.db2.gz OTZPKPHQIZCBBT-NWDGAFQWSA-N 2 0 262.357 1.021 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001488878181 926747735 /nfs/dbraw/zinc/74/77/35/926747735.db2.gz GLAUHBAMXPVVBO-YIYPIFLZSA-N 2 0 285.407 1.171 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CC2CC2)[C@H]1C ZINC001410921600 926767500 /nfs/dbraw/zinc/76/75/00/926767500.db2.gz HRDVHSXTVYTXHD-ZFWWWQNUSA-N 2 0 281.444 1.706 10 0 CDAERP COC[C@H](C)[N@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001437993528 926926151 /nfs/dbraw/zinc/92/61/51/926926151.db2.gz SLSUDDHKWKOPSH-LSDHHAIUSA-N 2 0 299.459 1.142 10 0 CDAERP C[N@@H+](C/C=C\Cl)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001490280344 927071758 /nfs/dbraw/zinc/07/17/58/927071758.db2.gz XFSQCMNFSCVCCD-RYBZSIHZSA-N 2 0 273.808 1.129 10 0 CDAERP C[NH+](C)CCC[C@@H]1CN(CC[NH+]2CCCC2)CCO1 ZINC000852760407 927864574 /nfs/dbraw/zinc/86/45/74/927864574.db2.gz FMTXHAJATMKKPY-OAHLLOKOSA-N 2 0 269.433 1.125 10 0 CDAERP C[C@](O)(C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)C(F)(F)F ZINC000698593097 937295835 /nfs/dbraw/zinc/29/58/35/937295835.db2.gz UDHBROHBGGTSRR-YIZRAAEISA-N 2 0 252.280 1.159 10 0 CDAERP CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@@H](C)CC[NH+](C)C ZINC001136756967 931336445 /nfs/dbraw/zinc/33/64/45/931336445.db2.gz WXZZFQALROKXCF-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP CC[C@H](C(=O)NC/C=C/C[NH2+]Cc1cccnc1)[NH+](C)C ZINC001274508237 931505241 /nfs/dbraw/zinc/50/52/41/931505241.db2.gz HHHUFHSHUNCKCL-LLYBFZRZSA-N 2 0 290.411 1.184 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC001143740982 931532218 /nfs/dbraw/zinc/53/22/18/931532218.db2.gz HFLVGYXGGILEIL-CHWSQXEVSA-N 2 0 255.406 1.127 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C[NH2+]CC1CC(C)C1)[NH+](C)C ZINC001275203621 931697172 /nfs/dbraw/zinc/69/71/72/931697172.db2.gz VXRNLMVILNCVOB-GNRIBBGQSA-N 2 0 269.433 1.467 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001275273739 931721623 /nfs/dbraw/zinc/72/16/23/931721623.db2.gz ISCOPJGLKWBJBP-KBPBESRZSA-N 2 0 267.417 1.531 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001275285614 931724198 /nfs/dbraw/zinc/72/41/98/931724198.db2.gz ACONQSCTZNBBKM-ZDUSSCGKSA-N 2 0 267.417 1.389 10 0 CDAERP CC(C)[NH2+]C[C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001275334413 931738599 /nfs/dbraw/zinc/73/85/99/931738599.db2.gz MGJOPDJBCDBKKM-UONOGXRCSA-N 2 0 269.433 1.754 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCC1 ZINC001411644941 931940089 /nfs/dbraw/zinc/94/00/89/931940089.db2.gz RRCLENDQMCROAY-UONOGXRCSA-N 2 0 279.428 1.604 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+](C(C)C)C2)C1 ZINC001411664193 931948156 /nfs/dbraw/zinc/94/81/56/931948156.db2.gz CUFDHGLZWYFVHF-HUUCEWRRSA-N 2 0 281.444 1.565 10 0 CDAERP [NH3+]CCCCCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000846228247 931999187 /nfs/dbraw/zinc/99/91/87/931999187.db2.gz KZHTVGWVLGTATC-OAGGEKHMSA-N 3 0 283.460 1.866 10 0 CDAERP CCN1C[C@H](C[NH+]2CCC(C[NH+](CC)CC)CC2)OC1=O ZINC000846773069 932132737 /nfs/dbraw/zinc/13/27/37/932132737.db2.gz FAJMOLHJOXLNCJ-HNNXBMFYSA-N 2 0 297.443 1.881 10 0 CDAERP C[NH2+]CCCCC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000719712390 932231990 /nfs/dbraw/zinc/23/19/90/932231990.db2.gz VLOHCSFLRAHNJM-ZDUSSCGKSA-N 2 0 255.406 1.224 10 0 CDAERP [NH3+]CCCCNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC001118506992 937634808 /nfs/dbraw/zinc/63/48/08/937634808.db2.gz VUVMRGAHWLFOQU-CQSZACIVSA-N 2 0 275.396 1.534 10 0 CDAERP C(C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)CN1CCOCC1 ZINC000925494363 932892652 /nfs/dbraw/zinc/89/26/52/932892652.db2.gz OJYLDGBCWVKFCZ-IAGOWNOFSA-N 2 0 295.471 1.467 10 0 CDAERP CC1(C)[C@@H]([NH2+]CCCO[C@@H]2CCOC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925553528 932903807 /nfs/dbraw/zinc/90/38/07/932903807.db2.gz TXHIEIOORPTHQT-KBXIAJHMSA-N 2 0 282.428 1.548 10 0 CDAERP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000925777460 932937951 /nfs/dbraw/zinc/93/79/51/932937951.db2.gz PAGGFJBMLHIBPL-QJPTWQEYSA-N 2 0 262.344 1.778 10 0 CDAERP Cc1ccc2c(c1)[C@@H]([NH2+]CCN1CCC([NH3+])CC1)CC2 ZINC000925810404 932940806 /nfs/dbraw/zinc/94/08/06/932940806.db2.gz NETUNFIJAFOWEP-KRWDZBQOSA-N 2 0 273.424 1.995 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000926797577 933024503 /nfs/dbraw/zinc/02/45/03/933024503.db2.gz UQSXQHYZROMYEJ-OLXYTISPSA-N 2 0 278.440 1.979 10 0 CDAERP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H]1CCC3(COC3)O1)C2 ZINC000930601803 933410603 /nfs/dbraw/zinc/41/06/03/933410603.db2.gz KCHYDOPWSIZOHU-HUUCEWRRSA-N 2 0 280.412 1.352 10 0 CDAERP C[C@@H](Cn1cccn1)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC001119629735 937741406 /nfs/dbraw/zinc/74/14/06/937741406.db2.gz SZQACGBYWFWCSE-QWRGUYRKSA-N 2 0 258.316 1.106 10 0 CDAERP CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001412794499 934362340 /nfs/dbraw/zinc/36/23/40/934362340.db2.gz WHNTWLXIAYFNFI-OWCLPIDISA-N 2 0 293.455 1.802 10 0 CDAERP CN1CCC[C@@H]1C[N@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250597358 934985604 /nfs/dbraw/zinc/98/56/04/934985604.db2.gz JBOBGYKTUWJYHY-WTXIUTQJSA-N 2 0 265.445 1.933 10 0 CDAERP C[NH+](C)C1(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)CCCC1 ZINC001413418063 936023922 /nfs/dbraw/zinc/02/39/22/936023922.db2.gz ZMNZJMDGYXJBIN-UONOGXRCSA-N 2 0 279.428 1.413 10 0 CDAERP C[C@H](CC[NH2+]CCCO)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001568685210 1169430967 /nfs/dbraw/zinc/43/09/67/1169430967.db2.gz SCKRYLXAEIXBTQ-HUUCEWRRSA-N 2 0 299.459 1.118 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C1CC1 ZINC001276648325 940598179 /nfs/dbraw/zinc/59/81/79/940598179.db2.gz KQIGXVCBGMEKHU-AWEZNQCLSA-N 2 0 267.417 1.389 10 0 CDAERP CC(C)[NH+]1CCC([NH2+][C@@H](C)C2CC[NH2+]CC2)CC1 ZINC000400726525 940854672 /nfs/dbraw/zinc/85/46/72/940854672.db2.gz HUQGJEKPWAFBQY-ZDUSSCGKSA-N 3 0 253.434 1.837 10 0 CDAERP C[N@H+](CCN[C@H]1C[C@H]([NH3+])C12CCC2)C1CCCC1 ZINC000405364716 940985214 /nfs/dbraw/zinc/98/52/14/940985214.db2.gz VUVRKDVEFTZALD-KBPBESRZSA-N 2 0 251.418 1.720 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCCOC ZINC001276980815 941771013 /nfs/dbraw/zinc/77/10/13/941771013.db2.gz WTZPCRVLOREMOQ-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP C[C@H](CCC[NH2+]C/C=C\Cl)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001277356691 942419950 /nfs/dbraw/zinc/41/99/50/942419950.db2.gz WJVUGVSCEYSLMJ-ACOKAEEESA-N 2 0 287.835 1.565 10 0 CDAERP CC[NH2+]C[C@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001280462467 942447282 /nfs/dbraw/zinc/44/72/82/942447282.db2.gz ULDNNNWYVWGIOT-CYBMUJFWSA-N 2 0 255.406 1.317 10 0 CDAERP CCN(CC[NH2+]CC1CCCCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001568797400 1169478155 /nfs/dbraw/zinc/47/81/55/1169478155.db2.gz FIPRTUMCEFCTCK-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1[NH2+]CCC1CC1 ZINC001281459067 942579923 /nfs/dbraw/zinc/57/99/23/942579923.db2.gz SITSECPUXDPGRD-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](C(=O)NC1CC(C[NH2+]CCCF)C1)[NH+](C)C ZINC001282066475 942653990 /nfs/dbraw/zinc/65/39/90/942653990.db2.gz LDERKXWNAKHYJG-BPCQOVAHSA-N 2 0 273.396 1.171 10 0 CDAERP CCC[NH2+][C@@H](C)[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001282241413 942683402 /nfs/dbraw/zinc/68/34/02/942683402.db2.gz LBVVIQNQAUBFDJ-KBPBESRZSA-N 2 0 269.433 1.755 10 0 CDAERP CCOCC[N@@H+]1CCCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001282675869 942738140 /nfs/dbraw/zinc/73/81/40/942738140.db2.gz PMNGAMKNVJQWSL-HNNXBMFYSA-N 2 0 299.459 1.335 10 0 CDAERP C[C@@H](CCC[NH2+]CC1CC1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001283241108 942865218 /nfs/dbraw/zinc/86/52/18/942865218.db2.gz YJQSCDQLSFQIHH-KBPBESRZSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@H](CN(C)C(=O)C[N@H+](C)C1CCC1)[NH2+]CCCF ZINC001277844780 943795603 /nfs/dbraw/zinc/79/56/03/943795603.db2.gz JPYZSSVUNODARP-GFCCVEGCSA-N 2 0 273.396 1.267 10 0 CDAERP C[NH+](C)CC1(C(=O)NC[C@H]2C[C@H]([NH2+]CCCF)C2)CC1 ZINC001263872088 944015728 /nfs/dbraw/zinc/01/57/28/944015728.db2.gz YVGQDQCNHCGAPP-JOCQHMNTSA-N 2 0 285.407 1.172 10 0 CDAERP CCCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C ZINC001264733837 944171498 /nfs/dbraw/zinc/17/14/98/944171498.db2.gz RAVPMHKFYHQWNC-KGLIPLIRSA-N 2 0 269.433 1.706 10 0 CDAERP C[NH+](C)C1(C(=O)NCCC[N@@H+](C)CC2CCC2)CCC1 ZINC001264994658 944196329 /nfs/dbraw/zinc/19/63/29/944196329.db2.gz FDTAWMAIUFKDOA-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CCOCC[NH+]1CCC(N(C)C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001265200122 944267789 /nfs/dbraw/zinc/26/77/89/944267789.db2.gz JPHWBRBZRYZLBB-OAHLLOKOSA-N 2 0 299.459 1.286 10 0 CDAERP C[C@@H]1[C@H](C(=O)NC[C@H]([NH2+]CCCF)C2CC2)CC[N@@H+]1C ZINC001265355595 944358000 /nfs/dbraw/zinc/35/80/00/944358000.db2.gz ANSCVISHWPULHO-BNOWGMLFSA-N 2 0 285.407 1.171 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1C[C@H]([NH2+]C[C@@H](C)CC)C1)[NH+](C)C ZINC001265566394 944431744 /nfs/dbraw/zinc/43/17/44/944431744.db2.gz GPOBJFYUJLKOCO-IGQOVBAYSA-N 2 0 269.433 1.610 10 0 CDAERP C[NH+](C)C1(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CCCC1 ZINC001362258752 971086058 /nfs/dbraw/zinc/08/60/58/971086058.db2.gz DVPOWZYONRASHD-OAHLLOKOSA-N 2 0 293.455 1.948 10 0 CDAERP CC[C@@H](C(=O)NC[C@H](C)[NH2+]CC1=CCCCC1)[NH+](C)C ZINC001265827791 944528524 /nfs/dbraw/zinc/52/85/24/944528524.db2.gz YCFDNABBQPYDDX-ZFWWWQNUSA-N 2 0 281.444 1.921 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]CC=C(C)C ZINC001277994906 944539044 /nfs/dbraw/zinc/53/90/44/944539044.db2.gz KRXPDAOHDNIGQX-CQSZACIVSA-N 2 0 269.433 1.731 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001265923040 944574281 /nfs/dbraw/zinc/57/42/81/944574281.db2.gz MHZDSWWIQNOHTH-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001266069560 944663544 /nfs/dbraw/zinc/66/35/44/944663544.db2.gz XKOVJUSQLOVXGL-ZIAGYGMSSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)CC[NH+]2CC[C@@H](F)C2)C[N@@H+]1C1CC1 ZINC001362281096 971111622 /nfs/dbraw/zinc/11/16/22/971111622.db2.gz KUQCNXOEXKJRRY-JHJVBQTASA-N 2 0 283.391 1.162 10 0 CDAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)CC[NH+](C)C ZINC001362423549 971257375 /nfs/dbraw/zinc/25/73/75/971257375.db2.gz BZULOYPNDYIXBG-ZNMIVQPWSA-N 2 0 281.444 1.659 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC001362434716 971269131 /nfs/dbraw/zinc/26/91/31/971269131.db2.gz ZKEXMVBWCHMETF-UHFFFAOYSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H](C[NH+](C)C)NC(=O)c1cccc(CC[NH+](C)C)c1 ZINC001362519414 971365173 /nfs/dbraw/zinc/36/51/73/971365173.db2.gz GGFSOOVQWAJKPO-ZDUSSCGKSA-N 2 0 277.412 1.471 10 0 CDAERP CC[N@H+](C)CCCNC(=O)CCC[NH+]1CCCC1 ZINC001479815213 971433618 /nfs/dbraw/zinc/43/36/18/971433618.db2.gz BKTPFBJFBURWII-UHFFFAOYSA-N 2 0 255.406 1.320 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001362667180 971509638 /nfs/dbraw/zinc/50/96/38/971509638.db2.gz QHTHDSZKOBNYSQ-GJZGRUSLSA-N 2 0 283.460 1.907 10 0 CDAERP CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001480022318 971542474 /nfs/dbraw/zinc/54/24/74/971542474.db2.gz DSHJFXVNKWRTHB-HOTGVXAUSA-N 2 0 293.455 1.898 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCC(C)C)C1)[NH+](C)C ZINC001480147109 971601493 /nfs/dbraw/zinc/60/14/93/971601493.db2.gz MZPZAYUDXRKAAK-MGPQQGTHSA-N 2 0 269.433 1.610 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCc1cccs1 ZINC001480436988 971726585 /nfs/dbraw/zinc/72/65/85/971726585.db2.gz AXYNIIMYZHDNQB-JSGCOSHPSA-N 2 0 295.452 1.479 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CCCC1 ZINC001362950219 971753982 /nfs/dbraw/zinc/75/39/82/971753982.db2.gz VPGQQBSNQXGFJH-CYBMUJFWSA-N 2 0 281.444 1.850 10 0 CDAERP CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C(C)(C)C1 ZINC001362974701 971778213 /nfs/dbraw/zinc/77/82/13/971778213.db2.gz WZVLXVHKVXSVMP-ILXRZTDVSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001480597728 971799916 /nfs/dbraw/zinc/79/99/16/971799916.db2.gz SYPZYOFHNYGLPD-KBPBESRZSA-N 2 0 299.459 1.236 10 0 CDAERP COCCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001493123215 971954084 /nfs/dbraw/zinc/95/40/84/971954084.db2.gz JCWDZNGTHUNUDW-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CCOCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001493235225 971991882 /nfs/dbraw/zinc/99/18/82/971991882.db2.gz FBLPWZTZHJTEGV-LSDHHAIUSA-N 2 0 299.459 1.047 10 0 CDAERP CC1CC[NH+](CC(=O)N[C@@H]2C[C@H]([NH+](C)C)C23CCC3)CC1 ZINC001364190377 954304419 /nfs/dbraw/zinc/30/44/19/954304419.db2.gz DEDRDYSPWVGAQO-CABCVRRESA-N 2 0 293.455 1.707 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CCC2CC2)C1 ZINC001326760951 954533043 /nfs/dbraw/zinc/53/30/43/954533043.db2.gz YBDGXFDPXXGDNY-HZPDHXFCSA-N 2 0 293.455 1.709 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CC2)C1 ZINC001316659400 954780542 /nfs/dbraw/zinc/78/05/42/954780542.db2.gz JKXNYDRSCHSREC-UONOGXRCSA-N 2 0 267.417 1.223 10 0 CDAERP OC1(C[NH+]2CCCCC2)CC[NH+](CCn2ccnc2)CC1 ZINC001364548797 954780610 /nfs/dbraw/zinc/78/06/10/954780610.db2.gz SYMISRPRFORNLS-UHFFFAOYSA-N 2 0 292.427 1.196 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CCC([NH+]3CCC3)CC2)C1 ZINC001363289497 972056194 /nfs/dbraw/zinc/05/61/94/972056194.db2.gz YYZKPGVBORZHJV-GDBMZVCRSA-N 2 0 293.455 1.804 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]CCCF ZINC001328458671 955300771 /nfs/dbraw/zinc/30/07/71/955300771.db2.gz IJZXGKODOKRJSD-UONOGXRCSA-N 2 0 287.423 1.705 10 0 CDAERP CC[N@H+](C)[C@@H](C(=O)NC[C@H](C)[NH2+]CCF)c1ccccc1 ZINC001491640116 955338473 /nfs/dbraw/zinc/33/84/73/955338473.db2.gz PCUXGYDBJSJKIL-DZGCQCFKSA-N 2 0 295.402 1.743 10 0 CDAERP CCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001491733054 955398827 /nfs/dbraw/zinc/39/88/27/955398827.db2.gz XNYKLIDATDCBIO-LSDHHAIUSA-N 2 0 281.444 1.851 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001491847362 955467796 /nfs/dbraw/zinc/46/77/96/955467796.db2.gz GQILPONWQJUIRY-HOTGVXAUSA-N 2 0 293.455 1.733 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@]2(CC[N@H+](CCCF)C2)C1 ZINC001421954084 955672208 /nfs/dbraw/zinc/67/22/08/955672208.db2.gz GLZVVRRCPMAJDQ-INIZCTEOSA-N 2 0 299.434 1.612 10 0 CDAERP CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCN(c2cc[nH+]cc2)C1 ZINC001365215367 955734848 /nfs/dbraw/zinc/73/48/48/955734848.db2.gz RAIHPKQAVONVGM-DZGCQCFKSA-N 2 0 288.395 1.118 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001492390050 955856805 /nfs/dbraw/zinc/85/68/05/955856805.db2.gz ULQURGOQQIAILP-GFCCVEGCSA-N 2 0 273.396 1.124 10 0 CDAERP O=C1CCCN1CC[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001329492115 955949071 /nfs/dbraw/zinc/94/90/71/955949071.db2.gz ZSYCEKBHXIZFPI-UHFFFAOYSA-N 2 0 265.401 1.074 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)CC1CC(C)(C)C1 ZINC001422477844 956060044 /nfs/dbraw/zinc/06/00/44/956060044.db2.gz GKGWGJWAMVFSNX-UKRRQHHQSA-N 2 0 295.471 1.953 10 0 CDAERP C[NH2+][C@@H](C)CCNC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC001329925346 956182736 /nfs/dbraw/zinc/18/27/36/956182736.db2.gz GSXNHSBGRHSDMI-SMDDNHRTSA-N 2 0 261.369 1.335 10 0 CDAERP C[C@@H](C[NH2+]Cc1cccnc1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001422652001 956232570 /nfs/dbraw/zinc/23/25/70/956232570.db2.gz UWMDJIMHIIQNMY-GZBFAFLISA-N 2 0 290.411 1.016 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCC(C)(C)C)C1)[NH+](C)C ZINC001365986839 956491375 /nfs/dbraw/zinc/49/13/75/956491375.db2.gz FAOFSQIRWNRJGP-KBPBESRZSA-N 2 0 283.460 1.953 10 0 CDAERP CCC[NH2+]C[C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001330609430 956513854 /nfs/dbraw/zinc/51/38/54/956513854.db2.gz CTTKUNCFGJDTBF-JOCQHMNTSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)N[C@@]2(C)C[NH+]3CCC2CC3)C1 ZINC001363475988 972193774 /nfs/dbraw/zinc/19/37/74/972193774.db2.gz OSGGVGPIDSCYSU-PBHICJAKSA-N 2 0 293.455 1.707 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001366114999 956575846 /nfs/dbraw/zinc/57/58/46/956575846.db2.gz DOZIQNJREWHCGX-AJNGGQMLSA-N 2 0 283.460 1.856 10 0 CDAERP Cc1ccccc1C[NH2+][C@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001423101800 956585892 /nfs/dbraw/zinc/58/58/92/956585892.db2.gz GHPXCPJHGSFRLE-OAHLLOKOSA-N 2 0 291.439 1.883 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001366126823 956585964 /nfs/dbraw/zinc/58/59/64/956585964.db2.gz XLPJULWCTNXZLR-XDQVBPFNSA-N 2 0 287.423 1.558 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]1CC[C@H](C)F ZINC001423132592 956614542 /nfs/dbraw/zinc/61/45/42/956614542.db2.gz ACDLFMKOWXZARU-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]C/C=C/Cl)C1)[NH+](C)C ZINC001366166927 956615628 /nfs/dbraw/zinc/61/56/28/956615628.db2.gz FPZGLJYJVZODHM-NIJZVALHSA-N 2 0 273.808 1.316 10 0 CDAERP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cncs1 ZINC001423165661 956640271 /nfs/dbraw/zinc/64/02/71/956640271.db2.gz JDWWVUINQMXOHR-VXGBXAGGSA-N 2 0 296.440 1.031 10 0 CDAERP COC[C@H](C)[NH2+]C1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001366245725 956662229 /nfs/dbraw/zinc/66/22/29/956662229.db2.gz VYFLONVQIQPPKA-NFOMZHRRSA-N 2 0 297.443 1.134 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001494319538 972210494 /nfs/dbraw/zinc/21/04/94/972210494.db2.gz UFSYPJLUKBJOMH-KBPBESRZSA-N 2 0 267.417 1.461 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC2CC2)C[C@@H]1C ZINC001423446900 956788585 /nfs/dbraw/zinc/78/85/85/956788585.db2.gz CNGIKOAOTSZYOP-DZGCQCFKSA-N 2 0 281.444 1.706 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]Cc2ccon2)CCN1C(=O)CC[NH+](C)C ZINC001423457271 956793220 /nfs/dbraw/zinc/79/32/20/956793220.db2.gz HHHQLSXDUCOXDC-OLZOCXBDSA-N 2 0 294.399 1.095 10 0 CDAERP CC[N@H+](C)CCOCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001331134381 956842620 /nfs/dbraw/zinc/84/26/20/956842620.db2.gz VTRCPBUBEZKSPJ-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP COc1nc(Cl)c(C[NH2+]CCC2(C[NH3+])CC2)n1C ZINC001328643737 956897191 /nfs/dbraw/zinc/89/71/91/956897191.db2.gz SOQGUZRVHJHSFP-UHFFFAOYSA-N 2 0 272.780 1.301 10 0 CDAERP CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001423679301 956936439 /nfs/dbraw/zinc/93/64/39/956936439.db2.gz HLKNZKWQZAJVEO-HOCLYGCPSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]CC1CCC1 ZINC001424078510 957111712 /nfs/dbraw/zinc/11/17/12/957111712.db2.gz UUFULOWHIOKUTH-HIFRSBDPSA-N 2 0 281.444 1.422 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001316987577 957185731 /nfs/dbraw/zinc/18/57/31/957185731.db2.gz UNEAZHGAVPVYCF-YIEVGGLXSA-N 2 0 293.455 1.875 10 0 CDAERP CCCC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001317026019 957211230 /nfs/dbraw/zinc/21/12/30/957211230.db2.gz KWLONQNJYAWPIZ-UONOGXRCSA-N 2 0 267.417 1.365 10 0 CDAERP COCC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001317057142 957234257 /nfs/dbraw/zinc/23/42/57/957234257.db2.gz AQQLSTGTAWAGHU-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1CCC[NH+](CC2CC2)C1 ZINC001366904592 957261795 /nfs/dbraw/zinc/26/17/95/957261795.db2.gz UUNZUVTYCGTZHT-HOTGVXAUSA-N 2 0 293.455 1.851 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001317158982 957311753 /nfs/dbraw/zinc/31/17/53/957311753.db2.gz WEOPFMKJEHEWTL-HNNXBMFYSA-N 2 0 283.460 1.957 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H](C[NH2+]CCF)C2)C1 ZINC001317164620 957313143 /nfs/dbraw/zinc/31/31/43/957313143.db2.gz ZDYCCFVTTIRYDK-KBPBESRZSA-N 2 0 285.407 1.126 10 0 CDAERP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001331912739 957330264 /nfs/dbraw/zinc/33/02/64/957330264.db2.gz ZOYYHBIPETUCAG-OLZOCXBDSA-N 2 0 265.401 1.071 10 0 CDAERP CC(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001317191946 957334442 /nfs/dbraw/zinc/33/44/42/957334442.db2.gz LDWWHDOAPNAKJS-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CCCC[NH2+][C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001317247177 957378448 /nfs/dbraw/zinc/37/84/48/957378448.db2.gz OJZCPZHUUUWTOO-CQSZACIVSA-N 2 0 281.444 1.757 10 0 CDAERP CC(C)=CC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001317305850 957414744 /nfs/dbraw/zinc/41/47/44/957414744.db2.gz OIHXZYBAASUXGN-GJZGRUSLSA-N 2 0 279.428 1.485 10 0 CDAERP O=C(CCCC[NH+]1CCCC1)NC[C@H]1CC[N@@H+](CCF)C1 ZINC001317535798 957533935 /nfs/dbraw/zinc/53/39/35/957533935.db2.gz KNJOKZYSHDYFCF-OAHLLOKOSA-N 2 0 299.434 1.660 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001425492375 957542618 /nfs/dbraw/zinc/54/26/18/957542618.db2.gz KOBGEJBAKRGGCT-HOCLYGCPSA-N 2 0 295.471 1.811 10 0 CDAERP CC(C)[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)CCC1CC1 ZINC001317709058 957645241 /nfs/dbraw/zinc/64/52/41/957645241.db2.gz RQNQLKYORXCAQF-INIZCTEOSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]C/C=C\Cl ZINC001367108517 957676602 /nfs/dbraw/zinc/67/66/02/957676602.db2.gz WZVIZQXCSGBKAK-YVNFWLBFSA-N 2 0 287.835 1.708 10 0 CDAERP CN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC([NH2+]C/C=C\Cl)C1 ZINC001426222779 957848035 /nfs/dbraw/zinc/84/80/35/957848035.db2.gz JBLDPUQLWRBKBX-OTDALMJOSA-N 2 0 299.846 1.660 10 0 CDAERP CC(C)[C@@H](C(=O)NC[C@H](C)C[NH2+]CC1CC1)[NH+]1CCCC1 ZINC001367288547 957909350 /nfs/dbraw/zinc/90/93/50/957909350.db2.gz NWESZVCZXUSDED-ZBFHGGJFSA-N 2 0 295.471 1.859 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC=C(C)C ZINC001318561201 958174306 /nfs/dbraw/zinc/17/43/06/958174306.db2.gz GSNTWKKUWGCYQX-CABCVRRESA-N 2 0 281.444 1.921 10 0 CDAERP CC[N@H+](C)CCC(=O)NCC[NH+](C)C[C@H]1CC(C)(C)CO1 ZINC001492484134 958204034 /nfs/dbraw/zinc/20/40/34/958204034.db2.gz NFTHPPVMBRUKAA-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[NH2+]CC1(NC(=O)CC[N@H+](C)CC)CCCC1 ZINC001318663478 958217008 /nfs/dbraw/zinc/21/70/08/958217008.db2.gz GDRVKOMTASTRNA-UHFFFAOYSA-N 2 0 269.433 1.757 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccncc1Cl)NC(=O)CC[NH+](C)C ZINC001367752257 958299050 /nfs/dbraw/zinc/29/90/50/958299050.db2.gz GGXXTEIVORAVSQ-NSHDSACASA-N 2 0 298.818 1.281 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@H](C[NH2+]CC2CC2)C2CC2)C1 ZINC001367923426 958477284 /nfs/dbraw/zinc/47/72/84/958477284.db2.gz SIXLNUPPDOVQOV-DZGCQCFKSA-N 2 0 279.428 1.223 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CC[NH+]2CCC(C)(C)C)C1 ZINC001367986433 958550851 /nfs/dbraw/zinc/55/08/51/958550851.db2.gz SWHAPGXEJYLMLN-HUUCEWRRSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)CC[NH2+]C1(CNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001368002026 958569606 /nfs/dbraw/zinc/56/96/06/958569606.db2.gz DPCKVGPEUPPIQR-UHFFFAOYSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]CC[C@H](C)F ZINC001319592065 958643293 /nfs/dbraw/zinc/64/32/93/958643293.db2.gz GQGYPPCQWFZSPN-QWHCGFSZSA-N 2 0 275.412 1.511 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[NH+](CC1CC1)C2 ZINC001368326417 958767021 /nfs/dbraw/zinc/76/70/21/958767021.db2.gz MBIFLZHNHTVBRK-XHSDSOJGSA-N 2 0 293.455 1.706 10 0 CDAERP CC(C)C[NH2+][C@H](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001368351481 958783140 /nfs/dbraw/zinc/78/31/40/958783140.db2.gz ZITBBAPKKOSZMC-CABCVRRESA-N 2 0 281.444 1.565 10 0 CDAERP CCC[NH2+][C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C(C)C ZINC001319943288 958801969 /nfs/dbraw/zinc/80/19/69/958801969.db2.gz HNERVMFLQDMLLC-UONOGXRCSA-N 2 0 269.433 1.469 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](CC)[NH2+]CCF)C1 ZINC001495040968 972386661 /nfs/dbraw/zinc/38/66/61/972386661.db2.gz IOMPREPSIGZWDD-ZIAGYGMSSA-N 2 0 287.423 1.562 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001368522346 958924200 /nfs/dbraw/zinc/92/42/00/958924200.db2.gz MENLFIQOWNBWAR-KFWWJZLASA-N 2 0 293.455 1.613 10 0 CDAERP CCC1([NH2+]CCF)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001368591219 958984833 /nfs/dbraw/zinc/98/48/33/958984833.db2.gz CAHSDPJFACJNNE-UHFFFAOYSA-N 2 0 287.423 1.659 10 0 CDAERP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCC(C)(C)C ZINC001368748561 959103141 /nfs/dbraw/zinc/10/31/41/959103141.db2.gz MMRWLAJPMGXUAI-UONOGXRCSA-N 2 0 283.460 1.859 10 0 CDAERP C[NH+](C)CCC(=O)NC1CC(C[NH2+]Cc2cccnc2)C1 ZINC001368820255 959154444 /nfs/dbraw/zinc/15/44/44/959154444.db2.gz GAXMVFIZKNHKAH-UHFFFAOYSA-N 2 0 290.411 1.018 10 0 CDAERP CC(C)C[NH2+]CC1CC(NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001368821848 959156480 /nfs/dbraw/zinc/15/64/80/959156480.db2.gz JCMZQBHIUCWYJZ-NRXISQOPSA-N 2 0 283.460 1.713 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cncs1 ZINC001368898556 959236436 /nfs/dbraw/zinc/23/64/36/959236436.db2.gz VPJQDQWFXGMHBO-VXGBXAGGSA-N 2 0 298.456 1.468 10 0 CDAERP C[C@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]Cc1cccnc1 ZINC001368914905 959248286 /nfs/dbraw/zinc/24/82/86/959248286.db2.gz OWDUFDZTHCTHON-KBPBESRZSA-N 2 0 290.411 1.160 10 0 CDAERP CCN(CC[NH2+]CC1CC1)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001320927673 959463308 /nfs/dbraw/zinc/46/33/08/959463308.db2.gz AVMBKNHNUGLGGD-OKILXGFUSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H](C[NH2+]CCC(F)(F)F)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001321616590 959872022 /nfs/dbraw/zinc/87/20/22/959872022.db2.gz BECIATGNSBMPCL-MNOVXSKESA-N 2 0 295.349 1.517 10 0 CDAERP Cc1ccncc1C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001370010305 959956498 /nfs/dbraw/zinc/95/64/98/959956498.db2.gz CGSMNBLATQWUIE-OAHLLOKOSA-N 2 0 290.411 1.032 10 0 CDAERP CC[C@@H](F)C[NH2+][C@@H](CNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001370169087 960015323 /nfs/dbraw/zinc/01/53/23/960015323.db2.gz PHZRCHHTRUNIBB-KGLIPLIRSA-N 2 0 299.434 1.703 10 0 CDAERP CC(C)C[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001370197863 960021582 /nfs/dbraw/zinc/02/15/82/960021582.db2.gz GLMPVBJYTWSXTL-CABCVRRESA-N 2 0 281.444 1.611 10 0 CDAERP CCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1CCC ZINC001322167806 960118319 /nfs/dbraw/zinc/11/83/19/960118319.db2.gz GDBWNWVVPQMGGV-KGLIPLIRSA-N 2 0 269.433 1.707 10 0 CDAERP CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001495395811 972486853 /nfs/dbraw/zinc/48/68/53/972486853.db2.gz IICDJDSKZZXUSZ-KGLIPLIRSA-N 2 0 267.417 1.176 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]C/C=C\Cl)C1CC1 ZINC001323046798 960420483 /nfs/dbraw/zinc/42/04/83/960420483.db2.gz JRQUOROKMRKRME-VOYABRKTSA-N 2 0 285.819 1.318 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]C/C=C\Cl)C2CC2)C1 ZINC001323109415 960459673 /nfs/dbraw/zinc/45/96/73/960459673.db2.gz SDSXRGHJYXIMSG-DMZSZWBSSA-N 2 0 285.819 1.175 10 0 CDAERP CC[N@@H+]1CC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001323247419 960585080 /nfs/dbraw/zinc/58/50/80/960585080.db2.gz UYWDLVBAJRLGMB-QWHCGFSZSA-N 2 0 253.390 1.071 10 0 CDAERP O=C(NCC1([NH2+]CCCF)CC1)[C@H]1CCn2cncc2C1 ZINC001323479965 960763132 /nfs/dbraw/zinc/76/31/32/960763132.db2.gz ONEFSTTXYVCBHE-LBPRGKRZSA-N 2 0 294.374 1.044 10 0 CDAERP CC(C)CC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001418630840 960824837 /nfs/dbraw/zinc/82/48/37/960824837.db2.gz PFSKGHDEQNDAFB-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1)[NH+]1CCCC1 ZINC001418697651 960915012 /nfs/dbraw/zinc/91/50/12/960915012.db2.gz JNBNNESDBSPEBP-HOTGVXAUSA-N 2 0 295.471 1.953 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)NC(=O)CC[NH+]1CC[C@H](F)C1 ZINC001434102004 960981653 /nfs/dbraw/zinc/98/16/53/960981653.db2.gz ZXSGLDUQHINGJS-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CC[N@@H+]1CC[C@H](CCNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001418893412 961139062 /nfs/dbraw/zinc/13/90/62/961139062.db2.gz GAEIUJSDPKOQTJ-HNNXBMFYSA-N 2 0 293.455 1.711 10 0 CDAERP CC(C)C[NH+]1CCC(N(C)C(=O)C[N@H+](C)C(C)C)CC1 ZINC001419092107 961367176 /nfs/dbraw/zinc/36/71/76/961367176.db2.gz UHDYZWCJMLPKQG-UHFFFAOYSA-N 2 0 283.460 1.905 10 0 CDAERP CC[C@@H](C[N@@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)C)C1)OC ZINC001419145950 961426304 /nfs/dbraw/zinc/42/63/04/961426304.db2.gz GWLFZJCRPODRFD-CABCVRRESA-N 2 0 299.459 1.286 10 0 CDAERP CC[C@H](F)C[NH2+][C@@H](CC)CNC(=O)C1([NH+](C)C)CCC1 ZINC001419192899 961490398 /nfs/dbraw/zinc/49/03/98/961490398.db2.gz RGYUCTZMACIXHS-STQMWFEESA-N 2 0 287.423 1.703 10 0 CDAERP CCC1([NH+](C)C)CCN(CCN2CCOC[C@H]2C)CC1 ZINC001434481177 961495511 /nfs/dbraw/zinc/49/55/11/961495511.db2.gz BSLRCZZAJDBMGI-OAHLLOKOSA-N 2 0 283.460 1.513 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001419463026 961738217 /nfs/dbraw/zinc/73/82/17/961738217.db2.gz RUGOFGUXAFDXKS-CQEMYWFJSA-N 2 0 271.792 1.070 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCCC[NH+]2CC2CC2)C1 ZINC001419612468 961870328 /nfs/dbraw/zinc/87/03/28/961870328.db2.gz YPAVKVDNFBQSPI-GOEBONIOSA-N 2 0 293.455 1.709 10 0 CDAERP C[C@@H](C[NH2+]CC1CCCCC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001419743855 962064088 /nfs/dbraw/zinc/06/40/88/962064088.db2.gz IZRFRIRLUIHAKO-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[NH+](C)CC(=O)N1[C@@H]2CC[C@H]1C[N@@H+](CC[C@@H](C)F)C2 ZINC001436861136 962464949 /nfs/dbraw/zinc/46/49/49/962464949.db2.gz MVDMGTFIZUPLBO-KFWWJZLASA-N 2 0 299.434 1.750 10 0 CDAERP C[C@H](CN(C)C/C=C/Cl)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001420567889 963072889 /nfs/dbraw/zinc/07/28/89/963072889.db2.gz KKLWJWXRGGBTDR-AIIKUZRDSA-N 2 0 287.835 1.516 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC001437732170 963148306 /nfs/dbraw/zinc/14/83/06/963148306.db2.gz CKIKWSFKTCVIOG-CABCVRRESA-N 2 0 279.428 1.176 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001437743513 963158432 /nfs/dbraw/zinc/15/84/32/963158432.db2.gz NLZJPVWQLDMFJS-KGLIPLIRSA-N 2 0 285.407 1.268 10 0 CDAERP CC[NH+](CC)CC[C@@H](C)NC(=O)[C@H](C)CC[NH+](C)C ZINC001420733215 963210365 /nfs/dbraw/zinc/21/03/65/963210365.db2.gz NTTFHPLPGSKTJL-ZIAGYGMSSA-N 2 0 271.449 1.811 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccsc2)CC1 ZINC001420923008 963360946 /nfs/dbraw/zinc/36/09/46/963360946.db2.gz USNAPZSXPVIXPA-ZDUSSCGKSA-N 2 0 293.436 1.581 10 0 CDAERP CC(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001420948335 963378227 /nfs/dbraw/zinc/37/82/27/963378227.db2.gz KBSDQPJRVPHKAS-CABCVRRESA-N 2 0 281.444 1.374 10 0 CDAERP CCC[N@H+](C)CC1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001420970080 963392925 /nfs/dbraw/zinc/39/29/25/963392925.db2.gz VFMDCPIXMHIRBJ-UHFFFAOYSA-N 2 0 283.460 1.907 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@]1(C)CC[N@H+](CC)C1 ZINC001421209689 963501562 /nfs/dbraw/zinc/50/15/62/963501562.db2.gz PNKCEUKYAUXUAF-OCCSQVGLSA-N 2 0 273.396 1.267 10 0 CDAERP C[C@H](C[NH2+]CC1CCC1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001438692491 963527792 /nfs/dbraw/zinc/52/77/92/963527792.db2.gz XWSUQVMRCGGZFT-ZIAGYGMSSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001421316427 963550011 /nfs/dbraw/zinc/55/00/11/963550011.db2.gz ZZPCTQNSWQGGKV-HNNXBMFYSA-N 2 0 295.471 1.907 10 0 CDAERP CC[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001439247052 963688573 /nfs/dbraw/zinc/68/85/73/963688573.db2.gz YGRMHKDBIXUUDB-KBPBESRZSA-N 2 0 281.444 1.755 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]C[C@@H](F)CC ZINC001439791460 963863049 /nfs/dbraw/zinc/86/30/49/963863049.db2.gz VRWFCOBXKRXJLI-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)CCC[NH+]1CC([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001441181493 964410628 /nfs/dbraw/zinc/41/06/28/964410628.db2.gz PDYKBPMXYNZISN-CQSZACIVSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001441303970 964456405 /nfs/dbraw/zinc/45/64/05/964456405.db2.gz FHQCDJNOMIJXNX-TUVASFSCSA-N 2 0 279.428 1.031 10 0 CDAERP CC(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001441346985 964470757 /nfs/dbraw/zinc/47/07/57/964470757.db2.gz CEZJVPONMZQUJM-BPUTZDHNSA-N 2 0 293.455 1.469 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001441360896 964475547 /nfs/dbraw/zinc/47/55/47/964475547.db2.gz PDBVYOSMRPBKJN-GJZGRUSLSA-N 2 0 299.434 1.801 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCC1CCCC1 ZINC001441796798 964718895 /nfs/dbraw/zinc/71/88/95/964718895.db2.gz YDSLOKPREYVZEQ-ZFWWWQNUSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)CC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC001441816502 964731964 /nfs/dbraw/zinc/73/19/64/964731964.db2.gz AOEDAVHKZJANGP-HUUCEWRRSA-N 2 0 293.455 1.707 10 0 CDAERP CC[C@@H](F)C[NH2+][C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001441844070 964746749 /nfs/dbraw/zinc/74/67/49/964746749.db2.gz QLWJSASRXPNGJN-NWDGAFQWSA-N 2 0 273.396 1.313 10 0 CDAERP CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001441858688 964754216 /nfs/dbraw/zinc/75/42/16/964754216.db2.gz DSAKSDXTOXCPJV-IIAWOOMASA-N 2 0 281.444 1.850 10 0 CDAERP CC(C)[NH2+]C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C(C)(C)C ZINC001442191043 964906508 /nfs/dbraw/zinc/90/65/08/964906508.db2.gz XDMYBZPXDLBOQT-KBPBESRZSA-N 2 0 283.460 1.857 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)C[NH2+]CC(C)C)CC1 ZINC001346103574 964927118 /nfs/dbraw/zinc/92/71/18/964927118.db2.gz JSUWQERUEUZSDY-UHFFFAOYSA-N 2 0 269.433 1.470 10 0 CDAERP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CCCC1 ZINC001442334335 964990047 /nfs/dbraw/zinc/99/00/47/964990047.db2.gz BMFPZOSFUINMGQ-UKRRQHHQSA-N 2 0 281.444 1.613 10 0 CDAERP CCC[N@H+](C)CC(=O)NCC[NH+](C)CC1CC2(CCC2)C1 ZINC001442583291 965124335 /nfs/dbraw/zinc/12/43/35/965124335.db2.gz OIMJQUGPCZNENI-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CC[C@H](C)C[N@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001442653488 965162907 /nfs/dbraw/zinc/16/29/07/965162907.db2.gz SVELEYNAKNRVNH-RRFJBIMHSA-N 2 0 283.460 1.811 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1CC[N@H+](CCF)C1 ZINC001442854265 965248580 /nfs/dbraw/zinc/24/85/80/965248580.db2.gz JHAGZNATFJDGEI-STQMWFEESA-N 2 0 291.386 1.074 10 0 CDAERP O=C(CC[N@H+]1CC[C@@H](F)C1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001444208490 965760543 /nfs/dbraw/zinc/76/05/43/965760543.db2.gz JLNRMUGDBVUBEY-CABCVRRESA-N 2 0 297.418 1.507 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001445082793 966092733 /nfs/dbraw/zinc/09/27/33/966092733.db2.gz JZDMREZTWQYHIL-CHWSQXEVSA-N 2 0 273.396 1.076 10 0 CDAERP CC(C)[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC001349487900 966365684 /nfs/dbraw/zinc/36/56/84/966365684.db2.gz UMDMOHQLEHBKHT-ZIAGYGMSSA-N 2 0 267.417 1.447 10 0 CDAERP C[C@]1(CNC(=O)C[NH+]2CCCC2)CCC[N@H+](CCF)C1 ZINC001446687888 966614800 /nfs/dbraw/zinc/61/48/00/966614800.db2.gz UUUWIQMOWUTYMZ-OAHLLOKOSA-N 2 0 285.407 1.270 10 0 CDAERP CC[C@H](C)C[N@@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001447043974 966687051 /nfs/dbraw/zinc/68/70/51/966687051.db2.gz REUBZWKUSIQOKX-HRCADAONSA-N 2 0 295.471 1.907 10 0 CDAERP CC[NH2+][C@@H](C)c1ccc(CNC(=O)CC[NH+](C)C)cc1 ZINC001447089644 966697205 /nfs/dbraw/zinc/69/72/05/966697205.db2.gz SYVHTSNTDCCMNU-ZDUSSCGKSA-N 2 0 277.412 1.925 10 0 CDAERP CC(C)C[NH2+]C1(C)CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001447545542 966813635 /nfs/dbraw/zinc/81/36/35/966813635.db2.gz BKNGADQQDIPCHU-UHFFFAOYSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@H]2C[N@H+](CCCF)CC2(C)C)CC1 ZINC001448382680 967088796 /nfs/dbraw/zinc/08/87/96/967088796.db2.gz FJLNCAXKPFFBLX-ZDUSSCGKSA-N 2 0 299.434 1.514 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000847180692 967099303 /nfs/dbraw/zinc/09/93/03/967099303.db2.gz STYLCYRRYHIBEK-ZENOOKHLSA-N 2 0 299.434 1.655 10 0 CDAERP C[NH+](C)CCC(=O)N1CC2(C1)CCC[N@H+](CC1CC1)C2 ZINC001448480088 967125027 /nfs/dbraw/zinc/12/50/27/967125027.db2.gz PTGYXSDQQCJITM-UHFFFAOYSA-N 2 0 279.428 1.273 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)CC[NH+](C)C ZINC001543359672 967290269 /nfs/dbraw/zinc/29/02/69/967290269.db2.gz USKBDHNPTCTNTI-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP CO[C@H](C)C[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001449017404 967334579 /nfs/dbraw/zinc/33/45/79/967334579.db2.gz UFLIBHNWHGLLRQ-IJEWVQPXSA-N 2 0 297.443 1.086 10 0 CDAERP CC[NH+](CC)CC[C@@H](C)NC(=O)C[N@H+](CC)C1CC1 ZINC001529413718 969039243 /nfs/dbraw/zinc/03/92/43/969039243.db2.gz BTRTVRYQNRKGTE-CYBMUJFWSA-N 2 0 269.433 1.707 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOC(C)(C)C ZINC000848999043 969391711 /nfs/dbraw/zinc/39/17/11/969391711.db2.gz MQWSXUAHXYZXIK-GFCCVEGCSA-N 2 0 270.421 1.400 10 0 CDAERP CC[NH+](CC)CCNC(=O)[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001463636313 969744916 /nfs/dbraw/zinc/74/49/16/969744916.db2.gz XVZZSOKPQHGUDY-CQSZACIVSA-N 2 0 269.433 1.565 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC[NH+]2CC=CC2)C1 ZINC001465329997 969866616 /nfs/dbraw/zinc/86/66/16/969866616.db2.gz BNKVINWIKMGCMR-UONOGXRCSA-N 2 0 265.401 1.095 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC001466489690 969962105 /nfs/dbraw/zinc/96/21/05/969962105.db2.gz QVVRMQDVLTZEEV-UPJWGTAASA-N 2 0 255.406 1.125 10 0 CDAERP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001468456483 970166301 /nfs/dbraw/zinc/16/63/01/970166301.db2.gz YIMHAWFRXKXLCJ-APIJFGDWSA-N 2 0 281.444 1.658 10 0 CDAERP CCCN(C(=O)[C@@H](C)CC[NH+](C)C)[C@@H]1CC[N@H+](C)C1 ZINC001469350898 970243237 /nfs/dbraw/zinc/24/32/37/970243237.db2.gz KTNLAUZVNNJKQJ-UONOGXRCSA-N 2 0 269.433 1.517 10 0 CDAERP C[NH+](C)CC[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001471791480 970480654 /nfs/dbraw/zinc/48/06/54/970480654.db2.gz IEMYCAPLEBQPKF-ZDUSSCGKSA-N 2 0 267.417 1.271 10 0 CDAERP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1 ZINC001371878070 972667026 /nfs/dbraw/zinc/66/70/26/972667026.db2.gz JIMUVFRNFCACSG-GDBMZVCRSA-N 2 0 289.423 1.623 10 0 CDAERP CC(C)[C@@H](C(=O)NCC[N@H+](C)CC[C@@H](C)F)[NH+](C)C ZINC001372001116 972740951 /nfs/dbraw/zinc/74/09/51/972740951.db2.gz XNPVROQGWKLBFF-OLZOCXBDSA-N 2 0 275.412 1.369 10 0 CDAERP C[NH+](C)CCC(=O)NCC[N@H+](C)Cc1cccc(F)c1 ZINC001372146854 972816739 /nfs/dbraw/zinc/81/67/39/972816739.db2.gz CHEXDVOASKDBRY-UHFFFAOYSA-N 2 0 281.375 1.325 10 0 CDAERP CCN(CCF)CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001372476299 972966994 /nfs/dbraw/zinc/96/69/94/972966994.db2.gz MOICBVXYXJIZEZ-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CC[NH2+]CC1CCC1 ZINC001497329304 973288381 /nfs/dbraw/zinc/28/83/81/973288381.db2.gz AQHOMUGWZIQEAH-CYBMUJFWSA-N 2 0 269.433 1.611 10 0 CDAERP CC[C@H](C(=O)NCC[C@H]1CC[N@H+](CC(C)C)C1)[NH+](C)C ZINC001373192201 973298445 /nfs/dbraw/zinc/29/84/45/973298445.db2.gz IDEAIRMEPBFDHI-LSDHHAIUSA-N 2 0 283.460 1.811 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001373249235 973326887 /nfs/dbraw/zinc/32/68/87/973326887.db2.gz WQQPLWAILMLGSB-CABCVRRESA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N2C[C@@H]3C[NH+](C)C[C@@H]3C2)C1 ZINC001417733511 973344220 /nfs/dbraw/zinc/34/42/20/973344220.db2.gz SIEWIANRYHGYPT-SOUVJXGZSA-N 2 0 279.428 1.127 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH+](C)CCF)C2)CC[N@@H+]1C ZINC001373283607 973345434 /nfs/dbraw/zinc/34/54/34/973345434.db2.gz YAKIWFYFMQOFKH-HZSPNIEDSA-N 2 0 285.407 1.076 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccn2)C1 ZINC001417795107 973391942 /nfs/dbraw/zinc/39/19/42/973391942.db2.gz FBBBICUOPOHJPT-CTYIDZIISA-N 2 0 290.411 1.018 10 0 CDAERP CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001497579075 973419486 /nfs/dbraw/zinc/41/94/86/973419486.db2.gz LMMCWOPRLUDRBL-GJBLVYBDSA-N 2 0 267.417 1.531 10 0 CDAERP CC(C)=CC[NH2+]C/C=C\CNC(=O)C[N@@H+](C)C1CCC1 ZINC001497600400 973428811 /nfs/dbraw/zinc/42/88/11/973428811.db2.gz ZXTNXPILMWQBJK-PLNGDYQASA-N 2 0 279.428 1.699 10 0 CDAERP C[C@H](C[NH2+]CC1CC1)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001497911224 973574411 /nfs/dbraw/zinc/57/44/11/973574411.db2.gz UHVPYAOVMSTZTK-MLGOLLRUSA-N 2 0 299.434 1.703 10 0 CDAERP Cc1cc(C[NH2+][C@H](C)CNC(=O)CCC[NH+](C)C)sn1 ZINC001418268496 973713789 /nfs/dbraw/zinc/71/37/89/973713789.db2.gz VXPGPTSBQDZBQP-GFCCVEGCSA-N 2 0 298.456 1.388 10 0 CDAERP CC(C)[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001498199030 973738915 /nfs/dbraw/zinc/73/89/15/973738915.db2.gz SURSXWUQYVIDDT-LSDHHAIUSA-N 2 0 283.460 2.000 10 0 CDAERP C[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cncs1 ZINC001418396546 973796616 /nfs/dbraw/zinc/79/66/16/973796616.db2.gz QPPNYWQKACMPHZ-AAEUAGOBSA-N 2 0 296.440 1.222 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CC([NH+]3CCCC3)C2)C1 ZINC001418407605 973802455 /nfs/dbraw/zinc/80/24/55/973802455.db2.gz WZAOAAPEDPBPJU-ZIAGYGMSSA-N 2 0 279.428 1.413 10 0 CDAERP CC[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C[C@H](C)[NH2+]1 ZINC001418562591 973972952 /nfs/dbraw/zinc/97/29/52/973972952.db2.gz WWQPNTNLMZMVLN-GBJTYRQASA-N 2 0 281.444 1.706 10 0 CDAERP CC1(NC(=O)C[NH+]2CCCC2)CC[NH+](CC2CCC2)CC1 ZINC001500006980 974350724 /nfs/dbraw/zinc/35/07/24/974350724.db2.gz LPLUCIJKDXYJAT-UHFFFAOYSA-N 2 0 293.455 1.853 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1CC12CC[NH+](CC)CC2 ZINC001376179987 974592708 /nfs/dbraw/zinc/59/27/08/974592708.db2.gz VKWORYJCWSYPMC-KBPBESRZSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)[C@@H](C(=O)N1CC[C@H](CC[NH2+]CCF)C1)[NH+](C)C ZINC001501578354 974602441 /nfs/dbraw/zinc/60/24/41/974602441.db2.gz JQIAYANGCHDEJM-KBPBESRZSA-N 2 0 287.423 1.370 10 0 CDAERP CC(C)(C(=O)NC[C@@H]([NH2+]CC1CC1)C1CC1)[NH+]1CCCC1 ZINC001376237381 974612072 /nfs/dbraw/zinc/61/20/72/974612072.db2.gz DNAGYKHNQWZUKD-OAHLLOKOSA-N 2 0 293.455 1.755 10 0 CDAERP COCCC[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CCC1 ZINC001501961990 974664183 /nfs/dbraw/zinc/66/41/83/974664183.db2.gz OJIRNFKVOGXQHF-UHFFFAOYSA-N 2 0 297.443 1.136 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]C/C=C\Cl ZINC001376728541 974746729 /nfs/dbraw/zinc/74/67/29/974746729.db2.gz CJGFJVJNUWVHTI-XEBOPQQMSA-N 2 0 287.835 1.708 10 0 CDAERP CC[C@H](F)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001376903453 974810240 /nfs/dbraw/zinc/81/02/40/974810240.db2.gz RCPVGGLHQGEMMK-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]CCF ZINC001377426295 975022281 /nfs/dbraw/zinc/02/22/81/975022281.db2.gz IAVGQEIAHBLWRI-QWHCGFSZSA-N 2 0 273.396 1.313 10 0 CDAERP CC(C)C[NH2+]CC1CC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001377719803 975120874 /nfs/dbraw/zinc/12/08/74/975120874.db2.gz REGXSCFRGQISJD-WLYUNCDWSA-N 2 0 281.444 1.469 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC[C@H]1CC[NH+](CCC2CC2)C1 ZINC001377732090 975121486 /nfs/dbraw/zinc/12/14/86/975121486.db2.gz YPCXAHHDOUDOHB-INIZCTEOSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001506822308 975228537 /nfs/dbraw/zinc/22/85/37/975228537.db2.gz PRIQLAKTTJLZAE-FPCVCCKLSA-N 2 0 293.455 1.278 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N(C)[C@H](C[NH2+]CCF)C2CC2)CC[N@@H+]1C ZINC001507023258 975297503 /nfs/dbraw/zinc/29/75/03/975297503.db2.gz OFQYFNKXOMZKOX-AEGPPILISA-N 2 0 299.434 1.513 10 0 CDAERP CCc1nocc1C[NH2+][C@@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001507118166 975343069 /nfs/dbraw/zinc/34/30/69/975343069.db2.gz LTQXONQKKNQEQP-LBPRGKRZSA-N 2 0 296.415 1.125 10 0 CDAERP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CC1CCCC1 ZINC001507117105 975343315 /nfs/dbraw/zinc/34/33/15/975343315.db2.gz GOTYRTROEUJHDJ-ZDUSSCGKSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)C[NH2+]C[C@](C)(NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001378433385 975349220 /nfs/dbraw/zinc/34/92/20/975349220.db2.gz MUJCFLCRCLIXJX-CJNGLKHVSA-N 2 0 281.444 1.469 10 0 CDAERP CC[C@@H](C(=O)N[C@@]12CCC[C@H]1[N@H+](CCCF)CC2)[NH+](C)C ZINC001507350244 975426184 /nfs/dbraw/zinc/42/61/84/975426184.db2.gz LAKPXBOALUQOFQ-SQWLQELKSA-N 2 0 299.434 1.799 10 0 CDAERP C[C@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1CCCF ZINC001507383345 975429027 /nfs/dbraw/zinc/42/90/27/975429027.db2.gz OEWPEKVZBQDPQK-STQMWFEESA-N 2 0 273.396 1.267 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001397081396 975457984 /nfs/dbraw/zinc/45/79/84/975457984.db2.gz PGFYRRWPZUDSRS-ZQDZILKHSA-N 2 0 299.434 1.561 10 0 CDAERP CC(C)[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001378782110 975490374 /nfs/dbraw/zinc/49/03/74/975490374.db2.gz KQAHVLSBEPMYPW-ZNMIVQPWSA-N 2 0 281.444 1.563 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H]1C ZINC001397268038 975524763 /nfs/dbraw/zinc/52/47/63/975524763.db2.gz BQJCJNSILHGZJF-KGLIPLIRSA-N 2 0 283.460 1.953 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]CC2CCC2)C(C)(C)C)C1 ZINC001508031829 975581641 /nfs/dbraw/zinc/58/16/41/975581641.db2.gz ZUOSDHDYDAKBMP-GJZGRUSLSA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCCCC[C@@H]([NH2+]CCF)C1 ZINC001388799254 975599206 /nfs/dbraw/zinc/59/92/06/975599206.db2.gz NJMNPMAJHFNQPQ-CQSZACIVSA-N 2 0 287.423 1.657 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+](C)[C@H](C)COC)CC[N@@H+]1C ZINC001401365754 975620875 /nfs/dbraw/zinc/62/08/75/975620875.db2.gz GLQKVRPXXLSOTI-QLFBSQMISA-N 2 0 299.459 1.142 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N(C)[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001405119425 975632960 /nfs/dbraw/zinc/63/29/60/975632960.db2.gz ILQHQXHTLJGMRC-CABCVRRESA-N 2 0 299.434 1.609 10 0 CDAERP CC[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CCC1)[NH+](C)C ZINC001397578449 975639179 /nfs/dbraw/zinc/63/91/79/975639179.db2.gz XFPKRLUJZMQCGP-LSDHHAIUSA-N 2 0 281.444 1.659 10 0 CDAERP C[NH+](C)CC1(C(=O)NCC2=CC[N@H+](CC3CC3)CC2)CC1 ZINC001508212666 975642392 /nfs/dbraw/zinc/64/23/92/975642392.db2.gz RFJGAIMJFOFKQG-UHFFFAOYSA-N 2 0 291.439 1.487 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@@H]21 ZINC001401460028 975670565 /nfs/dbraw/zinc/67/05/65/975670565.db2.gz CQLWCMHZMRUFES-CVEARBPZSA-N 2 0 295.471 1.905 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CCC2CC2)C1 ZINC001379178073 975704186 /nfs/dbraw/zinc/70/41/86/975704186.db2.gz ZFQABACZYJTZPW-CVEARBPZSA-N 2 0 293.455 1.661 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1C ZINC001397791590 975722265 /nfs/dbraw/zinc/72/22/65/975722265.db2.gz HZQLLZTTYDFWKR-MCIONIFRSA-N 2 0 299.434 1.798 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1cc(C)ns1)[NH+](C)C ZINC001379580212 975935184 /nfs/dbraw/zinc/93/51/84/975935184.db2.gz GSDMLNYUQWXFFD-WCQYABFASA-N 2 0 298.456 1.386 10 0 CDAERP CC(C)C[C@H](C[NH2+]C(C)C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001405937770 975942723 /nfs/dbraw/zinc/94/27/23/975942723.db2.gz RUWOPZWPRQORGR-HUUCEWRRSA-N 2 0 283.460 1.857 10 0 CDAERP CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001405956762 975947342 /nfs/dbraw/zinc/94/73/42/975947342.db2.gz SAYWAMQJIRBGNK-CABCVRRESA-N 2 0 299.459 1.095 10 0 CDAERP CC[N@@H+]1CC[C@]2(NC(=O)CC[NH+]3CCCCC3)CCC[C@H]12 ZINC001379627140 975965756 /nfs/dbraw/zinc/96/57/56/975965756.db2.gz ZFKBBDBHZYZYGG-DOTOQJQBSA-N 2 0 293.455 1.996 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001398517880 976015934 /nfs/dbraw/zinc/01/59/34/976015934.db2.gz FDJZEFWFCJSEMD-RDBSUJKOSA-N 2 0 285.407 1.409 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001398527630 976017703 /nfs/dbraw/zinc/01/77/03/976017703.db2.gz ARXYYQSSURYDNU-UVPYHEFZSA-N 2 0 295.471 2.000 10 0 CDAERP CN(CC[N@H+](C)CC1CC1)C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001406110042 976033650 /nfs/dbraw/zinc/03/36/50/976033650.db2.gz WUJWGLMSAWRQAZ-HOTGVXAUSA-N 2 0 293.455 1.804 10 0 CDAERP O=C(NCC1([NH2+]CC2CC2)CC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001401953213 976038689 /nfs/dbraw/zinc/03/86/89/976038689.db2.gz ISQSKWGURUFTFV-GJZGRUSLSA-N 2 0 291.439 1.652 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001398620439 976076827 /nfs/dbraw/zinc/07/68/27/976076827.db2.gz MQAZAFNJTXPIMK-MELADBBJSA-N 2 0 281.444 1.754 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001406182686 976085408 /nfs/dbraw/zinc/08/54/08/976085408.db2.gz IPDZBLXEBRAFIF-CABCVRRESA-N 2 0 293.455 1.613 10 0 CDAERP CC[C@H](C)C[NH+]1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001402043945 976096033 /nfs/dbraw/zinc/09/60/33/976096033.db2.gz QPSBPCFIIBYOMD-AWEZNQCLSA-N 2 0 283.460 1.907 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC2(C)CC[NH+](CCCF)CC2)C1 ZINC001402093278 976119007 /nfs/dbraw/zinc/11/90/07/976119007.db2.gz WTRQNHKTBOSWEV-CQSZACIVSA-N 2 0 299.434 1.659 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001398759009 976139976 /nfs/dbraw/zinc/13/99/76/976139976.db2.gz QFGSSWNOLAEMQV-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[NH2+]C[C@@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)(C)C ZINC001380071998 976231312 /nfs/dbraw/zinc/23/13/12/976231312.db2.gz IRMJCSPGSSECMR-HUUCEWRRSA-N 2 0 295.471 1.857 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N(C)C2CC([NH2+]C/C=C\Cl)C2)C1 ZINC001380173010 976278951 /nfs/dbraw/zinc/27/89/51/976278951.db2.gz UVUMXGRYOUTETA-OTDALMJOSA-N 2 0 299.846 1.660 10 0 CDAERP Cc1ccccc1C[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001406653865 976337220 /nfs/dbraw/zinc/33/72/20/976337220.db2.gz LWELOHBELZGNFD-OAHLLOKOSA-N 2 0 291.439 1.883 10 0 CDAERP C[C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccsc1 ZINC001390649467 976414449 /nfs/dbraw/zinc/41/44/49/976414449.db2.gz VNUWCTUXJNGYRR-OCCSQVGLSA-N 2 0 295.452 1.827 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001402660879 976428729 /nfs/dbraw/zinc/42/87/29/976428729.db2.gz KVTKOVFLGSQXFV-LSDHHAIUSA-N 2 0 283.460 1.765 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CC[NH+]2CCC2CC2)C1 ZINC001406883576 976447687 /nfs/dbraw/zinc/44/76/87/976447687.db2.gz VCPNLPBHBGUXQU-GJZGRUSLSA-N 2 0 279.428 1.319 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CC[NH+]2CCC2CC2)C1 ZINC001406883570 976457431 /nfs/dbraw/zinc/45/74/31/976457431.db2.gz VCPNLPBHBGUXQU-CABCVRRESA-N 2 0 279.428 1.319 10 0 CDAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]CCC(C)(C)C ZINC001402802019 976486103 /nfs/dbraw/zinc/48/61/03/976486103.db2.gz ZYPUYHBENAJDAR-KBPBESRZSA-N 2 0 283.460 1.811 10 0 CDAERP CC[C@@H](F)C[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001380701767 976520608 /nfs/dbraw/zinc/52/06/08/976520608.db2.gz BYFZHNGXGOXMCN-HZSPNIEDSA-N 2 0 285.407 1.076 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)C1C[NH+](CC2CCCC2)C1)[NH+](C)C ZINC001407058481 976533291 /nfs/dbraw/zinc/53/32/91/976533291.db2.gz OJYBYKCOVXXFGG-INIZCTEOSA-N 2 0 295.471 1.905 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C ZINC001380771408 976545105 /nfs/dbraw/zinc/54/51/05/976545105.db2.gz WOTGXFLYNPXYOS-GJZGRUSLSA-N 2 0 281.444 1.659 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CC1CC(C)(C)C1 ZINC001390859010 976564944 /nfs/dbraw/zinc/56/49/44/976564944.db2.gz IJRRKZOOKMAAHO-CQSZACIVSA-N 2 0 281.444 1.422 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1F)[NH+](C)C ZINC001402921466 976588801 /nfs/dbraw/zinc/58/88/01/976588801.db2.gz QKFXVABAVWTBFF-IUODEOHRSA-N 2 0 295.402 1.760 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001380935263 976607710 /nfs/dbraw/zinc/60/77/10/976607710.db2.gz SNYUXSPBBLRARD-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCC1 ZINC001407471318 976674126 /nfs/dbraw/zinc/67/41/26/976674126.db2.gz KKDFDURLUFSXKP-KBPBESRZSA-N 2 0 281.444 1.755 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001403074043 976693972 /nfs/dbraw/zinc/69/39/72/976693972.db2.gz HOEAIPUOSJXFPR-ZIAGYGMSSA-N 2 0 299.459 1.238 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]CCc1cccs1 ZINC001403169129 976779736 /nfs/dbraw/zinc/77/97/36/976779736.db2.gz PRENRPRBRHLKAJ-ZDUSSCGKSA-N 2 0 297.468 1.725 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001403193600 976803180 /nfs/dbraw/zinc/80/31/80/976803180.db2.gz CYOWQRNOXZVGIO-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](C)C[N@H+](C)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001381561969 976915751 /nfs/dbraw/zinc/91/57/51/976915751.db2.gz CZVSTHACMIRQIJ-UONOGXRCSA-N 2 0 283.460 1.811 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N(C)C[C@H](C)[NH2+]C(C)C ZINC001403558524 977064349 /nfs/dbraw/zinc/06/43/49/977064349.db2.gz RLEGQPXJLUNPNP-QWHCGFSZSA-N 2 0 275.412 1.511 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CC1CC1 ZINC001403568584 977070159 /nfs/dbraw/zinc/07/01/59/977070159.db2.gz NZNJISFZTFHJKU-DZGCQCFKSA-N 2 0 281.444 1.707 10 0 CDAERP CCC(CC)C[NH2+][C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001403630529 977114320 /nfs/dbraw/zinc/11/43/20/977114320.db2.gz MBBXGPHTUYPXFJ-AWEZNQCLSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CC1CCC1 ZINC001382066744 977152323 /nfs/dbraw/zinc/15/23/23/977152323.db2.gz JNIXEPMREQTTHK-CZUORRHYSA-N 2 0 293.455 1.565 10 0 CDAERP CCN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCCF)C1 ZINC001400757137 977174015 /nfs/dbraw/zinc/17/40/15/977174015.db2.gz DAIFZXGVOGPYNT-LSDHHAIUSA-N 2 0 299.434 1.611 10 0 CDAERP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]CC[C@H](C)F ZINC001382166330 977197320 /nfs/dbraw/zinc/19/73/20/977197320.db2.gz WXBLUROWXFDVEZ-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP Cc1noc(C)c1C[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+](C)C ZINC001392125817 977229894 /nfs/dbraw/zinc/22/98/94/977229894.db2.gz VREKHSXOZUWOPA-LLVKDONJSA-N 2 0 296.415 1.180 10 0 CDAERP CC[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]Cc1cnoc1C ZINC001400915584 977244633 /nfs/dbraw/zinc/24/46/33/977244633.db2.gz KWDZKBIGBHQNOL-CQSZACIVSA-N 2 0 296.415 1.308 10 0 CDAERP Cc1oncc1C[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001382314676 977244751 /nfs/dbraw/zinc/24/47/51/977244751.db2.gz MSVCQIZYPLHPHK-RISCZKNCSA-N 2 0 294.399 1.014 10 0 CDAERP CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]21 ZINC001382326377 977251347 /nfs/dbraw/zinc/25/13/47/977251347.db2.gz GUFNUOYMAMFMBH-ARFHVFGLSA-N 2 0 295.471 1.953 10 0 CDAERP CN(C(=O)C12CC[NH+](CC1)C2)C1CC([NH2+]C/C=C\Cl)C1 ZINC001382587225 977312283 /nfs/dbraw/zinc/31/22/83/977312283.db2.gz DFFFOGVQCYUQPA-DJWKRKHSSA-N 2 0 297.830 1.414 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC1CCC1 ZINC001392488241 977458502 /nfs/dbraw/zinc/45/85/02/977458502.db2.gz QFSJAJWSDGSQOW-UKRRQHHQSA-N 2 0 281.444 1.755 10 0 CDAERP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1C[NH+](CCCC(C)(C)C)C1 ZINC001393017792 977677314 /nfs/dbraw/zinc/67/73/14/977677314.db2.gz KEDQYGYDIZXZCX-AWEZNQCLSA-N 2 0 295.471 1.907 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@@]2(C)CC[NH+](CC3CC3)C2)C1 ZINC001393119089 977713506 /nfs/dbraw/zinc/71/35/06/977713506.db2.gz UIAKAIZSCGEGHJ-CJNGLKHVSA-N 2 0 279.428 1.319 10 0 CDAERP CC(C)CC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001393741948 977905766 /nfs/dbraw/zinc/90/57/66/977905766.db2.gz CUJQJHXOHRNGFT-LSDHHAIUSA-N 2 0 281.444 1.565 10 0 CDAERP CCC[NH+]1CC([C@@H](C)NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001394224922 978111807 /nfs/dbraw/zinc/11/18/07/978111807.db2.gz OUEQCTBHAQBBHM-TZMCWYRMSA-N 2 0 287.423 1.513 10 0 CDAERP C[C@@H](NC(=O)CCC[NH+](C)C)C1C[NH+](CC2CCCC2)C1 ZINC001394258816 978120142 /nfs/dbraw/zinc/12/01/42/978120142.db2.gz ZROZWDBVXAMXRQ-CQSZACIVSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC2CCC2)CC1(C)C ZINC001394310695 978130521 /nfs/dbraw/zinc/13/05/21/978130521.db2.gz QXHKWRDHZWCPDX-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@@H+]1CC[C@@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@H]12 ZINC001394691326 978233587 /nfs/dbraw/zinc/23/35/87/978233587.db2.gz MPTJYXVQLHLDKO-BBRMVZONSA-N 2 0 279.428 1.461 10 0 CDAERP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1CC([NH2+]C/C=C\Cl)C1 ZINC001394853574 978284392 /nfs/dbraw/zinc/28/43/92/978284392.db2.gz HOPVDAMOUUNCPS-PFAFVPJYSA-N 2 0 299.846 1.802 10 0 CDAERP CCC[NH+]1CCC([C@H](C)NC(=O)CC[NH+](C)C)CC1 ZINC001677364089 1174354383 /nfs/dbraw/zinc/35/43/83/1174354383.db2.gz QZGPJMBFGGIXIH-ZDUSSCGKSA-N 2 0 269.433 1.565 10 0 CDAERP COCCC[NH+]1CC([C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001570843355 1170298773 /nfs/dbraw/zinc/29/87/73/1170298773.db2.gz GZUNMRHUPCJGBV-HIFRSBDPSA-N 2 0 299.459 1.046 10 0 CDAERP CC(C)=CC[NH+]1CC([C@@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001570854113 1170302377 /nfs/dbraw/zinc/30/23/77/1170302377.db2.gz PGTGLVPUKMQIRA-LSDHHAIUSA-N 2 0 293.455 1.731 10 0 CDAERP CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](F)C[NH+](CC)CC ZINC001571389611 1170405146 /nfs/dbraw/zinc/40/51/46/1170405146.db2.gz PIXNEBHOSCIRDG-RYUDHWBXSA-N 2 0 261.385 1.123 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@H]([NH2+]CCCF)C(C)(C)C1 ZINC001571563583 1170478808 /nfs/dbraw/zinc/47/88/08/1170478808.db2.gz MQYLCGZVWHGEQB-LBPRGKRZSA-N 2 0 273.396 1.124 10 0 CDAERP CC(C)[NH2+]CCOCCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001571678816 1170518598 /nfs/dbraw/zinc/51/85/98/1170518598.db2.gz CEVBZPGELUEDBZ-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP CCC[N@H+]1CC=C(CNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001571689551 1170523933 /nfs/dbraw/zinc/52/39/33/1170523933.db2.gz AFAVJZWKWGTRAN-CQSZACIVSA-N 2 0 267.417 1.485 10 0 CDAERP CC[C@H](C)[NH2+]C[C@H](O)CO[C@@H]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000675078835 539085694 /nfs/dbraw/zinc/08/56/94/539085694.db2.gz AAJVCFFDIGNBKY-XPABHHOTSA-N 2 0 270.417 1.283 10 0 CDAERP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000650755356 398180108 /nfs/dbraw/zinc/18/01/08/398180108.db2.gz CPBISOBXNBKGRU-APHBMKBZSA-N 3 0 277.412 1.248 10 0 CDAERP CN(CC[C@H]1CCCC[N@@H+]1C)C[C@@H](O)CC1(O)CCC1 ZINC000625188975 342039164 /nfs/dbraw/zinc/03/91/64/342039164.db2.gz IHEUKONUICTDGP-CABCVRRESA-N 2 0 284.444 1.459 10 0 CDAERP Cn1cc(CC[NH+]2CCC(CCC[NH+](C)C)CC2)nn1 ZINC000625280941 342077151 /nfs/dbraw/zinc/07/71/51/342077151.db2.gz QGXCKBUBUHRETI-UHFFFAOYSA-N 2 0 279.432 1.411 10 0 CDAERP C[C@@H]1C[C@@]2(C[N@@H+]1Cc1ccccc1)OC[C@@H](C[NH3+])O2 ZINC000307180272 365638978 /nfs/dbraw/zinc/63/89/78/365638978.db2.gz LJGZHFWNKGXKED-BPLDGKMQSA-N 2 0 262.353 1.351 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000591871884 342648972 /nfs/dbraw/zinc/64/89/72/342648972.db2.gz VFBYLTHTJABKNT-CHWSQXEVSA-N 2 0 253.390 1.071 10 0 CDAERP [NH3+]C[C@H]1CCN2CCC[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000096949976 185138797 /nfs/dbraw/zinc/13/87/97/185138797.db2.gz XSEFIWMGAOCSNQ-CVEARBPZSA-N 2 0 259.397 1.542 10 0 CDAERP C[C@H]1CC[C@H](NC2CC[NH+](Cc3ccccn3)CC2)C[NH2+]1 ZINC000629395908 361913715 /nfs/dbraw/zinc/91/37/15/361913715.db2.gz HMQKENHNWQTHSN-HOCLYGCPSA-N 2 0 288.439 1.776 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC000599311296 344003841 /nfs/dbraw/zinc/00/38/41/344003841.db2.gz LOIBYKQOFSVGLW-KGLIPLIRSA-N 2 0 267.417 1.461 10 0 CDAERP C[C@H]1C[C@H](NC(=O)NC[C@@H]2CCC[NH+]2C)C[N@@H+]1C1CC1 ZINC000126797256 342206282 /nfs/dbraw/zinc/20/62/82/342206282.db2.gz IIXRJIGTSZPFFN-OBJOEFQTSA-N 2 0 280.416 1.005 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCc1ccccc1OC ZINC000230286107 536595170 /nfs/dbraw/zinc/59/51/70/536595170.db2.gz DRVGNFXZXUYXBG-CQSZACIVSA-N 2 0 266.385 1.581 10 0 CDAERP COC(=O)CCC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000593728696 342829993 /nfs/dbraw/zinc/82/99/93/342829993.db2.gz CPKVKDXQZQGJJT-BFHYXJOUSA-N 2 0 284.400 1.300 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1cccc2cccnc21 ZINC000629398071 361930002 /nfs/dbraw/zinc/93/00/02/361930002.db2.gz LINPBONEAYECGO-UHFFFAOYSA-N 2 0 259.353 1.690 10 0 CDAERP COc1cccc(C[NH2+]CCOCCC[NH3+])c1OC ZINC000629398764 361933034 /nfs/dbraw/zinc/93/30/34/361933034.db2.gz YEVFTWZHAZKIQI-UHFFFAOYSA-N 2 0 268.357 1.159 10 0 CDAERP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)C1 ZINC000234827200 539043891 /nfs/dbraw/zinc/04/38/91/539043891.db2.gz RSQAAWHHPIUGHG-BBWFWOEESA-N 2 0 297.487 1.806 10 0 CDAERP CC(C)[NH2+]C1CCN(C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000333721039 539054483 /nfs/dbraw/zinc/05/44/83/539054483.db2.gz UOKNVXWLSXVRGH-AWEZNQCLSA-N 2 0 282.432 1.301 10 0 CDAERP COC(=O)C1CCC([NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000600770153 342248337 /nfs/dbraw/zinc/24/83/37/342248337.db2.gz VUXBJIRZXCDVQS-WXRRBKDZSA-N 2 0 266.385 1.592 10 0 CDAERP C[C@H](C[S@@](C)=O)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000594944296 342979845 /nfs/dbraw/zinc/97/98/45/342979845.db2.gz SUYQKRHVNSCXBN-NSPYISDASA-N 2 0 278.381 1.124 10 0 CDAERP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CCC[N@H+](C)C(C)C ZINC000594914999 342984664 /nfs/dbraw/zinc/98/46/64/342984664.db2.gz OGLKXMHXLUUVLN-RWMBFGLXSA-N 2 0 256.390 1.504 10 0 CDAERP CCOC(=O)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595900253 343186676 /nfs/dbraw/zinc/18/66/76/343186676.db2.gz CMAVRKAMBUGCRX-CYBMUJFWSA-N 2 0 254.374 1.261 10 0 CDAERP Nc1nc(NC2CC[NH+](C3CC3)CC2)c2c([nH+]1)CCCC2 ZINC000645106558 362119806 /nfs/dbraw/zinc/11/98/06/362119806.db2.gz GQYAKYSNGSPGTL-UHFFFAOYSA-N 2 0 287.411 1.229 10 0 CDAERP COC(=O)c1cc(C[NH2+]CC[C@@H]([NH3+])C(C)C)c[nH]1 ZINC000596102537 343227506 /nfs/dbraw/zinc/22/75/06/343227506.db2.gz JHQRWYBSADILPT-LLVKDONJSA-N 2 0 253.346 1.264 10 0 CDAERP [NH3+]C1(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CCOCC1 ZINC000629521222 362135194 /nfs/dbraw/zinc/13/51/94/362135194.db2.gz OFPQHQLTQHPKOG-RRFJBIMHSA-N 2 0 281.444 1.395 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc(OC)c(OC)c1 ZINC000629528853 362155393 /nfs/dbraw/zinc/15/53/93/362155393.db2.gz LBBZTEKXQWQPAS-LBPRGKRZSA-N 2 0 282.384 1.590 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000629529409 362157755 /nfs/dbraw/zinc/15/77/55/362157755.db2.gz BSKBSETVLNZYMR-XQQFMLRXSA-N 2 0 256.390 1.016 10 0 CDAERP CCc1c[nH]c(CC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CC)n1 ZINC000635630496 362218120 /nfs/dbraw/zinc/21/81/20/362218120.db2.gz OJBMOARUUGYGGM-KBPBESRZSA-N 2 0 290.411 1.600 10 0 CDAERP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@]3(CCOC3)C2)CCN1C ZINC000158263520 362232978 /nfs/dbraw/zinc/23/29/78/362232978.db2.gz LHZFEJOWKJVJQW-KBUPBQIOSA-N 2 0 268.401 1.397 10 0 CDAERP CSC[C@H](CCO)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000598965430 343930805 /nfs/dbraw/zinc/93/08/05/343930805.db2.gz MHZCNVZGMSDSEG-NEPJUHHUSA-N 2 0 260.447 1.563 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000251858006 344059821 /nfs/dbraw/zinc/05/98/21/344059821.db2.gz SEDBOTQXILDDKI-RDBSUJKOSA-N 2 0 265.401 1.071 10 0 CDAERP C[C@@H]1CN(C)C[C@@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446886998 362388500 /nfs/dbraw/zinc/38/85/00/362388500.db2.gz MRYVIVWUNNXYAQ-DOMZBBRYSA-N 2 0 251.418 1.401 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)CC1([NH3+])CCCC1 ZINC000084165175 178811402 /nfs/dbraw/zinc/81/14/02/178811402.db2.gz TXAFRRVBVIHSEL-ZDUSSCGKSA-N 2 0 269.433 1.741 10 0 CDAERP CC[NH+]1CCC(CNC(=O)CC2([NH3+])CCCCC2)CC1 ZINC000084185379 178819163 /nfs/dbraw/zinc/81/91/63/178819163.db2.gz GWBKKUCXCVPTBN-UHFFFAOYSA-N 2 0 281.444 1.886 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2(O)CCCC2)[C@H]2CCC[C@@H]21 ZINC000671747476 482542947 /nfs/dbraw/zinc/54/29/47/482542947.db2.gz ZUHROXDNTXRLFY-RDBSUJKOSA-N 2 0 252.402 1.754 10 0 CDAERP CC(C)[C@]1(C)C[C@H]1C(=O)NCCN(C)CCC[NH+](C)C ZINC000617764681 345960833 /nfs/dbraw/zinc/96/08/33/345960833.db2.gz BZMAZXHKUYDGPF-HOCLYGCPSA-N 2 0 283.460 1.668 10 0 CDAERP CC(C)[C@H]1C[C@H]1C(=O)NCCN(C)CCC[NH+](C)C ZINC000617764764 345960939 /nfs/dbraw/zinc/96/09/39/345960939.db2.gz FKMRPSYUKOPBCD-ZIAGYGMSSA-N 2 0 269.433 1.278 10 0 CDAERP CCCC[C@H](C[NH3+])NC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000418438919 535027045 /nfs/dbraw/zinc/02/70/45/535027045.db2.gz FIVFIYJBNIMXSI-OCCSQVGLSA-N 2 0 282.432 1.382 10 0 CDAERP C[N@H+](CCCC[C@@](C)(O)C[NH3+])CC1CC[NH+](C)CC1 ZINC000085302932 179010830 /nfs/dbraw/zinc/01/08/30/179010830.db2.gz KXHMJPOYWUEMFO-OAHLLOKOSA-N 3 0 271.449 1.140 10 0 CDAERP CC1(C)CC(NC(=O)[C@@H]2CCC[C@H]2[NH3+])CC(C)(C)[NH2+]1 ZINC000085370882 179041160 /nfs/dbraw/zinc/04/11/60/179041160.db2.gz LUWAAGNNBLNDGA-VXGBXAGGSA-N 2 0 267.417 1.539 10 0 CDAERP CC(C)[C@@H](CNC(=O)[C@H]1CCCC[C@@H]1[NH3+])[NH+]1CCCC1 ZINC000085371103 179041175 /nfs/dbraw/zinc/04/11/75/179041175.db2.gz RPQIXXADOLAXPO-SOUVJXGZSA-N 2 0 281.444 1.741 10 0 CDAERP CCc1nc2c(n1CC1CC[NH+](CC)CC1)CC[NH2+]C2 ZINC000085573299 179097979 /nfs/dbraw/zinc/09/79/79/179097979.db2.gz MTTXWLLUZSPMFN-UHFFFAOYSA-N 2 0 276.428 1.823 10 0 CDAERP CC(C)[C@H]1C[N@H+](CCn2cccn2)[C@@H](C)CC[NH2+]1 ZINC000085618194 179103955 /nfs/dbraw/zinc/10/39/55/179103955.db2.gz ARDACKFEIVNLHA-UONOGXRCSA-N 2 0 250.390 1.592 10 0 CDAERP C[N@@H+]1CCC[C@H]2CN(C(=O)c3c[nH+]ccc3N)CC[C@H]21 ZINC000227532735 346529830 /nfs/dbraw/zinc/52/98/30/346529830.db2.gz BKDHECITXMMPDT-SMDDNHRTSA-N 2 0 274.368 1.220 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000352054848 362812096 /nfs/dbraw/zinc/81/20/96/362812096.db2.gz IPFDEYLZHSACTR-KBPBESRZSA-N 2 0 279.428 1.604 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CC23CC[NH2+]CC3)CC[N@@H+]1C ZINC000612973836 347350698 /nfs/dbraw/zinc/35/06/98/347350698.db2.gz MSRUUSZFJQQFQT-MCIONIFRSA-N 2 0 294.443 1.253 10 0 CDAERP C[NH+]1CCC(N2CC[NH2+]C3(CCCCC3)C2)CC1 ZINC000086127465 179235972 /nfs/dbraw/zinc/23/59/72/179235972.db2.gz DBAGVLALDXCQJD-UHFFFAOYSA-N 2 0 251.418 1.689 10 0 CDAERP CC[N@@H+]1CC[C@@H](CN2CC[NH2+]C3(CCCC3)C2)C1 ZINC000086141821 179236915 /nfs/dbraw/zinc/23/69/15/179236915.db2.gz GXAQXBRLJIVTOQ-CQSZACIVSA-N 2 0 251.418 1.546 10 0 CDAERP C[N@@H+]1CCC[C@@H](N2CC[NH2+]C3(CCCCC3)C2)C1 ZINC000086142267 179237851 /nfs/dbraw/zinc/23/78/51/179237851.db2.gz CWXAPQKSVQJZFS-CQSZACIVSA-N 2 0 251.418 1.689 10 0 CDAERP CC[N@@H+]1CCC[C@@H](N2CC[NH2+][C@@](C)(C3CC3)C2)C1 ZINC000086143104 179238148 /nfs/dbraw/zinc/23/81/48/179238148.db2.gz XZSGDCDQUIJWEP-HUUCEWRRSA-N 2 0 251.418 1.545 10 0 CDAERP C[C@@H]1C[NH2+][C@H](Cc2ccccc2)CN1C1CC[NH+](C)CC1 ZINC000086153969 179241512 /nfs/dbraw/zinc/24/15/12/179241512.db2.gz DCHBQMTZJZGEOE-NVXWUHKLSA-N 2 0 287.451 1.986 10 0 CDAERP CC(C)C[C@@H]1CN(C[C@@H]2CCCC[N@@H+]2C)CC[NH2+]1 ZINC000086145847 179239225 /nfs/dbraw/zinc/23/92/25/179239225.db2.gz JAORPRLCKGQVNI-CABCVRRESA-N 2 0 253.434 1.791 10 0 CDAERP CC(C)[C@@H]1C[NH2+][C@H](C2CC2)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086223946 179253319 /nfs/dbraw/zinc/25/33/19/179253319.db2.gz XPMAGWLNCNZVSU-PMPSAXMXSA-N 2 0 265.445 1.789 10 0 CDAERP CCN(C)C(=O)[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C(C)C ZINC000623537881 347621294 /nfs/dbraw/zinc/62/12/94/347621294.db2.gz MBYRRBHFOCOXAA-KGLIPLIRSA-N 2 0 283.460 1.952 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]C[C@@]2(C)CCC(=O)N2)CC1(C)C ZINC000623543911 347624817 /nfs/dbraw/zinc/62/48/17/347624817.db2.gz COYPOHORACLTQY-BXUZGUMPSA-N 2 0 253.390 1.118 10 0 CDAERP C[NH+]1CCC2(CCN(C(=O)CCc3c[nH]cn3)C2)CC1 ZINC000614965225 348287864 /nfs/dbraw/zinc/28/78/64/348287864.db2.gz PSVCDXUQEOOJHH-UHFFFAOYSA-N 2 0 276.384 1.287 10 0 CDAERP COc1cncc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)n1 ZINC000629537046 362952852 /nfs/dbraw/zinc/95/28/52/362952852.db2.gz IAVIOTZRGBHNLH-GFCCVEGCSA-N 2 0 276.384 1.449 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000629538443 362953679 /nfs/dbraw/zinc/95/36/79/362953679.db2.gz MWONJSHWZOWLTI-CQSZACIVSA-N 2 0 264.369 1.725 10 0 CDAERP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC1CC[NH+](C)CC1 ZINC000106455483 186118707 /nfs/dbraw/zinc/11/87/07/186118707.db2.gz XZQHZXCPQYQYPA-INIZCTEOSA-N 2 0 289.423 1.370 10 0 CDAERP C1CC1[C@@H]1C[C@H]([NH2+][C@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CO1 ZINC000629545896 362971577 /nfs/dbraw/zinc/97/15/77/362971577.db2.gz DAFKKUKBHDIJCV-QXKUPLGCSA-N 2 0 280.412 1.301 10 0 CDAERP O=C1CC[C@@H]([NH2+][C@H]2CCC[NH2+]CC2)[C@H](c2ccccc2)N1 ZINC000333323372 362973995 /nfs/dbraw/zinc/97/39/95/362973995.db2.gz UWSUZSLXGQLISA-UXLLHSPISA-N 2 0 287.407 1.738 10 0 CDAERP [NH3+][C@]12CCC[C@@H]1CN(C(=O)[C@@H]1C[C@H]3CCCC[C@H]3[NH2+]1)C2 ZINC000621683751 350716049 /nfs/dbraw/zinc/71/60/49/350716049.db2.gz APRJXHHXGXGJIF-FAHYXWLWSA-N 2 0 277.412 1.247 10 0 CDAERP CCn1nccc1CC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000621776688 350773173 /nfs/dbraw/zinc/77/31/73/350773173.db2.gz SSUJINBBPNMVMS-GDBMZVCRSA-N 2 0 276.428 1.910 10 0 CDAERP CC(C)[C@@H]1CN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CC[NH2+]1 ZINC000622187467 351060796 /nfs/dbraw/zinc/06/07/96/351060796.db2.gz RNPUHYDUPMKQSV-CABCVRRESA-N 2 0 281.444 1.707 10 0 CDAERP O[C@H](C[NH2+]CCCc1cccc(F)c1)C[NH+]1CCCC1 ZINC000629560504 363006563 /nfs/dbraw/zinc/00/65/63/363006563.db2.gz DOADCFNKIADXES-MRXNPFEDSA-N 2 0 280.387 1.805 10 0 CDAERP CC(C)c1noc(CCC[NH2+]C[C@H](O)C[NH+]2CCCC2)n1 ZINC000629558406 363000275 /nfs/dbraw/zinc/00/02/75/363000275.db2.gz HELIJAAPGXJATP-ZDUSSCGKSA-N 2 0 296.415 1.172 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1ccccc1OC(F)F ZINC000629567427 363014495 /nfs/dbraw/zinc/01/44/95/363014495.db2.gz DNIQDKMMOOUKLR-UHFFFAOYSA-N 2 0 288.338 1.956 10 0 CDAERP COCC[N@H+](C)CCC[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000623861745 351305947 /nfs/dbraw/zinc/30/59/47/351305947.db2.gz BSVCRPUEXDZSFW-KBPBESRZSA-N 2 0 258.406 1.502 10 0 CDAERP CO[C@H]1C[C@@H](CN(C)c2cc(C)nc(C)n2)[N@H+](C)C1 ZINC000284450788 351592385 /nfs/dbraw/zinc/59/23/85/351592385.db2.gz CTLGMELCCGCESK-STQMWFEESA-N 2 0 264.373 1.249 10 0 CDAERP C[C@H]1COCCN1CC[N@H+](C)CCCC[NH+]1CCCCC1 ZINC001659938168 1172145964 /nfs/dbraw/zinc/14/59/64/1172145964.db2.gz CUOWBXFYGCOMHY-KRWDZBQOSA-N 2 0 297.487 1.905 10 0 CDAERP CO[C@@H](C[N@H+](C)C1CC[NH+](C(C)C)CC1)[C@@H]1CCOC1 ZINC000659869680 412569368 /nfs/dbraw/zinc/56/93/68/412569368.db2.gz YJJYESOCTJTQGG-ZBFHGGJFSA-N 2 0 284.444 1.843 10 0 CDAERP C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)C[C@H]1CCCCO1 ZINC001660081685 1172156226 /nfs/dbraw/zinc/15/62/26/1172156226.db2.gz XHHNQSZRKPBBKV-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CCOc1ccc(C[N@H+](C)CCOCC[NH2+]C)cc1F ZINC000629652633 363252168 /nfs/dbraw/zinc/25/21/68/363252168.db2.gz AMXOCERQWYSXKG-UHFFFAOYSA-N 2 0 284.375 1.892 10 0 CDAERP CN(C)c1ncc(C[NH2+]C[C@H](O)CC2CCCC2)n1C ZINC000569961989 363252234 /nfs/dbraw/zinc/25/22/34/363252234.db2.gz MTXFOWDNAOQIQV-CQSZACIVSA-N 2 0 280.416 1.517 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1cc(Cl)cc2c1OCC2 ZINC000629653237 363252488 /nfs/dbraw/zinc/25/24/88/363252488.db2.gz IPGOJXCZQXFYNI-UHFFFAOYSA-N 2 0 298.814 1.943 10 0 CDAERP CCC[N@H+](C)CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001660190556 1172172971 /nfs/dbraw/zinc/17/29/71/1172172971.db2.gz PDKWETLNCOHLNY-GJZGRUSLSA-N 2 0 281.444 1.851 10 0 CDAERP CC1(C)C[NH2+]CC[C@@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000634763674 358496845 /nfs/dbraw/zinc/49/68/45/358496845.db2.gz AQQXJQLEOXDRRG-UTUOFQBUSA-N 2 0 253.390 1.008 10 0 CDAERP CN1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1=O ZINC000424383935 283116064 /nfs/dbraw/zinc/11/60/64/283116064.db2.gz UPWOITOCLLBVAH-BYNSBNAKSA-N 2 0 279.428 1.365 10 0 CDAERP CCOc1cc(C[NH2+]CCC[NH2+]CCO)ccc1OC ZINC000013733031 356355745 /nfs/dbraw/zinc/35/57/45/356355745.db2.gz BQTVVMGTSHCBDT-UHFFFAOYSA-N 2 0 282.384 1.156 10 0 CDAERP [NH3+]C1(C(=O)N2CCN3CCCC[C@H]3C2)CCCCC1 ZINC000037812714 356539384 /nfs/dbraw/zinc/53/93/84/356539384.db2.gz UTSGCEUQUSRQQE-ZDUSSCGKSA-N 2 0 265.401 1.345 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000418195545 283183757 /nfs/dbraw/zinc/18/37/57/283183757.db2.gz BTYWVGKWGQJFBO-HZSPNIEDSA-N 2 0 284.448 1.404 10 0 CDAERP CC(C)[C@@H](CNc1ccnn1C1C[NH2+]C1)[C@H](C)[NH3+] ZINC000725258623 538452963 /nfs/dbraw/zinc/45/29/63/538452963.db2.gz VIMDRCDIWODUIC-CMPLNLGQSA-N 2 0 251.378 1.059 10 0 CDAERP CCOC(=O)N1CC[NH+](C2CCC3(C[C@@H]3[NH3+])CC2)CC1 ZINC000725270687 538461148 /nfs/dbraw/zinc/46/11/48/538461148.db2.gz QSZKAVBZGWKYSB-OWYJLGKBSA-N 2 0 281.400 1.421 10 0 CDAERP C[C@H]([NH2+]C[C@H](O)C[C@](C)(O)C1CC1)C1=CC[N@H+](C)CC1 ZINC000634710766 357406173 /nfs/dbraw/zinc/40/61/73/357406173.db2.gz DSKHMKIOUFFUOF-MAZHCROVSA-N 2 0 282.428 1.138 10 0 CDAERP C[C@H](C[NH2+][C@H]1CCCC12CC2)CN1CC[NH+](C)CC1 ZINC000580330779 357524382 /nfs/dbraw/zinc/52/43/82/357524382.db2.gz UUNNUELOHSBHMP-CABCVRRESA-N 2 0 265.445 1.792 10 0 CDAERP O[C@H]1C[N@H+](Cc2ccc(-n3ccnc3)cc2)CC12CC2 ZINC000336454496 363584016 /nfs/dbraw/zinc/58/40/16/363584016.db2.gz WEAWNGQFIPKRIJ-HNNXBMFYSA-N 2 0 269.348 1.829 10 0 CDAERP c1ccn2c(c1)nnc2CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127782060 358248299 /nfs/dbraw/zinc/24/82/99/358248299.db2.gz KFGRXABFPISBDW-QWHCGFSZSA-N 2 0 271.368 1.446 10 0 CDAERP C[C@@H]1C[C@@H](NCc2nnc3ccccn32)CC[N@@H+]1C ZINC000127781345 358249051 /nfs/dbraw/zinc/24/90/51/358249051.db2.gz UPAHMHYCSFLEGF-NEPJUHHUSA-N 2 0 259.357 1.302 10 0 CDAERP C[N@@H+](Cc1ccc(Cl)nn1)CC1CC[NH2+]CC1 ZINC000095071335 358672043 /nfs/dbraw/zinc/67/20/43/358672043.db2.gz ZJXDFEZGQRKKBV-UHFFFAOYSA-N 2 0 254.765 1.561 10 0 CDAERP C([NH2+][C@H]1CCC[C@H]1[C@H]1COCCN1)C1(C2CC2)CC1 ZINC000261890262 359078459 /nfs/dbraw/zinc/07/84/59/359078459.db2.gz GJPJSUKVHODBAI-QLFBSQMISA-N 2 0 264.413 1.923 10 0 CDAERP CN(Cc1noc(CN)n1)[C@@H]1CCc2ccccc2C1 ZINC000261887847 359079058 /nfs/dbraw/zinc/07/90/58/359079058.db2.gz ZGDAXZBQYOUFCM-CYBMUJFWSA-N 2 0 272.352 1.518 10 0 CDAERP COC(=O)CC1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261906058 359084506 /nfs/dbraw/zinc/08/45/06/359084506.db2.gz WZUALQTULXDVQR-CQSZACIVSA-N 2 0 254.374 1.261 10 0 CDAERP C[N@H+](CC1CC[NH2+]CC1)C1CCN(c2cnccn2)CC1 ZINC000261942900 359098581 /nfs/dbraw/zinc/09/85/81/359098581.db2.gz MXOBBYVAYOGSLP-UHFFFAOYSA-N 2 0 289.427 1.377 10 0 CDAERP CC(C)C[NH+]1CCC(NC(=O)N2CC[C@H]([NH3+])[C@@H]2C)CC1 ZINC000335250160 359111897 /nfs/dbraw/zinc/11/18/97/359111897.db2.gz JEGAWDVFOYQQSB-JSGCOSHPSA-N 2 0 282.432 1.238 10 0 CDAERP CCC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)CCOCC1 ZINC000262029112 359124256 /nfs/dbraw/zinc/12/42/56/359124256.db2.gz XJGDNEAQXZIABC-OAGGEKHMSA-N 2 0 296.455 1.940 10 0 CDAERP C[C@H](NCCC[N@@H+]1CCCC[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000400354158 299292609 /nfs/dbraw/zinc/29/26/09/299292609.db2.gz LLIUVXDARTVWKG-QLFBSQMISA-N 2 0 253.434 1.839 10 0 CDAERP C[N@H+](CCN[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)C1CCCCC1 ZINC000422699499 359651030 /nfs/dbraw/zinc/65/10/30/359651030.db2.gz DJTQDIKJRFBSAG-IRXDYDNUSA-N 2 0 295.471 1.608 10 0 CDAERP CC[NH+]1CCN(c2ccccc2N[C@H](C)C2C[NH2+]C2)CC1 ZINC000422919453 359675116 /nfs/dbraw/zinc/67/51/16/359675116.db2.gz KBMRQDGOAGOEBS-CQSZACIVSA-N 2 0 288.439 1.848 10 0 CDAERP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2CCCC[C@@]21C ZINC000626103931 359703535 /nfs/dbraw/zinc/70/35/35/359703535.db2.gz XIZGXJPQOUDDFJ-ZNMIVQPWSA-N 2 0 254.418 1.952 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCOc1ccccc1C ZINC000422950748 359711093 /nfs/dbraw/zinc/71/10/93/359711093.db2.gz WSBYWSMYIKFZBM-CQSZACIVSA-N 2 0 266.385 1.717 10 0 CDAERP C[N@@H+]1CCC[C@H](CC[NH2+][C@H](C2CC2)[C@@H]2CNCCO2)C1 ZINC000423165923 359754854 /nfs/dbraw/zinc/75/48/54/359754854.db2.gz BTNMKVKKEMFWLA-VNQPRFMTSA-N 2 0 281.444 1.075 10 0 CDAERP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)C1 ZINC000422970921 359728429 /nfs/dbraw/zinc/72/84/29/359728429.db2.gz HNVWFPRRFPOBSB-BMFZPTHFSA-N 3 0 281.444 1.075 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](CO)c1ccccc1 ZINC000423004301 359734884 /nfs/dbraw/zinc/73/48/84/359734884.db2.gz JPXQSOZJVNMLIV-GJZGRUSLSA-N 2 0 266.385 1.106 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1NCCc2ccccc21 ZINC000423416652 359775677 /nfs/dbraw/zinc/77/56/77/359775677.db2.gz FXSKKHGEWARDOP-GOEBONIOSA-N 2 0 277.412 1.217 10 0 CDAERP C[C@@H]1[C@H]([NH3+])CCN1C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000417799704 359839248 /nfs/dbraw/zinc/83/92/48/359839248.db2.gz SWMIQICTEATWRP-BPLDGKMQSA-N 2 0 294.443 1.382 10 0 CDAERP CCOC(=O)C1([C@@H](C)N[C@H]2CCCC[NH2+]C2)CC[NH2+]CC1 ZINC000423555925 359855707 /nfs/dbraw/zinc/85/57/07/359855707.db2.gz MDJGLUNNSNURSV-KGLIPLIRSA-N 2 0 297.443 1.040 10 0 CDAERP Cc1ncc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)o1 ZINC000628159066 359920885 /nfs/dbraw/zinc/92/08/85/359920885.db2.gz GWUHXOXRJXUCAX-UHFFFAOYSA-N 2 0 293.411 1.917 10 0 CDAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCCC(C)(C)C)CC1 ZINC000566115648 316481144 /nfs/dbraw/zinc/48/11/44/316481144.db2.gz FKINTINDNRVOLG-AWEZNQCLSA-N 2 0 271.449 1.011 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CC[NH2+][C@H]2CC)C1 ZINC000626947893 360686379 /nfs/dbraw/zinc/68/63/79/360686379.db2.gz ZZYFNLKNEASLME-HZSPNIEDSA-N 2 0 282.432 1.158 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N(C)CC[NH+]1CCCC1 ZINC000112742969 360662844 /nfs/dbraw/zinc/66/28/44/360662844.db2.gz UGPTYPXNRSMDBO-CQSZACIVSA-N 2 0 284.448 1.454 10 0 CDAERP Cc1nc(NCCCCC[NH+]2CCCC2)nc(N(C)C)n1 ZINC000338763561 361011341 /nfs/dbraw/zinc/01/13/41/361011341.db2.gz VDFQVNWGPHTQIA-UHFFFAOYSA-N 2 0 292.431 1.346 10 0 CDAERP CCC[C@H]([NH3+])C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000262606583 361570151 /nfs/dbraw/zinc/57/01/51/361570151.db2.gz ZVVAZOIHBOHEPL-KBPBESRZSA-N 2 0 267.417 1.304 10 0 CDAERP O=C(Cn1ccnc1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000580378177 363983160 /nfs/dbraw/zinc/98/31/60/363983160.db2.gz QMNFFRISLSPPMB-UHFFFAOYSA-N 2 0 298.390 1.448 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000248870884 364324416 /nfs/dbraw/zinc/32/44/16/364324416.db2.gz OTFDFRDRQAEDEM-XQLPTFJDSA-N 2 0 297.443 1.214 10 0 CDAERP CC[NH2+]CC1CCN(C(=O)c2c[nH+]ccc2N)CC1 ZINC000187182081 364719365 /nfs/dbraw/zinc/71/93/65/364719365.db2.gz CIKICJOJPBMMSM-UHFFFAOYSA-N 2 0 262.357 1.126 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCOCC2CC2)[C@@H]2CCC[C@H]21 ZINC000353405894 365186963 /nfs/dbraw/zinc/18/69/63/365186963.db2.gz SHJLFYSQNSIOGQ-SOUVJXGZSA-N 2 0 252.402 1.875 10 0 CDAERP Cc1cn2cc(NC(=O)NCC[NH+](C)C)ccc2n1 ZINC000272359558 365204143 /nfs/dbraw/zinc/20/41/43/365204143.db2.gz MUMAYFRXDUWVCI-UHFFFAOYSA-N 2 0 261.329 1.326 10 0 CDAERP CSC1(C[NH2+][C@@H]2CCCOC2)CC[NH+](C)CC1 ZINC000353623226 365339201 /nfs/dbraw/zinc/33/92/01/365339201.db2.gz AUXRELXOORQFMV-GFCCVEGCSA-N 2 0 258.431 1.582 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC)C1)[NH+](CC)CC ZINC000414010632 241023424 /nfs/dbraw/zinc/02/34/24/241023424.db2.gz YTKXVLPZMFWTKO-QWHCGFSZSA-N 2 0 255.406 1.317 10 0 CDAERP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)[C@@H]1C[C@H]1C ZINC000414080341 241058887 /nfs/dbraw/zinc/05/88/87/241058887.db2.gz UMYNKDBZNSRBBZ-IJEWVQPXSA-N 2 0 288.439 1.968 10 0 CDAERP CC[NH+]1CCC(CC[NH2+]Cc2ccc(C)nn2)CC1 ZINC000414356220 241167360 /nfs/dbraw/zinc/16/73/60/241167360.db2.gz DHRGKRQQUSULMX-UHFFFAOYSA-N 2 0 262.401 1.997 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCC[NH+](CC)C1 ZINC000174238474 367056742 /nfs/dbraw/zinc/05/67/42/367056742.db2.gz UPYQFNKEDDRDDQ-KGLIPLIRSA-N 2 0 282.432 1.254 10 0 CDAERP Cc1ccncc1C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000279809799 367145856 /nfs/dbraw/zinc/14/58/56/367145856.db2.gz FOZLWTGYEKQBMD-UHFFFAOYSA-N 2 0 276.428 1.506 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000566862701 370830327 /nfs/dbraw/zinc/83/03/27/370830327.db2.gz QFNNFNLBUURTMW-WCQYABFASA-N 2 0 261.369 1.045 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C1=CC[NH+](C)CC1 ZINC000357952139 367328197 /nfs/dbraw/zinc/32/81/97/367328197.db2.gz ZNFOIVJVKKSRNB-UKRRQHHQSA-N 2 0 279.428 1.627 10 0 CDAERP C[C@]1(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)CC[NH2+]C1 ZINC000261710973 291380538 /nfs/dbraw/zinc/38/05/38/291380538.db2.gz DNINQGWTTJHIEJ-ZNMIVQPWSA-N 2 0 252.402 1.735 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)NCc2ccc(C[NH3+])cc2F)C[NH2+]1 ZINC000627112534 367462223 /nfs/dbraw/zinc/46/22/23/367462223.db2.gz XUUNAQVNUZONOL-ZWNOBZJWSA-N 2 0 294.374 1.224 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000417002775 242260572 /nfs/dbraw/zinc/26/05/72/242260572.db2.gz GQMFWJYFNHLIQM-MCIONIFRSA-N 2 0 282.432 1.253 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000417012923 242269626 /nfs/dbraw/zinc/26/96/26/242269626.db2.gz YAIHGCMGWKVANC-ZIAGYGMSSA-N 2 0 284.448 1.548 10 0 CDAERP C[C@H](C[NH3+])CNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000417201241 242356107 /nfs/dbraw/zinc/35/61/07/242356107.db2.gz VVURDCFNVIENMR-HIFRSBDPSA-N 2 0 292.427 1.053 10 0 CDAERP C[NH2+]CCCC(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000094447065 147089100 /nfs/dbraw/zinc/08/91/00/147089100.db2.gz RYEPZGJUJOBNBX-QWHCGFSZSA-N 2 0 253.390 1.071 10 0 CDAERP CC[C@@H]1C[N@H+](CC)CCN1C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627207991 367709950 /nfs/dbraw/zinc/70/99/50/367709950.db2.gz VGPGREYLQQXUJH-MGPQQGTHSA-N 2 0 282.432 1.253 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)CCC1C[NH2+]C1 ZINC000638071175 368026636 /nfs/dbraw/zinc/02/66/36/368026636.db2.gz GURWKJWZICYBJS-CYBMUJFWSA-N 2 0 255.406 1.079 10 0 CDAERP CO[C@@H](C)[C@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000538545948 368316889 /nfs/dbraw/zinc/31/68/89/368316889.db2.gz CKRTYUUVLNDJHS-IHRRRGAJSA-N 2 0 287.448 1.092 10 0 CDAERP CCCN(CCC[NH+](C)C)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000418549725 243204335 /nfs/dbraw/zinc/20/43/35/243204335.db2.gz AASFNTNNXTZHOD-KBPBESRZSA-N 2 0 284.448 1.358 10 0 CDAERP C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)CCN(C)c1cc[nH+]cc1 ZINC000540925541 368571974 /nfs/dbraw/zinc/57/19/74/368571974.db2.gz WXXGXPPMGKNRMS-UONOGXRCSA-N 2 0 290.411 1.459 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000418726069 243379655 /nfs/dbraw/zinc/37/96/55/243379655.db2.gz OIEAKRGGPWXTMJ-RYUDHWBXSA-N 2 0 282.388 1.089 10 0 CDAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC1=[NH+]CCCN1 ZINC000630387616 368854403 /nfs/dbraw/zinc/85/44/03/368854403.db2.gz UVMRRMADDWDAHS-GDBMZVCRSA-N 2 0 286.423 1.693 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000418114230 369132134 /nfs/dbraw/zinc/13/21/34/369132134.db2.gz LJKOKUPQWBMLFR-GMXVVIOVSA-N 2 0 268.405 1.038 10 0 CDAERP O=C([C@@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)C1)N1CCCC1 ZINC000420303466 244052814 /nfs/dbraw/zinc/05/28/14/244052814.db2.gz NLSGOAGOJKQRHT-HUUCEWRRSA-N 2 0 279.428 1.320 10 0 CDAERP C[NH+]1CCC(N[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000367617028 369199772 /nfs/dbraw/zinc/19/97/72/369199772.db2.gz PIIURKOFECWLPS-RRFJBIMHSA-N 2 0 251.418 1.543 10 0 CDAERP [NH3+]CCC[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000420374558 244168238 /nfs/dbraw/zinc/16/82/38/244168238.db2.gz OBLZNIWMPOCQIN-CQSZACIVSA-N 2 0 285.395 2.000 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCC1([NH3+])CCCCCC1 ZINC000418282003 370449458 /nfs/dbraw/zinc/44/94/58/370449458.db2.gz GGHFUCSBWXWQCW-OLZOCXBDSA-N 2 0 282.432 1.335 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]C[C@H](C)CC)C1 ZINC001661499268 1172399222 /nfs/dbraw/zinc/39/92/22/1172399222.db2.gz UBCPFISWRGWVEV-MGPQQGTHSA-N 2 0 269.433 1.611 10 0 CDAERP Cc1c(Cl)c(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)nn1C ZINC000422550445 245107222 /nfs/dbraw/zinc/10/72/22/245107222.db2.gz BAQFVNYJUTYPJT-UWVGGRQHSA-N 2 0 256.781 1.599 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc(-n3cncn3)cc2)C1 ZINC000414932995 370529324 /nfs/dbraw/zinc/52/93/24/370529324.db2.gz WHWSKHNEWIPYRD-KGLIPLIRSA-N 2 0 271.368 1.627 10 0 CDAERP CC[C@H](C)NC(=O)CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000566089526 370604909 /nfs/dbraw/zinc/60/49/09/370604909.db2.gz LLSLTHPGGKIRDE-AVGNSLFASA-N 2 0 255.406 1.269 10 0 CDAERP COc1cc(C)c(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)c(C)n1 ZINC000414968268 371115760 /nfs/dbraw/zinc/11/57/60/371115760.db2.gz YKAMLBBCPQRYPK-RISCZKNCSA-N 2 0 263.385 1.795 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CC(=O)N(C)C1CCCCC1 ZINC000422817412 245294999 /nfs/dbraw/zinc/29/49/99/245294999.db2.gz HOPGEOXHPYDDGH-ZDUSSCGKSA-N 2 0 285.432 1.121 10 0 CDAERP COCC1(C(=O)NCC2([NH3+])CCCCCC2)CC[NH2+]CC1 ZINC000376560608 371271629 /nfs/dbraw/zinc/27/16/29/371271629.db2.gz GOXYVSSQLZVYQC-UHFFFAOYSA-N 2 0 297.443 1.171 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](Cc1ccccc1)C(=O)N(C)C ZINC000422901404 245385025 /nfs/dbraw/zinc/38/50/25/245385025.db2.gz BYPPAOYELFCZKD-GZBFAFLISA-N 2 0 277.412 1.401 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC1(O)Cc2ccccc2C1 ZINC000573475909 371555532 /nfs/dbraw/zinc/55/55/32/371555532.db2.gz CBFHXCUCVLQUKE-LSDHHAIUSA-N 2 0 260.381 1.233 10 0 CDAERP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000377583724 371590879 /nfs/dbraw/zinc/59/08/79/371590879.db2.gz HIHRZRJMNBKTSQ-UCMJJCQDSA-N 2 0 291.439 1.509 10 0 CDAERP COc1ccc([C@@H](C[NH3+])CN2CC[NH2+]C[C@H]2C(F)F)cc1 ZINC000575181773 371769565 /nfs/dbraw/zinc/76/95/65/371769565.db2.gz ZHHQREGSYRQEME-JSGCOSHPSA-N 2 0 299.365 1.276 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCN2CCCC2=O)[C@@H]2CCC[C@@H]21 ZINC000580560120 372023389 /nfs/dbraw/zinc/02/33/89/372023389.db2.gz PYZDUERPPAEDAC-IHRRRGAJSA-N 2 0 265.401 1.071 10 0 CDAERP c1nc2c([nH]1)C[C@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CC2 ZINC000577836486 372136597 /nfs/dbraw/zinc/13/65/97/372136597.db2.gz ADTUQDGENOEQOQ-CQSZACIVSA-N 2 0 274.412 1.731 10 0 CDAERP CC[NH+]1CCN([C@@H]2CC[N@H+](CCSC)C2)CC1 ZINC000171529867 372196061 /nfs/dbraw/zinc/19/60/61/372196061.db2.gz UPNSMPRBUQNPJH-CYBMUJFWSA-N 2 0 257.447 1.061 10 0 CDAERP CC[N@@H+]1CC[C@H](N[C@@H]2C[NH2+]CCC2(F)F)[C@@H](C)C1 ZINC000415009485 372481471 /nfs/dbraw/zinc/48/14/71/372481471.db2.gz XJIZPESRWGXRMJ-SDDRHHMPSA-N 2 0 261.360 1.304 10 0 CDAERP O=C(C[C@@H]1CSCC[NH2+]1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000578533521 372497966 /nfs/dbraw/zinc/49/79/66/372497966.db2.gz QWEKHRMPUKZIKR-MCIONIFRSA-N 2 0 297.468 1.072 10 0 CDAERP COCCN1CC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000380753891 372882342 /nfs/dbraw/zinc/88/23/42/372882342.db2.gz BSJVASPLDFRYDQ-LSDHHAIUSA-N 2 0 269.433 1.027 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)CC2CC[NH2+]CC2)CC[N@@H+]1C ZINC000178815676 372984676 /nfs/dbraw/zinc/98/46/76/372984676.db2.gz ROXSNXFOKALNFV-OCCSQVGLSA-N 2 0 267.417 1.317 10 0 CDAERP CCC[C@@H](C(=O)N1CCC[N@@H+](C2CC2)CC1)[NH+](C)C ZINC000179725971 372991518 /nfs/dbraw/zinc/99/15/18/372991518.db2.gz AXKWGIKRBIMVDY-AWEZNQCLSA-N 2 0 267.417 1.413 10 0 CDAERP O=C(NC[C@@H]1CCC[NH2+]1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000418361110 373166591 /nfs/dbraw/zinc/16/65/91/373166591.db2.gz GRTBPGAOBYLMGW-HNNXBMFYSA-N 2 0 294.443 1.256 10 0 CDAERP c1csc(CC2CC[NH+](CCN3CC[NH2+]CC3)CC2)n1 ZINC000631836495 373747436 /nfs/dbraw/zinc/74/74/36/373747436.db2.gz AGHCOGLJZLMESL-UHFFFAOYSA-N 2 0 294.468 1.303 10 0 CDAERP C[C@@H]([NH2+]CC1(CO)CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000643466258 373935370 /nfs/dbraw/zinc/93/53/70/373935370.db2.gz KNVPLBSEVUISFS-ZIAGYGMSSA-N 2 0 254.418 1.907 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000643469237 374009064 /nfs/dbraw/zinc/00/90/64/374009064.db2.gz BTVYNRVQJCGFBC-BXUZGUMPSA-N 2 0 257.341 1.677 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000048394865 375298993 /nfs/dbraw/zinc/29/89/93/375298993.db2.gz PBCJZBUYMHOEFL-CYBMUJFWSA-N 2 0 296.459 1.643 10 0 CDAERP CC[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000134728623 375653022 /nfs/dbraw/zinc/65/30/22/375653022.db2.gz HNQVMWKSLCBVIM-AWEZNQCLSA-N 2 0 267.417 1.176 10 0 CDAERP C[C@H](C[NH3+])CNC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000417201242 375735182 /nfs/dbraw/zinc/73/51/82/375735182.db2.gz VVURDCFNVIENMR-UKRRQHHQSA-N 2 0 292.427 1.053 10 0 CDAERP CCN(C(=O)CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)C1CCCCC1 ZINC000193658751 375889744 /nfs/dbraw/zinc/88/97/44/375889744.db2.gz OHTWJCCOFILBJP-GASCZTMLSA-N 2 0 293.455 1.661 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)C(C)(C)C[NH3+])CC1 ZINC000638975274 376326006 /nfs/dbraw/zinc/32/60/06/376326006.db2.gz INBUDGFWWQBLMI-UHFFFAOYSA-N 2 0 255.406 1.304 10 0 CDAERP C[C@H]1CC2(C[N@@H+]1Cc1nc(CC3CC3)no1)CC[NH2+]CC2 ZINC000631829355 376667510 /nfs/dbraw/zinc/66/75/10/376667510.db2.gz OMFBUBSLUFNWNC-LBPRGKRZSA-N 2 0 290.411 1.986 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000171471283 376661095 /nfs/dbraw/zinc/66/10/95/376661095.db2.gz TXGYBXBJTBURBG-KGLIPLIRSA-N 2 0 265.401 1.167 10 0 CDAERP COCc1ncc2c(n1)CC[N@@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000631834913 376678422 /nfs/dbraw/zinc/67/84/22/376678422.db2.gz IFHWXSJPLFBZKQ-CYBMUJFWSA-N 2 0 290.411 1.371 10 0 CDAERP CC[NH+](CC)CCCNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000416819219 284597438 /nfs/dbraw/zinc/59/74/38/284597438.db2.gz QVTNPBGEPNPNGI-INIZCTEOSA-N 2 0 296.459 1.503 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)[NH2+]CCCC(C)(C)C ZINC001662190897 1172501919 /nfs/dbraw/zinc/50/19/19/1172501919.db2.gz YIHDXMRQPGUXCU-KBPBESRZSA-N 2 0 299.459 1.238 10 0 CDAERP C[C@@H](NC(=O)N[C@H]1CCC[N@H+](C)C1)C(C)(C)C[NH+](C)C ZINC000674718413 483090836 /nfs/dbraw/zinc/09/08/36/483090836.db2.gz RRYSXTZJFPTLTP-OLZOCXBDSA-N 2 0 284.448 1.356 10 0 CDAERP CC(C)C(=O)N1CCCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261752972 377896518 /nfs/dbraw/zinc/89/65/18/377896518.db2.gz KDWNWSYVNQOREA-HNNXBMFYSA-N 2 0 267.417 1.176 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC2CC[NH+](C3CC3)CC2)CC[N@@H+]1C ZINC000632775331 377849215 /nfs/dbraw/zinc/84/92/15/377849215.db2.gz ZXWCGTJEYNHHPY-JKSUJKDBSA-N 2 0 293.455 1.707 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NC1(C)CC[NH2+]CC1 ZINC000417538435 377914386 /nfs/dbraw/zinc/91/43/86/377914386.db2.gz UFVHUHRJSASWQW-OKILXGFUSA-N 2 0 296.459 1.691 10 0 CDAERP C[N@H+](CCOCC(F)(F)F)CC1CC[NH+](CCO)CC1 ZINC000069628415 378440509 /nfs/dbraw/zinc/44/05/09/378440509.db2.gz WHVNLWUCYOUTGM-UHFFFAOYSA-N 2 0 298.349 1.201 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1csc(CC[NH3+])n1 ZINC000194828615 378478297 /nfs/dbraw/zinc/47/82/97/378478297.db2.gz LZAZLBSOFLUOKL-LLVKDONJSA-N 2 0 296.440 1.249 10 0 CDAERP CC[C@@]1(C)CC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000344220941 379332336 /nfs/dbraw/zinc/33/23/36/379332336.db2.gz CVSGGDYIZHVLOM-KRWDZBQOSA-N 2 0 293.455 1.851 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000418555285 284779190 /nfs/dbraw/zinc/77/91/90/284779190.db2.gz DKZFLOSVOLLICC-MGPQQGTHSA-N 2 0 282.432 1.110 10 0 CDAERP CC(C)[C@H]1CN(C(=O)CC[C@H]2CCC[NH2+]C2)CC[N@@H+]1C ZINC000634300699 379358556 /nfs/dbraw/zinc/35/85/56/379358556.db2.gz ILWIBPNUUBRMCA-HUUCEWRRSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000660675796 412949245 /nfs/dbraw/zinc/94/92/45/412949245.db2.gz DNSPZGYPBAMXGL-XAJHFOFHSA-N 2 0 278.440 1.832 10 0 CDAERP CC[NH+](C[C@H](C)C[N@@H+](CC)[C@H]1CCOC1)[C@@H]1CCOC1 ZINC000361589879 285054946 /nfs/dbraw/zinc/05/49/46/285054946.db2.gz RRPWSZIWHZQGCN-MUJYYYPQSA-N 2 0 284.444 1.844 10 0 CDAERP O[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C12CCC2 ZINC000657707595 412993550 /nfs/dbraw/zinc/99/35/50/412993550.db2.gz IDDJKIDWRCORNZ-RFQIPJPRSA-N 2 0 250.386 1.506 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000335284786 285230744 /nfs/dbraw/zinc/23/07/44/285230744.db2.gz FZXOPHXRYGNVLD-GDBMZVCRSA-N 2 0 294.443 1.256 10 0 CDAERP CC[N@H+](CCNC(=O)C[C@H]1[NH2+]Cc2ccccc21)C1CC1 ZINC000662437871 413018021 /nfs/dbraw/zinc/01/80/21/413018021.db2.gz SSIMTGHWPKFTQN-MRXNPFEDSA-N 2 0 287.407 1.822 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)CC2CC[NH2+]CC2)[C@H](C)C1 ZINC000178814090 285365718 /nfs/dbraw/zinc/36/57/18/285365718.db2.gz YKCBMHYFZQVFTB-UKRRQHHQSA-N 2 0 281.444 1.565 10 0 CDAERP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000236910567 390487365 /nfs/dbraw/zinc/48/73/65/390487365.db2.gz JNHKGYWAICAIGQ-CRWXNKLISA-N 2 0 267.417 1.541 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC000129986270 285381555 /nfs/dbraw/zinc/38/15/55/285381555.db2.gz ALHKOMPDAYZXJZ-CHWSQXEVSA-N 2 0 255.406 1.031 10 0 CDAERP C[C@@H]([NH2+]CCCC[NH+]1CCOCC1)[C@H]1CCOC1 ZINC000158751380 390936062 /nfs/dbraw/zinc/93/60/62/390936062.db2.gz IAVGOZSPRUOEOK-KGLIPLIRSA-N 2 0 256.390 1.113 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000417746956 391013675 /nfs/dbraw/zinc/01/36/75/391013675.db2.gz IANNBPYPSJZTDV-OAHLLOKOSA-N 2 0 296.459 1.407 10 0 CDAERP CC(C)C[C@@H]([NH3+])CN1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000415130765 391044487 /nfs/dbraw/zinc/04/44/87/391044487.db2.gz XPQVKFOVUGSPKY-OWCLPIDISA-N 2 0 279.403 1.926 10 0 CDAERP CC[C@H](C(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C)[NH+](C)C ZINC000413510435 391076220 /nfs/dbraw/zinc/07/62/20/391076220.db2.gz VXAFHQNDMYPPID-MJBXVCDLSA-N 2 0 269.433 1.515 10 0 CDAERP C[C@@H]1CC[C@]2(CC[N@H+](C[C@@H](O)CN(C)C3CC3)C2)C1 ZINC000351616869 391084790 /nfs/dbraw/zinc/08/47/90/391084790.db2.gz ARDBXVVWRFYNPZ-KBMXLJTQSA-N 2 0 266.429 1.954 10 0 CDAERP COCC[NH+]1CCCC2(CCC[N@@H+](CCOC)C2)C1 ZINC000377719221 391266621 /nfs/dbraw/zinc/26/66/21/391266621.db2.gz FHPOETFVFXKBGX-UHFFFAOYSA-N 2 0 270.417 1.457 10 0 CDAERP C[NH2+]CCNC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000418313103 391297846 /nfs/dbraw/zinc/29/78/46/391297846.db2.gz BFOHZSPXXOGLRV-UHFFFAOYSA-N 2 0 298.475 1.748 10 0 CDAERP NC(=[NH2+])NCCC[C@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000014823980 391511418 /nfs/dbraw/zinc/51/14/18/391511418.db2.gz NMPAXZOTIQZCEM-CYBMUJFWSA-N 2 0 271.368 1.618 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000418735333 391535053 /nfs/dbraw/zinc/53/50/53/391535053.db2.gz XCUJNPAZIMCCOB-NEPJUHHUSA-N 2 0 270.421 1.143 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000417810119 391496900 /nfs/dbraw/zinc/49/69/00/391496900.db2.gz NEDMDVNLMSODMK-OLZOCXBDSA-N 2 0 296.459 1.818 10 0 CDAERP CC(C)[N@H+](CCC[NH+]1CCCCC1)C[C@@H]1CCC(=O)N1 ZINC000412094777 391602485 /nfs/dbraw/zinc/60/24/85/391602485.db2.gz XHMJBQJQQVCHTH-HNNXBMFYSA-N 2 0 281.444 1.851 10 0 CDAERP Cn1nc2c(c1C[NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@H]3C1)CCCC2 ZINC000647797874 391659603 /nfs/dbraw/zinc/65/96/03/391659603.db2.gz GDQXRNPHMWKSKC-BFHYXJOUSA-N 2 0 288.439 1.777 10 0 CDAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCCc1ncn(C)n1 ZINC000647800387 391663409 /nfs/dbraw/zinc/66/34/09/391663409.db2.gz AFPLEFRRFROALA-NSHDSACASA-N 2 0 288.399 1.261 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417609900 391699847 /nfs/dbraw/zinc/69/98/47/391699847.db2.gz MEFYLVHGMTZZRL-CQSZACIVSA-N 2 0 282.432 1.254 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000417704712 391758854 /nfs/dbraw/zinc/75/88/54/391758854.db2.gz RDBWCVHATBZFOO-RWMBFGLXSA-N 2 0 270.421 1.286 10 0 CDAERP CCNC(=O)C[C@H]1CCCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000342056628 130226840 /nfs/dbraw/zinc/22/68/40/130226840.db2.gz BRQCXTFADJUPQU-HUUCEWRRSA-N 2 0 281.444 1.851 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)COC1(C)C[NH2+]C1 ZINC000649294906 391912180 /nfs/dbraw/zinc/91/21/80/391912180.db2.gz SATLTQOIPAZULU-AWEZNQCLSA-N 2 0 297.443 1.136 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)[NH+](C)C ZINC000252801240 391988466 /nfs/dbraw/zinc/98/84/66/391988466.db2.gz ACORKRMMPCTGRR-XHSDSOJGSA-N 2 0 289.423 1.888 10 0 CDAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000649303121 391948552 /nfs/dbraw/zinc/94/85/52/391948552.db2.gz YFCPDWLUVHXZQM-CABCVRRESA-N 2 0 289.423 1.274 10 0 CDAERP C[C@@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)C[NH+](C)C ZINC000341326155 391957150 /nfs/dbraw/zinc/95/71/50/391957150.db2.gz WFOZWKVMTCBZRG-AWEZNQCLSA-N 2 0 283.460 1.812 10 0 CDAERP C[C@@H]1[C@H](C(=O)NC2CC([NH+]3CCCCC3)C2)CC[N@@H+]1C ZINC000648889082 392151142 /nfs/dbraw/zinc/15/11/42/392151142.db2.gz HMWGQNSERZPRRU-XSCHDIRWSA-N 2 0 279.428 1.460 10 0 CDAERP COCCN1CCC[C@@H]1C[NH2+][C@@H](COC)C(C)C ZINC000163415754 392119399 /nfs/dbraw/zinc/11/93/99/392119399.db2.gz QLYODEKPILZFNP-KGLIPLIRSA-N 2 0 258.406 1.358 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](CO)Cc1cccc(C)c1 ZINC000423071453 392317115 /nfs/dbraw/zinc/31/71/15/392317115.db2.gz OGJWMUVCBBCLNU-JKSUJKDBSA-N 2 0 280.412 1.242 10 0 CDAERP CCOC(=O)C1([C@H](C)[NH2+]CC[C@@H]2CCOC2)CC[NH2+]CC1 ZINC000423031135 392287752 /nfs/dbraw/zinc/28/77/52/392287752.db2.gz KOIMBKOCOAZJMP-UONOGXRCSA-N 2 0 298.427 1.324 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCc1ccc(F)c(F)c1F ZINC000423033325 392289126 /nfs/dbraw/zinc/28/91/26/392289126.db2.gz OHQHWCMCBDYLRA-NSHDSACASA-N 2 0 290.329 1.990 10 0 CDAERP Fc1ccc([C@@H]([NH2+]CCN2CC[NH2+]CC2)C2CC2)cc1 ZINC000423201516 392439842 /nfs/dbraw/zinc/43/98/42/392439842.db2.gz IQVFNNCQUYOEGE-INIZCTEOSA-N 2 0 277.387 1.772 10 0 CDAERP C(CN1CC[NH2+]CC1)[NH2+][C@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000423211497 392448602 /nfs/dbraw/zinc/44/86/02/392448602.db2.gz YKFGQMWDYZMHGJ-OAGGEKHMSA-N 2 0 281.444 1.077 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC000438098503 392526938 /nfs/dbraw/zinc/52/69/38/392526938.db2.gz OYHTZCCLWYYYCM-IRXDYDNUSA-N 2 0 295.471 1.515 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000438098504 392527205 /nfs/dbraw/zinc/52/72/05/392527205.db2.gz OYHTZCCLWYYYCM-SJORKVTESA-N 2 0 295.471 1.515 10 0 CDAERP CCC[NH2+][C@H](C)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000645889318 392471701 /nfs/dbraw/zinc/47/17/01/392471701.db2.gz CRHSSZZWZQCDFQ-LLVKDONJSA-N 2 0 273.340 1.594 10 0 CDAERP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CCC[NH3+] ZINC000437780843 392490326 /nfs/dbraw/zinc/49/03/26/392490326.db2.gz WIKGQICOKXLJGK-JTQLQIEISA-N 2 0 269.776 1.996 10 0 CDAERP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000423294316 392491927 /nfs/dbraw/zinc/49/19/27/392491927.db2.gz UAGKHNUADBEQDC-BYCMXARLSA-N 2 0 291.395 1.090 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCOc2ccccc21 ZINC000234807822 393358257 /nfs/dbraw/zinc/35/82/57/393358257.db2.gz SGXIGQDWADINTA-GXTWGEPZSA-N 2 0 264.369 1.854 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)N(CC)[C@H]1CC[NH+](C)C1 ZINC000664094979 413075038 /nfs/dbraw/zinc/07/50/38/413075038.db2.gz GZPWHPNPMFZLFM-AWEZNQCLSA-N 2 0 284.448 1.454 10 0 CDAERP C[C@@H](CCn1cccn1)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000183713823 140030666 /nfs/dbraw/zinc/03/06/66/140030666.db2.gz GHRWYHCIDZAIQD-GJZGRUSLSA-N 2 0 280.416 1.098 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000251431152 140308332 /nfs/dbraw/zinc/30/83/32/140308332.db2.gz SAHPPUWCHXMEAN-JHJVBQTASA-N 2 0 255.406 1.206 10 0 CDAERP CCC1CCC(N(C)Cc2noc(CN)n2)CC1 ZINC000261551187 140345690 /nfs/dbraw/zinc/34/56/90/140345690.db2.gz SXWIDGBWVPFRQY-UHFFFAOYSA-N 2 0 252.362 1.929 10 0 CDAERP C(C[C@H]1CCOC1)[NH2+][C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000261574277 140352678 /nfs/dbraw/zinc/35/26/78/140352678.db2.gz MRAYFRDMIWDWDT-XGUBFFRZSA-N 2 0 252.402 1.923 10 0 CDAERP CC1CCC(NC(=O)CN2CC[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000261639574 140367942 /nfs/dbraw/zinc/36/79/42/140367942.db2.gz CFRWCPVFBOYHTI-RUXDESIVSA-N 2 0 281.444 1.741 10 0 CDAERP C[C@@]1(C[NH3+])CCN(CC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000261730293 140381834 /nfs/dbraw/zinc/38/18/34/140381834.db2.gz LBUGCLZWGVVDAA-AWEZNQCLSA-N 2 0 283.322 1.574 10 0 CDAERP C[C@]1(C[NH3+])CCN(C(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000334934734 140591665 /nfs/dbraw/zinc/59/16/65/140591665.db2.gz JFVKTAOITNKHJK-CQSZACIVSA-N 2 0 282.432 1.418 10 0 CDAERP C[C@@H]1CCN(C(=O)[C@@](C)([NH3+])c2ccccc2)C[C@H]1C[NH3+] ZINC000417831604 296532919 /nfs/dbraw/zinc/53/29/19/296532919.db2.gz HWDKFHQDGAXDFT-IOASZLSFSA-N 2 0 275.396 1.304 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCc1ncc(C)cc1C ZINC000656200342 413099204 /nfs/dbraw/zinc/09/92/04/413099204.db2.gz LYPOGKRZHBQLRQ-CQSZACIVSA-N 2 0 265.401 1.584 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656200658 413099368 /nfs/dbraw/zinc/09/93/68/413099368.db2.gz TWJPCJBJGNIYPH-XJTKPRQNSA-N 2 0 295.471 1.462 10 0 CDAERP O=C(C[C@H]1[NH2+]Cc2ccccc21)N1CC[NH+]2CCC1CC2 ZINC000662531086 413101451 /nfs/dbraw/zinc/10/14/51/413101451.db2.gz UKWHWJSPLTXSSB-MRXNPFEDSA-N 2 0 285.391 1.528 10 0 CDAERP O[C@@H](CC[NH2+]C1CCN([C@@H]2CCOC2)CC1)C(F)(F)F ZINC000656262152 413144965 /nfs/dbraw/zinc/14/49/65/413144965.db2.gz PKWPWWXIDZMDPZ-NEPJUHHUSA-N 2 0 296.333 1.143 10 0 CDAERP CCN(C(=O)N[C@H]1CC[NH+](C)[C@@H](C)C1)[C@H]1CC[N@H+](CC)C1 ZINC000664218189 413154049 /nfs/dbraw/zinc/15/40/49/413154049.db2.gz NQJCEAQSFXTRPZ-KKUMJFAQSA-N 2 0 296.459 1.595 10 0 CDAERP Cn1cc(CC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cn1 ZINC000300063948 398072523 /nfs/dbraw/zinc/07/25/23/398072523.db2.gz BAJZQFOBLHFHLF-HUUCEWRRSA-N 2 0 262.401 1.427 10 0 CDAERP COC[C@H](CC[NH2+]C1CC[NH+](C(C)(C)C)CC1)OC ZINC000658084169 413185386 /nfs/dbraw/zinc/18/53/86/413185386.db2.gz HVYHXEMQAVPLHH-AWEZNQCLSA-N 2 0 272.433 1.890 10 0 CDAERP Cn1ccnc1C[C@@H]1CCC[N@H+](CCCn2ccnc2)C1 ZINC000179628664 148125792 /nfs/dbraw/zinc/12/57/92/148125792.db2.gz IEKQFNSMRKFNCS-HNNXBMFYSA-N 3 0 287.411 1.961 10 0 CDAERP CCOC[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658137069 413229306 /nfs/dbraw/zinc/22/93/06/413229306.db2.gz GJSKNNALFABGMJ-RHSMWYFYSA-N 2 0 292.423 1.768 10 0 CDAERP [NH3+][C@H]1CCCCCC[C@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000262058469 149005760 /nfs/dbraw/zinc/00/57/60/149005760.db2.gz YFMMHEBGDWYXPP-XQQFMLRXSA-N 2 0 253.390 1.152 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000262070044 149008401 /nfs/dbraw/zinc/00/84/01/149008401.db2.gz RYYICZRCXFVCQO-HUUCEWRRSA-N 2 0 253.434 1.650 10 0 CDAERP CN(CC[NH2+]CC1CC1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001664240203 1172829529 /nfs/dbraw/zinc/82/95/29/1172829529.db2.gz DYXWNCJSLNODRQ-CABCVRRESA-N 2 0 279.428 1.461 10 0 CDAERP [NH3+][C@H]1CC[C@@H](C(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC000335012139 150184804 /nfs/dbraw/zinc/18/48/04/150184804.db2.gz YAUGTCXWKZTQDB-KGLIPLIRSA-N 2 0 279.428 1.591 10 0 CDAERP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NCC1([NH3+])CCC1 ZINC000335120509 150308252 /nfs/dbraw/zinc/30/82/52/150308252.db2.gz IPELKAHTBMKMMW-RYUDHWBXSA-N 2 0 253.390 1.282 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000335813557 151041924 /nfs/dbraw/zinc/04/19/24/151041924.db2.gz AMQFJYDJJCAWMW-INIZCTEOSA-N 2 0 287.407 1.607 10 0 CDAERP C[C@@]([NH3+])(C(=O)N1CCC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000336229682 151376902 /nfs/dbraw/zinc/37/69/02/151376902.db2.gz PEMONXAZVBCJHY-WFASDCNBSA-N 2 0 261.369 1.058 10 0 CDAERP C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000343269289 152093816 /nfs/dbraw/zinc/09/38/16/152093816.db2.gz AXCSCOMQYDEWJN-PBHICJAKSA-N 2 0 284.407 1.971 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)CC(C)(C)O ZINC000346172528 153083325 /nfs/dbraw/zinc/08/33/25/153083325.db2.gz JEAQXDFZILHMTP-UHFFFAOYSA-N 2 0 274.368 1.778 10 0 CDAERP CC(C)C[C@H](CNC(=O)C1([NH3+])CC2(CCC2)C1)[NH+](C)C ZINC000662674129 413292578 /nfs/dbraw/zinc/29/25/78/413292578.db2.gz VXYFEPALLIPTIT-CYBMUJFWSA-N 2 0 281.444 1.741 10 0 CDAERP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CC2([NH3+])CC2)C1 ZINC000662683930 413307593 /nfs/dbraw/zinc/30/75/93/413307593.db2.gz XGRWSSHVELMJBA-STQMWFEESA-N 2 0 267.417 1.352 10 0 CDAERP CC(C)[NH+]1CCC([NH2+][C@H]2C[C@@H](O)C23CCC3)CC1 ZINC000658250820 413312622 /nfs/dbraw/zinc/31/26/22/413312622.db2.gz DIAUWXKPPMPNHJ-UONOGXRCSA-N 2 0 252.402 1.752 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000355736666 157210634 /nfs/dbraw/zinc/21/06/34/157210634.db2.gz UPZPHVQRENCHST-INIZCTEOSA-N 2 0 299.378 1.273 10 0 CDAERP C[NH+](C)CCn1ccc(NC(=O)C2([NH2+]C3CC3)CCC2)n1 ZINC000662706434 413356291 /nfs/dbraw/zinc/35/62/91/413356291.db2.gz VUFDYJSECPSAMM-UHFFFAOYSA-N 2 0 291.399 1.058 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000359296184 158203593 /nfs/dbraw/zinc/20/35/93/158203593.db2.gz BJTPUAMICQSVON-INIZCTEOSA-N 2 0 291.439 1.617 10 0 CDAERP CC[N@@H+]1CCN(C(=O)CC[C@@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC000359605074 158306715 /nfs/dbraw/zinc/30/67/15/158306715.db2.gz XHFOGCSZMSUIML-CABCVRRESA-N 2 0 281.444 1.804 10 0 CDAERP Cc1cccn2cc(CNC(=O)CC3([NH3+])CC3)nc12 ZINC000662727272 413388435 /nfs/dbraw/zinc/38/84/35/413388435.db2.gz NJNNYHCZYUPVHJ-UHFFFAOYSA-N 2 0 258.325 1.140 10 0 CDAERP CC[C@@H](C(=O)NC1CCC(C[NH+](C)C)CC1)[NH+](C)C ZINC000119842278 286736902 /nfs/dbraw/zinc/73/69/02/286736902.db2.gz PYABEARFUXUBEM-RUXDESIVSA-N 2 0 269.433 1.563 10 0 CDAERP CCC(C)(C)[NH2+][C@H](C)C(=O)NCCNc1cc[nH+]cc1 ZINC000362840314 159249794 /nfs/dbraw/zinc/24/97/94/159249794.db2.gz KAQQFXXGUUUDMN-GFCCVEGCSA-N 2 0 278.400 1.198 10 0 CDAERP CC[NH+](CC)C[C@H]1CCN(C(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662747050 413422378 /nfs/dbraw/zinc/42/23/78/413422378.db2.gz QLTRVTXPMZRHCL-CQSZACIVSA-N 2 0 293.455 1.851 10 0 CDAERP [NH3+]Cc1ccc(NC(=O)C2([NH2+]C3CC3)CCC2)cc1 ZINC000662766817 413462069 /nfs/dbraw/zinc/46/20/69/413462069.db2.gz MZPFIVYQCYWEKP-UHFFFAOYSA-N 2 0 259.353 1.759 10 0 CDAERP CCCC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001665588364 1173018286 /nfs/dbraw/zinc/01/82/86/1173018286.db2.gz GAZKJQXGKVAYKM-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP CC[NH+]1CCN(C[C@H]([NH3+])c2cc(C)ccc2C)CC1 ZINC000022562761 171391171 /nfs/dbraw/zinc/39/11/71/171391171.db2.gz UXBLAERPGXYFFT-INIZCTEOSA-N 2 0 261.413 1.941 10 0 CDAERP CN(CC1C[NH+](C)C1)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000661072339 412089495 /nfs/dbraw/zinc/08/94/95/412089495.db2.gz YHSAAZQMDDAYFN-HNNXBMFYSA-N 2 0 294.443 1.206 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1CC(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000653168347 412105138 /nfs/dbraw/zinc/10/51/38/412105138.db2.gz ZFCGKDPVHKIXKK-XQQFMLRXSA-N 2 0 265.401 1.295 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000653176557 412116002 /nfs/dbraw/zinc/11/60/02/412116002.db2.gz YUARZJUDWWRPIN-GFCCVEGCSA-N 2 0 291.386 1.325 10 0 CDAERP CCC[C@@](C)([NH3+])C(=O)NCCC[N@H+](C)CC(C)C ZINC000653176160 412116029 /nfs/dbraw/zinc/11/60/29/412116029.db2.gz LLNWEQZBAQWSEG-CQSZACIVSA-N 2 0 257.422 1.598 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)CCC(C)(C)[NH3+] ZINC000653176624 412117865 /nfs/dbraw/zinc/11/78/65/412117865.db2.gz ZUGWZVJUWOMSMX-UHFFFAOYSA-N 2 0 257.422 1.598 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000655408075 412184411 /nfs/dbraw/zinc/18/44/11/412184411.db2.gz NVXUQKJJJVHPBJ-SOUVJXGZSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[C@H](C(=O)NCCC1(C[NH3+])CC1)[NH+]1CCCCC1 ZINC000653221231 412147451 /nfs/dbraw/zinc/14/74/51/412147451.db2.gz OGMWTANFDVFQMW-CQSZACIVSA-N 2 0 281.444 1.742 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662788970 413500035 /nfs/dbraw/zinc/50/00/35/413500035.db2.gz QXSKNYVIZMOJFD-JTQLQIEISA-N 2 0 280.372 1.035 10 0 CDAERP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)CC1([NH3+])CC1 ZINC000662788916 413500441 /nfs/dbraw/zinc/50/04/41/413500441.db2.gz QJUFEXMUNJUQBP-NSHDSACASA-N 2 0 253.390 1.057 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC000660838113 413546253 /nfs/dbraw/zinc/54/62/53/413546253.db2.gz RMERUIZVWNISIO-CHWSQXEVSA-N 2 0 282.432 1.253 10 0 CDAERP CCO[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1C[NH3+] ZINC000405352242 413564136 /nfs/dbraw/zinc/56/41/36/413564136.db2.gz VNSDZZWGYWZKCX-GHMZBOCLSA-N 2 0 284.322 1.251 10 0 CDAERP CC[NH+](CC)CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000662868181 413628774 /nfs/dbraw/zinc/62/87/74/413628774.db2.gz WMXLMNIYXURMKK-HZPDHXFCSA-N 2 0 289.423 1.590 10 0 CDAERP c1cc([C@@H]2C[NH2+]CCO2)ccc1N[C@H]1CCC[NH2+]CC1 ZINC000656793213 413673905 /nfs/dbraw/zinc/67/39/05/413673905.db2.gz QXCRPNQCFOXEBU-HOCLYGCPSA-N 2 0 275.396 1.902 10 0 CDAERP [NH3+]C1(C(=O)NCCC[C@H]2CCC[NH2+]2)CC2(CCC2)C1 ZINC000659310404 413702314 /nfs/dbraw/zinc/70/23/14/413702314.db2.gz APMRSSUYQZXJPZ-GFCCVEGCSA-N 2 0 265.401 1.296 10 0 CDAERP CCn1ccnc1[C@H](C)NC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659501782 413894250 /nfs/dbraw/zinc/89/42/50/413894250.db2.gz PZTZSSHXJZJEIN-NWDGAFQWSA-N 2 0 281.404 1.637 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1)[N@H+](C)C1CC1 ZINC000407400868 413952913 /nfs/dbraw/zinc/95/29/13/413952913.db2.gz DTYBTCUBEPBAOO-DDTOSNHZSA-N 2 0 265.401 1.116 10 0 CDAERP Cc1cncc(CC[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])n1 ZINC000665274569 414012087 /nfs/dbraw/zinc/01/20/87/414012087.db2.gz SWFDGPKIYHXGRN-WMLDXEAASA-N 2 0 284.407 1.876 10 0 CDAERP C[C@@H]([NH3+])C[C@@H](C)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665252010 413980636 /nfs/dbraw/zinc/98/06/36/413980636.db2.gz FAMSEXJDWANGFN-RRCSTGOVSA-N 2 0 261.413 1.848 10 0 CDAERP c1[nH]nc2c1CN(Cc1nc3c(s1)C[NH2+]CC3)CCC2 ZINC000663188626 414039474 /nfs/dbraw/zinc/03/94/74/414039474.db2.gz SKJWBIYSJKVBMU-UHFFFAOYSA-N 2 0 289.408 1.460 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC1CCC1 ZINC001665765959 1173055170 /nfs/dbraw/zinc/05/51/70/1173055170.db2.gz QVNZISLEIGBPPN-KGLIPLIRSA-N 2 0 267.417 1.365 10 0 CDAERP CC[C@H](C)NC(=O)C[N@H+](CCC[NH3+])C1CCCCC1 ZINC000037299752 173105750 /nfs/dbraw/zinc/10/57/50/173105750.db2.gz MVWLKXDMCGLEJJ-ZDUSSCGKSA-N 2 0 269.433 1.885 10 0 CDAERP Cc1nccn1CCCCN1CC[C@@H](O)C(F)(F)C1 ZINC000661408632 414065917 /nfs/dbraw/zinc/06/59/17/414065917.db2.gz LMWLTKHCOZZHOU-GFCCVEGCSA-N 2 0 273.327 1.674 10 0 CDAERP C[NH+]1CCC[C@@]2(CCN(C(=O)N[C@H]3CCC[N@@H+](C)C3)C2)C1 ZINC000655132772 414084089 /nfs/dbraw/zinc/08/40/89/414084089.db2.gz ZCYVVJRULJWCPE-GOEBONIOSA-N 2 0 294.443 1.208 10 0 CDAERP c1cc(CNC[C@@H]2CC[N@@H+](C3CC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000657306989 414147161 /nfs/dbraw/zinc/14/71/61/414147161.db2.gz FXBMKZPKLOCTQS-AWEZNQCLSA-N 2 0 297.406 1.841 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2nccn2CC(F)(F)F)C1 ZINC000655826512 414237110 /nfs/dbraw/zinc/23/71/10/414237110.db2.gz GRXXGMJBHHVQDG-PHIMTYICSA-N 2 0 290.333 1.875 10 0 CDAERP Cc1c(NC[C@@H](C)[NH+](C)C)ncnc1NC[C@H](C)[NH+](C)C ZINC000663439702 414253420 /nfs/dbraw/zinc/25/34/20/414253420.db2.gz UUMOJFWXTKHQRP-TXEJJXNPSA-N 2 0 294.447 1.509 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CO[C@H](CC)C1 ZINC000657389806 414272671 /nfs/dbraw/zinc/27/26/71/414272671.db2.gz OKTDZMLUHZQKCP-BFHYXJOUSA-N 2 0 258.406 1.500 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)CC2CC2)CC1 ZINC000663506915 414310527 /nfs/dbraw/zinc/31/05/27/414310527.db2.gz XOOJWLIKNXVGIK-ZDUSSCGKSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CO1 ZINC000657501031 414401040 /nfs/dbraw/zinc/40/10/40/414401040.db2.gz UTRWSZJRGRGNCO-NEPJUHHUSA-N 2 0 258.325 1.534 10 0 CDAERP CCC[N@H+](CC(=O)NC)Cc1cccc2c1CC[NH2+]C2 ZINC000662251678 414585984 /nfs/dbraw/zinc/58/59/84/414585984.db2.gz DIGSHAKYPRATKZ-UHFFFAOYSA-N 2 0 275.396 1.290 10 0 CDAERP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662264282 414600014 /nfs/dbraw/zinc/60/00/14/414600014.db2.gz HVBXRETTWXYJCI-CHWSQXEVSA-N 3 0 259.397 1.501 10 0 CDAERP CO[C@H](C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)C1CCCC1 ZINC000662267563 414603386 /nfs/dbraw/zinc/60/33/86/414603386.db2.gz WWSRWVAGFNNKRO-CABCVRRESA-N 2 0 252.402 1.877 10 0 CDAERP CCc1ccc([C@H]2C[NH2+]CCN2C[C@H]2C[NH2+]CCO2)cc1 ZINC000662271459 414604958 /nfs/dbraw/zinc/60/49/58/414604958.db2.gz HHZOPQUCMPBHRC-IAGOWNOFSA-N 2 0 289.423 1.184 10 0 CDAERP COc1ccc(C[N@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)cn1 ZINC000662295838 414622212 /nfs/dbraw/zinc/62/22/12/414622212.db2.gz MWQVCQWGSTVUBU-ZDUSSCGKSA-N 2 0 277.368 1.043 10 0 CDAERP CCCN(C)CC(C)(C)[NH2+]C[C@H]1CCNC(=O)CC1 ZINC000662181374 414556251 /nfs/dbraw/zinc/55/62/51/414556251.db2.gz YZCIZYVGFWLKKD-CYBMUJFWSA-N 2 0 269.433 1.613 10 0 CDAERP CC(C)NC(=O)[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000662228753 414575027 /nfs/dbraw/zinc/57/50/27/414575027.db2.gz CINBHXDMOCLWRR-CQSZACIVSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@@]1(C(N)=O)CC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000662315456 414633331 /nfs/dbraw/zinc/63/33/31/414633331.db2.gz PVDUTWIVYDYTQM-MRXNPFEDSA-N 2 0 273.380 1.030 10 0 CDAERP CCCCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508475 174303455 /nfs/dbraw/zinc/30/34/55/174303455.db2.gz FMBKSLUBEJFQKL-CYBMUJFWSA-N 2 0 253.390 1.073 10 0 CDAERP C[NH2+]C[C@H]1CCCN(C2CC[NH+](C(C)C)CC2)C1 ZINC000040591879 174347817 /nfs/dbraw/zinc/34/78/17/174347817.db2.gz UKOQJWIQDAGDEE-CQSZACIVSA-N 2 0 253.434 1.791 10 0 CDAERP C[C@@H]([NH2+]CCc1nccn1C)C1CC[NH+](C)CC1 ZINC000040639024 174363097 /nfs/dbraw/zinc/36/30/97/174363097.db2.gz BIMGOZGTOZUMJS-GFCCVEGCSA-N 2 0 250.390 1.283 10 0 CDAERP CCC[NH+]1CCC([C@H](C)[NH2+]C(C)(C)C(N)=O)CC1 ZINC000040674471 174372565 /nfs/dbraw/zinc/37/25/65/174372565.db2.gz KPNWXIWTUARYEJ-NSHDSACASA-N 2 0 255.406 1.350 10 0 CDAERP [NH3+]CC1(N2CCO[C@@H]3CCCC[C@H]32)CCOCC1 ZINC000043424830 175040222 /nfs/dbraw/zinc/04/02/22/175040222.db2.gz YTDPQJDSZRZVKY-CHWSQXEVSA-N 2 0 254.374 1.138 10 0 CDAERP CCC[NH2+][C@H]1CCC[C@H]1N1CC[NH+](CCC)CC1 ZINC000043805625 175107585 /nfs/dbraw/zinc/10/75/85/175107585.db2.gz ZHVZYVXXTOKKBT-LSDHHAIUSA-N 2 0 253.434 1.935 10 0 CDAERP CCC[NH+]1CCN([C@@H]2COc3ccccc3[C@@H]2[NH2+]C)CC1 ZINC000043805386 175107728 /nfs/dbraw/zinc/10/77/28/175107728.db2.gz JUOBLNOZNRXMRX-WBVHZDCISA-N 2 0 289.423 1.736 10 0 CDAERP CC[NH+]1CCN(C[C@@H]([NH2+]C)c2cc(C)ccc2OC)CC1 ZINC000043805857 175108168 /nfs/dbraw/zinc/10/81/68/175108168.db2.gz HHUIGOOOMXMHIH-MRXNPFEDSA-N 2 0 291.439 1.902 10 0 CDAERP CC[NH2+][C@@H](CN1CC[NH+](CC)CC1)c1cccc(OC)c1 ZINC000043806044 175108187 /nfs/dbraw/zinc/10/81/87/175108187.db2.gz HOFNATWMZCVPKX-KRWDZBQOSA-N 2 0 291.439 1.983 10 0 CDAERP C[NH2+][C@H](CN1CC[NH+](C)CC1)c1cc(C)ccc1C ZINC000043810515 175109361 /nfs/dbraw/zinc/10/93/61/175109361.db2.gz UQLHACMLNCPBBZ-MRXNPFEDSA-N 2 0 261.413 1.811 10 0 CDAERP CCC[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000043810992 175110070 /nfs/dbraw/zinc/11/00/70/175110070.db2.gz POXVLJHZZRCDHZ-KRWDZBQOSA-N 2 0 291.439 1.983 10 0 CDAERP CC[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1C ZINC000043810786 175110393 /nfs/dbraw/zinc/11/03/93/175110393.db2.gz ZTSQTYFZHZFGFU-INIZCTEOSA-N 2 0 261.413 1.893 10 0 CDAERP C[NH2+][C@H]1c2ccccc2C[C@H]1N1CCC([NH+](C)C)CC1 ZINC000043897297 175119758 /nfs/dbraw/zinc/11/97/58/175119758.db2.gz JXJOPTVRCYIMAL-SJORKVTESA-N 2 0 273.424 1.898 10 0 CDAERP CC[NH2+][C@@H]1CCC[C@@H]1N1CC[NH+](CC2CC2)CC1 ZINC000043967933 175129368 /nfs/dbraw/zinc/12/93/68/175129368.db2.gz NOOWMXAJBZRWIQ-CABCVRRESA-N 2 0 251.418 1.545 10 0 CDAERP CCC[NH2+][C@@H]1CCOC[C@H]1N(CC[NH+](C)C)CC(C)C ZINC000043982412 175133975 /nfs/dbraw/zinc/13/39/75/175133975.db2.gz GXQOERVZJAHKLE-HZPDHXFCSA-N 2 0 285.476 1.663 10 0 CDAERP C[NH+](C)CC1CC[NH+]([C@@H]2CCCCC[C@@H]2O)CC1 ZINC000044169678 175148817 /nfs/dbraw/zinc/14/88/17/175148817.db2.gz SLKQPPNCVXWVIW-CABCVRRESA-N 2 0 254.418 1.954 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCC[C@@H](C)[NH2+]1)[NH+]1CCCCC1 ZINC000045010325 175289552 /nfs/dbraw/zinc/28/95/52/175289552.db2.gz RYFCQIAWOBZXGJ-MCIONIFRSA-N 2 0 267.417 1.508 10 0 CDAERP CCCNC(=O)CC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](CC)C1 ZINC000045072504 175301973 /nfs/dbraw/zinc/30/19/73/175301973.db2.gz UHLIRSWRUXCXMY-UONOGXRCSA-N 2 0 269.433 1.613 10 0 CDAERP CC(C)[NH2+][C@@](C)(CCCC[NH+]1CCCC1)C(N)=O ZINC000045375299 175366308 /nfs/dbraw/zinc/36/63/08/175366308.db2.gz YVGKDBFJZUKVPQ-AWEZNQCLSA-N 2 0 255.406 1.495 10 0 CDAERP CCC[NH2+][C@@](C)(CCC[N@H+](CC)CC(C)C)C(N)=O ZINC000045381857 175369849 /nfs/dbraw/zinc/36/98/49/175369849.db2.gz ZHGDNTRHGXTGRJ-HNNXBMFYSA-N 2 0 271.449 1.988 10 0 CDAERP CCC[NH2+][C@](C)(CCC[N@H+](CC)CC(C)C)C(N)=O ZINC000045381861 175370150 /nfs/dbraw/zinc/37/01/50/175370150.db2.gz ZHGDNTRHGXTGRJ-OAHLLOKOSA-N 2 0 271.449 1.988 10 0 CDAERP COC(=O)[C@](C)([NH3+])CCC[N@H+](CCN(C)C)CC(C)C ZINC000045420910 175380288 /nfs/dbraw/zinc/38/02/88/175380288.db2.gz OZVLFKHDGLVAEB-OAHLLOKOSA-N 2 0 287.448 1.177 10 0 CDAERP C[C@H](C[C@](C)([NH3+])CO)N1CCC([NH+]2CCCCC2)CC1 ZINC000070513794 175962579 /nfs/dbraw/zinc/96/25/79/175962579.db2.gz JAKXPRKQOUQZKQ-ZBFHGGJFSA-N 2 0 283.460 1.425 10 0 CDAERP CC[NH2+][C@H]1CCCN(CCC[NH+](CC)CC)C1=O ZINC000071033352 176023467 /nfs/dbraw/zinc/02/34/67/176023467.db2.gz RFIHZXXLHIXCLO-ZDUSSCGKSA-N 2 0 255.406 1.319 10 0 CDAERP CC(C)[NH2+][C@H]1CCN([C@H](C)C[NH+]2CCCC2)C1=O ZINC000071033549 176024390 /nfs/dbraw/zinc/02/43/90/176024390.db2.gz XTWATGUCDMLIRD-OLZOCXBDSA-N 2 0 253.390 1.070 10 0 CDAERP CC[NH+]1CCC(CN2CC[C@@H]([NH2+]C3CC3)C2=O)CC1 ZINC000071036460 176025903 /nfs/dbraw/zinc/02/59/03/176025903.db2.gz MFMKEWOZRGKHBT-CQSZACIVSA-N 2 0 265.401 1.071 10 0 CDAERP CC(C)[NH2+][C@@H]1CCCN(CC[NH+]2CCCC2)C1=O ZINC000071042522 176028800 /nfs/dbraw/zinc/02/88/00/176028800.db2.gz VGTNOFIHTIYAAO-CYBMUJFWSA-N 2 0 253.390 1.071 10 0 CDAERP CC[C@H]1CCC[C@@](C[NH3+])(N2CC[NH+](CC)CC2)C1 ZINC000071122966 176035270 /nfs/dbraw/zinc/03/52/70/176035270.db2.gz LAUPXTOFTDQWFO-LSDHHAIUSA-N 2 0 253.434 1.922 10 0 CDAERP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)c2cccc(-n3cnnn3)c2)C1 ZINC000071141928 176040231 /nfs/dbraw/zinc/04/02/31/176040231.db2.gz ZIJBGYGZQVNIFI-QWHCGFSZSA-N 2 0 286.383 1.265 10 0 CDAERP Cc1cc(C)c(C[NH3+])c(N(C)C[C@H]2CC[N@H+](C)C2)n1 ZINC000071187577 176060684 /nfs/dbraw/zinc/06/06/84/176060684.db2.gz VFTBOGUSWKONOG-ZDUSSCGKSA-N 3 0 262.401 1.545 10 0 CDAERP CC(C)C[NH2+]C[C@@]1(CN(C)C[C@@H]2CC[N@H+](C)C2)CCOC1 ZINC000071191475 176070385 /nfs/dbraw/zinc/07/03/85/176070385.db2.gz WBMYANZHNBVSCT-IAGOWNOFSA-N 2 0 297.487 1.522 10 0 CDAERP C[NH2+][C@H]1CCCN(CCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000071198142 176077082 /nfs/dbraw/zinc/07/70/82/176077082.db2.gz BVPPGJGJGGVBED-GJZGRUSLSA-N 2 0 253.434 1.935 10 0 CDAERP CCC[NH2+][C@@H]1CCCN(C[C@@H]2CCCC[N@@H+]2C)C1 ZINC000071200679 176077512 /nfs/dbraw/zinc/07/75/12/176077512.db2.gz UZJWHQSQHVUUQK-CABCVRRESA-N 2 0 253.434 1.935 10 0 CDAERP C[N@@H+]1CCC[C@H](CN2CCC[C@H]([NH2+]C3CC3)C2)C1 ZINC000071200657 176077663 /nfs/dbraw/zinc/07/76/63/176077663.db2.gz IYTHTCDQAHRCGM-ZFWWWQNUSA-N 2 0 251.418 1.545 10 0 CDAERP CC(C)[NH2+][C@H]1CCCN([C@@H](C)C[NH+]2CCCC2)C1 ZINC000071201233 176077832 /nfs/dbraw/zinc/07/78/32/176077832.db2.gz MQRCZTFRPPOAHJ-GJZGRUSLSA-N 2 0 253.434 1.933 10 0 CDAERP CCC[N@H+](CCO)Cc1ccc(F)cc1C(N)=[NH2+] ZINC000071267783 176101097 /nfs/dbraw/zinc/10/10/97/176101097.db2.gz JBIMSFSTLAEBSW-UHFFFAOYSA-N 2 0 253.321 1.314 10 0 CDAERP C[C@H](CC[NH3+])CCC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000079119450 177437277 /nfs/dbraw/zinc/43/72/77/177437277.db2.gz MUTRRNUUBBQCKP-AWEZNQCLSA-N 2 0 283.460 1.990 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000417538205 287389662 /nfs/dbraw/zinc/38/96/62/287389662.db2.gz UBTIWUXKPGDSCD-ZIAGYGMSSA-N 2 0 296.459 1.643 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000417531447 287389986 /nfs/dbraw/zinc/38/99/86/287389986.db2.gz JOOGDSMXLIAVKD-FMKPAKJESA-N 2 0 296.459 1.630 10 0 CDAERP CN1CCN(C(=O)Nc2ccc3cnccc3c2)[C@@H](C[NH3+])C1 ZINC000518341194 260380051 /nfs/dbraw/zinc/38/00/51/260380051.db2.gz FCZOPYXWKDSOGN-HNNXBMFYSA-N 2 0 299.378 1.341 10 0 CDAERP CC(C)[N@H+](C[C@H]1CCC(=O)N1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415138153 263275903 /nfs/dbraw/zinc/27/59/03/263275903.db2.gz JTFCBTZZPYXICO-MGPQQGTHSA-N 2 0 267.417 1.364 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001666976741 1173214773 /nfs/dbraw/zinc/21/47/73/1173214773.db2.gz KOXIFYLCFNDNPL-STQMWFEESA-N 2 0 287.423 1.513 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C[C@H]2C[NH2+]CCO2)C1 ZINC000662260159 423804943 /nfs/dbraw/zinc/80/49/43/423804943.db2.gz IUOGLYNLXOUVTD-IXDOHACOSA-N 2 0 295.471 1.561 10 0 CDAERP CC1CC[NH+](C[C@@H]2CCCN(C[C@@H]3C[NH2+]CCO3)C2)CC1 ZINC000662259704 423805730 /nfs/dbraw/zinc/80/57/30/423805730.db2.gz AFAFOMZSVCRVQY-IRXDYDNUSA-N 2 0 295.471 1.419 10 0 CDAERP CC(=O)N1CCC([NH2+]CCC[N@@H+](C)CC(C)C)CC1 ZINC000651865756 423829279 /nfs/dbraw/zinc/82/92/79/423829279.db2.gz GTQLLEONSZTITB-UHFFFAOYSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@@H](C[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1)c1nccs1 ZINC000662276935 423846991 /nfs/dbraw/zinc/84/69/91/423846991.db2.gz AUQHTVDCVCEIIO-NWDGAFQWSA-N 2 0 281.425 1.699 10 0 CDAERP COc1cccc(C[C@@H](C)NC(=O)[C@H](N)CC[NH+](C)C)c1 ZINC000653090054 423919579 /nfs/dbraw/zinc/91/95/79/423919579.db2.gz CYBYXBBJBURZAD-IUODEOHRSA-N 2 0 293.411 1.021 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)NCCC1(C[NH3+])CC1 ZINC000652193404 424015019 /nfs/dbraw/zinc/01/50/19/424015019.db2.gz IAGPLHHXPLIZMF-CYBMUJFWSA-N 2 0 284.448 1.535 10 0 CDAERP CCN(C(=O)NC[C@@H](C)[NH+](C)C1CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000664000205 424097471 /nfs/dbraw/zinc/09/74/71/424097471.db2.gz WXTFLJIQDFCTGK-UKRRQHHQSA-N 2 0 296.459 1.595 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000652201581 424050161 /nfs/dbraw/zinc/05/01/61/424050161.db2.gz JQHILSQURYGPPQ-AWEZNQCLSA-N 2 0 284.448 1.406 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000652202154 424052700 /nfs/dbraw/zinc/05/27/00/424052700.db2.gz BFSOLXJGJNBULW-CYBMUJFWSA-N 2 0 290.411 1.205 10 0 CDAERP C[NH+](C)[C@]1(CNC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)CCSC1 ZINC000653110866 424281951 /nfs/dbraw/zinc/28/19/51/424281951.db2.gz XGSZYKJRMMEWGN-GUTXKFCHSA-N 2 0 297.468 1.071 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000662731072 424384009 /nfs/dbraw/zinc/38/40/09/424384009.db2.gz XKBFYYBQDZNODH-HZSPNIEDSA-N 2 0 269.433 1.502 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000662731074 424384779 /nfs/dbraw/zinc/38/47/79/424384779.db2.gz XKBFYYBQDZNODH-MGPQQGTHSA-N 2 0 269.433 1.502 10 0 CDAERP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)CC1([NH3+])CC1 ZINC000662696371 424332412 /nfs/dbraw/zinc/33/24/12/424332412.db2.gz YGOVKMJEBVMZDI-JHJVBQTASA-N 2 0 267.417 1.350 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000653132734 424340324 /nfs/dbraw/zinc/34/03/24/424340324.db2.gz ZXZUFJFZNGWEDT-ZDUSSCGKSA-N 2 0 261.369 1.060 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000653142677 424365242 /nfs/dbraw/zinc/36/52/42/424365242.db2.gz SKSLSQIOANOKSK-CQSZACIVSA-N 2 0 273.380 1.060 10 0 CDAERP C[C@@H](CCCC[NH3+])NC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662779721 424445890 /nfs/dbraw/zinc/44/58/90/424445890.db2.gz MIUNXXHWNFBUBL-VIFPVBQESA-N 2 0 268.361 1.116 10 0 CDAERP C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)[C@@H]1CCOC1 ZINC000400563375 424390379 /nfs/dbraw/zinc/39/03/79/424390379.db2.gz NFCKLISPSDLXNS-ILXRZTDVSA-N 2 0 252.402 1.877 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2c[nH+]ccc2N)C1 ZINC000662844855 424525171 /nfs/dbraw/zinc/52/51/71/424525171.db2.gz BQRWZTYGIOOOIB-LLVKDONJSA-N 2 0 276.384 1.344 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)c1c[nH+]ccc1N(C)C ZINC000652523627 424525473 /nfs/dbraw/zinc/52/54/73/424525473.db2.gz WTPJOXYUCRVPFE-UHFFFAOYSA-N 2 0 292.427 1.855 10 0 CDAERP [NH3+]CC[C@@H](NC(=O)C1([NH2+]C2CC2)CCC1)C(F)(F)F ZINC000662783122 424460216 /nfs/dbraw/zinc/46/02/16/424460216.db2.gz ISIVDFQMFLRHCT-SECBINFHSA-N 2 0 279.306 1.057 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1CC[NH2+]CC ZINC001667302443 1173252030 /nfs/dbraw/zinc/25/20/30/1173252030.db2.gz YCRKTCBVLHHLPQ-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP CC(C)(C)[C@H](O)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000324631920 270331761 /nfs/dbraw/zinc/33/17/61/270331761.db2.gz UBMXQGSBFLWQQD-REWJHTLYSA-N 2 0 254.418 1.904 10 0 CDAERP C[C@@H]1CSC[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000397851165 270351519 /nfs/dbraw/zinc/35/15/19/270351519.db2.gz UTAOZAUHDPJLHL-AGIUHOORSA-N 2 0 258.431 1.174 10 0 CDAERP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1)[C@@H](C)[NH3+] ZINC000423973999 270384669 /nfs/dbraw/zinc/38/46/69/270384669.db2.gz FEPRWXXJQGBNQJ-HKUMRIAESA-N 2 0 255.406 1.049 10 0 CDAERP CN1C(=O)c2ccccc2[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000530222096 271163990 /nfs/dbraw/zinc/16/39/90/271163990.db2.gz FQMOMYGMZSERFN-MAZHCROVSA-N 2 0 287.407 1.920 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])CC1 ZINC000261848524 277582128 /nfs/dbraw/zinc/58/21/28/277582128.db2.gz QEIRVXGNRMVYHV-DZGCQCFKSA-N 2 0 281.444 1.693 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000431847030 278170112 /nfs/dbraw/zinc/17/01/12/278170112.db2.gz UTDXETDBLUSUSS-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)C1CCC1 ZINC000415048145 278253851 /nfs/dbraw/zinc/25/38/51/278253851.db2.gz FRFPXCZVTUIBHG-JEYLPNPQSA-N 2 0 265.445 1.981 10 0 CDAERP CC1(C)[C@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)[C@@H]2CCCO[C@H]21 ZINC000245895457 278445136 /nfs/dbraw/zinc/44/51/36/278445136.db2.gz NABZQGWMPRKQPX-CAOSSQGBSA-N 2 0 296.455 1.626 10 0 CDAERP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CC1CC[NH+](C)CC1 ZINC000335733524 288072505 /nfs/dbraw/zinc/07/25/05/288072505.db2.gz PQQLXCFCRPJHSP-HIFRSBDPSA-N 2 0 281.444 1.517 10 0 CDAERP Cc1ccc([C@@H](CNC(=O)C2C[NH2+]C2)[NH+]2CCCC2)cc1 ZINC000263309899 278843685 /nfs/dbraw/zinc/84/36/85/278843685.db2.gz PBIHFCOMSFBNRF-MRXNPFEDSA-N 2 0 287.407 1.468 10 0 CDAERP CC[NH+](CC)CCC[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000338592601 279099909 /nfs/dbraw/zinc/09/99/09/279099909.db2.gz PBERDOPXPAPOMS-GFCCVEGCSA-N 2 0 255.406 1.365 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000417590750 279271197 /nfs/dbraw/zinc/27/11/97/279271197.db2.gz WKYVCHDJAJMMQG-RBSFLKMASA-N 2 0 294.443 1.254 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000127815790 279349881 /nfs/dbraw/zinc/34/98/81/279349881.db2.gz PWUWEXRADDJDSE-QWHCGFSZSA-N 2 0 255.406 1.268 10 0 CDAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](Cn2cccn2)C(C)C)C1 ZINC000336809756 279395956 /nfs/dbraw/zinc/39/59/56/279395956.db2.gz WQRVUDSXLSUBJE-GJZGRUSLSA-N 2 0 264.417 1.839 10 0 CDAERP CC[C@@H]([NH2+]CCCN1CCCC1=O)[C@@H]1CCC[NH2+]1 ZINC000422759045 280751582 /nfs/dbraw/zinc/75/15/82/280751582.db2.gz FKVWDYIMIBDWLM-OLZOCXBDSA-N 2 0 253.390 1.119 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000334934300 280998824 /nfs/dbraw/zinc/99/88/24/280998824.db2.gz YJNOFIMNNVHOBC-RYUDHWBXSA-N 2 0 267.417 1.350 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC000520818614 281057123 /nfs/dbraw/zinc/05/71/23/281057123.db2.gz VAQSZSUMKDEYBZ-BDAKNGLRSA-N 2 0 255.387 1.275 10 0 CDAERP CC[C@H]1CC[C@@H](C)[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000357557629 281107106 /nfs/dbraw/zinc/10/71/06/281107106.db2.gz YZFCKZXVGXDMBP-HIFRSBDPSA-N 2 0 293.455 1.992 10 0 CDAERP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@@H](O)CC3(O)CCC3)C2)C1 ZINC000528513730 281250717 /nfs/dbraw/zinc/25/07/17/281250717.db2.gz VGDVKZNOPAHSSU-GJZGRUSLSA-N 2 0 282.428 1.070 10 0 CDAERP CCN(CC[NH2+]CC(C)C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001668646360 1173435802 /nfs/dbraw/zinc/43/58/02/1173435802.db2.gz YWZHSRDVALBZOR-HNNXBMFYSA-N 2 0 299.459 1.049 10 0 CDAERP CCN(CC[NH2+]CC1CC(C)(C)C1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001668642123 1173435862 /nfs/dbraw/zinc/43/58/62/1173435862.db2.gz ZLMPFZZZNDHRMX-OAHLLOKOSA-N 2 0 295.471 1.812 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000061611508 289066354 /nfs/dbraw/zinc/06/63/54/289066354.db2.gz AGOBJHMCYPXUGZ-HNNXBMFYSA-N 2 0 275.396 1.282 10 0 CDAERP CCC[C@@H](C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1)[NH+](C)C ZINC000153956753 289188521 /nfs/dbraw/zinc/18/85/21/289188521.db2.gz AICVTXMLXJELEN-GJZGRUSLSA-N 2 0 283.460 1.811 10 0 CDAERP CN(CCC(=O)NC[C@@H](C1CC1)[NH+](C)C)c1cc[nH+]cc1 ZINC000543713573 289609371 /nfs/dbraw/zinc/60/93/71/289609371.db2.gz PKKXTYZEBXEALC-HNNXBMFYSA-N 2 0 290.411 1.364 10 0 CDAERP CN1CCO[C@H](C[N@H+](CC2CC2)CC2CC[NH2+]CC2)C1 ZINC000261924056 290108277 /nfs/dbraw/zinc/10/82/77/290108277.db2.gz KURFPZNSEIVMKB-INIZCTEOSA-N 2 0 281.444 1.029 10 0 CDAERP CC[N@@H+]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)[C@@H](C)C1 ZINC000557527011 290350352 /nfs/dbraw/zinc/35/03/52/290350352.db2.gz IGVWXOZYMQVOHF-AWEZNQCLSA-N 2 0 290.411 1.461 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000561199284 293062477 /nfs/dbraw/zinc/06/24/77/293062477.db2.gz YKIMPHOVMIXJLM-HZSPNIEDSA-N 2 0 296.459 1.404 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](CN)C1CCCCC1 ZINC000423260166 293096674 /nfs/dbraw/zinc/09/66/74/293096674.db2.gz GTJBFLLNHFRIDH-KBPBESRZSA-N 2 0 257.422 1.238 10 0 CDAERP C[C@@H]1CN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CC[C@H]1[NH3+] ZINC000563102924 293275138 /nfs/dbraw/zinc/27/51/38/293275138.db2.gz NTZCIZMOSIMMLE-HZSPNIEDSA-N 2 0 267.417 1.447 10 0 CDAERP [NH3+]CCCCC(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000567909035 293904522 /nfs/dbraw/zinc/90/45/22/293904522.db2.gz YPHAYOKTASRLRW-OLZOCXBDSA-N 2 0 253.390 1.106 10 0 CDAERP C[C@@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+]1CCCCC1 ZINC000570581185 294267199 /nfs/dbraw/zinc/26/71/99/294267199.db2.gz DCOSTCFJLIJFLO-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP C[NH+](C)CCN1CCC([NH2+]C[C@H](O)CC2CCCC2)CC1 ZINC000572274777 294591715 /nfs/dbraw/zinc/59/17/15/294591715.db2.gz NIKCWAZUIULEBD-QGZVFWFLSA-N 2 0 297.487 1.543 10 0 CDAERP CC[NH2+]C/C=C/CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001668883900 1173475396 /nfs/dbraw/zinc/47/53/96/1173475396.db2.gz VMYYNVMZYDCYFH-ONEGZZNKSA-N 2 0 265.401 1.144 10 0 CDAERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCCC(C)(C)C2)CC1 ZINC000573914705 294909728 /nfs/dbraw/zinc/90/97/28/294909728.db2.gz PQHQCQGAGXTXSV-HUUCEWRRSA-N 2 0 283.460 1.153 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000574861955 295065063 /nfs/dbraw/zinc/06/50/63/295065063.db2.gz OZNCIYNMICEKJN-VHDGCEQUSA-N 2 0 275.396 1.581 10 0 CDAERP C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000574881597 295069816 /nfs/dbraw/zinc/06/98/16/295069816.db2.gz GUQGUNACNXRZPW-UONOGXRCSA-N 2 0 273.424 1.857 10 0 CDAERP COc1ccc([C@@H](N[C@@H]2CCC[NH2+]C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423358844 295216911 /nfs/dbraw/zinc/21/69/11/295216911.db2.gz OAHPBUHAWDPFTE-HYVNUMGLSA-N 2 0 289.423 1.830 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371232274 295306958 /nfs/dbraw/zinc/30/69/58/295306958.db2.gz RNQIGWFGWZLLHK-RQJABVFESA-N 2 0 265.401 1.104 10 0 CDAERP O=C(CCC1CC[NH2+]CC1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000362433866 295471193 /nfs/dbraw/zinc/47/11/93/295471193.db2.gz PWBHZDGUBDGCJE-CVEARBPZSA-N 2 0 293.455 1.757 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]([NH+](C)C)C2)CC[N@@H+]1C ZINC000468105500 300399012 /nfs/dbraw/zinc/39/90/12/300399012.db2.gz ZWQRYTIZSNRJBI-MELADBBJSA-N 2 0 267.417 1.269 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)CC1(C[NH3+])CCCCC1 ZINC000335305494 300674288 /nfs/dbraw/zinc/67/42/88/300674288.db2.gz PIVTUUQHJHATNV-RYUDHWBXSA-N 2 0 253.390 1.234 10 0 CDAERP [NH3+][C@@H]1CCC[C@H](NC(=O)N2CCC3(CC[NH2+]C3)CC2)C1 ZINC000334954719 303464574 /nfs/dbraw/zinc/46/45/74/303464574.db2.gz DVVJEPQJAAVEGT-OLZOCXBDSA-N 2 0 280.416 1.041 10 0 CDAERP CC(C)CCC[NH2+]C[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001669715323 1173589382 /nfs/dbraw/zinc/58/93/82/1173589382.db2.gz FBGBAVZSJZKRNC-LSDHHAIUSA-N 2 0 283.460 1.859 10 0 CDAERP CC[N@@H+]1CC[C@@](C)(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001671648682 1173700573 /nfs/dbraw/zinc/70/05/73/1173700573.db2.gz JRYYIYITGDQVDR-DZGCQCFKSA-N 2 0 267.417 1.461 10 0 CDAERP CCC[C@H](C)C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000180032893 316000155 /nfs/dbraw/zinc/00/01/55/316000155.db2.gz YITMAZYIEYEVNI-HNNXBMFYSA-N 2 0 281.444 1.663 10 0 CDAERP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC000563396509 316290074 /nfs/dbraw/zinc/29/00/74/316290074.db2.gz PAVGKZWFWAHMJF-QWHCGFSZSA-N 2 0 255.406 1.173 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CNC[C@H]1CCC[NH2+]C1 ZINC000563427555 316307940 /nfs/dbraw/zinc/30/79/40/316307940.db2.gz PTKUPBJPRLTMNA-AWEZNQCLSA-N 2 0 285.395 1.665 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)[C@H]1n1cccn1 ZINC000576003189 317057641 /nfs/dbraw/zinc/05/76/41/317057641.db2.gz NPCREDBTWWSQBD-UXXRCYHCSA-N 2 0 278.400 1.461 10 0 CDAERP C[C@H]1CN(C(=O)NCC2([NH3+])CCCCCC2)CC[NH2+]1 ZINC000576569284 317163256 /nfs/dbraw/zinc/16/32/56/317163256.db2.gz BDSLOYROGXXJHT-LBPRGKRZSA-N 2 0 268.405 1.041 10 0 CDAERP [NH3+][C@H]1CCC[C@H]1[NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000576695450 317188015 /nfs/dbraw/zinc/18/80/15/317188015.db2.gz SGTXUAFXBMYNEG-CBBWQLFWSA-N 2 0 279.428 1.637 10 0 CDAERP CN(C(=O)CC[C@H]1CCCC[N@@H+]1C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000579709079 324259800 /nfs/dbraw/zinc/25/98/00/324259800.db2.gz RTCAMVKFKLXARC-IUOOZAAYSA-N 2 0 293.455 1.992 10 0 CDAERP O=C(c1ccc2c(c1)C[NH2+]C2)N1CCC2(CC[NH2+]2)CC1 ZINC000582180314 324923723 /nfs/dbraw/zinc/92/37/23/324923723.db2.gz JNAQFZGOMTWSHI-UHFFFAOYSA-N 2 0 271.364 1.258 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC(C)(C)C[NH+]2CCCC2)C1 ZINC000582616136 325011260 /nfs/dbraw/zinc/01/12/60/325011260.db2.gz ILYFPUCWEMXQLJ-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN[C@H]1CC[NH2+][C@@H](C)C1 ZINC000583309794 325148939 /nfs/dbraw/zinc/14/89/39/325148939.db2.gz YVQKKWRAYKXSGK-WFASDCNBSA-N 2 0 285.395 1.806 10 0 CDAERP C[C@@H](CC(=O)N1CC2CCC1(C[NH3+])CC2)C1CC[NH2+]CC1 ZINC000583388543 325166573 /nfs/dbraw/zinc/16/65/73/325166573.db2.gz MZOBPHZIWMCIRX-CBCUQQMYSA-N 2 0 293.455 1.742 10 0 CDAERP CC[C@H]1C[N@H+](C)CCN1C(=O)NCC1([NH3+])CCCCCC1 ZINC000583861569 325254455 /nfs/dbraw/zinc/25/44/55/325254455.db2.gz QKKQYIGLRRPFLS-AWEZNQCLSA-N 2 0 296.459 1.774 10 0 CDAERP CC[NH2+]CCc1ccc(CNC(=O)[C@H](CC)[NH+](C)C)cc1 ZINC001267097941 1159119145 /nfs/dbraw/zinc/11/91/45/1159119145.db2.gz XIJRFWOWUSBIJX-INIZCTEOSA-N 2 0 291.439 1.795 10 0 CDAERP CN(CC[N@H+](C)CC[C@@H]1CCCCO1)C(=O)CC[NH+](C)C ZINC001420004047 1159540021 /nfs/dbraw/zinc/54/00/21/1159540021.db2.gz GOLCFPRKAZCGCD-HNNXBMFYSA-N 2 0 299.459 1.288 10 0 CDAERP O[C@@H]1CC[N@@H+](C2CC[NH+](C[C@H]3CC=CCC3)CC2)C1 ZINC000668739138 482220875 /nfs/dbraw/zinc/22/08/75/482220875.db2.gz JDLKUZKYKUACCI-GOEBONIOSA-N 2 0 264.413 1.874 10 0 CDAERP C(C[C@@H]1CCOC1)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000668440699 482438688 /nfs/dbraw/zinc/43/86/88/482438688.db2.gz QMSLMLNCUIEBHQ-MRXNPFEDSA-N 2 0 296.455 1.894 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CSC[C@H]1C ZINC000668476183 482450375 /nfs/dbraw/zinc/45/03/75/482450375.db2.gz ZGUJHMINBNGOAE-RDBSUJKOSA-N 2 0 273.490 1.600 10 0 CDAERP CC[C@@H](C)[N@H+](CC)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000661105004 482491758 /nfs/dbraw/zinc/49/17/58/482491758.db2.gz CBOMIZHQLLNEOH-CYBMUJFWSA-N 2 0 281.444 1.850 10 0 CDAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000668667346 482499126 /nfs/dbraw/zinc/49/91/26/482499126.db2.gz VSIVXAVNZHHXPA-ZSHCYNCHSA-N 2 0 295.471 1.765 10 0 CDAERP CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC[C@H]1[NH3+] ZINC000669515840 482538062 /nfs/dbraw/zinc/53/80/62/482538062.db2.gz FOXFLLCITOIEPA-SEBNEYGDSA-N 2 0 279.428 1.493 10 0 CDAERP CCC[N@@H+]1CC[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000659608173 482591723 /nfs/dbraw/zinc/59/17/23/482591723.db2.gz AFKVMIPXJPELBQ-PEUVFPKISA-N 2 0 294.443 1.395 10 0 CDAERP C[NH+](C)Cc1cc(CNC(=O)C[NH2+]C2CC2)ccc1F ZINC000237047800 482636045 /nfs/dbraw/zinc/63/60/45/482636045.db2.gz AJWJUDJAGDZBGR-UHFFFAOYSA-N 2 0 279.359 1.256 10 0 CDAERP CCn1cnnc1CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000671752403 482644420 /nfs/dbraw/zinc/64/44/20/482644420.db2.gz VAGSMICJFFYZRP-MJBXVCDLSA-N 2 0 277.416 1.303 10 0 CDAERP [NH3+][C@H](Cc1ccccc1)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334358583 482720010 /nfs/dbraw/zinc/72/00/10/482720010.db2.gz SXNFEJYNSLFOIX-NVXWUHKLSA-N 2 0 287.407 1.159 10 0 CDAERP NC(=O)c1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000334398918 482723305 /nfs/dbraw/zinc/72/33/05/482723305.db2.gz DPDTZHCIXBAFRN-INIZCTEOSA-N 2 0 273.380 1.361 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000257738430 482750368 /nfs/dbraw/zinc/75/03/68/482750368.db2.gz WKZKWWAFWNNEQX-HZSPNIEDSA-N 2 0 267.417 1.637 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000233017046 482895145 /nfs/dbraw/zinc/89/51/45/482895145.db2.gz OHFKDAVJTHIYNW-ZDUSSCGKSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261639310 482917551 /nfs/dbraw/zinc/91/75/51/482917551.db2.gz CKOZVNLFNDNSSL-ZVDSWSACSA-N 2 0 295.471 1.844 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000261839127 482934673 /nfs/dbraw/zinc/93/46/73/482934673.db2.gz UTPXUXICXAWIMK-RRFJBIMHSA-N 2 0 281.444 1.552 10 0 CDAERP CN(Cc1ccccc1)C[C@H](O)C[N@H+](C)C[C@@H](O)C1CC1 ZINC000674314137 483002679 /nfs/dbraw/zinc/00/26/79/483002679.db2.gz XGOZFAXZEXSIIE-DLBZAZTESA-N 2 0 292.423 1.182 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1CCC[C@@H]1C[NH3+])C1CCCC1 ZINC000089462400 483086761 /nfs/dbraw/zinc/08/67/61/483086761.db2.gz YRYYYCZKKDOWKC-OCCSQVGLSA-N 2 0 267.417 1.352 10 0 CDAERP C[C@H]1CN(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC[NH2+]1 ZINC000667148658 483110582 /nfs/dbraw/zinc/11/05/82/483110582.db2.gz LGIPVCNAYVTSKX-NSHDSACASA-N 2 0 286.339 1.093 10 0 CDAERP CN(Cc1cocn1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000685457063 483130755 /nfs/dbraw/zinc/13/07/55/483130755.db2.gz BDONELMQXNTYOR-HNNXBMFYSA-N 2 0 278.400 1.275 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000685474570 483143184 /nfs/dbraw/zinc/14/31/84/483143184.db2.gz BYSAWTNWBMJATI-ZDUSSCGKSA-N 2 0 299.378 1.273 10 0 CDAERP C[NH+](C)CC[C@H](NC(=O)NC/C=C\C[NH3+])C(C)(C)C ZINC000669487199 483270199 /nfs/dbraw/zinc/27/01/99/483270199.db2.gz OOJFICONUJHQHL-DGMVEKRQSA-N 2 0 270.421 1.167 10 0 CDAERP C[C@@H]1CN(Cc2ccnn2-c2cc[nH+]cc2)C[C@H](C)O1 ZINC000667464172 483300835 /nfs/dbraw/zinc/30/08/35/483300835.db2.gz JMGFZYRLGJEFOS-BETUJISGSA-N 2 0 272.352 1.877 10 0 CDAERP CCC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000675893191 483377900 /nfs/dbraw/zinc/37/79/00/483377900.db2.gz AGEGCUPQOCCIRW-OCCSQVGLSA-N 2 0 267.417 1.495 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CSC2)[C@H](C)C1 ZINC000679625297 483397971 /nfs/dbraw/zinc/39/79/71/483397971.db2.gz FTOYCAKZEDLGOQ-OCCSQVGLSA-N 2 0 272.458 1.828 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)NCC[NH+]1CCC(C)CC1 ZINC000136424739 483402390 /nfs/dbraw/zinc/40/23/90/483402390.db2.gz GZEFLTCUUNTQGF-CYBMUJFWSA-N 2 0 255.406 1.208 10 0 CDAERP CC(C)CC[NH2+]CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001691556266 1160700455 /nfs/dbraw/zinc/70/04/55/1160700455.db2.gz SBALMJNURHBUML-AWEZNQCLSA-N 2 0 269.433 1.422 10 0 CDAERP C[C@]1(CC[NH2+][C@@H]2CNCCOC2)C[C@]1(F)Cl ZINC000925707253 727354821 /nfs/dbraw/zinc/35/48/21/727354821.db2.gz DSRIIVOHLWXXPY-OUAUKWLOSA-N 2 0 250.745 1.269 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000049225432 519814213 /nfs/dbraw/zinc/81/42/13/519814213.db2.gz PDCQOFFWFZHGFN-AGIUHOORSA-N 2 0 255.406 1.077 10 0 CDAERP CCCC1CC[NH+](CCC[C@](C)([NH2+]C)C(N)=O)CC1 ZINC000050905778 519901034 /nfs/dbraw/zinc/90/10/34/519901034.db2.gz XSQHPIKIHVVUBA-HNNXBMFYSA-N 2 0 269.433 1.742 10 0 CDAERP CC[NH2+]CCC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000061298712 519916329 /nfs/dbraw/zinc/91/63/29/519916329.db2.gz STURRYHTTRQIEJ-UHFFFAOYSA-N 2 0 255.406 1.224 10 0 CDAERP CC[NH2+]C[C@@H](c1ccccc1)N1CCC[N@H+](C)CC1 ZINC000052424425 519949391 /nfs/dbraw/zinc/94/93/91/519949391.db2.gz GIVUMGAMSLNSBW-INIZCTEOSA-N 2 0 261.413 1.975 10 0 CDAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001483676789 1161054040 /nfs/dbraw/zinc/05/40/40/1161054040.db2.gz LNBTYVZLQPFBOV-ZBFHGGJFSA-N 2 0 289.423 1.890 10 0 CDAERP CC[NH2+]Cc1cc(C[N@H+](CC)[C@@H](C)COC)on1 ZINC000052504843 519986917 /nfs/dbraw/zinc/98/69/17/519986917.db2.gz VIARKDWMYSWOGN-NSHDSACASA-N 2 0 255.362 1.641 10 0 CDAERP CCC[NH2+][C@@](C)(C[C@@H](C)N1CCC([NH+](C)C)CC1)C(N)=O ZINC000068625309 520042472 /nfs/dbraw/zinc/04/24/72/520042472.db2.gz RFAINWPIUPKOPF-CJNGLKHVSA-N 2 0 298.475 1.035 10 0 CDAERP CC[NH2+][C@](C)(CCCN1CC[NH+]([C@H](C)CC)CC1)C(N)=O ZINC000055070267 520227943 /nfs/dbraw/zinc/22/79/43/520227943.db2.gz LCFWPMBJFPQCGI-GDBMZVCRSA-N 2 0 298.475 1.036 10 0 CDAERP CCO[C@@H](C[NH3+])CC[N@H+](CCO)Cc1ccccc1 ZINC000062741242 520306846 /nfs/dbraw/zinc/30/68/46/520306846.db2.gz MDLOMNVMNGPIGE-OAHLLOKOSA-N 2 0 266.385 1.235 10 0 CDAERP CCC[C@H](O)[C@H](CC)[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061652701 521191349 /nfs/dbraw/zinc/19/13/49/521191349.db2.gz JVVAUHDNHWNWBZ-GJZGRUSLSA-N 2 0 271.449 1.105 10 0 CDAERP CCC(CC)[C@H](CNC(=O)[C@H](C)[NH3+])[NH+]1CCCC1 ZINC000164391208 521617198 /nfs/dbraw/zinc/61/71/98/521617198.db2.gz CKQNNZCDIZGXHC-AAEUAGOBSA-N 2 0 255.406 1.350 10 0 CDAERP CCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001714118711 1178980621 /nfs/dbraw/zinc/98/06/21/1178980621.db2.gz XTJKUCIRTDEQLD-CQSZACIVSA-N 2 0 269.433 1.707 10 0 CDAERP C(CN1CCC(C[NH+]2CCCC2)CC1)[NH2+]C[C@H]1CCOC1 ZINC000062037283 518386080 /nfs/dbraw/zinc/38/60/80/518386080.db2.gz NUTCJIUZACHMJI-QGZVFWFLSA-N 2 0 295.471 1.420 10 0 CDAERP CC(C)[NH+](CCNC(=O)[C@@H]1CCCC[C@H]1[NH3+])C(C)C ZINC000055086551 519647379 /nfs/dbraw/zinc/64/73/79/519647379.db2.gz BMKICVMLOXKEBT-ZIAGYGMSSA-N 2 0 269.433 1.739 10 0 CDAERP CC(C)CC[C@H](C)[NH2+]CCN1CCN(CC[NH+](C)C)CC1 ZINC000061655288 519691307 /nfs/dbraw/zinc/69/13/07/519691307.db2.gz CYOWESNHWXQPQO-KRWDZBQOSA-N 2 0 298.519 1.580 10 0 CDAERP CC(C)C[NH+]1CCN(C(=[NH2+])NC2CCCC2)CC1 ZINC000055083358 519722962 /nfs/dbraw/zinc/72/29/62/519722962.db2.gz QGVZZWCRMZWZQI-UHFFFAOYSA-N 2 0 252.406 1.727 10 0 CDAERP CC(C)[C@H](C[NH2+]C1CC1)N1CCC[C@@H]1C[NH+](C)C ZINC000061654673 519815897 /nfs/dbraw/zinc/81/58/97/519815897.db2.gz WOKYGIPDIVYBTP-CABCVRRESA-N 2 0 253.434 1.789 10 0 CDAERP CCC[NH+]1CCN(C(=O)[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000055086466 519856556 /nfs/dbraw/zinc/85/65/56/519856556.db2.gz CZCIJYDCVWPRQV-QWHCGFSZSA-N 2 0 253.390 1.058 10 0 CDAERP CCC[NH+]1CCN(CC2(C[NH2+]C(C)C)CCOCC2)CC1 ZINC000052180605 519857305 /nfs/dbraw/zinc/85/73/05/519857305.db2.gz WQWDAIQXJKUEPF-UHFFFAOYSA-N 2 0 297.487 1.809 10 0 CDAERP CCC[NH+]1CCN(CCC[C@@H]2CCCC[NH2+]2)CC1 ZINC000050952448 519858063 /nfs/dbraw/zinc/85/80/63/519858063.db2.gz JDTJRICCHHAFAD-HNNXBMFYSA-N 2 0 253.434 1.936 10 0 CDAERP CCC[NH+]1CCN(Cc2[nH+]c(NN)ccc2Cl)CC1 ZINC000061631623 519859220 /nfs/dbraw/zinc/85/92/20/519859220.db2.gz LZENMSYHOQKKRU-UHFFFAOYSA-N 2 0 283.807 1.548 10 0 CDAERP CC[NH2+]CCC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000061298247 519916277 /nfs/dbraw/zinc/91/62/77/519916277.db2.gz OFQJMECNTVLUBO-UKRRQHHQSA-N 2 0 269.433 1.613 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@@H](C[NH+]2CCC(OC)CC2)O1 ZINC000052455416 519924357 /nfs/dbraw/zinc/92/43/57/519924357.db2.gz LLDPQPKYHQMJJD-GJZGRUSLSA-N 2 0 270.417 1.644 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)N1CCC([NH+](CC)CC)CC1 ZINC000061272839 520062383 /nfs/dbraw/zinc/06/23/83/520062383.db2.gz OUEQVYNPOFVGMG-ZDUSSCGKSA-N 2 0 269.433 1.707 10 0 CDAERP CC[NH2+][C@@H]1CCCC[C@@H]1CN1CCN(CC[NH+](C)C)CC1 ZINC000061653816 520116204 /nfs/dbraw/zinc/11/62/04/520116204.db2.gz PMSKRKNGMNDHDO-IAGOWNOFSA-N 2 0 296.503 1.334 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000061271968 520162673 /nfs/dbraw/zinc/16/26/73/520162673.db2.gz TXSBOFNBPSYXIF-CYBMUJFWSA-N 2 0 269.433 1.706 10 0 CDAERP CCCCOCC[NH+]1CCN(C[C@H](C)C[NH3+])CC1 ZINC000049261683 520762165 /nfs/dbraw/zinc/76/21/65/520762165.db2.gz YHALXCGHJMKEAC-CQSZACIVSA-N 2 0 257.422 1.016 10 0 CDAERP CC1CC[NH+](CCNC(=O)[C@H]2CCC[C@H](C[NH3+])C2)CC1 ZINC000055162015 521013447 /nfs/dbraw/zinc/01/34/47/521013447.db2.gz HZPPATMJHWTRLH-GJZGRUSLSA-N 2 0 281.444 1.600 10 0 CDAERP CCC[C@H]([NH3+])C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000236798734 521106274 /nfs/dbraw/zinc/10/62/74/521106274.db2.gz RJMQZBPZPAJJAO-AWEZNQCLSA-N 2 0 269.433 1.694 10 0 CDAERP CCN(C[C@@H]1CCCO1)C1(C[NH3+])CC[NH+](C(C)C)CC1 ZINC000048953490 521226863 /nfs/dbraw/zinc/22/68/63/521226863.db2.gz LPYADSGBRCJAIC-HNNXBMFYSA-N 2 0 283.460 1.689 10 0 CDAERP CC[NH+]1CCC([C@@H](C)[NH2+]Cc2cnc(C)cn2)CC1 ZINC000061320438 521582382 /nfs/dbraw/zinc/58/23/82/521582382.db2.gz ACAHLVLAKIKQSC-CYBMUJFWSA-N 2 0 262.401 1.995 10 0 CDAERP CCOC1CC[NH+](C[C@H]2CC[C@@H](C[NH2+]C)O2)CC1 ZINC000052484078 521655716 /nfs/dbraw/zinc/65/57/16/521655716.db2.gz QYXNPBDSFCEBTJ-UONOGXRCSA-N 2 0 256.390 1.254 10 0 CDAERP C[NH+](C)CCN1CCN(c2cc(Cl)ccc2C[NH3+])CC1 ZINC000062787053 521766374 /nfs/dbraw/zinc/76/63/74/521766374.db2.gz POOMSUVBZNBCHL-UHFFFAOYSA-N 2 0 296.846 1.482 10 0 CDAERP C[NH2+]C(C)(C)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000061318290 521935558 /nfs/dbraw/zinc/93/55/58/521935558.db2.gz QBCSWMJBNHHHKR-UHFFFAOYSA-N 2 0 255.406 1.365 10 0 CDAERP C[NH2+]CC1(C[N@H+](CCO)Cc2ccccc2)CCOCC1 ZINC000052182093 521968403 /nfs/dbraw/zinc/96/84/03/521968403.db2.gz CWWFBMMJQGCXOW-UHFFFAOYSA-N 2 0 292.423 1.497 10 0 CDAERP C[NH2+]C[C@H](c1ccccc1)N1CC[NH+](CC2CC2)CC1 ZINC000052372534 522077478 /nfs/dbraw/zinc/07/74/78/522077478.db2.gz LCXNDIJDHWWZTP-QGZVFWFLSA-N 2 0 273.424 1.975 10 0 CDAERP C[NH2+]C[C@H]1CC[C@H](C[N@H+](CCN(C)C)CC(C)C)O1 ZINC000052503387 522096285 /nfs/dbraw/zinc/09/62/85/522096285.db2.gz UBWYAKUJUYMWFL-HUUCEWRRSA-N 2 0 271.449 1.273 10 0 CDAERP CC[C@@H](C)[NH+]1CCN([C@@H]2CC3(CC[C@@H]2[NH3+])OCCO3)CC1 ZINC000055065418 522128132 /nfs/dbraw/zinc/12/81/32/522128132.db2.gz DYKBIHMNAQVGIT-QLFBSQMISA-N 2 0 297.443 1.025 10 0 CDAERP CC[C@H](CC[NH3+])N1CCC[N@H+](CCCn2ccnc2)CC1 ZINC000049327491 522128706 /nfs/dbraw/zinc/12/87/06/522128706.db2.gz UMXPCQBBEFHIFR-MRXNPFEDSA-N 2 0 293.459 1.408 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(c2nc3sccn3c2C[NH3+])CC1 ZINC000055068754 522138000 /nfs/dbraw/zinc/13/80/00/522138000.db2.gz JFUWUVIEZGQPSH-LLVKDONJSA-N 2 0 293.440 1.775 10 0 CDAERP C[NH2+]Cc1cnc(N2CCC[C@@H]2C[NH+](C)C)s1 ZINC000061655446 522146252 /nfs/dbraw/zinc/14/62/52/522146252.db2.gz UXUIEGSXYSRPEY-SNVBAGLBSA-N 2 0 254.403 1.393 10 0 CDAERP C[NH2+]Cc1coc(C[N@H+](CCOC)[C@@H](C)COC)c1 ZINC000052572386 522149863 /nfs/dbraw/zinc/14/98/63/522149863.db2.gz MHMFEICPFIKDOP-LBPRGKRZSA-N 2 0 270.373 1.482 10 0 CDAERP CC[C@H](C[NH2+]C)N1CCC([NH+]2CCCCC2)CC1 ZINC000052484173 522191621 /nfs/dbraw/zinc/19/16/21/522191621.db2.gz GHCFVPPISMGBRW-CQSZACIVSA-N 2 0 253.434 1.935 10 0 CDAERP C[NH2+][C@@H](CN1CCC([NH+]2CCCCC2)CC1)C1CC1 ZINC000069074014 522354549 /nfs/dbraw/zinc/35/45/49/522354549.db2.gz ZEFGQQWQCZDDCE-INIZCTEOSA-N 2 0 265.445 1.935 10 0 CDAERP CCc1nc(N2CCC(C[NH+](C)C)CC2)sc1C[NH3+] ZINC000054999440 522382546 /nfs/dbraw/zinc/38/25/46/522382546.db2.gz QZJDDPUGKINJGY-UHFFFAOYSA-N 2 0 282.457 1.942 10 0 CDAERP C[NH2+][C@@](C)(CCCC[N@@H+]1CCCC(C)(C)C1)C(N)=O ZINC000069516475 522406092 /nfs/dbraw/zinc/40/60/92/522406092.db2.gz NUWGWRDIACZLQO-HNNXBMFYSA-N 2 0 269.433 1.742 10 0 CDAERP C[NH2+][C@](C)(C[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1)C(=O)[O-] ZINC000068632292 522520119 /nfs/dbraw/zinc/52/01/19/522520119.db2.gz WYCFFJHKQWOOAT-IUODEOHRSA-N 2 0 285.432 1.101 10 0 CDAERP COC[C@H](C)[N@H+](C)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052182476 522593566 /nfs/dbraw/zinc/59/35/66/522593566.db2.gz ILKVPILOCWOHTQ-AWEZNQCLSA-N 2 0 272.433 1.748 10 0 CDAERP CC[C@@H]([NH3+])[C@@H](c1cnn(C)c1)N1CC[NH+](CC(C)C)CC1 ZINC000055077029 522650730 /nfs/dbraw/zinc/65/07/30/522650730.db2.gz HUZIMTIJQOYLPP-HZPDHXFCSA-N 2 0 293.459 1.472 10 0 CDAERP C[N@H+](CCc1ccncc1)Cc1ccnc(C[NH3+])c1 ZINC000068749780 522976784 /nfs/dbraw/zinc/97/67/84/522976784.db2.gz CQBWYZMKGWWRLU-UHFFFAOYSA-N 2 0 256.353 1.610 10 0 CDAERP CC[C@H]1CCC[N@H+](CCn2cc(C[NH2+]C)nn2)C1 ZINC000052479770 523090818 /nfs/dbraw/zinc/09/08/18/523090818.db2.gz LVTKJLTVGKQGAZ-LBPRGKRZSA-N 2 0 251.378 1.120 10 0 CDAERP COCC[N@H+](C)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052197729 523576495 /nfs/dbraw/zinc/57/64/95/523576495.db2.gz IJNQTQZDKVFHRT-UHFFFAOYSA-N 2 0 272.433 1.750 10 0 CDAERP C[NH+]1CCC(OC(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000061609958 523780368 /nfs/dbraw/zinc/78/03/68/523780368.db2.gz MQLRGORDUMQIES-CQSZACIVSA-N 2 0 262.353 1.366 10 0 CDAERP CN(C(=O)CC1CCC([NH3+])CC1)[C@H]1CCC[N@H+](C)C1 ZINC000055131538 523795580 /nfs/dbraw/zinc/79/55/80/523795580.db2.gz HSRRBMXIGONDCY-RUXDESIVSA-N 2 0 267.417 1.447 10 0 CDAERP C[NH+]1CCN(Cc2cccc(C[NH2+]C3CC3)c2)CC1 ZINC000052379288 523911755 /nfs/dbraw/zinc/91/17/55/523911755.db2.gz KDBCTCRXPGTXFO-UHFFFAOYSA-N 2 0 259.397 1.686 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000055078252 523948415 /nfs/dbraw/zinc/94/84/15/523948415.db2.gz QPNBCYWZGBFUOW-KBPBESRZSA-N 2 0 267.417 1.319 10 0 CDAERP CC[C@H](C)[NH+]1CCN(CCCC[C@@](C)([NH3+])C(=O)OC)CC1 ZINC000055071079 523952775 /nfs/dbraw/zinc/95/27/75/523952775.db2.gz XYWUKNRWQKWVAG-GOEBONIOSA-N 2 0 299.459 1.463 10 0 CDAERP C[NH+](C)CC1CCN(C(=O)C[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000055134944 524048421 /nfs/dbraw/zinc/04/84/21/524048421.db2.gz RNFQRCOUQXKMSX-GJZGRUSLSA-N 2 0 281.444 1.694 10 0 CDAERP C[C@H]1CCC[C@@H](C(=O)N2CC[NH+](C(C)(C)C)CC2)[C@@H]1[NH3+] ZINC000055141088 524127934 /nfs/dbraw/zinc/12/79/34/524127934.db2.gz CNGWCVXBHCGJCI-BFHYXJOUSA-N 2 0 281.444 1.693 10 0 CDAERP C[C@@H]1CCCC[C@@H]1[N@H+](C)CCN1CCC[NH2+]CC1 ZINC000061275531 524132119 /nfs/dbraw/zinc/13/21/19/524132119.db2.gz JFPQIFLSUOALGL-CABCVRRESA-N 2 0 253.434 1.792 10 0 CDAERP C[C@H](CC[NH+](C)C)[NH2+]C[C@H](O)c1ccc2c(c1)OCO2 ZINC000049557352 524165878 /nfs/dbraw/zinc/16/58/78/524165878.db2.gz HVOPKUWFGFZOKD-YPMHNXCESA-N 2 0 280.368 1.379 10 0 CDAERP C[C@H](C[NH+]1CCCC1)NC(=O)CCC1CCC([NH3+])CC1 ZINC000055140739 524314456 /nfs/dbraw/zinc/31/44/56/524314456.db2.gz OMZXJINKNHQIBD-WLYUNCDWSA-N 2 0 281.444 1.885 10 0 CDAERP C[C@@H]1CCC[C@H](C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)[C@@H]1[NH3+] ZINC000055131556 524344675 /nfs/dbraw/zinc/34/46/75/524344675.db2.gz GCYKZPCCWBJEKS-YIYPIFLZSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)NCC[NH+]1CCCCCC1 ZINC000055136250 524391114 /nfs/dbraw/zinc/39/11/14/524391114.db2.gz ATEHUOFHPIONNA-QLFBSQMISA-N 2 0 281.444 1.742 10 0 CDAERP C[C@@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000055138518 524684130 /nfs/dbraw/zinc/68/41/30/524684130.db2.gz XAKQBAUMZRYVLK-RFGFWPKPSA-N 2 0 267.417 1.208 10 0 CDAERP C[C@H]1C[C@@H]([NH3+])CC[C@@H]1C(=O)NCCCC[NH+](C)C ZINC000055138999 524790975 /nfs/dbraw/zinc/79/09/75/524790975.db2.gz CFCNYRGVNYWMDC-AVGNSLFASA-N 2 0 255.406 1.208 10 0 CDAERP C[C@H]1C[C@H](C(=O)NCCCC[NH+](C)C)CC[C@@H]1[NH3+] ZINC000055138933 524868921 /nfs/dbraw/zinc/86/89/21/524868921.db2.gz LMVFEQMHMHURRV-XQQFMLRXSA-N 2 0 255.406 1.208 10 0 CDAERP C[C@@H]1C[N@@H+](CCCCNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC000246176426 524943042 /nfs/dbraw/zinc/94/30/42/524943042.db2.gz BPRVGGJEHYWMCN-LXTVHRRPSA-N 2 0 297.443 1.119 10 0 CDAERP COc1ccc([C@@H]([NH3+])CN2CC[NH+](CC(C)C)CC2)cc1 ZINC000055079017 525189093 /nfs/dbraw/zinc/18/90/93/525189093.db2.gz KIGZJDCODKRHIE-KRWDZBQOSA-N 2 0 291.439 1.969 10 0 CDAERP C[C@@H]1C[C@@H]([NH3+])CC[C@@H]1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000055132668 525246225 /nfs/dbraw/zinc/24/62/25/525246225.db2.gz SNQJDCTWSLRDDY-YCPHGPKFSA-N 2 0 293.455 1.837 10 0 CDAERP COc1ccc([C@H](C[NH3+])N2CCC[N@H+](C)CC2)cc1C ZINC000050596511 525351713 /nfs/dbraw/zinc/35/17/13/525351713.db2.gz LEMFKLOUBQVNFU-HNNXBMFYSA-N 2 0 277.412 1.641 10 0 CDAERP C[C@@]([NH3+])(CN[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000052883624 525751000 /nfs/dbraw/zinc/75/10/00/525751000.db2.gz FRZPEXUWDDFMAS-GOEBONIOSA-N 2 0 259.397 1.687 10 0 CDAERP O=C(C[N@@H+]1CC[C@@H](c2ccccc2)C1)N1CCC[NH2+]CC1 ZINC000050599383 526803502 /nfs/dbraw/zinc/80/35/02/526803502.db2.gz HMPZCGDZDSDJAS-MRXNPFEDSA-N 2 0 287.407 1.298 10 0 CDAERP NC(=O)C[N@H+](CCC[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000052764506 526881100 /nfs/dbraw/zinc/88/11/00/526881100.db2.gz VDKMOMJTNAPSGW-LBPRGKRZSA-N 2 0 253.390 1.249 10 0 CDAERP [NH3+]C1(CNC(=O)CCC2CC[NH2+]CC2)CCCCCC1 ZINC000154514226 527129587 /nfs/dbraw/zinc/12/95/87/527129587.db2.gz UANKBOMHRVTKIP-UHFFFAOYSA-N 2 0 281.444 1.934 10 0 CDAERP [NH3+]CC1(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)CCCCCC1 ZINC000062941447 527162078 /nfs/dbraw/zinc/16/20/78/527162078.db2.gz ILCYLFMCOMDNIF-HNNXBMFYSA-N 2 0 293.455 1.982 10 0 CDAERP [NH3+]CC1(CN2CCC([NH+]3CCCCC3)CC2)CCOCC1 ZINC000052182179 527163240 /nfs/dbraw/zinc/16/32/40/527163240.db2.gz HHTCGKWTGGPLGG-UHFFFAOYSA-N 2 0 295.471 1.692 10 0 CDAERP [NH3+]Cc1cnc(N2CC[NH+](CC3CC3)CC2)s1 ZINC000054898776 527261839 /nfs/dbraw/zinc/26/18/39/527261839.db2.gz BENQDRPCQGOIIF-UHFFFAOYSA-N 2 0 252.387 1.134 10 0 CDAERP [NH3+][C@H]1CCC[C@H](C(=O)NCC[NH+]2CCCCCC2)C1 ZINC000055089291 527406860 /nfs/dbraw/zinc/40/68/60/527406860.db2.gz UOMYWMNMUQVSSU-KBPBESRZSA-N 2 0 267.417 1.496 10 0 CDAERP CC(C)C[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)[NH+](C)C ZINC000251350081 535312360 /nfs/dbraw/zinc/31/23/60/535312360.db2.gz BFIJPZHACZSZIM-JJXSEGSLSA-N 2 0 295.471 2.000 10 0 CDAERP C[NH+](C)CCOc1ccc(CNC2=[NH+]CCCN2)cc1 ZINC000261747730 535905131 /nfs/dbraw/zinc/90/51/31/535905131.db2.gz JFSFSSPZHDWLRQ-UHFFFAOYSA-N 2 0 276.384 1.066 10 0 CDAERP C[NH2+]CCc1ccccc1C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000422545875 536446846 /nfs/dbraw/zinc/44/68/46/536446846.db2.gz XWEHWHAPCIYAIW-QGZVFWFLSA-N 2 0 297.402 1.878 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1cn2cc(C)ccc2n1 ZINC000422707694 536595821 /nfs/dbraw/zinc/59/58/21/536595821.db2.gz ANNMTHPYLNVPLY-CYBMUJFWSA-N 2 0 276.384 1.486 10 0 CDAERP COCC[C@@H](C)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000088510193 538283834 /nfs/dbraw/zinc/28/38/34/538283834.db2.gz HTRHDBAHBBKLCL-CVEARBPZSA-N 2 0 283.460 1.513 10 0 CDAERP C[C@@H]1C[N@H+](C)C[C@@H]1NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000756117570 576977963 /nfs/dbraw/zinc/97/79/63/576977963.db2.gz CLAOHRIXHAMWPG-KBMXLJTQSA-N 2 0 281.444 1.170 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1CC)C1CC1 ZINC001690014603 1175347181 /nfs/dbraw/zinc/34/71/81/1175347181.db2.gz JRGBPEYZHYQDJQ-OAHLLOKOSA-N 2 0 281.444 1.851 10 0 CDAERP C[NH+]1CCC2(CC1)[NH2+]CC(C)(C)[C@@]1(CCOC1)O2 ZINC000757147057 617318383 /nfs/dbraw/zinc/31/83/83/617318383.db2.gz RUUOYFHZLBDYNL-ZDUSSCGKSA-N 2 0 254.374 1.213 10 0 CDAERP COCCCN(C)CC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925516406 617425476 /nfs/dbraw/zinc/42/54/76/617425476.db2.gz KYIAOZHJRBGDSI-KGLIPLIRSA-N 2 0 271.449 1.450 10 0 CDAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000926202943 617515022 /nfs/dbraw/zinc/51/50/22/617515022.db2.gz OEOLDGLVAUOPKF-TWMKSMIVSA-N 2 0 277.456 1.957 10 0 CDAERP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1CC[C@H](CO)CC1)[NH2+]2 ZINC000925614253 617559408 /nfs/dbraw/zinc/55/94/08/617559408.db2.gz HMCRUVXYHNANIE-UQGHGMQMSA-N 2 0 252.402 1.656 10 0 CDAERP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCCCS2(=O)=O)C[C@@H]([NH3+])C1 ZINC000925635046 617581039 /nfs/dbraw/zinc/58/10/39/617581039.db2.gz NZCNMVIYFYPPCZ-AGIUHOORSA-N 2 0 288.457 1.449 10 0 CDAERP CC1(CC[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)OCCO1 ZINC000925640385 617584375 /nfs/dbraw/zinc/58/43/75/617584375.db2.gz RUIPXDBNLXCMJD-LSDHHAIUSA-N 2 0 282.428 1.897 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc2c(c1)C[C@H](C)O2 ZINC000925830911 617850590 /nfs/dbraw/zinc/85/05/90/617850590.db2.gz IHFHNEKYUPWBEK-WFASDCNBSA-N 2 0 278.396 1.854 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[NH2+]C2CCN(c3ccccn3)CC2)C1 ZINC000925875054 617945280 /nfs/dbraw/zinc/94/52/80/617945280.db2.gz CTJAHSHHXUMFSO-UONOGXRCSA-N 2 0 274.412 1.767 10 0 CDAERP C[N@@H+]1C[C@@H]2CN(C[C@@H](O)CC3(O)CCCCC3)C[C@]2(C)C1 ZINC000933733316 617599240 /nfs/dbraw/zinc/59/92/40/617599240.db2.gz CBQUCAKIHBDVQF-PMPSAXMXSA-N 2 0 296.455 1.316 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc2c(c1)OCC(=O)N2 ZINC000925782890 617699473 /nfs/dbraw/zinc/69/94/73/617699473.db2.gz BBWNLDDYTLRZKG-MDZLAQPJSA-N 2 0 289.379 1.524 10 0 CDAERP C[C@H]([NH2+]CC1CCC(S(C)(=O)=O)CC1)[C@@H]1CCC[NH2+]1 ZINC000925798596 617727601 /nfs/dbraw/zinc/72/76/01/617727601.db2.gz LXZJJXKMQOHBIA-ABXWRUBCSA-N 2 0 288.457 1.320 10 0 CDAERP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000925825280 617805590 /nfs/dbraw/zinc/80/55/90/617805590.db2.gz YRTNRDFZSPNLEG-SIGMRYCASA-N 2 0 264.413 1.778 10 0 CDAERP C[N@H+]1CC=C(C[NH2+][C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000925711499 617807851 /nfs/dbraw/zinc/80/78/51/617807851.db2.gz ZRXZGIFIWSVUSW-JKSUJKDBSA-N 2 0 263.429 1.855 10 0 CDAERP CC1(C)[C@H]([NH2+][C@H]2CC23CC[NH2+]CC3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925713746 617819986 /nfs/dbraw/zinc/81/99/86/617819986.db2.gz YQQVJFOLOPVETH-ZOBORPQBSA-N 2 0 263.429 1.495 10 0 CDAERP C(C[C@@H]1CCCOC1)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925720309 617843745 /nfs/dbraw/zinc/84/37/45/617843745.db2.gz GEJFSQODAKTQCS-XDSHMYFISA-N 2 0 250.386 1.389 10 0 CDAERP C1=C[C@@H](C[NH2+][C@@H]2CC[NH2+]C23CCCC3)[C@H]2CO[C@@H]1C2 ZINC000925830049 617848786 /nfs/dbraw/zinc/84/87/86/617848786.db2.gz IFWVCYHFHHIWIB-LJISPDSOSA-N 2 0 262.397 1.842 10 0 CDAERP C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925850921 617886443 /nfs/dbraw/zinc/88/64/43/617886443.db2.gz ABZHYWBWNCULSF-HZSPNIEDSA-N 2 0 280.412 1.840 10 0 CDAERP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+]C2CCC(O)CC2)C1 ZINC000925883187 617970450 /nfs/dbraw/zinc/97/04/50/617970450.db2.gz XUYOQNZCPWEJLV-MMBWHQMPSA-N 2 0 274.408 1.939 10 0 CDAERP CCOC(=O)N1CCC([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000925883077 617970496 /nfs/dbraw/zinc/97/04/96/617970496.db2.gz UDLYQMZKBAJYNF-NEPJUHHUSA-N 2 0 269.389 1.324 10 0 CDAERP C[C@@H](C1CC1)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000782186482 618058328 /nfs/dbraw/zinc/05/83/28/618058328.db2.gz KGFMHQRGCXDJEW-YCPHGPKFSA-N 2 0 265.445 1.743 10 0 CDAERP CCN(CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CC[NH2+]C1 ZINC000923424038 618328943 /nfs/dbraw/zinc/32/89/43/618328943.db2.gz CPUIWJKGQLNNJE-JALIKCBVSA-N 2 0 251.418 1.591 10 0 CDAERP O[C@@H](Cc1ccccc1)C[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000923426192 618332825 /nfs/dbraw/zinc/33/28/25/618332825.db2.gz LMPXVPKXVPWSJV-INIZCTEOSA-N 2 0 274.408 1.808 10 0 CDAERP C[C@@H]1[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC[N@@H+]1C ZINC000928431780 619030571 /nfs/dbraw/zinc/03/05/71/619030571.db2.gz AVRRJVULPREQTR-BPLDGKMQSA-N 2 0 279.428 1.602 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)[C@H](c2ccccc2)N(C)C)CC[N@@H+]1C ZINC000928440931 619085799 /nfs/dbraw/zinc/08/57/99/619085799.db2.gz OFNXZFHFQMVAPC-SNPRPXQTSA-N 2 0 275.396 1.498 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC000896753466 620224226 /nfs/dbraw/zinc/22/42/26/620224226.db2.gz YCVBPDFDYALQCR-HOCLYGCPSA-N 2 0 279.428 1.415 10 0 CDAERP CN(C(=O)[C@@H]1CC[NH+]1C(C)(C)C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000896989276 620339099 /nfs/dbraw/zinc/33/90/99/620339099.db2.gz QDGZKMGZDAPHNI-KGLIPLIRSA-N 2 0 279.428 1.554 10 0 CDAERP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@H]1CC[NH+](C)[C@@H]1C ZINC000925321708 621533191 /nfs/dbraw/zinc/53/31/91/621533191.db2.gz APIVMLOLVRSUCI-RDBSUJKOSA-N 2 0 282.432 1.061 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])N[C@@H](C)C1CC1 ZINC000899267873 622145368 /nfs/dbraw/zinc/14/53/68/622145368.db2.gz WZFULOJBUOSYRI-AAEUAGOBSA-N 2 0 252.406 1.773 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900586152 623296418 /nfs/dbraw/zinc/29/64/18/623296418.db2.gz IDZWFPIUEDDMBO-CABCVRRESA-N 2 0 281.444 1.804 10 0 CDAERP C1C[C@@H]2[NH2+][C@H]1C[C@@H]2[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000902463001 624852765 /nfs/dbraw/zinc/85/27/65/624852765.db2.gz YQUKXZHSWPABQF-MBIARJLFSA-N 2 0 250.386 1.674 10 0 CDAERP CO[C@@]1(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CCSC1 ZINC000903317360 625970649 /nfs/dbraw/zinc/97/06/49/625970649.db2.gz SWIZSJJJEQMVTE-GXTWGEPZSA-N 2 0 272.458 1.971 10 0 CDAERP CCO[C@H]1C[C@H](O)C12CC[NH+](C[C@@H]1C[NH2+]C[C@H]1C)CC2 ZINC000903438971 625992021 /nfs/dbraw/zinc/99/20/21/625992021.db2.gz AAKQRHUJLBKTCE-QPSCCSFWSA-N 2 0 282.428 1.094 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN(Cc3ccsc3)CC2)C1 ZINC000903441335 625992972 /nfs/dbraw/zinc/99/29/72/625992972.db2.gz NYHNSKSWYPEOBB-DZGCQCFKSA-N 2 0 279.453 1.993 10 0 CDAERP CCC[C@]1(C)C(=O)NCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903457671 625993747 /nfs/dbraw/zinc/99/37/47/625993747.db2.gz YWBXXLHOGXHHAZ-MBNYWOFBSA-N 2 0 253.390 1.104 10 0 CDAERP CS(=O)(=O)C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000903458745 625994473 /nfs/dbraw/zinc/99/44/73/625994473.db2.gz IOMDEPXQWNXJCM-VHDGCEQUSA-N 2 0 296.436 1.489 10 0 CDAERP FC1(F)[C@@H]2C[C@@H](C[N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)C[C@@H]21 ZINC000903448888 626000120 /nfs/dbraw/zinc/00/01/20/626000120.db2.gz MMSTUSBESLLZLF-FVCCEPFGSA-N 2 0 256.340 1.963 10 0 CDAERP COc1ccccc1[C@@H]1C[NH2+]CCN1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903450350 626000428 /nfs/dbraw/zinc/00/04/28/626000428.db2.gz UODHBKBLGZGVLL-YCPHGPKFSA-N 2 0 289.423 1.769 10 0 CDAERP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CCc1ccns1 ZINC000903450244 626000441 /nfs/dbraw/zinc/00/04/41/626000441.db2.gz RBNCMCVOJSJYBN-LBPRGKRZSA-N 2 0 296.440 1.005 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000903453512 626001250 /nfs/dbraw/zinc/00/12/50/626001250.db2.gz AHGAWONPNXRLIZ-TUVASFSCSA-N 3 0 251.418 1.163 10 0 CDAERP CCOC(=O)N(C)C1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903455328 626002095 /nfs/dbraw/zinc/00/20/95/626002095.db2.gz ULVQAJMSGPBHFV-OLZOCXBDSA-N 2 0 283.416 1.667 10 0 CDAERP C[C@@H]1C[N@H+](CCc2ccc(C(N)=O)cc2)C[C@H]1CC[NH3+] ZINC000903498289 626008756 /nfs/dbraw/zinc/00/87/56/626008756.db2.gz CBTMQBZHLBWSGE-IUODEOHRSA-N 2 0 275.396 1.245 10 0 CDAERP C[NH2+]C[C@@](C)(O)CN1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000903490803 626010650 /nfs/dbraw/zinc/01/06/50/626010650.db2.gz IVXOAGKBFWDMHV-NXEZZACHSA-N 2 0 284.297 1.323 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCC=C(C)C)C2 ZINC000903494756 626011270 /nfs/dbraw/zinc/01/12/70/626011270.db2.gz NHPPGLCTYMQBQH-GUTXKFCHSA-N 2 0 266.385 1.555 10 0 CDAERP C[C@@]1(C2CC[NH+](C[C@@H]3CC[C@H]([NH3+])C3)CC2)COC(=O)N1 ZINC000903564266 626020880 /nfs/dbraw/zinc/02/08/80/626020880.db2.gz SIEAHCOUXRBXSI-ZLDLUXBVSA-N 2 0 281.400 1.324 10 0 CDAERP Cn1nccc1[C@@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000903566628 626021739 /nfs/dbraw/zinc/02/17/39/626021739.db2.gz WRXYWVAXBIQHBH-ZFWWWQNUSA-N 2 0 262.401 1.947 10 0 CDAERP C(CN1CC[NH2+]CCC12CCOCC2)C[NH+]1CCCCC1 ZINC000903818671 626102178 /nfs/dbraw/zinc/10/21/78/626102178.db2.gz RRWLMNVTQAHHDB-UHFFFAOYSA-N 2 0 295.471 1.707 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@H+](C)Cc2ccccc2)cnn1C ZINC000903873979 626127638 /nfs/dbraw/zinc/12/76/38/626127638.db2.gz PXDAUZIYHYMRFK-MRXNPFEDSA-N 2 0 286.423 1.978 10 0 CDAERP CC(C)OCCC[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903926008 626148799 /nfs/dbraw/zinc/14/87/99/626148799.db2.gz QYAMMEUZPUVIRK-CYBMUJFWSA-N 2 0 281.404 1.107 10 0 CDAERP C[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1nnnn1C1CC1 ZINC000903937200 626155364 /nfs/dbraw/zinc/15/53/64/626155364.db2.gz DWGNEOXUCJDDCT-WAAKLRNESA-N 2 0 276.388 1.189 10 0 CDAERP CCc1nn(C)cc1C[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903974175 626169242 /nfs/dbraw/zinc/16/92/42/626169242.db2.gz KXCBPDNCYVBQLO-VXGBXAGGSA-N 2 0 250.390 1.318 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903983896 626173598 /nfs/dbraw/zinc/17/35/98/626173598.db2.gz NCYAXXLHGBFGGM-HBNTYKKESA-N 2 0 267.339 1.571 10 0 CDAERP [NH3+]C[C@@H](c1nc(CC2CC[NH2+]CC2)no1)c1ccccc1 ZINC000905319223 626746864 /nfs/dbraw/zinc/74/68/64/626746864.db2.gz WRBGIVVUNLUTHO-CQSZACIVSA-N 2 0 286.379 1.702 10 0 CDAERP CSC1(CNC(=O)C23CC[NH+](CC2)C3)CC[NH+](C)CC1 ZINC000908284782 628111838 /nfs/dbraw/zinc/11/18/38/628111838.db2.gz AEOBRIAKGLXXCB-UHFFFAOYSA-N 2 0 297.468 1.026 10 0 CDAERP C[N@@H+]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C(C)(C)C ZINC000912026958 629721892 /nfs/dbraw/zinc/72/18/92/629721892.db2.gz LSCNUAXQSRZECO-ZDUSSCGKSA-N 2 0 279.428 1.271 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)C12CC[NH+](CC1)C2 ZINC000912718796 630166545 /nfs/dbraw/zinc/16/65/45/630166545.db2.gz BPEGRLZYZCUPQY-UHFFFAOYSA-N 2 0 267.417 1.319 10 0 CDAERP C[NH+]1C[C@]2(C)CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@]2(C)C1 ZINC000913278242 630421555 /nfs/dbraw/zinc/42/15/55/630421555.db2.gz CTIZXSFOEMNBMC-IAGOWNOFSA-N 2 0 298.390 1.748 10 0 CDAERP C[NH+]1C[C@]2(C)CN(C(=O)[C@@H]3CCC[N@@H+]3C3CC3)C[C@@]2(C)C1 ZINC000913278971 630422475 /nfs/dbraw/zinc/42/24/75/630422475.db2.gz NNRFNMUITXCPDT-USXIJHARSA-N 2 0 291.439 1.413 10 0 CDAERP C[NH+](C)C1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000913392368 630469073 /nfs/dbraw/zinc/46/90/73/630469073.db2.gz BHWJJUQXFLTTJV-CQSZACIVSA-N 2 0 279.428 1.556 10 0 CDAERP O[C@H](C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)C1(O)CCCC1 ZINC000929690586 630707643 /nfs/dbraw/zinc/70/76/43/630707643.db2.gz USNLVOKCLKFDPC-JKSUJKDBSA-N 2 0 296.455 1.603 10 0 CDAERP CC[NH+]1CCC(CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000916031984 631897055 /nfs/dbraw/zinc/89/70/55/631897055.db2.gz IFCJNZFHIMFYTL-TZMCWYRMSA-N 2 0 282.432 1.110 10 0 CDAERP CC[N@H+](CCNC(=O)N[C@@H]1CC[NH+](C)[C@@H]1C)C(C)C ZINC000916165185 631931234 /nfs/dbraw/zinc/93/12/34/631931234.db2.gz PPBQJBYMKVBMNG-CHWSQXEVSA-N 2 0 270.421 1.109 10 0 CDAERP Cn1nc2c(c1C[NH2+]CC1CC[NH+](C)CC1)CCC2 ZINC000921688677 633180428 /nfs/dbraw/zinc/18/04/28/633180428.db2.gz BELPXDUURGSTHV-UHFFFAOYSA-N 2 0 262.401 1.340 10 0 CDAERP CC(C)CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001266638470 1158713327 /nfs/dbraw/zinc/71/33/27/1158713327.db2.gz UWMABLKJBGAWGA-RBSFLKMASA-N 2 0 281.444 1.611 10 0 CDAERP CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CCCF)C1)[NH+](C)C ZINC001691234382 1158969163 /nfs/dbraw/zinc/96/91/63/1158969163.db2.gz XFNDQYKWTZSFSP-BFHYXJOUSA-N 2 0 287.423 1.561 10 0 CDAERP CCC[NH2+]CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001691359894 1159034190 /nfs/dbraw/zinc/03/41/90/1159034190.db2.gz HRBHLRWSILJEMJ-KBPBESRZSA-N 2 0 267.417 1.461 10 0 CDAERP c1ncc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)[nH]1 ZINC000088750896 1158736078 /nfs/dbraw/zinc/73/60/78/1158736078.db2.gz JUSMYUHCZIBAKN-UHFFFAOYSA-N 2 0 257.341 1.563 10 0 CDAERP C[N@@H+]1CCN(C(=O)[C@H]2CCCC[C@H]2[NH3+])CC1(C)C ZINC000250808321 1159295262 /nfs/dbraw/zinc/29/52/62/1159295262.db2.gz SHNNCOXMYDAVII-NWDGAFQWSA-N 2 0 253.390 1.057 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001483602901 1160954835 /nfs/dbraw/zinc/95/48/35/1160954835.db2.gz WNTRQAYSGAOSBQ-UONOGXRCSA-N 2 0 297.418 1.315 10 0 CDAERP CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001484109225 1161254771 /nfs/dbraw/zinc/25/47/71/1161254771.db2.gz WPSFFYJUVHZLQZ-ZFWWWQNUSA-N 2 0 267.417 1.319 10 0 CDAERP C[NH+](C)C[C@@H]1CN(c2ccc(F)cn2)C[C@H]1C[NH+](C)C ZINC000866012280 1164721572 /nfs/dbraw/zinc/72/15/72/1164721572.db2.gz WXFNTGHYEPVXAQ-CHWSQXEVSA-N 2 0 280.391 1.396 10 0 CDAERP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000870973397 1165244982 /nfs/dbraw/zinc/24/49/82/1165244982.db2.gz UXZLVSROYAZMIR-KLLKFSIISA-N 2 0 277.412 1.164 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)N1CC[NH+](C)CC1 ZINC000872032780 1165374108 /nfs/dbraw/zinc/37/41/08/1165374108.db2.gz ACMXISMUJSWJGF-OAGGEKHMSA-N 2 0 297.487 1.806 10 0 CDAERP CC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001640213828 1167006496 /nfs/dbraw/zinc/00/64/96/1167006496.db2.gz MDHLWSDQZJDTJR-KGLIPLIRSA-N 2 0 267.417 1.176 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000058858450 1167264404 /nfs/dbraw/zinc/26/44/04/1167264404.db2.gz SRMPPAPQISLLDC-UHFFFAOYSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@H](CNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH+]1CCCC[C@H]1C ZINC001646222696 1167704452 /nfs/dbraw/zinc/70/44/52/1167704452.db2.gz SNTHSEDZALNUMR-INMHGKMJSA-N 2 0 293.455 1.851 10 0 CDAERP Cc1n[nH]c(=O)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c1C ZINC001647187412 1168434550 /nfs/dbraw/zinc/43/45/50/1168434550.db2.gz YOQBZEXHTCGDKJ-BPLDGKMQSA-N 2 0 290.411 1.761 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CCC[C@@H](C[NH2+]CCF)C1 ZINC001566909696 1168462886 /nfs/dbraw/zinc/46/28/86/1168462886.db2.gz CXTSLAOOOKRIOW-AWEZNQCLSA-N 2 0 287.423 1.516 10 0 CDAERP COCCC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001567368622 1168713245 /nfs/dbraw/zinc/71/32/45/1168713245.db2.gz ZTXPSOJZOZNNIR-OAHLLOKOSA-N 2 0 297.443 1.088 10 0 CDAERP CN(CC[NH2+]CCCCCF)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001567496652 1168811876 /nfs/dbraw/zinc/81/18/76/1168811876.db2.gz SKICWVYTIOYGSV-OAHLLOKOSA-N 2 0 299.434 1.516 10 0 CDAERP CC/C=C\CC[NH2+]C[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001568203185 1169175065 /nfs/dbraw/zinc/17/50/65/1169175065.db2.gz YSEYEPDBNIWYTL-XVWMLYKFSA-N 2 0 293.455 1.780 10 0 CDAERP CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001568338994 1169254422 /nfs/dbraw/zinc/25/44/22/1169254422.db2.gz LHQHDIVNOQNZBH-UONOGXRCSA-N 2 0 269.433 1.469 10 0 CDAERP CC[C@@H](C(=O)NC/C=C/C[NH2+]C/C=C\Cl)[NH+](C)C ZINC001568920306 1169547958 /nfs/dbraw/zinc/54/79/58/1169547958.db2.gz SGCNNVFGIPHTRD-CKXGICACSA-N 2 0 273.808 1.341 10 0 CDAERP CC(C)=CC[NH2+]C/C=C\CNC(=O)CC1CC[NH+](C)CC1 ZINC001568930582 1169553039 /nfs/dbraw/zinc/55/30/39/1169553039.db2.gz JVMVPBQHTIWTHR-PLNGDYQASA-N 2 0 293.455 1.947 10 0 CDAERP O=C(NC/C=C\C[NH2+]CCCF)[C@@]12CC[N@H+](C1)CCC2 ZINC001568957674 1169562625 /nfs/dbraw/zinc/56/26/25/1169562625.db2.gz AOEBFNWLOXQSJB-OYADATRGSA-N 2 0 283.391 1.094 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NC/C=C/C[NH2+]CCC2CCCC2)C1 ZINC001568964024 1169566117 /nfs/dbraw/zinc/56/61/17/1169566117.db2.gz MXHBZTXFCZNGPM-DWTRPJMMSA-N 2 0 293.455 1.780 10 0 CDAERP Cc1c(C(=O)N[C@H]2CC[N@H+](C)[C@H]2C)ccc2c[nH+]cn21 ZINC001650039431 1169638488 /nfs/dbraw/zinc/63/84/88/1169638488.db2.gz MIGCNYWZMQRHHX-FZMZJTMJSA-N 2 0 272.352 1.465 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]CCC(C)C ZINC001569562159 1169925652 /nfs/dbraw/zinc/92/56/52/1169925652.db2.gz GGNRIUSYZWOIBH-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H](O)C[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)CC1 ZINC001570185819 1170104558 /nfs/dbraw/zinc/10/45/58/1170104558.db2.gz SLQJFXBNIKULOB-CABCVRRESA-N 2 0 299.459 1.070 10 0 CDAERP CCCC[NH2+]CC1CC(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001570582545 1170195200 /nfs/dbraw/zinc/19/52/00/1170195200.db2.gz MNUHFTOEIUSZSD-UHFFFAOYSA-N 2 0 269.433 1.611 10 0 CDAERP CCC[NH2+]CC(C)(C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001570675521 1170229182 /nfs/dbraw/zinc/22/91/82/1170229182.db2.gz JSBRVTSHHGLDCL-UHFFFAOYSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)C1C[NH+](C(C)C)C1 ZINC001570864050 1170305314 /nfs/dbraw/zinc/30/53/14/1170305314.db2.gz RDJZYAIFUIQPDC-GFCCVEGCSA-N 2 0 255.406 1.172 10 0 CDAERP CCCCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001571388720 1170405033 /nfs/dbraw/zinc/40/50/33/1170405033.db2.gz WMXNJIKNCVOSKM-GOEBONIOSA-N 2 0 295.471 1.955 10 0 CDAERP COCCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001662349517 1172533898 /nfs/dbraw/zinc/53/38/98/1172533898.db2.gz DBNKNHPLTJEAPK-GJZGRUSLSA-N 2 0 299.459 1.380 10 0 CDAERP CCC[NH2+]CC[C@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001668095489 1173367879 /nfs/dbraw/zinc/36/78/79/1173367879.db2.gz ABMRDHPNDPCEPW-KBPBESRZSA-N 2 0 269.433 1.755 10 0 CDAERP COCC[NH2+]C/C=C\CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001669075574 1173502290 /nfs/dbraw/zinc/50/22/90/1173502290.db2.gz UULKGVVWNJRMRE-YVACAVLKSA-N 2 0 297.443 1.159 10 0 CDAERP [NH3+]C1CCC([NH2+]C[C@@H]2COc3ccccc3O2)CC1 ZINC000094075064 1174461188 /nfs/dbraw/zinc/46/11/88/1174461188.db2.gz XZUDNHPPIBNHEP-WXRRBKDZSA-N 2 0 262.353 1.686 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCCCCF)C2)C1 ZINC001688916701 1175066898 /nfs/dbraw/zinc/06/68/98/1175066898.db2.gz PPHKHLYYMNRAHW-SOUVJXGZSA-N 2 0 299.434 1.562 10 0 CDAERP CC[NH2+]CCCCCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001689158711 1175102346 /nfs/dbraw/zinc/10/23/46/1175102346.db2.gz BQYSJYLFWGATDQ-UHFFFAOYSA-N 2 0 281.444 1.711 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CCCCC[C@H]([NH2+]CCCF)C1 ZINC001689271785 1175133118 /nfs/dbraw/zinc/13/31/18/1175133118.db2.gz QJFFGKPOEGHTSY-HNNXBMFYSA-N 2 0 299.434 1.803 10 0 CDAERP CCOCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001691979361 1175662004 /nfs/dbraw/zinc/66/20/04/1175662004.db2.gz JSFWTWPNUWMYNR-GJZGRUSLSA-N 2 0 299.459 1.143 10 0 CDAERP FC(F)(F)CCC[NH2+]C[C@@H]1CN2CCC[C@@H]2CO1 ZINC000133774555 1175807857 /nfs/dbraw/zinc/80/78/57/1175807857.db2.gz JFQNVUPGIFTYTK-GHMZBOCLSA-N 2 0 266.307 1.782 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CCC(CC[NH2+]CC3CC3)CC2)C1 ZINC001698702504 1175897362 /nfs/dbraw/zinc/89/73/62/1175897362.db2.gz MMQXQBAVSJIWDM-INIZCTEOSA-N 2 0 293.455 1.566 10 0 CDAERP CC(C)OCC[NH2+][C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001698711858 1175901372 /nfs/dbraw/zinc/90/13/72/1175901372.db2.gz RACYBUIJFSAQGW-SHTZXODSSA-N 2 0 299.459 1.380 10 0 CDAERP CCCCC[NH2+]C[C@@H](C)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001698858911 1175966468 /nfs/dbraw/zinc/96/64/68/1175966468.db2.gz WPFGUNSLJLNJIT-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H](C[NH2+]CC1=CCCCC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001698859261 1175967476 /nfs/dbraw/zinc/96/74/76/1175967476.db2.gz INUYQDHMTMBHHY-GOEBONIOSA-N 2 0 293.455 1.875 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CC[NH+](C)C ZINC001699030031 1176048916 /nfs/dbraw/zinc/04/89/16/1176048916.db2.gz WXOBHWSCKRKIEG-LSDHHAIUSA-N 2 0 281.444 1.779 10 0 CDAERP CCN(CC[NH2+]Cc1oc(C)nc1C)C(=O)CC[NH+](C)C ZINC001699200796 1176137253 /nfs/dbraw/zinc/13/72/53/1176137253.db2.gz ODTPNQILRQNNNA-UHFFFAOYSA-N 2 0 296.415 1.181 10 0 CDAERP CC[C@H](F)C[NH2+]C/C=C\CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001699257846 1176183427 /nfs/dbraw/zinc/18/34/27/1176183427.db2.gz FCBCFXITZZYWOA-CGXNLCPXSA-N 2 0 297.418 1.338 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC1CC1 ZINC001699261478 1176185563 /nfs/dbraw/zinc/18/55/63/1176185563.db2.gz FGKANHKLOAHXHA-NHZBNJEXSA-N 2 0 279.428 1.533 10 0 CDAERP CCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001699403414 1176368715 /nfs/dbraw/zinc/36/87/15/1176368715.db2.gz XAFPKMVQHFRIOY-STQMWFEESA-N 2 0 255.406 1.364 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001699751694 1176607997 /nfs/dbraw/zinc/60/79/97/1176607997.db2.gz GRFYRKOCYIMNOK-LSDHHAIUSA-N 2 0 281.444 1.851 10 0 CDAERP CC1CC[NH+](CC(=O)N2CC[C@](C)(C[NH2+]CCF)C2)CC1 ZINC001699851743 1176655779 /nfs/dbraw/zinc/65/57/79/1176655779.db2.gz MHEHEVSKODHJKG-MRXNPFEDSA-N 2 0 299.434 1.516 10 0 CDAERP CCCCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001700276529 1176829280 /nfs/dbraw/zinc/82/92/80/1176829280.db2.gz HIDSOHQENKSYAB-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001700639480 1177049516 /nfs/dbraw/zinc/04/95/16/1177049516.db2.gz HPVBVQCVDZMJGR-UMVBOHGHSA-N 2 0 299.434 1.561 10 0 CDAERP CC[C@@H](F)C[N@H+](C)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001707419254 1178033208 /nfs/dbraw/zinc/03/32/08/1178033208.db2.gz YOPQKJIZVBBANZ-CYBMUJFWSA-N 2 0 285.407 1.268 10 0 CDAERP CC(C)CCC[NH2+][C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001713311086 1178488987 /nfs/dbraw/zinc/48/89/87/1178488987.db2.gz INHIUWWKLGWPOH-GDBMZVCRSA-N 2 0 295.471 1.859 10 0 CDAERP CN(CC[NH2+]Cc1ccc(F)cc1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001713578436 1178663124 /nfs/dbraw/zinc/66/31/24/1178663124.db2.gz PSHDBMKOJNEANZ-HNNXBMFYSA-N 2 0 293.386 1.468 10 0 CDAERP CC[C@H](C)C[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001713593549 1178673428 /nfs/dbraw/zinc/67/34/28/1178673428.db2.gz OZPPDCUNAHPHNF-SOUVJXGZSA-N 2 0 283.460 1.811 10 0 CDAERP CC/C=C/CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001713777006 1178748097 /nfs/dbraw/zinc/74/80/97/1178748097.db2.gz JDUQUKLZNVJNEZ-SWJNODNISA-N 2 0 293.455 1.875 10 0 CDAERP CC[C@H](F)C[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001713776093 1178748431 /nfs/dbraw/zinc/74/84/31/1178748431.db2.gz YZZXKYNITIOLGZ-KBPBESRZSA-N 2 0 299.434 1.657 10 0 CDAERP CCC[NH2+]C[C@@](C)(NC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001714168337 1178999561 /nfs/dbraw/zinc/99/95/61/1178999561.db2.gz BSMCNKTXLNBALM-OAHLLOKOSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001714242079 1179041806 /nfs/dbraw/zinc/04/18/06/1179041806.db2.gz UZWFIAVUUNJWEW-ZDUSSCGKSA-N 2 0 269.433 1.611 10 0 CDAERP CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001714254121 1179049378 /nfs/dbraw/zinc/04/93/78/1179049378.db2.gz XJZQXXXHBPAOEP-AWEZNQCLSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]CCF)C2)CC1 ZINC001714373314 1179110619 /nfs/dbraw/zinc/11/06/19/1179110619.db2.gz WFXGIOQTWRSAHU-CQSZACIVSA-N 2 0 299.434 1.514 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CCF ZINC001714395043 1179121590 /nfs/dbraw/zinc/12/15/90/1179121590.db2.gz ABXXONPSGBIFQR-STQMWFEESA-N 2 0 273.396 1.172 10 0 CDAERP CC[NH2+]CC1(NC(=O)CCCC[NH+](C)C)CCCC1 ZINC001715105570 1179553930 /nfs/dbraw/zinc/55/39/30/1179553930.db2.gz YTLJCKCXIMYTNY-UHFFFAOYSA-N 2 0 269.433 1.757 10 0 CDAERP Cc1cc(C[NH2+]CC[C@H](C)NC(=O)C[NH+]2CCCC2)no1 ZINC001715709457 1179770827 /nfs/dbraw/zinc/77/08/27/1179770827.db2.gz WDEZFLBKXQBPKL-LBPRGKRZSA-N 2 0 294.399 1.063 10 0 CDAERP CCN(CC[NH2+]CCOC)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001716248757 1180118533 /nfs/dbraw/zinc/11/85/33/1180118533.db2.gz KCYZTUPIPXFPQE-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP CCN(CC[NH2+]CCOC)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001716248755 1180119016 /nfs/dbraw/zinc/11/90/16/1180119016.db2.gz KCYZTUPIPXFPQE-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCOC ZINC001716778985 1180411422 /nfs/dbraw/zinc/41/14/22/1180411422.db2.gz LPFCDKVLCOFXSV-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)C[NH2+]CC[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001717088444 1180528440 /nfs/dbraw/zinc/52/84/40/1180528440.db2.gz VRDVAAPRPFNDIL-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP CCCCC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001717284670 1180603151 /nfs/dbraw/zinc/60/31/51/1180603151.db2.gz TUTPBKSIRRTRBN-LSDHHAIUSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001717384244 1180641475 /nfs/dbraw/zinc/64/14/75/1180641475.db2.gz DATOHJYOKKDOAJ-YMAMQOFZSA-N 2 0 281.444 1.755 10 0 CDAERP CCCC[NH2+][C@@H](C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001717434234 1180669943 /nfs/dbraw/zinc/66/99/43/1180669943.db2.gz CZWWCJTWHBTZNZ-STQMWFEESA-N 2 0 267.417 1.365 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)[NH+](C)C ZINC000164346482 1180672744 /nfs/dbraw/zinc/67/27/44/1180672744.db2.gz WZZWZTSQMOEAOT-HUUCEWRRSA-N 2 0 281.444 1.707 10 0 CDAERP C[N@H+](CC(=O)N[C@H](C[NH2+]CCF)C(C)(C)C)C1CCC1 ZINC001717959840 1180947973 /nfs/dbraw/zinc/94/79/73/1180947973.db2.gz IRMAKILVWCSECC-CYBMUJFWSA-N 2 0 287.423 1.561 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH2+]C/C=C\Cl)C1CC1 ZINC001723354567 1181543307 /nfs/dbraw/zinc/54/33/07/1181543307.db2.gz GYFIIYXWKMFASE-IRBQFCFKSA-N 2 0 287.835 1.564 10 0 CDAERP C[NH+](C)CCCCC(=O)N[C@]1(C)CC[N@H+](CC2CC2)C1 ZINC001724183300 1181650559 /nfs/dbraw/zinc/65/05/59/1181650559.db2.gz HVAROWIKNRBCFX-MRXNPFEDSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001724942986 1181802996 /nfs/dbraw/zinc/80/29/96/1181802996.db2.gz FLNUIPNUYZCLKE-UONOGXRCSA-N 2 0 269.433 1.563 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001725363576 1181974683 /nfs/dbraw/zinc/97/46/83/1181974683.db2.gz GIXHBCCFDDDSJT-IHRRRGAJSA-N 2 0 299.434 1.561 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CCCF)CN1C(=O)CCCC[NH+](C)C ZINC001725595918 1182067385 /nfs/dbraw/zinc/06/73/85/1182067385.db2.gz QMOFEAIVCLLQGF-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)(C)[C@@H](C[NH2+]CCCF)NC(=O)C[NH+]1CCCC1 ZINC001725758644 1182124021 /nfs/dbraw/zinc/12/40/21/1182124021.db2.gz VNMPQGNJPSHZNF-CYBMUJFWSA-N 2 0 287.423 1.562 10 0 CDAERP Cc1ccncc1C[N@@H+](C)CCCNC(=O)CC[NH+](C)C ZINC001731261665 1182281675 /nfs/dbraw/zinc/28/16/75/1182281675.db2.gz BTKGKVDOJTVFGZ-UHFFFAOYSA-N 2 0 292.427 1.280 10 0 CDAERP C[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)CC1CC1 ZINC001731262651 1182282156 /nfs/dbraw/zinc/28/21/56/1182282156.db2.gz PNFVDQODRQTZAP-UHFFFAOYSA-N 2 0 267.417 1.176 10 0 CDAERP CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001731557556 1182448219 /nfs/dbraw/zinc/44/82/19/1182448219.db2.gz GNUXYJJEQJEJOR-KGLIPLIRSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001731618889 1182482957 /nfs/dbraw/zinc/48/29/57/1182482957.db2.gz UBZUSMDCFHFBAW-KBPBESRZSA-N 2 0 267.417 1.389 10 0 CDAERP CCC[NH2+][C@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001731739891 1182541854 /nfs/dbraw/zinc/54/18/54/1182541854.db2.gz JSAWOSCUYJEKJM-ZIAGYGMSSA-N 2 0 269.433 1.755 10 0 CDAERP CCCCC[NH+]1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001732133244 1182793013 /nfs/dbraw/zinc/79/30/13/1182793013.db2.gz HSDDUBNWNHZPEZ-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP CCCCC[NH+]1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001732138820 1182795728 /nfs/dbraw/zinc/79/57/28/1182795728.db2.gz KOBHZAHDAPNCPF-UHFFFAOYSA-N 2 0 267.417 1.320 10 0 CDAERP CCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001732343229 1182917381 /nfs/dbraw/zinc/91/73/81/1182917381.db2.gz HZKQAHROUFWRIE-HZSPNIEDSA-N 2 0 269.433 1.469 10 0 CDAERP C[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1[NH2+]CCCF ZINC001732491260 1182988471 /nfs/dbraw/zinc/98/84/71/1182988471.db2.gz ZBOPMFUDNAHEOO-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCCOC)[C@H](C)C1 ZINC001732495051 1182989831 /nfs/dbraw/zinc/98/98/31/1182989831.db2.gz LCFRPEVSSQUXNH-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP CN(CCC[NH2+]CC1CCC1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001733109185 1183294155 /nfs/dbraw/zinc/29/41/55/1183294155.db2.gz XCQPIEFOBBRENH-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CN(CCC[NH2+]CC1CCC1)C(=O)C1(C[NH+](C)C)CC1 ZINC001733122300 1183298044 /nfs/dbraw/zinc/29/80/44/1183298044.db2.gz QIBUDCMUEWCJHG-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP CCCCC[N@@H+]1CC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001733228592 1183353076 /nfs/dbraw/zinc/35/30/76/1183353076.db2.gz FLYTURPZOUERCH-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@H](C)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001733270239 1183376925 /nfs/dbraw/zinc/37/69/25/1183376925.db2.gz YASGVESLMQPMJL-STQMWFEESA-N 2 0 267.417 1.223 10 0 CDAERP COCCCC[NH2+][C@@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001733990867 1183603583 /nfs/dbraw/zinc/60/35/83/1183603583.db2.gz POGIANDZLHXFSG-KBPBESRZSA-N 2 0 299.459 1.238 10 0 CDAERP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@@]2(O)CCCOC2)cc1 ZINC000859212728 728753012 /nfs/dbraw/zinc/75/30/12/728753012.db2.gz NMNJSNHGFDZPCO-KRWDZBQOSA-N 2 0 292.423 1.722 10 0 CDAERP Cn1ccc(-c2nc(C[N@@H+]3CC[C@H](CC[NH3+])C3)cs2)n1 ZINC000923479169 728754511 /nfs/dbraw/zinc/75/45/11/728754511.db2.gz NPFHWTWUWJBNSZ-NSHDSACASA-N 2 0 291.424 1.714 10 0 CDAERP C[N@@H+]1C[C@@]2(C)CN(C[C@](C)(O)C(F)F)C[C@@]2(C)C1 ZINC000931315916 728793257 /nfs/dbraw/zinc/79/32/57/728793257.db2.gz DLWMNLCYVSXLLI-XQQFMLRXSA-N 2 0 262.344 1.276 10 0 CDAERP C[N@H+](CCc1ccccc1F)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000852745413 728804325 /nfs/dbraw/zinc/80/43/25/728804325.db2.gz USNXGBQPIMXPTF-CQSZACIVSA-N 2 0 278.371 1.821 10 0 CDAERP [NH3+]CCCCCC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000846228241 728811979 /nfs/dbraw/zinc/81/19/79/728811979.db2.gz KZHTVGWVLGTATC-ARFHVFGLSA-N 3 0 283.460 1.866 10 0 CDAERP C[N@@H+]1CC[C@]2(C1)CCCN(C[C@H](O)c1ccc(F)cn1)C2 ZINC000852105926 728823677 /nfs/dbraw/zinc/82/36/77/728823677.db2.gz QTTNOJGZOZDWKJ-HOTGVXAUSA-N 2 0 293.386 1.672 10 0 CDAERP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]CC1(O)CCCCC1 ZINC000843072229 728825833 /nfs/dbraw/zinc/82/58/33/728825833.db2.gz FSSIKKXVIGCCJM-HNNXBMFYSA-N 2 0 284.444 1.508 10 0 CDAERP CCn1nc(C)c([C@H](C)[NH2+]CC2CC[NH+](CC)CC2)n1 ZINC000924954712 728838885 /nfs/dbraw/zinc/83/88/85/728838885.db2.gz IJMHFPJLTXNTIC-LBPRGKRZSA-N 2 0 279.432 1.989 10 0 CDAERP C(C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)O[C@@H]1CCOC1 ZINC000923365779 728842630 /nfs/dbraw/zinc/84/26/30/728842630.db2.gz YWJPPWLDOXOPBR-KFWWJZLASA-N 2 0 268.401 1.256 10 0 CDAERP CC1(C)[C@H]([NH2+]CCCOC(F)F)[C@@H]2CCC[NH2+][C@@H]21 ZINC000703550252 728852154 /nfs/dbraw/zinc/85/21/54/728852154.db2.gz YRTBGMXIIDSNLJ-OUAUKWLOSA-N 2 0 262.344 1.982 10 0 CDAERP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H]2CC[NH+](C)[C@@H]2C)C[C@@H]1C ZINC000925332420 728864012 /nfs/dbraw/zinc/86/40/12/728864012.db2.gz CEGWBULITNCGSV-IGQOVBAYSA-N 2 0 282.432 1.203 10 0 CDAERP CC(C)OCC[C@H](O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000923329744 728871188 /nfs/dbraw/zinc/87/11/88/728871188.db2.gz YEGDSOIAWPUNAL-OWCLPIDISA-N 2 0 284.444 1.626 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000828942783 728876756 /nfs/dbraw/zinc/87/67/56/728876756.db2.gz AXRSPXZHVJCDDP-SCRDCRAPSA-N 2 0 271.380 1.067 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)C1 ZINC000870914961 728881107 /nfs/dbraw/zinc/88/11/07/728881107.db2.gz YELQNSHFKLCQRT-RUCLQGLUSA-N 2 0 291.439 1.352 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000852896844 728886092 /nfs/dbraw/zinc/88/60/92/728886092.db2.gz CLBXEXGXVREFRO-GJZGRUSLSA-N 2 0 277.412 1.429 10 0 CDAERP CC(C)OC[C@@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000220947707 728901337 /nfs/dbraw/zinc/90/13/37/728901337.db2.gz UWBNPMDJIKDEGY-SOUVJXGZSA-N 2 0 270.417 1.188 10 0 CDAERP C[C@@H]1CC[N@H+](C[C@@H](O)CC2CCCC2)C[C@@H]1C[NH3+] ZINC000232148876 728911215 /nfs/dbraw/zinc/91/12/15/728911215.db2.gz SPQTUNCLTDWPDK-SNPRPXQTSA-N 2 0 254.418 1.844 10 0 CDAERP C(COC1CCOCC1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000925878607 728920635 /nfs/dbraw/zinc/92/06/35/728920635.db2.gz XKLASGDQZCWWJQ-HZSPNIEDSA-N 2 0 268.401 1.160 10 0 CDAERP CCN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923491918 729099058 /nfs/dbraw/zinc/09/90/58/729099058.db2.gz VEOYLKJEGJOXQI-GHMZBOCLSA-N 2 0 295.349 1.314 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000715579888 729099831 /nfs/dbraw/zinc/09/98/31/729099831.db2.gz RRSNQSGCKUNFLQ-JHJVBQTASA-N 2 0 251.374 1.023 10 0 CDAERP CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001321662367 959893747 /nfs/dbraw/zinc/89/37/47/959893747.db2.gz HHPOBDRUIDNYFC-CHWSQXEVSA-N 2 0 255.406 1.364 10 0 CDAERP C(C[C@H]1CCCO1)[NH2+][C@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000925776074 728383654 /nfs/dbraw/zinc/38/36/54/728383654.db2.gz VLYOYPTYAUPEJD-KBXIAJHMSA-N 2 0 268.401 1.302 10 0 CDAERP C[C@H](O)C[C@H](C)C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925511682 728388141 /nfs/dbraw/zinc/38/81/41/728388141.db2.gz RMDNQQUKXUAYSU-HPCHECBXSA-N 2 0 254.418 1.760 10 0 CDAERP O=C1CCCN1CCC[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000924568640 728388677 /nfs/dbraw/zinc/38/86/77/728388677.db2.gz BIDZXQPYQIZMCR-GJZGRUSLSA-N 2 0 279.428 1.605 10 0 CDAERP FC(F)(F)[C@@H]1CC[C@@H](C[NH2+][C@@H]2CCC[NH2+]CC2)O1 ZINC000722392652 728394110 /nfs/dbraw/zinc/39/41/10/728394110.db2.gz WHIRVCXKQKIGHK-VWYCJHECSA-N 2 0 266.307 1.828 10 0 CDAERP C[C@@H](C[NH2+][C@@H]1[C@@H](C)COC[C@H]1C)C[NH+]1CCCC1 ZINC000924718453 728408581 /nfs/dbraw/zinc/40/85/81/728408581.db2.gz YKSBGHDGMCBCGF-BYNSBNAKSA-N 2 0 254.418 1.979 10 0 CDAERP CC(C)[C@H]1CC[C@H]1[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000854232928 728429934 /nfs/dbraw/zinc/42/99/34/728429934.db2.gz UMKIPLGSZNZVJG-GHMZBOCLSA-N 2 0 250.346 1.165 10 0 CDAERP CC(C)[NH2+]CC(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000870988898 728441390 /nfs/dbraw/zinc/44/13/90/728441390.db2.gz BYAJXQLWHYWMGB-AWEZNQCLSA-N 2 0 255.406 1.208 10 0 CDAERP [NH3+][C@H](CCN[C@@H]1C[C@H]([NH3+])C12CCC2)Cc1ccccc1 ZINC000925726387 728456153 /nfs/dbraw/zinc/45/61/53/728456153.db2.gz SISOXWMLWUBKLV-OWCLPIDISA-N 2 0 273.424 1.806 10 0 CDAERP CC[NH+]1CCC(N[C@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925517729 728457294 /nfs/dbraw/zinc/45/72/94/728457294.db2.gz YNOCERGPMWKLLB-JSGCOSHPSA-N 2 0 253.434 1.966 10 0 CDAERP C[N@H+](CCCCCC[NH3+])CC(=O)NCC(C)(C)C ZINC000872156209 728473619 /nfs/dbraw/zinc/47/36/19/728473619.db2.gz GGIHSTDPPMTNBC-UHFFFAOYSA-N 2 0 257.422 1.600 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]CCCN2CCCCC2=O)C12CCC2 ZINC000925547988 728481827 /nfs/dbraw/zinc/48/18/27/728481827.db2.gz FHZFVQWEIIIQIC-CHWSQXEVSA-N 2 0 265.401 1.249 10 0 CDAERP c1cc(C[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)n(-c2cc[nH+]cc2)n1 ZINC000922718396 728485532 /nfs/dbraw/zinc/48/55/32/728485532.db2.gz VHUUHRLGUFOZSG-VBQJREDUSA-N 2 0 296.374 1.948 10 0 CDAERP C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923502355 728499456 /nfs/dbraw/zinc/49/94/56/728499456.db2.gz BIAGYAQUAGEHTP-KBUPBQIOSA-N 2 0 281.444 1.598 10 0 CDAERP CC[N@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)C2CC2)c1 ZINC000818969753 728505710 /nfs/dbraw/zinc/50/57/10/728505710.db2.gz HTAOLNMACDTKFA-MRXNPFEDSA-N 2 0 262.397 1.999 10 0 CDAERP C[C@H](CNC(=O)[C@]1(C)CCCC[NH2+]1)[NH+]1CCCCC1 ZINC000133297576 728510912 /nfs/dbraw/zinc/51/09/12/728510912.db2.gz XQDWADCYJYAESP-HIFRSBDPSA-N 2 0 267.417 1.509 10 0 CDAERP CC[NH2+]CC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000844185166 728522104 /nfs/dbraw/zinc/52/21/04/728522104.db2.gz HWBOVXHXCXTWRI-UHFFFAOYSA-N 2 0 267.348 1.113 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@H](O)c1ccco1 ZINC000784495564 728533391 /nfs/dbraw/zinc/53/33/91/728533391.db2.gz OZBWXFCFMDULEC-HNNXBMFYSA-N 2 0 298.346 1.992 10 0 CDAERP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000713045497 728534840 /nfs/dbraw/zinc/53/48/40/728534840.db2.gz UVLQQMIYRZEHPQ-NWDGAFQWSA-N 2 0 255.406 1.206 10 0 CDAERP CCO[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)C[NH+](C)C ZINC000925832830 728539519 /nfs/dbraw/zinc/53/95/19/728539519.db2.gz FOWKSMYYVFTVIH-LTIDMASMSA-N 2 0 297.487 1.854 10 0 CDAERP Cc1cc([C@@H]([NH3+])CC(=O)N[C@H](C)CC[NH3+])cc(Cl)n1 ZINC000834453197 728560866 /nfs/dbraw/zinc/56/08/66/728560866.db2.gz OTVGAZNNXKOXES-KCJUWKMLSA-N 2 0 284.791 1.287 10 0 CDAERP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000866708708 728563302 /nfs/dbraw/zinc/56/33/02/728563302.db2.gz NYFSKWHYJBIUAT-QLFBSQMISA-N 2 0 287.363 1.054 10 0 CDAERP C[C@H]1C[N@H+](CC(=O)Nc2ccc(O)cc2)CC[C@H]1C[NH3+] ZINC000923501089 728569879 /nfs/dbraw/zinc/56/98/79/728569879.db2.gz RQYAUJIGPKMESE-RYUDHWBXSA-N 2 0 277.368 1.247 10 0 CDAERP Cn1cc(CCC[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)cn1 ZINC000925576442 728579466 /nfs/dbraw/zinc/57/94/66/728579466.db2.gz IKHVDVIGYVVPRU-KBPBESRZSA-N 2 0 264.417 1.848 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000817917230 728966306 /nfs/dbraw/zinc/96/63/06/728966306.db2.gz OOIZRFLIDQBWLV-RNJOBUHISA-N 2 0 290.498 1.710 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC[N@@H+]1C ZINC000810439882 728973671 /nfs/dbraw/zinc/97/36/71/728973671.db2.gz ZIQHWSGFRIIWNS-WWGRRREGSA-N 2 0 299.434 1.798 10 0 CDAERP C[C@H]1C[C@@H]1NC(=[NH2+])NCCCCC[NH+]1CCCC1 ZINC000864465742 728994234 /nfs/dbraw/zinc/99/42/34/728994234.db2.gz BPXKMSYCVFLHGR-STQMWFEESA-N 2 0 252.406 1.775 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)[C@@H]2C[C@]23CCC[NH2+]C3)C1 ZINC000870989119 728997365 /nfs/dbraw/zinc/99/73/65/728997365.db2.gz FMCMRPOGNBRHJL-JQFCIGGWSA-N 2 0 293.455 1.600 10 0 CDAERP C[NH+]1CCC(ONC(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000816534886 729007148 /nfs/dbraw/zinc/00/71/48/729007148.db2.gz XZXGJPKSOUPOTP-ZDUSSCGKSA-N 2 0 283.416 1.393 10 0 CDAERP CC(=O)[C@@](C)(O)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859211888 729028747 /nfs/dbraw/zinc/02/87/47/729028747.db2.gz CABRCLZMGYHLSA-INIZCTEOSA-N 2 0 278.396 1.520 10 0 CDAERP C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CCCCCCC[NH3+] ZINC000842471575 729036398 /nfs/dbraw/zinc/03/63/98/729036398.db2.gz JZWVVPSCLANEBB-STQMWFEESA-N 2 0 255.406 1.481 10 0 CDAERP C[C@@H]1C[C@H]1NC(=[NH2+])NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000864464867 729055332 /nfs/dbraw/zinc/05/53/32/729055332.db2.gz JXVOAZCFVOENDD-UTUOFQBUSA-N 2 0 252.406 1.629 10 0 CDAERP Cc1cccc(NC(=[NH2+])NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000849000436 729076040 /nfs/dbraw/zinc/07/60/40/729076040.db2.gz TUDFJGNXVGOGMS-LSDHHAIUSA-N 2 0 288.395 1.794 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)c1ccsc1 ZINC000870863455 729086286 /nfs/dbraw/zinc/08/62/86/729086286.db2.gz HPDMOCGEVSTQTC-COMQUAJESA-N 2 0 293.436 1.594 10 0 CDAERP C[C@H]1CCC[N@@H+]1CCNC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000807272336 729089971 /nfs/dbraw/zinc/08/99/71/729089971.db2.gz ZLGXQOIOOWIGSM-GJZGRUSLSA-N 2 0 281.444 1.851 10 0 CDAERP CC[NH+]1CCN(CC(C)(C)[NH2+]CCc2ccns2)CC1 ZINC000930662519 729092176 /nfs/dbraw/zinc/09/21/76/729092176.db2.gz AVXLRTIHCFJBCH-UHFFFAOYSA-N 2 0 296.484 1.691 10 0 CDAERP CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000854232931 729154031 /nfs/dbraw/zinc/15/40/31/729154031.db2.gz UMKIPLGSZNZVJG-QWRGUYRKSA-N 2 0 250.346 1.165 10 0 CDAERP C[C@@H](O)[C@H](O)C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000865739031 729159946 /nfs/dbraw/zinc/15/99/46/729159946.db2.gz MPZRSMNGJOVCBK-GDBMZVCRSA-N 2 0 294.439 1.476 10 0 CDAERP C[C@H]1[C@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)CC[N@@H+]1C ZINC000922177800 729193397 /nfs/dbraw/zinc/19/33/97/729193397.db2.gz JYXWYQKOOSNWFT-UONOGXRCSA-N 2 0 296.459 1.500 10 0 CDAERP CC[C@@](C)([NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1)c1nccs1 ZINC000923327223 729197563 /nfs/dbraw/zinc/19/75/63/729197563.db2.gz QUHGHDLKSCDXTI-WCQYABFASA-N 2 0 281.425 1.736 10 0 CDAERP C[C@H](N)[C@H](Cc1ccccc1)[NH2+]C1CC(CC(N)=O)C1 ZINC000925820597 729218755 /nfs/dbraw/zinc/21/87/55/729218755.db2.gz DOVVXWSHITVOKL-LLGZUXRYSA-N 2 0 275.396 1.189 10 0 CDAERP CC[C@@H]1CCC[C@H]([NH2+]CCN2CCC([NH3+])CC2)C1 ZINC000925808954 729268376 /nfs/dbraw/zinc/26/83/76/729268376.db2.gz FLDLJSXBYWRKFJ-HIFRSBDPSA-N 2 0 253.434 1.968 10 0 CDAERP COC(=O)/C=C(\C)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000929275250 729280938 /nfs/dbraw/zinc/28/09/38/729280938.db2.gz ISUXSBQGETXBHD-SDNWHVSQSA-N 2 0 280.412 1.914 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CC[NH2+]C(C)(C)C ZINC000092629763 729298632 /nfs/dbraw/zinc/29/86/32/729298632.db2.gz OCPAEYZTEZTUAF-CYBMUJFWSA-N 2 0 269.433 1.707 10 0 CDAERP COCCN1CC[C@H]([NH2+]C2CCC(C)([NH+](C)C)CC2)C1 ZINC000715578112 729317778 /nfs/dbraw/zinc/31/77/78/729317778.db2.gz DCAMAGHKQMSOQQ-PCKAHOCUSA-N 2 0 283.460 1.560 10 0 CDAERP CC1(CC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)OCCO1 ZINC000925640382 729325058 /nfs/dbraw/zinc/32/50/58/729325058.db2.gz RUIPXDBNLXCMJD-CABCVRRESA-N 2 0 282.428 1.897 10 0 CDAERP C[C@]12CN(CC[NH3+])C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702082127 729335930 /nfs/dbraw/zinc/33/59/30/729335930.db2.gz QTVNSYJCABCODU-JKSUJKDBSA-N 2 0 259.397 1.399 10 0 CDAERP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=[NH2+])N2CCO[C@@H](C)C2)C1 ZINC000848988161 729361984 /nfs/dbraw/zinc/36/19/84/729361984.db2.gz JQHKBPOFTSIUFQ-KFWWJZLASA-N 2 0 296.459 1.599 10 0 CDAERP CCOC(=O)C1=CC[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000863544335 729367195 /nfs/dbraw/zinc/36/71/95/729367195.db2.gz QUSOLLATXJREAQ-AVGNSLFASA-N 2 0 252.358 1.498 10 0 CDAERP CCOc1cc(F)cc(CNC[C@]2(O)CC[N@H+](C)C2)c1 ZINC000865528115 729378406 /nfs/dbraw/zinc/37/84/06/729378406.db2.gz FBOQQJLOZKDGNL-OAHLLOKOSA-N 2 0 282.359 1.381 10 0 CDAERP [NH3+]C1CCC([NH2+]CCc2nnc3ccccn32)CC1 ZINC000094074909 729388246 /nfs/dbraw/zinc/38/82/46/729388246.db2.gz AZBVLZSMBKPKFM-UHFFFAOYSA-N 2 0 259.357 1.131 10 0 CDAERP C(C[NH2+]C1CC1)CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000062973435 729393096 /nfs/dbraw/zinc/39/30/96/729393096.db2.gz RBPAAEUPIYVLDR-OAHLLOKOSA-N 2 0 251.418 1.689 10 0 CDAERP C[C@@H]1OC[C@H]([NH2+]Cc2ccnc(OCC[NH+](C)C)c2)[C@@H]1C ZINC000925653528 729395533 /nfs/dbraw/zinc/39/55/33/729395533.db2.gz MSCUEGALACARRV-IPYPFGDCSA-N 2 0 293.411 1.535 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000852898922 729403583 /nfs/dbraw/zinc/40/35/83/729403583.db2.gz AXVQNRCKOFJRHB-MRXNPFEDSA-N 2 0 291.439 1.534 10 0 CDAERP CC(C)[C@H](C[NH2+][C@@H]1COCC1(C)C)N1CC[NH+](C)CC1 ZINC000313074691 729404434 /nfs/dbraw/zinc/40/44/34/729404434.db2.gz IFZMLMSRQZXCMN-LSDHHAIUSA-N 2 0 283.460 1.273 10 0 CDAERP COCC[N@H+](C)CCC[NH2+][C@H](C1CCC1)[C@H]1CCCO1 ZINC000866231147 729454885 /nfs/dbraw/zinc/45/48/85/729454885.db2.gz QANVIRMHBAUFBB-HZPDHXFCSA-N 2 0 284.444 1.892 10 0 CDAERP CC1(C)[C@H]([NH2+]CCCO[C@H]2CCOC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925553529 729459496 /nfs/dbraw/zinc/45/94/96/729459496.db2.gz TXHIEIOORPTHQT-LJISPDSOSA-N 2 0 282.428 1.548 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+]C2[C@H](C)COC[C@H]2C)CC1 ZINC000924667418 729479262 /nfs/dbraw/zinc/47/92/62/729479262.db2.gz JVEBZMBIEFXQSK-RBSFLKMASA-N 2 0 283.460 1.273 10 0 CDAERP O[C@@H](C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)C1(O)CCC1 ZINC000929688072 729493020 /nfs/dbraw/zinc/49/30/20/729493020.db2.gz OXNRNQPADJDIBB-GJZGRUSLSA-N 2 0 282.428 1.213 10 0 CDAERP C[NH+](C)C1(C)CCC(NC(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000868363144 729494750 /nfs/dbraw/zinc/49/47/50/729494750.db2.gz JVPBRONPKRBIEA-NPCAHTBFSA-N 2 0 296.459 1.643 10 0 CDAERP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000930309178 729513047 /nfs/dbraw/zinc/51/30/47/729513047.db2.gz HAUGGMSBCPHBIF-LSDHHAIUSA-N 2 0 294.439 1.993 10 0 CDAERP C[NH2+]C[C@](C)(O)C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923507930 729517042 /nfs/dbraw/zinc/51/70/42/729517042.db2.gz RGXZUNVQGZZRQW-ZBFHGGJFSA-N 3 0 283.460 1.059 10 0 CDAERP CC(C)(CN[C@@H]1C[C@@H]([NH3+])c2ccccc21)CS(C)(=O)=O ZINC000723879297 729550428 /nfs/dbraw/zinc/55/04/28/729550428.db2.gz SOQXZKUCDIKMNU-ZIAGYGMSSA-N 2 0 296.436 1.792 10 0 CDAERP CC(C)[NH+](CCCNC(=[NH2+])N1CCO[C@H](C)C1)C(C)C ZINC000849010973 729586388 /nfs/dbraw/zinc/58/63/88/729586388.db2.gz VZWNAHFITAIUDQ-CQSZACIVSA-N 2 0 284.448 1.740 10 0 CDAERP COc1coc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cc1=O ZINC000923501070 729630965 /nfs/dbraw/zinc/63/09/65/729630965.db2.gz YWIJWTDLGHZWNI-MNOVXSKESA-N 2 0 266.341 1.065 10 0 CDAERP [NH3+][C@@H](C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000825547322 729649100 /nfs/dbraw/zinc/64/91/00/729649100.db2.gz KAWGLGARPGSDBC-BZUAXINKSA-N 2 0 287.407 1.677 10 0 CDAERP CCN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923491922 729673115 /nfs/dbraw/zinc/67/31/15/729673115.db2.gz VEOYLKJEGJOXQI-QWRGUYRKSA-N 2 0 295.349 1.314 10 0 CDAERP CC1(C)C[C@@H](N[C@@H]2CC[N@H+](CC3CC3)C2)C[C@@H]([NH3+])C1 ZINC000925557383 729714572 /nfs/dbraw/zinc/71/45/72/729714572.db2.gz PASCBCRBKGWFBX-KFWWJZLASA-N 2 0 265.445 1.966 10 0 CDAERP C[NH+](C)C1(C)CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000825374966 729721907 /nfs/dbraw/zinc/72/19/07/729721907.db2.gz ULFBEBQZTZNMNA-BBBYJDLNSA-N 2 0 281.444 1.850 10 0 CDAERP C/C=C(\C)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870020489 729736996 /nfs/dbraw/zinc/73/69/96/729736996.db2.gz RARFHPLYDYFJBD-XCEACWERSA-N 2 0 267.417 1.150 10 0 CDAERP C[N@@H+]1CCN(C(=O)C[C@@H]2CSCC[NH2+]2)CCC1(C)C ZINC000712683899 729744886 /nfs/dbraw/zinc/74/48/86/729744886.db2.gz HNSXLEZPHHRDQD-GFCCVEGCSA-N 2 0 285.457 1.024 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CC1([C@@H](O)c2ccccc2)CC1 ZINC000817916195 729792475 /nfs/dbraw/zinc/79/24/75/729792475.db2.gz BMBBZYPWFLJOSE-CVEARBPZSA-N 2 0 292.423 1.844 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)C1 ZINC000870951634 729795611 /nfs/dbraw/zinc/79/56/11/729795611.db2.gz VJOZAQWVTGJVJW-LJIGWXMPSA-N 2 0 291.439 1.352 10 0 CDAERP CCN(CC)C(=O)CCC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925597840 729808699 /nfs/dbraw/zinc/80/86/99/729808699.db2.gz OJDGVCSCRYPYNY-OLZOCXBDSA-N 2 0 267.417 1.495 10 0 CDAERP CC(C)=CCC[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863548612 729809264 /nfs/dbraw/zinc/80/92/64/729809264.db2.gz UEENIHKZVBBOSC-CABCVRRESA-N 2 0 293.411 1.600 10 0 CDAERP Cn1c(=O)ccc2c1CCC[C@H]2N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925701858 729826231 /nfs/dbraw/zinc/82/62/31/729826231.db2.gz HGFJDNBXKNRXBT-KRLPYLPESA-N 2 0 299.418 1.349 10 0 CDAERP C[C@@H]1C[N@H+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)CC[C@H]1C[NH3+] ZINC000720895192 729828605 /nfs/dbraw/zinc/82/86/05/729828605.db2.gz XNDRNGLTNAPHKO-CAEXGNQWSA-N 2 0 252.402 1.861 10 0 CDAERP CCCC(=O)NC[C@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923310322 729841565 /nfs/dbraw/zinc/84/15/65/729841565.db2.gz FJWXQBOZBDMIOK-CQSZACIVSA-N 2 0 281.444 1.757 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)[C@H](C)[NH2+]C1CC1 ZINC000846689375 729844491 /nfs/dbraw/zinc/84/44/91/729844491.db2.gz WNHSTNRKMYFTPC-LBPRGKRZSA-N 2 0 255.406 1.221 10 0 CDAERP CO[C@H]1C[C@@H](C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)C1 ZINC000872143151 729847568 /nfs/dbraw/zinc/84/75/68/729847568.db2.gz MUDXKTWFFCSHQT-KBXIAJHMSA-N 2 0 252.402 1.875 10 0 CDAERP O[C@H](CN1CC[NH2+]CCC12CCC2)CC(F)(F)F ZINC000713259170 729855697 /nfs/dbraw/zinc/85/56/97/729855697.db2.gz YCXRWGVJWJMJJL-JTQLQIEISA-N 2 0 266.307 1.518 10 0 CDAERP [NH3+]CC1(CC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925701816 729858062 /nfs/dbraw/zinc/85/80/62/729858062.db2.gz GCVLIOMLAXTKJY-HUUCEWRRSA-N 3 0 265.445 1.873 10 0 CDAERP CCCCOC[C@H](O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000227883084 729879325 /nfs/dbraw/zinc/87/93/25/729879325.db2.gz GIIIPOWFPNDCJS-GXTWGEPZSA-N 2 0 258.406 1.223 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1CSC1(C)C ZINC000848992840 729881531 /nfs/dbraw/zinc/88/15/31/729881531.db2.gz YBCGKRJXMDGTEF-GHMZBOCLSA-N 2 0 270.446 1.479 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000261558547 729882996 /nfs/dbraw/zinc/88/29/96/729882996.db2.gz YKKBPDYFZMRTOM-KBPBESRZSA-N 2 0 261.413 1.976 10 0 CDAERP Cc1cc(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000390712666 729901154 /nfs/dbraw/zinc/90/11/54/729901154.db2.gz AVTJHLLYTMOBAO-OAHLLOKOSA-N 2 0 297.406 1.553 10 0 CDAERP Cc1noc(C)c1CN1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720859878 729903087 /nfs/dbraw/zinc/90/30/87/729903087.db2.gz RZEISKKGOOBXQE-GXSJLCMTSA-N 2 0 277.290 1.860 10 0 CDAERP COc1c(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c(C)nn1C ZINC000723923751 729908702 /nfs/dbraw/zinc/90/87/02/729908702.db2.gz XSHIJEBTZRPOIA-ZYHUDNBSSA-N 2 0 266.389 1.154 10 0 CDAERP CN(C(=O)[C@H](C[NH3+])c1ccc(F)cc1)C1CCC([NH3+])CC1 ZINC000844160638 729919640 /nfs/dbraw/zinc/91/96/40/729919640.db2.gz MMCZFIDFCRMRKY-YMAMQOFZSA-N 2 0 293.386 1.596 10 0 CDAERP CC(C)[C@@H]1COCC[C@H]1[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000924954094 729925361 /nfs/dbraw/zinc/92/53/61/729925361.db2.gz UVPVXRFESWMHSP-IXDOHACOSA-N 2 0 297.487 1.521 10 0 CDAERP C[N@H+](CCOCc1ccccc1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923317997 729928675 /nfs/dbraw/zinc/92/86/75/729928675.db2.gz HVDWYPVZOKSALX-MRXNPFEDSA-N 2 0 290.407 1.514 10 0 CDAERP CC(C)C(=O)NCCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925625034 729950968 /nfs/dbraw/zinc/95/09/68/729950968.db2.gz FYSWRJCDBQOCKH-NWDGAFQWSA-N 2 0 253.390 1.008 10 0 CDAERP NC(=O)CC[C@@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923309225 729956758 /nfs/dbraw/zinc/95/67/58/729956758.db2.gz NTTAEDDYYWKKQC-LBPRGKRZSA-N 2 0 253.390 1.106 10 0 CDAERP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)C(C)(C)CO ZINC000925652941 729979907 /nfs/dbraw/zinc/97/99/07/729979907.db2.gz JABFVKVUMDTYDL-ZDUSSCGKSA-N 2 0 295.427 1.519 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872257102 730009286 /nfs/dbraw/zinc/00/92/86/730009286.db2.gz LFDCMUXQHAHIMM-MCIONIFRSA-N 2 0 281.400 1.290 10 0 CDAERP C[C@H](CN[C@@H]1CC[NH2+]C12CCC2)[NH+]1CCC(C)CC1 ZINC000925512130 730020206 /nfs/dbraw/zinc/02/02/06/730020206.db2.gz ZVBRXQBRBMPONO-HUUCEWRRSA-N 2 0 265.445 1.981 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870895617 730033842 /nfs/dbraw/zinc/03/38/42/730033842.db2.gz LPQNQHUCBHTQMM-UHFFFAOYSA-N 2 0 267.417 1.367 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925703054 730053375 /nfs/dbraw/zinc/05/33/75/730053375.db2.gz SIPJTRCUEQDETM-HZSPNIEDSA-N 2 0 251.418 1.591 10 0 CDAERP Clc1ccc(OCCCN2CC[NH2+]CC[NH2+]CC2)cc1 ZINC000923464219 730077532 /nfs/dbraw/zinc/07/75/32/730077532.db2.gz KYOJCMSPVJCILS-UHFFFAOYSA-N 2 0 297.830 1.604 10 0 CDAERP Cc1nccn1CCC[N@@H+](C)CN1C[C@@H]2CCC[C@H]2C1=O ZINC000840032182 730313066 /nfs/dbraw/zinc/31/30/66/730313066.db2.gz NTKLFZATQZRKMY-LSDHHAIUSA-N 2 0 290.411 1.729 10 0 CDAERP CC(C)[C@H](C(=O)N1CC[N@H+](C)C(C)(C)CC1)[C@H](C)[NH3+] ZINC000712623910 730318467 /nfs/dbraw/zinc/31/84/67/730318467.db2.gz ZZAOCBIEMSSENI-STQMWFEESA-N 2 0 269.433 1.549 10 0 CDAERP C[C@@H]([NH2+][C@@H]1CNOC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000925863485 730337583 /nfs/dbraw/zinc/33/75/83/730337583.db2.gz BYBVCKZZVRODOE-TZMCWYRMSA-N 2 0 279.384 1.181 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CC[NH+](C)C[C@@H]3C2)CC[N@@H+]1C ZINC000868450142 730350754 /nfs/dbraw/zinc/35/07/54/730350754.db2.gz BKOFPTICFPRTQK-LJISPDSOSA-N 2 0 279.428 1.127 10 0 CDAERP C[NH+]1C[C@]2(C)CN(C(=O)[C@H]3CC[N@@H+]3C(C)(C)C)C[C@@]2(C)C1 ZINC000864077756 730370282 /nfs/dbraw/zinc/37/02/82/730370282.db2.gz QLDAYCQWSJWRKI-KBRIMQKVSA-N 2 0 293.455 1.659 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@](C)(O)c1ccccc1 ZINC000817914058 730391678 /nfs/dbraw/zinc/39/16/78/730391678.db2.gz TUQGDCHMZYLEHO-LSDHHAIUSA-N 2 0 266.385 1.238 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000870988788 1165249579 /nfs/dbraw/zinc/24/95/79/1165249579.db2.gz ZLWYHTDOLDCILX-IOASZLSFSA-N 2 0 281.444 1.727 10 0 CDAERP C[C@@H]([NH2+]CCO)[C@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001566536068 1167973786 /nfs/dbraw/zinc/97/37/86/1167973786.db2.gz ZMSSFFTVINKXRD-HUUCEWRRSA-N 2 0 299.459 1.070 10 0 CDAERP C[NH+](C)CCC(=O)NCC[N@H+](C)CCC(C)(C)C ZINC001567301745 1168052369 /nfs/dbraw/zinc/05/23/69/1168052369.db2.gz GPCACVBBNUBHOH-UHFFFAOYSA-N 2 0 257.422 1.422 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001566576501 1168341743 /nfs/dbraw/zinc/34/17/43/1168341743.db2.gz QEGYSUJYXVJBMF-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH+](CCCF)C2CC2)C1 ZINC001566602999 1168353383 /nfs/dbraw/zinc/35/33/83/1168353383.db2.gz WBCGKQGXBYGMRU-CYBMUJFWSA-N 2 0 285.407 1.268 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001566813603 1168431475 /nfs/dbraw/zinc/43/14/75/1168431475.db2.gz IHDYEIJCDGELQQ-HDJSIYSDSA-N 2 0 269.433 1.754 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@@H](CC[NH2+]CCCF)C1 ZINC001272556789 913436229 /nfs/dbraw/zinc/43/62/29/913436229.db2.gz WMFPBCMVGBMLJK-CYBMUJFWSA-N 2 0 273.396 1.126 10 0 CDAERP CC(C)[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001283145848 895994274 /nfs/dbraw/zinc/99/42/74/895994274.db2.gz ITIWPNPGPRSNKU-OLZOCXBDSA-N 2 0 255.406 1.364 10 0 CDAERP C[NH+](C)CC1(O)CC[NH+](CC2CC(C)(C)C2)CC1 ZINC000723570506 896011702 /nfs/dbraw/zinc/01/17/02/896011702.db2.gz GZDDJSYGAVMIPA-UHFFFAOYSA-N 2 0 254.418 1.811 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001266786385 896049827 /nfs/dbraw/zinc/04/98/27/896049827.db2.gz HCFYDNSIBCLLNK-ZBFHGGJFSA-N 2 0 293.455 1.566 10 0 CDAERP CC(C)=CC[NH2+]CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001567525191 1168830094 /nfs/dbraw/zinc/83/00/94/1168830094.db2.gz YYRNQDDBERVANM-UHFFFAOYSA-N 2 0 279.428 1.629 10 0 CDAERP CCC[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001266994772 896514256 /nfs/dbraw/zinc/51/42/56/896514256.db2.gz PBWWGTZBIDYPRW-UONOGXRCSA-N 2 0 269.433 1.611 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[C@H](C)[NH2+]CC)C1 ZINC001267142454 896906489 /nfs/dbraw/zinc/90/64/89/896906489.db2.gz TVJNVAYZVGFNBT-UONOGXRCSA-N 2 0 269.433 1.613 10 0 CDAERP CC/C=C\CC[NH2+][C@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001267152841 896935421 /nfs/dbraw/zinc/93/54/21/896935421.db2.gz VRYMGFGHDIFJHI-FOSCPCJNSA-N 2 0 293.455 1.923 10 0 CDAERP C[C@H](CN[C@@H]1C[C@@H]([NH3+])C12CCC2)C[NH+]1CCCC1 ZINC000405352032 897597499 /nfs/dbraw/zinc/59/74/99/897597499.db2.gz ORVPLPFPBYUKJZ-MGPQQGTHSA-N 2 0 251.418 1.578 10 0 CDAERP CCC[NH2+]CC[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001272617626 914185009 /nfs/dbraw/zinc/18/50/09/914185009.db2.gz YHBHIGSRPOAYNM-GJZGRUSLSA-N 2 0 281.444 1.566 10 0 CDAERP Cc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001567605420 1168884737 /nfs/dbraw/zinc/88/47/37/1168884737.db2.gz ZLYLUZFLZDPWDU-MRXNPFEDSA-N 2 0 289.423 1.495 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@H]1CCC[N@@H+]1CC1CC1 ZINC001481071185 898729572 /nfs/dbraw/zinc/72/95/72/898729572.db2.gz SPCHBVVCQZDIRN-CQSZACIVSA-N 2 0 265.401 1.073 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CC[NH+](CCCF)C2)C1 ZINC001481117965 898908662 /nfs/dbraw/zinc/90/86/62/898908662.db2.gz FKJKHIBHWDJTSN-UONOGXRCSA-N 2 0 285.407 1.126 10 0 CDAERP CCC[NH+](CCC)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001481136965 898964573 /nfs/dbraw/zinc/96/45/73/898964573.db2.gz XEMQQUDSRKEBJX-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP CC[C@H](C)C[N@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)C1CC1 ZINC001481186320 899081926 /nfs/dbraw/zinc/08/19/26/899081926.db2.gz OTIWOLLNCUZSCC-LSDHHAIUSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[NH+]1CCC(CCNC(=O)CC[NH+](C)C)CC1 ZINC001267946702 900021199 /nfs/dbraw/zinc/02/11/99/900021199.db2.gz YICMMZHQYYOIKG-UHFFFAOYSA-N 2 0 269.433 1.565 10 0 CDAERP CN(CC[NH2+]CC1CCC1)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001481290324 900142611 /nfs/dbraw/zinc/14/26/11/900142611.db2.gz HQWVUYPDRGMUPH-HOTGVXAUSA-N 2 0 293.455 1.851 10 0 CDAERP CN(CC[NH2+]CC1CCC1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001481290323 900142907 /nfs/dbraw/zinc/14/29/07/900142907.db2.gz HQWVUYPDRGMUPH-CVEARBPZSA-N 2 0 293.455 1.851 10 0 CDAERP CC(C)C[NH+]1CC(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001481565415 901223551 /nfs/dbraw/zinc/22/35/51/901223551.db2.gz QMGQAWYUKXYREK-CQSZACIVSA-N 2 0 267.417 1.317 10 0 CDAERP CC(C)C[C@@H](C[NH2+]CCC1CC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268116124 901330973 /nfs/dbraw/zinc/33/09/73/901330973.db2.gz GOQFZVAYUGFJIG-CVEARBPZSA-N 2 0 295.471 1.859 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]CCF ZINC001268196980 901553212 /nfs/dbraw/zinc/55/32/12/901553212.db2.gz VSVJDWOKKMHFRV-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP CCC[N@H+](C)CC(=O)NCC1C[NH+](CC2CCCC2)C1 ZINC001481656113 901727422 /nfs/dbraw/zinc/72/74/22/901727422.db2.gz MOOHISKUWRYITB-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP C[C@@H](CC[NH2+]CC1=CCCCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001268422546 902038322 /nfs/dbraw/zinc/03/83/22/902038322.db2.gz FBGICSGSVLUMSS-HOCLYGCPSA-N 2 0 293.455 1.923 10 0 CDAERP CCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001482119363 902660306 /nfs/dbraw/zinc/66/03/06/902660306.db2.gz XDJJXLJGWDJMQI-LSDHHAIUSA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)[NH2+]C/C=C\CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001268594404 902718175 /nfs/dbraw/zinc/71/81/75/902718175.db2.gz CLACWGUBMJUQIO-XHPSBEMXSA-N 2 0 281.444 1.921 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@@H]2CCCC[C@H]2C[NH2+]CCF)CCC1 ZINC001268763084 903100483 /nfs/dbraw/zinc/10/04/83/903100483.db2.gz CYRYEFZQERKJAB-UONOGXRCSA-N 2 0 299.434 1.705 10 0 CDAERP CCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C ZINC001268929843 903250020 /nfs/dbraw/zinc/25/00/20/903250020.db2.gz NSDZAQJZUVDLMY-KKUMJFAQSA-N 2 0 279.428 1.556 10 0 CDAERP CC[NH+](CC)C[C@@H]1CCN(C(=O)CC[N@@H+]2CC[C@@H](F)C2)C1 ZINC001362157239 903272844 /nfs/dbraw/zinc/27/28/44/903272844.db2.gz XPFNJOBHCKCGNH-LSDHHAIUSA-N 2 0 299.434 1.611 10 0 CDAERP CCCC[N@@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001269344607 903719434 /nfs/dbraw/zinc/71/94/34/903719434.db2.gz DTZQOGLQCNFVHG-AWEZNQCLSA-N 2 0 269.433 1.661 10 0 CDAERP CC(C)[N@H+](C)CCCNC(=O)C1([NH+](C)C)CCCC1 ZINC001141542234 904461113 /nfs/dbraw/zinc/46/11/13/904461113.db2.gz AAQIKRUURDBPOK-UHFFFAOYSA-N 2 0 269.433 1.707 10 0 CDAERP C[C@@H](C[NH2+]C/C=C/Cl)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001482291759 904668912 /nfs/dbraw/zinc/66/89/12/904668912.db2.gz INUBYPATMMCPRK-ZCRIDZFUSA-N 2 0 287.835 1.660 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001270569022 904744206 /nfs/dbraw/zinc/74/42/06/904744206.db2.gz RHGSFXISNLGNCL-GJZGRUSLSA-N 2 0 283.460 1.716 10 0 CDAERP CC[N@@H+]1CCC[C@H](CN[C@@H]2CC[NH2+]C23CCCC3)C1 ZINC001354228566 905636451 /nfs/dbraw/zinc/63/64/51/905636451.db2.gz KOEUGHLCCJMMET-HUUCEWRRSA-N 2 0 265.445 1.983 10 0 CDAERP CC(C)[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CC1CC1 ZINC001271892937 906942721 /nfs/dbraw/zinc/94/27/21/906942721.db2.gz MQKUEMFPNODDKE-ZDUSSCGKSA-N 2 0 255.406 1.079 10 0 CDAERP CCC[NH2+][C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001482565139 907146548 /nfs/dbraw/zinc/14/65/48/907146548.db2.gz JBMHJMIEUQXUPL-KBPBESRZSA-N 2 0 269.433 1.469 10 0 CDAERP CC(C)=CC[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001482586070 907426532 /nfs/dbraw/zinc/42/65/32/907426532.db2.gz GEMITRAMMWRILB-CQSZACIVSA-N 2 0 267.417 1.437 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C/C=C/Cl)C1 ZINC001482665180 908156461 /nfs/dbraw/zinc/15/64/61/908156461.db2.gz ZAWMVBPJFKQQCW-VTBFOEKRSA-N 2 0 299.846 1.613 10 0 CDAERP CC(C)=CC[NH2+]C/C=C/CNC(=O)C[NH+]1CCCC1 ZINC001483092728 909320491 /nfs/dbraw/zinc/32/04/91/909320491.db2.gz IXNQVODCZRPJCI-ONEGZZNKSA-N 2 0 265.401 1.310 10 0 CDAERP C[C@@H](CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)C[NH+]1CCCCC1 ZINC000713222122 909608358 /nfs/dbraw/zinc/60/83/58/909608358.db2.gz PQROFOCQRAMUDF-FQLMCAECSA-N 2 0 279.428 1.352 10 0 CDAERP C[N@H+](CCNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)Cc1ccccc1 ZINC000713417341 909614285 /nfs/dbraw/zinc/61/42/85/909614285.db2.gz HAVHGWDWMRBSLN-VYDXJSESSA-N 2 0 287.407 1.362 10 0 CDAERP Cc1ncc(C[NH2+]C[C@@H](C)NC(=O)CCC[NH+](C)C)s1 ZINC001483161417 909886202 /nfs/dbraw/zinc/88/62/02/909886202.db2.gz HOOKRRBQVLRZCU-LLVKDONJSA-N 2 0 298.456 1.388 10 0 CDAERP CCC[N@H+](C)C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001483354141 910964376 /nfs/dbraw/zinc/96/43/76/910964376.db2.gz XXUYWUNDJZTYCQ-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H](C[N@H+](C)CC1CC(C)(C)C1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001483417505 911088959 /nfs/dbraw/zinc/08/89/59/911088959.db2.gz LROBPVJERDFPAU-HIFRSBDPSA-N 2 0 295.471 1.811 10 0 CDAERP CC[C@H](C(=O)N(C)CCC[NH2+]CC=C(C)C)[NH+](C)C ZINC001483504095 911206169 /nfs/dbraw/zinc/20/61/69/911206169.db2.gz DUNXFJUGMMZIEE-CQSZACIVSA-N 2 0 269.433 1.731 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[NH+](C)[C@@H]2C)C[N@@H+]1C1CC1 ZINC000921383795 914914508 /nfs/dbraw/zinc/91/45/08/914914508.db2.gz CEDBGYVVBWBPEN-HKUMRIAESA-N 2 0 280.416 1.003 10 0 CDAERP CCOCC[NH2+]C1(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001483794459 915072665 /nfs/dbraw/zinc/07/26/65/915072665.db2.gz UOABWIXABUYQCM-ZIAGYGMSSA-N 2 0 297.443 1.134 10 0 CDAERP CCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cc2cnc[nH]2)C1 ZINC001484349183 915655936 /nfs/dbraw/zinc/65/59/36/915655936.db2.gz UNGVASBSJYXOOX-CHWSQXEVSA-N 2 0 278.400 1.579 10 0 CDAERP CC(C)[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001484542182 915871816 /nfs/dbraw/zinc/87/18/16/915871816.db2.gz DEMUTHCZTZBUJD-UONOGXRCSA-N 2 0 292.427 1.825 10 0 CDAERP CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]CCF)[NH+](C)C ZINC001484616542 915955285 /nfs/dbraw/zinc/95/52/85/915955285.db2.gz AJJQEYOKPQIDTA-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP COCCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001484628517 915976802 /nfs/dbraw/zinc/97/68/02/915976802.db2.gz WERLUSBTJRKPRD-AWEZNQCLSA-N 2 0 297.443 1.136 10 0 CDAERP O=C(NC1CC(C[NH2+]C/C=C\Cl)C1)C12CC[NH+](CC1)C2 ZINC001485106994 916532975 /nfs/dbraw/zinc/53/29/75/916532975.db2.gz ASOQUJOWOVROFA-RJRFIUFISA-N 2 0 297.830 1.319 10 0 CDAERP C[C@@H]([NH2+]CCCF)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001485167678 916603741 /nfs/dbraw/zinc/60/37/41/916603741.db2.gz XNZIHLAOSRMCRN-OLZOCXBDSA-N 2 0 285.407 1.457 10 0 CDAERP CC(C)OCC[NH2+][C@@H](C)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001485158242 916614205 /nfs/dbraw/zinc/61/42/05/916614205.db2.gz YDKLEWJKIWPLGM-KBPBESRZSA-N 2 0 299.459 1.379 10 0 CDAERP CCCCC[NH2+][C@@H](C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001485213262 916677901 /nfs/dbraw/zinc/67/79/01/916677901.db2.gz CWUVWRPOHFZWQP-KBPBESRZSA-N 2 0 281.444 1.755 10 0 CDAERP CCCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001485386352 916938015 /nfs/dbraw/zinc/93/80/15/916938015.db2.gz WOQYRTDLNLAWLJ-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001485624869 917144452 /nfs/dbraw/zinc/14/44/52/917144452.db2.gz YDMWDRRCPODXLE-QKDCVEJESA-N 2 0 281.444 1.422 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001366404732 917393950 /nfs/dbraw/zinc/39/39/50/917393950.db2.gz BRNJXWFWRHQQLL-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001485811548 917488632 /nfs/dbraw/zinc/48/86/32/917488632.db2.gz OIGDMIIKQHIOLD-HZPDHXFCSA-N 2 0 293.455 1.563 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001568291331 1169227662 /nfs/dbraw/zinc/22/76/62/1169227662.db2.gz HYKLQSWZSXEUMA-UONOGXRCSA-N 2 0 269.433 1.563 10 0 CDAERP C[NH+](C)CCC(=O)N[C@]12CCC[C@@H]1[N@H+](CC1CCC1)CC2 ZINC001486145739 920755275 /nfs/dbraw/zinc/75/52/75/920755275.db2.gz FVWNBEYARTVOEN-RDJZCZTQSA-N 2 0 293.455 1.851 10 0 CDAERP C[NH+](C)CCCC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCF)[C@H]2C1 ZINC001486160240 920761464 /nfs/dbraw/zinc/76/14/64/920761464.db2.gz HAFWOXKNZANWKA-SOUVJXGZSA-N 2 0 299.434 1.514 10 0 CDAERP C[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C[NH2+]CCF)C2)CC1 ZINC001486209984 920820457 /nfs/dbraw/zinc/82/04/57/920820457.db2.gz GBDLGWJQMUBJDH-GXTWGEPZSA-N 2 0 285.407 1.172 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](O)C[NH+](C)C(C)C ZINC001486359527 920924526 /nfs/dbraw/zinc/92/45/26/920924526.db2.gz YHOVICOASUZYHW-LSDHHAIUSA-N 2 0 299.459 1.020 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@@H]1CC[C@H]2C[NH+](C)C[C@H]21 ZINC001649361697 1169241992 /nfs/dbraw/zinc/24/19/92/1169241992.db2.gz WEISXMYJOODMLR-XPABHHOTSA-N 2 0 279.428 1.316 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]CC1CCC1 ZINC001568320340 1169242862 /nfs/dbraw/zinc/24/28/62/1169242862.db2.gz FYKKDULKSGINIL-ZDUSSCGKSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)=CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000705746060 923004541 /nfs/dbraw/zinc/00/45/41/923004541.db2.gz MLKZFFMJOCAGEX-ZIAGYGMSSA-N 2 0 267.417 1.150 10 0 CDAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CCc1cccnc1)CC2 ZINC000923451457 923843571 /nfs/dbraw/zinc/84/35/71/923843571.db2.gz NXXVQAJHLACKBD-OAHLLOKOSA-N 2 0 275.396 1.454 10 0 CDAERP CSc1ccc(OCCN2CC[NH2+]CC[NH2+]CC2)cc1 ZINC000923460211 923847920 /nfs/dbraw/zinc/84/79/20/923847920.db2.gz DKMCOLMOWWKDMJ-UHFFFAOYSA-N 2 0 295.452 1.282 10 0 CDAERP [NH3+]CCCCCCC[NH2+]C1(c2ncccn2)CCOCC1 ZINC000923552570 923925266 /nfs/dbraw/zinc/92/52/66/923925266.db2.gz DHIPKHKYKDBNNU-UHFFFAOYSA-N 2 0 292.427 1.981 10 0 CDAERP CCCC[NH2+][C@@H](C)CNC(=O)CCc1nccn1C ZINC001491535089 936931343 /nfs/dbraw/zinc/93/13/43/936931343.db2.gz VDFAYEVOEOATOM-LBPRGKRZSA-N 2 0 266.389 1.247 10 0 CDAERP C=C/C=C/CC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC001143146132 937125282 /nfs/dbraw/zinc/12/52/82/937125282.db2.gz YOJDWMPXVRMYBM-WAVCKPEOSA-N 2 0 293.455 1.993 10 0 CDAERP CC(C)=CC[N@@H+]1CCC[C@H](NC(=O)CCc2c[nH]cn2)C1 ZINC001490440780 927161030 /nfs/dbraw/zinc/16/10/30/927161030.db2.gz XVSSOINDZKWEDG-HNNXBMFYSA-N 2 0 290.411 1.889 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000852859038 927897110 /nfs/dbraw/zinc/89/71/10/927897110.db2.gz MUZOANMCESXRBQ-KBPBESRZSA-N 2 0 263.385 1.039 10 0 CDAERP C[C@H](C[C@@H]1COCCN1)[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000854229006 928173245 /nfs/dbraw/zinc/17/32/45/928173245.db2.gz FTDVSHRKKUDNFQ-LPWJVIDDSA-N 2 0 290.354 1.157 10 0 CDAERP CC(C)[C@H]1CC[C@@H]1[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000854232929 928173375 /nfs/dbraw/zinc/17/33/75/928173375.db2.gz UMKIPLGSZNZVJG-MNOVXSKESA-N 2 0 250.346 1.165 10 0 CDAERP CN(CC1C[NH+](C)C1)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000855641893 928451798 /nfs/dbraw/zinc/45/17/98/928451798.db2.gz RFGVCOKYHZAXMS-HNNXBMFYSA-N 2 0 285.407 1.219 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NC2CC[NH+](C)CC2)C1 ZINC001135652641 930327796 /nfs/dbraw/zinc/32/77/96/930327796.db2.gz JQUGYNMCMFMFJF-OCCSQVGLSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@@H]([NH2+]CCC[NH3+])[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000817938449 930635144 /nfs/dbraw/zinc/63/51/44/930635144.db2.gz KRLQETSJMYDXSQ-ZBFHGGJFSA-N 2 0 277.412 1.214 10 0 CDAERP CCC[NH2+]C[C@]1(C)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001324788600 931165277 /nfs/dbraw/zinc/16/52/77/931165277.db2.gz JWEKQHFCZHZSNA-HOCLYGCPSA-N 2 0 281.444 1.566 10 0 CDAERP CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001274124879 931184979 /nfs/dbraw/zinc/18/49/79/931184979.db2.gz KJEHNVCTLHPBID-GFUIURDCSA-N 2 0 253.390 1.143 10 0 CDAERP CC[C@@H](C[NH2+]C/C=C\CNC(=O)C1CC[NH+](C)CC1)OC ZINC001274330919 931491088 /nfs/dbraw/zinc/49/10/88/931491088.db2.gz HTEYZWALKFFMCI-YVACAVLKSA-N 2 0 297.443 1.015 10 0 CDAERP C[C@H](C[NH2+]C/C=C\Cl)NC(=O)CC1CC[NH+](C)CC1 ZINC001274943991 931614608 /nfs/dbraw/zinc/61/46/08/931614608.db2.gz LRKUSZYXRCUIJD-GCLPIYDQSA-N 2 0 287.835 1.565 10 0 CDAERP CC(C)C[NH2+][C@H](C)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001275468352 931813186 /nfs/dbraw/zinc/81/31/86/931813186.db2.gz ALQJOSCLTDSRRS-OLZOCXBDSA-N 2 0 257.422 1.467 10 0 CDAERP CN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C1CC[NH+](C)CC1 ZINC001411609261 931914340 /nfs/dbraw/zinc/91/43/40/931914340.db2.gz IBRXIEWUHFONNG-ZFWWWQNUSA-N 2 0 281.444 1.659 10 0 CDAERP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CC[NH+]1CC[C@H](F)C1 ZINC001411836647 932059656 /nfs/dbraw/zinc/05/96/56/932059656.db2.gz VCRINXCRNQMDFA-HZSPNIEDSA-N 2 0 285.407 1.219 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CSCCS1 ZINC000234725715 932584285 /nfs/dbraw/zinc/58/42/85/932584285.db2.gz JDQXZMQSUBFQKV-GHMZBOCLSA-N 2 0 264.460 1.179 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000924995481 932841633 /nfs/dbraw/zinc/84/16/33/932841633.db2.gz YZQLQOFYCZAKFN-QKPAOTATSA-N 2 0 263.429 1.567 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](O)Cc2ccccc2)C12CCC2 ZINC000925498395 932894160 /nfs/dbraw/zinc/89/41/60/932894160.db2.gz DWGOUTGRRYOSIB-KFWWJZLASA-N 2 0 260.381 1.450 10 0 CDAERP CC[C@@H](O)CCC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925581753 932909424 /nfs/dbraw/zinc/90/94/24/932909424.db2.gz UQRYEQQIOIJNBJ-RFGFWPKPSA-N 2 0 254.418 1.904 10 0 CDAERP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000925687128 932927441 /nfs/dbraw/zinc/92/74/41/932927441.db2.gz YZQRABCYDCTAPJ-KBPBESRZSA-N 3 0 251.418 1.593 10 0 CDAERP C(C[C@H]1CCCO1)[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000925776073 932937633 /nfs/dbraw/zinc/93/76/33/932937633.db2.gz VLYOYPTYAUPEJD-CBBWQLFWSA-N 2 0 268.401 1.302 10 0 CDAERP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1nccc2c1CCCC2 ZINC000925807140 932940613 /nfs/dbraw/zinc/94/06/13/932940613.db2.gz SYIJGENKIGMFMR-MAZHCROVSA-N 2 0 289.423 1.802 10 0 CDAERP CC[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1cnn(C)c1 ZINC000925841208 932944669 /nfs/dbraw/zinc/94/46/69/932944669.db2.gz HZRXCHONKNKNEA-RRFJBIMHSA-N 2 0 262.401 1.993 10 0 CDAERP Cc1nnc(CC[NH+]2CCC(CCC[NH+](C)C)CC2)o1 ZINC000930144105 933322888 /nfs/dbraw/zinc/32/28/88/933322888.db2.gz CFCSMZSLADMRDU-UHFFFAOYSA-N 2 0 280.416 1.974 10 0 CDAERP CCCC[N@@H+](CC(N)=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000719260292 934847043 /nfs/dbraw/zinc/84/70/43/934847043.db2.gz GYUHWUZEPYCXDZ-YHWZYXNKSA-N 2 0 253.390 1.104 10 0 CDAERP CCCC[N@H+](C)CC1CC[NH+](C[C@@H](O)C(C)(C)O)CC1 ZINC001412945497 935110929 /nfs/dbraw/zinc/11/09/29/935110929.db2.gz RILZHUJTNZOIJU-OAHLLOKOSA-N 2 0 286.460 1.562 10 0 CDAERP C[C@@H](CN1CCOCC1)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC001412990796 935148601 /nfs/dbraw/zinc/14/86/01/935148601.db2.gz GAYPUTVNWCUEHI-IRXDYDNUSA-N 2 0 295.471 1.372 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CC[NH2+]CC2CC2)CC[N@@H+]1C ZINC001568634537 1169409305 /nfs/dbraw/zinc/40/93/05/1169409305.db2.gz ZRAFVJRSPSCKIQ-VHDGCEQUSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC[S@@](C)=O ZINC000400581289 940852893 /nfs/dbraw/zinc/85/28/93/940852893.db2.gz ZMFXQOXYXUROCZ-AKCHCHLHSA-N 2 0 294.464 1.865 10 0 CDAERP C([NH2+]C[C@@H]1CN2CCC[C@@H]2CO1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403406387 940921280 /nfs/dbraw/zinc/92/12/80/940921280.db2.gz VFEBOKDQHRMRAO-IBEHDNSVSA-N 2 0 264.413 1.875 10 0 CDAERP [NH3+][C@H]1C[C@H]([NH2+][C@@H](CO)Cc2ccccc2)C12CCC2 ZINC000405290705 940978608 /nfs/dbraw/zinc/97/86/08/940978608.db2.gz ZUUFTLNEHCCVDM-ILXRZTDVSA-N 2 0 260.381 1.450 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC001362064497 970837996 /nfs/dbraw/zinc/83/79/96/970837996.db2.gz QMZCAOWBKNAQEV-ZBFHGGJFSA-N 2 0 295.471 1.765 10 0 CDAERP CCCCC[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001277079411 941922542 /nfs/dbraw/zinc/92/25/42/941922542.db2.gz DLTWMGDLSUSKTG-UHFFFAOYSA-N 2 0 281.444 1.899 10 0 CDAERP CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](C)CC[NH+](C)C ZINC001362080084 970858168 /nfs/dbraw/zinc/85/81/68/970858168.db2.gz PIDUPJHHSPOIHD-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H]1CN(CC[C@H]2CCC[N@@H+]2C)CCN1c1cnccn1 ZINC001473903494 970891384 /nfs/dbraw/zinc/89/13/84/970891384.db2.gz VPWAGESVCFKLBQ-LSDHHAIUSA-N 2 0 289.427 1.471 10 0 CDAERP CC(C)C[NH2+]CCC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001277335068 942383414 /nfs/dbraw/zinc/38/34/14/942383414.db2.gz HBEUBBAUFFGLKT-CQSZACIVSA-N 2 0 281.444 1.613 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC(C)([NH2+]CCCOC)CC1 ZINC001281527113 942588189 /nfs/dbraw/zinc/58/81/89/942588189.db2.gz ZEULQPRVPNIHMB-UHFFFAOYSA-N 2 0 299.459 1.335 10 0 CDAERP C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1C[NH+](CCCCCF)C1 ZINC001282693213 942740429 /nfs/dbraw/zinc/74/04/29/942740429.db2.gz MMQUBAJKLXFQTC-UKRRQHHQSA-N 2 0 299.434 1.657 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H](C[NH2+]CCC3CC3)C2)C1 ZINC001283081016 942818581 /nfs/dbraw/zinc/81/85/81/942818581.db2.gz ZEMADMMBRYGXAN-BPUTZDHNSA-N 2 0 293.455 1.613 10 0 CDAERP CCC[N@H+]1CC=C(CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001284921146 943288790 /nfs/dbraw/zinc/28/87/90/943288790.db2.gz RUYDGKJVAZBQPV-UHFFFAOYSA-N 2 0 279.428 1.629 10 0 CDAERP CC[N@H+](C)CCCNC(=O)c1ccccc1CC[NH+](C)C ZINC001265017184 944202316 /nfs/dbraw/zinc/20/23/16/944202316.db2.gz XTBQTNAECPPEFN-UHFFFAOYSA-N 2 0 291.439 1.862 10 0 CDAERP CC[NH+](CC)CCCNC(=O)CC[NH+]1CCCCC1 ZINC001265148005 944247439 /nfs/dbraw/zinc/24/74/39/944247439.db2.gz RHUZZHRKNKRFDO-UHFFFAOYSA-N 2 0 269.433 1.711 10 0 CDAERP C[NH+]1CCC(CC(=O)NC[C@@H]([NH2+]CCCF)C2CC2)CC1 ZINC001265374779 944364032 /nfs/dbraw/zinc/36/40/32/944364032.db2.gz UHYOFGYMSOEHAJ-OAHLLOKOSA-N 2 0 299.434 1.562 10 0 CDAERP COCC[NH2+]C1CCC(NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001265736262 944484825 /nfs/dbraw/zinc/48/48/25/944484825.db2.gz NDWREVJYWOHHQR-UHFFFAOYSA-N 2 0 297.443 1.134 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001277987635 944522268 /nfs/dbraw/zinc/52/22/68/944522268.db2.gz IPLSUFNHXACKGD-GJZGRUSLSA-N 2 0 281.444 1.731 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001265823385 944526551 /nfs/dbraw/zinc/52/65/51/944526551.db2.gz HBJSAUUZNWYKSS-KGLIPLIRSA-N 2 0 269.433 1.469 10 0 CDAERP CC[N@H+](C)CCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001265871871 944550656 /nfs/dbraw/zinc/55/06/56/944550656.db2.gz IDOXZYCQOKZKCE-KGLIPLIRSA-N 2 0 267.417 1.461 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC[NH+](C)CCCF ZINC001265978344 944611753 /nfs/dbraw/zinc/61/17/53/944611753.db2.gz JROVKBDWBGDTKH-OKILXGFUSA-N 2 0 287.423 1.657 10 0 CDAERP CC[NH+]1CCC(C)(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001278093951 944755683 /nfs/dbraw/zinc/75/56/83/944755683.db2.gz DBMAWEXGJOJGIS-UHFFFAOYSA-N 2 0 255.406 1.317 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N2CC[NH+](C)CC2(C)C)C1 ZINC001362292009 971124060 /nfs/dbraw/zinc/12/40/60/971124060.db2.gz KNNHMNYFZSTMDL-AWEZNQCLSA-N 2 0 281.444 1.659 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC2([NH+](C)C)CCC2)C1 ZINC001362356842 971186584 /nfs/dbraw/zinc/18/65/84/971186584.db2.gz SQIINZLRYIIOLE-ZIAGYGMSSA-N 2 0 281.444 1.707 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001362472911 971312324 /nfs/dbraw/zinc/31/23/24/971312324.db2.gz WYQTVKUDZOIOPT-LMINUHAASA-N 2 0 293.455 1.848 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CC(C)C ZINC001479640648 971356710 /nfs/dbraw/zinc/35/67/10/971356710.db2.gz UAFAGOTWWUKSAU-LSDHHAIUSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CCCF)CN1C(=O)C[N@H+](C)C1CCC1 ZINC001278379989 947356413 /nfs/dbraw/zinc/35/64/13/947356413.db2.gz WGMAQNHIBCKQIL-CHWSQXEVSA-N 2 0 285.407 1.409 10 0 CDAERP CN1C[C@@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1=O ZINC000723583306 947485570 /nfs/dbraw/zinc/48/55/70/947485570.db2.gz RTPMGXMUOCHPER-FUDCBSFHSA-N 2 0 265.401 1.070 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001480232193 971640251 /nfs/dbraw/zinc/64/02/51/971640251.db2.gz KQARSNAXCRQOLO-RFQIPJPRSA-N 2 0 285.407 1.313 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+](C/C=C/Cl)C1 ZINC001480262085 971652197 /nfs/dbraw/zinc/65/21/97/971652197.db2.gz JHABPJJEHNAOFA-LVDDQXARSA-N 2 0 287.835 1.519 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001480301024 971663002 /nfs/dbraw/zinc/66/30/02/971663002.db2.gz SRIMJQGDGCRJDI-HOTGVXAUSA-N 2 0 295.471 1.812 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001480305233 971662923 /nfs/dbraw/zinc/66/29/23/971662923.db2.gz ANFHTCMWYVMUAN-AWEZNQCLSA-N 2 0 269.433 1.563 10 0 CDAERP C[C@@H](C[NH2+]CC=C(Cl)Cl)NC(=O)CC[NH+](C)C ZINC001569078099 1169632879 /nfs/dbraw/zinc/63/28/79/1169632879.db2.gz WSRUGYQFVLEXCC-VIFPVBQESA-N 2 0 282.215 1.351 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001569094438 1169641848 /nfs/dbraw/zinc/64/18/48/1169641848.db2.gz MCGVNEMPJYGWQV-HOCLYGCPSA-N 2 0 281.444 1.613 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]C/C=C\Cl)C1 ZINC001480654448 971826414 /nfs/dbraw/zinc/82/64/14/971826414.db2.gz VVNQHVLDSVJUDT-ALCJFRFOSA-N 2 0 299.846 1.661 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@H](CC[NH+](C)C)C2)C1 ZINC001363566414 953464740 /nfs/dbraw/zinc/46/47/40/953464740.db2.gz YGEFSNASOUXJNO-HZPDHXFCSA-N 2 0 295.471 1.907 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001493111178 971952237 /nfs/dbraw/zinc/95/22/37/971952237.db2.gz OGMCXDWMBQMPEX-HUUCEWRRSA-N 2 0 281.444 1.850 10 0 CDAERP C[N@@H+]1C[C@@H]2CN(C[C@@H]3CCC[C@@]4(CCOC4)O3)C[C@]2(C)C1 ZINC001364499889 954693222 /nfs/dbraw/zinc/69/32/22/954693222.db2.gz DHTGGHDYXLPVEN-QZWWFDLISA-N 2 0 294.439 1.598 10 0 CDAERP CN(C)c1nc2c(s1)C[N@H+](CCc1cncn1C)CC2 ZINC001364789958 955173996 /nfs/dbraw/zinc/17/39/96/955173996.db2.gz FUUQYZDDOFXZGC-UHFFFAOYSA-N 2 0 291.424 1.543 10 0 CDAERP C[N@@H+]1C[C@]23C[NH+](CC[C@H]4CCOC4=O)C[C@@]2(C1)CCCC3 ZINC001363311133 972075000 /nfs/dbraw/zinc/07/50/00/972075000.db2.gz JORATXLMFKUVLX-BHYGNILZSA-N 2 0 292.423 1.747 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001491645957 955343564 /nfs/dbraw/zinc/34/35/64/955343564.db2.gz MPLRFEIYAAEQFR-KGLIPLIRSA-N 2 0 269.433 1.633 10 0 CDAERP CC(C)=CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001491758826 955407932 /nfs/dbraw/zinc/40/79/32/955407932.db2.gz AXGBWUKNYTUZQU-INIZCTEOSA-N 2 0 293.455 1.875 10 0 CDAERP C[N@@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC001364957945 955422830 /nfs/dbraw/zinc/42/28/30/955422830.db2.gz ZBZLPXPDMIBFCT-CABCVRRESA-N 2 0 293.455 1.850 10 0 CDAERP CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001491806343 955473069 /nfs/dbraw/zinc/47/30/69/955473069.db2.gz YXKHZXULLCHEPV-SOUVJXGZSA-N 2 0 281.444 1.565 10 0 CDAERP Cc1ncoc1C[NH2+]C[C@@H](C)N(C)C(=O)CCC[NH+](C)C ZINC001421952834 955670862 /nfs/dbraw/zinc/67/08/62/955670862.db2.gz YNEGWXXPKMOVHM-GFCCVEGCSA-N 2 0 296.415 1.261 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC1CC1 ZINC001329174913 955738140 /nfs/dbraw/zinc/73/81/40/955738140.db2.gz XIKRPDDSKQRGHF-NEPJUHHUSA-N 2 0 255.406 1.221 10 0 CDAERP CC[N@H+](CCOC)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001422213372 955852927 /nfs/dbraw/zinc/85/29/27/955852927.db2.gz XMGLLYLTDSYSMD-UHFFFAOYSA-N 2 0 299.459 1.145 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]C/C(Cl)=C\Cl ZINC001422396436 955981661 /nfs/dbraw/zinc/98/16/61/955981661.db2.gz WJDKUGSRDWQHBR-BASITXKASA-N 2 0 296.242 1.740 10 0 CDAERP CC[N@H+](C)[C@@H]1CCN(C(=O)NC[C@@H]2CCCC[NH+]2C)C1 ZINC001365442394 956039497 /nfs/dbraw/zinc/03/94/97/956039497.db2.gz AUCUNBIXDIEYCT-UONOGXRCSA-N 2 0 282.432 1.206 10 0 CDAERP C[C@H](C[NH2+]Cc1ccccc1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001422470929 956048260 /nfs/dbraw/zinc/04/82/60/956048260.db2.gz NVQCNOQAWGXGDO-HIFRSBDPSA-N 2 0 275.396 1.375 10 0 CDAERP CC(=O)[C@](C)(O)C[N@H+]1C[C@@]23CN(C)C[C@]2(C1)CCCC3 ZINC001422507401 956105584 /nfs/dbraw/zinc/10/55/84/956105584.db2.gz XKFAESKMKXDFAR-OAGGEKHMSA-N 2 0 280.412 1.134 10 0 CDAERP CCC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001494022790 972163633 /nfs/dbraw/zinc/16/36/33/972163633.db2.gz ZDPCWFFMWHSSAM-QLFBSQMISA-N 2 0 281.444 1.565 10 0 CDAERP CCC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001494020784 972164123 /nfs/dbraw/zinc/16/41/23/972164123.db2.gz ODXVQAFTCXKLMT-GOEBONIOSA-N 2 0 293.455 1.566 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1cncs1)[NH+](C)C ZINC001422695869 956264334 /nfs/dbraw/zinc/26/43/34/956264334.db2.gz KVRFTKAHGQPAFO-JQWIXIFHSA-N 2 0 284.429 1.078 10 0 CDAERP CC(C)C[NH+]1CC([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001422732547 956295970 /nfs/dbraw/zinc/29/59/70/956295970.db2.gz CSBMJFBNJFGZGJ-CQSZACIVSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+]C/C=C\Cl)C1 ZINC001365848646 956404982 /nfs/dbraw/zinc/40/49/82/956404982.db2.gz IUYYUBGAWSKSJM-ONTYGWCMSA-N 2 0 287.835 1.564 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H](C[NH2+]CC3CC3)C2)CC1 ZINC001422911413 956443358 /nfs/dbraw/zinc/44/33/58/956443358.db2.gz VRTZDCQVUJLZFI-HDJSIYSDSA-N 2 0 279.428 1.223 10 0 CDAERP CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@@H](C[NH2+]CC1CC1)C1CC1 ZINC001422994186 956497348 /nfs/dbraw/zinc/49/73/48/956497348.db2.gz MVJIWCCTSULYJO-ZBFHGGJFSA-N 2 0 293.455 1.565 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]C/C=C\Cl)C2)CC[N@@H+]1C ZINC001366150966 956604103 /nfs/dbraw/zinc/60/41/03/956604103.db2.gz PODOPEVXXJKEBL-ZKNPFUHISA-N 2 0 299.846 1.706 10 0 CDAERP CC1CC(C[NH2+][C@H]2C[C@@H](NC(=O)CCC[NH+](C)C)C2)C1 ZINC001366156067 956608249 /nfs/dbraw/zinc/60/82/49/956608249.db2.gz PAOKYKLNAZWEDK-ZMYVRHLSSA-N 2 0 281.444 1.611 10 0 CDAERP O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001366170054 956619191 /nfs/dbraw/zinc/61/91/91/956619191.db2.gz PWZGEEJLSQMZTJ-HFBDLHNASA-N 2 0 299.846 1.852 10 0 CDAERP C[N@H+](CCCNC(=O)C[C@@H]1CC[NH+](C)C1)CC1CCCC1 ZINC001316859045 956641498 /nfs/dbraw/zinc/64/14/98/956641498.db2.gz KIPTVUOHTGZFFV-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001366213344 956642073 /nfs/dbraw/zinc/64/20/73/956642073.db2.gz XFLNJRLEOOCSQN-HUUCEWRRSA-N 2 0 299.434 1.801 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CC=C(Cl)Cl ZINC001366318666 956738893 /nfs/dbraw/zinc/73/88/93/956738893.db2.gz AWOMAPHGHCTOST-SECBINFHSA-N 2 0 282.215 1.351 10 0 CDAERP CC(C)CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001366384764 956786981 /nfs/dbraw/zinc/78/69/81/956786981.db2.gz YQUOIYFNGOSKRI-JYJNAYRXSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)CC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001366392867 956794085 /nfs/dbraw/zinc/79/40/85/956794085.db2.gz CLZZCKUMOGFFLI-CABCVRRESA-N 2 0 281.444 1.565 10 0 CDAERP CC[N@H+](C)CCOCCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001331134385 956841352 /nfs/dbraw/zinc/84/13/52/956841352.db2.gz VTRCPBUBEZKSPJ-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCCF ZINC001331455500 957072760 /nfs/dbraw/zinc/07/27/60/957072760.db2.gz NUZRHHRKRDPNTK-YNEHKIRRSA-N 2 0 273.396 1.123 10 0 CDAERP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+]1CCC[C@@H](C)O ZINC001366680559 957109771 /nfs/dbraw/zinc/10/97/71/957109771.db2.gz YXFOHKPFXPENNC-CABCVRRESA-N 2 0 299.459 1.068 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1CC1CCCC1 ZINC001366681569 957112091 /nfs/dbraw/zinc/11/20/91/957112091.db2.gz VGIGOXVZAKVPCY-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP CN(CCC[N@H+](C)CCC1CC1)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001424324176 957203643 /nfs/dbraw/zinc/20/36/43/957203643.db2.gz BYKHDMDSCJQLQX-INIZCTEOSA-N 2 0 295.471 1.909 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](CC[C@H]2CCCO2)C1 ZINC001366893046 957249923 /nfs/dbraw/zinc/24/99/23/957249923.db2.gz KBSTURZNCPMUJT-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CCCC[NH+]1CCC(CO)(NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001424638228 957287386 /nfs/dbraw/zinc/28/73/86/957287386.db2.gz HORRIGOSKYKEHV-CQSZACIVSA-N 2 0 299.459 1.070 10 0 CDAERP CC(C)[NH2+][C@H](C)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001424792771 957360442 /nfs/dbraw/zinc/36/04/42/957360442.db2.gz PGULJBUWUYGHAP-KGLIPLIRSA-N 2 0 281.444 1.754 10 0 CDAERP CCN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@@H+]([C@@H](C)COC)C1 ZINC001367072010 957384179 /nfs/dbraw/zinc/38/41/79/957384179.db2.gz OOGAJWXCBOOSMV-GJZGRUSLSA-N 2 0 297.443 1.040 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)CCC(F)(F)F ZINC001425071137 957463291 /nfs/dbraw/zinc/46/32/91/957463291.db2.gz BKIHMGKPAISORX-NSHDSACASA-N 2 0 297.365 1.716 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]CC1CC1 ZINC001317636387 957614446 /nfs/dbraw/zinc/61/44/46/957614446.db2.gz NJIKMERORBTWER-OAHLLOKOSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)CC[NH2+]C[C@H]1CCCOC1)[NH+](C)C ZINC001317654112 957625802 /nfs/dbraw/zinc/62/58/02/957625802.db2.gz XYPHLKVAZWVLTG-CABCVRRESA-N 2 0 299.459 1.047 10 0 CDAERP Cc1cc(C[NH2+]CCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)cs1 ZINC001317661967 957629385 /nfs/dbraw/zinc/62/93/85/957629385.db2.gz SKFJRKMRIMFUMY-CQSZACIVSA-N 2 0 295.452 1.556 10 0 CDAERP C[NH+](C)CCC(=O)N[C@]12CCC[C@@H]1[N@H+](C/C=C/Cl)CC2 ZINC001425892334 957637394 /nfs/dbraw/zinc/63/73/94/957637394.db2.gz AJMAIEZHJQMEQQ-CKIDSATASA-N 2 0 299.846 1.804 10 0 CDAERP COCC[NH2+]C1CCN(C(=O)[C@@H]([NH3+])C2CCCCC2)CC1 ZINC001332724349 957689183 /nfs/dbraw/zinc/68/91/83/957689183.db2.gz PBMFYQNQYJJSQK-HNNXBMFYSA-N 2 0 297.443 1.121 10 0 CDAERP CC[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CCCOC)C1)[NH+](C)C ZINC001317855408 957697464 /nfs/dbraw/zinc/69/74/64/957697464.db2.gz WAPHGANFPGWTML-GJZGRUSLSA-N 2 0 299.459 1.143 10 0 CDAERP COCC[N@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)C(C)C ZINC001426164204 957815587 /nfs/dbraw/zinc/81/55/87/957815587.db2.gz GTYZHNFIAKONAT-GASCZTMLSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)=CC[NH+]1CC(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001318128862 957936132 /nfs/dbraw/zinc/93/61/32/957936132.db2.gz YZHPLDVIMFFSFY-UHFFFAOYSA-N 2 0 279.428 1.485 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001367373416 957977060 /nfs/dbraw/zinc/97/70/60/957977060.db2.gz CPDVIICROULIIG-UONOGXRCSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)C[NH2+]C/C=C/Cl ZINC001319195084 958426486 /nfs/dbraw/zinc/42/64/86/958426486.db2.gz FIPYHCSRNJJKDL-RPTYSRGTSA-N 2 0 287.835 1.565 10 0 CDAERP CC(C)[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)C(C)C ZINC001367861613 958438873 /nfs/dbraw/zinc/43/88/73/958438873.db2.gz FTQYNWXHABXNMR-CABCVRRESA-N 2 0 283.460 2.000 10 0 CDAERP C[C@H](C[N@H+](C)CC1CCCC1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001367858043 958439075 /nfs/dbraw/zinc/43/90/75/958439075.db2.gz RLCDRBASUQFAME-HIFRSBDPSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+]2CC2CCCC2)C1 ZINC001367953039 958513542 /nfs/dbraw/zinc/51/35/42/958513542.db2.gz CEPSHRVMICIYEP-GOEBONIOSA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C(C)C)CC1 ZINC001368005565 958571389 /nfs/dbraw/zinc/57/13/89/958571389.db2.gz MTXQJFPJUGBCPI-AWEZNQCLSA-N 2 0 281.444 1.754 10 0 CDAERP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1[NH2+]CCCF ZINC001319694108 958688715 /nfs/dbraw/zinc/68/87/15/958688715.db2.gz FTDAKSVNITYYEA-HIFRSBDPSA-N 2 0 299.434 1.514 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[NH+](CC1CC1)C2 ZINC001368326407 958768680 /nfs/dbraw/zinc/76/86/80/958768680.db2.gz MBIFLZHNHTVBRK-JYJNAYRXSA-N 2 0 293.455 1.706 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001368428980 958839397 /nfs/dbraw/zinc/83/93/97/958839397.db2.gz GCCUIYOAGUYVNI-LSDHHAIUSA-N 2 0 281.444 1.517 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]CC2CCC2)CCC1 ZINC001368498838 958904901 /nfs/dbraw/zinc/90/49/01/958904901.db2.gz UQMQPGMUKPEWHL-UHFFFAOYSA-N 2 0 281.444 1.755 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCCC2)C1 ZINC001368497104 958905003 /nfs/dbraw/zinc/90/50/03/958905003.db2.gz UFFFHRDPZNTCLK-GASCZTMLSA-N 2 0 281.444 1.613 10 0 CDAERP CCC[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001368603137 958991232 /nfs/dbraw/zinc/99/12/32/958991232.db2.gz BHOVZIUFVXKZOZ-BIQWYFBQSA-N 2 0 281.444 1.754 10 0 CDAERP CC[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]CCCF ZINC001495080992 972400431 /nfs/dbraw/zinc/40/04/31/972400431.db2.gz UWHZWJHAVFQHNR-CQSZACIVSA-N 2 0 287.423 1.562 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CCC1CCOCC1 ZINC001368977280 959349513 /nfs/dbraw/zinc/34/95/13/959349513.db2.gz ZDOUISIYLZCCMD-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H]2C[NH+](CC)C[C@@H]2C1 ZINC001369164170 959497799 /nfs/dbraw/zinc/49/77/99/959497799.db2.gz UEWCIXWKZHYXFG-SOUVJXGZSA-N 2 0 281.444 1.565 10 0 CDAERP O=C(NC/C=C\C[NH2+]C/C=C\Cl)[C@@H]1C[NH+]2CCC1CC2 ZINC001321063957 959569526 /nfs/dbraw/zinc/56/95/26/959569526.db2.gz JNORKVSDFNUHST-LZTJZBGGSA-N 2 0 297.830 1.343 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH2+]CC2CC2)C1 ZINC001371321797 972470524 /nfs/dbraw/zinc/47/05/24/972470524.db2.gz IXQVYOUDRIVDKI-UKRRQHHQSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+][C@H]1CCc2ccccc21 ZINC001371343229 972477970 /nfs/dbraw/zinc/47/79/70/972477970.db2.gz FKQITBOCOZTRGH-BBRMVZONSA-N 2 0 289.423 1.720 10 0 CDAERP CCOCC[N@H+](C)C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001322197931 960128854 /nfs/dbraw/zinc/12/88/54/960128854.db2.gz XHRNXJZXVXYKSZ-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H](C)O2)C1 ZINC001370564941 960146307 /nfs/dbraw/zinc/14/63/07/960146307.db2.gz OFFKTJSDOULIJC-AJNGGQMLSA-N 2 0 297.443 1.131 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]CCF)C1CC1 ZINC001323081141 960436181 /nfs/dbraw/zinc/43/61/81/960436181.db2.gz NSVSHTFULCWLAI-HUUCEWRRSA-N 2 0 299.434 1.703 10 0 CDAERP CC[N@@H+]1CC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001323247418 960583230 /nfs/dbraw/zinc/58/32/30/960583230.db2.gz UYWDLVBAJRLGMB-OLZOCXBDSA-N 2 0 253.390 1.071 10 0 CDAERP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C1([NH+](C)C)CCCC1 ZINC001433790918 960618539 /nfs/dbraw/zinc/61/85/39/960618539.db2.gz HPWQOPVZKNIBDP-GXTWGEPZSA-N 2 0 279.428 1.460 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1)C(C)C ZINC001418585507 960763060 /nfs/dbraw/zinc/76/30/60/960763060.db2.gz GXIUSBFUYXHJLP-HNNXBMFYSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001418630844 960826456 /nfs/dbraw/zinc/82/64/56/960826456.db2.gz PFSKGHDEQNDAFB-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CC[NH+](CC3CCC3)C2)C1 ZINC001418689762 960913545 /nfs/dbraw/zinc/91/35/45/960913545.db2.gz ZDFSZLLCDASMQD-CVEARBPZSA-N 2 0 293.455 1.566 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001569351244 1169784139 /nfs/dbraw/zinc/78/41/39/1169784139.db2.gz ZQMAHYXLZGJHSD-YJQVQVLHSA-N 2 0 279.428 1.627 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1CCCCC[C@H]([NH2+]CCO)C1 ZINC001418777461 961008847 /nfs/dbraw/zinc/00/88/47/961008847.db2.gz UVRDCVPLIVDNMP-HNNXBMFYSA-N 2 0 299.459 1.071 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001324236316 961255555 /nfs/dbraw/zinc/25/55/55/961255555.db2.gz NZMBPTMRGYHTLW-ZFWWWQNUSA-N 2 0 292.427 1.969 10 0 CDAERP O=C(CCC[NH+]1CCCCC1)N1CCC[C@H]1C[NH2+]CCF ZINC001324274338 961277016 /nfs/dbraw/zinc/27/70/16/961277016.db2.gz VSSVKPAZZCDBII-HNNXBMFYSA-N 2 0 299.434 1.803 10 0 CDAERP C[C@@H]1C[C@H]([NH+]2CCC(O)(C[NH+]3CCCCC3)CC2)CCO1 ZINC001434510085 961583675 /nfs/dbraw/zinc/58/36/75/961583675.db2.gz PWZRPYYJKBAXFG-HZPDHXFCSA-N 2 0 296.455 1.867 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+](CCC2CC2)C1 ZINC001419547308 961804560 /nfs/dbraw/zinc/80/45/60/961804560.db2.gz PJIPSBSATQZFSE-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001419785207 962105301 /nfs/dbraw/zinc/10/53/01/962105301.db2.gz AXENCDFQHHMJMC-LSDHHAIUSA-N 2 0 283.460 1.715 10 0 CDAERP C[N@H+](CCCF)[C@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001420044348 962412608 /nfs/dbraw/zinc/41/26/08/962412608.db2.gz SMOBLZUFBBSOMN-GJZGRUSLSA-N 2 0 299.434 1.611 10 0 CDAERP C[C@@H]1[C@H](C(=O)NC[C@H]([NH2+]CC2CCC2)C2CC2)CC[N@@H+]1C ZINC001436787427 962415867 /nfs/dbraw/zinc/41/58/67/962415867.db2.gz JSGBAQXLQVTDMT-WQVCFCJDSA-N 2 0 293.455 1.611 10 0 CDAERP C[N@H+](CCF)C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001436852762 962461989 /nfs/dbraw/zinc/46/19/89/962461989.db2.gz QGCBJHQKTWSCIW-CQSZACIVSA-N 2 0 285.407 1.222 10 0 CDAERP C[C@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]C/C=C\Cl ZINC001420106659 962476776 /nfs/dbraw/zinc/47/67/76/962476776.db2.gz PKUAITUOQMNSMH-UYMHTNOESA-N 2 0 287.835 1.708 10 0 CDAERP CC[NH2+]C1CCC(NC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001437087978 962592349 /nfs/dbraw/zinc/59/23/49/962592349.db2.gz MZPPVHKMLWCBLV-JXQTWKCFSA-N 2 0 287.423 1.703 10 0 CDAERP CC[N@H+](CCNC(=O)COC1CC[NH+](C)CC1)CC(C)C ZINC001420442258 962911411 /nfs/dbraw/zinc/91/14/11/962911411.db2.gz VAOKITZKXYFPHZ-UHFFFAOYSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001420465308 962940251 /nfs/dbraw/zinc/94/02/51/962940251.db2.gz AADMDIIOOOBVGJ-KBPBESRZSA-N 2 0 295.471 1.859 10 0 CDAERP CC[N@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](C3CC3)CC2)C1 ZINC001420804720 963257260 /nfs/dbraw/zinc/25/72/60/963257260.db2.gz DZDHGRPXOORSCW-HNNXBMFYSA-N 2 0 279.428 1.413 10 0 CDAERP C[N@H+](CCF)C[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001437980160 963268393 /nfs/dbraw/zinc/26/83/93/963268393.db2.gz RTLLVDRCQACJBP-DZGCQCFKSA-N 2 0 297.418 1.078 10 0 CDAERP COC[C@@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001437993525 963277969 /nfs/dbraw/zinc/27/79/69/963277969.db2.gz SLSUDDHKWKOPSH-CABCVRRESA-N 2 0 299.459 1.142 10 0 CDAERP CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001420885815 963333747 /nfs/dbraw/zinc/33/37/47/963333747.db2.gz IEEVEZAUMDJRGF-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](C)C[NH+]1CC(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001438128063 963334449 /nfs/dbraw/zinc/33/44/49/963334449.db2.gz KTNKKPQJBQIPLF-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1CC1CCCC1 ZINC001420892947 963335182 /nfs/dbraw/zinc/33/51/82/963335182.db2.gz LBWCRCCSGIJBEF-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP CC1(C)CC(C[N@@H+]2CC[C@@H]2CNC(=O)C[NH+]2CCCC2)C1 ZINC001420901792 963342349 /nfs/dbraw/zinc/34/23/49/963342349.db2.gz KBWPNDGQJCJBMR-OAHLLOKOSA-N 2 0 293.455 1.709 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+]Cc1ccccc1F ZINC001438515920 963474832 /nfs/dbraw/zinc/47/48/32/963474832.db2.gz DCFGPUZRUFZPEA-CYBMUJFWSA-N 2 0 295.402 1.619 10 0 CDAERP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001421310831 963548029 /nfs/dbraw/zinc/54/80/29/963548029.db2.gz KRXSVLDBPGQYSQ-HNNXBMFYSA-N 2 0 290.411 1.066 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001438905523 963594798 /nfs/dbraw/zinc/59/47/98/963594798.db2.gz YXNWIKAJZBJVJL-CYBMUJFWSA-N 2 0 287.423 1.467 10 0 CDAERP CC[C@@H](CNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH2+]CC1CCC1 ZINC001421473398 963619847 /nfs/dbraw/zinc/61/98/47/963619847.db2.gz GHIBNJJTZRFUSZ-RDJZCZTQSA-N 2 0 293.455 1.757 10 0 CDAERP C[C@H](C[N@H+](C)CC1CC(C)(C)C1)NC(=O)[C@H]1CCC[NH+]1C ZINC001439315098 963717695 /nfs/dbraw/zinc/71/76/95/963717695.db2.gz RXJXXOOZDIQXGZ-UKRRQHHQSA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001439781461 963858414 /nfs/dbraw/zinc/85/84/14/963858414.db2.gz FHDQZAWJHOIMNE-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+](C[C@H]2CCCCO2)C1 ZINC001439850969 963879522 /nfs/dbraw/zinc/87/95/22/963879522.db2.gz LXOQIKHYXGXRHB-GDBMZVCRSA-N 2 0 297.443 1.088 10 0 CDAERP O=C(C[NH+]1CCCC1)NCC1([NH2+]CC2CCCC2)CCC1 ZINC001440355758 963997126 /nfs/dbraw/zinc/99/71/26/963997126.db2.gz TUFKRJYLJKFHHZ-UHFFFAOYSA-N 2 0 293.455 1.901 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001440362359 963999755 /nfs/dbraw/zinc/99/97/55/963999755.db2.gz NHDCLJYHGBICBV-AJNGGQMLSA-N 2 0 281.444 1.469 10 0 CDAERP CCC(CC)C[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001440384177 964006299 /nfs/dbraw/zinc/00/62/99/964006299.db2.gz SLSILEYFVZRKPS-HNNXBMFYSA-N 2 0 299.459 1.191 10 0 CDAERP COC[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)CC1 ZINC001440399226 964017422 /nfs/dbraw/zinc/01/74/22/964017422.db2.gz QKYVOEOWZDTKCW-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP CCC1([NH2+]CCF)CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001440527619 964102779 /nfs/dbraw/zinc/10/27/79/964102779.db2.gz BTLWHIAPLJXLIN-UHFFFAOYSA-N 2 0 299.434 1.659 10 0 CDAERP CC[NH2+]CC1(NC(=O)[C@@H](CC)[NH+](CC)CC)CCOCC1 ZINC001440571573 964111034 /nfs/dbraw/zinc/11/10/34/964111034.db2.gz AEEOZNPRVXXSMK-CQSZACIVSA-N 2 0 299.459 1.382 10 0 CDAERP CC(C)CC[NH2+][C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001441231779 964427460 /nfs/dbraw/zinc/42/74/60/964427460.db2.gz YGHZHNUJPUCVNI-GOEBONIOSA-N 2 0 295.471 1.859 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@@H]1[C@H]2C[NH+](CC[C@H](C)F)C[C@H]21 ZINC001441283760 964448453 /nfs/dbraw/zinc/44/84/53/964448453.db2.gz BPBAGYBKCSGELN-ZQDZILKHSA-N 2 0 299.434 1.370 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC001441308846 964456665 /nfs/dbraw/zinc/45/66/65/964456665.db2.gz VXKMUIAEBPVTEY-HNNXBMFYSA-N 2 0 281.444 1.519 10 0 CDAERP C[N@H+](C/C=C/Cl)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001441395584 964494749 /nfs/dbraw/zinc/49/47/49/964494749.db2.gz VYYIXVMYUUCHNY-QPJJXVBHSA-N 2 0 299.846 1.758 10 0 CDAERP CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]CC1CCOCC1)[NH+](C)C ZINC001441544845 964583343 /nfs/dbraw/zinc/58/33/43/964583343.db2.gz XPZBNMDXFQIXMM-DZGCQCFKSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]CCC1CC1 ZINC001441872463 964763490 /nfs/dbraw/zinc/76/34/90/964763490.db2.gz WAWUSZIFLMNWQX-DZGCQCFKSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CC1CCC1 ZINC001441917066 964784920 /nfs/dbraw/zinc/78/49/20/964784920.db2.gz JSAHAXHDRJWXOE-ZDUSSCGKSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001441935067 964795472 /nfs/dbraw/zinc/79/54/72/964795472.db2.gz IEDPUMZUIVRASK-NWDGAFQWSA-N 2 0 291.386 1.468 10 0 CDAERP C[C@@H]([NH2+][C@@H](C)CNC(=O)CC[NH+](C)C)c1ccccc1F ZINC001441938923 964799066 /nfs/dbraw/zinc/79/90/66/964799066.db2.gz MULYSLKSRUBLNI-QWHCGFSZSA-N 2 0 295.402 1.933 10 0 CDAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]C/C=C\Cl ZINC001441953245 964805351 /nfs/dbraw/zinc/80/53/51/964805351.db2.gz RHIBECNUCXHZTL-MEPZIYLKSA-N 2 0 273.808 1.175 10 0 CDAERP Cc1cc(C[NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)C2)sn1 ZINC001442098337 964866426 /nfs/dbraw/zinc/86/64/26/964866426.db2.gz LSZGURJPVZDDRL-LBPRGKRZSA-N 2 0 296.440 1.094 10 0 CDAERP CO[C@@H](C)C[NH+]1CCC([C@@H](C)NC(=O)CC[NH+](C)C)CC1 ZINC001442216037 964925379 /nfs/dbraw/zinc/92/53/79/964925379.db2.gz WSFOUXQRJXAVJP-UONOGXRCSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001442521637 965102462 /nfs/dbraw/zinc/10/24/62/965102462.db2.gz REIMPWHONYUNRP-CHWSQXEVSA-N 2 0 273.396 1.124 10 0 CDAERP CC(C)[NH2+]CCC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001444147318 965743564 /nfs/dbraw/zinc/74/35/64/965743564.db2.gz JWUFWBBSQQCOCA-MRXNPFEDSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](C[NH2+]Cc1nccs1)N(C)C(=O)C[NH+]1CCCC1 ZINC001444718838 965929667 /nfs/dbraw/zinc/92/96/67/965929667.db2.gz FPEQQNDVPZFFBP-LBPRGKRZSA-N 2 0 296.440 1.175 10 0 CDAERP C[C@H](C[NH2+]Cc1cncs1)NC(=O)C1([NH+](C)C)CCC1 ZINC001445390941 966182607 /nfs/dbraw/zinc/18/26/07/966182607.db2.gz QUIKXWWNNPAEMY-LLVKDONJSA-N 2 0 296.440 1.222 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC1CC1 ZINC001445401851 966187387 /nfs/dbraw/zinc/18/73/87/966187387.db2.gz JDLYYMVEJWGKEC-UKRRQHHQSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@@H](C[N@H+](C)CCOC1CCC1)NC(=O)C[NH+]1CCCC1 ZINC001445867680 966372008 /nfs/dbraw/zinc/37/20/08/966372008.db2.gz KKGOWEWGXMTOJS-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@@H](C)C[NH+]1CCC(C)(NC(=O)CC[NH+](C)C)CC1 ZINC001446469512 966551649 /nfs/dbraw/zinc/55/16/49/966551649.db2.gz LHNMIULCAHWHGQ-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[NH+](C)CC(=O)NC[C@H](C)[N@@H+](C)CC[C@H](C)F ZINC001448142512 967013211 /nfs/dbraw/zinc/01/32/11/967013211.db2.gz IHJGUNWGKGIZAU-STQMWFEESA-N 2 0 275.412 1.511 10 0 CDAERP CC(C)C[N@@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001448395012 967094576 /nfs/dbraw/zinc/09/45/76/967094576.db2.gz KWQRKGZSAHEJON-AWEZNQCLSA-N 2 0 283.460 1.809 10 0 CDAERP C[C@@H]1[C@H]([NH2+]Cc2cccnc2)CCN1C(=O)CC[NH+](C)C ZINC001448984436 967326303 /nfs/dbraw/zinc/32/63/03/967326303.db2.gz ONZCXGHAOXJJKQ-UKRRQHHQSA-N 2 0 290.411 1.112 10 0 CDAERP CC(C)CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001449017814 967334272 /nfs/dbraw/zinc/33/42/72/967334272.db2.gz QJSFQIDMRFPOAD-HUUCEWRRSA-N 2 0 293.455 1.707 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC1CCC1 ZINC001480486719 967960450 /nfs/dbraw/zinc/96/04/50/967960450.db2.gz NYZSMJDUVIXVEJ-TZMCWYRMSA-N 2 0 267.417 1.365 10 0 CDAERP CCN1CC[C@@H]1C(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001464610795 969800279 /nfs/dbraw/zinc/80/02/79/969800279.db2.gz RPDKPBABHDSIJW-YHUYYLMFSA-N 2 0 293.455 1.944 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N2CC(C[NH+](C)C)C2)C1 ZINC001468177387 970132208 /nfs/dbraw/zinc/13/22/08/970132208.db2.gz GKQJJEHVAUNZJT-AWEZNQCLSA-N 2 0 267.417 1.127 10 0 CDAERP CCCN(C(=O)[C@@H](C)CC[NH+](C)C)[C@H]1CC[N@H+](C)C1 ZINC001469350896 970243152 /nfs/dbraw/zinc/24/31/52/970243152.db2.gz KTNLAUZVNNJKQJ-KBPBESRZSA-N 2 0 269.433 1.517 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+]2CC[C@H](F)C2)C1 ZINC001361693280 970429799 /nfs/dbraw/zinc/42/97/99/970429799.db2.gz QQHYOFPMICSIMU-GJZGRUSLSA-N 2 0 299.434 1.657 10 0 CDAERP COCCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001495549311 972536266 /nfs/dbraw/zinc/53/62/66/972536266.db2.gz WLEOJMMBDWMWIG-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)(C(=O)N1CC[C@H]([NH2+]C/C=C/Cl)C1)[NH+]1CCCC1 ZINC001371521331 972540258 /nfs/dbraw/zinc/54/02/58/972540258.db2.gz PKJTZWUDDVFGHK-IYNGYCSASA-N 2 0 299.846 1.804 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2C[NH2+]C/C=C/Cl)C1 ZINC001495578812 972545370 /nfs/dbraw/zinc/54/53/70/972545370.db2.gz YDXRWURKJMZJLQ-HNCOSLNKSA-N 2 0 299.846 1.661 10 0 CDAERP CC[NH2+]C[C@@H](CC(C)C)NC(=O)COC1CC[NH+](C)CC1 ZINC001496294084 972876578 /nfs/dbraw/zinc/87/65/78/972876578.db2.gz DHILHUPZAVXBBJ-CQSZACIVSA-N 2 0 299.459 1.238 10 0 CDAERP Cc1cc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)no1 ZINC001497153601 973213681 /nfs/dbraw/zinc/21/36/81/973213681.db2.gz GQLZIDLOMMUNCN-BXUZGUMPSA-N 2 0 294.399 1.062 10 0 CDAERP C[C@H](CC[NH2+]C[C@H](C)O)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001497188114 973236937 /nfs/dbraw/zinc/23/69/37/973236937.db2.gz GISWFQQYBJCZDL-KGLIPLIRSA-N 2 0 299.459 1.116 10 0 CDAERP CCN1CC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC001417662581 973256088 /nfs/dbraw/zinc/25/60/88/973256088.db2.gz GSIMRFDNAGVNQN-CQSZACIVSA-N 2 0 295.452 1.733 10 0 CDAERP CCN(CC[NH2+]C/C=C/Cl)C(=O)C[N@H+](C)C1CCC1 ZINC001497401236 973333713 /nfs/dbraw/zinc/33/37/13/973333713.db2.gz RDNQRHQVHREICG-VMPITWQZSA-N 2 0 287.835 1.661 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC[C@@H]2CCCO2)C1)[NH+](C)C ZINC001373593652 973508030 /nfs/dbraw/zinc/50/80/30/973508030.db2.gz BUOMDXWLYFXLKQ-SOUVJXGZSA-N 2 0 297.443 1.086 10 0 CDAERP CCC[NH2+]C[C@@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001497852897 973548670 /nfs/dbraw/zinc/54/86/70/973548670.db2.gz NTJRSYBUWYXNFM-GFCCVEGCSA-N 2 0 287.367 1.385 10 0 CDAERP C[C@@H](C[NH2+]C[C@@H]1CCOC1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001498118631 973693067 /nfs/dbraw/zinc/69/30/67/973693067.db2.gz UHGPJCAEQXUBBG-KBPBESRZSA-N 2 0 299.459 1.095 10 0 CDAERP C[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CCF ZINC001418283175 973727304 /nfs/dbraw/zinc/72/73/04/973727304.db2.gz VTIOPNBLIRBNRZ-OLZOCXBDSA-N 2 0 273.396 1.315 10 0 CDAERP CC[C@@H](C(=O)N1CC[C@H](C[NH2+]C(C)C)C1)[NH+](CC)CC ZINC001418363811 973766574 /nfs/dbraw/zinc/76/65/74/973766574.db2.gz VMVOIYTWPNERJY-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP C[C@H](CCNC(=O)C1CC[NH+](C)CC1)[NH2+]CC[C@H](C)F ZINC001418424362 973816286 /nfs/dbraw/zinc/81/62/86/973816286.db2.gz WKIFQKVWSMFIPV-QWHCGFSZSA-N 2 0 287.423 1.561 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1cncs1 ZINC001374327673 973894228 /nfs/dbraw/zinc/89/42/28/973894228.db2.gz JRXCXDGIVYERNE-GFCCVEGCSA-N 2 0 298.456 1.420 10 0 CDAERP CC(C)C[C@@H](C[NH2+]CC1CC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001374359969 973906188 /nfs/dbraw/zinc/90/61/88/973906188.db2.gz BMVXZKUMYLXHRN-HNNXBMFYSA-N 2 0 293.455 1.613 10 0 CDAERP CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001374365288 973908265 /nfs/dbraw/zinc/90/82/65/973908265.db2.gz OWTAYIPQGKZLTE-HOCLYGCPSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@@H](c1ccccc1)[N@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001418520270 973926337 /nfs/dbraw/zinc/92/63/37/973926337.db2.gz PKTPRCGQCZQFCY-HNNXBMFYSA-N 2 0 289.423 1.891 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)C[C@@H]1CCO[C@@H](C)C1 ZINC001418528846 973933160 /nfs/dbraw/zinc/93/31/60/973933160.db2.gz WSOATCUQOKRJRU-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@H](NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001498816966 974071111 /nfs/dbraw/zinc/07/11/11/974071111.db2.gz JCLTVZCFWSFBLK-DOMZBBRYSA-N 2 0 299.434 1.561 10 0 CDAERP Cc1cc(C)cc(C[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C)c1 ZINC001374930544 974181955 /nfs/dbraw/zinc/18/19/55/974181955.db2.gz JHQVBUJROQSXLY-HNNXBMFYSA-N 2 0 291.439 1.849 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001499920336 974336030 /nfs/dbraw/zinc/33/60/30/974336030.db2.gz BYYKVQWITRYMEJ-KBPBESRZSA-N 2 0 299.434 1.657 10 0 CDAERP CCCC[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001375332750 974341080 /nfs/dbraw/zinc/34/10/80/974341080.db2.gz CAJNEFPDYCNQJY-AWEZNQCLSA-N 2 0 281.444 1.851 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1CCCC(C)(C)C ZINC001375341255 974346165 /nfs/dbraw/zinc/34/61/65/974346165.db2.gz PFBASKKXXDXRJH-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP CCC(CC)C[N@@H+]1CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001375372079 974355139 /nfs/dbraw/zinc/35/51/39/974355139.db2.gz BNKAWDAORKTXJX-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP CC[NH2+]CC[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001501611643 974605724 /nfs/dbraw/zinc/60/57/24/974605724.db2.gz LMABYIRRHJRVSD-CYBMUJFWSA-N 2 0 267.417 1.176 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]C/C=C\Cl)C1 ZINC001376350634 974637955 /nfs/dbraw/zinc/63/79/55/974637955.db2.gz BCPYZLINSWYDIJ-QDDHOEGMSA-N 2 0 299.846 1.804 10 0 CDAERP C[C@H](F)CC[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCC1 ZINC001502026075 974677394 /nfs/dbraw/zinc/67/73/94/974677394.db2.gz LSBWGJSDHOPCFH-ZDUSSCGKSA-N 2 0 285.407 1.459 10 0 CDAERP CC(C)CC[N@@H+]1CCC[C@H](CNC(=O)Cc2ncc[nH]2)C1 ZINC001376531904 974682659 /nfs/dbraw/zinc/68/26/59/974682659.db2.gz PVQYRFGBXMKZHN-CQSZACIVSA-N 2 0 292.427 1.827 10 0 CDAERP Cc1ccc(F)c(C[NH2+][C@@H](C)CNC(=O)CC[NH+](C)C)c1 ZINC001376812229 974779182 /nfs/dbraw/zinc/77/91/82/974779182.db2.gz PIGVSTHNASCOLW-ZDUSSCGKSA-N 2 0 295.402 1.680 10 0 CDAERP CC(C)C[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001376822440 974784439 /nfs/dbraw/zinc/78/44/39/974784439.db2.gz JMDUSHPPNQQELU-HUUCEWRRSA-N 2 0 283.460 2.000 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCc1cccs1 ZINC001376875367 974799712 /nfs/dbraw/zinc/79/97/12/974799712.db2.gz GNGCESNWZNUUEV-OLZOCXBDSA-N 2 0 295.452 1.337 10 0 CDAERP COCC[NH2+]CC1CC(NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001505518522 974899272 /nfs/dbraw/zinc/89/92/72/974899272.db2.gz MQPXSFQSLPNVSX-UHFFFAOYSA-N 2 0 299.459 1.095 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC1CC(C[NH2+]CCCF)C1 ZINC001505537889 974902264 /nfs/dbraw/zinc/90/22/64/974902264.db2.gz OVTHHCBFAGUCTP-UHFFFAOYSA-N 2 0 273.396 1.171 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)CCC(C)C ZINC001377334048 974978360 /nfs/dbraw/zinc/97/83/60/974978360.db2.gz HEALQWLGARQIEX-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CC[N@H+](CCCC(C)C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001377367411 974991121 /nfs/dbraw/zinc/99/11/21/974991121.db2.gz XWIYOSYJIFFRQX-OAHLLOKOSA-N 2 0 283.460 1.812 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@H]1CC[N@H+](CC2CC2)C1 ZINC001377440041 975028097 /nfs/dbraw/zinc/02/80/97/975028097.db2.gz SKTKGBZWBYDHQJ-HUUCEWRRSA-N 2 0 299.434 1.514 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+](C[C@@H](F)CC)C1 ZINC001377462396 975036936 /nfs/dbraw/zinc/03/69/36/975036936.db2.gz QBGCTSNPCMJVKG-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)CC1CC1 ZINC001377682338 975110813 /nfs/dbraw/zinc/11/08/13/975110813.db2.gz ZCBRBXCATLHUIU-HNNXBMFYSA-N 2 0 281.444 1.659 10 0 CDAERP CC[C@H](C(=O)NCC[C@@H]1CC[N@H+](CCF)C1)[NH+](C)C ZINC001377713704 975118995 /nfs/dbraw/zinc/11/89/95/975118995.db2.gz AMJHVWDDCONTSO-CHWSQXEVSA-N 2 0 273.396 1.124 10 0 CDAERP C[C@H](F)CC[N@@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001377844450 975154528 /nfs/dbraw/zinc/15/45/28/975154528.db2.gz WUZQHZIHQQSTNO-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[N@H+](C)CC1CCC1 ZINC001378043453 975218312 /nfs/dbraw/zinc/21/83/12/975218312.db2.gz OYHCMGMNJGUFRA-XJKSGUPXSA-N 2 0 293.455 1.565 10 0 CDAERP CC[C@H](C(=O)NC[C@H](CC)[NH2+]Cc1nccs1)[NH+](C)C ZINC001378312887 975327945 /nfs/dbraw/zinc/32/79/45/975327945.db2.gz BSEOJUWIRIPPFL-NWDGAFQWSA-N 2 0 298.456 1.468 10 0 CDAERP Cc1ccncc1C[NH2+][C@@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001507118193 975343133 /nfs/dbraw/zinc/34/31/33/975343133.db2.gz MEWKJPHICLUNKP-AWEZNQCLSA-N 2 0 292.427 1.278 10 0 CDAERP C[C@H](NC(=O)CC[NH+](C)C)C1C[NH+](CC2CCCCC2)C1 ZINC001378551600 975391053 /nfs/dbraw/zinc/39/10/53/975391053.db2.gz GFQOQAZFEZQRCZ-AWEZNQCLSA-N 2 0 295.471 1.955 10 0 CDAERP CCOCCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H]1C ZINC001507295509 975402195 /nfs/dbraw/zinc/40/21/95/975402195.db2.gz NDFQTRQSZJLKED-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CC[N@@H+]1CC[C@@H](CCNC(=O)C(C)(C)n2cnc(C)c2)C1 ZINC001404494637 975408777 /nfs/dbraw/zinc/40/87/77/975408777.db2.gz BEWMYNWEHMTKCO-CQSZACIVSA-N 2 0 292.427 1.775 10 0 CDAERP CC(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001378866300 975520878 /nfs/dbraw/zinc/52/08/78/975520878.db2.gz JCMZQBHIUCWYJZ-RBSFLKMASA-N 2 0 283.460 1.713 10 0 CDAERP CC[C@H](C(=O)N(CC[N@H+](C)C(C)C)C(C)C)[NH+](C)C ZINC001507811012 975544568 /nfs/dbraw/zinc/54/45/68/975544568.db2.gz YCPRRJMTHAMGGD-CQSZACIVSA-N 2 0 271.449 1.904 10 0 CDAERP CCC[N@H+](C)CCN(C(=O)Cc1[nH]cnc1C)C(C)C ZINC001507865006 975554388 /nfs/dbraw/zinc/55/43/88/975554388.db2.gz ZWMUWLXAONJSMA-UHFFFAOYSA-N 2 0 280.416 1.839 10 0 CDAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]C/C=C\Cl ZINC001401286609 975564159 /nfs/dbraw/zinc/56/41/59/975564159.db2.gz BKBWGISLXAADBI-ACOKAEEESA-N 2 0 287.835 1.517 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC(CC[N@H+](C)CCF)CC1 ZINC001401304076 975569727 /nfs/dbraw/zinc/56/97/27/975569727.db2.gz IZMATSTYWDDLKN-UHFFFAOYSA-N 2 0 287.423 1.468 10 0 CDAERP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCF ZINC001378973235 975573537 /nfs/dbraw/zinc/57/35/37/975573537.db2.gz UXVLVMYWYBPZDG-UPJWGTAASA-N 2 0 273.396 1.027 10 0 CDAERP CC[NH2+][C@@H]1CC[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001388758310 975581026 /nfs/dbraw/zinc/58/10/26/975581026.db2.gz QRDNSEHGJOOJEB-LSDHHAIUSA-N 2 0 281.444 1.757 10 0 CDAERP C[C@@H](NC(=O)CCC[NH+](C)C)C1CC[NH+](CC2CC2)CC1 ZINC001508064846 975595666 /nfs/dbraw/zinc/59/56/66/975595666.db2.gz MMQFNPWZNICFKB-CQSZACIVSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[NH2+]CC[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001405474741 975754973 /nfs/dbraw/zinc/75/49/73/975754973.db2.gz DBTWVOXLSUNZOJ-HNNXBMFYSA-N 2 0 293.455 1.709 10 0 CDAERP C[C@@H](C[NH2+]Cc1cncs1)NC(=O)CCC[NH+](C)C ZINC001401702438 975811185 /nfs/dbraw/zinc/81/11/85/975811185.db2.gz PQRBYGNGALXDQD-NSHDSACASA-N 2 0 284.429 1.079 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccccn1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001401707883 975819914 /nfs/dbraw/zinc/81/99/14/975819914.db2.gz OEAXKXJWEJZYEL-KBPBESRZSA-N 2 0 290.411 1.018 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H](C[N@H+](C)CC2CCC2)C1 ZINC001389747848 975969559 /nfs/dbraw/zinc/96/95/59/975969559.db2.gz VNAGHNFZKQDTNU-MRXNPFEDSA-N 2 0 295.471 1.909 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]([NH2+]CC2CC2)C2CC2)C1 ZINC001398455537 975994180 /nfs/dbraw/zinc/99/41/80/975994180.db2.gz QGAAQSUURHWORB-DOMZBBRYSA-N 2 0 279.428 1.223 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]([NH2+]CCC(C)(C)C)C2)C1 ZINC001389803731 975997669 /nfs/dbraw/zinc/99/76/69/975997669.db2.gz CGGSJJCVENQREV-GJZGRUSLSA-N 2 0 295.471 1.955 10 0 CDAERP CC1CC(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CC[NH+](C)C)C1 ZINC001398482581 976005030 /nfs/dbraw/zinc/00/50/30/976005030.db2.gz TZSJKWNZKJLSGI-STONLHKKSA-N 2 0 293.455 1.659 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001379699868 976018768 /nfs/dbraw/zinc/01/87/68/976018768.db2.gz USGBLKPGKCDION-LSDHHAIUSA-N 2 0 281.444 1.613 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]C/C=C\Cl)C(C)(C)C1 ZINC001379722007 976028969 /nfs/dbraw/zinc/02/89/69/976028969.db2.gz ZSUYRGBWLPMHTA-SMYYYNMVSA-N 2 0 287.835 1.517 10 0 CDAERP CC(C)[NH2+]C1(CNC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001401980076 976054255 /nfs/dbraw/zinc/05/42/55/976054255.db2.gz WBKXDBKDQHJROG-UHFFFAOYSA-N 2 0 293.455 1.755 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001389956945 976062479 /nfs/dbraw/zinc/06/24/79/976062479.db2.gz IJXKUFDYIOCFBN-BYNSBNAKSA-N 2 0 299.434 1.846 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001379898912 976119792 /nfs/dbraw/zinc/11/97/92/976119792.db2.gz YWKLWFUQDZZVGL-XJKSGUPXSA-N 2 0 295.471 1.859 10 0 CDAERP CO[C@@H](C)C[N@H+](C)CCN(C(=O)[C@H]1CCC[NH+]1C)C(C)C ZINC001380013150 976187566 /nfs/dbraw/zinc/18/75/66/976187566.db2.gz RJXYGKZGGDOQGS-LSDHHAIUSA-N 2 0 299.459 1.284 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]([NH2+]CCC2CC2)C2CC2)C1 ZINC001402321389 976235886 /nfs/dbraw/zinc/23/58/86/976235886.db2.gz DTFABTIZTHKDHD-CZUORRHYSA-N 2 0 293.455 1.613 10 0 CDAERP Cc1ncc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C)s1 ZINC001390462313 976307196 /nfs/dbraw/zinc/30/71/96/976307196.db2.gz RMZOFMWEIREXMM-ZWNOBZJWSA-N 2 0 296.440 1.140 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC ZINC001402481873 976307881 /nfs/dbraw/zinc/30/78/81/976307881.db2.gz UNUWACYWLULGQU-LSDHHAIUSA-N 2 0 281.444 1.804 10 0 CDAERP CC[C@@H](F)C[NH2+][C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001399085958 976319911 /nfs/dbraw/zinc/31/99/11/976319911.db2.gz BSQFLKPOSBDUPJ-UONOGXRCSA-N 2 0 287.423 1.561 10 0 CDAERP CC(C)C[C@H](C)C[NH2+][C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001390516059 976343598 /nfs/dbraw/zinc/34/35/98/976343598.db2.gz XJWRQZHFVRWRBN-GJZGRUSLSA-N 2 0 295.471 1.859 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]CC1CCC1)C1CC1 ZINC001406765548 976399981 /nfs/dbraw/zinc/39/99/81/976399981.db2.gz HKFHKIMKTVZLOG-HZPDHXFCSA-N 2 0 293.455 1.755 10 0 CDAERP CN(CCC[N@H+](C)CCF)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001402649631 976424298 /nfs/dbraw/zinc/42/42/98/976424298.db2.gz PZHNQAXDPIHIAJ-UHFFFAOYSA-N 2 0 287.423 1.611 10 0 CDAERP Cc1noc(C)c1C[NH2+][C@H](C)CCNC(=O)CC[NH+](C)C ZINC001390695452 976440912 /nfs/dbraw/zinc/44/09/12/976440912.db2.gz CRBVVOVBAJINCK-LLVKDONJSA-N 2 0 296.415 1.228 10 0 CDAERP CC(C)CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001402766726 976471945 /nfs/dbraw/zinc/47/19/45/976471945.db2.gz DBPLODJLEQSJCS-LSDHHAIUSA-N 2 0 283.460 1.809 10 0 CDAERP CC(C)CC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H](C)C1 ZINC001407095926 976551368 /nfs/dbraw/zinc/55/13/68/976551368.db2.gz RSSNQMPJOPUKQR-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP COc1cccc(C[N@H+](C)CCNC(=O)CC[NH+](C)C)c1 ZINC001399573503 976579050 /nfs/dbraw/zinc/57/90/50/976579050.db2.gz WFTBZDPBLUBBPZ-UHFFFAOYSA-N 2 0 293.411 1.195 10 0 CDAERP CC(C)C[NH2+]CC1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001402944041 976605335 /nfs/dbraw/zinc/60/53/35/976605335.db2.gz IFVVSXSCWBNILV-WLYUNCDWSA-N 2 0 281.444 1.469 10 0 CDAERP CCC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)CC[C@@H](C)F ZINC001391140022 976718405 /nfs/dbraw/zinc/71/84/05/976718405.db2.gz IOBJGLVMAJYJCY-CQSZACIVSA-N 2 0 299.434 1.659 10 0 CDAERP Cc1cc(C[NH2+][C@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)cs1 ZINC001403134844 976753693 /nfs/dbraw/zinc/75/36/93/976753693.db2.gz JICRZIZAJOFFBD-RISCZKNCSA-N 2 0 295.452 1.603 10 0 CDAERP CN(CCC[N@H+](C)CC1CC1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001407903736 976825196 /nfs/dbraw/zinc/82/51/96/976825196.db2.gz KRLDGTJWQGSXIV-MRXNPFEDSA-N 2 0 293.455 1.519 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1CCC[N@H+](CC[C@@H](C)F)C1)[NH+](C)C ZINC001391400789 976858264 /nfs/dbraw/zinc/85/82/64/976858264.db2.gz XKGKCARLJMNLSL-RDBSUJKOSA-N 2 0 287.423 1.655 10 0 CDAERP C[NH+](C)CCC(=O)NCC[C@H]1CC[N@H+](C/C=C\Cl)C1 ZINC001400181221 976903587 /nfs/dbraw/zinc/90/35/87/976903587.db2.gz XSJFJJSGSPQTCN-QTEJZOKPSA-N 2 0 287.835 1.519 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[NH2+]CCF ZINC001391696831 977051879 /nfs/dbraw/zinc/05/18/79/977051879.db2.gz TXGBLZSRIFIWMI-OLZOCXBDSA-N 2 0 273.396 1.313 10 0 CDAERP CC(C)CC[N@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001403569930 977072228 /nfs/dbraw/zinc/07/22/28/977072228.db2.gz WVWSIAMBJXXUEA-HNNXBMFYSA-N 2 0 281.444 1.422 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@@](C)(C[NH2+]CC1CC1)C1CC1 ZINC001391790723 977098766 /nfs/dbraw/zinc/09/87/66/977098766.db2.gz WVTFSLLLRLWLTI-HOCLYGCPSA-N 2 0 279.428 1.365 10 0 CDAERP CC(C)[NH2+][C@H](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001381996493 977116778 /nfs/dbraw/zinc/11/67/78/977116778.db2.gz OJJIKFNPLZYSSY-JKSUJKDBSA-N 2 0 295.471 1.857 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@H+](C)C(C)C ZINC001382045818 977135318 /nfs/dbraw/zinc/13/53/18/977135318.db2.gz YCYIANSUUZELPE-HNNXBMFYSA-N 2 0 283.460 1.809 10 0 CDAERP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1[N@H+](CC1CC1)CC2 ZINC001403830505 977220864 /nfs/dbraw/zinc/22/08/64/977220864.db2.gz VHJWOXLESPZENJ-ZBFHGGJFSA-N 2 0 279.428 1.461 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1C[C@H](C)CC ZINC001404015271 977307826 /nfs/dbraw/zinc/30/78/26/977307826.db2.gz IAEVCEFWHDFVAF-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H](F)CC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001404020156 977310247 /nfs/dbraw/zinc/31/02/47/977310247.db2.gz IZZLGSCMOYCRSC-UONOGXRCSA-N 2 0 285.407 1.411 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](C[NH2+]CCC2CC2)C1 ZINC001569851382 1170016640 /nfs/dbraw/zinc/01/66/40/1170016640.db2.gz VDELBOKTKICDIR-GOEBONIOSA-N 2 0 295.471 1.812 10 0 CDAERP C[C@H](C[N@H+](C)CCOC1CCC1)NC(=O)[C@@H]1CCC[NH+]1C ZINC001392646025 977526476 /nfs/dbraw/zinc/52/64/76/977526476.db2.gz WYSJGZUXWYYSBA-HIFRSBDPSA-N 2 0 297.443 1.086 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CC1CC1 ZINC001392740850 977579161 /nfs/dbraw/zinc/57/91/61/977579161.db2.gz YUDGXWRMOXGOAW-GJZGRUSLSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)[NH2+]C1(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001392932932 977655892 /nfs/dbraw/zinc/65/58/92/977655892.db2.gz OOFFPILWONSRJD-MRXNPFEDSA-N 2 0 299.434 1.846 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC ZINC001393467010 977796767 /nfs/dbraw/zinc/79/67/67/977796767.db2.gz WWTTZKJIPKUQRQ-KKUMJFAQSA-N 2 0 299.434 1.752 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH2+]CCC3CC3)CCC2)C1 ZINC001393566460 977837460 /nfs/dbraw/zinc/83/74/60/977837460.db2.gz MQMKYYUYMLHLRT-HNNXBMFYSA-N 2 0 293.455 1.757 10 0 CDAERP CC(C)C[N@H+](C)[C@@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001394071309 978048577 /nfs/dbraw/zinc/04/85/77/978048577.db2.gz AHRSJFMESCDESN-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)CC[N@H+](C)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001394099417 978062825 /nfs/dbraw/zinc/06/28/25/978062825.db2.gz CRQVPRUHLZREKI-CQSZACIVSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001394224569 978110165 /nfs/dbraw/zinc/11/01/65/978110165.db2.gz ZRWFOVHXDSCXFW-GDBMZVCRSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@H](O)C[N@H+](C)C[C@@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001674496322 1173953786 /nfs/dbraw/zinc/95/37/86/1173953786.db2.gz WBDVIBGAWIJSMA-GJZGRUSLSA-N 2 0 299.459 1.022 10 0 CDAERP COCC[NH2+]C1CCC(N(C)C(=O)C[NH+]2CCCC2)CC1 ZINC001570667535 1170227016 /nfs/dbraw/zinc/22/70/16/1170227016.db2.gz MZENRSHCISGUQA-UHFFFAOYSA-N 2 0 297.443 1.088 10 0 CDAERP CCC[N@H+](C)CCOCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001571343175 1170376252 /nfs/dbraw/zinc/37/62/52/1170376252.db2.gz MDKUBILURXPXPI-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)[NH2+]CCOCCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001571678815 1170518403 /nfs/dbraw/zinc/51/84/03/1170518403.db2.gz CEVBZPGELUEDBZ-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP CCN1CCCC[C@@H]1C(=O)OC[C@@]1(C)C[C@@H](OC)C[N@@H+]1C ZINC001650482718 1171115905 /nfs/dbraw/zinc/11/59/05/1171115905.db2.gz IFAYFIOPBBTINL-IIAWOOMASA-N 2 0 298.427 1.513 10 0 CDAERP C[C@@H]1CN(Cc2[nH+]c(NN)ccc2Cl)CC[N@@H+]1C ZINC000082484853 178055496 /nfs/dbraw/zinc/05/54/96/178055496.db2.gz GZULWWNBHYPOOA-SECBINFHSA-N 2 0 269.780 1.157 10 0 CDAERP CCO[C@@H](C[N@@H+]1CC[C@@H](CN2CCOCC2)C1)C1CC1 ZINC000625183557 342038617 /nfs/dbraw/zinc/03/86/17/342038617.db2.gz NCKDOUFZHQHCQJ-HOCLYGCPSA-N 2 0 282.428 1.456 10 0 CDAERP Cc1ncc2c(n1)CC[C@H]([NH2+][C@H]1CN(C)C[C@H]1C)C2 ZINC000531691377 361780079 /nfs/dbraw/zinc/78/00/79/361780079.db2.gz XGPUGTWEDSCDNU-DGFSRKRXSA-N 2 0 260.385 1.182 10 0 CDAERP C[C@H]1C[C@H]([N@H+](C)CCOC2CCOCC2)CCN1C ZINC000625214975 342041594 /nfs/dbraw/zinc/04/15/94/342041594.db2.gz XUHJKLQKWQLYAC-UONOGXRCSA-N 2 0 270.417 1.597 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000650918552 398266125 /nfs/dbraw/zinc/26/61/25/398266125.db2.gz GUNIQQALHGEVDB-CABCVRRESA-N 2 0 298.475 1.746 10 0 CDAERP C[N@H+](CCNC(=O)N[C@@H]1CCC[NH+](C)C1)C1CCCC1 ZINC000591571305 342637535 /nfs/dbraw/zinc/63/75/35/342637535.db2.gz IKCJRKYWGMWBFA-CYBMUJFWSA-N 2 0 282.432 1.254 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H]1CCC[N@H+](C)C1)[NH+]1CCCCC1 ZINC000591871791 342649069 /nfs/dbraw/zinc/64/90/69/342649069.db2.gz QGOLACZUUBSMGV-GJZGRUSLSA-N 2 0 281.444 1.707 10 0 CDAERP C[N@H+](CCOC1CCOCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000625422666 342158143 /nfs/dbraw/zinc/15/81/43/342158143.db2.gz JMCKCGPMSHAKLG-YIONKMFJSA-N 2 0 282.428 1.739 10 0 CDAERP O=C1CC[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC000096950778 185140015 /nfs/dbraw/zinc/14/00/15/185140015.db2.gz OWDGIQPTMQHBJI-UHFFFAOYSA-N 2 0 258.365 1.831 10 0 CDAERP COc1ccc(C[NH2+]CCOCCC[NH3+])cc1Cl ZINC000629398937 361920467 /nfs/dbraw/zinc/92/04/67/361920467.db2.gz JYUDOHSLXFCKCD-UHFFFAOYSA-N 2 0 272.776 1.804 10 0 CDAERP CC(C)(C)OC(=O)N1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000669384844 539072629 /nfs/dbraw/zinc/07/26/29/539072629.db2.gz JGNJOTMQTLBQDR-OLZOCXBDSA-N 2 0 283.416 1.667 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N[C@H]1CCC[NH+](C)C1 ZINC000594293814 342888328 /nfs/dbraw/zinc/88/83/28/342888328.db2.gz WZJFOAFTRDZTCA-ZNMIVQPWSA-N 2 0 296.459 1.643 10 0 CDAERP COC(=O)CCCC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000600708801 342243183 /nfs/dbraw/zinc/24/31/83/342243183.db2.gz GKXNAPXBKSKGPR-RRFJBIMHSA-N 2 0 298.427 1.691 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000358195353 539109105 /nfs/dbraw/zinc/10/91/05/539109105.db2.gz LTFQCXQXMFSJHM-HNNXBMFYSA-N 2 0 296.459 1.668 10 0 CDAERP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000594944671 342980185 /nfs/dbraw/zinc/98/01/85/342980185.db2.gz UQRPQZJNQUMHBX-FRRDWIJNSA-N 2 0 268.401 1.506 10 0 CDAERP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000594946987 342981223 /nfs/dbraw/zinc/98/12/23/342981223.db2.gz VPRYXPLQFBOTQB-FPMFFAJLSA-N 2 0 268.401 1.648 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000594921122 342987293 /nfs/dbraw/zinc/98/72/93/342987293.db2.gz BMNFWZTUPHADDC-KBUPBQIOSA-N 2 0 298.427 1.011 10 0 CDAERP Cn1ncc(C(F)(F)F)c1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000629511838 362123025 /nfs/dbraw/zinc/12/30/25/362123025.db2.gz BGGNYJWJVFOKJZ-BDAKNGLRSA-N 2 0 276.306 1.798 10 0 CDAERP Cn1ncc(C(F)(F)F)c1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000629513961 362128392 /nfs/dbraw/zinc/12/83/92/362128392.db2.gz NOFFMJPZALDSDK-SCZZXKLOSA-N 2 0 276.306 1.656 10 0 CDAERP CCO[C@H]1C[C@@H]([NH2+]CC2([NH3+])CCOCC2)C12CCC2 ZINC000629522741 362143167 /nfs/dbraw/zinc/14/31/67/362143167.db2.gz ADSDGRBYUBPLFO-OLZOCXBDSA-N 2 0 268.401 1.432 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)c1sccc1OC ZINC000629530903 362160079 /nfs/dbraw/zinc/16/00/79/362160079.db2.gz UVPNHYOPUUEWEF-SNVBAGLBSA-N 2 0 258.387 1.643 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)c1ccc(F)c(OC)c1 ZINC000629529957 362161683 /nfs/dbraw/zinc/16/16/83/362161683.db2.gz RKCNUNOTZQPXSB-LLVKDONJSA-N 2 0 270.348 1.721 10 0 CDAERP CCO[C@@H](C[NH+]1CCC2(CC[NH2+]C2)CC1)C1CC1 ZINC000629531916 362162567 /nfs/dbraw/zinc/16/25/67/362162567.db2.gz DTZGDCXIMOWZBD-AWEZNQCLSA-N 2 0 252.402 1.877 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000629531615 362163523 /nfs/dbraw/zinc/16/35/23/362163523.db2.gz RLEDWTHEYMKTCD-KBPBESRZSA-N 3 0 257.422 1.123 10 0 CDAERP CS[C@H]1CC[C@@H]1[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000597181547 343477441 /nfs/dbraw/zinc/47/74/41/343477441.db2.gz AJQIAVQDHQBNHH-IHRRRGAJSA-N 2 0 273.490 1.742 10 0 CDAERP COC(=O)[C@H]1CSCC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000412062789 362366067 /nfs/dbraw/zinc/36/60/67/362366067.db2.gz BQIJXQRIFFDZCZ-OLZOCXBDSA-N 2 0 286.441 1.309 10 0 CDAERP Cc1ccc([C@@H](C)NC[C@H](O)C[N@H+](C)C2CC2)o1 ZINC000289612309 362425717 /nfs/dbraw/zinc/42/57/17/362425717.db2.gz UKIJHPSPDXWGAW-YPMHNXCESA-N 2 0 252.358 1.694 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000569697101 362445417 /nfs/dbraw/zinc/44/54/17/362445417.db2.gz IUODLLDYKMKFTE-ZDEQEGDKSA-N 2 0 253.390 1.103 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000262251911 344697379 /nfs/dbraw/zinc/69/73/79/344697379.db2.gz DQJNSPZJLABAGW-KFWWJZLASA-N 2 0 281.444 1.598 10 0 CDAERP CC[NH+](CC)[C@@H](C)CNC(=O)NCC[N@H+](CC)C1CC1 ZINC000101981062 362546493 /nfs/dbraw/zinc/54/64/93/362546493.db2.gz JWQUYOIJJRDLAV-ZDUSSCGKSA-N 2 0 284.448 1.500 10 0 CDAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]CCSCc1ccccc1 ZINC000263294211 362660680 /nfs/dbraw/zinc/66/06/80/362660680.db2.gz WCTAKXBRENYDQL-UONOGXRCSA-N 2 0 266.410 1.090 10 0 CDAERP C[C@H](C(=O)N[C@H]1CCC[N@H+](C)C1)[NH+]1CCCCCC1 ZINC000608356865 345734911 /nfs/dbraw/zinc/73/49/11/345734911.db2.gz WYXIBCPKTKRHRF-KGLIPLIRSA-N 2 0 267.417 1.461 10 0 CDAERP CCN(C(=O)[C@@H]1CCc2cnc(C)n2C1)[C@H]1CC[N@H+](C)C1 ZINC000617551692 345845707 /nfs/dbraw/zinc/84/57/07/345845707.db2.gz XELCVNNGIXCIDW-HIFRSBDPSA-N 2 0 290.411 1.307 10 0 CDAERP CN(CCC[NH+](C)C)CCNC(=O)c1cc(F)ccc1O ZINC000617764719 345960513 /nfs/dbraw/zinc/96/05/13/345960513.db2.gz DBPCSUMYCXMEMH-UHFFFAOYSA-N 2 0 297.374 1.145 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000563092201 293270609 /nfs/dbraw/zinc/27/06/09/293270609.db2.gz IQJMVVUVAHMTBJ-FEPKRQSRSA-N 2 0 284.448 1.532 10 0 CDAERP OCCN1CCC[C@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC000384666990 346063942 /nfs/dbraw/zinc/06/39/42/346063942.db2.gz CHHARFACZWQDKE-YCOJEUHLSA-N 2 0 260.381 1.746 10 0 CDAERP CC(C)COC[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623373908 346109111 /nfs/dbraw/zinc/10/91/11/346109111.db2.gz PPJUGBDJEHLCRG-ZIAGYGMSSA-N 2 0 272.433 1.482 10 0 CDAERP C[C@H]1CN(CC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CCO1 ZINC000623403886 346171419 /nfs/dbraw/zinc/17/14/19/346171419.db2.gz KMULWEUDNMVNQF-KBPBESRZSA-N 2 0 269.433 1.170 10 0 CDAERP Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@H]2CCC[C@H]2[NH3+])o1 ZINC000085369401 179039267 /nfs/dbraw/zinc/03/92/67/179039267.db2.gz QMGLOVWORSXEEM-LSDHHAIUSA-N 2 0 293.411 1.606 10 0 CDAERP CC[NH+](CC)CCCn1c(C)nc2c1CC[NH2+]C2 ZINC000085569206 179096183 /nfs/dbraw/zinc/09/61/83/179096183.db2.gz RSDAKHPGZLGOKX-UHFFFAOYSA-N 2 0 250.390 1.569 10 0 CDAERP CC(C)c1nc2c(n1C[C@H]1CC[N@H+](C)C1)CC[NH2+]C2 ZINC000085570462 179096574 /nfs/dbraw/zinc/09/65/74/179096574.db2.gz POVROUGLDYVGKR-LBPRGKRZSA-N 2 0 262.401 1.604 10 0 CDAERP CCCc1nc2c(n1C[C@H]1CCCC[N@@H+]1C)CC[NH2+]C2 ZINC000085572835 179098444 /nfs/dbraw/zinc/09/84/44/179098444.db2.gz VGRMVFVKQNBWHC-CYBMUJFWSA-N 2 0 276.428 1.966 10 0 CDAERP CCc1nncn1CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623435538 346736540 /nfs/dbraw/zinc/73/65/40/346736540.db2.gz IMGQWSKTXOWOTB-GFCCVEGCSA-N 2 0 265.405 1.303 10 0 CDAERP CN(C(=O)N[C@@H]1CC12CC[NH2+]CC2)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000612968770 347347443 /nfs/dbraw/zinc/34/74/43/347347443.db2.gz BMEXGACDNTVWJQ-UONOGXRCSA-N 2 0 292.427 1.007 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)CC1(C)C ZINC000623481913 347437533 /nfs/dbraw/zinc/43/75/33/347437533.db2.gz ZNDUGUPKDZQYEQ-LZWOXQAQSA-N 2 0 282.428 1.787 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N(C)[C@H]1CC[NH+](C2CC2)C1 ZINC000352041033 362831534 /nfs/dbraw/zinc/83/15/34/362831534.db2.gz WWICMRAIYIQEFY-HNNXBMFYSA-N 2 0 296.459 1.596 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CN1CC[NH2+][C@@](C)(C2CC2)C1 ZINC000086145822 179238439 /nfs/dbraw/zinc/23/84/39/179238439.db2.gz LHRIHRHYELUPRE-LSDHHAIUSA-N 2 0 251.418 1.545 10 0 CDAERP C[C@H](CC[NH+](C)C)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000086177482 179247186 /nfs/dbraw/zinc/24/71/86/179247186.db2.gz KNLFZSIECAMFTP-GDBMZVCRSA-N 2 0 261.413 1.973 10 0 CDAERP CCO[C@@H]1COCC[C@H]1[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623492157 347603326 /nfs/dbraw/zinc/60/33/26/347603326.db2.gz NYLKEQMFTDHCRQ-BFHYXJOUSA-N 2 0 270.417 1.643 10 0 CDAERP C[C@@H]1CN[C@](C)(C2CC2)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086259003 179256906 /nfs/dbraw/zinc/25/69/06/179256906.db2.gz CMSNRXYGKWQOCK-CJNGLKHVSA-N 2 0 265.445 1.791 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CCc3nc[nH]c3C2)CC1(C)C ZINC000623527726 347617090 /nfs/dbraw/zinc/61/70/90/347617090.db2.gz DYGZEBGWNFRDDO-NWDGAFQWSA-N 2 0 262.401 1.729 10 0 CDAERP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)[C@@H](O)C(F)F ZINC000623537501 347621308 /nfs/dbraw/zinc/62/13/08/347621308.db2.gz ZBBIULWRGDLSSZ-OUAUKWLOSA-N 2 0 264.360 1.853 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCO[C@H]2CC2(F)F)CC1(C)C ZINC000623564379 347634914 /nfs/dbraw/zinc/63/49/14/347634914.db2.gz AFDWDAOJHANMRY-QWRGUYRKSA-N 2 0 262.344 1.873 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC[NH2+]1 ZINC000262821786 362902891 /nfs/dbraw/zinc/90/28/91/362902891.db2.gz GVIHYGIOIVVXTK-POQQGIQPSA-N 2 0 265.401 1.164 10 0 CDAERP CC(C)[NH+]1CCC(N(C)C(=O)[C@H]2C[NH2+]C[C@@H]2C)CC1 ZINC000104220638 185934477 /nfs/dbraw/zinc/93/44/77/185934477.db2.gz ILZPDDCPZPYNJY-JSGCOSHPSA-N 2 0 267.417 1.173 10 0 CDAERP CC[C@@H](C(N)=O)[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000057924459 348851605 /nfs/dbraw/zinc/85/16/05/348851605.db2.gz AWQUBEMNMINGGP-ZDUSSCGKSA-N 2 0 255.406 1.304 10 0 CDAERP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629536118 362949923 /nfs/dbraw/zinc/94/99/23/362949923.db2.gz DUDNAJIBQJMVOQ-SCDSUCTJSA-N 2 0 262.401 1.640 10 0 CDAERP C[C@H]([NH2+]CCOCCC[NH3+])c1ccc(-n2cncn2)cc1 ZINC000629537791 362952064 /nfs/dbraw/zinc/95/20/64/362952064.db2.gz KWUURQMSNYWYNJ-ZDUSSCGKSA-N 2 0 289.383 1.283 10 0 CDAERP C[C@@H]([NH2+]CCOCCC[NH3+])c1ccnn1-c1ccccc1 ZINC000629538544 362955637 /nfs/dbraw/zinc/95/56/37/362955637.db2.gz NREHPCGSHGTFQR-CQSZACIVSA-N 2 0 288.395 1.888 10 0 CDAERP CC(C)CO[C@@H]1C[C@H]([NH2+]CCOCCC[NH3+])C1(C)C ZINC000629541181 362964964 /nfs/dbraw/zinc/96/49/64/362964964.db2.gz XZSFEWXLBFESST-UONOGXRCSA-N 2 0 272.433 1.781 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000629545701 362970234 /nfs/dbraw/zinc/97/02/34/362970234.db2.gz MMBAQHKXVBHSAL-PWXKEOIMSA-N 2 0 287.407 1.582 10 0 CDAERP [NH3+]C1(CNC(=O)CC[C@H]2CCC[NH2+]C2)CCCCCC1 ZINC000621621125 350678206 /nfs/dbraw/zinc/67/82/06/350678206.db2.gz SCYOWOLHJNBFIY-CQSZACIVSA-N 2 0 281.444 1.934 10 0 CDAERP CCn1nccc1CC[NH+]1CCC(CC[NH2+]C)CC1 ZINC000621775037 350771012 /nfs/dbraw/zinc/77/10/12/350771012.db2.gz DLKFGHBMMVSZET-UHFFFAOYSA-N 2 0 264.417 1.767 10 0 CDAERP Fc1cccc(OC2CCN(C[C@H]3C[NH2+]CCO3)CC2)c1 ZINC000629553776 362981778 /nfs/dbraw/zinc/98/17/78/362981778.db2.gz XQSFECNWRHPMPJ-MRXNPFEDSA-N 2 0 294.370 1.657 10 0 CDAERP Cc1nsc(N2CCCN(C[C@@H]([NH3+])CC(C)C)CC2)n1 ZINC000414712943 366015351 /nfs/dbraw/zinc/01/53/51/366015351.db2.gz VAGVKGOJQYLWDK-ZDUSSCGKSA-N 2 0 297.472 1.732 10 0 CDAERP C[C@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)[C@H]1CCC[NH2+]C1 ZINC000629556628 362994159 /nfs/dbraw/zinc/99/41/59/362994159.db2.gz VMAXQRAHOSYAEN-OBJOEFQTSA-N 2 0 265.401 1.118 10 0 CDAERP CCc1ccc(NC(=O)CN(C)CCOCC[NH2+]C)cc1 ZINC000629567054 363013691 /nfs/dbraw/zinc/01/36/91/363013691.db2.gz NARZKKWZQFGDMH-UHFFFAOYSA-N 2 0 293.411 1.355 10 0 CDAERP C[NH2+]CCOCCN(C)[C@@H](C)C(=O)N(C)c1ccccc1 ZINC000629566989 363013857 /nfs/dbraw/zinc/01/38/57/363013857.db2.gz LGRCIQBXLVYZSZ-AWEZNQCLSA-N 2 0 293.411 1.206 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1ccc2c(c1)CCC2 ZINC000629571413 363019797 /nfs/dbraw/zinc/01/97/97/363019797.db2.gz LKIBEVBBWSFLHG-UHFFFAOYSA-N 2 0 262.397 1.843 10 0 CDAERP C[NH+](C)CCOc1ccc(C[NH2+]CC2COC2)cc1 ZINC000623763039 351272400 /nfs/dbraw/zinc/27/24/00/351272400.db2.gz QDGSGBXJPLTFFC-UHFFFAOYSA-N 2 0 264.369 1.363 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1ccc(C)c(C)c1 ZINC000629571385 363025133 /nfs/dbraw/zinc/02/51/33/363025133.db2.gz UCIUHRDCCULXHO-UHFFFAOYSA-N 2 0 250.386 1.971 10 0 CDAERP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3C[C@H](C(N)=O)C3)CC2)C1 ZINC000624130751 351433067 /nfs/dbraw/zinc/43/30/67/351433067.db2.gz YONHWPKQFCTBQI-RRCSTGOVSA-N 2 0 293.455 1.883 10 0 CDAERP O[C@@H](CNC1CC([NH+]2CCCCC2)C1)C[NH+]1CCCC1 ZINC000629578984 363030022 /nfs/dbraw/zinc/03/00/22/363030022.db2.gz OHCPRBKSUBBEEK-GPANFISMSA-N 2 0 281.444 1.050 10 0 CDAERP C[N@@H+]1CCC[C@H]1CN[C@H]1CC[NH+](C)[C@H]2CCC[C@H]21 ZINC000624272111 351529340 /nfs/dbraw/zinc/52/93/40/351529340.db2.gz ZDYXUSTXOZYHOG-AJNGGQMLSA-N 2 0 251.418 1.543 10 0 CDAERP Cc1ccc(O)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)n1 ZINC000569846432 363139203 /nfs/dbraw/zinc/13/92/03/363139203.db2.gz STTIPVARVFEBTD-HNNXBMFYSA-N 2 0 261.369 1.671 10 0 CDAERP COC[C@H](C)C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629655829 363259157 /nfs/dbraw/zinc/25/91/57/363259157.db2.gz YVWPLYKMWVJOLI-VWYCJHECSA-N 2 0 268.323 1.728 10 0 CDAERP c1cc2c(cc1N[C@@H]1CC[C@H]3C[NH2+]C[C@H]3C1)OCC[NH2+]C2 ZINC000629665914 363304864 /nfs/dbraw/zinc/30/48/64/363304864.db2.gz YMWKFYUDJDNMHU-NWANDNLSSA-N 2 0 287.407 1.969 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333932432 295905653 /nfs/dbraw/zinc/90/56/53/295905653.db2.gz GUVDFDGTUOZKBZ-KBPBESRZSA-N 2 0 282.432 1.302 10 0 CDAERP CCC[NH+]1CCC([NH2+]C2CCC(C(N)=O)CC2)CC1 ZINC000037152231 356345878 /nfs/dbraw/zinc/34/58/78/356345878.db2.gz RQURJNCQLZIBHM-UHFFFAOYSA-N 2 0 267.417 1.495 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1)[NH+](C)C ZINC000636099082 363507454 /nfs/dbraw/zinc/50/74/54/363507454.db2.gz IBXVFEMWNDEDPM-XQQFMLRXSA-N 2 0 253.390 1.070 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634768150 358511192 /nfs/dbraw/zinc/51/11/92/358511192.db2.gz YGPKBOVPOGFYST-DZKIICNBSA-N 2 0 279.428 1.319 10 0 CDAERP C[C@@H]1[C@H]([NH2+]CC(=O)N2CC[NH2+]CC2)C[C@@H]1c1ccccc1 ZINC000564822736 357239464 /nfs/dbraw/zinc/23/94/64/357239464.db2.gz WIVYMDPRPXGFFB-CWRNSKLLSA-N 2 0 287.407 1.200 10 0 CDAERP CCn1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cn1 ZINC000367614636 357331554 /nfs/dbraw/zinc/33/15/54/357331554.db2.gz INVACTGHCVZQII-KFWWJZLASA-N 2 0 262.401 1.865 10 0 CDAERP Nc1nccc([C@H]2CCC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000582053266 357471126 /nfs/dbraw/zinc/47/11/26/357471126.db2.gz UACIJIDSIAVBJM-KBPBESRZSA-N 2 0 289.427 1.458 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000127243895 358229987 /nfs/dbraw/zinc/22/99/87/358229987.db2.gz OCZKHEPZUPOHHS-KFWWJZLASA-N 2 0 281.444 1.613 10 0 CDAERP CC[N@H+](CCF)CCCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001660601306 1172241763 /nfs/dbraw/zinc/24/17/63/1172241763.db2.gz LQRVDVYARIKRFF-GJZGRUSLSA-N 2 0 299.434 1.801 10 0 CDAERP C[NH2+][C@H](C)C(=O)Nc1cc(C[NH+](C)C)ccc1OC ZINC000054073372 358702038 /nfs/dbraw/zinc/70/20/38/358702038.db2.gz POQCTTLAEDSEJN-SNVBAGLBSA-N 2 0 265.357 1.303 10 0 CDAERP [NH3+]CCN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000095077597 358674914 /nfs/dbraw/zinc/67/49/14/358674914.db2.gz SGZXAVHHGBPINQ-UHFFFAOYSA-N 2 0 273.424 1.933 10 0 CDAERP C[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000335232401 359080405 /nfs/dbraw/zinc/08/04/05/359080405.db2.gz KRMNVCQIXRBGDJ-LSDHHAIUSA-N 2 0 293.455 1.757 10 0 CDAERP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCc1nnc2ccccn21 ZINC000057653165 359105209 /nfs/dbraw/zinc/10/52/09/359105209.db2.gz BAWRKQALHLTCPZ-UPJWGTAASA-N 2 0 273.384 1.548 10 0 CDAERP Fc1cccc(F)c1N1CC[C@H](N[C@@H]2CCC[NH2+]C2)C1 ZINC000335252968 359136326 /nfs/dbraw/zinc/13/63/26/359136326.db2.gz UKZIPSJINKEBEZ-NEPJUHHUSA-N 2 0 281.350 1.885 10 0 CDAERP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC000335148987 359449861 /nfs/dbraw/zinc/44/98/61/359449861.db2.gz MYUCIOBKCKLSFE-OAHLLOKOSA-N 2 0 281.444 1.517 10 0 CDAERP CCO[C@@H]1C[C@@H]([NH2+][C@H](CCC[NH3+])COC)C12CCC2 ZINC000422784217 359657590 /nfs/dbraw/zinc/65/75/90/359657590.db2.gz PHPDEBOPVQFNFX-MGPQQGTHSA-N 2 0 270.417 1.678 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccccc1N(C)C ZINC000422913220 359670895 /nfs/dbraw/zinc/67/08/95/359670895.db2.gz PMMGFRUIZYKYET-AWEZNQCLSA-N 2 0 265.401 1.596 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CCCO[C@@H]1C(C)C ZINC000422920284 359675864 /nfs/dbraw/zinc/67/58/64/359675864.db2.gz MEJAEVHHRRTCAD-QLFBSQMISA-N 2 0 272.433 1.781 10 0 CDAERP C[C@H]([NH2+]CCCOC[C@@H]1CCCO1)[C@H]1CC[NH2+]C1 ZINC000400347019 299294778 /nfs/dbraw/zinc/29/47/78/299294778.db2.gz HVYZZCUNIZQYDJ-IHRRRGAJSA-N 2 0 256.390 1.160 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](CO)c1ccccc1 ZINC000423003293 359733854 /nfs/dbraw/zinc/73/38/54/359733854.db2.gz HIIJEPKSUPWUSM-HRCADAONSA-N 2 0 262.397 1.870 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+]C[C@H](CO)c1ccccc1 ZINC000423007319 359737151 /nfs/dbraw/zinc/73/71/51/359737151.db2.gz QGBQHQCXAYSTKL-DZGCQCFKSA-N 2 0 250.386 1.870 10 0 CDAERP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)c2cn[nH]c2)CC[NH2+]CC1 ZINC000423008991 359738351 /nfs/dbraw/zinc/73/83/51/359738351.db2.gz BMGKBNMFOBROME-NWDGAFQWSA-N 2 0 294.399 1.382 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H](N[C@H](C)[C@H](C)[NH3+])[C@@H](C)C1 ZINC000423448920 359795055 /nfs/dbraw/zinc/79/50/55/359795055.db2.gz QUZKSDZEVNAMNO-XQLPTFJDSA-N 2 0 271.449 1.449 10 0 CDAERP C1C[C@H]([C@H]2CCCC[C@@H]2[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)CO1 ZINC000423460034 359798960 /nfs/dbraw/zinc/79/89/60/359798960.db2.gz SIEXPPSPZJSVKX-ZLCQRPCESA-N 2 0 250.386 1.389 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)[C@@H]2CCC[C@@H]21 ZINC000423488313 359817836 /nfs/dbraw/zinc/81/78/36/359817836.db2.gz VGOFZGVVPYYBMK-VGWMRTNUSA-N 3 0 265.445 1.981 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+]C[C@]2(C)CCCS2)CC1 ZINC000397561292 366572885 /nfs/dbraw/zinc/57/28/85/366572885.db2.gz RRMDQMHETZQPDM-LBPRGKRZSA-N 2 0 258.431 1.318 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)Cc2cc(C)n[nH]2)[C@H](C)C1 ZINC000090529040 360217252 /nfs/dbraw/zinc/21/72/52/360217252.db2.gz DNIQLQNKGIBCDC-TYNCELHUSA-N 2 0 264.417 1.969 10 0 CDAERP C[C@@H]1CN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)C[C@@]1(C)C[NH3+] ZINC000515300980 360470769 /nfs/dbraw/zinc/47/07/69/360470769.db2.gz ZUOMUJMPDZMFED-ISTRZQFTSA-N 2 0 287.407 1.317 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]CCNC(=O)c2ccccc2)[C@H](C)C1 ZINC000178020892 189086390 /nfs/dbraw/zinc/08/63/90/189086390.db2.gz RFJJPMBBHLABLI-ZBFHGGJFSA-N 2 0 289.423 1.736 10 0 CDAERP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H]2CC[C@@H]2C2CCC2)C1 ZINC000337986110 360603426 /nfs/dbraw/zinc/60/34/26/360603426.db2.gz HOKWMNODFIINQN-OAGGEKHMSA-N 2 0 293.455 1.742 10 0 CDAERP C[C@@]([NH3+])(C(=O)N1CCC2(CC[NH2+]2)CC1)c1ccccc1 ZINC000335632155 360610535 /nfs/dbraw/zinc/61/05/35/360610535.db2.gz SSGGNMQQPVRKPY-HNNXBMFYSA-N 2 0 273.380 1.215 10 0 CDAERP O[C@H](CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(F)(F)F ZINC000349331557 360839590 /nfs/dbraw/zinc/83/95/90/360839590.db2.gz LOOGYWKJPFFMNA-OUAUKWLOSA-N 2 0 266.307 1.516 10 0 CDAERP CC[NH+](CC)CCNC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000349779714 360943294 /nfs/dbraw/zinc/94/32/94/360943294.db2.gz UMDYQBUYVOYQDF-AWEZNQCLSA-N 2 0 282.432 1.206 10 0 CDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cccn2C)CC1 ZINC000179517805 189198670 /nfs/dbraw/zinc/19/86/70/189198670.db2.gz QISQRFXCCUFDSR-CQSZACIVSA-N 2 0 279.428 1.550 10 0 CDAERP CCCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001660859375 1172290474 /nfs/dbraw/zinc/29/04/74/1172290474.db2.gz LTKXXNLYTDLYEW-CQSZACIVSA-N 2 0 269.433 1.707 10 0 CDAERP CC[NH2+]CCCNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000572481429 361267815 /nfs/dbraw/zinc/26/78/15/361267815.db2.gz CFYKQHAHDJQKIY-CYBMUJFWSA-N 2 0 255.406 1.367 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H]2[NH2+]CC2(C)C)cc1 ZINC000644077142 363778781 /nfs/dbraw/zinc/77/87/81/363778781.db2.gz XQHDNRZOVSUCLX-GWCFXTLKSA-N 2 0 261.369 1.321 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000568649405 294077987 /nfs/dbraw/zinc/07/79/87/294077987.db2.gz FPKHEJQWOGTKPL-MGPQQGTHSA-N 2 0 267.417 1.127 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000352811148 363944945 /nfs/dbraw/zinc/94/49/45/363944945.db2.gz RNNHCIMIRHOGMI-AWEZNQCLSA-N 2 0 269.433 1.707 10 0 CDAERP CCC[C@@](C)([NH3+])C(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000373040162 364565713 /nfs/dbraw/zinc/56/57/13/364565713.db2.gz QBRZBDIKCQLXHR-GOEBONIOSA-N 2 0 281.444 1.981 10 0 CDAERP Cc1cnn(CC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000352921553 364641623 /nfs/dbraw/zinc/64/16/23/364641623.db2.gz JMJRLAOEESWRFF-YIONKMFJSA-N 2 0 262.401 1.749 10 0 CDAERP C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H]1c1ccccc1 ZINC000270664315 364697566 /nfs/dbraw/zinc/69/75/66/364697566.db2.gz OSVIPFDWEJDYKA-OAGGEKHMSA-N 2 0 287.407 1.642 10 0 CDAERP c1ncn(-c2ccccc2CN2CCC3(CC[NH2+]3)CC2)n1 ZINC000643427497 364814836 /nfs/dbraw/zinc/81/48/36/364814836.db2.gz RKEUWOCPSUAUDE-UHFFFAOYSA-N 2 0 283.379 1.595 10 0 CDAERP C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)CC[C@H]1CCCC[NH+]1C)C2 ZINC000412403557 240195136 /nfs/dbraw/zinc/19/51/36/240195136.db2.gz SRHGHUBQQDLUQZ-VIYLOZMYSA-N 2 0 293.455 1.992 10 0 CDAERP CCC(C)(C)NC(=O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000111611931 364958717 /nfs/dbraw/zinc/95/87/17/364958717.db2.gz RGRTZHLWUXMMIP-NSHDSACASA-N 2 0 255.406 1.350 10 0 CDAERP C[N@H+](CCCCNC(=O)N1CC[NH+]2CCC1CC2)C1CC1 ZINC000455607074 252399431 /nfs/dbraw/zinc/39/94/31/252399431.db2.gz ISPGMTOEPYDJOV-UHFFFAOYSA-N 2 0 294.443 1.350 10 0 CDAERP OC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC000169676865 365044907 /nfs/dbraw/zinc/04/49/07/365044907.db2.gz UMYNZFZEJVNNGG-HNNXBMFYSA-N 2 0 260.381 1.481 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)NCC[NH+]1CCSCC1 ZINC000353451814 365218617 /nfs/dbraw/zinc/21/86/17/365218617.db2.gz VCZVJLAYLZJINP-CQSZACIVSA-N 2 0 299.484 1.416 10 0 CDAERP CCn1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1=O ZINC000353603110 365328088 /nfs/dbraw/zinc/32/80/88/365328088.db2.gz FUZRGJBIPRQKSX-OAGGEKHMSA-N 2 0 289.423 1.831 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000626959904 366905234 /nfs/dbraw/zinc/90/52/34/366905234.db2.gz JGGUQTGWNFRTHT-ZFWWWQNUSA-N 2 0 296.459 1.548 10 0 CDAERP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)[C@@H]1C[C@H]1C ZINC000414115642 241072323 /nfs/dbraw/zinc/07/23/23/241072323.db2.gz NHHNVTODUPYIAM-RBSFLKMASA-N 2 0 253.434 1.648 10 0 CDAERP CCC(CC)[C@H](CN[C@H](C)[C@H]1CC[NH2+]C1)[NH+](C)C ZINC000400330255 366949474 /nfs/dbraw/zinc/94/94/74/366949474.db2.gz BRHIYPNFFVKMCU-SNPRPXQTSA-N 2 0 255.450 1.940 10 0 CDAERP CC(C)[C@H](CN[C@H](C)[C@@H]1CC[NH2+]C1)[NH+]1CCCC1 ZINC000400327042 366949823 /nfs/dbraw/zinc/94/98/23/366949823.db2.gz AQNGOIVSUKUHFW-KFWWJZLASA-N 2 0 253.434 1.694 10 0 CDAERP Cc1ccncc1C[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000279968476 367210808 /nfs/dbraw/zinc/21/08/08/367210808.db2.gz QAFBFTDEEFVNCO-HNNXBMFYSA-N 2 0 276.428 1.506 10 0 CDAERP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000220904514 367278521 /nfs/dbraw/zinc/27/85/21/367278521.db2.gz DHHKZOLSJKZVHQ-LXTVHRRPSA-N 2 0 279.428 1.317 10 0 CDAERP C[C@]1(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)CC[NH2+]C1 ZINC000261941873 291379993 /nfs/dbraw/zinc/37/99/93/291379993.db2.gz DUORBAUVCUXXPA-GJZGRUSLSA-N 3 0 251.418 1.450 10 0 CDAERP CCC(C)(C)NC(=O)CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000572523664 367308241 /nfs/dbraw/zinc/30/82/41/367308241.db2.gz JTLHHBGQZMEJGL-HNNXBMFYSA-N 2 0 267.417 1.367 10 0 CDAERP CCCC[NH+]1CCC([NH2+]C[C@@H](O)COC(C)C)CC1 ZINC000570710745 294294535 /nfs/dbraw/zinc/29/45/35/294294535.db2.gz JLIJNWJZJNSETK-OAHLLOKOSA-N 2 0 272.433 1.626 10 0 CDAERP C[C@H]1C[C@H]([NH2+]CCc2cnc(C3CC3)nc2)CC[N@@H+]1C ZINC000358229391 367526803 /nfs/dbraw/zinc/52/68/03/367526803.db2.gz QKTCEFSVPOCPEA-SWLSCSKDSA-N 2 0 274.412 1.969 10 0 CDAERP CC(C)[C@@H]([NH3+])CCN(C)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627126299 367503123 /nfs/dbraw/zinc/50/31/23/367503123.db2.gz PYNGFBZZOCHJRC-QWHCGFSZSA-N 2 0 282.432 1.286 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000627170274 367606731 /nfs/dbraw/zinc/60/67/31/367606731.db2.gz LMWUBYHWQTUXGA-LSDHHAIUSA-N 2 0 294.443 1.397 10 0 CDAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCCC[NH+]1CCCCC1 ZINC000416872566 242200505 /nfs/dbraw/zinc/20/05/05/242200505.db2.gz MAYKXRZZFZZHHI-KBPBESRZSA-N 2 0 282.432 1.160 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000417009910 242266550 /nfs/dbraw/zinc/26/65/50/242266550.db2.gz OADBPFJJYSWBAR-RDBSUJKOSA-N 2 0 284.448 1.486 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000417011928 242267944 /nfs/dbraw/zinc/26/79/44/242267944.db2.gz UMEQAKUGNMMCNO-UKRRQHHQSA-N 2 0 282.432 1.112 10 0 CDAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC000674054490 482932552 /nfs/dbraw/zinc/93/25/52/482932552.db2.gz RPVCCPOLPJWBHJ-KBPBESRZSA-N 2 0 282.432 1.064 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)NCCC[NH3+])c1ccc(F)cc1 ZINC000417158111 242340319 /nfs/dbraw/zinc/34/03/19/242340319.db2.gz AVIYHUIXWMUMNL-CYBMUJFWSA-N 2 0 282.363 1.076 10 0 CDAERP CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627202350 367696539 /nfs/dbraw/zinc/69/65/39/367696539.db2.gz IERFTSOQUAGVEF-KBPBESRZSA-N 2 0 284.448 1.500 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000414944530 370890258 /nfs/dbraw/zinc/89/02/58/370890258.db2.gz PZCHBTICUFPWPT-ZYHUDNBSSA-N 2 0 291.420 1.688 10 0 CDAERP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)CC2(O)CCC2)C1 ZINC000528400706 367826181 /nfs/dbraw/zinc/82/61/81/367826181.db2.gz QNDHHLZHKZDHCC-CABCVRRESA-N 2 0 284.444 1.316 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000627243136 367830227 /nfs/dbraw/zinc/83/02/27/367830227.db2.gz CAEPHGLVPBCLCR-BEUHCMRWSA-N 2 0 280.416 1.003 10 0 CDAERP [NH3+][C@H]1CC=C(C(=O)N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000638059401 367895280 /nfs/dbraw/zinc/89/52/80/367895280.db2.gz LNONBHWZMNFWLL-AWEZNQCLSA-N 2 0 277.412 1.511 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000538316063 368266634 /nfs/dbraw/zinc/26/66/34/368266634.db2.gz PRQRBSWQIHKXPU-HNNXBMFYSA-N 2 0 281.444 1.804 10 0 CDAERP C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@H]([NH3+])c2ccccc2)C1 ZINC000418406082 243037580 /nfs/dbraw/zinc/03/75/80/243037580.db2.gz BQUZEDMMBBOPHN-CABCVRRESA-N 2 0 290.411 1.422 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418407817 243039448 /nfs/dbraw/zinc/03/94/48/243039448.db2.gz MBWNSWYKGJDYBD-SOUVJXGZSA-N 2 0 290.411 1.503 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@@H](C)C[NH3+])cc1 ZINC000418471234 243117738 /nfs/dbraw/zinc/11/77/38/243117738.db2.gz VNUXAKLDTVPLEB-QWRGUYRKSA-N 2 0 264.373 1.100 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)C[C@@H]1C ZINC000418619882 243283295 /nfs/dbraw/zinc/28/32/95/243283295.db2.gz PQUANKIXAUCEML-ZQDZILKHSA-N 2 0 296.459 1.499 10 0 CDAERP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CCC1C[NH2+]C1 ZINC000638122295 368511623 /nfs/dbraw/zinc/51/16/23/368511623.db2.gz ONYVIKGDVMYKMY-GXTWGEPZSA-N 2 0 265.401 1.071 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000418712118 243364794 /nfs/dbraw/zinc/36/47/94/243364794.db2.gz WVXVXAOFLFMARV-CHWSQXEVSA-N 2 0 278.400 1.283 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)N(C)CCC[NH+](C)C)CC[N@@H+]1C ZINC000543674833 368946441 /nfs/dbraw/zinc/94/64/41/368946441.db2.gz LBEBCKWPDCNVKG-OLZOCXBDSA-N 2 0 270.421 1.062 10 0 CDAERP C[N@H+](CC[C@@H]1CC[NH2+]C1)[C@H]1CCN(c2ccccc2)C1=O ZINC000420310962 244064548 /nfs/dbraw/zinc/06/45/48/244064548.db2.gz VMLXTGXMMWMBAM-HOCLYGCPSA-N 2 0 287.407 1.723 10 0 CDAERP FC(F)COCC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420402108 244203253 /nfs/dbraw/zinc/20/32/53/244203253.db2.gz QEOWSYSJXFCALI-NWDGAFQWSA-N 2 0 262.344 1.732 10 0 CDAERP COCCN1CC[C@H]([NH2+]CC[C@H](O)c2ccccc2)C1 ZINC000289562063 369573006 /nfs/dbraw/zinc/57/30/06/369573006.db2.gz YRZYIRDNLBKROV-HOTGVXAUSA-N 2 0 278.396 1.420 10 0 CDAERP CCCN(CCC[NH+](C)C)C(=O)c1c[nH+]ccc1N(C)C ZINC000276460558 193340276 /nfs/dbraw/zinc/34/02/76/193340276.db2.gz XKVTUZMFQAUELZ-UHFFFAOYSA-N 2 0 292.427 1.952 10 0 CDAERP C[C@@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)[NH+]1CCC(C)CC1 ZINC000170834766 369698612 /nfs/dbraw/zinc/69/86/12/369698612.db2.gz LVDUMPIQALAIOD-LSDHHAIUSA-N 2 0 296.459 1.452 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000371230826 370219037 /nfs/dbraw/zinc/21/90/37/370219037.db2.gz NJLNUZBRFXBTSZ-HOTGVXAUSA-N 2 0 287.407 1.750 10 0 CDAERP CC(C)C1CCC([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CC1 ZINC000567605360 371061480 /nfs/dbraw/zinc/06/14/80/371061480.db2.gz PNBZTPFAWYAAMR-JCYILVPMSA-N 2 0 297.487 1.399 10 0 CDAERP CC[NH2+]Cc1ccccc1NC(=O)c1ccnc(C[NH3+])c1 ZINC000567667525 371087752 /nfs/dbraw/zinc/08/77/52/371087752.db2.gz XBQNUCXZBPSYCC-UHFFFAOYSA-N 2 0 284.363 1.902 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000422877942 245364152 /nfs/dbraw/zinc/36/41/52/245364152.db2.gz JANYCBDYDCJZGE-QXSJWSMHSA-N 2 0 285.476 1.696 10 0 CDAERP CCc1noc(CC)c1C[NH2+][C@@H](CCC[NH3+])COC ZINC000422867827 245355898 /nfs/dbraw/zinc/35/58/98/245355898.db2.gz TVGDRDCFSCDRNF-NSHDSACASA-N 2 0 269.389 1.643 10 0 CDAERP C[C@H](C[C@@H]1COCC[NH2+]1)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000422888720 245374099 /nfs/dbraw/zinc/37/40/99/245374099.db2.gz NPDMKAHDDOVIQW-KLHDSHLOSA-N 2 0 283.460 1.606 10 0 CDAERP C[C@@H](CNC(=O)N1CCC[N@@H+](C2CC2)CC1)[NH+](C)C1CC1 ZINC000171696500 372213278 /nfs/dbraw/zinc/21/32/78/372213278.db2.gz MHOUCYJLMAOMJZ-ZDUSSCGKSA-N 2 0 294.443 1.349 10 0 CDAERP C[NH+](C)CC1CCC([NH2+]Cc2ccc(CO)o2)CC1 ZINC000178669737 372202426 /nfs/dbraw/zinc/20/24/26/372202426.db2.gz LQQUQTXHLMUOIP-UHFFFAOYSA-N 2 0 266.385 1.982 10 0 CDAERP CC[NH+](CC)C[C@H]1CC[N@H+](CCC(=O)NC(C)C)C1 ZINC000174222315 372564604 /nfs/dbraw/zinc/56/46/04/372564604.db2.gz ZEYBOTDMWKCAHW-CQSZACIVSA-N 2 0 269.433 1.565 10 0 CDAERP COC(=O)[C@H]1CCC[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414695445 284331949 /nfs/dbraw/zinc/33/19/49/284331949.db2.gz URUBXGBCPLBGDE-AGIUHOORSA-N 2 0 254.374 1.260 10 0 CDAERP COC(=O)[C@H]1CSCCN(C[C@@H]([NH3+])CC(C)C)C1 ZINC000415144930 372862969 /nfs/dbraw/zinc/86/29/69/372862969.db2.gz VWZNZCZIHCADGT-NEPJUHHUSA-N 2 0 274.430 1.198 10 0 CDAERP [NH3+]CC12CCC(CC1)CN2C(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000581436489 373011602 /nfs/dbraw/zinc/01/16/02/373011602.db2.gz NBODWKPZLQBXEW-CRPOECCBSA-N 2 0 299.418 1.603 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)C1 ZINC000645685242 373236813 /nfs/dbraw/zinc/23/68/13/373236813.db2.gz WPJWRMSRJXOBIN-LSDHHAIUSA-N 2 0 289.423 1.923 10 0 CDAERP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccc(-n2cncn2)cc1 ZINC000423361316 245766943 /nfs/dbraw/zinc/76/69/43/245766943.db2.gz ADDODGGWRCJOBE-WWGRRREGSA-N 2 0 285.395 1.916 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1C ZINC000341184946 373397021 /nfs/dbraw/zinc/39/70/21/373397021.db2.gz SFLZYCODWDOIAG-VNHYZAJKSA-N 2 0 294.443 1.347 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000341317740 373540519 /nfs/dbraw/zinc/54/05/19/373540519.db2.gz KSWBKBFGKRBPOC-NFAWXSAZSA-N 2 0 296.459 1.499 10 0 CDAERP CCn1nc(C)c(C[N@H+](C)CC[C@@H]2CC[NH2+]C2)c1C ZINC000631834982 373739571 /nfs/dbraw/zinc/73/95/71/373739571.db2.gz JSTHKPXPVBKDIB-AWEZNQCLSA-N 2 0 264.417 1.951 10 0 CDAERP CCC[NH+]1CCC(C[NH2+]C[C@H](O)COC(C)C)CC1 ZINC000584465201 373826075 /nfs/dbraw/zinc/82/60/75/373826075.db2.gz XOCMELUXXRLZFJ-HNNXBMFYSA-N 2 0 272.433 1.484 10 0 CDAERP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000423746872 246022731 /nfs/dbraw/zinc/02/27/31/246022731.db2.gz PVPFARNHRMAYIE-GHMZBOCLSA-N 2 0 262.357 1.005 10 0 CDAERP [NH3+]CCN(Cc1ccccc1)C(=O)NCCC1(C[NH3+])CC1 ZINC000652231835 541924444 /nfs/dbraw/zinc/92/44/44/541924444.db2.gz IBQIGYWWJMGKAJ-UHFFFAOYSA-N 2 0 290.411 1.286 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000418584308 374416255 /nfs/dbraw/zinc/41/62/55/374416255.db2.gz XGUNKPIBRYJWPG-ZIAGYGMSSA-N 2 0 296.459 1.406 10 0 CDAERP C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCC[NH+]1CCCCC1 ZINC000125127485 374896850 /nfs/dbraw/zinc/89/68/50/374896850.db2.gz ZHVIITADOOWUQB-UONOGXRCSA-N 2 0 267.417 1.448 10 0 CDAERP CC(C)[C@H](C)[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000343116307 374929057 /nfs/dbraw/zinc/92/90/57/374929057.db2.gz HTZSLPHFNWFGGZ-ZDUSSCGKSA-N 2 0 281.444 1.706 10 0 CDAERP C[C@@H]1CC[C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)CS1 ZINC000655718747 412834304 /nfs/dbraw/zinc/83/43/04/412834304.db2.gz LYYJNLNKFNRVRK-KGLIPLIRSA-N 2 0 285.501 1.886 10 0 CDAERP Cc1cnc(C)nc1NCC[N@@H+]1CCc2ccccc2C1 ZINC000564101098 375752723 /nfs/dbraw/zinc/75/27/23/375752723.db2.gz XGDTYMAYOUEALC-UHFFFAOYSA-N 2 0 282.391 1.986 10 0 CDAERP C[N@H+]1C[C@@H]2C[NH+](C[C@H](O)CCc3ccccc3)C[C@@H]2C1 ZINC000193652881 375888738 /nfs/dbraw/zinc/88/87/38/375888738.db2.gz ZQCIDSSTRMYZQC-IXDOHACOSA-N 2 0 274.408 1.474 10 0 CDAERP O[C@H](CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1)C(F)F ZINC000631214887 376014007 /nfs/dbraw/zinc/01/40/07/376014007.db2.gz CHVPCTYQTVSOSK-GFCCVEGCSA-N 2 0 282.294 1.373 10 0 CDAERP COCc1ncc2c(n1)CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000631834914 376678850 /nfs/dbraw/zinc/67/88/50/376678850.db2.gz IFHWXSJPLFBZKQ-ZDUSSCGKSA-N 2 0 290.411 1.371 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)CC[C@H](C)[NH3+])CC1 ZINC000070317101 377033799 /nfs/dbraw/zinc/03/37/99/377033799.db2.gz BSOMRTZENJFLON-LBPRGKRZSA-N 2 0 255.406 1.447 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000417445588 377158832 /nfs/dbraw/zinc/15/88/32/377158832.db2.gz HPOXXTFCFCYTNA-OCCSQVGLSA-N 2 0 282.432 1.253 10 0 CDAERP COC(=O)[C@H](C)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000251103633 377558197 /nfs/dbraw/zinc/55/81/97/377558197.db2.gz NOQOHTHQWJKHIE-AGIUHOORSA-N 2 0 254.374 1.212 10 0 CDAERP CCC[C@@H](C(=O)NC[C@H](C)C[NH+]1CCCC1)[NH+](C)C ZINC000161663109 377745136 /nfs/dbraw/zinc/74/51/36/377745136.db2.gz BHIMLIZSCFLFCG-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)[NH2+]C1(CO)CC[NH+](C[C@@H]2CCO[C@H](C)C2)CC1 ZINC000572300703 377862299 /nfs/dbraw/zinc/86/22/99/377862299.db2.gz JHOGVTWSRNKGGF-HUUCEWRRSA-N 2 0 284.444 1.626 10 0 CDAERP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000261762776 377900134 /nfs/dbraw/zinc/90/01/34/377900134.db2.gz YAQGPOGHBLYFMA-YJNKXOJESA-N 2 0 279.428 1.365 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000657572766 412904079 /nfs/dbraw/zinc/90/40/79/412904079.db2.gz FPGWUIBXJWQGTP-BBWFWOEESA-N 3 0 296.503 1.475 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccncc1F ZINC000657573751 412906964 /nfs/dbraw/zinc/90/69/64/412906964.db2.gz SGDULBYXEVNCPV-ZDUSSCGKSA-N 2 0 282.407 1.582 10 0 CDAERP CC1(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)COC1 ZINC000657595370 412922905 /nfs/dbraw/zinc/92/29/05/412922905.db2.gz HHYAEEJYXIMHGN-MRXNPFEDSA-N 2 0 290.407 1.379 10 0 CDAERP CCN(CCC[NH+]1CCCC1)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000418580955 284892857 /nfs/dbraw/zinc/89/28/57/284892857.db2.gz UFHJLEFRKATXBC-GJZGRUSLSA-N 2 0 296.459 1.502 10 0 CDAERP CC(C)C[NH2+][C@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001662999879 1172625518 /nfs/dbraw/zinc/62/55/18/1172625518.db2.gz AERCGYWHDFMWOE-CYBMUJFWSA-N 2 0 267.417 1.223 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCC[C@@H](CC[NH3+])C2)C1 ZINC000655970783 412983165 /nfs/dbraw/zinc/98/31/65/412983165.db2.gz LVVHYZWBYHSBNY-MELADBBJSA-N 2 0 282.432 1.097 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCC(CC[NH3+])CC2)C1 ZINC000655971297 412984241 /nfs/dbraw/zinc/98/42/41/412984241.db2.gz ZLVGKLJUBCYODU-OKILXGFUSA-N 2 0 282.432 1.097 10 0 CDAERP CC[C@H]([NH2+]C)C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000662450075 413030809 /nfs/dbraw/zinc/03/08/09/413030809.db2.gz FQHUVJLIUSFXLP-UPJWGTAASA-N 2 0 255.406 1.364 10 0 CDAERP CC(C)CC[C@H](C)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000517088995 390150754 /nfs/dbraw/zinc/15/07/54/390150754.db2.gz CPORFTKRGRINGK-LSDHHAIUSA-N 2 0 271.449 1.009 10 0 CDAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](N[C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000358263838 390510338 /nfs/dbraw/zinc/51/03/38/390510338.db2.gz HOUMOIQGVSYEBN-QXSJWSMHSA-N 2 0 265.445 1.932 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000573932459 390664648 /nfs/dbraw/zinc/66/46/48/390664648.db2.gz LKAGQWOFNZVTEV-HZPDHXFCSA-N 2 0 293.455 1.805 10 0 CDAERP COc1ncncc1C[NH2+]C(C)(C)CCC[NH+](C)C ZINC000647215084 390879093 /nfs/dbraw/zinc/87/90/93/390879093.db2.gz GZIUHVMPKWCVHL-UHFFFAOYSA-N 2 0 266.389 1.695 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[NH2+]C23CCCC3)CC[NH2+]1 ZINC000648210003 390952652 /nfs/dbraw/zinc/95/26/52/390952652.db2.gz HKOFEEXVXSZCNQ-AVGNSLFASA-N 2 0 265.401 1.165 10 0 CDAERP O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000237964863 390894985 /nfs/dbraw/zinc/89/49/85/390894985.db2.gz GAGSARMQBBMTJU-REVZXKJASA-N 2 0 277.412 1.306 10 0 CDAERP CCn1nncc1C[NH2+]CCC1CC[NH+](CC)CC1 ZINC000417946863 391007747 /nfs/dbraw/zinc/00/77/47/391007747.db2.gz SLQGYSMPVZMOHU-UHFFFAOYSA-N 2 0 265.405 1.510 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000417755258 391036283 /nfs/dbraw/zinc/03/62/83/391036283.db2.gz XGAPNPJSQMOANM-AWEZNQCLSA-N 2 0 282.432 1.145 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCc1cn2c(cccc2C)n1 ZINC000647803816 391064459 /nfs/dbraw/zinc/06/44/59/391064459.db2.gz DESYCDQORKIUJJ-OAHLLOKOSA-N 2 0 290.411 1.529 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH2+]CC2(O)Cc3ccccc3C2)[C@@H](C)C1 ZINC000370620795 391092605 /nfs/dbraw/zinc/09/26/05/391092605.db2.gz XSISVFSFXPEXRH-WMLDXEAASA-N 2 0 288.435 1.836 10 0 CDAERP C[N@H+](CCCC1CC[NH2+]CC1)CC(=O)NC(C)(C)C ZINC000647873507 391118642 /nfs/dbraw/zinc/11/86/42/391118642.db2.gz SSPZDEJXVCBNKT-UHFFFAOYSA-N 2 0 269.433 1.613 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)C[C@H](C)O1 ZINC000648433411 391319214 /nfs/dbraw/zinc/31/92/14/391319214.db2.gz FQKAFYWEQAKARV-LXTVHRRPSA-N 2 0 270.417 1.379 10 0 CDAERP CC(C)[C@](C)(O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000186680725 391408345 /nfs/dbraw/zinc/40/83/45/391408345.db2.gz JTKXKQUGASKLIH-MRXNPFEDSA-N 2 0 284.444 1.438 10 0 CDAERP CCC(=O)N[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414689713 391344269 /nfs/dbraw/zinc/34/42/69/391344269.db2.gz GOGMGPUATVSBHR-MGPQQGTHSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000418031412 391346328 /nfs/dbraw/zinc/34/63/28/391346328.db2.gz TUUIOGYCDIUXNY-ZIAGYGMSSA-N 2 0 296.459 1.406 10 0 CDAERP [NH3+]C[C@H]1CC[C@H](CNC(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000418344739 391349785 /nfs/dbraw/zinc/34/97/85/391349785.db2.gz KUHQTESJAPJELF-RBSFLKMASA-N 2 0 296.459 1.440 10 0 CDAERP Cc1cnn(CC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647977771 391375084 /nfs/dbraw/zinc/37/50/84/391375084.db2.gz HLWFOJRSSLALIS-HZPDHXFCSA-N 2 0 276.428 1.903 10 0 CDAERP CCC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353528998 391394795 /nfs/dbraw/zinc/39/47/95/391394795.db2.gz OWUHRBMXMFYKIY-XGUBFFRZSA-N 2 0 254.418 2.000 10 0 CDAERP CC(C)[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353525264 391394937 /nfs/dbraw/zinc/39/49/37/391394937.db2.gz XLZNPGCGXKJMKE-APIJFGDWSA-N 2 0 254.418 1.856 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000335443354 391432537 /nfs/dbraw/zinc/43/25/37/391432537.db2.gz GXTSWOQPTCXVEB-HNNXBMFYSA-N 2 0 293.455 1.853 10 0 CDAERP CC(C)CC[NH+]1CCC(CNC(=O)N[C@H](C)[C@H](C)[NH3+])CC1 ZINC000417844588 391508138 /nfs/dbraw/zinc/50/81/38/391508138.db2.gz OASVQVNADOKNHR-UONOGXRCSA-N 2 0 298.475 1.779 10 0 CDAERP CN(C(=O)NC[C@]1(C)CCC[NH2+]C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000418534671 391517997 /nfs/dbraw/zinc/51/79/97/391517997.db2.gz GIWHCPFSEPURQF-GDBMZVCRSA-N 2 0 294.443 1.254 10 0 CDAERP CC(=O)CC[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000103481242 391521623 /nfs/dbraw/zinc/52/16/23/391521623.db2.gz PWTLVAULTAKZIK-GJZGRUSLSA-N 2 0 282.428 1.787 10 0 CDAERP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CC[C@H]1CCCOC1 ZINC000527924763 391549576 /nfs/dbraw/zinc/54/95/76/391549576.db2.gz HNZHNGGJRMVLBY-UMVBOHGHSA-N 2 0 252.402 1.875 10 0 CDAERP COc1cccnc1N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000528034579 391572380 /nfs/dbraw/zinc/57/23/80/391572380.db2.gz ZXNNLQYQNWRDLI-UHFFFAOYSA-N 2 0 291.395 1.781 10 0 CDAERP CC[NH+]1CCC([NH2+]CC(C)(C)C(=O)N2CCCC2)CC1 ZINC000528012304 391576869 /nfs/dbraw/zinc/57/68/69/391576869.db2.gz KHMODLDLVMKRPV-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CO[C@H](CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C(F)(F)F ZINC000647794718 391639844 /nfs/dbraw/zinc/63/98/44/391639844.db2.gz BPDBUNXLJMEXFD-NNYUYHANSA-N 2 0 280.334 1.932 10 0 CDAERP C[C@@H]1C[N@@H+](C2CCN(CCC[NH+]3CCCC3)CC2)CCO1 ZINC000161751505 391601585 /nfs/dbraw/zinc/60/15/85/391601585.db2.gz IEMCALWVGZMLFX-MRXNPFEDSA-N 2 0 295.471 1.657 10 0 CDAERP C(C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000161814976 391604464 /nfs/dbraw/zinc/60/44/64/391604464.db2.gz PAWNCHBXVUNTMM-QGZVFWFLSA-N 2 0 295.471 1.517 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[NH+](C2CC2)CC1 ZINC000061647197 391671968 /nfs/dbraw/zinc/67/19/68/391671968.db2.gz MRZSNSSTEVAOHQ-UHFFFAOYSA-N 2 0 253.390 1.023 10 0 CDAERP C[C@H](C[NH2+]C[C@H]1C[NH2+]CCCO1)Cc1ccccc1 ZINC000415028807 391729114 /nfs/dbraw/zinc/72/91/14/391729114.db2.gz AFMDFXAIJDBMSJ-GOEBONIOSA-N 2 0 262.397 1.833 10 0 CDAERP CCC[C@@H](C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)[NH+](C)C ZINC000179265194 391775187 /nfs/dbraw/zinc/77/51/87/391775187.db2.gz BEIMRHKIWOTAJD-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP CN1CC[NH+](CCCC[NH2+]C2CC(CF)(CF)C2)CC1 ZINC000657833765 413050535 /nfs/dbraw/zinc/05/05/35/413050535.db2.gz CGQZRFBALWAIPR-UHFFFAOYSA-N 2 0 289.414 1.691 10 0 CDAERP CC[NH2+]Cc1ccccc1NC(=O)COC1(C)C[NH2+]C1 ZINC000647664904 391831889 /nfs/dbraw/zinc/83/18/89/391831889.db2.gz VBBAPOKEYHXUHR-UHFFFAOYSA-N 2 0 277.368 1.113 10 0 CDAERP CC(C)[NH2+]CCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000248782320 391935501 /nfs/dbraw/zinc/93/55/01/391935501.db2.gz VMPSUPALZHVLDT-GOEBONIOSA-N 2 0 265.445 1.933 10 0 CDAERP COCC[N@@H+]1CCC[C@@H]1CN[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000246986139 391894056 /nfs/dbraw/zinc/89/40/56/391894056.db2.gz KJMNTEFLZBSVPR-QLFBSQMISA-N 2 0 269.433 1.170 10 0 CDAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H]2CCC[NH+]2C)C1 ZINC000247484238 391900337 /nfs/dbraw/zinc/90/03/37/391900337.db2.gz WKIRNSJCSTUJIK-HZSPNIEDSA-N 2 0 282.432 1.109 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)[C@@H](C)C1 ZINC000525107134 391948250 /nfs/dbraw/zinc/94/82/50/391948250.db2.gz MOOJVNVWKQCNCE-IHRRRGAJSA-N 2 0 267.417 1.127 10 0 CDAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)CCC(C)(C)[NH3+] ZINC000649302889 391951148 /nfs/dbraw/zinc/95/11/48/391951148.db2.gz BXBDXKYIWSFONI-HNNXBMFYSA-N 2 0 291.439 1.793 10 0 CDAERP C[C@]1(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CCC[NH2+]C1 ZINC000649319084 392012592 /nfs/dbraw/zinc/01/25/92/392012592.db2.gz GMCFYXAGUOJNOP-HNNXBMFYSA-N 2 0 285.351 1.596 10 0 CDAERP C[C@@]1(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CCC[NH2+]C1 ZINC000649319085 392012644 /nfs/dbraw/zinc/01/26/44/392012644.db2.gz GMCFYXAGUOJNOP-OAHLLOKOSA-N 2 0 285.351 1.596 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCN1CCO[C@H](Cn2cccn2)C1 ZINC000162981963 392017237 /nfs/dbraw/zinc/01/72/37/392017237.db2.gz STWJPBVYYQFAQZ-CABCVRRESA-N 2 0 278.400 1.068 10 0 CDAERP CC(C)[C@@H](C)[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000343116306 392092076 /nfs/dbraw/zinc/09/20/76/392092076.db2.gz HTZSLPHFNWFGGZ-CYBMUJFWSA-N 2 0 281.444 1.706 10 0 CDAERP C[NH+](C)Cc1ccnc(NC(=O)C[C@H]2CC[NH2+]C2)c1 ZINC000646157412 392110077 /nfs/dbraw/zinc/11/00/77/392110077.db2.gz WQFFEIMKRJCMQZ-LLVKDONJSA-N 2 0 262.357 1.081 10 0 CDAERP C1C[C@@H]2C[C@H]([NH2+][C@H]3CCO[C@@]4(CCOC4)C3)CC[N@@H+]2C1 ZINC000251080991 392233151 /nfs/dbraw/zinc/23/31/51/392233151.db2.gz HAIFCIPIARBADD-QXSJWSMHSA-N 2 0 280.412 1.541 10 0 CDAERP COCCN1CCC[C@@H]1C[NH2+][C@@H](C)c1cnccc1N ZINC000422712632 392252114 /nfs/dbraw/zinc/25/21/14/392252114.db2.gz OKFXWVWLURMQEF-QWHCGFSZSA-N 2 0 278.400 1.256 10 0 CDAERP Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000423018956 392277958 /nfs/dbraw/zinc/27/79/58/392277958.db2.gz SPJLKAPARPKHHK-UKRRQHHQSA-N 2 0 264.417 1.687 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cc1 ZINC000567907264 392289282 /nfs/dbraw/zinc/28/92/82/392289282.db2.gz RVIWJLRRDLIENV-AWEZNQCLSA-N 2 0 259.353 1.112 10 0 CDAERP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC[C@@H]1CCOC1 ZINC000423038972 392293445 /nfs/dbraw/zinc/29/34/45/392293445.db2.gz ZKCHNOCVLHTAOB-IMJJTQAJSA-N 2 0 262.397 1.961 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1COc2ccc(F)cc2C1 ZINC000423126382 392365143 /nfs/dbraw/zinc/36/51/43/392365143.db2.gz ROVMLMCZWZVBIH-KGLIPLIRSA-N 2 0 282.359 1.473 10 0 CDAERP COC[C@](C)(O)CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423145191 392383350 /nfs/dbraw/zinc/38/33/50/392383350.db2.gz JMZUGNVKBKBOAH-LJISPDSOSA-N 2 0 270.417 1.284 10 0 CDAERP CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000423140263 392379241 /nfs/dbraw/zinc/37/92/41/392379241.db2.gz MEKUBSVHZRTEGZ-FOGDFJRCSA-N 2 0 251.374 1.923 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC000568211013 392411853 /nfs/dbraw/zinc/41/18/53/392411853.db2.gz PAVGKZWFWAHMJF-STQMWFEESA-N 2 0 255.406 1.173 10 0 CDAERP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cnccc1N ZINC000423173678 392412636 /nfs/dbraw/zinc/41/26/36/392412636.db2.gz ZQVFBEQYTNQWSK-OLZOCXBDSA-N 2 0 262.401 1.877 10 0 CDAERP C(CN1CC[NH2+]CC1)[NH2+][C@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000423210139 392446351 /nfs/dbraw/zinc/44/63/51/392446351.db2.gz VXXGFSUIQADFGO-OAGGEKHMSA-N 2 0 281.444 1.077 10 0 CDAERP [NH3+][C@H]1CCCCCC[C@H]1C(=O)NCC[N@H+]1CC=CCC1 ZINC000646557810 392559735 /nfs/dbraw/zinc/55/97/35/392559735.db2.gz XBUVOCLIOGURQJ-CABCVRRESA-N 2 0 279.428 1.662 10 0 CDAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H](C)Cn1cncn1 ZINC000517017685 392813680 /nfs/dbraw/zinc/81/36/80/392813680.db2.gz ZGTXETDKTYBSNV-MGPQQGTHSA-N 2 0 265.405 1.567 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)NC[C@H](C)[NH+](C)C)CC1 ZINC000459034409 392884438 /nfs/dbraw/zinc/88/44/38/392884438.db2.gz CYMJLGGOTNQDJE-AWEZNQCLSA-N 2 0 298.475 1.700 10 0 CDAERP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCC(=O)NC2(C)C)C1 ZINC000494924063 393131751 /nfs/dbraw/zinc/13/17/51/393131751.db2.gz OWNOXXFQHNTVQC-STQMWFEESA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCO)C[C@H]1C ZINC000452116208 393473054 /nfs/dbraw/zinc/47/30/54/393473054.db2.gz BYWQFQRJXSNWSY-CVEARBPZSA-N 2 0 283.460 1.248 10 0 CDAERP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCSCC1 ZINC000657878816 413068575 /nfs/dbraw/zinc/06/85/75/413068575.db2.gz HUANDHJFZINFFJ-UONOGXRCSA-N 2 0 271.474 1.498 10 0 CDAERP C[C@@H](CC[NH3+])CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000079193132 134490460 /nfs/dbraw/zinc/49/04/60/134490460.db2.gz OOGCRKNHUHTMQY-CQSZACIVSA-N 2 0 277.416 1.364 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@H](CN(C)C)c1ccccc1 ZINC000234752893 140231390 /nfs/dbraw/zinc/23/13/90/140231390.db2.gz DBVFRUPUQJXQDD-HZPDHXFCSA-N 2 0 279.428 1.633 10 0 CDAERP CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000246986226 140285546 /nfs/dbraw/zinc/28/55/46/140285546.db2.gz JYKXURQSPGIWJP-GUTXKFCHSA-N 2 0 292.427 1.959 10 0 CDAERP Cc1nccn1C[C@H]1CCC[N@@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000261703568 140377212 /nfs/dbraw/zinc/37/72/12/140377212.db2.gz CSIPITANKVNFPA-CABCVRRESA-N 2 0 262.401 1.656 10 0 CDAERP c1csc(C[N@H+]2CCC[C@@H](CNC3=[NH+]CCCN3)C2)c1 ZINC000261734751 140382837 /nfs/dbraw/zinc/38/28/37/140382837.db2.gz HQYZNZZKHQZBIS-ZDUSSCGKSA-N 2 0 292.452 1.899 10 0 CDAERP C[C@@H]([NH3+])CC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000261761537 140385637 /nfs/dbraw/zinc/38/56/37/140385637.db2.gz IBCYSYJQCDUOAW-SNVBAGLBSA-N 2 0 267.348 1.241 10 0 CDAERP C[C@H]([NH3+])CC(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000261838161 140396948 /nfs/dbraw/zinc/39/69/48/140396948.db2.gz KLLABOPVGYJVIG-JTQLQIEISA-N 2 0 267.348 1.241 10 0 CDAERP CC(C)[NH2+]CC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000662533460 413105551 /nfs/dbraw/zinc/10/55/51/413105551.db2.gz QAAPFUAKBRPLBU-UHFFFAOYSA-N 2 0 253.390 1.118 10 0 CDAERP O=C(c1cccc2c1C[NH2+]C2)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000662569036 413137376 /nfs/dbraw/zinc/13/73/76/413137376.db2.gz VPXGQZSVXAAXMW-BETUJISGSA-N 2 0 285.391 1.361 10 0 CDAERP COCC1(C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)CCC1 ZINC000388883448 397806400 /nfs/dbraw/zinc/80/64/00/397806400.db2.gz DUPGBHOVIHPYQS-CQSZACIVSA-N 2 0 270.417 1.240 10 0 CDAERP FC1(F)CCCC[C@@H]1C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000381603788 397744595 /nfs/dbraw/zinc/74/45/95/397744595.db2.gz NRBNHFAMUDUGNR-ZIAGYGMSSA-N 2 0 287.398 1.791 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1CCC[NH+](C)CC1 ZINC000651191278 397869110 /nfs/dbraw/zinc/86/91/10/397869110.db2.gz SQHYLXOVBHZXEM-UHFFFAOYSA-N 2 0 284.448 1.311 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)C1CCC([NH3+])CC1 ZINC000037623208 398096880 /nfs/dbraw/zinc/09/68/80/398096880.db2.gz KNQJXBVINXZHSH-WXRRBKDZSA-N 2 0 253.390 1.104 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)C1CCC([NH3+])CC1 ZINC000037626577 398097258 /nfs/dbraw/zinc/09/72/58/398097258.db2.gz IVOOZAXWTUSOSQ-HSBZDZAISA-N 2 0 267.417 1.495 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000658106253 413206271 /nfs/dbraw/zinc/20/62/71/413206271.db2.gz HCAQPTIZFVKSAV-LXTVHRRPSA-N 2 0 255.450 1.893 10 0 CDAERP CC1(C)[C@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)[C@H]2CCCO[C@@H]21 ZINC000181559282 148209163 /nfs/dbraw/zinc/20/91/63/148209163.db2.gz NABZQGWMPRKQPX-JJXSEGSLSA-N 2 0 296.455 1.626 10 0 CDAERP C[C@H](C(=O)N(CC[NH+](C)C)c1ccccc1)C1C[NH2+]C1 ZINC000262401269 149058302 /nfs/dbraw/zinc/05/83/02/149058302.db2.gz PPGYTARWEVPBHM-ZDUSSCGKSA-N 2 0 275.396 1.437 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)CC[NH2+]1 ZINC000262422639 149061562 /nfs/dbraw/zinc/06/15/62/149061562.db2.gz RZWKGNYIOSLTBZ-NOLJZWGESA-N 2 0 287.407 1.378 10 0 CDAERP CCC[C@](C)([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000262655707 149090661 /nfs/dbraw/zinc/09/06/61/149090661.db2.gz CRSXUDFJRPTCQK-OBJOEFQTSA-N 2 0 255.406 1.445 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCC2([NH3+])CCCCCC2)CC[NH2+]1 ZINC000335723423 150962189 /nfs/dbraw/zinc/96/21/89/150962189.db2.gz VYQZGEILVAJKMZ-STQMWFEESA-N 2 0 267.417 1.542 10 0 CDAERP Cc1cccnc1C[NH2+]CCN(C)C(=O)C[N@@H+](C)C(C)C ZINC001664395275 1172849566 /nfs/dbraw/zinc/84/95/66/1172849566.db2.gz NXKBRFKJEAISAO-UHFFFAOYSA-N 2 0 292.427 1.278 10 0 CDAERP C[NH2+]C1CCN(C(=O)[C@H]([NH3+])c2ccc(C)cc2)CC1 ZINC000336112902 151279018 /nfs/dbraw/zinc/27/90/18/151279018.db2.gz MVLGXUJXHXZJEM-CQSZACIVSA-N 2 0 261.369 1.205 10 0 CDAERP CCO[C@@H]1C[C@@H]([NH2+][C@@H](CCC[NH3+])COC)C12CCC2 ZINC000422784201 286288816 /nfs/dbraw/zinc/28/88/16/286288816.db2.gz PHPDEBOPVQFNFX-BFHYXJOUSA-N 2 0 270.417 1.678 10 0 CDAERP C[C@@H](c1nncn1C)N1CCC(c2ncc[nH]2)CC1 ZINC000347053090 153394502 /nfs/dbraw/zinc/39/45/02/153394502.db2.gz MDMUFJXJXGRXMT-JTQLQIEISA-N 2 0 260.345 1.479 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CC(OC)C2)[C@H](C)C1 ZINC000349725290 154197358 /nfs/dbraw/zinc/19/73/58/154197358.db2.gz WXPXJULHUXGXBV-LMPOIIKSSA-N 2 0 284.444 1.890 10 0 CDAERP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1([NH2+]C2CC2)CCC1 ZINC000662681405 413303636 /nfs/dbraw/zinc/30/36/36/413303636.db2.gz GOKDKQGAQHHBEB-KGLIPLIRSA-N 2 0 277.412 1.404 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)CC2CC2)[C@@H]2CCC[C@H]21 ZINC000658256568 413316553 /nfs/dbraw/zinc/31/65/53/413316553.db2.gz XHUCOGQSKRRRRI-FXUDXRNXSA-N 2 0 266.429 1.857 10 0 CDAERP CC(C)n1nccc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000353935616 156169632 /nfs/dbraw/zinc/16/96/32/156169632.db2.gz XFJGICBVUAPNSM-UHFFFAOYSA-N 2 0 280.416 1.666 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662699452 413339839 /nfs/dbraw/zinc/33/98/39/413339839.db2.gz AMUGGLUXHXVRBR-AWEZNQCLSA-N 2 0 293.455 1.898 10 0 CDAERP CC1(C)CC[NH2+][C@@H]1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000662712089 413363256 /nfs/dbraw/zinc/36/32/56/413363256.db2.gz QWATZPCUDQSDNC-CYBMUJFWSA-N 2 0 285.351 1.594 10 0 CDAERP C[C@H](CNC(=O)C1([NH2+]C2CC2)CCC1)[N@H+](C)C1CC1 ZINC000662714300 413368031 /nfs/dbraw/zinc/36/80/31/413368031.db2.gz YVFYQEPXQGCHSN-LLVKDONJSA-N 2 0 265.401 1.260 10 0 CDAERP CC(C)[C@H](O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000373000898 160164718 /nfs/dbraw/zinc/16/47/18/160164718.db2.gz ODGKRKNSATWBCG-OAHLLOKOSA-N 2 0 270.417 1.048 10 0 CDAERP O=C(c1cccc2c1C[NH2+]C2)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000662755909 413436942 /nfs/dbraw/zinc/43/69/42/413436942.db2.gz DJIKYQKIQLSCAT-ZDUSSCGKSA-N 2 0 271.364 1.256 10 0 CDAERP [NH3+]C[C@H](c1ccc(F)cc1)N1CC[NH+](CC2CC2)CC1 ZINC000020179524 171044123 /nfs/dbraw/zinc/04/41/23/171044123.db2.gz MDPAQGKFYJEGOB-MRXNPFEDSA-N 2 0 277.387 1.853 10 0 CDAERP COc1ccc([C@H](C[NH3+])N(C)C2CC[NH+](C)CC2)cc1 ZINC000022175354 171370539 /nfs/dbraw/zinc/37/05/39/171370539.db2.gz DVEVSSIFGSWDLL-INIZCTEOSA-N 2 0 277.412 1.721 10 0 CDAERP [NH3+]Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2CCO)cc1 ZINC000022209789 171373013 /nfs/dbraw/zinc/37/30/13/171373013.db2.gz FHJZFJRCBWWXKP-OAHLLOKOSA-N 2 0 291.395 1.321 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000653213978 412141714 /nfs/dbraw/zinc/14/17/14/412141714.db2.gz BBBWIWSRCFFIJF-FZMZJTMJSA-N 2 0 261.369 1.020 10 0 CDAERP [NH3+]C1(CNC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)CCCCCC1 ZINC000655412977 412189429 /nfs/dbraw/zinc/18/94/29/412189429.db2.gz GCRODFFOYZUVOZ-UKRRQHHQSA-N 2 0 279.428 1.544 10 0 CDAERP CC1(C)C[NH2+][C@H]1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659347341 413738399 /nfs/dbraw/zinc/73/83/99/413738399.db2.gz CSEGNDCFKBGCAK-KFWWJZLASA-N 2 0 287.407 1.246 10 0 CDAERP C[NH+](C)CC[C@@H](NC(=O)NCC12CC(C1)C[NH2+]2)C(C)(C)C ZINC000659456628 413842743 /nfs/dbraw/zinc/84/27/43/413842743.db2.gz PPELDMTVKBJGPH-MFOWVQHXSA-N 2 0 296.459 1.404 10 0 CDAERP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cnc(C(F)(F)F)nc1 ZINC000665234524 413957353 /nfs/dbraw/zinc/95/73/53/413957353.db2.gz FDNAHDLUXCWOJF-ZJUUUORDSA-N 2 0 274.290 1.712 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NC(C)(C)CCC[NH+](C)C ZINC000659618369 414026763 /nfs/dbraw/zinc/02/67/63/414026763.db2.gz GZDUWGIAKVEHJY-CYBMUJFWSA-N 2 0 286.464 1.779 10 0 CDAERP CC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]C2CCC(O)CC2)C1 ZINC000037209792 173031157 /nfs/dbraw/zinc/03/11/57/173031157.db2.gz OLJWUSQXQSSXAN-DNDYEEKYSA-N 2 0 254.418 2.000 10 0 CDAERP CCc1ccc(C[NH2+]CCN2CC[NH+](C)CC2)cc1 ZINC000037496763 173235618 /nfs/dbraw/zinc/23/56/18/173235618.db2.gz WHLVGRVIHFHROW-UHFFFAOYSA-N 2 0 261.413 1.586 10 0 CDAERP CC[C@@H]1C[N@H+](CC)CCN1C(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000655132161 414085278 /nfs/dbraw/zinc/08/52/78/414085278.db2.gz ATCBSFPIKBVUDU-ZIAGYGMSSA-N 2 0 282.432 1.206 10 0 CDAERP c1nn2c(c1C[NH2+]CCc1cn3ccccc3n1)CCC2 ZINC000657302490 414141802 /nfs/dbraw/zinc/14/18/02/414141802.db2.gz SMIGLWSGCCXGJA-UHFFFAOYSA-N 2 0 281.363 1.809 10 0 CDAERP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cc2n(n1)CCC2 ZINC000657356012 414224556 /nfs/dbraw/zinc/22/45/56/414224556.db2.gz DXISXXSZIUORPT-MRXNPFEDSA-N 2 0 292.427 1.156 10 0 CDAERP C[C@H](N[C@H]1CCNC1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000663457362 414267007 /nfs/dbraw/zinc/26/70/07/414267007.db2.gz JUHYIWXEBFILGK-IMJJTQAJSA-N 2 0 287.407 1.375 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H](NCc2nc3c(s2)C[NH2+]CC3)C1 ZINC000663497206 414298568 /nfs/dbraw/zinc/29/85/68/414298568.db2.gz LQHNYRNUKPUABJ-NXEZZACHSA-N 2 0 266.414 1.148 10 0 CDAERP c1cc([C@@H]2C[NH2+]CCO2)ccc1NC[C@]12C[C@H]1C[NH2+]C2 ZINC000663500787 414300724 /nfs/dbraw/zinc/30/07/24/414300724.db2.gz OFJSSKARNIFSRL-CWRNSKLLSA-N 2 0 273.380 1.369 10 0 CDAERP CC1CC[NH+](CCCNC(=O)N(C)CC2C[NH+](C)C2)CC1 ZINC000663503166 414306793 /nfs/dbraw/zinc/30/67/93/414306793.db2.gz FXCBSQFSVDFZRH-UHFFFAOYSA-N 2 0 296.459 1.311 10 0 CDAERP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@]2(O)CCCOC2)C1 ZINC000659975552 414311584 /nfs/dbraw/zinc/31/15/84/414311584.db2.gz XFNAYYLRAQWYKN-HZPDHXFCSA-N 2 0 282.428 1.192 10 0 CDAERP COC[C@@](C)(O)CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657477510 414376617 /nfs/dbraw/zinc/37/66/17/414376617.db2.gz OFKGZEDCKJOLSS-HNNXBMFYSA-N 2 0 290.367 1.144 10 0 CDAERP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)C1CCC(F)CC1 ZINC000661998631 414466318 /nfs/dbraw/zinc/46/63/18/414466318.db2.gz LIZHXJMWSHZQTE-RYSNWHEDSA-N 2 0 260.397 1.805 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000661841731 414398336 /nfs/dbraw/zinc/39/83/36/414398336.db2.gz SKIMRTHKQLVIRQ-HZSPNIEDSA-N 2 0 252.402 1.754 10 0 CDAERP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000662116284 414517713 /nfs/dbraw/zinc/51/77/13/414517713.db2.gz ZCCHCRFGBLHXGB-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CC[NH+](CC)CCCN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662152177 414539266 /nfs/dbraw/zinc/53/92/66/414539266.db2.gz QFMQLBYBHYVQKC-INIZCTEOSA-N 2 0 283.460 1.249 10 0 CDAERP [NH3+]C[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)CC12CCOCC2 ZINC000662273223 414604712 /nfs/dbraw/zinc/60/47/12/414604712.db2.gz KQGOHWAOUBWGFB-NEPJUHHUSA-N 2 0 290.354 1.098 10 0 CDAERP C(CC1CC[NH2+]CC1)C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662315220 414634224 /nfs/dbraw/zinc/63/42/24/414634224.db2.gz CSKPBHXEBAEHLQ-CABCVRRESA-N 2 0 252.402 1.735 10 0 CDAERP C[C@H](CNC(=O)[C@@](C)([NH3+])C1CC1)[NH+]1CCCCC1 ZINC000038029409 174020698 /nfs/dbraw/zinc/02/06/98/174020698.db2.gz FBGAQPUSOJYVCY-RISCZKNCSA-N 2 0 253.390 1.104 10 0 CDAERP C[C@@]12COC[C@@H]1C[N@H+](CCCC1CC[NH2+]CC1)C2 ZINC000662311616 414631296 /nfs/dbraw/zinc/63/12/96/414631296.db2.gz UXTCRTBBKOQMAQ-LSDHHAIUSA-N 2 0 252.402 1.735 10 0 CDAERP C[C@H](c1ccco1)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508150 174303388 /nfs/dbraw/zinc/30/33/88/174303388.db2.gz HOMULDFQJGPBAA-CHWSQXEVSA-N 2 0 277.368 1.237 10 0 CDAERP CO[C@H]1C[NH2+][C@@H](C(=O)Nc2ccc(C[NH+](C)C)cc2)C1 ZINC000040633541 174360092 /nfs/dbraw/zinc/36/00/92/174360092.db2.gz PVRVCYSZDDKUFG-ZIAGYGMSSA-N 2 0 277.368 1.064 10 0 CDAERP COc1ccc(CN2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1O ZINC000040749270 174393789 /nfs/dbraw/zinc/39/37/89/174393789.db2.gz AJGQXCZAIDHNEK-YHWZYXNKSA-N 2 0 262.353 1.855 10 0 CDAERP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000040807198 174410543 /nfs/dbraw/zinc/41/05/43/174410543.db2.gz DUQXBKHPRUTSLJ-AGIUHOORSA-N 2 0 267.417 1.364 10 0 CDAERP CC(C)[C@H](CNC(=O)[C@H]1CCCC[NH2+]1)[NH+]1CCCC1 ZINC000040831069 174412471 /nfs/dbraw/zinc/41/24/71/174412471.db2.gz IHROJMLLYSOMSA-KGLIPLIRSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)C[C@@H](CNC(=O)CCC[NH2+]C(C)C)[NH+](C)C ZINC000040831380 174413419 /nfs/dbraw/zinc/41/34/19/174413419.db2.gz TZMHAFCJAFZSAM-AWEZNQCLSA-N 2 0 271.449 1.857 10 0 CDAERP C(CN1CCC([NH+]2CCCCC2)CC1)[NH2+]C1CC1 ZINC000042371243 174701799 /nfs/dbraw/zinc/70/17/99/174701799.db2.gz QVHZCIMGWCZFIV-UHFFFAOYSA-N 2 0 251.418 1.689 10 0 CDAERP CC[C@@H]([NH3+])[C@H](c1ccncc1)N(C)C1CC[NH+](C)CC1 ZINC000043353030 175020459 /nfs/dbraw/zinc/02/04/59/175020459.db2.gz FJVATYDOQJAOMZ-CVEARBPZSA-N 2 0 276.428 1.886 10 0 CDAERP C[NH2+][C@@H](CN1CCC[N@H+](C)CC1)c1ccc2c(c1)OCO2 ZINC000043818126 175113244 /nfs/dbraw/zinc/11/32/44/175113244.db2.gz MYZUYHTZAMPLCP-AWEZNQCLSA-N 2 0 291.395 1.313 10 0 CDAERP CC[C@@H]1CC[C@H]([NH2+]C)[C@H](N2CCC[N@H+](C)CC2)C1 ZINC000043818085 175113377 /nfs/dbraw/zinc/11/33/77/175113377.db2.gz KXLIQFDBZPBIDT-QLFBSQMISA-N 2 0 253.434 1.791 10 0 CDAERP CCC[NH2+][C@H]1CCC[C@@H]1N1CC[NH+](C(C)C)CC1 ZINC000043897171 175119926 /nfs/dbraw/zinc/11/99/26/175119926.db2.gz GQVIKENNCNZUBL-GJZGRUSLSA-N 2 0 253.434 1.933 10 0 CDAERP C[NH2+][C@@H]1CCOC[C@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000043907779 175123501 /nfs/dbraw/zinc/12/35/01/175123501.db2.gz DJSCRPAOXNIBPP-HZPDHXFCSA-N 2 0 281.444 1.314 10 0 CDAERP C[NH2+][C@H]1CCCC[C@H]1N1CC[NH+](CC2CC2)CC1 ZINC000043967885 175129344 /nfs/dbraw/zinc/12/93/44/175129344.db2.gz RSVNFKVCJDDEGM-LSDHHAIUSA-N 2 0 251.418 1.545 10 0 CDAERP CC[NH2+][C@H](CC)[C@@H](C)N(CCOC)[C@@H](C)COC ZINC000043975867 175132940 /nfs/dbraw/zinc/13/29/40/175132940.db2.gz NRVWQCNLXOJCIV-BFHYXJOUSA-N 2 0 260.422 1.746 10 0 CDAERP CN(C(=O)C[NH+]1CCC(C[NH3+])CC1)C1=CCCC1 ZINC000044513452 175188925 /nfs/dbraw/zinc/18/89/25/175188925.db2.gz PUBYDULSXHPIGL-UHFFFAOYSA-N 2 0 251.374 1.183 10 0 CDAERP C[C@@]1(c2ccccc2)OC[C@H](C[NH+]2CCC(C[NH3+])CC2)O1 ZINC000044514105 175189250 /nfs/dbraw/zinc/18/92/50/175189250.db2.gz MBDAZJZAMJPIDZ-DLBZAZTESA-N 2 0 290.407 1.945 10 0 CDAERP [NH3+]Cc1ccc(NC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044680872 175229369 /nfs/dbraw/zinc/22/93/69/175229369.db2.gz NAXHYJPEXWYEIM-ZDUSSCGKSA-N 2 0 274.368 1.504 10 0 CDAERP [NH3+]CC1(C(=O)N2CC[NH+](CC3CC3)CC2)CCCCC1 ZINC000044763410 175247516 /nfs/dbraw/zinc/24/75/16/175247516.db2.gz JAMNZQPJFFVXPA-UHFFFAOYSA-N 2 0 279.428 1.450 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@@H](C[NH3+])Cc1ccccc1 ZINC000044806051 175256479 /nfs/dbraw/zinc/25/64/79/175256479.db2.gz SMSLDNMAHJUHIG-HZPDHXFCSA-N 2 0 291.439 1.506 10 0 CDAERP C[C@@H](C[NH+]1CCCC1)NC(=O)[C@H](C[NH3+])Cc1ccccc1 ZINC000044805797 175256663 /nfs/dbraw/zinc/25/66/63/175256663.db2.gz QWLROWNLMWBCRI-HOCLYGCPSA-N 2 0 289.423 1.405 10 0 CDAERP CCC[C@@H](C[NH3+])C(=O)NCC1CC[NH+](CC)CC1 ZINC000044808402 175257091 /nfs/dbraw/zinc/25/70/91/175257091.db2.gz PCQNMUDUHXOTJY-ZDUSSCGKSA-N 2 0 255.406 1.210 10 0 CDAERP [NH3+]C[C@@H](Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044808507 175257755 /nfs/dbraw/zinc/25/77/55/175257755.db2.gz HDYSMUDDEPDQON-CABCVRRESA-N 2 0 287.407 1.157 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](C[NH2+]CCCn2ccnc2)C1 ZINC000045134650 175312432 /nfs/dbraw/zinc/31/24/32/175312432.db2.gz XJKKBBZETHDHJU-CQSZACIVSA-N 2 0 250.390 1.593 10 0 CDAERP CCC[NH2+][C@@](C)(CC[NH+]1CCC(C[NH+](C)C)CC1)C(=O)[O-] ZINC000045277074 175346351 /nfs/dbraw/zinc/34/63/51/175346351.db2.gz KGGBSVGIZHLAHX-INIZCTEOSA-N 2 0 299.459 1.493 10 0 CDAERP C[NH2+][C@](C)(CCC[NH+]1CCCCCCC1)C(N)=O ZINC000045371579 175364031 /nfs/dbraw/zinc/36/40/31/175364031.db2.gz PLTYTBQPDYGTJH-CQSZACIVSA-N 2 0 255.406 1.496 10 0 CDAERP CCC[NH2+][C@](C)(CCC[N@@H+]1CCCC[C@@H]1C)C(N)=O ZINC000045376164 175366313 /nfs/dbraw/zinc/36/63/13/175366313.db2.gz PPPHEZHHCBWROO-DZGCQCFKSA-N 2 0 269.433 1.885 10 0 CDAERP C[C@@]([NH3+])(CCCC[N@@H+]1CCc2ccccc2C1)C(N)=O ZINC000045378760 175368118 /nfs/dbraw/zinc/36/81/18/175368118.db2.gz FODKWZGZELFTNR-MRXNPFEDSA-N 2 0 275.396 1.418 10 0 CDAERP CCC[NH2+][C@](C)(CCC[N@H+](C)[C@@H](C)C(C)C)C(N)=O ZINC000045392173 175375602 /nfs/dbraw/zinc/37/56/02/175375602.db2.gz WIRCIPVUIVZJAL-DZGCQCFKSA-N 2 0 271.449 1.987 10 0 CDAERP CCOC(=O)[C@@](C)([NH3+])CCCN1CC[NH+](C(C)C)CC1 ZINC000045393886 175376327 /nfs/dbraw/zinc/37/63/27/175376327.db2.gz RDUHKSHNDKFKON-HNNXBMFYSA-N 2 0 285.432 1.073 10 0 CDAERP CC[NH2+][C@@](C)(CCCC[N@H+](C)C1CCOCC1)C(N)=O ZINC000045394945 175376492 /nfs/dbraw/zinc/37/64/92/175376492.db2.gz LODGPSFQVAWGMD-HNNXBMFYSA-N 2 0 285.432 1.121 10 0 CDAERP CC[N@H+](CCC[C@](C)([NH3+])C(=O)OC)C[C@@H]1CCCO1 ZINC000045421647 175379818 /nfs/dbraw/zinc/37/98/18/175379818.db2.gz DZOFGVAXHNGKBI-JSGCOSHPSA-N 2 0 272.389 1.158 10 0 CDAERP CC(C)[C@@H]1C[C@H]([NH2+]CCN2CC[NH+](C)CC2)CCO1 ZINC000070357286 175888425 /nfs/dbraw/zinc/88/84/25/175888425.db2.gz XQBIQFBXIVACCK-CABCVRRESA-N 2 0 269.433 1.027 10 0 CDAERP CCC[NH2+][C@@H]1CCCN([C@@H](C[NH+](C)C)C(C)C)C1=O ZINC000071034257 176023998 /nfs/dbraw/zinc/02/39/98/176023998.db2.gz IXQHMFOKVIVPNH-KGLIPLIRSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)[NH2+][C@H]1CCCN(CCCC[NH+](C)C)C1=O ZINC000071033932 176024069 /nfs/dbraw/zinc/02/40/69/176024069.db2.gz ZGCWSXMVLXMAGY-ZDUSSCGKSA-N 2 0 255.406 1.317 10 0 CDAERP CCC[NH2+][C@H]1CCCN([C@@H](C)C[NH+](CC)CC)C1=O ZINC000071034723 176024542 /nfs/dbraw/zinc/02/45/42/176024542.db2.gz IGRALQHDDVZBDI-KBPBESRZSA-N 2 0 269.433 1.707 10 0 CDAERP CC[NH2+][C@@H]1CCCN(C[C@H](C)[NH+]2CCCCC2)C1=O ZINC000071036398 176026135 /nfs/dbraw/zinc/02/61/35/176026135.db2.gz QNDALBYVDADNOW-UONOGXRCSA-N 2 0 267.417 1.461 10 0 CDAERP C[NH2+][C@H]1CCCN(CCC[N@@H+]2CCCC[C@@H]2C)C1=O ZINC000071037912 176026493 /nfs/dbraw/zinc/02/64/93/176026493.db2.gz VBRXPIWXLQCXDC-KBPBESRZSA-N 2 0 267.417 1.461 10 0 CDAERP CC(C)[NH2+][C@@H]1CCCN(CC[N@H+](C)C(C)C)C1=O ZINC000071042548 176028796 /nfs/dbraw/zinc/02/87/96/176028796.db2.gz QKHDHZJWUXEDEP-CYBMUJFWSA-N 2 0 255.406 1.316 10 0 CDAERP CC[C@H]1CCCC[C@@]1(C[NH3+])N1CCN(CC[NH+](C)C)CC1 ZINC000071162133 176046284 /nfs/dbraw/zinc/04/62/84/176046284.db2.gz RJGGSQNOAMILHL-IRXDYDNUSA-N 2 0 296.503 1.463 10 0 CDAERP CN(Cc1ccc(C[NH3+])cc1F)C[C@@H]1CC[N@H+](C)C1 ZINC000071188297 176062619 /nfs/dbraw/zinc/06/26/19/176062619.db2.gz SARPBQDOQMGXFZ-CYBMUJFWSA-N 2 0 265.376 1.668 10 0 CDAERP CN(C[C@H]1CC[N@H+](C)C1)C1(C[NH3+])Cc2ccccc2C1 ZINC000071188342 176062678 /nfs/dbraw/zinc/06/26/78/176062678.db2.gz WFRMEMNFGGYERN-AWEZNQCLSA-N 2 0 273.424 1.366 10 0 CDAERP C[C@@H]([NH3+])[C@@H](c1cccnc1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188125 176063162 /nfs/dbraw/zinc/06/31/62/176063162.db2.gz UUCFEFGYTGURFH-NFAWXSAZSA-N 2 0 262.401 1.353 10 0 CDAERP Cc1oc(CN(C)C[C@@H]2CC[N@H+](C)C2)cc1C[NH3+] ZINC000071191886 176070968 /nfs/dbraw/zinc/07/09/68/176070968.db2.gz BSHFCKOPTOLKKS-GFCCVEGCSA-N 2 0 251.374 1.430 10 0 CDAERP C[NH2+][C@@H]1CCN(C[C@@H](c2cccc(OC)c2)[NH+](C)C)C1 ZINC000071198484 176077330 /nfs/dbraw/zinc/07/73/30/176077330.db2.gz NXXUNEZOSSMLFA-ZBFHGGJFSA-N 2 0 277.412 1.592 10 0 CDAERP COCC[N@H+](Cc1ccc(F)cc1C[NH3+])[C@@H](C)COC ZINC000071263495 176097015 /nfs/dbraw/zinc/09/70/15/176097015.db2.gz IWDQMZMOAXJWLQ-LBPRGKRZSA-N 2 0 284.375 1.768 10 0 CDAERP C[C@@H](C(=O)N(C)[C@@H]1CC[NH2+]C1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000071309935 176116747 /nfs/dbraw/zinc/11/67/47/176116747.db2.gz BOMYDYZZCSYDBR-ZDEQEGDKSA-N 2 0 253.390 1.068 10 0 CDAERP CC[NH+]1CCC(CNC(=O)CC[C@@H](C)CC[NH3+])CC1 ZINC000079119661 177437795 /nfs/dbraw/zinc/43/77/95/177437795.db2.gz GSUGVYPHECGMOC-CYBMUJFWSA-N 2 0 269.433 1.600 10 0 CDAERP CCn1cncc1CNCC(=O)NC1CCCCC1 ZINC000417899449 227108301 /nfs/dbraw/zinc/10/83/01/227108301.db2.gz KUOCRHOAHBROGP-UHFFFAOYSA-N 2 0 264.373 1.442 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)CC[NH+](C)C)CC1 ZINC001666378803 1173130381 /nfs/dbraw/zinc/13/03/81/1173130381.db2.gz DSASODANBIEERD-UHFFFAOYSA-N 2 0 255.406 1.176 10 0 CDAERP C[C@@H]1CCN(C(=O)CC[C@H]2CCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000261906141 287520855 /nfs/dbraw/zinc/52/08/55/287520855.db2.gz WWTYPOAISNSODQ-UPJWGTAASA-N 2 0 253.390 1.104 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001666611107 1173160549 /nfs/dbraw/zinc/16/05/49/1173160549.db2.gz RPDCAPTZZDJZSC-AWEZNQCLSA-N 2 0 283.460 1.716 10 0 CDAERP Cc1nc[nH]c1CC(=O)NC[C@@H](C)C[NH2+]C/C=C\Cl ZINC001666657258 1173168640 /nfs/dbraw/zinc/16/86/40/1173168640.db2.gz WMGPRYRNMSEGND-XOULXFPDSA-N 2 0 284.791 1.355 10 0 CDAERP CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001666914888 1173207895 /nfs/dbraw/zinc/20/78/95/1173207895.db2.gz XVYRPWJUTHMGLT-KGLIPLIRSA-N 2 0 269.433 1.707 10 0 CDAERP CN(CC[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1)c1ccccc1 ZINC000662262466 423806281 /nfs/dbraw/zinc/80/62/81/423806281.db2.gz GQIHKSWTCXUAJD-MRXNPFEDSA-N 2 0 289.423 1.576 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)CC[NH2+]C2CC2)[C@H](C)C1 ZINC000655449272 423876440 /nfs/dbraw/zinc/87/64/40/423876440.db2.gz SRSRJWBHVWRVDA-OCCSQVGLSA-N 2 0 267.417 1.317 10 0 CDAERP CN(C(=O)[C@H]1C[C@]12CCC[NH2+]C2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000655450492 423878959 /nfs/dbraw/zinc/87/89/59/423878959.db2.gz QCOHXZTURKWMMW-GAXZYHLGSA-N 2 0 277.412 1.118 10 0 CDAERP CO[C@@H](C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)C1CCC1 ZINC000662274913 423842799 /nfs/dbraw/zinc/84/27/99/423842799.db2.gz YNVBCZYMKQPUAY-CABCVRRESA-N 2 0 282.428 1.489 10 0 CDAERP O=C(NCCC1CC[NH2+]CC1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000653267239 423962194 /nfs/dbraw/zinc/96/21/94/423962194.db2.gz MXYNIRZLIQSXCJ-ILXRZTDVSA-N 2 0 279.428 1.413 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCCC1(C[NH3+])CC1 ZINC000652148305 423966794 /nfs/dbraw/zinc/96/67/94/423966794.db2.gz UUAIGBODFHTFOQ-KBPBESRZSA-N 2 0 296.459 1.678 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000652225154 424088647 /nfs/dbraw/zinc/08/86/47/424088647.db2.gz RQAMAJVFOWRALH-LSDHHAIUSA-N 2 0 298.475 1.876 10 0 CDAERP CCN1C[C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CC1=O ZINC000652299892 424203991 /nfs/dbraw/zinc/20/39/91/424203991.db2.gz RLFFXIZWUYUMJM-YJNKXOJESA-N 2 0 279.428 1.317 10 0 CDAERP [NH3+]C[C@@H](NC(=O)C[C@H]([NH3+])c1ccccc1)C(F)(F)F ZINC000655516716 424180962 /nfs/dbraw/zinc/18/09/62/424180962.db2.gz XOLBLCSQTUATBZ-VHSXEESVSA-N 2 0 275.274 1.082 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCCF ZINC001667059265 1173227556 /nfs/dbraw/zinc/22/75/56/1173227556.db2.gz OEUOAZKSKCLRJW-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP COCCOCC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652362375 424312843 /nfs/dbraw/zinc/31/28/43/424312843.db2.gz FQYIHHUVZWCQKR-RBSFLKMASA-N 2 0 286.416 1.010 10 0 CDAERP CO[C@H]1C[N@H+](CCCc2cncn2C)CC[C@@H]1C ZINC000653634732 424385551 /nfs/dbraw/zinc/38/55/51/424385551.db2.gz GRJHEIMBDKSCPZ-JSGCOSHPSA-N 2 0 251.374 1.710 10 0 CDAERP CC(C)OCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652360466 424325914 /nfs/dbraw/zinc/32/59/14/424325914.db2.gz IWNBIUWQHYYFKM-KFWWJZLASA-N 2 0 270.417 1.772 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000659624259 424433306 /nfs/dbraw/zinc/43/33/06/424433306.db2.gz PVUSTOVIIPVMQQ-LSDHHAIUSA-N 2 0 296.459 1.630 10 0 CDAERP CC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000312754593 424441633 /nfs/dbraw/zinc/44/16/33/424441633.db2.gz MYXFJORPXZMLJF-JONQDZQNSA-N 2 0 284.444 1.315 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000655488964 424505172 /nfs/dbraw/zinc/50/51/72/424505172.db2.gz KBBUBKPXIVJWEP-ZNMIVQPWSA-N 2 0 281.444 1.741 10 0 CDAERP CC(C)([NH3+])c1cc(C(=O)N[C@H]2CC[NH2+]C23CCCC3)on1 ZINC000662822439 424507976 /nfs/dbraw/zinc/50/79/76/424507976.db2.gz AFQUXQYMTGLRPC-NSHDSACASA-N 2 0 292.383 1.273 10 0 CDAERP CC(C)[NH+]1CCN(CCC[N@H+](C)C2CCOCC2)CC1 ZINC000558597837 424603911 /nfs/dbraw/zinc/60/39/11/424603911.db2.gz LMIBDYGOKIQKOM-UHFFFAOYSA-N 2 0 283.460 1.513 10 0 CDAERP COc1cc(C[NH2+]C[C@H]2CC[NH2+]C2)cc(OC)c1 ZINC000398342321 270353317 /nfs/dbraw/zinc/35/33/17/270353317.db2.gz VRXIRTGYZVPXJO-NSHDSACASA-N 2 0 250.342 1.403 10 0 CDAERP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C1(C)C ZINC000530178828 271133135 /nfs/dbraw/zinc/13/31/35/271133135.db2.gz OIHPXCBVRQLFCI-FVCCEPFGSA-N 2 0 252.402 1.920 10 0 CDAERP C(C[C@@H]1CCCOC1)[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000530206505 271150566 /nfs/dbraw/zinc/15/05/66/271150566.db2.gz AEMBZHLBUJMYBV-CAOSSQGBSA-N 2 0 282.428 1.550 10 0 CDAERP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1Cc2ccccc2[C@H]1O ZINC000248176824 274340548 /nfs/dbraw/zinc/34/05/48/274340548.db2.gz VTEYLTODTGZZGR-LQPBRMSDSA-N 2 0 274.408 1.963 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@@H]21 ZINC000353448781 276174687 /nfs/dbraw/zinc/17/46/87/276174687.db2.gz PLHTVSKHVYEELG-KLHDSHLOSA-N 2 0 265.445 1.933 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000185138407 276338606 /nfs/dbraw/zinc/33/86/06/276338606.db2.gz MNEKOAHLHBXPNN-CYBMUJFWSA-N 2 0 284.448 1.452 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(C(C)(C)C)C2)[C@@H]2CCC[C@@H]21 ZINC000353632439 277172695 /nfs/dbraw/zinc/17/26/95/277172695.db2.gz ONNOWDZKZWIDBJ-QPSCCSFWSA-N 2 0 293.455 1.848 10 0 CDAERP COCC[N@@H+]1CCC[C@@H]1CN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422717636 277222046 /nfs/dbraw/zinc/22/20/46/277222046.db2.gz VVWCQYPPWSUWIC-KBRIMQKVSA-N 2 0 289.423 1.832 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC000422969103 277589595 /nfs/dbraw/zinc/58/95/95/277589595.db2.gz SYYFGUDRTXPNBT-SMDDNHRTSA-N 2 0 282.359 1.993 10 0 CDAERP C[C@H](C[NH2+][C@H]1CCCc2n[nH]cc21)N1CC[NH+](C)CC1 ZINC000367585358 278210981 /nfs/dbraw/zinc/21/09/81/278210981.db2.gz DDJLIEVHHOUKTR-OCCSQVGLSA-N 2 0 277.416 1.013 10 0 CDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCN2CCCCC2)CC1 ZINC000132286057 278289520 /nfs/dbraw/zinc/28/95/20/278289520.db2.gz XBWQVYJVLAUYTE-INIZCTEOSA-N 2 0 297.487 1.497 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000417834373 278310488 /nfs/dbraw/zinc/31/04/88/278310488.db2.gz UYIGDTQGTBRLHM-VXGBXAGGSA-N 2 0 282.432 1.428 10 0 CDAERP CC[NH+](CC)CCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000368619705 279107542 /nfs/dbraw/zinc/10/75/42/279107542.db2.gz RPHOOCWZPUSMGO-RRFJBIMHSA-N 2 0 253.434 1.791 10 0 CDAERP CC[N@H+](CCNC(=O)N1C[C@@H]2CCC[NH+]2C[C@@H]1C)C1CC1 ZINC000113611080 279197428 /nfs/dbraw/zinc/19/74/28/279197428.db2.gz RQBGJHLOVRDKLZ-ZFWWWQNUSA-N 2 0 294.443 1.349 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000336092304 279294487 /nfs/dbraw/zinc/29/44/87/279294487.db2.gz HFBIXZXPHHXWNO-ZBFHGGJFSA-N 2 0 294.443 1.208 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000246105714 279309810 /nfs/dbraw/zinc/30/98/10/279309810.db2.gz HMQICYHVIKUMBQ-HUUCEWRRSA-N 2 0 294.443 1.350 10 0 CDAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCC23CCOCC3)C1 ZINC000368515849 279396062 /nfs/dbraw/zinc/39/60/62/279396062.db2.gz AEUWEOJYNQLKPB-UONOGXRCSA-N 2 0 252.402 1.877 10 0 CDAERP C[C@@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1CCOCC1 ZINC000131514980 279678591 /nfs/dbraw/zinc/67/85/91/279678591.db2.gz RJDZQHPOQVDGDD-CQSZACIVSA-N 2 0 299.459 1.001 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)N(CC[NH+](C)C)CC(C)C)C1 ZINC000194170533 280026623 /nfs/dbraw/zinc/02/66/23/280026623.db2.gz QGDAXHILTCEUDR-HNNXBMFYSA-N 2 0 298.475 1.700 10 0 CDAERP CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1C)[NH+]1CCCCC1 ZINC000353958332 280172459 /nfs/dbraw/zinc/17/24/59/280172459.db2.gz DYGYEPFUKDTGAE-LSDHHAIUSA-N 2 0 281.444 1.707 10 0 CDAERP [NH3+][C@@H](CCC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000514924710 280859005 /nfs/dbraw/zinc/85/90/05/280859005.db2.gz PHNUTZRPMIUUOK-CVEARBPZSA-N 2 0 287.407 1.820 10 0 CDAERP CCO[C@@H]1C[C@@H]([NH2+]C2CCC(C[NH3+])CC2)[C@H]1n1cccn1 ZINC000517356269 281000142 /nfs/dbraw/zinc/00/01/42/281000142.db2.gz WLUQQAKIHKLFIP-KDQUWOQTSA-N 2 0 292.427 1.709 10 0 CDAERP CC1(C)CN(C(=O)CC2(C[NH3+])CCCCC2)CC[C@H]1[NH3+] ZINC000261845789 281161721 /nfs/dbraw/zinc/16/17/21/281161721.db2.gz LZERSMHMQFHXKQ-CYBMUJFWSA-N 2 0 281.444 1.872 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000251714901 288303574 /nfs/dbraw/zinc/30/35/74/288303574.db2.gz JPLDCHVKLVOACT-SUJAAXHWSA-N 2 0 291.439 1.602 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NCCCC[NH+]2CCC[C@@H](C)C2)C1 ZINC000552996866 290089306 /nfs/dbraw/zinc/08/93/06/290089306.db2.gz JTFYRJYLPNVKCR-HZPDHXFCSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@@H]1CC[N@H+](CCN[C@@H]2CC[NH+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000556868887 290312843 /nfs/dbraw/zinc/31/28/43/290312843.db2.gz BRSLXYBBXGBWIU-KLHDSHLOSA-N 2 0 265.445 1.791 10 0 CDAERP CC[NH2+]CCCNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000561204273 293062990 /nfs/dbraw/zinc/06/29/90/293062990.db2.gz PQCBBHXGPMTNSV-OAHLLOKOSA-N 2 0 296.459 1.646 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000422829873 293097576 /nfs/dbraw/zinc/09/75/76/293097576.db2.gz CECUDDVKQRDBRS-RDBSUJKOSA-N 3 0 257.422 1.203 10 0 CDAERP [NH3+]C[C@@H](C(=O)N1CCC[C@@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000562804969 293199341 /nfs/dbraw/zinc/19/93/41/293199341.db2.gz MZLWAFKTVCCSNP-SMDDNHRTSA-N 2 0 279.359 1.065 10 0 CDAERP C(C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)OC[C@H]1CCCO1 ZINC000570964151 294343360 /nfs/dbraw/zinc/34/33/60/294343360.db2.gz DYLBLFDJUFYCLH-HUUCEWRRSA-N 2 0 268.401 1.258 10 0 CDAERP C[C@@H]1C[C@@H](C[N@@H+]2CCc3ccccc3[C@H]2CN)CC[NH2+]1 ZINC000574916699 295076652 /nfs/dbraw/zinc/07/66/52/295076652.db2.gz BUQRUJZNDYNOML-JKIFEVAISA-N 2 0 273.424 1.933 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000261625785 295272303 /nfs/dbraw/zinc/27/23/03/295272303.db2.gz BFIMYTJZQVVDBJ-UMVBOHGHSA-N 2 0 279.428 1.495 10 0 CDAERP [NH3+][C@@H]1CC[C@@H](C(=O)N2CCC[N@@H+](C3CCCC3)CC2)C1 ZINC000262646432 295319542 /nfs/dbraw/zinc/31/95/42/295319542.db2.gz OIWSIYBKOLQDPL-ZIAGYGMSSA-N 2 0 279.428 1.591 10 0 CDAERP [NH3+][C@H]1CC[C@H](C(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000091545083 295341356 /nfs/dbraw/zinc/34/13/56/295341356.db2.gz WFSNNWRBZQRKIQ-STQMWFEESA-N 2 0 265.401 1.201 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000261659446 303426217 /nfs/dbraw/zinc/42/62/17/303426217.db2.gz BYSNZNIKRZVQIO-SCDSUCTJSA-N 2 0 288.395 1.211 10 0 CDAERP Cc1nocc1C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001670041855 1173648859 /nfs/dbraw/zinc/64/88/59/1173648859.db2.gz KSMXEVRQWCZCPJ-AWEZNQCLSA-N 2 0 294.399 1.015 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C1CCCC1 ZINC001671555388 1173688812 /nfs/dbraw/zinc/68/88/12/1173688812.db2.gz YXLLUVZCPHONNW-CYBMUJFWSA-N 2 0 255.406 1.223 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@](C)(C[NH2+]C/C=C/Cl)C1 ZINC001671779821 1173710634 /nfs/dbraw/zinc/71/06/34/1173710634.db2.gz NFYMIIJJGWVZSE-BTKRWWFXSA-N 2 0 287.835 1.519 10 0 CDAERP C[C@@H](Cn1cccn1)[NH2+]Cc1ccc2c(c1)C[NH2+]CC2 ZINC000575755548 317009890 /nfs/dbraw/zinc/00/98/90/317009890.db2.gz SPOJCYAOEBLHRA-ZDUSSCGKSA-N 2 0 270.380 1.707 10 0 CDAERP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000575914955 317037468 /nfs/dbraw/zinc/03/74/68/317037468.db2.gz ZOTFHHRYQDJMQO-GQGLESIBSA-N 3 0 294.487 1.452 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC000580092475 324369197 /nfs/dbraw/zinc/36/91/97/324369197.db2.gz HVSIEIZYXIRGJU-GOEBONIOSA-N 2 0 295.471 1.955 10 0 CDAERP Cn1cncc1CCCN1Cc2ccccc2NC(=O)C1 ZINC000584121985 327044886 /nfs/dbraw/zinc/04/48/86/327044886.db2.gz DTSJCPXZILHDTJ-UHFFFAOYSA-N 2 0 284.363 1.807 10 0 CDAERP C[C@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)[C@@H]1CCC[C@@H](C)C1 ZINC000584154213 327051507 /nfs/dbraw/zinc/05/15/07/327051507.db2.gz AJBVXNAFIMUIQE-TWMKSMIVSA-N 2 0 297.487 1.399 10 0 CDAERP CC(C)C[C@H](CN[C@@H](C)[C@@H]1CCC[NH2+]C1)[NH+](C)C ZINC000584225904 327068397 /nfs/dbraw/zinc/06/83/97/327068397.db2.gz IYRTVSQOZQOTPV-RRFJBIMHSA-N 2 0 255.450 1.940 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)CC[NH2+]CC)C1 ZINC001699129398 1159310617 /nfs/dbraw/zinc/31/06/17/1159310617.db2.gz FYWQSUGHLRENOQ-UONOGXRCSA-N 2 0 269.433 1.613 10 0 CDAERP C[C@H](C[NH2+]C/C=C\Cl)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001698861024 1175967748 /nfs/dbraw/zinc/96/77/48/1175967748.db2.gz RQZXLKXVGZGTSH-GJJFQZOLSA-N 2 0 273.808 1.127 10 0 CDAERP CC[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+][C@@H](C)COC ZINC001481838742 1159948775 /nfs/dbraw/zinc/94/87/75/1159948775.db2.gz GRVLMZKBSRXVNJ-KBPBESRZSA-N 2 0 299.459 1.380 10 0 CDAERP C[C@H](C[NH2+]CCCF)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001482330699 1160154655 /nfs/dbraw/zinc/15/46/55/1160154655.db2.gz LLANZVKZWDBAJG-CHWSQXEVSA-N 2 0 273.396 1.124 10 0 CDAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)CC1([NH3+])CC1 ZINC000398055426 482231430 /nfs/dbraw/zinc/23/14/30/482231430.db2.gz YKBBAVWWJAMIJO-UKRRQHHQSA-N 2 0 287.407 1.505 10 0 CDAERP c1c(C[NH2+]CC2CC[NH+](CC3CC3)CC2)nc2ncccn12 ZINC000668782201 482310684 /nfs/dbraw/zinc/31/06/84/482310684.db2.gz ASMJIWFTFVWKKL-UHFFFAOYSA-N 2 0 299.422 1.941 10 0 CDAERP COC1(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)CCCC1 ZINC000668785545 482313924 /nfs/dbraw/zinc/31/39/24/482313924.db2.gz RRSXNKAWCWUDSB-HNNXBMFYSA-N 2 0 284.444 1.988 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000227374132 482449634 /nfs/dbraw/zinc/44/96/34/482449634.db2.gz QMEMCBLPBCXWNM-ZNMIVQPWSA-N 2 0 279.428 1.448 10 0 CDAERP COc1ncncc1C[NH2+]CCCN1C[C@@H](C)O[C@H](C)C1 ZINC000647169401 482456770 /nfs/dbraw/zinc/45/67/70/482456770.db2.gz LRPKGHJIOBFQFY-CHWSQXEVSA-N 2 0 294.399 1.074 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000652291656 482459008 /nfs/dbraw/zinc/45/90/08/482459008.db2.gz BHNTVMDIQKAGNX-STQMWFEESA-N 2 0 290.411 1.285 10 0 CDAERP [NH3+]C/C=C\CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000668623234 482492849 /nfs/dbraw/zinc/49/28/49/482492849.db2.gz CGUKMCSAAVDPGJ-UIIMQBOASA-N 2 0 292.383 1.231 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000669514598 482535383 /nfs/dbraw/zinc/53/53/83/482535383.db2.gz SCOWTPHYFJPBLX-VXGBXAGGSA-N 2 0 253.390 1.023 10 0 CDAERP CC[C@@H](C[NH+]1CCCC1)NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000669529881 482598574 /nfs/dbraw/zinc/59/85/74/482598574.db2.gz HRUJBXIAYBLDEF-DZGCQCFKSA-N 2 0 294.443 1.397 10 0 CDAERP C[NH+]1CCCC[C@@H]1CCC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000672770047 482604350 /nfs/dbraw/zinc/60/43/50/482604350.db2.gz KMEQZFVAPNAVGQ-UONOGXRCSA-N 2 0 267.417 1.461 10 0 CDAERP COC[C@H](C)C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457255 482750354 /nfs/dbraw/zinc/75/03/54/482750354.db2.gz PEWKBKOWZHDVCO-ZBFHGGJFSA-N 2 0 283.460 1.369 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000656202083 482790270 /nfs/dbraw/zinc/79/02/70/482790270.db2.gz XZTSVMMSOBLOLA-RRFJBIMHSA-N 2 0 269.433 1.347 10 0 CDAERP C[C@H](NC(=O)NC/C=C\C[NH3+])[C@H](c1ccccc1)[NH+](C)C ZINC000669583409 482818520 /nfs/dbraw/zinc/81/85/20/482818520.db2.gz WBGWYKWICZQFOX-UDMBRALOSA-N 2 0 290.411 1.492 10 0 CDAERP c1cc(C[NH2+]C[C@@H]2CCCOC2)n(-c2cc[nH+]cc2)n1 ZINC000657324816 482851993 /nfs/dbraw/zinc/85/19/93/482851993.db2.gz XRUBXHYFBYRTPE-ZDUSSCGKSA-N 2 0 272.352 1.784 10 0 CDAERP [NH3+]C/C=C\CNC(=O)NCCCCC[NH+]1CCCC1 ZINC000669591846 482877405 /nfs/dbraw/zinc/87/74/05/482877405.db2.gz NOAVMPZYGZGPFF-RQOWECAXSA-N 2 0 268.405 1.067 10 0 CDAERP C[C@H](C(=O)N[C@H]1CCC[N@H+](C)C1)[C@H]([NH3+])c1ccccc1 ZINC000251062816 483035847 /nfs/dbraw/zinc/03/58/47/483035847.db2.gz QQGJXSXJQLSPSR-QEJZJMRPSA-N 2 0 275.396 1.533 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000252571410 483115414 /nfs/dbraw/zinc/11/54/14/483115414.db2.gz BHKTWAULLYPDPU-MJBXVCDLSA-N 2 0 267.417 1.304 10 0 CDAERP C[NH+](C)Cc1ccccc1CNC(=O)C[C@H]1CC[NH2+]C1 ZINC000089747010 483130464 /nfs/dbraw/zinc/13/04/64/483130464.db2.gz KLQVXJOLHDLJNY-CYBMUJFWSA-N 2 0 275.396 1.364 10 0 CDAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC1CC(C)(C)C1 ZINC000667315898 483210733 /nfs/dbraw/zinc/21/07/33/483210733.db2.gz MQLDSWKLAXNMEA-UHFFFAOYSA-N 2 0 284.448 1.310 10 0 CDAERP COc1cc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc2c1OCCO2 ZINC000414932090 483295343 /nfs/dbraw/zinc/29/53/43/483295343.db2.gz VKWVUJDTWIJHDU-QWHCGFSZSA-N 2 0 292.379 1.826 10 0 CDAERP c1cc(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)n(-c2cc[nH+]cc2)n1 ZINC000667646600 483364131 /nfs/dbraw/zinc/36/41/31/483364131.db2.gz ZNCYUHMOMJJEHO-XJKSGUPXSA-N 2 0 283.379 1.451 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667785159 483425940 /nfs/dbraw/zinc/42/59/40/483425940.db2.gz IKUGQZCVZYATKK-FVQBIDKESA-N 2 0 281.444 1.170 10 0 CDAERP Cc1ccccc1C[N@@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001409628984 1160863964 /nfs/dbraw/zinc/86/39/64/1160863964.db2.gz PAEYPJAJGGFLPH-OAHLLOKOSA-N 2 0 291.439 1.883 10 0 CDAERP CC(C)[NH2+][C@@](C)(C[C@H](C)N1CCC([NH+](C)C)CC1)C(=O)[O-] ZINC000068625368 519736505 /nfs/dbraw/zinc/73/65/05/519736505.db2.gz PTHZXRVMQJBKLS-BBRMVZONSA-N 2 0 299.459 1.632 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@H](C[N@H+](CCN(C)C)CC(C)C)O1 ZINC000052503388 519954144 /nfs/dbraw/zinc/95/41/44/519954144.db2.gz DSGAWNFRODSDRU-JKSUJKDBSA-N 2 0 285.476 1.663 10 0 CDAERP CC[NH2+][C@H](C)[C@H]1CCC[N@H+](CCCC(=O)NC)C1 ZINC000068815681 520176147 /nfs/dbraw/zinc/17/61/47/520176147.db2.gz JLUHYOUTPLNFBN-OLZOCXBDSA-N 2 0 255.406 1.223 10 0 CDAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH+](C)CCCF ZINC001485349578 1161276367 /nfs/dbraw/zinc/27/63/67/1161276367.db2.gz HYURTDNYDURXRF-QWHCGFSZSA-N 2 0 273.396 1.124 10 0 CDAERP CC[NH+](CC)C[C@H](O)CN[C@@H](C)C[NH+](CC)CC ZINC000045704380 520736648 /nfs/dbraw/zinc/73/66/48/520736648.db2.gz YEFFJBPBADASHA-UONOGXRCSA-N 2 0 259.438 1.009 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(c2ccnc(C(N)=[NH2+])c2)C1 ZINC000062980564 520848445 /nfs/dbraw/zinc/84/84/45/520848445.db2.gz OVVNOQHRKHWFEC-GFCCVEGCSA-N 2 0 261.373 1.286 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]CCC(C)(C)C ZINC001714422082 1179132926 /nfs/dbraw/zinc/13/29/26/1179132926.db2.gz MVRHJSRWDVUAOZ-ZIAGYGMSSA-N 2 0 283.460 1.859 10 0 CDAERP CN(C[C@H]1CC[N@@H+]1CCCCCF)C(=O)Cn1ccnc1 ZINC001691683394 1161561172 /nfs/dbraw/zinc/56/11/72/1161561172.db2.gz RPXWEGWWVQQIOE-CQSZACIVSA-N 2 0 296.390 1.556 10 0 CDAERP C[NH2+]Cc1nc(CN2CCC([NH+](C)C)CC2)cs1 ZINC000052477485 522153143 /nfs/dbraw/zinc/15/31/43/522153143.db2.gz BUIMKKBYYULYTP-UHFFFAOYSA-N 2 0 268.430 1.389 10 0 CDAERP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@H+](C)CC1CC1 ZINC001722916372 1181493000 /nfs/dbraw/zinc/49/30/00/1181493000.db2.gz LOZCYOCGBWEVRO-LBPRGKRZSA-N 2 0 255.406 1.173 10 0 CDAERP CCc1nc(N(C)[C@H]2CCC[N@H+](C)C2)sc1C[NH3+] ZINC000054998278 522380190 /nfs/dbraw/zinc/38/01/90/522380190.db2.gz QLENMZYJCDMNIE-JTQLQIEISA-N 2 0 268.430 1.695 10 0 CDAERP CC(C)C[C@H]1CN(C2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000062625156 519415588 /nfs/dbraw/zinc/41/55/88/519415588.db2.gz UQZLZIGOTROLTI-AWEZNQCLSA-N 2 0 253.434 1.791 10 0 CDAERP CC(C)[N@H+](C)CCCC[NH2+]C[C@@H](O)COC(C)(C)C ZINC000045700379 519616808 /nfs/dbraw/zinc/61/68/08/519616808.db2.gz IMAJLZULQWETPU-CQSZACIVSA-N 2 0 274.449 1.872 10 0 CDAERP CC(C)CCOCCN1CCC[N@H+](CCCC[NH3+])CC1 ZINC000049265210 519665261 /nfs/dbraw/zinc/66/52/61/519665261.db2.gz GESBWUZXHHYUEV-UHFFFAOYSA-N 2 0 285.476 1.796 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000246216427 519677206 /nfs/dbraw/zinc/67/72/06/519677206.db2.gz GHJZZFRRXMCTHA-MGPQQGTHSA-N 2 0 267.417 1.350 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C[C@H](C)C[NH2+]C1CC1 ZINC000052503300 519716162 /nfs/dbraw/zinc/71/61/62/519716162.db2.gz YVZULXNXTDKWCJ-CQSZACIVSA-N 2 0 255.450 1.894 10 0 CDAERP CC(C)C[NH+]1CCN(C[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000055082071 519726399 /nfs/dbraw/zinc/72/63/99/519726399.db2.gz ZWTRMIRZNFEXAG-LSDHHAIUSA-N 2 0 253.434 1.778 10 0 CDAERP CC(C)C[NH+]1CCN(Cc2[nH+]c(NN)ccc2Cl)CC1 ZINC000061639132 519727008 /nfs/dbraw/zinc/72/70/08/519727008.db2.gz ISWYXAFMMMATJA-UHFFFAOYSA-N 2 0 297.834 1.794 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCN([C@@H]2C[NH+]3CCC2CC3)C1 ZINC000053012384 519746180 /nfs/dbraw/zinc/74/61/80/519746180.db2.gz JRRLDVRIDNMMOW-GDBMZVCRSA-N 2 0 265.445 1.648 10 0 CDAERP CC(C)C[NH2+]Cc1cn(CC[N@H+](C)CC(C)C)nn1 ZINC000052452695 519748177 /nfs/dbraw/zinc/74/81/77/519748177.db2.gz LTBNWUBPLOWXII-UHFFFAOYSA-N 2 0 267.421 1.612 10 0 CDAERP CC(C)OCCC[NH2+]CCN1CCC[C@H]1C[NH+](C)C ZINC000061655110 519764243 /nfs/dbraw/zinc/76/42/43/519764243.db2.gz VDWNQWACNYUASI-HNNXBMFYSA-N 2 0 271.449 1.417 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055139155 519793147 /nfs/dbraw/zinc/79/31/47/519793147.db2.gz IAGIFRMICPLXCN-MELADBBJSA-N 2 0 269.433 1.596 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000055090760 519846104 /nfs/dbraw/zinc/84/61/04/519846104.db2.gz BLUTXVGFAIFYOD-KBPBESRZSA-N 2 0 267.417 1.495 10 0 CDAERP CCC[NH+]1CCN(C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000055124547 519855849 /nfs/dbraw/zinc/85/58/49/519855849.db2.gz MBQYRFCUJHNISF-KBPBESRZSA-N 2 0 267.417 1.448 10 0 CDAERP CCCC1CC[NH+](CCn2cc(C[NH3+])nn2)CC1 ZINC000052373969 519901525 /nfs/dbraw/zinc/90/15/25/519901525.db2.gz RVFDENDMQHKZTG-UHFFFAOYSA-N 2 0 251.378 1.249 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000061298521 519904501 /nfs/dbraw/zinc/90/45/01/519904501.db2.gz XMKYVLGCLCCZAG-UHFFFAOYSA-N 2 0 269.433 1.800 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)NCC[NH+]1CCCCCC1 ZINC000061298310 519904983 /nfs/dbraw/zinc/90/49/83/519904983.db2.gz QNJXHJBOOYGZRT-UHFFFAOYSA-N 2 0 255.406 1.367 10 0 CDAERP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCc1nccn1C ZINC000054602460 519909522 /nfs/dbraw/zinc/90/95/22/519909522.db2.gz KBNBWNBHUYQZNI-GOOCMWNKSA-N 2 0 276.428 1.958 10 0 CDAERP CCC[NH2+]CC1(C[N@H+](CCO)C(C)C)CCOCC1 ZINC000052198010 519909660 /nfs/dbraw/zinc/90/96/60/519909660.db2.gz JMADHIFSJVTLSX-UHFFFAOYSA-N 2 0 272.433 1.486 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@H](C[N@H+]2C[C@@H](C)O[C@@H](C)C2)O1 ZINC000052380805 519926400 /nfs/dbraw/zinc/92/64/00/519926400.db2.gz CRWYDKFWYDDJGA-LJISPDSOSA-N 2 0 270.417 1.643 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000061233381 519935038 /nfs/dbraw/zinc/93/50/38/519935038.db2.gz ANCORUZNNGMJBV-GFCCVEGCSA-N 2 0 255.406 1.221 10 0 CDAERP CC[NH2+][C@H]1CCCCC[C@H]1N1CCN(CC[NH+](C)C)CC1 ZINC000061644023 520213191 /nfs/dbraw/zinc/21/31/91/520213191.db2.gz ZFDVTYMVAQJQEG-DLBZAZTESA-N 2 0 296.503 1.476 10 0 CDAERP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]([NH3+])CCOC)CC1 ZINC000052809099 520397068 /nfs/dbraw/zinc/39/70/68/520397068.db2.gz RSHMOFFUYNMPCV-HNNXBMFYSA-N 2 0 299.459 1.321 10 0 CDAERP CC[NH+](CC)CC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000068115919 520580150 /nfs/dbraw/zinc/58/01/50/520580150.db2.gz APURODUBPLESIN-INIZCTEOSA-N 2 0 291.439 1.617 10 0 CDAERP CC[NH+](CC)CCNC(=O)[C@H]1CCC[C@H](C[NH3+])C1 ZINC000055145548 520680620 /nfs/dbraw/zinc/68/06/20/520680620.db2.gz IETYQJRPKLEYDJ-STQMWFEESA-N 2 0 255.406 1.210 10 0 CDAERP CCC[C@@H](C[NH3+])C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000062073583 520705763 /nfs/dbraw/zinc/70/57/63/520705763.db2.gz JLNYFLYDEVVORT-STQMWFEESA-N 2 0 255.406 1.210 10 0 CDAERP CCC[C@@H]1CC[C@@H]([NH3+])[C@H](N2CCN(CC[NH+](C)C)CC2)C1 ZINC000061643859 520829822 /nfs/dbraw/zinc/82/98/22/520829822.db2.gz FTCVRYLHZNFTJN-BRWVUGGUSA-N 2 0 296.503 1.462 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(Cc2cc(C[NH3+])no2)C1 ZINC000062972241 520846911 /nfs/dbraw/zinc/84/69/11/520846911.db2.gz GAOBKNCXAJFLLG-GFCCVEGCSA-N 2 0 252.362 1.049 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(CC[NH2+]C[C@@H]2CCOC2)C1 ZINC000062974285 520847351 /nfs/dbraw/zinc/84/73/51/520847351.db2.gz AGICINADZJMSOW-LSDHHAIUSA-N 2 0 269.433 1.029 10 0 CDAERP CCCC[C@@H]([NH3+])C(=O)N1CC[NH+]([C@H](C)CC)CC1 ZINC000055078427 521060621 /nfs/dbraw/zinc/06/06/21/521060621.db2.gz URPBAQLTQDCDGB-CHWSQXEVSA-N 2 0 255.406 1.447 10 0 CDAERP CCC[C@H](C[NH3+])C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062976516 521099183 /nfs/dbraw/zinc/09/91/83/521099183.db2.gz AUGNWQSVNXWCHW-KGLIPLIRSA-N 2 0 267.417 1.448 10 0 CDAERP CCOC(=O)[C@](C)([NH3+])CCC[N@H+](CC)CC1CC1 ZINC000069239444 521326488 /nfs/dbraw/zinc/32/64/88/521326488.db2.gz MUEYGHVECVJIRJ-CQSZACIVSA-N 2 0 256.390 1.779 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000236852337 521547641 /nfs/dbraw/zinc/54/76/41/521547641.db2.gz RFLQKVIISDUJJQ-LSDHHAIUSA-N 2 0 281.444 1.742 10 0 CDAERP CCC(CC)[C@H](CNC(=O)[C@@H](C)[C@H](C)[NH3+])[NH+]1CCCC1 ZINC000248969515 521617084 /nfs/dbraw/zinc/61/70/84/521617084.db2.gz CYZRXCBIMBMUOR-YDHLFZDLSA-N 2 0 283.460 1.987 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@H]1CCC[C@@H]([NH3+])[C@@H]1C ZINC000055139751 521655735 /nfs/dbraw/zinc/65/57/35/521655735.db2.gz NFVXMHIKIRDDCG-HZSPNIEDSA-N 2 0 269.433 1.550 10 0 CDAERP CCCN(CC[NH+](C)C)Cc1cc(C[NH2+]CC)no1 ZINC000052544196 521656759 /nfs/dbraw/zinc/65/67/59/521656759.db2.gz QAQPVBYBBZSGNV-UHFFFAOYSA-N 2 0 268.405 1.558 10 0 CDAERP CCCN(CC[NH+](C)C)c1ncc([C@@H](C)[NH3+])s1 ZINC000054897711 521658764 /nfs/dbraw/zinc/65/87/64/521658764.db2.gz JNKODPWRQCNXDW-SNVBAGLBSA-N 2 0 256.419 1.941 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@](C)([NH3+])c1ccccc1 ZINC000061645148 521831275 /nfs/dbraw/zinc/83/12/75/521831275.db2.gz PCEWFBZZRVPPHK-GOEBONIOSA-N 2 0 275.396 1.413 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000156756651 521866693 /nfs/dbraw/zinc/86/66/93/521866693.db2.gz UHZTWMXLOLZXIM-OAHLLOKOSA-N 2 0 273.380 1.456 10 0 CDAERP C[NH2+]C[C@@H](C(C)C)N1CC[NH+](C2CCCC2)CC1 ZINC000052573427 522025897 /nfs/dbraw/zinc/02/58/97/522025897.db2.gz OGFJRGLELZMFCD-HNNXBMFYSA-N 2 0 253.434 1.791 10 0 CDAERP C[NH2+]C[C@@H]1CC[C@@H](C[N@@H+]2CCc3sccc3C2)O1 ZINC000052416588 522058689 /nfs/dbraw/zinc/05/86/89/522058689.db2.gz TWPABVDMZZUTKR-STQMWFEESA-N 2 0 266.410 1.873 10 0 CDAERP C[NH2+]Cc1cc(CN2CC[NH+](C(C)(C)C)CC2)on1 ZINC000052571637 522105963 /nfs/dbraw/zinc/10/59/63/522105963.db2.gz ZQGFEYWOMCNXJB-UHFFFAOYSA-N 2 0 266.389 1.310 10 0 CDAERP CC[C@H](CC[NH3+])[N@@H+]1CCCN(c2ncccc2F)CC1 ZINC000054700368 522128636 /nfs/dbraw/zinc/12/86/36/522128636.db2.gz VINPIWNQUVXHHK-CYBMUJFWSA-N 2 0 280.391 1.860 10 0 CDAERP CC[C@@H](C)[NH+]1CCN([C@H](C[NH3+])C2CCOCC2)CC1 ZINC000055064394 522130804 /nfs/dbraw/zinc/13/08/04/522130804.db2.gz UEWVLSSPUQATSM-UKRRQHHQSA-N 2 0 269.433 1.156 10 0 CDAERP CN(C)c1cc[nH+]cc1NC(=O)CCC1CC[NH2+]CC1 ZINC000050943708 522312778 /nfs/dbraw/zinc/31/27/78/522312778.db2.gz DSOROTKQNRIAAP-UHFFFAOYSA-N 2 0 276.384 1.866 10 0 CDAERP CCc1nc(N2CCC([NH+](C)C)CC2)sc1C[NH2+]C ZINC000054997458 522383385 /nfs/dbraw/zinc/38/33/85/522383385.db2.gz HAZVDXQWYHPXDN-UHFFFAOYSA-N 2 0 282.457 1.955 10 0 CDAERP C[NH2+][C@H](c1ccccc1)[C@H](C)N1CC[C@H]([NH+](C)C)C1 ZINC000062965255 522485487 /nfs/dbraw/zinc/48/54/87/522485487.db2.gz MBLIXBJETPCKQW-BPUTZDHNSA-N 2 0 261.413 1.972 10 0 CDAERP C[NH2+][C@H]1CCCCCC[C@H]1N1CCN(CC[NH+](C)C)CC1 ZINC000061643847 522490666 /nfs/dbraw/zinc/49/06/66/522490666.db2.gz GUEAEHOVUSYHEY-DLBZAZTESA-N 2 0 296.503 1.476 10 0 CDAERP CN(CC[NH2+]Cc1cccnc1)[C@@H]1CCC[N@H+](C)C1 ZINC000053388540 522867053 /nfs/dbraw/zinc/86/70/53/522867053.db2.gz DSKILYUTXFZUON-OAHLLOKOSA-N 2 0 262.401 1.197 10 0 CDAERP COCC1CC[NH+](CCC[C@](C)([NH2+]C(C)C)C(N)=O)CC1 ZINC000069507632 522933108 /nfs/dbraw/zinc/93/31/08/522933108.db2.gz KYCMGSZLWAUVIY-INIZCTEOSA-N 2 0 299.459 1.367 10 0 CDAERP COCCC[N@H+](CCOC)[C@@H](C)CC[NH2+]CC(C)C ZINC000052543334 523258980 /nfs/dbraw/zinc/25/89/80/523258980.db2.gz IUOKEFLGUFXNMP-HNNXBMFYSA-N 2 0 274.449 1.996 10 0 CDAERP CC[C@@H]1CC[C@@H]([NH2+]C)[C@H](N2CCN(CC[NH+](C)C)CC2)C1 ZINC000061643851 523352698 /nfs/dbraw/zinc/35/26/98/523352698.db2.gz LPTQFKUURGIXIF-BRWVUGGUSA-N 2 0 296.503 1.332 10 0 CDAERP CCn1cc(C[N@H+](C)Cc2ccccc2C[NH3+])cn1 ZINC000050539221 523366856 /nfs/dbraw/zinc/36/68/56/523366856.db2.gz GIPHDFLKBXSYAP-UHFFFAOYSA-N 2 0 258.369 1.994 10 0 CDAERP C[NH+]1CCC(CN2[C@@H]3CCC[C@H]2CC([NH3+])C3)CC1 ZINC000054602705 523761188 /nfs/dbraw/zinc/76/11/88/523761188.db2.gz JOXMMXGAULGQAC-GOOCMWNKSA-N 2 0 251.418 1.672 10 0 CDAERP COCC[NH2+]CC1CC[NH+](CCOCCC(C)C)CC1 ZINC000053660998 523936199 /nfs/dbraw/zinc/93/61/99/523936199.db2.gz QGBAJDJTGYOOPR-UHFFFAOYSA-N 2 0 286.460 1.997 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)C2CCC([NH3+])CC2)CC1 ZINC000055077807 523948488 /nfs/dbraw/zinc/94/84/88/523948488.db2.gz PDSUCLXHGAKAQG-HSBZDZAISA-N 2 0 267.417 1.447 10 0 CDAERP C[NH+](C)CC1CCN(Cc2ccc[nH+]c2NN)CC1 ZINC000052719793 524049956 /nfs/dbraw/zinc/04/99/56/524049956.db2.gz LBMHYJONRSNCMB-UHFFFAOYSA-N 2 0 263.389 1.141 10 0 CDAERP C[C@H]1CCC[C@H](C(=O)N2CCC[C@@H]2C[NH+](C)C)[NH2+]1 ZINC000061652094 524177161 /nfs/dbraw/zinc/17/71/61/524177161.db2.gz QGWMXBSYLJDQMZ-YNEHKIRRSA-N 2 0 253.390 1.070 10 0 CDAERP C[C@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)NCC1CC[NH+](C)CC1 ZINC000055140206 524203715 /nfs/dbraw/zinc/20/37/15/524203715.db2.gz QHYMHEWZZNJMEP-FPMFFAJLSA-N 2 0 267.417 1.208 10 0 CDAERP C[C@H](C[NH3+])CN1CC[NH+](CCCOc2ccccc2)CC1 ZINC000061815639 524307924 /nfs/dbraw/zinc/30/79/24/524307924.db2.gz ZDZBGNJCCSZSOZ-MRXNPFEDSA-N 2 0 291.439 1.668 10 0 CDAERP C[C@H]1CC[C@@H](C(=O)NCC(C)(C)[NH+](C)C)C[C@@H]1[NH3+] ZINC000055141684 524332769 /nfs/dbraw/zinc/33/27/69/524332769.db2.gz OGFJXQGHDBEBAK-TUAOUCFPSA-N 2 0 255.406 1.206 10 0 CDAERP Cc1cccc(C[NH2+]CCN2CC[NH+](C)CC2)c1C ZINC000049933429 524431567 /nfs/dbraw/zinc/43/15/67/524431567.db2.gz VTIOOALJRGWHGD-UHFFFAOYSA-N 2 0 261.413 1.640 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC([NH+](C)C)CC2)CC[C@@H]1[NH3+] ZINC000055128196 524765458 /nfs/dbraw/zinc/76/54/58/524765458.db2.gz AZONKGHUNFIMAJ-OBJOEFQTSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@H]([NH3+])CCC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000226510849 524830145 /nfs/dbraw/zinc/83/01/45/524830145.db2.gz MCFNODFSRGGEOM-VNHYZAJKSA-N 2 0 269.433 1.741 10 0 CDAERP C[C@H]([NH3+])CCC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000226510856 524831509 /nfs/dbraw/zinc/83/15/09/524831509.db2.gz MCFNODFSRGGEOM-IPYPFGDCSA-N 2 0 269.433 1.741 10 0 CDAERP C[C@]([NH3+])(CN1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000052883489 525149677 /nfs/dbraw/zinc/14/96/77/525149677.db2.gz SVZKKYANBNBETL-INIZCTEOSA-N 2 0 259.397 1.641 10 0 CDAERP COc1ccc([C@H](C[NH3+])N2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000061642131 525353227 /nfs/dbraw/zinc/35/32/27/525353227.db2.gz GLJJQPGAKHGMSQ-ZBFHGGJFSA-N 2 0 277.412 1.721 10 0 CDAERP C[C@@H]1[C@@H]([NH3+])CCC[C@@H]1C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000055131552 525663784 /nfs/dbraw/zinc/66/37/84/525663784.db2.gz QAMFDPUTHJOEOZ-CRWXNKLISA-N 2 0 267.417 1.303 10 0 CDAERP Cc1nc(N2CCC[C@H]2C[NH+](C)C)sc1C[NH3+] ZINC000061655578 526965660 /nfs/dbraw/zinc/96/56/60/526965660.db2.gz UCKARRUGGYGVJX-JTQLQIEISA-N 2 0 254.403 1.441 10 0 CDAERP [NH3+]C1CCC(CC(=O)NCC[NH+]2CCCCC2)CC1 ZINC000055138356 527139076 /nfs/dbraw/zinc/13/90/76/527139076.db2.gz CIBAPSLPHWGHBM-UHFFFAOYSA-N 2 0 267.417 1.496 10 0 CDAERP [NH3+]CCCC[NH+]1CCN(c2cnc3ccccc3n2)CC1 ZINC000052017314 527175716 /nfs/dbraw/zinc/17/57/16/527175716.db2.gz QOKNIFHDXJKPHY-UHFFFAOYSA-N 2 0 285.395 1.491 10 0 CDAERP [NH3+]Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000069401671 527254437 /nfs/dbraw/zinc/25/44/37/527254437.db2.gz RBWBGSYTDLNMTO-MRXNPFEDSA-N 2 0 293.386 1.191 10 0 CDAERP [NH3+][C@@H]1CCCC[C@@H]1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000055088892 527342761 /nfs/dbraw/zinc/34/27/61/527342761.db2.gz GSMHJZSSATXMHK-JKSUJKDBSA-N 2 0 293.455 1.981 10 0 CDAERP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422982126 534963271 /nfs/dbraw/zinc/96/32/71/534963271.db2.gz VQTXUMBBRGKNJC-HZMVEIRTSA-N 2 0 298.471 1.920 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)NCCC[NH3+])c1cccc(F)c1 ZINC000416858761 536128891 /nfs/dbraw/zinc/12/88/91/536128891.db2.gz ZEEYWVXXSMTRAV-ZDUSSCGKSA-N 2 0 282.363 1.076 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCc1ccc2c(c1)OCCO2 ZINC000234722356 536595448 /nfs/dbraw/zinc/59/54/48/536595448.db2.gz JVJPNRHWVVBAGK-CQSZACIVSA-N 2 0 294.395 1.344 10 0 CDAERP Cc1nn(C)c2sc([C@@H]3C[NH2+]C[C@@H](C[NH3+])C3)cc12 ZINC000757216006 574907948 /nfs/dbraw/zinc/90/79/48/574907948.db2.gz OVHZCGRPNQCXRF-ZJUUUORDSA-N 2 0 264.398 1.595 10 0 CDAERP C[NH+](C)CCCNC(=S)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000743003329 576622170 /nfs/dbraw/zinc/62/21/70/576622170.db2.gz RXCNQVAAGUHZSO-AGUYFDCRSA-N 2 0 298.500 1.418 10 0 CDAERP C[NH+]1CCC2(C[NH2+]C[C@@H]2C(=O)OC(C)(C)C)CC1 ZINC000757186457 577034620 /nfs/dbraw/zinc/03/46/20/577034620.db2.gz XZSCILNFDLOPLX-LLVKDONJSA-N 2 0 254.374 1.260 10 0 CDAERP C[NH+](C)[C@]1(CN[C@H]2CC[NH2+]C23CCC3)CCSC1 ZINC000925532794 617466332 /nfs/dbraw/zinc/46/63/32/617466332.db2.gz YHMHWZPSDPDNPY-STQMWFEESA-N 2 0 269.458 1.298 10 0 CDAERP C[N@@H+]1CCCN(CCC[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925608560 617553130 /nfs/dbraw/zinc/55/31/30/617553130.db2.gz FEEQHLPRYVIGQJ-HOTGVXAUSA-N 3 0 296.503 1.510 10 0 CDAERP CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)O1 ZINC000925627850 617576097 /nfs/dbraw/zinc/57/60/97/617576097.db2.gz AFUAUYHOHGBISA-SYQHCUMBSA-N 2 0 297.443 1.118 10 0 CDAERP CC1(C)[C@H]([NH2+][C@@H](CO)Cc2ccccc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925639595 617583711 /nfs/dbraw/zinc/58/37/11/617583711.db2.gz CSQZMPASODBIEA-WCXIOVBPSA-N 2 0 288.435 1.956 10 0 CDAERP C[C@H](CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)[NH+]1CCCCC1 ZINC000841724294 620722265 /nfs/dbraw/zinc/72/22/65/620722265.db2.gz FHYZKVOBNPVZGI-HIFRSBDPSA-N 2 0 294.443 1.397 10 0 CDAERP C[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccco1 ZINC000925857305 617896784 /nfs/dbraw/zinc/89/67/84/617896784.db2.gz SKUVYTVBWWZFFI-VXGBXAGGSA-N 2 0 278.352 1.616 10 0 CDAERP C[N@@H+]1C[C@@H]2CN(C[C@H](O)CC3(O)CCCCC3)C[C@]2(C)C1 ZINC000933733315 617599434 /nfs/dbraw/zinc/59/94/34/617599434.db2.gz CBQUCAKIHBDVQF-OAGGEKHMSA-N 2 0 296.455 1.316 10 0 CDAERP C1C(N[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1[NH+]1CCCCC1 ZINC000925663118 617608828 /nfs/dbraw/zinc/60/88/28/617608828.db2.gz PMWIUSXCEKKLDA-HYOGUNMRSA-N 2 0 275.440 1.589 10 0 CDAERP [NH3+][C@H]1C[C@H]([NH2+]C[C@H](O)Cc2ccccc2)C12CCC2 ZINC000925667845 617622392 /nfs/dbraw/zinc/62/23/92/617622392.db2.gz DWGOUTGRRYOSIB-ILXRZTDVSA-N 2 0 260.381 1.450 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)N[C@@H]1CC[NH2+]C12CCC2 ZINC000925676635 617641668 /nfs/dbraw/zinc/64/16/68/617641668.db2.gz OEMLQGYFGQVJJA-ZIAGYGMSSA-N 2 0 253.434 1.981 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000925808572 617749094 /nfs/dbraw/zinc/74/90/94/617749094.db2.gz YWPUUHKRTURLTB-HTFCKZLJSA-N 2 0 296.333 1.438 10 0 CDAERP CO[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)[C@H]1CCOC1 ZINC000925713159 617816576 /nfs/dbraw/zinc/81/65/76/617816576.db2.gz KECAFZFQEPSYHH-REWJHTLYSA-N 2 0 270.417 1.534 10 0 CDAERP C[C@H](N[C@H](CC[NH+](C)C)c1cccnc1)C1C[NH2+]C1 ZINC000925826577 617832559 /nfs/dbraw/zinc/83/25/59/617832559.db2.gz IDZFLPZUVAWXLR-SWLSCSKDSA-N 2 0 262.401 1.272 10 0 CDAERP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000925830455 617849239 /nfs/dbraw/zinc/84/92/39/617849239.db2.gz DVFZFMKHSWMQQA-HCVDEJBSSA-N 2 0 290.407 1.338 10 0 CDAERP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@@H]2CCn3ccnc32)C1 ZINC000925882819 617970052 /nfs/dbraw/zinc/97/00/52/617970052.db2.gz VBBXXWXMIZHRCF-INMHGKMJSA-N 2 0 282.391 1.977 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCC[C@@H]2C)CC[N@@H+]1C ZINC000897430378 620780061 /nfs/dbraw/zinc/78/00/61/620780061.db2.gz RZZVXAMLJXUQFE-MELADBBJSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000925765351 618144442 /nfs/dbraw/zinc/14/44/42/618144442.db2.gz MWKHMAGPIRLWLU-PKCACUDHSA-N 2 0 252.402 1.907 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCN(CC(F)(F)F)C1 ZINC000924867270 618419167 /nfs/dbraw/zinc/41/91/67/618419167.db2.gz DUGBBQITLNLMJL-DAAZQVBGSA-N 2 0 291.361 1.553 10 0 CDAERP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)S2)N1CC[NH+](C)CC1 ZINC000924966734 618484668 /nfs/dbraw/zinc/48/46/68/618484668.db2.gz UOVGJZIFPJTJQJ-FFHGMXDLSA-N 2 0 283.485 1.639 10 0 CDAERP CC(C)[C@@H]1COCC[C@H]1[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000924991211 618556199 /nfs/dbraw/zinc/55/61/99/618556199.db2.gz ITVQUMZQZHGBFP-OWCLPIDISA-N 2 0 283.460 1.273 10 0 CDAERP O[C@H](C[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1)C[NH+]1CCCC1 ZINC000902762943 625298401 /nfs/dbraw/zinc/29/84/01/625298401.db2.gz RUDFKSLDMZHETC-LXTVHRRPSA-N 2 0 252.402 1.611 10 0 CDAERP CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H]1C)[NH+]1CCCCC1 ZINC000928444181 619090563 /nfs/dbraw/zinc/09/05/63/619090563.db2.gz JRIOHSAMMIAKJS-RRFJBIMHSA-N 2 0 281.444 1.706 10 0 CDAERP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cn2c(n1)CCCC2 ZINC000925118537 619369697 /nfs/dbraw/zinc/36/96/97/619369697.db2.gz STIOONXUAZKWMF-ZDUSSCGKSA-N 2 0 292.427 1.327 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@]1(C)CCCC[C@@H]1O ZINC000925214277 620560588 /nfs/dbraw/zinc/56/05/88/620560588.db2.gz YVYORZFNMSLXLI-MCAJLIOHSA-N 2 0 266.429 1.857 10 0 CDAERP C[NH+](C)[C@@H]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1(C)C ZINC000898103079 621336588 /nfs/dbraw/zinc/33/65/88/621336588.db2.gz RVHNXQKTBIUKAV-CHWSQXEVSA-N 2 0 267.417 1.316 10 0 CDAERP COC1CC[NH+](C(C)(C)CNC(=[NH2+])N[C@H](C)C2CC2)CC1 ZINC000899267918 622145470 /nfs/dbraw/zinc/14/54/70/622145470.db2.gz YKNNRDWICXVQQV-GFCCVEGCSA-N 2 0 296.459 1.788 10 0 CDAERP C1C[NH2+][C@H](c2noc([C@@H]3CC[NH2+][C@H]([C@@H]4CCCO4)C3)n2)C1 ZINC000900010224 622632527 /nfs/dbraw/zinc/63/25/27/622632527.db2.gz PRDZPANOHHNRAU-VOAKCMCISA-N 2 0 292.383 1.509 10 0 CDAERP CN1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H](c2ccccc2)C1 ZINC000900065096 622682253 /nfs/dbraw/zinc/68/22/53/622682253.db2.gz CKHKAZMNVCJVCH-INIZCTEOSA-N 2 0 299.418 1.598 10 0 CDAERP C[NH+](C)C[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC000900564366 623235928 /nfs/dbraw/zinc/23/59/28/623235928.db2.gz URDDPXWKDOJHDH-CYBMUJFWSA-N 2 0 265.401 1.025 10 0 CDAERP CC(=O)N1CC[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)c2ccccc2C1 ZINC000902483800 624890808 /nfs/dbraw/zinc/89/08/08/624890808.db2.gz CIEGPIXCTQGSAA-QRTARXTBSA-N 2 0 287.407 1.807 10 0 CDAERP c1[nH+]cn2cc(C[NH2+][C@@H]3CCO[C@@]34CCOC4)ccc12 ZINC000903184427 625883195 /nfs/dbraw/zinc/88/31/95/625883195.db2.gz XROYWXCEHPCSKM-HUUCEWRRSA-N 2 0 273.336 1.372 10 0 CDAERP Cc1nc([C@@H]2CC[N@H+](CC3CC[NH2+]CC3)C2)no1 ZINC000903415285 625986631 /nfs/dbraw/zinc/98/66/31/625986631.db2.gz IVWUGBVKYGWJMR-GFCCVEGCSA-N 2 0 250.346 1.167 10 0 CDAERP CCC[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CCS(=O)(=O)C1 ZINC000903427399 625989183 /nfs/dbraw/zinc/98/91/83/625989183.db2.gz YUVKXGKYHIXHCR-AGIUHOORSA-N 2 0 274.430 1.013 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@@H](Nc3ncccn3)C2)C1 ZINC000903460416 625995591 /nfs/dbraw/zinc/99/55/91/625995591.db2.gz BCBAGFFKCWLERV-YNEHKIRRSA-N 2 0 261.373 1.090 10 0 CDAERP Cc1nc(CN2CC[NH+](C[C@@H]3CC[C@H]([NH3+])C3)CC2)oc1C ZINC000903443872 625998195 /nfs/dbraw/zinc/99/81/95/625998195.db2.gz LJVLXTJVEPSCMJ-CABCVRRESA-N 2 0 292.427 1.536 10 0 CDAERP C[C@@H](N1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1)C(F)(F)F ZINC000903445148 625998378 /nfs/dbraw/zinc/99/83/78/625998378.db2.gz HMIREVILNKYBSB-UTUOFQBUSA-N 2 0 279.350 1.682 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000903453688 626001255 /nfs/dbraw/zinc/00/12/55/626001255.db2.gz IBKJVANUMCFELM-CBBWQLFWSA-N 3 0 251.418 1.306 10 0 CDAERP COC(=O)[C@H]1CC12CC[NH+](C[C@@H]1C[NH2+]C[C@H]1C)CC2 ZINC000903455170 626002063 /nfs/dbraw/zinc/00/20/63/626002063.db2.gz SDFYTNHKFRJFKU-FRRDWIJNSA-N 2 0 266.385 1.117 10 0 CDAERP C[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCN1CC(F)(F)F ZINC000903457056 626002560 /nfs/dbraw/zinc/00/25/60/626002560.db2.gz LYQSHEYOCFBIJX-TUAOUCFPSA-N 2 0 279.350 1.682 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903476512 626005224 /nfs/dbraw/zinc/00/52/24/626005224.db2.gz ZCWPDNKRGUNPJT-IPYPFGDCSA-N 3 0 253.434 1.811 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903476513 626005402 /nfs/dbraw/zinc/00/54/02/626005402.db2.gz ZCWPDNKRGUNPJT-VNHYZAJKSA-N 3 0 253.434 1.811 10 0 CDAERP C(C[NH2+][C@@H]1CC[NH2+]C12CCCC2)CO[C@@H]1CCOC1 ZINC000903484214 626007323 /nfs/dbraw/zinc/00/73/23/626007323.db2.gz PREOZRCODGSTJE-ZIAGYGMSSA-N 2 0 268.401 1.446 10 0 CDAERP C(C[C@@H]1CCC[NH2+]C1)[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903485018 626007550 /nfs/dbraw/zinc/00/75/50/626007550.db2.gz YJBSSNKIQOBKGZ-UONOGXRCSA-N 3 0 251.418 1.640 10 0 CDAERP CCN(C(=O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1)c1ccccc1 ZINC000903494926 626011463 /nfs/dbraw/zinc/01/14/63/626011463.db2.gz QZRMREKXYUNOLI-HUUCEWRRSA-N 2 0 289.423 1.956 10 0 CDAERP CC[C@@H]1C[C@H]1C[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903494946 626011620 /nfs/dbraw/zinc/01/16/20/626011620.db2.gz RRQGLCDKNRYWEI-KDBYPZKRSA-N 2 0 266.385 1.245 10 0 CDAERP [NH3+]CCOCC[N@@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000903565195 626021361 /nfs/dbraw/zinc/02/13/61/626021361.db2.gz FWOWDYSPRHBKGM-LBPRGKRZSA-N 2 0 269.414 1.373 10 0 CDAERP Cc1cn(C)nc1C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000903765064 626083562 /nfs/dbraw/zinc/08/35/62/626083562.db2.gz XSVXQNFAVQVHAC-ZDUSSCGKSA-N 2 0 262.401 1.693 10 0 CDAERP CCCC[N@H+](CC)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903872027 626126850 /nfs/dbraw/zinc/12/68/50/626126850.db2.gz BCLTYBXYKFVITJ-CYBMUJFWSA-N 2 0 265.405 1.825 10 0 CDAERP COC(=O)[C@@H](C)[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCC1 ZINC000903914520 626134311 /nfs/dbraw/zinc/13/43/11/626134311.db2.gz IMWMUWYIDHAXQP-RLAWYHOSSA-N 2 0 280.412 1.933 10 0 CDAERP COC(=O)CC1([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCOCC1 ZINC000903903025 626139870 /nfs/dbraw/zinc/13/98/70/626139870.db2.gz RAEDDHOGQHGZAX-AGUYFDCRSA-N 2 0 296.411 1.219 10 0 CDAERP [NH3+][C@@H](CC(F)F)CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000903932352 626152548 /nfs/dbraw/zinc/15/25/48/626152548.db2.gz BMJPTOKKUJASPX-STQMWFEESA-N 2 0 275.387 1.681 10 0 CDAERP [NH3+][C@@H](CC(F)F)CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000903934228 626153444 /nfs/dbraw/zinc/15/34/44/626153444.db2.gz DZBGBMIOLWCBSE-STQMWFEESA-N 2 0 291.386 1.059 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[NH+]2CCC(F)CC2)cnn1C ZINC000903937120 626155043 /nfs/dbraw/zinc/15/50/43/626155043.db2.gz BPVJXJLGQPMRQV-GFCCVEGCSA-N 2 0 268.380 1.280 10 0 CDAERP CC(C)(/C=C\Cl)[NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000903987960 626174764 /nfs/dbraw/zinc/17/47/64/626174764.db2.gz LLTCRYQVCSNIRQ-GZTOBOFZSA-N 2 0 273.808 1.304 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)C[C@@]1(O)CCC[NH+](C)C1 ZINC000908256725 628082912 /nfs/dbraw/zinc/08/29/12/628082912.db2.gz GUUBABOVDCZECM-ZBFHGGJFSA-N 2 0 299.459 1.070 10 0 CDAERP C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000912802631 630224421 /nfs/dbraw/zinc/22/44/21/630224421.db2.gz FFONZRGCNAADBL-PMPSAXMXSA-N 2 0 295.471 1.907 10 0 CDAERP O=C(CNc1ccccn1)N1CCC([NH+]2CCC2)CC1 ZINC000912871726 630257741 /nfs/dbraw/zinc/25/77/41/630257741.db2.gz ZUZVRUNARVVHQO-UHFFFAOYSA-N 2 0 274.368 1.190 10 0 CDAERP C[C@@H](C(=O)N1CC[C@@H]([NH+]2CCC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000912917905 630286065 /nfs/dbraw/zinc/28/60/65/630286065.db2.gz PSMJYAYJUMTUBT-LJISPDSOSA-N 2 0 279.428 1.554 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)CC[N@@H+]1C ZINC000913272843 630425869 /nfs/dbraw/zinc/42/58/69/630425869.db2.gz BLRGLJCBJDSNGE-VDERGJSUSA-N 2 0 279.428 1.127 10 0 CDAERP C[C@H](C(=O)NC12CC[NH+](CC1)C2)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000913629149 630719205 /nfs/dbraw/zinc/71/92/05/630719205.db2.gz ZAJADPMXJIYUCP-FRRDWIJNSA-N 2 0 265.401 1.212 10 0 CDAERP O=C(NC12CC[NH+](CC1)C2)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000913636837 630722948 /nfs/dbraw/zinc/72/29/48/630722948.db2.gz WIOIHLFWGICZCK-UHFFFAOYSA-N 2 0 298.390 1.869 10 0 CDAERP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)C2(O)CCCC2)C1 ZINC000929762316 630827847 /nfs/dbraw/zinc/82/78/47/630827847.db2.gz DUAXGGMYBRIOJT-JKSUJKDBSA-N 2 0 296.455 1.316 10 0 CDAERP COCC[N@@H+]1CCC[C@H]1CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925474594 632698998 /nfs/dbraw/zinc/69/89/98/632698998.db2.gz CTVUVRRBOIEFJL-FZKCQIBNSA-N 2 0 295.471 1.463 10 0 CDAERP CCCC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)C(C)C ZINC001691763415 1159018933 /nfs/dbraw/zinc/01/89/33/1159018933.db2.gz NZRUUDOZCKXTMN-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CCCC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001670470465 1158614196 /nfs/dbraw/zinc/61/41/96/1158614196.db2.gz UNEBJWVHWYMMIP-BPLDGKMQSA-N 2 0 281.444 1.611 10 0 CDAERP CCCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001267129627 1159131961 /nfs/dbraw/zinc/13/19/61/1159131961.db2.gz UKBOTXNGJNGXJV-DZGCQCFKSA-N 2 0 281.444 1.613 10 0 CDAERP CN(CC[NH2+]CCCF)C(=O)C12CCC[NH+](CCC1)C2 ZINC001267389931 1159364411 /nfs/dbraw/zinc/36/44/11/1159364411.db2.gz HUJSMOOQCNLNKS-UHFFFAOYSA-N 2 0 285.407 1.270 10 0 CDAERP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)CCC12CC(C1)C[NH2+]2 ZINC000870921070 1165233924 /nfs/dbraw/zinc/23/39/24/1165233924.db2.gz LEOBVTNKJUKORV-TUBUQKNSSA-N 2 0 293.455 1.707 10 0 CDAERP CC[C@@H](C)[C@H](C)[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC001619575990 1165647885 /nfs/dbraw/zinc/64/78/85/1165647885.db2.gz IBDSWDXPJTZFBK-OLZOCXBDSA-N 2 0 255.406 1.127 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)N2CC([NH+](C)C)C2)CC1 ZINC001633190351 1166407365 /nfs/dbraw/zinc/40/73/65/1166407365.db2.gz RGNJGCVIDMMEOT-UHFFFAOYSA-N 2 0 267.417 1.127 10 0 CDAERP COCCCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1C ZINC001275592271 1166690032 /nfs/dbraw/zinc/69/00/32/1166690032.db2.gz IGRKNLLXSNUHGQ-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)(C)[NH2+]CCNC(=O)[C@H]1CCN(c2cc[nH+]cc2)C1 ZINC001638372153 1166842608 /nfs/dbraw/zinc/84/26/08/1166842608.db2.gz WDKKKJSNIRMXJH-ZDUSSCGKSA-N 2 0 290.411 1.412 10 0 CDAERP [NH3+][C@H]1CCCC[C@@H]1C(=O)NCCC[NH+]1CCCC1 ZINC000062073425 1167836567 /nfs/dbraw/zinc/83/65/67/1167836567.db2.gz FCILLSZQWKSPLZ-STQMWFEESA-N 2 0 253.390 1.106 10 0 CDAERP CC[N@H+](C)CCOCCN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001566059131 1168101378 /nfs/dbraw/zinc/10/13/78/1168101378.db2.gz GWXDEWDUUFWPRQ-OAHLLOKOSA-N 2 0 299.459 1.286 10 0 CDAERP C[N@H+](CCCO)C1CC[NH+](CC2CCC(O)CC2)CC1 ZINC001647211473 1168453676 /nfs/dbraw/zinc/45/36/76/1168453676.db2.gz CRTRIFBBRGPKIV-UHFFFAOYSA-N 2 0 284.444 1.316 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH2+]CCF)C2)CC[N@@H+]1C ZINC001566893352 1168459161 /nfs/dbraw/zinc/45/91/61/1168459161.db2.gz FVQVKBVJTYXXOV-MGPQQGTHSA-N 2 0 285.407 1.124 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)[C@@H](C)C[NH2+]CC=C(C)C ZINC001568310914 1169237916 /nfs/dbraw/zinc/23/79/16/1169237916.db2.gz IMJFBYJAQNJPDC-AWEZNQCLSA-N 2 0 269.433 1.731 10 0 CDAERP O=C(C[NH+]1CCCC1)NC/C=C\C[NH2+]C/C=C\Cl ZINC001568964248 1169566487 /nfs/dbraw/zinc/56/64/87/1169566487.db2.gz PNGFIRPNYVWUCF-YMPRJYOMSA-N 2 0 271.792 1.097 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]CCCF)CC1 ZINC001569028141 1169601904 /nfs/dbraw/zinc/60/19/04/1169601904.db2.gz GSVUBLKIABCQOP-CYBMUJFWSA-N 2 0 287.423 1.561 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001569374604 1169827098 /nfs/dbraw/zinc/82/70/98/1169827098.db2.gz MVUHZENAWOBIFZ-FZZYSBJUSA-N 2 0 293.455 1.875 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CC[C@](C)(C[NH2+]CCF)C2)CC[N@@H+]1C ZINC001569669201 1169962824 /nfs/dbraw/zinc/96/28/24/1169962824.db2.gz JHWQVUZVJZVTLE-UMVBOHGHSA-N 2 0 285.407 1.124 10 0 CDAERP CC[C@H](C)C[NH2+]CC[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001570000022 1170056511 /nfs/dbraw/zinc/05/65/11/1170056511.db2.gz HAKAPWUPZAMNGZ-GJZGRUSLSA-N 2 0 283.460 1.812 10 0 CDAERP CCOCC[NH+]1CC([C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001570860062 1170304364 /nfs/dbraw/zinc/30/43/64/1170304364.db2.gz LKPDQTIQYIILJF-HIFRSBDPSA-N 2 0 299.459 1.046 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CCF)C1 ZINC001661793921 1172447985 /nfs/dbraw/zinc/44/79/85/1172447985.db2.gz UGZMYSQNCJVZFH-ZIAGYGMSSA-N 2 0 285.407 1.268 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCF ZINC001661925745 1172468023 /nfs/dbraw/zinc/46/80/23/1172468023.db2.gz MIFQZHWUAVXHPI-LSDHHAIUSA-N 2 0 299.434 1.801 10 0 CDAERP CC[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC(C)C ZINC001665872051 1173078147 /nfs/dbraw/zinc/07/81/47/1173078147.db2.gz NQKZWRMGQRHOCC-ZIAGYGMSSA-N 2 0 269.433 1.469 10 0 CDAERP C[C@@H](CC[NH2+]Cc1ccon1)NC(=O)C[N@H+](C)C1CCC1 ZINC001668092103 1173368125 /nfs/dbraw/zinc/36/81/25/1173368125.db2.gz JECPEKXUDRJBCJ-LBPRGKRZSA-N 2 0 294.399 1.143 10 0 CDAERP C[C@@H](CC[NH2+]CCC1CC1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001668113517 1173371209 /nfs/dbraw/zinc/37/12/09/1173371209.db2.gz WRYJRBJRVBEQNW-ZFWWWQNUSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cnc(C)o1)[NH+](C)C ZINC001668279060 1173391831 /nfs/dbraw/zinc/39/18/31/1173391831.db2.gz OFYHWRKRVBPWRX-SMDDNHRTSA-N 2 0 296.415 1.308 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CCF ZINC001669075468 1173503067 /nfs/dbraw/zinc/50/30/67/1173503067.db2.gz RICKSEHVIWZXDR-NNTXTVRGSA-N 2 0 285.407 1.481 10 0 CDAERP C[C@@H](C[NH2+]C/C=C\Cl)NC(=O)CCC[NH+]1CCCC1 ZINC001669751297 1173594261 /nfs/dbraw/zinc/59/42/61/1173594261.db2.gz ZVSFSRKSXUYUGY-VGVVRCBHSA-N 2 0 287.835 1.709 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CC=C(C)C)[NH+](C)C ZINC001669882084 1173624789 /nfs/dbraw/zinc/62/47/89/1173624789.db2.gz AICROUPKVQTHNT-KBPBESRZSA-N 2 0 269.433 1.729 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC1CC1 ZINC001674780178 1174008853 /nfs/dbraw/zinc/00/88/53/1174008853.db2.gz KMYVTLUWPZMMCR-RYUDHWBXSA-N 2 0 255.406 1.219 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH+](CC2CCC2)C2CC2)C1 ZINC001690014625 1175346729 /nfs/dbraw/zinc/34/67/29/1175346729.db2.gz KKKSZXNJHUQUFI-OAHLLOKOSA-N 2 0 293.455 1.709 10 0 CDAERP C[N@H+](CC(=O)N1CCC[C@@H](C[NH2+]CCCF)C1)C1CCC1 ZINC001690409694 1175465452 /nfs/dbraw/zinc/46/54/52/1175465452.db2.gz RWBGYMZKAJZBFI-AWEZNQCLSA-N 2 0 299.434 1.659 10 0 CDAERP C[N@@H+]1CCC[C@@H]2CN(c3cc[nH+]cc3CO)CC[C@@H]21 ZINC000126546019 1175476384 /nfs/dbraw/zinc/47/63/84/1175476384.db2.gz XIUYBXOBFDUFKU-OCCSQVGLSA-N 2 0 261.369 1.494 10 0 CDAERP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]CCC1CC1 ZINC001690880022 1175599365 /nfs/dbraw/zinc/59/93/65/1175599365.db2.gz YIBWMILKOAYVGQ-CYBMUJFWSA-N 2 0 267.417 1.367 10 0 CDAERP CC(C)=CC[N@@H+]1CC[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001691924152 1175652276 /nfs/dbraw/zinc/65/22/76/1175652276.db2.gz HRYNWXPIDHFXAQ-INIZCTEOSA-N 2 0 293.455 1.877 10 0 CDAERP CC[C@@H](C(=O)NCC1C[NH+](CC2=CCCCC2)C1)[NH+](C)C ZINC001692334964 1175739712 /nfs/dbraw/zinc/73/97/12/1175739712.db2.gz CQPPEILUCMYQNJ-INIZCTEOSA-N 2 0 293.455 1.875 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001698573771 1175850807 /nfs/dbraw/zinc/85/08/07/1175850807.db2.gz CZQKVUAKUQKZEF-DKLOGILVSA-N 2 0 293.455 1.827 10 0 CDAERP CCC[NH2+]CC[C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001698681809 1175894431 /nfs/dbraw/zinc/89/44/31/1175894431.db2.gz FJCKHTISPNMEBE-JKSUJKDBSA-N 2 0 295.471 1.957 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)C[NH2+]CCF)C1 ZINC001698760543 1175921692 /nfs/dbraw/zinc/92/16/92/1175921692.db2.gz LCMXXFFMTQWLHN-ZIAGYGMSSA-N 2 0 287.423 1.420 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]CCC(C)(C)C ZINC001698771739 1175926641 /nfs/dbraw/zinc/92/66/41/1175926641.db2.gz FSNMJYHOFIMZAX-KBPBESRZSA-N 2 0 283.460 1.716 10 0 CDAERP CC[NH2+]C1(CNC(=O)CCCC[NH+](C)C)CCCC1 ZINC001698805366 1175940476 /nfs/dbraw/zinc/94/04/76/1175940476.db2.gz FIYOJULIWWAJMU-UHFFFAOYSA-N 2 0 269.433 1.757 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]C(C)C ZINC001698823393 1175950736 /nfs/dbraw/zinc/95/07/36/1175950736.db2.gz GBAOXKFPRKVUKR-ZIAGYGMSSA-N 2 0 269.433 1.706 10 0 CDAERP C[C@@H](C[NH2+]C/C=C/Cl)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001698844852 1175960394 /nfs/dbraw/zinc/96/03/94/1175960394.db2.gz RFEIDIBRIAYWQL-NTYUQYKDSA-N 2 0 287.835 1.517 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001698890067 1175978255 /nfs/dbraw/zinc/97/82/55/1175978255.db2.gz CSSWRMAWMQRRTA-CABCVRRESA-N 2 0 295.471 1.955 10 0 CDAERP Cc1noc(C)c1C[NH2+]C/C=C/CNC(=O)CC[NH+](C)C ZINC001699296697 1176204431 /nfs/dbraw/zinc/20/44/31/1176204431.db2.gz BMHUAXTZIRVDPU-AATRIKPKSA-N 2 0 294.399 1.005 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NC/C=C\C[NH2+]CC2CCCCC2)C1 ZINC001699342169 1176270418 /nfs/dbraw/zinc/27/04/18/1176270418.db2.gz FBLCVMMHIMYARZ-OGZRUICASA-N 2 0 293.455 1.780 10 0 CDAERP CCCC[NH2+]C[C@@]1(C)CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001699848512 1176655182 /nfs/dbraw/zinc/65/51/82/1176655182.db2.gz PUFIQMCFBXHBPF-QGZVFWFLSA-N 2 0 295.471 1.957 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001713173793 1178412218 /nfs/dbraw/zinc/41/22/18/1178412218.db2.gz RBPVQVLNUIUQDE-ZOBUZTSGSA-N 2 0 293.455 1.899 10 0 CDAERP CC[C@@H](C)C[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001713316719 1178493258 /nfs/dbraw/zinc/49/32/58/1178493258.db2.gz XOKAEAMVERBKCG-OLZOCXBDSA-N 2 0 269.433 1.611 10 0 CDAERP CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001713354020 1178516434 /nfs/dbraw/zinc/51/64/34/1178516434.db2.gz FYLSYAMNBBVTSU-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[N@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001713469963 1178587672 /nfs/dbraw/zinc/58/76/72/1178587672.db2.gz GOLJLWXRKLTKLO-KGLIPLIRSA-N 2 0 267.417 1.461 10 0 CDAERP CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000161110803 1178645483 /nfs/dbraw/zinc/64/54/83/1178645483.db2.gz CFAIFXSSRCUUFZ-ZIAGYGMSSA-N 2 0 267.417 1.352 10 0 CDAERP CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CCC[C@@H](C)O)[NH+](C)C ZINC001714348817 1179099232 /nfs/dbraw/zinc/09/92/32/1179099232.db2.gz YQMOHIMGVMRNIA-KFWWJZLASA-N 2 0 299.459 1.068 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+]CCC(F)(F)F ZINC001714426995 1179133517 /nfs/dbraw/zinc/13/35/17/1179133517.db2.gz FWFGVCQIOJPDEG-JTQLQIEISA-N 2 0 283.338 1.232 10 0 CDAERP C[C@H](C[NH2+]CCC(F)(F)F)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001714566019 1179220794 /nfs/dbraw/zinc/22/07/94/1179220794.db2.gz VJIOHSJAIDHBRE-GHMZBOCLSA-N 2 0 295.349 1.470 10 0 CDAERP CCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001714616988 1179267574 /nfs/dbraw/zinc/26/75/74/1179267574.db2.gz FRCYRJSKLWFUOX-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP CCC[N@H+](C)CC(=O)NCC1C[NH+](CC=C(C)C)C1 ZINC001714979265 1179488737 /nfs/dbraw/zinc/48/87/37/1179488737.db2.gz XFNROQNMRCXAJQ-UHFFFAOYSA-N 2 0 267.417 1.342 10 0 CDAERP CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001715002668 1179499921 /nfs/dbraw/zinc/49/99/21/1179499921.db2.gz DBZVXQMSAQHDNV-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP CCC[NH2+]C[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001715241769 1179593392 /nfs/dbraw/zinc/59/33/92/1179593392.db2.gz XEKAZXFHLCFZHL-CYBMUJFWSA-N 2 0 267.417 1.367 10 0 CDAERP C[C@@H](C[NH2+]CCC1CCOCC1)N(C)C(=O)CC[NH+](C)C ZINC001715351737 1179637886 /nfs/dbraw/zinc/63/78/86/1179637886.db2.gz GJXBTYPRXFUAOB-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001715381731 1179651303 /nfs/dbraw/zinc/65/13/03/1179651303.db2.gz DESSPAYUDQCDCI-MGPQQGTHSA-N 2 0 269.433 1.467 10 0 CDAERP Cc1cc(C[NH2+]CC[C@@H](C)NC(=O)C[NH+]2CCCC2)no1 ZINC001715709454 1179771162 /nfs/dbraw/zinc/77/11/62/1179771162.db2.gz WDEZFLBKXQBPKL-GFCCVEGCSA-N 2 0 294.399 1.063 10 0 CDAERP CCCC[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C(C)C ZINC001715730207 1179782340 /nfs/dbraw/zinc/78/23/40/1179782340.db2.gz PZNSSTFBCKAHRV-AWEZNQCLSA-N 2 0 269.433 1.613 10 0 CDAERP CC(C)COCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001716015204 1179988778 /nfs/dbraw/zinc/98/87/78/1179988778.db2.gz KLZMIUFPSDEOTG-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@@H](C)C[NH2+]CC[C@H](C)NC(=O)Cc1c[nH]cn1 ZINC001716177042 1180084185 /nfs/dbraw/zinc/08/41/85/1180084185.db2.gz SZSNUXZSOTVEBK-NEPJUHHUSA-N 2 0 266.389 1.483 10 0 CDAERP CCCCC[NH2+]C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001716403419 1180187674 /nfs/dbraw/zinc/18/76/74/1180187674.db2.gz UHIDVVAHJNNSHH-CQSZACIVSA-N 2 0 281.444 1.899 10 0 CDAERP CCC[NH2+][C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001717290040 1180605330 /nfs/dbraw/zinc/60/53/30/1180605330.db2.gz FPELUYBVWRCKFG-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@H](F)CC[N@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001717486917 1180702486 /nfs/dbraw/zinc/70/24/86/1180702486.db2.gz MHVAIKLIYSJVKP-RYUDHWBXSA-N 2 0 261.385 1.123 10 0 CDAERP CCC[N@@H+]1C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C(C)(C)C1 ZINC001717584789 1180750794 /nfs/dbraw/zinc/75/07/94/1180750794.db2.gz CSNCFDFCKBKRNN-STQMWFEESA-N 2 0 269.433 1.563 10 0 CDAERP CCCC[NH2+][C@H](C)[C@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001717618291 1180761535 /nfs/dbraw/zinc/76/15/35/1180761535.db2.gz ZKSCJTWQYXOBDD-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C[NH2+]CC2CC2)C1 ZINC001717879140 1180909884 /nfs/dbraw/zinc/90/98/84/1180909884.db2.gz LKDUWXZQLCRNAF-KGLIPLIRSA-N 2 0 267.417 1.223 10 0 CDAERP COCCC[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C(C)(C)C ZINC001717972443 1180952950 /nfs/dbraw/zinc/95/29/50/1180952950.db2.gz HFCAYYZESUKQLW-CQSZACIVSA-N 2 0 299.459 1.239 10 0 CDAERP Cc1ncc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCC[N@@H+]2C)o1 ZINC001722992479 1181507052 /nfs/dbraw/zinc/50/70/52/1181507052.db2.gz WTYLQJSEWHBPTF-AWEZNQCLSA-N 2 0 294.399 1.015 10 0 CDAERP CC(C)C[NH2+]CC[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001724727801 1181734292 /nfs/dbraw/zinc/73/42/92/1181734292.db2.gz UWQFLQBOTHHPON-HNNXBMFYSA-N 2 0 295.471 1.812 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001724999161 1181820276 /nfs/dbraw/zinc/82/02/76/1181820276.db2.gz RTZJHZBZJKKGDI-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CCCOC)CC[N@@H+]1C ZINC001725489267 1182022503 /nfs/dbraw/zinc/02/25/03/1182022503.db2.gz KDRVLMRKLDSSMB-QLFBSQMISA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001725517186 1182033960 /nfs/dbraw/zinc/03/39/60/1182033960.db2.gz GFIWSSCHDQKNMZ-KBPBESRZSA-N 2 0 267.417 1.341 10 0 CDAERP CC(C)OCCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001725570749 1182054372 /nfs/dbraw/zinc/05/43/72/1182054372.db2.gz XXKSMBQIWMPWOH-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP CCCCC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC001725575639 1182056589 /nfs/dbraw/zinc/05/65/89/1182056589.db2.gz PPBPALLQFBIDTF-HUUCEWRRSA-N 2 0 293.455 1.851 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@@H]2CC[C@H](C[NH2+]CCF)C2)CCC1 ZINC001725635611 1182079630 /nfs/dbraw/zinc/07/96/30/1182079630.db2.gz JFPYRFYSCJFDRZ-QWHCGFSZSA-N 2 0 285.407 1.315 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC=C(C)C)[C@H]1C ZINC001725694488 1182100242 /nfs/dbraw/zinc/10/02/42/1182100242.db2.gz ZOGMJDQWHBXZQR-HUUCEWRRSA-N 2 0 281.444 1.873 10 0 CDAERP CC1CC(C[N@H+](C)CCCNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001731278436 1182289944 /nfs/dbraw/zinc/28/99/44/1182289944.db2.gz UDTVIMPMTIJFLE-HWOWSKLDSA-N 2 0 295.471 1.812 10 0 CDAERP O=C(CCCC[NH+]1CCCC1)N[C@H]1C[C@H]([NH2+]CCF)C1 ZINC001731462178 1182401028 /nfs/dbraw/zinc/40/10/28/1182401028.db2.gz YOXLROQMNMYSGT-HDJSIYSDSA-N 2 0 285.407 1.459 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001731492880 1182419300 /nfs/dbraw/zinc/41/93/00/1182419300.db2.gz JDLWUADKAXLRBZ-MCIONIFRSA-N 2 0 269.433 1.610 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001731600167 1182472653 /nfs/dbraw/zinc/47/26/53/1182472653.db2.gz TTWOWRVDMQLOFW-KBPBESRZSA-N 2 0 269.433 1.611 10 0 CDAERP COCCC[NH2+]CCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001731962631 1182701800 /nfs/dbraw/zinc/70/18/00/1182701800.db2.gz YQLPGRZQRZQAJH-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@H](C)C[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001731987411 1182715047 /nfs/dbraw/zinc/71/50/47/1182715047.db2.gz FKLAQASMERSAPF-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC([C@@H](C)[NH2+]CCOC)CC1 ZINC001732002808 1182720699 /nfs/dbraw/zinc/72/06/99/1182720699.db2.gz POZDUOUNULUZRU-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP CCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)CC ZINC001732149664 1182806613 /nfs/dbraw/zinc/80/66/13/1182806613.db2.gz WFUKQXIRNHKNET-GJZGRUSLSA-N 2 0 281.444 1.804 10 0 CDAERP CC/C=C\CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001732353058 1182922584 /nfs/dbraw/zinc/92/25/84/1182922584.db2.gz BXPXJOADWQHDKJ-JBZXTQMFSA-N 2 0 281.444 1.779 10 0 CDAERP C[C@H](C[NH2+]CCO)N(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001732428961 1182960397 /nfs/dbraw/zinc/96/03/97/1182960397.db2.gz NVDZSXZUCHMRFH-CYBMUJFWSA-N 2 0 299.459 1.068 10 0 CDAERP CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CCC[NH+](C)C ZINC001732539836 1183001100 /nfs/dbraw/zinc/00/11/00/1183001100.db2.gz HJJONDDIYPRIJW-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CCN(CC[NH2+]CC1CCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001732810857 1183133896 /nfs/dbraw/zinc/13/38/96/1183133896.db2.gz KQZOHQPATJNKKM-CQSZACIVSA-N 2 0 267.417 1.176 10 0 CDAERP C[NH+]1CCC(C(=O)NC/C=C\C[NH2+]CC2CCCC2)CC1 ZINC001732895823 1183175591 /nfs/dbraw/zinc/17/55/91/1183175591.db2.gz VEQDECNYBLGUEQ-PLNGDYQASA-N 2 0 293.455 1.780 10 0 CDAERP CN(CCC[NH2+]Cc1ccns1)C(=O)Cc1cnc[nH]1 ZINC001733128857 1183301159 /nfs/dbraw/zinc/30/11/59/1183301159.db2.gz PIHBAJNPGIJLJY-UHFFFAOYSA-N 2 0 293.396 1.047 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@](C)(C[NH2+]CCF)C1 ZINC001733427217 1183430035 /nfs/dbraw/zinc/43/00/35/1183430035.db2.gz OHSVKZWHUUUDIV-ZBFHGGJFSA-N 2 0 299.434 1.659 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@H](CC[NH2+]CC)C2)C1 ZINC001733661624 1183492266 /nfs/dbraw/zinc/49/22/66/1183492266.db2.gz RNOAWYJFFASSIP-HZPDHXFCSA-N 2 0 295.471 1.957 10 0 CDAERP CC[NH2+]C1(CC)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001733805648 1183537233 /nfs/dbraw/zinc/53/72/33/1183537233.db2.gz VECDOVDAIKSCIJ-UHFFFAOYSA-N 2 0 255.406 1.319 10 0 CDAERP CCC[NH2+]CCC[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001734240673 1183702196 /nfs/dbraw/zinc/70/21/96/1183702196.db2.gz LDMIPSHQAALLAV-ZDUSSCGKSA-N 2 0 269.433 1.755 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)NC[C@@H](C)C[NH2+]C ZINC001771762176 1186864119 /nfs/dbraw/zinc/86/41/19/1186864119.db2.gz RVZSBWUDIUPPAG-LBPRGKRZSA-N 2 0 278.400 1.061 10 0 CDAERP C[C@@H]1C[C@H]2CC[C@H](C(=O)N[C@@H]3CCC[C@H]3[NH+](C)C)C[N@@H+]2C1 ZINC001772435015 1187230036 /nfs/dbraw/zinc/23/00/36/1187230036.db2.gz GGNVWQMMLOXBFH-YIDVYQOGSA-N 2 0 293.455 1.706 10 0 CDAERP C[C@@H]1C[C@H]1NC(=[NH2+])NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000864464369 1164548115 /nfs/dbraw/zinc/54/81/15/1164548115.db2.gz BBQFNJPBLVAILR-KGYLQXTDSA-N 2 0 250.390 1.526 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCCN2CCCCC2=O)C1 ZINC000925549990 730424608 /nfs/dbraw/zinc/42/46/08/730424608.db2.gz OSBJJZSYTGTYSH-KBPBESRZSA-N 2 0 281.444 1.885 10 0 CDAERP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000713003364 730430882 /nfs/dbraw/zinc/43/08/82/730430882.db2.gz KTSKQSRFXMPXDI-WTUNAVPPSA-N 2 0 281.444 1.737 10 0 CDAERP CN1C[C@@]2(C)C[NH+](CC3CCOCC3)C[C@]2(C)C1 ZINC000931308047 730437975 /nfs/dbraw/zinc/43/79/75/730437975.db2.gz REFGSVGVRBKVCU-GJZGRUSLSA-N 2 0 252.402 1.687 10 0 CDAERP Cc1cnc([C@H](C)[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)o1 ZINC000923451283 730443118 /nfs/dbraw/zinc/44/31/18/730443118.db2.gz KYFDOKNZYAKYFZ-QWHCGFSZSA-N 2 0 279.384 1.874 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](CNC2=[NH+]CCCCN2)C1 ZINC000849217725 730445189 /nfs/dbraw/zinc/44/51/89/730445189.db2.gz NHMVVPYQNCALCB-ZDUSSCGKSA-N 2 0 252.406 1.293 10 0 CDAERP Cc1csc(C[C@@H]2CC[N@H+](C[C@@H]3CC[NH2+]C3)C2)n1 ZINC000923551215 730445556 /nfs/dbraw/zinc/44/55/56/730445556.db2.gz LBPMHAHLGPWCDK-QWHCGFSZSA-N 2 0 265.426 1.925 10 0 CDAERP C[C@@H](CNC(=O)CC[C@H]1CCC[NH2+]1)[NH+]1CCCCC1 ZINC000311725527 730446177 /nfs/dbraw/zinc/44/61/77/730446177.db2.gz QCWMCODLFGMYJD-UONOGXRCSA-N 2 0 267.417 1.509 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711272479 730451509 /nfs/dbraw/zinc/45/15/09/730451509.db2.gz IHGNWQUILYEFMW-STQMWFEESA-N 2 0 267.417 1.175 10 0 CDAERP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000925556834 730455911 /nfs/dbraw/zinc/45/59/11/730455911.db2.gz MOTZLHGTYWMLAR-QMPXSYISSA-N 2 0 296.455 1.625 10 0 CDAERP C[C@@H]1C[N@H+](Cc2ccc3oc(=O)n(C)c3c2)CC[C@H]1C[NH3+] ZINC000923489287 730460835 /nfs/dbraw/zinc/46/08/35/730460835.db2.gz IJYCIYLXTLMESA-YPMHNXCESA-N 2 0 289.379 1.548 10 0 CDAERP CC(C)COC[C@H](O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000923326962 730461865 /nfs/dbraw/zinc/46/18/65/730461865.db2.gz ABKKWFHEBBJDIO-BZUAXINKSA-N 2 0 284.444 1.484 10 0 CDAERP O[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000923366683 730462368 /nfs/dbraw/zinc/46/23/68/730462368.db2.gz OKQUYJXCAMDIAQ-DLBZAZTESA-N 2 0 274.408 1.666 10 0 CDAERP C[NH+]1CCC2(CC1)CC[NH+](CCO[C@H]1CCOC1)CC2 ZINC000931465973 730473491 /nfs/dbraw/zinc/47/34/91/730473491.db2.gz BFVHOUROJMKTJR-HNNXBMFYSA-N 2 0 282.428 1.600 10 0 CDAERP C(C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)CC1CCOCC1 ZINC000925677711 730478117 /nfs/dbraw/zinc/47/81/17/730478117.db2.gz AFWPAIZLXJAUOE-ZVDSWSACSA-N 2 0 264.413 1.779 10 0 CDAERP CN(CC[C@H]1CCCC[N@@H+]1C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923324725 730480734 /nfs/dbraw/zinc/48/07/34/730480734.db2.gz JRCFYUJPVRJNPR-HUUCEWRRSA-N 2 0 281.444 1.171 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1COc2ccccc2C1 ZINC000817892542 730514572 /nfs/dbraw/zinc/51/45/72/730514572.db2.gz UKQHATUKAXNLPR-HIFRSBDPSA-N 2 0 278.396 1.581 10 0 CDAERP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705233 730539403 /nfs/dbraw/zinc/53/94/03/730539403.db2.gz VTYOMZOUXSQXPO-SWLSCSKDSA-N 2 0 269.433 1.598 10 0 CDAERP CC1(C)C[NH2+]C[C@H]1C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000711381317 730546870 /nfs/dbraw/zinc/54/68/70/730546870.db2.gz JPGASOKTFSKHJX-KGLIPLIRSA-N 2 0 279.428 1.319 10 0 CDAERP Fc1cccc(F)c1CCCN1CC[NH2+]CC[NH2+]CC1 ZINC000923460821 730555316 /nfs/dbraw/zinc/55/53/16/730555316.db2.gz RQWIAHGPJDPDNK-UHFFFAOYSA-N 2 0 283.366 1.392 10 0 CDAERP CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923510664 730557379 /nfs/dbraw/zinc/55/73/79/730557379.db2.gz WHMCMAJPHHSBPM-RRFJBIMHSA-N 2 0 281.444 1.694 10 0 CDAERP CCC(CC)(C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)C(=O)OC ZINC000925647791 730629323 /nfs/dbraw/zinc/62/93/23/730629323.db2.gz HHALJXYCBRLQCY-NWDGAFQWSA-N 2 0 268.401 1.825 10 0 CDAERP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@H]1CC2(CO1)CCOCC2 ZINC000872141280 730643815 /nfs/dbraw/zinc/64/38/15/730643815.db2.gz BISQIZMSLSJMOI-KGLIPLIRSA-N 2 0 270.417 1.535 10 0 CDAERP CC(C)OC(=O)N1CCC([NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000848719597 730660757 /nfs/dbraw/zinc/66/07/57/730660757.db2.gz LANUOSSWHSJAHA-JSGCOSHPSA-N 2 0 283.416 1.855 10 0 CDAERP CSCC1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000719307708 730689367 /nfs/dbraw/zinc/68/93/67/730689367.db2.gz QAXQWULTSOQRIO-ZDUSSCGKSA-N 2 0 270.442 1.582 10 0 CDAERP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000870867205 730690432 /nfs/dbraw/zinc/69/04/32/730690432.db2.gz HRZDLDUMOKOMQV-NPCUJANDSA-N 2 0 293.455 1.598 10 0 CDAERP Cc1[nH]ccc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870020346 730724726 /nfs/dbraw/zinc/72/47/26/730724726.db2.gz NISJQQVAHYANEE-ZIAGYGMSSA-N 2 0 292.427 1.135 10 0 CDAERP CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000854232933 730753147 /nfs/dbraw/zinc/75/31/47/730753147.db2.gz UMKIPLGSZNZVJG-WDEREUQCSA-N 2 0 250.346 1.165 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)CC[N@@H+]1C ZINC000922259468 730852495 /nfs/dbraw/zinc/85/24/95/730852495.db2.gz ZGJUYQNRAQRGNX-RDBSUJKOSA-N 2 0 296.459 1.499 10 0 CDAERP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CN3C[C@@H]2CCC3)C1 ZINC000926574102 730864079 /nfs/dbraw/zinc/86/40/79/730864079.db2.gz SBYFLFGXYVZUMC-ILXRZTDVSA-N 2 0 251.418 1.402 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000925802943 730869432 /nfs/dbraw/zinc/86/94/32/730869432.db2.gz KIRFVPMFCFBSNO-OXGONZEZSA-N 3 0 265.445 1.694 10 0 CDAERP O=C1O[C@H](C[NH2+][C@@H]2CC[C@@H]2C2CCC2)CC12CC[NH2+]CC2 ZINC000925849323 730888996 /nfs/dbraw/zinc/88/89/96/730888996.db2.gz HZRXDJCWPYJDJL-RRFJBIMHSA-N 2 0 292.423 1.840 10 0 CDAERP CC1(C)CO[C@@H](CC[NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000717347750 730906464 /nfs/dbraw/zinc/90/64/64/730906464.db2.gz OPUYTGROEWJYAG-KBPBESRZSA-N 2 0 270.417 1.238 10 0 CDAERP C[C@@H](C(=O)NCC1CCCCC1)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923504695 730920052 /nfs/dbraw/zinc/92/00/52/730920052.db2.gz SYYVFSNEXANFLE-IJEWVQPXSA-N 2 0 295.471 1.988 10 0 CDAERP Cc1cc([C@H](C)[NH2+]CCCCCN2CC[NH2+]CC2)no1 ZINC000925846146 730934106 /nfs/dbraw/zinc/93/41/06/730934106.db2.gz KRQYGOVPHRCHAF-AWEZNQCLSA-N 2 0 280.416 1.709 10 0 CDAERP [NH3+]CCOc1ccc(NC(=O)C=C2CC[NH2+]CC2)cc1 ZINC000852874803 730940330 /nfs/dbraw/zinc/94/03/30/730940330.db2.gz CEBFKRAUYUQGRU-UHFFFAOYSA-N 2 0 275.352 1.272 10 0 CDAERP c1nnn2c1C[N@H+](CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)CCC2 ZINC000923423423 730956578 /nfs/dbraw/zinc/95/65/78/730956578.db2.gz ARXUWOGJHGAFHD-AGUYFDCRSA-N 2 0 275.400 1.405 10 0 CDAERP C[C@@H]1C[N@H+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CC[C@H]1C[NH3+] ZINC000720895194 730958700 /nfs/dbraw/zinc/95/87/00/730958700.db2.gz XNDRNGLTNAPHKO-QTVXIADOSA-N 2 0 252.402 1.861 10 0 CDAERP C[C@H](N[C@H]1C[C@H]([NH3+])CC(C)(C)C1)c1nnnn1C1CC1 ZINC000925733677 730970659 /nfs/dbraw/zinc/97/06/59/730970659.db2.gz LGPRVVGWMRHDDZ-DCAQKATOSA-N 2 0 278.404 1.565 10 0 CDAERP COC1(OC)CC[C@@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000926732450 730998147 /nfs/dbraw/zinc/99/81/47/730998147.db2.gz QCUHQQQTTWOLGD-HNNXBMFYSA-N 2 0 282.428 1.850 10 0 CDAERP CC1(C)[NH2+]CC[C@@H]1NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000925725466 731031091 /nfs/dbraw/zinc/03/10/91/731031091.db2.gz LAXQDVVJEWRFGZ-CABCVRRESA-N 2 0 261.413 1.677 10 0 CDAERP C[N@H+](CCCCCC[NH3+])CCCN1CCOCC1 ZINC000710818407 731034329 /nfs/dbraw/zinc/03/43/29/731034329.db2.gz JOODNYRAMCQJSW-UHFFFAOYSA-N 2 0 257.422 1.160 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCc2cccc(C(N)=O)c2)C1 ZINC000925592837 731035512 /nfs/dbraw/zinc/03/55/12/731035512.db2.gz JGKWNNCTLUMNHT-LSDHHAIUSA-N 2 0 289.423 1.824 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCC[NH+]1CCCCC1 ZINC000924624662 731040450 /nfs/dbraw/zinc/04/04/50/731040450.db2.gz RNBZWGYMFRZJBO-YIONKMFJSA-N 2 0 251.418 1.402 10 0 CDAERP CC(C)[C@H](CO)C[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000926422975 731045692 /nfs/dbraw/zinc/04/56/92/731045692.db2.gz WYRXVVJJYMJSGR-RRFJBIMHSA-N 2 0 254.418 1.857 10 0 CDAERP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)[C@@H]1CCCCO1 ZINC000847076823 731099524 /nfs/dbraw/zinc/09/95/24/731099524.db2.gz GBMHCOCHWCZGRF-KKUMJFAQSA-N 2 0 270.417 1.380 10 0 CDAERP C[NH+]1CCC(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)CC1 ZINC000709510076 731123694 /nfs/dbraw/zinc/12/36/94/731123694.db2.gz RCUPTHYYTKUNCO-JKSUJKDBSA-N 2 0 266.429 1.955 10 0 CDAERP CCCN(C(=O)N[C@@H]1CC[NH+](C)[C@H]1C)[C@@H]1CC[N@H+](C)C1 ZINC000925348763 731145558 /nfs/dbraw/zinc/14/55/58/731145558.db2.gz MXQLEOYZTMIJHF-BFHYXJOUSA-N 2 0 282.432 1.205 10 0 CDAERP CC(C)(C[NH3+])C1CC[NH+](CCN2CCOC2=O)CC1 ZINC000714390286 731200965 /nfs/dbraw/zinc/20/09/65/731200965.db2.gz CHIUSFJIYLYGAR-UHFFFAOYSA-N 2 0 269.389 1.136 10 0 CDAERP CCN(C(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1)c1ccccc1 ZINC000923505813 731208839 /nfs/dbraw/zinc/20/88/39/731208839.db2.gz CHHYXSALDCCTPN-HUUCEWRRSA-N 2 0 289.423 1.956 10 0 CDAERP [NH3+]CCCCCC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000037812712 731226508 /nfs/dbraw/zinc/22/65/08/731226508.db2.gz IKWRFWRSHBOAEZ-CYBMUJFWSA-N 2 0 253.390 1.202 10 0 CDAERP Cc1cc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)nn1C ZINC000926910993 731236715 /nfs/dbraw/zinc/23/67/15/731236715.db2.gz NNAKUEIQBILOLW-BZUAXINKSA-N 2 0 276.428 1.733 10 0 CDAERP CC(=O)NC1CCC([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000858120715 731262436 /nfs/dbraw/zinc/26/24/36/731262436.db2.gz KIPYCBHNHMDGKY-NRXISQOPSA-N 2 0 281.444 1.896 10 0 CDAERP Cc1cc(NC[C@@H]2Cc3ccccc3C[NH2+]2)cc[nH+]1 ZINC000721096817 731318979 /nfs/dbraw/zinc/31/89/79/731318979.db2.gz BMWZSPJVMSUVNK-INIZCTEOSA-N 2 0 253.349 1.938 10 0 CDAERP CC1(C)[C@H]([NH2+]C[C@@H](O)C2CCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925690260 731333815 /nfs/dbraw/zinc/33/38/15/731333815.db2.gz IRWYSWAQRVXNEH-YIYPIFLZSA-N 2 0 252.402 1.514 10 0 CDAERP C[C@H](CNC(=O)CC[C@H]1CCC[NH2+]1)[NH+]1CCCCC1 ZINC000311725529 731341562 /nfs/dbraw/zinc/34/15/62/731341562.db2.gz QCWMCODLFGMYJD-ZIAGYGMSSA-N 2 0 267.417 1.509 10 0 CDAERP CCc1ncc(CNC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)o1 ZINC000849038455 731348729 /nfs/dbraw/zinc/34/87/29/731348729.db2.gz OWJNTOAGXGWLRP-NSHDSACASA-N 2 0 279.388 1.335 10 0 CDAERP C[N@@H+]1CCC[C@]2(CCN(Cc3cnn(CCF)c3)C2)C1 ZINC000930577009 731360062 /nfs/dbraw/zinc/36/00/62/731360062.db2.gz OVHCLMXMOPBNNK-HNNXBMFYSA-N 2 0 280.391 1.770 10 0 CDAERP Cn1cncc1CC[NH2+][C@H](C1CCC1)[C@@H]1CCOC1 ZINC000926206137 731406425 /nfs/dbraw/zinc/40/64/25/731406425.db2.gz HFHQJLYLKJCJSJ-UKRRQHHQSA-N 2 0 263.385 1.757 10 0 CDAERP CC1(C)CO[C@H](CC[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000717334388 731423752 /nfs/dbraw/zinc/42/37/52/731423752.db2.gz ZIYJGZPBPUVUFT-UJOWSUJOSA-N 2 0 264.413 1.778 10 0 CDAERP CCN(CCC[NH+]1CCCC1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000925335768 731426861 /nfs/dbraw/zinc/42/68/61/731426861.db2.gz YHDMZFZIVDXCDM-CABCVRRESA-N 2 0 296.459 1.596 10 0 CDAERP [NH3+]CCC[N@H+](C[C@H](O)C(F)(F)F)CC1CCCC1 ZINC000923355133 731438520 /nfs/dbraw/zinc/43/85/20/731438520.db2.gz YYYVGORJWGGJDY-NSHDSACASA-N 2 0 268.323 1.751 10 0 CDAERP CCO[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)C[NH+](C)C ZINC000925833131 731441571 /nfs/dbraw/zinc/44/15/71/731441571.db2.gz FOWKSMYYVFTVIH-QBPKDAKJSA-N 2 0 297.487 1.854 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+]Cc1nc(CN(C)C)cs1 ZINC000722382019 731444719 /nfs/dbraw/zinc/44/47/19/731444719.db2.gz HBJIVOVALRWYIX-LLVKDONJSA-N 2 0 270.446 1.812 10 0 CDAERP C[NH+](C)C1(C(=O)N2CC[N@H+](C)C(C)(C)CC2)CCC1 ZINC000871154557 731523464 /nfs/dbraw/zinc/52/34/64/731523464.db2.gz HJTGTNYWPKIDOK-UHFFFAOYSA-N 2 0 267.417 1.413 10 0 CDAERP COC(=O)C1=CC[C@H]([NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)C1 ZINC000863543059 731613080 /nfs/dbraw/zinc/61/30/80/731613080.db2.gz VKINCSYERNIKHR-GWCFXTLKSA-N 2 0 289.379 1.761 10 0 CDAERP C[NH+](C)C[C@@H]1CN(C(=O)OCCCF)C[C@H]1C[NH+](C)C ZINC000867590994 1164841724 /nfs/dbraw/zinc/84/17/24/1164841724.db2.gz WHNIMHNNQTTWSO-CHWSQXEVSA-N 2 0 289.395 1.154 10 0 CDAERP CC1(C)OC[C@H]2C[C@]21[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000864049941 731629957 /nfs/dbraw/zinc/62/99/57/731629957.db2.gz PEQFBNPVQYECCJ-PBHICJAKSA-N 2 0 272.392 1.989 10 0 CDAERP CC(C)OC1(C[NH2+]C[C@H](O)C[NH+]2CCCC2)CCC1 ZINC000872244386 731672992 /nfs/dbraw/zinc/67/29/92/731672992.db2.gz JQFYDBBTVGBBFT-AWEZNQCLSA-N 2 0 270.417 1.380 10 0 CDAERP CC[NH+](CC)CC[C@H](CO)NC[C@@H](O)c1ccccc1F ZINC000843099643 731696437 /nfs/dbraw/zinc/69/64/37/731696437.db2.gz AVBHXPRLRJBCOH-CZUORRHYSA-N 2 0 298.402 1.542 10 0 CDAERP C[C@@H]1C[N@H+](CCc2ccc(C(N)=O)cc2)CC[C@H]1C[NH3+] ZINC000923491040 731752779 /nfs/dbraw/zinc/75/27/79/731752779.db2.gz QJSYHXCDOITZFC-DOMZBBRYSA-N 2 0 275.396 1.245 10 0 CDAERP CC(C)(C[NH2+][C@@H]1CCCN2CCCC[C@@H]12)[C@]1(O)CCOC1 ZINC000926635006 731766382 /nfs/dbraw/zinc/76/63/82/731766382.db2.gz BAMAXRDXHHVELJ-VYDXJSESSA-N 2 0 296.455 1.771 10 0 CDAERP C[NH2+]CC1CC[NH+](C[C@H](O)CC2CCCC2)CC1 ZINC000232148442 731787927 /nfs/dbraw/zinc/78/79/27/731787927.db2.gz LCEQRFMBCSXTFP-OAHLLOKOSA-N 2 0 254.418 1.859 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccco2)[C@@H]2CCC[C@@H]21 ZINC000796683751 731806203 /nfs/dbraw/zinc/80/62/03/731806203.db2.gz OLMSCEVAZZECOH-XUXIUFHCSA-N 2 0 264.369 1.775 10 0 CDAERP C[NH+](C)CC1CCC([NH2+]C[C@@H](O)c2ccc(F)cn2)CC1 ZINC000819184074 731807258 /nfs/dbraw/zinc/80/72/58/731807258.db2.gz AHGBHIOITBWHJG-LDZOIKDWSA-N 2 0 295.402 1.964 10 0 CDAERP C[NH2+]CCC[N@@H+]1CC[C@H](Cc2nc(C)cs2)C1 ZINC000923550951 731876248 /nfs/dbraw/zinc/87/62/48/731876248.db2.gz HOMIIFMLMGFOKV-GFCCVEGCSA-N 2 0 253.415 1.925 10 0 CDAERP C[N@@H+]1CC[C@H]1CNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000922291607 731930549 /nfs/dbraw/zinc/93/05/49/731930549.db2.gz DAXWKONYQVDHPW-MOKVOYLWSA-N 2 0 280.416 1.007 10 0 CDAERP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)C1 ZINC000723648104 731952404 /nfs/dbraw/zinc/95/24/04/731952404.db2.gz SUDQOYPXBZEOPZ-ARILJUKYSA-N 2 0 252.402 1.909 10 0 CDAERP OCCCCC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925654105 731967456 /nfs/dbraw/zinc/96/74/56/731967456.db2.gz PUHWRDKTKSXKSX-HUUCEWRRSA-N 2 0 254.418 1.907 10 0 CDAERP [NH3+]C1CCC([NH2+]C[C@@H]2CC[C@H](C(F)(F)F)O2)CC1 ZINC000722392186 732001146 /nfs/dbraw/zinc/00/11/46/732001146.db2.gz RFDXCRQVNKDDDI-WFBLGPOFSA-N 2 0 266.307 1.956 10 0 CDAERP CCN1CC[NH+](CCCC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925545261 732037696 /nfs/dbraw/zinc/03/76/96/732037696.db2.gz HTHOBVSOWBOCLB-JKSUJKDBSA-N 3 0 294.487 1.264 10 0 CDAERP C[N@@H+]1C[C@@]2(C)CN(C[C@H]3CC4(CC4)C(=O)O3)C[C@@]2(C)C1 ZINC000931314438 732041263 /nfs/dbraw/zinc/04/12/63/732041263.db2.gz OPUPJRQDLMDSOW-YUELXQCFSA-N 2 0 278.396 1.356 10 0 CDAERP C[NH+](C)Cc1cc(C[NH2+]C[C@H](O)CC(C)(C)O)ccc1F ZINC000872201758 732047990 /nfs/dbraw/zinc/04/79/90/732047990.db2.gz IKNOAKKVLPFZIZ-CQSZACIVSA-N 2 0 298.402 1.499 10 0 CDAERP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000924752510 732064939 /nfs/dbraw/zinc/06/49/39/732064939.db2.gz BESHMNMHIKSLFN-ILXRZTDVSA-N 2 0 270.417 1.094 10 0 CDAERP CC(C)(C[NH3+])C1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000714478279 732094221 /nfs/dbraw/zinc/09/42/21/732094221.db2.gz IIKULFFRRKKZLR-UHFFFAOYSA-N 2 0 281.444 1.696 10 0 CDAERP Cc1nccn1C[C@H](C)OC(=O)CN(C)[C@@H]1CCSC1 ZINC000810620252 732096862 /nfs/dbraw/zinc/09/68/62/732096862.db2.gz FOZGAOUORUSZDK-WCQYABFASA-N 2 0 297.424 1.561 10 0 CDAERP FC1(F)C[C@@]12CC[N@H+](C[C@@H]1CC3(C[NH2+]C3)CO1)C2 ZINC000923393855 732137662 /nfs/dbraw/zinc/13/76/62/732137662.db2.gz ZLQDGZJXROFPLN-CMPLNLGQSA-N 2 0 258.312 1.096 10 0 CDAERP CO[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CN2CCC[C@H]2CO1 ZINC000385968182 732158320 /nfs/dbraw/zinc/15/83/20/732158320.db2.gz PQVNLMPMKBEYRA-RFQIPJPRSA-N 2 0 254.374 1.007 10 0 CDAERP COC[C@H](C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)C(C)C ZINC000721963310 732178954 /nfs/dbraw/zinc/17/89/54/732178954.db2.gz RZKXVCKKKMNBGT-XQLPTFJDSA-N 2 0 254.418 1.964 10 0 CDAERP CN(C)c1cc[nH+]c(CNC(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000927695468 732187620 /nfs/dbraw/zinc/18/76/20/732187620.db2.gz MEHMTZHCWREXGK-LBPRGKRZSA-N 2 0 276.384 1.106 10 0 CDAERP C[C@H](C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1)[NH+](C)C ZINC000928829605 732189242 /nfs/dbraw/zinc/18/92/42/732189242.db2.gz KWURZDACFITRIK-OCCSQVGLSA-N 2 0 278.400 1.141 10 0 CDAERP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C=C1CC[NH2+]CC1 ZINC000852861539 732211119 /nfs/dbraw/zinc/21/11/19/732211119.db2.gz FNWZIKRGVAMBSW-RBSFLKMASA-N 2 0 293.455 1.779 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)Cn1cccn1 ZINC000858101879 732253275 /nfs/dbraw/zinc/25/32/75/732253275.db2.gz JCGQUTNSMYNWIB-ZIAGYGMSSA-N 2 0 264.417 1.982 10 0 CDAERP Cc1ccccc1[C@@H](O)C[NH2+]CCCN1CCC(O)CC1 ZINC000843061381 732282343 /nfs/dbraw/zinc/28/23/43/732282343.db2.gz FTMZTDHAIFRZDK-KRWDZBQOSA-N 2 0 292.423 1.465 10 0 CDAERP COC[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)C(C)C ZINC000925780401 732289002 /nfs/dbraw/zinc/28/90/02/732289002.db2.gz FPSVSPLCYSJLAX-GHMZBOCLSA-N 2 0 250.333 1.492 10 0 CDAERP C[NH+](C)[C@H](CNC(=[NH2+])NC[C@H]1CCCO1)C1CCCCC1 ZINC000066245341 732332630 /nfs/dbraw/zinc/33/26/30/732332630.db2.gz CECAFDPFECDMLQ-HUUCEWRRSA-N 2 0 296.459 1.580 10 0 CDAERP C[C@@H]([NH2+]CCOCC[NH2+][C@H](C)c1cn[nH]c1)c1cn[nH]c1 ZINC000778141059 732350174 /nfs/dbraw/zinc/35/01/74/732350174.db2.gz UNRYMHOQCUZTFN-VXGBXAGGSA-N 2 0 292.387 1.151 10 0 CDAERP CCS[C@@H]1CCCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923312290 732431267 /nfs/dbraw/zinc/43/12/67/732431267.db2.gz DEOMBECRKYYTRH-UONOGXRCSA-N 2 0 284.469 1.973 10 0 CDAERP C[C@@]1(CNC(=O)CCC23CC(C2)C[NH2+]3)CCC[NH2+]C1 ZINC000870939215 732432996 /nfs/dbraw/zinc/43/29/96/732432996.db2.gz MUXXZJXSMWWHKT-HNFVBEJKSA-N 2 0 265.401 1.025 10 0 CDAERP CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CCCCCC[NH3+])C1 ZINC000846224457 732486643 /nfs/dbraw/zinc/48/66/43/732486643.db2.gz XPDCMYFUBKWBAV-GFCCVEGCSA-N 2 0 295.349 1.506 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C1 ZINC000868187539 732485245 /nfs/dbraw/zinc/48/52/45/732485245.db2.gz MLXNZFFSKFLFBH-QLFBSQMISA-N 2 0 288.395 1.717 10 0 CDAERP C[N@@H+]1CC[C@H](NC[C@@H]2CN(C3CC3)C(=O)O2)CC1(C)C ZINC000858186292 732495588 /nfs/dbraw/zinc/49/55/88/732495588.db2.gz XMXYNIJVXUASFK-WCQYABFASA-N 2 0 281.400 1.432 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](CO)Cc2ccco2)C12CCC2 ZINC000925478745 732558260 /nfs/dbraw/zinc/55/82/60/732558260.db2.gz WQGLEWOORWDLFD-YUTCNCBUSA-N 2 0 264.369 1.290 10 0 CDAERP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000925094651 732578825 /nfs/dbraw/zinc/57/88/25/732578825.db2.gz PJFSFSLZTOUDSP-DLTWYDFYSA-N 2 0 296.455 1.748 10 0 CDAERP CC[C@H](C[C@](C)(O)CC)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000924994015 732607124 /nfs/dbraw/zinc/60/71/24/732607124.db2.gz RMCQGCBKAZSKJY-ARFHVFGLSA-N 2 0 285.476 1.542 10 0 CDAERP c1ccc2sc(CN3CC[NH2+]CC[NH2+]CC3)nc2c1 ZINC000923462580 732647024 /nfs/dbraw/zinc/64/70/24/732647024.db2.gz LLBBUKOBZHLWGL-UHFFFAOYSA-N 2 0 276.409 1.291 10 0 CDAERP C[C@@H]1C[N@@H+]([C@@H]2CCN(C3CCC3)C2=O)CC[C@H]1C[NH3+] ZINC000923491570 732719344 /nfs/dbraw/zinc/71/93/44/732719344.db2.gz TUKRFSALACOAGH-MBNYWOFBSA-N 2 0 265.401 1.057 10 0 CDAERP Cn1c(C[NH2+]CCN2CCC([NH+](C)C)CC2)cnc1Cl ZINC000848540267 732770873 /nfs/dbraw/zinc/77/08/73/732770873.db2.gz MYDOLOLNWFXKAJ-UHFFFAOYSA-N 2 0 299.850 1.189 10 0 CDAERP Cc1csc(C[C@H]2CC[N@H+](CCOCC[NH3+])C2)n1 ZINC000923551068 732781560 /nfs/dbraw/zinc/78/15/60/732781560.db2.gz JFHCKJJSHHRRLS-GFCCVEGCSA-N 2 0 269.414 1.291 10 0 CDAERP c1nn(-c2ccccc2)nc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000841037796 732807084 /nfs/dbraw/zinc/80/70/84/732807084.db2.gz XQOYVKYEBJPTRB-CYBMUJFWSA-N 2 0 271.368 1.357 10 0 CDAERP CC(C)n1ncnc1C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723884263 732827268 /nfs/dbraw/zinc/82/72/68/732827268.db2.gz SJJRSPIEJOYJKE-VXGBXAGGSA-N 2 0 251.378 1.276 10 0 CDAERP Cc1cn2cc(NC(=O)C[C@H]([NH3+])C3CC3)ccc2n1 ZINC000828382198 732835397 /nfs/dbraw/zinc/83/53/97/732835397.db2.gz QPSSKIOWHGWGJL-LBPRGKRZSA-N 2 0 258.325 1.709 10 0 CDAERP FC(F)(F)CN1CC[C@@H](C[NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000129116785 732837771 /nfs/dbraw/zinc/83/77/71/732837771.db2.gz FDHLTVXORRYCFR-NWDGAFQWSA-N 2 0 279.350 1.602 10 0 CDAERP CN1CC[NH+](CCCC[NH2+][C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925544849 732860215 /nfs/dbraw/zinc/86/02/15/732860215.db2.gz DOVKLOYDJBXIKX-INIZCTEOSA-N 3 0 294.487 1.278 10 0 CDAERP C[C@@H]([NH2+]CC1(O)CCCCC1)C1=CC[N@H+](C)CC1 ZINC000819219927 732909502 /nfs/dbraw/zinc/90/95/02/732909502.db2.gz INHZOTCLLWAICN-CYBMUJFWSA-N 2 0 252.402 1.922 10 0 CDAERP C[C@](O)(C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)c1cccs1 ZINC000925614678 732915442 /nfs/dbraw/zinc/91/54/42/732915442.db2.gz ZYWGMJVKWJXRTP-MDZLAQPJSA-N 2 0 266.410 1.815 10 0 CDAERP Cc1cc(CN2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)ccn1 ZINC000720792054 732924446 /nfs/dbraw/zinc/92/44/46/732924446.db2.gz BWUVMQVKSDLKDS-NWDGAFQWSA-N 2 0 273.302 1.959 10 0 CDAERP C[C@@H]1OC[C@@H]([NH2+]CCN2CCC([NH+](C)C)CC2)[C@@H]1C ZINC000925215304 732971526 /nfs/dbraw/zinc/97/15/26/732971526.db2.gz LPZWZPDHXMZUFR-VNHYZAJKSA-N 2 0 269.433 1.025 10 0 CDAERP C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)C1 ZINC000923509318 733010982 /nfs/dbraw/zinc/01/09/82/733010982.db2.gz PNNWFDCOHJQJTG-LXTVHRRPSA-N 2 0 281.444 1.408 10 0 CDAERP C([NH2+]C1CC[NH+](CC2CC2)CC1)[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000926944717 733025914 /nfs/dbraw/zinc/02/59/14/733025914.db2.gz GHAIWOONBYNFFL-KBMXLJTQSA-N 2 0 280.412 1.254 10 0 CDAERP CC[N@H+](C)C[C@@H](O)C[NH2+]C1(CO)CCCCCCC1 ZINC000713437114 733028818 /nfs/dbraw/zinc/02/88/18/733028818.db2.gz QXSMVHGUKQZWFT-AWEZNQCLSA-N 2 0 272.433 1.364 10 0 CDAERP CCOCCOCC[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000923429029 733028902 /nfs/dbraw/zinc/02/89/02/733028902.db2.gz WPBIVCPCESODDK-HNNXBMFYSA-N 2 0 270.417 1.505 10 0 CDAERP C[C@H]1[C@@H](NC(=O)N2CCC[NH+](C(C)(C)C)CC2)CC[N@@H+]1C ZINC000925316419 733032225 /nfs/dbraw/zinc/03/22/25/733032225.db2.gz KNRHHBQZKVFISO-KBPBESRZSA-N 2 0 296.459 1.595 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000852882270 733042192 /nfs/dbraw/zinc/04/21/92/733042192.db2.gz BHLNDEKQSSFKBL-HUUCEWRRSA-N 2 0 277.412 1.144 10 0 CDAERP COc1ccccc1[C@@H](O)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000817893137 733122441 /nfs/dbraw/zinc/12/24/41/733122441.db2.gz QJSPGHBVKIIWRZ-PIMMBPRGSA-N 2 0 278.396 1.836 10 0 CDAERP CN(C[C@@H]1CCC[N@H+](C)C1)C[C@H]1CCCC[NH2+]C1 ZINC000705146269 733127036 /nfs/dbraw/zinc/12/70/36/733127036.db2.gz GPFQCFPRHTYXIL-LSDHHAIUSA-N 2 0 253.434 1.650 10 0 CDAERP C[N@H+](CCCN1CC[NH+](C)CC1)CC1(O)CCCCC1 ZINC000305645523 733129309 /nfs/dbraw/zinc/12/93/09/733129309.db2.gz AMMBVLGVCVGHRJ-UHFFFAOYSA-N 2 0 283.460 1.251 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](C)CC2(C)C)CC[N@@H+]1C ZINC001635649890 1166608190 /nfs/dbraw/zinc/60/81/90/1166608190.db2.gz SJCDWIJVOUZSKU-YNEHKIRRSA-N 2 0 267.417 1.173 10 0 CDAERP CCC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C(C)C ZINC001691744062 1166891817 /nfs/dbraw/zinc/89/18/17/1166891817.db2.gz HUDVAXLIJHINGH-CQSZACIVSA-N 2 0 269.433 1.707 10 0 CDAERP CCCCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001571583804 1167600773 /nfs/dbraw/zinc/60/07/73/1167600773.db2.gz JBGJLFMVZHNQHE-HUUCEWRRSA-N 2 0 299.459 1.070 10 0 CDAERP CCCCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001571583805 1167601976 /nfs/dbraw/zinc/60/19/76/1167601976.db2.gz JBGJLFMVZHNQHE-LSDHHAIUSA-N 2 0 299.459 1.070 10 0 CDAERP [NH3+]C1(C[NH2+]C2CCC(O)(C(F)(F)F)CC2)CCOCC1 ZINC001646049100 1167623148 /nfs/dbraw/zinc/62/31/48/1167623148.db2.gz VEIQAPHXHRPFPR-UHFFFAOYSA-N 2 0 296.333 1.320 10 0 CDAERP C[C@@H]1C[C@@H](C[N@H+](C)CCCNC(=O)CC[NH+](C)C)CCO1 ZINC001566488522 1168306838 /nfs/dbraw/zinc/30/68/38/1168306838.db2.gz BEJWLBPUQNYQFG-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001483734840 913271234 /nfs/dbraw/zinc/27/12/34/913271234.db2.gz HFEBVCYKQNANML-AWEZNQCLSA-N 2 0 279.428 1.367 10 0 CDAERP CCCC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001266426370 894810051 /nfs/dbraw/zinc/81/00/51/894810051.db2.gz KDYGSMRGJNICCZ-CABCVRRESA-N 2 0 281.444 1.755 10 0 CDAERP C[NH+](C)CCOCC[NH2+]C[C@H](O)c1ccccc1Cl ZINC000234254149 895638611 /nfs/dbraw/zinc/63/86/11/895638611.db2.gz SVOZOTVPBWIVLV-AWEZNQCLSA-N 2 0 286.803 1.541 10 0 CDAERP CC[C@H](C(=O)N(C)CC[NH2+]CCC1CCCC1)[NH+](C)C ZINC001567516387 1168825837 /nfs/dbraw/zinc/82/58/37/1168825837.db2.gz SBRYGJMUQGAKOZ-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP C1C[C@H]2C[C@H]([NH2+][C@@H]3CCC[NH2+]CC3)CC[C@H]2CO1 ZINC000723648590 896099602 /nfs/dbraw/zinc/09/96/02/896099602.db2.gz VYQCRLKJAJHNKV-BYNSBNAKSA-N 2 0 252.402 1.923 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NC2CCC([NH2+]CCCF)CC2)C1 ZINC001266916007 896335829 /nfs/dbraw/zinc/33/58/29/896335829.db2.gz JIGSXJWLRVHWHB-HSBZDZAISA-N 2 0 285.407 1.315 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCCF ZINC001266975000 896474132 /nfs/dbraw/zinc/47/41/32/896474132.db2.gz JLFKOCRLAWLZJL-KBPBESRZSA-N 2 0 287.423 1.703 10 0 CDAERP CC[C@H](C(=O)N(C)CC[NH2+]CC1CC(F)(F)C1)[NH+](C)C ZINC001266988816 896504152 /nfs/dbraw/zinc/50/41/52/896504152.db2.gz OXJLYPJYYCQGLS-GFCCVEGCSA-N 2 0 291.386 1.420 10 0 CDAERP C[C@@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCCF ZINC001267134685 896891432 /nfs/dbraw/zinc/89/14/32/896891432.db2.gz LFIPDQWKWDHYSW-STQMWFEESA-N 2 0 273.396 1.315 10 0 CDAERP CC/C=C\CC[NH2+][C@@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001267152844 896935682 /nfs/dbraw/zinc/93/56/82/896935682.db2.gz VRYMGFGHDIFJHI-XVWMLYKFSA-N 2 0 293.455 1.923 10 0 CDAERP C[NH+]1CCC2(CCN(C(=O)[C@H]3C[C@H]([NH3+])C3)CC2)CC1 ZINC000693639018 897041397 /nfs/dbraw/zinc/04/13/97/897041397.db2.gz MXBNKUHRSMJNBA-JOCQHMNTSA-N 2 0 265.401 1.058 10 0 CDAERP CC[C@H](C)NC(=O)CC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693743678 897247540 /nfs/dbraw/zinc/24/75/40/897247540.db2.gz XIPJDBNBBSPPEF-MYZSUADSSA-N 2 0 281.444 1.657 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001267307402 897548261 /nfs/dbraw/zinc/54/82/61/897548261.db2.gz RUYZUFIDNGDEPH-AWEZNQCLSA-N 2 0 269.433 1.566 10 0 CDAERP Cc1nc(CC[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)cs1 ZINC000405211005 897566848 /nfs/dbraw/zinc/56/68/48/897566848.db2.gz CRNCZBBJOBFPMK-NEPJUHHUSA-N 2 0 251.399 1.854 10 0 CDAERP [NH3+]Cc1ccc2c(c1)N(C[C@H]1CCC[NH2+]C1)CCO2 ZINC001351801607 897941684 /nfs/dbraw/zinc/94/16/84/897941684.db2.gz RQIBZZWUBGPEIX-ZDUSSCGKSA-N 2 0 261.369 1.344 10 0 CDAERP CC/C=C\CC[NH2+]CCN(C)C(=O)C[NH+]1CCCC1 ZINC001567606484 1168883644 /nfs/dbraw/zinc/88/36/44/1168883644.db2.gz OFVDUTFFCOGBGD-PLNGDYQASA-N 2 0 267.417 1.487 10 0 CDAERP CC[N@@H+]1CC[C@@H](CCNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001267576774 898491814 /nfs/dbraw/zinc/49/18/14/898491814.db2.gz XVKBZIDBKZQSJH-UONOGXRCSA-N 2 0 267.417 1.176 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001267586860 898576632 /nfs/dbraw/zinc/57/66/32/898576632.db2.gz AZSNGWHKOWHOGX-JKSUJKDBSA-N 2 0 293.455 1.827 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001267748772 899563209 /nfs/dbraw/zinc/56/32/09/899563209.db2.gz BLIOAUSOCCNGQG-KSLSASGISA-N 2 0 293.455 1.875 10 0 CDAERP CCCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001267806488 899775002 /nfs/dbraw/zinc/77/50/02/899775002.db2.gz XLVSHEZJLXUNCU-HZSPNIEDSA-N 2 0 269.433 1.611 10 0 CDAERP CCC[NH2+]Cc1ccc(CNC(=O)C[NH+]2CCCC2)cc1 ZINC001267940795 900012892 /nfs/dbraw/zinc/01/28/92/900012892.db2.gz PCUYUVNQLZXKAO-UHFFFAOYSA-N 2 0 289.423 1.898 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CCC[C@@H]1C[NH2+]CC1CC1 ZINC001267970493 900119608 /nfs/dbraw/zinc/11/96/08/900119608.db2.gz RVOKSIDMKRHBFX-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001481432488 900652526 /nfs/dbraw/zinc/65/25/26/900652526.db2.gz MPFGYBXKKMRHRQ-MGPQQGTHSA-N 2 0 267.417 1.175 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@@H](O)CC3CCCC3)C[C@H]21 ZINC000300072029 901892656 /nfs/dbraw/zinc/89/26/56/901892656.db2.gz HTJOOCLOSQVAMB-QKPAOTATSA-N 2 0 266.429 1.987 10 0 CDAERP CC[NH2+]CC[C@@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001268372361 901951649 /nfs/dbraw/zinc/95/16/49/901951649.db2.gz XMCPZBLIAVFQNM-LLVKDONJSA-N 2 0 283.441 1.928 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)CC[NH2+]CC(C)C)[NH+](C)C ZINC001268412580 902023625 /nfs/dbraw/zinc/02/36/25/902023625.db2.gz ABMKGHOISHIXKX-QWHCGFSZSA-N 2 0 257.422 1.467 10 0 CDAERP CC[NH2+]CC[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001268416065 902032175 /nfs/dbraw/zinc/03/21/75/902032175.db2.gz HAEZPTYPIOSECI-ZDUSSCGKSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CCC1CC1 ZINC001481818065 902169498 /nfs/dbraw/zinc/16/94/98/902169498.db2.gz DUOJWWHYLMPNHF-CQSZACIVSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(C)C ZINC001481812331 902172077 /nfs/dbraw/zinc/17/20/77/902172077.db2.gz KYHATZREDLQKNF-MGPQQGTHSA-N 2 0 269.433 1.467 10 0 CDAERP CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CCC1CC1 ZINC001481868060 902245178 /nfs/dbraw/zinc/24/51/78/902245178.db2.gz DIFMETXNTBHIMC-CQSZACIVSA-N 2 0 279.428 1.367 10 0 CDAERP C[NH+](C)CCC(=O)N[C@](C)(C[NH2+]CC1CC1)C1CC1 ZINC001481940627 902381243 /nfs/dbraw/zinc/38/12/43/902381243.db2.gz JAEMZDNNPBHIEQ-OAHLLOKOSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@@](C)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001481950608 902396933 /nfs/dbraw/zinc/39/69/33/902396933.db2.gz JETYONIAFWHBRF-CZUORRHYSA-N 2 0 299.434 1.705 10 0 CDAERP CCN(CC[NH2+]Cc1ccccn1)C(=O)C[N@H+](C)C(C)C ZINC001268498935 902398414 /nfs/dbraw/zinc/39/84/14/902398414.db2.gz AMSWEDOTNUPHGD-UHFFFAOYSA-N 2 0 292.427 1.360 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001482013034 902473083 /nfs/dbraw/zinc/47/30/83/902473083.db2.gz TWDCFRVUOAKRPT-AJNGGQMLSA-N 2 0 299.434 1.846 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1ccsc1 ZINC001268521059 902499669 /nfs/dbraw/zinc/49/96/69/902499669.db2.gz FOCNAJCLZWPPHX-BAABZTOOSA-N 2 0 293.436 1.604 10 0 CDAERP CC(C)[NH2+]C[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001482100309 902643855 /nfs/dbraw/zinc/64/38/55/902643855.db2.gz CKLZHHXHAUAMGC-JSGCOSHPSA-N 2 0 267.417 1.079 10 0 CDAERP CCC/C=C/CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268659651 902914093 /nfs/dbraw/zinc/91/40/93/902914093.db2.gz YQHVYKDQLAYQTO-WLBISTCBSA-N 2 0 281.444 1.921 10 0 CDAERP CCC[NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001268822760 903158425 /nfs/dbraw/zinc/15/84/25/903158425.db2.gz UDTCXAZEZDTNAD-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001269343846 903719360 /nfs/dbraw/zinc/71/93/60/903719360.db2.gz PGVGBRRHUQWWAI-ZIAGYGMSSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001269352955 903732940 /nfs/dbraw/zinc/73/29/40/903732940.db2.gz XJTWEVRDEXDBHC-ZDUSSCGKSA-N 2 0 255.406 1.173 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[NH2+]C(C)C ZINC001269401403 903778869 /nfs/dbraw/zinc/77/88/69/903778869.db2.gz CDWNXELBDXIGLP-KBPBESRZSA-N 2 0 269.433 1.752 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CCC1 ZINC001269511217 903876183 /nfs/dbraw/zinc/87/61/83/903876183.db2.gz XQDCPMQIBNXAPM-KGLIPLIRSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)=CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001269535649 903903130 /nfs/dbraw/zinc/90/31/30/903903130.db2.gz VCLIYNXHGXWQHU-CYBMUJFWSA-N 2 0 265.401 1.143 10 0 CDAERP CC(C)=CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC001482236616 904023363 /nfs/dbraw/zinc/02/33/63/904023363.db2.gz KPENAKFVUFDWGA-OAHLLOKOSA-N 2 0 293.455 1.923 10 0 CDAERP CCCC[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001279112353 904561304 /nfs/dbraw/zinc/56/13/04/904561304.db2.gz IBSBMGMJRZIXOR-LSDHHAIUSA-N 2 0 295.471 1.955 10 0 CDAERP CC[NH2+][C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001482535594 906905711 /nfs/dbraw/zinc/90/57/11/906905711.db2.gz BHAMEFKFETZWED-KBPBESRZSA-N 2 0 269.433 1.611 10 0 CDAERP CCN(CC[NH2+]CC[C@@H]1CCCO1)C(=O)C[NH+]1CCCC1 ZINC001482967225 908552476 /nfs/dbraw/zinc/55/24/76/908552476.db2.gz ORPXBMRKDUCTSR-HNNXBMFYSA-N 2 0 297.443 1.089 10 0 CDAERP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712669761 909575434 /nfs/dbraw/zinc/57/54/34/909575434.db2.gz CXKYFPUEAPFPHP-RYUDHWBXSA-N 2 0 255.406 1.303 10 0 CDAERP C[C@@H]([NH2+]CCF)[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001409418417 910383410 /nfs/dbraw/zinc/38/34/10/910383410.db2.gz IWBZLOWAXORRRC-OLZOCXBDSA-N 2 0 299.434 1.561 10 0 CDAERP C[C@@H](C[NH2+]Cc1cncs1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001483266197 910760369 /nfs/dbraw/zinc/76/03/69/910760369.db2.gz GPFHYPFMRIUSPM-NEPJUHHUSA-N 2 0 296.440 1.079 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]CC=C(Cl)Cl ZINC001483286221 910791288 /nfs/dbraw/zinc/79/12/88/910791288.db2.gz UTNAJUMCLCHVIG-JTQLQIEISA-N 2 0 296.242 1.742 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC1CC1 ZINC001483296842 910810778 /nfs/dbraw/zinc/81/07/78/910810778.db2.gz RQIFUCPXUVNMQL-JSGCOSHPSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001483298553 910811972 /nfs/dbraw/zinc/81/19/72/910811972.db2.gz LQEJAYSMAGHILT-KBPBESRZSA-N 2 0 269.433 1.610 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001483606625 911313357 /nfs/dbraw/zinc/31/33/57/911313357.db2.gz ZRBNCIHHYFRIND-LSDHHAIUSA-N 2 0 279.428 1.389 10 0 CDAERP CC[C@H](C(=O)NC1(C)CC[NH+](CCCOC)CC1)[NH+](C)C ZINC001483967727 915255250 /nfs/dbraw/zinc/25/52/50/915255250.db2.gz PSVPLBFWWOCYNA-CQSZACIVSA-N 2 0 299.459 1.334 10 0 CDAERP CCCC[N@@H+]1CC[C@](C)(NC(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001484065293 915390194 /nfs/dbraw/zinc/39/01/94/915390194.db2.gz LCCFEDINIOSMDE-CJNGLKHVSA-N 2 0 292.427 1.969 10 0 CDAERP CCOCC[N@@H+]1CCC[C@H](NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001484721365 916104519 /nfs/dbraw/zinc/10/45/19/916104519.db2.gz GEQMASNHGFFSCH-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CCC[N@H+](CCO)CC1)[NH+](CC)CC ZINC001484722097 916104655 /nfs/dbraw/zinc/10/46/55/916104655.db2.gz RMKOCJSJAVPEST-LSDHHAIUSA-N 2 0 299.459 1.070 10 0 CDAERP CC[NH2+]C1(CC)CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001484810861 916178716 /nfs/dbraw/zinc/17/87/16/916178716.db2.gz NABKBQCBFPRGOH-UHFFFAOYSA-N 2 0 281.444 1.851 10 0 CDAERP CC(C)OCC[NH2+]C[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001568191369 1169168464 /nfs/dbraw/zinc/16/84/64/1169168464.db2.gz ZQBQVTCYTOFBPD-AWEZNQCLSA-N 2 0 299.459 1.095 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001485035818 916412068 /nfs/dbraw/zinc/41/20/68/916412068.db2.gz SSTHPTGTQIJZDE-GJZGRUSLSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[NH2+]CC1CC(NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001485102897 916500770 /nfs/dbraw/zinc/50/07/70/916500770.db2.gz WJMXMRHEOQGCQB-UHFFFAOYSA-N 2 0 283.460 1.857 10 0 CDAERP C[C@@H](NC(=O)C12CCC[NH+]1CCC2)[C@@H](C)[NH2+]CCCF ZINC001485167676 916602408 /nfs/dbraw/zinc/60/24/08/916602408.db2.gz XNZIHLAOSRMCRN-CHWSQXEVSA-N 2 0 285.407 1.457 10 0 CDAERP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH+](C)CCCF ZINC001485372937 916923799 /nfs/dbraw/zinc/92/37/99/916923799.db2.gz GPSLRLFSHQXFLH-QWHCGFSZSA-N 2 0 273.396 1.124 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCCF)C1 ZINC001485689092 917183077 /nfs/dbraw/zinc/18/30/77/917183077.db2.gz QOTDGMRODIGDDT-MGPQQGTHSA-N 2 0 285.407 1.315 10 0 CDAERP CC[C@H](F)C[N@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001485766853 917269115 /nfs/dbraw/zinc/26/91/15/917269115.db2.gz MCYWVIMBQVERII-KGLIPLIRSA-N 2 0 299.434 1.609 10 0 CDAERP CC(C)=CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001272863766 919921430 /nfs/dbraw/zinc/92/14/30/919921430.db2.gz BGCQRNWRYGFCQY-LSDHHAIUSA-N 2 0 281.444 1.921 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C[NH2+]C/C=C/Cl)C1 ZINC001486210279 920820994 /nfs/dbraw/zinc/82/09/94/920820994.db2.gz JLZOJGPGPSUPCS-XBFYPFSCSA-N 2 0 287.835 1.565 10 0 CDAERP CC(C)[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C(C)(C)C ZINC001486403444 920988453 /nfs/dbraw/zinc/98/84/53/920988453.db2.gz OJJJVVQBLCTXRF-KGLIPLIRSA-N 2 0 283.460 2.000 10 0 CDAERP C[NH+](C)C1CC([NH2+][C@@H]2CCOC3(CCOCC3)C2)C1 ZINC000701502362 922395502 /nfs/dbraw/zinc/39/55/02/922395502.db2.gz KSILUPJQTPSASA-IYXRBSQSSA-N 2 0 268.401 1.397 10 0 CDAERP C[C@@H]1C[C@H](N[C@@H]2CNOC2)CC[N@@H+]1Cc1ccccc1 ZINC000703343280 922693402 /nfs/dbraw/zinc/69/34/02/922693402.db2.gz GVOVFWSXAVKUCB-FVQBIDKESA-N 2 0 275.396 1.533 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cnc(C)o2)C1 ZINC001490949438 936835059 /nfs/dbraw/zinc/83/50/59/936835059.db2.gz IURLYUWWBHVFRO-JOCQHMNTSA-N 2 0 294.399 1.062 10 0 CDAERP CC[C@H](C)C[N@@H+]1CCC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001491128690 936861108 /nfs/dbraw/zinc/86/11/08/936861108.db2.gz DAKPSZPXYMKDBC-HOTGVXAUSA-N 2 0 295.471 1.957 10 0 CDAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](C[C@@H](O)CC(F)(F)F)CC2 ZINC000923440988 923836532 /nfs/dbraw/zinc/83/65/32/923836532.db2.gz JBBCGKVQYRWJTJ-QWRGUYRKSA-N 2 0 296.333 1.130 10 0 CDAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1cc(C3CC3)no1)CC2 ZINC000923450373 923841822 /nfs/dbraw/zinc/84/18/22/923841822.db2.gz FQFNDSOBKHIQMA-CQSZACIVSA-N 2 0 291.395 1.882 10 0 CDAERP C[C@H]1C[N@H+](CCCC2CC[NH2+]CC2)CC[C@H]1C[NH3+] ZINC000923496052 923873269 /nfs/dbraw/zinc/87/32/69/923873269.db2.gz ZDGHJYJUECDTIS-ZFWWWQNUSA-N 3 0 253.434 1.683 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)N2CCc3ccccc32)CC[C@H]1C[NH3+] ZINC000923507942 923888181 /nfs/dbraw/zinc/88/81/81/923888181.db2.gz LJQUYSLHZDPQFS-HIFRSBDPSA-N 2 0 287.407 1.492 10 0 CDAERP Cc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001491413078 936910674 /nfs/dbraw/zinc/91/06/74/936910674.db2.gz AAHJDGNGZFLZLS-ZBFHGGJFSA-N 2 0 289.423 1.684 10 0 CDAERP CC[C@@H](C(=O)N1CCCC[C@@H]1CC[NH2+]CCOC)[NH+](C)C ZINC001568393519 1169272295 /nfs/dbraw/zinc/27/22/95/1169272295.db2.gz NDVVTWMSKISRCW-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CCCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001410171090 925339521 /nfs/dbraw/zinc/33/95/21/925339521.db2.gz MVFZLKJQVNIFOC-CQSZACIVSA-N 2 0 299.434 1.611 10 0 CDAERP Cn1ncc(-c2cccc(OCC[NH+](C)C)c2)c1C[NH3+] ZINC000827469433 925941253 /nfs/dbraw/zinc/94/12/53/925941253.db2.gz IATWXFCJSQINGI-UHFFFAOYSA-N 2 0 274.368 1.486 10 0 CDAERP CCn1nc2c(cc1=O)C[N@@H+](CCCCCCC[NH3+])CC2 ZINC000842473044 937058241 /nfs/dbraw/zinc/05/82/41/937058241.db2.gz MUMGLXSCUJQWHG-UHFFFAOYSA-N 2 0 292.427 1.531 10 0 CDAERP CC(C)[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001488683852 926648743 /nfs/dbraw/zinc/64/87/43/926648743.db2.gz OGZSRRKMLKAXGB-KGLIPLIRSA-N 2 0 267.417 1.269 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2[NH+](CC)C1 ZINC001489088914 926804839 /nfs/dbraw/zinc/80/48/39/926804839.db2.gz LHDWEHIHRKUPCS-VGWMRTNUSA-N 2 0 293.455 1.517 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[NH+]1CC ZINC001489088912 926805742 /nfs/dbraw/zinc/80/57/42/926805742.db2.gz LHDWEHIHRKUPCS-JONQDZQNSA-N 2 0 293.455 1.517 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001411003684 926878512 /nfs/dbraw/zinc/87/85/12/926878512.db2.gz ZDSQVZPTOXHMMW-OLZOCXBDSA-N 2 0 287.423 1.513 10 0 CDAERP CCCCC[N@H+](C)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001490271144 927066444 /nfs/dbraw/zinc/06/64/44/927066444.db2.gz DBMJUGLKLZXDBA-UHFFFAOYSA-N 2 0 281.444 1.711 10 0 CDAERP CC[N@H+](CCO)CCCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001490349296 927106177 /nfs/dbraw/zinc/10/61/77/927106177.db2.gz SZOWXPNGHFXYPS-HNNXBMFYSA-N 2 0 299.459 1.070 10 0 CDAERP O=C(CCCC[NH+]1CCCC1)N[C@H]1CCCN(CCF)C1 ZINC001490460610 927193421 /nfs/dbraw/zinc/19/34/21/927193421.db2.gz HNZOFFSDYSXOQF-HNNXBMFYSA-N 2 0 299.434 1.803 10 0 CDAERP CCCN(C(=O)C[NH+]1CCCC1)C1CCN(CCF)CC1 ZINC001490623144 927262882 /nfs/dbraw/zinc/26/28/82/927262882.db2.gz JIWAPIDGNONKQY-UHFFFAOYSA-N 2 0 299.434 1.755 10 0 CDAERP CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC1 ZINC001490664473 927289207 /nfs/dbraw/zinc/28/92/07/927289207.db2.gz KNNGGIJLPHPDRD-BFHYXJOUSA-N 2 0 267.417 1.221 10 0 CDAERP C[N@H+](CCF)C[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001490775833 927342302 /nfs/dbraw/zinc/34/23/02/927342302.db2.gz DLSKXFNNAYKIJJ-KBPBESRZSA-N 2 0 285.407 1.078 10 0 CDAERP COC(=O)N1CCC([NH2+]CC[C@@H]([NH3+])C(C)C)CC1 ZINC000853247181 927990999 /nfs/dbraw/zinc/99/09/99/927990999.db2.gz FVSQUNIRHFUTDI-GFCCVEGCSA-N 2 0 257.378 1.180 10 0 CDAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857866519 928763721 /nfs/dbraw/zinc/76/37/21/928763721.db2.gz SXIVWFRLAIQUSV-HIFRSBDPSA-N 2 0 291.443 1.403 10 0 CDAERP Cn1nccc1CC[NH2+][C@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000796938253 937317165 /nfs/dbraw/zinc/31/71/65/937317165.db2.gz MMKNZSGAURLKCZ-ILXRZTDVSA-N 2 0 262.401 1.425 10 0 CDAERP C[C@H]1C[NH+](C(C)(C)CNc2cc[nH+]cc2)C[C@H](C)O1 ZINC001116184751 937434692 /nfs/dbraw/zinc/43/46/92/937434692.db2.gz LCQUFMBZFJWXJW-STQMWFEESA-N 2 0 263.385 1.803 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CC1CC1 ZINC001274411960 931497951 /nfs/dbraw/zinc/49/79/51/931497951.db2.gz BVNNGEGGOQEPCH-AWFCHZOYSA-N 2 0 293.455 1.921 10 0 CDAERP C[C@H](F)CC[NH2+]C/C=C/CNC(=O)C[NH+]1CCC(C)CC1 ZINC001274463333 931501811 /nfs/dbraw/zinc/50/18/11/931501811.db2.gz FJXIXHDYFLZYGI-BWPKMQGJSA-N 2 0 299.434 1.728 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001274772448 931573863 /nfs/dbraw/zinc/57/38/63/931573863.db2.gz WGSQYXKQWFYDIS-GJZGRUSLSA-N 2 0 281.444 1.921 10 0 CDAERP C[C@@H](C[NH2+]C/C=C\c1ccccc1)NC(=O)CC[NH+](C)C ZINC001275291544 931726418 /nfs/dbraw/zinc/72/64/18/931726418.db2.gz LPOLOZOREJNGAU-XMELGKRDSA-N 2 0 289.423 1.746 10 0 CDAERP CCOCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1CC ZINC001275729031 931982706 /nfs/dbraw/zinc/98/27/06/931982706.db2.gz JHPFNTRPWNIAHZ-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CC[NH+]1CC[C@H](F)C1 ZINC001411836672 932059555 /nfs/dbraw/zinc/05/95/55/932059555.db2.gz VCRINXCRNQMDFA-RDBSUJKOSA-N 2 0 285.407 1.219 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC1CC1 ZINC001276002007 932220811 /nfs/dbraw/zinc/22/08/11/932220811.db2.gz NPFYHABJHGNYKN-HNNXBMFYSA-N 2 0 281.444 1.707 10 0 CDAERP O=C(CC[N@H+]1CC[C@@H](F)C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC001412481267 932448655 /nfs/dbraw/zinc/44/86/55/932448655.db2.gz KVLCKIXOZIXAQE-KGLIPLIRSA-N 2 0 283.391 1.117 10 0 CDAERP CCCNC(=O)CC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925496596 932454469 /nfs/dbraw/zinc/45/44/69/932454469.db2.gz WTHSFOACWYCYBW-RYUDHWBXSA-N 2 0 255.406 1.398 10 0 CDAERP O=C(CC[N@H+]1CC[C@H](F)C1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001412529812 932469746 /nfs/dbraw/zinc/46/97/46/932469746.db2.gz PXNFBQAYJDWGFV-GJZGRUSLSA-N 2 0 297.418 1.507 10 0 CDAERP CN(CCC[NH2+]CCO)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001276092765 932521531 /nfs/dbraw/zinc/52/15/31/932521531.db2.gz KVILZFNVEAFUOP-UHFFFAOYSA-N 2 0 299.459 1.070 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H](C)CC[NH+](C)C)C1 ZINC001412697044 932645572 /nfs/dbraw/zinc/64/55/72/932645572.db2.gz RUJWXBJMOZYWLT-HUUCEWRRSA-N 2 0 283.460 1.668 10 0 CDAERP O=C(NC1(C[NH2+]CCF)CCCCC1)C12CC[NH+](CC1)C2 ZINC001276237073 932673179 /nfs/dbraw/zinc/67/31/79/932673179.db2.gz DZOQPWDUOIRSBB-UHFFFAOYSA-N 2 0 297.418 1.460 10 0 CDAERP CO[C@H](C)C[NH2+]CCCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001276258995 932694354 /nfs/dbraw/zinc/69/43/54/932694354.db2.gz QKODITVRJIBOHH-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP CC1(C)[C@@H]([NH2+]CCCOC[C@@H]2CCOC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925523294 932898043 /nfs/dbraw/zinc/89/80/43/932898043.db2.gz RVOZRIVLOATJKA-FZKCQIBNSA-N 2 0 296.455 1.796 10 0 CDAERP COC(=O)N1CCC([NH2+][C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925568208 932906321 /nfs/dbraw/zinc/90/63/21/932906321.db2.gz NDRKZTLNDCEGJN-ZDUSSCGKSA-N 2 0 281.400 1.482 10 0 CDAERP CC1(C)[C@@H]([NH2+]CCC2(C)OCCO2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925640986 932919446 /nfs/dbraw/zinc/91/94/46/932919446.db2.gz WYADQSHHJZLYMW-AGIUHOORSA-N 2 0 268.401 1.506 10 0 CDAERP [NH3+][C@H](CN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1)C1CC1 ZINC000925697407 932928230 /nfs/dbraw/zinc/92/82/30/932928230.db2.gz FUMCXIGMZHYZHN-RRFJBIMHSA-N 2 0 251.418 1.482 10 0 CDAERP Cc1nn(C)cc1[C@H](C)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925799892 932940843 /nfs/dbraw/zinc/94/08/43/932940843.db2.gz PALALWPQEDGDHO-NTZNESFSSA-N 2 0 250.390 1.625 10 0 CDAERP CSC1(C[NH2+][C@H](C)C(C)(C)CO)CC[NH+](C)CC1 ZINC000926449281 932989856 /nfs/dbraw/zinc/98/98/56/932989856.db2.gz SSUFFOBFMKGPFQ-GFCCVEGCSA-N 2 0 274.474 1.810 10 0 CDAERP Cn1ncc(C2CC2)c1C[NH2+]C1[C@@H]2CC[C@H]1C[N@@H+](C)C2 ZINC000926699798 933014970 /nfs/dbraw/zinc/01/49/70/933014970.db2.gz DXAZBEPOSLNTDC-OCZCAGDBSA-N 2 0 274.412 1.727 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@H]1CCCOC1 ZINC000926747825 933018977 /nfs/dbraw/zinc/01/89/77/933018977.db2.gz PVJKPGRMCYIWCG-JKXDFHQYSA-N 2 0 252.402 1.733 10 0 CDAERP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@@H](O)C3(O)CCCC3)C2)C1 ZINC000930576577 933404698 /nfs/dbraw/zinc/40/46/98/933404698.db2.gz FLGNZVCLORXBAX-HUUCEWRRSA-N 2 0 282.428 1.070 10 0 CDAERP CC(C)[NH2+]CCCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001276332991 935016225 /nfs/dbraw/zinc/01/62/25/935016225.db2.gz NJIVTZIHKCJMLS-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H](CN1CCC2(CCC[N@@H+]2C)CC1)C[NH+]1CCOCC1 ZINC001412973312 935129979 /nfs/dbraw/zinc/12/99/79/935129979.db2.gz ULRNAZQCKXZDMT-INIZCTEOSA-N 2 0 295.471 1.515 10 0 CDAERP C[N@@H+]1C[C@]23C[NH+](C[C@H]4COC(C)(C)O4)C[C@@]2(C1)CCCC3 ZINC001413099907 935903741 /nfs/dbraw/zinc/90/37/41/935903741.db2.gz RPATWJFMCFYQJI-BHYGNILZSA-N 2 0 294.439 1.946 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N[C@@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC001162914059 939160830 /nfs/dbraw/zinc/16/08/30/939160830.db2.gz GUYHVBZADRJBSX-JHJVBQTASA-N 2 0 269.433 1.419 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N[C@@H]1C[C@H]([NH+](C)C)C1(C)C ZINC001162914060 939161000 /nfs/dbraw/zinc/16/10/00/939161000.db2.gz GUYHVBZADRJBSX-UPJWGTAASA-N 2 0 269.433 1.419 10 0 CDAERP CCO[C@@H]1C[N@H+](Cc2csc(C)c2)C[C@H]1C[NH3+] ZINC000405419017 940987636 /nfs/dbraw/zinc/98/76/36/940987636.db2.gz CTCYZASNZBKVIN-CHWSQXEVSA-N 2 0 254.399 1.852 10 0 CDAERP C[C@@H](CNC(=O)[C@@H](C)CC[NH+](C)C)C[NH+]1CCCCC1 ZINC001362067243 970842662 /nfs/dbraw/zinc/84/26/62/970842662.db2.gz YSRFQVYTUGDRHK-GJZGRUSLSA-N 2 0 283.460 1.812 10 0 CDAERP CC(C)C[N@H+]1CC=C(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001279582954 942395087 /nfs/dbraw/zinc/39/50/87/942395087.db2.gz UFCQLLFIPXLYCL-INIZCTEOSA-N 2 0 295.471 1.977 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCCC2CC[NH+](C)CC2)C1 ZINC001362112038 970901298 /nfs/dbraw/zinc/90/12/98/970901298.db2.gz LMCAZDHMYMJFHH-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001283712565 942976092 /nfs/dbraw/zinc/97/60/92/942976092.db2.gz ADGURXKBBAMTNB-KGLIPLIRSA-N 2 0 269.433 1.421 10 0 CDAERP CCOCC[N@H+](C)CCN(C(=O)[C@@H]1CCC[NH+]1C)C(C)C ZINC001284530546 943202409 /nfs/dbraw/zinc/20/24/09/943202409.db2.gz UPJRBDGBCGLAER-HNNXBMFYSA-N 2 0 299.459 1.286 10 0 CDAERP c1cc(N2CCC[C@H]([NH+]3CCOCC3)CC2)cc[nH+]1 ZINC001262672820 943664486 /nfs/dbraw/zinc/66/44/86/943664486.db2.gz NVEDBTAETGZJEK-AWEZNQCLSA-N 2 0 261.369 1.773 10 0 CDAERP CCOCCC[NH2+][C@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001277923077 944053925 /nfs/dbraw/zinc/05/39/25/944053925.db2.gz UUXIAAOJIWXIRB-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C ZINC001264175705 944092747 /nfs/dbraw/zinc/09/27/47/944092747.db2.gz VGYOWVUULZNTQA-KGLIPLIRSA-N 2 0 269.433 1.562 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC=C(C)C)[C@@H]1C ZINC001264726417 944170445 /nfs/dbraw/zinc/17/04/45/944170445.db2.gz UJSRQQUXMYYLAX-CABCVRRESA-N 2 0 281.444 1.873 10 0 CDAERP CO[C@H](C)C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001265171528 944260984 /nfs/dbraw/zinc/26/09/84/944260984.db2.gz SBLHGMGEKRTPFI-UKRRQHHQSA-N 2 0 297.443 1.086 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCCF)C1)[NH+]1CCCC1 ZINC001265509242 944412781 /nfs/dbraw/zinc/41/27/81/944412781.db2.gz WUZYIYKAZJSKJC-KKUMJFAQSA-N 2 0 299.434 1.703 10 0 CDAERP CC[C@@H](C)C[NH2+][C@@H]1C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001265566395 944431544 /nfs/dbraw/zinc/43/15/44/944431544.db2.gz GPOBJFYUJLKOCO-MQYQWHSLSA-N 2 0 269.433 1.610 10 0 CDAERP C[NH+](C)C1(C(=O)N2CCC[C@@H](C[NH2+]CCF)C2)CCC1 ZINC001265613565 944447252 /nfs/dbraw/zinc/44/72/52/944447252.db2.gz RDYHCVLQFFWPFR-ZDUSSCGKSA-N 2 0 285.407 1.268 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@@H](C[NH2+]CCF)C1 ZINC001265983620 944613915 /nfs/dbraw/zinc/61/39/15/944613915.db2.gz WYFDCUXTFBZOTN-STQMWFEESA-N 2 0 291.386 1.074 10 0 CDAERP COCCC[N@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001266119664 944691913 /nfs/dbraw/zinc/69/19/13/944691913.db2.gz JRUZVWIYTLRXLL-HNNXBMFYSA-N 2 0 297.443 1.042 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+]2CC[C@@H](F)C2)C1 ZINC001362307953 971140735 /nfs/dbraw/zinc/14/07/35/971140735.db2.gz ZZHAEUWEGTWMGX-HUUCEWRRSA-N 2 0 299.434 1.611 10 0 CDAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)CC[NH+](C)C ZINC001362423538 971256861 /nfs/dbraw/zinc/25/68/61/971256861.db2.gz BZULOYPNDYIXBG-KFWWJZLASA-N 2 0 281.444 1.659 10 0 CDAERP CC(C)CCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001480122685 971586755 /nfs/dbraw/zinc/58/67/55/971586755.db2.gz QGBPFBUVEPAQDK-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP Cc1ncoc1C[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001480221560 971634619 /nfs/dbraw/zinc/63/46/19/971634619.db2.gz ZGIODFGOMCUBCB-BETUJISGSA-N 2 0 294.399 1.062 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+](C/C=C\Cl)C1 ZINC001480262084 971651350 /nfs/dbraw/zinc/65/13/50/971651350.db2.gz JHABPJJEHNAOFA-LLPBQKLSSA-N 2 0 287.835 1.519 10 0 CDAERP COCCC[NH2+]C[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001569084453 1169636163 /nfs/dbraw/zinc/63/61/63/1169636163.db2.gz JFJCGVWCIJKXRF-GJZGRUSLSA-N 2 0 299.459 1.382 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001480494518 971754741 /nfs/dbraw/zinc/75/47/41/971754741.db2.gz BCVQIXSEIYNISO-AWEZNQCLSA-N 2 0 279.428 1.675 10 0 CDAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1cccnc1 ZINC001480537060 971773691 /nfs/dbraw/zinc/77/36/91/971773691.db2.gz MKRWXNHXTUCSDO-KBPBESRZSA-N 2 0 290.411 1.018 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001480660015 971827705 /nfs/dbraw/zinc/82/77/05/971827705.db2.gz BZTPYWIHBUDKJL-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP CC[NH2+]C[C@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001480663746 971831022 /nfs/dbraw/zinc/83/10/22/971831022.db2.gz MPHRHVNUBRSXRA-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@H](C[N@H+](C)CC1CC1)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001569138891 1169684492 /nfs/dbraw/zinc/68/44/92/1169684492.db2.gz XRJNQUOOXSWZLX-CHWSQXEVSA-N 2 0 267.417 1.175 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001363109462 971894970 /nfs/dbraw/zinc/89/49/70/971894970.db2.gz NXKQCSFAUITMIQ-ZNMIVQPWSA-N 2 0 283.460 1.953 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCOCC1 ZINC001325036317 953691918 /nfs/dbraw/zinc/69/19/18/953691918.db2.gz AOLWJNSXGHUPJI-UHFFFAOYSA-N 2 0 297.443 1.137 10 0 CDAERP COCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001493132892 971956405 /nfs/dbraw/zinc/95/64/05/971956405.db2.gz OHJZSQCXTCCEBO-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1CCC1CC1 ZINC001493151188 971962420 /nfs/dbraw/zinc/96/24/20/971962420.db2.gz ZTDLKQSCZKTFTJ-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CC=C(C)C)C1 ZINC001325581785 953971667 /nfs/dbraw/zinc/97/16/67/953971667.db2.gz ODBJQSSWOWUQSD-CVEARBPZSA-N 2 0 295.471 1.979 10 0 CDAERP C[NH2+]C[C@@H](C)CNC(=O)C[C@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC001326002100 954178558 /nfs/dbraw/zinc/17/85/58/954178558.db2.gz SXDGCIAEYJZQOE-SKDRFNHKSA-N 2 0 298.818 1.405 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@H]1CCCC[C@@H]1C[NH2+]CCF ZINC001569175050 1169704015 /nfs/dbraw/zinc/70/40/15/1169704015.db2.gz ORMXPSKADGOVFV-KGLIPLIRSA-N 2 0 285.407 1.316 10 0 CDAERP Cc1cc(N2CC([NH2+]C3CCOCC3)C2)nc(C2CC2)n1 ZINC001364253950 954390669 /nfs/dbraw/zinc/39/06/69/954390669.db2.gz UTEVVVYDSRCISY-UHFFFAOYSA-N 2 0 288.395 1.620 10 0 CDAERP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC1CC(C)C1 ZINC001421489946 955372622 /nfs/dbraw/zinc/37/26/22/955372622.db2.gz MPPGFJNYEFLCIH-NRXISQOPSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]CC2CC2)C1 ZINC001421556482 955408843 /nfs/dbraw/zinc/40/88/43/955408843.db2.gz ZHQZKZRXSPUGJS-ZFWWWQNUSA-N 2 0 281.444 1.563 10 0 CDAERP C[C@H]1CCC[N@@H+]1CCN[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC001328688474 955414034 /nfs/dbraw/zinc/41/40/34/955414034.db2.gz BHKLYVFGCDOKMM-UONOGXRCSA-N 2 0 253.434 1.933 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001421614169 955433201 /nfs/dbraw/zinc/43/32/01/955433201.db2.gz WMWQNANOIDSZAL-KKUMJFAQSA-N 2 0 299.434 1.847 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001491801240 955442385 /nfs/dbraw/zinc/44/23/85/955442385.db2.gz YUZRCWLVJGFFLC-CVEARBPZSA-N 2 0 295.471 1.953 10 0 CDAERP CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001491897667 955498987 /nfs/dbraw/zinc/49/89/87/955498987.db2.gz ZIYTZUCSECLGNC-CHWSQXEVSA-N 2 0 255.406 1.364 10 0 CDAERP CCC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCC1 ZINC001421748472 955522021 /nfs/dbraw/zinc/52/20/21/955522021.db2.gz KZGGXNOYLFOHFI-UONOGXRCSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)[C@H](C(=O)N(C)CC[NH2+]CC[C@@H]1CCCO1)[NH+](C)C ZINC001493769466 972112516 /nfs/dbraw/zinc/11/25/16/972112516.db2.gz MYAZWUWHSAESIV-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP CC[NH2+]C1(CC)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001421953445 955672050 /nfs/dbraw/zinc/67/20/50/955672050.db2.gz UMGSKVCECDIVPR-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)[N@H+](CCF)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001493877022 972132679 /nfs/dbraw/zinc/13/26/79/972132679.db2.gz JTJFMCSRWXAJOR-CYBMUJFWSA-N 2 0 273.396 1.124 10 0 CDAERP C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC001365312736 955882312 /nfs/dbraw/zinc/88/23/12/955882312.db2.gz DOCQRCAZURJJOS-HUUCEWRRSA-N 2 0 281.444 1.519 10 0 CDAERP CC(C)[N@H+](C)C[C@@H](O)CN1CCC[C@H]1Cc1ccnn1C ZINC001365345583 955934457 /nfs/dbraw/zinc/93/44/57/955934457.db2.gz CRVXCXRNUOJXOC-JKSUJKDBSA-N 2 0 294.443 1.128 10 0 CDAERP C[C@H]([NH3+])CN1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC001329701274 956072272 /nfs/dbraw/zinc/07/22/72/956072272.db2.gz HROYUJGVFXMAFZ-YDHLFZDLSA-N 3 0 253.434 1.953 10 0 CDAERP Cc1cccc(C[N@@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C)c1 ZINC001422557958 956152046 /nfs/dbraw/zinc/15/20/46/956152046.db2.gz CFWFTIJCHNOKBJ-OAHLLOKOSA-N 2 0 291.439 1.883 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CC1CC1 ZINC001422822942 956388052 /nfs/dbraw/zinc/38/80/52/956388052.db2.gz DDTNJYWHRQORDN-ZFWWWQNUSA-N 2 0 281.444 1.707 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2C[C@@H]([NH2+]C/C=C\Cl)C2)C1 ZINC001365821713 956388558 /nfs/dbraw/zinc/38/85/58/956388558.db2.gz DEYBDHFCEHYZKR-IBYWDUJESA-N 2 0 299.846 1.565 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CC12CC[NH+](CC1CCC1)CC2 ZINC001366023485 956516237 /nfs/dbraw/zinc/51/62/37/956516237.db2.gz QVEZXEZYBXWIOA-OAHLLOKOSA-N 2 0 293.455 1.709 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H](NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001423028880 956522708 /nfs/dbraw/zinc/52/27/08/956522708.db2.gz OZJHAOJLAFNVOB-CABCVRRESA-N 2 0 299.434 1.561 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@H]([NH2+]CCc2cccs2)C1 ZINC001366097762 956559723 /nfs/dbraw/zinc/55/97/23/956559723.db2.gz INTVAYGMOQKUIG-ZDUSSCGKSA-N 2 0 295.452 1.433 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCC1CC1 ZINC001423099562 956582711 /nfs/dbraw/zinc/58/27/11/956582711.db2.gz ARBCINKXVXOHLF-ZFWWWQNUSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)CC[NH2+][C@H](C)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001423131700 956615515 /nfs/dbraw/zinc/61/55/15/956615515.db2.gz PELPVJNKIHRVPH-HUUCEWRRSA-N 2 0 283.460 1.811 10 0 CDAERP CC[C@H](C(=O)NCC1([NH2+]CC[C@@H](C)F)CC1)[NH+](C)C ZINC001423247749 956685081 /nfs/dbraw/zinc/68/50/81/956685081.db2.gz UFYKPKVPHDDPLT-VXGBXAGGSA-N 2 0 273.396 1.313 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCF)[C@@H]2C1 ZINC001423349647 956734665 /nfs/dbraw/zinc/73/46/65/956734665.db2.gz ASYGQOLFLQBXCS-ZNMIVQPWSA-N 2 0 299.434 1.513 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@]12CCC[C@@H]1[NH+](CCF)CC2 ZINC001423367043 956742583 /nfs/dbraw/zinc/74/25/83/956742583.db2.gz LFMFOJGLLLNMEI-DZGCQCFKSA-N 2 0 285.407 1.411 10 0 CDAERP COCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001316942405 956898890 /nfs/dbraw/zinc/89/88/90/956898890.db2.gz YSYMPTVFLJLXLG-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001423627088 956908289 /nfs/dbraw/zinc/90/82/89/956908289.db2.gz JLYLXCGBBHAFPY-GDBMZVCRSA-N 2 0 283.460 1.812 10 0 CDAERP CC[C@H](C)C[NH2+]C1(CNC(=O)CC[NH+](C)C)CCOCC1 ZINC001423721296 956960038 /nfs/dbraw/zinc/96/00/38/956960038.db2.gz SLTXVUDWWWZYEA-AWEZNQCLSA-N 2 0 299.459 1.239 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@@H](C)COC ZINC001366624493 957053801 /nfs/dbraw/zinc/05/38/01/957053801.db2.gz CEKNDRLAYQUBBH-KKUMJFAQSA-N 2 0 299.459 1.190 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C(C)C ZINC001366638346 957070523 /nfs/dbraw/zinc/07/05/23/957070523.db2.gz NVHJIAINTMGPKW-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP COCCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001316881254 957089379 /nfs/dbraw/zinc/08/93/79/957089379.db2.gz UMJJRHPULKYLJP-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP COCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001424052755 957101263 /nfs/dbraw/zinc/10/12/63/957101263.db2.gz RTCWEZHTSXBWPY-CABCVRRESA-N 2 0 297.443 1.040 10 0 CDAERP C[C@H](F)CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001424219946 957158961 /nfs/dbraw/zinc/15/89/61/957158961.db2.gz UWYONDLPBGBQGK-STQMWFEESA-N 2 0 285.407 1.315 10 0 CDAERP CC(C)C[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C1CC1 ZINC001366753295 957163871 /nfs/dbraw/zinc/16/38/71/957163871.db2.gz KLTZAYCORFYVQK-GJZGRUSLSA-N 2 0 295.471 1.953 10 0 CDAERP Cc1cnc(C[NH2+][C@@H](C)CCNC(=O)[C@@H]2CCC[N@@H+]2C)o1 ZINC001424563619 957274898 /nfs/dbraw/zinc/27/48/98/957274898.db2.gz VPSAAXPXLRXLKR-AAEUAGOBSA-N 2 0 294.399 1.062 10 0 CDAERP CC/C=C\CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001317214165 957347640 /nfs/dbraw/zinc/34/76/40/957347640.db2.gz NNWHZKOBMFAFHL-UCCRZTMOSA-N 2 0 291.439 1.341 10 0 CDAERP CC(C)[NH2+][C@@H](C)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001424792769 957360620 /nfs/dbraw/zinc/36/06/20/957360620.db2.gz PGULJBUWUYGHAP-KBPBESRZSA-N 2 0 281.444 1.754 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCCF)[C@@H]2C1 ZINC001332148678 957451488 /nfs/dbraw/zinc/45/14/88/957451488.db2.gz SFYSYCASKUEKBJ-RRFJBIMHSA-N 2 0 299.434 1.514 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CC)CC1(C)C ZINC001425284720 957506453 /nfs/dbraw/zinc/50/64/53/957506453.db2.gz KJUCGMYUJGTKSW-QWHCGFSZSA-N 2 0 287.423 1.513 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CCF ZINC001425582553 957574464 /nfs/dbraw/zinc/57/44/64/957574464.db2.gz UEVXAHFLTHPCNY-ZFWWWQNUSA-N 2 0 299.434 1.799 10 0 CDAERP CCC(CC)C[NH2+][C@@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001425686749 957600780 /nfs/dbraw/zinc/60/07/80/957600780.db2.gz UMPRDOFTRGGZEP-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP CN(CC[NH2+]CCF)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001317649617 957620770 /nfs/dbraw/zinc/62/07/70/957620770.db2.gz WEMXSTUARWLAMZ-UHFFFAOYSA-N 2 0 285.407 1.126 10 0 CDAERP CN(CC[NH2+]CCCC1CCC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001317653453 957623046 /nfs/dbraw/zinc/62/30/46/957623046.db2.gz GQODMKNWRLWPAK-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]CCCF ZINC001317663492 957629710 /nfs/dbraw/zinc/62/97/10/957629710.db2.gz FNBWQZGSNYOJSE-ZDUSSCGKSA-N 2 0 273.396 1.268 10 0 CDAERP COCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001494667507 972283648 /nfs/dbraw/zinc/28/36/48/972283648.db2.gz RRIYQLMAYXSPCT-GJZGRUSLSA-N 2 0 297.443 1.040 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCCOC ZINC001494680490 972287897 /nfs/dbraw/zinc/28/78/97/972287897.db2.gz FATRTLMGMUOPTC-GJZGRUSLSA-N 2 0 297.443 1.040 10 0 CDAERP CC(C)C[NH2+]C[C@H](C)N(C)C(=O)COC1CC[NH+](C)CC1 ZINC001367393562 957989400 /nfs/dbraw/zinc/98/94/00/957989400.db2.gz FXPSXSMSXWJYOA-AWEZNQCLSA-N 2 0 299.459 1.190 10 0 CDAERP CCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](C)C1 ZINC001318304031 958022962 /nfs/dbraw/zinc/02/29/62/958022962.db2.gz MSMFCWLMWLOMDZ-KGLIPLIRSA-N 2 0 267.417 1.461 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]([NH2+]C/C=C\Cl)C(C)C)[NH+](C)C ZINC001367474297 958041390 /nfs/dbraw/zinc/04/13/90/958041390.db2.gz RCNNKPPBCFJWJL-OTHLQRGRSA-N 2 0 289.851 1.810 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001318386165 958068697 /nfs/dbraw/zinc/06/86/97/958068697.db2.gz LCTCGXRHLNHKCA-GJZGRUSLSA-N 2 0 297.443 1.040 10 0 CDAERP CC[C@H](C(=O)N(C)CC[N@H+](C)Cc1ccsc1)[NH+](C)C ZINC001367547370 958124732 /nfs/dbraw/zinc/12/47/32/958124732.db2.gz ZNXMMJNEFSHDKH-CQSZACIVSA-N 2 0 297.468 1.979 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001367960106 958519078 /nfs/dbraw/zinc/51/90/78/958519078.db2.gz PONFVHGRAHXEGE-CABCVRRESA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)C[C@H](C)C[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001367965172 958521664 /nfs/dbraw/zinc/52/16/64/958521664.db2.gz LIDFKIHVLUJPGN-LSDHHAIUSA-N 2 0 283.460 1.811 10 0 CDAERP Cc1c(C(=O)NCC2([NH2+]C(C)C)CC2)ccc2c[nH+]cn21 ZINC001368011296 958574746 /nfs/dbraw/zinc/57/47/46/958574746.db2.gz GANZVNBQCHBDDS-UHFFFAOYSA-N 2 0 286.379 1.903 10 0 CDAERP COCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001319541321 958618678 /nfs/dbraw/zinc/61/86/78/958618678.db2.gz SJRSZIOFEVOYJU-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001368225461 958712902 /nfs/dbraw/zinc/71/29/02/958712902.db2.gz UILIXCRSCPINHZ-HOCLYGCPSA-N 2 0 281.444 1.709 10 0 CDAERP CCC1([NH2+]C[C@@H](C)O)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001368594114 958989137 /nfs/dbraw/zinc/98/91/37/958989137.db2.gz MKLCXXWNUUHEPN-CQSZACIVSA-N 2 0 299.459 1.070 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CC[NH+](C)C)C(C)(C)[C@H]21 ZINC001368692563 959048046 /nfs/dbraw/zinc/04/80/46/959048046.db2.gz GBIRHLAWUPGXCF-KBMXLJTQSA-N 2 0 295.471 1.953 10 0 CDAERP CCCC[NH2+]C[C@H](O)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001320283458 959050774 /nfs/dbraw/zinc/05/07/74/959050774.db2.gz NOKDPWDFHANCCF-GJZGRUSLSA-N 2 0 299.459 1.118 10 0 CDAERP Cc1oncc1C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001368708513 959063796 /nfs/dbraw/zinc/06/37/96/959063796.db2.gz QGKKMAJCTKCJMW-FZMZJTMJSA-N 2 0 294.399 1.062 10 0 CDAERP Cc1ccncc1C[NH2+][C@@H](C)CCNC(=O)CC[NH+](C)C ZINC001368735140 959089403 /nfs/dbraw/zinc/08/94/03/959089403.db2.gz KBBSBRCUAALOET-AWEZNQCLSA-N 2 0 292.427 1.326 10 0 CDAERP CCCC[N@H+](C)C[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001368812691 959151719 /nfs/dbraw/zinc/15/17/19/959151719.db2.gz GYTVOJYRDPHWRF-OAHLLOKOSA-N 2 0 293.455 1.805 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H](C)CC[NH2+]CCF)[NH+](C)C ZINC001320614323 959276551 /nfs/dbraw/zinc/27/65/51/959276551.db2.gz LDSGIROHDAULPQ-VXGBXAGGSA-N 2 0 261.385 1.027 10 0 CDAERP CC(C)[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001369036084 959414020 /nfs/dbraw/zinc/41/40/20/959414020.db2.gz FRUPEGMZMVYRDP-GJZGRUSLSA-N 2 0 283.460 1.952 10 0 CDAERP CCN(CC[NH2+]CC[C@H](C)F)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001320921447 959459599 /nfs/dbraw/zinc/45/95/99/959459599.db2.gz MHAFJXNJIDQIAQ-QWHCGFSZSA-N 2 0 273.396 1.124 10 0 CDAERP CC[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCC3CC3)C[C@H]21)[NH+](C)C ZINC001369152194 959489323 /nfs/dbraw/zinc/48/93/23/959489323.db2.gz DWVORMBKJDYEQH-JONQDZQNSA-N 2 0 293.455 1.421 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC/C=C/C[NH2+]CC1CC(C)C1 ZINC001321418781 959775194 /nfs/dbraw/zinc/77/51/94/959775194.db2.gz IXLPLFFNDVTAMS-AATRIKPKSA-N 2 0 281.444 1.635 10 0 CDAERP C[C@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001321740035 959927202 /nfs/dbraw/zinc/92/72/02/959927202.db2.gz QGWWCUMRLLLTSV-CHWSQXEVSA-N 2 0 269.433 1.469 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]C/C=C/Cl)C2)C1 ZINC001370685096 960183278 /nfs/dbraw/zinc/18/32/78/960183278.db2.gz YVNIAGFXXHLVQF-XVKZEJJWSA-N 2 0 285.819 1.318 10 0 CDAERP CN(CC[NH+]1CCCC1)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001433658114 960488301 /nfs/dbraw/zinc/48/83/01/960488301.db2.gz HAYCESZPEAIFDO-LSDHHAIUSA-N 2 0 281.444 1.661 10 0 CDAERP CCOCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001495470914 972512578 /nfs/dbraw/zinc/51/25/78/972512578.db2.gz VLGQIEFCZWMXHF-KKUMJFAQSA-N 2 0 299.459 1.380 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CN(C)C)o2)C1 ZINC001433890328 960735494 /nfs/dbraw/zinc/73/54/94/960735494.db2.gz VMWHQRRJCFRENF-CYBMUJFWSA-N 2 0 293.411 1.944 10 0 CDAERP CC(C)(C(=O)NC[C@@H]1CCC[N@@H+]1CCCF)[NH+]1CCCC1 ZINC001418616832 960799475 /nfs/dbraw/zinc/79/94/75/960799475.db2.gz HVQVFCHGYFAXPC-AWEZNQCLSA-N 2 0 299.434 1.801 10 0 CDAERP C[C@H]([NH2+]CCNC(=O)C1CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001559737011 960800292 /nfs/dbraw/zinc/80/02/92/960800292.db2.gz FHRNVXLYNCLUSC-DZGCQCFKSA-N 2 0 293.455 1.755 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@H]1CC[C@@H]([NH2+]CC2CCC2)C1 ZINC001418731846 960954655 /nfs/dbraw/zinc/95/46/55/960954655.db2.gz UDGGKKYIIBPGDO-JKSUJKDBSA-N 2 0 293.455 1.757 10 0 CDAERP CCN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001419167822 961455569 /nfs/dbraw/zinc/45/55/69/961455569.db2.gz WVCQUEBFJMIJDN-JKSUJKDBSA-N 2 0 295.471 1.907 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001419176485 961469638 /nfs/dbraw/zinc/46/96/38/961469638.db2.gz SWZWUAVDQQEIHA-MRXNPFEDSA-N 2 0 289.423 1.371 10 0 CDAERP CC(C)C[NH+]1CCC(CCNC(=O)CC[NH+](C)C)CC1 ZINC001419396177 961659639 /nfs/dbraw/zinc/65/96/39/961659639.db2.gz ABKZHBUAKGVWMN-UHFFFAOYSA-N 2 0 283.460 1.812 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCC(C)C)C2)CC[N@@H+]1C ZINC001419478375 961748764 /nfs/dbraw/zinc/74/87/64/961748764.db2.gz XFAPYMPGQYCACW-XUWVNRHRSA-N 2 0 295.471 2.000 10 0 CDAERP CC(C)[C@H](CNC(=O)CC[NH+](C)C)[NH2+]C/C=C\Cl ZINC001419910855 962225970 /nfs/dbraw/zinc/22/59/70/962225970.db2.gz VQTKWNNAPZRISA-HWPRWLFBSA-N 2 0 275.824 1.421 10 0 CDAERP CN(CC[N@H+](C)C[C@@H]1CCCCO1)C(=O)C[NH+]1CCCC1 ZINC001420053019 962424147 /nfs/dbraw/zinc/42/41/47/962424147.db2.gz WYXFXZVJAKUAPE-HNNXBMFYSA-N 2 0 297.443 1.042 10 0 CDAERP CC1CC(C[N@H+](C)CCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001420219420 962596705 /nfs/dbraw/zinc/59/67/05/962596705.db2.gz XCERLXGEMOLZRY-XUJLQICISA-N 2 0 293.455 1.422 10 0 CDAERP C[C@H](C[NH2+]CC1CCCC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001420332992 962756735 /nfs/dbraw/zinc/75/67/35/962756735.db2.gz BBEHCPGZHIXTQV-CYBMUJFWSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@H](C[NH2+]Cc1ccccn1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001420338407 962760831 /nfs/dbraw/zinc/76/08/31/962760831.db2.gz OEAXKXJWEJZYEL-UONOGXRCSA-N 2 0 290.411 1.018 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H]([N@H+](C)CC2CCC2)C1 ZINC001437344188 962815458 /nfs/dbraw/zinc/81/54/58/962815458.db2.gz DCHCIKYPNGNZNE-HNNXBMFYSA-N 2 0 281.444 1.661 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001420491470 962977890 /nfs/dbraw/zinc/97/78/90/962977890.db2.gz DDCWBQGKIYYOJF-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+](CC[C@H](C)F)C1 ZINC001437738361 963154756 /nfs/dbraw/zinc/15/47/56/963154756.db2.gz JDJMAXUJPBYCKT-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001437931413 963244225 /nfs/dbraw/zinc/24/42/25/963244225.db2.gz MJMKKHMYDYOALX-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP CCCN(C(=O)[C@H]1CN(CC)CCO1)[C@@H]1CC[N@H+](CC)C1 ZINC001420821395 963270713 /nfs/dbraw/zinc/27/07/13/963270713.db2.gz BTKIHFOXAIWWGX-HUUCEWRRSA-N 2 0 297.443 1.040 10 0 CDAERP C[N@H+](CCCF)C[C@@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001438003858 963280062 /nfs/dbraw/zinc/28/00/62/963280062.db2.gz WVZRWTSEGPESJL-GJZGRUSLSA-N 2 0 299.434 1.468 10 0 CDAERP CC[C@H](C)C[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001420979276 963401012 /nfs/dbraw/zinc/40/10/12/963401012.db2.gz SWOAYCPPCFLDHC-KBPBESRZSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)[NH2+]CC1(NC(=O)[C@@]23CC[N@H+](C2)CCC3)CCCC1 ZINC001438401733 963441085 /nfs/dbraw/zinc/44/10/85/963441085.db2.gz SVYASESWTQOTPO-INIZCTEOSA-N 2 0 293.455 1.899 10 0 CDAERP CCC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C(C)C ZINC001438808941 963558567 /nfs/dbraw/zinc/55/85/67/963558567.db2.gz IOCGIXWHSBZVOB-RRFJBIMHSA-N 2 0 283.460 1.857 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001438904913 963595827 /nfs/dbraw/zinc/59/58/27/963595827.db2.gz YICNHXRYLCNENN-CQSZACIVSA-N 2 0 283.460 1.765 10 0 CDAERP C[C@@H](C[N@H+](C)CCC1CC1)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001439326498 963723280 /nfs/dbraw/zinc/72/32/80/963723280.db2.gz MJIXQQSKUFUFNG-GZBFAFLISA-N 2 0 281.444 1.563 10 0 CDAERP CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001440280347 963969354 /nfs/dbraw/zinc/96/93/54/963969354.db2.gz XIFBFMVTTKJYND-CABCVRRESA-N 2 0 281.444 1.659 10 0 CDAERP CC[C@@H](C(=O)N1CCC(C)([NH2+]C[C@H](C)OC)CC1)[NH+](C)C ZINC001440604583 964117517 /nfs/dbraw/zinc/11/75/17/964117517.db2.gz KOOAXVCPFYXAAA-KBPBESRZSA-N 2 0 299.459 1.332 10 0 CDAERP C[C@@H]([NH2+]CCF)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001440798342 964186890 /nfs/dbraw/zinc/18/68/90/964186890.db2.gz JSKVFKIFYKEVBI-OLZOCXBDSA-N 2 0 285.407 1.315 10 0 CDAERP C[C@@H](NC(=O)C12CCC[NH+]1CCC2)[C@@H](C)[NH2+]CC1CC1 ZINC001440801003 964188781 /nfs/dbraw/zinc/18/87/81/964188781.db2.gz DQLUOOFLTWKOEB-CHWSQXEVSA-N 2 0 279.428 1.508 10 0 CDAERP C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@H](C)[NH2+]CCF ZINC001440827179 964201183 /nfs/dbraw/zinc/20/11/83/964201183.db2.gz PLVGCXGLUIXKBA-RYUDHWBXSA-N 2 0 273.396 1.313 10 0 CDAERP CC(C)CC[NH2+][C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001441231782 964426803 /nfs/dbraw/zinc/42/68/03/964426803.db2.gz YGHZHNUJPUCVNI-ZBFHGGJFSA-N 2 0 295.471 1.859 10 0 CDAERP CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001441316238 964459980 /nfs/dbraw/zinc/45/99/80/964459980.db2.gz UPULCTLNBKBOET-ZQDZILKHSA-N 2 0 279.428 1.175 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@@]12CCC[C@H]1[N@H+](CC)CC2 ZINC001441876675 964763615 /nfs/dbraw/zinc/76/36/15/964763615.db2.gz RVRIBAYKIHRLBV-SQWLQELKSA-N 2 0 299.434 1.799 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccsc1 ZINC001442048759 964843799 /nfs/dbraw/zinc/84/37/99/964843799.db2.gz KKYBXIDUHRCKHG-AAEUAGOBSA-N 2 0 281.425 1.294 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001442181714 964897355 /nfs/dbraw/zinc/89/73/55/964897355.db2.gz SLPVMZPUZYXPPK-ZIAGYGMSSA-N 2 0 285.407 1.268 10 0 CDAERP CC[NH+]1CCC([C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001442204510 964911518 /nfs/dbraw/zinc/91/15/18/964911518.db2.gz MZQCZKHJGFJINM-ZIAGYGMSSA-N 2 0 281.444 1.565 10 0 CDAERP CCN1CC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC001556506951 965050000 /nfs/dbraw/zinc/05/00/00/965050000.db2.gz DEHQSWHXQZZSJT-MGPQQGTHSA-N 2 0 265.401 1.166 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)C1 ZINC001442559637 965117116 /nfs/dbraw/zinc/11/71/16/965117116.db2.gz MVJRWRQGQIGYNL-BZUAXINKSA-N 2 0 293.455 1.804 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH+](CC1CC1)C1CC1 ZINC001443062084 965337574 /nfs/dbraw/zinc/33/75/74/965337574.db2.gz PLKROAXEVVGXSY-OKILXGFUSA-N 2 0 293.455 1.850 10 0 CDAERP CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]Cc1cc(C)no1 ZINC001444043383 965722246 /nfs/dbraw/zinc/72/22/46/965722246.db2.gz RUIJOZYTBHGOEP-ZDUSSCGKSA-N 2 0 296.415 1.308 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH2+]CC(C)C)[C@@H](C)C1 ZINC001349486862 966363163 /nfs/dbraw/zinc/36/31/63/966363163.db2.gz IRFIBPATKDKRNI-UONOGXRCSA-N 2 0 269.433 1.421 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H]1C[NH2+]Cc1cccnc1 ZINC001446442798 966545685 /nfs/dbraw/zinc/54/56/85/966545685.db2.gz GVPKLZOEPRRLPJ-HNNXBMFYSA-N 2 0 290.411 1.114 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@@](C)(C[NH2+]CC2CCC2)C1 ZINC001446603785 966595646 /nfs/dbraw/zinc/59/56/46/966595646.db2.gz JGPDDLOYYKQCFG-INIZCTEOSA-N 2 0 281.444 1.566 10 0 CDAERP CCC(CC)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001447577522 966821520 /nfs/dbraw/zinc/82/15/20/966821520.db2.gz ZDPLNNXFCRONIS-GOEBONIOSA-N 2 0 295.471 1.955 10 0 CDAERP [NH3+]Cc1ccc2c(c1)N(C[C@@H]1CCC[NH2+]C1)CCO2 ZINC001351801605 967003259 /nfs/dbraw/zinc/00/32/59/967003259.db2.gz RQIBZZWUBGPEIX-CYBMUJFWSA-N 2 0 261.369 1.344 10 0 CDAERP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)[C@@H]1CCCCO1 ZINC000847076821 967022070 /nfs/dbraw/zinc/02/20/70/967022070.db2.gz GBMHCOCHWCZGRF-ILXRZTDVSA-N 2 0 270.417 1.380 10 0 CDAERP C[NH+](C)CCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001538774888 967069555 /nfs/dbraw/zinc/06/95/55/967069555.db2.gz GBGKSARPNDIFPF-QWHCGFSZSA-N 2 0 255.406 1.175 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@@H]1[C@H]2C[NH+](C[C@@H](F)CC)C[C@H]21 ZINC001448475769 967122240 /nfs/dbraw/zinc/12/22/40/967122240.db2.gz YFJLONAULWCWCZ-ZQDZILKHSA-N 2 0 299.434 1.370 10 0 CDAERP CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001480123138 967122655 /nfs/dbraw/zinc/12/26/55/967122655.db2.gz YITUPXOMAZMDAB-AWEZNQCLSA-N 2 0 267.417 1.463 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@]12CCC[C@@H]1[N@H+](CC1CC1)CC2 ZINC001449006781 967330373 /nfs/dbraw/zinc/33/03/73/967330373.db2.gz GRRCCBOIGPTARW-RDJZCZTQSA-N 2 0 293.455 1.851 10 0 CDAERP CC[N@H+](C)[C@H]1CCN(C(=O)NC[C@H]2CC[NH+]2C(C)(C)C)C1 ZINC001413889542 970023783 /nfs/dbraw/zinc/02/37/83/970023783.db2.gz BHJJYPHJSAAKLD-KGLIPLIRSA-N 2 0 296.459 1.595 10 0 CDAERP Cc1ncc(C[NH2+][C@@H](C)CNC(=O)C[NH+]2CCCC2)s1 ZINC001480591740 970072679 /nfs/dbraw/zinc/07/26/79/970072679.db2.gz NSQYOMDMPSZFLI-NSHDSACASA-N 2 0 296.440 1.142 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC001361702223 970439922 /nfs/dbraw/zinc/43/99/22/970439922.db2.gz SALNTEZZLJWWOY-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H]3[C@H]2CCC[NH+]3C)C1 ZINC001471685777 970466374 /nfs/dbraw/zinc/46/63/74/970466374.db2.gz JAOVHTODMJYDNY-MGPQQGTHSA-N 2 0 265.401 1.023 10 0 CDAERP CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+]2C2CCCC2)C1 ZINC001472451505 970648459 /nfs/dbraw/zinc/64/84/59/970648459.db2.gz VBCFODCXXHXGFZ-GJZGRUSLSA-N 2 0 279.428 1.556 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)CC[N@@H+]2CC[C@@H](F)C2)C1 ZINC001361989600 970747174 /nfs/dbraw/zinc/74/71/74/970747174.db2.gz POFODWPOQOAHLQ-ZIAGYGMSSA-N 2 0 285.407 1.363 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@H]([NH2+]CCC2CC2)C1 ZINC001371628038 972570647 /nfs/dbraw/zinc/57/06/47/972570647.db2.gz DJIBUWYPEVPCSP-GJZGRUSLSA-N 2 0 281.444 1.755 10 0 CDAERP CO[C@@H](C)C[NH2+][C@H](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001371803554 972642311 /nfs/dbraw/zinc/64/23/11/972642311.db2.gz AHUXBOUILFSXBQ-KGLIPLIRSA-N 2 0 299.459 1.380 10 0 CDAERP C[C@@H](C[NH2+]CCCF)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001496076310 972785904 /nfs/dbraw/zinc/78/59/04/972785904.db2.gz BHLXQQWKHGTSSN-LBPRGKRZSA-N 2 0 273.396 1.267 10 0 CDAERP C[C@@H](C[NH2+]CC1CCC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001496228868 972847683 /nfs/dbraw/zinc/84/76/83/972847683.db2.gz DGYHTVIOGFYNJM-JSGCOSHPSA-N 2 0 267.417 1.175 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)CC1CC1 ZINC001372361611 972931863 /nfs/dbraw/zinc/93/18/63/972931863.db2.gz QKODFQUAKMWIMA-CVEARBPZSA-N 2 0 293.455 1.851 10 0 CDAERP CCC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC001496572842 972976845 /nfs/dbraw/zinc/97/68/45/972976845.db2.gz DQHTXNJGSJSVJP-KGLIPLIRSA-N 2 0 269.433 1.611 10 0 CDAERP CCC[N@H+](CCCF)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001372738537 973103074 /nfs/dbraw/zinc/10/30/74/973103074.db2.gz AGOHYLGVUWMSAI-UHFFFAOYSA-N 2 0 285.407 1.270 10 0 CDAERP CC(C)[N@H+](CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C1CC1 ZINC001372905405 973192518 /nfs/dbraw/zinc/19/25/18/973192518.db2.gz MBYBXZANAMFUDH-KBPBESRZSA-N 2 0 281.444 1.848 10 0 CDAERP CC(C)C[NH2+][C@H](C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001373026034 973230605 /nfs/dbraw/zinc/23/06/05/973230605.db2.gz DJOSJXXOBRTXLW-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)C1(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CCCC1 ZINC001417670061 973265573 /nfs/dbraw/zinc/26/55/73/973265573.db2.gz XDHFRBVLMSCWSR-LSDHHAIUSA-N 2 0 293.455 1.804 10 0 CDAERP CC[C@@H](F)C[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001497417860 973337901 /nfs/dbraw/zinc/33/79/01/973337901.db2.gz NGGSAPQJMBTXHV-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP CCN(CC[NH2+]CCCC1CCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001497496051 973365803 /nfs/dbraw/zinc/36/58/03/973365803.db2.gz PZJXHNZMKJXZFQ-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(C[NH+](C)C)nc1 ZINC001417770127 973375191 /nfs/dbraw/zinc/37/51/91/973375191.db2.gz UJBAMEXTCYBUSQ-CYBMUJFWSA-N 2 0 292.427 1.603 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)CC[N@@H+]1C[C@H](C)OC ZINC001417826986 973403299 /nfs/dbraw/zinc/40/32/99/973403299.db2.gz RQJQMZYNVGZYNV-SOUVJXGZSA-N 2 0 299.459 1.331 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCOC(C)C)[C@@H]1C ZINC001417852865 973417709 /nfs/dbraw/zinc/41/77/09/973417709.db2.gz WYPWRVUXSNECPE-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)CCC[NH+]1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001373470835 973455245 /nfs/dbraw/zinc/45/52/45/973455245.db2.gz BVTOLKGBYWKUAK-CQSZACIVSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H](F)CC[NH2+]C/C=C/CNC(=O)CC1CC[NH+](C)CC1 ZINC001497690570 973466962 /nfs/dbraw/zinc/46/69/62/973466962.db2.gz HBGDLTWWAIONRV-RDFMZFSFSA-N 2 0 299.434 1.728 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001417935838 973482782 /nfs/dbraw/zinc/48/27/82/973482782.db2.gz QUKSNCMVLMPDOA-OLZOCXBDSA-N 2 0 285.407 1.409 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001373594578 973509799 /nfs/dbraw/zinc/50/97/99/973509799.db2.gz WGQSBWPLEVSHSK-GJZGRUSLSA-N 2 0 283.460 1.809 10 0 CDAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCCF ZINC001497926725 973579054 /nfs/dbraw/zinc/57/90/54/973579054.db2.gz JKGNBLBZLLNFMV-KGLIPLIRSA-N 2 0 287.423 1.703 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C[NH2+]CC=C(Cl)Cl)[NH+](C)C ZINC001498160371 973719964 /nfs/dbraw/zinc/71/99/64/973719964.db2.gz LUBOFMORGMGYFY-VHSXEESVSA-N 2 0 296.242 1.740 10 0 CDAERP CCC/C=C\CC[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001498190681 973733186 /nfs/dbraw/zinc/73/31/86/973733186.db2.gz RLTVDOMXWWPWRX-BEWKBBBFSA-N 2 0 281.444 1.779 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)CC[NH+]2CC[C@H](F)C2)C1 ZINC001418426126 973819854 /nfs/dbraw/zinc/81/98/54/973819854.db2.gz FNLUNOCDOHSFMC-KGLIPLIRSA-N 2 0 299.434 1.657 10 0 CDAERP C[C@@H](F)CC[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001498655563 974013491 /nfs/dbraw/zinc/01/34/91/974013491.db2.gz RLDCBRNOIHTTIE-CHWSQXEVSA-N 2 0 273.396 1.124 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)CCN(C)Cc1cncs1 ZINC001374551326 974016088 /nfs/dbraw/zinc/01/60/88/974016088.db2.gz VESUAARNRWZNBA-UHFFFAOYSA-N 2 0 298.456 1.375 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H](NC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001498771106 974056463 /nfs/dbraw/zinc/05/64/63/974056463.db2.gz SZVWLKQPKWLICO-KBPBESRZSA-N 2 0 299.434 1.703 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]Cc1cncs1)C1CC1 ZINC001498819528 974070519 /nfs/dbraw/zinc/07/05/19/974070519.db2.gz UVPTVDQWWIMKAA-CYBMUJFWSA-N 2 0 296.440 1.079 10 0 CDAERP CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](CC)[NH+](CC)CC ZINC001499926671 974337973 /nfs/dbraw/zinc/33/79/73/974337973.db2.gz PPLISHXPBNAYFR-KBPBESRZSA-N 2 0 269.433 1.707 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@H]1CCCN1C(=O)CC[N@H+](C)CC ZINC001499938576 974340277 /nfs/dbraw/zinc/34/02/77/974340277.db2.gz BTXFKGDRVRQYLP-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP C[NH+](C)CCCC(=O)N1CC[C@@](C)(C[NH2+]CCC2CC2)C1 ZINC001500374224 974428849 /nfs/dbraw/zinc/42/88/49/974428849.db2.gz IMGGJKKNZFRGRQ-KRWDZBQOSA-N 2 0 295.471 1.957 10 0 CDAERP CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001500372272 974428980 /nfs/dbraw/zinc/42/89/80/974428980.db2.gz KMPUOIAJCNOYKT-YQQAZPJKSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)CCCn2ccnc2)CC[N@@H+]1CC1CC1 ZINC001375671740 974451814 /nfs/dbraw/zinc/45/18/14/974451814.db2.gz RDOKZPIVZILMCZ-HIFRSBDPSA-N 2 0 290.411 1.652 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]CCCF)C1 ZINC001501150456 974542392 /nfs/dbraw/zinc/54/23/92/974542392.db2.gz RWCDFPBQQDZJEH-KBPBESRZSA-N 2 0 287.423 1.372 10 0 CDAERP CC(C)[NH2+]CCN(CCO)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001501497399 974590905 /nfs/dbraw/zinc/59/09/05/974590905.db2.gz WXDHUCSMZVKLBO-OAHLLOKOSA-N 2 0 299.459 1.068 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCC[NH+](CCF)C2)C1 ZINC001376538263 974683403 /nfs/dbraw/zinc/68/34/03/974683403.db2.gz GNUCIJYCXPSLSM-KBPBESRZSA-N 2 0 285.407 1.126 10 0 CDAERP CN(CCC[N@H+](C)CC1CC1)C(=O)CC[NH+](C)C ZINC001502371353 974728251 /nfs/dbraw/zinc/72/82/51/974728251.db2.gz ILAIAKKMNMKGFK-UHFFFAOYSA-N 2 0 255.406 1.128 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](CC2CCC2)CC1 ZINC001376903445 974810949 /nfs/dbraw/zinc/81/09/49/974810949.db2.gz QZWHXPQCYSNMBT-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H]([N@H+](C)CCC2CC2)C1 ZINC001376982695 974838498 /nfs/dbraw/zinc/83/84/98/974838498.db2.gz SRSXAAXARTYYJS-OAHLLOKOSA-N 2 0 281.444 1.661 10 0 CDAERP CCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001377007187 974851167 /nfs/dbraw/zinc/85/11/67/974851167.db2.gz XEAFUSOMFXMURE-GJZGRUSLSA-N 2 0 281.444 1.661 10 0 CDAERP C[C@@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]C/C=C/Cl ZINC001377064051 974872612 /nfs/dbraw/zinc/87/26/12/974872612.db2.gz FAGZZPIVKJGWJB-OIOWFRMASA-N 2 0 287.835 1.565 10 0 CDAERP CCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001377155569 974908185 /nfs/dbraw/zinc/90/81/85/974908185.db2.gz WLUBQSGYGSTFMM-CQSZACIVSA-N 2 0 281.444 1.851 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001377172243 974911545 /nfs/dbraw/zinc/91/15/45/974911545.db2.gz GNPZMUUKNXMBGG-JHJVBQTASA-N 2 0 278.400 1.607 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)CCC1CC1 ZINC001377185025 974917981 /nfs/dbraw/zinc/91/79/81/974917981.db2.gz VPVNTGMUKRSSBD-HZPDHXFCSA-N 2 0 293.455 1.851 10 0 CDAERP Cc1c(C(=O)N[C@H](C)[C@@H](C)[NH2+]CCF)ccc2c[nH+]cn21 ZINC001505640829 974947341 /nfs/dbraw/zinc/94/73/41/974947341.db2.gz KQYNKSBNVNRWFN-GHMZBOCLSA-N 2 0 292.358 1.709 10 0 CDAERP Cc1ncoc1C[NH2+][C@H](C)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001505679500 974961567 /nfs/dbraw/zinc/96/15/67/974961567.db2.gz VRKDWYSUPFDRNM-NEPJUHHUSA-N 2 0 296.415 1.308 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)CCCF ZINC001505989399 975073959 /nfs/dbraw/zinc/07/39/59/975073959.db2.gz SVSMHXFUWQYYOL-IHRRRGAJSA-N 2 0 287.423 1.513 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)CC1CC1 ZINC001377682341 975111277 /nfs/dbraw/zinc/11/12/77/975111277.db2.gz ZCBRBXCATLHUIU-OAHLLOKOSA-N 2 0 281.444 1.659 10 0 CDAERP CC(C)C[NH+]1CC([C@@H](C)NC(=O)CCCC[NH+](C)C)C1 ZINC001506662866 975199208 /nfs/dbraw/zinc/19/92/08/975199208.db2.gz HICLVOSJDQPZDC-CQSZACIVSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@]2(C1)C[NH+](C(C)C)CCO2 ZINC001506721320 975206075 /nfs/dbraw/zinc/20/60/75/975206075.db2.gz AQCVZLBHZNGJAQ-INIZCTEOSA-N 2 0 297.443 1.038 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[N@H+](C)CCCF ZINC001378039047 975216491 /nfs/dbraw/zinc/21/64/91/975216491.db2.gz CYJCTGPHLBJEAV-TZMCWYRMSA-N 2 0 285.407 1.124 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@](C)(C[NH2+]CC1CC1)C1CC1 ZINC001378419457 975348551 /nfs/dbraw/zinc/34/85/51/975348551.db2.gz XWZUZNKZPCTRJC-DOTOQJQBSA-N 2 0 293.455 1.755 10 0 CDAERP CCCCCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001507152610 975356760 /nfs/dbraw/zinc/35/67/60/975356760.db2.gz DLDNBLLLNYMPME-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001404647230 975447467 /nfs/dbraw/zinc/44/74/67/975447467.db2.gz DKYSWQNLJGAIPD-KKUMJFAQSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+]Cc1ccns1 ZINC001401160749 975490567 /nfs/dbraw/zinc/49/05/67/975490567.db2.gz YPYBAQKORYNHJP-GFCCVEGCSA-N 2 0 298.456 1.325 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CC2CC2)C1 ZINC001378824988 975505786 /nfs/dbraw/zinc/50/57/86/975505786.db2.gz TWEHMCYGDBDSAW-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]CCCF)C(C)(C)C)C1 ZINC001508024397 975578270 /nfs/dbraw/zinc/57/82/70/975578270.db2.gz FOFZSHUEKDSGOH-STQMWFEESA-N 2 0 287.423 1.418 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)NCC1=CC[N@H+](CC)CC1 ZINC001508207278 975638154 /nfs/dbraw/zinc/63/81/54/975638154.db2.gz RJUXKYGAFHYEAR-AWEZNQCLSA-N 2 0 285.407 1.435 10 0 CDAERP CC[C@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CCC1)[NH+](C)C ZINC001397578447 975639708 /nfs/dbraw/zinc/63/97/08/975639708.db2.gz XFPKRLUJZMQCGP-HUUCEWRRSA-N 2 0 281.444 1.659 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1ccc(F)cc1)[NH+](C)C ZINC001401631315 975750862 /nfs/dbraw/zinc/75/08/62/975750862.db2.gz CGBSUYVICLCPOB-IUODEOHRSA-N 2 0 295.402 1.760 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]CC1CCCC1 ZINC001405630722 975791898 /nfs/dbraw/zinc/79/18/98/975791898.db2.gz AWUIKAHKKAKJIR-IIAWOOMASA-N 2 0 295.471 1.859 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C[NH2+]CC1CC(F)(F)C1)[NH+](C)C ZINC001379380975 975809902 /nfs/dbraw/zinc/80/99/02/975809902.db2.gz AWQRVZWSYZUUJO-ZYHUDNBSSA-N 2 0 291.386 1.466 10 0 CDAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC1CCC1 ZINC001379505073 975894549 /nfs/dbraw/zinc/89/45/49/975894549.db2.gz BPBSSHPXSUFBIK-DZGCQCFKSA-N 2 0 281.444 1.754 10 0 CDAERP CC(C)[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001379623236 975964907 /nfs/dbraw/zinc/96/49/07/975964907.db2.gz NGMWMKKUWDZPFV-QLFBSQMISA-N 2 0 281.444 1.563 10 0 CDAERP O=C(N[C@H]1C[C@H]([NH2+]C/C=C/Cl)C1)C12CC[NH+](CC1)C2 ZINC001398560355 976043317 /nfs/dbraw/zinc/04/33/17/976043317.db2.gz CRXZAOFCXHJNJP-TYBBYJKFSA-N 2 0 283.803 1.072 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001401978541 976054956 /nfs/dbraw/zinc/05/49/56/976054956.db2.gz ZQLXWTKSDQGFIH-NEPJUHHUSA-N 2 0 273.396 1.313 10 0 CDAERP CC[C@@H](C)C[N@H+](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001379768840 976060645 /nfs/dbraw/zinc/06/06/45/976060645.db2.gz SWVYAQDGIOAPGF-KGLIPLIRSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)C[NH+]1CCC(C)(NC(=O)C[NH+]2CCCC2)CC1 ZINC001402087700 976115307 /nfs/dbraw/zinc/11/53/07/976115307.db2.gz OIOILBUEYFPKMJ-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001398712340 976117345 /nfs/dbraw/zinc/11/73/45/976117345.db2.gz UXGXQCHNJKIXLI-CABCVRRESA-N 2 0 281.444 1.566 10 0 CDAERP CCC[N@@H+]1CCC[C@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001398712357 976117586 /nfs/dbraw/zinc/11/75/86/976117586.db2.gz UXGXQCHNJKIXLI-LSDHHAIUSA-N 2 0 281.444 1.566 10 0 CDAERP C[C@H](C[NH2+]Cc1ccccn1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001406391362 976163171 /nfs/dbraw/zinc/16/31/71/976163171.db2.gz HYZWQFFXIZWCON-HIFRSBDPSA-N 2 0 290.411 1.160 10 0 CDAERP C[C@H](C[N@H+](C)CCC1CCOCC1)NC(=O)CC[NH+](C)C ZINC001406658758 976339367 /nfs/dbraw/zinc/33/93/67/976339367.db2.gz VNVLDDRTBWDJLS-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cncs2)C1 ZINC001390575394 976375695 /nfs/dbraw/zinc/37/56/95/976375695.db2.gz NMXDTSAGEQUQNO-LBPRGKRZSA-N 2 0 296.440 1.174 10 0 CDAERP CC[C@H](F)C[NH2+][C@H](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001390695396 976441599 /nfs/dbraw/zinc/44/15/99/976441599.db2.gz CKXQUHHAPXQFQB-OCCSQVGLSA-N 2 0 287.423 1.561 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001390759740 976490271 /nfs/dbraw/zinc/49/02/71/976490271.db2.gz XOAPTGYTDRGTAE-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@]1(C)CCC[NH+](CC2CC2)C1 ZINC001407305137 976633333 /nfs/dbraw/zinc/63/33/33/976633333.db2.gz QKQAPNHWTVUXHT-QGZVFWFLSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CC[NH+](CCC3CC3)CC2)CC[N@@H+]1C ZINC001381089225 976669753 /nfs/dbraw/zinc/66/97/53/976669753.db2.gz ULCYGRBJZUALOM-UKRRQHHQSA-N 2 0 279.428 1.271 10 0 CDAERP Cc1ccc(C)c(C[NH2+][C@H](C)CNC(=O)CC[NH+](C)C)c1 ZINC001403056953 976685117 /nfs/dbraw/zinc/68/51/17/976685117.db2.gz YIDJBKRBGVULHA-OAHLLOKOSA-N 2 0 291.439 1.849 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC(C)([NH2+]CC(C)C)CC1 ZINC001381131680 976685369 /nfs/dbraw/zinc/68/53/69/976685369.db2.gz UAGHUGCRFMMBMD-UHFFFAOYSA-N 2 0 283.460 1.955 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+](CCC(C)C)C1 ZINC001391114253 976698393 /nfs/dbraw/zinc/69/83/93/976698393.db2.gz RCSLHJSBLHZNBK-HNNXBMFYSA-N 2 0 283.460 1.812 10 0 CDAERP C[C@@H]1[C@H](C(=O)NCC[C@@H]2CC[NH+](CCCF)C2)CC[N@@H+]1C ZINC001391294192 976798972 /nfs/dbraw/zinc/79/89/72/976798972.db2.gz IAHVOJYMRNXBBR-RBSFLKMASA-N 2 0 299.434 1.514 10 0 CDAERP C[NH+](C)CCC(=O)NCC[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001391327580 976802347 /nfs/dbraw/zinc/80/23/47/976802347.db2.gz VKFWLXJWGFDHLX-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)C[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001400034134 976817062 /nfs/dbraw/zinc/81/70/62/976817062.db2.gz VDOUGLAQYVYJCU-AWEZNQCLSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)[NH2+][C@@H](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001408212458 976964570 /nfs/dbraw/zinc/96/45/70/976964570.db2.gz NSURAZAKVVNJRA-AWEZNQCLSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC[C@H](C)F ZINC001391747869 977082066 /nfs/dbraw/zinc/08/20/66/977082066.db2.gz HVUIKKOODNLQLW-STQMWFEESA-N 2 0 273.396 1.315 10 0 CDAERP CC1CC(C[NH+]2CC(CNC(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001400553252 977090046 /nfs/dbraw/zinc/09/00/46/977090046.db2.gz SWGBMTZHGIGZMI-SHARSMKWSA-N 2 0 293.455 1.422 10 0 CDAERP CC(C)CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001403732835 977168224 /nfs/dbraw/zinc/16/82/24/977168224.db2.gz FTBCZNHFFWEONJ-LSDHHAIUSA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cccc(F)c1 ZINC001400862608 977228754 /nfs/dbraw/zinc/22/87/54/977228754.db2.gz UBVNZKDXSVUEQT-HNNXBMFYSA-N 2 0 295.402 1.762 10 0 CDAERP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cc(C)no1 ZINC001400937670 977250697 /nfs/dbraw/zinc/25/06/97/977250697.db2.gz XNFHLTDPEBFVLX-CYBMUJFWSA-N 2 0 294.399 1.063 10 0 CDAERP COC[C@H](C)[N@H+](C)CCN(C(=O)[C@@H]1CC[NH+](C)C1)C(C)C ZINC001403949380 977277548 /nfs/dbraw/zinc/27/75/48/977277548.db2.gz WHPUVNNMNVVKCQ-LSDHHAIUSA-N 2 0 299.459 1.142 10 0 CDAERP C[NH+](C)CCC(=O)NCC1([NH2+]CC[C@@H]2CCCCO2)CC1 ZINC001392931179 977655666 /nfs/dbraw/zinc/65/56/66/977655666.db2.gz XELZIWGRMGJSIL-AWEZNQCLSA-N 2 0 297.443 1.136 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001393052665 977688082 /nfs/dbraw/zinc/68/80/82/977688082.db2.gz IBIHZTOWNBXASA-CABCVRRESA-N 2 0 281.444 1.565 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C)([NH2+]CCF)CC1 ZINC001393749292 977907521 /nfs/dbraw/zinc/90/75/21/977907521.db2.gz DWZCIAYYQCKRQC-CQSZACIVSA-N 2 0 299.434 1.801 10 0 CDAERP CC[C@@H](C)C[NH2+]CC1CC(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001393905593 977953482 /nfs/dbraw/zinc/95/34/82/977953482.db2.gz DXWDAOVCBFFADK-WLYUNCDWSA-N 2 0 283.460 1.857 10 0 CDAERP CC(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001394828428 978277112 /nfs/dbraw/zinc/27/71/12/978277112.db2.gz OXVJHLMIVBOWQY-ZIAGYGMSSA-N 2 0 283.460 1.715 10 0 CDAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CCC[NH2+]CCF ZINC001571253508 1170355792 /nfs/dbraw/zinc/35/57/92/1170355792.db2.gz LOCDHPOQNRZHMD-ZIAGYGMSSA-N 2 0 287.423 1.703 10 0 CDAERP C[C@@H](CCC[NH2+]CC1CC1)NC(=O)C[NH+]1CCCC1 ZINC001571324687 1170366704 /nfs/dbraw/zinc/36/67/04/1170366704.db2.gz LSJBURUGNCLWIN-ZDUSSCGKSA-N 2 0 267.417 1.367 10 0 CDAERP C[C@@H]1[C@@H]([NH2+]CCCCCF)CCN1C(=O)C[NH+]1CCCC1 ZINC001571467235 1170440303 /nfs/dbraw/zinc/44/03/03/1170440303.db2.gz IBBALVYTCMLWGX-CABCVRRESA-N 2 0 299.434 1.801 10 0 CDAERP C[C@@H]1C[C@@H](C[NH+]2CCC(Cn3cnnc3)CC2)CC[NH2+]1 ZINC000650710672 398154057 /nfs/dbraw/zinc/15/40/57/398154057.db2.gz WRJMCAZTWVCIKP-HIFRSBDPSA-N 2 0 277.416 1.378 10 0 CDAERP CC(C)C[C@@H]([NH3+])CNCc1ccc(C[NH3+])cc1F ZINC000650716594 398157582 /nfs/dbraw/zinc/15/75/82/398157582.db2.gz CWXAMPPMJOTCKE-CYBMUJFWSA-N 2 0 253.365 1.747 10 0 CDAERP COC(=O)c1cccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000601327343 342554155 /nfs/dbraw/zinc/55/41/55/342554155.db2.gz UAZSMJMASAEOSB-BXUZGUMPSA-N 2 0 262.353 1.500 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000167530241 342073705 /nfs/dbraw/zinc/07/37/05/342073705.db2.gz NHGWRFNXPBOJIH-YNEHKIRRSA-N 2 0 253.390 1.057 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccc(C[NH3+])cc1 ZINC000061642264 282119139 /nfs/dbraw/zinc/11/91/39/282119139.db2.gz DPNYJUPKGWYPFB-AWEZNQCLSA-N 2 0 261.369 1.312 10 0 CDAERP C[C@]1(C(=O)NCC[NH+]2CCCCCC2)CCCC[NH2+]1 ZINC000136199759 342071494 /nfs/dbraw/zinc/07/14/94/342071494.db2.gz UQLRQWOWCOYQJR-OAHLLOKOSA-N 2 0 267.417 1.511 10 0 CDAERP C[NH+](C)CCCCC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000591101599 342617965 /nfs/dbraw/zinc/61/79/65/342617965.db2.gz XMJQQJDBOHIVLF-UHFFFAOYSA-N 2 0 281.404 1.115 10 0 CDAERP [NH3+]CCN1CC[NH2+]C[C@@H]1c1cc2ccccc2cn1 ZINC000616636860 342122010 /nfs/dbraw/zinc/12/20/10/342122010.db2.gz QIWBJNNBKCSWJT-OAHLLOKOSA-N 2 0 256.353 1.140 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000591571602 342637496 /nfs/dbraw/zinc/63/74/96/342637496.db2.gz QYQKAHZERRZDMC-GJZGRUSLSA-N 2 0 294.443 1.350 10 0 CDAERP Cc1cnn(CC[NH+]2CCC(OCCC[NH3+])CC2)c1 ZINC000311525047 342151547 /nfs/dbraw/zinc/15/15/47/342151547.db2.gz FTIDLMJZNDLBHQ-UHFFFAOYSA-N 2 0 266.389 1.021 10 0 CDAERP c1ccc(C[N@H+]2CCC[C@H](CNC3=[NH+]CCCN3)C2)cc1 ZINC000395082160 342197104 /nfs/dbraw/zinc/19/71/04/342197104.db2.gz ATHUUIPKZSPTMM-MRXNPFEDSA-N 2 0 286.423 1.838 10 0 CDAERP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]CCOCCC[NH3+] ZINC000629399888 361936482 /nfs/dbraw/zinc/93/64/82/361936482.db2.gz YGNIJVMWXMENRA-CQSZACIVSA-N 2 0 293.411 1.383 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1cccc(OC(F)F)c1 ZINC000629400061 361936491 /nfs/dbraw/zinc/93/64/91/361936491.db2.gz ZOVKZQIZCGAHQS-UHFFFAOYSA-N 2 0 274.311 1.743 10 0 CDAERP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCOCCC[NH3+])CC2)C1 ZINC000629399959 361937134 /nfs/dbraw/zinc/93/71/34/361937134.db2.gz NFEHZBDJWQFUDY-NVXWUHKLSA-N 3 0 297.487 1.985 10 0 CDAERP OCC1(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CCCC1 ZINC000622043618 342226307 /nfs/dbraw/zinc/22/63/07/342226307.db2.gz FTLDTEMFDKGQEW-RRFJBIMHSA-N 2 0 282.428 1.286 10 0 CDAERP C[NH+](C)CCOC1CC[NH+](Cc2cncnc2)CC1 ZINC000353516950 539098161 /nfs/dbraw/zinc/09/81/61/539098161.db2.gz HIZHSLUNKWOMEY-UHFFFAOYSA-N 2 0 264.373 1.019 10 0 CDAERP CC[NH2+]CC1CC[NH+](Cc2ccc(OC)nc2)CC1 ZINC000158333905 342282453 /nfs/dbraw/zinc/28/24/53/342282453.db2.gz PBHNUYSVRGNVGX-UHFFFAOYSA-N 2 0 263.385 1.912 10 0 CDAERP COc1cc(C)nc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000214046349 536689881 /nfs/dbraw/zinc/68/98/81/536689881.db2.gz BKFHPOJQSLTCDA-CYBMUJFWSA-N 2 0 263.385 1.959 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000594932509 342975945 /nfs/dbraw/zinc/97/59/45/342975945.db2.gz RBIAXXHWJKZQKO-MGPQQGTHSA-N 2 0 298.427 1.009 10 0 CDAERP COC(=O)CC[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595901490 343187166 /nfs/dbraw/zinc/18/71/66/343187166.db2.gz WZQJYVBAZPIALA-ZDUSSCGKSA-N 2 0 254.374 1.261 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1sc(C)nc1C ZINC000629528851 362155147 /nfs/dbraw/zinc/15/51/47/362155147.db2.gz KZUCRKSHXZUHOJ-VIFPVBQESA-N 2 0 257.403 1.647 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1cccc(F)c1F ZINC000629529705 362156169 /nfs/dbraw/zinc/15/61/69/362156169.db2.gz LKDYRVGZWINVAX-JTQLQIEISA-N 2 0 258.312 1.851 10 0 CDAERP CC[C@H]([NH2+]CCOCC[NH2+]C)c1ccc(F)cn1 ZINC000629529622 362159131 /nfs/dbraw/zinc/15/91/31/362159131.db2.gz IVDABAIHMFROEL-LBPRGKRZSA-N 2 0 255.337 1.497 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)c1nc2c(s1)CCCC2 ZINC000629529995 362161971 /nfs/dbraw/zinc/16/19/71/362161971.db2.gz SKCDQILYWANICH-LLVKDONJSA-N 2 0 283.441 1.909 10 0 CDAERP CC(C)(C)[NH2+]CCNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000569690561 362410252 /nfs/dbraw/zinc/41/02/52/362410252.db2.gz GMGUJJKSJUFYJP-STQMWFEESA-N 2 0 269.433 1.788 10 0 CDAERP C[NH+](C)CC[C@H](NC(=O)[C@H]1CCC[C@H]([NH3+])C1)C(C)(C)C ZINC000262672925 344697397 /nfs/dbraw/zinc/69/73/97/344697397.db2.gz PIUSIGFQDVDGOA-IHRRRGAJSA-N 2 0 283.460 1.987 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000052521765 345275574 /nfs/dbraw/zinc/27/55/74/345275574.db2.gz IBASGEXLCMVEPE-CYBMUJFWSA-N 2 0 280.416 1.007 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000623903304 345729716 /nfs/dbraw/zinc/72/97/16/345729716.db2.gz BSSOTGYPVLFVQW-ZNMIVQPWSA-N 2 0 272.433 1.890 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC000608648357 345805792 /nfs/dbraw/zinc/80/57/92/345805792.db2.gz SFIZABUOYBXOCO-GJZGRUSLSA-N 2 0 296.459 1.454 10 0 CDAERP CC(C)C(=O)NCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623338831 346067431 /nfs/dbraw/zinc/06/74/31/346067431.db2.gz XEKUOPQLMQIHBE-GFCCVEGCSA-N 2 0 255.406 1.221 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CCCN2CCCC2=O)CC1(C)C ZINC000623341385 346069935 /nfs/dbraw/zinc/06/99/35/346069935.db2.gz ZYVFVQFPNJXBGG-CYBMUJFWSA-N 2 0 267.417 1.461 10 0 CDAERP C[NH+](C)CCN1CCC([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623354456 346081867 /nfs/dbraw/zinc/08/18/67/346081867.db2.gz VRXMIRJINFWGQF-MRXNPFEDSA-N 3 0 296.503 1.475 10 0 CDAERP C[C@@H](Cn1ccnc1)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623356514 346084108 /nfs/dbraw/zinc/08/41/08/346084108.db2.gz VABDFNNTSHFKDY-QWHCGFSZSA-N 2 0 250.390 1.734 10 0 CDAERP CCC[N@H+](CCCC[C@](C)(O)C[NH3+])CCN(C)C ZINC000085303654 179011335 /nfs/dbraw/zinc/01/13/35/179011335.db2.gz PXDJMQWTBDOCPB-AWEZNQCLSA-N 2 0 259.438 1.140 10 0 CDAERP C[C@H](C[C@](C)(O)C[NH3+])[N@H+](C)CCc1ccccn1 ZINC000085304012 179011459 /nfs/dbraw/zinc/01/14/59/179011459.db2.gz UVTSQADDQAYYTF-OCCSQVGLSA-N 2 0 251.374 1.044 10 0 CDAERP [NH3+][C@H]1CCCC[C@@H]1C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000085368466 179037940 /nfs/dbraw/zinc/03/79/40/179037940.db2.gz FOLALOZMNSJPQC-RDBSUJKOSA-N 2 0 265.401 1.201 10 0 CDAERP [NH3+][C@H]1CCC[C@H]1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000085370744 179040777 /nfs/dbraw/zinc/04/07/77/179040777.db2.gz RERWKASLZLNFIA-HZSPNIEDSA-N 2 0 291.395 1.660 10 0 CDAERP CCC(CC)[C@H](CNC(=O)[C@@H]1CCCC[C@@H]1[NH3+])[NH+](C)C ZINC000085371138 179041233 /nfs/dbraw/zinc/04/12/33/179041233.db2.gz UKBHPAFBRVSEFB-ILXRZTDVSA-N 2 0 283.460 1.987 10 0 CDAERP C[C@H]([NH2+]C[C@H]1CCCCN1CCO)[C@@H]1CCCOC1 ZINC000449396874 362691340 /nfs/dbraw/zinc/69/13/40/362691340.db2.gz MXSAYOJEJMDJPT-RRFJBIMHSA-N 2 0 270.417 1.238 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC000619898632 349952395 /nfs/dbraw/zinc/95/23/95/349952395.db2.gz SLBKRAYIKMLSDK-AWEZNQCLSA-N 2 0 290.411 1.508 10 0 CDAERP CC(C)Cc1nc2c(n1[C@@H]1CC[N@H+](C)C1)CC[NH2+]C2 ZINC000085573217 179098020 /nfs/dbraw/zinc/09/80/20/179098020.db2.gz PVXDXGJQJSXZGR-GFCCVEGCSA-N 2 0 262.401 1.604 10 0 CDAERP C[N@@H+]1CCCC[C@H]1Cn1c2c(nc1C1CC1)C[NH2+]CC2 ZINC000085572827 179098841 /nfs/dbraw/zinc/09/88/41/179098841.db2.gz ZJBRZVGMCFKECP-ZDUSSCGKSA-N 2 0 274.412 1.891 10 0 CDAERP CC[C@H](C)[C@H]1C[N@H+](CCn2ccnc2C)CCC[NH2+]1 ZINC000085609272 179101059 /nfs/dbraw/zinc/10/10/59/179101059.db2.gz AASMNVDVJZVYOR-DZGCQCFKSA-N 2 0 264.417 1.902 10 0 CDAERP C[NH+]1CCN(CCC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000085630444 179107885 /nfs/dbraw/zinc/10/78/85/179107885.db2.gz QZHFZOYOYDBHFO-ZNMIVQPWSA-N 2 0 281.444 1.027 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(C3CC3)C2)CC1(C)C ZINC000623439544 346758733 /nfs/dbraw/zinc/75/87/33/346758733.db2.gz NWTNCYGSPWADPX-NWDGAFQWSA-N 2 0 265.401 1.212 10 0 CDAERP CCC[NH2+][C@H](CCO)CN(CCC)CC[NH+](C)C ZINC000085922588 179201713 /nfs/dbraw/zinc/20/17/13/179201713.db2.gz VTXNRWMZCJNQJV-CQSZACIVSA-N 2 0 259.438 1.011 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612962703 347340771 /nfs/dbraw/zinc/34/07/71/347340771.db2.gz IYHKARIUTHOTJB-CHWSQXEVSA-N 2 0 282.432 1.158 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000417282986 482578164 /nfs/dbraw/zinc/57/81/64/482578164.db2.gz BWXYHTXMQTZSTA-WDEREUQCSA-N 2 0 292.374 1.013 10 0 CDAERP Cc1cnn(CCN2CCC[C@H]([NH2+]C(C)C)C2)c1 ZINC000224515260 347410721 /nfs/dbraw/zinc/41/07/21/347410721.db2.gz HWTALNLWYUDIJP-AWEZNQCLSA-N 2 0 250.390 1.654 10 0 CDAERP CC[C@@](C[NH3+])(C1CC1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000086120719 179234820 /nfs/dbraw/zinc/23/48/20/179234820.db2.gz KTLXCILGCCXOFH-HUUCEWRRSA-N 2 0 251.418 1.674 10 0 CDAERP C[C@]1(c2ccccc2)CN([C@@H]2C[NH+]3CCC2CC3)CC[NH2+]1 ZINC000086124844 179235611 /nfs/dbraw/zinc/23/56/11/179235611.db2.gz LFYUGBOSPFEYQX-QZTJIDSGSA-N 2 0 285.435 1.901 10 0 CDAERP C[NH+]1CCC(C[N@@H+]2CCN[C@](C)(C3CC3)C2)CC1 ZINC000086145649 179237325 /nfs/dbraw/zinc/23/73/25/179237325.db2.gz HZJJVMAHASPRRQ-HNNXBMFYSA-N 2 0 251.418 1.402 10 0 CDAERP C[C@H]1CN(C[C@@H]2CC[N@H+](C)C2)[C@H](c2ccccc2)C[NH2+]1 ZINC000086171846 179243374 /nfs/dbraw/zinc/24/33/74/179243374.db2.gz CXMIVYBHLUQNBJ-UXLLHSPISA-N 2 0 273.424 1.973 10 0 CDAERP CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086173829 179245087 /nfs/dbraw/zinc/24/50/87/179245087.db2.gz QAXYQKLBUMHCNA-FVQBIDKESA-N 2 0 265.445 1.932 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2(C)OCCCO2)[C@H]2CCC[C@H]21 ZINC000367614727 290215712 /nfs/dbraw/zinc/21/57/12/290215712.db2.gz IAKYPMYHLMFXDF-HZSPNIEDSA-N 2 0 268.401 1.602 10 0 CDAERP COC1([C@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)CCOCC1 ZINC000414192576 362928177 /nfs/dbraw/zinc/92/81/77/362928177.db2.gz SLLNLSRPJKFZJT-LSDHHAIUSA-N 2 0 284.444 1.892 10 0 CDAERP C[N@@H+]1CC[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)[C@@H]2CCC[C@H]21 ZINC000423358220 290223362 /nfs/dbraw/zinc/22/33/62/290223362.db2.gz BLBXHSBWHGNISQ-AIEDFZFUSA-N 2 0 251.418 1.719 10 0 CDAERP CC[N@H+](CC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)C1CC1 ZINC000620971417 350390121 /nfs/dbraw/zinc/39/01/21/350390121.db2.gz ILTXPULKROMVMO-HNNXBMFYSA-N 2 0 297.443 1.040 10 0 CDAERP C[C@H]1CC[N@H+](CCOC2CCOCC2)C[C@H]1C[NH3+] ZINC000629538715 362955205 /nfs/dbraw/zinc/95/52/05/362955205.db2.gz OYEKHIYTUCOBGT-QWHCGFSZSA-N 2 0 256.390 1.099 10 0 CDAERP CC[NH+]1CCN([C@H]2CC[N@H+](CCc3ccccn3)C2)CC1 ZINC000107368384 186171620 /nfs/dbraw/zinc/17/16/20/186171620.db2.gz XECFHZHTKFWQES-KRWDZBQOSA-N 2 0 288.439 1.336 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@@H]1CCc2c1cccc2F ZINC000629535282 362960701 /nfs/dbraw/zinc/96/07/01/362960701.db2.gz DFAAAETWYOPSGT-CQSZACIVSA-N 2 0 252.333 1.768 10 0 CDAERP C[C@@H]([NH2+]CCOCCC[NH3+])c1ccc(-n2cccn2)cc1 ZINC000629542470 362966586 /nfs/dbraw/zinc/96/65/86/362966586.db2.gz YRXMONKNBGLNGJ-CQSZACIVSA-N 2 0 288.395 1.888 10 0 CDAERP O=C(CC[C@@H]1CCC[NH2+]C1)N[C@H]1CC[NH2+]C12CCCC2 ZINC000621667682 350703458 /nfs/dbraw/zinc/70/34/58/350703458.db2.gz JKPNZXLQFWWNFR-KBPBESRZSA-N 2 0 279.428 1.557 10 0 CDAERP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2cncc(Cl)c2)C1 ZINC000621773717 350770098 /nfs/dbraw/zinc/77/00/98/350770098.db2.gz ADALFEXXJUEOEE-LBPRGKRZSA-N 2 0 296.802 1.022 10 0 CDAERP O=S1(=O)Cc2ccccc2[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C1 ZINC000621778777 350775260 /nfs/dbraw/zinc/77/52/60/350775260.db2.gz VACJZDIGVPOSFP-SWLSCSKDSA-N 2 0 294.420 1.245 10 0 CDAERP c1ncn2c1c(NCC[NH+]1CCC1)nc1ccccc12 ZINC000624057916 351398102 /nfs/dbraw/zinc/39/81/02/351398102.db2.gz BAWIYVPLQGJHHJ-UHFFFAOYSA-N 2 0 267.336 1.422 10 0 CDAERP CC(C)(C)[NH+]1CCC([NH2+][C@H]2C[C@H](C(N)=O)C2)CC1 ZINC000624130645 351432450 /nfs/dbraw/zinc/43/24/50/351432450.db2.gz VDOWYIICGLCYTG-UMSPYCQHSA-N 2 0 253.390 1.103 10 0 CDAERP C[N@H+](CCNC(=O)N[C@@H]1CCCC[NH2+]C1)C1CCCC1 ZINC000333587682 363046719 /nfs/dbraw/zinc/04/67/19/363046719.db2.gz OGPOSQYRKFDPEP-CYBMUJFWSA-N 2 0 282.432 1.302 10 0 CDAERP CC(C)N(C(=O)[C@H](C)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)C(C)C ZINC000629592878 363104510 /nfs/dbraw/zinc/10/45/10/363104510.db2.gz FXCXXECFEHIOOW-BHYGNILZSA-N 2 0 295.471 1.952 10 0 CDAERP O[C@@H](C[NH2+]CC[C@H]1CC=CCC1)C[NH+]1CCCC1 ZINC000629597538 363133501 /nfs/dbraw/zinc/13/35/01/363133501.db2.gz MFKSGGWLQYOPHF-GJZGRUSLSA-N 2 0 252.402 1.779 10 0 CDAERP [NH3+][C@@H]1CC[C@H]2CN(c3cc(N4CCCC4)ncn3)C[C@@H]12 ZINC000333924621 363225939 /nfs/dbraw/zinc/22/59/39/363225939.db2.gz TUZRVXVOKPTJMU-YNEHKIRRSA-N 2 0 273.384 1.250 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1ccc(NC(C)=O)cc1 ZINC000629652258 363250259 /nfs/dbraw/zinc/25/02/59/363250259.db2.gz FEGNASZCXZLVJB-UHFFFAOYSA-N 2 0 279.384 1.313 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1ccnc2ccccc12 ZINC000629653045 363252404 /nfs/dbraw/zinc/25/24/04/363252404.db2.gz LFMUDTSDAKVJSJ-UHFFFAOYSA-N 2 0 273.380 1.903 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1ccc2ncccc2c1 ZINC000629654008 363255138 /nfs/dbraw/zinc/25/51/38/363255138.db2.gz TYLJQFNJAYIYFM-UHFFFAOYSA-N 2 0 273.380 1.903 10 0 CDAERP [NH3+]CC1(O)CCN(c2nccc3ccccc32)CC1 ZINC000396967499 366133613 /nfs/dbraw/zinc/13/36/13/366133613.db2.gz CVQMRXLAIYBAFH-UHFFFAOYSA-N 2 0 257.337 1.525 10 0 CDAERP C[C@H](CCCO)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000453276751 363293954 /nfs/dbraw/zinc/29/39/54/363293954.db2.gz MZOILDROPKVLIF-TUVASFSCSA-N 2 0 254.418 1.857 10 0 CDAERP C[C@H]1C[C@@H](C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC[NH2+]1 ZINC000629669425 363308093 /nfs/dbraw/zinc/30/80/93/363308093.db2.gz XMKWFSHUIXJTKT-ZQDZILKHSA-N 3 0 251.418 1.306 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000569458032 358484579 /nfs/dbraw/zinc/48/45/79/358484579.db2.gz DRUBLRFEEQIUFR-ZQDZILKHSA-N 2 0 279.428 1.365 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC3(CCC[NH+]3C)CC2)CC[N@@H+]1C ZINC000336016304 291036752 /nfs/dbraw/zinc/03/67/52/291036752.db2.gz YUJKFLYDQRLLQS-GJZGRUSLSA-N 2 0 293.455 1.804 10 0 CDAERP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1cccc(-n2ccnn2)c1 ZINC000570199172 363423647 /nfs/dbraw/zinc/42/36/47/363423647.db2.gz OVANWLYAJFJKAR-DVOMOZLQSA-N 2 0 285.395 1.916 10 0 CDAERP COCC[C@H](C)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000088510194 538284021 /nfs/dbraw/zinc/28/40/21/538284021.db2.gz HTRHDBAHBBKLCL-JKSUJKDBSA-N 2 0 283.460 1.513 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCC(=O)NC(C)(C)C)[C@H]2CCC[C@@H]21 ZINC000353385080 283134570 /nfs/dbraw/zinc/13/45/70/283134570.db2.gz JNKWLTPCNVRUPU-RDBSUJKOSA-N 2 0 281.444 1.754 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)[C@@H]2CCC[C@H]21 ZINC000423253854 283135952 /nfs/dbraw/zinc/13/59/52/283135952.db2.gz WONRIVYZGQMASD-ZQDZILKHSA-N 3 0 251.418 1.448 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000417808629 283168078 /nfs/dbraw/zinc/16/80/78/283168078.db2.gz FXDWVKFZFHFNRY-INIZCTEOSA-N 2 0 296.459 1.503 10 0 CDAERP O=C(N1CC[C@@H]([NH+]2CCCC2)C1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634767323 358507371 /nfs/dbraw/zinc/50/73/71/358507371.db2.gz RPSOBEUGTHACTB-LZWOXQAQSA-N 2 0 277.412 1.073 10 0 CDAERP CO[C@H](C[N@H+](C)CC[C@H]1CCCC[NH+]1C)[C@@H]1CCOC1 ZINC000659960355 412641885 /nfs/dbraw/zinc/64/18/85/412641885.db2.gz IIMWLPDBWFQWMQ-BZUAXINKSA-N 2 0 284.444 1.844 10 0 CDAERP CC[NH+](CC)CCN(CC(C)C)C(=O)CC[C@H](C)[NH3+] ZINC000070316683 356883647 /nfs/dbraw/zinc/88/36/47/356883647.db2.gz FYNQXJQYZGWNHQ-AWEZNQCLSA-N 2 0 271.449 1.940 10 0 CDAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262660414 356967719 /nfs/dbraw/zinc/96/77/19/356967719.db2.gz NLZFVKZGOZCWLY-JONQDZQNSA-N 2 0 293.455 1.707 10 0 CDAERP C[C@@H](CC[N@H+](C)CC1(CO)CC1)[NH+](C)CC1(CO)CC1 ZINC000446072875 538799483 /nfs/dbraw/zinc/79/94/83/538799483.db2.gz RIGGJXSYRCTHLX-AWEZNQCLSA-N 2 0 284.444 1.174 10 0 CDAERP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@H](O)C[C@](C)(O)C2CC2)C1 ZINC000634716293 357423817 /nfs/dbraw/zinc/42/38/17/357423817.db2.gz RVEKBROMIGMTNA-BMFZPTHFSA-N 2 0 284.444 1.220 10 0 CDAERP CN(CC[NH+](C)C)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000080390153 358096308 /nfs/dbraw/zinc/09/63/08/358096308.db2.gz NOHIFUGVTOUKFV-UHFFFAOYSA-N 2 0 289.423 1.916 10 0 CDAERP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccnc(C[NH3+])c1 ZINC000130405138 358306744 /nfs/dbraw/zinc/30/67/44/358306744.db2.gz UPTDORCJQYJOBY-SWLSCSKDSA-N 2 0 288.395 1.239 10 0 CDAERP COc1cc(C)nc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000130938606 358319812 /nfs/dbraw/zinc/31/98/12/358319812.db2.gz LSAAIROLWYIYFT-MAZHCROVSA-N 2 0 275.396 1.958 10 0 CDAERP CN(C(=O)[C@H]1CCC[NH+]1C1CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000426307976 358355139 /nfs/dbraw/zinc/35/51/39/358355139.db2.gz UIWPRPNDICNPET-LSDHHAIUSA-N 2 0 277.412 1.308 10 0 CDAERP CC1=CC[NH+](CCNC(=O)NC[C@@H]2CCC[N@H+]2C)CC1 ZINC000358196101 358928795 /nfs/dbraw/zinc/92/87/95/358928795.db2.gz MXDQRRFVBXYHFX-AWEZNQCLSA-N 2 0 280.416 1.032 10 0 CDAERP CC1CCC([NH+]2CCN(Cc3noc(CN)n3)CC2)CC1 ZINC000261868341 359071243 /nfs/dbraw/zinc/07/12/43/359071243.db2.gz XCMHHUDZBYBGOP-UHFFFAOYSA-N 2 0 293.415 1.225 10 0 CDAERP CC(C)[C@@H](C)NC(=O)C1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261872731 359072911 /nfs/dbraw/zinc/07/29/11/359072911.db2.gz PHHSEKOCUIKCFK-PBHICJAKSA-N 2 0 295.471 1.859 10 0 CDAERP C1CC1N1CCC([NH2+][C@H]2CCC[C@H]2[C@@H]2COCCN2)CC1 ZINC000261889025 359078898 /nfs/dbraw/zinc/07/88/98/359078898.db2.gz GERJJEUTDYQGHM-IKGGRYGDSA-N 3 0 293.455 1.360 10 0 CDAERP CC[N@H+](C)Cc1cccc(CNC2=[NH+]CCCN2)c1 ZINC000261917393 359088333 /nfs/dbraw/zinc/08/83/33/359088333.db2.gz ZTUDBPGBVBCDRS-UHFFFAOYSA-N 2 0 260.385 1.577 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000261927991 359092146 /nfs/dbraw/zinc/09/21/46/359092146.db2.gz YNACWNXUGVSMMR-QLFBSQMISA-N 2 0 281.444 1.755 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000048505791 359208591 /nfs/dbraw/zinc/20/85/91/359208591.db2.gz PRCIWELJNCGEGQ-CQSZACIVSA-N 2 0 261.369 1.359 10 0 CDAERP Cn1cncc1C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000119903996 359422663 /nfs/dbraw/zinc/42/26/63/359422663.db2.gz GQDUIHQSRFUUAB-UHFFFAOYSA-N 2 0 250.390 1.630 10 0 CDAERP Cc1cnn(CC[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000335280518 359475870 /nfs/dbraw/zinc/47/58/70/359475870.db2.gz UMCUHYXCPJCEIV-CQSZACIVSA-N 2 0 262.401 1.656 10 0 CDAERP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1cn[nH]c1 ZINC000379588198 359620340 /nfs/dbraw/zinc/62/03/40/359620340.db2.gz OBSHRUOEMYZGEB-JSGCOSHPSA-N 2 0 250.390 1.853 10 0 CDAERP C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCC[N@H+](C)C1CCCCC1 ZINC000422709310 359650658 /nfs/dbraw/zinc/65/06/58/359650658.db2.gz YUKXVBWZQNMHEP-IMJJTQAJSA-N 2 0 283.460 1.593 10 0 CDAERP CC(C)[C@H](C(=O)NCc1ccc2c[nH+]cn2c1)[NH+](C)C ZINC000297192545 200109346 /nfs/dbraw/zinc/10/93/46/200109346.db2.gz KYXNTFVCEKJRND-CQSZACIVSA-N 2 0 274.368 1.537 10 0 CDAERP C[C@H](N[C@@H]1C[NH2+]CCC1(F)F)c1c[nH+]ccc1N ZINC000423486920 359816393 /nfs/dbraw/zinc/81/63/93/359816393.db2.gz SZEIIBUSNWGXMP-GZMMTYOYSA-N 2 0 256.300 1.142 10 0 CDAERP CC[NH+](CC)CC1CC[NH+]([C@H]2CCN(C3CC3)C2=O)CC1 ZINC000336842612 359909966 /nfs/dbraw/zinc/90/99/66/359909966.db2.gz SQUWKRODSAOXNE-INIZCTEOSA-N 2 0 293.455 1.804 10 0 CDAERP C[C@H](C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)CS(C)(=O)=O ZINC000424288112 359992568 /nfs/dbraw/zinc/99/25/68/359992568.db2.gz KGJSICGSEXOZSQ-CHWSQXEVSA-N 2 0 288.457 1.131 10 0 CDAERP CN1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1=O ZINC000424371546 360025212 /nfs/dbraw/zinc/02/52/12/360025212.db2.gz FYJQJFVCHMCJFG-YHUYYLMFSA-N 2 0 293.455 1.755 10 0 CDAERP CC[C@H]([NH2+]C[C@@H]1CCN(C)C(=O)C1)[C@H]1CCCC[NH2+]1 ZINC000424383017 360033104 /nfs/dbraw/zinc/03/31/04/360033104.db2.gz SSONVSWZTPLOET-HZSPNIEDSA-N 2 0 267.417 1.365 10 0 CDAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cn(C)nc2C)C1 ZINC000087408848 360140156 /nfs/dbraw/zinc/14/01/56/360140156.db2.gz MWVRMRSKKMGGFA-AAEUAGOBSA-N 2 0 250.390 1.721 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@]12C[NH+]=C(N)N2Cc1ccccc1 ZINC000169259906 360161623 /nfs/dbraw/zinc/16/16/23/360161623.db2.gz TXUHXKLIEPBWOI-IUODEOHRSA-N 2 0 258.369 1.185 10 0 CDAERP CCNC(=O)N1CC[C@@H]([NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)C1 ZINC000090410057 360212963 /nfs/dbraw/zinc/21/29/63/360212963.db2.gz LUVCIMRLAIPTTR-MJBXVCDLSA-N 2 0 282.432 1.110 10 0 CDAERP [NH3+][C@H](CCC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000514924712 360402534 /nfs/dbraw/zinc/40/25/34/360402534.db2.gz PHNUTZRPMIUUOK-HZPDHXFCSA-N 2 0 287.407 1.820 10 0 CDAERP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCCS(=O)(=O)CC2)CC1 ZINC000634974576 360586740 /nfs/dbraw/zinc/58/67/40/360586740.db2.gz FRBREDLAIMBSGL-CYBMUJFWSA-N 2 0 288.457 1.275 10 0 CDAERP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000335608797 360587051 /nfs/dbraw/zinc/58/70/51/360587051.db2.gz JNGRMRJABRMEMJ-JSGCOSHPSA-N 2 0 276.428 1.777 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000626917758 360629998 /nfs/dbraw/zinc/62/99/98/360629998.db2.gz NDCVIWYQVOGSMO-QWHCGFSZSA-N 2 0 296.459 1.735 10 0 CDAERP CC[C@@H]1C[N@H+](CC)CCN1C(=O)NCCc1cn(C)cn1 ZINC000582167047 360877151 /nfs/dbraw/zinc/87/71/51/360877151.db2.gz LSKOBTYLDWBJSX-CQSZACIVSA-N 2 0 293.415 1.088 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC[C@H](CO)C1 ZINC000366193695 361122955 /nfs/dbraw/zinc/12/29/55/361122955.db2.gz VGHTUEYJTARFDK-GJZGRUSLSA-N 2 0 254.418 1.955 10 0 CDAERP CN(C(=O)CC[C@H]1CCC[NH2+]C1)[C@H]1C[NH+]2CCC1CC2 ZINC000312476362 361499652 /nfs/dbraw/zinc/49/96/52/361499652.db2.gz XZGKBMQAXRWXBQ-HIFRSBDPSA-N 2 0 279.428 1.319 10 0 CDAERP CC(C)[C@@H]([NH3+])CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000417945935 361505534 /nfs/dbraw/zinc/50/55/34/361505534.db2.gz YGXXTZJFHOCPRH-RUXDESIVSA-N 2 0 284.448 1.389 10 0 CDAERP C[C@@]1(C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)CCCS1 ZINC000311238516 361719143 /nfs/dbraw/zinc/71/91/43/361719143.db2.gz VFVORWIRCFUMFF-KGLIPLIRSA-N 2 0 272.458 1.709 10 0 CDAERP CC1(C)C[NH2+][C@@H]1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000644129976 363964830 /nfs/dbraw/zinc/96/48/30/363964830.db2.gz ZXOGIFOGMDMHBY-CYBMUJFWSA-N 2 0 277.343 1.408 10 0 CDAERP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)CC[C@@H]3CCCC[N@@H+]3C)C[C@H]21 ZINC000630006390 364412686 /nfs/dbraw/zinc/41/26/86/364412686.db2.gz RUQPFNBUWFTMDQ-TTZDDIAXSA-N 2 0 279.428 1.269 10 0 CDAERP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000373041242 364565030 /nfs/dbraw/zinc/56/50/30/364565030.db2.gz YVHPUZDAZYVSBX-ZNMIVQPWSA-N 2 0 281.444 1.837 10 0 CDAERP [NH3+][C@H](C(=O)N1CCC2(CC[NH2+]2)CC1)c1cccc(Cl)c1 ZINC000643426020 364731891 /nfs/dbraw/zinc/73/18/91/364731891.db2.gz JGRYEDWQMAGELE-ZDUSSCGKSA-N 2 0 293.798 1.694 10 0 CDAERP Cc1nccn1CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000353501327 365260660 /nfs/dbraw/zinc/26/06/60/365260660.db2.gz ZCPAXARNHAWRPN-RRFJBIMHSA-N 2 0 262.401 1.654 10 0 CDAERP C[C@H](CN[C@@H](C)[C@H]1CC[NH2+]C1)C[NH+]1CCCCC1 ZINC000400422969 366954517 /nfs/dbraw/zinc/95/45/17/366954517.db2.gz XQLHWTDVXFOONU-ILXRZTDVSA-N 2 0 253.434 1.696 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000174832445 367080389 /nfs/dbraw/zinc/08/03/89/367080389.db2.gz YEGXJVFCMKEHKK-AWEZNQCLSA-N 2 0 267.417 1.317 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN[C@H](C)[C@H](C)[NH3+] ZINC000415022737 241520982 /nfs/dbraw/zinc/52/09/82/241520982.db2.gz WAFGTNURTPBISI-WDEREUQCSA-N 2 0 259.357 1.401 10 0 CDAERP C[C@H]1CC[C@@H](NC(=O)NCCCCC[NH+]2CCCC2)C[NH2+]1 ZINC000627045548 367295570 /nfs/dbraw/zinc/29/55/70/367295570.db2.gz FJRBTMJQMXCKCG-LSDHHAIUSA-N 2 0 296.459 1.692 10 0 CDAERP CC1=CC[N@H+](CCNC(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC000358184127 367497703 /nfs/dbraw/zinc/49/77/03/367497703.db2.gz GHRORHPLFVOWPM-CQSZACIVSA-N 2 0 282.432 1.278 10 0 CDAERP C[C@@H](NC(=O)NC[C@H](c1cccs1)[NH+](C)C)[C@H](C)[NH3+] ZINC000416439467 242007070 /nfs/dbraw/zinc/00/70/70/242007070.db2.gz QFGLBWORCHMMLZ-HBNTYKKESA-N 2 0 284.429 1.386 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]CC2(CCO)CCC2)[C@@H](C)C1 ZINC000358290917 367577344 /nfs/dbraw/zinc/57/73/44/367577344.db2.gz FCOGXSJOFMEQJK-KBPBESRZSA-N 2 0 254.418 1.859 10 0 CDAERP C[C@@H]([NH2+]Cc1ccc(-n2cncn2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000414849657 367584833 /nfs/dbraw/zinc/58/48/33/367584833.db2.gz HMRUNCXWSVYKAO-UKRRQHHQSA-N 2 0 285.395 1.745 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000417003918 242261965 /nfs/dbraw/zinc/26/19/65/242261965.db2.gz HLZJHKCKKAOJHJ-OLZOCXBDSA-N 2 0 290.411 1.080 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000417008284 242264631 /nfs/dbraw/zinc/26/46/31/242264631.db2.gz MBHBQZUXCLULNC-RBSFLKMASA-N 2 0 298.475 1.781 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@H]1C[NH2+]C ZINC000417012219 242267628 /nfs/dbraw/zinc/26/76/28/242267628.db2.gz WJYORXBHTNKLMH-OLZOCXBDSA-N 2 0 270.421 1.110 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000417012876 242268964 /nfs/dbraw/zinc/26/89/64/242268964.db2.gz XVFYLIUNZZUNCK-XQQFMLRXSA-N 2 0 270.421 1.014 10 0 CDAERP C[C@H]1CC[C@H](NC(=O)NC(C)(C)C[NH+]2CCCC2)C[NH2+]1 ZINC000627206850 367704073 /nfs/dbraw/zinc/70/40/73/367704073.db2.gz MRIDMNZNAUBHLS-STQMWFEESA-N 2 0 282.432 1.301 10 0 CDAERP CCCN(CC[NH+]1CCCC1)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627208264 367705755 /nfs/dbraw/zinc/70/57/55/367705755.db2.gz UKDHDCHNIVHLFH-GJZGRUSLSA-N 2 0 296.459 1.644 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N(CCC[NH3+])CC2CCCC2)C[NH2+]1 ZINC000627208661 367706499 /nfs/dbraw/zinc/70/64/99/367706499.db2.gz BJMSZSIQRRFUQL-HIFRSBDPSA-N 2 0 296.459 1.678 10 0 CDAERP C[C@@H](CN1CCC[C@@H](C)C1)[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000360328922 368234691 /nfs/dbraw/zinc/23/46/91/368234691.db2.gz IENPJRYMVRIAJA-CBBWQLFWSA-N 2 0 253.434 1.647 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000418579179 243233149 /nfs/dbraw/zinc/23/31/49/243233149.db2.gz JRNXFGBRRWQJGI-ZOBORPQBSA-N 2 0 282.432 1.380 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)[C@H](C)C1 ZINC000418628463 243295073 /nfs/dbraw/zinc/29/50/73/243295073.db2.gz VLMXFXBUUHLWQB-TUVASFSCSA-N 2 0 296.459 1.499 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000414880962 368676895 /nfs/dbraw/zinc/67/68/95/368676895.db2.gz KMWDTZXOOUBRJS-RYUDHWBXSA-N 2 0 294.399 1.484 10 0 CDAERP COc1c[nH+]ccc1N1CC[NH+](CCCCCO)CC1 ZINC000361530887 368878197 /nfs/dbraw/zinc/87/81/97/368878197.db2.gz MNZPJQOELTYQPX-UHFFFAOYSA-N 2 0 279.384 1.375 10 0 CDAERP CC[NH2+][C@H](C)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638272577 369041413 /nfs/dbraw/zinc/04/14/13/369041413.db2.gz SJFAYWXKLMXVPS-ZBFHGGJFSA-N 2 0 289.423 1.717 10 0 CDAERP C[NH2+]CCOCCNc1cc(C)[nH+]c2ccccc12 ZINC000630529792 369147598 /nfs/dbraw/zinc/14/75/98/369147598.db2.gz DGHYAFQZXJMVLI-UHFFFAOYSA-N 2 0 259.353 1.613 10 0 CDAERP Cc1cnn(CC[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420378647 244174164 /nfs/dbraw/zinc/17/41/64/244174164.db2.gz BGXUCMKPKXRUFE-LSDHHAIUSA-N 2 0 262.401 1.656 10 0 CDAERP Cc1noc(CCC[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)n1 ZINC000420394448 244196482 /nfs/dbraw/zinc/19/64/82/244196482.db2.gz KPFORTHXWPXKSB-ZIAGYGMSSA-N 2 0 278.400 1.775 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+]2CCCC2)CC[N@@H+]1C ZINC000630556599 369241578 /nfs/dbraw/zinc/24/15/78/369241578.db2.gz AJACDGNNCYGCSM-UONOGXRCSA-N 2 0 267.417 1.319 10 0 CDAERP CC[NH+]1CCC(CNC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000567336360 370955718 /nfs/dbraw/zinc/95/57/18/370955718.db2.gz XKGRZXDYKMRWIP-JSGCOSHPSA-N 2 0 282.432 1.016 10 0 CDAERP O=C(CC[C@H]1CC[NH2+]C1)N1CCC([NH+]2CCCC2)CC1 ZINC000134530001 369566865 /nfs/dbraw/zinc/56/68/65/369566865.db2.gz LPISNCLVMOPQNJ-AWEZNQCLSA-N 2 0 279.428 1.463 10 0 CDAERP CCO[C@@H]1C[C@@H]([NH2+]CC2([NH3+])CCOCC2)C1(C)C ZINC000233783021 482970643 /nfs/dbraw/zinc/97/06/43/482970643.db2.gz MRGIOHJMTWATOJ-VXGBXAGGSA-N 2 0 256.390 1.288 10 0 CDAERP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cncnc3)C2)CC1 ZINC000290620432 369980165 /nfs/dbraw/zinc/98/01/65/369980165.db2.gz XDWSYLCJLKSVPZ-OAHLLOKOSA-N 2 0 260.385 1.640 10 0 CDAERP C[C@H](NC(=O)NCC1([NH3+])CCCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000418281710 370433599 /nfs/dbraw/zinc/43/35/99/370433599.db2.gz FEXRJWBNUUCCOR-UONOGXRCSA-N 2 0 296.459 1.725 10 0 CDAERP C[C@@H](N[C@@H](Cc1ccccc1)C[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000422720842 245178056 /nfs/dbraw/zinc/17/80/56/245178056.db2.gz TZYHHWSMWATITF-PVAVHDDUSA-N 2 0 275.440 1.889 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000422744483 245205560 /nfs/dbraw/zinc/20/55/60/245205560.db2.gz SZSYJJALABIONI-CABCVRRESA-N 3 0 253.434 1.825 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCN1CCCC[C@H]1C(=[NH2+])NO ZINC000376078235 371096187 /nfs/dbraw/zinc/09/61/87/371096187.db2.gz DDGVIKCFUZVBIC-NEPJUHHUSA-N 2 0 254.378 1.281 10 0 CDAERP C[C@H]([NH2+]CCc1ccc2ccccc2n1)C1C[NH2+]C1 ZINC000422785445 245254328 /nfs/dbraw/zinc/25/43/28/245254328.db2.gz REXDCQHPPPTMOI-LBPRGKRZSA-N 2 0 255.365 1.975 10 0 CDAERP CC[NH+]1CCC(CC[NH2+]Cc2ccnc(OC)n2)CC1 ZINC000295838354 371480411 /nfs/dbraw/zinc/48/04/11/371480411.db2.gz VTKMFYFWFBSNMH-UHFFFAOYSA-N 2 0 278.400 1.697 10 0 CDAERP CCC[N@@H+]1CC[C@@H](NC(=O)N(CC)[C@H]2CC[NH+](C)C2)C1 ZINC000666920130 482987849 /nfs/dbraw/zinc/98/78/49/482987849.db2.gz NWHZEAVDFUACHQ-KGLIPLIRSA-N 2 0 282.432 1.206 10 0 CDAERP O=C(NCCC[NH+]1CCCCCC1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653105725 541856162 /nfs/dbraw/zinc/85/61/62/541856162.db2.gz HNCSQRFSCRQWPL-HOTGVXAUSA-N 2 0 293.455 1.899 10 0 CDAERP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)CC[C@H]1CC[NH2+]C1 ZINC000575060969 371721801 /nfs/dbraw/zinc/72/18/01/371721801.db2.gz SWHCLAOVQVEMCZ-BBRMVZONSA-N 2 0 287.407 1.461 10 0 CDAERP CN(CCC[N@H+](C)CCc1ccccn1)CC[NH+](C)C ZINC000298554752 372177644 /nfs/dbraw/zinc/17/76/44/372177644.db2.gz OPYFGLVPGMOJAT-UHFFFAOYSA-N 2 0 278.444 1.439 10 0 CDAERP CC[NH+](CC)[C@@H](C)CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171900862 372226013 /nfs/dbraw/zinc/22/60/13/372226013.db2.gz OIDNCGGWYRHLTC-UONOGXRCSA-N 2 0 282.432 1.206 10 0 CDAERP CC[NH2+]CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000418334173 372508397 /nfs/dbraw/zinc/50/83/97/372508397.db2.gz WNWHNPVEHCRVTI-KGLIPLIRSA-N 2 0 282.432 1.253 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000333303335 205202459 /nfs/dbraw/zinc/20/24/59/205202459.db2.gz JEMVQBOMNKWZJQ-RBSFLKMASA-N 2 0 296.459 1.404 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)CCn1ccnc1 ZINC000341045928 373242586 /nfs/dbraw/zinc/24/25/86/373242586.db2.gz ABJMAVRMPXLYDH-ZIAGYGMSSA-N 2 0 278.400 1.652 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)C1 ZINC000581835417 373259815 /nfs/dbraw/zinc/25/98/15/373259815.db2.gz ZEOLOIKHKVROOV-UPJWGTAASA-N 2 0 294.420 1.417 10 0 CDAERP CC(C)CO[C@H](C)c1noc(CN2C[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000631839678 373782827 /nfs/dbraw/zinc/78/28/27/373782827.db2.gz JKQVTJQTLPOERZ-JHJVBQTASA-N 2 0 296.415 1.830 10 0 CDAERP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCCC1(C[NH3+])CC1 ZINC000652232299 541924521 /nfs/dbraw/zinc/92/45/21/541924521.db2.gz WJOSTQVFFFAFCC-NEPJUHHUSA-N 2 0 268.405 1.027 10 0 CDAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000418584307 374415613 /nfs/dbraw/zinc/41/56/13/374415613.db2.gz XGUNKPIBRYJWPG-UONOGXRCSA-N 2 0 296.459 1.406 10 0 CDAERP C[C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C[NH3+] ZINC000424000780 246281725 /nfs/dbraw/zinc/28/17/25/246281725.db2.gz OPRSELWAMGEEDV-NEPJUHHUSA-N 2 0 276.384 1.205 10 0 CDAERP CC(C)[C@H](C(=O)NCC[N@H+](C)C1CCCCC1)[NH+](C)C ZINC000133410184 375563468 /nfs/dbraw/zinc/56/34/68/375563468.db2.gz MNPULKBOWDNGHP-OAHLLOKOSA-N 2 0 283.460 1.953 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000417288026 375746213 /nfs/dbraw/zinc/74/62/13/375746213.db2.gz QKFAYXRTPJVDAR-IHRRRGAJSA-N 2 0 282.432 1.145 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000417323691 375780412 /nfs/dbraw/zinc/78/04/12/375780412.db2.gz YOSJEYOFMANYNL-UKRRQHHQSA-N 2 0 282.432 1.112 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000417325997 375781389 /nfs/dbraw/zinc/78/13/89/375781389.db2.gz JZJWQDKROBAIAT-QPSCCSFWSA-N 2 0 296.459 1.404 10 0 CDAERP C[C@@H]1C[C@@H](N2C[C@H]3C[NH2+]C[C@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000306668705 375782552 /nfs/dbraw/zinc/78/25/52/375782552.db2.gz GAHXJZWXWRTPAA-NRSFXHEJSA-N 2 0 285.435 1.801 10 0 CDAERP CCCCN(CCCC)C(=O)CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193656208 375888080 /nfs/dbraw/zinc/88/80/80/375888080.db2.gz HRJQRUNAFBYNKG-IYBDPMFKSA-N 2 0 295.471 1.909 10 0 CDAERP CC[C@@H]1CN(CC[C@H]2CCC[N@@H+]2C)CC[NH+]1C[C@@H](C)O ZINC000245698764 376138831 /nfs/dbraw/zinc/13/88/31/376138831.db2.gz XFZQOBYGXFDBGD-BZUAXINKSA-N 2 0 283.460 1.248 10 0 CDAERP CC[NH+]1CCC(CC[NH2+]Cc2cnc(C)nc2)CC1 ZINC000344596079 376636370 /nfs/dbraw/zinc/63/63/70/376636370.db2.gz VVYRSSHHXOEBCU-UHFFFAOYSA-N 2 0 262.401 1.997 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)NCC[NH2+]CC)CC1 ZINC000417395551 376666549 /nfs/dbraw/zinc/66/65/49/376666549.db2.gz USPNKWGAIDVYAJ-UHFFFAOYSA-N 2 0 270.421 1.017 10 0 CDAERP C[C@@H]1C[N@H+](CCc2nc3ccccc3c(=O)[nH]2)C[C@H]1C[NH3+] ZINC000631842208 376697798 /nfs/dbraw/zinc/69/77/98/376697798.db2.gz WZBYFXKYWDQLOE-VXGBXAGGSA-N 2 0 286.379 1.405 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC2CCC(C[NH+](C)C)CC2)CC[N@@H+]1C ZINC000632046127 376948147 /nfs/dbraw/zinc/94/81/47/376948147.db2.gz ANXLOGUAZHLYPX-SSHXOBKSSA-N 2 0 295.471 1.953 10 0 CDAERP CCC(C)(C)NC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070074133 377002952 /nfs/dbraw/zinc/00/29/52/377002952.db2.gz XQJMGUJLCFEIRA-GFCCVEGCSA-N 2 0 255.406 1.352 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001662220316 1172511046 /nfs/dbraw/zinc/51/10/46/1172511046.db2.gz WMPVZYOJMXXTLV-CABCVRRESA-N 2 0 281.444 1.920 10 0 CDAERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2C[C@H]2C2CCCCC2)CC1 ZINC000571874605 377560086 /nfs/dbraw/zinc/56/00/86/377560086.db2.gz AJIYWXORUJEJSU-IKGGRYGDSA-N 2 0 295.471 1.153 10 0 CDAERP C[C@@H]1CC[NH2+]CC[C@H]1NC1CC([NH+]2CCCCC2)C1 ZINC000335020909 377807498 /nfs/dbraw/zinc/80/74/98/377807498.db2.gz CUEUXGSBNPKKLW-PRLABOORSA-N 2 0 265.445 1.981 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000193305761 378289490 /nfs/dbraw/zinc/28/94/90/378289490.db2.gz SSKCBQOIAFGGCQ-OLZOCXBDSA-N 2 0 255.406 1.350 10 0 CDAERP C[C@@H](O)C[NH+]1CCC(C[NH2+]CCc2cccs2)CC1 ZINC000069565073 378309203 /nfs/dbraw/zinc/30/92/03/378309203.db2.gz OUVHJZUCKMCCHY-CYBMUJFWSA-N 2 0 282.453 1.973 10 0 CDAERP CCn1cncc1C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000657573186 412903562 /nfs/dbraw/zinc/90/35/62/412903562.db2.gz LXNDMKULTFLQKY-AWEZNQCLSA-N 2 0 281.448 1.265 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CCO[C@@H]1C ZINC000657573612 412907799 /nfs/dbraw/zinc/90/77/99/412907799.db2.gz RBZNXCQXWSXWDM-BFHYXJOUSA-N 2 0 257.422 1.025 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000655907242 412912791 /nfs/dbraw/zinc/91/27/91/412912791.db2.gz FKKOECOQXSPZBR-XBXGTLAGSA-N 2 0 276.384 1.607 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000417009196 284798118 /nfs/dbraw/zinc/79/81/18/284798118.db2.gz NEOJQGIJQOZICE-KGLIPLIRSA-N 2 0 284.448 1.487 10 0 CDAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cn[nH]c3)cc2)C1 ZINC000657593656 412919986 /nfs/dbraw/zinc/91/99/86/412919986.db2.gz BEQGQMZIYUURQQ-MRXNPFEDSA-N 2 0 286.379 1.266 10 0 CDAERP Cn1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000657594840 412922028 /nfs/dbraw/zinc/92/20/28/412922028.db2.gz DCMNIDLLPVCFHG-GOSISDBHSA-N 2 0 299.418 1.882 10 0 CDAERP COC(=O)C1(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)CC1 ZINC000450505547 251317901 /nfs/dbraw/zinc/31/79/01/251317901.db2.gz ZCFDXJRILXTUPQ-OLZOCXBDSA-N 2 0 266.385 1.356 10 0 CDAERP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC1CC1 ZINC001662919571 1172615107 /nfs/dbraw/zinc/61/51/07/1172615107.db2.gz XOFCMQWOCBWSMI-YRGRVCCFSA-N 2 0 267.417 1.221 10 0 CDAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000355410825 285020347 /nfs/dbraw/zinc/02/03/47/285020347.db2.gz LRKVPZKGSYONKF-RBSFLKMASA-N 2 0 297.443 1.086 10 0 CDAERP COCC[N@@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](C)[C@H]2CCC[C@H]21 ZINC000353504201 285029191 /nfs/dbraw/zinc/02/91/91/285029191.db2.gz QUHLUAILXFYQAW-TWMKSMIVSA-N 2 0 295.471 1.560 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000655970771 412983135 /nfs/dbraw/zinc/98/31/35/412983135.db2.gz LNJUSBKNGFYRHC-SBJFKYEJSA-N 2 0 294.443 1.095 10 0 CDAERP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)CC2([NH3+])CC2)cc1 ZINC000662413657 412984284 /nfs/dbraw/zinc/98/42/84/412984284.db2.gz PDWQRQMPLDUNPG-AWEZNQCLSA-N 2 0 275.396 1.807 10 0 CDAERP CC[NH+]1CCC(CC[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)CC1 ZINC000422792736 285185045 /nfs/dbraw/zinc/18/50/45/285185045.db2.gz WFMOMSMXHQTBAV-SJORKVTESA-N 2 0 295.471 1.465 10 0 CDAERP CCCC[C@H](C[NH3+])NC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662428966 413010590 /nfs/dbraw/zinc/01/05/90/413010590.db2.gz MCKRREXLNKYQGB-UKRRQHHQSA-N 2 0 275.396 1.855 10 0 CDAERP CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[NH+](CC)CC ZINC000654067061 413024438 /nfs/dbraw/zinc/02/44/38/413024438.db2.gz IUNKPCRBGKYRJS-MJBXVCDLSA-N 2 0 269.433 1.563 10 0 CDAERP CCC[NH+]1CCN(C[C@@H](C(N)=[NH2+])c2ccccc2)CC1 ZINC000080790834 177707532 /nfs/dbraw/zinc/70/75/32/177707532.db2.gz KBCIEBJBDNOMLA-OAHLLOKOSA-N 2 0 274.412 1.734 10 0 CDAERP CCc1nccn1[C@@H](C)CC(=O)N(C)C1(C[NH3+])CCC1 ZINC000648147436 390229144 /nfs/dbraw/zinc/22/91/44/390229144.db2.gz YNSILGIOHFOVRH-LBPRGKRZSA-N 2 0 278.400 1.736 10 0 CDAERP CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000341704363 285364977 /nfs/dbraw/zinc/36/49/77/285364977.db2.gz GRBCXXXYQBQFEF-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP CC1([NH3+])CCN(C(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000646991747 390344234 /nfs/dbraw/zinc/34/42/34/390344234.db2.gz MOUHNJFGJRFSNZ-STQMWFEESA-N 2 0 267.417 1.624 10 0 CDAERP O[C@@H](C[NH2+]CC1([C@H]2CCCCO2)CCC1)C[NH+]1CCCC1 ZINC000634727790 390618710 /nfs/dbraw/zinc/61/87/10/390618710.db2.gz FMVARURROUKUSA-JKSUJKDBSA-N 2 0 296.455 1.772 10 0 CDAERP Cc1c(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cnn1C ZINC000367537044 390859005 /nfs/dbraw/zinc/85/90/05/390859005.db2.gz BFORDQDTUKMEKP-KFWWJZLASA-N 2 0 262.401 1.691 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)CCC1CC[NH2+]CC1 ZINC000237677572 390867202 /nfs/dbraw/zinc/86/72/02/390867202.db2.gz NGATUVFKAUQTOL-CQSZACIVSA-N 2 0 281.444 1.757 10 0 CDAERP COc1ncncc1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000647216543 390880780 /nfs/dbraw/zinc/88/07/80/390880780.db2.gz QGJYHINLCMFJKS-UHFFFAOYSA-N 2 0 264.373 1.449 10 0 CDAERP CC(C)([NH3+])CC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000648198094 390949897 /nfs/dbraw/zinc/94/98/97/390949897.db2.gz BIPKCHIVMAHFBM-ZDUSSCGKSA-N 2 0 261.369 1.199 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000261630294 390920892 /nfs/dbraw/zinc/92/08/92/390920892.db2.gz BDSXCFMJUGXCIF-XQLPTFJDSA-N 2 0 281.444 1.754 10 0 CDAERP [NH3+]CC1CCC([NH2+]CCc2cn3ccccc3n2)CC1 ZINC000415113118 391026213 /nfs/dbraw/zinc/02/62/13/391026213.db2.gz SLJXMPXIELPESO-UHFFFAOYSA-N 2 0 272.396 1.984 10 0 CDAERP CCC[C@H]1CN(C[C@@H]([NH3+])CC(C)C)CC[N@@H+]1CCOC ZINC000414703336 391348068 /nfs/dbraw/zinc/34/80/68/391348068.db2.gz IUQSTFAHGSZBBE-HOTGVXAUSA-N 2 0 285.476 1.793 10 0 CDAERP C[NH2+][C@H]1CCCN(C(=O)NCC[N@H+]2CC=C(C)CC2)C1 ZINC000418037226 391355255 /nfs/dbraw/zinc/35/52/55/391355255.db2.gz ZPCXWVLJJBEWCH-AWEZNQCLSA-N 2 0 280.416 1.032 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N2C[C@H](C)[NH2+]C[C@H]2C)CC1 ZINC000417392466 391477495 /nfs/dbraw/zinc/47/74/95/391477495.db2.gz PCZVCGSMOKESJE-UONOGXRCSA-N 2 0 296.459 1.500 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000417816358 391484185 /nfs/dbraw/zinc/48/41/85/391484185.db2.gz PZKIMYQDODRLAG-OLZOCXBDSA-N 2 0 270.421 1.016 10 0 CDAERP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000348154648 391416873 /nfs/dbraw/zinc/41/68/73/391416873.db2.gz AUCHOPZSWFSFFH-HOTGVXAUSA-N 2 0 293.455 1.805 10 0 CDAERP COCCN1CC[C@@H]([NH2+]CC[C@H]2CCCOC2)C1 ZINC000527740525 391510039 /nfs/dbraw/zinc/51/00/39/391510039.db2.gz VBOKJDKIISYHQS-ZIAGYGMSSA-N 2 0 256.390 1.113 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N(C)C1CC[NH2+]CC1 ZINC000417526292 391638871 /nfs/dbraw/zinc/63/88/71/391638871.db2.gz BUJPCZGVBWPMHG-KBPBESRZSA-N 2 0 296.459 1.643 10 0 CDAERP C1C([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1[NH+]1CCCCC1 ZINC000647796818 391648522 /nfs/dbraw/zinc/64/85/22/391648522.db2.gz OGUNJNPUUFEZIW-HQOAGVKLSA-N 3 0 277.456 1.981 10 0 CDAERP CCCC[C@@H](COC)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415056693 391738047 /nfs/dbraw/zinc/73/80/47/391738047.db2.gz QIDGBVWXZWDROO-CGZBRXJRSA-N 2 0 297.487 1.998 10 0 CDAERP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000417706895 391767167 /nfs/dbraw/zinc/76/71/67/391767167.db2.gz UOANGTJWDVURGA-IHRRRGAJSA-N 2 0 282.432 1.382 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000418196431 391804386 /nfs/dbraw/zinc/80/43/86/391804386.db2.gz HIZHCPSRLMHDAI-AVGNSLFASA-N 2 0 270.421 1.238 10 0 CDAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000649303104 391951092 /nfs/dbraw/zinc/95/10/92/391951092.db2.gz WQRHMORQHYXUAQ-ZNMIVQPWSA-N 2 0 275.396 1.013 10 0 CDAERP C[C@H]1C[NH2+]CCN1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000334887454 391973337 /nfs/dbraw/zinc/97/33/37/391973337.db2.gz GOLSAUZCAMJUNB-LBPRGKRZSA-N 2 0 282.432 1.253 10 0 CDAERP Cc1cnn(CC[N@H+](C)CCCn2ccnc2C)c1 ZINC000336807523 392093803 /nfs/dbraw/zinc/09/38/03/392093803.db2.gz KTZAHLUJWZKUNY-UHFFFAOYSA-N 2 0 261.373 1.719 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2ccnn2C)[C@@H](C)C1 ZINC000336805902 392087399 /nfs/dbraw/zinc/08/73/99/392087399.db2.gz VQSVKXZLJGADBM-DZGCQCFKSA-N 2 0 264.417 1.625 10 0 CDAERP C[C@]1(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)CC[NH2+]C1 ZINC000262026926 392031192 /nfs/dbraw/zinc/03/11/92/392031192.db2.gz NQNVLMSSISKBNI-CJNGLKHVSA-N 2 0 289.427 1.403 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000649328415 392037956 /nfs/dbraw/zinc/03/79/56/392037956.db2.gz YGOKWRRTOXWNCO-RYUDHWBXSA-N 2 0 289.370 1.174 10 0 CDAERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](Cn2cccn2)C(C)C)C1 ZINC000336809754 392151657 /nfs/dbraw/zinc/15/16/57/392151657.db2.gz WQRVUDSXLSUBJE-CABCVRRESA-N 2 0 264.417 1.839 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]CCCN2CCCC2=O)c2ccccc21 ZINC000422758025 392257135 /nfs/dbraw/zinc/25/71/35/392257135.db2.gz DOTPYTBMUOGPAZ-HUUCEWRRSA-N 2 0 273.380 1.733 10 0 CDAERP CC1(C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)CCC1 ZINC000432812520 392271654 /nfs/dbraw/zinc/27/16/54/392271654.db2.gz QNCGGSJEWKLPGV-UHFFFAOYSA-N 2 0 279.428 1.417 10 0 CDAERP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCCNc1ccccc1F ZINC000423029898 392285029 /nfs/dbraw/zinc/28/50/29/392285029.db2.gz IXWXNEQJVMJNDZ-GUTXKFCHSA-N 2 0 295.402 1.970 10 0 CDAERP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cnccc1N ZINC000423044189 392297831 /nfs/dbraw/zinc/29/78/31/392297831.db2.gz QPQBTDXBLQKVLL-GFCCVEGCSA-N 2 0 262.401 1.877 10 0 CDAERP CC[NH+](CC)[C@H](C)CN[C@H](C)c1c[nH+]ccc1N ZINC000423085457 392331374 /nfs/dbraw/zinc/33/13/74/392331374.db2.gz KQHVVZQAXMMAOF-VXGBXAGGSA-N 2 0 250.390 1.875 10 0 CDAERP C[C@@H]1COCC[C@H]1[NH2+]C/C=C\C[NH2+][C@H]1CCOC[C@H]1C ZINC000433148190 392358245 /nfs/dbraw/zinc/35/82/45/392358245.db2.gz QIGZRZWGAUOZEF-KATZGCASSA-N 2 0 282.428 1.572 10 0 CDAERP C[C@@H]([NH2+]CCC[NH3+])c1cccc(N2CCCS2(=O)=O)c1 ZINC000423197263 392435035 /nfs/dbraw/zinc/43/50/35/392435035.db2.gz YQROVJXYQXMJPA-GFCCVEGCSA-N 2 0 297.424 1.226 10 0 CDAERP CC[C@H](Cn1cncn1)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423338879 392525717 /nfs/dbraw/zinc/52/57/17/392525717.db2.gz KZNSIDHPXMZINX-OLZOCXBDSA-N 2 0 251.378 1.036 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000438098502 392527236 /nfs/dbraw/zinc/52/72/36/392527236.db2.gz OYHTZCCLWYYYCM-IAGOWNOFSA-N 2 0 295.471 1.515 10 0 CDAERP CC1CC[NH+](CCN(C)[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000493673747 392703729 /nfs/dbraw/zinc/70/37/29/392703729.db2.gz BKVIPNZBOLZMBX-INIZCTEOSA-N 2 0 265.445 1.887 10 0 CDAERP C[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1CCC[NH2+]C1 ZINC000516759641 392777317 /nfs/dbraw/zinc/77/73/17/392777317.db2.gz SLAMHUADGVPYTL-XQLPTFJDSA-N 2 0 251.418 1.591 10 0 CDAERP CC(=O)[C@](C)(O)CN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000450324315 392927333 /nfs/dbraw/zinc/92/73/33/392927333.db2.gz OANITHSWGYSAFJ-DLBZAZTESA-N 2 0 296.455 1.770 10 0 CDAERP Cn1cncc1CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000459334347 393093785 /nfs/dbraw/zinc/09/37/85/393093785.db2.gz DQJWATSPHGDLTR-HNNXBMFYSA-N 2 0 276.428 1.770 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)[C@H]1C ZINC000495089328 393175343 /nfs/dbraw/zinc/17/53/43/393175343.db2.gz XXORTUPDZXCRPR-BARDWOONSA-N 2 0 254.418 1.857 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN[C@H](C[NH3+])C1CC1 ZINC000521983268 393139362 /nfs/dbraw/zinc/13/93/62/393139362.db2.gz MGTFSANNWARRAM-OAHLLOKOSA-N 2 0 271.368 1.403 10 0 CDAERP c1c(C[NH2+]CC2CC[NH+](C3CC3)CC2)nc2ncccn12 ZINC000459503235 393199657 /nfs/dbraw/zinc/19/96/57/393199657.db2.gz DYHQFQPGIAAJEC-UHFFFAOYSA-N 2 0 285.395 1.693 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@H](O)Cc2ccc(F)cc2)C1 ZINC000656152979 413059921 /nfs/dbraw/zinc/05/99/21/413059921.db2.gz DYOWLOBRETWKPS-VNQPRFMTSA-N 2 0 280.387 1.659 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@H](O)CCc2ccccc2)C1 ZINC000656154527 413062498 /nfs/dbraw/zinc/06/24/98/413062498.db2.gz XDYFYGRWJVKPMN-IXDOHACOSA-N 2 0 276.424 1.910 10 0 CDAERP Cc1ccc(OCC[NH+](C)C)c(N2CC[NH2+]CC2)c1 ZINC000043461441 134904201 /nfs/dbraw/zinc/90/42/01/134904201.db2.gz JZFZNYMTLXSYLI-UHFFFAOYSA-N 2 0 263.385 1.345 10 0 CDAERP CC(C)[C@@](C)(O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000187072453 140075295 /nfs/dbraw/zinc/07/52/95/140075295.db2.gz JEDLAYLOBBSKRA-CABCVRRESA-N 2 0 254.418 1.811 10 0 CDAERP [NH3+]CCCC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000189028308 140107186 /nfs/dbraw/zinc/10/71/86/140107186.db2.gz QWFCYNLBVSBTFT-SMDDNHRTSA-N 2 0 297.349 1.265 10 0 CDAERP O[C@]12CCCC[C@H]1C[N@H+](CCCn1ccnc1)CC2 ZINC000220382951 140167913 /nfs/dbraw/zinc/16/79/13/140167913.db2.gz KAMLGKDORSTBFR-GJZGRUSLSA-N 2 0 263.385 1.900 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000233015015 140226179 /nfs/dbraw/zinc/22/61/79/140226179.db2.gz YLSDCNXGPSKFQU-CQSZACIVSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250099279 140302342 /nfs/dbraw/zinc/30/23/42/140302342.db2.gz RCINGQNEIFEMSE-JWURUJNWSA-N 2 0 265.401 1.021 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000261651572 140369624 /nfs/dbraw/zinc/36/96/24/140369624.db2.gz DMJCBJNVYNLZQH-RRFJBIMHSA-N 2 0 281.444 1.598 10 0 CDAERP CN(C)c1noc([C@@H]2CCC[N@H+](CC3CC[NH2+]CC3)C2)n1 ZINC000261743798 140383335 /nfs/dbraw/zinc/38/33/35/140383335.db2.gz BQHBLCSQAZTZCG-CYBMUJFWSA-N 2 0 293.415 1.315 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261762516 140386771 /nfs/dbraw/zinc/38/67/71/140386771.db2.gz FIRLZCFCXICPTE-HIFRSBDPSA-N 2 0 297.443 1.121 10 0 CDAERP C[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1noc(CN)n1 ZINC000261846793 140398000 /nfs/dbraw/zinc/39/80/00/140398000.db2.gz UWILRTQNQWSNNV-OUAUKWLOSA-N 2 0 250.346 1.681 10 0 CDAERP O=C(c1cc2c(s1)CC[NH2+]C2)N1CCC2(CC[NH2+]2)CC1 ZINC000662578390 413145729 /nfs/dbraw/zinc/14/57/29/413145729.db2.gz ARBMSNIEQKNJIE-UHFFFAOYSA-N 2 0 291.420 1.362 10 0 CDAERP Cc1ccc(C(=O)NCC[NH2+]C2CCC([NH3+])CC2)cc1 ZINC000094087853 147078746 /nfs/dbraw/zinc/07/87/46/147078746.db2.gz VZKXMLROLCKQHH-UHFFFAOYSA-N 2 0 275.396 1.584 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000097093520 147120998 /nfs/dbraw/zinc/12/09/98/147120998.db2.gz VAUJYCBAFKRVAT-CHWSQXEVSA-N 2 0 267.417 1.495 10 0 CDAERP CC(C)OCC[NH+]1CCC(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000178849589 148094935 /nfs/dbraw/zinc/09/49/35/148094935.db2.gz VVEKSQUHSXDJMY-ZIAGYGMSSA-N 2 0 297.443 1.119 10 0 CDAERP CC[NH+](CC)CCCC1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC000182767323 148265093 /nfs/dbraw/zinc/26/50/93/148265093.db2.gz IWUIPRFUOUCJNQ-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP [NH3+]C[C@@H](NC(=O)C1C[NH2+]C1)c1ccc2ccccc2c1 ZINC000262779001 149113664 /nfs/dbraw/zinc/11/36/64/149113664.db2.gz MAUYHBHJKVVFBM-OAHLLOKOSA-N 2 0 269.348 1.175 10 0 CDAERP O[C@@H](C[NH2+]C[C@H]1CCSC1)C[NH+]1CCCCC1 ZINC000310380931 149193555 /nfs/dbraw/zinc/19/35/55/149193555.db2.gz JEMDIQHFVIRMJB-OLZOCXBDSA-N 2 0 258.431 1.176 10 0 CDAERP Cc1cnn(CC[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c1 ZINC000404281030 413235193 /nfs/dbraw/zinc/23/51/93/413235193.db2.gz DYTPOPTYHOHOGV-UONOGXRCSA-N 2 0 250.390 1.641 10 0 CDAERP C[C@H]([NH3+])c1ccc(C(=O)N2CC[NH+]3CCC2CC3)cc1 ZINC000335049968 150230421 /nfs/dbraw/zinc/23/04/21/150230421.db2.gz BCIPGLGKBATLGW-LBPRGKRZSA-N 2 0 273.380 1.627 10 0 CDAERP CN(CC[NH2+]CC1CCCC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001664309535 1172838870 /nfs/dbraw/zinc/83/88/70/1172838870.db2.gz UHXZHADWCFKPQE-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP CCN1CC[C@H]1C(=O)N(CC[NH+](C)C)C1CCCC1 ZINC001585121340 1172876878 /nfs/dbraw/zinc/87/68/78/1172876878.db2.gz BADBAYSXYFCVJZ-AWEZNQCLSA-N 2 0 267.417 1.413 10 0 CDAERP [NH3+][C@H](Cc1cn(C2CC[NH2+]CC2)nn1)Cc1ccccc1 ZINC000656456575 413284640 /nfs/dbraw/zinc/28/46/40/413284640.db2.gz DRFKPQBKEUACSP-AWEZNQCLSA-N 2 0 285.395 1.315 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C)C12CCC2 ZINC000423392696 286398451 /nfs/dbraw/zinc/39/84/51/286398451.db2.gz LSRBOLSYLFMFQC-RFQIPJPRSA-N 2 0 252.402 1.922 10 0 CDAERP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cncs1 ZINC000349327158 154090860 /nfs/dbraw/zinc/09/08/60/154090860.db2.gz FRTNLZSYHZBGHV-UHFFFAOYSA-N 2 0 268.430 1.212 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)CCOC(C)C)[C@@H](C)C1 ZINC000349859199 154244579 /nfs/dbraw/zinc/24/45/79/154244579.db2.gz ZBSFXDUVASTEDR-JYJNAYRXSA-N 2 0 286.460 1.825 10 0 CDAERP [NH3+]C1(CC(=O)NCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000662678479 413296701 /nfs/dbraw/zinc/29/67/01/413296701.db2.gz FSQCJFZQDDWOHW-UHFFFAOYSA-N 2 0 273.380 1.042 10 0 CDAERP CCN(C(=O)N[C@@H]1C[C@@H](C)[NH+](C2CC2)C1)[C@@H]1CC[N@H+](C)C1 ZINC000664366702 413317995 /nfs/dbraw/zinc/31/79/95/413317995.db2.gz BIFQUOQTCYMFDG-UMVBOHGHSA-N 2 0 294.443 1.347 10 0 CDAERP C[C@H](CNC(=O)C1([NH3+])CC2(CCC2)C1)C[NH+]1CCCCC1 ZINC000662692462 413323648 /nfs/dbraw/zinc/32/36/48/413323648.db2.gz XKWXOXXNVUGYJQ-CQSZACIVSA-N 2 0 293.455 1.886 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2CCC(O)CC2)[C@H]2CCC[C@@H]21 ZINC000658281144 413333797 /nfs/dbraw/zinc/33/37/97/413333797.db2.gz BLYXKKJYPMGJTH-NCOXYXGASA-N 2 0 266.429 2.000 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662711194 413364081 /nfs/dbraw/zinc/36/40/81/413364081.db2.gz LSFKQGSQTVTDRV-HZSPNIEDSA-N 2 0 281.444 1.754 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662731648 413395297 /nfs/dbraw/zinc/39/52/97/413395297.db2.gz HVGZLZCGESOLAV-HUUCEWRRSA-N 2 0 275.396 1.711 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000662730560 413396290 /nfs/dbraw/zinc/39/62/90/413396290.db2.gz JDLULBRHAWUPOJ-NWANDNLSSA-N 2 0 277.412 1.812 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000662731240 413397536 /nfs/dbraw/zinc/39/75/36/413397536.db2.gz ZWYDHDXMTDZXKE-MRXNPFEDSA-N 2 0 289.423 1.478 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2[NH2+]CCC2(C)C)CC[N@@H+]1C ZINC000662746104 413421855 /nfs/dbraw/zinc/42/18/55/413421855.db2.gz QNRDFUDZYIJFOJ-FRRDWIJNSA-N 2 0 267.417 1.316 10 0 CDAERP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2conc2C)CC1 ZINC000660754018 413444959 /nfs/dbraw/zinc/44/49/59/413444959.db2.gz NDQLTNBAHXCGKN-UHFFFAOYSA-N 2 0 280.416 1.489 10 0 CDAERP O=C([C@H]1C[NH2+]Cc2ccccc21)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000335464810 304455961 /nfs/dbraw/zinc/45/59/61/304455961.db2.gz MRSPGJLIVIPYJZ-ZBFHGGJFSA-N 2 0 285.391 1.226 10 0 CDAERP C[C@@]1([NH3+])CCCC[C@H]1C(=O)NCCC1(C[NH3+])CC1 ZINC000653221451 412147683 /nfs/dbraw/zinc/14/76/83/412147683.db2.gz XKCRGBSPQIXVOG-WCQYABFASA-N 2 0 253.390 1.139 10 0 CDAERP CC(C)([NH3+])c1cc(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)on1 ZINC000662779976 413485798 /nfs/dbraw/zinc/48/57/98/413485798.db2.gz WALJBWWFSKOVMZ-HNNXBMFYSA-N 2 0 292.383 1.084 10 0 CDAERP [NH3+]C1(CC(=O)N2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000662785736 413496389 /nfs/dbraw/zinc/49/63/89/413496389.db2.gz JNWOJLXAWAUJNX-UHFFFAOYSA-N 2 0 265.401 1.345 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000654658476 413549413 /nfs/dbraw/zinc/54/94/13/413549413.db2.gz LJNRLHQQNLGSRC-SOUVJXGZSA-N 2 0 294.443 1.206 10 0 CDAERP CCN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@@H+](C(C)C)C1 ZINC001665742135 1173049555 /nfs/dbraw/zinc/04/95/55/1173049555.db2.gz KYUPBUDISRBJAE-AWEZNQCLSA-N 2 0 267.417 1.413 10 0 CDAERP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662886729 413654006 /nfs/dbraw/zinc/65/40/06/413654006.db2.gz LKOHETCSEIRSMS-CQSZACIVSA-N 2 0 293.455 1.898 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH3+])C1 ZINC000662851700 413606881 /nfs/dbraw/zinc/60/68/81/413606881.db2.gz CAUCRIAPBULAIZ-CQSZACIVSA-N 2 0 289.423 1.790 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cnccc2N)C1 ZINC000662855389 413615938 /nfs/dbraw/zinc/61/59/38/413615938.db2.gz XGOCRUDSDCVCHU-SNVBAGLBSA-N 2 0 262.357 1.097 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000662925146 413706883 /nfs/dbraw/zinc/70/68/83/413706883.db2.gz NMQZNUAQVGVACW-MQYQWHSLSA-N 2 0 267.417 1.397 10 0 CDAERP [NH3+]C1(CC(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CCC1 ZINC000659371214 413755567 /nfs/dbraw/zinc/75/55/67/413755567.db2.gz ZTTOYIKSPQCARB-AWEZNQCLSA-N 2 0 289.379 1.558 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NCC[NH2+]C1CCCCCC1 ZINC000659524251 413925441 /nfs/dbraw/zinc/92/54/41/413925441.db2.gz QVCLBEAAXSZGQU-OAHLLOKOSA-N 2 0 298.475 1.971 10 0 CDAERP CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000661219047 413898344 /nfs/dbraw/zinc/89/83/44/413898344.db2.gz MMBHTLAJCJRCBD-JONQDZQNSA-N 2 0 284.444 1.626 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC000665235136 413962224 /nfs/dbraw/zinc/96/22/24/413962224.db2.gz QFTBSQMIFMBDSV-GFCCVEGCSA-N 2 0 276.446 1.308 10 0 CDAERP CO[C@H](C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])[C@@H]1CCOC1 ZINC000665235275 413964273 /nfs/dbraw/zinc/96/42/73/413964273.db2.gz SXAIPHIGUHEGCU-REWJHTLYSA-N 2 0 256.390 1.145 10 0 CDAERP C[C@H](N[C@H]1CC[N@@H+](C(C)(C)C)C1)[C@H]1CCC[NH2+]C1 ZINC000665236791 413968148 /nfs/dbraw/zinc/96/81/48/413968148.db2.gz UKLDIFIORDISGN-IHRRRGAJSA-N 2 0 253.434 1.837 10 0 CDAERP C[C@@H]([NH2+][C@@H](C)COc1c(F)cccc1F)C1C[NH2+]C1 ZINC000665261393 413988790 /nfs/dbraw/zinc/98/87/90/413988790.db2.gz BBELUGXXMDAMOQ-VHSXEESVSA-N 2 0 270.323 1.930 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC[C@@]1(C)CC1(F)F ZINC000665266921 413996488 /nfs/dbraw/zinc/99/64/88/413996488.db2.gz LWTLBWJOUJFBBU-BJDJZHNGSA-N 2 0 262.344 1.764 10 0 CDAERP C[C@@H](NCC(C)(C)C[NH+](C)C)[C@H]1CCC[N@H+](C)C1 ZINC000037209221 173030485 /nfs/dbraw/zinc/03/04/85/173030485.db2.gz LGCCSDYLKGJDBC-KGLIPLIRSA-N 2 0 255.450 1.894 10 0 CDAERP C[C@H]([NH2+][C@H]1CN2CCC1CC2)C1CC[NH+](C)CC1 ZINC000037210052 173031761 /nfs/dbraw/zinc/03/17/61/173031761.db2.gz IKKPWWGRRQOEKU-WFASDCNBSA-N 2 0 251.418 1.401 10 0 CDAERP C[C@H](C[NH2+]CCN1CC[NH+](C)CC1)c1ccccc1 ZINC000037496810 173235624 /nfs/dbraw/zinc/23/56/24/173235624.db2.gz YGNGFNIFASCWJT-OAHLLOKOSA-N 2 0 261.413 1.627 10 0 CDAERP CC(=O)N1CCC([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000657294934 414130657 /nfs/dbraw/zinc/13/06/57/414130657.db2.gz XHBKHQKRQZAISX-UHFFFAOYSA-N 2 0 299.378 1.368 10 0 CDAERP CC[C@H]1C[C@H]([NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)CO1 ZINC000657338474 414197047 /nfs/dbraw/zinc/19/70/47/414197047.db2.gz XURPKEFKHXFGEN-RDJZCZTQSA-N 2 0 295.471 1.702 10 0 CDAERP [NH3+][C@@H]1CCC[C@H](NCc2nc3c(s2)C[NH2+]CC3)C1 ZINC000663497209 414296440 /nfs/dbraw/zinc/29/64/40/414296440.db2.gz LQHNYRNUKPUABJ-ZJUUUORDSA-N 2 0 266.414 1.148 10 0 CDAERP C[C@@]1(O)C[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657493844 414391680 /nfs/dbraw/zinc/39/16/80/414391680.db2.gz JOYUIWJXTWNHGQ-VDISTLRHSA-N 2 0 258.325 1.270 10 0 CDAERP CC[C@@H](C)N(C)C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000665639213 414323755 /nfs/dbraw/zinc/32/37/55/414323755.db2.gz QDNHVLDREQZAOB-UONOGXRCSA-N 2 0 286.464 1.698 10 0 CDAERP COC[C@@H](C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)OC ZINC000662275007 414607754 /nfs/dbraw/zinc/60/77/54/414607754.db2.gz PGXHYKDGTTWZQS-KGLIPLIRSA-N 2 0 256.390 1.112 10 0 CDAERP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@@](C)(C(F)F)O1 ZINC000662237515 414579306 /nfs/dbraw/zinc/57/93/06/414579306.db2.gz VVPIJMFGGOEIAQ-MFKMUULPSA-N 2 0 262.344 1.731 10 0 CDAERP CC(C)NC(=O)[C@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000662316072 414635052 /nfs/dbraw/zinc/63/50/52/414635052.db2.gz IEEGCFXOPQZDOR-CABCVRRESA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000038029486 174020046 /nfs/dbraw/zinc/02/00/46/174020046.db2.gz YKKNZHMLUMPWTL-UPJWGTAASA-N 2 0 255.406 1.350 10 0 CDAERP C[C@H](CNC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)[NH+]1CCCCC1 ZINC000038029447 174020171 /nfs/dbraw/zinc/02/01/71/174020171.db2.gz HKLRWISKAAEOHR-FXUDXRNXSA-N 2 0 293.455 1.898 10 0 CDAERP COc1ccc(Cl)cc1C[NH2+]CCN1CC[NH+](C)CC1 ZINC000038051619 174062725 /nfs/dbraw/zinc/06/27/25/174062725.db2.gz XWRQLWUDIGOWNQ-UHFFFAOYSA-N 2 0 297.830 1.686 10 0 CDAERP C(CC1CC[NH2+]CC1)C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662315224 414632957 /nfs/dbraw/zinc/63/29/57/414632957.db2.gz CSKPBHXEBAEHLQ-HUUCEWRRSA-N 2 0 252.402 1.735 10 0 CDAERP COCC[N@H+](Cc1ccc(C[NH3+])cc1F)C1CC1 ZINC000042517592 174768615 /nfs/dbraw/zinc/76/86/15/174768615.db2.gz WMPWVTCTYZMXNG-UHFFFAOYSA-N 2 0 252.333 1.895 10 0 CDAERP CC[C@@H]([NH3+])[C@@H](c1ccccn1)N1CCC[N@H+](C)CC1 ZINC000043338994 175013331 /nfs/dbraw/zinc/01/33/31/175013331.db2.gz HFOXYEVTTIKJOO-HIFRSBDPSA-N 2 0 262.401 1.498 10 0 CDAERP C[C@@H]([NH3+])[C@H](c1cccnc1)N(C)C1CC[NH+](C)CC1 ZINC000043345690 175017045 /nfs/dbraw/zinc/01/70/45/175017045.db2.gz ZQUXTXOIALPLMY-IUODEOHRSA-N 2 0 262.401 1.496 10 0 CDAERP CC[C@H]([NH3+])[C@@H](c1cccnc1)N1CCC([NH+](C)C)CC1 ZINC000043346801 175017299 /nfs/dbraw/zinc/01/72/99/175017299.db2.gz KVDQVCKYJPNADN-JKSUJKDBSA-N 2 0 276.428 1.886 10 0 CDAERP CC[C@H]([NH3+])[C@H](c1ccncc1)N1CC[NH+](C(C)C)CC1 ZINC000043353683 175020935 /nfs/dbraw/zinc/02/09/35/175020935.db2.gz NLILWYBKGMIPKB-HOTGVXAUSA-N 2 0 276.428 1.886 10 0 CDAERP CC[C@H]([NH3+])[C@H](N(C)C1CC[NH+](C)CC1)C(F)(F)F ZINC000043376456 175030021 /nfs/dbraw/zinc/03/00/21/175030021.db2.gz ORMMADQZFCVWIM-QWRGUYRKSA-N 2 0 267.339 1.681 10 0 CDAERP CCN(CC)C(=O)[C@H](C)[N@H+](CCC[NH3+])CC(C)C ZINC000043417392 175038247 /nfs/dbraw/zinc/03/82/47/175038247.db2.gz XGUYSMLXIFBZMO-ZDUSSCGKSA-N 2 0 257.422 1.550 10 0 CDAERP CCC[NH+]1CCN([C@H]2C[C@@H](C)CC[C@@H]2[NH2+]C)CC1 ZINC000043805227 175107765 /nfs/dbraw/zinc/10/77/65/175107765.db2.gz OIRIMCBDNVXNMA-KKUMJFAQSA-N 2 0 253.434 1.791 10 0 CDAERP C[NH2+][C@@H]1c2ccccc2OC[C@@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815248 175111686 /nfs/dbraw/zinc/11/16/86/175111686.db2.gz OPEVAOMTYKGYKC-DOTOQJQBSA-N 2 0 289.423 1.734 10 0 CDAERP CC[NH2+][C@@H](C)CN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000043817805 175113468 /nfs/dbraw/zinc/11/34/68/175113468.db2.gz BOLRMVUYKILOOR-GOEBONIOSA-N 2 0 261.413 1.973 10 0 CDAERP C[NH2+][C@H]1c2ccccc2C[C@@H]1N1CC[NH+](C(C)C)CC1 ZINC000043896936 175120054 /nfs/dbraw/zinc/12/00/54/175120054.db2.gz PDAJAWALFJSQKD-IRXDYDNUSA-N 2 0 273.424 1.898 10 0 CDAERP CC[NH2+][C@H]1CCC[C@H]1N1CC[NH+](C(C)(C)C)CC1 ZINC000043965592 175126889 /nfs/dbraw/zinc/12/68/89/175126889.db2.gz FYBRDWPRIOFQEW-UONOGXRCSA-N 2 0 253.434 1.933 10 0 CDAERP CC[NH+]1CCC(C[NH2+]CCCn2ccnc2)CC1 ZINC000044518434 175190793 /nfs/dbraw/zinc/19/07/93/175190793.db2.gz IXUUUKORQIBAJF-UHFFFAOYSA-N 2 0 250.390 1.595 10 0 CDAERP CC[NH+]1CCC(C[NH+]2C[C@H](C)C[NH2+]C[C@@H](C)C2)CC1 ZINC000044526854 175191871 /nfs/dbraw/zinc/19/18/71/175191871.db2.gz PFDJFKWUAMOQLO-HUUCEWRRSA-N 3 0 267.461 1.896 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000044533777 175197351 /nfs/dbraw/zinc/19/73/51/175197351.db2.gz AZAZDLXKTZZGAO-RYUDHWBXSA-N 2 0 288.395 1.849 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CNC(=O)C1CCC([NH3+])CC1 ZINC000044564437 175207619 /nfs/dbraw/zinc/20/76/19/175207619.db2.gz JIBZAKGUMMWGEW-BPCQOVAHSA-N 2 0 253.390 1.104 10 0 CDAERP CN(CCC[NH3+])C(=O)C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045069409 175300541 /nfs/dbraw/zinc/30/05/41/175300541.db2.gz LGMSAOFCYOJKOE-CQSZACIVSA-N 2 0 267.417 1.448 10 0 CDAERP CCCC(C[NH3+])(CCC)C(=O)NC[C@H](C)[NH+](C)C ZINC000045108018 175309086 /nfs/dbraw/zinc/30/90/86/175309086.db2.gz POZHGJCCQAQJTJ-LBPRGKRZSA-N 2 0 257.422 1.598 10 0 CDAERP C[C@H]([NH3+])c1ccc(NC(=O)NC[C@H](C)[NH+](C)C)cc1 ZINC000045114010 175311099 /nfs/dbraw/zinc/31/10/99/175311099.db2.gz QZHCGOWLCAVMKN-QWRGUYRKSA-N 2 0 264.373 1.778 10 0 CDAERP Cc1nn(C)c(C)c1[C@H](C)[NH2+]C[C@H]1CC[N@H+](C)C1 ZINC000045171431 175321129 /nfs/dbraw/zinc/32/11/29/175321129.db2.gz NWEITENULLEIOT-GXFFZTMASA-N 2 0 250.390 1.639 10 0 CDAERP CCC[NH2+][C@](C)(CC[NH+]1CCC(C[NH+](C)C)CC1)C(=O)[O-] ZINC000045277077 175346774 /nfs/dbraw/zinc/34/67/74/175346774.db2.gz KGGBSVGIZHLAHX-MRXNPFEDSA-N 2 0 299.459 1.493 10 0 CDAERP CCC[NH2+][C@@](C)(CCCC[N@@H+]1CCC[C@@H]1C)C(N)=O ZINC000045367814 175363261 /nfs/dbraw/zinc/36/32/61/175363261.db2.gz SOZLOIRRVYIOGI-ZFWWWQNUSA-N 2 0 269.433 1.885 10 0 CDAERP CCC[NH+]1CCN(CCC[C@](C)([NH2+]C(C)C)C(N)=O)CC1 ZINC000045374043 175365933 /nfs/dbraw/zinc/36/59/33/175365933.db2.gz BMYAOGAIMBEAFB-INIZCTEOSA-N 2 0 298.475 1.036 10 0 CDAERP CCC[NH2+][C@@](C)(CCC[N@H+](C)C1CCOCC1)C(N)=O ZINC000045418528 175377535 /nfs/dbraw/zinc/37/75/35/175377535.db2.gz BFMRDRQNZGRURE-HNNXBMFYSA-N 2 0 285.432 1.121 10 0 CDAERP CC[N@H+](CCC[C@@](C)([NH2+]C1CC1)C(N)=O)C[C@@H]1CCCO1 ZINC000045421668 175380076 /nfs/dbraw/zinc/38/00/76/175380076.db2.gz FUHMYHQGIDVBHT-GOEBONIOSA-N 2 0 297.443 1.264 10 0 CDAERP C[NH+](C)C1CCN([C@]2(C[NH3+])CCOC(C)(C)C2)CC1 ZINC000070363622 175892084 /nfs/dbraw/zinc/89/20/84/175892084.db2.gz VEKHAVBCEXUZSN-OAHLLOKOSA-N 2 0 269.433 1.299 10 0 CDAERP COC(=O)[C@H](C)C[N@H+](C)C[C@@H](C[NH3+])c1ccccc1 ZINC000070941132 176015038 /nfs/dbraw/zinc/01/50/38/176015038.db2.gz IQWYJSKVSBYUAP-TZMCWYRMSA-N 2 0 264.369 1.470 10 0 CDAERP CCC[NH2+][C@@H]1CCCN([C@@H]2CCC[N@H+](C)C2)C1=O ZINC000071031091 176022398 /nfs/dbraw/zinc/02/23/98/176022398.db2.gz NIFMYHFSDWMYOR-CHWSQXEVSA-N 2 0 253.390 1.071 10 0 CDAERP C[C@@H](C[NH+]1CCCC1)N1CCC[C@H]([NH2+]C2CC2)C1=O ZINC000071033597 176024192 /nfs/dbraw/zinc/02/41/92/176024192.db2.gz ORLMNXGKLBABOV-JSGCOSHPSA-N 2 0 265.401 1.214 10 0 CDAERP CC[NH2+][C@@H]1CCCN(C[C@H]2CCCC[N@@H+]2C)C1=O ZINC000071033670 176024368 /nfs/dbraw/zinc/02/43/68/176024368.db2.gz ZFSVUIKKZLFXGQ-CHWSQXEVSA-N 2 0 253.390 1.071 10 0 CDAERP C[C@H](CC[NH+](C)C)N1CCC[C@@H]([NH2+]C2CC2)C1=O ZINC000071037260 176025806 /nfs/dbraw/zinc/02/58/06/176025806.db2.gz ODANZTJXHMLFHY-DGCLKSJQSA-N 2 0 253.390 1.070 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)N1CCC[C@H]([NH2+]C2CC2)C1=O ZINC000071037395 176026062 /nfs/dbraw/zinc/02/60/62/176026062.db2.gz BQBRNRMIMLXXQE-ZFWWWQNUSA-N 2 0 279.428 1.604 10 0 CDAERP CCC[NH2+][C@H]1CCCN([C@@H](C)CC[NH+](C)C)C1=O ZINC000071037238 176026173 /nfs/dbraw/zinc/02/61/73/176026173.db2.gz CLEDYFRMXUKFCC-STQMWFEESA-N 2 0 255.406 1.317 10 0 CDAERP CC[NH2+][C@@H]1CCN([C@H](C)C[NH+]2CCCCC2)C1=O ZINC000071037377 176026186 /nfs/dbraw/zinc/02/61/86/176026186.db2.gz MVOJYDNEKUGEPG-CHWSQXEVSA-N 2 0 253.390 1.071 10 0 CDAERP CC[C@H]1CCC[C@@H]([NH+]2CCN([C@@H](C)C[NH3+])CC2)C1 ZINC000071147668 176043329 /nfs/dbraw/zinc/04/33/29/176043329.db2.gz UEBBDYSSCBKLRU-SOUVJXGZSA-N 2 0 253.434 1.920 10 0 CDAERP Cc1ccc([C@H]([C@@H](C)[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)o1 ZINC000071187907 176062085 /nfs/dbraw/zinc/06/20/85/176062085.db2.gz OADCQBAQYJAIMT-NFAWXSAZSA-N 2 0 265.401 1.860 10 0 CDAERP C[C@H]([NH3+])[C@@H](c1cccnc1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188124 176063076 /nfs/dbraw/zinc/06/30/76/176063076.db2.gz UUCFEFGYTGURFH-GUTXKFCHSA-N 2 0 262.401 1.353 10 0 CDAERP CCOc1ccccc1[C@H](C[NH3+])N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188625 176063359 /nfs/dbraw/zinc/06/33/59/176063359.db2.gz VTHIHYCQDHEJLT-ZBFHGGJFSA-N 2 0 291.439 1.969 10 0 CDAERP C[NH2+][C@@H]1c2ccccc2C[C@@H]1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188844 176063823 /nfs/dbraw/zinc/06/38/23/176063823.db2.gz XCQIEBMGSNUYFO-XOKHGSTOSA-N 2 0 273.424 1.755 10 0 CDAERP C[NH2+][C@H]1CCCCC[C@H]1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188997 176064533 /nfs/dbraw/zinc/06/45/33/176064533.db2.gz YVEPUGMKMHUFJV-QLFBSQMISA-N 2 0 253.434 1.791 10 0 CDAERP CCC[C@@]1(C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)CC[NH2+]C1 ZINC000071189624 176065483 /nfs/dbraw/zinc/06/54/83/176065483.db2.gz DMZBJJGGRMIZBF-UKRRQHHQSA-N 2 0 267.417 1.176 10 0 CDAERP CCC[C@]1(C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)CC[NH2+]C1 ZINC000071189623 176065918 /nfs/dbraw/zinc/06/59/18/176065918.db2.gz DMZBJJGGRMIZBF-HIFRSBDPSA-N 2 0 267.417 1.176 10 0 CDAERP CN(C[C@H]1CC[N@H+](C)C1)C(=O)Nc1cccc(C[NH3+])c1 ZINC000071192006 176071614 /nfs/dbraw/zinc/07/16/14/176071614.db2.gz BHZMNLBLDPIEIL-ZDUSSCGKSA-N 2 0 276.384 1.561 10 0 CDAERP CC(C)c1ncc(N(C)C[C@H]2CC[N@H+](C)C2)c(C[NH3+])n1 ZINC000071191779 176072212 /nfs/dbraw/zinc/07/22/12/176072212.db2.gz YKVHDOBNTXLUBT-LBPRGKRZSA-N 2 0 277.416 1.447 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)Nc1cccc(C[NH3+])c1 ZINC000071192007 176072496 /nfs/dbraw/zinc/07/24/96/176072496.db2.gz BHZMNLBLDPIEIL-CYBMUJFWSA-N 2 0 276.384 1.561 10 0 CDAERP C[C@H]1CC[C@H](C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)C[C@@H]1[NH3+] ZINC000071193258 176075055 /nfs/dbraw/zinc/07/50/55/176075055.db2.gz OWARPJRHRSXCRT-CRWXNKLISA-N 2 0 267.417 1.160 10 0 CDAERP C[C@H]1CC[C@@H](C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)C[C@@H]1[NH3+] ZINC000071193260 176075337 /nfs/dbraw/zinc/07/53/37/176075337.db2.gz OWARPJRHRSXCRT-DGAVXFQQSA-N 2 0 267.417 1.160 10 0 CDAERP C[NH+](C)C1CCN(Cc2ccc(F)cc2C(N)=[NH2+])CC1 ZINC000071267702 176100955 /nfs/dbraw/zinc/10/09/55/176100955.db2.gz YSJMDPSIFLFYLN-UHFFFAOYSA-N 2 0 278.375 1.636 10 0 CDAERP C[NH2+][C@@H]1CCCC[C@@H]1CN1CC[NH+](CC(C)(C)O)CC1 ZINC000071381737 176145436 /nfs/dbraw/zinc/14/54/36/176145436.db2.gz UUBAEOOZMBFSRO-HUUCEWRRSA-N 2 0 283.460 1.153 10 0 CDAERP C[NH2+][C@@H](CCN1CC[NH+](CC(C)(C)O)CC1)C(C)(C)C ZINC000071381812 176145510 /nfs/dbraw/zinc/14/55/10/176145510.db2.gz PVGLPMVANIVLJT-AWEZNQCLSA-N 2 0 285.476 1.399 10 0 CDAERP C[NH+](C)CCCOc1nc2ccccc2cc1C(N)=[NH2+] ZINC000071390378 176148494 /nfs/dbraw/zinc/14/84/94/176148494.db2.gz LDFLOCYLGXVTQX-UHFFFAOYSA-N 2 0 272.352 1.849 10 0 CDAERP COC[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000071905399 176296453 /nfs/dbraw/zinc/29/64/53/176296453.db2.gz MONGLGSQUFTSFX-XHSDSOJGSA-N 2 0 284.444 1.580 10 0 CDAERP CC(C)[C@@H](CC[NH3+])CCC(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC000079254382 177458847 /nfs/dbraw/zinc/45/88/47/177458847.db2.gz ZAJRVOHGYWGRPI-UKRRQHHQSA-N 2 0 281.444 1.598 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001666525265 1173144497 /nfs/dbraw/zinc/14/44/97/1173144497.db2.gz CMRUEGZWSLHRET-ZIAGYGMSSA-N 2 0 267.417 1.389 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001666870094 1173197427 /nfs/dbraw/zinc/19/74/27/1173197427.db2.gz HYKLQSWZSXEUMA-KBPBESRZSA-N 2 0 269.433 1.563 10 0 CDAERP COCCOc1cccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)c1 ZINC000414955223 263160312 /nfs/dbraw/zinc/16/03/12/263160312.db2.gz MAHWYLRILQHTGX-CJNGLKHVSA-N 2 0 278.396 1.799 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655446788 423863004 /nfs/dbraw/zinc/86/30/04/423863004.db2.gz AZZSKFVKYUOTJW-DLTWYDFYSA-N 2 0 293.455 1.755 10 0 CDAERP CN(Cc1ccc2c(c1)C[NH2+]CC2)[C@H](C[NH3+])C(F)(F)F ZINC000662331580 423968049 /nfs/dbraw/zinc/96/80/49/423968049.db2.gz NUBBJTSUQKZTGC-CYBMUJFWSA-N 2 0 287.329 1.654 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000652216782 424072158 /nfs/dbraw/zinc/07/21/58/424072158.db2.gz GKRLKFNRRYVXEW-KBPBESRZSA-N 2 0 284.448 1.262 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000652224982 424083259 /nfs/dbraw/zinc/08/32/59/424083259.db2.gz MPGYSYNZQACYEO-UONOGXRCSA-N 2 0 284.448 1.356 10 0 CDAERP [NH3+]CC1(CCNC(=O)NC2CC[NH+](C3CCC3)CC2)CC1 ZINC000652198466 424043664 /nfs/dbraw/zinc/04/36/64/424043664.db2.gz IIFLNKXJBBLAOE-UHFFFAOYSA-N 2 0 294.443 1.432 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)NCC1CC[NH2+]CC1 ZINC000652202866 424053966 /nfs/dbraw/zinc/05/39/66/424053966.db2.gz WLGMBFMSXCZALY-UHFFFAOYSA-N 2 0 290.411 1.205 10 0 CDAERP CC[N@@H+]1C[C@H](C)N(C(=O)NCCC2(C[NH3+])CC2)C[C@H]1C ZINC000652238986 424117323 /nfs/dbraw/zinc/11/73/23/424117323.db2.gz XZHPCSUIPNGZHR-OLZOCXBDSA-N 2 0 282.432 1.240 10 0 CDAERP C[NH+]1CCC2(CCCN2C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652238806 424118925 /nfs/dbraw/zinc/11/89/25/424118925.db2.gz RZNWNKKEVGQAGO-UHFFFAOYSA-N 2 0 294.443 1.385 10 0 CDAERP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655515436 424165145 /nfs/dbraw/zinc/16/51/45/424165145.db2.gz JYUPCNJGDPVOMR-HTQZYQBOSA-N 2 0 269.311 1.016 10 0 CDAERP C[C@@H](CCNC(=O)[C@H](C[NH3+])c1ccc(F)cc1)[NH+](C)C ZINC000662633660 424262451 /nfs/dbraw/zinc/26/24/51/424262451.db2.gz NBCHYCMAHGQVHF-SMDDNHRTSA-N 2 0 281.375 1.324 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662681078 424304694 /nfs/dbraw/zinc/30/46/94/424304694.db2.gz TVVDNUWHDUDSAW-ZDUSSCGKSA-N 2 0 279.428 1.639 10 0 CDAERP CCOCCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652362827 424313084 /nfs/dbraw/zinc/31/30/84/424313084.db2.gz RAQNOQSQUSANQE-KFWWJZLASA-N 2 0 270.417 1.774 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000518999044 265291745 /nfs/dbraw/zinc/29/17/45/265291745.db2.gz UZOLNBZKOVLFAG-FUDCBSFHSA-N 2 0 265.401 1.070 10 0 CDAERP CN(C(=O)[C@@H]1[NH2+]CCC1(C)C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000662720285 424373547 /nfs/dbraw/zinc/37/35/47/424373547.db2.gz YOJXFELWKAKYBS-OLZOCXBDSA-N 2 0 265.401 1.070 10 0 CDAERP C[C@H]1C[C@@H](NC(=O)c2ccccc2CC[NH3+])CC[NH2+]1 ZINC000653136037 424348200 /nfs/dbraw/zinc/34/82/00/424348200.db2.gz YLGJIAGTIFXSRI-AAEUAGOBSA-N 2 0 261.369 1.058 10 0 CDAERP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)O1 ZINC000665264639 424480040 /nfs/dbraw/zinc/48/00/40/424480040.db2.gz FFBIVQNHYBGSBF-IBEHDNSVSA-N 2 0 282.428 1.691 10 0 CDAERP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CCCNC1=O ZINC000359520582 276335315 /nfs/dbraw/zinc/33/53/15/276335315.db2.gz BDCAKARKLLMXDO-INIZCTEOSA-N 2 0 289.423 1.897 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000354871310 276393763 /nfs/dbraw/zinc/39/37/63/276393763.db2.gz MVUNVYKLRNCFKO-JKSUJKDBSA-N 2 0 295.471 1.907 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H](O)C2)[C@H]2CCC[C@H]21 ZINC000353515873 277171475 /nfs/dbraw/zinc/17/14/75/277171475.db2.gz FZWPTFQZFFVWNM-DGADGQDISA-N 2 0 266.429 2.000 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cnc(C)o1)[NH+](C)C ZINC001668279058 1173391012 /nfs/dbraw/zinc/39/10/12/1173391012.db2.gz OFYHWRKRVBPWRX-FZMZJTMJSA-N 2 0 296.415 1.308 10 0 CDAERP COC[C@](C)(O)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000453246048 277268592 /nfs/dbraw/zinc/26/85/92/277268592.db2.gz CIYCSSHCQLZOEG-KBUPBQIOSA-N 2 0 270.417 1.236 10 0 CDAERP CC(C)C[NH+]1CCC(N[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000358020635 277386418 /nfs/dbraw/zinc/38/64/18/277386418.db2.gz FNYZURUXTSXDIV-UKRRQHHQSA-N 2 0 253.434 1.647 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H](CN[C@H]2C[NH+](C)C[C@@H]2C)C1 ZINC000358335172 277397476 /nfs/dbraw/zinc/39/74/76/277397476.db2.gz ARADHNFLAKVTDU-XHSDSOJGSA-N 2 0 267.461 1.894 10 0 CDAERP C[C@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)c1ccc(NC(N)=O)cc1 ZINC000400494868 278268510 /nfs/dbraw/zinc/26/85/10/278268510.db2.gz HCHCQQMVDQXZJH-GVXVVHGQSA-N 2 0 276.384 1.826 10 0 CDAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000357874403 278381375 /nfs/dbraw/zinc/38/13/75/278381375.db2.gz JDSXLWDBGVYDQE-FXQLRMTLSA-N 2 0 293.455 1.992 10 0 CDAERP CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)[C@@H]1C[C@@H]1C ZINC000333347977 288065628 /nfs/dbraw/zinc/06/56/28/288065628.db2.gz ZRUUWSFJSOIIKW-MSJOGUNTSA-N 2 0 293.455 1.657 10 0 CDAERP CCC[C@@H]1C[NH2+]CCN1C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000417013923 278891899 /nfs/dbraw/zinc/89/18/99/278891899.db2.gz ZFZSEXHLJDNFCD-ZIAGYGMSSA-N 2 0 284.448 1.500 10 0 CDAERP CC[NH+](CC)C[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000362897983 279123491 /nfs/dbraw/zinc/12/34/91/279123491.db2.gz WQPPGQNEXVUCEG-INIZCTEOSA-N 2 0 295.471 1.909 10 0 CDAERP CC(C)C[C@H](CN[C@H](C1CC1)[C@H]1C[NH2+]CCO1)[NH+](C)C ZINC000422815442 279164928 /nfs/dbraw/zinc/16/49/28/279164928.db2.gz BRYYFRLHRWYIJX-BZUAXINKSA-N 2 0 283.460 1.319 10 0 CDAERP CC[NH+]1CCC(CC[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000422784838 279256906 /nfs/dbraw/zinc/25/69/06/279256906.db2.gz MLNBWIHLOGAWRN-DZGCQCFKSA-N 3 0 253.434 1.839 10 0 CDAERP CC[NH+]1CCC(CC[NH2+][C@@H]2CNCC[C@@H]2C)CC1 ZINC000422786451 279257311 /nfs/dbraw/zinc/25/73/11/279257311.db2.gz OVIFQFVRJOOLJK-DZGCQCFKSA-N 2 0 253.434 1.696 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCC[NH+]1C ZINC000111841551 279281095 /nfs/dbraw/zinc/28/10/95/279281095.db2.gz ZIGGAUKNTKDOJO-KBPBESRZSA-N 2 0 282.432 1.254 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCC[NH+](C)C(C)C ZINC000177489093 279297612 /nfs/dbraw/zinc/29/76/12/279297612.db2.gz CGMYWUPIVDSHKW-CQSZACIVSA-N 2 0 284.448 1.452 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000092629924 279299921 /nfs/dbraw/zinc/29/99/21/279299921.db2.gz JFVKARPHGUGZFL-UPJWGTAASA-N 2 0 253.390 1.057 10 0 CDAERP Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2C[C@H]2CCC[NH2+]C2)cn1 ZINC000262050253 279349117 /nfs/dbraw/zinc/34/91/17/279349117.db2.gz ZLWZZPBGBSHZDW-NUEKZKHPSA-N 2 0 292.427 1.308 10 0 CDAERP CC[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000262448479 279515800 /nfs/dbraw/zinc/51/58/00/279515800.db2.gz JIDFENZUBGNKTF-VOAKCMCISA-N 2 0 253.390 1.021 10 0 CDAERP CC(C)[C@@H]([NH3+])CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000418406515 279876696 /nfs/dbraw/zinc/87/66/96/279876696.db2.gz LVLSJPPTRQSEDA-CABCVRRESA-N 2 0 296.459 1.630 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H]1C[NH2+]CC[C@@H]1C)[NH+]1CCCCC1 ZINC000186800682 280185032 /nfs/dbraw/zinc/18/50/32/280185032.db2.gz WCUVZCFTRJNHTH-SOUVJXGZSA-N 2 0 281.444 1.611 10 0 CDAERP C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1CCC[NH+](C)C1 ZINC000248953284 280397365 /nfs/dbraw/zinc/39/73/65/280397365.db2.gz FMOUIMZDFGSBHJ-QWRGUYRKSA-N 2 0 268.323 1.573 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1CNC(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000334927059 281000302 /nfs/dbraw/zinc/00/03/02/281000302.db2.gz DXIJICGAPHTGRG-STQMWFEESA-N 2 0 296.459 1.533 10 0 CDAERP C[NH+](C)C1(CNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)CCC1 ZINC000446624153 289048539 /nfs/dbraw/zinc/04/85/39/289048539.db2.gz NKCYLBYJMJTPLD-AWEZNQCLSA-N 2 0 292.427 1.126 10 0 CDAERP CCC[C@@H](C(=O)NCCC[NH+]1CCC(C)CC1)[NH+](C)C ZINC000159176439 289328032 /nfs/dbraw/zinc/32/80/32/289328032.db2.gz YXOSYLKAGVNMET-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC000553492140 290121696 /nfs/dbraw/zinc/12/16/96/290121696.db2.gz TZQBIIAHFHUTDY-JKSUJKDBSA-N 2 0 293.455 1.663 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000555617906 290229971 /nfs/dbraw/zinc/22/99/71/290229971.db2.gz LUQURBIMDZWXQE-UHFFFAOYSA-N 2 0 267.417 1.271 10 0 CDAERP CC[C@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)[C@@H]1CC1(C)C ZINC000557256531 290339073 /nfs/dbraw/zinc/33/90/73/290339073.db2.gz GGFURFNERKMCDT-KKUMJFAQSA-N 2 0 283.460 1.009 10 0 CDAERP C[C@H]1CCC[N@H+](CCNC(=O)CN2CC(C)(C)C2)C1 ZINC000557523114 290349700 /nfs/dbraw/zinc/34/97/00/290349700.db2.gz IURHVRUBSOYUQF-ZDUSSCGKSA-N 2 0 267.417 1.176 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@]1(N(C)C)CCC[C@@H](C)C1 ZINC000234793128 293096862 /nfs/dbraw/zinc/09/68/62/293096862.db2.gz SCJPDNMZLZQSFI-PMPSAXMXSA-N 2 0 285.476 1.840 10 0 CDAERP CC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@@H](O)C(F)F ZINC000562675656 293172010 /nfs/dbraw/zinc/17/20/10/293172010.db2.gz RQXDAIPFHCFBNP-CHWSQXEVSA-N 2 0 276.371 1.855 10 0 CDAERP C[C@@H]1CC[C@@H]([NH2+]CC(=O)N2CC[NH2+]CC2)c2sccc21 ZINC000564822278 293422490 /nfs/dbraw/zinc/42/24/90/293422490.db2.gz KFANLNFMYFDKES-DGCLKSJQSA-N 2 0 293.436 1.708 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2COc3ccc(F)cc3C2)C1 ZINC000565226771 293569639 /nfs/dbraw/zinc/56/96/39/293569639.db2.gz NNZFSKUPHCTYIF-HZSPNIEDSA-N 2 0 264.344 1.989 10 0 CDAERP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)[C@@H]([NH3+])CC(F)F ZINC000567736975 293856257 /nfs/dbraw/zinc/85/62/57/293856257.db2.gz GETBVQYNVYRRQB-RYUDHWBXSA-N 2 0 283.322 1.054 10 0 CDAERP CCCN(CC[NH+](CC)CC)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000569019735 294144081 /nfs/dbraw/zinc/14/40/81/294144081.db2.gz NZUQIGUAUKKNHD-OAHLLOKOSA-N 2 0 283.460 1.909 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])[C@H]1n1cccn1 ZINC000570562049 294261353 /nfs/dbraw/zinc/26/13/53/294261353.db2.gz KCWMGOMIIPANMX-IBEHDNSVSA-N 2 0 292.427 1.709 10 0 CDAERP C[NH2+]C[C@@H]1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000574754527 295049196 /nfs/dbraw/zinc/04/91/96/295049196.db2.gz DIENFRVJYGVXSL-KBPBESRZSA-N 2 0 267.417 1.319 10 0 CDAERP [NH3+][C@H](CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000574862086 295065091 /nfs/dbraw/zinc/06/50/91/295065091.db2.gz AWXNHEYRLSBYRA-LSDHHAIUSA-N 2 0 288.395 1.222 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCCCCC[NH3+] ZINC000094460008 297093199 /nfs/dbraw/zinc/09/31/99/297093199.db2.gz BFAXRZWLNIHSCO-ZIAGYGMSSA-N 2 0 267.417 1.591 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)[C@H]2[NH2+]CCCC2(C)C)CC[N@@H+]1C ZINC000261566756 297281586 /nfs/dbraw/zinc/28/15/86/297281586.db2.gz HLHOZNFZUPFLNU-FRRDWIJNSA-N 2 0 267.417 1.364 10 0 CDAERP COCC[NH2+]C/C=C/CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001669075573 1173501929 /nfs/dbraw/zinc/50/19/29/1173501929.db2.gz UULKGVVWNJRMRE-NFAHFFEMSA-N 2 0 297.443 1.159 10 0 CDAERP C[C@H]1C[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C(C)(C)C1 ZINC000334881815 300267304 /nfs/dbraw/zinc/26/73/04/300267304.db2.gz MFGQZDBPOVBXIK-OLZOCXBDSA-N 2 0 267.417 1.304 10 0 CDAERP CCCC[NH2+]C[C@H](C)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001669724178 1173590638 /nfs/dbraw/zinc/59/06/38/1173590638.db2.gz KAYQNAZKJCIHMG-ZFWWWQNUSA-N 2 0 267.417 1.367 10 0 CDAERP CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001671737053 1173708073 /nfs/dbraw/zinc/70/80/73/1173708073.db2.gz WOZMBEDOFPFSJS-NVXWUHKLSA-N 2 0 293.455 1.566 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000563373647 316277375 /nfs/dbraw/zinc/27/73/75/316277375.db2.gz JDIMBDVPSKLORG-HUUCEWRRSA-N 2 0 279.428 1.415 10 0 CDAERP CC[C@H](C)NC(=O)CC[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000566089528 316471453 /nfs/dbraw/zinc/47/14/53/316471453.db2.gz LLSLTHPGGKIRDE-XQQFMLRXSA-N 2 0 255.406 1.269 10 0 CDAERP C[C@H](Cc1cnccn1)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000576208795 317095410 /nfs/dbraw/zinc/09/54/10/317095410.db2.gz BLAOQWIKAIDTOF-GFCCVEGCSA-N 2 0 267.336 1.845 10 0 CDAERP CCC[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001672286535 1173763878 /nfs/dbraw/zinc/76/38/78/1173763878.db2.gz IYKXWEPTYQMQSV-UONOGXRCSA-N 2 0 281.444 1.565 10 0 CDAERP CCCC1(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CCC1 ZINC000576576838 317164365 /nfs/dbraw/zinc/16/43/65/317164365.db2.gz KJRJZLUAQGJWLV-OAHLLOKOSA-N 2 0 283.460 1.155 10 0 CDAERP C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C[NH2+]CCF ZINC001672315655 1173764876 /nfs/dbraw/zinc/76/48/76/1173764876.db2.gz PVRKSJJJVXNPTO-DZGCQCFKSA-N 2 0 299.434 1.372 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000577502875 317343506 /nfs/dbraw/zinc/34/35/06/317343506.db2.gz IAOJRUQBNFOVIU-WQVCFCJDSA-N 2 0 280.387 1.801 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CC[C@H](CC[NH2+]CCCF)C1 ZINC001672909750 1173808681 /nfs/dbraw/zinc/80/86/81/1173808681.db2.gz IJVKGNZQNMWXKN-AWEZNQCLSA-N 2 0 285.407 1.270 10 0 CDAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@]1(C)CCCC[NH2+]1 ZINC000180990294 323224713 /nfs/dbraw/zinc/22/47/13/323224713.db2.gz DLXYBSDXZPJOTB-ZFWWWQNUSA-N 2 0 267.417 1.319 10 0 CDAERP C[NH2+]C1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000583023356 325091335 /nfs/dbraw/zinc/09/13/35/325091335.db2.gz LFHYTYZJTFLTKF-UHFFFAOYSA-N 2 0 258.325 1.158 10 0 CDAERP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H](c2cnn[nH]2)c2ccc(F)cc2)C1 ZINC000583687692 325220541 /nfs/dbraw/zinc/22/05/41/325220541.db2.gz IUGILTXZEMOXJA-DGFSRKRXSA-N 2 0 289.358 1.750 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN[C@@H]1CC[NH2+]C[C@H]1C ZINC000583982170 325278422 /nfs/dbraw/zinc/27/84/22/325278422.db2.gz YMFWUKKCJHGNMU-MLGOLLRUSA-N 2 0 285.395 1.663 10 0 CDAERP CC(C)OCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001725591333 1159257476 /nfs/dbraw/zinc/25/74/76/1159257476.db2.gz LUYGQHRVSGSTBE-HUUCEWRRSA-N 2 0 297.443 1.086 10 0 CDAERP CC(C)[C@H](C(=O)N(C)CC[NH2+]CC[C@@H]1CCOC1)[NH+](C)C ZINC001691464830 1159326412 /nfs/dbraw/zinc/32/64/12/1159326412.db2.gz FEYGSDPHPYNYSA-HUUCEWRRSA-N 2 0 299.459 1.047 10 0 CDAERP CCCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001482102437 1159981205 /nfs/dbraw/zinc/98/12/05/1159981205.db2.gz SUCYBSPGVUMEQQ-DZGCQCFKSA-N 2 0 281.444 1.470 10 0 CDAERP C[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@H](CCO)c1ccccc1 ZINC000662254037 482203286 /nfs/dbraw/zinc/20/32/86/482203286.db2.gz DLXAGWGVZSWJMC-JKSUJKDBSA-N 2 0 290.407 1.563 10 0 CDAERP c1[nH+]cn2cc(C[NH2+][C@H]3CO[C@H](C4CC4)C3)ccc12 ZINC000668234807 482219185 /nfs/dbraw/zinc/21/91/85/482219185.db2.gz VRGRRMHFUZOGIY-HIFRSBDPSA-N 2 0 257.337 1.991 10 0 CDAERP CC[C@@H]([NH3+])C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000152954394 482418886 /nfs/dbraw/zinc/41/88/86/482418886.db2.gz XBROHYSODAVORH-GXTWGEPZSA-N 2 0 263.385 1.360 10 0 CDAERP [NH3+]CC1(CCNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000652132713 482444470 /nfs/dbraw/zinc/44/44/70/482444470.db2.gz UCGQZCISRGTBGR-CHWSQXEVSA-N 2 0 280.416 1.041 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N1CCC[C@H]1C[NH2+]C ZINC000652291762 482459059 /nfs/dbraw/zinc/45/90/59/482459059.db2.gz GVPCLLCYLKJGTI-HNNXBMFYSA-N 2 0 290.411 1.299 10 0 CDAERP CC(C)[N@H+](C)C[C@@H](O)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000386674572 482525412 /nfs/dbraw/zinc/52/54/12/482525412.db2.gz IJMZTFGZFBTJAE-QGZVFWFLSA-N 2 0 297.487 1.495 10 0 CDAERP C[C@H]([NH3+])CNC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000669517775 482542852 /nfs/dbraw/zinc/54/28/52/482542852.db2.gz SRKSHUGRTXHGQU-LBPRGKRZSA-N 2 0 275.396 1.306 10 0 CDAERP C[NH+](C)[C@@H]1CCCN(C(=O)C2CCC([NH3+])CC2)C1 ZINC000091394744 482563675 /nfs/dbraw/zinc/56/36/75/482563675.db2.gz RXQHLFWNOAPVHA-WXRRBKDZSA-N 2 0 253.390 1.057 10 0 CDAERP C[NH+](C)Cc1cc(CNC(=O)C2([NH3+])CCCC2)ccc1F ZINC000237047449 482635779 /nfs/dbraw/zinc/63/57/79/482635779.db2.gz FRYRENUWHZIBLX-UHFFFAOYSA-N 2 0 293.386 1.775 10 0 CDAERP C[N@@H+]1CCCN(c2nc(N)nc3c2CCCC3)CC1 ZINC000257765221 482751355 /nfs/dbraw/zinc/75/13/55/482751355.db2.gz ZHXIHTOZGZGWED-UHFFFAOYSA-N 2 0 261.373 1.080 10 0 CDAERP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000681260796 482774714 /nfs/dbraw/zinc/77/47/14/482774714.db2.gz CCXBRFMEVXASKC-NEPJUHHUSA-N 2 0 255.406 1.364 10 0 CDAERP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000681260799 482775358 /nfs/dbraw/zinc/77/53/58/482775358.db2.gz CCXBRFMEVXASKC-VXGBXAGGSA-N 2 0 255.406 1.364 10 0 CDAERP C[C@H]([NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)C1CC[NH+](C)CC1 ZINC000671302259 482968836 /nfs/dbraw/zinc/96/88/36/482968836.db2.gz MRTSLYRDBZBEIM-NWANDNLSSA-N 2 0 286.460 1.464 10 0 CDAERP O=C(C[C@@H]1CCC[NH2+]C1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251521202 483048028 /nfs/dbraw/zinc/04/80/28/483048028.db2.gz WVPXWODNWMFSPF-IHRRRGAJSA-N 2 0 265.401 1.119 10 0 CDAERP CC(C)[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1CC1 ZINC000667014004 483052814 /nfs/dbraw/zinc/05/28/14/483052814.db2.gz LRIBIZRJLYQEPW-HNNXBMFYSA-N 2 0 298.475 1.556 10 0 CDAERP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C1CCC([NH3+])CC1 ZINC000251583921 483056878 /nfs/dbraw/zinc/05/68/78/483056878.db2.gz CMJMYEUHXPNSDZ-PPWQZUPISA-N 2 0 279.428 1.589 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089459658 483085883 /nfs/dbraw/zinc/08/58/83/483085883.db2.gz IDBSQDHJKMZFHM-GXTWGEPZSA-N 2 0 267.417 1.352 10 0 CDAERP CO[C@H]1C[C@@H]([N@H+](C)Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668140939 483087322 /nfs/dbraw/zinc/08/73/22/483087322.db2.gz PTGNLDURRBRRJW-GASCZTMLSA-N 2 0 272.352 1.877 10 0 CDAERP C[NH+]1CCC(CCNC(=O)C2CCC([NH3+])CC2)CC1 ZINC000157221011 483237121 /nfs/dbraw/zinc/23/71/21/483237121.db2.gz QXUHNMJQTLIJLF-UHFFFAOYSA-N 2 0 267.417 1.352 10 0 CDAERP CCN(CCC[NH+](CC)CC)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000682658028 483319232 /nfs/dbraw/zinc/31/92/32/483319232.db2.gz ISDBBJVQDXWNFN-OAHLLOKOSA-N 2 0 298.475 1.844 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000136317029 483389572 /nfs/dbraw/zinc/38/95/72/483389572.db2.gz MWVOSMJMDZSMIA-CHWSQXEVSA-N 2 0 255.406 1.350 10 0 CDAERP CC(C)[NH2+][C@@](C)(C[C@H](C)N(C)[C@@H]1CCC[N@H+](C)C1)C(N)=O ZINC000068642456 519736531 /nfs/dbraw/zinc/73/65/31/519736531.db2.gz XUFMOIBHZKALJO-LZWOXQAQSA-N 2 0 298.475 1.033 10 0 CDAERP CC(C)[C@@H]1CC[C@@H]([NH3+])[C@H](C[N@H+](CCO)C2CC2)C1 ZINC000054560555 519803450 /nfs/dbraw/zinc/80/34/50/519803450.db2.gz BARLKGLLGDNSOP-VNHYZAJKSA-N 2 0 254.418 1.843 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@@H](C[N@@H+]2CCCSCC2)O1 ZINC000052371152 519937792 /nfs/dbraw/zinc/93/77/92/519937792.db2.gz HOJFVJZZWZJGKL-KGLIPLIRSA-N 2 0 272.458 1.973 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000061267221 519963635 /nfs/dbraw/zinc/96/36/35/519963635.db2.gz ITORSEPEPYFUHY-QWHCGFSZSA-N 2 0 257.422 1.325 10 0 CDAERP CC[NH2+][C@@H]1CCCC[C@@H]1CN1CC[NH+](CC)CC1 ZINC000060720658 520116048 /nfs/dbraw/zinc/11/60/48/520116048.db2.gz MGMOTFXKOXEOEF-HUUCEWRRSA-N 2 0 253.434 1.792 10 0 CDAERP CC[NH2+][C@H]1CCC[C@H]1CN1CC[NH+](C2CC2)CC1 ZINC000053880472 520215456 /nfs/dbraw/zinc/21/54/56/520215456.db2.gz QHSSQEPFOHRSSW-ZFWWWQNUSA-N 2 0 251.418 1.545 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@H]1[C@H](C)CCC[C@@H]1[NH3+] ZINC000055123421 520617618 /nfs/dbraw/zinc/61/76/18/520617618.db2.gz FHGBOCBTECYDHJ-RDBSUJKOSA-N 2 0 269.433 1.598 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)C1CCC(C[NH3+])CC1 ZINC000055162683 520713329 /nfs/dbraw/zinc/71/33/29/520713329.db2.gz KZAGCMTWTFZOFL-IYXRBSQSSA-N 2 0 269.433 1.598 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]CC[C@@H](C)F)C1 ZINC001485706720 1161281069 /nfs/dbraw/zinc/28/10/69/1161281069.db2.gz NNMYSZIATQSSRX-MGPQQGTHSA-N 2 0 287.423 1.559 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)[C@H]1CC[NH+](CC=C(C)C)C1 ZINC001715034118 1179520560 /nfs/dbraw/zinc/52/05/60/1179520560.db2.gz ZCEPTAJPTUZRBQ-HNNXBMFYSA-N 2 0 281.444 1.827 10 0 CDAERP CC(C)(C)[NH+]1CCN(Cc2ccc(C[NH3+])o2)CC1 ZINC000052571628 518714231 /nfs/dbraw/zinc/71/42/31/518714231.db2.gz FLSIEBKVCBVDQU-UHFFFAOYSA-N 2 0 251.374 1.654 10 0 CDAERP CC(C)[NH+]1CCN(C(=O)[C@H]2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000055147738 519680589 /nfs/dbraw/zinc/68/05/89/519680589.db2.gz QRNZZBYNBMSKHX-GJZGRUSLSA-N 2 0 281.444 1.694 10 0 CDAERP CC(C)[NH2+][C@@](C)(CCCN1CCC[C@@H]1C[NH+](C)C)C(N)=O ZINC000061652883 519735812 /nfs/dbraw/zinc/73/58/12/519735812.db2.gz FMYJYGPQKNTNBI-ZBFHGGJFSA-N 2 0 298.475 1.035 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CC[C@H](C[NH+]2CCSCC2)O1 ZINC000052443296 519745133 /nfs/dbraw/zinc/74/51/33/519745133.db2.gz OBYLZYFYFRFZCW-UONOGXRCSA-N 2 0 272.458 1.828 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)CC1CCC([NH3+])CC1 ZINC000055138062 519775280 /nfs/dbraw/zinc/77/52/80/519775280.db2.gz IKNJBXYDJVKUSK-NRXISQOPSA-N 2 0 283.460 1.987 10 0 CDAERP CC(C)[C@@H]1CC[C@@H]([NH3+])[C@H](N2CCN(CC[NH+](C)C)CC2)C1 ZINC000061643803 519803420 /nfs/dbraw/zinc/80/34/20/519803420.db2.gz XBQZAGSVBSMYPL-BRWVUGGUSA-N 2 0 296.503 1.318 10 0 CDAERP CCC[NH+]1CCN(C(=O)[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000061610952 519856589 /nfs/dbraw/zinc/85/65/89/519856589.db2.gz LPYKPXOYTDYFGG-HNNXBMFYSA-N 2 0 275.396 1.283 10 0 CDAERP CCC[NH+]1CCN(C[C@@H]2CC[C@H](C[NH2+]CC)O2)CC1 ZINC000052422014 519858779 /nfs/dbraw/zinc/85/87/79/519858779.db2.gz GQXAXDBHDSSDLD-CABCVRRESA-N 2 0 269.433 1.171 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000061291845 519905999 /nfs/dbraw/zinc/90/59/99/519905999.db2.gz ZTHYANDGGZZEJU-HNNXBMFYSA-N 2 0 289.423 1.765 10 0 CDAERP CC[NH2+]CC1(C[N@H+](C)C[C@H]2CCCCO2)CCOCC1 ZINC000052182381 519911631 /nfs/dbraw/zinc/91/16/31/519911631.db2.gz BYIJGFXNAKUBNN-OAHLLOKOSA-N 2 0 284.444 1.894 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)CCc2ccncc2)O1 ZINC000052483146 519950475 /nfs/dbraw/zinc/95/04/75/519950475.db2.gz ZCGPHWMXCJYVNH-HOTGVXAUSA-N 2 0 277.412 1.713 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)NCCCC[N@H+](C)C(C)C ZINC000061268078 519961596 /nfs/dbraw/zinc/96/15/96/519961596.db2.gz OUHUGTGIRTVEQM-ZDUSSCGKSA-N 2 0 257.422 1.469 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)NCCC[NH+]1CCCCC1 ZINC000061229010 519962356 /nfs/dbraw/zinc/96/23/56/519962356.db2.gz SWTJTVSXPLRDRF-ZDUSSCGKSA-N 2 0 255.406 1.224 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)N[C@H](C)CCC[NH+](CC)CC ZINC000061227649 519964812 /nfs/dbraw/zinc/96/48/12/519964812.db2.gz MPQGZSXKKIHLNS-UONOGXRCSA-N 2 0 271.449 1.859 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000061267076 519965180 /nfs/dbraw/zinc/96/51/80/519965180.db2.gz GXMXOEWTGGPPOI-DZGCQCFKSA-N 2 0 277.412 1.651 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000061272675 520061875 /nfs/dbraw/zinc/06/18/75/520061875.db2.gz LZXRZGBJZQPEQJ-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CC[NH2+][C@@H]1CCCC[C@H]1CN1CCN(CC[NH+](C)C)CC1 ZINC000061653818 520116349 /nfs/dbraw/zinc/11/63/49/520116349.db2.gz PMSKRKNGMNDHDO-DLBZAZTESA-N 2 0 296.503 1.334 10 0 CDAERP CC[NH2+][C@H](C)[C@@H]1CCC[N@H+](CCCC(=O)NC)C1 ZINC000068815674 520175700 /nfs/dbraw/zinc/17/57/00/520175700.db2.gz JLUHYOUTPLNFBN-CHWSQXEVSA-N 2 0 255.406 1.223 10 0 CDAERP CC[NH2+][C@H]1CCC[C@@H]1N1CC[NH+](CC(C)C)CC1 ZINC000055079336 520215826 /nfs/dbraw/zinc/21/58/26/520215826.db2.gz SYLUOEIXNRLDGF-GJZGRUSLSA-N 2 0 253.434 1.791 10 0 CDAERP CCO[C@H]1CCC[N@H+](CC2(C[NH2+]C)CCOCC2)C1 ZINC000052198151 520526581 /nfs/dbraw/zinc/52/65/81/520526581.db2.gz JRMVYYCIYZSCHG-AWEZNQCLSA-N 2 0 270.417 1.504 10 0 CDAERP CCC[C@@H](C)NC(=O)CN1CC[NH+](CCCCC[NH3+])CC1 ZINC000049287679 520655507 /nfs/dbraw/zinc/65/55/07/520655507.db2.gz QRDPMSAHARPDHR-OAHLLOKOSA-N 2 0 298.475 1.038 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)COc1ccc(C[NH3+])cc1 ZINC000045663168 520715833 /nfs/dbraw/zinc/71/58/33/520715833.db2.gz LZVJSTUOHSIBGL-CYBMUJFWSA-N 2 0 293.411 1.371 10 0 CDAERP CCC[C@@H]1CC[C@H](O)[C@H]([NH+]2CCN(CC[NH+](C)C)CC2)C1 ZINC000061652695 520828878 /nfs/dbraw/zinc/82/88/78/520828878.db2.gz CXNSPQXYRFDWRO-ZACQAIPSSA-N 2 0 297.487 1.495 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@H]1CCC[C@@H](C[NH3+])C1 ZINC000055162765 521655710 /nfs/dbraw/zinc/65/57/10/521655710.db2.gz AZUPACCRLHIKOI-KGLIPLIRSA-N 2 0 269.433 1.552 10 0 CDAERP CC[N@@H+]1CCN([C@@H]2C[NH2+]Cc3ccccc32)C[C@@H]1C ZINC000069267565 521693544 /nfs/dbraw/zinc/69/35/44/521693544.db2.gz DMPIHBJOGLAEGF-XJKSGUPXSA-N 2 0 259.397 1.857 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)c2c[nH+]c(NN)c(Cl)c2)C1 ZINC000051091211 521717129 /nfs/dbraw/zinc/71/71/29/521717129.db2.gz ZWYPGPGSVFHSMX-SECBINFHSA-N 2 0 297.790 1.092 10 0 CDAERP C[NH+](C)CCOCc1cc(C[NH2+]C(C)(C)C)no1 ZINC000052669647 521795756 /nfs/dbraw/zinc/79/57/56/521795756.db2.gz JNVDCZJNGPAXLP-UHFFFAOYSA-N 2 0 255.362 1.641 10 0 CDAERP COCC[C@@H]([NH3+])CN1CC[NH+](Cc2ccccc2)CC1 ZINC000052810541 521831469 /nfs/dbraw/zinc/83/14/69/521831469.db2.gz GVYWZLPXUWMMHE-MRXNPFEDSA-N 2 0 277.412 1.168 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1c1ccc(C(N)=[NH2+])cc1F ZINC000061644628 521874210 /nfs/dbraw/zinc/87/42/10/521874210.db2.gz FQTUBKYHYVWNFS-LLVKDONJSA-N 2 0 264.348 1.640 10 0 CDAERP C[NH2+]Cc1cc(CN(C)CC[NH+]2CCCC2)oc1C ZINC000063054006 522104805 /nfs/dbraw/zinc/10/48/05/522104805.db2.gz CLNWRDQGHWFHFZ-UHFFFAOYSA-N 2 0 265.401 1.835 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(CC[NH2+][C@@H](C)[C@@H]2CCCO2)CC1 ZINC000055075436 522121232 /nfs/dbraw/zinc/12/12/32/522121232.db2.gz AULOYGHAGVFAGC-PMPSAXMXSA-N 2 0 283.460 1.560 10 0 CDAERP C[NH2+]Cc1ccccc1C[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061654868 522137664 /nfs/dbraw/zinc/13/76/64/522137664.db2.gz QOLDVTGXNJMBGR-UHFFFAOYSA-N 3 0 290.455 1.085 10 0 CDAERP C[NH2+]Cc1ccoc1C[N@H+](CCCOC)CCOC ZINC000052543229 522139395 /nfs/dbraw/zinc/13/93/95/522139395.db2.gz UTBGVTOAQCAENC-UHFFFAOYSA-N 2 0 270.373 1.484 10 0 CDAERP C[NH2+]Cc1cn(CC[N@@H+]2CC[C@H](c3ccccc3)C2)nn1 ZINC000052373088 522143231 /nfs/dbraw/zinc/14/32/31/522143231.db2.gz NRWFITGMNYHXKV-HNNXBMFYSA-N 2 0 285.395 1.487 10 0 CDAERP C[NH2+]Cc1nc(CN2CC[NH+](CC(C)C)CC2)cs1 ZINC000055083058 522151533 /nfs/dbraw/zinc/15/15/33/522151533.db2.gz LOQWMZXGIBTMNB-UHFFFAOYSA-N 2 0 282.457 1.636 10 0 CDAERP CC[C@H]([NH3+])[C@H](c1cnn(C)c1)N1CC[NH+](CC(C)C)CC1 ZINC000055077032 522345464 /nfs/dbraw/zinc/34/54/64/522345464.db2.gz HUZIMTIJQOYLPP-HOTGVXAUSA-N 2 0 293.459 1.472 10 0 CDAERP CC[C@@H](CC[NH3+])N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000069289772 522497667 /nfs/dbraw/zinc/49/76/67/522497667.db2.gz UQYHIAYPBQKNDK-AWEZNQCLSA-N 2 0 269.433 1.301 10 0 CDAERP Cn1cc(C[N@H+](C)CCC[C@H]2CCCC[NH2+]2)cn1 ZINC000050953329 522788521 /nfs/dbraw/zinc/78/85/21/522788521.db2.gz TUMZORMZGXAFMN-CQSZACIVSA-N 2 0 250.390 1.774 10 0 CDAERP CC[C@H]1CC[C@@H](C[NH3+])[C@H]([NH+]2CCN(CC[NH+](C)C)CC2)C1 ZINC000061642688 523187887 /nfs/dbraw/zinc/18/78/87/523187887.db2.gz LPJZUVMHGZMRNB-YESZJQIVSA-N 3 0 296.503 1.319 10 0 CDAERP C[N@H+](Cc1cccc(Cl)c1)CC1(O)CC[NH2+]CC1 ZINC000051016296 523302028 /nfs/dbraw/zinc/30/20/28/523302028.db2.gz LLODBJPGQKLFKH-UHFFFAOYSA-N 2 0 268.788 1.886 10 0 CDAERP CC[C@@]1(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC[NH2+]C1 ZINC000062899757 523694108 /nfs/dbraw/zinc/69/41/08/523694108.db2.gz VXJPNFFZETWVFJ-SWLSCSKDSA-N 2 0 295.452 1.857 10 0 CDAERP C[NH+]1CCC(CNC(=O)CC2CCC([NH3+])CC2)CC1 ZINC000055140180 523760953 /nfs/dbraw/zinc/76/09/53/523760953.db2.gz DQZQCTOWBFIXPR-UHFFFAOYSA-N 2 0 267.417 1.352 10 0 CDAERP C[NH+]1CCC(CNC(=O)[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000234309621 523763416 /nfs/dbraw/zinc/76/34/16/523763416.db2.gz XZCAWUFCTIQMRI-CYBMUJFWSA-N 2 0 267.417 1.223 10 0 CDAERP CC[C@H](C)[NH+]1CCN([C@@H]2COc3ccccc3[C@@H]2[NH3+])CC1 ZINC000055065285 523958532 /nfs/dbraw/zinc/95/85/32/523958532.db2.gz IDJNMCZZXMZFKX-LXZKKBNFSA-N 2 0 289.423 1.864 10 0 CDAERP C[C@H]1CCC[C@@H]([N@H+](C)CCn2cc(C[NH3+])nn2)C1 ZINC000052513845 524142422 /nfs/dbraw/zinc/14/24/22/524142422.db2.gz ASUGNTSFONEILD-WCQYABFASA-N 2 0 251.378 1.247 10 0 CDAERP C[C@H]1CCC[C@@H]([NH2+]CCN2CCN(CC[NH+](C)C)CC2)C1 ZINC000061655365 524151163 /nfs/dbraw/zinc/15/11/63/524151163.db2.gz UOFXNVYCWAADRR-DLBZAZTESA-N 2 0 296.503 1.334 10 0 CDAERP C[C@@H]1CCC[C@H](C(=O)N2CC[NH+](C(C)(C)C)CC2)[C@@H]1[NH3+] ZINC000055141083 524344657 /nfs/dbraw/zinc/34/46/57/524344657.db2.gz CNGWCVXBHCGJCI-HZSPNIEDSA-N 2 0 281.444 1.693 10 0 CDAERP C[C@@H](C[NH+]1CCCC1)NC(=O)[C@H]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000055140742 524590414 /nfs/dbraw/zinc/59/04/14/524590414.db2.gz NMDJVOQRFVQOND-FQUUOJAGSA-N 2 0 267.417 1.350 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCCC[C@@H]1[NH3+])[NH+]1CCCCC1 ZINC000055089014 524696411 /nfs/dbraw/zinc/69/64/11/524696411.db2.gz BFNPPOJQYHSIMG-MJBXVCDLSA-N 2 0 267.417 1.495 10 0 CDAERP COc1ccccc1[C@H](C[NH3+])N1CC[C@H]([NH+](C)C)C1 ZINC000062963950 524791783 /nfs/dbraw/zinc/79/17/83/524791783.db2.gz KKMYCSRMEXSPNG-JSGCOSHPSA-N 2 0 263.385 1.331 10 0 CDAERP C[C@H]([NH3+])[C@@H](N1CC[C@H]([NH+]2CCCC2)C1)C(C)(C)C ZINC000062977559 524835509 /nfs/dbraw/zinc/83/55/09/524835509.db2.gz FJAQVKGSKQOKNP-MELADBBJSA-N 2 0 253.434 1.918 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H](CC(=O)NCC[NH+]2CCCCC2)C1 ZINC000055138395 527349751 /nfs/dbraw/zinc/34/97/51/527349751.db2.gz BZYMKASQCQNIHL-ZIAGYGMSSA-N 2 0 267.417 1.496 10 0 CDAERP Cn1ccnc1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000339499126 527436480 /nfs/dbraw/zinc/43/64/80/527436480.db2.gz CDHUJLDBLHCVDZ-UHFFFAOYSA-N 2 0 250.390 1.776 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000261766917 535351774 /nfs/dbraw/zinc/35/17/74/535351774.db2.gz OBZAIVDJVAQOAT-LSDHHAIUSA-N 2 0 281.444 1.742 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000417746955 535448662 /nfs/dbraw/zinc/44/86/62/535448662.db2.gz IANNBPYPSJZTDV-HNNXBMFYSA-N 2 0 296.459 1.407 10 0 CDAERP CN(CC[NH+]1CCCC1)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418459524 536369820 /nfs/dbraw/zinc/36/98/20/536369820.db2.gz YNXBYYLGJUJOBD-HNNXBMFYSA-N 2 0 290.411 1.424 10 0 CDAERP O[C@@H]1CCC[C@H]1[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062033271 538148068 /nfs/dbraw/zinc/14/80/68/538148068.db2.gz LVDGUOJZRLLJGA-HUUCEWRRSA-N 2 0 252.402 1.708 10 0 CDAERP C(CC[NH+]1CCOCC1)C[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000348076490 538172581 /nfs/dbraw/zinc/17/25/81/538172581.db2.gz DKBPQWZGYPWMGU-CABCVRRESA-N 2 0 252.402 1.877 10 0 CDAERP COCC[NH+](CCOC)Cc1cccc2c1CC[NH2+]C2 ZINC000123919130 574422162 /nfs/dbraw/zinc/42/21/62/574422162.db2.gz AISLXOFIFSWUPB-UHFFFAOYSA-N 2 0 278.396 1.427 10 0 CDAERP c1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)co1 ZINC000768304140 576269926 /nfs/dbraw/zinc/26/99/26/576269926.db2.gz SQGYNWGSXHTWBP-UHFFFAOYSA-N 2 0 264.369 1.824 10 0 CDAERP CC[NH+]1CCC2(C[NH2+]C[C@@H]2C(=O)OC(C)(C)C)CC1 ZINC000757183301 577034322 /nfs/dbraw/zinc/03/43/22/577034322.db2.gz AXGUKVVMKYWZPP-GFCCVEGCSA-N 2 0 268.401 1.650 10 0 CDAERP O[C@H](C[NH+]1CCCC1)C[NH+]1CCC(C2CCOCC2)CC1 ZINC000752148759 577090569 /nfs/dbraw/zinc/09/05/69/577090569.db2.gz YPGRXPXUAMJGFS-QGZVFWFLSA-N 2 0 296.455 1.582 10 0 CDAERP CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCCC[NH+](C)C ZINC001689108857 1175098244 /nfs/dbraw/zinc/09/82/44/1175098244.db2.gz SZDRDPRNQVBFHK-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@@H](C(=O)NCCC[N@H+](C)CC1CC(C)C1)[NH+](C)C ZINC001689840489 1175283032 /nfs/dbraw/zinc/28/30/32/1175283032.db2.gz ALUQPZLBLIVOGI-NRXISQOPSA-N 2 0 283.460 1.811 10 0 CDAERP COCCCN(C)CC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925516404 617425834 /nfs/dbraw/zinc/42/58/34/617425834.db2.gz KYIAOZHJRBGDSI-KBPBESRZSA-N 2 0 271.449 1.450 10 0 CDAERP CC(C)[C@H](C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)N1CCOCC1 ZINC000925516856 617426889 /nfs/dbraw/zinc/42/68/89/617426889.db2.gz JQIHBGKKWKBYLA-JYJNAYRXSA-N 2 0 297.487 1.839 10 0 CDAERP C[N@@H+]1CC[C@](O)(CN[C@H]2CCCc3c(Cl)ccnc32)C1 ZINC000926172649 617442201 /nfs/dbraw/zinc/44/22/01/617442201.db2.gz FRFXUGNDMRPAHC-ZFWWWQNUSA-N 2 0 295.814 1.769 10 0 CDAERP C(C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)CO[C@H]1CCOC1 ZINC000925553260 617501689 /nfs/dbraw/zinc/50/16/89/617501689.db2.gz PYRVXRLWKDIJOM-YESZJQIVSA-N 2 0 296.455 1.940 10 0 CDAERP Cc1cc(NCC[NH+](C(C)C)C(C)C)nc(N)[nH+]1 ZINC000106133828 617512159 /nfs/dbraw/zinc/51/21/59/617512159.db2.gz NNAPYWMFLAVAAT-UHFFFAOYSA-N 2 0 251.378 1.898 10 0 CDAERP Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925580959 617529379 /nfs/dbraw/zinc/52/93/79/617529379.db2.gz PDHKEMJAHNXHGX-CHWSQXEVSA-N 2 0 291.395 1.567 10 0 CDAERP Cc1ccoc1C(=O)NCCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925580970 617529450 /nfs/dbraw/zinc/52/94/50/617529450.db2.gz PDHKEMJAHNXHGX-STQMWFEESA-N 2 0 291.395 1.567 10 0 CDAERP COCC[C@](C)(O)C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925611357 617555629 /nfs/dbraw/zinc/55/56/29/617555629.db2.gz LOJUNSXGBRRINT-SCRDCRAPSA-N 2 0 258.406 1.270 10 0 CDAERP CC1(C)[C@@H]([NH2+]C[C@@H](O)C2CCOCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925617257 617562695 /nfs/dbraw/zinc/56/26/95/617562695.db2.gz CBYHDCWSTXRMGK-KBXIAJHMSA-N 2 0 282.428 1.140 10 0 CDAERP CC(C)CC[C@](C)(O)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925624604 617571529 /nfs/dbraw/zinc/57/15/29/617571529.db2.gz YMWMMBFXCSGUGO-AYYATWNNSA-N 2 0 266.429 1.760 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000925785641 617708159 /nfs/dbraw/zinc/70/81/59/617708159.db2.gz LSINIMCKSZRJKR-NIFZNCRKSA-N 2 0 252.402 1.637 10 0 CDAERP COCC1CCC([NH2+]CCN2CCC([NH3+])CC2)CC1 ZINC000925816845 617772695 /nfs/dbraw/zinc/77/26/95/617772695.db2.gz JZXRUGHULFEAJR-UHFFFAOYSA-N 2 0 269.433 1.204 10 0 CDAERP Cc1cc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)nn1C ZINC000925830518 617849383 /nfs/dbraw/zinc/84/93/83/617849383.db2.gz AOPZHLJIWBWEAC-OAGGEKHMSA-N 2 0 276.428 1.781 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCCN1CC(F)(F)F ZINC000925835149 617864450 /nfs/dbraw/zinc/86/44/50/617864450.db2.gz MVQCAIMBVLIHHO-RYUDHWBXSA-N 2 0 297.365 1.357 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H](O)c1ccccc1C ZINC000817889188 618483811 /nfs/dbraw/zinc/48/38/11/618483811.db2.gz NQMGHCJRCQVTTO-ZFWWWQNUSA-N 2 0 266.385 1.372 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](O)c1cccc(C)c1 ZINC000817909976 618487098 /nfs/dbraw/zinc/48/70/98/618487098.db2.gz FUMXTDRIRBWWMJ-LSDHHAIUSA-N 2 0 266.385 1.372 10 0 CDAERP C[N@@H+]1CC[C@H]1CNC(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000928550950 619348525 /nfs/dbraw/zinc/34/85/25/619348525.db2.gz JRMHVVNQMADHON-AWEZNQCLSA-N 2 0 286.379 1.725 10 0 CDAERP CC(C)[C@H]1COCC[C@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000925118955 619378533 /nfs/dbraw/zinc/37/85/33/619378533.db2.gz VOTUVTDHPMXPCV-ZIAGYGMSSA-N 2 0 270.417 1.094 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCN2C(C)(C)C)C1 ZINC000895833649 619867827 /nfs/dbraw/zinc/86/78/27/619867827.db2.gz BUEXOHVFQKTYKA-NEPJUHHUSA-N 2 0 253.390 1.070 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000925240322 620609004 /nfs/dbraw/zinc/60/90/04/620609004.db2.gz IOILESLYFWUFTG-JWMHWRSXSA-N 2 0 284.444 1.890 10 0 CDAERP Cn1nccc1[C@H](O)C[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000927132469 621746593 /nfs/dbraw/zinc/74/65/93/621746593.db2.gz VKHSDYRDSSJTPD-KCQAQPDRSA-N 2 0 278.400 1.060 10 0 CDAERP C[NH+](C)[C@@H]1C[C@H](NC(=O)CCCn2ccnc2)C12CCC2 ZINC000898838314 621887605 /nfs/dbraw/zinc/88/76/05/621887605.db2.gz FAORVTJWDPRWBK-UONOGXRCSA-N 2 0 290.411 1.652 10 0 CDAERP C[C@@H](NC(=[NH2+])NC[C@H](C)C[NH+]1CCCC1)C1CC1 ZINC000899265015 622129223 /nfs/dbraw/zinc/12/92/23/622129223.db2.gz QHHJVLDWQLTPPN-NWDGAFQWSA-N 2 0 252.406 1.631 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C12CC[NH+](CC1)C2 ZINC000900705861 623387481 /nfs/dbraw/zinc/38/74/81/623387481.db2.gz MZJNZQXZLBOHSC-CQSZACIVSA-N 2 0 279.428 1.463 10 0 CDAERP O=C(N1CCC[N@@H+](C2CCCC2)CC1)C12CC[NH+](CC1)C2 ZINC000900783702 623476312 /nfs/dbraw/zinc/47/63/12/623476312.db2.gz VYJFUPLJHCHOQN-UHFFFAOYSA-N 2 0 291.439 1.559 10 0 CDAERP C1CC1[N@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1CCCOC1)C2 ZINC000903094529 625848831 /nfs/dbraw/zinc/84/88/31/625848831.db2.gz ZWAPQCFLJPVDPP-IKKMQULASA-N 2 0 250.386 1.913 10 0 CDAERP COc1ccc([C@H](CO)[N@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000903437144 625991801 /nfs/dbraw/zinc/99/18/01/625991801.db2.gz FVWIZPZQRFZVDJ-INWMFGNUSA-N 2 0 278.396 1.516 10 0 CDAERP COC(=O)[C@H](C)[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1 ZINC000903458681 625994289 /nfs/dbraw/zinc/99/42/89/625994289.db2.gz GXBVMRXQXKFBHU-LUYZLQTOSA-N 2 0 290.407 1.982 10 0 CDAERP Cc1cnc(N2CC[NH+](C[C@@H]3CC[C@H]([NH3+])C3)CC2)s1 ZINC000903443488 625997512 /nfs/dbraw/zinc/99/75/12/625997512.db2.gz DPBNBIRWQAAHDY-OLZOCXBDSA-N 2 0 280.441 1.701 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000903444265 625998225 /nfs/dbraw/zinc/99/82/25/625998225.db2.gz RJYSUJUFBKNKCB-ILXRZTDVSA-N 2 0 251.418 1.260 10 0 CDAERP Cc1nnc([C@@H]2CCC[N@@H+](C[C@@H]3C[NH2+]C[C@H]3C)C2)[nH]1 ZINC000903445559 625998922 /nfs/dbraw/zinc/99/89/22/625998922.db2.gz LYPAPKOCMOQVAI-RTXFEEFZSA-N 2 0 263.389 1.148 10 0 CDAERP COC[C@H](C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1)C(C)C ZINC000903473962 626004571 /nfs/dbraw/zinc/00/45/71/626004571.db2.gz CPOSWBOGVMLTDK-DLBZAZTESA-N 2 0 298.471 1.996 10 0 CDAERP [NH3+]C[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC[C@H]1C(F)(F)F ZINC000903473851 626004718 /nfs/dbraw/zinc/00/47/18/626004718.db2.gz AODNSOWNUDXVLJ-NOOOWODRSA-N 3 0 279.350 1.573 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCc1ccccc1)C2 ZINC000903491857 626010850 /nfs/dbraw/zinc/01/08/50/626010850.db2.gz DCCXAIVBNOZJGW-UXLLHSPISA-N 2 0 288.391 1.441 10 0 CDAERP CC[NH+](CC)CCCN1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903541732 626016160 /nfs/dbraw/zinc/01/61/60/626016160.db2.gz WTOLOQILDNUCAP-NWDGAFQWSA-N 2 0 281.366 1.930 10 0 CDAERP C[C@]1(C2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)COC(=O)N1 ZINC000903563719 626020417 /nfs/dbraw/zinc/02/04/17/626020417.db2.gz KEZNUQIRRKJJQQ-IUODEOHRSA-N 2 0 281.400 1.197 10 0 CDAERP C([C@@H]1CCOC1)[N@H+](C[C@@H]1CCCC[NH2+]C1)C1CC1 ZINC000903724704 626065335 /nfs/dbraw/zinc/06/53/35/626065335.db2.gz QLIUOZPDMMJPFS-KGLIPLIRSA-N 2 0 252.402 1.877 10 0 CDAERP CCC[N@H+](C[C@@H](C[NH3+])Cc1cnn(C)c1C)CC1CC1 ZINC000903873801 626128006 /nfs/dbraw/zinc/12/80/06/626128006.db2.gz MEJDXFNJOAIBDB-OAHLLOKOSA-N 2 0 278.444 1.968 10 0 CDAERP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903873915 626128047 /nfs/dbraw/zinc/12/80/47/626128047.db2.gz OCJHWEMNNJPVNW-QBMZJCKTSA-N 2 0 263.429 1.861 10 0 CDAERP CSC[C@H]1CCC[N@@H+]1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903897283 626137186 /nfs/dbraw/zinc/13/71/86/626137186.db2.gz GSMWYTDWVKAFNL-QWHCGFSZSA-N 2 0 295.456 1.530 10 0 CDAERP CC[C@H]1CC[N@H+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903900148 626137965 /nfs/dbraw/zinc/13/79/65/626137965.db2.gz ZSJJDUWGIPXAJV-UONOGXRCSA-N 2 0 264.417 1.578 10 0 CDAERP COC(=O)[C@H]1CCCCC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903902494 626139571 /nfs/dbraw/zinc/13/95/71/626139571.db2.gz HSQHZYHSTSHTEQ-JALIKCBVSA-N 2 0 280.412 1.935 10 0 CDAERP C[N@H+](Cc1cccc2c1CC[NH2+]C2)CC1(CO)CC1 ZINC000903903244 626139622 /nfs/dbraw/zinc/13/96/22/626139622.db2.gz HKVFSXHWTZIMKK-UHFFFAOYSA-N 2 0 260.381 1.537 10 0 CDAERP C[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCOCC1 ZINC000903920275 626146780 /nfs/dbraw/zinc/14/67/80/626146780.db2.gz HZHSNNZTCSPTBI-IKKMQULASA-N 2 0 252.402 1.922 10 0 CDAERP C[C@@]1([NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC=CCC1 ZINC000903929938 626150278 /nfs/dbraw/zinc/15/02/78/626150278.db2.gz ONJIRVWXLKFPKY-UKRRQHHQSA-N 2 0 275.400 1.791 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CC(C)(C)C[C@H]2C)cnn1C ZINC000903930204 626151136 /nfs/dbraw/zinc/15/11/36/626151136.db2.gz UVAKLWIRWFUNFO-OCCSQVGLSA-N 2 0 278.444 1.966 10 0 CDAERP Cn1c(=O)ccc2c1CCC[C@H]2[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903932598 626152401 /nfs/dbraw/zinc/15/24/01/626152401.db2.gz SPMVLJZMRWWZEL-GXSJLCMTSA-N 2 0 285.338 1.335 10 0 CDAERP C[NH+](C)CCC[C@@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000903933325 626153011 /nfs/dbraw/zinc/15/30/11/626153011.db2.gz OYWHHENONRUGRE-NPYXIHBLSA-N 3 0 295.471 1.560 10 0 CDAERP COC[C@@H]([NH2+]CC1CC[NH2+]CC1)[C@@H]1CCCOC1 ZINC000903959704 626159824 /nfs/dbraw/zinc/15/98/24/626159824.db2.gz MOUZFVCKNDUXDM-ZIAGYGMSSA-N 2 0 256.390 1.017 10 0 CDAERP CCC1([NH3+])CC[NH+](Cc2ccccc2-n2cncn2)CC1 ZINC000903947506 626163910 /nfs/dbraw/zinc/16/39/10/626163910.db2.gz YGZYUAFTVIIKDB-UHFFFAOYSA-N 2 0 285.395 1.971 10 0 CDAERP CCC1([NH+]2CCC2)CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000903954054 626166148 /nfs/dbraw/zinc/16/61/48/626166148.db2.gz PAKRUXGVNCKDQQ-UHFFFAOYSA-N 2 0 263.429 1.689 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1sccc1C)C2 ZINC000903979118 626170228 /nfs/dbraw/zinc/17/02/28/626170228.db2.gz WBYHPNKTLKGHRM-ZOWXZIJZSA-N 2 0 294.420 1.769 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903983890 626173450 /nfs/dbraw/zinc/17/34/50/626173450.db2.gz NCYAXXLHGBFGGM-AXFHLTTASA-N 2 0 267.339 1.571 10 0 CDAERP CC(C)(/C=C\Cl)[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903987414 626174873 /nfs/dbraw/zinc/17/48/73/626174873.db2.gz GDFCSKYYSFJTCR-GZTOBOFZSA-N 2 0 283.807 1.823 10 0 CDAERP C[C@H]1CCC[N@H+](CCNC(=[NH2+])NC[C@H]2CCCS2)C1 ZINC000905041604 626380984 /nfs/dbraw/zinc/38/09/84/626380984.db2.gz LEXWEBXXRKZLIX-QWHCGFSZSA-N 2 0 284.473 1.728 10 0 CDAERP CC[N@@H+]1CC[C@@H](CNC(=[NH2+])NC[C@@H]2CCCS2)C1 ZINC000905043874 626383077 /nfs/dbraw/zinc/38/30/77/626383077.db2.gz ZYUDJMMDRGGDEL-RYUDHWBXSA-N 2 0 270.446 1.338 10 0 CDAERP [NH3+]Cc1ccccc1-c1nc(C2([NH3+])CCCC2)no1 ZINC000905306267 626756850 /nfs/dbraw/zinc/75/68/50/626756850.db2.gz XEPKZLTWJOPKEK-UHFFFAOYSA-N 2 0 258.325 1.923 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC000908300931 628131882 /nfs/dbraw/zinc/13/18/82/628131882.db2.gz ARUVMQXSUFDOGV-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP CC[N@@H+]1CCCN(C(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000910265430 628937276 /nfs/dbraw/zinc/93/72/76/628937276.db2.gz DSMQBUPLZHSHAI-ZDUSSCGKSA-N 2 0 265.401 1.025 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000912049603 629755448 /nfs/dbraw/zinc/75/54/48/629755448.db2.gz NSCIFVSXFKUMLM-SOUVJXGZSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@H](C(=O)N1CC[C@H]([NH+]2CCC2)C1)[NH+]1CCCCCC1 ZINC000912915660 630284265 /nfs/dbraw/zinc/28/42/65/630284265.db2.gz IBVWJQPVLFJLGT-CABCVRRESA-N 2 0 279.428 1.558 10 0 CDAERP C[C@H](C(=O)N1CC[C@H]([NH+]2CCC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000912917904 630286726 /nfs/dbraw/zinc/28/67/26/630286726.db2.gz PSMJYAYJUMTUBT-BARDWOONSA-N 2 0 279.428 1.554 10 0 CDAERP C[C@@H](C(=O)NC12CC[NH+](CC1)C2)[NH+]1CCCCCC1 ZINC000913629687 630719385 /nfs/dbraw/zinc/71/93/85/630719385.db2.gz IWYHIWZLPMHRSS-ZDUSSCGKSA-N 2 0 265.401 1.215 10 0 CDAERP C[C@H]1[C@H](NC(=O)NCC2([NH+](C)C)CCCCC2)CC[N@@H+]1C ZINC000913868146 630855950 /nfs/dbraw/zinc/85/59/50/630855950.db2.gz YDPQTVFMPCPFNG-UONOGXRCSA-N 2 0 296.459 1.643 10 0 CDAERP C[C@H]1[C@@H](NC(=O)NC2CC[NH+](C3CC3)CC2)CC[N@@H+]1C ZINC000913981280 630933477 /nfs/dbraw/zinc/93/34/77/630933477.db2.gz JQSLDYCLGMWEME-FZMZJTMJSA-N 2 0 280.416 1.005 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CC[NH+](C)[C@H]2C)C1 ZINC000914336692 631358811 /nfs/dbraw/zinc/35/88/11/631358811.db2.gz CLWDNQNGXODSKP-BFHYXJOUSA-N 2 0 282.432 1.110 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)NCC2([NH+](C)C)CC2)CC1 ZINC000915679543 631796401 /nfs/dbraw/zinc/79/64/01/631796401.db2.gz YTVSVUXLVCKTGO-UHFFFAOYSA-N 2 0 296.459 1.502 10 0 CDAERP O=C1OCCN1CCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925478821 632743273 /nfs/dbraw/zinc/74/32/73/632743273.db2.gz QGDBALZMBRBBLA-GFCCVEGCSA-N 2 0 267.373 1.093 10 0 CDAERP C[C@H](CN[C@@H]1CC[NH2+]C12CCCC2)C[NH+]1CCCC1 ZINC000925479842 632763615 /nfs/dbraw/zinc/76/36/15/632763615.db2.gz KOAWYGDDFOGGIF-HUUCEWRRSA-N 2 0 265.445 1.983 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)N(C)CCC[NH+]2CCCC2)CC[N@@H+]1C ZINC000925337255 633004356 /nfs/dbraw/zinc/00/43/56/633004356.db2.gz ICXBCAJQFKIPTJ-KGLIPLIRSA-N 2 0 282.432 1.206 10 0 CDAERP CCC[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001691184405 1158949369 /nfs/dbraw/zinc/94/93/69/1158949369.db2.gz KQQHWZAPDDMAQD-JOCQHMNTSA-N 2 0 255.406 1.221 10 0 CDAERP CCC[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001266951765 1159009393 /nfs/dbraw/zinc/00/93/93/1159009393.db2.gz XOBVDVPYOBNDTR-GMTAPVOTSA-N 2 0 250.346 1.018 10 0 CDAERP CCC[NH2+]C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001699588696 1158458498 /nfs/dbraw/zinc/45/84/98/1158458498.db2.gz DYDSVGRJGPQNQH-JSGCOSHPSA-N 2 0 267.417 1.223 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]CCC2CC2)C2CC2)C1 ZINC001670557681 1158645909 /nfs/dbraw/zinc/64/59/09/1158645909.db2.gz WAFAUDNJYNQAAX-LSDHHAIUSA-N 2 0 279.428 1.223 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001670656716 1158676039 /nfs/dbraw/zinc/67/60/39/1158676039.db2.gz NEYQJMHBJRBFQL-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000251206945 1159781160 /nfs/dbraw/zinc/78/11/60/1159781160.db2.gz LPUDYFXVGZDQLP-KBXIAJHMSA-N 2 0 281.444 1.754 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C[NH2+]CCF)C2CC2)C1 ZINC001483584111 1160950733 /nfs/dbraw/zinc/95/07/33/1160950733.db2.gz VBOZGDVRUFSSLI-GJZGRUSLSA-N 2 0 299.434 1.562 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+]1CCC[C@H](C)C1 ZINC000468105595 1164338111 /nfs/dbraw/zinc/33/81/11/1164338111.db2.gz BMEKDSGWROGGTP-VGWMRTNUSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870906376 1165231028 /nfs/dbraw/zinc/23/10/28/1165231028.db2.gz LWIRSLAJYFRLAA-AGBNJFSLSA-N 2 0 277.412 1.118 10 0 CDAERP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000872299470 1165413322 /nfs/dbraw/zinc/41/33/22/1165413322.db2.gz KLVATSMDRPMXCX-QWHCGFSZSA-N 2 0 265.401 1.249 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH+]2CCCC2)C1 ZINC001623589895 1165780204 /nfs/dbraw/zinc/78/02/04/1165780204.db2.gz GYHNOBMBEANHPI-CQSZACIVSA-N 2 0 267.417 1.319 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC2=CC[N@H+](C)CC2)C1 ZINC001632710339 1166369687 /nfs/dbraw/zinc/36/96/87/1166369687.db2.gz OWEQIRHGLWLOGD-GJZGRUSLSA-N 2 0 279.428 1.485 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC001639801124 1166970771 /nfs/dbraw/zinc/97/07/71/1166970771.db2.gz BLSVBOPMNQQHBG-MCIONIFRSA-N 2 0 267.417 1.317 10 0 CDAERP C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@@H]2C1 ZINC001645818032 1167521508 /nfs/dbraw/zinc/52/15/08/1167521508.db2.gz TVQONZXMYCYCQD-SWLSCSKDSA-N 2 0 297.362 1.043 10 0 CDAERP CC[NH+](CC)CC[C@H](C)NC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC001647011860 1168347117 /nfs/dbraw/zinc/34/71/17/1168347117.db2.gz GUGVQVJPQZGJCJ-HOCLYGCPSA-N 2 0 299.459 1.070 10 0 CDAERP CCCC[NH2+][C@H](C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001567230591 1168632050 /nfs/dbraw/zinc/63/20/50/1168632050.db2.gz MHOLKDJQMRSJQW-ZIAGYGMSSA-N 2 0 269.433 1.613 10 0 CDAERP Cc1ccccc1C[NH2+]CCN(C)C(=O)CC[NH+](C)C ZINC001567555444 1168852080 /nfs/dbraw/zinc/85/20/80/1168852080.db2.gz NHWNAHYCPWGPBW-UHFFFAOYSA-N 2 0 277.412 1.495 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N2CCCC3(CC[NH2+]CC3)C2)C[NH2+]1 ZINC001649926293 1169503346 /nfs/dbraw/zinc/50/33/46/1169503346.db2.gz NMHJECFOIRSAKB-KGLIPLIRSA-N 2 0 294.443 1.302 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001569557290 1169922144 /nfs/dbraw/zinc/92/21/44/1169922144.db2.gz TYIHEOXVZLPXGE-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP CCOCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001571493597 1170453153 /nfs/dbraw/zinc/45/31/53/1170453153.db2.gz SRRKQOSGRPPSSU-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC001671251987 1171213905 /nfs/dbraw/zinc/21/39/05/1171213905.db2.gz QYGCNLRMFHZYKO-GJZGRUSLSA-N 2 0 293.455 1.851 10 0 CDAERP CC(C)C[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001656176312 1171784246 /nfs/dbraw/zinc/78/42/46/1171784246.db2.gz RUBLEBYIFRCLKV-OKILXGFUSA-N 2 0 269.433 1.467 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001656234476 1171796753 /nfs/dbraw/zinc/79/67/53/1171796753.db2.gz HIPNIBRCVIQWFI-SHTZXODSSA-N 2 0 291.439 1.533 10 0 CDAERP CN(Cc1ccccc1)C[C@@H](O)C[N@H+](C)C1CCC1 ZINC000075841263 1172144341 /nfs/dbraw/zinc/14/43/41/1172144341.db2.gz UTLIPTYXBZQDRG-MRXNPFEDSA-N 2 0 262.397 1.964 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C[NH2+]CCCF)C1 ZINC001661842110 1172454704 /nfs/dbraw/zinc/45/47/04/1172454704.db2.gz KLJPTCQFPZHMGC-AWEZNQCLSA-N 2 0 287.423 1.514 10 0 CDAERP CC/C=C\CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)[NH+](C)C ZINC001662048850 1172479996 /nfs/dbraw/zinc/47/99/96/1172479996.db2.gz VOYWYBDAFHQJMV-HZFXKLKXSA-N 2 0 293.455 1.729 10 0 CDAERP COCCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001662541472 1172558870 /nfs/dbraw/zinc/55/88/70/1172558870.db2.gz CVNUESWWOMFBAG-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001662723390 1172587040 /nfs/dbraw/zinc/58/70/40/1172587040.db2.gz SVXYEPOKQOFTDF-CABCVRRESA-N 2 0 281.444 1.422 10 0 CDAERP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]CC1CCC1 ZINC001663009431 1172627336 /nfs/dbraw/zinc/62/73/36/1172627336.db2.gz UJTJGABZWBYPHI-CYBMUJFWSA-N 2 0 267.417 1.367 10 0 CDAERP C[C@@H](CC[NH2+]CCCF)NC(=O)C[NH+]1CCC(C)CC1 ZINC001668254332 1173387761 /nfs/dbraw/zinc/38/77/61/1173387761.db2.gz MRMOZGHVXJGMRU-AWEZNQCLSA-N 2 0 287.423 1.562 10 0 CDAERP C[C@H](CC[NH2+]CCC1CC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001668278835 1173391129 /nfs/dbraw/zinc/39/11/29/1173391129.db2.gz LVTKPNAXFFFCJC-CYBMUJFWSA-N 2 0 279.428 1.367 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@](C)(C[NH2+]CCF)C1 ZINC001671752260 1173709283 /nfs/dbraw/zinc/70/92/83/1173709283.db2.gz GSOYIXDCSLPLNB-UKRRQHHQSA-N 2 0 285.407 1.268 10 0 CDAERP CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001689052575 1175087569 /nfs/dbraw/zinc/08/75/69/1175087569.db2.gz OANFZOUWSMXQEW-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP COCCC[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001690788711 1175571811 /nfs/dbraw/zinc/57/18/11/1175571811.db2.gz UYFQBDWICZCZJI-LSDHHAIUSA-N 2 0 299.459 1.380 10 0 CDAERP C[NH+](C)CCC(=O)N1CCCCC[C@H]([NH2+]CCCF)C1 ZINC001692330203 1175737628 /nfs/dbraw/zinc/73/76/28/1175737628.db2.gz WMBAXJITCPEBBL-AWEZNQCLSA-N 2 0 287.423 1.659 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001692404841 1175761891 /nfs/dbraw/zinc/76/18/91/1175761891.db2.gz FGCXYUNSZHCZTQ-HZSPNIEDSA-N 2 0 269.433 1.563 10 0 CDAERP C[C@@H]([NH3+])C(=O)N(C)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000211688467 1175785879 /nfs/dbraw/zinc/78/58/79/1175785879.db2.gz ACSZSSLFXHXYAJ-ZBFHGGJFSA-N 2 0 289.423 1.847 10 0 CDAERP C[C@H](CC[NH2+]CCF)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001699110319 1176097429 /nfs/dbraw/zinc/09/74/29/1176097429.db2.gz PTBYFECFOVZNFM-CHWSQXEVSA-N 2 0 273.396 1.315 10 0 CDAERP CCC[NH2+]CCN(CC)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001699204734 1176139566 /nfs/dbraw/zinc/13/95/66/1176139566.db2.gz URXBFGMCOFEEGE-ZDUSSCGKSA-N 2 0 255.406 1.176 10 0 CDAERP CCCCC[NH2+]CCN(CC)C(=O)C12CC[NH+](CC1)C2 ZINC001699214266 1176142131 /nfs/dbraw/zinc/14/21/31/1176142131.db2.gz JAFXIVVWQHJMCT-UHFFFAOYSA-N 2 0 281.444 1.711 10 0 CDAERP CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001699368213 1176323990 /nfs/dbraw/zinc/32/39/90/1176323990.db2.gz BPOBKGKRHHYUMW-ZIAGYGMSSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@@H](F)CC[NH2+]CCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001699506172 1176454103 /nfs/dbraw/zinc/45/41/03/1176454103.db2.gz AKTLQKPJMGQERM-UKRRQHHQSA-N 2 0 299.434 1.514 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](CC[NH2+]CCF)C2)C1 ZINC001700079695 1176741553 /nfs/dbraw/zinc/74/15/53/1176741553.db2.gz QNHTUKYMIBNNSJ-KBPBESRZSA-N 2 0 285.407 1.126 10 0 CDAERP C[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]CCF)CC2)CC1 ZINC001700102982 1176748066 /nfs/dbraw/zinc/74/80/66/1176748066.db2.gz JQIFWKBTNYIUAE-CTYIDZIISA-N 2 0 299.434 1.562 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001700290571 1176834041 /nfs/dbraw/zinc/83/40/41/1176834041.db2.gz PIBGLJWNMMHCPM-CYBMUJFWSA-N 2 0 269.433 1.563 10 0 CDAERP CC[NH2+][C@@H](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001700325932 1176852429 /nfs/dbraw/zinc/85/24/29/1176852429.db2.gz NFMMAPRHPCGHLD-LBPRGKRZSA-N 2 0 255.406 1.365 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]CCCF)C1 ZINC001700382364 1176885523 /nfs/dbraw/zinc/88/55/23/1176885523.db2.gz NTEHDNIXWPBCOH-YMAMQOFZSA-N 2 0 299.434 1.705 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC1CC(C[NH2+]CCCF)C1 ZINC001700382363 1176886353 /nfs/dbraw/zinc/88/63/53/1176886353.db2.gz NTEHDNIXWPBCOH-NRXISQOPSA-N 2 0 299.434 1.705 10 0 CDAERP CC[NH2+][C@H](C)[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001700420346 1176918292 /nfs/dbraw/zinc/91/82/92/1176918292.db2.gz YFOUDBGFZSBDNP-VXGBXAGGSA-N 2 0 255.406 1.221 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001700634251 1177046650 /nfs/dbraw/zinc/04/66/50/1177046650.db2.gz JOPVYFVFSSVAQZ-MGPQQGTHSA-N 2 0 299.434 1.703 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCCF)C(C)(C)C ZINC001700983103 1177224137 /nfs/dbraw/zinc/22/41/37/1177224137.db2.gz GFGFZGOXWYXEFQ-STQMWFEESA-N 2 0 287.423 1.561 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001707381488 1177998040 /nfs/dbraw/zinc/99/80/40/1177998040.db2.gz PYZQSVISWIYTRG-ZDUSSCGKSA-N 2 0 287.423 1.657 10 0 CDAERP CC/C=C/CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001723498784 1178126437 /nfs/dbraw/zinc/12/64/37/1178126437.db2.gz ANKFWQLKALTNCO-ISZGNANSSA-N 2 0 279.428 1.675 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000230711179 1178156827 /nfs/dbraw/zinc/15/68/27/1178156827.db2.gz OEZBRZXPBPSSBV-CHWSQXEVSA-N 2 0 255.406 1.304 10 0 CDAERP CCCC[NH2+][C@@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001713316808 1178493252 /nfs/dbraw/zinc/49/32/52/1178493252.db2.gz ZSCOBTMZFZIAHW-UONOGXRCSA-N 2 0 269.433 1.755 10 0 CDAERP CCOCC[NH2+]C[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001713353665 1178517488 /nfs/dbraw/zinc/51/74/88/1178517488.db2.gz VYWKTJDVPWJALT-HUUCEWRRSA-N 2 0 299.459 1.047 10 0 CDAERP C[N@H+](CCCCCF)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001713457673 1178577668 /nfs/dbraw/zinc/57/76/68/1178577668.db2.gz JSIRSQWVJFYLFZ-AWEZNQCLSA-N 2 0 287.423 1.659 10 0 CDAERP CC(C)=CC[N@H+]1CCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001713512120 1178616215 /nfs/dbraw/zinc/61/62/15/1178616215.db2.gz HMVXEERLWLIYIQ-OAHLLOKOSA-N 2 0 281.444 1.875 10 0 CDAERP CCC[N@H+](CCNC(=O)C[NH+](C)C(C)C)C(C)C ZINC001713552099 1178640628 /nfs/dbraw/zinc/64/06/28/1178640628.db2.gz MVCGFASIPFJZCP-UHFFFAOYSA-N 2 0 257.422 1.563 10 0 CDAERP CC[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001713625707 1178686508 /nfs/dbraw/zinc/68/65/08/1178686508.db2.gz HTSUUMSVXUOJMR-OAHLLOKOSA-N 2 0 281.444 1.851 10 0 CDAERP CC(C)C[NH2+]CCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001713666426 1178702493 /nfs/dbraw/zinc/70/24/93/1178702493.db2.gz QNCQNKKNKKEIMG-KBPBESRZSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCCF)C1 ZINC001713961435 1178893699 /nfs/dbraw/zinc/89/36/99/1178893699.db2.gz VGDZKGHRSPSAPJ-RBSFLKMASA-N 2 0 299.434 1.846 10 0 CDAERP CCCC[NH2+][C@H](CC)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001714123120 1178983383 /nfs/dbraw/zinc/98/33/83/1178983383.db2.gz URPUSSLHUYQHJE-CHWSQXEVSA-N 2 0 255.406 1.223 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC1=CCCCC1 ZINC001714234835 1179039176 /nfs/dbraw/zinc/03/91/76/1179039176.db2.gz NMTIKXJTPKIIGS-IIAWOOMASA-N 2 0 293.455 1.921 10 0 CDAERP CC/C=C\CC[NH2+][C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001714242072 1179042351 /nfs/dbraw/zinc/04/23/51/1179042351.db2.gz UXYVZZNSWZUGSM-AFNCTOJWSA-N 2 0 281.444 1.921 10 0 CDAERP CC[C@@H](C)C[NH2+][C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001714269686 1179055897 /nfs/dbraw/zinc/05/58/97/1179055897.db2.gz HQZYXNYQIKVYSW-OLZOCXBDSA-N 2 0 269.433 1.469 10 0 CDAERP CCC[NH2+]C[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001714367133 1179107179 /nfs/dbraw/zinc/10/71/79/1179107179.db2.gz NDGSNUXLDZVWPG-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001714381343 1179113958 /nfs/dbraw/zinc/11/39/58/1179113958.db2.gz CWXVTPKHRMQURA-HNNXBMFYSA-N 2 0 279.428 1.487 10 0 CDAERP CCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001714397794 1179123260 /nfs/dbraw/zinc/12/32/60/1179123260.db2.gz RMQBQLHIUZBPAY-ZIAGYGMSSA-N 2 0 269.433 1.613 10 0 CDAERP CCCCC[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001714642211 1179292539 /nfs/dbraw/zinc/29/25/39/1179292539.db2.gz DUOQXFKMQMJOTM-CQSZACIVSA-N 2 0 269.433 1.566 10 0 CDAERP C[C@@H](C[NH2+]C/C=C\Cl)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001714746766 1179373478 /nfs/dbraw/zinc/37/34/78/1179373478.db2.gz BZOGIRNKQXVAED-RMKKPPKKSA-N 2 0 287.835 1.517 10 0 CDAERP CC(C)C[C@H](C[NH2+]C(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001714908459 1179448324 /nfs/dbraw/zinc/44/83/24/1179448324.db2.gz UMOAOZSVNOPVLD-KGLIPLIRSA-N 2 0 269.433 1.610 10 0 CDAERP C[C@@H](CC[NH2+]Cc1nccs1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001715673400 1179759310 /nfs/dbraw/zinc/75/93/10/1179759310.db2.gz SKCKXXQGTNSIFB-NWDGAFQWSA-N 2 0 296.440 1.222 10 0 CDAERP CCN(CC[NH2+]CC=C(C)C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001715739553 1179786164 /nfs/dbraw/zinc/78/61/64/1179786164.db2.gz SLIDZHFGPJVCMH-ZIAGYGMSSA-N 2 0 290.411 1.918 10 0 CDAERP Cc1ccc(C[NH2+]C/C=C\CNC(=O)CC[NH+](C)C)cc1 ZINC001715869050 1179885853 /nfs/dbraw/zinc/88/58/53/1179885853.db2.gz YXNFHWJQUOXXIL-PLNGDYQASA-N 2 0 289.423 1.709 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC/C=C/C[NH2+]CC1CC1 ZINC001715912325 1179909584 /nfs/dbraw/zinc/90/95/84/1179909584.db2.gz KBFVCRUOXJUBPX-ISANGGDFSA-N 2 0 279.428 1.531 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]C/C=C\Cl ZINC001715913127 1179909691 /nfs/dbraw/zinc/90/96/91/1179909691.db2.gz NLUSSWZEXGYUDY-XGDAZMNZSA-N 2 0 299.846 1.875 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]C/C=C\Cl ZINC001715913119 1179910210 /nfs/dbraw/zinc/91/02/10/1179910210.db2.gz NLUSSWZEXGYUDY-ISSYEHJUSA-N 2 0 299.846 1.875 10 0 CDAERP CCCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001715938998 1179928729 /nfs/dbraw/zinc/92/87/29/1179928729.db2.gz SASMXBGXVDTLOF-CHWSQXEVSA-N 2 0 255.406 1.365 10 0 CDAERP CCCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001715944962 1179933625 /nfs/dbraw/zinc/93/36/25/1179933625.db2.gz MMGYKQDDQYMPBH-RDBSUJKOSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001715991401 1179968750 /nfs/dbraw/zinc/96/87/50/1179968750.db2.gz MDRKRWZZNMTUSZ-KKUMJFAQSA-N 2 0 281.444 1.777 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]C/C=C/Cl ZINC001716070454 1180029837 /nfs/dbraw/zinc/02/98/37/1180029837.db2.gz ZZZYNYGZVFYKSL-JDRGJFMNSA-N 2 0 287.835 1.565 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CC[NH2+]Cc1cccnc1 ZINC001716198487 1180093762 /nfs/dbraw/zinc/09/37/62/1180093762.db2.gz OGOLAQNFJAOTII-CQSZACIVSA-N 2 0 292.427 1.406 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC/C=C\C[NH2+]C[C@@H]1CC[C@@H](C)O1 ZINC001716379839 1180174072 /nfs/dbraw/zinc/17/40/72/1180174072.db2.gz VQVPNQCGVHCZIG-JGUVHBTRSA-N 2 0 297.443 1.156 10 0 CDAERP CCC[NH2+]C[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001716424505 1180198464 /nfs/dbraw/zinc/19/84/64/1180198464.db2.gz IOTWQQTZUDZPPL-CYBMUJFWSA-N 2 0 255.406 1.367 10 0 CDAERP CC/C=C\CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001716489273 1180250337 /nfs/dbraw/zinc/25/03/37/1180250337.db2.gz FLOMRPGHDIDHMO-YOVCOIKASA-N 2 0 281.444 1.873 10 0 CDAERP CCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1CC ZINC001716507173 1180260803 /nfs/dbraw/zinc/26/08/03/1180260803.db2.gz BDWCJCIYUOTSFG-KBPBESRZSA-N 2 0 269.433 1.707 10 0 CDAERP CC[C@@H](C(=O)N(C)CCC[NH2+]C[C@H]1CCCOC1)[NH+](C)C ZINC001716568798 1180287716 /nfs/dbraw/zinc/28/77/16/1180287716.db2.gz SMVDQTISAMWPHQ-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)[NH2+]CCCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001716573242 1180289363 /nfs/dbraw/zinc/28/93/63/1180289363.db2.gz WHVZPNSJLOBIPL-HUUCEWRRSA-N 2 0 281.444 1.850 10 0 CDAERP CN(CCC[NH2+]Cc1nccs1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001716585757 1180294317 /nfs/dbraw/zinc/29/43/17/1180294317.db2.gz RRLDOEZFSUVQNE-GFCCVEGCSA-N 2 0 296.440 1.033 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+]2CCCCCF)C1 ZINC001716670577 1180355942 /nfs/dbraw/zinc/35/59/42/1180355942.db2.gz FJCXZXSGYAJRGS-UONOGXRCSA-N 2 0 285.407 1.268 10 0 CDAERP CCCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001716765065 1180406135 /nfs/dbraw/zinc/40/61/35/1180406135.db2.gz SQYXWJZWNODNKG-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C[NH2+]CCC1CC1 ZINC001716995675 1180497017 /nfs/dbraw/zinc/49/70/17/1180497017.db2.gz WBBYNGUNWISHGT-HOCLYGCPSA-N 2 0 293.455 1.566 10 0 CDAERP CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001717540564 1180728177 /nfs/dbraw/zinc/72/81/77/1180728177.db2.gz QIONHTXRWVNZPB-CQSZACIVSA-N 2 0 267.417 1.463 10 0 CDAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCCO ZINC001717744871 1180823465 /nfs/dbraw/zinc/82/34/65/1180823465.db2.gz JZLQYZCYPZZCGA-CABCVRRESA-N 2 0 299.459 1.068 10 0 CDAERP CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC001717889988 1180915819 /nfs/dbraw/zinc/91/58/19/1180915819.db2.gz JRNWBIUCNMTRCL-UONOGXRCSA-N 2 0 281.444 1.707 10 0 CDAERP CCCC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC1(C)C ZINC001717903095 1180921591 /nfs/dbraw/zinc/92/15/91/1180921591.db2.gz MGQFAUSMBJHTKZ-CQSZACIVSA-N 2 0 293.455 1.709 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C[NH2+]CCF)C(C)(C)C ZINC001717970939 1180952975 /nfs/dbraw/zinc/95/29/75/1180952975.db2.gz FJOLWYALTHVAQI-LBPRGKRZSA-N 2 0 275.412 1.418 10 0 CDAERP C[C@H]1C[C@H]([NH2+]CCCF)CCN1C(=O)CC[NH+](C)C ZINC001723858458 1181612781 /nfs/dbraw/zinc/61/27/81/1181612781.db2.gz GLUKOPNQOLDERM-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP CCCC[N@@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001724173222 1181648568 /nfs/dbraw/zinc/64/85/68/1181648568.db2.gz JPCPQHDTOWZCMA-AWEZNQCLSA-N 2 0 255.406 1.319 10 0 CDAERP COCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001724565800 1181695687 /nfs/dbraw/zinc/69/56/87/1181695687.db2.gz ZGEZADTUMSLDPR-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)[N@H+](C)CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001724859258 1181780529 /nfs/dbraw/zinc/78/05/29/1181780529.db2.gz BFHBWAAWDLKXRK-UHFFFAOYSA-N 2 0 255.406 1.271 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@H]2CC[C@@H](C[NH2+]CCF)C2)CCC1 ZINC001725635608 1182079433 /nfs/dbraw/zinc/07/94/33/1182079433.db2.gz JFPYRFYSCJFDRZ-OLZOCXBDSA-N 2 0 285.407 1.315 10 0 CDAERP CC(C)=CC[NH+](C)CCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001731265596 1182284522 /nfs/dbraw/zinc/28/45/22/1182284522.db2.gz JLWPKHAICAAZAV-HNNXBMFYSA-N 2 0 281.444 1.733 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C)C[C@@H](C)O ZINC001731307051 1182308791 /nfs/dbraw/zinc/30/87/91/1182308791.db2.gz RWMKHNVFPIFWID-CABCVRRESA-N 2 0 299.459 1.068 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001731753664 1182551361 /nfs/dbraw/zinc/55/13/61/1182551361.db2.gz FSMNTAYBIQOUJO-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)CC=C(C)C)CC[N@@H+]1C ZINC001731771504 1182566558 /nfs/dbraw/zinc/56/65/58/1182566558.db2.gz XKJSYGBBYRVQOR-LSDHHAIUSA-N 2 0 281.444 1.731 10 0 CDAERP Cc1ccccc1C[NH2+]CCN(C)C(=O)C[N@@H+](C)C(C)C ZINC001731987959 1182715376 /nfs/dbraw/zinc/71/53/76/1182715376.db2.gz PDDAHZAMUARPRL-UHFFFAOYSA-N 2 0 291.439 1.883 10 0 CDAERP CC[C@H](F)C[NH2+]CCN(C)C(=O)C[N@H+](C)C(C)C ZINC001731987595 1182716543 /nfs/dbraw/zinc/71/65/43/1182716543.db2.gz ISOGFBPIFVILKF-LBPRGKRZSA-N 2 0 261.385 1.123 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)[C@H]1CC[NH+](CC=C(C)C)C1 ZINC001732169666 1182827553 /nfs/dbraw/zinc/82/75/53/1182827553.db2.gz HVHBXLOOGAXBGN-HNNXBMFYSA-N 2 0 281.444 1.827 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CC[NH2+]CC1CCOCC1 ZINC001732753616 1183108273 /nfs/dbraw/zinc/10/82/73/1183108273.db2.gz GGJSZIHCEOZXBD-AWEZNQCLSA-N 2 0 299.459 1.238 10 0 CDAERP CC(C)C[NH2+]C/C=C/CNC(=O)C1CC[NH+](C)CC1 ZINC001732895608 1183175341 /nfs/dbraw/zinc/17/53/41/1183175341.db2.gz RPYGLFAUCFBMRC-SNAWJCMRSA-N 2 0 267.417 1.246 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCCF)C[C@H]1C ZINC001733336006 1183400521 /nfs/dbraw/zinc/40/05/21/1183400521.db2.gz POIKJCLBOVNTBE-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)[N@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001733935432 1183575013 /nfs/dbraw/zinc/57/50/13/1183575013.db2.gz HIHXUVNHLGWFET-ZDUSSCGKSA-N 2 0 255.406 1.269 10 0 CDAERP CCCC[C@@H](C[NH2+]CCF)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001734093532 1183654848 /nfs/dbraw/zinc/65/48/48/1183654848.db2.gz LXUBYCHXJCWNNC-GJZGRUSLSA-N 2 0 299.434 1.562 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H](C)C1C[NH+](CC=C(C)C)C1 ZINC001734126700 1183668123 /nfs/dbraw/zinc/66/81/23/1183668123.db2.gz OUIQUZVPBZHYCY-AWEZNQCLSA-N 2 0 281.444 1.731 10 0 CDAERP O=C(N[C@H]1C[C@H](C[NH2+]C/C=C\Cl)C1)C12CC[NH+](CC1)C2 ZINC001734218645 1183695386 /nfs/dbraw/zinc/69/53/86/1183695386.db2.gz ASOQUJOWOVROFA-SOPPWIERSA-N 2 0 297.830 1.319 10 0 CDAERP CC[C@H](C)C[C@@H]([NH3+])C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000400814914 1186380380 /nfs/dbraw/zinc/38/03/80/1186380380.db2.gz NFDFFMXWOLARDQ-YUTCNCBUSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N(C)[C@H]3CCC[NH+](C)C3)C[N@@H+]2C1 ZINC001772421824 1187222205 /nfs/dbraw/zinc/22/22/05/1187222205.db2.gz OZWBLFSPZCGXFF-UGUYLWEFSA-N 2 0 293.455 1.659 10 0 CDAERP CCN(C(=O)N[C@H](C)CC[NH+](CC)CC)[C@H]1CC[N@H+](C)C1 ZINC001772444908 1187234348 /nfs/dbraw/zinc/23/43/48/1187234348.db2.gz BNEFPXGWTGIATA-CABCVRRESA-N 2 0 298.475 1.842 10 0 CDAERP C[N@H+]1CC=C(C[NH2+]C[C@H](O)CC2CCCC2)CC1 ZINC000392770543 1187283129 /nfs/dbraw/zinc/28/31/29/1187283129.db2.gz RHTOAPZNUVDACP-OAHLLOKOSA-N 2 0 252.402 1.779 10 0 CDAERP C(C[NH2+]C1CC1)CN1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000923429337 735176597 /nfs/dbraw/zinc/17/65/97/735176597.db2.gz ZQEMSGJWXKAXPH-OAHLLOKOSA-N 2 0 251.418 1.594 10 0 CDAERP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713215654 735303044 /nfs/dbraw/zinc/30/30/44/735303044.db2.gz PGSUELPNYNTDRR-NYTXWWLZSA-N 2 0 281.444 1.741 10 0 CDAERP CCN(CC)C(=O)C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866707025 735316157 /nfs/dbraw/zinc/31/61/57/735316157.db2.gz LDTQACVBRWBMAI-OAHLLOKOSA-N 2 0 269.433 1.552 10 0 CDAERP CCCC[N@H+](C)CC1CC[NH+](CC[S@@](C)=O)CC1 ZINC000798196658 735329157 /nfs/dbraw/zinc/32/91/57/735329157.db2.gz WUAKYOMFBXMMMG-GOSISDBHSA-N 2 0 274.474 1.809 10 0 CDAERP O[C@@H](C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000819014870 735332987 /nfs/dbraw/zinc/33/29/87/735332987.db2.gz AJHIYIGKKHJOQG-WMZOPIPTSA-N 2 0 288.435 1.912 10 0 CDAERP COc1cc(C[NH+]2CCC(C(C)(C)C[NH3+])CC2)on1 ZINC000714488136 735338886 /nfs/dbraw/zinc/33/88/86/735338886.db2.gz XEPXMDMUOPEWEO-UHFFFAOYSA-N 2 0 267.373 1.880 10 0 CDAERP CC(C)C[C@H](O)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000850099668 735355741 /nfs/dbraw/zinc/35/57/41/735355741.db2.gz SSDJTMMRTPYRAG-HNNXBMFYSA-N 2 0 274.368 1.764 10 0 CDAERP CCC1([NH3+])CCN([C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000714758440 735421452 /nfs/dbraw/zinc/42/14/52/735421452.db2.gz NXTUQPMYNUNEMN-ZIAGYGMSSA-N 2 0 251.418 1.817 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)CC[NH2+]CC1CC1 ZINC000870949574 735445012 /nfs/dbraw/zinc/44/50/12/735445012.db2.gz JLWUYJXVKLCPEW-UHFFFAOYSA-N 2 0 275.396 1.412 10 0 CDAERP CC(C)[C@@H]1COCC[C@@H]1[NH2+]CCN1CC[C@@H](C)C1 ZINC000925198288 735457547 /nfs/dbraw/zinc/45/75/47/735457547.db2.gz RIVFZANDYPYKJT-ILXRZTDVSA-N 2 0 254.418 1.979 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711272472 735459739 /nfs/dbraw/zinc/45/97/39/735459739.db2.gz IHGNWQUILYEFMW-OLZOCXBDSA-N 2 0 267.417 1.175 10 0 CDAERP CC1(C)C[C@H](C[NH2+]C[C@@H](O)C[NH+]2CCCC2)C(C)(C)O1 ZINC000709748222 735509656 /nfs/dbraw/zinc/50/96/56/735509656.db2.gz BWXLNVJGROLMTG-ZIAGYGMSSA-N 2 0 284.444 1.626 10 0 CDAERP CN(C(=O)c1cccc(C[NH3+])c1)[C@H]1C[NH+]2CCC1CC2 ZINC000380903778 735528606 /nfs/dbraw/zinc/52/86/06/735528606.db2.gz GOBGIZYCUVIUSD-HNNXBMFYSA-N 2 0 273.380 1.312 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870872359 735772118 /nfs/dbraw/zinc/77/21/18/735772118.db2.gz RZMSNAXCPRCGHZ-AQRJEWBLSA-N 2 0 279.428 1.350 10 0 CDAERP C[N@H+](CCc1ccc(F)cc1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923308976 735853057 /nfs/dbraw/zinc/85/30/57/735853057.db2.gz GYCHHTBDIABQGY-IHRRRGAJSA-N 2 0 252.333 1.151 10 0 CDAERP C[C@H]1C[C@@H](C[N@@H+]2CCC3=C(CCC(=O)N3)C2)CC[NH2+]1 ZINC000849350851 735870707 /nfs/dbraw/zinc/87/07/07/735870707.db2.gz YSZVWXUPVMDHTD-RYUDHWBXSA-N 2 0 263.385 1.244 10 0 CDAERP CC(C)(C)[NH2+]CCC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000720475631 735883335 /nfs/dbraw/zinc/88/33/35/735883335.db2.gz QSTGGBPMQNVZPW-QWHCGFSZSA-N 2 0 299.484 1.461 10 0 CDAERP CCn1ncc(C[NH2+]C2CCC(C[NH+](C)C)CC2)n1 ZINC000838979379 735907148 /nfs/dbraw/zinc/90/71/48/735907148.db2.gz KOTWCYKPDDLSSK-UHFFFAOYSA-N 2 0 265.405 1.508 10 0 CDAERP CN(C)Cc1cnc(CNC2CC([NH+](C)C)C2)s1 ZINC000848557908 736046488 /nfs/dbraw/zinc/04/64/88/736046488.db2.gz NGIXMJCFLINREW-UHFFFAOYSA-N 2 0 268.430 1.387 10 0 CDAERP CCc1noc(C)c1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923500704 736074957 /nfs/dbraw/zinc/07/49/57/736074957.db2.gz WXMOXEHZDCJOKU-JQWIXIFHSA-N 2 0 251.374 1.962 10 0 CDAERP C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H](CN)C1CC1 ZINC000923355704 736144987 /nfs/dbraw/zinc/14/49/87/736144987.db2.gz AQGQQEIADXGRLI-FBAPMCOASA-N 2 0 251.418 1.576 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CC[NH2+]C(C)(C)C ZINC000094447202 736178941 /nfs/dbraw/zinc/17/89/41/736178941.db2.gz RYTXWHFPZYSTLH-ZIAGYGMSSA-N 2 0 281.444 1.850 10 0 CDAERP CC[NH+](CC)CCNC(=O)C(C)(C)[C@H]([NH3+])C(C)C ZINC000713114193 736290742 /nfs/dbraw/zinc/29/07/42/736290742.db2.gz VJNVUOSPOHKIMQ-GFCCVEGCSA-N 2 0 257.422 1.454 10 0 CDAERP O=C1CC[N@H+](CC[C@@H]2CC[NH2+]C2)CCCCCCN1 ZINC000866684283 736244150 /nfs/dbraw/zinc/24/41/50/736244150.db2.gz KZLZNRZLHVBNQM-AWEZNQCLSA-N 2 0 267.417 1.368 10 0 CDAERP C[NH+]1CCN(CCC[NH2+][C@H]2CC3CCC2CC3)CC1 ZINC000381944241 736320213 /nfs/dbraw/zinc/32/02/13/736320213.db2.gz BLTNVHBYMWVQHF-GPANFISMSA-N 2 0 265.445 1.792 10 0 CDAERP O=C(CCCC[NH+]1CCCC1)N[C@H]1C[NH2+]CCC1(F)F ZINC000844197727 733197553 /nfs/dbraw/zinc/19/75/53/733197553.db2.gz RDHFNUAYFPXEFW-LBPRGKRZSA-N 2 0 289.370 1.366 10 0 CDAERP C[C@H]([NH2+][C@@H]1CCCN2CCSC[C@@H]12)[C@@H]1CCC[NH2+]C1 ZINC000720494949 733220514 /nfs/dbraw/zinc/22/05/14/733220514.db2.gz JXOCQPDUSATBAM-YJNKXOJESA-N 2 0 283.485 1.544 10 0 CDAERP COc1ccc(C[C@@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cn1 ZINC000925795874 733260519 /nfs/dbraw/zinc/26/05/19/733260519.db2.gz QNEUUEVSAMFPDL-UMVBOHGHSA-N 2 0 277.412 1.856 10 0 CDAERP C1CC1[C@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)CCO1 ZINC000925639040 733267916 /nfs/dbraw/zinc/26/79/16/733267916.db2.gz JIQKAXDJOVMASA-MCIONIFRSA-N 2 0 250.386 1.818 10 0 CDAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC000844193939 733282075 /nfs/dbraw/zinc/28/20/75/733282075.db2.gz PFJYLIIZNBIUQA-UONOGXRCSA-N 2 0 267.417 1.367 10 0 CDAERP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCc1ncn(C)n1 ZINC000647801511 733409568 /nfs/dbraw/zinc/40/95/68/733409568.db2.gz WWJDBOYALZFQDM-UONOGXRCSA-N 2 0 279.432 1.648 10 0 CDAERP CNC(=[NH2+])NCc1ccccc1C[NH+]1CCCCC1 ZINC000848983166 733432854 /nfs/dbraw/zinc/43/28/54/733432854.db2.gz RHDXELBVPAYHGS-UHFFFAOYSA-N 2 0 260.385 1.916 10 0 CDAERP COC(=O)[C@]12C[C@H]1CCC[N@@H+]2CC[C@@H]1CC[NH2+]C1 ZINC000923552078 733442789 /nfs/dbraw/zinc/44/27/89/733442789.db2.gz SQVZRBYGEOMBJA-SCRDCRAPSA-N 2 0 252.358 1.014 10 0 CDAERP O[C@@H](C[NH2+][C@H]1CC2CCC1CC2)C[NH+]1CCCC1 ZINC000386866178 733484438 /nfs/dbraw/zinc/48/44/38/733484438.db2.gz VFQQOYHFDYKBPV-WUCCLRPBSA-N 2 0 252.402 1.611 10 0 CDAERP CCOC(=O)N1CC[C@@H]([NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000925644125 733566530 /nfs/dbraw/zinc/56/65/30/733566530.db2.gz YBTJHXJAPXCKHV-YIYPIFLZSA-N 2 0 295.427 1.583 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852868579 733596314 /nfs/dbraw/zinc/59/63/14/733596314.db2.gz SJTGAEIQUVVRCU-UHFFFAOYSA-N 2 0 279.428 1.534 10 0 CDAERP CC1(C)[C@@H]([NH2+]CCOc2cccnc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925490251 733604010 /nfs/dbraw/zinc/60/40/10/733604010.db2.gz RUZNVERDPQHOAN-ILXRZTDVSA-N 2 0 275.396 1.827 10 0 CDAERP CCSCC[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923454106 733707002 /nfs/dbraw/zinc/70/70/02/733707002.db2.gz OOZZFCXMZOHCHF-GFCCVEGCSA-N 2 0 258.431 1.569 10 0 CDAERP Cc1cc(NCC[N@@H+](C)Cc2ccccc2)nc(N)[nH+]1 ZINC000053582833 733756269 /nfs/dbraw/zinc/75/62/69/733756269.db2.gz PSHCTCATHWWWKR-UHFFFAOYSA-N 2 0 271.368 1.911 10 0 CDAERP CC[C@H]1CCN(C(=[NH2+])NCC[N@H+](CC)C2CC2)C1 ZINC000864457473 733793327 /nfs/dbraw/zinc/79/33/27/733793327.db2.gz TWXFUIJAMTYPNK-LBPRGKRZSA-N 2 0 252.406 1.727 10 0 CDAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](C[C@H]1C[C@]13CCOC3)CC2 ZINC000923446290 733801525 /nfs/dbraw/zinc/80/15/25/733801525.db2.gz MHLAAEAKVUUHTQ-YCPHGPKFSA-N 2 0 280.412 1.243 10 0 CDAERP CCO[C@H]1C[C@H]([NH2+]CCN2CCC([NH3+])CC2)C1(C)C ZINC000233766108 733825483 /nfs/dbraw/zinc/82/54/83/733825483.db2.gz CDEXHWDVSWSSRU-KBPBESRZSA-N 2 0 269.433 1.203 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH2+]CC2(C)C)C1 ZINC000711392881 733825543 /nfs/dbraw/zinc/82/55/43/733825543.db2.gz HEWQZKBKSDPJPO-STQMWFEESA-N 2 0 281.444 1.469 10 0 CDAERP CC(C)COC[C@H](O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000923415572 733839540 /nfs/dbraw/zinc/83/95/40/733839540.db2.gz USRCQJOFWMYJQZ-RBSFLKMASA-N 2 0 270.417 1.094 10 0 CDAERP CC(C)=C(C)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870021029 733851349 /nfs/dbraw/zinc/85/13/49/733851349.db2.gz YYHGHNRDFOAKBT-HUUCEWRRSA-N 2 0 281.444 1.541 10 0 CDAERP CCc1[nH]nc(Cl)c1C[NH2+]CCOCC[NH+](C)C ZINC000922007070 733873313 /nfs/dbraw/zinc/87/33/13/733873313.db2.gz FGVXYVCIETVAGU-UHFFFAOYSA-N 2 0 274.796 1.293 10 0 CDAERP C(C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)O[C@@H]1CCOC1 ZINC000923361521 733887707 /nfs/dbraw/zinc/88/77/07/733887707.db2.gz FUVHNFWUGQWPRL-QLFBSQMISA-N 2 0 268.401 1.113 10 0 CDAERP CC[N@H+]1[C@H](C)CN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C[C@@H]1C ZINC000880609957 733893873 /nfs/dbraw/zinc/89/38/73/733893873.db2.gz CIYPRHYPZQOZKC-XQLPTFJDSA-N 2 0 281.444 1.658 10 0 CDAERP C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923504864 733912414 /nfs/dbraw/zinc/91/24/14/733912414.db2.gz VEIZQKVXVSXPHV-MCIONIFRSA-N 2 0 281.444 1.741 10 0 CDAERP CC[N@H+](C)C[C@H]1CC[NH+](CCCCCNC(C)=O)C1 ZINC000929786945 733943843 /nfs/dbraw/zinc/94/38/43/733943843.db2.gz INOJWTAJXXPRKA-OAHLLOKOSA-N 2 0 269.433 1.566 10 0 CDAERP C[NH+](C)C[C@@H]1CN(C(=O)CSC2CC2)C[C@H]1C[NH+](C)C ZINC000870017892 733955213 /nfs/dbraw/zinc/95/52/13/733955213.db2.gz TXRAUNYYIOLQEJ-CHWSQXEVSA-N 2 0 299.484 1.080 10 0 CDAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@@H]3C[C@@H]4CCC[C@@H]4O3)C[C@H]12 ZINC000720883373 733967787 /nfs/dbraw/zinc/96/77/87/733967787.db2.gz WQBPOXZLNOCPNW-HGPDSQILSA-N 2 0 250.386 1.613 10 0 CDAERP C[N@@H+]1CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CCC1(C)C ZINC000868169206 733983479 /nfs/dbraw/zinc/98/34/79/733983479.db2.gz SQCWCEIOBSZJTA-SECBINFHSA-N 2 0 296.337 1.002 10 0 CDAERP C[C@@H](c1ccncc1)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923451626 733985523 /nfs/dbraw/zinc/98/55/23/733985523.db2.gz OUZDAOQZSXBARL-DZGCQCFKSA-N 2 0 275.396 1.972 10 0 CDAERP COC(=O)C1=CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000863542944 733995407 /nfs/dbraw/zinc/99/54/07/733995407.db2.gz UZFOTKVHIYNYPG-YIYPIFLZSA-N 2 0 264.369 1.226 10 0 CDAERP CC(C)N1CC[C@H]([NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1=O ZINC000925601702 733997361 /nfs/dbraw/zinc/99/73/61/733997361.db2.gz NDPHJCZQNZPBNM-AGIUHOORSA-N 2 0 267.417 1.491 10 0 CDAERP CC(C)[C@H]1CCN(C[N@H+](C)CC2CC[NH+](C)CC2)C1=O ZINC000853495464 734049439 /nfs/dbraw/zinc/04/94/39/734049439.db2.gz WDLAFTBMDDZIFL-OAHLLOKOSA-N 2 0 281.444 1.722 10 0 CDAERP Cn1nc(C(F)(F)F)cc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000925834507 734052894 /nfs/dbraw/zinc/05/28/94/734052894.db2.gz IKEOYHNMSNJOKF-RKDXNWHRSA-N 2 0 276.306 1.798 10 0 CDAERP CO[C@H]1C[C@@H](C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000708679173 734091318 /nfs/dbraw/zinc/09/13/18/734091318.db2.gz LAVDDVLLIUWJTP-XHJNMGKDSA-N 2 0 252.402 1.778 10 0 CDAERP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000841011851 734093826 /nfs/dbraw/zinc/09/38/26/734093826.db2.gz PNFKCACSWQQNJF-KGLIPLIRSA-N 2 0 270.417 1.835 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)Nc2cccc(OCC[NH3+])c2)C1 ZINC000841292043 734103310 /nfs/dbraw/zinc/10/33/10/734103310.db2.gz YCGMPFZCMZIFJF-ZDUSSCGKSA-N 2 0 292.383 1.240 10 0 CDAERP CC[C@@H](C[C@@](C)(O)CC)[NH2+]CCCN1CC[NH+](CC)CC1 ZINC000924657468 734103969 /nfs/dbraw/zinc/10/39/69/734103969.db2.gz GSGITJQLAVABIV-IRXDYDNUSA-N 2 0 299.503 1.933 10 0 CDAERP Cc1cc([C@@H]([NH3+])CC(=O)NCC2([NH3+])CCC2)cc(Cl)n1 ZINC000841849973 734124316 /nfs/dbraw/zinc/12/43/16/734124316.db2.gz RULNXPUCUXOARG-NSHDSACASA-N 2 0 296.802 1.431 10 0 CDAERP C[C@@H]([NH2+]CCC[NH3+])c1ccc(Br)nc1 ZINC000817938038 734130850 /nfs/dbraw/zinc/13/08/50/734130850.db2.gz CAZMLBLTCZGUJW-MRVPVSSYSA-N 2 0 258.163 1.844 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000850501278 734131708 /nfs/dbraw/zinc/13/17/08/734131708.db2.gz MYAVCERZTHIRKX-DZGCQCFKSA-N 2 0 293.459 1.649 10 0 CDAERP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccnnc1 ZINC000926357247 734157073 /nfs/dbraw/zinc/15/70/73/734157073.db2.gz NTBVKRGTKSUHNU-ZDUSSCGKSA-N 2 0 277.416 1.153 10 0 CDAERP [NH3+]C[C@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@H]1C(F)(F)F ZINC000872150133 734184951 /nfs/dbraw/zinc/18/49/51/734184951.db2.gz YNWGSCWYSQTSPD-WDEREUQCSA-N 2 0 265.323 1.055 10 0 CDAERP CO[C@@H]1CCC[C@@H](N2CCc3sc(C[NH3+])nc3C2)C1 ZINC000709750062 734202207 /nfs/dbraw/zinc/20/22/07/734202207.db2.gz RIBCVARVSDQQEC-GHMZBOCLSA-N 2 0 281.425 1.918 10 0 CDAERP Cc1cc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)nn1C ZINC000925835849 734205218 /nfs/dbraw/zinc/20/52/18/734205218.db2.gz XLLUILPTMCCDFU-BFHYXJOUSA-N 2 0 262.401 1.249 10 0 CDAERP CC1(C)C[C@@H]([NH2+][C@@H]2CCN(C3CCC3)C2=O)C[C@@H]([NH3+])C1 ZINC000925724993 734234942 /nfs/dbraw/zinc/23/49/42/734234942.db2.gz PCTCQIWGSATNNQ-MBNYWOFBSA-N 2 0 279.428 1.635 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC000711349099 734252520 /nfs/dbraw/zinc/25/25/20/734252520.db2.gz RRGFAPXKAXITHC-FMKPAKJESA-N 2 0 279.428 1.461 10 0 CDAERP CC(C)[N@@H+](Cc1ccccn1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923322124 734259705 /nfs/dbraw/zinc/25/97/05/734259705.db2.gz LPTFQQIEJIECEH-OAHLLOKOSA-N 2 0 275.396 1.671 10 0 CDAERP C[C@H]1C[C@H]([NH2+]Cc2ccnc(-n3cncn3)c2)CC[N@@H+]1C ZINC000866432259 734284589 /nfs/dbraw/zinc/28/45/89/734284589.db2.gz OBEAVEZPWPYCKL-GXTWGEPZSA-N 2 0 286.383 1.235 10 0 CDAERP CCO[C@H](CN[C@@H]1CCCCC[C@@H]1[NH3+])C[NH+](C)C ZINC000925838161 734293297 /nfs/dbraw/zinc/29/32/97/734293297.db2.gz KDVBOXAMJPRFJB-HZSPNIEDSA-N 2 0 257.422 1.203 10 0 CDAERP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)[C@H](C)N1CCOCC1 ZINC000925499595 734300182 /nfs/dbraw/zinc/30/01/82/734300182.db2.gz RDESUNSDPMYXOA-ZQDZILKHSA-N 2 0 283.460 1.591 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000852861589 734308422 /nfs/dbraw/zinc/30/84/22/734308422.db2.gz XBLPZZKICBJTKL-MRXNPFEDSA-N 2 0 291.439 1.773 10 0 CDAERP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](O)CCC1(O)CCC1)C2 ZINC000930600799 734311144 /nfs/dbraw/zinc/31/11/44/734311144.db2.gz BHZJFNFPCDPFIO-CVEARBPZSA-N 2 0 296.455 1.460 10 0 CDAERP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](CCCC2CC2)C1 ZINC000866712063 734326306 /nfs/dbraw/zinc/32/63/06/734326306.db2.gz QKFNJSLMKCWGJN-MELADBBJSA-N 2 0 279.384 1.044 10 0 CDAERP CO[C@H](C[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)C1CCC1 ZINC000872148355 734368736 /nfs/dbraw/zinc/36/87/36/734368736.db2.gz CFSQMDXYAQOOGD-IJLUTSLNSA-N 2 0 280.334 1.871 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CCC(C)(C)CO1 ZINC000925734020 734381330 /nfs/dbraw/zinc/38/13/30/734381330.db2.gz ZKICXSKOGXIZGU-RFQIPJPRSA-N 2 0 270.417 1.534 10 0 CDAERP C[C@@H]1CCC[N@@H+]1CCN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925624166 734385187 /nfs/dbraw/zinc/38/51/87/734385187.db2.gz VYFNXMKURHOKJF-KBXIAJHMSA-N 2 0 265.445 1.837 10 0 CDAERP CO[C@H]1CC[C@H]([NH+]2CCC(N3CCCOCC3)CC2)C1 ZINC000931286886 734385734 /nfs/dbraw/zinc/38/57/34/734385734.db2.gz YWQNVVHNGGYZNP-HOTGVXAUSA-N 2 0 282.428 1.741 10 0 CDAERP CCO[C@@H](CNCc1ccc(NC(C)=O)cc1)C[NH+](C)C ZINC000922759212 734424510 /nfs/dbraw/zinc/42/45/10/734424510.db2.gz FMGQIOKEWRYEQG-INIZCTEOSA-N 2 0 293.411 1.701 10 0 CDAERP CCC[NH2+][C@H](C)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000870991735 734433911 /nfs/dbraw/zinc/43/39/11/734433911.db2.gz GZSUSVBDRUSNQE-IUODEOHRSA-N 2 0 269.433 1.598 10 0 CDAERP CCOC(=O)[C@@H](C)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866706631 734434277 /nfs/dbraw/zinc/43/42/77/734434277.db2.gz JCTXCKQJYGSIGK-BXUZGUMPSA-N 2 0 256.390 1.635 10 0 CDAERP C[C@H](C[NH2+]CC1(O)CCCCC1)CN1CC[NH+](C)CC1 ZINC000819059380 734452736 /nfs/dbraw/zinc/45/27/36/734452736.db2.gz XMPQXEIURSXUME-OAHLLOKOSA-N 2 0 283.460 1.155 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C=C2CC[NH2+]CC2)[C@H](C)C1 ZINC000852869665 734453813 /nfs/dbraw/zinc/45/38/13/734453813.db2.gz DHHPLESWWXZYJG-HIFRSBDPSA-N 2 0 279.428 1.485 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000711241451 734472104 /nfs/dbraw/zinc/47/21/04/734472104.db2.gz WPLGHAWQBLCQAN-AWEZNQCLSA-N 2 0 281.444 1.565 10 0 CDAERP COC1CC[NH+](C(C)(C)CNC(=[NH2+])N[C@H]2C[C@@H]2C)CC1 ZINC000864458069 734485729 /nfs/dbraw/zinc/48/57/29/734485729.db2.gz JCDNLHFCLZTAQJ-AAEUAGOBSA-N 2 0 282.432 1.398 10 0 CDAERP C[C@@H](Cn1cncn1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000820808362 734488727 /nfs/dbraw/zinc/48/87/27/734488727.db2.gz DMHAXTBYZGZCEC-YPRXJGMQSA-N 2 0 275.400 1.414 10 0 CDAERP CSC[C@H](O)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000923391324 734589178 /nfs/dbraw/zinc/58/91/78/734589178.db2.gz XSGDOKJZYUFCIA-ZIAGYGMSSA-N 2 0 272.458 1.422 10 0 CDAERP C[C@H]([NH3+])CCC(=O)NCCCCC[NH+]1CCCCC1 ZINC000193314958 734601167 /nfs/dbraw/zinc/60/11/67/734601167.db2.gz JULPQJDMTUMKKM-AWEZNQCLSA-N 2 0 269.433 1.886 10 0 CDAERP Cc1cn(C(C)(C)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cn1 ZINC000864068476 734606678 /nfs/dbraw/zinc/60/66/78/734606678.db2.gz SDQSBSBAWGAOML-CYBMUJFWSA-N 2 0 292.427 1.916 10 0 CDAERP Cc1ccc(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)cn1 ZINC000850353415 734651220 /nfs/dbraw/zinc/65/12/20/734651220.db2.gz BUOBHAFVAXKIHM-HNNXBMFYSA-N 2 0 278.444 1.752 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](O)C2CCCCC2)C12CCC2 ZINC000925476247 734669477 /nfs/dbraw/zinc/66/94/77/734669477.db2.gz IJYIFQHZPMZUQW-MCIONIFRSA-N 2 0 252.402 1.787 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000925798728 734730604 /nfs/dbraw/zinc/73/06/04/734730604.db2.gz RGOWTPPLQOYCGG-RQJABVFESA-N 2 0 251.418 1.447 10 0 CDAERP Cc1c(F)nccc1C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000862409558 734754058 /nfs/dbraw/zinc/75/40/58/734754058.db2.gz VVCJWGNDSGWNIC-ZDUSSCGKSA-N 2 0 296.434 1.891 10 0 CDAERP O=C(CCC12CC(C1)C[NH2+]2)N1CCC2(C1)CC[NH2+]CC2 ZINC000870939270 734770328 /nfs/dbraw/zinc/77/03/28/734770328.db2.gz OQPIMIOOWFGYQO-UHFFFAOYSA-N 2 0 277.412 1.121 10 0 CDAERP Cn1cncc1CC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925643329 734777781 /nfs/dbraw/zinc/77/77/81/734777781.db2.gz KMPWHHGZXFKOBR-RDBSUJKOSA-N 2 0 262.401 1.329 10 0 CDAERP [NH3+][C@H]1C[C@@H]([NH2+]CCCOCC(F)(F)F)C12CCC2 ZINC000925536570 734809749 /nfs/dbraw/zinc/80/97/49/734809749.db2.gz GGMCVNGXWRBVBL-VHSXEESVSA-N 2 0 266.307 1.815 10 0 CDAERP COC[C@](C)(O)C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925614644 734828555 /nfs/dbraw/zinc/82/85/55/734828555.db2.gz ZHKLTZCMGGBJEP-RBSFLKMASA-N 2 0 270.417 1.142 10 0 CDAERP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)N2CCCC2)CCN1C ZINC000838862741 734877870 /nfs/dbraw/zinc/87/78/70/734877870.db2.gz HHWBTQWXXOGYOK-KGLIPLIRSA-N 2 0 267.417 1.413 10 0 CDAERP CC(C)[C@H]1CN(C(=O)NCC2([NH+](C)C)CC2)CC[N@@H+]1C ZINC000922981105 734881652 /nfs/dbraw/zinc/88/16/52/734881652.db2.gz HTRZKITZBVMFCW-CYBMUJFWSA-N 2 0 282.432 1.062 10 0 CDAERP C([C@@H]1CCC2(COC2)O1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000929720062 734919203 /nfs/dbraw/zinc/91/92/03/734919203.db2.gz UXFNRRFIYJDYQN-HOTGVXAUSA-N 2 0 294.439 1.742 10 0 CDAERP COC(=O)C1=CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000863541891 734932120 /nfs/dbraw/zinc/93/21/20/734932120.db2.gz LXUVJZNKIRPNSL-FKJOKYEKSA-N 2 0 250.342 1.121 10 0 CDAERP O=C1OCC[C@H]1CCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000872113025 734960492 /nfs/dbraw/zinc/96/04/92/734960492.db2.gz FNVHDOIWVUGIBL-CQSZACIVSA-N 2 0 280.412 1.794 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC000848293452 734962543 /nfs/dbraw/zinc/96/25/43/734962543.db2.gz MOONILMXTGMOJX-GASCZTMLSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H]1CC2(C[N@@H+]1CCO[C@H]1CCOC1)CC[NH2+]CC2 ZINC000923384085 734968109 /nfs/dbraw/zinc/96/81/09/734968109.db2.gz SCHBUCGQZPXAQQ-KBPBESRZSA-N 2 0 268.401 1.256 10 0 CDAERP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H](O)C[C@](C)(O)C2CC2)CC1 ZINC000872201294 734994065 /nfs/dbraw/zinc/99/40/65/734994065.db2.gz VPSXSGXIDPRMOA-RDJZCZTQSA-N 2 0 298.471 1.751 10 0 CDAERP Cc1cc(NC(=O)CC[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)no1 ZINC000923498301 735000988 /nfs/dbraw/zinc/00/09/88/735000988.db2.gz OAYQIRMTPMHCLT-CMPLNLGQSA-N 2 0 280.372 1.228 10 0 CDAERP CC(=O)NCCCCC[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000929991551 735009745 /nfs/dbraw/zinc/00/97/45/735009745.db2.gz GRVFOXPOPIRNQD-CQSZACIVSA-N 2 0 278.400 1.896 10 0 CDAERP CCCOC(=O)[C@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000843387890 735015894 /nfs/dbraw/zinc/01/58/94/735015894.db2.gz XUACTCDBVOWJLB-RWMBFGLXSA-N 2 0 254.374 1.260 10 0 CDAERP Cc1ncc([C@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c(C)n1 ZINC000925797587 735046022 /nfs/dbraw/zinc/04/60/22/735046022.db2.gz IHJOGCCZAWNUGH-UHIISALHSA-N 2 0 262.401 1.990 10 0 CDAERP C([C@@H]1C[C@H]2COC[C@@H]2O1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000929277884 735050986 /nfs/dbraw/zinc/05/09/86/735050986.db2.gz XAPRGGPCTGOITE-ULQDDVLXSA-N 2 0 294.439 1.598 10 0 CDAERP CCCCOC[C@@H](O)C[NH+]1CCC(C[NH2+]CC)CC1 ZINC000227911325 735074392 /nfs/dbraw/zinc/07/43/92/735074392.db2.gz JGGAXTPEQLEJCM-HNNXBMFYSA-N 2 0 272.433 1.486 10 0 CDAERP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)[C@H]1CCCOC1 ZINC000723967553 735094738 /nfs/dbraw/zinc/09/47/38/735094738.db2.gz CRXSUJUFNXJDDD-ZNMIVQPWSA-N 2 0 270.417 1.238 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]CCc2cc(C)n(C)n2)[C@@H](C)C1 ZINC000926916066 735130953 /nfs/dbraw/zinc/13/09/53/735130953.db2.gz UPWFWLMDNZDRCV-WFASDCNBSA-N 2 0 264.417 1.591 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cc(F)ncc2F)C1 ZINC000848923515 735146534 /nfs/dbraw/zinc/14/65/34/735146534.db2.gz MBJYIDMDIXIWJX-JGZJWPJOSA-N 2 0 255.312 1.790 10 0 CDAERP CN(CCCCCC[NH3+])C(=O)C12CCC[NH+](CCC1)C2 ZINC000710693356 735147107 /nfs/dbraw/zinc/14/71/07/735147107.db2.gz VMSUETCLZYKKBM-UHFFFAOYSA-N 2 0 281.444 1.840 10 0 CDAERP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(Cl)nc1 ZINC000925815435 735149133 /nfs/dbraw/zinc/14/91/33/735149133.db2.gz QTEOUBWLGHRHGL-NSHDSACASA-N 2 0 282.819 1.809 10 0 CDAERP C[C@H](CNC(=[NH2+])NCCc1cccs1)C[NH+](C)C ZINC000849030803 735156773 /nfs/dbraw/zinc/15/67/73/735156773.db2.gz XTQREXZOIRPRIB-LLVKDONJSA-N 2 0 268.430 1.602 10 0 CDAERP C[NH+](C)CCOCC[NH2+][C@H](C1CCC1)[C@@H]1CCOC1 ZINC000926253657 735173256 /nfs/dbraw/zinc/17/32/56/735173256.db2.gz HEIZIOBZXOVJSM-HUUCEWRRSA-N 2 0 270.417 1.359 10 0 CDAERP CCO[C@@H](CN[C@H](C)[C@H]1CCCC[NH2+]1)C[NH+](C)C ZINC000925837632 735176106 /nfs/dbraw/zinc/17/61/06/735176106.db2.gz RVSCRMNFFBQHHR-HZSPNIEDSA-N 2 0 257.422 1.073 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCN(CCC[NH2+]C2CC2)C1 ZINC000923327199 735193925 /nfs/dbraw/zinc/19/39/25/735193925.db2.gz QNFRXPPQPZJSJQ-CQSZACIVSA-N 2 0 253.434 1.792 10 0 CDAERP C[NH+](C)CCCCC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928095576 735194731 /nfs/dbraw/zinc/19/47/31/735194731.db2.gz OGBUATWOXXWRQI-KGLIPLIRSA-N 2 0 299.484 1.414 10 0 CDAERP CC(C)COC(=O)N1CCC([NH2+]CC23CC(C2)C[NH2+]3)CC1 ZINC000853246604 735195333 /nfs/dbraw/zinc/19/53/33/735195333.db2.gz NGBCZLUKIUAKTN-UHFFFAOYSA-N 2 0 295.427 1.585 10 0 CDAERP C[N@H+](CCOCC[NH3+])C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000721476610 735236403 /nfs/dbraw/zinc/23/64/03/735236403.db2.gz DQPDPTVUVJKHHD-NXEZZACHSA-N 2 0 270.295 1.003 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@](C)(O)c1ccccc1 ZINC000817914054 735278882 /nfs/dbraw/zinc/27/88/82/735278882.db2.gz TUQGDCHMZYLEHO-GJZGRUSLSA-N 2 0 266.385 1.238 10 0 CDAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000871153184 735580635 /nfs/dbraw/zinc/58/06/35/735580635.db2.gz AWEZZJBQTFBULA-KBPBESRZSA-N 2 0 281.444 1.802 10 0 CDAERP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000926573102 735599499 /nfs/dbraw/zinc/59/94/99/735599499.db2.gz KEKOFHVSCFUCFL-BARDWOONSA-N 2 0 254.418 1.979 10 0 CDAERP C[N@@H+]1CCN(C(=O)C[C@@H]2CCC[NH2+]C2)CCC1(C)C ZINC000712683442 735623162 /nfs/dbraw/zinc/62/31/62/735623162.db2.gz FQGJUKKLTZKOSF-ZDUSSCGKSA-N 2 0 267.417 1.319 10 0 CDAERP Cn1nc2c(c1C[NH2+]CCCC[NH+](C)C)CCC2 ZINC000921617605 735685384 /nfs/dbraw/zinc/68/53/84/735685384.db2.gz PSLNAWUQSMTZQZ-UHFFFAOYSA-N 2 0 250.390 1.340 10 0 CDAERP CSC[C@H](O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000923328732 735692039 /nfs/dbraw/zinc/69/20/39/735692039.db2.gz NGBIKQMWXHPZHQ-JHJVBQTASA-N 2 0 258.431 1.174 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2cccnc2N)C1 ZINC000866710306 735695982 /nfs/dbraw/zinc/69/59/82/735695982.db2.gz XWFGZDWTUBMBMX-HNNXBMFYSA-N 2 0 262.401 1.861 10 0 CDAERP C[C@@H]1CC[N@H+](CCc2ccc(C(N)=O)cc2)C[C@@H]1C[NH3+] ZINC000866666499 735845335 /nfs/dbraw/zinc/84/53/35/735845335.db2.gz QVLZDXNOTYRSDK-DOMZBBRYSA-N 2 0 275.396 1.245 10 0 CDAERP CC1CC[NH+](CCCNC(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000091540532 735859301 /nfs/dbraw/zinc/85/93/01/735859301.db2.gz KUCOLPDOOXDSDK-KBPBESRZSA-N 2 0 267.417 1.352 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000925803138 735871511 /nfs/dbraw/zinc/87/15/11/735871511.db2.gz MLECVDKKESBLPC-AVRGHOLYSA-N 3 0 259.397 1.966 10 0 CDAERP NC(=O)c1ccc(CC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000866717504 736119740 /nfs/dbraw/zinc/11/97/40/736119740.db2.gz GUALSCVKIGFLGO-CVEARBPZSA-N 2 0 287.407 1.402 10 0 CDAERP CC(C)NC(=O)CC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925594546 736229240 /nfs/dbraw/zinc/22/92/40/736229240.db2.gz NSCONOVPNNHBKY-LSDHHAIUSA-N 2 0 281.444 1.659 10 0 CDAERP CC(C)([NH3+])CCC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000843474650 736328265 /nfs/dbraw/zinc/32/82/65/736328265.db2.gz UOKKRQSETOXCIS-CQSZACIVSA-N 2 0 253.390 1.106 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC=C(Cl)Cl ZINC001403145861 976762214 /nfs/dbraw/zinc/76/22/14/976762214.db2.gz VKMJOCVEXSUCFO-UWVGGRQHSA-N 2 0 294.226 1.351 10 0 CDAERP CCCCC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001496757734 1167768357 /nfs/dbraw/zinc/76/83/57/1167768357.db2.gz GMZUUWVUWFLLIB-CQSZACIVSA-N 2 0 269.433 1.661 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)CC1CCC1 ZINC001566543280 1168331096 /nfs/dbraw/zinc/33/10/96/1168331096.db2.gz MEPOJWZMNPDNKE-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001567135641 1168589613 /nfs/dbraw/zinc/58/96/13/1168589613.db2.gz LQHVGYTXGWHOBS-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CCCOC(C)C)C1)[NH+](C)C ZINC001266353417 894521233 /nfs/dbraw/zinc/52/12/33/894521233.db2.gz VFCXVPJDIDDKRC-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)[N@H+](CCF)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001267307824 897551616 /nfs/dbraw/zinc/55/16/16/897551616.db2.gz IZHVLPWVHBATIM-CYBMUJFWSA-N 2 0 273.396 1.267 10 0 CDAERP C(C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)O[C@@H]1CCOC1 ZINC000724949484 897567173 /nfs/dbraw/zinc/56/71/73/897567173.db2.gz SEWZJTFLSVRHAN-HZPDHXFCSA-N 2 0 282.428 1.504 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001480934793 897702652 /nfs/dbraw/zinc/70/26/52/897702652.db2.gz GVRJPAGDFKPKDY-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CCCC[NH2+]CCN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001267454904 897928166 /nfs/dbraw/zinc/92/81/66/897928166.db2.gz JNUNQACIQCOQGG-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CN(CC[NH2+]CCCC(C)(C)C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001267470127 898079039 /nfs/dbraw/zinc/07/90/39/898079039.db2.gz UFSPFCADFOJENH-AWEZNQCLSA-N 2 0 283.460 1.812 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)CC[NH2+]CC1CC1)[NH+]1CCCC1 ZINC001267473423 898093354 /nfs/dbraw/zinc/09/33/54/898093354.db2.gz FZBVNTZTJHHJIM-HNNXBMFYSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)[N@H+](C)C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001267703865 899325518 /nfs/dbraw/zinc/32/55/18/899325518.db2.gz YAZNJJQYUYUIJB-HNNXBMFYSA-N 2 0 283.460 1.907 10 0 CDAERP CC(C)[N@H+](C)C[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001267703866 899327118 /nfs/dbraw/zinc/32/71/18/899327118.db2.gz YAZNJJQYUYUIJB-OAHLLOKOSA-N 2 0 283.460 1.907 10 0 CDAERP C[N@H+](CCN1CC[NH2+]CC1)CC1CCC2(CC2)CC1 ZINC000695617414 899612326 /nfs/dbraw/zinc/61/23/26/899612326.db2.gz GIRSPODKOOCTAT-UHFFFAOYSA-N 2 0 265.445 1.794 10 0 CDAERP Cc1ncc(C[NH2+]CCN(C)C(=O)[C@@H]2CCCC[N@@H+]2C)o1 ZINC001481247291 899639481 /nfs/dbraw/zinc/63/94/81/899639481.db2.gz MZXSIUKCXDERFG-AWEZNQCLSA-N 2 0 294.399 1.015 10 0 CDAERP CCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001267984665 900192026 /nfs/dbraw/zinc/19/20/26/900192026.db2.gz DKVQFWOTBSUSKW-KGLIPLIRSA-N 2 0 269.433 1.611 10 0 CDAERP CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[N@H+](C)C(C)C ZINC001268293739 901769118 /nfs/dbraw/zinc/76/91/18/901769118.db2.gz GXLFSENZCAFFIW-KGLIPLIRSA-N 2 0 269.433 1.611 10 0 CDAERP CCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001481783204 902130916 /nfs/dbraw/zinc/13/09/16/902130916.db2.gz VZUIAJLNZOGCSN-OAHLLOKOSA-N 2 0 281.444 1.659 10 0 CDAERP CC[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CCC1CC1 ZINC001481812677 902166412 /nfs/dbraw/zinc/16/64/12/902166412.db2.gz RGKOZICLJLBJCB-HOTGVXAUSA-N 2 0 293.455 1.613 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCC(C)C ZINC001481874593 902249429 /nfs/dbraw/zinc/24/94/29/902249429.db2.gz HNBUFQNWRXEJHL-ZIAGYGMSSA-N 2 0 269.433 1.469 10 0 CDAERP CCN(CC[NH2+]C/C=C\Cl)C(=O)C[NH+]1CCCC1 ZINC001268497450 902389520 /nfs/dbraw/zinc/38/95/20/902389520.db2.gz AJCUENSQTDRKOL-WAYWQWQTSA-N 2 0 273.808 1.273 10 0 CDAERP CCN(CC[NH2+]CCCF)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001268500294 902410015 /nfs/dbraw/zinc/41/00/15/902410015.db2.gz VUCSVWKIVMCYJZ-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP CC[NH2+]CC[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001481981876 902430709 /nfs/dbraw/zinc/43/07/09/902430709.db2.gz AJONMKODWZKJCD-CYBMUJFWSA-N 2 0 255.406 1.176 10 0 CDAERP CC1CC(C[NH2+]C/C=C\CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001268614794 902825462 /nfs/dbraw/zinc/82/54/62/902825462.db2.gz YRTNSVJIUNQDOR-IHWYPQMZSA-N 2 0 291.439 1.390 10 0 CDAERP C[C@H](C[NH2+]CCCF)NC(=O)C[NH+]1CCC(C)CC1 ZINC001268667785 902923686 /nfs/dbraw/zinc/92/36/86/902923686.db2.gz WSKAOZLYEBKVEI-CYBMUJFWSA-N 2 0 273.396 1.172 10 0 CDAERP Cc1cc(C[NH2+]CCCN(C)C(=O)[C@H]2CCC[N@@H+]2C)on1 ZINC001268782887 903125381 /nfs/dbraw/zinc/12/53/81/903125381.db2.gz GGLJSJGGQRMEGM-CQSZACIVSA-N 2 0 294.399 1.015 10 0 CDAERP CN(CCC[NH2+]C/C=C/Cl)C(=O)C[N@H+](C)C1CCC1 ZINC001268797124 903139837 /nfs/dbraw/zinc/13/98/37/903139837.db2.gz FWQJTGAXBJDBGE-XBXARRHUSA-N 2 0 287.835 1.661 10 0 CDAERP CC[C@@H](C(=O)N(C)CCC[NH2+]CC(C)C)[NH+](C)C ZINC001268852477 903180664 /nfs/dbraw/zinc/18/06/64/903180664.db2.gz ONMHPFYYCIYTBA-ZDUSSCGKSA-N 2 0 257.422 1.421 10 0 CDAERP C[NH+](C)CCC(=O)NC1C[NH+](CC2CCCCC2)C1 ZINC001567804809 1168983646 /nfs/dbraw/zinc/98/36/46/1168983646.db2.gz CSYVTVLOVLDGSW-UHFFFAOYSA-N 2 0 267.417 1.319 10 0 CDAERP O=C(N[C@H](C[NH2+]C/C=C/Cl)C1CC1)C12CC[NH+](CC1)C2 ZINC001269134622 903461368 /nfs/dbraw/zinc/46/13/68/903461368.db2.gz BYXFSBDYCPTNTA-WZIBOORMSA-N 2 0 297.830 1.319 10 0 CDAERP CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001362618297 903889470 /nfs/dbraw/zinc/88/94/70/903889470.db2.gz SHGQJHZLQQMHJK-HIFRSBDPSA-N 2 0 281.444 1.659 10 0 CDAERP CC[NH2+]C1(CNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001269544495 903913176 /nfs/dbraw/zinc/91/31/76/903913176.db2.gz ISLMVLFSSFHDML-UHFFFAOYSA-N 2 0 267.417 1.511 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)NC1(C[NH2+]CCCF)CCCC1 ZINC001269566792 903934045 /nfs/dbraw/zinc/93/40/45/903934045.db2.gz GHPOEWFZQZPSLF-AWEZNQCLSA-N 2 0 299.434 1.849 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CCC1CC1)[NH+](C)C ZINC001270166408 904410147 /nfs/dbraw/zinc/41/01/47/904410147.db2.gz WBPQSCCDNHIZDS-HUUCEWRRSA-N 2 0 281.444 1.707 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001270211006 904447221 /nfs/dbraw/zinc/44/72/21/904447221.db2.gz JFIOCOHWUGKEMA-MGPQQGTHSA-N 2 0 267.417 1.317 10 0 CDAERP CC(C)[NH2+]C[C@H](C)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001482296475 904723065 /nfs/dbraw/zinc/72/30/65/904723065.db2.gz JZUOXLLPLBIVSI-KBPBESRZSA-N 2 0 269.433 1.706 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+]CC1CCC1 ZINC001270602019 904778482 /nfs/dbraw/zinc/77/84/82/904778482.db2.gz AFRSGWFLMODOBI-ZDUSSCGKSA-N 2 0 269.433 1.469 10 0 CDAERP CCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001501083142 905170726 /nfs/dbraw/zinc/17/07/26/905170726.db2.gz DWDCEIWZVVYBIB-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001482427560 905366766 /nfs/dbraw/zinc/36/67/66/905366766.db2.gz BPIIBCXCYBSFKG-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001271839908 906883162 /nfs/dbraw/zinc/88/31/62/906883162.db2.gz UPLRZLCRTIRFJT-MCIONIFRSA-N 2 0 269.433 1.467 10 0 CDAERP CC(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001482533401 906884646 /nfs/dbraw/zinc/88/46/46/906884646.db2.gz YNFUDGPLQJWOAT-KFWWJZLASA-N 2 0 283.460 1.713 10 0 CDAERP CC/C=C\CC[N@H+](C)CCN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001482588224 907485891 /nfs/dbraw/zinc/48/58/91/907485891.db2.gz OYRZVFQUAQLDGZ-IDTUSYRASA-N 2 0 297.443 1.064 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC1CCC1 ZINC001482687570 908287352 /nfs/dbraw/zinc/28/73/52/908287352.db2.gz CVOHRRKFEOGAIV-GJZGRUSLSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@@H](CC[NH2+]C[C@H]1CCCCO1)NC(=O)Cc1c[nH]cn1 ZINC001482874488 908452637 /nfs/dbraw/zinc/45/26/37/908452637.db2.gz YFGANFJRNNXSGP-GXTWGEPZSA-N 2 0 294.399 1.006 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000713045495 909601656 /nfs/dbraw/zinc/60/16/56/909601656.db2.gz UVLQQMIYRZEHPQ-NEPJUHHUSA-N 2 0 255.406 1.206 10 0 CDAERP O=C1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CN1CC1CC1 ZINC000716770739 910684813 /nfs/dbraw/zinc/68/48/13/910684813.db2.gz BTDMTDSPDHFYGB-SOUVJXGZSA-N 2 0 277.412 1.214 10 0 CDAERP CCC[NH2+]CCC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001568097150 1169134298 /nfs/dbraw/zinc/13/42/98/1169134298.db2.gz YADQQGBQFXSGRC-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP CCC[NH2+]C[C@]1(C)CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001484099965 915435468 /nfs/dbraw/zinc/43/54/68/915435468.db2.gz BGOIPHAVULDUCI-INIZCTEOSA-N 2 0 293.455 1.853 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@](C)(CNC(=O)Cn2ccnc2)C1 ZINC001484175270 915492485 /nfs/dbraw/zinc/49/24/85/915492485.db2.gz ORAQCRFZGZIGNL-HNNXBMFYSA-N 2 0 278.400 1.510 10 0 CDAERP CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001484523918 915855399 /nfs/dbraw/zinc/85/53/99/915855399.db2.gz XBUGEVBVZCCTQU-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC(C)([NH2+]CCF)CC1 ZINC001484927102 916271479 /nfs/dbraw/zinc/27/14/79/916271479.db2.gz MOLLWCRMXYRZIW-UHFFFAOYSA-N 2 0 273.396 1.268 10 0 CDAERP CC(C)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001484926975 916274470 /nfs/dbraw/zinc/27/44/70/916274470.db2.gz FDCCFBOEVVENQF-CQSZACIVSA-N 2 0 281.444 1.565 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001485041546 916404089 /nfs/dbraw/zinc/40/40/89/916404089.db2.gz SUVFIQJNLSPFIJ-HNNXBMFYSA-N 2 0 281.444 1.853 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC1CC1 ZINC001485388990 916940649 /nfs/dbraw/zinc/94/06/49/916940649.db2.gz PUOFYPAVINBPJZ-ZFWWWQNUSA-N 2 0 281.444 1.707 10 0 CDAERP CC[NH2+]CC1(NC(=O)[C@@H]2CCC[N@@H+]2C)CCCCC1 ZINC001485448058 916982899 /nfs/dbraw/zinc/98/28/99/916982899.db2.gz JEJBWABRIHHQEI-ZDUSSCGKSA-N 2 0 267.417 1.509 10 0 CDAERP CCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001495814141 936387816 /nfs/dbraw/zinc/38/78/16/936387816.db2.gz OIAHLORUUJVZSE-KBPBESRZSA-N 2 0 269.433 1.613 10 0 CDAERP CC(C)[N@@H+]1C[C@@]2(C)CN(C(=O)CCC[NH+](C)C)C[C@@]2(C)C1 ZINC001485668786 917162971 /nfs/dbraw/zinc/16/29/71/917162971.db2.gz FWPQYXHYELBPNL-CALCHBBNSA-N 2 0 295.471 1.907 10 0 CDAERP C[C@H](CC[NH2+]CC1CCC1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001272780830 919266982 /nfs/dbraw/zinc/26/69/82/919266982.db2.gz BZBLTDUYEULNHE-CZUORRHYSA-N 2 0 293.455 1.613 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCF ZINC001485892933 920552318 /nfs/dbraw/zinc/55/23/18/920552318.db2.gz HSKPRLAFXKAODS-KGLIPLIRSA-N 2 0 287.423 1.513 10 0 CDAERP CCN(CC[NH2+]Cc1ccns1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001273546346 920621245 /nfs/dbraw/zinc/62/12/45/920621245.db2.gz MLGUEQNUQMRJCQ-CYBMUJFWSA-N 2 0 296.440 1.175 10 0 CDAERP CCCC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001486092718 920692251 /nfs/dbraw/zinc/69/22/51/920692251.db2.gz GWICZNGJKARYNU-UONOGXRCSA-N 2 0 279.428 1.461 10 0 CDAERP CC(C)N(CC[N@H+](C)C(C)C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001486370526 920950299 /nfs/dbraw/zinc/95/02/99/920950299.db2.gz XWIUFDUQLPWHAD-INIZCTEOSA-N 2 0 295.471 1.905 10 0 CDAERP CC(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001486391030 920977332 /nfs/dbraw/zinc/97/73/32/920977332.db2.gz QGPWCHIZJWDIJU-KBPBESRZSA-N 2 0 283.460 1.857 10 0 CDAERP C[C@H](CC[NH2+]Cc1cccnc1)NC(=O)C[NH+]1CCCC1 ZINC001273182701 923893280 /nfs/dbraw/zinc/89/32/80/923893280.db2.gz BWGZEROMTXEWEQ-CQSZACIVSA-N 2 0 290.411 1.162 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccsc1)[NH+](C)C ZINC001491494928 936924176 /nfs/dbraw/zinc/92/41/76/936924176.db2.gz JEIRWRCCKGRPRE-DGCLKSJQSA-N 2 0 283.441 1.683 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1ccsc1)[NH+](C)C ZINC001491494929 936924412 /nfs/dbraw/zinc/92/44/12/936924412.db2.gz JEIRWRCCKGRPRE-WCQYABFASA-N 2 0 283.441 1.683 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]CCF ZINC001568391148 1169270124 /nfs/dbraw/zinc/27/01/24/1169270124.db2.gz YIEAOKQJNSWBTG-ZIAGYGMSSA-N 2 0 285.407 1.411 10 0 CDAERP CC/C=C/CC[NH2+]CCN(CC)C(=O)C12CC[NH+](CC1)C2 ZINC001273710588 924789706 /nfs/dbraw/zinc/78/97/06/924789706.db2.gz ZVAKHTJCNRQXPV-AATRIKPKSA-N 2 0 293.455 1.877 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@@H]1[C@H]2C[NH+](CC3CC3)C[C@H]21 ZINC001410124245 925104563 /nfs/dbraw/zinc/10/45/63/925104563.db2.gz QQDIRZKWMAJKEF-QKDCVEJESA-N 2 0 279.428 1.032 10 0 CDAERP C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]CC[C@H](C)F ZINC001410491386 925821424 /nfs/dbraw/zinc/82/14/24/925821424.db2.gz LJNFVFKHQIZBHO-QWHCGFSZSA-N 2 0 285.407 1.267 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001488656409 926640269 /nfs/dbraw/zinc/64/02/69/926640269.db2.gz XCFGQFUPQGKMRH-ZDUSSCGKSA-N 2 0 255.406 1.127 10 0 CDAERP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1[N@H+](CCCF)CC2 ZINC001410884379 926723455 /nfs/dbraw/zinc/72/34/55/926723455.db2.gz BDVCXBJGJAFAQC-HIFRSBDPSA-N 2 0 285.407 1.411 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC[N@@H+]1CC ZINC001489133765 926803766 /nfs/dbraw/zinc/80/37/66/926803766.db2.gz WQFYZSCZYASFAY-BFHYXJOUSA-N 2 0 269.433 1.562 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CC[NH2+]CC2CC2)CC1 ZINC001495403413 927289996 /nfs/dbraw/zinc/28/99/96/927289996.db2.gz LWIVUNPHDMOFRQ-MRXNPFEDSA-N 2 0 293.455 1.709 10 0 CDAERP COC[C@H](C)[NH+]1CCC([C@H](C)NC(=O)CC[NH+](C)C)CC1 ZINC001411240581 927293586 /nfs/dbraw/zinc/29/35/86/927293586.db2.gz ZHMJZCHVRKOIGY-KBPBESRZSA-N 2 0 299.459 1.190 10 0 CDAERP COCC[C@](C)(O)C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693740229 937251551 /nfs/dbraw/zinc/25/15/51/937251551.db2.gz XNGPJHGSAGEALP-COMQUAJESA-N 2 0 270.417 1.140 10 0 CDAERP Cc1cccnc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC001116529217 937453716 /nfs/dbraw/zinc/45/37/16/937453716.db2.gz OBXBBOACOWONIP-UHFFFAOYSA-N 2 0 263.385 1.592 10 0 CDAERP CCC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001274741308 931564475 /nfs/dbraw/zinc/56/44/75/931564475.db2.gz MGBJSWNTWURHRE-QWHCGFSZSA-N 2 0 255.406 1.365 10 0 CDAERP CC(C)[NH+]1CCC(N(C)C(=O)CC2CC([NH3+])C2)CC1 ZINC000718137508 931595953 /nfs/dbraw/zinc/59/59/53/931595953.db2.gz LPMFFUBLOFEJGE-UHFFFAOYSA-N 2 0 267.417 1.445 10 0 CDAERP CC(C)OCCC[NH2+]C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001321969654 931656386 /nfs/dbraw/zinc/65/63/86/931656386.db2.gz WLEGFYDETDZVHH-AWEZNQCLSA-N 2 0 299.459 1.238 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H](CC[NH2+]CCF)C1 ZINC001326290766 932167518 /nfs/dbraw/zinc/16/75/18/932167518.db2.gz QEKYQECKEKCYPE-LSDHHAIUSA-N 2 0 299.434 1.659 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH2+]CC2CCC2)CC[N@@H+]1C ZINC001276010937 932233620 /nfs/dbraw/zinc/23/36/20/932233620.db2.gz CEHMGLWNKZTXNH-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@]1(C(F)(F)F)CCCN1 ZINC000925855037 932947367 /nfs/dbraw/zinc/94/73/67/932947367.db2.gz NPIXMSKGQBKPIX-IVZWLZJFSA-N 2 0 253.312 1.386 10 0 CDAERP C[C@H](Cn1cccn1)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC001119629734 937741318 /nfs/dbraw/zinc/74/13/18/937741318.db2.gz SZQACGBYWFWCSE-MNOVXSKESA-N 2 0 258.316 1.106 10 0 CDAERP CO[C@H]1CCC[C@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000687372769 934284993 /nfs/dbraw/zinc/28/49/93/934284993.db2.gz UQOUMTIUUYQAQF-KGLIPLIRSA-N 2 0 269.433 1.170 10 0 CDAERP CCOCC[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001329589850 940464321 /nfs/dbraw/zinc/46/43/21/940464321.db2.gz SUGNPBVRPMTQQY-OAHLLOKOSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH2+]CC1 ZINC000400654362 940853364 /nfs/dbraw/zinc/85/33/64/940853364.db2.gz QNUDOLFDOSRAKB-LBPRGKRZSA-N 2 0 296.436 1.568 10 0 CDAERP [NH3+][C@H]1C[C@@H](NCC[NH+]2CCCCCC2)C12CCC2 ZINC000405352516 940984956 /nfs/dbraw/zinc/98/49/56/940984956.db2.gz PBVQKWJPIYQPJO-UONOGXRCSA-N 2 0 251.418 1.722 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC2CC[NH+](C)CC2)C1 ZINC001362013950 970776237 /nfs/dbraw/zinc/77/62/37/970776237.db2.gz ZLZSFLXVEBVQJJ-GJZGRUSLSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)=CC[NH+]1CC([C@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001330040776 941539412 /nfs/dbraw/zinc/53/94/12/941539412.db2.gz XKDHMZAVCRXDCC-AWEZNQCLSA-N 2 0 293.455 1.731 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H](C[NH2+]CCF)C1 ZINC001276995996 941790478 /nfs/dbraw/zinc/79/04/78/941790478.db2.gz RBZLADNYJVWZKB-MGPQQGTHSA-N 2 0 285.407 1.315 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC001362101173 970887255 /nfs/dbraw/zinc/88/72/55/970887255.db2.gz AJWITZNZNHAQGC-GFCCVEGCSA-N 2 0 287.367 1.794 10 0 CDAERP C[NH+](C)CC1(C(=O)NCC2=CCN(CCF)CC2)CC1 ZINC001279621642 942396955 /nfs/dbraw/zinc/39/69/55/942396955.db2.gz JIQRIYWWHPOLGS-UHFFFAOYSA-N 2 0 283.391 1.046 10 0 CDAERP CCN(CC[NH2+]CCF)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001568800384 1169481370 /nfs/dbraw/zinc/48/13/70/1169481370.db2.gz IIIGQXOOJHUGLQ-AWEZNQCLSA-N 2 0 287.423 1.514 10 0 CDAERP CCN(CC[NH2+]CC1CCCC1)C(=O)C[N@H+](C)C(C)C ZINC001568800260 1169481547 /nfs/dbraw/zinc/48/15/47/1169481547.db2.gz FVJPGVKLSBNYNW-UHFFFAOYSA-N 2 0 283.460 1.955 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCC3CC3)C2)C1 ZINC001283102300 942822658 /nfs/dbraw/zinc/82/26/58/942822658.db2.gz JQOMMZIXFSOYCA-KKUMJFAQSA-N 2 0 279.428 1.223 10 0 CDAERP CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@H]21 ZINC001284101687 943077683 /nfs/dbraw/zinc/07/76/83/943077683.db2.gz KPPCHTZQJFLFBG-BZUAXINKSA-N 2 0 295.471 1.955 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]CCF)C(C)(C)C)C1 ZINC001284652027 943234341 /nfs/dbraw/zinc/23/43/41/943234341.db2.gz DCYBBBUSCRTGSC-RYUDHWBXSA-N 2 0 273.396 1.028 10 0 CDAERP CC(C)[N@H+]1CC=C(CNC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001284977306 943306793 /nfs/dbraw/zinc/30/67/93/943306793.db2.gz UFMRKXZCOSTQLK-HNNXBMFYSA-N 2 0 279.428 1.485 10 0 CDAERP CC(C)[C@H](C(=O)NCCC[N@H+](C)CCF)[NH+]1CCCC1 ZINC001265072688 944221318 /nfs/dbraw/zinc/22/13/18/944221318.db2.gz BUUPSTJECSABKK-CQSZACIVSA-N 2 0 287.423 1.514 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001265317250 944343081 /nfs/dbraw/zinc/34/30/81/944343081.db2.gz LWDCYBUKPAAQFR-ZIAGYGMSSA-N 2 0 267.417 1.319 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CCCF)C1 ZINC001265613957 944447506 /nfs/dbraw/zinc/44/75/06/944447506.db2.gz ZOPXXNCQPFTCQL-LSDHHAIUSA-N 2 0 299.434 1.659 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H](C[NH2+]CCF)C2)C1 ZINC001265624248 944450590 /nfs/dbraw/zinc/45/05/90/944450590.db2.gz OLXVEECBJTZRAK-UONOGXRCSA-N 2 0 285.407 1.126 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+]CCF ZINC001265689750 944471422 /nfs/dbraw/zinc/47/14/22/944471422.db2.gz JNUNYKIBRBGGLG-ZDUSSCGKSA-N 2 0 273.396 1.268 10 0 CDAERP CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+](C)C(C)C)C1 ZINC001265708920 944476191 /nfs/dbraw/zinc/47/61/91/944476191.db2.gz VYKKKZVXLVEHSL-KBPBESRZSA-N 2 0 269.433 1.563 10 0 CDAERP CC/C=C\CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC001265726458 944479983 /nfs/dbraw/zinc/47/99/83/944479983.db2.gz STROHOIGEAWVTI-PHIGIYSMSA-N 2 0 291.439 1.485 10 0 CDAERP CC(C)C[NH2+][C@H](C)CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001265856572 944543906 /nfs/dbraw/zinc/54/39/06/944543906.db2.gz QRXJLDWDGMVUEU-HIFRSBDPSA-N 2 0 267.417 1.223 10 0 CDAERP CCCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001266155005 944721523 /nfs/dbraw/zinc/72/15/23/944721523.db2.gz IMLLJKVKBQVILW-KBPBESRZSA-N 2 0 269.433 1.755 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1CC ZINC001479641109 971355720 /nfs/dbraw/zinc/35/57/20/971355720.db2.gz MKZBPESLVRPIDK-SOUVJXGZSA-N 2 0 283.460 1.953 10 0 CDAERP CC[NH2+][C@H]1CCCCCN(C(=O)CCC[NH+](C)C)C1 ZINC001479691396 971366974 /nfs/dbraw/zinc/36/69/74/971366974.db2.gz CJARYVVNJDPPAD-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP CCC[N@H+](CCCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001479879707 971458307 /nfs/dbraw/zinc/45/83/07/971458307.db2.gz HUNVSZCTQPGDPF-UHFFFAOYSA-N 2 0 267.417 1.463 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001479955769 971508028 /nfs/dbraw/zinc/50/80/28/971508028.db2.gz FBKZBNIZALGGIC-UONOGXRCSA-N 2 0 267.417 1.461 10 0 CDAERP CCC(CC)C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001480173634 971612688 /nfs/dbraw/zinc/61/26/88/971612688.db2.gz LSSDAOQDCUEOCD-SHTZXODSSA-N 2 0 283.460 2.000 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+](C(C)C)C1 ZINC001362786736 971619602 /nfs/dbraw/zinc/61/96/02/971619602.db2.gz PTCJRPMWDJMNSN-LSDHHAIUSA-N 2 0 283.460 1.952 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCCCCF)C1 ZINC001480211391 971630112 /nfs/dbraw/zinc/63/01/12/971630112.db2.gz RJZCUJXXPCTBHU-ZNMIVQPWSA-N 2 0 299.434 1.847 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1C[C@@H]([NH+](C)C)C1(C)C)[NH+](CC)CC ZINC001362825482 971646697 /nfs/dbraw/zinc/64/66/97/971646697.db2.gz HANUTXSAULHQPF-MGPQQGTHSA-N 2 0 283.460 1.952 10 0 CDAERP COCC[NH2+]C[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001480288476 971660057 /nfs/dbraw/zinc/66/00/57/971660057.db2.gz QCESVEVPNBGKMS-CABCVRRESA-N 2 0 299.459 1.047 10 0 CDAERP CCCCC[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001480487177 971750864 /nfs/dbraw/zinc/75/08/64/971750864.db2.gz SVAGZAKFGQEKQC-ZIAGYGMSSA-N 2 0 269.433 1.755 10 0 CDAERP CC[C@@H](F)C[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001480596204 971800327 /nfs/dbraw/zinc/80/03/27/971800327.db2.gz JGLPLDOMVRKPKH-NWDGAFQWSA-N 2 0 261.385 1.169 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001480674581 971834856 /nfs/dbraw/zinc/83/48/56/971834856.db2.gz STFZQVZMGQJIKA-AWEZNQCLSA-N 2 0 279.428 1.176 10 0 CDAERP C[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CCF ZINC001480770809 971872751 /nfs/dbraw/zinc/87/27/51/971872751.db2.gz ZLWQQDMERCEKGX-DZGCQCFKSA-N 2 0 299.434 1.847 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001480829944 971898552 /nfs/dbraw/zinc/89/85/52/971898552.db2.gz HIPFHUGEJVTIIG-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP Cc1cn(C(C)(C)C(=O)N[C@H]2C[N@@H+](C)CC2(C)C)cn1 ZINC001363615999 953548178 /nfs/dbraw/zinc/54/81/78/953548178.db2.gz JRZBGJDQQSCSRF-LBPRGKRZSA-N 2 0 278.400 1.383 10 0 CDAERP CCCC[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001325550824 953957800 /nfs/dbraw/zinc/95/78/00/953957800.db2.gz AEPHDEAZHCNRMT-GJZGRUSLSA-N 2 0 283.460 1.812 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)C1 ZINC001363922396 954030537 /nfs/dbraw/zinc/03/05/37/954030537.db2.gz RRMNIVDGTVYWOB-QKPAOTATSA-N 2 0 293.455 1.517 10 0 CDAERP C[N@@H+]1C[C@@H]2CN(C[C@@H]3CCC[C@]4(CCOC4)O3)C[C@]2(C)C1 ZINC001364499886 954691912 /nfs/dbraw/zinc/69/19/12/954691912.db2.gz DHTGGHDYXLPVEN-LTIDMASMSA-N 2 0 294.439 1.598 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCN(CCF)C2CC2)C1 ZINC001493434955 972049164 /nfs/dbraw/zinc/04/91/64/972049164.db2.gz FPMVPRBDVDHZAY-HIFRSBDPSA-N 2 0 299.434 1.657 10 0 CDAERP C([NH2+][C@H]1C[C@@H]2COC[C@@H]21)C1CC[NH+](C2CCOCC2)CC1 ZINC001364722522 955095027 /nfs/dbraw/zinc/09/50/27/955095027.db2.gz DDUYLZCGCUEWOM-PVAVHDDUSA-N 2 0 294.439 1.502 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCC1CCCC1 ZINC001491676034 955382333 /nfs/dbraw/zinc/38/23/33/955382333.db2.gz YNYXQBNDIBSJQL-UKRRQHHQSA-N 2 0 281.444 1.613 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC=C(C)C)C1 ZINC001491765532 955409791 /nfs/dbraw/zinc/40/97/91/955409791.db2.gz WWBMQYRJFYWMMQ-HNNXBMFYSA-N 2 0 281.444 1.875 10 0 CDAERP CC1CC(C[NH2+]CCN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001493669701 972097275 /nfs/dbraw/zinc/09/72/75/972097275.db2.gz QZQNRDPGELRNFZ-GRAKBVBRSA-N 2 0 295.471 1.811 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+]Cc1cccc(F)c1 ZINC001421751165 955523006 /nfs/dbraw/zinc/52/30/06/955523006.db2.gz WKMOMIBCZDTVSQ-ZDUSSCGKSA-N 2 0 295.402 1.619 10 0 CDAERP CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CCC1 ZINC001421773210 955536479 /nfs/dbraw/zinc/53/64/79/955536479.db2.gz MJPMGJZKOAHRTG-KBPBESRZSA-N 2 0 279.428 1.652 10 0 CDAERP CCC[NH2+]CCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001493727536 972106573 /nfs/dbraw/zinc/10/65/73/972106573.db2.gz YQJKYHSIFZQPCF-UONOGXRCSA-N 2 0 267.417 1.461 10 0 CDAERP CCC[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001493806407 972117332 /nfs/dbraw/zinc/11/73/32/972117332.db2.gz IURYYSIXEGWRPN-ZDUSSCGKSA-N 2 0 255.406 1.319 10 0 CDAERP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3COC4(CCCCC4)O3)C[C@@H]2C1 ZINC001422144191 955776144 /nfs/dbraw/zinc/77/61/44/955776144.db2.gz RATZRWXKJRJABS-OWCLPIDISA-N 2 0 294.439 1.946 10 0 CDAERP CO[C@@H](C)C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)C(C)C ZINC001493858004 972127705 /nfs/dbraw/zinc/12/77/05/972127705.db2.gz MWLMBYLIGSJZCV-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)[N@H+](C)CCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001422172973 955812820 /nfs/dbraw/zinc/81/28/20/955812820.db2.gz CONWOBRYQXZXKT-CABCVRRESA-N 2 0 281.444 1.802 10 0 CDAERP CC[N@H+](CCF)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001422209167 955844035 /nfs/dbraw/zinc/84/40/35/955844035.db2.gz IBFAHVXWCQXUGI-UHFFFAOYSA-N 2 0 287.423 1.468 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)CCC1CC1 ZINC001422505226 956102284 /nfs/dbraw/zinc/10/22/84/956102284.db2.gz DVYFLWXZUIGFJT-UMVBOHGHSA-N 2 0 281.444 1.563 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)CCCO ZINC001422564843 956154057 /nfs/dbraw/zinc/15/40/57/956154057.db2.gz JGFKAMLXYNYWSY-LSDHHAIUSA-N 2 0 299.459 1.068 10 0 CDAERP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)CCC(C)(C)C ZINC001422596694 956180047 /nfs/dbraw/zinc/18/00/47/956180047.db2.gz JMANZTVAIQATGS-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H](C[NH2+]Cc1ccsc1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001422617520 956195327 /nfs/dbraw/zinc/19/53/27/956195327.db2.gz SHFWRDLSFYFKFR-YPMHNXCESA-N 2 0 281.425 1.294 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](CCC(C)C)CC2)CC[N@@H+]1C ZINC001365630571 956247792 /nfs/dbraw/zinc/24/77/92/956247792.db2.gz RNIIHBCILXAVSS-JKSUJKDBSA-N 2 0 295.471 1.907 10 0 CDAERP CO[C@H]1C[C@@H](C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001330068438 956262082 /nfs/dbraw/zinc/26/20/82/956262082.db2.gz YYWZSUUVGLVGOZ-OKILXGFUSA-N 2 0 252.402 1.877 10 0 CDAERP CCCC[NH+]1CCC2(C[C@@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001366015422 956509505 /nfs/dbraw/zinc/50/95/05/956509505.db2.gz CUINCLHYCFWMIH-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP CCC(CC)C[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001366413707 956801837 /nfs/dbraw/zinc/80/18/37/956801837.db2.gz XFKOBUGDSZYKRX-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CC[C@@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001423580984 956873018 /nfs/dbraw/zinc/87/30/18/956873018.db2.gz XSPHEZYSYQHSMI-UKRRQHHQSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccnc(F)c1 ZINC001331510867 957109480 /nfs/dbraw/zinc/10/94/80/957109480.db2.gz LYCGCXSWYCLXOP-CYBMUJFWSA-N 2 0 280.391 1.336 10 0 CDAERP CC1CC(C[N@@H+]2CC[C@@H](NC(=O)CC[NH+](C)C)C2)C1 ZINC001316988334 957184712 /nfs/dbraw/zinc/18/47/12/957184712.db2.gz ZCJPEWDZOMSVQL-JXQTWKCFSA-N 2 0 267.417 1.175 10 0 CDAERP CC1CC(C[N@@H+]2CC[C@H](NC(=O)CC[NH+](C)C)C2)C1 ZINC001316988335 957189038 /nfs/dbraw/zinc/18/90/38/957189038.db2.gz ZCJPEWDZOMSVQL-RUXDESIVSA-N 2 0 267.417 1.175 10 0 CDAERP CC[NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001317062934 957238514 /nfs/dbraw/zinc/23/85/14/957238514.db2.gz VBKFXNCEQDVULN-QWHCGFSZSA-N 2 0 255.406 1.317 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC[C@H](C[NH2+]CCF)C1 ZINC001317162492 957312480 /nfs/dbraw/zinc/31/24/80/957312480.db2.gz UEUKCPSFKLPBLF-CYBMUJFWSA-N 2 0 273.396 1.126 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001367016815 957341292 /nfs/dbraw/zinc/34/12/92/957341292.db2.gz YJKDKVBPYUHEBY-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP CC(C)CCC[NH2+][C@@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001317262208 957388547 /nfs/dbraw/zinc/38/85/47/957388547.db2.gz BEKCQXFFRVOPMU-GJZGRUSLSA-N 2 0 283.460 1.859 10 0 CDAERP CCCC[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001317380062 957443176 /nfs/dbraw/zinc/44/31/76/957443176.db2.gz XUECANLJUAHYFV-CQSZACIVSA-N 2 0 269.433 1.661 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001317411662 957459691 /nfs/dbraw/zinc/45/96/91/957459691.db2.gz GYZDSNQEENARNM-CQSZACIVSA-N 2 0 279.428 1.533 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)CC1CCCC1)[NH+](C)C ZINC001425096304 957468668 /nfs/dbraw/zinc/46/86/68/957468668.db2.gz UZVLZWUBQSEYOA-UKRRQHHQSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)(C)NC(=O)C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001332424291 957559983 /nfs/dbraw/zinc/55/99/83/957559983.db2.gz KEWFXJOJGJKIBY-UHFFFAOYSA-N 2 0 267.417 1.367 10 0 CDAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC1CC1 ZINC001425548647 957563863 /nfs/dbraw/zinc/56/38/63/957563863.db2.gz BRNMCDZTMQGLNA-ZFWWWQNUSA-N 2 0 281.444 1.706 10 0 CDAERP Cc1noc(C)c1C[NH2+]CCN(C)C(=O)CCC[NH+](C)C ZINC001317633976 957612012 /nfs/dbraw/zinc/61/20/12/957612012.db2.gz NCLKZPAMIPWYPZ-UHFFFAOYSA-N 2 0 296.415 1.181 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)CC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001317656879 957625845 /nfs/dbraw/zinc/62/58/45/957625845.db2.gz CKEGCWZBHOBTBJ-OWCLPIDISA-N 2 0 295.471 1.812 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]Cc2cccnc2)CN1C(=O)CC[NH+](C)C ZINC001425886277 957635402 /nfs/dbraw/zinc/63/54/02/957635402.db2.gz CGCJXAVRUXAVPE-UKRRQHHQSA-N 2 0 290.411 1.112 10 0 CDAERP CC(C)C[NH2+]C[C@](C)(NC(=O)C[N@H+](C)C(C)C)C1CC1 ZINC001367175727 957827679 /nfs/dbraw/zinc/82/76/79/957827679.db2.gz BILAIXYNSHIDOQ-INIZCTEOSA-N 2 0 283.460 1.857 10 0 CDAERP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC001332991984 957998098 /nfs/dbraw/zinc/99/80/98/957998098.db2.gz RDYFLCWWEYRKSQ-BFHYXJOUSA-N 2 0 268.401 1.602 10 0 CDAERP CC(C)C[C@H](C[NH2+]C(C)C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001367423693 958006300 /nfs/dbraw/zinc/00/63/00/958006300.db2.gz KIQGYOSUXBRQQL-HUUCEWRRSA-N 2 0 283.460 1.857 10 0 CDAERP Cc1cc(C[NH2+][C@H](CNC(=O)CC[NH+](C)C)C(C)C)on1 ZINC001367478607 958043715 /nfs/dbraw/zinc/04/37/15/958043715.db2.gz IWPHUSPFJAMIDI-CQSZACIVSA-N 2 0 296.415 1.165 10 0 CDAERP C[NH+](C)CCC(=O)NC1(C[NH2+]CC2CC2)CCCC1 ZINC001318655231 958218002 /nfs/dbraw/zinc/21/80/02/958218002.db2.gz XKSMXZDWBWXAHW-UHFFFAOYSA-N 2 0 267.417 1.367 10 0 CDAERP C[C@H](C[NH2+]CC1CCCCC1)NC(=O)C[NH+]1CCCC1 ZINC001367713512 958240235 /nfs/dbraw/zinc/24/02/35/958240235.db2.gz VGLZFNBVZINAPY-CQSZACIVSA-N 2 0 281.444 1.757 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]C/C=C/Cl)C1 ZINC001319129585 958386194 /nfs/dbraw/zinc/38/61/94/958386194.db2.gz GGWCZJAQGQUSRV-QNTSXVQBSA-N 2 0 285.819 1.271 10 0 CDAERP C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)C[NH2+]CCCF ZINC001319210282 958435204 /nfs/dbraw/zinc/43/52/04/958435204.db2.gz VRNCTPPEPUIYNI-CQSZACIVSA-N 2 0 299.434 1.564 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H](C)C[N@H+](C)C(C)C)[NH+]1CCCC1 ZINC001367862322 958438072 /nfs/dbraw/zinc/43/80/72/958438072.db2.gz NXVYIJSXVYXHPW-CABCVRRESA-N 2 0 283.460 1.952 10 0 CDAERP C[C@H](C[N@H+](C)CCC1CCCC1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001367860079 958440452 /nfs/dbraw/zinc/44/04/52/958440452.db2.gz WLVQITFQFYYLPQ-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@H+](C)[C@@H]1CCN(C(=O)NC[C@@H]2CCCC[NH+](C)C2)C1 ZINC001428352832 958541892 /nfs/dbraw/zinc/54/18/92/958541892.db2.gz HQYIGUDHTVWMAO-LSDHHAIUSA-N 2 0 296.459 1.454 10 0 CDAERP COC[C@H](C)[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001368011227 958575981 /nfs/dbraw/zinc/57/59/81/958575981.db2.gz CZAIHWCJSMWOLM-ZDUSSCGKSA-N 2 0 297.443 1.134 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]CC1CC1 ZINC001494988803 972367168 /nfs/dbraw/zinc/36/71/68/972367168.db2.gz MKSKPSGMRGZAKM-GJZGRUSLSA-N 2 0 281.444 1.755 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1C[C@@H](C)CC ZINC001368429661 958839562 /nfs/dbraw/zinc/83/95/62/958839562.db2.gz CDEHNIJJBSGARV-GJZGRUSLSA-N 2 0 283.460 1.907 10 0 CDAERP CC[C@@H](C[NH2+]C[C@H]1CCCCN1C(=O)CC[NH+](C)C)OC ZINC001368459953 958866492 /nfs/dbraw/zinc/86/64/92/958866492.db2.gz NVLMZGYKYSYRMJ-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CCC1 ZINC001368486255 958893162 /nfs/dbraw/zinc/89/31/62/958893162.db2.gz KSLGLYDVPXOGLX-KGLIPLIRSA-N 2 0 281.444 1.755 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@@H]1CCC[C@@H]1C[NH2+]C/C=C\Cl ZINC001320188686 958995286 /nfs/dbraw/zinc/99/52/86/958995286.db2.gz ZSXYMTVPPWORRP-ALCJFRFOSA-N 2 0 299.846 1.709 10 0 CDAERP CC[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CCOC ZINC001495068629 972394693 /nfs/dbraw/zinc/39/46/93/972394693.db2.gz HIMLNPYQHDMZNV-LSDHHAIUSA-N 2 0 299.459 1.382 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCC2CC2)CC1(C)C ZINC001368671896 959026185 /nfs/dbraw/zinc/02/61/85/959026185.db2.gz JXFLGSFNJAYWIM-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H]([NH2+]CCC1CC1)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001368871430 959211629 /nfs/dbraw/zinc/21/16/29/959211629.db2.gz PQXBQGXAILCYEQ-KGLIPLIRSA-N 2 0 293.455 1.898 10 0 CDAERP C[C@@H](NC(=O)CC1CC[NH+](C)CC1)[C@@H](C)[NH2+]CCF ZINC001368881998 959223695 /nfs/dbraw/zinc/22/36/95/959223695.db2.gz QNLSAEFHPPKSIL-VXGBXAGGSA-N 2 0 273.396 1.171 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C1C[NH+](CCCF)C1)[NH+](C)C ZINC001369072225 959441233 /nfs/dbraw/zinc/44/12/33/959441233.db2.gz HHSLKFSATGFLLQ-WCQYABFASA-N 2 0 273.396 1.123 10 0 CDAERP C[C@H](NC(=O)C[NH+]1CCCC1)C1C[NH+](CC2CC(C)C2)C1 ZINC001369097624 959456735 /nfs/dbraw/zinc/45/67/35/959456735.db2.gz DFXJICOPHVPQGQ-SLTAFYQDSA-N 2 0 293.455 1.565 10 0 CDAERP CCCC[NH+]1CC([C@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001369100713 959457461 /nfs/dbraw/zinc/45/74/61/959457461.db2.gz YTRJMXYGMXUSQQ-KBPBESRZSA-N 2 0 281.444 1.565 10 0 CDAERP CCCC[NH+]1CC([C@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001369100715 959457599 /nfs/dbraw/zinc/45/75/99/959457599.db2.gz YTRJMXYGMXUSQQ-UONOGXRCSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001321627441 959877817 /nfs/dbraw/zinc/87/78/17/959877817.db2.gz CISOQPMSKWNWGY-CYBMUJFWSA-N 2 0 255.406 1.389 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CCC1CC1 ZINC001321757144 959935386 /nfs/dbraw/zinc/93/53/86/959935386.db2.gz WLJQYVMEXPAQIJ-UKRRQHHQSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H](C[NH2+]C/C=C\Cl)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001321957807 960033096 /nfs/dbraw/zinc/03/30/96/960033096.db2.gz UKGXRTVOXKUGRZ-RAUBUVQISA-N 2 0 273.808 1.318 10 0 CDAERP CCc1ccccc1C[NH2+][C@@H](C)CNC(=O)CC[NH+](C)C ZINC001371356782 972484007 /nfs/dbraw/zinc/48/40/07/972484007.db2.gz ZBRUPVSODSYHMY-AWEZNQCLSA-N 2 0 291.439 1.795 10 0 CDAERP CC(C)[NH2+]CCCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001322548658 960248194 /nfs/dbraw/zinc/24/81/94/960248194.db2.gz FGJSCQBCINIMCP-CQSZACIVSA-N 2 0 269.433 1.707 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001323406579 960714821 /nfs/dbraw/zinc/71/48/21/960714821.db2.gz QFQBVWOICWINOF-LBPRGKRZSA-N 2 0 253.390 1.119 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)N1CCN2C[C@@H](F)C[C@H]2C1 ZINC001434012299 960874983 /nfs/dbraw/zinc/87/49/83/960874983.db2.gz KLJWUTCROWQDAM-RWMBFGLXSA-N 2 0 283.391 1.114 10 0 CDAERP CCc1nccn1CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001434356070 961191843 /nfs/dbraw/zinc/19/18/43/961191843.db2.gz NUKPNDGHKCPFBO-ZIAGYGMSSA-N 2 0 290.411 1.579 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001419479570 961749232 /nfs/dbraw/zinc/74/92/32/961749232.db2.gz QSSJHMQUOXWGNO-KGLIPLIRSA-N 2 0 299.434 1.705 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001419530400 961793222 /nfs/dbraw/zinc/79/32/22/961793222.db2.gz RUPAWFKDGNACKK-KGLIPLIRSA-N 2 0 281.444 1.470 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCCC[NH+]2CC2CC2)C1 ZINC001419612467 961867526 /nfs/dbraw/zinc/86/75/26/961867526.db2.gz YPAVKVDNFBQSPI-GDBMZVCRSA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)CC[NH+]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001434861642 962014868 /nfs/dbraw/zinc/01/48/68/962014868.db2.gz WUMKPIRUONUPHW-INIZCTEOSA-N 2 0 293.455 1.519 10 0 CDAERP C[NH+](C)CC1(C(=O)N2CCCCC[C@@H]([NH2+]CCF)C2)CC1 ZINC001436481265 962282580 /nfs/dbraw/zinc/28/25/80/962282580.db2.gz VVWMBZTZUCCAQI-CQSZACIVSA-N 2 0 299.434 1.659 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCNC(=O)C[NH+](C)C1CCC1 ZINC001420245415 962621502 /nfs/dbraw/zinc/62/15/02/962621502.db2.gz SOMWTPMMSIIOEN-GFCCVEGCSA-N 2 0 273.396 1.267 10 0 CDAERP Cc1ccc(C[NH2+][C@H](C)CNC(=O)CC[NH+](C)C)cc1F ZINC001437204296 962739209 /nfs/dbraw/zinc/73/92/09/962739209.db2.gz UJMNMFXUUSEGMD-CYBMUJFWSA-N 2 0 295.402 1.680 10 0 CDAERP Cc1ccc(C)c(C[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C)c1 ZINC001420338549 962763257 /nfs/dbraw/zinc/76/32/57/962763257.db2.gz LCINAGXGCDIOPQ-OAHLLOKOSA-N 2 0 291.439 1.849 10 0 CDAERP CC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)CC[C@H](C)F ZINC001420434347 962904074 /nfs/dbraw/zinc/90/40/74/962904074.db2.gz HICPWSDWDUFXQP-ZDUSSCGKSA-N 2 0 285.407 1.268 10 0 CDAERP C[C@H](F)CC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001420469417 962942601 /nfs/dbraw/zinc/94/26/01/962942601.db2.gz KCDITKIHKUYBRO-ZFWWWQNUSA-N 2 0 299.434 1.799 10 0 CDAERP CC(C)C[N@H+](C)CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001437487623 962951150 /nfs/dbraw/zinc/95/11/50/962951150.db2.gz WORXHZNZEHBRRB-HUUCEWRRSA-N 2 0 281.444 1.707 10 0 CDAERP Cc1cncc(C[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C)c1 ZINC001420614682 963121770 /nfs/dbraw/zinc/12/17/70/963121770.db2.gz HNDLOPMRBFFKMD-CQSZACIVSA-N 2 0 292.427 1.278 10 0 CDAERP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CCC(F)(F)F ZINC001438370931 963433344 /nfs/dbraw/zinc/43/33/44/963433344.db2.gz QUCHQLLWHJMYAB-NSHDSACASA-N 2 0 295.349 1.519 10 0 CDAERP CC[C@@H](F)C[NH2+][C@@H](CC)CNC(=O)C[NH+]1CCCC1 ZINC001438368884 963433584 /nfs/dbraw/zinc/43/35/84/963433584.db2.gz NWXOVRKSIDXYGZ-OLZOCXBDSA-N 2 0 273.396 1.315 10 0 CDAERP CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](F)C[NH+](CC)CC ZINC001421200277 963496635 /nfs/dbraw/zinc/49/66/35/963496635.db2.gz BADGDDRFVOPREA-SOUVJXGZSA-N 2 0 299.434 1.752 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@]1(C)CC[N@@H+](C(C)C)C1 ZINC001421200001 963497272 /nfs/dbraw/zinc/49/72/72/963497272.db2.gz CIGXFHLAUUSFBD-UKRRQHHQSA-N 2 0 287.423 1.655 10 0 CDAERP C[C@H](C[NH2+]C/C(Cl)=C\Cl)N(C)C(=O)CC[NH+](C)C ZINC001438676798 963523354 /nfs/dbraw/zinc/52/33/54/963523354.db2.gz ULMOJCZGDCNCID-UEUZTHOGSA-N 2 0 296.242 1.694 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)[C@H](C)C[NH2+]Cc1cncs1 ZINC001438702999 963529367 /nfs/dbraw/zinc/52/93/67/963529367.db2.gz VIHQHKPPCIFSTA-GFCCVEGCSA-N 2 0 298.456 1.421 10 0 CDAERP CCC[N@@H+]1CCC[C@](C)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001421294524 963539846 /nfs/dbraw/zinc/53/98/46/963539846.db2.gz WHVMKWAYUURPHI-NVXWUHKLSA-N 2 0 295.471 1.957 10 0 CDAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CC1CC1 ZINC001421450088 963611815 /nfs/dbraw/zinc/61/18/15/963611815.db2.gz IYTLRHJXRURMMN-QEJZJMRPSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@H](C[N@H+](C)CCCF)NC(=O)[C@H]1CCCC[NH+]1C ZINC001439339502 963728483 /nfs/dbraw/zinc/72/84/83/963728483.db2.gz KHHUDILNRASFLU-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP CCC(CC)C[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001439405369 963755457 /nfs/dbraw/zinc/75/54/57/963755457.db2.gz GYCNDTYOPZRDJB-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP O=C(NCC1([NH2+]CCC2CC2)CC1)[C@@]12CC[N@H+](C1)CCC2 ZINC001439669311 963836028 /nfs/dbraw/zinc/83/60/28/963836028.db2.gz FOIDRLSQCXLEQJ-INIZCTEOSA-N 2 0 291.439 1.511 10 0 CDAERP CC(C)C[NH2+]C[C@]1(C)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001439903187 963892127 /nfs/dbraw/zinc/89/21/27/963892127.db2.gz NYKHQVAYSUCDGO-RDJZCZTQSA-N 2 0 295.471 1.812 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CC(C)C)C1 ZINC001440135101 963933805 /nfs/dbraw/zinc/93/38/05/963933805.db2.gz JVCMTXLUXGGWSO-CABCVRRESA-N 2 0 283.460 1.668 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001440672919 964132546 /nfs/dbraw/zinc/13/25/46/964132546.db2.gz XJWMPCJMTZBTML-LSDHHAIUSA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001441222092 964418010 /nfs/dbraw/zinc/41/80/10/964418010.db2.gz GPXUYBAFULHNFE-AWEZNQCLSA-N 2 0 281.444 1.754 10 0 CDAERP CC(C)[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CCC1 ZINC001441423680 964510390 /nfs/dbraw/zinc/51/03/90/964510390.db2.gz XNIPGXDVFXWRDB-HZPDHXFCSA-N 2 0 295.471 1.859 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccsc2)C1 ZINC001441515837 964569398 /nfs/dbraw/zinc/56/93/98/964569398.db2.gz AJIFCNVNLDTWJF-OKILXGFUSA-N 2 0 295.452 1.827 10 0 CDAERP CC(C)[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CCC1CC1)[NH+](C)C ZINC001441588817 964605807 /nfs/dbraw/zinc/60/58/07/964605807.db2.gz IGMMSMABABHYGU-UKRRQHHQSA-N 2 0 283.460 1.809 10 0 CDAERP CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001441666666 964644431 /nfs/dbraw/zinc/64/44/31/964644431.db2.gz BRUXBJWJBQHJCX-GJZGRUSLSA-N 2 0 281.444 1.804 10 0 CDAERP CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]21 ZINC001441883099 964765083 /nfs/dbraw/zinc/76/50/83/964765083.db2.gz VKKVNPNBPAVGTB-QLFBSQMISA-N 2 0 281.444 1.563 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccccc1Cl ZINC001441941962 964798200 /nfs/dbraw/zinc/79/82/00/964798200.db2.gz RLRSPXCPCUYTAW-GFCCVEGCSA-N 2 0 297.830 1.886 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)CN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001442044461 964844232 /nfs/dbraw/zinc/84/42/32/964844232.db2.gz CELUUFXDNOQNAQ-GJZGRUSLSA-N 2 0 299.459 1.020 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H](C)C1CC[NH+](CC2CC2)CC1 ZINC001442225182 964938330 /nfs/dbraw/zinc/93/83/30/964938330.db2.gz ZMAFVJQCSMWHHS-AWEZNQCLSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](F)C[N@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001442743902 965197421 /nfs/dbraw/zinc/19/74/21/965197421.db2.gz ISDAQIQJXYAXEE-QWHCGFSZSA-N 2 0 273.396 1.124 10 0 CDAERP C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCCC[NH+]3CCCC3)C[N@@H+]2C1 ZINC001347262935 965444168 /nfs/dbraw/zinc/44/41/68/965444168.db2.gz XKKQCIHNESRLGN-BZUAXINKSA-N 2 0 293.455 1.709 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001444987183 966041900 /nfs/dbraw/zinc/04/19/00/966041900.db2.gz ISFHAOCZBGYXNN-UKRRQHHQSA-N 2 0 299.434 1.467 10 0 CDAERP Cc1cnc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)s1 ZINC001445525950 966224708 /nfs/dbraw/zinc/22/47/08/966224708.db2.gz AOJVLKUTPZIRPT-JQWIXIFHSA-N 2 0 296.440 1.140 10 0 CDAERP CC(C)CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1C ZINC001445771049 966329272 /nfs/dbraw/zinc/32/92/72/966329272.db2.gz PXVWRUXWOVZGMB-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N1CCC[C@H]1C[NH2+]C(C)C ZINC001446436981 966544341 /nfs/dbraw/zinc/54/43/41/966544341.db2.gz CRXYQIGROLHIKY-KBPBESRZSA-N 2 0 287.423 1.655 10 0 CDAERP CC(C)OCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001447630363 966835012 /nfs/dbraw/zinc/83/50/12/966835012.db2.gz HIHDULYMHOWMGZ-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP CC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001448212024 967031845 /nfs/dbraw/zinc/03/18/45/967031845.db2.gz GZZGIPYYKINKBR-KFWWJZLASA-N 2 0 283.460 1.809 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCC)CC1(C)C ZINC001448417397 967105296 /nfs/dbraw/zinc/10/52/96/967105296.db2.gz OHMJARVYAJWTJX-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001448645586 967189489 /nfs/dbraw/zinc/18/94/89/967189489.db2.gz CQWCLDHOKSXPRM-HOCLYGCPSA-N 2 0 295.471 1.811 10 0 CDAERP CC[C@@H](C(=O)N[C@@]12CCC[C@H]1[N@H+](CC1CC1)CC2)[NH+](C)C ZINC001449016574 967334873 /nfs/dbraw/zinc/33/48/73/967334873.db2.gz SCBPAWDOKOHDBD-ZMSDIMECSA-N 2 0 293.455 1.850 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH+]2CCC(C)(C)C2)C1 ZINC001457035230 969094831 /nfs/dbraw/zinc/09/48/31/969094831.db2.gz RCBAPCYQWOTHRR-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](CN1CCOCC1)C[N@@H+]1CC[C@H](N2CCCCC2)C1 ZINC001459604911 969439724 /nfs/dbraw/zinc/43/97/24/969439724.db2.gz WLHHEUSXAOCTDO-IRXDYDNUSA-N 2 0 295.471 1.515 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)NCC[NH+]2CCC(C)CC2)C1 ZINC001464156699 969774005 /nfs/dbraw/zinc/77/40/05/969774005.db2.gz CHCSHNFOWJFRDJ-INIZCTEOSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC001361612791 970339234 /nfs/dbraw/zinc/33/92/34/970339234.db2.gz DCEXZNZQGORNSC-CQSZACIVSA-N 2 0 293.455 1.850 10 0 CDAERP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CC[NH+]1CC[C@H](F)C1 ZINC001361680146 970412725 /nfs/dbraw/zinc/41/27/25/970412725.db2.gz OKXFRQMCSYCVIJ-KFWWJZLASA-N 2 0 299.434 1.657 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001371635814 972573331 /nfs/dbraw/zinc/57/33/31/972573331.db2.gz LTVGGCWCQNRXIK-BLUMVJBISA-N 2 0 287.835 1.708 10 0 CDAERP C[C@H](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]C/C=C/Cl ZINC001371866965 972661130 /nfs/dbraw/zinc/66/11/30/972661130.db2.gz IMZFTZDFFRVYHX-OIOWFRMASA-N 2 0 287.835 1.565 10 0 CDAERP CC[C@@H](F)C[NH2+][C@@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001371870377 972664961 /nfs/dbraw/zinc/66/49/61/972664961.db2.gz RKUATFNMNYOVQO-QWHCGFSZSA-N 2 0 285.407 1.315 10 0 CDAERP CC/C=C\CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001496025419 972758761 /nfs/dbraw/zinc/75/87/61/972758761.db2.gz AYOSMNJODKACSX-BEWKBBBFSA-N 2 0 281.444 1.873 10 0 CDAERP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C[C@H](F)CC ZINC001372745887 973106823 /nfs/dbraw/zinc/10/68/23/973106823.db2.gz DOPRSGIMOIHOJK-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP CN(CCN(C)C(=O)C[NH+]1CCCC1)CCC(F)(F)F ZINC001496836066 973115039 /nfs/dbraw/zinc/11/50/39/973115039.db2.gz NYSSRIFZQRSPOF-UHFFFAOYSA-N 2 0 295.349 1.425 10 0 CDAERP CCN(CC[NH2+]C[C@@H]1CCCCO1)C(=O)C[NH+]1CCCC1 ZINC001497495646 973366114 /nfs/dbraw/zinc/36/61/14/973366114.db2.gz LAPTYTAXPIKXMZ-HNNXBMFYSA-N 2 0 297.443 1.089 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CCC[N@H+](CCOC(C)C)C1)[NH+](C)C ZINC001373393362 973411335 /nfs/dbraw/zinc/41/13/35/973411335.db2.gz RFOUQRIEWVRNPP-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP CC[C@@H](C(=O)NC/C=C\C[NH2+]C[C@H]1CCCOC1)[NH+](C)C ZINC001497677876 973461498 /nfs/dbraw/zinc/46/14/98/973461498.db2.gz BZOOHDBRVKBAQC-JGUVHBTRSA-N 2 0 297.443 1.015 10 0 CDAERP C[C@H](C[NH2+]CC[C@H]1CCCO1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001497883392 973564114 /nfs/dbraw/zinc/56/41/14/973564114.db2.gz KPUZMGFIXPDDKT-KFWWJZLASA-N 2 0 297.443 1.134 10 0 CDAERP C[C@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)C1CC[NH+](C)CC1 ZINC001497899964 973568563 /nfs/dbraw/zinc/56/85/63/973568563.db2.gz PTWGQZMNJRRJPF-CYBMUJFWSA-N 2 0 295.471 1.859 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001498132524 973701355 /nfs/dbraw/zinc/70/13/55/973701355.db2.gz OLNQLTYVIHWJLX-KGLIPLIRSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)[NH2+]CCF ZINC001418263832 973706406 /nfs/dbraw/zinc/70/64/06/973706406.db2.gz DFSMEHOGQYOIQM-UKRRQHHQSA-N 2 0 299.434 1.847 10 0 CDAERP O=C(C[NH+]1CCCC1)NCC1([NH2+]CCC2CC2)CCCC1 ZINC001374178852 973809289 /nfs/dbraw/zinc/80/92/89/973809289.db2.gz DHEHRYOMUWMFMA-UHFFFAOYSA-N 2 0 293.455 1.901 10 0 CDAERP CC(C)C[N@H+](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001418473263 973875677 /nfs/dbraw/zinc/87/56/77/973875677.db2.gz FIQYBZQCAMDPTO-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP C[C@@H](C[NH2+]Cc1cncs1)N(C)C(=O)CCC[NH+](C)C ZINC001374288015 973876208 /nfs/dbraw/zinc/87/62/08/973876208.db2.gz PNIYHCZDYIVHQB-LBPRGKRZSA-N 2 0 298.456 1.421 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001418473893 973876562 /nfs/dbraw/zinc/87/65/62/973876562.db2.gz HUWRTISNDZOZAJ-OAHLLOKOSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@@H](F)CC[N@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001498393292 973880910 /nfs/dbraw/zinc/88/09/10/973880910.db2.gz IEHNPGNOFWWEMZ-NEPJUHHUSA-N 2 0 261.385 1.123 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C[NH2+]C/C=C\Cl)C1CC1)[NH+](C)C ZINC001498857908 974080484 /nfs/dbraw/zinc/08/04/84/974080484.db2.gz JULANOGIVQQNAT-SDIVBXRLSA-N 2 0 287.835 1.564 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1cc(C)ns1)[NH+](C)C ZINC001374813492 974134729 /nfs/dbraw/zinc/13/47/29/974134729.db2.gz GSDMLNYUQWXFFD-YPMHNXCESA-N 2 0 298.456 1.386 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCCOC ZINC001498992683 974152325 /nfs/dbraw/zinc/15/23/25/974152325.db2.gz RGYZMBBSAUFQIN-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@@H](C[NH2+]CC1CCC1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001374905794 974174439 /nfs/dbraw/zinc/17/44/39/974174439.db2.gz MREUUOVDLTUHEB-AWEZNQCLSA-N 2 0 293.455 1.757 10 0 CDAERP C[C@@H](C[NH2+]Cc1cc(F)cc(F)c1)NC(=O)CC[NH+](C)C ZINC001374932052 974182710 /nfs/dbraw/zinc/18/27/10/974182710.db2.gz TTYUOJOEVKNBSJ-NSHDSACASA-N 2 0 299.365 1.511 10 0 CDAERP CC(C)C[C@@H](C)C[NH+]1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001499792639 974305453 /nfs/dbraw/zinc/30/54/53/974305453.db2.gz QRLGCTRCAQPDTM-CABCVRRESA-N 2 0 295.471 1.763 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001499922993 974335804 /nfs/dbraw/zinc/33/58/04/974335804.db2.gz RFIWLKPNZMCMNF-GJZGRUSLSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)CC[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001499926045 974336220 /nfs/dbraw/zinc/33/62/20/974336220.db2.gz DBWXLBQBCCJGNR-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001375375994 974358128 /nfs/dbraw/zinc/35/81/28/974358128.db2.gz PUSGVOQYSLTLTM-HOTGVXAUSA-N 2 0 295.471 1.953 10 0 CDAERP CCOCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001501093225 974531418 /nfs/dbraw/zinc/53/14/18/974531418.db2.gz XIISGLYBAUGKMQ-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001376020345 974535444 /nfs/dbraw/zinc/53/54/44/974535444.db2.gz XHLUNRTXDTVPFX-CQSZACIVSA-N 2 0 281.444 1.804 10 0 CDAERP C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C[NH2+]CCF ZINC001501129657 974539882 /nfs/dbraw/zinc/53/98/82/974539882.db2.gz IRNXNGHKEWBBBH-KBPBESRZSA-N 2 0 299.434 1.514 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CCF)C1 ZINC001501649882 974618187 /nfs/dbraw/zinc/61/81/87/974618187.db2.gz AMAPFAOILRRNIU-LSDHHAIUSA-N 2 0 299.434 1.659 10 0 CDAERP CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001376380469 974647604 /nfs/dbraw/zinc/64/76/04/974647604.db2.gz VGHCVDJNZGEVSU-LVQVYYBASA-N 2 0 293.455 1.707 10 0 CDAERP CC(C)C[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001376386181 974648390 /nfs/dbraw/zinc/64/83/90/974648390.db2.gz DISSJKFOWLQEIR-KKUMJFAQSA-N 2 0 283.460 1.857 10 0 CDAERP COCCC[N@H+](C)CCCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001502346231 974721263 /nfs/dbraw/zinc/72/12/63/974721263.db2.gz QPZJPYZEKWIEDR-OAHLLOKOSA-N 2 0 299.459 1.288 10 0 CDAERP CC(C)CC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001376722727 974744554 /nfs/dbraw/zinc/74/45/54/974744554.db2.gz WSIZZHJWHQUKNP-HUUCEWRRSA-N 2 0 283.460 2.000 10 0 CDAERP C[C@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]C/C=C\Cl ZINC001377064094 974873105 /nfs/dbraw/zinc/87/31/05/974873105.db2.gz FAGZZPIVKJGWJB-WKSPHBBESA-N 2 0 287.835 1.565 10 0 CDAERP CC[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1nccs1)[NH+](C)C ZINC001377094439 974881690 /nfs/dbraw/zinc/88/16/90/974881690.db2.gz BTZSVGKVBNMNNV-NWDGAFQWSA-N 2 0 298.456 1.468 10 0 CDAERP COCC[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001505605518 974933829 /nfs/dbraw/zinc/93/38/29/974933829.db2.gz GILJJSVCHWWPBH-KBPBESRZSA-N 2 0 299.459 1.380 10 0 CDAERP C[N@H+](CCNC(=O)C[NH+]1CCCC1)Cc1cccc(F)c1 ZINC001377261974 974949820 /nfs/dbraw/zinc/94/98/20/974949820.db2.gz SMWXJCXHUNFNTH-UHFFFAOYSA-N 2 0 293.386 1.470 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1CCC(C)(C)C ZINC001377411677 975013215 /nfs/dbraw/zinc/01/32/15/975013215.db2.gz MDYPWAOWZGUIHT-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cnoc1C ZINC001377866450 975159774 /nfs/dbraw/zinc/15/97/74/975159774.db2.gz DDZGBAVLTPDZEK-RYUDHWBXSA-N 2 0 296.415 1.308 10 0 CDAERP CC[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]CC1CCOCC1 ZINC001378338318 975332663 /nfs/dbraw/zinc/33/26/63/975332663.db2.gz JRKYVCWESQDFBW-OAHLLOKOSA-N 2 0 299.459 1.238 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N[C@@](C)(C[NH2+]CC2CC2)C2CC2)C1 ZINC001378409725 975346800 /nfs/dbraw/zinc/34/68/00/975346800.db2.gz MGAFOAUCCHUVPV-GUYCJALGSA-N 2 0 293.455 1.613 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@]2(C1)C[NH+](C(C)C)CCO2 ZINC001378622510 975419385 /nfs/dbraw/zinc/41/93/85/975419385.db2.gz FGXGNRHMTWQBGL-MRXNPFEDSA-N 2 0 297.443 1.040 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@]12CCC[C@H]1[NH+](CCCF)CC2 ZINC001507351801 975427760 /nfs/dbraw/zinc/42/77/60/975427760.db2.gz ICPGHHAMTIACLM-GDBMZVCRSA-N 2 0 299.434 1.801 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@](C)(C[NH2+]CC2CC2)C2CC2)C1 ZINC001401027339 975437810 /nfs/dbraw/zinc/43/78/10/975437810.db2.gz RBRMRAHGCLXTKK-WMLDXEAASA-N 2 0 293.455 1.613 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001397071059 975452908 /nfs/dbraw/zinc/45/29/08/975452908.db2.gz AMJWQEISBIJCLR-APIJFGDWSA-N 2 0 281.444 1.611 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001507427657 975466081 /nfs/dbraw/zinc/46/60/81/975466081.db2.gz KWOMSSPAXWYCDY-QWHCGFSZSA-N 2 0 255.406 1.221 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001397126954 975473028 /nfs/dbraw/zinc/47/30/28/975473028.db2.gz DOVCZOORZYYRIH-BPLDGKMQSA-N 2 0 299.434 1.561 10 0 CDAERP C[C@H](F)CC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001388555205 975506311 /nfs/dbraw/zinc/50/63/11/975506311.db2.gz GJDDHTKVVSKJGH-HZSPNIEDSA-N 2 0 287.423 1.513 10 0 CDAERP C[C@H](C[NH2+]Cc1cccnc1)N(C)C(=O)C[NH+]1CCCC1 ZINC001401251241 975545380 /nfs/dbraw/zinc/54/53/80/975545380.db2.gz ACVVBGCBISTIRE-CQSZACIVSA-N 2 0 290.411 1.114 10 0 CDAERP CC[N@H+](C)CCN(C(=O)COC1CC[NH+](C)CC1)C(C)C ZINC001507849717 975550423 /nfs/dbraw/zinc/55/04/23/975550423.db2.gz LXGODPJAPRGBOD-UHFFFAOYSA-N 2 0 299.459 1.286 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC1C[NH+](CCCC2CCC2)C1 ZINC001404943111 975550345 /nfs/dbraw/zinc/55/03/45/975550345.db2.gz DJEIFBOKFLVTAI-UHFFFAOYSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001401302363 975570089 /nfs/dbraw/zinc/57/00/89/975570089.db2.gz SAOQVHGZEQLPCU-CABCVRRESA-N 2 0 283.460 1.809 10 0 CDAERP CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]CCC(C)C)[NH+](C)C ZINC001379256692 975733747 /nfs/dbraw/zinc/73/37/47/975733747.db2.gz UUVDNLGLKAWAQU-UONOGXRCSA-N 2 0 271.449 1.809 10 0 CDAERP C[C@H](C[NH2+]Cc1cncs1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001379414696 975826575 /nfs/dbraw/zinc/82/65/75/975826575.db2.gz GPFHYPFMRIUSPM-NWDGAFQWSA-N 2 0 296.440 1.079 10 0 CDAERP C[C@H](C[N@H+](C)CCC(C)(C)C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001401732561 975849715 /nfs/dbraw/zinc/84/97/15/975849715.db2.gz JWMGDUQQQJZHTR-KGLIPLIRSA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001389506348 975875576 /nfs/dbraw/zinc/87/55/76/975875576.db2.gz KILZSDQQLQCSSF-LSDHHAIUSA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)OCC[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001401777824 975905083 /nfs/dbraw/zinc/90/50/83/975905083.db2.gz KRHBXXXBWSWFSD-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP Cc1ncc(C[NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C)o1 ZINC001379550726 975919482 /nfs/dbraw/zinc/91/94/82/975919482.db2.gz JKUNRDMSNFJPCJ-RISCZKNCSA-N 2 0 294.399 1.014 10 0 CDAERP CCC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001389598981 975924027 /nfs/dbraw/zinc/92/40/27/975924027.db2.gz AQDRSBRLBRWQLA-HUUCEWRRSA-N 2 0 281.444 1.754 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001398323910 975944671 /nfs/dbraw/zinc/94/46/71/975944671.db2.gz ICOPDNZKDNGDHQ-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C1CC1 ZINC001389674960 975949852 /nfs/dbraw/zinc/94/98/52/975949852.db2.gz LPDFJJPWJIGJLK-GJZGRUSLSA-N 2 0 281.444 1.754 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001390007111 976080850 /nfs/dbraw/zinc/08/08/50/976080850.db2.gz ICRMXYCUZCHQSB-SOUVJXGZSA-N 2 0 299.434 1.703 10 0 CDAERP CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]C/C=C/Cl)C1)[NH+]1CCCC1 ZINC001398624935 976081084 /nfs/dbraw/zinc/08/10/84/976081084.db2.gz LMBKMRBIOTVWGH-JARXHUJSSA-N 2 0 299.846 1.850 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CC[C@H](C)O2)C1 ZINC001390012227 976084398 /nfs/dbraw/zinc/08/43/98/976084398.db2.gz QWTMKEJQFKYJJA-BYNSBNAKSA-N 2 0 297.443 1.133 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+](CCCF)C1 ZINC001398694752 976111123 /nfs/dbraw/zinc/11/11/23/976111123.db2.gz PGFXSPGHDPTVHE-ZDUSSCGKSA-N 2 0 273.396 1.126 10 0 CDAERP C[N@H+](CC(=O)NC[C@H]1CC[NH+]1CC1CCCC1)C1CCC1 ZINC001379974475 976159545 /nfs/dbraw/zinc/15/95/45/976159545.db2.gz BGYUGALCJMRAGK-MRXNPFEDSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1CCC[N@H+](CC2CCC2)C1 ZINC001390204654 976169870 /nfs/dbraw/zinc/16/98/70/976169870.db2.gz WGDBWGVSPLTWFQ-GDBMZVCRSA-N 2 0 295.471 1.955 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]([NH2+]CCC2CC2)C2CC2)C1 ZINC001402367362 976251474 /nfs/dbraw/zinc/25/14/74/976251474.db2.gz SDRKDEFIIBWXGB-HOCLYGCPSA-N 2 0 293.455 1.613 10 0 CDAERP CC(C)[NH+]1CCC([C@H](C)NC(=O)CCC[NH+](C)C)CC1 ZINC001380144022 976260209 /nfs/dbraw/zinc/26/02/09/976260209.db2.gz AGFFZUNOLYZXNE-AWEZNQCLSA-N 2 0 283.460 1.953 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)C1CC([NH2+]CC[C@@H](C)F)C1 ZINC001380180638 976282230 /nfs/dbraw/zinc/28/22/30/976282230.db2.gz ZYVYWTYRYDQWIT-IYXRBSQSSA-N 2 0 287.423 1.655 10 0 CDAERP C[C@H](F)CC[NH2+][C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001399010090 976283318 /nfs/dbraw/zinc/28/33/18/976283318.db2.gz BOULBLYMEWNYLN-RYUDHWBXSA-N 2 0 273.396 1.171 10 0 CDAERP CC(C)C[C@@H](C)C[NH2+][C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001390516041 976346156 /nfs/dbraw/zinc/34/61/56/976346156.db2.gz XJWRQZHFVRWRBN-CABCVRRESA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)[NH+](C)CC(=O)N[C@H](C)C[N@H+](C)C[C@@H]1CCCCO1 ZINC001406727356 976382233 /nfs/dbraw/zinc/38/22/33/976382233.db2.gz SRDMQHKPOCMHQY-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)[NH2+]CC(C)C)CC[N@@H+]1C ZINC001390660332 976423584 /nfs/dbraw/zinc/42/35/84/976423584.db2.gz WEAYQGJTVMARPG-SOUVJXGZSA-N 2 0 283.460 1.857 10 0 CDAERP CC(C)(C(=O)NC[C@@H]1CC[N@@H+]1CC1CC1)[NH+]1CCCC1 ZINC001406833643 976430191 /nfs/dbraw/zinc/43/01/91/976430191.db2.gz DYVNTWJTOAMOPT-AWEZNQCLSA-N 2 0 279.428 1.461 10 0 CDAERP C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccn1 ZINC001390717625 976450691 /nfs/dbraw/zinc/45/06/91/976450691.db2.gz GENBGDFOFAECDO-KGLIPLIRSA-N 2 0 290.411 1.018 10 0 CDAERP COC[C@@H](C)[NH2+]C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001402760257 976470121 /nfs/dbraw/zinc/47/01/21/976470121.db2.gz WXSREDMAKSTHQT-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001406971197 976497273 /nfs/dbraw/zinc/49/72/73/976497273.db2.gz DFMCZNLERGRWSV-GJZGRUSLSA-N 2 0 293.455 1.898 10 0 CDAERP CC(C)[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001380783259 976547690 /nfs/dbraw/zinc/54/76/90/976547690.db2.gz VWBRWHAYYNLNND-QLFBSQMISA-N 2 0 281.444 1.563 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1cncc(C)c1)[NH+](C)C ZINC001402908790 976581977 /nfs/dbraw/zinc/58/19/77/976581977.db2.gz ASTFMRNRSNBCOI-UKRRQHHQSA-N 2 0 292.427 1.325 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CC1CCCC1 ZINC001390891778 976588805 /nfs/dbraw/zinc/58/88/05/976588805.db2.gz XFKSTHSRNDHOCX-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP C[NH+](C)CCC(=O)NCC1([NH2+]Cc2cccnc2)CCC1 ZINC001380881627 976591681 /nfs/dbraw/zinc/59/16/81/976591681.db2.gz ZCLJBKVMFXALHZ-UHFFFAOYSA-N 2 0 290.411 1.162 10 0 CDAERP C[C@H]([NH2+]CCC1CC1)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001407559390 976697034 /nfs/dbraw/zinc/69/70/34/976697034.db2.gz SDBPWWIHIQRFCM-HOCLYGCPSA-N 2 0 293.455 1.709 10 0 CDAERP CCCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@H+](CC)C1 ZINC001391271165 976785915 /nfs/dbraw/zinc/78/59/15/976785915.db2.gz GSZNMVAFUAFWPQ-HOTGVXAUSA-N 2 0 293.455 1.661 10 0 CDAERP CC(C)C[N@H+](C)CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001391366154 976841724 /nfs/dbraw/zinc/84/17/24/976841724.db2.gz RWSWMUDEZDQRMF-UHFFFAOYSA-N 2 0 295.471 1.909 10 0 CDAERP CC[C@@H](C)C[N@H+](CC)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001492973245 976875628 /nfs/dbraw/zinc/87/56/28/976875628.db2.gz DFHKNEQMCYBULL-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001400176951 976913016 /nfs/dbraw/zinc/91/30/16/976913016.db2.gz QBQIPBBRAJFPER-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001403456474 976961918 /nfs/dbraw/zinc/96/19/18/976961918.db2.gz UBMPJACRSHXPKJ-APIJFGDWSA-N 2 0 281.444 1.469 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](C[C@H](C)CC)C1 ZINC001400298311 976974708 /nfs/dbraw/zinc/97/47/08/976974708.db2.gz VJMHKJPCLYQXHQ-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[NH2+]C[C@](C)(NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001391796377 977098797 /nfs/dbraw/zinc/09/87/97/977098797.db2.gz KUTSVZPSMCPRLX-HNNXBMFYSA-N 2 0 279.428 1.365 10 0 CDAERP CC[C@@H](C)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C ZINC001403816525 977212166 /nfs/dbraw/zinc/21/21/66/977212166.db2.gz IEDAXEXWIAAXLV-HUUCEWRRSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[NH2+]CC[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001392182580 977248053 /nfs/dbraw/zinc/24/80/53/977248053.db2.gz RUJYKNQIJATMKG-OAHLLOKOSA-N 2 0 281.444 1.851 10 0 CDAERP CC[C@@H](C(=O)N[C@]12CCC[C@H]1[N@H+](CCOC)CC2)[NH+](C)C ZINC001382325920 977251913 /nfs/dbraw/zinc/25/19/13/977251913.db2.gz CSPJCBGHWRIVOE-LZWOXQAQSA-N 2 0 297.443 1.086 10 0 CDAERP CC[NH2+][C@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1(C)C ZINC001382368855 977266492 /nfs/dbraw/zinc/26/64/92/977266492.db2.gz MIOQYCPSXBNTLX-KGLIPLIRSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001404020158 977308594 /nfs/dbraw/zinc/30/85/94/977308594.db2.gz IZZLGSCMOYCRSC-ZIAGYGMSSA-N 2 0 285.407 1.411 10 0 CDAERP CN(C(=O)C12CC[NH+](CC1)C2)C1CC([NH2+]C/C=C/Cl)C1 ZINC001382587227 977313591 /nfs/dbraw/zinc/31/35/91/977313591.db2.gz DFFFOGVQCYUQPA-GORDUTHDSA-N 2 0 297.830 1.414 10 0 CDAERP CC[C@H](C(=O)NC[C@H]1CC[N@H+](CCC2CC2)C1)[NH+](C)C ZINC001404070411 977326802 /nfs/dbraw/zinc/32/68/02/977326802.db2.gz LXSWTQOSCBMMBS-HUUCEWRRSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]1CC[N@H+](C/C=C\Cl)C1)[NH+](C)C ZINC001404080024 977331474 /nfs/dbraw/zinc/33/14/74/977331474.db2.gz RPJQPCDYMUCTAJ-XEBOPQQMSA-N 2 0 287.835 1.517 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001392316623 977404981 /nfs/dbraw/zinc/40/49/81/977404981.db2.gz CDDHHNKVLOEFML-CYBMUJFWSA-N 2 0 285.407 1.221 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH+](C)CC(C)C)CC[N@@H+]1C ZINC001392647566 977527811 /nfs/dbraw/zinc/52/78/11/977527811.db2.gz SULXPDIPOGQNTO-SOUVJXGZSA-N 2 0 283.460 1.809 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH+](C)CC(C)C)CC[N@@H+]1C ZINC001392647564 977529111 /nfs/dbraw/zinc/52/91/11/977529111.db2.gz SULXPDIPOGQNTO-QLFBSQMISA-N 2 0 283.460 1.809 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001392880394 977637419 /nfs/dbraw/zinc/63/74/19/977637419.db2.gz SHZSERCFYFUXLD-HUUCEWRRSA-N 2 0 299.434 1.801 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC(C)([NH2+]CC2CC2)CC1 ZINC001393748972 977907814 /nfs/dbraw/zinc/90/78/14/977907814.db2.gz UKEPZZFMLHJKIS-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N1CCC[C@H]1C[N@@H+](C)CC ZINC001393866575 977937993 /nfs/dbraw/zinc/93/79/93/977937993.db2.gz CJPOXIVJJULCCJ-KBPBESRZSA-N 2 0 287.423 1.609 10 0 CDAERP CC[NH2+][C@@H]1CN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1(C)C ZINC001394715160 978240102 /nfs/dbraw/zinc/24/01/02/978240102.db2.gz IMJWRBVLMBLMNQ-QWHCGFSZSA-N 2 0 287.423 1.513 10 0 CDAERP CCCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001676586440 1174243452 /nfs/dbraw/zinc/24/34/52/1174243452.db2.gz BWVULWXWPKHJDO-GJZGRUSLSA-N 2 0 299.459 1.116 10 0 CDAERP CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001569986645 1170054571 /nfs/dbraw/zinc/05/45/71/1170054571.db2.gz KDTXHCMERRGCBC-ZIAGYGMSSA-N 2 0 267.417 1.319 10 0 CDAERP CO[C@H](C)C[NH2+]CC[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001570021129 1170061032 /nfs/dbraw/zinc/06/10/32/1170061032.db2.gz BZMNGAHUMPMASB-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP C[NH+](C)C1(CNC(=O)C2([NH+](C)C)CCCC2)CC1 ZINC001570458298 1170162624 /nfs/dbraw/zinc/16/26/24/1170162624.db2.gz MLEFFCOKZAXBDD-UHFFFAOYSA-N 2 0 253.390 1.071 10 0 CDAERP CC[NH2+][C@H](C)[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001570633572 1170217626 /nfs/dbraw/zinc/21/76/26/1170217626.db2.gz INWJPISJNKEGTA-NEPJUHHUSA-N 2 0 257.422 1.467 10 0 CDAERP CC(C)[N@H+](C)[C@H](C)CNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001570749441 1170268952 /nfs/dbraw/zinc/26/89/52/1170268952.db2.gz VDVVUSPNLBSTOE-HIFRSBDPSA-N 2 0 267.417 1.317 10 0 CDAERP C[NH+](C)CC1(C(=O)NCC2=CC[N@H+](CCCF)CC2)CC1 ZINC001571693634 1170524151 /nfs/dbraw/zinc/52/41/51/1170524151.db2.gz GFPPBEGMZISRIS-UHFFFAOYSA-N 2 0 297.418 1.436 10 0 CDAERP CC(C)C[C@@H](C[NH3+])NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000566201674 370644564 /nfs/dbraw/zinc/64/45/64/370644564.db2.gz SXYHJLPYPFIEFX-KBPBESRZSA-N 2 0 269.433 1.741 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000618560858 349485041 /nfs/dbraw/zinc/48/50/41/349485041.db2.gz QZNKAUSSJVHUCZ-CQSZACIVSA-N 2 0 282.432 1.064 10 0 CDAERP CC(C)[NH2+][C@H]1CCCN(C(=O)N[C@@H]2CCC[N@H+](C)C2)C1 ZINC000601270433 342547781 /nfs/dbraw/zinc/54/77/81/342547781.db2.gz RKMOTKXIKOOGAH-KGLIPLIRSA-N 2 0 282.432 1.253 10 0 CDAERP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1cccc(-n2cnnn2)c1 ZINC000650742854 398172746 /nfs/dbraw/zinc/17/27/46/398172746.db2.gz FZOOFUSXSGKIER-LBPRGKRZSA-N 2 0 286.383 1.442 10 0 CDAERP NC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000650743218 398172757 /nfs/dbraw/zinc/17/27/57/398172757.db2.gz OMZNCTWGWVDJOO-XVIXHAIJSA-N 2 0 265.401 1.151 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000650724981 398163494 /nfs/dbraw/zinc/16/34/94/398163494.db2.gz QRXZTSLADRBBKM-JONQDZQNSA-N 2 0 283.460 1.721 10 0 CDAERP CC(C)OC(=O)CC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601334737 342555178 /nfs/dbraw/zinc/55/51/78/342555178.db2.gz MZIUSEHTFIEJJK-STQMWFEESA-N 2 0 254.374 1.402 10 0 CDAERP CC[NH+]1CCC([NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)CC1 ZINC000367125702 361767481 /nfs/dbraw/zinc/76/74/81/361767481.db2.gz HSGFNSZLGGPBLM-ZBFHGGJFSA-N 2 0 296.455 1.628 10 0 CDAERP CC[C@@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000042145610 342056925 /nfs/dbraw/zinc/05/69/25/342056925.db2.gz PVDBGMWZQDTZQZ-CQSZACIVSA-N 2 0 293.455 1.851 10 0 CDAERP C[NH+](C)CC1(NC(=O)CC[C@@H]2CCCC[N@@H+]2C)CCC1 ZINC000351624060 361814690 /nfs/dbraw/zinc/81/46/90/361814690.db2.gz WGCVYKLYZVBXCQ-AWEZNQCLSA-N 2 0 281.444 1.851 10 0 CDAERP Cc1cc(N(C)CC2CC[NH+](C[C@H](C)O)CC2)cc[nH+]1 ZINC000274360191 365635575 /nfs/dbraw/zinc/63/55/75/365635575.db2.gz NBOFCJPJCSUTBP-AWEZNQCLSA-N 2 0 277.412 1.919 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2nccn2C1 ZINC000617007396 342603775 /nfs/dbraw/zinc/60/37/75/342603775.db2.gz RWUVPSPGRBCRFN-OLZOCXBDSA-N 2 0 290.411 1.435 10 0 CDAERP C[NH+](C)CCCCC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000617013139 342604871 /nfs/dbraw/zinc/60/48/71/342604871.db2.gz NSRHZYQPHUTSSN-CYBMUJFWSA-N 2 0 269.433 1.707 10 0 CDAERP [NH3+]C[C@@H]1C[NH2+]C[C@H]1c1ccc(Br)cc1 ZINC000096884136 185119964 /nfs/dbraw/zinc/11/99/64/185119964.db2.gz RRSSAPMNUPUMLS-KOLCDFICSA-N 2 0 255.159 1.711 10 0 CDAERP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CC(C)(C)[NH3+] ZINC000251911020 300310050 /nfs/dbraw/zinc/31/00/50/300310050.db2.gz XELBCHOTPHOTLP-RYUDHWBXSA-N 2 0 253.390 1.199 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000629398904 361918937 /nfs/dbraw/zinc/91/89/37/361918937.db2.gz JFDGDVWIJFYERZ-UHFFFAOYSA-N 2 0 262.275 1.559 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)Cc1ccn(C(C)C)n1 ZINC000629404877 361947189 /nfs/dbraw/zinc/94/71/89/361947189.db2.gz SDQKFABBQOQGMO-ZDUSSCGKSA-N 2 0 268.405 1.221 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000440922696 361948553 /nfs/dbraw/zinc/94/85/53/361948553.db2.gz DCHLRDATCXGTAI-GZBFAFLISA-N 2 0 279.428 1.602 10 0 CDAERP CC1(C)C=C([C@](O)(C[NH3+])C(F)(F)F)CC(C)(C)[NH2+]1 ZINC000675052601 539048312 /nfs/dbraw/zinc/04/83/12/539048312.db2.gz GSNHMJZBBSABDZ-LLVKDONJSA-N 2 0 266.307 1.715 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)C[C@H]1C ZINC000600681794 342242289 /nfs/dbraw/zinc/24/22/89/342242289.db2.gz JUNHWXIWINBDBM-XVIXHAIJSA-N 2 0 268.401 1.694 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1cc(C(=O)OC)cs1 ZINC000600710461 342243564 /nfs/dbraw/zinc/24/35/64/342243564.db2.gz OSBWSWBQMCTPPR-JTQLQIEISA-N 2 0 286.397 1.421 10 0 CDAERP CC(C)N1CC[C@@H]([NH3+])[C@@]12CCN(C(=O)OC(C)(C)C)C2 ZINC000685955342 539116477 /nfs/dbraw/zinc/11/64/77/539116477.db2.gz XZAFMRYXNRRCOA-DOMZBBRYSA-N 2 0 283.416 1.807 10 0 CDAERP C[C@@H]([NH2+]CCCC[NH+](C)C)c1cccc(-n2cnnn2)c1 ZINC000045663491 539155665 /nfs/dbraw/zinc/15/56/65/539155665.db2.gz OJBBSFNHIYITNG-CYBMUJFWSA-N 2 0 288.399 1.655 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000595000382 342994962 /nfs/dbraw/zinc/99/49/62/342994962.db2.gz GTVUHHFBZFPUPM-APHBMKBZSA-N 2 0 294.439 1.896 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000629529232 362154682 /nfs/dbraw/zinc/15/46/82/362154682.db2.gz WFMLDRCRTSCJMT-SNVBAGLBSA-N 2 0 258.312 1.851 10 0 CDAERP CC[NH+](CC)C[C@@H](C)Nc1nc(N)[nH+]c2c1CCCC2 ZINC000645139782 362155970 /nfs/dbraw/zinc/15/59/70/362155970.db2.gz SJDTZZXZPVDSGM-LLVKDONJSA-N 2 0 277.416 1.332 10 0 CDAERP C[NH+](C)[C@H]1CCN(C(=O)c2ccc3c(c2)C[NH2+]C3)C1 ZINC000131156241 282263719 /nfs/dbraw/zinc/26/37/19/282263719.db2.gz UKXZGQQJCYVNCJ-AWEZNQCLSA-N 2 0 259.353 1.066 10 0 CDAERP C[C@@H](CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCC[NH2+]C1 ZINC000246681555 343964394 /nfs/dbraw/zinc/96/43/94/343964394.db2.gz VYGAZNKUWBZYGK-WDFJATGCSA-N 2 0 293.455 1.754 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000262664050 344696599 /nfs/dbraw/zinc/69/65/99/344696599.db2.gz HWZWPGTWOKPSFK-ZDEQEGDKSA-N 2 0 253.390 1.103 10 0 CDAERP O=C(N[C@@H]1CCC[NH2+]CC1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000376384010 295724505 /nfs/dbraw/zinc/72/45/05/295724505.db2.gz HPUUBOVBQJSJFQ-CRWXNKLISA-N 2 0 265.401 1.165 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN[C@H]1CC[NH+](C)C(C)(C)C1 ZINC000623339323 346068579 /nfs/dbraw/zinc/06/85/79/346068579.db2.gz UTKKNAGUBIDCHP-KBPBESRZSA-N 2 0 253.434 1.933 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]C2CCN(C(=O)C3CC3)CC2)CC1(C)C ZINC000623354401 346081687 /nfs/dbraw/zinc/08/16/87/346081687.db2.gz RUNBESXZCGAFAN-OAHLLOKOSA-N 2 0 293.455 1.850 10 0 CDAERP C[C@H](Cn1cccn1)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623355342 346082208 /nfs/dbraw/zinc/08/22/08/346082208.db2.gz KHEDAPUGGJBFAE-CHWSQXEVSA-N 2 0 250.390 1.734 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCn2ccnc2)CC1(C)C ZINC000623335917 346064970 /nfs/dbraw/zinc/06/49/70/346064970.db2.gz LPJHXGWMYCTVQE-ZDUSSCGKSA-N 2 0 250.390 1.736 10 0 CDAERP CC(C)C[NH+]1CCN(CCCC[C@@](C)(O)C[NH3+])CC1 ZINC000085302226 179011526 /nfs/dbraw/zinc/01/15/26/179011526.db2.gz ZPDKWLYRKYIWEZ-OAHLLOKOSA-N 2 0 271.449 1.140 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000085358765 179031254 /nfs/dbraw/zinc/03/12/54/179031254.db2.gz XJSHRUOUEZSHDA-STQMWFEESA-N 2 0 253.390 1.057 10 0 CDAERP CC(C)CO[C@H]1C[C@H]([NH2+]CCN2CC[NH+](C)CC2)C1(C)C ZINC000085400701 179051710 /nfs/dbraw/zinc/05/17/10/179051710.db2.gz DKKIZVPARANHHF-HOTGVXAUSA-N 2 0 297.487 1.663 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CCCOC[C@H]2CCOC2)CC1(C)C ZINC000623428315 346581783 /nfs/dbraw/zinc/58/17/83/346581783.db2.gz GNVIBEZNVJQEQN-HUUCEWRRSA-N 2 0 284.444 1.892 10 0 CDAERP C[C@@H](C(=O)N(C)CCC[NH+](C)C)[NH+]1CCCCCC1 ZINC000540517781 282510610 /nfs/dbraw/zinc/51/06/10/282510610.db2.gz YCESFKSZEPGWFS-AWEZNQCLSA-N 2 0 269.433 1.661 10 0 CDAERP [NH3+][C@]1(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)CCOC1 ZINC000085871567 179193041 /nfs/dbraw/zinc/19/30/41/179193041.db2.gz FFRHHDHLSAEOEE-MRXNPFEDSA-N 2 0 289.379 1.339 10 0 CDAERP CC[NH+](CC)Cc1ccccc1NC(=O)[C@@]1([NH3+])CCOC1 ZINC000085873518 179194033 /nfs/dbraw/zinc/19/40/33/179194033.db2.gz XFHYRXQSPHSWBF-MRXNPFEDSA-N 2 0 291.395 1.585 10 0 CDAERP CCC[NH2+][C@@H](CCO)CN1CC[NH+]([C@@H](C)CC)CC1 ZINC000085922710 179201442 /nfs/dbraw/zinc/20/14/42/179201442.db2.gz GXEHANPOPUENPC-GJZGRUSLSA-N 2 0 271.449 1.153 10 0 CDAERP C[C@]1(NC(=O)NC2CC([NH+]3CCCCC3)C2)CC[NH2+]C1 ZINC000612902575 347323882 /nfs/dbraw/zinc/32/38/82/347323882.db2.gz CEJADJURJVMKCZ-PIMMBPRGSA-N 2 0 280.416 1.055 10 0 CDAERP CC[N@@H+]1CC[C@H](CN2CC[NH2+]C(CC)(CC)C2)C1 ZINC000086141853 179236524 /nfs/dbraw/zinc/23/65/24/179236524.db2.gz WRLKWPQVLJIKKE-AWEZNQCLSA-N 2 0 253.434 1.792 10 0 CDAERP C[NH+](C)CCCC[N@@H+]1CCN[C@H](c2ccccc2)C1 ZINC000086146710 179238649 /nfs/dbraw/zinc/23/86/49/179238649.db2.gz KNLKWMSRALMADY-INIZCTEOSA-N 2 0 261.413 1.975 10 0 CDAERP CC[C@H](C)[C@H]1CN(C[C@@H]2CCC[N@H+](C)C2)CC[NH2+]1 ZINC000086145754 179238396 /nfs/dbraw/zinc/23/83/96/179238396.db2.gz BGKLZJIVGXRPLL-RRFJBIMHSA-N 2 0 253.434 1.648 10 0 CDAERP CC[C@H]1C[NH2+][C@H](C(C)C)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086171842 179242797 /nfs/dbraw/zinc/24/27/97/179242797.db2.gz CVCDTZRGNBWOBC-ILXRZTDVSA-N 2 0 253.434 1.647 10 0 CDAERP CC(C)C[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000065960952 347475570 /nfs/dbraw/zinc/47/55/70/347475570.db2.gz YOQLSKNTKLHTKE-UHFFFAOYSA-N 2 0 267.417 1.317 10 0 CDAERP CC[C@H]1C[NH2+][C@@H](C2CC2)CN1[C@@H]1CCC[N@H+](CC)C1 ZINC000086225409 179253359 /nfs/dbraw/zinc/25/33/59/179253359.db2.gz QPMNDYOUNFXHKG-ARFHVFGLSA-N 2 0 265.445 1.933 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCO[C@@H]2CC2(F)F)CC1(C)C ZINC000623564380 347635262 /nfs/dbraw/zinc/63/52/62/347635262.db2.gz AFDWDAOJHANMRY-WDEREUQCSA-N 2 0 262.344 1.873 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCOC(F)(F)F)CC1(C)C ZINC000623505224 347607854 /nfs/dbraw/zinc/60/78/54/347607854.db2.gz UTJVWPHOAKVHPQ-VIFPVBQESA-N 2 0 254.296 1.985 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](C[C@@H](COC)OC)CC1 ZINC000659843196 412542037 /nfs/dbraw/zinc/54/20/37/412542037.db2.gz NBELJQKDMOOEQO-HNNXBMFYSA-N 2 0 272.433 1.702 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CCOC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000615264698 348414586 /nfs/dbraw/zinc/41/45/86/348414586.db2.gz MBXVMKWYZQAKAH-HUUCEWRRSA-N 2 0 297.443 1.040 10 0 CDAERP C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc(C[NH+](C)C)nc1 ZINC000615302189 348429619 /nfs/dbraw/zinc/42/96/19/348429619.db2.gz BYTZXVFINUAKSB-WFASDCNBSA-N 2 0 290.411 1.308 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CC[C@@H](C)[NH2+]C2)[C@H](C)C1 ZINC000629537438 362952814 /nfs/dbraw/zinc/95/28/14/362952814.db2.gz JGKSYKBGGAWHHP-VQHPVUNQSA-N 2 0 297.487 1.854 10 0 CDAERP CC[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H](C)[NH2+]1 ZINC000620902874 350372483 /nfs/dbraw/zinc/37/24/83/350372483.db2.gz AXUIKEXQDGHSGN-XJKSGUPXSA-N 2 0 289.423 1.961 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000629541327 362964836 /nfs/dbraw/zinc/96/48/36/362964836.db2.gz YIDBHXGCNXBDBT-SOUVJXGZSA-N 2 0 270.417 1.537 10 0 CDAERP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629542399 362966366 /nfs/dbraw/zinc/96/63/66/362966366.db2.gz YXHOQZCHCQDBRB-LUYZLQTOSA-N 2 0 261.413 1.675 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000629547181 362973340 /nfs/dbraw/zinc/97/33/40/362973340.db2.gz RSPBHHUBNFFZRJ-VYDRJRHOSA-N 2 0 251.418 1.637 10 0 CDAERP CC[C@@H]1CN([C@@H](C[NH3+])c2cccc(F)c2)CC[N@@H+]1C ZINC000110921104 186332776 /nfs/dbraw/zinc/33/27/76/186332776.db2.gz BRWRMDSDQKKOAB-CABCVRRESA-N 2 0 265.376 1.852 10 0 CDAERP Cn1cnc(C[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000659854192 412556318 /nfs/dbraw/zinc/55/63/18/412556318.db2.gz YMCZWCOFCTWEAB-UHFFFAOYSA-N 2 0 250.390 1.584 10 0 CDAERP C[C@@H](COCc1ccccc1)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000390647001 363143344 /nfs/dbraw/zinc/14/33/44/363143344.db2.gz QZLIEMGDHPTBTD-DOTOQJQBSA-N 2 0 292.423 1.638 10 0 CDAERP COc1ccc(C[NH+]2CCC(N3CC([NH3+])C3)CC2)cc1 ZINC000090410978 358473240 /nfs/dbraw/zinc/47/32/40/358473240.db2.gz SSEDJFNGESKTAL-UHFFFAOYSA-N 2 0 275.396 1.303 10 0 CDAERP CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)[NH3+])c1ccco1 ZINC000157248704 188305836 /nfs/dbraw/zinc/30/58/36/188305836.db2.gz CVDPEEAPZGTVRT-QWRGUYRKSA-N 2 0 253.346 1.126 10 0 CDAERP Cc1cc(N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)nc(C2CC2)n1 ZINC000333931026 363232347 /nfs/dbraw/zinc/23/23/47/363232347.db2.gz ZPZCAOVINWHDLR-RWMBFGLXSA-N 2 0 258.369 1.836 10 0 CDAERP CN(C)c1ncc(C[NH2+]C[C@@H](O)CC2CCCC2)n1C ZINC000569961988 363253169 /nfs/dbraw/zinc/25/31/69/363253169.db2.gz MTXFOWDNAOQIQV-AWEZNQCLSA-N 2 0 280.416 1.517 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1cnc2ccc(Cl)cn12 ZINC000629654305 363255825 /nfs/dbraw/zinc/25/58/25/363255825.db2.gz PGPYSXUSUIOGCB-UHFFFAOYSA-N 2 0 296.802 1.656 10 0 CDAERP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCC(=O)NC2(C)C)C1 ZINC000644535675 366154514 /nfs/dbraw/zinc/15/45/14/366154514.db2.gz XVMCEZMWRLXXNH-STQMWFEESA-N 2 0 267.417 1.365 10 0 CDAERP CC[C@@H](O)C[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000644577191 366200813 /nfs/dbraw/zinc/20/08/13/366200813.db2.gz WXEUDUJVUXOMRG-OAHLLOKOSA-N 2 0 283.460 1.297 10 0 CDAERP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000565833893 293693566 /nfs/dbraw/zinc/69/35/66/293693566.db2.gz MCGBSXISMAVCJG-BTFYYFJDSA-N 2 0 291.439 1.509 10 0 CDAERP CCN1CCO[C@@H](C[NH2+]Cc2ccc(F)cc2C)C1 ZINC000134440417 356307112 /nfs/dbraw/zinc/30/71/12/356307112.db2.gz IFPWIOLUXILQLY-HNNXBMFYSA-N 2 0 266.360 1.944 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N(C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245422851 140266058 /nfs/dbraw/zinc/26/60/58/140266058.db2.gz ANHPYJDQZUHQEG-LSDHHAIUSA-N 2 0 298.475 1.842 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@@H]1CCC[NH+]1C ZINC000171053141 356809446 /nfs/dbraw/zinc/80/94/46/356809446.db2.gz JWEFSBRITFOXFT-STQMWFEESA-N 2 0 270.421 1.110 10 0 CDAERP C[C@H](C[NH2+]C[C@@H](O)C[C@@](C)(O)C1CC1)C[NH+]1CCCCC1 ZINC000634701446 357374718 /nfs/dbraw/zinc/37/47/18/357374718.db2.gz QDSAPBGHFBHERS-HYVNUMGLSA-N 2 0 298.471 1.610 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)C[C@@](C)(O)C2CC2)C1 ZINC000634707951 357388245 /nfs/dbraw/zinc/38/82/45/357388245.db2.gz NZDBLFIHIOXNKA-DJIMGWMZSA-N 2 0 298.471 1.466 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634745639 358198513 /nfs/dbraw/zinc/19/85/13/358198513.db2.gz NYSBNFPELHNLPR-GASCZTMLSA-N 2 0 284.363 1.654 10 0 CDAERP C[C@H](CC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[C@@H]1CCC[NH2+]C1 ZINC000634750321 358235100 /nfs/dbraw/zinc/23/51/00/358235100.db2.gz TZYCKVYFSBJIFZ-SRABZTEZSA-N 2 0 293.455 1.470 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000634750571 358238258 /nfs/dbraw/zinc/23/82/58/358238258.db2.gz ZOMXXWKSYXOIIP-LOKCYVOWSA-N 2 0 291.439 1.365 10 0 CDAERP CC[N@H+](C[C@H](O)CN(C)Cc1ccccc1)[C@H](C)CO ZINC000644706741 366391337 /nfs/dbraw/zinc/39/13/37/366391337.db2.gz AFFFOOXJSGQAGN-GDBMZVCRSA-N 2 0 280.412 1.182 10 0 CDAERP CC(C)OC[C@H](O)C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000062071516 358800234 /nfs/dbraw/zinc/80/02/34/358800234.db2.gz WVJZFEJCZNAGFV-ZIAGYGMSSA-N 2 0 258.406 1.094 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](C)[C@@H](C)[C@@H]2C)CC[N@@H+]1C ZINC000632275332 358959270 /nfs/dbraw/zinc/95/92/70/358959270.db2.gz RJJCPFASLMTVSG-XDQVBPFNSA-N 2 0 267.417 1.268 10 0 CDAERP C1CC1N1CCC([NH2+][C@H]2CCC[C@@H]2[C@H]2COCCN2)CC1 ZINC000261889029 359078817 /nfs/dbraw/zinc/07/88/17/359078817.db2.gz GERJJEUTDYQGHM-YESZJQIVSA-N 3 0 293.455 1.360 10 0 CDAERP C[C@]1(CN2CCC[C@H]([NH+]3CCCC3)CC2)CC[NH2+]C1 ZINC000261944110 359098735 /nfs/dbraw/zinc/09/87/35/359098735.db2.gz FAYINWSNNOBRSX-HOTGVXAUSA-N 2 0 265.445 1.936 10 0 CDAERP COCCN(Cc1scnc1C)C[C@H]1CCC[NH2+]C1 ZINC000262048740 359130224 /nfs/dbraw/zinc/13/02/24/359130224.db2.gz ZIQPTQAUMBSXBA-ZDUSSCGKSA-N 2 0 283.441 1.900 10 0 CDAERP CO[C@@]1(C)C[C@H](N(C)Cc2noc(CN)n2)C1(C)C ZINC000262151928 359139594 /nfs/dbraw/zinc/13/95/94/359139594.db2.gz GBZJTVNXFDQLTJ-ZANVPECISA-N 2 0 268.361 1.164 10 0 CDAERP CC(C)C[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)C(=O)NCC[NH+](C)C ZINC000347227893 359240103 /nfs/dbraw/zinc/24/01/03/359240103.db2.gz MZKUYXYRZYULNL-ZNMIVQPWSA-N 2 0 299.459 1.094 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC000335012143 359361806 /nfs/dbraw/zinc/36/18/06/359361806.db2.gz YAUGTCXWKZTQDB-UONOGXRCSA-N 2 0 279.428 1.591 10 0 CDAERP CC[C@H]1C[N@H+](CC)CCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000456395094 363647619 /nfs/dbraw/zinc/64/76/19/363647619.db2.gz ZKECSMTYEDJDFJ-KKUMJFAQSA-N 2 0 281.444 1.659 10 0 CDAERP C[C@@H]1C[C@@H](C)N(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)C[C@@H]1C[NH3+] ZINC000422540756 359641178 /nfs/dbraw/zinc/64/11/78/359641178.db2.gz MOJUOHFGOWYUMK-BJJPWKGXSA-N 2 0 267.417 1.206 10 0 CDAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCCCC(C)(C)C)CC1 ZINC000563952627 316403502 /nfs/dbraw/zinc/40/35/02/316403502.db2.gz NXBSSGDVZGSIQI-HNNXBMFYSA-N 2 0 285.476 1.401 10 0 CDAERP CCOc1cccc(CC[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])c1 ZINC000423002915 359746904 /nfs/dbraw/zinc/74/69/04/359746904.db2.gz ZWJLMANWHZYEMO-RRQGHBQHSA-N 2 0 292.423 1.970 10 0 CDAERP Cn1ccnc1C[C@@H]1CCCN(C(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000335369245 360110427 /nfs/dbraw/zinc/11/04/27/360110427.db2.gz VDAXLJJREVGYEV-XJKSGUPXSA-N 2 0 290.411 1.201 10 0 CDAERP O=C([C@H]1C[NH2+]Cc2ccccc21)N1CCC2(CC[NH2+]C2)CC1 ZINC000335446838 360192223 /nfs/dbraw/zinc/19/22/23/360192223.db2.gz UAVAGFWDDOWWKO-INIZCTEOSA-N 2 0 299.418 1.476 10 0 CDAERP CN(C(=O)[C@@H]1C[NH2+]Cc2ccccc21)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000335463026 360215789 /nfs/dbraw/zinc/21/57/89/360215789.db2.gz JWEYOLNRKDZVDQ-DOTOQJQBSA-N 2 0 299.418 1.569 10 0 CDAERP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(C[NH3+])cc1 ZINC000335477520 360335184 /nfs/dbraw/zinc/33/51/84/360335184.db2.gz OWYCOUMBVLHXGM-HNNXBMFYSA-N 2 0 275.396 1.558 10 0 CDAERP [NH3+][C@@H](CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)C1CC1 ZINC000515004920 360419796 /nfs/dbraw/zinc/41/97/96/360419796.db2.gz OTTLIYFLDCNSJP-CABCVRRESA-N 2 0 294.443 1.384 10 0 CDAERP C[C@H](CNC(=O)N[C@@H]1CC[NH2+]C12CCC2)C[NH+]1CCCC1 ZINC000626941956 360674451 /nfs/dbraw/zinc/67/44/51/360674451.db2.gz PJKXCQIRXFRKAS-ZIAGYGMSSA-N 2 0 294.443 1.302 10 0 CDAERP CC(C)OCC[C@H](O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429021154 360741581 /nfs/dbraw/zinc/74/15/81/360741581.db2.gz PLUAYJWQHPLOID-LSDHHAIUSA-N 2 0 270.417 1.190 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000417255727 296026422 /nfs/dbraw/zinc/02/64/22/296026422.db2.gz QHLKLOHOEYWPGJ-VJTDZRGJSA-N 2 0 284.448 1.388 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CC(O)(C2CC2)C2CC2)CC[N@@H+]1C ZINC000639321504 361091466 /nfs/dbraw/zinc/09/14/66/361091466.db2.gz NSCFUOOTTSSIQG-RISCZKNCSA-N 2 0 252.402 1.610 10 0 CDAERP O=C(CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)NCc1ccco1 ZINC000339068864 361257714 /nfs/dbraw/zinc/25/77/14/361257714.db2.gz IFSMGCSEHRIDBF-CHWSQXEVSA-N 2 0 277.368 1.112 10 0 CDAERP CC[N@H+](CC(=O)NC[C@@H]1CC[NH+]1C1CCCC1)C1CC1 ZINC000628975154 361369972 /nfs/dbraw/zinc/36/99/72/361369972.db2.gz QGIIOOIWOBRHLQ-HNNXBMFYSA-N 2 0 279.428 1.604 10 0 CDAERP C[C@H](CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)CS(C)(=O)=O ZINC000158952076 361471115 /nfs/dbraw/zinc/47/11/15/361471115.db2.gz LTDHBDHDLFQUPV-MGPQQGTHSA-N 2 0 288.457 1.083 10 0 CDAERP C(C[C@H]1CCOC1)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000645777735 361452768 /nfs/dbraw/zinc/45/27/68/361452768.db2.gz KTVQBBZMAFSMBT-KRWDZBQOSA-N 2 0 296.455 1.847 10 0 CDAERP CN(CC1CC1)C(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000350946976 361520905 /nfs/dbraw/zinc/52/09/05/361520905.db2.gz DGAIGYCBZSIJCK-UHFFFAOYSA-N 2 0 267.417 1.128 10 0 CDAERP Cn1cnc(CCNC(=O)NCC2([NH+](C)C)CCCC2)c1 ZINC000457440575 364052577 /nfs/dbraw/zinc/05/25/77/364052577.db2.gz PCQONJHEAUEZOQ-UHFFFAOYSA-N 2 0 293.415 1.136 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000357237599 366852399 /nfs/dbraw/zinc/85/23/99/366852399.db2.gz WQFMDBBRCPXHRH-UPJWGTAASA-N 2 0 253.390 1.022 10 0 CDAERP CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)C1 ZINC000641279204 365292847 /nfs/dbraw/zinc/29/28/47/365292847.db2.gz PGHJDYLEARRCBA-BFHYXJOUSA-N 2 0 282.432 1.156 10 0 CDAERP C[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1C)[NH+]1CCC[C@@H](C)C1 ZINC000249740257 365300648 /nfs/dbraw/zinc/30/06/48/365300648.db2.gz IAANYKGHIXHOFD-KFWWJZLASA-N 2 0 296.459 1.500 10 0 CDAERP CCc1ncc(C[NH2+]CCCC[NH+]2CCOCC2)cn1 ZINC000414283430 241136435 /nfs/dbraw/zinc/13/64/35/241136435.db2.gz JBAIAZOURUFHFA-UHFFFAOYSA-N 2 0 278.400 1.241 10 0 CDAERP C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414680394 241318466 /nfs/dbraw/zinc/31/84/66/241318466.db2.gz NCNAHUGBETVDEM-CQSZACIVSA-N 2 0 293.386 1.455 10 0 CDAERP COc1cc(C[NH2+]CC[C@H]2CC[NH2+]C2)cc2c1OCCO2 ZINC000414826257 367003279 /nfs/dbraw/zinc/00/32/79/367003279.db2.gz FHXJVMCEGKSBQC-GFCCVEGCSA-N 2 0 292.379 1.556 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN[C@@H](C)[C@@H](C)[NH3+] ZINC000415022731 241521143 /nfs/dbraw/zinc/52/11/43/241521143.db2.gz WAFGTNURTPBISI-MNOVXSKESA-N 2 0 259.357 1.401 10 0 CDAERP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000566854599 370827662 /nfs/dbraw/zinc/82/76/62/370827662.db2.gz BEWLAPOUHSFIRM-MCIONIFRSA-N 2 0 267.417 1.447 10 0 CDAERP CC(C)[NH2+]CCCNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627071435 367339009 /nfs/dbraw/zinc/33/90/09/367339009.db2.gz PJDVBNKXAKKKCQ-GASCZTMLSA-N 2 0 282.432 1.016 10 0 CDAERP O=C(NC1CC([NH+]2CCCCC2)C1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000357894748 367285456 /nfs/dbraw/zinc/28/54/56/367285456.db2.gz GKGUDLPHZMOZGI-BCLQGDPASA-N 2 0 291.439 1.746 10 0 CDAERP C[C@H]1CC[C@H](NC(=O)NCCCCC[NH+]2CCCC2)C[NH2+]1 ZINC000627045546 367295631 /nfs/dbraw/zinc/29/56/31/367295631.db2.gz FJRBTMJQMXCKCG-GJZGRUSLSA-N 2 0 296.459 1.692 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCCC1CC[NH2+]CC1)C2 ZINC000627111456 367461019 /nfs/dbraw/zinc/46/10/19/367461019.db2.gz RBXJVMKEUDKINJ-IYBDPMFKSA-N 2 0 294.443 1.017 10 0 CDAERP C[C@H]1CN(C)C[C@@H]1[NH2+]CCNC(=O)c1c(F)cccc1F ZINC000358139668 367463863 /nfs/dbraw/zinc/46/38/63/367463863.db2.gz KVXFBXIDWPJVRR-GWCFXTLKSA-N 2 0 297.349 1.234 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCC1([NH+](C)C)CCCC1 ZINC000416830805 242173798 /nfs/dbraw/zinc/17/37/98/242173798.db2.gz RXJJHHIYRRWDIC-CHWSQXEVSA-N 2 0 282.432 1.158 10 0 CDAERP C[NH2+]CCNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000416895480 242215965 /nfs/dbraw/zinc/21/59/65/242215965.db2.gz NXVIDTQEGMHSAR-UHFFFAOYSA-N 2 0 290.411 1.301 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C)CCC[NH3+] ZINC000416998139 242258808 /nfs/dbraw/zinc/25/88/08/242258808.db2.gz AVYIZNQHOFTXKQ-NWDGAFQWSA-N 2 0 258.410 1.143 10 0 CDAERP C[C@H]1CC[C@H](NC(=O)NCC2(C)CC[NH+](C)CC2)C[NH2+]1 ZINC000627205149 367700977 /nfs/dbraw/zinc/70/09/77/367700977.db2.gz NCIMGHCCGKJNTD-STQMWFEESA-N 2 0 282.432 1.158 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)NCCC[NH2+]C)CC1 ZINC000417398568 242456414 /nfs/dbraw/zinc/45/64/14/242456414.db2.gz YOJLTMUZHZEXBA-UHFFFAOYSA-N 2 0 270.421 1.017 10 0 CDAERP C[NH2+]CCCNCc1cn(-c2cc[nH+]cc2)nc1C ZINC000414859085 367766880 /nfs/dbraw/zinc/76/68/80/367766880.db2.gz LZSQDVRLUFLFPA-UHFFFAOYSA-N 2 0 259.357 1.275 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)CC2(O)CCC2)[C@@H](C)C1 ZINC000528417398 367833485 /nfs/dbraw/zinc/83/34/85/367833485.db2.gz SAGHCZGTRUCWFI-ZNMIVQPWSA-N 2 0 284.444 1.315 10 0 CDAERP CC[NH2+][C@H](C)CNC(=O)NCCC1CC[NH+](CC)CC1 ZINC000417743098 242632706 /nfs/dbraw/zinc/63/27/06/242632706.db2.gz BRKWFHFGOKCIJA-CYBMUJFWSA-N 2 0 284.448 1.406 10 0 CDAERP [NH3+][C@H]1CC=C(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000638117153 368475962 /nfs/dbraw/zinc/47/59/62/368475962.db2.gz JPNQEXNSYMXAGI-DLBZAZTESA-N 2 0 299.418 1.815 10 0 CDAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000418584334 243239465 /nfs/dbraw/zinc/23/94/65/243239465.db2.gz XHYBVPGPOVOKOX-DZGCQCFKSA-N 2 0 296.459 1.535 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000418575954 243228395 /nfs/dbraw/zinc/22/83/95/243228395.db2.gz NSVOHBWKFXMMFR-ABAIWWIYSA-N 2 0 288.395 1.087 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)[C@@H](C)C1 ZINC000418619538 243283559 /nfs/dbraw/zinc/28/35/59/243283559.db2.gz PCSPGAXHUSNFBO-BARDWOONSA-N 2 0 296.459 1.356 10 0 CDAERP CC[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)[NH+](C)C ZINC000360971778 368578409 /nfs/dbraw/zinc/57/84/09/368578409.db2.gz XACKWQSDQTUQQQ-CHWSQXEVSA-N 2 0 253.390 1.022 10 0 CDAERP C[C@@H](NC(=O)Nc1cccc(OCC[NH+](C)C)c1)[C@H](C)[NH3+] ZINC000414880959 368677214 /nfs/dbraw/zinc/67/72/14/368677214.db2.gz KMWDTZXOOUBRJS-NWDGAFQWSA-N 2 0 294.399 1.484 10 0 CDAERP C[C@H](C[NH3+])C[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000414882799 368771496 /nfs/dbraw/zinc/77/14/96/368771496.db2.gz UMMZVIMOOBRLHH-SECBINFHSA-N 2 0 265.382 1.284 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)[C@H]1C ZINC000361329557 368753535 /nfs/dbraw/zinc/75/35/35/368753535.db2.gz BMTWTMAGLFMNNN-OLZOCXBDSA-N 2 0 279.428 1.460 10 0 CDAERP COC(=O)c1ccc(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)nc1 ZINC000286421225 368824913 /nfs/dbraw/zinc/82/49/13/368824913.db2.gz MKEKBSZSLUFLFJ-SWLSCSKDSA-N 2 0 291.395 1.783 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)COCC2CC2)[C@@H]2CCC[C@@H]21 ZINC000353493928 368857392 /nfs/dbraw/zinc/85/73/92/368857392.db2.gz AXHNHWUNHOWWOZ-VGWMRTNUSA-N 2 0 282.428 1.236 10 0 CDAERP CC[NH+](CC)CCCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC000543715692 368957577 /nfs/dbraw/zinc/95/75/77/368957577.db2.gz DREZVLWBYJRGBF-UHFFFAOYSA-N 2 0 292.427 1.756 10 0 CDAERP COC(=O)CCC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420384395 244180584 /nfs/dbraw/zinc/18/05/84/244180584.db2.gz DQRPLSYLVGEAOU-STQMWFEESA-N 2 0 254.374 1.404 10 0 CDAERP C[N@H+](Cc1cn(C[C@@H]2CCC[NH2+]2)nn1)C1CCCCC1 ZINC000630603876 369376173 /nfs/dbraw/zinc/37/61/73/369376173.db2.gz LNXQRUYOTCKEPX-ZDUSSCGKSA-N 2 0 277.416 1.795 10 0 CDAERP C[C@@H](CC[NH+](C)C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000368260447 369414303 /nfs/dbraw/zinc/41/43/03/369414303.db2.gz QSAMDNIONMQODJ-WFASDCNBSA-N 2 0 287.423 1.655 10 0 CDAERP COc1ncc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(C)n1 ZINC000369054861 369675438 /nfs/dbraw/zinc/67/54/38/369675438.db2.gz MYOOAWBDPSLLKK-ZFWWWQNUSA-N 2 0 290.411 1.710 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC[N@@H+]1C ZINC000548090960 369749118 /nfs/dbraw/zinc/74/91/18/369749118.db2.gz UGVYQUQTTHYGAW-AJNGGQMLSA-N 2 0 281.444 1.706 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)CC[N@@H+]1C ZINC000630762904 369980939 /nfs/dbraw/zinc/98/09/39/369980939.db2.gz QCVGZTPJYHPLKP-CBBWQLFWSA-N 2 0 279.428 1.460 10 0 CDAERP CCC[C@@H](C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[NH+](C)C ZINC000119400410 370109753 /nfs/dbraw/zinc/10/97/53/370109753.db2.gz PZHWSOROLPAGIR-OLZOCXBDSA-N 2 0 271.449 1.809 10 0 CDAERP CCC[N@H+](CC)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000370747883 370152152 /nfs/dbraw/zinc/15/21/52/370152152.db2.gz GGTQTLKTNHFWPI-HNNXBMFYSA-N 2 0 299.459 1.191 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000418197010 370278815 /nfs/dbraw/zinc/27/88/15/370278815.db2.gz IPXAFBGCLVRUCL-HIFRSBDPSA-N 2 0 296.459 1.643 10 0 CDAERP C[C@H]([NH3+])[C@H](C)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000389851068 370427772 /nfs/dbraw/zinc/42/77/72/370427772.db2.gz VRARPULICQXOCI-RZLSGREXSA-N 2 0 261.413 1.832 10 0 CDAERP COC[C@H](C)C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000565860787 370551282 /nfs/dbraw/zinc/55/12/82/370551282.db2.gz PKZDFSJKIKGDCM-OAHLLOKOSA-N 2 0 283.460 1.228 10 0 CDAERP CC[NH+]1CCC(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000643453723 370580634 /nfs/dbraw/zinc/58/06/34/370580634.db2.gz VTPJKKOXGLRHJZ-HIFRSBDPSA-N 3 0 253.434 1.696 10 0 CDAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C[NH+]1CCC(C)CC1 ZINC000121779524 370637452 /nfs/dbraw/zinc/63/74/52/370637452.db2.gz LHBNFIDRKWCRMP-HZPDHXFCSA-N 2 0 293.455 1.804 10 0 CDAERP Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422805203 245277077 /nfs/dbraw/zinc/27/70/77/245277077.db2.gz ISZUZFKPDXEKJS-XHDPSFHLSA-N 2 0 264.417 1.557 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H](C)CN1C[C@@H](C)C[C@H](C)C1 ZINC000422877941 245364325 /nfs/dbraw/zinc/36/43/25/245364325.db2.gz JANYCBDYDCJZGE-JONQDZQNSA-N 2 0 285.476 1.696 10 0 CDAERP C[C@@H](O)CC[NH+]1CCCC2(CCC[N@@H+](CC[C@@H](C)O)C2)C1 ZINC000451046391 296172243 /nfs/dbraw/zinc/17/22/43/296172243.db2.gz PAIDUTOZFOPIGD-YNPPLXCJSA-N 2 0 298.471 1.706 10 0 CDAERP C[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000573739275 371643665 /nfs/dbraw/zinc/64/36/65/371643665.db2.gz IMDQLRYGPLJQFZ-WCQYABFASA-N 2 0 264.373 1.141 10 0 CDAERP CC[N@@H+]1CC[C@H](N[C@@H]2C[NH2+]CCC2(F)F)[C@H](C)C1 ZINC000415009483 372481273 /nfs/dbraw/zinc/48/12/73/372481273.db2.gz XJIZPESRWGXRMJ-GRYCIOLGSA-N 2 0 261.360 1.304 10 0 CDAERP CC[N@H+](C)CCNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000066988373 284334049 /nfs/dbraw/zinc/33/40/49/284334049.db2.gz LATVRYHCSHXQOQ-UHFFFAOYSA-N 2 0 284.448 1.547 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000333358054 205249152 /nfs/dbraw/zinc/24/91/52/205249152.db2.gz KPAYQJNYJZNDEY-RBSFLKMASA-N 2 0 296.459 1.676 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000333446712 205327287 /nfs/dbraw/zinc/32/72/87/205327287.db2.gz WWLBDXALRWPJLX-ZNMIVQPWSA-N 2 0 296.459 1.547 10 0 CDAERP C[C@H]1C[C@@]2(C[NH+]=C(N)N2C)C[N@@H+]1Cc1ccccc1 ZINC000307603369 373057699 /nfs/dbraw/zinc/05/76/99/373057699.db2.gz ZRIKOOVKWPKNND-SWLSCSKDSA-N 2 0 258.369 1.280 10 0 CDAERP CC(C)n1cncc1C[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000424143839 246354118 /nfs/dbraw/zinc/35/41/18/246354118.db2.gz GMOJWOAAUMMVTM-CQSZACIVSA-N 2 0 279.432 1.190 10 0 CDAERP CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@H](C)N3CC[NH+](C)CC3)C[C@H]2C1 ZINC000424311897 246436845 /nfs/dbraw/zinc/43/68/45/246436845.db2.gz LIJQBLCEETUICJ-FIDHJVLJSA-N 2 0 295.471 1.416 10 0 CDAERP CC[C@@H](C(=O)N[C@H](CC(C)C)C[NH+](C)C)[NH+](C)C ZINC000126568930 375008989 /nfs/dbraw/zinc/00/89/89/375008989.db2.gz DQCVHEHAKQMIPY-OLZOCXBDSA-N 2 0 257.422 1.419 10 0 CDAERP CCCOC(=O)[C@@H](C)N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000130424512 375290597 /nfs/dbraw/zinc/29/05/97/375290597.db2.gz CFPCQIMHVSNCQD-CABCVRRESA-N 2 0 297.443 1.040 10 0 CDAERP CCn1ccnc1CNC(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415926431 375492568 /nfs/dbraw/zinc/49/25/68/375492568.db2.gz DFWSSHNQYQHFQH-UHFFFAOYSA-N 2 0 287.367 1.944 10 0 CDAERP C[C@@H](CNC(=O)CC[N@@H+]1CCc2ccccc2C1)[NH+](C)C ZINC000416136964 375555647 /nfs/dbraw/zinc/55/56/47/375555647.db2.gz RNRNNZMASSMWHN-AWEZNQCLSA-N 2 0 289.423 1.501 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)NCC1([NH3+])CCCCCC1 ZINC000417316382 375768083 /nfs/dbraw/zinc/76/80/83/375768083.db2.gz FAMQDZDLIBFSNP-CYBMUJFWSA-N 2 0 284.448 1.678 10 0 CDAERP C[N@H+]1C[C@@H]2C[NH+](C[C@H](O)Cc3ccccc3)C[C@@H]2C1 ZINC000193623171 375882975 /nfs/dbraw/zinc/88/29/75/375882975.db2.gz YYJHADKCJCBGEU-OWCLPIDISA-N 2 0 260.381 1.083 10 0 CDAERP C[N@H+]1C[C@H]2CN([C@H](C(=O)NC3CC3)c3ccccc3)C[C@H]2C1 ZINC000193656157 375888830 /nfs/dbraw/zinc/88/88/30/375888830.db2.gz LEGMCTYETVJGPJ-UXLLHSPISA-N 2 0 299.418 1.500 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)C[C@@H]([NH3+])C(C)C)CC1 ZINC000638975283 376326195 /nfs/dbraw/zinc/32/61/95/376326195.db2.gz IYUFCJSUGXQMQM-CYBMUJFWSA-N 2 0 269.433 1.693 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CC)C[C@@H]2C)CC[N@@H+]1C ZINC000631470613 376286707 /nfs/dbraw/zinc/28/67/07/376286707.db2.gz ZVSRMMQTKOEDQA-CAOSSQGBSA-N 2 0 295.471 1.905 10 0 CDAERP c1nc2n(n1)[C@H](C[N@@H+]1CCC[C@H]([C@H]3CCC[NH2+]3)C1)CC2 ZINC000631823221 376647928 /nfs/dbraw/zinc/64/79/28/376647928.db2.gz ZARCTPVGXKTQDP-MELADBBJSA-N 2 0 275.400 1.229 10 0 CDAERP CCn1nc(C)c(CN(C)C[C@@H]2CC[NH2+]C2)c1C ZINC000631836358 376680194 /nfs/dbraw/zinc/68/01/94/376680194.db2.gz VZEHHLMDHNOTQY-CYBMUJFWSA-N 2 0 250.390 1.561 10 0 CDAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@@](C)(O)C2)[C@H](C)C1 ZINC000417415970 377032891 /nfs/dbraw/zinc/03/28/91/377032891.db2.gz ZYBOKUVRDKVYSL-FPCVCCKLSA-N 2 0 284.444 1.626 10 0 CDAERP CC[NH+](CC)CCN(CCOC)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261688338 284617904 /nfs/dbraw/zinc/61/79/04/284617904.db2.gz HLBGZGORIUPRSH-HUUCEWRRSA-N 2 0 299.459 1.178 10 0 CDAERP [NH3+][C@H]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000639033802 377321220 /nfs/dbraw/zinc/32/12/20/377321220.db2.gz XIFZHUJMNWTQJD-JOCQHMNTSA-N 2 0 265.401 1.249 10 0 CDAERP CC[NH+]1CCC(N(C)CC(=O)NC(C)(C)C)CC1 ZINC000077249234 377541348 /nfs/dbraw/zinc/54/13/48/377541348.db2.gz GNTIXZMBQLRIMG-UHFFFAOYSA-N 2 0 255.406 1.317 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000334881485 377729865 /nfs/dbraw/zinc/72/98/65/377729865.db2.gz IRSMHUBBXYUKKT-OCCSQVGLSA-N 2 0 282.432 1.156 10 0 CDAERP CC(C)[NH2+]C1(CO)CC[NH+](C[C@H]2CCO[C@H](C)C2)CC1 ZINC000572300701 377861993 /nfs/dbraw/zinc/86/19/93/377861993.db2.gz JHOGVTWSRNKGGF-CABCVRRESA-N 2 0 284.444 1.626 10 0 CDAERP C[C@]1(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)CC[NH2+]C1 ZINC000261709289 377891069 /nfs/dbraw/zinc/89/10/69/377891069.db2.gz DJFNVTJJIAEHEI-CVEARBPZSA-N 3 0 281.444 1.030 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000632855031 377933817 /nfs/dbraw/zinc/93/38/17/377933817.db2.gz NNCGSDGCLQTOQB-GJZGRUSLSA-N 2 0 273.380 1.359 10 0 CDAERP CC(C)[NH2+][C@@H](C)CNC(=O)[C@H](C)Cc1c[nH]cn1 ZINC001662356676 1172536099 /nfs/dbraw/zinc/53/60/99/1172536099.db2.gz OMMXPZHBGLCLAI-MNOVXSKESA-N 2 0 252.362 1.091 10 0 CDAERP CO[C@H](C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)[C@@H]1CCOC1 ZINC000660638869 412900282 /nfs/dbraw/zinc/90/02/82/412900282.db2.gz DTACTYUHPUSLIA-OAGGEKHMSA-N 2 0 282.428 1.456 10 0 CDAERP CO[C@@H](C[NH+]1CCC([NH2+]C(C)C)CC1)[C@@H]1CCOC1 ZINC000660063775 412901753 /nfs/dbraw/zinc/90/17/53/412901753.db2.gz HINYFEKCLJWBKM-HIFRSBDPSA-N 2 0 270.417 1.500 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000344055854 379114028 /nfs/dbraw/zinc/11/40/28/379114028.db2.gz MEAWUJHPUIFCFY-MGPQQGTHSA-N 2 0 267.417 1.317 10 0 CDAERP C[NH+](C)C1(CNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)CCC1 ZINC000446624154 250304768 /nfs/dbraw/zinc/30/47/68/250304768.db2.gz NKCYLBYJMJTPLD-CQSZACIVSA-N 2 0 292.427 1.126 10 0 CDAERP CC(C)[C@H]1CN(C(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)CC[N@@H+]1C ZINC000634301095 379358372 /nfs/dbraw/zinc/35/83/72/379358372.db2.gz WMGHWJKHMNDLSX-HRCADAONSA-N 2 0 295.471 1.811 10 0 CDAERP CCCCC[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001662680361 1172579388 /nfs/dbraw/zinc/57/93/88/1172579388.db2.gz MWBSFQQGXFAYOH-CQSZACIVSA-N 2 0 269.433 1.566 10 0 CDAERP CC(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001662723391 1172587342 /nfs/dbraw/zinc/58/73/42/1172587342.db2.gz SVXYEPOKQOFTDF-GJZGRUSLSA-N 2 0 281.444 1.422 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655931219 412941078 /nfs/dbraw/zinc/94/10/78/412941078.db2.gz HOYKGTIKHZXBCO-JTQLQIEISA-N 2 0 298.353 1.153 10 0 CDAERP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](C)[C@@H](C)CO)CC1 ZINC000450738942 251435448 /nfs/dbraw/zinc/43/54/48/251435448.db2.gz OZZLKEDGDOLGEH-GJZGRUSLSA-N 2 0 271.449 1.009 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H](C[NH3+])C2CCCCC2)C1 ZINC000655964391 412974093 /nfs/dbraw/zinc/97/40/93/412974093.db2.gz SFLMSWRMEJKLFE-CFVMTHIKSA-N 2 0 296.459 1.533 10 0 CDAERP CC[N@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)C1CC(C)(C)C1 ZINC000415112535 285083369 /nfs/dbraw/zinc/08/33/69/285083369.db2.gz BHACFYJNVGAGAW-CYBMUJFWSA-N 2 0 281.444 1.694 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](C[C@@H](O)CSC)CC1 ZINC000494176310 253605255 /nfs/dbraw/zinc/60/52/55/253605255.db2.gz OJPCJCBEDBXQKL-CQSZACIVSA-N 2 0 274.474 1.764 10 0 CDAERP CN1CCN(C(=O)C2CCC(C3CC3)CC2)[C@@H](C[NH3+])C1 ZINC000662429033 413009453 /nfs/dbraw/zinc/00/94/53/413009453.db2.gz NPFKLYDBTIHDLN-NRXISQOPSA-N 2 0 279.428 1.304 10 0 CDAERP CCOC(=O)CCC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000081545008 177814331 /nfs/dbraw/zinc/81/43/31/177814331.db2.gz HJGXGWVCIYTLMK-LBPRGKRZSA-N 2 0 256.390 1.650 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000646986414 390333997 /nfs/dbraw/zinc/33/39/97/390333997.db2.gz AYGQKDKYNAJLKO-KGLIPLIRSA-N 2 0 267.417 1.509 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)CC[NH3+])[C@H](C)C1 ZINC000418567381 285390038 /nfs/dbraw/zinc/39/00/38/285390038.db2.gz WRODLQIXRZHPRN-UPJWGTAASA-N 2 0 270.421 1.095 10 0 CDAERP C([C@H]1CCC[NH2+]C1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000336056323 390910637 /nfs/dbraw/zinc/91/06/37/390910637.db2.gz FDGSNLRCPWEVCG-HOTGVXAUSA-N 2 0 265.445 1.936 10 0 CDAERP C[NH2+][C@H]1CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000417946882 391017422 /nfs/dbraw/zinc/01/74/22/391017422.db2.gz ZRULDRVAPHQVJB-RUXDESIVSA-N 2 0 282.432 1.110 10 0 CDAERP C[C@H]([NH3+])[C@H]1CN(Cc2cccc3c2NCC3)CCO1 ZINC000647506745 390974567 /nfs/dbraw/zinc/97/45/67/390974567.db2.gz BKQMEVQETXGTPK-SMDDNHRTSA-N 2 0 261.369 1.203 10 0 CDAERP C[C@@H]([NH3+])[C@@H]1CN(Cc2cccc3c2NCC3)CCO1 ZINC000647506744 390974570 /nfs/dbraw/zinc/97/45/70/390974570.db2.gz BKQMEVQETXGTPK-RISCZKNCSA-N 2 0 261.369 1.203 10 0 CDAERP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]CCc1cn2ccccc2n1 ZINC000415104321 391030208 /nfs/dbraw/zinc/03/02/08/391030208.db2.gz LBBPUOIPLCVBMK-ZIAGYGMSSA-N 2 0 272.396 1.997 10 0 CDAERP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647550862 390999327 /nfs/dbraw/zinc/99/93/27/390999327.db2.gz LJPXBJIRDAKVJF-DANNLKNASA-N 2 0 290.455 1.946 10 0 CDAERP CC(C)Cn1ccnc1CNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000417740740 391004083 /nfs/dbraw/zinc/00/40/83/391004083.db2.gz SDKMEOYGFNXERR-GFCCVEGCSA-N 2 0 279.388 1.090 10 0 CDAERP C[C@@H]1CN(C(=O)CC[C@H]2CCCC[NH+]2C)[C@@H](C)C[N@@H+]1C ZINC000355707295 391110022 /nfs/dbraw/zinc/11/00/22/391110022.db2.gz FEOPDZRQYFMHDP-QLFBSQMISA-N 2 0 281.444 1.802 10 0 CDAERP CC[NH+](CC)CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001663442796 1172696031 /nfs/dbraw/zinc/69/60/31/1172696031.db2.gz GFUTWFFBQDIYJP-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP O[C@]1(C(F)(F)F)CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647888144 391155982 /nfs/dbraw/zinc/15/59/82/391155982.db2.gz RCZITZUWEGELGI-GFCCVEGCSA-N 2 0 280.334 1.765 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCNc2ccccn2)[C@H]2CCC[C@@H]21 ZINC000367615525 391226296 /nfs/dbraw/zinc/22/62/96/391226296.db2.gz LFZIXCZOXQWYEZ-ILXRZTDVSA-N 2 0 274.412 1.956 10 0 CDAERP CCCCNC(=O)CC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647903829 391202700 /nfs/dbraw/zinc/20/27/00/391202700.db2.gz QQRONUFKOSQEOM-HUUCEWRRSA-N 2 0 281.444 1.757 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000418022037 391332116 /nfs/dbraw/zinc/33/21/16/391332116.db2.gz KRQAQNGKGHQQAQ-NEPJUHHUSA-N 2 0 270.421 1.143 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)[NH+](C)C ZINC000347889114 391406409 /nfs/dbraw/zinc/40/64/09/391406409.db2.gz JLAWKOSITCKTGS-KGLIPLIRSA-N 2 0 267.417 1.268 10 0 CDAERP O=C(NCC1C[NH2+]C1)c1ccccc1CC1CC[NH2+]CC1 ZINC000648105999 391341722 /nfs/dbraw/zinc/34/17/22/391341722.db2.gz ZPLSMCZTSLSDRE-UHFFFAOYSA-N 2 0 287.407 1.178 10 0 CDAERP CC(C)N1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CC1=O ZINC000353611620 391397128 /nfs/dbraw/zinc/39/71/28/391397128.db2.gz DHEFFBNCQONJDM-BARDWOONSA-N 2 0 279.428 1.458 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000417822328 391488108 /nfs/dbraw/zinc/48/81/08/391488108.db2.gz WWROVFULLNNGIW-OAHLLOKOSA-N 2 0 293.455 1.755 10 0 CDAERP O=C1NCCC[C@@H]1[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000411501632 391463458 /nfs/dbraw/zinc/46/34/58/391463458.db2.gz HXRVDVBZUQKIKC-HNNXBMFYSA-N 2 0 290.411 1.654 10 0 CDAERP O=C1C[C@@H]([C@H]2CCCC[N@@H+]2CCC[NH+]2CCCCC2)CN1 ZINC000162156026 391619527 /nfs/dbraw/zinc/61/95/27/391619527.db2.gz POGZBKHXLKCQPT-HZPDHXFCSA-N 2 0 293.455 1.853 10 0 CDAERP Cn1cnc(CCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)n1 ZINC000647801277 391664428 /nfs/dbraw/zinc/66/44/28/391664428.db2.gz UFXFXEYHHGGFSG-MGPQQGTHSA-N 2 0 277.416 1.258 10 0 CDAERP CN(C)C(=O)[C@@H](c1ccccc1)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193656275 391672646 /nfs/dbraw/zinc/67/26/46/391672646.db2.gz PSLMPTDYZYHFPT-OWCLPIDISA-N 2 0 287.407 1.309 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000361532781 391695478 /nfs/dbraw/zinc/69/54/78/391695478.db2.gz ZBELMWXDFYMLSF-HOCLYGCPSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000362441941 391724704 /nfs/dbraw/zinc/72/47/04/391724704.db2.gz UKISOVISCYBBOU-KGLIPLIRSA-N 2 0 293.455 1.850 10 0 CDAERP C[C@H](CNc1cncc(NC[C@@H](C)[NH+](C)C)n1)[NH+](C)C ZINC000341775211 130011141 /nfs/dbraw/zinc/01/11/41/130011141.db2.gz IARXVDFDHBMISO-VXGBXAGGSA-N 2 0 280.420 1.201 10 0 CDAERP [NH3+]CCCNC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000418140953 391761872 /nfs/dbraw/zinc/76/18/72/391761872.db2.gz KHMYZGCPAFEYCH-AWEZNQCLSA-N 2 0 282.432 1.432 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418182875 391789179 /nfs/dbraw/zinc/78/91/79/391789179.db2.gz KWGJGSREEMPXSD-KGLIPLIRSA-N 2 0 282.432 1.302 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000418195796 391803306 /nfs/dbraw/zinc/80/33/06/391803306.db2.gz GNRRWGHMVUBLSA-MGPQQGTHSA-N 2 0 284.448 1.404 10 0 CDAERP CCc1nccn1[C@H](C)CC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000647811325 391798305 /nfs/dbraw/zinc/79/83/05/391798305.db2.gz NPNPJWOPYMXQQC-CHWSQXEVSA-N 2 0 280.416 1.886 10 0 CDAERP CC[NH+]1CCC(NC(=O)C[N@H+]2CC(C)=C[C@@H](C)C2)CC1 ZINC000430262636 391906466 /nfs/dbraw/zinc/90/64/66/391906466.db2.gz MLISSPSDGXLGQI-CYBMUJFWSA-N 2 0 279.428 1.485 10 0 CDAERP CC[NH+](CC)CC[C@@H](CO)Nc1ccnc(C(C)C)n1 ZINC000439115634 392015223 /nfs/dbraw/zinc/01/52/23/392015223.db2.gz DJFZIIUUBUFVMR-ZDUSSCGKSA-N 2 0 280.416 1.527 10 0 CDAERP CC1CC[NH+](CCCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC000366767670 391996531 /nfs/dbraw/zinc/99/65/31/391996531.db2.gz XRPDZOQENHZERP-UHFFFAOYSA-N 2 0 293.455 1.853 10 0 CDAERP COCC[N@@H+]1CCC[C@@H]1CN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422702541 392252480 /nfs/dbraw/zinc/25/24/80/392252480.db2.gz KYVCVGQPOPBJIS-RBSFLKMASA-N 2 0 269.433 1.217 10 0 CDAERP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000423051731 392301468 /nfs/dbraw/zinc/30/14/68/392301468.db2.gz OYBUFQUYMZDIHZ-VXGBXAGGSA-N 2 0 296.390 1.273 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000457973293 392308460 /nfs/dbraw/zinc/30/84/60/392308460.db2.gz IFAOEDVNECJLPP-HNNXBMFYSA-N 2 0 286.379 1.825 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CN[C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423109025 392352123 /nfs/dbraw/zinc/35/21/23/392352123.db2.gz NDCIHFCALCNZCJ-ARFHVFGLSA-N 2 0 281.444 1.217 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000629528486 392384913 /nfs/dbraw/zinc/38/49/13/392384913.db2.gz AETPGUSWBXFFJY-ZDUSSCGKSA-N 2 0 289.383 1.154 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H]1CCc2c1cccc2OC ZINC000629528691 392384961 /nfs/dbraw/zinc/38/49/61/392384961.db2.gz GVUKTGCDEAUOTF-AWEZNQCLSA-N 2 0 264.369 1.508 10 0 CDAERP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)CN1CC(C)(C)C1 ZINC000568217325 392414531 /nfs/dbraw/zinc/41/45/31/392414531.db2.gz OBQVGCPLKKLYHQ-ZDUSSCGKSA-N 2 0 281.444 1.565 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](CO)c1ccc(F)cc1 ZINC000423195305 392433392 /nfs/dbraw/zinc/43/33/92/392433392.db2.gz XPTBSMPRDQWLTJ-UKRRQHHQSA-N 2 0 284.375 1.245 10 0 CDAERP c1ccc([C@H]2CC[C@H]([NH2+]CCN3CC[NH2+]CC3)C2)cc1 ZINC000423202702 392439514 /nfs/dbraw/zinc/43/95/14/392439514.db2.gz LBDAHGKBSXOJLS-IRXDYDNUSA-N 2 0 273.424 1.818 10 0 CDAERP C([NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1)[C@@H]1CCC[NH2+]1 ZINC000423229321 392458039 /nfs/dbraw/zinc/45/80/39/392458039.db2.gz ASZSVIGCNKCKLF-YJNKXOJESA-N 2 0 252.402 1.923 10 0 CDAERP CC[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C(=O)NC ZINC000423168936 392408505 /nfs/dbraw/zinc/40/85/05/392408505.db2.gz VMBPFAWZIVAABH-YVECIDJPSA-N 2 0 253.390 1.021 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1CC12CCSCC2 ZINC000423567215 392596652 /nfs/dbraw/zinc/59/66/52/392596652.db2.gz ZXGMRZGBKQFIJG-CHWSQXEVSA-N 2 0 272.458 1.863 10 0 CDAERP COc1nccnc1CN1CCC(C[NH+](C)C)CC1 ZINC000449011367 392599424 /nfs/dbraw/zinc/59/94/24/392599424.db2.gz PVOPFESCRHESQJ-UHFFFAOYSA-N 2 0 264.373 1.259 10 0 CDAERP CCC[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CC)[NH+](C)C ZINC000128097029 392641983 /nfs/dbraw/zinc/64/19/83/392641983.db2.gz DGPBQOSDCNDFLP-CHWSQXEVSA-N 2 0 255.406 1.317 10 0 CDAERP C([C@H]1CCOC1)[NH+]1CCC([NH2+][C@@H]2COC3(CCC3)C2)CC1 ZINC000657892912 413074361 /nfs/dbraw/zinc/07/43/61/413074361.db2.gz UWAIGTPFCQXOMK-ZBFHGGJFSA-N 2 0 294.439 1.789 10 0 CDAERP COc1cc(C)nc(C[NH2+]CCOCC[NH+](C)C)c1 ZINC000226744945 140181371 /nfs/dbraw/zinc/18/13/71/140181371.db2.gz QTDRNFDLZXQCDF-UHFFFAOYSA-N 2 0 267.373 1.066 10 0 CDAERP C[C@@]1(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)CCCC[NH2+]1 ZINC000181010727 140019256 /nfs/dbraw/zinc/01/92/56/140019256.db2.gz NXRKTKVTEFZZKF-RDJZCZTQSA-N 2 0 293.455 1.853 10 0 CDAERP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)NC(C)C)C2)[nH+]1 ZINC000195516101 140158114 /nfs/dbraw/zinc/15/81/14/140158114.db2.gz MIELLUMJXHWDPK-CQSZACIVSA-N 2 0 290.411 1.648 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000245412703 140266450 /nfs/dbraw/zinc/26/64/50/140266450.db2.gz AVYSXZZTJJWEKG-JJXSEGSLSA-N 2 0 293.455 1.850 10 0 CDAERP CCCn1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cn1 ZINC000261567681 140350463 /nfs/dbraw/zinc/35/04/63/140350463.db2.gz IIPPPTJFLMLIBZ-SOUVJXGZSA-N 2 0 262.401 1.852 10 0 CDAERP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261608434 140362633 /nfs/dbraw/zinc/36/26/33/140362633.db2.gz AWXFTZJKQNIQME-DZGCQCFKSA-N 2 0 299.459 1.367 10 0 CDAERP O=C(CC[C@H]1CCC[NH2+]1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000261624362 140365922 /nfs/dbraw/zinc/36/59/22/140365922.db2.gz VDJGBZMHPNOOGA-KGLIPLIRSA-N 2 0 265.401 1.215 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N(CC[NH3+])CCc2ccccc2)CC[NH2+]1 ZINC000261693613 140376692 /nfs/dbraw/zinc/37/66/92/140376692.db2.gz IPRBEDWHEMQVCO-HOCLYGCPSA-N 2 0 289.423 1.405 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000261795243 140390434 /nfs/dbraw/zinc/39/04/34/140390434.db2.gz QKZVFJGTZMZWGC-UKRRQHHQSA-N 2 0 279.428 1.352 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000261802955 140391597 /nfs/dbraw/zinc/39/15/97/140391597.db2.gz RQAJDAOSLOTKAZ-HNNXBMFYSA-N 2 0 281.444 1.837 10 0 CDAERP CC[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000262448477 140427848 /nfs/dbraw/zinc/42/78/48/140427848.db2.gz JIDFENZUBGNKTF-NDBYEHHHSA-N 2 0 253.390 1.021 10 0 CDAERP C[C@H](C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656200868 413096867 /nfs/dbraw/zinc/09/68/67/413096867.db2.gz WIWIYHMNVRSLTO-QMIVOQANSA-N 2 0 269.433 1.344 10 0 CDAERP C[C@H](CCC[NH3+])NC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662568228 413135264 /nfs/dbraw/zinc/13/52/64/413135264.db2.gz NKVVMASEPSLVFE-BXUZGUMPSA-N 2 0 261.369 1.465 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000662593669 413160133 /nfs/dbraw/zinc/16/01/33/413160133.db2.gz PYMTZKFNDZAJRR-UONOGXRCSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)(C)N1CC[C@H]1C[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000658061967 413164619 /nfs/dbraw/zinc/16/46/19/413164619.db2.gz QCLQZFIADNPHSM-NWDGAFQWSA-N 2 0 267.417 1.506 10 0 CDAERP CN(C(=O)CC(C)(C)[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381899684 397768965 /nfs/dbraw/zinc/76/89/65/397768965.db2.gz VSMSCSHHIVWSSA-HNNXBMFYSA-N 2 0 289.423 1.847 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)NCCC[NH+]1CCCC1 ZINC000649491309 397772081 /nfs/dbraw/zinc/77/20/81/397772081.db2.gz IQNQUHICPQSKTG-UHFFFAOYSA-N 2 0 298.475 1.749 10 0 CDAERP OC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)C1CCC1 ZINC000658087622 413188457 /nfs/dbraw/zinc/18/84/57/413188457.db2.gz LIKSMIFZHRLRJD-HNNXBMFYSA-N 2 0 252.402 1.611 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000658105760 413204395 /nfs/dbraw/zinc/20/43/95/413204395.db2.gz DGSNAQQRECTPDU-HLLBOEOZSA-N 2 0 296.503 1.331 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)NCC2CC[NH+](C)CC2)C1 ZINC000105174449 147215649 /nfs/dbraw/zinc/21/56/49/147215649.db2.gz TVWHKIHWOFSIHH-CQSZACIVSA-N 2 0 282.432 1.112 10 0 CDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCCCCO)CC1 ZINC000105915425 147238229 /nfs/dbraw/zinc/23/82/29/147238229.db2.gz PFZZDOSRWWQKDK-AWEZNQCLSA-N 2 0 272.433 1.174 10 0 CDAERP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1cnccn1 ZINC000658109644 413209678 /nfs/dbraw/zinc/20/96/78/413209678.db2.gz UDNDHIRWIRAJAZ-UONOGXRCSA-N 2 0 279.432 1.399 10 0 CDAERP COc1c(CN2CC[C@H](C[NH+](C)C)C2)c(C)nn1C ZINC000179635437 148125540 /nfs/dbraw/zinc/12/55/40/148125540.db2.gz NYVWQBCXHMOJAR-GFCCVEGCSA-N 2 0 266.389 1.121 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CC[NH+](C)C2CC2)C1 ZINC000185214998 148395824 /nfs/dbraw/zinc/39/58/24/148395824.db2.gz AURBRHQQHRGHMY-CYBMUJFWSA-N 2 0 282.432 1.206 10 0 CDAERP CO[C@H](C)C[NH2+]CCN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001664187203 1172822060 /nfs/dbraw/zinc/82/20/60/1172822060.db2.gz XADRYRJXKGQKJH-CYBMUJFWSA-N 2 0 287.448 1.047 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000262025595 149004271 /nfs/dbraw/zinc/00/42/71/149004271.db2.gz ZQXVSLUHDOOYIB-NILFDRSVSA-N 2 0 275.396 1.698 10 0 CDAERP [NH3+]CCOc1ccc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)cc1 ZINC000262286955 149047003 /nfs/dbraw/zinc/04/70/03/149047003.db2.gz MRKGNMRXZWQOEM-QWRGUYRKSA-N 2 0 263.341 1.090 10 0 CDAERP Cc1cc(C)c(CNC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cn1 ZINC000334964577 150127170 /nfs/dbraw/zinc/12/71/70/150127170.db2.gz ODEVJQCGMMGZMF-FZMZJTMJSA-N 2 0 276.384 1.496 10 0 CDAERP C[C@@H](C(=O)N(C)C1CCCCC1)N1CCC2(CC[NH2+]2)CC1 ZINC000335016739 150190176 /nfs/dbraw/zinc/19/01/76/150190176.db2.gz HWKCDHLTOGKVGX-AWEZNQCLSA-N 2 0 293.455 1.994 10 0 CDAERP CC1(C)CN(C(=O)C2([NH3+])CCCCC2)CC[C@@H]1[NH3+] ZINC000335093845 150281427 /nfs/dbraw/zinc/28/14/27/150281427.db2.gz HHMMORSWMCOQQA-NSHDSACASA-N 2 0 253.390 1.234 10 0 CDAERP C[C@@H]1C[NH2+]CCN1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000335170513 150364741 /nfs/dbraw/zinc/36/47/41/150364741.db2.gz RAGJIEXTGFYPBJ-IYXRBSQSSA-N 2 0 280.416 1.007 10 0 CDAERP CC(C)[NH+](CCNC(=O)C1([NH2+]C2CC2)CCC1)C(C)C ZINC000662661714 413266948 /nfs/dbraw/zinc/26/69/48/413266948.db2.gz UOCOZJJOMXWGQI-UHFFFAOYSA-N 2 0 281.444 1.896 10 0 CDAERP O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCC2(C1)CC[NH2+]CC2 ZINC000374513569 304388773 /nfs/dbraw/zinc/38/87/73/304388773.db2.gz JTCKVNZIJVXRCM-KKUMJFAQSA-N 2 0 291.439 1.509 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)CC1([NH3+])CC1)C1CCCCC1 ZINC000662680913 413303878 /nfs/dbraw/zinc/30/38/78/413303878.db2.gz ZSGNIHBPIWVFLY-ZDUSSCGKSA-N 2 0 267.417 1.495 10 0 CDAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C1([NH2+]C2CC2)CCC1 ZINC000662685406 413312027 /nfs/dbraw/zinc/31/20/27/413312027.db2.gz SHUDWEZACWIKAD-ZDUSSCGKSA-N 2 0 279.428 1.461 10 0 CDAERP CC(C)([NH3+])c1cc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)on1 ZINC000662688283 413313351 /nfs/dbraw/zinc/31/33/51/413313351.db2.gz NPXRZNCGYXVHSR-WDEREUQCSA-N 2 0 292.383 1.225 10 0 CDAERP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@@H]3CCC(=O)N3)CC2)C1 ZINC000658259284 413320569 /nfs/dbraw/zinc/32/05/69/413320569.db2.gz KAXDJYCPWNUTQY-KBMXLJTQSA-N 2 0 293.455 1.898 10 0 CDAERP [NH3+][C@H](c1cn([C@H]2CCC[NH2+]C2)nn1)c1ccccc1 ZINC000656467048 413322972 /nfs/dbraw/zinc/32/29/72/413322972.db2.gz JUJVOOYLHOEVLA-JSGCOSHPSA-N 2 0 257.341 1.251 10 0 CDAERP [NH3+][C@@H](Cc1cn([C@H]2CCC[NH2+]C2)nn1)Cc1ccccc1 ZINC000656468485 413327161 /nfs/dbraw/zinc/32/71/61/413327161.db2.gz YMWFUXVTQSHDDS-ZBFHGGJFSA-N 2 0 285.395 1.315 10 0 CDAERP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[NH2+]C2)[C@H](n2cncn2)C1 ZINC000333315222 296733791 /nfs/dbraw/zinc/73/37/91/296733791.db2.gz SPZCELWYXDDQPM-YIYPIFLZSA-N 2 0 263.389 1.207 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000362878859 159260242 /nfs/dbraw/zinc/26/02/42/159260242.db2.gz YEKRLJZCUTYKQO-GJZGRUSLSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000662730339 413397367 /nfs/dbraw/zinc/39/73/67/413397367.db2.gz DARMJSROLPBJTQ-KGLIPLIRSA-N 2 0 263.385 1.046 10 0 CDAERP CC(C)C[C@H]([NH3+])C(=O)NCC1([NH3+])CCCCCC1 ZINC000374435333 160286432 /nfs/dbraw/zinc/28/64/32/160286432.db2.gz FAGDWXPTXYYQJA-LBPRGKRZSA-N 2 0 255.406 1.528 10 0 CDAERP CC[N@H+](C)C[C@H]1CCN(C(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662747778 413427013 /nfs/dbraw/zinc/42/70/13/413427013.db2.gz BBOBOAJBSGFUCF-CYBMUJFWSA-N 2 0 279.428 1.461 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654566947 413438325 /nfs/dbraw/zinc/43/83/25/413438325.db2.gz UMJFUVSYNKTBOX-KFWWJZLASA-N 2 0 298.475 1.746 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000416870616 286915810 /nfs/dbraw/zinc/91/58/10/286915810.db2.gz IPWPBRFVKLHNAM-CHWSQXEVSA-N 2 0 270.421 1.143 10 0 CDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCN2CCCCC2)CC1 ZINC000132286248 287086095 /nfs/dbraw/zinc/08/60/95/287086095.db2.gz XBWQVYJVLAUYTE-MRXNPFEDSA-N 2 0 297.487 1.497 10 0 CDAERP CN(C)c1cc[n+](CC[n+]2ccc(N(C)C)cc2)cc1 ZINC000005342461 170087662 /nfs/dbraw/zinc/08/76/62/170087662.db2.gz YGWJSHPMVOSPEE-UHFFFAOYSA-N 2 0 272.396 1.094 10 0 CDAERP C[NH+]1CCN(CC[C@@H]([NH3+])c2ccc(F)cc2)CC1 ZINC000020273973 171130726 /nfs/dbraw/zinc/13/07/26/171130726.db2.gz WXPWKVZIIZZLNC-CQSZACIVSA-N 2 0 251.349 1.463 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653175915 412116790 /nfs/dbraw/zinc/11/67/90/412116790.db2.gz FTXLDMRUDAKVGV-AWEZNQCLSA-N 2 0 269.433 1.470 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000653215697 412143888 /nfs/dbraw/zinc/14/38/88/412143888.db2.gz XNMFPYUNPVHNOU-DOMZBBRYSA-N 2 0 275.396 1.410 10 0 CDAERP CC(C)(C)C(=O)N1CCC([NH2+]C[C@@H]2CCC[NH2+]C2)CC1 ZINC000130960745 413562203 /nfs/dbraw/zinc/56/22/03/413562203.db2.gz XMEOMAVIVHESRI-CYBMUJFWSA-N 2 0 281.444 1.613 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cccc3c2CC[NH2+]C3)C1 ZINC000662834453 413572114 /nfs/dbraw/zinc/57/21/14/413572114.db2.gz UTANZEDQCLGABA-XBXGTLAGSA-N 2 0 287.407 1.402 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)C[NH2+]C[C@@H]1CCC[C@H]2C[C@H]21 ZINC000656709676 413585410 /nfs/dbraw/zinc/58/54/10/413585410.db2.gz QUEOTEDEKSUOSD-BYNSBNAKSA-N 2 0 254.418 1.713 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000662845532 413598094 /nfs/dbraw/zinc/59/80/94/413598094.db2.gz JFVAWNNHSSQCJC-DOMZBBRYSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCN[C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422774493 287268730 /nfs/dbraw/zinc/26/87/30/287268730.db2.gz XEZPSHPFIYROSC-HYVNUMGLSA-N 2 0 295.471 1.608 10 0 CDAERP [NH3+]C1(CC(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000662878603 413646270 /nfs/dbraw/zinc/64/62/70/413646270.db2.gz WKQZZAXLYVSYJR-CYBMUJFWSA-N 2 0 275.352 1.167 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000654757945 413685947 /nfs/dbraw/zinc/68/59/47/413685947.db2.gz NGDFILHIKJDPMM-CABCVRRESA-N 2 0 279.428 1.415 10 0 CDAERP CN(C(=O)C[C@H]1[NH2+]Cc2ccccc21)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000659295006 413685904 /nfs/dbraw/zinc/68/59/04/413685904.db2.gz QMMKWKXLTVHJLC-NVXWUHKLSA-N 2 0 299.418 1.916 10 0 CDAERP CC[C@H](C[NH+]1CCCC1)NC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659468797 413857492 /nfs/dbraw/zinc/85/74/92/413857492.db2.gz FUDSWZUUEOLGMP-ZIAGYGMSSA-N 2 0 284.448 1.533 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000659472529 413861627 /nfs/dbraw/zinc/86/16/27/413861627.db2.gz NBYMGIZCTWYEII-YMAMQOFZSA-N 2 0 298.475 1.779 10 0 CDAERP CCS(=O)(=O)C1(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000665275405 414008781 /nfs/dbraw/zinc/00/87/81/414008781.db2.gz KAZSFCLIICSXLJ-NWDGAFQWSA-N 2 0 274.430 1.061 10 0 CDAERP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000665280654 414021527 /nfs/dbraw/zinc/02/15/27/414021527.db2.gz IJIYELGCHNOEEQ-AGIUHOORSA-N 2 0 276.446 1.305 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)[C@H]2CCCO2)CC1 ZINC000665287190 414023280 /nfs/dbraw/zinc/02/32/80/414023280.db2.gz DUXZLTKNIZWSIC-DZGCQCFKSA-N 2 0 297.443 1.134 10 0 CDAERP CC[C@@H]([NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1)C1CC1 ZINC000665287603 414026089 /nfs/dbraw/zinc/02/60/89/414026089.db2.gz PWGGTZGFWATINV-OAHLLOKOSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@@H]1C[C@@H]([NH2+]C[C@@H](C)N2CC[NH+](CC)CC2)CO1 ZINC000657309216 414149378 /nfs/dbraw/zinc/14/93/78/414149378.db2.gz BWMSJFZBKPSOGE-RBSFLKMASA-N 2 0 269.433 1.170 10 0 CDAERP CC(C)CCNC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000663405314 414228411 /nfs/dbraw/zinc/22/84/11/414228411.db2.gz RWEVTVNTVFXXAZ-AWEZNQCLSA-N 2 0 286.464 1.604 10 0 CDAERP Cn1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c(-c2cccnc2)n1 ZINC000655827269 414237179 /nfs/dbraw/zinc/23/71/79/414237179.db2.gz PMZRGQPMMRKZBN-AKAXFMLLSA-N 2 0 299.422 1.912 10 0 CDAERP O[C@H]1CCC[C@@H](C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657374057 414237433 /nfs/dbraw/zinc/23/74/33/414237433.db2.gz IDYFZOBGKXIWMT-CJNGLKHVSA-N 2 0 286.379 1.908 10 0 CDAERP C(N[C@@H]1CCC[NH2+]CC1)c1nc2c(s1)C[NH2+]CC2 ZINC000663495662 414294766 /nfs/dbraw/zinc/29/47/66/414294766.db2.gz AICJXSPFTOBVHC-SNVBAGLBSA-N 2 0 266.414 1.021 10 0 CDAERP CC(C)[C@H]([NH3+])CCNCc1nc2c(s1)C[NH2+]CC2 ZINC000663504451 414304587 /nfs/dbraw/zinc/30/45/87/414304587.db2.gz XQGZGIFPEIBJMH-SNVBAGLBSA-N 2 0 268.430 1.252 10 0 CDAERP O[C@H]1CC[N@@H+](C2CCN(CCC[NH+]3CCCCC3)CC2)C1 ZINC000662151464 414537401 /nfs/dbraw/zinc/53/74/01/414537401.db2.gz HSPWOKMYDTVIKU-KRWDZBQOSA-N 2 0 295.471 1.393 10 0 CDAERP CC(C)=CCC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662150618 414537835 /nfs/dbraw/zinc/53/78/35/414537835.db2.gz YKHCIKHGRNCZEN-OAHLLOKOSA-N 2 0 252.402 1.874 10 0 CDAERP O[C@@H]1CC[N@@H+](C2CC[NH+](CC[C@H]3CCCCO3)CC2)C1 ZINC000662149743 414538946 /nfs/dbraw/zinc/53/89/46/414538946.db2.gz QFBSIXIXRBSALK-HZPDHXFCSA-N 2 0 282.428 1.477 10 0 CDAERP CC(C)(C)[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)C(N)=O ZINC000662259160 414594644 /nfs/dbraw/zinc/59/46/44/414594644.db2.gz RDBCLCMYCZBEKM-CQSZACIVSA-N 2 0 275.396 1.322 10 0 CDAERP COc1cccc([C@H](C)[NH2+]C[C@@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662283951 414612862 /nfs/dbraw/zinc/61/28/62/414612862.db2.gz DQTDWLBYGVRGOX-WFASDCNBSA-N 2 0 276.380 1.867 10 0 CDAERP Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]C[C@@H]2CC[NH2+]C2)cn1 ZINC000662312691 414634357 /nfs/dbraw/zinc/63/43/57/414634357.db2.gz YYTWHWXDHQREGG-VHDGCEQUSA-N 2 0 262.401 1.330 10 0 CDAERP CCCC[C@@H]([NH3+])C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000038029539 174020314 /nfs/dbraw/zinc/02/03/14/174020314.db2.gz FQTLWWNMUVRFDN-QWHCGFSZSA-N 2 0 255.406 1.495 10 0 CDAERP Cc1nnc(OCC[NH+]2CCCC2)c(C[NH3+])c1C ZINC000040290639 174220541 /nfs/dbraw/zinc/22/05/41/174220541.db2.gz UMOSORJZMBLSLS-UHFFFAOYSA-N 2 0 250.346 1.027 10 0 CDAERP CC1(C)CC(NC(=O)[C@@H]2CCC[NH2+]2)CC(C)(C)[NH2+]1 ZINC000040430333 174259972 /nfs/dbraw/zinc/25/99/72/174259972.db2.gz HAKRHPHGDNNQNW-NSHDSACASA-N 2 0 253.390 1.164 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)Nc1ccccc1 ZINC000040750224 174394907 /nfs/dbraw/zinc/39/49/07/174394907.db2.gz DUURMPRPMBNYDP-LQDVMPOASA-N 2 0 273.380 1.969 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1COC2(CCCC2)O1 ZINC000040750319 174395000 /nfs/dbraw/zinc/39/50/00/174395000.db2.gz MPMQJVGBMIKAIM-WTUNAVPPSA-N 2 0 266.385 1.626 10 0 CDAERP CC(C)C[C@@H](CNC(=O)C1CCC([NH3+])CC1)[NH+](C)C ZINC000040831373 174412997 /nfs/dbraw/zinc/41/29/97/174412997.db2.gz CJWGDKDMZHJFDZ-RUXDESIVSA-N 2 0 269.433 1.596 10 0 CDAERP C[NH+](C)CCOc1cc2c(cc1C[NH2+]C1CC1)OCO2 ZINC000042874940 174899759 /nfs/dbraw/zinc/89/97/59/174899759.db2.gz GEVINGKQHVXHEW-UHFFFAOYSA-N 2 0 278.352 1.608 10 0 CDAERP Cc1ccc([C@@H]([C@H](C)[NH3+])N2CCC[N@H+](C)CC2)o1 ZINC000043363930 175024664 /nfs/dbraw/zinc/02/46/64/175024664.db2.gz GMEPAKSDHTUKOU-GXTWGEPZSA-N 2 0 251.374 1.614 10 0 CDAERP C[NH+](C)CCCOc1nc2c(cc1C(N)=[NH2+])CCC2 ZINC000043407159 175037233 /nfs/dbraw/zinc/03/72/33/175037233.db2.gz YBJWDIYSHJONIG-UHFFFAOYSA-N 2 0 262.357 1.185 10 0 CDAERP C[NH2+][C@@H]1c2ccccc2CC[C@H]1N1CC[NH+](C)CC1 ZINC000043810617 175109759 /nfs/dbraw/zinc/10/97/59/175109759.db2.gz DUZZSGQBBHPURW-HZPDHXFCSA-N 2 0 259.397 1.509 10 0 CDAERP C[NH2+][C@@H](CN(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000043815173 175111748 /nfs/dbraw/zinc/11/17/48/175111748.db2.gz OKQURFRAFYDTAK-INIZCTEOSA-N 2 0 261.413 1.973 10 0 CDAERP CCOc1ccc([C@@H](CN2CCC[N@H+](C)CC2)[NH2+]C)cc1 ZINC000043818140 175112755 /nfs/dbraw/zinc/11/27/55/175112755.db2.gz KWZRUAAKCLLKHR-QGZVFWFLSA-N 2 0 291.439 1.983 10 0 CDAERP CC[NH2+][C@H](CN1CCC[N@H+](C)CC1)c1ccc(OC)cc1 ZINC000043818376 175113029 /nfs/dbraw/zinc/11/30/29/175113029.db2.gz WZDGRCKWECCMPU-QGZVFWFLSA-N 2 0 291.439 1.983 10 0 CDAERP CC[NH2+][C@@H](CN1CCC[N@H+](C)CC1)c1ccccc1OC ZINC000043818339 175113248 /nfs/dbraw/zinc/11/32/48/175113248.db2.gz JHJJXQLZSYIDLH-INIZCTEOSA-N 2 0 291.439 1.983 10 0 CDAERP CCC[NH2+][C@@H]1CCOC[C@@H]1N1CC[NH+](C(C)C)CC1 ZINC000043897216 175119962 /nfs/dbraw/zinc/11/99/62/175119962.db2.gz POTQXSWDWLXJJV-CABCVRRESA-N 2 0 269.433 1.170 10 0 CDAERP CCC[NH2+][C@@H](C)CC[N@H+](CCCOC)CCOC ZINC000043971104 175131705 /nfs/dbraw/zinc/13/17/05/175131705.db2.gz OAGSGIDTJFFVQP-AWEZNQCLSA-N 2 0 260.422 1.750 10 0 CDAERP [NH3+]CC1CC[NH+](C[C@H]2COC3(CCCC3)O2)CC1 ZINC000044514138 175189535 /nfs/dbraw/zinc/18/95/35/175189535.db2.gz ORIRRCURRYMNHM-ZDUSSCGKSA-N 2 0 254.374 1.343 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)C2(C[NH3+])CCCCC2)C1 ZINC000044763174 175247229 /nfs/dbraw/zinc/24/72/29/175247229.db2.gz JMXBCXBQYJOQBL-LBPRGKRZSA-N 2 0 253.390 1.106 10 0 CDAERP COCC[C@@](C)(C[NH3+])N1CC[NH+](C(C)(C)C)CC1 ZINC000045043471 175295555 /nfs/dbraw/zinc/29/55/55/175295555.db2.gz XBXJWWSWMHDSLI-AWEZNQCLSA-N 2 0 257.422 1.156 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CN2CCC[NH2+][C@@H](C)CC2)C1 ZINC000045136747 175314145 /nfs/dbraw/zinc/31/41/45/175314145.db2.gz PRXUNQBFFSAYBA-GJZGRUSLSA-N 2 0 253.434 1.791 10 0 CDAERP C[NH2+]CCCC[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000045174415 175322795 /nfs/dbraw/zinc/32/27/95/175322795.db2.gz CNSVLWKYCBATEI-UHFFFAOYSA-N 2 0 270.398 1.179 10 0 CDAERP CC(C)[NH2+][C@@](C)(CCC[N@@H+]1CCC[C@@H](C)C1)C(N)=O ZINC000045377300 175366760 /nfs/dbraw/zinc/36/67/60/175366760.db2.gz DDESIPWXCDLUDZ-HIFRSBDPSA-N 2 0 269.433 1.741 10 0 CDAERP CC[NH2+][C@@](C)(CCCC[N@H+](C)C[C@@H]1CCCCO1)C(N)=O ZINC000045421229 175380072 /nfs/dbraw/zinc/38/00/72/175380072.db2.gz QNUIUTOOZGRSOA-HOCLYGCPSA-N 2 0 299.459 1.511 10 0 CDAERP COc1cccc(C[NH2+]CC2CC[NH+](CCO)CC2)c1 ZINC000069368552 175825099 /nfs/dbraw/zinc/82/50/99/175825099.db2.gz TWUHVGZFFQJDKW-UHFFFAOYSA-N 2 0 278.396 1.489 10 0 CDAERP CC[NH2+][C@@H]1CCCN([C@@H]2CCC[N@H+](CC)C2)C1=O ZINC000071033623 176024261 /nfs/dbraw/zinc/02/42/61/176024261.db2.gz OSITYHSGXFJLFC-CHWSQXEVSA-N 2 0 253.390 1.071 10 0 CDAERP CC(C)[NH2+][C@@H]1CCN([C@H](C[NH+](C)C)C(C)C)C1=O ZINC000071034245 176024437 /nfs/dbraw/zinc/02/44/37/176024437.db2.gz RTWOQCAJSOBBJK-CHWSQXEVSA-N 2 0 255.406 1.172 10 0 CDAERP CCC[NH2+][C@@H]1CCCN(CC2CC[NH+](C)CC2)C1=O ZINC000071035014 176024656 /nfs/dbraw/zinc/02/46/56/176024656.db2.gz IZLHZXIYADVWAP-CQSZACIVSA-N 2 0 267.417 1.319 10 0 CDAERP CC[C@@H]1CCC[C@@](C[NH3+])(N2CCN(CC[NH+](C)C)CC2)C1 ZINC000071124618 176035145 /nfs/dbraw/zinc/03/51/45/176035145.db2.gz LGUBQUHSKYGNPN-IAGOWNOFSA-N 2 0 296.503 1.463 10 0 CDAERP CC[C@@H]1CCCC[C@@]1(C[NH3+])N1CC[NH+](CC)CC1 ZINC000071161524 176045974 /nfs/dbraw/zinc/04/59/74/176045974.db2.gz HRUKFAMZGBNEIH-CABCVRRESA-N 2 0 253.434 1.922 10 0 CDAERP C[C@@H]1CC[C@H](C[NH3+])[C@H](N(C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071188206 176062771 /nfs/dbraw/zinc/06/27/71/176062771.db2.gz MNIYMQASTUYKCT-KBUPBQIOSA-N 2 0 253.434 1.633 10 0 CDAERP CN(C[C@H]1CC[N@H+](C)C1)[C@@H]1CCc2ccccc2[C@@H]1[NH3+] ZINC000071188682 176063653 /nfs/dbraw/zinc/06/36/53/176063653.db2.gz OFTIEGFCEMJIPQ-XKQJLSEDSA-N 2 0 273.424 1.885 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)c1nc2sccn2c1C[NH3+] ZINC000071190076 176065843 /nfs/dbraw/zinc/06/58/43/176065843.db2.gz MABTXNYWJBEOKH-SNVBAGLBSA-N 2 0 279.413 1.242 10 0 CDAERP CC(C)[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)C[C@@H]2CC[NH+](C)C2)O1 ZINC000071192057 176073784 /nfs/dbraw/zinc/07/37/84/176073784.db2.gz KGKWTWUIQJNGEN-OAGGEKHMSA-N 3 0 283.460 1.416 10 0 CDAERP CC(C)[N@H+](CCCO)Cc1ccc(F)cc1C(N)=[NH2+] ZINC000071267875 176101742 /nfs/dbraw/zinc/10/17/42/176101742.db2.gz GWVXCGPRXKRMFX-UHFFFAOYSA-N 2 0 267.348 1.703 10 0 CDAERP CC[NH2+]CCCCCC[N@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000071288295 176110794 /nfs/dbraw/zinc/11/07/94/176110794.db2.gz AFTGPUHNMRXYBH-CYBMUJFWSA-N 2 0 276.446 1.275 10 0 CDAERP C[C@@H]1C[C@H]([NH3+])CC[C@@H]1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000071380170 176144245 /nfs/dbraw/zinc/14/42/45/176144245.db2.gz HSGHSVURKNIPFH-NFAWXSAZSA-N 2 0 281.444 1.741 10 0 CDAERP C[C@H]([NH3+])[C@H](N1CC[NH+](CC(C)(C)O)CC1)C(C)(C)C ZINC000071380410 176144821 /nfs/dbraw/zinc/14/48/21/176144821.db2.gz BBQBEQIWRFQNLT-STQMWFEESA-N 2 0 271.449 1.137 10 0 CDAERP CC(C)(O)C[NH+]1CCN(C[C@H](C[NH3+])c2ccccc2)CC1 ZINC000071380470 176145097 /nfs/dbraw/zinc/14/50/97/176145097.db2.gz CUEFBWDVDALXRR-INIZCTEOSA-N 2 0 291.439 1.117 10 0 CDAERP CC(C)[NH2+]CC(C)(C)CN1CC[NH+](CC(C)(C)O)CC1 ZINC000071381723 176145657 /nfs/dbraw/zinc/14/56/57/176145657.db2.gz UTQMMXYGEZCFND-UHFFFAOYSA-N 2 0 285.476 1.399 10 0 CDAERP CCC[NH2+][C@@H]1CCC[C@@H]1CN1CC[NH+](CC(C)(C)O)CC1 ZINC000071381822 176145834 /nfs/dbraw/zinc/14/58/34/176145834.db2.gz VBGBZKIXBQMFTL-HZPDHXFCSA-N 2 0 297.487 1.543 10 0 CDAERP CCC[C@@H](CC[NH3+])CCC(=O)N[C@H](C)CC[NH+](C)C ZINC000079240767 177454539 /nfs/dbraw/zinc/45/45/39/177454539.db2.gz XJCSZKJKAPOUDV-ZIAGYGMSSA-N 2 0 271.449 1.988 10 0 CDAERP CCn1nccc1C[N@H+](CCO)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414765477 263040827 /nfs/dbraw/zinc/04/08/27/263040827.db2.gz ZUWVXYUDAMFGBB-ZIAGYGMSSA-N 2 0 280.416 1.085 10 0 CDAERP CN(C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000655450495 423879021 /nfs/dbraw/zinc/87/90/21/423879021.db2.gz QCOHXZTURKWMMW-QNWIWCQQSA-N 2 0 277.412 1.118 10 0 CDAERP C[NH+](C)CCC[C@H]1C[N@H+](C[C@@H]2CCCCO2)CCO1 ZINC000662316115 423947704 /nfs/dbraw/zinc/94/77/04/423947704.db2.gz IKJITRFXVFWWTA-GJZGRUSLSA-N 2 0 270.417 1.598 10 0 CDAERP CS(=O)(=O)CCC[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662292636 423918409 /nfs/dbraw/zinc/91/84/09/423918409.db2.gz GPSZBXQYKAVBBV-AWEZNQCLSA-N 2 0 288.457 1.133 10 0 CDAERP CC(C)[NH2+]CCC(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000653267185 423962090 /nfs/dbraw/zinc/96/20/90/423962090.db2.gz LZVMPGDVZIUGSP-KFWWJZLASA-N 2 0 297.443 1.262 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1CCC(C[NH3+])CC1 ZINC000652225438 424089214 /nfs/dbraw/zinc/08/92/14/424089214.db2.gz ZDSCQOBZZIDCAT-UHFFFAOYSA-N 2 0 284.448 1.345 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1CCC([NH3+])CC1 ZINC000652225405 424090118 /nfs/dbraw/zinc/09/01/18/424090118.db2.gz YLQQNJAKVLYYJP-UHFFFAOYSA-N 2 0 270.421 1.097 10 0 CDAERP O=C([C@@H]1CC[C@H](C2CC2)[NH2+]1)N1CCC([NH2+]CC2CC2)CC1 ZINC000653053761 424177173 /nfs/dbraw/zinc/17/71/73/424177173.db2.gz IJZJRMXJRDCDLE-CVEARBPZSA-N 2 0 291.439 1.508 10 0 CDAERP CCCC[C@H](C[NH3+])NC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653055672 424180881 /nfs/dbraw/zinc/18/08/81/424180881.db2.gz JWFFMBPKSMUTIN-JHJVBQTASA-N 2 0 253.390 1.151 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)NCC2([NH3+])CCCC2)CC[N@@H+]1C ZINC000659573266 424239907 /nfs/dbraw/zinc/23/99/07/424239907.db2.gz NZDCCLCRBQXSEQ-OLZOCXBDSA-N 2 0 282.432 1.382 10 0 CDAERP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000660835073 424279524 /nfs/dbraw/zinc/27/95/24/424279524.db2.gz CZFBNYAVTSMIBO-CABCVRRESA-N 2 0 296.459 1.500 10 0 CDAERP C[NH+](C)[C@]1(CNC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)CCSC1 ZINC000653110867 424281330 /nfs/dbraw/zinc/28/13/30/424281330.db2.gz XGSZYKJRMMEWGN-IPYPFGDCSA-N 2 0 297.468 1.071 10 0 CDAERP COC[C@H](C)C[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000519041091 265302747 /nfs/dbraw/zinc/30/27/47/265302747.db2.gz AERQSPZCCMHZSI-GFCCVEGCSA-N 2 0 260.447 1.686 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000664718707 424324481 /nfs/dbraw/zinc/32/44/81/424324481.db2.gz IGNRIUHHKFORJL-CZUORRHYSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000659625115 424436291 /nfs/dbraw/zinc/43/62/91/424436291.db2.gz NEFRPFPRUGDUQI-HUUCEWRRSA-N 2 0 296.459 1.630 10 0 CDAERP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)CC[NH2+]C2CC2)C1 ZINC000655485921 424499299 /nfs/dbraw/zinc/49/92/99/424499299.db2.gz LISZVHKCGMXONX-BPLDGKMQSA-N 2 0 295.427 1.016 10 0 CDAERP C[C@@H]1C[NH+](CCCc2cncn2C)C[C@@H](C)C1O ZINC000661623309 424610710 /nfs/dbraw/zinc/61/07/10/424610710.db2.gz ZGLHSELTLRHMOT-VXGBXAGGSA-N 2 0 251.374 1.301 10 0 CDAERP CC1(C)CC(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000530212049 271154432 /nfs/dbraw/zinc/15/44/32/271154432.db2.gz QFJOPSWNGUESEL-CYBMUJFWSA-N 2 0 267.417 1.210 10 0 CDAERP O=c1ccc([C@@H]2CCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)n[nH]1 ZINC000530235474 271176181 /nfs/dbraw/zinc/17/61/81/271176181.db2.gz YPZFDNQCDTYUSP-AAEUAGOBSA-N 2 0 262.357 1.319 10 0 CDAERP COCC[C@H](C)[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530239849 271177636 /nfs/dbraw/zinc/17/76/36/271177636.db2.gz IAJJHXQGUBRWFN-ZFWWWQNUSA-N 2 0 270.417 1.502 10 0 CDAERP C[C@@H](CC[NH2+]CCCF)NC(=O)[C@H]1CCc2nccn2C1 ZINC001668117692 1173371069 /nfs/dbraw/zinc/37/10/69/1173371069.db2.gz LBBCYFHSEQDKBY-STQMWFEESA-N 2 0 296.390 1.290 10 0 CDAERP CCC[NH2+][C@H](C)C(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000417830174 276018370 /nfs/dbraw/zinc/01/83/70/276018370.db2.gz IXNOLZMUCDEMNL-HZSPNIEDSA-N 2 0 267.417 1.365 10 0 CDAERP CC1(C)CC[C@H]([NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)C1 ZINC000333576818 276118056 /nfs/dbraw/zinc/11/80/56/276118056.db2.gz NFRHDQWFGPNXGB-LBPRGKRZSA-N 2 0 277.416 1.940 10 0 CDAERP CC[NH+]1CCC(CC[NH2+][C@H](C2CC2)[C@H]2CNCCO2)CC1 ZINC000422792734 276148811 /nfs/dbraw/zinc/14/88/11/276148811.db2.gz WFMOMSMXHQTBAV-IAGOWNOFSA-N 2 0 295.471 1.465 10 0 CDAERP C[NH2+]C1CCN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000335424543 277263059 /nfs/dbraw/zinc/26/30/59/277263059.db2.gz SDQQRQWJNIKQPI-HNNXBMFYSA-N 2 0 273.380 1.084 10 0 CDAERP C[C@@H](NC(=O)NC1CC[NH+](CC2CCCC2)CC1)[C@H](C)[NH3+] ZINC000417337761 277607680 /nfs/dbraw/zinc/60/76/80/277607680.db2.gz XPSIUTJPRCQKGM-QWHCGFSZSA-N 2 0 296.459 1.676 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCC[N@H+](C)C1CCCCC1 ZINC000422709309 278228986 /nfs/dbraw/zinc/22/89/86/278228986.db2.gz YUKXVBWZQNMHEP-CWRNSKLLSA-N 2 0 283.460 1.593 10 0 CDAERP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(NC(N)=O)cc1 ZINC000133728526 278382420 /nfs/dbraw/zinc/38/24/20/278382420.db2.gz SRSPIMSIEGWIHI-YPMHNXCESA-N 2 0 276.384 1.970 10 0 CDAERP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCC([NH+](C)C)CC2)C1(C)C ZINC000134024200 279886971 /nfs/dbraw/zinc/88/69/71/279886971.db2.gz WESVCYIVIAIHFV-CJNGLKHVSA-N 2 0 297.443 1.072 10 0 CDAERP C[C@@H](C(=O)N1CCCCCC1)N1CCC([NH+](C)C)CC1 ZINC000193816185 280012466 /nfs/dbraw/zinc/01/24/66/280012466.db2.gz JIXHKADMNMZVTN-AWEZNQCLSA-N 2 0 281.444 1.804 10 0 CDAERP CC(C)[C@H]([NH3+])CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000418388916 280284231 /nfs/dbraw/zinc/28/42/31/280284231.db2.gz VYNNNVVZUVVCBF-RWMBFGLXSA-N 2 0 270.421 1.094 10 0 CDAERP CC[C@H]1CN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC[N@@H+]1CCOC ZINC000261704606 288258931 /nfs/dbraw/zinc/25/89/31/288258931.db2.gz IQSSNUCHXINBGK-SOUVJXGZSA-N 2 0 297.443 1.073 10 0 CDAERP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000527658426 281167835 /nfs/dbraw/zinc/16/78/35/281167835.db2.gz ZXOYXZPFPLMQRI-SDADXPQNSA-N 2 0 265.445 1.647 10 0 CDAERP C[NH+](C)[C@@H]1CCC[N@H+](C[C@H](O)CC2(O)CCC2)CC1 ZINC000528478575 281242213 /nfs/dbraw/zinc/24/22/13/281242213.db2.gz UJGFQDSVKBYSGI-ZIAGYGMSSA-N 2 0 270.417 1.069 10 0 CDAERP C[NH+](C)[C@H]1CCC[N@H+](C[C@@H](O)CC2(O)CCC2)CC1 ZINC000528478570 281242312 /nfs/dbraw/zinc/24/23/12/281242312.db2.gz UJGFQDSVKBYSGI-KBPBESRZSA-N 2 0 270.417 1.069 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000417533536 288324530 /nfs/dbraw/zinc/32/45/30/288324530.db2.gz MWZAAGGJHXZRCZ-APIJFGDWSA-N 2 0 296.459 1.547 10 0 CDAERP C[NH+](C)C1(CNC(=O)[C@@H]2[NH2+]CCCC2(C)C)CCCC1 ZINC000234246765 282040850 /nfs/dbraw/zinc/04/08/50/282040850.db2.gz MGQWFZWRZSLMME-ZDUSSCGKSA-N 2 0 281.444 1.755 10 0 CDAERP C[NH+](C)C1(CN[C@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CCOCC1 ZINC000375863043 282046059 /nfs/dbraw/zinc/04/60/59/282046059.db2.gz VGMQNVFLTUDDKD-PMPSAXMXSA-N 2 0 295.471 1.560 10 0 CDAERP CCC[NH2+]CCN(CC)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001668652082 1173436734 /nfs/dbraw/zinc/43/67/34/1173436734.db2.gz HHTMXOLVWQWYAU-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP C[NH+](C)C1CCN(CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000351686546 289070182 /nfs/dbraw/zinc/07/01/82/289070182.db2.gz RAUYVBDPPACFSB-OAHLLOKOSA-N 2 0 253.434 1.887 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)CC(F)(F)F)[C@H](C)C1 ZINC000253296417 289341702 /nfs/dbraw/zinc/34/17/02/289341702.db2.gz SFLAWWGWCKPMFR-WOPDTQHZSA-N 2 0 282.350 1.962 10 0 CDAERP COc1cc(C)nc(CN(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000554875626 290195850 /nfs/dbraw/zinc/19/58/50/290195850.db2.gz KFEQHZUJVNIMJJ-UHFFFAOYSA-N 2 0 294.443 1.324 10 0 CDAERP Cc1ccnc(C)c1NC(=O)NCCNc1cc[nH+]cc1 ZINC000558449823 290395491 /nfs/dbraw/zinc/39/54/91/290395491.db2.gz ZSZVEOKJSLMZHJ-UHFFFAOYSA-N 2 0 285.351 1.749 10 0 CDAERP C[C@@H]1CCCC[C@H]1C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000560888447 293039848 /nfs/dbraw/zinc/03/98/48/293039848.db2.gz QKCZRVBBQBTRKX-OWCLPIDISA-N 2 0 283.460 1.011 10 0 CDAERP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H]1C[NH2+]CC[C@H]1C ZINC000423360893 293261622 /nfs/dbraw/zinc/26/16/22/293261622.db2.gz LVFPGBKBAYKDFZ-GMXABZIVSA-N 2 0 262.401 1.497 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000563110465 293277670 /nfs/dbraw/zinc/27/76/70/293277670.db2.gz WVGJIQKMWYFHEC-HZSPNIEDSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@@H]1[C@@H]([NH2+]CC(=O)N2CC[NH2+]CC2)C[C@@H]1c1ccccc1 ZINC000564822733 293422474 /nfs/dbraw/zinc/42/24/74/293422474.db2.gz WIVYMDPRPXGFFB-BPUTZDHNSA-N 2 0 287.407 1.200 10 0 CDAERP CCC[NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001668827156 1173470101 /nfs/dbraw/zinc/47/01/01/1173470101.db2.gz FRINJZMDHQDFCA-VOTSOKGWSA-N 2 0 281.444 1.923 10 0 CDAERP CC(C)C[C@H](C[NH3+])NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000573584184 294848329 /nfs/dbraw/zinc/84/83/29/294848329.db2.gz XLRACNQZOPTIBH-HIFRSBDPSA-N 2 0 282.432 1.145 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)NCC[NH2+]C1CCCCCC1 ZINC000261962123 295272007 /nfs/dbraw/zinc/27/20/07/295272007.db2.gz KLSYEJPRKDGLIG-UKRRQHHQSA-N 2 0 281.444 1.790 10 0 CDAERP O=C(NCCC[NH+]1CCCCCC1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188693666 295641528 /nfs/dbraw/zinc/64/15/28/295641528.db2.gz HHJRBNIKMSSXEK-QWHCGFSZSA-N 2 0 271.380 1.069 10 0 CDAERP C[NH+](C)CCC(=O)NC/C=C\C[NH2+]Cc1ccsc1 ZINC001669021348 1173496291 /nfs/dbraw/zinc/49/62/91/1173496291.db2.gz WAYSDRQRBYMQTN-ARJAWSKDSA-N 2 0 281.425 1.462 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001669376357 1173541495 /nfs/dbraw/zinc/54/14/95/1173541495.db2.gz IZPIJEBIDHIVCO-MJBXVCDLSA-N 2 0 269.433 1.611 10 0 CDAERP O=C(CCC1CC[NH2+]CC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000263210883 303577032 /nfs/dbraw/zinc/57/70/32/303577032.db2.gz KHLVOYMKXRJKBG-CQSZACIVSA-N 2 0 265.401 1.119 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001669644632 1173581218 /nfs/dbraw/zinc/58/12/18/1173581218.db2.gz DXIAQWTYVVNHES-RFGFWPKPSA-N 2 0 287.423 1.559 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000575866128 317028050 /nfs/dbraw/zinc/02/80/50/317028050.db2.gz GWGIEHFSLDGREM-NRXISQOPSA-N 2 0 293.455 1.613 10 0 CDAERP C[NH+](C)C[C@H]1CCN(C(=O)[C@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000576277755 317109065 /nfs/dbraw/zinc/10/90/65/317109065.db2.gz QTSWPUNZCDGJMX-IUODEOHRSA-N 2 0 293.386 1.278 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000576373747 317128400 /nfs/dbraw/zinc/12/84/00/317128400.db2.gz RHHZIIFOXXEMCS-RDBSUJKOSA-N 2 0 282.432 1.158 10 0 CDAERP CN(C)C(=O)[C@H]1CCC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000120044529 1173861566 /nfs/dbraw/zinc/86/15/66/1173861566.db2.gz RPRHJBOQXZNNFX-UONOGXRCSA-N 2 0 267.417 1.271 10 0 CDAERP CC(C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001673928793 1173899145 /nfs/dbraw/zinc/89/91/45/1173899145.db2.gz MTUIKYJWEIGNMV-QWHCGFSZSA-N 2 0 255.406 1.172 10 0 CDAERP C[C@@H]([NH3+])C1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000583263335 325140103 /nfs/dbraw/zinc/14/01/03/325140103.db2.gz DXRXGVKKJSMDNB-LLVKDONJSA-N 2 0 276.384 1.347 10 0 CDAERP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@H](c2cnn[nH]2)c2ccc(F)cc2)C1 ZINC000583687695 325220721 /nfs/dbraw/zinc/22/07/21/325220721.db2.gz IUGILTXZEMOXJA-YVLXSGLVSA-N 2 0 289.358 1.750 10 0 CDAERP CN(CC[NH2+]CCc1ccccc1F)C(=O)CC[NH+](C)C ZINC001691459192 1159319180 /nfs/dbraw/zinc/31/91/80/1159319180.db2.gz SGCNMFXFSOYEGQ-UHFFFAOYSA-N 2 0 295.402 1.368 10 0 CDAERP CC(C)[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001271074086 1160242307 /nfs/dbraw/zinc/24/23/07/1160242307.db2.gz DRSLHDSFWHSSLG-MJBXVCDLSA-N 2 0 269.433 1.562 10 0 CDAERP C[C@@H](CNC(=O)CC1([NH3+])CC1)C[NH+]1CCCCC1 ZINC000398086729 482244089 /nfs/dbraw/zinc/24/40/89/482244089.db2.gz MMLWVGXJANXERA-LBPRGKRZSA-N 2 0 253.390 1.106 10 0 CDAERP C[NH+](C)C1(CNC(=O)NCCC2(C[NH3+])CC2)CCCC1 ZINC000652118897 482442557 /nfs/dbraw/zinc/44/25/57/482442557.db2.gz AEHZIUXUUUYDSN-UHFFFAOYSA-N 2 0 282.432 1.289 10 0 CDAERP O[C@H]1C[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C12CCC2 ZINC000668622894 482492742 /nfs/dbraw/zinc/49/27/42/482492742.db2.gz GCTGWKDEOCNKFA-CVEARBPZSA-N 2 0 287.407 1.944 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000094647894 482799392 /nfs/dbraw/zinc/79/93/92/482799392.db2.gz IXXBSOLMWUWJJI-GXTWGEPZSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000228493332 482854551 /nfs/dbraw/zinc/85/45/51/482854551.db2.gz SCMHFLCVZHXTHV-MJBXVCDLSA-N 2 0 267.417 1.303 10 0 CDAERP Cc1nccn1CCCNC(=O)[C@H]1CCc2nc[nH]c2C1 ZINC000666897680 482968735 /nfs/dbraw/zinc/96/87/35/482968735.db2.gz XVTCWYJFUMIBGD-LBPRGKRZSA-N 2 0 287.367 1.226 10 0 CDAERP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000666114459 482997704 /nfs/dbraw/zinc/99/77/04/482997704.db2.gz DCVLWWVJFFHHCY-OAHLLOKOSA-N 2 0 297.830 1.038 10 0 CDAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000666114458 482997857 /nfs/dbraw/zinc/99/78/57/482997857.db2.gz DCVLWWVJFFHHCY-HNNXBMFYSA-N 2 0 297.830 1.038 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000666930290 483005652 /nfs/dbraw/zinc/00/56/52/483005652.db2.gz VVXJGGCXIXJBDP-STQMWFEESA-N 2 0 265.401 1.452 10 0 CDAERP C[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)[C@H](C)[NH3+] ZINC000666930289 483005765 /nfs/dbraw/zinc/00/57/65/483005765.db2.gz VVXJGGCXIXJBDP-QWHCGFSZSA-N 2 0 265.401 1.452 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250641302 483021739 /nfs/dbraw/zinc/02/17/39/483021739.db2.gz HJCOAAYWNIEKOO-XUXIUFHCSA-N 2 0 265.401 1.104 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C1CCC([NH3+])CC1 ZINC000251583939 483056861 /nfs/dbraw/zinc/05/68/61/483056861.db2.gz CMJMYEUHXPNSDZ-URGYJCLVSA-N 2 0 279.428 1.589 10 0 CDAERP COc1ccc2cc(C[NH2+]C[C@H]3C[NH2+]C[C@@H]3O)ccc2c1 ZINC000263117968 483127724 /nfs/dbraw/zinc/12/77/24/483127724.db2.gz ARXGWUUWAYCOQU-RDJZCZTQSA-N 2 0 286.375 1.518 10 0 CDAERP CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000675182467 483243175 /nfs/dbraw/zinc/24/31/75/483243175.db2.gz SKFGUBQRZLQMJX-KGLIPLIRSA-N 2 0 282.432 1.254 10 0 CDAERP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC/C=C\C[NH3+] ZINC000669489840 483278740 /nfs/dbraw/zinc/27/87/40/483278740.db2.gz OBVAUFIVROSWNL-ZFDPJTLLSA-N 2 0 268.405 1.065 10 0 CDAERP COc1cc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc2c1OCCO2 ZINC000414932088 483295381 /nfs/dbraw/zinc/29/53/81/483295381.db2.gz VKWVUJDTWIJHDU-OLZOCXBDSA-N 2 0 292.379 1.826 10 0 CDAERP C[NH+](C)C[C@@H]1CCN(Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667628886 483358930 /nfs/dbraw/zinc/35/89/30/483358930.db2.gz SUOZJCFCTQIFMV-AWEZNQCLSA-N 2 0 285.395 1.651 10 0 CDAERP CC(C)[NH2+]CCC[C@@H](C)[NH+]1CCN(C2CC2)CC1 ZINC000052371364 519721048 /nfs/dbraw/zinc/72/10/48/519721048.db2.gz QEYJZDGMBLKOIX-CQSZACIVSA-N 2 0 253.434 1.933 10 0 CDAERP CC(C)C[NH2+]CCC[C@H](C)[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061654963 519743761 /nfs/dbraw/zinc/74/37/61/519743761.db2.gz ZTFIPEQMTIXTGJ-KRWDZBQOSA-N 3 0 298.519 1.580 10 0 CDAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2CCC[NH+](C)C ZINC000054626572 519907845 /nfs/dbraw/zinc/90/78/45/519907845.db2.gz XYXFQUIOUDUOTI-GOOCMWNKSA-N 2 0 253.434 1.933 10 0 CDAERP CCC[NH2+]CC1(C[N@@H+]2CCC[C@@H](CO)C2)CCOCC1 ZINC000052180487 519910335 /nfs/dbraw/zinc/91/03/35/519910335.db2.gz VJJALAGJFQRJBC-OAHLLOKOSA-N 2 0 284.444 1.487 10 0 CDAERP CCC[NH2+]C[C@@](C)(CC)CN1CCN(CC[NH+](C)C)CC1 ZINC000061653741 519928656 /nfs/dbraw/zinc/92/86/56/519928656.db2.gz PZBLSXDFJYZSNB-QGZVFWFLSA-N 2 0 298.519 1.582 10 0 CDAERP CC[NH2+]Cc1cn(CC[N@@H+]2CCCC[C@H]2C)nn1 ZINC000052378849 520012971 /nfs/dbraw/zinc/01/29/71/520012971.db2.gz PQOXHZXZDJNYMN-GFCCVEGCSA-N 2 0 251.378 1.262 10 0 CDAERP CCC[NH2+][C@H]1CCC[C@H]1N1CCC[C@@H]1C[NH+](C)C ZINC000061643741 520094337 /nfs/dbraw/zinc/09/43/37/520094337.db2.gz BGWOZFSUKVXXLQ-QLFBSQMISA-N 2 0 253.434 1.933 10 0 CDAERP CC[NH2+][C@@H](CN1CC[C@H]([NH+](CC)CC)C1)C1CC1 ZINC000069075425 520099755 /nfs/dbraw/zinc/09/97/55/520099755.db2.gz HXWZEEGYZGCYRI-GJZGRUSLSA-N 2 0 253.434 1.791 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@H]([NH3+])[C@@H]2C)CC1 ZINC000055129375 521556718 /nfs/dbraw/zinc/55/67/18/521556718.db2.gz MLFQVMUTUPKPKS-SNPRPXQTSA-N 2 0 281.444 1.693 10 0 CDAERP CCCN(CC[NH+](C)C)CC1(C[NH2+]C)CCOCC1 ZINC000052183234 521656524 /nfs/dbraw/zinc/65/65/24/521656524.db2.gz XSHVORMBYVFKDK-UHFFFAOYSA-N 2 0 271.449 1.276 10 0 CDAERP C[NH+](C)CCN1CC[NH+]([C@@H]2CCCCCC[C@@H]2O)CC1 ZINC000061652733 521764310 /nfs/dbraw/zinc/76/43/10/521764310.db2.gz KITAACKFTOMJGX-CVEARBPZSA-N 2 0 283.460 1.249 10 0 CDAERP COC[C@@H](O)C[N@H+](C)[C@@H](CC[NH3+])c1ccccc1 ZINC000055017112 522397412 /nfs/dbraw/zinc/39/74/12/522397412.db2.gz FWYSTWSJCULTNR-KBPBESRZSA-N 2 0 252.358 1.016 10 0 CDAERP C(CN1CCC(C[NH+]2CCOCC2)CC1)C[NH+]1CCCC1 ZINC000161578856 518386523 /nfs/dbraw/zinc/38/65/23/518386523.db2.gz KZQTWKZSAUVYRA-UHFFFAOYSA-N 2 0 295.471 1.517 10 0 CDAERP C(C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21)N1CCC[NH2+]CC1 ZINC000061275047 518388959 /nfs/dbraw/zinc/38/89/59/518388959.db2.gz OBYCKNUHXUASME-HOTGVXAUSA-N 2 0 265.445 1.936 10 0 CDAERP C(CN[C@H]1CC[N@@H+]2CCCC[C@@H]12)C[NH+]1CCCC1 ZINC000049564884 518394355 /nfs/dbraw/zinc/39/43/55/518394355.db2.gz WUEFPBLKDQMWLE-GJZGRUSLSA-N 2 0 251.418 1.689 10 0 CDAERP CC(C)(C)[NH2+]CC1(C[N@@H+]2CCC[C@@H](O)C2)CCOCC1 ZINC000052197499 518753054 /nfs/dbraw/zinc/75/30/54/518753054.db2.gz NVTUZSWHWZHSGA-CQSZACIVSA-N 2 0 284.444 1.628 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055131892 519620982 /nfs/dbraw/zinc/62/09/82/519620982.db2.gz CQBCHDFQBWJEBB-STQMWFEESA-N 2 0 255.406 1.350 10 0 CDAERP CC(C)C[NH+]1CCN(Cc2ccc(C[NH3+])o2)CC1 ZINC000055082642 519727192 /nfs/dbraw/zinc/72/71/92/519727192.db2.gz IXICVKVSWLOBOJ-UHFFFAOYSA-N 2 0 251.374 1.512 10 0 CDAERP CC(C)C[NH2+]CC1(C[N@@H+]2CCCC[C@@H]2CO)CCOCC1 ZINC000052183604 519742989 /nfs/dbraw/zinc/74/29/89/519742989.db2.gz WZNAWFCHHIWTSX-MRXNPFEDSA-N 2 0 298.471 1.876 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)C2CCOCC2)O1 ZINC000052481274 519744857 /nfs/dbraw/zinc/74/48/57/519744857.db2.gz RXHUIWOPPWFQFW-HOTGVXAUSA-N 2 0 284.444 1.890 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)C[NH2+]C1CCCC1 ZINC000049220831 519793249 /nfs/dbraw/zinc/79/32/49/519793249.db2.gz UQEHUIWVWFRJRO-CYBMUJFWSA-N 2 0 255.406 1.221 10 0 CDAERP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000182835466 519817359 /nfs/dbraw/zinc/81/73/59/519817359.db2.gz MGBZQWAJIPYVOF-QLFBSQMISA-N 2 0 275.396 1.531 10 0 CDAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCC(O)CC1 ZINC000054626679 519910757 /nfs/dbraw/zinc/91/07/57/519910757.db2.gz DKGBACHAWYALQG-QRFUTXMCSA-N 2 0 252.402 1.895 10 0 CDAERP CC[NH2+]Cc1cn(CC[N@@H+]2CCC[C@@H](C)[C@@H]2C)nn1 ZINC000052373363 520012352 /nfs/dbraw/zinc/01/23/52/520012352.db2.gz RDEIXHODJAVGDB-OLZOCXBDSA-N 2 0 265.405 1.508 10 0 CDAERP CC[NH2+]Cc1occc1CN1CC[NH+](C2CC2)CC1 ZINC000052371317 520029790 /nfs/dbraw/zinc/02/97/90/520029790.db2.gz VAIXKXRIQSTIKF-UHFFFAOYSA-N 2 0 263.385 1.669 10 0 CDAERP CC[NH2+][C@@](C)(CCC[N@H+](C)C(C)(C)CC)C(N)=O ZINC000069446683 520130453 /nfs/dbraw/zinc/13/04/53/520130453.db2.gz MPCCDIJXMMKOBL-AWEZNQCLSA-N 2 0 257.422 1.741 10 0 CDAERP CC[NH2+][C@@](C)(CCC[N@@H+]1CCCC(C)(C)C1)C(N)=O ZINC000069516662 520133203 /nfs/dbraw/zinc/13/32/03/520133203.db2.gz OXAYKYXBTCCGGM-HNNXBMFYSA-N 2 0 269.433 1.742 10 0 CDAERP CC[NH2+][C@H](CN1CC[C@H]([NH+](CC)CC)C1)C1CC1 ZINC000069075428 520199498 /nfs/dbraw/zinc/19/94/98/520199498.db2.gz HXWZEEGYZGCYRI-LSDHHAIUSA-N 2 0 253.434 1.791 10 0 CDAERP CCOC(=O)CC[NH2+][C@H](C)C1CC[NH+](CC)CC1 ZINC000045687128 520689840 /nfs/dbraw/zinc/68/98/40/520689840.db2.gz PASYOCWBICVMJG-GFCCVEGCSA-N 2 0 256.390 1.650 10 0 CDAERP CCC[C@@H](C[NH3+])C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062941454 520704905 /nfs/dbraw/zinc/70/49/05/520704905.db2.gz WPENPZJMNZSGAJ-QWHCGFSZSA-N 2 0 253.390 1.058 10 0 CDAERP CC1CCC(C[NH3+])(N2CCC[C@@H]2C[NH+](C)C)CC1 ZINC000061643051 520915320 /nfs/dbraw/zinc/91/53/20/520915320.db2.gz VSJHOFAPBANZIK-SHARSMKWSA-N 2 0 253.434 1.920 10 0 CDAERP CCC(CC)[C@@H](CNC(=O)[C@H](C)[NH3+])[NH+]1CCCC1 ZINC000164391078 521604994 /nfs/dbraw/zinc/60/49/94/521604994.db2.gz CKQNNZCDIZGXHC-WCQYABFASA-N 2 0 255.406 1.350 10 0 CDAERP CCC1(C)CC[NH+](CCN2CCC[NH2+]CC2)CC1 ZINC000062959777 521677339 /nfs/dbraw/zinc/67/73/39/521677339.db2.gz HBCQHVFBZGPLTK-UHFFFAOYSA-N 2 0 253.434 1.794 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1c1nc2c(cc1C[NH3+])CCCC2 ZINC000061641608 521844555 /nfs/dbraw/zinc/84/45/55/521844555.db2.gz YLXPSAMKLXDUKW-HNNXBMFYSA-N 2 0 288.439 1.950 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1c1nc2c(cc1C[NH3+])CCC2 ZINC000061641604 521846248 /nfs/dbraw/zinc/84/62/48/521846248.db2.gz LTQPCICWNXNCDC-AWEZNQCLSA-N 2 0 274.412 1.559 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)C1([NH3+])CCCCC1 ZINC000061645043 521860512 /nfs/dbraw/zinc/86/05/12/521860512.db2.gz KQRPZRDTIMKTNY-GFCCVEGCSA-N 2 0 253.390 1.201 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)C[C@@H]1CCCC[NH2+]1 ZINC000061652090 521861673 /nfs/dbraw/zinc/86/16/73/521861673.db2.gz VFFGSNDIRGWNJO-QWHCGFSZSA-N 2 0 253.390 1.071 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000061645033 521863089 /nfs/dbraw/zinc/86/30/89/521863089.db2.gz OSIWPZAUCANTDG-LJISPDSOSA-N 2 0 279.428 1.460 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C[C@](C)([NH3+])c1ccccc1 ZINC000061652456 521868766 /nfs/dbraw/zinc/86/87/66/521868766.db2.gz FQERBPOEDNJLHI-CVEARBPZSA-N 2 0 261.413 1.887 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1[C@@H](C[NH3+])c1ccccc1F ZINC000061642183 521873291 /nfs/dbraw/zinc/87/32/91/521873291.db2.gz LLUYRPCOLQBNGY-DOMZBBRYSA-N 2 0 265.376 1.852 10 0 CDAERP C[NH2+]Cc1ccc(N2CC[C@H]([NH+]3CCCCC3)C2)nn1 ZINC000062971505 522119826 /nfs/dbraw/zinc/11/98/26/522119826.db2.gz BMKDYVKXHHHVIN-AWEZNQCLSA-N 2 0 275.400 1.261 10 0 CDAERP C[NH2+]Cc1ccoc1C[N@H+](C)C[C@@H]1CCCCO1 ZINC000052507256 522138839 /nfs/dbraw/zinc/13/88/39/522138839.db2.gz GNAAITCAGBMOMJ-ZDUSSCGKSA-N 2 0 252.358 2.000 10 0 CDAERP C[NH2+][C@@H](CN1CC[C@H]([NH+]2CCCCC2)C1)C1CC1 ZINC000069075461 522353590 /nfs/dbraw/zinc/35/35/90/522353590.db2.gz UVFXIZQVJFSVCJ-GJZGRUSLSA-N 2 0 251.418 1.545 10 0 CDAERP CC[C@@H](CC[NH3+])[N@@H+]1CCCN(c2nccn2CC)CC1 ZINC000050607947 522497709 /nfs/dbraw/zinc/49/77/09/522497709.db2.gz KOKKWODTSXODMV-AWEZNQCLSA-N 2 0 279.432 1.543 10 0 CDAERP CC[C@@H](CC[NH3+])N1CC[NH+](CCCn2ccnc2)CC1 ZINC000049327483 522498305 /nfs/dbraw/zinc/49/83/05/522498305.db2.gz KBMIUWLTXVDDSU-HNNXBMFYSA-N 2 0 279.432 1.018 10 0 CDAERP C[NH2+][C@H]1CCCc2nc(N3CC[C@H]([NH+](C)C)C3)sc21 ZINC000062975104 522499210 /nfs/dbraw/zinc/49/92/10/522499210.db2.gz XWGFCKAIHHJEBR-QWRGUYRKSA-N 2 0 280.441 1.880 10 0 CDAERP COC[C@H](C)NC(=O)C[N@H+](CCC[NH3+])C1CCCCCC1 ZINC000049290517 522600464 /nfs/dbraw/zinc/60/04/64/522600464.db2.gz KDKFTWAKRZSMTP-AWEZNQCLSA-N 2 0 299.459 1.511 10 0 CDAERP C[N@H+](CCN1CC[NH2+]CC1)C1CCC(C(F)(F)F)CC1 ZINC000069375675 522836195 /nfs/dbraw/zinc/83/61/95/522836195.db2.gz ARFOEHYLULBDEY-UHFFFAOYSA-N 2 0 293.377 1.945 10 0 CDAERP C[N@H+](CCc1ccncc1)Cc1ccnc(C(N)=[NH2+])c1 ZINC000068761273 522976539 /nfs/dbraw/zinc/97/65/39/522976539.db2.gz MRMKZLDTLIIBON-UHFFFAOYSA-N 2 0 269.352 1.435 10 0 CDAERP COCCC[N@H+](CCOC)Cc1cc(C[NH2+]C(C)C)no1 ZINC000052543255 523256335 /nfs/dbraw/zinc/25/63/35/523256335.db2.gz OHGIUBMARVOYQB-UHFFFAOYSA-N 2 0 299.415 1.658 10 0 CDAERP CC[C@@H]1CC[C@H](O)[C@H]([NH+]2CCN(CC[NH+](C)C)CC2)C1 ZINC000061652703 523368943 /nfs/dbraw/zinc/36/89/43/523368943.db2.gz PHSHPEPIGQRWLQ-OAGGEKHMSA-N 2 0 283.460 1.105 10 0 CDAERP CN([C@@H]1Cc2ccccc2[C@@H]1[NH3+])C1CC[NH+](C)CC1 ZINC000052684840 523626584 /nfs/dbraw/zinc/62/65/84/523626584.db2.gz FWGDQNQKONLACY-CVEARBPZSA-N 2 0 259.397 1.637 10 0 CDAERP C[NH+]1CCC(CNC(=O)[C@H]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000055162865 523763252 /nfs/dbraw/zinc/76/32/52/523763252.db2.gz UZOHPNGAECQXJI-KGLIPLIRSA-N 2 0 267.417 1.210 10 0 CDAERP C[NH+]1CCC(N2CCC[NH2+][C@@H](Cc3ccccc3)C2)CC1 ZINC000062704329 523768766 /nfs/dbraw/zinc/76/87/66/523768766.db2.gz DPFWFQIDGSXYPT-KRWDZBQOSA-N 2 0 287.451 1.987 10 0 CDAERP COCC[N@H+](Cc1cc[nH+]c(NN)c1)[C@H](C)C1CC1 ZINC000052721129 523769282 /nfs/dbraw/zinc/76/92/82/523769282.db2.gz QTQQRKZCKAFXCL-LLVKDONJSA-N 2 0 264.373 1.614 10 0 CDAERP C[NH+]1CCC(OCCOc2cccc(C[NH3+])c2)CC1 ZINC000052596752 523779946 /nfs/dbraw/zinc/77/99/46/523779946.db2.gz AGJDGHMWLVFPGI-UHFFFAOYSA-N 2 0 264.369 1.635 10 0 CDAERP COc1ccc(C)cc1C[N@@H+]1CCCN(CCC[NH3+])CC1 ZINC000050702702 523809376 /nfs/dbraw/zinc/80/93/76/523809376.db2.gz QLIWYRMFHHSROQ-UHFFFAOYSA-N 2 0 291.439 1.860 10 0 CDAERP COCC[NH2+]C[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000069311272 523940505 /nfs/dbraw/zinc/94/05/05/523940505.db2.gz WUIAMSJYNOOQTI-ZDUSSCGKSA-N 2 0 256.390 1.113 10 0 CDAERP CC[C@H](C)[NH+]1CCN(c2ccc(C[NH2+]C)cn2)CC1 ZINC000055073383 523960150 /nfs/dbraw/zinc/96/01/50/523960150.db2.gz XZNLQTLCVLZPQF-ZDUSSCGKSA-N 2 0 262.401 1.722 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@@H]2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000055147422 524038504 /nfs/dbraw/zinc/03/85/04/524038504.db2.gz UPXWJEASYDNKGG-UONOGXRCSA-N 2 0 281.444 1.694 10 0 CDAERP Cc1cc(C)c(C(N)=[NH2+])c(N2CCC[C@@H]2C[NH+](C)C)n1 ZINC000061644640 524217793 /nfs/dbraw/zinc/21/77/93/524217793.db2.gz KDIBJKXBEMOXDR-GFCCVEGCSA-N 2 0 275.400 1.513 10 0 CDAERP C[C@@H]1CCC[NH2+][C@H]1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000051793250 524262604 /nfs/dbraw/zinc/26/26/04/524262604.db2.gz NVZYQTRRTJIIDP-GDBMZVCRSA-N 2 0 293.455 1.851 10 0 CDAERP Cc1cccc(N2CC[NH+](C[C@H]3CC[C@H](C[NH3+])O3)CC2)c1 ZINC000052418942 524558230 /nfs/dbraw/zinc/55/82/30/524558230.db2.gz HPOSUQAKFBRXBX-IAGOWNOFSA-N 2 0 289.423 1.623 10 0 CDAERP C[C@@H]1CC[C@@H](C)[C@H]([N@@H+]2CCC[C@@H]2C(=O)N2CC[NH2+]CC2)C1 ZINC000068632405 524580707 /nfs/dbraw/zinc/58/07/07/524580707.db2.gz JAQRJOJOTPILMT-KLHDSHLOSA-N 2 0 293.455 1.707 10 0 CDAERP C[C@@H]1CC[C@@H]([NH3+])C[C@@H]1C(=O)NCC[NH+]1CCCCC1 ZINC000055138378 524601648 /nfs/dbraw/zinc/60/16/48/524601648.db2.gz RMVSSEIQKDLNDQ-MCIONIFRSA-N 2 0 267.417 1.352 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2C[NH+](C)C)CC[C@@H]1[NH3+] ZINC000061656182 524767845 /nfs/dbraw/zinc/76/78/45/524767845.db2.gz XXTJSKVMWVKCOT-FQUUOJAGSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@@H]1c2ccsc2CC[N@H+]1CCN1CCC[NH2+]CC1 ZINC000061275565 525735829 /nfs/dbraw/zinc/73/58/29/525735829.db2.gz BUTRZDAKNXAJBR-CYBMUJFWSA-N 2 0 279.453 1.963 10 0 CDAERP C[C@@]([NH3+])(CN1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000052883488 525751323 /nfs/dbraw/zinc/75/13/23/525751323.db2.gz SVZKKYANBNBETL-MRXNPFEDSA-N 2 0 259.397 1.641 10 0 CDAERP C[C@H](CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)C1CC[NH2+]CC1 ZINC000186718958 526245392 /nfs/dbraw/zinc/24/53/92/526245392.db2.gz RIJPYLPXLQGJKA-OUCADQQQSA-N 2 0 267.417 1.126 10 0 CDAERP O=C(CCC1CC[NH2+]CC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000050946930 526410284 /nfs/dbraw/zinc/41/02/84/526410284.db2.gz OFXVBQZKMJIQBM-OAHLLOKOSA-N 2 0 279.428 1.463 10 0 CDAERP O=C(CC[C@H]1CCCC[NH2+]1)N[C@H]1C[NH+]2CCC1CC2 ZINC000050940090 526565443 /nfs/dbraw/zinc/56/54/43/526565443.db2.gz XCGGLKLRJLBQBG-KGLIPLIRSA-N 2 0 265.401 1.119 10 0 CDAERP OCC[C@H]1CCCC[N@@H+]1CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181061 527568590 /nfs/dbraw/zinc/56/85/90/527568590.db2.gz YWZFWWMSLPRQEP-MRXNPFEDSA-N 2 0 296.455 1.772 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C)[C@H](C)[NH3+])C1 ZINC000417907201 527985667 /nfs/dbraw/zinc/98/56/67/527985667.db2.gz DPNUKIOJZPJPDC-MELADBBJSA-N 2 0 284.448 1.389 10 0 CDAERP CC[N@H+](CCNC(=O)N[C@H](C)[C@H](C)[NH3+])CCC(F)(F)F ZINC000418082380 528497992 /nfs/dbraw/zinc/49/79/92/528497992.db2.gz XLVVWPHICFUAIO-VHSXEESVSA-N 2 0 298.353 1.296 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000262462413 535137758 /nfs/dbraw/zinc/13/77/58/535137758.db2.gz VXZVLVQCPAKEKA-ZNMIVQPWSA-N 2 0 281.444 1.469 10 0 CDAERP CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252865301 535356673 /nfs/dbraw/zinc/35/66/73/535356673.db2.gz PSDHSUJFZIWVFV-AVGNSLFASA-N 2 0 267.417 1.350 10 0 CDAERP C[NH+](C)CCN(Cc1ccco1)C(=O)C1CC[NH2+]CC1 ZINC000237154636 535866063 /nfs/dbraw/zinc/86/60/63/535866063.db2.gz DYUAXXKEPUDSSH-UHFFFAOYSA-N 2 0 279.384 1.169 10 0 CDAERP CC[C@H](Cn1cncn1)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000414185931 536137152 /nfs/dbraw/zinc/13/71/52/536137152.db2.gz OUGHRZIIIUKJHI-UONOGXRCSA-N 2 0 265.405 1.378 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCc1ccccc1F ZINC000234786540 536851020 /nfs/dbraw/zinc/85/10/20/536851020.db2.gz PBEOLZBDQFKDKB-ZDUSSCGKSA-N 2 0 254.349 1.712 10 0 CDAERP COc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1OC ZINC000261656199 536897862 /nfs/dbraw/zinc/89/78/62/536897862.db2.gz YSSBMYHUYIFOLR-DGCLKSJQSA-N 2 0 264.369 1.791 10 0 CDAERP Cc1nn(C)c(C)c1CC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000124270420 538441648 /nfs/dbraw/zinc/44/16/48/538441648.db2.gz DYYACOZOQZUYIE-GFCCVEGCSA-N 2 0 278.444 1.899 10 0 CDAERP CCCCOCCOCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925527714 617454576 /nfs/dbraw/zinc/45/45/76/617454576.db2.gz WQZVKPNFIZCEDY-ZIAGYGMSSA-N 2 0 270.417 1.679 10 0 CDAERP CS[C@H](CO)[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925612686 617557305 /nfs/dbraw/zinc/55/73/05/617557305.db2.gz TWMUBWIGIDRQOE-PMOUVXMZSA-N 2 0 286.485 1.857 10 0 CDAERP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925628283 617576190 /nfs/dbraw/zinc/57/61/90/617576190.db2.gz ZMSPDEGLURJAMW-LPWJVIDDSA-N 2 0 267.417 1.397 10 0 CDAERP Cc1ccc([C@@H](O)C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925658138 617598882 /nfs/dbraw/zinc/59/88/82/617598882.db2.gz GWESEWYQZFFYCA-ZNMIVQPWSA-N 2 0 260.381 1.888 10 0 CDAERP CC1(C)[C@H]([NH2+][C@H]2CCc3nc[nH]c3C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925668037 617622559 /nfs/dbraw/zinc/62/25/59/617622559.db2.gz FQOHLFIJNCEKDT-IDTSFGKNSA-N 2 0 274.412 1.633 10 0 CDAERP COc1cccc([C@@H](C)[NH2+]CCN2CCC([NH3+])CC2)c1 ZINC000925808711 617749388 /nfs/dbraw/zinc/74/93/88/617749388.db2.gz DKAYAZCFHSGZEG-CYBMUJFWSA-N 2 0 277.412 1.769 10 0 CDAERP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc[nH]c3)C2)[C@H]1C(C)C ZINC000888097850 617761069 /nfs/dbraw/zinc/76/10/69/617761069.db2.gz QKZASPXTVVSTCG-VQHPVUNQSA-N 2 0 291.439 1.974 10 0 CDAERP [NH3+]CCC[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccccc1 ZINC000925816920 617772055 /nfs/dbraw/zinc/77/20/55/617772055.db2.gz LODCJAOIJYTAKE-QGZVFWFLSA-N 3 0 290.455 1.479 10 0 CDAERP COC1(OC)CC[C@@H]1[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000924606366 617781814 /nfs/dbraw/zinc/78/18/14/617781814.db2.gz LDYIEBLARNQXGL-HNNXBMFYSA-N 2 0 278.396 1.989 10 0 CDAERP FCCOCC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925716535 617835279 /nfs/dbraw/zinc/83/52/79/617835279.db2.gz OTBHFGMZWGWCRQ-KBPBESRZSA-N 2 0 258.381 1.730 10 0 CDAERP CCS(=O)(=O)c1ccccc1CC[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000925834702 617862927 /nfs/dbraw/zinc/86/29/27/617862927.db2.gz OIUAVXWIZNGRDQ-CHWSQXEVSA-N 2 0 298.452 1.738 10 0 CDAERP Cn1cc(CC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)c2cccnc21 ZINC000925728472 617986888 /nfs/dbraw/zinc/98/68/88/617986888.db2.gz VNZXPTQVDBEDCV-HUUCEWRRSA-N 2 0 284.407 1.975 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@](C)(O)c1cccc(F)c1 ZINC000926889553 618047357 /nfs/dbraw/zinc/04/73/57/618047357.db2.gz LEISABCKXJANRO-BHZYAJLCSA-N 2 0 292.398 1.963 10 0 CDAERP C[NH+](C)CCCN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925503700 618157869 /nfs/dbraw/zinc/15/78/69/618157869.db2.gz OXWYGFODJYDNKF-LSDHHAIUSA-N 2 0 253.434 1.696 10 0 CDAERP O[C@H](C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)CC(F)(F)F ZINC000923363260 618323681 /nfs/dbraw/zinc/32/36/81/618323681.db2.gz BGCVDQMOIMKMPP-SRVKXCTJSA-N 2 0 280.334 1.764 10 0 CDAERP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CCC[NH2+]C2CC2)C1 ZINC000923392643 618325714 /nfs/dbraw/zinc/32/57/14/618325714.db2.gz KLYLXCGBLLAAGK-KBMXLJTQSA-N 2 0 281.444 1.489 10 0 CDAERP CCOC[C@@H](O)C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000923416460 618326340 /nfs/dbraw/zinc/32/63/40/618326340.db2.gz WUSBMRQMWAQGSW-JSGCOSHPSA-N 2 0 258.406 1.081 10 0 CDAERP CC1(C)C[C@@H](O)C[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923415806 618327089 /nfs/dbraw/zinc/32/70/89/618327089.db2.gz RBEADSZPDRMZAJ-JALIKCBVSA-N 2 0 266.429 2.000 10 0 CDAERP COC[C@@H](O)C[N@@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000923424070 618329403 /nfs/dbraw/zinc/32/94/03/618329403.db2.gz FQCJDXIIUDHFAF-VNQPRFMTSA-N 2 0 284.444 1.613 10 0 CDAERP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccnnc1 ZINC000924960900 618433339 /nfs/dbraw/zinc/43/33/39/618433339.db2.gz UCSACJRLLIMXFF-CQSZACIVSA-N 2 0 291.443 1.401 10 0 CDAERP CON(C)C(=O)CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000788012799 619111950 /nfs/dbraw/zinc/11/19/50/619111950.db2.gz YBRHAXAYJGNIPH-UHFFFAOYSA-N 2 0 283.416 1.204 10 0 CDAERP COCC[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+]2C(C)(C)C)CC1 ZINC000896625795 620165735 /nfs/dbraw/zinc/16/57/35/620165735.db2.gz FHCALUVAOBTEEN-AWEZNQCLSA-N 2 0 297.443 1.040 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)NC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC000897805594 621133072 /nfs/dbraw/zinc/13/30/72/621133072.db2.gz JLMWZSMBVQWVSB-HOCLYGCPSA-N 2 0 281.444 1.709 10 0 CDAERP COC[C@H](CCO)[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000902814827 625468010 /nfs/dbraw/zinc/46/80/10/625468010.db2.gz QVCRYYBPBOGOCN-HIFRSBDPSA-N 2 0 289.379 1.920 10 0 CDAERP C(NC1CC[NH+](C2CC2)CC1)[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927104163 621707936 /nfs/dbraw/zinc/70/79/36/621707936.db2.gz WMSFFFBYLLHLKC-KRWDZBQOSA-N 2 0 293.455 1.456 10 0 CDAERP CCN(C(=O)[C@H]1CC[NH+]1C(C)(C)C)[C@@H]1CC[N@H+](C)C1 ZINC000898587894 621801371 /nfs/dbraw/zinc/80/13/71/621801371.db2.gz SMSJRBXEXOVEAR-CHWSQXEVSA-N 2 0 267.417 1.412 10 0 CDAERP CCO[C@H](CC[NH+](C)C)CNC(=[NH2+])N[C@H](C)C1CC1 ZINC000899271310 622135502 /nfs/dbraw/zinc/13/55/02/622135502.db2.gz VIZTZGCMEXLORX-DGCLKSJQSA-N 2 0 270.421 1.256 10 0 CDAERP CC(C)C[C@@H]([NH2+]CCOCC[NH+](C)C)C1CCOCC1 ZINC000902970269 625692307 /nfs/dbraw/zinc/69/23/07/625692307.db2.gz KYZRNBSJJOYCEU-MRXNPFEDSA-N 2 0 286.460 1.996 10 0 CDAERP C[C@@H]1[C@H](N[C@@H]2CC[NH+](C)[C@@H]3CCC[C@@H]32)CC[N@@H+]1C ZINC000903300123 625959541 /nfs/dbraw/zinc/95/95/41/625959541.db2.gz GVNXXDOUTNUBPY-KJWHEZOQSA-N 2 0 251.418 1.541 10 0 CDAERP Cc1noc([C@@H]2CCC[N@H+](C[C@@H]3CC[C@H]([NH3+])C3)C2)n1 ZINC000903433060 625990846 /nfs/dbraw/zinc/99/08/46/625990846.db2.gz SMIVZKZFKOVDMP-UPJWGTAASA-N 2 0 264.373 1.685 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@H+](CCO)CCc2ccccc2)C1 ZINC000903438506 625992256 /nfs/dbraw/zinc/99/22/56/625992256.db2.gz WVSFLLZFKCIQRQ-JKSUJKDBSA-N 2 0 262.397 1.651 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000903460872 625995692 /nfs/dbraw/zinc/99/56/92/625995692.db2.gz KNCBYTQPNCZDIY-LYYZXLFJSA-N 3 0 281.444 1.203 10 0 CDAERP CCOC(=O)[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903455128 626001973 /nfs/dbraw/zinc/00/19/73/626001973.db2.gz QQPGANUIFFFKMA-UPJWGTAASA-N 2 0 254.374 1.117 10 0 CDAERP [NH3+]C[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H]1C(F)(F)F ZINC000903477900 626005513 /nfs/dbraw/zinc/00/55/13/626005513.db2.gz BGRBSECYESNLDG-VPOLOUISSA-N 3 0 265.323 1.183 10 0 CDAERP C[C@@H]1C[N@H+](Cc2ncnn2-c2ccccc2)C[C@H]1CC[NH3+] ZINC000903500207 626009077 /nfs/dbraw/zinc/00/90/77/626009077.db2.gz WBGDPTWKCFPETF-ZIAGYGMSSA-N 2 0 285.395 1.684 10 0 CDAERP C[C@@H]1C[N@H+](CCOCC(F)(F)C(F)F)C[C@H]1CC[NH3+] ZINC000903500191 626009259 /nfs/dbraw/zinc/00/92/59/626009259.db2.gz VDOQQNGZHDFNLZ-NXEZZACHSA-N 2 0 286.313 1.820 10 0 CDAERP CC(C)([NH3+])c1noc(CN[C@@H]2CC[NH2+]C23CCCC3)n1 ZINC000903487501 626010054 /nfs/dbraw/zinc/01/00/54/626010054.db2.gz DLOSGKRRRMOODO-SNVBAGLBSA-N 2 0 279.388 1.028 10 0 CDAERP C[C@H](C(=O)N(C)c1ccccc1)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903494358 626011384 /nfs/dbraw/zinc/01/13/84/626011384.db2.gz DQCTVRLOVHKFBM-RBSFLKMASA-N 2 0 289.423 1.955 10 0 CDAERP C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)OC1CCSCC1 ZINC000903781146 626091784 /nfs/dbraw/zinc/09/17/84/626091784.db2.gz OWZSQBPPWSUAPZ-UKRRQHHQSA-N 2 0 284.469 1.973 10 0 CDAERP C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)OC1CCSCC1 ZINC000903781144 626092041 /nfs/dbraw/zinc/09/20/41/626092041.db2.gz OWZSQBPPWSUAPZ-DZGCQCFKSA-N 2 0 284.469 1.973 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[NH+]2C[C@@H](C)C[C@H](C)C2)cnn1C ZINC000903872074 626126804 /nfs/dbraw/zinc/12/68/04/626126804.db2.gz CNUYQZLHGUBPQC-KCQAQPDRSA-N 2 0 278.444 1.824 10 0 CDAERP CC(C)[C@@H]([NH3+])CCN(C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903873301 626127300 /nfs/dbraw/zinc/12/73/00/626127300.db2.gz GQGUTPHVPDFXIJ-HIFRSBDPSA-N 2 0 294.447 1.008 10 0 CDAERP CC(C)[C@H]([NH3+])CCN(C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903873300 626127468 /nfs/dbraw/zinc/12/74/68/626127468.db2.gz GQGUTPHVPDFXIJ-DZGCQCFKSA-N 2 0 294.447 1.008 10 0 CDAERP C([NH2+]C1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1)C1CC1 ZINC000903874114 626127695 /nfs/dbraw/zinc/12/76/95/626127695.db2.gz SORQELHFJCMOCF-ZXFUBFMLSA-N 3 0 277.456 1.981 10 0 CDAERP C[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)C[C@@H]1CCCOC1 ZINC000903892324 626132472 /nfs/dbraw/zinc/13/24/72/626132472.db2.gz QRKLVUFRWUFMCY-KBPBESRZSA-N 2 0 293.415 1.061 10 0 CDAERP CC[C@@H](C)C[N@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903885148 626132969 /nfs/dbraw/zinc/13/29/69/626132969.db2.gz IQPKHASGTZVSPW-CHWSQXEVSA-N 2 0 265.405 1.681 10 0 CDAERP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000903898684 626137285 /nfs/dbraw/zinc/13/72/85/626137285.db2.gz NHDZPCVMMDWUKB-ARQSVGKCSA-N 2 0 282.453 1.723 10 0 CDAERP CC[C@@H]1C[C@@H](C)C[N@@H+]1C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903908403 626142410 /nfs/dbraw/zinc/14/24/10/626142410.db2.gz IGXXEYVWNUZAMD-IVMMDQJWSA-N 2 0 278.444 1.966 10 0 CDAERP [NH3+]CC[C@@H](NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(F)(F)F ZINC000903920927 626146870 /nfs/dbraw/zinc/14/68/70/626146870.db2.gz XVOZOTWCTSHEAN-HUAZRZQGSA-N 2 0 265.323 1.386 10 0 CDAERP CC(C)[C@H](C[NH3+])CN1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903984312 626173613 /nfs/dbraw/zinc/17/36/13/626173613.db2.gz TULJAVODZJWJBE-MXWKQRLJSA-N 2 0 267.339 1.429 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=[NH2+])NC[C@H]1CCCS1 ZINC000905040315 626379978 /nfs/dbraw/zinc/37/99/78/626379978.db2.gz AXZCCNPQIOZYQJ-CHWSQXEVSA-N 2 0 284.473 1.870 10 0 CDAERP C[C@H]1CCC[N@H+](CCNC(=[NH2+])NC[C@@H]2CCCS2)C1 ZINC000905041605 626380911 /nfs/dbraw/zinc/38/09/11/626380911.db2.gz LEXWEBXXRKZLIX-STQMWFEESA-N 2 0 284.473 1.728 10 0 CDAERP [NH2+]=C(NC[C@H]1CC[N@@H+](C2CC2)C1)NC[C@H]1CCCS1 ZINC000905041677 626380959 /nfs/dbraw/zinc/38/09/59/626380959.db2.gz JXKKFOJXUDPRLB-DGCLKSJQSA-N 2 0 282.457 1.480 10 0 CDAERP C[C@H]1[NH2+]CC[C@H]1c1nc(CC2CC[NH2+]CC2)no1 ZINC000905312937 626743791 /nfs/dbraw/zinc/74/37/91/626743791.db2.gz HBSHERJLVRVTHA-MWLCHTKSSA-N 2 0 250.346 1.077 10 0 CDAERP CC(C)C[C@@H]([NH3+])C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000906078954 627119150 /nfs/dbraw/zinc/11/91/50/627119150.db2.gz YESMUZQAAKVMJK-MCIONIFRSA-N 2 0 267.417 1.350 10 0 CDAERP CCN(C(=O)C12CC[NH+](CC1)C2)C1CC[NH+](C)CC1 ZINC000908913434 628413675 /nfs/dbraw/zinc/41/36/75/628413675.db2.gz LLNFJAFFKVZVQU-UHFFFAOYSA-N 2 0 265.401 1.025 10 0 CDAERP C[N@H+](CCC(=O)N1CC([NH+]2CCCC2)C1)C1CCCCC1 ZINC000912325387 629937314 /nfs/dbraw/zinc/93/73/14/629937314.db2.gz WRLMONAJMCSQKQ-UHFFFAOYSA-N 2 0 293.455 1.948 10 0 CDAERP CC[C@@H](C(=O)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1)[NH+](C)C ZINC000913269253 630425119 /nfs/dbraw/zinc/42/51/19/630425119.db2.gz ATDSRRJNLRIGFL-AEGPPILISA-N 2 0 267.417 1.127 10 0 CDAERP CC[NH+](CC)C[C@H]1CC[N@H+](CCCCCNC(C)=O)C1 ZINC000929747559 630725853 /nfs/dbraw/zinc/72/58/53/630725853.db2.gz FUDHUSLKCJUSEV-MRXNPFEDSA-N 2 0 283.460 1.957 10 0 CDAERP C1CC1[C@@H]1COC[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000914435910 631471100 /nfs/dbraw/zinc/47/11/00/631471100.db2.gz MGJTXAGYXOOCGZ-APIJFGDWSA-N 2 0 250.386 1.628 10 0 CDAERP CN(CC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)CC(F)(F)F ZINC000925477940 632723321 /nfs/dbraw/zinc/72/33/21/632723321.db2.gz KMHPBTWIZCCXSS-VHSXEESVSA-N 2 0 265.323 1.340 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000921704022 633215499 /nfs/dbraw/zinc/21/54/99/633215499.db2.gz GGZGLFWBHQWGJJ-WCXIOVBPSA-N 2 0 295.471 1.417 10 0 CDAERP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC000692962888 1158468197 /nfs/dbraw/zinc/46/81/97/1158468197.db2.gz SWGDXFVRENFUAH-HZPDHXFCSA-N 2 0 266.429 1.955 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)CC1CC(C)(C)C1 ZINC001480879477 1158565506 /nfs/dbraw/zinc/56/55/06/1158565506.db2.gz PQCMRRKPWOWQSO-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[NH2+]C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001670543531 1158633974 /nfs/dbraw/zinc/63/39/74/1158633974.db2.gz CONOBLWKUHZQAG-TZMCWYRMSA-N 2 0 267.417 1.223 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]C[C@H](C)CC ZINC001691339977 1159026043 /nfs/dbraw/zinc/02/60/43/1159026043.db2.gz QMNHQLKBWOWHMK-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001731632468 1159318040 /nfs/dbraw/zinc/31/80/40/1159318040.db2.gz IGJRJFIQUSNQIP-ZIAGYGMSSA-N 2 0 267.417 1.389 10 0 CDAERP CC[C@H](C)C[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001267415277 1159372550 /nfs/dbraw/zinc/37/25/50/1159372550.db2.gz FPBRNQTWMINMRI-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)[N@H+](CCO)CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001267505556 1159420441 /nfs/dbraw/zinc/42/04/41/1159420441.db2.gz BZCVVIGRFXEVGX-UHFFFAOYSA-N 2 0 299.459 1.070 10 0 CDAERP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)CC2CCCC2)C1 ZINC000300072923 1160116586 /nfs/dbraw/zinc/11/65/86/1160116586.db2.gz XRURHVBOKPGBQD-HUUCEWRRSA-N 2 0 254.418 1.859 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000251457558 1160206060 /nfs/dbraw/zinc/20/60/60/1160206060.db2.gz UHZJXGLZQWGLIK-MRVWCRGKSA-N 2 0 265.401 1.104 10 0 CDAERP CC[NH2+]CC[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001482903018 1160643805 /nfs/dbraw/zinc/64/38/05/1160643805.db2.gz WCIIHIYNYDDXIF-CYBMUJFWSA-N 2 0 255.406 1.367 10 0 CDAERP C[C@H](C[NH2+]CC1CC1)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001483172318 1160779079 /nfs/dbraw/zinc/77/90/79/1160779079.db2.gz MFECMXMFQYWCOG-ZIAGYGMSSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)C[NH+]1CCC(C)(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001483976170 1161243585 /nfs/dbraw/zinc/24/35/85/1161243585.db2.gz GFIKSNYDQOVUGU-UHFFFAOYSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CCC12CC(C1)C[NH2+]2 ZINC000870893084 1165229803 /nfs/dbraw/zinc/22/98/03/1165229803.db2.gz PEVQFXZXZWKAQY-PGOFDVKTSA-N 2 0 279.428 1.317 10 0 CDAERP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+]2CC)C1 ZINC001620492643 1165653858 /nfs/dbraw/zinc/65/38/58/1165653858.db2.gz VUDSIHZWQPTQQN-UONOGXRCSA-N 2 0 267.417 1.271 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NCCC[NH+]1CCCC1 ZINC001624428415 1165840768 /nfs/dbraw/zinc/84/07/68/1165840768.db2.gz HHDVQUCWNQYHFQ-CYBMUJFWSA-N 2 0 255.406 1.176 10 0 CDAERP C[NH+](C)[C@H]1CCCN(C(=O)C2([NH+](C)C)CCCC2)C1 ZINC001628064237 1166035451 /nfs/dbraw/zinc/03/54/51/1166035451.db2.gz LWYAYWJOTUKPFY-ZDUSSCGKSA-N 2 0 267.417 1.413 10 0 CDAERP [NH3+][C@H]1CCCC[C@@H]1C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC001645879007 1167548346 /nfs/dbraw/zinc/54/83/46/1167548346.db2.gz AIHIEZZXVWDARP-KBPBESRZSA-N 2 0 279.428 1.496 10 0 CDAERP Cc1ccc(NCCNC(=O)CC[N@@H+]2CC[C@@H](F)C2)nc1 ZINC001646261200 1167729858 /nfs/dbraw/zinc/72/98/58/1167729858.db2.gz UQKRGXZSTNOFTB-CYBMUJFWSA-N 2 0 294.374 1.352 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CCCF ZINC001568208199 1168096915 /nfs/dbraw/zinc/09/69/15/1168096915.db2.gz MOWQYABNFAKRJQ-ZIAGYGMSSA-N 2 0 287.423 1.562 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001567151126 1168596562 /nfs/dbraw/zinc/59/65/62/1168596562.db2.gz MQLPVMHXRLBJFC-AWEZNQCLSA-N 2 0 269.433 1.566 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001567713970 1168930595 /nfs/dbraw/zinc/93/05/95/1168930595.db2.gz CBDLGFUSWLNAES-CQSZACIVSA-N 2 0 267.417 1.319 10 0 CDAERP CC/C=C\CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCCC1 ZINC001567865965 1169029979 /nfs/dbraw/zinc/02/99/79/1169029979.db2.gz DYMXUZDPJRWYLC-HFZJXRFXSA-N 2 0 291.439 1.724 10 0 CDAERP CC(C)C[C@@H](C[NH2+]CCF)NC(=O)C[NH+]1CCCC1 ZINC001568338867 1169255553 /nfs/dbraw/zinc/25/55/53/1169255553.db2.gz IZJUFOXKJDRGTR-ZDUSSCGKSA-N 2 0 273.396 1.172 10 0 CDAERP C[C@H](C[NH2+]CC1=CCCCC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001569011630 1169594350 /nfs/dbraw/zinc/59/43/50/1169594350.db2.gz BXJDMCJMZIRNOI-UKRRQHHQSA-N 2 0 279.428 1.675 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]CCC1CCOCC1 ZINC001569039129 1169608374 /nfs/dbraw/zinc/60/83/74/1169608374.db2.gz XWJHFHVNZIIBLH-CQSZACIVSA-N 2 0 299.459 1.238 10 0 CDAERP CC(C)CCC[NH2+][C@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001571485727 1170451201 /nfs/dbraw/zinc/45/12/01/1170451201.db2.gz VIKKDNHHHZTUPV-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](C(=O)N(C)C)C1 ZINC001654911689 1171650862 /nfs/dbraw/zinc/65/08/62/1171650862.db2.gz CSMMQJLESNWKTC-AWEZNQCLSA-N 2 0 269.433 1.519 10 0 CDAERP OCCCCCC[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001660592050 1172239061 /nfs/dbraw/zinc/23/90/61/1172239061.db2.gz PHEVRKASDVSASY-UHFFFAOYSA-N 2 0 298.471 1.852 10 0 CDAERP CC(C)CC[NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001664111165 1172811222 /nfs/dbraw/zinc/81/12/22/1172811222.db2.gz CSMBBHLLNZUIFX-UHFFFAOYSA-N 2 0 283.460 1.955 10 0 CDAERP CO[C@H](C)C[NH2+]CCC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001666239976 1173120710 /nfs/dbraw/zinc/12/07/10/1173120710.db2.gz FBEZVNXWKXJAFW-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001666418046 1173134319 /nfs/dbraw/zinc/13/43/19/1173134319.db2.gz XBBZZKADFMLUNG-HUUCEWRRSA-N 2 0 281.444 1.850 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CCF ZINC001668083180 1173366575 /nfs/dbraw/zinc/36/65/75/1173366575.db2.gz XEZWNJGPOKCWEY-OLZOCXBDSA-N 2 0 273.396 1.315 10 0 CDAERP CC[C@H](C)C[NH2+]CCN(CC)C(=O)C1CC[NH+](C)CC1 ZINC001668542910 1173425872 /nfs/dbraw/zinc/42/58/72/1173425872.db2.gz ZJUQPJLVGJUXLB-AWEZNQCLSA-N 2 0 283.460 1.812 10 0 CDAERP CC(C)[C@H](C(=O)NC/C=C\C[NH2+]CCF)[NH+]1CCCC1 ZINC001669206797 1173516674 /nfs/dbraw/zinc/51/66/74/1173516674.db2.gz HRAVHOOQZXDQNR-VQTKUKTRSA-N 2 0 285.407 1.338 10 0 CDAERP C[C@H](C[NH2+]CCCF)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001669320462 1173536357 /nfs/dbraw/zinc/53/63/57/1173536357.db2.gz KKQCROBLGRXYPU-OLZOCXBDSA-N 2 0 273.396 1.315 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001675792762 1174149931 /nfs/dbraw/zinc/14/99/31/1174149931.db2.gz REQFIAWKBXYLLA-BZUAXINKSA-N 2 0 293.455 1.779 10 0 CDAERP C[NH+](CC(=O)NCCC[N@H+](C)CCF)CC(C)(C)C ZINC001689840873 1175281404 /nfs/dbraw/zinc/28/14/04/1175281404.db2.gz PLFWRHNPITXDMD-UHFFFAOYSA-N 2 0 275.412 1.372 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H](C[NH2+]CCCF)C2)C1 ZINC001690422825 1175467461 /nfs/dbraw/zinc/46/74/61/1175467461.db2.gz BHGZDBJOOHRGPX-LSDHHAIUSA-N 2 0 299.434 1.516 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]CC1CCC1 ZINC001690650916 1175536150 /nfs/dbraw/zinc/53/61/50/1175536150.db2.gz UKSMNYUZSDVEKU-GFCCVEGCSA-N 2 0 255.406 1.221 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCCF)C1 ZINC001691890131 1175646819 /nfs/dbraw/zinc/64/68/19/1175646819.db2.gz WAWMMQZMXSURJS-RRFJBIMHSA-N 2 0 299.434 1.705 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NCC2C[NH+](CCCCCF)C2)C1 ZINC001692335380 1175739648 /nfs/dbraw/zinc/73/96/48/1175739648.db2.gz KGZMZRSZIFVUPE-CQSZACIVSA-N 2 0 299.434 1.516 10 0 CDAERP CCOCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC[NH+](C)C ZINC001692382284 1175755458 /nfs/dbraw/zinc/75/54/58/1175755458.db2.gz HPEHPXCWMCCWKH-GJZGRUSLSA-N 2 0 297.443 1.040 10 0 CDAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]CC1CC1 ZINC001699099883 1176091924 /nfs/dbraw/zinc/09/19/24/1176091924.db2.gz NHBDXLIFOPBWBF-DZGCQCFKSA-N 2 0 281.444 1.754 10 0 CDAERP C[C@H](CC[NH2+]CCCF)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001699148596 1176112578 /nfs/dbraw/zinc/11/25/78/1176112578.db2.gz VCGBWOHERSZRLX-OLZOCXBDSA-N 2 0 273.396 1.172 10 0 CDAERP CCN(CC[NH2+]CCC(C)C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001699214412 1176141933 /nfs/dbraw/zinc/14/19/33/1176141933.db2.gz LJPPEXAEKDXBJH-OAHLLOKOSA-N 2 0 283.460 1.812 10 0 CDAERP CCN(CC[NH2+]CC[C@@H](C)F)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001699213747 1176142193 /nfs/dbraw/zinc/14/21/93/1176142193.db2.gz AMKNPJJWEIRUOA-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)[C@@H](C(=O)NC/C=C\C[NH2+]C/C=C\Cl)[NH+](C)C ZINC001699269798 1176189334 /nfs/dbraw/zinc/18/93/34/1176189334.db2.gz GOALPPNBCQIWFL-SHECEJOQSA-N 2 0 287.835 1.587 10 0 CDAERP CCCC[NH2+]C[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001699403555 1176371010 /nfs/dbraw/zinc/37/10/10/1176371010.db2.gz BWUXVGNIYITAMM-GXTWGEPZSA-N 2 0 267.417 1.223 10 0 CDAERP CCC[NH2+]C[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001699422246 1176386728 /nfs/dbraw/zinc/38/67/28/1176386728.db2.gz YROODJBWVLANLE-KBPBESRZSA-N 2 0 269.433 1.755 10 0 CDAERP CCC[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001699963322 1176694021 /nfs/dbraw/zinc/69/40/21/1176694021.db2.gz MQWQNSCHBZQDHA-KGLIPLIRSA-N 2 0 269.433 1.422 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001699966513 1176700954 /nfs/dbraw/zinc/70/09/54/1176700954.db2.gz BWISTKYJTWBDBR-KGLIPLIRSA-N 2 0 269.433 1.278 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH+](C)CC1CC1 ZINC001700195247 1176795269 /nfs/dbraw/zinc/79/52/69/1176795269.db2.gz KMQHOHVFZCGCTL-UHFFFAOYSA-N 2 0 269.433 1.517 10 0 CDAERP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CC[C@H](C)F ZINC001700767291 1177121991 /nfs/dbraw/zinc/12/19/91/1177121991.db2.gz KUIYXKJQBBVUDV-NWDGAFQWSA-N 2 0 261.385 1.123 10 0 CDAERP CC/C=C\CC[NH2+][C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001700793857 1177135937 /nfs/dbraw/zinc/13/59/37/1177135937.db2.gz BKBCZMDGFUHFJD-YVACAVLKSA-N 2 0 293.455 1.875 10 0 CDAERP COCCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001700854463 1177166260 /nfs/dbraw/zinc/16/62/60/1177166260.db2.gz SKAWURCMNDFKRE-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP CC[C@@H](C(=O)NCC1=CC[N@H+](CC[C@@H](C)F)CC1)[NH+](C)C ZINC001701059031 1177260696 /nfs/dbraw/zinc/26/06/96/1177260696.db2.gz OVWNPQIVJYLTNG-HIFRSBDPSA-N 2 0 299.434 1.823 10 0 CDAERP C[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)CC2CCCC2)C1 ZINC000232130521 1178185197 /nfs/dbraw/zinc/18/51/97/1178185197.db2.gz XRURHVBOKPGBQD-GJZGRUSLSA-N 2 0 254.418 1.859 10 0 CDAERP CC[N@H+](C)CCCNC(=O)c1sccc1C[NH+](C)C ZINC001712949895 1178262623 /nfs/dbraw/zinc/26/26/23/1178262623.db2.gz LFLFWOFQMCHFKR-UHFFFAOYSA-N 2 0 283.441 1.881 10 0 CDAERP COCC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)C1CC1 ZINC001713038536 1178325215 /nfs/dbraw/zinc/32/52/15/1178325215.db2.gz HUJQXUVMENSOQI-OAHLLOKOSA-N 2 0 297.443 1.088 10 0 CDAERP CC/C=C/CC[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001713319734 1178494122 /nfs/dbraw/zinc/49/41/22/1178494122.db2.gz HAXIQSSXEVETFR-XEVLESSRSA-N 2 0 281.444 1.921 10 0 CDAERP CN(CC[NH2+]CCC1CC1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001713605822 1178678025 /nfs/dbraw/zinc/67/80/25/1178678025.db2.gz OSMABMFAVBMXJK-HZPDHXFCSA-N 2 0 293.455 1.851 10 0 CDAERP CCC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001713986723 1178909655 /nfs/dbraw/zinc/90/96/55/1178909655.db2.gz OMXWCINCNGWYAF-ILNYKDOHSA-N 2 0 293.455 1.875 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001714018304 1178929990 /nfs/dbraw/zinc/92/99/90/1178929990.db2.gz PBKKOGHBYNTEJS-MELADBBJSA-N 2 0 265.401 1.141 10 0 CDAERP CC(C)[NH2+][C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001714244259 1179042694 /nfs/dbraw/zinc/04/26/94/1179042694.db2.gz QPHQDLXVYCHRBB-CHWSQXEVSA-N 2 0 255.406 1.364 10 0 CDAERP O=C(CCC[NH+]1CCCC1)N1CC[C@@H](C[NH2+]CCF)C1 ZINC001714386401 1179117043 /nfs/dbraw/zinc/11/70/43/1179117043.db2.gz WJAPMMOJEORACP-AWEZNQCLSA-N 2 0 285.407 1.270 10 0 CDAERP Cc1c(C(=O)N(C)CC[NH2+]CC(C)C)ccc2c[nH+]cn21 ZINC001714727715 1179361680 /nfs/dbraw/zinc/36/16/80/1179361680.db2.gz NNWSPAPYXYMFGW-UHFFFAOYSA-N 2 0 288.395 1.960 10 0 CDAERP CC(C)c1nccn1CC(=O)N(C)CC[NH2+]CC[C@@H](C)F ZINC001714766595 1179387105 /nfs/dbraw/zinc/38/71/05/1179387105.db2.gz XVWJBWDNTNGLQJ-CYBMUJFWSA-N 2 0 298.406 1.803 10 0 CDAERP C[NH+](C)CCC(=O)NC1C[NH+](CCC2CCCC2)C1 ZINC001714943017 1179469510 /nfs/dbraw/zinc/46/95/10/1179469510.db2.gz CXOMKVKANAVNEK-UHFFFAOYSA-N 2 0 267.417 1.319 10 0 CDAERP CCC[N@H+](C)CC(=O)NC1CN(CC=C(C)C)C1 ZINC001714955799 1179475284 /nfs/dbraw/zinc/47/52/84/1179475284.db2.gz MEJLXNWLNLDTIL-UHFFFAOYSA-N 2 0 253.390 1.095 10 0 CDAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CCCF ZINC001715233424 1179589798 /nfs/dbraw/zinc/58/97/98/1179589798.db2.gz ZYGDFHNUQSJQNE-UONOGXRCSA-N 2 0 287.423 1.561 10 0 CDAERP CCC[NH2+]C[C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001715257777 1179599180 /nfs/dbraw/zinc/59/91/80/1179599180.db2.gz RBMQEQASZMJQDC-CYBMUJFWSA-N 2 0 269.433 1.470 10 0 CDAERP CCCC[NH2+]C[C@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001715359367 1179641624 /nfs/dbraw/zinc/64/16/24/1179641624.db2.gz XPDPGCMZLPITNQ-ZDUSSCGKSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@@H](C[NH2+]CCCF)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001715361402 1179642726 /nfs/dbraw/zinc/64/27/26/1179642726.db2.gz VOLQOINYUAXCLS-LBPRGKRZSA-N 2 0 273.396 1.124 10 0 CDAERP CC[NH2+]CC[C@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001715447261 1179668937 /nfs/dbraw/zinc/66/89/37/1179668937.db2.gz QOAMIIYLUBNIFG-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP CC(C)[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001715642971 1179750502 /nfs/dbraw/zinc/75/05/02/1179750502.db2.gz BKMPQOGRPOMBAU-KGLIPLIRSA-N 2 0 269.433 1.752 10 0 CDAERP C[C@@H](CC[NH2+]CCC1CC1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001715683273 1179763201 /nfs/dbraw/zinc/76/32/01/1179763201.db2.gz NQISHBYRKGRMBG-KBPBESRZSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CCCF ZINC001715692396 1179766637 /nfs/dbraw/zinc/76/66/37/1179766637.db2.gz QXRHNVQYVVPQQG-ZDUSSCGKSA-N 2 0 285.407 1.172 10 0 CDAERP CC[NH2+][C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C(C)C ZINC001715716585 1179774668 /nfs/dbraw/zinc/77/46/68/1179774668.db2.gz DBTDTDMZBBAMFW-CYBMUJFWSA-N 2 0 269.433 1.611 10 0 CDAERP CC[C@H](F)C[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001715833060 1179856902 /nfs/dbraw/zinc/85/69/02/1179856902.db2.gz GVYOIZVMNCHUDB-MEWZEZIVSA-N 2 0 285.407 1.481 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC/C=C\C[NH2+]CC2CC2)C1 ZINC001716333777 1180158707 /nfs/dbraw/zinc/15/87/07/1180158707.db2.gz DXRQSNZEORDYKD-MJSXRHKHSA-N 2 0 293.455 1.780 10 0 CDAERP CCCC[NH2+]C/C=C/CNC(=O)C[NH+]1CCCC1 ZINC001716376333 1180173923 /nfs/dbraw/zinc/17/39/23/1180173923.db2.gz XDCQMYDMLIDPAT-SNAWJCMRSA-N 2 0 253.390 1.144 10 0 CDAERP C[C@@H](C[N@H+](C)CC1CCC1)NC(=O)C[NH+]1CCCC1 ZINC001716505560 1180259453 /nfs/dbraw/zinc/25/94/53/1180259453.db2.gz JZKMKHYKYSEXSS-ZDUSSCGKSA-N 2 0 267.417 1.319 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CCF ZINC001716521728 1180265173 /nfs/dbraw/zinc/26/51/73/1180265173.db2.gz LLPMSIYTAIDOFI-KGLIPLIRSA-N 2 0 287.423 1.562 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N[C@@]2(C)CC[NH+](CCCCCF)C2)C1 ZINC001716852949 1180441737 /nfs/dbraw/zinc/44/17/37/1180441737.db2.gz QNSOJWPHSYVDAC-HOCLYGCPSA-N 2 0 299.434 1.659 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@@H](CC[NH2+]C/C=C\Cl)C1 ZINC001717098081 1180530431 /nfs/dbraw/zinc/53/04/31/1180530431.db2.gz ZTTMKSYPSOAPKV-RBWDJNPFSA-N 2 0 287.835 1.519 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCF)C1 ZINC001717641298 1180769097 /nfs/dbraw/zinc/76/90/97/1180769097.db2.gz DCTRSCJEMGNIBC-MGPQQGTHSA-N 2 0 285.407 1.315 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1CC)C1CC1 ZINC001723356803 1181543413 /nfs/dbraw/zinc/54/34/13/1181543413.db2.gz TWXMVHSVXUOPMS-KGLIPLIRSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)=CC[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001723553844 1181585678 /nfs/dbraw/zinc/58/56/78/1181585678.db2.gz IAMLHAIGLAXKMB-UHFFFAOYSA-N 2 0 279.428 1.533 10 0 CDAERP CC(C)[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001724191358 1181651498 /nfs/dbraw/zinc/65/14/98/1181651498.db2.gz VDGUDMWQDYNBRJ-AWEZNQCLSA-N 2 0 253.390 1.071 10 0 CDAERP CCC[NH2+]C[C@@]1(C)CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001724239898 1181656068 /nfs/dbraw/zinc/65/60/68/1181656068.db2.gz OJHIXHLGNRNRCV-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](CC2CC2)CC1 ZINC001724839886 1181771477 /nfs/dbraw/zinc/77/14/77/1181771477.db2.gz BZERSBUKNOIYKG-CQSZACIVSA-N 2 0 267.417 1.319 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC1CCC1 ZINC001725125101 1181873640 /nfs/dbraw/zinc/87/36/40/1181873640.db2.gz PYDROIKWGPNNES-STQMWFEESA-N 2 0 269.433 1.611 10 0 CDAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[N@H+](C)CCCCCF ZINC001725190554 1181915280 /nfs/dbraw/zinc/91/52/80/1181915280.db2.gz ZZAWJARTKQJCHZ-CQSZACIVSA-N 2 0 299.434 1.659 10 0 CDAERP C[C@@H](CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC1CC1 ZINC001725501839 1182027904 /nfs/dbraw/zinc/02/79/04/1182027904.db2.gz BTEBJXUJFJZVDF-OLZOCXBDSA-N 2 0 267.417 1.175 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001725663507 1182090679 /nfs/dbraw/zinc/09/06/79/1182090679.db2.gz SZPVHCUDMJOQBZ-HOTGVXAUSA-N 2 0 293.455 1.923 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000300407710 1182223103 /nfs/dbraw/zinc/22/31/03/1182223103.db2.gz RVBOPHFCPZNVGD-RWMBFGLXSA-N 2 0 255.406 1.350 10 0 CDAERP CCC[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001731250066 1182275435 /nfs/dbraw/zinc/27/54/35/1182275435.db2.gz RECFINXGYSCFPD-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)CC1CC(C)C1 ZINC001731322967 1182316351 /nfs/dbraw/zinc/31/63/51/1182316351.db2.gz UXXLQDLXNAMHKN-GPANFISMSA-N 2 0 295.471 1.812 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCCF)C2)C1 ZINC001731490763 1182417465 /nfs/dbraw/zinc/41/74/65/1182417465.db2.gz SCFDXHFOXICLKP-APIJFGDWSA-N 2 0 299.434 1.703 10 0 CDAERP C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]CC1CC1 ZINC001731600250 1182472578 /nfs/dbraw/zinc/47/25/78/1182472578.db2.gz UMXGDNAHUHJJQB-GXTWGEPZSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC1=CCCCC1 ZINC001731618069 1182482388 /nfs/dbraw/zinc/48/23/88/1182482388.db2.gz NNIIMWBQSKDKKV-LSDHHAIUSA-N 2 0 293.455 1.923 10 0 CDAERP CC(C)=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001731718614 1182530210 /nfs/dbraw/zinc/53/02/10/1182530210.db2.gz DNEBYMOGCYVYOO-HZPDHXFCSA-N 2 0 293.455 1.827 10 0 CDAERP CN(CC[NH2+]CC1CCC1)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001731973492 1182709233 /nfs/dbraw/zinc/70/92/33/1182709233.db2.gz BMPAKMHDHOKWEQ-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP CC[NH2+]CC[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001732513733 1182994012 /nfs/dbraw/zinc/99/40/12/1182994012.db2.gz GKOSZQOQLAVXMP-HUUCEWRRSA-N 2 0 281.444 1.709 10 0 CDAERP CCOCC[N@H+](C)CCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001732597087 1183038805 /nfs/dbraw/zinc/03/88/05/1183038805.db2.gz GNTRRFSWZXFKIR-GJZGRUSLSA-N 2 0 299.459 1.286 10 0 CDAERP Cc1cncc(C[NH2+]C/C=C/CNC(=O)CC[NH+](C)C)c1 ZINC001732893506 1183173900 /nfs/dbraw/zinc/17/39/00/1183173900.db2.gz FPYFHRJKZIACRS-SNAWJCMRSA-N 2 0 290.411 1.104 10 0 CDAERP C[NH+](C)CCC(=O)NC/C=C\C[NH2+]CC1CC(C)(C)C1 ZINC001732893134 1183174103 /nfs/dbraw/zinc/17/41/03/1183174103.db2.gz CYQDENCGKOFPLD-WAYWQWQTSA-N 2 0 281.444 1.636 10 0 CDAERP CCC[NH2+]C/C=C\CNC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001732909379 1183180875 /nfs/dbraw/zinc/18/08/75/1183180875.db2.gz MSPRDYQOPXPAPG-RXNFCKPNSA-N 2 0 264.373 1.260 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001733553405 1183464845 /nfs/dbraw/zinc/46/48/45/1183464845.db2.gz QNUODGMXUCOURW-CVEARBPZSA-N 2 0 295.471 1.979 10 0 CDAERP CC(C)C[NH2+]CC[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001733662930 1183491654 /nfs/dbraw/zinc/49/16/54/1183491654.db2.gz TXYOSKVSGCOYOA-OAHLLOKOSA-N 2 0 295.471 1.812 10 0 CDAERP CC/C=C\CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001734029882 1183622474 /nfs/dbraw/zinc/62/24/74/1183622474.db2.gz JIAJNPXCOVWUKP-WJNHHXLDSA-N 2 0 281.444 1.873 10 0 CDAERP O=C(C[NH+]1CCCC1)NC1(C[NH2+]CCCF)CCCCC1 ZINC001734092309 1183653669 /nfs/dbraw/zinc/65/36/69/1183653669.db2.gz JDEHALFEDSZHSG-UHFFFAOYSA-N 2 0 299.434 1.851 10 0 CDAERP CCCC[C@H](C[NH2+]CCF)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001734093535 1183655022 /nfs/dbraw/zinc/65/50/22/1183655022.db2.gz LXUBYCHXJCWNNC-HUUCEWRRSA-N 2 0 299.434 1.562 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@H]2CC[C@@H](C[NH2+]CCF)C2)CC1 ZINC001734481590 1183795207 /nfs/dbraw/zinc/79/52/07/1183795207.db2.gz QEIHBUIBZVQRBC-OLZOCXBDSA-N 2 0 285.407 1.172 10 0 CDAERP CCCC[NH2+]C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001734483883 1183796714 /nfs/dbraw/zinc/79/67/14/1183796714.db2.gz XEVMDZHKHMMMNC-KGLIPLIRSA-N 2 0 269.433 1.613 10 0 CDAERP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000438914600 1186801791 /nfs/dbraw/zinc/80/17/91/1186801791.db2.gz VCWSQXIGVOROKG-ABHRYQDASA-N 2 0 279.428 1.316 10 0 CDAERP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1C1CCCC1 ZINC001772468629 1187246349 /nfs/dbraw/zinc/24/63/49/1187246349.db2.gz PTEVFJSGSCZKQS-CQSZACIVSA-N 2 0 293.455 1.804 10 0 CDAERP CC[NH+](CC)C1CCN(c2cc[nH+]cc2CO)CC1 ZINC000384559059 1187268130 /nfs/dbraw/zinc/26/81/30/1187268130.db2.gz OULGJNYYUPFNQG-UHFFFAOYSA-N 2 0 263.385 1.885 10 0 CDAERP Cc1nnc(CC[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)s1 ZINC000858165267 736355382 /nfs/dbraw/zinc/35/53/82/736355382.db2.gz QOJOUDMREBKWNK-LLVKDONJSA-N 2 0 268.430 1.851 10 0 CDAERP [NH3+][C@H]1C[C@H]([NH2+]CCNC(=O)c2ccccc2)C12CCC2 ZINC000925572545 738425029 /nfs/dbraw/zinc/42/50/29/738425029.db2.gz JMOHLPLJADKBKR-KBPBESRZSA-N 2 0 273.380 1.276 10 0 CDAERP Cn1cc(C[NH2+]CCCC[NH+]2CCN(C)CC2)c(Cl)n1 ZINC000856765216 736495876 /nfs/dbraw/zinc/49/58/76/736495876.db2.gz COEOBIUYHHGXSF-UHFFFAOYSA-N 2 0 299.850 1.191 10 0 CDAERP C[C@H]1COC[C@H]1[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000926634175 736495908 /nfs/dbraw/zinc/49/59/08/736495908.db2.gz FEPVUBTUJIQKAR-PQEBFOHHSA-N 2 0 274.408 1.956 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)C=C1CC[NH2+]CC1 ZINC000852864751 736544634 /nfs/dbraw/zinc/54/46/34/736544634.db2.gz GXDCZFJIWHYKRK-GFCCVEGCSA-N 2 0 253.390 1.143 10 0 CDAERP CC(C)COC[C@@H](O)C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000715543516 736583312 /nfs/dbraw/zinc/58/33/12/736583312.db2.gz OMFHURNLFJCIOC-PCKAHOCUSA-N 2 0 286.460 1.872 10 0 CDAERP CCCCNC(=O)C1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000923302857 736590119 /nfs/dbraw/zinc/59/01/19/736590119.db2.gz FMQKYBZLDTVIIN-UHFFFAOYSA-N 2 0 281.444 1.757 10 0 CDAERP C([C@@H]1C[C@H]2CCC[C@H]2O1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516269 736602058 /nfs/dbraw/zinc/60/20/58/736602058.db2.gz XKAZKMVYVRVQDZ-QKGCVVFFSA-N 2 0 250.386 1.485 10 0 CDAERP CSCC1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923448396 736602385 /nfs/dbraw/zinc/60/23/85/736602385.db2.gz TVMQCWFZZHCCGZ-ZDUSSCGKSA-N 2 0 270.442 1.440 10 0 CDAERP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000872145673 736670807 /nfs/dbraw/zinc/67/08/07/736670807.db2.gz WFYAYMIEKDRTMM-RQJABVFESA-N 2 0 252.402 1.922 10 0 CDAERP CC(C)CC[C@H](O)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000923411334 736784650 /nfs/dbraw/zinc/78/46/50/736784650.db2.gz RGHDQMBAKKJDDU-DLBZAZTESA-N 2 0 298.471 1.874 10 0 CDAERP CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925677831 736704545 /nfs/dbraw/zinc/70/45/45/736704545.db2.gz QSPAJDYQIZSHOI-YNEHKIRRSA-N 2 0 267.417 1.398 10 0 CDAERP CC(F)(F)CCC[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000718588192 736918180 /nfs/dbraw/zinc/91/81/80/736918180.db2.gz BLKUUMWNKDMNKT-LBPRGKRZSA-N 2 0 261.360 1.401 10 0 CDAERP COCC[N@H+](C)CCC[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000921522997 737003195 /nfs/dbraw/zinc/00/31/95/737003195.db2.gz CWSCBXCYJHXJIZ-ARFHVFGLSA-N 2 0 284.444 1.750 10 0 CDAERP CC[C@H](C[C@](C)(O)CC)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000926356368 737036001 /nfs/dbraw/zinc/03/60/01/737036001.db2.gz HPLUFKAWDBHQHY-NVXWUHKLSA-N 2 0 299.503 1.932 10 0 CDAERP CCS(=O)(=O)c1ccccc1CC[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000925835593 737037830 /nfs/dbraw/zinc/03/78/30/737037830.db2.gz ULUIRTFTKGQLRV-LBPRGKRZSA-N 2 0 296.436 1.220 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CC(=O)N(CC2CC2)C1 ZINC000716815146 737043226 /nfs/dbraw/zinc/04/32/26/737043226.db2.gz NSJPOCKFMYFITI-WCQYABFASA-N 2 0 253.390 1.104 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000925876270 737087470 /nfs/dbraw/zinc/08/74/70/737087470.db2.gz SDLQAJBJCMJQNZ-YVSFHVDLSA-N 3 0 297.487 1.840 10 0 CDAERP CC[N@@H+](CCC(N)=O)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923433777 737205464 /nfs/dbraw/zinc/20/54/64/737205464.db2.gz XQVWLSSKZBQFIV-YHWZYXNKSA-N 2 0 253.390 1.104 10 0 CDAERP O[C@@H](C[NH2+][C@H](C1CC1)C1CCOCC1)C[NH+]1CCCC1 ZINC000924758327 737251240 /nfs/dbraw/zinc/25/12/40/737251240.db2.gz URMBGUHFGHHSRK-JKSUJKDBSA-N 2 0 282.428 1.238 10 0 CDAERP CC(C)COC[C@@H](O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000923364451 737253306 /nfs/dbraw/zinc/25/33/06/737253306.db2.gz ADVFZPMXRSFWJZ-GJZGRUSLSA-N 2 0 270.417 1.095 10 0 CDAERP FC1(F)C[C@H]1OCC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000701772200 737340701 /nfs/dbraw/zinc/34/07/01/737340701.db2.gz MSTXSSSGLKMRHK-LLVKDONJSA-N 2 0 260.328 1.486 10 0 CDAERP C[NH+]1CCC2(CCC[N@H+](C[C@@H]3C[C@H]4COC[C@H]4O3)C2)CC1 ZINC000930309986 737287954 /nfs/dbraw/zinc/28/79/54/737287954.db2.gz PTRCWOWDUJMDKI-HRCADAONSA-N 2 0 294.439 1.598 10 0 CDAERP CCOC[C@@H](O)C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923509201 737591794 /nfs/dbraw/zinc/59/17/94/737591794.db2.gz YMYATHDBJQXKHI-HOCLYGCPSA-N 2 0 284.444 1.486 10 0 CDAERP NC(=O)[C@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925702162 737595644 /nfs/dbraw/zinc/59/56/44/737595644.db2.gz MKMWNSSCQGHRGJ-RQJABVFESA-N 2 0 265.401 1.008 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)N2C[C@H](C)C[C@@H](C)C2)C[C@H]1CC[NH3+] ZINC000723887095 737600982 /nfs/dbraw/zinc/60/09/82/737600982.db2.gz QKDHLKALQPKZOY-KBUPBQIOSA-N 2 0 281.444 1.408 10 0 CDAERP Cc1ccc([C@@H](C)[NH2+]CCN2CCC([NH3+])CC2)c(C)n1 ZINC000925814737 737620588 /nfs/dbraw/zinc/62/05/88/737620588.db2.gz LRPJOCRVABTKRQ-CYBMUJFWSA-N 2 0 276.428 1.772 10 0 CDAERP C[NH+](C)CCC[C@@H]1C[N@H+](CC2(O)CCCCC2)CCO1 ZINC000852760540 737624783 /nfs/dbraw/zinc/62/47/83/737624783.db2.gz HWWCEXDBTZZHBQ-OAHLLOKOSA-N 2 0 284.444 1.724 10 0 CDAERP CC(C)(C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)N1CCOCC1 ZINC000925501309 737660060 /nfs/dbraw/zinc/66/00/60/737660060.db2.gz BULPSCDJJLKLCZ-ZIAGYGMSSA-N 2 0 283.460 1.593 10 0 CDAERP CC1(C)[C@H](O)CC[NH+]1C/C=C/C[N@H+]1CC[C@@H](O)C1(C)C ZINC000812865827 738500200 /nfs/dbraw/zinc/50/02/00/738500200.db2.gz TVYSQHFYRQRUPX-QAMKJQMISA-N 2 0 282.428 1.233 10 0 CDAERP CC[N@H+](CCNC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1)C(C)C ZINC000861570536 737780235 /nfs/dbraw/zinc/78/02/35/737780235.db2.gz UVOSEOWFRMMMCZ-QWHCGFSZSA-N 2 0 270.421 1.156 10 0 CDAERP CC(C)(C)N1C[C@@H]([NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1=O ZINC000925575266 738513077 /nfs/dbraw/zinc/51/30/77/738513077.db2.gz YZIMATOITHBCIG-AGIUHOORSA-N 2 0 281.444 1.881 10 0 CDAERP CC[N@H+](CCN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1)C1CC1 ZINC000925556881 737816765 /nfs/dbraw/zinc/81/67/65/737816765.db2.gz LQXNMSJAVIVYIY-OLZOCXBDSA-N 2 0 253.434 1.966 10 0 CDAERP C[C@H](NC[C@H](O)C[NH+]1CCCC1)c1ccnn1C1CCC1 ZINC000924755384 737872430 /nfs/dbraw/zinc/87/24/30/737872430.db2.gz IQDURMWRBRBUGB-ZFWWWQNUSA-N 2 0 292.427 1.715 10 0 CDAERP C[C@H](C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)CN1CCOCC1 ZINC000925507640 737818440 /nfs/dbraw/zinc/81/84/40/737818440.db2.gz BOQWEFVSOWFBFU-WCVJEAGWSA-N 2 0 295.471 1.321 10 0 CDAERP Cc1nc([C@@H](C)[NH2+]CCN2CCC([NH3+])CC2)cs1 ZINC000925817167 737849036 /nfs/dbraw/zinc/84/90/36/737849036.db2.gz NZHYFWZZKSAHLE-SNVBAGLBSA-N 2 0 268.430 1.525 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@H]2CCCc3c(O)cccc32)CC1 ZINC000925817075 737864976 /nfs/dbraw/zinc/86/49/76/737864976.db2.gz MTMZHFVDBVJZCT-INIZCTEOSA-N 2 0 289.423 1.782 10 0 CDAERP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925776145 737880351 /nfs/dbraw/zinc/88/03/51/737880351.db2.gz JGXCEWBCACRWME-QWHCGFSZSA-N 2 0 286.370 1.742 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCOC[C@H]2CCCO2)C1 ZINC000925497584 737934769 /nfs/dbraw/zinc/93/47/69/737934769.db2.gz IBFKUSSZXRCIFC-MGPQQGTHSA-N 2 0 270.417 1.678 10 0 CDAERP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)[C@H]1CCCOC1 ZINC000723973161 737935149 /nfs/dbraw/zinc/93/51/49/737935149.db2.gz DHSOOIHHEDTAND-XHSDSOJGSA-N 2 0 284.444 1.628 10 0 CDAERP Cc1cccc(OC[C@H](O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000923411699 737942174 /nfs/dbraw/zinc/94/21/74/737942174.db2.gz QZQROBDICPBDOJ-RBSFLKMASA-N 2 0 278.396 1.261 10 0 CDAERP c1[nH+]cn2ccc(-c3noc(CC[NH2+]C4CC4)n3)cc12 ZINC000848630894 737942510 /nfs/dbraw/zinc/94/25/10/737942510.db2.gz ALWZRZSRMHIDKH-UHFFFAOYSA-N 2 0 269.308 1.679 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](O)Cc2ccccc2)C12CCC2 ZINC000925498397 737942928 /nfs/dbraw/zinc/94/29/28/737942928.db2.gz DWGOUTGRRYOSIB-RRFJBIMHSA-N 2 0 260.381 1.450 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CC(=O)NC2CCCC2)C1 ZINC000925594420 738007235 /nfs/dbraw/zinc/00/72/35/738007235.db2.gz BWCIHJZXHQAROT-WCQYABFASA-N 2 0 267.417 1.541 10 0 CDAERP CC1(C)CO[C@H](C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)C1 ZINC000923447050 738098802 /nfs/dbraw/zinc/09/88/02/738098802.db2.gz PHMBZEXWPXXZNQ-KGLIPLIRSA-N 2 0 282.428 1.631 10 0 CDAERP CN1CCC[C@H]([NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)C1=O ZINC000925530976 738311324 /nfs/dbraw/zinc/31/13/24/738311324.db2.gz NIVRRZGKWXUGSP-TUAOUCFPSA-N 2 0 253.390 1.103 10 0 CDAERP C[NH+](C)CCC1CC[NH+](C[C@@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000844278085 738376196 /nfs/dbraw/zinc/37/61/96/738376196.db2.gz FMLZCMSFSBYUIG-OAHLLOKOSA-N 2 0 295.427 1.633 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(C(=O)C(C)(C)[C@H]([NH3+])C(C)C)C1 ZINC000713009446 738381627 /nfs/dbraw/zinc/38/16/27/738381627.db2.gz POFUDJWWLAURGA-UONOGXRCSA-N 2 0 283.460 1.939 10 0 CDAERP C[C@H]1C[C@H]1NC(=[NH2+])NCCC[N@@H+]1CCc2ccccc2C1 ZINC000864451171 738384952 /nfs/dbraw/zinc/38/49/52/738384952.db2.gz GBFXYNFIGLAGCD-XJKSGUPXSA-N 2 0 286.423 1.957 10 0 CDAERP C([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724623992 738557750 /nfs/dbraw/zinc/55/77/50/738557750.db2.gz ZQLADYPZSHJSSA-ZSAUSMIDSA-N 2 0 266.385 1.007 10 0 CDAERP C[NH+]1CCC(NC(=S)N2CC[N@H+](C)C(C)(C)CC2)CC1 ZINC000865258042 738592921 /nfs/dbraw/zinc/59/29/21/738592921.db2.gz QNZFJAOJKNHYCF-UHFFFAOYSA-N 2 0 298.500 1.371 10 0 CDAERP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cnc3c(cnn3C)c2)C1 ZINC000865428401 738641562 /nfs/dbraw/zinc/64/15/62/738641562.db2.gz TXYGORFNXLVMSL-CYBMUJFWSA-N 2 0 287.411 1.790 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C=C2CC[NH2+]CC2)C1 ZINC000852859349 738649866 /nfs/dbraw/zinc/64/98/66/738649866.db2.gz RSWJVFFURVIZII-GASCZTMLSA-N 2 0 293.455 1.780 10 0 CDAERP CNC(=O)c1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923496111 738658675 /nfs/dbraw/zinc/65/86/75/738658675.db2.gz GRQYHVIMKSEYCK-DOMZBBRYSA-N 2 0 275.396 1.463 10 0 CDAERP NC(=O)C[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCC1 ZINC000719270999 738719675 /nfs/dbraw/zinc/71/96/75/738719675.db2.gz PFJSNZFLEVPTKA-YHWZYXNKSA-N 2 0 265.401 1.247 10 0 CDAERP C[N@H+](CCCCCC[NH3+])[C@H](C(N)=O)c1ccc(F)cc1 ZINC000872154794 738741729 /nfs/dbraw/zinc/74/17/29/738741729.db2.gz AOOKMQSGOJRUSZ-AWEZNQCLSA-N 2 0 281.375 1.803 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000715573391 738786081 /nfs/dbraw/zinc/78/60/81/738786081.db2.gz VFXINFDHRUOROG-NHIYQJMISA-N 2 0 279.428 1.365 10 0 CDAERP CC(C)CC[C@@H](O)C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923446130 738808126 /nfs/dbraw/zinc/80/81/26/738808126.db2.gz ZZYSMFZCVPJSKB-HUUCEWRRSA-N 2 0 284.444 1.613 10 0 CDAERP Cc1cc(CONC(=[NH2+])[C@@H]2CN(C(C)C)CCO2)no1 ZINC000779650670 738819439 /nfs/dbraw/zinc/81/94/39/738819439.db2.gz DJRROAIDZMCZJB-LBPRGKRZSA-N 2 0 282.344 1.091 10 0 CDAERP C[C@H]1[C@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)CC[N@@H+]1C ZINC000922291644 738823626 /nfs/dbraw/zinc/82/36/26/738823626.db2.gz FISHVNYXYTWWJM-VXGQWTEUSA-N 2 0 294.443 1.395 10 0 CDAERP C[N@@H+]1CC[C@H](NC[C@]23CCC[C@H]2[NH2+]CC3)[C@H]2CCC[C@H]21 ZINC000925841342 738827635 /nfs/dbraw/zinc/82/76/35/738827635.db2.gz OKYIYCIUPQOECI-ZHCJQAHYSA-N 2 0 277.456 1.981 10 0 CDAERP C[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1ccccn1 ZINC000925847034 738840313 /nfs/dbraw/zinc/84/03/13/738840313.db2.gz ZMEOYTOURYIDMK-OAHLLOKOSA-N 2 0 276.428 1.808 10 0 CDAERP C[C@@H]1C[N@H+](Cc2nc(C(C)(C)C)no2)C[C@H]1CC[NH3+] ZINC000723894467 738849870 /nfs/dbraw/zinc/84/98/70/738849870.db2.gz LFAFGPAHCPTFOU-GHMZBOCLSA-N 2 0 266.389 1.784 10 0 CDAERP CC[NH+](CC)CC1CC[NH+]([C@@H]2CCN(OC)C2=O)CC1 ZINC000929275752 738878939 /nfs/dbraw/zinc/87/89/39/738878939.db2.gz MHRZFHIGRFTWJK-CQSZACIVSA-N 2 0 283.416 1.203 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC[N@@H+]1C ZINC000870893443 738881299 /nfs/dbraw/zinc/88/12/99/738881299.db2.gz VQSNVNJVBUMSEL-SYQHCUMBSA-N 2 0 267.417 1.445 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000925335243 739075125 /nfs/dbraw/zinc/07/51/25/739075125.db2.gz SLIWXYBICXODQV-STQMWFEESA-N 2 0 270.421 1.062 10 0 CDAERP CC(C)N1CC[C@@H]([N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)C1=O ZINC000866705828 739088832 /nfs/dbraw/zinc/08/88/32/739088832.db2.gz IKEPROCVSFKDHD-CJNGLKHVSA-N 2 0 281.444 1.693 10 0 CDAERP O=C1CC[C@H]2C[N@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[C@H]2N1 ZINC000923389531 739090469 /nfs/dbraw/zinc/09/04/69/739090469.db2.gz CPDADFFTIJEXMI-XRMFNRFGSA-N 2 0 291.439 1.508 10 0 CDAERP CCc1ccc([C@H](C)[NH2+]CCN2CCC([NH3+])CC2)o1 ZINC000925815623 739103569 /nfs/dbraw/zinc/10/35/69/739103569.db2.gz SJVMFFGAKXHDAW-LBPRGKRZSA-N 2 0 265.401 1.916 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000868622154 738901695 /nfs/dbraw/zinc/90/16/95/738901695.db2.gz AZTXTMIEKVMOBF-ZNMIVQPWSA-N 2 0 296.459 1.451 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](C[C@@H](O)C2(O)CCC2)CC1 ZINC000929276474 738914884 /nfs/dbraw/zinc/91/48/84/738914884.db2.gz PLMYJAOFPAULFF-OAHLLOKOSA-N 2 0 284.444 1.316 10 0 CDAERP C[C@@H]1C[N@H+](Cc2nc3c(o2)CCCC3)CC[C@H]1C[NH3+] ZINC000923488062 738921109 /nfs/dbraw/zinc/92/11/09/738921109.db2.gz CYYVNJCKQADPPK-NEPJUHHUSA-N 2 0 263.385 1.970 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000711283194 736455650 /nfs/dbraw/zinc/45/56/50/736455650.db2.gz QFNIZBHJBBYWHK-ZDUSSCGKSA-N 2 0 267.417 1.221 10 0 CDAERP C[C@@H]1[C@H](NC(=O)N2CC[NH+](C3CCCC3)CC2)CC[N@@H+]1C ZINC000925318819 736483133 /nfs/dbraw/zinc/48/31/33/736483133.db2.gz HVWOAOITUBTPRM-UKRRQHHQSA-N 2 0 294.443 1.349 10 0 CDAERP COC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)C(C)C ZINC000925780404 736519148 /nfs/dbraw/zinc/51/91/48/736519148.db2.gz FPSVSPLCYSJLAX-WDEREUQCSA-N 2 0 250.333 1.492 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CCC2(CCOCC2)CO1 ZINC000925736684 736626369 /nfs/dbraw/zinc/62/63/69/736626369.db2.gz NJAXKTBEDLYNPZ-IHRRRGAJSA-N 2 0 270.417 1.678 10 0 CDAERP C[C@@H]1[NH2+]CCC[C@H]1NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000925725056 736711609 /nfs/dbraw/zinc/71/16/09/736711609.db2.gz GLMNUJLHMWYJAG-NUEKZKHPSA-N 2 0 261.413 1.677 10 0 CDAERP COC(=O)c1cncc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC000923492241 736724790 /nfs/dbraw/zinc/72/47/90/736724790.db2.gz MIDQCMONKJBMDN-DGCLKSJQSA-N 2 0 277.368 1.285 10 0 CDAERP C[N@@H+]1CC[C@@]2(CC[NH+](CC[C@@H]3COC(C)(C)O3)C2)C1 ZINC000852078018 736798714 /nfs/dbraw/zinc/79/87/14/736798714.db2.gz IRLYHOWNMMKOPG-UKRRQHHQSA-N 2 0 268.401 1.556 10 0 CDAERP COC/C(C)=C/C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000930138400 736837687 /nfs/dbraw/zinc/83/76/87/736837687.db2.gz ZBHHIFFVDYKTGU-DJKUPCSYSA-N 2 0 295.471 1.537 10 0 CDAERP COC(=O)c1cncc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923492242 736851940 /nfs/dbraw/zinc/85/19/40/736851940.db2.gz MIDQCMONKJBMDN-WCQYABFASA-N 2 0 277.368 1.285 10 0 CDAERP COC1CC(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)C1 ZINC000703822873 736880302 /nfs/dbraw/zinc/88/03/02/736880302.db2.gz DJTNNWDKKRSSFS-JYVUQVBGSA-N 2 0 252.402 1.875 10 0 CDAERP CCc1ccc2ccccc2c1CNC(C[NH3+])C[NH3+] ZINC000923357420 738938890 /nfs/dbraw/zinc/93/88/90/738938890.db2.gz ZQDACSLNGOZDJM-UHFFFAOYSA-N 2 0 257.381 1.778 10 0 CDAERP C([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)[C@H]1CCC12CCOCC2 ZINC000925734658 738939062 /nfs/dbraw/zinc/93/90/62/738939062.db2.gz PZQMJQBVOLOZIU-RWHKXBQASA-N 2 0 276.424 1.779 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(-n2cnnn2)cc1 ZINC000925788691 737018610 /nfs/dbraw/zinc/01/86/10/737018610.db2.gz AXPDUDMGUMHDEC-DYEKYZERSA-N 2 0 286.383 1.168 10 0 CDAERP Cc1nccn1-c1ccc(NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)cn1 ZINC000870919045 737114265 /nfs/dbraw/zinc/11/42/65/737114265.db2.gz VJVZHRCHKHMVBS-WQGACYEGSA-N 2 0 297.362 1.642 10 0 CDAERP C[C@@H]1C[C@@H]1NC(=[NH2+])NCc1ccnc(OCC[NH+](C)C)c1 ZINC000864463258 737228305 /nfs/dbraw/zinc/22/83/05/737228305.db2.gz UBFNVAMRIYGRRO-YPMHNXCESA-N 2 0 291.399 1.044 10 0 CDAERP CC(C)N1C[C@H]([NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1=O ZINC000925582066 737243911 /nfs/dbraw/zinc/24/39/11/737243911.db2.gz WJPWREDBCFYMEC-FRRDWIJNSA-N 2 0 267.417 1.491 10 0 CDAERP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)CCCC[NH+]2CCCC2)C1 ZINC000816955075 737259065 /nfs/dbraw/zinc/25/90/65/737259065.db2.gz SOBKKGUUMUMAOW-GJZGRUSLSA-N 2 0 279.428 1.415 10 0 CDAERP C([C@@H]1C[C@H]2COC[C@@H]2O1)N1CCC([NH+]2CCCCC2)CC1 ZINC000929287298 737273681 /nfs/dbraw/zinc/27/36/81/737273681.db2.gz MXHHJTIMZHEGLW-XIRDDKMYSA-N 2 0 294.439 1.741 10 0 CDAERP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C=C1CC[NH2+]CC1 ZINC000852792766 737307470 /nfs/dbraw/zinc/30/74/70/737307470.db2.gz BYKMGTJWKRXBAG-DGCLKSJQSA-N 2 0 251.374 1.025 10 0 CDAERP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925607601 737310371 /nfs/dbraw/zinc/31/03/71/737310371.db2.gz WERMAFHQHIWWDD-GJZGRUSLSA-N 3 0 296.503 1.508 10 0 CDAERP CC(C)[NH+]1CCN(CCCN2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC000866724727 737335990 /nfs/dbraw/zinc/33/59/90/737335990.db2.gz OJFZFDNNMAKXGM-IRXDYDNUSA-N 2 0 294.487 1.229 10 0 CDAERP Cc1cc([C@H]([NH3+])CC(=O)N[C@]2(C)CC[NH2+]C2)cc(Cl)n1 ZINC000852929259 738959218 /nfs/dbraw/zinc/95/92/18/738959218.db2.gz YWZRGUJGURWKEW-BXUZGUMPSA-N 2 0 296.802 1.302 10 0 CDAERP O[C@H](C[NH2+]C[C@H]1CCC12CCOCC2)C[NH+]1CCCC1 ZINC000872228657 737389686 /nfs/dbraw/zinc/38/96/86/737389686.db2.gz IRHDVZBCSLYPBQ-HUUCEWRRSA-N 2 0 282.428 1.240 10 0 CDAERP Cn1ccnc1CN1CC[NH+](CCCCCCC[NH3+])CC1 ZINC000842476287 737412879 /nfs/dbraw/zinc/41/28/79/737412879.db2.gz KYNAIJHUVSDRFX-UHFFFAOYSA-N 2 0 293.459 1.447 10 0 CDAERP C[C@H]1C[N@H+](CC(=O)NCC2CCCCC2)CC[C@@H]1C[NH3+] ZINC000923505548 737476548 /nfs/dbraw/zinc/47/65/48/737476548.db2.gz AWVPULTWOFNIFP-DZGCQCFKSA-N 2 0 281.444 1.600 10 0 CDAERP CC(C)COC[C@H](O)C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925614912 737495503 /nfs/dbraw/zinc/49/55/03/737495503.db2.gz YAQPNALKJXOUEX-ZACQAIPSSA-N 2 0 298.471 1.778 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)CCC23CC(C2)C[NH2+]3)C1 ZINC000870950526 737515388 /nfs/dbraw/zinc/51/53/88/737515388.db2.gz HHOWDYQFGYHOQI-CBCUQQMYSA-N 2 0 293.455 1.755 10 0 CDAERP OCCCCCCC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000852708517 737581043 /nfs/dbraw/zinc/58/10/43/737581043.db2.gz CTDGSRZQPMMTJL-INIZCTEOSA-N 2 0 284.444 1.460 10 0 CDAERP C[NH+](C)C[C@](C)(O)C[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000227975034 737583111 /nfs/dbraw/zinc/58/31/11/737583111.db2.gz TVRBDHOFOLXLQR-LSDHHAIUSA-N 2 0 284.444 1.771 10 0 CDAERP Cc1cc([C@H]([NH3+])CC(=O)NC[C@@H]2CCC[NH2+]2)cc(Cl)n1 ZINC000841847186 737692983 /nfs/dbraw/zinc/69/29/83/737692983.db2.gz SEGNDPPEAGESLP-NWDGAFQWSA-N 2 0 296.802 1.302 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)[C@H]([NH3+])CC(F)F)C1 ZINC000870994117 737715758 /nfs/dbraw/zinc/71/57/58/737715758.db2.gz NHNGEUJBZNXMTA-NOZJJQNGSA-N 2 0 277.359 1.192 10 0 CDAERP C(C[NH+]1CCC2(CC[NH2+]C2)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923359240 737821442 /nfs/dbraw/zinc/82/14/42/737821442.db2.gz PBUVKDFZUFXKER-MQVJKMGUSA-N 3 0 277.456 1.983 10 0 CDAERP O[C@H](C[NH2+][C@@H](C1CCC1)[C@H]1CCCO1)C[NH+]1CCCC1 ZINC000866240757 737837160 /nfs/dbraw/zinc/83/71/60/737837160.db2.gz MVYIEVVXDSEIRJ-OAGGEKHMSA-N 2 0 282.428 1.380 10 0 CDAERP O[C@H](C[NH2+][C@@H](C1CC1)[C@H]1CCCOC1)C[NH+]1CCCC1 ZINC000723989957 737842671 /nfs/dbraw/zinc/84/26/71/737842671.db2.gz XVIAWZDSNHFDGK-XHSDSOJGSA-N 2 0 282.428 1.238 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=S)NNc1cc[nH+]cc1C ZINC000863206072 737878685 /nfs/dbraw/zinc/87/86/85/737878685.db2.gz UCCNAPIHQXZVRU-GFCCVEGCSA-N 2 0 293.440 1.087 10 0 CDAERP COc1cc(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)sn1 ZINC000923445581 737987219 /nfs/dbraw/zinc/98/72/19/737987219.db2.gz KMPCEPQJNVYRBZ-LLVKDONJSA-N 2 0 297.424 1.482 10 0 CDAERP Cc1cc(CC[NH2+][C@H]2CCCCC[C@@H]2[NH3+])nn1C ZINC000925833846 738013249 /nfs/dbraw/zinc/01/32/49/738013249.db2.gz KVKDLHQFDKSDLJ-KBPBESRZSA-N 2 0 250.390 1.521 10 0 CDAERP CC(C)COC[C@@H](O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000923364453 738202347 /nfs/dbraw/zinc/20/23/47/738202347.db2.gz ADVFZPMXRSFWJZ-LSDHHAIUSA-N 2 0 270.417 1.095 10 0 CDAERP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCC3(COC3)O2)C1 ZINC000929791874 738257191 /nfs/dbraw/zinc/25/71/91/738257191.db2.gz WJBRYNMXBHUGOH-KBPBESRZSA-N 2 0 268.401 1.208 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH2+]CC2(C)C)C1 ZINC000711282477 738398579 /nfs/dbraw/zinc/39/85/79/738398579.db2.gz OKQWYBQNANWEAC-STQMWFEESA-N 2 0 267.417 1.079 10 0 CDAERP CC(C)OC(=O)N1CCC([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000848719596 739041890 /nfs/dbraw/zinc/04/18/90/739041890.db2.gz LANUOSSWHSJAHA-GXTWGEPZSA-N 2 0 283.416 1.855 10 0 CDAERP C[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1cncs1 ZINC000925842934 739043195 /nfs/dbraw/zinc/04/31/95/739043195.db2.gz CFUZMFZSTFYLCN-ZDUSSCGKSA-N 2 0 282.457 1.869 10 0 CDAERP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)o1 ZINC000928438292 739044627 /nfs/dbraw/zinc/04/46/27/739044627.db2.gz DTDQDZYZGXSBDI-GXTWGEPZSA-N 2 0 293.411 1.944 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)CCCC[NH3+])C1 ZINC000870991751 739083924 /nfs/dbraw/zinc/08/39/24/739083924.db2.gz HCSHOBRWWCFSAE-CQSZACIVSA-N 2 0 255.406 1.339 10 0 CDAERP CC[C@H](C(=O)N(CCOC)CC1CC[NH+](C)CC1)[NH+](C)C ZINC000869764436 1165103173 /nfs/dbraw/zinc/10/31/73/1165103173.db2.gz OBNKLDINWKPYAN-OAHLLOKOSA-N 2 0 299.459 1.143 10 0 CDAERP CC[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)[C@@H]1CCCOC1 ZINC000872024236 1165372073 /nfs/dbraw/zinc/37/20/73/1165372073.db2.gz ZIDHQSNMEKCVNL-IAGOWNOFSA-N 2 0 297.487 1.809 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001691740466 1166857665 /nfs/dbraw/zinc/85/76/65/1166857665.db2.gz VOPODMCSNCBEFU-FZNQNYSPSA-N 2 0 293.455 1.779 10 0 CDAERP CC(F)(F)CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000718610112 1166873809 /nfs/dbraw/zinc/87/38/09/1166873809.db2.gz TZIWKCHQTVUSPO-NSHDSACASA-N 2 0 277.359 1.209 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N(C)CCC[NH+]2CCCC2)CC[N@@H+]1C ZINC000351524312 1167050069 /nfs/dbraw/zinc/05/00/69/1167050069.db2.gz KVVRQJSFFMELHR-GJZGRUSLSA-N 2 0 281.444 1.661 10 0 CDAERP CCCC[NH2+]CC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001569999632 1167570783 /nfs/dbraw/zinc/57/07/83/1167570783.db2.gz CFNSWJRQAXBDLZ-CQSZACIVSA-N 2 0 269.433 1.566 10 0 CDAERP CC(C)=CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001570729469 1167584052 /nfs/dbraw/zinc/58/40/52/1167584052.db2.gz AWTGHOMVZQWGMU-ZIAGYGMSSA-N 2 0 267.417 1.483 10 0 CDAERP CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001565908719 1168199167 /nfs/dbraw/zinc/19/91/67/1168199167.db2.gz WZBGODYQUSHDSA-MELADBBJSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CC[NH+](C)C ZINC001272302001 912726770 /nfs/dbraw/zinc/72/67/70/912726770.db2.gz MNAUBWDNFWZGBG-KBPBESRZSA-N 2 0 269.433 1.469 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001483689417 912761079 /nfs/dbraw/zinc/76/10/79/912761079.db2.gz QPGOACQBONRTDI-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP CC[C@H](C(=O)NCC[N@H+](C)CC[C@H](C)F)[NH+](C)C ZINC001266351013 894507384 /nfs/dbraw/zinc/50/73/84/894507384.db2.gz XVMMWNCCFAQPJQ-NWDGAFQWSA-N 2 0 261.385 1.123 10 0 CDAERP CC(C)=CC[NH+]1CCC[C@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001266482867 895032053 /nfs/dbraw/zinc/03/20/53/895032053.db2.gz KGLBZHMNZZDNLN-CVEARBPZSA-N 2 0 293.455 1.875 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)CC1CC1 ZINC001480880636 895168307 /nfs/dbraw/zinc/16/83/07/895168307.db2.gz VUEWUDMQONSFRZ-LSDHHAIUSA-N 2 0 279.428 1.461 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCCF)C1 ZINC001266597882 895500029 /nfs/dbraw/zinc/50/00/29/895500029.db2.gz HSBFGLHRZJHTKL-MGPQQGTHSA-N 2 0 285.407 1.457 10 0 CDAERP CC[NH2+][C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001266599268 895505655 /nfs/dbraw/zinc/50/56/55/895505655.db2.gz DUDSVJFZCFFWGM-JHJVBQTASA-N 2 0 253.390 1.118 10 0 CDAERP C[N@H+](C[C@@H]1CC[C@@H](C(F)(F)F)O1)C1CC([NH3+])C1 ZINC000721458914 895713330 /nfs/dbraw/zinc/71/33/30/895713330.db2.gz MHNNWPSOMUQOBY-QLEHZGMVSA-N 2 0 252.280 1.518 10 0 CDAERP Cc1nccn1CCC[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000699625135 914050408 /nfs/dbraw/zinc/05/04/08/914050408.db2.gz VLGWHNJSFIWMOJ-TZMCWYRMSA-N 2 0 250.390 1.498 10 0 CDAERP C[C@@H](O)C[NH2+]C1CCC(NC(=O)CCCC[NH+](C)C)CC1 ZINC001266916013 896335667 /nfs/dbraw/zinc/33/56/67/896335667.db2.gz JMKXWSSMBRMIQB-WLYUNCDWSA-N 2 0 299.459 1.116 10 0 CDAERP CC/C=C\CC[NH2+][C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001266992983 896510880 /nfs/dbraw/zinc/51/08/80/896510880.db2.gz GKRYLXJJELJWKQ-WSNITJDQSA-N 2 0 267.417 1.533 10 0 CDAERP CC(C)CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001267026067 896591042 /nfs/dbraw/zinc/59/10/42/896591042.db2.gz DMDONEGHCJPEIM-AWEZNQCLSA-N 2 0 269.433 1.563 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001267065049 896670183 /nfs/dbraw/zinc/67/01/83/896670183.db2.gz PSHOCCPOSWBQDM-KGLIPLIRSA-N 2 0 297.418 1.268 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001267152944 896935779 /nfs/dbraw/zinc/93/57/79/896935779.db2.gz XPEHFINASVBJMJ-GJZGRUSLSA-N 2 0 281.444 1.779 10 0 CDAERP CC[N@@H+](CC=C(C)C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001267250607 897336690 /nfs/dbraw/zinc/33/66/90/897336690.db2.gz RLYPWSGSIUPFIX-HNNXBMFYSA-N 2 0 281.444 1.733 10 0 CDAERP CC(C)C[C@H](CN[C@H]1C[C@@H]([NH3+])C12CCC2)[NH+](C)C ZINC000405298974 897583396 /nfs/dbraw/zinc/58/33/96/897583396.db2.gz ILJGTTKKMHNNNJ-MCIONIFRSA-N 2 0 253.434 1.822 10 0 CDAERP COCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001481044403 898673005 /nfs/dbraw/zinc/67/30/05/898673005.db2.gz OHJZSQCXTCCEBO-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NCC2C[NH+](CCCCCF)C2)C1 ZINC001267696629 899311420 /nfs/dbraw/zinc/31/14/20/899311420.db2.gz WVCVDFKJKYOSDD-CQSZACIVSA-N 2 0 299.434 1.516 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001267748379 899561279 /nfs/dbraw/zinc/56/12/79/899561279.db2.gz XGSWLJFYZRPYKJ-LLYBFZRZSA-N 2 0 281.444 1.875 10 0 CDAERP CC[NH2+]CCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001481245003 899624899 /nfs/dbraw/zinc/62/48/99/899624899.db2.gz CHHZYWXQUPOQEX-CHWSQXEVSA-N 2 0 253.390 1.071 10 0 CDAERP O=C(N[C@H]1CC[C@H]([NH2+]CCCF)CC1)C12CC[NH+](CC1)C2 ZINC001267933579 900001037 /nfs/dbraw/zinc/00/10/37/900001037.db2.gz JSOZIPAESZGMLF-HDJSIYSDSA-N 2 0 297.418 1.459 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001267963756 900093749 /nfs/dbraw/zinc/09/37/49/900093749.db2.gz VIFLCGXKUYLBTI-OLZOCXBDSA-N 2 0 255.406 1.317 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CC1 ZINC001481391100 900535901 /nfs/dbraw/zinc/53/59/01/900535901.db2.gz SJUQCMYBBBBKNZ-IYBDPMFKSA-N 2 0 293.455 1.802 10 0 CDAERP CC[C@@H](C(=O)N(CC)[C@@H]1CC[N@H+](CCO)C1)[NH+](CC)CC ZINC001481774025 902115623 /nfs/dbraw/zinc/11/56/23/902115623.db2.gz HNIRVVCOFXDGHV-CABCVRRESA-N 2 0 299.459 1.022 10 0 CDAERP CC(C)[C@H](C(=O)NC/C=C\C[NH2+]C/C=C/Cl)[NH+](C)C ZINC001268586927 902689194 /nfs/dbraw/zinc/68/91/94/902689194.db2.gz GOALPPNBCQIWFL-XZFHOJOCSA-N 2 0 287.835 1.587 10 0 CDAERP O=C(C[NH+]1CCCC1)NC/C=C/C[NH2+]CC1CCCC1 ZINC001268625917 902837641 /nfs/dbraw/zinc/83/76/41/902837641.db2.gz VYZYJGJBTBTPBZ-ONEGZZNKSA-N 2 0 279.428 1.534 10 0 CDAERP CCC[NH2+]C[C@@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001268673531 902933461 /nfs/dbraw/zinc/93/34/61/902933461.db2.gz GFQGUDKSILCVPS-CYBMUJFWSA-N 2 0 277.412 1.866 10 0 CDAERP CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]CCF)C1)[NH+](C)C ZINC001280096841 904192140 /nfs/dbraw/zinc/19/21/40/904192140.db2.gz XQWIKYXTRCFXTG-CHWSQXEVSA-N 2 0 273.396 1.124 10 0 CDAERP C[C@H](C[NH2+]CC1CC(C)(C)C1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001482266091 904368805 /nfs/dbraw/zinc/36/88/05/904368805.db2.gz KRIKJZKHUDXBSB-HIFRSBDPSA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CCCF)CC[N@@H+]1C ZINC001482287619 904616972 /nfs/dbraw/zinc/61/69/72/904616972.db2.gz DIEBVHLHXSMGRK-MELADBBJSA-N 2 0 287.423 1.513 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@H](C)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001482293808 904692187 /nfs/dbraw/zinc/69/21/87/904692187.db2.gz ZZLGIHITDAZYKR-STQMWFEESA-N 2 0 287.423 1.655 10 0 CDAERP C[N@H+](CC1CC[NH+](C)CC1)CN1C[C@H]2CCC[C@H]2C1=O ZINC000839990880 905799888 /nfs/dbraw/zinc/79/98/88/905799888.db2.gz KWIDJNOYIWOXOX-HUUCEWRRSA-N 2 0 279.428 1.476 10 0 CDAERP CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001272974089 921288936 /nfs/dbraw/zinc/28/89/36/921288936.db2.gz LVVLCTRKFMHJOQ-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)[NH2+]CCc1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000843227107 921303223 /nfs/dbraw/zinc/30/32/23/921303223.db2.gz STTPDBCUDRQNFC-UHFFFAOYSA-N 2 0 271.324 1.925 10 0 CDAERP CC(C)=CC[N@@H+](C)CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001482622162 908064929 /nfs/dbraw/zinc/06/49/29/908064929.db2.gz GHWFFMSBOADSFT-UHFFFAOYSA-N 2 0 281.444 1.685 10 0 CDAERP COC(=O)CCC[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714413854 909733445 /nfs/dbraw/zinc/73/34/45/909733445.db2.gz RBWBCVILBQMQJO-UHFFFAOYSA-N 2 0 256.390 1.637 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cncs1)[NH+](C)C ZINC001273018400 921569318 /nfs/dbraw/zinc/56/93/18/921569318.db2.gz KBGFHZIULXHWQS-AAEUAGOBSA-N 2 0 298.456 1.468 10 0 CDAERP CCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001483232925 910379992 /nfs/dbraw/zinc/37/99/92/910379992.db2.gz KBNNGYPTTAWGCW-STQMWFEESA-N 2 0 255.406 1.365 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cc(C)no1 ZINC001409420458 910388318 /nfs/dbraw/zinc/38/83/18/910388318.db2.gz DSWSSXXEEUQSPD-OLZOCXBDSA-N 2 0 296.415 1.308 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CCOC)C1 ZINC001507111393 910755350 /nfs/dbraw/zinc/75/53/50/910755350.db2.gz DALRFNIBERDNEX-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP O=C([C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCC[NH2+]CC1 ZINC000227233173 911753226 /nfs/dbraw/zinc/75/32/26/911753226.db2.gz STMYWXXZLWWAGQ-IHRRRGAJSA-N 2 0 265.401 1.119 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)C1C[NH+](CCC2CC2)C1 ZINC001483886303 915169615 /nfs/dbraw/zinc/16/96/15/915169615.db2.gz IQFOSFJZRNYLHD-UHFFFAOYSA-N 2 0 267.417 1.271 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CCCC1 ZINC001484007202 915285346 /nfs/dbraw/zinc/28/53/46/915285346.db2.gz UXLUGGSSWCLHOG-GJZGRUSLSA-N 2 0 281.444 1.755 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC1CC1 ZINC001484461990 915790135 /nfs/dbraw/zinc/79/01/35/915790135.db2.gz AGHYNNOBWWRLFB-HZPDHXFCSA-N 2 0 293.455 1.804 10 0 CDAERP CC(C)C[NH2+]CC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001484535764 915864441 /nfs/dbraw/zinc/86/44/41/915864441.db2.gz KFWGTLIOACDGPA-CQSZACIVSA-N 2 0 269.433 1.422 10 0 CDAERP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1[NH2+]CCCF ZINC001484903504 916256702 /nfs/dbraw/zinc/25/67/02/916256702.db2.gz CJZROCUAYRTBMO-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@@H](C)[NH2+]CCC1CC1 ZINC001485190698 916652681 /nfs/dbraw/zinc/65/26/81/916652681.db2.gz RBFFLVWJLHSSOZ-CHWSQXEVSA-N 2 0 281.444 1.611 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)CC1CC1 ZINC001485388987 916941053 /nfs/dbraw/zinc/94/10/53/916941053.db2.gz PUOFYPAVINBPJZ-DZGCQCFKSA-N 2 0 281.444 1.707 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CC2CCC2)CC1(C)C ZINC001485577650 917107553 /nfs/dbraw/zinc/10/75/53/917107553.db2.gz PKRAYMRFOLAHEW-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP CCCC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001485696846 917198577 /nfs/dbraw/zinc/19/85/77/917198577.db2.gz YUZCDMVQIRGHEG-KKUMJFAQSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@H](CN(C)C(=O)C12CCC[NH+](CCC1)C2)[NH2+]CCF ZINC001485890630 920549801 /nfs/dbraw/zinc/54/98/01/920549801.db2.gz AVJKBYOOBHYSKW-CYBMUJFWSA-N 2 0 285.407 1.268 10 0 CDAERP CC[NH2+][C@H](C)CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001485929694 920598345 /nfs/dbraw/zinc/59/83/45/920598345.db2.gz CGICXIOJLBGNBE-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001486303295 920876339 /nfs/dbraw/zinc/87/63/39/920876339.db2.gz NJXQLBUEOQYSQP-GJZGRUSLSA-N 2 0 299.459 1.067 10 0 CDAERP CC(C)N(CC[N@H+](C)CCO)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001486369577 920949436 /nfs/dbraw/zinc/94/94/36/920949436.db2.gz KMUYDSLBOAJHDW-HNNXBMFYSA-N 2 0 299.459 1.020 10 0 CDAERP COCC[N@@H+](CC=C(C)C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001486427034 920997542 /nfs/dbraw/zinc/99/75/42/920997542.db2.gz HETMEKQEDAELFL-HNNXBMFYSA-N 2 0 297.443 1.111 10 0 CDAERP C[N@@H+]1CCC[C@H](C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000397726959 936707472 /nfs/dbraw/zinc/70/74/72/936707472.db2.gz OANGHTNAQWGYFG-CYBMUJFWSA-N 2 0 297.443 1.785 10 0 CDAERP CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001568334314 1169251739 /nfs/dbraw/zinc/25/17/39/1169251739.db2.gz LPNFCAMUNURZIR-KGLIPLIRSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@H]1C[C@H](C)CN(C(=O)C[N@H+](C)CCCCCC[NH3+])C1 ZINC000710693092 923244131 /nfs/dbraw/zinc/24/41/31/923244131.db2.gz KGIAXRKYCQZKAB-GJZGRUSLSA-N 2 0 283.460 1.942 10 0 CDAERP CC[N@H+](C)CCC(=O)NC1C[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC001494477726 923621588 /nfs/dbraw/zinc/62/15/88/923621588.db2.gz WKCJIXYIEGWOQO-KFWWJZLASA-N 2 0 293.455 1.565 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCC[NH+](CCCF)C2)C1 ZINC001491125603 936861932 /nfs/dbraw/zinc/86/19/32/936861932.db2.gz MLWOYUBCMARVRT-GJZGRUSLSA-N 2 0 299.434 1.516 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCC[NH+](CCC2CC2)C1 ZINC001491134344 936863040 /nfs/dbraw/zinc/86/30/40/936863040.db2.gz UMBGRGGPXYENQF-MRXNPFEDSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H]1CCN[C@H](C)[C@H]1[NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923371251 923786623 /nfs/dbraw/zinc/78/66/23/923786623.db2.gz WNEYKMXFNSEXAG-SWCHFVSRSA-N 2 0 265.445 1.883 10 0 CDAERP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CCC[NH2+]C3CC3)C2)C1 ZINC000923388276 923802532 /nfs/dbraw/zinc/80/25/32/923802532.db2.gz NMHMGKHIHZGSPR-FMKPAKJESA-N 3 0 281.444 1.347 10 0 CDAERP CC(C)[C@H](C(=O)N1CCC[C@H](C[NH2+]CCF)C1)[NH+](C)C ZINC001491184051 936869809 /nfs/dbraw/zinc/86/98/09/936869809.db2.gz DQGRUDZFRAIJDF-ZIAGYGMSSA-N 2 0 287.423 1.370 10 0 CDAERP C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923503124 923881619 /nfs/dbraw/zinc/88/16/19/923881619.db2.gz GTCGMKAQXSZIIF-SOUVJXGZSA-N 2 0 281.444 1.550 10 0 CDAERP COCCC[NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001491455152 936919187 /nfs/dbraw/zinc/91/91/87/936919187.db2.gz DJWBXWRMEGZMQO-AWEZNQCLSA-N 2 0 299.459 1.382 10 0 CDAERP CC(C)C[C@@H]([NH3+])CNc1ccc2c(c1)C[NH2+]CCO2 ZINC000841082164 936974699 /nfs/dbraw/zinc/97/46/99/936974699.db2.gz IJUAUBSSVPQMHE-CYBMUJFWSA-N 2 0 263.385 1.954 10 0 CDAERP CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Cn1ccnc1 ZINC001413796309 937044861 /nfs/dbraw/zinc/04/48/61/937044861.db2.gz YTIAOLNNEOFZED-GJZGRUSLSA-N 2 0 290.411 1.604 10 0 CDAERP CN(CC[NH2+]CCCC1CCC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001317572882 926302373 /nfs/dbraw/zinc/30/23/73/926302373.db2.gz JASPMZYVFVZQHY-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CCC(F)(F)F)CN1C(=O)CC[NH+](C)C ZINC001410882655 926727480 /nfs/dbraw/zinc/72/74/80/926727480.db2.gz ZRTMCWWDVJDIOG-GHMZBOCLSA-N 2 0 295.349 1.470 10 0 CDAERP CCC[N@H+](C)CCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001490257485 927062444 /nfs/dbraw/zinc/06/24/44/927062444.db2.gz FNBAISVRVXNUPQ-LSDHHAIUSA-N 2 0 281.444 1.851 10 0 CDAERP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001490569988 927235405 /nfs/dbraw/zinc/23/54/05/927235405.db2.gz NPWOMQSHNDESSF-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CC1CC(C[NH2+]C/C=C/CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001274133706 931189048 /nfs/dbraw/zinc/18/90/48/931189048.db2.gz MUXXYMIPDKWJCJ-XZJDITFYSA-N 2 0 293.455 1.779 10 0 CDAERP CCCC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001319709195 931485561 /nfs/dbraw/zinc/48/55/61/931485561.db2.gz BOEARAZVUGJZNY-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CCCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001274286841 931487962 /nfs/dbraw/zinc/48/79/62/931487962.db2.gz CHQPBMXFRYAMCW-UONOGXRCSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CCCF ZINC001319915944 931490757 /nfs/dbraw/zinc/49/07/57/931490757.db2.gz DFAZNKLPONYAFK-CYBMUJFWSA-N 2 0 287.423 1.561 10 0 CDAERP CC[NH+](CC)CCC[C@H](C)NC(=O)CC1CC([NH3+])C1 ZINC000718058040 931576731 /nfs/dbraw/zinc/57/67/31/931576731.db2.gz HDJQFAXYIQLEON-HSBZDZAISA-N 2 0 269.433 1.741 10 0 CDAERP C[C@H](C[NH2+]C/C=C\Cl)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001274925226 931608179 /nfs/dbraw/zinc/60/81/79/931608179.db2.gz ALANARABRIEDOW-ZHRWSRJISA-N 2 0 289.851 1.811 10 0 CDAERP CC(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001275482797 931824038 /nfs/dbraw/zinc/82/40/38/931824038.db2.gz VZOUTNDQAGVTJL-STQMWFEESA-N 2 0 269.433 1.467 10 0 CDAERP CCCC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001279193223 931830384 /nfs/dbraw/zinc/83/03/84/931830384.db2.gz JRDHMZXGXKKJTH-LSDHHAIUSA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)[NH+](CCNC(=O)CC[N@@H+]1CC[C@H](F)C1)C(C)C ZINC001411610965 931914766 /nfs/dbraw/zinc/91/47/66/931914766.db2.gz IAWSWXIRPXGDRQ-AWEZNQCLSA-N 2 0 287.423 1.655 10 0 CDAERP CN(CC(C)(C)C[NH2+]CCF)C(=O)C[NH+]1CCCC1 ZINC001275742486 931992387 /nfs/dbraw/zinc/99/23/87/931992387.db2.gz YBXDQFGPUGITNB-UHFFFAOYSA-N 2 0 273.396 1.126 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)CC2(C[NH3+])CCCCC2)CC[N@@H+]1C ZINC000719394778 932034691 /nfs/dbraw/zinc/03/46/91/932034691.db2.gz WZTIFKANRJUXPH-OLZOCXBDSA-N 2 0 267.417 1.495 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CCF ZINC001275807112 932053376 /nfs/dbraw/zinc/05/33/76/932053376.db2.gz QOGHBJKFJZDRJO-KGLIPLIRSA-N 2 0 287.423 1.562 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)CCC1CC1)[NH+](C)C ZINC001275859094 932101957 /nfs/dbraw/zinc/10/19/57/932101957.db2.gz VMLZTLOADXJYFJ-TZMCWYRMSA-N 2 0 269.433 1.563 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)C1([NH+](C)C)CCCC1 ZINC001144947997 932138847 /nfs/dbraw/zinc/13/88/47/932138847.db2.gz SUBVCKIJKOVVOD-UHFFFAOYSA-N 2 0 269.433 1.709 10 0 CDAERP C[NH+](C)CC1(C(=O)N2CC[C@@H](CC[NH2+]CC3CC3)C2)CC1 ZINC001326351875 932202567 /nfs/dbraw/zinc/20/25/67/932202567.db2.gz WXVGRKLIJRCBOL-OAHLLOKOSA-N 2 0 293.455 1.566 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CCC[NH+]3CCC[C@@H]3C2)C1 ZINC001412473990 932444260 /nfs/dbraw/zinc/44/42/60/932444260.db2.gz YREAOJBHKHXJGW-HZPDHXFCSA-N 2 0 293.455 1.804 10 0 CDAERP O=C(CC[N@H+]1CC[C@@H](F)C1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC001412481273 932448992 /nfs/dbraw/zinc/44/89/92/932448992.db2.gz KVLCKIXOZIXAQE-ZIAGYGMSSA-N 2 0 283.391 1.117 10 0 CDAERP CCn1nc(C)c([C@H](C)[NH2+]CCCC[NH+](C)C)n1 ZINC000924851628 932827440 /nfs/dbraw/zinc/82/74/40/932827440.db2.gz AGECPGZJHMIISA-NSHDSACASA-N 2 0 253.394 1.599 10 0 CDAERP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccnnc1 ZINC000924960899 932835817 /nfs/dbraw/zinc/83/58/17/932835817.db2.gz UCSACJRLLIMXFF-AWEZNQCLSA-N 2 0 291.443 1.401 10 0 CDAERP CCC(C)(C)[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000925340452 932874830 /nfs/dbraw/zinc/87/48/30/932874830.db2.gz CNRZWNRTBLZPKA-ZIAGYGMSSA-N 2 0 296.459 1.595 10 0 CDAERP CCC(CC)(C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)C(=O)OC ZINC000925647793 932921389 /nfs/dbraw/zinc/92/13/89/932921389.db2.gz HHALJXYCBRLQCY-VXGBXAGGSA-N 2 0 268.401 1.825 10 0 CDAERP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1CCOC1 ZINC000925782017 932939172 /nfs/dbraw/zinc/93/91/72/932939172.db2.gz JUSXWXWWSPDVIZ-WOPDTQHZSA-N 2 0 262.344 1.636 10 0 CDAERP C[NH+](C)CCC1CC[NH+](C[C@H](O)C2(O)CCCC2)CC1 ZINC000929328079 933226578 /nfs/dbraw/zinc/22/65/78/933226578.db2.gz QTNYFDJICOJZMD-HNNXBMFYSA-N 2 0 284.444 1.316 10 0 CDAERP C[NH+](C)C1(C)CC[NH+](C[C@H]2CCNC(=O)CC2)CC1 ZINC000931356440 933548264 /nfs/dbraw/zinc/54/82/64/933548264.db2.gz XMXMAAMDMFXTKF-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001493210161 935569206 /nfs/dbraw/zinc/56/92/06/935569206.db2.gz GZVPTCYSSRETJV-LSDHHAIUSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC001413424777 936027375 /nfs/dbraw/zinc/02/73/75/936027375.db2.gz DYGCJNRWAKKLNU-HLIUYOAVSA-N 2 0 283.460 1.953 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C(C)C)CC1(C)C ZINC001276622941 940443735 /nfs/dbraw/zinc/44/37/35/940443735.db2.gz BWTQQPPAGGWQCV-CYBMUJFWSA-N 2 0 269.433 1.563 10 0 CDAERP C[C@@H]([NH2+]Cc1cccc2c1OCO2)C1CC[NH2+]CC1 ZINC000400560839 940852469 /nfs/dbraw/zinc/85/24/69/940852469.db2.gz HVSIOPXDDQGOFT-LLVKDONJSA-N 2 0 262.353 1.893 10 0 CDAERP Cc1cc(C)n(CCC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)n1 ZINC000405344378 940984471 /nfs/dbraw/zinc/98/44/71/940984471.db2.gz KDSAHHIMZHDKEZ-ZIAGYGMSSA-N 2 0 262.401 1.750 10 0 CDAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001362116182 970906311 /nfs/dbraw/zinc/90/63/11/970906311.db2.gz ZNUCXXOZJQZAEG-JYJNAYRXSA-N 2 0 295.471 1.907 10 0 CDAERP CCC[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001280683110 942474349 /nfs/dbraw/zinc/47/43/49/942474349.db2.gz PFJRUTPKMYECDL-HNNXBMFYSA-N 2 0 297.443 1.089 10 0 CDAERP CCOCC[N@H+](C)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001277441450 942578108 /nfs/dbraw/zinc/57/81/08/942578108.db2.gz QGMCEMLTVDUXMI-OAHLLOKOSA-N 2 0 299.459 1.286 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CC1CC(C)C1 ZINC001282449070 942715107 /nfs/dbraw/zinc/71/51/07/942715107.db2.gz JMZNOTYYKKGTBQ-MOKVOYLWSA-N 2 0 269.433 1.421 10 0 CDAERP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C(C)(C)C1 ZINC001282822118 942755867 /nfs/dbraw/zinc/75/58/67/942755867.db2.gz RKDZOPNJDNPCPH-UONOGXRCSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)=CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001283278056 942870584 /nfs/dbraw/zinc/87/05/84/942870584.db2.gz HIZPCRXWYSPWGR-CABCVRRESA-N 2 0 281.444 1.779 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@@H]2CCC[NH+](C)C2)C1 ZINC001362153621 970952726 /nfs/dbraw/zinc/95/27/26/970952726.db2.gz FENSFFJPAXLPLZ-HZPDHXFCSA-N 2 0 295.471 1.907 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001284001042 943044185 /nfs/dbraw/zinc/04/41/85/943044185.db2.gz ADSIBFBBHOJONS-KBPBESRZSA-N 2 0 269.433 1.563 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC[N@@H+]1C ZINC001362165224 970966700 /nfs/dbraw/zinc/96/67/00/970966700.db2.gz NIUIFEJKSVKEHM-JYJNAYRXSA-N 2 0 293.455 1.804 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)[C@@H](C[NH2+]CCF)C1CC1)[NH+](C)C ZINC001277662827 943262300 /nfs/dbraw/zinc/26/23/00/943262300.db2.gz PDTUBZPXPLLKGV-KBPBESRZSA-N 2 0 287.423 1.369 10 0 CDAERP Cc1nc[nH]c1CNC(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC001362193745 970999434 /nfs/dbraw/zinc/99/94/34/970999434.db2.gz ACISWFJPKBWZGE-UHFFFAOYSA-N 2 0 288.351 1.837 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001263879489 944018500 /nfs/dbraw/zinc/01/85/00/944018500.db2.gz YNVKGDVPMAPODV-IHRRRGAJSA-N 2 0 267.417 1.223 10 0 CDAERP CC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCF)[NH+](C)C ZINC001264553599 944149674 /nfs/dbraw/zinc/14/96/74/944149674.db2.gz SISBPUZXDMIDPT-HZSPNIEDSA-N 2 0 287.423 1.513 10 0 CDAERP C[C@@H](CN(C)C(=O)CC1CC[NH+](C)CC1)[NH2+]CCCF ZINC001277954573 944209655 /nfs/dbraw/zinc/20/96/55/944209655.db2.gz QTTQHSYOAYCDEF-ZDUSSCGKSA-N 2 0 287.423 1.514 10 0 CDAERP C[N@H+](CCCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)CC1CC1 ZINC001265046558 944213230 /nfs/dbraw/zinc/21/32/30/944213230.db2.gz IOZZBMWXFANDLZ-HZPDHXFCSA-N 2 0 293.455 1.851 10 0 CDAERP CCCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001265596549 944440323 /nfs/dbraw/zinc/44/03/23/944440323.db2.gz FXOZDMVHPIZATD-HOTGVXAUSA-N 2 0 295.471 1.957 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001265624209 944449921 /nfs/dbraw/zinc/44/99/21/944449921.db2.gz NQTGJYKRXRJITG-HOTGVXAUSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001265691972 944470766 /nfs/dbraw/zinc/47/07/66/944470766.db2.gz VXMLPCQBZBVFCD-JKSUJKDBSA-N 2 0 293.455 1.875 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001265931015 944578946 /nfs/dbraw/zinc/57/89/46/944578946.db2.gz SQZCHPKVBQGSJM-KBPBESRZSA-N 2 0 267.417 1.319 10 0 CDAERP CC/C=C\CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001278016717 944586585 /nfs/dbraw/zinc/58/65/85/944586585.db2.gz DTOKINHPOODPKQ-YOVCOIKASA-N 2 0 281.444 1.731 10 0 CDAERP COC[C@@H](C)[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001266125428 944698721 /nfs/dbraw/zinc/69/87/21/944698721.db2.gz AOKGKXNBYQSVHM-HIFRSBDPSA-N 2 0 297.443 1.086 10 0 CDAERP CC[C@H](C(=O)NCC[C@H](C)[NH2+]CC1CC1)[NH+](C)C ZINC001266154992 944720729 /nfs/dbraw/zinc/72/07/29/944720729.db2.gz IEAHYTWJLZPJDJ-WCQYABFASA-N 2 0 255.406 1.221 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CCOCC)[C@@H]1C ZINC001332217058 945946556 /nfs/dbraw/zinc/94/65/56/945946556.db2.gz FXEWONJTFOHSAW-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001479349144 971305253 /nfs/dbraw/zinc/30/52/53/971305253.db2.gz XKTMDOHMRIARPU-GASCZTMLSA-N 2 0 281.444 1.777 10 0 CDAERP CCOCC[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001278379137 947352351 /nfs/dbraw/zinc/35/23/51/947352351.db2.gz RFAXDPCBJSQVPQ-KBPBESRZSA-N 2 0 297.443 1.086 10 0 CDAERP CCCC[NH2+]C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001569014265 1169595768 /nfs/dbraw/zinc/59/57/68/1169595768.db2.gz UUDVQBHRBFFMLO-GFCCVEGCSA-N 2 0 255.406 1.223 10 0 CDAERP C[C@@H]([NH2+]CCCF)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001279017556 948608755 /nfs/dbraw/zinc/60/87/55/948608755.db2.gz LOFBOESTDVHEIQ-ZIAGYGMSSA-N 2 0 299.434 1.514 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]CC1CC1)C1CC1 ZINC001480028124 971544060 /nfs/dbraw/zinc/54/40/60/971544060.db2.gz JODVDEPYUQKUNY-CABCVRRESA-N 2 0 279.428 1.365 10 0 CDAERP C[C@H](C[NH2+]CCC1CCCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001569036026 1169606888 /nfs/dbraw/zinc/60/68/88/1169606888.db2.gz KGCUKKUCBJVNAF-HIFRSBDPSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001480163670 971610011 /nfs/dbraw/zinc/61/00/11/971610011.db2.gz ICRMXYCUZCHQSB-RBSFLKMASA-N 2 0 299.434 1.703 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC001362918348 971728664 /nfs/dbraw/zinc/72/86/64/971728664.db2.gz VRCUTEPVRGTZNB-RDBSUJKOSA-N 2 0 299.484 1.270 10 0 CDAERP O=C(CC[N@H+]1CC[C@@H](F)C1)NC1CC[NH+](C2CCC2)CC1 ZINC001362953809 971757571 /nfs/dbraw/zinc/75/75/71/971757571.db2.gz HXNQTTGGEQSOCG-CYBMUJFWSA-N 2 0 297.418 1.553 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001480591132 971798292 /nfs/dbraw/zinc/79/82/92/971798292.db2.gz BXYNTONKEROTEF-GJZGRUSLSA-N 2 0 297.443 1.015 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CCCF)C1 ZINC001480642013 971821217 /nfs/dbraw/zinc/82/12/17/971821217.db2.gz MXKVZPFRLPCHIA-LSDHHAIUSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCCF)C1 ZINC001480642010 971821751 /nfs/dbraw/zinc/82/17/51/971821751.db2.gz MXKVZPFRLPCHIA-CABCVRRESA-N 2 0 299.434 1.657 10 0 CDAERP C[C@@H](O)CCC[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001480734434 971857006 /nfs/dbraw/zinc/85/70/06/971857006.db2.gz FPKPENZIIZEARP-CABCVRRESA-N 2 0 299.459 1.022 10 0 CDAERP CCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](C)CC1(C)C ZINC001363637048 953583056 /nfs/dbraw/zinc/58/30/56/953583056.db2.gz YVASAMIYWYGJBD-UONOGXRCSA-N 2 0 281.444 1.707 10 0 CDAERP c1cc(N2CCC([NH2+][C@@H]3C[C@@H]4COC[C@H]34)CC2)cc[nH+]1 ZINC001363688502 953652562 /nfs/dbraw/zinc/65/25/62/953652562.db2.gz METVOUYCRBUKLQ-UHOFOFEASA-N 2 0 273.380 1.675 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](C[NH2+]C(C)C)C1 ZINC001325583758 953973501 /nfs/dbraw/zinc/97/35/01/953973501.db2.gz WZIGZGCLZKVCMR-UONOGXRCSA-N 2 0 269.433 1.421 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001363887867 953974861 /nfs/dbraw/zinc/97/48/61/953974861.db2.gz VFGWUOKCCYGVES-KBPBESRZSA-N 2 0 287.423 1.513 10 0 CDAERP CC(C)C[NH2+]CC[C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001326363053 954340231 /nfs/dbraw/zinc/34/02/31/954340231.db2.gz DXZDLDQWHXOIND-HOTGVXAUSA-N 2 0 295.471 1.812 10 0 CDAERP C[NH+](C)CCC[C@@H]1C[N@H+](CC23CC(C)(C2)OC3)CCO1 ZINC001364481212 954665806 /nfs/dbraw/zinc/66/58/06/954665806.db2.gz JMRFNDXRJXZJQU-QQFBHYJXSA-N 2 0 282.428 1.598 10 0 CDAERP Cc1nccn1CCN1Cc2nc(C3CC3)[nH]c(=O)c2C1 ZINC001363297373 972064007 /nfs/dbraw/zinc/06/40/07/972064007.db2.gz JHZIZTPDBXZMIP-UHFFFAOYSA-N 2 0 285.351 1.580 10 0 CDAERP CCOC(=O)CCN1CCC([NH2+]C2CCOCC2)CC1 ZINC001364802491 955185008 /nfs/dbraw/zinc/18/50/08/955185008.db2.gz IKCLLXZFRFLXOO-UHFFFAOYSA-N 2 0 284.400 1.173 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]C/C=C\Cl ZINC001493548247 972080431 /nfs/dbraw/zinc/08/04/31/972080431.db2.gz ZOEKOSPCKDFUII-VGVVRCBHSA-N 2 0 287.835 1.660 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+][C@@H](C)c1ccccc1 ZINC001491569552 955309404 /nfs/dbraw/zinc/30/94/04/955309404.db2.gz RNMLJZASZXECTP-KGLIPLIRSA-N 2 0 277.412 1.794 10 0 CDAERP CC(C)[NH2+]CC1(NC(=O)C[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001421531017 955394973 /nfs/dbraw/zinc/39/49/73/955394973.db2.gz FIVFARRNWAYSKM-AWEZNQCLSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H]1CCC[N@@H+]1CCN[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC001328688475 955414908 /nfs/dbraw/zinc/41/49/08/955414908.db2.gz BHKLYVFGCDOKMM-ZIAGYGMSSA-N 2 0 253.434 1.933 10 0 CDAERP CC[NH2+]C[C@H](C)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001421721770 955503919 /nfs/dbraw/zinc/50/39/19/955503919.db2.gz CWEJMKZJCCEXIX-WFASDCNBSA-N 2 0 287.423 1.561 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NC2CC(C[NH2+]CCCCCF)C2)C1 ZINC001328953748 955576946 /nfs/dbraw/zinc/57/69/46/955576946.db2.gz AWAJMCMBSPFCMA-SHARSMKWSA-N 2 0 299.434 1.562 10 0 CDAERP COCCC[NH2+]CCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001493748984 972110123 /nfs/dbraw/zinc/11/01/23/972110123.db2.gz UMHNWLUOOKVFRB-UHFFFAOYSA-N 2 0 299.459 1.191 10 0 CDAERP C(C[NH+]1CCCC1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC001422230066 955869134 /nfs/dbraw/zinc/86/91/34/955869134.db2.gz BKTKBFCBTZFOED-UHFFFAOYSA-N 2 0 281.444 1.315 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]CC=C(Cl)Cl ZINC001422393441 955979732 /nfs/dbraw/zinc/97/97/32/955979732.db2.gz TXMRHKAFLFZNRJ-VHSXEESVSA-N 2 0 296.242 1.740 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]C/C(Cl)=C/Cl ZINC001422396442 955983891 /nfs/dbraw/zinc/98/38/91/955983891.db2.gz WJDKUGSRDWQHBR-QHNMEFLSSA-N 2 0 296.242 1.740 10 0 CDAERP CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001329575525 955994230 /nfs/dbraw/zinc/99/42/30/955994230.db2.gz VDUGVQMVKSCRRX-KBPBESRZSA-N 2 0 269.433 1.706 10 0 CDAERP CCCN(C(=O)Cn1cncc1C)[C@H]1CC[N@H+](CC)C1 ZINC001493965584 972147116 /nfs/dbraw/zinc/14/71/16/972147116.db2.gz WNNAKDFFXIMLNY-AWEZNQCLSA-N 2 0 278.400 1.524 10 0 CDAERP CCCN(C(=O)Cn1cncc1C)[C@H]1CC[N@H+](CCC)C1 ZINC001493965780 972147210 /nfs/dbraw/zinc/14/72/10/972147210.db2.gz ZGCCAZQFCUKTOX-HNNXBMFYSA-N 2 0 292.427 1.914 10 0 CDAERP CCC(CC)C[NH2+]C[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001422590152 956177533 /nfs/dbraw/zinc/17/75/33/956177533.db2.gz KUUNNWNGMZQFGO-UKRRQHHQSA-N 2 0 283.460 1.859 10 0 CDAERP C[N@H+](CCCCCF)CCNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001317470379 956358454 /nfs/dbraw/zinc/35/84/54/956358454.db2.gz WWXAIPWSRPCXFF-INIZCTEOSA-N 2 0 299.434 1.660 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H]2C[N@@H+](CC)CC[C@@H]2C1 ZINC001365881992 956420671 /nfs/dbraw/zinc/42/06/71/956420671.db2.gz WIDSCVSYFDNHCW-QLFBSQMISA-N 2 0 299.434 1.467 10 0 CDAERP CC(C)CC[NH2+][C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001366056108 956538700 /nfs/dbraw/zinc/53/87/00/956538700.db2.gz DCAIUUYLEUUBRI-GOEBONIOSA-N 2 0 295.471 1.859 10 0 CDAERP CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001330685803 956563942 /nfs/dbraw/zinc/56/39/42/956563942.db2.gz DGOFGLPUFUOYQW-MGPQQGTHSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)CC[NH2+][C@H](C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001423079051 956568092 /nfs/dbraw/zinc/56/80/92/956568092.db2.gz PHPKUPQPCUWURT-CQSZACIVSA-N 2 0 283.460 1.953 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@H](F)CC)C1 ZINC001366111700 956574198 /nfs/dbraw/zinc/57/41/98/956574198.db2.gz IMTMNDALGUREIF-KBUPBQIOSA-N 2 0 299.434 1.846 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001423119700 956605888 /nfs/dbraw/zinc/60/58/88/956605888.db2.gz AWEQDNJMNKOGRS-CJNGLKHVSA-N 2 0 299.434 1.798 10 0 CDAERP CC(C)[N@@H+]1CC[C@]2(NC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001423356807 956739024 /nfs/dbraw/zinc/73/90/24/956739024.db2.gz VNONDPPWPFPRLF-GDBMZVCRSA-N 2 0 281.444 1.850 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@H]([NH2+]CC2CCCC2)C(C)(C)C1 ZINC001423402301 956762896 /nfs/dbraw/zinc/76/28/96/956762896.db2.gz NKHIJLGMLIVSDM-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001366385399 956787189 /nfs/dbraw/zinc/78/71/89/956787189.db2.gz OVILIWBBERECRI-ZFWWWQNUSA-N 2 0 299.434 1.657 10 0 CDAERP Cc1oncc1C[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001316841776 957066762 /nfs/dbraw/zinc/06/67/62/957066762.db2.gz CALYFQUUFOYYQS-CQSZACIVSA-N 2 0 294.399 1.015 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001366673916 957103564 /nfs/dbraw/zinc/10/35/64/957103564.db2.gz CRHMGNOSSVABOY-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@H](C)C[N@H+](CC)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001316909061 957115878 /nfs/dbraw/zinc/11/58/78/957115878.db2.gz LNWWZZPGVDIHBQ-LSDHHAIUSA-N 2 0 283.460 1.812 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001366702292 957126204 /nfs/dbraw/zinc/12/62/04/957126204.db2.gz NQLYALLTMMDSOO-HNNXBMFYSA-N 2 0 279.428 1.320 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]([NH2+]CCCF)C1 ZINC001317061103 957236762 /nfs/dbraw/zinc/23/67/62/957236762.db2.gz SAHOKIANEJLPHD-KBPBESRZSA-N 2 0 285.407 1.411 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC(C)C)C1 ZINC001317124136 957288779 /nfs/dbraw/zinc/28/87/79/957288779.db2.gz ALCMRYSAEPRCRH-OKILXGFUSA-N 2 0 269.433 1.611 10 0 CDAERP CC[C@H](C(=O)N(C)[C@H]1CC[N@H+](CCC2CC2)C1)[NH+](C)C ZINC001367060047 957378159 /nfs/dbraw/zinc/37/81/59/957378159.db2.gz DHHIEEQNUVQPPR-LSDHHAIUSA-N 2 0 281.444 1.659 10 0 CDAERP CCOCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001317380151 957442338 /nfs/dbraw/zinc/44/23/38/957442338.db2.gz ZLAMYCNKENKGMW-HUUCEWRRSA-N 2 0 297.443 1.040 10 0 CDAERP CC[N@@H+]1CCCCC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001425187084 957482992 /nfs/dbraw/zinc/48/29/92/957482992.db2.gz FBWQAZLFXIPLMT-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[NH+](CC2CC2)CC1(C)C ZINC001425324238 957514920 /nfs/dbraw/zinc/51/49/20/957514920.db2.gz UDNIBRZPJVYBCP-AWEZNQCLSA-N 2 0 281.444 1.565 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001317502986 957515512 /nfs/dbraw/zinc/51/55/12/957515512.db2.gz VQQXLMVWKPGCPI-KGLIPLIRSA-N 2 0 267.417 1.461 10 0 CDAERP CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)CC[NH+](C)C)C[C@@]2(C)C1 ZINC001425380054 957523105 /nfs/dbraw/zinc/52/31/05/957523105.db2.gz RXZKMFBFUJHTOZ-CALCHBBNSA-N 2 0 295.471 1.909 10 0 CDAERP CCCC[NH2+][C@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC001332436413 957565576 /nfs/dbraw/zinc/56/55/76/957565576.db2.gz DNRRZVIXWOMHRP-CABCVRRESA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001425897512 957637298 /nfs/dbraw/zinc/63/72/98/957637298.db2.gz DOBAJFDDHOABEK-OFQRWUPVSA-N 2 0 299.434 1.799 10 0 CDAERP CC(C)[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)CCC1CC1 ZINC001317709060 957645133 /nfs/dbraw/zinc/64/51/33/957645133.db2.gz RQNQLKYORXCAQF-MRXNPFEDSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)C[NH2+]CC1CCCC1 ZINC001367268178 957892928 /nfs/dbraw/zinc/89/29/28/957892928.db2.gz CKIYYFXQAXPPEB-CQSZACIVSA-N 2 0 295.471 1.860 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001367348584 957960015 /nfs/dbraw/zinc/96/00/15/957960015.db2.gz GQLHCGNKIHGBOW-UKRRQHHQSA-N 2 0 281.444 1.421 10 0 CDAERP CCCC[NH2+]C[C@@](C)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001318728484 958245782 /nfs/dbraw/zinc/24/57/82/958245782.db2.gz OLDJHIPJVWLXSM-MRXNPFEDSA-N 2 0 281.444 1.757 10 0 CDAERP CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CC[C@H](C)F)[NH+](C)C ZINC001319111649 958382742 /nfs/dbraw/zinc/38/27/42/958382742.db2.gz KYNZVSMXTBEIFD-MJBXVCDLSA-N 2 0 287.423 1.655 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001368163958 958681686 /nfs/dbraw/zinc/68/16/86/958681686.db2.gz UCNPMODGYGGSIQ-HIFRSBDPSA-N 2 0 287.423 1.657 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@@H](C[NH2+]CCCF)C2CC2)CCC1 ZINC001569306928 1169756516 /nfs/dbraw/zinc/75/65/16/1169756516.db2.gz XXCYADXLHBKOIX-ZDUSSCGKSA-N 2 0 285.407 1.315 10 0 CDAERP C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1[NH2+]CCCF ZINC001319694110 958689206 /nfs/dbraw/zinc/68/92/06/958689206.db2.gz FTDAKSVNITYYEA-ZFWWWQNUSA-N 2 0 299.434 1.514 10 0 CDAERP CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1(C[NH+](C)C)CC1 ZINC001368393096 958806229 /nfs/dbraw/zinc/80/62/29/958806229.db2.gz HMDRKZJZDZCOQU-CABCVRRESA-N 2 0 293.455 1.804 10 0 CDAERP CC[C@H](C)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCC1 ZINC001368486636 958893435 /nfs/dbraw/zinc/89/34/35/958893435.db2.gz OFGJSOROVCWUND-UONOGXRCSA-N 2 0 281.444 1.755 10 0 CDAERP CCC[NH2+]C1(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CCC1 ZINC001368496683 958904823 /nfs/dbraw/zinc/90/48/23/958904823.db2.gz QNJQAKXCKWUSOA-KBPBESRZSA-N 2 0 281.444 1.898 10 0 CDAERP C[NH+](C)CCC(=O)N1CCCCC[C@@H]([NH2+]CCF)C1 ZINC001368752509 959108312 /nfs/dbraw/zinc/10/83/12/959108312.db2.gz CTXDOSSOLQXDPB-CYBMUJFWSA-N 2 0 273.396 1.268 10 0 CDAERP CC[NH2+]CCN(CC)C(=O)[C@H]1COCCN1C1CCCC1 ZINC001320819380 959409258 /nfs/dbraw/zinc/40/92/58/959409258.db2.gz IQNRRZWIVFSOKE-OAHLLOKOSA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC2CC2)CC1(C)C)[NH+](C)C ZINC001369124024 959472758 /nfs/dbraw/zinc/47/27/58/959472758.db2.gz VWVRSSHCBPOXKB-ZIAGYGMSSA-N 2 0 281.444 1.563 10 0 CDAERP CC(C)C[NH2+][C@H](C)CN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001369284894 959605124 /nfs/dbraw/zinc/60/51/24/959605124.db2.gz XTMYPCIPSXQCSU-CQSZACIVSA-N 2 0 299.459 1.190 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]C/C=C/Cl)C(C)(C)C1 ZINC001369449422 959690025 /nfs/dbraw/zinc/69/00/25/959690025.db2.gz SIEZEFFQIJUSNE-MVTQWGDUSA-N 2 0 299.846 1.660 10 0 CDAERP Cc1nc[nH]c1CC(=O)NCC=CC[NH2+]Cc1ccccn1 ZINC001321353898 959743472 /nfs/dbraw/zinc/74/34/72/959743472.db2.gz UWOSYTJXGLTMMG-PLNGDYQASA-N 2 0 299.378 1.118 10 0 CDAERP CCCCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001321479681 959810738 /nfs/dbraw/zinc/81/07/38/959810738.db2.gz ULWMLFQXLMPJAP-OLZOCXBDSA-N 2 0 255.406 1.365 10 0 CDAERP C[C@](C[NH2+]CC1CC1)(NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001495293561 972465913 /nfs/dbraw/zinc/46/59/13/972465913.db2.gz NNAIQTDNPZUBJB-MRXNPFEDSA-N 2 0 291.439 1.367 10 0 CDAERP C[C@@H](C[NH2+]C/C=C/Cl)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001322042190 960066505 /nfs/dbraw/zinc/06/65/05/960066505.db2.gz NMBKYSSYSFCQML-SCBUBVSKSA-N 2 0 273.808 1.175 10 0 CDAERP CCc1nc(C)c(C[NH2+][C@H](C)CNC(=O)CC[NH+](C)C)o1 ZINC001371343587 972481582 /nfs/dbraw/zinc/48/15/82/972481582.db2.gz GVZUNJLLFRKSLQ-LLVKDONJSA-N 2 0 296.415 1.091 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001323069233 960431599 /nfs/dbraw/zinc/43/15/99/960431599.db2.gz ZPGQVKXYUGHZKH-MRXNPFEDSA-N 2 0 293.455 1.779 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N[C@H](C[NH2+]CCCF)C2CC2)C1 ZINC001323095185 960447174 /nfs/dbraw/zinc/44/71/74/960447174.db2.gz WCBFIALOPRQENM-TZMCWYRMSA-N 2 0 285.407 1.172 10 0 CDAERP Cc1ncc(C[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C(C)C)s1 ZINC001371468883 972523221 /nfs/dbraw/zinc/52/32/21/972523221.db2.gz BVAKCMKLXMBMPT-NSHDSACASA-N 2 0 298.456 1.386 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC001418802716 961037797 /nfs/dbraw/zinc/03/77/97/961037797.db2.gz HLAUNPLNHUFTAK-ZBFHGGJFSA-N 2 0 289.423 1.717 10 0 CDAERP CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001418836034 961077647 /nfs/dbraw/zinc/07/76/47/961077647.db2.gz VTONKFSONCJTCA-HIFRSBDPSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)N[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001419010565 961263901 /nfs/dbraw/zinc/26/39/01/961263901.db2.gz QWHIXMVTGAIWRO-KRWDZBQOSA-N 2 0 293.455 1.709 10 0 CDAERP CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1cnoc1C)[NH+](C)C ZINC001419689620 961966720 /nfs/dbraw/zinc/96/67/20/961966720.db2.gz ZOBHRHVWTRGDOI-BXUZGUMPSA-N 2 0 296.415 1.260 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@H]1C[NH2+]CC1CC1 ZINC001419834861 962145631 /nfs/dbraw/zinc/14/56/31/962145631.db2.gz BKVHKTXRIYLCJO-GDBMZVCRSA-N 2 0 295.471 1.953 10 0 CDAERP Cc1ccccc1C[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001420517442 963002108 /nfs/dbraw/zinc/00/21/08/963002108.db2.gz LYKXJIZHNYSLFY-HNNXBMFYSA-N 2 0 291.439 1.930 10 0 CDAERP C[C@H](C(=O)NC[C@@H]1CC[N@@H+]1CCCF)[NH+]1CCCCCC1 ZINC001420871138 963318939 /nfs/dbraw/zinc/31/89/39/963318939.db2.gz PWGURGCSVSNSEL-CABCVRRESA-N 2 0 299.434 1.801 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[NH2+]CC1CC1 ZINC001438300833 963411790 /nfs/dbraw/zinc/41/17/90/963411790.db2.gz HPYMIYCIHSYSIY-HUUCEWRRSA-N 2 0 281.444 1.754 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NCC2C[NH+](CC3CCCC3)C2)C1 ZINC001421182992 963487813 /nfs/dbraw/zinc/48/78/13/963487813.db2.gz VLADXPPFWAVCNR-OAHLLOKOSA-N 2 0 293.455 1.566 10 0 CDAERP C[C@@H](C[NH2+]C/C(Cl)=C\Cl)N(C)C(=O)CC[NH+](C)C ZINC001438676800 963523605 /nfs/dbraw/zinc/52/36/05/963523605.db2.gz ULMOJCZGDCNCID-VUBLIPMDSA-N 2 0 296.242 1.694 10 0 CDAERP CCC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001438931657 963605150 /nfs/dbraw/zinc/60/51/50/963605150.db2.gz HWNXTOTWILNUDK-LSDHHAIUSA-N 2 0 283.460 1.907 10 0 CDAERP C[C@@H](C[NH2+]CC1CCCC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001439268105 963695511 /nfs/dbraw/zinc/69/55/11/963695511.db2.gz GZGVDGGKALHJHL-ZFWWWQNUSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)CC1CC1 ZINC001439344195 963732056 /nfs/dbraw/zinc/73/20/56/963732056.db2.gz BPLPSCUKYRBNQL-GOEBONIOSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)CC1CC1 ZINC001439344134 963732296 /nfs/dbraw/zinc/73/22/96/963732296.db2.gz BPLPSCUKYRBNQL-GDBMZVCRSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001439816547 963867137 /nfs/dbraw/zinc/86/71/37/963867137.db2.gz RVTTZBAXOLEJGM-CABCVRRESA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)C[NH+]1CCC2(CN(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001440232127 963951150 /nfs/dbraw/zinc/95/11/50/963951150.db2.gz VSJGKRBYZLPWBK-UHFFFAOYSA-N 2 0 295.471 1.909 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1([NH2+]CCF)CCC1 ZINC001440350451 963994270 /nfs/dbraw/zinc/99/42/70/963994270.db2.gz DATQDXPMVXLGPB-CHWSQXEVSA-N 2 0 285.407 1.457 10 0 CDAERP C[C@H](NC(=O)C12CCC[NH+]1CCC2)[C@H](C)[NH2+]CC1CC1 ZINC001440801008 964188083 /nfs/dbraw/zinc/18/80/83/964188083.db2.gz DQLUOOFLTWKOEB-STQMWFEESA-N 2 0 279.428 1.508 10 0 CDAERP Cc1csc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CC[NH+](C)C)n1 ZINC001440825574 964198414 /nfs/dbraw/zinc/19/84/14/964198414.db2.gz CKEMBSOZUAQQMY-VXGBXAGGSA-N 2 0 298.456 1.386 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]([NH2+]CCC2CC2)C2CC2)C1 ZINC001441258411 964437954 /nfs/dbraw/zinc/43/79/54/964437954.db2.gz SKCACYIUTZZBIL-HUUCEWRRSA-N 2 0 279.428 1.223 10 0 CDAERP O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+]CCF)C1 ZINC001441540879 964579778 /nfs/dbraw/zinc/57/97/78/964579778.db2.gz OKGWTPWNNZQCKM-BETUJISGSA-N 2 0 271.380 1.069 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001441692845 964655400 /nfs/dbraw/zinc/65/54/00/964655400.db2.gz YUGBTZTWBBKWLK-HUUCEWRRSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]C/C=C\Cl)C[C@@H]1C ZINC001441835787 964741472 /nfs/dbraw/zinc/74/14/72/964741472.db2.gz NJYNOZQOLIHHML-AGFGORMFSA-N 2 0 287.835 1.658 10 0 CDAERP C[NH+](C)CCC(=O)NCC[N@H+](C)CCC1CCCCC1 ZINC001442504051 965095133 /nfs/dbraw/zinc/09/51/33/965095133.db2.gz RWQDLHXBIWRMRP-UHFFFAOYSA-N 2 0 283.460 1.957 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1CC[C@@H]1CCCO1 ZINC001442800068 965224536 /nfs/dbraw/zinc/22/45/36/965224536.db2.gz KZLQXUNRLXPMRK-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CO[C@@H](C)C[N@H+](C)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001443357941 965451885 /nfs/dbraw/zinc/45/18/85/965451885.db2.gz FGNXUDULYOMRQT-AWEZNQCLSA-N 2 0 299.459 1.143 10 0 CDAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]Cc1cscn1 ZINC001444412435 965825026 /nfs/dbraw/zinc/82/50/26/965825026.db2.gz VWGJCEMWUNHHFK-GFCCVEGCSA-N 2 0 296.440 1.081 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)C[NH2+]CC2CC2)C1 ZINC001445429073 966193316 /nfs/dbraw/zinc/19/33/16/966193316.db2.gz MLLGIYQXQDTHIW-UKRRQHHQSA-N 2 0 281.444 1.613 10 0 CDAERP C[NH+](C)CCC(=O)NCC1([NH2+]CC2CC(C)(C)C2)CC1 ZINC001446231910 966491651 /nfs/dbraw/zinc/49/16/51/966491651.db2.gz WGZMOCMTQGMCEL-UHFFFAOYSA-N 2 0 281.444 1.613 10 0 CDAERP CCC(CC)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001446462045 966550223 /nfs/dbraw/zinc/55/02/23/966550223.db2.gz NGSIMGLIRMBFBY-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)CCC(=O)N[C@]1(C)CCN(Cc2cscn2)C1 ZINC001446563928 966585518 /nfs/dbraw/zinc/58/55/18/966585518.db2.gz QVKSAUIODORVPN-CQSZACIVSA-N 2 0 296.440 1.175 10 0 CDAERP C[C@@]1(CNC(=O)C[NH+]2CCCC2)CCC[N@H+](CCCF)C1 ZINC001446687885 966616046 /nfs/dbraw/zinc/61/60/46/966616046.db2.gz UQVZGPRSOQYOCH-INIZCTEOSA-N 2 0 299.434 1.660 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CCCC2)CCC1 ZINC001447181124 966718319 /nfs/dbraw/zinc/71/83/19/966718319.db2.gz IHHSPPUBNWEPOW-HNNXBMFYSA-N 2 0 293.455 1.899 10 0 CDAERP CCC1([NH2+]CC(C)C)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001447432229 966786030 /nfs/dbraw/zinc/78/60/30/966786030.db2.gz YTPZMRLKDMAALX-UHFFFAOYSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@H](C)C[NH2+][C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001447514540 966804437 /nfs/dbraw/zinc/80/44/37/966804437.db2.gz DKYSWQNLJGAIPD-ZNMIVQPWSA-N 2 0 283.460 1.953 10 0 CDAERP C[N@H+](C/C=C/Cl)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001447774517 966869926 /nfs/dbraw/zinc/86/99/26/966869926.db2.gz NAIMQKDWNVGZIH-NSDHSQQOSA-N 2 0 299.846 1.756 10 0 CDAERP CC[C@H](C(=O)N(C)C1C[NH+](C[C@@H](C)CC)C1)[NH+](C)C ZINC001569493896 1169900347 /nfs/dbraw/zinc/90/03/47/1169900347.db2.gz LPIRJIAVQPUTNJ-GXTWGEPZSA-N 2 0 269.433 1.515 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)[C@H]1CCC[NH+](C(C)C)C1 ZINC001542947664 967255071 /nfs/dbraw/zinc/25/50/71/967255071.db2.gz NOTDIRSFMBACNX-AWEZNQCLSA-N 2 0 269.433 1.563 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC[N@H+](C)C2CC2)C1 ZINC001544050780 967334160 /nfs/dbraw/zinc/33/41/60/967334160.db2.gz NCJDOHKYPBNZMP-OCCSQVGLSA-N 2 0 267.417 1.317 10 0 CDAERP COC(=O)[C@@H]1[C@@H](C[NH2+]CCC[NH+]2CCCC2)C1(F)F ZINC001353585229 968079306 /nfs/dbraw/zinc/07/93/06/968079306.db2.gz SYMYOPVMVLVLBG-MNOVXSKESA-N 2 0 276.327 1.116 10 0 CDAERP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)[C@H](C)CC[NH+](C)C ZINC001456214494 968903232 /nfs/dbraw/zinc/90/32/32/968903232.db2.gz KLWYSDZJJHTTSR-CABCVRRESA-N 2 0 283.460 1.763 10 0 CDAERP CC[N@@H+]1CCC[C@@H](CNC(=[NH2+])N[C@@H](C)C2CC2)C1 ZINC001355379920 969139198 /nfs/dbraw/zinc/13/91/98/969139198.db2.gz FTRHPXFDGROOKW-RYUDHWBXSA-N 2 0 252.406 1.631 10 0 CDAERP CN(C)C(=[NH2+])NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000849043595 969429945 /nfs/dbraw/zinc/42/99/45/969429945.db2.gz WPTZIQGGNKFUQT-UHFFFAOYSA-N 2 0 290.411 1.099 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC001464824188 969822030 /nfs/dbraw/zinc/82/20/30/969822030.db2.gz FEQKHQODBDFOJV-STQMWFEESA-N 2 0 255.406 1.127 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)[C@@H](C)CC[NH+](C)C ZINC001466927232 970014965 /nfs/dbraw/zinc/01/49/65/970014965.db2.gz BILAVVPCOMOJPZ-ZDUSSCGKSA-N 2 0 257.422 1.374 10 0 CDAERP CC[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1conc1C)[NH+](C)C ZINC001371869839 972662056 /nfs/dbraw/zinc/66/20/56/972662056.db2.gz OWGUFJHCQNHMAL-BXUZGUMPSA-N 2 0 296.415 1.308 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCC2CC2)[C@@H](C)C1 ZINC001496376369 972902805 /nfs/dbraw/zinc/90/28/05/972902805.db2.gz QJBCRZXVYNUPCL-HOCLYGCPSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)[NH2+][C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C(C)C ZINC001496604033 972984881 /nfs/dbraw/zinc/98/48/81/972984881.db2.gz XBWYVUJWCIMTED-KBPBESRZSA-N 2 0 269.433 1.467 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CCC[N@@H+]1CC1CCCC1 ZINC001372562147 973018094 /nfs/dbraw/zinc/01/80/94/973018094.db2.gz BMIZVNXZDLXRET-INIZCTEOSA-N 2 0 293.455 1.853 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H]3C[NH+](C)C[C@@H]3C2)C1 ZINC001417733509 973343082 /nfs/dbraw/zinc/34/30/82/973343082.db2.gz SIEWIANRYHGYPT-KFWWJZLASA-N 2 0 279.428 1.127 10 0 CDAERP CC[NH2+]CCN(CC)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001497455162 973354529 /nfs/dbraw/zinc/35/45/29/973354529.db2.gz OGLVFPNHHCYWOO-UHFFFAOYSA-N 2 0 291.439 1.862 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001417798619 973393623 /nfs/dbraw/zinc/39/36/23/973393623.db2.gz CISXNXKTVZPKMP-XUXIUFHCSA-N 2 0 285.407 1.171 10 0 CDAERP CC[C@@H](C(=O)NC/C=C/C[NH2+]Cc1ccccn1)[NH+](C)C ZINC001497678557 973462350 /nfs/dbraw/zinc/46/23/50/973462350.db2.gz FFOBXILMWFGCKT-KIUWMYQTSA-N 2 0 290.411 1.184 10 0 CDAERP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C)cc1 ZINC001497901202 973568976 /nfs/dbraw/zinc/56/89/76/973568976.db2.gz ZDQQMPYNQVDJKC-CQSZACIVSA-N 2 0 277.412 1.541 10 0 CDAERP CC[C@@H](F)C[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001373863708 973669669 /nfs/dbraw/zinc/66/96/69/973669669.db2.gz ZIERUPSYOLQJGK-UONOGXRCSA-N 2 0 299.434 1.705 10 0 CDAERP CCCC[NH2+]C[C@@]1(C)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001569684173 1169965001 /nfs/dbraw/zinc/96/50/01/1169965001.db2.gz YEBDISHDDOZDRO-DOTOQJQBSA-N 2 0 295.471 1.957 10 0 CDAERP CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccccc1)[NH+](C)C ZINC001374316297 973886587 /nfs/dbraw/zinc/88/65/87/973886587.db2.gz WPLPVSPVTRYNHA-GOEBONIOSA-N 2 0 291.439 1.963 10 0 CDAERP CC[C@@H](C(=O)N(C)CCC[NH2+]Cc1cnc(C)o1)[NH+](C)C ZINC001498614279 973998355 /nfs/dbraw/zinc/99/83/55/973998355.db2.gz JOTKCRVVCMGQBK-AWEZNQCLSA-N 2 0 296.415 1.261 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]C(C)C)C1CC1 ZINC001498785305 974061741 /nfs/dbraw/zinc/06/17/41/974061741.db2.gz XKCKXBIJZIFBKT-HOTGVXAUSA-N 2 0 295.471 2.000 10 0 CDAERP C[C@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)Cc1c[nH]cn1 ZINC001374815459 974136529 /nfs/dbraw/zinc/13/65/29/974136529.db2.gz IWHZLUHCGBIKPL-LLVKDONJSA-N 2 0 278.400 1.483 10 0 CDAERP CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001499066160 974177992 /nfs/dbraw/zinc/17/79/92/974177992.db2.gz DLNVZTYGSKBBFK-CZUORRHYSA-N 2 0 299.434 1.799 10 0 CDAERP CC1CCC(C[N@@H+]2CC[C@H]2CNC(=O)CC[NH+](C)C)CC1 ZINC001375338734 974343997 /nfs/dbraw/zinc/34/39/97/974343997.db2.gz GFCPSGRYQXQXNO-GPANFISMSA-N 2 0 295.471 1.955 10 0 CDAERP CN(C[C@H]1CC[N@@H+]1CC1CC1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001375456713 974387403 /nfs/dbraw/zinc/38/74/03/974387403.db2.gz ICOFWZXFILCDEJ-OAHLLOKOSA-N 2 0 293.455 1.804 10 0 CDAERP CC[NH2+]C[C@]1(C)CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001375876850 974501498 /nfs/dbraw/zinc/50/14/98/974501498.db2.gz CAUYHRFTRFWKBH-INIZCTEOSA-N 2 0 293.455 1.711 10 0 CDAERP CC(C)C[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001376475343 974671328 /nfs/dbraw/zinc/67/13/28/974671328.db2.gz DISSJKFOWLQEIR-KFWWJZLASA-N 2 0 283.460 1.857 10 0 CDAERP C[NH+]1CCC(CC(=O)N[C@H]2C[C@@H]([NH2+]C/C=C/Cl)C2)CC1 ZINC001376490205 974674872 /nfs/dbraw/zinc/67/48/72/974674872.db2.gz SRDZPBIBEXTCAM-YBGBEFGJSA-N 2 0 299.846 1.708 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccn2)C1 ZINC001376516623 974679784 /nfs/dbraw/zinc/67/97/84/974679784.db2.gz UFSDTSKMXWZOKK-GASCZTMLSA-N 2 0 290.411 1.159 10 0 CDAERP CC(C)[NH2+][C@@H](C)[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001505715973 974971691 /nfs/dbraw/zinc/97/16/91/974971691.db2.gz BDBZLSZSUZTLMX-UONOGXRCSA-N 2 0 269.433 1.610 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C[C@@H](C)OC ZINC001377344316 974983065 /nfs/dbraw/zinc/98/30/65/974983065.db2.gz VLDYHPGFLAYXIW-ZNMIVQPWSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)N(C)C/C=C\Cl ZINC001505994756 975074390 /nfs/dbraw/zinc/07/43/90/975074390.db2.gz KEYRYTLTKDMUEI-JPVGGKMYSA-N 2 0 261.797 1.127 10 0 CDAERP Cc1cccnc1C[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001505993263 975075679 /nfs/dbraw/zinc/07/56/79/975075679.db2.gz SARNFHUIAQEJOH-AWEZNQCLSA-N 2 0 292.427 1.278 10 0 CDAERP COCC[N@H+](C)[C@@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001506014915 975084759 /nfs/dbraw/zinc/08/47/59/975084759.db2.gz KZSMKXNMTUPLFV-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)NCc1nocc1C ZINC001377885558 975165957 /nfs/dbraw/zinc/16/59/57/975165957.db2.gz SQIXTFKULYEVFI-STQMWFEESA-N 2 0 296.415 1.308 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH+](C)CC1CCC1 ZINC001378118489 975249141 /nfs/dbraw/zinc/24/91/41/975249141.db2.gz KJSSVNMEBUTNNA-ZFWWWQNUSA-N 2 0 281.444 1.707 10 0 CDAERP CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001378140179 975257127 /nfs/dbraw/zinc/25/71/27/975257127.db2.gz AYIQKYBCPODGNC-KBPBESRZSA-N 2 0 287.423 1.609 10 0 CDAERP C[C@@H](F)CC[N@H+](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001506961449 975275981 /nfs/dbraw/zinc/27/59/81/975275981.db2.gz QVVOILHVVKQDMZ-CYBMUJFWSA-N 2 0 287.423 1.609 10 0 CDAERP CC[C@H](C(=O)NC[C@H](CC)[NH2+]Cc1cnoc1C)[NH+](C)C ZINC001378260260 975312058 /nfs/dbraw/zinc/31/20/58/975312058.db2.gz GMKOJBFCJLVCAQ-UONOGXRCSA-N 2 0 296.415 1.308 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CC2CCC2)C[C@@H]1C ZINC001507339946 975422906 /nfs/dbraw/zinc/42/29/06/975422906.db2.gz OMHVIPRUPDUKJG-ZFWWWQNUSA-N 2 0 281.444 1.706 10 0 CDAERP C[N@H+](C/C=C/Cl)C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001404590599 975429554 /nfs/dbraw/zinc/42/95/54/975429554.db2.gz QBOCUBURNKFYHW-YVARQFDVSA-N 2 0 299.846 1.615 10 0 CDAERP CC1CC[NH+](CC(=O)N[C@@H]2CC[C@H](C[NH2+]CCF)C2)CC1 ZINC001507413963 975460077 /nfs/dbraw/zinc/46/00/77/975460077.db2.gz CTQTWCIVIYCZGD-LSDHHAIUSA-N 2 0 299.434 1.562 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001378842935 975515260 /nfs/dbraw/zinc/51/52/60/975515260.db2.gz KYJJHADWLOKYTM-KBPBESRZSA-N 2 0 281.444 1.565 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH+](C)C(C)C ZINC001507639631 975518044 /nfs/dbraw/zinc/51/80/44/975518044.db2.gz KWZIFBLYYBZMNL-CABCVRRESA-N 2 0 299.459 1.020 10 0 CDAERP Cc1oncc1C[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+](C)C(C)C ZINC001378863666 975523065 /nfs/dbraw/zinc/52/30/65/975523065.db2.gz XVBAGLUCKMYMEP-GFCCVEGCSA-N 2 0 296.415 1.260 10 0 CDAERP CC(C)[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001401265383 975552700 /nfs/dbraw/zinc/55/27/00/975552700.db2.gz GNRYLHSEAXLYDI-HUUCEWRRSA-N 2 0 283.460 1.952 10 0 CDAERP CC(C)[N@H+]1CC=C(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001508230780 975645071 /nfs/dbraw/zinc/64/50/71/975645071.db2.gz UIQSPQAVVRYERE-UHFFFAOYSA-N 2 0 265.401 1.239 10 0 CDAERP CC(C)OCC[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)C(C)C ZINC001397584689 975645746 /nfs/dbraw/zinc/64/57/46/975645746.db2.gz VPMFHAKBRJTRIZ-HNNXBMFYSA-N 2 0 299.459 1.284 10 0 CDAERP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]C/C=C/Cl ZINC001379130636 975683029 /nfs/dbraw/zinc/68/30/29/975683029.db2.gz LCZXVTRGQQQYCD-AIIKUZRDSA-N 2 0 287.835 1.516 10 0 CDAERP CC(C)[NH2+][C@@H]1CC[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001397730957 975693665 /nfs/dbraw/zinc/69/36/65/975693665.db2.gz SHGOLQNVBNXISC-SOUVJXGZSA-N 2 0 281.444 1.611 10 0 CDAERP CC[C@H](C(=O)NC[C@H](CC)[NH2+]Cc1cncs1)[NH+](C)C ZINC001405270236 975699765 /nfs/dbraw/zinc/69/97/65/975699765.db2.gz QZGFLWLZKSPFIU-WCQYABFASA-N 2 0 298.456 1.468 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCCCC[C@H]([NH2+]C[C@@H](C)O)C1 ZINC001397782441 975716579 /nfs/dbraw/zinc/71/65/79/975716579.db2.gz ZXVNFKOCFPZGMS-CABCVRRESA-N 2 0 299.459 1.070 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C[NH2+]C[C@@H]1CC(C)(C)CO1)[NH+](C)C ZINC001379381016 975808357 /nfs/dbraw/zinc/80/83/57/975808357.db2.gz CBLCMDOINKZWHR-HZSPNIEDSA-N 2 0 299.459 1.236 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC001389455997 975841828 /nfs/dbraw/zinc/84/18/28/975841828.db2.gz GFKCOAJYCYZYBT-HUUCEWRRSA-N 2 0 279.428 1.461 10 0 CDAERP CC(C)CC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001405995468 975955464 /nfs/dbraw/zinc/95/54/64/975955464.db2.gz MTROPNRLXSJJEF-GJZGRUSLSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1CCC(C)(C)C ZINC001401924159 976011745 /nfs/dbraw/zinc/01/17/45/976011745.db2.gz LQTKABUODWYOSG-AWEZNQCLSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCN(C)C(=O)C[NH+](C)C1CCC1 ZINC001406100745 976028597 /nfs/dbraw/zinc/02/85/97/976028597.db2.gz AKLXLOAVEAZJRK-CYBMUJFWSA-N 2 0 287.423 1.609 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001389908942 976039716 /nfs/dbraw/zinc/03/97/16/976039716.db2.gz QYPONFHSJHJDIW-KKUMJFAQSA-N 2 0 299.434 1.847 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC001389986463 976073686 /nfs/dbraw/zinc/07/36/86/976073686.db2.gz IYLMYYBIQAGOJI-TXEJJXNPSA-N 2 0 289.370 1.220 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001398612666 976073795 /nfs/dbraw/zinc/07/37/95/976073795.db2.gz DCUWOHKSHZCTLA-RWMBFGLXSA-N 2 0 285.407 1.313 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@@H]21 ZINC001406200913 976092891 /nfs/dbraw/zinc/09/28/91/976092891.db2.gz XXXRMDWZCPAGDJ-GJZGRUSLSA-N 2 0 281.444 1.517 10 0 CDAERP CCC[N@H+](C)CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001379999784 976176442 /nfs/dbraw/zinc/17/64/42/976176442.db2.gz CCICHVGWOZAHMS-MRXNPFEDSA-N 2 0 295.471 1.907 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccsc1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001406485833 976221426 /nfs/dbraw/zinc/22/14/26/976221426.db2.gz NLNXYZHNEBSPGH-JSGCOSHPSA-N 2 0 295.452 1.827 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]([NH2+]CCC2CC2)C2CC2)C1 ZINC001402321384 976234920 /nfs/dbraw/zinc/23/49/20/976234920.db2.gz DTFABTIZTHKDHD-CJNGLKHVSA-N 2 0 293.455 1.613 10 0 CDAERP CC[C@H](F)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001380134818 976257667 /nfs/dbraw/zinc/25/76/67/976257667.db2.gz PUUCFDZOQPPENP-IHRRRGAJSA-N 2 0 299.434 1.703 10 0 CDAERP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CCC(C)(C)C ZINC001390516373 976345388 /nfs/dbraw/zinc/34/53/88/976345388.db2.gz XXHCVABANGBYCG-KBPBESRZSA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)C[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C1CCCC1 ZINC001380323614 976349099 /nfs/dbraw/zinc/34/90/99/976349099.db2.gz MZWKPTSKSHRROF-HNNXBMFYSA-N 2 0 283.460 1.859 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H]2C[N@H+](CCF)CC[C@H]21 ZINC001402598020 976386159 /nfs/dbraw/zinc/38/61/59/976386159.db2.gz ZKIOGABKUHACCU-ZIAGYGMSSA-N 2 0 285.407 1.221 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]CC2CC2)C1 ZINC001399267858 976403205 /nfs/dbraw/zinc/40/32/05/976403205.db2.gz ATOOICSETJSFHE-CABCVRRESA-N 2 0 281.444 1.754 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001402686607 976442992 /nfs/dbraw/zinc/44/29/92/976442992.db2.gz JFERQIUCBRXBMI-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001407021570 976515627 /nfs/dbraw/zinc/51/56/27/976515627.db2.gz AAHDGVIOVPGFTR-GDBMZVCRSA-N 2 0 299.434 1.611 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001380692128 976517444 /nfs/dbraw/zinc/51/74/44/976517444.db2.gz SWOFDQIPCBNMIP-LSDHHAIUSA-N 2 0 281.444 1.422 10 0 CDAERP CC[N@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)CCC(C)C ZINC001390965204 976624610 /nfs/dbraw/zinc/62/46/10/976624610.db2.gz WCFVQNXSCKFQNK-OAHLLOKOSA-N 2 0 283.460 1.812 10 0 CDAERP CC[NH2+]C1(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CCOCC1 ZINC001407310014 976636046 /nfs/dbraw/zinc/63/60/46/976636046.db2.gz ONBJWCPWZAFACA-KBPBESRZSA-N 2 0 297.443 1.134 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]CCCF)C1 ZINC001569824438 1170005807 /nfs/dbraw/zinc/00/58/07/1170005807.db2.gz QZUKZTHFOWFEHF-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1ccccc1F ZINC001403170654 976783677 /nfs/dbraw/zinc/78/36/77/976783677.db2.gz SXYIUIQZOSLFTR-ZDUSSCGKSA-N 2 0 295.402 1.760 10 0 CDAERP CCCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@H+](CC)C1 ZINC001391271171 976787519 /nfs/dbraw/zinc/78/75/19/976787519.db2.gz GSZNMVAFUAFWPQ-JKSUJKDBSA-N 2 0 293.455 1.661 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CCCF)C1 ZINC001391323025 976812957 /nfs/dbraw/zinc/81/29/57/976812957.db2.gz WOZCMXYTFZGUFY-GJZGRUSLSA-N 2 0 299.434 1.659 10 0 CDAERP CCCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCCF)C1 ZINC001400145832 976889553 /nfs/dbraw/zinc/88/95/53/976889553.db2.gz JZAIMKJVTNFXEL-HUUCEWRRSA-N 2 0 299.434 1.611 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1C[NH+](CC2CCC2)C1 ZINC001391521818 976929440 /nfs/dbraw/zinc/92/94/40/976929440.db2.gz FJTOYEDOAPZZGQ-ZIAGYGMSSA-N 2 0 293.455 1.707 10 0 CDAERP C[N@H+](CCF)C[C@@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001400228938 976940009 /nfs/dbraw/zinc/94/00/09/976940009.db2.gz NPBVAWNJWGIXIP-KGLIPLIRSA-N 2 0 285.407 1.078 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC(C[N@H+](C)CCF)CC1 ZINC001400239494 976945446 /nfs/dbraw/zinc/94/54/46/976945446.db2.gz BQUTZCUTLMSACG-UHFFFAOYSA-N 2 0 273.396 1.078 10 0 CDAERP CC(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001403431856 976950172 /nfs/dbraw/zinc/95/01/72/976950172.db2.gz YIBLGPBBDFVBCQ-PHZGNYQRSA-N 2 0 295.471 1.667 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1CCC[NH+](CCCF)C1 ZINC001400295544 976972670 /nfs/dbraw/zinc/97/26/70/976972670.db2.gz MAJUYGXKXFANTC-GJZGRUSLSA-N 2 0 299.434 1.801 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cncs1 ZINC001403528415 977032057 /nfs/dbraw/zinc/03/20/57/977032057.db2.gz PZICNTKAUUTTRY-WCQYABFASA-N 2 0 296.440 1.174 10 0 CDAERP CC(C)[C@@H](C(=O)NCC1C[NH+](CC[C@@H](C)F)C1)[NH+](C)C ZINC001400503114 977065475 /nfs/dbraw/zinc/06/54/75/977065475.db2.gz NBIJXGRMHUSCCL-OCCSQVGLSA-N 2 0 287.423 1.369 10 0 CDAERP CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC1CCCC1 ZINC001391745066 977079482 /nfs/dbraw/zinc/07/94/82/977079482.db2.gz TVIIRMHVAKPCJQ-OAHLLOKOSA-N 2 0 293.455 1.757 10 0 CDAERP CC[C@H](F)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001381928965 977083231 /nfs/dbraw/zinc/08/32/31/977083231.db2.gz SSAPNKBKQLNTPS-ZQDZILKHSA-N 2 0 297.418 1.124 10 0 CDAERP CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001381963455 977102876 /nfs/dbraw/zinc/10/28/76/977102876.db2.gz ZCNYHTPQOWERPH-JHJVBQTASA-N 2 0 273.396 1.171 10 0 CDAERP CC[NH2+][C@H](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)C ZINC001381999332 977115527 /nfs/dbraw/zinc/11/55/27/977115527.db2.gz FQUXPNFKAJWNNF-ZIAGYGMSSA-N 2 0 271.449 1.713 10 0 CDAERP CC[C@H](F)CN(C)CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001392323091 977408694 /nfs/dbraw/zinc/40/86/94/977408694.db2.gz RTGFMDJNMASUMM-UONOGXRCSA-N 2 0 289.439 1.711 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CCCF)C1 ZINC001392351471 977418833 /nfs/dbraw/zinc/41/88/33/977418833.db2.gz SYNWYDMJCNBJMX-KGLIPLIRSA-N 2 0 285.407 1.221 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1cccc(C)c1)[NH+](C)C ZINC001392607746 977502563 /nfs/dbraw/zinc/50/25/63/977502563.db2.gz CZOPYMLIQXCEOQ-GOEBONIOSA-N 2 0 291.439 1.930 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001392831585 977618035 /nfs/dbraw/zinc/61/80/35/977618035.db2.gz GUNPVMRVOJMLEL-OWCLPIDISA-N 2 0 295.471 1.953 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CC[NH+]2CC2CCCC2)C1 ZINC001392876395 977635711 /nfs/dbraw/zinc/63/57/11/977635711.db2.gz XAUXYMPLNAHEGB-CVEARBPZSA-N 2 0 293.455 1.709 10 0 CDAERP C[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)CC1CCC1 ZINC001492816302 977647645 /nfs/dbraw/zinc/64/76/45/977647645.db2.gz FZAOUQPIRAGQAI-AWEZNQCLSA-N 2 0 267.417 1.176 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cc(C)no1 ZINC001394003238 978001881 /nfs/dbraw/zinc/00/18/81/978001881.db2.gz RWSMZXLVSHCXRG-CHWSQXEVSA-N 2 0 296.415 1.308 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH+](C)CC1CCC1 ZINC001394073858 978051826 /nfs/dbraw/zinc/05/18/26/978051826.db2.gz KJSSVNMEBUTNNA-DZGCQCFKSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)CN(C)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001394559973 978202499 /nfs/dbraw/zinc/20/24/99/978202499.db2.gz XZQMBNZIKBJRSI-RDJZCZTQSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCC(F)(F)F ZINC001394561471 978204506 /nfs/dbraw/zinc/20/45/06/978204506.db2.gz XALBGAXOJGNGFV-WDEREUQCSA-N 2 0 295.349 1.327 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001674142328 1173917823 /nfs/dbraw/zinc/91/78/23/1173917823.db2.gz QSJQZDUVUXLWHI-KBPBESRZSA-N 2 0 269.433 1.563 10 0 CDAERP CCCC[NH2+][C@H](C)[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001674747660 1174003423 /nfs/dbraw/zinc/00/34/23/1174003423.db2.gz JMNKKXJBTAKLGZ-KGLIPLIRSA-N 2 0 299.459 1.380 10 0 CDAERP CC/C=C/CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001676318917 1174207531 /nfs/dbraw/zinc/20/75/31/1174207531.db2.gz VPYYDQZDYDYJMM-WLBISTCBSA-N 2 0 281.444 1.873 10 0 CDAERP CC(C)[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001676368708 1174216199 /nfs/dbraw/zinc/21/61/99/1174216199.db2.gz JLJOZSOQCWRHCY-CHWSQXEVSA-N 2 0 255.406 1.316 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CCCF)C(C)(C)C ZINC001677271491 1174343050 /nfs/dbraw/zinc/34/30/50/1174343050.db2.gz GFGFZGOXWYXEFQ-CHWSQXEVSA-N 2 0 287.423 1.561 10 0 CDAERP CCC[N@H+](C)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001570747716 1170266224 /nfs/dbraw/zinc/26/62/24/1170266224.db2.gz LEEKIWBJROBGIP-CHWSQXEVSA-N 2 0 255.406 1.175 10 0 CDAERP CCCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001571597053 1170487636 /nfs/dbraw/zinc/48/76/36/1170487636.db2.gz FBDILJAWRRKQPK-GJZGRUSLSA-N 2 0 299.459 1.070 10 0 CDAERP CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1OCC ZINC001656505204 1171833650 /nfs/dbraw/zinc/83/36/50/1171833650.db2.gz DXSLBTXTPGOXSU-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP O=C(N[C@H]1CCC[NH2+]C1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000334925468 303956469 /nfs/dbraw/zinc/95/64/69/303956469.db2.gz TUQGCACIEKSCAE-GJZGRUSLSA-N 2 0 294.443 1.398 10 0 CDAERP C/C=C/C[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)CC)C1 ZINC000626163556 342477285 /nfs/dbraw/zinc/47/72/85/342477285.db2.gz MGFGWVITZVDWLC-WBNAFJIESA-N 2 0 254.418 1.977 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000589213248 342500373 /nfs/dbraw/zinc/50/03/73/342500373.db2.gz QNZUMYMDCPVUCR-CHWSQXEVSA-N 2 0 270.421 1.110 10 0 CDAERP CC(C)C[NH2+]C[C@H](O)CO[C@@H]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000675079993 539085840 /nfs/dbraw/zinc/08/58/40/539085840.db2.gz KMDPRMMJNNVBMA-XQLPTFJDSA-N 2 0 270.417 1.140 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)NCCCCn2ccnc2)C1 ZINC000618559315 349484036 /nfs/dbraw/zinc/48/40/36/349484036.db2.gz SNLNSODVYGEVCR-CYBMUJFWSA-N 2 0 279.388 1.057 10 0 CDAERP C[NH2+]Cc1ccccc1C[NH2+]Cc1cnc2cnccn12 ZINC000650719137 398159357 /nfs/dbraw/zinc/15/93/57/398159357.db2.gz FFKIWVMKYLZMPI-UHFFFAOYSA-N 2 0 281.363 1.739 10 0 CDAERP COC[C@H](C)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000650723595 398162054 /nfs/dbraw/zinc/16/20/54/398162054.db2.gz QNLLVLHFUQOCFQ-KBUPBQIOSA-N 2 0 270.417 1.630 10 0 CDAERP CC(C)(C)[NH2+]CCN1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000650725041 398164830 /nfs/dbraw/zinc/16/48/30/398164830.db2.gz RWBKWXJDXAZUIJ-RRFJBIMHSA-N 2 0 283.460 1.735 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCCc2c1ccc(=O)n2C ZINC000650764587 398184677 /nfs/dbraw/zinc/18/46/77/398184677.db2.gz DWZMZFLZEHSLJI-GVXVVHGQSA-N 2 0 263.385 1.478 10 0 CDAERP CC[NH+]1CCC([NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)CC1 ZINC000367125700 361767618 /nfs/dbraw/zinc/76/76/18/361767618.db2.gz HSGFNSZLGGPBLM-GOEBONIOSA-N 2 0 296.455 1.628 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]CCN2CC[C@H](O)C2)CC(C)(C)C1 ZINC000623836971 342045981 /nfs/dbraw/zinc/04/59/81/342045981.db2.gz RTKLBOUVAYTMRL-MJBXVCDLSA-N 2 0 254.418 1.857 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000092629789 342061167 /nfs/dbraw/zinc/06/11/67/342061167.db2.gz BPZYNFNXVUHKHN-UONOGXRCSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)[N@H+](C)CC1CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC000533409217 282119029 /nfs/dbraw/zinc/11/90/29/282119029.db2.gz MHKOUOYNETXKLP-CQSZACIVSA-N 2 0 267.417 1.317 10 0 CDAERP [NH3+]C[C@H]1C[NH2+]C[C@H]1c1ccccc1Br ZINC000096884142 185120353 /nfs/dbraw/zinc/12/03/53/185120353.db2.gz ZRSIULKZJVGMDI-WCBMZHEXSA-N 2 0 255.159 1.711 10 0 CDAERP COc1ccsc1CNCC1([NH3+])CCOCC1 ZINC000629388656 361892698 /nfs/dbraw/zinc/89/26/98/361892698.db2.gz RITKSUYZALYJAW-UHFFFAOYSA-N 2 0 256.371 1.354 10 0 CDAERP c1ccc(C[N@H+]2CCC[C@@H](CNC3=[NH+]CCCN3)C2)cc1 ZINC000395082159 342197079 /nfs/dbraw/zinc/19/70/79/342197079.db2.gz ATHUUIPKZSPTMM-INIZCTEOSA-N 2 0 286.423 1.838 10 0 CDAERP COc1ccccc1C[C@@H](C)[NH2+]CCOCCC[NH3+] ZINC000629398159 361930390 /nfs/dbraw/zinc/93/03/90/361930390.db2.gz NTPHEKGTNXUJNS-CYBMUJFWSA-N 2 0 266.385 1.581 10 0 CDAERP CC[C@H](Cc1ccccc1)[NH2+]CCOCCC[NH3+] ZINC000629398179 361930668 /nfs/dbraw/zinc/93/06/68/361930668.db2.gz OEVNDCNCVQWKQY-OAHLLOKOSA-N 2 0 250.386 1.963 10 0 CDAERP Cc1cccc(-c2n[nH]cc2C[NH2+]CCOCCC[NH3+])c1 ZINC000629398711 361931412 /nfs/dbraw/zinc/93/14/12/361931412.db2.gz GVJLYNYLPNZCAQ-UHFFFAOYSA-N 2 0 288.395 1.840 10 0 CDAERP Cc1ccc2ncc(C[NH2+]CCOCCC[NH3+])n2c1 ZINC000629400354 361938052 /nfs/dbraw/zinc/93/80/52/361938052.db2.gz VGFSPUNNGHJIQE-UHFFFAOYSA-N 2 0 262.357 1.098 10 0 CDAERP CO[C@H]1CCC[C@@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)C1 ZINC000234837733 539043915 /nfs/dbraw/zinc/04/39/15/539043915.db2.gz NHOBYCMSOQKLJP-CABCVRRESA-N 2 0 283.460 1.560 10 0 CDAERP CC(C)CN1CC[NH+]([C@@H]2CCC[C@H](C[NH3+])C2)CC1 ZINC000675053925 539069263 /nfs/dbraw/zinc/06/92/63/539069263.db2.gz PYANIKQKXQLVIW-LSDHHAIUSA-N 2 0 253.434 1.778 10 0 CDAERP CCOC(=O)[C@H](CC)[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000600753311 342248233 /nfs/dbraw/zinc/24/82/33/342248233.db2.gz BEZXTVBEYFEXRO-CABCVRRESA-N 2 0 298.427 1.419 10 0 CDAERP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)[C@H]1CCCCO1 ZINC000623853988 342261653 /nfs/dbraw/zinc/26/16/53/342261653.db2.gz NXXDTYIMJVSILE-HUUCEWRRSA-N 2 0 269.433 1.171 10 0 CDAERP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)[C@@H]1C ZINC000594509058 342914979 /nfs/dbraw/zinc/91/49/79/342914979.db2.gz HKGWQDNRNUUIEL-MRLBHPIUSA-N 2 0 282.428 1.894 10 0 CDAERP CC(C)[C@@H]1CC[C@H]1[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000353503737 539098235 /nfs/dbraw/zinc/09/82/35/539098235.db2.gz PDOHSJKHLSXFHY-QLFBSQMISA-N 2 0 253.434 1.647 10 0 CDAERP CCN(C(=O)CC[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](C)C1 ZINC000622138021 342253335 /nfs/dbraw/zinc/25/33/35/342253335.db2.gz CMMWCVPYMCYBJN-LSDHHAIUSA-N 2 0 281.444 1.804 10 0 CDAERP CCN1CCO[C@@H](C[NH2+]C[C@@H]2CCOc3ccccc32)C1 ZINC000159079300 539113451 /nfs/dbraw/zinc/11/34/51/539113451.db2.gz RTTFXOATCGWTIP-GJZGRUSLSA-N 2 0 290.407 1.863 10 0 CDAERP CSC[C@](C)(O)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000594922027 342987667 /nfs/dbraw/zinc/98/76/67/342987667.db2.gz OEIWPYXRFJTEPA-CQSZACIVSA-N 2 0 292.408 1.471 10 0 CDAERP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)c2ccccc12 ZINC000263144051 362025338 /nfs/dbraw/zinc/02/53/38/362025338.db2.gz COLCHILLJZPGFY-CZUORRHYSA-N 2 0 286.375 1.518 10 0 CDAERP O=C(c1ccc2c[nH+]cn2c1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000645110516 362126356 /nfs/dbraw/zinc/12/63/56/362126356.db2.gz DNGUXHHICMUQCA-CZUORRHYSA-N 2 0 298.390 1.939 10 0 CDAERP CCC(CC)[C@@H](CNC(=O)CC[C@H](C)[NH3+])[NH+]1CCOCC1 ZINC000193294581 282235729 /nfs/dbraw/zinc/23/57/29/282235729.db2.gz YWOCHFZCMQBSHO-DZGCQCFKSA-N 2 0 299.459 1.367 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H]1CCCc2nc(C)sc21 ZINC000629528847 362155464 /nfs/dbraw/zinc/15/54/64/362155464.db2.gz KYBWLGIGAYOSRI-NSHDSACASA-N 2 0 269.414 1.655 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000085290527 342382583 /nfs/dbraw/zinc/38/25/83/342382583.db2.gz PUPWZHXNFLODNQ-UONOGXRCSA-N 2 0 283.460 1.953 10 0 CDAERP CCO[C@@H](C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)C1CC1 ZINC000629533162 362170384 /nfs/dbraw/zinc/17/03/84/362170384.db2.gz KYWHRVFIKDHRNR-CABCVRRESA-N 2 0 282.428 1.489 10 0 CDAERP Cc1nocc1C[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000645155447 362183236 /nfs/dbraw/zinc/18/32/36/362183236.db2.gz YPLKILBLHIYDMY-CQSZACIVSA-N 2 0 278.400 1.241 10 0 CDAERP CCC(O)(CC)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000165218218 282311592 /nfs/dbraw/zinc/31/15/92/282311592.db2.gz XYVUKTPVSLQYFR-KGLIPLIRSA-N 2 0 254.418 1.954 10 0 CDAERP C[C@@H](C(=O)N1CCC[C@@H]1C[NH+](C)C)[NH+]1CCCCCC1 ZINC000362511905 295728840 /nfs/dbraw/zinc/72/88/40/295728840.db2.gz IIWBBXXXAVVBBT-LSDHHAIUSA-N 2 0 281.444 1.804 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)c2ccc(Cn3ccnc3)cc2)C1 ZINC000617414998 345514119 /nfs/dbraw/zinc/51/41/19/345514119.db2.gz WPQXQRFWTRCXRT-INIZCTEOSA-N 2 0 298.390 1.755 10 0 CDAERP C[NH+](C)Cc1ccccc1CNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000079520074 362661084 /nfs/dbraw/zinc/66/10/84/362661084.db2.gz GUOFYXWDKRNYMB-INIZCTEOSA-N 2 0 275.396 1.507 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)NCCC[NH+](C)C)CC1 ZINC000608615298 345800083 /nfs/dbraw/zinc/80/00/83/345800083.db2.gz LNAMZCADZSSOSX-UHFFFAOYSA-N 2 0 284.448 1.359 10 0 CDAERP c1cc(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000623754157 345980330 /nfs/dbraw/zinc/98/03/30/345980330.db2.gz KHIDAHYTLLIOHU-BBRMVZONSA-N 2 0 284.363 1.924 10 0 CDAERP CC(C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)N1CCOCC1 ZINC000623345420 346072835 /nfs/dbraw/zinc/07/28/35/346072835.db2.gz BUCNMLUBWGNMOO-CVEARBPZSA-N 2 0 297.487 1.806 10 0 CDAERP CC(C)COC[C@@H](O)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623373906 346108981 /nfs/dbraw/zinc/10/89/81/346108981.db2.gz PPJUGBDJEHLCRG-KGLIPLIRSA-N 2 0 272.433 1.482 10 0 CDAERP Cc1nc2n(n1)C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)CC2 ZINC000623396824 346154335 /nfs/dbraw/zinc/15/43/35/346154335.db2.gz CXYAVGSISLJVBL-STQMWFEESA-N 2 0 277.416 1.364 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CCN2CCOCC2(C)C)CC1(C)C ZINC000623399263 346156115 /nfs/dbraw/zinc/15/61/15/346156115.db2.gz DPLHJUJHRUEIFZ-CQSZACIVSA-N 2 0 283.460 1.560 10 0 CDAERP C[NH+]1CC[C@H](NC[C@H]2CCC[N@@H+](C)C2)CC1(C)C ZINC000623410997 346250238 /nfs/dbraw/zinc/25/02/38/346250238.db2.gz PKJVDGXKANSWRW-KGLIPLIRSA-N 2 0 253.434 1.791 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000085369740 179039837 /nfs/dbraw/zinc/03/98/37/179039837.db2.gz KNLRNYWVRKBJRS-ZIAGYGMSSA-N 2 0 267.417 1.447 10 0 CDAERP CC1(C)CC(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])CC(C)(C)[NH2+]1 ZINC000085370878 179041060 /nfs/dbraw/zinc/04/10/60/179041060.db2.gz DWYZMDGODWPZKK-CHWSQXEVSA-N 2 0 281.444 1.929 10 0 CDAERP O=C1NCCCC[C@H]1[N@@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403488 179052843 /nfs/dbraw/zinc/05/28/43/179052843.db2.gz YVEKDVYKNLAOBY-HZPDHXFCSA-N 2 0 293.455 1.899 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C2C[NH2+]C2)C1 ZINC000263296868 362713632 /nfs/dbraw/zinc/71/36/32/362713632.db2.gz MMRNUGJYAJSKFW-BETUJISGSA-N 2 0 267.417 1.080 10 0 CDAERP CC1(C)C[NH2+][C@@H]1C(=O)NC1CCN(c2ccccn2)CC1 ZINC000645502354 362722269 /nfs/dbraw/zinc/72/22/69/362722269.db2.gz OVYOUJHZRCOKRN-CQSZACIVSA-N 2 0 288.395 1.165 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000584778754 346431216 /nfs/dbraw/zinc/43/12/16/346431216.db2.gz XTWRGZPSALNOEX-SNVBAGLBSA-N 2 0 250.346 1.209 10 0 CDAERP CC[N@H+](C)CCn1c2c(nc1C(C)(C)C)C[NH2+]CC2 ZINC000085571002 179096166 /nfs/dbraw/zinc/09/61/66/179096166.db2.gz WYXMTFUCCWOOLQ-UHFFFAOYSA-N 2 0 264.417 1.778 10 0 CDAERP C[NH+](C)CCCn1c2c(nc1C(C)(C)C)C[NH2+]CC2 ZINC000085569029 179096447 /nfs/dbraw/zinc/09/64/47/179096447.db2.gz BOVHUAJGHIIOBD-UHFFFAOYSA-N 2 0 264.417 1.778 10 0 CDAERP COCCC[N@@H+]1CCC[NH2+][C@H](Cc2ccccc2)C1 ZINC000085608605 179101551 /nfs/dbraw/zinc/10/15/51/179101551.db2.gz ZTZWWPKOUPNRQU-MRXNPFEDSA-N 2 0 262.397 1.930 10 0 CDAERP CN(C(=O)N[C@@H]1CC12CC[NH2+]CC2)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000612968771 347347487 /nfs/dbraw/zinc/34/74/87/347347487.db2.gz BMEXGACDNTVWJQ-ZIAGYGMSSA-N 2 0 292.427 1.007 10 0 CDAERP CCC[C@@H]1CN(C[C@@H]2CC[N@@H+](C(C)C)C2)CC[NH2+]1 ZINC000086146557 179238514 /nfs/dbraw/zinc/23/85/14/179238514.db2.gz ASLUKCSQKJZIMU-LSDHHAIUSA-N 2 0 253.434 1.791 10 0 CDAERP CC(C)[C@@H]1C[NH2+][C@H](C)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086173857 179244499 /nfs/dbraw/zinc/24/44/99/179244499.db2.gz IHCBVJMAVOBRKN-YUELXQCFSA-N 2 0 251.418 1.541 10 0 CDAERP C[NH+](C)CCCCN1CC[NH2+]C2(CCCCC2)C1 ZINC000086146694 179238820 /nfs/dbraw/zinc/23/88/20/179238820.db2.gz XMAASBORELURNQ-UHFFFAOYSA-N 2 0 253.434 1.936 10 0 CDAERP C[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086182523 179247903 /nfs/dbraw/zinc/24/79/03/179247903.db2.gz PQZGRMDCZQMTJW-DAXOMENPSA-N 2 0 263.429 1.543 10 0 CDAERP CC[C@H]1C[NH2+]C2(CCCC2)CN1CCC[NH+](C)C ZINC000086217742 179249520 /nfs/dbraw/zinc/24/95/20/179249520.db2.gz SLFQPQNSYNAIDN-AWEZNQCLSA-N 2 0 253.434 1.935 10 0 CDAERP CN(C)c1nccc(CN[C@H]2CC[N@H+](C)C(C)(C)C2)n1 ZINC000623484058 347598497 /nfs/dbraw/zinc/59/84/97/347598497.db2.gz BTZDQNADFFOREP-LBPRGKRZSA-N 2 0 277.416 1.505 10 0 CDAERP C[N@@H+]1CC[C@H](NC2CC[NH+]([C@H]3CCOC3)CC2)CC1(C)C ZINC000623572944 347640237 /nfs/dbraw/zinc/64/02/37/347640237.db2.gz RVOXCRRJQRFLBR-HOTGVXAUSA-N 2 0 295.471 1.702 10 0 CDAERP CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000669530082 482597071 /nfs/dbraw/zinc/59/70/71/482597071.db2.gz PQFRMEUKRBEFCU-MCIONIFRSA-N 2 0 282.432 1.158 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000629536882 362950957 /nfs/dbraw/zinc/95/09/57/362950957.db2.gz IRHANZOVVSTPAB-CQSZACIVSA-N 2 0 282.359 1.994 10 0 CDAERP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCOCCC[NH3+] ZINC000629536692 362951192 /nfs/dbraw/zinc/95/11/92/362951192.db2.gz GWXJKQIAZJMPLT-HIFRSBDPSA-N 2 0 266.385 1.718 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1c2ccccc2C(=O)N1C ZINC000629536774 362951272 /nfs/dbraw/zinc/95/12/72/362951272.db2.gz IWPFXMWWXNKHRS-WFASDCNBSA-N 2 0 291.395 1.157 10 0 CDAERP COc1ccsc1[C@@H](C)[NH2+]CCOCCC[NH3+] ZINC000629541048 362963339 /nfs/dbraw/zinc/96/33/39/362963339.db2.gz WWOGDYPPGVEIIY-SNVBAGLBSA-N 2 0 258.387 1.773 10 0 CDAERP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000333295438 362970750 /nfs/dbraw/zinc/97/07/50/362970750.db2.gz PHRFEXPNFGURFF-XHJNMGKDSA-N 2 0 267.417 1.206 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC[C@@H](O)C[NH+]1CCCC1 ZINC000629558985 363001370 /nfs/dbraw/zinc/00/13/70/363001370.db2.gz BSFVCCIERCLBDS-BZUAXINKSA-N 2 0 283.460 1.296 10 0 CDAERP CCC[NH+]1CCC(C[NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000629558965 363001820 /nfs/dbraw/zinc/00/18/20/363001820.db2.gz OLLSGMJMEAVABF-INIZCTEOSA-N 3 0 283.460 1.155 10 0 CDAERP CC1(C)OCC[C@H]1[NH2+]CCC[NH2+][C@H]1CCOC1(C)C ZINC000451241580 363004017 /nfs/dbraw/zinc/00/40/17/363004017.db2.gz JRBSRAFWIKPMSS-BETUJISGSA-N 2 0 270.417 1.691 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)CCc1ccc(C)cc1 ZINC000629570237 363016141 /nfs/dbraw/zinc/01/61/41/363016141.db2.gz ASWWOVCZHMNVRX-UHFFFAOYSA-N 2 0 250.386 1.705 10 0 CDAERP C[C@H](C[NH2+][C@@H](C)[C@H]1CCCCO1)CN1CC[NH+](C)CC1 ZINC000623886633 351318356 /nfs/dbraw/zinc/31/83/56/351318356.db2.gz HOSYUXVTDOSRPD-OWCLPIDISA-N 2 0 283.460 1.417 10 0 CDAERP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1CCCCO1 ZINC000623893448 351321926 /nfs/dbraw/zinc/32/19/26/351321926.db2.gz QTFPWZGTKUNPFN-ZMSDIMECSA-N 2 0 295.471 1.702 10 0 CDAERP CC(C)(C[NH2+]C[C@@H](O)C[NH+]1CCCC1)C(F)(F)F ZINC000629578171 363028642 /nfs/dbraw/zinc/02/86/42/363028642.db2.gz NLNURARBXRFBQL-SNVBAGLBSA-N 2 0 268.323 1.621 10 0 CDAERP CC[C@@H](Cn1cncn1)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624123213 351430001 /nfs/dbraw/zinc/43/00/01/351430001.db2.gz IDJZENHFAXREEX-KGLIPLIRSA-N 2 0 265.405 1.378 10 0 CDAERP O=C(N[C@@H]1CCCC[NH2+]C1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000333735554 363124884 /nfs/dbraw/zinc/12/48/84/363124884.db2.gz WWAYGGOVTHPFMN-HUUCEWRRSA-N 2 0 294.443 1.302 10 0 CDAERP C[C@@H]1CCC[C@@H](C2(O)CNC2)[N@@H+]1Cc1ccccc1 ZINC000090411643 358473462 /nfs/dbraw/zinc/47/34/62/358473462.db2.gz HPXRRLUYHHFCGF-HIFRSBDPSA-N 2 0 260.381 1.764 10 0 CDAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCn1cncn1 ZINC000381858880 366085714 /nfs/dbraw/zinc/08/57/14/366085714.db2.gz DENZYYHYAKSPGA-OLZOCXBDSA-N 2 0 251.378 1.179 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000571641080 363221530 /nfs/dbraw/zinc/22/15/30/363221530.db2.gz ZRNNJBJFNGPLRT-RDBSUJKOSA-N 2 0 265.401 1.071 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1c(C)cc(OC)nc1C ZINC000629652725 363251719 /nfs/dbraw/zinc/25/17/19/363251719.db2.gz DIMKTMIGXVLSOA-UHFFFAOYSA-N 2 0 281.400 1.375 10 0 CDAERP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCN(C3CCC3)C2=O)CC[NH2+]1 ZINC000629673815 363321729 /nfs/dbraw/zinc/32/17/29/363321729.db2.gz IYNZWIOLSJOLOB-MBNYWOFBSA-N 2 0 265.401 1.118 10 0 CDAERP CN(C(=O)CC1CC[NH+](C)CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000336304444 363335145 /nfs/dbraw/zinc/33/51/45/363335145.db2.gz MGDGIXXMEBSPNA-XYPWUTKMSA-N 2 0 293.455 1.802 10 0 CDAERP O=C(CC[C@@H]1CCC[NH2+]C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000251285633 366147334 /nfs/dbraw/zinc/14/73/34/366147334.db2.gz NCNFTGNOAINNDE-KBPBESRZSA-N 2 0 265.401 1.073 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000357238893 283051945 /nfs/dbraw/zinc/05/19/45/283051945.db2.gz YSLXJYXPGACYBK-QWHCGFSZSA-N 2 0 255.406 1.269 10 0 CDAERP CC(C)C[C@@H](CNC(=O)[C@]12CCC[C@H]1C[NH2+]C2)[NH+](C)C ZINC000634765094 358498113 /nfs/dbraw/zinc/49/81/13/358498113.db2.gz JYAJYDIACJKNHU-DZKIICNBSA-N 2 0 281.444 1.469 10 0 CDAERP CC(C)([NH3+])c1nocc1C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634764491 358499306 /nfs/dbraw/zinc/49/93/06/358499306.db2.gz UPZKQPHXUXVPKK-SNVBAGLBSA-N 2 0 294.399 1.376 10 0 CDAERP CC[C@H]1C[N@H+](C)CCCN1c1nc(C)nc(N(C)C)n1 ZINC000631354597 356261832 /nfs/dbraw/zinc/26/18/32/356261832.db2.gz IKVNKLZDYWWMBV-LBPRGKRZSA-N 2 0 278.404 1.167 10 0 CDAERP CO[C@H](C)C[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C(C)C ZINC000659945819 412627004 /nfs/dbraw/zinc/62/70/04/412627004.db2.gz CRONNFHWXUKCRJ-KGLIPLIRSA-N 2 0 260.422 1.433 10 0 CDAERP CC(C)[C@H](CNc1ccnn1C1C[NH2+]C1)[C@H](C)[NH3+] ZINC000725258624 538452957 /nfs/dbraw/zinc/45/29/57/538452957.db2.gz VIMDRCDIWODUIC-JQWIXIFHSA-N 2 0 251.378 1.059 10 0 CDAERP C[C@](O)(C[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000634700428 357356569 /nfs/dbraw/zinc/35/65/69/357356569.db2.gz ZUFJNZIEGIVCJT-UGUYLWEFSA-N 2 0 282.428 1.115 10 0 CDAERP COCC[N@@H+]1CCN(CC[C@H]2CCC[NH+]2C)C[C@@H]1C ZINC000245711628 140276691 /nfs/dbraw/zinc/27/66/91/140276691.db2.gz ZLGXVBWZJSVIHL-LSDHHAIUSA-N 2 0 269.433 1.123 10 0 CDAERP C[C@@H](CC(=O)N1CCCCCC1)[NH2+]C[C@@H]1CCCN1C ZINC000154605452 363588333 /nfs/dbraw/zinc/58/83/33/363588333.db2.gz PPFNQCQBEDQOLT-GJZGRUSLSA-N 2 0 281.444 1.851 10 0 CDAERP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCCC[NH+](C)C)[C@@H]1C ZINC000354206464 291120635 /nfs/dbraw/zinc/12/06/35/291120635.db2.gz CIGSUCLVSVGSTN-RDBSUJKOSA-N 2 0 270.417 1.896 10 0 CDAERP Cc1ccc([C@H]([NH3+])C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1 ZINC000634743737 358191351 /nfs/dbraw/zinc/19/13/51/358191351.db2.gz CGZNFXFLWGHIRC-BHYGNILZSA-N 2 0 287.407 1.453 10 0 CDAERP CC[N@H+](CCCF)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001660613758 1172243040 /nfs/dbraw/zinc/24/30/40/1172243040.db2.gz FQNAAJKBCWWNIR-UHFFFAOYSA-N 2 0 285.407 1.270 10 0 CDAERP CC[N@@H+]1CC[C@H](CN[C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000250192552 140302589 /nfs/dbraw/zinc/30/25/89/140302589.db2.gz ALXGZRFIVIYLRC-QLFBSQMISA-N 2 0 251.418 1.545 10 0 CDAERP C[NH+](C)CC1CN([C@H](C[NH3+])C(F)(F)C(F)(F)F)C1 ZINC000616568486 358428156 /nfs/dbraw/zinc/42/81/56/358428156.db2.gz AZNNLKKNRUKRSL-MRVPVSSYSA-N 2 0 275.265 1.005 10 0 CDAERP CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3CC3(C)C)C2)CC1 ZINC000372730143 358668668 /nfs/dbraw/zinc/66/86/68/358668668.db2.gz XVQWIWCKCIVJQL-OCCSQVGLSA-N 2 0 279.428 1.317 10 0 CDAERP CN(C(=O)c1ccccc1CC[NH3+])C1CC[NH+](C)CC1 ZINC000070551629 358968215 /nfs/dbraw/zinc/96/82/15/358968215.db2.gz GVYLPAUCEAGJLY-UHFFFAOYSA-N 2 0 275.396 1.354 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1CC[NH3+] ZINC000070551675 358968608 /nfs/dbraw/zinc/96/86/08/358968608.db2.gz AOCNZTUIFNLHLA-AWEZNQCLSA-N 2 0 275.396 1.402 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000644841539 358984054 /nfs/dbraw/zinc/98/40/54/358984054.db2.gz QKMYXVURHBZKGP-YOEHRIQHSA-N 2 0 297.406 1.712 10 0 CDAERP CN(C(=O)[C@@H]1CC12CC[NH2+]CC2)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000261901492 359083746 /nfs/dbraw/zinc/08/37/46/359083746.db2.gz DZZWNBLBGGEYGU-KGLIPLIRSA-N 2 0 277.412 1.071 10 0 CDAERP C[C@H]1CN(Cc2cccc(-n3cccn3)c2)C[C@H]1[NH3+] ZINC000261923332 359090866 /nfs/dbraw/zinc/09/08/66/359090866.db2.gz BWJOLTUWHPZOQH-SWLSCSKDSA-N 2 0 256.353 1.651 10 0 CDAERP O=C([C@H]1CC12CC[NH2+]CC2)N1CCC(c2c[nH]cn2)CC1 ZINC000261983897 359112791 /nfs/dbraw/zinc/11/27/91/359112791.db2.gz WTLAESRAZLZFAX-CYBMUJFWSA-N 2 0 288.395 1.505 10 0 CDAERP C[C@@H]1CN(Cc2nccn2Cc2ccccc2)C[C@@H]1[NH3+] ZINC000262044685 359128850 /nfs/dbraw/zinc/12/88/50/359128850.db2.gz PPCUKXXNJQAEDJ-HIFRSBDPSA-N 2 0 270.380 1.710 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)C[N@@H+]1C1CC1 ZINC000262366195 359166154 /nfs/dbraw/zinc/16/61/54/359166154.db2.gz LDTNUDZDADMVQS-RNJOBUHISA-N 2 0 265.401 1.116 10 0 CDAERP CN(C(=O)CC[C@@H]1CCCC[N@@H+]1C)C1CC([NH3+])C1 ZINC000572402266 359334906 /nfs/dbraw/zinc/33/49/06/359334906.db2.gz CRGOAXXNNIAGJE-CPCZMJQVSA-N 2 0 253.390 1.199 10 0 CDAERP C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1ccccc1OCC[NH+](C)C ZINC000566296088 359392801 /nfs/dbraw/zinc/39/28/01/359392801.db2.gz PBSCTFGZZOPKBS-CHWSQXEVSA-N 2 0 293.411 1.483 10 0 CDAERP CON1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000421879957 359488050 /nfs/dbraw/zinc/48/80/50/359488050.db2.gz PSIVOFUZULWDDY-ZNMIVQPWSA-N 2 0 267.417 1.475 10 0 CDAERP CON1CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000421879955 359488111 /nfs/dbraw/zinc/48/81/11/359488111.db2.gz PSIVOFUZULWDDY-RBSFLKMASA-N 2 0 267.417 1.475 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)Cc2c(C)cnn2C)[C@@H](C)C1 ZINC000347846386 359619029 /nfs/dbraw/zinc/61/90/29/359619029.db2.gz DWPHQGBIBCEUCF-KBPBESRZSA-N 2 0 264.417 1.891 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(OC)cc1F ZINC000422927502 359680141 /nfs/dbraw/zinc/68/01/41/359680141.db2.gz GMLHUVBSDMDHPV-LBPRGKRZSA-N 2 0 270.348 1.678 10 0 CDAERP COc1cccc(N2CC[C@H](C[NH2+][C@H](C)C3C[NH2+]C3)C2)c1 ZINC000422900897 359692951 /nfs/dbraw/zinc/69/29/51/359692951.db2.gz KGVCSAMPDLFLJI-ZIAGYGMSSA-N 2 0 289.423 1.719 10 0 CDAERP CN(CC[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](C2CC2)C1 ZINC000336697895 359732620 /nfs/dbraw/zinc/73/26/20/359732620.db2.gz GAGPLGZTLRNMBG-HIFRSBDPSA-N 2 0 251.418 1.639 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C2CCC(C(N)=O)CC2)[C@@H]2CCC[C@@H]21 ZINC000560521401 359737087 /nfs/dbraw/zinc/73/70/87/359737087.db2.gz MMXRCFFLNYAUJK-HGSUQPQSSA-N 2 0 279.428 1.493 10 0 CDAERP COC[C@]1(C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)CCC[NH2+]1 ZINC000423411496 359773165 /nfs/dbraw/zinc/77/31/65/359773165.db2.gz FTNNADSHVLKDGO-MWDXBVQZSA-N 2 0 296.455 1.940 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](O)CC2)[C@@H]2CCC[C@@H]21 ZINC000560542275 359809378 /nfs/dbraw/zinc/80/93/78/359809378.db2.gz ARXRXRUDFRRYQV-YTFOTSKYSA-N 2 0 252.402 1.752 10 0 CDAERP CSCC[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000336800961 359865977 /nfs/dbraw/zinc/86/59/77/359865977.db2.gz OJQNRBSUURPSSM-UHFFFAOYSA-N 2 0 285.501 1.840 10 0 CDAERP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000348154647 359858512 /nfs/dbraw/zinc/85/85/12/359858512.db2.gz AUCHOPZSWFSFFH-CVEARBPZSA-N 2 0 293.455 1.805 10 0 CDAERP Cn1cc(CC[NH+]2CCC(C[NH+]3CCCC3)CC2)cn1 ZINC000336824915 359891746 /nfs/dbraw/zinc/89/17/46/359891746.db2.gz WMLXRWLNGNDYMC-UHFFFAOYSA-N 2 0 276.428 1.770 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000336833571 359920391 /nfs/dbraw/zinc/92/03/91/359920391.db2.gz CPOBGALIPBGNGP-SJORKVTESA-N 2 0 295.471 1.515 10 0 CDAERP C[NH2+]C1CCN(C(=O)[C@H]([NH3+])c2ccccc2C)CC1 ZINC000335422865 360252092 /nfs/dbraw/zinc/25/20/92/360252092.db2.gz LOYZWGWRUQPABY-CQSZACIVSA-N 2 0 261.369 1.205 10 0 CDAERP O=C(C1CC[NH+](C2CC2)CC1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000335424814 360254211 /nfs/dbraw/zinc/25/42/11/360254211.db2.gz SRGALUBSEDVDIJ-KRWDZBQOSA-N 2 0 291.439 1.463 10 0 CDAERP C[C@@H](CC(=O)N1CCC2(CC[NH2+]2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000335407073 360227657 /nfs/dbraw/zinc/22/76/57/360227657.db2.gz QXHIEEMCSNDBBF-UONOGXRCSA-N 2 0 279.428 1.367 10 0 CDAERP C[C@H]1[C@H]([NH3+])CCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000335471221 360327914 /nfs/dbraw/zinc/32/79/14/360327914.db2.gz QPKFDGZEZNGSEG-SMDDNHRTSA-N 2 0 261.369 1.310 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCCC23CC3)CC1 ZINC000515434198 360497682 /nfs/dbraw/zinc/49/76/82/360497682.db2.gz GYDMYNGJAWDLHD-HUUCEWRRSA-N 2 0 265.445 1.935 10 0 CDAERP CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635011584 360655854 /nfs/dbraw/zinc/65/58/54/360655854.db2.gz QYVWPQHKWFMSJL-GFCCVEGCSA-N 2 0 296.436 1.245 10 0 CDAERP C[C@@H]1C[N@H+](Cc2cnn(Cc3ccccc3)c2)C[C@@H]1C[NH3+] ZINC000634999749 360637913 /nfs/dbraw/zinc/63/79/13/360637913.db2.gz YQPWLXKITNHHCC-PBHICJAKSA-N 2 0 284.407 1.958 10 0 CDAERP c1ccc2c(c1)CC([NH2+]C1CCC([NH+]3CCNCC3)CC1)C2 ZINC000335640893 360682915 /nfs/dbraw/zinc/68/29/15/360682915.db2.gz CUMIBHUAMMRUNP-UHFFFAOYSA-N 2 0 299.462 1.960 10 0 CDAERP C[C@@H](CCNC(=O)NCCC[NH3+])[N@H+](C)Cc1ccccc1 ZINC000417807129 360779735 /nfs/dbraw/zinc/77/97/35/360779735.db2.gz CBLAYPGDHFBMBX-AWEZNQCLSA-N 2 0 292.427 1.545 10 0 CDAERP C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc(-n2ccnc2)cs1 ZINC000335726575 360853177 /nfs/dbraw/zinc/85/31/77/360853177.db2.gz SIHYVIMXJKUQSE-PWSUYJOCSA-N 2 0 263.366 1.889 10 0 CDAERP CC1(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)CCC1 ZINC000335634511 482850395 /nfs/dbraw/zinc/85/03/95/482850395.db2.gz PGSNVWNQVCKEIZ-CYBMUJFWSA-N 2 0 252.402 1.864 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1)C1CCCC1 ZINC000227803400 360946765 /nfs/dbraw/zinc/94/67/65/360946765.db2.gz RHKUGEWLIAPVCX-VXGBXAGGSA-N 2 0 253.390 1.104 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000227883989 360989670 /nfs/dbraw/zinc/98/96/70/360989670.db2.gz GUNGNXLROBHTFG-FRRDWIJNSA-N 2 0 253.390 1.104 10 0 CDAERP CCN1CC[C@H]([NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000389191688 361266628 /nfs/dbraw/zinc/26/66/28/361266628.db2.gz VIZQEJVIDSIMRZ-GARJFASQSA-N 2 0 266.307 1.780 10 0 CDAERP C[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]C1)C[NH+]1CCCCC1 ZINC000054308308 361380560 /nfs/dbraw/zinc/38/05/60/361380560.db2.gz WDLXRRLXTVHCAK-GJZGRUSLSA-N 2 0 281.444 1.614 10 0 CDAERP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCCC23CC3)CC1 ZINC000568782774 294102567 /nfs/dbraw/zinc/10/25/67/294102567.db2.gz DGVLFASGUSEGRA-OAHLLOKOSA-N 2 0 265.445 1.936 10 0 CDAERP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000644144996 364000549 /nfs/dbraw/zinc/00/05/49/364000549.db2.gz UMPZEHWVKIOLDI-BFHYXJOUSA-N 2 0 279.428 1.542 10 0 CDAERP C[N@@H+]1CC[C@H](COC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000170610746 364261387 /nfs/dbraw/zinc/26/13/87/364261387.db2.gz NIPKBAPEWLFVTJ-NSHDSACASA-N 2 0 259.309 1.443 10 0 CDAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(C[NH3+])cc1 ZINC000248855501 364301816 /nfs/dbraw/zinc/30/18/16/364301816.db2.gz DAJGYHIEFQDBOL-HOTGVXAUSA-N 2 0 287.407 1.844 10 0 CDAERP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000373041240 364565613 /nfs/dbraw/zinc/56/56/13/364565613.db2.gz YVHPUZDAZYVSBX-RRFJBIMHSA-N 2 0 281.444 1.837 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N(C)CCC[NH+](C)C)C1 ZINC000186433509 364574449 /nfs/dbraw/zinc/57/44/49/364574449.db2.gz RPXWRINBEYDFKH-HNNXBMFYSA-N 2 0 298.475 1.557 10 0 CDAERP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000377562793 364859775 /nfs/dbraw/zinc/85/97/75/364859775.db2.gz KOVDMYRTWBALFQ-TZMCWYRMSA-N 2 0 281.444 1.754 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC[NH2+]CC2)[C@@H](C)C1 ZINC000641023547 364844068 /nfs/dbraw/zinc/84/40/68/364844068.db2.gz FTFZWVPXOCOGGW-ZNMIVQPWSA-N 2 0 296.459 1.500 10 0 CDAERP COCC[NH2+]C1CC[NH+](C[C@@H]2CCSC2)CC1 ZINC000580202287 364877102 /nfs/dbraw/zinc/87/71/02/364877102.db2.gz DGLIAJIIQNDZGH-LBPRGKRZSA-N 2 0 258.431 1.440 10 0 CDAERP CN(C(=O)N[C@H]1CCC[NH2+]CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000641089434 365019953 /nfs/dbraw/zinc/01/99/53/365019953.db2.gz BFEORFDVTAIGJN-JSGCOSHPSA-N 2 0 280.416 1.007 10 0 CDAERP CC(C)COC[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353515935 365270955 /nfs/dbraw/zinc/27/09/55/365270955.db2.gz IOPYPUJAUWCAKI-QKPAOTATSA-N 2 0 284.444 1.482 10 0 CDAERP C[N@H+](CCNC(=O)NCC1([NH3+])CCCCCC1)C1CC1 ZINC000580703616 365516672 /nfs/dbraw/zinc/51/66/72/365516672.db2.gz AUCPAJLKIRIZNO-UHFFFAOYSA-N 2 0 282.432 1.432 10 0 CDAERP C[C@H]([NH2+]Cc1ccc2c(c1)OCCO2)[C@H]1CC[NH2+]C1 ZINC000400494879 366960017 /nfs/dbraw/zinc/96/00/17/366960017.db2.gz APSGKWXUHGKNTF-AAEUAGOBSA-N 2 0 262.353 1.545 10 0 CDAERP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)Cc1ccn(C(C)C)n1 ZINC000414799444 241392603 /nfs/dbraw/zinc/39/26/03/241392603.db2.gz RIJNZGSHWAMFSU-JSGCOSHPSA-N 2 0 252.406 1.968 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000626989087 367179262 /nfs/dbraw/zinc/17/92/62/367179262.db2.gz VBMAWJLZNFEHMB-OLMTUDMXSA-N 2 0 294.443 1.441 10 0 CDAERP C[C@H]1C[N@H+](C)C[C@H]1NCC(C)(C)C[NH+]1CCCC1 ZINC000357884751 367277998 /nfs/dbraw/zinc/27/79/98/367277998.db2.gz VFGQGXQDKUSKAB-UONOGXRCSA-N 2 0 253.434 1.648 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627038639 367281024 /nfs/dbraw/zinc/28/10/24/367281024.db2.gz PMMQMIUMBNPDTR-MELADBBJSA-N 2 0 284.448 1.547 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(CC(=O)NC(C)(C)C)C1 ZINC000357960441 367333450 /nfs/dbraw/zinc/33/34/50/367333450.db2.gz MENVSKIXTLDVID-ZDUSSCGKSA-N 2 0 269.433 1.565 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1C[C@@H](C)n2ccnc21 ZINC000627052618 367310988 /nfs/dbraw/zinc/31/09/88/367310988.db2.gz RGFFDYZRCSMWBX-KXNHARMFSA-N 2 0 277.372 1.329 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CC[NH+]2CCC1CC2 ZINC000358157055 367475540 /nfs/dbraw/zinc/47/55/40/367475540.db2.gz GUDISNVTFYVOEQ-CQSZACIVSA-N 2 0 296.459 1.596 10 0 CDAERP C[C@@H]1CN(C)C[C@H]1[NH2+]CCNC(=O)c1c(F)cccc1F ZINC000358139672 367463947 /nfs/dbraw/zinc/46/39/47/367463947.db2.gz KVXFBXIDWPJVRR-ZWNOBZJWSA-N 2 0 297.349 1.234 10 0 CDAERP CC1=CC[N@H+](CCN[C@@H]2CC[NH+]3CCC[C@@H]3C2)CC1 ZINC000358253992 367547162 /nfs/dbraw/zinc/54/71/62/367547162.db2.gz PIGVXAIJXBWSDI-HZPDHXFCSA-N 2 0 263.429 1.855 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000627169400 367605082 /nfs/dbraw/zinc/60/50/82/367605082.db2.gz VJYPLMKKTDUNLQ-UONOGXRCSA-N 2 0 296.459 1.643 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000417011870 242267394 /nfs/dbraw/zinc/26/73/94/242267394.db2.gz UEJKFLQNWLNISH-JHJVBQTASA-N 2 0 270.421 1.143 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)N2CC[NH+](C3CCCC3)CC2)C[NH2+]1 ZINC000627195098 367680810 /nfs/dbraw/zinc/68/08/10/367680810.db2.gz JKHVJONDEIGPPQ-ZIAGYGMSSA-N 2 0 294.443 1.397 10 0 CDAERP C[C@@H](CC[NH3+])NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000417665806 242576684 /nfs/dbraw/zinc/57/66/84/242576684.db2.gz ZTMSTIBQPVAUFZ-NSHDSACASA-N 2 0 296.390 1.424 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000627244543 367850687 /nfs/dbraw/zinc/85/06/87/367850687.db2.gz CNRGVQDIKTYBEG-NILFDRSVSA-N 2 0 288.395 1.005 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)NCCCCC[NH+]1CCCCC1 ZINC000417697155 242591666 /nfs/dbraw/zinc/59/16/66/242591666.db2.gz CLTSGGGONZRRET-KGLIPLIRSA-N 2 0 284.448 1.678 10 0 CDAERP CC1=CC[N@H+](CCNC(=O)NCC2CC[NH+](C)CC2)CC1 ZINC000358671220 367862195 /nfs/dbraw/zinc/86/21/95/367862195.db2.gz UBXDJQUQBFECRV-UHFFFAOYSA-N 2 0 294.443 1.279 10 0 CDAERP C[C@H](CCC(F)(F)F)[NH2+]CCN1CC[NH2+]CC1 ZINC000414864797 367902154 /nfs/dbraw/zinc/90/21/54/367902154.db2.gz CIKMCHKHQDWXNW-SNVBAGLBSA-N 2 0 253.312 1.212 10 0 CDAERP C[C@H]1C[C@H](NC(=O)NCC2([NH3+])CCCCCC2)CC[NH2+]1 ZINC000418284716 242894494 /nfs/dbraw/zinc/89/44/94/242894494.db2.gz NETOTZMSRKWJEL-QWHCGFSZSA-N 2 0 282.432 1.478 10 0 CDAERP CCC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)[NH+](C)C ZINC000125771078 368244822 /nfs/dbraw/zinc/24/48/22/368244822.db2.gz SKMJQKWBTUAFOE-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CCCC[C@@H](C[NH3+])NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000418440273 243078597 /nfs/dbraw/zinc/07/85/97/243078597.db2.gz HDYWWYNLQFBZBV-MJBXVCDLSA-N 2 0 282.432 1.145 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)NCC(F)(F)CN)cc1 ZINC000418443578 243083573 /nfs/dbraw/zinc/08/35/73/243083573.db2.gz APVVLMVYNQAVLT-VIFPVBQESA-N 2 0 286.326 1.100 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)NCC[NH+](C)C)cc1 ZINC000418469918 243116623 /nfs/dbraw/zinc/11/66/23/243116623.db2.gz BRLYVWDGGALEDX-LLVKDONJSA-N 2 0 264.373 1.067 10 0 CDAERP CC(C)CC[C@H]([NH3+])C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000638124019 368519898 /nfs/dbraw/zinc/51/98/98/368519898.db2.gz VGBJZQCVIBHUNZ-KKUMJFAQSA-N 2 0 281.444 1.835 10 0 CDAERP CCCN(CC[NH+](CC)CC)C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000418703176 243354740 /nfs/dbraw/zinc/35/47/40/243354740.db2.gz HIXBHJXTHCGYBJ-CHWSQXEVSA-N 2 0 272.437 1.486 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000638249655 368903404 /nfs/dbraw/zinc/90/34/04/368903404.db2.gz JBPRWTIJLRXOBT-FPMFFAJLSA-N 2 0 280.416 1.040 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000368210127 369394074 /nfs/dbraw/zinc/39/40/74/369394074.db2.gz YDRIKVVRMLVYLZ-GFCCVEGCSA-N 2 0 293.415 1.298 10 0 CDAERP [NH3+]CC1(CCNC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000652123274 412780077 /nfs/dbraw/zinc/78/00/77/412780077.db2.gz GMXNTLSLVDPEHU-UHFFFAOYSA-N 2 0 280.416 1.041 10 0 CDAERP CC(C)C[NH+]1CCC(NC(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652124170 412780941 /nfs/dbraw/zinc/78/09/41/412780941.db2.gz QHHYQXUQDWYXBR-UHFFFAOYSA-N 2 0 296.459 1.535 10 0 CDAERP C[NH+]1CCC2(CCC[N@H+](Cc3cncnc3)C2)CC1 ZINC000369723031 369863017 /nfs/dbraw/zinc/86/30/17/369863017.db2.gz VFBUZRNBDZXAKA-UHFFFAOYSA-N 2 0 260.385 1.784 10 0 CDAERP CN(CC(=O)NC1CCCCC1)C[C@H]1CCC[N@H+](C)C1 ZINC000118843171 369903731 /nfs/dbraw/zinc/90/37/31/369903731.db2.gz IOKGLILWUBINCB-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353526945 369969332 /nfs/dbraw/zinc/96/93/32/369969332.db2.gz BVRXQXALOFZEBI-QBPKDAKJSA-N 2 0 297.487 1.806 10 0 CDAERP [NH3+][C@H](C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000371235395 370220235 /nfs/dbraw/zinc/22/02/35/370220235.db2.gz KAWGLGARPGSDBC-JYJNAYRXSA-N 2 0 287.407 1.677 10 0 CDAERP Cc1c(Cl)c(C[NH2+][C@H](C)CCCC[NH3+])nn1C ZINC000422555681 245110733 /nfs/dbraw/zinc/11/07/33/245110733.db2.gz QTBMXNOWCHWDBE-SECBINFHSA-N 2 0 258.797 1.989 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCc1cnc(C2CC2)nc1 ZINC000566090943 370604731 /nfs/dbraw/zinc/60/47/31/370604731.db2.gz JOHGAJFXFGGYAS-UONOGXRCSA-N 2 0 260.385 1.614 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCN(c2ccccc2)C1=O ZINC000422698476 245156103 /nfs/dbraw/zinc/15/61/03/245156103.db2.gz ZLNUJZGAFZOQFJ-SGMGOOAPSA-N 2 0 261.369 1.507 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)COC(C)C)C1 ZINC000567685019 371099095 /nfs/dbraw/zinc/09/90/95/371099095.db2.gz UDDXNGURAYWTKA-CABCVRRESA-N 2 0 272.433 1.340 10 0 CDAERP CCCN(C(=O)CC[C@H]1CCCC[N@@H+]1C)[C@H]1CC[NH2+]C1 ZINC000567829521 371163826 /nfs/dbraw/zinc/16/38/26/371163826.db2.gz YRCPCUKJBHZOTA-CABCVRRESA-N 2 0 281.444 1.851 10 0 CDAERP C[C@@H](NCC[N@@H+]1CCCC[C@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000422855811 245338549 /nfs/dbraw/zinc/33/85/49/245338549.db2.gz FFZXINMSMVSLJU-KFWWJZLASA-N 2 0 253.434 1.981 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000569233965 371244640 /nfs/dbraw/zinc/24/46/40/371244640.db2.gz NTUNYNCRAYAUMZ-NSHDSACASA-N 2 0 289.301 1.197 10 0 CDAERP C[C@H]([NH2+]C1CC1)C(=O)NCc1nccn1CC(F)(F)F ZINC000575396009 371831546 /nfs/dbraw/zinc/83/15/46/371831546.db2.gz IPAODDAQNKICEO-QMMMGPOBSA-N 2 0 290.289 1.202 10 0 CDAERP CCOC(=O)CCC[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000174780781 371954101 /nfs/dbraw/zinc/95/41/01/371954101.db2.gz WSWMBYJCRCOLKN-KGLIPLIRSA-N 2 0 270.417 1.992 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000171038353 372165215 /nfs/dbraw/zinc/16/52/15/372165215.db2.gz AXXNTSLYWLAWQD-HUUCEWRRSA-N 2 0 296.459 1.596 10 0 CDAERP CSCC[C@H]([NH3+])C(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000361728419 372633940 /nfs/dbraw/zinc/63/39/40/372633940.db2.gz OEFWQMWEHGYIMN-KBPBESRZSA-N 2 0 299.484 1.544 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCN1CCCC(C)(C)C1 ZINC000423076009 245543834 /nfs/dbraw/zinc/54/38/34/245543834.db2.gz PWPSPKDHQOGTNJ-AWEZNQCLSA-N 2 0 271.449 1.452 10 0 CDAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000333353883 205244700 /nfs/dbraw/zinc/24/47/00/205244700.db2.gz JZWVRVFPIYUQBP-RDBSUJKOSA-N 2 0 282.432 1.014 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+]2CCCC2)CC[N@@H+]1C ZINC000630922740 373370872 /nfs/dbraw/zinc/37/08/72/373370872.db2.gz QGRWPOKMRDNAOJ-UONOGXRCSA-N 2 0 267.417 1.271 10 0 CDAERP [NH3+][C@H]1CCC[C@H]([NH2+]CC2(O)Cc3ccccc3C2)C1 ZINC000584539840 373958181 /nfs/dbraw/zinc/95/81/81/373958181.db2.gz GBLJDOQVIBXOCP-GJZGRUSLSA-N 2 0 260.381 1.376 10 0 CDAERP c1nn(-c2cc[nH+]cc2)cc1N[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000643469221 374008569 /nfs/dbraw/zinc/00/85/69/374008569.db2.gz BCFJWGNWBVAYFT-HOTGVXAUSA-N 2 0 299.378 1.446 10 0 CDAERP CN(CC(C)(C)C[NH3+])C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418458909 374395061 /nfs/dbraw/zinc/39/50/61/374395061.db2.gz XQUMQNKUBUDEMD-ZDUSSCGKSA-N 2 0 278.400 1.313 10 0 CDAERP CC[C@@H]1C[N@H+](CC)CCN1C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000418587713 374417380 /nfs/dbraw/zinc/41/73/80/374417380.db2.gz HBHJGSMLWZRXHA-BFHYXJOUSA-N 2 0 282.432 1.110 10 0 CDAERP CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)[C@@H](C)[NH3+])CC(C)C ZINC000416943581 375705371 /nfs/dbraw/zinc/70/53/71/375705371.db2.gz CJCKIVSHRWXCNW-MCIONIFRSA-N 2 0 286.464 1.778 10 0 CDAERP C[C@@H]1C[NH+]=C(N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)N1 ZINC000306596349 375772760 /nfs/dbraw/zinc/77/27/60/375772760.db2.gz MOBBUPRLGICUBJ-FMKPAKJESA-N 2 0 286.423 1.977 10 0 CDAERP [NH3+]CC[C@H]([NH3+])c1cccc(I)c1 ZINC000306610387 375776810 /nfs/dbraw/zinc/77/68/10/375776810.db2.gz KXWJOMMEELKNKI-VIFPVBQESA-N 2 0 276.121 1.640 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)c2ccc(C[NH3+])o2)CC1 ZINC000638975265 376326327 /nfs/dbraw/zinc/32/63/27/376326327.db2.gz IDJSSXZYFHTJAR-UHFFFAOYSA-N 2 0 279.384 1.685 10 0 CDAERP CCCn1cc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)cn1 ZINC000344666568 376730719 /nfs/dbraw/zinc/73/07/19/376730719.db2.gz FROROSVPIKQLHD-UHFFFAOYSA-N 2 0 294.443 1.618 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)CC[C@@H](C)[NH3+])CC1 ZINC000070317100 377033844 /nfs/dbraw/zinc/03/38/44/377033844.db2.gz BSOMRTZENJFLON-GFCCVEGCSA-N 2 0 255.406 1.447 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](C)[C@@H](C)[C@H]2C)CC[N@@H+]1C ZINC000632275331 377227403 /nfs/dbraw/zinc/22/74/03/377227403.db2.gz RJJCPFASLMTVSG-RFQIPJPRSA-N 2 0 267.417 1.268 10 0 CDAERP O[C@H](CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C(F)(F)F ZINC000248388557 377237211 /nfs/dbraw/zinc/23/72/11/377237211.db2.gz FCXZAWLOZUWGNJ-KGYLQXTDSA-N 2 0 292.345 1.858 10 0 CDAERP CC[NH+](CC)CCCN1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000249095520 377396925 /nfs/dbraw/zinc/39/69/25/377396925.db2.gz VIXSKGJIZITVHT-LSDHHAIUSA-N 2 0 271.449 1.105 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CCN[C@H](c3ccccc3)C2)C1 ZINC000334753412 377460136 /nfs/dbraw/zinc/46/01/36/377460136.db2.gz RYMSKSXZMFHOFZ-GJZGRUSLSA-N 2 0 273.380 1.111 10 0 CDAERP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCC1([NH3+])CCCCCC1 ZINC000334936464 377707152 /nfs/dbraw/zinc/70/71/52/377707152.db2.gz QEPNGBPBTFPSFX-KGLIPLIRSA-N 2 0 296.459 1.949 10 0 CDAERP Cc1csc(=O)n1CCN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000334979892 377748152 /nfs/dbraw/zinc/74/81/52/377748152.db2.gz JZKPCYOHLZFLLU-AWEZNQCLSA-N 2 0 281.425 1.294 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000091539749 377895251 /nfs/dbraw/zinc/89/52/51/377895251.db2.gz OEGYPLJUCHMAOB-FRRDWIJNSA-N 2 0 253.390 1.057 10 0 CDAERP CCC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]C)CC1 ZINC000063165960 378266775 /nfs/dbraw/zinc/26/67/75/378266775.db2.gz SAVOSFWUHQPMOW-UHFFFAOYSA-N 2 0 255.406 1.223 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CC1CCCCC1 ZINC001662324724 1172529699 /nfs/dbraw/zinc/52/96/99/1172529699.db2.gz MENXIJXCCFPKQF-ZDUSSCGKSA-N 2 0 269.433 1.613 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000417748517 378530660 /nfs/dbraw/zinc/53/06/60/378530660.db2.gz ILHBLJWNVMDVCQ-YRGRVCCFSA-N 2 0 280.416 1.005 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1nccs1 ZINC000657573621 412903682 /nfs/dbraw/zinc/90/36/82/412903682.db2.gz MTYVQKBORHXFSH-LBPRGKRZSA-N 2 0 270.446 1.505 10 0 CDAERP CCN1CCN(C(=O)[C@H](C)[N@H+](C)C[C@@H]2CC=CCC2)CC1 ZINC000344094664 379158867 /nfs/dbraw/zinc/15/88/67/379158867.db2.gz VZPKSLKRSRVQQB-JKSUJKDBSA-N 2 0 293.455 1.827 10 0 CDAERP Cc1c[nH]c(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)n1 ZINC000657573776 412906675 /nfs/dbraw/zinc/90/66/75/412906675.db2.gz UAMAHSIPVMMOOM-ZDUSSCGKSA-N 2 0 267.421 1.080 10 0 CDAERP CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000657580168 412909945 /nfs/dbraw/zinc/90/99/45/412909945.db2.gz YUOUWHPSIZMWKB-UTSKFRMZSA-N 2 0 296.455 1.769 10 0 CDAERP Cc1ncc(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cn1 ZINC000344379746 379607391 /nfs/dbraw/zinc/60/73/91/379607391.db2.gz ITMWTFHGQWCDSW-OAHLLOKOSA-N 2 0 278.400 1.112 10 0 CDAERP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@H](C[NH3+])C(F)(F)F)C[C@H]1C ZINC000655921402 412931143 /nfs/dbraw/zinc/93/11/43/412931143.db2.gz LTULIRITQBPNIL-KXUCPTDWSA-N 2 0 296.337 1.000 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001662679955 1172579819 /nfs/dbraw/zinc/57/98/19/1172579819.db2.gz DVECLWOEPFKTOS-OAHLLOKOSA-N 2 0 295.471 1.812 10 0 CDAERP C[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]C/C=C\Cl)C2)CC1 ZINC001662681116 1172581203 /nfs/dbraw/zinc/58/12/03/1172581203.db2.gz YYXJKEMKSCFRCF-IUAZIXFQSA-N 2 0 299.846 1.519 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC3CC2(C)C3)CC1 ZINC000662384227 412943279 /nfs/dbraw/zinc/94/32/79/412943279.db2.gz VFJZKUXQDXHEOE-UHFFFAOYSA-N 2 0 279.428 1.460 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655926294 412945199 /nfs/dbraw/zinc/94/51/99/412945199.db2.gz DJWGZKHFNQIWIF-NXEZZACHSA-N 2 0 298.353 1.296 10 0 CDAERP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000660675788 412948697 /nfs/dbraw/zinc/94/86/97/412948697.db2.gz DNSPZGYPBAMXGL-ALYAQQCSSA-N 2 0 278.440 1.832 10 0 CDAERP C[NH+](C)CCCNCC[NH+]1CCc2ccccc2CC1 ZINC000079575914 184594136 /nfs/dbraw/zinc/59/41/36/184594136.db2.gz CVIRGCYRELVFJH-UHFFFAOYSA-N 2 0 275.440 1.629 10 0 CDAERP CC[C@H](C(=O)NCC[C@@H](C)[NH2+]CC=C(C)C)[NH+](C)C ZINC001662935752 1172618206 /nfs/dbraw/zinc/61/82/06/1172618206.db2.gz XHXMBSYNGSOXBB-ZIAGYGMSSA-N 2 0 269.433 1.777 10 0 CDAERP [NH3+]C1(CC(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000662421525 412996346 /nfs/dbraw/zinc/99/63/46/412996346.db2.gz JVWYJADZSZCPBY-UHFFFAOYSA-N 2 0 253.390 1.296 10 0 CDAERP CO[C@H]1C[C@@H]([NH+](C)C/C=C\C[N@@H+](C)[C@H]2C[C@@H](OC)C2)C1 ZINC000510110658 254108001 /nfs/dbraw/zinc/10/80/01/254108001.db2.gz ZZBZHPPSZSJURF-RNDSNWHESA-N 2 0 282.428 1.761 10 0 CDAERP C[C@@H](CNC(=O)C[C@@H]1[NH2+]Cc2ccccc21)[N@H+](C)C1CC1 ZINC000662441813 413023572 /nfs/dbraw/zinc/02/35/72/413023572.db2.gz NITKGGNJQPCFMV-LRDDRELGSA-N 2 0 287.407 1.820 10 0 CDAERP CO[C@@]1(C)C[C@H]1[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657790850 413026645 /nfs/dbraw/zinc/02/66/45/413026645.db2.gz XWIIZIYQWGUZKG-KGLIPLIRSA-N 2 0 258.325 1.534 10 0 CDAERP [NH3+][C@@H](CC(F)F)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000648132510 390161871 /nfs/dbraw/zinc/16/18/71/390161871.db2.gz YUASNTMIUPPISH-VIFPVBQESA-N 2 0 287.285 1.392 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)CCC(C)(C)[NH3+])CC1 ZINC000648152107 390543053 /nfs/dbraw/zinc/54/30/53/390543053.db2.gz RCSAKZPTBDXQOZ-UHFFFAOYSA-N 2 0 269.433 1.741 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)C2C[NH2+]C2)[C@H](C)C1 ZINC000262379283 285393454 /nfs/dbraw/zinc/39/34/54/285393454.db2.gz MTEAUVFIFYYQQJ-BZPMIXESSA-N 2 0 267.417 1.031 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)C2C[NH2+]C2)[C@@H](C)C1 ZINC000262379289 285393476 /nfs/dbraw/zinc/39/34/76/285393476.db2.gz MTEAUVFIFYYQQJ-SCRDCRAPSA-N 2 0 267.417 1.031 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000648181060 390941283 /nfs/dbraw/zinc/94/12/83/390941283.db2.gz YBFONCCJWBVWTK-CQSZACIVSA-N 2 0 273.380 1.550 10 0 CDAERP C[C@@H](CC(=O)N[C@@H]1CC[NH2+]C12CCCC2)C1CC[NH2+]CC1 ZINC000648206169 390951871 /nfs/dbraw/zinc/95/18/71/390951871.db2.gz VERKRDGTIAHTKX-DZGCQCFKSA-N 2 0 293.455 1.803 10 0 CDAERP COC[C@@](C)(O)CC[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000449383484 390889083 /nfs/dbraw/zinc/88/90/83/390889083.db2.gz HQJIYUIAMRRQME-HNNXBMFYSA-N 2 0 272.433 1.626 10 0 CDAERP CC(C)[C@@H](CNC(=O)[C@H]1CC[C@H]([NH3+])C1)[NH+]1CCC(C)CC1 ZINC000164907197 390969916 /nfs/dbraw/zinc/96/99/16/390969916.db2.gz WLILTIJTQYUKJK-HRCADAONSA-N 2 0 295.471 1.987 10 0 CDAERP C[C@H](Cc1ccccc1)CN1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000647507518 390974764 /nfs/dbraw/zinc/97/47/64/390974764.db2.gz RGACJBSHARWEAQ-IJEWVQPXSA-N 2 0 262.397 1.913 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H](NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000647548683 390991150 /nfs/dbraw/zinc/99/11/50/390991150.db2.gz OVHZETWUQYFXGK-OFQRWUPVSA-N 2 0 281.444 1.075 10 0 CDAERP [NH2+]=C(NCc1ccccc1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000307480661 391075483 /nfs/dbraw/zinc/07/54/83/391075483.db2.gz GTKIJWXWUNLWRU-CABCVRRESA-N 2 0 272.396 1.927 10 0 CDAERP COC[C@H](C)C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000526124477 391143118 /nfs/dbraw/zinc/14/31/18/391143118.db2.gz OMZLICVHERXDAD-MRXNPFEDSA-N 2 0 297.487 1.759 10 0 CDAERP C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]C[C@H]2CC[NH2+]C2)C1 ZINC000647892241 391169874 /nfs/dbraw/zinc/16/98/74/391169874.db2.gz GQZKCFDJBRZTTG-VNHYZAJKSA-N 2 0 254.418 1.763 10 0 CDAERP Cc1noc(CCC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)n1 ZINC000647903210 391199439 /nfs/dbraw/zinc/19/94/39/391199439.db2.gz GXPXFPJCSNJJGQ-KGLIPLIRSA-N 2 0 278.400 1.775 10 0 CDAERP C[C@@H](CC[NH3+])NC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000417196741 391344828 /nfs/dbraw/zinc/34/48/28/391344828.db2.gz PLWMNDMMLDXSAQ-ZFWWWQNUSA-N 2 0 292.427 1.196 10 0 CDAERP CN(C(=O)NCC[C@@H]1CCC[NH2+]C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000418345958 391348565 /nfs/dbraw/zinc/34/85/65/391348565.db2.gz MAFRUNJIKDLSNN-ZFWWWQNUSA-N 2 0 294.443 1.254 10 0 CDAERP C[NH+](C)C1(CN[C@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000417353694 391350153 /nfs/dbraw/zinc/35/01/53/391350153.db2.gz JNAAUMSIAYMLML-RDBSUJKOSA-N 2 0 251.418 1.543 10 0 CDAERP COCC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353530324 391395155 /nfs/dbraw/zinc/39/51/55/391395155.db2.gz SCLVLIJXDUSIDG-TUVASFSCSA-N 2 0 270.417 1.236 10 0 CDAERP CC(C)N1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CC1=O ZINC000353611623 391396910 /nfs/dbraw/zinc/39/69/10/391396910.db2.gz DHEFFBNCQONJDM-TUVASFSCSA-N 2 0 279.428 1.458 10 0 CDAERP CS[C@@H]1CC[C@H]1[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000425338100 391463746 /nfs/dbraw/zinc/46/37/46/391463746.db2.gz OSOLRTGIRSYUJV-MGPQQGTHSA-N 2 0 272.458 1.971 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+][C@H]1CC[C@@H]1SC ZINC000425337759 391463826 /nfs/dbraw/zinc/46/38/26/391463826.db2.gz NUWQSRKXLLHNKA-STQMWFEESA-N 2 0 260.447 1.828 10 0 CDAERP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)C2CCCC2)CC1 ZINC000411524541 391469549 /nfs/dbraw/zinc/46/95/49/391469549.db2.gz BGCRQUFLMMDBQE-ZDUSSCGKSA-N 2 0 281.444 1.755 10 0 CDAERP COCCO[C@H]1CC[N@H+](Cc2cncn2C(C)C)C1 ZINC000425348604 391473793 /nfs/dbraw/zinc/47/37/93/391473793.db2.gz ZFIBDKCKPNLUCA-AWEZNQCLSA-N 2 0 267.373 1.701 10 0 CDAERP CS[C@@H]1CC[C@@H]1[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000425362903 391485306 /nfs/dbraw/zinc/48/53/06/391485306.db2.gz VUZHORBQTXDLNT-HZSPNIEDSA-N 2 0 271.474 1.354 10 0 CDAERP CN(C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000418412258 391510518 /nfs/dbraw/zinc/51/05/18/391510518.db2.gz PWZMYCRWWVQBAR-VHDGCEQUSA-N 2 0 294.443 1.382 10 0 CDAERP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000417809287 391496239 /nfs/dbraw/zinc/49/62/39/391496239.db2.gz GYDJBHAUHFUJIZ-STQMWFEESA-N 2 0 269.433 1.596 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@H]2CC[NH2+]C[C@H]2C)C1 ZINC000417554316 391653991 /nfs/dbraw/zinc/65/39/91/391653991.db2.gz WDPQPORIVIPANE-ILXRZTDVSA-N 2 0 296.459 1.404 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417612659 391700407 /nfs/dbraw/zinc/70/04/07/391700407.db2.gz RLSRZTPHMCLAQN-YIONKMFJSA-N 2 0 296.459 1.643 10 0 CDAERP CCC[N@H+](C)CC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000361847814 391701764 /nfs/dbraw/zinc/70/17/64/391701764.db2.gz GIUXFHGLRDYIJL-AGUYFDCRSA-N 2 0 267.417 1.460 10 0 CDAERP COc1ccc(OC)c(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)c1 ZINC000415041832 391734692 /nfs/dbraw/zinc/73/46/92/391734692.db2.gz QEPDCDHIISPVDC-AAEUAGOBSA-N 2 0 264.369 1.921 10 0 CDAERP CC(C)(C)[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000371226564 391771385 /nfs/dbraw/zinc/77/13/85/391771385.db2.gz BWEZZXLTXDGQCB-JHJVBQTASA-N 2 0 267.417 1.350 10 0 CDAERP C[C@H](NC(=O)NCCC[NH3+])[C@H](c1ccccc1)[NH+](C)C ZINC000418161484 391771788 /nfs/dbraw/zinc/77/17/88/391771788.db2.gz BUWIIGBTTMEBTQ-GXTWGEPZSA-N 2 0 278.400 1.326 10 0 CDAERP C[C@H]1[C@@H](NC(=O)NCCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000418191964 391794564 /nfs/dbraw/zinc/79/45/64/391794564.db2.gz LTNTZTDOGBXQEU-ZFWWWQNUSA-N 2 0 290.411 1.297 10 0 CDAERP CCOCC[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000069901455 392005633 /nfs/dbraw/zinc/00/56/33/392005633.db2.gz QYQWOPIYNKVMMS-ZDUSSCGKSA-N 2 0 258.406 1.048 10 0 CDAERP C[NH+]1CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)CC1(C)C ZINC000646075703 391981329 /nfs/dbraw/zinc/98/13/29/391981329.db2.gz WJEAKANNPYWMFR-CQSZACIVSA-N 2 0 281.444 1.804 10 0 CDAERP CC(C)[C@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000336785473 392057313 /nfs/dbraw/zinc/05/73/13/392057313.db2.gz DRTPNQXEHPCKAV-HUUCEWRRSA-N 2 0 254.418 1.811 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCn2cc(C)cn2)C[C@@H]1C ZINC000336807749 392094838 /nfs/dbraw/zinc/09/48/38/392094838.db2.gz MWHZCLPCTBPQQN-GJZGRUSLSA-N 2 0 264.417 1.996 10 0 CDAERP CC1CC[NH+](CCNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000251700655 392240592 /nfs/dbraw/zinc/24/05/92/392240592.db2.gz OBEILDGYEHYHAK-OAGGEKHMSA-N 2 0 293.455 1.755 10 0 CDAERP CO[C@@H](CC[NH2+][C@H](C)[C@H]1CCC[NH2+]1)C(F)(F)F ZINC000423065026 392310345 /nfs/dbraw/zinc/31/03/45/392310345.db2.gz ATNXTYBOCBSUTB-BBBLOLIVSA-N 2 0 254.296 1.684 10 0 CDAERP CCOC(=O)c1csc(CC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000423072111 392316404 /nfs/dbraw/zinc/31/64/04/392316404.db2.gz PEFOCERBYLUFKW-GHMZBOCLSA-N 2 0 297.424 1.579 10 0 CDAERP C[C@H]([NH2+]CCCN1CCCC1=O)[C@H]1CCCC[NH2+]1 ZINC000422756332 392256862 /nfs/dbraw/zinc/25/68/62/392256862.db2.gz CDTHGXMJOZLKPH-QWHCGFSZSA-N 2 0 253.390 1.119 10 0 CDAERP C[C@@H]([NH2+]C[C@H](CO)Cc1ccc(F)c(F)c1)C1C[NH2+]C1 ZINC000423082991 392329680 /nfs/dbraw/zinc/32/96/80/392329680.db2.gz XZEMCPCKIHSJCD-ZYHUDNBSSA-N 2 0 284.350 1.313 10 0 CDAERP C[C@H]1C[N@H+](C)C[C@@H]1NCCC[NH2+]Cc1cccnc1 ZINC000423185606 392424324 /nfs/dbraw/zinc/42/43/24/392424324.db2.gz JTKLPEHMSAGSSK-ZFWWWQNUSA-N 2 0 262.401 1.101 10 0 CDAERP COc1cc2c(cc1F)CC[C@H]2[NH2+]CCN1CC[NH2+]CC1 ZINC000423209185 392446170 /nfs/dbraw/zinc/44/61/70/392446170.db2.gz UVSOPEAZUXWPIY-OAHLLOKOSA-N 2 0 293.386 1.316 10 0 CDAERP CC[NH2+]CCN[C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000423235521 392462616 /nfs/dbraw/zinc/46/26/16/392462616.db2.gz NGOZVKBINIOCTO-HZPDHXFCSA-N 2 0 277.412 1.687 10 0 CDAERP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000423167663 392405767 /nfs/dbraw/zinc/40/57/67/392405767.db2.gz FKSIASZTVRPEHU-UKRRQHHQSA-N 3 0 258.369 1.941 10 0 CDAERP C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000646481484 392484950 /nfs/dbraw/zinc/48/49/50/392484950.db2.gz NXSFGMCUXUUUEL-XDQVBPFNSA-N 2 0 267.417 1.268 10 0 CDAERP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CCC[NH3+] ZINC000437780846 392490869 /nfs/dbraw/zinc/49/08/69/392490869.db2.gz WIKGQICOKXLJGK-SNVBAGLBSA-N 2 0 269.776 1.996 10 0 CDAERP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CCC[NH3+])c1C ZINC000437805198 392493516 /nfs/dbraw/zinc/49/35/16/392493516.db2.gz WSIOTIQXUQWOAE-GFCCVEGCSA-N 2 0 263.385 1.959 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000646652232 392618793 /nfs/dbraw/zinc/61/87/93/392618793.db2.gz FGIXAYOGFNVZIM-KBPBESRZSA-N 2 0 267.417 1.509 10 0 CDAERP COCC[N@H+](C)CCC[NH2+][C@@H](C)Cc1ccoc1 ZINC000449074854 392629235 /nfs/dbraw/zinc/62/92/35/392629235.db2.gz CWDIDSBCMQWMQF-ZDUSSCGKSA-N 2 0 254.374 1.769 10 0 CDAERP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000646777237 392754773 /nfs/dbraw/zinc/75/47/73/392754773.db2.gz NPXFWUZHBOMPDM-CABCVRRESA-N 2 0 275.396 1.605 10 0 CDAERP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000646873359 393202281 /nfs/dbraw/zinc/20/22/81/393202281.db2.gz VMSDCGZKTDAFRE-PJIALRRASA-N 2 0 265.401 1.116 10 0 CDAERP Fc1ccc(OCC[NH+]2CCCC2)c(N2CC[NH2+]CC2)c1 ZINC000043461492 134904047 /nfs/dbraw/zinc/90/40/47/134904047.db2.gz RBLHMRJOEDNNKL-UHFFFAOYSA-N 2 0 293.386 1.710 10 0 CDAERP C[C@@H](C(=O)N(C[C@H]1CCC[NH2+]1)C1CC1)[NH+]1CCCCCC1 ZINC000186561963 140063999 /nfs/dbraw/zinc/06/39/99/140063999.db2.gz UBPHFPNMLBPSAQ-LSDHHAIUSA-N 2 0 293.455 1.994 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000245431354 140266830 /nfs/dbraw/zinc/26/68/30/140266830.db2.gz MYTFEEPSXDEILR-AWEZNQCLSA-N 2 0 282.432 1.208 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1COc2ccccc2O1 ZINC000250521995 140303936 /nfs/dbraw/zinc/30/39/36/140303936.db2.gz CSMUCIDRVPGABI-MELADBBJSA-N 2 0 276.380 1.934 10 0 CDAERP Cc1ccc(O)c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)n1 ZINC000252848328 140327005 /nfs/dbraw/zinc/32/70/05/140327005.db2.gz GMXUZUJHXNSTSA-AVGNSLFASA-N 2 0 261.369 1.655 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000261653791 140369686 /nfs/dbraw/zinc/36/96/86/140369686.db2.gz YOCBUWPFFUWSOZ-DGCLKSJQSA-N 2 0 262.353 1.545 10 0 CDAERP C[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1noc(CN)n1 ZINC000261846798 140398422 /nfs/dbraw/zinc/39/84/22/140398422.db2.gz UWILRTQNQWSNNV-VWYCJHECSA-N 2 0 250.346 1.681 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])N1C[C@@H](C)O[C@@H](C)C1 ZINC000656200218 413096535 /nfs/dbraw/zinc/09/65/35/413096535.db2.gz IHRQOCHDBXJPFB-IBEHDNSVSA-N 2 0 283.460 1.734 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000136317068 483389285 /nfs/dbraw/zinc/38/92/85/483389285.db2.gz MWVOSMJMDZSMIA-OLZOCXBDSA-N 2 0 255.406 1.350 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662594392 413165196 /nfs/dbraw/zinc/16/51/96/413165196.db2.gz QKJOAYOONIFELI-CQSZACIVSA-N 2 0 267.417 1.224 10 0 CDAERP CCN(CC)[C@H](C)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647797002 397607254 /nfs/dbraw/zinc/60/72/54/397607254.db2.gz UJLCNNKYAGGHIK-LXTVHRRPSA-N 2 0 253.434 1.694 10 0 CDAERP C[NH+](C)CCN1CCN(C/C=C/c2ccccc2)CC1=O ZINC000649688564 397898261 /nfs/dbraw/zinc/89/82/61/397898261.db2.gz HFIBSKQINASCQG-RMKNXTFCSA-N 2 0 287.407 1.406 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000418581811 296579827 /nfs/dbraw/zinc/57/98/27/296579827.db2.gz VAWSMWPQZNQCFK-KFWWJZLASA-N 2 0 294.443 1.254 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000654385475 413205814 /nfs/dbraw/zinc/20/58/14/413205814.db2.gz KIEBMHYITQOLKJ-BARDWOONSA-N 2 0 294.443 1.253 10 0 CDAERP CCO[C@@H]1C[C@@H](O)C12CC[NH+](CCC[NH+]1CCCC1)CC2 ZINC000119058877 147303988 /nfs/dbraw/zinc/30/39/88/147303988.db2.gz RIFRTNXAHDKQRD-HZPDHXFCSA-N 2 0 296.455 1.724 10 0 CDAERP CC[C@H]1CCC[N@@H+](C(C)(C)CNC2=[NH+]CCCN2)C1 ZINC000262254344 149040917 /nfs/dbraw/zinc/04/09/17/149040917.db2.gz DOHMVUOVUXMEOD-ZDUSSCGKSA-N 2 0 266.433 1.826 10 0 CDAERP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262380074 149055051 /nfs/dbraw/zinc/05/50/51/149055051.db2.gz NOWXWQYZHQWYDQ-RWMBFGLXSA-N 2 0 255.406 1.206 10 0 CDAERP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H](C)C1C[NH2+]C1 ZINC000262412868 149060186 /nfs/dbraw/zinc/06/01/86/149060186.db2.gz QTHVDUYJUGCYHY-GFCCVEGCSA-N 2 0 275.396 1.851 10 0 CDAERP C[C@H](C[NH3+])C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000262617994 149084730 /nfs/dbraw/zinc/08/47/30/149084730.db2.gz ZGUKYWVIMLPULR-CQSZACIVSA-N 2 0 289.423 1.884 10 0 CDAERP C[C@H]1C[C@H](N(C)C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@@H+]1C ZINC000262653674 149090552 /nfs/dbraw/zinc/09/05/52/149090552.db2.gz BJEHYQFXWDOXGE-NIOBXDJOSA-N 2 0 293.455 1.848 10 0 CDAERP C(NC1=[NH+]CCCN1)[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000262827681 149119002 /nfs/dbraw/zinc/11/90/02/149119002.db2.gz QSLJSEZOBXIASU-AWEZNQCLSA-N 2 0 264.417 1.722 10 0 CDAERP [NH3+]CC1CCN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)CC1 ZINC000335754068 150990635 /nfs/dbraw/zinc/99/06/35/150990635.db2.gz KPKCYTRMQZLVOK-UHFFFAOYSA-N 2 0 287.407 1.186 10 0 CDAERP C[NH+]1CCC(CC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000347040924 153389511 /nfs/dbraw/zinc/38/95/11/153389511.db2.gz JNJAVQWTQBOVRV-ZDUSSCGKSA-N 2 0 265.401 1.071 10 0 CDAERP C[C@@H]1C[C@H]1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000349364473 154099726 /nfs/dbraw/zinc/09/97/26/154099726.db2.gz GQEWCCFDUFEEBV-VPEURPPWSA-N 2 0 277.456 1.885 10 0 CDAERP C[C@@H](CNC(=O)C[C@H]1CC[NH2+]C1)[N@@H+]1CCCC[C@@H]1C ZINC000662679505 413299719 /nfs/dbraw/zinc/29/97/19/413299719.db2.gz PJQDCZQJPYNFNO-MELADBBJSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)([NH3+])c1cc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)on1 ZINC000662681619 413302509 /nfs/dbraw/zinc/30/25/09/413302509.db2.gz KFPKMUUBSINYCD-WDEREUQCSA-N 2 0 292.383 1.225 10 0 CDAERP CCC[NH+]1CCC([NH2+][C@H]2C[C@@H](O)C23CCC3)CC1 ZINC000658251426 413313291 /nfs/dbraw/zinc/31/32/91/413313291.db2.gz HDDNLYLCRQKAAT-UONOGXRCSA-N 2 0 252.402 1.754 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662691178 413320257 /nfs/dbraw/zinc/32/02/57/413320257.db2.gz GMIKDUKOPZBLMX-LBPRGKRZSA-N 2 0 267.417 1.495 10 0 CDAERP CC[C@H](C[NH+]1CCCC1)NC(=O)N(CC)[C@H]1CC[N@H+](C)C1 ZINC000664406596 413356009 /nfs/dbraw/zinc/35/60/09/413356009.db2.gz AWCJZFJBJAZQMT-CABCVRRESA-N 2 0 296.459 1.596 10 0 CDAERP CCN(CC)C(=O)C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000374206908 160264201 /nfs/dbraw/zinc/26/42/01/160264201.db2.gz GKIIJGRCBQKICU-UHFFFAOYSA-N 2 0 264.373 1.458 10 0 CDAERP C[C@@H](NCC1([NH+](C)C)CCCCC1)[C@H]1CC[NH2+]C1 ZINC000400328476 287018467 /nfs/dbraw/zinc/01/84/67/287018467.db2.gz BBKQSPXPNZBEQA-KGLIPLIRSA-N 2 0 253.434 1.839 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C3([NH2+]C4CC4)CCC3)C[C@H]21 ZINC000662766912 413464532 /nfs/dbraw/zinc/46/45/32/413464532.db2.gz PUWRAZYHRYFMEO-MRVWCRGKSA-N 2 0 277.412 1.247 10 0 CDAERP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001665659221 1173032490 /nfs/dbraw/zinc/03/24/90/1173032490.db2.gz JWHWAEXAJRXCOA-AWEZNQCLSA-N 2 0 267.417 1.271 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001665675996 1173035301 /nfs/dbraw/zinc/03/53/01/1173035301.db2.gz HEPLSILSIFHCAI-OAHLLOKOSA-N 2 0 293.455 1.805 10 0 CDAERP CC[NH+](CC)CCNC(=O)[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000019515112 170822684 /nfs/dbraw/zinc/82/26/84/170822684.db2.gz NMNGCSVTADZCSL-HZSPNIEDSA-N 2 0 267.417 1.365 10 0 CDAERP [NH3+]C[C@@H](c1ccc(F)cc1)N1CC[NH+](CC2CC2)CC1 ZINC000020179525 171044232 /nfs/dbraw/zinc/04/42/32/171044232.db2.gz MDPAQGKFYJEGOB-INIZCTEOSA-N 2 0 277.387 1.853 10 0 CDAERP C[C@H](CC(=O)NCCC1(C[NH3+])CC1)C1CC[NH2+]CC1 ZINC000653215848 412143153 /nfs/dbraw/zinc/14/31/53/412143153.db2.gz DZRBENZNWFKFBS-GFCCVEGCSA-N 2 0 267.417 1.257 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000653176372 412116410 /nfs/dbraw/zinc/11/64/10/412116410.db2.gz RTRZBXKTORRRKA-DZGCQCFKSA-N 2 0 267.417 1.080 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000653176374 412116433 /nfs/dbraw/zinc/11/64/33/412116433.db2.gz RTRZBXKTORRRKA-UKRRQHHQSA-N 2 0 267.417 1.080 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000653214348 412142524 /nfs/dbraw/zinc/14/25/24/412142524.db2.gz QTGDQNRXKVNHJO-DOTOQJQBSA-N 2 0 289.423 1.930 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)NCc1ccc(C[NH3+])cc1F ZINC000653222811 412147441 /nfs/dbraw/zinc/14/74/41/412147441.db2.gz PMEMZVGOINWMGC-AWEZNQCLSA-N 2 0 293.386 1.679 10 0 CDAERP C[NH+](C)C[C@H](NC(=O)CC1([NH3+])CC1)c1ccc(Cl)cc1 ZINC000662791354 413508329 /nfs/dbraw/zinc/50/83/29/413508329.db2.gz KKPKFWAYOWSSMV-ZDUSSCGKSA-N 2 0 295.814 1.940 10 0 CDAERP CCO[C@@H]1C[N@H+](CCc2scnc2C)C[C@H]1C[NH3+] ZINC000405259530 413532813 /nfs/dbraw/zinc/53/28/13/413532813.db2.gz PACUPPHQHBGAMT-VXGBXAGGSA-N 2 0 269.414 1.290 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000660834992 413537100 /nfs/dbraw/zinc/53/71/00/413537100.db2.gz CPJQMFXINMVWHE-KBPBESRZSA-N 2 0 298.475 1.889 10 0 CDAERP O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@@H]1CCC[NH2+]C1 ZINC000662835288 413572133 /nfs/dbraw/zinc/57/21/33/413572133.db2.gz LVGUWTMLNWJJJP-RDBSUJKOSA-N 2 0 265.401 1.119 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N(C)CC2C[NH+](C)C2)CC1 ZINC000660857335 413587947 /nfs/dbraw/zinc/58/79/47/413587947.db2.gz LTDSBLZUGVWUNP-UHFFFAOYSA-N 2 0 296.459 1.311 10 0 CDAERP C[C@H]1CC(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C[C@H](C)C1 ZINC000656705962 413579154 /nfs/dbraw/zinc/57/91/54/413579154.db2.gz MGQBTCQATABYQH-BFYDXBDKSA-N 2 0 297.487 1.257 10 0 CDAERP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000662885816 413655184 /nfs/dbraw/zinc/65/51/84/413655184.db2.gz XGMBNYSOKXECGY-REBRKWNGSA-N 2 0 287.363 1.036 10 0 CDAERP CC[NH+](CC)CC(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662894924 413673168 /nfs/dbraw/zinc/67/31/68/413673168.db2.gz XKUUBUUMKDXZMJ-ZIAGYGMSSA-N 2 0 269.433 1.694 10 0 CDAERP C[C@@H]1CN(C(=O)[C@H]2CCCC[C@]2(C)[NH3+])C[C@@]1(C)C[NH3+] ZINC000417844226 296895974 /nfs/dbraw/zinc/89/59/74/296895974.db2.gz RHTANAOSZPJCEI-GBOPCIDUSA-N 2 0 267.417 1.337 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC000659446939 413834125 /nfs/dbraw/zinc/83/41/25/413834125.db2.gz KQQWMSPQAROWDM-UHFFFAOYSA-N 2 0 284.448 1.487 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000659467820 413855668 /nfs/dbraw/zinc/85/56/68/413855668.db2.gz PEOWXUILZDJJTB-MBNYWOFBSA-N 2 0 282.432 1.284 10 0 CDAERP O=C(NCCC[NH+]1CCCCC1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407373852 413945689 /nfs/dbraw/zinc/94/56/89/413945689.db2.gz NHKMZMWLGAGDNV-GJZGRUSLSA-N 2 0 279.428 1.509 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659495286 413888588 /nfs/dbraw/zinc/88/85/88/413888588.db2.gz KLTLMWWDFKEOCR-UONOGXRCSA-N 2 0 284.448 1.533 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659552413 413960749 /nfs/dbraw/zinc/96/07/49/413960749.db2.gz XYAVLJSERKWZTH-RWMBFGLXSA-N 2 0 282.432 1.428 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1)C1CC1 ZINC000407431979 413962816 /nfs/dbraw/zinc/96/28/16/413962816.db2.gz POAGERFXEDVLHP-ZIAGYGMSSA-N 2 0 265.401 1.118 10 0 CDAERP COc1ccnc(C[NH2+]C2CCC(C[NH3+])CC2)c1F ZINC000665267601 414001849 /nfs/dbraw/zinc/00/18/49/414001849.db2.gz ZJQNDPWALRGEFX-UHFFFAOYSA-N 2 0 267.348 1.836 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2ccco2)CC1 ZINC000665285653 414023911 /nfs/dbraw/zinc/02/39/11/414023911.db2.gz SUMSCDYUOQKXFN-ZDUSSCGKSA-N 2 0 293.411 1.921 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)CCCOC)CC1 ZINC000665287679 414024241 /nfs/dbraw/zinc/02/42/41/414024241.db2.gz RKVKHKGHZCUIFW-AWEZNQCLSA-N 2 0 299.459 1.382 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000659624098 414036015 /nfs/dbraw/zinc/03/60/15/414036015.db2.gz JRZFGIZVMKEKRO-CQSZACIVSA-N 2 0 284.448 1.343 10 0 CDAERP CCN1CCC[C@@H]1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657288447 414110601 /nfs/dbraw/zinc/11/06/01/414110601.db2.gz BRNQCWFVCHSDKT-OAHLLOKOSA-N 2 0 285.395 1.841 10 0 CDAERP CN(C)C(=O)c1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)[nH]1 ZINC000655827272 414235839 /nfs/dbraw/zinc/23/58/39/414235839.db2.gz PQTFFCAPAPHYIH-BJHJDKERSA-N 2 0 278.400 1.146 10 0 CDAERP CC(C)C[N@H+](C)CCCNC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655792762 414178154 /nfs/dbraw/zinc/17/81/54/414178154.db2.gz OWZSTCBKJLFVJE-KRWDZBQOSA-N 2 0 297.487 1.807 10 0 CDAERP CCC[NH+]1CCC([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000655807975 414202307 /nfs/dbraw/zinc/20/23/07/414202307.db2.gz YVSGYUQQWQCGLN-OTVXOJSOSA-N 3 0 253.434 1.791 10 0 CDAERP CC(C)[C@H](O)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657365847 414239331 /nfs/dbraw/zinc/23/93/31/414239331.db2.gz JNVGCZQOIJNVAP-CQSZACIVSA-N 2 0 260.341 1.374 10 0 CDAERP [NH3+]C[C@H]1CCCC[C@H]1NCc1nc2c(s1)C[NH2+]CC2 ZINC000663495230 414292121 /nfs/dbraw/zinc/29/21/21/414292121.db2.gz WCMCMMALEPVTMM-GHMZBOCLSA-N 2 0 280.441 1.396 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CC[NH+]1C[C@H]2COC[C@@]2(C)C1 ZINC000661702343 414293418 /nfs/dbraw/zinc/29/34/18/414293418.db2.gz PQLSTPDPPNPZTJ-RRFJBIMHSA-N 2 0 252.402 1.829 10 0 CDAERP CC[C@@H](CO)[NH+]1CCN(CC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000659961331 414297863 /nfs/dbraw/zinc/29/78/63/414297863.db2.gz SWEMQSNAEQTBEZ-BBWFWOEESA-N 2 0 297.487 1.353 10 0 CDAERP COC[C@H](C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)OC ZINC000660013428 414359708 /nfs/dbraw/zinc/35/97/08/414359708.db2.gz XKVYGZWCLASXCZ-IHRRRGAJSA-N 2 0 256.390 1.064 10 0 CDAERP C[C@H]1CC[C@H](C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)O1 ZINC000657488415 414387879 /nfs/dbraw/zinc/38/78/79/414387879.db2.gz CMNZICSCTBUSLH-SWLSCSKDSA-N 2 0 272.352 1.924 10 0 CDAERP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)CC[NH2+]1 ZINC000663514373 414320786 /nfs/dbraw/zinc/32/07/86/414320786.db2.gz QCNVEJDUSTYTKT-PMPSAXMXSA-N 3 0 283.460 1.417 10 0 CDAERP O[C@@H]1CC[N@@H+](C2CC[NH+](CCCC3CCOCC3)CC2)C1 ZINC000662151446 414538922 /nfs/dbraw/zinc/53/89/22/414538922.db2.gz HOMDDZMVVMUBAZ-QGZVFWFLSA-N 2 0 296.455 1.724 10 0 CDAERP NC(=O)c1cccc2c1CC[N@H+](CCn1ccnc1)C2 ZINC000662298971 414623669 /nfs/dbraw/zinc/62/36/69/414623669.db2.gz IBJMOYKKRRXLSM-UHFFFAOYSA-N 2 0 270.336 1.040 10 0 CDAERP Cc1cccc(OCC[N@@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662248760 414583718 /nfs/dbraw/zinc/58/37/18/414583718.db2.gz JERXJLDNOUOISL-INIZCTEOSA-N 2 0 290.407 1.827 10 0 CDAERP C[C@@H]1CCC[N@H+](CC(=O)NC(C)(C)C)[C@@H]1CCC[NH3+] ZINC000662312923 414633624 /nfs/dbraw/zinc/63/36/24/414633624.db2.gz AUFSNAOMIBDVPP-CHWSQXEVSA-N 2 0 269.433 1.741 10 0 CDAERP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@@H](O)CC2CCCC2)CCO1 ZINC000662321318 414641113 /nfs/dbraw/zinc/64/11/13/414641113.db2.gz BKHCROFYHRVXSX-DLBZAZTESA-N 2 0 298.471 1.970 10 0 CDAERP CC[C@H](C)[C@H]([NH3+])C(=O)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000040468998 174277544 /nfs/dbraw/zinc/27/75/44/174277544.db2.gz YUYYUQRLNSJBCK-WYTNZGFTSA-N 2 0 267.417 1.349 10 0 CDAERP [NH3+]CCCC[NH2+][C@H]1CCN(CCc2ccccc2)C1 ZINC000040671480 174369451 /nfs/dbraw/zinc/36/94/51/174369451.db2.gz HASGUPCHAJFZCN-INIZCTEOSA-N 2 0 261.413 1.632 10 0 CDAERP C[C@H]([NH3+])[C@@H](c1ccncc1)N1CC[NH+](C(C)(C)C)CC1 ZINC000043354127 175021425 /nfs/dbraw/zinc/02/14/25/175021425.db2.gz SKYCVCCCYRESEZ-ZFWWWQNUSA-N 2 0 276.428 1.886 10 0 CDAERP CCC[NH+]1CCN(C[C@@H]([NH2+]C)c2ccccc2)CC1 ZINC000043805198 175107464 /nfs/dbraw/zinc/10/74/64/175107464.db2.gz IMUNGAUYOXQIIC-MRXNPFEDSA-N 2 0 261.413 1.975 10 0 CDAERP C[NH2+][C@@H](CN1CCC[N@H+](C)CC1)c1ccccc1OC ZINC000043818073 175112904 /nfs/dbraw/zinc/11/29/04/175112904.db2.gz FZWUETMZDVJQNY-HNNXBMFYSA-N 2 0 277.412 1.593 10 0 CDAERP CCC[NH2+][C@H]1CCC[C@@H]1N(CCOC)[C@@H](C)COC ZINC000043976023 175133038 /nfs/dbraw/zinc/13/30/38/175133038.db2.gz FLHKDLWAEZWITG-KKUMJFAQSA-N 2 0 272.433 1.890 10 0 CDAERP CCC[NH2+][C@@H]1CCOC[C@H]1N(C)C1CC[NH+](CC)CC1 ZINC000043978574 175133720 /nfs/dbraw/zinc/13/37/20/175133720.db2.gz PNUWVCASHLFASW-HZPDHXFCSA-N 2 0 283.460 1.560 10 0 CDAERP CC(C)OC(=O)N1CCC[N@H+](C[C@@H](C)C[NH3+])CC1 ZINC000044239590 175155502 /nfs/dbraw/zinc/15/55/02/175155502.db2.gz LFXQMQTWPYNMAB-LBPRGKRZSA-N 2 0 257.378 1.134 10 0 CDAERP CC[NH2+][C@H]1CC[N@H+](CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000044518804 175191351 /nfs/dbraw/zinc/19/13/51/175191351.db2.gz PRZZYJWJFXVUEW-ZFWWWQNUSA-N 3 0 253.434 1.648 10 0 CDAERP CCC[NH2+]CC(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000044646685 175223290 /nfs/dbraw/zinc/22/32/90/175223290.db2.gz SLHNURCFHZYQLU-CYBMUJFWSA-N 2 0 255.406 1.367 10 0 CDAERP CCC[NH2+]CC(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000044648683 175223625 /nfs/dbraw/zinc/22/36/25/175223625.db2.gz BMRBIFGHYYZSEL-UHFFFAOYSA-N 2 0 279.384 1.565 10 0 CDAERP CCC[C@H](C[NH3+])C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000044806142 175256376 /nfs/dbraw/zinc/25/63/76/175256376.db2.gz IIPHFGBRRDVBNU-QWHCGFSZSA-N 2 0 255.406 1.352 10 0 CDAERP C[C@H](C(=O)N1CC[NH2+]CC1)[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045074034 175302453 /nfs/dbraw/zinc/30/24/53/175302453.db2.gz ZJQPLJGKEDEJJJ-UKRRQHHQSA-N 2 0 279.428 1.461 10 0 CDAERP CCN[C@](C)(CC[NH+]1CCC(C[NH+](C)C)CC1)C(=O)OC ZINC000045277118 175347194 /nfs/dbraw/zinc/34/71/94/175347194.db2.gz XDWFAQSCGLNKSU-MRXNPFEDSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[NH+]1CCN(CCCC[C@](C)([NH2+]CC)C(N)=O)CC1 ZINC000045373923 175365295 /nfs/dbraw/zinc/36/52/95/175365295.db2.gz KDFYGHOOBUYFBM-INIZCTEOSA-N 2 0 298.475 1.038 10 0 CDAERP CCC[NH+]1CCN(CCCC[C@](C)([NH3+])C(=O)OCC)CC1 ZINC000045373892 175365474 /nfs/dbraw/zinc/36/54/74/175365474.db2.gz RYJAQAWVLHYTPI-INIZCTEOSA-N 2 0 299.459 1.465 10 0 CDAERP C[NH2+][C@](C)(CCCC[N@@H+]1CCc2ccccc2C1)C(N)=O ZINC000045378764 175368710 /nfs/dbraw/zinc/36/87/10/175368710.db2.gz GUZJDWHLXQZLID-QGZVFWFLSA-N 2 0 289.423 1.678 10 0 CDAERP CC[NH2+][C@H]1CCCN(CCCC[N@H+](C)C(C)C)C1=O ZINC000071034904 176024787 /nfs/dbraw/zinc/02/47/87/176024787.db2.gz UMRKZROAHPAFFA-AWEZNQCLSA-N 2 0 269.433 1.707 10 0 CDAERP CCC[NH2+][C@H]1CCCN(C2CC[NH+](C)CC2)C1=O ZINC000071039798 176027218 /nfs/dbraw/zinc/02/72/18/176027218.db2.gz AAICEOVTBURNOJ-ZDUSSCGKSA-N 2 0 253.390 1.071 10 0 CDAERP C[NH2+]C[C@H]1CC[N@H+](C[C@@H]2CO[C@](C)(c3ccccc3)O2)C1 ZINC000071145603 176041947 /nfs/dbraw/zinc/04/19/47/176041947.db2.gz ZUUXSCYLJRMXPK-OIISXLGYSA-N 2 0 290.407 1.816 10 0 CDAERP C[C@H](C1CCCCC1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071149007 176044631 /nfs/dbraw/zinc/04/46/31/176044631.db2.gz GTCGFSKFTRWNKW-CQSZACIVSA-N 2 0 253.434 1.792 10 0 CDAERP C[C@@H]1CC[C@@H](C[NH3+])[C@H](N(C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071188208 176062489 /nfs/dbraw/zinc/06/24/89/176062489.db2.gz MNIYMQASTUYKCT-APIJFGDWSA-N 2 0 253.434 1.633 10 0 CDAERP CC[C@H]([NH3+])[C@@H](N(C)C[C@@H]1CC[N@H+](C)C1)C(F)(F)F ZINC000071188144 176062565 /nfs/dbraw/zinc/06/25/65/176062565.db2.gz LKOBWDYTHWSJAO-OUAUKWLOSA-N 2 0 267.339 1.538 10 0 CDAERP CC(C)[NH2+]Cc1ccc(N(C)C[C@@H]2CC[N@H+](C)C2)nc1 ZINC000071191664 176072231 /nfs/dbraw/zinc/07/22/31/176072231.db2.gz RBJHJDRIVLGEAE-OAHLLOKOSA-N 2 0 276.428 1.968 10 0 CDAERP [NH3+]Cc1cc(F)ccc1CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000071263683 176096421 /nfs/dbraw/zinc/09/64/21/176096421.db2.gz GKTXSURIKAWNEP-MRXNPFEDSA-N 2 0 277.387 1.955 10 0 CDAERP Cc1cccc([C@@H](C[NH3+])N2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000071380175 176144183 /nfs/dbraw/zinc/14/41/83/176144183.db2.gz FRRLCYDJAQKYJT-MRXNPFEDSA-N 2 0 291.439 1.383 10 0 CDAERP C[C@@H]([NH3+])[C@@H](c1cccs1)N1CC[NH+](CC(C)(C)O)CC1 ZINC000071380221 176144362 /nfs/dbraw/zinc/14/43/62/176144362.db2.gz SMDGXNQGUOGMNU-OCCSQVGLSA-N 2 0 297.468 1.525 10 0 CDAERP C[C@H]1CC[C@H](C[NH3+])[C@H](N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000071380503 176144736 /nfs/dbraw/zinc/14/47/36/176144736.db2.gz NSLVAHNXMROGSI-RRFJBIMHSA-N 2 0 283.460 1.138 10 0 CDAERP CC(C)(O)C[NH+]1CCN(CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000071381789 176145563 /nfs/dbraw/zinc/14/55/63/176145563.db2.gz HUERISPNSCIHNZ-MRXNPFEDSA-N 2 0 291.439 1.465 10 0 CDAERP COC(OC)[C@H](C)[NH2+]CC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000079617178 177526250 /nfs/dbraw/zinc/52/62/50/177526250.db2.gz UMAUFAMZKGTIHL-WODVXLOZSA-N 2 0 256.390 1.456 10 0 CDAERP Cc1nc[nH]c1CC(=O)NC[C@@H](C)C[NH2+]C/C=C/Cl ZINC001666657255 1173168720 /nfs/dbraw/zinc/16/87/20/1173168720.db2.gz WMGPRYRNMSEGND-FSIBCCDJSA-N 2 0 284.791 1.355 10 0 CDAERP CN(C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000655446689 423864505 /nfs/dbraw/zinc/86/45/05/423864505.db2.gz HTNKKDYUZRWXGM-OFQRWUPVSA-N 2 0 277.412 1.071 10 0 CDAERP CO[C@H](C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)C1CCC1 ZINC000662274916 423842310 /nfs/dbraw/zinc/84/23/10/423842310.db2.gz YNVBCZYMKQPUAY-LSDHHAIUSA-N 2 0 282.428 1.489 10 0 CDAERP O=C(CC[N@@H+]1CCC[C@H](C2CCC2)C1)N1CC[NH2+]CC1 ZINC000662317299 423952074 /nfs/dbraw/zinc/95/20/74/423952074.db2.gz OIHFOJSKYRSLAI-HNNXBMFYSA-N 2 0 279.428 1.320 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000659524376 423902233 /nfs/dbraw/zinc/90/22/33/423902233.db2.gz SVHSGOSYMUNTRG-YNEHKIRRSA-N 2 0 270.421 1.177 10 0 CDAERP CN(Cc1cccc2c1CC[NH2+]C2)[C@H](C[NH3+])C(F)(F)F ZINC000662331604 423968083 /nfs/dbraw/zinc/96/80/83/423968083.db2.gz OEAZBPIATZNBDS-CYBMUJFWSA-N 2 0 287.329 1.654 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000652217087 424073686 /nfs/dbraw/zinc/07/36/86/424073686.db2.gz OJZXBBBZZIMNFV-SWLSCSKDSA-N 2 0 290.411 1.346 10 0 CDAERP C[C@H](CCC[NH3+])NC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659553101 424089671 /nfs/dbraw/zinc/08/96/71/424089671.db2.gz LHGRMEUHYXQMNK-UKRRQHHQSA-N 2 0 296.459 1.535 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)NC[C@H]([NH3+])C(C)C ZINC000652206423 424029230 /nfs/dbraw/zinc/02/92/30/424029230.db2.gz HZVYUJMOGUKPTR-ZDUSSCGKSA-N 2 0 272.437 1.247 10 0 CDAERP CC[C@H]1C[N@H+](CC)CCN1C(=O)NCCC1(C[NH3+])CC1 ZINC000652233074 424105052 /nfs/dbraw/zinc/10/50/52/424105052.db2.gz MFVWMUIWAGBCPI-ZDUSSCGKSA-N 2 0 282.432 1.241 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000652223737 424098367 /nfs/dbraw/zinc/09/83/67/424098367.db2.gz MLPUMNLYFPUDSB-KGLIPLIRSA-N 2 0 284.448 1.391 10 0 CDAERP C[C@@H]([NH3+])c1ccc(C(=O)N[C@@H](C[NH3+])C(F)(F)F)cc1 ZINC000655518577 424200706 /nfs/dbraw/zinc/20/07/06/424200706.db2.gz HKMDKHHCTZOPHB-XCBNKYQSSA-N 2 0 275.274 1.326 10 0 CDAERP CCC[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662592358 424211861 /nfs/dbraw/zinc/21/18/61/424211861.db2.gz JBGZJZNYYPXGDP-NWDGAFQWSA-N 2 0 255.406 1.350 10 0 CDAERP CN(C(=O)NCCC1CC[NH2+]CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000652313407 424223210 /nfs/dbraw/zinc/22/32/10/424223210.db2.gz UGIBSQPGLYTWSD-OAHLLOKOSA-N 2 0 294.443 1.254 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653115671 424294428 /nfs/dbraw/zinc/29/44/28/424294428.db2.gz WURCITDFTDOQRH-GMTAPVOTSA-N 2 0 295.349 1.231 10 0 CDAERP CC(=O)NC1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000652337537 424255156 /nfs/dbraw/zinc/25/51/56/424255156.db2.gz SGDJZNPJSXYIHT-UHFFFAOYSA-N 2 0 287.407 1.433 10 0 CDAERP COCCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652363399 424313929 /nfs/dbraw/zinc/31/39/29/424313929.db2.gz DALFQOJDNSFJPD-MCIONIFRSA-N 2 0 256.390 1.384 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000653126293 424322814 /nfs/dbraw/zinc/32/28/14/424322814.db2.gz RMKKXXCRXPJHEJ-GBJTYRQASA-N 2 0 279.428 1.495 10 0 CDAERP C[C@@H]1CC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)CS1 ZINC000655698674 424435636 /nfs/dbraw/zinc/43/56/36/424435636.db2.gz SCCJIZKJILTEDH-RDBSUJKOSA-N 2 0 272.458 1.707 10 0 CDAERP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655483172 424482750 /nfs/dbraw/zinc/48/27/50/424482750.db2.gz FJFBSDPULKCGBV-LZLYRXPVSA-N 2 0 299.418 1.461 10 0 CDAERP CCC(C)(C)[NH+]1CCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000655495069 424542594 /nfs/dbraw/zinc/54/25/94/424542594.db2.gz RUVZPLOZMNIKMO-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000662925929 424561539 /nfs/dbraw/zinc/56/15/39/424561539.db2.gz GEVBDHPNEAGKQP-UKRRQHHQSA-N 2 0 263.385 1.350 10 0 CDAERP CC(C)C[C@H]([NH3+])c1noc([C@@]2(C(F)(F)F)CC[NH2+]C2)n1 ZINC000663155879 424661586 /nfs/dbraw/zinc/66/15/86/424661586.db2.gz RJOULGHZUUSMQF-GZMMTYOYSA-N 2 0 292.305 1.909 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)CC[NH2+]C2CC2)CC1 ZINC000515310976 270431428 /nfs/dbraw/zinc/43/14/28/270431428.db2.gz AHMMINSMRYAZKP-UHFFFAOYSA-N 2 0 267.417 1.365 10 0 CDAERP CC1(C)CC(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000530218333 271159541 /nfs/dbraw/zinc/15/95/41/271159541.db2.gz MEMLGMMGOSHBTN-CQSZACIVSA-N 2 0 251.418 1.402 10 0 CDAERP CN1C(=O)c2ccccc2[C@@H]1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000530221416 271162638 /nfs/dbraw/zinc/16/26/38/271162638.db2.gz FGLVMSQLQAFCCF-CQDKDKBSSA-N 2 0 273.380 1.530 10 0 CDAERP O[C@@H](CNC[C@H]1CC[N@@H+]1C1CCCCC1)C[NH+]1CCCC1 ZINC000530236742 271176742 /nfs/dbraw/zinc/17/67/42/271176742.db2.gz QROCKVTXJSXDRO-SJORKVTESA-N 2 0 295.471 1.440 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)N2CCOCC2)[C@H](C)C1 ZINC000123312017 276228916 /nfs/dbraw/zinc/22/89/16/276228916.db2.gz CUVAUBASNDEVRI-KFWWJZLASA-N 2 0 269.433 1.027 10 0 CDAERP COc1cc(N2CC[NH+](C)CC2)[nH+]c2c1NCCC2 ZINC000095908434 277825809 /nfs/dbraw/zinc/82/58/09/277825809.db2.gz HIMRNGLCNMFHSO-UHFFFAOYSA-N 2 0 262.357 1.200 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000417835402 278220935 /nfs/dbraw/zinc/22/09/35/278220935.db2.gz NXWAJUAEOSWSJU-IJLUTSLNSA-N 2 0 253.390 1.008 10 0 CDAERP CC[NH+](CC)CCNC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000055122971 279105575 /nfs/dbraw/zinc/10/55/75/279105575.db2.gz WQIXWYFAFUXRRO-OLZOCXBDSA-N 2 0 255.406 1.352 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@H](C)C[NH3+] ZINC000414870267 279185863 /nfs/dbraw/zinc/18/58/63/279185863.db2.gz BXHRIEQOFMCACV-LLVKDONJSA-N 3 0 259.357 1.260 10 0 CDAERP CC[NH+]1CCC(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000113580969 279260992 /nfs/dbraw/zinc/26/09/92/279260992.db2.gz ZGMLRGMPYYVCMM-DZGCQCFKSA-N 2 0 294.443 1.349 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[NH+](C(C)C)C[C@H]1C ZINC000247073191 279267602 /nfs/dbraw/zinc/26/76/02/279267602.db2.gz IXSLEUWUYDQAPY-QLFBSQMISA-N 2 0 281.444 1.706 10 0 CDAERP CCC[C@@H](C(=O)NCCC1CC[NH+](C)CC1)[NH+](C)C ZINC000129321177 279596683 /nfs/dbraw/zinc/59/66/83/279596683.db2.gz QZUIXJFBVBLJSF-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](CC(C)C)C[NH+](C)C)[NH+](C)C ZINC000126568428 280080873 /nfs/dbraw/zinc/08/08/73/280080873.db2.gz DQCVHEHAKQMIPY-STQMWFEESA-N 2 0 257.422 1.419 10 0 CDAERP C[NH+](C)CCOCC[NH2+]Cc1ccnc2ccccc12 ZINC000231676303 280120105 /nfs/dbraw/zinc/12/01/05/280120105.db2.gz GFEYSISBHLFCNL-UHFFFAOYSA-N 2 0 273.380 1.903 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCN(C[C@@H](O)CC(F)(F)F)C1 ZINC000248946773 280396425 /nfs/dbraw/zinc/39/64/25/280396425.db2.gz DMMIIQIAIWDKTD-NEPJUHHUSA-N 2 0 282.350 1.963 10 0 CDAERP NC(=O)[C@H](C[NH2+][C@@H]1CCC[NH2+]CC1)Cc1ccc(F)cc1 ZINC000514847091 280852537 /nfs/dbraw/zinc/85/25/37/280852537.db2.gz DMTPNJVQQONWJT-DZGCQCFKSA-N 2 0 293.386 1.201 10 0 CDAERP CCC([NH3+])(CC)CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000515811202 280911254 /nfs/dbraw/zinc/91/12/54/280911254.db2.gz ZCJNWZUJGDCPQV-AWEZNQCLSA-N 2 0 282.432 1.289 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000519633671 281033786 /nfs/dbraw/zinc/03/37/86/281033786.db2.gz UTENMWKTTBUQQD-KFWWJZLASA-N 2 0 296.459 1.548 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000251837286 288296959 /nfs/dbraw/zinc/29/69/59/288296959.db2.gz QCCNNQMOSHQSNY-QLFBSQMISA-N 2 0 291.439 1.461 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC[C@H]1CCC[NH2+]C1 ZINC000251883751 288305701 /nfs/dbraw/zinc/30/57/01/288305701.db2.gz UZXDSKLBWBFROS-RBSFLKMASA-N 2 0 251.418 1.545 10 0 CDAERP CCC(CC)(C[NH3+])C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088164067 282069498 /nfs/dbraw/zinc/06/94/98/282069498.db2.gz YZMOHAGAXOJTIB-AGUYFDCRSA-N 2 0 281.444 1.883 10 0 CDAERP CCN(CC[NH2+]C/C=C\Cl)C(=O)C[N@H+](C)C(C)C ZINC001668652703 1173435460 /nfs/dbraw/zinc/43/54/60/1173435460.db2.gz UZVNSGRPMHHYOP-SREVYHEPSA-N 2 0 275.824 1.517 10 0 CDAERP CCOCCN1CCN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]1CC ZINC000152201762 289121618 /nfs/dbraw/zinc/12/16/18/289121618.db2.gz DMGRUNAMGNNZQY-LSDHHAIUSA-N 2 0 299.459 1.286 10 0 CDAERP C[NH+](C)CCOCC[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000341381565 289170336 /nfs/dbraw/zinc/17/03/36/289170336.db2.gz VDUZJHDIAVTZEF-BZUAXINKSA-N 2 0 284.444 1.750 10 0 CDAERP C[C@H](C(=O)N(C)[C@H]1CC[NH+](C2CC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000444010635 289256122 /nfs/dbraw/zinc/25/61/22/289256122.db2.gz HBWDGUOENWWBHL-CTASWTNQSA-N 2 0 293.455 1.943 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)NC2CC[NH+](C)CC2)CC1 ZINC000157668203 289291841 /nfs/dbraw/zinc/29/18/41/289291841.db2.gz QQJQNXFMSXXHAX-UHFFFAOYSA-N 2 0 296.459 1.502 10 0 CDAERP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(S(N)(=O)=O)cc1 ZINC000093211595 290049533 /nfs/dbraw/zinc/04/95/33/290049533.db2.gz RURSQWULQAFBKR-DRZSPHRISA-N 2 0 297.424 1.255 10 0 CDAERP CN1CCO[C@H](C[N@H+](CC2CC2)C[C@@H]2CCC[NH2+]C2)C1 ZINC000262052632 290108101 /nfs/dbraw/zinc/10/81/01/290108101.db2.gz ZSPNAASRYBMCIR-CVEARBPZSA-N 2 0 281.444 1.029 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCC[C@H](C)C2)C1 ZINC000553369961 290115944 /nfs/dbraw/zinc/11/59/44/290115944.db2.gz IAVPHYYTWCLGSL-LSDHHAIUSA-N 2 0 295.471 1.955 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)[C@@H]2CCC[C@H]21 ZINC000423550463 290224627 /nfs/dbraw/zinc/22/46/27/290224627.db2.gz SVMZCPWCESVPBA-IAFLNBNSSA-N 3 0 277.456 1.837 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCn1c(C)nc2ccccc21 ZINC000234787268 293095917 /nfs/dbraw/zinc/09/59/17/293095917.db2.gz WIBCJKQIEGPTNL-AWEZNQCLSA-N 2 0 290.411 1.688 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CC[NH2+]1 ZINC000570398114 294231264 /nfs/dbraw/zinc/23/12/64/294231264.db2.gz GCWOMBFXUGBRSH-ZQDZILKHSA-N 2 0 279.428 1.317 10 0 CDAERP CC[NH2+]Cc1ccccc1NC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000570683617 294288680 /nfs/dbraw/zinc/28/86/80/294288680.db2.gz YAJBTPWHOZZIIJ-CJNGLKHVSA-N 2 0 273.380 1.734 10 0 CDAERP C[C@H]1[NH2+]CC[C@@H]1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000572599586 294654924 /nfs/dbraw/zinc/65/49/24/294654924.db2.gz DPEAVRKCFDAKDH-RYSNWHEDSA-N 2 0 267.417 1.221 10 0 CDAERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)CC1 ZINC000575039736 295089805 /nfs/dbraw/zinc/08/98/05/295089805.db2.gz CCBLPDHOKOTPRJ-YLFCFFPRSA-N 2 0 295.471 1.153 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000261637344 295271960 /nfs/dbraw/zinc/27/19/60/295271960.db2.gz CIHYBUCEBXKANB-CZUORRHYSA-N 2 0 293.455 1.885 10 0 CDAERP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000261702363 295297586 /nfs/dbraw/zinc/29/75/86/295297586.db2.gz OKJAEYBBDQJRQI-OWCLPIDISA-N 2 0 293.455 1.981 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000295210571 295300617 /nfs/dbraw/zinc/30/06/17/295300617.db2.gz ALCQHHCSGPYBFX-HZPDHXFCSA-N 2 0 287.407 1.375 10 0 CDAERP CSCC[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000378236495 295604267 /nfs/dbraw/zinc/60/42/67/295604267.db2.gz YMUIWYASKGJQSD-FRRDWIJNSA-N 2 0 285.457 1.057 10 0 CDAERP C[NH+](C)CCC(=O)NC/C=C\C[NH2+]CC=C(Cl)Cl ZINC001669021486 1173495285 /nfs/dbraw/zinc/49/52/85/1173495285.db2.gz YQGRDZIBBCJZMO-ARJAWSKDSA-N 2 0 294.226 1.519 10 0 CDAERP C[C@H]([NH3+])c1ccc(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000335049990 299001902 /nfs/dbraw/zinc/00/19/02/299001902.db2.gz BRRDLKJWTVSNBP-GUYCJALGSA-N 2 0 287.407 1.922 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000335990198 303431627 /nfs/dbraw/zinc/43/16/27/303431627.db2.gz RXBUBOUOVDFMBV-MRXNPFEDSA-N 2 0 273.380 1.361 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+]C/C=C/Cl ZINC001669708269 1173588240 /nfs/dbraw/zinc/58/82/40/1173588240.db2.gz ZBWMLOWEXBFSQR-ZRQQLDRUSA-N 2 0 261.797 1.175 10 0 CDAERP CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001669985141 1173639642 /nfs/dbraw/zinc/63/96/42/1173639642.db2.gz DGULVZIORFOAKS-ZIAGYGMSSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000563382545 316281626 /nfs/dbraw/zinc/28/16/26/316281626.db2.gz CCFXUKKJWWDBQM-AVOUXACISA-N 2 0 279.428 1.460 10 0 CDAERP [NH3+]Cc1ccc(-c2noc(CC[NH2+]C3CC3)n2)cc1 ZINC000577526685 317350013 /nfs/dbraw/zinc/35/00/13/317350013.db2.gz JDNXAQLEKJXIGD-UHFFFAOYSA-N 2 0 258.325 1.490 10 0 CDAERP CN(CCC[NH3+])C1CC[NH+](CCc2ccccn2)CC1 ZINC000577637668 317374232 /nfs/dbraw/zinc/37/42/32/317374232.db2.gz ABYAVODXHBWNEK-UHFFFAOYSA-N 2 0 276.428 1.369 10 0 CDAERP CC(C)[NH2+]CCCNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000578850110 324037448 /nfs/dbraw/zinc/03/74/48/324037448.db2.gz PXEYDPNHOCVMNH-AWEZNQCLSA-N 2 0 281.375 1.372 10 0 CDAERP C[C@H]1CN(C(=O)NCC2([NH3+])CCCCCC2)[C@@H](C)C[NH2+]1 ZINC000583014189 325088585 /nfs/dbraw/zinc/08/85/85/325088585.db2.gz JIWXUTVQIARMTB-STQMWFEESA-N 2 0 282.432 1.430 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC[C@H](O)C[N@H+](C)C1CC1 ZINC000583020334 325090007 /nfs/dbraw/zinc/09/00/07/325090007.db2.gz VCRNEVTURZJVIO-FMKPAKJESA-N 2 0 283.460 1.294 10 0 CDAERP CCOC(=O)CC1([NH2+]C[C@H](O)C[N@H+](C)CC)CCCC1 ZINC000583151554 325118329 /nfs/dbraw/zinc/11/83/29/325118329.db2.gz BAXWCIYBSDCXHO-ZDUSSCGKSA-N 2 0 286.416 1.155 10 0 CDAERP Cc1nccn1CCC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000583872568 325257473 /nfs/dbraw/zinc/25/74/73/325257473.db2.gz SLBLTFSCLLOVGP-HNNXBMFYSA-N 2 0 262.401 1.657 10 0 CDAERP CC(C)[NH2+][C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001673928792 1173899806 /nfs/dbraw/zinc/89/98/06/1173899806.db2.gz MTUIKYJWEIGNMV-OLZOCXBDSA-N 2 0 255.406 1.172 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001698856543 1159118466 /nfs/dbraw/zinc/11/84/66/1159118466.db2.gz LIRIYXDRJSQZLY-HUUCEWRRSA-N 2 0 283.460 1.811 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001725647540 1159260399 /nfs/dbraw/zinc/26/03/99/1159260399.db2.gz XLOHPZGLUHJBRQ-UONOGXRCSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H](F)CC[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001691447710 1159305763 /nfs/dbraw/zinc/30/57/63/1159305763.db2.gz LHQVYYXWWHSTTM-IHRRRGAJSA-N 2 0 287.423 1.513 10 0 CDAERP CC[N@H+](CCCNC(=O)CC1CC[NH+](C)CC1)C(C)C ZINC001713024033 1159749182 /nfs/dbraw/zinc/74/91/82/1159749182.db2.gz HHSDOAYCZZBNGI-UHFFFAOYSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[NH2+][C@@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001714244261 1159756068 /nfs/dbraw/zinc/75/60/68/1159756068.db2.gz QPHQDLXVYCHRBB-QWHCGFSZSA-N 2 0 255.406 1.364 10 0 CDAERP CC(C)(O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000304415613 1159904404 /nfs/dbraw/zinc/90/44/04/1159904404.db2.gz WCNQSUVOSWMILU-UHFFFAOYSA-N 2 0 270.417 1.334 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001481751577 1159931422 /nfs/dbraw/zinc/93/14/22/1159931422.db2.gz KZMNDGWVAGPCQQ-LSDHHAIUSA-N 2 0 281.444 1.661 10 0 CDAERP CCOCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC001671256477 1160003516 /nfs/dbraw/zinc/00/35/16/1160003516.db2.gz GJDGLYHSGIBQHK-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]CCCF ZINC001269174141 1160040223 /nfs/dbraw/zinc/04/02/23/1160040223.db2.gz JANUDQMSKXXYCN-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001505446737 1160372705 /nfs/dbraw/zinc/37/27/05/1160372705.db2.gz RLQLKSDUGGSHQS-LSDHHAIUSA-N 2 0 281.444 1.661 10 0 CDAERP [NH3+]C1(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000398179310 482246442 /nfs/dbraw/zinc/24/64/42/482246442.db2.gz NMSXHHIPDKJRJX-CQSZACIVSA-N 2 0 273.380 1.259 10 0 CDAERP C[C@]1(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CCC[NH2+]1 ZINC000079521461 482373546 /nfs/dbraw/zinc/37/35/46/482373546.db2.gz VLOGVKXHEJHKOV-UKRRQHHQSA-N 2 0 265.401 1.215 10 0 CDAERP CO[C@H]1C[C@@H]([N@H+](C)C[C@H](O)CN(C)Cc2ccccc2)C1 ZINC000671704926 482516633 /nfs/dbraw/zinc/51/66/33/482516633.db2.gz YMTJPSFFXJNGOA-ZACQAIPSSA-N 2 0 292.423 1.589 10 0 CDAERP CCO[C@@H]1CN(Cc2cccc(OC)c2OC)C[C@H]1C[NH3+] ZINC000405559586 482624388 /nfs/dbraw/zinc/62/43/88/482624388.db2.gz CTRXLBQLSDDPPQ-UKRRQHHQSA-N 2 0 294.395 1.499 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000257738432 482750224 /nfs/dbraw/zinc/75/02/24/482750224.db2.gz WKZKWWAFWNNEQX-MGPQQGTHSA-N 2 0 267.417 1.637 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000378675324 482777781 /nfs/dbraw/zinc/77/77/81/482777781.db2.gz ONSZCLPPVUIDNL-JSGCOSHPSA-N 2 0 265.401 1.058 10 0 CDAERP CCc1nn(C)cc1CNCCC[NH2+]Cc1cccnc1 ZINC000666805541 482927012 /nfs/dbraw/zinc/92/70/12/482927012.db2.gz ZSKFPMVVEPZNBD-UHFFFAOYSA-N 2 0 287.411 1.647 10 0 CDAERP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C[C@@H]1CC ZINC000168073847 482959290 /nfs/dbraw/zinc/95/92/90/482959290.db2.gz CFODUIDFFIHNLL-ZNMIVQPWSA-N 2 0 297.443 1.073 10 0 CDAERP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000666879635 482960037 /nfs/dbraw/zinc/96/00/37/482960037.db2.gz MQLHHHFIMRQUBM-WMLDXEAASA-N 3 0 291.439 1.715 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089457921 483080882 /nfs/dbraw/zinc/08/08/82/483080882.db2.gz HZBOMLMQIOSSFC-HZPDHXFCSA-N 2 0 295.471 1.942 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000667148607 483111075 /nfs/dbraw/zinc/11/10/75/483111075.db2.gz GUNPETMVGBUFDP-ZJUUUORDSA-N 2 0 274.328 1.125 10 0 CDAERP C[NH2+][C@H](C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000390809118 483139948 /nfs/dbraw/zinc/13/99/48/483139948.db2.gz PUIJBHOEAWQWIR-UKRRQHHQSA-N 2 0 275.396 1.327 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)Cc2cnc3n2CCC3)[C@@H](C)C1 ZINC000667666268 483375742 /nfs/dbraw/zinc/37/57/42/483375742.db2.gz HODIJRKNYVCSNF-DZGCQCFKSA-N 2 0 276.428 1.991 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000136457000 483405157 /nfs/dbraw/zinc/40/51/57/483405157.db2.gz DMSHZHMFUMVRNK-OLZOCXBDSA-N 2 0 255.406 1.208 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000136456952 483405747 /nfs/dbraw/zinc/40/57/47/483405747.db2.gz DMSHZHMFUMVRNK-CHWSQXEVSA-N 2 0 255.406 1.208 10 0 CDAERP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CO[C@H](C3CC3)C2)C1 ZINC000667820084 483448687 /nfs/dbraw/zinc/44/86/87/483448687.db2.gz NQWYYAHTYXVCAJ-YUELXQCFSA-N 2 0 252.402 1.875 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CO[C@H](C2CC2)C1)CN1CC[NH+](C)CC1 ZINC000667851573 483460078 /nfs/dbraw/zinc/46/00/78/483460078.db2.gz SDAHUTRMZQIJMI-KBMXLJTQSA-N 2 0 281.444 1.027 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000667982662 483509874 /nfs/dbraw/zinc/50/98/74/483509874.db2.gz MSEGOSCPEDQLHR-LSDHHAIUSA-N 2 0 270.417 1.502 10 0 CDAERP C[C@@H](CCNC(=O)N[C@@H]1CCC[N@H+](C)C1)[NH+]1CCCCC1 ZINC000680273264 483571779 /nfs/dbraw/zinc/57/17/79/483571779.db2.gz WUHZRWXESJIBEB-LSDHHAIUSA-N 2 0 296.459 1.644 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000680509780 483644036 /nfs/dbraw/zinc/64/40/36/483644036.db2.gz DOIGDYQSHRPBPD-CQSZACIVSA-N 2 0 282.432 1.064 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@H]2CCC[N@H+](C)C2)CCCCC1 ZINC000683846311 483653050 /nfs/dbraw/zinc/65/30/50/483653050.db2.gz UYKJXOJOAAOABF-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000049220797 519814107 /nfs/dbraw/zinc/81/41/07/519814107.db2.gz AIQGKBNIPXNMHG-XQLPTFJDSA-N 2 0 281.444 1.610 10 0 CDAERP CCC[NH+]1CCN(Cc2cc(C)c(C[NH2+]C)o2)CC1 ZINC000052422133 519858688 /nfs/dbraw/zinc/85/86/88/519858688.db2.gz QMBNUMVRRWBCGR-UHFFFAOYSA-N 2 0 265.401 1.835 10 0 CDAERP CCC[N@H+](C)CCN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001715519699 1179696424 /nfs/dbraw/zinc/69/64/24/1179696424.db2.gz ITJVPNBQQFGXIX-AWEZNQCLSA-N 2 0 269.433 1.661 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(c2ncccc2C(N)=[NH2+])CC1 ZINC000055067160 522136016 /nfs/dbraw/zinc/13/60/16/522136016.db2.gz HRZIUHAQAMRRFJ-LLVKDONJSA-N 2 0 261.373 1.286 10 0 CDAERP CCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001732357156 1182924562 /nfs/dbraw/zinc/92/45/62/1182924562.db2.gz QWPKMFFXTJZPDW-CABCVRRESA-N 2 0 283.460 1.860 10 0 CDAERP C(C1CC1)[NH+]1CCN(C[C@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000048995909 518381038 /nfs/dbraw/zinc/38/10/38/518381038.db2.gz MXJCYWKLXAIFFS-BBWFWOEESA-N 2 0 277.456 1.935 10 0 CDAERP CC(C)[N@H+](C)CCCCNC(=O)c1cc[nH+]c(NN)c1 ZINC000051116014 519616646 /nfs/dbraw/zinc/61/66/46/519616646.db2.gz QHMNBNSVRHEAFV-UHFFFAOYSA-N 2 0 279.388 1.217 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CC[C@@H](COC2CC[NH+](C)CC2)O1 ZINC000052596877 519723741 /nfs/dbraw/zinc/72/37/41/519723741.db2.gz HKRKPYKFKWDYKF-GJZGRUSLSA-N 2 0 270.417 1.643 10 0 CDAERP CC(C)[NH2+]C[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000052379604 519724906 /nfs/dbraw/zinc/72/49/06/519724906.db2.gz WBBWEOBKOHNZHI-MRXNPFEDSA-N 2 0 261.413 1.973 10 0 CDAERP CC(C)[NH2+]Cc1ccoc1CN1CCC[N@H+](C)CC1 ZINC000052424174 519727851 /nfs/dbraw/zinc/72/78/51/519727851.db2.gz RYWRZPMJBFJACM-UHFFFAOYSA-N 2 0 265.401 1.915 10 0 CDAERP CC(C)C[NH+]1CCN([C@H](c2cccnc2)[C@H](C)[NH3+])CC1 ZINC000055077471 519728170 /nfs/dbraw/zinc/72/81/70/519728170.db2.gz WSIBRQBSLXSQFG-HOCLYGCPSA-N 2 0 276.428 1.744 10 0 CDAERP CC(C)[NH2+]Cc1cn(CC[N@H+](C)[C@@H](C)C(C)C)nn1 ZINC000052478530 519728689 /nfs/dbraw/zinc/72/86/89/519728689.db2.gz JSADTEWFYLSTKG-ZDUSSCGKSA-N 2 0 267.421 1.752 10 0 CDAERP CC(C)C[NH+]1CCN(c2ncc([C@@H](C)[NH3+])s2)CC1 ZINC000055076390 519728970 /nfs/dbraw/zinc/72/89/70/519728970.db2.gz VNRSIOPQABVPDN-LLVKDONJSA-N 2 0 268.430 1.941 10 0 CDAERP CC(C)[NH2+][C@](C)(C[C@H](C)N1CC[NH+](C(C)C)CC1)C(N)=O ZINC000068625859 519740069 /nfs/dbraw/zinc/74/00/69/519740069.db2.gz CDJLYLFNCGYWNT-GOEBONIOSA-N 2 0 298.475 1.033 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)N(C)CC1CC[NH+](C)CC1 ZINC000063124011 519744498 /nfs/dbraw/zinc/74/44/98/519744498.db2.gz KJTXBNIYKQKYJC-CQSZACIVSA-N 2 0 255.450 1.894 10 0 CDAERP CC(C)[C@@H](CNC(=O)[C@H](C[NH3+])c1ccccc1)[NH+](C)C ZINC000061612631 519794690 /nfs/dbraw/zinc/79/46/90/519794690.db2.gz JKPCIWWRYSPWNI-HUUCEWRRSA-N 2 0 277.412 1.431 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)[C@H]([NH3+])c1ccccc1 ZINC000049220403 519814263 /nfs/dbraw/zinc/81/42/63/519814263.db2.gz KTBUIGGGGMLEKF-UONOGXRCSA-N 2 0 263.385 1.389 10 0 CDAERP CC(C)[C@H]1CC[C@H]([NH3+])[C@H](N2CCN(CC[NH+](C)C)CC2)C1 ZINC000061643802 519826071 /nfs/dbraw/zinc/82/60/71/519826071.db2.gz XBQZAGSVBSMYPL-YESZJQIVSA-N 2 0 296.503 1.318 10 0 CDAERP CCC[NH+]1CCN(C(=O)[C@H]2CC[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000055124601 519856408 /nfs/dbraw/zinc/85/64/08/519856408.db2.gz ZKUTYSVGRWYETF-IHRRRGAJSA-N 2 0 267.417 1.304 10 0 CDAERP CC[NH2+]CCC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000061298343 519916440 /nfs/dbraw/zinc/91/64/40/519916440.db2.gz KVUODASAHXJSQK-CQSZACIVSA-N 2 0 263.385 1.405 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@@H](COCC[NH+]2CCCC2)O1 ZINC000052670460 519924599 /nfs/dbraw/zinc/92/45/99/519924599.db2.gz VHZPFIAMUPQLLR-GJZGRUSLSA-N 2 0 270.417 1.646 10 0 CDAERP CCC[NH2+]C[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000052379601 519934328 /nfs/dbraw/zinc/93/43/28/519934328.db2.gz IQHBQRWDTGYBHB-MRXNPFEDSA-N 2 0 261.413 1.975 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000061267002 519936163 /nfs/dbraw/zinc/93/61/63/519936163.db2.gz PTBGHSUATZDDQP-UKRRQHHQSA-N 2 0 277.412 1.651 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)Nc1c[nH+]ccc1N(C)C ZINC000061231030 519942826 /nfs/dbraw/zinc/94/28/26/519942826.db2.gz RBYCQXPJIJLOFN-SNVBAGLBSA-N 2 0 250.346 1.332 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)C2CCN(C)CC2)O1 ZINC000052419910 519951301 /nfs/dbraw/zinc/95/13/01/519951301.db2.gz ZBBLRSLPTIICMC-GJZGRUSLSA-N 2 0 269.433 1.170 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@@H](COCC[NH+](CC)CC)O1 ZINC000052672004 519952906 /nfs/dbraw/zinc/95/29/06/519952906.db2.gz LNHMTVLZWSSQIY-KBPBESRZSA-N 2 0 258.406 1.502 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000061265802 519960353 /nfs/dbraw/zinc/96/03/53/519960353.db2.gz VCVDDPDQRWPPAG-ZDUSSCGKSA-N 2 0 255.406 1.032 10 0 CDAERP CC[NH2+]Cc1cnc(N2CCC([NH+](C)C)CC2)s1 ZINC000054903718 520016061 /nfs/dbraw/zinc/01/60/61/520016061.db2.gz ZUHAWRBUFGJSQQ-UHFFFAOYSA-N 2 0 268.430 1.783 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000061271531 520069853 /nfs/dbraw/zinc/06/98/53/520069853.db2.gz PKQDBGVRTUHURK-ZDUSSCGKSA-N 2 0 293.411 1.954 10 0 CDAERP CCC[NH2+][C@](C)(CCN1CC[NH+]([C@@H](C)CC)CC1)C(N)=O ZINC000055070586 520104977 /nfs/dbraw/zinc/10/49/77/520104977.db2.gz OKZPEYSCMDPKLC-GOEBONIOSA-N 2 0 298.475 1.036 10 0 CDAERP CC[NH2+][C@H](CN1CC[NH+]([C@@H](C)CC)CC1)C1CC1 ZINC000069075021 520198739 /nfs/dbraw/zinc/19/87/39/520198739.db2.gz YOEKORCUHHEYCX-DZGCQCFKSA-N 2 0 253.434 1.791 10 0 CDAERP CCN[C@](C)(C[C@@H](C)[N@H+](C)C[C@@H]1CC[NH+](C)C1)C(=O)OC ZINC000068646529 520236100 /nfs/dbraw/zinc/23/61/00/520236100.db2.gz BEQOHEMGQMPMSX-IIAWOOMASA-N 2 0 299.459 1.190 10 0 CDAERP CC1CC[NH+](C2CCC(NC(=O)[C@H]3CCC[NH2+]3)CC2)CC1 ZINC000236840298 520996137 /nfs/dbraw/zinc/99/61/37/520996137.db2.gz WBVINTHJCVWPJW-UYSNPLJNSA-N 2 0 293.455 1.898 10 0 CDAERP CC[N@H+](CCn1cc(C[NH2+]C(C)C)nn1)[C@@H](C)COC ZINC000052504873 521185208 /nfs/dbraw/zinc/18/52/08/521185208.db2.gz BDPHVPUAWOALBN-ZDUSSCGKSA-N 2 0 283.420 1.133 10 0 CDAERP CCN(Cc1ccccc1)C(=O)C[NH+]1CCC(C[NH3+])CC1 ZINC000044513960 521355816 /nfs/dbraw/zinc/35/58/16/521355816.db2.gz RMFSSSRMFJIQJW-UHFFFAOYSA-N 2 0 289.423 1.706 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000111883732 521590460 /nfs/dbraw/zinc/59/04/60/521590460.db2.gz MTQGXMPXFQMBMU-KGLIPLIRSA-N 2 0 282.432 1.206 10 0 CDAERP CCC(CC)[C@@H](CNC(=O)[C@@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000236664957 521604376 /nfs/dbraw/zinc/60/43/76/521604376.db2.gz JCTAWSUWIZVLJB-LSDHHAIUSA-N 2 0 281.444 1.755 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000055090247 521654760 /nfs/dbraw/zinc/65/47/60/521654760.db2.gz GXSYANBGTCOZPC-CHWSQXEVSA-N 2 0 255.406 1.304 10 0 CDAERP CN(CC[NH+](C)C)[C@H](C[NH3+])c1cc2ccccc2o1 ZINC000068812108 521748196 /nfs/dbraw/zinc/74/81/96/521748196.db2.gz UAVRDVZCUVHPGJ-CYBMUJFWSA-N 2 0 261.369 1.926 10 0 CDAERP CN(CC[NH+](C)C)[C@@H](C[NH3+])c1cc2ccccc2o1 ZINC000068812103 521748400 /nfs/dbraw/zinc/74/84/00/521748400.db2.gz UAVRDVZCUVHPGJ-ZDUSSCGKSA-N 2 0 261.369 1.926 10 0 CDAERP C[NH+](C)CCN1CCN([C@@H](C[NH3+])c2ccccc2F)CC1 ZINC000061642426 521763744 /nfs/dbraw/zinc/76/37/44/521763744.db2.gz PMJQJBFTKRIKSY-INIZCTEOSA-N 2 0 294.418 1.005 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000061644047 521863795 /nfs/dbraw/zinc/86/37/95/521863795.db2.gz WZWLGBLPZUXPOV-CABCVRRESA-N 2 0 275.396 1.282 10 0 CDAERP C[NH2+]CC1(C[N@H+](C)CCc2ccncc2)CCOCC1 ZINC000052182040 521965603 /nfs/dbraw/zinc/96/56/03/521965603.db2.gz ZKFRJQGUIHYLRL-UHFFFAOYSA-N 2 0 277.412 1.572 10 0 CDAERP C[NH2+]CC1(C[N@@H+]2CCCSCC2)CCOCC1 ZINC000052197963 521969895 /nfs/dbraw/zinc/96/98/95/521969895.db2.gz WMSJKRKZZXYSGG-UHFFFAOYSA-N 2 0 258.431 1.442 10 0 CDAERP COC(=O)c1ccc(C[NH2+]CCCC[NH+](C)C)o1 ZINC000045664162 522029469 /nfs/dbraw/zinc/02/94/69/522029469.db2.gz APTJCTAXSZGOFU-UHFFFAOYSA-N 2 0 254.330 1.498 10 0 CDAERP CC[C@@H](C)[N@H+](CCOC)CC1(C[NH2+]C)CCOCC1 ZINC000052183571 522091954 /nfs/dbraw/zinc/09/19/54/522091954.db2.gz FWOWSUFMYDGRNC-CQSZACIVSA-N 2 0 272.433 1.750 10 0 CDAERP C[NH2+]Cc1cc(C[N@H+](C)C2CCOCC2)c(C)o1 ZINC000052481276 522104746 /nfs/dbraw/zinc/10/47/46/522104746.db2.gz PCKTVNYHWAOAKF-UHFFFAOYSA-N 2 0 252.358 1.918 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000055077776 522110256 /nfs/dbraw/zinc/11/02/56/522110256.db2.gz IECSISIDRBQCQT-HUUCEWRRSA-N 2 0 281.444 1.709 10 0 CDAERP C[NH2+]Cc1cccc(OCC[NH+](CCOC)CCOC)c1 ZINC000052571423 522134930 /nfs/dbraw/zinc/13/49/30/522134930.db2.gz HGHIDGYRADJATD-UHFFFAOYSA-N 2 0 296.411 1.380 10 0 CDAERP C[NH2+]Cc1ccccc1OCC[NH+]1CCSCC1 ZINC000052425579 522139003 /nfs/dbraw/zinc/13/90/03/522139003.db2.gz SQKVXHYBFXRWRS-UHFFFAOYSA-N 2 0 266.410 1.834 10 0 CDAERP C[NH2+][C@@H](CN1CC[NH+](C2CCCC2)CC1)C1CC1 ZINC000069074973 522353339 /nfs/dbraw/zinc/35/33/39/522353339.db2.gz ZGPXAEPHZGFUFZ-HNNXBMFYSA-N 2 0 251.418 1.545 10 0 CDAERP C[NH2+][C@H]1CCC[C@@H]1CN1CC[NH+](CC(C)C)CC1 ZINC000055081973 522499503 /nfs/dbraw/zinc/49/95/03/522499503.db2.gz WPMHAAXCOXIUMG-CABCVRRESA-N 2 0 253.434 1.648 10 0 CDAERP COCC[N@H+](CC(C)C)C[C@@H]1CC12CC[NH2+]CC2 ZINC000070257410 523679076 /nfs/dbraw/zinc/67/90/76/523679076.db2.gz SGSOUVSHTKLFLO-AWEZNQCLSA-N 2 0 254.418 1.981 10 0 CDAERP COCC[NH+](CCOC)C[C@H]1CC[C@H](C[NH2+]C(C)C)O1 ZINC000052571490 523715961 /nfs/dbraw/zinc/71/59/61/523715961.db2.gz CRNCSQHZULAWOX-HUUCEWRRSA-N 2 0 288.432 1.127 10 0 CDAERP COCC[N@H+](Cc1cc(C[NH3+])no1)[C@@H](C)C1CC1 ZINC000052545391 523739937 /nfs/dbraw/zinc/73/99/37/523739937.db2.gz CPBXPTPDIJIHOF-JTQLQIEISA-N 2 0 253.346 1.380 10 0 CDAERP C[NH+]1CCC(CNC(=O)[C@H]2CCC[C@H](CC[NH3+])C2)CC1 ZINC000055162871 523763591 /nfs/dbraw/zinc/76/35/91/523763591.db2.gz OBXBSEXUSKJPEX-HIFRSBDPSA-N 2 0 281.444 1.600 10 0 CDAERP COCC[NH2+]Cc1ccccc1N1CC[NH+](C(C)C)CC1 ZINC000062736183 523956099 /nfs/dbraw/zinc/95/60/99/523956099.db2.gz USWUGXNZOXUWSP-UHFFFAOYSA-N 2 0 291.439 1.953 10 0 CDAERP C[NH+](C)C(C)(C)CNC(=O)[C@H]1CCC[C@H](C[NH3+])C1 ZINC000055163273 524032878 /nfs/dbraw/zinc/03/28/78/524032878.db2.gz JPMGDMRAVYCLGI-RYUDHWBXSA-N 2 0 255.406 1.208 10 0 CDAERP C[NH+](C)CCCOC[C@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1 ZINC000052672654 524058057 /nfs/dbraw/zinc/05/80/57/524058057.db2.gz UIVRZQJJXKWYCN-UONOGXRCSA-N 2 0 272.433 1.890 10 0 CDAERP C[C@@H](C(=O)Nc1cccc(C[NH+](C)C)c1)C1C[NH2+]C1 ZINC000163982086 524268373 /nfs/dbraw/zinc/26/83/73/524268373.db2.gz UPKOTMWOXCATLL-LLVKDONJSA-N 2 0 261.369 1.542 10 0 CDAERP C[C@@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)NCC[NH+]1CCCCCC1 ZINC000055136254 524302040 /nfs/dbraw/zinc/30/20/40/524302040.db2.gz ATEHUOFHPIONNA-RBSFLKMASA-N 2 0 281.444 1.742 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050943217 524328871 /nfs/dbraw/zinc/32/88/71/524328871.db2.gz KTBKTKZSGWOZLC-HUUCEWRRSA-N 2 0 281.444 1.899 10 0 CDAERP C[C@@H]1CC[C@@H]([NH3+])C[C@@H]1C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000055131570 524601899 /nfs/dbraw/zinc/60/18/99/524601899.db2.gz KOOAGPATEBVBFW-SYQHCUMBSA-N 2 0 267.417 1.303 10 0 CDAERP Cc1cc(CN2CCC[C@H]2C[NH+](C)C)oc1C[NH3+] ZINC000061654601 524688684 /nfs/dbraw/zinc/68/86/84/524688684.db2.gz JXQDJDABWCYJQE-LBPRGKRZSA-N 2 0 251.374 1.573 10 0 CDAERP C[C@@H](C[NH2+]C1CC1)CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000062973263 524734072 /nfs/dbraw/zinc/73/40/72/524734072.db2.gz AQJINJZMMDTCMJ-ZFWWWQNUSA-N 2 0 251.418 1.545 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCC[NH+]2CCCCCC2)CC[C@@H]1[NH3+] ZINC000055136216 524770062 /nfs/dbraw/zinc/77/00/62/524770062.db2.gz KRWBRYKBIVLBBN-KKUMJFAQSA-N 2 0 281.444 1.742 10 0 CDAERP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000156668710 524847259 /nfs/dbraw/zinc/84/72/59/524847259.db2.gz HWXROISDJRHNFP-STQMWFEESA-N 2 0 267.417 1.304 10 0 CDAERP C[C@@H]([NH3+])[C@@H](N1CC[C@H]([NH+]2CCCC2)C1)C(C)(C)C ZINC000062977560 525003851 /nfs/dbraw/zinc/00/38/51/525003851.db2.gz FJAQVKGSKQOKNP-HZSPNIEDSA-N 2 0 253.434 1.918 10 0 CDAERP C[C@@H]1C[C@@H](C(=O)NCC[NH+]2CCCCCC2)CC[C@@H]1[NH3+] ZINC000055136214 525187191 /nfs/dbraw/zinc/18/71/91/525187191.db2.gz KRWBRYKBIVLBBN-ILXRZTDVSA-N 2 0 281.444 1.742 10 0 CDAERP C[NH2+]C[C@H](C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261549129 536460907 /nfs/dbraw/zinc/46/09/07/536460907.db2.gz OFQNULUWNFAJJA-GOEBONIOSA-N 2 0 289.423 1.575 10 0 CDAERP Cc1oc(C[NH3+])cc1CN1CC[NH+](C(C)(C)C)CC1 ZINC000052571646 526768780 /nfs/dbraw/zinc/76/87/80/526768780.db2.gz JGEPEUSIMIMROG-UHFFFAOYSA-N 2 0 265.401 1.963 10 0 CDAERP Cc1oc(C[NH3+])cc1CN(C)CC[NH+]1CCCC1 ZINC000063054112 526770038 /nfs/dbraw/zinc/77/00/38/526770038.db2.gz WGEQGQQGWGJUEQ-UHFFFAOYSA-N 2 0 251.374 1.574 10 0 CDAERP Cc1oc(CN2CC[NH+](CC3CC3)CC2)cc1C[NH3+] ZINC000052372454 526772285 /nfs/dbraw/zinc/77/22/85/526772285.db2.gz WDVRIHNVPLSACQ-UHFFFAOYSA-N 2 0 263.385 1.574 10 0 CDAERP NC(=[NH2+])c1ccc(N2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000062980573 526823408 /nfs/dbraw/zinc/82/34/08/526823408.db2.gz HRGYOOYVNLCGEB-AWEZNQCLSA-N 2 0 258.369 1.645 10 0 CDAERP [NH3+]CCN(CCC[NH+]1CCCC1)Cc1ccccc1 ZINC000049332169 527185229 /nfs/dbraw/zinc/18/52/29/527185229.db2.gz UQCDCVBXPCNOIM-UHFFFAOYSA-N 2 0 261.413 1.933 10 0 CDAERP [NH3+]Cc1cccc(NC(=O)NCC[NH+]2CCCCC2)c1 ZINC000049575701 527259260 /nfs/dbraw/zinc/25/92/60/527259260.db2.gz FRJRDLNHDRLRET-UHFFFAOYSA-N 2 0 276.384 1.753 10 0 CDAERP OC1(C[N@H+](Cc2ccco2)C2CC2)CC[NH2+]CC1 ZINC000051016335 527506452 /nfs/dbraw/zinc/50/64/52/527506452.db2.gz FTVRRGGXTXSEPU-UHFFFAOYSA-N 2 0 250.342 1.359 10 0 CDAERP CCCC[C@H](C[NH3+])NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000417933132 528940011 /nfs/dbraw/zinc/94/00/11/528940011.db2.gz NRCWGDRFEJKTQG-YMAMQOFZSA-N 2 0 298.475 1.924 10 0 CDAERP CC[NH+](CC)C[C@H]1CCN(C(=O)CC[C@@H](C)[NH3+])C1 ZINC000193320306 535594898 /nfs/dbraw/zinc/59/48/98/535594898.db2.gz URMZIUPNQBBQAF-CHWSQXEVSA-N 2 0 255.406 1.304 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+][C@H]2CC[C@@H]2SC)CC1 ZINC000425353917 535698703 /nfs/dbraw/zinc/69/87/03/535698703.db2.gz NMXWAZHIHPSBGD-KBPBESRZSA-N 2 0 271.474 1.498 10 0 CDAERP CN(C(=O)NCC1(C)CC[NH2+]CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000418528395 536021207 /nfs/dbraw/zinc/02/12/07/536021207.db2.gz RSHUHJAJBXGUAM-CQSZACIVSA-N 2 0 294.443 1.254 10 0 CDAERP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000250359534 536110298 /nfs/dbraw/zinc/11/02/98/536110298.db2.gz DUQXBKHPRUTSLJ-XQQFMLRXSA-N 2 0 267.417 1.364 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000417276322 536391242 /nfs/dbraw/zinc/39/12/42/536391242.db2.gz DOJKDUGRNFDLIK-HNNXBMFYSA-N 2 0 290.411 1.251 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000422882004 536596135 /nfs/dbraw/zinc/59/61/35/536596135.db2.gz OQHSMKMUBLGVFE-OAHLLOKOSA-N 2 0 288.395 1.716 10 0 CDAERP NC(=O)CC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000309684968 538823555 /nfs/dbraw/zinc/82/35/55/538823555.db2.gz BJJASPNFHGWCMI-OWCLPIDISA-N 2 0 287.407 1.362 10 0 CDAERP C[N@@H+]1CCC[C@]2(CC1)[NH2+]CC1(CCOCC1)CO2 ZINC000757145228 574891004 /nfs/dbraw/zinc/89/10/04/574891004.db2.gz PXQXYRIVINZNAB-AWEZNQCLSA-N 2 0 254.374 1.215 10 0 CDAERP Cc1nn(C)c2sc([C@H]3C[C@@H]([NH3+])CC[NH2+]3)cc12 ZINC000757216055 574908062 /nfs/dbraw/zinc/90/80/62/574908062.db2.gz PDGLVJIFXLNWJD-WCBMZHEXSA-N 2 0 250.371 1.695 10 0 CDAERP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccoc1 ZINC000769945143 575401062 /nfs/dbraw/zinc/40/10/62/575401062.db2.gz QPWDPCJRBVOXDB-ZDUSSCGKSA-N 2 0 251.374 1.395 10 0 CDAERP CC[N@H+](CCF)CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001689936139 1175315369 /nfs/dbraw/zinc/31/53/69/1175315369.db2.gz FQJPNLHBYLQEJN-UHFFFAOYSA-N 2 0 273.396 1.268 10 0 CDAERP CC1(C)[C@H]([NH2+]CCCn2cccn2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925532815 617466204 /nfs/dbraw/zinc/46/62/04/617466204.db2.gz ICYMWHZUXTXCPO-HZSPNIEDSA-N 2 0 262.401 1.639 10 0 CDAERP C[C@@H]1OC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)[C@@H]1C ZINC000925554432 617503574 /nfs/dbraw/zinc/50/35/74/617503574.db2.gz ACAWXCSEJKEGKR-IVCRCZCHSA-N 2 0 282.428 1.377 10 0 CDAERP CCNC(=O)N1CC[C@@H]([NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000925586437 617534227 /nfs/dbraw/zinc/53/42/27/617534227.db2.gz DNHSHCQRUYQABA-YIYPIFLZSA-N 2 0 294.443 1.156 10 0 CDAERP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)C(=O)NC(C)(C)C ZINC000925600652 617543761 /nfs/dbraw/zinc/54/37/61/617543761.db2.gz HXDBEINIMHQBOO-QJPTWQEYSA-N 2 0 269.433 1.785 10 0 CDAERP CC1(C)[C@H]([NH2+]C[C@H](O)COCC2CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925617054 617561910 /nfs/dbraw/zinc/56/19/10/617561910.db2.gz POSUWBNVHFYXQB-LJISPDSOSA-N 2 0 282.428 1.140 10 0 CDAERP c1cnn(CC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925619984 617566716 /nfs/dbraw/zinc/56/67/16/617566716.db2.gz CHHRXZPLEBZGAK-GJZGRUSLSA-N 2 0 262.401 1.641 10 0 CDAERP CC1(C)C[C@@H]([NH2+]C[C@]2(O)CCSC2)C[C@@H]([NH3+])C1 ZINC000925623502 617570424 /nfs/dbraw/zinc/57/04/24/617570424.db2.gz SGGIWECCYIVLPW-NTZNESFSSA-N 2 0 258.431 1.350 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCCc2cccnc21 ZINC000925872275 617932834 /nfs/dbraw/zinc/93/28/34/617932834.db2.gz RCOJOLYMLCUYNU-KGLIPLIRSA-N 2 0 263.385 1.803 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCc2cccnc21 ZINC000925872277 617932969 /nfs/dbraw/zinc/93/29/69/617932969.db2.gz RCOJOLYMLCUYNU-ZIAGYGMSSA-N 2 0 263.385 1.803 10 0 CDAERP Cc1cccc(C[C@H](CO)[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925644622 617587174 /nfs/dbraw/zinc/58/71/74/617587174.db2.gz KKRWDDDWMYTEQJ-PMPSAXMXSA-N 2 0 274.408 1.758 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925648939 617591911 /nfs/dbraw/zinc/59/19/11/617591911.db2.gz ZXQFAKRSAXGPTC-HUUCEWRRSA-N 3 0 285.476 1.840 10 0 CDAERP C[N@@H+]1CC[C@H](NCc2cc(N)cc[nH+]2)[C@@H]2CCC[C@@H]21 ZINC000925767415 617617480 /nfs/dbraw/zinc/61/74/80/617617480.db2.gz ONLKUDQYVJFKOU-KKUMJFAQSA-N 2 0 260.385 1.626 10 0 CDAERP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCCCN2CCO)C[C@@H]([NH3+])C1 ZINC000925681138 617655337 /nfs/dbraw/zinc/65/53/37/617655337.db2.gz SMMGETDFFCYKBD-ILXRZTDVSA-N 2 0 283.460 1.329 10 0 CDAERP C[C@H](N[C@@H]1C[NH2+]C[C@H]1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000925783553 617702021 /nfs/dbraw/zinc/70/20/21/617702021.db2.gz DKMCMFSSIVXORF-JKIFEVAISA-N 2 0 291.439 1.886 10 0 CDAERP C[C@@H](N[C@H]1C[NH2+]CC2(CCOCC2)C1)[C@H]1CCCC[NH2+]1 ZINC000925792522 617718368 /nfs/dbraw/zinc/71/83/68/617718368.db2.gz AFYMDYJPJNVVJW-RBSFLKMASA-N 2 0 281.444 1.265 10 0 CDAERP NC(=O)[C@H]1C[C@@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925701953 617753380 /nfs/dbraw/zinc/75/33/80/617753380.db2.gz INOVMNFMWYOVQF-HZSPNIEDSA-N 2 0 261.369 1.320 10 0 CDAERP CC1(C)C[C@@H]([NH2+]CCC2=CC[NH2+]CC2)C[C@@H]([NH3+])C1 ZINC000925703256 617765706 /nfs/dbraw/zinc/76/57/06/617765706.db2.gz COWWVBDOKRIWME-KGLIPLIRSA-N 3 0 251.418 1.792 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000925717670 617837780 /nfs/dbraw/zinc/83/77/80/617837780.db2.gz CTYRUWYPGNILKW-MELADBBJSA-N 2 0 256.390 1.017 10 0 CDAERP C([NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000925832391 617855051 /nfs/dbraw/zinc/85/50/51/617855051.db2.gz PCNJIRPGETVBMK-UUAJXVIYSA-N 2 0 294.439 1.548 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000925833262 617858300 /nfs/dbraw/zinc/85/83/00/617858300.db2.gz WBYANBNNRGVNCY-RMEBNNNOSA-N 2 0 250.386 1.685 10 0 CDAERP O=C1C[C@H](CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CN1 ZINC000925841234 617873103 /nfs/dbraw/zinc/87/31/03/617873103.db2.gz ZSCRMUKIWFUUBB-IGQOVBAYSA-N 2 0 265.401 1.023 10 0 CDAERP CC1(C)[C@@H](N[C@H]2CC[NH2+]C23CCC3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925724475 617909056 /nfs/dbraw/zinc/90/90/56/617909056.db2.gz YRHGOMNCBQTSON-RFGFWPKPSA-N 2 0 263.429 1.637 10 0 CDAERP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1CCc2nnn(C)c2C1 ZINC000925892840 617987213 /nfs/dbraw/zinc/98/72/13/617987213.db2.gz GGXJSGRINRASPG-NOLJZWGESA-N 2 0 299.422 1.221 10 0 CDAERP CC1(C)[C@@H]([NH2+]CC2(C(N)=O)CCCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925504435 618170151 /nfs/dbraw/zinc/17/01/51/618170151.db2.gz RDTIPWWZGPXAOL-AGIUHOORSA-N 2 0 279.428 1.398 10 0 CDAERP C[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)CN1CCOCC1 ZINC000925507589 618193335 /nfs/dbraw/zinc/19/33/35/618193335.db2.gz AQGJETLPRLBYAZ-QLFBSQMISA-N 2 0 283.460 1.450 10 0 CDAERP CC1(C)C[C@H](O)C[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923415805 618326576 /nfs/dbraw/zinc/32/65/76/618326576.db2.gz RBEADSZPDRMZAJ-DKUMPPAJSA-N 2 0 266.429 2.000 10 0 CDAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CO[C@H](C)[C@H]2C)CC1 ZINC000924950247 618373865 /nfs/dbraw/zinc/37/38/65/618373865.db2.gz IOYBXUBPOPWBSK-KLHDSHLOSA-N 2 0 283.460 1.273 10 0 CDAERP COc1ccccc1[C@H](O)C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000817891594 618485561 /nfs/dbraw/zinc/48/55/61/618485561.db2.gz FFSKXSUZTPYCLR-NWANDNLSSA-N 2 0 278.396 1.706 10 0 CDAERP CCC[NH2+][C@@H](C)C(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000841848538 618718774 /nfs/dbraw/zinc/71/87/74/618718774.db2.gz LIYVTIKKFLNSDK-LBPRGKRZSA-N 2 0 275.396 1.813 10 0 CDAERP C[C@H](C[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1)N1CC[NH+](C)CC1 ZINC000902793766 625410460 /nfs/dbraw/zinc/41/04/60/625410460.db2.gz LOOQHCNSCGTMTE-LVQVYYBASA-N 2 0 265.445 1.791 10 0 CDAERP C[N@H+](CCCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)C1CC1 ZINC000909555139 620288134 /nfs/dbraw/zinc/28/81/34/620288134.db2.gz IBJDTFJSQWIDOO-CVEARBPZSA-N 2 0 293.455 1.994 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC000925312101 620982540 /nfs/dbraw/zinc/98/25/40/620982540.db2.gz GJASVXGNIBRCPM-UONOGXRCSA-N 2 0 282.432 1.062 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N2CC([NH+]3CCCC3)C2)CC1 ZINC000898602153 621814842 /nfs/dbraw/zinc/81/48/42/621814842.db2.gz ZKHXUZZGOAJOSW-UHFFFAOYSA-N 2 0 279.428 1.413 10 0 CDAERP C[C@@H](NC(=[NH2+])NC[C@@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000899266356 622130540 /nfs/dbraw/zinc/13/05/40/622130540.db2.gz SHUQRNHUTRGDPD-MNOVXSKESA-N 2 0 250.390 1.383 10 0 CDAERP C[C@H](NC(=[NH2+])NCC[C@H]1CCC[N@H+](C)C1)C1CC1 ZINC000899272884 622138162 /nfs/dbraw/zinc/13/81/62/622138162.db2.gz QQSJXPWRJJSLIO-NWDGAFQWSA-N 2 0 252.406 1.631 10 0 CDAERP c1c([C@H]2CCCC[NH2+]2)nnn1CCC[NH+]1CCSCC1 ZINC000899707836 622376681 /nfs/dbraw/zinc/37/66/81/622376681.db2.gz ZHQAISUGWGELOG-CYBMUJFWSA-N 2 0 295.456 1.532 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCF ZINC000900481151 623125827 /nfs/dbraw/zinc/12/58/27/623125827.db2.gz OFCDUPQUCBEBTM-ZDUSSCGKSA-N 2 0 273.396 1.221 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)C1CCCC1 ZINC000900589524 623266203 /nfs/dbraw/zinc/26/62/03/623266203.db2.gz XPMWZMCNDFTPOW-HZPDHXFCSA-N 2 0 293.455 1.994 10 0 CDAERP CN(C(=O)[C@@H]1CC[N@@H+]1C(C)(C)C)[C@@H]1C[NH+]2CCC1CC2 ZINC000900660270 623339482 /nfs/dbraw/zinc/33/94/82/623339482.db2.gz CRJLIHLAVMSLBF-UONOGXRCSA-N 2 0 279.428 1.412 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000900959073 623727286 /nfs/dbraw/zinc/72/72/86/623727286.db2.gz UFSSNEZXLRBWGZ-OLZOCXBDSA-N 2 0 265.401 1.071 10 0 CDAERP C1C[C@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)[C@@H]([C@H]2CCCC[NH2+]2)C1 ZINC000902463053 624855143 /nfs/dbraw/zinc/85/51/43/624855143.db2.gz ZDCZOMJCNJBBJV-RCZWDNKTSA-N 2 0 263.429 1.780 10 0 CDAERP C[C@@]1([C@@H]2CCC[N@H+](CC3CC[NH2+]CC3)C2)COC(=O)N1 ZINC000903414511 625986261 /nfs/dbraw/zinc/98/62/61/625986261.db2.gz CWZKJUPWSVIIQZ-HIFRSBDPSA-N 2 0 281.400 1.197 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCNC(=O)C[C@@H]2c2ccccc2)C1 ZINC000903430921 625989805 /nfs/dbraw/zinc/98/98/05/625989805.db2.gz IPEFYWGWRLHBNK-NUEKZKHPSA-N 2 0 287.407 1.677 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)[C@H](CCO)c1ccccc1 ZINC000903437456 625991758 /nfs/dbraw/zinc/99/17/58/625991758.db2.gz ITWJXXKSRUSBHU-VNQPRFMTSA-N 2 0 262.397 1.897 10 0 CDAERP [NH3+][C@@H]1CC[C@H](CN2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C1 ZINC000903459805 625995405 /nfs/dbraw/zinc/99/54/05/625995405.db2.gz NQVNXDKQZMHPPY-BJKJVOPESA-N 2 0 277.387 1.680 10 0 CDAERP CC[C@H]1C(=O)N(CC)CC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903463812 625996387 /nfs/dbraw/zinc/99/63/87/625996387.db2.gz OIPHGJPBSHJGMV-AGIUHOORSA-N 2 0 253.390 1.057 10 0 CDAERP CC[C@@H]1C[C@H]1C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000903464223 625996602 /nfs/dbraw/zinc/99/66/02/625996602.db2.gz DPCGQQMRJMCQQS-OSRDXIQISA-N 2 0 293.411 1.290 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@@H]2CC[C@H]([NH3+])C2)[C@H](C)C1 ZINC000903444226 625998044 /nfs/dbraw/zinc/99/80/44/625998044.db2.gz QEZUFCLLVXBOND-APIJFGDWSA-N 3 0 253.434 1.776 10 0 CDAERP C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903457514 626002775 /nfs/dbraw/zinc/00/27/75/626002775.db2.gz VRQBZTKWNVQPRB-TUAOUCFPSA-N 2 0 255.406 1.349 10 0 CDAERP C([C@H]1CCOC1)[N@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903725255 626065174 /nfs/dbraw/zinc/06/51/74/626065174.db2.gz YJYUZPCFKAWEKA-KBMXLJTQSA-N 2 0 280.412 1.256 10 0 CDAERP C([C@@H]1CCCC[NH2+]C1)N1CC[NH2+]CCC12CCOCC2 ZINC000903819118 626102948 /nfs/dbraw/zinc/10/29/48/626102948.db2.gz CBPBFSXMSHZAND-OAHLLOKOSA-N 2 0 281.444 1.221 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCCC[C@@H]2C)cnn1C ZINC000903872522 626126846 /nfs/dbraw/zinc/12/68/46/626126846.db2.gz GFHQTUBHGSFGIJ-GXTWGEPZSA-N 2 0 264.417 1.720 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCCC[C@@H]2C)cnn1C ZINC000903872523 626127392 /nfs/dbraw/zinc/12/73/92/626127392.db2.gz GFHQTUBHGSFGIJ-JSGCOSHPSA-N 2 0 264.417 1.720 10 0 CDAERP CCO[C@H]1CCC[N@H+](C[C@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903873899 626127792 /nfs/dbraw/zinc/12/77/92/626127792.db2.gz NTVTZPTVBBILJH-HOCLYGCPSA-N 2 0 294.443 1.347 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@@H+](C)[C@H](C)C2CC2)cnn1C ZINC000903884190 626132350 /nfs/dbraw/zinc/13/23/50/626132350.db2.gz UKYFBQUICKCEGJ-YPMHNXCESA-N 2 0 264.417 1.576 10 0 CDAERP COCCOC1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903893765 626135403 /nfs/dbraw/zinc/13/54/03/626135403.db2.gz ZEICJRUWJXBAQO-GOOCMWNKSA-N 2 0 282.428 1.644 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)[C@H](CO)C(C)(C)C)cnn1C ZINC000903900055 626137792 /nfs/dbraw/zinc/13/77/92/626137792.db2.gz ZKKURLBUBQKAQG-DZGCQCFKSA-N 2 0 296.459 1.185 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[NH2+][C@H](C)c2ccccn2)cnn1C ZINC000903924973 626148698 /nfs/dbraw/zinc/14/86/98/626148698.db2.gz ANUBXPJDPKMCSV-OCCSQVGLSA-N 2 0 287.411 1.592 10 0 CDAERP C[C@]1([NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC=CCC1 ZINC000903929937 626150462 /nfs/dbraw/zinc/15/04/62/626150462.db2.gz ONJIRVWXLKFPKY-HIFRSBDPSA-N 2 0 275.400 1.791 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@@H](C3CCC3)C2)cnn1C ZINC000903930016 626150705 /nfs/dbraw/zinc/15/07/05/626150705.db2.gz QELJNORSDUCKGQ-GDBMZVCRSA-N 2 0 290.455 1.968 10 0 CDAERP COC(=O)[C@@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1C ZINC000903916470 626156501 /nfs/dbraw/zinc/15/65/01/626156501.db2.gz SNCYAUDJBKBOPU-APYLGABCSA-N 2 0 266.385 1.400 10 0 CDAERP c1nnn([C@@H]2CCC[NH2+]C2)c1C[NH2+]C1CCC=CCC1 ZINC000903959141 626158506 /nfs/dbraw/zinc/15/85/06/626158506.db2.gz BHJOXRKCJPDVIK-CQSZACIVSA-N 2 0 275.400 1.791 10 0 CDAERP COC[C@H]([NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1)[C@@H]1CCCOC1 ZINC000903960076 626159892 /nfs/dbraw/zinc/15/98/92/626159892.db2.gz WMXXBFFCSDWSAU-YJNKXOJESA-N 2 0 270.417 1.406 10 0 CDAERP FC1(F)CC[NH2+]C[C@@H]1CNCc1cnc2ccccn12 ZINC000903955146 626166310 /nfs/dbraw/zinc/16/63/10/626166310.db2.gz LJZRLDIVMGCATE-LLVKDONJSA-N 2 0 280.322 1.669 10 0 CDAERP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]C1Cc2ccccc2C1 ZINC000903956391 626167386 /nfs/dbraw/zinc/16/73/86/626167386.db2.gz KOFJCNMWVJGCKF-CYBMUJFWSA-N 2 0 266.335 1.988 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000903974143 626169368 /nfs/dbraw/zinc/16/93/68/626169368.db2.gz JZOSQPDFMXPBFB-TZMCWYRMSA-N 2 0 264.417 1.973 10 0 CDAERP CC[N@H+](CCNC(=[NH2+])NC[C@@H]1CCCS1)C1CC1 ZINC000905041080 626380420 /nfs/dbraw/zinc/38/04/20/626380420.db2.gz DVYHNDRFHZQTRW-LBPRGKRZSA-N 2 0 270.446 1.480 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000906584993 627338860 /nfs/dbraw/zinc/33/88/60/627338860.db2.gz NQSKJWONAMPLTB-UONOGXRCSA-N 2 0 267.417 1.319 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H]3C[NH+](C)C[C@@H]32)C1 ZINC000908345397 628146281 /nfs/dbraw/zinc/14/62/81/628146281.db2.gz CMOKWWDBWPQLRK-ILXRZTDVSA-N 2 0 279.428 1.271 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000912050379 629755726 /nfs/dbraw/zinc/75/57/26/629755726.db2.gz RLFKDJNHDRDUFM-OKILXGFUSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)[C@@H]1CCC[N@@H+]1C ZINC000912649171 630126467 /nfs/dbraw/zinc/12/64/67/630126467.db2.gz PRUDPIBLKIVYSF-ZNMIVQPWSA-N 2 0 281.444 1.802 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912915372 630283826 /nfs/dbraw/zinc/28/38/26/630283826.db2.gz FSTUHOJYPRTKNG-ZDUSSCGKSA-N 2 0 253.390 1.025 10 0 CDAERP C[NH+](C)Cc1cccc(C(=O)N2CC[C@H]([NH+]3CCC3)C2)c1 ZINC000912917441 630286171 /nfs/dbraw/zinc/28/61/71/630286171.db2.gz ZSANWKUORXQTIK-INIZCTEOSA-N 2 0 287.407 1.668 10 0 CDAERP C[NH+](C)CCCC[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000924852195 630311430 /nfs/dbraw/zinc/31/14/30/630311430.db2.gz FFGUDGMATAHDJN-LSDHHAIUSA-N 2 0 253.434 1.935 10 0 CDAERP C[N@@H+]1C[C@@]2(C)CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@]2(C)C1 ZINC000913278241 630421693 /nfs/dbraw/zinc/42/16/93/630421693.db2.gz CTIZXSFOEMNBMC-CALCHBBNSA-N 2 0 298.390 1.748 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)CC[N@@H+]1C ZINC000914247587 631287346 /nfs/dbraw/zinc/28/73/46/631287346.db2.gz IQVJJJPFFHKVKX-DOMZBBRYSA-N 2 0 294.443 1.253 10 0 CDAERP CC[NH+](CC)CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001691023940 1158539163 /nfs/dbraw/zinc/53/91/63/1158539163.db2.gz XPLAUONRVOPWIA-ZDUSSCGKSA-N 2 0 255.406 1.319 10 0 CDAERP CN(CC[NH2+]Cc1ccsc1)C(=O)C[N@H+](C)C1CCC1 ZINC001691347823 1159029127 /nfs/dbraw/zinc/02/91/27/1159029127.db2.gz LKHCEGJYGLDHAY-UHFFFAOYSA-N 2 0 295.452 1.780 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]CCC2CC2)C2CC2)C1 ZINC001670557679 1158645976 /nfs/dbraw/zinc/64/59/76/1158645976.db2.gz WAFAUDNJYNQAAX-HUUCEWRRSA-N 2 0 279.428 1.223 10 0 CDAERP CC(C)C[NH2+]C1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001266913239 1158982718 /nfs/dbraw/zinc/98/27/18/1158982718.db2.gz AJMKZUDIKDTKHD-UHFFFAOYSA-N 2 0 269.433 1.611 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000250654846 1159279577 /nfs/dbraw/zinc/27/95/77/1159279577.db2.gz XOMLIWMKRKZUKF-JHJVBQTASA-N 2 0 253.390 1.104 10 0 CDAERP CCCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001482355163 1160170950 /nfs/dbraw/zinc/17/09/50/1160170950.db2.gz DAJOEJKIEUKPSI-UONOGXRCSA-N 2 0 271.449 1.809 10 0 CDAERP COCC[N@H+](C)CCCC1CC[NH+](CC2=NOCC2)CC1 ZINC001434462333 1161337817 /nfs/dbraw/zinc/33/78/17/1161337817.db2.gz JWZUBYLKLZZKOZ-UHFFFAOYSA-N 2 0 297.443 1.833 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001565587145 1168155956 /nfs/dbraw/zinc/15/59/56/1168155956.db2.gz RUYIWKFKRJOKCJ-HZSPNIEDSA-N 2 0 269.433 1.563 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]CCOC ZINC001566535139 1168323135 /nfs/dbraw/zinc/32/31/35/1168323135.db2.gz NWPRRUPWFKFZIW-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@H](O)CCC[NH2+][C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001568109561 1169138283 /nfs/dbraw/zinc/13/82/83/1169138283.db2.gz AARGHMJSSUUQGA-KKUMJFAQSA-N 2 0 299.459 1.116 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@@H]1CC[C@H]2C[NH+](C)C[C@@H]21 ZINC001649361694 1169242334 /nfs/dbraw/zinc/24/23/34/1169242334.db2.gz WEISXMYJOODMLR-AIEDFZFUSA-N 2 0 279.428 1.316 10 0 CDAERP CC[NH2+]CCN(CC)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001568749697 1169460768 /nfs/dbraw/zinc/46/07/68/1169460768.db2.gz NWRAIBCGHPWRCF-ZDUSSCGKSA-N 2 0 255.406 1.319 10 0 CDAERP CC(C)CC[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001568873436 1169526630 /nfs/dbraw/zinc/52/66/30/1169526630.db2.gz MHGNXHVWVRTAIS-LLYBFZRZSA-N 2 0 281.444 1.779 10 0 CDAERP CC1CC(C[NH2+]C/C=C\CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001568920224 1169548476 /nfs/dbraw/zinc/54/84/76/1169548476.db2.gz QROFWVJSNPRGFA-HIMNKISGSA-N 2 0 293.455 1.636 10 0 CDAERP CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001569829238 1170009244 /nfs/dbraw/zinc/00/92/44/1170009244.db2.gz VQPXPDKCJJWADV-STQMWFEESA-N 2 0 255.406 1.173 10 0 CDAERP CC(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001570608784 1170208934 /nfs/dbraw/zinc/20/89/34/1170208934.db2.gz SVGLOJVDPZEMIQ-STQMWFEESA-N 2 0 269.433 1.610 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]C/C=C\Cl)C2)C1 ZINC001571192753 1170344118 /nfs/dbraw/zinc/34/41/18/1170344118.db2.gz PQGXQCINPDZAFF-AINJUTQGSA-N 2 0 285.819 1.175 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CC[C@H](C[NH2+]CCC2CC2)C1 ZINC001662723398 1172587216 /nfs/dbraw/zinc/58/72/16/1172587216.db2.gz SXCYWPSLUBBKQK-OAHLLOKOSA-N 2 0 279.428 1.320 10 0 CDAERP O=C(C[NH+]1CCCC1)NCCC[C@@H]1CCC[N@@H+]1CC1CC1 ZINC001663123813 1172636797 /nfs/dbraw/zinc/63/67/97/1172636797.db2.gz LBJPAOHMEPINGQ-MRXNPFEDSA-N 2 0 293.455 1.853 10 0 CDAERP CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001666914889 1173207223 /nfs/dbraw/zinc/20/72/23/1173207223.db2.gz XVYRPWJUTHMGLT-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP COCC[NH2+][C@@H](CNC(=O)C[NH+]1CCC(C)CC1)C(C)C ZINC001667502406 1173277357 /nfs/dbraw/zinc/27/73/57/1173277357.db2.gz FSIQJWXURGTTDJ-HNNXBMFYSA-N 2 0 299.459 1.095 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cnoc1C)[NH+](C)C ZINC001668104964 1173369755 /nfs/dbraw/zinc/36/97/55/1173369755.db2.gz AFLLYBFUOYBUTM-SMDDNHRTSA-N 2 0 296.415 1.308 10 0 CDAERP CCC[NH2+]CCN(CC)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001668630093 1173433703 /nfs/dbraw/zinc/43/37/03/1173433703.db2.gz YGZPQNFJFAOZSE-HNNXBMFYSA-N 2 0 267.417 1.320 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CCCF ZINC001668888100 1173477671 /nfs/dbraw/zinc/47/76/71/1173477671.db2.gz UCCDVCHKUMEFCI-DHCBQETCSA-N 2 0 271.380 1.092 10 0 CDAERP CC[NH2+]C1(CC)CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001673617748 1173873462 /nfs/dbraw/zinc/87/34/62/1173873462.db2.gz RDKVARDVMKNAMD-UHFFFAOYSA-N 2 0 269.433 1.709 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)[NH+](C)C ZINC001598331426 1174313807 /nfs/dbraw/zinc/31/38/07/1174313807.db2.gz ICTAVTPGJHJESU-UPJWGTAASA-N 2 0 255.406 1.173 10 0 CDAERP CC[C@H](C(=O)NCC1=CC[N@H+](CC[C@H](C)F)CC1)[NH+](C)C ZINC001677574979 1174375161 /nfs/dbraw/zinc/37/51/61/1174375161.db2.gz OVWNPQIVJYLTNG-DZGCQCFKSA-N 2 0 299.434 1.823 10 0 CDAERP C[NH+](C)CCC(=O)NCCC[N@H+](C)Cc1cncs1 ZINC001689834570 1175280876 /nfs/dbraw/zinc/28/08/76/1175280876.db2.gz QCTSGMWSMIDYJE-UHFFFAOYSA-N 2 0 284.429 1.033 10 0 CDAERP CC1CC(C[N@H+](C)CCCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001689877574 1175293011 /nfs/dbraw/zinc/29/30/11/1175293011.db2.gz CTWCEDVTXQSHBX-UHFFFAOYSA-N 2 0 293.455 1.566 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001690360777 1175450207 /nfs/dbraw/zinc/45/02/07/1175450207.db2.gz WTJGFKWHSMZWRU-OKILXGFUSA-N 2 0 297.443 1.134 10 0 CDAERP CC[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]CCCO ZINC001698620712 1175875063 /nfs/dbraw/zinc/87/50/63/1175875063.db2.gz HZZPNMAMZBNYHH-HUUCEWRRSA-N 2 0 299.459 1.118 10 0 CDAERP C[C@H](CC[NH2+]CC1CC(C)C1)NC(=O)C[NH+]1CCCC1 ZINC001699163336 1176117659 /nfs/dbraw/zinc/11/76/59/1176117659.db2.gz KJGNLHMOEADBEY-SHARSMKWSA-N 2 0 281.444 1.613 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NC/C=C/C[NH2+]CC2CCCCC2)C1 ZINC001699342170 1176270102 /nfs/dbraw/zinc/27/01/02/1176270102.db2.gz FBLCVMMHIMYARZ-SQRWCISFSA-N 2 0 293.455 1.780 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001699426955 1176388748 /nfs/dbraw/zinc/38/87/48/1176388748.db2.gz HMKKCAZFMWTNGS-KBPBESRZSA-N 2 0 269.433 1.469 10 0 CDAERP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]C/C=C\Cl)C2CC2)CC[N@@H+]1C ZINC001699576416 1176480153 /nfs/dbraw/zinc/48/01/53/1176480153.db2.gz ODHIXOFKSMPTAZ-QALBEDSISA-N 2 0 299.846 1.564 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)[C@@H](C)Cc1c[nH]cn1)C1CC1 ZINC001699594917 1176492567 /nfs/dbraw/zinc/49/25/67/1176492567.db2.gz LSJRJZPZZFBDSM-GXFFZTMASA-N 2 0 264.373 1.093 10 0 CDAERP CCC[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001699653379 1176550800 /nfs/dbraw/zinc/55/08/00/1176550800.db2.gz FZMNIXXJXKBWNW-CYBMUJFWSA-N 2 0 267.417 1.509 10 0 CDAERP CC(C)[C@@H](C(=O)NCC1([NH2+]CCCF)CC1)[NH+]1CCCC1 ZINC001699676858 1176567501 /nfs/dbraw/zinc/56/75/01/1176567501.db2.gz WZCCLAMJRXEFAS-AWEZNQCLSA-N 2 0 299.434 1.705 10 0 CDAERP COCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001700172928 1176779444 /nfs/dbraw/zinc/77/94/44/1176779444.db2.gz UAMYAZULEJWFQX-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CC[N@H+](C)CCCN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001700191199 1176793534 /nfs/dbraw/zinc/79/35/34/1176793534.db2.gz VOPXNJAXSGFRSX-AWEZNQCLSA-N 2 0 269.433 1.661 10 0 CDAERP CC(C)[NH2+][C@H](C)[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001700400363 1176906315 /nfs/dbraw/zinc/90/63/15/1176906315.db2.gz LXILDPMHDONHPW-VXGBXAGGSA-N 2 0 255.406 1.362 10 0 CDAERP CC[NH2+][C@H](C)CN(C)C(=O)[C@H](CC)[NH+](CC)CC ZINC001700769681 1177122848 /nfs/dbraw/zinc/12/28/48/1177122848.db2.gz DHLYZFNBUAAPCB-OLZOCXBDSA-N 2 0 257.422 1.563 10 0 CDAERP C[C@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1CC1CC1 ZINC001700882214 1177177421 /nfs/dbraw/zinc/17/74/21/1177177421.db2.gz MBIZHCMYQVPLQX-GXTWGEPZSA-N 2 0 267.417 1.317 10 0 CDAERP CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001707143105 1177956945 /nfs/dbraw/zinc/95/69/45/1177956945.db2.gz PSIYDPBFRSCMHP-HUUCEWRRSA-N 2 0 295.471 1.955 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001707471045 1178066547 /nfs/dbraw/zinc/06/65/47/1178066547.db2.gz AHBJIZAXMXVAGB-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP CCCCCC[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001713924814 1178851883 /nfs/dbraw/zinc/85/18/83/1178851883.db2.gz UKNBSSUILDTYTR-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP CCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)C1CCC1 ZINC001713933106 1178861506 /nfs/dbraw/zinc/86/15/06/1178861506.db2.gz IUKAKEVVANVZDL-HOTGVXAUSA-N 2 0 293.455 1.946 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCCF)C2)CC[N@@H+]1C ZINC001713957959 1178889345 /nfs/dbraw/zinc/88/93/45/1178889345.db2.gz QMMMGNMNHYSIJI-XUXIUFHCSA-N 2 0 285.407 1.313 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001714085959 1178966498 /nfs/dbraw/zinc/96/64/98/1178966498.db2.gz FZGXVHHBXMWOAT-AWEZNQCLSA-N 2 0 279.428 1.320 10 0 CDAERP C[N@H+](CCCCCF)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001714543806 1179199331 /nfs/dbraw/zinc/19/93/31/1179199331.db2.gz SIWBODQXUQKDHJ-HNNXBMFYSA-N 2 0 299.434 1.516 10 0 CDAERP CN(CC[NH2+]CC1CC(C)(C)C1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001714690020 1179333654 /nfs/dbraw/zinc/33/36/54/1179333654.db2.gz IWLYGQAEUIHMFR-AWEZNQCLSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C[NH2+]C/C=C\Cl ZINC001715232047 1179589207 /nfs/dbraw/zinc/58/92/07/1179589207.db2.gz OPAVCOKLLWNEIZ-LSLLKOGXSA-N 2 0 299.846 1.423 10 0 CDAERP C[C@H](C[NH2+]CCCCCF)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001715373633 1179648401 /nfs/dbraw/zinc/64/84/01/1179648401.db2.gz GBIDUVFOLTWRAK-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC/C=C/C[NH2+]CC2CCC2)CC[N@@H+]1C ZINC001715818267 1179847237 /nfs/dbraw/zinc/84/72/37/1179847237.db2.gz NSGYXKOOOMNDLD-CGFBPQRUSA-N 2 0 293.455 1.779 10 0 CDAERP CCN(CC[NH2+]C[C@H](C)OC)C(=O)C12CCC[NH+]1CCC2 ZINC001716227234 1180110709 /nfs/dbraw/zinc/11/07/09/1180110709.db2.gz JQWBQQVKVIOEBJ-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001716333653 1180158689 /nfs/dbraw/zinc/15/86/89/1180158689.db2.gz CENISQGBPDUXLW-LLYBFZRZSA-N 2 0 281.444 1.780 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[NH2+]CCCF)CC[N@@H+]1C ZINC001716777433 1180411401 /nfs/dbraw/zinc/41/14/01/1180411401.db2.gz LINPTMMSAUOMTB-HZSPNIEDSA-N 2 0 285.407 1.267 10 0 CDAERP CC(C)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001716968840 1180485314 /nfs/dbraw/zinc/48/53/14/1180485314.db2.gz GBCHXHGWHGHPDV-UONOGXRCSA-N 2 0 269.433 1.421 10 0 CDAERP COCCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CCC1 ZINC001717153002 1180551046 /nfs/dbraw/zinc/55/10/46/1180551046.db2.gz LHUAQIMPVKPSNM-CQSZACIVSA-N 2 0 297.443 1.136 10 0 CDAERP CCC1([NH2+]CCCO)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001717239336 1180587179 /nfs/dbraw/zinc/58/71/79/1180587179.db2.gz IABRPNDPRHVEDD-UHFFFAOYSA-N 2 0 299.459 1.071 10 0 CDAERP CCCC[C@@H](C[NH2+]CC)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001717532347 1180725414 /nfs/dbraw/zinc/72/54/14/1180725414.db2.gz FEYQOUHFWWZTDI-KBPBESRZSA-N 2 0 269.433 1.613 10 0 CDAERP CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001717732128 1180816208 /nfs/dbraw/zinc/81/62/08/1180816208.db2.gz VZJZPEYJPIWRPK-CQSZACIVSA-N 2 0 281.444 1.707 10 0 CDAERP CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001717756238 1180832575 /nfs/dbraw/zinc/83/25/75/1180832575.db2.gz CMLBSWURZIFRSJ-OLZOCXBDSA-N 2 0 255.406 1.317 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C[NH2+]CCF)C2CC2)CC[N@@H+]1C ZINC001723299639 1181533169 /nfs/dbraw/zinc/53/31/69/1181533169.db2.gz GKNQNLHTQAVPAE-MELADBBJSA-N 2 0 285.407 1.171 10 0 CDAERP CC[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CCC1 ZINC001724782439 1181751748 /nfs/dbraw/zinc/75/17/48/1181751748.db2.gz CORWQENUFNNPDN-CYBMUJFWSA-N 2 0 267.417 1.509 10 0 CDAERP C[NH+](C)CCC(=O)NCC1([NH2+]CCC2CC2)CCC1 ZINC001724793105 1181755286 /nfs/dbraw/zinc/75/52/86/1181755286.db2.gz GNONPLFUFWUOGH-UHFFFAOYSA-N 2 0 267.417 1.367 10 0 CDAERP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)CC)[NH+](CC)CC ZINC001725182725 1181909918 /nfs/dbraw/zinc/90/99/18/1181909918.db2.gz WKKAJCPVCAIVMW-OLZOCXBDSA-N 2 0 257.422 1.563 10 0 CDAERP COCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001725508546 1182029692 /nfs/dbraw/zinc/02/96/92/1182029692.db2.gz FQCBGBHHWFDXRB-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP COCC[NH2+]C[C@H](NC(=O)C1([NH+](C)C)CCC1)C(C)(C)C ZINC001725743522 1182119401 /nfs/dbraw/zinc/11/94/01/1182119401.db2.gz ZIHXGRLXALJCNL-ZDUSSCGKSA-N 2 0 299.459 1.238 10 0 CDAERP C[NH+](C)CCC(=O)NCC1=CC[N@H+](CC2CCC2)CC1 ZINC001725828912 1182144061 /nfs/dbraw/zinc/14/40/61/1182144061.db2.gz WZRYRHAQESJSST-UHFFFAOYSA-N 2 0 279.428 1.487 10 0 CDAERP CC[N@H+](C)CCC(=O)NCC1=CC[NH+](CC(C)C)CC1 ZINC001725826242 1182144253 /nfs/dbraw/zinc/14/42/53/1182144253.db2.gz OIJQTLAAYRHTRT-UHFFFAOYSA-N 2 0 281.444 1.733 10 0 CDAERP CC/C=C/CC[NH2+][C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001731633884 1182492488 /nfs/dbraw/zinc/49/24/88/1182492488.db2.gz OTWWUNFMRWGVNJ-ISZGNANSSA-N 2 0 279.428 1.533 10 0 CDAERP CC/C=C\CC[NH2+][C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001731633887 1182493047 /nfs/dbraw/zinc/49/30/47/1182493047.db2.gz OTWWUNFMRWGVNJ-ZRUQZJFASA-N 2 0 279.428 1.533 10 0 CDAERP COCC[N@H+](C)[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001731720603 1182531128 /nfs/dbraw/zinc/53/11/28/1182531128.db2.gz NPCZVVLDUNPOLD-HNNXBMFYSA-N 2 0 299.459 1.288 10 0 CDAERP CN(CC[NH2+]CCCCCF)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001731898006 1182663872 /nfs/dbraw/zinc/66/38/72/1182663872.db2.gz IHLSGEQIUASITO-ZDUSSCGKSA-N 2 0 273.396 1.268 10 0 CDAERP CN(CC[NH2+]Cc1ccccn1)C(=O)C1([NH+](C)C)CCC1 ZINC001731917652 1182678632 /nfs/dbraw/zinc/67/86/32/1182678632.db2.gz CKZRHQACMHXYRA-UHFFFAOYSA-N 2 0 290.411 1.114 10 0 CDAERP CC/C=C\CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001732195851 1182849422 /nfs/dbraw/zinc/84/94/22/1182849422.db2.gz RUJOPXMSULKSKN-WJNHHXLDSA-N 2 0 281.444 1.921 10 0 CDAERP CCC[NH2+]C[C@@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001732364373 1182927452 /nfs/dbraw/zinc/92/74/52/1182927452.db2.gz BGRPKIUOUIDFIL-OLZOCXBDSA-N 2 0 255.406 1.080 10 0 CDAERP CCOCC[N@H+](C)CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001732597088 1183040464 /nfs/dbraw/zinc/04/04/64/1183040464.db2.gz GNTRRFSWZXFKIR-HUUCEWRRSA-N 2 0 299.459 1.286 10 0 CDAERP Cc1ncc(C[NH2+]CC[C@H](C)NC(=O)C[NH+]2CCCC2)o1 ZINC001732754789 1183109624 /nfs/dbraw/zinc/10/96/24/1183109624.db2.gz UVWNAJHVIUVJDH-LBPRGKRZSA-N 2 0 294.399 1.063 10 0 CDAERP CCC(CC)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001732836005 1183149956 /nfs/dbraw/zinc/14/99/56/1183149956.db2.gz QGQGKWRAARBPGW-XHPSBEMXSA-N 2 0 281.444 1.779 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]C/C=C\Cl ZINC001732859689 1183162699 /nfs/dbraw/zinc/16/26/99/1183162699.db2.gz QTMADAAYSXZVBZ-GSKFCLBISA-N 2 0 299.846 1.875 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]CC[C@@H]1CCCO1)[NH+](C)C ZINC001732970353 1183210619 /nfs/dbraw/zinc/21/06/19/1183210619.db2.gz CJUMXHHYSODIGS-QLFBSQMISA-N 2 0 299.459 1.236 10 0 CDAERP C[C@@H](C[NH2+]CCF)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001733012709 1183237374 /nfs/dbraw/zinc/23/73/74/1183237374.db2.gz BYBFJZGWLXIAMZ-STQMWFEESA-N 2 0 273.396 1.315 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1CCC(C)(C)C ZINC001733222781 1183348875 /nfs/dbraw/zinc/34/88/75/1183348875.db2.gz QFTCUHFYSVIVQK-ZDUSSCGKSA-N 2 0 269.433 1.565 10 0 CDAERP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001733553050 1183464918 /nfs/dbraw/zinc/46/49/18/1183464918.db2.gz PKMXEFPBNXGTAX-BUWFCSEKSA-N 2 0 295.471 1.979 10 0 CDAERP C[C@@H](CCC[NH2+]CCCF)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001734234316 1183700588 /nfs/dbraw/zinc/70/05/88/1183700588.db2.gz QBGSYLXNKHMCBK-ZFWWWQNUSA-N 2 0 299.434 1.562 10 0 CDAERP CC(C)[NH2+][C@@H](C)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001734323460 1183731057 /nfs/dbraw/zinc/73/10/57/1183731057.db2.gz QVVGCYWZIWJQAT-JSGCOSHPSA-N 2 0 267.417 1.173 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@]12CCC[C@H]1[NH+](CC)CC2 ZINC001734445139 1183780521 /nfs/dbraw/zinc/78/05/21/1183780521.db2.gz XJARLZYPKMBPLS-UKRRQHHQSA-N 2 0 267.417 1.461 10 0 CDAERP Cc1n[nH]c(=O)c(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)c1C ZINC001771933848 1186584893 /nfs/dbraw/zinc/58/48/93/1186584893.db2.gz REJNWFMMGMGPKV-RYUDHWBXSA-N 2 0 278.400 1.795 10 0 CDAERP CC1(C)Cc2cc(C[NH2+]CCOCCC[NH3+])ccc2O1 ZINC000863650557 739280366 /nfs/dbraw/zinc/28/03/66/739280366.db2.gz VKKHSWKWJHXPJP-UHFFFAOYSA-N 2 0 278.396 1.855 10 0 CDAERP O=C(CCC12CC(C1)C[NH2+]2)NCCC1CC[NH2+]CC1 ZINC000870951045 739288863 /nfs/dbraw/zinc/28/88/63/739288863.db2.gz UKOPJZCVWXCNST-UHFFFAOYSA-N 2 0 265.401 1.025 10 0 CDAERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCOC(F)F)C1 ZINC000851797492 739308116 /nfs/dbraw/zinc/30/81/16/739308116.db2.gz FUFPYZUUWLYLGH-GFCCVEGCSA-N 2 0 280.359 1.658 10 0 CDAERP COC[C@H](C[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)C(C)C ZINC000721912873 739347876 /nfs/dbraw/zinc/34/78/76/739347876.db2.gz DTEOVNOKZNZNHE-SRVKXCTJSA-N 2 0 282.350 1.974 10 0 CDAERP CCC[NH+]1CCC(CNC(=[NH2+])NC2CCC2)CC1 ZINC000848996325 739404981 /nfs/dbraw/zinc/40/49/81/739404981.db2.gz UJKQNTSTWOLTAR-UHFFFAOYSA-N 2 0 252.406 1.775 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](CO)Cc2ccccc2)C12CCC2 ZINC000925499936 739417398 /nfs/dbraw/zinc/41/73/98/739417398.db2.gz BVNMBYZPSRXKSU-XHSDSOJGSA-N 2 0 274.408 1.697 10 0 CDAERP FCC1(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CCOCC1 ZINC000925683039 739635539 /nfs/dbraw/zinc/63/55/39/739635539.db2.gz JSHIESIJASHTID-MEBFFEOJSA-N 2 0 268.376 1.339 10 0 CDAERP Cc1noc(C)c1CN1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720859885 739830949 /nfs/dbraw/zinc/83/09/49/739830949.db2.gz RZEISKKGOOBXQE-ONGXEEELSA-N 2 0 277.290 1.860 10 0 CDAERP CCC[C@@H](C(=O)OCC)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923449755 739744081 /nfs/dbraw/zinc/74/40/81/739744081.db2.gz BXMDDMYGWAVPBZ-KBPBESRZSA-N 2 0 298.427 1.548 10 0 CDAERP COC(=O)c1cncc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000923492244 739861442 /nfs/dbraw/zinc/86/14/42/739861442.db2.gz MIDQCMONKJBMDN-YPMHNXCESA-N 2 0 277.368 1.285 10 0 CDAERP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CN2CCC[C@@H]2CO1 ZINC000796746241 739972033 /nfs/dbraw/zinc/97/20/33/739972033.db2.gz QKLOERLCSINBQQ-KBXIAJHMSA-N 2 0 252.402 1.874 10 0 CDAERP C[N@H+](CCNC(=O)[C@@]1(F)CC[NH2+]C1)C1CCCCC1 ZINC000165008485 740006931 /nfs/dbraw/zinc/00/69/31/740006931.db2.gz KHNOTWXKTAQXCI-CQSZACIVSA-N 2 0 271.380 1.069 10 0 CDAERP C[C@@H](O)C[NH+]1CCN(c2cc[nH+]cc2C(F)(F)F)CC1 ZINC000865505159 740010893 /nfs/dbraw/zinc/01/08/93/740010893.db2.gz AFBNBZFSPHMTOY-SNVBAGLBSA-N 2 0 289.301 1.603 10 0 CDAERP CC1(C)C[C@@H]([NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)C[C@@H]([NH3+])C1 ZINC000925768167 740093726 /nfs/dbraw/zinc/09/37/26/740093726.db2.gz IQPGCJJEHQJISC-WISYIIOYSA-N 2 0 274.430 1.058 10 0 CDAERP Cn1ccc(C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)cc1=O ZINC000866702363 740159816 /nfs/dbraw/zinc/15/98/16/740159816.db2.gz BDAGRJFRBJDDDV-INIZCTEOSA-N 2 0 277.412 1.582 10 0 CDAERP COCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC1CCCCCC1 ZINC000092278027 740226667 /nfs/dbraw/zinc/22/66/67/740226667.db2.gz RPRUHBXFSQGPDJ-HNNXBMFYSA-N 2 0 296.459 1.724 10 0 CDAERP C[N@@H+]1C[C@@H]2C[NH+](CCCCC3(C)OCCO3)C[C@]2(C)C1 ZINC000933732159 740327225 /nfs/dbraw/zinc/32/72/25/740327225.db2.gz KXGWHRBNMAADNB-CABCVRRESA-N 2 0 282.428 1.803 10 0 CDAERP CC(C)[C@H](C)NC(=O)CN1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705212 740341110 /nfs/dbraw/zinc/34/11/10/740341110.db2.gz VOWHKPROELMKHN-XJKSGUPXSA-N 2 0 283.460 1.844 10 0 CDAERP Cn1cc([C@@H]2CCCN2C[C@@H](O)C[NH+]2CCCC2)cn1 ZINC000312151052 740484810 /nfs/dbraw/zinc/48/48/10/740484810.db2.gz VSNZCZVJKYGAON-GJZGRUSLSA-N 2 0 278.400 1.014 10 0 CDAERP C[C@H]1C[C@@H]1NC(=[NH2+])NCC1([NH+]2CCSCC2)CCCC1 ZINC000864454555 740581089 /nfs/dbraw/zinc/58/10/89/740581089.db2.gz ODUOENITHQQPDZ-STQMWFEESA-N 2 0 296.484 1.870 10 0 CDAERP C[C@@H](C(=O)N(C)C)[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714466652 740493874 /nfs/dbraw/zinc/49/38/74/740493874.db2.gz KELIWHALIWEVOO-NSHDSACASA-N 2 0 255.406 1.160 10 0 CDAERP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)[C@@H]1C ZINC000925804091 740628303 /nfs/dbraw/zinc/62/83/03/740628303.db2.gz ZERMWKSOUBLUNF-UXXRCYHCSA-N 2 0 282.428 1.799 10 0 CDAERP CCc1cc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)[nH]n1 ZINC000925488136 740643462 /nfs/dbraw/zinc/64/34/62/740643462.db2.gz HHOTUZZGNPQCMV-CMPLNLGQSA-N 2 0 250.390 1.968 10 0 CDAERP C(COC1CCOCC1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000701389527 740651034 /nfs/dbraw/zinc/65/10/34/740651034.db2.gz JJEQIEQJQUZJDA-KGLIPLIRSA-N 2 0 268.401 1.398 10 0 CDAERP CC[C@@H](C)NC(=O)C[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714454143 740662329 /nfs/dbraw/zinc/66/23/29/740662329.db2.gz CVNPYJBINSAOTH-GFCCVEGCSA-N 2 0 269.433 1.598 10 0 CDAERP c1ccc2c(c1)CC[N@@H+](CCCNC1=[NH+]CCCCN1)C2 ZINC000849215375 740696874 /nfs/dbraw/zinc/69/68/74/740696874.db2.gz GKYNTMBUVXRRNM-UHFFFAOYSA-N 2 0 286.423 1.764 10 0 CDAERP C[C@@H]1[NH2+]CCC[C@@H]1NCC[C@H]([NH3+])Cc1ccccc1 ZINC000925725050 740721747 /nfs/dbraw/zinc/72/17/47/740721747.db2.gz GLMNUJLHMWYJAG-BPUTZDHNSA-N 2 0 261.413 1.677 10 0 CDAERP CC1(C)[C@@H]([NH2+]C[C@H](O)Cc2ccccc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925499676 740812375 /nfs/dbraw/zinc/81/23/75/740812375.db2.gz SIMJHWBJHDELDR-NCOADZHNSA-N 2 0 288.435 1.956 10 0 CDAERP C[C@@H]([NH3+])c1cn([C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000849151268 740837509 /nfs/dbraw/zinc/83/75/09/740837509.db2.gz YOLHNUYBLDAEIK-TZMCWYRMSA-N 2 0 271.368 1.745 10 0 CDAERP C[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CCC1(C)C ZINC000825349550 740877312 /nfs/dbraw/zinc/87/73/12/740877312.db2.gz FLHVQLTYEZSAHA-VXGBXAGGSA-N 2 0 276.384 1.456 10 0 CDAERP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923420276 740896069 /nfs/dbraw/zinc/89/60/69/740896069.db2.gz HKKAQMBIKVLGQF-YUSLTOFOSA-N 3 0 251.418 1.623 10 0 CDAERP CCOC(=O)c1cc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)on1 ZINC000866513912 740903466 /nfs/dbraw/zinc/90/34/66/740903466.db2.gz DMYPMVBIYGTJAR-NSHDSACASA-N 2 0 295.383 1.671 10 0 CDAERP CC(C)[C@H]1COCC[C@H]1[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000924991204 740905759 /nfs/dbraw/zinc/90/57/59/740905759.db2.gz ITVQUMZQZHGBFP-BZUAXINKSA-N 2 0 283.460 1.273 10 0 CDAERP [NH3+]C1(C[NH2+]C[C@H]2CC3(CO2)CCOCC3)CCC1 ZINC000872142676 740936350 /nfs/dbraw/zinc/93/63/50/740936350.db2.gz AIWRABABRZBFPG-GFCCVEGCSA-N 2 0 254.374 1.043 10 0 CDAERP [NH3+]C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)C[C@H]1C(F)(F)F ZINC000872152389 741074926 /nfs/dbraw/zinc/07/49/26/741074926.db2.gz QOWARTVFSPZFQF-QJPTWQEYSA-N 3 0 279.350 1.445 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000713041270 741075671 /nfs/dbraw/zinc/07/56/71/741075671.db2.gz BNUVYSCDZBOVSZ-RYUDHWBXSA-N 2 0 255.406 1.158 10 0 CDAERP CSC1(C[NH2+][C@@H](C)C(C)(C)CO)CC[NH+](C)CC1 ZINC000926449282 741379562 /nfs/dbraw/zinc/37/95/62/741379562.db2.gz SSUFFOBFMKGPFQ-LBPRGKRZSA-N 2 0 274.474 1.810 10 0 CDAERP C[N@H+]1CC=C(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925633625 741388824 /nfs/dbraw/zinc/38/88/24/741388824.db2.gz FNPLPOYWOHKWFY-KBPBESRZSA-N 3 0 251.418 1.744 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)CN1C1CC1 ZINC000925798726 741630846 /nfs/dbraw/zinc/63/08/46/741630846.db2.gz RGOWTPPLQOYCGG-AAVRWANBSA-N 2 0 251.418 1.447 10 0 CDAERP CC(C)C[C@@H](C)C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866712017 741633547 /nfs/dbraw/zinc/63/35/47/741633547.db2.gz PTLHPKULIASLJS-BARDWOONSA-N 2 0 295.427 1.536 10 0 CDAERP C[C@H]1[C@@H](NC(=O)C2CC[NH+](C3CC3)CC2)CC[N@@H+]1C ZINC000928442973 741662040 /nfs/dbraw/zinc/66/20/40/741662040.db2.gz RUEXFCRQPUUGLE-FZMZJTMJSA-N 2 0 265.401 1.070 10 0 CDAERP COC(=O)N1CCC([C@@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925647632 741812061 /nfs/dbraw/zinc/81/20/61/741812061.db2.gz ZIIXUVNJVAZYKC-TZMCWYRMSA-N 2 0 295.427 1.728 10 0 CDAERP C[C@H]1C[C@H]1NC(=[NH2+])NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000864452007 741824585 /nfs/dbraw/zinc/82/45/85/741824585.db2.gz KTPVXUFOAQAMDE-RFQIPJPRSA-N 2 0 266.433 1.877 10 0 CDAERP Cc1cc([C@H]([NH3+])CC(=O)N2CC[NH2+]C[C@@H]2C)cc(Cl)n1 ZINC000841845543 741844527 /nfs/dbraw/zinc/84/45/27/741844527.db2.gz CTNUNVYOAXVONM-CMPLNLGQSA-N 2 0 296.802 1.254 10 0 CDAERP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CCCO)C2)ccn1 ZINC000856591196 741837176 /nfs/dbraw/zinc/83/71/76/741837176.db2.gz JXIASYPOCDVJEY-INIZCTEOSA-N 2 0 293.411 1.369 10 0 CDAERP CC(C)(C)[C@H](CN)[NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923367589 741882331 /nfs/dbraw/zinc/88/23/31/741882331.db2.gz IHPLEVYEFXOIAV-GSPSYOTPSA-N 2 0 253.434 1.870 10 0 CDAERP C[C@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)[NH+]1CCCCC1 ZINC000848594927 741932320 /nfs/dbraw/zinc/93/23/20/741932320.db2.gz HOXGOVILOMRSRL-NXEZZACHSA-N 2 0 296.337 1.050 10 0 CDAERP C[NH+](C)CCNC(=S)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000863209544 741961518 /nfs/dbraw/zinc/96/15/18/741961518.db2.gz MHCDTKTTWLPRSQ-AWEZNQCLSA-N 2 0 298.500 1.419 10 0 CDAERP CSC[C@@H]1CCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923387740 741934380 /nfs/dbraw/zinc/93/43/80/741934380.db2.gz LAYZGXQDDBDGAG-RYUDHWBXSA-N 2 0 256.415 1.192 10 0 CDAERP Cc1cc([C@@H](C)[NH2+]CCCCCN2CC[NH2+]CC2)nn1C ZINC000925847852 741935124 /nfs/dbraw/zinc/93/51/24/741935124.db2.gz WHCUXBHQKDLTPP-OAHLLOKOSA-N 2 0 293.459 1.455 10 0 CDAERP Cc1cc(CN2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c(C)nn1 ZINC000720609123 742067236 /nfs/dbraw/zinc/06/72/36/742067236.db2.gz ZGZKPWKCPDSXNT-NEPJUHHUSA-N 2 0 288.317 1.662 10 0 CDAERP [NH3+]C1(c2noc(/C=C/[C@@H]3CCC[NH2+]C3)n2)CCCC1 ZINC000871787029 742242992 /nfs/dbraw/zinc/24/29/92/742242992.db2.gz PAMZZKSPUPHFFA-QRGHLMKCSA-N 2 0 262.357 1.810 10 0 CDAERP ClC1(Cl)C[C@@H]1CCN1CC[NH2+]CC[NH2+]CC1 ZINC000923460062 742260264 /nfs/dbraw/zinc/26/02/64/742260264.db2.gz PDNJPEGXQQYZGD-JTQLQIEISA-N 2 0 266.216 1.065 10 0 CDAERP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1NC1C[C@H]3CC[C@@H](C1)[N@H+]3C)[NH2+]2 ZINC000709380716 742280916 /nfs/dbraw/zinc/28/09/16/742280916.db2.gz DLSMPLUCDBQRAF-REAGNIBYSA-N 2 0 263.429 1.730 10 0 CDAERP Cn1c(Cl)cnc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000311207091 742300389 /nfs/dbraw/zinc/30/03/89/742300389.db2.gz JUAVQGFGULDYKA-PHIMTYICSA-N 2 0 268.792 1.505 10 0 CDAERP C[NH+](C)CC1(O)CC[NH+](C[C@@H]2C[C@H]3CCC[C@H]3O2)CC1 ZINC000720590133 742155221 /nfs/dbraw/zinc/15/52/21/742155221.db2.gz APZFFLRLYOEQQA-QLFBSQMISA-N 2 0 282.428 1.333 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@@H]2CCc3ccc(F)cc32)CC1 ZINC000925811033 742341312 /nfs/dbraw/zinc/34/13/12/742341312.db2.gz QFIXIYOEGISXSB-MRXNPFEDSA-N 2 0 277.387 1.826 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=[NH2+])N[C@H]2C[C@H]2C)C1 ZINC000864455660 742355279 /nfs/dbraw/zinc/35/52/79/742355279.db2.gz ACBPNRCPXKEMHN-AGIUHOORSA-N 2 0 252.406 1.629 10 0 CDAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CCOCC(F)(F)F)CC2 ZINC000923450892 742367725 /nfs/dbraw/zinc/36/77/25/742367725.db2.gz YACZDGPJWPXSJD-NSHDSACASA-N 2 0 296.333 1.395 10 0 CDAERP C[C@@H](C[NH2+][C@@H]1CCOC2(CCCC2)C1)N1CC[NH+](C)CC1 ZINC000872032877 742375226 /nfs/dbraw/zinc/37/52/26/742375226.db2.gz BIDNQLBOWXIEDY-JKSUJKDBSA-N 2 0 295.471 1.704 10 0 CDAERP Cc1cc([C@@H]([NH3+])CC(=O)NC[C@H](C)[NH+](C)C)cc(Cl)n1 ZINC000831871401 742399972 /nfs/dbraw/zinc/39/99/72/742399972.db2.gz XKLWMHGDWSFCAE-JQWIXIFHSA-N 2 0 298.818 1.500 10 0 CDAERP [NH3+]CCCCCC[NH2+][C@H]1CS(=O)(=O)Cc2ccccc21 ZINC000857087845 742435491 /nfs/dbraw/zinc/43/54/91/742435491.db2.gz WHSHCJGPHPPVQB-HNNXBMFYSA-N 2 0 296.436 1.765 10 0 CDAERP CC(C)CC[NH+]1CCC([NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)CC1 ZINC000926943136 742321847 /nfs/dbraw/zinc/32/18/47/742321847.db2.gz SVNIXAWVGDXTTG-PVAVHDDUSA-N 2 0 296.455 1.890 10 0 CDAERP C[N@H+](CCNC(=[NH2+])NC[C@@H]1CCCO1)C1CCCCC1 ZINC000848987996 739349856 /nfs/dbraw/zinc/34/98/56/739349856.db2.gz WNSZNGUMCKHWOZ-AWEZNQCLSA-N 2 0 282.432 1.544 10 0 CDAERP CCN1C[C@@H](CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)OC1=O ZINC000846900958 739352865 /nfs/dbraw/zinc/35/28/65/739352865.db2.gz ZAAPZQHWDYWNNF-QNMSZWNNSA-N 2 0 281.400 1.384 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@H]2CCCC23CCOCC3)CC1 ZINC000925817413 739361220 /nfs/dbraw/zinc/36/12/20/739361220.db2.gz RNVUDWKWPJSLCO-HNNXBMFYSA-N 2 0 281.444 1.348 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC(C)(C)C1(O)CCOCC1 ZINC000926599425 739393427 /nfs/dbraw/zinc/39/34/27/739393427.db2.gz GDIBNPCXJPSHIF-YIONKMFJSA-N 2 0 296.455 1.484 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925669923 739543320 /nfs/dbraw/zinc/54/33/20/739543320.db2.gz ZDZSMCIDNDMWFC-BFHYXJOUSA-N 2 0 253.434 1.966 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N(C)C1CCC([NH3+])CC1 ZINC000846180123 739584561 /nfs/dbraw/zinc/58/45/61/739584561.db2.gz SAMMSRZAYDWBHX-UHFFFAOYSA-N 2 0 298.475 1.876 10 0 CDAERP CC(C)OC[C@H](O)C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000710355989 739719954 /nfs/dbraw/zinc/71/99/54/739719954.db2.gz WUAUJFXVGUQNSS-JKSUJKDBSA-N 2 0 284.444 1.484 10 0 CDAERP CC(C)n1ncnc1C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923450361 739756903 /nfs/dbraw/zinc/75/69/03/739756903.db2.gz FPKGHLQXMOPXEM-ZDUSSCGKSA-N 2 0 293.415 1.189 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)C12CCC2 ZINC000925610694 739777090 /nfs/dbraw/zinc/77/70/90/739777090.db2.gz HAKFAXYDBBQNBL-XYPHTWIQSA-N 2 0 299.418 1.931 10 0 CDAERP C[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1CC[NH3+] ZINC000723892220 739818991 /nfs/dbraw/zinc/81/89/91/739818991.db2.gz VHHQEXCQEMUOKD-MCIONIFRSA-N 2 0 256.390 1.099 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2ccc(CO)cc2)C12CCC2 ZINC000925635805 739824415 /nfs/dbraw/zinc/82/44/15/739824415.db2.gz PDOHXAQIUSPKQY-HUUCEWRRSA-N 2 0 260.381 1.581 10 0 CDAERP CS(=O)(=O)CC1(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)CCC1 ZINC000925696075 739844439 /nfs/dbraw/zinc/84/44/39/739844439.db2.gz ZHFRQFPHFVZYPI-NEPJUHHUSA-N 2 0 286.441 1.061 10 0 CDAERP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)o1 ZINC000925855690 740063655 /nfs/dbraw/zinc/06/36/55/740063655.db2.gz OIAGSSFBDMYCTK-CHWSQXEVSA-N 2 0 292.379 1.924 10 0 CDAERP CCOCCOCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000923413431 740065214 /nfs/dbraw/zinc/06/52/14/740065214.db2.gz DQZYHPQHZQDPAZ-UONOGXRCSA-N 2 0 256.390 1.113 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)C=C1CC[NH2+]CC1 ZINC000852858986 740095668 /nfs/dbraw/zinc/09/56/68/740095668.db2.gz KFOCIBZFRHAZFJ-CYBMUJFWSA-N 2 0 265.401 1.287 10 0 CDAERP COC(=O)C1=CC[C@@H]([NH2+][C@H](C)c2ccc(C[NH3+])nc2C)C1 ZINC000863543062 740118928 /nfs/dbraw/zinc/11/89/28/740118928.db2.gz VKINCSYERNIKHR-ZWNOBZJWSA-N 2 0 289.379 1.761 10 0 CDAERP COC[C@@H](C[NH+]1CCC(C[NH+]2CCOCC2)CC1)C(C)C ZINC000929284798 740293020 /nfs/dbraw/zinc/29/30/20/740293020.db2.gz WGUVIXQZDLTHOD-QGZVFWFLSA-N 2 0 298.471 1.949 10 0 CDAERP COC(=O)C1=CC[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000862466910 740315867 /nfs/dbraw/zinc/31/58/67/740315867.db2.gz JSRCBOOFNLKTIM-ZDUSSCGKSA-N 2 0 298.346 1.619 10 0 CDAERP C[N@@H+](Cc1cccs1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923297584 740353284 /nfs/dbraw/zinc/35/32/84/740353284.db2.gz KNPRGQJAFZDACF-LLVKDONJSA-N 2 0 252.383 1.558 10 0 CDAERP C[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1cccnc1 ZINC000925844013 740417332 /nfs/dbraw/zinc/41/73/32/740417332.db2.gz ICSYJCSVFIZGAK-OAHLLOKOSA-N 2 0 276.428 1.808 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000846679406 740439723 /nfs/dbraw/zinc/43/97/23/740439723.db2.gz CGQKQNBGQVRPBG-GZBFAFLISA-N 2 0 265.401 1.106 10 0 CDAERP Cc1nn(C)cc1CN1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720859038 740453431 /nfs/dbraw/zinc/45/34/31/740453431.db2.gz XHVNXAXGSWWOBP-KOLCDFICSA-N 2 0 276.306 1.298 10 0 CDAERP CCO[C@@H]1C[N@H+](C[C@@H]2CCCC(C)(C)O2)C[C@H]1C[NH3+] ZINC000714331813 740543458 /nfs/dbraw/zinc/54/34/58/740543458.db2.gz RYTCZMMPCMGZLF-HZSPNIEDSA-N 2 0 270.417 1.630 10 0 CDAERP CC(C)(O)C[N@@H+]1CC[C@H](NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000866414194 740659497 /nfs/dbraw/zinc/65/94/97/740659497.db2.gz MPIYZZZQPKIJOB-HNNXBMFYSA-N 2 0 297.487 1.684 10 0 CDAERP CCOC(=O)C1=CC[C@H]([NH2+][C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000863544390 740717148 /nfs/dbraw/zinc/71/71/48/740717148.db2.gz SGIPTMUJLGOELV-XBFCOCLRSA-N 2 0 266.385 1.616 10 0 CDAERP Cc1csc(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)n1 ZINC000850353869 740742419 /nfs/dbraw/zinc/74/24/19/740742419.db2.gz ORNNWZKHGNVEFH-LBPRGKRZSA-N 2 0 284.473 1.813 10 0 CDAERP C[N@@H+]1CC[C@@]2(CCN(CCc3ccns3)C2)C1 ZINC000930556351 740796965 /nfs/dbraw/zinc/79/69/65/740796965.db2.gz VTEPZDIGWNXREY-CYBMUJFWSA-N 2 0 251.399 1.713 10 0 CDAERP CC/C(C)=C\C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870017243 740821935 /nfs/dbraw/zinc/82/19/35/740821935.db2.gz KACSFHRFHHYXRG-CDWBCPPQSA-N 2 0 281.444 1.541 10 0 CDAERP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)c2ccc(F)cn2)C1 ZINC000819366359 740838929 /nfs/dbraw/zinc/83/89/29/740838929.db2.gz OOAHVFPHRRZDJX-WFASDCNBSA-N 2 0 281.375 1.576 10 0 CDAERP C[C@H]([NH3+])CCC(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000844191944 740863025 /nfs/dbraw/zinc/86/30/25/740863025.db2.gz ULIOPEPCRUBEIJ-ZDUSSCGKSA-N 2 0 290.411 1.504 10 0 CDAERP CCOCCOCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000923413426 740943449 /nfs/dbraw/zinc/94/34/49/740943449.db2.gz DQZYHPQHZQDPAZ-KBPBESRZSA-N 2 0 256.390 1.113 10 0 CDAERP Cc1nccn1CCC[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857849071 740961689 /nfs/dbraw/zinc/96/16/89/740961689.db2.gz RUJNURRRYKNLSP-ZDUSSCGKSA-N 2 0 259.357 1.972 10 0 CDAERP CC1CC[NH+](CCCNC(=O)[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000711226883 741062203 /nfs/dbraw/zinc/06/22/03/741062203.db2.gz RPCNPPWONVGPON-CQSZACIVSA-N 2 0 281.444 1.470 10 0 CDAERP CCO[C@@H]1C[N@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1C[NH3+] ZINC000708342145 741077386 /nfs/dbraw/zinc/07/73/86/741077386.db2.gz ZHVXAJPKCDVMCZ-JHJVBQTASA-N 2 0 256.390 1.097 10 0 CDAERP CC(C)CC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000720900889 741184305 /nfs/dbraw/zinc/18/43/05/741184305.db2.gz RYDARCNABFNRKX-IHRRRGAJSA-N 2 0 267.417 1.445 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000852893171 741217488 /nfs/dbraw/zinc/21/74/88/741217488.db2.gz GEKTZKWSOIPXKR-CYBMUJFWSA-N 2 0 263.385 1.087 10 0 CDAERP COCC[N@H+](C)CCCN[C@H]1CCC[NH+]2CCCC[C@H]12 ZINC000924654344 741292669 /nfs/dbraw/zinc/29/26/69/741292669.db2.gz RBBYNJUSHYRTCS-JKSUJKDBSA-N 2 0 283.460 1.561 10 0 CDAERP CC[N@H+](CCN[C@@H]1CC[NH2+]C12CCCC2)C1CC1 ZINC000925555802 741339594 /nfs/dbraw/zinc/33/95/94/741339594.db2.gz HLMIFWCKTKRMPO-CQSZACIVSA-N 2 0 251.418 1.735 10 0 CDAERP CCCNC(=[NH2+])NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000849046549 741409053 /nfs/dbraw/zinc/40/90/53/741409053.db2.gz VHFKDPSVHBPYLJ-CABCVRRESA-N 2 0 274.412 1.856 10 0 CDAERP CN1C[C@H](CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1=O ZINC000723547971 741475556 /nfs/dbraw/zinc/47/55/56/741475556.db2.gz OTSYRNNFYJPPBS-LXTVHRRPSA-N 2 0 279.428 1.365 10 0 CDAERP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000925777458 741567246 /nfs/dbraw/zinc/56/72/46/741567246.db2.gz PAGGFJBMLHIBPL-IJLUTSLNSA-N 2 0 262.344 1.778 10 0 CDAERP CC[C@H](C[C@](C)(O)CC)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000924633683 741583766 /nfs/dbraw/zinc/58/37/66/741583766.db2.gz SEKWOSGKSHLDFF-NVXWUHKLSA-N 2 0 299.503 1.932 10 0 CDAERP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000924954093 741638674 /nfs/dbraw/zinc/63/86/74/741638674.db2.gz UVPVXRFESWMHSP-IKGGRYGDSA-N 2 0 297.487 1.521 10 0 CDAERP C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923452325 741757102 /nfs/dbraw/zinc/75/71/02/741757102.db2.gz GEYUPNVGRFECKH-QWHCGFSZSA-N 2 0 297.443 1.119 10 0 CDAERP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C=C1CC[NH2+]CC1 ZINC000852885243 741780848 /nfs/dbraw/zinc/78/08/48/741780848.db2.gz TXLZWZXXCXSDCC-AWEZNQCLSA-N 2 0 265.401 1.095 10 0 CDAERP CCN(CC)C(=O)[C@H](C)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720831358 741783529 /nfs/dbraw/zinc/78/35/29/741783529.db2.gz YPHVYZKAWOKLHJ-GARJFASQSA-N 2 0 295.349 1.312 10 0 CDAERP C[C@@H]1CCC[C@@](CNC(=[NH2+])NC2CC2)([NH+](C)C)C1 ZINC000052043355 741880792 /nfs/dbraw/zinc/88/07/92/741880792.db2.gz WZEMKBQIVAWERO-BXUZGUMPSA-N 2 0 252.406 1.773 10 0 CDAERP C1=C[C@@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)[C@H]2CO[C@@H]1C2 ZINC000922717064 741894977 /nfs/dbraw/zinc/89/49/77/741894977.db2.gz GKQLFIXBNMPZAH-QRJUGERDSA-N 2 0 262.397 1.794 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCC2CC[NH2+]CC2)C1 ZINC000925702273 741972563 /nfs/dbraw/zinc/97/25/63/741972563.db2.gz MNFKCOYNRFSRBQ-ZIAGYGMSSA-N 3 0 253.434 1.872 10 0 CDAERP C[N@H+](C[C@H](O)CN1CC[C@H](c2nccs2)C1)C1CC1 ZINC000710677520 742035386 /nfs/dbraw/zinc/03/53/86/742035386.db2.gz XBOHOTFRCBXCIO-AAEUAGOBSA-N 2 0 281.425 1.388 10 0 CDAERP CCO[C@@H]1C[C@@H]([NH2+]CCN2CCC([NH3+])CC2)C12CCC2 ZINC000925815197 742057347 /nfs/dbraw/zinc/05/73/47/742057347.db2.gz OWHALHWQRJASES-HUUCEWRRSA-N 2 0 281.444 1.347 10 0 CDAERP CC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)[C@@H]([NH3+])C(C)C)C1 ZINC000713055861 742111260 /nfs/dbraw/zinc/11/12/60/742111260.db2.gz BROBRISYLUSUMI-STQMWFEESA-N 2 0 269.433 1.454 10 0 CDAERP Cn1nnnc1C1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000872146239 742158658 /nfs/dbraw/zinc/15/86/58/742158658.db2.gz IYRLYGOTGYXKOS-UHFFFAOYSA-N 2 0 292.431 1.169 10 0 CDAERP CC1(C)CC(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000866711185 742165327 /nfs/dbraw/zinc/16/53/27/742165327.db2.gz DUNACCZMSNCYJI-MCIONIFRSA-N 2 0 293.411 1.290 10 0 CDAERP CC[N@H+](CCc1ccccc1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923307697 742216738 /nfs/dbraw/zinc/21/67/38/742216738.db2.gz ZFKXJWHNOVCEDZ-MRXNPFEDSA-N 2 0 274.408 1.930 10 0 CDAERP C(COC1CCOCC1)[NH2+][C@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000925877621 742241119 /nfs/dbraw/zinc/24/11/19/742241119.db2.gz KNTFIPUWECILMZ-JYJNAYRXSA-N 2 0 282.428 1.692 10 0 CDAERP CC[C@](C)(O)CN1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880205002 742262767 /nfs/dbraw/zinc/26/27/67/742262767.db2.gz NWIAAWVQNNVEHQ-CABCVRRESA-N 2 0 270.417 1.380 10 0 CDAERP CCOC(=O)C1=CC[C@H]([NH2+][C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925718947 742313749 /nfs/dbraw/zinc/31/37/49/742313749.db2.gz KSCBUQAQFLWTLY-AVGNSLFASA-N 2 0 264.369 1.498 10 0 CDAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@@H]3C[C@@H]4CCC[C@H]4O3)C[C@@H]12 ZINC000720883377 742359862 /nfs/dbraw/zinc/35/98/62/742359862.db2.gz WQBPOXZLNOCPNW-XWSJDDSLSA-N 2 0 250.386 1.613 10 0 CDAERP C[C@@H]1COC[C@@H](C)C1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000924657110 742501502 /nfs/dbraw/zinc/50/15/02/742501502.db2.gz FPOQQZSVSWREAN-HUUCEWRRSA-N 2 0 283.460 1.275 10 0 CDAERP [NH3+]Cc1ccc2c(c1)CCCN2C(=O)[C@@H]([NH3+])CC(F)F ZINC000843343462 742503897 /nfs/dbraw/zinc/50/38/97/742503897.db2.gz USYXBAHOFKHQQB-NSHDSACASA-N 2 0 283.322 1.407 10 0 CDAERP C[C@@H]1C[C@H]([NH3+])CCN1C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000721442435 742537825 /nfs/dbraw/zinc/53/78/25/742537825.db2.gz JECUDHYIWDCRLC-GWOFURMSSA-N 2 0 266.307 1.908 10 0 CDAERP CC[NH+]1CCC(CC[NH2+][C@@H]2CCC2(OC)OC)CC1 ZINC000925151384 742548061 /nfs/dbraw/zinc/54/80/61/742548061.db2.gz LPTPCYDALOZZGT-CQSZACIVSA-N 2 0 270.417 1.850 10 0 CDAERP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000715519612 742619569 /nfs/dbraw/zinc/61/95/69/742619569.db2.gz UZSDKNJNGKGLKO-FEWQNLEASA-N 3 0 253.434 1.966 10 0 CDAERP [NH3+]CCCNC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000841854797 742620331 /nfs/dbraw/zinc/62/03/31/742620331.db2.gz HSGRTUXIXKFOBW-UHFFFAOYSA-N 2 0 282.432 1.432 10 0 CDAERP C[C@@H]1[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@@H+]1C ZINC000925341603 742624701 /nfs/dbraw/zinc/62/47/01/742624701.db2.gz DZNCFRAKBCGPAG-MQAAVTGUSA-N 2 0 294.443 1.346 10 0 CDAERP CN(Cc1cccc(C(N)=O)c1)C1(C[NH3+])CCCCC1 ZINC000713335780 742656238 /nfs/dbraw/zinc/65/62/38/742656238.db2.gz KXFYAMCQZSTQPB-UHFFFAOYSA-N 2 0 275.396 1.879 10 0 CDAERP CCN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923502526 742709279 /nfs/dbraw/zinc/70/92/79/742709279.db2.gz ZMQYGEUZXSUBJU-FRRDWIJNSA-N 2 0 255.406 1.160 10 0 CDAERP CC1CCN(C(=[NH2+])N[C@H]2CC[N@H+](CC(C)(C)O)C2)CC1 ZINC000864358215 742688267 /nfs/dbraw/zinc/68/82/67/742688267.db2.gz OUNDPGLIVZIOHO-ZDUSSCGKSA-N 2 0 282.432 1.088 10 0 CDAERP Cc1cc(N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc[nH+]1 ZINC000720869143 742710524 /nfs/dbraw/zinc/71/05/24/742710524.db2.gz CQPRXZVFTOOQRT-ONGXEEELSA-N 2 0 259.275 1.963 10 0 CDAERP CC[C@](O)(C[NH+]1CCC(C[NH+](C)C)CC1)C(F)(F)F ZINC000929282179 742747380 /nfs/dbraw/zinc/74/73/80/742747380.db2.gz IJRHVNUBIRCBPN-LBPRGKRZSA-N 2 0 282.350 1.963 10 0 CDAERP C[NH2+]CCC[N@@H+]1CC[C@@H](Cc2nc(C)cs2)C1 ZINC000923550952 742788271 /nfs/dbraw/zinc/78/82/71/742788271.db2.gz HOMIIFMLMGFOKV-LBPRGKRZSA-N 2 0 253.415 1.925 10 0 CDAERP Cn1nnc2c1C[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)CC2 ZINC000925892435 742814861 /nfs/dbraw/zinc/81/48/61/742814861.db2.gz AYGWXDPNUPGYEX-GJZGRUSLSA-N 2 0 299.422 1.742 10 0 CDAERP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCc1ccc(C(N)=O)cc1 ZINC000866668271 742828624 /nfs/dbraw/zinc/82/86/24/742828624.db2.gz AQLDZVKVOCIQQR-FZMZJTMJSA-N 2 0 261.369 1.140 10 0 CDAERP CC[C@@H]1CCN(C(=[NH2+])NC[C@H](C2CC2)[NH+](C)C)C1 ZINC000864455134 742833986 /nfs/dbraw/zinc/83/39/86/742833986.db2.gz HJBAMHXMKFVBBH-DGCLKSJQSA-N 2 0 252.406 1.583 10 0 CDAERP C[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1cncc(F)c1 ZINC000925846013 742834449 /nfs/dbraw/zinc/83/44/49/742834449.db2.gz RCZFGSNHLZCSCS-CQSZACIVSA-N 2 0 294.418 1.947 10 0 CDAERP CC1=CC[NH+](CCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001634504955 1166507504 /nfs/dbraw/zinc/50/75/04/1166507504.db2.gz DTOUMHRQLKJCFS-INIZCTEOSA-N 2 0 293.455 1.875 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CCCF)[NH+](C)C ZINC001271180814 906142991 /nfs/dbraw/zinc/14/29/91/906142991.db2.gz FCFYNUMZJYDQGF-STQMWFEESA-N 2 0 275.412 1.369 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCCF)C1 ZINC001565843099 1168182314 /nfs/dbraw/zinc/18/23/14/1168182314.db2.gz DVFQKGKCHZUWCF-ZNMIVQPWSA-N 2 0 299.434 1.703 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CC2)[C@@H]1C)[NH+](C)C ZINC001566103436 1168236497 /nfs/dbraw/zinc/23/64/97/1168236497.db2.gz JADQPXGOQLLGKW-XBFCOCLRSA-N 2 0 267.417 1.316 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CC[C@H]2C[C@H](C)C[N@@H+]2C1 ZINC001646941285 1168273994 /nfs/dbraw/zinc/27/39/94/1168273994.db2.gz AIEVUCLZCNATND-JONQDZQNSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)[N@H+](C)CCCNC(=O)CCC[NH+]1CCCC1 ZINC001566519366 1168319014 /nfs/dbraw/zinc/31/90/14/1168319014.db2.gz URDRZBFBZVZMPN-UHFFFAOYSA-N 2 0 269.433 1.709 10 0 CDAERP CC[N@H+](CCCNC(=O)C[NH+]1CC[C@@H](C)C1)CC1CCC1 ZINC001566564456 1168336460 /nfs/dbraw/zinc/33/64/60/1168336460.db2.gz BSLOIBGXQHIWSA-OAHLLOKOSA-N 2 0 295.471 1.957 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)C(C)C ZINC001566561369 1168336220 /nfs/dbraw/zinc/33/62/20/1168336220.db2.gz BRYMIERUMWFTMV-AWEZNQCLSA-N 2 0 269.433 1.707 10 0 CDAERP CC1CC(C[N@@H+]2CC[C@@H](NC(=O)CCCC[NH+](C)C)C2)C1 ZINC001566679020 1168386060 /nfs/dbraw/zinc/38/60/60/1168386060.db2.gz KYYNUDWOOZZJDA-UYSNPLJNSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)OCC[NH2+][C@H]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001567173514 1168605797 /nfs/dbraw/zinc/60/57/97/1168605797.db2.gz MTOCWLAQSPDQAT-LSDHHAIUSA-N 2 0 299.459 1.380 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001483700508 912896836 /nfs/dbraw/zinc/89/68/36/912896836.db2.gz CHPIXCVZGNINNX-AWEZNQCLSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1csnn1 ZINC000699258041 913652144 /nfs/dbraw/zinc/65/21/44/913652144.db2.gz FJEYRPYXTWOYAK-UBJLHIIHSA-N 2 0 252.387 1.719 10 0 CDAERP C(C1CC1)N1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000699302168 913695577 /nfs/dbraw/zinc/69/55/77/913695577.db2.gz RRQIGTBMMHVOIQ-MQVJKMGUSA-N 2 0 263.429 1.545 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)CC[C@H](C)F ZINC001480870918 894580722 /nfs/dbraw/zinc/58/07/22/894580722.db2.gz DMLTYBNOAAWKNA-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)OCCC[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001266808707 896092062 /nfs/dbraw/zinc/09/20/62/896092062.db2.gz NPDCNDCZVRZWHT-HNNXBMFYSA-N 2 0 299.459 1.334 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CC[NH2+]CC(C)C)C1 ZINC001266812926 896103383 /nfs/dbraw/zinc/10/33/83/896103383.db2.gz BMSZVPOWFWCVMQ-OAHLLOKOSA-N 2 0 283.460 1.812 10 0 CDAERP CC1CC(C[N@H+](C)CCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001480898586 896297795 /nfs/dbraw/zinc/29/77/95/896297795.db2.gz QYVPLWNMUIJPBA-UHFFFAOYSA-N 2 0 295.471 1.955 10 0 CDAERP CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000724126695 896531851 /nfs/dbraw/zinc/53/18/51/896531851.db2.gz JHXJWEOAKYTZEB-JKSUJKDBSA-N 2 0 260.381 1.942 10 0 CDAERP CN(CC[NH2+]CC1CC1)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001567560778 1168856712 /nfs/dbraw/zinc/85/67/12/1168856712.db2.gz PQHDLDDXTLKKNZ-MRXNPFEDSA-N 2 0 299.434 1.657 10 0 CDAERP CN(CC[NH2+]CCF)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001567573393 1168864478 /nfs/dbraw/zinc/86/44/78/1168864478.db2.gz CVYMVUWGHSQYDE-CHWSQXEVSA-N 2 0 271.380 1.021 10 0 CDAERP CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]CC(C)C)C1)[NH+](C)C ZINC001272616303 914180975 /nfs/dbraw/zinc/18/09/75/914180975.db2.gz LCPAJNJMSKPNEN-HUUCEWRRSA-N 2 0 283.460 1.811 10 0 CDAERP CC[C@@H](F)CN(C)CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001480952162 898123717 /nfs/dbraw/zinc/12/37/17/898123717.db2.gz YGKRTDGEAISQDI-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP CC[C@H](C(=O)N1CCC([C@H](C)[NH2+]CCOC)CC1)[NH+](C)C ZINC001267492133 898147148 /nfs/dbraw/zinc/14/71/48/898147148.db2.gz FOYJEYMCPQPUOA-DZGCQCFKSA-N 2 0 299.459 1.190 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CC[NH+](CCCF)C2)C1 ZINC001481117963 898909579 /nfs/dbraw/zinc/90/95/79/898909579.db2.gz FKJKHIBHWDJTSN-KBPBESRZSA-N 2 0 285.407 1.126 10 0 CDAERP CC[C@@H](C)C[N@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)C1CC1 ZINC001481186317 899084525 /nfs/dbraw/zinc/08/45/25/899084525.db2.gz OTIWOLLNCUZSCC-CABCVRRESA-N 2 0 295.471 1.955 10 0 CDAERP CCC(CC)C[NH2+]CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001481238646 899569895 /nfs/dbraw/zinc/56/98/95/899569895.db2.gz BZUDDRCOWYEYHI-UHFFFAOYSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC=C(C)C ZINC001267801210 899765936 /nfs/dbraw/zinc/76/59/36/899765936.db2.gz SAFMNWVZPIZHAS-ZIAGYGMSSA-N 2 0 267.417 1.531 10 0 CDAERP O[C@H](C[NH2+][C@@H]1CCCC2(CC2)C1)C[NH+]1CCCC1 ZINC000695696185 899767218 /nfs/dbraw/zinc/76/72/18/899767218.db2.gz CZFNYVBLTZTDEQ-ZIAGYGMSSA-N 2 0 252.402 1.756 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCCF ZINC001267805926 899777655 /nfs/dbraw/zinc/77/76/55/899777655.db2.gz UCNKIXWSFCFZMN-JHJVBQTASA-N 2 0 273.396 1.171 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]C/C=C/Cl ZINC001267986624 900199525 /nfs/dbraw/zinc/19/95/25/900199525.db2.gz NPYOMSIYYMOLCF-BXDLYYKMSA-N 2 0 287.835 1.421 10 0 CDAERP CCC[N@H+](C)CC1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001481520077 901043035 /nfs/dbraw/zinc/04/30/35/901043035.db2.gz BMQPEWLITGABSB-INIZCTEOSA-N 2 0 295.471 1.909 10 0 CDAERP CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001268160111 901448522 /nfs/dbraw/zinc/44/85/22/901448522.db2.gz QNBLJMURMRHBJO-ZIAGYGMSSA-N 2 0 267.417 1.461 10 0 CDAERP c1csc(C[NH2+]CCCCN2CCOCC2)n1 ZINC001177298884 914567169 /nfs/dbraw/zinc/56/71/69/914567169.db2.gz HOAIIMWYAXLTPE-UHFFFAOYSA-N 2 0 255.387 1.345 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CCF ZINC001268426571 902042303 /nfs/dbraw/zinc/04/23/03/902042303.db2.gz PRDWQAPQMHJOCH-STQMWFEESA-N 2 0 273.396 1.315 10 0 CDAERP CCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001481775150 902113718 /nfs/dbraw/zinc/11/37/18/902113718.db2.gz STSGOCDSICBUPQ-CYBMUJFWSA-N 2 0 255.406 1.269 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC1CN(CC2=CCCCC2)C1 ZINC001268484231 902327895 /nfs/dbraw/zinc/32/78/95/902327895.db2.gz YHYLIYMCALXGOW-UHFFFAOYSA-N 2 0 279.428 1.627 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]CCCF)CC1)[NH+](C)C ZINC001482026884 902483842 /nfs/dbraw/zinc/48/38/42/902483842.db2.gz SBYSCCOPRRAWTG-MGPQQGTHSA-N 2 0 287.423 1.703 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C[NH2+]CC1CCC1 ZINC001482135262 902696404 /nfs/dbraw/zinc/69/64/04/902696404.db2.gz JGNQDNIZOXLKPB-DZKIICNBSA-N 2 0 295.471 1.859 10 0 CDAERP CCCC[NH2+]C[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001482139174 902755138 /nfs/dbraw/zinc/75/51/38/902755138.db2.gz PMNCGGIXNZDHBS-CYBMUJFWSA-N 2 0 269.433 1.470 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C[NH2+]CC=C(Cl)Cl)[NH+](C)C ZINC001268651129 902897437 /nfs/dbraw/zinc/89/74/37/902897437.db2.gz LUBOFMORGMGYFY-NXEZZACHSA-N 2 0 296.242 1.740 10 0 CDAERP CC/C=C/CC[NH2+]C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001268691360 902973446 /nfs/dbraw/zinc/97/34/46/902973446.db2.gz VOMLGJSBMFUZTI-UZYOAWRESA-N 2 0 281.444 1.921 10 0 CDAERP CC[C@@H](C(=O)N(C)CCC[NH2+]CC1CC1)[NH+](C)C ZINC001268852917 903179525 /nfs/dbraw/zinc/17/95/25/903179525.db2.gz ZDENDSFGGNESPB-ZDUSSCGKSA-N 2 0 255.406 1.175 10 0 CDAERP CCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CC[NH+](CC1)C2 ZINC001268979029 903298803 /nfs/dbraw/zinc/29/88/03/903298803.db2.gz SXYMUTHIXBWUAP-GJZGRUSLSA-N 2 0 291.439 1.558 10 0 CDAERP C[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CCCF)C2CC2)CC1 ZINC001269110874 903431574 /nfs/dbraw/zinc/43/15/74/903431574.db2.gz PJLSOKLKXYMAEZ-AWEZNQCLSA-N 2 0 285.407 1.172 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001269261810 903619106 /nfs/dbraw/zinc/61/91/06/903619106.db2.gz CSPRAQNALYXAPF-DZEZYYDTSA-N 2 0 293.455 1.970 10 0 CDAERP CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001270829659 905111194 /nfs/dbraw/zinc/11/11/94/905111194.db2.gz MOGXCWLUBNIWTK-OCCSQVGLSA-N 2 0 255.406 1.175 10 0 CDAERP CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]CC(C)C ZINC001423054025 905874864 /nfs/dbraw/zinc/87/48/64/905874864.db2.gz AVOGIUHETMCUHD-HUUCEWRRSA-N 2 0 283.460 1.811 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@H]1C[NH2+]CCOC ZINC001271748886 906771441 /nfs/dbraw/zinc/77/14/41/906771441.db2.gz BQRVXHPQODWIPG-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C/C=C/Cl)C1 ZINC001482665178 908157806 /nfs/dbraw/zinc/15/78/06/908157806.db2.gz ZAWMVBPJFKQQCW-OWHLZJRQSA-N 2 0 299.846 1.613 10 0 CDAERP CC[NH+](CC)C1CCN(C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001364624941 921396034 /nfs/dbraw/zinc/39/60/34/921396034.db2.gz VSAXIWNFZBQRDX-INIZCTEOSA-N 2 0 297.487 1.761 10 0 CDAERP CCCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001482690767 908289565 /nfs/dbraw/zinc/28/95/65/908289565.db2.gz BTTXOWFBZVJQHS-CABCVRRESA-N 2 0 293.455 1.757 10 0 CDAERP C[C@@H](CC[NH2+]Cc1ccccn1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001482899954 908465457 /nfs/dbraw/zinc/46/54/57/908465457.db2.gz ZKDSEJAZKAEJFN-KBPBESRZSA-N 2 0 290.411 1.018 10 0 CDAERP CCN(CC[NH2+]CCCOC)C(=O)C12CCC[NH+]1CCC2 ZINC001482934826 908501465 /nfs/dbraw/zinc/50/14/65/908501465.db2.gz QYPGZLIOQAAKAW-UHFFFAOYSA-N 2 0 297.443 1.089 10 0 CDAERP CC[NH2+]C/C=C\CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001483060089 909196405 /nfs/dbraw/zinc/19/64/05/909196405.db2.gz CRAXDXJEQAXLND-IDTUSYRASA-N 2 0 285.407 1.481 10 0 CDAERP CC(C)=CC[NH2+]C/C=C\CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001483082334 909301221 /nfs/dbraw/zinc/30/12/21/909301221.db2.gz ONYYDIXAYYFRFP-XVWMLYKFSA-N 2 0 279.428 1.556 10 0 CDAERP CCC[NH2+]C/C=C\CNC(=O)CC[NH+]1CCCCC1 ZINC001483098165 909337314 /nfs/dbraw/zinc/33/73/14/909337314.db2.gz OVHXBUFJTVBHOG-PLNGDYQASA-N 2 0 267.417 1.534 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccsc1)NC(=O)C[N@H+](C)C1CCC1 ZINC001483235497 910477130 /nfs/dbraw/zinc/47/71/30/910477130.db2.gz SSRWYRFPXFSTFD-LBPRGKRZSA-N 2 0 295.452 1.827 10 0 CDAERP CC/C=C\CC[NH2+]C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001483284286 910793742 /nfs/dbraw/zinc/79/37/42/910793742.db2.gz IBDFAIQIFQTTSN-WSNITJDQSA-N 2 0 279.428 1.533 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH2+]CC2CC2)CC[N@@H+]1C ZINC001483466306 911156302 /nfs/dbraw/zinc/15/63/02/911156302.db2.gz FPVNHLMDDJWIPW-LSDHHAIUSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@H](CC[NH2+]CCC(F)(F)F)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001497153679 911280995 /nfs/dbraw/zinc/28/09/95/911280995.db2.gz GVMLDULSWIFAGY-GHMZBOCLSA-N 2 0 295.349 1.517 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001568151557 1169148617 /nfs/dbraw/zinc/14/86/17/1169148617.db2.gz DGYVYIJZYSGKAZ-CYBMUJFWSA-N 2 0 253.390 1.073 10 0 CDAERP C[NH+](C)CCCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCF ZINC001484462395 915790641 /nfs/dbraw/zinc/79/06/41/915790641.db2.gz MHOSQOCAOGVNFC-CABCVRRESA-N 2 0 299.434 1.753 10 0 CDAERP CN(CCC[N@H+](C)CCF)C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001484759913 916124371 /nfs/dbraw/zinc/12/43/71/916124371.db2.gz OXEDXLMSJNBBNR-CABCVRRESA-N 2 0 299.434 1.753 10 0 CDAERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1[NH2+]CCCF ZINC001484903505 916255163 /nfs/dbraw/zinc/25/51/63/916255163.db2.gz CJZROCUAYRTBMO-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP CC1CC[NH+](CC(=O)N2CCC(C)([NH2+]CCF)CC2)CC1 ZINC001484925312 916268598 /nfs/dbraw/zinc/26/85/98/916268598.db2.gz HBDISIKNXJCLIY-UHFFFAOYSA-N 2 0 299.434 1.659 10 0 CDAERP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]CCc1ccns1 ZINC001485191212 916652437 /nfs/dbraw/zinc/65/24/37/916652437.db2.gz UEWRHBRMIPHWJA-RYUDHWBXSA-N 2 0 298.456 1.120 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CC1CCOCC1 ZINC001485216844 916660114 /nfs/dbraw/zinc/66/01/14/916660114.db2.gz QAYIWVHOTOOYMX-UONOGXRCSA-N 2 0 299.459 1.238 10 0 CDAERP CC(C)[NH2+][C@@H](C)[C@H]1CN(C(=O)CCCC[NH+](C)C)CCO1 ZINC001485648387 917150943 /nfs/dbraw/zinc/15/09/43/917150943.db2.gz HUSCEZYSTFGDSK-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CC)CC2 ZINC001272817284 919701089 /nfs/dbraw/zinc/70/10/89/919701089.db2.gz NDZVTKOOZZHQMQ-UHFFFAOYSA-N 2 0 267.417 1.273 10 0 CDAERP C[C@H](C[NH2+]CCc1ccc(F)cc1)CN1CC[NH+](C)CC1 ZINC001116510561 919923325 /nfs/dbraw/zinc/92/33/25/919923325.db2.gz TXZGVHATNLOGCN-OAHLLOKOSA-N 2 0 293.430 1.841 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1ocnc1C)[NH+](C)C ZINC001272865167 919927781 /nfs/dbraw/zinc/92/77/81/919927781.db2.gz KEZMTRSKGCFSSS-DGCLKSJQSA-N 2 0 296.415 1.308 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001485877773 920543406 /nfs/dbraw/zinc/54/34/06/920543406.db2.gz ZECHRTNQJPKNAO-DZGCQCFKSA-N 2 0 281.444 1.421 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC(C)C ZINC001485960727 920629662 /nfs/dbraw/zinc/62/96/62/920629662.db2.gz KYEGBSWFQTUKJV-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@H](C[NH2+]CC[C@@H]1CCCO1)N(C)C(=O)C[NH+]1CCCC1 ZINC001568318786 1169243001 /nfs/dbraw/zinc/24/30/01/1169243001.db2.gz GAAKBGSVEXWXPJ-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CCOCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001491202493 936874347 /nfs/dbraw/zinc/87/43/47/936874347.db2.gz CYJYFGOVJOJSDL-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP COC[C@@H](C)[N@@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001410024197 923969986 /nfs/dbraw/zinc/96/99/86/923969986.db2.gz DDKBUDPTABPFBF-KGLIPLIRSA-N 2 0 299.459 1.188 10 0 CDAERP CCC[N@@H+]1C[C@H](NC(=O)C[NH+](C)C2CCC2)C(C)(C)C1 ZINC001410026914 924056466 /nfs/dbraw/zinc/05/64/66/924056466.db2.gz UTPAUMHJIKPJCC-AWEZNQCLSA-N 2 0 281.444 1.707 10 0 CDAERP CC1CC[NH+](CC[C@H]2CCC[N@@H+]2CCOCCO)CC1 ZINC001196934770 925012020 /nfs/dbraw/zinc/01/20/20/925012020.db2.gz CWSWIYCKOQMXFK-MRXNPFEDSA-N 2 0 284.444 1.582 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001410230647 925431876 /nfs/dbraw/zinc/43/18/76/925431876.db2.gz VZTMYZBRACLYBK-XUXIUFHCSA-N 2 0 287.423 1.559 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC1CCCC1 ZINC001410508450 925845286 /nfs/dbraw/zinc/84/52/86/925845286.db2.gz WURFRQPFQQWQLZ-ZFWWWQNUSA-N 2 0 281.444 1.565 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001488949847 926760162 /nfs/dbraw/zinc/76/01/62/926760162.db2.gz ZPIARSQIBFBINZ-XBFYPFSCSA-N 2 0 287.835 1.565 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001411003701 926878790 /nfs/dbraw/zinc/87/87/90/926878790.db2.gz ZDSQVZPTOXHMMW-STQMWFEESA-N 2 0 287.423 1.513 10 0 CDAERP C[N@@H+](C/C=C/Cl)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001490280345 927071951 /nfs/dbraw/zinc/07/19/51/927071951.db2.gz XFSQCMNFSCVCCD-UXONFWTHSA-N 2 0 273.808 1.129 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NCCC[NH+](C/C=C/Cl)C2CC2)C1 ZINC001490394474 927147156 /nfs/dbraw/zinc/14/71/56/927147156.db2.gz VYRBZFNYIASIIL-VRMVNXKISA-N 2 0 299.846 1.661 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H](C[N@H+](C)CCCF)C1 ZINC001490770047 927333148 /nfs/dbraw/zinc/33/31/48/927333148.db2.gz AJUMFSFHCDIHCG-CQSZACIVSA-N 2 0 287.423 1.468 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)C1CC([NH2+]C[C@@H](F)CC)C1 ZINC001411272631 927438155 /nfs/dbraw/zinc/43/81/55/927438155.db2.gz GBSAIPRJWQQGJP-HSBZDZAISA-N 2 0 287.423 1.655 10 0 CDAERP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C=C1CC[NH2+]CC1 ZINC000852862302 927898658 /nfs/dbraw/zinc/89/86/58/927898658.db2.gz ZAEGPIQTNPCXGJ-ZIAGYGMSSA-N 2 0 279.428 1.533 10 0 CDAERP C[NH2+]C[C@@H]1CCCCN1CCC[NH+]1CCCCC1 ZINC000695544417 937266517 /nfs/dbraw/zinc/26/65/17/937266517.db2.gz KSUKVUPSBOWDDX-HNNXBMFYSA-N 2 0 253.434 1.936 10 0 CDAERP CC[NH+](CC)CCCCNC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC001137167825 929876535 /nfs/dbraw/zinc/87/65/35/929876535.db2.gz WTMDUVMCTYJZCB-HUUCEWRRSA-N 2 0 299.459 1.070 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCCF ZINC001319455417 931205552 /nfs/dbraw/zinc/20/55/52/931205552.db2.gz SCWXQYBPOFPVIP-UONOGXRCSA-N 2 0 287.423 1.655 10 0 CDAERP CC(C)[NH2+]C[C@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001275189343 931693353 /nfs/dbraw/zinc/69/33/53/931693353.db2.gz FXAWFBHJGMBVOF-QWHCGFSZSA-N 2 0 255.406 1.364 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)CC[NH+](C)C)C1 ZINC001144220882 931708550 /nfs/dbraw/zinc/70/85/50/931708550.db2.gz SWGGRIQYOISGSY-UONOGXRCSA-N 2 0 269.433 1.563 10 0 CDAERP CCCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001275792397 932039016 /nfs/dbraw/zinc/03/90/16/932039016.db2.gz POIRQVPPQDRERC-OLZOCXBDSA-N 2 0 255.406 1.317 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+]2CC[C@@H](F)C2)C1 ZINC001412226638 932330459 /nfs/dbraw/zinc/33/04/59/932330459.db2.gz MVMWTYHUTHHHFU-KGLIPLIRSA-N 2 0 285.407 1.361 10 0 CDAERP CCN1CC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001147145221 932426683 /nfs/dbraw/zinc/42/66/83/932426683.db2.gz BLOHHXHFHXBRPY-STQMWFEESA-N 2 0 267.417 1.317 10 0 CDAERP [NH3+][C@H]1CCCC[C@@H]1C(=O)NCC1([NH3+])CCCCC1 ZINC001118193317 937600715 /nfs/dbraw/zinc/60/07/15/937600715.db2.gz AQRQQNLVTSCTHC-RYUDHWBXSA-N 2 0 253.390 1.282 10 0 CDAERP Cc1cc(C[NH2+]CCCN(C)C(=O)CC[NH+](C)C)sn1 ZINC001276208105 932641750 /nfs/dbraw/zinc/64/17/50/932641750.db2.gz ACWFDYPQLDWIFO-UHFFFAOYSA-N 2 0 298.456 1.341 10 0 CDAERP CCCC[NH2+]CCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001276227457 932663633 /nfs/dbraw/zinc/66/36/33/932663633.db2.gz SXPNJJMRNTXAFS-CQSZACIVSA-N 2 0 269.433 1.566 10 0 CDAERP C[NH+]1C[C@@]2(C)CN(CCOCC3CC3)C[C@]2(C)C1 ZINC001119821799 937757995 /nfs/dbraw/zinc/75/79/95/937757995.db2.gz ZYESZHLZYGQMRF-GJZGRUSLSA-N 2 0 252.402 1.687 10 0 CDAERP FC(F)(F)[C@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000687574268 934313684 /nfs/dbraw/zinc/31/36/84/934313684.db2.gz IEUFQILFWGFNCQ-GHMZBOCLSA-N 2 0 266.307 1.639 10 0 CDAERP C[C@H](CCNC(=O)[C@@H](C)CC[NH+](C)C)[NH+]1CCCCC1 ZINC001412816534 934378376 /nfs/dbraw/zinc/37/83/76/934378376.db2.gz MPSJVBBBQPWHEX-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC001413187503 935934635 /nfs/dbraw/zinc/93/46/35/935934635.db2.gz NHTFKBZDUUTQPB-HZSPNIEDSA-N 2 0 281.444 1.706 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)NCC[C@H](C)[NH+](C)C)CC1 ZINC001413273931 935971032 /nfs/dbraw/zinc/97/10/32/935971032.db2.gz SWFUVGOBELSUAB-AWEZNQCLSA-N 2 0 283.460 1.811 10 0 CDAERP C[NH2+]CCCCC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000720510411 940455656 /nfs/dbraw/zinc/45/56/56/940455656.db2.gz LDWDWLUZQGBBQY-CHWSQXEVSA-N 2 0 285.457 1.072 10 0 CDAERP Cc1ncsc1CC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405411045 940986532 /nfs/dbraw/zinc/98/65/32/940986532.db2.gz NBABKMIUYQOMGU-NEPJUHHUSA-N 2 0 251.399 1.854 10 0 CDAERP Cc1ncsc1CC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405411050 940987279 /nfs/dbraw/zinc/98/72/79/940987279.db2.gz NBABKMIUYQOMGU-VXGBXAGGSA-N 2 0 251.399 1.854 10 0 CDAERP CCN(CC[NH2+]C[C@H](C)OC)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001568764268 1169465735 /nfs/dbraw/zinc/46/57/35/1169465735.db2.gz CFLCGJXQGMYTIU-AWEZNQCLSA-N 2 0 299.459 1.334 10 0 CDAERP CCC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001277046256 941863353 /nfs/dbraw/zinc/86/33/53/941863353.db2.gz LJOXACNZJGJLGE-MGPQQGTHSA-N 2 0 267.417 1.223 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC(C)C)C1)[NH+](C)C ZINC001277046674 941864832 /nfs/dbraw/zinc/86/48/32/941864832.db2.gz ZPRIKVIAEZQQIZ-IHRRRGAJSA-N 2 0 269.433 1.467 10 0 CDAERP C[N@@H+]1C[C@@H]2C[NH+](CC3(O)CCCCCC3)C[C@]2(C)C1 ZINC001473842393 970863055 /nfs/dbraw/zinc/86/30/55/970863055.db2.gz OPAXFAFKNZTHNQ-CABCVRRESA-N 2 0 266.429 1.955 10 0 CDAERP CCCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001281672338 942607475 /nfs/dbraw/zinc/60/74/75/942607475.db2.gz AKTPJLWWJVOFIR-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP CCCCC[NH2+]CC1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001282073861 942654776 /nfs/dbraw/zinc/65/47/76/942654776.db2.gz JYLXVLCAZKEJCR-SHARSMKWSA-N 2 0 281.444 1.613 10 0 CDAERP CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001283508370 942919489 /nfs/dbraw/zinc/91/94/89/942919489.db2.gz QLXRIJVFYPGMPY-UONOGXRCSA-N 2 0 267.417 1.317 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001284247800 943130048 /nfs/dbraw/zinc/13/00/48/943130048.db2.gz RBBGDNRWHYUCFU-UONOGXRCSA-N 2 0 267.417 1.367 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001263850737 944001374 /nfs/dbraw/zinc/00/13/74/944001374.db2.gz XYQWVHZWKSVHIE-OKILXGFUSA-N 2 0 267.417 1.367 10 0 CDAERP COCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001264679449 944162333 /nfs/dbraw/zinc/16/23/33/944162333.db2.gz FMRSQNIDXGDRQE-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)C1CC[NH+](CCCOC)CC1 ZINC001265200272 944266973 /nfs/dbraw/zinc/26/69/73/944266973.db2.gz MCQBGGMKSDRFML-UHFFFAOYSA-N 2 0 299.459 1.288 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCCCCF)C1 ZINC001265436242 944388248 /nfs/dbraw/zinc/38/82/48/944388248.db2.gz CKNRBKXTYZSBOK-GJZGRUSLSA-N 2 0 299.434 1.801 10 0 CDAERP CC/C=C\CC[NH2+][C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001265503257 944411927 /nfs/dbraw/zinc/41/19/27/944411927.db2.gz OFEXGVCCIYQKDG-MGEQYWNPSA-N 2 0 291.439 1.675 10 0 CDAERP CCCCCC[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001265864692 944547053 /nfs/dbraw/zinc/54/70/53/944547053.db2.gz VOTZOYMMZGWDKE-ZIAGYGMSSA-N 2 0 269.433 1.613 10 0 CDAERP C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)CCC(C)(C)C ZINC001265971260 944607433 /nfs/dbraw/zinc/60/74/33/944607433.db2.gz GKLZTCGEVMWJBJ-CQSZACIVSA-N 2 0 283.460 1.812 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CCC[C@@H]([N@H+](C)CCCO)C1 ZINC001266116140 944689105 /nfs/dbraw/zinc/68/91/05/944689105.db2.gz GGOAHFHRUNVYQO-OAHLLOKOSA-N 2 0 299.459 1.024 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)CC[NH+]2CC[C@H](F)C2)C[N@@H+]1C1CC1 ZINC001362281092 971112511 /nfs/dbraw/zinc/11/25/11/971112511.db2.gz KUQCNXOEXKJRRY-AGIUHOORSA-N 2 0 283.391 1.162 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]C(C)C ZINC001266191856 944743777 /nfs/dbraw/zinc/74/37/77/944743777.db2.gz LLQSSVLTCZQXCV-KGLIPLIRSA-N 2 0 269.433 1.754 10 0 CDAERP CC(C)=CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H]1C ZINC001278325066 946165511 /nfs/dbraw/zinc/16/55/11/946165511.db2.gz HKVTVYVQRQTHJC-HUUCEWRRSA-N 2 0 279.428 1.627 10 0 CDAERP C[NH+](C)CCC(=O)NC/C=C\C[NH2+]Cc1cccc(F)c1 ZINC001568911875 1169545368 /nfs/dbraw/zinc/54/53/68/1169545368.db2.gz IFDPQKAGXKBSKM-ARJAWSKDSA-N 2 0 293.386 1.539 10 0 CDAERP C[N@H+](CCF)CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001479775584 971411931 /nfs/dbraw/zinc/41/19/31/971411931.db2.gz BJLMNQSLWDMOKW-HNNXBMFYSA-N 2 0 299.434 1.801 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC001362612387 971456983 /nfs/dbraw/zinc/45/69/83/971456983.db2.gz NTMHIGFNHLXVHH-GOEBONIOSA-N 2 0 295.471 1.765 10 0 CDAERP C[C@H]([NH2+]CCCF)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001279006041 948564219 /nfs/dbraw/zinc/56/42/19/948564219.db2.gz IGHLDKPZSOAHAN-UONOGXRCSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)CNC(=O)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC001257445015 948600557 /nfs/dbraw/zinc/60/05/57/948600557.db2.gz SMNGUXUZDUIEJW-MCIONIFRSA-N 2 0 267.417 1.221 10 0 CDAERP CCN1CC[C@@H]1C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC001362689442 971531724 /nfs/dbraw/zinc/53/17/24/971531724.db2.gz XWXPDHDBUGUMHW-BMFZPTHFSA-N 2 0 289.423 1.888 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]([NH2+]CC2CC2)C1 ZINC001480144018 971599971 /nfs/dbraw/zinc/59/99/71/971599971.db2.gz UKLPFWNUFDQMHP-KKUMJFAQSA-N 2 0 279.428 1.508 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001480303752 971663538 /nfs/dbraw/zinc/66/35/38/971663538.db2.gz GRWLOJOXRDQUBI-MRXNPFEDSA-N 2 0 293.455 1.877 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CCC1CC1)[NH+](C)C ZINC001569092006 1169641929 /nfs/dbraw/zinc/64/19/29/1169641929.db2.gz NDVBDRXKQLUMBG-AAEUAGOBSA-N 2 0 255.406 1.221 10 0 CDAERP C[NH+](C)CCC(=O)NC1CCC([NH2+]CCC2CC2)CC1 ZINC001480407771 971706705 /nfs/dbraw/zinc/70/67/05/971706705.db2.gz GYAGGBWQEIBIDK-UHFFFAOYSA-N 2 0 281.444 1.755 10 0 CDAERP CC[NH2+][C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC1(C)C ZINC001278666496 951281145 /nfs/dbraw/zinc/28/11/45/951281145.db2.gz CSXVUMFNBPQEDK-LBPRGKRZSA-N 2 0 267.417 1.175 10 0 CDAERP C[NH+]1CCC(CC(=O)NC[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001363032383 971829591 /nfs/dbraw/zinc/82/95/91/971829591.db2.gz WMHAVUZNQNERHV-OAHLLOKOSA-N 2 0 279.428 1.176 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH+]1CC[C@H](F)C1 ZINC001363037680 971834199 /nfs/dbraw/zinc/83/41/99/971834199.db2.gz DXSZIEAFSFXCNI-STQMWFEESA-N 2 0 271.380 1.021 10 0 CDAERP O=C(CC[NH+]1CCCCC1)N1CC[C@H](C[NH2+]CCCF)C1 ZINC001480679736 971834628 /nfs/dbraw/zinc/83/46/28/971834628.db2.gz CTFUNJBIAMKYME-OAHLLOKOSA-N 2 0 299.434 1.660 10 0 CDAERP CC[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CCCOC)C1)[NH+](C)C ZINC001480734989 971855920 /nfs/dbraw/zinc/85/59/20/971855920.db2.gz AOWFAMDTIZEPSA-CABCVRRESA-N 2 0 299.459 1.286 10 0 CDAERP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@@H+](C)CC2(C)C)cn1 ZINC001363615947 953549722 /nfs/dbraw/zinc/54/97/22/953549722.db2.gz JRZBGJDQQSCSRF-GFCCVEGCSA-N 2 0 278.400 1.383 10 0 CDAERP CCCCC[N@@H+]1CC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001493254946 971999358 /nfs/dbraw/zinc/99/93/58/971999358.db2.gz LQAGPJZYSDTFCN-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001326432355 954380725 /nfs/dbraw/zinc/38/07/25/954380725.db2.gz ROSLFKCKQVVOKU-HUUCEWRRSA-N 2 0 281.444 1.422 10 0 CDAERP CCN1CC[C@@H]1C(=O)NCCC1CC[NH+](C(C)C)CC1 ZINC001364281949 954419188 /nfs/dbraw/zinc/41/91/88/954419188.db2.gz DKVWDJYNCDEEEK-OAHLLOKOSA-N 2 0 281.444 1.707 10 0 CDAERP O=C(NCC1([NH2+]CCCF)CCC1)C12CC[NH+](CC1)C2 ZINC001326913546 954616395 /nfs/dbraw/zinc/61/63/95/954616395.db2.gz PLYAFPJKNXHNBF-UHFFFAOYSA-N 2 0 283.391 1.070 10 0 CDAERP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](C)CN2CCOCC2)C1 ZINC001364655747 954966402 /nfs/dbraw/zinc/96/64/02/954966402.db2.gz QNNKUTOACSSBBG-CVEARBPZSA-N 2 0 283.460 1.228 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+][C@@H](C)c1ccccc1 ZINC001491569550 955309743 /nfs/dbraw/zinc/30/97/43/955309743.db2.gz RNMLJZASZXECTP-KBPBESRZSA-N 2 0 277.412 1.794 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](C/C=C\Cl)C[C@@H]2C1 ZINC001421570530 955415556 /nfs/dbraw/zinc/41/55/56/955415556.db2.gz BOXUVWCSKKOBLK-XTBPLBNGSA-N 2 0 299.846 1.469 10 0 CDAERP COCC[NH2+][C@H]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001491874703 955487396 /nfs/dbraw/zinc/48/73/96/955487396.db2.gz QCQCXKKRCPXSGA-UONOGXRCSA-N 2 0 297.443 1.134 10 0 CDAERP C[C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cscn1 ZINC001491995023 955571703 /nfs/dbraw/zinc/57/17/03/955571703.db2.gz CXXNAENWHQYENH-YPMHNXCESA-N 2 0 296.440 1.222 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)C1 ZINC001363359085 972111896 /nfs/dbraw/zinc/11/18/96/972111896.db2.gz VWWYGINTSKWQRG-INMHGKMJSA-N 2 0 293.455 1.661 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC[C@@]2(CC[NH+](CC)C2)C1 ZINC001421958619 955675780 /nfs/dbraw/zinc/67/57/80/955675780.db2.gz QLJNFPKUMUMSKH-INIZCTEOSA-N 2 0 281.444 1.663 10 0 CDAERP CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001421958585 955676614 /nfs/dbraw/zinc/67/66/14/955676614.db2.gz QDUADHBBGQJQPK-INIZCTEOSA-N 2 0 293.455 1.663 10 0 CDAERP C[C@@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]C/C=C/Cl ZINC001422154306 955793097 /nfs/dbraw/zinc/79/30/97/955793097.db2.gz PKUAITUOQMNSMH-BVAIOKDQSA-N 2 0 287.835 1.708 10 0 CDAERP C[C@@H]1[C@H](C(=O)N(C)CC(C)(C)C[NH2+]CCF)CC[N@@H+]1C ZINC001329291437 955802205 /nfs/dbraw/zinc/80/22/05/955802205.db2.gz UOGDZGGQJHHVLS-CHWSQXEVSA-N 2 0 287.423 1.370 10 0 CDAERP CC(C)CC[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001329613510 956020692 /nfs/dbraw/zinc/02/06/92/956020692.db2.gz OJEFYHDIZSPJTP-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C[NH2+]C[C@@H]1CC(C)(C)CO1)[NH+](C)C ZINC001422657407 956239461 /nfs/dbraw/zinc/23/94/61/956239461.db2.gz CBLCMDOINKZWHR-MELADBBJSA-N 2 0 299.459 1.236 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)C1C[NH+](CC2CCCC2)C1 ZINC001422757342 956308200 /nfs/dbraw/zinc/30/82/00/956308200.db2.gz VZCYIDXSHJPFJS-CQSZACIVSA-N 2 0 295.471 1.955 10 0 CDAERP CCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001494135024 972183330 /nfs/dbraw/zinc/18/33/30/972183330.db2.gz LQBBIKMLFSYUSU-BZUAXINKSA-N 2 0 295.471 1.907 10 0 CDAERP CC[NH2+][C@H](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001422945208 956466091 /nfs/dbraw/zinc/46/60/91/956466091.db2.gz CCDKBGPIQUNSDL-HUUCEWRRSA-N 2 0 281.444 1.469 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001423004760 956505132 /nfs/dbraw/zinc/50/51/32/956505132.db2.gz KUFCMIROKWRLKX-JKSUJKDBSA-N 2 0 293.455 1.898 10 0 CDAERP CC[C@H](C(=O)NC[C@H]1CC[N@@H+]1CC(C)C)[NH+](CC)CC ZINC001423131677 956611171 /nfs/dbraw/zinc/61/11/71/956611171.db2.gz BSOLAFGTSIFLOU-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001366171254 956617673 /nfs/dbraw/zinc/61/76/73/956617673.db2.gz UEWIWXOMLYWFCA-SOUVJXGZSA-N 2 0 299.434 1.847 10 0 CDAERP C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CCC1 ZINC001423156273 956632173 /nfs/dbraw/zinc/63/21/73/956632173.db2.gz WYIQOGMQAZYXSU-ZFWWWQNUSA-N 2 0 281.444 1.565 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]([NH2+]C/C=C/Cl)C2)C1 ZINC001494249552 972202752 /nfs/dbraw/zinc/20/27/52/972202752.db2.gz RXWRSGIMNBHJBD-OIOWFRMASA-N 2 0 285.819 1.271 10 0 CDAERP C[C@@H]1[C@@H]([NH2+]Cc2ccccc2)CCN1C(=O)CC[NH+](C)C ZINC001423323586 956723355 /nfs/dbraw/zinc/72/33/55/956723355.db2.gz KYVGWQJFTGTWDD-ZBFHGGJFSA-N 2 0 289.423 1.717 10 0 CDAERP C[C@@H]1[C@H]([NH2+]CC2CCCC2)CCN1C(=O)CC[NH+](C)C ZINC001423330667 956726598 /nfs/dbraw/zinc/72/65/98/956726598.db2.gz XFYCDQUKPQUJHK-UKRRQHHQSA-N 2 0 281.444 1.707 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]C/C=C/Cl ZINC001366370880 956778012 /nfs/dbraw/zinc/77/80/12/956778012.db2.gz YGHXVEZGHIRBNW-ZYARKTQMSA-N 2 0 287.835 1.708 10 0 CDAERP CC[NH+]1CCC(C)(NC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001423518808 956827247 /nfs/dbraw/zinc/82/72/47/956827247.db2.gz MBVVFOFYABXNQQ-UHFFFAOYSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+]CC=C(Cl)Cl ZINC001366488355 956866835 /nfs/dbraw/zinc/86/68/35/956866835.db2.gz NPDUCMYXVJDSGL-SNVBAGLBSA-N 2 0 296.242 1.742 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)C1CC[NH+](CCF)CC1 ZINC001423666468 956928930 /nfs/dbraw/zinc/92/89/30/956928930.db2.gz OMCSHOWWOKNLGZ-ZDUSSCGKSA-N 2 0 287.423 1.514 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]1C ZINC001316796122 957022082 /nfs/dbraw/zinc/02/20/82/957022082.db2.gz DYRRWYXNISSJNY-KGLIPLIRSA-N 2 0 269.433 1.707 10 0 CDAERP CCCC[N@@H+]1CC[C@@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001366849658 957213743 /nfs/dbraw/zinc/21/37/43/957213743.db2.gz CHOMDFXNCIWVSH-OAHLLOKOSA-N 2 0 281.444 1.711 10 0 CDAERP CC[C@H](C(=O)NCC[C@@H]1CC[N@H+](CCCF)C1)[NH+](C)C ZINC001366856986 957225884 /nfs/dbraw/zinc/22/58/84/957225884.db2.gz ZJXGDQQKVPROQG-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001317067833 957240837 /nfs/dbraw/zinc/24/08/37/957240837.db2.gz FNSXYZPYBOJRJD-INIZCTEOSA-N 2 0 293.455 1.853 10 0 CDAERP CO[C@H](C)C[NH2+]C1(C)CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001424499962 957256096 /nfs/dbraw/zinc/25/60/96/957256096.db2.gz QXHUCIKHVROFIL-CQSZACIVSA-N 2 0 299.459 1.332 10 0 CDAERP [NH3+]C[C@H](NC(=O)[C@H]1CCCC[C@@H]1[NH3+])C1CCCC1 ZINC001331889237 957318735 /nfs/dbraw/zinc/31/87/35/957318735.db2.gz NZWKZCCHJPBQQI-AVGNSLFASA-N 2 0 253.390 1.138 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](C[NH2+]C/C=C/Cl)C2)C1 ZINC001317341853 957431186 /nfs/dbraw/zinc/43/11/86/957431186.db2.gz CSRZXABFECJRHL-MHDDQSTRSA-N 2 0 285.819 1.129 10 0 CDAERP COCCC[N@@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)[C@@H]1C ZINC001332203026 957476261 /nfs/dbraw/zinc/47/62/61/957476261.db2.gz ZTKWRTFQFBJFSE-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@H]2C[N@H+](CC3CC3)CC2(C)C)CC1 ZINC001425303382 957510733 /nfs/dbraw/zinc/51/07/33/957510733.db2.gz IBTDOYLWTWTZQX-AWEZNQCLSA-N 2 0 293.455 1.565 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[N@H+](CC)CC1(C)C)[NH+](CC)CC ZINC001425298703 957510851 /nfs/dbraw/zinc/51/08/51/957510851.db2.gz AAVIUFBJVBLQIC-KGLIPLIRSA-N 2 0 283.460 1.953 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H](C[NH2+]CC2CC2)C1 ZINC001425400776 957527690 /nfs/dbraw/zinc/52/76/90/957527690.db2.gz GWYBHVRKQKRGCB-JYJNAYRXSA-N 2 0 293.455 1.755 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccccn1 ZINC001425544822 957562725 /nfs/dbraw/zinc/56/27/25/957562725.db2.gz LESHLRIFODYYLE-ZFWWWQNUSA-N 2 0 290.411 1.112 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001425681251 957599463 /nfs/dbraw/zinc/59/94/63/957599463.db2.gz OFFWMUOQRGJGCB-LSDHHAIUSA-N 2 0 283.460 1.811 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1[NH+](CCC)CC2 ZINC001425892632 957636908 /nfs/dbraw/zinc/63/69/08/957636908.db2.gz DMXUHVVYQAJPAN-ZBFHGGJFSA-N 2 0 281.444 1.851 10 0 CDAERP CC(C)OCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001494668987 972284229 /nfs/dbraw/zinc/28/42/29/972284229.db2.gz VPKPCBOPKBNSDJ-GJZGRUSLSA-N 2 0 297.443 1.038 10 0 CDAERP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cnc(C)s1 ZINC001367128138 957696198 /nfs/dbraw/zinc/69/61/98/957696198.db2.gz NQQCBSQCIJVPQH-LBPRGKRZSA-N 2 0 298.456 1.388 10 0 CDAERP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1nccs1 ZINC001367129255 957696565 /nfs/dbraw/zinc/69/65/65/957696565.db2.gz SONVAFJEYSNVPI-NSHDSACASA-N 2 0 284.429 1.079 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001426136507 957704646 /nfs/dbraw/zinc/70/46/46/957704646.db2.gz JWJXSEKPWWXOCP-QWHCGFSZSA-N 2 0 289.439 1.807 10 0 CDAERP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001494759545 972304358 /nfs/dbraw/zinc/30/43/58/972304358.db2.gz NLNKJWCHHDEVLH-CQSZACIVSA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]C(C)C)[NH+](CC)CC ZINC001367375891 957979222 /nfs/dbraw/zinc/97/92/22/957979222.db2.gz ASFGPMDHASGIKQ-UONOGXRCSA-N 2 0 271.449 1.952 10 0 CDAERP CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001318527098 958158789 /nfs/dbraw/zinc/15/87/89/958158789.db2.gz LIGWEOWFXIOUKO-RWMBFGLXSA-N 2 0 255.406 1.221 10 0 CDAERP C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)C[NH2+]CCCF ZINC001319210281 958436643 /nfs/dbraw/zinc/43/66/43/958436643.db2.gz VRNCTPPEPUIYNI-AWEZNQCLSA-N 2 0 299.434 1.564 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H](NCCC[NH+]2CCCC2)C1 ZINC001333596792 958443800 /nfs/dbraw/zinc/44/38/00/958443800.db2.gz MTSXEICBJVSLKQ-ZIAGYGMSSA-N 2 0 253.434 1.968 10 0 CDAERP C[C@@H](C[NH2+]CCF)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001319494181 958592150 /nfs/dbraw/zinc/59/21/50/958592150.db2.gz QQVBMHTZIMIYGX-LBPRGKRZSA-N 2 0 271.380 1.021 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001368167796 958679424 /nfs/dbraw/zinc/67/94/24/958679424.db2.gz IKUDSGGOZUXWGY-INIZCTEOSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001319860617 958756914 /nfs/dbraw/zinc/75/69/14/958756914.db2.gz HGELMPAMBMAEBU-LSDHHAIUSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001368351499 958780432 /nfs/dbraw/zinc/78/04/32/958780432.db2.gz ZITBBAPKKOSZMC-LSDHHAIUSA-N 2 0 281.444 1.565 10 0 CDAERP Cc1n[nH]c(C)c1C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001334053758 958793887 /nfs/dbraw/zinc/79/38/87/958793887.db2.gz AHNOSILXTKRZOX-OAHLLOKOSA-N 2 0 262.401 1.992 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC2)C1 ZINC001368480661 958888877 /nfs/dbraw/zinc/88/88/77/958888877.db2.gz OKGSRMZTYZAMEB-OWCLPIDISA-N 2 0 293.455 1.755 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CCO1 ZINC001368506432 958903833 /nfs/dbraw/zinc/90/38/33/958903833.db2.gz BYGDSCTZSUUXCM-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP CCOCC[N@H+](C)CCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001320058887 958909241 /nfs/dbraw/zinc/90/92/41/958909241.db2.gz NEPSPNDMYQWCSR-UHFFFAOYSA-N 2 0 299.459 1.145 10 0 CDAERP CC[NH2+][C@@H]1CC[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001368640387 959008520 /nfs/dbraw/zinc/00/85/20/959008520.db2.gz HGPSVXPBMMCIKT-LSDHHAIUSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)OCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001320423110 959161291 /nfs/dbraw/zinc/16/12/91/959161291.db2.gz SZJCHKXVIXJHGS-RBSFLKMASA-N 2 0 299.459 1.236 10 0 CDAERP C[C@@H]([NH2+]Cc1cccnc1)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001368914909 959245786 /nfs/dbraw/zinc/24/57/86/959245786.db2.gz OWDUFDZTHCTHON-KGLIPLIRSA-N 2 0 290.411 1.160 10 0 CDAERP CC[C@@H](F)C[N@H+](C)[C@@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001368953907 959321157 /nfs/dbraw/zinc/32/11/57/959321157.db2.gz MJPPFHIVFZWBPT-QWHCGFSZSA-N 2 0 287.423 1.655 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1CCCCC[N@@H+]1CCF ZINC001369082204 959414417 /nfs/dbraw/zinc/41/44/17/959414417.db2.gz ZJGMDJNYCNROMB-ZDUSSCGKSA-N 2 0 273.396 1.268 10 0 CDAERP CCN(CC[NH2+]CC[C@@H](C)F)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001320921108 959460021 /nfs/dbraw/zinc/46/00/21/959460021.db2.gz MHAFJXNJIDQIAQ-CHWSQXEVSA-N 2 0 273.396 1.124 10 0 CDAERP CC(C)C[N@@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001369110929 959466518 /nfs/dbraw/zinc/46/65/18/959466518.db2.gz CBMQVCIEHBTVGZ-AWEZNQCLSA-N 2 0 295.471 1.811 10 0 CDAERP CC[N@@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001369127822 959476236 /nfs/dbraw/zinc/47/62/36/959476236.db2.gz WYCCSJOUKYPRSI-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC/C=C/C[NH2+]CCC(F)(F)F ZINC001321420075 959778139 /nfs/dbraw/zinc/77/81/39/959778139.db2.gz RHSRCUCDERZPFK-SNAWJCMRSA-N 2 0 295.349 1.541 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@H](C)C[N@@H+](C)CC ZINC001322169503 960118892 /nfs/dbraw/zinc/11/88/92/960118892.db2.gz PUUDTATUPFJGFP-NEPJUHHUSA-N 2 0 261.385 1.123 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001322182712 960122582 /nfs/dbraw/zinc/12/25/82/960122582.db2.gz IBIROEAYKRKZPA-GJZGRUSLSA-N 2 0 283.460 1.975 10 0 CDAERP CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001495379644 972485205 /nfs/dbraw/zinc/48/52/05/972485205.db2.gz ODDPZWBXACSMFE-HUUCEWRRSA-N 2 0 283.460 1.811 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCC(C)(C)C)C1)[NH+](C)C ZINC001370715002 960185113 /nfs/dbraw/zinc/18/51/13/960185113.db2.gz TUBSPXJGVIJFRU-HZSPNIEDSA-N 2 0 283.460 2.000 10 0 CDAERP CC[NH2+]CCCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001322565489 960262287 /nfs/dbraw/zinc/26/22/87/960262287.db2.gz FFKGWHLTYIBIBT-KBPBESRZSA-N 2 0 267.417 1.461 10 0 CDAERP CN(CCC[NH2+]CC1=CCCCC1)C(=O)CC[NH+](C)C ZINC001322678601 960295822 /nfs/dbraw/zinc/29/58/22/960295822.db2.gz RDPLSBGNNSCHIY-UHFFFAOYSA-N 2 0 281.444 1.877 10 0 CDAERP C[C@@H]1CCC[N@H+](CCNC(=O)CC[NH+]2CC[C@H](F)C2)C1 ZINC001433609908 960445624 /nfs/dbraw/zinc/44/56/24/960445624.db2.gz VKDGOOKOYIWKPZ-KGLIPLIRSA-N 2 0 285.407 1.268 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H](C[NH2+]CCCF)C2CC2)C1 ZINC001323095183 960446908 /nfs/dbraw/zinc/44/69/08/960446908.db2.gz WCBFIALOPRQENM-JSGCOSHPSA-N 2 0 285.407 1.172 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+]3CCC[C@H]3C2)CC[N@@H+]1C ZINC001433628227 960466702 /nfs/dbraw/zinc/46/67/02/960466702.db2.gz BHAOQHXLIRJQFV-SOUVJXGZSA-N 2 0 279.428 1.413 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001418648315 960846219 /nfs/dbraw/zinc/84/62/19/960846219.db2.gz MJSZCPCWWLTALE-IGQOVBAYSA-N 2 0 285.407 1.313 10 0 CDAERP CCc1nccn1[C@@H](C)CC(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC001434014119 960882450 /nfs/dbraw/zinc/88/24/50/960882450.db2.gz PASHRCKXFDACBJ-MJBXVCDLSA-N 2 0 290.411 1.559 10 0 CDAERP CO[C@H](C)C[NH2+][C@@H]1CCCCCN(C(=O)CC[NH+](C)C)C1 ZINC001418784835 961013876 /nfs/dbraw/zinc/01/38/76/961013876.db2.gz BMPPGLYQFNHOJG-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP C[NH+](C)C1(C(=O)N2CCC[C@H]2C[NH2+]C/C=C/Cl)CCC1 ZINC001324174890 961218326 /nfs/dbraw/zinc/21/83/26/961218326.db2.gz JZLGIQKWIMRNLT-NEXMIYJRSA-N 2 0 299.846 1.804 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H]2C[NH2+]CCF)C1 ZINC001324212167 961234520 /nfs/dbraw/zinc/23/45/20/961234520.db2.gz CUKAXAKXZWJELF-GJZGRUSLSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CCCF)[NH+](C)C ZINC001324264124 961269555 /nfs/dbraw/zinc/26/95/55/961269555.db2.gz QWIWNOTWHJRLGY-ZIAGYGMSSA-N 2 0 287.423 1.513 10 0 CDAERP CCN(C(=O)C[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001419167816 961455086 /nfs/dbraw/zinc/45/50/86/961455086.db2.gz WVCQUEBFJMIJDN-CVEARBPZSA-N 2 0 295.471 1.907 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]([NH2+]C/C=C\Cl)C1 ZINC001419408923 961668659 /nfs/dbraw/zinc/66/86/59/961668659.db2.gz ZGZDAQNEPPTIMW-FGTKFQECSA-N 2 0 299.846 1.850 10 0 CDAERP CC[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C(C)C)[NH+](C)C ZINC001419448082 961716827 /nfs/dbraw/zinc/71/68/27/961716827.db2.gz OYXYDKPJOCXFHQ-DKUMPPAJSA-N 2 0 281.444 1.847 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1cncs1)[NH+](C)C ZINC001419530992 961792103 /nfs/dbraw/zinc/79/21/03/961792103.db2.gz UACDHURSNHMHLC-DGCLKSJQSA-N 2 0 298.456 1.325 10 0 CDAERP Cc1ncoc1C[NH2+]C[C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001419546690 961805438 /nfs/dbraw/zinc/80/54/38/961805438.db2.gz ZXCNCMICWXXIGN-LBPRGKRZSA-N 2 0 296.415 1.165 10 0 CDAERP CC(C)CC[N@H+](C)CCN(C)C(=O)C[NH+](C)C1CCC1 ZINC001419967130 962300075 /nfs/dbraw/zinc/30/00/75/962300075.db2.gz MZQFLZAPECBDRC-UHFFFAOYSA-N 2 0 283.460 1.907 10 0 CDAERP C[C@H]([NH2+]CCF)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001436668872 962335281 /nfs/dbraw/zinc/33/52/81/962335281.db2.gz NUUHHXZLHBFYNR-STQMWFEESA-N 2 0 273.396 1.267 10 0 CDAERP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]C/C=C\Cl ZINC001420086218 962462858 /nfs/dbraw/zinc/46/28/58/962462858.db2.gz ZSNIHPBMBUAJBU-ITZRZTJGSA-N 2 0 287.835 1.564 10 0 CDAERP CC(C)(C)CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001436878258 962467320 /nfs/dbraw/zinc/46/73/20/962467320.db2.gz OXKUKMOKEVQTJD-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]C/C=C/Cl ZINC001420106654 962476042 /nfs/dbraw/zinc/47/60/42/962476042.db2.gz PKUAITUOQMNSMH-IURQOMBCSA-N 2 0 287.835 1.708 10 0 CDAERP COC[C@@H](C)[NH2+]CC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001420219905 962595235 /nfs/dbraw/zinc/59/52/35/962595235.db2.gz DXTOLQRCORLXAD-ZIAGYGMSSA-N 2 0 299.459 1.380 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NCC[NH+](C)Cc2ccsc2)C1 ZINC001420296119 962695368 /nfs/dbraw/zinc/69/53/68/962695368.db2.gz OYUCWDYNTOHGOU-ZDUSSCGKSA-N 2 0 295.452 1.638 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CC1CC1 ZINC001420384993 962831693 /nfs/dbraw/zinc/83/16/93/962831693.db2.gz GKRAAGQNVPGTBA-OAHLLOKOSA-N 2 0 279.428 1.176 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)CCC(C)C ZINC001437570433 963021137 /nfs/dbraw/zinc/02/11/37/963021137.db2.gz OSXOVBOHNDQGNX-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CC[N@H+](CCO)CCNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001437602090 963057215 /nfs/dbraw/zinc/05/72/15/963057215.db2.gz CDJDOFUPXPQEPX-UHFFFAOYSA-N 2 0 299.459 1.070 10 0 CDAERP CC[N@H+](CCNC(=O)C[NH+]1CCCC1)C[C@@H]1CC[C@H](C)O1 ZINC001437649065 963091170 /nfs/dbraw/zinc/09/11/70/963091170.db2.gz WUKBVCFUXVTJEN-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+][C@@H](C)COC)CC1 ZINC001421005640 963411127 /nfs/dbraw/zinc/41/11/27/963411127.db2.gz MERMWEYHMTWPAP-KBPBESRZSA-N 2 0 297.443 1.134 10 0 CDAERP CC[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CC1CC1 ZINC001438321695 963418253 /nfs/dbraw/zinc/41/82/53/963418253.db2.gz IRHIZDKEACEOPJ-AWEZNQCLSA-N 2 0 281.444 1.755 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]C[C@@H](F)CC ZINC001438464085 963453385 /nfs/dbraw/zinc/45/33/85/963453385.db2.gz VRWFCOBXKRXJLI-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1C[NH+](CCC2CC2)C1 ZINC001421202863 963499838 /nfs/dbraw/zinc/49/98/38/963499838.db2.gz QWLQCRAGUSKFKD-OKILXGFUSA-N 2 0 293.455 1.707 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001421283478 963533807 /nfs/dbraw/zinc/53/38/07/963533807.db2.gz QKARGEMZRNMTNW-DOTOQJQBSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cscn1 ZINC001438829483 963561879 /nfs/dbraw/zinc/56/18/79/963561879.db2.gz MDGXHDCDXQEMQD-ZDUSSCGKSA-N 2 0 298.456 1.325 10 0 CDAERP CC[NH2+]C1(CNC(=O)CCC[NH+]2CCCC2)CCOCC1 ZINC001439966710 963905483 /nfs/dbraw/zinc/90/54/83/963905483.db2.gz HJHLRMCJRGPEKA-UHFFFAOYSA-N 2 0 297.443 1.137 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCOC(C)C)[C@@H]1C)[NH+](C)C ZINC001440489252 964082617 /nfs/dbraw/zinc/08/26/17/964082617.db2.gz LEXQEIQEQXBARO-ILXRZTDVSA-N 2 0 299.459 1.331 10 0 CDAERP CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001441316236 964459281 /nfs/dbraw/zinc/45/92/81/964459281.db2.gz UPULCTLNBKBOET-TUVASFSCSA-N 2 0 279.428 1.175 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001441415768 964504206 /nfs/dbraw/zinc/50/42/06/964504206.db2.gz NUJQUJGFEZFSOC-CRWXNKLISA-N 2 0 285.407 1.313 10 0 CDAERP Cc1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001441415616 964504706 /nfs/dbraw/zinc/50/47/06/964504706.db2.gz HJAVMVDQYOLPRD-WKILWMFISA-N 2 0 289.423 1.684 10 0 CDAERP CC(C)[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)(C)C ZINC001442155097 964893924 /nfs/dbraw/zinc/89/39/24/964893924.db2.gz ZIHQPEPOISCNQC-MCIONIFRSA-N 2 0 283.460 1.856 10 0 CDAERP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+]C/C(Cl)=C\Cl ZINC001442291265 964974795 /nfs/dbraw/zinc/97/47/95/964974795.db2.gz QWMRSNCLBOGTGP-MXBGMFSPSA-N 2 0 296.242 1.742 10 0 CDAERP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+]C/C(Cl)=C/Cl ZINC001442291269 964975387 /nfs/dbraw/zinc/97/53/87/964975387.db2.gz QWMRSNCLBOGTGP-UBYNWHESSA-N 2 0 296.242 1.742 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001442864791 965251573 /nfs/dbraw/zinc/25/15/73/965251573.db2.gz NQRUOUVZFDGBIE-HUUCEWRRSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+](CCC3CC3)C2)C1 ZINC001442890697 965262502 /nfs/dbraw/zinc/26/25/02/965262502.db2.gz MACIUDSXSPZMBX-GOEBONIOSA-N 2 0 293.455 1.566 10 0 CDAERP CC[N@@H+]1CC[C@@H](CCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001443267789 965420369 /nfs/dbraw/zinc/42/03/69/965420369.db2.gz RIIOWFRSQWDXQZ-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)CC[NH+]1CC[C@@H](F)C1 ZINC001444272390 965771370 /nfs/dbraw/zinc/77/13/70/965771370.db2.gz YZBIXDXGHCMCKD-UONOGXRCSA-N 2 0 285.407 1.221 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccc(F)cc1)NC(=O)C[NH+]1CCCC1 ZINC001445645613 966265027 /nfs/dbraw/zinc/26/50/27/966265027.db2.gz DHKQNFTWNFWTOW-ZDUSSCGKSA-N 2 0 293.386 1.516 10 0 CDAERP CCC(CC)[NH2+]CCNC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001349517308 966373112 /nfs/dbraw/zinc/37/31/12/966373112.db2.gz IKRNWKPKYLOKDW-BPLDGKMQSA-N 2 0 296.459 1.404 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001349765670 966461896 /nfs/dbraw/zinc/46/18/96/966461896.db2.gz HAKYBTLBSJDLGG-UHFFFAOYSA-N 2 0 269.433 1.707 10 0 CDAERP O=C(C[NH+]1CCCC1)NCC1([NH2+]Cc2ccsc2)CC1 ZINC001446273638 966504960 /nfs/dbraw/zinc/50/49/60/966504960.db2.gz GQZTZTNYUXTIOV-UHFFFAOYSA-N 2 0 293.436 1.582 10 0 CDAERP CC[C@H](F)C[NH2+]CC1CC(NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001447797384 966880258 /nfs/dbraw/zinc/88/02/58/966880258.db2.gz KECWPYAQJVGOMH-MOKVOYLWSA-N 2 0 299.434 1.703 10 0 CDAERP CO[C@H](C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001448272513 967054747 /nfs/dbraw/zinc/05/47/47/967054747.db2.gz XOHMGOGQOQVUAZ-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP CC[C@H](C)C[NH2+][C@@H](C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001448669927 967201362 /nfs/dbraw/zinc/20/13/62/967201362.db2.gz WSOJJOYUQDKVRK-KBPBESRZSA-N 2 0 283.460 1.953 10 0 CDAERP Cn1cc(CC[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)cn1 ZINC001354230439 968556187 /nfs/dbraw/zinc/55/61/87/968556187.db2.gz YAMPDDSONGKVGH-OLZOCXBDSA-N 2 0 250.390 1.458 10 0 CDAERP CCCN(C(=O)[C@H](C)CC[NH+](C)C)[C@@H]1CC[N@H+](C)C1 ZINC001469350900 970242560 /nfs/dbraw/zinc/24/25/60/970242560.db2.gz KTNLAUZVNNJKQJ-ZIAGYGMSSA-N 2 0 269.433 1.517 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H]([NH+]3CCC3)C2)C1 ZINC001470340981 970318766 /nfs/dbraw/zinc/31/87/66/970318766.db2.gz PVPKACQYBVYXCH-LSDHHAIUSA-N 2 0 279.428 1.413 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001361838977 970589930 /nfs/dbraw/zinc/58/99/30/970589930.db2.gz VWQZRUKFVBLKAD-INIZCTEOSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001495567668 972539464 /nfs/dbraw/zinc/53/94/64/972539464.db2.gz VJYMEOBBIQWVKW-RBSFLKMASA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001495728887 972611579 /nfs/dbraw/zinc/61/15/79/972611579.db2.gz GHGPUICACPSVFW-KKUMJFAQSA-N 2 0 283.460 1.715 10 0 CDAERP CC(C)CCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001495808327 972644460 /nfs/dbraw/zinc/64/44/60/972644460.db2.gz JNSBRVUUNDSPEW-GJZGRUSLSA-N 2 0 283.460 1.716 10 0 CDAERP C[C@H](C[NH2+]C/C=C\Cl)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001496083101 972791447 /nfs/dbraw/zinc/79/14/47/972791447.db2.gz UVZUIHDNMVHLEB-OJIASSBASA-N 2 0 287.835 1.660 10 0 CDAERP CC[C@@H](F)C[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C(C)C ZINC001496640880 973002710 /nfs/dbraw/zinc/00/27/10/973002710.db2.gz DJJJCRUQVKRLHA-KGLIPLIRSA-N 2 0 287.423 1.561 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001372540129 973006642 /nfs/dbraw/zinc/00/66/42/973006642.db2.gz DHAGFBSLBJMEEK-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP CCC[N@H+](C)CCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001496729910 973071016 /nfs/dbraw/zinc/07/10/16/973071016.db2.gz BCDGOAFLDREUNO-LSDHHAIUSA-N 2 0 281.444 1.804 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)CC[NH+]2CC[C@H](F)C2)C1 ZINC001417676152 973274373 /nfs/dbraw/zinc/27/43/73/973274373.db2.gz HGVOEVRHYQWNCB-CABCVRRESA-N 2 0 299.434 1.514 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC1CC1 ZINC001497334113 973291204 /nfs/dbraw/zinc/29/12/04/973291204.db2.gz WSJWYMJDWPSLNK-HIFRSBDPSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)[NH+](C)CC(=O)N(C)C[C@H]1CC[N@H+]1CC[C@@H](C)F ZINC001417758623 973369282 /nfs/dbraw/zinc/36/92/82/973369282.db2.gz FDTWAXDBQUYHBK-ZIAGYGMSSA-N 2 0 287.423 1.607 10 0 CDAERP CCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001569661746 1169959355 /nfs/dbraw/zinc/95/93/55/1169959355.db2.gz HVSBCBZGCKXBHA-GOEBONIOSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)CCC[NH+]1CC(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001373463138 973452750 /nfs/dbraw/zinc/45/27/50/973452750.db2.gz PPPZCZLJJBPOJO-UHFFFAOYSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC/C=C/C[NH2+]CC1CCC1 ZINC001497764663 973489732 /nfs/dbraw/zinc/48/97/32/973489732.db2.gz QAETWFPKLTWVPR-MRINAFOASA-N 2 0 293.455 1.921 10 0 CDAERP COCC[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001418027394 973537181 /nfs/dbraw/zinc/53/71/81/973537181.db2.gz ZYZFJLZBVZVYSH-HNNXBMFYSA-N 2 0 299.459 1.143 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001497828365 973542088 /nfs/dbraw/zinc/54/20/88/973542088.db2.gz XPTQFDLPBLFSMI-CYBMUJFWSA-N 2 0 267.417 1.531 10 0 CDAERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H]1CCC[N@H+](CCF)C1 ZINC001418175985 973624695 /nfs/dbraw/zinc/62/46/95/973624695.db2.gz QHULOPVEWGGKGH-KGLIPLIRSA-N 2 0 285.407 1.268 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]CC[C@H]1CCOC1)[NH+](C)C ZINC001498056133 973652180 /nfs/dbraw/zinc/65/21/80/973652180.db2.gz LTPYYAQRSPAQCU-KKUMJFAQSA-N 2 0 299.459 1.094 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CCCC1 ZINC001373828335 973657278 /nfs/dbraw/zinc/65/72/78/973657278.db2.gz CNQARTDXECTQAU-CABCVRRESA-N 2 0 281.444 1.613 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@](C)(C[NH2+]C/C=C/Cl)C1 ZINC001569680838 1169964929 /nfs/dbraw/zinc/96/49/29/1169964929.db2.gz YOIXMWRFVPJEJC-YFOKADDASA-N 2 0 299.846 1.661 10 0 CDAERP CC[NH2+]C[C@](C)(NC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001373881718 973677259 /nfs/dbraw/zinc/67/72/59/973677259.db2.gz SFAFPAFLAADECL-HOCLYGCPSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CCC(C)(C)C ZINC001418226790 973679755 /nfs/dbraw/zinc/67/97/55/973679755.db2.gz MHEWGVLDGSSSFL-UKRRQHHQSA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)[N@@H+]1CCC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001373982634 973716853 /nfs/dbraw/zinc/71/68/53/973716853.db2.gz VGJYAWREMYHLDO-UHFFFAOYSA-N 2 0 281.444 1.661 10 0 CDAERP C[C@H](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CC1CCC1 ZINC001418396007 973797583 /nfs/dbraw/zinc/79/75/83/973797583.db2.gz MXHMCNGQZUSHIS-CZUORRHYSA-N 2 0 293.455 1.613 10 0 CDAERP Cc1nc(C)c(CN(C)C[C@@H](C)NC(=O)CC[NH+](C)C)o1 ZINC001498397465 973884302 /nfs/dbraw/zinc/88/43/02/973884302.db2.gz QLYRTQFFMZPJIO-LLVKDONJSA-N 2 0 296.415 1.180 10 0 CDAERP CC(C)OCC[NH+]1CCC(C)(NC(=O)CC[NH+](C)C)CC1 ZINC001499997874 974350947 /nfs/dbraw/zinc/35/09/47/974350947.db2.gz VVERLMLYFUTVSE-UHFFFAOYSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001375462466 974392281 /nfs/dbraw/zinc/39/22/81/974392281.db2.gz XLBPHUZMEJKRGR-UONOGXRCSA-N 2 0 299.434 1.609 10 0 CDAERP CC[C@@H](C[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CCCC2)C1)OC ZINC001375856574 974497347 /nfs/dbraw/zinc/49/73/47/974497347.db2.gz URHSVGWPPRLNSO-HOCLYGCPSA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@H](C(=O)N1CC[C@](C)(C[NH2+]CC2CC2)C1)[NH+](C)C ZINC001375899488 974503609 /nfs/dbraw/zinc/50/36/09/974503609.db2.gz VMTOFGVEKKSIPO-GDBMZVCRSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H](CC[NH2+]CCC2CC2)C1 ZINC001501652114 974617425 /nfs/dbraw/zinc/61/74/25/974617425.db2.gz WZVDGNLMKOQEEA-INIZCTEOSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001376307184 974626091 /nfs/dbraw/zinc/62/60/91/974626091.db2.gz MPMPINJNKGCLIB-KFWWJZLASA-N 2 0 281.444 1.659 10 0 CDAERP O=C(N[C@H]1CC[C@H](C[NH2+]CCF)CC1)C12CC[NH+](CC1)C2 ZINC001501718499 974629920 /nfs/dbraw/zinc/62/99/20/974629920.db2.gz LKAXIZYLKUMQQV-HDJSIYSDSA-N 2 0 297.418 1.316 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC2)C1 ZINC001376467079 974668335 /nfs/dbraw/zinc/66/83/35/974668335.db2.gz ZSFVMMQXKYZIEZ-HZSPNIEDSA-N 2 0 285.407 1.313 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001376481592 974673558 /nfs/dbraw/zinc/67/35/58/974673558.db2.gz WALOKGSVXAERDH-GASCZTMLSA-N 2 0 293.386 1.514 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001376608328 974696001 /nfs/dbraw/zinc/69/60/01/974696001.db2.gz YYFQPDDZDKEMLW-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP CCCC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001502754340 974776376 /nfs/dbraw/zinc/77/63/76/974776376.db2.gz OXCTWAWZVOIYPK-ZIAGYGMSSA-N 2 0 279.428 1.319 10 0 CDAERP CC(C)OCC[NH2+][C@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001505685948 974962535 /nfs/dbraw/zinc/96/25/35/974962535.db2.gz JYGLDTFTTZGSDQ-KGLIPLIRSA-N 2 0 299.459 1.236 10 0 CDAERP C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](C)[NH2+]CCF ZINC001505694582 974966726 /nfs/dbraw/zinc/96/67/26/974966726.db2.gz PMLVZJCROTYJCB-VXGBXAGGSA-N 2 0 275.412 1.417 10 0 CDAERP CC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)CCC(C)(C)C ZINC001377360818 974986803 /nfs/dbraw/zinc/98/68/03/974986803.db2.gz NEOHBKWOKYVZNS-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]1CC[N@H+](CCOC(C)C)C1)[NH+](C)C ZINC001377444166 975030526 /nfs/dbraw/zinc/03/05/26/975030526.db2.gz HNQSLDATYYPNMG-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@H]([NH2+]CCN(C)C(=O)CC[NH+](C)C)c1ccccc1 ZINC001377585977 975082087 /nfs/dbraw/zinc/08/20/87/975082087.db2.gz AGHWWYAQYFHOGJ-AWEZNQCLSA-N 2 0 277.412 1.747 10 0 CDAERP CC(C)COCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001506056095 975103379 /nfs/dbraw/zinc/10/33/79/975103379.db2.gz AHWQEBWUPNLBIL-HUUCEWRRSA-N 2 0 299.459 1.047 10 0 CDAERP CO[C@@H](C)C[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)C(C)C ZINC001377669943 975106164 /nfs/dbraw/zinc/10/61/64/975106164.db2.gz DHFCLOHLPSPHJP-GJZGRUSLSA-N 2 0 299.459 1.284 10 0 CDAERP CCCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001377672198 975107291 /nfs/dbraw/zinc/10/72/91/975107291.db2.gz FENGBMMZFNXBJU-HOTGVXAUSA-N 2 0 295.471 1.907 10 0 CDAERP C[C@@H]([NH2+]CC1CCCC1)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001377908072 975171523 /nfs/dbraw/zinc/17/15/23/975171523.db2.gz LPRJYCKTEDZPJA-KGLIPLIRSA-N 2 0 281.444 1.755 10 0 CDAERP COCCCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001506747496 975213475 /nfs/dbraw/zinc/21/34/75/975213475.db2.gz GPXYKJMVLWUOMJ-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)C(C)(C)C1 ZINC001506751169 975216521 /nfs/dbraw/zinc/21/65/21/975216521.db2.gz RSELDXRHLSCHOO-CYBMUJFWSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]CC[C@H]1CCOC1 ZINC001507163738 975359070 /nfs/dbraw/zinc/35/90/70/975359070.db2.gz VQDCOQHRJCRALK-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP CC[NH2+][C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC001404398641 975380991 /nfs/dbraw/zinc/38/09/91/975380991.db2.gz VIPCXRKKXRKOBB-ZBFHGGJFSA-N 2 0 289.423 1.795 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NCC[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC001404521846 975413238 /nfs/dbraw/zinc/41/32/38/975413238.db2.gz WGTGCTXETGUANU-HUUCEWRRSA-N 2 0 279.428 1.176 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NCC[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC001404521844 975414247 /nfs/dbraw/zinc/41/42/47/975414247.db2.gz WGTGCTXETGUANU-GJZGRUSLSA-N 2 0 279.428 1.176 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC2CCC2)C[C@H]1C ZINC001507339945 975423602 /nfs/dbraw/zinc/42/36/02/975423602.db2.gz OMHVIPRUPDUKJG-UKRRQHHQSA-N 2 0 281.444 1.706 10 0 CDAERP CC[C@@H](F)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001378893477 975531568 /nfs/dbraw/zinc/53/15/68/975531568.db2.gz DYOZDTWTYQYHNM-HIFRSBDPSA-N 2 0 299.434 1.752 10 0 CDAERP CCC(CC)C[NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001401254503 975550560 /nfs/dbraw/zinc/55/05/60/975550560.db2.gz DUPVWRYBKHKQKO-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H]([NH2+]C(C)C)C(C)C)CC[N@@H+]1C ZINC001378971684 975569534 /nfs/dbraw/zinc/56/95/34/975569534.db2.gz QJWZRLHFQCFPKZ-RRFJBIMHSA-N 2 0 283.460 1.856 10 0 CDAERP CC(C)[N@H+]1CC=C(CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001508223573 975642072 /nfs/dbraw/zinc/64/20/72/975642072.db2.gz UHJODQLKQNNSIQ-UHFFFAOYSA-N 2 0 293.455 1.875 10 0 CDAERP CC(C)(C(=O)NC[C@H]1C[C@H]([NH2+]CC2CC2)C1)[NH+]1CCCC1 ZINC001397666935 975673637 /nfs/dbraw/zinc/67/36/37/975673637.db2.gz QDMJDXTYAQCRJJ-SHTZXODSSA-N 2 0 293.455 1.755 10 0 CDAERP CC(C)(C(=O)NC[C@H]1C[C@H]([NH2+]CCF)C1)[NH+]1CCCC1 ZINC001397675160 975674599 /nfs/dbraw/zinc/67/45/99/975674599.db2.gz YQPNZWXZDNXENW-JOCQHMNTSA-N 2 0 285.407 1.315 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@@]12CC[N@H+](C1)CCC2)[NH2+]CC1CC1 ZINC001379306888 975754024 /nfs/dbraw/zinc/75/40/24/975754024.db2.gz BLGSKIGGWMVZAJ-BBRMVZONSA-N 2 0 279.428 1.319 10 0 CDAERP COC[C@@H](C)[NH2+]CC[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001405478855 975755266 /nfs/dbraw/zinc/75/52/66/975755266.db2.gz IIFVCMGAXXNVNP-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP C[C@H](C[NH2+]CC1CC1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001379383828 975812577 /nfs/dbraw/zinc/81/25/77/975812577.db2.gz QQBZEVIGOXBIBD-CZUORRHYSA-N 2 0 293.455 1.898 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001379435012 975842529 /nfs/dbraw/zinc/84/25/29/975842529.db2.gz ROYPPLBRRAVORX-HUUCEWRRSA-N 2 0 283.460 2.000 10 0 CDAERP Cc1cc(C[NH2+]C[C@@H](C)NC(=O)C[NH+]2CCCC2)sn1 ZINC001379469731 975859184 /nfs/dbraw/zinc/85/91/84/975859184.db2.gz OXBIRIZNCASQRW-GFCCVEGCSA-N 2 0 296.440 1.142 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CCN(Cc2ccsc2)C1)[NH+](C)C ZINC001389502354 975873572 /nfs/dbraw/zinc/87/35/72/975873572.db2.gz FGZFBGNCYAWIHS-UONOGXRCSA-N 2 0 295.452 1.779 10 0 CDAERP Cc1cncc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001379489370 975875428 /nfs/dbraw/zinc/87/54/28/975875428.db2.gz GUPIRBQQNBKJRE-ZFWWWQNUSA-N 2 0 290.411 1.079 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001398327551 975944952 /nfs/dbraw/zinc/94/49/52/975944952.db2.gz GPVMLXYGUDDQLJ-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001401853414 975953097 /nfs/dbraw/zinc/95/30/97/975953097.db2.gz WGKHHZLGXJACCI-QEJZJMRPSA-N 2 0 281.444 1.610 10 0 CDAERP CO[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001398600525 976065721 /nfs/dbraw/zinc/06/57/21/976065721.db2.gz BAAUHEHRQWQOBN-KBXIAJHMSA-N 2 0 297.443 1.131 10 0 CDAERP CN(CC[N@H+](C)CC1CC1)C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001406160012 976072512 /nfs/dbraw/zinc/07/25/12/976072512.db2.gz UYMGWTUZOXKOLT-INIZCTEOSA-N 2 0 279.428 1.273 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+](CCCF)C1 ZINC001398694749 976110105 /nfs/dbraw/zinc/11/01/05/976110105.db2.gz PGFXSPGHDPTVHE-CYBMUJFWSA-N 2 0 273.396 1.126 10 0 CDAERP CC(C)[NH2+]C[C@@H](C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001406400864 976164819 /nfs/dbraw/zinc/16/48/19/976164819.db2.gz OZLLNTWBXLGFQT-DOMZBBRYSA-N 2 0 287.423 1.702 10 0 CDAERP COC[C@H](C)[NH+]1CCC([C@@H](C)NC(=O)CC[NH+](C)C)CC1 ZINC001380135865 976257402 /nfs/dbraw/zinc/25/74/02/976257402.db2.gz ZHMJZCHVRKOIGY-UONOGXRCSA-N 2 0 299.459 1.190 10 0 CDAERP CCC[NH+]1CCC([C@@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001380135750 976258518 /nfs/dbraw/zinc/25/85/18/976258518.db2.gz YFJBGPICDLBXMI-LSDHHAIUSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]CC2CCC2)CC[N@@H+]1C ZINC001390384226 976271202 /nfs/dbraw/zinc/27/12/02/976271202.db2.gz ZCTKQUHSXNYFCM-AEGPPILISA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]Cc2ccsc2)CC1 ZINC001380173363 976276631 /nfs/dbraw/zinc/27/66/31/976276631.db2.gz WYRMCQLUFIUZOG-UHFFFAOYSA-N 2 0 295.452 1.827 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)C[NH+](C)CC2CC2)C1 ZINC001406644619 976326760 /nfs/dbraw/zinc/32/67/60/976326760.db2.gz HEEGCOFPADFEOO-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)CC[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001406661034 976341983 /nfs/dbraw/zinc/34/19/83/976341983.db2.gz GEUVNPKBKIBUPG-CABCVRRESA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001390596154 976383903 /nfs/dbraw/zinc/38/39/03/976383903.db2.gz PACPNGLTJNHOOP-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC[C@@H]2CCCO2)C1)[NH+](C)C ZINC001402596947 976386073 /nfs/dbraw/zinc/38/60/73/976386073.db2.gz URSNDMXIXHABOL-LJISPDSOSA-N 2 0 297.443 1.133 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]C[C@H](F)CC)C1 ZINC001399228451 976386947 /nfs/dbraw/zinc/38/69/47/976386947.db2.gz JMYMHKLFCCBQOE-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP CO[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001402648505 976421550 /nfs/dbraw/zinc/42/15/50/976421550.db2.gz ZFVKJUUGVYLKBY-KFWWJZLASA-N 2 0 297.443 1.134 10 0 CDAERP CC[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1cncs1)[NH+](C)C ZINC001390670546 976427724 /nfs/dbraw/zinc/42/77/24/976427724.db2.gz HJBJFBYNGNQEQF-WCQYABFASA-N 2 0 298.456 1.468 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001402660844 976429216 /nfs/dbraw/zinc/42/92/16/976429216.db2.gz KVTKOVFLGSQXFV-GJZGRUSLSA-N 2 0 283.460 1.765 10 0 CDAERP C[C@@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC1CCC1 ZINC001390711697 976448698 /nfs/dbraw/zinc/44/86/98/976448698.db2.gz GFXRYRLKCBCXPQ-ZDUSSCGKSA-N 2 0 279.428 1.367 10 0 CDAERP CO[C@@H](C)C[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001406939655 976487606 /nfs/dbraw/zinc/48/76/06/976487606.db2.gz USCSGDHMCYMONB-UONOGXRCSA-N 2 0 297.443 1.134 10 0 CDAERP C[NH+](C)CCC(=O)N1CCCC[C@@H]1[C@H]1CC[N@H+](CCF)C1 ZINC001406998510 976508231 /nfs/dbraw/zinc/50/82/31/976508231.db2.gz JARIIVLIZFHHTL-LSDHHAIUSA-N 2 0 299.434 1.611 10 0 CDAERP C[NH+](C)CCC(=O)NCC[N@H+](C[C@@H]1CCCCO1)C1CC1 ZINC001391174552 976745994 /nfs/dbraw/zinc/74/59/94/976745994.db2.gz KCQCGEFHMQKWLS-HNNXBMFYSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)C[N@H+](C)C[C@H]1CCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001381290935 976747208 /nfs/dbraw/zinc/74/72/08/976747208.db2.gz LTNQRLOZTGWSOT-HZPDHXFCSA-N 2 0 295.471 1.907 10 0 CDAERP CC[C@H](C(=O)NCC[C@H]1CC[N@H+](CC2CC2)C1)[NH+](C)C ZINC001391332417 976821437 /nfs/dbraw/zinc/82/14/37/976821437.db2.gz BQIMWNVVVNLBNF-LSDHHAIUSA-N 2 0 281.444 1.565 10 0 CDAERP CC[N@H+](CCNC(=O)CC[C@@H]1CCC[NH+]1C)C(C)C ZINC001492971798 976848644 /nfs/dbraw/zinc/84/86/44/976848644.db2.gz JNTVMCGQTAMQLC-AWEZNQCLSA-N 2 0 269.433 1.707 10 0 CDAERP C[C@@H](NC(=O)C[NH+]1CCCC1)C1C[NH+](CCC(C)(C)C)C1 ZINC001403351449 976901804 /nfs/dbraw/zinc/90/18/04/976901804.db2.gz WZHBSRPQUNOXFW-CQSZACIVSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](F)CC[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001400227229 976937308 /nfs/dbraw/zinc/93/73/08/976937308.db2.gz FFUUPVIBEPBOBA-CABCVRRESA-N 2 0 299.434 1.611 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1CCC[N@H+](CCC[C@H](C)O)C1)[NH+](C)C ZINC001400278609 976963010 /nfs/dbraw/zinc/96/30/10/976963010.db2.gz BRZSPMXUZQJYAY-RRFJBIMHSA-N 2 0 299.459 1.068 10 0 CDAERP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CC[C@H]1CCCCO1 ZINC001403590926 977088532 /nfs/dbraw/zinc/08/85/32/977088532.db2.gz AWOSHLOVNLCNEA-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+]Cc1cncs1 ZINC001403622945 977109926 /nfs/dbraw/zinc/10/99/26/977109926.db2.gz FDWJXQOAFZONQP-LBPRGKRZSA-N 2 0 298.456 1.421 10 0 CDAERP Cc1ncoc1C[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001403729588 977164373 /nfs/dbraw/zinc/16/43/73/977164373.db2.gz AHYRDUTWOXYUNN-YPMHNXCESA-N 2 0 294.399 1.014 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CCCCC1 ZINC001382163626 977195941 /nfs/dbraw/zinc/19/59/41/977195941.db2.gz QBZLITSBFAOFOX-GOEBONIOSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001403921573 977262947 /nfs/dbraw/zinc/26/29/47/977262947.db2.gz WSYRSZCNCVJNFH-OAHLLOKOSA-N 2 0 299.459 1.024 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]C[C@H](C)OC)C(C)(C)C1 ZINC001382374352 977267020 /nfs/dbraw/zinc/26/70/20/977267020.db2.gz BXBRYOUWAOXAPK-KBPBESRZSA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@H](F)C[N@@H+]1CCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001404020717 977309776 /nfs/dbraw/zinc/30/97/76/977309776.db2.gz WTRBMFMUASKQJM-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC[NH+](CCCF)C1 ZINC001404099556 977335748 /nfs/dbraw/zinc/33/57/48/977335748.db2.gz IDIKIPWYKKHGGC-ZDUSSCGKSA-N 2 0 273.396 1.124 10 0 CDAERP CC[C@H](C(=O)N(C)CC[N@H+](C)CCC(C)C)[NH+](C)C ZINC001392318006 977408094 /nfs/dbraw/zinc/40/80/94/977408094.db2.gz DZKAIZPJSABFJQ-CQSZACIVSA-N 2 0 271.449 1.763 10 0 CDAERP C[N@H+](CC(=O)N[C@]1(C)CC[NH+](CCC2CC2)C1)C1CCC1 ZINC001393114134 977707352 /nfs/dbraw/zinc/70/73/52/977707352.db2.gz WKLZWRAGJQHPBI-QGZVFWFLSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@@H](F)CC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001393565626 977837377 /nfs/dbraw/zinc/83/73/77/977837377.db2.gz HIFOJQXQDIUSOD-KGLIPLIRSA-N 2 0 299.434 1.705 10 0 CDAERP CC[C@@H](C)C[NH+]1CC([C@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001394244416 978115979 /nfs/dbraw/zinc/11/59/79/978115979.db2.gz BOHPLDKFEVRSKJ-KGLIPLIRSA-N 2 0 283.460 1.811 10 0 CDAERP CO[C@H](C)C[N@H+](C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001394400688 978151667 /nfs/dbraw/zinc/15/16/67/978151667.db2.gz REXPYRJYKBXOSM-CQSZACIVSA-N 2 0 297.443 1.040 10 0 CDAERP CC[N@@H+]1CC[C@@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001394691327 978231277 /nfs/dbraw/zinc/23/12/77/978231277.db2.gz MPTJYXVQLHLDKO-CJNGLKHVSA-N 2 0 279.428 1.461 10 0 CDAERP CC1CC[NH+](CC(=O)N[C@H]2C[C@H](C[NH2+]CCF)C2)CC1 ZINC001675808701 1174151493 /nfs/dbraw/zinc/15/14/93/1174151493.db2.gz YJYCFRHOIKZCRJ-HDJSIYSDSA-N 2 0 285.407 1.172 10 0 CDAERP C[C@@H](CN(C)C(=O)C[NH+]1CCC(C)CC1)[NH2+]CCCF ZINC001676447574 1174226899 /nfs/dbraw/zinc/22/68/99/1174226899.db2.gz KUSCNRFUDCOPKZ-AWEZNQCLSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000585754217 342454885 /nfs/dbraw/zinc/45/48/85/342454885.db2.gz XUHCARIGZMVAHN-LBPRGKRZSA-N 2 0 281.444 1.754 10 0 CDAERP C[NH+](C)CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000122454425 282085460 /nfs/dbraw/zinc/08/54/60/282085460.db2.gz XNBKMKLZCSURPX-ZNMIVQPWSA-N 2 0 254.418 1.954 10 0 CDAERP Cn1cc(C[NH2+]CCC2(C[NH3+])CC2)c(-c2cccnc2)n1 ZINC000650712385 398154748 /nfs/dbraw/zinc/15/47/48/398154748.db2.gz BUXLTTNAJLNAAY-UHFFFAOYSA-N 2 0 285.395 1.701 10 0 CDAERP Cc1nn2c(C[NH2+]CCC3(C[NH3+])CC3)c(C)nc2s1 ZINC000650712535 398155427 /nfs/dbraw/zinc/15/54/27/398155427.db2.gz IMXWJKJFAZNXBL-UHFFFAOYSA-N 2 0 279.413 1.626 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC2(C[NH3+])CC2)[C@H](C)C1 ZINC000650743925 398172715 /nfs/dbraw/zinc/17/27/15/398172715.db2.gz BOCDEEKHNATFBW-CVEARBPZSA-N 3 0 297.487 1.842 10 0 CDAERP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)C(C)(C)n1cncn1 ZINC000650746898 398173805 /nfs/dbraw/zinc/17/38/05/398173805.db2.gz NFYAPYMLOXROGI-LLVKDONJSA-N 2 0 251.378 1.120 10 0 CDAERP CC(C)C[C@@H]([NH3+])C[NH2+][C@H]1CCCc2c1ccc(=O)n2C ZINC000650725012 398163261 /nfs/dbraw/zinc/16/32/61/398163261.db2.gz RDKXSWMFHGWNHY-OCCSQVGLSA-N 2 0 277.412 1.726 10 0 CDAERP C[C@H]1C[C@H](NC(=O)c2ccccc2CC[NH3+])CC[N@@H+]1C ZINC000157822129 342072525 /nfs/dbraw/zinc/07/25/25/342072525.db2.gz GKWCBXQDRMMGMB-GXTWGEPZSA-N 2 0 275.396 1.400 10 0 CDAERP CC[C@@H]1CN(c2cc[nH+]c(C)c2)CC[N@@H+]1CCOC ZINC000274348253 365631176 /nfs/dbraw/zinc/63/11/76/365631176.db2.gz JXTHWNYCDRXYQX-CQSZACIVSA-N 2 0 263.385 1.937 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CC1 ZINC000617008202 342605118 /nfs/dbraw/zinc/60/51/18/342605118.db2.gz DJGTVKDMURXAJC-ZIAGYGMSSA-N 2 0 279.428 1.602 10 0 CDAERP CS[C@@H]1CC[C@H]1[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000591836916 342648337 /nfs/dbraw/zinc/64/83/37/342648337.db2.gz RHMWHYIAHNEQTG-BPLDGKMQSA-N 2 0 283.485 1.639 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)N2CCCC[C@H]2c2ncc[nH]2)C1 ZINC000592503319 342705986 /nfs/dbraw/zinc/70/59/86/342705986.db2.gz AZWNFNSYSWOJBH-STQMWFEESA-N 2 0 291.399 1.741 10 0 CDAERP [NH3+][C@@]12CCC[C@H]1CN(C(=O)C1([NH2+]C3CC3)CCC1)C2 ZINC000621700822 342165111 /nfs/dbraw/zinc/16/51/11/342165111.db2.gz XLEADDMLDAJHMS-SMDDNHRTSA-N 2 0 263.385 1.001 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CC1(N(C)C)CCCC1 ZINC000234779843 293095336 /nfs/dbraw/zinc/09/53/36/293095336.db2.gz AVBXKSJTBNWPGK-ZDUSSCGKSA-N 2 0 257.422 1.204 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)CCc1ccccc1F ZINC000629405902 361943948 /nfs/dbraw/zinc/94/39/48/361943948.db2.gz XHPTYQGLXPLIEG-ZDUSSCGKSA-N 2 0 268.376 1.972 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]CCOCCC[NH3+])CN1Cc1ccccc1 ZINC000629401595 361940853 /nfs/dbraw/zinc/94/08/53/361940853.db2.gz TXPBHHNJKONYMG-DOTOQJQBSA-N 2 0 291.439 1.604 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1ccc(C(=O)OC)cc1 ZINC000600728314 342245424 /nfs/dbraw/zinc/24/54/24/342245424.db2.gz OUKVFVAFMOWGKJ-UHFFFAOYSA-N 2 0 280.368 1.141 10 0 CDAERP CCOC(=O)[C@@H](CC)[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000600753316 342248216 /nfs/dbraw/zinc/24/82/16/342248216.db2.gz BEZXTVBEYFEXRO-HUUCEWRRSA-N 2 0 298.427 1.419 10 0 CDAERP COC(=O)C(C)(C)CC[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594616353 342928329 /nfs/dbraw/zinc/92/83/29/342928329.db2.gz YIXDHYWVKNZZNJ-TXEJJXNPSA-N 2 0 256.390 1.506 10 0 CDAERP CC[NH+]1CCC(NC(=O)OC(C)(C)C)(C(N)=[NH2+])CC1 ZINC000685946813 539116328 /nfs/dbraw/zinc/11/63/28/539116328.db2.gz CEFBHTJNSFOUTL-UHFFFAOYSA-N 2 0 270.377 1.302 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000619363925 349679959 /nfs/dbraw/zinc/67/99/59/349679959.db2.gz CHBSTVQCMLNLRJ-QLFBSQMISA-N 2 0 296.459 1.500 10 0 CDAERP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000594921856 342987480 /nfs/dbraw/zinc/98/74/80/342987480.db2.gz UTPQRXOYNPFZDI-QLFBSQMISA-N 2 0 282.428 1.896 10 0 CDAERP C[C@H](CSCCF)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000595014518 343001093 /nfs/dbraw/zinc/00/10/93/343001093.db2.gz WJDZLHCOPJZELD-CQSZACIVSA-N 2 0 291.480 1.695 10 0 CDAERP CCOC(=O)C12CC(C1)CN2CCCc1cncn1C ZINC000595864702 343175255 /nfs/dbraw/zinc/17/52/55/343175255.db2.gz WAZHARRHWMCJCZ-UHFFFAOYSA-N 2 0 277.368 1.380 10 0 CDAERP CCOC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595901256 343187284 /nfs/dbraw/zinc/18/72/84/343187284.db2.gz UAAHYNULZLDBRE-OCCSQVGLSA-N 2 0 268.401 1.650 10 0 CDAERP C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)OC1CCOCC1 ZINC000629516921 362132994 /nfs/dbraw/zinc/13/29/94/362132994.db2.gz UNPSTMKFVABTEV-GOEBONIOSA-N 2 0 282.428 1.646 10 0 CDAERP CC(C)O[C@H]1C[C@@H]([NH2+]CC2([NH3+])CCOCC2)C1(C)C ZINC000629524106 362145323 /nfs/dbraw/zinc/14/53/23/362145323.db2.gz LMVRRKSSWBYPNV-OLZOCXBDSA-N 2 0 270.417 1.676 10 0 CDAERP CC(C)CO[C@@H]1C[C@H]([NH2+]CC2([NH3+])CCOCC2)C1(C)C ZINC000629524113 362145679 /nfs/dbraw/zinc/14/56/79/362145679.db2.gz LPQJILBEVQMQAB-UONOGXRCSA-N 2 0 284.444 1.924 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000629528845 362155300 /nfs/dbraw/zinc/15/53/00/362155300.db2.gz KXDQAMQZDKKJHW-LBPRGKRZSA-N 2 0 252.358 1.582 10 0 CDAERP C[C@H]1C[NH2+]CCN1C1CC[NH+](Cc2ccccc2)CC1 ZINC000083539441 178568044 /nfs/dbraw/zinc/56/80/44/178568044.db2.gz FWHCERAQNVHLIF-HNNXBMFYSA-N 2 0 273.424 1.945 10 0 CDAERP Cc1cc(C)n2c(CN3CC[C@@H]([NH3+])C[C@H]3C)cnc2n1 ZINC000574998939 362313823 /nfs/dbraw/zinc/31/38/23/362313823.db2.gz COAHTXLCIUHLHB-DGCLKSJQSA-N 2 0 273.384 1.658 10 0 CDAERP CN(CC[N@H+](C)C1CC1)c1nc(N)[nH+]c2c1CCCC2 ZINC000645213122 362424772 /nfs/dbraw/zinc/42/47/72/362424772.db2.gz FHLIJGDFJKWHJB-UHFFFAOYSA-N 2 0 275.400 1.298 10 0 CDAERP COC1(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CCOCC1 ZINC000623469827 347080177 /nfs/dbraw/zinc/08/01/77/347080177.db2.gz SKIAARMXAKAROX-ZDUSSCGKSA-N 2 0 270.417 1.644 10 0 CDAERP CC(C)[NH+]1CCC(N(C)C(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC000079516915 362659969 /nfs/dbraw/zinc/65/99/69/362659969.db2.gz UUMGSZZCRWUSMC-HNNXBMFYSA-N 2 0 267.417 1.460 10 0 CDAERP CCN(C(=O)[C@H]1CCn2c(C)ncc2C1)[C@H]1CC[N@H+](C)C1 ZINC000617550508 345841782 /nfs/dbraw/zinc/84/17/82/345841782.db2.gz VVXZYIBBOFZPJC-KBPBESRZSA-N 2 0 290.411 1.307 10 0 CDAERP COCCOCCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623344059 346071476 /nfs/dbraw/zinc/07/14/76/346071476.db2.gz VUEJOIWMBDHVCK-CYBMUJFWSA-N 2 0 258.406 1.502 10 0 CDAERP C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)[C@H](C)N1CCOCC1 ZINC000623406382 346208896 /nfs/dbraw/zinc/20/88/96/346208896.db2.gz WQCROMUKJRHDAH-KKUMJFAQSA-N 2 0 283.460 1.558 10 0 CDAERP [NH3+]C[C@@](O)(C[N@@H+]1CCCc2ccccc2C1)C1CC1 ZINC000085302877 179011310 /nfs/dbraw/zinc/01/13/10/179011310.db2.gz UYRIDHXKOLGCBZ-MRXNPFEDSA-N 2 0 260.381 1.535 10 0 CDAERP CC[C@H](C(=O)N(C)CCC[NH+](C)C)[NH+](CC)CC ZINC000539416739 282455952 /nfs/dbraw/zinc/45/59/52/282455952.db2.gz RZODHGFJXAVEBK-CYBMUJFWSA-N 2 0 257.422 1.517 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)[C@H]1CCCC[C@@H]1[NH3+])c1ccccc1 ZINC000085370699 179040894 /nfs/dbraw/zinc/04/08/94/179040894.db2.gz UAMWPBZUWPNUAY-HRCADAONSA-N 2 0 289.423 1.923 10 0 CDAERP CC(C)[C@H](CNC(=O)[C@H]1CCC[C@@H]1[NH3+])[NH+]1CCCC1 ZINC000085371114 179041248 /nfs/dbraw/zinc/04/12/48/179041248.db2.gz FFOPROCXMCJGLT-IHRRRGAJSA-N 2 0 267.417 1.350 10 0 CDAERP O=C(CC[NH2+]C1CC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000037826203 346368697 /nfs/dbraw/zinc/36/86/97/346368697.db2.gz XXGRPNDCHZLZFR-UHFFFAOYSA-N 2 0 279.428 1.463 10 0 CDAERP CN(CCC(=O)N[C@@H]1CCc2[nH]cnc2C1)c1cc[nH+]cc1 ZINC000584739171 346418183 /nfs/dbraw/zinc/41/81/83/346418183.db2.gz VHVOJMNQLMFTSI-GFCCVEGCSA-N 2 0 299.378 1.305 10 0 CDAERP CC[N@H+](C)CCn1c2c(nc1C(F)(F)F)C[NH2+]CC2 ZINC000085571011 179095871 /nfs/dbraw/zinc/09/58/71/179095871.db2.gz PKEHHVUFAIODDX-UHFFFAOYSA-N 2 0 276.306 1.499 10 0 CDAERP C(C[NH+]1CCCCC1)n1c2c(nc1C1CC1)C[NH2+]CC2 ZINC000085572726 179097261 /nfs/dbraw/zinc/09/72/61/179097261.db2.gz GJWRSTWFEYRFIY-UHFFFAOYSA-N 2 0 274.412 1.892 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N[C@@]2(C)CC[NH2+]C2)CC1 ZINC000612874708 347311971 /nfs/dbraw/zinc/31/19/71/347311971.db2.gz HIUUYTJKTZNFNB-HNNXBMFYSA-N 2 0 282.432 1.160 10 0 CDAERP CCC1(CC)CN(C[C@H]2CCCC[N@@H+]2C)CC[NH2+]1 ZINC000086145838 179238615 /nfs/dbraw/zinc/23/86/15/179238615.db2.gz AJDMPHIRVFRPAL-CQSZACIVSA-N 2 0 253.434 1.935 10 0 CDAERP C[C@@H]1C[NH2+][C@](C)(C2CC2)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223098 179250661 /nfs/dbraw/zinc/25/06/61/179250661.db2.gz MPUIKUPRGZPURD-NFAWXSAZSA-N 2 0 251.418 1.401 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3cncn3)cc2)CC[N@@H+]1C ZINC000174516448 365894302 /nfs/dbraw/zinc/89/43/02/365894302.db2.gz RYZACCLNXGPRFQ-UKRRQHHQSA-N 2 0 285.395 1.840 10 0 CDAERP C[C@H](CC[NH2+][C@@H](C)C1CC[NH+](C)CC1)[S@](C)=O ZINC000090517380 347742732 /nfs/dbraw/zinc/74/27/32/347742732.db2.gz WNAUIPNZVKQAEA-BWACUDIHSA-N 2 0 260.447 1.463 10 0 CDAERP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC/C=C/C[NH3+] ZINC000641860088 365945142 /nfs/dbraw/zinc/94/51/42/365945142.db2.gz FKPSEEOCMMHTHF-IHVVCDCBSA-N 2 0 268.405 1.017 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1C ZINC000631468858 362944112 /nfs/dbraw/zinc/94/41/12/362944112.db2.gz NVXZSFUWFRAWPX-ZQDZILKHSA-N 2 0 281.444 1.658 10 0 CDAERP C[C@H]([NH2+][C@H]1CCCN(CCCO)C1)[C@H]1CCCCO1 ZINC000623991204 349383046 /nfs/dbraw/zinc/38/30/46/349383046.db2.gz ABNHDUIVVGFUQB-SOUVJXGZSA-N 2 0 270.417 1.380 10 0 CDAERP C[C@@H]([NH2+]CCOCCC[NH3+])c1cccc(F)c1F ZINC000629541470 362964729 /nfs/dbraw/zinc/96/47/29/362964729.db2.gz ZZHYRYPOYHHLIN-SNVBAGLBSA-N 2 0 258.312 1.981 10 0 CDAERP COc1ccc([C@@H](C)[NH2+]CCOCCC[NH3+])c(OC)c1 ZINC000629542076 362966375 /nfs/dbraw/zinc/96/63/75/362966375.db2.gz XWCBXXUILUKARH-GFCCVEGCSA-N 2 0 282.384 1.720 10 0 CDAERP Cn1c2cc(C[NH2+][C@@H]3CCC[C@H]3C[NH3+])ccc2oc1=O ZINC000629548224 362974683 /nfs/dbraw/zinc/97/46/83/362974683.db2.gz MOHMFCRDDFKEAE-NWDGAFQWSA-N 2 0 275.352 1.349 10 0 CDAERP CC(C)[C@H]1CN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CC[NH2+]1 ZINC000622187469 351061085 /nfs/dbraw/zinc/06/10/85/351061085.db2.gz RNPUHYDUPMKQSV-HUUCEWRRSA-N 2 0 281.444 1.707 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1sc(C)nc1C ZINC000629570501 363017619 /nfs/dbraw/zinc/01/76/19/363017619.db2.gz LOHYPWCOFYSZBJ-UHFFFAOYSA-N 2 0 257.403 1.428 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)CCO[C@H]1CCCC[C@@H]1C ZINC000629571262 363019508 /nfs/dbraw/zinc/01/95/08/363019508.db2.gz KBVDHIHFJNDPPZ-GJZGRUSLSA-N 2 0 272.433 1.750 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000569739824 363020522 /nfs/dbraw/zinc/02/05/22/363020522.db2.gz JVUOYUXSDMNGAH-RBSFLKMASA-N 2 0 279.428 1.271 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000333547093 363023989 /nfs/dbraw/zinc/02/39/89/363023989.db2.gz JWKPJNDFJGTROG-VAQLIOGMSA-N 2 0 294.443 1.299 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000629571640 363026132 /nfs/dbraw/zinc/02/61/32/363026132.db2.gz OKALRMMEORMEKS-UHFFFAOYSA-N 2 0 258.312 1.633 10 0 CDAERP C[C@H](NC(=O)N[C@H]1CCCC[NH2+]C1)C1=CC[N@H+](C)CC1 ZINC000333551871 363026626 /nfs/dbraw/zinc/02/66/26/363026626.db2.gz KHOHSQMDJPSXOX-JSGCOSHPSA-N 2 0 280.416 1.078 10 0 CDAERP CCc1ccc(C[N@H+](C)CCOCC[NH2+]C)cc1 ZINC000629571812 363027637 /nfs/dbraw/zinc/02/76/37/363027637.db2.gz RDBLSIRCIVPUBP-UHFFFAOYSA-N 2 0 250.386 1.917 10 0 CDAERP CCOCCC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000629590718 363082158 /nfs/dbraw/zinc/08/21/58/363082158.db2.gz JFSCKQXWPAXJNZ-OAHLLOKOSA-N 2 0 270.417 1.504 10 0 CDAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCC[NH2+]C1CCCCCC1 ZINC000418447438 290938032 /nfs/dbraw/zinc/93/80/32/290938032.db2.gz PPOQRUGHAYNARS-ZFWWWQNUSA-N 2 0 296.459 1.596 10 0 CDAERP c1nc2n(n1)[C@H](C[N@H+]1CC[C@@H](C[NH+]3CCCC3)C1)CC2 ZINC000639497207 363222825 /nfs/dbraw/zinc/22/28/25/363222825.db2.gz ZXNARMDIUHIXHM-KBPBESRZSA-N 2 0 275.400 1.183 10 0 CDAERP COC[C@H](C)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629655814 363259746 /nfs/dbraw/zinc/25/97/46/363259746.db2.gz YVWPLYKMWVJOLI-GMTAPVOTSA-N 2 0 268.323 1.728 10 0 CDAERP COc1ccccc1/C=C\C[N@H+](C)CCOCC[NH3+] ZINC000629665546 363304591 /nfs/dbraw/zinc/30/45/91/363304591.db2.gz WRZOSYCGXANGEW-ALCCZGGFSA-N 2 0 264.369 1.616 10 0 CDAERP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)[C@@H]1C ZINC000644537281 366155677 /nfs/dbraw/zinc/15/56/77/366155677.db2.gz YMRKPOAHXFTXSQ-NYTXWWLZSA-N 2 0 265.445 1.789 10 0 CDAERP CN1CCC[C@@H]([NH2+]C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000644548286 366166111 /nfs/dbraw/zinc/16/61/11/366166111.db2.gz ZKHZACPZTUJQDZ-HUUCEWRRSA-N 2 0 282.815 1.927 10 0 CDAERP CC(C)C[C@H](C[NH3+])CNc1ccnn1C1C[NH2+]C1 ZINC000725258765 538453145 /nfs/dbraw/zinc/45/31/45/538453145.db2.gz ZIRLWPFFHBPEQE-LLVKDONJSA-N 2 0 251.378 1.060 10 0 CDAERP O=C(C[C@@H]1CCC[NH2+]1)NCc1cccnc1-n1ccnc1 ZINC000164803530 363506529 /nfs/dbraw/zinc/50/65/29/363506529.db2.gz TULQCPMHXPJOND-ZDUSSCGKSA-N 2 0 285.351 1.026 10 0 CDAERP O=C(c1ccc2c(c1)CC[NH2+]CC2)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000336416629 363527751 /nfs/dbraw/zinc/52/77/51/363527751.db2.gz RRZFRRKBRTYXRT-QGZVFWFLSA-N 2 0 299.418 1.341 10 0 CDAERP O=C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)N1CCCC1 ZINC000047971453 357169638 /nfs/dbraw/zinc/16/96/38/357169638.db2.gz PBWCYTPOOCFNCM-UHFFFAOYSA-N 2 0 279.428 1.417 10 0 CDAERP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@]2(O)CCCOC2)C1 ZINC000659976689 412651457 /nfs/dbraw/zinc/65/14/57/412651457.db2.gz USHUWTLKTXDPLT-CABCVRRESA-N 2 0 270.417 1.192 10 0 CDAERP [NH3+]C1CC[NH+](CCSCc2cccnc2)CC1 ZINC000058827268 357413306 /nfs/dbraw/zinc/41/33/06/357413306.db2.gz KKMLHIZETPCWKJ-UHFFFAOYSA-N 2 0 251.399 1.738 10 0 CDAERP CC[C@]1(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)CCC[NH2+]1 ZINC000364161160 357929453 /nfs/dbraw/zinc/92/94/53/357929453.db2.gz RDJZWHDWICXWEV-IJEWVQPXSA-N 2 0 279.428 1.509 10 0 CDAERP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000019515291 358101479 /nfs/dbraw/zinc/10/14/79/358101479.db2.gz CGSACSKFERGUIF-IHRRRGAJSA-N 2 0 281.444 1.611 10 0 CDAERP CC1CC[NH+](CCN2CC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000644728264 366428293 /nfs/dbraw/zinc/42/82/93/366428293.db2.gz DIGRPMRLHROAJW-LSDHHAIUSA-N 2 0 251.418 1.354 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CCC([NH3+])CC1 ZINC000335211909 359048671 /nfs/dbraw/zinc/04/86/71/359048671.db2.gz ZTOCIADVIWGQLE-BETUJISGSA-N 2 0 282.432 1.382 10 0 CDAERP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261912520 359087169 /nfs/dbraw/zinc/08/71/69/359087169.db2.gz XTWNRLCJVNPNPV-CTASWTNQSA-N 2 0 279.428 1.352 10 0 CDAERP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000261927224 359091784 /nfs/dbraw/zinc/09/17/84/359091784.db2.gz LGSPMEKNMMVWHL-SOKJMZBUSA-N 2 0 293.455 1.216 10 0 CDAERP CN(C(=O)CCCC[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309804446 359136934 /nfs/dbraw/zinc/13/69/34/359136934.db2.gz TVEVJGJZXHUJTQ-INIZCTEOSA-N 2 0 289.423 1.848 10 0 CDAERP C[C@@H]1CC[C@H](O)C[N@@H+]1C[C@H](O)CN(C)Cc1ccccc1 ZINC000643254936 359244986 /nfs/dbraw/zinc/24/49/86/359244986.db2.gz SCSNAGOXALZLIV-HYVNUMGLSA-N 2 0 292.423 1.325 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000572423907 359377144 /nfs/dbraw/zinc/37/71/44/359377144.db2.gz RFQOVEYDGVEWGQ-CABCVRRESA-N 3 0 253.434 1.968 10 0 CDAERP CC[C@H](C)[C@@H](C)[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000347600646 359489396 /nfs/dbraw/zinc/48/93/96/359489396.db2.gz AWZVQSDMKYUNPH-QWHCGFSZSA-N 2 0 281.444 1.754 10 0 CDAERP CC[NH2+]CCCNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000580429530 359614390 /nfs/dbraw/zinc/61/43/90/359614390.db2.gz NKVQHELEZVESRY-STQMWFEESA-N 2 0 255.406 1.400 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000422711408 359650383 /nfs/dbraw/zinc/65/03/83/359650383.db2.gz GXVCRQDDKDZMMQ-SQWLQELKSA-N 2 0 263.429 1.875 10 0 CDAERP C[NH+](C)CCN(C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC000365633581 359673017 /nfs/dbraw/zinc/67/30/17/359673017.db2.gz IKIBLIJVBFMGFL-MRXNPFEDSA-N 2 0 299.434 1.752 10 0 CDAERP COC[C@H]([NH2+][C@H](C)C[C@@H]1COCCN1)c1ccccc1 ZINC000422958150 359716879 /nfs/dbraw/zinc/71/68/79/359716879.db2.gz WVHNCGWVUOGUCL-BMFZPTHFSA-N 2 0 278.396 1.731 10 0 CDAERP [NH3+]CC1CCC([NH2+]C[C@@H](CO)c2ccccc2)CC1 ZINC000423003272 359746810 /nfs/dbraw/zinc/74/68/10/359746810.db2.gz HEPSQUZNUNPYAO-SIWZUTFBSA-N 2 0 262.397 1.870 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000423451003 359796018 /nfs/dbraw/zinc/79/60/18/359796018.db2.gz UGSOUNCSISKGKK-OAHLLOKOSA-N 2 0 277.412 1.888 10 0 CDAERP FC1(F)CC[NH2+]C[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000423474871 359809252 /nfs/dbraw/zinc/80/92/52/359809252.db2.gz HTTFGEIWDVRYKO-WOPDTQHZSA-N 2 0 259.344 1.200 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000456533302 363701767 /nfs/dbraw/zinc/70/17/67/363701767.db2.gz QSJFSIHLQJLKSH-KKUMJFAQSA-N 2 0 281.444 1.659 10 0 CDAERP Cc1ncc(C[N@H+](C)CC2CC[NH+](CCO)CC2)s1 ZINC000069628539 359923467 /nfs/dbraw/zinc/92/34/67/359923467.db2.gz ARLLNPZAHZJQAG-UHFFFAOYSA-N 2 0 283.441 1.588 10 0 CDAERP C[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)C1CCCC1 ZINC000348307270 359987219 /nfs/dbraw/zinc/98/72/19/359987219.db2.gz HIRCQNUGPXMEME-ZDUSSCGKSA-N 2 0 293.455 1.898 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCN2CCO[C@H](C)C2)[C@@H](C)C1 ZINC000337311978 360075748 /nfs/dbraw/zinc/07/57/48/360075748.db2.gz DGZBCIBQINMCFS-XHSDSOJGSA-N 2 0 283.460 1.369 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC([NH3+])CC1 ZINC000335380417 360130232 /nfs/dbraw/zinc/13/02/32/360130232.db2.gz LJBRDMMWYABMQT-CYBMUJFWSA-N 2 0 253.390 1.201 10 0 CDAERP COC(C[NH+]1CCC(C[NH+]2CCCC2)CC1)OC ZINC000090358829 360211827 /nfs/dbraw/zinc/21/18/27/360211827.db2.gz HOYRFKDJVSHMQI-UHFFFAOYSA-N 2 0 256.390 1.413 10 0 CDAERP OCCN1CCCC[C@H]1C[NH2+][C@H]1CCCC12CC2 ZINC000514734687 360367607 /nfs/dbraw/zinc/36/76/07/360367607.db2.gz KMUNVQSEKOIZSR-KBPBESRZSA-N 2 0 252.402 1.756 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000636200602 363734212 /nfs/dbraw/zinc/73/42/12/363734212.db2.gz GGHAHZZVIJTIBW-LSDHHAIUSA-N 2 0 293.455 1.851 10 0 CDAERP COCc1cnc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)s1 ZINC000514940115 360414260 /nfs/dbraw/zinc/41/42/60/360414260.db2.gz XMSCWKYLMUZYSB-TXEJJXNPSA-N 2 0 281.425 1.721 10 0 CDAERP C[C@@]1(C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)CC[NH2+]C1 ZINC000566482033 360455009 /nfs/dbraw/zinc/45/50/09/360455009.db2.gz LUEHFGTUYMGBRH-HZPDHXFCSA-N 2 0 281.444 1.173 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000193298750 296017231 /nfs/dbraw/zinc/01/72/31/296017231.db2.gz PFMWSUBUUSZHHK-OCCSQVGLSA-N 2 0 269.433 1.741 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000070317087 296017343 /nfs/dbraw/zinc/01/73/43/296017343.db2.gz CQJZWFBCMCCWMD-CHWSQXEVSA-N 2 0 255.406 1.352 10 0 CDAERP C[C@]([NH3+])(C(=O)N1CC[NH2+]C(C)(C)C1)c1ccccc1 ZINC000335627415 360602860 /nfs/dbraw/zinc/60/28/60/360602860.db2.gz RCNVQTNWTFGGKH-OAHLLOKOSA-N 2 0 261.369 1.071 10 0 CDAERP C(N1CCCC[C@@H]([NH+]2CCCC2)C1)C12CC(C1)C[NH2+]2 ZINC000634992383 360619195 /nfs/dbraw/zinc/61/91/95/360619195.db2.gz NBWBLCXQQOSFTD-HWOWSKLDSA-N 2 0 263.429 1.689 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000626945848 360688972 /nfs/dbraw/zinc/68/89/72/360688972.db2.gz MQDUCFIDQFVUNW-TTZDDIAXSA-N 2 0 296.459 1.547 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000354177174 360674254 /nfs/dbraw/zinc/67/42/54/360674254.db2.gz ZZOXSTWBGHCRON-CQSZACIVSA-N 2 0 281.444 1.804 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)C[N@@H+]1C1CC1 ZINC000417859520 360784590 /nfs/dbraw/zinc/78/45/90/360784590.db2.gz RZMBKVYDLNGUIE-CXTNEJHOSA-N 2 0 292.427 1.005 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000416829826 296022142 /nfs/dbraw/zinc/02/21/42/296022142.db2.gz NRWOKBGNYVFCNP-VXGBXAGGSA-N 2 0 270.421 1.286 10 0 CDAERP C[NH+]1CCC(CC(=O)N[C@H]2CCc3[nH]cnc3C2)CC1 ZINC000335726412 360853315 /nfs/dbraw/zinc/85/33/15/360853315.db2.gz ZJGWWNFJXRRTRC-LBPRGKRZSA-N 2 0 276.384 1.115 10 0 CDAERP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)[C@H]1CCCOC1 ZINC000356838410 299315327 /nfs/dbraw/zinc/31/53/27/299315327.db2.gz DNHIZVKKKCXRIW-KKUMJFAQSA-N 2 0 270.417 1.238 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@H]([NH3+])[C@@H]2C)C1 ZINC000417913141 361309967 /nfs/dbraw/zinc/30/99/67/361309967.db2.gz PKJUGJITCFJEIX-KKUMJFAQSA-N 2 0 296.459 1.486 10 0 CDAERP O[C@@H]1CCN(CC[NH2+]Cc2cc(-n3ccnc3)cs2)C1 ZINC000623758703 366786793 /nfs/dbraw/zinc/78/67/93/366786793.db2.gz LITYFKKQGNVKQC-CYBMUJFWSA-N 2 0 292.408 1.090 10 0 CDAERP Cc1cnn(C)c1C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000352759250 363872478 /nfs/dbraw/zinc/87/24/78/363872478.db2.gz JVAMLEUJSVLMHR-UHFFFAOYSA-N 2 0 264.417 1.939 10 0 CDAERP C[N@H+](CC(=O)NC1CC([NH+]2CCCCC2)C1)C1CCC1 ZINC000630002266 364409329 /nfs/dbraw/zinc/40/93/29/364409329.db2.gz VEJSXRNHDMVGHE-UHFFFAOYSA-N 2 0 279.428 1.604 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CCNC(=O)c2ccccc2)CC[N@@H+]1C ZINC000162506650 364621745 /nfs/dbraw/zinc/62/17/45/364621745.db2.gz PVKSDZRLGCYVDK-UKRRQHHQSA-N 2 0 275.396 1.489 10 0 CDAERP CCC[C@H](C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[NH+](C)C ZINC000119400543 283790921 /nfs/dbraw/zinc/79/09/21/283790921.db2.gz PZHWSOROLPAGIR-CHWSQXEVSA-N 2 0 271.449 1.809 10 0 CDAERP COC[C@@H](C)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000187650475 364797341 /nfs/dbraw/zinc/79/73/41/364797341.db2.gz CEBTWTVYDXDEOA-AWEZNQCLSA-N 2 0 292.427 1.206 10 0 CDAERP CC[C@H](Cn1cncn1)[NH2+]CCC1CC[NH+](CC)CC1 ZINC000353260778 365095593 /nfs/dbraw/zinc/09/55/93/365095593.db2.gz GIEYLYZMLVAOQJ-OAHLLOKOSA-N 2 0 279.432 1.768 10 0 CDAERP CCC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000353407519 365187029 /nfs/dbraw/zinc/18/70/29/365187029.db2.gz WQCUPNKTZABIQX-BYNSBNAKSA-N 2 0 279.428 1.460 10 0 CDAERP CCc1cc(N2CC[N@H+](CCOC)[C@H](CC)C2)nc(C)n1 ZINC000272924361 365444613 /nfs/dbraw/zinc/44/46/13/365444613.db2.gz UHDZITFJMKPLHE-OAHLLOKOSA-N 2 0 292.427 1.894 10 0 CDAERP C[C@H](C[NH2+][C@H](C)[C@H]1C[C@@H]1C)CN1CC[NH+](C)CC1 ZINC000414073473 241057864 /nfs/dbraw/zinc/05/78/64/241057864.db2.gz MCWWJJALTKBFCQ-BARDWOONSA-N 2 0 253.434 1.504 10 0 CDAERP CCCC[NH+]1CCC(N[C@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000400407746 366955049 /nfs/dbraw/zinc/95/50/49/366955049.db2.gz SEANJBIFHXFUHR-ZIAGYGMSSA-N 2 0 253.434 1.839 10 0 CDAERP CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414684218 241319752 /nfs/dbraw/zinc/31/97/52/241319752.db2.gz CUSCZWFHSVSNPG-KKUMJFAQSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[C@@H]1CC[C@H]([NH2+]CCN2CC[NH2+]CC2)C[C@H]1C ZINC000414873453 241432705 /nfs/dbraw/zinc/43/27/05/241432705.db2.gz XNZSQKUSOSOUIA-PMPSAXMXSA-N 2 0 267.461 1.942 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000626974907 367118314 /nfs/dbraw/zinc/11/83/14/367118314.db2.gz NDNNADHABCWFSW-MELADBBJSA-N 2 0 282.432 1.301 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000626976691 367120886 /nfs/dbraw/zinc/12/08/86/367120886.db2.gz MKJRJUXNUXETPL-QWHCGFSZSA-N 2 0 270.421 1.158 10 0 CDAERP CC[NH+]1CCC(CNC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000626964139 367098935 /nfs/dbraw/zinc/09/89/35/367098935.db2.gz MRFPLACCMCKDGL-OCCSQVGLSA-N 2 0 282.432 1.158 10 0 CDAERP CC[NH+]1CCC(CNC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000626964140 367099033 /nfs/dbraw/zinc/09/90/33/367099033.db2.gz MRFPLACCMCKDGL-TZMCWYRMSA-N 2 0 282.432 1.158 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000626965919 367101685 /nfs/dbraw/zinc/10/16/85/367101685.db2.gz OROWOAMJXFJHEI-BMFZPTHFSA-N 2 0 296.459 1.358 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+]2CCCC2(C)C)C1 ZINC000516877171 367203652 /nfs/dbraw/zinc/20/36/52/367203652.db2.gz RBXWQUAOTCLSPZ-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)C[NH2+]1 ZINC000627025784 367248729 /nfs/dbraw/zinc/24/87/29/367248729.db2.gz XLXXDXMLTQZZTI-LMRVLLHPSA-N 2 0 294.443 1.443 10 0 CDAERP C[C@H]1CC[C@@H](NC(=O)NCc2ccc(C[NH3+])cc2F)C[NH2+]1 ZINC000627112530 367462005 /nfs/dbraw/zinc/46/20/05/367462005.db2.gz XUUNAQVNUZONOL-GXFFZTMASA-N 2 0 294.374 1.224 10 0 CDAERP C[C@H]1C[NH2+]CCN1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000416434031 242003261 /nfs/dbraw/zinc/00/32/61/242003261.db2.gz SBUKRESIMKEAQR-RYUDHWBXSA-N 2 0 296.440 1.354 10 0 CDAERP C[NH2+]C[C@@H](C)C[NH2+]Cc1c(C)cc(OC)nc1C ZINC000414848496 367561281 /nfs/dbraw/zinc/56/12/81/367561281.db2.gz XBNMTBKIDHBGND-SNVBAGLBSA-N 2 0 251.374 1.652 10 0 CDAERP CC(C)[NH2+][C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001661183068 1172350131 /nfs/dbraw/zinc/35/01/31/1172350131.db2.gz QWXXJJRSSWNHOA-TZMCWYRMSA-N 2 0 267.417 1.221 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000627158755 367586922 /nfs/dbraw/zinc/58/69/22/367586922.db2.gz DAEYRRRJRBYGJO-LSDHHAIUSA-N 2 0 290.411 1.297 10 0 CDAERP CC(C)[NH+](CCNC(=O)N[C@H](C)[C@H](C)[NH3+])C(C)C ZINC000416798215 242144188 /nfs/dbraw/zinc/14/41/88/242144188.db2.gz BRUJYRSYOWHLTJ-NWDGAFQWSA-N 2 0 258.410 1.140 10 0 CDAERP O=C(NCCC[NH+]1CCCCC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000416896159 242214988 /nfs/dbraw/zinc/21/49/88/242214988.db2.gz VOYXJSPRVBQJGJ-LSDHHAIUSA-N 2 0 294.443 1.256 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000417003916 242261222 /nfs/dbraw/zinc/26/12/22/242261222.db2.gz HLZJHKCKKAOJHJ-CHWSQXEVSA-N 2 0 290.411 1.080 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)C[NH2+]1 ZINC000627199030 367688782 /nfs/dbraw/zinc/68/87/82/367688782.db2.gz QCQLQRWDZCGFIV-MGPQQGTHSA-N 2 0 282.432 1.110 10 0 CDAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)CCCC[NH3+] ZINC000576276376 317108359 /nfs/dbraw/zinc/10/83/59/317108359.db2.gz HVSXIGBZFMKGOF-OAHLLOKOSA-N 2 0 277.412 1.405 10 0 CDAERP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627242169 367809617 /nfs/dbraw/zinc/80/96/17/367809617.db2.gz OHWKHFYIZNTTPX-OUCADQQQSA-N 2 0 282.432 1.109 10 0 CDAERP CC(C)CC[C@@H]([NH3+])C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000638071143 368023892 /nfs/dbraw/zinc/02/38/92/368023892.db2.gz FSXLPKYWPATBFL-UONOGXRCSA-N 2 0 271.449 1.842 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]([NH3+])CCC(C)C)C1 ZINC000638079473 368126252 /nfs/dbraw/zinc/12/62/52/368126252.db2.gz FPOSRJFEPPQDOL-OLZOCXBDSA-N 2 0 255.406 1.350 10 0 CDAERP C[C@@H]1CCN(C(=O)NCC[C@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000418354750 242975447 /nfs/dbraw/zinc/97/54/47/242975447.db2.gz WCWKSAWGXQQRAW-MGPQQGTHSA-N 2 0 282.432 1.002 10 0 CDAERP C[C@H](CCCC[NH3+])NC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418406804 243039065 /nfs/dbraw/zinc/03/90/65/243039065.db2.gz CJGJZXBPJWXYIY-OCCSQVGLSA-N 2 0 278.400 1.503 10 0 CDAERP [NH3+]C[C@@H]1CC[C@@H](NC(=O)NC[C@@H]([NH3+])c2ccccc2)C1 ZINC000418457400 243102402 /nfs/dbraw/zinc/10/24/02/243102402.db2.gz VNONSBAYBQUAGM-MRVWCRGKSA-N 2 0 276.384 1.113 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000418471794 243117707 /nfs/dbraw/zinc/11/77/07/243117707.db2.gz WCVHNUSAJSYLLZ-HUBLWGQQSA-N 2 0 290.411 1.504 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000418582193 243237325 /nfs/dbraw/zinc/23/73/25/243237325.db2.gz VJHOIXPQXKVJDL-ZIAGYGMSSA-N 2 0 284.448 1.214 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000418716992 243371371 /nfs/dbraw/zinc/37/13/71/243371371.db2.gz ZZXTZQPEJMCGQL-VXGBXAGGSA-N 2 0 270.421 1.095 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001661336034 1172371532 /nfs/dbraw/zinc/37/15/32/1172371532.db2.gz DSUOWCDUVDPSSO-AWEZNQCLSA-N 2 0 281.444 1.851 10 0 CDAERP [NH3+][C@H](Cc1cn(C[C@@H]2CCC[NH2+]2)nn1)c1ccccc1 ZINC000630605186 369373427 /nfs/dbraw/zinc/37/34/27/369373427.db2.gz GOSHRWMLYYEEPQ-DZGCQCFKSA-N 2 0 271.368 1.273 10 0 CDAERP c1cc(C[NH2+]CCCC[NH+]2CCOCC2)sn1 ZINC000638371738 369555504 /nfs/dbraw/zinc/55/55/04/369555504.db2.gz VFIJTODJCWQRHI-UHFFFAOYSA-N 2 0 255.387 1.345 10 0 CDAERP CC(C)[NH+](CCNC(=O)N1CC[C@H]([NH+](C)C)C1)C(C)C ZINC000170862099 369983685 /nfs/dbraw/zinc/98/36/85/369983685.db2.gz ZKTOIHLQHLGJCB-AWEZNQCLSA-N 2 0 284.448 1.451 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](C)C[NH+]2CCCC2)C1 ZINC000249769756 370183433 /nfs/dbraw/zinc/18/34/33/370183433.db2.gz RJNJXMWDMFJMSV-LSDHHAIUSA-N 2 0 296.459 1.502 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCCCC[N@H+](C)C1CC1 ZINC000418266225 370372317 /nfs/dbraw/zinc/37/23/17/370372317.db2.gz MXGMHPBEJAYHMP-OCCSQVGLSA-N 2 0 282.432 1.158 10 0 CDAERP [NH3+]C1(CNC(=O)NCCC[C@H]2CCC[NH2+]2)CCCCCC1 ZINC000418283101 370454198 /nfs/dbraw/zinc/45/41/98/370454198.db2.gz JBOKIKMFRBIFIR-CQSZACIVSA-N 2 0 296.459 1.870 10 0 CDAERP CC(C)(CC[NH3+])NC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000422542645 245102608 /nfs/dbraw/zinc/10/26/08/245102608.db2.gz QPAQSDUPUODSNQ-UHFFFAOYSA-N 2 0 275.396 1.232 10 0 CDAERP COc1cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc(OC)c1 ZINC000414935140 370599271 /nfs/dbraw/zinc/59/92/71/370599271.db2.gz ANJCZIHZSXZNKS-NHYWBVRUSA-N 2 0 264.369 1.791 10 0 CDAERP CC(C)[NH2+]CCCNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000566199715 370643522 /nfs/dbraw/zinc/64/35/22/370643522.db2.gz JEOHYXCERZVESI-AWEZNQCLSA-N 2 0 269.433 1.755 10 0 CDAERP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1cnccc1N ZINC000422746234 245208032 /nfs/dbraw/zinc/20/80/32/245208032.db2.gz WFMWMMXGJTTZLJ-LBPRGKRZSA-N 2 0 262.401 1.877 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(C)c(F)c1 ZINC000422793524 245261883 /nfs/dbraw/zinc/26/18/83/245261883.db2.gz FQXPFLIKQVFOQY-ZDUSSCGKSA-N 2 0 254.349 1.978 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2(CC(N)=O)CC2)[C@H]2CCC[C@H]21 ZINC000573473673 371555480 /nfs/dbraw/zinc/55/54/80/371555480.db2.gz CEQSBNVQVFHQGM-FRRDWIJNSA-N 2 0 265.401 1.104 10 0 CDAERP C[C@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH+](C)C1CC1 ZINC000377944734 371759732 /nfs/dbraw/zinc/75/97/32/371759732.db2.gz OJVCCMWKBOKGSL-WBMJQRKESA-N 2 0 299.434 1.798 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]Cc2cccnc2-n2ccnc2)[C@@H](C)O1 ZINC000296543600 371809684 /nfs/dbraw/zinc/80/96/84/371809684.db2.gz UBIXWWWPQNZGDY-YRGRVCCFSA-N 2 0 272.352 1.923 10 0 CDAERP CCC[C@](C)([NH3+])C(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000378208295 371869291 /nfs/dbraw/zinc/86/92/91/371869291.db2.gz VDUJFKKFLWBAFT-AWEZNQCLSA-N 2 0 264.373 1.633 10 0 CDAERP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCNC(=O)c1ccccc1 ZINC000422913175 245398915 /nfs/dbraw/zinc/39/89/15/245398915.db2.gz PECRVWBKVHNZJC-UKRRQHHQSA-N 2 0 275.396 1.394 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000422921440 245407288 /nfs/dbraw/zinc/40/72/88/245407288.db2.gz PTXSDNRYLOIEBX-FDYHWXHSSA-N 2 0 253.390 1.103 10 0 CDAERP c1cc(CNC2CC[NH+](C[C@@H]3CCOC3)CC2)sn1 ZINC000638669214 372262156 /nfs/dbraw/zinc/26/21/56/372262156.db2.gz PHRIJAXMIQLORR-LBPRGKRZSA-N 2 0 281.425 1.734 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)[C@H](O)Cc1ccccc1 ZINC000422993456 245474715 /nfs/dbraw/zinc/47/47/15/245474715.db2.gz FQDVBCBRKLPHCF-CWRNSKLLSA-N 2 0 280.412 1.322 10 0 CDAERP CC(C)N1CC[C@@H]([NH+]2CCC(C[NH+]3CCCC3)CC2)C1=O ZINC000175096874 372646769 /nfs/dbraw/zinc/64/67/69/372646769.db2.gz BGENVDJSCOGMNI-MRXNPFEDSA-N 2 0 293.455 1.804 10 0 CDAERP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CC[C@@H](OC)C2)CC[NH2+]CC1 ZINC000423076759 245545184 /nfs/dbraw/zinc/54/51/84/245545184.db2.gz ZQJMVEOXAWGZCW-BFHYXJOUSA-N 2 0 298.427 1.465 10 0 CDAERP CC(C)C[C@H]([NH3+])C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000415100220 372832042 /nfs/dbraw/zinc/83/20/42/372832042.db2.gz HRSCZFBKVNMWAB-DGAVXFQQSA-N 2 0 252.402 1.907 10 0 CDAERP Cc1cc(N2CCC[C@H]([NH2+]C3CCC([NH3+])CC3)C2)n(C)n1 ZINC000333341973 205233006 /nfs/dbraw/zinc/23/30/06/205233006.db2.gz YHEWMCSXBDREIE-NRXISQOPSA-N 2 0 291.443 1.557 10 0 CDAERP CC[NH+](CC)C[C@@H](O)CN1CCC[C@@H](c2ccnn2C)C1 ZINC000229748771 373210209 /nfs/dbraw/zinc/21/02/09/373210209.db2.gz VHTQDULUWSOZAR-HUUCEWRRSA-N 2 0 294.443 1.302 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000341210082 373410472 /nfs/dbraw/zinc/41/04/72/373410472.db2.gz DWEGBKCCZWLFNP-HZPDHXFCSA-N 2 0 293.455 1.948 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2CC[NH2+]CC2)[C@@H]2CCC[C@@H]21 ZINC000581997010 373473873 /nfs/dbraw/zinc/47/38/73/373473873.db2.gz CLNOMQKYDJMTDE-KKUMJFAQSA-N 3 0 251.418 1.448 10 0 CDAERP C[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398072060 373595280 /nfs/dbraw/zinc/59/52/80/373595280.db2.gz PLHRDYLQUIBDOF-SQWLQELKSA-N 2 0 289.423 1.621 10 0 CDAERP [NH3+][C@H]1CCC[C@@H]([NH2+]CC2(O)Cc3ccccc3C2)C1 ZINC000584539842 373957904 /nfs/dbraw/zinc/95/79/04/373957904.db2.gz GBLJDOQVIBXOCP-LSDHHAIUSA-N 2 0 260.381 1.376 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)N[C@H](C)C[NH3+])CC1 ZINC000418517296 374402083 /nfs/dbraw/zinc/40/20/83/374402083.db2.gz UXLNBMJPWINPMF-GFCCVEGCSA-N 2 0 270.421 1.097 10 0 CDAERP O=C(NCCC[C@@H]1CCC[NH2+]1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000418758091 374569796 /nfs/dbraw/zinc/56/97/96/374569796.db2.gz ZUNYIDRVYJYVLQ-JSGCOSHPSA-N 2 0 280.416 1.055 10 0 CDAERP C[C@]1(C[NH2+]CCCN2CCOCC2)CCCS1 ZINC000124364030 541983531 /nfs/dbraw/zinc/98/35/31/541983531.db2.gz WQVUASMOIOMLRK-CYBMUJFWSA-N 2 0 258.431 1.584 10 0 CDAERP C[C@H]1C[N@H+](C)C[C@@H]1NC1CC[NH+](C2CCCC2)CC1 ZINC000334285937 374778622 /nfs/dbraw/zinc/77/86/22/374778622.db2.gz BZYKVCFOGGLFGB-BBRMVZONSA-N 2 0 265.445 1.933 10 0 CDAERP Cc1cc(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)on1 ZINC000631068826 374955140 /nfs/dbraw/zinc/95/51/40/374955140.db2.gz WSTNDCYPQLXMRT-CYBMUJFWSA-N 2 0 267.373 1.310 10 0 CDAERP [NH3+][C@@H]1CCCCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000638833318 375040003 /nfs/dbraw/zinc/04/00/03/375040003.db2.gz VLVXDZRSCQGBMU-CQSZACIVSA-N 2 0 279.428 1.592 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000131173029 375381954 /nfs/dbraw/zinc/38/19/54/375381954.db2.gz IANKPUIMOYSQHU-OAHLLOKOSA-N 2 0 283.460 1.811 10 0 CDAERP NNc1cc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)nc[nH+]1 ZINC000306221491 375714270 /nfs/dbraw/zinc/71/42/70/375714270.db2.gz VZLFUAPYZWRUKE-ZDUSSCGKSA-N 2 0 284.367 1.449 10 0 CDAERP C[N@H+]1C[C@@H]2C[NH+](CCC(=O)Nc3cccc(F)c3)C[C@@H]2C1 ZINC000193608250 375877631 /nfs/dbraw/zinc/87/76/31/375877631.db2.gz FBBHLFXLXMVSNI-BETUJISGSA-N 2 0 291.370 1.648 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)N[C@H](C)[C@H](C)[NH3+])CC1 ZINC000417383435 376059325 /nfs/dbraw/zinc/05/93/25/376059325.db2.gz ARDHFIPDQJZPNN-NWDGAFQWSA-N 2 0 270.421 1.286 10 0 CDAERP CC[NH+](CC)CCCN1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000419333037 376125870 /nfs/dbraw/zinc/12/58/70/376125870.db2.gz ICHWXRQSLOZSDX-GJZGRUSLSA-N 2 0 271.449 1.105 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC[C@H](O)C(F)F)[C@H]2CCC[C@H]21 ZINC000631705830 376477831 /nfs/dbraw/zinc/47/78/31/376477831.db2.gz QYYMSBKRMFTYIO-KXNHARMFSA-N 2 0 262.344 1.465 10 0 CDAERP O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CCC[N@@H+](C2CC2)CC1 ZINC000246172343 376524679 /nfs/dbraw/zinc/52/46/79/376524679.db2.gz BIACCQFOWZRZAP-IMJJTQAJSA-N 2 0 291.439 1.604 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)N[C@@H](C)CCC[NH3+])CC1 ZINC000418709314 284580305 /nfs/dbraw/zinc/58/03/05/284580305.db2.gz QZVPLZNCEQAIQW-AWEZNQCLSA-N 2 0 298.475 1.877 10 0 CDAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCC[NH+](CC)C2)C1 ZINC000246328155 376627624 /nfs/dbraw/zinc/62/76/24/376627624.db2.gz AZUWNQFFFDVOTN-LSDHHAIUSA-N 2 0 296.459 1.454 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1c(C)cc(C)nc1C ZINC000631830540 376669466 /nfs/dbraw/zinc/66/94/66/376669466.db2.gz VCTZSYHVDCQBBM-UHFFFAOYSA-N 3 0 265.401 1.675 10 0 CDAERP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc3oc(=O)n(C)c3c2)C1 ZINC000631821634 376642393 /nfs/dbraw/zinc/64/23/93/376642393.db2.gz DPIFGWUHRGSKFT-WCQYABFASA-N 2 0 289.379 1.691 10 0 CDAERP COCC[NH2+]C1CCN(C[C@H]2CCCCO2)CC1 ZINC000631829159 376665290 /nfs/dbraw/zinc/66/52/90/376665290.db2.gz IRXBALCINGEPFG-CQSZACIVSA-N 2 0 256.390 1.256 10 0 CDAERP C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2F)C[C@@H]1C[NH3+] ZINC000631840827 376692936 /nfs/dbraw/zinc/69/29/36/376692936.db2.gz FTLBXIQJUGQPBO-NEPJUHHUSA-N 2 0 279.359 1.681 10 0 CDAERP CC[NH+](CC)CCCNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000246951064 377020415 /nfs/dbraw/zinc/02/04/15/377020415.db2.gz DCIIYVDJLCFIAY-HUUCEWRRSA-N 2 0 296.459 1.596 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000417444807 377152301 /nfs/dbraw/zinc/15/23/01/377152301.db2.gz DVGQGFCYURYIQJ-AGIUHOORSA-N 2 0 270.421 1.014 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247599502 377156817 /nfs/dbraw/zinc/15/68/17/377156817.db2.gz UAHWIECGQFREOX-CABCVRRESA-N 2 0 296.459 1.452 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417449549 377224472 /nfs/dbraw/zinc/22/44/72/377224472.db2.gz YBPHUVOCWBNCKC-RDGKXADDSA-N 2 0 296.459 1.641 10 0 CDAERP COc1ccsc1CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000334765008 377485537 /nfs/dbraw/zinc/48/55/37/377485537.db2.gz IBFMKRDBHYGWEC-MNOVXSKESA-N 2 0 252.383 1.941 10 0 CDAERP COc1ccc(C[NH2+]CCCC[NH+]2CCOCC2)cn1 ZINC000436282134 249391708 /nfs/dbraw/zinc/39/17/08/249391708.db2.gz QGOQFNGOMMVYJN-UHFFFAOYSA-N 2 0 279.384 1.292 10 0 CDAERP O=C(N[C@@H]1CCCC[NH2+]C1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000334926558 377694369 /nfs/dbraw/zinc/69/43/69/377694369.db2.gz DWIMCLDNYGZKLG-ZIAGYGMSSA-N 2 0 280.416 1.008 10 0 CDAERP O=C(CN1CCC[C@@]2(CC[NH2+]C2)C1)NC1CCCCCC1 ZINC000334982192 377748597 /nfs/dbraw/zinc/74/85/97/377748597.db2.gz ZZXOVMIWBARHHT-KRWDZBQOSA-N 2 0 293.455 1.901 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000417532678 377866556 /nfs/dbraw/zinc/86/65/56/377866556.db2.gz LLOGJTOGQQMFRM-MQYQWHSLSA-N 2 0 282.432 1.380 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CC=CCC2)CC[N@@H+]1C ZINC000632807917 377882040 /nfs/dbraw/zinc/88/20/40/377882040.db2.gz IMJLPMCSDXLNKI-UONOGXRCSA-N 2 0 265.401 1.095 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000193299447 378287189 /nfs/dbraw/zinc/28/71/89/378287189.db2.gz KCUOVNFNUFBNLT-CQSZACIVSA-N 2 0 269.433 1.742 10 0 CDAERP C[NH+](C)CCC[C@H]1C[N@H+](CC[C@@H]2CCCCO2)CCO1 ZINC000662324529 412893118 /nfs/dbraw/zinc/89/31/18/412893118.db2.gz XOAFKERURCTFLP-HOTGVXAUSA-N 2 0 284.444 1.988 10 0 CDAERP C[NH2+][C@H]1CCCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000417779671 378722734 /nfs/dbraw/zinc/72/27/34/378722734.db2.gz BUFZGIUEISKZFM-AVOUXACISA-N 2 0 294.443 1.395 10 0 CDAERP CC(C)[C@H]1CN(C(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)CC[N@@H+]1C ZINC000634300660 379359025 /nfs/dbraw/zinc/35/90/25/379359025.db2.gz HAOWBNVUZJBANF-SQWLQELKSA-N 2 0 279.428 1.175 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](COC)OC)[C@@H](C)C1 ZINC000660083146 412912983 /nfs/dbraw/zinc/91/29/83/412912983.db2.gz RRXWXPBOYHQBCP-MJBXVCDLSA-N 2 0 258.406 1.310 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000662387131 412946337 /nfs/dbraw/zinc/94/63/37/412946337.db2.gz BTDHLDDFORTDJS-CABCVRRESA-N 2 0 299.459 1.510 10 0 CDAERP CC[C@@H]1C[N@H+](CC)CCN1C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655932549 412947284 /nfs/dbraw/zinc/94/72/84/412947284.db2.gz XFNGOTKSUUXDJS-ZJUUUORDSA-N 2 0 296.337 1.002 10 0 CDAERP CCc1cc(N2CC[NH+]([C@@H](CC)CO)CC2)cc[nH+]1 ZINC000450362362 251245586 /nfs/dbraw/zinc/24/55/86/251245586.db2.gz QREDSITWRDUZSE-AWEZNQCLSA-N 2 0 263.385 1.537 10 0 CDAERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC2(C(=O)OC)CC2)C1 ZINC000450452777 251291007 /nfs/dbraw/zinc/29/10/07/251291007.db2.gz KLCZGEZPRSGARK-CQSZACIVSA-N 2 0 298.427 1.372 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCCC[C@@H]2CCC[NH2+]2)C1 ZINC000655969505 412983315 /nfs/dbraw/zinc/98/33/15/412983315.db2.gz JHUFVIUFEATPTJ-MELADBBJSA-N 2 0 282.432 1.158 10 0 CDAERP CC[C@@H]1CN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC[C@@H]1[NH3+] ZINC000655970550 412983884 /nfs/dbraw/zinc/98/38/84/412983884.db2.gz HWNJWVKMACYAHK-MQYQWHSLSA-N 2 0 282.432 1.095 10 0 CDAERP CC[NH+]1CCC(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000336151911 285190497 /nfs/dbraw/zinc/19/04/97/285190497.db2.gz ZGMLRGMPYYVCMM-UKRRQHHQSA-N 2 0 294.443 1.349 10 0 CDAERP COC[C@@H](O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000178915101 285245432 /nfs/dbraw/zinc/24/54/32/285245432.db2.gz CFYXNMNGWGMGIC-INIZCTEOSA-N 2 0 284.444 1.582 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC1(C[NH3+])CC1 ZINC000653349113 413021628 /nfs/dbraw/zinc/02/16/28/413021628.db2.gz AMANDAHCQHJHOW-LBPRGKRZSA-N 2 0 253.390 1.106 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000662450472 413029853 /nfs/dbraw/zinc/02/98/53/413029853.db2.gz RPBGYLOXVPEKMK-IHRRRGAJSA-N 2 0 285.432 1.118 10 0 CDAERP CC[C@H]1CC[C@](C[NH3+])(N2CC[NH+](C(C)C)CC2)C1 ZINC000080462369 177654946 /nfs/dbraw/zinc/65/49/46/177654946.db2.gz AUGGSTFYLNJPOL-GJZGRUSLSA-N 2 0 253.434 1.920 10 0 CDAERP COCC[C@@H]1CCCC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000660294195 413041363 /nfs/dbraw/zinc/04/13/63/413041363.db2.gz WPVCPHPYSVQNGD-HOTGVXAUSA-N 2 0 286.460 1.826 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](C)CC2(C)C)CC[N@@H+]1C ZINC000632229216 390602823 /nfs/dbraw/zinc/60/28/23/390602823.db2.gz WGKKEBIMTUSARC-QWHCGFSZSA-N 2 0 267.417 1.269 10 0 CDAERP C[N@@H+]1CC[C@@]2(CC[NH+](CC[C@H]3CCCCO3)C2)C1 ZINC000336427234 390677536 /nfs/dbraw/zinc/67/75/36/390677536.db2.gz MKRWQQJXYVABAV-HUUCEWRRSA-N 2 0 252.402 1.973 10 0 CDAERP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCCSCC2)CC1 ZINC000657831891 413047825 /nfs/dbraw/zinc/04/78/25/413047825.db2.gz FBJILRAJOSGYNU-CQSZACIVSA-N 2 0 285.501 1.888 10 0 CDAERP CN(C(=O)[C@@H]1CCC[NH+]1C1CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000426307973 390871556 /nfs/dbraw/zinc/87/15/56/390871556.db2.gz UIWPRPNDICNPET-CABCVRRESA-N 2 0 277.412 1.308 10 0 CDAERP CC(C)([NH3+])CCC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000648198275 390949813 /nfs/dbraw/zinc/94/98/13/390949813.db2.gz KPGNJEVTKHUEQJ-AWEZNQCLSA-N 2 0 275.396 1.589 10 0 CDAERP Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]C[C@@H]([NH3+])CC(C)C ZINC000415096915 391021099 /nfs/dbraw/zinc/02/10/99/391021099.db2.gz BZPDSEWPNHEFIW-RISCZKNCSA-N 2 0 266.433 1.931 10 0 CDAERP CNC(=O)c1cccc(CC[NH2+]C[C@H]([NH3+])CC(C)C)c1 ZINC000415080677 390997449 /nfs/dbraw/zinc/99/74/49/390997449.db2.gz JRPITYXKCHMHSO-OAHLLOKOSA-N 2 0 277.412 1.552 10 0 CDAERP CC(C)C[C@@H]([NH3+])C[NH2+]CCc1ccc2c(c1)OCCO2 ZINC000415087984 391007664 /nfs/dbraw/zinc/00/76/64/391007664.db2.gz UKMYUJZBIZVAQO-CQSZACIVSA-N 2 0 278.396 1.963 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](CCN2CCO[C@@H](C)C2)CC1 ZINC000337341337 391114469 /nfs/dbraw/zinc/11/44/69/391114469.db2.gz UMPBLBSUHNNSLS-INIZCTEOSA-N 2 0 297.487 1.761 10 0 CDAERP CC(C)NC(=O)CC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000374418993 391161944 /nfs/dbraw/zinc/16/19/44/391161944.db2.gz FYKCARNGXFMBFO-SOUVJXGZSA-N 2 0 297.443 1.085 10 0 CDAERP CC(C)([NH3+])c1noc(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)n1 ZINC000647899424 391189790 /nfs/dbraw/zinc/18/97/90/391189790.db2.gz JWEBRQQHRQQFTQ-NWDGAFQWSA-N 2 0 293.415 1.227 10 0 CDAERP C[NH2+]C1CCN(C(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000565302072 391248085 /nfs/dbraw/zinc/24/80/85/391248085.db2.gz ASLDEDJIPURYMB-HNNXBMFYSA-N 2 0 289.423 1.923 10 0 CDAERP C[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000418308916 391293765 /nfs/dbraw/zinc/29/37/65/391293765.db2.gz HFVVTKFEYJIARX-GZBFAFLISA-N 2 0 294.443 1.253 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000648104815 391338771 /nfs/dbraw/zinc/33/87/71/391338771.db2.gz OLPSAHWYNXNKFL-QLFBSQMISA-N 2 0 293.455 1.755 10 0 CDAERP C[C@H](CNC(=O)N1CC[C@H]([NH3+])[C@@H]1C)[N@@H+]1CCC[C@H](C)C1 ZINC000417016613 391339605 /nfs/dbraw/zinc/33/96/05/391339605.db2.gz ODCNOZVLHPEWKL-CRWXNKLISA-N 2 0 282.432 1.238 10 0 CDAERP C[C@@H](NC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)[C@H](C)[NH3+] ZINC000417169648 391345130 /nfs/dbraw/zinc/34/51/30/391345130.db2.gz HXPXGWCUQPGCHQ-WDMOLILDSA-N 2 0 296.390 1.463 10 0 CDAERP C[NH+](C)CC1CC[NH+]([C@@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000425404098 391545859 /nfs/dbraw/zinc/54/58/59/391545859.db2.gz JIANYLXIUDXXTR-CQSZACIVSA-N 2 0 281.444 1.659 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(OC)nc2)[C@H](C)C1 ZINC000527989510 391557648 /nfs/dbraw/zinc/55/76/48/391557648.db2.gz YUUKIUFCCCRWSY-UKRRQHHQSA-N 2 0 277.412 1.953 10 0 CDAERP C[NH2+]C[C@@H]1CCCN1C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000417530671 391642726 /nfs/dbraw/zinc/64/27/26/391642726.db2.gz ILHMCBYKRCUKAY-KKUMJFAQSA-N 2 0 296.459 1.643 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000417538973 391646642 /nfs/dbraw/zinc/64/66/42/391646642.db2.gz VBNPDKCNHWPNKY-CYDGBPFRSA-N 2 0 270.421 1.284 10 0 CDAERP CC(C)n1ccc(C[C@@H](C)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)n1 ZINC000414935308 391657027 /nfs/dbraw/zinc/65/70/27/391657027.db2.gz FSQCYPMKNMSHPY-UMVBOHGHSA-N 2 0 264.417 1.983 10 0 CDAERP CN1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1=O ZINC000424383938 391673704 /nfs/dbraw/zinc/67/37/04/391673704.db2.gz UPWOITOCLLBVAH-ZQDZILKHSA-N 2 0 279.428 1.365 10 0 CDAERP COc1ccc(CN[C@@H]2CCCC[NH2+]C2)cc1OC ZINC000415064604 391741117 /nfs/dbraw/zinc/74/11/17/391741117.db2.gz CYYSWKWXNMZYAN-CYBMUJFWSA-N 2 0 264.369 1.936 10 0 CDAERP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@@H](C)[C@H](C)[NH3+] ZINC000415015954 391724199 /nfs/dbraw/zinc/72/41/99/391724199.db2.gz NOMLLZDXLYJCLK-VWYCJHECSA-N 2 0 267.348 1.868 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NCc1cnn(Cc2ccc(F)cc2)c1 ZINC000415014602 391724391 /nfs/dbraw/zinc/72/43/91/391724391.db2.gz LSHVKJXVYDQZKU-NEPJUHHUSA-N 2 0 276.359 1.896 10 0 CDAERP O=C(C1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1)N1CCCC1 ZINC000336053103 391848588 /nfs/dbraw/zinc/84/85/88/391848588.db2.gz FOQZDIROKXAWQV-CQSZACIVSA-N 2 0 279.428 1.320 10 0 CDAERP CC[N@H+](CCNC(=O)N(C)[C@@H]1CC[NH+](C)[C@@H](C)C1)C(C)C ZINC000341099586 391948469 /nfs/dbraw/zinc/94/84/69/391948469.db2.gz ZYDMSPPYTJIABE-LSDHHAIUSA-N 2 0 298.475 1.841 10 0 CDAERP CC[C@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000341168139 391951461 /nfs/dbraw/zinc/95/14/61/391951461.db2.gz LECWLRIBKHVAAI-AWEZNQCLSA-N 2 0 279.428 1.604 10 0 CDAERP C[C@H]1CC[N@H+](CCNC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000649341730 392070604 /nfs/dbraw/zinc/07/06/04/392070604.db2.gz SYLOFSLHPPBMFZ-WFASDCNBSA-N 2 0 293.386 1.326 10 0 CDAERP CCCCOC[C@@H](O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000195179639 392053649 /nfs/dbraw/zinc/05/36/49/392053649.db2.gz JBDGGOFPLFVZGL-HOTGVXAUSA-N 2 0 286.460 1.970 10 0 CDAERP CCCCOC[C@@H](O)C[N@H+](C)C1CC[NH+](CCC)CC1 ZINC000195181119 392056077 /nfs/dbraw/zinc/05/60/77/392056077.db2.gz NBTZMJJGTLUXQZ-INIZCTEOSA-N 2 0 286.460 1.970 10 0 CDAERP CC(C)[C@H](C[NH2+][C@H]1COC2(CCC2)C1)N1CC[NH+](C)CC1 ZINC000657834828 413051555 /nfs/dbraw/zinc/05/15/55/413051555.db2.gz VPQNSBOCHGPPRU-CVEARBPZSA-N 2 0 295.471 1.560 10 0 CDAERP COCC[N@H+](C)CCC[NH2+]C1CC(CF)(CF)C1 ZINC000657835608 413051672 /nfs/dbraw/zinc/05/16/72/413051672.db2.gz UWNFDDLGMHNHMB-UHFFFAOYSA-N 2 0 264.360 1.632 10 0 CDAERP CC[NH+](CC)CC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000649371470 392122792 /nfs/dbraw/zinc/12/27/92/392122792.db2.gz LIMNWTJJGYXQQH-OAHLLOKOSA-N 2 0 275.396 1.413 10 0 CDAERP C[C@H](NC(=O)N[C@H]1CC[NH2+]C12CCC2)C1=CC[N@H+](C)CC1 ZINC000529319057 392323411 /nfs/dbraw/zinc/32/34/11/392323411.db2.gz BICREANYYMEXQN-JSGCOSHPSA-N 2 0 292.427 1.221 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])[C@H]1n1cccn1 ZINC000423143481 392383833 /nfs/dbraw/zinc/38/38/33/392383833.db2.gz DFCZWKWYDDVGES-RKQHYHRCSA-N 2 0 266.389 1.317 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000629528651 392385497 /nfs/dbraw/zinc/38/54/97/392385497.db2.gz GBNAZNMWGLXOPH-GFCCVEGCSA-N 2 0 280.368 1.344 10 0 CDAERP COc1ccc([C@@H](NC2CC[NH2+]CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423178409 392418549 /nfs/dbraw/zinc/41/85/49/392418549.db2.gz FWLIBGVRDVSASP-IAGOWNOFSA-N 2 0 289.423 1.830 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@H]1NCCC[NH2+]Cc1cccnc1 ZINC000423187874 392426500 /nfs/dbraw/zinc/42/65/00/392426500.db2.gz NEOLWWHZSOQYTE-JKSUJKDBSA-N 3 0 276.428 1.668 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000645889370 392471556 /nfs/dbraw/zinc/47/15/56/392471556.db2.gz GNWHYOVRDXRKFG-NXEZZACHSA-N 2 0 259.313 1.189 10 0 CDAERP C[C@@H](C[NH3+])N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000423360981 392541775 /nfs/dbraw/zinc/54/17/75/392541775.db2.gz GJFGAFBFOMUGNW-YCPHGPKFSA-N 2 0 261.413 1.834 10 0 CDAERP C[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1C[C@H]1C ZINC000423394978 392574138 /nfs/dbraw/zinc/57/41/38/392574138.db2.gz QQFXMAOCYQVFLB-NOOOWODRSA-N 2 0 279.350 1.457 10 0 CDAERP C[C@H]([NH3+])[C@H](C)C(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000252839475 392814050 /nfs/dbraw/zinc/81/40/50/392814050.db2.gz AXRKDRRZMRVGRL-MROQNXINSA-N 2 0 253.390 1.055 10 0 CDAERP C[C@H](CO)[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000268867045 132079659 /nfs/dbraw/zinc/07/96/59/132079659.db2.gz UFDCPYMFQYUWPT-IIAWOOMASA-N 2 0 262.397 1.867 10 0 CDAERP C[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1C)[NH+]1CCC[C@@H](C)C1 ZINC000195127978 393064933 /nfs/dbraw/zinc/06/49/33/393064933.db2.gz IAANYKGHIXHOFD-ILXRZTDVSA-N 2 0 296.459 1.500 10 0 CDAERP COCCC[NH+]1CCC([NH2+][C@@H]2CCC(=O)NC2(C)C)CC1 ZINC000495063712 393169003 /nfs/dbraw/zinc/16/90/03/393169003.db2.gz YAIGDGMQHSQNSD-CQSZACIVSA-N 2 0 297.443 1.134 10 0 CDAERP C[NH+]1CCC(CC[NH2+][C@@H]2CCC(=O)NC2(C)C)CC1 ZINC000495074157 393171056 /nfs/dbraw/zinc/17/10/56/393171056.db2.gz ZPYHUCLOFCQWCE-CYBMUJFWSA-N 2 0 267.417 1.365 10 0 CDAERP C[NH+](C)CCOCC[NH2+]Cc1cc2cccnc2o1 ZINC000451154818 393126466 /nfs/dbraw/zinc/12/64/66/393126466.db2.gz MQCRFMONRBYWRR-UHFFFAOYSA-N 2 0 263.341 1.496 10 0 CDAERP Cc1nccnc1[C@H](C)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000187975529 140086630 /nfs/dbraw/zinc/08/66/30/140086630.db2.gz CGPRQYJXIZEIMZ-ZDUSSCGKSA-N 2 0 278.400 1.140 10 0 CDAERP CC(C)C1CC([NH2+]CCCN2CC[NH+](C)CC2)C1 ZINC000232536829 140222830 /nfs/dbraw/zinc/22/28/30/140222830.db2.gz LVSFVWWCVMQZGN-UHFFFAOYSA-N 2 0 253.434 1.648 10 0 CDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000261539200 140343980 /nfs/dbraw/zinc/34/39/80/140343980.db2.gz BUROCNLNFHBISM-KBMXLJTQSA-N 2 0 289.423 1.751 10 0 CDAERP C(C[C@@H]1CCOC1)[NH2+][C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000261574275 140352092 /nfs/dbraw/zinc/35/20/92/140352092.db2.gz MRAYFRDMIWDWDT-KBXIAJHMSA-N 2 0 252.402 1.923 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000656200467 413097747 /nfs/dbraw/zinc/09/77/47/413097747.db2.gz NAQQUWHLAOQGCR-ZVDSWSACSA-N 3 0 265.445 1.837 10 0 CDAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCSCC1 ZINC000657975964 413117318 /nfs/dbraw/zinc/11/73/18/413117318.db2.gz ITTOAPHRYUSXJQ-HUUCEWRRSA-N 2 0 285.501 1.888 10 0 CDAERP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C1CC(CF)(CF)C1 ZINC000657975912 413117550 /nfs/dbraw/zinc/11/75/50/413117550.db2.gz ICMZPEZABMGWGJ-ZDUSSCGKSA-N 2 0 289.414 1.690 10 0 CDAERP Cc1ccc2[nH+]ccc(N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)c2c1 ZINC000656219218 413118975 /nfs/dbraw/zinc/11/89/75/413118975.db2.gz PQRJNRBTUNJFTP-UONOGXRCSA-N 2 0 283.375 1.798 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000662552211 413117895 /nfs/dbraw/zinc/11/78/95/413117895.db2.gz CNYTTXBYHIHBJJ-FRRDWIJNSA-N 2 0 255.406 1.112 10 0 CDAERP COCc1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)no1 ZINC000656268795 413144641 /nfs/dbraw/zinc/14/46/41/413144641.db2.gz HJCBMYXSOPUKIW-KLPPZKSPSA-N 2 0 253.346 1.251 10 0 CDAERP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)Cn1cncn1 ZINC000658044112 413149887 /nfs/dbraw/zinc/14/98/87/413149887.db2.gz VYIGNNPKPSVGIG-CYBMUJFWSA-N 2 0 253.394 1.234 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000662586741 413155969 /nfs/dbraw/zinc/15/59/69/413155969.db2.gz YRFRERKFBYVNQH-DTWKUNHWSA-N 2 0 269.311 1.003 10 0 CDAERP Cc1c[nH+]ccc1NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000664235295 413163098 /nfs/dbraw/zinc/16/30/98/413163098.db2.gz DUXKKINMUNVTKB-QGZVFWFLSA-N 2 0 297.402 1.991 10 0 CDAERP C[NH2+][C@H](C)Cc1noc([C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000647143461 397870328 /nfs/dbraw/zinc/87/03/28/397870328.db2.gz BHCYUXBUBXQDHA-VWYCJHECSA-N 2 0 252.362 1.418 10 0 CDAERP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000097092337 147120351 /nfs/dbraw/zinc/12/03/51/147120351.db2.gz MNACTEKQUQINOY-IHRRRGAJSA-N 2 0 269.433 1.741 10 0 CDAERP CCCC[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000105846204 147231608 /nfs/dbraw/zinc/23/16/08/147231608.db2.gz AYGIMOOYAAAJGS-INIZCTEOSA-N 2 0 283.460 1.513 10 0 CDAERP Cc1ccc2cc(C[NH2+]C[C@H]3C[NH2+]C[C@H]3O)ccc2n1 ZINC000262199461 149034135 /nfs/dbraw/zinc/03/41/35/149034135.db2.gz ZZLROFPYKAISRM-GOEBONIOSA-N 2 0 271.364 1.213 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH2+]CC2CC2)[C@@H](C)C1 ZINC000262661948 149091348 /nfs/dbraw/zinc/09/13/48/149091348.db2.gz GPFYTTOTLAGESK-JSGCOSHPSA-N 2 0 267.417 1.175 10 0 CDAERP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)NC1CCCCCC1 ZINC000314793245 149256465 /nfs/dbraw/zinc/25/64/65/149256465.db2.gz RUVXZKFEOZJYJR-GASCZTMLSA-N 2 0 293.455 1.757 10 0 CDAERP CC1=CC[N@H+](CCNC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000335186539 150383896 /nfs/dbraw/zinc/38/38/96/150383896.db2.gz KRYWBBUOPSMWPN-GJZGRUSLSA-N 2 0 292.427 1.032 10 0 CDAERP C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000343555833 152222382 /nfs/dbraw/zinc/22/23/82/152222382.db2.gz FZGOEFJOFZZZDE-YOEHRIQHSA-N 3 0 291.439 1.667 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000660587380 413269269 /nfs/dbraw/zinc/26/92/69/413269269.db2.gz QQKXJLFULGKSHQ-UONOGXRCSA-N 2 0 298.475 1.889 10 0 CDAERP CC(C)C[C@H]([NH2+][C@H](C)[C@H]1CCCO1)C(=O)NCC[NH+](C)C ZINC000346841939 153322453 /nfs/dbraw/zinc/32/24/53/153322453.db2.gz WNRUTSHCWUDJFD-QLFBSQMISA-N 2 0 299.459 1.236 10 0 CDAERP C[NH+](C)[C@]1(CNC(=O)C2([NH3+])CC3(CCC3)C2)CCSC1 ZINC000662681788 413304336 /nfs/dbraw/zinc/30/43/36/413304336.db2.gz LADNTTRYEDJXRR-AWEZNQCLSA-N 2 0 297.468 1.202 10 0 CDAERP [NH3+]CCCCC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000662686807 413310948 /nfs/dbraw/zinc/31/09/48/413310948.db2.gz QYXQKGGLIABLEY-AWEZNQCLSA-N 2 0 277.368 1.415 10 0 CDAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)CC1([NH3+])CC1 ZINC000662688798 413316425 /nfs/dbraw/zinc/31/64/25/413316425.db2.gz BOCXSVLOQUSNAC-CQSZACIVSA-N 2 0 275.396 1.157 10 0 CDAERP CC[C@@H](Cn1cncn1)[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000353626979 155975176 /nfs/dbraw/zinc/97/51/76/155975176.db2.gz JKDCRMWTZHZAQR-ZDUSSCGKSA-N 2 0 297.472 1.474 10 0 CDAERP [NH3+]Cc1ccc(OCc2cn([C@@H]3CCC[NH2+]C3)nn2)cc1 ZINC000656468520 413327932 /nfs/dbraw/zinc/32/79/32/413327932.db2.gz ZEMAAXKPZQEKED-CQSZACIVSA-N 2 0 287.367 1.240 10 0 CDAERP COc1c[nH+]ccc1N1CC[NH+](C[C@H]2C[C@H]2C)CC1 ZINC000355655454 157169288 /nfs/dbraw/zinc/16/92/88/157169288.db2.gz TWMLISNLISVYIS-CHWSQXEVSA-N 2 0 261.369 1.868 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N(C)CC[NH+](C)C ZINC000356115438 157359908 /nfs/dbraw/zinc/35/99/08/157359908.db2.gz TZEJTDBXEDDAMY-KBPBESRZSA-N 2 0 284.448 1.452 10 0 CDAERP CCC[NH+]1CCC([NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)CC1 ZINC000362252325 159107292 /nfs/dbraw/zinc/10/72/92/159107292.db2.gz BMPMCJNPZSMGQI-NWANDNLSSA-N 2 0 279.428 1.460 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1COCCN1C1CCCC1 ZINC000662731642 413396405 /nfs/dbraw/zinc/39/64/05/413396405.db2.gz HXYPZKAXKXWEPM-CABCVRRESA-N 2 0 297.443 1.119 10 0 CDAERP C[C@@H](C(=O)N[C@H]1C[NH2+]CC[C@H]1C)[NH+]1CCCCCC1 ZINC000249977721 286783183 /nfs/dbraw/zinc/78/31/83/286783183.db2.gz LDESYZPGJVVCHV-RDBSUJKOSA-N 2 0 267.417 1.365 10 0 CDAERP Cn1nccc1CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000371434308 160009624 /nfs/dbraw/zinc/00/96/24/160009624.db2.gz JAWBXSWQPYMSND-UHFFFAOYSA-N 2 0 276.428 1.770 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)CC2([NH3+])CC2)C[C@@H]1C ZINC000662742684 413417235 /nfs/dbraw/zinc/41/72/35/413417235.db2.gz FZSBTCUOVCVJTD-NWDGAFQWSA-N 2 0 253.390 1.199 10 0 CDAERP [NH3+]CC1(CC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CCCCC1 ZINC000662749759 413427042 /nfs/dbraw/zinc/42/70/42/413427042.db2.gz PVSSGJJWMKFJHL-VXGBXAGGSA-N 2 0 271.380 1.183 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654562968 413432000 /nfs/dbraw/zinc/43/20/00/413432000.db2.gz USEFMSNYFRVXPA-SOUVJXGZSA-N 2 0 296.459 1.500 10 0 CDAERP C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000405007868 413449708 /nfs/dbraw/zinc/44/97/08/413449708.db2.gz CCPKMLAXUJPFRP-IHRRRGAJSA-N 2 0 267.417 1.304 10 0 CDAERP CCOc1cc(C[NH3+])ccc1OCCC[NH+](C)C ZINC000011962908 170463588 /nfs/dbraw/zinc/46/35/88/170463588.db2.gz ZIKCPWXVDVGSKX-UHFFFAOYSA-N 2 0 252.358 1.875 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)C1CC[NH2+]CC1 ZINC000653210650 412139975 /nfs/dbraw/zinc/13/99/75/412139975.db2.gz DSSIZWPTAGISAZ-UHFFFAOYSA-N 2 0 261.369 1.022 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000653214245 412141928 /nfs/dbraw/zinc/14/19/28/412141928.db2.gz MVQFZJQYTHMKJM-HNNXBMFYSA-N 2 0 277.412 1.608 10 0 CDAERP [NH3+]CC1(CCNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000653215400 412143503 /nfs/dbraw/zinc/14/35/03/412143503.db2.gz SYLDWVQHBHWXLM-AVGNSLFASA-N 2 0 265.401 1.152 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)C[NH2+]C[C@]1(C)CC1(F)F ZINC000656710285 413586280 /nfs/dbraw/zinc/58/62/80/413586280.db2.gz HXXSDUVYRDVKGB-MNOVXSKESA-N 2 0 250.333 1.322 10 0 CDAERP O=C(C[C@H]1CCC[NH2+]1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000662864794 413624997 /nfs/dbraw/zinc/62/49/97/413624997.db2.gz HHGJQSWICJZGIJ-BZUAXINKSA-N 2 0 287.407 1.390 10 0 CDAERP c1cc([C@@H]2C[NH2+]CCO2)ccc1NCC1CC[NH2+]CC1 ZINC000656791362 413671965 /nfs/dbraw/zinc/67/19/65/413671965.db2.gz DMDYGFRDBOSJJM-INIZCTEOSA-N 2 0 275.396 1.759 10 0 CDAERP CC[NH2+][C@H](C)CNC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000659307550 413698912 /nfs/dbraw/zinc/69/89/12/413698912.db2.gz PCABHXUZYAHVBN-BXUZGUMPSA-N 2 0 261.369 1.335 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000662925917 413711326 /nfs/dbraw/zinc/71/13/26/413711326.db2.gz FSXMICBOITWQRC-CABCVRRESA-N 2 0 283.460 1.987 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000662925571 413711628 /nfs/dbraw/zinc/71/16/28/413711628.db2.gz CQGRXHADAQPFAS-RWMBFGLXSA-N 2 0 255.406 1.349 10 0 CDAERP Cc1ccc([C@H]([NH3+])C(=O)NCC[C@@H]([NH3+])C(C)C)cc1 ZINC000662926778 413712386 /nfs/dbraw/zinc/71/23/86/413712386.db2.gz PLXZESJQOJJJJV-KGLIPLIRSA-N 2 0 263.385 1.484 10 0 CDAERP CN(CC1C[NH+](C)C1)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000661108715 413799152 /nfs/dbraw/zinc/79/91/52/413799152.db2.gz DCGWIWDKIOIRPV-UHFFFAOYSA-N 2 0 294.443 1.206 10 0 CDAERP CN(CC(C)(C)[NH3+])C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000659489426 413879127 /nfs/dbraw/zinc/87/91/27/413879127.db2.gz GPFKYFPGBJTPSO-UHFFFAOYSA-N 2 0 282.432 1.382 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661149850 413838047 /nfs/dbraw/zinc/83/80/47/413838047.db2.gz YBRSLTJGFSLFJK-HUUCEWRRSA-N 2 0 277.416 1.474 10 0 CDAERP CO[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)[C@@H]1CCOC1 ZINC000665234635 413958067 /nfs/dbraw/zinc/95/80/67/413958067.db2.gz HQLOHHPHXVUDBT-AAVRWANBSA-N 2 0 256.390 1.016 10 0 CDAERP COC[C@H](CC[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+])OC ZINC000665234909 413962516 /nfs/dbraw/zinc/96/25/16/413962516.db2.gz MGMFBTZEUBOMBK-BPUTZDHNSA-N 2 0 280.412 1.586 10 0 CDAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCO[C@H]1CC1(F)F ZINC000665244026 413977399 /nfs/dbraw/zinc/97/73/99/413977399.db2.gz FCRZIWWGTVDAPM-RNCFNFMXSA-N 2 0 285.338 1.924 10 0 CDAERP C[C@@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CCC[C@@H](C)O1 ZINC000665265505 413993818 /nfs/dbraw/zinc/99/38/18/413993818.db2.gz WYGRWTSZISCROK-XGFWRYKXSA-N 2 0 256.390 1.286 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000659625560 414040583 /nfs/dbraw/zinc/04/05/83/414040583.db2.gz XIQKOEAEYBYDBK-OAHLLOKOSA-N 2 0 298.475 1.876 10 0 CDAERP C[NH+](C)C1CCN(C(=O)c2ccccc2CC[NH3+])CC1 ZINC000070551869 414041684 /nfs/dbraw/zinc/04/16/84/414041684.db2.gz RPJRZYZHBDJGCB-UHFFFAOYSA-N 2 0 275.396 1.354 10 0 CDAERP C[C@H](NCCC[NH+]1CCCC1)[C@@H]1CCC[N@H+](C)C1 ZINC000037220933 173038651 /nfs/dbraw/zinc/03/86/51/173038651.db2.gz GKVMHRHOMSYUOK-LSDHHAIUSA-N 2 0 253.434 1.792 10 0 CDAERP CC[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000665356285 414098638 /nfs/dbraw/zinc/09/86/38/414098638.db2.gz LNRACKFQQZDUQB-KGLIPLIRSA-N 2 0 296.459 1.595 10 0 CDAERP CC(C)n1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)nn1 ZINC000655824991 414230104 /nfs/dbraw/zinc/23/01/04/414230104.db2.gz SSXUFROQMKTMAZ-BJHJDKERSA-N 2 0 251.378 1.289 10 0 CDAERP Cn1nnc2c1CC[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@@H]3CCC[C@@H]31)C2 ZINC000655826932 414236365 /nfs/dbraw/zinc/23/63/65/414236365.db2.gz LQHPRQNJVNMJCX-GUIRCDHDSA-N 2 0 289.427 1.135 10 0 CDAERP CC[NH+]1CCC(C[NH2+]Cc2cn(C3CCC3)nn2)CC1 ZINC000657347925 414205311 /nfs/dbraw/zinc/20/53/11/414205311.db2.gz YIZXGZDUXXXBME-UHFFFAOYSA-N 2 0 277.416 1.825 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CC[NH+]1C[C@@H]2COC[C@]2(C)C1 ZINC000661702341 414297029 /nfs/dbraw/zinc/29/70/29/414297029.db2.gz PQLSTPDPPNPZTJ-KFWWJZLASA-N 2 0 252.402 1.829 10 0 CDAERP [NH3+]C[C@@H]1c2ccccc2CCN1C[C@]12C[C@H]1C[NH2+]C2 ZINC000663498004 414297495 /nfs/dbraw/zinc/29/74/95/414297495.db2.gz QGYWHKVGORNTCB-NUEKZKHPSA-N 2 0 257.381 1.154 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCO1 ZINC000657423629 414314035 /nfs/dbraw/zinc/31/40/35/414314035.db2.gz JODXUQFRMRYIPQ-OLZOCXBDSA-N 2 0 272.352 1.924 10 0 CDAERP CC[C@H]([NH2+]Cc1cnc2n1CCC2)[C@@H](O)C(F)F ZINC000657477880 414374796 /nfs/dbraw/zinc/37/47/96/414374796.db2.gz CWWKFCKJIIAKRW-GXSJLCMTSA-N 2 0 259.300 1.324 10 0 CDAERP Cn1cncc1CCC[N@@H+]1CCOc2ccc(O)cc2C1 ZINC000662093043 414510092 /nfs/dbraw/zinc/51/00/92/414510092.db2.gz NMCNQELTAXGHSK-UHFFFAOYSA-N 2 0 287.363 1.953 10 0 CDAERP O=C(CC[NH+]1CCC(c2ccco2)CC1)N1CC[NH2+]CC1 ZINC000662299261 414623438 /nfs/dbraw/zinc/62/34/38/414623438.db2.gz WLSOQICRCBTDTR-UHFFFAOYSA-N 2 0 291.395 1.281 10 0 CDAERP C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662248538 414583626 /nfs/dbraw/zinc/58/36/26/414583626.db2.gz FIRSNMMVPJIZFN-ZDUSSCGKSA-N 2 0 290.363 1.368 10 0 CDAERP CN(C)C(=O)N(C)[C@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000662315292 414633548 /nfs/dbraw/zinc/63/35/48/414633548.db2.gz DQZZPQNOCGLAGE-AWEZNQCLSA-N 2 0 282.432 1.064 10 0 CDAERP Cc1ccc([C@@H](C)[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc1C ZINC000038031085 174024969 /nfs/dbraw/zinc/02/49/69/174024969.db2.gz WKGIEOKXGYQTFE-OAHLLOKOSA-N 2 0 289.423 1.728 10 0 CDAERP [NH3+]C1(C(=O)N2CCC([NH+]3CCCC3)CC2)CCCC1 ZINC000038101766 174117856 /nfs/dbraw/zinc/11/78/56/174117856.db2.gz KTQUBTJJHAVQOM-UHFFFAOYSA-N 2 0 265.401 1.345 10 0 CDAERP Cc1cc(C)c(C(N)=[NH2+])c(OCC[NH+]2CCCC2)n1 ZINC000040515283 174306652 /nfs/dbraw/zinc/30/66/52/174306652.db2.gz QEGDDROFOYNACG-UHFFFAOYSA-N 2 0 262.357 1.457 10 0 CDAERP CC[C@@H](C)[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000040624396 174356547 /nfs/dbraw/zinc/35/65/47/174356547.db2.gz OBMCSDOBSBOCDT-FRRDWIJNSA-N 2 0 255.406 1.206 10 0 CDAERP CC(C)[N@H+]1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@@H](C)C(=O)N(C)C ZINC000040769194 174399516 /nfs/dbraw/zinc/39/95/16/174399516.db2.gz DDTICRYKYMRTFY-RDGKXADDSA-N 2 0 281.444 1.562 10 0 CDAERP C[C@@H]([NH3+])[C@@H](c1ccncc1)N1CC[NH+](C(C)(C)C)CC1 ZINC000043354128 175021401 /nfs/dbraw/zinc/02/14/01/175021401.db2.gz SKYCVCCCYRESEZ-HIFRSBDPSA-N 2 0 276.428 1.886 10 0 CDAERP CCC[C@@H](C)NC(=O)[C@H](C)[N@H+](CCC[NH3+])CC(C)C ZINC000043417383 175038113 /nfs/dbraw/zinc/03/81/13/175038113.db2.gz QSUOIRSSBWEMTD-KGLIPLIRSA-N 2 0 271.449 1.987 10 0 CDAERP C[C@@H](C(=O)N1CCC([NH3+])CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000043559808 175066010 /nfs/dbraw/zinc/06/60/10/175066010.db2.gz SOOJWOKJENBAJD-TUAOUCFPSA-N 2 0 253.390 1.197 10 0 CDAERP CCC[NH+]1CCN([C@H]2CCCCC[C@H]2[NH2+]C)CC1 ZINC000043805245 175107680 /nfs/dbraw/zinc/10/76/80/175107680.db2.gz ULURHGFBARLOPM-CABCVRRESA-N 2 0 253.434 1.935 10 0 CDAERP CC[NH+]1CCN([C@@H](C)[C@@H]([NH2+]C)c2ccc(OC)cc2)CC1 ZINC000043805843 175108639 /nfs/dbraw/zinc/10/86/39/175108639.db2.gz FIYSMHWYCGEZHU-WMLDXEAASA-N 2 0 291.439 1.982 10 0 CDAERP CCc1ccc([C@H](CN2CC[NH+](C)CC2)[NH2+]C)cc1 ZINC000043810580 175109295 /nfs/dbraw/zinc/10/92/95/175109295.db2.gz RWGDVGOZWAUBRG-INIZCTEOSA-N 2 0 261.413 1.757 10 0 CDAERP CCOc1ccc([C@H](CN2CC[NH+](C)CC2)[NH2+]C)cc1 ZINC000043810497 175109456 /nfs/dbraw/zinc/10/94/56/175109456.db2.gz ISWJQFNFPHVVHM-INIZCTEOSA-N 2 0 277.412 1.593 10 0 CDAERP CC[NH2+][C@@H](c1ccccc1)[C@H](C)N1CC[NH+](C)CC1 ZINC000043810691 175110425 /nfs/dbraw/zinc/11/04/25/175110425.db2.gz UAKYFJMKESXRJR-GOEBONIOSA-N 2 0 261.413 1.973 10 0 CDAERP C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)C[NH+]1CCC(C[NH3+])CC1 ZINC000044513663 175188743 /nfs/dbraw/zinc/18/87/43/175188743.db2.gz JLYNYEJQRJAFKX-GUTXKFCHSA-N 2 0 281.444 1.598 10 0 CDAERP CC[NH+]1CCC(C[NH2+][C@@H](C)c2c(C)nc(C)[nH]c2=O)CC1 ZINC000044517865 175190870 /nfs/dbraw/zinc/19/08/70/175190870.db2.gz IBBPWQJZDNOGRI-NSHDSACASA-N 2 0 292.427 1.769 10 0 CDAERP CC(C)[NH2+]CCCC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044726791 175238540 /nfs/dbraw/zinc/23/85/40/175238540.db2.gz NZUPRDZPEXXLPJ-GFCCVEGCSA-N 2 0 253.390 1.118 10 0 CDAERP CCC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]CCC(=O)NC)C1 ZINC000044989186 175285807 /nfs/dbraw/zinc/28/58/07/175285807.db2.gz RQVZSRKIUPDPAR-OLZOCXBDSA-N 2 0 255.406 1.223 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCC[C@@H](C)[NH2+]1)[NH+]1CCCCC1 ZINC000045010319 175289492 /nfs/dbraw/zinc/28/94/92/175289492.db2.gz RYFCQIAWOBZXGJ-MGPQQGTHSA-N 2 0 267.417 1.508 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](C[NH2+]CCCC(=O)N(C)C)C1 ZINC000045134759 175312359 /nfs/dbraw/zinc/31/23/59/175312359.db2.gz RZBOEFXULDEHQS-ZDUSSCGKSA-N 2 0 255.406 1.175 10 0 CDAERP CC[NH2+][C@@](C)(CCC[N@H+](C)CCc1ccccn1)C(N)=O ZINC000045372021 175364468 /nfs/dbraw/zinc/36/44/68/175364468.db2.gz XFFNOMUYJQEKFD-INIZCTEOSA-N 2 0 292.427 1.190 10 0 CDAERP CC[NH2+][C@](C)(CCCC[NH+]1CCC(C)CC1)C(N)=O ZINC000045374822 175365606 /nfs/dbraw/zinc/36/56/06/175365606.db2.gz MDKWUDPTLNAERF-OAHLLOKOSA-N 2 0 269.433 1.742 10 0 CDAERP CC(C)[N@H+](C)CCCC[C@](C)([NH2+]C1CC1)C(N)=O ZINC000045378017 175367496 /nfs/dbraw/zinc/36/74/96/175367496.db2.gz CCKUCHZQZKFUHV-AWEZNQCLSA-N 2 0 255.406 1.493 10 0 CDAERP CC[NH2+][C@@](C)(CCCC[N@H+](C)C1CCN(C)CC1)C(N)=O ZINC000045379299 175368739 /nfs/dbraw/zinc/36/87/39/175368739.db2.gz PTAXQBTWAIINJF-INIZCTEOSA-N 2 0 298.475 1.036 10 0 CDAERP CC[NH2+][C@](C)(CCCC[N@H+](C)CC(C)C)C(N)=O ZINC000045380874 175369863 /nfs/dbraw/zinc/36/98/63/175369863.db2.gz SWWICAQLOAAUFS-CQSZACIVSA-N 2 0 257.422 1.598 10 0 CDAERP CCC[NH2+][C@](C)(CCC[N@H+](C)C[C@@H](C)CC)C(N)=O ZINC000045388701 175374154 /nfs/dbraw/zinc/37/41/54/175374154.db2.gz HXHZGWFAWIJIMS-DZGCQCFKSA-N 2 0 271.449 1.988 10 0 CDAERP C[NH2+][C@](C)(CCCC[N@H+](C)CCc1ccncc1)C(N)=O ZINC000045419825 175377746 /nfs/dbraw/zinc/37/77/46/175377746.db2.gz FNZPNLSJTIVOMS-MRXNPFEDSA-N 2 0 292.427 1.190 10 0 CDAERP CC(C)[C@@H]1C[C@](C[NH3+])(N2CCC([NH+](C)C)CC2)CCO1 ZINC000070363619 175892005 /nfs/dbraw/zinc/89/20/05/175892005.db2.gz VYLXGPCCZMRKCZ-JKSUJKDBSA-N 2 0 283.460 1.545 10 0 CDAERP CCC[C@H]1C[C@](C[NH3+])(N2CC[NH+](CCC)CC2)CCO1 ZINC000070988230 176018774 /nfs/dbraw/zinc/01/87/74/176018774.db2.gz QPMSNJJPOJVRPS-JKSUJKDBSA-N 2 0 283.460 1.691 10 0 CDAERP CCC[NH2+][C@@H]1CCCN([C@@H]2C[NH+]3CCC2CC3)C1=O ZINC000071032862 176023392 /nfs/dbraw/zinc/02/33/92/176023392.db2.gz LJNYCSPDSVVULY-ZIAGYGMSSA-N 2 0 265.401 1.071 10 0 CDAERP CCC[NH2+][C@H]1CCCN(C[C@H]2CCCC[N@@H+]2C)C1=O ZINC000071033664 176024059 /nfs/dbraw/zinc/02/40/59/176024059.db2.gz OYAZPRFOWQBDRZ-KGLIPLIRSA-N 2 0 267.417 1.461 10 0 CDAERP C[C@H](CCc1ccccc1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071148543 176043858 /nfs/dbraw/zinc/04/38/58/176043858.db2.gz IRVBYBHUPAWHAU-MRXNPFEDSA-N 2 0 275.440 1.845 10 0 CDAERP CCOc1cc(C[N@H+](C)CCN2CC[NH2+]CC2)ccc1O ZINC000071148738 176044387 /nfs/dbraw/zinc/04/43/87/176044387.db2.gz YPKFQTRPXMZSGA-UHFFFAOYSA-N 2 0 293.411 1.128 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1cccc(C[NH3+])c1 ZINC000071188025 176062239 /nfs/dbraw/zinc/06/22/39/176062239.db2.gz JPEKCHJWOYQTDH-CYBMUJFWSA-N 2 0 261.369 1.169 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)[C@@H]1COc2ccccc2[C@@H]1[NH3+] ZINC000071188679 176063448 /nfs/dbraw/zinc/06/34/48/176063448.db2.gz IFDYFBMIYVBNDY-XPKDYRNWSA-N 2 0 275.396 1.331 10 0 CDAERP CN(C[C@H]1CC[N@H+](C)C1)[C@@H](C[NH3+])c1c(F)cccc1F ZINC000071188620 176063995 /nfs/dbraw/zinc/06/39/95/176063995.db2.gz APDUPYSJGHSFED-FZMZJTMJSA-N 2 0 283.366 1.848 10 0 CDAERP CC[NH2+][C@](C)(CCCC[N@H+](C)C[C@@H]1CC[NH+](C)C1)C(=O)[O-] ZINC000071190841 176067551 /nfs/dbraw/zinc/06/75/51/176067551.db2.gz STHDEWJSHGJFJA-GOEBONIOSA-N 2 0 299.459 1.493 10 0 CDAERP C[C@H]([C@@H](O)c1ccccc1)[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190672 176068240 /nfs/dbraw/zinc/06/82/40/176068240.db2.gz RVYJKOUGUXKHGK-IIAWOOMASA-N 2 0 262.397 1.992 10 0 CDAERP CN(CC[NH2+]CCc1ccsc1)C[C@H]1CC[N@H+](C)C1 ZINC000071192398 176073362 /nfs/dbraw/zinc/07/33/62/176073362.db2.gz BOUBCTPLHFINFW-HNNXBMFYSA-N 2 0 281.469 1.764 10 0 CDAERP CCC[NH2+][C@H]1CCN(C[C@@H](C)C[NH+]2CCCC2)C1 ZINC000071200152 176077091 /nfs/dbraw/zinc/07/70/91/176077091.db2.gz PYEZNNFFPANEDI-GJZGRUSLSA-N 2 0 253.434 1.792 10 0 CDAERP CC[NH2+][C@@H]1CCN(C[C@@H](c2cccc(OC)c2)[NH+](C)C)C1 ZINC000071198490 176077348 /nfs/dbraw/zinc/07/73/48/176077348.db2.gz NPKAECGGCYQDHO-WBVHZDCISA-N 2 0 291.439 1.982 10 0 CDAERP CCCN(C[C@H]1C[N@H+](CC(C)C)CCO1)[C@@H]1CC[NH2+]C1 ZINC000071331510 176124757 /nfs/dbraw/zinc/12/47/57/176124757.db2.gz DTFDHONXNBLKNO-HZPDHXFCSA-N 2 0 283.460 1.417 10 0 CDAERP C[N@H+](CCNC(=O)c1cccc(CC[NH3+])c1)C1CCCC1 ZINC000071376542 176141050 /nfs/dbraw/zinc/14/10/50/176141050.db2.gz RHZZCKANDILXLD-UHFFFAOYSA-N 2 0 289.423 1.792 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)C1CCCC1 ZINC000071378630 176143618 /nfs/dbraw/zinc/14/36/18/176143618.db2.gz ZDJHCZHAZHUUGM-BPUTZDHNSA-N 2 0 293.455 1.898 10 0 CDAERP CC(C)(O)C[NH+]1CCN([C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000071380375 176144712 /nfs/dbraw/zinc/14/47/12/176144712.db2.gz LHJFHEQETNHEQR-OAHLLOKOSA-N 2 0 295.402 1.214 10 0 CDAERP CC(C)(O)C[NH+]1CCN(CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000071381788 176145828 /nfs/dbraw/zinc/14/58/28/176145828.db2.gz HUERISPNSCIHNZ-INIZCTEOSA-N 2 0 291.439 1.465 10 0 CDAERP CC(C)(C)[C@H]1CCC[N@H+](CC(=O)N2CCC[NH2+]CC2)CC1 ZINC000079342820 177470372 /nfs/dbraw/zinc/47/03/72/177470372.db2.gz YTIDHOXWABPJCI-HNNXBMFYSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NC1(C)CC[NH2+]CC1 ZINC000417538436 287390029 /nfs/dbraw/zinc/39/00/29/287390029.db2.gz UFVHUHRJSASWQW-ZIAGYGMSSA-N 2 0 296.459 1.691 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000418092860 228029268 /nfs/dbraw/zinc/02/92/68/228029268.db2.gz AUXWEXMLIQRWHB-MCIONIFRSA-N 2 0 296.459 1.404 10 0 CDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCOCC(F)F)CC1 ZINC000189180710 262168325 /nfs/dbraw/zinc/16/83/25/262168325.db2.gz PMOJFHVZCYZEBP-LBPRGKRZSA-N 2 0 294.386 1.293 10 0 CDAERP CC[NH2+][C@H](C)CNCc1cn(-c2cc[nH+]cc2)nc1C ZINC000414955189 263160319 /nfs/dbraw/zinc/16/03/19/263160319.db2.gz LSZOSYQJCOXPQY-GFCCVEGCSA-N 2 0 273.384 1.663 10 0 CDAERP OCCC1([NH2+]CCC[NH2+]C2(CCO)CCCC2)CCCC1 ZINC000660682781 423786506 /nfs/dbraw/zinc/78/65/06/423786506.db2.gz UKTPBKUPDGRTNJ-UHFFFAOYSA-N 2 0 298.471 1.946 10 0 CDAERP FC1(F)C[C@@H]1OCC[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000662273574 423832358 /nfs/dbraw/zinc/83/23/58/423832358.db2.gz OQHBBBZHNIKISL-AVGNSLFASA-N 2 0 274.355 1.732 10 0 CDAERP COC[C@H](C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)OC ZINC000662273478 423832925 /nfs/dbraw/zinc/83/29/25/423832925.db2.gz NDOUCFZZSHWFBR-KKUMJFAQSA-N 2 0 270.417 1.359 10 0 CDAERP CC[NH+](CC)CC(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000653260737 423840267 /nfs/dbraw/zinc/84/02/67/423840267.db2.gz KMHWUDGHZDCGON-KFWWJZLASA-N 2 0 297.443 1.216 10 0 CDAERP COC[C@H](C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)OC ZINC000662278033 423853485 /nfs/dbraw/zinc/85/34/85/423853485.db2.gz ZLVXKTLPLOLKBV-RDBSUJKOSA-N 2 0 256.390 1.112 10 0 CDAERP C[NH+](C)CCOc1ccc(CN2CC[C@@H](F)[C@H]([NH3+])C2)cc1 ZINC000663507565 423899693 /nfs/dbraw/zinc/89/96/93/423899693.db2.gz YGEKKNHLNPQFDG-HZPDHXFCSA-N 2 0 295.402 1.498 10 0 CDAERP CCN(C(=O)NC[C@H](C)[NH+](C)C1CC1)[C@H]1CC[N@H+](CC)C1 ZINC000664000206 424096316 /nfs/dbraw/zinc/09/63/16/424096316.db2.gz WXTFLJIQDFCTGK-ZFWWWQNUSA-N 2 0 296.459 1.595 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)N(CC)[C@@H]1CC[NH+](C)C1 ZINC000663941175 424066274 /nfs/dbraw/zinc/06/62/74/424066274.db2.gz JYHUCAXVVZFBOA-ZIAGYGMSSA-N 2 0 284.448 1.452 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000652225323 424087235 /nfs/dbraw/zinc/08/72/35/424087235.db2.gz WEFKIVSXHMGACB-HUUCEWRRSA-N 2 0 298.475 1.591 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCC2(C[NH3+])CC2)C[C@@H]1C ZINC000652240094 424117605 /nfs/dbraw/zinc/11/76/05/424117605.db2.gz PHKGOLNGKDYCHI-UONOGXRCSA-N 2 0 296.459 1.630 10 0 CDAERP [NH3+]CCCCC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662591651 424210670 /nfs/dbraw/zinc/21/06/70/424210670.db2.gz BXRIGCLHNBSWBH-AWEZNQCLSA-N 2 0 267.417 1.354 10 0 CDAERP C[C@H](C[NH2+]CCF)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001667059143 1173227619 /nfs/dbraw/zinc/22/76/19/1173227619.db2.gz NXYPQKWTLOWALY-CYBMUJFWSA-N 2 0 273.396 1.268 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)NCC1([NH+](C)C)CCC1 ZINC000664719081 424326782 /nfs/dbraw/zinc/32/67/82/424326782.db2.gz MTPCLDIZDSQAOT-UHFFFAOYSA-N 2 0 298.475 1.890 10 0 CDAERP C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3CC[NH+]3C(C)(C)C)C[C@@H]21 ZINC000661408570 424327560 /nfs/dbraw/zinc/32/75/60/424327560.db2.gz LAZVFUZMYSZHKO-RDBSUJKOSA-N 2 0 294.443 1.205 10 0 CDAERP [NH3+]C1(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC2(CCC2)C1 ZINC000662769178 424429700 /nfs/dbraw/zinc/42/97/00/424429700.db2.gz DEFBUAUOUXTOII-TXEJJXNPSA-N 2 0 263.385 1.001 10 0 CDAERP O=C(N1CCC([C@@H]2CC[NH2+]C2)CC1)C1([NH2+]C2CC2)CCC1 ZINC000662780863 424452077 /nfs/dbraw/zinc/45/20/77/424452077.db2.gz SVMOFLHBWDAVNZ-CQSZACIVSA-N 2 0 291.439 1.509 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000662847097 424524629 /nfs/dbraw/zinc/52/46/29/424524629.db2.gz ZGYPFXIMCNZNLM-MGPQQGTHSA-N 2 0 281.444 1.598 10 0 CDAERP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655489253 424507076 /nfs/dbraw/zinc/50/70/76/424507076.db2.gz NHDJUGBTNHPPHK-GUTXKFCHSA-N 2 0 275.396 1.451 10 0 CDAERP CO[C@H](C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1)[C@H]1CCOC1 ZINC000665234787 424470004 /nfs/dbraw/zinc/47/00/04/424470004.db2.gz KCUOZCVNSGOUNG-FXUDXRNXSA-N 2 0 284.444 1.938 10 0 CDAERP CC(C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCCF ZINC001667440254 1173268274 /nfs/dbraw/zinc/26/82/74/1173268274.db2.gz HQDVOTXWESZEIR-STQMWFEESA-N 2 0 273.396 1.171 10 0 CDAERP C[C@H](CC[NH2+]CC1CC(C)C1)NC(=O)CC[NH+](C)C ZINC001668196026 1173380578 /nfs/dbraw/zinc/38/05/78/1173380578.db2.gz CHPRIHFLJNLLOG-ROKHWSDSSA-N 2 0 269.433 1.469 10 0 CDAERP CCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000245973727 276285303 /nfs/dbraw/zinc/28/53/03/276285303.db2.gz OJRAYWKBHSNXHO-ZNMIVQPWSA-N 2 0 275.396 1.675 10 0 CDAERP CCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000182835125 276285355 /nfs/dbraw/zinc/28/53/55/276285355.db2.gz OJRAYWKBHSNXHO-RRFJBIMHSA-N 2 0 275.396 1.675 10 0 CDAERP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@@](C)(O)C(C)C)C2)CC1 ZINC000248542306 276387301 /nfs/dbraw/zinc/38/73/01/276387301.db2.gz CJIZIKQQYRERMU-JKSUJKDBSA-N 2 0 283.460 1.105 10 0 CDAERP C[NH+](C)C1(CNC(=O)[C@H]2CCC[C@@H]2[NH3+])CCCCC1 ZINC000085370709 276753716 /nfs/dbraw/zinc/75/37/16/276753716.db2.gz NDGQRYYXELFMMR-STQMWFEESA-N 2 0 267.417 1.495 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)CC1 ZINC000353316887 277032197 /nfs/dbraw/zinc/03/21/97/277032197.db2.gz VIHVFAOVVRRDIU-OWCLPIDISA-N 2 0 296.455 1.628 10 0 CDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H]2CCCCO2)CC1 ZINC000069918486 278289492 /nfs/dbraw/zinc/28/94/92/278289492.db2.gz CIABAOWNNOOJIL-HOCLYGCPSA-N 2 0 284.444 1.580 10 0 CDAERP CC1(C)NC(=O)CC[C@H]1[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423488291 278405744 /nfs/dbraw/zinc/40/57/44/278405744.db2.gz VEBAMOFIKKEQAY-NWDGAFQWSA-N 2 0 253.390 1.165 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000070574498 278696001 /nfs/dbraw/zinc/69/60/01/278696001.db2.gz GNYQGDDWDJRRKX-KBPBESRZSA-N 2 0 281.444 1.885 10 0 CDAERP CC[NH+](CC)CCN1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000157808952 279103723 /nfs/dbraw/zinc/10/37/23/279103723.db2.gz QSLKXXQASWAQEX-IXDOHACOSA-N 2 0 297.487 1.902 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000261564563 279314111 /nfs/dbraw/zinc/31/41/11/279314111.db2.gz DCCIHXHHERKSIS-CHWSQXEVSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC000356789406 279383260 /nfs/dbraw/zinc/38/32/60/279383260.db2.gz XVTKBHAMQPEJBJ-LBPRGKRZSA-N 2 0 278.400 1.606 10 0 CDAERP CC(C)[C@H]([NH3+])C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000037826157 280271624 /nfs/dbraw/zinc/27/16/24/280271624.db2.gz MILBJKGUFVYSQJ-AWEZNQCLSA-N 2 0 267.417 1.304 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(C)CCC[NH+](C)C ZINC000248624484 280368258 /nfs/dbraw/zinc/36/82/58/280368258.db2.gz NTMWCEKJHUFSMG-CABCVRRESA-N 2 0 298.475 1.700 10 0 CDAERP CC[C@@H](F)C[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001668435548 1173413201 /nfs/dbraw/zinc/41/32/01/1173413201.db2.gz JUNXKCQRTXPRFU-MGPQQGTHSA-N 2 0 287.423 1.513 10 0 CDAERP C[C@@H](Cc1ccccc1)C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000415136727 280740950 /nfs/dbraw/zinc/74/09/50/280740950.db2.gz DHDXCHSQVNADJS-AWEZNQCLSA-N 2 0 262.397 1.651 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000261572543 288308271 /nfs/dbraw/zinc/30/82/71/288308271.db2.gz AGOHULVABJGGMD-RDBSUJKOSA-N 2 0 265.401 1.214 10 0 CDAERP C[NH+](C)CC1(C[NH2+]C2CCN(C(N)=O)CC2)CCCC1 ZINC000185292018 282074773 /nfs/dbraw/zinc/07/47/73/282074773.db2.gz GBLODBCMOXZWQR-UHFFFAOYSA-N 2 0 282.432 1.241 10 0 CDAERP C[NH+](C)C1(CNC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CCCC1 ZINC000334890897 289049073 /nfs/dbraw/zinc/04/90/73/289049073.db2.gz BZEOAORJXZITHP-UONOGXRCSA-N 2 0 294.443 1.254 10 0 CDAERP C[C@@]1(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CCCC[NH2+]1 ZINC000136206896 289132750 /nfs/dbraw/zinc/13/27/50/289132750.db2.gz RSIDEEUHGMNNPI-HIFRSBDPSA-N 2 0 265.401 1.215 10 0 CDAERP C[C@@]1(C(=O)NC2CC([NH+]3CCCCC3)C2)CCC[NH2+]C1 ZINC000335032541 289139376 /nfs/dbraw/zinc/13/93/76/289139376.db2.gz ZWGYSNWAPNLENB-ZBCRRDGASA-N 2 0 279.428 1.509 10 0 CDAERP C[C@H](C[NH2+][C@H](C)[C@@H]1C[C@@H]1C)CN1CC[NH+](C)CC1 ZINC000414073477 289696370 /nfs/dbraw/zinc/69/63/70/289696370.db2.gz MCWWJJALTKBFCQ-LXTVHRRPSA-N 2 0 253.434 1.504 10 0 CDAERP C[C@H]([NH3+])C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000246255125 289765933 /nfs/dbraw/zinc/76/59/33/289765933.db2.gz ISOWHKFBDLPYAA-ATGSNQNLSA-N 2 0 279.428 1.493 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C[NH+](C)C ZINC000552578358 290076260 /nfs/dbraw/zinc/07/62/60/290076260.db2.gz HJKFHKFGAXOHTE-AVGNSLFASA-N 2 0 255.406 1.031 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000422821627 293095658 /nfs/dbraw/zinc/09/56/58/293095658.db2.gz XNYFJZFPWAPIMR-HNNXBMFYSA-N 3 0 271.449 1.450 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1[C@@H](C)[C@H](OC)C1(C)C ZINC000423019786 293097631 /nfs/dbraw/zinc/09/76/31/293097631.db2.gz XEJQUVRUMABEMV-XQHKEYJVSA-N 2 0 258.406 1.389 10 0 CDAERP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000567383271 293773214 /nfs/dbraw/zinc/77/32/14/293773214.db2.gz VGDQZEAXCGEQNI-PNKOWGENSA-N 2 0 268.405 1.037 10 0 CDAERP Cc1cc(C)n2c(C[NH2+]CC3(C)CC[NH2+]CC3)cnc2n1 ZINC000568733281 294089890 /nfs/dbraw/zinc/08/98/90/294089890.db2.gz CLAGIIOLCXSOGP-UHFFFAOYSA-N 2 0 287.411 1.825 10 0 CDAERP C[NH+]1CC[C@@H](NC[C@H]2CCC[N@@H+](C)C2)[C@@H]2CCC[C@@H]21 ZINC000569031128 294145456 /nfs/dbraw/zinc/14/54/56/294145456.db2.gz URECOWXNPMRQAF-QXSJWSMHSA-N 2 0 265.445 1.791 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000570282645 294209494 /nfs/dbraw/zinc/20/94/94/294209494.db2.gz YCLVFVSQOGWIHN-SMDDNHRTSA-N 2 0 261.369 1.199 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000094648803 297088808 /nfs/dbraw/zinc/08/88/08/297088808.db2.gz DWSRZZXJIBGJGZ-KBUPBQIOSA-N 2 0 279.428 1.460 10 0 CDAERP C[C@H](C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000248639715 298099425 /nfs/dbraw/zinc/09/94/25/298099425.db2.gz RAYJWIWIZZWHPP-QZOBBIQNSA-N 2 0 279.428 1.443 10 0 CDAERP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000262014454 298970140 /nfs/dbraw/zinc/97/01/40/298970140.db2.gz XKMFSRNAGBEAPT-LOWDOPEQSA-N 2 0 253.390 1.090 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000334924626 300673983 /nfs/dbraw/zinc/67/39/83/300673983.db2.gz MVWRTTWXWQCGKO-ABXWRUBCSA-N 2 0 282.432 1.238 10 0 CDAERP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)C1C[NH2+]C1 ZINC000091411387 303802078 /nfs/dbraw/zinc/80/20/78/303802078.db2.gz ZHEZKPYOQMYJPW-OAHLLOKOSA-N 2 0 273.380 1.159 10 0 CDAERP CC(C)CCC[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001670345043 1173673710 /nfs/dbraw/zinc/67/37/10/1173673710.db2.gz NMQKNKWSWBUZFJ-OAHLLOKOSA-N 2 0 283.460 1.812 10 0 CDAERP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCC12CC2 ZINC000566501526 316618975 /nfs/dbraw/zinc/61/89/75/316618975.db2.gz XXKZWQRFPVBIGG-KBPBESRZSA-N 2 0 251.418 1.545 10 0 CDAERP CC[NH2+]CCCNC(=O)NC[C@@H](C)[NH+](CC)CC ZINC000569458829 316784819 /nfs/dbraw/zinc/78/48/19/316784819.db2.gz CKZNEBMDYYVNLT-GFCCVEGCSA-N 2 0 258.410 1.016 10 0 CDAERP [NH3+]C1CCC(OCC(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000570038498 316898052 /nfs/dbraw/zinc/89/80/52/316898052.db2.gz CLGRULAXHVJREX-UHFFFAOYSA-N 2 0 297.443 1.265 10 0 CDAERP COc1ccc([C@@H](C[NH3+])CN2CC[NH2+]C[C@@H]2C(F)F)cc1 ZINC000575181770 316973408 /nfs/dbraw/zinc/97/34/08/316973408.db2.gz ZHHQREGSYRQEME-GXTWGEPZSA-N 2 0 299.365 1.276 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)[C@H]1n1cccn1 ZINC000576003190 317057452 /nfs/dbraw/zinc/05/74/52/317057452.db2.gz NPCREDBTWWSQBD-XPABHHOTSA-N 2 0 278.400 1.461 10 0 CDAERP O=C(c1ccc2c[nH+]cn2c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000576226148 317099312 /nfs/dbraw/zinc/09/93/12/317099312.db2.gz UQGGNJHTDKNBJW-BETUJISGSA-N 2 0 284.363 1.406 10 0 CDAERP CN(C(=O)CC[C@@H]1CCCC[N@@H+]1C)[C@@H](C[NH3+])C1CC1 ZINC000576822798 317213913 /nfs/dbraw/zinc/21/39/13/317213913.db2.gz NIRJNMDLWMJZFB-KBPBESRZSA-N 2 0 267.417 1.447 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000577491688 317340181 /nfs/dbraw/zinc/34/01/81/317340181.db2.gz DOSWVJUAUHNLAX-GJZGRUSLSA-N 2 0 281.444 1.885 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CCC1 ZINC001673210338 1173836193 /nfs/dbraw/zinc/83/61/93/1173836193.db2.gz QIGFELPWIDEIFZ-CQSZACIVSA-N 2 0 281.444 1.757 10 0 CDAERP CCC[NH2+]C[C@@H](CC(C)C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001698874256 1159152064 /nfs/dbraw/zinc/15/20/64/1159152064.db2.gz SUNBQCNRIBWQBV-HUUCEWRRSA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC1CC1 ZINC001698977440 1159178042 /nfs/dbraw/zinc/17/80/42/1159178042.db2.gz PDODSQKRUVCQHE-CQSZACIVSA-N 2 0 267.417 1.223 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H]2C[NH2+]C/C=C\Cl)C1 ZINC001671369556 1159180972 /nfs/dbraw/zinc/18/09/72/1159180972.db2.gz YCFMCVDVTFMETM-CRHJNNSXSA-N 2 0 299.846 1.661 10 0 CDAERP CCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001268717345 1160007508 /nfs/dbraw/zinc/00/75/08/1160007508.db2.gz WPSWMLWYKJAPHC-QWHCGFSZSA-N 2 0 255.406 1.365 10 0 CDAERP CC(C)C[C@@H](C[NH2+]CCF)NC(=O)C12CC[NH+](CC1)C2 ZINC001482396479 1160200982 /nfs/dbraw/zinc/20/09/82/1160200982.db2.gz LZQJHSDNWGAFKW-ZDUSSCGKSA-N 2 0 285.407 1.172 10 0 CDAERP C[C@H](C[NH2+]CC1CCC1)N(C)C(=O)CC[NH+](C)C ZINC001271093457 1160244475 /nfs/dbraw/zinc/24/44/75/1160244475.db2.gz OJPAWTGTILYRKE-GFCCVEGCSA-N 2 0 255.406 1.175 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)CC1([NH3+])CC1)c1cccs1 ZINC000398078892 482242833 /nfs/dbraw/zinc/24/28/33/482242833.db2.gz MXEKUUJSYJMPCZ-JTQLQIEISA-N 2 0 267.398 1.348 10 0 CDAERP C[C@]1(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CCC[NH2+]1 ZINC000079521457 482373302 /nfs/dbraw/zinc/37/33/02/482373302.db2.gz VLOGVKXHEJHKOV-DZGCQCFKSA-N 2 0 265.401 1.215 10 0 CDAERP [NH3+]CC1(CCNC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000652130780 482443633 /nfs/dbraw/zinc/44/36/33/482443633.db2.gz ZJCGSTZUKQEADS-QWHCGFSZSA-N 2 0 280.416 1.041 10 0 CDAERP COc1ncncc1C[NH2+]CCCN1C[C@H](C)O[C@@H](C)C1 ZINC000647169402 482456781 /nfs/dbraw/zinc/45/67/81/482456781.db2.gz LRPKGHJIOBFQFY-STQMWFEESA-N 2 0 294.399 1.074 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCC(C)(C)[NH3+] ZINC000094460178 482789496 /nfs/dbraw/zinc/78/94/96/482789496.db2.gz AYGOWEMHJHKGQN-VXGBXAGGSA-N 2 0 253.390 1.199 10 0 CDAERP C[C@H](O)C(C)(C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000677811253 482790876 /nfs/dbraw/zinc/79/08/76/482790876.db2.gz CNXGNUWZIAQFDD-ZDUSSCGKSA-N 2 0 280.412 1.876 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000429472044 482802468 /nfs/dbraw/zinc/80/24/68/482802468.db2.gz HQLGBAHYLFEYIV-GDLCADMTSA-N 2 0 261.369 1.450 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NC/C=C\C[NH3+])C1 ZINC000669405914 482905442 /nfs/dbraw/zinc/90/54/42/482905442.db2.gz NFZQHYYGQSGJDS-YOQOKRQFSA-N 2 0 296.459 1.557 10 0 CDAERP CN(C(=O)C[C@@H]1CCC[C@H]1[NH3+])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000261677102 482918498 /nfs/dbraw/zinc/91/84/98/482918498.db2.gz GMCXKHYXIBQBKP-FPMFFAJLSA-N 2 0 265.401 1.199 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N1CCC[C@H]1C[NH+](C)C ZINC000088288679 482932672 /nfs/dbraw/zinc/93/26/72/482932672.db2.gz JBWOTRIZDLSBMG-KBPBESRZSA-N 2 0 269.433 1.550 10 0 CDAERP CCC[N@@H+]1CC[C@@H](NC(=O)N(C)[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000666926883 483004606 /nfs/dbraw/zinc/00/46/06/483004606.db2.gz ZZBAZMWHWNSEOD-UKRRQHHQSA-N 2 0 294.443 1.349 10 0 CDAERP CC[NH+](CC)CCN(CC(C)C)C(=O)COC1(C)C[NH2+]C1 ZINC000098061670 483005069 /nfs/dbraw/zinc/00/50/69/483005069.db2.gz BMMQZMDQKGVWNL-UHFFFAOYSA-N 2 0 299.459 1.191 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250081104 483013191 /nfs/dbraw/zinc/01/31/91/483013191.db2.gz JWVVUUBRTVLPMI-GJZGRUSLSA-N 2 0 287.407 1.544 10 0 CDAERP Cc1c(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cnn1C ZINC000250883844 483029693 /nfs/dbraw/zinc/02/96/93/483029693.db2.gz DHXPMMWDAOVYSU-UKRRQHHQSA-N 2 0 262.401 1.693 10 0 CDAERP C[NH+](C)CCN(C(=O)[C@H]1CCC[C@H]1C[NH3+])C1CCCC1 ZINC000089457845 483081156 /nfs/dbraw/zinc/08/11/56/483081156.db2.gz INDBJAJGZCFIKR-ZFWWWQNUSA-N 2 0 281.444 1.694 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CCC(C)([NH3+])CC1 ZINC000669469267 483180743 /nfs/dbraw/zinc/18/07/43/483180743.db2.gz PPDIGSBZERAMPI-OKILXGFUSA-N 2 0 296.459 1.772 10 0 CDAERP CC(C)[NH+]1CCN(Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667495471 483318594 /nfs/dbraw/zinc/31/85/94/483318594.db2.gz KYOCNAQTQDHOFN-UHFFFAOYSA-N 2 0 285.395 1.793 10 0 CDAERP NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccnn1-c1ccncc1 ZINC000667561041 483331690 /nfs/dbraw/zinc/33/16/90/483331690.db2.gz JLRVJWAVAASIOR-AWEZNQCLSA-N 2 0 299.378 1.497 10 0 CDAERP CC[C@@H](C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[NH+](C)C ZINC000675778949 483366144 /nfs/dbraw/zinc/36/61/44/483366144.db2.gz CEUTUQZWLHVZJD-ZDUSSCGKSA-N 2 0 273.340 1.546 10 0 CDAERP C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)C[C@H]1CCC[C@H]1O ZINC000667695984 483385333 /nfs/dbraw/zinc/38/53/33/483385333.db2.gz INAHEUCKYIUSFO-CZUORRHYSA-N 2 0 286.379 1.860 10 0 CDAERP C[C@@H](O)CC[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000676045523 483400978 /nfs/dbraw/zinc/40/09/78/483400978.db2.gz KUVSCNGTOHHZIH-CYBMUJFWSA-N 2 0 266.385 1.488 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)NCC[N@H+](C)C1CCCC1 ZINC000136461946 483405440 /nfs/dbraw/zinc/40/54/40/483405440.db2.gz OQUWBFOJCGIFAJ-ZDUSSCGKSA-N 2 0 255.406 1.350 10 0 CDAERP CCN1CC[NH+](CCCC[NH2+][C@@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667783891 483425074 /nfs/dbraw/zinc/42/50/74/483425074.db2.gz AKDSVCMWXVSXHL-DLBZAZTESA-N 2 0 295.471 1.561 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000667936428 483484953 /nfs/dbraw/zinc/48/49/53/483484953.db2.gz KEZDOJFGBGVRHC-RRFJBIMHSA-N 2 0 270.417 1.500 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC000676696439 483563041 /nfs/dbraw/zinc/56/30/41/483563041.db2.gz ZIUGNEYDPGHWDX-HIFRSBDPSA-N 2 0 279.428 1.604 10 0 CDAERP Cc1cn2ccc(NC(=O)N[C@@H]3CCC[N@@H+](C)C3)cc2n1 ZINC000668152644 483586094 /nfs/dbraw/zinc/58/60/94/483586094.db2.gz UFBVTHXZUMOATI-CYBMUJFWSA-N 2 0 287.367 1.858 10 0 CDAERP CC(C)[NH2+]Cc1occc1CN1CCC[N@H+](C)CC1 ZINC000052424221 519730087 /nfs/dbraw/zinc/73/00/87/519730087.db2.gz YGCHJGOTZANBND-UHFFFAOYSA-N 2 0 265.401 1.915 10 0 CDAERP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]CC[C@H]1CCOC1)[NH+](C)C ZINC001483262932 1160886896 /nfs/dbraw/zinc/88/68/96/1160886896.db2.gz LTPYYAQRSPAQCU-SOUVJXGZSA-N 2 0 299.459 1.094 10 0 CDAERP CC[NH2+]Cc1cc(C[N@H+](CCOC)CC(C)C)on1 ZINC000052508557 519986410 /nfs/dbraw/zinc/98/64/10/519986410.db2.gz QAGDFWQGARYYEE-UHFFFAOYSA-N 2 0 269.389 1.889 10 0 CDAERP CC[NH2+]Cc1ccc(N(C)C2CC[NH+](C)CC2)nn1 ZINC000051434886 519998033 /nfs/dbraw/zinc/99/80/33/519998033.db2.gz YBQUJIYIHPDHJW-UHFFFAOYSA-N 2 0 263.389 1.117 10 0 CDAERP CCO[C@@H](C[NH3+])CC[N@H+](C)Cc1ccc(OC)cc1 ZINC000062741009 520307430 /nfs/dbraw/zinc/30/74/30/520307430.db2.gz GGRCDDNRCVUWEZ-OAHLLOKOSA-N 2 0 266.385 1.881 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000340930397 520857191 /nfs/dbraw/zinc/85/71/91/520857191.db2.gz ABDIGHSSTVHVKI-MJBXVCDLSA-N 2 0 284.448 1.499 10 0 CDAERP CCCC[C@@H](CC)CC[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000339413482 521027426 /nfs/dbraw/zinc/02/74/26/521027426.db2.gz OBAFASOFRKMEPV-OAHLLOKOSA-N 2 0 283.460 1.957 10 0 CDAERP CCC[N@H+](CCCC(=O)NC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000068819924 521652430 /nfs/dbraw/zinc/65/24/30/521652430.db2.gz WHSAGMHDZKRTHE-PBWFPOADSA-N 2 0 267.417 1.508 10 0 CDAERP Cc1csc(C[NH2+]CCN(C)C(=O)C[N@@H+](C)C(C)C)n1 ZINC001713666803 1178702827 /nfs/dbraw/zinc/70/28/27/1178702827.db2.gz DKNLPKLHPIYCKT-UHFFFAOYSA-N 2 0 298.456 1.340 10 0 CDAERP C[NH+](C)CCN1CCN([C@@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000061643932 521764246 /nfs/dbraw/zinc/76/42/46/521764246.db2.gz YFMQTNRBCGDCHB-JKSUJKDBSA-N 2 0 282.476 1.216 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1CC[NH2+]C(C1CC1)C1CC1 ZINC000061655193 521838944 /nfs/dbraw/zinc/83/89/44/521838944.db2.gz ZBJQZSNAKIVHGG-HNNXBMFYSA-N 2 0 265.445 1.791 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CCCF ZINC001715580910 1179724242 /nfs/dbraw/zinc/72/42/42/1179724242.db2.gz YGGGBKHAIHEMJV-KGLIPLIRSA-N 2 0 287.423 1.561 10 0 CDAERP C(C[N@@H+]1CCC[C@@H]2CCCC[C@H]21)N1CCC[NH2+]CC1 ZINC000061275046 518388073 /nfs/dbraw/zinc/38/80/73/518388073.db2.gz OBYCKNUHXUASME-JKSUJKDBSA-N 2 0 265.445 1.936 10 0 CDAERP CC(C)(C)[NH+]1CCN(C[C@@H]2CC[C@H](C[NH2+]C3CC3)O2)CC1 ZINC000052571701 518711902 /nfs/dbraw/zinc/71/19/02/518711902.db2.gz JBTJHRBVADAEKW-CVEARBPZSA-N 2 0 295.471 1.702 10 0 CDAERP CC(C)[N@H+](C)CCCCNC(=O)C1CCC(C[NH3+])CC1 ZINC000055162616 519614622 /nfs/dbraw/zinc/61/46/22/519614622.db2.gz HVUSLTIDIDUOQA-UHFFFAOYSA-N 2 0 283.460 1.988 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000055082575 519724194 /nfs/dbraw/zinc/72/41/94/519724194.db2.gz IDXLSHQVJOLBMX-ZIAGYGMSSA-N 2 0 267.417 1.175 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)[C@H]2CCC[C@@H](C)[NH2+]2)CC1 ZINC000055082547 519724809 /nfs/dbraw/zinc/72/48/09/519724809.db2.gz AHYIHNIJYZHSGV-ZIAGYGMSSA-N 2 0 267.417 1.317 10 0 CDAERP CC(C)C[NH+]1CCN(Cc2ccc(C(N)=[NH2+])cc2F)CC1 ZINC000055079673 519727042 /nfs/dbraw/zinc/72/70/42/519727042.db2.gz YZXYHAIBVCNSOD-UHFFFAOYSA-N 2 0 292.402 1.883 10 0 CDAERP CC(C)C[NH+]1CCN([C@]2(C[NH3+])CCSC2)CC1 ZINC000055078387 519728688 /nfs/dbraw/zinc/72/86/88/519728688.db2.gz HJOFWPFNBWCBII-ZDUSSCGKSA-N 2 0 257.447 1.094 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000055138106 519775528 /nfs/dbraw/zinc/77/55/28/519775528.db2.gz AUOYCVVKRXKSAF-XGUBFFRZSA-N 2 0 283.460 1.842 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)C2([NH3+])CCCC2)CC1 ZINC000236769812 519842133 /nfs/dbraw/zinc/84/21/33/519842133.db2.gz BJTYYSUPJFAMJG-UHFFFAOYSA-N 2 0 267.417 1.496 10 0 CDAERP CCC[NH+]1CCC([C@H](C)[NH2+]C[C@@H]2CN(C)CCN2C)CC1 ZINC000068800920 519847828 /nfs/dbraw/zinc/84/78/28/519847828.db2.gz QXHZLLVZKIJDGL-DOTOQJQBSA-N 2 0 296.503 1.332 10 0 CDAERP CC[NH2+]CC1(CN(CC[NH+](C)C)CC(C)C)CCOCC1 ZINC000052182294 519913145 /nfs/dbraw/zinc/91/31/45/519913145.db2.gz RSJUWEFIRKOXEE-UHFFFAOYSA-N 2 0 299.503 1.912 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@H](C[N@H+](CCC)CCN(C)C)O1 ZINC000052544259 519926925 /nfs/dbraw/zinc/92/69/25/519926925.db2.gz CMMJECBNQCOHMR-JKSUJKDBSA-N 2 0 285.476 1.807 10 0 CDAERP CC[NH2+]C[C@@H](C)CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062973749 519943109 /nfs/dbraw/zinc/94/31/09/519943109.db2.gz GHTDHGBRAATFAA-CABCVRRESA-N 2 0 253.434 1.792 10 0 CDAERP CCC[NH2+]Cc1cn(CC[N@H+](C)C[C@@H](C)CC)nn1 ZINC000052454173 519959550 /nfs/dbraw/zinc/95/95/50/519959550.db2.gz UMNRSXBCYOMSTB-ZDUSSCGKSA-N 2 0 267.421 1.756 10 0 CDAERP CCC[NH2+]Cc1cnc(N2CCC[N@H+](C)CC2)s1 ZINC000054899095 519962724 /nfs/dbraw/zinc/96/27/24/519962724.db2.gz BGOAIDIGEXEGDZ-UHFFFAOYSA-N 2 0 268.430 1.785 10 0 CDAERP CCC[NH2+]Cc1cn(CC[N@H+](C)[C@@H](C)CCC)nn1 ZINC000052480663 519962947 /nfs/dbraw/zinc/96/29/47/519962947.db2.gz KOLKHJWVAJOSMQ-ZDUSSCGKSA-N 2 0 267.421 1.898 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000061266259 519963578 /nfs/dbraw/zinc/96/35/78/519963578.db2.gz NGGDCOBKLVMMQR-KGLIPLIRSA-N 2 0 269.433 1.470 10 0 CDAERP CC[NH2+]Cc1cn(CC[N@H+](CCOC)[C@@H](C)C2CC2)nn1 ZINC000052545381 520014112 /nfs/dbraw/zinc/01/41/12/520014112.db2.gz NPWKMECMMSDMEP-ZDUSSCGKSA-N 2 0 295.431 1.135 10 0 CDAERP CC[NH2+][C@H](CN1CCN(CC[NH+](C)C)CC1)C(C)(C)C ZINC000061644019 520199318 /nfs/dbraw/zinc/19/93/18/520199318.db2.gz WNQHBGVNBUMPFA-OAHLLOKOSA-N 2 0 284.492 1.190 10 0 CDAERP CCO[C@@H](C[NH3+])CN1CC[NH+](Cc2ccccc2)CC1 ZINC000062739516 520310492 /nfs/dbraw/zinc/31/04/92/520310492.db2.gz VZFWHXBMXXNUAZ-INIZCTEOSA-N 2 0 277.412 1.168 10 0 CDAERP CCCCNC(=O)CN1CCC[N@H+](CCCCC[NH3+])CC1 ZINC000049280046 520615397 /nfs/dbraw/zinc/61/53/97/520615397.db2.gz CLBHNFFNSDKWGC-UHFFFAOYSA-N 2 0 298.475 1.039 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000055086245 520617743 /nfs/dbraw/zinc/61/77/43/520617743.db2.gz NPAAONVVYDFJIB-QWHCGFSZSA-N 2 0 255.406 1.352 10 0 CDAERP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000227879567 520634678 /nfs/dbraw/zinc/63/46/78/520634678.db2.gz MNACTEKQUQINOY-MELADBBJSA-N 2 0 269.433 1.741 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@@H](C)[NH+](CC)CC ZINC000339943713 520715476 /nfs/dbraw/zinc/71/54/76/520715476.db2.gz KFFWNGINQHKVIS-ZIAGYGMSSA-N 2 0 286.464 1.746 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000055089486 521647425 /nfs/dbraw/zinc/64/74/25/521647425.db2.gz NWHWBKMTQPWHSK-XQQFMLRXSA-N 2 0 253.390 1.104 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(CC[NH2+][C@H](C)[C@@H]2CCCO2)CC1 ZINC000055075442 522121110 /nfs/dbraw/zinc/12/11/10/522121110.db2.gz AULOYGHAGVFAGC-OAGGEKHMSA-N 2 0 283.460 1.560 10 0 CDAERP CC[C@@H](C)[NH+]1CCN([C@H](C)C[C@@](C)(CO)[NH2+]C(C)C)CC1 ZINC000070334887 522131146 /nfs/dbraw/zinc/13/11/46/522131146.db2.gz WHKLQRRRARHWQT-ZACQAIPSSA-N 2 0 299.503 1.930 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(c2nc(C)cc(C)c2C(N)=[NH2+])CC1 ZINC000055067215 522136652 /nfs/dbraw/zinc/13/66/52/522136652.db2.gz QSVIWIBZTGFCKP-CYBMUJFWSA-N 2 0 289.427 1.903 10 0 CDAERP CC[C@H](C[NH2+]C1CC1)N1CC[NH+](C(C)(C)C)CC1 ZINC000052571591 522192110 /nfs/dbraw/zinc/19/21/10/522192110.db2.gz BFUFJOFFNWPUOB-CQSZACIVSA-N 2 0 253.434 1.933 10 0 CDAERP CC[C@@H](CC[NH3+])N1CCC[N@H+](CCn2ccnc2C)CC1 ZINC000049329619 522496467 /nfs/dbraw/zinc/49/64/67/522496467.db2.gz KJLQPZIGBOWSEH-INIZCTEOSA-N 2 0 293.459 1.327 10 0 CDAERP CN(CC[NH+]1CCCC1)C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000063052781 522821753 /nfs/dbraw/zinc/82/17/53/522821753.db2.gz XRRZMTQFIRZUTD-OAHLLOKOSA-N 2 0 275.396 1.631 10 0 CDAERP CC[C@@H]1CO[C@H](C)C[N@@H+]1CC1(C[NH3+])CCOCC1 ZINC000052197593 523515074 /nfs/dbraw/zinc/51/50/74/523515074.db2.gz LVFCWKBEAGWUQU-CHWSQXEVSA-N 2 0 256.390 1.241 10 0 CDAERP COCC[NH+](CCCCC[NH2+]C1CC1)CCOC ZINC000052571469 523694301 /nfs/dbraw/zinc/69/43/01/523694301.db2.gz PWYIGSSLKYOXQP-UHFFFAOYSA-N 2 0 258.406 1.504 10 0 CDAERP COCC[NH+](CCOC)[C@H](C)CC[NH2+]CC(C)C ZINC000052571537 523723347 /nfs/dbraw/zinc/72/33/47/523723347.db2.gz VQPYNZVCGUECQT-CQSZACIVSA-N 2 0 260.422 1.605 10 0 CDAERP COCC[N@H+](C[C@@H](C)C[NH2+]C1CC1)[C@@H](C)COC ZINC000052572298 523730509 /nfs/dbraw/zinc/73/05/09/523730509.db2.gz DOJWOQSSXISJEO-STQMWFEESA-N 2 0 258.406 1.358 10 0 CDAERP C[NH+]1CCC(CNC(=O)C[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000055140219 523761536 /nfs/dbraw/zinc/76/15/36/523761536.db2.gz KWGKRCKGDGRCFJ-UONOGXRCSA-N 2 0 267.417 1.352 10 0 CDAERP C[NH+]1CCC(OC[C@@H]2CC[C@H](C[NH2+]C3CC3)O2)CC1 ZINC000052596880 523779741 /nfs/dbraw/zinc/77/97/41/523779741.db2.gz WUQUFATUZHAAOT-CABCVRRESA-N 2 0 268.401 1.397 10 0 CDAERP C[NH+]1CCN([C@@H](C[NH3+])c2cccc3cccnc32)CC1 ZINC000069502176 523916598 /nfs/dbraw/zinc/91/65/98/523916598.db2.gz FJUYQJUKMAVEHW-HNNXBMFYSA-N 2 0 270.380 1.482 10 0 CDAERP CC[C@H](C)[NH+]1CCN([C@H](C[NH3+])C2CCOCC2)CC1 ZINC000055064395 523959276 /nfs/dbraw/zinc/95/92/76/523959276.db2.gz UEWVLSSPUQATSM-DZGCQCFKSA-N 2 0 269.433 1.156 10 0 CDAERP CCc1ccc([C@@H](C[NH3+])N2CCC[C@@H]2C[NH+](C)C)o1 ZINC000061642749 524028561 /nfs/dbraw/zinc/02/85/61/524028561.db2.gz SNEAYUQDFMMEOC-TZMCWYRMSA-N 2 0 265.401 1.868 10 0 CDAERP C[NH+](C)C(C)(C)CNC(=O)C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000055141738 524032672 /nfs/dbraw/zinc/03/26/72/524032672.db2.gz GPFJGXKDNAMUMH-VXGBXAGGSA-N 2 0 255.406 1.350 10 0 CDAERP C[NH+](C)CC1(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CCC1 ZINC000366023906 524047976 /nfs/dbraw/zinc/04/79/76/524047976.db2.gz IHESUEYCNIQMLG-MRXNPFEDSA-N 2 0 299.434 1.799 10 0 CDAERP C[NH+](C)CC1CC[NH+](Cc2cccnc2C(N)=S)CC1 ZINC000061659900 524049587 /nfs/dbraw/zinc/04/95/87/524049587.db2.gz UXDHQLYQNNXHEO-UHFFFAOYSA-N 2 0 292.452 1.489 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1[C@@H](C)CCC[C@@H]1[NH3+])[NH+]1CCCCC1 ZINC000055135377 524445419 /nfs/dbraw/zinc/44/54/19/524445419.db2.gz UDVVISOPEPTFTA-LJISPDSOSA-N 2 0 281.444 1.741 10 0 CDAERP C[C@H]([NH3+])[C@H](N1CCC[C@@H]1C[NH+](C)C)C(F)(F)F ZINC000061642253 524852562 /nfs/dbraw/zinc/85/25/62/524852562.db2.gz SLNGSIDXJNGLKS-AEJSXWLSSA-N 2 0 253.312 1.291 10 0 CDAERP C[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)C(C)(C)C[NH+](C)C ZINC000237472568 525153209 /nfs/dbraw/zinc/15/32/09/525153209.db2.gz KRKPEUHGZMTTRA-AJNGGQMLSA-N 2 0 295.471 2.000 10 0 CDAERP C[C@@H]1[C@@H](C)CCC[N@@H+]1CCn1cc(C[NH2+]C2CC2)nn1 ZINC000052373369 525639071 /nfs/dbraw/zinc/63/90/71/525639071.db2.gz AYEWSAXJXGJSQQ-QWHCGFSZSA-N 2 0 277.416 1.651 10 0 CDAERP C[NH2+]C[C@@H]1CCCN1C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418445768 536456123 /nfs/dbraw/zinc/45/61/23/536456123.db2.gz HQFPAXCFCFQALK-KBPBESRZSA-N 2 0 276.384 1.080 10 0 CDAERP [NH3+]CC1(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)CCOCC1 ZINC000052197751 527164056 /nfs/dbraw/zinc/16/40/56/527164056.db2.gz QQHMWWARXQMAED-UONOGXRCSA-N 2 0 268.401 1.385 10 0 CDAERP [NH3+]Cc1ccc(F)cc1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000069401639 527254835 /nfs/dbraw/zinc/25/48/35/527254835.db2.gz LEKPJDYOWBJWJT-INIZCTEOSA-N 2 0 277.387 1.955 10 0 CDAERP NNc1cc(CN2CCC([NH+]3CCCCC3)CC2)cc[nH+]1 ZINC000052718830 527274342 /nfs/dbraw/zinc/27/43/42/527274342.db2.gz FAYFYOPALSCBIS-UHFFFAOYSA-N 2 0 289.427 1.818 10 0 CDAERP Cc1nccc(C[NH2+]CCCC[N@@H+](C)C(C)C)n1 ZINC000054790894 527337482 /nfs/dbraw/zinc/33/74/82/527337482.db2.gz HRQKFJHDNCTFJT-UHFFFAOYSA-N 2 0 250.390 1.995 10 0 CDAERP CC(C)n1ccc(C[C@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)n1 ZINC000414827615 535091364 /nfs/dbraw/zinc/09/13/64/535091364.db2.gz HMZXGLAGJOZILE-KBPBESRZSA-N 2 0 264.417 1.984 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2CC[NH2+]C)C1 ZINC000228501767 535581187 /nfs/dbraw/zinc/58/11/87/535581187.db2.gz BRIBCCQXGNXDKS-HNNXBMFYSA-N 2 0 289.423 1.663 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000422821076 536596547 /nfs/dbraw/zinc/59/65/47/536596547.db2.gz UHZJAZREUCCHQC-GFCCVEGCSA-N 2 0 296.802 1.831 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)CC[C@@H](C)F ZINC001689969646 1174703773 /nfs/dbraw/zinc/70/37/73/1174703773.db2.gz MNMWKVQNDGAWGU-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP [NH3+][C@H]1CCC[C@@H]1[NH2+][C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000650751886 574439324 /nfs/dbraw/zinc/43/93/24/574439324.db2.gz DMSLSYSMSCZFBE-QPSCCSFWSA-N 2 0 261.369 1.771 10 0 CDAERP C[NH+](C)CCNC(=S)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000743004018 576622205 /nfs/dbraw/zinc/62/22/05/576622205.db2.gz APMVJWNPKQZGQP-YHWZYXNKSA-N 2 0 284.473 1.027 10 0 CDAERP CC[NH+](CC)CCO[C@H]1CC[N@H+](C/C=C(\C)C(=O)OC)C1 ZINC000748823494 576928057 /nfs/dbraw/zinc/92/80/57/576928057.db2.gz AKGSZGVJKBBHTQ-LULHVWEPSA-N 2 0 298.427 1.538 10 0 CDAERP C[N@@H+](C/C=C/Cl)CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001689813235 1175268024 /nfs/dbraw/zinc/26/80/24/1175268024.db2.gz HZMMUKFGQVXFOV-XBXARRHUSA-N 2 0 299.846 1.805 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2ccc3c(c2)OCO3)C12CCC2 ZINC000925512004 617416459 /nfs/dbraw/zinc/41/64/59/617416459.db2.gz YCXBFVPHQSSLPQ-HUUCEWRRSA-N 2 0 274.364 1.817 10 0 CDAERP C[C@H](NC[C@]1(O)CC[N@H+](C)C1)c1cnn(C2CCC2)c1 ZINC000926174153 617442926 /nfs/dbraw/zinc/44/29/26/617442926.db2.gz QBFMXZDALOIGNG-SWLSCSKDSA-N 2 0 278.400 1.325 10 0 CDAERP C[NH+](C)CCOCC[NH2+][C@H](C1CC1)[C@@H]1CCCOC1 ZINC000926252915 617632864 /nfs/dbraw/zinc/63/28/64/617632864.db2.gz FLZFFYOEZAVUFK-HUUCEWRRSA-N 2 0 270.417 1.359 10 0 CDAERP CC(C)CO[C@@H]1C[C@H]([NH2+]CCN2CCC([NH3+])CC2)C1(C)C ZINC000925813359 617759468 /nfs/dbraw/zinc/75/94/68/617759468.db2.gz UHOOMXDTSYPVJO-JKSUJKDBSA-N 2 0 297.487 1.839 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]CC2(C3(O)CCOCC3)CC2)C12CCC2 ZINC000925826092 617815402 /nfs/dbraw/zinc/81/54/02/617815402.db2.gz JPNMHONOOOKXHX-CHWSQXEVSA-N 2 0 280.412 1.168 10 0 CDAERP NC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925719221 617842710 /nfs/dbraw/zinc/84/27/10/617842710.db2.gz MKMWNSSCQGHRGJ-XDQVBPFNSA-N 2 0 265.401 1.008 10 0 CDAERP C(N[C@H]1CC[NH2+]C12CCCC2)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925839457 617871109 /nfs/dbraw/zinc/87/11/09/617871109.db2.gz QZWLDWWNROXHIM-QLFBSQMISA-N 2 0 263.429 1.783 10 0 CDAERP C[C@H](CCC1CC1)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925854743 617892710 /nfs/dbraw/zinc/89/27/10/617892710.db2.gz JPOQFFAFVQVCDH-TZMCWYRMSA-N 2 0 280.412 1.840 10 0 CDAERP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@H]2CCC[C@@H]2[NH3+])C1 ZINC000925881625 617965622 /nfs/dbraw/zinc/96/56/22/617965622.db2.gz JYFKUMJBEXXPFH-YHUYYLMFSA-N 3 0 259.397 1.515 10 0 CDAERP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccnn1C ZINC000925729078 617997697 /nfs/dbraw/zinc/99/76/97/617997697.db2.gz OWKACEYLFDDMKV-QJPTWQEYSA-N 2 0 250.390 1.977 10 0 CDAERP C[N@H+](CCO[C@H]1CCOC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000930460854 618172034 /nfs/dbraw/zinc/17/20/34/618172034.db2.gz SJARSQYVLPMQSR-IXXDHKBRSA-N 2 0 268.401 1.349 10 0 CDAERP CC1(C)[C@@H](NCCC[NH+]2CCC(O)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925506055 618178108 /nfs/dbraw/zinc/17/81/08/618178108.db2.gz VXERKRFGVDXSSQ-PMPSAXMXSA-N 2 0 295.471 1.199 10 0 CDAERP C[C@@H](CN1CCCC1=O)[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925506422 618185826 /nfs/dbraw/zinc/18/58/26/618185826.db2.gz RBXPFHKMYVTFFU-NEBZKDRISA-N 2 0 279.428 1.364 10 0 CDAERP CC(C)[C@H]1COCC[C@@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000924964253 618462519 /nfs/dbraw/zinc/46/25/19/618462519.db2.gz AFHAGPXTXMULKB-SJORKVTESA-N 2 0 297.487 1.665 10 0 CDAERP CC(C)[C@@H]1COCC[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000924965239 618474200 /nfs/dbraw/zinc/47/42/00/618474200.db2.gz XGYUUYOYYRDFCU-LSDHHAIUSA-N 2 0 254.418 1.979 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC[N@@H+]1C ZINC000928430914 619016860 /nfs/dbraw/zinc/01/68/60/619016860.db2.gz AAUFGSVNZVAFJF-TYNCELHUSA-N 2 0 285.407 1.408 10 0 CDAERP C[C@H]1CO[C@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1 ZINC000896622370 620170849 /nfs/dbraw/zinc/17/08/49/620170849.db2.gz FLLVSVIDABOBNQ-CABCVRRESA-N 2 0 299.459 1.143 10 0 CDAERP C[C@H]1[C@@H](NC(=O)NCC2(C)CC[NH+](C)CC2)CC[N@@H+]1C ZINC000925332030 621577009 /nfs/dbraw/zinc/57/70/09/621577009.db2.gz MTRNGKQJHHVZEQ-STQMWFEESA-N 2 0 282.432 1.110 10 0 CDAERP C[C@H]1CC2(CC([NH2+]C3CCN(CC[NH+](C)C)CC3)C2)CO1 ZINC000924630700 621608563 /nfs/dbraw/zinc/60/85/63/621608563.db2.gz AHCQPPQRBYUJTI-OOHWJJMZSA-N 2 0 295.471 1.560 10 0 CDAERP COCC[N@H+](C)CCC[NH2+][C@H](C1CC1)C1CCOCC1 ZINC000924653285 621636064 /nfs/dbraw/zinc/63/60/64/621636064.db2.gz IQLPIZGUPODXGG-MRXNPFEDSA-N 2 0 284.444 1.750 10 0 CDAERP CCN1CC[NH+](CCCC[NH2+][C@@H]2[C@@H](C)COC[C@H]2C)CC1 ZINC000924660066 621639085 /nfs/dbraw/zinc/63/90/85/621639085.db2.gz NIOINHOMOXWSDT-FVQHAEBGSA-N 2 0 297.487 1.665 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC000898838333 621888198 /nfs/dbraw/zinc/88/81/98/621888198.db2.gz FFSKWLNLMCWNIY-STQMWFEESA-N 2 0 267.417 1.317 10 0 CDAERP CC(C)C[C@@H]([NH2+]C[C@]1(O)CCN(C)C1)C1CCOCC1 ZINC000902954291 625689251 /nfs/dbraw/zinc/68/92/51/625689251.db2.gz UTILZAPOUNLRHS-HZPDHXFCSA-N 2 0 284.444 1.484 10 0 CDAERP COC[C@H](CO)[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000902975925 625712899 /nfs/dbraw/zinc/71/28/99/625712899.db2.gz KRZNLCYNLSMLCP-JSGCOSHPSA-N 2 0 275.352 1.530 10 0 CDAERP C[NH+]1CCN(CCC[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)CC1 ZINC000902730719 625279541 /nfs/dbraw/zinc/27/95/41/625279541.db2.gz SIZYZEKBFMLPOJ-FIDHJVLJSA-N 2 0 293.455 1.027 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)C1 ZINC000903434319 625991414 /nfs/dbraw/zinc/99/14/14/625991414.db2.gz BZWBFYWBZQHFOT-RRFJBIMHSA-N 2 0 279.428 1.591 10 0 CDAERP C[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H](C(F)(F)F)O1 ZINC000903439520 625992126 /nfs/dbraw/zinc/99/21/26/625992126.db2.gz JJEXZTFJBXGKHJ-ZRUFSTJUSA-N 2 0 266.307 1.765 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000903442719 625997667 /nfs/dbraw/zinc/99/76/67/625997667.db2.gz ZSZGFLYZODOXAC-MCIONIFRSA-N 2 0 262.401 1.455 10 0 CDAERP CCCCCC[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903491076 626010501 /nfs/dbraw/zinc/01/05/01/626010501.db2.gz UMGAUQPBDBZCGD-GUTXKFCHSA-N 2 0 268.401 1.779 10 0 CDAERP CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](CC[C@@H]3CCC[NH2+]C3)C[C@@H]21 ZINC000903563724 626020002 /nfs/dbraw/zinc/02/00/02/626020002.db2.gz KHLJDKQULGCWBT-LJISPDSOSA-N 2 0 280.412 1.507 10 0 CDAERP C[C@@]1(C2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)COC(=O)N1 ZINC000903563718 626020264 /nfs/dbraw/zinc/02/02/64/626020264.db2.gz KEZNUQIRRKJJQQ-DOMZBBRYSA-N 2 0 281.400 1.197 10 0 CDAERP C([C@@H]1C[C@@H]2COC[C@@H]2O1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000903750104 626072394 /nfs/dbraw/zinc/07/23/94/626072394.db2.gz UVMIKRALMVUVRE-FZKCQIBNSA-N 2 0 280.412 1.112 10 0 CDAERP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@@H+]1CCOCC2(CCC2)C1 ZINC000903759485 626080889 /nfs/dbraw/zinc/08/08/89/626080889.db2.gz QIBJCCJKZGUVIL-GDBMZVCRSA-N 2 0 280.412 1.258 10 0 CDAERP C([C@@H]1CC2(CO1)CC[NH2+]CC2)[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000903765525 626084210 /nfs/dbraw/zinc/08/42/10/626084210.db2.gz IZULJOGOFVGCEN-KKUMJFAQSA-N 2 0 280.412 1.113 10 0 CDAERP C([C@@H]1CC2(CO1)CC[NH2+]CC2)[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000903777996 626090930 /nfs/dbraw/zinc/09/09/30/626090930.db2.gz HYPBHDFYTYYWBH-KKUMJFAQSA-N 2 0 296.480 1.830 10 0 CDAERP C([C@@H]1CC2(CO1)CC[NH2+]CC2)[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000903784432 626093694 /nfs/dbraw/zinc/09/36/94/626093694.db2.gz OTJCWGOMDLTTOZ-MJBXVCDLSA-N 2 0 282.453 1.440 10 0 CDAERP NC(=O)C[C@H]1CCCC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903888485 626123955 /nfs/dbraw/zinc/12/39/55/626123955.db2.gz DBOWOSDPXWPSLZ-WTUNAVPPSA-N 2 0 265.401 1.247 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@H+](CCO)CC(C)(C)C)cnn1C ZINC000903890598 626125117 /nfs/dbraw/zinc/12/51/17/626125117.db2.gz FUOVOWLTZBGNOD-AWEZNQCLSA-N 2 0 296.459 1.186 10 0 CDAERP CCC[N@@H+](CC(=O)OC)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903874249 626128300 /nfs/dbraw/zinc/12/83/00/626128300.db2.gz WDDLUGUOSXWTKA-YHWZYXNKSA-N 2 0 254.374 1.402 10 0 CDAERP CCCN(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CC[NH2+]C1 ZINC000903874250 626128342 /nfs/dbraw/zinc/12/83/42/626128342.db2.gz WEDWGGVFDCEEEN-DKUMPPAJSA-N 2 0 251.418 1.591 10 0 CDAERP COCC[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)CC(C)C ZINC000903884564 626133086 /nfs/dbraw/zinc/13/30/86/626133086.db2.gz CUZKDDUHGLGDIR-AWEZNQCLSA-N 2 0 295.431 1.307 10 0 CDAERP COCC[N@H+](CC(C)C)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903887054 626133876 /nfs/dbraw/zinc/13/38/76/626133876.db2.gz YERHTXXQQLYCKD-OAHLLOKOSA-N 2 0 296.459 1.450 10 0 CDAERP CC1(C)CN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)CCS1 ZINC000903896264 626136253 /nfs/dbraw/zinc/13/62/53/626136253.db2.gz UQMZAIYDYBMMAG-GFCCVEGCSA-N 2 0 295.456 1.530 10 0 CDAERP CO[C@@H]1C[N@H+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)CC[C@H]1C ZINC000903911083 626144048 /nfs/dbraw/zinc/14/40/48/626144048.db2.gz WIBRDKWIBYPSTN-XNRPHZJLSA-N 2 0 294.443 1.203 10 0 CDAERP NC[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCC1 ZINC000903918600 626146011 /nfs/dbraw/zinc/14/60/11/626146011.db2.gz CJVHRPLTHSVQTI-FBAPMCOASA-N 2 0 251.418 1.624 10 0 CDAERP C[C@@H](CO)[N@H+](CC1CCC1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903928153 626150086 /nfs/dbraw/zinc/15/00/86/626150086.db2.gz WNIATLRVHKSRPY-WWTUQBGBSA-N 2 0 266.429 2.000 10 0 CDAERP O=C1[C@@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1C1CCC1 ZINC000903936368 626154292 /nfs/dbraw/zinc/15/42/92/626154292.db2.gz ZXOKUMUSFNDSEU-FLTXBFBQSA-N 2 0 277.412 1.260 10 0 CDAERP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000903917873 626157179 /nfs/dbraw/zinc/15/71/79/626157179.db2.gz OBTAYPRLWHYIIH-UYTSQGDYSA-N 3 0 263.429 1.593 10 0 CDAERP COC[C@H]([NH2+]C[C@H]([NH3+])CC(C)C)[C@H]1CCCOC1 ZINC000903959959 626159863 /nfs/dbraw/zinc/15/98/63/626159863.db2.gz SVTJZNIZQJVYHY-MJBXVCDLSA-N 2 0 258.406 1.391 10 0 CDAERP C[C@@H]1C[C@H](CN2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)CC[NH2+]1 ZINC000903983208 626168061 /nfs/dbraw/zinc/16/80/61/626168061.db2.gz CQWIQEUNIIUQMH-WISYIIOYSA-N 2 0 279.350 1.586 10 0 CDAERP COC(=O)c1cc(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)oc1C ZINC000903974732 626169361 /nfs/dbraw/zinc/16/93/61/626169361.db2.gz QYQYJBRRMSOION-ZYHUDNBSSA-N 2 0 280.368 1.710 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC1(OC)CCCC1)C2 ZINC000903977762 626169854 /nfs/dbraw/zinc/16/98/54/626169854.db2.gz YUFQDRHWSHFSIY-ZENOOKHLSA-N 2 0 296.411 1.158 10 0 CDAERP C[C@@H]1C[N@H+](Cc2nc3c(s2)C[NH2+]CC3)C[C@H]1CC[NH3+] ZINC000903978585 626170023 /nfs/dbraw/zinc/17/00/23/626170023.db2.gz SMKJMIZHOUKIBL-GHMZBOCLSA-N 3 0 280.441 1.206 10 0 CDAERP CC(C)N(C)c1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cn1 ZINC000903967481 626172222 /nfs/dbraw/zinc/17/22/22/626172222.db2.gz JXXHBBCUJYIMRY-HIFRSBDPSA-N 2 0 276.428 1.871 10 0 CDAERP C[NH+](C)[C@H](CNC(=[NH2+])NC[C@H]1CCCS1)C1CC1 ZINC000905043144 626382142 /nfs/dbraw/zinc/38/21/42/626382142.db2.gz TUWPWNIWYFGYBN-VXGBXAGGSA-N 2 0 270.446 1.336 10 0 CDAERP CC1(C)CCC[N@@H+]1CCNC(=[NH2+])NC[C@H]1CCCS1 ZINC000905042768 626382222 /nfs/dbraw/zinc/38/22/22/626382222.db2.gz HDLBMQCSPGXUHU-GFCCVEGCSA-N 2 0 284.473 1.870 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](CNC(=[NH2+])NC[C@@H]2CCCS2)C1 ZINC000905049316 626386113 /nfs/dbraw/zinc/38/61/13/626386113.db2.gz QRWJCZLQELJINL-KBPBESRZSA-N 2 0 298.500 1.974 10 0 CDAERP [NH3+]CCCCCc1nc(CC2CC[NH2+]CC2)no1 ZINC000905314409 626744163 /nfs/dbraw/zinc/74/41/63/626744163.db2.gz PLLLNNSXYQGVME-UHFFFAOYSA-N 2 0 252.362 1.283 10 0 CDAERP C[C@@H](Cc1nc(CC2CC[NH2+]CC2)no1)[C@@H]1CCC[NH2+]C1 ZINC000905317026 626745602 /nfs/dbraw/zinc/74/56/02/626745602.db2.gz DUKXNMUJATXTHY-GXTWGEPZSA-N 2 0 292.427 1.790 10 0 CDAERP C[NH+](C)CCc1ccccc1NC(=O)C12CC[NH+](CC1)C2 ZINC000907613952 627761485 /nfs/dbraw/zinc/76/14/85/627761485.db2.gz JJHTZRODZCCSFV-UHFFFAOYSA-N 2 0 287.407 1.825 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)C1 ZINC000911582397 629339311 /nfs/dbraw/zinc/33/93/11/629339311.db2.gz PNKYSPREZUGSOV-HRCADAONSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000913283169 630434091 /nfs/dbraw/zinc/43/40/91/630434091.db2.gz NODMBTSRCCNZGA-FSDCSDTHSA-N 2 0 293.455 1.659 10 0 CDAERP CC(=O)NCCCCC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000929764540 630850725 /nfs/dbraw/zinc/85/07/25/630850725.db2.gz WLCYQYFYNOZCFU-QGZVFWFLSA-N 2 0 295.471 1.957 10 0 CDAERP CN(C)c1cc[nH+]c(CNC(=O)NC[C@@H]2CCC[N@@H+]2C)c1 ZINC000914391506 631402031 /nfs/dbraw/zinc/40/20/31/631402031.db2.gz JIHKYYPBPUVKCV-AWEZNQCLSA-N 2 0 291.399 1.041 10 0 CDAERP CC[N@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001690983189 1158513615 /nfs/dbraw/zinc/51/36/15/1158513615.db2.gz AEMPKNNGFCZCMZ-OLZOCXBDSA-N 2 0 253.390 1.071 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001266530189 1158593811 /nfs/dbraw/zinc/59/38/11/1158593811.db2.gz YSSXYIBFEPAVOP-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001666902003 1158760394 /nfs/dbraw/zinc/76/03/94/1158760394.db2.gz AETFOITVEDNUKE-OLZOCXBDSA-N 2 0 255.406 1.316 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H]([N@H+](C)CC2CC2)C1 ZINC001690819331 1158778976 /nfs/dbraw/zinc/77/89/76/1158778976.db2.gz YOWHDIPLZCCUBE-AWEZNQCLSA-N 2 0 267.417 1.271 10 0 CDAERP C[NH+](C)C1(C(=O)NCC[NH+]2CCCC2)CCCC1 ZINC001623590100 1165780588 /nfs/dbraw/zinc/78/05/88/1165780588.db2.gz ORXCSEDRLWXRGZ-UHFFFAOYSA-N 2 0 253.390 1.073 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC001632386635 1166344851 /nfs/dbraw/zinc/34/48/51/1166344851.db2.gz PWSBQURJMSOMKE-RYUDHWBXSA-N 2 0 255.406 1.173 10 0 CDAERP CC[NH+]1CCC(NC(=O)CC[N@@H+]2CC[C@@H](F)C2)CC1 ZINC001361731867 1167520551 /nfs/dbraw/zinc/52/05/51/1167520551.db2.gz NRLQEVNYDSUEJZ-GFCCVEGCSA-N 2 0 271.380 1.021 10 0 CDAERP C[N@H+](CCCN1CC[NH+](C)CC1)CC1CCC(O)CC1 ZINC001645946462 1167582483 /nfs/dbraw/zinc/58/24/83/1167582483.db2.gz IYDNEPLNQPPHFO-UHFFFAOYSA-N 2 0 283.460 1.107 10 0 CDAERP CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)CC[NH+](C)C)C1 ZINC001542407932 1167934306 /nfs/dbraw/zinc/93/43/06/1167934306.db2.gz WOPKJCBUXCRCQG-UONOGXRCSA-N 2 0 269.433 1.422 10 0 CDAERP CCOCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001566773897 1168415262 /nfs/dbraw/zinc/41/52/62/1168415262.db2.gz XVRIPUWNSAXXLJ-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001568075616 1169132841 /nfs/dbraw/zinc/13/28/41/1169132841.db2.gz FDSIAIONJHBIRR-CABCVRRESA-N 2 0 281.444 1.566 10 0 CDAERP CCN(CC[NH2+]CC1CC1)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001568749732 1169460953 /nfs/dbraw/zinc/46/09/53/1169460953.db2.gz PNDZMKPNTBULMC-AWEZNQCLSA-N 2 0 269.433 1.421 10 0 CDAERP CC[C@@H](C(=O)N(CC)CC[NH2+]Cc1cccnc1)[NH+](C)C ZINC001568776013 1169471971 /nfs/dbraw/zinc/47/19/71/1169471971.db2.gz SXJUGYVSMJJVPT-HNNXBMFYSA-N 2 0 292.427 1.360 10 0 CDAERP CN(C)[C@@H](CC[NH2+]C1CCC(C[NH3+])CC1)C(F)(F)F ZINC001650036494 1169634810 /nfs/dbraw/zinc/63/48/10/1169634810.db2.gz JESYTZAWFMKJSG-MCIGGMRASA-N 2 0 281.366 1.976 10 0 CDAERP CC1CC(C[NH2+]CCCN(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001569214382 1169722523 /nfs/dbraw/zinc/72/25/23/1169722523.db2.gz FACZJKPAVXCQPV-GPANFISMSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001569845454 1170015614 /nfs/dbraw/zinc/01/56/14/1170015614.db2.gz XVEZNYLGRMJVMT-KBPBESRZSA-N 2 0 281.444 1.422 10 0 CDAERP CCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH+](C)C)CC1 ZINC000066395823 1171380358 /nfs/dbraw/zinc/38/03/58/1171380358.db2.gz LNHGOBWDOUCEFJ-HNNXBMFYSA-N 2 0 281.444 1.804 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1C[NH+](C)CC1(C)C ZINC001652492478 1171444938 /nfs/dbraw/zinc/44/49/38/1171444938.db2.gz YPRAZSUUJKVTEN-XQQFMLRXSA-N 2 0 267.417 1.316 10 0 CDAERP CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001656453972 1171826265 /nfs/dbraw/zinc/82/62/65/1171826265.db2.gz PQNMXTRRENHKGL-GJZGRUSLSA-N 2 0 293.455 1.709 10 0 CDAERP CC[NH2+]CC[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001668262818 1173388481 /nfs/dbraw/zinc/38/84/81/1173388481.db2.gz GOUAZXDYVLMXRM-CYBMUJFWSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)=CC[NH2+]C/C=C/CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001669151024 1173510707 /nfs/dbraw/zinc/51/07/07/1173510707.db2.gz MTBHHDCWDIKOHM-MVGZEHJDSA-N 2 0 281.444 1.801 10 0 CDAERP C[C@@H](C[NH2+]CC1=CCCCC1)NC(=O)CC[NH+](C)C ZINC001669658145 1173582727 /nfs/dbraw/zinc/58/27/27/1173582727.db2.gz YETWODBGONZKPB-ZDUSSCGKSA-N 2 0 267.417 1.533 10 0 CDAERP CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001675903429 1174162924 /nfs/dbraw/zinc/16/29/24/1174162924.db2.gz MRRKBMXBKSMGSQ-HZSPNIEDSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@H](CCC[NH2+]CCCF)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001676018185 1174174256 /nfs/dbraw/zinc/17/42/56/1174174256.db2.gz HZDYWWAYNWYBLJ-CHWSQXEVSA-N 2 0 273.396 1.172 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCC1CC1 ZINC001690576968 1175509855 /nfs/dbraw/zinc/50/98/55/1175509855.db2.gz NRFORILISNQDKB-YRGRVCCFSA-N 2 0 267.417 1.221 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]C(C)C ZINC001698823392 1175950829 /nfs/dbraw/zinc/95/08/29/1175950829.db2.gz GBAOXKFPRKVUKR-UONOGXRCSA-N 2 0 269.433 1.706 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)CC[NH2+]CCF)C1 ZINC001699129722 1176105533 /nfs/dbraw/zinc/10/55/33/1176105533.db2.gz IYWNLLAZYKQAQI-KGLIPLIRSA-N 2 0 287.423 1.562 10 0 CDAERP C[C@H](C[NH2+]CCCC1CCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001699385346 1176343301 /nfs/dbraw/zinc/34/33/01/1176343301.db2.gz LNMHQZKAAVDFQB-CQSZACIVSA-N 2 0 293.455 1.757 10 0 CDAERP CCC[N@H+](C)C[C@@H](C)NC(=O)CC[C@H]1CCC[NH+]1C ZINC001699454328 1176419782 /nfs/dbraw/zinc/41/97/82/1176419782.db2.gz ORUGZIXLXOJLOZ-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP CCC[NH2+]C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1CC1 ZINC001699594362 1176491322 /nfs/dbraw/zinc/49/13/22/1176491322.db2.gz YETVPKQTZIQRCU-QWHCGFSZSA-N 2 0 255.406 1.221 10 0 CDAERP CC[NH2+]C[C@]1(C)CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001699853064 1176657176 /nfs/dbraw/zinc/65/71/76/1176657176.db2.gz GZEQUQPVWMAQIR-HNNXBMFYSA-N 2 0 269.433 1.566 10 0 CDAERP COCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001700172924 1176780293 /nfs/dbraw/zinc/78/02/93/1176780293.db2.gz UAMYAZULEJWFQX-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP C[C@@H](C(=O)NC1CC(C[NH2+]CCF)C1)[NH+]1CCCCCC1 ZINC001700379404 1176884001 /nfs/dbraw/zinc/88/40/01/1176884001.db2.gz WYUISMIAMVDPTK-NFOMZHRRSA-N 2 0 299.434 1.705 10 0 CDAERP C[C@@H]([NH2+]CCCF)[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001700419408 1176918873 /nfs/dbraw/zinc/91/88/73/1176918873.db2.gz WOQUZAWNFUVJFG-OLZOCXBDSA-N 2 0 289.439 1.807 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001700845598 1177163764 /nfs/dbraw/zinc/16/37/64/1177163764.db2.gz KBPMHQXROKHSPX-KGLIPLIRSA-N 2 0 281.444 1.850 10 0 CDAERP CC(C)[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001701000561 1177233638 /nfs/dbraw/zinc/23/36/38/1177233638.db2.gz QOMOUTGIESIOHH-QWHCGFSZSA-N 2 0 269.433 1.467 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)CC ZINC001707377849 1178002605 /nfs/dbraw/zinc/00/26/05/1178002605.db2.gz LKLZHKJRBHGMFA-CYBMUJFWSA-N 2 0 255.406 1.319 10 0 CDAERP CC[NH+]1CCC(C[NH2+]CCc2ccnn2C)CC1 ZINC000230754144 1178156318 /nfs/dbraw/zinc/15/63/18/1178156318.db2.gz VDHTZUMAHCULRL-UHFFFAOYSA-N 2 0 250.390 1.284 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159842361 1178249832 /nfs/dbraw/zinc/24/98/32/1178249832.db2.gz MTYMGSPNRJEELH-HUUCEWRRSA-N 2 0 279.428 1.495 10 0 CDAERP CCCCC[NH2+]C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001713360226 1178519417 /nfs/dbraw/zinc/51/94/17/1178519417.db2.gz FCJUPVAFLRVLMN-OAHLLOKOSA-N 2 0 293.455 1.711 10 0 CDAERP C[NH+](C)CCCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCF ZINC001713940471 1178869963 /nfs/dbraw/zinc/86/99/63/1178869963.db2.gz GGSLGDTXNGHMOL-KBPBESRZSA-N 2 0 285.407 1.363 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001714022009 1178932745 /nfs/dbraw/zinc/93/27/45/1178932745.db2.gz ZUJLFHWNMXIBSS-ZQDZILKHSA-N 2 0 281.444 1.896 10 0 CDAERP CCCC[NH2+][C@H](CC)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001714123122 1178979577 /nfs/dbraw/zinc/97/95/77/1178979577.db2.gz URPUSSLHUYQHJE-QWHCGFSZSA-N 2 0 255.406 1.223 10 0 CDAERP CC[N@H+](C)CCC(=O)NC1(C[NH2+]CCF)CCCC1 ZINC001714145637 1178990714 /nfs/dbraw/zinc/99/07/14/1178990714.db2.gz ZXQZASWDEHHIGM-UHFFFAOYSA-N 2 0 273.396 1.316 10 0 CDAERP CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]CCCF)[NH+]1CCCC1 ZINC001714310588 1179079376 /nfs/dbraw/zinc/07/93/76/1179079376.db2.gz VEJHLXGECFWMIM-UONOGXRCSA-N 2 0 287.423 1.561 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001714362251 1179104676 /nfs/dbraw/zinc/10/46/76/1179104676.db2.gz RSEXKPMIUIRBEY-KBPBESRZSA-N 2 0 299.434 1.514 10 0 CDAERP CC/C=C\CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001714450054 1179145224 /nfs/dbraw/zinc/14/52/24/1179145224.db2.gz HRFOMNPUXBEMKN-RWCKICOTSA-N 2 0 281.444 1.636 10 0 CDAERP C[C@H](C[NH2+]CCCO)N(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001715364798 1179643541 /nfs/dbraw/zinc/64/35/41/1179643541.db2.gz DNZXUYAMIUWYPO-HUUCEWRRSA-N 2 0 299.459 1.070 10 0 CDAERP CCCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CC[NH+](C)C ZINC001715555762 1179714867 /nfs/dbraw/zinc/71/48/67/1179714867.db2.gz ILDNHCMFRPSKLV-KGLIPLIRSA-N 2 0 269.433 1.613 10 0 CDAERP C[C@@H](CC[NH2+]C/C=C\Cl)NC(=O)C1(C[NH+](C)C)CC1 ZINC001715673853 1179760176 /nfs/dbraw/zinc/76/01/76/1179760176.db2.gz ISXQNVQPRDQGBR-LDJOOVGUSA-N 2 0 287.835 1.565 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]C/C=C/Cl ZINC001715913123 1179909972 /nfs/dbraw/zinc/90/99/72/1179909972.db2.gz NLUSSWZEXGYUDY-SHCYCYOCSA-N 2 0 299.846 1.875 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001715990994 1179969678 /nfs/dbraw/zinc/96/96/78/1179969678.db2.gz NLKAHCNBIJJYPG-AVGNSLFASA-N 2 0 273.396 1.313 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CCF ZINC001716074634 1180031805 /nfs/dbraw/zinc/03/18/05/1180031805.db2.gz BXUCYZJYNXRAIG-QWHCGFSZSA-N 2 0 273.396 1.171 10 0 CDAERP C[C@@H](CC[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001716197420 1180092930 /nfs/dbraw/zinc/09/29/30/1180092930.db2.gz ZZBXBRDHABPUTN-UONOGXRCSA-N 2 0 283.460 1.859 10 0 CDAERP CCCC[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001716253958 1180121805 /nfs/dbraw/zinc/12/18/05/1180121805.db2.gz NOHCJZXWRINHDG-CYBMUJFWSA-N 2 0 255.406 1.176 10 0 CDAERP CC(C)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001716293545 1180146017 /nfs/dbraw/zinc/14/60/17/1180146017.db2.gz GXNXFMDZFCXQPL-YVACAVLKSA-N 2 0 281.444 1.777 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)NC/C=C/C[NH2+]CC2CC2)C1 ZINC001716333776 1180159168 /nfs/dbraw/zinc/15/91/68/1180159168.db2.gz DXRQSNZEORDYKD-CWDCEQMOSA-N 2 0 293.455 1.780 10 0 CDAERP CCC[NH2+]C[C@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CCO1 ZINC001717173034 1180560753 /nfs/dbraw/zinc/56/07/53/1180560753.db2.gz ULQLPUWAHTUOMF-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP COCCCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001717292881 1180607044 /nfs/dbraw/zinc/60/70/44/1180607044.db2.gz CGIRIVAWZBEYIE-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)[NH2+][C@@H](C)[C@@H](C)NC(=O)CCc1c[nH]cn1 ZINC001717412998 1180659761 /nfs/dbraw/zinc/65/97/61/1180659761.db2.gz NMKUEMJBRQBENV-WDEREUQCSA-N 2 0 252.362 1.234 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001717424539 1180665442 /nfs/dbraw/zinc/66/54/42/1180665442.db2.gz HKEAKOUOLWAJON-KBPBESRZSA-N 2 0 281.444 1.777 10 0 CDAERP C[NH+](C)Cc1cccc(CNC(=O)[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000164420408 1180686588 /nfs/dbraw/zinc/68/65/88/1180686588.db2.gz ABAOHSCIAKZVLM-JKSUJKDBSA-N 2 0 289.423 1.882 10 0 CDAERP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH+](C)CC1CC1 ZINC001717494003 1180708134 /nfs/dbraw/zinc/70/81/34/1180708134.db2.gz DPYMXKFNRGSMPA-OCCSQVGLSA-N 2 0 267.417 1.175 10 0 CDAERP CCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001717822180 1180880190 /nfs/dbraw/zinc/88/01/90/1180880190.db2.gz ONPWZRYJJWWQPP-ZIAGYGMSSA-N 2 0 281.444 1.707 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CCCOC)[C@@H]1C ZINC001717859723 1180897692 /nfs/dbraw/zinc/89/76/92/1180897692.db2.gz DOVSPRRZSDUSMT-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCCC[C@@H]1[NH3+])[N@H+](C)C1CC1 ZINC000167340739 1181137388 /nfs/dbraw/zinc/13/73/88/1181137388.db2.gz WCNBDDZTZIUJSE-WXHSDQCUSA-N 2 0 253.390 1.103 10 0 CDAERP CN(CCC[NH2+]CCF)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001723039910 1181513692 /nfs/dbraw/zinc/51/36/92/1181513692.db2.gz PRRHBZRNBZGVPD-OAHLLOKOSA-N 2 0 299.434 1.801 10 0 CDAERP CN(CCC[NH2+]CCCF)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001723150872 1181522120 /nfs/dbraw/zinc/52/21/20/1181522120.db2.gz WJDBFJBNENHPAX-CABCVRRESA-N 2 0 299.434 1.801 10 0 CDAERP C[N@H+](CC(=O)N1CC[C@@H](CC[NH2+]CCCF)C1)C1CCC1 ZINC001724717330 1181733160 /nfs/dbraw/zinc/73/31/60/1181733160.db2.gz VNAFRMQIVSOIIN-CQSZACIVSA-N 2 0 299.434 1.659 10 0 CDAERP CCCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C ZINC001725678845 1182094352 /nfs/dbraw/zinc/09/43/52/1182094352.db2.gz ISHGBFBXFJRNNM-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP COCC[N@H+](C)CCCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001731271230 1182286881 /nfs/dbraw/zinc/28/68/81/1182286881.db2.gz LHCYRAJNZHUAMM-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CCCC[NH2+]C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001731668984 1182511215 /nfs/dbraw/zinc/51/12/15/1182511215.db2.gz LDBUKMBHBVDLPX-CQSZACIVSA-N 2 0 281.444 1.566 10 0 CDAERP CC1CCC(C[NH2+]CCN(C)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001731899805 1182665650 /nfs/dbraw/zinc/66/56/50/1182665650.db2.gz ZGFXPLNJLUCUAC-UYSNPLJNSA-N 2 0 295.471 1.955 10 0 CDAERP CN(CC[NH2+]CCC1CC1)C(=O)CC[NH+]1CCCCC1 ZINC001731987841 1182715036 /nfs/dbraw/zinc/71/50/36/1182715036.db2.gz NIPGYXJJGLIPKL-UHFFFAOYSA-N 2 0 281.444 1.711 10 0 CDAERP C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1[NH2+]CCCF ZINC001732491262 1182988489 /nfs/dbraw/zinc/98/84/89/1182988489.db2.gz ZBOPMFUDNAHEOO-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+]C/C=C\Cl)CC[N@@H+]1C ZINC001732853061 1183159382 /nfs/dbraw/zinc/15/93/82/1183159382.db2.gz OWVIGFAYKCMOCR-UBXOTFOQSA-N 2 0 285.819 1.341 10 0 CDAERP C[NH+](C)C1(C(=O)NC/C=C\C[NH2+]CCC2CC2)CCC1 ZINC001732860071 1183162590 /nfs/dbraw/zinc/16/25/90/1183162590.db2.gz HAMCRKJAYQLCBR-ARJAWSKDSA-N 2 0 279.428 1.533 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC/C=C/C[NH2+]CC1CCCC1 ZINC001732943905 1183193897 /nfs/dbraw/zinc/19/38/97/1183193897.db2.gz RNZZWWOBIMCVKF-VOTSOKGWSA-N 2 0 281.444 1.779 10 0 CDAERP C[C@H](C[NH2+]CC1=CCCCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001732955623 1183203504 /nfs/dbraw/zinc/20/35/04/1183203504.db2.gz UWWZCDSSEULLGZ-IIAWOOMASA-N 2 0 293.455 1.921 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001732977756 1183215234 /nfs/dbraw/zinc/21/52/34/1183215234.db2.gz HMKKCAZFMWTNGS-KGLIPLIRSA-N 2 0 269.433 1.469 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(C)C)CC[N@@H+]1C ZINC001732996258 1183227921 /nfs/dbraw/zinc/22/79/21/1183227921.db2.gz SIGUXWFIUNUSGN-MELADBBJSA-N 2 0 269.433 1.467 10 0 CDAERP CN(CCC[NH2+]Cc1cncs1)C(=O)CC[NH+](C)C ZINC001733123527 1183298889 /nfs/dbraw/zinc/29/88/89/1183298889.db2.gz JVVNZYGGZYKRJT-UHFFFAOYSA-N 2 0 284.429 1.033 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001733182600 1183320548 /nfs/dbraw/zinc/32/05/48/1183320548.db2.gz HTGYLQDKTADREX-GDBMZVCRSA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)CCC[NH2+][C@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001734352255 1183744286 /nfs/dbraw/zinc/74/42/86/1183744286.db2.gz ZUBXDJCFJAEUHX-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP COCCCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001734499147 1183801014 /nfs/dbraw/zinc/80/10/14/1183801014.db2.gz AORKXWXNHBOYOC-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP CN(Cc1ccccc1)C[C@@H](O)C[N@H+](C)C[C@@H]1CCOC1 ZINC000304767199 1186631901 /nfs/dbraw/zinc/63/19/01/1186631901.db2.gz VYDCVZMUEREASM-DLBZAZTESA-N 2 0 292.423 1.448 10 0 CDAERP C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+]1CCCCCC1 ZINC000928440096 743415277 /nfs/dbraw/zinc/41/52/77/743415277.db2.gz ASKWYTITPLGECY-MGPQQGTHSA-N 2 0 267.417 1.460 10 0 CDAERP COc1c(C)cnc(CNC(=O)N[C@@H](C)[C@@H](C)[NH3+])c1C ZINC000841763463 743469378 /nfs/dbraw/zinc/46/93/78/743469378.db2.gz XZHFCENIMOEKRA-MNOVXSKESA-N 2 0 280.372 1.242 10 0 CDAERP C[C@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)[C@]12C[C@H]1CCCC2 ZINC000872220862 742858012 /nfs/dbraw/zinc/85/80/12/742858012.db2.gz NYOXZMCNCZNBLE-YVSFHVDLSA-N 2 0 295.471 1.153 10 0 CDAERP Cc1ccccc1[C@H](O)C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925480894 742859995 /nfs/dbraw/zinc/85/99/95/742859995.db2.gz HPDODIWWANTISM-QLFBSQMISA-N 2 0 260.381 1.888 10 0 CDAERP CC(C)(O)CC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925647609 742864535 /nfs/dbraw/zinc/86/45/35/742864535.db2.gz ZBIHJEVHIJGLDA-KBPBESRZSA-N 2 0 254.418 1.905 10 0 CDAERP C[N@@H+]1C[C@@H]2C[NH+](CCCc3ccncc3)C[C@]2(C)C1 ZINC000933737210 742873412 /nfs/dbraw/zinc/87/34/12/742873412.db2.gz MQJKQCXEDIMERD-CVEARBPZSA-N 2 0 259.397 1.898 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@@H]2CCc3c2cc(F)cc3F)CC1 ZINC000925816419 742876258 /nfs/dbraw/zinc/87/62/58/742876258.db2.gz XTRFKKSTWPWGKU-MRXNPFEDSA-N 2 0 295.377 1.965 10 0 CDAERP C[C@@H](C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C(C)(C)C ZINC000866711142 742878861 /nfs/dbraw/zinc/87/88/61/742878861.db2.gz CTUGQCQXHRFCIV-FQUUOJAGSA-N 2 0 295.427 1.536 10 0 CDAERP CCn1nncc1CON=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871784737 742881365 /nfs/dbraw/zinc/88/13/65/742881365.db2.gz JTCXFMYVFCZUKX-YOGCLGLASA-N 2 0 292.387 1.169 10 0 CDAERP C[C@H](CN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)[N@H+](C)C1CC1 ZINC000925497372 743093445 /nfs/dbraw/zinc/09/34/45/743093445.db2.gz VXLOZOFGPXAWGQ-JHJVBQTASA-N 2 0 253.434 1.965 10 0 CDAERP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCOC23CCOCC3)C1 ZINC000926574045 743098514 /nfs/dbraw/zinc/09/85/14/743098514.db2.gz TZIWUHQEAPFQJM-LSDHHAIUSA-N 2 0 282.428 1.646 10 0 CDAERP CC(C)CN1CCO[C@H](C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925512256 743099673 /nfs/dbraw/zinc/09/96/73/743099673.db2.gz BSKNOOPCTUDXCV-HRCADAONSA-N 2 0 297.487 1.839 10 0 CDAERP CC(=O)NCCCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C ZINC000931623324 743151153 /nfs/dbraw/zinc/15/11/53/743151153.db2.gz YZIHPUZISRWFSP-GJZGRUSLSA-N 2 0 267.417 1.461 10 0 CDAERP C(CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)CCN1CC[NH2+]CC1 ZINC000925842325 743177709 /nfs/dbraw/zinc/17/77/09/743177709.db2.gz LONNFXLMBTYRQZ-IXDOHACOSA-N 3 0 294.487 1.040 10 0 CDAERP CC(C)CC[NH+]1CCC([NH2+][C@@H](C)Cn2cncn2)CC1 ZINC000924850897 743180819 /nfs/dbraw/zinc/18/08/19/743180819.db2.gz WLQLQYOUKVHQEI-AWEZNQCLSA-N 2 0 279.432 1.767 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2CCCC3)C1 ZINC000715365482 743219391 /nfs/dbraw/zinc/21/93/91/743219391.db2.gz IGFKFRZINXEOTC-IJEWVQPXSA-N 2 0 279.428 1.367 10 0 CDAERP C[C@H]1CCC[N@H+](CCc2ccc(C(N)=O)cc2)[C@@H]1CC[NH3+] ZINC000866667609 743234388 /nfs/dbraw/zinc/23/43/88/743234388.db2.gz RYOWUVXRQMAQRS-XJKSGUPXSA-N 2 0 289.423 1.777 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@@H]1CC[C@H](C(F)(F)F)O1)C2 ZINC000721443585 743327327 /nfs/dbraw/zinc/32/73/27/743327327.db2.gz AZWFMMOGXKXFTG-KZZRWZIVSA-N 2 0 278.318 1.908 10 0 CDAERP CC(C)CC[C@@H](O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000923367685 743332346 /nfs/dbraw/zinc/33/23/46/743332346.db2.gz WLXUDLQJHLNVID-CABCVRRESA-N 2 0 254.418 1.859 10 0 CDAERP CC1(C)[C@@H]([NH2+]C[C@H]2CCCOC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925485806 743373206 /nfs/dbraw/zinc/37/32/06/743373206.db2.gz OURQHNOWMJDJIB-MQYQWHSLSA-N 2 0 252.402 1.779 10 0 CDAERP CC(C)C[C@@H](CN[C@H]1CC[NH2+]C12CCC2)[NH+](C)C ZINC000925535651 743423568 /nfs/dbraw/zinc/42/35/68/743423568.db2.gz IGUAYPCXGGIZMZ-KBPBESRZSA-N 2 0 253.434 1.837 10 0 CDAERP CCN(C(=O)C1CC[NH+](C2CC2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000855361476 743427566 /nfs/dbraw/zinc/42/75/66/743427566.db2.gz VRWQGOHZEZYQNU-OAHLLOKOSA-N 2 0 279.428 1.413 10 0 CDAERP C[C@@H]1CCOCC[NH+]1C/C=C\C[N@H+]1CCOCC[C@@H]1C ZINC000775569880 743433608 /nfs/dbraw/zinc/43/36/08/743433608.db2.gz GKEHOOKVDMWZFQ-SSGMOAHOSA-N 2 0 282.428 1.764 10 0 CDAERP C(CN1CC[C@H]2CC[C@@H](C1)[NH2+]2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923293493 743493851 /nfs/dbraw/zinc/49/38/51/743493851.db2.gz RQBYOWWVUMGDJU-USNXZVQNSA-N 2 0 263.429 1.733 10 0 CDAERP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H]2C[C@H]3COC[C@H]3O2)C1 ZINC000929764510 743495244 /nfs/dbraw/zinc/49/52/44/743495244.db2.gz WGTWHRMINBNZPC-LUKYLMHMSA-N 2 0 294.439 1.454 10 0 CDAERP CC1CC[NH+](CCN2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)CC1 ZINC000931311622 743568050 /nfs/dbraw/zinc/56/80/50/743568050.db2.gz OFPVDOPFIMNCMV-IAGOWNOFSA-N 2 0 279.472 1.992 10 0 CDAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857866520 743611895 /nfs/dbraw/zinc/61/18/95/743611895.db2.gz SXIVWFRLAIQUSV-UKRRQHHQSA-N 2 0 291.443 1.403 10 0 CDAERP CC1(C)CCNCC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000866697217 743623890 /nfs/dbraw/zinc/62/38/90/743623890.db2.gz JGHMBPZZTIGPJM-UHFFFAOYSA-N 2 0 253.434 1.840 10 0 CDAERP CC(C)COC[C@@H](O)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000923389487 744975297 /nfs/dbraw/zinc/97/52/97/744975297.db2.gz RHPHEDTXTQTGLQ-SJORKVTESA-N 2 0 298.471 1.732 10 0 CDAERP CCN1CC[NH+](CCCC[NH2+][C@H](C)C(C)(C)CO)CC1 ZINC000924663119 744979096 /nfs/dbraw/zinc/97/90/96/744979096.db2.gz YFJBAIOZRHNDJG-OAHLLOKOSA-N 2 0 285.476 1.401 10 0 CDAERP CNC(=O)C1CCC([NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925618805 745009844 /nfs/dbraw/zinc/00/98/44/745009844.db2.gz YJLSZCJPYPTBAZ-FKZOYECMSA-N 2 0 281.444 1.787 10 0 CDAERP CCCn1nccc1NC(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923502442 745014770 /nfs/dbraw/zinc/01/47/70/745014770.db2.gz XRRITBDFAIQWJF-STQMWFEESA-N 2 0 293.415 1.148 10 0 CDAERP CC(C)OCC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000923364033 745015814 /nfs/dbraw/zinc/01/58/14/745015814.db2.gz ICQCNCDAQQCBTO-OWCLPIDISA-N 2 0 284.444 1.626 10 0 CDAERP Cc1ncsc1CC[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923452428 745237994 /nfs/dbraw/zinc/23/79/94/745237994.db2.gz UWOAIVQSNCRVMQ-ZDUSSCGKSA-N 2 0 295.452 1.824 10 0 CDAERP C[C@@H]1[C@H](NC(=O)NC[C@H]2[NH+](C)CCCC2(C)C)CC[N@@H+]1C ZINC000922259467 745244269 /nfs/dbraw/zinc/24/42/69/745244269.db2.gz ZGJUYQNRAQRGNX-MGPQQGTHSA-N 2 0 296.459 1.499 10 0 CDAERP O=C(N1CC[C@]2(C1)CCC[NH2+]C2)C1([NH2+]C2CC2)CCC1 ZINC000852877418 745260071 /nfs/dbraw/zinc/26/00/71/745260071.db2.gz HHKIHOYNWJDIBJ-OAHLLOKOSA-N 2 0 277.412 1.263 10 0 CDAERP CC(C)C(=O)NCCC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925625033 745289596 /nfs/dbraw/zinc/28/95/96/745289596.db2.gz FYSWRJCDBQOCKH-NEPJUHHUSA-N 2 0 253.390 1.008 10 0 CDAERP CC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)[C@@H]1CCCOC1 ZINC000872033164 745316900 /nfs/dbraw/zinc/31/69/00/745316900.db2.gz GATALIXMEFYXEX-OAGGEKHMSA-N 2 0 283.460 1.417 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H](CO)Cc1ccc(F)cc1 ZINC000926270984 745321736 /nfs/dbraw/zinc/32/17/36/745321736.db2.gz FUJQGHWXNXCCDS-NUCGDHGJSA-N 2 0 292.398 1.659 10 0 CDAERP C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C1 ZINC000868182768 745323382 /nfs/dbraw/zinc/32/33/82/745323382.db2.gz XDQRXGABDCMFAE-TUKIKUTGSA-N 2 0 288.395 1.574 10 0 CDAERP CC[N@H+]1[C@H](C)CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C[C@@H]1C ZINC000880610466 745335626 /nfs/dbraw/zinc/33/56/26/745335626.db2.gz QYHPOZCPBFOTCS-XJFOESAGSA-N 2 0 267.417 1.268 10 0 CDAERP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000870867203 745378928 /nfs/dbraw/zinc/37/89/28/745378928.db2.gz HRZDLDUMOKOMQV-JBXGNFEISA-N 2 0 293.455 1.598 10 0 CDAERP CCO[C@@H](CC[NH+](C)C)CN[C@@H]1CC[NH2+]C12CCC2 ZINC000925542573 745401759 /nfs/dbraw/zinc/40/17/59/745401759.db2.gz PLIZTOFHJNKGHC-UONOGXRCSA-N 2 0 269.433 1.217 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000832238655 745430637 /nfs/dbraw/zinc/43/06/37/745430637.db2.gz GIBTZRUXTMOSEG-OAHLLOKOSA-N 2 0 293.455 1.948 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)CCCCCC[NH3+] ZINC000846690632 745451436 /nfs/dbraw/zinc/45/14/36/745451436.db2.gz DJXYFKCSSNVLNH-UHFFFAOYSA-N 2 0 277.412 1.931 10 0 CDAERP [NH3+][C@H](CCN[C@H]1C[C@H]([NH3+])C12CCC2)Cc1ccccc1 ZINC000925726388 745453302 /nfs/dbraw/zinc/45/33/02/745453302.db2.gz SISOXWMLWUBKLV-PMPSAXMXSA-N 3 0 273.424 1.806 10 0 CDAERP CC1(C)[C@H]([NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925833507 745521811 /nfs/dbraw/zinc/52/18/11/745521811.db2.gz SQTWXVGHRPNOPA-BYGOPZEFSA-N 2 0 280.412 1.157 10 0 CDAERP Cc1nccn1C[C@@H]1CCC[N@@H+]1CN1CCCC1=O ZINC000176077765 745610530 /nfs/dbraw/zinc/61/05/30/745610530.db2.gz UGYAHYXXVQBMLO-ZDUSSCGKSA-N 2 0 262.357 1.236 10 0 CDAERP C(C[NH2+][C@@H]1CC[NH2+]C12CCCC2)C[C@@H]1CCC[NH2+]1 ZINC000925712470 745624165 /nfs/dbraw/zinc/62/41/65/745624165.db2.gz VHAYHTAXKRZRSV-UONOGXRCSA-N 3 0 251.418 1.783 10 0 CDAERP C[C@H](NC[C@]12CCC[C@H]1[NH2+]CC2)c1c[nH+]ccc1N ZINC000925840093 745746421 /nfs/dbraw/zinc/74/64/21/745746421.db2.gz KMQCGPFJZLTNPW-NILFDRSVSA-N 2 0 260.385 1.677 10 0 CDAERP Cc1nccnc1C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923447638 745767405 /nfs/dbraw/zinc/76/74/05/745767405.db2.gz VHTWNBILBRTCHA-ZDUSSCGKSA-N 2 0 276.384 1.115 10 0 CDAERP C[C@@H](C[NH2+]CC1(O)CCCCC1)CN1CC[NH+](C)CC1 ZINC000819059379 745787274 /nfs/dbraw/zinc/78/72/74/745787274.db2.gz XMPQXEIURSXUME-HNNXBMFYSA-N 2 0 283.460 1.155 10 0 CDAERP C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)C(C)(C)n1cncn1 ZINC000925840480 745827815 /nfs/dbraw/zinc/82/78/15/745827815.db2.gz MEGKNMKLFGLGSJ-UMVBOHGHSA-N 2 0 277.416 1.524 10 0 CDAERP Cc1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000923490184 745835377 /nfs/dbraw/zinc/83/53/77/745835377.db2.gz BQQDNURPVNLXAA-OWCLPIDISA-N 2 0 292.423 1.651 10 0 CDAERP C[C@H]1CN(C(=[NH2+])NCCCCC[NH+]2CCCC2)CCO1 ZINC000849033758 745838546 /nfs/dbraw/zinc/83/85/46/745838546.db2.gz YJASLOHOKDTMRC-AWEZNQCLSA-N 2 0 282.432 1.498 10 0 CDAERP C[NH+](C)CC[C@@H](N[C@H]1CC[NH2+]C12CCC2)c1cccnc1 ZINC000925825959 745840272 /nfs/dbraw/zinc/84/02/72/745840272.db2.gz DCNDNHKIVVUONM-CVEARBPZSA-N 2 0 288.439 1.949 10 0 CDAERP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)c2ccc(F)cn2)CC1 ZINC000818989627 745856520 /nfs/dbraw/zinc/85/65/20/745856520.db2.gz AURSHYKEQSUQQP-MRXNPFEDSA-N 2 0 295.402 1.966 10 0 CDAERP OC1CC2(C[C@@H]2[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000724912182 745870782 /nfs/dbraw/zinc/87/07/82/745870782.db2.gz IASLZLCLZMKHIH-PCKAHOCUSA-N 2 0 273.380 1.553 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+][C@H](CO)Cc2c[nH]c3ccccc23)C12CCC2 ZINC000925610693 745884162 /nfs/dbraw/zinc/88/41/62/745884162.db2.gz HAKFAXYDBBQNBL-XKQJLSEDSA-N 2 0 299.418 1.931 10 0 CDAERP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000872035844 745884397 /nfs/dbraw/zinc/88/43/97/745884397.db2.gz ZDQODDCKBMFYDV-HOTGVXAUSA-N 2 0 295.471 1.704 10 0 CDAERP CCn1nc(C)c(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)n1 ZINC000848562364 745889194 /nfs/dbraw/zinc/88/91/94/745889194.db2.gz IKNQNPFGCIXDNH-TXEJJXNPSA-N 2 0 251.378 1.036 10 0 CDAERP C(C[NH2+]C1CC1)C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000923308911 745897710 /nfs/dbraw/zinc/89/77/10/745897710.db2.gz JLHBETCPMZHNFO-INIZCTEOSA-N 2 0 282.428 1.789 10 0 CDAERP C(C[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1)CN1CC[NH2+]CC1 ZINC000925695673 745899685 /nfs/dbraw/zinc/89/96/85/745899685.db2.gz XYXSPLWFYWPKMI-HRCADAONSA-N 2 0 281.444 1.077 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1CCn2cncc21 ZINC000857978786 745922690 /nfs/dbraw/zinc/92/26/90/745922690.db2.gz KXDVQSYIJQXJRP-OLZOCXBDSA-N 2 0 276.384 1.709 10 0 CDAERP COCC[C@H](C)[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720815500 745994072 /nfs/dbraw/zinc/99/40/72/745994072.db2.gz IZTSZJXIWFLJMM-GUBZILKMSA-N 2 0 254.296 1.480 10 0 CDAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CC[C@H]1CCCCO1)CC2 ZINC000923450751 746042167 /nfs/dbraw/zinc/04/21/67/746042167.db2.gz IFDRAPRWWBTEFO-CABCVRRESA-N 2 0 282.428 1.775 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000868379996 746072450 /nfs/dbraw/zinc/07/24/50/746072450.db2.gz HUUVCNFAEUGZAB-HUUCEWRRSA-N 2 0 296.459 1.454 10 0 CDAERP CCC1([NH+](C)C)CCN(c2cc[nH+]cc2CO)CC1 ZINC000715292420 746246881 /nfs/dbraw/zinc/24/68/81/746246881.db2.gz AYYUIRUBSDWJOF-UHFFFAOYSA-N 2 0 263.385 1.885 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCOC1CCOCC1 ZINC000925878056 746295978 /nfs/dbraw/zinc/29/59/78/746295978.db2.gz PWUQCCYARITCKI-GXTWGEPZSA-N 2 0 256.390 1.289 10 0 CDAERP CN1CCC[C@H]([NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1=O ZINC000925530978 746355171 /nfs/dbraw/zinc/35/51/71/746355171.db2.gz NIVRRZGKWXUGSP-WOPDTQHZSA-N 2 0 253.390 1.103 10 0 CDAERP O=C1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CN1CC1CC1 ZINC000716770736 746363471 /nfs/dbraw/zinc/36/34/71/746363471.db2.gz BTDMTDSPDHFYGB-KKUMJFAQSA-N 2 0 277.412 1.214 10 0 CDAERP C[C@H](CNC(=[NH2+])N[C@H]1C[C@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000864452937 746418647 /nfs/dbraw/zinc/41/86/47/746418647.db2.gz KSVKZLVQIBFVMV-LPWJVIDDSA-N 2 0 252.406 1.629 10 0 CDAERP CC(=O)NCC1CCC([NH2+]CCN2CCCC2)CC1 ZINC000865402738 746463944 /nfs/dbraw/zinc/46/39/44/746463944.db2.gz BQGBPSDMPNJQPX-UHFFFAOYSA-N 2 0 267.417 1.367 10 0 CDAERP C[C@@H](CN[C@@H]1CC[NH2+]C12CCC2)[NH+]1CCC(C)CC1 ZINC000925512131 746495897 /nfs/dbraw/zinc/49/58/97/746495897.db2.gz ZVBRXQBRBMPONO-LSDHHAIUSA-N 2 0 265.445 1.981 10 0 CDAERP Cc1cnc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)nc1C ZINC000866012194 746600000 /nfs/dbraw/zinc/60/00/00/746600000.db2.gz TZKFZOXGASPJKC-HUUCEWRRSA-N 2 0 291.443 1.269 10 0 CDAERP Cc1cccc(NC(=[NH2+])NCCNc2cc[nH+]cc2)c1 ZINC000849063357 746632171 /nfs/dbraw/zinc/63/21/71/746632171.db2.gz DBICURBNDYZRHH-UHFFFAOYSA-N 2 0 269.352 1.860 10 0 CDAERP C[C@H](CC[NH+](C)C)[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724097474 746708403 /nfs/dbraw/zinc/70/84/03/746708403.db2.gz XHEMFHRFEZSIFB-RKDXNWHRSA-N 2 0 292.292 1.865 10 0 CDAERP [NH3+][C@H]1C[C@H](CNC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000868128964 746771724 /nfs/dbraw/zinc/77/17/24/746771724.db2.gz UDZCPAYTJYFOKF-XYPYZODXSA-N 2 0 286.339 1.126 10 0 CDAERP O=C1OCC[C@H]1CCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925727653 746774115 /nfs/dbraw/zinc/77/41/15/746774115.db2.gz AWUJHTBWTIXXTR-NEPJUHHUSA-N 2 0 252.358 1.204 10 0 CDAERP CC(C)OC(=O)CC[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923452801 746795002 /nfs/dbraw/zinc/79/50/02/746795002.db2.gz XIHXJWSISPJWGM-ZDUSSCGKSA-N 2 0 284.400 1.158 10 0 CDAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](C[C@@H]1CCCCO1)CC2 ZINC000923444151 746825977 /nfs/dbraw/zinc/82/59/77/746825977.db2.gz HJHZTTBTNULTBD-KBPBESRZSA-N 2 0 268.401 1.385 10 0 CDAERP CN(C(=O)Cc1cn2c(n1)CCCC2)C1CCC([NH3+])CC1 ZINC000846668171 746867750 /nfs/dbraw/zinc/86/77/50/746867750.db2.gz NNFQWOVGEGLSFT-UHFFFAOYSA-N 2 0 290.411 1.490 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)cc1 ZINC000870938179 746878502 /nfs/dbraw/zinc/87/85/02/746878502.db2.gz ZCFWJHVBTRAWKN-ADDUCUOXSA-N 2 0 273.380 1.450 10 0 CDAERP CO[C@H]1CCCC[C@@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925663503 746943376 /nfs/dbraw/zinc/94/33/76/746943376.db2.gz UPYSNILORHOSJD-SFWGVHFYSA-N 2 0 250.386 1.530 10 0 CDAERP C[C@@H]1C[C@@H]([N@H+](C)CC[C@@H]2COC(C)(C)O2)CCN1C ZINC000851796662 746951445 /nfs/dbraw/zinc/95/14/45/746951445.db2.gz IFTUOIGYCNCGGX-HZSPNIEDSA-N 2 0 270.417 1.943 10 0 CDAERP CCOC(=O)C1=CC[C@H]([NH2+][C@H]2CCC[C@H]2C[NH3+])C1 ZINC000863542252 747024458 /nfs/dbraw/zinc/02/44/58/747024458.db2.gz CAKAFIDEULYQNN-AVGNSLFASA-N 2 0 252.358 1.355 10 0 CDAERP C[NH+](C)C1(C)CCC([NH2+]C[C@@](C)(O)C(F)F)CC1 ZINC000715235646 747050256 /nfs/dbraw/zinc/05/02/56/747050256.db2.gz PPQQIDSJUVZOGX-KGPNIALWSA-N 2 0 264.360 1.855 10 0 CDAERP CC1(C)CCC[N@H+](CCN[C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925660640 747060162 /nfs/dbraw/zinc/06/01/62/747060162.db2.gz SAWKPDKWUNGAOG-ZIAGYGMSSA-N 2 0 265.445 1.968 10 0 CDAERP CN1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCC1=O ZINC000820811229 747136669 /nfs/dbraw/zinc/13/66/69/747136669.db2.gz NHQJMUORFKEZKQ-YPRXJGMQSA-N 2 0 277.412 1.355 10 0 CDAERP CC(C)OCC[C@H](O)CN1CC2CCC1(C[NH3+])CC2 ZINC000923393308 747146053 /nfs/dbraw/zinc/14/60/53/747146053.db2.gz OFERELWNRHWPHM-SLTAFYQDSA-N 2 0 270.417 1.366 10 0 CDAERP C[N@@H+]1CC[C@H](NC[C@]23CCC[C@H]2[NH2+]CC3)[C@@H]2CCC[C@@H]21 ZINC000925841340 747147935 /nfs/dbraw/zinc/14/79/35/747147935.db2.gz OKYIYCIUPQOECI-SMLCLMEVSA-N 2 0 277.456 1.981 10 0 CDAERP C[NH+](C)C1(C)CCN(C[C@H](O)CC2(O)CCCC2)CC1 ZINC000931356123 747226413 /nfs/dbraw/zinc/22/64/13/747226413.db2.gz YTTRMGKBNDZOKY-CQSZACIVSA-N 2 0 284.444 1.459 10 0 CDAERP C[C@@H]1C[N@H+](C[C@@H]2COc3ccccc3O2)C[C@@H]1C[NH3+] ZINC000708858568 747233309 /nfs/dbraw/zinc/23/33/09/747233309.db2.gz RFFUWSGHUGWMCA-FRRDWIJNSA-N 2 0 262.353 1.353 10 0 CDAERP CC(C)N(C)C(=O)[C@H](C)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923449223 747315332 /nfs/dbraw/zinc/31/53/32/747315332.db2.gz LTYWYJUHZBQBNY-KBPBESRZSA-N 2 0 297.443 1.072 10 0 CDAERP [NH3+]C[C@@H]1C[N@H+](CCCCCCO)C[C@@H]1C(F)(F)F ZINC000720845095 747349104 /nfs/dbraw/zinc/34/91/04/747349104.db2.gz MOYISIIUMWMOMY-MNOVXSKESA-N 2 0 268.323 1.608 10 0 CDAERP C[C@@H]1C[N@H+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)C[C@H]1CC[NH3+] ZINC000723894836 747503563 /nfs/dbraw/zinc/50/35/63/747503563.db2.gz PHZZEEAAFHQRSJ-SEBNEYGDSA-N 2 0 252.402 1.861 10 0 CDAERP O[C@H](CCc1ccccc1)C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000923381354 747552839 /nfs/dbraw/zinc/55/28/39/747552839.db2.gz KVXWNRFLFMPESW-MRXNPFEDSA-N 2 0 274.408 1.808 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2NC[C@@H]1CC[NH+]1C1CCCC1 ZINC000926762764 747566639 /nfs/dbraw/zinc/56/66/39/747566639.db2.gz PEAMTOCMLYVGPK-IINVVDAPSA-N 2 0 277.456 1.933 10 0 CDAERP C1C[C@H]2CC([NH2+][C@@H]3CCCN4CCSC[C@H]34)C[C@@H]1[NH2+]2 ZINC000720469644 747638492 /nfs/dbraw/zinc/63/84/92/747638492.db2.gz CSWSABYQZTVTPP-JSPOSNOBSA-N 2 0 281.469 1.439 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCC[NH2+][C@H]1C)[NH+]1CCCCC1 ZINC000252651390 747656872 /nfs/dbraw/zinc/65/68/72/747656872.db2.gz KZHNEIMUHSYZOC-MELADBBJSA-N 2 0 267.417 1.365 10 0 CDAERP c1ccc(CN2CCN(CCC[NH2+]C3CC3)CC2)nc1 ZINC000923329096 747731973 /nfs/dbraw/zinc/73/19/73/747731973.db2.gz ZOFKKJUDDFTXHK-UHFFFAOYSA-N 2 0 274.412 1.341 10 0 CDAERP C(CC[NH2+][C@H]1CN2C[C@@H]1CCC2)CC[NH+]1CCCC1 ZINC000926485773 747818251 /nfs/dbraw/zinc/81/82/51/747818251.db2.gz ABUPRXAFAHSHKQ-HOTGVXAUSA-N 2 0 265.445 1.936 10 0 CDAERP C[C@@H](C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)CN1CCOCC1 ZINC000925507642 747824615 /nfs/dbraw/zinc/82/46/15/747824615.db2.gz BOQWEFVSOWFBFU-XUWVNRHRSA-N 2 0 295.471 1.321 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)[C@@H](O)c1ccc(F)cc1 ZINC000817913668 747826710 /nfs/dbraw/zinc/82/67/10/747826710.db2.gz QFEFEOMYIDEGGD-TUKIKUTGSA-N 2 0 284.375 1.591 10 0 CDAERP CCO[C@@H]1C[N@H+](CCC2SCCS2)C[C@H]1C[NH3+] ZINC000853023500 747840500 /nfs/dbraw/zinc/84/05/00/747840500.db2.gz ZEFITFYOSFYFSA-GHMZBOCLSA-N 2 0 276.471 1.478 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)N2CCC[C@H](C)C2)C[C@H]1CC[NH3+] ZINC000723920345 747859540 /nfs/dbraw/zinc/85/95/40/747859540.db2.gz UQEBCRDFALUCSD-BFHYXJOUSA-N 2 0 267.417 1.162 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)CC[N@@H+]1C ZINC000925333591 747866665 /nfs/dbraw/zinc/86/66/65/747866665.db2.gz CPRWDGHQHJDQHJ-IJEWVQPXSA-N 2 0 294.443 1.206 10 0 CDAERP Cc1c(F)nccc1CN(CC[NH+](C)C)CC[NH+](C)C ZINC000862367434 747875640 /nfs/dbraw/zinc/87/56/40/747875640.db2.gz ITDFEDJBDXEEGD-UHFFFAOYSA-N 2 0 282.407 1.454 10 0 CDAERP C[C@@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)C1CC[NH+](C)CC1 ZINC000723590045 747877276 /nfs/dbraw/zinc/87/72/76/747877276.db2.gz SGZBIFAFJYXBJO-OLZOCXBDSA-N 2 0 267.417 1.175 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]Cc2ccnc(-n3cncn3)c2)CC[N@@H+]1C ZINC000866432260 747886570 /nfs/dbraw/zinc/88/65/70/747886570.db2.gz OBEAVEZPWPYCKL-JSGCOSHPSA-N 2 0 286.383 1.235 10 0 CDAERP Cc1nn(C)cc1[C@H](C)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925844793 747893371 /nfs/dbraw/zinc/89/33/71/747893371.db2.gz LWOLHBBAMGAPHS-AWEZNQCLSA-N 2 0 293.459 1.455 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000852863768 748004573 /nfs/dbraw/zinc/00/45/73/748004573.db2.gz ZLPOGBIPNPCVRE-HNNXBMFYSA-N 2 0 277.412 1.383 10 0 CDAERP C[C@H](Cn1cncn1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000820808361 748088146 /nfs/dbraw/zinc/08/81/46/748088146.db2.gz DMHAXTBYZGZCEC-IKKMQULASA-N 2 0 275.400 1.414 10 0 CDAERP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(F)cc1 ZINC000925811006 748091850 /nfs/dbraw/zinc/09/18/50/748091850.db2.gz PVBQCYOYCIKYKS-LBPRGKRZSA-N 2 0 265.376 1.899 10 0 CDAERP CO[C@@H]1COCC[C@H]1C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925680663 748120182 /nfs/dbraw/zinc/12/01/82/748120182.db2.gz KHFVHUWHOSGHAN-VYDRJRHOSA-N 2 0 282.428 1.404 10 0 CDAERP C(N[C@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925839107 748196846 /nfs/dbraw/zinc/19/68/46/748196846.db2.gz FTSBJHPPRNMDQA-DRRXZNNHSA-N 2 0 293.455 1.265 10 0 CDAERP Cn1c(Cl)ncc1C[N@H+](C)CCCn1ccnc1 ZINC000848912588 748254029 /nfs/dbraw/zinc/25/40/29/748254029.db2.gz SLIJUIMXONCBQG-UHFFFAOYSA-N 2 0 267.764 1.792 10 0 CDAERP CCc1cc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc[nH+]1 ZINC000866011261 748255107 /nfs/dbraw/zinc/25/51/07/748255107.db2.gz XTIDPQMZACIBFH-HUUCEWRRSA-N 3 0 290.455 1.820 10 0 CDAERP C[NH+](C)CC1(O)CC[NH+](C[C@H]2CC[C@H](C3CC3)O2)CC1 ZINC000715390849 748336905 /nfs/dbraw/zinc/33/69/05/748336905.db2.gz CCFLTMBSPVJJRX-HUUCEWRRSA-N 2 0 282.428 1.333 10 0 CDAERP C[C@@H]1C[C@H]1NC(=[NH2+])NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000864470342 748361548 /nfs/dbraw/zinc/36/15/48/748361548.db2.gz XWYIZWYGDRWGGY-DMRZNYOFSA-N 2 0 286.423 1.854 10 0 CDAERP CC[C@H](CN1CCOCC1)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925824287 748366965 /nfs/dbraw/zinc/36/69/65/748366965.db2.gz WOSWSZCGOSVESR-ZNMIVQPWSA-N 2 0 283.460 1.593 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000925669007 748454264 /nfs/dbraw/zinc/45/42/64/748454264.db2.gz NKJZAIURQVVZKQ-YCRSDQPHSA-N 2 0 260.385 1.373 10 0 CDAERP CC1(C)[NH2+]CC[C@H]1[NH2+]CC1CCC(S(C)(=O)=O)CC1 ZINC000925796812 748488725 /nfs/dbraw/zinc/48/87/25/748488725.db2.gz FKAFHVJJCNLNIS-WXRRBKDZSA-N 2 0 288.457 1.320 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000722391452 748496747 /nfs/dbraw/zinc/49/67/47/748496747.db2.gz KPTGDPFGIRTYHX-ZRUFSTJUSA-N 2 0 266.307 1.813 10 0 CDAERP CON(C)C(=O)CCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000799143614 748568754 /nfs/dbraw/zinc/56/87/54/748568754.db2.gz QCOUEEQAGNVHGG-HIFRSBDPSA-N 2 0 295.427 1.345 10 0 CDAERP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925841137 748606946 /nfs/dbraw/zinc/60/69/46/748606946.db2.gz FLUWRPCSZBFFMW-NUEKZKHPSA-N 2 0 274.412 1.919 10 0 CDAERP Cc1nnc(CC[NH+]2CCC(C[NH+]3CCCC3)CC2)o1 ZINC000929276130 748769907 /nfs/dbraw/zinc/76/99/07/748769907.db2.gz OVSPPEYWUBCRMO-UHFFFAOYSA-N 2 0 278.400 1.728 10 0 CDAERP CCO[C@H](CN[C@H]1CCCC[C@H]1C[NH3+])C[NH+](C)C ZINC000925842113 748807033 /nfs/dbraw/zinc/80/70/33/748807033.db2.gz WIIQJSOEZPMHMF-MJBXVCDLSA-N 3 0 257.422 1.060 10 0 CDAERP C[C@H]([NH2+]C[C@@H](O)[C@@H]1CCCO1)c1cccc(C[NH+](C)C)c1 ZINC000926748274 748842020 /nfs/dbraw/zinc/84/20/20/748842020.db2.gz DXWLMUVJYJKPRO-XKQJLSEDSA-N 2 0 292.423 1.939 10 0 CDAERP COC(=O)/C(C)=C\CN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000705130627 748857395 /nfs/dbraw/zinc/85/73/95/748857395.db2.gz YSKYYEIPKTZFGA-OTAKNEKHSA-N 2 0 254.374 1.379 10 0 CDAERP C[C@H]1CN(CC[N@H+](C)CCCCCC[NH3+])CCO1 ZINC000872155371 748861661 /nfs/dbraw/zinc/86/16/61/748861661.db2.gz LIKCFIPNLKTLFC-AWEZNQCLSA-N 2 0 257.422 1.158 10 0 CDAERP O[C@H](C[NH2+]C1(C2CCC2)CCC1)C[NH+]1CCCC1 ZINC000717905605 748890424 /nfs/dbraw/zinc/89/04/24/748890424.db2.gz YYUNLCILDQVOKX-CQSZACIVSA-N 2 0 252.402 1.756 10 0 CDAERP C[C@H](CCNC(=[NH2+])N1CCO[C@H](C)C1)[NH+]1CCCCC1 ZINC000849018442 748964373 /nfs/dbraw/zinc/96/43/73/748964373.db2.gz VKFAXHWXWXWUCA-ZIAGYGMSSA-N 2 0 282.432 1.496 10 0 CDAERP O[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)COCC1CC1 ZINC000925616676 749009671 /nfs/dbraw/zinc/00/96/71/749009671.db2.gz NBNHQEREEWKNEX-IXDOHACOSA-N 2 0 296.455 1.532 10 0 CDAERP C[C@H]1C[N@H+](Cc2cc(-c3cnn(C)c3)no2)CC[C@@H]1C[NH3+] ZINC000923493854 749019390 /nfs/dbraw/zinc/01/93/90/749019390.db2.gz ISPHABHMAJNATA-NWDGAFQWSA-N 2 0 289.383 1.492 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=[NH2+])N2CCO[C@@H](C)C2)C1 ZINC000848988164 749103925 /nfs/dbraw/zinc/10/39/25/749103925.db2.gz JQHKBPOFTSIUFQ-ZNMIVQPWSA-N 2 0 296.459 1.599 10 0 CDAERP CC(C)(CNC(=[NH2+])NC[C@@H]1CCCO1)[NH+]1CCCCC1 ZINC000848981691 749135633 /nfs/dbraw/zinc/13/56/33/749135633.db2.gz SUYHJTBFSPMBEM-ZDUSSCGKSA-N 2 0 282.432 1.544 10 0 CDAERP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925882830 749228776 /nfs/dbraw/zinc/22/87/76/749228776.db2.gz VHLWOTRXOMOFKH-LUKYLMHMSA-N 2 0 285.435 1.905 10 0 CDAERP [NH3+][C@@H](CC(=O)NC1CC([NH+]2CCCCC2)C1)C1CC1 ZINC000831959876 749284285 /nfs/dbraw/zinc/28/42/85/749284285.db2.gz AFLKDVADQBCPBC-RUXDESIVSA-N 2 0 265.401 1.247 10 0 CDAERP O=C([C@@H]1CC[C@@H]2CCCC[C@H]2[NH2+]1)N1CCC[NH2+]CC1 ZINC000250873135 749285043 /nfs/dbraw/zinc/28/50/43/749285043.db2.gz STMYWXXZLWWAGQ-MJBXVCDLSA-N 2 0 265.401 1.119 10 0 CDAERP C[C@H](C(=O)NCC1CCCCC1)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923504694 749287409 /nfs/dbraw/zinc/28/74/09/749287409.db2.gz SYYVFSNEXANFLE-IIAWOOMASA-N 2 0 295.471 1.988 10 0 CDAERP C[C@H]1C[N@H+](CCC[NH2+]Cc2cc[nH]c(=O)c2)CCCO1 ZINC000922065160 749292683 /nfs/dbraw/zinc/29/26/83/749292683.db2.gz WZRWTPDCCLCLLO-ZDUSSCGKSA-N 2 0 279.384 1.378 10 0 CDAERP C[NH+]1CCC(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)CC1 ZINC000094370849 749355329 /nfs/dbraw/zinc/35/53/29/749355329.db2.gz AMNPLRHLAGVLQW-LSDHHAIUSA-N 2 0 268.401 1.256 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001323370692 1166670260 /nfs/dbraw/zinc/67/02/60/1166670260.db2.gz HDYRJHKNNLMJLV-OAHLLOKOSA-N 2 0 281.444 1.851 10 0 CDAERP CC(C)[N@H+](CCCO)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001691744330 1166963767 /nfs/dbraw/zinc/96/37/67/1166963767.db2.gz NOWDACRVDQJDCT-HNNXBMFYSA-N 2 0 299.459 1.070 10 0 CDAERP CCCCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001571583803 1167600816 /nfs/dbraw/zinc/60/08/16/1167600816.db2.gz JBGJLFMVZHNQHE-GJZGRUSLSA-N 2 0 299.459 1.070 10 0 CDAERP CC(C)[N@@H+]1CC[C@H]1CN(C)C(=O)CCCC[NH+](C)C ZINC001565832017 1168177695 /nfs/dbraw/zinc/17/76/95/1168177695.db2.gz SLOAKHFDASYZHG-AWEZNQCLSA-N 2 0 269.433 1.659 10 0 CDAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[N@H+](CCF)C1CC1 ZINC001566604414 1168354837 /nfs/dbraw/zinc/35/48/37/1168354837.db2.gz YTURSRCZSNVBMG-KBPBESRZSA-N 2 0 299.434 1.799 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001567154806 1168600430 /nfs/dbraw/zinc/60/04/30/1168600430.db2.gz JMCNBRLKBLOQTN-AWEZNQCLSA-N 2 0 269.433 1.421 10 0 CDAERP C[NH+](C)CCN1CC[N@H+](C[C@H]2CCCCC2(C)C)CC1=O ZINC001365314077 913026249 /nfs/dbraw/zinc/02/62/49/913026249.db2.gz OAMMIJZWTUCGGZ-OAHLLOKOSA-N 2 0 295.471 1.909 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CC[C@@H](CC[NH2+]CCF)C2)CC[N@@H+]1C ZINC001272439022 913103971 /nfs/dbraw/zinc/10/39/71/913103971.db2.gz FZMMDQVBRWNDKH-MGPQQGTHSA-N 2 0 285.407 1.124 10 0 CDAERP C[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)CC1CC1 ZINC001567297328 1168665933 /nfs/dbraw/zinc/66/59/33/1168665933.db2.gz RGXIMAIPBKAXMX-UHFFFAOYSA-N 2 0 267.417 1.319 10 0 CDAERP CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001272547153 913412201 /nfs/dbraw/zinc/41/22/01/913412201.db2.gz VTCNRSXGMKKAJI-XHSDSOJGSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)=CC[NH+]1CCC[C@@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001266482869 895034485 /nfs/dbraw/zinc/03/44/85/895034485.db2.gz KGLBZHMNZZDNLN-HZPDHXFCSA-N 2 0 293.455 1.875 10 0 CDAERP CC(C)CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001266730495 895930047 /nfs/dbraw/zinc/93/00/47/895930047.db2.gz UWMABLKJBGAWGA-KFWWJZLASA-N 2 0 281.444 1.611 10 0 CDAERP C[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CCCF ZINC001266975679 896475895 /nfs/dbraw/zinc/47/58/95/896475895.db2.gz OXHLQTSWULNAPF-KGLIPLIRSA-N 2 0 287.423 1.705 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)CC[NH2+]C[C@@H]1CCO[C@H](C)C1 ZINC001267004978 896533056 /nfs/dbraw/zinc/53/30/56/896533056.db2.gz NWMFEVUCCKKPNQ-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP Cc1csc(C[NH2+]CCN(C)C(=O)C[NH+]2CCCC2)n1 ZINC001267468841 898069499 /nfs/dbraw/zinc/06/94/99/898069499.db2.gz DECREIWRMXEQLL-UHFFFAOYSA-N 2 0 296.440 1.095 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001481112975 898884136 /nfs/dbraw/zinc/88/41/36/898884136.db2.gz UWZALPGXMPHJKQ-UONOGXRCSA-N 2 0 267.417 1.176 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NCCN(C/C=C/Cl)C2CC2)C1 ZINC001481194075 899106316 /nfs/dbraw/zinc/10/63/16/899106316.db2.gz BRFMHYDEKLPRLH-NHEDYWLLSA-N 2 0 299.846 1.661 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)CC[NH2+]C/C=C\Cl)[NH+](C)C ZINC001481243108 899600482 /nfs/dbraw/zinc/60/04/82/899600482.db2.gz FJXSYKVUVHWXID-DGMVEKRQSA-N 2 0 275.824 1.373 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001268003657 900255791 /nfs/dbraw/zinc/25/57/91/900255791.db2.gz QYCOJSGEOFNNKP-LSDHHAIUSA-N 2 0 281.444 1.636 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1CC[NH2+]C[C@@H](C)O ZINC001268162372 901456717 /nfs/dbraw/zinc/45/67/17/901456717.db2.gz LPWAQATUPWEEDA-CABCVRRESA-N 2 0 299.459 1.070 10 0 CDAERP Cc1nocc1C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268348295 901913053 /nfs/dbraw/zinc/91/30/53/901913053.db2.gz GLLUPCYSUPQYFH-BXUZGUMPSA-N 2 0 294.399 1.062 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001481740317 901986294 /nfs/dbraw/zinc/98/62/94/901986294.db2.gz OGFFFZSQIYQHSK-STQMWFEESA-N 2 0 273.396 1.219 10 0 CDAERP CC[NH2+]C[C@@](C)(NC(=O)[C@@]12CC[N@H+](C1)CCC2)C1CC1 ZINC001481947518 902394484 /nfs/dbraw/zinc/39/44/84/902394484.db2.gz KEHHLJDUOVEPIZ-CVEARBPZSA-N 2 0 279.428 1.367 10 0 CDAERP CC(C)OCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001482114023 902658194 /nfs/dbraw/zinc/65/81/94/902658194.db2.gz WWVHVZNMZLKKOH-LSDHHAIUSA-N 2 0 299.459 1.238 10 0 CDAERP CCOCC[NH2+]C[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001268664487 902920414 /nfs/dbraw/zinc/92/04/14/902920414.db2.gz KLGFDYGOOPQSKN-HUUCEWRRSA-N 2 0 299.459 1.382 10 0 CDAERP C[C@@H](C[NH2+]CCc1cccs1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001268716184 903003441 /nfs/dbraw/zinc/00/34/41/903003441.db2.gz ZWAGRUIVWFKKPZ-STQMWFEESA-N 2 0 295.452 1.337 10 0 CDAERP COCCC[N@@H+]1CC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001269292426 903664064 /nfs/dbraw/zinc/66/40/64/903664064.db2.gz QJMPEFGXCNMCMB-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@H](C(=O)N(CC)[C@@H]1CC[N@@H+](C(C)C)C1)[NH+](C)C ZINC001269349387 903723294 /nfs/dbraw/zinc/72/32/94/903723294.db2.gz SRVZMZFMYRNAMV-ZIAGYGMSSA-N 2 0 269.433 1.658 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCCF)CC1 ZINC001269411984 903789066 /nfs/dbraw/zinc/78/90/66/903789066.db2.gz ZXEFVKUATQYFPR-CYBMUJFWSA-N 2 0 285.407 1.457 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N[C@](C)(C[NH2+]CCF)C2CC2)C1 ZINC001269634018 903998148 /nfs/dbraw/zinc/99/81/48/903998148.db2.gz JAZHAWSEFKUXPH-SWLSCSKDSA-N 2 0 285.407 1.172 10 0 CDAERP CC[C@@H](C(=O)N1CCC[C@@H](CC[NH2+]CCF)C1)[NH+](C)C ZINC001269790097 904114569 /nfs/dbraw/zinc/11/45/69/904114569.db2.gz CWGRPKZDBYDOKO-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP CCC[NH2+]CCC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001269934944 904219735 /nfs/dbraw/zinc/21/97/35/904219735.db2.gz FWUDMKBVBPGTKY-UHFFFAOYSA-N 2 0 293.455 1.711 10 0 CDAERP COCCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC001269981532 904247606 /nfs/dbraw/zinc/24/76/06/904247606.db2.gz NKQRLFZDZNYQSO-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+](CCCCCF)C1 ZINC001270624043 904829858 /nfs/dbraw/zinc/82/98/58/904829858.db2.gz MRHVFYMHVZQPIO-HNNXBMFYSA-N 2 0 287.423 1.659 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CC1CC1 ZINC001482370355 905222388 /nfs/dbraw/zinc/22/23/88/905222388.db2.gz VNMZEBZVMJLQNF-UKRRQHHQSA-N 2 0 281.444 1.707 10 0 CDAERP CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](F)C[NH+](CC)CC ZINC001270977158 905514815 /nfs/dbraw/zinc/51/48/15/905514815.db2.gz UBSLRHOCGOHZJX-VXGBXAGGSA-N 2 0 261.385 1.123 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]CCOC ZINC001271748885 906770874 /nfs/dbraw/zinc/77/08/74/906770874.db2.gz BQRVXHPQODWIPG-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP COCCC[NH2+]CC[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001482851264 908428634 /nfs/dbraw/zinc/42/86/34/908428634.db2.gz MARATANGTSUJSO-CQSZACIVSA-N 2 0 297.443 1.136 10 0 CDAERP CCN(CC[NH2+]CC(C)C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001482963222 908545948 /nfs/dbraw/zinc/54/59/48/908545948.db2.gz UALNCUKIKRUMAT-CQSZACIVSA-N 2 0 271.449 1.667 10 0 CDAERP CC[C@H](C)C[NH2+]C/C=C\CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001483059076 909192263 /nfs/dbraw/zinc/19/22/63/909192263.db2.gz NRSKAIGGOQBAAJ-LUNKNMTDSA-N 2 0 281.444 1.636 10 0 CDAERP C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](C)[NH2+]CC1CCOCC1 ZINC001409380164 910353896 /nfs/dbraw/zinc/35/38/96/910353896.db2.gz FCPRWFYYDHPMLV-ZIAGYGMSSA-N 2 0 299.459 1.238 10 0 CDAERP C[C@@H](C[NH2+]Cc1cncs1)NC(=O)C[N@H+](C)C1CCC1 ZINC001483235356 910468363 /nfs/dbraw/zinc/46/83/63/910468363.db2.gz MOVHOGPTZQWNPP-NSHDSACASA-N 2 0 296.440 1.222 10 0 CDAERP C[C@@H](C[NH2+]Cc1cccnc1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001483283068 910788368 /nfs/dbraw/zinc/78/83/68/910788368.db2.gz IEMHMMFKNKZFOL-KBPBESRZSA-N 2 0 290.411 1.018 10 0 CDAERP CC(C)C[NH2+]C[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001483283157 910788853 /nfs/dbraw/zinc/78/88/53/910788853.db2.gz JWBBIUVNLLBUBM-QWHCGFSZSA-N 2 0 255.406 1.079 10 0 CDAERP C[C@H](F)CC[NH2+]CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001483504393 911203520 /nfs/dbraw/zinc/20/35/20/911203520.db2.gz PQFKIFISOMFWKM-ZDUSSCGKSA-N 2 0 285.407 1.268 10 0 CDAERP C[C@@H](F)CC[NH2+]CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001483504392 911204816 /nfs/dbraw/zinc/20/48/16/911204816.db2.gz PQFKIFISOMFWKM-CYBMUJFWSA-N 2 0 285.407 1.268 10 0 CDAERP O=C(N[C@@H](C[NH2+]CCF)C1CC1)C12CCC[NH+](CCC1)C2 ZINC001483568512 911269255 /nfs/dbraw/zinc/26/92/55/911269255.db2.gz HTEHVFWZRSQUCT-AWEZNQCLSA-N 2 0 297.418 1.316 10 0 CDAERP C[NH+](C)CCC(=O)NC1(C)CC[NH+](CCCF)CC1 ZINC001483971869 915245837 /nfs/dbraw/zinc/24/58/37/915245837.db2.gz WUVDCJODKCNLMG-UHFFFAOYSA-N 2 0 273.396 1.268 10 0 CDAERP CC[NH2+]CC[C@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001484523917 915855978 /nfs/dbraw/zinc/85/59/78/915855978.db2.gz XBUGEVBVZCCTQU-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)CC[NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001484896938 916250766 /nfs/dbraw/zinc/25/07/66/916250766.db2.gz FASDVCJCCYQIII-CABCVRRESA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)C[NH2+]C1(C)CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001484920474 916276673 /nfs/dbraw/zinc/27/66/73/916276673.db2.gz BVJRNIDTECDAAZ-UHFFFAOYSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[NH2+]CC(C)(C)CN(C)C(=O)CC[NH+](C)C ZINC001485259205 916728255 /nfs/dbraw/zinc/72/82/55/916728255.db2.gz LACMBYIRIIBJJQ-UHFFFAOYSA-N 2 0 271.449 1.668 10 0 CDAERP C[C@@H]1[C@H]([NH2+]CCC2CC2)CCN1C(=O)CC[NH+](C)C ZINC001486083121 920684389 /nfs/dbraw/zinc/68/43/89/920684389.db2.gz AZQQRLZZDJETBQ-TZMCWYRMSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@H]1[C@H]([NH2+]CCCF)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001486085271 920686532 /nfs/dbraw/zinc/68/65/32/920686532.db2.gz PGEMBIZKNPXUCQ-GXTWGEPZSA-N 2 0 285.407 1.267 10 0 CDAERP CCC[N@H+]1CC=C(CNC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001486519628 921095916 /nfs/dbraw/zinc/09/59/16/921095916.db2.gz WCHNXBUYWJRYKU-OAHLLOKOSA-N 2 0 279.428 1.487 10 0 CDAERP CC[N@H+]1CC=C(CNC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001486518707 921096327 /nfs/dbraw/zinc/09/63/27/921096327.db2.gz FXOKAJUOEINYBO-CQSZACIVSA-N 2 0 265.401 1.096 10 0 CDAERP CC[N@H+]1CC=C(CNC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001486518706 921096831 /nfs/dbraw/zinc/09/68/31/921096831.db2.gz FXOKAJUOEINYBO-AWEZNQCLSA-N 2 0 265.401 1.096 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)N(C)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001568314200 1169241901 /nfs/dbraw/zinc/24/19/01/1169241901.db2.gz IFTYDWNBDGFZLI-RDJZCZTQSA-N 2 0 293.455 1.875 10 0 CDAERP C(C[C@@H]1CCSC1)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000704918372 922924273 /nfs/dbraw/zinc/92/42/73/922924273.db2.gz JCVFFZSMXDPGHR-QQOHENMQSA-N 2 0 252.427 1.716 10 0 CDAERP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)C1 ZINC000923428514 923824023 /nfs/dbraw/zinc/82/40/23/923824023.db2.gz HXELZMOPODDVQI-UVPYHEFZSA-N 2 0 258.365 1.111 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001491180818 936869974 /nfs/dbraw/zinc/86/99/74/936869974.db2.gz WCXRNUJCAQCNQK-CABCVRRESA-N 2 0 281.444 1.566 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CCCC[NH+]2CCCF)C1 ZINC001491231348 936881412 /nfs/dbraw/zinc/88/14/12/936881412.db2.gz SJRYGMPWGVOKQJ-LSDHHAIUSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001491457262 936919907 /nfs/dbraw/zinc/91/99/07/936919907.db2.gz PGRNPVXPOBUICA-HIFRSBDPSA-N 2 0 279.428 1.389 10 0 CDAERP C[NH+]1CCC(CC[NH2+][C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC001119699142 925477226 /nfs/dbraw/zinc/47/72/26/925477226.db2.gz JWNLUSOCNRHMGE-OAHLLOKOSA-N 3 0 265.445 1.983 10 0 CDAERP C[C@H](CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]C/C=C\Cl ZINC001410432766 925653300 /nfs/dbraw/zinc/65/33/00/925653300.db2.gz HBZRKZCLKVPHRX-FSMZVQOTSA-N 2 0 287.835 1.517 10 0 CDAERP CC[C@@H](C(=O)N(C)C[C@H](C)NCc1nocc1C)[NH+](C)C ZINC001410434156 925655180 /nfs/dbraw/zinc/65/51/80/925655180.db2.gz ISRDTOFYMWVIRO-JSGCOSHPSA-N 2 0 296.415 1.260 10 0 CDAERP CCN(CC[NH2+]CC=C(C)C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001273298690 925761030 /nfs/dbraw/zinc/76/10/30/925761030.db2.gz VCCWPDXTWXCOHO-AWEZNQCLSA-N 2 0 267.417 1.485 10 0 CDAERP C[C@@H](F)CC[NH2+][C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001410491380 925821861 /nfs/dbraw/zinc/82/18/61/925821861.db2.gz LJNFVFKHQIZBHO-OLZOCXBDSA-N 2 0 285.407 1.267 10 0 CDAERP CC[C@H](C(=O)N1CCO[C@H](C[NH2+]CCC(C)C)C1)[NH+](C)C ZINC001273342869 926120309 /nfs/dbraw/zinc/12/03/09/926120309.db2.gz QLUYRXGRJKHWBL-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]2C[NH2+]CCCCCF)C1 ZINC001324278327 926812715 /nfs/dbraw/zinc/81/27/15/926812715.db2.gz UOGPSJDNUPQHEH-GJZGRUSLSA-N 2 0 299.434 1.659 10 0 CDAERP Cc1nccn1CC(=O)NCCC[N@@H+](C)CC1CC1 ZINC001490280366 927074478 /nfs/dbraw/zinc/07/44/78/927074478.db2.gz XOINWPZTKUULLN-UHFFFAOYSA-N 2 0 264.373 1.040 10 0 CDAERP Cc1ncoc1C[NH+](C)CCCNC(=O)C[N@@H+](C)C(C)C ZINC001490282402 927078278 /nfs/dbraw/zinc/07/82/78/927078278.db2.gz VWZPCPIMGLMPFK-UHFFFAOYSA-N 2 0 296.415 1.261 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC001135649517 930318909 /nfs/dbraw/zinc/31/89/09/930318909.db2.gz HXDLLCVTOOUPIU-OAHLLOKOSA-N 2 0 283.460 1.812 10 0 CDAERP C[C@@H](F)CC[NH2+]C/C=C\CNC(=O)C[NH+]1CCC(C)CC1 ZINC001274463332 931501738 /nfs/dbraw/zinc/50/17/38/931501738.db2.gz FJXIXHDYFLZYGI-ABCZVMIZSA-N 2 0 299.434 1.728 10 0 CDAERP C[C@H](F)CC[NH2+]C/C=C\CNC(=O)C[NH+]1CCC(C)CC1 ZINC001274463334 931501906 /nfs/dbraw/zinc/50/19/06/931501906.db2.gz FJXIXHDYFLZYGI-JZIMQPMSSA-N 2 0 299.434 1.728 10 0 CDAERP C[C@@H](C[NH2+]CCC(C)(C)C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001275309894 931731664 /nfs/dbraw/zinc/73/16/64/931731664.db2.gz QESNTLLTWSQSLU-KGLIPLIRSA-N 2 0 283.460 1.859 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@H](C)[NH2+]CC=C(C)C ZINC001275530434 931859178 /nfs/dbraw/zinc/85/91/78/931859178.db2.gz VWHZNMVEPVJXCA-UONOGXRCSA-N 2 0 269.433 1.777 10 0 CDAERP CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001411703454 931970018 /nfs/dbraw/zinc/97/00/18/931970018.db2.gz QEWLUHMBIIJGMH-PMPSAXMXSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH2+]CCCCC(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000719676626 932191942 /nfs/dbraw/zinc/19/19/42/932191942.db2.gz MXBBEBMFSPXVHL-CYBMUJFWSA-N 2 0 255.406 1.319 10 0 CDAERP C[NH2+]CCCCC(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000719738768 932246653 /nfs/dbraw/zinc/24/66/53/932246653.db2.gz VKVZROITOWCSKC-UHFFFAOYSA-N 2 0 281.444 1.711 10 0 CDAERP CC[C@@H](C(=O)N(C)CCC[NH2+]Cc1coc(C)n1)[NH+](C)C ZINC001276233221 932665987 /nfs/dbraw/zinc/66/59/87/932665987.db2.gz VGZBUZQSSPEQQQ-AWEZNQCLSA-N 2 0 296.415 1.261 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]([NH3+])C2CCCCC2)C1 ZINC001118384971 937622461 /nfs/dbraw/zinc/62/24/61/937622461.db2.gz PRJVKFWOXPITSH-KWCYVHTRSA-N 2 0 267.417 1.350 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000925264815 932864518 /nfs/dbraw/zinc/86/45/18/932864518.db2.gz PILKIBGSMPEMRT-SXBYAPGRSA-N 2 0 260.385 1.197 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccc(F)cc2)C12CCC2 ZINC000925561428 932905476 /nfs/dbraw/zinc/90/54/76/932905476.db2.gz BTZVZIAGGKUKCB-YUELXQCFSA-N 2 0 294.370 1.425 10 0 CDAERP CO[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000687372770 934285260 /nfs/dbraw/zinc/28/52/60/934285260.db2.gz UQOUMTIUUYQAQF-UONOGXRCSA-N 2 0 269.433 1.170 10 0 CDAERP CC/C=C\CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001490852461 934504536 /nfs/dbraw/zinc/50/45/36/934504536.db2.gz ICPGWFXFLVDYMY-XHPSBEMXSA-N 2 0 281.444 1.875 10 0 CDAERP C[C@H](CS(C)(=O)=O)[N@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000688588893 934658503 /nfs/dbraw/zinc/65/85/03/934658503.db2.gz WZDBCYXKOWXJKW-RLAWYHOSSA-N 2 0 288.457 1.272 10 0 CDAERP CCO[C@@H]1C[N@H+](C[C@H](COC)C(C)C)C[C@H]1C[NH3+] ZINC000721923307 935748076 /nfs/dbraw/zinc/74/80/76/935748076.db2.gz XYQMTPGFBAJLPF-MGPQQGTHSA-N 2 0 258.406 1.201 10 0 CDAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]CCF ZINC001568631151 1169406823 /nfs/dbraw/zinc/40/68/23/1169406823.db2.gz RTLGPQIAYHJWTQ-QWHCGFSZSA-N 2 0 273.396 1.313 10 0 CDAERP CCOC[C@H](O)C[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001413094698 935900720 /nfs/dbraw/zinc/90/07/20/935900720.db2.gz KBJZJYPPGTVFOE-OAGGEKHMSA-N 2 0 282.428 1.192 10 0 CDAERP C[C@H](CC[NH2+]Cc1cscn1)NC(=O)CC[NH+](C)C ZINC001568674229 1169425524 /nfs/dbraw/zinc/42/55/24/1169425524.db2.gz IKPHSHIRIKTDFY-LLVKDONJSA-N 2 0 284.429 1.079 10 0 CDAERP COC(=O)N[C@H]1CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000400893056 940860323 /nfs/dbraw/zinc/86/03/23/940860323.db2.gz BWBKWPKBJXBGPN-ZDUSSCGKSA-N 2 0 269.389 1.197 10 0 CDAERP CC1CC[NH+](CCCNC(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)CC1 ZINC000720953548 941780407 /nfs/dbraw/zinc/78/04/07/941780407.db2.gz KVIIHTZEFUEGSH-ILXRZTDVSA-N 2 0 279.428 1.080 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C/C=C\Cl)C1 ZINC001277027256 941832099 /nfs/dbraw/zinc/83/20/99/941832099.db2.gz PWXZBLRKIUJRAZ-VNGOVUNDSA-N 2 0 285.819 1.318 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)C2(C)CC2)CC1 ZINC001473854404 970863872 /nfs/dbraw/zinc/86/38/72/970863872.db2.gz HUAYTUBWUCQHMK-ZDUSSCGKSA-N 2 0 281.444 1.754 10 0 CDAERP CC[C@@H](F)C[NH2+]CC[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001280187752 942422497 /nfs/dbraw/zinc/42/24/97/942422497.db2.gz ZCTRUQPANGQJDA-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CCF)CC1 ZINC001280381770 942432067 /nfs/dbraw/zinc/43/20/67/942432067.db2.gz YQBYFLYYUIYYLK-HDJSIYSDSA-N 2 0 287.423 1.561 10 0 CDAERP CCCCC[NH2+]C[C@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CCO1 ZINC001280658439 942471933 /nfs/dbraw/zinc/47/19/33/942471933.db2.gz CLXBKTTTWPHTFG-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP CCC[NH2+]CCN(CC)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001568799573 1169481716 /nfs/dbraw/zinc/48/17/16/1169481716.db2.gz JXVISBQPEKLPAY-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP CCC[NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001283112090 942824072 /nfs/dbraw/zinc/82/40/72/942824072.db2.gz ZUZXZQMUFRWVPD-SHTZXODSSA-N 2 0 281.444 1.757 10 0 CDAERP CC(C)(C(=O)N[C@H]1CC[C@@H](C[NH2+]CCF)C1)[NH+]1CCCC1 ZINC001284196528 943107229 /nfs/dbraw/zinc/10/72/29/943107229.db2.gz MLVFIOJDFBTYES-KGLIPLIRSA-N 2 0 299.434 1.705 10 0 CDAERP C[C@@H](F)CC[N@H+]1CC=C(CNC(=O)CCC[NH+](C)C)CC1 ZINC001284960116 943301597 /nfs/dbraw/zinc/30/15/97/943301597.db2.gz QFTXMAGYOKAJCH-CQSZACIVSA-N 2 0 299.434 1.825 10 0 CDAERP CN(C[C@@H]1CC[N@@H+]1CCC1CC1)C(=O)CC[NH+](C)C ZINC001263810385 943982540 /nfs/dbraw/zinc/98/25/40/943982540.db2.gz WUKSTCMAHRTAJH-AWEZNQCLSA-N 2 0 267.417 1.271 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCCF)C1 ZINC001264399930 944126686 /nfs/dbraw/zinc/12/66/86/944126686.db2.gz PUNMDSUYBYQCAT-MJBXVCDLSA-N 2 0 285.407 1.315 10 0 CDAERP CC[C@@H](F)C[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001265001411 944197160 /nfs/dbraw/zinc/19/71/60/944197160.db2.gz WEWAISLFTPKBHM-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP CC[N@H+](C)CCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001265058414 944217232 /nfs/dbraw/zinc/21/72/32/944217232.db2.gz TXVZHSNEYPWEOD-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+](C)C(C)C)C1 ZINC001265708922 944476638 /nfs/dbraw/zinc/47/66/38/944476638.db2.gz VYKKKZVXLVEHSL-UONOGXRCSA-N 2 0 269.433 1.563 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)CC1CC1 ZINC001266054443 944657416 /nfs/dbraw/zinc/65/74/16/944657416.db2.gz RRZSHTVZLBTNOO-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]CCCF)C1 ZINC001266067458 944661666 /nfs/dbraw/zinc/66/16/66/944661666.db2.gz LFSHOCQWTWMUER-QWHCGFSZSA-N 2 0 273.396 1.315 10 0 CDAERP COCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001266203903 944752510 /nfs/dbraw/zinc/75/25/10/944752510.db2.gz MGSFGZRTSORMAJ-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CC/C=C/CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001279321338 944793975 /nfs/dbraw/zinc/79/39/75/944793975.db2.gz BOHWRHKRBIPZMB-CQSCXQODSA-N 2 0 293.455 1.873 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH+](C)CC2(C)C)C1 ZINC001362292015 971124978 /nfs/dbraw/zinc/12/49/78/971124978.db2.gz KNNHMNYFZSTMDL-CQSZACIVSA-N 2 0 281.444 1.659 10 0 CDAERP [NH3+]CC[C@@H]1CCCN(C(=O)[C@H]2CCCC[C@H]2[NH3+])C1 ZINC001261493386 946142995 /nfs/dbraw/zinc/14/29/95/946142995.db2.gz YPAPQLCVNRWSLB-RWMBFGLXSA-N 2 0 253.390 1.091 10 0 CDAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+]2CC[C@H](F)C2)C1 ZINC001362385668 971214202 /nfs/dbraw/zinc/21/42/02/971214202.db2.gz LSLQEGXSODKOFU-KBPBESRZSA-N 2 0 285.407 1.221 10 0 CDAERP COC(=O)[C@@H]1[C@@H](C[NH2+]CCC2CC[NH+](C)CC2)C1(F)F ZINC001262110014 946440075 /nfs/dbraw/zinc/44/00/75/946440075.db2.gz NVQJQVMNRMTDTC-NEPJUHHUSA-N 2 0 290.354 1.362 10 0 CDAERP CC[N@@H+]1CCC[C@H](CN[C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC001262202616 946516711 /nfs/dbraw/zinc/51/67/11/946516711.db2.gz YHPNIDGVQLIIRP-MCIONIFRSA-N 2 0 251.418 1.578 10 0 CDAERP CCC[NH2+]C/C=C/CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001568919445 1169547740 /nfs/dbraw/zinc/54/77/40/1169547740.db2.gz AXKFSPIJCZCGLO-MUBLQREKSA-N 2 0 253.390 1.000 10 0 CDAERP CC[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCC[NH+](C(C)C)C1 ZINC001362486680 971328809 /nfs/dbraw/zinc/32/88/09/971328809.db2.gz LCKNCKOJSXDDBS-CABCVRRESA-N 2 0 281.444 1.659 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H]1C ZINC001479710054 971379125 /nfs/dbraw/zinc/37/91/25/971379125.db2.gz YDUNYNOIRXXBBZ-QLFBSQMISA-N 2 0 299.459 1.332 10 0 CDAERP C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)CCOC1CCC1 ZINC001479762202 971401435 /nfs/dbraw/zinc/40/14/35/971401435.db2.gz KORGYCXUPIXUCF-HNNXBMFYSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001479778822 971414676 /nfs/dbraw/zinc/41/46/76/971414676.db2.gz YIDVGTLDPJKQKY-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)CCC(C)C ZINC001479860702 971457378 /nfs/dbraw/zinc/45/73/78/971457378.db2.gz QGLFSHCLBYCWII-HNNXBMFYSA-N 2 0 283.460 1.812 10 0 CDAERP O=C(N[C@H]1C[C@H]([NH2+]CCCF)C1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001480160771 971608201 /nfs/dbraw/zinc/60/82/01/971608201.db2.gz HNJVPEIBOYPUAY-ZQDZILKHSA-N 2 0 297.418 1.600 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001480167853 971611691 /nfs/dbraw/zinc/61/16/91/971611691.db2.gz QAPALBNHYMKTMS-LXTVHRRPSA-N 2 0 281.444 1.611 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001480236985 971641593 /nfs/dbraw/zinc/64/15/93/971641593.db2.gz IXZVDRWJXHGPBM-MCIONIFRSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC1=CCCCC1 ZINC001480571218 971790281 /nfs/dbraw/zinc/79/02/81/971790281.db2.gz BQFSYPYNBOJJNG-ZBFHGGJFSA-N 2 0 293.455 1.923 10 0 CDAERP CCCCC[NH2+][C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001480592271 971798629 /nfs/dbraw/zinc/79/86/29/971798629.db2.gz YSVZRNCAKJLIAD-CYBMUJFWSA-N 2 0 255.406 1.367 10 0 CDAERP CC(C)CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001480648652 971824337 /nfs/dbraw/zinc/82/43/37/971824337.db2.gz OAGXUTFUAGGHPJ-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP Cc1conc1C[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001480753832 971863373 /nfs/dbraw/zinc/86/33/73/971863373.db2.gz LYWJZNZJRKCFRJ-TZMCWYRMSA-N 2 0 294.399 1.062 10 0 CDAERP CCCC[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001325550823 953958337 /nfs/dbraw/zinc/95/83/37/953958337.db2.gz AEPHDEAZHCNRMT-CABCVRRESA-N 2 0 283.460 1.812 10 0 CDAERP CC[N@H+](C)[C@@H]1CCN(C(=O)N[C@@H](C)C[NH+](C)C(C)C)C1 ZINC001364282601 954419508 /nfs/dbraw/zinc/41/95/08/954419508.db2.gz RMLDVTUYTCFODL-UONOGXRCSA-N 2 0 284.448 1.451 10 0 CDAERP CCN1CC[C@H]([N@@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)C1=O ZINC001364555389 954795894 /nfs/dbraw/zinc/79/58/94/954795894.db2.gz AFIVHHJFAFYJAQ-BHYGNILZSA-N 2 0 291.439 1.415 10 0 CDAERP CC[NH2+]C1(C)CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001328038594 955169168 /nfs/dbraw/zinc/16/91/68/955169168.db2.gz JXRCCRNQZMOTMD-UHFFFAOYSA-N 2 0 255.406 1.319 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CC1CC(F)(F)C1 ZINC001491569624 955310093 /nfs/dbraw/zinc/31/00/93/955310093.db2.gz SCYMFAJLRIGTDZ-SNVBAGLBSA-N 2 0 277.359 1.078 10 0 CDAERP CC(C)[NH2+]C1CCN(C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001421612459 955433397 /nfs/dbraw/zinc/43/33/97/955433397.db2.gz FUJZITSLJOIHJC-HNNXBMFYSA-N 2 0 283.460 1.417 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001363338049 972096233 /nfs/dbraw/zinc/09/62/33/972096233.db2.gz RSHDSQTVLVHUMS-UONOGXRCSA-N 2 0 283.460 1.953 10 0 CDAERP COCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+](C)C(C)C ZINC001421641841 955447643 /nfs/dbraw/zinc/44/76/43/955447643.db2.gz SXMOJYCCGHAEGK-CABCVRRESA-N 2 0 297.443 1.038 10 0 CDAERP CCCCC[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001328835095 955499852 /nfs/dbraw/zinc/49/98/52/955499852.db2.gz KOPVULZBAFWJBC-YMAMQOFZSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001329053791 955655228 /nfs/dbraw/zinc/65/52/28/955655228.db2.gz IOEYDMAWPCDAFK-UONOGXRCSA-N 2 0 281.444 1.920 10 0 CDAERP CO[C@H](C)C[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001493805936 972116835 /nfs/dbraw/zinc/11/68/35/972116835.db2.gz BLKGSKGCUOGBTR-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP COCCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001329102277 955685864 /nfs/dbraw/zinc/68/58/64/955685864.db2.gz CVSAOYMQRMPFEQ-UONOGXRCSA-N 2 0 299.459 1.380 10 0 CDAERP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001365223474 955746083 /nfs/dbraw/zinc/74/60/83/955746083.db2.gz YJPBFLUQECAHFU-JONQDZQNSA-N 2 0 293.455 1.707 10 0 CDAERP CC[C@H](C)C[NH2+]CC1CC(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001422270414 955907226 /nfs/dbraw/zinc/90/72/26/955907226.db2.gz HQBNWASOTCZYTA-HLIUYOAVSA-N 2 0 295.471 1.859 10 0 CDAERP CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001316682443 955993510 /nfs/dbraw/zinc/99/35/10/955993510.db2.gz BCIAGHOAFWLGRM-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001422545969 956135734 /nfs/dbraw/zinc/13/57/34/956135734.db2.gz CSPSKZYMXIAUGE-BFHYXJOUSA-N 2 0 271.449 1.713 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1cncs1 ZINC001422615105 956194224 /nfs/dbraw/zinc/19/42/24/956194224.db2.gz CFFZJBRRBIFMNX-LLVKDONJSA-N 2 0 284.429 1.078 10 0 CDAERP CC[C@H](C(=O)NC[C@H]1CCCCC[N@@H+]1CCCO)[NH+](C)C ZINC001422701381 956267773 /nfs/dbraw/zinc/26/77/73/956267773.db2.gz NYQIZHACXBCQQQ-HUUCEWRRSA-N 2 0 299.459 1.070 10 0 CDAERP C[NH+](C)CCC(=O)NCC[C@H]1CC[N@H+](CC2CC2)C1 ZINC001494048612 972167591 /nfs/dbraw/zinc/16/75/91/972167591.db2.gz QHXGSNMOKLOHAV-AWEZNQCLSA-N 2 0 267.417 1.176 10 0 CDAERP C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CN(C/C=C/Cl)C1 ZINC001422757154 956311136 /nfs/dbraw/zinc/31/11/36/956311136.db2.gz ZPMPJYOFOBLMHN-CBSYICTRSA-N 2 0 299.846 1.517 10 0 CDAERP CCC[N@H+](CCO)[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001365875474 956418366 /nfs/dbraw/zinc/41/83/66/956418366.db2.gz MWJUAXNYQFCDMQ-OAHLLOKOSA-N 2 0 299.459 1.022 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1CCC[N@H+](CCC(C)C)C1)[NH+](C)C ZINC001365940663 956461153 /nfs/dbraw/zinc/46/11/53/956461153.db2.gz PXNWJSIXANGGAH-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CCC(=O)O2)[C@H](C)C1 ZINC001330548017 956473559 /nfs/dbraw/zinc/47/35/59/956473559.db2.gz VABLXSKHGRYALB-AGIUHOORSA-N 2 0 254.374 1.354 10 0 CDAERP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@H](C[NH2+]CC1CC1)C1CC1 ZINC001422994180 956497775 /nfs/dbraw/zinc/49/77/75/956497775.db2.gz MVJIWCCTSULYJO-GOEBONIOSA-N 2 0 293.455 1.565 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC12CC[NH+](C(C)C)CC2 ZINC001366010915 956510105 /nfs/dbraw/zinc/51/01/05/956510105.db2.gz CJPUYSLAAUWBSR-CQSZACIVSA-N 2 0 281.444 1.706 10 0 CDAERP C[C@@H](F)CC[NH+]1CCC2(C[C@@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001366024490 956519267 /nfs/dbraw/zinc/51/92/67/956519267.db2.gz SFHKYDHUOQIKJP-KGLIPLIRSA-N 2 0 299.434 1.657 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001423028891 956522887 /nfs/dbraw/zinc/52/28/87/956522887.db2.gz OZJHAOJLAFNVOB-LSDHHAIUSA-N 2 0 299.434 1.561 10 0 CDAERP O=C(N[C@H]1C[C@H]([NH2+]C/C=C/Cl)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001366116312 956576397 /nfs/dbraw/zinc/57/63/97/956576397.db2.gz MGLNQQZBTWTSIZ-KSEGHOOOSA-N 2 0 297.830 1.318 10 0 CDAERP CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001366148491 956603604 /nfs/dbraw/zinc/60/36/04/956603604.db2.gz URQYCGDKMMLPCN-FRRDWIJNSA-N 2 0 273.396 1.313 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001366162624 956611753 /nfs/dbraw/zinc/61/17/53/956611753.db2.gz PJCTVMABWOEUGU-AEGPPILISA-N 2 0 299.434 1.703 10 0 CDAERP CC[C@H](F)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001423204894 956669447 /nfs/dbraw/zinc/66/94/47/956669447.db2.gz ZOSJOJLMAAWPFP-RYUDHWBXSA-N 2 0 271.380 1.067 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)[NH2+]CC1CC(F)(F)C1)[NH+](C)C ZINC001366302017 956722561 /nfs/dbraw/zinc/72/25/61/956722561.db2.gz TYSJYWRGMTUHDY-CMPLNLGQSA-N 2 0 291.386 1.466 10 0 CDAERP CC(C)[N@@H+]1CC[C@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@H]12 ZINC001423345948 956732530 /nfs/dbraw/zinc/73/25/30/956732530.db2.gz HIJLTTKXNFZZAC-WMLDXEAASA-N 2 0 293.455 1.850 10 0 CDAERP C[N@H+](CCCNC(=O)C[NH+]1CCCC1)CC1CCC1 ZINC001316865580 956768035 /nfs/dbraw/zinc/76/80/35/956768035.db2.gz NDHZFDPFNXHWDK-UHFFFAOYSA-N 2 0 267.417 1.320 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]Cc2ccon2)CCN1C(=O)CC[NH+](C)C ZINC001423457266 956793778 /nfs/dbraw/zinc/79/37/78/956793778.db2.gz HHHQLSXDUCOXDC-CHWSQXEVSA-N 2 0 294.399 1.095 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@]1(C)CC[NH+](CC2CC(C)C2)C1 ZINC001423593320 956892045 /nfs/dbraw/zinc/89/20/45/956892045.db2.gz LHLNVLRBBVUPTK-DQPZFDDXSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)OCC[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001423603518 956900306 /nfs/dbraw/zinc/90/03/06/956900306.db2.gz XOBBXSCZQFNRPM-MRXNPFEDSA-N 2 0 297.443 1.088 10 0 CDAERP CCCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CC2CC2)C1 ZINC001366819958 957201759 /nfs/dbraw/zinc/20/17/59/957201759.db2.gz UXOQGEZRAONDMW-CVEARBPZSA-N 2 0 293.455 1.661 10 0 CDAERP CC(C)CCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001317063921 957237334 /nfs/dbraw/zinc/23/73/34/957237334.db2.gz BDIVFZXTDFUWIG-INIZCTEOSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]CC1CCCC1 ZINC001424485787 957251033 /nfs/dbraw/zinc/25/10/33/957251033.db2.gz PUBODWWRNMDWMN-HIFRSBDPSA-N 2 0 281.444 1.565 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1CCC(C)([NH2+]C[C@H](C)O)CC1 ZINC001424490413 957253723 /nfs/dbraw/zinc/25/37/23/957253723.db2.gz JZWOLQPCGAMKDI-AWEZNQCLSA-N 2 0 299.459 1.070 10 0 CDAERP C[C@H](F)CC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001366901032 957256951 /nfs/dbraw/zinc/25/69/51/957256951.db2.gz JPMOQWKVIKCBHX-STQMWFEESA-N 2 0 273.396 1.267 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CCCF ZINC001424554499 957270047 /nfs/dbraw/zinc/27/00/47/957270047.db2.gz YEMVWYZNAXSEAP-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP COC[C@H](C)[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001424595362 957282306 /nfs/dbraw/zinc/28/23/06/957282306.db2.gz GURKTGPTCHSOPZ-AJNGGQMLSA-N 2 0 299.459 1.236 10 0 CDAERP O=C(CCc1c[nH]cn1)N1CCC[C@@H](C[NH2+]CCCF)C1 ZINC001317149559 957307841 /nfs/dbraw/zinc/30/78/41/957307841.db2.gz JNPWIIMNZWMXKY-ZDUSSCGKSA-N 2 0 296.390 1.530 10 0 CDAERP CC(C)CC[NH+]1CC(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001494564357 972257958 /nfs/dbraw/zinc/25/79/58/972257958.db2.gz SWCRFHWMVDAHSL-INIZCTEOSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H](C)[NH2+]Cc1ccccc1 ZINC001424844307 957380303 /nfs/dbraw/zinc/38/03/03/957380303.db2.gz SBYCGZKWDNZDIF-HUUCEWRRSA-N 2 0 289.423 1.765 10 0 CDAERP CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001332051892 957415599 /nfs/dbraw/zinc/41/55/99/957415599.db2.gz VTCVOEMEBFCRKA-KGLIPLIRSA-N 2 0 269.433 1.707 10 0 CDAERP CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)CC)C[C@H]2C1 ZINC001425385176 957523386 /nfs/dbraw/zinc/52/33/86/957523386.db2.gz UQTQMMLADXLEIN-HRCADAONSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](F)CC[N@H+](C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001425435110 957533418 /nfs/dbraw/zinc/53/34/18/957533418.db2.gz YAQZESJAMAUKGM-CQSZACIVSA-N 2 0 299.434 1.753 10 0 CDAERP CC(C)=CC[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CC1(C)C ZINC001332404319 957549625 /nfs/dbraw/zinc/54/96/25/957549625.db2.gz HIKDKCHOUVTTNM-CABCVRRESA-N 2 0 293.455 1.873 10 0 CDAERP C[C@H](CN(C)C(=O)C1([NH+](C)C)CCC1)[NH2+]CC[C@H](C)F ZINC001425559030 957568529 /nfs/dbraw/zinc/56/85/29/957568529.db2.gz PUSBYFHJEHDRBC-QWHCGFSZSA-N 2 0 287.423 1.655 10 0 CDAERP C(C[NH2+][C@H]1CCOC12CCOCC2)C[NH+]1CCCC1 ZINC001332834002 957868693 /nfs/dbraw/zinc/86/86/93/957868693.db2.gz PVQLQSMRSJAZGQ-AWEZNQCLSA-N 2 0 268.401 1.400 10 0 CDAERP CC[N@@H+]1CCC[C@H](CN[C@H]2CC[NH2+]C23CCC3)C1 ZINC001332875460 957908242 /nfs/dbraw/zinc/90/82/42/957908242.db2.gz BBCGPPMUAWSROW-KGLIPLIRSA-N 2 0 251.418 1.593 10 0 CDAERP CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001367382114 957979986 /nfs/dbraw/zinc/97/99/86/957979986.db2.gz NAIYDWVFRQLVMI-IUODEOHRSA-N 2 0 287.423 1.655 10 0 CDAERP CCOCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001318480552 958126869 /nfs/dbraw/zinc/12/68/69/958126869.db2.gz XTOHZLIXEIFIMZ-HUUCEWRRSA-N 2 0 297.443 1.040 10 0 CDAERP C[C@H](C[NH2+]Cc1cccnc1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001367671267 958196841 /nfs/dbraw/zinc/19/68/41/958196841.db2.gz UWMDJIMHIIQNMY-UMVBOHGHSA-N 2 0 290.411 1.016 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC2(C[NH2+]CCF)CCCC2)C1 ZINC001318654220 958212100 /nfs/dbraw/zinc/21/21/00/958212100.db2.gz NEJKXLDGEWIJEM-CYBMUJFWSA-N 2 0 285.407 1.316 10 0 CDAERP CCC[NH2+]CC1(NC(=O)C23CC[NH+](CC2)C3)CCCC1 ZINC001318665073 958219569 /nfs/dbraw/zinc/21/95/69/958219569.db2.gz QKGUHFDUTTUSBK-UHFFFAOYSA-N 2 0 279.428 1.511 10 0 CDAERP C[C@H](C[NH2+]Cc1ccc(CF)cc1)NC(=O)CC[NH+](C)C ZINC001367696977 958227425 /nfs/dbraw/zinc/22/74/25/958227425.db2.gz TXKMPOFXUZUTHN-CYBMUJFWSA-N 2 0 295.402 1.702 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccsc1)[NH+](C)C ZINC001367740096 958289222 /nfs/dbraw/zinc/28/92/22/958289222.db2.gz ZWSJFUWVBLFWNK-JSGCOSHPSA-N 2 0 297.468 1.929 10 0 CDAERP CCCC[NH2+]C[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001319281006 958472025 /nfs/dbraw/zinc/47/20/25/958472025.db2.gz BPEOHVCAGSEZII-CYBMUJFWSA-N 2 0 255.406 1.224 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1CC[N@@H+]1CC1CCC1 ZINC001367943333 958503111 /nfs/dbraw/zinc/50/31/11/958503111.db2.gz FPHDRHGIYVSHMN-LSDHHAIUSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N1CCCC[C@@H]1CC[NH2+]C[C@H](C)O ZINC001319789831 958724893 /nfs/dbraw/zinc/72/48/93/958724893.db2.gz DLILHGJVCMSVQT-LSDHHAIUSA-N 2 0 299.459 1.068 10 0 CDAERP CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CCCC[NH+](C)C ZINC001320171116 958986946 /nfs/dbraw/zinc/98/69/46/958986946.db2.gz KPUSTRBDZFZAPV-KGLIPLIRSA-N 2 0 269.433 1.613 10 0 CDAERP CC[C@H](C)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001368670697 959027916 /nfs/dbraw/zinc/02/79/16/959027916.db2.gz MAGHTWKBHONSMC-LSDHHAIUSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](CC[NH2+]CC1CCC1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001320464179 959187310 /nfs/dbraw/zinc/18/73/10/959187310.db2.gz MYTKOVBVFIUKLR-UKRRQHHQSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H](CC[NH2+]CCCF)NC(=O)CC1CC[NH+](C)CC1 ZINC001320571052 959248577 /nfs/dbraw/zinc/24/85/77/959248577.db2.gz UOENLTRPJILGKW-CYBMUJFWSA-N 2 0 287.423 1.562 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CCc1cccs1 ZINC001368976758 959351409 /nfs/dbraw/zinc/35/14/09/959351409.db2.gz XQFJNPBPUFRFPM-CYBMUJFWSA-N 2 0 297.468 1.679 10 0 CDAERP C[NH+](C)CCCC(=O)NC[C@@H]1[C@H]2C[N@@H+](CCC3CC3)C[C@H]21 ZINC001369122401 959472328 /nfs/dbraw/zinc/47/23/28/959472328.db2.gz DVWOQTPFJLNEAL-PHZGNYQRSA-N 2 0 293.455 1.422 10 0 CDAERP C[C@H](F)CC[NH2+]CC1(NC(=O)CC[NH+](C)C)CCCC1 ZINC001495188610 972435507 /nfs/dbraw/zinc/43/55/07/972435507.db2.gz YQGGFUPSBNYFHE-ZDUSSCGKSA-N 2 0 287.423 1.705 10 0 CDAERP CC[C@@H](F)C[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001321064967 959569127 /nfs/dbraw/zinc/56/91/27/959569127.db2.gz PUMCSYNILWHQCK-LHHWMGCDSA-N 2 0 285.407 1.337 10 0 CDAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCC1CC1 ZINC001321842882 959981306 /nfs/dbraw/zinc/98/13/06/959981306.db2.gz ZGGVUFKAVJRFNW-ZFWWWQNUSA-N 2 0 281.444 1.754 10 0 CDAERP CCOCC[N@H+](C)C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001322197932 960129570 /nfs/dbraw/zinc/12/95/70/960129570.db2.gz XHRNXJZXVXYKSZ-CQSZACIVSA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1cc(C)ns1)[NH+](C)C ZINC001371366217 972490188 /nfs/dbraw/zinc/49/01/88/972490188.db2.gz VQDZYVNWNMJPKN-AAEUAGOBSA-N 2 0 298.456 1.386 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CCF)C1CC1 ZINC001323081140 960436342 /nfs/dbraw/zinc/43/63/42/960436342.db2.gz NSVSHTFULCWLAI-GJZGRUSLSA-N 2 0 299.434 1.703 10 0 CDAERP CC(C)[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001371474228 972524845 /nfs/dbraw/zinc/52/48/45/972524845.db2.gz MCKJORSGKVGCHZ-CABCVRRESA-N 2 0 283.460 2.000 10 0 CDAERP C[C@H]([NH2+]CCNC(=O)C1CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001559737014 960800788 /nfs/dbraw/zinc/80/07/88/960800788.db2.gz FHRNVXLYNCLUSC-ZFWWWQNUSA-N 2 0 293.455 1.755 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001418631852 960825717 /nfs/dbraw/zinc/82/57/17/960825717.db2.gz CSNDTGVRIIBMQX-CQSZACIVSA-N 2 0 297.443 1.086 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCCN1C/C=C\Cl ZINC001418636938 960833223 /nfs/dbraw/zinc/83/32/23/960833223.db2.gz HGHAWVYMGGKKNA-SCXUMTSISA-N 2 0 287.835 1.660 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1CCC(C)C ZINC001418637102 960833531 /nfs/dbraw/zinc/83/35/31/960833531.db2.gz OFNWIQPIPRWGOM-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)CC(C)(C)C1 ZINC001418832338 961076023 /nfs/dbraw/zinc/07/60/23/961076023.db2.gz ZRFQWMYJRIDSQT-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP COC[C@@H](C)[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001418834905 961078101 /nfs/dbraw/zinc/07/81/01/961078101.db2.gz UHMGHFHJCJDYEP-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001324248677 961264221 /nfs/dbraw/zinc/26/42/21/961264221.db2.gz AELZUUYBCHBIEF-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1CCC[N@H+](CCC2CC2)C1)[NH+](C)C ZINC001419094937 961366202 /nfs/dbraw/zinc/36/62/02/961366202.db2.gz MYLHRVHTZSCFBY-HUUCEWRRSA-N 2 0 281.444 1.707 10 0 CDAERP CCN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001419151625 961433691 /nfs/dbraw/zinc/43/36/91/961433691.db2.gz SHHXQHYKWMBNQV-HNNXBMFYSA-N 2 0 281.444 1.661 10 0 CDAERP COC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001419408279 961668933 /nfs/dbraw/zinc/66/89/33/961668933.db2.gz AAYQMYGMGMZOLF-MGPQQGTHSA-N 2 0 297.443 1.133 10 0 CDAERP Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2)on1 ZINC001419513199 961782074 /nfs/dbraw/zinc/78/20/74/961782074.db2.gz BFPQHOIKJVYSNQ-BETUJISGSA-N 2 0 294.399 1.060 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CC1CC1 ZINC001419668068 961943281 /nfs/dbraw/zinc/94/32/81/961943281.db2.gz PTKWVIIBYCGRDA-UKRRQHHQSA-N 2 0 281.444 1.707 10 0 CDAERP CC(=O)N1CCC([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001339226391 962256451 /nfs/dbraw/zinc/25/64/51/962256451.db2.gz UKMMPXLUHVUZSC-LQDVMPOASA-N 2 0 265.401 1.118 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001420049409 962417796 /nfs/dbraw/zinc/41/77/96/962417796.db2.gz NTZQNEDWDMAACK-CQSZACIVSA-N 2 0 281.444 1.519 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H]1CCC[NH+](C(C)C)C1 ZINC001437059067 962578986 /nfs/dbraw/zinc/57/89/86/962578986.db2.gz MLQMRYZBIWUVMG-HUUCEWRRSA-N 2 0 283.460 1.952 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CC[C@H]([NH2+]C/C=C/Cl)C1 ZINC001437289329 962788231 /nfs/dbraw/zinc/78/82/31/962788231.db2.gz IOCMEMJXHWPIGL-PYEVWLCESA-N 2 0 271.792 1.025 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH2+]CC(C)C)C2)CC[N@@H+]1C ZINC001437304633 962795628 /nfs/dbraw/zinc/79/56/28/962795628.db2.gz OXHYVLMHQOZWEO-HRCADAONSA-N 2 0 295.471 1.811 10 0 CDAERP CC[N@H+](CCNC(=O)CC[NH+](C)C)C[C@H]1CCO[C@@H](C)C1 ZINC001420429478 962900753 /nfs/dbraw/zinc/90/07/53/962900753.db2.gz YOYYDUPBOUCEGL-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@H](C)C[N@H+](CC)CCNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001420453117 962925163 /nfs/dbraw/zinc/92/51/63/962925163.db2.gz GCOLOKLNOCKEET-RDJZCZTQSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[N@H+](C)CC1CCC1 ZINC001437567086 963021328 /nfs/dbraw/zinc/02/13/28/963021328.db2.gz WKPZMOWEKFOYLG-ZIAGYGMSSA-N 2 0 281.444 1.707 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC[N@@H+]2CCC(C)(C)C2)C1 ZINC001420569437 963073743 /nfs/dbraw/zinc/07/37/43/963073743.db2.gz LZVJWRRFGDSPAF-LSDHHAIUSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H]([NH2+]CCF)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001420752690 963221788 /nfs/dbraw/zinc/22/17/88/963221788.db2.gz DSJQEUXNQOHPIY-OCCSQVGLSA-N 2 0 285.407 1.267 10 0 CDAERP C[C@H]([NH2+]CCF)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001420752686 963223088 /nfs/dbraw/zinc/22/30/88/963223088.db2.gz DSJQEUXNQOHPIY-JSGCOSHPSA-N 2 0 285.407 1.267 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001420775978 963234397 /nfs/dbraw/zinc/23/43/97/963234397.db2.gz YYRXYROPJNNZSP-DZGCQCFKSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001437979406 963266999 /nfs/dbraw/zinc/26/69/99/963266999.db2.gz SKBWVRAONBCWRX-HOTGVXAUSA-N 2 0 295.471 1.907 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CCF)C1 ZINC001420936692 963367889 /nfs/dbraw/zinc/36/78/89/963367889.db2.gz HREVBUWRNPODFD-GJZGRUSLSA-N 2 0 299.434 1.609 10 0 CDAERP CC[NH2+][C@H](CC)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001438331319 963420092 /nfs/dbraw/zinc/42/00/92/963420092.db2.gz LGTWZJJTWXTVFJ-IUODEOHRSA-N 2 0 287.423 1.703 10 0 CDAERP CN(C(=O)CC[C@H]1CCC[N@@H+]1C)C1C[NH+](CC2CC2)C1 ZINC001421061203 963437375 /nfs/dbraw/zinc/43/73/75/963437375.db2.gz DFOKLTGUZXFJNV-CQSZACIVSA-N 2 0 279.428 1.413 10 0 CDAERP CC[NH+]1CCC(C)(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001421274147 963528866 /nfs/dbraw/zinc/52/88/66/963528866.db2.gz OCQGAWVRHPFDLA-CQSZACIVSA-N 2 0 281.444 1.566 10 0 CDAERP C[C@H](C[NH2+]CC1CC(C)(C)C1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001438722340 963533517 /nfs/dbraw/zinc/53/35/17/963533517.db2.gz LYUVMHBRJFBPCN-UKRRQHHQSA-N 2 0 295.471 1.811 10 0 CDAERP CC(C)CC[N@H+](C)CCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001438927338 963604950 /nfs/dbraw/zinc/60/49/50/963604950.db2.gz KQAWHWCDOXYAGJ-OAHLLOKOSA-N 2 0 283.460 1.765 10 0 CDAERP CCCC[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@H]21 ZINC001438955472 963611873 /nfs/dbraw/zinc/61/18/73/963611873.db2.gz VXQWZGJRTRAQRF-LSDHHAIUSA-N 2 0 281.444 1.661 10 0 CDAERP Cc1cc(C[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C)c(C)s1 ZINC001439247345 963690236 /nfs/dbraw/zinc/69/02/36/963690236.db2.gz VFKUTVRWWOKMSY-NSHDSACASA-N 2 0 297.468 1.911 10 0 CDAERP CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001439683377 963837407 /nfs/dbraw/zinc/83/74/07/963837407.db2.gz JDZGNPNPIMVGQN-MRXNPFEDSA-N 2 0 295.471 1.907 10 0 CDAERP CC[NH+]1CCC([C@H]2CCCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001440106584 963927861 /nfs/dbraw/zinc/92/78/61/963927861.db2.gz DQWYWRQWBAUUNF-INIZCTEOSA-N 2 0 295.471 1.909 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001441363653 964475246 /nfs/dbraw/zinc/47/52/46/964475246.db2.gz DXWDAOVCBFFADK-RBSFLKMASA-N 2 0 283.460 1.857 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)Cn2ccnc2)C1 ZINC001441370096 964477202 /nfs/dbraw/zinc/47/72/02/964477202.db2.gz ZTNJOJIWMUJEEN-JHJVBQTASA-N 2 0 282.363 1.116 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001441390444 964490856 /nfs/dbraw/zinc/49/08/56/964490856.db2.gz FUCUXOWOKMCKRN-ZUWCUPBKSA-N 2 0 285.407 1.312 10 0 CDAERP C[N@H+](CCCF)C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001441386496 964492953 /nfs/dbraw/zinc/49/29/53/964492953.db2.gz GYXPKBTXVGUGOA-CQSZACIVSA-N 2 0 299.434 1.611 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCCC[NH+]2CC2CC2)C1 ZINC001441659206 964642117 /nfs/dbraw/zinc/64/21/17/964642117.db2.gz MJGIGPMDUVISDI-HOTGVXAUSA-N 2 0 293.455 1.709 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1ccc(F)cn1)[NH+](C)C ZINC001441847217 964746297 /nfs/dbraw/zinc/74/62/97/964746297.db2.gz BXVJZOAPGGZNQF-SMDDNHRTSA-N 2 0 296.390 1.155 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001442181699 964897397 /nfs/dbraw/zinc/89/73/97/964897397.db2.gz SLPVMZPUZYXPPK-UONOGXRCSA-N 2 0 285.407 1.268 10 0 CDAERP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCC[NH+]3CC=CC3)C[N@@H+]2C1 ZINC001346177095 964969620 /nfs/dbraw/zinc/96/96/20/964969620.db2.gz DMKGHVCSCVMPIY-KFWWJZLASA-N 2 0 277.412 1.095 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC001443481978 965488111 /nfs/dbraw/zinc/48/81/11/965488111.db2.gz NBXXGHGNUSIHCY-CYBMUJFWSA-N 2 0 269.433 1.374 10 0 CDAERP CCN1CC[C@H]1C(=O)NCC[N@H+](C)C1CCCC1 ZINC001443778915 965603322 /nfs/dbraw/zinc/60/33/22/965603322.db2.gz VYUYSAQTEPMDPR-ZDUSSCGKSA-N 2 0 253.390 1.071 10 0 CDAERP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccns1 ZINC001444040332 965721054 /nfs/dbraw/zinc/72/10/54/965721054.db2.gz OOTFOIQWXCGVMV-GFCCVEGCSA-N 2 0 296.440 1.223 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC2(CC[N@H+](CCCF)C2)CC1 ZINC001444260104 965771008 /nfs/dbraw/zinc/77/10/08/965771008.db2.gz LKCGXGNGUMSYRL-UHFFFAOYSA-N 2 0 299.434 1.612 10 0 CDAERP C[C@@H](C[N@H+](C)CCC(F)(F)F)NC(=O)[C@@H]1CCC[NH+]1C ZINC001445690166 966286801 /nfs/dbraw/zinc/28/68/01/966286801.db2.gz RUYQXXHJWQIACF-QWRGUYRKSA-N 2 0 295.349 1.470 10 0 CDAERP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC001349419936 966344880 /nfs/dbraw/zinc/34/48/80/966344880.db2.gz CYUDWFJCOAUOQL-MGPQQGTHSA-N 2 0 267.417 1.447 10 0 CDAERP CC(C)[N@@H+]1CCCN(C(=O)[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC001349487898 966366286 /nfs/dbraw/zinc/36/62/86/966366286.db2.gz UMDMOHQLEHBKHT-KBPBESRZSA-N 2 0 267.417 1.447 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1CC[N@@H+]1CC1CC1 ZINC001446066123 966436056 /nfs/dbraw/zinc/43/60/56/966436056.db2.gz XEVCWXVEJMPAEY-UONOGXRCSA-N 2 0 285.407 1.267 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1CC[C@H]1CCCO1 ZINC001446120374 966455817 /nfs/dbraw/zinc/45/58/17/966455817.db2.gz FAFKMANSSZIAQF-HUUCEWRRSA-N 2 0 297.443 1.086 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC2(C1)CC[NH+](CC(C)C)CC2 ZINC001447105551 966699903 /nfs/dbraw/zinc/69/99/03/966699903.db2.gz YWHVDZYYMUYXPR-UHFFFAOYSA-N 2 0 295.471 1.909 10 0 CDAERP CCCN(CCC[NH+](C)C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001447923371 966929153 /nfs/dbraw/zinc/92/91/53/966929153.db2.gz VWOFDMWTUIXNMP-GJZGRUSLSA-N 2 0 283.460 1.907 10 0 CDAERP CC(C)CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001448015175 966963615 /nfs/dbraw/zinc/96/36/15/966963615.db2.gz LOZJHTLHFCIDGT-RBSFLKMASA-N 2 0 283.460 1.809 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCC[NH+]2CCCC2)C1 ZINC001539096526 967082647 /nfs/dbraw/zinc/08/26/47/967082647.db2.gz GBSGLKHNOCWOFL-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[NH+](CC(C)C)CC1(C)C ZINC001448421745 967106980 /nfs/dbraw/zinc/10/69/80/967106980.db2.gz VXTMSPJQOZOVLE-AWEZNQCLSA-N 2 0 283.460 1.811 10 0 CDAERP C[NH+](C)CCCC(=O)N1C[C@@H]([NH2+]CC2CC2)C(C)(C)C1 ZINC001449098020 967359545 /nfs/dbraw/zinc/35/95/45/967359545.db2.gz RKSTVEBMUVZQRA-CQSZACIVSA-N 2 0 281.444 1.565 10 0 CDAERP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC([NH2+]C/C=C/Cl)C1 ZINC001449410830 967453367 /nfs/dbraw/zinc/45/33/67/967453367.db2.gz LZMQPOWKHMMZJF-OWDOJFDHSA-N 2 0 285.819 1.270 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[C@H]2C[NH+](C)C[C@H]21 ZINC001458051122 969254656 /nfs/dbraw/zinc/25/46/56/969254656.db2.gz XOSBGIKOQZUVOT-GBJTYRQASA-N 2 0 279.428 1.317 10 0 CDAERP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC2=NOCC2)C1 ZINC001459628731 969440888 /nfs/dbraw/zinc/44/08/88/969440888.db2.gz OYRMYFGAVRWYRI-AWEZNQCLSA-N 2 0 269.389 1.195 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)CC[NH+](C)C)C1 ZINC001361966304 970722153 /nfs/dbraw/zinc/72/21/53/970722153.db2.gz CIOYBQDKQCDOFB-HUUCEWRRSA-N 2 0 283.460 1.765 10 0 CDAERP CCC[NH+]1CCC(CCNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001495539925 972533530 /nfs/dbraw/zinc/53/35/30/972533530.db2.gz HPMYBLUSBSPELJ-UHFFFAOYSA-N 2 0 283.460 1.955 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@H](C[NH2+]Cc2ccsc2)C1 ZINC001371605860 972565399 /nfs/dbraw/zinc/56/53/99/972565399.db2.gz MIDIWWVROIFTIZ-CYBMUJFWSA-N 2 0 295.452 1.638 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCCC1 ZINC001495930270 972707074 /nfs/dbraw/zinc/70/70/74/972707074.db2.gz HODBLFQBQUQTAK-CQSZACIVSA-N 2 0 281.444 1.899 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]([NH2+]CC1CC1)C(C)C)[NH+](C)C ZINC001496570724 972976439 /nfs/dbraw/zinc/97/64/39/972976439.db2.gz OVXYXIHNOBXEGI-ZIAGYGMSSA-N 2 0 269.433 1.467 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC001372542993 973007538 /nfs/dbraw/zinc/00/75/38/973007538.db2.gz SQJXHRYVEJIBOF-OAHLLOKOSA-N 2 0 290.411 1.114 10 0 CDAERP CC(C)(C(=O)NC[C@H]1CC[N@H+](CC2CC2)C1)[NH+]1CCCC1 ZINC001372632465 973057321 /nfs/dbraw/zinc/05/73/21/973057321.db2.gz KDVJFQWSVSUPLP-OAHLLOKOSA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)=CC[N@@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001496729268 973069616 /nfs/dbraw/zinc/06/96/16/973069616.db2.gz GDLRMGCJBUWIET-OAHLLOKOSA-N 2 0 281.444 1.827 10 0 CDAERP Cc1noc(C)c1C[NH2+]CC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001497264354 973266790 /nfs/dbraw/zinc/26/67/90/973266790.db2.gz QXEMAMFZBKFHBJ-LLVKDONJSA-N 2 0 296.415 1.228 10 0 CDAERP C[C@@H](CC[NH2+]C/C=C\Cl)NC(=O)C[NH+]1CCCC1 ZINC001497323562 973285814 /nfs/dbraw/zinc/28/58/14/973285814.db2.gz PQXQAYLAEUMTRH-RNZFLTOJSA-N 2 0 273.808 1.319 10 0 CDAERP COCC[N@@H+]1CCC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001373395190 973413133 /nfs/dbraw/zinc/41/31/33/973413133.db2.gz IATZYKQKFAYGHV-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP C[NH+](C)CCC(=O)NC1C[NH+](CC2CC3(CCC3)C2)C1 ZINC001373454807 973446959 /nfs/dbraw/zinc/44/69/59/973446959.db2.gz RWWBRJRAKLUNAR-UHFFFAOYSA-N 2 0 279.428 1.319 10 0 CDAERP Cc1cc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)cs1 ZINC001497983833 973598455 /nfs/dbraw/zinc/59/84/55/973598455.db2.gz NMMRDCBFJFRISQ-RISCZKNCSA-N 2 0 295.452 1.603 10 0 CDAERP C[C@@H](C[NH2+]CCC1CC1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001498060008 973653829 /nfs/dbraw/zinc/65/38/29/973653829.db2.gz KAUBQEQMYWUKPO-GXTWGEPZSA-N 2 0 267.417 1.365 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[NH+](CC)[C@@H](C)C1 ZINC001418249943 973695309 /nfs/dbraw/zinc/69/53/09/973695309.db2.gz FYYKOAMKZXWJGV-QLFBSQMISA-N 2 0 281.444 1.802 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001418427580 973819504 /nfs/dbraw/zinc/81/95/04/973819504.db2.gz QLXUGTBRXFTDNJ-ZIAGYGMSSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001374219514 973842502 /nfs/dbraw/zinc/84/25/02/973842502.db2.gz PFUQKECKXDGQSF-LSDHHAIUSA-N 2 0 283.460 1.952 10 0 CDAERP C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1C[NH2+]CC1CC1 ZINC001374395106 973918085 /nfs/dbraw/zinc/91/80/85/973918085.db2.gz JFLALAMPAODNGZ-DZGCQCFKSA-N 2 0 281.444 1.565 10 0 CDAERP Cc1cncn1CC(=O)N(C)CCN(C)C/C=C/Cl ZINC001374517157 973991249 /nfs/dbraw/zinc/99/12/49/973991249.db2.gz KVBSBIUEAWTUNF-SNAWJCMRSA-N 2 0 284.791 1.334 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N(C)CCC[NH2+]CCCF)CC[N@@H+]1C ZINC001498600310 973994549 /nfs/dbraw/zinc/99/45/49/973994549.db2.gz GEQQXTLXAYTPBB-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP CCCCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001499057149 974172887 /nfs/dbraw/zinc/17/28/87/974172887.db2.gz NEYQJMHBJRBFQL-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](F)C[NH+](CC)CC ZINC001499898033 974328645 /nfs/dbraw/zinc/32/86/45/974328645.db2.gz XXPKIJYYPNBCGC-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP CC[C@H](C(=O)NC[C@H]1CC[N@@H+]1CC1CCCC1)[NH+](C)C ZINC001375319502 974334152 /nfs/dbraw/zinc/33/41/52/974334152.db2.gz LDNUSNBCVIBDDA-HUUCEWRRSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001375374779 974355273 /nfs/dbraw/zinc/35/52/73/974355273.db2.gz UQESGLRQFDNCGV-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)[N@@H+]1CC[C@](C)(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001375835249 974492310 /nfs/dbraw/zinc/49/23/10/974492310.db2.gz YUFGCYFXCQOYEB-ZBFHGGJFSA-N 2 0 281.444 1.850 10 0 CDAERP CCC(CC)C[N@@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001375848477 974495710 /nfs/dbraw/zinc/49/57/10/974495710.db2.gz YSINFURSEZTSOP-INIZCTEOSA-N 2 0 283.460 1.955 10 0 CDAERP CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CCOCC1 ZINC001375981510 974528778 /nfs/dbraw/zinc/52/87/78/974528778.db2.gz GVDYZCNVDFBYAT-AWEZNQCLSA-N 2 0 297.443 1.136 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001376287970 974622607 /nfs/dbraw/zinc/62/26/07/974622607.db2.gz ALEIRKKUUNHBDN-HOTGVXAUSA-N 2 0 295.471 1.909 10 0 CDAERP CO[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001376386863 974648350 /nfs/dbraw/zinc/64/83/50/974648350.db2.gz BIFFQDYCWAVYSP-IHRRRGAJSA-N 2 0 297.443 1.133 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH2+]CC3CC3)CCC2)C1 ZINC001376809878 974779054 /nfs/dbraw/zinc/77/90/54/974779054.db2.gz OOWWAWPOOGZSHM-CQSZACIVSA-N 2 0 279.428 1.367 10 0 CDAERP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]CCc1ccccc1 ZINC001505685296 974962275 /nfs/dbraw/zinc/96/22/75/974962275.db2.gz GLBGCADOFFGSMG-GJZGRUSLSA-N 2 0 291.439 1.664 10 0 CDAERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H](C)[NH2+]Cc1ccns1 ZINC001505754391 974982270 /nfs/dbraw/zinc/98/22/70/974982270.db2.gz RTGQYDZCDVLEJQ-VXGBXAGGSA-N 2 0 296.440 1.222 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H](C)n1ccnc1 ZINC001377405209 975010448 /nfs/dbraw/zinc/01/04/48/975010448.db2.gz NDMUTDIGWYTLNP-ZIAGYGMSSA-N 2 0 278.400 1.823 10 0 CDAERP CC[C@H](C(=O)NC[C@H]1CC[N@H+](CC2CCCC2)C1)[NH+](C)C ZINC001377472936 975041833 /nfs/dbraw/zinc/04/18/33/975041833.db2.gz YIHZLCKUAWFQQM-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP COCC[N@H+](C)[C@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001506014914 975085883 /nfs/dbraw/zinc/08/58/83/975085883.db2.gz KZSMKXNMTUPLFV-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP Cc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CC[NH+](C)C)cc1 ZINC001377845530 975154198 /nfs/dbraw/zinc/15/41/98/975154198.db2.gz DOCTWQRJZAZBAN-GJZGRUSLSA-N 2 0 291.439 1.930 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001377845971 975154848 /nfs/dbraw/zinc/15/48/48/975154848.db2.gz FWURNPQZTQNYNY-KBPBESRZSA-N 2 0 283.460 1.857 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccns1 ZINC001377877088 975164584 /nfs/dbraw/zinc/16/45/84/975164584.db2.gz FECMQHADRFYLSS-VXGBXAGGSA-N 2 0 298.456 1.468 10 0 CDAERP CCC[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCCCC1 ZINC001506525143 975173748 /nfs/dbraw/zinc/17/37/48/975173748.db2.gz CFLPRQPCGKXNDT-CQSZACIVSA-N 2 0 281.444 1.757 10 0 CDAERP CCCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001506780612 975222623 /nfs/dbraw/zinc/22/26/23/975222623.db2.gz YKGGMIPXBJHDNF-JONQDZQNSA-N 2 0 293.455 1.565 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001507153692 975356832 /nfs/dbraw/zinc/35/68/32/975356832.db2.gz IWGNTVZSIFQAFB-AWEZNQCLSA-N 2 0 267.417 1.485 10 0 CDAERP CCOCCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H]1C ZINC001507295508 975401716 /nfs/dbraw/zinc/40/17/16/975401716.db2.gz NDFQTRQSZJLKED-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CC1CC[NH+](CC(=O)N[C@H]2CC[C@@H](C[NH2+]CCF)C2)CC1 ZINC001507413957 975460000 /nfs/dbraw/zinc/46/00/00/975460000.db2.gz CTQTWCIVIYCZGD-CABCVRRESA-N 2 0 299.434 1.562 10 0 CDAERP CC(C)[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001397139274 975477906 /nfs/dbraw/zinc/47/79/06/975477906.db2.gz IGTYZSQEAKWTRJ-AJNGGQMLSA-N 2 0 281.444 1.752 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1C[C@@H]1CCCCO1 ZINC001397250162 975515756 /nfs/dbraw/zinc/51/57/56/975515756.db2.gz DSPZYOAEIIRRBX-ILXRZTDVSA-N 2 0 297.443 1.086 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001507628300 975517443 /nfs/dbraw/zinc/51/74/43/975517443.db2.gz SEQPBSRGJHVGRL-GJZGRUSLSA-N 2 0 299.459 1.019 10 0 CDAERP CCC[NH2+]C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C(C)(C)C ZINC001508022010 975579820 /nfs/dbraw/zinc/57/98/20/975579820.db2.gz HFHPGMLCRXCRMN-QWHCGFSZSA-N 2 0 271.449 1.857 10 0 CDAERP CN(CC[N@H+](C)CCC1CC1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001401365569 975618882 /nfs/dbraw/zinc/61/88/82/975618882.db2.gz AWASLXGJYVFICJ-INIZCTEOSA-N 2 0 293.455 1.519 10 0 CDAERP CC(C)C[NH2+]C1CC(N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001508141735 975623077 /nfs/dbraw/zinc/62/30/77/975623077.db2.gz SPZAWTMIGBNCDE-UHFFFAOYSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N(C)C[C@@H]2CC[NH+]2CC2CC2)C1 ZINC001397561252 975631729 /nfs/dbraw/zinc/63/17/29/975631729.db2.gz AEWIOLQJDZWDGN-ZFWWWQNUSA-N 2 0 279.428 1.271 10 0 CDAERP C[C@@H]1[C@H](C(=O)N[C@](C)(C[NH2+]CC2CC2)C2CC2)CC[N@@H+]1C ZINC001405445371 975747919 /nfs/dbraw/zinc/74/79/19/975747919.db2.gz XQTPPSIMQUOSTF-SRCQZFHVSA-N 2 0 293.455 1.611 10 0 CDAERP CN(C(=O)CC[NH+](C)C)C1CC[NH+](C/C=C/Cl)CC1 ZINC001389326346 975770093 /nfs/dbraw/zinc/77/00/93/975770093.db2.gz JAMCLQYHQNNLOI-XBXARRHUSA-N 2 0 287.835 1.613 10 0 CDAERP CC[C@H](C[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)C(C)C)OC ZINC001405606035 975784510 /nfs/dbraw/zinc/78/45/10/975784510.db2.gz MJZLQTMDSGHKEC-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP C[C@@H](C[NH2+][C@@H](C)c1ccccc1F)NC(=O)CC[NH+](C)C ZINC001401699592 975809078 /nfs/dbraw/zinc/80/90/78/975809078.db2.gz MZFFLMYVQJJYPS-STQMWFEESA-N 2 0 295.402 1.933 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+]CC1CC(C)C1 ZINC001405721526 975830841 /nfs/dbraw/zinc/83/08/41/975830841.db2.gz UFLKSYNKOJCCCN-SLTAFYQDSA-N 2 0 283.460 1.715 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1CC[N@H+](CCCF)C1 ZINC001389451537 975834332 /nfs/dbraw/zinc/83/43/32/975834332.db2.gz KEYUEYWCGUMHPO-CHWSQXEVSA-N 2 0 291.386 1.216 10 0 CDAERP C[C@H]([NH2+]CC1CC1)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001398203456 975887709 /nfs/dbraw/zinc/88/77/09/975887709.db2.gz JTADMNYOLAPWHS-DZGCQCFKSA-N 2 0 281.444 1.707 10 0 CDAERP COCC[N@H+](C)CCC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001405982573 975952432 /nfs/dbraw/zinc/95/24/32/975952432.db2.gz CKFVSBRDYJOZTI-UHFFFAOYSA-N 2 0 299.459 1.145 10 0 CDAERP CC[C@H](C(=O)NC[C@H]([NH2+]C/C=C/Cl)C1CC1)[NH+](C)C ZINC001398397708 975971486 /nfs/dbraw/zinc/97/14/86/975971486.db2.gz QFULGJXKTICCQI-DGYDABPTSA-N 2 0 287.835 1.564 10 0 CDAERP CC(C)CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001398453516 975991696 /nfs/dbraw/zinc/99/16/96/975991696.db2.gz IUBFLMDSWMSCFO-LSDHHAIUSA-N 2 0 281.444 1.469 10 0 CDAERP CCC[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001401957608 976039064 /nfs/dbraw/zinc/03/90/64/976039064.db2.gz STKPLDOINLXYES-KGLIPLIRSA-N 2 0 279.428 1.652 10 0 CDAERP C[C@@H](F)CC[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001401976317 976057174 /nfs/dbraw/zinc/05/71/74/976057174.db2.gz JUQYIUPAQVIRKY-GFCCVEGCSA-N 2 0 283.391 1.069 10 0 CDAERP C[C@@H](C[N@H+](C)CCCC1CCC1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001379785969 976077821 /nfs/dbraw/zinc/07/78/21/976077821.db2.gz SACIMADGEALEOR-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[C@H](C)O2)C1 ZINC001390012245 976085094 /nfs/dbraw/zinc/08/50/94/976085094.db2.gz QWTMKEJQFKYJJA-XQLPTFJDSA-N 2 0 297.443 1.133 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001406182692 976086700 /nfs/dbraw/zinc/08/67/00/976086700.db2.gz IPDZBLXEBRAFIF-GJZGRUSLSA-N 2 0 293.455 1.613 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]Cc1nccs1 ZINC001402053372 976099711 /nfs/dbraw/zinc/09/97/11/976099711.db2.gz CMNGBAQQQYLUJR-GFCCVEGCSA-N 2 0 296.440 1.175 10 0 CDAERP CCC(CC)C[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001402060629 976105154 /nfs/dbraw/zinc/10/51/54/976105154.db2.gz RJRIVQSOBGJKSZ-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H](NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001379898909 976118697 /nfs/dbraw/zinc/11/86/97/976118697.db2.gz YWKLWFUQDZZVGL-CJNGLKHVSA-N 2 0 295.471 1.859 10 0 CDAERP Cc1cc(C)cc(C[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C)c1 ZINC001406404644 976167706 /nfs/dbraw/zinc/16/77/06/976167706.db2.gz JHQVBUJROQSXLY-OAHLLOKOSA-N 2 0 291.439 1.849 10 0 CDAERP CC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C(F)(F)F ZINC001380146317 976260885 /nfs/dbraw/zinc/26/08/85/976260885.db2.gz FAQDFONXSJCNBF-WDEREUQCSA-N 2 0 295.349 1.327 10 0 CDAERP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1ccsc1 ZINC001390410483 976281990 /nfs/dbraw/zinc/28/19/90/976281990.db2.gz YVRQINOQYRUSML-LBPRGKRZSA-N 2 0 295.452 1.827 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001402461489 976294940 /nfs/dbraw/zinc/29/49/40/976294940.db2.gz KTDVUHKZZNHVOX-OLZOCXBDSA-N 2 0 271.380 1.021 10 0 CDAERP CC[C@@H](C[NH2+]C[C@H]1CCCN1C(=O)C[NH+]1CCCC1)OC ZINC001380289843 976335028 /nfs/dbraw/zinc/33/50/28/976335028.db2.gz JNIZDVRJLLKCOE-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)C[C@H](C)C[NH2+][C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001390516088 976345424 /nfs/dbraw/zinc/34/54/24/976345424.db2.gz XJWRQZHFVRWRBN-LSDHHAIUSA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCCC2)C1 ZINC001402551201 976353497 /nfs/dbraw/zinc/35/34/97/976353497.db2.gz MFOOAPZWTJORLP-SHTZXODSSA-N 2 0 281.444 1.754 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]2C[NH+](CCF)CC[C@@H]21 ZINC001402588256 976378245 /nfs/dbraw/zinc/37/82/45/976378245.db2.gz UHHXJWHZTCGYDA-CABCVRRESA-N 2 0 299.434 1.609 10 0 CDAERP CO[C@@H](C)C[N@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001492879808 976387781 /nfs/dbraw/zinc/38/77/81/976387781.db2.gz XDSIJCLVCRPJOI-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC[C@@H]2CCCO2)C1)[NH+](C)C ZINC001402612703 976392857 /nfs/dbraw/zinc/39/28/57/976392857.db2.gz URSNDMXIXHABOL-XGUBFFRZSA-N 2 0 297.443 1.133 10 0 CDAERP Cc1cnc([C@H](C)[NH2+][C@H](C)CCNC(=O)CC[NH+](C)C)o1 ZINC001390697442 976441186 /nfs/dbraw/zinc/44/11/86/976441186.db2.gz GFDSGYYVGALDSG-YPMHNXCESA-N 2 0 296.415 1.480 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001390695406 976442273 /nfs/dbraw/zinc/44/22/73/976442273.db2.gz CKXQUHHAPXQFQB-TZMCWYRMSA-N 2 0 287.423 1.561 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1CC[C@@H](C)F ZINC001406881916 976447186 /nfs/dbraw/zinc/44/71/86/976447186.db2.gz HYZFSULJQSBKMY-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1cncc(C)c1)[NH+](C)C ZINC001402908787 976580015 /nfs/dbraw/zinc/58/00/15/976580015.db2.gz ASTFMRNRSNBCOI-DZGCQCFKSA-N 2 0 292.427 1.325 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCC[NH+]2CC2CC2)C1 ZINC001399883718 976713720 /nfs/dbraw/zinc/71/37/20/976713720.db2.gz YDPKIEUZYLCIPF-ZFWWWQNUSA-N 2 0 279.428 1.319 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NCC[NH+](CC2CCC2)C2CC2)C1 ZINC001391196984 976755328 /nfs/dbraw/zinc/75/53/28/976755328.db2.gz HDIMPIBTHVMAGH-OAHLLOKOSA-N 2 0 293.455 1.709 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccns1 ZINC001381432938 976823202 /nfs/dbraw/zinc/82/32/02/976823202.db2.gz GPDGYHNCKGZYIX-VXGBXAGGSA-N 2 0 298.456 1.468 10 0 CDAERP C[C@@H](CNC(=O)Cc1cncn1C)[N@H+](C)CC1CCCC1 ZINC001381610841 976944749 /nfs/dbraw/zinc/94/47/49/976944749.db2.gz OKXULDXFHSUMBS-ZDUSSCGKSA-N 2 0 292.427 1.589 10 0 CDAERP Cc1nc(C[NH2+][C@H](C)CCNC(=O)CC[NH+](C)C)c(C)o1 ZINC001403429813 976949401 /nfs/dbraw/zinc/94/94/01/976949401.db2.gz JSGQIQZWCDCANQ-LLVKDONJSA-N 2 0 296.415 1.228 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cncs1 ZINC001391661754 977027769 /nfs/dbraw/zinc/02/77/69/977027769.db2.gz JXGPBNHAWPKXPQ-YPMHNXCESA-N 2 0 296.440 1.222 10 0 CDAERP CC[C@@H](C)C[NH+]1CC([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001381821463 977040224 /nfs/dbraw/zinc/04/02/24/977040224.db2.gz SNJHIBWQQBWHBP-ZIAGYGMSSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001400626376 977114386 /nfs/dbraw/zinc/11/43/86/977114386.db2.gz CYJAVOSHFIDBOF-HNNXBMFYSA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001400740566 977150545 /nfs/dbraw/zinc/15/05/45/977150545.db2.gz OVIRCIIQDRCLKB-HNNXBMFYSA-N 2 0 283.460 1.905 10 0 CDAERP CCC(CC)C[NH2+]C[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001391951715 977162263 /nfs/dbraw/zinc/16/22/63/977162263.db2.gz QECKGRWHZWTAMU-AWEZNQCLSA-N 2 0 295.471 1.860 10 0 CDAERP CC[C@H](C(=O)N(CC)[C@H]1CC[N@H+](CC(C)C)C1)[NH+](C)C ZINC001400741595 977167887 /nfs/dbraw/zinc/16/78/87/977167887.db2.gz GFAFAGJWXUDHPY-LSDHHAIUSA-N 2 0 283.460 1.905 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCF)[C@@H]2C1 ZINC001403775705 977186099 /nfs/dbraw/zinc/18/60/99/977186099.db2.gz WNVGILRPKYADPE-BFHYXJOUSA-N 2 0 285.407 1.124 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001392073952 977210521 /nfs/dbraw/zinc/21/05/21/977210521.db2.gz IQYUKYQRAVONKX-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CC1CC(F)(F)C1 ZINC001400868100 977230927 /nfs/dbraw/zinc/23/09/27/977230927.db2.gz XDELYJLKFYMLRE-GFCCVEGCSA-N 2 0 291.386 1.468 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)CC[C@H](C)F ZINC001403851643 977231449 /nfs/dbraw/zinc/23/14/49/977231449.db2.gz MXQLUDGDGQQUMK-ZFWWWQNUSA-N 2 0 299.434 1.514 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]C/C=C/Cl ZINC001400914396 977241801 /nfs/dbraw/zinc/24/18/01/977241801.db2.gz FCDYOQIXQARFEJ-SJCWFQRBSA-N 2 0 273.808 1.175 10 0 CDAERP Cc1oncc1C[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001382314686 977246989 /nfs/dbraw/zinc/24/69/89/977246989.db2.gz MSVCQIZYPLHPHK-SMDDNHRTSA-N 2 0 294.399 1.014 10 0 CDAERP CC(C)CC[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC001382374932 977267140 /nfs/dbraw/zinc/26/71/40/977267140.db2.gz FGQLXVPCGGKXFH-GJZGRUSLSA-N 2 0 295.471 1.811 10 0 CDAERP CC[C@H](F)C[N@H+](C)C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001392686824 977548978 /nfs/dbraw/zinc/54/89/78/977548978.db2.gz GZVXSSXQHOUNFN-KGLIPLIRSA-N 2 0 299.434 1.799 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001392836778 977620458 /nfs/dbraw/zinc/62/04/58/977620458.db2.gz MIRQSZYCQURRRV-CABCVRRESA-N 2 0 283.460 1.809 10 0 CDAERP C[C@@H](F)CC[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001392926708 977653207 /nfs/dbraw/zinc/65/32/07/977653207.db2.gz HBOLTJPGIAEKMJ-GFCCVEGCSA-N 2 0 285.407 1.315 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@@]2(CC[N@H+](CC3CCC3)C2)C1 ZINC001392991312 977668207 /nfs/dbraw/zinc/66/82/07/977668207.db2.gz LMPNVAHFHIYZAA-QGZVFWFLSA-N 2 0 293.455 1.663 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@](C)(C[NH2+]CC3CCC3)C2)C1 ZINC001393171522 977724925 /nfs/dbraw/zinc/72/49/25/977724925.db2.gz VKOAHTREYNGMMW-DOTOQJQBSA-N 2 0 293.455 1.566 10 0 CDAERP C[C@@H](CCNC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(F)cn1 ZINC001393815463 977926731 /nfs/dbraw/zinc/92/67/31/977926731.db2.gz OKROMUKIOKPYLM-LBPRGKRZSA-N 2 0 296.390 1.157 10 0 CDAERP CC(C)[NH+]1CC([C@@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001394231419 978112965 /nfs/dbraw/zinc/11/29/65/978112965.db2.gz VLRQJAFNVRUOML-HIFRSBDPSA-N 2 0 281.444 1.706 10 0 CDAERP CC[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3CC3)C[C@H]21)[NH+](C)C ZINC001394323191 978133814 /nfs/dbraw/zinc/13/38/14/978133814.db2.gz PNFFOJOFLDHXOO-XQLPTFJDSA-N 2 0 279.428 1.031 10 0 CDAERP CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccccn1)[NH+](C)C ZINC001394495168 978182897 /nfs/dbraw/zinc/18/28/97/978182897.db2.gz JUYXLTUGDCUFBE-DZGCQCFKSA-N 2 0 292.427 1.358 10 0 CDAERP CC(C)[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001570902628 1170314969 /nfs/dbraw/zinc/31/49/69/1170314969.db2.gz WJHBPXJVVNRVKP-LBPRGKRZSA-N 2 0 255.406 1.173 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]CCCF)C1 ZINC001571665982 1170515428 /nfs/dbraw/zinc/51/54/28/1170515428.db2.gz RPJDENHBAMQCAY-NRXISQOPSA-N 2 0 299.434 1.799 10 0 CDAERP C[C@@]1(CNCc2ccc(C[NH3+])cc2F)CC[NH2+]C1 ZINC000650717384 398158632 /nfs/dbraw/zinc/15/86/32/398158632.db2.gz YWMFQUZIESGEPW-CQSZACIVSA-N 2 0 251.349 1.374 10 0 CDAERP C[NH2+]Cc1ccccc1C[NH2+]Cc1ccc2c(c1)nnn2C ZINC000650719083 398159344 /nfs/dbraw/zinc/15/93/44/398159344.db2.gz CMSKSCXQIYPAGK-UHFFFAOYSA-N 2 0 295.390 1.978 10 0 CDAERP COCCOc1cccc(C[NH2+]CCC2(C[NH3+])CC2)c1 ZINC000650712683 398155451 /nfs/dbraw/zinc/15/54/51/398155451.db2.gz PEYFAKUMYLJIKE-UHFFFAOYSA-N 2 0 278.396 1.930 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCC2CC[NH2+]CC2)[C@H]2CCC[C@H]21 ZINC000650761994 398183446 /nfs/dbraw/zinc/18/34/46/398183446.db2.gz PKEXEBROLCLJDE-OWCLPIDISA-N 3 0 265.445 1.839 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](CC2(O)CCOCC2)CC1 ZINC000533322677 282109934 /nfs/dbraw/zinc/10/99/34/282109934.db2.gz TXFPVELPTXQBAB-UHFFFAOYSA-N 2 0 284.444 1.582 10 0 CDAERP CC(C)(C)OC(=O)NCC[N@@H+]1CCCC[C@H](CC[NH3+])C1 ZINC000616603699 361817467 /nfs/dbraw/zinc/81/74/67/361817467.db2.gz USTQRCWPRZLIMU-CYBMUJFWSA-N 2 0 285.432 1.962 10 0 CDAERP COC[C@H](C)C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000188000527 342173458 /nfs/dbraw/zinc/17/34/58/342173458.db2.gz RHHKTKWUJNQZNU-KGLIPLIRSA-N 2 0 270.417 1.359 10 0 CDAERP c1ccc(C[N@@H+]2CCO[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000096949600 185139266 /nfs/dbraw/zinc/13/92/66/185139266.db2.gz MKAJNZIPMZMORI-CVEARBPZSA-N 2 0 260.381 1.887 10 0 CDAERP C[NH2+]CCOCC[NH2+]C1CCN(c2ccccc2)CC1 ZINC000629392845 361909216 /nfs/dbraw/zinc/90/92/16/361909216.db2.gz UPRCGDSWZBRBFH-UHFFFAOYSA-N 2 0 277.412 1.481 10 0 CDAERP Cc1cn2c(n1)C[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)CC2 ZINC000625801435 342201023 /nfs/dbraw/zinc/20/10/23/342201023.db2.gz GMMICICPAGJIBW-MCIONIFRSA-N 2 0 290.411 1.353 10 0 CDAERP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000263140657 361924703 /nfs/dbraw/zinc/92/47/03/361924703.db2.gz CGUQFCYFZZYAIX-QAETUUGQSA-N 2 0 274.408 1.801 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000629405873 361943936 /nfs/dbraw/zinc/94/39/36/361943936.db2.gz WJPWRKYAWIRXHU-DOTOQJQBSA-N 2 0 291.439 1.475 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000629397989 361929777 /nfs/dbraw/zinc/92/97/77/361929777.db2.gz IPSYMLIGGACFKM-UHFFFAOYSA-N 2 0 275.352 1.395 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1ccc(Br)cn1 ZINC000629398361 361931611 /nfs/dbraw/zinc/93/16/11/361931611.db2.gz BUMRLPVETKWVCP-UHFFFAOYSA-N 2 0 288.189 1.299 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000594292748 342888257 /nfs/dbraw/zinc/88/82/57/342888257.db2.gz DUJHFBSRSOOJEH-CABCVRRESA-N 2 0 294.443 1.350 10 0 CDAERP C[C@@H]1C[C@@]2(C[NH+]=C(N)N2Cc2ccccc2)C[N@@H+]1C ZINC000127982027 342296117 /nfs/dbraw/zinc/29/61/17/342296117.db2.gz OYUCOVVVIPXYLP-IUODEOHRSA-N 2 0 258.369 1.280 10 0 CDAERP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H]2C[C@H]2C(=O)OC)C1 ZINC000594925585 342973512 /nfs/dbraw/zinc/97/35/12/342973512.db2.gz OKKJHGUWWUXAOL-FVCCEPFGSA-N 2 0 254.374 1.115 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000594936797 342977378 /nfs/dbraw/zinc/97/73/78/342977378.db2.gz DQIMYCJXUDGQRY-MGPQQGTHSA-N 2 0 282.428 1.896 10 0 CDAERP C[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1C)[NH+]1[C@H](C)CC[C@H]1C ZINC000629456941 362059447 /nfs/dbraw/zinc/05/94/47/362059447.db2.gz DTWWBLLDZXAAOT-SYQHCUMBSA-N 2 0 267.417 1.458 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NCC1([NH+](C)C)CCCC1 ZINC000078500809 342337888 /nfs/dbraw/zinc/33/78/88/342337888.db2.gz HMCLICASKPIPTO-CQSZACIVSA-N 2 0 298.475 1.890 10 0 CDAERP Cc1ncsc1C[N@@H+]1C[C@H](CO)C2(C1)CC[NH2+]CC2 ZINC000169789466 362141184 /nfs/dbraw/zinc/14/11/84/362141184.db2.gz XYBXUJUBIQPALB-GFCCVEGCSA-N 2 0 281.425 1.245 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CCCN1CC(F)F ZINC000629519379 362138857 /nfs/dbraw/zinc/13/88/57/362138857.db2.gz PXRJSGHTGSGXCM-NEPJUHHUSA-N 2 0 279.375 1.059 10 0 CDAERP CCO[C@@H](C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)C1CC1 ZINC000629533163 362170629 /nfs/dbraw/zinc/17/06/29/362170629.db2.gz KYWHRVFIKDHRNR-GJZGRUSLSA-N 2 0 282.428 1.489 10 0 CDAERP Cc1nocc1C[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000645155446 362183676 /nfs/dbraw/zinc/18/36/76/362183676.db2.gz YPLKILBLHIYDMY-AWEZNQCLSA-N 2 0 278.400 1.241 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000411913704 362294690 /nfs/dbraw/zinc/29/46/90/362294690.db2.gz SJUNOXIZECODRM-CABCVRRESA-N 2 0 281.444 1.804 10 0 CDAERP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@H](O)CC3CCCC3)C2)C1 ZINC000336813189 362295639 /nfs/dbraw/zinc/29/56/39/362295639.db2.gz BVNPOTFVUKOOHR-HZPDHXFCSA-N 2 0 266.429 1.955 10 0 CDAERP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000263250229 362394779 /nfs/dbraw/zinc/39/47/79/362394779.db2.gz PVHHQNUUXWMSCA-OSMZGAPFSA-N 2 0 268.788 1.441 10 0 CDAERP C[NH+](C)C[C@@H]1CCN(c2nc(N)[nH+]c3c2CCCC3)C1 ZINC000645209820 362407213 /nfs/dbraw/zinc/40/72/13/362407213.db2.gz VXBUXSGLMCMEGJ-NSHDSACASA-N 2 0 275.400 1.156 10 0 CDAERP CN1CC[NH2+]C[C@@H]1c1noc(CC2(C[NH3+])CCCCC2)n1 ZINC000263270637 362414505 /nfs/dbraw/zinc/41/45/05/362414505.db2.gz SCKYCFYFJMPEMW-GFCCVEGCSA-N 2 0 293.415 1.097 10 0 CDAERP C[NH+](C)CCN[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000083763214 178744188 /nfs/dbraw/zinc/74/41/88/178744188.db2.gz DRHXCISEDDUXNM-LBPRGKRZSA-N 2 0 286.217 1.600 10 0 CDAERP [NH3+]C1(CC(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)CCC1 ZINC000328654107 345434704 /nfs/dbraw/zinc/43/47/04/345434704.db2.gz XENGGESEGWCNAH-NSHDSACASA-N 2 0 251.374 1.001 10 0 CDAERP C[NH+]1[C@@H]2CCC[C@H]1CC(NC(=O)N[C@H]1CCC[N@@H+](C)C1)C2 ZINC000608647716 345805018 /nfs/dbraw/zinc/80/50/18/345805018.db2.gz ICBYHXPBPLWDKC-AVOUXACISA-N 2 0 294.443 1.395 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC000608648356 345805810 /nfs/dbraw/zinc/80/58/10/345805810.db2.gz SFIZABUOYBXOCO-CABCVRRESA-N 2 0 296.459 1.454 10 0 CDAERP CCN(C(=O)[C@@H]1C[C@H]1c1cncn1C)[C@H]1CC[N@H+](C)C1 ZINC000617550603 345841913 /nfs/dbraw/zinc/84/19/13/345841913.db2.gz YVWYBUOFKKHAMN-YNEHKIRRSA-N 2 0 276.384 1.076 10 0 CDAERP C[C@H](CCNC(=O)c1ccc(C[NH+](C)C)nc1)[NH+](C)C ZINC000617760379 345959448 /nfs/dbraw/zinc/95/94/48/345959448.db2.gz ZFXAXYYBWBBLQS-GFCCVEGCSA-N 2 0 278.400 1.213 10 0 CDAERP C[N@@H+]1CC[C@@H](NCCC[NH+]2CCCC2)CC1(C)C ZINC000623342844 346071081 /nfs/dbraw/zinc/07/10/81/346071081.db2.gz RDXGCSBHTQYLGV-CQSZACIVSA-N 2 0 253.434 1.935 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2ccccn2)CC1(C)C ZINC000623380171 346115783 /nfs/dbraw/zinc/11/57/83/346115783.db2.gz SLHBZDDJDLCJAO-CYBMUJFWSA-N 2 0 290.411 1.873 10 0 CDAERP C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)OC[C@H]1CCCO1 ZINC000152247989 346116080 /nfs/dbraw/zinc/11/60/80/346116080.db2.gz IRNWYTFQEUWXNP-QGZVFWFLSA-N 2 0 296.455 1.990 10 0 CDAERP C[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085371884 179041683 /nfs/dbraw/zinc/04/16/83/179041683.db2.gz MDZTVXOIGXZPEF-GJZGRUSLSA-N 2 0 275.396 1.492 10 0 CDAERP CC(C)OC[C@@H](C)[NH2+]C[C@@H]1CCCCN1CCO ZINC000449395901 362692020 /nfs/dbraw/zinc/69/20/20/362692020.db2.gz JYHWUFWWZPUVLK-KGLIPLIRSA-N 2 0 258.406 1.236 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+]CCN2CC[NH+](C)CC2)C1(C)C ZINC000085385324 179046728 /nfs/dbraw/zinc/04/67/28/179046728.db2.gz WMQBKNQSDYIBOH-UONOGXRCSA-N 2 0 269.433 1.027 10 0 CDAERP CNC(=O)[C@@H](C)[N@@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403727 179052942 /nfs/dbraw/zinc/05/29/42/179052942.db2.gz QWWJPFLKSBZAFT-TZMCWYRMSA-N 2 0 267.417 1.365 10 0 CDAERP CN1CC[C@H]([N@@H+]2CCCCC[C@@H]2C2CC[NH2+]CC2)C1=O ZINC000085403774 179053164 /nfs/dbraw/zinc/05/31/64/179053164.db2.gz AIYLPSQFKJWIOI-CABCVRRESA-N 2 0 279.428 1.461 10 0 CDAERP C[NH+]1CCN(CCC[NH2+][C@H]2[C@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000085630442 179108184 /nfs/dbraw/zinc/10/81/84/179108184.db2.gz QZHFZOYOYDBHFO-ILXRZTDVSA-N 2 0 281.444 1.027 10 0 CDAERP CN1CC[C@H]([NH2+]CC2CCS(=O)(=O)CC2)CC1(C)C ZINC000623473640 347408072 /nfs/dbraw/zinc/40/80/72/347408072.db2.gz CHXCHSWTMFAYJW-ZDUSSCGKSA-N 2 0 288.457 1.274 10 0 CDAERP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623478662 347418592 /nfs/dbraw/zinc/41/85/92/347418592.db2.gz TZUCHZSZDZNFBB-UPJWGTAASA-N 2 0 267.417 1.364 10 0 CDAERP CC[C@H](C)[NH+]1CCN([C@@](CC)(C[NH3+])C2CC2)CC1 ZINC000086120662 179234893 /nfs/dbraw/zinc/23/48/93/179234893.db2.gz XBVZNPMKIQVRCM-ZFWWWQNUSA-N 2 0 253.434 1.920 10 0 CDAERP CC[C@H](C)[C@H]1CN([C@@H]2C[NH+]3CCC2CC3)CC[NH2+]1 ZINC000086124861 179235305 /nfs/dbraw/zinc/23/53/05/179235305.db2.gz NZRBEKUQZVJOKT-NWANDNLSSA-N 2 0 251.418 1.401 10 0 CDAERP CC[C@@H](C)[C@@H]1CN([C@@H]2C[NH+]3CCC2CC3)CC[NH2+]1 ZINC000086124852 179235542 /nfs/dbraw/zinc/23/55/42/179235542.db2.gz NZRBEKUQZVJOKT-VHDGCEQUSA-N 2 0 251.418 1.401 10 0 CDAERP C[N@@H+]1CC[C@H](CN2CC[NH2+]C3(CCCCC3)C2)C1 ZINC000086141883 179236431 /nfs/dbraw/zinc/23/64/31/179236431.db2.gz QDLCGPHVBDBCMU-AWEZNQCLSA-N 2 0 251.418 1.546 10 0 CDAERP CC[N@@H+]1CCC[C@@H](N2CC[NH2+]C(CC)(CC)C2)C1 ZINC000086143119 179237266 /nfs/dbraw/zinc/23/72/66/179237266.db2.gz HWWYDKRZZACWDK-CQSZACIVSA-N 2 0 253.434 1.935 10 0 CDAERP CCC1(CC)C[N@H+](CC2CC[NH+](C)CC2)CCN1 ZINC000086145667 179237502 /nfs/dbraw/zinc/23/75/02/179237502.db2.gz NYEUQUBTCPFXNS-UHFFFAOYSA-N 2 0 253.434 1.792 10 0 CDAERP C[N@@H+]1CCC[C@H](N2CC[NH2+][C@H](C3CCCCC3)C2)C1 ZINC000086142274 179237756 /nfs/dbraw/zinc/23/77/56/179237756.db2.gz YOEGFXWXOODRGU-HOTGVXAUSA-N 2 0 265.445 1.935 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CCc2cn3c(n2)SCC3)CC1(C)C ZINC000623494119 347603870 /nfs/dbraw/zinc/60/38/70/347603870.db2.gz CFUAETUKSUSVDY-GFCCVEGCSA-N 2 0 294.468 1.994 10 0 CDAERP CC[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)[C@@H](CC)CN1 ZINC000086259093 179256893 /nfs/dbraw/zinc/25/68/93/179256893.db2.gz FNPWNONDEVRMSL-CABCVRRESA-N 2 0 253.434 1.791 10 0 CDAERP Cn1cncc1CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623576403 347641370 /nfs/dbraw/zinc/64/13/70/347641370.db2.gz VOLMROHEMLBLPE-LBPRGKRZSA-N 2 0 250.390 1.425 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC000615603352 348609143 /nfs/dbraw/zinc/60/91/43/348609143.db2.gz ONKZWWJJDLRULE-HOCLYGCPSA-N 2 0 279.428 1.273 10 0 CDAERP O=C([C@@H]1C[NH2+]Cc2ccccc21)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000087617895 349248716 /nfs/dbraw/zinc/24/87/16/349248716.db2.gz HMZLXJCKTRQYKG-GDBMZVCRSA-N 2 0 285.391 1.180 10 0 CDAERP C(C[NH+]1CCCC1)N1CCCC[C@H]1C[NH2+]C1CC1 ZINC000104422983 185996887 /nfs/dbraw/zinc/99/68/87/185996887.db2.gz MPXUYYQXWZOFTF-HNNXBMFYSA-N 2 0 251.418 1.689 10 0 CDAERP COC[C@@H]([NH2+]CCOCCC[NH3+])c1cccc(Cl)c1 ZINC000629536947 362950608 /nfs/dbraw/zinc/95/06/08/362950608.db2.gz HQUUYDGBYNCORZ-CQSZACIVSA-N 2 0 286.803 1.983 10 0 CDAERP Cn1c2cc(C[NH2+][C@@H]3CCC[C@@H]([NH3+])C3)ccc2oc1=O ZINC000629538647 362955243 /nfs/dbraw/zinc/95/52/43/362955243.db2.gz NVZGNGUCNKMQSB-VXGBXAGGSA-N 2 0 275.352 1.491 10 0 CDAERP Cn1c2cc(C[NH2+][C@@H]3CCCC[C@@H]3C[NH3+])ccc2oc1=O ZINC000629547489 362974737 /nfs/dbraw/zinc/97/47/37/362974737.db2.gz KMONKGMWTZMIMP-CHWSQXEVSA-N 2 0 289.379 1.739 10 0 CDAERP CC[C@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000629549998 362983387 /nfs/dbraw/zinc/98/33/87/362983387.db2.gz VEKFTHVEKLPJEF-KBPBESRZSA-N 2 0 281.444 1.755 10 0 CDAERP C[N@@H+]1Cc2ccc(NC[C@@H](O)C[NH+]3CCCC3)cc2C1 ZINC000629583006 363047960 /nfs/dbraw/zinc/04/79/60/363047960.db2.gz ZOQWARXZTQAPCB-MRXNPFEDSA-N 2 0 275.396 1.501 10 0 CDAERP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333678736 363094900 /nfs/dbraw/zinc/09/49/00/363094900.db2.gz OKNQIMCGEMDUCK-YNEHKIRRSA-N 2 0 268.405 1.040 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)CC1CC1)c1ccccc1 ZINC000157677748 188331805 /nfs/dbraw/zinc/33/18/05/188331805.db2.gz PDEQVVUHFLTAOW-MRXNPFEDSA-N 2 0 289.423 1.747 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)CC1CC1)c1ccccc1 ZINC000157677599 188331927 /nfs/dbraw/zinc/33/19/27/188331927.db2.gz PDEQVVUHFLTAOW-INIZCTEOSA-N 2 0 289.423 1.747 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000333947572 363254150 /nfs/dbraw/zinc/25/41/50/363254150.db2.gz VRAZHRPKRMQEJD-ZIAGYGMSSA-N 2 0 282.432 1.160 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CC[C@@H](O)C(F)(F)F)CC1(C)C ZINC000628278928 363366480 /nfs/dbraw/zinc/36/64/80/363366480.db2.gz MTCYTSGVJKXUAS-NXEZZACHSA-N 2 0 268.323 1.762 10 0 CDAERP C[C@H]1C[C@@H](N(C)C(=O)[C@H]2CCCC[NH2+]2)CC[N@@H+]1C ZINC000262661898 291059522 /nfs/dbraw/zinc/05/95/22/291059522.db2.gz GLOAGJCUJXZTHD-RWMBFGLXSA-N 2 0 253.390 1.070 10 0 CDAERP C[C@H]1C[C@@H](NC(=O)c2ccc(C[NH3+])cc2)CC[N@@H+]1C ZINC000149285342 291079043 /nfs/dbraw/zinc/07/90/43/291079043.db2.gz IEKXDXWWNSVCCJ-FZMZJTMJSA-N 2 0 261.369 1.358 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)C1 ZINC000569473793 358501145 /nfs/dbraw/zinc/50/11/45/358501145.db2.gz WERBULAFQPKQAH-ILXRZTDVSA-N 2 0 279.428 1.413 10 0 CDAERP CC[NH+]1CCC(C[NH2+]C[C@@H](O)C[C@](C)(O)C2CC2)CC1 ZINC000634700528 357370784 /nfs/dbraw/zinc/37/07/84/357370784.db2.gz BBOQJQQKTXIFTR-HOTGVXAUSA-N 2 0 284.444 1.220 10 0 CDAERP COC[C@H](C)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000189658264 357588271 /nfs/dbraw/zinc/58/82/71/357588271.db2.gz XLIMYBGHOFNWLA-CQSZACIVSA-N 2 0 270.417 1.313 10 0 CDAERP COCC[C@H](COC)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000310782940 358025459 /nfs/dbraw/zinc/02/54/59/358025459.db2.gz BZEMVDNDOSEZSM-CQSZACIVSA-N 2 0 258.406 1.500 10 0 CDAERP Cc1ccccc1[C@@H]([NH3+])C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634744315 358193400 /nfs/dbraw/zinc/19/34/00/358193400.db2.gz UVMLVQGMZZOVQI-OIISXLGYSA-N 2 0 287.407 1.453 10 0 CDAERP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000636142293 363612877 /nfs/dbraw/zinc/61/28/77/363612877.db2.gz HVQFIYAHRSNGNP-BHPKHCPMSA-N 2 0 288.395 1.646 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]([NH+](C)C)CC2)CC[NH2+]1 ZINC000564940718 358642790 /nfs/dbraw/zinc/64/27/90/358642790.db2.gz UHLVLVCSBBFVHM-IHRRRGAJSA-N 2 0 267.417 1.317 10 0 CDAERP COC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)C(C)C ZINC000151320406 358802029 /nfs/dbraw/zinc/80/20/29/358802029.db2.gz VCZLZHDEOOHZDB-KGLIPLIRSA-N 2 0 258.406 1.094 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000644841538 358984072 /nfs/dbraw/zinc/98/40/72/358984072.db2.gz QKMYXVURHBZKGP-WMLDXEAASA-N 2 0 297.406 1.712 10 0 CDAERP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)CC1 ZINC000261988774 359115907 /nfs/dbraw/zinc/11/59/07/359115907.db2.gz SNAWRAJGXXGOPH-BZUAXINKSA-N 3 0 281.444 1.075 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000262902860 359197909 /nfs/dbraw/zinc/19/79/09/359197909.db2.gz DTGMCTONEMFKNF-IJEWVQPXSA-N 2 0 281.444 1.885 10 0 CDAERP C[C@H]([NH2+]CCCC[NH+](C)C)C1CCS(=O)(=O)CC1 ZINC000354210607 299288389 /nfs/dbraw/zinc/28/83/89/299288389.db2.gz LBZQVTLGCQXYKN-LBPRGKRZSA-N 2 0 276.446 1.131 10 0 CDAERP CC[NH+](CC)CCNC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000119886829 359310967 /nfs/dbraw/zinc/31/09/67/359310967.db2.gz QDTLTOJYWBWTCX-OAHLLOKOSA-N 2 0 298.475 1.748 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)CC1CC[NH+](C)CC1 ZINC000347517043 359408573 /nfs/dbraw/zinc/40/85/73/359408573.db2.gz ICBHMIHIJZYASY-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCOC[C@@H]2CCCO2)[C@H]2CCC[C@@H]21 ZINC000572468954 359566751 /nfs/dbraw/zinc/56/67/51/359566751.db2.gz YNEBFRCHJRIGDH-FZKCQIBNSA-N 2 0 282.428 1.644 10 0 CDAERP CC(C)Cn1ccnc1CNC(=O)NCCn1ccnc1 ZINC000080564246 359625709 /nfs/dbraw/zinc/62/57/09/359625709.db2.gz ULBRPQMUDDOUKS-UHFFFAOYSA-N 2 0 290.371 1.235 10 0 CDAERP C[C@H](CCN[C@H]1CC[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000379650437 359636893 /nfs/dbraw/zinc/63/68/93/359636893.db2.gz RWVMHXHMPSGRPA-ZBFHGGJFSA-N 2 0 261.413 1.849 10 0 CDAERP Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000422812774 359659357 /nfs/dbraw/zinc/65/93/57/359659357.db2.gz WXLIFRQMXIYUNG-DZGCQCFKSA-N 2 0 264.417 1.687 10 0 CDAERP O=C1CCCN1CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422770231 359656933 /nfs/dbraw/zinc/65/69/33/359656933.db2.gz PXHYWBCGNGOJMQ-ARFHVFGLSA-N 2 0 293.455 1.899 10 0 CDAERP CCC(CC)[C@H](CN[C@H](C1CC1)[C@H]1C[NH2+]CCO1)[NH+](C)C ZINC000422961976 359721531 /nfs/dbraw/zinc/72/15/31/359721531.db2.gz DQHXUEUWMNDROK-GVDBMIGSSA-N 2 0 297.487 1.709 10 0 CDAERP [NH3+]CC1CCC([NH2+]C[C@H](CO)c2ccccc2)CC1 ZINC000423003269 359747105 /nfs/dbraw/zinc/74/71/05/359747105.db2.gz HEPSQUZNUNPYAO-OGVSOVDVSA-N 2 0 262.397 1.870 10 0 CDAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000262236175 359791784 /nfs/dbraw/zinc/79/17/84/359791784.db2.gz AMJYVDYIUHZYDR-YJNKXOJESA-N 2 0 279.428 1.589 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000094445024 359820530 /nfs/dbraw/zinc/82/05/30/359820530.db2.gz ZNFMZMKXANDOTJ-APIJFGDWSA-N 2 0 279.428 1.589 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)CC2(O)CCC2)C1 ZINC000528400710 359934512 /nfs/dbraw/zinc/93/45/12/359934512.db2.gz QNDHHLZHKZDHCC-LSDHHAIUSA-N 2 0 284.444 1.316 10 0 CDAERP C[C@@H]([NH2+][C@@H]1CC[C@H]1O)c1ccc(OCC[NH+](C)C)cc1 ZINC000424310617 360002891 /nfs/dbraw/zinc/00/28/91/360002891.db2.gz CQWWIRRXPPOUSY-DAXOMENPSA-N 2 0 278.396 1.801 10 0 CDAERP [NH3+]CCC1CCN(C(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000566407026 360094196 /nfs/dbraw/zinc/09/41/96/360094196.db2.gz OGFFEGDXACBHPY-UHFFFAOYSA-N 2 0 261.369 1.346 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000337410137 360101823 /nfs/dbraw/zinc/10/18/23/360101823.db2.gz WJUZZDZTYVQPIK-QKPAOTATSA-N 2 0 265.445 1.791 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424461962 360062967 /nfs/dbraw/zinc/06/29/67/360062967.db2.gz LOLGAZAVNKMCJS-LXTVHRRPSA-N 2 0 296.459 1.818 10 0 CDAERP C[NH2+]C1CCN(C(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000335424547 360254295 /nfs/dbraw/zinc/25/42/95/360254295.db2.gz SDQQRQWJNIKQPI-OAHLLOKOSA-N 2 0 273.380 1.084 10 0 CDAERP CCNC(=O)N1CC[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)C1 ZINC000090411709 360212925 /nfs/dbraw/zinc/21/29/25/360212925.db2.gz JYRLAZGRXVQLQO-XDQVBPFNSA-N 2 0 282.432 1.109 10 0 CDAERP Cc1cc(C[C@@H](C)[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)[nH]n1 ZINC000090533091 360217096 /nfs/dbraw/zinc/21/70/96/360217096.db2.gz UOOFNIJGGGTIDS-WJNVRWDZSA-N 2 0 264.417 1.967 10 0 CDAERP CC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)COC1 ZINC000094722009 360318051 /nfs/dbraw/zinc/31/80/51/360318051.db2.gz RTUJVQTVEHGCCA-MELADBBJSA-N 2 0 252.402 1.923 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC000154554455 360366409 /nfs/dbraw/zinc/36/64/09/360366409.db2.gz UIEDJTSIIBGESY-IKGGRYGDSA-N 2 0 297.487 1.807 10 0 CDAERP Cc1cc(C)n2c(C[NH2+][C@@H](C)[C@H]3CCC[NH2+]C3)cnc2n1 ZINC000514782037 360375456 /nfs/dbraw/zinc/37/54/56/360375456.db2.gz JZHSSJSXODMNIF-KBPBESRZSA-N 2 0 287.411 1.824 10 0 CDAERP CC[NH+](CC)CCCNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000626918719 360632973 /nfs/dbraw/zinc/63/29/73/360632973.db2.gz JELRDHLNBLAGPN-ZDUSSCGKSA-N 2 0 282.432 1.302 10 0 CDAERP CC[N@H+](CC(=O)NC[C@@H]1CC[NH+]1C1CCCCC1)C1CC1 ZINC000628545621 360731691 /nfs/dbraw/zinc/73/16/91/360731691.db2.gz WCMAHJNBLRAYDV-INIZCTEOSA-N 2 0 293.455 1.994 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000626952522 360697528 /nfs/dbraw/zinc/69/75/28/360697528.db2.gz RTFVNALZJGSUSJ-OLZOCXBDSA-N 2 0 282.432 1.301 10 0 CDAERP CC(C)[NH2+]CCC(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000566610369 360709540 /nfs/dbraw/zinc/70/95/40/360709540.db2.gz KPHCYLLEERBOKF-KBPBESRZSA-N 2 0 267.417 1.365 10 0 CDAERP O=C([C@H]1C[C@H](F)C[NH2+]1)N1CCN(Cc2cccs2)CC1 ZINC000335685811 360767081 /nfs/dbraw/zinc/76/70/81/360767081.db2.gz LIWGPAVKAXGIJI-WCQYABFASA-N 2 0 297.399 1.092 10 0 CDAERP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1N(C)C(=O)C[NH3+] ZINC000178869186 189151376 /nfs/dbraw/zinc/15/13/76/189151376.db2.gz KSKNTUNZHZXNAM-ZIAGYGMSSA-N 2 0 289.423 1.560 10 0 CDAERP CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000335709538 360823780 /nfs/dbraw/zinc/82/37/80/360823780.db2.gz VRASRQQMSHDVMJ-AWEZNQCLSA-N 2 0 265.401 1.023 10 0 CDAERP CN(CCC[NH+](C)C)CCN1C(=O)c2ccccc2C1=O ZINC000338358585 360863246 /nfs/dbraw/zinc/86/32/46/360863246.db2.gz ZUAPUWUNQBXNEV-UHFFFAOYSA-N 2 0 289.379 1.166 10 0 CDAERP Cc1nc(CN(C)CC[N@H+](C)C2CCN(C)CC2)oc1C ZINC000177374250 238294737 /nfs/dbraw/zinc/29/47/37/238294737.db2.gz IDUHPYKPNVMDMX-UHFFFAOYSA-N 2 0 294.443 1.749 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)NCC[NH+]1CC=CCC1 ZINC000350081496 360980261 /nfs/dbraw/zinc/98/02/61/360980261.db2.gz YOTDQIZJXOFOSR-OAHLLOKOSA-N 2 0 279.428 1.629 10 0 CDAERP Cc1nn(C)c(C)c1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339076053 361268006 /nfs/dbraw/zinc/26/80/06/361268006.db2.gz RLTJHPAKPHRROU-GJZGRUSLSA-N 2 0 276.428 1.796 10 0 CDAERP Cn1ncc(Br)c1C[NH2+]CCCC[NH+](C)C ZINC000278290259 366815369 /nfs/dbraw/zinc/81/53/69/366815369.db2.gz BFWSPIWXBKWIER-UHFFFAOYSA-N 2 0 289.221 1.614 10 0 CDAERP C[C@H](C[NH3+])N(C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000417941923 361433131 /nfs/dbraw/zinc/43/31/31/361433131.db2.gz NICQXVKSENVKRN-VHDGCEQUSA-N 2 0 290.411 1.420 10 0 CDAERP COc1ncc(CN2CC[C@]3(C2)CCC[N@H+](C)C3)c(C)n1 ZINC000339436845 361504874 /nfs/dbraw/zinc/50/48/74/361504874.db2.gz IIFHKROCENMGRE-MRXNPFEDSA-N 2 0 290.411 1.711 10 0 CDAERP C[C@H](O)[C@@H](NC[C@H](O)C[N@H+](C)C1CC1)c1ccccc1F ZINC000520583159 361544825 /nfs/dbraw/zinc/54/48/25/361544825.db2.gz JCRYSBBQZCFVJJ-DETPVDSQSA-N 2 0 296.386 1.292 10 0 CDAERP CN(C)c1cc[nH+]cc1C(=O)NCCCC[N@H+](C)C1CC1 ZINC000457164225 363935136 /nfs/dbraw/zinc/93/51/36/363935136.db2.gz IGIQZTDBTUZVEB-UHFFFAOYSA-N 2 0 290.411 1.752 10 0 CDAERP COCCOc1cccc(C[NH2+]C[C@@H]2CCCN2C)c1 ZINC000237189812 364234343 /nfs/dbraw/zinc/23/43/43/364234343.db2.gz JMQMFPHGJUABKK-HNNXBMFYSA-N 2 0 278.396 1.896 10 0 CDAERP C[NH2+]C[C@@H](C)C(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000373040353 364564915 /nfs/dbraw/zinc/56/49/15/364564915.db2.gz RAURJIRAFYYNOE-KGLIPLIRSA-N 2 0 267.417 1.319 10 0 CDAERP CCc1nccn1[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC000164345174 364806428 /nfs/dbraw/zinc/80/64/28/364806428.db2.gz ZWNVSWZUIPYKDD-ZIAGYGMSSA-N 2 0 292.427 1.949 10 0 CDAERP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@H](C)COC)CC1 ZINC000187856859 364842144 /nfs/dbraw/zinc/84/21/44/364842144.db2.gz CFLXUQARZJPTBW-GJZGRUSLSA-N 2 0 271.449 1.132 10 0 CDAERP CC(C)(CC[NH3+])NC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000643428688 364869053 /nfs/dbraw/zinc/86/90/53/364869053.db2.gz PVPFTZFDJBEVOG-UHFFFAOYSA-N 2 0 288.355 1.516 10 0 CDAERP C[C@H](CNC(=O)CC[C@H]1CCCC[N@@H+]1C)[NH+](C)C1CC1 ZINC000353157585 365033194 /nfs/dbraw/zinc/03/31/94/365033194.db2.gz LIQLTEIURFRNRH-ZIAGYGMSSA-N 2 0 281.444 1.850 10 0 CDAERP CC[C@H](Cn1cncn1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000353413477 365190733 /nfs/dbraw/zinc/19/07/33/365190733.db2.gz PSBTXJQQBBDOLK-MCIONIFRSA-N 2 0 263.389 1.273 10 0 CDAERP Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H]3CCC[C@H]31)CC2 ZINC000353497943 365257225 /nfs/dbraw/zinc/25/72/25/365257225.db2.gz QPPWIFRSACRSKI-LXTVHRRPSA-N 2 0 289.427 1.364 10 0 CDAERP Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H]3CCC[C@@H]31)CC2 ZINC000353497942 365257346 /nfs/dbraw/zinc/25/73/46/365257346.db2.gz QPPWIFRSACRSKI-KBUPBQIOSA-N 2 0 289.427 1.364 10 0 CDAERP C[C@@H](NC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)[C@H](C)[NH3+] ZINC000417538975 296080281 /nfs/dbraw/zinc/08/02/81/296080281.db2.gz VBNPDKCNHWPNKY-QNWHQSFQSA-N 2 0 270.421 1.284 10 0 CDAERP CCSCCNc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000273728650 365520682 /nfs/dbraw/zinc/52/06/82/365520682.db2.gz MPAATPAGLFHTJK-UHFFFAOYSA-N 2 0 280.441 1.998 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000414698652 241335472 /nfs/dbraw/zinc/33/54/72/241335472.db2.gz XPJDYXRVUQRFIL-VVLHAWIVSA-N 2 0 297.487 1.933 10 0 CDAERP CC(C)C[C@H]([NH3+])CNC[C@@H]1[NH2+]CCc2ccccc21 ZINC000414943132 370838808 /nfs/dbraw/zinc/83/88/08/370838808.db2.gz CPIFUKNJJUEQED-HOCLYGCPSA-N 2 0 261.413 1.836 10 0 CDAERP C[C@@H](C[C@H]1COCCN1)[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000516921262 367211858 /nfs/dbraw/zinc/21/18/58/367211858.db2.gz YIYZBZWEDZHEIR-STQMWFEESA-N 2 0 292.427 1.156 10 0 CDAERP C[C@@H](NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)C(C)(C)C[NH+](C)C ZINC000626996857 367217783 /nfs/dbraw/zinc/21/77/83/367217783.db2.gz HAFASMNBBMRZPR-UPJWGTAASA-N 2 0 284.448 1.402 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000627093517 367428008 /nfs/dbraw/zinc/42/80/08/367428008.db2.gz MBEJACXDHQTUNM-CFVMTHIKSA-N 2 0 290.411 1.516 10 0 CDAERP CC(C)[NH+](CCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)C(C)C ZINC000416804409 242148053 /nfs/dbraw/zinc/14/80/53/242148053.db2.gz JYBGRFNKRKMAJE-UONOGXRCSA-N 2 0 284.448 1.402 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1[NH2+]CCCC1(C)C)C1CCCC1 ZINC000234276853 367608253 /nfs/dbraw/zinc/60/82/53/367608253.db2.gz QWRLDBIJDODIDI-AWEZNQCLSA-N 2 0 281.444 1.755 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)NCCC[NH3+])c1cccc(F)c1 ZINC000416858758 242190941 /nfs/dbraw/zinc/19/09/41/242190941.db2.gz ZEEYWVXXSMTRAV-CYBMUJFWSA-N 2 0 282.363 1.076 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417011099 242267047 /nfs/dbraw/zinc/26/70/47/242267047.db2.gz QZWMTHIESFJFGY-KFWWJZLASA-N 2 0 296.459 1.358 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC[NH2+]1 ZINC000235718427 367645986 /nfs/dbraw/zinc/64/59/86/367645986.db2.gz GGIRGZJDXCMMAY-ZQDZILKHSA-N 2 0 279.428 1.317 10 0 CDAERP C[C@@H]1CN(C)C[C@H]1[NH2+]C1CCN(c2nccs2)CC1 ZINC000358400199 367658496 /nfs/dbraw/zinc/65/84/96/367658496.db2.gz LKLBUJZJXUHXAW-DGCLKSJQSA-N 2 0 280.441 1.652 10 0 CDAERP c1ncn(-c2ccc(C[NH2+]CC[C@@H]3CCC[NH2+]C3)cc2)n1 ZINC000414853201 367661412 /nfs/dbraw/zinc/66/14/12/367661412.db2.gz RGNGUQZDZYKKJB-AWEZNQCLSA-N 2 0 285.395 1.747 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)NCCCC[NH3+])CC1 ZINC000417386397 242447810 /nfs/dbraw/zinc/44/78/10/242447810.db2.gz FRPAWBCOYBNZLL-UHFFFAOYSA-N 2 0 270.421 1.147 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)[C@@H](C)C1 ZINC000627200982 367693315 /nfs/dbraw/zinc/69/33/15/367693315.db2.gz DQYIULLXSKRNMA-XQLPTFJDSA-N 2 0 296.459 1.499 10 0 CDAERP CC(C)[NH+]1CCC([N@H+](C)C[C@@H](O)CC2(O)CCC2)CC1 ZINC000528366647 367752555 /nfs/dbraw/zinc/75/25/55/367752555.db2.gz HZXHCCQOIYAEIJ-HNNXBMFYSA-N 2 0 284.444 1.457 10 0 CDAERP COC(=O)c1cc(CNCC2([NH3+])CCCCCC2)c[nH]1 ZINC000414859339 367772665 /nfs/dbraw/zinc/77/26/65/367772665.db2.gz MLKRSVRJUPWHRW-UHFFFAOYSA-N 2 0 279.384 1.943 10 0 CDAERP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000417554504 242529616 /nfs/dbraw/zinc/52/96/16/242529616.db2.gz JTEMJDWHJBMNRK-MELADBBJSA-N 2 0 284.448 1.676 10 0 CDAERP C[N@H+](CCNC(=O)C1=CC[C@H]([NH3+])C1)Cc1ccccc1 ZINC000638080782 368140967 /nfs/dbraw/zinc/14/09/67/368140967.db2.gz QSCFJMVNDWZGLI-HNNXBMFYSA-N 2 0 273.380 1.282 10 0 CDAERP C[NH2+]C[C@H](C)CNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000418388760 243018019 /nfs/dbraw/zinc/01/80/19/243018019.db2.gz NPTTVQFWMMCHAM-NWDGAFQWSA-N 2 0 278.400 1.361 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[NH2+][C@H](C)[C@H]2C)cc1 ZINC000418466820 243112848 /nfs/dbraw/zinc/11/28/48/243112848.db2.gz RVYLMJUWPWTVDH-YNEHKIRRSA-N 2 0 290.411 1.598 10 0 CDAERP CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000418590083 243246490 /nfs/dbraw/zinc/24/64/90/243246490.db2.gz JHTTWCKBXVQTCH-UONOGXRCSA-N 2 0 284.448 1.358 10 0 CDAERP C[C@H](CC(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1)C1CC[NH2+]CC1 ZINC000571207364 294389038 /nfs/dbraw/zinc/38/90/38/294389038.db2.gz ZBFSATKIUWJPKN-XJKCOSOUSA-N 2 0 281.444 1.456 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000418729277 243382559 /nfs/dbraw/zinc/38/25/59/243382559.db2.gz QWRXRPCLRWVYND-STQMWFEESA-N 2 0 284.448 1.486 10 0 CDAERP CCc1cccc(F)c1C[NH2+]CCN1CC[NH2+]CC1 ZINC000414880154 368656583 /nfs/dbraw/zinc/65/65/83/368656583.db2.gz JOJJFOCVGSNFBG-UHFFFAOYSA-N 2 0 265.376 1.383 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000367517482 369173845 /nfs/dbraw/zinc/17/38/45/369173845.db2.gz BKXKSBLCJIHHJZ-KKUMJFAQSA-N 2 0 252.402 1.875 10 0 CDAERP CC1(C)CC(NC(=O)NCCC2(C[NH3+])CC2)CC(C)(C)[NH2+]1 ZINC000652117772 412776102 /nfs/dbraw/zinc/77/61/02/412776102.db2.gz WSIRFEQWJNJECD-UHFFFAOYSA-N 2 0 296.459 1.724 10 0 CDAERP C[NH+]1CCC(CC(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000368177428 369384094 /nfs/dbraw/zinc/38/40/94/369384094.db2.gz GNWORGIMUNFNSO-UHFFFAOYSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000414949582 370968594 /nfs/dbraw/zinc/96/85/94/370968594.db2.gz FANNFSMGAPZTCI-WFASDCNBSA-N 2 0 271.368 1.355 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]([NH2+]CCCF)C1 ZINC001661435358 1172390733 /nfs/dbraw/zinc/39/07/33/1172390733.db2.gz OSZGEPHRTCDJHG-MGPQQGTHSA-N 2 0 285.407 1.457 10 0 CDAERP C[C@@]1(C(=O)N2CCN3CCCC[C@@H]3C2)CCCC[NH2+]1 ZINC000136206187 369809642 /nfs/dbraw/zinc/80/96/42/369809642.db2.gz LFWIWIBOZRBOOK-HIFRSBDPSA-N 2 0 265.401 1.215 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)CC[N@@H+]1C ZINC000630748232 369964717 /nfs/dbraw/zinc/96/47/17/369964717.db2.gz CXBYHDUXQMDMNW-XQLPTFJDSA-N 2 0 279.428 1.460 10 0 CDAERP O=C(C[C@@H]1CCC[NH2+]1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371232383 370219077 /nfs/dbraw/zinc/21/90/77/370219077.db2.gz RXTUUYPMEOMNIY-IHRRRGAJSA-N 2 0 265.401 1.119 10 0 CDAERP CSCC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371292864 370242551 /nfs/dbraw/zinc/24/25/51/370242551.db2.gz DQRLNTHXGXLRGE-FRRDWIJNSA-N 2 0 258.431 1.533 10 0 CDAERP C[C@H]([NH3+])[C@H]1CCCN(Cc2nnc(C3CCC3)n2C)C1 ZINC000564988804 370318382 /nfs/dbraw/zinc/31/83/82/370318382.db2.gz KCMUGHBUEZQEJG-AAEUAGOBSA-N 2 0 277.416 1.642 10 0 CDAERP c1nc2n(n1)CCC[C@H]2[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000291379264 370272608 /nfs/dbraw/zinc/27/26/08/370272608.db2.gz AUPBGYWVNDPKNP-OAHLLOKOSA-N 2 0 298.394 1.767 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC000565179119 370373477 /nfs/dbraw/zinc/37/34/77/370373477.db2.gz DTXXGYGKYBSICA-HNNXBMFYSA-N 2 0 293.455 1.805 10 0 CDAERP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000414935913 370602103 /nfs/dbraw/zinc/60/21/03/370602103.db2.gz BCFAQGDPKIEISP-DZGCQCFKSA-N 2 0 274.412 1.769 10 0 CDAERP CC[C@H]1CCCCN1CC[NH2+][C@@H](CCC[NH3+])COC ZINC000422738609 245196826 /nfs/dbraw/zinc/19/68/26/245196826.db2.gz YZYHMDSEGAKULW-GJZGRUSLSA-N 2 0 271.449 1.594 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000567505138 371014391 /nfs/dbraw/zinc/01/43/91/371014391.db2.gz NMODTXJSDZDHAV-BZPMIXESSA-N 2 0 253.390 1.118 10 0 CDAERP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cnccc1N ZINC000422870973 245357040 /nfs/dbraw/zinc/35/70/40/245357040.db2.gz YDYWOLAZNIJPJN-OLZOCXBDSA-N 2 0 280.416 1.502 10 0 CDAERP C[C@H](CCO)CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000453231080 371997350 /nfs/dbraw/zinc/99/73/50/371997350.db2.gz IJHKFOXZPMQTOW-XQLPTFJDSA-N 2 0 254.418 1.857 10 0 CDAERP C[NH+](C)CCCN(CCC[NH+](C)C)CC1(F)CC1 ZINC000578579343 372506014 /nfs/dbraw/zinc/50/60/14/372506014.db2.gz UEHRFBBPZRORSO-UHFFFAOYSA-N 2 0 259.413 1.694 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000361730195 372633792 /nfs/dbraw/zinc/63/37/92/372633792.db2.gz WWMUKNYZHWOLMU-AWEZNQCLSA-N 2 0 267.417 1.463 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000423028549 245507375 /nfs/dbraw/zinc/50/73/75/245507375.db2.gz GRIVDBAURZSOKD-GJZGRUSLSA-N 3 0 271.449 1.594 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000581106761 372829211 /nfs/dbraw/zinc/82/92/11/372829211.db2.gz QRYHSGTUDBVZIY-UHFFFAOYSA-N 2 0 298.475 1.702 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000630899804 373077283 /nfs/dbraw/zinc/07/72/83/373077283.db2.gz QGLLJXYDQPBSNA-QLFBSQMISA-N 2 0 279.428 1.413 10 0 CDAERP Cc1nc2ccccc2n1CC[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400434945 373261997 /nfs/dbraw/zinc/26/19/97/373261997.db2.gz MKJAUXHPSSQKQH-JSGCOSHPSA-N 2 0 272.396 1.932 10 0 CDAERP C[C@@H]([NH2+]C1CCC(C(N)=O)CC1)[C@H]1CCCC[NH2+]1 ZINC000386460487 373391280 /nfs/dbraw/zinc/39/12/80/373391280.db2.gz PDJZGHRNASNEPZ-IKWCTNDRSA-N 2 0 253.390 1.151 10 0 CDAERP CC[N@H+](CC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C)C1CC1 ZINC000343574971 284398861 /nfs/dbraw/zinc/39/88/61/284398861.db2.gz HDZKBSRRPBIKBX-ZIAGYGMSSA-N 2 0 281.444 1.850 10 0 CDAERP COc1ccc([C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H]2CCC[NH2+]2)cc1 ZINC000423449582 245827837 /nfs/dbraw/zinc/82/78/37/245827837.db2.gz GHTURMGUQBCHNX-JJTUDDRGSA-N 2 0 287.407 1.296 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NC[C@H]1CCC[NH+]1C ZINC000341470557 373738907 /nfs/dbraw/zinc/73/89/07/373738907.db2.gz YJESVLDDRAMKRY-QLFBSQMISA-N 2 0 296.459 1.643 10 0 CDAERP C[C@@H]1CN(CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)C[C@@H]1C[NH3+] ZINC000631843850 373897976 /nfs/dbraw/zinc/89/79/76/373897976.db2.gz SJGUDNCNKLIHHK-AIEDFZFUSA-N 2 0 281.444 1.454 10 0 CDAERP C[C@H](C[NH2+]CCN1CC[C@@H](O)C1)Cc1ccccc1 ZINC000628464526 374183055 /nfs/dbraw/zinc/18/30/55/374183055.db2.gz AAUIAJLNPLINLP-GOEBONIOSA-N 2 0 262.397 1.521 10 0 CDAERP C[C@H]1C[C@H](N(C)CC[NH+]2CCCCC2)CC[N@@H+]1C ZINC000123624703 374701498 /nfs/dbraw/zinc/70/14/98/374701498.db2.gz QVMSWXBLFTXOFR-LSDHHAIUSA-N 2 0 253.434 1.887 10 0 CDAERP [NH3+][C@H]1CC=C(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000638800696 374817570 /nfs/dbraw/zinc/81/75/70/374817570.db2.gz OQSNXUWJOABYCL-WBVHZDCISA-N 2 0 299.418 1.672 10 0 CDAERP CCC[NH+]1CCC(C[NH2+]Cc2ccc(=O)[nH]c2)CC1 ZINC000631064884 374868505 /nfs/dbraw/zinc/86/85/05/374868505.db2.gz UDNXNATYXPCYOR-UHFFFAOYSA-N 2 0 263.385 1.999 10 0 CDAERP C[C@@H]1CC[C@]2(CC[N@H+](CC(=O)N3CCN(C)CC3)C2)C1 ZINC000334336992 374923037 /nfs/dbraw/zinc/92/30/37/374923037.db2.gz UPGDMADKJYKVET-ZBFHGGJFSA-N 2 0 279.428 1.273 10 0 CDAERP [NH3+][C@H]1CCCCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000638833314 375040006 /nfs/dbraw/zinc/04/00/06/375040006.db2.gz VLVXDZRSCQGBMU-AWEZNQCLSA-N 2 0 279.428 1.592 10 0 CDAERP CS[C@@H]1CC[C@@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000425354369 246790813 /nfs/dbraw/zinc/79/08/13/246790813.db2.gz NQTJSLUUZPOKJE-UONOGXRCSA-N 2 0 271.474 1.496 10 0 CDAERP CC[NH2+]CC1CCN(C(=O)NC[C@@H](C)[NH+](CC)CC)CC1 ZINC000417003946 375714301 /nfs/dbraw/zinc/71/43/01/375714301.db2.gz HNOQPYGWZMFGLM-CQSZACIVSA-N 2 0 298.475 1.748 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)CC[N@@H+]1C ZINC000631232361 376026536 /nfs/dbraw/zinc/02/65/36/376026536.db2.gz ARMPGCYZCWNVGY-RRFJBIMHSA-N 2 0 279.428 1.269 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)N[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000417383437 376059923 /nfs/dbraw/zinc/05/99/23/376059923.db2.gz ARDHFIPDQJZPNN-VXGBXAGGSA-N 2 0 270.421 1.286 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@]2(C)CCC[NH2+]C2)CC1 ZINC000638976347 376325111 /nfs/dbraw/zinc/32/51/11/376325111.db2.gz XGIOYKVTANQPOA-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)CCCC[NH3+])CC1 ZINC000638976351 376325341 /nfs/dbraw/zinc/32/53/41/376325341.db2.gz XIYQBOIXSULXSI-UHFFFAOYSA-N 2 0 255.406 1.448 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)[C@H]1CC ZINC000631597820 376396948 /nfs/dbraw/zinc/39/69/48/376396948.db2.gz DRPCTMXPUXVYKF-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP COc1ccc(OCC[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000631842981 376701908 /nfs/dbraw/zinc/70/19/08/376701908.db2.gz IEPJHEDVBICHHL-CHWSQXEVSA-N 2 0 264.369 1.601 10 0 CDAERP C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631843565 376706215 /nfs/dbraw/zinc/70/62/15/376706215.db2.gz PQTOPDJYMNFRGA-IIAWOOMASA-N 2 0 289.423 1.560 10 0 CDAERP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000251858400 483083532 /nfs/dbraw/zinc/08/35/32/483083532.db2.gz OBMCSDOBSBOCDT-YNEHKIRRSA-N 2 0 255.406 1.206 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N[C@@H](C)CCC[NH3+])CC1 ZINC000417398547 376922749 /nfs/dbraw/zinc/92/27/49/376922749.db2.gz YIKXDAIEVJBKAC-ZDUSSCGKSA-N 2 0 284.448 1.535 10 0 CDAERP C[N@@H+]1CCC[C@H]2CN(CC(=O)NCc3ccco3)CC[C@H]21 ZINC000248009249 377191482 /nfs/dbraw/zinc/19/14/82/377191482.db2.gz LCYYLUVNMWPPLD-DZGCQCFKSA-N 2 0 291.395 1.312 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000247535549 377145399 /nfs/dbraw/zinc/14/53/99/377145399.db2.gz XXZNCWMMFXMWID-RBSFLKMASA-N 2 0 296.459 1.595 10 0 CDAERP CN(C)[C@H](C[NH2+][C@H]1CCC[NH2+]CC1)c1ccco1 ZINC000128881611 377325519 /nfs/dbraw/zinc/32/55/19/377325519.db2.gz YPGXVZPHIJCRNO-QWHCGFSZSA-N 2 0 251.374 1.614 10 0 CDAERP C[C@@H]1CC[N@H+](Cc2ccc3c[nH]nc3c2)C[C@@H]1C[NH3+] ZINC000334820782 377655517 /nfs/dbraw/zinc/65/55/17/377655517.db2.gz MTKPXMNRQAOFBF-RISCZKNCSA-N 2 0 258.369 1.980 10 0 CDAERP CC1CCC(C[N@H+](C)CCN2CC[NH2+]CC2)CC1 ZINC000089577933 483103310 /nfs/dbraw/zinc/10/33/10/483103310.db2.gz QOELCTRRPHUFQD-UHFFFAOYSA-N 2 0 253.434 1.650 10 0 CDAERP O=C1C[C@@H](c2ccccc2)[N@H+](C[C@@H]2CCC[NH2+]C2)CCN1 ZINC000335013497 377803463 /nfs/dbraw/zinc/80/34/63/377803463.db2.gz WYMSNVZECNXDCK-ZBFHGGJFSA-N 2 0 287.407 1.549 10 0 CDAERP C[C@H]([NH3+])CCC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000193300236 378288767 /nfs/dbraw/zinc/28/87/67/378288767.db2.gz JFKCIYFVMWCJST-NSHDSACASA-N 2 0 253.390 1.104 10 0 CDAERP CCCN(C(=O)[C@@H]1CC[NH+](C)[C@H]1CC)[C@@H]1CC[N@H+](C)C1 ZINC000633553038 378529788 /nfs/dbraw/zinc/52/97/88/378529788.db2.gz UMSSAFGYADYMNZ-KFWWJZLASA-N 2 0 281.444 1.659 10 0 CDAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CCCC1CCC1 ZINC001662387215 1172540295 /nfs/dbraw/zinc/54/02/95/1172540295.db2.gz ALWHXDDBSIEWTJ-AWEZNQCLSA-N 2 0 293.455 1.757 10 0 CDAERP CCc1cc(N2CC[NH+]([C@H](CC)CO)CC2)cc[nH+]1 ZINC000450362363 251246214 /nfs/dbraw/zinc/24/62/14/251246214.db2.gz QREDSITWRDUZSE-CQSZACIVSA-N 2 0 263.385 1.537 10 0 CDAERP CCC(C)(C)[NH+]1CCN(C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000655968683 412971020 /nfs/dbraw/zinc/97/10/20/412971020.db2.gz DQUBODYTXNBWBQ-UHFFFAOYSA-N 2 0 296.459 1.631 10 0 CDAERP CN1CCN(C(=O)[C@@H]2CCCC3(CC3)C2)[C@H](C[NH3+])C1 ZINC000662428127 413005995 /nfs/dbraw/zinc/00/59/95/413005995.db2.gz HKTNRYLTARQFIN-CHWSQXEVSA-N 2 0 265.401 1.058 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000188748431 140100900 /nfs/dbraw/zinc/10/09/00/140100900.db2.gz RTNBUNBMKGKPFX-WCQYABFASA-N 2 0 271.380 1.067 10 0 CDAERP CC[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)CC[C@@H]1[NH3+] ZINC000648126519 390145444 /nfs/dbraw/zinc/14/54/44/390145444.db2.gz LPKVCZOWTAOXQG-YPMHNXCESA-N 2 0 276.384 1.347 10 0 CDAERP C[NH+](C)Cc1ccc(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)cc1 ZINC000646920572 390290587 /nfs/dbraw/zinc/29/05/87/390290587.db2.gz RXWYEDIEMDYYIF-HZPDHXFCSA-N 2 0 287.407 1.524 10 0 CDAERP CC[C@@H]1CN(C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC[C@@H]1[NH3+] ZINC000647015148 390354340 /nfs/dbraw/zinc/35/43/40/390354340.db2.gz JAIBQFLUGSKREA-APIJFGDWSA-N 2 0 281.444 1.870 10 0 CDAERP CC[N@@H+]1CC[C@H](CN[C@H]2C[C@@H](C)[NH+](C3CC3)C2)C1 ZINC000252713906 390526762 /nfs/dbraw/zinc/52/67/62/390526762.db2.gz QMJWEFWWWQAKGQ-MCIONIFRSA-N 2 0 251.418 1.543 10 0 CDAERP CC[N@H+](C)C[C@@H]1CCN([C@@H](C(=O)OC)C2CC2)C1 ZINC000359614103 390936681 /nfs/dbraw/zinc/93/66/81/390936681.db2.gz XUNDWSQLMKADMR-WCQYABFASA-N 2 0 254.374 1.212 10 0 CDAERP O=C(CC[C@@H]1CC[NH2+]C1)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000648210415 390953069 /nfs/dbraw/zinc/95/30/69/390953069.db2.gz RGYWPJHTURXBAJ-CHWSQXEVSA-N 2 0 265.401 1.167 10 0 CDAERP COC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)C1CCOCC1 ZINC000187798027 285396881 /nfs/dbraw/zinc/39/68/81/285396881.db2.gz ZHSVEMRGXRSZPJ-KRWDZBQOSA-N 2 0 296.455 1.892 10 0 CDAERP CC[N@@H+]1CC[C@@H](NCc2cc(C(N)=O)co2)[C@H](C)C1 ZINC000187734430 390994567 /nfs/dbraw/zinc/99/45/67/390994567.db2.gz VMFDKLNVXJGOIG-ZWNOBZJWSA-N 2 0 265.357 1.198 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000567910623 391130081 /nfs/dbraw/zinc/13/00/81/391130081.db2.gz AEMVRAJQAQJZSI-AVGNSLFASA-N 2 0 253.390 1.057 10 0 CDAERP CCN(CC)C(=O)C1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000647882647 391138766 /nfs/dbraw/zinc/13/87/66/391138766.db2.gz IUUDSEWUTSWSCT-ZDUSSCGKSA-N 2 0 267.417 1.176 10 0 CDAERP O[C@@]1(C(F)(F)F)CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647888145 391156026 /nfs/dbraw/zinc/15/60/26/391156026.db2.gz RCZITZUWEGELGI-LBPRGKRZSA-N 2 0 280.334 1.765 10 0 CDAERP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)NCC[NH3+])CC1 ZINC000418296227 391284197 /nfs/dbraw/zinc/28/41/97/391284197.db2.gz LONJHLUDXXLJIW-UHFFFAOYSA-N 2 0 284.448 1.487 10 0 CDAERP CC(C)n1cncc1CN1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000425335270 391469009 /nfs/dbraw/zinc/46/90/09/391469009.db2.gz HSVAJNQTFSKGIS-ZIAGYGMSSA-N 2 0 280.416 1.351 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000418554858 391519298 /nfs/dbraw/zinc/51/92/98/391519298.db2.gz DIBVHTDHHQTGPP-QLFBSQMISA-N 2 0 296.459 1.500 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NC1CC[NH2+]CC1 ZINC000417538931 391646752 /nfs/dbraw/zinc/64/67/52/391646752.db2.gz URNKXMNOOLCLGK-CHWSQXEVSA-N 2 0 282.432 1.301 10 0 CDAERP COc1ccccc1C1([NH2+]CCN2CC[NH2+]CC2)CC1 ZINC000647996297 391750503 /nfs/dbraw/zinc/75/05/03/391750503.db2.gz OPYLPZPDLFCKRL-UHFFFAOYSA-N 2 0 275.396 1.179 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000418196851 391803887 /nfs/dbraw/zinc/80/38/87/391803887.db2.gz IKEXEOOTBKWAKR-KKUMJFAQSA-N 2 0 296.459 1.500 10 0 CDAERP COC[C@H](CC1CCOCC1)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000657835455 413051109 /nfs/dbraw/zinc/05/11/09/413051109.db2.gz PXFIGEPLUOULEN-HOTGVXAUSA-N 2 0 296.455 1.892 10 0 CDAERP C[NH+]1CCC2(CC1)C[N@H+](CCCOC(C)(C)C)CCO2 ZINC000646104962 392015175 /nfs/dbraw/zinc/01/51/75/392015175.db2.gz YQILONLBMFCHMW-UHFFFAOYSA-N 2 0 284.444 1.988 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCn2cc(C)cn2)[C@@H](C)C1 ZINC000336808899 392096897 /nfs/dbraw/zinc/09/68/97/392096897.db2.gz SKFJGIOXLGVJTL-GJZGRUSLSA-N 2 0 264.417 1.854 10 0 CDAERP c1cnnc(N2CC[NH+](CCCC3CC[NH2+]CC3)CC2)c1 ZINC000649412002 392196191 /nfs/dbraw/zinc/19/61/91/392196191.db2.gz BTOQZMHRCIXXBO-UHFFFAOYSA-N 2 0 289.427 1.378 10 0 CDAERP CO[C@H](CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)C(F)(F)F ZINC000423065029 392310537 /nfs/dbraw/zinc/31/05/37/392310537.db2.gz ATNXTYBOCBSUTB-KXUCPTDWSA-N 2 0 254.296 1.684 10 0 CDAERP CC(C)[N@H+](C)CCCN[C@@H](C)c1c[nH+]ccc1N ZINC000422964018 392276372 /nfs/dbraw/zinc/27/63/72/392276372.db2.gz KEUOOOGSVSPUOD-LBPRGKRZSA-N 2 0 250.390 1.875 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000423021614 392279539 /nfs/dbraw/zinc/27/95/39/392279539.db2.gz CNUXBVKNYIAKPZ-XQLPTFJDSA-N 2 0 282.428 1.678 10 0 CDAERP C[C@H]([NH2+]CCc1cc(F)c(F)c(F)c1)C1C[NH2+]C1 ZINC000423049440 392300403 /nfs/dbraw/zinc/30/04/03/392300403.db2.gz XOFGVNMYCUVKDA-QMMMGPOBSA-N 2 0 258.287 1.844 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000423098152 392341331 /nfs/dbraw/zinc/34/13/31/392341331.db2.gz CFKXQFLFFVXYKN-QWRGUYRKSA-N 2 0 271.311 1.900 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000423103549 392346260 /nfs/dbraw/zinc/34/62/60/392346260.db2.gz LCQAGCPOTCNCNN-IUCAKERBSA-N 2 0 259.300 1.898 10 0 CDAERP [NH3+][C@H]1CCCCC[C@H]1[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000423114332 392356302 /nfs/dbraw/zinc/35/63/02/392356302.db2.gz VFSQMTSMUPUPTM-HRCADAONSA-N 2 0 262.397 1.840 10 0 CDAERP C[C@@]1(CNC2=[NH+]CCCN2)CCC[N@@H+]1Cc1ccccc1 ZINC000153557780 392402219 /nfs/dbraw/zinc/40/22/19/392402219.db2.gz ZZKMROKYUREIDR-KRWDZBQOSA-N 2 0 286.423 1.980 10 0 CDAERP CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000645889324 392472213 /nfs/dbraw/zinc/47/22/13/392472213.db2.gz CUVWJPMHBRTKOR-UONOGXRCSA-N 2 0 285.351 1.594 10 0 CDAERP COc1ccc([C@@H](NCC(C)(C)[NH3+])[C@@H]2CCC[NH2+]2)cc1 ZINC000423287339 392489191 /nfs/dbraw/zinc/48/91/91/392489191.db2.gz LOVHGORACJSRCL-LSDHHAIUSA-N 2 0 277.412 1.815 10 0 CDAERP CC[N@H+](CC(=O)N[C@H](CC(C)C)C[NH+](C)C)C1CC1 ZINC000131540607 393050257 /nfs/dbraw/zinc/05/02/57/393050257.db2.gz CPWGYFBIWQRULT-CYBMUJFWSA-N 2 0 269.433 1.563 10 0 CDAERP CCc1nccn1[C@H](C)CC(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000648795496 393363706 /nfs/dbraw/zinc/36/37/06/393363706.db2.gz MZRAPEFGPDFVRB-KGLIPLIRSA-N 2 0 292.427 1.949 10 0 CDAERP CCN(C(=O)NC[C@H]1CCCC[NH+]1CC)[C@@H]1CC[N@H+](C)C1 ZINC000664074752 413062740 /nfs/dbraw/zinc/06/27/40/413062740.db2.gz XFVCUDOQNHVKPS-HUUCEWRRSA-N 2 0 296.459 1.596 10 0 CDAERP CCN(C(=O)NCC[NH+](C)C1CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000664096167 413077448 /nfs/dbraw/zinc/07/74/48/413077448.db2.gz UYSWHIFRWPNUSL-CQSZACIVSA-N 2 0 282.432 1.206 10 0 CDAERP [NH3+][C@H]1CCCCCC[C@H]1C(=O)NCC1=CC[NH2+]CC1 ZINC000186328003 140060053 /nfs/dbraw/zinc/06/00/53/140060053.db2.gz RFMRJFVOCHJYOF-KGLIPLIRSA-N 2 0 265.401 1.320 10 0 CDAERP C[C@H](CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1)[S@](C)=O ZINC000229791887 140203838 /nfs/dbraw/zinc/20/38/38/140203838.db2.gz ZHVLDSKAQRZDSV-XCLFUZPHSA-N 2 0 295.452 1.797 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCCN1CCc2ccccc21 ZINC000234783058 140232118 /nfs/dbraw/zinc/23/21/18/140232118.db2.gz FOZSQIRQBFMUDQ-INIZCTEOSA-N 2 0 291.439 1.783 10 0 CDAERP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)CCn2cccn2)C1 ZINC000246013849 140280737 /nfs/dbraw/zinc/28/07/37/140280737.db2.gz UCYCPDPXJGHAKG-ZIAGYGMSSA-N 2 0 250.390 1.593 10 0 CDAERP NC(=O)C1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000250830286 140306283 /nfs/dbraw/zinc/30/62/83/140306283.db2.gz IVBRUTKLMATXBH-KDQUWOQTSA-N 2 0 293.455 1.931 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000252190900 140318442 /nfs/dbraw/zinc/31/84/42/140318442.db2.gz RORGHZFWDQLWAB-QLFBSQMISA-N 2 0 281.444 1.885 10 0 CDAERP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000252895492 140328951 /nfs/dbraw/zinc/32/89/51/140328951.db2.gz ZCJUXTCSULAJGY-SMDDNHRTSA-N 2 0 261.369 1.215 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000105148547 147215520 /nfs/dbraw/zinc/21/55/20/147215520.db2.gz OOWVWIMVBWDDNL-KGLIPLIRSA-N 2 0 298.475 1.745 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656200869 413100358 /nfs/dbraw/zinc/10/03/58/413100358.db2.gz WIWIYHMNVRSLTO-UXXRCYHCSA-N 2 0 269.433 1.344 10 0 CDAERP COc1ccccc1[C@H]1CNCCN1C(=O)C[NH2+]C(C)C ZINC000662559828 413127746 /nfs/dbraw/zinc/12/77/46/413127746.db2.gz CQWOAVWIXHOCJZ-CQSZACIVSA-N 2 0 291.395 1.166 10 0 CDAERP C[C@H](CCC[NH3+])NC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662567876 413134727 /nfs/dbraw/zinc/13/47/27/413134727.db2.gz IEBGDXDPFUKGAU-IUODEOHRSA-N 2 0 289.423 1.922 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cn3cccnc3n2)C1 ZINC000656269803 413144861 /nfs/dbraw/zinc/14/48/61/413144861.db2.gz VDDSCJQUUPJAOU-BJHJDKERSA-N 2 0 259.357 1.159 10 0 CDAERP O=C(c1cccc2c1C[NH2+]C2)N1CCC2(CC[NH2+]2)CC1 ZINC000662579549 413147817 /nfs/dbraw/zinc/14/78/17/413147817.db2.gz XUSIOMOCWGOIQX-UHFFFAOYSA-N 2 0 271.364 1.258 10 0 CDAERP CCOC[C@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658068700 413168612 /nfs/dbraw/zinc/16/86/12/413168612.db2.gz YLXIKHUMPOLKOL-AWEZNQCLSA-N 2 0 284.444 1.892 10 0 CDAERP C[C@@H]([NH3+])CC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000037607866 398094675 /nfs/dbraw/zinc/09/46/75/398094675.db2.gz GIDPWFDZHFWJKF-GFCCVEGCSA-N 2 0 261.369 1.958 10 0 CDAERP CC(C)C[C@@H]([NH3+])C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000037001317 398053243 /nfs/dbraw/zinc/05/32/43/398053243.db2.gz CORVATHGYLQJEV-QWHCGFSZSA-N 2 0 257.422 1.452 10 0 CDAERP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@]2(C1)CCCOC2 ZINC000660497692 413177534 /nfs/dbraw/zinc/17/75/34/413177534.db2.gz ZXYPIOUDSUMIQH-CABCVRRESA-N 2 0 270.417 1.190 10 0 CDAERP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)NC1CCCCC1 ZINC000063199917 146882385 /nfs/dbraw/zinc/88/23/85/146882385.db2.gz FHZPQVCHFKQVCA-MRXNPFEDSA-N 2 0 293.455 1.899 10 0 CDAERP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)C1 ZINC000667820083 483449096 /nfs/dbraw/zinc/44/90/96/483449096.db2.gz NQWYYAHTYXVCAJ-VHDGCEQUSA-N 2 0 252.402 1.875 10 0 CDAERP C[C@@H]1CCC[N@H+](CCNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000654374203 413196673 /nfs/dbraw/zinc/19/66/73/413196673.db2.gz MAYBSCDLSQDLSQ-KFWWJZLASA-N 2 0 296.459 1.358 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000091543721 146984049 /nfs/dbraw/zinc/98/40/49/146984049.db2.gz IPXVVMNIZHGBTQ-STQMWFEESA-N 2 0 267.417 1.447 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1CCC ZINC000352381723 155148742 /nfs/dbraw/zinc/14/87/42/155148742.db2.gz GHICYDHUIFNXRO-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000105124961 147213468 /nfs/dbraw/zinc/21/34/68/147213468.db2.gz OVLSNDPHVQEAQA-UONOGXRCSA-N 2 0 284.448 1.452 10 0 CDAERP Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000658110296 413211193 /nfs/dbraw/zinc/21/11/93/413211193.db2.gz XCQAGWMGQXSTFS-KBPBESRZSA-N 2 0 295.475 1.651 10 0 CDAERP Cn1cc(C2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)cn1 ZINC000262025335 149004522 /nfs/dbraw/zinc/00/45/22/149004522.db2.gz NNRYGQHPPDDGAU-OAHLLOKOSA-N 2 0 262.401 1.599 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262668090 149093485 /nfs/dbraw/zinc/09/34/85/149093485.db2.gz LMIYRQLOMNBBCK-WZYMTQMTSA-N 2 0 293.455 1.898 10 0 CDAERP CCC[C@](C)([NH3+])C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000262705155 149100098 /nfs/dbraw/zinc/10/00/98/149100098.db2.gz LQWXICHSVLALBB-ZBFHGGJFSA-N 2 0 297.443 1.075 10 0 CDAERP CC[NH+](CC)CCSCC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000262751560 149109543 /nfs/dbraw/zinc/10/95/43/149109543.db2.gz JXYPHZOSCZHYRO-CHWSQXEVSA-N 2 0 287.473 1.176 10 0 CDAERP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000335021021 150194268 /nfs/dbraw/zinc/19/42/68/150194268.db2.gz KBHTWKOLWBKJPM-UONOGXRCSA-N 2 0 279.428 1.639 10 0 CDAERP CC1=CC[N@H+](CCNC(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000335186906 150385721 /nfs/dbraw/zinc/38/57/21/150385721.db2.gz ZNXWTFBFDZEZKU-UHFFFAOYSA-N 2 0 280.416 1.032 10 0 CDAERP C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000335476484 289295464 /nfs/dbraw/zinc/29/54/64/289295464.db2.gz CQRGSJWFBIKGFI-OAHLLOKOSA-N 2 0 275.396 1.702 10 0 CDAERP COC(=O)[C@](C)(O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000343688128 152267322 /nfs/dbraw/zinc/26/73/22/152267322.db2.gz KRSPGUJHSZTEGR-WOSRLPQWSA-N 2 0 298.427 1.153 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC)CC ZINC000349084600 154047562 /nfs/dbraw/zinc/04/75/62/154047562.db2.gz YDGCJOUSQUDMLL-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP C[N@@H+]1CC[C@@]2(CCN(CCO[C@H]3CC3(F)F)C2)C1 ZINC000660616725 413298385 /nfs/dbraw/zinc/29/83/85/413298385.db2.gz OPZMDMSDBKGGEJ-NWDGAFQWSA-N 2 0 260.328 1.438 10 0 CDAERP [NH3+]CC12CC(C1)CN2C(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000662680230 413298661 /nfs/dbraw/zinc/29/86/61/413298661.db2.gz HZIMADCXEYIGQT-SBEAFCBVSA-N 2 0 265.401 1.234 10 0 CDAERP [NH3+]CC12CC(C1)CN2C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000662679625 413299233 /nfs/dbraw/zinc/29/92/33/413299233.db2.gz AHMSAXHKRYWUCY-CXOJTPOUSA-N 2 0 273.380 1.416 10 0 CDAERP O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C1([NH2+]C2CC2)CCC1 ZINC000662681403 413301360 /nfs/dbraw/zinc/30/13/60/413301360.db2.gz GOKDKQGAQHHBEB-KBPBESRZSA-N 2 0 277.412 1.404 10 0 CDAERP CC(C)[NH+]1CCC([NH2+][C@@H]2C[C@H](O)C23CCC3)CC1 ZINC000658250819 413313746 /nfs/dbraw/zinc/31/37/46/413313746.db2.gz DIAUWXKPPMPNHJ-KGLIPLIRSA-N 2 0 252.402 1.752 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000662733675 413405213 /nfs/dbraw/zinc/40/52/13/413405213.db2.gz VCECIVZTBQFGHR-LLVKDONJSA-N 2 0 281.425 1.497 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662750275 413425051 /nfs/dbraw/zinc/42/50/51/413425051.db2.gz TXHBNDZRWCQFDL-UHFFFAOYSA-N 2 0 282.388 1.330 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H](NC(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662770289 413469399 /nfs/dbraw/zinc/46/93/99/413469399.db2.gz OGBMSQYKCYNOMY-ZYHUDNBSSA-N 2 0 251.374 1.047 10 0 CDAERP CCOCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001665597014 1173017660 /nfs/dbraw/zinc/01/76/60/1173017660.db2.gz CEWGVRRHKKJCNL-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@H](C[NH2+]CCCN1CC[NH2+]CC1)Cc1ccccc1 ZINC000414778802 298771775 /nfs/dbraw/zinc/77/17/75/298771775.db2.gz IZUYIABCQSJEOQ-INIZCTEOSA-N 2 0 275.440 1.750 10 0 CDAERP CCc1ccc([C@H]([NH3+])CN2CCC[N@H+](C)CC2)cc1 ZINC000020260478 171116552 /nfs/dbraw/zinc/11/65/52/171116552.db2.gz YBVYGJCBJGAIST-MRXNPFEDSA-N 2 0 261.413 1.886 10 0 CDAERP CCO[C@@H]1CN(C(=O)CC2(C[NH3+])CCCCC2)C[C@H]1C[NH3+] ZINC000653247795 412175244 /nfs/dbraw/zinc/17/52/44/412175244.db2.gz RMKBGYSOZSHKGP-ZIAGYGMSSA-N 2 0 297.443 1.108 10 0 CDAERP [NH3+]C1(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CC2(CCC2)C1 ZINC000662782843 413491784 /nfs/dbraw/zinc/49/17/84/413491784.db2.gz GYEVZYARIPJXOO-BETUJISGSA-N 2 0 277.412 1.106 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662823175 413551744 /nfs/dbraw/zinc/55/17/44/413551744.db2.gz OTXAPOHNNKOCKA-UHFFFAOYSA-N 2 0 282.388 1.282 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662844915 413595803 /nfs/dbraw/zinc/59/58/03/413595803.db2.gz BXXKCMONHZJKHA-ZDUSSCGKSA-N 2 0 293.455 1.898 10 0 CDAERP CCO[C@@H]1CN(CC(=O)N2[C@@H](C)CCC[C@@H]2C)C[C@H]1C[NH3+] ZINC000405613003 413642610 /nfs/dbraw/zinc/64/26/10/413642610.db2.gz SVLUDZPHPPRTGX-BYNSBNAKSA-N 2 0 297.443 1.072 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000662925144 413708268 /nfs/dbraw/zinc/70/82/68/413708268.db2.gz NMQZNUAQVGVACW-CRWXNKLISA-N 2 0 267.417 1.397 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000662925569 413710102 /nfs/dbraw/zinc/71/01/02/413710102.db2.gz CQGRXHADAQPFAS-FRRDWIJNSA-N 2 0 255.406 1.349 10 0 CDAERP CCN(C(=O)N[C@H]1CCc2[nH]cnc2C1)[C@@H]1CC[N@H+](C)C1 ZINC000664926102 413735303 /nfs/dbraw/zinc/73/53/03/413735303.db2.gz FWACTWOPLOCDLA-NWDGAFQWSA-N 2 0 291.399 1.003 10 0 CDAERP C[C@H]([NH3+])CCC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663003672 413801796 /nfs/dbraw/zinc/80/17/96/413801796.db2.gz MTFPRKCZCVQAKK-GXTWGEPZSA-N 2 0 267.417 1.352 10 0 CDAERP C[C@@]1(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CC[NH2+]C1 ZINC000659367747 413752715 /nfs/dbraw/zinc/75/27/15/413752715.db2.gz NLSFNAMEMRAJIF-GOEBONIOSA-N 2 0 289.379 1.286 10 0 CDAERP CC(C)(CNC(=O)N1CC2CC1(C[NH3+])C2)C[NH+]1CCCC1 ZINC000659485711 413877536 /nfs/dbraw/zinc/87/75/36/413877536.db2.gz XCRRFYDIWAATQT-UHFFFAOYSA-N 2 0 294.443 1.241 10 0 CDAERP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000659536468 413938658 /nfs/dbraw/zinc/93/86/58/413938658.db2.gz IAHSUFXZCPKBPE-KKUMJFAQSA-N 2 0 296.459 1.404 10 0 CDAERP CC(C)[C@H]([NH3+])CCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000665283421 414018628 /nfs/dbraw/zinc/01/86/28/414018628.db2.gz NLCXPVCVTLOFOW-KBUPBQIOSA-N 2 0 269.433 1.107 10 0 CDAERP COC[C@H](CC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)OC ZINC000665234324 413957230 /nfs/dbraw/zinc/95/72/30/413957230.db2.gz AWMYVDHGPQXNQW-TUKIKUTGSA-N 2 0 264.369 1.772 10 0 CDAERP C[C@@H](C[N@H+](CCC[NH3+])C1CCCCCC1)C(N)=O ZINC000037227011 173047474 /nfs/dbraw/zinc/04/74/74/173047474.db2.gz AKGISCGQOXBTTM-LBPRGKRZSA-N 2 0 255.406 1.481 10 0 CDAERP c1cc(CN[C@@H]2CC[N@H+](CC3CC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000657355436 414225488 /nfs/dbraw/zinc/22/54/88/414225488.db2.gz NWCMJEVUTAPHBN-OAHLLOKOSA-N 2 0 297.406 1.841 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](C[C@@]2(O)CCCOC2)CC1 ZINC000659842467 414168717 /nfs/dbraw/zinc/16/87/17/414168717.db2.gz ABZNWBYAKWUZLL-INIZCTEOSA-N 2 0 284.444 1.582 10 0 CDAERP COC[C@H](C)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657331866 414181370 /nfs/dbraw/zinc/18/13/70/414181370.db2.gz SCVXRBCLYUOAPK-GFCCVEGCSA-N 2 0 260.341 1.639 10 0 CDAERP COCC1(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000655815984 414216911 /nfs/dbraw/zinc/21/69/11/414216911.db2.gz MALCSNMKSJOFRC-MCIONIFRSA-N 2 0 252.402 1.875 10 0 CDAERP C[C@H](CO)[C@H](C)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657370309 414249320 /nfs/dbraw/zinc/24/93/20/414249320.db2.gz BQNGUSVXFCFRCS-NEPJUHHUSA-N 2 0 260.341 1.374 10 0 CDAERP CO[C@H](C[NH+]1CCC([N@H+](C)CCCO)CC1)C1CCC1 ZINC000659930181 414274268 /nfs/dbraw/zinc/27/42/68/414274268.db2.gz BOFKJLHYLQJGIV-MRXNPFEDSA-N 2 0 284.444 1.580 10 0 CDAERP OC[C@H]1C=C[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657398157 414286093 /nfs/dbraw/zinc/28/60/93/414286093.db2.gz IINXBMKMBFBXKW-QWHCGFSZSA-N 2 0 270.336 1.294 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2ccncc2)CC1 ZINC000663501900 414302224 /nfs/dbraw/zinc/30/22/24/414302224.db2.gz BVBPXIYMPQPNJC-UHFFFAOYSA-N 2 0 290.411 1.162 10 0 CDAERP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cnn3c2CCC3)C1 ZINC000657491708 414389316 /nfs/dbraw/zinc/38/93/16/414389316.db2.gz IQWCOBZTFMOIHA-CYBMUJFWSA-N 2 0 262.401 1.651 10 0 CDAERP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)C1CCC(F)CC1 ZINC000661998567 414466589 /nfs/dbraw/zinc/46/65/89/414466589.db2.gz LIZHXJMWSHZQTE-ABXWRUBCSA-N 2 0 260.397 1.805 10 0 CDAERP COC[C@@H](C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)OC ZINC000662292519 414618372 /nfs/dbraw/zinc/61/83/72/414618372.db2.gz FURMBXQKOKIZAW-LSDHHAIUSA-N 2 0 270.417 1.359 10 0 CDAERP C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662248537 414583091 /nfs/dbraw/zinc/58/30/91/414583091.db2.gz FIRSNMMVPJIZFN-CYBMUJFWSA-N 2 0 290.363 1.368 10 0 CDAERP COc1ccc([C@H](C[NH3+])C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)cc1 ZINC000662316171 414635540 /nfs/dbraw/zinc/63/55/40/414635540.db2.gz JBQFYGGIMQKUFD-OAGGEKHMSA-N 2 0 290.407 1.706 10 0 CDAERP CC[NH+]1CCC(NC(=O)C2CCC([NH3+])CC2)CC1 ZINC000038098251 174113667 /nfs/dbraw/zinc/11/36/67/174113667.db2.gz AQKUVJFGRXCWJQ-UHFFFAOYSA-N 2 0 253.390 1.104 10 0 CDAERP CCCC[C@H]([NH3+])C(=O)N(C)C1CC[NH+](CCC)CC1 ZINC000038100797 174115690 /nfs/dbraw/zinc/11/56/90/174115690.db2.gz HQZWVBZRXJLOPU-AWEZNQCLSA-N 2 0 269.433 1.837 10 0 CDAERP [NH3+][C@H]1CCC[C@H]1N1CC[NH+](Cc2ccccc2)CC1 ZINC000040431786 174260243 /nfs/dbraw/zinc/26/02/43/174260243.db2.gz HWQDJUYUPMSPFL-JKSUJKDBSA-N 2 0 259.397 1.684 10 0 CDAERP CCC(CC)[C@@H](CNC(=O)[C@H]1CCC[NH2+]1)[NH+](C)C ZINC000040831402 174413458 /nfs/dbraw/zinc/41/34/58/174413458.db2.gz IUGRESABSQVSMB-CHWSQXEVSA-N 2 0 255.406 1.221 10 0 CDAERP CC(C)C[N@H+](CCC[NH3+])[C@@H](C)C(=O)NCc1ccco1 ZINC000043417297 175038295 /nfs/dbraw/zinc/03/82/95/175038295.db2.gz ZCMUNXLKHBTUCU-ZDUSSCGKSA-N 2 0 281.400 1.591 10 0 CDAERP CC[NH+]1CCC(C[NH3+])(N2CCO[C@H]3CCCC[C@@H]32)CC1 ZINC000043424936 175039833 /nfs/dbraw/zinc/03/98/33/175039833.db2.gz HRPYKFHNWZOSSZ-GJZGRUSLSA-N 2 0 281.444 1.443 10 0 CDAERP CC[NH+](CC)CCC[C@@H](C)[NH2+]CCCC(=O)N(C)C ZINC000043448234 175049136 /nfs/dbraw/zinc/04/91/36/175049136.db2.gz FEUDPFBJVHJXOS-CQSZACIVSA-N 2 0 271.449 1.955 10 0 CDAERP CC[N@H+](CCCC(=O)N(C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000043454036 175049553 /nfs/dbraw/zinc/04/95/53/175049553.db2.gz XXJUOBQGNROUGW-PBWFPOADSA-N 2 0 267.417 1.460 10 0 CDAERP CC[NH2+][C@H]1CCCC[C@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815369 175112267 /nfs/dbraw/zinc/11/22/67/175112267.db2.gz KWIGTLOPGFABIO-LSDHHAIUSA-N 2 0 253.434 1.933 10 0 CDAERP C[NH2+][C@@H]1CCCCCC[C@@H]1N1CCC[N@H+](C)CC1 ZINC000043818077 175112817 /nfs/dbraw/zinc/11/28/17/175112817.db2.gz PMLSNVYIPBGHJD-CABCVRRESA-N 2 0 253.434 1.935 10 0 CDAERP C[NH2+][C@@H]1CCCC[C@H]1N1CC[NH+](C(C)(C)C)CC1 ZINC000043965522 175127315 /nfs/dbraw/zinc/12/73/15/175127315.db2.gz ONOBLSNNIBSUCK-ZIAGYGMSSA-N 2 0 253.434 1.933 10 0 CDAERP CC[NH2+][C@@H]1CCCC[C@H]1N1CC[NH+](CC2CC2)CC1 ZINC000043967966 175129016 /nfs/dbraw/zinc/12/90/16/175129016.db2.gz FLMFBOVUVARBPQ-HZPDHXFCSA-N 2 0 265.445 1.935 10 0 CDAERP CC[NH2+][C@@H]1CCOC[C@@H]1N(CC[NH+](C)C)CC(C)C ZINC000043982286 175134168 /nfs/dbraw/zinc/13/41/68/175134168.db2.gz PRBAPXMQOKCLFI-CABCVRRESA-N 2 0 271.449 1.273 10 0 CDAERP CCC[N@@H+]1CCc2nc(N3CC[NH2+]CC3)sc2C1 ZINC000044494132 175182029 /nfs/dbraw/zinc/18/20/29/175182029.db2.gz UTUPUOAERDNPQL-UHFFFAOYSA-N 2 0 266.414 1.321 10 0 CDAERP COc1cc(C[NH2+]CC2CC[NH+](C)CC2)ccc1O ZINC000044515275 175190177 /nfs/dbraw/zinc/19/01/77/175190177.db2.gz PWSXQVYFSMMXTP-UHFFFAOYSA-N 2 0 264.369 1.832 10 0 CDAERP COC(=O)c1ccccc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000044516446 175190436 /nfs/dbraw/zinc/19/04/36/175190436.db2.gz PVTKEOHJSXTHQJ-UHFFFAOYSA-N 2 0 276.380 1.905 10 0 CDAERP C[NH+]1CCC(C[NH2+]Cc2ccc(C(N)=O)cc2F)CC1 ZINC000044518409 175191159 /nfs/dbraw/zinc/19/11/59/175191159.db2.gz YLOIXWCTFWFSRT-UHFFFAOYSA-N 2 0 279.359 1.356 10 0 CDAERP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)C(=O)N1CCCCC1 ZINC000044518320 175191188 /nfs/dbraw/zinc/19/11/88/175191188.db2.gz JJYZCSYUVARENH-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP Cc1nc(CN(C)C2(C[NH3+])C[C@H]3CC[C@@H](C2)[N@H+]3C)cs1 ZINC000044609013 175215778 /nfs/dbraw/zinc/21/57/78/175215778.db2.gz BPXOUNLHGGVDEL-YIONKMFJSA-N 2 0 294.468 1.837 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)C1(C[NH3+])CCCC1 ZINC000044764251 175248166 /nfs/dbraw/zinc/24/81/66/175248166.db2.gz QBNLYIAJAXORJV-UHFFFAOYSA-N 2 0 269.433 1.552 10 0 CDAERP CC[C@@H](C[NH3+])C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000044797768 175254709 /nfs/dbraw/zinc/25/47/09/175254709.db2.gz UWERFMMLRVCPQK-SWLSCSKDSA-N 2 0 293.411 1.399 10 0 CDAERP CC[NH2+][C@@](C)(CCCC[NH+]1CCCCC1)C(N)=O ZINC000045378257 175367403 /nfs/dbraw/zinc/36/74/03/175367403.db2.gz BEYNWCXLQCGGLX-AWEZNQCLSA-N 2 0 255.406 1.496 10 0 CDAERP CCC[N@H+](CCC[C@@](C)([NH3+])C(=O)OCC)C1CC1 ZINC000045387560 175373243 /nfs/dbraw/zinc/37/32/43/175373243.db2.gz BMFMCFMETOCFKX-CQSZACIVSA-N 2 0 256.390 1.922 10 0 CDAERP CCC(CC)[N@H+](C)CCC[C@@](C)([NH2+]C1CC1)C(N)=O ZINC000045391685 175374944 /nfs/dbraw/zinc/37/49/44/175374944.db2.gz ZZTAPSNQHQVHQA-OAHLLOKOSA-N 2 0 269.433 1.883 10 0 CDAERP CCOC(=O)[C@](C)([NH3+])CCC[N@H+](CCOC)CC(C)C ZINC000045421551 175379532 /nfs/dbraw/zinc/37/95/32/175379532.db2.gz NAAGDOGIELFDQL-OAHLLOKOSA-N 2 0 288.432 1.652 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000070576897 175992123 /nfs/dbraw/zinc/99/21/23/175992123.db2.gz LOAZFJLGNFQTTH-UONOGXRCSA-N 2 0 281.444 1.837 10 0 CDAERP CC(C)[NH2+][C@@H]1CCCN([C@@H](C[NH+](C)C)C(C)C)C1=O ZINC000071034295 176024392 /nfs/dbraw/zinc/02/43/92/176024392.db2.gz UWFJOBXJGLRTPB-KGLIPLIRSA-N 2 0 269.433 1.562 10 0 CDAERP CCC[NH2+][C@@H]1CCCN(C[C@@H]2CCCC[N@@H+]2C)C1=O ZINC000071033661 176024406 /nfs/dbraw/zinc/02/44/06/176024406.db2.gz OYAZPRFOWQBDRZ-UONOGXRCSA-N 2 0 267.417 1.461 10 0 CDAERP CCC[NH2+][C@H]1CCN([C@H](C)C[NH+]2CCCCC2)C1=O ZINC000071037385 176025770 /nfs/dbraw/zinc/02/57/70/176025770.db2.gz ZHJNKOBTZVLVCY-KGLIPLIRSA-N 2 0 267.417 1.461 10 0 CDAERP CC[NH+]1CCC(CN2CCC[C@H]([NH2+]C3CC3)C2=O)CC1 ZINC000071036472 176025970 /nfs/dbraw/zinc/02/59/70/176025970.db2.gz GFIXCSAAVGHHNC-HNNXBMFYSA-N 2 0 279.428 1.461 10 0 CDAERP Cc1ccc(SCC[N@@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC000071150545 176044920 /nfs/dbraw/zinc/04/49/20/176044920.db2.gz DQTUUKYPCIYJBG-UHFFFAOYSA-N 2 0 293.480 1.924 10 0 CDAERP C[C@H]([NH3+])[C@H](c1ccccc1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071187936 176062201 /nfs/dbraw/zinc/06/22/01/176062201.db2.gz ZIIASMXXFZEVET-SQWLQELKSA-N 2 0 261.413 1.958 10 0 CDAERP COc1ccc([C@H]([C@@H](C)[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000071187869 176062235 /nfs/dbraw/zinc/06/22/35/176062235.db2.gz GMCRDEAOHNWVRQ-CPUCHLNUSA-N 2 0 291.439 1.967 10 0 CDAERP CC[C@@H]([NH3+])[C@H](c1ccccn1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188105 176063170 /nfs/dbraw/zinc/06/31/70/176063170.db2.gz DAOGBQMZTVUTPZ-IIAWOOMASA-N 2 0 276.428 1.744 10 0 CDAERP CCC[NH2+][C@H]1CCC[C@@H]1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189021 176064348 /nfs/dbraw/zinc/06/43/48/176064348.db2.gz VEIJNGUMKDSNHV-ILXRZTDVSA-N 2 0 253.434 1.791 10 0 CDAERP CC[NH2+]Cc1occc1CN(C)C[C@H]1CC[N@H+](C)C1 ZINC000071191893 176071911 /nfs/dbraw/zinc/07/19/11/176071911.db2.gz CQQWRXSFSQDXGW-ZDUSSCGKSA-N 2 0 265.401 1.773 10 0 CDAERP C[NH2+]Cc1cc(CN(C)C[C@@H]2CC[N@H+](C)C2)c(C)o1 ZINC000071192068 176073271 /nfs/dbraw/zinc/07/32/71/176073271.db2.gz OEENHPYCRPHFEM-CYBMUJFWSA-N 2 0 265.401 1.691 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)C[C@@H]2CC[NH+](C)C2)O1 ZINC000071192067 176073974 /nfs/dbraw/zinc/07/39/74/176073974.db2.gz FHUBKFXLRCILBI-ZACQAIPSSA-N 3 0 297.487 1.663 10 0 CDAERP CC(C)[NH2+][C@H]1CCN(C[C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000071200514 176077792 /nfs/dbraw/zinc/07/77/92/176077792.db2.gz RMKGBCBBZCQUGW-GJZGRUSLSA-N 2 0 253.434 1.789 10 0 CDAERP C[NH2+]CCCCCC[N@@H+]1CC[C@H](N2CCCC2)C1 ZINC000071289998 176110402 /nfs/dbraw/zinc/11/04/02/176110402.db2.gz SGBDNVVGBJXGGE-HNNXBMFYSA-N 2 0 253.434 1.936 10 0 CDAERP Cc1cnc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cn1 ZINC000071871595 176283703 /nfs/dbraw/zinc/28/37/03/176283703.db2.gz KRZAEAVSEDGBTA-AWEZNQCLSA-N 2 0 292.427 1.310 10 0 CDAERP C[C@H](O)C[NH+]1CCC(C[NH2+]CCOCC(F)(F)F)CC1 ZINC000071871112 176283757 /nfs/dbraw/zinc/28/37/57/176283757.db2.gz LHJCHOWFRXLFKQ-NSHDSACASA-N 2 0 298.349 1.248 10 0 CDAERP CCN1CC[NH+](C[C@H](CC[NH3+])c2cccs2)CC1 ZINC000076704834 177064368 /nfs/dbraw/zinc/06/43/68/177064368.db2.gz YBLRUAIXVIVRNP-ZDUSSCGKSA-N 2 0 267.442 1.818 10 0 CDAERP C[C@@H]1CCC[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000334875332 287354360 /nfs/dbraw/zinc/35/43/60/287354360.db2.gz RHDGSDWJYZOFLE-KGLIPLIRSA-N 2 0 267.417 1.306 10 0 CDAERP COc1cccc([C@H](C)N2CCCO[C@@H](C[NH3+])C2)c1 ZINC000313355155 260286498 /nfs/dbraw/zinc/28/64/98/260286498.db2.gz QTTCBCLZDYGUIT-WFASDCNBSA-N 2 0 264.369 1.806 10 0 CDAERP CC(C)[N@H+](C)CC1CC[NH+](C[C@H]2CNCCO2)CC1 ZINC000662259698 423802353 /nfs/dbraw/zinc/80/23/53/423802353.db2.gz AAQWYMBQCXCXQG-OAHLLOKOSA-N 2 0 269.433 1.027 10 0 CDAERP FC1(F)C[C@H]1OCC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000662272286 423824855 /nfs/dbraw/zinc/82/48/55/423824855.db2.gz DNXOUNHKXYIEJC-LLVKDONJSA-N 2 0 260.328 1.486 10 0 CDAERP CC(C)NC(=O)[C@@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000662315201 423947022 /nfs/dbraw/zinc/94/70/22/423947022.db2.gz CPDHHGVSJIKCEC-UONOGXRCSA-N 2 0 267.417 1.223 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CC[C@H](C)C2)CC1 ZINC000663507151 423900652 /nfs/dbraw/zinc/90/06/52/423900652.db2.gz YVAFMSUWPURDQH-ZFWWWQNUSA-N 2 0 281.444 1.755 10 0 CDAERP C[N@H+](CCOC(C)(C)C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662287119 423913905 /nfs/dbraw/zinc/91/39/05/423913905.db2.gz WGSNJYIYUBBFNI-GFCCVEGCSA-N 2 0 256.390 1.254 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)NCCC1(C[NH3+])CC1 ZINC000652163449 423983594 /nfs/dbraw/zinc/98/35/94/423983594.db2.gz OKHMGEPRXJVNDF-UHFFFAOYSA-N 2 0 270.421 1.147 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)NC(C)(C)C[NH3+] ZINC000652224548 424084675 /nfs/dbraw/zinc/08/46/75/424084675.db2.gz BIFCCYIQJCGMOG-UHFFFAOYSA-N 2 0 258.410 1.001 10 0 CDAERP [NH3+]C[C@@H](NC(=O)NCCC1(C[NH3+])CC1)C1CCCCC1 ZINC000652205794 424028441 /nfs/dbraw/zinc/02/84/41/424028441.db2.gz KKUFZFYOCVTNKZ-CYBMUJFWSA-N 2 0 282.432 1.322 10 0 CDAERP CC(C)N(CC[NH+](C)C)C(=O)NCCC1(C[NH3+])CC1 ZINC000652239163 424118145 /nfs/dbraw/zinc/11/81/45/424118145.db2.gz BBHOYQPVAORVCZ-UHFFFAOYSA-N 2 0 270.421 1.097 10 0 CDAERP CC[NH+](CC)CCCCNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653110316 424276844 /nfs/dbraw/zinc/27/68/44/424276844.db2.gz CQDQHMKKSLSNKR-GJZGRUSLSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662710335 424355408 /nfs/dbraw/zinc/35/54/08/424355408.db2.gz GWASKUMNFDCLKK-LBPRGKRZSA-N 2 0 267.417 1.508 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cc2n(n1)CCCC2 ZINC000655746016 424364409 /nfs/dbraw/zinc/36/44/09/424364409.db2.gz KXQYXMXNDKXZNA-MRXNPFEDSA-N 2 0 294.443 1.666 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CC[C@@H](C)SC2)CC1 ZINC000655690046 424397296 /nfs/dbraw/zinc/39/72/96/424397296.db2.gz SPZSPTMOMWETPK-RBSFLKMASA-N 2 0 285.501 1.886 10 0 CDAERP C[NH+](C)Cc1ccc(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc1 ZINC000662748682 424399526 /nfs/dbraw/zinc/39/95/26/424399526.db2.gz YWMKJMFYBFMDGP-ZIAGYGMSSA-N 2 0 279.359 1.260 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]([NH2+]CC2(CO)CC3(CCC3)C2)C1 ZINC000519608639 265494701 /nfs/dbraw/zinc/49/47/01/265494701.db2.gz IYHBIGCDUBTNFO-OLZOCXBDSA-N 2 0 252.402 1.789 10 0 CDAERP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)O1 ZINC000665264640 424480262 /nfs/dbraw/zinc/48/02/62/424480262.db2.gz FFBIVQNHYBGSBF-OXGONZEZSA-N 2 0 282.428 1.691 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H](OC)C1CCCC1 ZINC000665275962 424487960 /nfs/dbraw/zinc/48/79/60/424487960.db2.gz WGHNGUXEBARGCW-KBPBESRZSA-N 2 0 258.406 1.535 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2[NH2+]CCc3ccccc32)C1 ZINC000655488862 424509039 /nfs/dbraw/zinc/50/90/39/424509039.db2.gz HRVWSBSMWKCYGW-IVMMDQJWSA-N 2 0 287.407 1.330 10 0 CDAERP C(C1CCOCC1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000052174659 424514756 /nfs/dbraw/zinc/51/47/56/424514756.db2.gz GMNGTCHZFGBGDA-HUUCEWRRSA-N 2 0 252.402 1.877 10 0 CDAERP CO[C@H](C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C)[C@H]1CCOC1 ZINC000665235683 424469590 /nfs/dbraw/zinc/46/95/90/424469590.db2.gz YQSMAXQZHMKBCG-PVXIVEMSSA-N 2 0 293.411 1.551 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)c1conc1C(C)(C)[NH3+] ZINC000655482110 424478171 /nfs/dbraw/zinc/47/81/71/424478171.db2.gz PWWVCICJGBRQBG-UHFFFAOYSA-N 2 0 296.415 1.576 10 0 CDAERP [NH3+]C1(CNC(=O)C2([NH2+]C3CC3)CCC2)CCCC1 ZINC000662864042 424533566 /nfs/dbraw/zinc/53/35/66/424533566.db2.gz GWFFRYNVFBMFAJ-UHFFFAOYSA-N 2 0 251.374 1.049 10 0 CDAERP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)C[C@H]1C ZINC000418550418 276246226 /nfs/dbraw/zinc/24/62/26/276246226.db2.gz ANSGDDZWQUQCJB-RFQIPJPRSA-N 2 0 282.432 1.109 10 0 CDAERP CC[NH+](CC)CCC[N@@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000191479773 276324961 /nfs/dbraw/zinc/32/49/61/276324961.db2.gz MCJVKQRZAYPUBN-STQMWFEESA-N 2 0 255.406 1.304 10 0 CDAERP CCC[NH2+]CC[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001668234211 1173384974 /nfs/dbraw/zinc/38/49/74/1173384974.db2.gz GGKKAGRPGCJZCA-CYBMUJFWSA-N 2 0 269.433 1.613 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)[C@@H]2CCOC2)[C@H]2CCC[C@@H]21 ZINC000353589181 277171822 /nfs/dbraw/zinc/17/18/22/277171822.db2.gz PIKNKRANYHXOJA-SUJAAXHWSA-N 2 0 282.428 1.094 10 0 CDAERP COCC[N@@H+]1CCC[C@H]1CN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422702540 277223619 /nfs/dbraw/zinc/22/36/19/277223619.db2.gz KYVCVGQPOPBJIS-QLFBSQMISA-N 2 0 269.433 1.217 10 0 CDAERP COC(=O)CCC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420384392 277316307 /nfs/dbraw/zinc/31/63/07/277316307.db2.gz DQRPLSYLVGEAOU-OLZOCXBDSA-N 2 0 254.374 1.404 10 0 CDAERP CC(C)CC[C@@H](O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366536081 277360780 /nfs/dbraw/zinc/36/07/80/277360780.db2.gz QGFOAWYQLQHYEI-HUUCEWRRSA-N 2 0 254.418 1.811 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000334934298 278222696 /nfs/dbraw/zinc/22/26/96/278222696.db2.gz YJNOFIMNNVHOBC-NEPJUHHUSA-N 2 0 267.417 1.350 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000417790473 278222974 /nfs/dbraw/zinc/22/29/74/278222974.db2.gz HTHNXTVNCSJHQA-KBPBESRZSA-N 2 0 281.444 1.788 10 0 CDAERP C[C@@H]1C[N@H+](C)C[C@@H]1NCCC[NH+]1CCC(C)CC1 ZINC000343078273 288090629 /nfs/dbraw/zinc/09/06/29/288090629.db2.gz DNXVKZUSWFSFGX-CABCVRRESA-N 2 0 253.434 1.648 10 0 CDAERP CC[NH+](CC)CC(=O)N1CC[NH+](CC2(C)CCC2)CC1 ZINC000340287579 279087812 /nfs/dbraw/zinc/08/78/12/279087812.db2.gz VHLCPZOFWPUBCO-UHFFFAOYSA-N 2 0 281.444 1.663 10 0 CDAERP CC[N@H+](CCNC(=O)N[C@H]1C[NH+](C(C)C)C[C@H]1C)C1CC1 ZINC000247070390 279201914 /nfs/dbraw/zinc/20/19/14/279201914.db2.gz IVHXNANKVAWLEP-HIFRSBDPSA-N 2 0 296.459 1.499 10 0 CDAERP CC(C)[C@H](C(=O)N1CCC2(CC[NH2+]C2)CC1)[C@H](C)[NH3+] ZINC000335046116 280143403 /nfs/dbraw/zinc/14/34/03/280143403.db2.gz ZQCCFVIJBNRBAQ-STQMWFEESA-N 2 0 267.417 1.208 10 0 CDAERP C[C@H](CNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1)[NH+]1CCCC1 ZINC000515840630 280912466 /nfs/dbraw/zinc/91/24/66/280912466.db2.gz UZVOUSXAONORHX-DOMZBBRYSA-N 2 0 293.386 1.469 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1CC1CC[NH2+]CC1 ZINC000251927997 288298416 /nfs/dbraw/zinc/29/84/16/288298416.db2.gz YMNSIIVWYFXNDI-HIFRSBDPSA-N 2 0 251.418 1.545 10 0 CDAERP CC[NH+](CC)CCC[N@@H+]1CC2(CCOCC2)CC[C@@H]1CO ZINC000528644017 281264847 /nfs/dbraw/zinc/26/48/47/281264847.db2.gz INXGIWFZRNCQIF-MRXNPFEDSA-N 2 0 298.471 1.972 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262924700 288322506 /nfs/dbraw/zinc/32/25/06/288322506.db2.gz ZRZWKCNERXNILX-HTOAHKCRSA-N 2 0 265.401 1.021 10 0 CDAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCC(=O)N(C)C1 ZINC000093516663 289736094 /nfs/dbraw/zinc/73/60/94/289736094.db2.gz HAKZDXWMDOCETL-MGPQQGTHSA-N 2 0 267.417 1.508 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](C)Cn1cccn1 ZINC000548940470 289948155 /nfs/dbraw/zinc/94/81/55/289948155.db2.gz PYJUYUGLJRMFHQ-ZDUSSCGKSA-N 2 0 296.378 1.951 10 0 CDAERP C[C@H](O)CCC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000354742700 290070430 /nfs/dbraw/zinc/07/04/30/290070430.db2.gz YYCDESPMIIXXAT-BYNSBNAKSA-N 2 0 270.417 1.331 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCC(=O)NC(C)(C)C)[C@@H]2CCC[C@H]21 ZINC000353385079 290217351 /nfs/dbraw/zinc/21/73/51/290217351.db2.gz JNKWLTPCNVRUPU-MELADBBJSA-N 2 0 281.444 1.754 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C[NH3+])C2)[C@@H]2CCC[C@H]21 ZINC000423494000 290224594 /nfs/dbraw/zinc/22/45/94/290224594.db2.gz CKWMOBIDULUCEX-AIEDFZFUSA-N 3 0 251.418 1.576 10 0 CDAERP C[C@@H]1CN(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CCO1 ZINC000556869302 290312658 /nfs/dbraw/zinc/31/26/58/290312658.db2.gz GUGXJBRCENYIRN-QXSJWSMHSA-N 2 0 281.444 1.170 10 0 CDAERP CC[C@@H]([NH2+]C[C@@H]1CCCCN1CCO)C1CCOCC1 ZINC000560348553 293024584 /nfs/dbraw/zinc/02/45/84/293024584.db2.gz RVYFVHFODAZWEM-JKSUJKDBSA-N 2 0 284.444 1.628 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC000561225661 293066838 /nfs/dbraw/zinc/06/68/38/293066838.db2.gz NLGRLDLTCUIFJM-STQMWFEESA-N 2 0 255.406 1.175 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000568293882 294013508 /nfs/dbraw/zinc/01/35/08/294013508.db2.gz WLUPBFFPPHXCMU-JKXDFHQYSA-N 2 0 279.428 1.412 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NCc1ccc(C[NH3+])cc1 ZINC000568508131 294049148 /nfs/dbraw/zinc/04/91/48/294049148.db2.gz XSLSABTXNCQVTF-CYBMUJFWSA-N 2 0 292.427 1.675 10 0 CDAERP CCc1nncn1CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000570233184 294200639 /nfs/dbraw/zinc/20/06/39/294200639.db2.gz QKRUGGWXOXRCTD-MGPQQGTHSA-N 2 0 277.416 1.303 10 0 CDAERP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCCC[C@H](CCOC)C1 ZINC000570575543 294264915 /nfs/dbraw/zinc/26/49/15/294264915.db2.gz VEDAJMWQTUGLGL-ZIAGYGMSSA-N 2 0 258.406 1.095 10 0 CDAERP COCC[NH2+]C1CC[NH+](C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000570848334 294322690 /nfs/dbraw/zinc/32/26/90/294322690.db2.gz IALYUYWVYIIQOQ-KGLIPLIRSA-N 3 0 269.433 1.075 10 0 CDAERP C[C@@H]([NH2+]C[C@H]1CSc2ccccc2O1)C1C[NH2+]C1 ZINC000572644197 294665389 /nfs/dbraw/zinc/66/53/89/294665389.db2.gz XQJGXPKUBWHQGH-PWSUYJOCSA-N 2 0 264.394 1.737 10 0 CDAERP O=C(NC/C=C\C[NH2+]CCCF)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001668883687 1173476025 /nfs/dbraw/zinc/47/60/25/1173476025.db2.gz RTPGOMPBSCVLCT-VIOGHGGCSA-N 2 0 297.418 1.625 10 0 CDAERP CN(C[C@@H](O)C[NH2+]C1CCC(C[NH+](C)C)CC1)C1CC1 ZINC000574445327 295000271 /nfs/dbraw/zinc/00/02/71/295000271.db2.gz YYUGRZHIZKDPRS-XUJLQICISA-N 2 0 283.460 1.152 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC000262645737 295322248 /nfs/dbraw/zinc/32/22/48/295322248.db2.gz NSLPJWOPTRHQQA-QLFBSQMISA-N 2 0 279.428 1.448 10 0 CDAERP CCC[NH2+]C/C=C/CNC(=O)C[NH+]1CCC(C)CC1 ZINC001669107670 1173505464 /nfs/dbraw/zinc/50/54/64/1173505464.db2.gz NVOLJJKKKNMWEA-SNAWJCMRSA-N 2 0 267.417 1.390 10 0 CDAERP C[C@H]1C[NH2+]CC[C@@H]1NC1CC[NH+](C(C)(C)C)CC1 ZINC000261559163 300324603 /nfs/dbraw/zinc/32/46/03/300324603.db2.gz DMNGRHZUXSZANM-JSGCOSHPSA-N 2 0 253.434 1.837 10 0 CDAERP CCCC[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001669207367 1173517581 /nfs/dbraw/zinc/51/75/81/1173517581.db2.gz MFVJTNNFXCULFT-MVGZEHJDSA-N 2 0 281.444 1.923 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CC[C@@H](C)F)[NH+](C)C ZINC001669665433 1173583690 /nfs/dbraw/zinc/58/36/90/1173583690.db2.gz USOYLUUXBFFDJS-WOPDTQHZSA-N 2 0 261.385 1.169 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+]CC1=CCCCC1 ZINC001669707555 1173588184 /nfs/dbraw/zinc/58/81/84/1173588184.db2.gz CDGZUYISBGLMON-AWEZNQCLSA-N 2 0 281.444 1.923 10 0 CDAERP CN(CCC[NH2+]C/C=C\Cl)C(=O)C1([NH+](C)C)CCC1 ZINC001670123903 1173655470 /nfs/dbraw/zinc/65/54/70/1173655470.db2.gz FJWFMCUOEJVTBI-UITAMQMPSA-N 2 0 287.835 1.661 10 0 CDAERP Cc1cncn1CC(=O)N(C)CCC[NH2+]CC1CC(C)C1 ZINC001670178884 1173660034 /nfs/dbraw/zinc/66/00/34/1173660034.db2.gz ARUHVIYMLHUTNA-UHFFFAOYSA-N 2 0 292.427 1.676 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCNC(=O)c2ccccc2)C1 ZINC000563427330 316307812 /nfs/dbraw/zinc/30/78/12/316307812.db2.gz YPFIWYIMENLYMQ-ZIAGYGMSSA-N 2 0 261.369 1.276 10 0 CDAERP CCCC[C@@H](CCC)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000563806052 316373376 /nfs/dbraw/zinc/37/33/76/316373376.db2.gz NRNHZGXPYBJPDS-HZPDHXFCSA-N 2 0 285.476 1.543 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN[C@H]1CCC[NH2+][C@H]1C ZINC000564188485 316431327 /nfs/dbraw/zinc/43/13/27/316431327.db2.gz MPNLELQDHRGIOY-BBRMVZONSA-N 2 0 285.395 1.806 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])NC(=O)c1ccccc1OCC[NH+](C)C ZINC000566296090 316546167 /nfs/dbraw/zinc/54/61/67/316546167.db2.gz PBSCTFGZZOPKBS-QWHCGFSZSA-N 2 0 293.411 1.483 10 0 CDAERP CCC(CC)(C[NH3+])C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000577179208 317279907 /nfs/dbraw/zinc/27/99/07/317279907.db2.gz ROGTUPNXGLAZFB-UHFFFAOYSA-N 2 0 253.390 1.106 10 0 CDAERP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(-n2cncn2)c(F)c1 ZINC000577720440 317387619 /nfs/dbraw/zinc/38/76/19/317387619.db2.gz FSVAQOCJRPQUPZ-SMDDNHRTSA-N 2 0 289.358 1.494 10 0 CDAERP C[C@@H](CNC(=O)N(C)CCC[NH+](C)C)[N@@H+]1CCC[C@H](C)C1 ZINC000185373190 323388726 /nfs/dbraw/zinc/38/87/26/323388726.db2.gz MAMUJIIEAKSZQC-GJZGRUSLSA-N 2 0 298.475 1.700 10 0 CDAERP C[C@@H](CNC(=O)N(C)CCC[NH+](C)C)C[NH+]1CCCC1 ZINC000185550301 323391716 /nfs/dbraw/zinc/39/17/16/323391716.db2.gz LMUKBFSGTLXBHW-AWEZNQCLSA-N 2 0 284.448 1.311 10 0 CDAERP O=C(C[C@H]1CCC[NH2+]C1)N1CC[NH+](C2CCC2)CC1 ZINC000393184460 323830597 /nfs/dbraw/zinc/83/05/97/323830597.db2.gz NTDYZIBNLODCSY-CYBMUJFWSA-N 2 0 265.401 1.073 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC000578763166 324018501 /nfs/dbraw/zinc/01/85/01/324018501.db2.gz OCETYSBFRPWKOO-ZMSDIMECSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H]([NH3+])C1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000579004965 324080870 /nfs/dbraw/zinc/08/08/70/324080870.db2.gz WXCWZRGKUKONSU-DZGCQCFKSA-N 2 0 281.444 1.837 10 0 CDAERP C[C@@H]([NH3+])C1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000579004966 324081004 /nfs/dbraw/zinc/08/10/04/324081004.db2.gz WXCWZRGKUKONSU-HIFRSBDPSA-N 2 0 281.444 1.837 10 0 CDAERP CC[C@@H]1C[N@H+](CC)CCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC000579978647 324337254 /nfs/dbraw/zinc/33/72/54/324337254.db2.gz YJHPMKSROKSBGK-UONOGXRCSA-N 2 0 267.417 1.271 10 0 CDAERP CC(C)OC[C@@H](O)C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000583139851 325113860 /nfs/dbraw/zinc/11/38/60/325113860.db2.gz DKIODCSYKZSFIV-HNNXBMFYSA-N 2 0 270.417 1.236 10 0 CDAERP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H](c2cnn[nH]2)c2ccc(F)cc2)C1 ZINC000583687693 325221119 /nfs/dbraw/zinc/22/11/19/325221119.db2.gz IUGILTXZEMOXJA-RIEGTJTDSA-N 2 0 289.358 1.750 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000583811412 325244937 /nfs/dbraw/zinc/24/49/37/325244937.db2.gz ZMKAJHKSQWOFHZ-ZNMIVQPWSA-N 2 0 281.444 1.885 10 0 CDAERP Cc1ncccc1C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001267354382 1159293966 /nfs/dbraw/zinc/29/39/66/1159293966.db2.gz LAKNGYYDKSGJLR-HNNXBMFYSA-N 2 0 290.411 1.032 10 0 CDAERP CN(CC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)C(=O)CC[NH+](C)C ZINC001691461637 1159322982 /nfs/dbraw/zinc/32/29/82/1159322982.db2.gz KKTCZIUFSHWAHN-QLFBSQMISA-N 2 0 281.444 1.422 10 0 CDAERP CC(C)[NH2+][C@@H](C)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001700400362 1176906070 /nfs/dbraw/zinc/90/60/70/1176906070.db2.gz LXILDPMHDONHPW-RYUDHWBXSA-N 2 0 255.406 1.362 10 0 CDAERP CC(C)CC[NH2+]C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001671383222 1160156440 /nfs/dbraw/zinc/15/64/40/1160156440.db2.gz AEUWDAPSLXRAHG-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)CC2([NH3+])CC2)CC1 ZINC000398030367 482216517 /nfs/dbraw/zinc/21/65/17/482216517.db2.gz COTTUOMUPPHQCL-UHFFFAOYSA-N 2 0 253.390 1.249 10 0 CDAERP COc1ccnc(CN2CCC[C@]3(CC[NH2+]C3)C2)c1OC ZINC000662276592 482236871 /nfs/dbraw/zinc/23/68/71/482236871.db2.gz KQSAMOAJUDLMQX-MRXNPFEDSA-N 2 0 291.395 1.674 10 0 CDAERP C[NH+](C)CCn1cc(NC(=O)c2ccc3c[nH+]cn3c2)cn1 ZINC000670779855 482302260 /nfs/dbraw/zinc/30/22/60/482302260.db2.gz KXZQIJPHJZBKIG-UHFFFAOYSA-N 2 0 298.350 1.345 10 0 CDAERP C[NH+](C)C[C@H](NC(=O)CC[NH2+]C1CC1)c1ccccc1 ZINC000040809222 482349556 /nfs/dbraw/zinc/34/95/56/482349556.db2.gz HILPDMOROJBTMY-HNNXBMFYSA-N 2 0 275.396 1.548 10 0 CDAERP O=C(N1CC[C@@H]([NH+]2CCCC2)C1)C1([NH2+]C2CC2)CCC1 ZINC000662708219 482423737 /nfs/dbraw/zinc/42/37/37/482423737.db2.gz KIIFNRYDMCWEHN-CQSZACIVSA-N 2 0 277.412 1.358 10 0 CDAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CCCO2)[C@H](C)C1 ZINC000153088272 482461526 /nfs/dbraw/zinc/46/15/26/482461526.db2.gz KEOJBYYGMAALLS-OWCLPIDISA-N 2 0 284.444 1.892 10 0 CDAERP c1cc(C[NH+]2CCC(C[NH2+]C3CSC3)CC2)ccn1 ZINC000668513704 482466847 /nfs/dbraw/zinc/46/68/47/482466847.db2.gz WAYIRHXUACTBKT-UHFFFAOYSA-N 2 0 277.437 1.999 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)NC/C=C\C[NH3+])c1ccccc1 ZINC000668562751 482478135 /nfs/dbraw/zinc/47/81/35/482478135.db2.gz ZCWGHHWOHYEAIQ-AFNCTOJWSA-N 2 0 276.384 1.103 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000417282842 482578449 /nfs/dbraw/zinc/57/84/49/482578449.db2.gz BMHZEULDJJJOEQ-AGIUHOORSA-N 2 0 270.421 1.014 10 0 CDAERP O[C@H]1CCCC[C@H]1[NH+]1CCC(NCc2cn[nH]c2)CC1 ZINC000676045533 482626507 /nfs/dbraw/zinc/62/65/07/482626507.db2.gz MDKJNVJVQDRSRX-CABCVRRESA-N 2 0 278.400 1.267 10 0 CDAERP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000227881377 482747919 /nfs/dbraw/zinc/74/79/19/482747919.db2.gz YKXRLEZNGKWQMK-MJBXVCDLSA-N 2 0 265.401 1.071 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)CC1([NH3+])CCC1 ZINC000094293657 482773405 /nfs/dbraw/zinc/77/34/05/482773405.db2.gz TYJGYTQROGUNNK-LBPRGKRZSA-N 2 0 255.406 1.350 10 0 CDAERP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000094648355 482800443 /nfs/dbraw/zinc/80/04/43/482800443.db2.gz YKXRLEZNGKWQMK-IHRRRGAJSA-N 2 0 265.401 1.071 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000673703347 482822518 /nfs/dbraw/zinc/82/25/18/482822518.db2.gz OUJZKITWFYSZCI-LSDHHAIUSA-N 2 0 294.443 1.208 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000389571511 482837710 /nfs/dbraw/zinc/83/77/10/482837710.db2.gz IRHABXJLNGCYEY-XQLPTFJDSA-N 2 0 279.428 1.508 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000250599725 483020747 /nfs/dbraw/zinc/02/07/47/483020747.db2.gz JSMOELBZDZXAEU-RQJABVFESA-N 2 0 265.401 1.118 10 0 CDAERP CC[N@H+](C)Cc1cccc(CNC(=O)NC/C=C/C[NH3+])c1 ZINC000669427130 483038464 /nfs/dbraw/zinc/03/84/64/483038464.db2.gz LQXKHEYYXJICKY-SNAWJCMRSA-N 2 0 290.411 1.452 10 0 CDAERP OCCC[NH+]1CCN(c2cc[nH+]c3c(O)cccc23)CC1 ZINC000682239149 483184954 /nfs/dbraw/zinc/18/49/54/483184954.db2.gz YSRRTNSRDOPIMG-UHFFFAOYSA-N 2 0 287.363 1.445 10 0 CDAERP COc1cc(C)c(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c(C)n1 ZINC000666952386 483215293 /nfs/dbraw/zinc/21/52/93/483215293.db2.gz UUVQESXHAPIDOX-CQSZACIVSA-N 2 0 275.396 1.939 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000136392399 483400956 /nfs/dbraw/zinc/40/09/56/483400956.db2.gz LVPCTNYJLOVVDG-CHWSQXEVSA-N 2 0 253.390 1.057 10 0 CDAERP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667853429 483460601 /nfs/dbraw/zinc/46/06/01/483460601.db2.gz BHDLDUHXXZVAEC-SJORKVTESA-N 2 0 295.471 1.417 10 0 CDAERP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000680356666 483593165 /nfs/dbraw/zinc/59/31/65/483593165.db2.gz OCPLASUNUBVIFI-LBPRGKRZSA-N 2 0 295.431 1.550 10 0 CDAERP CC(C)[N@H+](C)CCN(C)C(=O)CCCC[NH+](C)C ZINC001272151985 1160660685 /nfs/dbraw/zinc/66/06/85/1160660685.db2.gz KQRHEMMRYLPRKV-UHFFFAOYSA-N 2 0 257.422 1.517 10 0 CDAERP CC[NH2+]CCCCC[N@H+](CCOC)[C@H](C)COC ZINC000052572412 519919078 /nfs/dbraw/zinc/91/90/78/519919078.db2.gz FEHSZHSZJHNNHJ-CQSZACIVSA-N 2 0 260.422 1.750 10 0 CDAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+](C)CCCF ZINC001485349576 1161276332 /nfs/dbraw/zinc/27/63/32/1161276332.db2.gz HYURTDNYDURXRF-OLZOCXBDSA-N 2 0 273.396 1.124 10 0 CDAERP CCCc1nc(N2CCC[N@H+](C)CC2)sc1C[NH3+] ZINC000054968946 521532374 /nfs/dbraw/zinc/53/23/74/521532374.db2.gz WLLCPQZEDBFSMH-UHFFFAOYSA-N 2 0 268.430 1.696 10 0 CDAERP CCC[N@H+](C)CCN(C(=O)[C@@H]1CC[NH+](C)C1)C(C)C ZINC001486379891 1161453721 /nfs/dbraw/zinc/45/37/21/1161453721.db2.gz SDAMDTGPWUWDKV-CQSZACIVSA-N 2 0 269.433 1.517 10 0 CDAERP C[NH2+]CCCCC[N@@H+]1CC[C@@H](N2CCCCC2)C1 ZINC000062973700 521995835 /nfs/dbraw/zinc/99/58/35/521995835.db2.gz ATJMCZIWAKLMTN-OAHLLOKOSA-N 2 0 253.434 1.936 10 0 CDAERP C(C[NH2+][C@H]1CCN(C2CC2)C1)C[C@H]1CCCC[NH2+]1 ZINC000050954010 518393235 /nfs/dbraw/zinc/39/32/35/518393235.db2.gz RYVWXKBRXBBPEG-KGLIPLIRSA-N 2 0 251.418 1.735 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)[C@@H]1CCC[C@@H](C[NH3+])C1 ZINC000055161476 519715523 /nfs/dbraw/zinc/71/55/23/519715523.db2.gz OVAPPYSUMWSFPX-HUUCEWRRSA-N 2 0 283.460 1.798 10 0 CDAERP CC(C)[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)C2CCN(C)CC2)O1 ZINC000052419919 519725090 /nfs/dbraw/zinc/72/50/90/519725090.db2.gz KPOSKHSDXNMOLQ-CVEARBPZSA-N 2 0 283.460 1.558 10 0 CDAERP CC(C)C[NH+]1CCN(C2(C[NH3+])Cc3ccccc3C2)CC1 ZINC000055077921 519725408 /nfs/dbraw/zinc/72/54/08/519725408.db2.gz XHIQHEPLBYOKDI-UHFFFAOYSA-N 2 0 287.451 1.756 10 0 CDAERP CC(C)C[NH+]1CCN(C2(C[NH3+])CC[NH+](C(C)C)CC2)CC1 ZINC000055078314 519725551 /nfs/dbraw/zinc/72/55/51/519725551.db2.gz XHZLEEGMNXXLMO-UHFFFAOYSA-N 3 0 296.503 1.462 10 0 CDAERP CC(C)C[NH+]1CCN(CC2(C[NH3+])CCOCC2)CC1 ZINC000055082229 519725771 /nfs/dbraw/zinc/72/57/71/519725771.db2.gz FGSBTUHRYRPZDF-UHFFFAOYSA-N 2 0 269.433 1.016 10 0 CDAERP CC(C)[NH2+]Cc1ccc(N2CCC[C@@H]2C[NH+](C)C)nn1 ZINC000061654241 519726832 /nfs/dbraw/zinc/72/68/32/519726832.db2.gz PIRFDRPJWQLFEW-CQSZACIVSA-N 2 0 277.416 1.505 10 0 CDAERP CC(C)C[NH+]1CCN([C@H](C)C[NH2+]C[C@H]2CCCO2)CC1 ZINC000055075647 519728061 /nfs/dbraw/zinc/72/80/61/519728061.db2.gz UEDCYGOYFUBZDO-HZPDHXFCSA-N 2 0 283.460 1.417 10 0 CDAERP CC(C)C[NH+]1CCN([C@H]2COc3ccccc3[C@H]2[NH3+])CC1 ZINC000055078884 519728679 /nfs/dbraw/zinc/72/86/79/519728679.db2.gz OQCDPCCNBPYAAK-DOTOQJQBSA-N 2 0 289.423 1.721 10 0 CDAERP CC(C)C[NH+]1CCN(c2ncc(C[NH3+])s2)CC1 ZINC000055076382 519728922 /nfs/dbraw/zinc/72/89/22/519728922.db2.gz FBRDVRBOKFMOBJ-UHFFFAOYSA-N 2 0 254.403 1.380 10 0 CDAERP CC(C)[C@@](C)(C[NH3+])N1CC[NH+](C2CCCC2)CC1 ZINC000052060671 519807823 /nfs/dbraw/zinc/80/78/23/519807823.db2.gz JYULXBPPQCZNKP-OAHLLOKOSA-N 2 0 253.434 1.920 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@H]2CCC[C@@H]([NH3+])[C@@H]2C)CC1 ZINC000055141534 519846216 /nfs/dbraw/zinc/84/62/16/519846216.db2.gz KKGFNULSFYGRFS-VHDGCEQUSA-N 2 0 281.444 1.741 10 0 CDAERP CCC[NH+]1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000055124605 519856613 /nfs/dbraw/zinc/85/66/13/519856613.db2.gz ZKUTYSVGRWYETF-MJBXVCDLSA-N 2 0 267.417 1.304 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000061296922 519905120 /nfs/dbraw/zinc/90/51/20/519905120.db2.gz GOSNWBMGMUVXEY-YHWZYXNKSA-N 2 0 267.417 1.364 10 0 CDAERP CCC[NH2+]CC1(C[N@H+](C)[C@H](C)COC)CCOCC1 ZINC000052182473 519909950 /nfs/dbraw/zinc/90/99/50/519909950.db2.gz UDVHZNCJJBSNCX-CQSZACIVSA-N 2 0 272.433 1.750 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000061267098 519934170 /nfs/dbraw/zinc/93/41/70/519934170.db2.gz GNDUSASLYGVAFT-LLVKDONJSA-N 2 0 269.433 1.657 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@H](C[N@@H+]2C[C@H](C)OC[C@@H]2C)O1 ZINC000052476684 519955471 /nfs/dbraw/zinc/95/54/71/519955471.db2.gz SYSQHUXDQSUZES-XDQVBPFNSA-N 2 0 256.390 1.253 10 0 CDAERP CC[NH2+]C[C@H](c1ccccc1)N1CCC[N@H+](C)CC1 ZINC000052424427 519975214 /nfs/dbraw/zinc/97/52/14/519975214.db2.gz GIVUMGAMSLNSBW-MRXNPFEDSA-N 2 0 261.413 1.975 10 0 CDAERP CC[NH2+]Cc1cccc(N(C)C2CC[NH+](C)CC2)n1 ZINC000051434755 520003349 /nfs/dbraw/zinc/00/33/49/520003349.db2.gz SADCQAHWENWIKK-UHFFFAOYSA-N 2 0 262.401 1.722 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000061272793 520061833 /nfs/dbraw/zinc/06/18/33/520061833.db2.gz OYXSTGYPZKJYTG-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000061273741 520165789 /nfs/dbraw/zinc/16/57/89/520165789.db2.gz OBJSNWBHYDEWDH-OLZOCXBDSA-N 2 0 257.422 1.467 10 0 CDAERP CC[NH2+][C@H]1CCOC[C@H]1N1CC[NH+](CC(C)C)CC1 ZINC000055079183 520217997 /nfs/dbraw/zinc/21/79/97/520217997.db2.gz FJEMTRXICXGEAB-LSDHHAIUSA-N 2 0 269.433 1.027 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)c1ccc(C[NH3+])cc1 ZINC000045663178 520733184 /nfs/dbraw/zinc/73/31/84/520733184.db2.gz BQMOLJJTHDLWEP-LBPRGKRZSA-N 2 0 263.385 1.605 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(c2ccnc(C[NH2+]C)c2)C1 ZINC000062971282 520876705 /nfs/dbraw/zinc/87/67/05/520876705.db2.gz WGKBDIAVHPWBCH-HNNXBMFYSA-N 2 0 262.401 1.722 10 0 CDAERP CCC[C@@]1(C(=O)NCC[NH+]2CCCC2)CCC[NH2+]C1 ZINC000062853735 520943248 /nfs/dbraw/zinc/94/32/48/520943248.db2.gz DFUZWNMGPCEGSC-OAHLLOKOSA-N 2 0 267.417 1.368 10 0 CDAERP CC[N@H+](CCCn1ccnc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000049328869 521042520 /nfs/dbraw/zinc/04/25/20/521042520.db2.gz SSZGRHWPWPVUEI-YIONKMFJSA-N 2 0 262.401 1.878 10 0 CDAERP CC[N@H+](CCn1cc(C[NH2+]CC(C)C)nn1)[C@@H](C)COC ZINC000052504879 521184298 /nfs/dbraw/zinc/18/42/98/521184298.db2.gz FGTDBVXKRWVVPS-AWEZNQCLSA-N 2 0 297.447 1.381 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@@H](C)[C@@H]2[NH3+])CC1 ZINC000055140052 521549706 /nfs/dbraw/zinc/54/97/06/521549706.db2.gz SVMROQLMHIMAQY-YUELXQCFSA-N 2 0 281.444 1.598 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@H]2CCC[C@H](C[NH3+])C2)CC1 ZINC000055162827 521551673 /nfs/dbraw/zinc/55/16/73/521551673.db2.gz BUESEWWJPFOLMC-GJZGRUSLSA-N 2 0 281.444 1.600 10 0 CDAERP CCC(CC)[C@H](CNC(=O)[C@H]1CC12CC[NH2+]CC2)[NH+](C)C ZINC000070255306 521616951 /nfs/dbraw/zinc/61/69/51/521616951.db2.gz OCSIRCYKAMLNNR-CABCVRRESA-N 2 0 295.471 1.859 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000052521006 521618853 /nfs/dbraw/zinc/61/88/53/521618853.db2.gz OMNYUZSMQSKJGP-CQSZACIVSA-N 2 0 294.443 1.397 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)C2CCC(C[NH3+])CC2)C1 ZINC000055162086 521643670 /nfs/dbraw/zinc/64/36/70/521643670.db2.gz OTFSDXFFDWBRCZ-RUXDESIVSA-N 2 0 267.417 1.352 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055123810 521654803 /nfs/dbraw/zinc/65/48/03/521654803.db2.gz ZDAATERCRAQVID-IHRRRGAJSA-N 2 0 267.417 1.495 10 0 CDAERP CC[NH+]1CCN(CC2(C[NH2+]CC(C)C)CCOCC2)CC1 ZINC000052180622 521678076 /nfs/dbraw/zinc/67/80/76/521678076.db2.gz SGDCYOILDWYUQW-UHFFFAOYSA-N 2 0 297.487 1.666 10 0 CDAERP C[NH+](C)CCOC[C@@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1 ZINC000052669877 521794511 /nfs/dbraw/zinc/79/45/11/521794511.db2.gz MJJRPJYQJDYXTG-STQMWFEESA-N 2 0 258.406 1.500 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1[C@@H](C[NH3+])c1ccc(F)cc1F ZINC000061642912 521843428 /nfs/dbraw/zinc/84/34/28/521843428.db2.gz TTZGWWHBQUXCKO-WFASDCNBSA-N 2 0 283.366 1.991 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1c1nc2c(cc1C[NH3+])CCC2 ZINC000061641605 521875803 /nfs/dbraw/zinc/87/58/03/521875803.db2.gz LTQPCICWNXNCDC-CQSZACIVSA-N 2 0 274.412 1.559 10 0 CDAERP C[NH2+]C(C)(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000061300919 521938243 /nfs/dbraw/zinc/93/82/43/521938243.db2.gz GWKFHBRRCXSYCC-CQSZACIVSA-N 2 0 275.396 1.375 10 0 CDAERP C[NH2+]C(C)(C)CN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000061319441 521945547 /nfs/dbraw/zinc/94/55/47/521945547.db2.gz MXDXKPWJNHPRFK-OAHLLOKOSA-N 2 0 261.413 1.973 10 0 CDAERP C[NH2+]CC1(C[NH+]2CCC(C[NH+](C)C)CC2)CCOCC1 ZINC000052182724 521970598 /nfs/dbraw/zinc/97/05/98/521970598.db2.gz KYFJXWGTHMZSJJ-UHFFFAOYSA-N 3 0 283.460 1.276 10 0 CDAERP C[NH2+]Cc1cc(CN2CC[NH+](C3CCCC3)CC2)on1 ZINC000052573503 522107055 /nfs/dbraw/zinc/10/70/55/522107055.db2.gz OGYVDDCVXGFOHI-UHFFFAOYSA-N 2 0 278.400 1.454 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(CCC[C@](C)([NH3+])C(=O)OC)CC1 ZINC000055070204 522121951 /nfs/dbraw/zinc/12/19/51/522121951.db2.gz ICSFALQXUSWMEN-HIFRSBDPSA-N 2 0 285.432 1.073 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(Cc2cccnc2C(N)=[NH2+])CC1 ZINC000061658415 522127020 /nfs/dbraw/zinc/12/70/20/522127020.db2.gz WNUYRHOVEXZLKJ-GFCCVEGCSA-N 2 0 275.400 1.282 10 0 CDAERP CC[C@@H](C)[NH+]1CCN([C@H](C)CC[NH2+]C2CC2)CC1 ZINC000055074868 522131271 /nfs/dbraw/zinc/13/12/71/522131271.db2.gz AWYBGKQVUREIRS-ZIAGYGMSSA-N 2 0 253.434 1.933 10 0 CDAERP C[NH2+][C@H]1CCCCC[C@H]1N1CCC[C@@H]1C[NH+](C)C ZINC000061643417 522490478 /nfs/dbraw/zinc/49/04/78/522490478.db2.gz BGTIDMKRVFPXHD-QLFBSQMISA-N 2 0 253.434 1.933 10 0 CDAERP COCCC[N@H+](CCOC)C[C@@H](C)C[NH2+]C(C)(C)C ZINC000052543221 523254201 /nfs/dbraw/zinc/25/42/01/523254201.db2.gz CPUIMHBPOSOFCK-AWEZNQCLSA-N 2 0 274.449 1.996 10 0 CDAERP CC[C@@H]1CC[C@H]([NH3+])[C@H](N(C)C2CC[NH+](C)CC2)C1 ZINC000052684828 523368263 /nfs/dbraw/zinc/36/82/63/523368263.db2.gz ZRTWJAPWFKCKRL-VHDGCEQUSA-N 2 0 253.434 1.918 10 0 CDAERP C[N@@H+]1CCCN(Cc2ccoc2C[NH2+]C2CC2)CC1 ZINC000052424223 523810549 /nfs/dbraw/zinc/81/05/49/523810549.db2.gz UCKQNKGYDFQYPH-UHFFFAOYSA-N 2 0 263.385 1.669 10 0 CDAERP CC[C@H](C)[NH+]1CCN([C@@](C)(C[NH3+])CCOC)CC1 ZINC000055064442 523958197 /nfs/dbraw/zinc/95/81/97/523958197.db2.gz UWHPQGALDFQFAK-UONOGXRCSA-N 2 0 257.422 1.156 10 0 CDAERP C[NH+](C)CCCOc1ccc(Cl)cc1C(N)=[NH2+] ZINC000052860380 524058235 /nfs/dbraw/zinc/05/82/35/524058235.db2.gz NIFQTRMQDSRKAD-UHFFFAOYSA-N 2 0 255.749 1.955 10 0 CDAERP C[C@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)NCCCC[NH+](C)C ZINC000055138980 524145477 /nfs/dbraw/zinc/14/54/77/524145477.db2.gz VVURGLDYXJHJJV-YNEHKIRRSA-N 2 0 255.406 1.208 10 0 CDAERP C[C@H]1CC[C@@H](C(=O)N(C)C2CC[NH+](C)CC2)C[C@@H]1[NH3+] ZINC000055123247 524328286 /nfs/dbraw/zinc/32/82/86/524328286.db2.gz DOVKLEFTIMNWRZ-SCRDCRAPSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@H](C[NH2+]C(C)(C)C)CN1CCN(CC[NH+](C)C)CC1 ZINC000061655007 524476170 /nfs/dbraw/zinc/47/61/70/524476170.db2.gz ZGPVBAPFBBZAPD-OAHLLOKOSA-N 2 0 284.492 1.190 10 0 CDAERP C[C@@H]1CC[C@@H](C(=O)NC[C@@H]2CCC[N@H+](C)C2)C[C@@H]1[NH3+] ZINC000055138483 524559449 /nfs/dbraw/zinc/55/94/49/524559449.db2.gz RYXGBURVWSXNCQ-RQJABVFESA-N 2 0 267.417 1.208 10 0 CDAERP C[C@@H]1CC[C@H](C(=O)N2CC[NH+](C3CCCC3)CC2)C[NH2+]1 ZINC000052063206 524630135 /nfs/dbraw/zinc/63/01/35/524630135.db2.gz NKBSSWWSLBWLMK-KGLIPLIRSA-N 2 0 279.428 1.461 10 0 CDAERP Cc1cc(CN2CCC([NH+](C)C)CC2)oc1C[NH3+] ZINC000052477693 524676920 /nfs/dbraw/zinc/67/69/20/524676920.db2.gz XXXXABQWFTZAMW-UHFFFAOYSA-N 2 0 251.374 1.573 10 0 CDAERP C[C@@H](CNCC(F)(F)F)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000063124294 524735808 /nfs/dbraw/zinc/73/58/08/524735808.db2.gz HFIRZQRPCMXIQK-NSHDSACASA-N 2 0 281.366 1.800 10 0 CDAERP Cc1ccc(F)cc1C(=O)N1CC[NH+](CCCC[NH3+])CC1 ZINC000062664165 524842139 /nfs/dbraw/zinc/84/21/39/524842139.db2.gz HHWXPNMOEFKWAJ-UHFFFAOYSA-N 2 0 293.386 1.631 10 0 CDAERP C[C@@H]([NH3+])[C@@H](N(C)CC[NH+]1CCCC1)C(F)(F)F ZINC000063050983 525004684 /nfs/dbraw/zinc/00/46/84/525004684.db2.gz XIMKWWUPJJMPIL-NXEZZACHSA-N 2 0 253.312 1.292 10 0 CDAERP C[C@@H]([NH3+])c1cnc(N2CC[NH+](CC3CC3)CC2)s1 ZINC000054898786 525031779 /nfs/dbraw/zinc/03/17/79/525031779.db2.gz PDCJBRGUGICHAN-SNVBAGLBSA-N 2 0 266.414 1.695 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCC[C@@H]1C(=O)NCC(C)(C)C[NH+](C)C ZINC000055125297 525086650 /nfs/dbraw/zinc/08/66/50/525086650.db2.gz HMWNCRQOIGJOFX-AGIUHOORSA-N 2 0 269.433 1.454 10 0 CDAERP C[C@@H]1[C@@H]([NH3+])CCC[C@@H]1C(=O)NCC(C)(C)[NH+](C)C ZINC000055141706 525664670 /nfs/dbraw/zinc/66/46/70/525664670.db2.gz RRLIHOVBOJTLOP-SRVKXCTJSA-N 2 0 255.406 1.206 10 0 CDAERP Cc1ccc([C@H](C[NH3+])N2CCN(CC[NH+](C)C)CC2)cc1 ZINC000061642355 525952177 /nfs/dbraw/zinc/95/21/77/525952177.db2.gz RJLFRZDEWYGNQS-KRWDZBQOSA-N 2 0 290.455 1.174 10 0 CDAERP [NH3+]CCCCC[N@@H+]1CCCN(C(=O)[C@H]2CCCCO2)CC1 ZINC000050958389 527174100 /nfs/dbraw/zinc/17/41/00/527174100.db2.gz ZSYFSKUKAGKKNL-OAHLLOKOSA-N 2 0 297.443 1.219 10 0 CDAERP Cc1nccc(N2CCC[N@H+](CCCCC[NH3+])CC2)n1 ZINC000054935429 527343466 /nfs/dbraw/zinc/34/34/66/527343466.db2.gz BFAHONMRMGSFDE-UHFFFAOYSA-N 2 0 277.416 1.426 10 0 CDAERP [NH3+][C@H](CC[N@@H+]1CC[C@H](O)C1)c1cccc(Br)c1 ZINC000061712030 527385942 /nfs/dbraw/zinc/38/59/42/527385942.db2.gz LEFHIAUIYQPTQT-QWHCGFSZSA-N 2 0 299.212 1.906 10 0 CDAERP [NH3+][C@H]1CCC[C@H](C(=O)NCC[NH+]2CCCCC2)C1 ZINC000055089903 527406186 /nfs/dbraw/zinc/40/61/86/527406186.db2.gz ISEXKUQBOSPSBE-STQMWFEESA-N 2 0 253.390 1.106 10 0 CDAERP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261608435 535518965 /nfs/dbraw/zinc/51/89/65/535518965.db2.gz AWXFTZJKQNIQME-HIFRSBDPSA-N 2 0 299.459 1.367 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+][C@H](C)[C@H]2C[C@@H]2C)CC1 ZINC000414052987 535698820 /nfs/dbraw/zinc/69/88/20/535698820.db2.gz AFVDPHWPBKUGIZ-ZNMIVQPWSA-N 2 0 253.434 1.648 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)C[C@H]1CC[NH2+]C1)c1cccs1 ZINC000089746640 536127507 /nfs/dbraw/zinc/12/75/07/536127507.db2.gz CGLRFQYVUCOXPZ-NEPJUHHUSA-N 2 0 281.425 1.467 10 0 CDAERP C[NH2+]CCc1ccccc1C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000422534172 536447130 /nfs/dbraw/zinc/44/71/30/536447130.db2.gz ACWHAROZLHHUGI-IUODEOHRSA-N 2 0 275.396 1.176 10 0 CDAERP c1cc(CN2CC[NH+](C3CC3)CC2)c2c(c1)C[NH2+]CC2 ZINC000123926660 545500406 /nfs/dbraw/zinc/50/04/06/545500406.db2.gz JOZPLCQFLQFNQT-UHFFFAOYSA-N 2 0 271.408 1.612 10 0 CDAERP CON(C)C(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000774767791 575238921 /nfs/dbraw/zinc/23/89/21/575238921.db2.gz SWKUWOGPZGUWEK-UHFFFAOYSA-N 2 0 271.405 1.060 10 0 CDAERP C[NH+](C)CCNC(=S)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000730736425 575002599 /nfs/dbraw/zinc/00/25/99/575002599.db2.gz TVKVAZLYMPLJLT-AWEZNQCLSA-N 2 0 298.500 1.373 10 0 CDAERP CCN(CCc1nccs1)C[C@H](O)C[NH+]1CCCC1 ZINC000754369937 575016781 /nfs/dbraw/zinc/01/67/81/575016781.db2.gz XVTBEBBJHJIDLI-ZDUSSCGKSA-N 2 0 283.441 1.464 10 0 CDAERP C[NH+](C)C1CCN(C(=S)NCC2CC[NH+](C)CC2)CC1 ZINC000760467559 576486015 /nfs/dbraw/zinc/48/60/15/576486015.db2.gz GXCLNWQJFHJQNP-UHFFFAOYSA-N 2 0 298.500 1.229 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCC2OCCCO2)[C@@H](C)C1 ZINC000754660129 576908160 /nfs/dbraw/zinc/90/81/60/576908160.db2.gz QJGSBHLQZZYINF-UONOGXRCSA-N 2 0 270.417 1.802 10 0 CDAERP C[NH+](C)C1(C(=O)NCCC[N@H+](C)CCCF)CCC1 ZINC001689807496 1175264683 /nfs/dbraw/zinc/26/46/83/1175264683.db2.gz XNRDYFCLLHCFQD-UHFFFAOYSA-N 2 0 273.396 1.268 10 0 CDAERP CCOCC[C@H](O)C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000872228270 620700463 /nfs/dbraw/zinc/70/04/63/620700463.db2.gz GRKJBOOJLUTTMJ-SLTAFYQDSA-N 2 0 272.433 1.626 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925510146 617405756 /nfs/dbraw/zinc/40/57/56/617405756.db2.gz SRGXRBASDAEXEU-BFHYXJOUSA-N 2 0 253.434 1.966 10 0 CDAERP C[NH+](C)C1(CN[C@@H]2CC[NH2+]C23CCC3)Cc2ccccc2C1 ZINC000925521575 617434240 /nfs/dbraw/zinc/43/42/40/617434240.db2.gz NUSMWYRWGVAGSV-QGZVFWFLSA-N 2 0 299.462 1.960 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1COc2ccccc2O1 ZINC000924555462 617453742 /nfs/dbraw/zinc/45/37/42/617453742.db2.gz XHULDCBWRMLYJT-QYCFJQJSSA-N 2 0 288.391 1.756 10 0 CDAERP OCCC1(C[NH2+][C@H]2CC[NH2+]C23CCC3)CCCC1 ZINC000925527653 617454689 /nfs/dbraw/zinc/45/46/89/617454689.db2.gz PIGBBVRFCZKHEM-ZDUSSCGKSA-N 2 0 252.402 1.803 10 0 CDAERP Cc1noc(C)c1CCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925541306 617483272 /nfs/dbraw/zinc/48/32/72/617483272.db2.gz KPNREMDBCMYQBH-FHXAZYNBSA-N 2 0 275.396 1.810 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1ccc2c(c1)OCO2 ZINC000924575839 617500441 /nfs/dbraw/zinc/50/04/41/617500441.db2.gz NXUKXRDGUNJAJM-VMZNBEPHSA-N 2 0 288.391 1.888 10 0 CDAERP CCC(=O)N1CC[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925560534 617511430 /nfs/dbraw/zinc/51/14/30/617511430.db2.gz MSJYFMVNQOLFLE-FRRDWIJNSA-N 2 0 267.417 1.493 10 0 CDAERP Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)CC2 ZINC000925575358 617523118 /nfs/dbraw/zinc/52/31/18/617523118.db2.gz FTBWFJVLZXEFPK-YNEHKIRRSA-N 2 0 277.416 1.397 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@H](O)C2CCOCC2)C1 ZINC000925619603 617565538 /nfs/dbraw/zinc/56/55/38/617565538.db2.gz PMRPNTASEMIODK-MCIONIFRSA-N 2 0 270.417 1.270 10 0 CDAERP OCCOCCC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925631514 617577351 /nfs/dbraw/zinc/57/73/51/617577351.db2.gz HOSMNUODFVTLIJ-GJZGRUSLSA-N 2 0 270.417 1.143 10 0 CDAERP COCC1(CC[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000925706877 617793245 /nfs/dbraw/zinc/79/32/45/617793245.db2.gz ONTYXIFEFIZBBT-YHQUGGNUSA-N 2 0 250.386 1.389 10 0 CDAERP C[NH+](C)CCOCC[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1 ZINC000926252913 617633187 /nfs/dbraw/zinc/63/31/87/617633187.db2.gz FLZFFYOEZAVUFK-CABCVRRESA-N 2 0 270.417 1.359 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000925786797 617710907 /nfs/dbraw/zinc/71/09/07/617710907.db2.gz VCGNVMXJIMARBN-ITGHMWBKSA-N 2 0 252.402 1.635 10 0 CDAERP CC[C@H](C)[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925806780 617747397 /nfs/dbraw/zinc/74/73/97/617747397.db2.gz AQLUBJLFYRPJSS-AWEZNQCLSA-N 2 0 261.413 1.980 10 0 CDAERP CC(C)O[C@@H]1C[C@@H]([NH2+]CCN2CCC([NH3+])CC2)C1(C)C ZINC000925811980 617754701 /nfs/dbraw/zinc/75/47/01/617754701.db2.gz LPHAFGYXZFPRKG-HUUCEWRRSA-N 2 0 283.460 1.591 10 0 CDAERP CN1C[C@H](CC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1=O ZINC000925813256 617759622 /nfs/dbraw/zinc/75/96/22/617759622.db2.gz RAOPKSGKLXZVFI-KBMXLJTQSA-N 2 0 293.455 1.613 10 0 CDAERP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@H]1CC[NH2+]C3(CCC3)C1)[NH2+]2 ZINC000925703262 617764872 /nfs/dbraw/zinc/76/48/72/617764872.db2.gz CPGNVDRQDGKSLN-FQKPHLNHSA-N 2 0 263.429 1.780 10 0 CDAERP CC[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)[C@H]1CCOC1 ZINC000925845025 617879029 /nfs/dbraw/zinc/87/90/29/617879029.db2.gz WFFNNOILZMYZTR-GBJTYRQASA-N 2 0 252.402 1.923 10 0 CDAERP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925848452 617885242 /nfs/dbraw/zinc/88/52/42/617885242.db2.gz ATJIRFIHDZVUJF-UPJWGTAASA-N 2 0 266.385 1.450 10 0 CDAERP C[C@@H]1C[C@H]([NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)[C@H](C)O1 ZINC000925724625 617927504 /nfs/dbraw/zinc/92/75/04/617927504.db2.gz BTFCEXYJNHLLFK-QUGYJXMDSA-N 2 0 252.402 1.919 10 0 CDAERP CCON1CCC([NH2+]Cc2ccc3c[nH+]cn3c2)CC1 ZINC000926567325 618088864 /nfs/dbraw/zinc/08/88/64/618088864.db2.gz PSCVWFVVBJZIMN-UHFFFAOYSA-N 2 0 274.368 1.840 10 0 CDAERP C[C@@H](C[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2)N1CC[NH+](C)CC1 ZINC000924967038 618484823 /nfs/dbraw/zinc/48/48/23/618484823.db2.gz WAFUYHRUKZDJPH-CAOSSQGBSA-N 2 0 263.429 1.567 10 0 CDAERP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cc(O)cc(F)c1 ZINC000924995631 618572021 /nfs/dbraw/zinc/57/20/21/618572021.db2.gz ZIPWWFURYPKSDE-QWHCGFSZSA-N 2 0 295.402 1.818 10 0 CDAERP C[NH+](C)C1(CNC2[C@@H]3CC[C@H]2C[N@@H+](C)C3)CCOCC1 ZINC000925063945 618848809 /nfs/dbraw/zinc/84/88/09/618848809.db2.gz WLPZRNFZNIXJNS-YIONKMFJSA-N 2 0 281.444 1.027 10 0 CDAERP CC[C@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C(=O)OC ZINC000895140490 619345236 /nfs/dbraw/zinc/34/52/36/619345236.db2.gz RPJSSDJIFIUBKS-VXGBXAGGSA-N 2 0 256.390 1.648 10 0 CDAERP CC/C=C(\F)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000865783083 621025718 /nfs/dbraw/zinc/02/57/18/621025718.db2.gz GZIDQTFTVIPSPD-ZROIWOOFSA-N 2 0 287.423 1.982 10 0 CDAERP C(CC1CC[NH2+]CC1)CN1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866722993 621580298 /nfs/dbraw/zinc/58/02/98/621580298.db2.gz DRKBGLPGUHACOV-HUUCEWRRSA-N 2 0 251.418 1.593 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](C)[C@@H](C(C)(C)C)C2)CC[N@@H+]1C ZINC000898383692 621719238 /nfs/dbraw/zinc/71/92/38/621719238.db2.gz BLCNZSHSYIFRLU-RRFJBIMHSA-N 2 0 295.471 1.905 10 0 CDAERP CC[NH+](CC)CCOCCNC(=[NH2+])N[C@H](C)C1CC1 ZINC000899271450 622136188 /nfs/dbraw/zinc/13/61/88/622136188.db2.gz YFOMHEFXESIORC-GFCCVEGCSA-N 2 0 270.421 1.257 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])N[C@H](C)C1CC1 ZINC000899267875 622145600 /nfs/dbraw/zinc/14/56/00/622145600.db2.gz WZFULOJBUOSYRI-DGCLKSJQSA-N 2 0 252.406 1.773 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCF ZINC000900481150 623126562 /nfs/dbraw/zinc/12/65/62/623126562.db2.gz OFCDUPQUCBEBTM-CYBMUJFWSA-N 2 0 273.396 1.221 10 0 CDAERP O=C(N1CCC(C[NH+]2CCCC2)CC1)C12CC[NH+](CC1)C2 ZINC000900686487 623374614 /nfs/dbraw/zinc/37/46/14/623374614.db2.gz IOTQJWMIJUCFLT-UHFFFAOYSA-N 2 0 291.439 1.417 10 0 CDAERP C1C[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C2(C1)CCOCC2 ZINC000902469464 624861111 /nfs/dbraw/zinc/86/11/11/624861111.db2.gz QZSLTFDXXDKXGI-REWJHTLYSA-N 2 0 250.386 1.818 10 0 CDAERP CC[C@@H](CN1CCOCC1)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000903339640 625971469 /nfs/dbraw/zinc/97/14/69/625971469.db2.gz MRZYDLIISGDVKL-GJZGRUSLSA-N 2 0 283.460 1.560 10 0 CDAERP C[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903431528 625990139 /nfs/dbraw/zinc/99/01/39/625990139.db2.gz YKKYEZFFDAZPQH-BMFZPTHFSA-N 2 0 262.397 1.997 10 0 CDAERP CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903432666 625990229 /nfs/dbraw/zinc/99/02/29/625990229.db2.gz JRSCJFHMKHXOIU-UGUYLWEFSA-N 2 0 295.471 1.859 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000903441328 625993120 /nfs/dbraw/zinc/99/31/20/625993120.db2.gz NUUFGRQAAUVPKY-HIFRSBDPSA-N 2 0 299.422 1.764 10 0 CDAERP CC(F)(F)CCC[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000903458638 625994485 /nfs/dbraw/zinc/99/44/85/625994485.db2.gz FYHZAJMCWBDHIJ-GFCCVEGCSA-N 2 0 287.358 1.809 10 0 CDAERP Cc1noc(C)c1CN1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903442414 625997234 /nfs/dbraw/zinc/99/72/34/625997234.db2.gz PFBZDNCWWKWONK-CABCVRRESA-N 2 0 292.427 1.536 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000903443827 625998058 /nfs/dbraw/zinc/99/80/58/625998058.db2.gz JFKCRRFTQTWMTI-RDBSUJKOSA-N 2 0 289.427 1.259 10 0 CDAERP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903444257 625998252 /nfs/dbraw/zinc/99/82/52/625998252.db2.gz RFJMAKJSFQEJBM-ILXRZTDVSA-N 3 0 253.434 1.920 10 0 CDAERP C[C@H](c1cccnc1)N1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903445160 625998513 /nfs/dbraw/zinc/99/85/13/625998513.db2.gz HNTJSQRNVWJAOR-INMHGKMJSA-N 2 0 288.439 1.888 10 0 CDAERP CCOC(=O)N1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903455478 626002053 /nfs/dbraw/zinc/00/20/53/626002053.db2.gz WMRZRVNXMHHRGX-OLZOCXBDSA-N 2 0 269.389 1.278 10 0 CDAERP CCC[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCN1CCOC ZINC000903457117 626002683 /nfs/dbraw/zinc/00/26/83/626002683.db2.gz OASGTVVXYMMHAF-PMPSAXMXSA-N 2 0 283.460 1.547 10 0 CDAERP COC(=O)CC[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903478959 626005594 /nfs/dbraw/zinc/00/55/94/626005594.db2.gz NTSGGHYMGKSYJC-MJBXVCDLSA-N 2 0 268.401 1.779 10 0 CDAERP [NH3+][C@H]1CN(CCCC2CC[NH2+]CC2)CC[C@H]1C(F)(F)F ZINC000903538957 626015940 /nfs/dbraw/zinc/01/59/40/626015940.db2.gz FVTGYCAMWFJHGG-OLZOCXBDSA-N 2 0 293.377 1.978 10 0 CDAERP C([C@@H]1C[C@H]2COC[C@@H]2O1)[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000903713182 626069698 /nfs/dbraw/zinc/06/96/98/626069698.db2.gz HQEWIHWOEQBYHF-CQDKDKBSSA-N 2 0 266.385 1.007 10 0 CDAERP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)N1CC[NH2+]CC12CCCCC2 ZINC000903741667 626080118 /nfs/dbraw/zinc/08/01/18/626080118.db2.gz QPUQKUKKLCOPAG-CVEARBPZSA-N 2 0 293.455 1.363 10 0 CDAERP C([C@@H]1CC2(CO1)CC[NH2+]CC2)[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000903765523 626084494 /nfs/dbraw/zinc/08/44/94/626084494.db2.gz IZULJOGOFVGCEN-ILXRZTDVSA-N 2 0 280.412 1.113 10 0 CDAERP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000903769152 626086016 /nfs/dbraw/zinc/08/60/16/626086016.db2.gz YRVYHQLVEANWAP-BRWVUGGUSA-N 2 0 294.439 1.789 10 0 CDAERP CC(C)CC[N@H+](C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903880027 626130716 /nfs/dbraw/zinc/13/07/16/626130716.db2.gz MXIMMCWZERJGNH-ZDUSSCGKSA-N 2 0 265.405 1.681 10 0 CDAERP CCOC(=O)N[C@@H]1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903883453 626132385 /nfs/dbraw/zinc/13/23/85/626132385.db2.gz HNOJANBPKWSVSQ-JALIKCBVSA-N 2 0 295.427 1.728 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@H+](C)CC(C)(C)C)cnn1C ZINC000903885434 626132764 /nfs/dbraw/zinc/13/27/64/626132764.db2.gz HQRHLZRNGPSHQE-CYBMUJFWSA-N 2 0 266.433 1.824 10 0 CDAERP C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903892653 626134876 /nfs/dbraw/zinc/13/48/76/626134876.db2.gz KXORFMUEWGUKLS-DUJLVANISA-N 2 0 288.457 1.270 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@@H+]2C[C@H](C)C[C@@H]2C)cnn1C ZINC000903895608 626136034 /nfs/dbraw/zinc/13/60/34/626136034.db2.gz OVYMNVUPIPLNBS-MBNYWOFBSA-N 2 0 264.417 1.576 10 0 CDAERP C[C@@H]1CCSCC[N@@H+]1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903908593 626142513 /nfs/dbraw/zinc/14/25/13/626142513.db2.gz LQSVBBWIWKYEKL-CHWSQXEVSA-N 2 0 295.456 1.530 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@H](C3CC3)C2)cnn1C ZINC000903911091 626144229 /nfs/dbraw/zinc/14/42/29/626144229.db2.gz WWDSEUBUUQLDOI-HIFRSBDPSA-N 2 0 276.428 1.578 10 0 CDAERP COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903912506 626144563 /nfs/dbraw/zinc/14/45/63/626144563.db2.gz GBMLJJFEYZUTKX-UQTPLXADSA-N 2 0 292.423 1.791 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[NH2+]CCC2CC2)cnn1C ZINC000903923564 626148373 /nfs/dbraw/zinc/14/83/73/626148373.db2.gz XFHRCHPECQOYEQ-CYBMUJFWSA-N 2 0 250.390 1.236 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[NH2+][C@H](C)c2ccccn2)cnn1C ZINC000903924974 626148584 /nfs/dbraw/zinc/14/85/84/626148584.db2.gz ANUBXPJDPKMCSV-TZMCWYRMSA-N 2 0 287.411 1.592 10 0 CDAERP [NH3+][C@H](C[NH2+][C@H]1CCCCC12CC[NH2+]CC2)CC(F)F ZINC000903937986 626155717 /nfs/dbraw/zinc/15/57/17/626155717.db2.gz WSFSBTNKPFQJMY-RYUDHWBXSA-N 3 0 275.387 1.871 10 0 CDAERP COC[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)[C@@H]1CCCOC1 ZINC000903959427 626159482 /nfs/dbraw/zinc/15/94/82/626159482.db2.gz HWVHNTXFDILKJQ-MCIONIFRSA-N 2 0 256.390 1.160 10 0 CDAERP COCC(C)(C)C[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903955855 626166804 /nfs/dbraw/zinc/16/68/04/626166804.db2.gz BFFWSHVAROCXMC-SNVBAGLBSA-N 2 0 250.333 1.493 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cccc(O)c1)C2 ZINC000903978801 626170271 /nfs/dbraw/zinc/17/02/71/626170271.db2.gz MTRYNJIVMIOFIS-ZENOOKHLSA-N 2 0 290.363 1.105 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000903963956 626170993 /nfs/dbraw/zinc/17/09/93/626170993.db2.gz AXBOALVTJYBQBG-HIFRSBDPSA-N 2 0 270.380 1.817 10 0 CDAERP CCC[N@H+](CC)CCNC(=[NH2+])NC[C@H]1CCCS1 ZINC000905041642 626380919 /nfs/dbraw/zinc/38/09/19/626380919.db2.gz JQHSBXBRGYYJKV-GFCCVEGCSA-N 2 0 272.462 1.728 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1Cc1nc(CC2CC[NH2+]CC2)no1 ZINC000905309513 626758655 /nfs/dbraw/zinc/75/86/55/626758655.db2.gz XIICECNOKYLMKJ-NWDGAFQWSA-N 2 0 264.373 1.282 10 0 CDAERP C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000908194364 628063974 /nfs/dbraw/zinc/06/39/74/628063974.db2.gz ACOINDHRARTSAU-XQQFMLRXSA-N 2 0 253.390 1.070 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCN1Cc2ccccc2C1 ZINC000924830772 629085316 /nfs/dbraw/zinc/08/53/16/629085316.db2.gz HMBDRRMVEQIGBV-JWTNVVGKSA-N 2 0 285.435 1.932 10 0 CDAERP C[C@@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C[NH+]2CCC1CC2 ZINC000912373507 629969805 /nfs/dbraw/zinc/96/98/05/629969805.db2.gz FEDPGNQPHCRPFQ-LALPHHSUSA-N 2 0 274.368 1.114 10 0 CDAERP CC[NH+](CC)CCSCC(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912915246 630283080 /nfs/dbraw/zinc/28/30/80/630283080.db2.gz DQBNLMQDHSEBRF-AWEZNQCLSA-N 2 0 299.484 1.368 10 0 CDAERP CC(C)[C@H](C(=O)N1CC[C@H]([NH+]2CCC2)C1)[NH+]1CCCCC1 ZINC000912918580 630287663 /nfs/dbraw/zinc/28/76/63/630287663.db2.gz GFGHIRAWFGHKJT-JKSUJKDBSA-N 2 0 293.455 1.804 10 0 CDAERP C[C@@H](CNC(=O)N[C@@H]1CCC[N@H+](C)C1)[NH+]1CCCCC1 ZINC000919654530 632649193 /nfs/dbraw/zinc/64/91/93/632649193.db2.gz NPOJDJLSYBXKSK-UONOGXRCSA-N 2 0 282.432 1.254 10 0 CDAERP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cc[nH]c(=O)c2)CC1 ZINC000921685739 633174532 /nfs/dbraw/zinc/17/45/32/633174532.db2.gz LLAPZOMMHZAYKM-CQSZACIVSA-N 2 0 292.427 1.150 10 0 CDAERP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cc[nH]c(=O)c1 ZINC000921827752 633324922 /nfs/dbraw/zinc/32/49/22/633324922.db2.gz PWXWCMKIUDNXQV-ZDUSSCGKSA-N 2 0 267.373 1.234 10 0 CDAERP CCC[NH2+]CCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001699545511 1158455366 /nfs/dbraw/zinc/45/53/66/1158455366.db2.gz SUBFTOCBPOEPKH-ZDUSSCGKSA-N 2 0 255.406 1.176 10 0 CDAERP CC/C=C/CC[NH2+]CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001266724409 1158790604 /nfs/dbraw/zinc/79/06/04/1158790604.db2.gz NNPUDFCAQUGCPO-VOTSOKGWSA-N 2 0 281.444 1.875 10 0 CDAERP C([C@@H]1C[C@@H]2COC[C@H]2O1)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001772537131 1158797859 /nfs/dbraw/zinc/79/78/59/1158797859.db2.gz UNZXFQJKVSJCJB-QLFBSQMISA-N 2 0 280.412 1.256 10 0 CDAERP C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CC1CC1 ZINC001731600262 1159313291 /nfs/dbraw/zinc/31/32/91/1159313291.db2.gz UMXGDNAHUHJJQB-OCCSQVGLSA-N 2 0 267.417 1.365 10 0 CDAERP c1cc(N2CCC([NH2+]C3COCCOC3)CC2)cc[nH+]1 ZINC000381189900 1160732433 /nfs/dbraw/zinc/73/24/33/1160732433.db2.gz RJVNXGJJJJHILG-UHFFFAOYSA-N 2 0 277.368 1.055 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)CC[NH+]1CC[C@H](F)C1 ZINC001628442938 1166073657 /nfs/dbraw/zinc/07/36/57/1166073657.db2.gz ZOZQUWDZIYUNRI-AWEZNQCLSA-N 2 0 287.423 1.514 10 0 CDAERP CC[N@@H+]1CCN(C(=O)[C@H](C)CC[NH+](C)C)C[C@H]1C ZINC001630692971 1166224344 /nfs/dbraw/zinc/22/43/44/1166224344.db2.gz KDADQFDHDLULQS-CHWSQXEVSA-N 2 0 255.406 1.127 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)C1([NH+](C)C)CCCC1 ZINC001634205770 1166479573 /nfs/dbraw/zinc/47/95/73/1166479573.db2.gz WTNWJFMOXDNSSD-UHFFFAOYSA-N 2 0 269.433 1.661 10 0 CDAERP CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2[NH2+]CCCC2(C)C)C1 ZINC001645893428 1167556639 /nfs/dbraw/zinc/55/66/39/1167556639.db2.gz TYTVIWQJGRNRDI-ZIAGYGMSSA-N 2 0 281.444 1.613 10 0 CDAERP [NH3+][C@@H]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001645893771 1167557814 /nfs/dbraw/zinc/55/78/14/1167557814.db2.gz XZQKEUHJIXPTLE-HRCADAONSA-N 2 0 293.455 1.838 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001568263638 1168099585 /nfs/dbraw/zinc/09/95/85/1168099585.db2.gz ZBQUZAKBCUUDNV-KGLIPLIRSA-N 2 0 267.417 1.483 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]CCC3CC3)C2)CC[N@@H+]1C ZINC001567125505 1168576820 /nfs/dbraw/zinc/57/68/20/1168576820.db2.gz SHTHVORMPZDFNC-VNQPRFMTSA-N 2 0 293.455 1.565 10 0 CDAERP CCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001567135640 1168590306 /nfs/dbraw/zinc/59/03/06/1168590306.db2.gz LQHVGYTXGWHOBS-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP CN(CC[NH2+]CC1CC1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001567510690 1168823108 /nfs/dbraw/zinc/82/31/08/1168823108.db2.gz HBWWUGIBDQBNON-AWEZNQCLSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001568178728 1169163204 /nfs/dbraw/zinc/16/32/04/1169163204.db2.gz GUTHYSGMWLHTNO-OAHLLOKOSA-N 2 0 293.455 1.923 10 0 CDAERP CCCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001568294980 1169228881 /nfs/dbraw/zinc/22/88/81/1169228881.db2.gz LRZISTLVZXNUMQ-KKUMJFAQSA-N 2 0 283.460 1.953 10 0 CDAERP CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001568304769 1169234367 /nfs/dbraw/zinc/23/43/67/1169234367.db2.gz RQVGQPHONGGWBK-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001568304767 1169236163 /nfs/dbraw/zinc/23/61/63/1169236163.db2.gz RQVGQPHONGGWBK-KGLIPLIRSA-N 2 0 269.433 1.707 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CC[C@H]3C[NH+](C)C[C@@H]32)C1 ZINC001649359569 1169237338 /nfs/dbraw/zinc/23/73/38/1169237338.db2.gz LIABHCGADJYTRF-YHUYYLMFSA-N 2 0 293.455 1.565 10 0 CDAERP CCOCCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001569405332 1169859682 /nfs/dbraw/zinc/85/96/82/1169859682.db2.gz NWXOVEXWPLJWDP-CQSZACIVSA-N 2 0 297.443 1.136 10 0 CDAERP C[C@H](O)C[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)CC1 ZINC001570185822 1170105190 /nfs/dbraw/zinc/10/51/90/1170105190.db2.gz SLQJFXBNIKULOB-LSDHHAIUSA-N 2 0 299.459 1.070 10 0 CDAERP C[N@H+](CC(=O)NC1CC(C[NH2+]C/C=C\Cl)C1)C1CCC1 ZINC001570564382 1170190767 /nfs/dbraw/zinc/19/07/67/1170190767.db2.gz YCBHJWVWAAMJTR-UTCJRWHESA-N 2 0 299.846 1.708 10 0 CDAERP CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001571390148 1170404848 /nfs/dbraw/zinc/40/48/48/1170404848.db2.gz ZYRPACAXGZAMPL-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP Cc1cc(C[NH+]2CCC(O)(C[NH+](C)C)CC2)sn1 ZINC001659619169 1172128372 /nfs/dbraw/zinc/12/83/72/1172128372.db2.gz OLDODGGWPJBUNV-UHFFFAOYSA-N 2 0 269.414 1.340 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001661378309 1172377371 /nfs/dbraw/zinc/37/73/71/1172377371.db2.gz GRDZCEOEXZJTMX-LSDHHAIUSA-N 2 0 281.444 1.851 10 0 CDAERP CC[C@@H](F)C[NH2+]CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001664044221 1172806065 /nfs/dbraw/zinc/80/60/65/1172806065.db2.gz SKWNKFFHVPPVAM-CYBMUJFWSA-N 2 0 285.407 1.411 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)[C@@H](C)CC[NH+](C)C)CC1 ZINC001587334966 1172982194 /nfs/dbraw/zinc/98/21/94/1172982194.db2.gz KENAORCCXOMUSI-ZDUSSCGKSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[N@H+](C)C(C)C ZINC001667770931 1173323632 /nfs/dbraw/zinc/32/36/32/1173323632.db2.gz OJNADSLXOXXIME-KGLIPLIRSA-N 2 0 269.433 1.610 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001669320700 1173536816 /nfs/dbraw/zinc/53/68/16/1173536816.db2.gz PYDXMSWIDWQXQF-KGLIPLIRSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)OCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001673928205 1173897818 /nfs/dbraw/zinc/89/78/18/1173897818.db2.gz CLCHUCOZEWWXDU-LSDHHAIUSA-N 2 0 299.459 1.188 10 0 CDAERP C[C@@H](F)CC[NH2+]CC1CC(NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001674551105 1173961368 /nfs/dbraw/zinc/96/13/68/1173961368.db2.gz JOPVYFVFSSVAQZ-IYXRBSQSSA-N 2 0 299.434 1.703 10 0 CDAERP CN(CC(C)(C)C[NH2+]CCCF)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001674822829 1174013241 /nfs/dbraw/zinc/01/32/41/1174013241.db2.gz NILXRSNQVLHDKL-ZDUSSCGKSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+]CCF)C(C)(C)C ZINC001677306743 1174346253 /nfs/dbraw/zinc/34/62/53/1174346253.db2.gz OOPGOLREQQAFFR-GFCCVEGCSA-N 2 0 275.412 1.417 10 0 CDAERP CCOCC[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001690823040 1175580791 /nfs/dbraw/zinc/58/07/91/1175580791.db2.gz QSPWWZNIVGPTFE-OAHLLOKOSA-N 2 0 299.459 1.288 10 0 CDAERP CC[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001692135168 1175681291 /nfs/dbraw/zinc/68/12/91/1175681291.db2.gz NNXNOGXCBDMXRN-CQSZACIVSA-N 2 0 269.433 1.707 10 0 CDAERP COCCC[N@@H+]1CC[C@H](N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001698561455 1175843051 /nfs/dbraw/zinc/84/30/51/1175843051.db2.gz GEURFNJFSTWEHR-AWEZNQCLSA-N 2 0 297.443 1.040 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]CCCF)CC1 ZINC001698715374 1175901127 /nfs/dbraw/zinc/90/11/27/1175901127.db2.gz VQBDLWOFYQMJSZ-HDJSIYSDSA-N 2 0 287.423 1.703 10 0 CDAERP CCC[NH2+]C[C@@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001698766884 1175924943 /nfs/dbraw/zinc/92/49/43/1175924943.db2.gz BKQBDDQHDVIVHR-CYBMUJFWSA-N 2 0 271.449 1.716 10 0 CDAERP C[C@H](C[NH2+]CCCF)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001698853670 1175965479 /nfs/dbraw/zinc/96/54/79/1175965479.db2.gz UZMAQRXKJYXHCZ-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP CC(C)[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001698949489 1175988250 /nfs/dbraw/zinc/98/82/50/1175988250.db2.gz HNKNUYWQIYABSS-ZIAGYGMSSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001699409345 1176373689 /nfs/dbraw/zinc/37/36/89/1176373689.db2.gz WHTBPUWVRMISGA-QWHCGFSZSA-N 2 0 255.406 1.221 10 0 CDAERP CC[N@H+](C)C[C@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001699478513 1176438257 /nfs/dbraw/zinc/43/82/57/1176438257.db2.gz YYKHBKVJYFCEHY-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP CC[C@@H](C(=O)N(C)CCC[NH2+]C[C@@H]1CCCCO1)[NH+](C)C ZINC001699534882 1176466256 /nfs/dbraw/zinc/46/62/56/1176466256.db2.gz HGVZDLGSFYMQOD-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)CCC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001699598017 1176494002 /nfs/dbraw/zinc/49/40/02/1176494002.db2.gz PBRPGAGYEWREKK-JKSUJKDBSA-N 2 0 295.471 1.859 10 0 CDAERP O=C(N1CC[C@H](CC[NH2+]CCCF)C1)C12CC[NH+](CC1)C2 ZINC001700085685 1176743044 /nfs/dbraw/zinc/74/30/44/1176743044.db2.gz PGXUNCRWFNJCQC-AWEZNQCLSA-N 2 0 297.418 1.270 10 0 CDAERP CC(C)[NH2+][C@@H](C)[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001700405874 1176909290 /nfs/dbraw/zinc/90/92/90/1176909290.db2.gz UEHAZVGNUAMXFY-QWHCGFSZSA-N 2 0 267.417 1.506 10 0 CDAERP CCC[NH2+]CC(C)(C)CN(C)C(=O)CCN1CCOCC1 ZINC001700445475 1176931780 /nfs/dbraw/zinc/93/17/80/1176931780.db2.gz AECGDFFSCFTTOI-UHFFFAOYSA-N 2 0 299.459 1.193 10 0 CDAERP CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]CC=C(C)C)[NH+](C)C ZINC001700774992 1177126886 /nfs/dbraw/zinc/12/68/86/1177126886.db2.gz KKPQAFHVYPDZOY-UONOGXRCSA-N 2 0 269.433 1.729 10 0 CDAERP CC[C@@H](F)C[N@H+](C)CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001707374176 1178000943 /nfs/dbraw/zinc/00/09/43/1178000943.db2.gz FJLYMYYUPGSYMD-HUUCEWRRSA-N 2 0 299.434 1.514 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001713230695 1178446169 /nfs/dbraw/zinc/44/61/69/1178446169.db2.gz IJTPYXKQTROYIB-QLFBSQMISA-N 2 0 281.444 1.565 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001713245648 1178450213 /nfs/dbraw/zinc/45/02/13/1178450213.db2.gz KEJILQWMNBQQHT-LSDHHAIUSA-N 2 0 299.434 1.659 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001713352761 1178516089 /nfs/dbraw/zinc/51/60/89/1178516089.db2.gz DYZDQCAPZGGHRY-UONOGXRCSA-N 2 0 299.434 1.514 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001713472604 1178589415 /nfs/dbraw/zinc/58/94/15/1178589415.db2.gz DJSXOOFOWBJGBU-ZIAGYGMSSA-N 2 0 269.433 1.563 10 0 CDAERP CN(CC[NH2+]CCC1CC1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001713605820 1178678497 /nfs/dbraw/zinc/67/84/97/1178678497.db2.gz OSMABMFAVBMXJK-CVEARBPZSA-N 2 0 293.455 1.851 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC([C@H](C)[NH2+]CCOC)CC1 ZINC001713683568 1178707032 /nfs/dbraw/zinc/70/70/32/1178707032.db2.gz ZSFNBHGAWUVWEH-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP C[NH+](C)CCC(=O)NCCC[C@@H]1CCC[N@@H+]1CCF ZINC001714528481 1179183457 /nfs/dbraw/zinc/18/34/57/1179183457.db2.gz XVONLGANRALVIW-CYBMUJFWSA-N 2 0 273.396 1.268 10 0 CDAERP CCC[NH2+]CCN(C)C(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001714767777 1179386956 /nfs/dbraw/zinc/38/69/56/1179386956.db2.gz NQJPPPOBQNQFIX-NSHDSACASA-N 2 0 252.362 1.046 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC2(C[NH2+]CCCF)CCCC2)C1 ZINC001715104648 1179552364 /nfs/dbraw/zinc/55/23/64/1179552364.db2.gz UEDBUZYLUAUPLM-CQSZACIVSA-N 2 0 299.434 1.706 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CCC2(CN(CCF)C2)CC1 ZINC001715317004 1179619998 /nfs/dbraw/zinc/61/99/98/1179619998.db2.gz MMIAVQSAHIJCQK-UHFFFAOYSA-N 2 0 299.434 1.612 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CCCOC)CC[N@@H+]1C ZINC001715334362 1179630733 /nfs/dbraw/zinc/63/07/33/1179630733.db2.gz XEWJMXWCNCGBTF-QLFBSQMISA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001715371341 1179646933 /nfs/dbraw/zinc/64/69/33/1179646933.db2.gz GTTLNLIKQLWESJ-LSDHHAIUSA-N 2 0 281.444 1.731 10 0 CDAERP CCN(CC[NH2+]CC1CC(C)(C)C1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001715723964 1179779115 /nfs/dbraw/zinc/77/91/15/1179779115.db2.gz SDJYRHQLAVDLRD-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP CCN(CC[NH2+]CCOC(C)C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001715745212 1179787350 /nfs/dbraw/zinc/78/73/50/1179787350.db2.gz WQFFEVKACWHQAA-OAHLLOKOSA-N 2 0 299.459 1.334 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@@H]1CCC[C@H]1C[NH2+]CCCF ZINC001716075942 1180033105 /nfs/dbraw/zinc/03/31/05/1180033105.db2.gz TVYLYROUCNNRIJ-UONOGXRCSA-N 2 0 285.407 1.316 10 0 CDAERP CC(C)=CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001716139558 1180068022 /nfs/dbraw/zinc/06/80/22/1180068022.db2.gz COGICJJBRRSMJO-GDBMZVCRSA-N 2 0 293.455 1.779 10 0 CDAERP CCCC[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001716399325 1180186789 /nfs/dbraw/zinc/18/67/89/1180186789.db2.gz GBYBBFDPAQUFMG-GFCCVEGCSA-N 2 0 255.406 1.365 10 0 CDAERP CC(C)[NH2+]CCCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001716571609 1180289092 /nfs/dbraw/zinc/28/90/92/1180289092.db2.gz IVSWNFMRYXIXIG-UHFFFAOYSA-N 2 0 269.433 1.565 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@@H](C[NH2+]CCF)C2CCCC2)CCC1 ZINC001716817776 1180424207 /nfs/dbraw/zinc/42/42/07/1180424207.db2.gz OYKVUWJCVCUROV-AWEZNQCLSA-N 2 0 299.434 1.705 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@H](CC[NH2+]C/C=C/Cl)C1 ZINC001717098079 1180530322 /nfs/dbraw/zinc/53/03/22/1180530322.db2.gz ZTTMKSYPSOAPKV-MXPWBENCSA-N 2 0 287.835 1.519 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@@H](CC[NH2+]C/C=C/Cl)C1 ZINC001717098078 1180530334 /nfs/dbraw/zinc/53/03/34/1180530334.db2.gz ZTTMKSYPSOAPKV-LPZVBRGNSA-N 2 0 287.835 1.519 10 0 CDAERP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001717178832 1180562176 /nfs/dbraw/zinc/56/21/76/1180562176.db2.gz IJCWNDYRMNLZRX-LLYBFZRZSA-N 2 0 297.443 1.111 10 0 CDAERP CCCCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001717467223 1180688455 /nfs/dbraw/zinc/68/84/55/1180688455.db2.gz YAFVQRITFZIPER-KBPBESRZSA-N 2 0 269.433 1.707 10 0 CDAERP CCCC[C@H](C[NH2+]CCF)NC(=O)C12CC[NH+](CC1)C2 ZINC001717532979 1180724997 /nfs/dbraw/zinc/72/49/97/1180724997.db2.gz ROCLQSLQHGUIFE-CYBMUJFWSA-N 2 0 285.407 1.316 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C)C1C[NH+](CC)C1)[NH+](CC)CC ZINC001717555447 1180738403 /nfs/dbraw/zinc/73/84/03/1180738403.db2.gz AKOGRILCDZTKIT-OCCSQVGLSA-N 2 0 269.433 1.563 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CCCF)C[C@H]1C ZINC001717827172 1180881922 /nfs/dbraw/zinc/88/19/22/1180881922.db2.gz GUNLNQFEOFFCEH-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP CN(C(=O)C1CC[NH+](C)CC1)C1CC([NH2+]CCCF)C1 ZINC001717995837 1180962700 /nfs/dbraw/zinc/96/27/00/1180962700.db2.gz FPHVVOSNCNNOPO-UHFFFAOYSA-N 2 0 285.407 1.267 10 0 CDAERP CC[C@H](C(=O)NCC1=CC[N@H+](C[C@@H](F)CC)CC1)[NH+](C)C ZINC001718023796 1180974818 /nfs/dbraw/zinc/97/48/18/1180974818.db2.gz JPHXMOVWWUMPBV-LSDHHAIUSA-N 2 0 299.434 1.823 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH2+]C[C@@H](C)OC ZINC001723204487 1181526007 /nfs/dbraw/zinc/52/60/07/1181526007.db2.gz RKDNNAVPKYEFOZ-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP O=C(NCC1([NH2+]CCCF)CC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001723530827 1181583431 /nfs/dbraw/zinc/58/34/31/1181583431.db2.gz RZBWEMNQKYITOP-KBPBESRZSA-N 2 0 297.418 1.601 10 0 CDAERP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]CCF)C2CCCC2)CC[N@@H+]1C ZINC001724085420 1181634996 /nfs/dbraw/zinc/63/49/96/1181634996.db2.gz QLXACIHGWBDAQH-YUELXQCFSA-N 2 0 299.434 1.561 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1CCC[N@H+](CCCOC)CC1)[NH+](C)C ZINC001724839866 1181770712 /nfs/dbraw/zinc/77/07/12/1181770712.db2.gz UHMCYACMGCECFV-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N(C)C1CC([NH2+]CCC[C@@H](C)O)C1 ZINC001725789475 1182132319 /nfs/dbraw/zinc/13/23/19/1182132319.db2.gz JSGDGSKSCRBGNT-WLYUNCDWSA-N 2 0 299.459 1.067 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001731490998 1182417192 /nfs/dbraw/zinc/41/71/92/1182417192.db2.gz XWXKEFMBWGGWOO-OKILXGFUSA-N 2 0 277.412 1.285 10 0 CDAERP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CCCC1CCC1 ZINC001731637670 1182495487 /nfs/dbraw/zinc/49/54/87/1182495487.db2.gz RVOBXVHEMPYPRT-CQSZACIVSA-N 2 0 281.444 1.757 10 0 CDAERP CC(C)=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001731718615 1182529427 /nfs/dbraw/zinc/52/94/27/1182529427.db2.gz DNEBYMOGCYVYOO-JKSUJKDBSA-N 2 0 293.455 1.827 10 0 CDAERP CCCCC[N@@H+]1CC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001731860341 1182632772 /nfs/dbraw/zinc/63/27/72/1182632772.db2.gz ZTQZTMMEHDQKDC-OAHLLOKOSA-N 2 0 295.471 1.957 10 0 CDAERP CCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001732184700 1182837070 /nfs/dbraw/zinc/83/70/70/1182837070.db2.gz COQFKTUCHCWALD-CQSZACIVSA-N 2 0 269.433 1.517 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]C(C)C ZINC001732461435 1182978083 /nfs/dbraw/zinc/97/80/83/1182978083.db2.gz WNOCRDWPPWXTQV-UONOGXRCSA-N 2 0 269.433 1.706 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@@H](C)CC[NH2+]C/C=C/Cl)[NH+](C)C ZINC001732699778 1183092099 /nfs/dbraw/zinc/09/20/99/1183092099.db2.gz AHEWNYOSXMDASK-KELULYIISA-N 2 0 289.851 1.810 10 0 CDAERP CCN(CC[NH2+]CCF)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001732804094 1183131534 /nfs/dbraw/zinc/13/15/34/1183131534.db2.gz AJEJOPFILRCITK-UHFFFAOYSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@@H](C[NH2+]CCF)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001732996725 1183228766 /nfs/dbraw/zinc/22/87/66/1183228766.db2.gz SZHCNHGTUJQGHE-UONOGXRCSA-N 2 0 299.434 1.705 10 0 CDAERP CC(C)[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001733013517 1183237950 /nfs/dbraw/zinc/23/79/50/1183237950.db2.gz OSTUUFCGMNUFPH-UONOGXRCSA-N 2 0 269.433 1.752 10 0 CDAERP C[C@@H](C[NH2+]CC1=CCCCC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001733019830 1183241304 /nfs/dbraw/zinc/24/13/04/1183241304.db2.gz JNBMAIXMSAGNMK-HOCLYGCPSA-N 2 0 293.455 1.923 10 0 CDAERP COCC[NH2+]CCCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001733106358 1183292493 /nfs/dbraw/zinc/29/24/93/1183292493.db2.gz FZWLXDUJRWVDIR-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP COCC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001733142944 1183306032 /nfs/dbraw/zinc/30/60/32/1183306032.db2.gz LOCWVBSRVXWGQB-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP CCC[NH2+]CCCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001733142868 1183306419 /nfs/dbraw/zinc/30/64/19/1183306419.db2.gz JGRONOFGFBUKGM-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[NH2+]C1(C)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001733868648 1183555067 /nfs/dbraw/zinc/55/50/67/1183555067.db2.gz JRFHGUNWYFVUGM-UHFFFAOYSA-N 2 0 267.417 1.463 10 0 CDAERP C[C@@H](NC(=O)CC[NH+]1CCCCC1)[C@@H](C)[NH2+]CCCF ZINC001734005812 1183611791 /nfs/dbraw/zinc/61/17/91/1183611791.db2.gz VYXDIQOMVUIEFK-ZIAGYGMSSA-N 2 0 287.423 1.705 10 0 CDAERP CC1CC[NH+](CC(=O)N[C@H]2C[C@H](C[NH2+]CCCF)C2)CC1 ZINC001734218056 1183695396 /nfs/dbraw/zinc/69/53/96/1183695396.db2.gz UPWYPASUNUXOPR-SHTZXODSSA-N 2 0 299.434 1.562 10 0 CDAERP CC[NH2+][C@H](C)CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001734330737 1183735539 /nfs/dbraw/zinc/73/55/39/1183735539.db2.gz QRAPNTAZWPWJKW-CHWSQXEVSA-N 2 0 255.406 1.317 10 0 CDAERP CCN1CC[C@@H]([N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)C1=O ZINC000866708987 751351671 /nfs/dbraw/zinc/35/16/71/751351671.db2.gz UIHFVOUZCQONGI-DOMZBBRYSA-N 2 0 267.417 1.304 10 0 CDAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711362051 751358656 /nfs/dbraw/zinc/35/86/56/751358656.db2.gz SJXRBOJFXFKWGZ-QWHCGFSZSA-N 2 0 267.417 1.032 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)C=C1CC[NH2+]CC1 ZINC000852862959 751379823 /nfs/dbraw/zinc/37/98/23/751379823.db2.gz IHZKKCFAANAGBY-UHFFFAOYSA-N 2 0 253.390 1.144 10 0 CDAERP CN(CC1CC[NH+](C)CC1)C(=O)CCC12CC(C1)C[NH2+]2 ZINC000870881822 751491326 /nfs/dbraw/zinc/49/13/26/751491326.db2.gz NGIRUSYIRHAPBF-UHFFFAOYSA-N 2 0 279.428 1.319 10 0 CDAERP C([C@H]1CCC2(COC2)O1)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000929720064 751571074 /nfs/dbraw/zinc/57/10/74/751571074.db2.gz UXFNRRFIYJDYQN-HZPDHXFCSA-N 2 0 294.439 1.742 10 0 CDAERP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925700904 751758962 /nfs/dbraw/zinc/75/89/62/751758962.db2.gz UBEUAWMWYQHPSU-XDQVBPFNSA-N 3 0 251.418 1.611 10 0 CDAERP C[NH+](C)CCOCC[NH2+]Cc1cc2c(cc[nH]c2=O)o1 ZINC000865530943 751805441 /nfs/dbraw/zinc/80/54/41/751805441.db2.gz QLPUSVMZGMFRKZ-UHFFFAOYSA-N 2 0 279.340 1.201 10 0 CDAERP CN(C)Cc1csc(C[NH2+]C2CCC([NH3+])CC2)n1 ZINC000722383184 751814786 /nfs/dbraw/zinc/81/47/86/751814786.db2.gz OKNBAOAXOUKZLF-UHFFFAOYSA-N 2 0 268.430 1.564 10 0 CDAERP C(c1nc([C@@H]2CN3CCC[C@H]3CO2)no1)C1CC[NH2+]CC1 ZINC000093679681 751864265 /nfs/dbraw/zinc/86/42/65/751864265.db2.gz ICKKEESZMKXMJT-STQMWFEESA-N 2 0 292.383 1.147 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000232800060 751877592 /nfs/dbraw/zinc/87/75/92/751877592.db2.gz KTKPXYYFOJNSLO-LSDHHAIUSA-N 2 0 293.455 1.851 10 0 CDAERP C[NH+](C)CCNC(=S)NC1CC([NH+]2CCCCC2)C1 ZINC000795016562 751880224 /nfs/dbraw/zinc/88/02/24/751880224.db2.gz CRHLXBJXSODSFM-UHFFFAOYSA-N 2 0 284.473 1.029 10 0 CDAERP C[NH+](C)C[C@@H]1CN(C(=O)CC2CCCC2)C[C@H]1C[NH+](C)C ZINC000870025804 751888323 /nfs/dbraw/zinc/88/83/23/751888323.db2.gz YRMUCPNTRINUOF-HZPDHXFCSA-N 2 0 295.471 1.765 10 0 CDAERP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ncc[nH]1 ZINC000850483922 751950888 /nfs/dbraw/zinc/95/08/88/751950888.db2.gz YNHQFKBRUFMOPH-CYBMUJFWSA-N 2 0 292.427 1.951 10 0 CDAERP COCCOCCCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925540774 752040262 /nfs/dbraw/zinc/04/02/62/752040262.db2.gz IDRAKUKDOYEZTE-CQSZACIVSA-N 2 0 270.417 1.694 10 0 CDAERP c1ccc2c(c1)CC[C@]21CC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923420370 752091952 /nfs/dbraw/zinc/09/19/52/752091952.db2.gz JYMIWRXTNIQNHK-VQIMIIECSA-N 2 0 298.430 1.955 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)Nc1ccc(C[NH+](C)C)c(F)c1 ZINC000852869311 752097574 /nfs/dbraw/zinc/09/75/74/752097574.db2.gz CDNITHSKQXBVLT-AWEZNQCLSA-N 2 0 297.374 1.578 10 0 CDAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CO[C@@H](C)[C@H]1C ZINC000926199168 752100728 /nfs/dbraw/zinc/10/07/28/752100728.db2.gz CHWKSVGCZGXQCG-APIJFGDWSA-N 2 0 269.433 1.025 10 0 CDAERP FC(F)(F)c1coc(CN2CC[NH2+]CC[NH2+]CC2)c1 ZINC000923460442 752140905 /nfs/dbraw/zinc/14/09/05/752140905.db2.gz ODEPAVBGAYPUAW-UHFFFAOYSA-N 2 0 277.290 1.293 10 0 CDAERP CC(C)[NH+](CCC[NH2+]C[C@@H](O)CC(C)(C)O)C(C)C ZINC000872203203 752167449 /nfs/dbraw/zinc/16/74/49/752167449.db2.gz CZAHUYFXIFFVHJ-AWEZNQCLSA-N 2 0 274.449 1.607 10 0 CDAERP C[C@H]([NH3+])CN(C)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000861565642 752179786 /nfs/dbraw/zinc/17/97/86/752179786.db2.gz YSIYDESXXJHFCK-DZGCQCFKSA-N 2 0 292.427 1.148 10 0 CDAERP C[C@H]1CN(C(=[NH2+])NCCCC[N@H+](C)C2CC2)CCO1 ZINC000849039495 752187930 /nfs/dbraw/zinc/18/79/30/752187930.db2.gz BLQYTXBQIZAJRZ-LBPRGKRZSA-N 2 0 268.405 1.106 10 0 CDAERP C[N@@H+]1CC[C@@H]1CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000925406994 752201254 /nfs/dbraw/zinc/20/12/54/752201254.db2.gz JJHRRCMCEIEBPV-CABCVRRESA-N 2 0 294.443 1.350 10 0 CDAERP [NH3+]CCCCCC[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923451899 752235383 /nfs/dbraw/zinc/23/53/83/752235383.db2.gz NRJAUKIPYNLILA-CQSZACIVSA-N 3 0 269.433 1.335 10 0 CDAERP CC(C)(CN[C@H]1CC[NH2+]C12CCC2)C(=O)N1CCCC1 ZINC000925716157 752296834 /nfs/dbraw/zinc/29/68/34/752296834.db2.gz BSDHQMDUUYKBGE-ZDUSSCGKSA-N 2 0 279.428 1.509 10 0 CDAERP CC1(C)[C@H]([NH2+]CCN2CCSCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925480087 749421592 /nfs/dbraw/zinc/42/15/92/749421592.db2.gz DRVXCOLLRNLKQT-HZSPNIEDSA-N 2 0 283.485 1.401 10 0 CDAERP [NH3+]C1(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)CCOCC1 ZINC000863541847 749521092 /nfs/dbraw/zinc/52/10/92/749521092.db2.gz PZXQAZBNNDKHBT-GRYCIOLGSA-N 2 0 288.482 1.464 10 0 CDAERP C[C@H]([NH2+]C[C@@H](O)C1CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000838929236 749642914 /nfs/dbraw/zinc/64/29/14/749642914.db2.gz FRDJCZHSDLKWFI-DUVNUKRYSA-N 2 0 266.429 2.000 10 0 CDAERP CCO[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C[NH3+] ZINC000846694631 749659401 /nfs/dbraw/zinc/65/94/01/749659401.db2.gz ADNOPIFVOHMVPN-HUUCEWRRSA-N 2 0 297.443 1.075 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](CO)Cc2ccccc2)C12CCC2 ZINC000925499931 749672476 /nfs/dbraw/zinc/67/24/76/749672476.db2.gz BVNMBYZPSRXKSU-ARFHVFGLSA-N 2 0 274.408 1.697 10 0 CDAERP C[C@H]1CC2(CN1C(=O)C=C1CC[NH2+]CC1)CC[NH2+]CC2 ZINC000852892986 749700523 /nfs/dbraw/zinc/70/05/23/749700523.db2.gz KNMHNMMCRGFMMK-ZDUSSCGKSA-N 2 0 277.412 1.287 10 0 CDAERP C[N@@H+]1CC[C@H]2CN(C(=O)[C@@H]3CCCCC[C@@H]3[NH3+])CC[C@@H]21 ZINC000872310655 749732197 /nfs/dbraw/zinc/73/21/97/749732197.db2.gz HXVZEKYHSCUVTA-XGUBFFRZSA-N 2 0 279.428 1.447 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC2([NH+](C)C)CC2)[C@H](C)C1 ZINC000923004979 749742496 /nfs/dbraw/zinc/74/24/96/749742496.db2.gz HYEFGDLHAWHSSW-ZIAGYGMSSA-N 2 0 296.459 1.452 10 0 CDAERP O=c1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc[nH]1 ZINC000922269235 749790785 /nfs/dbraw/zinc/79/07/85/749790785.db2.gz LDHKGNAORFDRFJ-HNNXBMFYSA-N 2 0 275.396 1.999 10 0 CDAERP C(C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)O[C@@H]1CCOC1 ZINC000724930068 749801512 /nfs/dbraw/zinc/80/15/12/749801512.db2.gz GGFGSXAWYDEJSF-KFWWJZLASA-N 2 0 268.401 1.256 10 0 CDAERP CC1(C)[NH2+]CC[C@H]1N[C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925880960 749944573 /nfs/dbraw/zinc/94/45/73/749944573.db2.gz DDSUJSCTWWZKJY-INMHGKMJSA-N 2 0 273.424 1.776 10 0 CDAERP CC(C)[NH+]1CCN(CCCN2CCC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC000866724725 749951613 /nfs/dbraw/zinc/95/16/13/749951613.db2.gz OJFZFDNNMAKXGM-IAGOWNOFSA-N 2 0 294.487 1.229 10 0 CDAERP C(C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)CC1CCOCC1 ZINC000925677704 749956221 /nfs/dbraw/zinc/95/62/21/749956221.db2.gz AFWPAIZLXJAUOE-GVRJEKJASA-N 2 0 264.413 1.779 10 0 CDAERP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000925834129 749974763 /nfs/dbraw/zinc/97/47/63/749974763.db2.gz GDLJKPDJEVCMKF-SFYZADRCSA-N 2 0 264.295 1.654 10 0 CDAERP Cc1cccc([C@H](O)CN[C@H]2CC[NH2+]C23CCC3)c1 ZINC000925608395 749998260 /nfs/dbraw/zinc/99/82/60/749998260.db2.gz XDXAGOBMZIODBQ-CABCVRRESA-N 2 0 260.381 1.903 10 0 CDAERP CCCCOC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000227883318 750006766 /nfs/dbraw/zinc/00/67/66/750006766.db2.gz XWUSXBADBWWSTB-BFHYXJOUSA-N 2 0 258.406 1.223 10 0 CDAERP Cc1cnc([C@H](C)[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)o1 ZINC000923451285 750012557 /nfs/dbraw/zinc/01/25/57/750012557.db2.gz KYFDOKNZYAKYFZ-STQMWFEESA-N 2 0 279.384 1.874 10 0 CDAERP [NH3+]C1CCC([NH2+][C@H]2CCCN3CCSC[C@@H]23)CC1 ZINC000718348962 750025505 /nfs/dbraw/zinc/02/55/05/750025505.db2.gz DGVVLMMCGWYCQV-HOAMVYINSA-N 2 0 269.458 1.426 10 0 CDAERP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@H]1CCCC(C)(C)O1)C2 ZINC000714320750 750028408 /nfs/dbraw/zinc/02/84/08/750028408.db2.gz NJIRYPCZJUNIGO-GZBFAFLISA-N 2 0 252.402 1.875 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CCC2(CCC2)CO1 ZINC000716610439 750061364 /nfs/dbraw/zinc/06/13/64/750061364.db2.gz WOYZXHRBEXHBCW-KGLIPLIRSA-N 2 0 270.417 1.679 10 0 CDAERP COC[C@@H](C[N@H+](C)CCN(C)C1CC[NH+](C)CC1)C(C)C ZINC000930115054 750090165 /nfs/dbraw/zinc/09/01/65/750090165.db2.gz SDOOCKUHYCWQCA-MRXNPFEDSA-N 2 0 299.503 1.863 10 0 CDAERP C[N@@H+]1C[C@@H]2CN(C[C@]3(C)CCC[NH2+]C3)C[C@]2(C)C1 ZINC000702376608 750107397 /nfs/dbraw/zinc/10/73/97/750107397.db2.gz AZHJQBYWWFDKSN-KFWWJZLASA-N 2 0 251.418 1.260 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCN1CCc2ccccc21 ZINC000925832227 750129878 /nfs/dbraw/zinc/12/98/78/750129878.db2.gz CBQIJHQFVWWVIV-HNNXBMFYSA-N 2 0 277.412 1.393 10 0 CDAERP CN(C)C(=[NH2+])NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000849046476 750135189 /nfs/dbraw/zinc/13/51/89/750135189.db2.gz SFIHDJRRSNJOCN-KGLIPLIRSA-N 2 0 260.385 1.418 10 0 CDAERP CCOC(=O)C1=CC[C@H]([NH2+][C@@H]2CC[N@H+](CC)C[C@H]2C)C1 ZINC000858504331 750169976 /nfs/dbraw/zinc/16/99/76/750169976.db2.gz POBJSXNXIAIRDR-VHDGCEQUSA-N 2 0 280.412 1.958 10 0 CDAERP Cc1cc([C@H]([NH3+])CC(=O)N[C@H](C)CCC[NH3+])cc(Cl)n1 ZINC000834813020 750343608 /nfs/dbraw/zinc/34/36/08/750343608.db2.gz BOLGLMKJQYTVOR-BXKDBHETSA-N 2 0 298.818 1.677 10 0 CDAERP CC(C)[C@H]1CN(C(=S)NC2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000865268140 750344744 /nfs/dbraw/zinc/34/47/44/750344744.db2.gz ALIXWULREWCKIW-CQSZACIVSA-N 2 0 298.500 1.227 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CC2(C3(O)CCOCC3)CC2)C1 ZINC000925827964 750362175 /nfs/dbraw/zinc/36/21/75/750362175.db2.gz YZXQKOZTJKUMNG-KBPBESRZSA-N 2 0 296.455 1.804 10 0 CDAERP C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923500446 750363001 /nfs/dbraw/zinc/36/30/01/750363001.db2.gz QQRPHPSNFCYHEC-KEPFICHZSA-N 2 0 295.471 1.987 10 0 CDAERP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923326821 750456440 /nfs/dbraw/zinc/45/64/40/750456440.db2.gz NKGRJTXKBKLFLE-HUUCEWRRSA-N 3 0 281.444 1.029 10 0 CDAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CC[NH2+]C(C)(C)C ZINC000251902780 750495334 /nfs/dbraw/zinc/49/53/34/750495334.db2.gz WNZCEIHWNQNLBX-STQMWFEESA-N 2 0 267.417 1.460 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C[C@H]2CN(C3CC3)C(=O)O2)C[C@@H]1C ZINC000844301485 750590485 /nfs/dbraw/zinc/59/04/85/750590485.db2.gz WPLZGVHSYIIIAD-QEJZJMRPSA-N 2 0 295.427 1.774 10 0 CDAERP CCC[NH+](CCC)CCCNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000848996251 750621079 /nfs/dbraw/zinc/62/10/79/750621079.db2.gz OVVUISWXOZFAPP-AWEZNQCLSA-N 2 0 284.448 1.744 10 0 CDAERP C[N@@H+]1CCC[C@H]1CN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925716677 750644904 /nfs/dbraw/zinc/64/49/04/750644904.db2.gz BQWMVZHTVXHEBC-ARFHVFGLSA-N 2 0 265.445 1.839 10 0 CDAERP Cc1cccc(OC[C@H](O)C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923490176 750800123 /nfs/dbraw/zinc/80/01/23/750800123.db2.gz BQQDNURPVNLXAA-ARFHVFGLSA-N 2 0 292.423 1.651 10 0 CDAERP COC(=O)C1=CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000858469822 750800769 /nfs/dbraw/zinc/80/07/69/750800769.db2.gz ABFMHSSBKTYAIU-BYNSBNAKSA-N 2 0 278.396 1.711 10 0 CDAERP C[C@H]1C[C@H]1NC(=[NH2+])NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000864465492 750832531 /nfs/dbraw/zinc/83/25/31/750832531.db2.gz YFVTUHGSXNUCRK-YNEHKIRRSA-N 2 0 268.405 1.010 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)N[C@@H]1CC[NH+](C)[C@H]1C ZINC000925343791 750845789 /nfs/dbraw/zinc/84/57/89/750845789.db2.gz QFZGKHUWXHDFNX-QWHCGFSZSA-N 2 0 284.448 1.499 10 0 CDAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CCc1ccns1)CC2 ZINC000923447210 750849237 /nfs/dbraw/zinc/84/92/37/750849237.db2.gz QKZBHODWUPJWDE-LBPRGKRZSA-N 2 0 281.425 1.515 10 0 CDAERP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000924700039 750850262 /nfs/dbraw/zinc/85/02/62/750850262.db2.gz VUMBQIATQRJBCV-SEBNEYGDSA-N 2 0 252.402 1.874 10 0 CDAERP Cc1cnc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)s1 ZINC000866011057 750855139 /nfs/dbraw/zinc/85/51/39/750855139.db2.gz UOYKYNWMSJQCEU-CHWSQXEVSA-N 2 0 282.457 1.627 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000925712199 750879540 /nfs/dbraw/zinc/87/95/40/750879540.db2.gz WVOYYVQSHBLSNY-HLEBUVOVSA-N 2 0 286.366 1.906 10 0 CDAERP CN(C[C@H](O)c1ccc(F)cn1)C[C@H]1CCC[N@H+](C)C1 ZINC000799304338 750883913 /nfs/dbraw/zinc/88/39/13/750883913.db2.gz WOGZEAGFUBNZHI-WFASDCNBSA-N 2 0 281.375 1.528 10 0 CDAERP COC(=O)[C@@H]1[C@@H](C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)C1(F)F ZINC000787774744 750887158 /nfs/dbraw/zinc/88/71/58/750887158.db2.gz UZQMZVZXGPJLGK-AXFHLTTASA-N 2 0 299.321 1.643 10 0 CDAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=[NH2+])N[C@@H](C)C2CC2)C1 ZINC000080874643 751034661 /nfs/dbraw/zinc/03/46/61/751034661.db2.gz UDIXMFHJONRBTA-JSGCOSHPSA-N 2 0 282.432 1.046 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]CCc2cn3c(n2)SCC3)C12CCC2 ZINC000925649821 751069232 /nfs/dbraw/zinc/06/92/32/751069232.db2.gz OUNRQAPZERTVKS-NEPJUHHUSA-N 2 0 278.425 1.391 10 0 CDAERP CC[C@@H]1CCN(C(=[NH2+])NC[C@H]2CCC[N@@H+]2CC)C1 ZINC000864452459 751069259 /nfs/dbraw/zinc/06/92/59/751069259.db2.gz QUHGSTMUMRXTKV-CHWSQXEVSA-N 2 0 252.406 1.727 10 0 CDAERP C[C@@H]1CCC[N@@H+]1CCN[C@@H]1CC[NH+](C)[C@H]2CCC[C@H]21 ZINC000796781175 751074691 /nfs/dbraw/zinc/07/46/91/751074691.db2.gz LKFYHXCFHSFJIR-QXSJWSMHSA-N 2 0 265.445 1.933 10 0 CDAERP CC[NH+](CC)CC[C@H](CO)[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000922221030 751078476 /nfs/dbraw/zinc/07/84/76/751078476.db2.gz FAUXDIQWZAMWLW-VCCANDMLSA-N 2 0 296.455 1.482 10 0 CDAERP CC[C@H]([NH2+][C@@H](CCC[NH3+])COC)[C@H]1CCCOC1 ZINC000723988815 752323041 /nfs/dbraw/zinc/32/30/41/752323041.db2.gz RZNJCJHYNMNMPV-IHRRRGAJSA-N 2 0 258.406 1.535 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000844182969 752336788 /nfs/dbraw/zinc/33/67/88/752336788.db2.gz ROYSUPUAKIGMLK-ZDUSSCGKSA-N 2 0 293.411 1.717 10 0 CDAERP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866708312 752345963 /nfs/dbraw/zinc/34/59/63/752345963.db2.gz ZJNPEWISWKRWPE-BBRMVZONSA-N 2 0 283.460 1.939 10 0 CDAERP CC(C)N1CCO[C@H](C(=[NH2+])NOCc2cncs2)C1 ZINC000853686153 752346149 /nfs/dbraw/zinc/34/61/49/752346149.db2.gz VEXBBZBIRQJFES-NSHDSACASA-N 2 0 284.385 1.251 10 0 CDAERP CN(CC1C[NH+](C)C1)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000852224002 752356299 /nfs/dbraw/zinc/35/62/99/752356299.db2.gz XSYFIJXBYWYAPM-ZIAGYGMSSA-N 2 0 282.432 1.062 10 0 CDAERP C[C@@H]1[C@H](NC(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)CC[N@@H+]1C ZINC000925330235 752364863 /nfs/dbraw/zinc/36/48/63/752364863.db2.gz RJJBNJBVBMKOQN-KBUPBQIOSA-N 2 0 294.443 1.205 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000925785367 752366964 /nfs/dbraw/zinc/36/69/64/752366964.db2.gz KVIDBMPRGVJLGL-MUIFIZLQSA-N 2 0 288.439 1.490 10 0 CDAERP C[C@@H](C[NH2+][C@@H]1CC2CCC1CC2)N1CC[NH+](C)CC1 ZINC000924960647 752376329 /nfs/dbraw/zinc/37/63/29/752376329.db2.gz LGLZOXBUDHVIRM-SLTXQBBLSA-N 2 0 265.445 1.791 10 0 CDAERP CN(CCCCCC[NH3+])c1cc[nH+]cc1C(N)=O ZINC000710817504 752419673 /nfs/dbraw/zinc/41/96/73/752419673.db2.gz AWCCNHCZMVMNKM-UHFFFAOYSA-N 2 0 250.346 1.136 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCNC(=O)c1ccccc1 ZINC000924836275 752727939 /nfs/dbraw/zinc/72/79/39/752727939.db2.gz XMHRCGFUXNLAMS-XYPWUTKMSA-N 2 0 287.407 1.346 10 0 CDAERP Cc1noc(CCC[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)n1 ZINC000925596988 752739027 /nfs/dbraw/zinc/73/90/27/752739027.db2.gz ZJZOPGKJUQUMHW-KWCYVHTRSA-N 2 0 278.400 1.677 10 0 CDAERP CC(C)[C@](C)(CN)[NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923296024 752815775 /nfs/dbraw/zinc/81/57/75/752815775.db2.gz NEJTWTUQIZKCAN-DKUMPPAJSA-N 2 0 253.434 1.870 10 0 CDAERP C(C[NH2+]C1CC1)C[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000923322882 752863208 /nfs/dbraw/zinc/86/32/08/752863208.db2.gz BHHOEHBJMRLTAO-MRXNPFEDSA-N 2 0 281.444 1.315 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[NH2+]CCC1(C)C ZINC000872301806 752999193 /nfs/dbraw/zinc/99/91/93/752999193.db2.gz UNEIJPOOILKQCX-ZDUSSCGKSA-N 2 0 269.433 1.598 10 0 CDAERP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cn(C3CC3)cn2)CC1 ZINC000865492444 753043565 /nfs/dbraw/zinc/04/35/65/753043565.db2.gz RPAWKTOIWJEUPW-UHFFFAOYSA-N 2 0 292.427 1.543 10 0 CDAERP Cc1ccc([C@H](O)C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925492125 753065546 /nfs/dbraw/zinc/06/55/46/753065546.db2.gz GWESEWYQZFFYCA-KFWWJZLASA-N 2 0 260.381 1.888 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)C[C@H]1CC[C@H](C2CC2)O1 ZINC000715407084 753081128 /nfs/dbraw/zinc/08/11/28/753081128.db2.gz ZCZDJLLNDWRPMV-ZIAGYGMSSA-N 2 0 256.390 1.112 10 0 CDAERP [NH3+][C@H]1C[C@H]([NH2+]CCNC(=O)c2ccccc2F)C12CCC2 ZINC000925492593 753252237 /nfs/dbraw/zinc/25/22/37/753252237.db2.gz IACZYTLZISWMDY-KBPBESRZSA-N 2 0 291.370 1.415 10 0 CDAERP C[C@@H](C[NH2+][C@H]1CCCc2cn[nH]c21)CN1CC[NH+](C)CC1 ZINC000857853127 753271308 /nfs/dbraw/zinc/27/13/08/753271308.db2.gz LOOYUOKVVWXVGI-ZFWWWQNUSA-N 2 0 291.443 1.260 10 0 CDAERP C[C@H]1CCCN1C(=O)CC[N@@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC000931312665 753275454 /nfs/dbraw/zinc/27/54/54/753275454.db2.gz YCEKCTYIOGGMLF-BHYGNILZSA-N 2 0 293.455 1.661 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)C12CCC2 ZINC000713524279 753280852 /nfs/dbraw/zinc/28/08/52/753280852.db2.gz SRFIYAIVCBUZRR-RGDJUOJXSA-N 2 0 262.397 1.804 10 0 CDAERP C[C@H]1OC[C@@H]([NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)[C@H]1C ZINC000925439066 753286177 /nfs/dbraw/zinc/28/61/77/753286177.db2.gz HXEWEEYPKWNHKE-ZVDSWSACSA-N 2 0 284.444 1.889 10 0 CDAERP CSC[C@H](O)C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000923428192 753289219 /nfs/dbraw/zinc/28/92/19/753289219.db2.gz NISJJNYZKFWPEG-CHWSQXEVSA-N 2 0 258.431 1.176 10 0 CDAERP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713276497 753317139 /nfs/dbraw/zinc/31/71/39/753317139.db2.gz LHNUPDQRXXJUNL-RGHULWKBSA-N 2 0 277.412 1.199 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+]CC[C@@H](N(C)C)C(F)(F)F ZINC000925836421 753368980 /nfs/dbraw/zinc/36/89/80/753368980.db2.gz KLBNRTBQMXPVNT-GHMZBOCLSA-N 2 0 269.355 1.976 10 0 CDAERP CCOC(=O)C1=CC[C@H]([NH2+][C@H]2CC[N@H+](CC)C[C@H]2C)C1 ZINC000858504330 753411995 /nfs/dbraw/zinc/41/19/95/753411995.db2.gz POBJSXNXIAIRDR-SNPRPXQTSA-N 2 0 280.412 1.958 10 0 CDAERP c1cnc(C2([NH2+]CCC3CC[NH2+]CC3)CCOCC2)nc1 ZINC000923555849 753418414 /nfs/dbraw/zinc/41/84/14/753418414.db2.gz XCCQFNTUYWMENK-UHFFFAOYSA-N 2 0 290.411 1.462 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)CC[NH2+]CC1CC1 ZINC000870866253 753421864 /nfs/dbraw/zinc/42/18/64/753421864.db2.gz PLLFZVFMQXJTPO-ZDUSSCGKSA-N 2 0 267.417 1.367 10 0 CDAERP Cn1cncc1CC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925647580 753499891 /nfs/dbraw/zinc/49/98/91/753499891.db2.gz YZJUGPCCNLWHIK-CVEARBPZSA-N 2 0 276.428 1.721 10 0 CDAERP CC(C)Cc1ccccc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000923460421 753631295 /nfs/dbraw/zinc/63/12/95/753631295.db2.gz NIFOXEOSXZIUMS-UHFFFAOYSA-N 2 0 275.440 1.880 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCO[C@H]1CCOC1 ZINC000925261433 753635204 /nfs/dbraw/zinc/63/52/04/753635204.db2.gz HMUQTJNAJXDMTP-MBOZISHXSA-N 2 0 268.401 1.112 10 0 CDAERP COC1(OC)CC[C@@H]1NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000926288673 753661427 /nfs/dbraw/zinc/66/14/27/753661427.db2.gz WVSYCOFIELOVJN-KGLIPLIRSA-N 2 0 286.416 1.228 10 0 CDAERP [NH3+][C@H](C[C@@H]1CCC[N@@H+]([C@@H]2CCOC2=O)C1)C1CCCC1 ZINC000872157228 753686785 /nfs/dbraw/zinc/68/67/85/753686785.db2.gz NTLVLMJZVGVGNX-NWANDNLSSA-N 2 0 280.412 1.922 10 0 CDAERP CC(C)COC[C@H](O)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000923389481 753736020 /nfs/dbraw/zinc/73/60/20/753736020.db2.gz RHPHEDTXTQTGLQ-DLBZAZTESA-N 2 0 298.471 1.732 10 0 CDAERP C[NH+](C)CCCOC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000792222070 753767119 /nfs/dbraw/zinc/76/71/19/753767119.db2.gz ZSXSOFUCOGNLKI-UHFFFAOYSA-N 2 0 290.407 1.930 10 0 CDAERP CC[C@@H]1C[C@@H](C[NH2+]CCCN(C)CC[NH+](C)C)CCO1 ZINC000857784080 753772157 /nfs/dbraw/zinc/77/21/57/753772157.db2.gz POCZWOWQKSXLIQ-JKSUJKDBSA-N 2 0 285.476 1.665 10 0 CDAERP CN(C[C@H](O)C[NH2+]CC[C@@H]1CCC2(CCC2)O1)C1CC1 ZINC000717107136 753805358 /nfs/dbraw/zinc/80/53/58/753805358.db2.gz DAVAITWIXDFGBL-CABCVRRESA-N 2 0 282.428 1.523 10 0 CDAERP CC[C@@H]1COC[C@H]1[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000925954636 753806215 /nfs/dbraw/zinc/80/62/15/753806215.db2.gz OKUQQCZPUXJRSM-QLFBSQMISA-N 2 0 299.459 1.094 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H](O)COc1ccccc1 ZINC000924619189 753808480 /nfs/dbraw/zinc/80/84/80/753808480.db2.gz GFNZGYCMGFJNBY-QDSSRZTBSA-N 2 0 290.407 1.356 10 0 CDAERP C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)CCN1CCOCC1 ZINC000923368868 753837115 /nfs/dbraw/zinc/83/71/15/753837115.db2.gz DFLJABUQBFCNMD-MQVJKMGUSA-N 2 0 281.444 1.171 10 0 CDAERP CCOC1CC(O)(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925657546 753838570 /nfs/dbraw/zinc/83/85/70/753838570.db2.gz CRKDTNVYOQGGBY-ATAKMUTHSA-N 2 0 270.417 1.412 10 0 CDAERP CN(CC[NH2+]CCCCCF)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001317599811 1167460146 /nfs/dbraw/zinc/46/01/46/1167460146.db2.gz BFALNUXVURLGOI-CQSZACIVSA-N 2 0 287.423 1.659 10 0 CDAERP CCCC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001568459784 1167532150 /nfs/dbraw/zinc/53/21/50/1167532150.db2.gz VXGYMYOFCGPSHY-ZIAGYGMSSA-N 2 0 269.433 1.611 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC2CCC2)C1)[NH+](C)C ZINC001566666376 1168377535 /nfs/dbraw/zinc/37/75/35/1168377535.db2.gz DHHIKSWXLMCGBU-UONOGXRCSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001483670704 912490332 /nfs/dbraw/zinc/49/03/32/912490332.db2.gz QHKGBZGJVBSCMG-KBPBESRZSA-N 2 0 299.434 1.799 10 0 CDAERP CC[N@H+](C)[C@@H]1CCN(C(=O)NCC[NH+]2CC[C@H](C)C2)C1 ZINC001365274320 912952465 /nfs/dbraw/zinc/95/24/65/912952465.db2.gz HSGUWKZOYVWIFQ-UONOGXRCSA-N 2 0 282.432 1.064 10 0 CDAERP CCCC[N@H+](CC)CCNC(=O)C[NH+]1CCCC1 ZINC001567352083 1168695401 /nfs/dbraw/zinc/69/54/01/1168695401.db2.gz KVEQQOHSJCVYLV-UHFFFAOYSA-N 2 0 255.406 1.320 10 0 CDAERP CN(CC[NH2+]C[C@@H]1CCOC1)C(=O)C[N@H+](C)CC(C)(C)C ZINC001567561176 1168859480 /nfs/dbraw/zinc/85/94/80/1168859480.db2.gz CNYVYANWRSMMPB-AWEZNQCLSA-N 2 0 299.459 1.049 10 0 CDAERP CC(C)CC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001481069965 898730112 /nfs/dbraw/zinc/73/01/12/898730112.db2.gz DNWBFBKUNPHIMB-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NCC[NH+](CCCF)C2CC2)C1 ZINC001481194878 899108750 /nfs/dbraw/zinc/10/87/50/899108750.db2.gz XMYHJNOBDVYLHQ-CYBMUJFWSA-N 2 0 285.407 1.268 10 0 CDAERP CC/C=C\CC[NH+]1CC(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001267681344 899266543 /nfs/dbraw/zinc/26/65/43/899266543.db2.gz CFPXXIYPHHFNQW-WAYWQWQTSA-N 2 0 293.455 1.875 10 0 CDAERP CCC(CC)C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001481231446 899517269 /nfs/dbraw/zinc/51/72/69/899517269.db2.gz AQIJDKWZAMVXGZ-UKRRQHHQSA-N 2 0 283.460 1.811 10 0 CDAERP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC1CCC1 ZINC001267829141 899831288 /nfs/dbraw/zinc/83/12/88/899831288.db2.gz NOCJCTQLSGVHOU-AWEZNQCLSA-N 2 0 267.417 1.367 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CC[NH2+]CCCF)CC1 ZINC001267912201 899957605 /nfs/dbraw/zinc/95/76/05/899957605.db2.gz NVOVHXXTMZCLRF-OAHLLOKOSA-N 2 0 299.434 1.659 10 0 CDAERP CC[C@H](C(=O)N1CCC(CC[NH2+]CCOC)CC1)[NH+](C)C ZINC001267917600 899969922 /nfs/dbraw/zinc/96/99/22/899969922.db2.gz MRUINQKKJRCJAM-OAHLLOKOSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)=CC[NH2+]CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001481304401 900282843 /nfs/dbraw/zinc/28/28/43/900282843.db2.gz RYMURUDOVHOBLZ-UHFFFAOYSA-N 2 0 265.401 1.096 10 0 CDAERP CCCC[NH2+]C1CC(N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001279249167 900746720 /nfs/dbraw/zinc/74/67/20/900746720.db2.gz GZNCKPUHZPYJOY-JXQTWKCFSA-N 2 0 269.433 1.706 10 0 CDAERP CC(C)C[C@H](C[NH2+]CCCF)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268109796 901310431 /nfs/dbraw/zinc/31/04/31/901310431.db2.gz OOBPIEXMPHLHIW-ZIAGYGMSSA-N 2 0 287.423 1.561 10 0 CDAERP CC[C@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+]CC[C@H](C)F ZINC001481828728 902186015 /nfs/dbraw/zinc/18/60/15/902186015.db2.gz GMPFRYAZRGSOTR-UONOGXRCSA-N 2 0 299.434 1.847 10 0 CDAERP CCN(CC[NH2+]CC1CC1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001268469609 902232954 /nfs/dbraw/zinc/23/29/54/902232954.db2.gz OAFACEWNGQIJOB-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC1CC(C)C1 ZINC001481867996 902245998 /nfs/dbraw/zinc/24/59/98/902245998.db2.gz CXSVZBXYFAPASW-NRXISQOPSA-N 2 0 293.455 1.613 10 0 CDAERP COCC[NH2+]C[C@]1(NC(=O)CC[NH+](C)C)CCCC[C@H]1C ZINC001481962136 902407798 /nfs/dbraw/zinc/40/77/98/902407798.db2.gz QCYCYSCEOJYMAY-GDBMZVCRSA-N 2 0 299.459 1.239 10 0 CDAERP CC(C)[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001268601624 902807281 /nfs/dbraw/zinc/80/72/81/902807281.db2.gz DCQWTKACNKDSOX-RYIMYRPNSA-N 2 0 279.428 1.674 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC001361981712 903085346 /nfs/dbraw/zinc/08/53/46/903085346.db2.gz WFJUDNSDSJVSII-CABCVRRESA-N 2 0 283.460 1.811 10 0 CDAERP C[C@H](CNC(=O)[C@@H](C)CC[NH+](C)C)[NH+]1CCC(C)CC1 ZINC001361981776 903085390 /nfs/dbraw/zinc/08/53/90/903085390.db2.gz WFJUDNSDSJVSII-LSDHHAIUSA-N 2 0 283.460 1.811 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CC[N@H+](C)CC2(C)C)C1 ZINC001362159986 903263801 /nfs/dbraw/zinc/26/38/01/903263801.db2.gz GCNYFRBWHAQIBC-ZIAGYGMSSA-N 2 0 281.444 1.659 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]CCCF)CCC1 ZINC001272272175 903552186 /nfs/dbraw/zinc/55/21/86/903552186.db2.gz QAIKLVUJXKRYJJ-KGLIPLIRSA-N 2 0 299.434 1.705 10 0 CDAERP CCC[NH2+]CC[C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001269783668 904111951 /nfs/dbraw/zinc/11/19/51/904111951.db2.gz FAGLMXTZKWPXBB-OAHLLOKOSA-N 2 0 283.460 1.957 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC(CC[NH2+]CCF)CC1 ZINC001269927291 904216179 /nfs/dbraw/zinc/21/61/79/904216179.db2.gz KFKIVEJLQFUHLE-UHFFFAOYSA-N 2 0 287.423 1.516 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCCOC)C[C@H]1C ZINC001269973904 904242792 /nfs/dbraw/zinc/24/27/92/904242792.db2.gz VIQFRWYMFFUKFW-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP C[C@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]C/C=C\Cl ZINC001422448854 904455305 /nfs/dbraw/zinc/45/53/05/904455305.db2.gz YAHOIQQVXMNDTE-YGABWQLJSA-N 2 0 273.808 1.318 10 0 CDAERP C[C@@H](C(=O)N[C@@H]1C[N@H+](C)CC1(C)C)[NH+]1CCCCCC1 ZINC001363623100 904623538 /nfs/dbraw/zinc/62/35/38/904623538.db2.gz XWXRHHSOOZTASL-UONOGXRCSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C[NH2+]CCF)C1CCCC1)[NH+](C)C ZINC001270450472 904643998 /nfs/dbraw/zinc/64/39/98/904643998.db2.gz VEGGWPFRUNOJTD-KBPBESRZSA-N 2 0 287.423 1.561 10 0 CDAERP CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001482293592 904690145 /nfs/dbraw/zinc/69/01/45/904690145.db2.gz XIAYZNVHYUXVNZ-HIFRSBDPSA-N 2 0 281.444 1.850 10 0 CDAERP CC(C)CCC[NH2+]C[C@@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001482353176 905174217 /nfs/dbraw/zinc/17/42/17/905174217.db2.gz DYPYHMBBMUKSHB-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[C@H](C[NH2+]CC1CC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482397342 905295306 /nfs/dbraw/zinc/29/53/06/905295306.db2.gz YFJBSXYAVXLIET-JKSUJKDBSA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001270967559 905505682 /nfs/dbraw/zinc/50/56/82/905505682.db2.gz JPMWZNRPGQNHQU-YNEHKIRRSA-N 2 0 255.406 1.172 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001270994166 905529342 /nfs/dbraw/zinc/52/93/42/905529342.db2.gz BXSLTHRTNPGREG-STQMWFEESA-N 2 0 287.423 1.655 10 0 CDAERP CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)C(C)C ZINC001271758654 906779768 /nfs/dbraw/zinc/77/97/68/906779768.db2.gz CTLSLVKVQKSCOV-KGLIPLIRSA-N 2 0 269.433 1.563 10 0 CDAERP CCN(C(=O)CCCC[NH+](C)C)[C@H]1CC[N@H+](C[C@H](C)O)C1 ZINC001567943564 1169087329 /nfs/dbraw/zinc/08/73/29/1169087329.db2.gz CNHSJKIVNSCOMC-GJZGRUSLSA-N 2 0 299.459 1.022 10 0 CDAERP CC(C)=CC[NH2+]C/C=C\CNC(=O)CC[NH+](C)C ZINC001483054344 909139848 /nfs/dbraw/zinc/13/98/48/909139848.db2.gz LWGXWEMCRJZAAP-WAYWQWQTSA-N 2 0 253.390 1.166 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC/C=C/C[NH2+]Cc1ccsc1 ZINC001483097971 909338960 /nfs/dbraw/zinc/33/89/60/909338960.db2.gz OCRKBLDKIWVOQH-SNAWJCMRSA-N 2 0 295.452 1.850 10 0 CDAERP C[C@H](C[NH2+][C@H](C)c1ccc(F)cc1)NC(=O)CC[NH+](C)C ZINC001483163055 909893795 /nfs/dbraw/zinc/89/37/95/909893795.db2.gz WPSSGVOHFHXLMR-CHWSQXEVSA-N 2 0 295.402 1.933 10 0 CDAERP C[C@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]CC1CCOCC1 ZINC001409380149 910353473 /nfs/dbraw/zinc/35/34/73/910353473.db2.gz FCPRWFYYDHPMLV-KBPBESRZSA-N 2 0 299.459 1.238 10 0 CDAERP CC(C)[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001483465918 911154961 /nfs/dbraw/zinc/15/49/61/911154961.db2.gz RYQYHPMAXJNTRD-AWEZNQCLSA-N 2 0 269.433 1.706 10 0 CDAERP CCCC[NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001483466535 911155675 /nfs/dbraw/zinc/15/56/75/911155675.db2.gz DDXKEDUWRHXJDP-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CC1CC[NH+](CC(=O)N[C@@H](C[NH2+]CCCF)C2CC2)CC1 ZINC001483596836 911309559 /nfs/dbraw/zinc/30/95/59/911309559.db2.gz PWNQXBUAZLHBMU-HNNXBMFYSA-N 2 0 299.434 1.562 10 0 CDAERP COCC[NH2+]C1(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001483774333 914925443 /nfs/dbraw/zinc/92/54/43/914925443.db2.gz SLDOUVVGTPBWLZ-AWEZNQCLSA-N 2 0 297.443 1.136 10 0 CDAERP C[NH+](C)CC1(C(=O)N2CCC[C@H]2C[NH2+]C/C=C/Cl)CC1 ZINC001483941893 915216983 /nfs/dbraw/zinc/21/69/83/915216983.db2.gz GXBIEGLROVNVDN-GBVBUYCNSA-N 2 0 299.846 1.661 10 0 CDAERP C[NH+]1CCC(C[NH2+]CC[C@@H](O)C(F)(F)F)CC1 ZINC000717394984 930853035 /nfs/dbraw/zinc/85/30/35/930853035.db2.gz NVJAPHZYMXDTIM-SNVBAGLBSA-N 2 0 254.296 1.231 10 0 CDAERP CCC[N@@H+]1CCC[C@](CO)(NC(=O)CCCC[NH+](C)C)C1 ZINC001484448370 915790667 /nfs/dbraw/zinc/79/06/67/915790667.db2.gz UUAGQNZHKHYVEV-INIZCTEOSA-N 2 0 299.459 1.071 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CCF)C1 ZINC001484534445 915862174 /nfs/dbraw/zinc/86/21/74/915862174.db2.gz ZIHYPCBCRUJPPT-KBPBESRZSA-N 2 0 285.407 1.268 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001484722882 916084336 /nfs/dbraw/zinc/08/43/36/916084336.db2.gz KDHOPTDGORJABT-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC(C)C ZINC001485209219 916674495 /nfs/dbraw/zinc/67/44/95/916674495.db2.gz VAQFUWRFBONBQJ-OLZOCXBDSA-N 2 0 257.422 1.467 10 0 CDAERP CC(C)[N@H+](C)[C@@H](C)CNC(=O)CCCC[NH+](C)C ZINC001485378200 916915889 /nfs/dbraw/zinc/91/58/89/916915889.db2.gz UGCMVZKQOAZZLS-ZDUSSCGKSA-N 2 0 257.422 1.563 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@@H]2CCCC[N@@H+]2C)C1 ZINC001649301702 1169180320 /nfs/dbraw/zinc/18/03/20/1169180320.db2.gz ASCWKGLKVMHHRD-MELADBBJSA-N 2 0 282.432 1.110 10 0 CDAERP C[C@H](NC(=O)C[NH+]1CCCC1)C1C[NH+](CC2CCCC2)C1 ZINC001485537596 917067332 /nfs/dbraw/zinc/06/73/32/917067332.db2.gz PNTYIQCRDHNUEV-AWEZNQCLSA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]C[C@@H]1CCCOC1 ZINC001485960736 920627966 /nfs/dbraw/zinc/62/79/66/920627966.db2.gz LADANHLFYQGOFQ-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP COCC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001486460688 921024736 /nfs/dbraw/zinc/02/47/36/921024736.db2.gz ASUVVHFXOFDULX-YMAMQOFZSA-N 2 0 297.443 1.085 10 0 CDAERP CC[C@H](C(=O)N(C)C1CC([NH2+]CC2CC2)C1)[NH+](C)C ZINC001486481021 921057321 /nfs/dbraw/zinc/05/73/21/921057321.db2.gz XDLNMIBTOHZTAS-JXQTWKCFSA-N 2 0 267.417 1.316 10 0 CDAERP CCCCCC[N@H+](C)CC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000834771396 936704023 /nfs/dbraw/zinc/70/40/23/936704023.db2.gz UBHVDQQOGCZGPF-STQMWFEESA-N 2 0 255.406 1.447 10 0 CDAERP C[N@@H+](Cc1ccc(Cl)nc1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923301485 923727471 /nfs/dbraw/zinc/72/74/71/923727471.db2.gz UMLYMOLLNLDLBH-LBPRGKRZSA-N 2 0 281.787 1.545 10 0 CDAERP C[C@@H]1[C@H](C)SCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923314720 923730254 /nfs/dbraw/zinc/73/02/54/923730254.db2.gz CSRPQWOVPPOYIB-GRYCIOLGSA-N 2 0 256.415 1.191 10 0 CDAERP C[N@H+](C[C@H](O)Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923328622 923740712 /nfs/dbraw/zinc/74/07/12/923740712.db2.gz MMIUKPIGAJWLPH-FCLJQHQZSA-N 2 0 274.408 1.805 10 0 CDAERP C[C@@H]1CCN[C@@H](C)[C@H]1[NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923371253 923785925 /nfs/dbraw/zinc/78/59/25/923785925.db2.gz WNEYKMXFNSEXAG-YRUAKLFHSA-N 2 0 265.445 1.883 10 0 CDAERP CC(C)CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923496358 923872189 /nfs/dbraw/zinc/87/21/89/923872189.db2.gz BLPWTWNYKHCTQD-IHRRRGAJSA-N 2 0 269.433 1.454 10 0 CDAERP CCC[NH2+]C1CCC(NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001491370877 936899438 /nfs/dbraw/zinc/89/94/38/936899438.db2.gz FLYHHVWGNXFIJG-JXQTWKCFSA-N 2 0 269.433 1.754 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001491457264 936919951 /nfs/dbraw/zinc/91/99/51/936919951.db2.gz PGRNPVXPOBUICA-UKRRQHHQSA-N 2 0 279.428 1.389 10 0 CDAERP CCCC[NH2+][C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001491482738 936923317 /nfs/dbraw/zinc/92/33/17/936923317.db2.gz YRJPJJNIQHLZPL-GFCCVEGCSA-N 2 0 255.406 1.365 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCn2ccnc2C1 ZINC001491507005 936926853 /nfs/dbraw/zinc/92/68/53/936926853.db2.gz GHKOMLRUNDZSNB-ZIAGYGMSSA-N 2 0 290.411 1.506 10 0 CDAERP C[C@@H](CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CCC1CC1 ZINC001410436645 925673087 /nfs/dbraw/zinc/67/30/87/925673087.db2.gz NPNWQPIKGCJLCY-KGLIPLIRSA-N 2 0 281.444 1.565 10 0 CDAERP CCN(CC[NH2+]CC=C(C)C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001273298692 925762438 /nfs/dbraw/zinc/76/24/38/925762438.db2.gz VCCWPDXTWXCOHO-CQSZACIVSA-N 2 0 267.417 1.485 10 0 CDAERP CC[C@@H](C(=O)N1CCO[C@@H](C[NH2+]CCC(C)C)C1)[NH+](C)C ZINC001273342868 926118244 /nfs/dbraw/zinc/11/82/44/926118244.db2.gz QLUYRXGRJKHWBL-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cc(C)no1 ZINC001494950419 926138914 /nfs/dbraw/zinc/13/89/14/926138914.db2.gz RUQLJFUEYAIZMC-OCCSQVGLSA-N 2 0 294.399 1.062 10 0 CDAERP CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC)CC[C@@H]2C1)[NH+](CC)CC ZINC001489201855 926825588 /nfs/dbraw/zinc/82/55/88/926825588.db2.gz YUTVGXCYGBBNQQ-PMPSAXMXSA-N 2 0 295.471 1.907 10 0 CDAERP CCCC[N@H+](CC)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001490340707 927131283 /nfs/dbraw/zinc/13/12/83/927131283.db2.gz DAZMFOAGPRQDPM-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](CC1CCC1)C1CC1 ZINC001490368137 927133373 /nfs/dbraw/zinc/13/33/73/927133373.db2.gz VPSPIPPXVPDYCK-MRXNPFEDSA-N 2 0 293.455 1.851 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@@H]([NH2+]C/C=C/Cl)C1CC1 ZINC001490739713 927314942 /nfs/dbraw/zinc/31/49/42/927314942.db2.gz KVZPOOKYDRGFPQ-VUUYWXRKSA-N 2 0 285.819 1.319 10 0 CDAERP [NH3+]CCCCCCC(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000843499341 937156210 /nfs/dbraw/zinc/15/62/10/937156210.db2.gz ZZBJPYVCEZIKCN-GJZGRUSLSA-N 2 0 281.444 1.886 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CC[C@H]2C2CC2)CC1 ZINC000854231292 928172696 /nfs/dbraw/zinc/17/26/96/928172696.db2.gz IRDBBUODLOVQHL-HOTGVXAUSA-N 2 0 293.455 1.755 10 0 CDAERP COC(=O)C1=CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000858473849 928868905 /nfs/dbraw/zinc/86/89/05/928868905.db2.gz SYKQTBZGFINPDB-IHRRRGAJSA-N 2 0 264.369 1.465 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CNC(=S)NC[C@@H]1CCC[NH+]1C ZINC000863241051 929524379 /nfs/dbraw/zinc/52/43/79/929524379.db2.gz ZOWGPPZBVCFSHS-STQMWFEESA-N 2 0 284.473 1.029 10 0 CDAERP CC(C)C[NH2+]C/C=C\CNC(=O)C[C@@H](C)n1ccnc1 ZINC001274404294 931497942 /nfs/dbraw/zinc/49/79/42/931497942.db2.gz LOMHMXGIXHMHLD-ZRUQZJFASA-N 2 0 278.400 1.752 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC001143740987 931532180 /nfs/dbraw/zinc/53/21/80/931532180.db2.gz HFLVGYXGGILEIL-STQMWFEESA-N 2 0 255.406 1.127 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]([NH3+])C2CC2)[C@@H](C)C1 ZINC000844188454 931554289 /nfs/dbraw/zinc/55/42/89/931554289.db2.gz TZZUHDBNIVKSJM-UBHSHLNASA-N 2 0 267.417 1.303 10 0 CDAERP CC[C@@H](C)C[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001275720738 931979291 /nfs/dbraw/zinc/97/92/91/931979291.db2.gz MGLOELPYYCCMRO-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)=CC[N@@H+](C)[C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001275851195 932093733 /nfs/dbraw/zinc/09/37/33/932093733.db2.gz UXKKUBYZSXQEFV-AWEZNQCLSA-N 2 0 281.444 1.873 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H](CC[NH+](C)C)C2)C1 ZINC001412578528 932516190 /nfs/dbraw/zinc/51/61/90/932516190.db2.gz ZPAYHAIHNSHDOE-HOTGVXAUSA-N 2 0 295.471 1.909 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)CC[NH+](C)C)C[C@H]1C ZINC001412578707 932516922 /nfs/dbraw/zinc/51/69/22/932516922.db2.gz NQQHBIDSRLNRST-KFWWJZLASA-N 2 0 283.460 1.905 10 0 CDAERP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)[C@H]2C[C@@H]2C(=O)OC)C1 ZINC001118483212 937632482 /nfs/dbraw/zinc/63/24/82/937632482.db2.gz XJHVGOWHIVZNOV-SYQHCUMBSA-N 2 0 268.401 1.506 10 0 CDAERP [NH3+]CCCCNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC001118506990 937634836 /nfs/dbraw/zinc/63/48/36/937634836.db2.gz VUVMRGAHWLFOQU-AWEZNQCLSA-N 2 0 275.396 1.534 10 0 CDAERP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(C)(C)CO ZINC000925556512 932903837 /nfs/dbraw/zinc/90/38/37/932903837.db2.gz LMTNCTPOVSXVRU-CFVMTHIKSA-N 2 0 284.444 1.361 10 0 CDAERP C([NH2+][C@@H]1CC[NH2+]C12CCC2)[C@@H]1C[C@H]1C1CCOCC1 ZINC000925733718 932935025 /nfs/dbraw/zinc/93/50/25/932935025.db2.gz LTTKIRIELLVYSP-SOUVJXGZSA-N 2 0 264.413 1.923 10 0 CDAERP C[C@@H](Cc1ccsc1)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925811898 932940041 /nfs/dbraw/zinc/94/00/41/932940041.db2.gz UDGXLXUEPGRKTR-LBPRGKRZSA-N 2 0 267.442 1.692 10 0 CDAERP C[C@H]1CCC[C@@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925846330 932945816 /nfs/dbraw/zinc/94/58/16/932945816.db2.gz RTDDXQARGXLDNR-GJZGRUSLSA-N 2 0 253.434 1.840 10 0 CDAERP C([C@@H]1CCCC2(CCC2)O1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000929311685 933224853 /nfs/dbraw/zinc/22/48/53/933224853.db2.gz FXADJBJNNSMDOX-MJBXVCDLSA-N 2 0 250.386 1.629 10 0 CDAERP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CCC4(COC4)O3)CC[C@@H]21 ZINC000929846151 933277113 /nfs/dbraw/zinc/27/71/13/933277113.db2.gz GYKISNORMPDIPA-ILXRZTDVSA-N 2 0 280.412 1.351 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN(C3CCCC3)CC2)C1 ZINC000091546534 934867829 /nfs/dbraw/zinc/86/78/29/934867829.db2.gz FBKXFTHNNTXPFP-UONOGXRCSA-N 2 0 251.418 1.674 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000720804296 935248870 /nfs/dbraw/zinc/24/88/70/935248870.db2.gz ISLWWIHVQJGFEX-MELADBBJSA-N 2 0 256.390 1.112 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC001413337626 935992691 /nfs/dbraw/zinc/99/26/91/935992691.db2.gz SPHASANVEPMALJ-ZBFHGGJFSA-N 2 0 295.471 1.812 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1conc1C)[NH+](C)C ZINC001568677372 1169427028 /nfs/dbraw/zinc/42/70/28/1169427028.db2.gz BLPDVEXVWMSSPO-FZMZJTMJSA-N 2 0 296.415 1.308 10 0 CDAERP CCCCCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001329615340 940640833 /nfs/dbraw/zinc/64/08/33/940640833.db2.gz ZKLAQMFLDDQDQD-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]CCCF)C2CCCC2)C1 ZINC001278289675 945337152 /nfs/dbraw/zinc/33/71/52/945337152.db2.gz XSKWOIULXTXWMQ-GJZGRUSLSA-N 2 0 299.434 1.562 10 0 CDAERP C[NH+](C)C1(CNC(=O)c2conc2C[NH3+])CCCCC1 ZINC000407277316 941228368 /nfs/dbraw/zinc/22/83/68/941228368.db2.gz SCNFIMMNADZCGL-UHFFFAOYSA-N 2 0 280.372 1.128 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH2+]CCCF)CCC2)C1 ZINC001280534193 942458577 /nfs/dbraw/zinc/45/85/77/942458577.db2.gz RNKDNRKUEJOXDY-CYBMUJFWSA-N 2 0 285.407 1.316 10 0 CDAERP CCCCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCO1 ZINC001280567657 942463581 /nfs/dbraw/zinc/46/35/81/942463581.db2.gz RZAPLDZXLRKHNV-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CCOCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001280706993 942476370 /nfs/dbraw/zinc/47/63/70/942476370.db2.gz FISWHLHHXJHENO-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1C[NH+](CCCCCF)C1 ZINC001282693214 942740694 /nfs/dbraw/zinc/74/06/94/942740694.db2.gz MMQUBAJKLXFQTC-ZFWWWQNUSA-N 2 0 299.434 1.657 10 0 CDAERP CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001283676547 942963846 /nfs/dbraw/zinc/96/38/46/942963846.db2.gz BBDOQUIFQFZVAV-ZIAGYGMSSA-N 2 0 269.433 1.706 10 0 CDAERP CCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1Cc2cncn2C1 ZINC001649917065 1169495862 /nfs/dbraw/zinc/49/58/62/1169495862.db2.gz OILBXDXLZWXRFS-JSGCOSHPSA-N 2 0 276.384 1.189 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC1CC1 ZINC001277863913 943884758 /nfs/dbraw/zinc/88/47/58/943884758.db2.gz SPYKGGZGSWTGHI-JSGCOSHPSA-N 2 0 267.417 1.317 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)OCCC[NH+]1CCO[C@H](C)C1 ZINC001263605129 943908836 /nfs/dbraw/zinc/90/88/36/943908836.db2.gz OSRNIPITKOJIDI-CABCVRRESA-N 2 0 298.427 1.513 10 0 CDAERP CC(C)=CC[NH+]1CC[C@@H]1CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001263812208 943983319 /nfs/dbraw/zinc/98/33/19/943983319.db2.gz JGGFUMWHYGJHKD-JKSUJKDBSA-N 2 0 293.455 1.827 10 0 CDAERP CC[C@H](F)C[NH2+][C@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001277922149 944052331 /nfs/dbraw/zinc/05/23/31/944052331.db2.gz LYISLDXOOCXDJL-NEPJUHHUSA-N 2 0 261.385 1.123 10 0 CDAERP CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001264559368 944149587 /nfs/dbraw/zinc/14/95/87/944149587.db2.gz CZLJBAWEYIEOHO-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCCC[NH+](C)CC2CCC2)CC[N@@H+]1C ZINC001265026978 944207901 /nfs/dbraw/zinc/20/79/01/944207901.db2.gz BFILJZJEBYEMDJ-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](C(=O)N1CC[C@H]([NH2+]CCCC(C)C)C1)[NH+](C)C ZINC001265454525 944394044 /nfs/dbraw/zinc/39/40/44/944394044.db2.gz TWXVPWXRZWSUPQ-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+](C)C(C)C)C1 ZINC001265708921 944477225 /nfs/dbraw/zinc/47/72/25/944477225.db2.gz VYKKKZVXLVEHSL-KGLIPLIRSA-N 2 0 269.433 1.563 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CCC(C)(C)C)C1 ZINC001277997106 944540613 /nfs/dbraw/zinc/54/06/13/944540613.db2.gz IASNOSJAJITNMI-LSDHHAIUSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@H+](CCCNC(=O)C[C@@H]1CC[NH+](C)C1)C(C)C ZINC001266101160 944682442 /nfs/dbraw/zinc/68/24/42/944682442.db2.gz VTUWIFMXWFXBCN-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](CCF)C1CC1 ZINC001266174744 944731741 /nfs/dbraw/zinc/73/17/41/944731741.db2.gz SPRSINOCVWPGKC-HNNXBMFYSA-N 2 0 299.434 1.801 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC(C)C ZINC001568858895 1169521789 /nfs/dbraw/zinc/52/17/89/1169521789.db2.gz VCPBEIQHFQFKNM-LLYBFZRZSA-N 2 0 281.444 1.779 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000722526912 945038827 /nfs/dbraw/zinc/03/88/27/945038827.db2.gz SPWIGLLEGFHOPW-MGPQQGTHSA-N 2 0 267.417 1.032 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC001362378913 971209816 /nfs/dbraw/zinc/20/98/16/971209816.db2.gz ZLKWSXIHYXLNIB-UHFFFAOYSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]CC2CCC2)C1 ZINC001479393502 971317837 /nfs/dbraw/zinc/31/78/37/971317837.db2.gz ITEDMJQVPMZGDT-HDJSIYSDSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001479716606 971381306 /nfs/dbraw/zinc/38/13/06/971381306.db2.gz KXSALJSQJWDTKY-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001278399260 947560048 /nfs/dbraw/zinc/56/00/48/947560048.db2.gz WBTPKASLAUJCII-ZBFHGGJFSA-N 2 0 293.455 1.873 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NCCC[NH+](C)CCCF)C1 ZINC001479797043 971424081 /nfs/dbraw/zinc/42/40/81/971424081.db2.gz QIDDKYBPJGGFNZ-ZDUSSCGKSA-N 2 0 273.396 1.126 10 0 CDAERP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N3C[C@H]4CC[NH+](C)[C@H]4C3)C[N@@H+]2C1 ZINC001362713647 971553867 /nfs/dbraw/zinc/55/38/67/971553867.db2.gz NIVDOCAJEQOIQL-OWYFMNJBSA-N 2 0 291.439 1.269 10 0 CDAERP CC(C)=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001480115753 971583867 /nfs/dbraw/zinc/58/38/67/971583867.db2.gz PSLSNJGSHSEABI-GJZGRUSLSA-N 2 0 279.428 1.627 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001480138078 971598269 /nfs/dbraw/zinc/59/82/69/971598269.db2.gz FBLLLUJGFNETCY-AIEDFZFUSA-N 2 0 281.444 1.610 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2nocc2C)C1)[NH+](C)C ZINC001480157544 971607542 /nfs/dbraw/zinc/60/75/42/971607542.db2.gz AFYRHAIZQKHZSY-OBJOEFQTSA-N 2 0 294.399 1.060 10 0 CDAERP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001362800468 971630024 /nfs/dbraw/zinc/63/00/24/971630024.db2.gz ZXDBAGQOLPVYQE-KKUMJFAQSA-N 2 0 281.444 1.659 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CCF)C1 ZINC001480287388 971658819 /nfs/dbraw/zinc/65/88/19/971658819.db2.gz YMVCXKGDFCGGSF-CABCVRRESA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CCF)[NH+](C)C ZINC001480360385 971687089 /nfs/dbraw/zinc/68/70/89/971687089.db2.gz XLFCTOBYAIDMIT-UONOGXRCSA-N 2 0 287.423 1.513 10 0 CDAERP CCC[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)CC1(C)C ZINC001278684570 951683411 /nfs/dbraw/zinc/68/34/11/951683411.db2.gz GYSDNWZZCIYMOU-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP C[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001362985412 971787337 /nfs/dbraw/zinc/78/73/37/971787337.db2.gz IGUZVBHAAIGHCI-ZDUSSCGKSA-N 2 0 281.444 1.707 10 0 CDAERP CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001480647430 971824152 /nfs/dbraw/zinc/82/41/52/971824152.db2.gz AMMOZXCDBSDRHO-KBPBESRZSA-N 2 0 269.433 1.421 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CCCO ZINC001480794040 971882652 /nfs/dbraw/zinc/88/26/52/971882652.db2.gz UWOZWOBPPIOQAG-HUUCEWRRSA-N 2 0 299.459 1.116 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)C1 ZINC001363117505 971902599 /nfs/dbraw/zinc/90/25/99/971902599.db2.gz DDLRZDLBJFIZJZ-ZNMIVQPWSA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@H](C(=O)N1CC[C@@](C)(C[NH2+]C(C)C)C1)[NH+](C)C ZINC001324817798 953589453 /nfs/dbraw/zinc/58/94/53/953589453.db2.gz MTBTYAYJPHFXPX-HIFRSBDPSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001493252811 971996317 /nfs/dbraw/zinc/99/63/17/971996317.db2.gz ADWXCWYBKKJZOA-HOTGVXAUSA-N 2 0 295.471 1.812 10 0 CDAERP C[C@H]1C[C@@H](N(C)C(=O)NCCc2cn(C)cn2)CC[N@@H+]1C ZINC001364284864 954421896 /nfs/dbraw/zinc/42/18/96/954421896.db2.gz HNXNEAZEFUJERD-JSGCOSHPSA-N 2 0 293.415 1.087 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)Nc1cc(N(C)C)cc[nH+]1 ZINC001295560063 954700513 /nfs/dbraw/zinc/70/05/13/954700513.db2.gz QCGOMYFCKIYPAF-NSHDSACASA-N 2 0 264.373 1.674 10 0 CDAERP OC1(C[NH+]2CCCCC2)CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001363311848 972076522 /nfs/dbraw/zinc/07/65/22/972076522.db2.gz MCJNHQQITLGDSW-HNNXBMFYSA-N 2 0 282.428 1.336 10 0 CDAERP C[C@@H]1C[NH+](CCCNC(=O)[C@@H]2CCCC[C@H]2[NH3+])C[C@@H](C)O1 ZINC001328590576 955362072 /nfs/dbraw/zinc/36/20/72/955362072.db2.gz AWEUMXSDOCJFTL-KBUPBQIOSA-N 2 0 297.443 1.119 10 0 CDAERP O[C@@H]1CCCC[C@@H]1C[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001363331364 972090068 /nfs/dbraw/zinc/09/00/68/972090068.db2.gz ZUJNNRXVBXWMRR-RHSMWYFYSA-N 2 0 296.455 1.771 10 0 CDAERP CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C ZINC001421634875 955439919 /nfs/dbraw/zinc/43/99/19/955439919.db2.gz MFPXBQMKUSFLDA-LSDHHAIUSA-N 2 0 281.444 1.804 10 0 CDAERP CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001491833067 955456510 /nfs/dbraw/zinc/45/65/10/955456510.db2.gz WBJXCJVGEPWXIR-YVACAVLKSA-N 2 0 281.444 1.733 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@H](C[NH2+]C/C=C\Cl)C1 ZINC001491832733 955457428 /nfs/dbraw/zinc/45/74/28/955457428.db2.gz SWSADPKNYTTZOS-GCLPIYDQSA-N 2 0 273.808 1.129 10 0 CDAERP CC[NH2+]C[C@@H](C)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001421721754 955504806 /nfs/dbraw/zinc/50/48/06/955504806.db2.gz CWEJMKZJCCEXIX-DOMZBBRYSA-N 2 0 287.423 1.561 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)CCOCC)C1 ZINC001491959051 955545836 /nfs/dbraw/zinc/54/58/36/955545836.db2.gz IRYGVIBGWWDGHM-OAHLLOKOSA-N 2 0 299.459 1.288 10 0 CDAERP C[C@H](C[NH2+]C[C@H]1CCCCO1)N(C)C(=O)C[NH+]1CCCC1 ZINC001421983537 955687636 /nfs/dbraw/zinc/68/76/36/955687636.db2.gz BUPWJYYAAHDFNW-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001329114479 955696967 /nfs/dbraw/zinc/69/69/67/955696967.db2.gz ZZRGYHSPZNLNEJ-CHWSQXEVSA-N 2 0 255.406 1.387 10 0 CDAERP CCC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001422078161 955736895 /nfs/dbraw/zinc/73/68/95/955736895.db2.gz AUKOPSCKRHMDLX-LSDHHAIUSA-N 2 0 283.460 2.000 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CC1CC1 ZINC001329174914 955738040 /nfs/dbraw/zinc/73/80/40/955738040.db2.gz XIKRPDDSKQRGHF-NWDGAFQWSA-N 2 0 255.406 1.221 10 0 CDAERP CC[N@H+](C)[C@H]1CCN(C(=O)NCC[NH+]2CCC(C)(C)C2)C1 ZINC001365284228 955825152 /nfs/dbraw/zinc/82/51/52/955825152.db2.gz SYURYBFINWZZRR-AWEZNQCLSA-N 2 0 296.459 1.454 10 0 CDAERP C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@H]1CC[NH2+]CCF ZINC001316682839 955997360 /nfs/dbraw/zinc/99/73/60/955997360.db2.gz BVJSXFHFTZYRQI-GJZGRUSLSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1ccccn1 ZINC001422619583 956198674 /nfs/dbraw/zinc/19/86/74/956198674.db2.gz WRSWNIQIEUYSAI-CYBMUJFWSA-N 2 0 278.400 1.016 10 0 CDAERP CC[C@@H](C(=O)NCC[N@H+](C)CCC(C)C)[NH+](C)C ZINC001317467831 956342828 /nfs/dbraw/zinc/34/28/28/956342828.db2.gz ZJJGJDCJBQGUGD-ZDUSSCGKSA-N 2 0 257.422 1.421 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1CC ZINC001365864290 956415306 /nfs/dbraw/zinc/41/53/06/956415306.db2.gz BQYDTODHFSLPGW-UONOGXRCSA-N 2 0 281.444 1.707 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H]1[C@@H]2CCC[NH+](CC)[C@H]2C1(C)C ZINC001365877626 956416575 /nfs/dbraw/zinc/41/65/75/956416575.db2.gz SEJHTCKSASWTDW-NUEKZKHPSA-N 2 0 295.471 1.953 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCF)C2)C1 ZINC001330643284 956538307 /nfs/dbraw/zinc/53/83/07/956538307.db2.gz GCFCDVXXXFSCOZ-KKUMJFAQSA-N 2 0 299.434 1.562 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001366213331 956642566 /nfs/dbraw/zinc/64/25/66/956642566.db2.gz XFLNJRLEOOCSQN-CABCVRRESA-N 2 0 299.434 1.801 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1cccnc1 ZINC001366288523 956713885 /nfs/dbraw/zinc/71/38/85/956713885.db2.gz CDVSGLSBCXRONM-ZFWWWQNUSA-N 2 0 290.411 1.160 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]C/C=C\Cl ZINC001366313186 956731806 /nfs/dbraw/zinc/73/18/06/956731806.db2.gz BFKIIEJIKKVPJC-OXTPZFROSA-N 2 0 273.808 1.318 10 0 CDAERP C[C@@H](CCNC(=O)CC[NH+](C)C)[NH2+]Cc1ccccc1F ZINC001366487148 956866852 /nfs/dbraw/zinc/86/68/52/956866852.db2.gz LVLWTPWZLHJNCD-ZDUSSCGKSA-N 2 0 295.402 1.762 10 0 CDAERP C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1nccs1 ZINC001366512678 956894556 /nfs/dbraw/zinc/89/45/56/956894556.db2.gz XCIHSOFFTLOFGP-NEPJUHHUSA-N 2 0 296.440 1.079 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C/C=C/Cl)C1CC1 ZINC001316921770 957127146 /nfs/dbraw/zinc/12/71/46/957127146.db2.gz OWVJVYJLALOOHJ-SMDADKPZSA-N 2 0 299.846 1.804 10 0 CDAERP CC[C@@H](C(=O)N1CCO[C@H](C[NH2+]C(C)C)C1)[NH+](CC)CC ZINC001424232152 957162783 /nfs/dbraw/zinc/16/27/83/957162783.db2.gz UCCILRCNCMSLHY-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001366760723 957173437 /nfs/dbraw/zinc/17/34/37/957173437.db2.gz KTZAYBXDSZZPRS-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)CCCC(=O)N1CCC[C@]2(CC[N@H+](CCF)C2)C1 ZINC001424386984 957224505 /nfs/dbraw/zinc/22/45/05/957224505.db2.gz VGJJXNHDRCYYSA-MRXNPFEDSA-N 2 0 299.434 1.612 10 0 CDAERP CC/C=C\CC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001317065932 957239905 /nfs/dbraw/zinc/23/99/05/957239905.db2.gz WKSGILLJALTFLM-YVACAVLKSA-N 2 0 281.444 1.875 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C ZINC001424700535 957312313 /nfs/dbraw/zinc/31/23/13/957312313.db2.gz JEDZYJMTOCOADS-HUUCEWRRSA-N 2 0 281.444 1.804 10 0 CDAERP [NH3+]C[C@H](NC(=O)[C@@H]1CCCC[C@H]1[NH3+])C1CCCC1 ZINC001331889238 957317945 /nfs/dbraw/zinc/31/79/45/957317945.db2.gz NZWKZCCHJPBQQI-UPJWGTAASA-N 2 0 253.390 1.138 10 0 CDAERP CC(C)=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001332064684 957421215 /nfs/dbraw/zinc/42/12/15/957421215.db2.gz OPUJQKNJNZHUTM-LSDHHAIUSA-N 2 0 281.444 1.872 10 0 CDAERP CCC[NH2+][C@@H](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001317407776 957456868 /nfs/dbraw/zinc/45/68/68/957456868.db2.gz YOIVIIKHGGERTH-STQMWFEESA-N 2 0 255.406 1.223 10 0 CDAERP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CCC1 ZINC001317414799 957461557 /nfs/dbraw/zinc/46/15/57/957461557.db2.gz YOICIYGYISPPSI-TZMCWYRMSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)=CC[N@H+](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001317451966 957483540 /nfs/dbraw/zinc/48/35/40/957483540.db2.gz ZPBKTRDRAVCOBE-UHFFFAOYSA-N 2 0 279.428 1.629 10 0 CDAERP CC(C)=CC[NH2+]CCN(C)C(=O)C[NH+]1CCCC1 ZINC001317662177 957629254 /nfs/dbraw/zinc/62/92/54/957629254.db2.gz VNUOCWWPBONKRW-UHFFFAOYSA-N 2 0 253.390 1.096 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cccnc1 ZINC001367138275 957699549 /nfs/dbraw/zinc/69/95/49/957699549.db2.gz HTDPCKZVTZPKQW-CABCVRRESA-N 2 0 290.411 1.018 10 0 CDAERP COC[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001367373114 957974658 /nfs/dbraw/zinc/97/46/58/957974658.db2.gz HGIHYSLJXWAQHG-ZIAGYGMSSA-N 2 0 299.459 1.332 10 0 CDAERP COC[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001367373113 957974901 /nfs/dbraw/zinc/97/49/01/957974901.db2.gz HGIHYSLJXWAQHG-UONOGXRCSA-N 2 0 299.459 1.332 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NC2(C[NH2+]CCC3CC3)CCCC2)C1 ZINC001318667004 958219237 /nfs/dbraw/zinc/21/92/37/958219237.db2.gz ZZAODJMKEHLPSO-OAHLLOKOSA-N 2 0 293.455 1.757 10 0 CDAERP CC(C)OCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1C ZINC001367813006 958396197 /nfs/dbraw/zinc/39/61/97/958396197.db2.gz CYILLLNZXOWENF-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP CCC[N@@H+]1CCCC[C@@H]1C(=O)NCC12CC(C1)C[NH2+]2 ZINC001333639569 958470854 /nfs/dbraw/zinc/47/08/54/958470854.db2.gz KOFXXFCFJMQUJD-JVWICGRDSA-N 2 0 265.401 1.119 10 0 CDAERP CC(C)C[C@@H](C)C[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001367965169 958522338 /nfs/dbraw/zinc/52/23/38/958522338.db2.gz LIDFKIHVLUJPGN-HUUCEWRRSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@H](C[NH2+]CCCF)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001319524873 958609857 /nfs/dbraw/zinc/60/98/57/958609857.db2.gz YQNIJTJXCPQAED-MJBXVCDLSA-N 2 0 287.423 1.513 10 0 CDAERP C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C[NH2+]CC1CC1 ZINC001368351469 958784510 /nfs/dbraw/zinc/78/45/10/958784510.db2.gz NGBWOXYNVIMZAW-DZGCQCFKSA-N 2 0 293.455 1.422 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccccc1 ZINC001371139895 972383238 /nfs/dbraw/zinc/38/32/38/972383238.db2.gz NAWJGBOMFSKCPT-ZFWWWQNUSA-N 2 0 275.396 1.375 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001368494933 958903990 /nfs/dbraw/zinc/90/39/90/958903990.db2.gz IBHKLHJUUQNLBO-MELADBBJSA-N 2 0 299.434 1.561 10 0 CDAERP CN(CCC[N@H+](C)CC1CC1)C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001368568033 958971418 /nfs/dbraw/zinc/97/14/18/958971418.db2.gz MSTAWXOWLODGIY-KRWDZBQOSA-N 2 0 293.455 1.663 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCCCC[C@@H]([NH2+]CCF)C1 ZINC001368751195 959103417 /nfs/dbraw/zinc/10/34/17/959103417.db2.gz VAAJUJFWCRGVQP-CQSZACIVSA-N 2 0 287.423 1.659 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH]cn2)[C@H]1C ZINC001368785866 959122193 /nfs/dbraw/zinc/12/21/93/959122193.db2.gz QWJASBFGZBXVLQ-SCRDCRAPSA-N 2 0 278.400 1.577 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@@H](C)CC[NH2+]CCF)[NH+](C)C ZINC001320614322 959275064 /nfs/dbraw/zinc/27/50/64/959275064.db2.gz LDSGIROHDAULPQ-RYUDHWBXSA-N 2 0 261.385 1.027 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CC[NH2+]CC1CC(C)C1 ZINC001320643510 959288437 /nfs/dbraw/zinc/28/84/37/959288437.db2.gz FQBYIWIEBFAGOZ-SLTAFYQDSA-N 2 0 283.460 1.857 10 0 CDAERP CCCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001368952539 959318407 /nfs/dbraw/zinc/31/84/07/959318407.db2.gz DDSBLJFAPIZUPV-SOUVJXGZSA-N 2 0 283.460 1.953 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N(CC)CC[NH2+]CC2CC2)C1 ZINC001320819683 959408909 /nfs/dbraw/zinc/40/89/09/959408909.db2.gz KNAZOKRNQJYDCS-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP CC[C@H](C(=O)N(CC)CC[NH2+]CC=C(C)C)[NH+](C)C ZINC001320900565 959448768 /nfs/dbraw/zinc/44/87/68/959448768.db2.gz GLWIMNRWXSVSJS-CQSZACIVSA-N 2 0 269.433 1.731 10 0 CDAERP Cc1ncccc1C[NH2+]C/C=C/CNC(=O)CC[NH+](C)C ZINC001321220268 959660613 /nfs/dbraw/zinc/66/06/13/959660613.db2.gz BGCAAUZUBSCURB-SNAWJCMRSA-N 2 0 290.411 1.104 10 0 CDAERP O=C(NC/C=C\C[NH2+]CC1CC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001321285292 959697601 /nfs/dbraw/zinc/69/76/01/959697601.db2.gz KNAGOUMUAUJEKG-WWAHUKDKSA-N 2 0 291.439 1.675 10 0 CDAERP CCC(CC)C[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001321391759 959765317 /nfs/dbraw/zinc/76/53/17/959765317.db2.gz HSANACWXNWWJLS-LFAOLKIESA-N 2 0 281.444 1.636 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC/C=C/C[NH2+]Cc1ccns1 ZINC001321420945 959779933 /nfs/dbraw/zinc/77/99/33/959779933.db2.gz UZEOUEVYCUFIOP-SNAWJCMRSA-N 2 0 296.440 1.245 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1)[NH+](C)C ZINC001370052472 959975444 /nfs/dbraw/zinc/97/54/44/959975444.db2.gz YJVTVTZDJZOBFS-GJZGRUSLSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)CCC[NH2+]C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001321969698 960038874 /nfs/dbraw/zinc/03/88/74/960038874.db2.gz XKEMBYZCGAOWEX-AWEZNQCLSA-N 2 0 283.460 1.859 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]CCC3CC3)C2)CCC1 ZINC001370640091 960171342 /nfs/dbraw/zinc/17/13/42/960171342.db2.gz RTUPQZWINKYYDO-OKILXGFUSA-N 2 0 279.428 1.508 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001370640012 960171719 /nfs/dbraw/zinc/17/17/19/960171719.db2.gz FOZCUJNSYIKOMU-DMRZNYOFSA-N 2 0 293.455 1.611 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CCCOC ZINC001322306315 960177729 /nfs/dbraw/zinc/17/77/29/960177729.db2.gz JNMKFSOQKFTMJN-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP COC[C@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001322506136 960242496 /nfs/dbraw/zinc/24/24/96/960242496.db2.gz XDBQUVKRBNXGLN-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP Cc1cc(C[NH2+]CCCN(C)C(=O)[C@H]2CCC[N@@H+]2C)no1 ZINC001322649639 960286851 /nfs/dbraw/zinc/28/68/51/960286851.db2.gz ZEQOIDHYMFBOLY-CQSZACIVSA-N 2 0 294.399 1.015 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CCF)C1CC1 ZINC001323114767 960464260 /nfs/dbraw/zinc/46/42/60/960464260.db2.gz UTNYFHKWVYDWPA-KGLIPLIRSA-N 2 0 285.407 1.315 10 0 CDAERP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C1([NH+](C)C)CCCC1 ZINC001433790919 960617530 /nfs/dbraw/zinc/61/75/30/960617530.db2.gz HPWQOPVZKNIBDP-JSGCOSHPSA-N 2 0 279.428 1.460 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1CC1CCC1 ZINC001323358742 960679574 /nfs/dbraw/zinc/67/95/74/960679574.db2.gz XFVJDCFRLLGFMM-CQSZACIVSA-N 2 0 267.417 1.317 10 0 CDAERP CCC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH+](C)C ZINC001337236519 961048964 /nfs/dbraw/zinc/04/89/64/961048964.db2.gz BKMKNKJPPBAPAF-AWEZNQCLSA-N 2 0 269.433 1.661 10 0 CDAERP C[C@H]([NH2+]CCF)C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001418845843 961087778 /nfs/dbraw/zinc/08/77/78/961087778.db2.gz OKBZIJKSFXKNJI-KBPBESRZSA-N 2 0 299.434 1.514 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@H](CCNC(=O)Cc2c[nH]cn2)C1 ZINC001418903036 961148733 /nfs/dbraw/zinc/14/87/33/961148733.db2.gz CRJMNSJSCBCPRK-STQMWFEESA-N 2 0 296.390 1.529 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CCC[N@H+](CCC[C@@H](C)O)C1)[NH+](C)C ZINC001418957064 961193369 /nfs/dbraw/zinc/19/33/69/961193369.db2.gz BRZSPMXUZQJYAY-QLFBSQMISA-N 2 0 299.459 1.068 10 0 CDAERP CCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](CCC(C)C)C1 ZINC001419148637 961430738 /nfs/dbraw/zinc/43/07/38/961430738.db2.gz PYOICRJGXSKGIY-HNNXBMFYSA-N 2 0 283.460 1.907 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC001419375758 961640625 /nfs/dbraw/zinc/64/06/25/961640625.db2.gz LKCFHOCRHOYQIZ-LBPRGKRZSA-N 2 0 289.370 1.174 10 0 CDAERP C[N@H+](CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCC2)C1)C1CCC1 ZINC001419476515 961746859 /nfs/dbraw/zinc/74/68/59/961746859.db2.gz RPZRQGCXGSPMEW-GASCZTMLSA-N 2 0 293.455 1.898 10 0 CDAERP O=C(NCC1([NH2+]CC2CC2)CCCC1)C12CC[NH+](CC1)C2 ZINC001419624686 961882723 /nfs/dbraw/zinc/88/27/23/961882723.db2.gz YDQILZBYYWEXQZ-UHFFFAOYSA-N 2 0 291.439 1.511 10 0 CDAERP CN(CC[N@H+](C)C[C@H]1CCCCO1)C(=O)C[NH+]1CCCC1 ZINC001420053021 962424731 /nfs/dbraw/zinc/42/47/31/962424731.db2.gz WYXFXZVJAKUAPE-OAHLLOKOSA-N 2 0 297.443 1.042 10 0 CDAERP Cc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001437260852 962775892 /nfs/dbraw/zinc/77/58/92/962775892.db2.gz LXNFLIPETGLWRY-HOCLYGCPSA-N 2 0 289.423 1.541 10 0 CDAERP CC[C@@H](F)C[N@H+](CC)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001420422499 962889879 /nfs/dbraw/zinc/88/98/79/962889879.db2.gz LWULENAVUPFBQR-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001437456513 962920837 /nfs/dbraw/zinc/92/08/37/962920837.db2.gz ISXJFAICHMJNJJ-GXTWGEPZSA-N 2 0 285.407 1.124 10 0 CDAERP Cc1ccc(CC[N@@H+](C)CCNC(=O)CC[NH+](C)C)cc1 ZINC001437514859 962982627 /nfs/dbraw/zinc/98/26/27/962982627.db2.gz BABKNHQGAGYDHJ-UHFFFAOYSA-N 2 0 291.439 1.537 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH+](C)CCF)C1 ZINC001420936696 963367742 /nfs/dbraw/zinc/36/77/42/963367742.db2.gz HREVBUWRNPODFD-LSDHHAIUSA-N 2 0 299.434 1.609 10 0 CDAERP CCCC[N@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001420954524 963382721 /nfs/dbraw/zinc/38/27/21/963382721.db2.gz ZUPLGVGOALUHMF-JKSUJKDBSA-N 2 0 295.471 1.909 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CC[NH+](CCC2CC2)C1 ZINC001438250467 963384529 /nfs/dbraw/zinc/38/45/29/963384529.db2.gz FOEMVOMLSZJUAQ-HNNXBMFYSA-N 2 0 281.444 1.659 10 0 CDAERP C[C@@]1(NC(=O)C[NH+]2CCCC2)CC[N@H+](CCC2CC2)C1 ZINC001421219685 963506176 /nfs/dbraw/zinc/50/61/76/963506176.db2.gz PKMKNQVPKFRYLG-MRXNPFEDSA-N 2 0 279.428 1.463 10 0 CDAERP Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CC[NH+](C)C)cc1 ZINC001438675342 963523122 /nfs/dbraw/zinc/52/31/22/963523122.db2.gz QOWREZQWRWZCJI-HNNXBMFYSA-N 2 0 291.439 1.883 10 0 CDAERP CC[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CCOCC1 ZINC001421310949 963547560 /nfs/dbraw/zinc/54/75/60/963547560.db2.gz UQSCATGCCLLVLR-UHFFFAOYSA-N 2 0 297.443 1.136 10 0 CDAERP COC[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001438901132 963592946 /nfs/dbraw/zinc/59/29/46/963592946.db2.gz GKUZRIWSMXXCMA-ZNMIVQPWSA-N 2 0 299.459 1.142 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)C[NH2+]CC(C)C)C1 ZINC001439147226 963657171 /nfs/dbraw/zinc/65/71/71/963657171.db2.gz HXFZXENPBGXNFQ-HUUCEWRRSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@@H]([NH2+]C[C@H](C)NC(=O)CC[NH+](C)C)c1cccc(F)c1 ZINC001439245736 963689662 /nfs/dbraw/zinc/68/96/62/963689662.db2.gz OFFZARULDDTQET-QWHCGFSZSA-N 2 0 295.402 1.933 10 0 CDAERP CC[C@H](C(=O)NC[C@]1(C)CCC[N@H+](CCF)C1)[NH+](C)C ZINC001439948870 963902081 /nfs/dbraw/zinc/90/20/81/963902081.db2.gz LEBHLGLMAHCJPK-HIFRSBDPSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001440130376 963931679 /nfs/dbraw/zinc/93/16/79/963931679.db2.gz GYJUGNRRMNZFJB-LSDHHAIUSA-N 2 0 283.460 1.668 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]C/C=C\Cl)C2)C1 ZINC001440404206 964023592 /nfs/dbraw/zinc/02/35/92/964023592.db2.gz CRCBVSJOFVFNNL-IRLQHWJRSA-N 2 0 299.846 1.565 10 0 CDAERP Cc1oncc1C[NH2+][C@H](C)[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001440849536 964207761 /nfs/dbraw/zinc/20/77/61/964207761.db2.gz CGRKPWPEWJZDHE-VXGBXAGGSA-N 2 0 294.399 1.062 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)OCC[C@H]1CC[NH+](C)C1 ZINC001344063684 964223633 /nfs/dbraw/zinc/22/36/33/964223633.db2.gz REGLSOAYQCQVTP-ZIAGYGMSSA-N 2 0 268.401 1.744 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[N@H+](C)Cc1ccc(F)cc1 ZINC001440962773 964294830 /nfs/dbraw/zinc/29/48/30/964294830.db2.gz MXZUQQGELSNSCJ-ZDUSSCGKSA-N 2 0 295.402 1.714 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001441368830 964478349 /nfs/dbraw/zinc/47/83/49/964478349.db2.gz YYZRXDXJIZUGFE-AJNGGQMLSA-N 2 0 299.434 1.561 10 0 CDAERP CCC(CC)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001441483123 964541832 /nfs/dbraw/zinc/54/18/32/964541832.db2.gz LNERKXLEKHNHMV-DMRZNYOFSA-N 2 0 295.471 2.000 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001441505874 964558818 /nfs/dbraw/zinc/55/88/18/964558818.db2.gz PZCIJRAIIBRADX-GASCZTMLSA-N 2 0 293.386 1.514 10 0 CDAERP CC[C@H](C)C[NH2+][C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001442006883 964827096 /nfs/dbraw/zinc/82/70/96/964827096.db2.gz YNXCPOPOIVXYID-UONOGXRCSA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1ccccn1 ZINC001442070935 964856160 /nfs/dbraw/zinc/85/61/60/964856160.db2.gz XEFDZTMURARMFS-ZDUSSCGKSA-N 2 0 278.400 1.016 10 0 CDAERP CC1=CC[N@H+](CCNC(=O)CC[NH+]2CC[C@@H](F)C2)CC1 ZINC001556445560 965042413 /nfs/dbraw/zinc/04/24/13/965042413.db2.gz ZRWFJYFGMVKJIX-CQSZACIVSA-N 2 0 283.391 1.189 10 0 CDAERP C[C@@H]1C[C@H]2CC[C@H](C(=O)NCC[NH+]3CC=CCC3)C[N@@H+]2C1 ZINC001347018664 965331725 /nfs/dbraw/zinc/33/17/25/965331725.db2.gz OITCZFZCFCDSRO-OWCLPIDISA-N 2 0 291.439 1.485 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001444326946 965795628 /nfs/dbraw/zinc/79/56/28/965795628.db2.gz QSZXJWNWCKFXJQ-QWHCGFSZSA-N 2 0 287.423 1.561 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001444673419 965918955 /nfs/dbraw/zinc/91/89/55/965918955.db2.gz UCFYHCWKIBISRO-LSDHHAIUSA-N 2 0 283.460 1.907 10 0 CDAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCCC2)C1 ZINC001445061942 966083390 /nfs/dbraw/zinc/08/33/90/966083390.db2.gz ZHVXMSGWUCPSRG-AWEZNQCLSA-N 2 0 281.444 1.661 10 0 CDAERP CC[C@@H](C(=O)N[C@]1(C)CC[N@H+](CCCO)C1)[NH+](CC)CC ZINC001446560046 966585338 /nfs/dbraw/zinc/58/53/38/966585338.db2.gz LMCGYVAHZXVNQJ-GOEBONIOSA-N 2 0 299.459 1.070 10 0 CDAERP CC1([NH2+]CCF)CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001447574175 966822057 /nfs/dbraw/zinc/82/20/57/966822057.db2.gz YXOQNFOCIOHJLP-UHFFFAOYSA-N 2 0 299.434 1.803 10 0 CDAERP CC(C)[C@@H](CCN(C)C(=O)C[NH+]1CCCC1)[NH2+]CC1CC1 ZINC001448218248 967033852 /nfs/dbraw/zinc/03/38/52/967033852.db2.gz HOMAZYSAQCIRSQ-MRXNPFEDSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](C)C[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001448786866 967254201 /nfs/dbraw/zinc/25/42/01/967254201.db2.gz ZFMLEHQVOCGCSX-UONOGXRCSA-N 2 0 271.449 1.809 10 0 CDAERP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H](C)CC[NH+](C)C ZINC001456214510 968902105 /nfs/dbraw/zinc/90/21/05/968902105.db2.gz KLWYSDZJJHTTSR-LSDHHAIUSA-N 2 0 283.460 1.763 10 0 CDAERP CC(C)(C)[NH2+]CCC(=O)NC[C@@H]1C[NH+]2CCC1CC2 ZINC001456763222 969042958 /nfs/dbraw/zinc/04/29/58/969042958.db2.gz UMCGOLZPKMKMHL-CYBMUJFWSA-N 2 0 267.417 1.223 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[C@H]2C[NH+](C)C[C@@H]21 ZINC001458051121 969255089 /nfs/dbraw/zinc/25/50/89/969255089.db2.gz XOSBGIKOQZUVOT-BYNSBNAKSA-N 2 0 279.428 1.317 10 0 CDAERP CC[C@@](C)(O)C[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001460778869 969545124 /nfs/dbraw/zinc/54/51/24/969545124.db2.gz XJWHWBIBJCJNMV-OAHLLOKOSA-N 2 0 270.417 1.380 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@@H](C)O)[C@@H](C)C1 ZINC001473408455 969765565 /nfs/dbraw/zinc/76/55/65/969765565.db2.gz IOEXKGQVEIMBTO-YJNKXOJESA-N 2 0 272.433 1.482 10 0 CDAERP C[NH+](C)CC[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001471791479 970480928 /nfs/dbraw/zinc/48/09/28/970480928.db2.gz IEMYCAPLEBQPKF-CYBMUJFWSA-N 2 0 267.417 1.271 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)C1([NH+](C)C)CCCC1 ZINC001361791449 970534859 /nfs/dbraw/zinc/53/48/59/970534859.db2.gz GUDLVUPBFFXPBX-AWEZNQCLSA-N 2 0 281.444 1.851 10 0 CDAERP CC(C)C[C@H](CNC(=O)[C@H](C)CC[NH+](C)C)[NH+](C)C ZINC001361930329 970686362 /nfs/dbraw/zinc/68/63/62/970686362.db2.gz NIMYDLLULAURTA-ZIAGYGMSSA-N 2 0 271.449 1.667 10 0 CDAERP C[C@H](NC(=O)CC[N@@H+]1CC[C@H](F)C1)C(C)(C)C[NH+](C)C ZINC001361984224 970740870 /nfs/dbraw/zinc/74/08/70/970740870.db2.gz VCHXKJGNQONYCX-STQMWFEESA-N 2 0 287.423 1.513 10 0 CDAERP CC(C)[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001496129505 972807631 /nfs/dbraw/zinc/80/76/31/972807631.db2.gz GISWETUGPROKPA-CYBMUJFWSA-N 2 0 269.433 1.706 10 0 CDAERP CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001496277243 972870067 /nfs/dbraw/zinc/87/00/67/972870067.db2.gz XHUGMCZVAWZPIN-CHWSQXEVSA-N 2 0 257.422 1.467 10 0 CDAERP CC[N@H+](CCCF)CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001372430432 972952998 /nfs/dbraw/zinc/95/29/98/972952998.db2.gz QNZDBPNNTJCIPW-LSDHHAIUSA-N 2 0 299.434 1.801 10 0 CDAERP CC[C@@H](C(=O)N[C@@]1(C)CC[N@H+](CCCCOC)C1)[NH+](C)C ZINC001569651799 1169954180 /nfs/dbraw/zinc/95/41/80/1169954180.db2.gz WHBITBBBOYLVBS-HOCLYGCPSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)[NH2+]CCN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001372942587 973203407 /nfs/dbraw/zinc/20/34/07/973203407.db2.gz GALHSMVQSUTILS-HNNXBMFYSA-N 2 0 287.423 1.655 10 0 CDAERP CCN(CC[NH2+]CCCO)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001497463302 973357902 /nfs/dbraw/zinc/35/79/02/973357902.db2.gz COUGUURXWGJUTH-OAHLLOKOSA-N 2 0 299.459 1.071 10 0 CDAERP CC1CC[NH+](CC(=O)NC/C=C\C[NH2+]C/C=C\Cl)CC1 ZINC001497715233 973475837 /nfs/dbraw/zinc/47/58/37/973475837.db2.gz RXBSCZDAZMHGII-JXPISWCDSA-N 2 0 299.846 1.733 10 0 CDAERP CC(C)[NH+](C)CC(=O)N1CCC[C@H](C[N@@H+](C)C(C)C)C1 ZINC001418025686 973535889 /nfs/dbraw/zinc/53/58/89/973535889.db2.gz WMQGPXYENFJXDA-OAHLLOKOSA-N 2 0 283.460 1.905 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001418098899 973583887 /nfs/dbraw/zinc/58/38/87/973583887.db2.gz VWIKWKWDLVMNOL-YIYPIFLZSA-N 2 0 285.407 1.456 10 0 CDAERP CC[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CCC1CC1 ZINC001373819146 973657090 /nfs/dbraw/zinc/65/70/90/973657090.db2.gz DAJYJCIYVUTZTI-LSDHHAIUSA-N 2 0 281.444 1.613 10 0 CDAERP CCC(CC)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001373832041 973659834 /nfs/dbraw/zinc/65/98/34/973659834.db2.gz OQRBNVKXYQSHAI-CABCVRRESA-N 2 0 283.460 1.859 10 0 CDAERP C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CCC(C)(C)C ZINC001418226788 973680798 /nfs/dbraw/zinc/68/07/98/973680798.db2.gz MHEWGVLDGSSSFL-HIFRSBDPSA-N 2 0 295.471 1.859 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1)[NH+](C)C ZINC001418240305 973689405 /nfs/dbraw/zinc/68/94/05/973689405.db2.gz YKXOJDWLBCBIGH-UKRRQHHQSA-N 2 0 277.412 1.621 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CC([NH+]3CCCC3)C2)C1 ZINC001418407603 973802551 /nfs/dbraw/zinc/80/25/51/973802551.db2.gz WZAOAAPEDPBPJU-UONOGXRCSA-N 2 0 279.428 1.413 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)CC[NH+]2CC[C@@H](F)C2)C1 ZINC001418426128 973818417 /nfs/dbraw/zinc/81/84/17/973818417.db2.gz FNLUNOCDOHSFMC-ZIAGYGMSSA-N 2 0 299.434 1.657 10 0 CDAERP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccns1 ZINC001418433290 973821541 /nfs/dbraw/zinc/82/15/41/973821541.db2.gz PGDVMCZPKIZBCZ-NWDGAFQWSA-N 2 0 296.440 1.079 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C[NH2+]C/C=C/Cl)C1CC1)[NH+](C)C ZINC001498857906 974080550 /nfs/dbraw/zinc/08/05/50/974080550.db2.gz JULANOGIVQQNAT-DGYDABPTSA-N 2 0 287.835 1.564 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1CCC[N@H+](CCCF)C1)[NH+](C)C ZINC001376063064 974550009 /nfs/dbraw/zinc/55/00/09/974550009.db2.gz UBBARZHBEXPRDD-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001376062555 974551146 /nfs/dbraw/zinc/55/11/46/974551146.db2.gz PQCKBAUDSJFNKC-KBPBESRZSA-N 2 0 287.423 1.655 10 0 CDAERP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CCCC(C)C)C1)[NH+](C)C ZINC001376152692 974584153 /nfs/dbraw/zinc/58/41/53/974584153.db2.gz VWIPIYNSMHIPJL-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@@H]([NH2+]CCF)C1 ZINC001376462944 974668717 /nfs/dbraw/zinc/66/87/17/974668717.db2.gz JSIZKCAJOWRYIS-XQQFMLRXSA-N 2 0 271.380 1.067 10 0 CDAERP COC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001376460215 974668934 /nfs/dbraw/zinc/66/89/34/974668934.db2.gz FQWMWJYLEIYIFC-KBXIAJHMSA-N 2 0 297.443 1.133 10 0 CDAERP CC1CC(C[N@@H+]2CCC[C@H](CNC(=O)CC[NH+](C)C)C2)C1 ZINC001376541828 974684044 /nfs/dbraw/zinc/68/40/44/974684044.db2.gz OEJHOSJQXDWSPZ-HWOWSKLDSA-N 2 0 295.471 1.812 10 0 CDAERP Cc1ncoc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001505679501 974960808 /nfs/dbraw/zinc/96/08/08/974960808.db2.gz VRKDWYSUPFDRNM-NWDGAFQWSA-N 2 0 296.415 1.308 10 0 CDAERP COCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001377661362 975102734 /nfs/dbraw/zinc/10/27/34/975102734.db2.gz XWBHECREIPNYTG-GJZGRUSLSA-N 2 0 297.443 1.040 10 0 CDAERP C[C@H](NC(=O)CC[N@H+](C)C1CCCCC1)[C@H](C)[NH2+]CCO ZINC001377815579 975146744 /nfs/dbraw/zinc/14/67/44/975146744.db2.gz HQNALCXBMHOVJX-KBPBESRZSA-N 2 0 299.459 1.116 10 0 CDAERP Cc1cc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@@H+](C)C(C)C)on1 ZINC001377913148 975173197 /nfs/dbraw/zinc/17/31/97/975173197.db2.gz OURFTURADZIOQL-STQMWFEESA-N 2 0 296.415 1.306 10 0 CDAERP C[NH+](C)CC1(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC2CC2)CC1 ZINC001378037867 975215100 /nfs/dbraw/zinc/21/51/00/975215100.db2.gz OVBCQJSTMDAVFL-GJZGRUSLSA-N 2 0 291.439 1.413 10 0 CDAERP CC(C)CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001378040634 975216310 /nfs/dbraw/zinc/21/63/10/975216310.db2.gz IVURPDQEZNBFNM-ZBFHGGJFSA-N 2 0 295.471 1.811 10 0 CDAERP CCCCC[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001569764736 1169987131 /nfs/dbraw/zinc/98/71/31/1169987131.db2.gz DUGZJOXSFAZTIO-MRXNPFEDSA-N 2 0 299.459 1.070 10 0 CDAERP CC[C@@H](C(=O)N1CCC([N@H+](C)CCCOC)CC1)[NH+](C)C ZINC001506962736 975276406 /nfs/dbraw/zinc/27/64/06/975276406.db2.gz DKLJFLSKJAKYJF-HNNXBMFYSA-N 2 0 299.459 1.286 10 0 CDAERP C[C@H](CNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH+](C)CCCF ZINC001378215963 975290161 /nfs/dbraw/zinc/29/01/61/975290161.db2.gz HWJUMMVNNGDFDT-HIFRSBDPSA-N 2 0 285.407 1.268 10 0 CDAERP C[C@H]([NH2+]CCF)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001404397996 975379554 /nfs/dbraw/zinc/37/95/54/975379554.db2.gz HBCJBPHXXWIBBP-ZDUSSCGKSA-N 2 0 285.407 1.268 10 0 CDAERP CC[C@@H](C(=O)N[C@]12CCC[C@@H]1[N@H+](CCCF)CC2)[NH+](C)C ZINC001507350241 975426664 /nfs/dbraw/zinc/42/66/64/975426664.db2.gz LAKPXBOALUQOFQ-DZKIICNBSA-N 2 0 299.434 1.799 10 0 CDAERP CC(C)[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001378716189 975454402 /nfs/dbraw/zinc/45/44/02/975454402.db2.gz MNXOBHFNNMCBIQ-CQSZACIVSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001397093683 975460197 /nfs/dbraw/zinc/46/01/97/975460197.db2.gz CISXNXKTVZPKMP-SYQHCUMBSA-N 2 0 285.407 1.171 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCF)C2)C1 ZINC001397177253 975487885 /nfs/dbraw/zinc/48/78/85/975487885.db2.gz TVKFOOLMCSZKHX-BFHYXJOUSA-N 2 0 285.407 1.172 10 0 CDAERP CC[C@@H](C)C[NH+]1CC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001404923047 975543417 /nfs/dbraw/zinc/54/34/17/975543417.db2.gz PJIBMUCSRNCJQA-KGLIPLIRSA-N 2 0 281.444 1.422 10 0 CDAERP C[C@H](F)CC[N@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001378929681 975546538 /nfs/dbraw/zinc/54/65/38/975546538.db2.gz VWTXWJGLTAZKRA-DZGCQCFKSA-N 2 0 299.434 1.752 10 0 CDAERP CC(C)[NH2+][C@H]1C[C@@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001388680624 975551505 /nfs/dbraw/zinc/55/15/05/975551505.db2.gz HOKOFXDUVSEZQV-ZNMIVQPWSA-N 2 0 281.444 1.754 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]CCF)C(C)C ZINC001379000101 975583895 /nfs/dbraw/zinc/58/38/95/975583895.db2.gz MBPVZBSXBJBPGQ-UONOGXRCSA-N 2 0 287.423 1.561 10 0 CDAERP CC[C@@H](C(=O)N(C)C1CC([NH2+]CCF)C1)[NH+](CC)CC ZINC001508133315 975620712 /nfs/dbraw/zinc/62/07/12/975620712.db2.gz MOACDHDGCVXGKL-RUXDESIVSA-N 2 0 287.423 1.655 10 0 CDAERP CC(C)[NH+](C)CC(=O)NCC1=CC[N@H+](CC[C@@H](C)F)CC1 ZINC001508230731 975645098 /nfs/dbraw/zinc/64/50/98/975645098.db2.gz YKTRNYDPYVWEAG-CQSZACIVSA-N 2 0 299.434 1.823 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC2CC(C)C2)[C@@H]1C ZINC001397797403 975722328 /nfs/dbraw/zinc/72/23/28/975722328.db2.gz BRIZRQGHAHTNAJ-KNIAUWFNSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@@H]([NH2+]C[C@H](C)NC(=O)CC[NH+](C)C)c1ccccc1F ZINC001401699591 975807843 /nfs/dbraw/zinc/80/78/43/975807843.db2.gz MZFFLMYVQJJYPS-QWHCGFSZSA-N 2 0 295.402 1.933 10 0 CDAERP Cc1ccncc1C[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+](C)C ZINC001405848564 975903341 /nfs/dbraw/zinc/90/33/41/975903341.db2.gz IMGNKIPAGSOMPT-CQSZACIVSA-N 2 0 292.427 1.278 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@]12CCC[C@H]1[NH+](C(C)C)CC2 ZINC001379637135 975976051 /nfs/dbraw/zinc/97/60/51/975976051.db2.gz SJSCGMAJGJSOBV-GDBMZVCRSA-N 2 0 281.444 1.850 10 0 CDAERP C[C@H](C[N@H+](C)CCC1CC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001379760798 976058642 /nfs/dbraw/zinc/05/86/42/976058642.db2.gz FBCKUUPKOKYTAR-CYBMUJFWSA-N 2 0 279.428 1.319 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC(F)(F)F)C1 ZINC001389954513 976062851 /nfs/dbraw/zinc/06/28/51/976062851.db2.gz CGHSSTXYUPPIJG-OUAUKWLOSA-N 2 0 293.333 1.270 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CCC(F)(F)F)C1 ZINC001390009912 976083670 /nfs/dbraw/zinc/08/36/70/976083670.db2.gz QTQBJYUZNCSJOM-PHIMTYICSA-N 2 0 295.349 1.517 10 0 CDAERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC001398802264 976154748 /nfs/dbraw/zinc/15/47/48/976154748.db2.gz ZXHNMJLFJZAVBS-GDBMZVCRSA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001402214931 976183150 /nfs/dbraw/zinc/18/31/50/976183150.db2.gz SZLQZUVKXWQXOS-HOCLYGCPSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CC12CC[NH+](C(C)C)CC2)[NH+](C)C ZINC001402249806 976201640 /nfs/dbraw/zinc/20/16/40/976201640.db2.gz WUNAIEHPTIAGQH-KGLIPLIRSA-N 2 0 281.444 1.706 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccccc1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001406515608 976233537 /nfs/dbraw/zinc/23/35/37/976233537.db2.gz BACPJTCRMWJYCF-CABCVRRESA-N 2 0 289.423 1.623 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]([NH2+]CCC2CC2)C2CC2)C1 ZINC001402367359 976253627 /nfs/dbraw/zinc/25/36/27/976253627.db2.gz SDRKDEFIIBWXGB-GOEBONIOSA-N 2 0 293.455 1.613 10 0 CDAERP C[NH+](C)CC1(C(=O)N2CC3(C2)CC[NH+](CCF)CC3)CC1 ZINC001402497197 976317176 /nfs/dbraw/zinc/31/71/76/976317176.db2.gz GKWYPQCRCNVHKS-UHFFFAOYSA-N 2 0 297.418 1.222 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2)C1 ZINC001402514256 976329773 /nfs/dbraw/zinc/32/97/73/976329773.db2.gz VQEVPYMZLCEJBR-SHTZXODSSA-N 2 0 275.396 1.375 10 0 CDAERP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CCC(C)(C)C ZINC001390516392 976346481 /nfs/dbraw/zinc/34/64/81/976346481.db2.gz XXHCVABANGBYCG-ZIAGYGMSSA-N 2 0 283.460 1.859 10 0 CDAERP CC[C@@H](C[NH2+]C[C@]1(C)CCN(C(=O)CC[NH+](C)C)C1)OC ZINC001380420042 976416617 /nfs/dbraw/zinc/41/66/17/976416617.db2.gz ZTFRYCFBDFJNMH-HOCLYGCPSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NCC[C@H](C)[NH2+]CC1CCOCC1 ZINC001390735015 976464912 /nfs/dbraw/zinc/46/49/12/976464912.db2.gz RXWVGQINLPJXMX-AWEZNQCLSA-N 2 0 299.459 1.238 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001406897793 976466450 /nfs/dbraw/zinc/46/64/50/976466450.db2.gz GMBMGGUKKXWTNO-QWHCGFSZSA-N 2 0 271.380 1.021 10 0 CDAERP CC(C)[NH2+][C@H](C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001399429241 976478063 /nfs/dbraw/zinc/47/80/63/976478063.db2.gz HPOWNTZXYUXMQC-HUUCEWRRSA-N 2 0 283.460 2.000 10 0 CDAERP CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)CC ZINC001380759005 976539350 /nfs/dbraw/zinc/53/93/50/976539350.db2.gz RZAWGCSIFOIAHG-LSDHHAIUSA-N 2 0 281.444 1.804 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC1CCCC1 ZINC001402897289 976570070 /nfs/dbraw/zinc/57/00/70/976570070.db2.gz WQNBGTYKGCYXAX-GZBFAFLISA-N 2 0 281.444 1.611 10 0 CDAERP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1cncs1 ZINC001402973194 976633841 /nfs/dbraw/zinc/63/38/41/976633841.db2.gz CJPWBIQUKONEPZ-LLVKDONJSA-N 2 0 296.440 1.079 10 0 CDAERP C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)[NH2+]CC1CCC1 ZINC001403066901 976690620 /nfs/dbraw/zinc/69/06/20/976690620.db2.gz WNXHJCWPAYBGOV-QWHCGFSZSA-N 2 0 281.444 1.611 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CC[C@H](C)F ZINC001399826648 976694753 /nfs/dbraw/zinc/69/47/53/976694753.db2.gz MLSBJEGCOICVFT-STQMWFEESA-N 2 0 273.396 1.124 10 0 CDAERP CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)C(C)C ZINC001391125495 976704128 /nfs/dbraw/zinc/70/41/28/976704128.db2.gz RZPSBOUERVCMFI-CHWSQXEVSA-N 2 0 278.400 1.750 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCC[NH+]2CC2CC2)C1 ZINC001399883693 976713525 /nfs/dbraw/zinc/71/35/25/976713525.db2.gz YDPKIEUZYLCIPF-HIFRSBDPSA-N 2 0 279.428 1.319 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCC[NH+]2CC2CC2)C1 ZINC001399883690 976715846 /nfs/dbraw/zinc/71/58/46/976715846.db2.gz YDPKIEUZYLCIPF-DZGCQCFKSA-N 2 0 279.428 1.319 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]1CC1CCC1 ZINC001399890668 976725770 /nfs/dbraw/zinc/72/57/70/976725770.db2.gz FKBPSPYXPBFMIM-OAHLLOKOSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC1CC1 ZINC001403140148 976756158 /nfs/dbraw/zinc/75/61/58/976756158.db2.gz DQDIWCBFMMFRJC-HOCLYGCPSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@H](NC(=O)C12CCC[NH+]1CCC2)[C@H](C)[NH2+]C/C=C/Cl ZINC001381390996 976799695 /nfs/dbraw/zinc/79/96/95/976799695.db2.gz CPEMMLXLAWSESL-BVAIOKDQSA-N 2 0 299.846 1.850 10 0 CDAERP CC[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCCC1 ZINC001403284343 976853642 /nfs/dbraw/zinc/85/36/42/976853642.db2.gz ZHQSSPQHGYGFEQ-ZIAGYGMSSA-N 2 0 281.444 1.755 10 0 CDAERP CC[N@@H+]1CC[C@H](CCNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001400172102 976901901 /nfs/dbraw/zinc/90/19/01/976901901.db2.gz VYENWUANHNFNJY-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001403397967 976932957 /nfs/dbraw/zinc/93/29/57/976932957.db2.gz BWZDWTLOINGKCZ-QKDCVEJESA-N 2 0 279.428 1.176 10 0 CDAERP C[C@H](F)CC[NH2+][C@@H](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001408198990 976963101 /nfs/dbraw/zinc/96/31/01/976963101.db2.gz QMICDQSFDZAREL-STQMWFEESA-N 2 0 287.423 1.703 10 0 CDAERP CCC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001381721663 976991333 /nfs/dbraw/zinc/99/13/33/976991333.db2.gz TUERSBQKCGUQMQ-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP C[C@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cncs1 ZINC001403528411 977030159 /nfs/dbraw/zinc/03/01/59/977030159.db2.gz PZICNTKAUUTTRY-DGCLKSJQSA-N 2 0 296.440 1.174 10 0 CDAERP CN(C(=O)C[NH+]1CCCC1)[C@H](C[NH2+]CC1CC1)C1CC1 ZINC001382032638 977129300 /nfs/dbraw/zinc/12/93/00/977129300.db2.gz STQXCHYFEKFZAY-OAHLLOKOSA-N 2 0 279.428 1.319 10 0 CDAERP C[N@H+](CCNC(=O)C1CC[NH+](C)CC1)Cc1ccsc1 ZINC001403661676 977130178 /nfs/dbraw/zinc/13/01/78/977130178.db2.gz NXWJQRILUGSFDP-UHFFFAOYSA-N 2 0 295.452 1.638 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCC(C)(C)C ZINC001400914362 977241872 /nfs/dbraw/zinc/24/18/72/977241872.db2.gz DYOVLAGSDIWBOH-KGLIPLIRSA-N 2 0 283.460 1.859 10 0 CDAERP CC[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCC1 ZINC001400955524 977254977 /nfs/dbraw/zinc/25/49/77/977254977.db2.gz PWFLLAGYGXCHSI-KBPBESRZSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)C[N@H+](C)CCN(C(=O)[C@H]1CCC[NH+]1C)C(C)C ZINC001403997557 977298381 /nfs/dbraw/zinc/29/83/81/977298381.db2.gz DYQBVPRMOMPNFA-OAHLLOKOSA-N 2 0 283.460 1.905 10 0 CDAERP CCC[N@H+](CCNC(=O)[C@@]12CC[NH+](C1)CCC2)C(C)C ZINC001404182392 977364281 /nfs/dbraw/zinc/36/42/81/977364281.db2.gz KEQKGTLTRMDZTJ-INIZCTEOSA-N 2 0 281.444 1.709 10 0 CDAERP CN(CC[N@H+](C)CC1CCCC1)C(=O)CCC[NH+](C)C ZINC001392299352 977395642 /nfs/dbraw/zinc/39/56/42/977395642.db2.gz GHDLPIDNJHOKCB-UHFFFAOYSA-N 2 0 283.460 1.909 10 0 CDAERP C[C@H](C[NH2+]Cc1ccc(F)c(F)c1)NC(=O)CC[NH+](C)C ZINC001392502992 977463966 /nfs/dbraw/zinc/46/39/66/977463966.db2.gz ACBQEZWNOBKLLT-LLVKDONJSA-N 2 0 299.365 1.511 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1CCC1)C1CC1 ZINC001392784454 977597748 /nfs/dbraw/zinc/59/77/48/977597748.db2.gz HKFHKIMKTVZLOG-HOTGVXAUSA-N 2 0 293.455 1.755 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@](C)(C[NH2+]CC3CC3)C2)C1 ZINC001393171379 977722914 /nfs/dbraw/zinc/72/29/14/977722914.db2.gz VFAPPRQQZGOHHS-HOCLYGCPSA-N 2 0 279.428 1.176 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)C1C[NH+](CC2CCCC2)C1 ZINC001394251735 978118163 /nfs/dbraw/zinc/11/81/63/978118163.db2.gz NYVOXPIGXNDUQH-CYBMUJFWSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCCF)CC1(C)C)[NH+](C)C ZINC001394313375 978132170 /nfs/dbraw/zinc/13/21/70/978132170.db2.gz UVJZRCDJJHSDQE-CHWSQXEVSA-N 2 0 287.423 1.513 10 0 CDAERP CC[C@@H](C(=O)NCC1[C@H]2C[N@@H+](C/C=C\Cl)C[C@@H]12)[NH+](C)C ZINC001394342512 978136362 /nfs/dbraw/zinc/13/63/62/978136362.db2.gz PTXJKBUSYILSGM-CGDSTDFGSA-N 2 0 299.846 1.373 10 0 CDAERP CC(C)CC[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC001394730041 978243315 /nfs/dbraw/zinc/24/33/15/978243315.db2.gz XXNFMYACEQXLNU-CABCVRRESA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)C[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001394828412 978278052 /nfs/dbraw/zinc/27/80/52/978278052.db2.gz OXVJHLMIVBOWQY-KBPBESRZSA-N 2 0 283.460 1.715 10 0 CDAERP CC/C=C\CC[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001675042775 1174065368 /nfs/dbraw/zinc/06/53/68/1174065368.db2.gz PBUFTFOEKSNMEM-IYKSTZQJSA-N 2 0 281.444 1.875 10 0 CDAERP CC[NH+](CC)CCN(CC(C)C)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000091546770 1174298241 /nfs/dbraw/zinc/29/82/41/1174298241.db2.gz JBCNZJPOKVJVLJ-HUUCEWRRSA-N 2 0 283.460 1.940 10 0 CDAERP COCCCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001677386105 1174355574 /nfs/dbraw/zinc/35/55/74/1174355574.db2.gz NUBCCALDLHNBAC-NRXISQOPSA-N 2 0 297.443 1.086 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001571094598 1170334890 /nfs/dbraw/zinc/33/48/90/1170334890.db2.gz DJGZNLSVEFHYQW-RBSFLKMASA-N 2 0 279.428 1.531 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001656830488 1171886517 /nfs/dbraw/zinc/88/65/17/1171886517.db2.gz DVPSJUCWUHNBLS-KGLIPLIRSA-N 2 0 267.417 1.127 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCC[NH+](C)C1 ZINC000601270420 342547761 /nfs/dbraw/zinc/54/77/61/342547761.db2.gz QPOVKMCTRBVOFR-UONOGXRCSA-N 2 0 282.432 1.254 10 0 CDAERP Cc1cc(C)n2c(C[NH2+]CCC3(C[NH3+])CC3)cnc2n1 ZINC000650712547 398155947 /nfs/dbraw/zinc/15/59/47/398155947.db2.gz JSIOWVMSXZFORR-UHFFFAOYSA-N 2 0 273.384 1.565 10 0 CDAERP C[C@@H]1CC[N@H+](CCOC2CCOCC2)C[C@@H]1n1ccnc1 ZINC000625267363 342063031 /nfs/dbraw/zinc/06/30/31/342063031.db2.gz XLOURUXFQSBLBU-ZBFHGGJFSA-N 2 0 293.411 1.962 10 0 CDAERP C[NH+](C)C1(CNC(=O)C[C@@H]2CCC[NH2+]C2)CCCC1 ZINC000132468242 342069750 /nfs/dbraw/zinc/06/97/50/342069750.db2.gz SPEGKCQHTQZZPO-ZDUSSCGKSA-N 2 0 267.417 1.367 10 0 CDAERP [NH3+]CCN1CC[NH2+]C[C@@H]1c1cncc2ccccc21 ZINC000616605508 361824105 /nfs/dbraw/zinc/82/41/05/361824105.db2.gz ZJSLKPPVVUQAIH-OAHLLOKOSA-N 2 0 256.353 1.140 10 0 CDAERP Cc1cc(C[NH+]2CCC3(C[C@H]([NH+](C)C)CO3)CC2)n(C)n1 ZINC000096089944 185094560 /nfs/dbraw/zinc/09/45/60/185094560.db2.gz VEAHQAHRMZPKOU-HNNXBMFYSA-N 2 0 292.427 1.414 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC000617003341 342600825 /nfs/dbraw/zinc/60/08/25/342600825.db2.gz ZVSTZRVITZIXDQ-UONOGXRCSA-N 2 0 281.444 1.565 10 0 CDAERP CO[C@H]1C[C@@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000624309583 342150925 /nfs/dbraw/zinc/15/09/25/342150925.db2.gz RHLAWVMMGLLXDP-OTVXOJSOSA-N 2 0 252.402 1.875 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000592471016 342698215 /nfs/dbraw/zinc/69/82/15/342698215.db2.gz RVKXPUMKQNRTAA-ARILJUKYSA-N 2 0 280.412 1.696 10 0 CDAERP O=C(C[NH+](C1CC1)C1CC1)NC1CC[NH+](C2CC2)CC1 ZINC000625837053 342203249 /nfs/dbraw/zinc/20/32/49/342203249.db2.gz DAJPPAFGPGUKHT-UHFFFAOYSA-N 2 0 277.412 1.356 10 0 CDAERP COc1cc2c(c(C[NH2+]CCOCCC[NH3+])c1)O[C@@H](C)C2 ZINC000629399608 361936474 /nfs/dbraw/zinc/93/64/74/361936474.db2.gz ILTFVPBODJRPJX-LBPRGKRZSA-N 2 0 294.395 1.474 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000629402732 361942049 /nfs/dbraw/zinc/94/20/49/361942049.db2.gz DRIWBQKESLVVEI-AWEZNQCLSA-N 2 0 268.788 1.633 10 0 CDAERP C[C@H](CNC(=O)NCCC1(C[NH3+])CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000652128334 539036243 /nfs/dbraw/zinc/03/62/43/539036243.db2.gz WZCZNDBPSBPSBH-ZIAGYGMSSA-N 2 0 296.459 1.535 10 0 CDAERP CC[C@@H](C[NH3+])C1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000309954567 539031402 /nfs/dbraw/zinc/03/14/02/539031402.db2.gz HYHBEWJTUVMWEJ-HNNXBMFYSA-N 2 0 262.397 1.998 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@H]([NH3+])CCSC ZINC000593915001 342856672 /nfs/dbraw/zinc/85/66/72/342856672.db2.gz SNZABIQZALQJFP-CYBMUJFWSA-N 2 0 281.425 1.103 10 0 CDAERP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000594936795 342977425 /nfs/dbraw/zinc/97/74/25/342977425.db2.gz DQIMYCJXUDGQRY-HZSPNIEDSA-N 2 0 282.428 1.896 10 0 CDAERP C[C@H](CC[S@](C)=O)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000594932456 342975698 /nfs/dbraw/zinc/97/56/98/342975698.db2.gz QEYRCGJZHIRRJK-ODXCJYRJSA-N 2 0 292.408 1.514 10 0 CDAERP CCC1(N2CCOCC2)CC[NH+](CCCC(=O)NC)CC1 ZINC000626089101 342301411 /nfs/dbraw/zinc/30/14/11/342301411.db2.gz AOAMUVLTVNXFEG-UHFFFAOYSA-N 2 0 297.443 1.089 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000594921720 342987471 /nfs/dbraw/zinc/98/74/71/342987471.db2.gz RWHGBALLIJZSDR-KBUPBQIOSA-N 2 0 282.428 1.894 10 0 CDAERP CSCC[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000171631219 362026311 /nfs/dbraw/zinc/02/63/11/362026311.db2.gz KPPRCRWULSSPNM-LBPRGKRZSA-N 2 0 260.447 1.374 10 0 CDAERP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]C2CCC(C[NH3+])CC2)CC1=O ZINC000567647620 362036763 /nfs/dbraw/zinc/03/67/63/362036763.db2.gz AUCVNRKWDKPEDJ-DQRRXLOISA-N 2 0 265.401 1.103 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCc1ccc(OC)c(F)c1 ZINC000422702912 536850421 /nfs/dbraw/zinc/85/04/21/536850421.db2.gz GLVDRSHDFKIART-ZDUSSCGKSA-N 2 0 284.375 1.720 10 0 CDAERP Nc1nc(NCCC[NH+]2CCCCC2)c2c([nH+]1)CCCC2 ZINC000645102480 362116763 /nfs/dbraw/zinc/11/67/63/362116763.db2.gz UTVXAIOMUKZMQP-UHFFFAOYSA-N 2 0 289.427 1.478 10 0 CDAERP CC[C@H](C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)[NH+](C)C ZINC000126531026 187245660 /nfs/dbraw/zinc/24/56/60/187245660.db2.gz FAJPVQPBBGIPHY-OAHLLOKOSA-N 2 0 295.402 1.844 10 0 CDAERP COC(=O)C12CC(C1)C[N@@H+]2CC[C@H]1CCC[NH2+]C1 ZINC000595903892 343187981 /nfs/dbraw/zinc/18/79/81/343187981.db2.gz UDJIQPICYOONMY-LKSINWNRSA-N 2 0 252.358 1.014 10 0 CDAERP COCC1CCC([NH2+]CC2([NH3+])CCOCC2)CC1 ZINC000629522057 362141707 /nfs/dbraw/zinc/14/17/07/362141707.db2.gz WOMVZRQUDCMGMB-UHFFFAOYSA-N 2 0 256.390 1.289 10 0 CDAERP CCO[C@H]1C[C@@H]([NH2+]CCOCC[NH2+]C)C12CCC2 ZINC000629529519 362157361 /nfs/dbraw/zinc/15/73/61/362157361.db2.gz GBFIUNVNSXQLLD-OLZOCXBDSA-N 2 0 256.390 1.160 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+]CCOCC[NH2+]C)C12CCCC2 ZINC000629529483 362158021 /nfs/dbraw/zinc/15/80/21/362158021.db2.gz DXECGYSUVJVOTQ-UONOGXRCSA-N 2 0 270.417 1.550 10 0 CDAERP C[NH2+]CCOCC[NH2+]C1CCc2ccccc2CC1 ZINC000629530966 362160557 /nfs/dbraw/zinc/16/05/57/362160557.db2.gz WEFZISJUCCHQHT-UHFFFAOYSA-N 2 0 262.397 1.760 10 0 CDAERP CCO[C@H](C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+])C1CC1 ZINC000629527710 362152833 /nfs/dbraw/zinc/15/28/33/362152833.db2.gz CZUVEEUHLJUDDU-HUUCEWRRSA-N 2 0 297.443 1.121 10 0 CDAERP C[C@@H](CO)[C@H](C)[NH2+]Cc1ccc(-n2ccnc2)nc1 ZINC000084664335 342380297 /nfs/dbraw/zinc/38/02/97/342380297.db2.gz TXNQSVYCOHLLQC-RYUDHWBXSA-N 2 0 260.341 1.374 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1nc(C)sc1C ZINC000629530110 362161638 /nfs/dbraw/zinc/16/16/38/362161638.db2.gz VPVBBMBRVVAEBE-VIFPVBQESA-N 2 0 257.403 1.647 10 0 CDAERP CCCN(C(=O)c1ccc(C[NH3+])cc1)C1CC[NH2+]CC1 ZINC000163313101 342440846 /nfs/dbraw/zinc/44/08/46/342440846.db2.gz PANGRSQUCNGCHQ-UHFFFAOYSA-N 2 0 275.396 1.750 10 0 CDAERP CCC[C@@H](C(=O)OCC)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000336812399 362212389 /nfs/dbraw/zinc/21/23/89/362212389.db2.gz AENFTKJRBMECTI-ZFWWWQNUSA-N 2 0 268.401 1.746 10 0 CDAERP CCc1c[nH]c(CC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2CC)n1 ZINC000635630498 362217260 /nfs/dbraw/zinc/21/72/60/362217260.db2.gz OJBMOARUUGYGGM-UONOGXRCSA-N 2 0 290.411 1.600 10 0 CDAERP COC(=O)c1oc(C[NH2+]CC2CC[NH+](C)CC2)cc1C ZINC000597055203 343442848 /nfs/dbraw/zinc/44/28/48/343442848.db2.gz CTRGURVTTZEJPJ-UHFFFAOYSA-N 2 0 280.368 1.806 10 0 CDAERP [NH3+][C@@H](CCC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000250818792 344051027 /nfs/dbraw/zinc/05/10/27/344051027.db2.gz QKNIWPAFDNNBDH-HOTGVXAUSA-N 2 0 287.407 1.773 10 0 CDAERP CN(C(=O)[C@@H]1CCCC[C@@]1(C)[NH3+])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000263271500 362415571 /nfs/dbraw/zinc/41/55/71/362415571.db2.gz SGEYRUZZNNQOAR-OFQRWUPVSA-N 2 0 279.428 1.589 10 0 CDAERP CN(C(=O)[C@@H]1CCCC[C@@]1(C)[NH3+])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000263271498 362415975 /nfs/dbraw/zinc/41/59/75/362415975.db2.gz SGEYRUZZNNQOAR-IJEWVQPXSA-N 2 0 279.428 1.589 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC[NH2+]1 ZINC000645221461 362450062 /nfs/dbraw/zinc/45/00/62/362450062.db2.gz NMQPTLJPZXYVLX-KBPBESRZSA-N 2 0 288.395 1.118 10 0 CDAERP C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000262614832 344694250 /nfs/dbraw/zinc/69/42/50/344694250.db2.gz CMJWRJWUQLREJM-QLFBSQMISA-N 2 0 281.444 1.742 10 0 CDAERP C[C@@H](CNC(=O)[C@]1(C)CCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000121562044 344795174 /nfs/dbraw/zinc/79/51/74/344795174.db2.gz FFCZCDMUXWGRAN-YOEHRIQHSA-N 2 0 289.423 1.765 10 0 CDAERP c1cnc(N[C@@H]2CC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)nc1 ZINC000571443375 362528451 /nfs/dbraw/zinc/52/84/51/362528451.db2.gz AZMBPUDZMOFDBD-ZIAGYGMSSA-N 2 0 275.400 1.353 10 0 CDAERP CCN(C(=O)[C@@H](C)Cc1c[nH]cn1)[C@@H]1CC[N@H+](C)C1 ZINC000617561647 345856319 /nfs/dbraw/zinc/85/63/19/345856319.db2.gz PQTTUICAYRJLEK-WCQYABFASA-N 2 0 264.373 1.141 10 0 CDAERP CC(C)[C@@H]1C[C@@H]1C(=O)NCCN(C)CCC[NH+](C)C ZINC000617764761 345960634 /nfs/dbraw/zinc/96/06/34/345960634.db2.gz FKMRPSYUKOPBCD-KBPBESRZSA-N 2 0 269.433 1.278 10 0 CDAERP C[N@@H+]1CC[C@@H](NC[C@@H]2CC[NH+](C3CC3)C2)CC1(C)C ZINC000623356526 346083916 /nfs/dbraw/zinc/08/39/16/346083916.db2.gz VKVOAUVCSYWJQC-UONOGXRCSA-N 2 0 265.445 1.933 10 0 CDAERP C[C@H](CN1CCOCC1)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623358190 346086703 /nfs/dbraw/zinc/08/67/03/346086703.db2.gz SHWIEGXKDPZDRD-ZIAGYGMSSA-N 2 0 269.433 1.170 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000085369736 179039918 /nfs/dbraw/zinc/03/99/18/179039918.db2.gz PMQWWYKVYFBZMN-HUUCEWRRSA-N 2 0 281.444 1.837 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCC[C@@H]1[NH3+])c1ccccc1 ZINC000085370698 179040742 /nfs/dbraw/zinc/04/07/42/179040742.db2.gz UAMWPBZUWPNUAY-JYJNAYRXSA-N 2 0 289.423 1.923 10 0 CDAERP C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000085371885 179041819 /nfs/dbraw/zinc/04/18/19/179041819.db2.gz MDZTVXOIGXZPEF-HUUCEWRRSA-N 2 0 275.396 1.492 10 0 CDAERP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000085630990 179108122 /nfs/dbraw/zinc/10/81/22/179108122.db2.gz QHRACFIATWKKSY-ZNMIVQPWSA-N 2 0 295.471 1.416 10 0 CDAERP CC[NH+](CC)CCCCNC(=O)COC1CCC([NH3+])CC1 ZINC000563201380 293308562 /nfs/dbraw/zinc/30/85/62/293308562.db2.gz RFOKWXACEUZTGZ-UHFFFAOYSA-N 2 0 299.459 1.511 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](C[C@](C)(O)C(C)=O)CC1 ZINC000450264964 362807583 /nfs/dbraw/zinc/80/75/83/362807583.db2.gz VVZCLTPACQHSPN-HNNXBMFYSA-N 2 0 270.417 1.380 10 0 CDAERP CCCN(CC[NH+](C)C)Cc1cccc(NN)[nH+]1 ZINC000086116032 179234967 /nfs/dbraw/zinc/23/49/67/179234967.db2.gz BPHQBXXVROHBTG-UHFFFAOYSA-N 2 0 251.378 1.141 10 0 CDAERP CCC1(CC)CN([C@@H]2CC[N@@H+](C3CC3)C2)CC[NH2+]1 ZINC000086145996 179238908 /nfs/dbraw/zinc/23/89/08/179238908.db2.gz RNPHYSXBXHPPKJ-CQSZACIVSA-N 2 0 251.418 1.687 10 0 CDAERP CC[C@@H]1C[NH2+][C@@H](C2CC2)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086182606 179247873 /nfs/dbraw/zinc/24/78/73/179247873.db2.gz DFRGWNPWKWLUKW-BZUAXINKSA-N 2 0 263.429 1.543 10 0 CDAERP CC[C@@H]1C[NH2+]C(C)(C)CN1[C@@H]1CCC[N@H+](CC)C1 ZINC000086225446 179253007 /nfs/dbraw/zinc/25/30/07/179253007.db2.gz QZMVSCYDPKIHBE-ZIAGYGMSSA-N 2 0 253.434 1.933 10 0 CDAERP CC[C@H]1C[NH2+][C@@H](C2CC2)CN1C[C@@H]1CCC[N@H+](C)C1 ZINC000086259240 179258559 /nfs/dbraw/zinc/25/85/59/179258559.db2.gz KLPMPBHMNHDKER-VNQPRFMTSA-N 2 0 265.445 1.791 10 0 CDAERP CC(C)[C@@H]1C[NH2+][C@@H](C2CC2)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086259611 179258689 /nfs/dbraw/zinc/25/86/89/179258689.db2.gz NDDATNJYOWZBGR-ZACQAIPSSA-N 2 0 277.456 1.932 10 0 CDAERP CC[C@H]1C[NH2+]C(C)(C)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086259670 179259192 /nfs/dbraw/zinc/25/91/92/179259192.db2.gz LCCJVSICZANBRE-GXTWGEPZSA-N 2 0 251.418 1.686 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3nc[nH]c3C2)CC1(C)C ZINC000623527725 347617057 /nfs/dbraw/zinc/61/70/57/347617057.db2.gz DYGZEBGWNFRDDO-NEPJUHHUSA-N 2 0 262.401 1.729 10 0 CDAERP C[N@@H+]1CC[C@@H](NC2CC[NH+]([C@H]3CCOC3)CC2)CC1(C)C ZINC000623572943 347640107 /nfs/dbraw/zinc/64/01/07/347640107.db2.gz RVOXCRRJQRFLBR-CVEARBPZSA-N 2 0 295.471 1.702 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCC2(O)CCOCC2)CC1(C)C ZINC000623521091 347614429 /nfs/dbraw/zinc/61/44/29/347614429.db2.gz IGMRCDCOLWSPKC-ZDUSSCGKSA-N 2 0 270.417 1.380 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCOC(F)(F)F)[C@H]2CCC[C@H]21 ZINC000353670731 290218859 /nfs/dbraw/zinc/21/88/59/290218859.db2.gz AXEJZGVFZUGEAU-OUAUKWLOSA-N 2 0 266.307 1.985 10 0 CDAERP COC[C@H](C)C[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000682158234 482614797 /nfs/dbraw/zinc/61/47/97/482614797.db2.gz IZFHLMKEEIDKSV-ZIAGYGMSSA-N 2 0 269.433 1.027 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000352159848 362937312 /nfs/dbraw/zinc/93/73/12/362937312.db2.gz CUCLOAMNZGGGOW-KBPBESRZSA-N 2 0 267.417 1.461 10 0 CDAERP C[N@H+](CCNC(=O)C1CC[NH+](C)CC1)C1CCCCC1 ZINC000073086521 349149916 /nfs/dbraw/zinc/14/99/16/349149916.db2.gz AMOKOKJFPCYRNN-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@@H](c1ccccc1)N1CC[C@H]([NH2+][C@H]2C[C@H](C(N)=O)C2)C1 ZINC000623662992 349394116 /nfs/dbraw/zinc/39/41/16/349394116.db2.gz TUDWYYMPHIDZNX-TUUVXOQKSA-N 2 0 287.407 1.675 10 0 CDAERP CC(C)[NH2+]CC1CC[NH+](CCC(=O)NC2CC2)CC1 ZINC000104412933 185992837 /nfs/dbraw/zinc/99/28/37/185992837.db2.gz JQDDVITXFOEAHF-UHFFFAOYSA-N 2 0 267.417 1.365 10 0 CDAERP CCO[C@@H](C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)C1CC1 ZINC000629536461 362951108 /nfs/dbraw/zinc/95/11/08/362951108.db2.gz HLLKCGQNOWWBOL-KKUMJFAQSA-N 2 0 252.402 1.862 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000620550605 350251522 /nfs/dbraw/zinc/25/15/22/350251522.db2.gz OMUSIBGXAYADEI-STQMWFEESA-N 2 0 270.421 1.110 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@H]1CCCc2ccccc2C1 ZINC000629539346 362956755 /nfs/dbraw/zinc/95/67/55/362956755.db2.gz PXQMISAILSHSRW-INIZCTEOSA-N 2 0 262.397 1.889 10 0 CDAERP C[C@@H]([NH2+]CCOCCC[NH3+])c1ccc2c(c1)OCC(=O)N2 ZINC000629540671 362963809 /nfs/dbraw/zinc/96/38/09/362963809.db2.gz WJTSWAUZLROCIA-LLVKDONJSA-N 2 0 293.367 1.034 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000629545762 362970202 /nfs/dbraw/zinc/97/02/02/362970202.db2.gz QYEFWKGEHSOGJW-IGQOVBAYSA-N 2 0 262.401 1.786 10 0 CDAERP Cn1c2cc(C[NH2+][C@H]3CCCC[C@@H]3C[NH3+])ccc2oc1=O ZINC000629547493 362974717 /nfs/dbraw/zinc/97/47/17/362974717.db2.gz KMONKGMWTZMIMP-OLZOCXBDSA-N 2 0 289.379 1.739 10 0 CDAERP O=C(CC[C@H]1CCC[NH2+]C1)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000621667685 350703654 /nfs/dbraw/zinc/70/36/54/350703654.db2.gz JKPNZXLQFWWNFR-ZIAGYGMSSA-N 2 0 279.428 1.557 10 0 CDAERP CCn1nccc1CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000621775478 350772356 /nfs/dbraw/zinc/77/23/56/350772356.db2.gz PVXPCEWSKWBUTC-HOCLYGCPSA-N 2 0 276.428 1.910 10 0 CDAERP CC(C)CCOCCN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584502 363049623 /nfs/dbraw/zinc/04/96/23/363049623.db2.gz ABOPXZKNCYWUII-GASCZTMLSA-N 2 0 254.418 1.981 10 0 CDAERP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H](C)C(=O)N(C)C)C2)[nH+]1 ZINC000151109894 363054294 /nfs/dbraw/zinc/05/42/94/363054294.db2.gz ZUMYARSSZIWYID-KBPBESRZSA-N 2 0 290.411 1.601 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C2CC2)[C@H]2CNCCO2)C1 ZINC000422746974 535176950 /nfs/dbraw/zinc/17/69/50/535176950.db2.gz XUTYJQFCFVMNQU-DJIMGWMZSA-N 2 0 295.471 1.463 10 0 CDAERP CC[C@@H](C(=O)NCc1ccc([C@H](C)[NH3+])cc1)[NH+](C)C ZINC000629612090 363203227 /nfs/dbraw/zinc/20/32/27/363203227.db2.gz RZCCWFBWLXOAJJ-FZMZJTMJSA-N 2 0 263.385 1.663 10 0 CDAERP CCC[C@H]([NH3+])C(=O)N1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000396393889 366093251 /nfs/dbraw/zinc/09/32/51/366093251.db2.gz UJRKOYPURVFGHC-ZBFHGGJFSA-N 2 0 289.423 1.847 10 0 CDAERP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)C2(OC)CCOCC2)C1 ZINC000453099172 363283693 /nfs/dbraw/zinc/28/36/93/363283693.db2.gz QKRUFSIBZTZPST-GJZGRUSLSA-N 2 0 284.444 1.892 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000273737317 192285396 /nfs/dbraw/zinc/28/53/96/192285396.db2.gz RNJSSURRGBOMJA-ZDUSSCGKSA-N 2 0 290.411 1.704 10 0 CDAERP COc1cccc([C@@H](CNC(=O)CC[C@@H](C)[NH3+])[NH+](C)C)c1 ZINC000070314659 356881806 /nfs/dbraw/zinc/88/18/06/356881806.db2.gz SZTOXILJHFJJOD-IUODEOHRSA-N 2 0 293.411 1.542 10 0 CDAERP C[N@H+](C[C@H](O)COCc1ccccc1)C[C@@H]1CC[NH+](C)C1 ZINC000070380104 356891317 /nfs/dbraw/zinc/89/13/17/356891317.db2.gz UKQIRIGCXWYQAX-SJORKVTESA-N 2 0 292.423 1.448 10 0 CDAERP [NH3+]CCN1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 ZINC000065490613 357544373 /nfs/dbraw/zinc/54/43/73/357544373.db2.gz SLHPXDFGZLHPCN-DLBZAZTESA-N 2 0 270.376 1.949 10 0 CDAERP Cc1cc(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)ccn1 ZINC000367667731 358175247 /nfs/dbraw/zinc/17/52/47/358175247.db2.gz CZKLMJAGYFUVBQ-OAHLLOKOSA-N 2 0 279.359 1.963 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@@H]1CCCCCC[C@@H]1[NH3+])C2 ZINC000634750202 358234227 /nfs/dbraw/zinc/23/42/27/358234227.db2.gz PMNKPUAKSATBKD-WTTBNOFXSA-N 2 0 293.455 1.742 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]2COCC[C@H]21 ZINC000659996821 482805333 /nfs/dbraw/zinc/80/53/33/482805333.db2.gz DOZUVTFRQAHHAJ-QLFBSQMISA-N 2 0 270.417 1.188 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000566171842 358274727 /nfs/dbraw/zinc/27/47/27/358274727.db2.gz VEUJHYPJYBMLIJ-ILXRZTDVSA-N 2 0 281.444 1.885 10 0 CDAERP Cc1ccc(O)c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000130513519 358309801 /nfs/dbraw/zinc/30/98/01/358309801.db2.gz GMXUZUJHXNSTSA-XQQFMLRXSA-N 2 0 261.369 1.655 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000571657657 366389847 /nfs/dbraw/zinc/38/98/47/366389847.db2.gz HHNHAJQLDDRGGE-RDBSUJKOSA-N 2 0 282.432 1.016 10 0 CDAERP C[N@@H+]1C[C@H]2CCN(CCC[NH+]3CCCCC3)[C@H]2C1 ZINC000644736747 366491922 /nfs/dbraw/zinc/49/19/22/366491922.db2.gz UHLSYBHNKBDBAL-CABCVRRESA-N 2 0 251.418 1.498 10 0 CDAERP C[C@]1(CN2CC[NH+](CCc3ccccc3)CC2)CC[NH2+]C1 ZINC000261869428 359073006 /nfs/dbraw/zinc/07/30/06/359073006.db2.gz ONVXZJDIMAYNKD-SFHVURJKSA-N 2 0 287.451 1.846 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)CC[C@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000261875351 359074132 /nfs/dbraw/zinc/07/41/32/359074132.db2.gz RDJBITKMESKNPA-HZSPNIEDSA-N 2 0 267.417 1.317 10 0 CDAERP COC(=O)CC1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261906057 359085258 /nfs/dbraw/zinc/08/52/58/359085258.db2.gz WZUALQTULXDVQR-AWEZNQCLSA-N 2 0 254.374 1.261 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C[N@@H+]1C1CC1 ZINC000346886859 359099348 /nfs/dbraw/zinc/09/93/48/359099348.db2.gz DBMTUVIZJWOSPB-OCCSQVGLSA-N 2 0 279.428 1.460 10 0 CDAERP CCCC(=O)NC[C@@H]1CCC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261954897 359102355 /nfs/dbraw/zinc/10/23/55/359102355.db2.gz GOPVADVDTFYZSC-GOEBONIOSA-N 2 0 281.444 1.614 10 0 CDAERP C[C@H]1C[NH2+]CC[C@H]1NCc1cncc(Br)c1 ZINC000335256366 359125906 /nfs/dbraw/zinc/12/59/06/359125906.db2.gz OSMDHKGKPKEXFB-JOYOIKCWSA-N 2 0 284.201 1.932 10 0 CDAERP CC[NH+](CC)CCN(CCOC)C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262336014 359160326 /nfs/dbraw/zinc/16/03/26/359160326.db2.gz FOAVASHJCBPYAW-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)[NH+](CCNC(=O)CC1CC[NH+](C)CC1)C(C)C ZINC000347541534 359429508 /nfs/dbraw/zinc/42/95/08/359429508.db2.gz NMYWIHGUIJKCAM-UHFFFAOYSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@H](O)C[N@H+](Cc1ccccc1)C[C@]1(C)CC[NH2+]C1 ZINC000564975717 359551085 /nfs/dbraw/zinc/55/10/85/359551085.db2.gz MGQSCTQHGTXVMA-GOEBONIOSA-N 2 0 262.397 1.869 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCCN(c2ccccc2)C1=O ZINC000422743893 359657490 /nfs/dbraw/zinc/65/74/90/359657490.db2.gz SBWXUBXYOFTFPF-KCQAQPDRSA-N 2 0 275.396 1.897 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC[NH2+]C2CC2)[C@H](C)C1 ZINC000637297162 359663909 /nfs/dbraw/zinc/66/39/09/359663909.db2.gz DEIHACZSODXZCO-TZMCWYRMSA-N 2 0 282.432 1.110 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000297253380 200126498 /nfs/dbraw/zinc/12/64/98/200126498.db2.gz OPGGQGNAKVHWJF-HNNXBMFYSA-N 2 0 286.379 1.825 10 0 CDAERP CC1(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CCC1 ZINC000422924464 359678868 /nfs/dbraw/zinc/67/88/68/359678868.db2.gz YLRFPLZYPQGFGN-MELADBBJSA-N 2 0 252.402 1.923 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000422995697 359705149 /nfs/dbraw/zinc/70/51/49/359705149.db2.gz YVWSZCHAGGYHKM-RKTXRCNFSA-N 2 0 274.408 1.916 10 0 CDAERP C[C@H](N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)C1C[NH2+]C1 ZINC000423009687 359738380 /nfs/dbraw/zinc/73/83/80/359738380.db2.gz DJRYIYWNGWTZKJ-VBNZEHGJSA-N 2 0 259.397 1.629 10 0 CDAERP CN1CCN(C(=O)CC[NH2+][C@@H]2CC[C@H]2C(C)(C)C)CC1 ZINC000348099618 359834540 /nfs/dbraw/zinc/83/45/40/359834540.db2.gz CBPJTFVRGGQPCX-ZIAGYGMSSA-N 2 0 281.444 1.565 10 0 CDAERP C[NH2+]C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000366666586 283496985 /nfs/dbraw/zinc/49/69/85/283496985.db2.gz DLBKMHBUAIJJQA-YUTCNCBUSA-N 2 0 265.401 1.118 10 0 CDAERP C(C1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1)[NH+]1CCCC1 ZINC000062031663 359951389 /nfs/dbraw/zinc/95/13/89/359951389.db2.gz LYSGTPJRCUHDKB-MRXNPFEDSA-N 3 0 265.445 1.794 10 0 CDAERP CC(C)[N@@H+]1CCCN(C(=O)[C@@](C)([NH3+])c2ccccc2)CC1 ZINC000335519861 360302787 /nfs/dbraw/zinc/30/27/87/360302787.db2.gz AYAUCFRDESOHPJ-KRWDZBQOSA-N 2 0 289.423 1.803 10 0 CDAERP [NH3+]C[C@H]1c2ccccc2CCN1CC[C@@H]1CCC[NH2+]C1 ZINC000515301092 360470716 /nfs/dbraw/zinc/47/07/16/360470716.db2.gz NCFQNKIERNXLQI-YOEHRIQHSA-N 2 0 273.424 1.934 10 0 CDAERP C[N@@H+]1CC[C@H](NC[C@@H]2CCCC[NH2+]2)[C@@H]2CCC[C@H]21 ZINC000643502716 360474118 /nfs/dbraw/zinc/47/41/18/360474118.db2.gz OPODIAUTAZXRBM-ZQDZILKHSA-N 2 0 251.418 1.591 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)NCC2([NH3+])CCCCC2)CC[N@@H+]1C ZINC000335609482 360587877 /nfs/dbraw/zinc/58/78/77/360587877.db2.gz XDYXKTKKBPGYME-KGLIPLIRSA-N 2 0 296.459 1.772 10 0 CDAERP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000417809286 360779518 /nfs/dbraw/zinc/77/95/18/360779518.db2.gz GYDJBHAUHFUJIZ-QWHCGFSZSA-N 2 0 269.433 1.596 10 0 CDAERP c1ccc(CC[N@@H+]2CC[C@H](CN3CCOCC3)C2)cc1 ZINC000129508431 360849361 /nfs/dbraw/zinc/84/93/61/360849361.db2.gz FQVDTOHYSQMPKC-KRWDZBQOSA-N 2 0 274.408 1.883 10 0 CDAERP CN(C)c1nccc(N2CC[C@@]3(C2)CCC[N@H+](C)C3)n1 ZINC000338739711 360999563 /nfs/dbraw/zinc/99/95/63/360999563.db2.gz CVWMHNKWOKCMMP-HNNXBMFYSA-N 2 0 275.400 1.465 10 0 CDAERP C[C@@H]([NH3+])c1ccc(C(=O)N2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000423747569 296029686 /nfs/dbraw/zinc/02/96/86/296029686.db2.gz SPGDKHNOOPVDDA-IUODEOHRSA-N 2 0 275.396 1.873 10 0 CDAERP COCC[NH2+]C1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000566351640 370689484 /nfs/dbraw/zinc/68/94/84/370689484.db2.gz UJXUAYLFIAFBPL-CQSZACIVSA-N 2 0 256.390 1.256 10 0 CDAERP C[C@H](O)[C@@H](NC[C@@H](O)C[N@H+](C)C1CC1)c1ccccc1F ZINC000520583161 361545376 /nfs/dbraw/zinc/54/53/76/361545376.db2.gz JCRYSBBQZCFVJJ-NORZTCDRSA-N 2 0 296.386 1.292 10 0 CDAERP CN1CC[C@H](NC(=O)C2([NH3+])CC2)[C@H]1c1ccc(Cl)cc1 ZINC000336632456 363902229 /nfs/dbraw/zinc/90/22/29/363902229.db2.gz OTPORBUGYZVAGU-QWHCGFSZSA-N 2 0 293.798 1.693 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC1CC[NH+](C2CC2)CC1 ZINC000459383605 364220882 /nfs/dbraw/zinc/22/08/82/364220882.db2.gz GMONVQZOFPINGU-CYBMUJFWSA-N 2 0 253.434 1.933 10 0 CDAERP Cn1cncc1CC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000459506883 364243315 /nfs/dbraw/zinc/24/33/15/364243315.db2.gz IQDVPPGDYDBLBV-BZUAXINKSA-N 2 0 277.412 1.978 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCCN2CCOCC2)[C@H](C)C1 ZINC000174772012 364272016 /nfs/dbraw/zinc/27/20/16/364272016.db2.gz SNYLMUJYZZKRTF-HZPDHXFCSA-N 2 0 283.460 1.371 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)CC[C@H](C)[NH3+])C1 ZINC000248869834 364324407 /nfs/dbraw/zinc/32/44/07/364324407.db2.gz OGNZIBBQKODXNW-STQMWFEESA-N 2 0 255.406 1.208 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCCC[NH+]2C2CC2)C1 ZINC000582250620 364882735 /nfs/dbraw/zinc/88/27/35/364882735.db2.gz XHNCHLMFFHVRFO-UKRRQHHQSA-N 2 0 279.428 1.461 10 0 CDAERP COC[C@@H](C)C[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000188044903 364937423 /nfs/dbraw/zinc/93/74/23/364937423.db2.gz IAOIFXYKLJAPDY-INIZCTEOSA-N 2 0 297.487 1.809 10 0 CDAERP CCCC[C@@H](C[NH3+])NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000566786997 370813633 /nfs/dbraw/zinc/81/36/33/370813633.db2.gz MAQUBSMCKLNPHK-DZGCQCFKSA-N 2 0 282.432 1.289 10 0 CDAERP C[C@H]([NH2+]CCn1cc(Br)cn1)[C@@H]1CC[NH2+]C1 ZINC000400361157 366951566 /nfs/dbraw/zinc/95/15/66/366951566.db2.gz NQQNORGICVHQLG-VHSXEESVSA-N 2 0 287.205 1.233 10 0 CDAERP CC(C)n1ccc(C[C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)n1 ZINC000414822205 366955978 /nfs/dbraw/zinc/95/59/78/366955978.db2.gz CJYQSLFFZYPQPX-KGLIPLIRSA-N 2 0 264.417 1.984 10 0 CDAERP C(C[C@@H]1CCC[NH2+]C1)[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000414832642 241408765 /nfs/dbraw/zinc/40/87/65/241408765.db2.gz FJGAPVWSPJGXGU-CAOSSQGBSA-N 3 0 265.445 1.886 10 0 CDAERP CCN(CC[NH3+])C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000626973463 367116539 /nfs/dbraw/zinc/11/65/39/367116539.db2.gz WBMWLZRGLUDHSU-BETUJISGSA-N 2 0 270.421 1.240 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000626992070 367189655 /nfs/dbraw/zinc/18/96/55/367189655.db2.gz OZFSOWOAVRNQJZ-CHWSQXEVSA-N 2 0 270.421 1.158 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000220090128 367276755 /nfs/dbraw/zinc/27/67/55/367276755.db2.gz WPQQQQGPYBAZTO-STQMWFEESA-N 2 0 269.433 1.611 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H](C)c1nccn1CC ZINC000627052585 367311100 /nfs/dbraw/zinc/31/11/00/367311100.db2.gz REVODPBPVWCFDY-GRYCIOLGSA-N 2 0 279.388 1.404 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000627166067 367599291 /nfs/dbraw/zinc/59/92/91/367599291.db2.gz ONLDJZHHZLIIIV-RQJABVFESA-N 2 0 282.432 1.109 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000627166065 367600214 /nfs/dbraw/zinc/60/02/14/367600214.db2.gz ONLDJZHHZLIIIV-FQUUOJAGSA-N 2 0 282.432 1.109 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000627164584 367597005 /nfs/dbraw/zinc/59/70/05/367597005.db2.gz QUJQHBQIAQGCBO-VHDGCEQUSA-N 2 0 296.459 1.499 10 0 CDAERP CCC(CC)[C@H](CNC(=O)N[C@@H](C)[C@@H](C)[NH3+])[NH+]1CCCC1 ZINC000416958506 242242235 /nfs/dbraw/zinc/24/22/35/242242235.db2.gz PBXPHTIAAWTYAU-IPYPFGDCSA-N 2 0 298.475 1.922 10 0 CDAERP C[C@H]1[C@H]([NH3+])CCN1C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000416888351 242212595 /nfs/dbraw/zinc/21/25/95/242212595.db2.gz OQXVSAOXZFITHA-SWLSCSKDSA-N 2 0 290.411 1.379 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H](CN[C@@H]2C[NH+](C)C[C@H]2C)C1 ZINC000358335167 367613345 /nfs/dbraw/zinc/61/33/45/367613345.db2.gz ARADHNFLAKVTDU-BZUAXINKSA-N 2 0 267.461 1.894 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000417008668 242265267 /nfs/dbraw/zinc/26/52/67/242265267.db2.gz IYNKNAFQKDHANN-QEJZJMRPSA-N 2 0 296.459 1.628 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000417012250 242266451 /nfs/dbraw/zinc/26/64/51/242266451.db2.gz WNIYQIPTMPVFRB-CHWSQXEVSA-N 2 0 270.421 1.110 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000417027044 242277636 /nfs/dbraw/zinc/27/76/36/242277636.db2.gz ZLVIWOMMDXAREW-SGMGOOAPSA-N 2 0 284.448 1.532 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCCC[NH3+] ZINC000417032307 242282678 /nfs/dbraw/zinc/28/26/78/242282678.db2.gz FAKKVUMQGAMQKU-CYBMUJFWSA-N 2 0 270.421 1.289 10 0 CDAERP CC(C)[NH2+]C1CCN(C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627199424 367687731 /nfs/dbraw/zinc/68/77/31/367687731.db2.gz XDMPAXDMUKAZNL-OCCSQVGLSA-N 2 0 282.432 1.299 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)C[C@@H]1C ZINC000627199888 367690901 /nfs/dbraw/zinc/69/09/01/367690901.db2.gz FPXZSYIJZPNXPD-BARDWOONSA-N 2 0 296.459 1.641 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000627238571 367800898 /nfs/dbraw/zinc/80/08/98/367800898.db2.gz IXHJBTCYXVWONX-BFHYXJOUSA-N 2 0 280.416 1.007 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638070756 368019109 /nfs/dbraw/zinc/01/91/09/368019109.db2.gz WBRMHLZJBJRROT-YPMHNXCESA-N 2 0 251.374 1.025 10 0 CDAERP CC(C)CC[C@H]([NH3+])C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000638071141 368024889 /nfs/dbraw/zinc/02/48/89/368024889.db2.gz FSXLPKYWPATBFL-KBPBESRZSA-N 2 0 271.449 1.842 10 0 CDAERP C[C@@H]1CN(C(=O)NC[C@@H]([NH3+])c2ccccc2)[C@H](C)C[NH2+]1 ZINC000418454966 243100081 /nfs/dbraw/zinc/10/00/81/243100081.db2.gz QYDCXLSBJOCNRC-YRGRVCCFSA-N 2 0 276.384 1.078 10 0 CDAERP [NH3+]C[C@@H]1CC[C@@H](NC(=O)NC[C@H]([NH3+])c2ccccc2)C1 ZINC000418457398 243101126 /nfs/dbraw/zinc/10/11/26/243101126.db2.gz VNONSBAYBQUAGM-BNOWGMLFSA-N 2 0 276.384 1.113 10 0 CDAERP C[C@H](C[NH3+])CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000418471233 243117796 /nfs/dbraw/zinc/11/77/96/243117796.db2.gz VNUXAKLDTVPLEB-MNOVXSKESA-N 2 0 264.373 1.100 10 0 CDAERP CCCN(C(=O)N[C@H]1C[NH2+]CC[C@H]1C)C1CC[NH2+]CC1 ZINC000418586062 243242991 /nfs/dbraw/zinc/24/29/91/243242991.db2.gz ZFBXRFSQEXKFNV-OCCSQVGLSA-N 2 0 282.432 1.158 10 0 CDAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418569263 243223058 /nfs/dbraw/zinc/22/30/58/243223058.db2.gz HTXVMFNYFYUWQW-UONOGXRCSA-N 2 0 282.432 1.112 10 0 CDAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000418582967 243237343 /nfs/dbraw/zinc/23/73/43/243237343.db2.gz WATWFJKWPLEWLY-KBPBESRZSA-N 2 0 282.432 1.112 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000638249669 368903050 /nfs/dbraw/zinc/90/30/50/368903050.db2.gz JBPRWTIJLRXOBT-YUTCNCBUSA-N 2 0 280.416 1.040 10 0 CDAERP CNC(=O)C[C@H](NCC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000361633670 368950691 /nfs/dbraw/zinc/95/06/91/368950691.db2.gz WISSPQLZRLUVHB-HOTGVXAUSA-N 2 0 289.423 1.938 10 0 CDAERP C[NH2+]C(C)(C)CNC(=O)Nc1c(C)ccnc1C ZINC000286950007 369037953 /nfs/dbraw/zinc/03/79/53/369037953.db2.gz AAZVYRXQIVLJSW-UHFFFAOYSA-N 2 0 250.346 1.818 10 0 CDAERP CC1=CC[NH+](CCNC(=O)NC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000545858787 369266734 /nfs/dbraw/zinc/26/67/34/369266734.db2.gz ZPKFNWZKPNQUJR-OAHLLOKOSA-N 2 0 294.443 1.279 10 0 CDAERP CN(CC[N@H+](C)C1CC1)C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000368249259 369410501 /nfs/dbraw/zinc/41/05/01/369410501.db2.gz ITKRPJBFZIGSTG-MRXNPFEDSA-N 2 0 299.434 1.752 10 0 CDAERP CCC[NH2+]CCNC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000567383145 370973824 /nfs/dbraw/zinc/97/38/24/370973824.db2.gz MZVTYSALWFWVEF-HNNXBMFYSA-N 2 0 290.411 1.254 10 0 CDAERP CC[NH2+]CCCNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000572104562 294557039 /nfs/dbraw/zinc/55/70/39/294557039.db2.gz OIOKTSPVTGFMFY-GFCCVEGCSA-N 2 0 278.400 1.505 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCC[C@@H](C)C2)CC[N@@H+]1C ZINC000630744639 369958847 /nfs/dbraw/zinc/95/88/47/369958847.db2.gz YPPUCHMLANQGLL-QLFBSQMISA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H]([NH3+])[C@@H]1CCCN(Cc2nnc(C3CCC3)n2C)C1 ZINC000564988805 370318679 /nfs/dbraw/zinc/31/86/79/370318679.db2.gz KCMUGHBUEZQEJG-DGCLKSJQSA-N 2 0 277.416 1.642 10 0 CDAERP OC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300408739 370275456 /nfs/dbraw/zinc/27/54/56/370275456.db2.gz MKTWKABFSASWTI-XGUBFFRZSA-N 2 0 252.402 1.754 10 0 CDAERP [NH3+]C1(CNC(=O)N[C@@H]2CCc3[nH]cnc3C2)CCCCC1 ZINC000418231066 370310468 /nfs/dbraw/zinc/31/04/68/370310468.db2.gz FSNZNKYSVRONFY-LLVKDONJSA-N 2 0 291.399 1.228 10 0 CDAERP CCn1ccnc1CNC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000418271368 370377177 /nfs/dbraw/zinc/37/71/77/370377177.db2.gz PGZPIRYUFSPCNP-LBPRGKRZSA-N 2 0 281.404 1.418 10 0 CDAERP CN(CC(C)(C)C[NH3+])C(=O)NCC1([NH3+])CCCCCC1 ZINC000418284195 370468288 /nfs/dbraw/zinc/46/82/88/370468288.db2.gz MGBIWQZSJBWTFI-UHFFFAOYSA-N 2 0 284.448 1.664 10 0 CDAERP CC[C@H](Cn1cncn1)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000340476954 371086972 /nfs/dbraw/zinc/08/69/72/371086972.db2.gz VLGDLTVGUAANHV-OAHLLOKOSA-N 2 0 279.432 1.768 10 0 CDAERP [NH3+][C@H]1CCC[C@H]1[NH2+]CCc1ccc(-n2cccn2)cc1 ZINC000422818291 245293959 /nfs/dbraw/zinc/29/39/59/245293959.db2.gz FZXOZVPYHWCIBD-JKSUJKDBSA-N 2 0 270.380 1.884 10 0 CDAERP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)COC1CCC([NH3+])CC1 ZINC000572958140 371361195 /nfs/dbraw/zinc/36/11/95/371361195.db2.gz JWAVPLAJMRZMIA-XSCHDIRWSA-N 2 0 297.443 1.072 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)CC1 ZINC000417386021 376206092 /nfs/dbraw/zinc/20/60/92/376206092.db2.gz FLCSHZVGRAPYAU-DZGCQCFKSA-N 2 0 296.459 1.487 10 0 CDAERP CC[C@H](Cn1cncn1)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000340513395 371465972 /nfs/dbraw/zinc/46/59/72/371465972.db2.gz DAYPKXWIRLSZOE-CYBMUJFWSA-N 2 0 265.405 1.378 10 0 CDAERP C(C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)OC[C@@H]1CCCO1 ZINC000573702632 371630730 /nfs/dbraw/zinc/63/07/30/371630730.db2.gz ZHTMGROMQXKVMY-HRCADAONSA-N 2 0 282.428 1.646 10 0 CDAERP CO[C@H](C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)C1CCC1 ZINC000660119197 412794758 /nfs/dbraw/zinc/79/47/58/412794758.db2.gz YYRLWADYMRYZRC-QBPKDAKJSA-N 2 0 296.455 1.985 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000171048287 372163948 /nfs/dbraw/zinc/16/39/48/372163948.db2.gz AESMMFAHZHEPQJ-CABCVRRESA-N 2 0 294.443 1.350 10 0 CDAERP CC[NH+](CC)[C@@H](C)CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000171038348 372164459 /nfs/dbraw/zinc/16/44/59/372164459.db2.gz AXXNTSLYWLAWQD-LSDHHAIUSA-N 2 0 296.459 1.596 10 0 CDAERP C[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CC1 ZINC000578232915 372360634 /nfs/dbraw/zinc/36/06/34/372360634.db2.gz QEWSRQJGWRTHET-OWCLPIDISA-N 2 0 283.460 1.153 10 0 CDAERP CCOc1ncccc1C[NH2+][C@H](CCC[NH3+])COC ZINC000422961168 245439073 /nfs/dbraw/zinc/43/90/73/245439073.db2.gz AYCWSBQQRFBTCD-CYBMUJFWSA-N 2 0 267.373 1.324 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000173829551 372539911 /nfs/dbraw/zinc/53/99/11/372539911.db2.gz SDHXICLFDBIXKG-CABCVRRESA-N 2 0 298.475 1.842 10 0 CDAERP C[C@@H](C(=O)N1CCO[C@H](C[NH+](C)C)C1)[NH+]1CCCCCC1 ZINC000173643601 372510602 /nfs/dbraw/zinc/51/06/02/372510602.db2.gz IXVCJUFLSQSDOH-LSDHHAIUSA-N 2 0 297.443 1.040 10 0 CDAERP CN(C(=O)[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000580834268 372709500 /nfs/dbraw/zinc/70/95/00/372709500.db2.gz YZBJOAJNKVITSC-OWCLPIDISA-N 2 0 287.407 1.457 10 0 CDAERP CC[NH+](CC)[C@@H](C)CNC(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000247413512 284342961 /nfs/dbraw/zinc/34/29/61/284342961.db2.gz ZMJJVFJXXAANQP-GJZGRUSLSA-N 2 0 298.475 1.700 10 0 CDAERP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCN[C@@H]2C)[C@H](n2cncn2)C1 ZINC000333231038 205135427 /nfs/dbraw/zinc/13/54/27/205135427.db2.gz BZPCGRIAOJVWST-ARILJUKYSA-N 2 0 277.416 1.738 10 0 CDAERP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2COCC2(C)C)CC[NH2+]CC1 ZINC000423167826 245625697 /nfs/dbraw/zinc/62/56/97/245625697.db2.gz XHPWWYSPKIKSOH-OLZOCXBDSA-N 2 0 298.427 1.322 10 0 CDAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCCC1CC[NH+](C)CC1 ZINC000333650690 205550897 /nfs/dbraw/zinc/55/08/97/205550897.db2.gz VRGLOSJHNVCLCP-GXTWGEPZSA-N 2 0 282.432 1.016 10 0 CDAERP C[NH+](C)CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000341169059 373378348 /nfs/dbraw/zinc/37/83/48/373378348.db2.gz HTVZXNZPMGBJRB-UHFFFAOYSA-N 2 0 255.406 1.175 10 0 CDAERP C[C@@H]([NH2+]CC[C@@H](O)C(F)F)C1CC[NH+](C)CC1 ZINC000631697559 373579956 /nfs/dbraw/zinc/57/99/56/373579956.db2.gz NEYIJROVLUIAPZ-MWLCHTKSSA-N 2 0 250.333 1.322 10 0 CDAERP Cc1cc(C[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)[nH]n1 ZINC000193029272 373667695 /nfs/dbraw/zinc/66/76/95/373667695.db2.gz CTPYDRXVUIUYAM-UFBLJUAHSA-N 2 0 262.401 1.864 10 0 CDAERP CCCCCNC(=O)[C@H](C)[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631841038 373828583 /nfs/dbraw/zinc/82/85/83/373828583.db2.gz HMPFAEIDIRGLEK-RWMBFGLXSA-N 2 0 255.406 1.208 10 0 CDAERP C[NH+]1CCC(C(=O)N2CCC[C@@H](C[NH2+]CCCF)C2)CC1 ZINC001661815630 1172450662 /nfs/dbraw/zinc/45/06/62/1172450662.db2.gz ZRMIHVQFDHZQDG-AWEZNQCLSA-N 2 0 299.434 1.516 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000250487143 483018642 /nfs/dbraw/zinc/01/86/42/483018642.db2.gz FFLDXDDBRQOMBF-MCIONIFRSA-N 2 0 267.417 1.208 10 0 CDAERP CN1CC[C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1=O ZINC000424186555 246377444 /nfs/dbraw/zinc/37/74/44/246377444.db2.gz IKGNQWZFFYXXMM-BFHYXJOUSA-N 2 0 265.401 1.071 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000342953187 374765378 /nfs/dbraw/zinc/76/53/78/374765378.db2.gz WKSUVGSQVMRWSS-ZFWWWQNUSA-N 2 0 279.428 1.461 10 0 CDAERP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000334321121 374897751 /nfs/dbraw/zinc/89/77/51/374897751.db2.gz WNSQTFDLPVMFHV-HUUCEWRRSA-N 2 0 293.455 1.886 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCCF ZINC001661929365 1172469320 /nfs/dbraw/zinc/46/93/20/1172469320.db2.gz FAPGOOOSCRQNPT-CABCVRRESA-N 2 0 299.434 1.801 10 0 CDAERP C[NH2+]Cc1cccc(NC(=O)NCC(C)(C)[NH2+]C)c1 ZINC000415916205 375479283 /nfs/dbraw/zinc/47/92/83/375479283.db2.gz BAVHPYJISUSHKA-UHFFFAOYSA-N 2 0 264.373 1.526 10 0 CDAERP CC(C)([NH3+])C(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000361724753 375527604 /nfs/dbraw/zinc/52/76/04/375527604.db2.gz BAXWGGDWKOKION-LBPRGKRZSA-N 2 0 253.390 1.201 10 0 CDAERP O=C(CC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)Nc1cccnc1 ZINC000571660025 375609932 /nfs/dbraw/zinc/60/99/32/375609932.db2.gz DDQAVHMRUFHSHH-MRXNPFEDSA-N 2 0 288.395 1.486 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000416841836 375686870 /nfs/dbraw/zinc/68/68/70/375686870.db2.gz MOUIVOJKQHIQFQ-KCQAQPDRSA-N 2 0 292.427 1.194 10 0 CDAERP COC(=O)[C@@H](C)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062032351 375868483 /nfs/dbraw/zinc/86/84/83/375868483.db2.gz UIZAALSQMADSCN-ZDUSSCGKSA-N 2 0 268.401 1.603 10 0 CDAERP CCC1([NH+](C)C)CCN(c2cc[nH+]cc2C(N)=O)CC1 ZINC000631477898 376292344 /nfs/dbraw/zinc/29/23/44/376292344.db2.gz YJSBMMIXMJSJNJ-UHFFFAOYSA-N 2 0 276.384 1.491 10 0 CDAERP COCC[NH2+]C1CC[NH+](C[C@H]2CCO[C@@H]2C)CC1 ZINC000631829293 376667238 /nfs/dbraw/zinc/66/72/38/376667238.db2.gz MQNLYVUVWNANPX-CHWSQXEVSA-N 2 0 256.390 1.112 10 0 CDAERP CC[C@@H]1CN(Cc2ccc3oc(=O)n(C)c3c2)CC[C@@H]1[NH3+] ZINC000631825078 376653184 /nfs/dbraw/zinc/65/31/84/376653184.db2.gz YARTXXFFEQNRBT-OLZOCXBDSA-N 2 0 289.379 1.691 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000171471279 376661248 /nfs/dbraw/zinc/66/12/48/376661248.db2.gz TXGYBXBJTBURBG-ZIAGYGMSSA-N 2 0 265.401 1.167 10 0 CDAERP C[NH+](C)Cc1ccc(C(=O)NC(C)(C)C[NH+](C)C)cn1 ZINC000457207276 252478821 /nfs/dbraw/zinc/47/88/21/252478821.db2.gz BPAYUDKDUDPXGE-UHFFFAOYSA-N 2 0 278.400 1.213 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]C2CCN(C(=O)C(C)C)CC2)[C@@H](C)C1 ZINC000247045822 377035736 /nfs/dbraw/zinc/03/57/36/377035736.db2.gz MYJRTSJHLXPNAN-HOCLYGCPSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000247198294 377066947 /nfs/dbraw/zinc/06/69/47/377066947.db2.gz ZUFBRAFRIVNNGP-CVEARBPZSA-N 2 0 293.455 1.946 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCN1CCCC[C@]1(C)C(N)=O ZINC000248553416 377246599 /nfs/dbraw/zinc/24/65/99/377246599.db2.gz AOZSCGXYLNWEEF-TZMCWYRMSA-N 2 0 253.390 1.201 10 0 CDAERP CCC(C)(C)NC(=O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248163196 377204745 /nfs/dbraw/zinc/20/47/45/377204745.db2.gz SMOBDSVJOIWBGI-KBPBESRZSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC2=CC[NH+](C)CC2)CC[N@@H+]1C ZINC000632306769 377273185 /nfs/dbraw/zinc/27/31/85/377273185.db2.gz WCFGBDDEODIUHF-UONOGXRCSA-N 2 0 265.401 1.095 10 0 CDAERP O=C(c1ccc2nccn2c1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000632861901 377939270 /nfs/dbraw/zinc/93/92/70/377939270.db2.gz VQKQSNXHFMTDCM-TZMCWYRMSA-N 2 0 284.363 1.548 10 0 CDAERP C[C@H](CNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)[N@H+](C)C1CC1 ZINC000417553797 377964623 /nfs/dbraw/zinc/96/46/23/377964623.db2.gz VHSMLFNIXXDPGX-UPJWGTAASA-N 2 0 280.416 1.005 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC(C)(C)C[NH+](C)C)CC[N@@H+]1C ZINC000633381785 378386593 /nfs/dbraw/zinc/38/65/93/378386593.db2.gz UFPHUSZWZPBWAS-NWDGAFQWSA-N 2 0 255.406 1.173 10 0 CDAERP COC[C@@H](CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1)OC ZINC000657555975 412891929 /nfs/dbraw/zinc/89/19/29/412891929.db2.gz ZAHUQPFVSSKGKL-OAHLLOKOSA-N 2 0 290.367 1.408 10 0 CDAERP C[C@@]1(C(F)F)C[N@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000662334744 412903469 /nfs/dbraw/zinc/90/34/69/412903469.db2.gz CTDWJVAFLZYJJL-YPMHNXCESA-N 2 0 262.344 1.732 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CC[C@@H](O)C(F)(F)F)CC[N@@H+]1C ZINC000639171670 379169359 /nfs/dbraw/zinc/16/93/59/379169359.db2.gz DDASDELZBDVCJQ-OPRDCNLKSA-N 2 0 254.296 1.372 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000634300518 379355494 /nfs/dbraw/zinc/35/54/94/379355494.db2.gz BFHWKTFWKDUMPB-HZSPNIEDSA-N 2 0 267.417 1.173 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC([NH+](C)C)CC2)CC[N@@H+]1C ZINC000344241055 379357965 /nfs/dbraw/zinc/35/79/65/379357965.db2.gz RUBGUONNDSKDAF-STQMWFEESA-N 2 0 267.417 1.269 10 0 CDAERP CC(C)[C@H]1CN(C(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)CC[N@@H+]1C ZINC000634301094 379359569 /nfs/dbraw/zinc/35/95/69/379359569.db2.gz WMGHWJKHMNDLSX-BZUAXINKSA-N 2 0 295.471 1.811 10 0 CDAERP CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655923506 412928358 /nfs/dbraw/zinc/92/83/58/412928358.db2.gz ZJHXUGKFKUGESO-VHSXEESVSA-N 2 0 296.337 1.050 10 0 CDAERP O=C(NCCCCC[NH+]1CCCCC1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188769875 295640198 /nfs/dbraw/zinc/64/01/98/295640198.db2.gz OXROIQYITGKRBN-UONOGXRCSA-N 2 0 285.407 1.459 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000662406906 412975819 /nfs/dbraw/zinc/97/58/19/412975819.db2.gz MNYMAVXZCMMIMV-KBXIAJHMSA-N 2 0 299.459 1.221 10 0 CDAERP C[NH+]1CCC(C[NH2+]Cc2cnnn2Cc2ccccc2)CC1 ZINC000490888147 253052904 /nfs/dbraw/zinc/05/29/04/253052904.db2.gz RUTYHLHDUOPYOK-UHFFFAOYSA-N 2 0 299.422 1.758 10 0 CDAERP CC(C)([NH3+])c1cc(C(=O)NC[C@@H]([NH3+])c2ccccc2)on1 ZINC000662414439 412985230 /nfs/dbraw/zinc/98/52/30/412985230.db2.gz ZPXFROOMTBDHMW-LLVKDONJSA-N 2 0 288.351 1.298 10 0 CDAERP C[C@H](C[NH3+])N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398163572 390244924 /nfs/dbraw/zinc/24/49/24/390244924.db2.gz GJFGAFBFOMUGNW-IIAWOOMASA-N 2 0 261.413 1.834 10 0 CDAERP CC[N@H+](CCNC(=O)CC[NH+](C)C)CC1CC(C)C1 ZINC001663419586 1172691945 /nfs/dbraw/zinc/69/19/45/1172691945.db2.gz LRPRXKMBMKEVLY-UHFFFAOYSA-N 2 0 269.433 1.422 10 0 CDAERP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)o1 ZINC000646979488 390330845 /nfs/dbraw/zinc/33/08/45/390330845.db2.gz QXYBMAHUJMLABH-TZMCWYRMSA-N 2 0 293.411 1.849 10 0 CDAERP CCC(C)(C)CC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000634725034 390596805 /nfs/dbraw/zinc/59/68/05/390596805.db2.gz FETNSVRBHOQFIN-AWEZNQCLSA-N 2 0 271.449 1.011 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)CC[C@H](C)[NH3+])[C@@H](C)C1 ZINC000248858777 285384259 /nfs/dbraw/zinc/38/42/59/285384259.db2.gz LRPCVMVKTSWDSH-AVGNSLFASA-N 2 0 255.406 1.303 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)N[C@H]1C[NH+](C(C)C)C[C@@H]1C ZINC000119823898 390679617 /nfs/dbraw/zinc/67/96/17/390679617.db2.gz XIULJCAEZCKQSG-KBPBESRZSA-N 2 0 284.448 1.355 10 0 CDAERP Cc1c(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cnn1C ZINC000367537047 390859679 /nfs/dbraw/zinc/85/96/79/390859679.db2.gz BFORDQDTUKMEKP-ZNMIVQPWSA-N 2 0 262.401 1.691 10 0 CDAERP CC[C@@H]([NH2+]C)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000662473510 413047913 /nfs/dbraw/zinc/04/79/13/413047913.db2.gz LWBGUTJKNAATKW-CQSZACIVSA-N 2 0 267.417 1.319 10 0 CDAERP O=C(N1CC[C@]2(C1)CCC[NH2+]C2)C12CCC[NH+]1CCC2 ZINC000335424757 390852276 /nfs/dbraw/zinc/85/22/76/390852276.db2.gz HQKJJSQVYGXWHU-OAHLLOKOSA-N 2 0 277.412 1.217 10 0 CDAERP O=C(N[C@H]1CC[NH2+]C12CCCC2)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000648209760 390952788 /nfs/dbraw/zinc/95/27/88/390952788.db2.gz BKWGUDTWSNXHKL-ZNMIVQPWSA-N 2 0 291.439 1.413 10 0 CDAERP [NH3+]CCc1nc(C(=O)N[C@H]2CC[NH2+]C23CCCC3)cs1 ZINC000648210692 390953292 /nfs/dbraw/zinc/95/32/92/390953292.db2.gz YGSUKBNNOKMQGK-NSHDSACASA-N 2 0 294.424 1.049 10 0 CDAERP CCOCC[N@@H+]1CCN(C(=O)CC(C)(C)[NH3+])C[C@@H]1CC ZINC000178777319 390909851 /nfs/dbraw/zinc/90/98/51/390909851.db2.gz JBHSEOLMLATLIH-ZDUSSCGKSA-N 2 0 285.432 1.073 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]C2CCC(C(N)=O)CC2)CN1C1CC1 ZINC000161713998 390973001 /nfs/dbraw/zinc/97/30/01/390973001.db2.gz QCGZBIYEFQTYLR-IKWCTNDRSA-N 2 0 265.401 1.245 10 0 CDAERP [NH3+]CC(=O)N1CCC[C@H](C[NH2+]CC2CCC(F)CC2)C1 ZINC000647553368 391000307 /nfs/dbraw/zinc/00/03/07/391000307.db2.gz XFURPPVVSXAEOQ-ROKHWSDSSA-N 2 0 285.407 1.302 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000097093337 391008311 /nfs/dbraw/zinc/00/83/11/391008311.db2.gz IANBBZYMADRHFX-FRRDWIJNSA-N 2 0 255.406 1.206 10 0 CDAERP C[N@@H+]1CCN(C[C@@]2(C)CC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000062910791 391104581 /nfs/dbraw/zinc/10/45/81/391104581.db2.gz NEPIJANKIDIFPY-SJORKVTESA-N 2 0 273.424 1.975 10 0 CDAERP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccnc(C)c2)CC1 ZINC000527653224 391087147 /nfs/dbraw/zinc/08/71/47/391087147.db2.gz MOKFUVTWPPWSBF-HNNXBMFYSA-N 2 0 290.455 1.753 10 0 CDAERP CCOCCC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000119422232 391092478 /nfs/dbraw/zinc/09/24/78/391092478.db2.gz RYRVMYBRSTURSY-MRXNPFEDSA-N 2 0 283.460 1.515 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCC[NH2+]C2CC2)[C@@H](C)C1 ZINC000418290161 391172580 /nfs/dbraw/zinc/17/25/80/391172580.db2.gz ZRHSBACGYKKKAE-ZFWWWQNUSA-N 2 0 296.459 1.500 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCNC[C@@H]2c2cccnc2)C1 ZINC000376570156 391241599 /nfs/dbraw/zinc/24/15/99/391241599.db2.gz JPSQTRPKJGBWHS-BPLDGKMQSA-N 2 0 288.395 1.072 10 0 CDAERP CCC(CC)(C[NH3+])C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000648104713 391338880 /nfs/dbraw/zinc/33/88/80/391338880.db2.gz KESLQQUVASAJPA-UONOGXRCSA-N 2 0 281.444 1.742 10 0 CDAERP CCCC[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000109752625 391391646 /nfs/dbraw/zinc/39/16/46/391391646.db2.gz IDXMXGKRHBNIKJ-HNNXBMFYSA-N 2 0 253.434 1.888 10 0 CDAERP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@@H](O)C1CCCCC1 ZINC000191016183 391445954 /nfs/dbraw/zinc/44/59/54/391445954.db2.gz PDVLUBXVZHWNIN-QGZVFWFLSA-N 2 0 297.487 1.497 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@@H](C(C)C)[C@H](C)[NH3+])CC1 ZINC000638981887 391479341 /nfs/dbraw/zinc/47/93/41/391479341.db2.gz YFQODFPWGJQZPF-KBPBESRZSA-N 2 0 283.460 1.939 10 0 CDAERP FC(F)(F)[C@H](C[NH2+][C@@H]1CCCSC1)N1CC[NH2+]CC1 ZINC000414993287 391694067 /nfs/dbraw/zinc/69/40/67/391694067.db2.gz UIQWCESSBSYSBZ-MNOVXSKESA-N 2 0 297.390 1.308 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000649299072 391934260 /nfs/dbraw/zinc/93/42/60/391934260.db2.gz XLUAWSMVUJFHOJ-STQMWFEESA-N 2 0 255.406 1.160 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CCC[NH+]2C[C@H]1C ZINC000113223802 391906528 /nfs/dbraw/zinc/90/65/28/391906528.db2.gz TXHREFINZXSWIQ-CHWSQXEVSA-N 2 0 253.390 1.022 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649318663 392009621 /nfs/dbraw/zinc/00/96/21/392009621.db2.gz ARJFYHUUESXZMI-QNSTZXKLSA-N 2 0 265.401 1.116 10 0 CDAERP CC1(C)C[NH2+][C@H]1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000646069453 391970356 /nfs/dbraw/zinc/97/03/56/391970356.db2.gz BPRWNHWQRBUOIF-AWEZNQCLSA-N 2 0 279.428 1.319 10 0 CDAERP Cc1cnn(CC[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000341909244 391977035 /nfs/dbraw/zinc/97/70/35/391977035.db2.gz LOWPPKCEGIBQNK-BZUAXINKSA-N 2 0 292.427 1.375 10 0 CDAERP O=C(N[C@H]1CCCC[NH2+]C1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000334926555 391980497 /nfs/dbraw/zinc/98/04/97/391980497.db2.gz DWIMCLDNYGZKLG-KBPBESRZSA-N 2 0 280.416 1.008 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000649354267 392090769 /nfs/dbraw/zinc/09/07/69/392090769.db2.gz VCFUXTFCHFIUDE-HRCADAONSA-N 2 0 293.455 1.851 10 0 CDAERP CC[C@H]([NH2+]C[C@@H]1CCCN1CCOC)[C@H]1CCOC1 ZINC000163416121 392119446 /nfs/dbraw/zinc/11/94/46/392119446.db2.gz RZHQUAHTONARRK-KKUMJFAQSA-N 2 0 270.417 1.502 10 0 CDAERP C(CN1CCOCC1)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000649415122 392198980 /nfs/dbraw/zinc/19/89/80/392198980.db2.gz LESICJTXDXGALJ-HZPDHXFCSA-N 2 0 281.444 1.173 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000251940114 392244445 /nfs/dbraw/zinc/24/44/45/392244445.db2.gz ZNFMZMKXANDOTJ-LXTVHRRPSA-N 2 0 279.428 1.589 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH+](C)C2CC2)[C@H](C)C1 ZINC000448526328 392229395 /nfs/dbraw/zinc/22/93/95/392229395.db2.gz ZBJRMMQNIAJYER-HIFRSBDPSA-N 2 0 296.459 1.452 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H](CO)Cc1ccc(F)c(F)c1 ZINC000423071394 392316355 /nfs/dbraw/zinc/31/63/55/392316355.db2.gz HSTDHOZWFNRICQ-GVXVVHGQSA-N 2 0 286.366 1.831 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCCNc1ccccc1F ZINC000423029902 392284875 /nfs/dbraw/zinc/28/48/75/392284875.db2.gz IXWXNEQJVMJNDZ-KCQAQPDRSA-N 2 0 295.402 1.970 10 0 CDAERP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC[C@H]1CCOC1 ZINC000423038970 392292853 /nfs/dbraw/zinc/29/28/53/392292853.db2.gz ZKCHNOCVLHTAOB-BPUTZDHNSA-N 2 0 262.397 1.961 10 0 CDAERP CC(C)(C)[C@@H](O)C[C@@H](CO)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423101398 392344357 /nfs/dbraw/zinc/34/43/57/392344357.db2.gz IPSLUGPIGZPXBH-HOAMVYINSA-N 2 0 272.433 1.252 10 0 CDAERP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H](CO)c1cccnc1 ZINC000423126751 392365576 /nfs/dbraw/zinc/36/55/76/392365576.db2.gz OTFDFTPMAPBXCT-BMGDILEWSA-N 2 0 299.418 1.706 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000629529844 392386489 /nfs/dbraw/zinc/38/64/89/392386489.db2.gz OHIJGOJDLWXTTE-CQSZACIVSA-N 2 0 282.359 1.865 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)CCCC[NH3+])[C@@H]1n1cccn1 ZINC000423150073 392389123 /nfs/dbraw/zinc/38/91/23/392389123.db2.gz YPTTWLMXMQSUBH-XQLPTFJDSA-N 2 0 280.416 1.709 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@H]1NCCC[NH2+]Cc1cccnc1 ZINC000423184570 392425629 /nfs/dbraw/zinc/42/56/29/392425629.db2.gz IHSPFGCIMDQELP-LSDHHAIUSA-N 2 0 262.401 1.278 10 0 CDAERP CC(C)[C@H]1CN(C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC[NH2+]1 ZINC000646327508 392526621 /nfs/dbraw/zinc/52/66/21/392526621.db2.gz CTPGJOYDUDIEBZ-RBSFLKMASA-N 2 0 281.444 1.741 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1cc(C)nc(C)c1 ZINC000423567205 392596291 /nfs/dbraw/zinc/59/62/91/392596291.db2.gz ZXBFDAAWZTUIKP-CQSZACIVSA-N 2 0 251.374 1.542 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)NCCc1cn(C)cn1 ZINC000458791199 392724978 /nfs/dbraw/zinc/72/49/78/392724978.db2.gz YSHPFFPTPBEJQY-AWEZNQCLSA-N 2 0 293.415 1.136 10 0 CDAERP CC[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000517015183 392812179 /nfs/dbraw/zinc/81/21/79/392812179.db2.gz BABJMAIABPTVLS-ZIAGYGMSSA-N 2 0 284.448 1.452 10 0 CDAERP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000063124000 413073986 /nfs/dbraw/zinc/07/39/86/413073986.db2.gz DBRNJMXYWBHEGS-JYJNAYRXSA-N 2 0 293.455 1.707 10 0 CDAERP [NH3+]Cc1ccc(C(=O)NCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000188736287 140099952 /nfs/dbraw/zinc/09/99/52/140099952.db2.gz IUPLBGIRCJOFPR-UHFFFAOYSA-N 2 0 281.359 1.679 10 0 CDAERP [NH3+][C@@H]1CC[C@@H](C(=O)NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000188705751 140100078 /nfs/dbraw/zinc/10/00/78/140100078.db2.gz WQPGOADLSLYVAC-BXUZGUMPSA-N 2 0 259.353 1.033 10 0 CDAERP Cc1ccc([C@@H]([NH3+])C(=O)N2CCC([NH+](C)C)CC2)cc1 ZINC000228094877 140190386 /nfs/dbraw/zinc/19/03/86/140190386.db2.gz OVFTUTHZMCEDLM-OAHLLOKOSA-N 2 0 275.396 1.547 10 0 CDAERP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C(F)(F)F ZINC000261572737 140352540 /nfs/dbraw/zinc/35/25/40/140352540.db2.gz URGPWIHLRAANDL-IRCOFANPSA-N 2 0 280.334 1.810 10 0 CDAERP C[C@]1(CN2CCN(Cc3ccccn3)CC2)CC[NH2+]C1 ZINC000261740280 140383236 /nfs/dbraw/zinc/38/32/36/140383236.db2.gz ILIJJJAXMUTBKD-INIZCTEOSA-N 2 0 274.412 1.199 10 0 CDAERP CC[C@]1(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)CCC[NH2+]1 ZINC000261806820 140391881 /nfs/dbraw/zinc/39/18/81/140391881.db2.gz HGIQDCCYRTYEAP-SMDDNHRTSA-N 2 0 253.390 1.104 10 0 CDAERP CC1(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CCC1 ZINC000261801031 140392045 /nfs/dbraw/zinc/39/20/45/140392045.db2.gz YTJLWTTWBJXBKJ-CABCVRRESA-N 2 0 293.455 1.757 10 0 CDAERP CC[C@H](C)[C@@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261824075 140395191 /nfs/dbraw/zinc/39/51/91/140395191.db2.gz SNIJICLZVBMCGE-DRPJVOAASA-N 2 0 289.423 1.561 10 0 CDAERP C[C@@H](CNC(=O)[C@H]([NH3+])C1CCOCC1)[N@@H+]1CCCC[C@H]1C ZINC000261855001 140398899 /nfs/dbraw/zinc/39/88/99/140398899.db2.gz RVKDSRUVDXDNDM-VNHYZAJKSA-N 2 0 297.443 1.119 10 0 CDAERP C[NH+](C)CCCNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662523628 413094109 /nfs/dbraw/zinc/09/41/09/413094109.db2.gz PGDCDJPVORYSBP-HNNXBMFYSA-N 2 0 289.423 1.747 10 0 CDAERP [NH3+]C1(CNC(=O)C[C@@H]2CCC[NH2+]2)CCCCCC1 ZINC000122490630 147398025 /nfs/dbraw/zinc/39/80/25/147398025.db2.gz INYKUAHRLHFMJG-LBPRGKRZSA-N 2 0 253.390 1.296 10 0 CDAERP CCC[NH2+]CCNC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662549192 413115502 /nfs/dbraw/zinc/11/55/02/413115502.db2.gz MTCMPQFVNBZICT-AWEZNQCLSA-N 2 0 261.369 1.337 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000664212806 413149616 /nfs/dbraw/zinc/14/96/16/413149616.db2.gz KIDDNQHFIAVSLE-UONOGXRCSA-N 2 0 296.459 1.643 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000664212807 413148577 /nfs/dbraw/zinc/14/85/77/413148577.db2.gz KIDDNQHFIAVSLE-ZIAGYGMSSA-N 2 0 296.459 1.643 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000662592819 413162920 /nfs/dbraw/zinc/16/29/20/413162920.db2.gz KKCWITGEBHXPPB-ZIAGYGMSSA-N 2 0 281.444 1.755 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662594391 413164564 /nfs/dbraw/zinc/16/45/64/413164564.db2.gz QKJOAYOONIFELI-AWEZNQCLSA-N 2 0 267.417 1.224 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000662594840 413165510 /nfs/dbraw/zinc/16/55/10/413165510.db2.gz WODZRCUHTZDVST-STQMWFEESA-N 2 0 267.417 1.223 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000417678818 397634372 /nfs/dbraw/zinc/63/43/72/397634372.db2.gz KFMHQJAUZQSDEG-SDDRHHMPSA-N 2 0 272.437 1.388 10 0 CDAERP Cc1cccc(CN2CCN(CC[NH+](C)C)C(=O)C2)c1 ZINC000649688371 397898371 /nfs/dbraw/zinc/89/83/71/397898371.db2.gz AKLPJXKCPFCDCN-UHFFFAOYSA-N 2 0 275.396 1.201 10 0 CDAERP Cc1ccc2[nH+]ccc(N3CC([N@@H+]4CC[C@@H](O)C4)C3)c2c1 ZINC000651451659 398028020 /nfs/dbraw/zinc/02/80/20/398028020.db2.gz RITJTDLVRYISNY-CQSZACIVSA-N 2 0 283.375 1.798 10 0 CDAERP C[N@H+](CCOCC[NH3+])C[C@H]1CCCCC1(F)F ZINC000381568871 398111632 /nfs/dbraw/zinc/11/16/32/398111632.db2.gz YCGAFUJGUXGDCN-LLVKDONJSA-N 2 0 250.333 1.719 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654374351 413196308 /nfs/dbraw/zinc/19/63/08/413196308.db2.gz HXGZEUMXNXEDFS-SOUVJXGZSA-N 2 0 296.459 1.500 10 0 CDAERP [NH3+][C@@H]1CC[C@@H](C(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000091543192 146984434 /nfs/dbraw/zinc/98/44/34/146984434.db2.gz AIGSPMGZNODVLJ-HUUCEWRRSA-N 2 0 279.428 1.448 10 0 CDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cncs2)CC1 ZINC000121089793 147357698 /nfs/dbraw/zinc/35/76/98/147357698.db2.gz CYZISFYBXLPKLK-LBPRGKRZSA-N 2 0 283.441 1.668 10 0 CDAERP C[C@]1(CN2CCC[C@@H]2C[NH+]2CCCC2)CC[NH2+]C1 ZINC000262106122 149018901 /nfs/dbraw/zinc/01/89/01/149018901.db2.gz VYLIHEVBWYKHTJ-CABCVRRESA-N 2 0 251.418 1.546 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262131777 149024964 /nfs/dbraw/zinc/02/49/64/149024964.db2.gz YFZPSNHIFXZKQG-QGZVFWFLSA-N 2 0 297.406 1.761 10 0 CDAERP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1ccccc1F ZINC000314670658 149255973 /nfs/dbraw/zinc/25/59/73/149255973.db2.gz CPHHGQHWLGDCBV-BETUJISGSA-N 2 0 291.370 1.696 10 0 CDAERP Cc1nc2ccccn2c1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000334858398 150000149 /nfs/dbraw/zinc/00/01/49/150000149.db2.gz SMHXGJDMLONDHL-WCQYABFASA-N 2 0 258.369 1.730 10 0 CDAERP C[C@H]1CC[NH2+][C@H](C(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000335136786 150327426 /nfs/dbraw/zinc/32/74/26/150327426.db2.gz YECNKLPGUBYUAM-STQMWFEESA-N 2 0 267.417 1.542 10 0 CDAERP Cc1c(Cl)c(C[NH+]2CCC3(CC[NH2+]C3)CC2)nn1C ZINC000335556166 150776839 /nfs/dbraw/zinc/77/68/39/150776839.db2.gz PRAOUNYOXGBMGZ-UHFFFAOYSA-N 2 0 282.819 1.957 10 0 CDAERP Cc1c(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cnn1C ZINC000335918784 151112701 /nfs/dbraw/zinc/11/27/01/151112701.db2.gz DRMRQNRSRKYMIS-SMDDNHRTSA-N 2 0 250.390 1.643 10 0 CDAERP C[C@H]1C[N@H+](C)C[C@H]1NCCC[NH+]1CCC(C)CC1 ZINC000343078277 152023782 /nfs/dbraw/zinc/02/37/82/152023782.db2.gz DNXVKZUSWFSFGX-LSDHHAIUSA-N 2 0 253.434 1.648 10 0 CDAERP C[C@H]1C[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000346420620 153179033 /nfs/dbraw/zinc/17/90/33/153179033.db2.gz YVQVKIDKTABOIN-JSGCOSHPSA-N 2 0 267.417 1.269 10 0 CDAERP CC[NH+](CC)[C@@H](CNC(=O)CC1([NH3+])CC1)CC(C)C ZINC000662674252 413293262 /nfs/dbraw/zinc/29/32/62/413293262.db2.gz YABJRZQSIVHVTQ-CYBMUJFWSA-N 2 0 269.433 1.741 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N(C)Cc1c[nH]cn1 ZINC000660612582 413294677 /nfs/dbraw/zinc/29/46/77/413294677.db2.gz UFXUGPDHOUBPOJ-BETUJISGSA-N 2 0 293.415 1.814 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662679565 413299347 /nfs/dbraw/zinc/29/93/47/413299347.db2.gz AIUDREFNHNDXDL-ZDUSSCGKSA-N 2 0 279.428 1.652 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)CC1([NH3+])CC1)C1CCCCC1 ZINC000662680912 413302577 /nfs/dbraw/zinc/30/25/77/413302577.db2.gz ZSGNIHBPIWVFLY-CYBMUJFWSA-N 2 0 267.417 1.495 10 0 CDAERP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C1([NH2+]C2CC2)CCC1 ZINC000662682217 413303325 /nfs/dbraw/zinc/30/33/25/413303325.db2.gz OSOIGRVOQBMLRS-LBPRGKRZSA-N 2 0 277.412 1.262 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)C1([NH2+]C2CC2)CCC1)C1CC1 ZINC000662689694 413319436 /nfs/dbraw/zinc/31/94/36/413319436.db2.gz WBGHQHNSPYAKFM-CYBMUJFWSA-N 2 0 265.401 1.118 10 0 CDAERP CC1(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)CCC1 ZINC000353669272 156000891 /nfs/dbraw/zinc/00/08/91/156000891.db2.gz IDUWHXVNZIKOLG-UHFFFAOYSA-N 2 0 281.444 1.758 10 0 CDAERP C[N@@H+]1CCC[C@@]2(CCN(CCO[C@H]3CC3(F)F)C2)C1 ZINC000660642676 413323517 /nfs/dbraw/zinc/32/35/17/413323517.db2.gz UFAQFNLHJPGYKX-QWHCGFSZSA-N 2 0 274.355 1.828 10 0 CDAERP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654487362 413349764 /nfs/dbraw/zinc/34/97/64/413349764.db2.gz HJAOYRNDCODSIT-VIRABCJISA-N 2 0 294.443 1.109 10 0 CDAERP C[NH2+][C@H](CC(C)(C)C)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662731080 413397355 /nfs/dbraw/zinc/39/73/55/413397355.db2.gz XTLQBUKYRHRVEU-VXGBXAGGSA-N 2 0 257.422 1.500 10 0 CDAERP CCC[C@H]([NH3+])C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000371561357 160026614 /nfs/dbraw/zinc/02/66/14/160026614.db2.gz RLAIZWANRLKYOR-XUWVNRHRSA-N 2 0 287.407 1.360 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2[NH2+]CCC2(C)C)CC[N@@H+]1C ZINC000662746102 413420370 /nfs/dbraw/zinc/42/03/70/413420370.db2.gz QNRDFUDZYIJFOJ-AGIUHOORSA-N 2 0 267.417 1.316 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCN(C(=O)C2([NH3+])CC3(CCC3)C2)C1 ZINC000662747669 413420958 /nfs/dbraw/zinc/42/09/58/413420958.db2.gz AWWNVBDEWQVHBG-CQSZACIVSA-N 2 0 293.455 1.838 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000662756489 413441548 /nfs/dbraw/zinc/44/15/48/413441548.db2.gz HLDFKNNWCCZDDB-GXTWGEPZSA-N 2 0 267.417 1.350 10 0 CDAERP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@@H](OC)C2CCC2)CC1 ZINC000660754609 413444776 /nfs/dbraw/zinc/44/47/76/413444776.db2.gz SXXGLUHFXUMRIR-MRXNPFEDSA-N 2 0 297.487 1.807 10 0 CDAERP C[C@@H]([NH2+]CCC[NH3+])[C@H](c1ccccc1)N1CCOCC1 ZINC000423182700 287024123 /nfs/dbraw/zinc/02/41/23/287024123.db2.gz GWIPIVYQBAYTNV-GDBMZVCRSA-N 2 0 277.412 1.387 10 0 CDAERP COc1cccc([C@H](C[NH3+])N2CC[NH+](CC(C)C)CC2)c1 ZINC000020179580 171044076 /nfs/dbraw/zinc/04/40/76/171044076.db2.gz VXBUJYRCRQZFTQ-KRWDZBQOSA-N 2 0 291.439 1.969 10 0 CDAERP C[N@@H+]1CCCN([C@@H](C[NH3+])c2ccccc2F)CC1 ZINC000020217707 171079862 /nfs/dbraw/zinc/07/98/62/171079862.db2.gz FAGJKJRCVGVKTD-AWEZNQCLSA-N 2 0 251.349 1.463 10 0 CDAERP CC(C)[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+](C)C ZINC000020524018 171237016 /nfs/dbraw/zinc/23/70/16/171237016.db2.gz OXZREBNHMHAJQJ-DKUMPPAJSA-N 2 0 253.434 1.787 10 0 CDAERP C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C[NH3+])cc2)C[C@H](C)O1 ZINC000022155455 171362148 /nfs/dbraw/zinc/36/21/48/171362148.db2.gz DIHSLKFOPDUBLE-BETUJISGSA-N 2 0 291.395 1.583 10 0 CDAERP C[C@@H](C(=O)Nc1cccc(C[NH3+])c1)[NH+]1CCCCC1 ZINC000022223293 171379213 /nfs/dbraw/zinc/37/92/13/171379213.db2.gz BPFLSPHQMDXYFP-LBPRGKRZSA-N 2 0 261.369 1.958 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@@H]([NH3+])CC(C)C ZINC000653211297 412139740 /nfs/dbraw/zinc/13/97/40/412139740.db2.gz SRUXMKCTELJKOM-AWEZNQCLSA-N 2 0 263.385 1.396 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)C[C@H]1CCC[NH2+]1 ZINC000653210707 412140484 /nfs/dbraw/zinc/14/04/84/412140484.db2.gz GDLKVDYJYFDRAM-CQSZACIVSA-N 2 0 261.369 1.164 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)c1c[nH+]ccc1N(C)C ZINC000653214782 412143984 /nfs/dbraw/zinc/14/39/84/412143984.db2.gz AZLGVTNAGWZUIK-UHFFFAOYSA-N 2 0 298.390 1.797 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)[C@@H]1C ZINC000311043146 413483757 /nfs/dbraw/zinc/48/37/57/413483757.db2.gz FHXHNBLWOOCQLU-MGPQQGTHSA-N 2 0 253.434 1.647 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000654658496 413548748 /nfs/dbraw/zinc/54/87/48/413548748.db2.gz MKQZCSVLKCOPKE-MCIONIFRSA-N 2 0 282.432 1.062 10 0 CDAERP C[C@H]1C[C@H](N(C)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC[N@@H+]1C ZINC000654659345 413550360 /nfs/dbraw/zinc/55/03/60/413550360.db2.gz ATYLMKVHGRKBPD-BYNSBNAKSA-N 2 0 296.459 1.451 10 0 CDAERP C[C@H]1CCCN(C(=O)c2cc(C(C)(C)[NH3+])no2)[C@H]1CC[NH3+] ZINC000662828980 413560725 /nfs/dbraw/zinc/56/07/25/413560725.db2.gz JSJQQHSPGVRZOJ-QWRGUYRKSA-N 2 0 294.399 1.458 10 0 CDAERP Cc1c[nH+]ccc1N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000664656088 413576140 /nfs/dbraw/zinc/57/61/40/413576140.db2.gz DOLNOMNFMNVAET-AWEZNQCLSA-N 2 0 263.385 1.937 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000659486532 413878546 /nfs/dbraw/zinc/87/85/46/413878546.db2.gz FEXHAVBRTLOIMZ-OAHLLOKOSA-N 2 0 296.459 1.533 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659434754 413818317 /nfs/dbraw/zinc/81/83/17/413818317.db2.gz RCHUFBHXZPSRHT-CHWSQXEVSA-N 2 0 272.437 1.389 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000659437916 413822773 /nfs/dbraw/zinc/82/27/73/413822773.db2.gz SDNOYSCKKDTENA-MCIONIFRSA-N 2 0 282.432 1.286 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1)C[NH+]1CCCC1 ZINC000407371375 413946481 /nfs/dbraw/zinc/94/64/81/413946481.db2.gz MHVLZLKWBWQXTE-BPLDGKMQSA-N 2 0 279.428 1.365 10 0 CDAERP [NH3+][C@@H]1CN(C(=O)NCC2([NH3+])CCCCCC2)CC[C@H]1F ZINC000659505045 413897706 /nfs/dbraw/zinc/89/77/06/413897706.db2.gz GGDHXXSMCGHNEI-VXGBXAGGSA-N 2 0 286.395 1.119 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407270410 413912925 /nfs/dbraw/zinc/91/29/25/413912925.db2.gz OYXNYAQEGREFQF-UONOGXRCSA-N 2 0 267.417 1.365 10 0 CDAERP Cc1cncc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000665274017 414005146 /nfs/dbraw/zinc/00/51/46/414005146.db2.gz ICAHLTTWCSPKKY-BFHYXJOUSA-N 2 0 260.385 1.305 10 0 CDAERP COC1CC(CC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000665230197 413955227 /nfs/dbraw/zinc/95/52/27/413955227.db2.gz LCEYHAFAUZVQLS-KDQUWOQTSA-N 2 0 282.428 1.548 10 0 CDAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCO[C@@H]1CC1(F)F ZINC000665244027 413977905 /nfs/dbraw/zinc/97/79/05/413977905.db2.gz FCRZIWWGTVDAPM-TVQRCGJNSA-N 2 0 285.338 1.924 10 0 CDAERP CC[C@@H](C)[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000665285522 414023531 /nfs/dbraw/zinc/02/35/31/414023531.db2.gz PBRNTKWFNDQQNO-GFCCVEGCSA-N 2 0 255.406 1.365 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC[C@@H]([NH3+])C(C)C)[C@H](C)C1 ZINC000659622258 414033085 /nfs/dbraw/zinc/03/30/85/414033085.db2.gz PMUCEXZUIGMBFZ-RBSFLKMASA-N 2 0 298.475 1.732 10 0 CDAERP CC[N@@H+]1C[C@@H](C)N(C(=O)NCC[C@@H]([NH3+])C(C)C)C[C@@H]1C ZINC000659622215 414033174 /nfs/dbraw/zinc/03/31/74/414033174.db2.gz ONBRNMDBNYXHNX-BFHYXJOUSA-N 2 0 284.448 1.484 10 0 CDAERP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(C2CCC2)CC1 ZINC000661373369 414036112 /nfs/dbraw/zinc/03/61/12/414036112.db2.gz BJZSOLJPVRWMGH-HNNXBMFYSA-N 2 0 254.418 1.811 10 0 CDAERP C[C@H](NCC(C)(C)C[NH+](C)C)[C@H]1CCC[N@H+](C)C1 ZINC000037209220 173030115 /nfs/dbraw/zinc/03/01/15/173030115.db2.gz LGCCSDYLKGJDBC-KBPBESRZSA-N 2 0 255.450 1.894 10 0 CDAERP CCC[NH+]1CCC([C@H](C)[NH2+]CC(=O)N(C)C)CC1 ZINC000037225211 173045402 /nfs/dbraw/zinc/04/54/02/173045402.db2.gz CTXHLQAAKRRFNT-LBPRGKRZSA-N 2 0 255.406 1.175 10 0 CDAERP CC[C@H](C)NC(=O)[C@@H](C)[N@H+](CCC[NH3+])C1CCCC1 ZINC000037299694 173105051 /nfs/dbraw/zinc/10/50/51/173105051.db2.gz MDZBXCVGAAZUIF-QWHCGFSZSA-N 2 0 269.433 1.883 10 0 CDAERP CC[C@H]1C[C@@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)CO1 ZINC000657306357 414149567 /nfs/dbraw/zinc/14/95/67/414149567.db2.gz VWFRJROPVRKVOF-CABCVRRESA-N 2 0 269.433 1.170 10 0 CDAERP COCCCn1nccc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655824541 414226634 /nfs/dbraw/zinc/22/66/34/414226634.db2.gz LKZLNEWGINSWCZ-OTVXOJSOSA-N 2 0 280.416 1.349 10 0 CDAERP CC[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)CO1 ZINC000657358114 414229240 /nfs/dbraw/zinc/22/92/40/414229240.db2.gz BHCLIAOFHSKQCX-IJEWVQPXSA-N 2 0 281.444 1.312 10 0 CDAERP C[C@@H]1C[N@@H+](CCN2CCC([NH+](C)C)CC2)C[C@H](C)O1 ZINC000659839829 414171853 /nfs/dbraw/zinc/17/18/53/414171853.db2.gz YRWMKFZHFMGGFS-OKILXGFUSA-N 2 0 269.433 1.122 10 0 CDAERP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)C1CC[NH+](C)CC1 ZINC000655805733 414197515 /nfs/dbraw/zinc/19/75/15/414197515.db2.gz KQKKHUCLSFCLKS-NFAWXSAZSA-N 3 0 253.434 1.647 10 0 CDAERP [NH3+]C[C@H]1CCCC[C@@H]1NCc1nc2c(s1)C[NH2+]CC2 ZINC000663495231 414292335 /nfs/dbraw/zinc/29/23/35/414292335.db2.gz WCMCMMALEPVTMM-MNOVXSKESA-N 2 0 280.441 1.396 10 0 CDAERP CC[C@H](CO)[NH+]1CCN(CC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000659961339 414300328 /nfs/dbraw/zinc/30/03/28/414300328.db2.gz SWEMQSNAEQTBEZ-IXDOHACOSA-N 2 0 297.487 1.353 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+]C2CCSCC2)CC1 ZINC000663505284 414307270 /nfs/dbraw/zinc/30/72/70/414307270.db2.gz GVDGAFZJHPOHPB-UHFFFAOYSA-N 2 0 299.484 1.462 10 0 CDAERP C[NH2+]C[C@@H](C)NCc1cn(-c2cc[nH+]cc2)nc1C ZINC000663510032 414312411 /nfs/dbraw/zinc/31/24/11/414312411.db2.gz NXGJRWLWSYZOKD-LLVKDONJSA-N 2 0 259.357 1.273 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NCC[C@@H](C)[NH+](C)C ZINC000663624246 414378792 /nfs/dbraw/zinc/37/87/92/414378792.db2.gz MTMABIADPNAGMQ-CHWSQXEVSA-N 2 0 272.437 1.356 10 0 CDAERP CC[C@@H](C)[NH2+]CC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000037826125 173782070 /nfs/dbraw/zinc/78/20/70/173782070.db2.gz ANDIOLMEWZWAOU-GFCCVEGCSA-N 2 0 255.406 1.175 10 0 CDAERP O[C@@H]1CC[N@@H+](C2CC[NH+](CCC[C@H]3CCOC3)CC2)C1 ZINC000662149354 414538367 /nfs/dbraw/zinc/53/83/67/414538367.db2.gz NMHGNJBQKRCUPJ-GOEBONIOSA-N 2 0 282.428 1.334 10 0 CDAERP COC[C@H](C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)OC ZINC000662278030 414608353 /nfs/dbraw/zinc/60/83/53/414608353.db2.gz ZLVXKTLPLOLKBV-HZSPNIEDSA-N 2 0 256.390 1.112 10 0 CDAERP C(C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)OC[C@@H]1CCCO1 ZINC000662297227 414622194 /nfs/dbraw/zinc/62/21/94/414622194.db2.gz OPLCYXXXJHBFEE-SJORKVTESA-N 2 0 296.455 1.894 10 0 CDAERP COCCCC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319278 414637676 /nfs/dbraw/zinc/63/76/76/414637676.db2.gz GDUDGXLIYKHBCG-AWEZNQCLSA-N 2 0 258.406 1.456 10 0 CDAERP C[C@H](CNC(=O)[C@](C)([NH3+])C1CC1)[NH+]1CCCCC1 ZINC000038029407 174020819 /nfs/dbraw/zinc/02/08/19/174020819.db2.gz FBGAQPUSOJYVCY-BXUZGUMPSA-N 2 0 253.390 1.104 10 0 CDAERP Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]CC2CC[NH2+]CC2)cn1 ZINC000662309988 414631856 /nfs/dbraw/zinc/63/18/56/414631856.db2.gz FSYPNFJVOAYWRS-CVEARBPZSA-N 2 0 276.428 1.721 10 0 CDAERP C[NH+](C)CCC[C@@H]1CN(CCC[NH+]2CCCCC2)CCO1 ZINC000662321860 414640165 /nfs/dbraw/zinc/64/01/65/414640165.db2.gz FGAFGFUXOBAVJD-QGZVFWFLSA-N 2 0 297.487 1.905 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@H]([NH3+])Cc2ccccc2)C1 ZINC000040503535 174300344 /nfs/dbraw/zinc/30/03/44/174300344.db2.gz AMDCGTQTJYLMHO-LSDHHAIUSA-N 2 0 275.396 1.157 10 0 CDAERP O=C([C@@H]1CCC[N@@H+]1C1CCCCCC1)N1CC[NH2+]CC1 ZINC000040508055 174302833 /nfs/dbraw/zinc/30/28/33/174302833.db2.gz FBBOEJGETQNBNS-HNNXBMFYSA-N 2 0 279.428 1.605 10 0 CDAERP CO[C@@H]1C[NH2+][C@H](CN2CCC([NH+]3CCCCC3)CC2)C1 ZINC000040694408 174377807 /nfs/dbraw/zinc/37/78/07/174377807.db2.gz DCINJDZASXRPGO-HOCLYGCPSA-N 2 0 281.444 1.314 10 0 CDAERP C[C@@H](C(=O)Nc1ccccc1C[NH3+])[N@@H+]1CC[C@@H](C)C1 ZINC000040717000 174384321 /nfs/dbraw/zinc/38/43/21/174384321.db2.gz CNXXZQBYQCIODX-NEPJUHHUSA-N 2 0 261.369 1.814 10 0 CDAERP Cc1cc(NC(=O)CC[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)no1 ZINC000040749931 174395190 /nfs/dbraw/zinc/39/51/90/174395190.db2.gz ODZLXXDMJTWKGX-YOGCLGLASA-N 2 0 278.356 1.266 10 0 CDAERP CC(C)([NH3+])C(=O)Nc1ccccc1C[NH+]1CCCC1 ZINC000040922519 174434593 /nfs/dbraw/zinc/43/45/93/174434593.db2.gz FYNGGYUHHFWLIJ-UHFFFAOYSA-N 2 0 261.369 1.958 10 0 CDAERP C[C@H]([NH3+])[C@@H](c1cccnc1)N(C)C1CC[NH+](C)CC1 ZINC000043345685 175017015 /nfs/dbraw/zinc/01/70/15/175017015.db2.gz ZQUXTXOIALPLMY-WFASDCNBSA-N 2 0 262.401 1.496 10 0 CDAERP CC[C@H]([NH3+])[C@H](c1cccnc1)N1CCC([NH+](C)C)CC1 ZINC000043346805 175017300 /nfs/dbraw/zinc/01/73/00/175017300.db2.gz KVDQVCKYJPNADN-HOTGVXAUSA-N 2 0 276.428 1.886 10 0 CDAERP CC[C@@H]([NH3+])[C@H](N(C)C1CC[NH+](C)CC1)C(F)(F)F ZINC000043376457 175030034 /nfs/dbraw/zinc/03/00/34/175030034.db2.gz ORMMADQZFCVWIM-MNOVXSKESA-N 2 0 267.339 1.681 10 0 CDAERP Cc1ccc(C(N)=[NH2+])c(N(C)C2CC[NH+](C)CC2)n1 ZINC000043400978 175036661 /nfs/dbraw/zinc/03/66/61/175036661.db2.gz BJYYBQLJTZLUND-UHFFFAOYSA-N 2 0 261.373 1.204 10 0 CDAERP CCC[NH+]1CCN([C@@H]2CCCC[C@@H]2[NH2+]CC)CC1 ZINC000043805552 175107568 /nfs/dbraw/zinc/10/75/68/175107568.db2.gz KDPRVHULTIJVKL-LSDHHAIUSA-N 2 0 253.434 1.935 10 0 CDAERP CC[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccc2c(c1)OCO2 ZINC000043810769 175110414 /nfs/dbraw/zinc/11/04/14/175110414.db2.gz KJRYBSWJTBNGAA-CQSZACIVSA-N 2 0 291.395 1.313 10 0 CDAERP C[NH2+][C@H]1c2ccccc2OC[C@H]1N1CC[NH+](C(C)C)CC1 ZINC000043896991 175120044 /nfs/dbraw/zinc/12/00/44/175120044.db2.gz QJXMXHWJVRVLSB-WBVHZDCISA-N 2 0 289.423 1.734 10 0 CDAERP C[NH2+][C@@H]1CCCCC[C@@H]1N1CC[NH+](C2CC2)CC1 ZINC000043967521 175128513 /nfs/dbraw/zinc/12/85/13/175128513.db2.gz QZAIINDKPMTHFE-CABCVRRESA-N 2 0 251.418 1.687 10 0 CDAERP CCC[C@@H]([NH2+]C)[C@@H](CC)N1CC[NH+](C2CC2)CC1 ZINC000043967585 175128669 /nfs/dbraw/zinc/12/86/69/175128669.db2.gz MHLDWZIZKVRXFF-HUUCEWRRSA-N 2 0 253.434 1.933 10 0 CDAERP CCC[NH2+][C@H]1CCC[C@H]1N1CC[NH+](CC2CC2)CC1 ZINC000043968003 175129281 /nfs/dbraw/zinc/12/92/81/175129281.db2.gz NZEKLIGNUVMRKH-JKSUJKDBSA-N 2 0 265.445 1.935 10 0 CDAERP C[NH+]1CCC(C[NH2+]C[C@H](O)COC2CCCCC2)CC1 ZINC000044518081 175191054 /nfs/dbraw/zinc/19/10/54/175191054.db2.gz FLYIYIROOPJECD-HNNXBMFYSA-N 2 0 284.444 1.628 10 0 CDAERP C[N@@H+]1CCC[C@H](C[NH2+]CCCOCC(F)(F)F)C1 ZINC000044536213 175198197 /nfs/dbraw/zinc/19/81/97/175198197.db2.gz IPKADSCSSTVCNF-LLVKDONJSA-N 2 0 268.323 1.887 10 0 CDAERP CCC[NH2+]C1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000044562907 175205479 /nfs/dbraw/zinc/20/54/79/175205479.db2.gz DVWYFTYECROKLZ-OAHLLOKOSA-N 2 0 253.434 1.935 10 0 CDAERP C[C@H]1CCC[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2C)[NH2+]1 ZINC000044564930 175207490 /nfs/dbraw/zinc/20/74/90/175207490.db2.gz BOXXAJZVTODOMR-RWMBFGLXSA-N 2 0 253.390 1.118 10 0 CDAERP CC[NH2+][C@H]1CCN([C@@H]2CC[N@@H+](C3CC3)C2)C[C@@H]1C ZINC000044725438 175238259 /nfs/dbraw/zinc/23/82/59/175238259.db2.gz HPSGPKYKCYZXPJ-CFVMTHIKSA-N 2 0 251.418 1.543 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CNC(=O)C1(C[NH3+])CCCCCC1 ZINC000044753443 175245886 /nfs/dbraw/zinc/24/58/86/175245886.db2.gz CKBRNVUSZJCMIN-AWEZNQCLSA-N 2 0 281.444 1.886 10 0 CDAERP C[N@@H+]1CC[C@@H](CNC(=O)C2(C[NH3+])CCCCCC2)C1 ZINC000044763040 175247109 /nfs/dbraw/zinc/24/71/09/175247109.db2.gz GZMQCLGLALDLNW-ZDUSSCGKSA-N 2 0 267.417 1.354 10 0 CDAERP CCCNC(=O)CC[NH2+][C@H](C)[C@H]1CCC[N@H+](CC)C1 ZINC000045072507 175302245 /nfs/dbraw/zinc/30/22/45/175302245.db2.gz UHLIRSWRUXCXMY-KGLIPLIRSA-N 2 0 269.433 1.613 10 0 CDAERP C[NH2+][C@@](C)(CCCC[N@H+](C)C1CCCCC1)C(N)=O ZINC000045379081 175368692 /nfs/dbraw/zinc/36/86/92/175368692.db2.gz ZEYZGJNAECQXDG-HNNXBMFYSA-N 2 0 269.433 1.885 10 0 CDAERP CC[NH2+][C@](C)(CCC[N@H+](CC)CC(C)C)C(N)=O ZINC000045381839 175369781 /nfs/dbraw/zinc/36/97/81/175369781.db2.gz WUCVRKOLAIPKRU-CQSZACIVSA-N 2 0 257.422 1.598 10 0 CDAERP CCC[NH2+][C@H]1CCCN(C[C@@H](C)C[NH+]2CCCC2)C1=O ZINC000071031234 176022653 /nfs/dbraw/zinc/02/26/53/176022653.db2.gz REDHOUNHVKMSOH-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP CC[NH+](CC)CCCN1CCC[C@H]([NH2+]C(C)C)C1=O ZINC000071033353 176023730 /nfs/dbraw/zinc/02/37/30/176023730.db2.gz PWEHARHZGOJULI-AWEZNQCLSA-N 2 0 269.433 1.707 10 0 CDAERP CCC[NH2+][C@@H]1CCCN([C@@H]2CC[N@@H+](C3CC3)C2)C1=O ZINC000071034038 176024442 /nfs/dbraw/zinc/02/44/42/176024442.db2.gz NQOHLTUGERJLHE-ZIAGYGMSSA-N 2 0 265.401 1.214 10 0 CDAERP CCC[NH2+][C@H]1CCCN([C@H](C)C[NH+](CC)CC)C1=O ZINC000071034725 176024552 /nfs/dbraw/zinc/02/45/52/176024552.db2.gz IGRALQHDDVZBDI-KGLIPLIRSA-N 2 0 269.433 1.707 10 0 CDAERP CCC[NH2+][C@@H]1CCN(C[C@H](C)[NH+]2CCCCC2)C1=O ZINC000071036389 176026040 /nfs/dbraw/zinc/02/60/40/176026040.db2.gz FCDJERANWAQSMT-UONOGXRCSA-N 2 0 267.417 1.461 10 0 CDAERP CC[NH2+][C@@H]1CCN([C@@H](C)CCC[NH+](CC)CC)C1=O ZINC000071038082 176026873 /nfs/dbraw/zinc/02/68/73/176026873.db2.gz BAMPCCDLMCAIDT-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP CC[C@H]1CCC[C@](C[NH3+])(N2CCC[N@H+](C)CC2)C1 ZINC000071123095 176034858 /nfs/dbraw/zinc/03/48/58/176034858.db2.gz PZMRLOWPZJHHMQ-GJZGRUSLSA-N 2 0 253.434 1.922 10 0 CDAERP CN(Cc1cc(N)cc2c1OCOC2)C[C@@H]1CC[N@H+](C)C1 ZINC000071187687 176060564 /nfs/dbraw/zinc/06/05/64/176060564.db2.gz NGCGRPOKISYVOJ-GFCCVEGCSA-N 2 0 291.395 1.519 10 0 CDAERP COc1cccc([C@@H]([C@@H](C)[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000071187945 176062093 /nfs/dbraw/zinc/06/20/93/176062093.db2.gz CRZNAOLQKLZAON-CKEIUWERSA-N 2 0 291.439 1.967 10 0 CDAERP C[NH2+][C@H]1CCCC[C@@H]1CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191391 176069300 /nfs/dbraw/zinc/06/93/00/176069300.db2.gz NGMSZCLOIDADHE-KFWWJZLASA-N 2 0 253.434 1.648 10 0 CDAERP NC(=O)C[N@H+](Cc1ccc(F)cc1C[NH3+])C1CCCC1 ZINC000071263455 176096641 /nfs/dbraw/zinc/09/66/41/176096641.db2.gz KSJYMUPLDSADEL-UHFFFAOYSA-N 2 0 279.359 1.514 10 0 CDAERP CCCN([C@@H]1CC[NH2+]C1)C1CC[NH+](CCC)CC1 ZINC000071314685 176121205 /nfs/dbraw/zinc/12/12/05/176121205.db2.gz MWPHELFHPMGCOR-OAHLLOKOSA-N 2 0 253.434 1.935 10 0 CDAERP C[C@@H]([NH3+])[C@@H](c1ccccc1)N1CC[NH+](CC(C)(C)O)CC1 ZINC000071380169 176144297 /nfs/dbraw/zinc/14/42/97/176144297.db2.gz ALOQGZDVQLWNHZ-ZBFHGGJFSA-N 2 0 291.439 1.463 10 0 CDAERP CC[C@H]([NH3+])[C@@H](c1ccco1)N1CC[NH+](CC(C)(C)O)CC1 ZINC000071380198 176144312 /nfs/dbraw/zinc/14/43/12/176144312.db2.gz KRFXCJLMHZMPIO-ZFWWWQNUSA-N 2 0 295.427 1.447 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000418550365 287627995 /nfs/dbraw/zinc/62/79/95/287627995.db2.gz AMBVAGMCMHDZDB-QLFBSQMISA-N 2 0 294.443 1.254 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001666668132 1173169758 /nfs/dbraw/zinc/16/97/58/1173169758.db2.gz ZVIWXKMMOJMLJT-OLZOCXBDSA-N 2 0 273.396 1.172 10 0 CDAERP COc1cccc([C@@H](C)[NH+]2CCC(O)(C[NH3+])CC2)c1 ZINC000397045447 270346186 /nfs/dbraw/zinc/34/61/86/270346186.db2.gz UWSSOFXZBBPKAG-GFCCVEGCSA-N 2 0 264.369 1.542 10 0 CDAERP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cnc(N2CCOCC2)s1 ZINC000663498568 423889365 /nfs/dbraw/zinc/88/93/65/423889365.db2.gz PNPWQKLSKCFESE-CYBMUJFWSA-N 2 0 298.456 1.443 10 0 CDAERP [NH3+]C[C@@H](NCc1nc2c(s1)C[NH2+]CC2)C1CCCCC1 ZINC000663495377 423886833 /nfs/dbraw/zinc/88/68/33/423886833.db2.gz XFEMIPFAROIVFS-CYBMUJFWSA-N 2 0 294.468 1.786 10 0 CDAERP CCC[N@@H+]1CC[C@@H](NC(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000659504862 423821506 /nfs/dbraw/zinc/82/15/06/423821506.db2.gz BZRVVZJMDLWCDW-CQSZACIVSA-N 2 0 296.459 1.822 10 0 CDAERP COc1cc(C[NH2+]CC[C@@H]([NH3+])C(C)C)cc2c1OCCO2 ZINC000663498899 423893764 /nfs/dbraw/zinc/89/37/64/423893764.db2.gz SMAVMTHMYICTEI-CYBMUJFWSA-N 2 0 294.395 1.929 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2ccccn2)CC1 ZINC000663503866 423900920 /nfs/dbraw/zinc/90/09/20/423900920.db2.gz RPQRARUBAIYJRB-UHFFFAOYSA-N 2 0 290.411 1.162 10 0 CDAERP C[C@@H](NC(=O)NCCC1(C[NH3+])CC1)C1=CC[N@H+](C)CC1 ZINC000652177907 424000151 /nfs/dbraw/zinc/00/01/51/424000151.db2.gz YOSHHKREMQFWBI-GFCCVEGCSA-N 2 0 280.416 1.065 10 0 CDAERP C[NH+](C)Cc1cccc(C(=O)N[C@@H](C[NH3+])C(F)(F)F)c1 ZINC000655513819 423976276 /nfs/dbraw/zinc/97/62/76/423976276.db2.gz FMJLPVZXKKBZPZ-NSHDSACASA-N 2 0 289.301 1.368 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655247189 424096465 /nfs/dbraw/zinc/09/64/65/424096465.db2.gz VWZFMVLFFBTGKW-MJBXVCDLSA-N 2 0 267.417 1.317 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000652224542 424085338 /nfs/dbraw/zinc/08/53/38/424085338.db2.gz BDZYKHZYSNHCJC-STQMWFEESA-N 2 0 270.421 1.095 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000652202877 424057440 /nfs/dbraw/zinc/05/74/40/424057440.db2.gz WUTRKLCLOGXKJE-HUUCEWRRSA-N 2 0 298.475 1.652 10 0 CDAERP C[C@H]1C[C@H](N(C)C(=O)NCCC2(C[NH3+])CC2)CC[N@@H+]1C ZINC000652241212 424123027 /nfs/dbraw/zinc/12/30/27/424123027.db2.gz ZTLIVYVWGDZEDN-QWHCGFSZSA-N 2 0 282.432 1.240 10 0 CDAERP CC(C)[NH2+][C@@H]1CCCN(C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652241308 424123331 /nfs/dbraw/zinc/12/33/31/424123331.db2.gz CXJKNRHEDVGPPB-CYBMUJFWSA-N 2 0 282.432 1.287 10 0 CDAERP O=C([C@H]1CC[C@H](C2CC2)[NH2+]1)N1CCC([NH2+]CC2CC2)CC1 ZINC000653053763 424178289 /nfs/dbraw/zinc/17/82/89/424178289.db2.gz IJZJRMXJRDCDLE-HZPDHXFCSA-N 2 0 291.439 1.508 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662710618 424360675 /nfs/dbraw/zinc/36/06/75/424360675.db2.gz IUODLLDYKMKFTE-CYDGBPFRSA-N 2 0 253.390 1.103 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000659620231 424414417 /nfs/dbraw/zinc/41/44/17/424414417.db2.gz YKYXBNJJDFSUHS-JHJVBQTASA-N 2 0 270.421 1.129 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[C@@H]([NH3+])C(C)C)C[C@@H]1C ZINC000659620188 424415461 /nfs/dbraw/zinc/41/54/61/424415461.db2.gz BZGSQXWCJLSHPP-SOUVJXGZSA-N 2 0 298.475 1.874 10 0 CDAERP CC1([NH3+])CCN(C(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000662769528 424432463 /nfs/dbraw/zinc/43/24/63/424432463.db2.gz GHBYQZGPXLROBV-UHFFFAOYSA-N 2 0 251.374 1.001 10 0 CDAERP CO[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)[C@@H]1CCOC1 ZINC000665235692 424470025 /nfs/dbraw/zinc/47/00/25/424470025.db2.gz YSRBPMGCAUGBKS-MSQAHXEGSA-N 2 0 276.380 1.772 10 0 CDAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCSC1 ZINC000186566265 270263915 /nfs/dbraw/zinc/26/39/15/270263915.db2.gz APAXBUNQRCBEAV-ZIAGYGMSSA-N 2 0 271.474 1.498 10 0 CDAERP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H](n1cccn1)C(F)(F)F ZINC000530208667 271152077 /nfs/dbraw/zinc/15/20/77/271152077.db2.gz GOEGBAZRWZWOBS-WOPDTQHZSA-N 2 0 290.333 1.964 10 0 CDAERP C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@H]1CC[NH2+]C12CCC2 ZINC000530215790 271157936 /nfs/dbraw/zinc/15/79/36/271157936.db2.gz IZZDHJHJWZLRHL-IMJJTQAJSA-N 2 0 273.424 1.819 10 0 CDAERP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1c2ccccc2C(=O)N1C ZINC000530222131 271163049 /nfs/dbraw/zinc/16/30/49/271163049.db2.gz FVVXMZPHYJUGLL-WQVCFCJDSA-N 2 0 287.407 1.791 10 0 CDAERP CC(C)OCCC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530239588 271177677 /nfs/dbraw/zinc/17/76/77/271177677.db2.gz GMGWUOCLNDSDEW-INIZCTEOSA-N 2 0 284.444 1.892 10 0 CDAERP CC(C)OCC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530238793 271177691 /nfs/dbraw/zinc/17/76/91/271177691.db2.gz CFZCMZHZOAPFTL-OAHLLOKOSA-N 2 0 270.417 1.502 10 0 CDAERP CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001668059880 1173363522 /nfs/dbraw/zinc/36/35/22/1173363522.db2.gz KRRIVMFUFZOQCX-STQMWFEESA-N 2 0 255.406 1.364 10 0 CDAERP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCCC[NH+](C)C)[C@@H]1C ZINC000354206461 277065535 /nfs/dbraw/zinc/06/55/35/277065535.db2.gz CIGSUCLVSVGSTN-HZSPNIEDSA-N 2 0 270.417 1.896 10 0 CDAERP CC(C)(C)[NH+]1CCC(N[C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000422987773 277151819 /nfs/dbraw/zinc/15/18/19/277151819.db2.gz JCHRDFMPKAGDCW-HOTGVXAUSA-N 2 0 295.471 1.606 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)C[NH+]1CCCC1 ZINC000251137358 278205567 /nfs/dbraw/zinc/20/55/67/278205567.db2.gz VRHDNJIWMUFBRR-WCVJEAGWSA-N 2 0 293.455 1.755 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)[C@H]1C ZINC000361329559 278367018 /nfs/dbraw/zinc/36/70/18/278367018.db2.gz BMTWTMAGLFMNNN-STQMWFEESA-N 2 0 279.428 1.460 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089459654 278804538 /nfs/dbraw/zinc/80/45/38/278804538.db2.gz IDBSQDHJKMZFHM-TZMCWYRMSA-N 2 0 267.417 1.352 10 0 CDAERP CC[NH+](CC(C)C[N@@H+](CC)[C@@H]1CCOC1)[C@@H]1CCOC1 ZINC000361589878 279063390 /nfs/dbraw/zinc/06/33/90/279063390.db2.gz RRPWSZIWHZQGCN-HZPDHXFCSA-N 2 0 284.444 1.844 10 0 CDAERP CC[NH+](CC)CCCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000349805606 279097080 /nfs/dbraw/zinc/09/70/80/279097080.db2.gz YIUDBSJBFSNPSB-OAHLLOKOSA-N 2 0 296.459 1.596 10 0 CDAERP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1COC2(CCOCC2)O1 ZINC000245565524 288104658 /nfs/dbraw/zinc/10/46/58/288104658.db2.gz PSTWMLFSAYSZNY-KBXIAJHMSA-N 2 0 298.427 1.227 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000055089822 279131358 /nfs/dbraw/zinc/13/13/58/279131358.db2.gz OLVPVPOWTBUBEM-MELADBBJSA-N 2 0 269.433 1.596 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415105501 279179068 /nfs/dbraw/zinc/17/90/68/279179068.db2.gz IDKQADMTLQQTTR-JYJNAYRXSA-N 2 0 283.460 1.578 10 0 CDAERP CC(C)C[C@H]([NH3+])C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000415100223 279180608 /nfs/dbraw/zinc/18/06/08/279180608.db2.gz HRSCZFBKVNMWAB-FQUUOJAGSA-N 2 0 252.402 1.907 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+]3CCCC[C@@H]3C2)C1 ZINC000105174455 279319113 /nfs/dbraw/zinc/31/91/13/279319113.db2.gz REKWZWMYYWNNDP-LSDHHAIUSA-N 2 0 294.443 1.350 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC000121908617 279324377 /nfs/dbraw/zinc/32/43/77/279324377.db2.gz YZTDRVNWQVTXEJ-HNNXBMFYSA-N 2 0 281.444 1.661 10 0 CDAERP C[C@H]1C[NH2+]CCN1C(=O)NCC[NH2+]C1CCCCCC1 ZINC000333478911 279906127 /nfs/dbraw/zinc/90/61/27/279906127.db2.gz BWEAVNFRJSVBNE-ZDUSSCGKSA-N 2 0 282.432 1.302 10 0 CDAERP CC(C)[C@H](C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)[NH+]1CCCCC1 ZINC000262803173 280179900 /nfs/dbraw/zinc/17/99/00/280179900.db2.gz ODHRECZMDDDJGX-RBSFLKMASA-N 2 0 281.444 1.611 10 0 CDAERP C[C@@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)[NH+](C)C1CC1 ZINC000246187325 280261844 /nfs/dbraw/zinc/26/18/44/280261844.db2.gz MESORDHXPMGDNL-VNHYZAJKSA-N 2 0 296.459 1.593 10 0 CDAERP C[NH+](C)C[C@@H]1CCN(CCC[N@@H+]2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000247071657 280318371 /nfs/dbraw/zinc/31/83/71/280318371.db2.gz SFHWDARMWCESNO-IRXDYDNUSA-N 4 0 296.503 1.144 10 0 CDAERP CC[C@H]1CN(c2cc[nH+]cc2C)CC[N@@H+]1C[C@H](C)O ZINC000248654148 280371200 /nfs/dbraw/zinc/37/12/00/280371200.db2.gz CJKHNZDMYNDJQX-KBPBESRZSA-N 2 0 263.385 1.671 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN[C@H]1C[NH2+]CC[C@@H]1C ZINC000518339181 281017971 /nfs/dbraw/zinc/01/79/71/281017971.db2.gz QMOTYGBWOBJXAT-LRDDRELGSA-N 2 0 285.395 1.663 10 0 CDAERP CC(C)(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)N1CCCC1 ZINC000527813952 281191088 /nfs/dbraw/zinc/19/10/88/281191088.db2.gz XCAHOQBTJBRWSF-CABCVRRESA-N 2 0 293.455 1.851 10 0 CDAERP CC[NH+](CC)CCC[N@@H+]1CC2(CCOCC2)CC[C@H]1CO ZINC000528644013 281264908 /nfs/dbraw/zinc/26/49/08/281264908.db2.gz INXGIWFZRNCQIF-INIZCTEOSA-N 2 0 298.471 1.972 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC2(CCOCC2)CC[C@@H]1CO ZINC000528643619 281264998 /nfs/dbraw/zinc/26/49/98/281264998.db2.gz GXGYXPGKVBCMEC-HZPDHXFCSA-N 2 0 296.455 1.724 10 0 CDAERP Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCCC[NH3+])[NH+](C)C ZINC000418174496 281362011 /nfs/dbraw/zinc/36/20/11/281362011.db2.gz FARRYJNRCDLACT-DZGCQCFKSA-N 2 0 292.427 1.634 10 0 CDAERP C[C@@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1cccnc1 ZINC000531118857 281688295 /nfs/dbraw/zinc/68/82/95/281688295.db2.gz KJDYIQJLEZXTRR-CQSZACIVSA-N 2 0 292.427 1.137 10 0 CDAERP C[NH+](C)[C@@H]1CCN(C(=O)NCC[N@H+](C)C2CCCC2)C1 ZINC000105294789 289311663 /nfs/dbraw/zinc/31/16/63/289311663.db2.gz MDTDGNVHXCXMBV-CQSZACIVSA-N 2 0 282.432 1.206 10 0 CDAERP C[C@H](C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)[NH+]1CCCCCC1 ZINC000247392665 289312241 /nfs/dbraw/zinc/31/22/41/289312241.db2.gz GUNZTIFPCVMAJG-OAGGEKHMSA-N 2 0 293.455 1.946 10 0 CDAERP C[C@H](NCCC[NH+]1CCC(C)CC1)[C@H]1CC[NH2+]C1 ZINC000400411685 289952505 /nfs/dbraw/zinc/95/25/05/289952505.db2.gz UIKGBHOAMDSIDR-GJZGRUSLSA-N 2 0 253.434 1.696 10 0 CDAERP C[N@@H+]1CC[C@H](NCCC[NH2+]C2CC2)[C@@H]2CCC[C@H]21 ZINC000423574456 290217279 /nfs/dbraw/zinc/21/72/79/290217279.db2.gz ZVVAGXPCAOSAGL-SOUVJXGZSA-N 2 0 251.418 1.591 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)c1ccc2c[nH+]cn2c1 ZINC000555930493 290247317 /nfs/dbraw/zinc/24/73/17/290247317.db2.gz PSWQDRPIDSKIQJ-UHFFFAOYSA-N 2 0 260.341 1.358 10 0 CDAERP C[C@H]1CC(C)(C)C[N@@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000334856420 290338384 /nfs/dbraw/zinc/33/83/84/290338384.db2.gz WVXJABAYXPJDKF-STQMWFEESA-N 2 0 267.417 1.304 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000563107314 293276786 /nfs/dbraw/zinc/27/67/86/293276786.db2.gz KKMDGBXMZBZHCE-XBFCOCLRSA-N 2 0 261.369 1.191 10 0 CDAERP C[NH2+]CCc1ccccc1C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000565599433 293644280 /nfs/dbraw/zinc/64/42/80/293644280.db2.gz IBSWWPVBNJRSLZ-SWLSCSKDSA-N 2 0 275.396 1.176 10 0 CDAERP C[C@@H]([NH3+])C[C@H](C)NC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000567266622 293749113 /nfs/dbraw/zinc/74/91/13/293749113.db2.gz CMWBMMPKHQRNDE-KGLIPLIRSA-N 2 0 292.427 1.325 10 0 CDAERP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000568511883 294049997 /nfs/dbraw/zinc/04/99/97/294049997.db2.gz ZNTKXUKUTMNXJM-RNJOBUHISA-N 2 0 253.390 1.103 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)[C@H]2CC[NH2+][C@H]2C)cc1 ZINC000568608792 294066244 /nfs/dbraw/zinc/06/62/44/294066244.db2.gz BEPPYKXRWCQBKO-MJVIPROJSA-N 2 0 261.369 1.321 10 0 CDAERP [NH3+]CC12CCC(CC1)CN2C(=O)c1ccc2c[nH+]cn2c1 ZINC000571814990 294510522 /nfs/dbraw/zinc/51/05/22/294510522.db2.gz MQALHIVZUUHBRY-UHFFFAOYSA-N 2 0 284.363 1.678 10 0 CDAERP CC(C)C[C@H]([NH3+])c1noc([C@@H]2CC23CC[NH2+]CC3)n1 ZINC000573119579 294757714 /nfs/dbraw/zinc/75/77/14/294757714.db2.gz DKCWHASKMXYMKB-QWRGUYRKSA-N 2 0 264.373 1.973 10 0 CDAERP CC[C@H](C(=O)NC/C=C\C[NH2+]Cc1ccsc1)[NH+](C)C ZINC001668882337 1173476704 /nfs/dbraw/zinc/47/67/04/1173476704.db2.gz FRPJVCARJNYSTN-GEXIGZQTSA-N 2 0 295.452 1.850 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000371232275 295306770 /nfs/dbraw/zinc/30/67/70/295306770.db2.gz RNQIGWFGWZLLHK-XJFOESAGSA-N 2 0 265.401 1.104 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)CC[NH2+]1 ZINC000262380240 300396188 /nfs/dbraw/zinc/39/61/88/300396188.db2.gz NROZNXNCAZCAPR-XUXIUFHCSA-N 2 0 267.417 1.173 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC1CC1 ZINC001669482873 1173555476 /nfs/dbraw/zinc/55/54/76/1173555476.db2.gz RQIFUCPXUVNMQL-TZMCWYRMSA-N 2 0 267.417 1.365 10 0 CDAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1COCC1(C)C ZINC000423150325 302589521 /nfs/dbraw/zinc/58/95/21/302589521.db2.gz BOPZFAOQYCMNPT-FZMZJTMJSA-N 2 0 263.385 1.924 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCC1CC1 ZINC001669751041 1173593144 /nfs/dbraw/zinc/59/31/44/1173593144.db2.gz WLJQYVMEXPAQIJ-ZFWWWQNUSA-N 2 0 281.444 1.755 10 0 CDAERP COC[C@@H](C)[N@@H+]1CC[C@@](C)(NC(=O)CCCC[NH+](C)C)C1 ZINC001671683955 1173703833 /nfs/dbraw/zinc/70/38/33/1173703833.db2.gz IBHBWPZDKXVJES-GDBMZVCRSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001671810381 1173713472 /nfs/dbraw/zinc/71/34/72/1173713472.db2.gz PCJQZHFSBQZYTR-QGZVFWFLSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)CC(CC(C)C)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000570155849 316921168 /nfs/dbraw/zinc/92/11/68/316921168.db2.gz RMDZJOWTQWNMDP-KRWDZBQOSA-N 2 0 299.503 1.645 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCc1ccc2c(c1)OCO2 ZINC000576507208 317150960 /nfs/dbraw/zinc/15/09/60/317150960.db2.gz QMVSTEOCYRPRFW-CYBMUJFWSA-N 2 0 280.368 1.301 10 0 CDAERP Cn1cc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c(C(F)(F)F)n1 ZINC000576648575 317181231 /nfs/dbraw/zinc/18/12/31/317181231.db2.gz PXQUPAXERAEWCO-NXEZZACHSA-N 2 0 276.306 1.798 10 0 CDAERP CC(C)[NH2+]CCC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000577712322 317385798 /nfs/dbraw/zinc/38/57/98/317385798.db2.gz HPTIZBBYNQVWGH-GFCCVEGCSA-N 2 0 263.385 1.711 10 0 CDAERP Cn1c2ccc(C[N@H+](C)CCC[NH3+])cc2sc1=O ZINC000579473932 324196622 /nfs/dbraw/zinc/19/66/22/324196622.db2.gz TXGAHXJISXYLHK-UHFFFAOYSA-N 2 0 265.382 1.381 10 0 CDAERP C[NH+](C)C1(C(=O)N2CC[C@H](C[NH2+]C/C=C\Cl)C2)CCC1 ZINC001267045817 1159096621 /nfs/dbraw/zinc/09/66/21/1159096621.db2.gz UIYZZQFRDNQVKG-IBSXUBTNSA-N 2 0 299.846 1.661 10 0 CDAERP COCC[NH2+]C1CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC000584236422 327072814 /nfs/dbraw/zinc/07/28/14/327072814.db2.gz HOSFVODOBZGNPP-HNNXBMFYSA-N 2 0 270.417 1.646 10 0 CDAERP Cc1cc(C[NH2+]CC2CC[NH+](C[C@H](C)O)CC2)on1 ZINC000069621893 327100272 /nfs/dbraw/zinc/10/02/72/327100272.db2.gz VEXHTVDMJRQUQO-LBPRGKRZSA-N 2 0 267.373 1.165 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CCCOC ZINC001698861316 1159131692 /nfs/dbraw/zinc/13/16/92/1159131692.db2.gz OUXUBNYVTMRLEC-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001731445412 1159297152 /nfs/dbraw/zinc/29/71/52/1159297152.db2.gz LXDVNUOFNKUPDH-JOCQHMNTSA-N 2 0 267.417 1.508 10 0 CDAERP CCN(CC[NH2+]C[C@H](C)OC)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001268448794 1159938319 /nfs/dbraw/zinc/93/83/19/1159938319.db2.gz BKLVOTIKHQTIPU-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP CN(CCC[NH2+]C/C=C/Cl)C(=O)C12CC[NH+](CC1)C2 ZINC001268914739 1160022875 /nfs/dbraw/zinc/02/28/75/1160022875.db2.gz DYSOPSIGVDUTLS-QHHAFSJGSA-N 2 0 285.819 1.273 10 0 CDAERP CCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001268944250 1160025694 /nfs/dbraw/zinc/02/56/94/1160025694.db2.gz PVEVTKOURCNDHZ-FXUDXRNXSA-N 2 0 293.455 1.802 10 0 CDAERP CCC(C)(C)[NH+]1CCN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000655494288 482423705 /nfs/dbraw/zinc/42/37/05/482423705.db2.gz HMDPURHVGIWZGP-KBPBESRZSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)NCCC1(C[NH3+])CC1 ZINC000652145689 482447013 /nfs/dbraw/zinc/44/70/13/482447013.db2.gz WAUJXXMIHBQDEC-LBPRGKRZSA-N 2 0 270.421 1.145 10 0 CDAERP CCC[NH2+]CCNC(=O)NCc1ccccc1C[NH2+]C ZINC000652210424 482458041 /nfs/dbraw/zinc/45/80/41/482458041.db2.gz SPVOIMRCKVLSMN-UHFFFAOYSA-N 2 0 278.400 1.205 10 0 CDAERP O=C(NC[C@@H]1CCCC[NH2+]1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000669509456 482513934 /nfs/dbraw/zinc/51/39/34/482513934.db2.gz HEYZWUDWOXXCPV-RQJABVFESA-N 2 0 265.401 1.165 10 0 CDAERP C[C@@H]([NH3+])CNC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000669517774 482543652 /nfs/dbraw/zinc/54/36/52/482543652.db2.gz SRKSHUGRTXHGQU-GFCCVEGCSA-N 2 0 275.396 1.306 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000417282980 482578666 /nfs/dbraw/zinc/57/86/66/482578666.db2.gz BWXYHTXMQTZSTA-GHMZBOCLSA-N 2 0 292.374 1.013 10 0 CDAERP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000684377394 482780618 /nfs/dbraw/zinc/78/06/18/482780618.db2.gz LKVXQOMRWZIIGQ-ARFHVFGLSA-N 2 0 283.460 1.417 10 0 CDAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCC[C@@H](OC)C2)CC1 ZINC000684376905 482781119 /nfs/dbraw/zinc/78/11/19/482781119.db2.gz GPNWQTGOJWMILD-IXDOHACOSA-N 2 0 297.487 1.807 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+]C[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656201343 482791566 /nfs/dbraw/zinc/79/15/66/482791566.db2.gz WALKDBQRJUKEGU-ZQDZILKHSA-N 2 0 271.449 1.591 10 0 CDAERP CN(C(=O)C[C@@H]1CCC[C@H]1[NH3+])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000261677106 482918709 /nfs/dbraw/zinc/91/87/09/482918709.db2.gz GMCXKHYXIBQBKP-IACUBPJLSA-N 2 0 265.401 1.199 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000674011969 482923224 /nfs/dbraw/zinc/92/32/24/482923224.db2.gz YJBDXFXGHSOWKA-HUUCEWRRSA-N 2 0 293.455 1.851 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089457854 483080964 /nfs/dbraw/zinc/08/09/64/483080964.db2.gz BXXPFNYKFHOZJL-KBPBESRZSA-N 2 0 269.433 1.408 10 0 CDAERP CC(C)(C[NH3+])NC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000667148789 483110561 /nfs/dbraw/zinc/11/05/61/483110561.db2.gz YHCAHZKGDZISJB-UHFFFAOYSA-N 2 0 274.328 1.126 10 0 CDAERP C[NH+]1CCN(c2ncccc2C[NH2+]C2CSC2)CC1 ZINC000679840234 483160009 /nfs/dbraw/zinc/16/00/09/483160009.db2.gz AZMATDUHAPPMPJ-UHFFFAOYSA-N 2 0 278.425 1.038 10 0 CDAERP Cn1cncc1CCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000315028158 483303388 /nfs/dbraw/zinc/30/33/88/483303388.db2.gz GJUFYCORNDCRLS-GOEBONIOSA-N 2 0 276.428 1.817 10 0 CDAERP C[C@@H]1CN(C)C[C@H]1[NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000675554497 483330593 /nfs/dbraw/zinc/33/05/93/483330593.db2.gz ZQXAXOUKSOJECO-BPLDGKMQSA-N 2 0 279.428 1.317 10 0 CDAERP C[C@@H]([NH2+]CC1(O)Cc2ccccc2C1)C1CC[NH+](C)CC1 ZINC000675895029 483378388 /nfs/dbraw/zinc/37/83/88/483378388.db2.gz YVFBXEJTZJIIFY-CQSZACIVSA-N 2 0 288.435 1.836 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)C[C@@H]([NH3+])C(C)C)CC1 ZINC000136322095 483390149 /nfs/dbraw/zinc/39/01/49/483390149.db2.gz OWRZTYYJBZIBPL-CQSZACIVSA-N 2 0 269.433 1.741 10 0 CDAERP COCCC[N@H+](CCO)Cc1ccnn1-c1cc[nH+]cc1 ZINC000668032291 483540891 /nfs/dbraw/zinc/54/08/91/483540891.db2.gz ZAUQKAHEWSWBLM-UHFFFAOYSA-N 2 0 290.367 1.098 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2CO[C@H](C3CC3)C2)C1 ZINC000668159276 483589665 /nfs/dbraw/zinc/58/96/65/483589665.db2.gz PRIHAEOXLROOEV-SNPRPXQTSA-N 2 0 252.402 1.874 10 0 CDAERP C[N@@H+]1CC[C@@H]2CN(Cc3ccnn3-c3cc[nH+]cc3)C[C@@H]21 ZINC000668217779 483626717 /nfs/dbraw/zinc/62/67/17/483626717.db2.gz RPXFQAWKGQNNGG-CJNGLKHVSA-N 2 0 283.379 1.403 10 0 CDAERP CC(C)[NH2+][C@@](C)(C[C@@H](C)N(C)CC[NH+]1CCCC1)C(N)=O ZINC000068646288 519736798 /nfs/dbraw/zinc/73/67/98/519736798.db2.gz CLSSJSGEOKRODJ-ZBFHGGJFSA-N 2 0 298.475 1.035 10 0 CDAERP CCCC1CC[NH+](CCC(=O)N(C)CCC[NH3+])CC1 ZINC000050893129 519900659 /nfs/dbraw/zinc/90/06/59/519900659.db2.gz HVWDCQBGTUUNFL-UHFFFAOYSA-N 2 0 269.433 1.696 10 0 CDAERP CCC[NH2+]Cc1cn(CC[N@H+](CCOC)CC(C)C)nn1 ZINC000052508585 519963462 /nfs/dbraw/zinc/96/34/62/519963462.db2.gz XKVROLIZVRFCTO-UHFFFAOYSA-N 2 0 297.447 1.382 10 0 CDAERP CCC[NH2+][C@@](C)(CCCN1CCC[C@@H]1C[NH+](C)C)C(N)=O ZINC000061652879 520033665 /nfs/dbraw/zinc/03/36/65/520033665.db2.gz BJRIXRSVBZGCBL-ZBFHGGJFSA-N 2 0 298.475 1.036 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000061273042 520163524 /nfs/dbraw/zinc/16/35/24/520163524.db2.gz LQKCYTSDCATOMJ-CYBMUJFWSA-N 2 0 267.417 1.461 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(CC2(C[NH3+])CCCC2)C1 ZINC000062970278 520872999 /nfs/dbraw/zinc/87/29/99/520872999.db2.gz VKXRYNKQHZCGKL-AWEZNQCLSA-N 2 0 253.434 1.922 10 0 CDAERP CC1CC[NH+](CCNC(=O)[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C)CC1 ZINC000055136656 521012657 /nfs/dbraw/zinc/01/26/57/521012657.db2.gz IWLQZVLGYIFCOY-RBSFLKMASA-N 2 0 281.444 1.598 10 0 CDAERP CCC[C@H](C)[N@H+](C)CCn1cc(C[NH2+]CC)nn1 ZINC000052480661 521035551 /nfs/dbraw/zinc/03/55/51/521035551.db2.gz OBYLWXPFEKQKFB-LBPRGKRZSA-N 2 0 253.394 1.508 10 0 CDAERP CC[N@H+](CCOC)CCOc1cccc(C[NH2+]C)c1 ZINC000052542709 521135846 /nfs/dbraw/zinc/13/58/46/521135846.db2.gz DAYNLWVNOIVODJ-UHFFFAOYSA-N 2 0 266.385 1.753 10 0 CDAERP C[C@@H](C[NH2+]C/C=C/Cl)NC(=O)CCC[NH+](C)C ZINC001716449850 1180216911 /nfs/dbraw/zinc/21/69/11/1180216911.db2.gz CASYBUSRIMDEQC-ZRQQLDRUSA-N 2 0 261.797 1.175 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@@H](CCC[NH3+])c2ccccc2)CC[NH2+]1 ZINC000417835451 534074034 /nfs/dbraw/zinc/07/40/34/534074034.db2.gz NZOTURBSYQJHOO-BPUTZDHNSA-N 2 0 289.423 1.971 10 0 CDAERP CC(C)[C@H]([NH2+]CCCN1CC[NH+](C(C)C)CC1)C(C)(C)O ZINC001170106459 1162089152 /nfs/dbraw/zinc/08/91/52/1162089152.db2.gz XTEHTHLNEGRZLD-INIZCTEOSA-N 2 0 299.503 1.788 10 0 CDAERP CC(C)(C)[NH2+]Cc1cn(CC[NH+]2CCCC2)nn1 ZINC000052377444 518765794 /nfs/dbraw/zinc/76/57/94/518765794.db2.gz ATAQJPPXJHVALV-UHFFFAOYSA-N 2 0 251.378 1.262 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)[C@H]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC000055131866 519623846 /nfs/dbraw/zinc/62/38/46/519623846.db2.gz PMWVKJKKOOVWDG-AGIUHOORSA-N 2 0 255.406 1.206 10 0 CDAERP CC(C)[NH+](CCNC(=O)[C@H]1CCC[C@H]([NH3+])[C@@H]1C)C(C)C ZINC000055125017 519647595 /nfs/dbraw/zinc/64/75/95/519647595.db2.gz URMOBEKOUKYNPS-ILXRZTDVSA-N 2 0 283.460 1.985 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C[C@@H](C)C[NH2+]C1CC1 ZINC000052503299 519716391 /nfs/dbraw/zinc/71/63/91/519716391.db2.gz YVZULXNXTDKWCJ-AWEZNQCLSA-N 2 0 255.450 1.894 10 0 CDAERP CC(C)C[NH+]1CCN(c2ncc([C@H](C)[NH3+])s2)CC1 ZINC000055076394 519728835 /nfs/dbraw/zinc/72/88/35/519728835.db2.gz VNRSIOPQABVPDN-NSHDSACASA-N 2 0 268.430 1.941 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)C[C@@H]2CCCO2)O1 ZINC000052541075 519745029 /nfs/dbraw/zinc/74/50/29/519745029.db2.gz PVTGIWKAHYCZDW-JYJNAYRXSA-N 2 0 284.444 1.890 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000338500996 519842701 /nfs/dbraw/zinc/84/27/01/519842701.db2.gz UJSWSQXEYZGQQQ-AWEZNQCLSA-N 2 0 298.475 1.748 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@@H]2[C@H](C)CCC[C@@H]2[NH3+])CC1 ZINC000055141543 519846267 /nfs/dbraw/zinc/84/62/67/519846267.db2.gz NGBGYSALRKPLHX-VHDGCEQUSA-N 2 0 281.444 1.741 10 0 CDAERP CCCC1CC[NH+](CCC[C@](C)([NH3+])C(N)=O)CC1 ZINC000050905765 519901083 /nfs/dbraw/zinc/90/10/83/519901083.db2.gz FXOUVOLUTQPNEH-AWEZNQCLSA-N 2 0 255.406 1.481 10 0 CDAERP CC[NH2+]CC1(C[N@@H+]2CCC[C@@H](CO)C2)CCOCC1 ZINC000052180483 519913058 /nfs/dbraw/zinc/91/30/58/519913058.db2.gz MVKMSSQHXPCWBP-CQSZACIVSA-N 2 0 270.417 1.097 10 0 CDAERP CC[NH2+]CCC(=O)N[C@@H](C)CCC[NH+](CC)CC ZINC000061287211 519916780 /nfs/dbraw/zinc/91/67/80/519916780.db2.gz GFMFTAZLPOONKB-ZDUSSCGKSA-N 2 0 257.422 1.613 10 0 CDAERP CC[NH2+]CCCCC[N@H+](CCCOC)CCOC ZINC000052543289 519919452 /nfs/dbraw/zinc/91/94/52/519919452.db2.gz QDCFXBZVNSAAOG-UHFFFAOYSA-N 2 0 260.422 1.751 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@H](CN2CCC([NH+](C)C)CC2)O1 ZINC000052477786 519926371 /nfs/dbraw/zinc/92/63/71/519926371.db2.gz CMLXSXDNCQOCMA-JKSUJKDBSA-N 2 0 283.460 1.560 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@H](C[N@@H+]2CCOC(C)(C)C2)O1 ZINC000052481886 519927945 /nfs/dbraw/zinc/92/79/45/519927945.db2.gz KGIYLCRCAMTLLB-UONOGXRCSA-N 2 0 270.417 1.644 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)C[C@@H]2CCCCO2)O1 ZINC000052507616 519951098 /nfs/dbraw/zinc/95/10/98/519951098.db2.gz PMDOWUBYCOGJFM-KKUMJFAQSA-N 2 0 270.417 1.644 10 0 CDAERP CC[NH2+]C[C@H](C)N1CCC([NH+]2CCCCC2)CC1 ZINC000052484161 519970396 /nfs/dbraw/zinc/97/03/96/519970396.db2.gz PYHKOJGMWFFPTO-AWEZNQCLSA-N 2 0 253.434 1.935 10 0 CDAERP CC[NH2+]C[C@H](C)c1nc(CC[NH+](CC)CC)no1 ZINC000061219850 519971296 /nfs/dbraw/zinc/97/12/96/519971296.db2.gz LDWTYLWZEJUYOL-NSHDSACASA-N 2 0 254.378 1.667 10 0 CDAERP CCCO[C@H]1CCC[N@H+](CC2(C[NH3+])CCOCC2)C1 ZINC000052198039 520285650 /nfs/dbraw/zinc/28/56/50/520285650.db2.gz LTWOPWATDFQJHL-AWEZNQCLSA-N 2 0 270.417 1.633 10 0 CDAERP CCO[C@H](C[NH3+])CC[N@H+](CCO)C1CCCCC1 ZINC000062741136 520515635 /nfs/dbraw/zinc/51/56/35/520515635.db2.gz HIABLZXRINDBOC-AWEZNQCLSA-N 2 0 258.406 1.367 10 0 CDAERP CC[NH+](CC)CCNC(=O)[C@@H]1CCC[C@@H](C[NH3+])C1 ZINC000055145550 520678329 /nfs/dbraw/zinc/67/83/29/520678329.db2.gz IETYQJRPKLEYDJ-CHWSQXEVSA-N 2 0 255.406 1.210 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN([C@@H](C[NH3+])C(F)(F)F)C1 ZINC000062977047 520849163 /nfs/dbraw/zinc/84/91/63/520849163.db2.gz AAATYKCVJKOXMD-ZJUUUORDSA-N 2 0 253.312 1.292 10 0 CDAERP CCC[C@H](C)[NH2+]C[C@H](C)N1CCN(CC[NH+](C)C)CC1 ZINC000061655339 521060676 /nfs/dbraw/zinc/06/06/76/521060676.db2.gz RNEOQJLUOFOTQD-HOTGVXAUSA-N 2 0 284.492 1.332 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@@H]1CCC[C@@H](CC[NH3+])C1 ZINC000055162772 521654334 /nfs/dbraw/zinc/65/43/34/521654334.db2.gz ONFFPNIYPZRMIV-LSDHHAIUSA-N 2 0 283.460 1.942 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@@H]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000055139792 521654706 /nfs/dbraw/zinc/65/47/06/521654706.db2.gz CSWOATWVQOJUIJ-BFHYXJOUSA-N 2 0 269.433 1.550 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1CC[NH2+]Cc1ccoc1 ZINC000061655045 521838166 /nfs/dbraw/zinc/83/81/66/521838166.db2.gz QGUDCPWWHPLDTR-AWEZNQCLSA-N 2 0 251.374 1.395 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1c1ccc(Cl)c(C[NH3+])n1 ZINC000061654325 521843269 /nfs/dbraw/zinc/84/32/69/521843269.db2.gz PGDOQXYRMSUNFQ-JTQLQIEISA-N 2 0 268.792 1.724 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1c1nc2c(cc1C(N)=[NH2+])CCC2 ZINC000061644641 521845106 /nfs/dbraw/zinc/84/51/06/521845106.db2.gz HCEBXANWQXNZQO-LBPRGKRZSA-N 2 0 287.411 1.385 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1[C@@H](C[NH3+])c1c(F)cccc1F ZINC000061643095 521871643 /nfs/dbraw/zinc/87/16/43/521871643.db2.gz NGDAKJLLQYIHKK-RISCZKNCSA-N 2 0 283.366 1.991 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1c1ncc(C[NH2+]C2CC2)s1 ZINC000061655455 521874843 /nfs/dbraw/zinc/87/48/43/521874843.db2.gz JJUDFOSWVYTBPP-GFCCVEGCSA-N 2 0 280.441 1.926 10 0 CDAERP C[NH2+]C1CCN(C(=O)[C@@](C)([NH3+])c2ccccc2)CC1 ZINC000195232430 521951354 /nfs/dbraw/zinc/95/13/54/521951354.db2.gz AIQQXMMXGFDEOQ-HNNXBMFYSA-N 2 0 261.369 1.071 10 0 CDAERP C[NH2+]C[C@@H](c1ccccc1)N1CCC[C@@H]1C[NH+](C)C ZINC000061654575 522038729 /nfs/dbraw/zinc/03/87/29/522038729.db2.gz FDOGEHUDYQWACV-CVEARBPZSA-N 2 0 261.413 1.973 10 0 CDAERP C[NH2+]Cc1cc(C[NH+]2CCC(C[NH+](C)C)CC2)on1 ZINC000052515330 522108727 /nfs/dbraw/zinc/10/87/27/522108727.db2.gz MIMAEEYSLXXEPJ-UHFFFAOYSA-N 3 0 266.389 1.168 10 0 CDAERP CC[C@H](CC[NH3+])[N@@H+]1CCCN(Cc2ncccn2)CC1 ZINC000054458644 522128288 /nfs/dbraw/zinc/12/82/88/522128288.db2.gz WDQOLQLTIUOIHG-CQSZACIVSA-N 2 0 277.416 1.112 10 0 CDAERP CC[C@H](CC[NH3+])N1CCC[N@H+](CCOC(C)C)CC1 ZINC000049259270 522129099 /nfs/dbraw/zinc/12/90/99/522129099.db2.gz XONZYPNMBPNHDH-OAHLLOKOSA-N 2 0 271.449 1.547 10 0 CDAERP C[NH2+]Cc1ccccc1N1CCN(CC[NH+](C)C)CC1 ZINC000061646105 522137169 /nfs/dbraw/zinc/13/71/69/522137169.db2.gz OIGGRYYFVGYDHA-UHFFFAOYSA-N 2 0 276.428 1.090 10 0 CDAERP CC[C@H]([NH3+])[C@@H](c1ccccn1)N1CCC[C@@H]1C[NH+](C)C ZINC000061642207 522339285 /nfs/dbraw/zinc/33/92/85/522339285.db2.gz XIBBMFDIEXWSLR-YCPHGPKFSA-N 2 0 276.428 1.886 10 0 CDAERP C[NH2+][C@@](C)(C[C@@H](C)[N@H+](C)CC1CC[NH+](C)CC1)C(=O)[O-] ZINC000068646443 522414126 /nfs/dbraw/zinc/41/41/26/522414126.db2.gz MWLXJNYCGXYEMM-DOMZBBRYSA-N 2 0 285.432 1.101 10 0 CDAERP C[NH2+][C@H]1CCCC[C@@H]1CN1CCC[C@@H]1C[NH+](C)C ZINC000061653655 522490412 /nfs/dbraw/zinc/49/04/12/522490412.db2.gz GIZHJMQSNAZVPE-KFWWJZLASA-N 2 0 253.434 1.791 10 0 CDAERP COC[C@H](C)[N@H+](C)C[C@@H]1CC[C@@H](C[NH2+]C(C)C)O1 ZINC000052511892 522593275 /nfs/dbraw/zinc/59/32/75/522593275.db2.gz DRBIOSGEFCOXMS-IHRRRGAJSA-N 2 0 258.406 1.499 10 0 CDAERP COCCC[N@H+](CCOC)[C@@H](C)CC[NH2+]C1CC1 ZINC000052543329 523259120 /nfs/dbraw/zinc/25/91/20/523259120.db2.gz BONJIJJQDSKILK-ZDUSSCGKSA-N 2 0 258.406 1.502 10 0 CDAERP COCCC[NH2+]C[C@@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000055075937 523374280 /nfs/dbraw/zinc/37/42/80/523374280.db2.gz JZCDNESXNYXRET-OAHLLOKOSA-N 2 0 271.449 1.275 10 0 CDAERP CC[C@@H]1CN(C(=O)CCCCCC[NH3+])CC[N@@H+]1C[C@H](C)O ZINC000246251195 523381531 /nfs/dbraw/zinc/38/15/31/523381531.db2.gz JXLDITYEEPYBRI-LSDHHAIUSA-N 2 0 299.459 1.199 10 0 CDAERP CC[C@H](C)[NH+]1CCN(CC[NH2+]C[C@H]2CCOC2)CC1 ZINC000055075459 523953927 /nfs/dbraw/zinc/95/39/27/523953927.db2.gz DQAGOBXHNLCBHO-LSDHHAIUSA-N 2 0 269.433 1.029 10 0 CDAERP CC[C@H](C)[NH+]1CCN(CC[C@H]2CCCC[NH2+]2)CC1 ZINC000055066819 523953937 /nfs/dbraw/zinc/95/39/37/523953937.db2.gz XREVBAACGVPCJI-LSDHHAIUSA-N 2 0 253.434 1.935 10 0 CDAERP CC[C@H](C)[NH+]1CCN([C@H](C[NH3+])CCSC)CC1 ZINC000055064336 523959080 /nfs/dbraw/zinc/95/90/80/523959080.db2.gz ARZVQGZDJSPEIH-STQMWFEESA-N 2 0 259.463 1.483 10 0 CDAERP CC[C@H](C)[NH+]1CCN([C@H](c2ccncc2)[C@@H](C)[NH3+])CC1 ZINC000055064118 523959188 /nfs/dbraw/zinc/95/91/88/523959188.db2.gz KBQFEECKBWMDGF-LZWOXQAQSA-N 2 0 276.428 1.886 10 0 CDAERP C[N@H+]1[C@@H]2CC[C@H]1CC(N1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000051356903 524030710 /nfs/dbraw/zinc/03/07/10/524030710.db2.gz ZFFYSBHNDMMJEG-BLNMRFBMSA-N 2 0 263.429 1.828 10 0 CDAERP C[C@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000061656205 524144435 /nfs/dbraw/zinc/14/44/35/524144435.db2.gz RBKATYHKPXQZBN-REWJHTLYSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000055138531 524145289 /nfs/dbraw/zinc/14/52/89/524145289.db2.gz OJZUFVQDVAPWKJ-IGQOVBAYSA-N 2 0 267.417 1.208 10 0 CDAERP C[C@@H]1CCC[N@H+](CCn2cc(C[NH2+]C(C)(C)C)nn2)C1 ZINC000052381422 524228862 /nfs/dbraw/zinc/22/88/62/524228862.db2.gz CYOOSAGQMITCQJ-CYBMUJFWSA-N 2 0 279.432 1.898 10 0 CDAERP C[C@@H]1CCC[C@@](C[NH3+])(N(C)CC[NH+]2CCCC2)C1 ZINC000063051285 524337606 /nfs/dbraw/zinc/33/76/06/524337606.db2.gz MQAKUINVVVFUNG-HUUCEWRRSA-N 2 0 253.434 1.922 10 0 CDAERP C[C@H]1CC[C@H](C(=O)NC[C@@H]2CCC[N@H+](C)C2)C[C@@H]1[NH3+] ZINC000055138480 524383142 /nfs/dbraw/zinc/38/31/42/524383142.db2.gz RYXGBURVWSXNCQ-XUXIUFHCSA-N 2 0 267.417 1.208 10 0 CDAERP C[C@@H](C[NH+]1CCCC1)NC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000049184768 524590789 /nfs/dbraw/zinc/59/07/89/524590789.db2.gz LAHARNYPMXBCRK-DZGCQCFKSA-N 2 0 275.396 1.157 10 0 CDAERP Cc1ccc(F)c(C(=O)N2CC[NH+](CCCC[NH3+])CC2)c1 ZINC000052980518 524786558 /nfs/dbraw/zinc/78/65/58/524786558.db2.gz QCZVRVPBSLKELB-UHFFFAOYSA-N 2 0 293.386 1.631 10 0 CDAERP C[C@H]1c2ccsc2CC[N@H+]1CC1(O)CC[NH2+]CC1 ZINC000051016287 525132633 /nfs/dbraw/zinc/13/26/33/525132633.db2.gz CSHXAMGFJNTPEY-NSHDSACASA-N 2 0 266.410 1.782 10 0 CDAERP C[C@]1(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC[NH2+]C1 ZINC000261990660 525244186 /nfs/dbraw/zinc/24/41/86/525244186.db2.gz KGSMTNHCGGRVSN-ZBFHGGJFSA-N 2 0 279.428 1.320 10 0 CDAERP c1ncn(C[C@H]2CCC[N@@H+](CCC[NH+]3CCCC3)C2)n1 ZINC000163465007 526615528 /nfs/dbraw/zinc/61/55/28/526615528.db2.gz PYLYEVIKWWLDDV-HNNXBMFYSA-N 2 0 277.416 1.476 10 0 CDAERP O=C(C[N@@H+]1CCCSCC1)NC1CC[NH+](C2CC2)CC1 ZINC000340787044 526749315 /nfs/dbraw/zinc/74/93/15/526749315.db2.gz ZTKLTVYVPNNONY-UHFFFAOYSA-N 2 0 297.468 1.168 10 0 CDAERP Cc1oc(CN2CCC[C@@H]2C[NH+](C)C)cc1C[NH3+] ZINC000061654401 526770616 /nfs/dbraw/zinc/77/06/16/526770616.db2.gz GEJYOMWGCMSSHN-CYBMUJFWSA-N 2 0 251.374 1.573 10 0 CDAERP OC1(C[N@H+](Cc2ccsc2)C2CC2)CC[NH2+]CC1 ZINC000051016304 527506272 /nfs/dbraw/zinc/50/62/72/527506272.db2.gz JRUIZXNGTIRDDH-UHFFFAOYSA-N 2 0 266.410 1.827 10 0 CDAERP COCCC[N@H+](C)CCN[C@H](C)c1c[nH+]ccc1N ZINC000422775491 536512280 /nfs/dbraw/zinc/51/22/80/536512280.db2.gz AMHCZOBOWWMPGK-GFCCVEGCSA-N 2 0 266.389 1.113 10 0 CDAERP CCCC[C@@H](C[NH3+])NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000417933130 528806876 /nfs/dbraw/zinc/80/68/76/528806876.db2.gz NRCWGDRFEJKTQG-NRXISQOPSA-N 2 0 298.475 1.924 10 0 CDAERP CC(C)C[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)[NH+](C)C ZINC000251350083 535312378 /nfs/dbraw/zinc/31/23/78/535312378.db2.gz BFIJPZHACZSZIM-WCVJEAGWSA-N 2 0 295.471 2.000 10 0 CDAERP C[NH2+][C@H]1CCCN(C(=O)NC[C@H]([NH3+])c2ccccc2)C1 ZINC000418404547 536409325 /nfs/dbraw/zinc/40/93/25/536409325.db2.gz ABYQGWGJYXKYPF-KBPBESRZSA-N 2 0 276.384 1.080 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCN1CCC[C@H](C)C1 ZINC000422860951 536595273 /nfs/dbraw/zinc/59/52/73/536595273.db2.gz NHVYVOBXOBPVBH-UONOGXRCSA-N 2 0 257.422 1.062 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCc1ccccc1O ZINC000422972015 536595352 /nfs/dbraw/zinc/59/53/52/536595352.db2.gz KFTQLYPCLJBGSJ-CYBMUJFWSA-N 2 0 252.358 1.278 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CC3(CC3)C(=O)O2)[C@H](C)C1 ZINC000763725395 576752311 /nfs/dbraw/zinc/75/23/11/576752311.db2.gz BTBXGROGPBMTIL-RDBSUJKOSA-N 2 0 280.412 1.744 10 0 CDAERP CC(C)(C)OCCC[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000757388058 577039406 /nfs/dbraw/zinc/03/94/06/577039406.db2.gz MPTHPTXTJNZSOP-UHFFFAOYSA-N 2 0 297.487 1.905 10 0 CDAERP CCCC[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001689803155 1175263456 /nfs/dbraw/zinc/26/34/56/1175263456.db2.gz WCJXONJCTKWNCJ-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP C(C[NH2+][C@@H]1CCCN2CCCC[C@@H]12)CN1CCOCC1 ZINC000924535897 617409231 /nfs/dbraw/zinc/40/92/31/617409231.db2.gz ZOAGJWYPEVZFIC-CVEARBPZSA-N 2 0 281.444 1.315 10 0 CDAERP CC(C)[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)N1CCOCC1 ZINC000925516865 617426712 /nfs/dbraw/zinc/42/67/12/617426712.db2.gz JQIHBGKKWKBYLA-OAGGEKHMSA-N 2 0 297.487 1.839 10 0 CDAERP CC(C)[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)N1CCOCC1 ZINC000925516877 617426899 /nfs/dbraw/zinc/42/68/99/617426899.db2.gz JQIHBGKKWKBYLA-XHSDSOJGSA-N 2 0 297.487 1.839 10 0 CDAERP CC1(C)[C@H]([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)[C@@H]2CCO[C@H]21 ZINC000925522376 617435677 /nfs/dbraw/zinc/43/56/77/617435677.db2.gz NAJZNBANRVMPSE-KIJLLGNVSA-N 2 0 250.386 1.659 10 0 CDAERP C[C@@H]1[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CO[C@H]1C ZINC000925554431 617503718 /nfs/dbraw/zinc/50/37/18/617503718.db2.gz ACAWXCSEJKEGKR-AMSCCUFHSA-N 2 0 282.428 1.377 10 0 CDAERP CCN(CC)C(=O)CCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925598728 617543338 /nfs/dbraw/zinc/54/33/38/617543338.db2.gz UEBMHPNHTDQLJY-ZDUSSCGKSA-N 2 0 267.417 1.509 10 0 CDAERP O[C@H](C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)C1CCOCC1 ZINC000925619413 617565425 /nfs/dbraw/zinc/56/54/25/617565425.db2.gz NGCBKCOWTPXHFI-YESZJQIVSA-N 2 0 296.455 1.532 10 0 CDAERP Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925630207 617576901 /nfs/dbraw/zinc/57/69/01/617576901.db2.gz OJGDDVWLSPTNSQ-HUUCEWRRSA-N 2 0 276.428 1.829 10 0 CDAERP CCOCCOCC[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000931682998 617641862 /nfs/dbraw/zinc/64/18/62/617641862.db2.gz CVPUYOLUIRNQEC-OAHLLOKOSA-N 2 0 293.411 1.645 10 0 CDAERP C[C@@H]1C[C@H]([N@H+](C)C[C@H]2COC(C)(C)O2)CCN1C ZINC000851798152 617650687 /nfs/dbraw/zinc/65/06/87/617650687.db2.gz ZEJBGJHZKLTSGO-UPJWGTAASA-N 2 0 256.390 1.552 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1CCC(CS(C)(=O)=O)CC1 ZINC000925782919 617700383 /nfs/dbraw/zinc/70/03/83/617700383.db2.gz BGCGACJGUUBJKI-ZIHBUVQPSA-N 2 0 288.457 1.035 10 0 CDAERP C[C@@H]([NH2+]CC1CCC(S(C)(=O)=O)CC1)[C@H]1CCC[NH2+]1 ZINC000925798598 617727915 /nfs/dbraw/zinc/72/79/15/617727915.db2.gz LXZJJXKMQOHBIA-BLYZHGLHSA-N 2 0 288.457 1.320 10 0 CDAERP CC1(C)C[C@@H]([NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)C[C@@H]([NH3+])C1 ZINC000925834111 617861467 /nfs/dbraw/zinc/86/14/67/617861467.db2.gz WCOSVWSOMDOCHQ-RGDJUOJXSA-N 2 0 268.401 1.286 10 0 CDAERP COC(=O)C1=CC[C@H]([NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925722381 617863098 /nfs/dbraw/zinc/86/30/98/617863098.db2.gz HNBZKBGBZUJGAB-AGIUHOORSA-N 2 0 266.385 1.744 10 0 CDAERP C[C@H](Cc1cnccn1)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925839152 617870271 /nfs/dbraw/zinc/87/02/71/617870271.db2.gz GOVKFCJXRBXKJD-BPLDGKMQSA-N 2 0 260.385 1.529 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCCCCCCC[NH+](C)C ZINC000841740058 620761102 /nfs/dbraw/zinc/76/11/02/620761102.db2.gz LFVGOOWMVRRJJE-HUUCEWRRSA-N 2 0 298.475 1.796 10 0 CDAERP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCc1cccc2c1OCCO2 ZINC000925873860 617937931 /nfs/dbraw/zinc/93/79/31/617937931.db2.gz DWMAVMDQAIYLMA-VXGBXAGGSA-N 2 0 264.369 1.716 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CC[C@H]2CCCS2(=O)=O)C1 ZINC000925762026 618123528 /nfs/dbraw/zinc/12/35/28/618123528.db2.gz GEZBZTQIVQVLDM-JHJVBQTASA-N 2 0 288.457 1.449 10 0 CDAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CO[C@H](C)[C@@H]2C)CC1 ZINC000924950252 618373143 /nfs/dbraw/zinc/37/31/43/618373143.db2.gz IOYBXUBPOPWBSK-QKPAOTATSA-N 2 0 283.460 1.273 10 0 CDAERP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000924990480 618553335 /nfs/dbraw/zinc/55/33/35/618553335.db2.gz GUPLPZDFAISSNF-UQPPLGOBSA-N 2 0 295.471 1.560 10 0 CDAERP COc1c[nH+]ccc1N1CCN(Cc2ocnc2C)CC1 ZINC000894636604 618999851 /nfs/dbraw/zinc/99/98/51/618999851.db2.gz NRNDBQRHPCFAQQ-UHFFFAOYSA-N 2 0 288.351 1.709 10 0 CDAERP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccns1 ZINC000925118933 619378449 /nfs/dbraw/zinc/37/84/49/619378449.db2.gz VNPIQOBXVRKKJP-SNVBAGLBSA-N 2 0 255.387 1.250 10 0 CDAERP CO[C@]1(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)CCOC1 ZINC000895557464 619726476 /nfs/dbraw/zinc/72/64/76/619726476.db2.gz QYEBDFWUTVMFCL-ZBFHGGJFSA-N 2 0 291.395 1.398 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NCCC[NH2+]C2CCCCC2)C1 ZINC000896446323 620099833 /nfs/dbraw/zinc/09/98/33/620099833.db2.gz YYTKBRBZQBDLKX-AWEZNQCLSA-N 2 0 281.444 1.757 10 0 CDAERP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C1 ZINC000902796557 625418072 /nfs/dbraw/zinc/41/80/72/625418072.db2.gz PCFYIKBDTFYSPM-FOLNQXHWSA-N 2 0 264.413 1.731 10 0 CDAERP Cc1cc(C)cc(-n2ncc(C[NH2+]CC[C@@H]3CC[NH2+]C3)n2)c1 ZINC000841037082 621258689 /nfs/dbraw/zinc/25/86/89/621258689.db2.gz SESGVQQNDCYFPL-HNNXBMFYSA-N 2 0 299.422 1.973 10 0 CDAERP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2ccnnc2)CC1 ZINC000924670300 621647554 /nfs/dbraw/zinc/64/75/54/621647554.db2.gz MBOSMUOMXHSZRG-UONOGXRCSA-N 2 0 277.416 1.153 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CO[C@H](C)[C@@H]2C)CC1 ZINC000924670918 621648127 /nfs/dbraw/zinc/64/81/27/621648127.db2.gz ODBLRAUVRDBDSD-LXTVHRRPSA-N 2 0 269.433 1.025 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])N[C@H](C)C2CC2)C1 ZINC000899265294 622128712 /nfs/dbraw/zinc/12/87/12/622128712.db2.gz XFDYSNKJZDVUIM-NEPJUHHUSA-N 2 0 252.406 1.631 10 0 CDAERP O=C(NCCC[NH+]1CCCCC1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000899991595 622607918 /nfs/dbraw/zinc/60/79/18/622607918.db2.gz SNQNEQMWVUXFKZ-JKSUJKDBSA-N 2 0 293.455 1.996 10 0 CDAERP C(C1CC1)[NH+]1CCC([NH2+][C@H]2CCO[C@@]23CCOC3)CC1 ZINC000903074659 625837579 /nfs/dbraw/zinc/83/75/79/625837579.db2.gz OUCYPWVDHZJTML-JKSUJKDBSA-N 2 0 280.412 1.398 10 0 CDAERP CO[C@@]1(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CCSC1 ZINC000903317363 625970619 /nfs/dbraw/zinc/97/06/19/625970619.db2.gz SWIZSJJJEQMVTE-TZMCWYRMSA-N 2 0 272.458 1.971 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000903435764 625991827 /nfs/dbraw/zinc/99/18/27/625991827.db2.gz YZQROCGHSBKIMC-KFWWJZLASA-N 2 0 295.471 1.716 10 0 CDAERP CC[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@@H](CC)CN1C(C)=O ZINC000903439961 625992579 /nfs/dbraw/zinc/99/25/79/625992579.db2.gz RSYHRPUKTMSGCT-FXUDXRNXSA-N 2 0 281.444 1.835 10 0 CDAERP [NH3+]CC1(O)CC[NH+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC1 ZINC000903459976 625995272 /nfs/dbraw/zinc/99/52/72/625995272.db2.gz SQGXZAKNGPSJBT-ZIAGYGMSSA-N 2 0 296.361 1.821 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000903443826 625997919 /nfs/dbraw/zinc/99/79/19/625997919.db2.gz JFKCRRFTQTWMTI-MCIONIFRSA-N 2 0 289.427 1.259 10 0 CDAERP [NH3+][C@@H]1CC[C@H](CN2CCCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000903453721 626000995 /nfs/dbraw/zinc/00/09/95/626000995.db2.gz JUAODMMTSFOMMV-GBJTYRQASA-N 2 0 251.418 1.720 10 0 CDAERP C(C[NH2+][C@H]1CC[NH2+]C12CCC2)COC[C@H]1CCCO1 ZINC000903470133 626003686 /nfs/dbraw/zinc/00/36/86/626003686.db2.gz GLOJSQISRQJVPS-KGLIPLIRSA-N 2 0 268.401 1.446 10 0 CDAERP Cc1nc([C@@H]2CC[N@H+](CCCCCC[NH3+])C2)no1 ZINC000903491001 626010504 /nfs/dbraw/zinc/01/05/04/626010504.db2.gz QMFHKAGDKSOAKD-GFCCVEGCSA-N 2 0 252.362 1.686 10 0 CDAERP CC(C)N(C(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1)C(C)C ZINC000903496322 626012164 /nfs/dbraw/zinc/01/21/64/626012164.db2.gz KEWUYTCYTQMLJP-QLFBSQMISA-N 2 0 283.460 1.937 10 0 CDAERP C[C@@]1([C@H]2CCC[N@H+](CCC3CC[NH2+]CC3)C2)COC(=O)N1 ZINC000903561928 626019791 /nfs/dbraw/zinc/01/97/91/626019791.db2.gz RIKSJVKOOYIDRI-HOCLYGCPSA-N 2 0 295.427 1.587 10 0 CDAERP C[C@]1([C@H]2CCC[N@H+](CCC3CC[NH2+]CC3)C2)COC(=O)N1 ZINC000903561927 626019889 /nfs/dbraw/zinc/01/98/89/626019889.db2.gz RIKSJVKOOYIDRI-GOEBONIOSA-N 2 0 295.427 1.587 10 0 CDAERP C([C@@H]1CCCC[NH2+]C1)N1CC[NH2+]CC12CCCCC2 ZINC000903741197 626079571 /nfs/dbraw/zinc/07/95/71/626079571.db2.gz OHPRVFBTHVPWOB-OAHLLOKOSA-N 2 0 265.445 1.984 10 0 CDAERP CC(C)[C@@H]([NH3+])CCN(C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903873303 626127370 /nfs/dbraw/zinc/12/73/70/626127370.db2.gz GQGUTPHVPDFXIJ-ZFWWWQNUSA-N 2 0 294.447 1.008 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[NH+]2CCC(C)CC2)cnn1C ZINC000903872575 626127400 /nfs/dbraw/zinc/12/74/00/626127400.db2.gz HPOVPACOEHYJHH-CQSZACIVSA-N 2 0 264.417 1.578 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[NH+](CC2CC2)CC2CC2)cnn1C ZINC000903897005 626136478 /nfs/dbraw/zinc/13/64/78/626136478.db2.gz XQQVYSCKWLITDK-INIZCTEOSA-N 2 0 290.455 1.968 10 0 CDAERP Cc1c(C[C@H](C[NH3+])CNCC2([NH3+])CCCCC2)cnn1C ZINC000903915377 626145823 /nfs/dbraw/zinc/14/58/23/626145823.db2.gz BMXKKNMPKUYJTN-CQSZACIVSA-N 2 0 293.459 1.097 10 0 CDAERP CC(C)N1CC[C@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1=O ZINC000903923662 626147951 /nfs/dbraw/zinc/14/79/51/626147951.db2.gz ZSPRAFZMKMDDDR-GSPSYOTPSA-N 2 0 265.401 1.116 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[NH2+][C@@H]2CCCOCC2)cnn1C ZINC000903924968 626148827 /nfs/dbraw/zinc/14/88/27/626148827.db2.gz AMNUOZMGTJMNQQ-UKRRQHHQSA-N 2 0 280.416 1.005 10 0 CDAERP CO[C@@H]1CC[N@H+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)[C@@H](C)C1 ZINC000903915863 626156126 /nfs/dbraw/zinc/15/61/26/626156126.db2.gz COQIEWRDGDJYEA-JGGQBBKZSA-N 2 0 294.443 1.345 10 0 CDAERP COC[C@H]([NH2+][C@H]1CCC[NH2+]CC1)[C@@H]1CCCOC1 ZINC000903959429 626159151 /nfs/dbraw/zinc/15/91/51/626159151.db2.gz HWVHNTXFDILKJQ-RDBSUJKOSA-N 2 0 256.390 1.160 10 0 CDAERP NC(=O)c1ccc(CNC[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000903955067 626166384 /nfs/dbraw/zinc/16/63/84/626166384.db2.gz JWZCKUTZSFQCCV-GFCCVEGCSA-N 2 0 283.322 1.120 10 0 CDAERP C[C@H](C[C@@H]1CCC[NH2+]1)NC[C@H]1C[NH2+]CCC1(F)F ZINC000903955736 626167083 /nfs/dbraw/zinc/16/70/83/626167083.db2.gz AVJPMNXBMNZQLE-UTUOFQBUSA-N 2 0 261.360 1.351 10 0 CDAERP FC1(F)CC[NH2+]C[C@H]1C[NH2+]C[C@@H]1CCSC1 ZINC000903956716 626167313 /nfs/dbraw/zinc/16/73/13/626167313.db2.gz NFAFYUJYNRDFAR-UWVGGRQHSA-N 2 0 250.358 1.574 10 0 CDAERP COC(=O)C[C@@H]1C[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C[C@H]1C ZINC000903986552 626174506 /nfs/dbraw/zinc/17/45/06/626174506.db2.gz LZIQGWSTUZWIKA-ZOBORPQBSA-N 2 0 268.401 1.506 10 0 CDAERP CC(C)(/C=C/Cl)[NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000903987973 626174739 /nfs/dbraw/zinc/17/47/39/626174739.db2.gz LLTCRYQVCSNIRQ-QRGHLMKCSA-N 2 0 273.808 1.304 10 0 CDAERP C[C@@H](Cc1nc(CC2CC[NH2+]CC2)no1)[C@H]1CCC[NH2+]C1 ZINC000905317028 626745729 /nfs/dbraw/zinc/74/57/29/626745729.db2.gz DUKXNMUJATXTHY-JSGCOSHPSA-N 2 0 292.427 1.790 10 0 CDAERP CN(C)c1cc(N2CCC[C@H]3C[NH2+]CC[C@@H]32)ncn1 ZINC000906093178 627115344 /nfs/dbraw/zinc/11/53/44/627115344.db2.gz CUFXCMRKZOVVDF-RYUDHWBXSA-N 2 0 261.373 1.121 10 0 CDAERP CN(C)c1cc[nH+]c(NC(=O)C23CC[NH+](CC2)C3)c1 ZINC000907325969 627611331 /nfs/dbraw/zinc/61/13/31/627611331.db2.gz WECHBKZCFNDNHV-UHFFFAOYSA-N 2 0 260.341 1.182 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)C[NH+](C)C ZINC000908349085 628149147 /nfs/dbraw/zinc/14/91/47/628149147.db2.gz WCVRPMYNPRJVKI-MGPQQGTHSA-N 2 0 267.417 1.317 10 0 CDAERP CCCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](C)C1 ZINC000911512573 629312363 /nfs/dbraw/zinc/31/23/63/629312363.db2.gz RTZMSZXICUAMIG-ZDUSSCGKSA-N 2 0 265.401 1.025 10 0 CDAERP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@]1(C)C[NH+]2CCC1CC2 ZINC000912375641 629973835 /nfs/dbraw/zinc/97/38/35/629973835.db2.gz IVIVLUAGYNECNT-BLLLJJGKSA-N 2 0 281.444 1.754 10 0 CDAERP CC[C@H](C(=O)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1)[NH+](C)C ZINC000913269260 630425405 /nfs/dbraw/zinc/42/54/05/630425405.db2.gz ATDSRRJNLRIGFL-YUELXQCFSA-N 2 0 267.417 1.127 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[N@@H+]1C ZINC000913838301 630826023 /nfs/dbraw/zinc/82/60/23/630826023.db2.gz HVFXPYUEBDILDB-YPMHNXCESA-N 2 0 296.459 1.687 10 0 CDAERP C[C@@H]1[C@H](NC(=O)NCCC[NH+]2CCC(C)CC2)CC[N@@H+]1C ZINC000913936991 630903951 /nfs/dbraw/zinc/90/39/51/630903951.db2.gz FRIVQYNCXJQKBO-HUUCEWRRSA-N 2 0 296.459 1.500 10 0 CDAERP C[C@@H](C1CC1)[NH+]1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000930071390 632573973 /nfs/dbraw/zinc/57/39/73/632573973.db2.gz GQLDXQJVTCUICH-SMDDNHRTSA-N 2 0 265.401 1.199 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)N1CC[NH+](C)CC1 ZINC000921689623 633183614 /nfs/dbraw/zinc/18/36/14/633183614.db2.gz JGVGCAKNPVDUHD-QBPKDAKJSA-N 2 0 295.471 1.417 10 0 CDAERP Cc1cnc(Cl)c(C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)c1 ZINC000921690957 633187549 /nfs/dbraw/zinc/18/75/49/633187549.db2.gz YUFBWZFMWFNRML-CYBMUJFWSA-N 2 0 296.846 1.769 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccnn1C1CCC1 ZINC000921705348 633216905 /nfs/dbraw/zinc/21/69/05/633216905.db2.gz TVHCQCPKCAELIX-CQSZACIVSA-N 2 0 291.443 1.334 10 0 CDAERP CCOCC[N@H+](C)CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001690988681 1158515776 /nfs/dbraw/zinc/51/57/76/1158515776.db2.gz NWVJTYDAPCKWJZ-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP O=C(NC[C@H]1C[C@H]([NH2+]CCCF)C1)C12CCC[NH+]1CCC2 ZINC001691153061 1158935566 /nfs/dbraw/zinc/93/55/66/1158935566.db2.gz JRYWDCYECMUSSV-HDJSIYSDSA-N 2 0 297.418 1.459 10 0 CDAERP CN(C[C@H]1CC[N@@H+]1CCCCCF)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001691413585 1159059092 /nfs/dbraw/zinc/05/90/92/1159059092.db2.gz RXRINMQZLQJZCP-HUUCEWRRSA-N 2 0 299.434 1.611 10 0 CDAERP Cc1ccccc1[C@@H](O)C[NH2+]CCOCC[NH+](C)C ZINC000819210281 1164199262 /nfs/dbraw/zinc/19/92/62/1164199262.db2.gz BGKURCRAEZNFBB-HNNXBMFYSA-N 2 0 266.385 1.196 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](CC(=O)N2CCCC2)C1 ZINC000866708522 1164813832 /nfs/dbraw/zinc/81/38/32/1164813832.db2.gz QXOOBYWFRWNDGZ-OAHLLOKOSA-N 2 0 267.417 1.306 10 0 CDAERP CC1(C)[C@@H]([NH3+])c2ccccc2N1C(=O)[C@]1(C)CC[NH2+]C1 ZINC000867987195 1164894862 /nfs/dbraw/zinc/89/48/62/1164894862.db2.gz ISEUVBKUGVHYAH-XJKSGUPXSA-N 2 0 273.380 1.811 10 0 CDAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872288017 1165411298 /nfs/dbraw/zinc/41/12/98/1165411298.db2.gz RVKCIWXEKDWDHQ-QNWHQSFQSA-N 2 0 253.390 1.008 10 0 CDAERP CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001672915454 1165919000 /nfs/dbraw/zinc/91/90/00/1165919000.db2.gz HRPLKBIYRCKZJN-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[NH2+]CC(=O)N(CC[NH3+])CCc1ccccc1 ZINC001645882878 1167551681 /nfs/dbraw/zinc/55/16/81/1167551681.db2.gz JNHLCPNASIJKLI-UHFFFAOYSA-N 2 0 277.412 1.262 10 0 CDAERP CCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC001645954865 1167587007 /nfs/dbraw/zinc/58/70/07/1167587007.db2.gz COTMVMJMHJTQKA-JHJVBQTASA-N 2 0 271.380 1.149 10 0 CDAERP CC[N@@H+]1CC[C@@H]1C(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC001646541485 1167915641 /nfs/dbraw/zinc/91/56/41/1167915641.db2.gz RPOLRELEICAJPZ-CQSZACIVSA-N 2 0 265.401 1.214 10 0 CDAERP CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)CC[NH+](C)C)C1 ZINC001542407933 1167934659 /nfs/dbraw/zinc/93/46/59/1167934659.db2.gz WOPKJCBUXCRCQG-ZIAGYGMSSA-N 2 0 269.433 1.422 10 0 CDAERP COCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001566536109 1168323049 /nfs/dbraw/zinc/32/30/49/1168323049.db2.gz ZYLCPGVHJTXAKA-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP O=C(N1CCCC[C@@H]1C[NH2+]CCF)C12CCC[NH+]1CCC2 ZINC001566942778 1168475380 /nfs/dbraw/zinc/47/53/80/1168475380.db2.gz SYBRZNVYENBFLU-CQSZACIVSA-N 2 0 297.418 1.555 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC1CC1 ZINC001567021298 1168514952 /nfs/dbraw/zinc/51/49/52/1168514952.db2.gz JVQBFGSFFOQPPV-OCCSQVGLSA-N 2 0 267.417 1.365 10 0 CDAERP CCC[NH2+]C[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001567131057 1168588083 /nfs/dbraw/zinc/58/80/83/1168588083.db2.gz MGHRIJGWSHWODA-OAHLLOKOSA-N 2 0 293.455 1.711 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CC2CC2)C1 ZINC001567155647 1168600003 /nfs/dbraw/zinc/60/00/03/1168600003.db2.gz UDVJYHNYBROVIT-AWEZNQCLSA-N 2 0 267.417 1.175 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]CCC(F)(F)F ZINC001568312806 1169240065 /nfs/dbraw/zinc/24/00/65/1169240065.db2.gz QXCYQOAGNVRUSY-NSHDSACASA-N 2 0 297.365 1.717 10 0 CDAERP CCC[NH2+]C/C=C\CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001568968720 1169567956 /nfs/dbraw/zinc/56/79/56/1169567956.db2.gz AGEFIQSRWKPJRD-HLMASZERSA-N 2 0 267.417 1.531 10 0 CDAERP COCCC[NH2+][C@@H](C)CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001571410557 1170416463 /nfs/dbraw/zinc/41/64/63/1170416463.db2.gz MIAOACPKQCSSOH-HNNXBMFYSA-N 2 0 299.459 1.191 10 0 CDAERP CCCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001571418226 1170420807 /nfs/dbraw/zinc/42/08/07/1170420807.db2.gz SMCYCUZRRMMHLI-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP C[N@@H+]1C[C@]23C[NH+](C[C@@H](O)C4CC4)C[C@@]2(C1)CCCC3 ZINC001660700839 1172260175 /nfs/dbraw/zinc/26/01/75/1172260175.db2.gz NZCIBZAINPGFFV-OAGGEKHMSA-N 2 0 264.413 1.565 10 0 CDAERP COCCC[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001662349519 1172534324 /nfs/dbraw/zinc/53/43/24/1172534324.db2.gz DBNKNHPLTJEAPK-HUUCEWRRSA-N 2 0 299.459 1.380 10 0 CDAERP C[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)C[NH2+]CCF ZINC001666673026 1173169676 /nfs/dbraw/zinc/16/96/76/1173169676.db2.gz MTXYACKHZVVLFT-CYBMUJFWSA-N 2 0 295.402 1.673 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1cnc(C)o1)[NH+](C)C ZINC001668279057 1173391085 /nfs/dbraw/zinc/39/10/85/1173391085.db2.gz OFYHWRKRVBPWRX-BXUZGUMPSA-N 2 0 296.415 1.308 10 0 CDAERP CC(C)[C@@H](C(=O)NC/C=C/C[NH2+]CCF)[NH+]1CCCC1 ZINC001669206798 1173516428 /nfs/dbraw/zinc/51/64/28/1173516428.db2.gz HRAVHOOQZXDQNR-XGACYXMMSA-N 2 0 285.407 1.338 10 0 CDAERP C[NH+](C)CCCCC(=O)NC1(C)CC[NH+](CCF)CC1 ZINC001671431974 1173682896 /nfs/dbraw/zinc/68/28/96/1173682896.db2.gz ODLNJIDDJWFCOS-UHFFFAOYSA-N 2 0 287.423 1.659 10 0 CDAERP CC(C)CC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001673898396 1173895685 /nfs/dbraw/zinc/89/56/85/1173895685.db2.gz POYXCGHTHTUDGR-UONOGXRCSA-N 2 0 269.433 1.421 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C[NH2+]CCCF)C2)C1 ZINC001690422822 1175467776 /nfs/dbraw/zinc/46/77/76/1175467776.db2.gz BHGZDBJOOHRGPX-CABCVRRESA-N 2 0 299.434 1.516 10 0 CDAERP CC(C)OCCC[NH2+][C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001690618296 1175525260 /nfs/dbraw/zinc/52/52/60/1175525260.db2.gz XFBAFPJNEICDMV-CQSZACIVSA-N 2 0 299.459 1.238 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@](C)(C[NH2+]C/C=C/Cl)C1CC1 ZINC001698648922 1175887291 /nfs/dbraw/zinc/88/72/91/1175887291.db2.gz LRJNJFCHAYIYED-RAAGAXANSA-N 2 0 299.846 1.708 10 0 CDAERP CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001698826668 1175952154 /nfs/dbraw/zinc/95/21/54/1175952154.db2.gz GQHLMNNVSPSJBX-HZSPNIEDSA-N 2 0 269.433 1.563 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001699372595 1176327497 /nfs/dbraw/zinc/32/74/97/1176327497.db2.gz CAAPDTMLGSAALE-QWHCGFSZSA-N 2 0 269.433 1.611 10 0 CDAERP CN(CCC[NH2+]CC1CC1)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001699545641 1176468700 /nfs/dbraw/zinc/46/87/00/1176468700.db2.gz XZAINWOZNUZCCR-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP O=C(N[C@H](C[NH2+]CCCF)C1CC1)C12CCC[NH+]1CCC2 ZINC001699581166 1176483423 /nfs/dbraw/zinc/48/34/23/1176483423.db2.gz VXLHRNIKVRGEBX-CQSZACIVSA-N 2 0 297.418 1.459 10 0 CDAERP CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001699633328 1176530581 /nfs/dbraw/zinc/53/05/81/1176530581.db2.gz JTPIUAMVHKPRIF-KBPBESRZSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)CC[NH2+]C1(CNC(=O)CC[NH+](C)C)CC1 ZINC001699664025 1176556933 /nfs/dbraw/zinc/55/69/33/1176556933.db2.gz UENWQPWQYQGJQI-UHFFFAOYSA-N 2 0 255.406 1.223 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1([NH2+]CCCF)CC1 ZINC001699671699 1176564218 /nfs/dbraw/zinc/56/42/18/1176564218.db2.gz ZIRJLPWRNWJFOV-CHWSQXEVSA-N 2 0 285.407 1.457 10 0 CDAERP CCCCC[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001699989426 1176709123 /nfs/dbraw/zinc/70/91/23/1176709123.db2.gz GJJWMVQCPLQWHM-GASCZTMLSA-N 2 0 281.444 1.519 10 0 CDAERP CCC[N@H+](C)CC(=O)NC1CC(C[NH2+]C/C=C\Cl)C1 ZINC001700382290 1176885856 /nfs/dbraw/zinc/88/58/56/1176885856.db2.gz YRXBCGVFWJRIPK-PLNGDYQASA-N 2 0 287.835 1.565 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)CC1CCC1 ZINC001700451674 1176936400 /nfs/dbraw/zinc/93/64/00/1176936400.db2.gz LVILDMUYFHDCMF-OCCSQVGLSA-N 2 0 267.417 1.317 10 0 CDAERP CC[C@@H](C)C[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001700490329 1176980541 /nfs/dbraw/zinc/98/05/41/1176980541.db2.gz ZPXDHFKJLVAIIZ-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCCF)C2)CC[N@@H+]1C ZINC001700631188 1177045033 /nfs/dbraw/zinc/04/50/33/1177045033.db2.gz NPTRGMYCWGQXTC-ZQDZILKHSA-N 2 0 299.434 1.561 10 0 CDAERP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCC1CC1 ZINC001700777922 1177130132 /nfs/dbraw/zinc/13/01/32/1177130132.db2.gz SISMTIFMKHEVOT-OCCSQVGLSA-N 2 0 267.417 1.175 10 0 CDAERP C[N@H+](CCF)CCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001707409188 1178024784 /nfs/dbraw/zinc/02/47/84/1178024784.db2.gz VBOZILWXZWQKMK-UONOGXRCSA-N 2 0 285.407 1.411 10 0 CDAERP CC(C)[N@H+](CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001707481468 1178076333 /nfs/dbraw/zinc/07/63/33/1178076333.db2.gz FUBKGVULGNFVJX-INIZCTEOSA-N 2 0 293.455 1.707 10 0 CDAERP CC[N@H+](C)CCCNC(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC001712948064 1178258584 /nfs/dbraw/zinc/25/85/84/1178258584.db2.gz HTVUEGMQABVRMT-AWEZNQCLSA-N 2 0 293.415 1.248 10 0 CDAERP CC[NH2+][C@H]1CCC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001713383126 1178529520 /nfs/dbraw/zinc/52/95/20/1178529520.db2.gz WDNKIFYOJRBHMB-KBPBESRZSA-N 2 0 269.433 1.755 10 0 CDAERP C[NH+](C)CCCCC(=O)N[C@H]1CCC[C@H]([NH2+]CCF)C1 ZINC001713382795 1178529785 /nfs/dbraw/zinc/52/97/85/1178529785.db2.gz UIQOWYJVILJSSX-KBPBESRZSA-N 2 0 287.423 1.705 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CC1=CCCCC1 ZINC001713447828 1178566060 /nfs/dbraw/zinc/56/60/60/1178566060.db2.gz IKSGBEDFYHJXDR-HNNXBMFYSA-N 2 0 279.428 1.629 10 0 CDAERP CO[C@@H](C)C[NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001713592257 1178674052 /nfs/dbraw/zinc/67/40/52/1178674052.db2.gz OLAPPNOZZDBCNH-AWEZNQCLSA-N 2 0 299.459 1.334 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)CC[NH2+]Cc1nc(C)cs1 ZINC001713656807 1178698957 /nfs/dbraw/zinc/69/89/57/1178698957.db2.gz JQDPXVYVHDZCKP-UHFFFAOYSA-N 2 0 298.456 1.341 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CCC2CC2)C1 ZINC001714055636 1178950060 /nfs/dbraw/zinc/95/00/60/1178950060.db2.gz FOBDJMAGSULBGR-HOTGVXAUSA-N 2 0 293.455 1.709 10 0 CDAERP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCCF)CC2)CC[N@@H+]1C ZINC001714302194 1179074704 /nfs/dbraw/zinc/07/47/04/1179074704.db2.gz BVLORTYZESOERE-KBUPBQIOSA-N 2 0 299.434 1.703 10 0 CDAERP CC(C)CCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001714303866 1179075704 /nfs/dbraw/zinc/07/57/04/1179075704.db2.gz BVIWDPVPEYNWRI-UONOGXRCSA-N 2 0 269.433 1.469 10 0 CDAERP COCCCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001714625743 1179276343 /nfs/dbraw/zinc/27/63/43/1179276343.db2.gz SOEHUAGOEGGEEO-RRFJBIMHSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@@H](Cc1c[nH]cn1)C(=O)N(C)CC[NH2+]CC1CCCC1 ZINC001714768321 1179387122 /nfs/dbraw/zinc/38/71/22/1179387122.db2.gz RQCSOVYFSAPRLA-ZDUSSCGKSA-N 2 0 292.427 1.827 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CCCCCF)C1 ZINC001714968182 1179483154 /nfs/dbraw/zinc/48/31/54/1179483154.db2.gz SAJIJORSMKRWND-OAHLLOKOSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001715018156 1179512414 /nfs/dbraw/zinc/51/24/14/1179512414.db2.gz HIGGJTAZEUTXHB-OAHLLOKOSA-N 2 0 293.455 1.827 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CCF ZINC001715332043 1179628988 /nfs/dbraw/zinc/62/89/88/1179628988.db2.gz WEVDFTVRVWZTCA-CHWSQXEVSA-N 2 0 273.396 1.265 10 0 CDAERP CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001715333190 1179630130 /nfs/dbraw/zinc/63/01/30/1179630130.db2.gz SWIMHRFRUQXUHI-FRRDWIJNSA-N 2 0 255.406 1.173 10 0 CDAERP C[C@H](C[NH2+]CCC1CC1)N(C)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001715374850 1179648218 /nfs/dbraw/zinc/64/82/18/1179648218.db2.gz JQIXFGQQWBENJJ-PBHICJAKSA-N 2 0 293.455 1.709 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CCCF ZINC001715551423 1179713279 /nfs/dbraw/zinc/71/32/79/1179713279.db2.gz CZSXRNDMJIGFPI-CHWSQXEVSA-N 2 0 273.396 1.172 10 0 CDAERP CC(C)CC[NH2+]CC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001715695339 1179767504 /nfs/dbraw/zinc/76/75/04/1179767504.db2.gz AWAYDAZDXHMBFM-CQSZACIVSA-N 2 0 281.444 1.613 10 0 CDAERP CCN(CC[NH2+]CC(C)C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001715741199 1179786053 /nfs/dbraw/zinc/78/60/53/1179786053.db2.gz YUGVFNQLNSBKQS-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CCOCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001716032594 1180007001 /nfs/dbraw/zinc/00/70/01/1180007001.db2.gz WVSFQGWMMSASKR-RRFJBIMHSA-N 2 0 299.459 1.190 10 0 CDAERP CCN(CC[NH2+]CCC(F)(F)F)C(=O)C[N@H+](C)C(C)C ZINC001716256105 1180121220 /nfs/dbraw/zinc/12/12/20/1180121220.db2.gz PDWGMOAMXWQRFB-UHFFFAOYSA-N 2 0 297.365 1.717 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC/C=C\C[NH2+]CC2CCC2)C1 ZINC001716343856 1180163193 /nfs/dbraw/zinc/16/31/93/1180163193.db2.gz LIHUPBOGYOTPOS-PYLYLYNFSA-N 2 0 279.428 1.390 10 0 CDAERP CN(CCC[NH2+]Cc1nccs1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001716585758 1180294341 /nfs/dbraw/zinc/29/43/41/1180294341.db2.gz RRLDOEZFSUVQNE-LBPRGKRZSA-N 2 0 296.440 1.033 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+]CC1CC1)C1CC1 ZINC001716632124 1180316354 /nfs/dbraw/zinc/31/63/54/1180316354.db2.gz VBUOGQQKCUBSEQ-CQSZACIVSA-N 2 0 267.417 1.221 10 0 CDAERP CCCC[NH2+]C[C@]1(C)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001716880987 1180451739 /nfs/dbraw/zinc/45/17/39/1180451739.db2.gz YKVHEQRATNFXBO-RDJZCZTQSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001716990101 1180494245 /nfs/dbraw/zinc/49/42/45/1180494245.db2.gz DIZNWVZUEQJLGW-CABCVRRESA-N 2 0 283.460 1.668 10 0 CDAERP CC(C)=CC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001717286210 1180604945 /nfs/dbraw/zinc/60/49/45/1180604945.db2.gz QFSZRCXIQYUZPM-LSDHHAIUSA-N 2 0 281.444 1.731 10 0 CDAERP CCCC[NH2+][C@H](C)[C@@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001717618289 1180761065 /nfs/dbraw/zinc/76/10/65/1180761065.db2.gz ZKSCJTWQYXOBDD-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001717653276 1180776153 /nfs/dbraw/zinc/77/61/53/1180776153.db2.gz VGLLUCSEUCNNOX-RBSFLKMASA-N 2 0 281.444 1.469 10 0 CDAERP C[NH2+]CCCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000249855153 1181138690 /nfs/dbraw/zinc/13/86/90/1181138690.db2.gz QCOVTTFSVZZSNT-MJBXVCDLSA-N 2 0 267.417 1.365 10 0 CDAERP CCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001722951157 1181498983 /nfs/dbraw/zinc/49/89/83/1181498983.db2.gz BDKNWDKOZXWECL-CABCVRRESA-N 2 0 293.455 1.757 10 0 CDAERP CC(C)CC[NH2+]CCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001723022165 1181511012 /nfs/dbraw/zinc/51/10/12/1181511012.db2.gz FXLZKELMZLGTBD-MRXNPFEDSA-N 2 0 295.471 1.812 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001723484591 1181576511 /nfs/dbraw/zinc/57/65/11/1181576511.db2.gz XZKCBTRTJQQVMB-CQSZACIVSA-N 2 0 267.417 1.463 10 0 CDAERP CCC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001725420601 1181993827 /nfs/dbraw/zinc/99/38/27/1181993827.db2.gz XGSCHLHBQQIDQS-QWHCGFSZSA-N 2 0 255.406 1.223 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCCF)C1 ZINC001731660357 1182506785 /nfs/dbraw/zinc/50/67/85/1182506785.db2.gz PAVMTJVAXWYTSB-GJZGRUSLSA-N 2 0 299.434 1.659 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001731836592 1182615662 /nfs/dbraw/zinc/61/56/62/1182615662.db2.gz LNAPQRKUNSDYTI-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP CC(C)CC[NH2+]CCN(C)C(=O)C[N@H+](C)C(C)C ZINC001731988650 1182715803 /nfs/dbraw/zinc/71/58/03/1182715803.db2.gz YZJURXDZASOEER-UHFFFAOYSA-N 2 0 257.422 1.421 10 0 CDAERP COCCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001732157165 1182817960 /nfs/dbraw/zinc/81/79/60/1182817960.db2.gz HIGLEGUTNSKQDH-CABCVRRESA-N 2 0 297.443 1.040 10 0 CDAERP C[N@H+](CC(=O)N1CCCC[C@@H]1CC[NH2+]CCF)C1CCC1 ZINC001732506403 1182992576 /nfs/dbraw/zinc/99/25/76/1182992576.db2.gz APULRSXOHICTOK-OAHLLOKOSA-N 2 0 299.434 1.801 10 0 CDAERP CCCCCC[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001732598905 1183039516 /nfs/dbraw/zinc/03/95/16/1183039516.db2.gz WQMZYQKETUDSHO-HNNXBMFYSA-N 2 0 283.460 1.909 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC[C@H](C)F ZINC001732940557 1183191441 /nfs/dbraw/zinc/19/14/41/1183191441.db2.gz BIFDUZFMZFZLBK-ICWYTKJFSA-N 2 0 299.434 1.871 10 0 CDAERP CCCCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001732990200 1183224113 /nfs/dbraw/zinc/22/41/13/1183224113.db2.gz ULWMLFQXLMPJAP-STQMWFEESA-N 2 0 255.406 1.365 10 0 CDAERP C[C@@H](C[NH2+]CC1=CCCCC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001733019829 1183241082 /nfs/dbraw/zinc/24/10/82/1183241082.db2.gz JNBMAIXMSAGNMK-GOEBONIOSA-N 2 0 293.455 1.923 10 0 CDAERP CCCCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001733069873 1183276169 /nfs/dbraw/zinc/27/61/69/1183276169.db2.gz ZNGLCRRIPPOIQR-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[NH2+]CCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001733126294 1183300312 /nfs/dbraw/zinc/30/03/12/1183300312.db2.gz DFUUNSKJZZMZFL-ZDUSSCGKSA-N 2 0 255.406 1.175 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H]([NH2+]CCOC(C)C)C1 ZINC001733852789 1183550258 /nfs/dbraw/zinc/55/02/58/1183550258.db2.gz HZHHCJOQXJGRNA-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC1CC1 ZINC001733998177 1183608294 /nfs/dbraw/zinc/60/82/94/1183608294.db2.gz ASCMEISTMHCJKI-NEPJUHHUSA-N 2 0 255.406 1.221 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCCF)C1 ZINC001734220104 1183695982 /nfs/dbraw/zinc/69/59/82/1183695982.db2.gz NTEHDNIXWPBCOH-RBSFLKMASA-N 2 0 299.434 1.705 10 0 CDAERP CC(C)OCC[NH2+][C@H](C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001734328244 1183734186 /nfs/dbraw/zinc/73/41/86/1183734186.db2.gz JSMVGOHFJZAKNZ-CQSZACIVSA-N 2 0 299.459 1.332 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CCC[N@@H+]1CCCO ZINC001734456720 1183785706 /nfs/dbraw/zinc/78/57/06/1183785706.db2.gz IGBJBVAIECMLIQ-CABCVRRESA-N 2 0 299.459 1.070 10 0 CDAERP C[C@@H]1C[C@H]2CC[C@@H](C(=O)N[C@@H]3CCC[C@H]3[NH+](C)C)C[N@@H+]2C1 ZINC001772435014 1187228703 /nfs/dbraw/zinc/22/87/03/1187228703.db2.gz GGNVWQMMLOXBFH-OXGONZEZSA-N 2 0 293.455 1.706 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001691706109 1164425997 /nfs/dbraw/zinc/42/59/97/1164425997.db2.gz LPHVEIPNCLMZSZ-LVQVYYBASA-N 2 0 293.455 1.777 10 0 CDAERP CC[C@H]1CCN(C(=[NH2+])NCC2([NH+](C)C)CCC2)C1 ZINC000864463853 754555631 /nfs/dbraw/zinc/55/56/31/754555631.db2.gz LRQORFSGNRZNOA-LBPRGKRZSA-N 2 0 252.406 1.727 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)NCCCCCC[NH3+])CC1 ZINC000831143223 755469867 /nfs/dbraw/zinc/46/98/67/755469867.db2.gz JKWJXDRWIUGVHI-UHFFFAOYSA-N 2 0 298.475 1.925 10 0 CDAERP [NH3+]C[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)C[C@H]1C(F)(F)F ZINC000872150394 753853689 /nfs/dbraw/zinc/85/36/89/753853689.db2.gz DYUNSPLLXYIONE-VXGBXAGGSA-N 3 0 279.350 1.445 10 0 CDAERP C[C@@H]1C[C@H]1NC(=[NH2+])NCc1cccc(C[NH+](C)C)c1 ZINC000864452104 753863466 /nfs/dbraw/zinc/86/34/66/753863466.db2.gz LOCBHCGIXCLMIP-BXUZGUMPSA-N 2 0 260.385 1.771 10 0 CDAERP C[C@H]1C[C@H]1NC(=[NH2+])NCCCCC[NH+]1CCCC1 ZINC000864465741 753913860 /nfs/dbraw/zinc/91/38/60/753913860.db2.gz BPXKMSYCVFLHGR-QWHCGFSZSA-N 2 0 252.406 1.775 10 0 CDAERP CC(C)(O)C[C@@H](O)C[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000872203097 753963731 /nfs/dbraw/zinc/96/37/31/753963731.db2.gz VMPVKUVSCMOYNI-UYSNPLJNSA-N 2 0 298.471 1.895 10 0 CDAERP Cc1ccc(C[N@H+](C)C[C@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC000923297601 754040738 /nfs/dbraw/zinc/04/07/38/754040738.db2.gz KYTHOOGSXAVLSD-OAHLLOKOSA-N 2 0 260.381 1.805 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H]1CC[NH+](C)[C@H]1C ZINC000922546583 754118303 /nfs/dbraw/zinc/11/83/03/754118303.db2.gz DSUBFGBSPUADFV-MELADBBJSA-N 2 0 284.448 1.499 10 0 CDAERP C[NH+](C)C1(CN[C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCOCC1 ZINC000925488837 754165933 /nfs/dbraw/zinc/16/59/33/754165933.db2.gz MJJHJTWSKOEGKV-ILXRZTDVSA-N 2 0 295.471 1.463 10 0 CDAERP CCC[C@@H](C)C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872256735 754216659 /nfs/dbraw/zinc/21/66/59/754216659.db2.gz XGALUHXENMPPAI-RQJABVFESA-N 2 0 281.400 1.290 10 0 CDAERP CC(C)C[C@H]([NH2+][C@@H]1CO[C@@H](C)[C@H]1C)C(=O)NCC[NH+](C)C ZINC000925952558 754273144 /nfs/dbraw/zinc/27/31/44/754273144.db2.gz JWEQQRCLXZVMHB-CBBWQLFWSA-N 2 0 299.459 1.092 10 0 CDAERP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925788700 754305498 /nfs/dbraw/zinc/30/54/98/754305498.db2.gz AZKUJBWYNGHTQK-AGIUHOORSA-N 2 0 255.406 1.079 10 0 CDAERP c1csc(-c2cnc(CN3CC[NH2+]CC[NH2+]CC3)o2)c1 ZINC000923463478 754384483 /nfs/dbraw/zinc/38/44/83/754384483.db2.gz SIZKCWGJFMKJSN-UHFFFAOYSA-N 2 0 292.408 1.398 10 0 CDAERP CN1Cc2ccccc2[C@H]1CNC(=O)CC1CC[NH2+]CC1 ZINC000870979370 754386644 /nfs/dbraw/zinc/38/66/44/754386644.db2.gz JHTGTOOPTGNNLV-MRXNPFEDSA-N 2 0 287.407 1.679 10 0 CDAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000094754889 754468816 /nfs/dbraw/zinc/46/88/16/754468816.db2.gz DMZQKIJCYORJIA-YJNKXOJESA-N 2 0 279.428 1.589 10 0 CDAERP CC1(C)[C@@H]([NH2+]CCC2CC(O)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925653019 754500227 /nfs/dbraw/zinc/50/02/27/754500227.db2.gz VCCLUIVVPZXFDC-LSUUEXMVSA-N 2 0 252.402 1.514 10 0 CDAERP CC[C@@H]1CCN(C(=[NH2+])NCCN2CCC([NH+](C)C)CC2)C1 ZINC000864458038 754541598 /nfs/dbraw/zinc/54/15/98/754541598.db2.gz VVCBDRSIKWHECR-CQSZACIVSA-N 2 0 295.475 1.269 10 0 CDAERP COC(=O)CCCC[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923442401 754595828 /nfs/dbraw/zinc/59/58/28/754595828.db2.gz CBRZLOFCOYEGGT-ZDUSSCGKSA-N 2 0 284.400 1.160 10 0 CDAERP CC(C)[C@H]1CCC[C@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925816582 754636681 /nfs/dbraw/zinc/63/66/81/754636681.db2.gz ZLGJGJUDQRFFMC-HUUCEWRRSA-N 2 0 253.434 1.824 10 0 CDAERP COC[C@@H](C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1)C(C)C ZINC000930904419 754637632 /nfs/dbraw/zinc/63/76/32/754637632.db2.gz STUSJHHGWAQKOH-CABCVRRESA-N 2 0 272.433 1.294 10 0 CDAERP C[N@H+](CCCc1ccccc1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923304143 754641506 /nfs/dbraw/zinc/64/15/06/754641506.db2.gz USVQROXZOMANCG-INIZCTEOSA-N 2 0 274.408 1.930 10 0 CDAERP C[N@H+](CC1CC[NH+](C)CC1)CN1C[C@H](C(F)F)CC1=O ZINC000795426292 754672171 /nfs/dbraw/zinc/67/21/71/754672171.db2.gz MKLUTODLAPYSGP-GFCCVEGCSA-N 2 0 289.370 1.331 10 0 CDAERP CC(C)C[N@H+](C[C@H](O)C1(O)CCC1)CC1CC[NH+](C)CC1 ZINC000931563746 754709363 /nfs/dbraw/zinc/70/93/63/754709363.db2.gz UKMYROJNUMYFMM-INIZCTEOSA-N 2 0 298.471 1.562 10 0 CDAERP NC(=O)c1ccc(CC[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000866667581 754760039 /nfs/dbraw/zinc/76/00/39/754760039.db2.gz QWIWTCKFCYRCLQ-ZIAGYGMSSA-N 2 0 261.369 1.188 10 0 CDAERP CO[C@](C)(CO)C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926661323 754878152 /nfs/dbraw/zinc/87/81/52/754878152.db2.gz JDEDSSUZYMAPAQ-CJNGLKHVSA-N 2 0 280.412 1.796 10 0 CDAERP C[C@@H](c1ccc(F)cc1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923461537 754878848 /nfs/dbraw/zinc/87/88/48/754878848.db2.gz QPEAQEUXHJVKRM-LBPRGKRZSA-N 2 0 251.349 1.382 10 0 CDAERP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C=C2CC[NH2+]CC2)C1 ZINC000852869261 754895952 /nfs/dbraw/zinc/89/59/52/754895952.db2.gz AITMMIXMJLRRQX-MRXNPFEDSA-N 2 0 291.439 1.487 10 0 CDAERP C[C@H](CC[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)[NH+](C)C ZINC000922254362 754896056 /nfs/dbraw/zinc/89/60/56/754896056.db2.gz JFWDWONDBYOCPY-MNQBEEPXSA-N 2 0 252.402 1.730 10 0 CDAERP CC(C)O[C@]1(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CCOC1 ZINC000722342992 754899361 /nfs/dbraw/zinc/89/93/61/754899361.db2.gz CCCGTIQTONCADA-KFWWJZLASA-N 2 0 270.417 1.643 10 0 CDAERP C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)C1CC[NH+](C)CC1 ZINC000925845682 754909464 /nfs/dbraw/zinc/90/94/64/754909464.db2.gz ZTKKXBRLHIOGAC-NUEKZKHPSA-N 3 0 265.445 1.839 10 0 CDAERP Cc1cc([C@@H]([NH3+])CC(=O)NC[C@@H]2CCC[NH2+]2)cc(Cl)n1 ZINC000841847187 754911787 /nfs/dbraw/zinc/91/17/87/754911787.db2.gz SEGNDPPEAGESLP-RYUDHWBXSA-N 2 0 296.802 1.302 10 0 CDAERP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CCOC12CCOCC2 ZINC000924528182 754943171 /nfs/dbraw/zinc/94/31/71/754943171.db2.gz YNDHNULZNXOZKZ-ZDUSSCGKSA-N 2 0 270.417 1.502 10 0 CDAERP CC[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccncc1 ZINC000925816370 754945644 /nfs/dbraw/zinc/94/56/44/754945644.db2.gz FSELFKFBFJZBII-HNNXBMFYSA-N 2 0 262.401 1.545 10 0 CDAERP C[C@@H](C[C@@H]1COCCN1)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000925861855 755008102 /nfs/dbraw/zinc/00/81/02/755008102.db2.gz ULSHGBGBDJLXML-ORBLRFAASA-N 2 0 295.471 1.750 10 0 CDAERP Cc1cc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)nn1C ZINC000926910991 755015708 /nfs/dbraw/zinc/01/57/08/755015708.db2.gz NNAKUEIQBILOLW-ARFHVFGLSA-N 2 0 276.428 1.733 10 0 CDAERP CN1C[C@H](CC[NH2+]Cc2ccc(-n3ccnc3)cc2)CC1=O ZINC000922485934 755029332 /nfs/dbraw/zinc/02/93/32/755029332.db2.gz MGLCZLLDGWWXPH-OAHLLOKOSA-N 2 0 298.390 1.830 10 0 CDAERP CC(C)OC[C@@H](O)C[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000872222883 755066699 /nfs/dbraw/zinc/06/66/99/755066699.db2.gz HUALACUZDMPOBS-INIZCTEOSA-N 2 0 286.460 1.872 10 0 CDAERP C[C@@H](CC(=O)NCC[C@@H]1CCC[NH2+]C1)C1CC[NH2+]CC1 ZINC000237442276 755252620 /nfs/dbraw/zinc/25/26/20/755252620.db2.gz KNBIJAHRZRQILP-KBPBESRZSA-N 2 0 281.444 1.518 10 0 CDAERP C[C@@H](CCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+]1CCCCC1 ZINC000921934649 755264301 /nfs/dbraw/zinc/26/43/01/755264301.db2.gz TYCPNPKTXDKXFY-RRFJBIMHSA-N 2 0 296.459 1.643 10 0 CDAERP C[C@@H](C(=O)NC1CCCC1)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923505132 755277589 /nfs/dbraw/zinc/27/75/89/755277589.db2.gz YTHPAXGFYKAGOP-AGIUHOORSA-N 2 0 267.417 1.350 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCC1CCOCC1 ZINC000849033274 755329888 /nfs/dbraw/zinc/32/98/88/755329888.db2.gz ZUIARCKONIUXSJ-OAHLLOKOSA-N 2 0 296.459 1.791 10 0 CDAERP CO[C@H]1C[C@@H](C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)C1 ZINC000872143152 755332404 /nfs/dbraw/zinc/33/24/04/755332404.db2.gz MUDXKTWFFCSHQT-XQLPTFJDSA-N 2 0 252.402 1.875 10 0 CDAERP COc1ccccc1[C@H](O)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000843342567 755336480 /nfs/dbraw/zinc/33/64/80/755336480.db2.gz NPXHSLHMVXSZNB-TTZDDIAXSA-N 2 0 290.407 1.706 10 0 CDAERP CC(C)[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)C1CC1 ZINC000925849158 755342640 /nfs/dbraw/zinc/34/26/40/755342640.db2.gz AUDTVNKVEQLYLP-UONOGXRCSA-N 2 0 280.412 1.696 10 0 CDAERP C[C@H](CN[C@H]1C[C@H]([NH3+])CC(C)(C)C1)[N@H+](C)C1CC1 ZINC000925497370 755390873 /nfs/dbraw/zinc/39/08/73/755390873.db2.gz VXLOZOFGPXAWGQ-AGIUHOORSA-N 2 0 253.434 1.965 10 0 CDAERP [NH3+]CC1(CC[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)CC1 ZINC000925701830 755402415 /nfs/dbraw/zinc/40/24/15/755402415.db2.gz GMTWFTFYSJJWTJ-BFHYXJOUSA-N 2 0 252.402 1.910 10 0 CDAERP CC[NH+](CC)C[C@@H]1CC[N@H+](CCC(=O)N(C)OC)C1 ZINC000799124360 755486990 /nfs/dbraw/zinc/48/69/90/755486990.db2.gz RZAIMBNILWNWDR-ZDUSSCGKSA-N 2 0 271.405 1.060 10 0 CDAERP C[C@@H]1CN(C(=[NH2+])NCCCC[N@H+](C)C2CC2)CCO1 ZINC000849039494 755522273 /nfs/dbraw/zinc/52/22/73/755522273.db2.gz BLQYTXBQIZAJRZ-GFCCVEGCSA-N 2 0 268.405 1.106 10 0 CDAERP CN(C)c1cc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)ccn1 ZINC000795333841 755539624 /nfs/dbraw/zinc/53/96/24/755539624.db2.gz ABQUKXSSPPKRAS-MRXNPFEDSA-N 2 0 274.412 1.675 10 0 CDAERP C[NH+](C)C1(C)CCC([NH2+][C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000715519622 755550175 /nfs/dbraw/zinc/55/01/75/755550175.db2.gz UZSDKNJNGKGLKO-JLVJUDLZSA-N 3 0 253.434 1.966 10 0 CDAERP CC(C)(C)S(=O)(=O)CCCN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000718697472 755591342 /nfs/dbraw/zinc/59/13/42/755591342.db2.gz KHESYCNFGZYHIJ-AVGNSLFASA-N 2 0 288.457 1.259 10 0 CDAERP CCOC(=O)[C@@H]1[C@@H]2CCN(CCC[NH2+]C3CC3)C[C@@H]21 ZINC000923432149 755617762 /nfs/dbraw/zinc/61/77/62/755617762.db2.gz JPKNSXXLDOCTRL-HZSPNIEDSA-N 2 0 266.385 1.260 10 0 CDAERP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cccc(-n2cnnn2)c1 ZINC000925877965 755642903 /nfs/dbraw/zinc/64/29/03/755642903.db2.gz ZXNNTFQYPMKJJR-BZPMIXESSA-N 2 0 286.383 1.440 10 0 CDAERP CC(C)(CC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)S(C)(=O)=O ZINC000925695598 755659630 /nfs/dbraw/zinc/65/96/30/755659630.db2.gz IPTHLDCWWTUKPP-NWDGAFQWSA-N 2 0 290.473 1.695 10 0 CDAERP O[C@@H](CN[C@H]1CC[NH2+]C12CCC2)COc1ccccc1F ZINC000923397555 755662381 /nfs/dbraw/zinc/66/23/81/755662381.db2.gz CWQDBHFLQAZLLP-WFASDCNBSA-N 2 0 294.370 1.440 10 0 CDAERP C[C@@H]([NH3+])C[C@@H](C)[NH2+][C@@H](C)[C@H](O)c1ccc2c(c1)OCO2 ZINC000817927343 755686251 /nfs/dbraw/zinc/68/62/51/755686251.db2.gz JPORROISDZJQGS-OZWUEAAUSA-N 2 0 280.368 1.553 10 0 CDAERP CC(C)C[N@H+](CCOCC[NH3+])CC1CC[NH+](C)CC1 ZINC000866717832 755801285 /nfs/dbraw/zinc/80/12/85/755801285.db2.gz QIJCRLXDVQLPPF-UHFFFAOYSA-N 3 0 271.449 1.262 10 0 CDAERP CO[C@H]1C[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000714751376 755823217 /nfs/dbraw/zinc/82/32/17/755823217.db2.gz HKPLWDYMGIXPDL-KJWHEZOQSA-N 2 0 252.402 1.922 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000857253749 755834058 /nfs/dbraw/zinc/83/40/58/755834058.db2.gz RADLPMJMSFVRBB-VHSXEESVSA-N 2 0 269.216 1.914 10 0 CDAERP C[C@H]1C[C@@H]1NC(=[NH2+])NCc1ccccc1OCC[NH+](C)C ZINC000864457837 755839251 /nfs/dbraw/zinc/83/92/51/755839251.db2.gz VBISEQDUWYTBEO-JSGCOSHPSA-N 2 0 290.411 1.649 10 0 CDAERP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CCO[C@@H]3CCOC3)CC2)C1 ZINC000923379445 755839575 /nfs/dbraw/zinc/83/95/75/755839575.db2.gz OYJQEMZCKLKCAA-BZUAXINKSA-N 2 0 298.427 1.010 10 0 CDAERP Cc1cc([C@H]([NH3+])CC(=O)NC[C@H](C)C[NH3+])cc(Cl)n1 ZINC000834340793 755844198 /nfs/dbraw/zinc/84/41/98/755844198.db2.gz DMXNSBNGOFDOPL-LDYMZIIASA-N 2 0 284.791 1.144 10 0 CDAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](C[C@H]1CC[C@H](C3CC3)O1)CC2 ZINC000923447619 755850893 /nfs/dbraw/zinc/85/08/93/755850893.db2.gz UXKWATVNHPUGMP-OWCLPIDISA-N 2 0 294.439 1.774 10 0 CDAERP CCOC(=O)C1=CC[C@@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000858504585 755858790 /nfs/dbraw/zinc/85/87/90/755858790.db2.gz UPJSOOOHAZOIHH-SWLSCSKDSA-N 2 0 280.412 1.958 10 0 CDAERP Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]CCC[NH2+]C2CC2)cn1 ZINC000923390572 755863694 /nfs/dbraw/zinc/86/36/94/755863694.db2.gz SZMMQOBOGQFECH-ZBFHGGJFSA-N 2 0 276.428 1.863 10 0 CDAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@@H]3C[C@@H]4CCC[C@H]4O3)C[C@H]12 ZINC000720883374 755866979 /nfs/dbraw/zinc/86/69/79/755866979.db2.gz WQBPOXZLNOCPNW-PMKSJIGOSA-N 2 0 250.386 1.613 10 0 CDAERP C[C@@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)C1C[NH2+]C1 ZINC000925832694 755874475 /nfs/dbraw/zinc/87/44/75/755874475.db2.gz DKMZPKMRFUNFHC-PSASIEDQSA-N 2 0 253.312 1.067 10 0 CDAERP CCN(CC)C(=O)[C@H](C)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000931307844 755962325 /nfs/dbraw/zinc/96/23/25/755962325.db2.gz MFSJIDQNRVBFRI-CWRNSKLLSA-N 2 0 281.444 1.517 10 0 CDAERP CC[NH2+]CC1CC[NH+](C[C@@H]2C[C@H]3COC[C@H]3O2)CC1 ZINC000724576388 755988148 /nfs/dbraw/zinc/98/81/48/755988148.db2.gz DYXIERQRLSJKHI-SOUVJXGZSA-N 2 0 268.401 1.112 10 0 CDAERP CN(C(=O)c1ccc(C[NH3+])cc1)C1CCC([NH3+])CC1 ZINC000131990661 756014378 /nfs/dbraw/zinc/01/43/78/756014378.db2.gz VTSZXRNZNFHVLS-UHFFFAOYSA-N 2 0 261.369 1.487 10 0 CDAERP C[C@H](CNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH+](C)C1CC1 ZINC000896139359 756062911 /nfs/dbraw/zinc/06/29/11/756062911.db2.gz ZWNCJFOGQNXQQM-DOMZBBRYSA-N 2 0 265.401 1.071 10 0 CDAERP CC1(C)[C@@H]([NH2+]CCCOC(F)F)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925668332 756091849 /nfs/dbraw/zinc/09/18/49/756091849.db2.gz YRTBGMXIIDSNLJ-VWYCJHECSA-N 2 0 262.344 1.982 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925840497 756111664 /nfs/dbraw/zinc/11/16/64/756111664.db2.gz MMEUJTMVZKJESD-GBJTYRQASA-N 3 0 251.418 1.626 10 0 CDAERP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000866703714 756133832 /nfs/dbraw/zinc/13/38/32/756133832.db2.gz KQGGGDNMAPKIAJ-UPJWGTAASA-N 2 0 268.426 1.192 10 0 CDAERP Cc1cc(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)no1 ZINC000826902918 756180749 /nfs/dbraw/zinc/18/07/49/756180749.db2.gz MOVBTRXDPHMUMA-LBPRGKRZSA-N 2 0 268.405 1.345 10 0 CDAERP Cn1cnc(CCC[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)n1 ZINC000925704164 756213005 /nfs/dbraw/zinc/21/30/05/756213005.db2.gz IQWRZGAQLRANRV-NEPJUHHUSA-N 2 0 265.405 1.243 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925839731 756254183 /nfs/dbraw/zinc/25/41/83/756254183.db2.gz CXTOYGUTWOOPHA-RYTJFDOTSA-N 3 0 294.487 1.167 10 0 CDAERP CON1CCC([NH2+]CCC[N@H+](C)CC(C)C)CC1 ZINC000926644636 756256712 /nfs/dbraw/zinc/25/67/12/756256712.db2.gz HUVORZRORAETAJ-UHFFFAOYSA-N 2 0 257.422 1.580 10 0 CDAERP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870973812 756277886 /nfs/dbraw/zinc/27/78/86/756277886.db2.gz FZPFYZHYSZMKOP-YIDVYQOGSA-N 2 0 293.455 1.931 10 0 CDAERP C[C@@H](O)[C@@H](C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000808424847 756317517 /nfs/dbraw/zinc/31/75/17/756317517.db2.gz BAJBNNCYEDEPBJ-CHWSQXEVSA-N 2 0 266.385 1.486 10 0 CDAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2[C@@H](C)COC[C@H]2C)CC1 ZINC000924948572 756319310 /nfs/dbraw/zinc/31/93/10/756319310.db2.gz DUISJJHWXSOIIA-NCOADZHNSA-N 2 0 297.487 1.521 10 0 CDAERP CCN1C[C@@H](C[NH+]2CCC(n3ccnc3)CC2)OC1=O ZINC000846811854 756356444 /nfs/dbraw/zinc/35/64/44/756356444.db2.gz PBXHHTNLTGTHLT-CYBMUJFWSA-N 2 0 278.356 1.361 10 0 CDAERP C[N@@H+]1CCN(C(=O)CCCCC[NH3+])CCC1(C)C ZINC000712670313 756408506 /nfs/dbraw/zinc/40/85/06/756408506.db2.gz HQSZUQDMPCOKQN-UHFFFAOYSA-N 2 0 255.406 1.448 10 0 CDAERP CCc1noc([C@@H]2CC[C@H]([NH2+][C@H]3CCC[C@H]3C[NH3+])C2)n1 ZINC000925872878 756426932 /nfs/dbraw/zinc/42/69/32/756426932.db2.gz KQKRBLATPYEHCL-VOAKCMCISA-N 2 0 278.400 1.985 10 0 CDAERP CC(C)([NH3+])c1noc(CN2CC[C@@](C[NH3+])(C(C)(C)C)C2)n1 ZINC000866702871 756461056 /nfs/dbraw/zinc/46/10/56/756461056.db2.gz HQOYFFKVMGEHTE-HNNXBMFYSA-N 2 0 295.431 1.460 10 0 CDAERP [NH3+]C[C@@H]1CCCN(CCC[NH2+]C2CC2)[C@@H]1C(F)(F)F ZINC000923400966 756489904 /nfs/dbraw/zinc/48/99/04/756489904.db2.gz PFASAVFQQVZAHD-JQWIXIFHSA-N 2 0 279.350 1.730 10 0 CDAERP O[C@@H](C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)C1(O)CCC1 ZINC000929688071 756582626 /nfs/dbraw/zinc/58/26/26/756582626.db2.gz OXNRNQPADJDIBB-CABCVRRESA-N 2 0 282.428 1.213 10 0 CDAERP C(CN1CCCC1)[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000723615846 756628015 /nfs/dbraw/zinc/62/80/15/756628015.db2.gz QUNNVONVTUCSOK-RRFJBIMHSA-N 2 0 252.402 1.877 10 0 CDAERP CC1(C)[C@H]([NH2+]CCC2CC[NH2+]CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925702016 756640911 /nfs/dbraw/zinc/64/09/11/756640911.db2.gz JHBOGHPBIWTPPQ-QLFBSQMISA-N 3 0 265.445 1.742 10 0 CDAERP CC1(C)[C@@H](N[C@@H]2C[NH2+]CCC2(F)F)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925705942 756659724 /nfs/dbraw/zinc/65/97/24/756659724.db2.gz JBYHYFASRBXEQD-WYUUTHIRSA-N 2 0 273.371 1.350 10 0 CDAERP C[NH+](C)CC[C@H](NC(=O)C1([NH+](C)C)CC1)c1cccnc1 ZINC000928830254 756664244 /nfs/dbraw/zinc/66/42/44/756664244.db2.gz ZDKFWVKUILCILS-AWEZNQCLSA-N 2 0 290.411 1.285 10 0 CDAERP COc1ccc2c(c1)[C@H]([NH2+]CCN1CCC([NH3+])CC1)CC2 ZINC000925808683 756677321 /nfs/dbraw/zinc/67/73/21/756677321.db2.gz CUINGMKVOSOSFU-QGZVFWFLSA-N 2 0 289.423 1.695 10 0 CDAERP C[C@@H](NC[C@H]1C[NH2+]CCC1(F)F)[C@@H]1CCCC[NH2+]1 ZINC000925774536 756691234 /nfs/dbraw/zinc/69/12/34/756691234.db2.gz AYDPWEUKKYKZHP-UTUOFQBUSA-N 2 0 261.360 1.351 10 0 CDAERP C[C@@H]1C[N@H+](Cc2nc(N)c3ccccc3n2)CC[C@@H]1C[NH3+] ZINC000923500113 756819022 /nfs/dbraw/zinc/81/90/22/756819022.db2.gz UXBRCFSCFXVOEF-VXGBXAGGSA-N 2 0 285.395 1.629 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CCC2(C)OCCO2)CC1(C)C ZINC000858156876 756840319 /nfs/dbraw/zinc/84/03/19/756840319.db2.gz PHTHDPHZXLYULD-GFCCVEGCSA-N 2 0 256.390 1.602 10 0 CDAERP CC[N@@H+]1CC[C@@H]1CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000922159766 756870805 /nfs/dbraw/zinc/87/08/05/756870805.db2.gz URFRAODMAUPIMN-CVEARBPZSA-N 2 0 289.423 1.890 10 0 CDAERP CCC[C@H](C(=O)OCC)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923449759 756882064 /nfs/dbraw/zinc/88/20/64/756882064.db2.gz BXMDDMYGWAVPBZ-UONOGXRCSA-N 2 0 298.427 1.548 10 0 CDAERP CCCCOC(=O)CCN1CCC([NH+](C)C)CC1 ZINC000193811231 757025746 /nfs/dbraw/zinc/02/57/46/757025746.db2.gz FWEVXPMKYHSIKI-UHFFFAOYSA-N 2 0 256.390 1.746 10 0 CDAERP [NH3+]CCOc1cccc(NC(=O)C2([NH2+]C3CC3)CCC2)c1 ZINC000852794508 757070045 /nfs/dbraw/zinc/07/00/45/757070045.db2.gz ACRFNEPPSZQFAX-UHFFFAOYSA-N 2 0 289.379 1.637 10 0 CDAERP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000713053616 757216650 /nfs/dbraw/zinc/21/66/50/757216650.db2.gz WKQJIRZDROFUIO-CQSZACIVSA-N 2 0 281.444 1.739 10 0 CDAERP CN(c1cc[nH+]cc1CO)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000394352297 757242865 /nfs/dbraw/zinc/24/28/65/757242865.db2.gz HMIFRNMIKUUQJI-PBWFPOADSA-N 2 0 261.369 1.635 10 0 CDAERP C[N@@H+]1C[C@@]2(C)CN(C[C@@H]3CCC4(COC4)O3)C[C@@]2(C)C1 ZINC000931316807 757293361 /nfs/dbraw/zinc/29/33/61/757293361.db2.gz KOTJWUSCVKSCPC-SOUVJXGZSA-N 2 0 280.412 1.208 10 0 CDAERP [NH3+][C@@H]1C[C@H](NC[C@H]2C[NH2+]CCC2(F)F)c2ccccc21 ZINC000925776859 757320009 /nfs/dbraw/zinc/32/00/09/757320009.db2.gz NAVOWLMXUFKCFK-HONMWMINSA-N 2 0 281.350 1.966 10 0 CDAERP Cc1ccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)o1 ZINC000870024006 757358623 /nfs/dbraw/zinc/35/86/23/757358623.db2.gz GJDQFNWQMWCSQJ-ZIAGYGMSSA-N 2 0 293.411 1.399 10 0 CDAERP C[NH+]1CCC(C[NH2+][C@@H]2CON(C(=O)OC(C)(C)C)C2)CC1 ZINC000703391830 757420649 /nfs/dbraw/zinc/42/06/49/757420649.db2.gz XAFOYLUTMGPRIY-ZDUSSCGKSA-N 2 0 299.415 1.469 10 0 CDAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@@H]1CCCC[NH2+]C1 ZINC000700295454 757442895 /nfs/dbraw/zinc/44/28/95/757442895.db2.gz KJOOGVBXNDUUNG-OAGGEKHMSA-N 2 0 265.445 1.935 10 0 CDAERP [NH3+]CCC[N@@H+](Cc1ccccc1)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724594506 757514530 /nfs/dbraw/zinc/51/45/30/757514530.db2.gz OPVIUEYTOOJDHL-IKGGRYGDSA-N 2 0 290.407 1.641 10 0 CDAERP Cc1cn2cc(NC(=O)C[C@@H]([NH3+])C3CC3)ccc2n1 ZINC000828382195 757551777 /nfs/dbraw/zinc/55/17/77/757551777.db2.gz QPSSKIOWHGWGJL-GFCCVEGCSA-N 2 0 258.325 1.709 10 0 CDAERP CC(=O)NCCCCC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000930602708 757582285 /nfs/dbraw/zinc/58/22/85/757582285.db2.gz XXLSSMJZLDXEPI-INIZCTEOSA-N 2 0 281.444 1.711 10 0 CDAERP C[NH+](C)C1(CNC(=O)C2CC([NH3+])C2)CCCCC1 ZINC000703482806 757669216 /nfs/dbraw/zinc/66/92/16/757669216.db2.gz MKKJZAKGAACGQE-UHFFFAOYSA-N 2 0 253.390 1.104 10 0 CDAERP C(C[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1)CN1CC[NH2+]CC1 ZINC000925695671 757672695 /nfs/dbraw/zinc/67/26/95/757672695.db2.gz XYXSPLWFYWPKMI-ARFHVFGLSA-N 2 0 281.444 1.077 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C[C@]1(C)CCC[NH2+]C1 ZINC000092633618 757774687 /nfs/dbraw/zinc/77/46/87/757774687.db2.gz MVPGLHKCJMSQRQ-HUUCEWRRSA-N 2 0 253.434 1.792 10 0 CDAERP CCCCCNC(=O)C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923450416 757844060 /nfs/dbraw/zinc/84/40/60/757844060.db2.gz HDUQIWQBURKWCK-AWEZNQCLSA-N 2 0 297.443 1.123 10 0 CDAERP [NH3+]CCCCCC(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000841848739 757885200 /nfs/dbraw/zinc/88/52/00/757885200.db2.gz RNQVXCIZVGAXPC-UHFFFAOYSA-N 2 0 275.396 1.944 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)CC1 ZINC000928077757 757890037 /nfs/dbraw/zinc/89/00/37/757890037.db2.gz IFGNJDUTTJUJJA-OLZOCXBDSA-N 2 0 297.468 1.024 10 0 CDAERP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CCO[C@H]2CCOC2)C1 ZINC000923391872 757920047 /nfs/dbraw/zinc/92/00/47/757920047.db2.gz GAERAKXHJAEFHA-UGUYLWEFSA-N 2 0 298.427 1.153 10 0 CDAERP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000261905756 758053604 /nfs/dbraw/zinc/05/36/04/758053604.db2.gz XGLLSFWOWPKFEZ-DGTMBMJNSA-N 2 0 265.401 1.103 10 0 CDAERP C[C@@H]1CCC[C@@](CNC(=O)C=C2CC[NH2+]CC2)([NH+](C)C)C1 ZINC000852861723 758063455 /nfs/dbraw/zinc/06/34/55/758063455.db2.gz HUOPHIHTUMISRA-RHSMWYFYSA-N 2 0 293.455 1.923 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CNC(=[NH2+])NCCC2CC2)C1 ZINC000864455043 758107766 /nfs/dbraw/zinc/10/77/66/758107766.db2.gz DPJPPOHXRGFAKK-ZDUSSCGKSA-N 2 0 252.406 1.631 10 0 CDAERP Cc1cc(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)nc(C)n1 ZINC000923451609 758142800 /nfs/dbraw/zinc/14/28/00/758142800.db2.gz MRQZTGKFKOWKEO-HNNXBMFYSA-N 2 0 290.411 1.423 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000925833504 758143059 /nfs/dbraw/zinc/14/30/59/758143059.db2.gz SNCFHHOGZBVCPH-LPEHRKFASA-N 2 0 254.296 1.528 10 0 CDAERP CC(=O)NCC1CCC([NH2+]C[C@H](C)C[NH+](C)C)CC1 ZINC000865577236 758177783 /nfs/dbraw/zinc/17/77/83/758177783.db2.gz GCSJKWIJTKZYRP-GRTSSRMGSA-N 2 0 269.433 1.469 10 0 CDAERP Cc1cc([C@@H]([NH3+])CC(=O)N(C)C2CC([NH3+])C2)cc(Cl)n1 ZINC000841852627 758203096 /nfs/dbraw/zinc/20/30/96/758203096.db2.gz NJKWBGGLSFEPAS-MCIGGMRASA-N 2 0 296.802 1.381 10 0 CDAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711362053 758204434 /nfs/dbraw/zinc/20/44/34/758204434.db2.gz SJXRBOJFXFKWGZ-STQMWFEESA-N 2 0 267.417 1.032 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000715383893 758210578 /nfs/dbraw/zinc/21/05/78/758210578.db2.gz LIXHAPOSBGSPPE-GDBMZVCRSA-N 2 0 281.444 1.566 10 0 CDAERP C[N@@H+]1CCN(C(=O)[C@]2(C)CCC[NH2+]2)CCC1(C)C ZINC000709547689 758277853 /nfs/dbraw/zinc/27/78/53/758277853.db2.gz HKRRTDJEXARZQD-AWEZNQCLSA-N 2 0 253.390 1.071 10 0 CDAERP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC000872254389 758307883 /nfs/dbraw/zinc/30/78/83/758307883.db2.gz BQHHGBPXQVBSGN-RWMBFGLXSA-N 2 0 293.392 1.115 10 0 CDAERP C[NH+]1CCC(C[NH2+][C@@H]2CCN(C3CCC3)C2=O)CC1 ZINC000708666397 758412981 /nfs/dbraw/zinc/41/29/81/758412981.db2.gz LAWYUQGTLMFAAR-CQSZACIVSA-N 2 0 265.401 1.071 10 0 CDAERP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@](C)(O)c3ccccc3)CC[C@@H]21 ZINC000879574111 758509504 /nfs/dbraw/zinc/50/95/04/758509504.db2.gz XNMZSCUZMBLFOJ-HYVNUMGLSA-N 2 0 274.408 1.920 10 0 CDAERP [NH3+]C1CCC(NC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000250812882 758621622 /nfs/dbraw/zinc/62/16/22/758621622.db2.gz DPOWHIAPEDJYTI-RUOPDXTDSA-N 2 0 279.428 1.683 10 0 CDAERP C[C@@H]([NH2+]CCCNc1ccccn1)C(C)(C)CO ZINC000925233476 758773156 /nfs/dbraw/zinc/77/31/56/758773156.db2.gz WBXQRMGXSPZOMP-GFCCVEGCSA-N 2 0 251.374 1.880 10 0 CDAERP Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](CC[NH3+])C2)c1 ZINC000125572774 758800566 /nfs/dbraw/zinc/80/05/66/758800566.db2.gz UVPFCGSIMWMUJG-ZDUSSCGKSA-N 2 0 261.369 1.604 10 0 CDAERP O[C@H](C[NH2+][C@H](C1CCC1)[C@H]1CCCO1)C[NH+]1CCCC1 ZINC000866240756 758803986 /nfs/dbraw/zinc/80/39/86/758803986.db2.gz MVYIEVVXDSEIRJ-BZUAXINKSA-N 2 0 282.428 1.380 10 0 CDAERP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925887677 758810837 /nfs/dbraw/zinc/81/08/37/758810837.db2.gz JRQIBCOVHTWCCP-SIXLDLHFSA-N 2 0 273.424 1.585 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH2+]CCOC2CCOCC2)[C@@H](C)C1 ZINC000927078230 758812968 /nfs/dbraw/zinc/81/29/68/758812968.db2.gz KCORTIFTZOWYFR-DZGCQCFKSA-N 2 0 270.417 1.502 10 0 CDAERP [NH3+]Cc1cccc(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000825547574 758826290 /nfs/dbraw/zinc/82/62/90/758826290.db2.gz NVGYAHBMOKBDKB-CVEARBPZSA-N 2 0 287.407 1.750 10 0 CDAERP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NCC[NH+]1CCCCC1 ZINC000713060656 758843004 /nfs/dbraw/zinc/84/30/04/758843004.db2.gz QYWBIXQCLDZCPX-CYBMUJFWSA-N 2 0 269.433 1.598 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@H](C)CC[NH+](C)C ZINC001631825732 1166305760 /nfs/dbraw/zinc/30/57/60/1166305760.db2.gz IZDITLWKISGEHP-CHWSQXEVSA-N 2 0 257.422 1.277 10 0 CDAERP CC[C@@H](C(=O)NC1CC(C[NH2+]CC2CC2)C1)[NH+](C)C ZINC001275310360 1166665411 /nfs/dbraw/zinc/66/54/11/1166665411.db2.gz HAACPBYTEFWORS-RUXDESIVSA-N 2 0 267.417 1.221 10 0 CDAERP C[NH+](C)C1CCN(C(=O)C[C@H]([NH3+])C(C)(C)C)CC1 ZINC000136812357 1167326810 /nfs/dbraw/zinc/32/68/10/1167326810.db2.gz AMZNJKNHGZWGPU-LBPRGKRZSA-N 2 0 255.406 1.303 10 0 CDAERP CCN(CC[NH2+]C[C@H]1CCO[C@@H](C)C1)C(=O)CC[NH+](C)C ZINC001568772251 1167542987 /nfs/dbraw/zinc/54/29/87/1167542987.db2.gz NPKAHCOVIYMIDW-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP C[N@H+](CCCF)CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001566453893 1167960342 /nfs/dbraw/zinc/96/03/42/1167960342.db2.gz JIIULFOPVGKWJC-AWEZNQCLSA-N 2 0 285.407 1.126 10 0 CDAERP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCOCC(C)C)C1)[NH+](C)C ZINC001566773472 1168036301 /nfs/dbraw/zinc/03/63/01/1168036301.db2.gz IQRXIMJIIOSNOF-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001565866825 1168192514 /nfs/dbraw/zinc/19/25/14/1168192514.db2.gz YPSCXOWACMTDDU-AAVRWANBSA-N 2 0 290.411 1.798 10 0 CDAERP C[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)CCC1CC1 ZINC001566489227 1168305901 /nfs/dbraw/zinc/30/59/01/1168305901.db2.gz UYBKJIUYKUHUJF-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP CCC[NH2+]CC[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001272566392 913454827 /nfs/dbraw/zinc/45/48/27/913454827.db2.gz WBCBBNYDPDHNLA-HUUCEWRRSA-N 2 0 281.444 1.566 10 0 CDAERP CCOCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001282389816 894140464 /nfs/dbraw/zinc/14/04/64/894140464.db2.gz ALRXLIJVUATTBW-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CC1=CCCCC1 ZINC001266438062 894887540 /nfs/dbraw/zinc/88/75/40/894887540.db2.gz XKJZFFFYGQRVDN-MRXNPFEDSA-N 2 0 293.455 1.877 10 0 CDAERP CC(C)C[NH2+]CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001567507569 1168819317 /nfs/dbraw/zinc/81/93/17/1168819317.db2.gz GSZGVMBPHUKFEC-UHFFFAOYSA-N 2 0 255.406 1.175 10 0 CDAERP CC(C)CC[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001567550078 1168846423 /nfs/dbraw/zinc/84/64/23/1168846423.db2.gz YTRWETLTMPUURC-GJZGRUSLSA-N 2 0 283.460 1.811 10 0 CDAERP CCCC[NH2+][C@H](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001267144004 896911564 /nfs/dbraw/zinc/91/15/64/896911564.db2.gz REPQEAGVOHIPJI-CYBMUJFWSA-N 2 0 269.433 1.613 10 0 CDAERP CCCC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001267281069 897457072 /nfs/dbraw/zinc/45/70/72/897457072.db2.gz FWFCXVPZFZKSSM-AWEZNQCLSA-N 2 0 267.417 1.463 10 0 CDAERP CCCCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001481083053 898766125 /nfs/dbraw/zinc/76/61/25/898766125.db2.gz HWROHZRMAXZYLL-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP CCC[N@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)CC1CC1 ZINC001481136818 898965100 /nfs/dbraw/zinc/96/51/00/898965100.db2.gz QPUFJPQGWLICRN-INIZCTEOSA-N 2 0 293.455 1.566 10 0 CDAERP CCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001279111874 899086474 /nfs/dbraw/zinc/08/64/74/899086474.db2.gz FJYSEUFWPOZRJM-KGLIPLIRSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)OCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001267738083 899469219 /nfs/dbraw/zinc/46/92/19/899469219.db2.gz PMRGVUYYKZROBK-CABCVRRESA-N 2 0 297.443 1.086 10 0 CDAERP CN(CC[NH2+]Cc1cccc(Cl)n1)C(=O)CC[NH+](C)C ZINC001481276713 899910817 /nfs/dbraw/zinc/91/08/17/899910817.db2.gz DXRQVAWQYFBMID-UHFFFAOYSA-N 2 0 298.818 1.235 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001267971185 900123415 /nfs/dbraw/zinc/12/34/15/900123415.db2.gz YZGWSJUDYUKKBY-CYBMUJFWSA-N 2 0 265.401 1.073 10 0 CDAERP C[N@H+](CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CCCF)C1CCC1 ZINC001268281168 901735997 /nfs/dbraw/zinc/73/59/97/901735997.db2.gz UZYHBFFIHLGQHP-ZFWWWQNUSA-N 2 0 299.434 1.705 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCC(C)C)C1 ZINC001481695534 901821827 /nfs/dbraw/zinc/82/18/27/901821827.db2.gz URRBYVZNZVDEGB-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@H](CC[NH2+]Cc1ccon1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268391949 901983536 /nfs/dbraw/zinc/98/35/36/901983536.db2.gz FGGSFHODVGVTOZ-OCCSQVGLSA-N 2 0 294.399 1.143 10 0 CDAERP CC[NH2+]C[C@](C)(NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001481940563 902379768 /nfs/dbraw/zinc/37/97/68/902379768.db2.gz WYJIJEOGSAFGOR-XEZPLFJOSA-N 2 0 281.444 1.611 10 0 CDAERP CCN(CC[NH2+]C/C=C/Cl)C(=O)C[NH+]1CCCC1 ZINC001268497449 902389564 /nfs/dbraw/zinc/38/95/64/902389564.db2.gz AJCUENSQTDRKOL-AATRIKPKSA-N 2 0 273.808 1.273 10 0 CDAERP C[C@H](F)CC[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001268520945 902500108 /nfs/dbraw/zinc/50/01/08/902500108.db2.gz DXGKIMZLQJPIQF-RSNNXLNZSA-N 2 0 271.380 1.091 10 0 CDAERP CC(C)[NH2+]C/C=C/CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001268630422 902844986 /nfs/dbraw/zinc/84/49/86/902844986.db2.gz KPILRHPZMOJVQW-NFAHFFEMSA-N 2 0 281.444 1.777 10 0 CDAERP CN(CCC[NH2+]C/C=C\Cl)C(=O)C[N@H+](C)C1CCC1 ZINC001268797125 903139599 /nfs/dbraw/zinc/13/95/99/903139599.db2.gz FWQJTGAXBJDBGE-YWEYNIOJSA-N 2 0 287.835 1.661 10 0 CDAERP CCCCCC[NH+]1CC(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001268879161 903206496 /nfs/dbraw/zinc/20/64/96/903206496.db2.gz MNMQIYSIJVEWIG-HNNXBMFYSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N2CC[C@H](C[NH+](C)C)C2)C1 ZINC001362639683 903918893 /nfs/dbraw/zinc/91/88/93/903918893.db2.gz WCISCTZCBKJATN-CABCVRRESA-N 2 0 281.444 1.517 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001270068532 904323179 /nfs/dbraw/zinc/32/31/79/904323179.db2.gz ZOSMEYZWTVSUOV-AWEZNQCLSA-N 2 0 281.444 1.851 10 0 CDAERP CC(C)[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001482282625 904562292 /nfs/dbraw/zinc/56/22/92/904562292.db2.gz BMRHZIKLEBLNKE-GXTWGEPZSA-N 2 0 267.417 1.173 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH2+]CC1=CCCCC1 ZINC001270372083 904571903 /nfs/dbraw/zinc/57/19/03/904571903.db2.gz NTECCIRYJLBTBV-HOCLYGCPSA-N 2 0 293.455 1.923 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001270437088 904636406 /nfs/dbraw/zinc/63/64/06/904636406.db2.gz VWHUUULYSNFTCQ-HUUCEWRRSA-N 2 0 281.444 1.779 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]C/C=C\Cl)[NH+](C)C ZINC001482295256 904705231 /nfs/dbraw/zinc/70/52/31/904705231.db2.gz VYMUDOHIIIOLQO-YHQHFJRFSA-N 2 0 289.851 1.762 10 0 CDAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]CCC(C)(C)C ZINC001270569868 904746893 /nfs/dbraw/zinc/74/68/93/904746893.db2.gz ZZXXGVRJVFGLAC-CQSZACIVSA-N 2 0 295.471 1.860 10 0 CDAERP CCCC[NH2+]C[C@]1(C)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001270846298 905137004 /nfs/dbraw/zinc/13/70/04/905137004.db2.gz DBVNGXYUTGZARL-INIZCTEOSA-N 2 0 281.444 1.711 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]CCCF ZINC001482455589 905635321 /nfs/dbraw/zinc/63/53/21/905635321.db2.gz KAQDWWSSKXPKQL-HUUCEWRRSA-N 2 0 299.434 1.801 10 0 CDAERP C[NH+]1CCC(C(=O)N2CCCC[C@@H]2CC[NH2+]CCF)CC1 ZINC001271575285 906526758 /nfs/dbraw/zinc/52/67/58/906526758.db2.gz DEIZGVLBFZYWCN-OAHLLOKOSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CC1CC1 ZINC001271892935 906942898 /nfs/dbraw/zinc/94/28/98/906942898.db2.gz MQKUEMFPNODDKE-CYBMUJFWSA-N 2 0 255.406 1.079 10 0 CDAERP CCOCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001272985693 921304758 /nfs/dbraw/zinc/30/47/58/921304758.db2.gz RIVFHUVMQLVBIF-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CC/C=C\CC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001482619550 908062923 /nfs/dbraw/zinc/06/29/23/908062923.db2.gz TUYVJYCKPQHLGL-IDTUSYRASA-N 2 0 281.444 1.827 10 0 CDAERP CC(C)[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001482633645 908090472 /nfs/dbraw/zinc/09/04/72/908090472.db2.gz JIIKDPMFFBYKEY-CABCVRRESA-N 2 0 281.444 1.802 10 0 CDAERP CC(C)(C(=O)NC/C=C/C[NH2+]C/C=C/Cl)[NH+]1CCCC1 ZINC001483042129 908807455 /nfs/dbraw/zinc/80/74/55/908807455.db2.gz DYSLHBZXUGASLC-DYWGDJMRSA-N 2 0 299.846 1.875 10 0 CDAERP CC[C@@H](C(=O)NC1CC(C[NH2+]CC2CCC2)C1)[NH+](C)C ZINC001409306664 909743981 /nfs/dbraw/zinc/74/39/81/909743981.db2.gz NWDTWQDGTKFUHT-NRXISQOPSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)[NH2+]C[C@@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001483136860 909782980 /nfs/dbraw/zinc/78/29/80/909782980.db2.gz FXAWFBHJGMBVOF-CHWSQXEVSA-N 2 0 255.406 1.364 10 0 CDAERP CC[NH2+][C@@H](CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001409752583 910686276 /nfs/dbraw/zinc/68/62/76/910686276.db2.gz FFXKHOZVVBGMSV-HOTGVXAUSA-N 2 0 295.471 1.811 10 0 CDAERP CCCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001507077152 910719593 /nfs/dbraw/zinc/71/95/93/910719593.db2.gz BWKQEXAOOQYSEB-SOUVJXGZSA-N 2 0 283.460 1.953 10 0 CDAERP CCCCCC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001483791535 915069380 /nfs/dbraw/zinc/06/93/80/915069380.db2.gz XDJKCDPNSKPPKN-AWEZNQCLSA-N 2 0 281.444 1.757 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](CC[NH2+]CC3CC3)C2)C1 ZINC001484549695 915876882 /nfs/dbraw/zinc/87/68/82/915876882.db2.gz KZBJEENUTRWPPH-CABCVRRESA-N 2 0 279.428 1.176 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC2(C1)CC[NH+](CCCF)CC2 ZINC001484582447 915902128 /nfs/dbraw/zinc/90/21/28/915902128.db2.gz XFQRZZXLDDAKCB-UHFFFAOYSA-N 2 0 299.434 1.612 10 0 CDAERP CCOCC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001484728225 916088298 /nfs/dbraw/zinc/08/82/98/916088298.db2.gz LASCDULYPSIFDV-HNNXBMFYSA-N 2 0 297.443 1.089 10 0 CDAERP CN(CCC[NH2+]CCC(F)(F)F)C(=O)CC[NH+](C)C ZINC001276208515 932642291 /nfs/dbraw/zinc/64/22/91/932642291.db2.gz GMEHPSNIRZBXAN-UHFFFAOYSA-N 2 0 283.338 1.329 10 0 CDAERP C[NH+](C)CC1(C(=O)NC2CC(C[NH2+]CCCF)C2)CC1 ZINC001485101146 916496918 /nfs/dbraw/zinc/49/69/18/916496918.db2.gz NRXRUGRCHDFLLU-UHFFFAOYSA-N 2 0 285.407 1.172 10 0 CDAERP C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH+](C)CC1CC1 ZINC001485312886 916795666 /nfs/dbraw/zinc/79/56/66/916795666.db2.gz JKHPXTCRSBNJPI-ZFWWWQNUSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[C@H](C(=O)NC[C@@H](C)[N@H+](C)CC1CC1)[NH+]1CCCC1 ZINC001485388664 916942589 /nfs/dbraw/zinc/94/25/89/916942589.db2.gz OOEPAQRIMFXMGN-GDBMZVCRSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1C[NH+](CC2CCC2)C1 ZINC001485525381 917063709 /nfs/dbraw/zinc/06/37/09/917063709.db2.gz FVKGKEYJXUTYFM-UONOGXRCSA-N 2 0 293.455 1.565 10 0 CDAERP C[NH+](C)C1(C)CCC(NC(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000715516416 919314777 /nfs/dbraw/zinc/31/47/77/919314777.db2.gz CUBGHMQZXCZPNR-LEFWFPFXSA-N 2 0 253.390 1.103 10 0 CDAERP CC(C)=CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001272863765 919922889 /nfs/dbraw/zinc/92/28/89/919922889.db2.gz BGCQRNWRYGFCQY-HUUCEWRRSA-N 2 0 281.444 1.921 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]C(C)C ZINC001485884126 920546045 /nfs/dbraw/zinc/54/60/45/920546045.db2.gz ZUCFHTLESBVHBS-UONOGXRCSA-N 2 0 269.433 1.706 10 0 CDAERP CC(C)[NH2+][C@H](C)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001485890681 920548504 /nfs/dbraw/zinc/54/85/04/920548504.db2.gz BLLIMFJEFKQDRX-CQSZACIVSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CCCF)[NH+](C)C ZINC001485946374 920609662 /nfs/dbraw/zinc/60/96/62/920609662.db2.gz CMSMXWXTYLOMRJ-OLZOCXBDSA-N 2 0 275.412 1.369 10 0 CDAERP C[C@H](NC(=O)C[N@H+](C)C1CCC1)C1CC[NH+](CCF)CC1 ZINC001486446412 921017756 /nfs/dbraw/zinc/01/77/56/921017756.db2.gz JWKYERSRMBGEQO-ZDUSSCGKSA-N 2 0 299.434 1.657 10 0 CDAERP C[C@@H](C[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1)C(C)(C)C ZINC000923428106 923822307 /nfs/dbraw/zinc/82/23/07/923822307.db2.gz WFQCCARVSQMCGL-QWHCGFSZSA-N 2 0 254.418 1.979 10 0 CDAERP CC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001273710404 924780361 /nfs/dbraw/zinc/78/03/61/924780361.db2.gz UIBLNZFCYWYWED-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N(C)[C@@H](C[NH2+]CC2CC2)C2CC2)C1 ZINC001410308964 925511711 /nfs/dbraw/zinc/51/17/11/925511711.db2.gz KOVIGLLGUPOKAS-BBRMVZONSA-N 2 0 293.455 1.565 10 0 CDAERP CC[N@@H+]1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH+](C)C[C@@H]23)[C@@H](C)C1 ZINC001414731638 925838137 /nfs/dbraw/zinc/83/81/37/925838137.db2.gz XAWJXEABHIFQQB-GBJTYRQASA-N 2 0 294.443 1.062 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]C/C=C\Cl ZINC001410521185 925869796 /nfs/dbraw/zinc/86/97/96/925869796.db2.gz USNPZRHQDJJWSG-DGMVEKRQSA-N 2 0 275.824 1.516 10 0 CDAERP C[C@H](O)CCC[NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001491545253 937061672 /nfs/dbraw/zinc/06/16/72/937061672.db2.gz AYMSTMHQBJHECE-KBPBESRZSA-N 2 0 299.459 1.116 10 0 CDAERP CC1CC(C[N@@H+]2CC[C@@H]2CN(C)C(=O)C[NH+]2CCCC2)C1 ZINC001488691112 926649557 /nfs/dbraw/zinc/64/95/57/926649557.db2.gz HXDFWWYBQZZAKJ-UYSNPLJNSA-N 2 0 293.455 1.661 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001488850131 926721073 /nfs/dbraw/zinc/72/10/73/926721073.db2.gz WONBOWCWQXXQFR-KKUMJFAQSA-N 2 0 295.471 1.859 10 0 CDAERP C[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C[NH2+]CC2CC2)C1 ZINC001489044043 926775499 /nfs/dbraw/zinc/77/54/99/926775499.db2.gz QLXWVVCVEGWFDU-HIFRSBDPSA-N 2 0 281.444 1.565 10 0 CDAERP C=C/C=C\CC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC001143146133 937125232 /nfs/dbraw/zinc/12/52/32/937125232.db2.gz YOJDWMPXVRMYBM-XITLMJRVSA-N 2 0 293.455 1.993 10 0 CDAERP CC[C@H](C(=O)NCCC[N@H+](C)CCC(F)(F)F)[NH+](C)C ZINC001490214317 927013600 /nfs/dbraw/zinc/01/36/00/927013600.db2.gz RYHXQTRJULWAHV-LLVKDONJSA-N 2 0 297.365 1.717 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001438243092 927014151 /nfs/dbraw/zinc/01/41/51/927014151.db2.gz RIZDWCGZRUOBGM-UONOGXRCSA-N 2 0 287.423 1.609 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001490361464 927157436 /nfs/dbraw/zinc/15/74/36/927157436.db2.gz NVMCTIWKTSVBHO-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@@H]21 ZINC001568516414 1169340653 /nfs/dbraw/zinc/34/06/53/1169340653.db2.gz WZLOPCXMZQQBFL-KGLIPLIRSA-N 2 0 267.417 1.269 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)C1([NH+](C)C)CCCC1 ZINC001136652398 931229040 /nfs/dbraw/zinc/22/90/40/931229040.db2.gz QPMWKBVXIDEFSI-ZDUSSCGKSA-N 2 0 269.433 1.707 10 0 CDAERP CCCC[NH2+]CC1CC(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001275278395 931722609 /nfs/dbraw/zinc/72/26/09/931722609.db2.gz BEPXTRXOHNIMJM-UHFFFAOYSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]CC1CCCC1 ZINC001275479858 931820996 /nfs/dbraw/zinc/82/09/96/931820996.db2.gz COKHQNOOBPLOHU-STQMWFEESA-N 2 0 269.433 1.611 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001443811935 931874608 /nfs/dbraw/zinc/87/46/08/931874608.db2.gz JPAGHVSHUXKCML-ZFWWWQNUSA-N 2 0 299.434 1.752 10 0 CDAERP CC[C@H](C)C[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001275720739 931979426 /nfs/dbraw/zinc/97/94/26/931979426.db2.gz MGLOELPYYCCMRO-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@H]1[C@H](NC(=O)CC2(C[NH3+])CCCCC2)CC[N@@H+]1C ZINC000719394780 932034050 /nfs/dbraw/zinc/03/40/50/932034050.db2.gz WZTIFKANRJUXPH-QWHCGFSZSA-N 2 0 267.417 1.495 10 0 CDAERP CC[N@@H+]1C[C@H](C)N(C(=O)CC[NH+]2CC[C@@H](F)C2)C[C@H]1C ZINC001411972369 932188915 /nfs/dbraw/zinc/18/89/15/932188915.db2.gz DVXITGGPEKFVEO-HZSPNIEDSA-N 2 0 285.407 1.361 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)CC[N@@H+]2CC[C@H](F)C2)CC1 ZINC001412590303 932537221 /nfs/dbraw/zinc/53/72/21/932537221.db2.gz PGUONMJRXABWIT-HNNXBMFYSA-N 2 0 299.434 1.659 10 0 CDAERP CN(C)c1ncccc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001118387406 937622650 /nfs/dbraw/zinc/62/26/50/937622650.db2.gz QIRLONYOLFXRGY-XBXGTLAGSA-N 2 0 262.401 1.577 10 0 CDAERP Cn1ncc(CCC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)n1 ZINC000925677838 932926618 /nfs/dbraw/zinc/92/66/18/932926618.db2.gz QUDPYVHJNZQYJB-HZPDHXFCSA-N 2 0 291.443 1.506 10 0 CDAERP [NH3+]C[C@@H]1CCN(C[C@H]2CCC[NH2+]C2)c2ccccc21 ZINC001119066620 937693161 /nfs/dbraw/zinc/69/31/61/937693161.db2.gz NSWWEUIGYLTDPT-KBPBESRZSA-N 2 0 259.397 1.939 10 0 CDAERP C[C@@H](CN1CCOCC1)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001412945942 935111018 /nfs/dbraw/zinc/11/10/18/935111018.db2.gz ZJVGVVCBEKUYSB-IRXDYDNUSA-N 2 0 295.471 1.372 10 0 CDAERP C(C[NH+]1CCCCC1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC001413065575 935775780 /nfs/dbraw/zinc/77/57/80/935775780.db2.gz XYNQDCCOFNRLCZ-UHFFFAOYSA-N 2 0 295.471 1.705 10 0 CDAERP C[NH+](C)[C@@H]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1(C)C ZINC001413196233 935942479 /nfs/dbraw/zinc/94/24/79/935942479.db2.gz XNPXNLFFIVYYMC-CHWSQXEVSA-N 2 0 283.460 1.809 10 0 CDAERP CCO[C@@H]1C[N@H+](CC[C@@H]2CC2(Cl)Cl)C[C@H]1C[NH3+] ZINC000405197875 940974987 /nfs/dbraw/zinc/97/49/87/940974987.db2.gz CXCKTPSOWCXWIZ-GMTAPVOTSA-N 2 0 281.227 1.866 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC001362052619 970820901 /nfs/dbraw/zinc/82/09/01/970820901.db2.gz CTBJOOFIMCJARY-JSGCOSHPSA-N 2 0 287.473 1.128 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC001362052621 970822388 /nfs/dbraw/zinc/82/23/88/970822388.db2.gz CTBJOOFIMCJARY-TZMCWYRMSA-N 2 0 287.473 1.128 10 0 CDAERP CC(C)[NH2+]CCC[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001277210555 942178175 /nfs/dbraw/zinc/17/81/75/942178175.db2.gz OIUWQGFYLILSKG-CYBMUJFWSA-N 2 0 269.433 1.754 10 0 CDAERP CC(C)[N@H+]1CC=C(CNC(=O)Cc2ncc[nH]2)CC1 ZINC001279661366 942400439 /nfs/dbraw/zinc/40/04/39/942400439.db2.gz OLASOIBNLKRGGY-UHFFFAOYSA-N 2 0 262.357 1.109 10 0 CDAERP C[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@@H]1[NH2+]CCCCCF ZINC001281450747 942476888 /nfs/dbraw/zinc/47/68/88/942476888.db2.gz OQVYTFLRGNKUKE-OCCSQVGLSA-N 2 0 296.390 1.529 10 0 CDAERP CCOCC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001280822888 942494148 /nfs/dbraw/zinc/49/41/48/942494148.db2.gz ORUIIZCJUBDWTI-HNNXBMFYSA-N 2 0 299.459 1.288 10 0 CDAERP CCCCC[NH2+]CC1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001282073863 942654346 /nfs/dbraw/zinc/65/43/46/942654346.db2.gz JYLXVLCAZKEJCR-SLTAFYQDSA-N 2 0 281.444 1.613 10 0 CDAERP CCC[NH2+][C@H](C)[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001282143256 942668134 /nfs/dbraw/zinc/66/81/34/942668134.db2.gz SEJIBBXMYBSUDY-VXGBXAGGSA-N 2 0 255.406 1.364 10 0 CDAERP C[C@@H]([NH2+]CCCF)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001282186336 942675055 /nfs/dbraw/zinc/67/50/55/942675055.db2.gz UGCNMEHKSJJBFT-NEPJUHHUSA-N 2 0 273.396 1.171 10 0 CDAERP CC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)[C@H]1C ZINC001283940161 943032502 /nfs/dbraw/zinc/03/25/02/943032502.db2.gz PGFSEUJXDBOWOO-LSDHHAIUSA-N 2 0 281.444 1.851 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](C3CC3)C2)C1 ZINC001362162681 970961390 /nfs/dbraw/zinc/96/13/90/970961390.db2.gz ZTZVOIFURQRDCR-KBPBESRZSA-N 2 0 279.428 1.460 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)C1CC([NH2+]CCCF)C1)[NH+](C)C ZINC001284773313 943257781 /nfs/dbraw/zinc/25/77/81/943257781.db2.gz CHFBVNGOHZAGNC-RUXDESIVSA-N 2 0 287.423 1.511 10 0 CDAERP CN(C)Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)o1 ZINC001362194013 971000000 /nfs/dbraw/zinc/00/00/00/971000000.db2.gz SAOOYHXORSTPPI-OLZOCXBDSA-N 2 0 291.395 1.650 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC1CC(C)(C)C1 ZINC001568826451 1169501350 /nfs/dbraw/zinc/50/13/50/1169501350.db2.gz BVQJAYLYGPVHPL-MBVDDHJVSA-N 2 0 293.455 1.779 10 0 CDAERP C[C@H](CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC1CC1 ZINC001277863914 943885696 /nfs/dbraw/zinc/88/56/96/943885696.db2.gz SPYKGGZGSWTGHI-OCCSQVGLSA-N 2 0 267.417 1.317 10 0 CDAERP COCCCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001277865116 943890355 /nfs/dbraw/zinc/89/03/55/943890355.db2.gz XOZJWHFJVYOAQQ-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001263879490 944018001 /nfs/dbraw/zinc/01/80/01/944018001.db2.gz YNVKGDVPMAPODV-MGPQQGTHSA-N 2 0 267.417 1.223 10 0 CDAERP CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001264363563 944111944 /nfs/dbraw/zinc/11/19/44/944111944.db2.gz RMMVDVUUJQNLTL-CHWSQXEVSA-N 2 0 255.406 1.269 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC=C(C)C)C1 ZINC001265312276 944339756 /nfs/dbraw/zinc/33/97/56/944339756.db2.gz KTXNPOWUHIKNQD-HNNXBMFYSA-N 2 0 281.444 1.875 10 0 CDAERP CC/C=C\CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001265350390 944354039 /nfs/dbraw/zinc/35/40/39/944354039.db2.gz PBGFKRBSZOZTQL-MSNYOWOLSA-N 2 0 293.455 1.921 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001265476516 944403575 /nfs/dbraw/zinc/40/35/75/944403575.db2.gz HAKVTMSMXCSRCT-KKUMJFAQSA-N 2 0 281.444 1.896 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001265595138 944441104 /nfs/dbraw/zinc/44/11/04/944441104.db2.gz SWEJQZQVJLDJJW-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N2CCCC[C@H]2C[NH2+]CCF)C1 ZINC001265687567 944469561 /nfs/dbraw/zinc/46/95/61/944469561.db2.gz CFHYZIJRSBSACN-KGLIPLIRSA-N 2 0 285.407 1.268 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCCC[NH+](C)C[C@H]1CC[C@@H](C)O1 ZINC001265978558 944611662 /nfs/dbraw/zinc/61/16/62/944611662.db2.gz QKOKTGMZSQOJCT-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP C[N@H+](CCF)CCCNC(=O)CC[NH+]1CCCCC1 ZINC001265978803 944611864 /nfs/dbraw/zinc/61/18/64/944611864.db2.gz YCNQJEQKXJCCCG-UHFFFAOYSA-N 2 0 273.396 1.270 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@H]([NH2+]CCCF)C1 ZINC001266076415 944666455 /nfs/dbraw/zinc/66/64/55/944666455.db2.gz ZHQOPKJXSAARQM-KBPBESRZSA-N 2 0 287.423 1.705 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)CC1CC1 ZINC001266109109 944687481 /nfs/dbraw/zinc/68/74/81/944687481.db2.gz PTWQNJBAUIUFKA-CQSZACIVSA-N 2 0 267.417 1.176 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCCC(=O)N(C)C)[C@H](C)C1 ZINC001261544052 946166943 /nfs/dbraw/zinc/16/69/43/946166943.db2.gz FQCQIQYWASBEPJ-KGLIPLIRSA-N 2 0 269.433 1.517 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC001362381906 971213387 /nfs/dbraw/zinc/21/33/87/971213387.db2.gz CTIIKNRTBVAQAG-ZBFHGGJFSA-N 2 0 295.471 1.953 10 0 CDAERP COCCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001278422406 947872785 /nfs/dbraw/zinc/87/27/85/947872785.db2.gz CJLBKFAJDLTLHR-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CCCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001568993557 1169582748 /nfs/dbraw/zinc/58/27/48/1169582748.db2.gz IQWPKFLQTQWULN-HZSPNIEDSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001569036392 1169606994 /nfs/dbraw/zinc/60/69/94/1169606994.db2.gz LTWSFGIHQARUKZ-LSDHHAIUSA-N 2 0 297.443 1.015 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001480163669 971609646 /nfs/dbraw/zinc/60/96/46/971609646.db2.gz ICRMXYCUZCHQSB-KKUMJFAQSA-N 2 0 299.434 1.703 10 0 CDAERP CCC[NH2+]C[C@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001569060997 1169624831 /nfs/dbraw/zinc/62/48/31/1169624831.db2.gz QVVNIMNFUDGMPI-NSHDSACASA-N 2 0 283.441 1.928 10 0 CDAERP CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001278578283 950248883 /nfs/dbraw/zinc/24/88/83/950248883.db2.gz XBNVSWHHYDNUID-IRXDYDNUSA-N 2 0 293.455 1.711 10 0 CDAERP CCOCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001480331484 971673584 /nfs/dbraw/zinc/67/35/84/971673584.db2.gz MILRZEGAHSXQHL-OAHLLOKOSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCc1cccs1 ZINC001480436989 971726563 /nfs/dbraw/zinc/72/65/63/971726563.db2.gz AXYNIIMYZHDNQB-OCCSQVGLSA-N 2 0 295.452 1.479 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001480645884 971823076 /nfs/dbraw/zinc/82/30/76/971823076.db2.gz MKLOQQJWKLBSBY-OWCLPIDISA-N 2 0 293.455 1.731 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001480660016 971827761 /nfs/dbraw/zinc/82/77/61/971827761.db2.gz BZTPYWIHBUDKJL-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccns1 ZINC001480753990 971863251 /nfs/dbraw/zinc/86/32/51/971863251.db2.gz OSHMTPPKHXGXFP-YPMHNXCESA-N 2 0 296.440 1.222 10 0 CDAERP CC(C)CC[NH2+]CC[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001326429418 954376875 /nfs/dbraw/zinc/37/68/75/954376875.db2.gz DLHIQMHSSYKFJD-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@H](CN1CCOCC1)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC001364383781 954533592 /nfs/dbraw/zinc/53/35/92/954533592.db2.gz KNNAGINGIVSOSB-INIZCTEOSA-N 2 0 297.487 1.618 10 0 CDAERP C[C@@H](CCNC(=O)CC[NH+](C)C)[NH2+]C/C=C\Cl ZINC001328400103 955285683 /nfs/dbraw/zinc/28/56/83/955285683.db2.gz QVOCTPIYKDCLES-IBHLPDHGSA-N 2 0 261.797 1.175 10 0 CDAERP COC[C@H](C)[NH+]1CCC(CCNC(=O)CC[NH+](C)C)CC1 ZINC001421637904 955443585 /nfs/dbraw/zinc/44/35/85/955443585.db2.gz MBGNRDCCIVTBBT-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)=CC[NH2+]CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001493681636 972098607 /nfs/dbraw/zinc/09/86/07/972098607.db2.gz NLOOPOYZGTYFIQ-UHFFFAOYSA-N 2 0 267.417 1.342 10 0 CDAERP CC[NH2+]CCN(C)C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001493759893 972111265 /nfs/dbraw/zinc/11/12/65/972111265.db2.gz OTBGXAGNUJFWKT-OAHLLOKOSA-N 2 0 277.412 1.747 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001421915458 955652790 /nfs/dbraw/zinc/65/27/90/955652790.db2.gz VYDBPJKUPNJQLT-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CC)C1 ZINC001365182894 955688280 /nfs/dbraw/zinc/68/82/80/955688280.db2.gz KKAMVVDBGKQJLK-GJZGRUSLSA-N 2 0 281.444 1.804 10 0 CDAERP CC[C@@H](C)C[N@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001422242765 955883774 /nfs/dbraw/zinc/88/37/74/955883774.db2.gz FTSAWYQLJPMRMM-CABCVRRESA-N 2 0 283.460 1.907 10 0 CDAERP CC[C@@H](C)C[NH2+]CC1CC(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001422270423 955907144 /nfs/dbraw/zinc/90/71/44/955907144.db2.gz HQBNWASOTCZYTA-VQCLRJIVSA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)C2([NH3+])CCC2)C1 ZINC001329652275 956044933 /nfs/dbraw/zinc/04/49/33/956044933.db2.gz VQDZAQSZGBMLFB-CYBMUJFWSA-N 2 0 253.390 1.091 10 0 CDAERP C[N@@H+]1C[C@]23C[NH+]([C@@H]4CCCNC4=O)C[C@@]2(C1)CCCC3 ZINC001422501029 956099350 /nfs/dbraw/zinc/09/93/50/956099350.db2.gz MYAFNTZTFMNNKN-BMFZPTHFSA-N 2 0 277.412 1.073 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](C[NH2+]CCCF)C2)C1 ZINC001317339214 956189079 /nfs/dbraw/zinc/18/90/79/956189079.db2.gz RFTSTEGFEWQOKA-ZIAGYGMSSA-N 2 0 285.407 1.126 10 0 CDAERP CC[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C ZINC001365729761 956319865 /nfs/dbraw/zinc/31/98/65/956319865.db2.gz MJXDEJZHNWYLBH-UONOGXRCSA-N 2 0 279.428 1.176 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH+](C)CC2CCC2)CC[N@@H+]1C ZINC001422809450 956377501 /nfs/dbraw/zinc/37/75/01/956377501.db2.gz KIKAORPGXOVZPU-VNQPRFMTSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1C/C=C/Cl ZINC001365896912 956421746 /nfs/dbraw/zinc/42/17/46/956421746.db2.gz ZKGFIPLQQQOINU-FMQXYTONSA-N 2 0 287.835 1.660 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001365904822 956436115 /nfs/dbraw/zinc/43/61/15/956436115.db2.gz IESQARRWOKQPEL-HNNXBMFYSA-N 2 0 293.455 1.805 10 0 CDAERP O=C(CCC[NH+]1CCCC1)N[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001366005365 956503995 /nfs/dbraw/zinc/50/39/95/956503995.db2.gz RXAZBLOGMZUWIU-INIZCTEOSA-N 2 0 293.455 1.853 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCF)[C@@H]2C1 ZINC001423349637 956734147 /nfs/dbraw/zinc/73/41/47/956734147.db2.gz ASYGQOLFLQBXCS-RRFJBIMHSA-N 2 0 299.434 1.513 10 0 CDAERP CC(C)[NH2+]CCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001569257811 1169736619 /nfs/dbraw/zinc/73/66/19/1169736619.db2.gz MRWZCBUCZCHDQF-CYBMUJFWSA-N 2 0 255.406 1.175 10 0 CDAERP CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001423541147 956837684 /nfs/dbraw/zinc/83/76/84/956837684.db2.gz RYANJOKPDKQSBU-HUUCEWRRSA-N 2 0 299.459 1.020 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@@](C)(C[NH2+]CC)C2)C1 ZINC001423624786 956908403 /nfs/dbraw/zinc/90/84/03/956908403.db2.gz DYDQDQPSYOREFV-RDJZCZTQSA-N 2 0 295.471 1.957 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@](C)(C[NH2+]CC)C2)C1 ZINC001423624781 956910656 /nfs/dbraw/zinc/91/06/56/956910656.db2.gz DYDQDQPSYOREFV-NVXWUHKLSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001423632474 956913197 /nfs/dbraw/zinc/91/31/97/956913197.db2.gz QFYLCIUPYPLXPU-ZOBUZTSGSA-N 2 0 295.471 1.953 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001366689916 957118387 /nfs/dbraw/zinc/11/83/87/957118387.db2.gz PBJABOLVKBPJAX-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1CC[N@H+](CC)C1 ZINC001366693180 957118664 /nfs/dbraw/zinc/11/86/64/957118664.db2.gz YGLVHCVRJCVZRE-STQMWFEESA-N 2 0 273.396 1.124 10 0 CDAERP C[C@@H](F)CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001424219939 957158784 /nfs/dbraw/zinc/15/87/84/957158784.db2.gz UWYONDLPBGBQGK-CHWSQXEVSA-N 2 0 285.407 1.315 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC1CC1 ZINC001317179671 957326414 /nfs/dbraw/zinc/32/64/14/957326414.db2.gz WTNJNRQRPXDYAS-AWEZNQCLSA-N 2 0 267.417 1.319 10 0 CDAERP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001331912738 957330659 /nfs/dbraw/zinc/33/06/59/957330659.db2.gz ZOYYHBIPETUCAG-CHWSQXEVSA-N 2 0 265.401 1.071 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001367061821 957378187 /nfs/dbraw/zinc/37/81/87/957378187.db2.gz WJPXTKOMSARDBH-GJZGRUSLSA-N 2 0 283.460 1.905 10 0 CDAERP CCCCCC[NH2+][C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001317284510 957402906 /nfs/dbraw/zinc/40/29/06/957402906.db2.gz VWWSPKYWZSSUGB-AWEZNQCLSA-N 2 0 281.444 1.757 10 0 CDAERP CCC[N@@H+]1C[C@@]2(C)CN(C(=O)CCC[NH+](C)C)C[C@@]2(C)C1 ZINC001425379875 957523601 /nfs/dbraw/zinc/52/36/01/957523601.db2.gz QBNXAVLLMQSGJH-CALCHBBNSA-N 2 0 295.471 1.909 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2[C@H]3C[NH+](CC4CC4)C[C@H]32)C1 ZINC001425383300 957524521 /nfs/dbraw/zinc/52/45/21/957524521.db2.gz SQJZQYNQBUTXPB-FPCVCCKLSA-N 2 0 291.439 1.032 10 0 CDAERP CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)CC)C[C@@H]2C1 ZINC001425385178 957524870 /nfs/dbraw/zinc/52/48/70/957524870.db2.gz UQTQMMLADXLEIN-XHSDSOJGSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cnc(C)s1 ZINC001367128135 957694451 /nfs/dbraw/zinc/69/44/51/957694451.db2.gz NQQCBSQCIJVPQH-GFCCVEGCSA-N 2 0 298.456 1.388 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)(C)C ZINC001332808813 957853065 /nfs/dbraw/zinc/85/30/65/957853065.db2.gz OSHRCHGTVBTCRE-UPJWGTAASA-N 2 0 269.433 1.467 10 0 CDAERP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001318365872 958062163 /nfs/dbraw/zinc/06/21/63/958062163.db2.gz NPWOMQSHNDESSF-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001318699606 958237167 /nfs/dbraw/zinc/23/71/67/958237167.db2.gz XOCSUIXNIPGXKA-XNRPHZJLSA-N 2 0 281.444 1.611 10 0 CDAERP CC[N@H+](C)CCC(=O)NCC1=CC[NH+](C(C)C)CC1 ZINC001333432437 958333273 /nfs/dbraw/zinc/33/32/73/958333273.db2.gz PDKYYCQPJOHLKS-UHFFFAOYSA-N 2 0 267.417 1.485 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C[NH2+]CCC1CC1 ZINC001319207932 958435938 /nfs/dbraw/zinc/43/59/38/958435938.db2.gz JKBYCFRWKOTPDX-ZFWWWQNUSA-N 2 0 281.444 1.613 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C[NH2+]CC)C2CC2)C1 ZINC001367905424 958469291 /nfs/dbraw/zinc/46/92/91/958469291.db2.gz KSEXZHVAPYWOGR-LSDHHAIUSA-N 2 0 281.444 1.613 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001319709193 958694818 /nfs/dbraw/zinc/69/48/18/958694818.db2.gz BOEARAZVUGJZNY-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[NH+]1CCC2(CN(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001368425382 958830908 /nfs/dbraw/zinc/83/09/08/958830908.db2.gz QPCCYZGODFYIMU-UHFFFAOYSA-N 2 0 281.444 1.663 10 0 CDAERP CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001368674754 959035413 /nfs/dbraw/zinc/03/54/13/959035413.db2.gz LZIOCPPVCQYAAR-CQSZACIVSA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CCC(C)C ZINC001495106226 972408528 /nfs/dbraw/zinc/40/85/28/972408528.db2.gz CASWTXVNFWRKQN-AWEZNQCLSA-N 2 0 269.433 1.613 10 0 CDAERP C[C@H](CC[NH2+]CC1CCC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001320607057 959271762 /nfs/dbraw/zinc/27/17/62/959271762.db2.gz IJHBGBSQMNDDHJ-UKRRQHHQSA-N 2 0 281.444 1.613 10 0 CDAERP CC[NH2+]CCN(CC)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001320928653 959464217 /nfs/dbraw/zinc/46/42/17/959464217.db2.gz LDXYUKKRUAECDZ-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@]2(C)C[NH+](CCF)C[C@]2(C)C1 ZINC001369152685 959489908 /nfs/dbraw/zinc/48/99/08/959489908.db2.gz IIBONUKJQWZWLN-IYBDPMFKSA-N 2 0 299.434 1.468 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1C[C@@H](C[NH2+]C[C@@H](C)CC)C1)[NH+](C)C ZINC001369178913 959506491 /nfs/dbraw/zinc/50/64/91/959506491.db2.gz GJGPMWRZJJUHAI-ZQDZILKHSA-N 2 0 283.460 1.857 10 0 CDAERP CCCC[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001321067049 959573611 /nfs/dbraw/zinc/57/36/11/959573611.db2.gz QUYPWJSEOOBFNO-PRQMKSPXSA-N 2 0 281.444 1.779 10 0 CDAERP C[C@H]1C[C@H]([NH2+]Cc2ccns2)CN1C(=O)CC[NH+](C)C ZINC001369404919 959669149 /nfs/dbraw/zinc/66/91/49/959669149.db2.gz OFMTUFSFATUGCZ-RYUDHWBXSA-N 2 0 296.440 1.174 10 0 CDAERP CC(C)C[NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001370268751 960035304 /nfs/dbraw/zinc/03/53/04/960035304.db2.gz XDHLLOLLAZMKJT-CQSZACIVSA-N 2 0 279.428 1.223 10 0 CDAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccccn1 ZINC001371361049 972488027 /nfs/dbraw/zinc/48/80/27/972488027.db2.gz FYNQGVRLAJPLAO-ZIAGYGMSSA-N 2 0 290.411 1.018 10 0 CDAERP CC(C)C[NH2+]CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001322543679 960255203 /nfs/dbraw/zinc/25/52/03/960255203.db2.gz NTRMXPSQOBFIRX-UHFFFAOYSA-N 2 0 269.433 1.565 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001323294812 960619914 /nfs/dbraw/zinc/61/99/14/960619914.db2.gz ZLRGBARGLFZIMM-STQMWFEESA-N 2 0 255.406 1.175 10 0 CDAERP CC(C)OCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001418595743 960777457 /nfs/dbraw/zinc/77/74/57/960777457.db2.gz RXIMEXUNOZUTLO-CABCVRRESA-N 2 0 297.443 1.086 10 0 CDAERP CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001418661722 960864391 /nfs/dbraw/zinc/86/43/91/960864391.db2.gz AHVVJQFMLLPADP-ZNMIVQPWSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]3C[NH+](C)C[C@@H]32)C1 ZINC001434025587 960902334 /nfs/dbraw/zinc/90/23/34/960902334.db2.gz ZPQHQIULYFZEHQ-KKUMJFAQSA-N 2 0 279.428 1.269 10 0 CDAERP CCCN(C(=O)C[NH+]1CCCC1)C1CC[NH+](CC)CC1 ZINC001419208972 961504316 /nfs/dbraw/zinc/50/43/16/961504316.db2.gz SLWHCISBAITKAN-UHFFFAOYSA-N 2 0 281.444 1.805 10 0 CDAERP Cn1nccc1C[C@@H]1CCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC001434495284 961542850 /nfs/dbraw/zinc/54/28/50/961542850.db2.gz UOGHZQZMBHKMGK-ZBFHGGJFSA-N 2 0 276.428 1.911 10 0 CDAERP OC1(CC[NH+]2CCC(O)(C[NH+]3CCCCC3)CC2)CCC1 ZINC001434511059 961590327 /nfs/dbraw/zinc/59/03/27/961590327.db2.gz YFMVAWKDMIUAOM-UHFFFAOYSA-N 2 0 296.455 1.604 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC[C@@H]2CCCCO2)C1 ZINC001419417959 961680988 /nfs/dbraw/zinc/68/09/88/961680988.db2.gz JTDSSLBYAIIYOS-KKUMJFAQSA-N 2 0 297.443 1.134 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cncs1)[NH+](C)C ZINC001419530994 961792278 /nfs/dbraw/zinc/79/22/78/961792278.db2.gz UACDHURSNHMHLC-WCQYABFASA-N 2 0 298.456 1.325 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CCO[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001419570353 961822069 /nfs/dbraw/zinc/82/20/69/961822069.db2.gz SHLHGISGZZUGBZ-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@H](F)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001419606730 961862870 /nfs/dbraw/zinc/86/28/70/961862870.db2.gz JGIBVCGIWZGRLH-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC1CC1 ZINC001419932636 962251546 /nfs/dbraw/zinc/25/15/46/962251546.db2.gz BSYPNIPEQSJSLY-AWEZNQCLSA-N 2 0 279.428 1.223 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001419965581 962299871 /nfs/dbraw/zinc/29/98/71/962299871.db2.gz HKLFPUAJGHITCK-CQSZACIVSA-N 2 0 283.460 1.907 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]([NH2+]CCF)C2CC2)C1 ZINC001436811189 962430975 /nfs/dbraw/zinc/43/09/75/962430975.db2.gz MMOXLWSJBBQDQP-GJZGRUSLSA-N 2 0 299.434 1.562 10 0 CDAERP CC(C)C[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001436978042 962536968 /nfs/dbraw/zinc/53/69/68/962536968.db2.gz LMBPLXQQFHEURD-FPCVCCKLSA-N 2 0 295.471 1.857 10 0 CDAERP CC(C)CC[N@H+](C)CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001420252997 962632111 /nfs/dbraw/zinc/63/21/11/962632111.db2.gz RXYPJIFEOFQQRR-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001437310887 962799808 /nfs/dbraw/zinc/79/98/08/962799808.db2.gz KTIBWUDWEGIHRU-XHSDSOJGSA-N 2 0 295.471 1.811 10 0 CDAERP C[C@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC[C@H](C)F ZINC001437419525 962875362 /nfs/dbraw/zinc/87/53/62/962875362.db2.gz UFIJPDOQFSDCRG-QWHCGFSZSA-N 2 0 285.407 1.315 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC[N@@H+]2CCC(C)(C)C2)C1 ZINC001420569430 963069434 /nfs/dbraw/zinc/06/94/34/963069434.db2.gz LZVJWRRFGDSPAF-HUUCEWRRSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](F)CC[N@H+](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001420618190 963125288 /nfs/dbraw/zinc/12/52/88/963125288.db2.gz WYFSMKHSPAUWIW-OLZOCXBDSA-N 2 0 287.423 1.513 10 0 CDAERP CC(C)CC[N@H+](C)C[C@H](C)NC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001420656993 963163590 /nfs/dbraw/zinc/16/35/90/963163590.db2.gz FVVUQEAYPDGJQE-RDJZCZTQSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001437915653 963234991 /nfs/dbraw/zinc/23/49/91/963234991.db2.gz HEUQPLUQMWBQKD-OWCLPIDISA-N 2 0 295.471 1.811 10 0 CDAERP CO[C@@H](C)C[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001420953037 963381884 /nfs/dbraw/zinc/38/18/84/963381884.db2.gz PTCWJPSOXCDESN-GJZGRUSLSA-N 2 0 299.459 1.142 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001420966679 963389400 /nfs/dbraw/zinc/38/94/00/963389400.db2.gz USZLUBBNCMHIOZ-KKUMJFAQSA-N 2 0 299.434 1.799 10 0 CDAERP CC[C@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH2+]CCO ZINC001438336919 963422520 /nfs/dbraw/zinc/42/25/20/963422520.db2.gz WZYXOENEDVRPOE-CYBMUJFWSA-N 2 0 299.459 1.116 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001421114470 963461142 /nfs/dbraw/zinc/46/11/42/963461142.db2.gz TUCQKKOIPSTBFT-RBSFLKMASA-N 2 0 281.444 1.563 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001569374603 1169824856 /nfs/dbraw/zinc/82/48/56/1169824856.db2.gz MVUHZENAWOBIFZ-CGFBPQRUSA-N 2 0 293.455 1.875 10 0 CDAERP C[C@@H](C[NH2+]CC1CCC1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001438714253 963531854 /nfs/dbraw/zinc/53/18/54/963531854.db2.gz YQFNFNDTHNPHIV-ZFWWWQNUSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001421358357 963567180 /nfs/dbraw/zinc/56/71/80/963567180.db2.gz YKKBNVSOXIXXOR-CABCVRRESA-N 2 0 283.460 1.907 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001439239701 963688738 /nfs/dbraw/zinc/68/87/38/963688738.db2.gz QSCZUBYLSQMIDW-XQQFMLRXSA-N 2 0 273.396 1.313 10 0 CDAERP C[C@@H](C[N@H+](C)Cc1ccc(F)cc1)NC(=O)CC[NH+](C)C ZINC001439367023 963739632 /nfs/dbraw/zinc/73/96/32/963739632.db2.gz ULCVEZBMUCFGKI-ZDUSSCGKSA-N 2 0 295.402 1.714 10 0 CDAERP CC(C)[NH+](C)CC(=O)N[C@H](C)C[N@H+](C)CC[C@H]1CCCO1 ZINC001439412634 963757216 /nfs/dbraw/zinc/75/72/16/963757216.db2.gz WWSNYKBMDDYKMG-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1CC[C@@H](C)F ZINC001440264697 963960321 /nfs/dbraw/zinc/96/03/21/963960321.db2.gz WETCVLMLWONZHC-ZIAGYGMSSA-N 2 0 287.423 1.609 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001440268595 963963465 /nfs/dbraw/zinc/96/34/65/963963465.db2.gz AMJWQEISBIJCLR-XQLPTFJDSA-N 2 0 281.444 1.611 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC2(CC1)CC[NH+](CCF)CC2 ZINC001440690607 964135958 /nfs/dbraw/zinc/13/59/58/964135958.db2.gz HHOVVHNRKNGDQR-UHFFFAOYSA-N 2 0 299.434 1.612 10 0 CDAERP CC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001440835209 964204137 /nfs/dbraw/zinc/20/41/37/964204137.db2.gz KZYHYYFQIFWMCM-UONOGXRCSA-N 2 0 291.439 1.907 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001441493705 964550177 /nfs/dbraw/zinc/55/01/77/964550177.db2.gz CTODOILXDRAIAZ-YYFQZIEXSA-N 2 0 299.434 1.702 10 0 CDAERP CO[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001441498560 964552746 /nfs/dbraw/zinc/55/27/46/964552746.db2.gz BIFFQDYCWAVYSP-MCIONIFRSA-N 2 0 297.443 1.133 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](C/C=C\Cl)C[C@H]21 ZINC001441736310 964669737 /nfs/dbraw/zinc/66/97/37/964669737.db2.gz UFSQOWLTNGYLGV-DBRSFDGCSA-N 2 0 285.819 1.126 10 0 CDAERP Cc1csc(C[NH2+][C@@H](C)CNC(=O)C[NH+]2CCCC2)n1 ZINC001442051325 964847121 /nfs/dbraw/zinc/84/71/21/964847121.db2.gz NJUKIDZTLNTYDJ-NSHDSACASA-N 2 0 296.440 1.142 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCC2CC2)C1)[NH+](C)C ZINC001443421844 965462375 /nfs/dbraw/zinc/46/23/75/965462375.db2.gz NRPVWPQLMRLSDI-CVEARBPZSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@@H](F)CC[NH+]1CC(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001443588243 965528387 /nfs/dbraw/zinc/52/83/87/965528387.db2.gz JVSULWJZAVBBMZ-GFCCVEGCSA-N 2 0 285.407 1.267 10 0 CDAERP CC(C)[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC1CCC1 ZINC001444908227 965999766 /nfs/dbraw/zinc/99/97/66/965999766.db2.gz GZRMKNIZHDUUFQ-GDBMZVCRSA-N 2 0 295.471 1.859 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001445060975 966081901 /nfs/dbraw/zinc/08/19/01/966081901.db2.gz FQQAEJJWFBJIQR-MCIONIFRSA-N 2 0 267.417 1.269 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccc(F)c(F)c1)NC(=O)CC[NH+](C)C ZINC001445607683 966254702 /nfs/dbraw/zinc/25/47/02/966254702.db2.gz ACBQEZWNOBKLLT-NSHDSACASA-N 2 0 299.365 1.511 10 0 CDAERP O=C(N[C@@H](C[NH2+]CC1CC1)C1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001445959234 966401927 /nfs/dbraw/zinc/40/19/27/966401927.db2.gz YIXVEFQRBQGUSJ-CVEARBPZSA-N 2 0 291.439 1.223 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001446439402 966543779 /nfs/dbraw/zinc/54/37/79/966543779.db2.gz HHRIPDRPEKHUCH-JKSUJKDBSA-N 2 0 293.455 1.565 10 0 CDAERP CC1CC([NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1 ZINC001350957462 966811244 /nfs/dbraw/zinc/81/12/44/966811244.db2.gz RMCLIVZLIDPWMN-HTAVTVPLSA-N 2 0 252.358 1.060 10 0 CDAERP CC(C)CC[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001448089639 966992822 /nfs/dbraw/zinc/99/28/22/966992822.db2.gz DYTJBMMQPNSNAZ-GJZGRUSLSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)CC[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001448089636 966993153 /nfs/dbraw/zinc/99/31/53/966993153.db2.gz DYTJBMMQPNSNAZ-CABCVRRESA-N 2 0 283.460 1.811 10 0 CDAERP C[C@@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C1C[NH+](CC2CC2)C1 ZINC001448321332 967073059 /nfs/dbraw/zinc/07/30/59/967073059.db2.gz WACWNFDOCSNPSK-CJNGLKHVSA-N 2 0 293.455 1.707 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1C ZINC001543966278 967329222 /nfs/dbraw/zinc/32/92/22/967329222.db2.gz NTVVLBPUWRCJNV-RWMBFGLXSA-N 2 0 265.401 1.070 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC001544362832 967357277 /nfs/dbraw/zinc/35/72/77/967357277.db2.gz JVCFVEFCBPLFIJ-MCIONIFRSA-N 2 0 269.433 1.373 10 0 CDAERP C[NH+](C)C1(CNC(=O)c2ccc(C[NH+]3CCCC3)o2)CC1 ZINC001451741950 968000600 /nfs/dbraw/zinc/00/06/00/968000600.db2.gz SBHCFGQLGYRAST-UHFFFAOYSA-N 2 0 291.395 1.699 10 0 CDAERP CCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC)C1 ZINC001456156394 968876756 /nfs/dbraw/zinc/87/67/56/968876756.db2.gz BPFMHJOONJAAKV-GJZGRUSLSA-N 2 0 281.444 1.851 10 0 CDAERP C[N@@H+]1C[C@]23C[NH+](C[C@]4(O)CCCOC4)C[C@@]2(C1)CCCC3 ZINC001460969345 969577795 /nfs/dbraw/zinc/57/77/95/969577795.db2.gz CWRBMVUAUPTEMT-IXDOHACOSA-N 2 0 294.439 1.336 10 0 CDAERP CC[NH+]1CCC(NC(=O)[C@H](C)CC[NH+](C)C)CC1 ZINC001463782058 969750489 /nfs/dbraw/zinc/75/04/89/969750489.db2.gz GRFMVYCQLIYPNF-GFCCVEGCSA-N 2 0 255.406 1.175 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH+]2CCC(C)CC2)C1 ZINC001464156701 969773447 /nfs/dbraw/zinc/77/34/47/969773447.db2.gz CHCSHNFOWJFRDJ-MRXNPFEDSA-N 2 0 295.471 1.955 10 0 CDAERP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H](C)CC[NH+](C)C)C1 ZINC001465473928 969875836 /nfs/dbraw/zinc/87/58/36/969875836.db2.gz WDJXECNMISDGLF-HUUCEWRRSA-N 2 0 283.460 1.765 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC001466010554 969913855 /nfs/dbraw/zinc/91/38/55/969913855.db2.gz GOXMGLUEDSZRAZ-FRRDWIJNSA-N 2 0 267.417 1.316 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]([NH+](C)C)C1(C)C ZINC001469334534 970241624 /nfs/dbraw/zinc/24/16/24/970241624.db2.gz VCKBMQVUIYDOHD-KFWWJZLASA-N 2 0 295.471 1.952 10 0 CDAERP C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCCCC[NH+](C)C)C[N@@H+]2C1 ZINC001520987237 970253377 /nfs/dbraw/zinc/25/33/77/970253377.db2.gz SYMHZYXPKGRKFX-ILXRZTDVSA-N 2 0 281.444 1.565 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)[C@H](C)CC[NH+](C)C)CC1 ZINC001361728676 970467292 /nfs/dbraw/zinc/46/72/92/970467292.db2.gz MSYAJZOAAZQCNH-CQSZACIVSA-N 2 0 283.460 1.812 10 0 CDAERP CCC(CC)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001371544420 972545432 /nfs/dbraw/zinc/54/54/32/972545432.db2.gz PBBYHQNLUJNTKE-CABCVRRESA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001371870375 972662183 /nfs/dbraw/zinc/66/21/83/972662183.db2.gz RKUATFNMNYOVQO-CHWSQXEVSA-N 2 0 285.407 1.315 10 0 CDAERP C[C@@H](C[NH2+]CCCF)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001496063168 972782967 /nfs/dbraw/zinc/78/29/67/972782967.db2.gz ZTSIYYBHUXYMIE-JSGCOSHPSA-N 2 0 285.407 1.124 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]CCC(F)(F)F ZINC001496252181 972857353 /nfs/dbraw/zinc/85/73/53/972857353.db2.gz WKQVOEXDCWPKSV-NSHDSACASA-N 2 0 297.365 1.716 10 0 CDAERP CC(C)C[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001372811064 973155431 /nfs/dbraw/zinc/15/54/31/973155431.db2.gz YONHJGLKQDKERB-MRXNPFEDSA-N 2 0 293.455 1.565 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+](C(C)C)C1 ZINC001417632824 973218079 /nfs/dbraw/zinc/21/80/79/973218079.db2.gz NNQGXRRFHYCVNX-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2C/C=C\Cl ZINC001373078960 973251316 /nfs/dbraw/zinc/25/13/16/973251316.db2.gz KQUDZLMJAZCPOJ-ISRGKOJGSA-N 2 0 299.846 1.754 10 0 CDAERP CCC[NH2+]CCN(CC)C(=O)C1(C[NH+](C)C)CC1 ZINC001497441638 973350360 /nfs/dbraw/zinc/35/03/60/973350360.db2.gz GPVBQVXIAMUNRT-UHFFFAOYSA-N 2 0 255.406 1.176 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001417791869 973386507 /nfs/dbraw/zinc/38/65/07/973386507.db2.gz MQFJMDMWRZRUDM-BZUAXINKSA-N 2 0 295.471 1.859 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC001417809637 973395732 /nfs/dbraw/zinc/39/57/32/973395732.db2.gz AKCLKVGNXUKCGV-RBSFLKMASA-N 2 0 281.444 1.659 10 0 CDAERP CC(C)CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C ZINC001373572176 973497992 /nfs/dbraw/zinc/49/79/92/973497992.db2.gz ZXHBIJRXSVQETF-JYJNAYRXSA-N 2 0 293.455 1.802 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCF)C1CC1 ZINC001417981913 973513871 /nfs/dbraw/zinc/51/38/71/973513871.db2.gz ICWBOKJPDXFBFZ-GJZGRUSLSA-N 2 0 299.434 1.561 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001373638447 973537732 /nfs/dbraw/zinc/53/77/32/973537732.db2.gz FQMNWQVUPLJVMT-OAHLLOKOSA-N 2 0 293.455 1.709 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C[NH2+]CC[C@@H]1CCCCO1)[NH+](C)C ZINC001497836128 973543537 /nfs/dbraw/zinc/54/35/37/973543537.db2.gz SGBHMUYNAXWTER-QLFBSQMISA-N 2 0 299.459 1.380 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C[NH2+]CC[C@H]1CCCCO1)[NH+](C)C ZINC001497836129 973545289 /nfs/dbraw/zinc/54/52/89/973545289.db2.gz SGBHMUYNAXWTER-RBSFLKMASA-N 2 0 299.459 1.380 10 0 CDAERP CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]Cc1ccsc1)[NH+](C)C ZINC001418269142 973713370 /nfs/dbraw/zinc/71/33/70/973713370.db2.gz KDXNODKUOFCTAY-GXTWGEPZSA-N 2 0 297.468 1.929 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]CCc1ccccc1 ZINC001498197514 973735863 /nfs/dbraw/zinc/73/58/63/973735863.db2.gz NTXLQNUXEBKOBY-HNNXBMFYSA-N 2 0 291.439 1.664 10 0 CDAERP CC(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001418328310 973752254 /nfs/dbraw/zinc/75/22/54/973752254.db2.gz FWZRRUVAUCEIQP-QLFBSQMISA-N 2 0 281.444 1.563 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@@H](NC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001498771110 974056689 /nfs/dbraw/zinc/05/66/89/974056689.db2.gz SZVWLKQPKWLICO-UONOGXRCSA-N 2 0 299.434 1.703 10 0 CDAERP CCN(CC[NH2+]C(C)C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001374705494 974072403 /nfs/dbraw/zinc/07/24/03/974072403.db2.gz RKTPJDWRZLYJNR-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CCc1nc(C)c(C[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C)o1 ZINC001374929351 974181964 /nfs/dbraw/zinc/18/19/64/974181964.db2.gz BWDBPCOEUJGHRG-NSHDSACASA-N 2 0 296.415 1.091 10 0 CDAERP CC[C@@H](C(=O)N1CCC([N@H+](CC)CCOC)CC1)[NH+](C)C ZINC001499538842 974262310 /nfs/dbraw/zinc/26/23/10/974262310.db2.gz QCWOOMVMWPKBFO-HNNXBMFYSA-N 2 0 299.459 1.286 10 0 CDAERP CC[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001375573461 974427591 /nfs/dbraw/zinc/42/75/91/974427591.db2.gz CAIKJZVLORHAQF-UONOGXRCSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC[N@@H+]1CC1CC1 ZINC001375603922 974434586 /nfs/dbraw/zinc/43/45/86/974434586.db2.gz LSYUARLKCROCFY-XHSDSOJGSA-N 2 0 295.471 1.952 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[NH+]1CC ZINC001375608084 974435008 /nfs/dbraw/zinc/43/50/08/974435008.db2.gz GRSKGNYHHKTQTQ-JJXSEGSLSA-N 2 0 293.455 1.517 10 0 CDAERP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](CCC[C@H](C)O)C1 ZINC001376065700 974549952 /nfs/dbraw/zinc/54/99/52/974549952.db2.gz ARONKYDDFCUCQW-LSDHHAIUSA-N 2 0 299.459 1.068 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CCF)C1CC1 ZINC001376224771 974607859 /nfs/dbraw/zinc/60/78/59/974607859.db2.gz SZODESDMAVJHMI-UONOGXRCSA-N 2 0 285.407 1.313 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]([NH2+]C/C=C\Cl)C2)C1 ZINC001376334806 974633043 /nfs/dbraw/zinc/63/30/43/974633043.db2.gz AFXCQFGHVFUCBV-KZUJRYBGSA-N 2 0 285.819 1.271 10 0 CDAERP CC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001376464203 974668248 /nfs/dbraw/zinc/66/82/48/974668248.db2.gz LZJHVYXMXUUGAZ-BETUJISGSA-N 2 0 281.444 1.896 10 0 CDAERP CCCC[N@@H+]1CCC[C@@](CO)(NC(=O)CCC[NH+](C)C)C1 ZINC001376486242 974673758 /nfs/dbraw/zinc/67/37/58/974673758.db2.gz ZAIWSPAULITNOE-MRXNPFEDSA-N 2 0 299.459 1.071 10 0 CDAERP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1[NH2+]CCCF ZINC001502738402 974772209 /nfs/dbraw/zinc/77/22/09/974772209.db2.gz NUDOIKNIZDLVMR-OCCSQVGLSA-N 2 0 285.407 1.124 10 0 CDAERP CC[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CCC1 ZINC001376822581 974783973 /nfs/dbraw/zinc/78/39/73/974783973.db2.gz ZOIHJZNUSXZIFD-CQSZACIVSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NCC[C@H](C)[NH2+]C[C@@H]1CCCOC1 ZINC001377110532 974886778 /nfs/dbraw/zinc/88/67/78/974886778.db2.gz MOPHFEJNFMJNSY-GJZGRUSLSA-N 2 0 299.459 1.238 10 0 CDAERP CC[NH2+]C1(C)CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001377304813 974954017 /nfs/dbraw/zinc/95/40/17/974954017.db2.gz MTRNYPLVXQDQHU-UHFFFAOYSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)CC[NH2+][C@H](C)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001505757929 974982816 /nfs/dbraw/zinc/98/28/16/974982816.db2.gz XGNPKFIEOBWOFD-KGLIPLIRSA-N 2 0 269.433 1.611 10 0 CDAERP CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001505847678 975000694 /nfs/dbraw/zinc/00/06/94/975000694.db2.gz ZRYWXZNHKGJOMT-KRWDZBQOSA-N 2 0 295.471 1.957 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](CCC(F)(F)F)C1 ZINC001377861889 975158628 /nfs/dbraw/zinc/15/86/28/975158628.db2.gz ALKYQPOHYJWXIZ-LLVKDONJSA-N 2 0 295.349 1.471 10 0 CDAERP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@@H](C)[NH2+]CCC1CC1 ZINC001377884209 975165781 /nfs/dbraw/zinc/16/57/81/975165781.db2.gz OUXBVLZFFROGGF-CHWSQXEVSA-N 2 0 279.428 1.365 10 0 CDAERP CC(C)C[C@@H](C)C[NH+]1CC(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001377949726 975182567 /nfs/dbraw/zinc/18/25/67/975182567.db2.gz CEYNZKUSMBIUFM-CQSZACIVSA-N 2 0 283.460 1.809 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001506901558 975252486 /nfs/dbraw/zinc/25/24/86/975252486.db2.gz FJUGBBLCXKTBID-IHRRRGAJSA-N 2 0 297.418 1.315 10 0 CDAERP C[C@@H](CNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH+](C)CCCF ZINC001378215964 975290227 /nfs/dbraw/zinc/29/02/27/975290227.db2.gz HWJUMMVNNGDFDT-ZFWWWQNUSA-N 2 0 285.407 1.268 10 0 CDAERP C[C@@H](CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC1CCCC1 ZINC001507124793 975346993 /nfs/dbraw/zinc/34/69/93/975346993.db2.gz DOLFIDSQGGAYCZ-GJZGRUSLSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@@H]1[NH+](CCCF)CC2 ZINC001507351803 975427442 /nfs/dbraw/zinc/42/74/42/975427442.db2.gz ICPGHHAMTIACLM-HOCLYGCPSA-N 2 0 299.434 1.801 10 0 CDAERP COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001378653278 975429278 /nfs/dbraw/zinc/42/92/78/975429278.db2.gz KGLUFYVHYHSSIO-UONOGXRCSA-N 2 0 299.459 1.190 10 0 CDAERP CC1CCC(C[NH+]2CC(NC(=O)CC[NH+](C)C)C2)CC1 ZINC001404803217 975486917 /nfs/dbraw/zinc/48/69/17/975486917.db2.gz DLNDOPIESUHSBC-UHFFFAOYSA-N 2 0 281.444 1.565 10 0 CDAERP COC[C@@H](C)[NH2+][C@H]1CCCCCN(C(=O)CC[NH+](C)C)C1 ZINC001397224492 975503968 /nfs/dbraw/zinc/50/39/68/975503968.db2.gz IUQGWZAZPFMFLI-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]CCC(F)(F)F)C1 ZINC001388685402 975551918 /nfs/dbraw/zinc/55/19/18/975551918.db2.gz HAPAVAIEDZDOLY-PHIMTYICSA-N 2 0 295.349 1.375 10 0 CDAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]C/C=C\Cl ZINC001401286619 975565104 /nfs/dbraw/zinc/56/51/04/975565104.db2.gz BKBWGISLXAADBI-PWNWJAOYSA-N 2 0 287.835 1.517 10 0 CDAERP CC(C)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001401302367 975570299 /nfs/dbraw/zinc/57/02/99/975570299.db2.gz SAOQVHGZEQLPCU-GJZGRUSLSA-N 2 0 283.460 1.809 10 0 CDAERP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1C[NH2+]CC1CCC1 ZINC001401310997 975575797 /nfs/dbraw/zinc/57/57/97/975575797.db2.gz MOBAOQARLSIRQJ-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CCC1CC1 ZINC001388772788 975588845 /nfs/dbraw/zinc/58/88/45/975588845.db2.gz XQMFCQYUNPRELZ-LSDHHAIUSA-N 2 0 281.444 1.707 10 0 CDAERP CC[NH2+]Cc1nc2c(s1)CCN(C(=O)CC[NH+](C)C)C2 ZINC001388835882 975613082 /nfs/dbraw/zinc/61/30/82/975613082.db2.gz KDVDGTMWXZHQFV-UHFFFAOYSA-N 2 0 296.440 1.089 10 0 CDAERP CC(C)C[N@H+](C)CCN(C)C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001379124758 975679184 /nfs/dbraw/zinc/67/91/84/975679184.db2.gz OHJKWTXGLNUFDQ-INIZCTEOSA-N 2 0 281.444 1.519 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](C[C@@H](C)OC)[C@@H]1C ZINC001397803531 975728642 /nfs/dbraw/zinc/72/86/42/975728642.db2.gz QMRPOSWMYGMUDH-KFWWJZLASA-N 2 0 299.459 1.332 10 0 CDAERP Cc1cccc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001401672116 975780290 /nfs/dbraw/zinc/78/02/90/975780290.db2.gz WQPCWBCWUJZYHQ-ZBFHGGJFSA-N 2 0 289.423 1.541 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CCC[C@H](NC(=O)CCn2ccnc2)C1 ZINC001389383596 975800692 /nfs/dbraw/zinc/80/06/92/975800692.db2.gz ZMCVAIKPEAZQRH-KGLIPLIRSA-N 2 0 296.390 1.602 10 0 CDAERP CC(C)C[C@H](C)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001389520501 975885528 /nfs/dbraw/zinc/88/55/28/975885528.db2.gz ZACCLAOHXZTWBM-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](C[N@H+](C)CC[C@@H]1CCCCO1)NC(=O)CC[NH+](C)C ZINC001379743418 976047435 /nfs/dbraw/zinc/04/74/35/976047435.db2.gz PETRPSAIUSGADC-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)CCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001379788249 976078123 /nfs/dbraw/zinc/07/81/23/976078123.db2.gz WDGSODCACITBIP-HUUCEWRRSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]C/C=C/Cl ZINC001398912675 976237416 /nfs/dbraw/zinc/23/74/16/976237416.db2.gz CUCOKYPEHDAHIG-MVTQWGDUSA-N 2 0 287.835 1.706 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCOC ZINC001402472436 976297996 /nfs/dbraw/zinc/29/79/96/976297996.db2.gz IJLJFOFBPMKZEG-GJZGRUSLSA-N 2 0 297.443 1.040 10 0 CDAERP CO[C@H](C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C ZINC001402487513 976310894 /nfs/dbraw/zinc/31/08/94/976310894.db2.gz PPEXJQBQWXNTRP-ILXRZTDVSA-N 2 0 297.443 1.038 10 0 CDAERP CCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC001390625636 976398035 /nfs/dbraw/zinc/39/80/35/976398035.db2.gz SPIZMHCHPGUHBR-LSDHHAIUSA-N 2 0 297.443 1.040 10 0 CDAERP Cc1nocc1C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001390648805 976416162 /nfs/dbraw/zinc/41/61/62/976416162.db2.gz SOEKFVZZMFYWCH-RISCZKNCSA-N 2 0 294.399 1.062 10 0 CDAERP C[N@H+](CCCF)CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001390778343 976498765 /nfs/dbraw/zinc/49/87/65/976498765.db2.gz LIFINOIUQNDUSR-UONOGXRCSA-N 2 0 285.407 1.411 10 0 CDAERP Cc1ccc(C[N@@H+](C)CCNC(=O)CC[NH+](C)C)c(C)c1 ZINC001399572113 976572611 /nfs/dbraw/zinc/57/26/11/976572611.db2.gz RJHHMJWKZRRCKC-UHFFFAOYSA-N 2 0 291.439 1.803 10 0 CDAERP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001407180682 976591887 /nfs/dbraw/zinc/59/18/87/976591887.db2.gz OEUQTMTYUWTGJM-QGZVFWFLSA-N 2 0 289.423 1.719 10 0 CDAERP CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001407245272 976614337 /nfs/dbraw/zinc/61/43/37/976614337.db2.gz VCGYJBZAVXWBEQ-GOEBONIOSA-N 2 0 279.428 1.176 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cccnc1 ZINC001403012632 976661079 /nfs/dbraw/zinc/66/10/79/976661079.db2.gz NFULESNWSLNTFQ-KBPBESRZSA-N 2 0 292.427 1.406 10 0 CDAERP CC[C@H](C)C[NH+]1CC(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001391459061 976895860 /nfs/dbraw/zinc/89/58/60/976895860.db2.gz OUTUFDACXWQKOE-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@@H+]([C@H](C)COC)C1 ZINC001400162226 976903463 /nfs/dbraw/zinc/90/34/63/976903463.db2.gz ZVHNFZKXYNFVNO-CABCVRRESA-N 2 0 299.459 1.286 10 0 CDAERP CC[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1cccnc1)[NH+](C)C ZINC001403379856 976920971 /nfs/dbraw/zinc/92/09/71/976920971.db2.gz KCQWNBHAKLUCIF-UKRRQHHQSA-N 2 0 292.427 1.406 10 0 CDAERP CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001381868375 977061278 /nfs/dbraw/zinc/06/12/78/977061278.db2.gz FMJUWFOWCNFEQM-ZIAGYGMSSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NCC[NH+](C)CC2CC(C)(C)C2)C1 ZINC001403686104 977142594 /nfs/dbraw/zinc/14/25/94/977142594.db2.gz MKZPLRWZGRUIIM-AWEZNQCLSA-N 2 0 295.471 1.812 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NCC[NH+](C)CCC(C)(C)C)C1 ZINC001403690567 977145689 /nfs/dbraw/zinc/14/56/89/977145689.db2.gz WYQPXISOQVPVMH-AWEZNQCLSA-N 2 0 283.460 1.812 10 0 CDAERP COC[C@H](C)[NH2+]C[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001391945322 977158797 /nfs/dbraw/zinc/15/87/97/977158797.db2.gz ZCDPNSSWAOQTRS-KGLIPLIRSA-N 2 0 299.459 1.238 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C(C)(C)C ZINC001382526103 977302091 /nfs/dbraw/zinc/30/20/91/977302091.db2.gz XYUMSBLNFPXNJN-MJBXVCDLSA-N 2 0 283.460 1.857 10 0 CDAERP O=C(C[NH+]1CCCC1)NC1(C2CC[NH+](CCF)CC2)CC1 ZINC001382590571 977313572 /nfs/dbraw/zinc/31/35/72/977313572.db2.gz TXRVJQHSSVCGGL-UHFFFAOYSA-N 2 0 297.418 1.413 10 0 CDAERP CN(CC[N@H+](C)CC1CC1)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001392318212 977407287 /nfs/dbraw/zinc/40/72/87/977407287.db2.gz HPYMJEQBOHTYLT-CVEARBPZSA-N 2 0 295.471 1.907 10 0 CDAERP CC(C)[NH+](C)CC(=O)N[C@H](C)C[N@H+](C)CC1CCCC1 ZINC001392723090 977572297 /nfs/dbraw/zinc/57/22/97/977572297.db2.gz CMCMJDSBDLIFKQ-CQSZACIVSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1CC1CC(C)(C)C1 ZINC001392870335 977630700 /nfs/dbraw/zinc/63/07/00/977630700.db2.gz CILBXBOJPNCVDT-HNNXBMFYSA-N 2 0 295.471 1.953 10 0 CDAERP CCC[N@H+](C)CCC(=O)N(C)C1C[NH+](C[C@H](C)CC)C1 ZINC001393015837 977677272 /nfs/dbraw/zinc/67/72/72/977677272.db2.gz CFBUMFQNQWOUDG-CQSZACIVSA-N 2 0 283.460 1.907 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]2C[NH+](CC3CC3)C[C@H]21 ZINC001393468245 977796689 /nfs/dbraw/zinc/79/66/89/977796689.db2.gz VQYDKVMJOASZCZ-JKSUJKDBSA-N 2 0 293.455 1.659 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001393642122 977878934 /nfs/dbraw/zinc/87/89/34/977878934.db2.gz DCVWDNOPGCZYOL-HNNXBMFYSA-N 2 0 283.460 1.909 10 0 CDAERP CO[C@@H](C)C[N@H+](C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001394400685 978151706 /nfs/dbraw/zinc/15/17/06/978151706.db2.gz REXPYRJYKBXOSM-AWEZNQCLSA-N 2 0 297.443 1.040 10 0 CDAERP CCC[N@@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001675484783 1174118952 /nfs/dbraw/zinc/11/89/52/1174118952.db2.gz BGFHJAPMWOFGEF-ZDUSSCGKSA-N 2 0 269.433 1.563 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[NH+]1CCCC1 ZINC001676272907 1174198020 /nfs/dbraw/zinc/19/80/20/1174198020.db2.gz FKQURNKMJDDTFV-ZFWWWQNUSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)N(CC[N@H+](C)C(C)C)C(=O)[C@@H]1CCC[NH+]1C ZINC001677191454 1174333674 /nfs/dbraw/zinc/33/36/74/1174333674.db2.gz PHKUYLCUKOHUSY-AWEZNQCLSA-N 2 0 269.433 1.658 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H]1C ZINC001571526344 1170464135 /nfs/dbraw/zinc/46/41/35/1170464135.db2.gz FODLBEOFNAGZAY-QWHCGFSZSA-N 2 0 255.406 1.316 10 0 CDAERP CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC=C(C)C)C1)[NH+](C)C ZINC001656235696 1171798227 /nfs/dbraw/zinc/79/82/27/1171798227.db2.gz ZDAFPGWNXZAVFH-RBSFLKMASA-N 2 0 281.444 1.777 10 0 CDAERP CCN(C(=O)C[NH+](C)[C@@H]1CCSC1)[C@@H]1CC[N@H+](CC)C1 ZINC000617926976 342479587 /nfs/dbraw/zinc/47/95/87/342479587.db2.gz NJPBFTGNBFSANY-ZIAGYGMSSA-N 2 0 299.484 1.366 10 0 CDAERP O[C@H](C[NH2+]C1CCC1)CO[C@@H]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000675079031 539085758 /nfs/dbraw/zinc/08/57/58/539085758.db2.gz DNGZWFNVDPTICO-NGFQHRJXSA-N 2 0 268.401 1.037 10 0 CDAERP CC(C)(C)[NH2+]C[C@H](O)CO[C@@H]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000675080468 539085947 /nfs/dbraw/zinc/08/59/47/539085947.db2.gz QTBNQZIQLGWSGZ-XJFOESAGSA-N 2 0 270.417 1.283 10 0 CDAERP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650708878 398153937 /nfs/dbraw/zinc/15/39/37/398153937.db2.gz SADVSEHNMLJMLY-VGWMRTNUSA-N 3 0 283.460 1.578 10 0 CDAERP CC(C)OC(=O)CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601334735 342555223 /nfs/dbraw/zinc/55/52/23/342555223.db2.gz MZIUSEHTFIEJJK-OLZOCXBDSA-N 2 0 254.374 1.402 10 0 CDAERP CCOC(=O)CCCCN1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601335690 342555174 /nfs/dbraw/zinc/55/51/74/342555174.db2.gz XDVYJAWBIXNUHR-KGLIPLIRSA-N 2 0 268.401 1.794 10 0 CDAERP COc1cncc(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000625214989 342041716 /nfs/dbraw/zinc/04/17/16/342041716.db2.gz XXDDLFYLONEARR-YPMHNXCESA-N 2 0 264.373 1.400 10 0 CDAERP CC1CC[NH+](CC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000617011339 342606374 /nfs/dbraw/zinc/60/63/74/342606374.db2.gz CFKYCXDILLUPBU-AWEZNQCLSA-N 2 0 281.444 1.707 10 0 CDAERP CCOC[C@@H]1C[N@H+](CCC[NH3+])C[C@H]1C(F)(F)F ZINC000409436033 342169389 /nfs/dbraw/zinc/16/93/89/342169389.db2.gz XTQWZAWLROAUJY-VHSXEESVSA-N 2 0 254.296 1.482 10 0 CDAERP C[NH2+][C@@H]1CCC[C@@H]1N1CC[NH+](Cc2ccccc2)CC1 ZINC000409440033 342169728 /nfs/dbraw/zinc/16/97/28/342169728.db2.gz JJFGWLMVUUVFNF-SJORKVTESA-N 2 0 273.424 1.945 10 0 CDAERP C[NH+](C)CCC[C@@H]1CN(CC(=O)NCC(C)(C)C)CCO1 ZINC000625561964 342187906 /nfs/dbraw/zinc/18/79/06/342187906.db2.gz DYUOUSPIFGQVNW-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1cc(F)c(F)cc1F ZINC000629399095 361928887 /nfs/dbraw/zinc/92/88/87/361928887.db2.gz LKWCPMWMKRJRLV-UHFFFAOYSA-N 2 0 262.275 1.559 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)NCC[NH+]1CCCC[C@@H]1C ZINC000339784026 361965607 /nfs/dbraw/zinc/96/56/07/361965607.db2.gz FXNUYMOGQWORPJ-CABCVRRESA-N 2 0 298.475 1.890 10 0 CDAERP COCC[N@@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000339072233 539067265 /nfs/dbraw/zinc/06/72/65/539067265.db2.gz UVJBJBFIFGDZDG-OWCLPIDISA-N 2 0 281.444 1.314 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000594292751 342888239 /nfs/dbraw/zinc/88/82/39/342888239.db2.gz DUJHFBSRSOOJEH-LSDHHAIUSA-N 2 0 294.443 1.350 10 0 CDAERP COC(=O)CCCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000600708803 342243326 /nfs/dbraw/zinc/24/33/26/342243326.db2.gz GKXNAPXBKSKGPR-ZNMIVQPWSA-N 2 0 298.427 1.691 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)OC(C)(C)C)(C(N)=[NH2+])CC1 ZINC000685946691 539116278 /nfs/dbraw/zinc/11/62/78/539116278.db2.gz BJWPPVPTNRRDBR-UHFFFAOYSA-N 2 0 284.404 1.690 10 0 CDAERP COCCN1CCC[C@@H]1C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000163449465 539122765 /nfs/dbraw/zinc/12/27/65/539122765.db2.gz NKPQYCKJPCCWDZ-GDBMZVCRSA-N 2 0 283.460 1.417 10 0 CDAERP CC[NH+]1CCC[C@H]1CN(C)C(=O)NC[C@H]1CCC[N@H+]1CC ZINC000176400937 539134880 /nfs/dbraw/zinc/13/48/80/539134880.db2.gz GQXCUWGPVKSHRD-CABCVRRESA-N 2 0 296.459 1.596 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000354821547 365712989 /nfs/dbraw/zinc/71/29/89/365712989.db2.gz XAQBQHGZYZVTSO-YCPHGPKFSA-N 2 0 293.455 1.850 10 0 CDAERP CCOC(=O)C12CC(C1)C[N@@H+]2CCCC1CC[NH2+]CC1 ZINC000595904296 343188107 /nfs/dbraw/zinc/18/81/07/343188107.db2.gz CJGYLTMFXUGSFG-UHFFFAOYSA-N 2 0 280.412 1.794 10 0 CDAERP CCO[C@@H]1C[C@@H]([NH2+]CC2([NH3+])CCOCC2)C12CCC2 ZINC000629522740 362142972 /nfs/dbraw/zinc/14/29/72/362142972.db2.gz ADSDGRBYUBPLFO-CHWSQXEVSA-N 2 0 268.401 1.432 10 0 CDAERP C[N@H+](CCOC1CCOCC1)[C@H]1CCC[NH2+]CC1 ZINC000629520482 362134004 /nfs/dbraw/zinc/13/40/04/362134004.db2.gz YFSRUZQPCZORTL-ZDUSSCGKSA-N 2 0 256.390 1.256 10 0 CDAERP CN(C)[C@H](C[NH2+]C1CCC([NH3+])CC1)c1ccco1 ZINC000094074755 282247011 /nfs/dbraw/zinc/24/70/11/282247011.db2.gz PDZBAMPTOAXDHZ-WXRRBKDZSA-N 2 0 251.374 1.742 10 0 CDAERP Cc1cccn2c(C[NH2+]CC[C@H](O)C(F)F)cnc12 ZINC000631216355 362171859 /nfs/dbraw/zinc/17/18/59/362171859.db2.gz INIWCIKCPVLGKT-NSHDSACASA-N 2 0 269.295 1.748 10 0 CDAERP Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[nH]n1 ZINC000090528786 342396372 /nfs/dbraw/zinc/39/63/72/342396372.db2.gz RDIDPLVMPHQJNF-NJZAAPMLSA-N 2 0 262.401 1.866 10 0 CDAERP [NH3+]CCCN1CCC2(CC1)c1ccccc1OC2=O ZINC000034459490 342446035 /nfs/dbraw/zinc/44/60/35/342446035.db2.gz DJQFXKMEBVOPOO-UHFFFAOYSA-N 2 0 260.337 1.288 10 0 CDAERP C[C@@]1(C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CCCS1 ZINC000628214386 362181944 /nfs/dbraw/zinc/18/19/44/362181944.db2.gz VIZBFTPBXRDJMX-HIFRSBDPSA-N 2 0 299.484 1.449 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC000635628198 362211266 /nfs/dbraw/zinc/21/12/66/362211266.db2.gz ZBAYNHUNONPJDW-YNEHKIRRSA-N 2 0 276.384 1.456 10 0 CDAERP COC(=O)[C@H]1C[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000597220718 343484483 /nfs/dbraw/zinc/48/44/83/343484483.db2.gz GGRMPBAGLYJNOR-TXEJJXNPSA-N 2 0 286.335 1.309 10 0 CDAERP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000250645637 344048485 /nfs/dbraw/zinc/04/84/85/344048485.db2.gz VDZIPDLJUSIALL-KBXIAJHMSA-N 2 0 279.428 1.365 10 0 CDAERP CN(C(=O)C[NH+](C)[C@@H]1CCSC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000343892377 282339944 /nfs/dbraw/zinc/33/99/44/282339944.db2.gz FWDZQNOQUDSRGN-ZIAGYGMSSA-N 2 0 297.468 1.119 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH+](C)C ZINC000537215166 282353995 /nfs/dbraw/zinc/35/39/95/282353995.db2.gz RNDMJXGSNWDHRB-CYBMUJFWSA-N 2 0 255.406 1.271 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2(CO)CCOCC2)CC1(C)C ZINC000623469633 347079401 /nfs/dbraw/zinc/07/94/01/347079401.db2.gz JMIYHXARSPQDMQ-ZDUSSCGKSA-N 2 0 270.417 1.238 10 0 CDAERP CC(C)[NH+](CCNC(=O)CC1([NH3+])CCCC1)C(C)C ZINC000084162007 178810244 /nfs/dbraw/zinc/81/02/44/178810244.db2.gz BXCSDRYVYGZVNR-UHFFFAOYSA-N 2 0 269.433 1.883 10 0 CDAERP COCCN(CCC[NH+](C)C)C(=O)CC1([NH3+])CCCC1 ZINC000084182749 178816984 /nfs/dbraw/zinc/81/69/84/178816984.db2.gz KIVZIOOJYUEDKZ-UHFFFAOYSA-N 2 0 285.432 1.075 10 0 CDAERP CCN(C(=O)c1ccc(C[NH+](C)C)nc1)[C@H]1CC[N@H+](C)C1 ZINC000617550894 345842648 /nfs/dbraw/zinc/84/26/48/345842648.db2.gz HDLIMWQBGDRSBG-HNNXBMFYSA-N 2 0 290.411 1.309 10 0 CDAERP Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)CC2 ZINC000623396821 346154409 /nfs/dbraw/zinc/15/44/09/346154409.db2.gz CXYAVGSISLJVBL-CHWSQXEVSA-N 2 0 277.416 1.364 10 0 CDAERP C[N@H+](CCCC[C@@](C)(O)C[NH3+])CC1CCOCC1 ZINC000085302561 179010948 /nfs/dbraw/zinc/01/09/48/179010948.db2.gz USMTVRIVDAPRIE-CQSZACIVSA-N 2 0 258.406 1.225 10 0 CDAERP CN(C)c1cc[nH+]cc1NC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085360375 179032327 /nfs/dbraw/zinc/03/23/27/179032327.db2.gz GVMGTVVXALHPEP-MNOVXSKESA-N 2 0 262.357 1.604 10 0 CDAERP CC(C)[C@H](CNC(=O)[C@@H]1CCC[C@@H]1[NH3+])[NH+]1CCCC1 ZINC000085371110 179041176 /nfs/dbraw/zinc/04/11/76/179041176.db2.gz FFOPROCXMCJGLT-RDBSUJKOSA-N 2 0 267.417 1.350 10 0 CDAERP C[C@H]1CC[NH2+][C@@](C)(C2CC2)C[N@@H+]1CCn1cccn1 ZINC000085623719 179107089 /nfs/dbraw/zinc/10/70/89/179107089.db2.gz RGUTUECEDRVKTG-DZGCQCFKSA-N 2 0 262.401 1.736 10 0 CDAERP CCc1nc2c(n1[C@H]1CC[N@@H+](C3CC3)C1)CC[NH2+]C2 ZINC000085573006 179098337 /nfs/dbraw/zinc/09/83/37/179098337.db2.gz KPZZDRLEUPINFT-LBPRGKRZSA-N 2 0 260.385 1.500 10 0 CDAERP Cc1nccn1CC[N@H+]1CC(C)(C)[NH2+]CC[C@H]1C ZINC000085622534 179105343 /nfs/dbraw/zinc/10/53/43/179105343.db2.gz CVADRIHYAZRAHZ-GFCCVEGCSA-N 2 0 250.390 1.654 10 0 CDAERP CCC[NH2+][C@@H](CCO)CN1CC[NH+]([C@H](C)CC)CC1 ZINC000085922716 179201524 /nfs/dbraw/zinc/20/15/24/179201524.db2.gz GXEHANPOPUENPC-CABCVRRESA-N 2 0 271.449 1.153 10 0 CDAERP CCC[C@@H](O)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000450397852 362819008 /nfs/dbraw/zinc/81/90/08/362819008.db2.gz YSJMSWCDCUDYEU-HZPDHXFCSA-N 2 0 283.460 1.249 10 0 CDAERP C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000335697972 295764323 /nfs/dbraw/zinc/76/43/23/295764323.db2.gz PEXXNVIDKSUXLJ-LBPRGKRZSA-N 2 0 267.417 1.365 10 0 CDAERP CC[N@@H+]1CC[C@@H](CN2CC[NH2+][C@H](C(C)(C)C)C2)C1 ZINC000086141841 179236632 /nfs/dbraw/zinc/23/66/32/179236632.db2.gz AAAGMRKUXLOGQX-KGLIPLIRSA-N 2 0 253.434 1.648 10 0 CDAERP CC[C@H]1C[NH2+][C@H](C2CC2)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086182603 179247518 /nfs/dbraw/zinc/24/75/18/179247518.db2.gz DFRGWNPWKWLUKW-HRCADAONSA-N 2 0 263.429 1.543 10 0 CDAERP C[NH+]1CCC(CN2CC[NH2+]C[C@H]2c2ccccc2)CC1 ZINC000086177546 179247054 /nfs/dbraw/zinc/24/70/54/179247054.db2.gz XYAGCCGSIPZTME-KRWDZBQOSA-N 2 0 273.424 1.975 10 0 CDAERP CC[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086182492 179248107 /nfs/dbraw/zinc/24/81/07/179248107.db2.gz UQTHQGQYBPATCJ-BRWVUGGUSA-N 2 0 277.456 1.933 10 0 CDAERP CC[C@H]1CN([C@@H]2C[NH+]3CCC2CC3)[C@@H](CC)C[NH2+]1 ZINC000086182698 179248196 /nfs/dbraw/zinc/24/81/96/179248196.db2.gz XCGZBTDBQAOSLD-SOUVJXGZSA-N 2 0 251.418 1.543 10 0 CDAERP C[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1C1CC[NH+](C)CC1 ZINC000086217859 179249715 /nfs/dbraw/zinc/24/97/15/179249715.db2.gz WLPQIOWEDAGHPG-TZMCWYRMSA-N 2 0 253.434 1.789 10 0 CDAERP CC[C@H]1C[NH2+][C@H](C2CC2)CN1C[C@@H]1CC[N@H+](CC)C1 ZINC000086223029 179251031 /nfs/dbraw/zinc/25/10/31/179251031.db2.gz KBWYTIGPKDESSP-KBMXLJTQSA-N 2 0 265.445 1.791 10 0 CDAERP C[C@H]1CNC2(CCCC2)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086259084 179257168 /nfs/dbraw/zinc/25/71/68/179257168.db2.gz BHQMEUWRKVPPPI-AWEZNQCLSA-N 2 0 265.445 1.935 10 0 CDAERP Cn1nnc2c1CC[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C2 ZINC000623561498 347633464 /nfs/dbraw/zinc/63/34/64/347633464.db2.gz PAINNEVLQMPNIP-VXGBXAGGSA-N 2 0 277.416 1.135 10 0 CDAERP CCN(CCC[NH+]1CCCC1)C(=O)NC/C=C/C[NH3+] ZINC000641866612 365951212 /nfs/dbraw/zinc/95/12/12/365951212.db2.gz FRYATUIVQVHABV-ONEGZZNKSA-N 2 0 268.405 1.019 10 0 CDAERP C[NH+]1CCC(CC(=O)N2CCC3(C2)CC[NH+](C)CC3)CC1 ZINC000614965333 348288708 /nfs/dbraw/zinc/28/87/08/348288708.db2.gz SVPJWZAUIJBRBT-UHFFFAOYSA-N 2 0 293.455 1.663 10 0 CDAERP O=C(C[C@H]1[NH2+]Cc2ccccc21)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000659313074 412544056 /nfs/dbraw/zinc/54/40/56/412544056.db2.gz CMKWECUKOQRUTG-NUEKZKHPSA-N 2 0 285.391 1.431 10 0 CDAERP CC1(C[N@@H+]2CC[C@H](N3CCCCC3)C2)CC[NH2+]CC1 ZINC000104184637 185917765 /nfs/dbraw/zinc/91/77/65/185917765.db2.gz GHPHJJCVJDGVEM-HNNXBMFYSA-N 2 0 265.445 1.936 10 0 CDAERP C[C@H](C(=O)N(C)CC1C[NH+](C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000618194819 349397582 /nfs/dbraw/zinc/39/75/82/349397582.db2.gz KEQRIRLQPKNYRH-FRRDWIJNSA-N 2 0 267.417 1.268 10 0 CDAERP C[C@@H]1CCC[N@H+](CCOC2CCOCC2)[C@@H]1CC[NH3+] ZINC000629534693 362959656 /nfs/dbraw/zinc/95/96/56/362959656.db2.gz ASJQJGIHUKQWRD-UKRRQHHQSA-N 2 0 270.417 1.631 10 0 CDAERP Cc1nc(C)c([C@H](C)[NH2+]CCOCCC[NH3+])s1 ZINC000629542272 362966682 /nfs/dbraw/zinc/96/66/82/362966682.db2.gz XOENTCGYIJHITB-VIFPVBQESA-N 2 0 257.403 1.776 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000629545764 362970927 /nfs/dbraw/zinc/97/09/27/362970927.db2.gz QYEFWKGEHSOGJW-RFQIPJPRSA-N 2 0 262.401 1.786 10 0 CDAERP O=C(NCC1CC[NH+](C2CC2)CC1)N[C@@H]1CCCC[NH2+]C1 ZINC000333544461 363022844 /nfs/dbraw/zinc/02/28/44/363022844.db2.gz JRCCUYQNXGCLHB-CQSZACIVSA-N 2 0 294.443 1.302 10 0 CDAERP O[C@H](C[NH2+]CCc1cccc2[nH]ccc21)C[NH+]1CCCC1 ZINC000629578557 363028658 /nfs/dbraw/zinc/02/86/58/363028658.db2.gz RAWHPOOBWTYOIA-OAHLLOKOSA-N 2 0 287.407 1.757 10 0 CDAERP CN(C)c1cc[nH+]cc1C(=O)NCC1([NH+](C)C)CCC1 ZINC000276106019 366030612 /nfs/dbraw/zinc/03/06/12/366030612.db2.gz ZMFZBAWLTVMJTE-UHFFFAOYSA-N 2 0 276.384 1.362 10 0 CDAERP CCCCC[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001660080796 1172156061 /nfs/dbraw/zinc/15/60/61/1172156061.db2.gz HSGVRUUNOQWHNT-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP c1nc2n(n1)[C@H](C[N@@H+]1CC[C@@H](C[NH+]3CCCCC3)C1)CC2 ZINC000639496713 363230178 /nfs/dbraw/zinc/23/01/78/363230178.db2.gz HIDKWRJUWWDOFH-GJZGRUSLSA-N 2 0 289.427 1.573 10 0 CDAERP C[C@H]1CC[NH2+]C[C@@H]1Nc1cc(N2CCSCC2)ncn1 ZINC000333930510 363233071 /nfs/dbraw/zinc/23/30/71/363233071.db2.gz ZEYIINPYJLPGQW-RYUDHWBXSA-N 2 0 293.440 1.440 10 0 CDAERP CC[C@@H](O)C[NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000644523117 366141041 /nfs/dbraw/zinc/14/10/41/366141041.db2.gz QSWJBMIENOPQCT-OAHLLOKOSA-N 2 0 292.427 1.084 10 0 CDAERP Cc1ccccc1-n1nccc1C[NH2+]CCOCCC[NH3+] ZINC000629677738 363327433 /nfs/dbraw/zinc/32/74/33/363327433.db2.gz GCZUBHZCVVHDFP-UHFFFAOYSA-N 2 0 288.395 1.636 10 0 CDAERP C[C@H](NC(=O)c1ccccc1CC[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000570171865 363404085 /nfs/dbraw/zinc/40/40/85/363404085.db2.gz XMRMUMWZDGIXPQ-GXTWGEPZSA-N 2 0 275.396 1.306 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000357266043 283052371 /nfs/dbraw/zinc/05/23/71/283052371.db2.gz UHAIDFKFGHEWQM-KGLIPLIRSA-N 2 0 269.433 1.517 10 0 CDAERP [NH3+][C@H]1CCC[C@@H](C(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC000336597731 356217150 /nfs/dbraw/zinc/21/71/50/356217150.db2.gz UBBRMDWHAYRBMN-CABCVRRESA-N 2 0 293.455 1.981 10 0 CDAERP CCC[C@@H]([NH3+])C(=O)NC1CCN(c2ccccn2)CC1 ZINC000037008460 356306017 /nfs/dbraw/zinc/30/60/17/356306017.db2.gz PVAZDZOVTKLMEU-CYBMUJFWSA-N 2 0 276.384 1.294 10 0 CDAERP CCC[NH+]1CCC([NH2+]C[C@@H](O)C[C@@](C)(O)C2CC2)CC1 ZINC000634638917 356618082 /nfs/dbraw/zinc/61/80/82/356618082.db2.gz YMKKAYHRAFJKOY-JKSUJKDBSA-N 2 0 284.444 1.362 10 0 CDAERP COC(=O)C1CC[NH+](C2CCC3(C[C@H]3[NH3+])CC2)CC1 ZINC000725270447 538461311 /nfs/dbraw/zinc/46/13/11/538461311.db2.gz NBBMHQJJMCGKGE-JVWICGRDSA-N 2 0 266.385 1.531 10 0 CDAERP CCC[NH+](CCC)CCCNC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000417467503 283213161 /nfs/dbraw/zinc/21/31/61/283213161.db2.gz MBXJBOIQIVPUFY-STQMWFEESA-N 2 0 272.437 1.533 10 0 CDAERP Cc1nn(C)c2ncc(C[NH2+]CCCC[NH+](C)C)cc12 ZINC000070165408 356849718 /nfs/dbraw/zinc/84/97/18/356849718.db2.gz LWZSOASSKYNSAP-UHFFFAOYSA-N 2 0 275.400 1.708 10 0 CDAERP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@]2(O)CCCOC2)C1 ZINC000659976690 412651578 /nfs/dbraw/zinc/65/15/78/412651578.db2.gz USHUWTLKTXDPLT-GJZGRUSLSA-N 2 0 270.417 1.192 10 0 CDAERP CCCC[N@H+](CC)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001660501666 1172222010 /nfs/dbraw/zinc/22/20/10/1172222010.db2.gz DAZMFOAGPRQDPM-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP CC1CC[NH+](CC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000634743303 358185605 /nfs/dbraw/zinc/18/56/05/358185605.db2.gz PKKAFFSHYPGGLN-IYBDPMFKSA-N 2 0 279.428 1.176 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)CCC1CC[NH2+]CC1)C2 ZINC000634744830 358194698 /nfs/dbraw/zinc/19/46/98/358194698.db2.gz MFHGWANXVGAJJB-IYBDPMFKSA-N 2 0 279.428 1.224 10 0 CDAERP C[C@@H]1C[C@H](C[NH3+])CN1CC(=O)Nc1cc(F)cc(F)c1 ZINC000131770169 358345428 /nfs/dbraw/zinc/34/54/28/358345428.db2.gz NIXOYOBZKRIFPX-NXEZZACHSA-N 2 0 283.322 1.572 10 0 CDAERP O=C(C[C@@H]1CCC[NH2+]C1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000062973541 358814927 /nfs/dbraw/zinc/81/49/27/358814927.db2.gz YLXNHCPICPGTPW-LSDHHAIUSA-N 2 0 279.428 1.463 10 0 CDAERP C[C@@H](CNC(=O)C[C@H]1CCC[NH2+]C1)C[NH+]1CCCC1 ZINC000062076562 358800357 /nfs/dbraw/zinc/80/03/57/358800357.db2.gz FVMLUCJOFWQDHL-UONOGXRCSA-N 2 0 267.417 1.224 10 0 CDAERP CC[C@H](C)[N@H+](C)CCN[C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261908854 359085767 /nfs/dbraw/zinc/08/57/67/359085767.db2.gz IQRZPWQIDPHMSX-JONQDZQNSA-N 2 0 283.460 1.463 10 0 CDAERP CC[NH+](CC)[C@@H](C)CNC(=O)NCC[NH+]1CCCCC1 ZINC000078988368 359095888 /nfs/dbraw/zinc/09/58/88/359095888.db2.gz TXULFVKJFHHXMR-AWEZNQCLSA-N 2 0 284.448 1.502 10 0 CDAERP C[C@H](CCN[C@@H]1CC[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000379650432 359636588 /nfs/dbraw/zinc/63/65/88/359636588.db2.gz RWVMHXHMPSGRPA-GDBMZVCRSA-N 2 0 261.413 1.849 10 0 CDAERP C[C@H](CN[C@H](C1CC1)[C@H]1C[NH2+]CCO1)[N@@H+]1CCCC[C@H]1C ZINC000422857835 359662760 /nfs/dbraw/zinc/66/27/60/359662760.db2.gz IDUJRSQWXVCCIB-MUIFIZLQSA-N 2 0 295.471 1.606 10 0 CDAERP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000237412638 359703138 /nfs/dbraw/zinc/70/31/38/359703138.db2.gz FLAVWGBEFKOFTB-AVGNSLFASA-N 2 0 253.390 1.057 10 0 CDAERP CC(C)[NH+](CCCN[C@H](C1CC1)[C@@H]1C[NH2+]CCO1)C(C)C ZINC000423000901 359708600 /nfs/dbraw/zinc/70/86/00/359708600.db2.gz CWTPZNLQHXVDGF-DLBZAZTESA-N 2 0 297.487 1.852 10 0 CDAERP COc1ccc([C@H](N[C@H](C)[C@@H](C)[NH3+])[C@@H]2CCC[NH2+]2)cc1 ZINC000423486046 359815008 /nfs/dbraw/zinc/81/50/08/359815008.db2.gz ZMLBOUMJBAOKFT-MPTQWLOMSA-N 2 0 277.412 1.814 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000062972571 360037330 /nfs/dbraw/zinc/03/73/30/360037330.db2.gz PNEDLXONDBCVIP-MELADBBJSA-N 2 0 267.417 1.447 10 0 CDAERP C[C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1[NH3+] ZINC000335379303 360128883 /nfs/dbraw/zinc/12/88/83/360128883.db2.gz IPJJVEFONVCXRT-FZMZJTMJSA-N 2 0 261.369 1.167 10 0 CDAERP C[NH+]1CCC(C(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000335384250 360134438 /nfs/dbraw/zinc/13/44/38/360134438.db2.gz JGAQBXWRMAEPIE-UHFFFAOYSA-N 2 0 279.428 1.461 10 0 CDAERP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)C[C@H]1CCC[NH2+]1 ZINC000335430597 360170142 /nfs/dbraw/zinc/17/01/42/360170142.db2.gz RYKDPPUDVUFMRI-UKRRQHHQSA-N 2 0 273.380 1.213 10 0 CDAERP O=C(c1ccc2c[nH+]cn2c1)N1CCC2(CC[NH2+]C2)CC1 ZINC000335432174 360172141 /nfs/dbraw/zinc/17/21/41/360172141.db2.gz CLXQSPLZJBFSKB-UHFFFAOYSA-N 2 0 284.363 1.550 10 0 CDAERP C[C@H](CC(=O)N1CCC2(CC[NH2+]2)CC1)C1CC[NH2+]CC1 ZINC000335407701 360228903 /nfs/dbraw/zinc/22/89/03/360228903.db2.gz VGECWJIUSXFUCH-CYBMUJFWSA-N 2 0 279.428 1.367 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C3CC3)C[C@H](C)C2)C1 ZINC000566456522 360290421 /nfs/dbraw/zinc/29/04/21/360290421.db2.gz NCVNTTUZGTYIRY-KBPBESRZSA-N 2 0 279.428 1.271 10 0 CDAERP O=C(C[C@H]1CCC[NH2+]C1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000054308217 360451747 /nfs/dbraw/zinc/45/17/47/360451747.db2.gz XWXLBHDDRBDHAX-HUUCEWRRSA-N 2 0 279.428 1.463 10 0 CDAERP C[N@@H+]1CC[C@H](NC[C@@H]2CCCC[NH2+]2)[C@H]2CCC[C@@H]21 ZINC000643502715 360474146 /nfs/dbraw/zinc/47/41/46/360474146.db2.gz OPODIAUTAZXRBM-XGUBFFRZSA-N 2 0 251.418 1.591 10 0 CDAERP O=C(C[C@@H]1CCC[NH2+]C1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000054308216 360453147 /nfs/dbraw/zinc/45/31/47/360453147.db2.gz XWXLBHDDRBDHAX-GJZGRUSLSA-N 2 0 279.428 1.463 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@@H]2CCSC2)CC1 ZINC000365875106 360501203 /nfs/dbraw/zinc/50/12/03/360501203.db2.gz FUKRLMJAXVVHJL-JKSUJKDBSA-N 2 0 297.512 1.841 10 0 CDAERP CC1CC[NH+](CCCNC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000626925532 360641617 /nfs/dbraw/zinc/64/16/17/360641617.db2.gz OFIIQSBPQVOSDY-GJZGRUSLSA-N 2 0 296.459 1.548 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000626947499 360686906 /nfs/dbraw/zinc/68/69/06/360686906.db2.gz ULHGSUCNAAUARK-MCIONIFRSA-N 2 0 282.432 1.158 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000626951569 360695785 /nfs/dbraw/zinc/69/57/85/360695785.db2.gz ASTWZNCXKUBROJ-CWRNSKLLSA-N 2 0 296.459 1.358 10 0 CDAERP C[C@H]1C[C@@H](N(C)C(=O)C(C)(C)N2CCOCC2)CC[N@@H+]1C ZINC000338184512 360753027 /nfs/dbraw/zinc/75/30/27/360753027.db2.gz CAMLTNZSOZEMTO-KBPBESRZSA-N 2 0 297.443 1.038 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCOC1 ZINC000643802513 360853729 /nfs/dbraw/zinc/85/37/29/360853729.db2.gz JZDMAYUSXGIELL-CYBMUJFWSA-N 2 0 258.325 1.454 10 0 CDAERP C[C@H](NC[C@H](c1ccccc1)[NH+](C)C)[C@H]1CC[NH2+]C1 ZINC000400735259 299316448 /nfs/dbraw/zinc/31/64/48/299316448.db2.gz RRBGOHSRDLYZJI-CWRNSKLLSA-N 2 0 261.413 1.877 10 0 CDAERP C[N@H+](CCCO)C1CC[NH+](CC2(C)CCC2)CC1 ZINC000432834080 361195767 /nfs/dbraw/zinc/19/57/67/361195767.db2.gz HBQFJSOQSYHZHR-UHFFFAOYSA-N 2 0 254.418 1.955 10 0 CDAERP C[NH2+][C@@H]1CCN(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)C1 ZINC000417537227 283661912 /nfs/dbraw/zinc/66/19/12/283661912.db2.gz RZPXNLFXOCLBKH-MELADBBJSA-N 2 0 282.432 1.253 10 0 CDAERP Cc1nccn1CCC[N@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000351488606 361709781 /nfs/dbraw/zinc/70/97/81/361709781.db2.gz AYTXXKDDEHUFFV-DABQJJPHSA-N 2 0 251.374 1.815 10 0 CDAERP CCC[NH+]1CCC([N@H+](C)CCOCC(=O)OCC)CC1 ZINC000351518813 361733110 /nfs/dbraw/zinc/73/31/10/361733110.db2.gz MZEGOVHRQORUGZ-UHFFFAOYSA-N 2 0 286.416 1.372 10 0 CDAERP CC[NH2+]Cc1ccccc1NC(=O)[C@H]1[NH2+]CC1(C)C ZINC000644097290 363870026 /nfs/dbraw/zinc/87/00/26/363870026.db2.gz DBGMWGYYKAMWFB-CYBMUJFWSA-N 2 0 261.369 1.733 10 0 CDAERP CN1CC[C@@H](NC(=O)C2([NH3+])CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000336632455 363901460 /nfs/dbraw/zinc/90/14/60/363901460.db2.gz OTPORBUGYZVAGU-OLZOCXBDSA-N 2 0 293.798 1.693 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+]2CCCC[C@@H]2C)C1 ZINC000572661039 364094397 /nfs/dbraw/zinc/09/43/97/364094397.db2.gz ZRINQKWTMVJGCU-KGLIPLIRSA-N 2 0 267.417 1.319 10 0 CDAERP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H]2CCC(=O)NC2(C)C)C1 ZINC000459725236 364271541 /nfs/dbraw/zinc/27/15/41/364271541.db2.gz BFFGMMUNAXFUSF-STQMWFEESA-N 2 0 267.417 1.365 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)C[NH+](C)C2CCC2)CC[N@@H+]1C ZINC000629963969 364279768 /nfs/dbraw/zinc/27/97/68/364279768.db2.gz YUPQDKZGUZTELI-TZMCWYRMSA-N 2 0 267.417 1.412 10 0 CDAERP C[N@H+](CC(=O)N1CCC(C[NH+]2CCCC2)CC1)C1CCC1 ZINC000629963930 364280252 /nfs/dbraw/zinc/28/02/52/364280252.db2.gz YCZUWAXOESIYPN-UHFFFAOYSA-N 2 0 293.455 1.805 10 0 CDAERP C(C[NH+]1CCCC1)C[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000161804452 364544064 /nfs/dbraw/zinc/54/40/64/364544064.db2.gz ZLQKLNSLFZRGGH-QGZVFWFLSA-N 2 0 295.471 1.659 10 0 CDAERP CC[C@H](Cn1cncn1)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000353421782 365195633 /nfs/dbraw/zinc/19/56/33/365195633.db2.gz AMNZZZVWESAKDD-CYBMUJFWSA-N 2 0 277.416 1.663 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CC[C@H]1CCC[NH2+]C1 ZINC000251738036 366876212 /nfs/dbraw/zinc/87/62/12/366876212.db2.gz KRLUOTWEWCJPPV-KFWWJZLASA-N 2 0 279.428 1.461 10 0 CDAERP C[C@@H](NC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)[C@H](C)[NH3+] ZINC000418114234 296081508 /nfs/dbraw/zinc/08/15/08/296081508.db2.gz LJKOKUPQWBMLFR-LOWVWBTDSA-N 2 0 268.405 1.038 10 0 CDAERP CCC[C@H]([NH3+])C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000037770617 283888465 /nfs/dbraw/zinc/88/84/65/283888465.db2.gz YXSSACSDJKDZJM-LBPRGKRZSA-N 2 0 255.406 1.493 10 0 CDAERP CCC(CC)[C@H](CN[C@H](C)[C@@H]1CC[NH2+]C1)[NH+](C)C ZINC000400330256 366950077 /nfs/dbraw/zinc/95/00/77/366950077.db2.gz BRHIYPNFFVKMCU-YUELXQCFSA-N 2 0 255.450 1.940 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCC[NH+](C)C1 ZINC000357420353 366986095 /nfs/dbraw/zinc/98/60/95/366986095.db2.gz RSTOETRJHYDLKB-ZIAGYGMSSA-N 2 0 267.417 1.413 10 0 CDAERP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000414791268 241390217 /nfs/dbraw/zinc/39/02/17/241390217.db2.gz BDNAJQWUJRFGNU-GDBMZVCRSA-N 2 0 285.395 1.874 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000626987201 367152333 /nfs/dbraw/zinc/15/23/33/367152333.db2.gz AABWGWZWSAKGTF-UKRRQHHQSA-N 2 0 296.459 1.548 10 0 CDAERP Cc1nn(C)c(C)c1C[C@H](C)[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000415101594 241569186 /nfs/dbraw/zinc/56/91/86/241569186.db2.gz IWODHUXMKYORRM-SLEUVZQESA-N 2 0 278.444 1.946 10 0 CDAERP CC[N@H+](C)C[C@@H](O)CN1CCOCC12CCCCC2 ZINC000566982496 370855004 /nfs/dbraw/zinc/85/50/04/370855004.db2.gz WLCANZHTRMJXGM-CQSZACIVSA-N 2 0 270.417 1.334 10 0 CDAERP CC(C)[NH+](CCCNC(=O)N[C@@H]1CC[NH2+][C@H]1C)C(C)C ZINC000626992427 367190454 /nfs/dbraw/zinc/19/04/54/367190454.db2.gz TVEICCGETWNCNW-UONOGXRCSA-N 2 0 284.448 1.545 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627038635 367280912 /nfs/dbraw/zinc/28/09/12/367280912.db2.gz PMMQMIUMBNPDTR-BFHYXJOUSA-N 2 0 284.448 1.547 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCC1([NH3+])CCCCC1)C2 ZINC000627069635 367340133 /nfs/dbraw/zinc/34/01/33/367340133.db2.gz WXDJDXWJIVJLRC-GASCZTMLSA-N 2 0 294.443 1.289 10 0 CDAERP CCn1ccnc1[C@H](C)NC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627053145 367311028 /nfs/dbraw/zinc/31/10/28/367311028.db2.gz YSGWNIXKJWGOOL-GRYCIOLGSA-N 2 0 279.388 1.404 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000627113303 367466579 /nfs/dbraw/zinc/46/65/79/367466579.db2.gz VLBXUVXMXXHHPG-CRWXNKLISA-N 2 0 280.416 1.053 10 0 CDAERP CC[NH+]1CCC(NC(=O)NCC[N@H+]2CC=C(C)CC2)CC1 ZINC000358179567 367494382 /nfs/dbraw/zinc/49/43/82/367494382.db2.gz ATTQSYKQOXYPEE-UHFFFAOYSA-N 2 0 294.443 1.422 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000416451196 242011493 /nfs/dbraw/zinc/01/14/93/242011493.db2.gz ZBFLLINLSGGJRF-SDDRHHMPSA-N 2 0 296.440 1.482 10 0 CDAERP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627205990 367702979 /nfs/dbraw/zinc/70/29/79/367702979.db2.gz GFRORDPQSVSPTF-FVCCEPFGSA-N 2 0 268.405 1.038 10 0 CDAERP C[NH2+]CCC1CCN(C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627210580 367710516 /nfs/dbraw/zinc/71/05/16/367710516.db2.gz RSTADLIOYVJYLU-GXTWGEPZSA-N 2 0 282.432 1.158 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000627240513 367805880 /nfs/dbraw/zinc/80/58/80/367805880.db2.gz YVIBXWOFBOGNDB-DZGCQCFKSA-N 2 0 294.443 1.397 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000627240648 367805918 /nfs/dbraw/zinc/80/59/18/367805918.db2.gz UOFKRDQKLRJAGL-BFHYXJOUSA-N 2 0 282.432 1.110 10 0 CDAERP COCCN(C)c1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cn1 ZINC000414943654 370875855 /nfs/dbraw/zinc/87/58/55/370875855.db2.gz OEIHSTOVPZZJKI-UKRRQHHQSA-N 2 0 292.427 1.252 10 0 CDAERP CC[NH2+][C@@H](C)C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000638054297 367838521 /nfs/dbraw/zinc/83/85/21/367838521.db2.gz NNUXSCFIJFYBTQ-GXTWGEPZSA-N 2 0 263.385 1.404 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000627243555 367840332 /nfs/dbraw/zinc/84/03/32/367840332.db2.gz MJTICASJDINICA-FQUUOJAGSA-N 2 0 280.416 1.005 10 0 CDAERP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418405019 243035704 /nfs/dbraw/zinc/03/57/04/243035704.db2.gz ASABMYJSZKRIJU-AEGPPILISA-N 2 0 290.411 1.598 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000418460441 243106797 /nfs/dbraw/zinc/10/67/97/243106797.db2.gz KCJWNNXAAOKPOO-TYNCELHUSA-N 2 0 290.411 1.504 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[C@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000418545854 243201119 /nfs/dbraw/zinc/20/11/19/243201119.db2.gz GUXLUDZECMMIEK-ZNMIVQPWSA-N 2 0 296.459 1.500 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)N[C@H](C[NH3+])C2CCCC2)CC[N@@H+]1C ZINC000418586850 243242964 /nfs/dbraw/zinc/24/29/64/243242964.db2.gz FZGDPYAOQPKKPE-BPLDGKMQSA-N 2 0 296.459 1.628 10 0 CDAERP CCN(CCC[NH+](CC)CC)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000418575144 243229053 /nfs/dbraw/zinc/22/90/53/243229053.db2.gz MTXXGAIMHHAXMP-CABCVRRESA-N 2 0 298.475 1.748 10 0 CDAERP C[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1c[nH+]ccc1N ZINC000423079020 296123338 /nfs/dbraw/zinc/12/33/38/296123338.db2.gz XGKSIVHTZAFEOW-UONOGXRCSA-N 2 0 292.427 1.646 10 0 CDAERP CN1CC[C@@H]([NH2+]CCC[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000420399859 244202520 /nfs/dbraw/zinc/20/25/20/244202520.db2.gz IIFKNSUBQDGYOU-KGLIPLIRSA-N 2 0 269.339 1.648 10 0 CDAERP C[C@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)C[NH+]1CCCC1 ZINC000170831925 369525677 /nfs/dbraw/zinc/52/56/77/369525677.db2.gz WAQPNMGOLXHCMA-KGLIPLIRSA-N 2 0 282.432 1.064 10 0 CDAERP OCCC1(C[NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000547656564 369599548 /nfs/dbraw/zinc/59/95/48/369599548.db2.gz FIPZRAJYIRKWJV-UHFFFAOYSA-N 2 0 252.402 1.613 10 0 CDAERP CC[N@@H+]1CC[C@@H](C[NH2+]C2CCN(C(=O)N(C)C)CC2)C1 ZINC000135121259 369637213 /nfs/dbraw/zinc/63/72/13/369637213.db2.gz AXUZQHAOOFNPPL-ZDUSSCGKSA-N 2 0 282.432 1.064 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638401160 369751707 /nfs/dbraw/zinc/75/17/07/369751707.db2.gz POMPUKSNUIDBML-WCQYABFASA-N 2 0 265.401 1.271 10 0 CDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC[C@H]2CCCO2)CC1 ZINC000249511174 370157867 /nfs/dbraw/zinc/15/78/67/370157867.db2.gz ZZZMLZTYBMNRBR-GDBMZVCRSA-N 2 0 284.444 1.580 10 0 CDAERP CCC[C@](C)([NH3+])C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000371232736 370219303 /nfs/dbraw/zinc/21/93/03/370219303.db2.gz UPSMLWKPMDJBAM-GUTXKFCHSA-N 2 0 267.417 1.495 10 0 CDAERP CSCC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371292867 370242716 /nfs/dbraw/zinc/24/27/16/370242716.db2.gz DQRLNTHXGXLRGE-YNEHKIRRSA-N 2 0 258.431 1.533 10 0 CDAERP O=C(NC1CC[NH+](C2CC2)CC1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000252416124 370204272 /nfs/dbraw/zinc/20/42/72/370204272.db2.gz SJBNIHQHVQUCJL-MAZHCROVSA-N 2 0 291.439 1.650 10 0 CDAERP CC1(NC(=O)NCC2([NH3+])CCCCCC2)CC[NH2+]CC1 ZINC000418281934 370445270 /nfs/dbraw/zinc/44/52/70/370445270.db2.gz FURKPWBLBKBQKW-UHFFFAOYSA-N 2 0 282.432 1.479 10 0 CDAERP Cc1c(Cl)c(C[NH2+]CC[C@@H]2CC[NH2+]C2)nn1C ZINC000422557407 245109771 /nfs/dbraw/zinc/10/97/71/245109771.db2.gz WAXKATVYUDRJPM-JTQLQIEISA-N 2 0 256.781 1.471 10 0 CDAERP CC(C)OC[C@@H](O)C[NH2+][C@@H](C)C(C)(C)C[NH+](C)C ZINC000566114590 370614238 /nfs/dbraw/zinc/61/42/38/370614238.db2.gz CDNMJKALRDFLDR-STQMWFEESA-N 2 0 260.422 1.338 10 0 CDAERP C[C@H]1CC[NH2+]C[C@H]1NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000422743110 245203233 /nfs/dbraw/zinc/20/32/33/245203233.db2.gz HXUJXCTYKOFTOC-BLLLJJGKSA-N 2 0 279.403 1.975 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCN1CCc2sccc2C1 ZINC000422728472 245185718 /nfs/dbraw/zinc/18/57/18/245185718.db2.gz ABMDMSPLDMSHMN-AWEZNQCLSA-N 2 0 297.468 1.450 10 0 CDAERP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCCN1CCCC1=O ZINC000422754882 245217660 /nfs/dbraw/zinc/21/76/60/245217660.db2.gz AZSZHBZTCAGDMY-STQMWFEESA-N 2 0 253.390 1.249 10 0 CDAERP Cc1cc(C)n2c(C[NH2+]CCC[C@@H]3CCC[NH2+]3)cnc2n1 ZINC000414976877 371261737 /nfs/dbraw/zinc/26/17/37/371261737.db2.gz QNTAVAFVPACLJR-CQSZACIVSA-N 2 0 287.411 1.968 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)[C@H](CC)[NH2+]C)CC1 ZINC000662430959 541853469 /nfs/dbraw/zinc/85/34/69/541853469.db2.gz FNBDKVJHBHYRGJ-ZDUSSCGKSA-N 2 0 255.406 1.223 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000377939833 371757390 /nfs/dbraw/zinc/75/73/90/371757390.db2.gz KBXBSERCTHNCGI-HNNXBMFYSA-N 2 0 293.455 1.805 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCN[C@H](C)c1c[nH+]ccc1N ZINC000422911715 245399073 /nfs/dbraw/zinc/39/90/73/245399073.db2.gz ULRIJHIWSBYRJP-VXGBXAGGSA-N 2 0 250.390 1.875 10 0 CDAERP CC(C)[N@H+]1C[C@H](NC(=O)C2CC[NH+](C3CC3)CC2)[C@@H](C)C1 ZINC000192708448 372041268 /nfs/dbraw/zinc/04/12/68/372041268.db2.gz VWMLFTIQGXRGLK-BBRMVZONSA-N 2 0 293.455 1.706 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000333303332 205199971 /nfs/dbraw/zinc/19/99/71/205199971.db2.gz JEMNXTLEXRQGKV-UKRRQHHQSA-N 2 0 296.459 1.406 10 0 CDAERP [NH3+]C1CCC([NH2+][C@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000333342044 205234364 /nfs/dbraw/zinc/23/43/64/205234364.db2.gz YHZOLSXYWBVLLO-RUXDESIVSA-N 2 0 273.380 1.651 10 0 CDAERP C[C@H](Cc1ccccc1)[NH+]1CCC(NCC[NH3+])CC1 ZINC000423189148 245649624 /nfs/dbraw/zinc/64/96/24/245649624.db2.gz QIWADDRQDMYCLE-CQSZACIVSA-N 2 0 261.413 1.630 10 0 CDAERP Fc1ccc([C@H]([NH2+]CCN2CC[NH2+]CC2)C2CC2)cc1 ZINC000423201517 245662221 /nfs/dbraw/zinc/66/22/21/245662221.db2.gz IQVFNNCQUYOEGE-MRXNPFEDSA-N 2 0 277.387 1.772 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H](C[NH2+]CCF)C1 ZINC001661794554 1172446990 /nfs/dbraw/zinc/44/69/90/1172446990.db2.gz ZILMJZLIDOJFLD-HUUCEWRRSA-N 2 0 299.434 1.659 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)NC[C@H](C)C[NH2+]C)CC1 ZINC000418392352 373610750 /nfs/dbraw/zinc/61/07/50/373610750.db2.gz PYVAWJVIGLMYRW-CQSZACIVSA-N 2 0 298.475 1.605 10 0 CDAERP O=C1[C@@H]([NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)CCN1C1CCC1 ZINC000631827209 373714206 /nfs/dbraw/zinc/71/42/06/373714206.db2.gz IIWOBPFJPSFUDY-HOTGVXAUSA-N 2 0 291.439 1.604 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]2CN(Cc3nc(C4CCC4)no3)C[C@H]21 ZINC000631824011 373708277 /nfs/dbraw/zinc/70/82/77/373708277.db2.gz SVKSHOJNYNNCLN-JHJVBQTASA-N 2 0 276.384 1.896 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCN(C2CCCCC2)C1=O ZINC000643467726 373966597 /nfs/dbraw/zinc/96/65/97/373966597.db2.gz XIXLFTDLQPSSST-UKRRQHHQSA-N 2 0 297.443 1.264 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000418562157 374410637 /nfs/dbraw/zinc/41/06/37/374410637.db2.gz TYVCFMJADJOJKR-KBXIAJHMSA-N 2 0 294.443 1.110 10 0 CDAERP CC[NH2+][C@H](C)CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000418603516 374420892 /nfs/dbraw/zinc/42/08/92/374420892.db2.gz OSQKNYJWFGFIDO-UPJWGTAASA-N 2 0 270.421 1.109 10 0 CDAERP CC[NH+]1CCN(CCCC[NH2+]Cc2cc(C)no2)CC1 ZINC000631043058 374646316 /nfs/dbraw/zinc/64/63/16/374646316.db2.gz ZPAIXRWSYHICJW-UHFFFAOYSA-N 2 0 280.416 1.490 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)CC[N@@H+]1C ZINC000425057582 374783307 /nfs/dbraw/zinc/78/33/07/374783307.db2.gz BAHHSWHWSQAZKW-ZQDZILKHSA-N 2 0 279.428 1.269 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCCN[C@@H]1CCC[NH2+]CC1 ZINC000128854830 375157096 /nfs/dbraw/zinc/15/70/96/375157096.db2.gz OXLGHPHUOJIEPH-LSDHHAIUSA-N 3 0 253.434 1.983 10 0 CDAERP CC(C)[C@@H](CN[C@H]1CCC[NH2+]CC1)[NH+]1CCCC1 ZINC000128920956 375163038 /nfs/dbraw/zinc/16/30/38/375163038.db2.gz CWERFXPDSRVYDW-LSDHHAIUSA-N 2 0 253.434 1.839 10 0 CDAERP CCC[C@H](CCO)[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000631669928 375281641 /nfs/dbraw/zinc/28/16/41/375281641.db2.gz SCPZVQCOPZIWMK-BARDWOONSA-N 2 0 254.418 2.000 10 0 CDAERP C[NH2+]C(C)(C)CNC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000415966165 375490822 /nfs/dbraw/zinc/49/08/22/375490822.db2.gz VTEMYFXTXGPYSQ-NSHDSACASA-N 2 0 291.399 1.017 10 0 CDAERP C[C@H](CNC(=O)N[C@@H](C)[C@H](C)[NH3+])[N@@H+]1CCC[C@@H](C)C1 ZINC000417024574 375710362 /nfs/dbraw/zinc/71/03/62/375710362.db2.gz XJDWGDCKYLSJRT-NDBYEHHHSA-N 2 0 270.421 1.142 10 0 CDAERP C[C@@H](C[NH3+])N(C)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000417182469 375737933 /nfs/dbraw/zinc/73/79/33/375737933.db2.gz JEQIUFVQZDAJSZ-ZFWWWQNUSA-N 2 0 292.427 1.148 10 0 CDAERP C[NH2+]CCC1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000417288789 375746276 /nfs/dbraw/zinc/74/62/76/375746276.db2.gz RYAAGQKHKMZEAU-AWEZNQCLSA-N 2 0 282.432 1.112 10 0 CDAERP C[C@H](CNC(=O)NCCC[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000417339443 375788063 /nfs/dbraw/zinc/78/80/63/375788063.db2.gz LBKRKFNJROLWAW-CYBMUJFWSA-N 2 0 290.411 1.081 10 0 CDAERP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH+]2C)C[C@H]1N1CCOCC1 ZINC000245635149 376123435 /nfs/dbraw/zinc/12/34/35/376123435.db2.gz REGXEDOGAYLOML-OWCLPIDISA-N 2 0 281.444 1.123 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)CC[C@@H](C)[NH3+])CC1 ZINC000638976015 376322512 /nfs/dbraw/zinc/32/25/12/376322512.db2.gz SHMXCRIXIISJDS-GFCCVEGCSA-N 2 0 255.406 1.447 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000638976032 376323131 /nfs/dbraw/zinc/32/31/31/376323131.db2.gz STERSQCCYIBFEG-LBPRGKRZSA-N 2 0 253.390 1.071 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)C[NH2+]C2CC2)CC1 ZINC000638976352 376325072 /nfs/dbraw/zinc/32/50/72/376325072.db2.gz XJEFXNDBRNZYQN-UHFFFAOYSA-N 2 0 253.390 1.071 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@H]2CC[NH2+][C@@H]2C)CC1 ZINC000638975228 376326458 /nfs/dbraw/zinc/32/64/58/376326458.db2.gz HGNMEGOLAYTUIV-OLZOCXBDSA-N 2 0 267.417 1.317 10 0 CDAERP COCCOCC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420409378 376348838 /nfs/dbraw/zinc/34/88/38/376348838.db2.gz XATHJFTXZKDMHW-ZIAGYGMSSA-N 2 0 256.390 1.113 10 0 CDAERP c1nc2n(n1)[C@H](C[N@@H+]1CCC[C@H]([C@@H]3CCC[NH2+]3)C1)CC2 ZINC000631823220 376647675 /nfs/dbraw/zinc/64/76/75/376647675.db2.gz ZARCTPVGXKTQDP-IHRRRGAJSA-N 2 0 275.400 1.229 10 0 CDAERP C[NH2+]C[C@H]1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000574754528 295049422 /nfs/dbraw/zinc/04/94/22/295049422.db2.gz DIENFRVJYGVXSL-KGLIPLIRSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC[N@@H+]1C ZINC000251734654 377238670 /nfs/dbraw/zinc/23/86/70/377238670.db2.gz CNSXYHBIBRSDHB-YVECIDJPSA-N 2 0 253.390 1.103 10 0 CDAERP CC(C)[NH2+]CCC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000571685638 377239494 /nfs/dbraw/zinc/23/94/94/377239494.db2.gz WHSONXVRVCDTRN-OAHLLOKOSA-N 2 0 275.396 1.459 10 0 CDAERP CC[NH+](CC)CCCN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000248998667 377377622 /nfs/dbraw/zinc/37/76/22/377377622.db2.gz IFIKOODFZPXWEO-HUUCEWRRSA-N 2 0 253.434 1.887 10 0 CDAERP C[C@@H]1C[NH2+]CCN1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000334887453 377678964 /nfs/dbraw/zinc/67/89/64/377678964.db2.gz GOLSAUZCAMJUNB-GFCCVEGCSA-N 2 0 282.432 1.253 10 0 CDAERP C[C@]1(C(=O)NC2CC([NH+]3CCCCC3)C2)CCC[NH2+]C1 ZINC000335032540 377780513 /nfs/dbraw/zinc/78/05/13/377780513.db2.gz ZWGYSNWAPNLENB-XUJLQICISA-N 2 0 279.428 1.509 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000091549030 377896054 /nfs/dbraw/zinc/89/60/54/377896054.db2.gz RWEWEVGLWGCGTG-CHWSQXEVSA-N 2 0 255.406 1.160 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)CC[C@@H](C)[NH3+])C1 ZINC000193305817 378290055 /nfs/dbraw/zinc/29/00/55/378290055.db2.gz LYCHMFBCTWORQA-CHWSQXEVSA-N 2 0 255.406 1.350 10 0 CDAERP CCCNC(=O)CCC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662325211 412897513 /nfs/dbraw/zinc/89/75/13/412897513.db2.gz CVDOPJUGVUWZJW-HNNXBMFYSA-N 2 0 299.459 1.335 10 0 CDAERP Cc1ncc(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)cn1 ZINC000657574017 412906338 /nfs/dbraw/zinc/90/63/38/412906338.db2.gz SVGGZQFSPIYTAB-ZDUSSCGKSA-N 2 0 279.432 1.147 10 0 CDAERP CC(C)[C@H]1CN(C(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CC[N@@H+]1C ZINC000634300713 379358036 /nfs/dbraw/zinc/35/80/36/379358036.db2.gz JAFRYTWQEMFVLJ-IIAWOOMASA-N 2 0 281.444 1.693 10 0 CDAERP CC(C)[C@H]1CN(C(=O)[C@H]2C[C@]23CCC[NH2+]C3)CC[N@@H+]1C ZINC000634300657 379359653 /nfs/dbraw/zinc/35/96/53/379359653.db2.gz HAOWBNVUZJBANF-FMKPAKJESA-N 2 0 279.428 1.175 10 0 CDAERP CC1(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)COC1 ZINC000657595369 412920506 /nfs/dbraw/zinc/92/05/06/412920506.db2.gz HHYAEEJYXIMHGN-INIZCTEOSA-N 2 0 290.407 1.379 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)c1c[nH+]ccc1N(C)C ZINC000276221672 284887774 /nfs/dbraw/zinc/88/77/74/284887774.db2.gz MMCXJYNSAWPHCD-UHFFFAOYSA-N 2 0 278.400 1.561 10 0 CDAERP CCC[NH2+][C@@H]1CCCN(C[C@@H]2CC[N@H+](CC)C2)C1=O ZINC000071041045 184574773 /nfs/dbraw/zinc/57/47/73/184574773.db2.gz BSUDHKCGLJUCGR-ZIAGYGMSSA-N 2 0 267.417 1.319 10 0 CDAERP Cc1ccncc1C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000280210577 194750328 /nfs/dbraw/zinc/75/03/28/194750328.db2.gz IERYSGFDAMJWQA-UHFFFAOYSA-N 2 0 277.412 1.715 10 0 CDAERP O[C@H]1C[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C12CCC2 ZINC000657710855 412996582 /nfs/dbraw/zinc/99/65/82/412996582.db2.gz YAMBEZYDRBWFOL-CABCVRRESA-N 2 0 284.363 1.660 10 0 CDAERP CO[C@H]1C[C@@H]([NH+](C)C/C=C/C[N@@H+](C)[C@H]2C[C@@H](OC)C2)C1 ZINC000510110659 254107690 /nfs/dbraw/zinc/10/76/90/254107690.db2.gz ZZBZHPPSZSJURF-ZFBIZUAJSA-N 2 0 282.428 1.761 10 0 CDAERP CC[NH+]1CCC(CC[NH2+][C@@H](C)C[C@@H]2COCCN2)CC1 ZINC000422781365 285184839 /nfs/dbraw/zinc/18/48/39/285184839.db2.gz IQKYKKRQLJYVSL-GOEBONIOSA-N 2 0 283.460 1.465 10 0 CDAERP CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCC[NH+]2C)C1 ZINC000337648395 285262896 /nfs/dbraw/zinc/26/28/96/285262896.db2.gz JSFDQMDDDFCHOZ-KGLIPLIRSA-N 2 0 282.432 1.112 10 0 CDAERP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000646944071 390304790 /nfs/dbraw/zinc/30/47/90/390304790.db2.gz ZNTYSASKAZUPCV-JHJVBQTASA-N 2 0 267.417 1.316 10 0 CDAERP CC[C@H]1CN(C(=O)c2ccc(C[NH3+])cc2)CC[C@H]1[NH3+] ZINC000647015589 390355132 /nfs/dbraw/zinc/35/51/32/390355132.db2.gz VFJYVFDVAWQWRB-GXTWGEPZSA-N 2 0 261.369 1.345 10 0 CDAERP C[NH+]1CCC(C[NH2+]Cc2ccnn2-c2ccccn2)CC1 ZINC000647180185 390825601 /nfs/dbraw/zinc/82/56/01/390825601.db2.gz LAFNJMWWLOBEJK-UHFFFAOYSA-N 2 0 285.395 1.699 10 0 CDAERP C[C@@H](c1ccccc1Cl)N1CCN(C(=O)CC[NH3+])CC1 ZINC000237472789 390837804 /nfs/dbraw/zinc/83/78/04/390837804.db2.gz GISSEFXGCKPYIV-LBPRGKRZSA-N 2 0 295.814 1.894 10 0 CDAERP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000237531675 390849144 /nfs/dbraw/zinc/84/91/44/390849144.db2.gz MBKLQLHMJCIANT-MGPQQGTHSA-N 2 0 281.444 1.741 10 0 CDAERP CCC[NH+]1CCC([NH2+]CC(C)(C)[C@]2(O)CCOC2)CC1 ZINC000647338934 390943131 /nfs/dbraw/zinc/94/31/31/390943131.db2.gz DMOQJFJOQKRZBJ-INIZCTEOSA-N 2 0 284.444 1.628 10 0 CDAERP CC(C)([NH3+])CC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000648198093 390949855 /nfs/dbraw/zinc/94/98/55/390949855.db2.gz BIPKCHIVMAHFBM-CYBMUJFWSA-N 2 0 261.369 1.199 10 0 CDAERP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH2+]C23CCCC3)CC[N@@H+]1C ZINC000648211135 390953590 /nfs/dbraw/zinc/95/35/90/390953590.db2.gz JLNIGYKHBKRJQD-JHJVBQTASA-N 2 0 265.401 1.118 10 0 CDAERP C[C@@H]([NH3+])C[C@@H](C)NC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000647474501 390965443 /nfs/dbraw/zinc/96/54/43/390965443.db2.gz ZDINVBYLCRIXNC-GHMZBOCLSA-N 2 0 288.355 1.515 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647479926 390966822 /nfs/dbraw/zinc/96/68/22/390966822.db2.gz YESUILXETWOXHM-QLFBSQMISA-N 2 0 253.434 1.824 10 0 CDAERP C[C@@H]1C[N@@H+]([C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@@]1(C)C[NH3+] ZINC000647547813 390994962 /nfs/dbraw/zinc/99/49/62/390994962.db2.gz GCQXKHQWYIEOSI-UXXRCYHCSA-N 3 0 251.418 1.291 10 0 CDAERP CCCC[C@@H](C[NH3+])NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000417794107 391068821 /nfs/dbraw/zinc/06/88/21/391068821.db2.gz PMNHSKLQSKFGMN-AVOUXACISA-N 2 0 296.459 1.818 10 0 CDAERP C[C@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1)CN1CC[NH+](C)CC1 ZINC000527651540 391085797 /nfs/dbraw/zinc/08/57/97/391085797.db2.gz DNCKKMXOTWFQGS-OHFALNGGSA-N 2 0 279.472 1.894 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)NCCC[NH3+])CC1 ZINC000418312405 391299057 /nfs/dbraw/zinc/29/90/57/391299057.db2.gz OEOWYWRMAWVZNS-UHFFFAOYSA-N 2 0 270.421 1.099 10 0 CDAERP CC1([NH3+])CC[NH+](CCOCCOc2ccccc2)CC1 ZINC000647925341 391320034 /nfs/dbraw/zinc/32/00/34/391320034.db2.gz DXZRFTTZQVQLEQ-UHFFFAOYSA-N 2 0 278.396 1.895 10 0 CDAERP CCCC[C@H](C[NH3+])NC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000418021001 391330439 /nfs/dbraw/zinc/33/04/39/391330439.db2.gz HUFRGRAQRDXBDX-CQSZACIVSA-N 2 0 282.432 1.455 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000417015169 391339570 /nfs/dbraw/zinc/33/95/70/391339570.db2.gz FCMSDYBOHHKBCI-ZFWWWQNUSA-N 2 0 294.443 1.397 10 0 CDAERP C[C@@H]1C[C@H](C[N@H+](C)[C@H]2CCN(C3CC3)C2)CC[NH2+]1 ZINC000414691878 391344666 /nfs/dbraw/zinc/34/46/66/391344666.db2.gz KAWHHAYPEYCMLE-NFAWXSAZSA-N 2 0 251.418 1.543 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000417325994 391352059 /nfs/dbraw/zinc/35/20/59/391352059.db2.gz JZJWQDKROBAIAT-APIJFGDWSA-N 2 0 296.459 1.404 10 0 CDAERP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000335608796 391455546 /nfs/dbraw/zinc/45/55/46/391455546.db2.gz JNGRMRJABRMEMJ-GXTWGEPZSA-N 2 0 276.428 1.777 10 0 CDAERP CS[C@@H]1CC[C@H]1[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000425338097 391463830 /nfs/dbraw/zinc/46/38/30/391463830.db2.gz OSOLRTGIRSYUJV-BFHYXJOUSA-N 2 0 272.458 1.971 10 0 CDAERP CS[C@@H]1CC[C@H]1[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000425339535 391464602 /nfs/dbraw/zinc/46/46/02/391464602.db2.gz CPBONBNYVLQBGP-NWANDNLSSA-N 2 0 284.469 1.971 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)NCC1([NH3+])CCCCCC1 ZINC000417815457 391483165 /nfs/dbraw/zinc/48/31/65/391483165.db2.gz ROZOTUSBQIYQAL-CYBMUJFWSA-N 2 0 281.444 1.933 10 0 CDAERP C[C@H](NC(=O)N1CC[C@H]([NH3+])[C@@H]1C)C(C)(C)C[NH+](C)C ZINC000417853600 391510046 /nfs/dbraw/zinc/51/00/46/391510046.db2.gz IIDLJDIDHODRFA-SRVKXCTJSA-N 2 0 270.421 1.094 10 0 CDAERP C[C@@H]1CN(C(=O)[C@@](C)([NH3+])c2ccccc2)C[C@@]1(C)C[NH3+] ZINC000417826304 391491650 /nfs/dbraw/zinc/49/16/50/391491650.db2.gz CBEQOUYFSZXWJJ-WQVCFCJDSA-N 2 0 275.396 1.304 10 0 CDAERP CO[C@H](CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C(F)(F)F ZINC000647794716 391640142 /nfs/dbraw/zinc/64/01/42/391640142.db2.gz BPDBUNXLJMEXFD-DDHJBXDOSA-N 2 0 280.334 1.932 10 0 CDAERP FCC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCOCC1 ZINC000647798446 391660157 /nfs/dbraw/zinc/66/01/57/391660157.db2.gz QTGPHVAFQKQCPN-BFHYXJOUSA-N 2 0 270.392 1.730 10 0 CDAERP c1ccc(OCCCC[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000415029423 391728968 /nfs/dbraw/zinc/72/89/68/391728968.db2.gz BAJUHXLCVZXUEF-INIZCTEOSA-N 2 0 278.396 1.814 10 0 CDAERP CSCC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000362700314 391730563 /nfs/dbraw/zinc/73/05/63/391730563.db2.gz ALCSSURNCGMMSO-KBPBESRZSA-N 2 0 271.474 1.307 10 0 CDAERP C[C@@H](NC(=O)NCCC[NH3+])[C@@H](c1ccccc1)[NH+](C)C ZINC000418161487 391771559 /nfs/dbraw/zinc/77/15/59/391771559.db2.gz BUWIIGBTTMEBTQ-OCCSQVGLSA-N 2 0 278.400 1.326 10 0 CDAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000649303103 391951333 /nfs/dbraw/zinc/95/13/33/391951333.db2.gz WQRHMORQHYXUAQ-QLFBSQMISA-N 2 0 275.396 1.013 10 0 CDAERP CC(C)(C)[C@H](O)C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000336807487 392093388 /nfs/dbraw/zinc/09/33/88/392093388.db2.gz KKRLOWPPBDRNAL-UONOGXRCSA-N 2 0 270.417 1.048 10 0 CDAERP CC[C@@H]1C[C@@H](C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)CCO1 ZINC000261976366 392027846 /nfs/dbraw/zinc/02/78/46/392027846.db2.gz ISKYHALIKINECC-ZNMIVQPWSA-N 2 0 252.402 1.877 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CN1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000262103552 392034000 /nfs/dbraw/zinc/03/40/00/392034000.db2.gz VUIPWVGJWKPSND-DLBZAZTESA-N 3 0 294.487 1.088 10 0 CDAERP C[N@@H+]1CCC[C@H](N2CC[NH+](CCC[C@@H]3CCOC3)CC2)C1 ZINC000645828417 392181117 /nfs/dbraw/zinc/18/11/17/392181117.db2.gz QDCOTVGKPCOCJP-SJORKVTESA-N 2 0 295.471 1.515 10 0 CDAERP C(CN1CCOCC1)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000649415121 392198727 /nfs/dbraw/zinc/19/87/27/392198727.db2.gz LESICJTXDXGALJ-HOTGVXAUSA-N 2 0 281.444 1.173 10 0 CDAERP CCC[NH+]1CCC(NC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000529313894 392317789 /nfs/dbraw/zinc/31/77/89/392317789.db2.gz RFZRHFHJCMPIEI-TZMCWYRMSA-N 2 0 282.432 1.301 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCOc2ccc(F)cc21 ZINC000422960007 392275548 /nfs/dbraw/zinc/27/55/48/392275548.db2.gz VCYRYNNDMRHPKW-GXTWGEPZSA-N 2 0 282.359 1.993 10 0 CDAERP Cc1cc(N2CCC[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])C2)n(C)n1 ZINC000423076676 392321199 /nfs/dbraw/zinc/32/11/99/392321199.db2.gz RQWOHYOXGHNTRR-SCRDCRAPSA-N 2 0 279.432 1.413 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000423092829 392337107 /nfs/dbraw/zinc/33/71/07/392337107.db2.gz DPLWWYGCMVUGSL-FVCCEPFGSA-N 2 0 254.374 1.435 10 0 CDAERP C[C@H](C[C@@H]1COCC[NH2+]1)NC1CC([NH+]2CCCCC2)C1 ZINC000423094124 392339266 /nfs/dbraw/zinc/33/92/66/392339266.db2.gz JLTFOUXECDXDJW-YHNBSYBMSA-N 2 0 281.444 1.360 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H]1CCc2ccc(OC)cc21 ZINC000629528487 392384515 /nfs/dbraw/zinc/38/45/15/392384515.db2.gz AEXQCFCHISAWFS-HNNXBMFYSA-N 2 0 264.369 1.508 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000629528652 392385364 /nfs/dbraw/zinc/38/53/64/392385364.db2.gz GBNAZNMWGLXOPH-LBPRGKRZSA-N 2 0 280.368 1.344 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN(c2ccc(F)cc2)C1 ZINC000423177724 392417346 /nfs/dbraw/zinc/41/73/46/392417346.db2.gz HRDCXKDSKSRBMB-CFVMTHIKSA-N 2 0 263.360 1.874 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCN(c2ccc(F)cc2)C1 ZINC000423182316 392420685 /nfs/dbraw/zinc/42/06/85/392420685.db2.gz LNFPNPZSQMDSKV-LSDHHAIUSA-N 2 0 295.402 1.748 10 0 CDAERP C[C@@H]([NH2+]CCC[NH3+])c1cccc(OCC[NH+](C)C)c1 ZINC000423185233 392425049 /nfs/dbraw/zinc/42/50/49/392425049.db2.gz UUOAFBCKFQTBMF-CYBMUJFWSA-N 3 0 265.401 1.626 10 0 CDAERP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CCC[NH3+])C1 ZINC000423189549 392428683 /nfs/dbraw/zinc/42/86/83/392428683.db2.gz MVRCOAFIPHETLG-STQMWFEESA-N 2 0 256.390 1.827 10 0 CDAERP CC(C)[NH2+]CCC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000646430775 392439546 /nfs/dbraw/zinc/43/95/46/392439546.db2.gz IHWXHXBCRXCBTI-ZDUSSCGKSA-N 2 0 253.390 1.070 10 0 CDAERP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2CCC[C@H]2O)CC[NH2+]CC1 ZINC000423164082 392401888 /nfs/dbraw/zinc/40/18/88/392401888.db2.gz NUQOSYZYHSSUSU-MELADBBJSA-N 2 0 298.427 1.058 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H](CO)Cc1ccc(C)c(C)c1 ZINC000423162679 392401961 /nfs/dbraw/zinc/40/19/61/392401961.db2.gz LNXIMSOPCLKTMH-IRXDYDNUSA-N 2 0 294.439 1.550 10 0 CDAERP CC(C)[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2CO)CC1 ZINC000153818997 392404567 /nfs/dbraw/zinc/40/45/67/392404567.db2.gz NVCHJEUPPRYEPJ-HIFRSBDPSA-N 2 0 254.418 2.000 10 0 CDAERP CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000645889325 392471650 /nfs/dbraw/zinc/47/16/50/392471650.db2.gz CUVWJPMHBRTKOR-ZIAGYGMSSA-N 2 0 285.351 1.594 10 0 CDAERP C[NH2+]C[C@H](C)CN[C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000423275495 392483771 /nfs/dbraw/zinc/48/37/71/392483771.db2.gz NCUJCDCOGOJRDL-XKQJLSEDSA-N 2 0 291.439 1.933 10 0 CDAERP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CCC[NH3+])c1C ZINC000437805200 392493434 /nfs/dbraw/zinc/49/34/34/392493434.db2.gz WSIOTIQXUQWOAE-LBPRGKRZSA-N 2 0 263.385 1.959 10 0 CDAERP Cn1cncc1CCC[N@@H+]1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000574098541 392515993 /nfs/dbraw/zinc/51/59/93/392515993.db2.gz PYJIQAYYXGRZFX-IMJJTQAJSA-N 2 0 293.411 1.215 10 0 CDAERP C[C@H](Cc1ccoc1)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000449071090 392628245 /nfs/dbraw/zinc/62/82/45/392628245.db2.gz AAFMNHACSPEYLW-CQSZACIVSA-N 2 0 279.428 1.826 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000494874987 393119029 /nfs/dbraw/zinc/11/90/29/393119029.db2.gz AUSSSVOBTAMHOJ-ZIAGYGMSSA-N 2 0 281.444 1.898 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)[C@H]1C ZINC000494980482 393146227 /nfs/dbraw/zinc/14/62/27/393146227.db2.gz ZNNZJEMQZMQFDB-HZSPNIEDSA-N 2 0 253.434 1.647 10 0 CDAERP CCc1nccn1[C@H](C)CC(=O)N[C@@H](C)Cn1ccnc1 ZINC000648736290 393222491 /nfs/dbraw/zinc/22/24/91/393222491.db2.gz PAQUWRFEULORFT-QWHCGFSZSA-N 2 0 289.383 1.798 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000662484918 413058520 /nfs/dbraw/zinc/05/85/20/413058520.db2.gz BZSQGXONULOFPO-AWEZNQCLSA-N 2 0 287.448 1.364 10 0 CDAERP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000459661762 393288627 /nfs/dbraw/zinc/28/86/27/393288627.db2.gz RQAGCYADAKEMPR-BLLLJJGKSA-N 2 0 270.380 1.907 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+]C2CCCC2)CC1 ZINC000645967049 393439357 /nfs/dbraw/zinc/43/93/57/393439357.db2.gz NICXKHWVNTXCRW-UHFFFAOYSA-N 2 0 267.417 1.509 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@@H](O)CCc2ccccc2)C1 ZINC000656154526 413063106 /nfs/dbraw/zinc/06/31/06/413063106.db2.gz XDYFYGRWJVKPMN-BBWFWOEESA-N 2 0 276.424 1.910 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@@](C)(O)C(F)(F)F)C1 ZINC000656153989 413063339 /nfs/dbraw/zinc/06/33/39/413063339.db2.gz QYLRHPBSNCRIPK-KXUCPTDWSA-N 2 0 254.296 1.230 10 0 CDAERP CC[NH2+]CCN[C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000423235519 285600352 /nfs/dbraw/zinc/60/03/52/285600352.db2.gz NGOZVKBINIOCTO-CVEARBPZSA-N 2 0 277.412 1.687 10 0 CDAERP [NH3+][C@H]1CC[C@H](C(=O)NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000188705734 140099805 /nfs/dbraw/zinc/09/98/05/140099805.db2.gz WQPGOADLSLYVAC-FZMZJTMJSA-N 2 0 259.353 1.033 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)CC1CC[NH2+]CC1 ZINC000237508932 140255286 /nfs/dbraw/zinc/25/52/86/140255286.db2.gz SXKBVWBRBNQAJC-ZDUSSCGKSA-N 2 0 267.417 1.367 10 0 CDAERP CCOCC[N@@H+]1CCN(CC[C@@H]2CCC[NH+]2C)C[C@H]1C ZINC000245617319 140271820 /nfs/dbraw/zinc/27/18/20/140271820.db2.gz MXASAKXEDCHPKU-CVEARBPZSA-N 2 0 283.460 1.513 10 0 CDAERP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]12 ZINC000248621323 140292873 /nfs/dbraw/zinc/29/28/73/140292873.db2.gz MZLJEZNFNCKBAV-ZSABPLCXSA-N 2 0 277.412 1.103 10 0 CDAERP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000261659025 140370934 /nfs/dbraw/zinc/37/09/34/140370934.db2.gz GBWFYHSZWSBBOE-MQYQWHSLSA-N 2 0 267.417 1.480 10 0 CDAERP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000261659023 140371332 /nfs/dbraw/zinc/37/13/32/140371332.db2.gz GBWFYHSZWSBBOE-AAVRWANBSA-N 2 0 267.417 1.480 10 0 CDAERP C[C@@]1(CN2CCOC[C@H]2Cc2ccccc2)CC[NH2+]C1 ZINC000261687639 140375896 /nfs/dbraw/zinc/37/58/96/140375896.db2.gz ARVNWLXLZNNZGY-IAGOWNOFSA-N 2 0 274.408 1.930 10 0 CDAERP C[N@H+](CCNC(=O)CC[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000261732186 140381589 /nfs/dbraw/zinc/38/15/89/140381589.db2.gz FZKQSGWEPIFXIX-CQSZACIVSA-N 2 0 281.444 1.757 10 0 CDAERP CC[C@@]1(C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)CCC[NH2+]1 ZINC000261806817 140392069 /nfs/dbraw/zinc/39/20/69/140392069.db2.gz HGIQDCCYRTYEAP-RISCZKNCSA-N 2 0 253.390 1.104 10 0 CDAERP C[C@@H]([NH3+])CC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000261801138 140392099 /nfs/dbraw/zinc/39/20/99/140392099.db2.gz LBVNIGVTDDRYPG-YPMHNXCESA-N 2 0 253.390 1.104 10 0 CDAERP C[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])N1C[C@@H](C)O[C@@H](C)C1 ZINC000656200402 413098540 /nfs/dbraw/zinc/09/85/40/413098540.db2.gz MIZORMNPGACRMJ-PDWCTOEPSA-N 2 0 257.422 1.200 10 0 CDAERP Cc1nccn1CCCNC(=O)N[C@H](C)c1nccn1C ZINC000660395706 413099339 /nfs/dbraw/zinc/09/93/39/413099339.db2.gz POZGIBPYAIUGJI-LLVKDONJSA-N 2 0 290.371 1.376 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC000656268552 413149481 /nfs/dbraw/zinc/14/94/81/413149481.db2.gz FJWZNYFYMQANIY-IGQOVBAYSA-N 2 0 288.457 1.272 10 0 CDAERP C[C@@H]([NH2+][C@H]1CCNC1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000658052129 413155431 /nfs/dbraw/zinc/15/54/31/413155431.db2.gz AUJGWONCQHWROG-DOMZBBRYSA-N 2 0 291.395 1.166 10 0 CDAERP CO[C@@H](C[N@@H+]1CCC[C@H](CN2CCOCC2)C1)C1CCC1 ZINC000660486224 413158944 /nfs/dbraw/zinc/15/89/44/413158944.db2.gz ZJHAOEFRZYNBAL-WBVHZDCISA-N 2 0 296.455 1.846 10 0 CDAERP Cn1cnc(CCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000647801611 397607790 /nfs/dbraw/zinc/60/77/90/397607790.db2.gz ZCDCJSDDHTXEIG-SOUVJXGZSA-N 2 0 291.443 1.648 10 0 CDAERP CCc1cccc(CNC[C@@H](O)C[N@H+](C)C2CC2)c1 ZINC000649487379 397769216 /nfs/dbraw/zinc/76/92/16/397769216.db2.gz BPBSXYOGPHMYHL-MRXNPFEDSA-N 2 0 262.397 1.794 10 0 CDAERP COC1(C[C@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)CCC1 ZINC000429520468 292125362 /nfs/dbraw/zinc/12/53/62/292125362.db2.gz PFSBVYKUIMAHKH-ZDUSSCGKSA-N 2 0 270.417 1.380 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000093677700 147063492 /nfs/dbraw/zinc/06/34/92/147063492.db2.gz NWLMGYAHOBXIPW-DKUMPPAJSA-N 2 0 279.428 1.460 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NCC[N@H+](C)C(C)C ZINC000101983426 147143044 /nfs/dbraw/zinc/14/30/44/147143044.db2.gz DYBJEOIMWFIKKA-CQSZACIVSA-N 2 0 286.464 1.602 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H](C)[NH+](CC)CC ZINC000121977781 147389713 /nfs/dbraw/zinc/38/97/13/147389713.db2.gz HVTSALXZEVYOJF-OKILXGFUSA-N 2 0 286.464 1.746 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000185170442 148391511 /nfs/dbraw/zinc/39/15/11/148391511.db2.gz XEMNWJARXDQWAU-CQSZACIVSA-N 2 0 298.475 1.698 10 0 CDAERP CC[C@@H](COC)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658135733 413226393 /nfs/dbraw/zinc/22/63/93/413226393.db2.gz AQPRTNCQJSRIJL-DLBZAZTESA-N 2 0 292.423 1.768 10 0 CDAERP Cc1cnc(CCN(C)C[C@@]2(C)CC[NH2+]C2)s1 ZINC000262082626 149011952 /nfs/dbraw/zinc/01/19/52/149011952.db2.gz TZKUFJAHNAQCAM-ZDUSSCGKSA-N 2 0 253.415 1.925 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262353727 149050649 /nfs/dbraw/zinc/05/06/49/149050649.db2.gz HPXQSIUYEPUTTM-AVGNSLFASA-N 2 0 255.406 1.221 10 0 CDAERP [NH3+]CCCN(Cc1ccccc1)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000262462703 149066285 /nfs/dbraw/zinc/06/62/85/149066285.db2.gz MYCZKZWDOHJRNF-JKSUJKDBSA-N 2 0 289.423 1.882 10 0 CDAERP CO[C@H]1C[C@H]2C[C@H]([NH2+]CC3(O)CC[NH+](C)CC3)C[C@H]2C1 ZINC000424322452 286114808 /nfs/dbraw/zinc/11/48/08/286114808.db2.gz VJZHAOKCELLJEM-ZJIFFRHRSA-N 2 0 282.428 1.236 10 0 CDAERP C[NH+](C)C1(CNC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CCCC1 ZINC000334890894 150041120 /nfs/dbraw/zinc/04/11/20/150041120.db2.gz BZEOAORJXZITHP-KBPBESRZSA-N 2 0 294.443 1.254 10 0 CDAERP CN(C(=O)NCC1([NH3+])CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000334923077 150084689 /nfs/dbraw/zinc/08/46/89/150084689.db2.gz AIPXZKZEOIIHDK-PBWFPOADSA-N 2 0 294.443 1.572 10 0 CDAERP COC(=O)[C@](C)(O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000343688127 152267160 /nfs/dbraw/zinc/26/71/60/152267160.db2.gz KRSPGUJHSZTEGR-HEHGZKQESA-N 2 0 298.427 1.153 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@H](O)C1 ZINC000346163935 153078252 /nfs/dbraw/zinc/07/82/52/153078252.db2.gz CNHTZLNYKCETDC-CQSZACIVSA-N 2 0 258.325 1.142 10 0 CDAERP Cc1c(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cnn1C ZINC000404426603 413281292 /nfs/dbraw/zinc/28/12/92/413281292.db2.gz LWMDTULPRYUHOI-SMDDNHRTSA-N 2 0 250.390 1.678 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654440585 413284183 /nfs/dbraw/zinc/28/41/83/413284183.db2.gz OGRVXVARNVYLKB-OKILXGFUSA-N 2 0 284.448 1.358 10 0 CDAERP CCC[NH+]1CCC(NC(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000662670441 413286279 /nfs/dbraw/zinc/28/62/79/413286279.db2.gz HAEYRMTXSBNAAM-UHFFFAOYSA-N 2 0 279.428 1.652 10 0 CDAERP C[C@H](CNC(=O)CC1([NH3+])CC1)[N@@H+]1CCCC[C@@H]1C ZINC000662678888 413296851 /nfs/dbraw/zinc/29/68/51/413296851.db2.gz JPPCQDTXWVQJBM-NWDGAFQWSA-N 2 0 253.390 1.247 10 0 CDAERP [NH3+]C1(CC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000662679551 413299935 /nfs/dbraw/zinc/29/99/35/413299935.db2.gz ADZYQHNYZCOVHO-HNNXBMFYSA-N 2 0 287.407 1.821 10 0 CDAERP C[NH+](C)[C@@]1(CNC(=O)C2([NH3+])CC3(CCC3)C2)CCSC1 ZINC000662681790 413302410 /nfs/dbraw/zinc/30/24/10/413302410.db2.gz LADNTTRYEDJXRR-CQSZACIVSA-N 2 0 297.468 1.202 10 0 CDAERP CC(C)([NH3+])c1cc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)on1 ZINC000662681618 413302586 /nfs/dbraw/zinc/30/25/86/413302586.db2.gz KFPKMUUBSINYCD-QWRGUYRKSA-N 2 0 292.383 1.225 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662681313 413304724 /nfs/dbraw/zinc/30/47/24/413304724.db2.gz YRAKQHHTSIOEEY-CYBMUJFWSA-N 2 0 279.428 1.652 10 0 CDAERP C[C@@H](NC(=O)N1CC[NH+]2CCC1CC2)C(C)(C)C[NH+](C)C ZINC000375227360 160355418 /nfs/dbraw/zinc/35/54/18/160355418.db2.gz FWUKGROHBYREFL-CYBMUJFWSA-N 2 0 296.459 1.452 10 0 CDAERP [NH3+][C@H](CC(F)F)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000662685693 413310643 /nfs/dbraw/zinc/31/06/43/413310643.db2.gz GMKWMNXKZYGUIK-VXGBXAGGSA-N 2 0 299.321 1.269 10 0 CDAERP C[C@H](CNC(=O)C1([NH3+])CC2(CCC2)C1)C[NH+]1CCCC1 ZINC000662688421 413316383 /nfs/dbraw/zinc/31/63/83/413316383.db2.gz PBNVBNCHUXAWGB-CYBMUJFWSA-N 2 0 279.428 1.496 10 0 CDAERP C[N@@H+]1CCC[C@@]2(CC[NH+](CC3(O)CCSCC3)C2)C1 ZINC000660641802 413318369 /nfs/dbraw/zinc/31/83/69/413318369.db2.gz JVQOOUHVJTUIOQ-CQSZACIVSA-N 2 0 284.469 1.662 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cnccc2C)CC1 ZINC000353912655 156157959 /nfs/dbraw/zinc/15/79/59/156157959.db2.gz ILNGCDTULSYUCZ-OAHLLOKOSA-N 2 0 276.428 1.506 10 0 CDAERP CCN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[C@@H]1CC[N@H+](C)C1 ZINC000664370048 413321460 /nfs/dbraw/zinc/32/14/60/413321460.db2.gz YQFPZLSZALZTNM-ZIAGYGMSSA-N 2 0 298.475 1.698 10 0 CDAERP [NH3+][C@H](c1cn([C@H]2CC[NH2+]C2)nn1)c1ccc(Cl)cc1 ZINC000656468809 413328613 /nfs/dbraw/zinc/32/86/13/413328613.db2.gz TYVIFXDWRFVROJ-AAEUAGOBSA-N 2 0 277.759 1.514 10 0 CDAERP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CC1([NH3+])CC1 ZINC000662696118 413330441 /nfs/dbraw/zinc/33/04/41/413330441.db2.gz SWVMZRQNKGSLQF-NWDGAFQWSA-N 2 0 253.390 1.104 10 0 CDAERP CC[C@@H](C(=O)N1CCC[C@H]1C[NH+](C)C)[NH+](CC)CC ZINC000359791540 158378577 /nfs/dbraw/zinc/37/85/77/158378577.db2.gz HHKSIWPIYNQHNQ-KBPBESRZSA-N 2 0 269.433 1.659 10 0 CDAERP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](C)CC[C@H]2C)CC1 ZINC000362480659 159157889 /nfs/dbraw/zinc/15/78/89/159157889.db2.gz ULSXCOLSVFMQCP-ZIAGYGMSSA-N 2 0 281.444 1.707 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCN1CCC(Oc2cnccn2)CC1 ZINC000373234951 160184606 /nfs/dbraw/zinc/18/46/06/160184606.db2.gz XMNWPTPAYINCSX-CQSZACIVSA-N 2 0 290.411 1.804 10 0 CDAERP C[C@@H](C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[NH+]1CCCCCC1 ZINC000662748463 413428200 /nfs/dbraw/zinc/42/82/00/413428200.db2.gz VGUDMSXSRTUPQY-YNEHKIRRSA-N 2 0 271.380 1.149 10 0 CDAERP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)CC2([NH3+])CC2)C1 ZINC000662749524 413428637 /nfs/dbraw/zinc/42/86/37/413428637.db2.gz JDQQAISHAWKILG-CYBMUJFWSA-N 2 0 265.401 1.058 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)CC1([NH3+])CC1)c1ccc(Cl)cc1 ZINC000662753579 413433407 /nfs/dbraw/zinc/43/34/07/413433407.db2.gz SGXHTRHYYVREJZ-CYBMUJFWSA-N 2 0 295.814 1.940 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654566443 413437023 /nfs/dbraw/zinc/43/70/23/413437023.db2.gz FNYHDZUFMURAGV-MELADBBJSA-N 2 0 284.448 1.355 10 0 CDAERP C[NH2+][C@@H]1CCCN(C(=O)[C@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000261777879 165051697 /nfs/dbraw/zinc/05/16/97/165051697.db2.gz SBROOCOQYXJPQZ-ZIAGYGMSSA-N 2 0 279.359 1.078 10 0 CDAERP COCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001665642358 1173030564 /nfs/dbraw/zinc/03/05/64/1173030564.db2.gz RPSOHBCYXWGDMV-CABCVRRESA-N 2 0 299.459 1.142 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001665677881 1173036627 /nfs/dbraw/zinc/03/66/27/1173036627.db2.gz ZVVAQEARCORYRC-GJZGRUSLSA-N 2 0 299.459 1.286 10 0 CDAERP [NH3+]C[C@@H](c1cccs1)N1CC[NH+](CC2CC2)CC1 ZINC000020179379 171044245 /nfs/dbraw/zinc/04/42/45/171044245.db2.gz KGXBIZUFRCHKNQ-ZDUSSCGKSA-N 2 0 265.426 1.776 10 0 CDAERP C[N@@H+]1CCCN(C[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000020217800 171080987 /nfs/dbraw/zinc/08/09/87/171080987.db2.gz HFZAJDPNQIRVBA-INIZCTEOSA-N 2 0 259.397 1.338 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)C1([NH3+])CCCCC1 ZINC000653211331 412140313 /nfs/dbraw/zinc/14/03/13/412140313.db2.gz URAFTZMNWPLAOV-UHFFFAOYSA-N 2 0 275.396 1.684 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000653176458 412117086 /nfs/dbraw/zinc/11/70/86/412117086.db2.gz VXEFPHKBCMWRPB-AWEZNQCLSA-N 2 0 269.433 1.613 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)[C@H]([NH3+])CC(F)F ZINC000653176568 412117183 /nfs/dbraw/zinc/11/71/83/412117183.db2.gz YXDIFLCZRYNVCZ-SNVBAGLBSA-N 2 0 265.348 1.063 10 0 CDAERP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[C@@H](C3CC3)[NH2+]1)C2 ZINC000653192401 412126149 /nfs/dbraw/zinc/12/61/49/412126149.db2.gz OHXULRCHYBYQNA-AYDFFVQHSA-N 2 0 277.412 1.104 10 0 CDAERP O=C(N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)C1([NH2+]C2CC2)CCC1 ZINC000662786401 413496762 /nfs/dbraw/zinc/49/67/62/413496762.db2.gz WDPDKHFUMDBNPH-KBPBESRZSA-N 2 0 291.439 1.509 10 0 CDAERP [NH3+]Cc1ccc(CNC(=O)C2([NH2+]C3CC3)CCC2)cc1 ZINC000662820860 413545760 /nfs/dbraw/zinc/54/57/60/413545760.db2.gz AORGZSZLPUSTTD-UHFFFAOYSA-N 2 0 273.380 1.436 10 0 CDAERP CCO[C@@H]1CN([C@@H](C)C(=O)N2CCCCCC2)C[C@H]1C[NH3+] ZINC000405583624 413634237 /nfs/dbraw/zinc/63/42/37/413634237.db2.gz KXQDXXDIRKNZTP-RRFJBIMHSA-N 2 0 297.443 1.073 10 0 CDAERP CC(C)[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)C1(CO)CC=CC1 ZINC000660901655 413635429 /nfs/dbraw/zinc/63/54/29/413635429.db2.gz IRDCUCLYDRCADX-CVEARBPZSA-N 2 0 298.471 1.630 10 0 CDAERP [NH3+]C1(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CCCC1 ZINC000662884921 413655341 /nfs/dbraw/zinc/65/53/41/413655341.db2.gz QSGMKIYVXAZIMF-CQSZACIVSA-N 2 0 289.379 1.558 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662852894 413609456 /nfs/dbraw/zinc/60/94/56/413609456.db2.gz NGELUZAXRGPBTQ-ZDUSSCGKSA-N 2 0 279.428 1.650 10 0 CDAERP [NH3+]CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000662920196 413703458 /nfs/dbraw/zinc/70/34/58/413703458.db2.gz RSOVHDQQBURCSI-HNNXBMFYSA-N 2 0 287.407 1.364 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659348817 413738069 /nfs/dbraw/zinc/73/80/69/413738069.db2.gz QBEGWOQVLIHAHE-CTHBEMJXSA-N 2 0 275.396 1.232 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NCC1([NH+](C)C)CCCC1 ZINC000659424887 413805295 /nfs/dbraw/zinc/80/52/95/413805295.db2.gz HVIIODASBIQFLA-CYBMUJFWSA-N 2 0 284.448 1.533 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659462948 413851216 /nfs/dbraw/zinc/85/12/16/413851216.db2.gz NTVAMBRIYWFJJP-CYBMUJFWSA-N 2 0 272.437 1.391 10 0 CDAERP C[C@H](NC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)c1nccn1C ZINC000659534898 413937430 /nfs/dbraw/zinc/93/74/30/413937430.db2.gz BUERXBAASQABOU-HBNTYKKESA-N 2 0 265.361 1.050 10 0 CDAERP COC1CC(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000665230977 413960028 /nfs/dbraw/zinc/96/00/28/413960028.db2.gz ZPMSTTSDPXQXSQ-QFSHSQKFSA-N 2 0 252.402 1.779 10 0 CDAERP FC1(F)C[C@@H]1OCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000665244397 413975463 /nfs/dbraw/zinc/97/54/63/413975463.db2.gz MKBOQXCSMFMXNE-KKOKHZNYSA-N 2 0 260.328 1.388 10 0 CDAERP C[C@@H]1[C@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)C[C@@H]1c1ccccc1 ZINC000665292857 414036279 /nfs/dbraw/zinc/03/62/79/414036279.db2.gz KVOUMMCMJZBCHV-TUKIKUTGSA-N 2 0 298.390 1.923 10 0 CDAERP CO[C@H]1CCCC[C@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000037229190 173048726 /nfs/dbraw/zinc/04/87/26/173048726.db2.gz LVOLIBFFQQDQKK-CABCVRRESA-N 2 0 269.433 1.171 10 0 CDAERP Cc1nccn1CCCN1CC[C@H](O)C(F)(F)C1 ZINC000661408621 414065813 /nfs/dbraw/zinc/06/58/13/414065813.db2.gz LIZWUEAMWOCCAP-NSHDSACASA-N 2 0 259.300 1.284 10 0 CDAERP c1c(C[NH2+]C2CCN(c3ccccn3)CC2)nn2c1CCC2 ZINC000657310639 414155011 /nfs/dbraw/zinc/15/50/11/414155011.db2.gz PKQPCDPNWIKTHB-UHFFFAOYSA-N 2 0 297.406 1.983 10 0 CDAERP C[NH+](C)CCCNCc1ccnn1-c1cc[nH+]cc1 ZINC000657287517 414110321 /nfs/dbraw/zinc/11/03/21/414110321.db2.gz PNJLDFUTRWKMEU-UHFFFAOYSA-N 2 0 259.357 1.309 10 0 CDAERP COC[C@@H](C[N@@H+]1CCC[C@H](n2ccnc2)C1)OC ZINC000659883522 414223106 /nfs/dbraw/zinc/22/31/06/414223106.db2.gz VMHFMMJDPZRAIX-QWHCGFSZSA-N 2 0 253.346 1.181 10 0 CDAERP CCC[C@H](O)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657358104 414230052 /nfs/dbraw/zinc/23/00/52/414230052.db2.gz BALNHFCWPDIQSW-AWEZNQCLSA-N 2 0 260.341 1.518 10 0 CDAERP CC[NH+](CC)CCC[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000661633078 414238603 /nfs/dbraw/zinc/23/86/03/414238603.db2.gz SYGCOSVCCLLIEB-HNNXBMFYSA-N 2 0 254.418 1.955 10 0 CDAERP CC[C@H]1C[C@@H]([NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)CO1 ZINC000657338475 414195685 /nfs/dbraw/zinc/19/56/85/414195685.db2.gz XURPKEFKHXFGEN-WBVHZDCISA-N 2 0 295.471 1.702 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000655804254 414197304 /nfs/dbraw/zinc/19/73/04/414197304.db2.gz QXEZUVKZJNAFCN-LEOABGAYSA-N 3 0 265.445 1.789 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)[C@H](C)C1 ZINC000655806278 414198274 /nfs/dbraw/zinc/19/82/74/414198274.db2.gz UGQMSCSIOFTEDR-APIJFGDWSA-N 3 0 253.434 1.647 10 0 CDAERP OC1(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CCSCC1 ZINC000659947577 414290158 /nfs/dbraw/zinc/29/01/58/414290158.db2.gz MCILICHNACXNDF-AWEZNQCLSA-N 2 0 284.469 1.662 10 0 CDAERP NC(=O)CC1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000657493221 414395103 /nfs/dbraw/zinc/39/51/03/414395103.db2.gz ACDRZGKNMVNQKT-UHFFFAOYSA-N 2 0 285.351 1.013 10 0 CDAERP OC[C@H](NCc1cnc2n1CCC2)c1ccsc1 ZINC000657439141 414328504 /nfs/dbraw/zinc/32/85/04/414328504.db2.gz UYXKJOUKPFIAQI-LBPRGKRZSA-N 2 0 263.366 1.714 10 0 CDAERP CO[C@@H](CN1CC[NH2+]C[C@](C)(F)C1)C1CCCC1 ZINC000662271972 414604085 /nfs/dbraw/zinc/60/40/85/414604085.db2.gz ANWTUQDDUNMJOC-KBPBESRZSA-N 2 0 258.381 1.825 10 0 CDAERP NC(=O)c1cccc2c1CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC000662231807 414577677 /nfs/dbraw/zinc/57/76/77/414577677.db2.gz SSJYPIWPMBNHMT-UHFFFAOYSA-N 2 0 273.380 1.143 10 0 CDAERP C[C@]([NH3+])(C(=O)N1CCC([NH+]2CCCC2)CC1)C1CC1 ZINC000038101764 174117813 /nfs/dbraw/zinc/11/78/13/174117813.db2.gz ANULGUKMBCPSSJ-OAHLLOKOSA-N 2 0 265.401 1.201 10 0 CDAERP CC[NH+]1CCN([C@H](C[NH3+])[C@H](C)c2ccccc2)CC1 ZINC000040216755 174205588 /nfs/dbraw/zinc/20/55/88/174205588.db2.gz FQIULQQRGUISCS-GDBMZVCRSA-N 2 0 261.413 1.755 10 0 CDAERP CCN1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CCC[N@H+](C)C2)C1 ZINC000040502615 174298800 /nfs/dbraw/zinc/29/88/00/174298800.db2.gz NSOYAIODPHGQFA-ZNMIVQPWSA-N 2 0 253.434 1.791 10 0 CDAERP CC[NH+](CC)CCOc1nc(C)cc(C)c1C(N)=[NH2+] ZINC000040515281 174306671 /nfs/dbraw/zinc/30/66/71/174306671.db2.gz JMTVMXDUTDXMKM-UHFFFAOYSA-N 2 0 264.373 1.703 10 0 CDAERP CCN(CC)C(=O)CCC[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000040601041 174351097 /nfs/dbraw/zinc/35/10/97/174351097.db2.gz HSHHYKRIXJWHSL-AWEZNQCLSA-N 2 0 269.433 1.566 10 0 CDAERP CCC[NH+]1CCC([C@@H](C)[NH2+]C(C)(C)C(N)=O)CC1 ZINC000040674470 174372732 /nfs/dbraw/zinc/37/27/32/174372732.db2.gz KPNWXIWTUARYEJ-LLVKDONJSA-N 2 0 255.406 1.350 10 0 CDAERP Cn1cc([C@@H](C[NH3+])N2CCC([NH+]3CCCCC3)CC2)cn1 ZINC000040693801 174377854 /nfs/dbraw/zinc/37/78/54/174377854.db2.gz PYDHLSMUPJVAEB-MRXNPFEDSA-N 2 0 291.443 1.370 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000040829699 174412353 /nfs/dbraw/zinc/41/23/53/174412353.db2.gz YFKFTXDAHHDUFC-CWRNSKLLSA-N 2 0 293.455 1.898 10 0 CDAERP C[C@@H]([NH3+])[C@@H](c1ccccn1)N1CCC(C[NH+](C)C)CC1 ZINC000043340467 175014270 /nfs/dbraw/zinc/01/42/70/175014270.db2.gz RDUMOKULZFGLCC-CJNGLKHVSA-N 2 0 276.428 1.744 10 0 CDAERP CC[C@@H]([NH3+])[C@@H](c1ccccn1)N1CC[NH+](CC2CC2)CC1 ZINC000043340191 175014529 /nfs/dbraw/zinc/01/45/29/175014529.db2.gz PBJKYBGXDCVKKN-WBVHZDCISA-N 2 0 288.439 1.888 10 0 CDAERP CC[NH+]1CCN([C@H]2CCCCCC[C@@H]2[NH2+]C)CC1 ZINC000043805753 175107629 /nfs/dbraw/zinc/10/76/29/175107629.db2.gz KEAGCAQGUDYGHL-GJZGRUSLSA-N 2 0 253.434 1.935 10 0 CDAERP CCC[NH+]1CCN([C@H]2Cc3ccccc3[C@H]2[NH2+]C)CC1 ZINC000043805327 175107889 /nfs/dbraw/zinc/10/78/89/175107889.db2.gz OYZXHROYQYAZEK-DLBZAZTESA-N 2 0 273.424 1.899 10 0 CDAERP C[NH2+][C@@H]1c2ccccc2C[C@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815217 175111719 /nfs/dbraw/zinc/11/17/19/175111719.db2.gz KZJHOBLVJXYHDV-IAGOWNOFSA-N 2 0 273.424 1.898 10 0 CDAERP CC[C@H]1CCC[N@@H+]1[C@@H]1CC2(CC[C@@H]1[NH2+]C)OCCO2 ZINC000043904263 175122630 /nfs/dbraw/zinc/12/26/30/175122630.db2.gz XVOHARYYEKVFEO-MELADBBJSA-N 2 0 268.401 1.744 10 0 CDAERP CC[NH2+][C@@H]1CCC[C@H]1N1CC[NH+](C(C)(C)C)CC1 ZINC000043965590 175126896 /nfs/dbraw/zinc/12/68/96/175126896.db2.gz FYBRDWPRIOFQEW-ZIAGYGMSSA-N 2 0 253.434 1.933 10 0 CDAERP CC[NH2+][C@H]1CCOC[C@@H]1N(C)C1CC[NH+](CC)CC1 ZINC000043978391 175133633 /nfs/dbraw/zinc/13/36/33/175133633.db2.gz YXCHGTKONHVFOT-GJZGRUSLSA-N 2 0 269.433 1.170 10 0 CDAERP CCC[NH+]1CCN([C@H](c2ccco2)[C@@H](C)[NH3+])CC1 ZINC000044419002 175173467 /nfs/dbraw/zinc/17/34/67/175173467.db2.gz FROUEXDJKOCGNS-OCCSQVGLSA-N 2 0 251.374 1.696 10 0 CDAERP C[NH+]1CCC(C[NH2+]C[C@H](O)c2cc(F)ccc2F)CC1 ZINC000044518153 175190956 /nfs/dbraw/zinc/19/09/56/175190956.db2.gz DTBACENRZCWTNS-HNNXBMFYSA-N 2 0 284.350 1.930 10 0 CDAERP COc1ccc(C)cc1[C@H](O)C[NH2+]CC1CC[NH+](C)CC1 ZINC000044518161 175191109 /nfs/dbraw/zinc/19/11/09/175191109.db2.gz LMHURNSQMACAQV-MRXNPFEDSA-N 2 0 292.423 1.968 10 0 CDAERP CC[C@@H](C)N1C(=O)C[C@@H]([NH2+]CC2CC[NH+](CC)CC2)C1=O ZINC000044517985 175191208 /nfs/dbraw/zinc/19/12/08/175191208.db2.gz KZDFMNONMVKUDK-TZMCWYRMSA-N 2 0 295.427 1.234 10 0 CDAERP CCC[NH2+]CC(=O)Nc1cc(C[NH+](C)C)ccc1OC ZINC000044648182 175224044 /nfs/dbraw/zinc/22/40/44/175224044.db2.gz CZGVOTGYKQFIQR-UHFFFAOYSA-N 2 0 279.384 1.695 10 0 CDAERP c1ccc2c(c1)C[NH2+][C@@H](CN[C@H]1CC[N@@H+](C3CC3)C1)C2 ZINC000044679518 175228661 /nfs/dbraw/zinc/22/86/61/175228661.db2.gz ZMVBBZOGTYYSMH-JKSUJKDBSA-N 2 0 271.408 1.527 10 0 CDAERP COC(=O)[C@](C)([NH3+])CCCC[N@H+](C)C1CCOCC1 ZINC000045394918 175376153 /nfs/dbraw/zinc/37/61/53/175376153.db2.gz YCRJMTPGCJMMRU-CQSZACIVSA-N 2 0 272.389 1.158 10 0 CDAERP CC[NH2+][C@](C)(CCCC[NH+]1CCC(OCC)CC1)C(N)=O ZINC000045420124 175378452 /nfs/dbraw/zinc/37/84/52/175378452.db2.gz RZNNCAHHJUMYMC-MRXNPFEDSA-N 2 0 299.459 1.511 10 0 CDAERP CC[C@]1(C)C[C@@](C[NH3+])(N(C)CCC[NH+](C)C)CCO1 ZINC000070366619 175896773 /nfs/dbraw/zinc/89/67/73/175896773.db2.gz XWLXXJHEPOKFIZ-CABCVRRESA-N 2 0 271.449 1.547 10 0 CDAERP CCC[NH2+][C@@H]1CCCN(CCC[NH+](CC)CC)C1=O ZINC000071033341 176023422 /nfs/dbraw/zinc/02/34/22/176023422.db2.gz NQPIYNDNGHIBNH-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP CC(C)[NH2+][C@H]1CCCN([C@H](C)C[NH+]2CCCC2)C1=O ZINC000071033595 176024071 /nfs/dbraw/zinc/02/40/71/176024071.db2.gz MMKZTMPSGJRCFN-KGLIPLIRSA-N 2 0 267.417 1.460 10 0 CDAERP CCC[NH2+][C@H]1CCCN(CCCC[NH+](C)C)C1=O ZINC000071033927 176024082 /nfs/dbraw/zinc/02/40/82/176024082.db2.gz BCGZHSUUUQSUIZ-ZDUSSCGKSA-N 2 0 255.406 1.319 10 0 CDAERP CCC[NH2+][C@@H]1CCN(CC(C)(C)C[NH+](C)C)C1=O ZINC000071036139 176025306 /nfs/dbraw/zinc/02/53/06/176025306.db2.gz CWQZWJURDQFRQX-GFCCVEGCSA-N 2 0 255.406 1.175 10 0 CDAERP CC[NH+](CC)CCN1CCC[C@H]([NH2+]C(C)C)C1=O ZINC000071035493 176025435 /nfs/dbraw/zinc/02/54/35/176025435.db2.gz ILPGXVUYRRGORU-ZDUSSCGKSA-N 2 0 255.406 1.317 10 0 CDAERP C[NH+](C)CC(C)(C)CN1CCC[C@@H]([NH2+]C2CC2)C1=O ZINC000071036146 176025607 /nfs/dbraw/zinc/02/56/07/176025607.db2.gz FFPMRYXYESLEMH-CYBMUJFWSA-N 2 0 267.417 1.317 10 0 CDAERP CCC[NH2+][C@H]1CCN(C[C@@H](C)[NH+]2CCCCC2)C1=O ZINC000071036388 176026028 /nfs/dbraw/zinc/02/60/28/176026028.db2.gz FCDJERANWAQSMT-KGLIPLIRSA-N 2 0 267.417 1.461 10 0 CDAERP CC[NH2+][C@@H]1CCCN(CCC[N@@H+]2CCCC[C@@H]2C)C1=O ZINC000071037920 176026698 /nfs/dbraw/zinc/02/66/98/176026698.db2.gz KUBKRTOAABDOEB-LSDHHAIUSA-N 2 0 281.444 1.851 10 0 CDAERP CN(CCN1CC[NH2+]CC1)c1cc[nH+]c2ccccc21 ZINC000071151017 176045134 /nfs/dbraw/zinc/04/51/34/176045134.db2.gz BTABNHGRSLMHAY-UHFFFAOYSA-N 2 0 270.380 1.576 10 0 CDAERP C[C@H]([NH3+])[C@H](c1ccco1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071187982 176061695 /nfs/dbraw/zinc/06/16/95/176061695.db2.gz WBKRRWBXMGQJDR-OUCADQQQSA-N 2 0 251.374 1.551 10 0 CDAERP CN(C[C@H]1CC[N@H+](C)C1)CC(C)(C)C[NH2+]C1CC1 ZINC000071191513 176070333 /nfs/dbraw/zinc/07/03/33/176070333.db2.gz VHGQYOIHGZSZLI-ZDUSSCGKSA-N 2 0 253.434 1.648 10 0 CDAERP CC[NH2+]Cc1coc(CN(C)C[C@H]2CC[N@H+](C)C2)c1 ZINC000071191825 176072578 /nfs/dbraw/zinc/07/25/78/176072578.db2.gz NWNSWCYLJHJHLB-ZDUSSCGKSA-N 2 0 265.401 1.773 10 0 CDAERP CCc1nc(N(C)C[C@@H]2CC[N@H+](C)C2)sc1C[NH3+] ZINC000071192595 176074758 /nfs/dbraw/zinc/07/47/58/176074758.db2.gz FVCCRYKHBNLNKJ-SNVBAGLBSA-N 2 0 268.430 1.552 10 0 CDAERP CCC[NH2+][C@@H]1CCCN([C@@H]2C[NH+]3CCC2CC3)C1 ZINC000071197099 176076538 /nfs/dbraw/zinc/07/65/38/176076538.db2.gz YMUYMIPQJURHKA-HUUCEWRRSA-N 2 0 251.418 1.545 10 0 CDAERP CC[N@@H+]1CCC[C@H](N2CCC[C@H]([NH2+]C(C)C)C2)C1 ZINC000071200665 176077788 /nfs/dbraw/zinc/07/77/88/176077788.db2.gz JWXFHWIKDFKMSH-GJZGRUSLSA-N 2 0 253.434 1.933 10 0 CDAERP [NH3+]Cc1cc(F)ccc1CN1CC[NH+](C2CC2)CC1 ZINC000071263335 176096646 /nfs/dbraw/zinc/09/66/46/176096646.db2.gz FJTIWNROCVWLCT-UHFFFAOYSA-N 2 0 263.360 1.564 10 0 CDAERP CCC[NH+]1CCN(Cc2ccc(F)cc2C(N)=[NH2+])CC1 ZINC000071267594 176100900 /nfs/dbraw/zinc/10/09/00/176100900.db2.gz KZKAWCUURFVJPV-UHFFFAOYSA-N 2 0 278.375 1.637 10 0 CDAERP CC[C@@H](CC[NH3+])CCC(=O)NC[C@@H](C(C)C)[NH+](C)C ZINC000079211945 177447708 /nfs/dbraw/zinc/44/77/08/177447708.db2.gz JUTPOVPALAJEKN-KGLIPLIRSA-N 2 0 271.449 1.844 10 0 CDAERP CCCC[NH2+]C[C@](C)(NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001666031792 1173102322 /nfs/dbraw/zinc/10/23/22/1173102322.db2.gz JGGBGHOBJVJISQ-INIZCTEOSA-N 2 0 293.455 1.757 10 0 CDAERP CCC([NH3+])(CC)CNC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659521163 423882305 /nfs/dbraw/zinc/88/23/05/423882305.db2.gz CCYADUFVUSNMIU-LLVKDONJSA-N 2 0 258.410 1.177 10 0 CDAERP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)Cn1cccn1 ZINC000651866030 423829653 /nfs/dbraw/zinc/82/96/53/423829653.db2.gz QYIDIIZDRJWMTQ-AWEZNQCLSA-N 2 0 252.406 1.839 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000652225054 424083132 /nfs/dbraw/zinc/08/31/32/424083132.db2.gz OJUBVYYWGPEMHD-ZIAGYGMSSA-N 2 0 284.448 1.356 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)N(C)CC1C[NH+](C)C1 ZINC000661210350 424037126 /nfs/dbraw/zinc/03/71/26/424037126.db2.gz LBUAWKHWANLSLJ-CYBMUJFWSA-N 2 0 284.448 1.310 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652241953 424125001 /nfs/dbraw/zinc/12/50/01/424125001.db2.gz JKDFWFSTOPNAFC-UHFFFAOYSA-N 2 0 296.459 1.631 10 0 CDAERP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653055673 424179668 /nfs/dbraw/zinc/17/96/68/424179668.db2.gz JWFFMBPKSMUTIN-UPJWGTAASA-N 2 0 253.390 1.151 10 0 CDAERP CC[NH+](CC)CCCCNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653110315 424277866 /nfs/dbraw/zinc/27/78/66/424277866.db2.gz CQDQHMKKSLSNKR-CABCVRRESA-N 2 0 281.444 1.755 10 0 CDAERP CCOCCC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652362829 424313283 /nfs/dbraw/zinc/31/32/83/424313283.db2.gz RAQNOQSQUSANQE-RRFJBIMHSA-N 2 0 270.417 1.774 10 0 CDAERP CC[C@@H]([NH2+]C)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000662685208 424314651 /nfs/dbraw/zinc/31/46/51/424314651.db2.gz QBHKSNBXVVBIAU-ZIAGYGMSSA-N 2 0 277.368 1.284 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655686627 424386253 /nfs/dbraw/zinc/38/62/53/424386253.db2.gz NHZMRUYKJVCOIE-WBVHZDCISA-N 2 0 297.487 1.950 10 0 CDAERP CC[NH2+]CCCNC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000519531910 265457220 /nfs/dbraw/zinc/45/72/20/265457220.db2.gz MYUZCYDHWBILRY-UHFFFAOYSA-N 2 0 292.427 1.199 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000659619657 424415069 /nfs/dbraw/zinc/41/50/69/424415069.db2.gz QHARWPSVOBEBCT-CHWSQXEVSA-N 2 0 270.421 1.130 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@](C)([NH3+])c2ccccc2)C1 ZINC000655489183 424504312 /nfs/dbraw/zinc/50/43/12/424504312.db2.gz MXBTWKJLDBLUOC-BJJXKVORSA-N 2 0 275.396 1.317 10 0 CDAERP C[C@@H](C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]([NH3+])c1ccccc1 ZINC000655488982 424504373 /nfs/dbraw/zinc/50/43/73/424504373.db2.gz KOTDSRKBXFPVBB-LUYZLQTOSA-N 2 0 289.423 1.779 10 0 CDAERP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)CC1([NH3+])CC1 ZINC000662886870 424545045 /nfs/dbraw/zinc/54/50/45/424545045.db2.gz PLXNIGLONUFPCC-LBPRGKRZSA-N 2 0 253.390 1.104 10 0 CDAERP CN(CC[N@H+](C)C1CC1)C(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653156301 424555805 /nfs/dbraw/zinc/55/58/05/424555805.db2.gz XEUREAJUYLMNPZ-ZIAGYGMSSA-N 2 0 265.401 1.070 10 0 CDAERP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)CC2(O)CCC2)C1 ZINC000528400709 270811530 /nfs/dbraw/zinc/81/15/30/270811530.db2.gz QNDHHLZHKZDHCC-HUUCEWRRSA-N 2 0 284.444 1.316 10 0 CDAERP COCCCC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530239713 271177229 /nfs/dbraw/zinc/17/72/29/271177229.db2.gz HEALPJRFEFGIOX-OAHLLOKOSA-N 2 0 270.417 1.504 10 0 CDAERP CC(C)(C)[NH2+]CCN1CCC(C)([NH+]2CCOCC2)CC1 ZINC000530242818 271178992 /nfs/dbraw/zinc/17/89/92/271178992.db2.gz DLQFOJZTNGIHFW-UHFFFAOYSA-N 2 0 283.460 1.561 10 0 CDAERP CC(C)(C)[NH2+]CCN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530248290 271183261 /nfs/dbraw/zinc/18/32/61/271183261.db2.gz IERRPMTWAVYXFU-OAHLLOKOSA-N 2 0 283.460 1.465 10 0 CDAERP C[C@H](CC[NH2+]CCC1CC1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001668113516 1173371634 /nfs/dbraw/zinc/37/16/34/1173371634.db2.gz WRYJRBJRVBEQNW-UKRRQHHQSA-N 2 0 281.444 1.755 10 0 CDAERP CCC[NH2+]CCNC(=O)NCC1CC[NH+](CCC)CC1 ZINC000417385123 276266084 /nfs/dbraw/zinc/26/60/84/276266084.db2.gz DFRUYPWEFZXZFL-UHFFFAOYSA-N 2 0 284.448 1.407 10 0 CDAERP CC[N@H+](CCNC(=O)NCC[NH+]1CC=C(C)CC1)C1CC1 ZINC000358183606 276346690 /nfs/dbraw/zinc/34/66/90/276346690.db2.gz FJPIAGRERRJJCD-UHFFFAOYSA-N 2 0 294.443 1.422 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCCc3n[nH]cc32)CC1 ZINC000368617595 276383964 /nfs/dbraw/zinc/38/39/64/276383964.db2.gz XRVDMCGWKWWIMF-OAHLLOKOSA-N 2 0 291.443 1.404 10 0 CDAERP C[C@@H]1CN(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)CC[C@@H]1[NH3+] ZINC000417541541 287907831 /nfs/dbraw/zinc/90/78/31/287907831.db2.gz YSNGDZHXJGICQJ-TUVASFSCSA-N 2 0 296.459 1.628 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CC12CCSCC2 ZINC000423567217 277245784 /nfs/dbraw/zinc/24/57/84/277245784.db2.gz ZXGMRZGBKQFIJG-QWHCGFSZSA-N 2 0 272.458 1.863 10 0 CDAERP COCCN1CC[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)C1 ZINC000336893952 277528404 /nfs/dbraw/zinc/52/84/04/277528404.db2.gz LIKODDQZYDLQOK-CQSZACIVSA-N 2 0 269.433 1.029 10 0 CDAERP C[C@@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)[C@H](C)[NH3+] ZINC000417834369 278324992 /nfs/dbraw/zinc/32/49/92/278324992.db2.gz UYIGDTQGTBRLHM-NWDGAFQWSA-N 2 0 282.432 1.428 10 0 CDAERP C[C@H](C(N)=O)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000246341224 279240367 /nfs/dbraw/zinc/24/03/67/279240367.db2.gz LKBXHGDFEYUOHK-HZSPNIEDSA-N 2 0 297.443 1.072 10 0 CDAERP CC[NH+]1CCC(CC[NH2+][C@H]2CNCC[C@H]2C)CC1 ZINC000422786452 279257235 /nfs/dbraw/zinc/25/72/35/279257235.db2.gz OVIFQFVRJOOLJK-HIFRSBDPSA-N 2 0 253.434 1.696 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC000336092301 279294537 /nfs/dbraw/zinc/29/45/37/279294537.db2.gz HFBIXZXPHHXWNO-GDBMZVCRSA-N 2 0 294.443 1.208 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000127815591 279349921 /nfs/dbraw/zinc/34/99/21/279349921.db2.gz PWUWEXRADDJDSE-CHWSQXEVSA-N 2 0 255.406 1.268 10 0 CDAERP C[C@H]([NH2+][C@H]1COc2ccc(F)cc2C1)C1C[NH2+]C1 ZINC000335221319 279552357 /nfs/dbraw/zinc/55/23/57/279552357.db2.gz DTHDDSONSUANND-TVQRCGJNSA-N 2 0 250.317 1.327 10 0 CDAERP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccnc2ccccc12 ZINC000228725907 280109057 /nfs/dbraw/zinc/10/90/57/280109057.db2.gz WHLXLULIJYLZEN-INIZCTEOSA-N 2 0 273.380 1.637 10 0 CDAERP C[C@]1(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)CC[NH2+]C1 ZINC000261710961 280154179 /nfs/dbraw/zinc/15/41/79/280154179.db2.gz DNINQGWTTJHIEJ-ILXRZTDVSA-N 2 0 252.402 1.735 10 0 CDAERP CC[C@H]1CN(CC[NH+]2CCCCC2)CC[N@@H+]1C[C@H](C)O ZINC000246787199 280304172 /nfs/dbraw/zinc/30/41/72/280304172.db2.gz PQTYZPWZVLKGMO-HOTGVXAUSA-N 2 0 283.460 1.249 10 0 CDAERP CC(C)(C)[C@H](O)C[C@H](CO)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000521899179 281076767 /nfs/dbraw/zinc/07/67/67/281076767.db2.gz MPGIDKLRSUYCPC-FDYHWXHSSA-N 2 0 258.406 1.004 10 0 CDAERP O[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCCO1 ZINC000527757402 281177858 /nfs/dbraw/zinc/17/78/58/281177858.db2.gz OZKJEFPGGNRJNP-SJORKVTESA-N 2 0 296.455 1.913 10 0 CDAERP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H](O)CC2(O)CCC2)CC1 ZINC000528478572 281242083 /nfs/dbraw/zinc/24/20/83/281242083.db2.gz UJGFQDSVKBYSGI-KGLIPLIRSA-N 2 0 270.417 1.069 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC1CC[NH+](C(C)(C)C)CC1 ZINC000261559164 288322799 /nfs/dbraw/zinc/32/27/99/288322799.db2.gz DMNGRHZUXSZANM-OCCSQVGLSA-N 2 0 253.434 1.837 10 0 CDAERP CCN(CC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)C(=O)CC[NH+](C)C ZINC001668542466 1173425210 /nfs/dbraw/zinc/42/52/10/1173425210.db2.gz PWHPJRSBTJUNRY-OWCLPIDISA-N 2 0 295.471 1.812 10 0 CDAERP CCN(CC[NH2+]C[C@H](C)O)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001668575359 1173429705 /nfs/dbraw/zinc/42/97/05/1173429705.db2.gz QPMYVBWSIGBIQX-GJZGRUSLSA-N 2 0 299.459 1.068 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)[C@@H]1C ZINC000423376557 288761349 /nfs/dbraw/zinc/76/13/49/288761349.db2.gz AVLFXQHHMICONM-WYUUTHIRSA-N 2 0 279.350 1.457 10 0 CDAERP C[NH+](C)CCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000093453031 289111698 /nfs/dbraw/zinc/11/16/98/289111698.db2.gz HVHGGEWFRZNCGM-KFWWJZLASA-N 3 0 253.434 1.839 10 0 CDAERP C[C@@]1(CN2CCC([NH+]3CCCCC3)CC2)CC[NH2+]C1 ZINC000062911498 289163631 /nfs/dbraw/zinc/16/36/31/289163631.db2.gz JOASKHLOXMEQSP-MRXNPFEDSA-N 2 0 265.445 1.936 10 0 CDAERP C[C@H](C(=O)N(C)[C@@H]1CC[NH+](C2CC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000444010645 289254692 /nfs/dbraw/zinc/25/46/92/289254692.db2.gz HBWDGUOENWWBHL-HLPPOEQASA-N 2 0 293.455 1.943 10 0 CDAERP CC(C)C[C@H]([NH2+]CC1=CCCOC1)C(=O)NCC[NH+](C)C ZINC000157323064 289284236 /nfs/dbraw/zinc/28/42/36/289284236.db2.gz YQXZKTYXNPICOG-HNNXBMFYSA-N 2 0 297.443 1.015 10 0 CDAERP C[NH+](C)[C@H]1CCCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000431781879 289369272 /nfs/dbraw/zinc/36/92/72/289369272.db2.gz DRKXVVCXYCYABI-CABCVRRESA-N 2 0 281.444 1.804 10 0 CDAERP C[C@@H](CC[NH+](C)C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000540928677 289470043 /nfs/dbraw/zinc/47/00/43/289470043.db2.gz VDHCVJJAKDUYKZ-ZDUSSCGKSA-N 2 0 278.400 1.364 10 0 CDAERP C[C@H]([NH3+])C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000246255139 289765837 /nfs/dbraw/zinc/76/58/37/289765837.db2.gz ISOWHKFBDLPYAA-MYPMTAMASA-N 2 0 279.428 1.493 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC000553461124 290120512 /nfs/dbraw/zinc/12/05/12/290120512.db2.gz IJOMIVSPFZVFBP-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[C@@H](C(=O)N1CCC[C@H]([NH+](C)C)C1)[NH+](C)C ZINC000161965995 292816861 /nfs/dbraw/zinc/81/68/61/292816861.db2.gz OQCRPHSEKMZKBS-STQMWFEESA-N 2 0 255.406 1.269 10 0 CDAERP COC[C@](C)(O)CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000453246049 293262243 /nfs/dbraw/zinc/26/22/43/293262243.db2.gz CIYCSSHCQLZOEG-LJISPDSOSA-N 2 0 270.417 1.236 10 0 CDAERP CCCN(C(=O)COC1CCC([NH3+])CC1)C1CC[NH2+]CC1 ZINC000565479580 293620125 /nfs/dbraw/zinc/62/01/25/293620125.db2.gz HBCRHLJRKMBYDU-UHFFFAOYSA-N 2 0 297.443 1.264 10 0 CDAERP C[C@H]([NH3+])[C@H](C)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000568631187 294072331 /nfs/dbraw/zinc/07/23/31/294072331.db2.gz WCSUKYUWWKUTKR-MJVIPROJSA-N 2 0 261.369 1.054 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])[C@@H]1n1cccn1 ZINC000570562050 294261444 /nfs/dbraw/zinc/26/14/44/294261444.db2.gz KCWMGOMIIPANMX-LJIZCISZSA-N 2 0 292.427 1.709 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H](CO)Cc2ccc(F)c(F)c2)C1 ZINC000571061496 294363683 /nfs/dbraw/zinc/36/36/83/294363683.db2.gz VXJPZMDWCBJRFD-MJBXVCDLSA-N 2 0 298.377 1.975 10 0 CDAERP CC(C)[NH2+]CCC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000571439185 294437303 /nfs/dbraw/zinc/43/73/03/294437303.db2.gz LEHWNXUNEAEXHH-UHFFFAOYSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000573699276 294871599 /nfs/dbraw/zinc/87/15/99/294871599.db2.gz HOOCWNJZZMUVFV-CWRNSKLLSA-N 2 0 279.428 1.496 10 0 CDAERP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000575043794 295091223 /nfs/dbraw/zinc/09/12/23/295091223.db2.gz RGLNGZPMTPMRRB-XUXIUFHCSA-N 2 0 267.417 1.364 10 0 CDAERP [NH3+]CCCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000416845370 295230891 /nfs/dbraw/zinc/23/08/91/295230891.db2.gz RQQNOHOSJSRKSG-LBPRGKRZSA-N 2 0 296.440 1.533 10 0 CDAERP [NH3+]C[C@H](NC(=O)[C@@H]1CC[C@H]([NH3+])C1)C1CCCCC1 ZINC000262607248 295263608 /nfs/dbraw/zinc/26/36/08/295263608.db2.gz TVUYZEJCHODMHE-AGIUHOORSA-N 2 0 253.390 1.138 10 0 CDAERP [NH3+][C@H]1CC[C@@H](C(=O)N2CCC[N@@H+](C3CCCC3)CC2)C1 ZINC000262646430 295340857 /nfs/dbraw/zinc/34/08/57/295340857.db2.gz OIWSIYBKOLQDPL-KGLIPLIRSA-N 2 0 279.428 1.591 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000416820204 297106289 /nfs/dbraw/zinc/10/62/89/297106289.db2.gz BVKTZAKHYYBERO-KGLIPLIRSA-N 2 0 296.459 1.548 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC1CC[NH+](C(C)(C)C)CC1 ZINC000261559165 297109667 /nfs/dbraw/zinc/10/96/67/297109667.db2.gz DMNGRHZUXSZANM-TZMCWYRMSA-N 2 0 253.434 1.837 10 0 CDAERP C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000414946912 298287355 /nfs/dbraw/zinc/28/73/55/298287355.db2.gz UYSZDWVCAKVUKL-ZNMIVQPWSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]CCCF)[NH+]1CCCC1 ZINC001669482387 1173554808 /nfs/dbraw/zinc/55/48/08/1173554808.db2.gz KNIGZONOVARGMZ-KGLIPLIRSA-N 2 0 287.423 1.561 10 0 CDAERP C[C@@H](C[NH2+]CCCF)NC(=O)C12CCC[NH+]1CCC2 ZINC001669603197 1173574485 /nfs/dbraw/zinc/57/44/85/1173574485.db2.gz BPBDRBIUGHTAOL-LBPRGKRZSA-N 2 0 271.380 1.069 10 0 CDAERP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)[C@@H](C)C1CCCCC1 ZINC000567102469 316736663 /nfs/dbraw/zinc/73/66/63/316736663.db2.gz CEVIDQLJTINLGU-KGLIPLIRSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@H](CC(F)F)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000578318295 323897467 /nfs/dbraw/zinc/89/74/67/323897467.db2.gz QCSHOMVWGFHHKW-GFCCVEGCSA-N 2 0 293.402 1.620 10 0 CDAERP C[NH+]1CCN(C[C@H](O)C[NH2+]CCCC2CCCC2)CC1 ZINC000582892346 325063513 /nfs/dbraw/zinc/06/35/13/325063513.db2.gz OTGMMAPHABTMIN-MRXNPFEDSA-N 2 0 283.460 1.155 10 0 CDAERP CC[C@@H]1C[N@H+](C)CCN1C(=O)NCC1([NH3+])CCCCCC1 ZINC000583861570 325254514 /nfs/dbraw/zinc/25/45/14/325254514.db2.gz QKKQYIGLRRPFLS-CQSZACIVSA-N 2 0 296.459 1.774 10 0 CDAERP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C[NH2+]CCC1CC1 ZINC001732366271 1159785944 /nfs/dbraw/zinc/78/59/44/1159785944.db2.gz NCIUOQGZVKQABI-ZFWWWQNUSA-N 2 0 281.444 1.470 10 0 CDAERP CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]CCCF ZINC001269174140 1160040183 /nfs/dbraw/zinc/04/01/83/1160040183.db2.gz JANUDQMSKXXYCN-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCC1CC1 ZINC001732956397 1160341645 /nfs/dbraw/zinc/34/16/45/1160341645.db2.gz HANPNNTVWBHCIX-HIFRSBDPSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H]([NH3+])CC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000662687005 482419816 /nfs/dbraw/zinc/41/98/16/482419816.db2.gz TWHHPMIEAQYCJI-ZWNOBZJWSA-N 2 0 263.341 1.023 10 0 CDAERP [NH3+]CC1(CCNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000652132714 482444438 /nfs/dbraw/zinc/44/44/38/482444438.db2.gz UCGQZCISRGTBGR-OLZOCXBDSA-N 2 0 280.416 1.041 10 0 CDAERP CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000675182471 482500984 /nfs/dbraw/zinc/50/09/84/482500984.db2.gz SKFGUBQRZLQMJX-ZIAGYGMSSA-N 2 0 282.432 1.254 10 0 CDAERP O=C(Nc1cccc2c1CC[NH2+]C2)[C@@H]1CCC[NH2+]C1 ZINC000669510871 482520495 /nfs/dbraw/zinc/52/04/95/482520495.db2.gz MAFKLADHFLNQDX-GFCCVEGCSA-N 2 0 259.353 1.270 10 0 CDAERP [NH3+]C1(CC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CCC1 ZINC000669518337 482545665 /nfs/dbraw/zinc/54/56/65/482545665.db2.gz MTPPMKZXOWELIC-UHFFFAOYSA-N 2 0 277.343 1.681 10 0 CDAERP C[C@H](NC(=O)CC[C@@H]1CCCC[N@@H+]1C)[C@@H]1CN(C)CCO1 ZINC000673017338 482663996 /nfs/dbraw/zinc/66/39/96/482663996.db2.gz QHTHMZQYEWQRCA-KKUMJFAQSA-N 2 0 297.443 1.086 10 0 CDAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CCC(=O)N1 ZINC000093516611 482718067 /nfs/dbraw/zinc/71/80/67/482718067.db2.gz CBJHXHSUKTVXEC-AGIUHOORSA-N 2 0 253.390 1.165 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334407700 482724771 /nfs/dbraw/zinc/72/47/71/482724771.db2.gz RKHDLJOTVRDJLK-GOEBONIOSA-N 2 0 279.428 1.463 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000228232066 482786556 /nfs/dbraw/zinc/78/65/56/482786556.db2.gz RMOOLKIXYJULQL-IHRRRGAJSA-N 2 0 265.401 1.058 10 0 CDAERP CC[C@H]([NH2+][C@H](CCC[NH3+])COC)[C@@H]1CCCCO1 ZINC000656201242 482791517 /nfs/dbraw/zinc/79/15/17/482791517.db2.gz LKIVUJDZMZIQGZ-RDBSUJKOSA-N 2 0 258.406 1.678 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000673663259 482804757 /nfs/dbraw/zinc/80/47/57/482804757.db2.gz XNJHFBLBPRECKB-FRRDWIJNSA-N 2 0 253.390 1.070 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000673663262 482805176 /nfs/dbraw/zinc/80/51/76/482805176.db2.gz XNJHFBLBPRECKB-UPJWGTAASA-N 2 0 253.390 1.070 10 0 CDAERP O=C([C@H]1[NH2+]CCc2ccccc21)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000520771014 482869019 /nfs/dbraw/zinc/86/90/19/482869019.db2.gz IPRPHPAZIUKYFL-WMZOPIPTSA-N 2 0 299.418 1.476 10 0 CDAERP [NH3+][C@H](CC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000335849411 482876653 /nfs/dbraw/zinc/87/66/53/482876653.db2.gz MBMZWRONGYDEIT-WBVHZDCISA-N 2 0 287.407 1.679 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)C[C@H]([NH3+])C(C)C)CC1 ZINC000136412105 482917664 /nfs/dbraw/zinc/91/76/64/482917664.db2.gz PUXOTTUCPGMVDN-AWEZNQCLSA-N 2 0 269.433 1.693 10 0 CDAERP CCC[N@@H+]1CC[C@@H](NC(=O)N(CC)[C@@H]2CC[NH+](CC)C2)C1 ZINC000666920322 482986959 /nfs/dbraw/zinc/98/69/59/482986959.db2.gz SIGQJLIVZUSAQA-HUUCEWRRSA-N 2 0 296.459 1.596 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC000234709862 483145471 /nfs/dbraw/zinc/14/54/71/483145471.db2.gz WURXEDDWVZNECO-CQSZACIVSA-N 2 0 299.459 1.367 10 0 CDAERP C[C@@H](NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1nccn1C ZINC000667253958 483178189 /nfs/dbraw/zinc/17/81/89/483178189.db2.gz MNWMTSKEAIKUKH-CHWSQXEVSA-N 2 0 289.383 1.137 10 0 CDAERP C[C@@H]1C[C@@H](C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CCO1 ZINC000679331779 483245566 /nfs/dbraw/zinc/24/55/66/483245566.db2.gz AGMGQMDCNHLOSL-IXDOHACOSA-N 2 0 295.471 1.513 10 0 CDAERP CC(C)C[C@H](CNC(=O)[C@@]1(C)CCCC[NH2+]1)[NH+](C)C ZINC000136198016 483380815 /nfs/dbraw/zinc/38/08/15/483380815.db2.gz AZIMAIZMGMBJSL-UKRRQHHQSA-N 2 0 269.433 1.611 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667785158 483425787 /nfs/dbraw/zinc/42/57/87/483425787.db2.gz IKUGQZCVZYATKK-BMFZPTHFSA-N 2 0 281.444 1.170 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H]2CO[C@H](C3CC3)C2)C1 ZINC000668159278 483589399 /nfs/dbraw/zinc/58/93/99/483589399.db2.gz PRIHAEOXLROOEV-YUELXQCFSA-N 2 0 252.402 1.874 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)[C@@H]2[C@H](C)CCC[C@@H]2[NH3+])CC1 ZINC000055132135 519724615 /nfs/dbraw/zinc/72/46/15/519724615.db2.gz YLKXZRGWZJSJCY-QLFBSQMISA-N 2 0 281.444 1.550 10 0 CDAERP CC(C)C[NH+]1CCN(Cc2ccc(NN)[nH+]c2)CC1 ZINC000055081569 519727177 /nfs/dbraw/zinc/72/71/77/519727177.db2.gz MXLDBJWSSLGBCW-UHFFFAOYSA-N 2 0 263.389 1.141 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CC[C@@H](C[N@@H+]2CCOC(C)(C)C2)O1 ZINC000052481901 519746493 /nfs/dbraw/zinc/74/64/93/519746493.db2.gz RDPGLOYXQRAGEA-CABCVRRESA-N 2 0 284.444 1.890 10 0 CDAERP CCCN[C@@H](CC[NH+]1CCC(C[NH+](C)C)CC1)C(=O)OC ZINC000062460592 519999439 /nfs/dbraw/zinc/99/94/39/519999439.db2.gz VUHRPCSKSCLPBT-HNNXBMFYSA-N 2 0 299.459 1.191 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000061269985 520065193 /nfs/dbraw/zinc/06/51/93/520065193.db2.gz KLJZQTYRBXAFNF-STQMWFEESA-N 2 0 255.406 1.365 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000061269988 520166767 /nfs/dbraw/zinc/16/67/67/520166767.db2.gz KLJZQTYRBXAFNF-CHWSQXEVSA-N 2 0 255.406 1.365 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCCF)C[C@H]1C ZINC001733336008 1161238149 /nfs/dbraw/zinc/23/81/49/1161238149.db2.gz POIKJCLBOVNTBE-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1CC[NH2+]C1CCCCC1 ZINC000061655119 521838777 /nfs/dbraw/zinc/83/87/77/521838777.db2.gz WHKSQBFYWLQEIL-HNNXBMFYSA-N 2 0 253.434 1.935 10 0 CDAERP CC(C)[NH+](C)CC(=O)N[C@H](C)C[N@H+](C)CC1CC1 ZINC001722916371 1181493609 /nfs/dbraw/zinc/49/36/09/1181493609.db2.gz LOZCYOCGBWEVRO-GFCCVEGCSA-N 2 0 255.406 1.173 10 0 CDAERP CC(C)n1ccc(C[C@@H](C)[NH2+]CC2=CC[NH2+]CC2)n1 ZINC000423349161 517497306 /nfs/dbraw/zinc/49/73/06/517497306.db2.gz VVHQWUQYRPZYFO-CYBMUJFWSA-N 2 0 262.401 1.904 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)[C@@H]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC000055131873 519621881 /nfs/dbraw/zinc/62/18/81/519621881.db2.gz PMWVKJKKOOVWDG-UPJWGTAASA-N 2 0 255.406 1.206 10 0 CDAERP CC(C)CC[NH+]1CCC(CNC(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000236714201 519653589 /nfs/dbraw/zinc/65/35/89/519653589.db2.gz WFSQVCGLHXOUBZ-HOTGVXAUSA-N 2 0 295.471 1.988 10 0 CDAERP CC(C)[NH+]1CCC(C[NH3+])(N2CCC[C@H]2C[NH+](C)C)CC1 ZINC000061642984 519669257 /nfs/dbraw/zinc/66/92/57/519669257.db2.gz BOQYHPMPFMAHFG-HNNXBMFYSA-N 3 0 282.476 1.214 10 0 CDAERP CC(C)[NH+]1CCC(C[NH3+])(N(C)Cc2nccn2C)CC1 ZINC000062249729 519669355 /nfs/dbraw/zinc/66/93/55/519669355.db2.gz FMUQHFYNLCZETQ-UHFFFAOYSA-N 2 0 279.432 1.054 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CC[C@@H](COCC[NH+]2CCCC2)O1 ZINC000052670469 519724092 /nfs/dbraw/zinc/72/40/92/519724092.db2.gz VYJQBPCGUWZSCH-GJZGRUSLSA-N 2 0 270.417 1.644 10 0 CDAERP CC(C)[NH2+]C[C@H]1CC[C@H](CN2CCC([NH+](C)C)CC2)O1 ZINC000052477794 519725817 /nfs/dbraw/zinc/72/58/17/519725817.db2.gz YRTRFTXHKKPGDL-HZPDHXFCSA-N 2 0 283.460 1.558 10 0 CDAERP CC(C)C[NH+]1CCN(C[C@H](C)C[NH2+]C(C)C)CC1 ZINC000055083041 519726542 /nfs/dbraw/zinc/72/65/42/519726542.db2.gz APOWWMYSKVUSAX-OAHLLOKOSA-N 2 0 255.450 1.894 10 0 CDAERP CC(C)[C@H]([NH3+])C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000181362685 519817268 /nfs/dbraw/zinc/81/72/68/519817268.db2.gz SMWMXNRLJYWMOC-HIFRSBDPSA-N 2 0 293.411 1.906 10 0 CDAERP CCC[NH2+]CC1(C[N@H+](C)C2CCOCC2)CCOCC1 ZINC000052181919 519909730 /nfs/dbraw/zinc/90/97/30/519909730.db2.gz VYUXTWXNTHZEOZ-UHFFFAOYSA-N 2 0 284.444 1.894 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@@H](C[NH+]2CCC(C[NH+](C)C)CC2)O1 ZINC000052515449 519925375 /nfs/dbraw/zinc/92/53/75/519925375.db2.gz CWRVSJWFMRALEE-IRXDYDNUSA-N 3 0 297.487 1.807 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@H](C[N@@H+]2CCOC(C)(C)C2)O1 ZINC000052481887 519938488 /nfs/dbraw/zinc/93/84/88/519938488.db2.gz KGIYLCRCAMTLLB-ZIAGYGMSSA-N 2 0 270.417 1.644 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@H](CN2CC[NH+](CC)CC2)O1 ZINC000052422492 519939359 /nfs/dbraw/zinc/93/93/59/519939359.db2.gz AQKIDZLNLQPIPG-HUUCEWRRSA-N 2 0 269.433 1.171 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@@H](CN2CC[NH+](C3CCCC3)CC2)O1 ZINC000052573548 519954330 /nfs/dbraw/zinc/95/43/30/519954330.db2.gz PQMQGUDRNYWOBT-IRXDYDNUSA-N 2 0 295.471 1.704 10 0 CDAERP CC[NH2+]C[C@@]1(CN2CC[NH+](CC(C)C)CC2)CCOC1 ZINC000055081717 519957572 /nfs/dbraw/zinc/95/75/72/519957572.db2.gz NILAIMRVHWCGSN-MRXNPFEDSA-N 2 0 283.460 1.276 10 0 CDAERP CC[NH2+]Cc1ccccc1OCC[N@H+](C)CCOC ZINC000052572844 520009243 /nfs/dbraw/zinc/00/92/43/520009243.db2.gz XYYYINCJWOQXEV-UHFFFAOYSA-N 2 0 266.385 1.753 10 0 CDAERP CCCCCCOC[C@H](O)C[NH2+][C@@H](C)CC[NH+](C)C ZINC000049557219 520099737 /nfs/dbraw/zinc/09/97/37/520099737.db2.gz AFKVENJDDBZQQI-LSDHHAIUSA-N 2 0 274.449 1.874 10 0 CDAERP CC[NH2+][C@@H]1CCC[C@H]1CN1CCC[C@@H]1C[NH+](C)C ZINC000061653562 520119036 /nfs/dbraw/zinc/11/90/36/520119036.db2.gz XVYRFJYBXKIPGL-RRFJBIMHSA-N 2 0 253.434 1.791 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000061272935 520165938 /nfs/dbraw/zinc/16/59/38/520165938.db2.gz ZKTNEJIZMXZVIU-ZIAGYGMSSA-N 2 0 269.433 1.613 10 0 CDAERP CC[NH+](CC)CCNC(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050931362 520670103 /nfs/dbraw/zinc/67/01/03/520670103.db2.gz WMJRYGGQSHEBEG-ZDUSSCGKSA-N 2 0 255.406 1.367 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000055090153 520734066 /nfs/dbraw/zinc/73/40/66/520734066.db2.gz OWFHUFYXOMAPGG-AVGNSLFASA-N 2 0 255.406 1.350 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(Cc2ccc(NN)[nH+]c2)C1 ZINC000062969615 520846387 /nfs/dbraw/zinc/84/63/87/520846387.db2.gz QLKCXUIEYQWMMZ-CYBMUJFWSA-N 2 0 263.389 1.283 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000227696675 521621181 /nfs/dbraw/zinc/62/11/81/521621181.db2.gz ORYDUWOWRKYZEF-TZMCWYRMSA-N 2 0 253.390 1.119 10 0 CDAERP CCC1(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC[NH2+]CC1 ZINC000062849089 521663253 /nfs/dbraw/zinc/66/32/53/521663253.db2.gz JCYVVYUOXWWUKV-ZDUSSCGKSA-N 2 0 265.401 1.073 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1[C@@H]1COc2ccccc2[C@@H]1[NH3+] ZINC000061643454 521843999 /nfs/dbraw/zinc/84/39/99/521843999.db2.gz PIEWZYFUFLJFBH-BJJXKVORSA-N 2 0 275.396 1.473 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000061645000 521864422 /nfs/dbraw/zinc/86/44/22/521864422.db2.gz XNXJENXXMRMNDF-HUUCEWRRSA-N 2 0 275.396 1.109 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1Cc1ccc(C(N)=[NH2+])cc1F ZINC000061644692 521870918 /nfs/dbraw/zinc/87/09/18/521870918.db2.gz VEZXUJRPNQNAJN-CYBMUJFWSA-N 2 0 278.375 1.636 10 0 CDAERP CC[C@@H](C(N)=O)[N@H+](CCC[NH3+])C1CCCCCC1 ZINC000061676118 521894306 /nfs/dbraw/zinc/89/43/06/521894306.db2.gz MUBGFZASLGRVKM-ZDUSSCGKSA-N 2 0 255.406 1.624 10 0 CDAERP C[NH2+]C[C@@H](c1ccccc1)N1CCN(CC[NH+](C)C)CC1 ZINC000061654911 522037824 /nfs/dbraw/zinc/03/78/24/522037824.db2.gz AXPACEZIHSODKR-KRWDZBQOSA-N 2 0 290.455 1.126 10 0 CDAERP C[NH+](C)[C@@H]1CCN(C(=O)CCC2CCC([NH3+])CC2)C1 ZINC000062985432 522050294 /nfs/dbraw/zinc/05/02/94/522050294.db2.gz CCDZIOLRNUUQGA-JXQTWKCFSA-N 2 0 267.417 1.447 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)C[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000055131992 522111746 /nfs/dbraw/zinc/11/17/46/522111746.db2.gz PZBZAQIIGOZXTE-KFWWJZLASA-N 2 0 281.444 1.837 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(CC[NH2+]C2CCOCC2)CC1 ZINC000062767898 522121853 /nfs/dbraw/zinc/12/18/53/522121853.db2.gz KSBWOGHLAXPJJS-CQSZACIVSA-N 2 0 269.433 1.171 10 0 CDAERP CC[C@H]([NH3+])Cc1cnc(CC[NH+](CC)CC)nc1 ZINC000054858063 522335211 /nfs/dbraw/zinc/33/52/11/522335211.db2.gz RFDUWUNODJJCEX-ZDUSSCGKSA-N 2 0 250.390 1.641 10 0 CDAERP C[NH2+][C@@](C)(CCC[N@H+](CC(C)C)C1CC1)C(N)=O ZINC000045422451 522409063 /nfs/dbraw/zinc/40/90/63/522409063.db2.gz RHLBVNNOFSGATO-AWEZNQCLSA-N 2 0 255.406 1.350 10 0 CDAERP CN[C@@](C)(C[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1)C(=O)OC ZINC000068632235 522419263 /nfs/dbraw/zinc/41/92/63/522419263.db2.gz LNVBOLODAXPDHF-BBRMVZONSA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@@H]([NH3+])[C@@H](c1ccco1)N1CCN(CC[NH+](C)C)CC1 ZINC000061642381 522648125 /nfs/dbraw/zinc/64/81/25/522648125.db2.gz KFSKVTQKAZFIKN-ZBFHGGJFSA-N 2 0 294.443 1.237 10 0 CDAERP COCCC[N@H+](CCOC)C[C@H](C)C[NH2+]C(C)(C)C ZINC000052543222 523254097 /nfs/dbraw/zinc/25/40/97/523254097.db2.gz CPUIMHBPOSOFCK-CQSZACIVSA-N 2 0 274.449 1.996 10 0 CDAERP CN(C(=O)CCC1CCC([NH3+])CC1)[C@H]1CCC[N@H+](C)C1 ZINC000055131592 523797316 /nfs/dbraw/zinc/79/73/16/523797316.db2.gz BSXLKLHGOZYLGC-NRXISQOPSA-N 2 0 281.444 1.837 10 0 CDAERP C[C@H](C[NH+]1CCCC1)NCC[C@@H]1CCCC[N@@H+]1C ZINC000052205937 524317027 /nfs/dbraw/zinc/31/70/27/524317027.db2.gz IPEIJHVQZVROTM-CABCVRRESA-N 2 0 253.434 1.935 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000049502502 524605946 /nfs/dbraw/zinc/60/59/46/524605946.db2.gz MPJIVJHTPBIOIC-RDBSUJKOSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@@H]1CC[C@H](C(=O)N2CCC(C[NH+](C)C)CC2)C[C@@H]1[NH3+] ZINC000055134886 524630815 /nfs/dbraw/zinc/63/08/15/524630815.db2.gz CMLCFBJNBVBGEI-SNPRPXQTSA-N 2 0 281.444 1.550 10 0 CDAERP C[C@@H]1C[C@@H]([NH3+])CC[C@@H]1C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000061656217 525247699 /nfs/dbraw/zinc/24/76/99/525247699.db2.gz XGQMKZPPBZPJFM-RQJABVFESA-N 2 0 267.417 1.303 10 0 CDAERP C[C@@H]1C[C@H](C(=O)N2CC[NH+](C3CCCC3)CC2)CC[C@@H]1[NH3+] ZINC000055132588 525358231 /nfs/dbraw/zinc/35/82/31/525358231.db2.gz LQLDPIFFCCJIGF-FMKPAKJESA-N 2 0 293.455 1.837 10 0 CDAERP C[C@@H]1C[C@H](C(=O)N2CC[NH+](C(C)(C)C)CC2)CC[C@@H]1[NH3+] ZINC000055141059 525358867 /nfs/dbraw/zinc/35/88/67/525358867.db2.gz DKMIENXAINESFO-MCIONIFRSA-N 2 0 281.444 1.693 10 0 CDAERP O=C(NCC[NH+]1CCCCC1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000049575458 526307901 /nfs/dbraw/zinc/30/79/01/526307901.db2.gz HSDNUVMHABMTRJ-KKUMJFAQSA-N 2 0 279.428 1.509 10 0 CDAERP NC(=[NH2+])C[C@@H](c1ccccc1)[NH+]1CCC(CO)CC1 ZINC000055022650 526816275 /nfs/dbraw/zinc/81/62/75/526816275.db2.gz GISKTXFPRRBJKT-AWEZNQCLSA-N 2 0 261.369 1.758 10 0 CDAERP [NH3+]CCCCC[NH+]1CCN(CCOCC(F)(F)F)CC1 ZINC000049310722 527174019 /nfs/dbraw/zinc/17/40/19/527174019.db2.gz WCTKGUMOSNQPAK-UHFFFAOYSA-N 2 0 297.365 1.312 10 0 CDAERP [NH3+]CCCC[NH2+]Cc1ccc(O)c(Br)c1 ZINC000062702704 527176977 /nfs/dbraw/zinc/17/69/77/527176977.db2.gz WCCGXIQSLCZGSO-UHFFFAOYSA-N 2 0 273.174 1.983 10 0 CDAERP CCCN(C(=O)NC[C@@H]([NH3+])c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000418404617 535219159 /nfs/dbraw/zinc/21/91/59/535219159.db2.gz AGXKEPUNCYLJJO-LSDHHAIUSA-N 2 0 290.411 1.470 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)C1 ZINC000418602341 535257125 /nfs/dbraw/zinc/25/71/25/535257125.db2.gz VIPJVISMPBQZHZ-SOUVJXGZSA-N 2 0 296.459 1.358 10 0 CDAERP CCC[C@@](C)([NH3+])C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000262172499 535527337 /nfs/dbraw/zinc/52/73/37/535527337.db2.gz XMFQTOVNYNAZNK-GXTWGEPZSA-N 2 0 255.406 1.495 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC1CC[NH+](C)CC1 ZINC000176147350 535587089 /nfs/dbraw/zinc/58/70/89/535587089.db2.gz PVFDVMMPNIZOBU-AWEZNQCLSA-N 2 0 282.432 1.206 10 0 CDAERP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@]2(C1)CCCOC2 ZINC000342001101 536389752 /nfs/dbraw/zinc/38/97/52/536389752.db2.gz ZAGKTTFMHFQYPD-LSDHHAIUSA-N 2 0 252.402 1.973 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1cccc(OC)c1 ZINC000234731738 536596522 /nfs/dbraw/zinc/59/65/22/536596522.db2.gz YEIGNZISQAWGLA-CYBMUJFWSA-N 2 0 252.358 1.539 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000422767375 536596932 /nfs/dbraw/zinc/59/69/32/536596932.db2.gz QYGDWHBTMMOWMM-OAHLLOKOSA-N 2 0 288.395 1.716 10 0 CDAERP CCC[N@H+](C)CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001689870771 1174677783 /nfs/dbraw/zinc/67/77/83/1174677783.db2.gz ABZWPKSTBCFOBB-UHFFFAOYSA-N 2 0 283.460 1.955 10 0 CDAERP C[NH+]1CCN(c2cc(C[NH2+]Cc3ccoc3)ccn2)CC1 ZINC000727466676 574584295 /nfs/dbraw/zinc/58/42/95/574584295.db2.gz BKTUOETVCSTDGV-UHFFFAOYSA-N 2 0 286.379 1.716 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCC2OCCCO2)[C@H](C)C1 ZINC000754660131 576908083 /nfs/dbraw/zinc/90/80/83/576908083.db2.gz QJGSBHLQZZYINF-ZIAGYGMSSA-N 2 0 270.417 1.802 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCC2OCCCO2)[C@@H](C)C1 ZINC000754660125 576909154 /nfs/dbraw/zinc/90/91/54/576909154.db2.gz QJGSBHLQZZYINF-KBPBESRZSA-N 2 0 270.417 1.802 10 0 CDAERP CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001689052576 1175088333 /nfs/dbraw/zinc/08/83/33/1175088333.db2.gz OANFZOUWSMXQEW-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP CC1(C)[C@H]([NH2+]CCOC[C@@H]2CCOC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925567103 617515262 /nfs/dbraw/zinc/51/52/62/617515262.db2.gz NKHQHIHMOSJPJY-APIJFGDWSA-N 2 0 282.428 1.406 10 0 CDAERP OCC1(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)CCOCC1 ZINC000925615061 617560153 /nfs/dbraw/zinc/56/01/53/617560153.db2.gz DYYQMHCWBGZJMX-CYBMUJFWSA-N 2 0 268.401 1.040 10 0 CDAERP Cc1ccc([C@H](O)C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)o1 ZINC000925622807 617569336 /nfs/dbraw/zinc/56/93/36/617569336.db2.gz NADNWXPEJCEILK-KGYLQXTDSA-N 2 0 250.342 1.481 10 0 CDAERP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925813008 617758253 /nfs/dbraw/zinc/75/82/53/617758253.db2.gz QSGYQTXRDUOODP-PBHICJAKSA-N 2 0 291.439 1.775 10 0 CDAERP CC[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)[C@H]1CCOC1 ZINC000925842561 617875079 /nfs/dbraw/zinc/87/50/79/617875079.db2.gz AIRWCBAHOHMTMT-JKSUJKDBSA-N 2 0 283.460 1.467 10 0 CDAERP C([NH2+][C@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)[C@]12C[C@H]1CCC2 ZINC000925880476 617962441 /nfs/dbraw/zinc/96/24/41/617962441.db2.gz LDNSJJALUUTZGI-YXMSTPNBSA-N 2 0 264.413 1.923 10 0 CDAERP CC[C@H](C[C@@H](C)O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000926816514 617594270 /nfs/dbraw/zinc/59/42/70/617594270.db2.gz NIGCHOGCFLFXDX-YZDRTPDPSA-N 2 0 284.444 1.767 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCC2(O)CCOCC2)C1 ZINC000925672149 617632161 /nfs/dbraw/zinc/63/21/61/617632161.db2.gz UNLOJGFDBPQXKM-CHWSQXEVSA-N 2 0 270.417 1.414 10 0 CDAERP CC1(C)[C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925690870 617695636 /nfs/dbraw/zinc/69/56/36/617695636.db2.gz HVXIYMXUHHKRLF-MQYQWHSLSA-N 3 0 251.418 1.352 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000925783104 617700341 /nfs/dbraw/zinc/70/03/41/617700341.db2.gz CNISAVRANSJTNI-FQKPHLNHSA-N 2 0 251.418 1.304 10 0 CDAERP C1=C(C[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)CC[NH2+]C1 ZINC000925698502 617735445 /nfs/dbraw/zinc/73/54/45/617735445.db2.gz KFBHTVRUYIKURX-RRFJBIMHSA-N 2 0 250.386 1.701 10 0 CDAERP CC1(C)[C@H](N[C@H]2CCC[C@H]([NH3+])C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925697966 617735518 /nfs/dbraw/zinc/73/55/18/617735518.db2.gz BQNFJVBJEGOUIQ-PDWCTOEPSA-N 2 0 251.418 1.623 10 0 CDAERP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@@H]1CC[NH2+]C3(CCC3)C1)[NH2+]2 ZINC000925703272 617767208 /nfs/dbraw/zinc/76/72/08/617767208.db2.gz CPGNVDRQDGKSLN-XLWJZTARSA-N 2 0 263.429 1.780 10 0 CDAERP COC[C@H](CC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)OC ZINC000925714458 617824710 /nfs/dbraw/zinc/82/47/10/617824710.db2.gz RHHSANIGROUFMR-JYJNAYRXSA-N 2 0 284.444 1.796 10 0 CDAERP C[N@@H+]1CC[C@@H]2C[NH+]([C@@H]3CCN(C4CCC4)C3=O)C[C@@H]2C1 ZINC000931442261 617841020 /nfs/dbraw/zinc/84/10/20/617841020.db2.gz ZZOVYMMBCCVWBK-VNHYZAJKSA-N 2 0 277.412 1.023 10 0 CDAERP C[C@H](C[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1)C[NH+](C)C ZINC000926469919 617853693 /nfs/dbraw/zinc/85/36/93/617853693.db2.gz IBLPGHBHYCNYGY-YUELXQCFSA-N 2 0 254.418 1.979 10 0 CDAERP C[C@@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000925833382 617858599 /nfs/dbraw/zinc/85/85/99/617858599.db2.gz HIEXRLSWPBQICP-OUAUKWLOSA-N 2 0 267.339 1.599 10 0 CDAERP Cc1cc(CC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])nn1C ZINC000925834337 617861853 /nfs/dbraw/zinc/86/18/53/617861853.db2.gz NCUKBHMZSICUEB-TZMCWYRMSA-N 2 0 250.390 1.378 10 0 CDAERP CCO[C@H](CN[C@H]1C[C@H]([NH3+])CC(C)(C)C1)C[NH+](C)C ZINC000925839090 617870226 /nfs/dbraw/zinc/87/02/26/617870226.db2.gz PSNUGNLEHOFWQN-MELADBBJSA-N 2 0 271.449 1.449 10 0 CDAERP [NH3+][C@@H]1C[C@@H](NC[C@@H](n2cccn2)C(F)(F)F)C12CCC2 ZINC000925723650 617886128 /nfs/dbraw/zinc/88/61/28/617886128.db2.gz SRSBAAOTPBRIMY-GMTAPVOTSA-N 2 0 288.317 1.846 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CC2(CO1)CCOCC2 ZINC000925731374 618033503 /nfs/dbraw/zinc/03/35/03/618033503.db2.gz BCBDGOFZYRRLDP-WJTFHPDPSA-N 2 0 294.439 1.678 10 0 CDAERP CC(C)OCC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000923427788 618334841 /nfs/dbraw/zinc/33/48/41/618334841.db2.gz CKGSJWNIDKDSIW-MCIONIFRSA-N 2 0 258.406 1.079 10 0 CDAERP C[C@H](C[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1)N1CC[NH+](C)CC1 ZINC000924963471 618454478 /nfs/dbraw/zinc/45/44/78/618454478.db2.gz FLCPFNZOHFHZRO-OIISXLGYSA-N 2 0 295.471 1.417 10 0 CDAERP C[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)CC1 ZINC000928098903 618497839 /nfs/dbraw/zinc/49/78/39/618497839.db2.gz ZWWVDJGRXRQZDG-KBPBESRZSA-N 2 0 297.468 1.024 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC000895902769 619890807 /nfs/dbraw/zinc/89/08/07/619890807.db2.gz HNKCKPMNEMIXIM-HIFRSBDPSA-N 2 0 267.417 1.319 10 0 CDAERP COCC[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+]2C(C)(C)C)CC1 ZINC000896625796 620165801 /nfs/dbraw/zinc/16/58/01/620165801.db2.gz FHCALUVAOBTEEN-CQSZACIVSA-N 2 0 297.443 1.040 10 0 CDAERP CN1CCC[C@H]([N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)C1=O ZINC000866705971 621580447 /nfs/dbraw/zinc/58/04/47/621580447.db2.gz DGLKMCYCCOMSQD-WFASDCNBSA-N 2 0 267.417 1.304 10 0 CDAERP CC(C)[C@@H](C[NH2+][C@@H]1[C@@H](C)COC[C@H]1C)N1CC[NH+](C)CC1 ZINC000924631377 621610227 /nfs/dbraw/zinc/61/02/27/621610227.db2.gz MIUKWJVISILPQL-TWMKSMIVSA-N 2 0 297.487 1.519 10 0 CDAERP CC(C)[NH+]1CCC([NH2+][C@H]2CCc3nnn(C)c3C2)CC1 ZINC000927143530 621848404 /nfs/dbraw/zinc/84/84/04/621848404.db2.gz AIJXHDLRWHXLPP-ZDUSSCGKSA-N 2 0 277.416 1.135 10 0 CDAERP C[NH+](C)[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C12CCC2 ZINC000898825883 621888937 /nfs/dbraw/zinc/88/89/37/621888937.db2.gz LJFSJSZGBPRDME-AGIUHOORSA-N 2 0 265.401 1.070 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)[NH+](C)C1CC1 ZINC000900544902 623230450 /nfs/dbraw/zinc/23/04/50/623230450.db2.gz WHYXYLFWCIYTNK-BPLDGKMQSA-N 2 0 279.428 1.602 10 0 CDAERP C[C@H]1[C@H](NC(=O)Nc2cccc(C[NH+](C)C)c2)CC[N@@H+]1C ZINC000902928998 625649438 /nfs/dbraw/zinc/64/94/38/625649438.db2.gz OXSVPHRTOHSHNU-SWLSCSKDSA-N 2 0 290.411 1.962 10 0 CDAERP CCCn1cc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)nn1 ZINC000903043266 625792883 /nfs/dbraw/zinc/79/28/83/625792883.db2.gz TYMOFRYHZCDFLQ-RWMBFGLXSA-N 2 0 265.405 1.679 10 0 CDAERP C([NH2+][C@@H]1CCO[C@]12CCOC2)C1CC[NH+](C2CC2)CC1 ZINC000903158947 625870846 /nfs/dbraw/zinc/87/08/46/625870846.db2.gz DNNLIVCYDRSRCJ-CVEARBPZSA-N 2 0 280.412 1.398 10 0 CDAERP Cc1cc(CN2CC[NH+](C[C@@H]3CC[C@H]([NH3+])C3)CC2)no1 ZINC000903441534 625993011 /nfs/dbraw/zinc/99/30/11/625993011.db2.gz WXHYYWUXGFCJKF-KGLIPLIRSA-N 2 0 278.400 1.228 10 0 CDAERP CCC(CC)(C[NH2+]C[C@@H]1C[NH2+]C[C@H]1C)C(=O)OC ZINC000903458774 625994586 /nfs/dbraw/zinc/99/45/86/625994586.db2.gz JHJMGXCJZDVDLW-NEPJUHHUSA-N 2 0 256.390 1.411 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCCC[C@H]2CN2CCOCC2)C1 ZINC000903442447 625997120 /nfs/dbraw/zinc/99/71/20/625997120.db2.gz QXSKINVNKMEGLO-XHSDSOJGSA-N 2 0 281.444 1.301 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CCN(c2cc[nH+]cc2)CC1 ZINC000903445405 625998992 /nfs/dbraw/zinc/99/89/92/625998992.db2.gz KTEGWOJYYNJPSJ-KGLIPLIRSA-N 2 0 260.385 1.059 10 0 CDAERP FC(F)(F)OCCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903471264 626004012 /nfs/dbraw/zinc/00/40/12/626004012.db2.gz HONMJRQSHFVMRF-SECBINFHSA-N 2 0 252.280 1.787 10 0 CDAERP COC[C@H](C[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1)C(C)C ZINC000903494529 626011368 /nfs/dbraw/zinc/01/13/68/626011368.db2.gz ITAHOQOOQBRTOR-AYDFFVQHSA-N 2 0 298.427 1.117 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903542350 626016557 /nfs/dbraw/zinc/01/65/57/626016557.db2.gz SJJMRCMIKZCSGP-RCWTZXSCSA-N 2 0 265.323 1.053 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903542349 626016575 /nfs/dbraw/zinc/01/65/75/626016575.db2.gz SJJMRCMIKZCSGP-LMLFDSFASA-N 2 0 265.323 1.053 10 0 CDAERP C[C@]1(C2CC[NH+](C[C@@H]3CC[C@H]([NH3+])C3)CC2)COC(=O)N1 ZINC000903564265 626020941 /nfs/dbraw/zinc/02/09/41/626020941.db2.gz SIEAHCOUXRBXSI-OSAQELSMSA-N 2 0 281.400 1.324 10 0 CDAERP C(CN1CC[NH2+]CCC12CCOCC2)OC[C@@H]1CCCO1 ZINC000903817708 626096105 /nfs/dbraw/zinc/09/61/05/626096105.db2.gz FFWUNXDRACRAKA-HNNXBMFYSA-N 2 0 298.427 1.027 10 0 CDAERP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903873026 626127417 /nfs/dbraw/zinc/12/74/17/626127417.db2.gz DMKBGVJBIQRVRF-DKUMPPAJSA-N 3 0 253.434 1.822 10 0 CDAERP CC[C@@H](C)C[N@H+](C)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903886455 626133684 /nfs/dbraw/zinc/13/36/84/626133684.db2.gz SSQQFDJLGNWQOU-TZMCWYRMSA-N 2 0 266.433 1.824 10 0 CDAERP CCOCCOCC[N@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903914722 626134023 /nfs/dbraw/zinc/13/40/23/626134023.db2.gz VKJAXBBROWPUOI-GOOCMWNKSA-N 2 0 270.417 1.502 10 0 CDAERP O=C1CCCN1[C@@H]1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903893035 626134786 /nfs/dbraw/zinc/13/47/86/626134786.db2.gz OVLYIFXGIWREJN-WTXIUTQJSA-N 2 0 291.439 1.604 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@H+]2C[C@H](C)[C@H](C)C2)cnn1C ZINC000903896595 626136207 /nfs/dbraw/zinc/13/62/07/626136207.db2.gz VSSFVGGWCSAETK-MBNYWOFBSA-N 2 0 264.417 1.434 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CC[C@H](C3CC3)C2)cnn1C ZINC000903911093 626143972 /nfs/dbraw/zinc/14/39/72/626143972.db2.gz WWDSEUBUUQLDOI-ZFWWWQNUSA-N 2 0 276.428 1.578 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@@H]3C[C@@H]3C2)cnn1C ZINC000903933207 626153085 /nfs/dbraw/zinc/15/30/85/626153085.db2.gz LYNBWJWXRAGJRY-UMVBOHGHSA-N 2 0 262.401 1.188 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)cnn1C ZINC000903935980 626154125 /nfs/dbraw/zinc/15/41/25/626154125.db2.gz WZIYFINLDUNSHW-CQROYNQRSA-N 2 0 280.416 1.001 10 0 CDAERP C[C@@H]1CN(CC[NH2+]C(C)(C)C)CCN1c1cc[nH+]cc1 ZINC000903937431 626155449 /nfs/dbraw/zinc/15/54/49/626155449.db2.gz KSFKHIWQPSHQLW-CQSZACIVSA-N 2 0 276.428 1.980 10 0 CDAERP C[C@@H](CC1CCC1)[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903937933 626155625 /nfs/dbraw/zinc/15/56/25/626155625.db2.gz VROLXEKKOKHNTQ-JSGCOSHPSA-N 2 0 277.416 1.871 10 0 CDAERP CC(C)C[C@@H]([NH3+])CN1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000903937262 626155640 /nfs/dbraw/zinc/15/56/40/626155640.db2.gz GOAJRDXHMDYLME-LSDHHAIUSA-N 2 0 276.428 1.966 10 0 CDAERP C[C@H]1CN(C[C@@H]([NH3+])CC(F)F)CCN1c1cc[nH+]cc1 ZINC000903937771 626155780 /nfs/dbraw/zinc/15/57/80/626155780.db2.gz QZJGFDOGNBHZEL-RYUDHWBXSA-N 2 0 284.354 1.575 10 0 CDAERP COC[C@H]([NH2+]CC1CC[NH2+]CC1)[C@@H]1CCCOC1 ZINC000903959702 626159931 /nfs/dbraw/zinc/15/99/31/626159931.db2.gz MOUZFVCKNDUXDM-KGLIPLIRSA-N 2 0 256.390 1.017 10 0 CDAERP COc1ccc(CNC[C@H]2C[NH2+]CCC2(F)F)cc1O ZINC000903955186 626166669 /nfs/dbraw/zinc/16/66/69/626166669.db2.gz MFMJHXLSJCWQAF-LLVKDONJSA-N 2 0 286.322 1.735 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[NH2+]C(C)(C)/C=C/Cl)cnn1C ZINC000903988244 626175206 /nfs/dbraw/zinc/17/52/06/626175206.db2.gz PNHKRAUEZUARFB-BTDICHCPSA-N 2 0 284.835 1.967 10 0 CDAERP C[NH2+][C@H](C)Cc1noc(C(C)(C)[C@@H]([NH3+])C(C)C)n1 ZINC000905303417 626755729 /nfs/dbraw/zinc/75/57/29/626755729.db2.gz ALSFJSFHNBOJQB-KOLCDFICSA-N 2 0 254.378 1.481 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC000908256105 628081977 /nfs/dbraw/zinc/08/19/77/628081977.db2.gz DROCXCYNBRNWFA-SOUVJXGZSA-N 2 0 281.444 1.848 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(CC)[C@@H]2CC[NH+](C)C2)C1 ZINC000912307983 629918091 /nfs/dbraw/zinc/91/80/91/629918091.db2.gz VANNUSUETZKXFE-HUUCEWRRSA-N 2 0 281.444 1.661 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC([NH+]2CCCC2)C1 ZINC000912325275 629936955 /nfs/dbraw/zinc/93/69/55/629936955.db2.gz VKZUNAFRCZUANU-CQSZACIVSA-N 2 0 265.401 1.167 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912917109 630285555 /nfs/dbraw/zinc/28/55/55/630285555.db2.gz VHQWUONFFRGTFS-HZSPNIEDSA-N 2 0 265.401 1.166 10 0 CDAERP CC(C)[C@H](C(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1)[NH+](C)C ZINC000913281719 630432338 /nfs/dbraw/zinc/43/23/38/630432338.db2.gz BYABBJGDKYOHON-FVQBIDKESA-N 2 0 281.444 1.373 10 0 CDAERP O[C@H](C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)C1(O)CCCC1 ZINC000929690585 630707604 /nfs/dbraw/zinc/70/76/04/630707604.db2.gz USNLVOKCLKFDPC-HZPDHXFCSA-N 2 0 296.455 1.603 10 0 CDAERP C([C@@H]1CC[N@H+](C[C@@H]2C[C@H]3COC[C@@H]3O2)C1)[NH+]1CCCC1 ZINC000929695158 630708238 /nfs/dbraw/zinc/70/82/38/630708238.db2.gz GCDGXTREPXHJNG-VGWMRTNUSA-N 2 0 280.412 1.208 10 0 CDAERP C[NH+](C)CCCCCCCNC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000920920695 632855082 /nfs/dbraw/zinc/85/50/82/632855082.db2.gz RHPKDHFYYRGDDN-OAHLLOKOSA-N 2 0 298.475 1.892 10 0 CDAERP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC000692962886 1158468370 /nfs/dbraw/zinc/46/83/70/1158468370.db2.gz SWGDXFVRENFUAH-CVEARBPZSA-N 2 0 266.429 1.955 10 0 CDAERP CCCCC[N@H+](CC)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001691019660 1158535874 /nfs/dbraw/zinc/53/58/74/1158535874.db2.gz DPTSKPQKKWXSNR-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP CCCC[NH2+]C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001670545716 1158635079 /nfs/dbraw/zinc/63/50/79/1158635079.db2.gz YJMCEKTWYDAHMK-DZGCQCFKSA-N 2 0 281.444 1.613 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCCF)C1 ZINC001691184758 1158948938 /nfs/dbraw/zinc/94/89/38/1158948938.db2.gz XNXUDJRHVXADFJ-KKUMJFAQSA-N 2 0 299.434 1.705 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001691398698 1159051316 /nfs/dbraw/zinc/05/13/16/1159051316.db2.gz HRNIMTFGIJWDTN-UONOGXRCSA-N 2 0 269.433 1.517 10 0 CDAERP CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001691382014 1159044634 /nfs/dbraw/zinc/04/46/34/1159044634.db2.gz DNFKYOBTXSYGBX-ILXRZTDVSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001691488605 1159627389 /nfs/dbraw/zinc/62/73/89/1159627389.db2.gz AGJCFBKMJNWWKZ-KKUMJFAQSA-N 2 0 279.428 1.531 10 0 CDAERP C[C@H](C[NH2+]Cc1cncs1)NC(=O)C[N@H+](C)C1CCC1 ZINC001483137203 1160765501 /nfs/dbraw/zinc/76/55/01/1160765501.db2.gz MOVHOGPTZQWNPP-LLVKDONJSA-N 2 0 296.440 1.222 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001670885692 1161201950 /nfs/dbraw/zinc/20/19/50/1161201950.db2.gz ZSGSJOMHOIHFSB-ZDUSSCGKSA-N 2 0 267.417 1.367 10 0 CDAERP COCCC[NH2+]C1(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001670903900 1161346816 /nfs/dbraw/zinc/34/68/16/1161346816.db2.gz UPIVSVPBKASOIJ-KBPBESRZSA-N 2 0 297.443 1.134 10 0 CDAERP O=C(c1ccn(-c2cc[nH+]cc2)n1)N1CC[C@H]([NH+]2CCC2)C1 ZINC001646266235 1167734107 /nfs/dbraw/zinc/73/41/07/1167734107.db2.gz AYYYTJHKIZZYQV-AWEZNQCLSA-N 2 0 297.362 1.188 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001568176501 1169162186 /nfs/dbraw/zinc/16/21/86/1169162186.db2.gz WARQJJGPDGJSPB-CHWSQXEVSA-N 2 0 287.423 1.561 10 0 CDAERP C[C@@H]1CC[C@@H]([NH2+]CCC2(C[NH3+])CC2)[C@H](n2cncn2)C1 ZINC001649860049 1169442332 /nfs/dbraw/zinc/44/23/32/1169442332.db2.gz ABWNYCNTMIGKAL-MGPQQGTHSA-N 2 0 277.416 1.726 10 0 CDAERP C[C@H](C[NH2+]CC[C@H](C)F)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001568998981 1169586802 /nfs/dbraw/zinc/58/68/02/1169586802.db2.gz FCNZJBZIOOXNQM-UONOGXRCSA-N 2 0 299.434 1.705 10 0 CDAERP CCNc1cc(CNC(=O)N(C)CC[NH+](C)C)ccn1 ZINC001650549040 1171168015 /nfs/dbraw/zinc/16/80/15/1171168015.db2.gz OTOWIFFAYVXRFP-UHFFFAOYSA-N 2 0 279.388 1.216 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001661809493 1172449332 /nfs/dbraw/zinc/44/93/32/1172449332.db2.gz XYPJSNYSAUSURN-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001666563819 1173151873 /nfs/dbraw/zinc/15/18/73/1173151873.db2.gz WKZFJSPDSMHKKC-IJLUTSLNSA-N 2 0 264.373 1.265 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC(C)C ZINC001669751048 1173594321 /nfs/dbraw/zinc/59/43/21/1173594321.db2.gz WOIRRUOSHCHJJE-UONOGXRCSA-N 2 0 269.433 1.611 10 0 CDAERP CN(CCC[NH2+]CC1CCCCC1)C(=O)CC[NH+](C)C ZINC001670233569 1173665340 /nfs/dbraw/zinc/66/53/40/1173665340.db2.gz XLQYFVHDIODFIF-UHFFFAOYSA-N 2 0 283.460 1.957 10 0 CDAERP CC(C)OCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001673928203 1173898714 /nfs/dbraw/zinc/89/87/14/1173898714.db2.gz CLCHUCOZEWWXDU-CABCVRRESA-N 2 0 299.459 1.188 10 0 CDAERP CCC[N@H+](C)CCCNC(=O)CC[NH+]1CCCCC1 ZINC001689891283 1175296506 /nfs/dbraw/zinc/29/65/06/1175296506.db2.gz VUURQSNHYIDQSZ-UHFFFAOYSA-N 2 0 269.433 1.711 10 0 CDAERP CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001690355693 1175447674 /nfs/dbraw/zinc/44/76/74/1175447674.db2.gz JEQFKFJFBKRLJG-FRRDWIJNSA-N 2 0 255.406 1.219 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CCF)C1 ZINC001690405513 1175464080 /nfs/dbraw/zinc/46/40/80/1175464080.db2.gz LIWUZOHJJUAPGG-CABCVRRESA-N 2 0 299.434 1.657 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H](C[NH2+]C/C=C\Cl)C1 ZINC001690423653 1175467374 /nfs/dbraw/zinc/46/73/74/1175467374.db2.gz RHKCFXDNBLKJFJ-LLPBQKLSSA-N 2 0 287.835 1.519 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1CCF ZINC001692218209 1175703558 /nfs/dbraw/zinc/70/35/58/1175703558.db2.gz YRUJTCVYTDICTE-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@@H]1CCCC[C@]1(C[NH2+]CCF)NC(=O)CC[NH+](C)C ZINC001698660797 1175889482 /nfs/dbraw/zinc/88/94/82/1175889482.db2.gz HHDFEBDGXNTVOO-UKRRQHHQSA-N 2 0 287.423 1.562 10 0 CDAERP CCCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001698733920 1175907328 /nfs/dbraw/zinc/90/73/28/1175907328.db2.gz BFKXUAACZUJGEC-HUUCEWRRSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[NH2+]CCN(CC)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001699212882 1176142484 /nfs/dbraw/zinc/14/24/84/1176142484.db2.gz BMONGAXLBNGEQF-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP COCCC[NH2+]C[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001699428707 1176391746 /nfs/dbraw/zinc/39/17/46/1176391746.db2.gz QGVOKQWLFRTBGP-AWEZNQCLSA-N 2 0 299.459 1.238 10 0 CDAERP CCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001699462448 1176423854 /nfs/dbraw/zinc/42/38/54/1176423854.db2.gz VWIWIWYILFZCAL-IHRRRGAJSA-N 2 0 269.433 1.563 10 0 CDAERP CC[NH2+][C@@H](C)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001700420342 1176918180 /nfs/dbraw/zinc/91/81/80/1176918180.db2.gz YFOUDBGFZSBDNP-RYUDHWBXSA-N 2 0 255.406 1.221 10 0 CDAERP CC/C=C/CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001700761309 1177119181 /nfs/dbraw/zinc/11/91/81/1177119181.db2.gz VPYYDQZDYDYJMM-MFHOCJEASA-N 2 0 281.444 1.873 10 0 CDAERP CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CC=C(C)C)[NH+](C)C ZINC001700774993 1177126769 /nfs/dbraw/zinc/12/67/69/1177126769.db2.gz KKPQAFHVYPDZOY-ZIAGYGMSSA-N 2 0 269.433 1.729 10 0 CDAERP CCCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001700941776 1177203741 /nfs/dbraw/zinc/20/37/41/1177203741.db2.gz ZZTWHGVEUYJMAB-HUUCEWRRSA-N 2 0 293.455 1.757 10 0 CDAERP C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@H](C[NH2+]CCF)C1 ZINC001707154476 1177958815 /nfs/dbraw/zinc/95/88/15/1177958815.db2.gz GUVWSNMLXOBWNG-RDBSUJKOSA-N 2 0 285.407 1.267 10 0 CDAERP CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001707172847 1177961685 /nfs/dbraw/zinc/96/16/85/1177961685.db2.gz FMGSCYRKYAWYOR-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP CC[N@H+](CCCF)CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001707452606 1178054373 /nfs/dbraw/zinc/05/43/73/1178054373.db2.gz SWISTUURJSEOMR-OAHLLOKOSA-N 2 0 299.434 1.516 10 0 CDAERP CC[N@H+](CCCNC(=O)C[NH+]1CC[C@H](C)C1)CC(C)C ZINC001713024840 1178311372 /nfs/dbraw/zinc/31/13/72/1178311372.db2.gz JVPBFVIXAFXWQB-HNNXBMFYSA-N 2 0 283.460 1.812 10 0 CDAERP COCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001713375378 1178528006 /nfs/dbraw/zinc/52/80/06/1178528006.db2.gz PMOYUVGDPLHNSH-ZIAGYGMSSA-N 2 0 297.443 1.134 10 0 CDAERP CC(C)[NH2+][C@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001713409906 1178545189 /nfs/dbraw/zinc/54/51/89/1178545189.db2.gz CGCZJGFBTROXNF-CHWSQXEVSA-N 2 0 255.406 1.364 10 0 CDAERP CC[N@@H+](CC=C(C)C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001713484432 1178600207 /nfs/dbraw/zinc/60/02/07/1178600207.db2.gz HHNHPAGCVSAMRH-MRXNPFEDSA-N 2 0 293.455 1.733 10 0 CDAERP CC(C)[NH2+]CCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001713601119 1178676478 /nfs/dbraw/zinc/67/64/78/1178676478.db2.gz KSVMYXXAJXOQPI-ZDUSSCGKSA-N 2 0 255.406 1.317 10 0 CDAERP CCCCCC[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001713663724 1178702049 /nfs/dbraw/zinc/70/20/49/1178702049.db2.gz QAXSYCMRTHUPKS-CQSZACIVSA-N 2 0 269.433 1.566 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCOC2CCC2)C1)[NH+](C)C ZINC001713953111 1178884155 /nfs/dbraw/zinc/88/41/55/1178884155.db2.gz WWCSAAYAHFMBEE-UMVBOHGHSA-N 2 0 297.443 1.133 10 0 CDAERP CC(C)=CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001714175916 1179003502 /nfs/dbraw/zinc/00/35/02/1179003502.db2.gz CJNQIQCVYNLKLM-RHSMWYFYSA-N 2 0 293.455 1.779 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001714308377 1179079316 /nfs/dbraw/zinc/07/93/16/1179079316.db2.gz CVFKSGJWUZKOSG-OAHLLOKOSA-N 2 0 281.444 1.923 10 0 CDAERP CC1CC[NH+](CC(=O)N2CC[C@@H](C[NH2+]CCCF)C2)CC1 ZINC001714371535 1179109794 /nfs/dbraw/zinc/10/97/94/1179109794.db2.gz CTVLYDRISNNRPD-HNNXBMFYSA-N 2 0 299.434 1.516 10 0 CDAERP COCCC[N@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001714445909 1179143552 /nfs/dbraw/zinc/14/35/52/1179143552.db2.gz NLASKFWEHCHWAS-OAHLLOKOSA-N 2 0 299.459 1.288 10 0 CDAERP C[C@H](C[NH2+]CCCF)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001714675857 1179316878 /nfs/dbraw/zinc/31/68/78/1179316878.db2.gz UZMAQRXKJYXHCZ-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001715371547 1179647062 /nfs/dbraw/zinc/64/70/62/1179647062.db2.gz HAURXKKEFBPUIO-AWEZNQCLSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001715371549 1179647380 /nfs/dbraw/zinc/64/73/80/1179647380.db2.gz HAURXKKEFBPUIO-CQSZACIVSA-N 2 0 281.444 1.565 10 0 CDAERP CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001715404082 1179658444 /nfs/dbraw/zinc/65/84/44/1179658444.db2.gz SRFLGEICZIQEPT-QWHCGFSZSA-N 2 0 255.406 1.175 10 0 CDAERP COCCC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C(C)C ZINC001715496053 1179682914 /nfs/dbraw/zinc/68/29/14/1179682914.db2.gz WSTSZDGYXMESKU-LSDHHAIUSA-N 2 0 299.459 1.238 10 0 CDAERP CC(C)OCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001715664015 1179756662 /nfs/dbraw/zinc/75/66/62/1179756662.db2.gz VPTNIPQOSWQERE-HUUCEWRRSA-N 2 0 299.459 1.380 10 0 CDAERP CCCC[NH2+]C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001715980974 1179962287 /nfs/dbraw/zinc/96/22/87/1179962287.db2.gz PRHLGJAWNGROOI-AWEZNQCLSA-N 2 0 281.444 1.757 10 0 CDAERP CCOCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001716032593 1180008691 /nfs/dbraw/zinc/00/86/91/1180008691.db2.gz WVSFQGWMMSASKR-RBSFLKMASA-N 2 0 299.459 1.190 10 0 CDAERP C[C@@H](CC[NH2+]CCC1CC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001716153270 1180074182 /nfs/dbraw/zinc/07/41/82/1180074182.db2.gz GGSQLPAWFUYEEL-AWEZNQCLSA-N 2 0 293.455 1.899 10 0 CDAERP CCN(CC[NH2+]CCOC)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001716243350 1180116598 /nfs/dbraw/zinc/11/65/98/1180116598.db2.gz BAKKWCHCZPQVEW-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CC1CC(C[NH2+]C/C=C\CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001716375035 1180172825 /nfs/dbraw/zinc/17/28/25/1180172825.db2.gz BVWSFKNXVKVYTB-PFKRTQHPSA-N 2 0 279.428 1.246 10 0 CDAERP CCCC[NH2+]CCCN(C)C(=O)Cc1[nH]cnc1C ZINC001716580839 1180293580 /nfs/dbraw/zinc/29/35/80/1180293580.db2.gz PPOFRVRATAODKF-UHFFFAOYSA-N 2 0 266.389 1.499 10 0 CDAERP COCCC[N@@H+]1CCC[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001716900108 1180458878 /nfs/dbraw/zinc/45/88/78/1180458878.db2.gz VLOGUQPIZDIVBB-MRXNPFEDSA-N 2 0 299.459 1.193 10 0 CDAERP C[NH+](C)Cc1cccc(CNC(=O)[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000164420173 1180686736 /nfs/dbraw/zinc/68/67/36/1180686736.db2.gz ABAOHSCIAKZVLM-HOTGVXAUSA-N 2 0 289.423 1.882 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCC2CC2)C1 ZINC001717642832 1180770858 /nfs/dbraw/zinc/77/08/58/1180770858.db2.gz IRYBYCHQKXIBMH-BZUAXINKSA-N 2 0 293.455 1.755 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@H](C[NH2+]CCF)C(C)(C)C ZINC001717966114 1180950871 /nfs/dbraw/zinc/95/08/71/1180950871.db2.gz CILZNWFMASNPGN-GFCCVEGCSA-N 2 0 275.412 1.418 10 0 CDAERP CCCC[NH2+]C1CC(N(C)C(=O)C[N@H+](C)CCC)C1 ZINC001717999503 1180964580 /nfs/dbraw/zinc/96/45/80/1180964580.db2.gz YVJGPSODTRBCNI-UHFFFAOYSA-N 2 0 269.433 1.707 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N(C)CCC[NH2+]C/C=C\Cl)C1 ZINC001723123296 1181519646 /nfs/dbraw/zinc/51/96/46/1181519646.db2.gz LNSDYZCHGFVAGW-RJNRQISESA-N 2 0 287.835 1.519 10 0 CDAERP COCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001724565798 1181695713 /nfs/dbraw/zinc/69/57/13/1181695713.db2.gz ZGEZADTUMSLDPR-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP CCC[NH2+]CC(C)(C)CN(C)C(=O)Cc1cncn1C ZINC001725146430 1181882774 /nfs/dbraw/zinc/88/27/74/1181882774.db2.gz LLAZFJOBWOKJJI-UHFFFAOYSA-N 2 0 280.416 1.447 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC([NH+](C)CCCOC)CC1 ZINC001725424390 1181996055 /nfs/dbraw/zinc/99/60/55/1181996055.db2.gz INXNXHWAASNSHV-UHFFFAOYSA-N 2 0 299.459 1.288 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N(C)[C@@H](C[NH2+]CCF)C2CC2)C1 ZINC001725465946 1182010582 /nfs/dbraw/zinc/01/05/82/1182010582.db2.gz RTAADNXHPNZDAI-JSGCOSHPSA-N 2 0 285.407 1.124 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001725517189 1182033585 /nfs/dbraw/zinc/03/35/85/1182033585.db2.gz GFIWSSCHDQKNMZ-KGLIPLIRSA-N 2 0 267.417 1.341 10 0 CDAERP CC(C)CC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001725570716 1182053909 /nfs/dbraw/zinc/05/39/09/1182053909.db2.gz XGPWQUZDSNBOSD-ZIAGYGMSSA-N 2 0 269.433 1.563 10 0 CDAERP C[N@H+](CCCF)CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001731247278 1182272919 /nfs/dbraw/zinc/27/29/19/1182272919.db2.gz BRWUEBAARCORKH-UHFFFAOYSA-N 2 0 299.434 1.660 10 0 CDAERP CC(C)[NH2+][C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001731407042 1182364244 /nfs/dbraw/zinc/36/42/44/1182364244.db2.gz VJPJJSRXJRCIJY-GXTWGEPZSA-N 2 0 267.417 1.221 10 0 CDAERP CC(C)=CC[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001731411587 1182370811 /nfs/dbraw/zinc/37/08/11/1182370811.db2.gz VOMCONYHZIBDSJ-OAHLLOKOSA-N 2 0 279.428 1.533 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001731456562 1182396982 /nfs/dbraw/zinc/39/69/82/1182396982.db2.gz GBLKFGQKNDMDOI-WKILWMFISA-N 2 0 293.455 1.921 10 0 CDAERP CCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001732357157 1182925016 /nfs/dbraw/zinc/92/50/16/1182925016.db2.gz QWPKMFFXTJZPDW-GJZGRUSLSA-N 2 0 283.460 1.860 10 0 CDAERP CC(C)COCC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001732576456 1183020633 /nfs/dbraw/zinc/02/06/33/1183020633.db2.gz OKMHCFMKTMGVNS-HNNXBMFYSA-N 2 0 299.459 1.143 10 0 CDAERP CC[N@H+](C)CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001732597461 1183039093 /nfs/dbraw/zinc/03/90/93/1183039093.db2.gz MKOWNWJTTMNTGN-BETUJISGSA-N 2 0 255.406 1.269 10 0 CDAERP CCC[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@H]21 ZINC001732607347 1183045485 /nfs/dbraw/zinc/04/54/85/1183045485.db2.gz NAFWOEHYRODFOB-UONOGXRCSA-N 2 0 267.417 1.271 10 0 CDAERP C[C@H](CC[NH2+]CC1CCCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001732755437 1183109901 /nfs/dbraw/zinc/10/99/01/1183109901.db2.gz YVMYRIDMEUIUQY-HIFRSBDPSA-N 2 0 281.444 1.613 10 0 CDAERP CCN(CC[NH2+]CCF)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001732774375 1183121541 /nfs/dbraw/zinc/12/15/41/1183121541.db2.gz ASRFCRDKNWNJQX-UHFFFAOYSA-N 2 0 287.423 1.659 10 0 CDAERP CCC[NH2+]C/C=C\CNC(=O)C1CC[NH+](C)CC1 ZINC001732895827 1183175128 /nfs/dbraw/zinc/17/51/28/1183175128.db2.gz VHLZCRVNEXCSIW-PLNGDYQASA-N 2 0 253.390 1.000 10 0 CDAERP CCCC[NH2+]C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001732958837 1183205207 /nfs/dbraw/zinc/20/52/07/1183205207.db2.gz SMOOHLSIUCXRJQ-GFCCVEGCSA-N 2 0 255.406 1.365 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CCF ZINC001733078607 1183279240 /nfs/dbraw/zinc/27/92/40/1183279240.db2.gz NVUURJHPRCHDRV-KGLIPLIRSA-N 2 0 287.423 1.562 10 0 CDAERP C[C@H](Cc1c[nH]cn1)C(=O)NCC1([NH2+]CCCF)CC1 ZINC001733260881 1183374969 /nfs/dbraw/zinc/37/49/69/1183374969.db2.gz VQYUQNSHGRNUEG-LLVKDONJSA-N 2 0 282.363 1.186 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+](C)C(C)C ZINC001733353550 1183408080 /nfs/dbraw/zinc/40/80/80/1183408080.db2.gz IXUIRLGNBNHDLW-AWEZNQCLSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]CC2CC2)CCC1 ZINC001733727878 1183511040 /nfs/dbraw/zinc/51/10/40/1183511040.db2.gz AHCSGPIGKFDGRV-UHFFFAOYSA-N 2 0 267.417 1.365 10 0 CDAERP CCCCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001733857308 1183552448 /nfs/dbraw/zinc/55/24/48/1183552448.db2.gz IVLRCUQUMAOBDL-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H](F)CC[NH2+]CC1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001733957662 1183584792 /nfs/dbraw/zinc/58/47/92/1183584792.db2.gz FOJSHTIFLSZZIJ-HSBZDZAISA-N 2 0 285.407 1.315 10 0 CDAERP COCCC[NH2+][C@@H](C)[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001733993740 1183605962 /nfs/dbraw/zinc/60/59/62/1183605962.db2.gz FCIMNTGZJJWGIM-UONOGXRCSA-N 2 0 299.459 1.238 10 0 CDAERP CCCC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001734397977 1183762953 /nfs/dbraw/zinc/76/29/53/1183762953.db2.gz CTBPJDPZKFYOCX-ZIAGYGMSSA-N 2 0 281.444 1.707 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC001734401157 1183763802 /nfs/dbraw/zinc/76/38/02/1183763802.db2.gz XNJJEPASQBYJGS-HIFRSBDPSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)OCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H]1C ZINC001734408243 1183766639 /nfs/dbraw/zinc/76/66/39/1183766639.db2.gz NITGKCAZNNPMGX-LSDHHAIUSA-N 2 0 299.459 1.331 10 0 CDAERP CC[N@H+](C)CCN(C(=O)CCC[NH+](C)C)C(C)C ZINC001734551757 1183822043 /nfs/dbraw/zinc/82/20/43/1183822043.db2.gz JDQKOQUEGUDPHC-UHFFFAOYSA-N 2 0 257.422 1.517 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[C@H]2[NH3+])C1 ZINC001771755474 1186859737 /nfs/dbraw/zinc/85/97/37/1186859737.db2.gz XRDWWCPMXGRXKE-QLFBSQMISA-N 2 0 281.444 1.598 10 0 CDAERP C[NH+](C)[C@H]1CCC[N@H+](C[C@H](O)CCC2(O)CCC2)CC1 ZINC001771952302 1186977991 /nfs/dbraw/zinc/97/79/91/1186977991.db2.gz QOIZAJWHIWWESQ-LSDHHAIUSA-N 2 0 284.444 1.459 10 0 CDAERP C[NH+](C)C1(C)CCN(C(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000864081604 1164507020 /nfs/dbraw/zinc/50/70/20/1164507020.db2.gz JTKBXUZKQVSMQN-ZDUSSCGKSA-N 2 0 281.444 1.802 10 0 CDAERP C[NH+]1CCN(CCC[NH2+][C@@H]2CCCc3cn[nH]c32)CC1 ZINC000857846691 758871147 /nfs/dbraw/zinc/87/11/47/758871147.db2.gz PBHFPNVUZUTLRV-CQSZACIVSA-N 2 0 277.416 1.014 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCOc2cccnc2)[C@@H]2CCC[C@H]21 ZINC000796763028 758878480 /nfs/dbraw/zinc/87/84/80/758878480.db2.gz RQUSNYYUDHQZNN-HRCADAONSA-N 2 0 275.396 1.923 10 0 CDAERP C(C[NH2+]C1CC1)C[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000923322881 758884413 /nfs/dbraw/zinc/88/44/13/758884413.db2.gz BHHOEHBJMRLTAO-INIZCTEOSA-N 2 0 281.444 1.315 10 0 CDAERP O=C(CCC12CC(C1)C[NH2+]2)N1CC[NH+](CC2CC2)CC1 ZINC000870869641 758887825 /nfs/dbraw/zinc/88/78/25/758887825.db2.gz DKHJKDLGAJQXGY-UHFFFAOYSA-N 2 0 277.412 1.073 10 0 CDAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000704006195 758893179 /nfs/dbraw/zinc/89/31/79/758893179.db2.gz DMZQKIJCYORJIA-XQLPTFJDSA-N 2 0 279.428 1.589 10 0 CDAERP CN(C)C(=O)C1(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)CCCC1 ZINC000925487694 758947959 /nfs/dbraw/zinc/94/79/59/758947959.db2.gz NWQMTEVMCNMWIX-QWHCGFSZSA-N 2 0 279.428 1.495 10 0 CDAERP CCCCOC[C@H](O)C[N@H+](CCC)C1CC[NH2+]CC1 ZINC000227910050 758998689 /nfs/dbraw/zinc/99/86/89/758998689.db2.gz IQJCZITXKLXSJT-OAHLLOKOSA-N 2 0 272.433 1.628 10 0 CDAERP CC(C)C[C@H](CN(C)C)[NH2+]CC1CC[NH+](C)CC1 ZINC000054242744 770301681 /nfs/dbraw/zinc/30/16/81/770301681.db2.gz WICBXFVLEAZKKY-OAHLLOKOSA-N 2 0 255.450 1.894 10 0 CDAERP CC[C@@H](C)NC(=O)[C@H](C)[N@H+](C)CCCCCC[NH3+] ZINC000710779824 770546891 /nfs/dbraw/zinc/54/68/91/770546891.db2.gz IRWWQVBKSXGLSZ-OLZOCXBDSA-N 2 0 257.422 1.741 10 0 CDAERP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)(C)CO ZINC000925042793 770849920 /nfs/dbraw/zinc/84/99/20/770849920.db2.gz UOFDAJZXJVCNLE-UONOGXRCSA-N 2 0 283.460 1.152 10 0 CDAERP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3C[C@@]34CCOC4)C[C@@H]2C1 ZINC000931442690 770853663 /nfs/dbraw/zinc/85/36/63/770853663.db2.gz LVUADUNVANQGBD-LXTVHRRPSA-N 2 0 250.386 1.297 10 0 CDAERP C[C@H]([NH2+]C1CC1)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000825548031 770853707 /nfs/dbraw/zinc/85/37/07/770853707.db2.gz VFOWTUNHRUQTME-OUCADQQQSA-N 2 0 265.401 1.118 10 0 CDAERP CC(C)CC[C@@H](O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923327682 770855011 /nfs/dbraw/zinc/85/50/11/770855011.db2.gz GKQXUVVICYXSPA-IZGVIRRGSA-N 2 0 254.418 1.998 10 0 CDAERP Cn1nccc1[C@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923323208 770912470 /nfs/dbraw/zinc/91/24/70/770912470.db2.gz VNUNSJFDUUVHLE-ZDUSSCGKSA-N 2 0 262.401 1.742 10 0 CDAERP CCSCC[C@@H](C)[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923315227 768825222 /nfs/dbraw/zinc/82/52/22/768825222.db2.gz SDNORWSCZUGFMR-CHWSQXEVSA-N 2 0 272.458 1.828 10 0 CDAERP COCCC[NH+]1CCC(N[C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925578107 768829152 /nfs/dbraw/zinc/82/91/52/768829152.db2.gz SFBKNXAJGGNBFL-INIZCTEOSA-N 2 0 295.471 1.752 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH2+]CC2(C)C)C1 ZINC000711370311 768838378 /nfs/dbraw/zinc/83/83/78/768838378.db2.gz RDBBZAVDVDGIRO-RYUDHWBXSA-N 2 0 267.417 1.221 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+][C@H]2CCCC3(CC3)C2)CC1 ZINC000723569893 768846626 /nfs/dbraw/zinc/84/66/26/768846626.db2.gz AGSMNZXXOUBYSR-ZDUSSCGKSA-N 2 0 252.402 1.756 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)CC[C@H]2CCC[NH2+]C2)C1 ZINC000870988246 768852165 /nfs/dbraw/zinc/85/21/65/768852165.db2.gz KGNXYODAASZIRI-RHSMWYFYSA-N 2 0 295.471 1.990 10 0 CDAERP Cc1cc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)c(C)cn1 ZINC000930628317 768857845 /nfs/dbraw/zinc/85/78/45/768857845.db2.gz YMHYSPMWRIILEQ-NWDGAFQWSA-N 2 0 262.357 1.334 10 0 CDAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CCOC[C@H]1CCCO1)CC2 ZINC000923449959 768862021 /nfs/dbraw/zinc/86/20/21/768862021.db2.gz RJEOQTNKSINWJF-HUUCEWRRSA-N 2 0 298.427 1.012 10 0 CDAERP COCC[C@H](COC)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000385763699 768898628 /nfs/dbraw/zinc/89/86/28/768898628.db2.gz UTRSWHIDBDPCGR-GXTWGEPZSA-N 2 0 258.406 1.358 10 0 CDAERP CON(C)C(=O)CC[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000819278249 768970001 /nfs/dbraw/zinc/97/00/01/768970001.db2.gz MZLXWSSIDAIPSV-UHFFFAOYSA-N 2 0 269.389 1.003 10 0 CDAERP C[C@@H](C[NH+](C)C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000811527012 768970360 /nfs/dbraw/zinc/97/03/60/768970360.db2.gz FXANGKUXRMZFGM-SMDDNHRTSA-N 2 0 273.396 1.265 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000925335241 768974279 /nfs/dbraw/zinc/97/42/79/768974279.db2.gz SLIWXYBICXODQV-OLZOCXBDSA-N 2 0 270.421 1.062 10 0 CDAERP COC/C(C)=C\C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000929284088 769065573 /nfs/dbraw/zinc/06/55/73/769065573.db2.gz OZNSJXZEDPSXRG-CQPUUCJISA-N 2 0 282.428 1.623 10 0 CDAERP NC(=O)CC1CC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000718406353 769338606 /nfs/dbraw/zinc/33/86/06/769338606.db2.gz RILUACACQWDWTD-MYXTYHMWSA-N 2 0 265.401 1.151 10 0 CDAERP C[C@H](CNC1=[NH+]CCCCN1)[N@@H+]1CCC[C@@H](C)C1 ZINC000849215295 769377729 /nfs/dbraw/zinc/37/77/29/769377729.db2.gz ASAMZYMIJWVRBE-CHWSQXEVSA-N 2 0 252.406 1.436 10 0 CDAERP C[NH2+]C[C@@H]1CCC[N@H+](C[C@H]2CC[C@@H](C3CC3)O2)C1 ZINC000715510615 769403951 /nfs/dbraw/zinc/40/39/51/769403951.db2.gz PQAMIBFDRFWZHQ-CFVMTHIKSA-N 2 0 252.402 1.875 10 0 CDAERP C(C[NH2+]C1CC1)CN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000923364288 769429582 /nfs/dbraw/zinc/42/95/82/769429582.db2.gz LTCJSQDPRCHHON-ZFWWWQNUSA-N 2 0 251.418 1.593 10 0 CDAERP C[NH+](C)C[C@@H]1CN(c2ncccc2F)C[C@H]1C[NH+](C)C ZINC000866012702 769437536 /nfs/dbraw/zinc/43/75/36/769437536.db2.gz OAZYVKKOEVXWSC-CHWSQXEVSA-N 2 0 280.391 1.396 10 0 CDAERP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]CCC[NH2+]C2CC2)cn1 ZINC000923390570 769791285 /nfs/dbraw/zinc/79/12/85/769791285.db2.gz SZMMQOBOGQFECH-HOCLYGCPSA-N 2 0 276.428 1.863 10 0 CDAERP COC[C@H]1CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000832738028 769794612 /nfs/dbraw/zinc/79/46/12/769794612.db2.gz DGSRHQICKBAUOT-LSDHHAIUSA-N 2 0 270.417 1.192 10 0 CDAERP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000870994726 769828610 /nfs/dbraw/zinc/82/86/10/769828610.db2.gz ULFVOXYOVDRBOH-RISCZKNCSA-N 2 0 255.406 1.193 10 0 CDAERP C[NH+](C)C[C@@H]1CN(C(=O)C2(C)CCC2)C[C@H]1C[NH+](C)C ZINC000870020307 769860625 /nfs/dbraw/zinc/86/06/25/769860625.db2.gz LOOPTROIHUWFGD-ZIAGYGMSSA-N 2 0 281.444 1.374 10 0 CDAERP COC(=O)c1occc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000848923044 770061512 /nfs/dbraw/zinc/06/15/12/770061512.db2.gz CUSQDDNBSKHEPQ-KLPPZKSPSA-N 2 0 266.341 1.496 10 0 CDAERP C[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1cncc(F)c1 ZINC000925846012 770308768 /nfs/dbraw/zinc/30/87/68/770308768.db2.gz RCZFGSNHLZCSCS-AWEZNQCLSA-N 2 0 294.418 1.947 10 0 CDAERP COCC[N@H+](CCOC(F)F)CC1CC[NH+](C)CC1 ZINC000879125367 770421130 /nfs/dbraw/zinc/42/11/30/770421130.db2.gz AJBZBLGGZPHUFG-UHFFFAOYSA-N 2 0 280.359 1.516 10 0 CDAERP CCS(=O)(=O)CC[NH2+]Cc1ccc(CC[NH+](C)C)cc1 ZINC000819252341 770466667 /nfs/dbraw/zinc/46/66/67/770466667.db2.gz QRDUPDDXUPAWEN-UHFFFAOYSA-N 2 0 298.452 1.315 10 0 CDAERP C[C@@H](Cn1cncn1)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000866516973 770486931 /nfs/dbraw/zinc/48/69/31/770486931.db2.gz FNDOSNKNQJMBFZ-HSBZDZAISA-N 2 0 265.405 1.519 10 0 CDAERP CC(C)OC(=O)N1CCC([NH2+][C@H](C)C[C@H](C)[NH3+])CC1 ZINC000817911891 770798498 /nfs/dbraw/zinc/79/84/98/770798498.db2.gz MZIQDJVMDJWSEI-NWDGAFQWSA-N 2 0 271.405 1.711 10 0 CDAERP CC(C)C(=O)NC[C@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923310896 770807076 /nfs/dbraw/zinc/80/70/76/770807076.db2.gz OCKNCUABBKYNBB-CQSZACIVSA-N 2 0 281.444 1.613 10 0 CDAERP CO[C@H](CC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)C(F)(F)F ZINC000925646628 770812966 /nfs/dbraw/zinc/81/29/66/770812966.db2.gz VSSWATZUSBNPIX-OPRDCNLKSA-N 2 0 266.307 1.813 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000863544212 770832547 /nfs/dbraw/zinc/83/25/47/770832547.db2.gz NMWVANXRUTZTCV-IJLUTSLNSA-N 2 0 276.471 1.192 10 0 CDAERP CO[C@@H]1COCC[C@@H]1C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925680962 770840479 /nfs/dbraw/zinc/84/04/79/770840479.db2.gz LOFRTUSCZKTRJE-YIYPIFLZSA-N 2 0 270.417 1.534 10 0 CDAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000925772746 770967092 /nfs/dbraw/zinc/96/70/92/770967092.db2.gz UHKQWDPUDRRLPR-RAIGVLPGSA-N 2 0 297.424 1.075 10 0 CDAERP CC(C)CNC(=O)[C@H](C)[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714486656 771008155 /nfs/dbraw/zinc/00/81/55/771008155.db2.gz OYSJHEXOEVAPBA-ZDUSSCGKSA-N 2 0 283.460 1.844 10 0 CDAERP [NH3+][C@H]1C[C@@H]([NH2+]CCn2ccc(C(F)(F)F)n2)C12CCC2 ZINC000925729723 771067458 /nfs/dbraw/zinc/06/74/58/771067458.db2.gz LJKVGRFMTINABU-GXSJLCMTSA-N 2 0 288.317 1.761 10 0 CDAERP C(C[NH+]1CCC(N2CCCOCC2)CC1)[C@H]1CCCO1 ZINC000931287853 771161175 /nfs/dbraw/zinc/16/11/75/771161175.db2.gz VEDSZXMUAAQZJE-MRXNPFEDSA-N 2 0 282.428 1.742 10 0 CDAERP C[C@@H](CN[C@@H]1CC[NH2+]C12CCC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000925545667 771164060 /nfs/dbraw/zinc/16/40/60/771164060.db2.gz BLXBVFFJVLHVLQ-QLFBSQMISA-N 2 0 265.445 1.981 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)Nc2ccc(F)c(F)c2)CC[C@@H]1C[NH3+] ZINC000923507341 771173677 /nfs/dbraw/zinc/17/36/77/771173677.db2.gz KKKJTDHUZCIJGB-GHMZBOCLSA-N 2 0 297.349 1.820 10 0 CDAERP COC1CC(C[N@@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)C1 ZINC000720855290 771189750 /nfs/dbraw/zinc/18/97/50/771189750.db2.gz BEHUWYODUXNOKM-DJRKXVOMSA-N 2 0 266.307 1.480 10 0 CDAERP CC[N@H+](C)C[C@@H]1CCN(C[C@](O)(CC)C(F)(F)F)C1 ZINC000929788660 771213912 /nfs/dbraw/zinc/21/39/12/771213912.db2.gz ASJJGTYJFHOMML-NWDGAFQWSA-N 2 0 282.350 1.963 10 0 CDAERP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000925884013 771280734 /nfs/dbraw/zinc/28/07/34/771280734.db2.gz PIJBGQJXTXDJTQ-VVLHAWIVSA-N 3 0 273.424 1.905 10 0 CDAERP C[C@H]([NH2+]C1CCC2(CC1)OCCO2)C1CC[NH2+]CC1 ZINC000715594061 771311318 /nfs/dbraw/zinc/31/13/18/771311318.db2.gz GYAJWUHQILQTDR-LBPRGKRZSA-N 2 0 268.401 1.650 10 0 CDAERP C[C@H]1CC[C@@H](NC(=O)NCc2ccc(CC[NH3+])cc2)C[NH2+]1 ZINC000861639925 771339641 /nfs/dbraw/zinc/33/96/41/771339641.db2.gz YOZKQFPCSLNSKQ-SWLSCSKDSA-N 2 0 290.411 1.128 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000713278430 771352148 /nfs/dbraw/zinc/35/21/48/771352148.db2.gz RJYUHMOVOBACPP-DSJMHWKBSA-N 2 0 277.412 1.201 10 0 CDAERP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@H](O)C2CC2)C1 ZINC000838861885 771352735 /nfs/dbraw/zinc/35/27/35/771352735.db2.gz AHKLKIPJPJHSBW-GJZGRUSLSA-N 2 0 270.417 1.190 10 0 CDAERP C([C@@H]1C[C@@H]2COC[C@@H]2O1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000929689658 771378817 /nfs/dbraw/zinc/37/88/17/771378817.db2.gz ZXHIUXSJBQKFSA-QZWWFDLISA-N 2 0 294.439 1.741 10 0 CDAERP C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2C=CCC2)C[C@H]1C[NH+](C)C ZINC000875729005 771512862 /nfs/dbraw/zinc/51/28/62/771512862.db2.gz IPNUKPTZAAEWBD-RBSFLKMASA-N 2 0 294.443 1.086 10 0 CDAERP CCC(CC)C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866712236 771584096 /nfs/dbraw/zinc/58/40/96/771584096.db2.gz RTLGFINJUWESQH-MCIONIFRSA-N 2 0 281.400 1.290 10 0 CDAERP CON(C)C(=O)CC[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178492 771635559 /nfs/dbraw/zinc/63/55/59/771635559.db2.gz WVKNXOAUFHTLGQ-UHFFFAOYSA-N 2 0 283.416 1.204 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]C1CCC2(CC1)OCCO2 ZINC000925802105 771656352 /nfs/dbraw/zinc/65/63/52/771656352.db2.gz DNNYYIYNZRLTKT-CHWSQXEVSA-N 2 0 268.401 1.507 10 0 CDAERP CC[NH+]1CCC([NH2+]C[C@]2(OC(C)C)CCOC2)CC1 ZINC000722350639 771718715 /nfs/dbraw/zinc/71/87/15/771718715.db2.gz ZLEIOPFPASJFQN-OAHLLOKOSA-N 2 0 270.417 1.644 10 0 CDAERP O[C@@H](C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)C1(O)CCCC1 ZINC000929690583 771723637 /nfs/dbraw/zinc/72/36/37/771723637.db2.gz USNLVOKCLKFDPC-CVEARBPZSA-N 2 0 296.455 1.603 10 0 CDAERP C([C@H]1C[C@H]2CCC[C@H]2O1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000720883708 771828568 /nfs/dbraw/zinc/82/85/68/771828568.db2.gz YFUUNSMJVSCCNI-TUVASFSCSA-N 2 0 250.386 1.629 10 0 CDAERP O[C@H](C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000819206578 771838472 /nfs/dbraw/zinc/83/84/72/771838472.db2.gz XKIFUBJTLVCECZ-MRXNPFEDSA-N 2 0 275.396 1.659 10 0 CDAERP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)[C@H]1CN(C)CCO1 ZINC000925616580 771841452 /nfs/dbraw/zinc/84/14/52/771841452.db2.gz NMAQBMGQRATIBY-REWJHTLYSA-N 2 0 269.433 1.201 10 0 CDAERP CCS(=O)(=O)c1ccccc1CC[NH2+][C@H](C)C1C[NH2+]C1 ZINC000925835592 771844280 /nfs/dbraw/zinc/84/42/80/771844280.db2.gz ULUIRTFTKGQLRV-GFCCVEGCSA-N 2 0 296.436 1.220 10 0 CDAERP COc1ccc(OCC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000710041484 771850448 /nfs/dbraw/zinc/85/04/48/771850448.db2.gz NJEVOBGTQNMAFZ-HUUCEWRRSA-N 2 0 276.380 1.934 10 0 CDAERP CC(C)(C)NC(=O)CC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925595911 771851764 /nfs/dbraw/zinc/85/17/64/771851764.db2.gz VECIPYWRFVQVFA-XBFCOCLRSA-N 2 0 281.444 1.657 10 0 CDAERP O[C@H](CN1CCC[C@@H]2C[NH2+]CC[C@H]21)CC(F)(F)F ZINC000715039021 771854390 /nfs/dbraw/zinc/85/43/90/771854390.db2.gz HWVJQPQDHZTCAS-OUAUKWLOSA-N 2 0 266.307 1.374 10 0 CDAERP CCc1ccc([C@H](O)C[NH2+][C@@H](CCC[NH3+])COC)cc1 ZINC000817929186 771959055 /nfs/dbraw/zinc/95/90/55/771959055.db2.gz KPEPGBAXWNGUBQ-JKSUJKDBSA-N 2 0 280.412 1.626 10 0 CDAERP Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]CCC[NH2+]C2CC2)cn1 ZINC000923390568 771974279 /nfs/dbraw/zinc/97/42/79/771974279.db2.gz SZMMQOBOGQFECH-GOEBONIOSA-N 2 0 276.428 1.863 10 0 CDAERP Cc1ncsc1CC[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923501959 771995386 /nfs/dbraw/zinc/99/53/86/771995386.db2.gz UFFKZWIZXDKVHG-CMPLNLGQSA-N 2 0 253.415 1.911 10 0 CDAERP c1ccc([C@H]2CC[N@@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)C2)cc1 ZINC000923302803 772050891 /nfs/dbraw/zinc/05/08/91/772050891.db2.gz DNRGIKBKBJICAH-HOTGVXAUSA-N 2 0 272.392 1.854 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2NC[C@H]1CC[NH+]1C1CCCC1 ZINC000926762765 772060152 /nfs/dbraw/zinc/06/01/52/772060152.db2.gz PEAMTOCMLYVGPK-NUCGDHGJSA-N 2 0 277.456 1.933 10 0 CDAERP CCCCCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](C)[C@@H]1C ZINC000928436755 772060569 /nfs/dbraw/zinc/06/05/69/772060569.db2.gz ADSZFUWQVRDWRI-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](C[C@H]1C[C@@]13CCOC3)CC2 ZINC000923446288 772068496 /nfs/dbraw/zinc/06/84/96/772068496.db2.gz MHLAAEAKVUUHTQ-IJEWVQPXSA-N 2 0 280.412 1.243 10 0 CDAERP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCc1ccns1 ZINC000925733802 772214285 /nfs/dbraw/zinc/21/42/85/772214285.db2.gz XYJPELCACSNUPS-MVWJERBFSA-N 2 0 255.387 1.028 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H](C)C[C@@H](O)c1cccs1 ZINC000817914517 772233992 /nfs/dbraw/zinc/23/39/92/772233992.db2.gz ZEDDOHKLTHGRJG-FRRDWIJNSA-N 2 0 286.441 1.904 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C)C(C)(C)CC1 ZINC000871153468 772280775 /nfs/dbraw/zinc/28/07/75/772280775.db2.gz NDVVCWFDQNZDEW-AWEZNQCLSA-N 2 0 281.444 1.804 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CC[NH+](C)[C@@H]1C ZINC000922510156 772280890 /nfs/dbraw/zinc/28/08/90/772280890.db2.gz KWKPLNBHUKMTPY-BFHYXJOUSA-N 2 0 284.448 1.499 10 0 CDAERP C[C@H]1CCC[N@H+](CCN[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925551383 772305737 /nfs/dbraw/zinc/30/57/37/772305737.db2.gz QOUALVYKUASFHC-UONOGXRCSA-N 2 0 251.418 1.593 10 0 CDAERP C[C@@H](Cc1ccc(F)cc1)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925812181 772314187 /nfs/dbraw/zinc/31/41/87/772314187.db2.gz VGXDUGJGMOVFKO-ZDUSSCGKSA-N 2 0 279.403 1.769 10 0 CDAERP COCC1(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)CCOCC1 ZINC000925673443 772323102 /nfs/dbraw/zinc/32/31/02/772323102.db2.gz NNWLQSYIFABYTP-KBPBESRZSA-N 2 0 284.444 1.925 10 0 CDAERP CC[C@@H](C(=O)N[C@H](CC[NH+](C)C)c1cccnc1)[NH+](C)C ZINC000928829648 772337837 /nfs/dbraw/zinc/33/78/37/772337837.db2.gz LAXJCISMJXXAQV-CABCVRRESA-N 2 0 292.427 1.531 10 0 CDAERP C[NH+](C)C1(C)CC[NH+](C[C@@H]2C[C@@]23CCOC3)CC1 ZINC000931356793 772356192 /nfs/dbraw/zinc/35/61/92/772356192.db2.gz NDNOXRVUSRYZGL-DZGCQCFKSA-N 2 0 252.402 1.829 10 0 CDAERP C1=C[C@@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)[C@H]2CO[C@@H]1C2 ZINC000925829113 772400357 /nfs/dbraw/zinc/40/03/57/772400357.db2.gz BLGFADJERQJTKB-KMIMBKNBSA-N 2 0 292.423 1.324 10 0 CDAERP COc1cnc(F)c(C[NH2+]CCCN(C)CC[NH+](C)C)c1 ZINC000922275124 772420281 /nfs/dbraw/zinc/42/02/81/772420281.db2.gz SGJZNVOJKYTOIX-UHFFFAOYSA-N 2 0 298.406 1.202 10 0 CDAERP C[C@H](C(=O)NCc1ccccc1)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923502267 772434100 /nfs/dbraw/zinc/43/41/00/772434100.db2.gz AXRHCUXKDGHWRD-IIAWOOMASA-N 2 0 289.423 1.608 10 0 CDAERP Cn1nnc2c1C[C@@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CC2 ZINC000927149361 772438594 /nfs/dbraw/zinc/43/85/94/772438594.db2.gz GKGIZGRFDGMSKG-AWEZNQCLSA-N 2 0 289.427 1.136 10 0 CDAERP Cn1c2ccccc2nc1NCCN1CCC([NH3+])CC1 ZINC000721975774 772445780 /nfs/dbraw/zinc/44/57/80/772445780.db2.gz WOLSKEHRGZTQTN-UHFFFAOYSA-N 2 0 273.384 1.408 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+][C@@H]1[C@@H](C)COC[C@H]1C ZINC000926150040 772483788 /nfs/dbraw/zinc/48/37/88/772483788.db2.gz IKGQOIPCTQDHQU-FICVDOATSA-N 2 0 272.433 1.605 10 0 CDAERP C[C@]1(c2nc(-c3ccn4c[nH+]cc4c3)no2)CC[NH2+]C1 ZINC000843227075 772509274 /nfs/dbraw/zinc/50/92/74/772509274.db2.gz ROFUXHIIFOCSOJ-AWEZNQCLSA-N 2 0 269.308 1.635 10 0 CDAERP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)C=C1CC[NH2+]CC1 ZINC000852895242 772561404 /nfs/dbraw/zinc/56/14/04/772561404.db2.gz VBRHYFOHUJCPDR-MRXNPFEDSA-N 2 0 285.391 1.381 10 0 CDAERP CC1(CC[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)OCCO1 ZINC000925638267 772576955 /nfs/dbraw/zinc/57/69/55/772576955.db2.gz ADLCAJDXRSJOOP-RYUDHWBXSA-N 2 0 256.390 1.635 10 0 CDAERP COC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925643826 772580338 /nfs/dbraw/zinc/58/03/38/772580338.db2.gz LJKDNEOKTUNLKU-HZSPNIEDSA-N 2 0 295.427 1.728 10 0 CDAERP FC(F)(F)[C@@H]1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)O1 ZINC000722392942 772587758 /nfs/dbraw/zinc/58/77/58/772587758.db2.gz XVCCMHMAVUDFGE-CFKCVQHJSA-N 2 0 278.318 1.969 10 0 CDAERP C[N@@H+]1CC[C@H](NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)CC1(C)C ZINC000858126853 772645560 /nfs/dbraw/zinc/64/55/60/772645560.db2.gz LKJAHAFGXUAPGR-RRFJBIMHSA-N 2 0 281.444 1.312 10 0 CDAERP C(CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)CCN1CC[NH2+]CC1 ZINC000925846279 772659489 /nfs/dbraw/zinc/65/94/89/772659489.db2.gz VEDSWYWAGBXANK-DLBZAZTESA-N 3 0 294.487 1.278 10 0 CDAERP CC(C)[C@H]([NH3+])Cc1nc([C@@H]2CN3CCC[C@@H]3CO2)no1 ZINC000091747788 772723527 /nfs/dbraw/zinc/72/35/27/772723527.db2.gz MQHQKAGPBKLOEG-UTUOFQBUSA-N 2 0 280.372 1.131 10 0 CDAERP CC(C)[NH+](CCCNC(=[NH2+])NC[C@@H]1CCCO1)C(C)C ZINC000849010988 772751787 /nfs/dbraw/zinc/75/17/87/772751787.db2.gz XDHHRTGMESUMSD-AWEZNQCLSA-N 2 0 284.448 1.788 10 0 CDAERP O=C(CC[NH+]1CCC(F)(C2CC2)CC1)N1CC[NH2+]CC1 ZINC000724801659 772758839 /nfs/dbraw/zinc/75/88/39/772758839.db2.gz DHKRACRYXDCZOB-UHFFFAOYSA-N 2 0 283.391 1.022 10 0 CDAERP FC(F)(F)[C@@H]1C[C@H]1C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925831677 772769863 /nfs/dbraw/zinc/76/98/63/772769863.db2.gz LLPUKPBLGJLUJQ-BVDGUUGYSA-N 2 0 260.303 1.771 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000864067401 772777820 /nfs/dbraw/zinc/77/78/20/772777820.db2.gz HQCDGYACKFTMFJ-GFCCVEGCSA-N 2 0 265.401 1.071 10 0 CDAERP CC1(C)[C@@H]([NH3+])c2ccccc2N1C(=O)CC1(C[NH3+])CC1 ZINC000867987302 772777988 /nfs/dbraw/zinc/77/79/88/772777988.db2.gz KHQWWIVVCOZSNF-AWEZNQCLSA-N 2 0 273.380 1.941 10 0 CDAERP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccnc(F)c2)CC1 ZINC000858126351 772786182 /nfs/dbraw/zinc/78/61/82/772786182.db2.gz YVUWKUKICKUYGF-CQSZACIVSA-N 2 0 294.418 1.584 10 0 CDAERP CCC[C@H](O)CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000922817151 772798557 /nfs/dbraw/zinc/79/85/57/772798557.db2.gz MPSQTRNRYJZODM-HNNXBMFYSA-N 2 0 274.368 1.908 10 0 CDAERP C[N@H+](C[C@H](O)C[NH+]1CCCC1)C[C@H]1CC=CCC1 ZINC000784389586 772838016 /nfs/dbraw/zinc/83/80/16/772838016.db2.gz CQFBQDRGUJKHOK-GJZGRUSLSA-N 2 0 252.402 1.731 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925647798 772859621 /nfs/dbraw/zinc/85/96/21/772859621.db2.gz HNZGWBUMXPXTNS-OWCLPIDISA-N 3 0 297.487 1.711 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C)C(C)(C)CC1 ZINC000871153828 772863206 /nfs/dbraw/zinc/86/32/06/772863206.db2.gz MTDYVZBYLGHDFQ-LBPRGKRZSA-N 2 0 253.390 1.023 10 0 CDAERP COCCOCCOCC[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000929991553 772871661 /nfs/dbraw/zinc/87/16/61/772871661.db2.gz GSKXWGUNZFPHLM-CQSZACIVSA-N 2 0 297.399 1.269 10 0 CDAERP CC(C)NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923396462 772890537 /nfs/dbraw/zinc/89/05/37/772890537.db2.gz ZNKYNIHCKLLCEK-ZDUSSCGKSA-N 2 0 267.417 1.365 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@@H](O)c2ccccc2F)C1 ZINC000848675930 772897973 /nfs/dbraw/zinc/89/79/73/772897973.db2.gz FYUJLQLSJOBUBD-TYNCELHUSA-N 2 0 266.360 1.789 10 0 CDAERP CN1CC[C@@H]1C[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000922575642 772899781 /nfs/dbraw/zinc/89/97/81/772899781.db2.gz CMAMRSHPPULGJS-LLVKDONJSA-N 2 0 262.382 1.728 10 0 CDAERP C[C@H]1C[C@@H](N(C)C(=O)c2cccc(C[NH3+])c2)CC[N@@H+]1C ZINC000830351344 772927980 /nfs/dbraw/zinc/92/79/80/772927980.db2.gz PVCSSKRJHPWIJI-WFASDCNBSA-N 2 0 275.396 1.700 10 0 CDAERP CC(C)COC[C@@H](O)C[N@H+](C)C1(C[NH3+])CCCCC1 ZINC000923422352 772928657 /nfs/dbraw/zinc/92/86/57/772928657.db2.gz KMXPTMJVQXUFNL-AWEZNQCLSA-N 2 0 272.433 1.613 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCN2CCCCC2)C1 ZINC000925532115 772932504 /nfs/dbraw/zinc/93/25/04/772932504.db2.gz CVLIRERJRWIZPG-ZIAGYGMSSA-N 2 0 253.434 1.968 10 0 CDAERP COCC[N@H+](C)CCC[NH2+]Cc1cnc2c(cnn2C)c1 ZINC000865412259 772938060 /nfs/dbraw/zinc/93/80/60/772938060.db2.gz MCZLUKQMPRGBIR-UHFFFAOYSA-N 2 0 291.399 1.026 10 0 CDAERP Cc1cccc(NC(=[NH2+])NCCCN(C)CC[NH+](C)C)c1 ZINC000849028186 772938081 /nfs/dbraw/zinc/93/80/81/772938081.db2.gz IEEULEPREWTJTC-UHFFFAOYSA-N 2 0 291.443 1.815 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000928447199 772996482 /nfs/dbraw/zinc/99/64/82/772996482.db2.gz JHVUUCZFXPBAPN-FDYHWXHSSA-N 2 0 253.390 1.068 10 0 CDAERP CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923452860 773003244 /nfs/dbraw/zinc/00/32/44/773003244.db2.gz IPJNTEHFNGGUEN-MJBXVCDLSA-N 2 0 297.443 1.119 10 0 CDAERP C[C@@H]1CN(C(=O)CC[NH2+]C(C)(C)C)C[C@@H]1[NH+](C)C ZINC000123785040 773014297 /nfs/dbraw/zinc/01/42/97/773014297.db2.gz OTNWNNXOKHJVJQ-NEPJUHHUSA-N 2 0 255.406 1.173 10 0 CDAERP CCC(CC)[C@@H](CNC(=[NH2+])NC1CC1)[NH+]1CCCC1 ZINC000066242771 773060047 /nfs/dbraw/zinc/06/00/47/773060047.db2.gz NKODJGDMWGYYNR-CQSZACIVSA-N 2 0 266.433 1.954 10 0 CDAERP CC1(C)C[C@@H]([NH2+]C2CCC(C(N)=O)CC2)C[C@@H]([NH3+])C1 ZINC000925603328 773089857 /nfs/dbraw/zinc/08/98/57/773089857.db2.gz LYYQKCOZOKBDQM-KPFVRQRISA-N 2 0 267.417 1.526 10 0 CDAERP CCOC(=O)CCN1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872151460 773103726 /nfs/dbraw/zinc/10/37/26/773103726.db2.gz KVKVSFYVYGUBTK-RKDXNWHRSA-N 2 0 268.279 1.009 10 0 CDAERP CC(C)CC[NH+]1CCC([NH2+][C@H](C)Cn2cncn2)CC1 ZINC000924850899 773273338 /nfs/dbraw/zinc/27/33/38/773273338.db2.gz WLQLQYOUKVHQEI-CQSZACIVSA-N 2 0 279.432 1.767 10 0 CDAERP CCO[C@H](C[NH2+][C@@H]1C[C@@H](OCC)C1(C)C)CN(C)C ZINC000926966496 773324053 /nfs/dbraw/zinc/32/40/53/773324053.db2.gz XDEWVGHPFONBSV-MGPQQGTHSA-N 2 0 272.433 1.746 10 0 CDAERP COC[C@H](CN1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)C(C)C ZINC000931546871 773329308 /nfs/dbraw/zinc/32/93/08/773329308.db2.gz NHTKMWACBWJPBJ-KKUMJFAQSA-N 2 0 254.418 1.931 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261896139 773332196 /nfs/dbraw/zinc/33/21/96/773332196.db2.gz WASNFSKSMDUTEJ-RRIFHVCJSA-N 2 0 279.428 1.601 10 0 CDAERP [NH3+]CCCCCCC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000843474470 773332434 /nfs/dbraw/zinc/33/24/34/773332434.db2.gz OYNOVGANMOBJJA-HNNXBMFYSA-N 2 0 267.417 1.498 10 0 CDAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](C[C@@H](O)CC(F)(F)F)CC2 ZINC000923440989 773479195 /nfs/dbraw/zinc/47/91/95/773479195.db2.gz JBBCGKVQYRWJTJ-WDEREUQCSA-N 2 0 296.333 1.130 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CC[NH+](C)[C@H]1C ZINC000922466773 773555897 /nfs/dbraw/zinc/55/58/97/773555897.db2.gz QKYOKOHXVNFDLI-MELADBBJSA-N 2 0 282.432 1.253 10 0 CDAERP CC1CC[NH+](CCC[NH2+]C[C@@H](O)CC(C)(C)O)CC1 ZINC000871969449 773663178 /nfs/dbraw/zinc/66/31/78/773663178.db2.gz WMKIFFVBBMDBNC-AWEZNQCLSA-N 2 0 272.433 1.220 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@H]1COc3ccccc3O1)C2 ZINC000709863488 773695506 /nfs/dbraw/zinc/69/55/06/773695506.db2.gz QREYFTZIRURWIE-CRWXNKLISA-N 2 0 274.364 1.638 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC001632943198 1166386530 /nfs/dbraw/zinc/38/65/30/1166386530.db2.gz OXENAAKUDLVYIQ-ZDUSSCGKSA-N 2 0 269.433 1.374 10 0 CDAERP C[NH+](C)[C@@H]1CCCC[C@H]1N[C@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC001334361463 1167475117 /nfs/dbraw/zinc/47/51/17/1167475117.db2.gz UDAICWBUFDTEOV-LJISPDSOSA-N 2 0 251.418 1.543 10 0 CDAERP CCC[N@H+](C)CCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001268254849 901677374 /nfs/dbraw/zinc/67/73/74/901677374.db2.gz FJGXANAMLYBGFT-ZDUSSCGKSA-N 2 0 255.406 1.128 10 0 CDAERP CCOCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1CC ZINC001566029399 1168215403 /nfs/dbraw/zinc/21/54/03/1168215403.db2.gz ZPHIMGILQVCWOK-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP CCOCC[N@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001566743020 1168406613 /nfs/dbraw/zinc/40/66/13/1168406613.db2.gz IHZOWGCMFHIHPK-HNNXBMFYSA-N 2 0 299.459 1.145 10 0 CDAERP O=C(Cc1ncc[nH]1)N1CCC[C@@H](C[NH2+]C/C=C\Cl)C1 ZINC001266814051 896105052 /nfs/dbraw/zinc/10/50/52/896105052.db2.gz IOKFCKHTLSHAMM-QQHVMHFCSA-N 2 0 296.802 1.533 10 0 CDAERP Cc1nccn1CCC[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000699625131 914050874 /nfs/dbraw/zinc/05/08/74/914050874.db2.gz VLGWHNJSFIWMOJ-OCCSQVGLSA-N 2 0 250.390 1.498 10 0 CDAERP CC[N@@H+](CC=C(C)C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001267248912 897331795 /nfs/dbraw/zinc/33/17/95/897331795.db2.gz JTYNMIGRFZIZJM-UHFFFAOYSA-N 2 0 281.444 1.733 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccsc1)N(C)C(=O)CC[NH+](C)C ZINC001496150933 897400005 /nfs/dbraw/zinc/40/00/05/897400005.db2.gz TVHIZSMXIJFLTP-LBPRGKRZSA-N 2 0 283.441 1.636 10 0 CDAERP CN(CC[NH2+]CCCO)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001267395223 897860045 /nfs/dbraw/zinc/86/00/45/897860045.db2.gz PAWZIRKZVIFLIS-UHFFFAOYSA-N 2 0 299.459 1.070 10 0 CDAERP CC(C)[C@H](C(=O)N(C)CC[NH2+]C[C@@H]1CCCCO1)[NH+](C)C ZINC001267424717 897890814 /nfs/dbraw/zinc/89/08/14/897890814.db2.gz ADNVHDMBNOZRMQ-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+]CCC(F)(F)F ZINC001267473960 898095935 /nfs/dbraw/zinc/09/59/35/898095935.db2.gz MDJZDAGKCGLIQE-UHFFFAOYSA-N 2 0 283.338 1.327 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001267513875 898195146 /nfs/dbraw/zinc/19/51/46/898195146.db2.gz PQUVVTLNVUUZDJ-KGLIPLIRSA-N 2 0 267.417 1.317 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CCC[N@H+](CC2CC2)C1)[NH+](C)C ZINC001267633586 899102529 /nfs/dbraw/zinc/10/25/29/899102529.db2.gz FOLGWEHPDZZEJY-UONOGXRCSA-N 2 0 267.417 1.317 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1CC[N@H+](CCC2CC2)C1)[NH+](C)C ZINC001267750513 899586700 /nfs/dbraw/zinc/58/67/00/899586700.db2.gz IBCOUARDBPOUTG-ZIAGYGMSSA-N 2 0 267.417 1.317 10 0 CDAERP CCN(CC[NH2+]CCC(C)C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268471535 902256096 /nfs/dbraw/zinc/25/60/96/902256096.db2.gz PJNQNKZTSHSXPM-CQSZACIVSA-N 2 0 269.433 1.565 10 0 CDAERP CCN(CC[NH2+]CC1CC1)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001268477320 902276570 /nfs/dbraw/zinc/27/65/70/902276570.db2.gz PNDZMKPNTBULMC-CQSZACIVSA-N 2 0 269.433 1.421 10 0 CDAERP CCN(CC[NH2+]Cc1ccns1)C(=O)CC[NH+](C)C ZINC001268476070 902275346 /nfs/dbraw/zinc/27/53/46/902275346.db2.gz OIMZEAVLYUECIG-UHFFFAOYSA-N 2 0 284.429 1.033 10 0 CDAERP CCN(CC[NH2+]C/C=C/Cl)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001268479524 902296200 /nfs/dbraw/zinc/29/62/00/902296200.db2.gz KXZWPVUFYBNLFO-DIECRNLCSA-N 2 0 287.835 1.519 10 0 CDAERP COCC[NH2+]C[C@@]1(NC(=O)CC[NH+](C)C)CCCC[C@H]1C ZINC001481962140 902408409 /nfs/dbraw/zinc/40/84/09/902408409.db2.gz QCYCYSCEOJYMAY-ZBFHGGJFSA-N 2 0 299.459 1.239 10 0 CDAERP CCOCC[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001268739924 903061412 /nfs/dbraw/zinc/06/14/12/903061412.db2.gz GNTSLCKCRIRTON-CQSZACIVSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)[N@@H+]1CC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001269249956 903608340 /nfs/dbraw/zinc/60/83/40/903608340.db2.gz XOONPGSCQOXMQS-KBPBESRZSA-N 2 0 267.417 1.460 10 0 CDAERP CC[NH2+]CC[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001269760728 904092388 /nfs/dbraw/zinc/09/23/88/904092388.db2.gz RMVDRQGXWKDVAS-AWEZNQCLSA-N 2 0 269.433 1.566 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]CCF)C2CCCC2)C1 ZINC001270458181 904654207 /nfs/dbraw/zinc/65/42/07/904654207.db2.gz KPXXAKZEUXIADY-KGLIPLIRSA-N 2 0 285.407 1.172 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@@](C)(C[NH2+]CCC2CC2)C1 ZINC001270823849 905101747 /nfs/dbraw/zinc/10/17/47/905101747.db2.gz QWMXFQBRUYIQTR-KRWDZBQOSA-N 2 0 295.471 1.957 10 0 CDAERP CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001270829661 905111672 /nfs/dbraw/zinc/11/16/72/905111672.db2.gz MOGXCWLUBNIWTK-TZMCWYRMSA-N 2 0 255.406 1.175 10 0 CDAERP CCCC[NH2+]C[C@H](C)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482354599 905178250 /nfs/dbraw/zinc/17/82/50/905178250.db2.gz RLICSGGBHIXIMG-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)C[C@@H](C[NH2+]CC1CC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482397340 905296201 /nfs/dbraw/zinc/29/62/01/905296201.db2.gz YFJBSXYAVXLIET-HOTGVXAUSA-N 2 0 295.471 1.859 10 0 CDAERP C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C[NH2+]CCCF ZINC001271661064 906580420 /nfs/dbraw/zinc/58/04/20/906580420.db2.gz WEYJYNCJGFBENZ-KBPBESRZSA-N 2 0 299.434 1.372 10 0 CDAERP CC[C@@H](F)C[NH2+]CC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001482868503 908448679 /nfs/dbraw/zinc/44/86/79/908448679.db2.gz UWDVJOYJCVFKCC-TZMCWYRMSA-N 2 0 287.423 1.561 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]C(C)C ZINC001483027491 908720089 /nfs/dbraw/zinc/72/00/89/908720089.db2.gz FKZBLXWWKWJTCW-NFAHFFEMSA-N 2 0 281.444 1.777 10 0 CDAERP CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1cnc(C)o1)[NH+](C)C ZINC001425599229 910369880 /nfs/dbraw/zinc/36/98/80/910369880.db2.gz RNFJGPBVBJMKNL-SMDDNHRTSA-N 2 0 296.415 1.260 10 0 CDAERP CC(C)C[NH2+]C[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001483283159 910787012 /nfs/dbraw/zinc/78/70/12/910787012.db2.gz JWBBIUVNLLBUBM-STQMWFEESA-N 2 0 255.406 1.079 10 0 CDAERP C[C@@H](C[N@H+](C)CCC1CCCC1)NC(=O)CC[NH+](C)C ZINC001483380794 911023353 /nfs/dbraw/zinc/02/33/53/911023353.db2.gz NYOBMAQPJVWJBQ-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP CCCC[NH2+]C[C@H]1CCCN1C(=O)CC[N@H+](C)CC ZINC001483951196 915235234 /nfs/dbraw/zinc/23/52/34/915235234.db2.gz XUXPZQLBZXPDMU-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001484126001 915448942 /nfs/dbraw/zinc/44/89/42/915448942.db2.gz SFJFVTSFVBPRHO-DZGCQCFKSA-N 2 0 267.417 1.176 10 0 CDAERP CC(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001485041374 916405405 /nfs/dbraw/zinc/40/54/05/916405405.db2.gz FZXLYOYTECPZMC-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1ccccc1F ZINC001485188554 916648871 /nfs/dbraw/zinc/64/88/71/916648871.db2.gz MNUYHTLOEKBSFI-QWHCGFSZSA-N 2 0 295.402 1.760 10 0 CDAERP CC(C)OCCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001485339841 916848837 /nfs/dbraw/zinc/84/88/37/916848837.db2.gz KTMYEGZZOYHEGI-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP CCCC[N@H+](C)[C@H](C)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001485386354 916939295 /nfs/dbraw/zinc/93/92/95/916939295.db2.gz WOQYRTDLNLAWLJ-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]C/C=C\Cl)C1 ZINC001485703645 917186400 /nfs/dbraw/zinc/18/64/00/917186400.db2.gz YRXBCGVFWJRIPK-ONTYGWCMSA-N 2 0 287.835 1.565 10 0 CDAERP C[C@H](CCC[NH2+]CC1CC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001485745164 917253871 /nfs/dbraw/zinc/25/38/71/917253871.db2.gz QVLRZXCAIBGCMI-CYBMUJFWSA-N 2 0 279.428 1.367 10 0 CDAERP CC(C)[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[NH+]1CCCC1 ZINC001485832375 919513705 /nfs/dbraw/zinc/51/37/05/919513705.db2.gz BJRWFSKVWZNELA-AWEZNQCLSA-N 2 0 267.417 1.317 10 0 CDAERP C[NH+](C)C1(C)CCC(NC(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000715560815 919890922 /nfs/dbraw/zinc/89/09/22/919890922.db2.gz FOTQYXMKAISSST-JVWICGRDSA-N 2 0 267.417 1.508 10 0 CDAERP C[C@@H](CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CC1CC1 ZINC001485886310 920546849 /nfs/dbraw/zinc/54/68/49/920546849.db2.gz UHURYJBLFBUBBY-ZFWWWQNUSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H](CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]C/C=C\Cl ZINC001485891686 920553544 /nfs/dbraw/zinc/55/35/44/920553544.db2.gz IWMBYWRFXKGUNW-UWNIJABGSA-N 2 0 287.835 1.660 10 0 CDAERP CCC[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001485922132 920578258 /nfs/dbraw/zinc/57/82/58/920578258.db2.gz GWKHFQMRDWIRLM-OLZOCXBDSA-N 2 0 255.406 1.175 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C[NH2+]C/C=C\Cl)C1 ZINC001486210278 920821882 /nfs/dbraw/zinc/82/18/82/920821882.db2.gz JLZOJGPGPSUPCS-VOYABRKTSA-N 2 0 287.835 1.565 10 0 CDAERP CC[NH+]1CCC(C2(NC(=O)CC[NH+](C)C)CC2)CC1 ZINC001486491419 921064879 /nfs/dbraw/zinc/06/48/79/921064879.db2.gz UQXHYELOGDBJJN-UHFFFAOYSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC001141251311 936835728 /nfs/dbraw/zinc/83/57/28/936835728.db2.gz ZMCWRXYQPZVSJF-GFCCVEGCSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]C/C=C/Cl ZINC001491493857 936924180 /nfs/dbraw/zinc/92/41/80/936924180.db2.gz ADEXBBHSELOQRV-WXJAXGNASA-N 2 0 299.846 1.709 10 0 CDAERP CC[C@H](C(=O)N1CCCC[C@@H]1CC[NH2+]CCF)[NH+](C)C ZINC001568386610 1169270254 /nfs/dbraw/zinc/27/02/54/1169270254.db2.gz FTNOIWWTWIMSJX-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP CC[C@H](C)C[NH2+]CCN(CC)C(=O)C[NH+]1CCCC1 ZINC001273752001 925213183 /nfs/dbraw/zinc/21/31/83/925213183.db2.gz CINQCNDUZLMJPA-AWEZNQCLSA-N 2 0 269.433 1.566 10 0 CDAERP CCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001410185989 925362802 /nfs/dbraw/zinc/36/28/02/925362802.db2.gz NZIPOXRNLODTEN-ARFHVFGLSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CCC[C@H](C)O ZINC001491545254 937061956 /nfs/dbraw/zinc/06/19/56/937061956.db2.gz AYMSTMHQBJHECE-KGLIPLIRSA-N 2 0 299.459 1.116 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC2CC2)[C@H]1C ZINC001410921583 926767289 /nfs/dbraw/zinc/76/72/89/926767289.db2.gz HRDVHSXTVYTXHD-DZGCQCFKSA-N 2 0 281.444 1.706 10 0 CDAERP C[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)CCC1CC1 ZINC001490213666 927014649 /nfs/dbraw/zinc/01/46/49/927014649.db2.gz LGCWBXIOXDISTB-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](CC2CC(C)C2)C1 ZINC001438249554 927024871 /nfs/dbraw/zinc/02/48/71/927024871.db2.gz DCYYNQSPJORNPR-UYSNPLJNSA-N 2 0 295.471 1.905 10 0 CDAERP CC(C)[NH+]1CCCC[C@H]1C(=O)NCCC[N@@H+](C)C[C@H](C)O ZINC001490255450 927063871 /nfs/dbraw/zinc/06/38/71/927063871.db2.gz CVTSMJVWHYLPMK-GJZGRUSLSA-N 2 0 299.459 1.068 10 0 CDAERP CC(C)=CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001490458401 927192740 /nfs/dbraw/zinc/19/27/40/927192740.db2.gz PEVMZNXRLDNMOI-OAHLLOKOSA-N 2 0 281.444 1.873 10 0 CDAERP CCC[NH2+]C1CC(N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001411234809 927282769 /nfs/dbraw/zinc/28/27/69/927282769.db2.gz JCWCKFQOGBNESP-SHARSMKWSA-N 2 0 281.444 1.850 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@@H]([NH2+]CC1CCC1)C1CC1 ZINC001490739650 927314863 /nfs/dbraw/zinc/31/48/63/927314863.db2.gz JNOZGAKKMWZMTF-OAHLLOKOSA-N 2 0 279.428 1.367 10 0 CDAERP CN(C)C(=O)N(C)[C@H]1CC[N@H+](CCCCCCC[NH3+])C1 ZINC000852761525 927865107 /nfs/dbraw/zinc/86/51/07/927865107.db2.gz WZSAGWRXULLZGB-AWEZNQCLSA-N 2 0 284.448 1.583 10 0 CDAERP CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCC[C@@H](C)O)C1)[NH+](C)C ZINC001274121640 931183732 /nfs/dbraw/zinc/18/37/32/931183732.db2.gz FWRLFSAKQIXOHO-KFWWJZLASA-N 2 0 299.459 1.068 10 0 CDAERP COCCC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001275054545 931645010 /nfs/dbraw/zinc/64/50/10/931645010.db2.gz YBWAXDNGLHUELV-HNNXBMFYSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001275156606 931683129 /nfs/dbraw/zinc/68/31/29/931683129.db2.gz GLMHZGNMROHRPA-DZGCQCFKSA-N 2 0 279.428 1.389 10 0 CDAERP CC(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001275468354 931813295 /nfs/dbraw/zinc/81/32/95/931813295.db2.gz ALQJOSCLTDSRRS-STQMWFEESA-N 2 0 257.422 1.467 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)CCCC[NH2+]C)CC1 ZINC000719679162 932192361 /nfs/dbraw/zinc/19/23/61/932192361.db2.gz MOQMUEGHQNGKHH-UHFFFAOYSA-N 2 0 269.433 1.757 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[NH+](C)[C@@H](C)C2)C1 ZINC001412186537 932313703 /nfs/dbraw/zinc/31/37/03/932313703.db2.gz JHSUYWZNAHUHCL-QLFBSQMISA-N 2 0 281.444 1.658 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H]3[C@H]2CCC[NH+]3C)C1 ZINC001412559387 932499454 /nfs/dbraw/zinc/49/94/54/932499454.db2.gz NRUGCNHCOWKDMP-ARFHVFGLSA-N 2 0 293.455 1.802 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@H](CC[NH+](C)C)C2)C1 ZINC001412578534 932516117 /nfs/dbraw/zinc/51/61/17/932516117.db2.gz ZPAYHAIHNSHDOE-HZPDHXFCSA-N 2 0 295.471 1.909 10 0 CDAERP O=C(CC[N@H+]1CC[C@@H](F)C1)Nc1ccc2c[nH+]cn2c1 ZINC001412717432 932664456 /nfs/dbraw/zinc/66/44/56/932664456.db2.gz GWQPDMOEINMCIL-LLVKDONJSA-N 2 0 276.315 1.707 10 0 CDAERP c1ccc([C@H]2CC[NH2+]C[C@H]2N[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)cc1 ZINC000925708654 932930101 /nfs/dbraw/zinc/93/01/01/932930101.db2.gz CYQJALKJUIJQAG-XTZSBGGHSA-N 2 0 297.446 1.718 10 0 CDAERP C[N@@H+]1CC[C@@H]2C[NH+](CCC[C@@H]3CCOC3)C[C@@H]2C1 ZINC000931442242 933562558 /nfs/dbraw/zinc/56/25/58/933562558.db2.gz ZONLVTXEBKLVQA-KFWWJZLASA-N 2 0 252.402 1.687 10 0 CDAERP CN(C[C@H]1CCC[N@@H+]1C)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001119609048 937738413 /nfs/dbraw/zinc/73/84/13/937738413.db2.gz ZILJWRDEPQNQNJ-IJLUTSLNSA-N 2 0 294.365 1.139 10 0 CDAERP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C1([NH+](C)C)CCCC1 ZINC001412931063 935099757 /nfs/dbraw/zinc/09/97/57/935099757.db2.gz RLZWGCGOFAUVGD-CABCVRRESA-N 2 0 293.455 1.946 10 0 CDAERP C[C@H](CC[NH2+]CCCF)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001568633298 1169409184 /nfs/dbraw/zinc/40/91/84/1169409184.db2.gz CEDZNRCOCMLVHS-JHJVBQTASA-N 2 0 273.396 1.171 10 0 CDAERP CC(C)(C)[NH2+]CC(=O)N1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001413395101 936010447 /nfs/dbraw/zinc/01/04/47/936010447.db2.gz QHADUEIMELBLLX-HNNXBMFYSA-N 2 0 289.423 1.418 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)C[C@@H]([NH3+])C(C)(C)C ZINC000136948140 938585240 /nfs/dbraw/zinc/58/52/40/938585240.db2.gz KXSJSFZELCJDGN-VXGBXAGGSA-N 2 0 255.406 1.303 10 0 CDAERP Cc1ncc(C[NH2+]CC[C@H](C)NC(=O)CC[NH+](C)C)s1 ZINC001568671705 1169423798 /nfs/dbraw/zinc/42/37/98/1169423798.db2.gz ABPHHALWKRNTBU-NSHDSACASA-N 2 0 298.456 1.388 10 0 CDAERP c1cc(N2CCC[N@@H+](CC3=NOCC3)CC2)cc[nH+]1 ZINC001473586512 970821779 /nfs/dbraw/zinc/82/17/79/970821779.db2.gz NWSOFDKCJZILMU-UHFFFAOYSA-N 2 0 260.341 1.370 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC001362064483 970838476 /nfs/dbraw/zinc/83/84/76/970838476.db2.gz QMZCAOWBKNAQEV-GDBMZVCRSA-N 2 0 295.471 1.765 10 0 CDAERP O=C1OCC[C@]12CC[N@H+](CCC[NH+]1CCCCC1)C2 ZINC001473899839 970889811 /nfs/dbraw/zinc/88/98/11/970889811.db2.gz UCPSFBVDAQNSAD-HNNXBMFYSA-N 2 0 266.385 1.501 10 0 CDAERP CCOCC[N@H+](C)C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001277441449 942578123 /nfs/dbraw/zinc/57/81/23/942578123.db2.gz QGMCEMLTVDUXMI-HNNXBMFYSA-N 2 0 299.459 1.286 10 0 CDAERP CCC[NH2+][C@H](C)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001282143252 942667893 /nfs/dbraw/zinc/66/78/93/942667893.db2.gz SEJIBBXMYBSUDY-NEPJUHHUSA-N 2 0 255.406 1.364 10 0 CDAERP CC(C)=CC[N@@H+](C)CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001265061194 944217834 /nfs/dbraw/zinc/21/78/34/944217834.db2.gz HXUDHQWCFSZQGO-HNNXBMFYSA-N 2 0 283.460 1.977 10 0 CDAERP CCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001265317247 944342800 /nfs/dbraw/zinc/34/28/00/944342800.db2.gz LWDCYBUKPAAQFR-KBPBESRZSA-N 2 0 267.417 1.319 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCCC(C)C)C1)[NH+](C)C ZINC001265495812 944409183 /nfs/dbraw/zinc/40/91/83/944409183.db2.gz HWBUMIDHYJKYQU-KKUMJFAQSA-N 2 0 283.460 2.000 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CCCF)C1 ZINC001265613956 944447357 /nfs/dbraw/zinc/44/73/57/944447357.db2.gz ZOPXXNCQPFTCQL-HUUCEWRRSA-N 2 0 299.434 1.659 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CCCF)C1 ZINC001265613955 944447888 /nfs/dbraw/zinc/44/78/88/944447888.db2.gz ZOPXXNCQPFTCQL-GJZGRUSLSA-N 2 0 299.434 1.659 10 0 CDAERP CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CCCOC)C1)[NH+](C)C ZINC001265631192 944451833 /nfs/dbraw/zinc/45/18/33/944451833.db2.gz ZDYFPPKUQCDAOR-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP CC/C=C/CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001278016715 944586272 /nfs/dbraw/zinc/58/62/72/944586272.db2.gz DTOKINHPOODPKQ-WLBISTCBSA-N 2 0 281.444 1.731 10 0 CDAERP C[N@H+](CCCNC(=O)C[NH+]1CCCC1)CC1CC(C)(C)C1 ZINC001265974664 944609534 /nfs/dbraw/zinc/60/95/34/944609534.db2.gz WXINCRCTYIZHGD-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+]CCC2CC2)C1 ZINC001266027127 944640506 /nfs/dbraw/zinc/64/05/06/944640506.db2.gz ZCSMXZPQOSDMRH-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP CC[N@H+](C)CCC(=O)NC1(C)CC[NH+](CCCOC)CC1 ZINC001278087646 944731504 /nfs/dbraw/zinc/73/15/04/944731504.db2.gz IMMDCSDNJQTOPR-UHFFFAOYSA-N 2 0 299.459 1.335 10 0 CDAERP CC(C)C[NH2+]CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC001261502649 946149530 /nfs/dbraw/zinc/14/95/30/946149530.db2.gz UIWSZFCWBFOQIZ-CHWSQXEVSA-N 2 0 255.406 1.173 10 0 CDAERP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001362438069 971271856 /nfs/dbraw/zinc/27/18/56/971271856.db2.gz HAFAIAGKQXPVFO-QLFBSQMISA-N 2 0 297.418 1.506 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001479264234 971280122 /nfs/dbraw/zinc/28/01/22/971280122.db2.gz JVPRDFXWNNBVKX-JKSUJKDBSA-N 2 0 295.471 1.907 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1C[C@@H]([NH2+]CCF)C1 ZINC001479301421 971293666 /nfs/dbraw/zinc/29/36/66/971293666.db2.gz KGAZDVUHQCSWAO-MJBXVCDLSA-N 2 0 285.407 1.315 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001479340334 971302565 /nfs/dbraw/zinc/30/25/65/971302565.db2.gz GLAUHBAMXPVVBO-IGQOVBAYSA-N 2 0 285.407 1.171 10 0 CDAERP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCCF)C2)CC[N@@H+]1C ZINC001479368096 971314374 /nfs/dbraw/zinc/31/43/74/971314374.db2.gz BRIUNENMLMTWDL-AAVRWANBSA-N 2 0 285.407 1.171 10 0 CDAERP CC1CC(C[NH2+][C@H]2C[C@H](CNC(=O)C[NH+]3CCCC3)C2)C1 ZINC001479413580 971322652 /nfs/dbraw/zinc/32/26/52/971322652.db2.gz HDCDCJMRBPEHAC-QJKUTOJQSA-N 2 0 293.455 1.613 10 0 CDAERP C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H](C[NH2+]CCF)C1 ZINC001479571760 971340942 /nfs/dbraw/zinc/34/09/42/971340942.db2.gz BFURGEBBCFDKIZ-HIFRSBDPSA-N 2 0 299.434 1.514 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCCF)[C@@H]1C ZINC001479729751 971385391 /nfs/dbraw/zinc/38/53/91/971385391.db2.gz IGKRPEXRABRQFQ-OLZOCXBDSA-N 2 0 273.396 1.265 10 0 CDAERP CC[C@H](C(=O)NCCC[N@H+](C)C[C@H]1CCCCO1)[NH+](C)C ZINC001479808074 971431907 /nfs/dbraw/zinc/43/19/07/971431907.db2.gz OZMIRSZVHSUOLR-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CCCC1 ZINC001362875462 971684872 /nfs/dbraw/zinc/68/48/72/971684872.db2.gz VXYSJGMEIHUUHE-LSDHHAIUSA-N 2 0 293.455 1.994 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(C)C)CC[N@@H+]1C ZINC001480464936 971742463 /nfs/dbraw/zinc/74/24/63/971742463.db2.gz WVJNNINISJGYLW-HZSPNIEDSA-N 2 0 269.433 1.467 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001569121414 1169668607 /nfs/dbraw/zinc/66/86/07/1169668607.db2.gz ICOIQCRLZMQRLK-CQSZACIVSA-N 2 0 281.444 1.873 10 0 CDAERP CC(C)C[NH2+][C@H](C)CCNC(=O)C[N@H+](C)C(C)C ZINC001480813509 971890740 /nfs/dbraw/zinc/89/07/40/971890740.db2.gz HOTFUOQYXYBCBQ-CYBMUJFWSA-N 2 0 257.422 1.467 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C)[C@H](C(C)(C)C)C2)C1 ZINC001363695901 953665221 /nfs/dbraw/zinc/66/52/21/953665221.db2.gz HAQVCZFSKQYYKO-KBPBESRZSA-N 2 0 281.444 1.517 10 0 CDAERP CCC(CC)C[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001493130951 971957539 /nfs/dbraw/zinc/95/75/39/971957539.db2.gz HDUOWFYMECJCOP-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CC[C@H](C[NH2+]CCF)CC1 ZINC001325666293 954016299 /nfs/dbraw/zinc/01/62/99/954016299.db2.gz URGIWDSEOSKOJT-HDJSIYSDSA-N 2 0 287.423 1.420 10 0 CDAERP C[C@H](NC(=O)C1([NH+](C)C)CCCC1)C1=CC[N@H+](C)CC1 ZINC001296259271 954835253 /nfs/dbraw/zinc/83/52/53/954835253.db2.gz XCTPNYRKYJNFIR-ZDUSSCGKSA-N 2 0 279.428 1.627 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H](CC)[NH2+][C@@H](C)C2)C1 ZINC001363315387 972080189 /nfs/dbraw/zinc/08/01/89/972080189.db2.gz FZLKSHRGTWPZFV-RRFJBIMHSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cccc(F)c1 ZINC001491674126 955382045 /nfs/dbraw/zinc/38/20/45/955382045.db2.gz MUOIEPKHVQZMHV-ZDUSSCGKSA-N 2 0 293.386 1.516 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001328753032 955454996 /nfs/dbraw/zinc/45/49/96/955454996.db2.gz OFINWQHFZGKKLF-HZPDHXFCSA-N 2 0 293.455 1.970 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H](C[NH2+]CC2CC2)C1 ZINC001491808425 955474611 /nfs/dbraw/zinc/47/46/11/955474611.db2.gz KIBMTRMQIMMIQA-CABCVRRESA-N 2 0 299.434 1.514 10 0 CDAERP CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1nocc1C)[NH+](C)C ZINC001421762443 955531932 /nfs/dbraw/zinc/53/19/32/955531932.db2.gz ZLKBZWYJKCKADL-FZMZJTMJSA-N 2 0 296.415 1.165 10 0 CDAERP C[C@@H](CCNC(=O)CC[NH+](C)C)[NH2+]CC1CCCC1 ZINC001492078229 955639799 /nfs/dbraw/zinc/63/97/99/955639799.db2.gz QKFZUTJFJWVMAV-ZDUSSCGKSA-N 2 0 269.433 1.613 10 0 CDAERP C[C@@H](C[NH2+]CC1CCC1)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001421898765 955642338 /nfs/dbraw/zinc/64/23/38/955642338.db2.gz FSAFNDRMPCQXIV-XJKSGUPXSA-N 2 0 293.455 1.565 10 0 CDAERP CCC[NH2+]CCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001493803603 972115598 /nfs/dbraw/zinc/11/55/98/972115598.db2.gz PYSAWPLALITCIV-STQMWFEESA-N 2 0 255.406 1.317 10 0 CDAERP CC(C)[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CCF ZINC001422114661 955750686 /nfs/dbraw/zinc/75/06/86/955750686.db2.gz GYOHYGWRGJDLSR-QWHCGFSZSA-N 2 0 273.396 1.028 10 0 CDAERP CC[NH2+][C@H](C)[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001329198494 955751662 /nfs/dbraw/zinc/75/16/62/955751662.db2.gz XHYSIYUXRUCCHV-ZIAGYGMSSA-N 2 0 269.433 1.755 10 0 CDAERP CC(C)CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001422133022 955765469 /nfs/dbraw/zinc/76/54/69/955765469.db2.gz NYQBFYKUROQHCC-CABCVRRESA-N 2 0 283.460 1.715 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C1C[NH+](CC2CCCC2)C1)[NH+](C)C ZINC001422751156 956309799 /nfs/dbraw/zinc/30/97/99/956309799.db2.gz JIPIPRAWGIKLBX-CZUORRHYSA-N 2 0 295.471 1.953 10 0 CDAERP CCCC[N@@H+]1CCO[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001422767864 956324193 /nfs/dbraw/zinc/32/41/93/956324193.db2.gz KDEMXIVPLNAFSM-INIZCTEOSA-N 2 0 297.443 1.042 10 0 CDAERP CCC[NH2+][C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001366048298 956533128 /nfs/dbraw/zinc/53/31/28/956533128.db2.gz HIKQGOXUNAZIQJ-CQSZACIVSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cncs2)C1 ZINC001366131736 956588811 /nfs/dbraw/zinc/58/88/11/956588811.db2.gz ORFKJNBXZGYVMV-HAQNSBGRSA-N 2 0 296.440 1.220 10 0 CDAERP C[C@@H](CN(C)C(=O)CCC[NH+](C)C)[NH2+]Cc1cncs1 ZINC001423116066 956600740 /nfs/dbraw/zinc/60/07/40/956600740.db2.gz ZUBSAAHBOZQDNC-LBPRGKRZSA-N 2 0 298.456 1.421 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]CC2CCCC2)C(C)(C)C1 ZINC001423402304 956762519 /nfs/dbraw/zinc/76/25/19/956762519.db2.gz NKHIJLGMLIVSDM-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@H](C)c1ccccc1 ZINC001366360993 956771838 /nfs/dbraw/zinc/77/18/38/956771838.db2.gz WKQBZUCWAJHCHN-HUUCEWRRSA-N 2 0 289.423 1.938 10 0 CDAERP CO[C@@H](C)C[N@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001366438204 956827662 /nfs/dbraw/zinc/82/76/62/956827662.db2.gz XLNMRHQMOGSUTQ-GJZGRUSLSA-N 2 0 297.443 1.040 10 0 CDAERP CC(C)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001423613799 956901245 /nfs/dbraw/zinc/90/12/45/956901245.db2.gz IXSBFOAZODIKDY-BFYDXBDKSA-N 2 0 295.471 1.811 10 0 CDAERP CC[NH+]1CCC([C@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001423658302 956920967 /nfs/dbraw/zinc/92/09/67/956920967.db2.gz WDCUPFBEZUNJHO-KBPBESRZSA-N 2 0 281.444 1.565 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](C[NH2+]CC2CCC2)C1 ZINC001423944750 957047545 /nfs/dbraw/zinc/04/75/45/957047545.db2.gz FVLHMANJEODUOY-GOEBONIOSA-N 2 0 295.471 1.812 10 0 CDAERP CC[N@H+](CCCNC(=O)C[C@@H]1CC[NH+](C)C1)CC1CCC1 ZINC001316907351 957109801 /nfs/dbraw/zinc/10/98/01/957109801.db2.gz MTCNKXIJUCRZIH-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001316986021 957182394 /nfs/dbraw/zinc/18/23/94/957182394.db2.gz JTQKXOIRCWMNEL-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCCCCF)C2)CC1 ZINC001316985540 957184299 /nfs/dbraw/zinc/18/42/99/957184299.db2.gz HABYNVODPBWOQG-OAHLLOKOSA-N 2 0 299.434 1.659 10 0 CDAERP CC[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CCF)C1)[NH+](C)C ZINC001366873548 957237257 /nfs/dbraw/zinc/23/72/57/957237257.db2.gz RXGUWMZUHADWIB-QWHCGFSZSA-N 2 0 273.396 1.076 10 0 CDAERP CCCC[NH2+]C[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001317162307 957313743 /nfs/dbraw/zinc/31/37/43/957313743.db2.gz NQWGYZJGWFITIB-OAHLLOKOSA-N 2 0 293.455 1.711 10 0 CDAERP CC/C=C\CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001317242484 957374659 /nfs/dbraw/zinc/37/46/59/957374659.db2.gz QVEBJYUTEFNNKI-DWMWFBOSSA-N 2 0 281.444 1.777 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001317322752 957423025 /nfs/dbraw/zinc/42/30/25/957423025.db2.gz PWFDSYFFIBLUEF-GOEBONIOSA-N 2 0 293.455 1.566 10 0 CDAERP O=C(NCC1C[NH+](CCCCCF)C1)C12CC[NH+](CC1)C2 ZINC001494615434 972268561 /nfs/dbraw/zinc/26/85/61/972268561.db2.gz RIZXWGYZLYKFKP-UHFFFAOYSA-N 2 0 297.418 1.270 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)C1C[NH+](CC[C@H](C)F)C1 ZINC001425265345 957499804 /nfs/dbraw/zinc/49/98/04/957499804.db2.gz ZWYQZMZHKHMPSO-NWDGAFQWSA-N 2 0 273.396 1.123 10 0 CDAERP C[C@@]1(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)CC[NH2+]C1 ZINC001332358724 957529723 /nfs/dbraw/zinc/52/97/23/957529723.db2.gz KZZLSYLCHQFWKG-CQSZACIVSA-N 3 0 251.418 1.452 10 0 CDAERP CCC(CC)C[NH2+]CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001317656199 957626174 /nfs/dbraw/zinc/62/61/74/957626174.db2.gz YDPTVILZJNUCNZ-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP Cc1cc(C[NH2+][C@@H](CNC(=O)CC[NH+](C)C)C(C)C)on1 ZINC001367478605 958046051 /nfs/dbraw/zinc/04/60/51/958046051.db2.gz IWPHUSPFJAMIDI-AWEZNQCLSA-N 2 0 296.415 1.165 10 0 CDAERP CCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](CC2CC2)C1 ZINC001318483018 958128066 /nfs/dbraw/zinc/12/80/66/958128066.db2.gz ONSYDEGRELAQSB-AWEZNQCLSA-N 2 0 267.417 1.271 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1oc(C)nc1C)[NH+](C)C ZINC001367767555 958319262 /nfs/dbraw/zinc/31/92/62/958319262.db2.gz MMZWNLJKESXMHI-GXFFZTMASA-N 2 0 296.415 1.226 10 0 CDAERP C[C@@H](C[NH2+]CCC1CC1)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001319460369 958576028 /nfs/dbraw/zinc/57/60/28/958576028.db2.gz KWENBNBKVLOGEF-BBRMVZONSA-N 2 0 293.455 1.565 10 0 CDAERP CC[NH+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CC3)C2)CC1 ZINC001368429447 958838393 /nfs/dbraw/zinc/83/83/93/958838393.db2.gz ZKEUZFNEFADMKQ-UHFFFAOYSA-N 2 0 279.428 1.273 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]C(C)C ZINC001495047520 972387130 /nfs/dbraw/zinc/38/71/30/972387130.db2.gz VINCDQSPJOEVRI-MELADBBJSA-N 2 0 269.433 1.610 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCN1C/C=C/Cl ZINC001368769683 959116136 /nfs/dbraw/zinc/11/61/36/959116136.db2.gz XVXPHTRGKQWVBP-PIPQINALSA-N 2 0 299.846 1.802 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC1CC1 ZINC001320441327 959178197 /nfs/dbraw/zinc/17/81/97/959178197.db2.gz ZIQYHOTTYMLIAM-HIFRSBDPSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccccn1 ZINC001371183865 972409957 /nfs/dbraw/zinc/40/99/57/972409957.db2.gz FJCJBAPSBIHHBV-UMVBOHGHSA-N 2 0 290.411 1.016 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CC[NH2+]CC1CC(C)C1 ZINC001320643509 959287959 /nfs/dbraw/zinc/28/79/59/959287959.db2.gz FQBYIWIEBFAGOZ-SHARSMKWSA-N 2 0 283.460 1.857 10 0 CDAERP Cc1oncc1C[NH2+]CC[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001320644734 959292657 /nfs/dbraw/zinc/29/26/57/959292657.db2.gz NNGSWYKQEZZLLI-GFCCVEGCSA-N 2 0 296.415 1.308 10 0 CDAERP O=C(NC/C=C\C[NH2+]C/C=C\Cl)C12CC[NH+](CC1)C2 ZINC001321336955 959729083 /nfs/dbraw/zinc/72/90/83/959729083.db2.gz NZUDMNPQZQGIBE-LBXZXVAKSA-N 2 0 283.803 1.097 10 0 CDAERP CC[C@@H](C(=O)N(CC[N@H+](C)CC1CC1)C(C)C)[NH+](C)C ZINC001369524079 959736387 /nfs/dbraw/zinc/73/63/87/959736387.db2.gz GDUAYEFMXFQUHR-HNNXBMFYSA-N 2 0 283.460 1.905 10 0 CDAERP C[C@@](C[NH2+]CC1CC1)(NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001495293559 972466319 /nfs/dbraw/zinc/46/63/19/972466319.db2.gz NNAIQTDNPZUBJB-INIZCTEOSA-N 2 0 291.439 1.367 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CC[C@@H](C)O2)C1 ZINC001370564946 960146894 /nfs/dbraw/zinc/14/68/94/960146894.db2.gz OFFKTJSDOULIJC-TUVASFSCSA-N 2 0 297.443 1.131 10 0 CDAERP CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001323001199 960400309 /nfs/dbraw/zinc/40/03/09/960400309.db2.gz WAGYKHJAAAVWSM-HUUCEWRRSA-N 2 0 281.444 1.754 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001323294807 960619122 /nfs/dbraw/zinc/61/91/22/960619122.db2.gz ZLRGBARGLFZIMM-CHWSQXEVSA-N 2 0 255.406 1.175 10 0 CDAERP CC[N@H+](CCNC(=O)Cn1ccnc1)CC1CC(C)(C)C1 ZINC001418582253 960754670 /nfs/dbraw/zinc/75/46/70/960754670.db2.gz HGEVPIUWBDISJI-UHFFFAOYSA-N 2 0 292.427 1.757 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001418673928 960883319 /nfs/dbraw/zinc/88/33/19/960883319.db2.gz XVIJWWUGWNXIFE-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](C(=O)NC[C@@H]1CC[N@H+](CCF)C1)[NH+]1CCCCCC1 ZINC001418682673 960901978 /nfs/dbraw/zinc/90/19/78/960901978.db2.gz IZVDPCSPZWBJGG-GJZGRUSLSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)CC1 ZINC001434033070 960908997 /nfs/dbraw/zinc/90/89/97/960908997.db2.gz YVMIYCHHWQOBMA-GOEBONIOSA-N 2 0 295.471 1.905 10 0 CDAERP C[C@H]1C[C@H]([NH2+]CCCF)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001324083085 961159202 /nfs/dbraw/zinc/15/92/02/961159202.db2.gz VGVWWVJIAXDPMO-UONOGXRCSA-N 2 0 299.434 1.657 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCOC)C[C@@H]1C ZINC001324096446 961161755 /nfs/dbraw/zinc/16/17/55/961161755.db2.gz BCKYUOBJGOWSFU-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP CC[NH+](CC)CC[C@@H](C)NC(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001434423239 961349585 /nfs/dbraw/zinc/34/95/85/961349585.db2.gz KITYBXCQROTPAE-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP C[N@H+](C[C@@H](O)CN1CCC[C@@H](c2ccncn2)C1)C1CC1 ZINC001434456495 961428847 /nfs/dbraw/zinc/42/88/47/961428847.db2.gz DMNFRHKLZKPFPP-UKRRQHHQSA-N 2 0 290.411 1.111 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2conc2C)C1 ZINC001419522546 961787550 /nfs/dbraw/zinc/78/75/50/961787550.db2.gz WBFSQQFNLCEWHQ-OKILXGFUSA-N 2 0 294.399 1.062 10 0 CDAERP COC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001419521467 961788107 /nfs/dbraw/zinc/78/81/07/961788107.db2.gz VZOZWZCVNYUKJJ-KFWWJZLASA-N 2 0 297.443 1.134 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCC[NH+]2CC2CC2)C1 ZINC001419612469 961868312 /nfs/dbraw/zinc/86/83/12/961868312.db2.gz YPAVKVDNFBQSPI-HOCLYGCPSA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1ccns1 ZINC001419764241 962083234 /nfs/dbraw/zinc/08/32/34/962083234.db2.gz KQOYMJBINVOGLX-GFCCVEGCSA-N 2 0 298.456 1.420 10 0 CDAERP CC(C)[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]C/C=C\Cl ZINC001419933702 962248052 /nfs/dbraw/zinc/24/80/52/962248052.db2.gz KTUXNPWCKSULIW-ODBHDECVSA-N 2 0 287.835 1.421 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001436845382 962453229 /nfs/dbraw/zinc/45/32/29/962453229.db2.gz SLYMDSZEZYZIKP-JKSUJKDBSA-N 2 0 295.471 1.909 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]2C[NH+](CC)CC[C@H]21 ZINC001436942952 962513070 /nfs/dbraw/zinc/51/30/70/962513070.db2.gz IBZBABPPVVTUSF-HUUCEWRRSA-N 2 0 281.444 1.661 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001436954892 962525237 /nfs/dbraw/zinc/52/52/37/962525237.db2.gz QIUVOOGXPHTAEZ-APIJFGDWSA-N 2 0 299.434 1.846 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCC(C)C ZINC001420235748 962610070 /nfs/dbraw/zinc/61/00/70/962610070.db2.gz HELYLSWHEQLJIL-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001437725659 963146749 /nfs/dbraw/zinc/14/67/49/963146749.db2.gz VZUXMHXJZTWEIB-HUUCEWRRSA-N 2 0 295.471 1.812 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+](CC[C@@H](C)F)C1 ZINC001437738364 963155496 /nfs/dbraw/zinc/15/54/96/963155496.db2.gz JDJMAXUJPBYCKT-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP O=C(NCC1([NH2+]C/C=C/Cl)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001420943231 963376205 /nfs/dbraw/zinc/37/62/05/963376205.db2.gz VGQSBZZFXWQDKP-VXYHDWQYSA-N 2 0 297.830 1.319 10 0 CDAERP CC(C)[C@H](C(=O)N(C)C1C[NH+](CC2CCCC2)C1)[NH+](C)C ZINC001421070618 963442319 /nfs/dbraw/zinc/44/23/19/963442319.db2.gz OJYBYKCOVXXFGG-MRXNPFEDSA-N 2 0 295.471 1.905 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001438548212 963483357 /nfs/dbraw/zinc/48/33/57/963483357.db2.gz CKOVRDBOFXZAJM-OLZOCXBDSA-N 2 0 273.396 1.172 10 0 CDAERP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]CC1CCCC1 ZINC001438775669 963545825 /nfs/dbraw/zinc/54/58/25/963545825.db2.gz QCUIPNWJRDPFRT-GOEBONIOSA-N 2 0 295.471 1.955 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CC[NH+]2CCCCCF)C1 ZINC001569379561 1169830049 /nfs/dbraw/zinc/83/00/49/1169830049.db2.gz DCABAAGUNSLJLD-CABCVRRESA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]CC2CCC2)C1 ZINC001440130956 963932528 /nfs/dbraw/zinc/93/25/28/963932528.db2.gz BLOYWPYODHALBE-GOEBONIOSA-N 2 0 295.471 1.811 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1C[C@H](C)[C@@H](C[NH2+]CC2CC2)C1 ZINC001440135638 963933329 /nfs/dbraw/zinc/93/33/29/963933329.db2.gz LGRVDLZSOOEVAY-HOCLYGCPSA-N 2 0 295.471 1.812 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@H]1CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001440257588 963957969 /nfs/dbraw/zinc/95/79/69/963957969.db2.gz WJWJXCIGFWETBX-CABCVRRESA-N 2 0 295.471 1.907 10 0 CDAERP CCC[NH2+][C@@H]1CC[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001440407128 964024673 /nfs/dbraw/zinc/02/46/73/964024673.db2.gz BGKUKIWLAIGVOH-SOUVJXGZSA-N 2 0 281.444 1.613 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)[NH+](C)C(C)C)C1 ZINC001440963878 964294899 /nfs/dbraw/zinc/29/48/99/964294899.db2.gz SECRUSDYGFAOMW-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001441492910 964550023 /nfs/dbraw/zinc/55/00/23/964550023.db2.gz AKUKWWGOGSQKID-ZNMIVQPWSA-N 2 0 281.444 1.754 10 0 CDAERP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CCC1CCCC1 ZINC001441583509 964603611 /nfs/dbraw/zinc/60/36/11/964603611.db2.gz BTTXHQMCJFQJEH-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H]1CCC[NH+](CCF)C1 ZINC001441688424 964653019 /nfs/dbraw/zinc/65/30/19/964653019.db2.gz XMEKYVOZSDGJJU-KBPBESRZSA-N 2 0 287.423 1.513 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001442897187 965264643 /nfs/dbraw/zinc/26/46/43/965264643.db2.gz WRHZVQXERZQWFM-QWHCGFSZSA-N 2 0 273.396 1.124 10 0 CDAERP CN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001443332140 965445871 /nfs/dbraw/zinc/44/58/71/965445871.db2.gz GYZHUUMCHZLIQW-XHSDSOJGSA-N 2 0 293.455 1.659 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001444326932 965795978 /nfs/dbraw/zinc/79/59/78/965795978.db2.gz QSZXJWNWCKFXJQ-CHWSQXEVSA-N 2 0 287.423 1.561 10 0 CDAERP CC(C)C[C@H](C[NH2+]CC1CCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001444774270 965947498 /nfs/dbraw/zinc/94/74/98/965947498.db2.gz JMMFFEJPLRAUAA-HZPDHXFCSA-N 2 0 295.471 1.859 10 0 CDAERP C[C@@H](C[N@H+](C)CC1CCCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001445853929 966365853 /nfs/dbraw/zinc/36/58/53/966365853.db2.gz NSAYFJZSBFFHCM-AWEZNQCLSA-N 2 0 293.455 1.709 10 0 CDAERP CCc1nccn1[C@H](C)CC(=O)NC[C@H]1CC[N@@H+]1C(C)C ZINC001446025055 966422027 /nfs/dbraw/zinc/42/20/27/966422027.db2.gz FDDJKSXQJOXFNY-ZIAGYGMSSA-N 2 0 292.427 1.996 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)NC[C@H]1CC[N@@H+]1CC1CC1 ZINC001446066119 966435838 /nfs/dbraw/zinc/43/58/38/966435838.db2.gz XEVCWXVEJMPAEY-KGLIPLIRSA-N 2 0 285.407 1.267 10 0 CDAERP CCC(CC)C[NH+]1CC(N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001446411166 966538506 /nfs/dbraw/zinc/53/85/06/966538506.db2.gz BCCYLOUOMUAILC-UHFFFAOYSA-N 2 0 283.460 1.905 10 0 CDAERP CC(C)C[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001446560078 966585770 /nfs/dbraw/zinc/58/57/70/966585770.db2.gz LMVNDWNZTRKADL-ZBFHGGJFSA-N 2 0 281.444 1.565 10 0 CDAERP C[NH2+][C@H](C)CCN[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC001350955238 966809109 /nfs/dbraw/zinc/80/91/09/966809109.db2.gz IFGTVMXUOAQNSF-SNPRPXQTSA-N 2 0 253.434 1.742 10 0 CDAERP CCC(CC)C[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001447577533 966822219 /nfs/dbraw/zinc/82/22/19/966822219.db2.gz ZDPLNNXFCRONIS-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@@H]1[C@H]2C[NH+](C[C@H](F)CC)C[C@H]21 ZINC001448475759 967123041 /nfs/dbraw/zinc/12/30/41/967123041.db2.gz YFJLONAULWCWCZ-TUVASFSCSA-N 2 0 299.434 1.370 10 0 CDAERP CO[C@@H](C)C[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001449323280 967433385 /nfs/dbraw/zinc/43/33/85/967433385.db2.gz PESFMUBMMAPMSJ-STQMWFEESA-N 2 0 287.448 1.094 10 0 CDAERP C[C@H](NC(=O)C1(C[NH+](C)C)CC1)C1CC[NH+](CCF)CC1 ZINC001449376486 967448804 /nfs/dbraw/zinc/44/88/04/967448804.db2.gz VZWXFSXCZHFECU-ZDUSSCGKSA-N 2 0 299.434 1.514 10 0 CDAERP Cn1cc(CC[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)cn1 ZINC001354230442 968556782 /nfs/dbraw/zinc/55/67/82/968556782.db2.gz YAMPDDSONGKVGH-QWHCGFSZSA-N 2 0 250.390 1.458 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCCC[NH+]1CCOCC1 ZINC001354601351 968796533 /nfs/dbraw/zinc/79/65/33/968796533.db2.gz PGCBHEMGFAAWNW-HNNXBMFYSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)NCCc2nccn2C)C1 ZINC001471785492 970477236 /nfs/dbraw/zinc/47/72/36/970477236.db2.gz CTPRYMACYBCYAS-CYBMUJFWSA-N 2 0 278.400 1.199 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC2CCC2)C1 ZINC001371645394 972577875 /nfs/dbraw/zinc/57/78/75/972577875.db2.gz UFASMQCPQGTAKL-HUUCEWRRSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1coc(C)n1)[NH+](C)C ZINC001495692375 972597972 /nfs/dbraw/zinc/59/79/72/972597972.db2.gz VGZLHJVCDYFKQZ-BXUZGUMPSA-N 2 0 296.415 1.165 10 0 CDAERP C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1 ZINC001371878078 972667692 /nfs/dbraw/zinc/66/76/92/972667692.db2.gz JIMUVFRNFCACSG-HOCLYGCPSA-N 2 0 289.423 1.623 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001496078122 972788186 /nfs/dbraw/zinc/78/81/86/972788186.db2.gz GVZPLCRJIJQFAU-CQSZACIVSA-N 2 0 283.460 1.953 10 0 CDAERP CC[NH2+][C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C(C)C ZINC001496602924 972984552 /nfs/dbraw/zinc/98/45/52/972984552.db2.gz LJBMXVDIBDBWFP-STQMWFEESA-N 2 0 255.406 1.079 10 0 CDAERP CC(C)[NH2+][C@H](CNC(=O)COC1CC[NH+](C)CC1)C(C)C ZINC001496623846 972995408 /nfs/dbraw/zinc/99/54/08/972995408.db2.gz PIHAKBZUMRQUDF-OAHLLOKOSA-N 2 0 299.459 1.236 10 0 CDAERP CC(C)[C@H](C(=O)NC[C@H]1CC[N@H+](CCF)C1)[NH+]1CCCC1 ZINC001372677156 973079599 /nfs/dbraw/zinc/07/95/99/973079599.db2.gz CWTQQOQSXOOOGT-HUUCEWRRSA-N 2 0 299.434 1.514 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CC[N@@H+]2CC)CC1 ZINC001417626456 973211806 /nfs/dbraw/zinc/21/18/06/973211806.db2.gz RRDLPUNAAKXMDA-HNNXBMFYSA-N 2 0 281.444 1.661 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1CC[N@H+](CCCF)C1 ZINC001373592442 973509269 /nfs/dbraw/zinc/50/92/69/973509269.db2.gz KEYUEYWCGUMHPO-STQMWFEESA-N 2 0 291.386 1.216 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001497817936 973536685 /nfs/dbraw/zinc/53/66/85/973536685.db2.gz MQOUIYZZHCWNFM-JHJVBQTASA-N 2 0 255.406 1.077 10 0 CDAERP C[C@H](C[NH2+]C/C=C\Cl)NC(=O)C1([NH+](C)C)CCC1 ZINC001497828002 973541122 /nfs/dbraw/zinc/54/11/22/973541122.db2.gz RILLVFNHNPZPEL-UIJKISKDSA-N 2 0 273.808 1.318 10 0 CDAERP CC(C)OCCC[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001497900955 973568506 /nfs/dbraw/zinc/56/85/06/973568506.db2.gz WLEGFYDETDZVHH-CQSZACIVSA-N 2 0 299.459 1.238 10 0 CDAERP C[NH+](C)CCCC(=O)N1CCC[C@H]2C[N@H+](CCF)CC[C@@H]21 ZINC001418084040 973572564 /nfs/dbraw/zinc/57/25/64/973572564.db2.gz WEBDNYPIMVLWMH-GJZGRUSLSA-N 2 0 299.434 1.611 10 0 CDAERP CO[C@H](C)C[N@@H+]1CCC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001418140035 973605178 /nfs/dbraw/zinc/60/51/78/973605178.db2.gz TUCAVBRGLYSHKC-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC[C@@H](C)F ZINC001373818917 973655394 /nfs/dbraw/zinc/65/53/94/973655394.db2.gz AWRHFIBPRUQCRC-CHWSQXEVSA-N 2 0 285.407 1.315 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CC1CCC1 ZINC001418231806 973683204 /nfs/dbraw/zinc/68/32/04/973683204.db2.gz XTVSDEHWOUEXMB-DZGCQCFKSA-N 2 0 281.444 1.755 10 0 CDAERP CCCC[NH2+]C[C@@]1(C)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001569684174 1169965325 /nfs/dbraw/zinc/96/53/25/1169965325.db2.gz YEBDISHDDOZDRO-NVXWUHKLSA-N 2 0 295.471 1.957 10 0 CDAERP CCc1noc(C)c1C[NH2+][C@@H](C)CNC(=O)CC[NH+](C)C ZINC001418264624 973706206 /nfs/dbraw/zinc/70/62/06/973706206.db2.gz CUYGDHJRPDKKDK-NSHDSACASA-N 2 0 296.415 1.091 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001418347508 973758912 /nfs/dbraw/zinc/75/89/12/973758912.db2.gz XQNLTKFZRCYGCL-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP Cc1nc(C[NH2+][C@H](C)CCNC(=O)[C@@H]2CCC[N@@H+]2C)co1 ZINC001418393583 973794222 /nfs/dbraw/zinc/79/42/22/973794222.db2.gz JHAVCBIMJIVKQQ-RISCZKNCSA-N 2 0 294.399 1.062 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1cncc(F)c1)[NH+](C)C ZINC001374814865 974136687 /nfs/dbraw/zinc/13/66/87/974136687.db2.gz SXVGEDNCPCWRQV-RISCZKNCSA-N 2 0 296.390 1.155 10 0 CDAERP CC(C)[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001375348521 974345738 /nfs/dbraw/zinc/34/57/38/974345738.db2.gz KNTFHOPPAGEXSY-CABCVRRESA-N 2 0 281.444 1.850 10 0 CDAERP CN(C[C@@H]1CC[N@@H+]1C[C@@H]1CCCCO1)C(=O)CC[NH+](C)C ZINC001375463701 974392244 /nfs/dbraw/zinc/39/22/44/974392244.db2.gz AQXZQGAELIMHCV-GJZGRUSLSA-N 2 0 297.443 1.040 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001375765489 974473119 /nfs/dbraw/zinc/47/31/19/974473119.db2.gz RUKLPOLQHFCNFJ-JYJNAYRXSA-N 2 0 295.471 1.953 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@@]2(C)CC[NH+](CCCF)C2)C1 ZINC001375844328 974494701 /nfs/dbraw/zinc/49/47/01/974494701.db2.gz BNTGUFYDPNCVFA-ZFWWWQNUSA-N 2 0 285.407 1.268 10 0 CDAERP CC(C)[N@@H+]1CCC[C@](C)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001375954593 974523109 /nfs/dbraw/zinc/52/31/09/974523109.db2.gz CHFILRICAWJGCD-DOTOQJQBSA-N 2 0 295.471 1.955 10 0 CDAERP COCC[N@@H+]1CCC[C@@](C)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001375963433 974524352 /nfs/dbraw/zinc/52/43/52/974524352.db2.gz WKOQRJIZGNLMDP-INIZCTEOSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)C[NH2+][C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001376227214 974609854 /nfs/dbraw/zinc/60/98/54/974609854.db2.gz XZZISUNEGJTTHO-CVEARBPZSA-N 2 0 293.455 1.469 10 0 CDAERP CO[C@@H](C)C[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)CC1 ZINC001502147532 974707440 /nfs/dbraw/zinc/70/74/40/974707440.db2.gz KVYZGPXERWXKLT-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NCC[C@@H](C)[NH2+]C[C@H]1CCCCO1 ZINC001377112796 974889113 /nfs/dbraw/zinc/88/91/13/974889113.db2.gz RCAGKYZMTBTCEW-HUUCEWRRSA-N 2 0 299.459 1.380 10 0 CDAERP CC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)CC1CCC1 ZINC001377360790 974986543 /nfs/dbraw/zinc/98/65/43/974986543.db2.gz MXRGSCBORIQUOW-UHFFFAOYSA-N 2 0 279.428 1.320 10 0 CDAERP CCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001505986150 975072771 /nfs/dbraw/zinc/07/27/71/975072771.db2.gz QRZBBPSAVVEBHT-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H]([NH2+]CCF)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001377616891 975088256 /nfs/dbraw/zinc/08/82/56/975088256.db2.gz POKXROHBJQMSFI-GFCCVEGCSA-N 2 0 273.396 1.124 10 0 CDAERP CCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@H+](CC)C1 ZINC001377650728 975101322 /nfs/dbraw/zinc/10/13/22/975101322.db2.gz GMKWOWAGCBFXMA-QLFBSQMISA-N 2 0 281.444 1.659 10 0 CDAERP CCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001377671387 975106628 /nfs/dbraw/zinc/10/66/28/975106628.db2.gz CKAHEXFGLPSXTG-CVEARBPZSA-N 2 0 295.471 1.909 10 0 CDAERP CC(C)C[NH2+][C@H](C)[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001377872540 975162593 /nfs/dbraw/zinc/16/25/93/975162593.db2.gz MHTQIKQANMRBSU-KGLIPLIRSA-N 2 0 299.459 1.236 10 0 CDAERP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)[NH2+]CCC1CC1 ZINC001377884213 975165355 /nfs/dbraw/zinc/16/53/55/975165355.db2.gz OUXBVLZFFROGGF-QWHCGFSZSA-N 2 0 279.428 1.365 10 0 CDAERP CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001506828608 975229925 /nfs/dbraw/zinc/22/99/25/975229925.db2.gz HTTXMPNHPIKWIK-ZSOGYDGISA-N 2 0 267.417 1.031 10 0 CDAERP CC[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CCC(C)C ZINC001378299312 975317868 /nfs/dbraw/zinc/31/78/68/975317868.db2.gz HTVRWXKAYVCQKJ-OAHLLOKOSA-N 2 0 283.460 1.859 10 0 CDAERP CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]C/C=C\Cl ZINC001378323648 975329438 /nfs/dbraw/zinc/32/94/38/975329438.db2.gz XOBBJWPUVZWKHD-RYBZSIHZSA-N 2 0 285.819 1.319 10 0 CDAERP CCCC[NH2+][C@H](C)CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001507149801 975354421 /nfs/dbraw/zinc/35/44/21/975354421.db2.gz RLVNTSQVOFCNHS-CHWSQXEVSA-N 2 0 257.422 1.563 10 0 CDAERP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]Cc1ccccn1 ZINC001507154009 975356385 /nfs/dbraw/zinc/35/63/85/975356385.db2.gz LRUDHTHZLKLVSX-CQSZACIVSA-N 2 0 290.411 1.114 10 0 CDAERP Cc1cc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)CC[NH+](C)C)C2)on1 ZINC001507318601 975413901 /nfs/dbraw/zinc/41/39/01/975413901.db2.gz IZKMJNYZLPSQJN-CHWSQXEVSA-N 2 0 294.399 1.014 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@]12CCC[C@@H]1[NH+](CCCF)CC2 ZINC001507351802 975427134 /nfs/dbraw/zinc/42/71/34/975427134.db2.gz ICPGHHAMTIACLM-GOEBONIOSA-N 2 0 299.434 1.801 10 0 CDAERP COC[C@H](C)[N@H+](C)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001404624335 975441319 /nfs/dbraw/zinc/44/13/19/975441319.db2.gz YGMNIZCJSGGIQZ-AWEZNQCLSA-N 2 0 299.459 1.143 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]([NH2+]CCCF)C(C)(C)C2)C1 ZINC001507445900 975472668 /nfs/dbraw/zinc/47/26/68/975472668.db2.gz LCQPXUBXNKIMNC-ZIAGYGMSSA-N 2 0 299.434 1.514 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]CCCF)C2)CC[N@@H+]1C ZINC001508107134 975611720 /nfs/dbraw/zinc/61/17/20/975611720.db2.gz DUJYZIJJXAEWLV-PFSRBDOWSA-N 2 0 299.434 1.655 10 0 CDAERP CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC([NH2+]CCF)C1 ZINC001508116051 975615488 /nfs/dbraw/zinc/61/54/88/975615488.db2.gz VMKZYSMDYIEBRI-MOKVOYLWSA-N 2 0 285.407 1.409 10 0 CDAERP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccns1 ZINC001405292001 975708367 /nfs/dbraw/zinc/70/83/67/975708367.db2.gz UKFAMYPBRZYNKC-NSHDSACASA-N 2 0 284.429 1.079 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC2(CC[N@H+](CCF)C2)CC1 ZINC001405635096 975793781 /nfs/dbraw/zinc/79/37/81/975793781.db2.gz VJRGLZFLMIUIQX-UHFFFAOYSA-N 2 0 285.407 1.222 10 0 CDAERP CC(C)[NH2+]C[C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001405671497 975813546 /nfs/dbraw/zinc/81/35/46/975813546.db2.gz SDMOFSZXUJQBPF-CQSZACIVSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccccc1F)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001401724184 975831796 /nfs/dbraw/zinc/83/17/96/975831796.db2.gz WXHLJWSRJZFSAT-JSGCOSHPSA-N 2 0 293.386 1.372 10 0 CDAERP CCC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001389598975 975925496 /nfs/dbraw/zinc/92/54/96/975925496.db2.gz AQDRSBRLBRWQLA-CABCVRRESA-N 2 0 281.444 1.754 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H](C[NH2+]CC1CC1)C1CC1 ZINC001379863970 976107674 /nfs/dbraw/zinc/10/76/74/976107674.db2.gz BTCNKJDUTQJLBQ-HZPDHXFCSA-N 2 0 293.455 1.755 10 0 CDAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]C/C=C\Cl ZINC001398912684 976236460 /nfs/dbraw/zinc/23/64/60/976236460.db2.gz CUCOKYPEHDAHIG-WFMXKNRHSA-N 2 0 287.835 1.706 10 0 CDAERP Cc1ccccc1C[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001390524230 976350640 /nfs/dbraw/zinc/35/06/40/976350640.db2.gz WPSVRWPBROYILF-HOCLYGCPSA-N 2 0 289.423 1.541 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001399186368 976377009 /nfs/dbraw/zinc/37/70/09/976377009.db2.gz KCSDDHIZQGFCOF-STQMWFEESA-N 2 0 285.407 1.267 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]2C[NH+](CCF)CC[C@H]21 ZINC001402588262 976379030 /nfs/dbraw/zinc/37/90/30/976379030.db2.gz UHHXJWHZTCGYDA-HUUCEWRRSA-N 2 0 299.434 1.609 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@]1(C)CC[NH+](CCC2CC2)C1 ZINC001380376871 976393830 /nfs/dbraw/zinc/39/38/30/976393830.db2.gz HREWQQFLGGHFOS-INIZCTEOSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CCO)C1)[NH+](CC)CC ZINC001390622888 976394367 /nfs/dbraw/zinc/39/43/67/976394367.db2.gz KSIKGLWQMVOQQT-CABCVRRESA-N 2 0 299.459 1.022 10 0 CDAERP CCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001390625627 976398259 /nfs/dbraw/zinc/39/82/59/976398259.db2.gz SPIZMHCHPGUHBR-CABCVRRESA-N 2 0 297.443 1.040 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001406815695 976417507 /nfs/dbraw/zinc/41/75/07/976417507.db2.gz KEYFCYGNRXTONI-LSDHHAIUSA-N 2 0 281.444 1.707 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CC(C)C)C1 ZINC001380691975 976518789 /nfs/dbraw/zinc/51/87/89/976518789.db2.gz SFBHTUQPODSYQI-CABCVRRESA-N 2 0 283.460 1.668 10 0 CDAERP CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)CC ZINC001380759003 976538352 /nfs/dbraw/zinc/53/83/52/976538352.db2.gz RZAWGCSIFOIAHG-GJZGRUSLSA-N 2 0 281.444 1.804 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+](C[C@H](C)CC)C1 ZINC001391114200 976698255 /nfs/dbraw/zinc/69/82/55/976698255.db2.gz SMYJABMDMQFTJP-CABCVRRESA-N 2 0 283.460 1.812 10 0 CDAERP CC[C@@H](F)C[NH2+]CC1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001381334860 976763562 /nfs/dbraw/zinc/76/35/62/976763562.db2.gz ILQGPNHZPYVEEX-ROKHWSDSSA-N 2 0 285.407 1.315 10 0 CDAERP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C(C)C ZINC001399971374 976783988 /nfs/dbraw/zinc/78/39/88/976783988.db2.gz QZWFCFSNKJIDRB-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001403193595 976804558 /nfs/dbraw/zinc/80/45/58/976804558.db2.gz CYOWQRNOXZVGIO-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cncs1 ZINC001403528406 977029728 /nfs/dbraw/zinc/02/97/28/977029728.db2.gz PZICNTKAUUTTRY-AAEUAGOBSA-N 2 0 296.440 1.174 10 0 CDAERP CCC[NH2+][C@H](C)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001403568362 977073264 /nfs/dbraw/zinc/07/32/64/977073264.db2.gz KYUIRUNPDVGICO-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP Cc1ncc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CCC[N@@H+]2C)o1 ZINC001382113732 977169160 /nfs/dbraw/zinc/16/91/60/977169160.db2.gz BMJQHZBSNFPLBA-SMDDNHRTSA-N 2 0 294.399 1.014 10 0 CDAERP C[C@H]1C[C@H]([NH2+]Cc2ccsc2)CN1C(=O)CC[NH+](C)C ZINC001403756305 977176275 /nfs/dbraw/zinc/17/62/75/977176275.db2.gz WWFZGVOJJULHOE-JSGCOSHPSA-N 2 0 295.452 1.779 10 0 CDAERP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ncc(C)s1 ZINC001400850330 977224097 /nfs/dbraw/zinc/22/40/97/977224097.db2.gz KGNBOVBSADRVSK-GFCCVEGCSA-N 2 0 298.456 1.388 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CCC[NH+]2C/C=C\Cl)C1 ZINC001404028436 977312025 /nfs/dbraw/zinc/31/20/25/977312025.db2.gz VNEPZNNRXFUELD-CRHJNNSXSA-N 2 0 299.846 1.661 10 0 CDAERP CC(C)[C@H](C(=O)N(C)C1CC([NH2+]CCC2CC2)C1)[NH+](C)C ZINC001382586931 977313174 /nfs/dbraw/zinc/31/31/74/977313174.db2.gz AKEZMPTYECPELF-UYSNPLJNSA-N 2 0 295.471 1.952 10 0 CDAERP CCC[N@H+](CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C1CC1 ZINC001404300397 977403395 /nfs/dbraw/zinc/40/33/95/977403395.db2.gz TWSORWUDXJXOIM-KBPBESRZSA-N 2 0 281.444 1.850 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1ccsc1 ZINC001392537778 977474322 /nfs/dbraw/zinc/47/43/22/977474322.db2.gz RICFRVVYQMLHEK-GFCCVEGCSA-N 2 0 283.441 1.683 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001393642131 977879044 /nfs/dbraw/zinc/87/90/44/977879044.db2.gz DCVWDNOPGCZYOL-OAHLLOKOSA-N 2 0 283.460 1.909 10 0 CDAERP CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C(C)(C)C1 ZINC001394313055 978132318 /nfs/dbraw/zinc/13/23/18/978132318.db2.gz TTYZCHYYUPUHTF-ZIAGYGMSSA-N 2 0 283.460 1.953 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCF)C[C@H]2C1 ZINC001394351042 978138438 /nfs/dbraw/zinc/13/84/38/978138438.db2.gz QJDMONYWIOCVAO-RBSFLKMASA-N 2 0 299.434 1.514 10 0 CDAERP Cc1ncc(C[NH2+][C@@H](C)CN(C)C(=O)CCC[NH+](C)C)o1 ZINC001394531295 978194374 /nfs/dbraw/zinc/19/43/74/978194374.db2.gz YXRQVJKGJZQKIV-LBPRGKRZSA-N 2 0 296.415 1.261 10 0 CDAERP CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccccc1)[NH+](C)C ZINC001394538197 978196125 /nfs/dbraw/zinc/19/61/25/978196125.db2.gz LOOXDABPAVZJSP-GOEBONIOSA-N 2 0 291.439 1.963 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@@]12CCC[C@@H]1[NH+](CC)CC2 ZINC001394696815 978233624 /nfs/dbraw/zinc/23/36/24/978233624.db2.gz ZIDLFBNFLLJYSL-GOEBONIOSA-N 2 0 281.444 1.851 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C)C1CC[NH+](C(C)C)CC1)[NH+](C)C ZINC001394846033 978282447 /nfs/dbraw/zinc/28/24/47/978282447.db2.gz UXHPZRMZTAXXRR-ZFWWWQNUSA-N 2 0 283.460 1.952 10 0 CDAERP C[C@@H](O)C[N@H+](C)C[C@@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001674496321 1173953927 /nfs/dbraw/zinc/95/39/27/1173953927.db2.gz WBDVIBGAWIJSMA-CABCVRRESA-N 2 0 299.459 1.022 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)NC1CC(C[NH2+]C/C=C\Cl)C1 ZINC001674554990 1173962775 /nfs/dbraw/zinc/96/27/75/1173962775.db2.gz WRHGBHCIROHDOM-MTZABIFJSA-N 2 0 299.846 1.708 10 0 CDAERP Cc1nccn1CCNC(=O)C1([NH+](C)C)CCCC1 ZINC001598387177 1174314719 /nfs/dbraw/zinc/31/47/19/1174314719.db2.gz CGWRTPPJMGJWDY-UHFFFAOYSA-N 2 0 264.373 1.182 10 0 CDAERP CC[C@@H](C)C[NH2+]CC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001570000023 1170057316 /nfs/dbraw/zinc/05/73/16/1170057316.db2.gz HAKAPWUPZAMNGZ-HUUCEWRRSA-N 2 0 283.460 1.812 10 0 CDAERP CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001571157255 1170341384 /nfs/dbraw/zinc/34/13/84/1170341384.db2.gz KFWGOENVTLUHNO-IHRRRGAJSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)CCO1 ZINC001656310893 1171808866 /nfs/dbraw/zinc/80/88/66/1171808866.db2.gz CACPCLOBBHODLW-TUVASFSCSA-N 2 0 252.402 1.685 10 0 CDAERP C[C@H]([NH2+]CCC1(C[NH3+])CC1)C(C)(C)n1cncn1 ZINC000650746899 398173773 /nfs/dbraw/zinc/17/37/73/398173773.db2.gz NFYAPYMLOXROGI-NSHDSACASA-N 2 0 251.378 1.120 10 0 CDAERP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000650755617 398180219 /nfs/dbraw/zinc/18/02/19/398180219.db2.gz IZUYASRHXIEXGX-AWEZNQCLSA-N 2 0 275.396 1.553 10 0 CDAERP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H]1CCCc2c1ccc(=O)n2C ZINC000650725247 398164975 /nfs/dbraw/zinc/16/49/75/398164975.db2.gz WYZPUBJEZMIYQP-IPYPFGDCSA-N 2 0 289.423 1.883 10 0 CDAERP C[NH+](C)[C@H]1CCC[N@H+](CCOC2CCOCC2)CC1 ZINC000625371351 342093793 /nfs/dbraw/zinc/09/37/93/342093793.db2.gz MCLGIWXCQJJLKL-AWEZNQCLSA-N 2 0 270.417 1.598 10 0 CDAERP CC(C)[NH+]1CCC([NH+]2CCC(C(=O)N(C)C)CC2)CC1 ZINC000096087189 185094109 /nfs/dbraw/zinc/09/41/09/185094109.db2.gz QMXXRLGHRBWVCD-UHFFFAOYSA-N 2 0 281.444 1.659 10 0 CDAERP [NH3+]C[C@@H]1C[NH2+]C[C@@H]1c1ccccc1Br ZINC000096884145 185120177 /nfs/dbraw/zinc/12/01/77/185120177.db2.gz ZRSIULKZJVGMDI-SCZZXKLOSA-N 2 0 255.159 1.711 10 0 CDAERP [NH3+]C1(C[NH2+]Cc2ccc(-n3ccnc3)cc2)CCOCC1 ZINC000629389194 361894030 /nfs/dbraw/zinc/89/40/30/361894030.db2.gz ZFOYOCYOBAWPTD-UHFFFAOYSA-N 2 0 286.379 1.470 10 0 CDAERP CC(C)[C@@H]1C[C@H]([NH2+]CC2([NH3+])CCOCC2)CCO1 ZINC000629389242 361894365 /nfs/dbraw/zinc/89/43/65/361894365.db2.gz XBKKYGTVWWUCDZ-OLZOCXBDSA-N 2 0 256.390 1.288 10 0 CDAERP CSCC[C@@H]([NH3+])C(=O)NCCC[N@H+](C)CC(C)C ZINC000593912676 342856223 /nfs/dbraw/zinc/85/62/23/342856223.db2.gz OPLXQKMYVZFHKU-GFCCVEGCSA-N 2 0 275.462 1.161 10 0 CDAERP CCN1CCC[C@@H]([NH2+][C@H](C)C2CC[NH+](C)CC2)C1 ZINC000250385718 539071158 /nfs/dbraw/zinc/07/11/58/539071158.db2.gz XMHXZWYXFSDEGR-UKRRQHHQSA-N 2 0 253.434 1.791 10 0 CDAERP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)C1CC[NH+](C)CC1 ZINC000151345258 539073663 /nfs/dbraw/zinc/07/36/63/539073663.db2.gz UFNHJILMMMUQQE-GOEBONIOSA-N 3 0 283.460 1.153 10 0 CDAERP NC(=O)C1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000156007633 539098414 /nfs/dbraw/zinc/09/84/14/539098414.db2.gz OUNOUJZMZLXQOI-HOAMVYINSA-N 2 0 265.401 1.247 10 0 CDAERP COC(=O)[C@@H](C[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000211976703 539162069 /nfs/dbraw/zinc/16/20/69/539162069.db2.gz CPLMYTZDJFGYDP-KGLIPLIRSA-N 2 0 262.353 1.256 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000594926606 342973609 /nfs/dbraw/zinc/97/36/09/342973609.db2.gz UJXFKDYQMRAWAD-XJFOESAGSA-N 2 0 268.401 1.506 10 0 CDAERP CC[C@@H]1C[C@@H]([NH2+]CC2(SC)CC[NH+](C)CC2)CO1 ZINC000594945454 342980304 /nfs/dbraw/zinc/98/03/04/342980304.db2.gz VNJYRYXIDOWRBD-CHWSQXEVSA-N 2 0 272.458 1.971 10 0 CDAERP CCC[NH+]1CCC([NH2+][C@H](C)[C@H]2C[C@H]2C(=O)OC)CC1 ZINC000594920214 342986738 /nfs/dbraw/zinc/98/67/38/342986738.db2.gz SXPDJQHUWQNIEL-MRVWCRGKSA-N 2 0 268.401 1.648 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000594925194 342989080 /nfs/dbraw/zinc/98/90/80/342989080.db2.gz MLTGVTWAANHNFZ-QSLWVIQJSA-N 2 0 266.385 1.400 10 0 CDAERP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000595000385 342994889 /nfs/dbraw/zinc/99/48/89/342994889.db2.gz GTVUHHFBZFPUPM-VBNZEHGJSA-N 2 0 294.439 1.896 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000623689743 349759306 /nfs/dbraw/zinc/75/93/06/349759306.db2.gz VNLOFPITIZCLPO-HNNXBMFYSA-N 2 0 296.459 1.502 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000645107083 362121087 /nfs/dbraw/zinc/12/10/87/362121087.db2.gz LRULQWUQJOXSGO-CBBWQLFWSA-N 2 0 279.428 1.365 10 0 CDAERP CCOC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595901254 343187277 /nfs/dbraw/zinc/18/72/77/343187277.db2.gz UAAHYNULZLDBRE-GXTWGEPZSA-N 2 0 268.401 1.650 10 0 CDAERP O=C(CC[C@@H]1CCC[NH2+]1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645106767 362119427 /nfs/dbraw/zinc/11/94/27/362119427.db2.gz IFTBLDLJFSAIIX-KKUMJFAQSA-N 2 0 279.428 1.509 10 0 CDAERP COCC[C@@H]1CCC[C@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000629522284 362141936 /nfs/dbraw/zinc/14/19/36/362141936.db2.gz ZECUKBPHNXWKAK-QWHCGFSZSA-N 2 0 256.390 1.289 10 0 CDAERP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]CC2([NH3+])CCOCC2)C1 ZINC000629521043 362135449 /nfs/dbraw/zinc/13/54/49/362135449.db2.gz OAFAXKNXQLJIGV-KGLIPLIRSA-N 2 0 292.427 1.544 10 0 CDAERP CC1(C)[C@H]([NH2+]CC2([NH3+])CCOCC2)[C@H]2CCCO[C@H]21 ZINC000629523488 362140028 /nfs/dbraw/zinc/14/00/28/362140028.db2.gz HPBKJJJFGLTEFG-JHJVBQTASA-N 2 0 268.401 1.288 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000629530738 362158926 /nfs/dbraw/zinc/15/89/26/362158926.db2.gz PNZWZQWFJLQTRC-GDBMZVCRSA-N 2 0 277.412 1.933 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)c2ccccc2CC[NH3+])CC[N@@H+]1C ZINC000157822270 342440744 /nfs/dbraw/zinc/44/07/44/342440744.db2.gz GKWCBXQDRMMGMB-OCCSQVGLSA-N 2 0 275.396 1.400 10 0 CDAERP CCC[NH2+]CCCNCCC[NH2+]CCC[NH2+]CCC ZINC000034524397 342445903 /nfs/dbraw/zinc/44/59/03/342445903.db2.gz KFWJPACCVLRJNV-UHFFFAOYSA-N 3 0 272.481 1.335 10 0 CDAERP Cc1nn(C)c(C)c1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000375783072 282261696 /nfs/dbraw/zinc/26/16/96/282261696.db2.gz PXDDAWAAHKKNGY-NUEKZKHPSA-N 2 0 276.428 1.999 10 0 CDAERP CS[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C[C@@H]1[NH+](C)C ZINC000602131336 344356700 /nfs/dbraw/zinc/35/67/00/344356700.db2.gz MFNBLWFFONZETK-VCDKRKBESA-N 2 0 294.424 1.017 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000257704681 344382216 /nfs/dbraw/zinc/38/22/16/344382216.db2.gz PDOKAKIDKFKPNJ-STQMWFEESA-N 2 0 253.390 1.119 10 0 CDAERP COC[C@H](C)C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000575106176 362402541 /nfs/dbraw/zinc/40/25/41/362402541.db2.gz DSRUFDIVPDORHK-SNPRPXQTSA-N 2 0 270.417 1.487 10 0 CDAERP C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1(C)CCCC1 ZINC000489825870 282353717 /nfs/dbraw/zinc/35/37/17/282353717.db2.gz DAZWOOZFUPVTOO-UHFFFAOYSA-N 2 0 293.455 1.994 10 0 CDAERP CC[NH+](CC)CCCNC(=O)CC1([NH3+])CCCCC1 ZINC000084162803 178810819 /nfs/dbraw/zinc/81/08/19/178810819.db2.gz OBYVXKKFKBTSJW-UHFFFAOYSA-N 2 0 269.433 1.886 10 0 CDAERP C[N@H+](CC(=O)N1CC[NH+](C)[C@H](C(C)(C)C)C1)C1CCC1 ZINC000640612768 362521225 /nfs/dbraw/zinc/52/12/25/362521225.db2.gz PKZFVRGMBCAUOJ-AWEZNQCLSA-N 2 0 281.444 1.659 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)[C@]1(C)CCC[NH2+]1)c1cccs1 ZINC000079519651 362662161 /nfs/dbraw/zinc/66/21/61/362662161.db2.gz RIYWBLHJBPHXLX-FZMZJTMJSA-N 2 0 281.425 1.609 10 0 CDAERP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC000553461122 290120610 /nfs/dbraw/zinc/12/06/10/290120610.db2.gz IJOMIVSPFZVFBP-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP COCC1CC[NH+](CCCC[C@](C)([NH3+])CO)CC1 ZINC000085211812 178974099 /nfs/dbraw/zinc/97/40/99/178974099.db2.gz QXHNLAPQUSHNPO-AWEZNQCLSA-N 2 0 258.406 1.225 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)COCC2CC2)CC1(C)C ZINC000623387099 346120859 /nfs/dbraw/zinc/12/08/59/346120859.db2.gz JXJJVNRYQPIISE-KGLIPLIRSA-N 2 0 270.417 1.236 10 0 CDAERP Cn1cc(CCC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cn1 ZINC000623396027 346153560 /nfs/dbraw/zinc/15/35/60/346153560.db2.gz GSHCAJIELQVZJI-CQSZACIVSA-N 2 0 264.417 1.815 10 0 CDAERP [NH3+][C@H]1CCCC[C@H]1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000085364022 179035280 /nfs/dbraw/zinc/03/52/80/179035280.db2.gz JBPRQVFGDQZSKE-KGLIPLIRSA-N 2 0 265.401 1.247 10 0 CDAERP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000085364047 179035398 /nfs/dbraw/zinc/03/53/98/179035398.db2.gz NTGPGTQLKABBEZ-KBPBESRZSA-N 2 0 261.369 1.814 10 0 CDAERP OCCOCC[N@@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403693 179053185 /nfs/dbraw/zinc/05/31/85/179053185.db2.gz FBVYEWJPAZARSN-OAHLLOKOSA-N 2 0 270.417 1.240 10 0 CDAERP Cc1cc(Br)ccc1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000263299908 362726437 /nfs/dbraw/zinc/72/64/37/362726437.db2.gz WXTRUARKFGMNOX-AAEUAGOBSA-N 2 0 299.212 1.427 10 0 CDAERP CN1CC[C@H]([NH2+][C@@H]2CCCS(=O)(=O)C2)CC1(C)C ZINC000623423806 346470799 /nfs/dbraw/zinc/47/07/99/346470799.db2.gz RXUWPCNELIEGBP-NWDGAFQWSA-N 2 0 274.430 1.026 10 0 CDAERP C[NH+](C)CCn1c2c(nc1-c1ccccc1)C[NH2+]CC2 ZINC000085605839 179100248 /nfs/dbraw/zinc/10/02/48/179100248.db2.gz IXGBZZVFXIAQMZ-UHFFFAOYSA-N 2 0 270.380 1.757 10 0 CDAERP C[NH+](C)[C@@]1(CN[C@H]2CC[N@H+](C)C(C)(C)C2)CCSC1 ZINC000623439828 346758274 /nfs/dbraw/zinc/75/82/74/346758274.db2.gz ZKUMJYIKGCIQLE-DZGCQCFKSA-N 2 0 285.501 1.886 10 0 CDAERP Cc1nc(C[NH2+]CC2CC[NH+](CCO)CC2)oc1C ZINC000075602808 346760751 /nfs/dbraw/zinc/76/07/51/346760751.db2.gz DAQUWGYHXWKXSU-UHFFFAOYSA-N 2 0 267.373 1.085 10 0 CDAERP CC(C)[NH+]1CCC(O)(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623449204 346766033 /nfs/dbraw/zinc/76/60/33/346766033.db2.gz MREQPHSELQKLSN-HNNXBMFYSA-N 2 0 297.487 1.684 10 0 CDAERP C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1=O ZINC000623435756 346738298 /nfs/dbraw/zinc/73/82/98/346738298.db2.gz RSQVYANMNYKMKU-RFGFWPKPSA-N 2 0 279.428 1.458 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)C1CC[NH+](C)CC1 ZINC000085968838 179206712 /nfs/dbraw/zinc/20/67/12/179206712.db2.gz MNDQZMPJAMLEGL-QEJZJMRPSA-N 2 0 254.418 1.857 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N[C@]2(C)CC[NH2+]C2)CC1 ZINC000612874709 347311984 /nfs/dbraw/zinc/31/19/84/347311984.db2.gz HIUUYTJKTZNFNB-OAHLLOKOSA-N 2 0 282.432 1.160 10 0 CDAERP C[N@@H+]1CCC[C@@H](CN2CC[NH2+][C@H](C(C)(C)C)C2)C1 ZINC000086145768 179239068 /nfs/dbraw/zinc/23/90/68/179239068.db2.gz MKXCSGRBCBRDPS-KGLIPLIRSA-N 2 0 253.434 1.648 10 0 CDAERP CCC1(CC)CN(C2CC[NH+](C)CC2)[C@@H](C)C[NH2+]1 ZINC000086217836 179249412 /nfs/dbraw/zinc/24/94/12/179249412.db2.gz NCYVKQZCZRSENV-ZDUSSCGKSA-N 2 0 253.434 1.933 10 0 CDAERP C[C@H]1C[NH2+]C2(CCCC2)CN1C1CC[NH+](C)CC1 ZINC000086217856 179249797 /nfs/dbraw/zinc/24/97/97/179249797.db2.gz ZTUJGXDJJTVXMI-ZDUSSCGKSA-N 2 0 251.418 1.687 10 0 CDAERP CC[N@@H+]1CCC[C@H](N2C[C@H](C3CC3)[NH2+]C[C@@H]2C)C1 ZINC000086225434 179253620 /nfs/dbraw/zinc/25/36/20/179253620.db2.gz NXYWWALQJABGSW-AEGPPILISA-N 2 0 251.418 1.543 10 0 CDAERP CCC[NH+]1CCC(N2C[C@H](CC)[NH2+]C[C@@H]2C)CC1 ZINC000086227290 179254063 /nfs/dbraw/zinc/25/40/63/179254063.db2.gz VMYDXHXROQOPKM-KBPBESRZSA-N 2 0 253.434 1.933 10 0 CDAERP C[N@@H+]1CC[C@@H](N[C@H]2CCC[NH+](CCCO)C2)CC1(C)C ZINC000623535748 347619818 /nfs/dbraw/zinc/61/98/18/347619818.db2.gz DPPMVNRSALEYRM-CABCVRRESA-N 2 0 283.460 1.296 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)CCC(=O)N2)CC1(C)C ZINC000623543912 347624990 /nfs/dbraw/zinc/62/49/90/347624990.db2.gz COYPOHORACLTQY-FZMZJTMJSA-N 2 0 253.390 1.118 10 0 CDAERP [NH3+]C/C=C/CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000641862443 365946744 /nfs/dbraw/zinc/94/67/44/365946744.db2.gz OGKSUBTYFBRERH-BAABZTOOSA-N 2 0 280.416 1.161 10 0 CDAERP C[N@@H+]1CC[C@H](NCCC[NH2+]C2CC2)[C@@H]2CCC[C@@H]21 ZINC000423574453 290217318 /nfs/dbraw/zinc/21/73/18/290217318.db2.gz ZVVAGXPCAOSAGL-KKUMJFAQSA-N 2 0 251.418 1.591 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)[C@@H]2CCC[C@H]21 ZINC000353627175 290220444 /nfs/dbraw/zinc/22/04/44/290220444.db2.gz ZETJFORVYLTTEJ-YFKTTZPYSA-N 2 0 280.334 1.762 10 0 CDAERP C[NH2+][C@H](CN(C)CC[NH+](C)C)c1cccc(OC)c1 ZINC000104200787 185927421 /nfs/dbraw/zinc/92/74/21/185927421.db2.gz UPYYZEPZYHYZCC-OAHLLOKOSA-N 2 0 265.401 1.449 10 0 CDAERP C/C=C/CNC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000623639165 348721690 /nfs/dbraw/zinc/72/16/90/348721690.db2.gz CFMGMITWMVNLLC-ITDFMYJTSA-N 2 0 280.416 1.030 10 0 CDAERP O=C(CC[C@@H]1CCC[NH2+]1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000336109484 362931072 /nfs/dbraw/zinc/93/10/72/362931072.db2.gz HVQVKXZRAOGGON-DZGCQCFKSA-N 2 0 265.401 1.121 10 0 CDAERP C[C@@H]([NH2+]CCOCCC[NH3+])c1cc(F)cc(F)c1 ZINC000629536593 362950589 /nfs/dbraw/zinc/95/05/89/362950589.db2.gz GZJCUBBGPCYWNR-SNVBAGLBSA-N 2 0 258.312 1.981 10 0 CDAERP C[C@@H]1CC[C@H](N[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)C[NH2+]1 ZINC000629538498 362955280 /nfs/dbraw/zinc/95/52/80/362955280.db2.gz KGVFPLPNPOIUID-GZBLMMOJSA-N 2 0 251.418 1.589 10 0 CDAERP CC(C)O[C@H]1C[C@@H]([NH2+]CCOCCC[NH3+])C1(C)C ZINC000629535449 362960627 /nfs/dbraw/zinc/96/06/27/362960627.db2.gz DCFFPRDKSIJSNC-OLZOCXBDSA-N 2 0 258.406 1.534 10 0 CDAERP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000333295436 362970161 /nfs/dbraw/zinc/97/01/61/362970161.db2.gz PHRFEXPNFGURFF-XGFWRYKXSA-N 2 0 267.417 1.206 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621666207 350702335 /nfs/dbraw/zinc/70/23/35/350702335.db2.gz MDFCKBXCLCYUTN-CQSZACIVSA-N 2 0 289.423 1.802 10 0 CDAERP O=C(CC[C@@H]1CCC[NH2+]C1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000621645808 350689254 /nfs/dbraw/zinc/68/92/54/350689254.db2.gz MKIRXFXELIINKA-ZDUSSCGKSA-N 2 0 299.378 1.986 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)CC[C@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000621651300 350689782 /nfs/dbraw/zinc/68/97/82/350689782.db2.gz JWGOUIREOGJKTR-OAGGEKHMSA-N 2 0 295.471 1.955 10 0 CDAERP CCn1nccc1CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000621775564 350772362 /nfs/dbraw/zinc/77/23/62/350772362.db2.gz RXTUDGKCPDWWLZ-NNQSOWQGSA-N 2 0 262.401 1.660 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000629566230 363012748 /nfs/dbraw/zinc/01/27/48/363012748.db2.gz IJUUZUQYGUBUJV-RBSFLKMASA-N 2 0 299.459 1.238 10 0 CDAERP CC(C)C[C@H](CN(C)C)[NH2+]CCCc1cnn(C)c1 ZINC000314241369 366038254 /nfs/dbraw/zinc/03/82/54/366038254.db2.gz YEMQZORURHCCED-OAHLLOKOSA-N 2 0 266.433 1.919 10 0 CDAERP C[NH+](C)[C@H]1CCCN(C(=O)COC2CCC([NH3+])CC2)CC1 ZINC000569808807 363095269 /nfs/dbraw/zinc/09/52/69/363095269.db2.gz NPIBBUJADZQSQF-SLTAFYQDSA-N 2 0 297.443 1.216 10 0 CDAERP C[C@@H](COCc1ccccc1)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000390647006 363143271 /nfs/dbraw/zinc/14/32/71/363143271.db2.gz QZLIEMGDHPTBTD-RDJZCZTQSA-N 2 0 292.423 1.638 10 0 CDAERP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CC2=CCCOC2)C1 ZINC000629650345 363250795 /nfs/dbraw/zinc/25/07/95/363250795.db2.gz RYBDESJOJNMHFE-PMPSAXMXSA-N 2 0 280.412 1.694 10 0 CDAERP C[C@@H]1C[C@@H](C[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)CC[NH2+]1 ZINC000629661025 363316353 /nfs/dbraw/zinc/31/63/53/363316353.db2.gz AKCTYQHGSZDNSY-CBBWQLFWSA-N 2 0 252.402 1.469 10 0 CDAERP [NH3+]CCCOCC[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000629677026 363326835 /nfs/dbraw/zinc/32/68/35/363326835.db2.gz AECZLWZTESCFGC-UHFFFAOYSA-N 2 0 278.396 1.509 10 0 CDAERP C[C@@H]([NH3+])C[C@H](C)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000643544832 355999926 /nfs/dbraw/zinc/99/99/26/355999926.db2.gz BGHRLSWVGLXUAN-JBBLNQKSSA-N 2 0 265.445 1.855 10 0 CDAERP CN(Cc1cnc2ccccc2n1)CC1C[NH+](C)C1 ZINC000628338155 363499530 /nfs/dbraw/zinc/49/95/30/363499530.db2.gz BCWJQZIZNKIMRU-UHFFFAOYSA-N 2 0 256.353 1.623 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000336397627 363501629 /nfs/dbraw/zinc/50/16/29/363501629.db2.gz AYJBOKNLQPGDHG-HIFRSBDPSA-N 2 0 281.444 1.659 10 0 CDAERP C[NH+]1CCC(CNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000237107670 140250831 /nfs/dbraw/zinc/25/08/31/140250831.db2.gz UPSBGNOPJDUUCK-GJZGRUSLSA-N 2 0 281.444 1.742 10 0 CDAERP C[C@]1(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC[NH2+]C1 ZINC000237540555 140254839 /nfs/dbraw/zinc/25/48/39/140254839.db2.gz PEXSEIRNBBBDTD-KRWDZBQOSA-N 2 0 293.455 1.899 10 0 CDAERP COCCN1CCC[C@@H]1C[NH2+]C[C@@H](O)CC1CCCC1 ZINC000564844195 357367997 /nfs/dbraw/zinc/36/79/97/357367997.db2.gz JWMVNLHQZUIAES-CVEARBPZSA-N 2 0 284.444 1.628 10 0 CDAERP C[C@@](O)(CO)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000642795921 357466438 /nfs/dbraw/zinc/46/64/38/357466438.db2.gz JIFNCTHHZNFLNL-HNNXBMFYSA-N 2 0 270.417 1.116 10 0 CDAERP CC[C@@H]1CC[N@@H+]1C[C@@H](O)CN(C)Cc1ccccc1 ZINC000644786790 358065509 /nfs/dbraw/zinc/06/55/09/358065509.db2.gz LJRAPWQJJVQCDB-CVEARBPZSA-N 2 0 262.397 1.964 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@H]1C[NH2+]Cc3ccccc31)C2 ZINC000634742461 358189611 /nfs/dbraw/zinc/18/96/11/358189611.db2.gz MKYNOEXWQNJXLL-RYQLBKOJSA-N 2 0 299.418 1.331 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000236788640 366415450 /nfs/dbraw/zinc/41/54/50/366415450.db2.gz HDBRVQVYZMGVHZ-KBPBESRZSA-N 2 0 267.417 1.223 10 0 CDAERP CCC[NH2+][C@@H](C)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634761804 358430960 /nfs/dbraw/zinc/43/09/60/358430960.db2.gz JPQOGIPMFUFMSC-NWDGAFQWSA-N 2 0 255.406 1.269 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000055088241 358765832 /nfs/dbraw/zinc/76/58/32/358765832.db2.gz CXLGKMUHJOLNCN-UONOGXRCSA-N 2 0 267.417 1.304 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2CC[NH3+])C1 ZINC000070552571 358969460 /nfs/dbraw/zinc/96/94/60/358969460.db2.gz QAWYABGJKYMRRB-CQSZACIVSA-N 2 0 275.396 1.402 10 0 CDAERP CCCC(=O)N[C@H]1CCCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000261927895 359091718 /nfs/dbraw/zinc/09/17/18/359091718.db2.gz CJIQUQSONUXJNA-DZGCQCFKSA-N 2 0 267.417 1.367 10 0 CDAERP CC[C@@H]1CN(C[C@@]2(C)CC[NH2+]C2)CC[N@@H+]1CCOC ZINC000262012264 359123312 /nfs/dbraw/zinc/12/33/12/359123312.db2.gz MHZWCTBLGRCSIR-CABCVRRESA-N 2 0 269.433 1.029 10 0 CDAERP COCCO[C@@H]1CCC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262033458 359125562 /nfs/dbraw/zinc/12/55/62/359125562.db2.gz OHPHYMUWELNRPQ-KGLIPLIRSA-N 2 0 256.390 1.113 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1)N(C)C1CC1 ZINC000262047184 359130055 /nfs/dbraw/zinc/13/00/55/359130055.db2.gz ZERPRJISWSEINX-MIGQKNRLSA-N 2 0 281.444 1.216 10 0 CDAERP COCC[N@@H+]1CC[C@H](NC2CC([NH+]3CCCCC3)C2)C1 ZINC000355579539 359623533 /nfs/dbraw/zinc/62/35/33/359623533.db2.gz HEYFIGLAXZUHQS-FHERZECASA-N 2 0 281.444 1.314 10 0 CDAERP Cn1cc(CC[NH2+][C@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cn1 ZINC000375839303 359630225 /nfs/dbraw/zinc/63/02/25/359630225.db2.gz LYFLUSYOMBJRNH-SOUVJXGZSA-N 2 0 262.401 1.425 10 0 CDAERP COCC[N@@H+]1CCC[C@H]1CN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422702539 359650749 /nfs/dbraw/zinc/65/07/49/359650749.db2.gz KYVCVGQPOPBJIS-KKUMJFAQSA-N 2 0 269.433 1.217 10 0 CDAERP CC1CC[NH+](CC(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC000297031355 200066618 /nfs/dbraw/zinc/06/66/18/200066618.db2.gz BRPYNYJWECZPDJ-UHFFFAOYSA-N 2 0 286.379 1.682 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCCC[C@@]21C ZINC000626103930 359703067 /nfs/dbraw/zinc/70/30/67/359703067.db2.gz XIZGXJPQOUDDFJ-KKUMJFAQSA-N 2 0 254.418 1.952 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H](CO)c1ccccc1 ZINC000423007322 359737828 /nfs/dbraw/zinc/73/78/28/359737828.db2.gz QGBQHQCXAYSTKL-ZFWWWQNUSA-N 2 0 250.386 1.870 10 0 CDAERP C[C@H](N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)C1C[NH2+]C1 ZINC000423009686 359738928 /nfs/dbraw/zinc/73/89/28/359738928.db2.gz DJRYIYWNGWTZKJ-RCBQFDQVSA-N 2 0 259.397 1.629 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)NCC[NH2+]C2CC2)cc1 ZINC000637339516 359759444 /nfs/dbraw/zinc/75/94/44/359759444.db2.gz IUTHACIBVUYJNY-LLVKDONJSA-N 2 0 276.384 1.258 10 0 CDAERP CCOc1cccc(CC[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])c1 ZINC000423002916 359746433 /nfs/dbraw/zinc/74/64/33/359746433.db2.gz ZWJLMANWHZYEMO-XOKHGSTOSA-N 2 0 292.423 1.970 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000262258273 359825635 /nfs/dbraw/zinc/82/56/35/359825635.db2.gz FUIWDTBATQHBED-XUWVNRHRSA-N 2 0 295.471 1.988 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000456521066 363694414 /nfs/dbraw/zinc/69/44/14/363694414.db2.gz BZLRLKFAUNWGGO-CQSZACIVSA-N 2 0 281.444 1.661 10 0 CDAERP C(C[C@@H]1CCO1)C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000637869239 366656796 /nfs/dbraw/zinc/65/67/96/366656796.db2.gz JKXXSBJVKPTEHR-MRXNPFEDSA-N 2 0 281.444 1.269 10 0 CDAERP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cnc(C)o2)C1 ZINC000628186379 360181738 /nfs/dbraw/zinc/18/17/38/360181738.db2.gz IERMBBVDGYXVDS-AWEZNQCLSA-N 2 0 281.400 1.916 10 0 CDAERP CC(C)n1cncc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000090208863 360209198 /nfs/dbraw/zinc/20/91/98/360209198.db2.gz FKOQXGLFBOOBHW-UHFFFAOYSA-N 2 0 250.390 1.895 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)CCO1 ZINC000352618462 363743704 /nfs/dbraw/zinc/74/37/04/363743704.db2.gz QQXGVGZEWGKMBN-OVYGPGRDSA-N 2 0 296.455 1.985 10 0 CDAERP C(N1CCC[N@@H+](C2CCCC2)CC1)C12CC(C1)C[NH2+]2 ZINC000634992610 360620460 /nfs/dbraw/zinc/62/04/60/360620460.db2.gz VRXUNERONNVYFE-UHFFFAOYSA-N 2 0 263.429 1.689 10 0 CDAERP c1ccc(C[N@H+]2CC[C@@H]3CN(CC45CC(C4)C[NH2+]5)C[C@@H]32)cc1 ZINC000634996474 360626071 /nfs/dbraw/zinc/62/60/71/360626071.db2.gz KZHKFBMCKANNQD-IAFLDTSXSA-N 2 0 297.446 1.945 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)C[NH2+]1 ZINC000626921889 360629274 /nfs/dbraw/zinc/62/92/74/360629274.db2.gz QGSMOXKNRLKVHG-ZIAGYGMSSA-N 2 0 296.459 1.691 10 0 CDAERP O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1ccc2c(c1)C[NH2+]C2 ZINC000335653458 360672301 /nfs/dbraw/zinc/67/23/01/360672301.db2.gz IPLLHJMSENFLEF-GFCCVEGCSA-N 2 0 281.306 1.017 10 0 CDAERP C[C@@H]1CCN(C(=O)[C@](C)([NH3+])c2ccccc2)C[C@H]1C[NH3+] ZINC000417831606 360780280 /nfs/dbraw/zinc/78/02/80/360780280.db2.gz HWDKFHQDGAXDFT-XJKCOSOUSA-N 2 0 275.396 1.304 10 0 CDAERP C[N@@H+]1CCCN(C(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000335708119 360821236 /nfs/dbraw/zinc/82/12/36/360821236.db2.gz SZXWZHBOBXHOQN-UHFFFAOYSA-N 2 0 294.443 1.350 10 0 CDAERP C[NH+](C)[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000335734349 360864876 /nfs/dbraw/zinc/86/48/76/360864876.db2.gz BGWRFRGNAANGAY-HNNXBMFYSA-N 2 0 281.444 1.661 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000389156132 361125436 /nfs/dbraw/zinc/12/54/36/361125436.db2.gz XJBBQNJELKQDTC-HIFRSBDPSA-N 2 0 271.449 1.007 10 0 CDAERP O[C@H](C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)CC1(O)CCC1 ZINC000528387133 361184868 /nfs/dbraw/zinc/18/48/68/361184868.db2.gz LGPFPJIPDQUQCY-CABCVRRESA-N 2 0 282.428 1.070 10 0 CDAERP C[C@H](CCC[NH3+])NC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000519546247 361345672 /nfs/dbraw/zinc/34/56/72/361345672.db2.gz UHNMXDVFIZJUSR-DOMZBBRYSA-N 2 0 290.411 1.382 10 0 CDAERP C[NH+](C)CCCCC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000628965914 361362618 /nfs/dbraw/zinc/36/26/18/361362618.db2.gz LFQJCUJVKWKPNG-OAHLLOKOSA-N 2 0 281.444 1.851 10 0 CDAERP CC[N@@H+]1CC[C@H]2OCCN(CCCn3ccnc3)[C@H]2C1 ZINC000339394573 361479992 /nfs/dbraw/zinc/47/99/92/361479992.db2.gz MRICNCGOGJAFBC-LSDHHAIUSA-N 2 0 278.400 1.068 10 0 CDAERP O[C@]1(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)CCCOC1 ZINC000639684568 364421731 /nfs/dbraw/zinc/42/17/31/364421731.db2.gz WSKNICLKRJSVLS-INIZCTEOSA-N 2 0 291.395 1.135 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000357239439 366854169 /nfs/dbraw/zinc/85/41/69/366854169.db2.gz JSCMIBMTNUIHRV-ZIAGYGMSSA-N 2 0 267.417 1.317 10 0 CDAERP CCN(CCO)CC[NH2+]C[C@H]1CC(C)=C[C@@H](C)C1 ZINC000352909123 364631945 /nfs/dbraw/zinc/63/19/45/364631945.db2.gz YGNAUQGYDFFXCB-UKRRQHHQSA-N 2 0 254.418 1.883 10 0 CDAERP CC[C@H](Cn1cncn1)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000353269422 365103389 /nfs/dbraw/zinc/10/33/89/365103389.db2.gz TUZQOJSTYZLPSK-CQSZACIVSA-N 2 0 279.432 1.767 10 0 CDAERP CC1=CC[NH+](CCNC(=O)N(C)CC[N@H+](C)C2CC2)CC1 ZINC000353228162 365075087 /nfs/dbraw/zinc/07/50/87/365075087.db2.gz BZNHBJYUGZWRRN-UHFFFAOYSA-N 2 0 294.443 1.374 10 0 CDAERP COc1ccc(COCC[NH2+][C@H]2CN(C)C[C@@H]2C)cc1 ZINC000357341681 366928110 /nfs/dbraw/zinc/92/81/10/366928110.db2.gz CNXQFHLIAKWHPK-BBRMVZONSA-N 2 0 278.396 1.752 10 0 CDAERP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CC)C1)[NH+](CC)CC ZINC000414010631 241023476 /nfs/dbraw/zinc/02/34/76/241023476.db2.gz YTKXVLPZMFWTKO-OLZOCXBDSA-N 2 0 255.406 1.317 10 0 CDAERP CCn1nc(C)c(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c1C ZINC000307969319 367097515 /nfs/dbraw/zinc/09/75/15/367097515.db2.gz YZAQXOAPLKYYDF-IAQYHMDHSA-N 2 0 264.417 1.937 10 0 CDAERP CC(C)C[C@@H]([NH3+])CNC[C@@H]1[NH2+]CCc2ccccc21 ZINC000414943135 370838999 /nfs/dbraw/zinc/83/89/99/370838999.db2.gz CPIFUKNJJUEQED-ZBFHGGJFSA-N 2 0 261.413 1.836 10 0 CDAERP CC[N@H+](C)C[C@H](O)CN1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000566834751 370820682 /nfs/dbraw/zinc/82/06/82/370820682.db2.gz DCSZMEXGKVIAFA-MJBXVCDLSA-N 2 0 272.433 1.028 10 0 CDAERP C[C@]1(C[NH+]2CCC(N3CCCCC3=O)CC2)CC[NH2+]C1 ZINC000261976430 291380210 /nfs/dbraw/zinc/38/02/10/291380210.db2.gz ITOGUKBPDRKWGT-INIZCTEOSA-N 2 0 279.428 1.463 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000627052621 367310901 /nfs/dbraw/zinc/31/09/01/367310901.db2.gz RGFFDYZRCSMWBX-WRWGMCAJSA-N 2 0 277.372 1.329 10 0 CDAERP C[C@@H]1CN(C(=O)CC[C@H]2CCCC[N@@H+]2C)[C@H](C)C[NH2+]1 ZINC000575986170 317051986 /nfs/dbraw/zinc/05/19/86/317051986.db2.gz SMSDOOUKAMQQMH-MGPQQGTHSA-N 2 0 267.417 1.460 10 0 CDAERP CC(C)[NH+](CCNC(=O)N[C@@H](C)[C@@H](C)[NH3+])C(C)C ZINC000416798213 242143082 /nfs/dbraw/zinc/14/30/82/242143082.db2.gz BRUJYRSYOWHLTJ-NEPJUHHUSA-N 2 0 258.410 1.140 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000627166066 367600015 /nfs/dbraw/zinc/60/00/15/367600015.db2.gz ONLDJZHHZLIIIV-IGQOVBAYSA-N 2 0 282.432 1.109 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2CC[NH2+][C@H]2CC)CC1 ZINC000627167707 367603234 /nfs/dbraw/zinc/60/32/34/367603234.db2.gz LVIHBVCXBZTHMK-LSDHHAIUSA-N 2 0 296.459 1.643 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CC[NH+](C)C)C(C)C ZINC000627165257 367596425 /nfs/dbraw/zinc/59/64/25/367596425.db2.gz PWDSYOLGYOMRNC-QWHCGFSZSA-N 2 0 270.421 1.109 10 0 CDAERP CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000627199295 367686848 /nfs/dbraw/zinc/68/68/48/367686848.db2.gz UWHGVBRROMPNGJ-MELADBBJSA-N 2 0 282.432 1.299 10 0 CDAERP CC[C@@H]1C[N@H+](CC)CCN1C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627207983 367709883 /nfs/dbraw/zinc/70/98/83/367709883.db2.gz VGPGREYLQQXUJH-BFHYXJOUSA-N 2 0 282.432 1.253 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CCC[NH+](C)C ZINC000538317055 368266689 /nfs/dbraw/zinc/26/66/89/368266689.db2.gz XNYLSQZQEGSKII-BETUJISGSA-N 2 0 255.406 1.269 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000418388882 243016724 /nfs/dbraw/zinc/01/67/24/243016724.db2.gz STRHONJKZLKMRZ-WCFLWFBJSA-N 2 0 268.405 1.025 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)[NH3+])[C@@H](C)C1 ZINC000418425660 243062030 /nfs/dbraw/zinc/06/20/30/243062030.db2.gz IUBGGYSOOAJMED-RYUDHWBXSA-N 2 0 270.421 1.095 10 0 CDAERP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418405022 243036110 /nfs/dbraw/zinc/03/61/10/243036110.db2.gz ASABMYJSZKRIJU-QEJZJMRPSA-N 2 0 290.411 1.598 10 0 CDAERP CC(C)C[C@@H](C[NH3+])NC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000418421959 243057121 /nfs/dbraw/zinc/05/71/21/243057121.db2.gz AGDFZXCTXSIREL-DOMZBBRYSA-N 2 0 292.427 1.879 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)N(C)C2CC([NH3+])C2)cc1 ZINC000418465216 243109643 /nfs/dbraw/zinc/10/96/43/243109643.db2.gz QMLFTTNQURKMGP-GWMXKSKGSA-N 2 0 276.384 1.337 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000418584408 243239505 /nfs/dbraw/zinc/23/95/05/243239505.db2.gz CADYKNJPBWUCQI-QLFBSQMISA-N 2 0 296.459 1.500 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000418585637 243241028 /nfs/dbraw/zinc/24/10/28/243241028.db2.gz DNSCOABNDQCDSH-DZGCQCFKSA-N 2 0 296.459 1.500 10 0 CDAERP CC(C)CC[C@@H]([NH3+])C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000638123645 368515682 /nfs/dbraw/zinc/51/56/82/368515682.db2.gz RQZLGBQCBQIXTM-JALIKCBVSA-N 2 0 281.444 1.881 10 0 CDAERP CCCN(CCC[NH+](C)C)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000418689228 243342516 /nfs/dbraw/zinc/34/25/16/243342516.db2.gz BWDQXLXLOHBVOP-RYUDHWBXSA-N 2 0 258.410 1.095 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)NC(C)(C)CCC[NH+](C)C ZINC000418696280 243348929 /nfs/dbraw/zinc/34/89/29/243348929.db2.gz KPPAPOASQXCBJD-GHMZBOCLSA-N 2 0 258.410 1.142 10 0 CDAERP COC(=O)[C@@H](C1CC1)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000541058558 368596595 /nfs/dbraw/zinc/59/65/95/368596595.db2.gz PXJLGTJIWWTVDT-OAHLLOKOSA-N 2 0 282.428 1.990 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000542743912 368814213 /nfs/dbraw/zinc/81/42/13/368814213.db2.gz GKBDXIQYZXZGOC-GOOCMWNKSA-N 2 0 296.459 1.595 10 0 CDAERP COc1c[nH+]ccc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000361520852 368870819 /nfs/dbraw/zinc/87/08/19/368870819.db2.gz WIFMNFXWVUITHG-CYBMUJFWSA-N 2 0 277.368 1.249 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC[C@H]1C[NH+](C)C ZINC000362506991 369104999 /nfs/dbraw/zinc/10/49/99/369104999.db2.gz NZSUEDFGCOLSTJ-MCIONIFRSA-N 2 0 267.417 1.412 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](OC)[C@H]2CCOC2)[C@@H](C)C1 ZINC000660081556 412774181 /nfs/dbraw/zinc/77/41/81/412774181.db2.gz ICDBFNYDPSJFPK-VGWMRTNUSA-N 2 0 284.444 1.700 10 0 CDAERP CC[NH+](CC)CCCNC(=O)NCCC1(C[NH3+])CC1 ZINC000652118247 412776185 /nfs/dbraw/zinc/77/61/85/412776185.db2.gz YSOBLYHBIHZESR-UHFFFAOYSA-N 2 0 270.421 1.147 10 0 CDAERP CCOC1CC(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC000367849374 369267176 /nfs/dbraw/zinc/26/71/76/369267176.db2.gz XRWAZDOKRKFIRF-YMAMQOFZSA-N 2 0 252.402 1.829 10 0 CDAERP [NH3+][C@H](c1cn(C[C@@H]2CCC[NH2+]2)nn1)c1ccc(F)cc1 ZINC000630605682 369387204 /nfs/dbraw/zinc/38/72/04/369387204.db2.gz MWUAZMAGIWFOAN-JSGCOSHPSA-N 2 0 275.331 1.217 10 0 CDAERP CCn1nccc1CC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000368351434 369445363 /nfs/dbraw/zinc/44/53/63/369445363.db2.gz GRXYVSUEUYSTLO-OAHLLOKOSA-N 2 0 262.401 1.473 10 0 CDAERP C[N@H+](CCC1CC1)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000135308735 369662875 /nfs/dbraw/zinc/66/28/75/369662875.db2.gz QTBJEOVCNXUSHI-UHFFFAOYSA-N 2 0 279.428 1.461 10 0 CDAERP CCC[NH+](CCC)CCCNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170837092 369715502 /nfs/dbraw/zinc/71/55/02/369715502.db2.gz QWTQKMRQEGYOEI-OAHLLOKOSA-N 2 0 298.475 1.844 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)OC(C)C)[C@H](C)C1 ZINC000081095693 369932778 /nfs/dbraw/zinc/93/27/78/369932778.db2.gz VQGMBOZIUJKQPD-ZIAGYGMSSA-N 2 0 270.417 1.990 10 0 CDAERP C[C@@H](CCC[NH3+])NC(=O)NCC1([NH3+])CCCCCC1 ZINC000418282556 370451002 /nfs/dbraw/zinc/45/10/02/370451002.db2.gz HMHRACAEBYERJG-LBPRGKRZSA-N 2 0 270.421 1.465 10 0 CDAERP NC(=O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390857580 370557098 /nfs/dbraw/zinc/55/70/98/370557098.db2.gz KCYJCUREYIFOTC-MQVJKMGUSA-N 2 0 287.407 1.647 10 0 CDAERP CC[C@@H]1CCCCN1CC[NH2+][C@H](CCC[NH3+])COC ZINC000422738610 245197851 /nfs/dbraw/zinc/19/78/51/245197851.db2.gz YZYHMDSEGAKULW-HUUCEWRRSA-N 2 0 271.449 1.594 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CCCN(c2ccccc2)C1=O ZINC000422743891 245205512 /nfs/dbraw/zinc/20/55/12/245205512.db2.gz SBWXUBXYOFTFPF-GUTXKFCHSA-N 2 0 275.396 1.897 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H](C)CN1CCC[C@@H](C)C1 ZINC000422750449 245211378 /nfs/dbraw/zinc/21/13/78/245211378.db2.gz AUDBNTQZPCMXOZ-KFWWJZLASA-N 2 0 271.449 1.450 10 0 CDAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@@H]2CCCC2(C)C)CC1 ZINC000572993354 371373899 /nfs/dbraw/zinc/37/38/99/371373899.db2.gz ZQNYLCSNZVELKM-GJZGRUSLSA-N 2 0 283.460 1.011 10 0 CDAERP C[NH+](C)CCCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000377912311 371744625 /nfs/dbraw/zinc/74/46/25/371744625.db2.gz LSJJUBNBOQEXRG-AWEZNQCLSA-N 2 0 273.396 1.267 10 0 CDAERP CC(C)[N@H+](C)CC1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000580772357 371815458 /nfs/dbraw/zinc/81/54/58/371815458.db2.gz ZYOIYLJXWAJMTO-UONOGXRCSA-N 2 0 285.407 1.265 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N(C)C[C@H]1CCC[NH+]1CC ZINC000176438344 372734196 /nfs/dbraw/zinc/73/41/96/372734196.db2.gz JFSXBHUYOOBWEJ-OAHLLOKOSA-N 2 0 298.475 1.844 10 0 CDAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC2(C3CCC3)CCC2)CC1 ZINC000581247190 372899184 /nfs/dbraw/zinc/89/91/84/372899184.db2.gz QIVMVTKDYNVMFT-INIZCTEOSA-N 2 0 295.471 1.155 10 0 CDAERP C[NH2+][C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398072054 373594189 /nfs/dbraw/zinc/59/41/89/373594189.db2.gz PLHRDYLQUIBDOF-FMKPAKJESA-N 2 0 289.423 1.621 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000341317738 373540682 /nfs/dbraw/zinc/54/06/82/373540682.db2.gz KSWBKBFGKRBPOC-GUTXKFCHSA-N 2 0 296.459 1.499 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(C2CCCCC2)C1=O ZINC000643467724 373967515 /nfs/dbraw/zinc/96/75/15/373967515.db2.gz XIXLFTDLQPSSST-DZGCQCFKSA-N 2 0 297.443 1.264 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000342953186 374765620 /nfs/dbraw/zinc/76/56/20/374765620.db2.gz WKSUVGSQVMRWSS-UKRRQHHQSA-N 2 0 279.428 1.461 10 0 CDAERP Cn1ccnc1C[C@H]1CCC[N@H+](Cc2ccnn2C)C1 ZINC000130424985 375290447 /nfs/dbraw/zinc/29/04/47/375290447.db2.gz VYRVFKWXWYVMJG-CYBMUJFWSA-N 2 0 273.384 1.608 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000417008290 375714067 /nfs/dbraw/zinc/71/40/67/375714067.db2.gz MBRFHDBUXDZNDP-RDBSUJKOSA-N 2 0 284.448 1.404 10 0 CDAERP CCCNC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194738397 375958237 /nfs/dbraw/zinc/95/82/37/375958237.db2.gz MSNOMRKEXWMFGN-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000417373783 376009491 /nfs/dbraw/zinc/00/94/91/376009491.db2.gz BVKLHNBPINRIEE-AWEZNQCLSA-N 2 0 282.432 1.145 10 0 CDAERP CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@H]1CC ZINC000631330592 376109576 /nfs/dbraw/zinc/10/95/76/376109576.db2.gz SFZRDUBBNYVIBE-ZNMIVQPWSA-N 2 0 281.444 1.707 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000417383434 376060057 /nfs/dbraw/zinc/06/00/57/376060057.db2.gz ARDHFIPDQJZPNN-NEPJUHHUSA-N 2 0 270.421 1.286 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)NC2CCC([NH3+])CC2)CC1 ZINC000417394472 376555119 /nfs/dbraw/zinc/55/51/19/376555119.db2.gz SOSHDHXPHXHZDD-UHFFFAOYSA-N 2 0 296.459 1.678 10 0 CDAERP C[C@H]1COCC[C@H]1[NH2+]C/C=C\C[NH2+][C@H]1CCOC[C@H]1C ZINC000433148198 247992497 /nfs/dbraw/zinc/99/24/97/247992497.db2.gz QIGZRZWGAUOZEF-XZBYNNTFSA-N 2 0 282.428 1.572 10 0 CDAERP COc1ccccc1OCC[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631836560 376683374 /nfs/dbraw/zinc/68/33/74/376683374.db2.gz BNZCJKQGQGDSQD-QWHCGFSZSA-N 2 0 264.369 1.601 10 0 CDAERP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631840996 376694718 /nfs/dbraw/zinc/69/47/18/376694718.db2.gz HBSQUCZGBLGERX-ZDEQEGDKSA-N 2 0 255.406 1.206 10 0 CDAERP C[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000631842703 376699116 /nfs/dbraw/zinc/69/91/16/376699116.db2.gz DSBKSLSECBLPHX-VXGBXAGGSA-N 2 0 252.333 1.731 10 0 CDAERP CO[C@H](CC[NH2+][C@H]1CN(C)C[C@@H]1C)C(F)(F)F ZINC000344865545 377028757 /nfs/dbraw/zinc/02/87/57/377028757.db2.gz MUMMNRDFNMGGPO-LPEHRKFASA-N 2 0 254.296 1.494 10 0 CDAERP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCC[C@H]1CN1CCOCC1 ZINC000247451001 377118262 /nfs/dbraw/zinc/11/82/62/377118262.db2.gz ZLECETZDAXIKNU-IRXDYDNUSA-N 2 0 295.471 1.657 10 0 CDAERP CC[N@H+](CCNC(=O)NCC[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000417432148 377089289 /nfs/dbraw/zinc/08/92/89/377089289.db2.gz SHTHLIHKXWRQJP-ZDUSSCGKSA-N 2 0 282.432 1.160 10 0 CDAERP C[C@@H](CC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)C1CC[NH2+]CC1 ZINC000334751980 377278763 /nfs/dbraw/zinc/27/87/63/377278763.db2.gz PSRXRMDBBCJHGU-YOEHRIQHSA-N 2 0 293.455 1.614 10 0 CDAERP COCC[N@@H+]1CCC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000248875202 377344801 /nfs/dbraw/zinc/34/48/01/377344801.db2.gz JCIBCUGQRXDNDC-WTXIUTQJSA-N 2 0 281.444 1.312 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000436311731 249395031 /nfs/dbraw/zinc/39/50/31/249395031.db2.gz URQOSUHFRCNPRZ-BARDWOONSA-N 2 0 280.412 1.935 10 0 CDAERP C[N@@H+]1CCCC(C)(C)[C@@H]1CN[C@@H]1CCC[NH2+]CC1 ZINC000335012624 377804440 /nfs/dbraw/zinc/80/44/40/377804440.db2.gz QTYWRRHTTNFWMN-KGLIPLIRSA-N 2 0 253.434 1.839 10 0 CDAERP [NH3+][C@H]1CCC[C@@H]1C(=O)NC1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000261599820 377872251 /nfs/dbraw/zinc/87/22/51/377872251.db2.gz BCFIPUUBTSTPRY-YPJKKVEASA-N 2 0 265.401 1.136 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1CC[C@H]([NH3+])C1)C1CCCC1 ZINC000091544760 377894728 /nfs/dbraw/zinc/89/47/28/377894728.db2.gz RHKUGEWLIAPVCX-NEPJUHHUSA-N 2 0 253.390 1.104 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000055090163 284722979 /nfs/dbraw/zinc/72/29/79/284722979.db2.gz MKNPZUKQKVJYNW-AVGNSLFASA-N 2 0 255.406 1.350 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000634121867 379058743 /nfs/dbraw/zinc/05/87/43/379058743.db2.gz JEVBWNZMYSUEST-ZDUSSCGKSA-N 2 0 267.417 1.271 10 0 CDAERP O=C(c1cccc2c1C[NH2+]C2)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000662339058 412907821 /nfs/dbraw/zinc/90/78/21/412907821.db2.gz RPKICBIGFHTDBY-RHSMWYFYSA-N 2 0 299.418 1.894 10 0 CDAERP CO[C@H](C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1)[C@@H]1CCOC1 ZINC000660665857 412934866 /nfs/dbraw/zinc/93/48/66/412934866.db2.gz YGTSOVQUUWPTRS-BZUAXINKSA-N 2 0 282.428 1.456 10 0 CDAERP FC1(F)C[C@@H]1OCC[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000662235305 412949846 /nfs/dbraw/zinc/94/98/46/412949846.db2.gz PQRFIMXHQZIDAT-LBPRGKRZSA-N 2 0 260.328 1.627 10 0 CDAERP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)C2(OC)CCOCC2)C1 ZINC000453099174 252268932 /nfs/dbraw/zinc/26/89/32/252268932.db2.gz QKRUFSIBZTZPST-HUUCEWRRSA-N 2 0 284.444 1.892 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000417931944 532990521 /nfs/dbraw/zinc/99/05/21/532990521.db2.gz LSDAPIARHAISDV-IALDZJHCSA-N 2 0 270.421 1.142 10 0 CDAERP C[C@@H](CCCC[NH3+])NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655968247 412971698 /nfs/dbraw/zinc/97/16/98/412971698.db2.gz QYKXSOCBRBMIIJ-RWMBFGLXSA-N 2 0 270.421 1.143 10 0 CDAERP CC(C)(C)[NH2+]CCNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653347302 412997739 /nfs/dbraw/zinc/99/77/39/412997739.db2.gz ZSAKSIREJRWITP-VXGBXAGGSA-N 2 0 253.390 1.021 10 0 CDAERP CCC([NH3+])(CC)CNC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662426583 413004550 /nfs/dbraw/zinc/00/45/50/413004550.db2.gz VVRLILBVMZAKSX-UHFFFAOYSA-N 2 0 268.361 1.116 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)C[NH2+]C(C)C)CC1 ZINC000662433167 413014741 /nfs/dbraw/zinc/01/47/41/413014741.db2.gz WXIYYAHWFJSWKM-UHFFFAOYSA-N 2 0 255.406 1.223 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NC(C)(C)C[NH3+] ZINC000417537476 296427947 /nfs/dbraw/zinc/42/79/47/296427947.db2.gz SFLCTLGSSFNEHU-VXGBXAGGSA-N 2 0 270.421 1.286 10 0 CDAERP CC[NH+](CC)Cc1ccccc1CNC(=O)CC1C[NH2+]C1 ZINC000081765920 177854803 /nfs/dbraw/zinc/85/48/03/177854803.db2.gz IPBNVBKNNCOMLY-UHFFFAOYSA-N 2 0 289.423 1.754 10 0 CDAERP COc1ncncc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657814551 413042303 /nfs/dbraw/zinc/04/23/03/413042303.db2.gz JJMQHJRYBLFUBJ-UHFFFAOYSA-N 2 0 290.411 1.697 10 0 CDAERP CC[C@H](C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)[NH+](C)C ZINC000119627903 390538492 /nfs/dbraw/zinc/53/84/92/390538492.db2.gz HDXMUCONOMPKRW-LSDHHAIUSA-N 2 0 281.444 1.804 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)CC[C@@H](C)[NH3+])[C@H](C)C1 ZINC000193319223 285384222 /nfs/dbraw/zinc/38/42/22/285384222.db2.gz LRPCVMVKTSWDSH-UPJWGTAASA-N 2 0 255.406 1.303 10 0 CDAERP CC(C)([NH3+])CCC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000648198276 390949853 /nfs/dbraw/zinc/94/98/53/390949853.db2.gz KPGNJEVTKHUEQJ-CQSZACIVSA-N 2 0 275.396 1.589 10 0 CDAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CC12CC2 ZINC000421765988 390952898 /nfs/dbraw/zinc/95/28/98/390952898.db2.gz BPHHEBGFUCDSIS-AWEZNQCLSA-N 2 0 281.444 1.519 10 0 CDAERP c1nc2ccccn2c1CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000647541480 390983091 /nfs/dbraw/zinc/98/30/91/390983091.db2.gz DBYYNLWXMICPMZ-INIZCTEOSA-N 2 0 270.380 1.910 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H](NCC[NH2+]C2CCCCCC2)C1 ZINC000647546550 390990307 /nfs/dbraw/zinc/99/03/07/390990307.db2.gz PDLGDRXIGZUNBY-DZGCQCFKSA-N 2 0 253.434 1.886 10 0 CDAERP Cc1nn(C)c(C)c1CC[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000415079685 390990585 /nfs/dbraw/zinc/99/05/85/390990585.db2.gz IGVZEEUTSDBWDB-SMDDNHRTSA-N 2 0 264.417 1.557 10 0 CDAERP Cc1ccc(C[C@H](CO)N[C@H]2C[NH2+]C[C@H](C)C2)cc1 ZINC000647551458 390996811 /nfs/dbraw/zinc/99/68/11/390996811.db2.gz PFDBKBGODWDZFV-FVQBIDKESA-N 2 0 262.397 1.486 10 0 CDAERP C[NH2+]CCNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418326850 391318011 /nfs/dbraw/zinc/31/80/11/391318011.db2.gz LISKTECFOJFLSN-OAHLLOKOSA-N 2 0 290.411 1.122 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000417220534 391346225 /nfs/dbraw/zinc/34/62/25/391346225.db2.gz YOLUAVNFRQFJJS-ORIJERBGSA-N 2 0 296.459 1.628 10 0 CDAERP CC(C)COC[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353515936 391394784 /nfs/dbraw/zinc/39/47/84/391394784.db2.gz IOPYPUJAUWCAKI-QXSJWSMHSA-N 2 0 284.444 1.482 10 0 CDAERP C[C@@H]1CC[NH2+][C@@H](C(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000417821453 391487349 /nfs/dbraw/zinc/48/73/49/391487349.db2.gz ZAKPLALPWKDXLD-UKRRQHHQSA-N 2 0 290.411 1.066 10 0 CDAERP C[C@H]1CN(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)CC[NH2+]1 ZINC000417537507 391645648 /nfs/dbraw/zinc/64/56/48/391645648.db2.gz SKOGKDRAZQUYDF-IHRRRGAJSA-N 2 0 282.432 1.253 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](C)CCC[NH3+] ZINC000415026792 391728467 /nfs/dbraw/zinc/72/84/67/391728467.db2.gz VLBQJFFAKOCERI-GFCCVEGCSA-N 3 0 273.384 1.793 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000418195626 391803103 /nfs/dbraw/zinc/80/31/03/391803103.db2.gz CIBLKOPLQFERBG-SOUVJXGZSA-N 2 0 296.459 1.643 10 0 CDAERP [NH3+]C[C@@H](NC(=O)N[C@H]1CCc2[nH]cnc2C1)C1CCCC1 ZINC000418240946 391827113 /nfs/dbraw/zinc/82/71/13/391827113.db2.gz PNWMADVNHMTMSK-SMDDNHRTSA-N 2 0 291.399 1.084 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)cc1 ZINC000647854641 391864693 /nfs/dbraw/zinc/86/46/93/391864693.db2.gz FEFZXDCDRFGZOM-VKKKGTNTSA-N 2 0 259.353 1.073 10 0 CDAERP CC(C)[C@@H](C[NH2+]CC1(F)CC1)N1CC[NH+](C)CC1 ZINC000525981521 392020994 /nfs/dbraw/zinc/02/09/94/392020994.db2.gz UONGMFQYBXTPRK-CYBMUJFWSA-N 2 0 257.397 1.350 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000440102280 392167484 /nfs/dbraw/zinc/16/74/84/392167484.db2.gz KMCGYYZDGGKAFN-GJZGRUSLSA-N 2 0 279.428 1.604 10 0 CDAERP C(CN[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)C[NH+]1CCCCC1 ZINC000422793918 392259806 /nfs/dbraw/zinc/25/98/06/392259806.db2.gz XRHUZWXCHBTNQM-HOTGVXAUSA-N 2 0 281.444 1.219 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCC1CCC(OC)CC1 ZINC000423042488 392295048 /nfs/dbraw/zinc/29/50/48/392295048.db2.gz ZMEMKIUGSPXBDA-SHARSMKWSA-N 2 0 272.433 1.925 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1cnn2ccccc12 ZINC000423109758 392351317 /nfs/dbraw/zinc/35/13/17/392351317.db2.gz TUKVAWFHGHGVIM-ZDUSSCGKSA-N 2 0 262.357 1.178 10 0 CDAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H]1CCCC[N@@H+]1CCO ZINC000423146648 392384681 /nfs/dbraw/zinc/38/46/81/392384681.db2.gz PVDGGUPCCXVQIQ-IXDOHACOSA-N 2 0 297.487 1.734 10 0 CDAERP c1ccc([C@@H]2CC[C@@H]([NH2+]CCN3CC[NH2+]CC3)C2)cc1 ZINC000423202700 392440453 /nfs/dbraw/zinc/44/04/53/392440453.db2.gz LBDAHGKBSXOJLS-IAGOWNOFSA-N 2 0 273.424 1.818 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCC1CC(F)(F)C1 ZINC000423160464 392398835 /nfs/dbraw/zinc/39/88/35/392398835.db2.gz HJTDGQCEISUYCX-NSHDSACASA-N 2 0 250.333 1.765 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CC[NH2+]1 ZINC000646384900 392402193 /nfs/dbraw/zinc/40/21/93/392402193.db2.gz RWVJUOOIAWCNEQ-CAOSSQGBSA-N 2 0 293.455 1.613 10 0 CDAERP C[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)[C@H]1CCC[NH2+]C1 ZINC000574148837 392527346 /nfs/dbraw/zinc/52/73/46/392527346.db2.gz FTQHHMIRMBDIOU-YPMHNXCESA-N 2 0 262.353 1.893 10 0 CDAERP COc1ccc([C@H](NC[C@@H](C)C[NH3+])[C@H]2CCC[NH2+]2)cc1 ZINC000423300285 392495858 /nfs/dbraw/zinc/49/58/58/392495858.db2.gz DGCRSBTYWKLLBV-MAZHCROVSA-N 2 0 277.412 1.673 10 0 CDAERP COCC1(C[NH2+][C@@H](C)Cc2ccoc2)CC[NH2+]CC1 ZINC000423404592 392553862 /nfs/dbraw/zinc/55/38/62/392553862.db2.gz IXDYIGZASMBAIG-ZDUSSCGKSA-N 2 0 266.385 1.816 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC000646805513 392827239 /nfs/dbraw/zinc/82/72/39/392827239.db2.gz MVYODXAVASLPFC-IUODEOHRSA-N 2 0 275.396 1.807 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCC[NH+]1C1CC1 ZINC000494259872 392961820 /nfs/dbraw/zinc/96/18/20/392961820.db2.gz PFJNYLPHZGPMLT-DZGCQCFKSA-N 2 0 279.428 1.604 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000188892845 393003686 /nfs/dbraw/zinc/00/36/86/393003686.db2.gz HYULMRVAJAGKNP-AWEZNQCLSA-N 2 0 284.448 1.454 10 0 CDAERP CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CC2)C1 ZINC000494798693 393106401 /nfs/dbraw/zinc/10/64/01/393106401.db2.gz FQOJJDSHRIXMMV-GXTWGEPZSA-N 2 0 265.401 1.071 10 0 CDAERP CC[C@@H]1[C@H](CO)CC[NH+]1CCC[N@H+]1CC[C@@H](CO)[C@@H]1CC ZINC000451248720 393176334 /nfs/dbraw/zinc/17/63/34/393176334.db2.gz BDRYCPIIQIAHMF-LUKYLMHMSA-N 2 0 298.471 1.562 10 0 CDAERP CCC[NH+]1CCC(C[NH2+]Cc2cn3cccnc3n2)CC1 ZINC000459400659 393139224 /nfs/dbraw/zinc/13/92/24/393139224.db2.gz BMZGVNCVACOSNU-UHFFFAOYSA-N 2 0 287.411 1.941 10 0 CDAERP C[C@@H]1[C@H](C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC[N@@H+]1C ZINC000648763867 393297963 /nfs/dbraw/zinc/29/79/63/393297963.db2.gz MCVDVHRVXCYVFX-BXUZGUMPSA-N 2 0 285.351 1.546 10 0 CDAERP C[NH+](C)C[C@@H](NC(=O)[C@@H]1[NH2+]CC1(C)C)c1ccccc1 ZINC000649281614 393315691 /nfs/dbraw/zinc/31/56/91/393315691.db2.gz XAAHXVAXLKGEOG-KGLIPLIRSA-N 2 0 275.396 1.404 10 0 CDAERP [NH3+]CCCC(=O)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186566501 140064295 /nfs/dbraw/zinc/06/42/95/140064295.db2.gz RNKDZDMPSCNSLR-OAHLLOKOSA-N 2 0 290.411 1.291 10 0 CDAERP O=C(c1ccc(-n2ccnc2)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195327972 140153739 /nfs/dbraw/zinc/15/37/39/140153739.db2.gz KSVUJVOTWPLKIS-MRXNPFEDSA-N 2 0 296.374 1.793 10 0 CDAERP C[C@@H](CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1)[S@](C)=O ZINC000229791878 140203302 /nfs/dbraw/zinc/20/33/02/140203302.db2.gz ZHVLDSKAQRZDSV-RBZFPXEDSA-N 2 0 295.452 1.797 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000234792943 140232237 /nfs/dbraw/zinc/23/22/37/140232237.db2.gz YUMQPFNVSBOZHK-UONOGXRCSA-N 2 0 264.369 1.334 10 0 CDAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250099276 140301811 /nfs/dbraw/zinc/30/18/11/140301811.db2.gz RCINGQNEIFEMSE-APYLGABCSA-N 2 0 265.401 1.021 10 0 CDAERP CC1CCC(NC(=O)CN2CC[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000261639573 140367371 /nfs/dbraw/zinc/36/73/71/140367371.db2.gz CFRWCPVFBOYHTI-JXQTWKCFSA-N 2 0 281.444 1.741 10 0 CDAERP [NH3+]CCN(CCc1ccccc1)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000261727319 140381833 /nfs/dbraw/zinc/38/18/33/140381833.db2.gz MHQNITHWMHLMJW-CABCVRRESA-N 2 0 275.396 1.144 10 0 CDAERP C[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@@H](C[NH3+])C1 ZINC000261734792 140382117 /nfs/dbraw/zinc/38/21/17/140382117.db2.gz HXXUDGKNOBJYPJ-CZUORRHYSA-N 2 0 289.423 1.948 10 0 CDAERP C[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@H](C[NH3+])C1 ZINC000261734786 140382243 /nfs/dbraw/zinc/38/22/43/140382243.db2.gz HXXUDGKNOBJYPJ-BBRMVZONSA-N 2 0 289.423 1.948 10 0 CDAERP [NH3+][C@H]1CCC[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261734421 140382908 /nfs/dbraw/zinc/38/29/08/140382908.db2.gz MEFNGGXXOITKTE-CBBWQLFWSA-N 2 0 273.380 1.067 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000261821239 140394219 /nfs/dbraw/zinc/39/42/19/140394219.db2.gz ODHHUYRWKJQZCC-AAVRWANBSA-N 2 0 267.417 1.445 10 0 CDAERP CC[C@H]([NH2+]C)C(=O)N(CC[NH3+])CCc1ccccc1 ZINC000662562269 413128805 /nfs/dbraw/zinc/12/88/05/413128805.db2.gz IDYCOHJHFLAMIY-AWEZNQCLSA-N 2 0 263.385 1.014 10 0 CDAERP CO[C@@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)[C@@H]1CCOC1 ZINC000658070892 413171798 /nfs/dbraw/zinc/17/17/98/413171798.db2.gz AMCDWHOUVSIFMF-ZBFHGGJFSA-N 2 0 282.428 1.502 10 0 CDAERP O[C@H](C[NH2+]C[C@H]1CCSC1)C[NH+]1CCCCC1 ZINC000310380929 149193509 /nfs/dbraw/zinc/19/35/09/149193509.db2.gz JEMDIQHFVIRMJB-CHWSQXEVSA-N 2 0 258.431 1.176 10 0 CDAERP CN(CCC[NH3+])c1ncnc2c1cnn2-c1ccccc1 ZINC000037673622 398103563 /nfs/dbraw/zinc/10/35/63/398103563.db2.gz DFUYSWRDNWSHLI-UHFFFAOYSA-N 2 0 282.351 1.601 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000105124957 147213955 /nfs/dbraw/zinc/21/39/55/147213955.db2.gz OVLSNDPHVQEAQA-KGLIPLIRSA-N 2 0 284.448 1.452 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000175774302 148008611 /nfs/dbraw/zinc/00/86/11/148008611.db2.gz VEBPBFTTYRXSBO-ILXRZTDVSA-N 2 0 298.475 1.889 10 0 CDAERP Cc1nccn1CCCC[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000179271810 148102936 /nfs/dbraw/zinc/10/29/36/148102936.db2.gz JAYIGXHWICAWGH-OAHLLOKOSA-N 2 0 288.399 1.900 10 0 CDAERP C[C@H]([NH3+])CCC(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000193315685 148621294 /nfs/dbraw/zinc/62/12/94/148621294.db2.gz XCLLGXYYOISCGK-AWEZNQCLSA-N 2 0 297.443 1.265 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1CC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000261948035 148992370 /nfs/dbraw/zinc/99/23/70/148992370.db2.gz GLCWOCGKDXOUFK-RWMBFGLXSA-N 2 0 253.390 1.010 10 0 CDAERP COCC[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658143197 413231865 /nfs/dbraw/zinc/23/18/65/413231865.db2.gz XMFJESOSRQENPS-WMLDXEAASA-N 2 0 292.423 1.768 10 0 CDAERP CC1CC[NH+](CCNC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000334883188 150029794 /nfs/dbraw/zinc/02/97/94/150029794.db2.gz ZAHAFCAUGCDQKX-GASCZTMLSA-N 2 0 294.443 1.254 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N(CC)[C@@H]1CC[NH+](CC)C1 ZINC000664297680 413245367 /nfs/dbraw/zinc/24/53/67/413245367.db2.gz YEUYCPODDJQCMO-OAHLLOKOSA-N 2 0 298.475 1.844 10 0 CDAERP CC1=CC[N@H+](CCNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000335186722 150385448 /nfs/dbraw/zinc/38/54/48/150385448.db2.gz RJXKIYDIEYSZIZ-CABCVRRESA-N 2 0 292.427 1.174 10 0 CDAERP C[C@@]([NH3+])(C(=O)N1CCC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC000335894689 151089774 /nfs/dbraw/zinc/08/97/74/151089774.db2.gz WKZFIGMHOZCLGV-INIZCTEOSA-N 2 0 287.407 1.463 10 0 CDAERP NC(=O)c1csc(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000336106651 151273785 /nfs/dbraw/zinc/27/37/85/151273785.db2.gz YXRZPKVPFUKKTL-BXKDBHETSA-N 2 0 265.382 1.815 10 0 CDAERP C[C@@H]1C[N@H+](C[C@H](O)C(C)(C)C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343694645 152269185 /nfs/dbraw/zinc/26/91/85/152269185.db2.gz RHCHJPOULWLKJJ-OAGGEKHMSA-N 2 0 297.487 1.351 10 0 CDAERP C[C@@]1(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)CC[NH2+]C1 ZINC000261941874 297892857 /nfs/dbraw/zinc/89/28/57/297892857.db2.gz DUORBAUVCUXXPA-HUUCEWRRSA-N 3 0 251.418 1.450 10 0 CDAERP CC(C)C[NH+]1CCC(NC(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000662672814 413288950 /nfs/dbraw/zinc/28/89/50/413288950.db2.gz FQZHJXDRJRPJLT-UHFFFAOYSA-N 2 0 293.455 1.898 10 0 CDAERP CC[C@@H]1C[C@@H](C[N@H+](C)CCCN2CC[NH+](C)CC2)CCO1 ZINC000349292611 154082199 /nfs/dbraw/zinc/08/21/99/154082199.db2.gz CZEQZUSKAFDSNF-DLBZAZTESA-N 2 0 297.487 1.761 10 0 CDAERP C[C@@H](CNC(=O)CC1([NH3+])CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000662679466 413298939 /nfs/dbraw/zinc/29/89/39/413298939.db2.gz OOKNRZJDPGLGQF-NEPJUHHUSA-N 2 0 253.390 1.104 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N[C@H](C)C[NH+](C)C)CC1 ZINC000353838190 156115550 /nfs/dbraw/zinc/11/55/50/156115550.db2.gz DGNQZKXEMYXVBR-CYBMUJFWSA-N 2 0 284.448 1.358 10 0 CDAERP [NH3+]Cc1cccc(-c2cn([C@@H]3CCC[NH2+]C3)nn2)c1 ZINC000656468781 413328272 /nfs/dbraw/zinc/32/82/72/413328272.db2.gz SHUFHZOCTUUVNY-CYBMUJFWSA-N 2 0 257.341 1.328 10 0 CDAERP CCSCC[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000355730322 157207501 /nfs/dbraw/zinc/20/75/01/157207501.db2.gz GXRZNZSLISGXRA-AWEZNQCLSA-N 2 0 273.490 1.601 10 0 CDAERP C[NH+](C)CCCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000358912831 158069053 /nfs/dbraw/zinc/06/90/53/158069053.db2.gz ZTBQVOJPGGBMCI-UHFFFAOYSA-N 2 0 269.433 1.566 10 0 CDAERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3nn(C)cc32)C1 ZINC000358927970 158075361 /nfs/dbraw/zinc/07/53/61/158075361.db2.gz DRHJVLGQTDPMOR-TZMCWYRMSA-N 2 0 262.401 1.729 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000359296186 158203844 /nfs/dbraw/zinc/20/38/44/158203844.db2.gz BJTPUAMICQSVON-MRXNPFEDSA-N 2 0 291.439 1.617 10 0 CDAERP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000359594894 158302394 /nfs/dbraw/zinc/30/23/94/158302394.db2.gz FHBSZBXXONNWOK-NWDGAFQWSA-N 2 0 298.349 1.342 10 0 CDAERP [NH3+]C1(CC(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC000662722778 413381841 /nfs/dbraw/zinc/38/18/41/413381841.db2.gz QTAKMMSNKRTALQ-UHFFFAOYSA-N 2 0 257.297 1.087 10 0 CDAERP CCC[NH+]1CCC([NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)CC1 ZINC000362252323 159107035 /nfs/dbraw/zinc/10/70/35/159107035.db2.gz BMPMCJNPZSMGQI-CFVMTHIKSA-N 2 0 279.428 1.460 10 0 CDAERP C[NH+](C)Cc1ccccc1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000362762270 159231948 /nfs/dbraw/zinc/23/19/48/159231948.db2.gz HFOULIJCTWIJFG-CQSZACIVSA-N 2 0 275.396 1.572 10 0 CDAERP [NH3+]C1(CNC(=O)C[NH2+]CC2CC2)CCCCCC1 ZINC000363106408 159296639 /nfs/dbraw/zinc/29/66/39/159296639.db2.gz LARKJPJVYPIBMT-UHFFFAOYSA-N 2 0 253.390 1.154 10 0 CDAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000372891290 160156023 /nfs/dbraw/zinc/15/60/23/160156023.db2.gz MPONTERSNJIIPU-JSGCOSHPSA-N 2 0 290.411 1.140 10 0 CDAERP C[C@@H](N[C@H](Cc1ccccc1)C[NH+](C)C)C1C[NH2+]C1 ZINC000422716102 287064991 /nfs/dbraw/zinc/06/49/91/287064991.db2.gz MWVINFSLHFTGKV-CZUORRHYSA-N 2 0 261.413 1.357 10 0 CDAERP CC[NH+](CC)CC(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000653240002 412159547 /nfs/dbraw/zinc/15/95/47/412159547.db2.gz IPPPRBHMEBTFEG-CHWSQXEVSA-N 2 0 255.406 1.304 10 0 CDAERP CC(C)[N@H+](C)C[C@@H](O)C[NH2+]C[C@]1(C)CC1(F)F ZINC000656710286 413588284 /nfs/dbraw/zinc/58/82/84/413588284.db2.gz HXXSDUVYRDVKGB-QWRGUYRKSA-N 2 0 250.333 1.322 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)CC2([NH3+])CC2)C1 ZINC000662845066 413593720 /nfs/dbraw/zinc/59/37/20/413593720.db2.gz DCRKDHKUUKHABY-LLVKDONJSA-N 2 0 253.390 1.104 10 0 CDAERP CC(C)[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)C1(CO)CC=CC1 ZINC000660901660 413633596 /nfs/dbraw/zinc/63/35/96/413633596.db2.gz IRDCUCLYDRCADX-HZPDHXFCSA-N 2 0 298.471 1.630 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)[C@H]1[NH2+]CC1(C)C ZINC000664718269 413610981 /nfs/dbraw/zinc/61/09/81/413610981.db2.gz BHSCDBNQGPDDDN-LLVKDONJSA-N 2 0 255.406 1.221 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000664719423 413613992 /nfs/dbraw/zinc/61/39/92/413613992.db2.gz RNNMANYRPLAPFW-NWDGAFQWSA-N 2 0 255.406 1.221 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000659291635 413683789 /nfs/dbraw/zinc/68/37/89/413683789.db2.gz IOUQBCJNFDVRIM-STQMWFEESA-N 2 0 287.448 1.221 10 0 CDAERP CCN(C(=O)N[C@@H](C)C[NH+](C)C(C)C)[C@H]1CC[N@H+](C)C1 ZINC000664919033 413731376 /nfs/dbraw/zinc/73/13/76/413731376.db2.gz DMWQYLXITQMKKK-KBPBESRZSA-N 2 0 284.448 1.451 10 0 CDAERP CC[NH+](CC)CCCNC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659425822 413807249 /nfs/dbraw/zinc/80/72/49/413807249.db2.gz RJNSIXFUFVPLQB-CYBMUJFWSA-N 2 0 272.437 1.391 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000659447775 413833678 /nfs/dbraw/zinc/83/36/78/413833678.db2.gz UNYPTUPMDPKPAK-OAHLLOKOSA-N 2 0 298.475 1.781 10 0 CDAERP C[C@@H](NC(=O)NCC12CC(C1)C[NH2+]2)C(C)(C)C[NH+](C)C ZINC000659465620 413852974 /nfs/dbraw/zinc/85/29/74/413852974.db2.gz ANCMUEAMXKZSLH-XIKARTHZSA-N 2 0 282.432 1.014 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407209191 413896184 /nfs/dbraw/zinc/89/61/84/413896184.db2.gz CFAOGFXMLOGSTD-UONOGXRCSA-N 2 0 267.417 1.317 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1COc2cc(F)ccc2C1 ZINC000665267516 413999648 /nfs/dbraw/zinc/99/96/48/413999648.db2.gz YGIAZJXWMFXISD-KGLIPLIRSA-N 2 0 282.359 1.473 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000659618928 414030299 /nfs/dbraw/zinc/03/02/99/414030299.db2.gz LGZZJYVSDVWIQP-GDBMZVCRSA-N 2 0 296.459 1.487 10 0 CDAERP CC(C)[C@H](CN[C@@H](C)[C@@H]1CCC[N@H+](C)C1)[NH+](C)C ZINC000037221306 173040564 /nfs/dbraw/zinc/04/05/64/173040564.db2.gz BPFGUOKQTUAEKO-ZNMIVQPWSA-N 2 0 255.450 1.893 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]2CN(Cc3nc4c(s3)C[NH2+]CC4)C[C@H]21 ZINC000663494373 414289316 /nfs/dbraw/zinc/28/93/16/414289316.db2.gz ILSYMZYZAMMGBO-QJPTWQEYSA-N 2 0 292.452 1.348 10 0 CDAERP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2nc3c(s2)C[NH2+]CC3)CC1 ZINC000663496034 414292649 /nfs/dbraw/zinc/29/26/49/414292649.db2.gz CJQPVKPRIISNCZ-HAQNSBGRSA-N 3 0 294.468 1.644 10 0 CDAERP C[NH2+]C[C@H]1CCCN(Cc2nc3c(s2)C[NH2+]CC3)C1 ZINC000663494987 414294884 /nfs/dbraw/zinc/29/48/84/414294884.db2.gz MMIOKLNWBRMEDH-LLVKDONJSA-N 2 0 280.441 1.220 10 0 CDAERP Fc1ccc(/C=C\CN2CCOC3(C[NH2+]C3)C2)cc1 ZINC000663511764 414318410 /nfs/dbraw/zinc/31/84/10/414318410.db2.gz GSAJQHRFSAJERY-UPHRSURJSA-N 2 0 262.328 1.513 10 0 CDAERP CCN(C(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12)[C@H]1CC[N@H+](C)C1 ZINC000663717708 414426099 /nfs/dbraw/zinc/42/60/99/414426099.db2.gz YGFQPNCLQNQGCN-RRFJBIMHSA-N 2 0 294.443 1.349 10 0 CDAERP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)C1CCC(F)CC1 ZINC000661998630 414465935 /nfs/dbraw/zinc/46/59/35/414465935.db2.gz LIZHXJMWSHZQTE-GFJIZPEISA-N 2 0 260.397 1.805 10 0 CDAERP C(OC1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1)C1CC1 ZINC000662257165 414592785 /nfs/dbraw/zinc/59/27/85/414592785.db2.gz NMNXYMHSQDCGFI-HNNXBMFYSA-N 2 0 280.412 1.398 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662263016 414599369 /nfs/dbraw/zinc/59/93/69/414599369.db2.gz KBKZWYDLADROLQ-GJZGRUSLSA-N 2 0 281.444 1.171 10 0 CDAERP C[NH+](C)CCC[C@H]1CN(CCC[NH+]2CCCCC2)CCO1 ZINC000662321858 414640070 /nfs/dbraw/zinc/64/00/70/414640070.db2.gz FGAFGFUXOBAVJD-KRWDZBQOSA-N 2 0 297.487 1.905 10 0 CDAERP [NH3+]C[C@H]([C@@H]1CCOC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000040693755 174377841 /nfs/dbraw/zinc/37/78/41/174377841.db2.gz QWGPZCJLJKQOJZ-GDBMZVCRSA-N 2 0 281.444 1.301 10 0 CDAERP CC(C)(C)[C@H]([NH3+])C(=O)NCC[NH+]1CCCCCC1 ZINC000040768172 174398873 /nfs/dbraw/zinc/39/88/73/174398873.db2.gz GKSNRESCQLMERJ-GFCCVEGCSA-N 2 0 255.406 1.352 10 0 CDAERP CCC(CC)[C@H](CNC(=O)C[NH2+]CC1CC1)[NH+](C)C ZINC000040831499 174413173 /nfs/dbraw/zinc/41/31/73/174413173.db2.gz CIBSGRGSPBXJDD-AWEZNQCLSA-N 2 0 269.433 1.469 10 0 CDAERP CC[NH+](CC)CCn1cc(N[C@H]2CCC[NH2+]C2)cn1 ZINC000043327298 175008432 /nfs/dbraw/zinc/00/84/32/175008432.db2.gz BMOCVTGFHIUBAJ-ZDUSSCGKSA-N 2 0 265.405 1.389 10 0 CDAERP C[C@@H]([NH3+])[C@H](c1cccnc1)N1CC[NH+](C(C)(C)C)CC1 ZINC000043347509 175017809 /nfs/dbraw/zinc/01/78/09/175017809.db2.gz YAOZDHJTOQDYKH-UKRRQHHQSA-N 2 0 276.428 1.886 10 0 CDAERP Cc1cc(C)cc(C[NH2+]CCN2CC[NH+](C)CC2)c1 ZINC000043393590 175035009 /nfs/dbraw/zinc/03/50/09/175035009.db2.gz LMOSKMYKMQVOCO-UHFFFAOYSA-N 2 0 261.413 1.640 10 0 CDAERP [NH3+]CC1(N2CCO[C@@H]3CCCC[C@@H]32)CCSCC1 ZINC000043424866 175039874 /nfs/dbraw/zinc/03/98/74/175039874.db2.gz OFUIUPCKMAUHTR-QWHCGFSZSA-N 2 0 270.442 1.854 10 0 CDAERP CC(C)(C)[NH+]1CCN(C(=O)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000043591404 175073985 /nfs/dbraw/zinc/07/39/85/175073985.db2.gz IZJHMAHSNMHJER-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP C[NH+](C)C1CC[NH+](CCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000043591908 175074395 /nfs/dbraw/zinc/07/43/95/175074395.db2.gz VIJIFBSOOSCUHB-AWEZNQCLSA-N 3 0 253.434 1.792 10 0 CDAERP CC[NH+]1CCN([C@@H]2CCCCCC[C@H]2[NH2+]C)CC1 ZINC000043805755 175107392 /nfs/dbraw/zinc/10/73/92/175107392.db2.gz KEAGCAQGUDYGHL-HUUCEWRRSA-N 2 0 253.434 1.935 10 0 CDAERP CC(C)OC(=O)N1CCC[N@H+](C[C@H](C)C[NH3+])CC1 ZINC000044239593 175155598 /nfs/dbraw/zinc/15/55/98/175155598.db2.gz LFXQMQTWPYNMAB-GFCCVEGCSA-N 2 0 257.378 1.134 10 0 CDAERP CCC[NH+]1CCN([C@@H](c2ccncc2)[C@@H]([NH3+])CC)CC1 ZINC000044419069 175173929 /nfs/dbraw/zinc/17/39/29/175173929.db2.gz SVYAFANGDPXIQC-HOTGVXAUSA-N 2 0 276.428 1.888 10 0 CDAERP C[C@@H]1C[NH2+][C@H](C)CCN(C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000044538713 175199728 /nfs/dbraw/zinc/19/97/28/175199728.db2.gz AGZBTZQVSNMHMO-RBSFLKMASA-N 2 0 253.434 1.648 10 0 CDAERP CC[C@H]1CCN(C[C@@H]2CCC[N@H+](C)C2)CCC[NH2+]1 ZINC000044538685 175200019 /nfs/dbraw/zinc/20/00/19/175200019.db2.gz BBYGKIACEFEQKJ-CABCVRRESA-N 2 0 253.434 1.792 10 0 CDAERP C[C@@H]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC[C@@H](C)[NH2+]1 ZINC000044564225 175207370 /nfs/dbraw/zinc/20/73/70/175207370.db2.gz JXJJIPTYABBJFM-KFWWJZLASA-N 2 0 253.434 1.933 10 0 CDAERP C[C@@H]1C[NH2+][C@H](C)CCN([C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000044678655 175227922 /nfs/dbraw/zinc/22/79/22/175227922.db2.gz ANDHNXGAHILLPM-UMVBOHGHSA-N 2 0 251.418 1.543 10 0 CDAERP c1ccc2c(c1)C[NH2+][C@H](CN[C@H]1CC[N@@H+](C3CC3)C1)C2 ZINC000044679519 175228404 /nfs/dbraw/zinc/22/84/04/175228404.db2.gz ZMVBBZOGTYYSMH-HOTGVXAUSA-N 2 0 271.408 1.527 10 0 CDAERP C[N@@H+]1CC[C@@H](NC(=O)C2(C[NH3+])CCCCCC2)C1 ZINC000044763526 175247521 /nfs/dbraw/zinc/24/75/21/175247521.db2.gz BRNNKBVAFCLTEF-GFCCVEGCSA-N 2 0 253.390 1.106 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)[C@@H](C[NH3+])Cc1ccccc1 ZINC000044806573 175256531 /nfs/dbraw/zinc/25/65/31/175256531.db2.gz MSJKUMTZOQIPGJ-UKRRQHHQSA-N 2 0 277.412 1.260 10 0 CDAERP C[NH+](C)C(C)(C)CNC(=O)[C@@H](C[NH3+])Cc1ccccc1 ZINC000044808279 175256848 /nfs/dbraw/zinc/25/68/48/175256848.db2.gz BPBDOTCXGTVRNX-CQSZACIVSA-N 2 0 277.412 1.260 10 0 CDAERP CCC[NH+](CCC)CCC[C@](C)([NH2+]CC)C(N)=O ZINC000045378616 175367530 /nfs/dbraw/zinc/36/75/30/175367530.db2.gz XZWYVIJFMDRPQY-AWEZNQCLSA-N 2 0 257.422 1.742 10 0 CDAERP C[NH+](C)CC1CC[NH+](C[C@@](N)(CO)c2ccccc2)CC1 ZINC000070514259 175962880 /nfs/dbraw/zinc/96/28/80/175962880.db2.gz KDTVVEBLNYLPAC-QGZVFWFLSA-N 2 0 291.439 1.107 10 0 CDAERP C[NH2+][C@H]1CCN(C2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000071037884 176026577 /nfs/dbraw/zinc/02/65/77/176026577.db2.gz ZLSOJLHICPPWCA-INIZCTEOSA-N 2 0 287.407 1.471 10 0 CDAERP CCC[NH2+][C@@H]1CCN(CC[N@H+](C)C2CCCC2)C1=O ZINC000071043710 176029790 /nfs/dbraw/zinc/02/97/90/176029790.db2.gz WSBHDOPNKFSRSB-CQSZACIVSA-N 2 0 267.417 1.461 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)c1ccc(C[NH2+]C(C)(C)C)nn1 ZINC000071191690 176071832 /nfs/dbraw/zinc/07/18/32/176071832.db2.gz AXMOKBJBFZRYFN-CYBMUJFWSA-N 2 0 291.443 1.753 10 0 CDAERP CN(CCC[NH2+]C1CCCC1)C[C@@H]1CC[N@H+](C)C1 ZINC000071192211 176073257 /nfs/dbraw/zinc/07/32/57/176073257.db2.gz XVPWWCNVMIRIKB-AWEZNQCLSA-N 2 0 253.434 1.792 10 0 CDAERP [NH3+]Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000071263711 176096817 /nfs/dbraw/zinc/09/68/17/176096817.db2.gz MNCMUOPFEWQQJZ-MRXNPFEDSA-N 2 0 293.386 1.191 10 0 CDAERP C[NH+]1CCC(CNC2=[NH+]C[C@H](C3CC3)S2)CC1 ZINC000071307750 176116074 /nfs/dbraw/zinc/11/60/74/176116074.db2.gz BZCULZRBGLMLKT-GFCCVEGCSA-N 2 0 253.415 1.799 10 0 CDAERP CCCN(C(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)[C@@H]1CC[NH2+]C1 ZINC000071315107 176121477 /nfs/dbraw/zinc/12/14/77/176121477.db2.gz JENADLILWSWJMN-LJISPDSOSA-N 2 0 281.444 1.848 10 0 CDAERP C[N@H+](CCN1[C@@H]2CC[C@H]1CC([NH3+])C2)C1CCCC1 ZINC000071379320 176143416 /nfs/dbraw/zinc/14/34/16/176143416.db2.gz DZEZRFKOCQDIQW-LQDVMPOASA-N 2 0 251.418 1.815 10 0 CDAERP C[C@@H]([NH3+])[C@H](c1ccsc1)N1CC[NH+](CC(C)(C)O)CC1 ZINC000071380341 176144956 /nfs/dbraw/zinc/14/49/56/176144956.db2.gz AJOJZKBLYSSPQB-TZMCWYRMSA-N 2 0 297.468 1.525 10 0 CDAERP CC[C@H](CC[NH3+])CCC(=O)N[C@H](C)C[NH+](CC)CC ZINC000079212779 177448151 /nfs/dbraw/zinc/44/81/51/177448151.db2.gz YHHKZORTAFYBFB-KGLIPLIRSA-N 2 0 271.449 1.988 10 0 CDAERP C[C@@]1(C(=O)N2CCC([NH+]3CCCCC3)CC2)CCC[NH2+]1 ZINC000079518466 177513221 /nfs/dbraw/zinc/51/32/21/177513221.db2.gz QRLPWNIXGYBTSG-INIZCTEOSA-N 2 0 279.428 1.605 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000417932068 227219893 /nfs/dbraw/zinc/21/98/93/227219893.db2.gz MAAZHHCIAQJUKW-XSCHDIRWSA-N 2 0 296.459 1.404 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCCCCC[NH+]1CCCC1 ZINC000418213462 287628333 /nfs/dbraw/zinc/62/83/33/287628333.db2.gz HOZXCGHSQHWOLO-HUUCEWRRSA-N 2 0 296.459 1.550 10 0 CDAERP CCC[NH2+]C[C@@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001666621423 1173161714 /nfs/dbraw/zinc/16/17/14/1173161714.db2.gz YHNDFDMTNDBWAJ-QWHCGFSZSA-N 2 0 255.406 1.080 10 0 CDAERP c1cncc([C@@H]2C[NH2+]CCN2CC[C@@H]2CC[NH2+]C2)c1 ZINC000517567438 260193563 /nfs/dbraw/zinc/19/35/63/260193563.db2.gz OIKJMDZADVZAKO-ZFWWWQNUSA-N 2 0 260.385 1.028 10 0 CDAERP c1ccc(C[N@H+]2CCC[C@@H]2CN[C@H]2CC[NH2+]C2)cc1 ZINC000390581799 262223007 /nfs/dbraw/zinc/22/30/07/262223007.db2.gz JGEJVEKILAQMEN-JKSUJKDBSA-N 2 0 259.397 1.603 10 0 CDAERP C[C@]12COC[C@H]1C[N@H+](Cc1ccc3c(c1)C[NH2+]CC3)C2 ZINC000662310089 423943468 /nfs/dbraw/zinc/94/34/68/423943468.db2.gz GZKBIHILDHDZSZ-SJORKVTESA-N 2 0 272.392 1.801 10 0 CDAERP CN(C)C(=O)N(C)[C@@H]1CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000662317762 423950667 /nfs/dbraw/zinc/95/06/67/423950667.db2.gz RUBCGMQUVOEOMW-OAHLLOKOSA-N 2 0 296.459 1.454 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000652212180 424062106 /nfs/dbraw/zinc/06/21/06/424062106.db2.gz YSCSBAIEFWUYHP-ZDUSSCGKSA-N 2 0 270.421 1.001 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000652207397 424034581 /nfs/dbraw/zinc/03/45/81/424034581.db2.gz JNNDQBGYAZLHJK-HUUCEWRRSA-N 2 0 298.475 1.781 10 0 CDAERP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCCC1(C[NH3+])CC1 ZINC000652240985 424124539 /nfs/dbraw/zinc/12/45/39/424124539.db2.gz RWGGZGAUTZPHAF-ZDUSSCGKSA-N 2 0 282.432 1.097 10 0 CDAERP COC[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)CC1 ZINC000660758615 424097843 /nfs/dbraw/zinc/09/78/43/424097843.db2.gz UWBQXPQJQWHDQK-CABCVRRESA-N 2 0 272.433 1.436 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N(C)CCC[NH+](C)C ZINC000652288738 424194190 /nfs/dbraw/zinc/19/41/90/424194190.db2.gz WITUVTBXCQAPNG-UHFFFAOYSA-N 2 0 292.427 1.499 10 0 CDAERP C[C@@]1(c2cccc(F)c2)CC[N@H+](CCOCC[NH3+])C1 ZINC000652350095 424282284 /nfs/dbraw/zinc/28/22/84/424282284.db2.gz FMUFKGRDXGRRKO-OAHLLOKOSA-N 2 0 266.360 1.764 10 0 CDAERP CC(C)[NH+](CCNC(=O)c1cc(C(C)(C)[NH3+])no1)C(C)C ZINC000662661682 424287216 /nfs/dbraw/zinc/28/72/16/424287216.db2.gz TYKVGSUPEAIRDM-UHFFFAOYSA-N 2 0 296.415 1.717 10 0 CDAERP CCO[C@@H]1CN([C@@H](C)C(=O)N(C(C)C)C(C)C)C[C@H]1C[NH3+] ZINC000652357784 424305767 /nfs/dbraw/zinc/30/57/67/424305767.db2.gz ADAREORNUUVGSM-RRFJBIMHSA-N 2 0 299.459 1.316 10 0 CDAERP [NH3+]CCN(CCc1ccccc1)C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653139137 424356404 /nfs/dbraw/zinc/35/64/04/424356404.db2.gz UVFCMBVQHMXBQX-MRXNPFEDSA-N 2 0 289.423 1.406 10 0 CDAERP CC(C)([NH3+])c1cc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)on1 ZINC000662765816 424426303 /nfs/dbraw/zinc/42/63/03/424426303.db2.gz ISMHYANHBQSOCW-AXFHLTTASA-N 2 0 292.383 1.068 10 0 CDAERP C[C@@H](CC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1CCC[NH2+]C1 ZINC000655488511 424507853 /nfs/dbraw/zinc/50/78/53/424507853.db2.gz CEAKEUCEIUZENU-BYNSBNAKSA-N 2 0 281.444 1.469 10 0 CDAERP C[C@H]1CC[C@@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)CS1 ZINC000655763323 424478056 /nfs/dbraw/zinc/47/80/56/424478056.db2.gz NFGZTHJCHXHLAX-UONOGXRCSA-N 2 0 285.501 1.886 10 0 CDAERP CCC[C@](C)([NH3+])C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662972183 424579647 /nfs/dbraw/zinc/57/96/47/424579647.db2.gz JEFCUUZWGQJCLZ-HIFRSBDPSA-N 2 0 285.432 1.073 10 0 CDAERP CCCC[NH2+][C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C(C)C ZINC001667494280 1173275983 /nfs/dbraw/zinc/27/59/83/1173275983.db2.gz UXQNMGWKAVKHLM-LSDHHAIUSA-N 2 0 283.460 1.859 10 0 CDAERP COCC[NH2+][C@H](CNC(=O)C[NH+]1CCC(C)CC1)C(C)C ZINC001667502407 1173277486 /nfs/dbraw/zinc/27/74/86/1173277486.db2.gz FSIQJWXURGTTDJ-OAHLLOKOSA-N 2 0 299.459 1.095 10 0 CDAERP COC(=O)c1cnc([C@@H](C)[NH2+]CCCC[NH+](C)C)s1 ZINC000315132354 270325922 /nfs/dbraw/zinc/32/59/22/270325922.db2.gz KLOYHMAPDWQUGP-SNVBAGLBSA-N 2 0 285.413 1.922 10 0 CDAERP CC(C)[NH2+]CCCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000517019737 270506368 /nfs/dbraw/zinc/50/63/68/270506368.db2.gz JWYIAPKCNNMOEU-MCIONIFRSA-N 2 0 267.417 1.411 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000456542691 276260993 /nfs/dbraw/zinc/26/09/93/276260993.db2.gz DXNGTJVLBKZLJK-GJZGRUSLSA-N 2 0 281.444 1.804 10 0 CDAERP CC[NH+](CC)CC(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000377563102 276322934 /nfs/dbraw/zinc/32/29/34/276322934.db2.gz KXEMKGSNKLRDFY-VIFPVBQESA-N 2 0 282.413 1.239 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+]Cc1nc(C)ccc1O ZINC000350272548 276327871 /nfs/dbraw/zinc/32/78/71/276327871.db2.gz XMPYLSGACAMNHL-UHFFFAOYSA-N 2 0 281.400 1.544 10 0 CDAERP COC(=O)C1(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)CC1 ZINC000451066230 277049545 /nfs/dbraw/zinc/04/95/45/277049545.db2.gz CBNKCYJVOMDGBH-CQSZACIVSA-N 2 0 266.385 1.357 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC[C@H]2O)[C@H]2CCC[C@@H]21 ZINC000453393039 277171636 /nfs/dbraw/zinc/17/16/36/277171636.db2.gz ZOFXPPNEEUBPAX-XFIYOXNOSA-N 2 0 266.429 2.000 10 0 CDAERP C[NH2+]C[C@@H]1CCCN1C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000417530673 277276979 /nfs/dbraw/zinc/27/69/79/277276979.db2.gz ILHMCBYKRCUKAY-ZNMIVQPWSA-N 2 0 296.459 1.643 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000333446166 277393401 /nfs/dbraw/zinc/39/34/01/277393401.db2.gz WVZQVQJQEZFSPY-RBSFLKMASA-N 2 0 296.459 1.547 10 0 CDAERP CC(C)[NH+]1CCC(N(C)C(=O)[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000335532749 277582618 /nfs/dbraw/zinc/58/26/18/277582618.db2.gz FEGXRQIREBBCCF-ZFWWWQNUSA-N 2 0 281.444 1.706 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1COc2ccccc2C1 ZINC000336889777 277589871 /nfs/dbraw/zinc/58/98/71/277589871.db2.gz GOICZHJAXICTAL-KBPBESRZSA-N 2 0 264.369 1.334 10 0 CDAERP C[C@@H](CC[NH2+]CC1CCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001668309930 1173394411 /nfs/dbraw/zinc/39/44/11/1173394411.db2.gz OOMFXHZDNTZLFK-JSGCOSHPSA-N 2 0 267.417 1.223 10 0 CDAERP C1C[C@H]([C@H]2CCCC[C@H]2[NH2+]C2CC[NH2+]CC2)CO1 ZINC000423179624 277760863 /nfs/dbraw/zinc/76/08/63/277760863.db2.gz HPPUEIZHUGQSPF-NWANDNLSSA-N 2 0 252.402 1.923 10 0 CDAERP C[C@@H]1C[C@H](C[NH+]2CCC(C[NH+]3CCOCC3)CC2)CCO1 ZINC000352728990 278010781 /nfs/dbraw/zinc/01/07/81/278010781.db2.gz UMCCDLOHPJRUKT-NVXWUHKLSA-N 2 0 296.455 1.846 10 0 CDAERP C[C@@H](NC(=O)N1CC[NH+](CC2CCCCC2)CC1)[C@H](C)[NH3+] ZINC000418714472 278323297 /nfs/dbraw/zinc/32/32/97/278323297.db2.gz YPLAHRCGNGUORV-UONOGXRCSA-N 2 0 296.459 1.630 10 0 CDAERP CC(C)C[C@H](CO)[N@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000337313306 279168416 /nfs/dbraw/zinc/16/84/16/279168416.db2.gz GQFRKNCBTRFURB-QGZVFWFLSA-N 2 0 299.503 1.741 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415122071 279179025 /nfs/dbraw/zinc/17/90/25/279179025.db2.gz JKUFOTMCVUJGFG-PMPSAXMXSA-N 2 0 283.460 1.578 10 0 CDAERP CCN1CC[NH+](CCCC[NH2+][C@@H]2CC[C@@H]2SC)CC1 ZINC000425348882 279356455 /nfs/dbraw/zinc/35/64/55/279356455.db2.gz DWGQXRMTIBIUHT-CABCVRRESA-N 2 0 285.501 1.888 10 0 CDAERP CC(C)[C@H](C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)[NH+]1CCCCC1 ZINC000262803175 280179803 /nfs/dbraw/zinc/17/98/03/280179803.db2.gz ODHRECZMDDDJGX-RRFJBIMHSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000262617645 280281548 /nfs/dbraw/zinc/28/15/48/280281548.db2.gz ZJIZVCOSECERJK-RWMBFGLXSA-N 2 0 255.406 1.336 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000417860133 288322058 /nfs/dbraw/zinc/32/20/58/288322058.db2.gz XSRHAFSLRAWALH-MQYQWHSLSA-N 2 0 282.432 1.156 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC[NH2+]1 ZINC000262821782 288750203 /nfs/dbraw/zinc/75/02/03/288750203.db2.gz GVIHYGIOIVVXTK-KSTCHIGDSA-N 2 0 265.401 1.164 10 0 CDAERP C[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)COC(C)(C)C)C1 ZINC000246789767 289195653 /nfs/dbraw/zinc/19/56/53/289195653.db2.gz BKHXEGUSMFRXKN-STQMWFEESA-N 2 0 258.406 1.046 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)C1 ZINC000417852730 289298820 /nfs/dbraw/zinc/29/88/20/289298820.db2.gz OHDUPSHDCGHGOO-BPLDGKMQSA-N 2 0 294.443 1.395 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)[C@@H]2CCC[C@H]21 ZINC000423488315 290217891 /nfs/dbraw/zinc/21/78/91/290217891.db2.gz VGOFZGVVPYYBMK-YHUYYLMFSA-N 3 0 265.445 1.981 10 0 CDAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+]1CCC[C@H](C)C1 ZINC000561145826 293054797 /nfs/dbraw/zinc/05/47/97/293054797.db2.gz JZNSGOPTRWBMKV-RRFJBIMHSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)CN2CC(C)(C)C2)C1 ZINC000561195703 293061124 /nfs/dbraw/zinc/06/11/24/293061124.db2.gz LEXZRLKZYAYWOH-AWEZNQCLSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@H](NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)[C@@H]1CCC[NH2+]C1 ZINC000562814846 293203559 /nfs/dbraw/zinc/20/35/59/293203559.db2.gz KNGQBRWRCITJMV-LZWOXQAQSA-N 2 0 294.443 1.160 10 0 CDAERP CC[NH+](CC)CCCN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564572450 293374037 /nfs/dbraw/zinc/37/40/37/293374037.db2.gz WMDFYEJAXCIZLA-HNNXBMFYSA-N 3 0 253.434 1.794 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000564726192 293401249 /nfs/dbraw/zinc/40/12/49/293401249.db2.gz JXQMBIBQHISOJZ-WFASDCNBSA-N 2 0 287.407 1.712 10 0 CDAERP CC(C)=CCC[C@H](C)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000567228481 293738060 /nfs/dbraw/zinc/73/80/60/293738060.db2.gz VPJVRQZZBSKCAX-JKSUJKDBSA-N 2 0 283.460 1.319 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000567505141 293799462 /nfs/dbraw/zinc/79/94/62/293799462.db2.gz NMODTXJSDZDHAV-YRGRVCCFSA-N 2 0 253.390 1.118 10 0 CDAERP [NH3+]C1(c2noc(C3C[C@@H]4C[NH2+]C[C@H](C3)C4=O)n2)CCCC1 ZINC000567851978 293889964 /nfs/dbraw/zinc/88/99/64/293889964.db2.gz DBHBFXYPRMHNHY-FGWVZKOKSA-N 2 0 290.367 1.080 10 0 CDAERP [NH3+][C@@H](CC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccccc1 ZINC000567898198 293901893 /nfs/dbraw/zinc/90/18/93/293901893.db2.gz FCQAVNDULIAZHT-XHSDSOJGSA-N 2 0 287.407 1.535 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000569093031 294153677 /nfs/dbraw/zinc/15/36/77/294153677.db2.gz PPZOUBWSOINBCM-KBPBESRZSA-N 2 0 276.384 1.080 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000569093033 294153697 /nfs/dbraw/zinc/15/36/97/294153697.db2.gz PPZOUBWSOINBCM-UONOGXRCSA-N 2 0 276.384 1.080 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C3CCC3)C[C@H](C)C2)C1 ZINC000570982160 294346346 /nfs/dbraw/zinc/34/63/46/294346346.db2.gz BIXKSHPRNVQICY-CABCVRRESA-N 2 0 293.455 1.661 10 0 CDAERP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H]2CCCC2(C)C)CC1 ZINC000572993356 294732998 /nfs/dbraw/zinc/73/29/98/294732998.db2.gz ZQNYLCSNZVELKM-LSDHHAIUSA-N 2 0 283.460 1.011 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000574974792 295082381 /nfs/dbraw/zinc/08/23/81/295082381.db2.gz SEZTZFKQUQXJJM-MRXNPFEDSA-N 2 0 296.459 1.503 10 0 CDAERP C[C@H]1CCN(C(=O)CC2(C[NH3+])CCCCC2)[C@H](C[NH3+])C1 ZINC000261925422 299922412 /nfs/dbraw/zinc/92/24/12/299922412.db2.gz ZKEIZHNWKNMCDX-KBPBESRZSA-N 2 0 281.444 1.872 10 0 CDAERP [NH3+]C[C@H](NC(=O)[C@@H]1CC[C@@H]([NH3+])C1)C1CCCCC1 ZINC000262607250 295263639 /nfs/dbraw/zinc/26/36/39/295263639.db2.gz TVUYZEJCHODMHE-UPJWGTAASA-N 2 0 253.390 1.138 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000062034737 295303292 /nfs/dbraw/zinc/30/32/92/295303292.db2.gz NWNKIPSENVWFAS-HZPDHXFCSA-N 2 0 293.455 1.838 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000416824851 297106551 /nfs/dbraw/zinc/10/65/51/297106551.db2.gz PQZXXUVZEQFQAM-KGLIPLIRSA-N 2 0 296.459 1.548 10 0 CDAERP CCC[NH2+]CCCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001670276384 1173669391 /nfs/dbraw/zinc/66/93/91/1173669391.db2.gz YLQSQKFTSRAZHK-HUUCEWRRSA-N 2 0 281.444 1.851 10 0 CDAERP C[C@H]([NH2+]C[C@@](C)(O)C(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000566090778 316472392 /nfs/dbraw/zinc/47/23/92/316472392.db2.gz MJZWEZJHCXMATJ-LPEHRKFASA-N 2 0 254.296 1.277 10 0 CDAERP O=C(Cn1ccnc1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000576515113 317152955 /nfs/dbraw/zinc/15/29/55/317152955.db2.gz QDZAOEWFXQJDAH-UHFFFAOYSA-N 2 0 299.378 1.059 10 0 CDAERP CC(C)C[C@@H](C[NH3+])NC(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000578363398 323912089 /nfs/dbraw/zinc/91/20/89/323912089.db2.gz LTUKDEWDNVASRX-UONOGXRCSA-N 2 0 281.375 1.358 10 0 CDAERP FC1(F)CC[NH2+]C[C@H]1NC1CC[NH+](CC2CC2)CC1 ZINC000579087319 324099302 /nfs/dbraw/zinc/09/93/02/324099302.db2.gz NOWUCIRZRZEQNC-CYBMUJFWSA-N 2 0 273.371 1.448 10 0 CDAERP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Cn1cnc2c1CCCC2 ZINC000579220292 324130674 /nfs/dbraw/zinc/13/06/74/324130674.db2.gz JOEOQPUQYFYOIF-ZDUSSCGKSA-N 2 0 290.411 1.315 10 0 CDAERP CCOCC[C@H](O)C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000582900061 325065481 /nfs/dbraw/zinc/06/54/81/325065481.db2.gz AZLWSASJLYHKDG-NRXISQOPSA-N 2 0 270.417 1.380 10 0 CDAERP C[C@@H]1CN(C(=O)NCC2([NH3+])CCCCCC2)[C@@H](C)C[NH2+]1 ZINC000583014187 325088822 /nfs/dbraw/zinc/08/88/22/325088822.db2.gz JIWXUTVQIARMTB-OLZOCXBDSA-N 2 0 282.432 1.430 10 0 CDAERP CCOC(=O)CC1([NH2+]C[C@@H](O)C[N@H+](C)CC)CCCC1 ZINC000583151553 325118438 /nfs/dbraw/zinc/11/84/38/325118438.db2.gz BAXWCIYBSDCXHO-CYBMUJFWSA-N 2 0 286.416 1.155 10 0 CDAERP COCCN(C)C[C@@H](O)C[NH+]1CCC(C)(C2CC2)CC1 ZINC000583639209 325213774 /nfs/dbraw/zinc/21/37/74/325213774.db2.gz ZQYJEKXWTSKFQA-OAHLLOKOSA-N 2 0 284.444 1.438 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001698856547 1159118471 /nfs/dbraw/zinc/11/84/71/1159118471.db2.gz LIRIYXDRJSQZLY-LSDHHAIUSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)[NH2+]CCCCCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001691943624 1175653118 /nfs/dbraw/zinc/65/31/18/1175653118.db2.gz SIABUWWTZFXVBW-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CCCC[NH2+][C@H](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001267492870 1159414592 /nfs/dbraw/zinc/41/45/92/1159414592.db2.gz YVUPDLOOFJEPOO-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP [NH3+]C1(CC(=O)N2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000398035605 482215358 /nfs/dbraw/zinc/21/53/58/482215358.db2.gz MVAJHRVPHXIAFG-UHFFFAOYSA-N 2 0 265.401 1.202 10 0 CDAERP Cc1ccnc([C@H]2CCN(C[C@H](O)C[N@@H+](C)C(C)C)C2)c1 ZINC000660735335 482302844 /nfs/dbraw/zinc/30/28/44/482302844.db2.gz QCFORTZHFRROLB-JKSUJKDBSA-N 2 0 291.439 1.880 10 0 CDAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CCCC2(CC2)C1 ZINC000668302872 482363327 /nfs/dbraw/zinc/36/33/27/482363327.db2.gz SSFYSRUQHKFUOG-OAHLLOKOSA-N 2 0 295.471 1.909 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000227456733 482460642 /nfs/dbraw/zinc/46/06/42/482460642.db2.gz CNMDQUCBQYRKBB-KKUMJFAQSA-N 2 0 281.444 1.693 10 0 CDAERP CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652337237 482462690 /nfs/dbraw/zinc/46/26/90/482462690.db2.gz XVYJPGGCUWQGEV-HNNXBMFYSA-N 2 0 273.380 1.043 10 0 CDAERP C[C@H]([NH2+]C[C@H](CO)c1cccnc1)C1CC[NH+](C)CC1 ZINC000672618712 482495756 /nfs/dbraw/zinc/49/57/56/482495756.db2.gz WYLHAMOWXXJQKH-XJKSGUPXSA-N 2 0 277.412 1.477 10 0 CDAERP OC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000401077509 482532682 /nfs/dbraw/zinc/53/26/82/482532682.db2.gz MTOVPEVVKPDOIG-CAEXGNQWSA-N 2 0 252.402 1.515 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000669514094 482534502 /nfs/dbraw/zinc/53/45/02/482534502.db2.gz QLXRNLSJUHKYOD-ICCXJUOJSA-N 2 0 281.787 1.454 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCOC[C@@H]2CCOC2)[C@@H]2CCC[C@H]21 ZINC000671746783 482543110 /nfs/dbraw/zinc/54/31/10/482543110.db2.gz ITALDQGVHYDLME-FXUDXRNXSA-N 2 0 282.428 1.502 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC(=O)NC2CCCC2)[C@@H]2CCC[C@@H]21 ZINC000671751864 482639691 /nfs/dbraw/zinc/63/96/91/482639691.db2.gz XOALLUHTKZITTD-KKUMJFAQSA-N 2 0 279.428 1.508 10 0 CDAERP CO[C@H]1CCC[C@H]([NH2+]CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC000684385603 482785877 /nfs/dbraw/zinc/78/58/77/482785877.db2.gz YEXJAOJROZGRHU-GJZGRUSLSA-N 2 0 284.444 1.769 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000094460240 482789180 /nfs/dbraw/zinc/78/91/80/482789180.db2.gz CNMDQUCBQYRKBB-QLFBSQMISA-N 2 0 281.444 1.693 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)Cc1ccccn1 ZINC000656202070 482790507 /nfs/dbraw/zinc/79/05/07/482790507.db2.gz XLUPMEKYRCSIFC-GXTWGEPZSA-N 2 0 251.374 1.356 10 0 CDAERP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@](C)(O)CO ZINC000684535433 482870768 /nfs/dbraw/zinc/87/07/68/482870768.db2.gz MIINYQBQRDHHNR-QGZVFWFLSA-N 2 0 294.439 1.478 10 0 CDAERP C[N@H+](CCC(C)(C)C1CC1)CC(=O)N1CC[NH2+]CC1 ZINC000405961959 482876623 /nfs/dbraw/zinc/87/66/23/482876623.db2.gz BAEXALLXLNLIQG-UHFFFAOYSA-N 2 0 267.417 1.176 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000136493513 482919768 /nfs/dbraw/zinc/91/97/68/482919768.db2.gz SCMHFLCVZHXTHV-MGPQQGTHSA-N 2 0 267.417 1.303 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000167659539 482935140 /nfs/dbraw/zinc/93/51/40/482935140.db2.gz XPULIWQLIVNZMP-OAHLLOKOSA-N 2 0 273.380 1.359 10 0 CDAERP CC(C)[NH2+]CC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000037826181 483020208 /nfs/dbraw/zinc/02/02/08/483020208.db2.gz ITUVJQRBYYGQEU-UHFFFAOYSA-N 2 0 267.417 1.319 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000358852335 483023701 /nfs/dbraw/zinc/02/37/01/483023701.db2.gz GOYABASWFZJOHQ-IUODEOHRSA-N 2 0 295.402 1.715 10 0 CDAERP C[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089457910 483080940 /nfs/dbraw/zinc/08/09/40/483080940.db2.gz BGERSDPTQWQTGL-UONOGXRCSA-N 2 0 267.417 1.162 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000089461585 483088638 /nfs/dbraw/zinc/08/86/38/483088638.db2.gz HPVPTKYATTZMNI-DZGCQCFKSA-N 2 0 279.428 1.448 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000252571408 483115286 /nfs/dbraw/zinc/11/52/86/483115286.db2.gz BHKTWAULLYPDPU-BFHYXJOUSA-N 2 0 267.417 1.304 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000449346084 483201209 /nfs/dbraw/zinc/20/12/09/483201209.db2.gz YFKCXXWPUHJSCG-SYQHCUMBSA-N 2 0 267.417 1.493 10 0 CDAERP C[NH2+]C(C)(C)CNC(=O)Nc1cccc(C[NH3+])c1 ZINC000667723989 483402493 /nfs/dbraw/zinc/40/24/93/483402493.db2.gz QVVGFWDEKUUVJX-UHFFFAOYSA-N 2 0 250.346 1.265 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000136476558 483407491 /nfs/dbraw/zinc/40/74/91/483407491.db2.gz LOSMBKMVCWPLQS-WTUNAVPPSA-N 2 0 267.417 1.491 10 0 CDAERP CCN1CC[NH+](CCCC[NH2+][C@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667783892 483425466 /nfs/dbraw/zinc/42/54/66/483425466.db2.gz AKDSVCMWXVSXHL-IAGOWNOFSA-N 2 0 295.471 1.561 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH2+]Cc1nccs1 ZINC001483511838 1160932519 /nfs/dbraw/zinc/93/25/19/1160932519.db2.gz JWZBWKDDTPNGCE-UHFFFAOYSA-N 2 0 298.456 1.421 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@H](COCCC[NH+](C)C)O1 ZINC000052672631 519927285 /nfs/dbraw/zinc/92/72/85/519927285.db2.gz NINOQHBTHLNVGK-UONOGXRCSA-N 2 0 258.406 1.502 10 0 CDAERP CCC[NH2+][C@@H]1CCC[C@H]1N1CCN(CC[NH+](C)C)CC1 ZINC000061644032 520022856 /nfs/dbraw/zinc/02/28/56/520022856.db2.gz WPFUXVUBDBHYBR-HZPDHXFCSA-N 2 0 282.476 1.086 10 0 CDAERP CC[NH2+][C@@H](CCN1CCN(CC[NH+](C)C)CC1)C(C)(C)C ZINC000061653798 520088082 /nfs/dbraw/zinc/08/80/82/520088082.db2.gz KMDUDUOBUFRIPN-INIZCTEOSA-N 2 0 298.519 1.580 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000061272789 520163535 /nfs/dbraw/zinc/16/35/35/520163535.db2.gz NEJAICALWKCDDO-CQSZACIVSA-N 2 0 283.460 1.953 10 0 CDAERP CCCC[N@H+](CC)CCn1cc(C[NH2+]CC)nn1 ZINC000052418777 520478223 /nfs/dbraw/zinc/47/82/23/520478223.db2.gz AONUKGPPTWFNEC-UHFFFAOYSA-N 2 0 253.394 1.510 10 0 CDAERP C[NH2+]CC1(C[N@H+](C)C[C@H]2CCCCO2)CCOCC1 ZINC000052182403 521965168 /nfs/dbraw/zinc/96/51/68/521965168.db2.gz QHKPIEYBXKEVOA-CQSZACIVSA-N 2 0 270.417 1.504 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(c2nc(C)c(C[NH3+])s2)CC1 ZINC000055076525 522135984 /nfs/dbraw/zinc/13/59/84/522135984.db2.gz FTPIIDOQQFBSQE-SNVBAGLBSA-N 2 0 268.430 1.831 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)CC2CC2)CC[N@@H+]1C ZINC001731770819 1182565358 /nfs/dbraw/zinc/56/53/58/1182565358.db2.gz CJHBQZPERIYTCV-UONOGXRCSA-N 2 0 267.417 1.175 10 0 CDAERP C([NH2+]C1CC1)[C@@H]1CC[C@H](C[NH+]2CCN(C3CC3)CC2)O1 ZINC000052371400 518398782 /nfs/dbraw/zinc/39/87/82/518398782.db2.gz WDDZUVPHUURWQU-JKSUJKDBSA-N 2 0 279.428 1.066 10 0 CDAERP CC(C)[N@H+](C)CCCCNC(=O)[C@H]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000055139135 519614693 /nfs/dbraw/zinc/61/46/93/519614693.db2.gz KMPIFIHKEOPBPQ-ZNMIVQPWSA-N 2 0 283.460 1.987 10 0 CDAERP CC(C)[NH2+]CCCC(=O)N1CCC[C@H]1C[NH+](C)C ZINC000061645117 519720641 /nfs/dbraw/zinc/72/06/41/519720641.db2.gz UFGAAYITINQVAV-ZDUSSCGKSA-N 2 0 255.406 1.317 10 0 CDAERP CC(C)[NH2+]Cc1cccc(N2CC[NH+](C3CC3)CC2)n1 ZINC000051520857 519727169 /nfs/dbraw/zinc/72/71/69/519727169.db2.gz DBWUQCUCWZLLRF-UHFFFAOYSA-N 2 0 274.412 1.864 10 0 CDAERP CC(C)C[NH+]1CCN([C@@H](c2cnn(C)c2)[C@H](C)[NH3+])CC1 ZINC000055077023 519727468 /nfs/dbraw/zinc/72/74/68/519727468.db2.gz OFYCIKGWTKXYQH-DZGCQCFKSA-N 2 0 279.432 1.082 10 0 CDAERP CC(C)C[NH2+]CC1(C[N@@H+]2CCC[C@H](O)C2)CCOCC1 ZINC000052197502 519742879 /nfs/dbraw/zinc/74/28/79/519742879.db2.gz QQRMISBGSRAFHY-HNNXBMFYSA-N 2 0 284.444 1.486 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)C1CCC([NH3+])CC1 ZINC000049220819 519813962 /nfs/dbraw/zinc/81/39/62/519813962.db2.gz BQYAEFDLRSQDBG-BPCQOVAHSA-N 2 0 255.406 1.206 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@@H]2CC[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000055141552 519845725 /nfs/dbraw/zinc/84/57/25/519845725.db2.gz KYEPDZNDQYRRFX-KCQAQPDRSA-N 2 0 281.444 1.741 10 0 CDAERP CCC[NH+]1CCN(CC2(C[NH2+]C)CCOCC2)CC1 ZINC000052180610 519857779 /nfs/dbraw/zinc/85/77/79/519857779.db2.gz WRTIWVVBAXQVOB-UHFFFAOYSA-N 2 0 269.433 1.030 10 0 CDAERP CCCC1(C(=O)NCC[NH+]2CCCC2)CC[NH2+]CC1 ZINC000062848167 519887642 /nfs/dbraw/zinc/88/76/42/519887642.db2.gz BULMPZOITDDGSX-UHFFFAOYSA-N 2 0 267.417 1.368 10 0 CDAERP CC[NH2+]CCC(=O)NC[C@@H](C(CC)CC)[NH+](C)C ZINC000061298640 519916286 /nfs/dbraw/zinc/91/62/86/519916286.db2.gz LZVXMDPWOKIXHQ-ZDUSSCGKSA-N 2 0 257.422 1.469 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)N(CC[NH+](C)C)Cc1ccc(C)o1 ZINC000061266003 519933052 /nfs/dbraw/zinc/93/30/52/519933052.db2.gz LSFJLWOYOKVEAE-CYBMUJFWSA-N 2 0 295.427 1.724 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@H](C[N@H+](CCOC)[C@@H](C)COC)O1 ZINC000052572429 519956589 /nfs/dbraw/zinc/95/65/89/519956589.db2.gz DAXNNNLUCYNZKO-SOUVJXGZSA-N 2 0 288.432 1.127 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000061266227 519961534 /nfs/dbraw/zinc/96/15/34/519961534.db2.gz FHOZYACUBJMKGT-FUDCBSFHSA-N 2 0 267.417 1.221 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)NC[C@H](C(CC)CC)[NH+](C)C ZINC000061273746 520065103 /nfs/dbraw/zinc/06/51/03/520065103.db2.gz NHVFLNVGWZAAFS-GXTWGEPZSA-N 2 0 271.449 1.857 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)N1CC[NH+](CC(C)C)CC1 ZINC000061272630 520164943 /nfs/dbraw/zinc/16/49/43/520164943.db2.gz CZCBCKKZBOKXLO-CYBMUJFWSA-N 2 0 255.406 1.175 10 0 CDAERP CC[NH2+][C@](C)(CO)CCC[N@H+](C)CC1CC[NH+](C)CC1 ZINC000070336743 520232152 /nfs/dbraw/zinc/23/21/52/520232152.db2.gz KEQYSBGRJLJKNN-INIZCTEOSA-N 3 0 285.476 1.401 10 0 CDAERP CC[NH+](CC)CCNC(=O)[C@@H]1CC[C@@H](C)[C@H]([NH3+])C1 ZINC000055122958 520679290 /nfs/dbraw/zinc/67/92/90/520679290.db2.gz JBNTZHCCWDKTJS-JHJVBQTASA-N 2 0 255.406 1.208 10 0 CDAERP CC[NH+](CC)[C@H]1CCN([C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000062978020 520874277 /nfs/dbraw/zinc/87/42/77/520874277.db2.gz NDPAALRDLVAUEV-QLFBSQMISA-N 2 0 253.434 1.920 10 0 CDAERP CCC1(C(=O)N2CC[NH+](C3CCCC3)CC2)CC[NH2+]CC1 ZINC000062850296 521662846 /nfs/dbraw/zinc/66/28/46/521662846.db2.gz CVKMYHPYERCFCO-UHFFFAOYSA-N 2 0 293.455 1.853 10 0 CDAERP COCC[C@@H]([NH3+])C(=O)Nc1ccccc1C[NH+](C)C ZINC000052791707 521828655 /nfs/dbraw/zinc/82/86/55/521828655.db2.gz SCVDDEKSEHWNPL-GFCCVEGCSA-N 2 0 265.357 1.051 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1c1ccc(C(N)=[NH2+])cc1F ZINC000061644627 521844169 /nfs/dbraw/zinc/84/41/69/521844169.db2.gz FQTUBKYHYVWNFS-NSHDSACASA-N 2 0 264.348 1.640 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000061645073 521861085 /nfs/dbraw/zinc/86/10/85/521861085.db2.gz IUFFRHCVZOAMDQ-HUUCEWRRSA-N 2 0 275.396 1.629 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000061645030 521863713 /nfs/dbraw/zinc/86/37/13/521863713.db2.gz OSIWPZAUCANTDG-XGUBFFRZSA-N 2 0 279.428 1.460 10 0 CDAERP C[NH+](C)[C@@H]1CCN(CC[C@H]([NH3+])c2ccccc2F)C1 ZINC000062970013 522053911 /nfs/dbraw/zinc/05/39/11/522053911.db2.gz SEGNTXSZYZEWKH-DOMZBBRYSA-N 2 0 265.376 1.852 10 0 CDAERP C[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)Cc2ccccc2OC)O1 ZINC000052542300 522060106 /nfs/dbraw/zinc/06/01/06/522060106.db2.gz CLAFCAIRKBQKHO-LSDHHAIUSA-N 2 0 278.396 1.894 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(CC[C@@](C)([NH2+]C(C)C)C(N)=O)CC1 ZINC000055070600 522120398 /nfs/dbraw/zinc/12/03/98/522120398.db2.gz IAPWFVAGGACEPV-GDBMZVCRSA-N 2 0 298.475 1.035 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(CC[C@H]2CCCC[NH2+]2)CC1 ZINC000055066815 522122123 /nfs/dbraw/zinc/12/21/23/522122123.db2.gz XREVBAACGVPCJI-HUUCEWRRSA-N 2 0 253.434 1.935 10 0 CDAERP C[NH2+]Cc1cccc(CN2CC[NH+](C3CC3)CC2)c1 ZINC000052371285 522126358 /nfs/dbraw/zinc/12/63/58/522126358.db2.gz UVOORLFHPRFNNO-UHFFFAOYSA-N 2 0 259.397 1.686 10 0 CDAERP C[NH2+]Cc1nc(N2CCC[C@H]2C[NH+](C)C)ccc1Cl ZINC000061654356 522155814 /nfs/dbraw/zinc/15/58/14/522155814.db2.gz CSTCCDTUNPSJKP-NSHDSACASA-N 2 0 282.819 1.985 10 0 CDAERP C[NH2+][C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000052395769 522437397 /nfs/dbraw/zinc/43/73/97/522437397.db2.gz MATQXUOYVXRUHY-CYBMUJFWSA-N 2 0 275.396 1.375 10 0 CDAERP C[NH2+][C@H]1CCCC[C@H]1N1CC[NH+](CC(C)C)CC1 ZINC000055079243 522490303 /nfs/dbraw/zinc/49/03/03/522490303.db2.gz ZIOOSNRMUNKHJQ-LSDHHAIUSA-N 2 0 253.434 1.791 10 0 CDAERP CC[C@@H](CC[NH3+])N1CCC[N@H+](CCCn2ccnc2)CC1 ZINC000049327489 522496425 /nfs/dbraw/zinc/49/64/25/522496425.db2.gz UMXPCQBBEFHIFR-INIZCTEOSA-N 2 0 293.459 1.408 10 0 CDAERP CN(C[C@H]1CC[N@H+](C)C1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000069267527 523139791 /nfs/dbraw/zinc/13/97/91/523139791.db2.gz LXFAXNLMXAEXII-XJKSGUPXSA-N 2 0 259.397 1.714 10 0 CDAERP COCCC[N@H+](CCOC)Cc1ccoc1C[NH3+] ZINC000052543251 523258753 /nfs/dbraw/zinc/25/87/53/523258753.db2.gz ALAQYJQQZYTROB-UHFFFAOYSA-N 2 0 256.346 1.223 10 0 CDAERP C[NH+]1CCC(CNC(=O)C[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000055140214 523761752 /nfs/dbraw/zinc/76/17/52/523761752.db2.gz KWGKRCKGDGRCFJ-KBPBESRZSA-N 2 0 267.417 1.352 10 0 CDAERP COCC[N@H+]([C@@H](C)CC[NH2+]CC(C)C)[C@@H](C)COC ZINC000052572466 523780378 /nfs/dbraw/zinc/78/03/78/523780378.db2.gz YEORWJAEKZUTLQ-GJZGRUSLSA-N 2 0 274.449 1.994 10 0 CDAERP C[N@@H+]1CCCN(c2nc(C3CC3)c(C[NH3+])s2)CC1 ZINC000069146548 523811879 /nfs/dbraw/zinc/81/18/79/523811879.db2.gz NUOGQGHOPDMLSH-UHFFFAOYSA-N 2 0 266.414 1.621 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)C2CCC(C[NH3+])CC2)CC1 ZINC000055160892 523948249 /nfs/dbraw/zinc/94/82/49/523948249.db2.gz FLTVBKGWYPVMEH-NFOMZHRRSA-N 2 0 281.444 1.694 10 0 CDAERP CC[C@H](C)[NH+]1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000055066868 523953965 /nfs/dbraw/zinc/95/39/65/523953965.db2.gz LEWOOFSGJUSXRY-GJZGRUSLSA-N 2 0 253.434 1.792 10 0 CDAERP CC[C@H](C)[NH+]1CCN([C@H](C)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000055074962 523959464 /nfs/dbraw/zinc/95/94/64/523959464.db2.gz OUSHGDBBEZGCOK-XHSDSOJGSA-N 2 0 283.460 1.560 10 0 CDAERP C[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[C@H](CC[NH3+])C2)CC1 ZINC000055161519 524049297 /nfs/dbraw/zinc/04/92/97/524049297.db2.gz TXSQXIIGWHCWPV-GDBMZVCRSA-N 2 0 295.471 1.942 10 0 CDAERP C[NH+](C)CC1CCN(c2ccnc(C(N)=[NH2+])c2)CC1 ZINC000061814255 524050326 /nfs/dbraw/zinc/05/03/26/524050326.db2.gz HHFMBJVMWNCOOR-UHFFFAOYSA-N 2 0 261.373 1.144 10 0 CDAERP C[C@@H]1CCC[C@@H](C(=O)N(C)C2CC[NH+](C)CC2)[C@@H]1[NH3+] ZINC000055123268 524264646 /nfs/dbraw/zinc/26/46/46/524264646.db2.gz QEJILMXSICFNNH-MRVWCRGKSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)NCC1CC[NH+](C)CC1 ZINC000055140200 524414473 /nfs/dbraw/zinc/41/44/73/524414473.db2.gz JXDPWAOPWDGCIM-UBHSHLNASA-N 2 0 267.417 1.208 10 0 CDAERP Cc1cc(CN(C)C2CC[NH+](C)CC2)oc1C[NH3+] ZINC000052419861 524658723 /nfs/dbraw/zinc/65/87/23/524658723.db2.gz ZIOOCGXFCWVLAF-UHFFFAOYSA-N 2 0 251.374 1.573 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[N@H+](C)C2)CC[C@@H]1[NH3+] ZINC000055138492 524768324 /nfs/dbraw/zinc/76/83/24/524768324.db2.gz BHQKAIZBJLHKKB-XUXIUFHCSA-N 2 0 267.417 1.208 10 0 CDAERP C[C@@H]1C[C@@H]([NH3+])CC[C@@H]1C(=O)NCC[NH+]1CCCCC1 ZINC000055138405 525248102 /nfs/dbraw/zinc/24/81/02/525248102.db2.gz PHPJRJLDANXXJB-RDBSUJKOSA-N 2 0 267.417 1.352 10 0 CDAERP Cc1nnc(N2CCC[C@H]2C[NH+](C)C)c(C[NH3+])c1C ZINC000061641601 526358417 /nfs/dbraw/zinc/35/84/17/526358417.db2.gz KTIFVUYXMCNXCP-LBPRGKRZSA-N 2 0 263.389 1.083 10 0 CDAERP O=C(CC[C@@H]1CCCC[NH2+]1)N1CCC([NH+]2CCCC2)CC1 ZINC000050948609 526547200 /nfs/dbraw/zinc/54/72/00/526547200.db2.gz PYNPGIHDOGMVNK-HNNXBMFYSA-N 2 0 293.455 1.996 10 0 CDAERP Cc1nocc1C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000339299201 526689970 /nfs/dbraw/zinc/68/99/70/526689970.db2.gz LQYIGIWALFUNHP-UHFFFAOYSA-N 2 0 267.373 1.308 10 0 CDAERP NC(=O)CC1CC[NH+](CCC[C@@H]2CCC[NH2+]2)CC1 ZINC000052764503 526862763 /nfs/dbraw/zinc/86/27/63/526862763.db2.gz TWGXWDTVJSUTFU-ZDUSSCGKSA-N 2 0 253.390 1.106 10 0 CDAERP O=C1NCCCC[C@H]1[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063199852 527061162 /nfs/dbraw/zinc/06/11/62/527061162.db2.gz LTIHPZSLCLVIET-UONOGXRCSA-N 2 0 265.401 1.119 10 0 CDAERP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)C[C@H]12 ZINC000248637599 527367696 /nfs/dbraw/zinc/36/76/96/527367696.db2.gz QQJSNWGXOVTFBP-QAIIKZMUSA-N 2 0 277.412 1.103 10 0 CDAERP [NH3+][C@H]1CCCC[C@H]1C(=O)NCC[NH+]1CCCCC1 ZINC000055089891 527396382 /nfs/dbraw/zinc/39/63/82/527396382.db2.gz JNXRZYHVFSFUJM-OLZOCXBDSA-N 2 0 253.390 1.106 10 0 CDAERP Cn1ccnc1CC[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000052206239 527429007 /nfs/dbraw/zinc/42/90/07/527429007.db2.gz DFNZHVDTFKAIKN-CYBMUJFWSA-N 2 0 250.390 1.427 10 0 CDAERP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000422979371 534963301 /nfs/dbraw/zinc/96/33/01/534963301.db2.gz MLJJUIYKCXMUJU-BARDWOONSA-N 2 0 272.433 1.516 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000417751029 535449709 /nfs/dbraw/zinc/44/97/09/535449709.db2.gz ONWLEVSPRXMPCY-AWEZNQCLSA-N 2 0 282.432 1.145 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000233450403 535662665 /nfs/dbraw/zinc/66/26/65/535662665.db2.gz XRMPYXSUAGLKSN-MELADBBJSA-N 2 0 267.417 1.317 10 0 CDAERP C[NH+](C)CCOCCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000427090843 535896688 /nfs/dbraw/zinc/89/66/88/535896688.db2.gz BCFMDXPVYPFYJI-UHFFFAOYSA-N 2 0 299.459 1.193 10 0 CDAERP CCCN1CC[C@@H]([NH3+])C12CC[NH+](CC(C)C)CC2 ZINC000711957262 538140732 /nfs/dbraw/zinc/14/07/32/538140732.db2.gz QXJIDIMRIIVWDO-CQSZACIVSA-N 2 0 253.434 1.920 10 0 CDAERP C[C@@H]1CN(C[C@@H](O)C[N@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000730079341 574852365 /nfs/dbraw/zinc/85/23/65/574852365.db2.gz SMGWNTPOTWXMJO-WBVHZDCISA-N 2 0 291.439 1.115 10 0 CDAERP c1cn(-c2cc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)ccn2)cn1 ZINC000754796238 576916237 /nfs/dbraw/zinc/91/62/37/576916237.db2.gz UCXKUJXXIDSBSB-HZPDHXFCSA-N 2 0 297.406 1.984 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](CC)CC2CC2)CC[N@@H+]1C ZINC001689932871 1175314703 /nfs/dbraw/zinc/31/47/03/1175314703.db2.gz RENWHKQJTJTQLO-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[NH+]1CCC([NH2+]CCC[C@@H]2CCOC2=O)CC1 ZINC000872113995 620690701 /nfs/dbraw/zinc/69/07/01/620690701.db2.gz USHOXVLXJFVOBN-CYBMUJFWSA-N 2 0 268.401 1.792 10 0 CDAERP C[C@@H]1C[C@H](N[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CC[N@@H+]1C ZINC000925514460 617420778 /nfs/dbraw/zinc/42/07/78/617420778.db2.gz FNIAVOONFJPFMH-XJFOESAGSA-N 2 0 253.434 1.965 10 0 CDAERP CC[NH+]1CCC(CC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925519983 617431304 /nfs/dbraw/zinc/43/13/04/617431304.db2.gz WBPSYSSFDNJISO-LSDHHAIUSA-N 3 0 265.445 1.968 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000924551606 617447135 /nfs/dbraw/zinc/44/71/35/617447135.db2.gz FPHDSOWJYPRZMP-VMZNBEPHSA-N 2 0 288.391 1.888 10 0 CDAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccns1 ZINC000926204430 617519174 /nfs/dbraw/zinc/51/91/74/617519174.db2.gz VJKQPIPWSWGPKW-OLZOCXBDSA-N 2 0 282.457 1.820 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCC(=O)Nc2ccccn2)C1 ZINC000925597971 617542238 /nfs/dbraw/zinc/54/22/38/617542238.db2.gz RRBFQCBMFXBUQN-STQMWFEESA-N 2 0 290.411 1.906 10 0 CDAERP CNC(=O)C(C)(C)C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925606309 617548612 /nfs/dbraw/zinc/54/86/12/617548612.db2.gz IWCJSIKMGINZKJ-KBPBESRZSA-N 2 0 281.444 1.517 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccco1 ZINC000925857302 617896702 /nfs/dbraw/zinc/89/67/02/617896702.db2.gz SKUVYTVBWWZFFI-RYUDHWBXSA-N 2 0 278.352 1.616 10 0 CDAERP CCn1cccc(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)c1=O ZINC000925654745 617597234 /nfs/dbraw/zinc/59/72/34/617597234.db2.gz CKQWXQIZSANMBB-KBPBESRZSA-N 2 0 277.412 1.864 10 0 CDAERP CO[C@@H](C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)C1CC1 ZINC000925676112 617637754 /nfs/dbraw/zinc/63/77/54/617637754.db2.gz PMZGSPZWXUGOLC-ZOBORPQBSA-N 2 0 252.402 1.778 10 0 CDAERP O[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)C1CCC1 ZINC000925694575 617712498 /nfs/dbraw/zinc/71/24/98/617712498.db2.gz UTMMSMUHPXFFGR-BZUAXINKSA-N 2 0 266.429 1.905 10 0 CDAERP C[NH+]1C[C@@]2(C)CN(C[C@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC000931319774 617717617 /nfs/dbraw/zinc/71/76/17/617717617.db2.gz ZAVGKPPZJZRTNZ-ILXRZTDVSA-N 2 0 251.418 1.354 10 0 CDAERP COCC1(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC[NH2+]CC1 ZINC000925698116 617734311 /nfs/dbraw/zinc/73/43/11/617734311.db2.gz BXNRTLOCCVYQTC-KGLIPLIRSA-N 3 0 283.460 1.498 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000926290356 617760005 /nfs/dbraw/zinc/76/00/05/617760005.db2.gz MWMVJWGIFOAQNA-NUCGDHGJSA-N 2 0 277.456 1.933 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@@H]2CC[C@H]2C2CCC2)CC1 ZINC000925816918 617772048 /nfs/dbraw/zinc/77/20/48/617772048.db2.gz LNULJGRXEUXVSV-LSDHHAIUSA-N 2 0 251.418 1.578 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@H]2CC[C@H]2C2CCC2)CC1 ZINC000925816916 617772210 /nfs/dbraw/zinc/77/22/10/617772210.db2.gz LNULJGRXEUXVSV-GJZGRUSLSA-N 2 0 251.418 1.578 10 0 CDAERP CCn1nncc1C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925720711 617843886 /nfs/dbraw/zinc/84/38/86/617843886.db2.gz HSUWLUPXQZXPNX-WDEREUQCSA-N 2 0 251.378 1.294 10 0 CDAERP C[NH+](C)CC[C@H](N[C@H]1CCC[C@H]1C[NH3+])c1cccnc1 ZINC000925828364 617844815 /nfs/dbraw/zinc/84/48/15/617844815.db2.gz WVZVROIBMPKVPZ-BPUTZDHNSA-N 2 0 276.428 1.791 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000925835628 617864272 /nfs/dbraw/zinc/86/42/72/617864272.db2.gz UWBHMJLRKWWVMN-TUAOUCFPSA-N 2 0 298.349 1.830 10 0 CDAERP C[C@H]1C[C@H](NC[C@]23CCC[C@H]2[NH2+]CC3)CC[N@@H+]1C ZINC000925840405 617871470 /nfs/dbraw/zinc/87/14/70/617871470.db2.gz AAOYFNXEMXMMGR-GBJTYRQASA-N 2 0 251.418 1.591 10 0 CDAERP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925842231 617873008 /nfs/dbraw/zinc/87/30/08/617873008.db2.gz YWYMNDXPCGWLQV-NUEKZKHPSA-N 2 0 274.412 1.919 10 0 CDAERP [NH3+]CC[C@@H]1CCCCN1C(=O)C=C1CC[NH2+]CC1 ZINC000852880699 617992108 /nfs/dbraw/zinc/99/21/08/617992108.db2.gz OFFGXBLTAJVJCB-ZDUSSCGKSA-N 2 0 251.374 1.026 10 0 CDAERP CCn1nc(C)c([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)n1 ZINC000924962226 618443834 /nfs/dbraw/zinc/44/38/34/618443834.db2.gz DDOBSRBFAMZIJC-LLVKDONJSA-N 2 0 265.405 1.599 10 0 CDAERP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccns1 ZINC000924964737 618467788 /nfs/dbraw/zinc/46/77/88/618467788.db2.gz CLDIKTSCBVVOEF-CYBMUJFWSA-N 2 0 282.457 1.821 10 0 CDAERP C[C@@H](C[NH2+]C1CC2(C1)COC(C)(C)C2)N1CC[NH+](C)CC1 ZINC000924967884 618488249 /nfs/dbraw/zinc/48/82/49/618488249.db2.gz ZUPWTPUKTOUUPR-UQPPLGOBSA-N 2 0 295.471 1.560 10 0 CDAERP CC(C)[N@H+](C)CCN[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000924904318 618738374 /nfs/dbraw/zinc/73/83/74/618738374.db2.gz QBOUXSZECMJOPA-GJZGRUSLSA-N 2 0 253.434 1.933 10 0 CDAERP COC(=O)[C@H]1[C@H](C[NH2+]CCCC[N@H+](C)C2CC2)C1(F)F ZINC000894965699 619164812 /nfs/dbraw/zinc/16/48/12/619164812.db2.gz GJCBVDXWQNLHFI-NWDGAFQWSA-N 2 0 290.354 1.505 10 0 CDAERP CC[C@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)C(=O)OC ZINC000895126850 619321310 /nfs/dbraw/zinc/32/13/10/619321310.db2.gz DGIBBTIRFRPNTF-GFCCVEGCSA-N 2 0 288.351 1.556 10 0 CDAERP CO[C@@]1(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)CCOC1 ZINC000895557462 619726192 /nfs/dbraw/zinc/72/61/92/619726192.db2.gz QYEBDFWUTVMFCL-GOEBONIOSA-N 2 0 291.395 1.398 10 0 CDAERP O=C(N1CCC[C@H]1C[NH+]1CCCC1)[C@@]12CC[N@H+](C1)CCC2 ZINC000896181347 620019782 /nfs/dbraw/zinc/01/97/82/620019782.db2.gz KSLIOWZXWQCZSG-RDJZCZTQSA-N 2 0 291.439 1.559 10 0 CDAERP CC(C)[C@@H](CNC(=[NH2+])N[C@H](C)C1CC1)N1CC[NH+](C)CC1 ZINC000899266915 622127641 /nfs/dbraw/zinc/12/76/41/622127641.db2.gz ZAWCDTAGTKNLPB-UKRRQHHQSA-N 2 0 295.475 1.171 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)NC2CCC(C)([NH+](C)C)CC2)CC[N@@H+]1C ZINC000923902675 622411937 /nfs/dbraw/zinc/41/19/37/622411937.db2.gz PJUPSLRSGMAUFX-RXFTYZNJSA-N 2 0 296.459 1.641 10 0 CDAERP C[C@H](NC(=O)C12CC[NH+](CC1)C2)C(C)(C)C[NH+](C)C ZINC000900834530 623550873 /nfs/dbraw/zinc/55/08/73/623550873.db2.gz YPJVYAKKBRNXGQ-LBPRGKRZSA-N 2 0 267.417 1.175 10 0 CDAERP O=C(N1CC[C@@H](C[NH+]2CCCCC2)C1)C12CC[NH+](CC1)C2 ZINC000900856273 623572304 /nfs/dbraw/zinc/57/23/04/623572304.db2.gz YREFCSHBTIZHSQ-HNNXBMFYSA-N 2 0 291.439 1.417 10 0 CDAERP CC(C)C[C@H]([NH2+]C[C@]1(O)CCN(C)C1)C1CCOCC1 ZINC000902954292 625689898 /nfs/dbraw/zinc/68/98/98/625689898.db2.gz UTILZAPOUNLRHS-JKSUJKDBSA-N 2 0 284.444 1.484 10 0 CDAERP CC(C)C(=O)N1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903432434 625990235 /nfs/dbraw/zinc/99/02/35/625990235.db2.gz BQBHLTATFNSEOR-KGLIPLIRSA-N 2 0 267.417 1.304 10 0 CDAERP C[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H](C(F)(F)F)O1 ZINC000903439517 625992044 /nfs/dbraw/zinc/99/20/44/625992044.db2.gz JJEXZTFJBXGKHJ-CHWFTXMASA-N 2 0 266.307 1.765 10 0 CDAERP C[N@@H+](CC(=O)NCc1ccccc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903438985 625992114 /nfs/dbraw/zinc/99/21/14/625992114.db2.gz AJBUYKYQNMHSQL-CABCVRRESA-N 2 0 275.396 1.362 10 0 CDAERP COC(=O)CCCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903481805 626006355 /nfs/dbraw/zinc/00/63/55/626006355.db2.gz NIKXMSWWCUFYML-GFCCVEGCSA-N 2 0 254.374 1.594 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000903482407 626006835 /nfs/dbraw/zinc/00/68/35/626006835.db2.gz GOSULFLEHSFXCF-KFWWJZLASA-N 2 0 274.412 1.448 10 0 CDAERP CCOC(=O)CCCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903484184 626007102 /nfs/dbraw/zinc/00/71/02/626007102.db2.gz PDBQZTJIFQDKQU-ZDUSSCGKSA-N 2 0 268.401 1.984 10 0 CDAERP CCCCOCCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903510521 626012834 /nfs/dbraw/zinc/01/28/34/626012834.db2.gz RUUZERYGUUOSFB-CALCHBBNSA-N 2 0 295.471 1.704 10 0 CDAERP [NH3+][C@@H]1CN(CCC2CC[NH2+]CC2)CC[C@H]1C(F)(F)F ZINC000903542123 626016253 /nfs/dbraw/zinc/01/62/53/626016253.db2.gz ZHKLKLMEPQRXEM-VXGBXAGGSA-N 2 0 279.350 1.588 10 0 CDAERP FC(F)(F)[C@@H]1CCC[C@@H](CN2C[C@H]3C[NH2+]C[C@H]3C2)O1 ZINC000903746671 626070955 /nfs/dbraw/zinc/07/09/55/626070955.db2.gz KLMJKRYKHBISMC-USZNOCQGSA-N 2 0 278.318 1.638 10 0 CDAERP C(C[N@H+](CC1CC1)C[C@H]1CCCC[NH2+]C1)N1CCOCC1 ZINC000903767619 626085530 /nfs/dbraw/zinc/08/55/30/626085530.db2.gz XWTRCVQSDIZOII-KRWDZBQOSA-N 2 0 295.471 1.420 10 0 CDAERP CN(Cc1nnc2n1CCC2)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903878624 626130141 /nfs/dbraw/zinc/13/01/41/626130141.db2.gz JVIYWYLDUUBEDE-YHWZYXNKSA-N 2 0 275.400 1.187 10 0 CDAERP COC(=O)[C@H]1CC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000903883946 626132316 /nfs/dbraw/zinc/13/23/16/626132316.db2.gz MUZQJRVHNFUAPD-AWEZNQCLSA-N 2 0 274.364 1.327 10 0 CDAERP O=S1(=O)CC[C@@H]([N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CC2)C1 ZINC000903884068 626132462 /nfs/dbraw/zinc/13/24/62/626132462.db2.gz QJMHJDCHOQMGAL-VYHDIPPYSA-N 2 0 298.452 1.169 10 0 CDAERP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000903898686 626137653 /nfs/dbraw/zinc/13/76/53/626137653.db2.gz NHDZPCVMMDWUKB-OLMTUDMXSA-N 2 0 282.453 1.723 10 0 CDAERP COCC1(C[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]CC1 ZINC000903920367 626146628 /nfs/dbraw/zinc/14/66/28/626146628.db2.gz UGLVOOMTFPOGKS-GOOCMWNKSA-N 3 0 281.444 1.123 10 0 CDAERP COC(=O)CC1([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903931409 626151770 /nfs/dbraw/zinc/15/17/70/626151770.db2.gz CVRJZYXXQOABEH-YOGCLGLASA-N 2 0 252.358 1.202 10 0 CDAERP CC1(C)OC[C@H]2C[C@]21[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903936170 626154735 /nfs/dbraw/zinc/15/47/35/626154735.db2.gz YVRGWRFKEZDDMD-QTFMQBAUSA-N 2 0 250.386 1.674 10 0 CDAERP COC[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CCCOC1 ZINC000903959676 626159229 /nfs/dbraw/zinc/15/92/29/626159229.db2.gz MGWWIISSRGZWJD-FQUUOJAGSA-N 2 0 256.390 1.288 10 0 CDAERP COC[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCOC1 ZINC000903959520 626159479 /nfs/dbraw/zinc/15/94/79/626159479.db2.gz JHIJPSAXDGMOFM-KMVIYXDESA-N 2 0 282.428 1.548 10 0 CDAERP [NH3+]Cc1nc2c(s1)CCN(C1CCC([NH3+])CC1)C2 ZINC000903945784 626163176 /nfs/dbraw/zinc/16/31/76/626163176.db2.gz ZQIIHMDRCMOVQL-UHFFFAOYSA-N 2 0 266.414 1.230 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(C(=O)NC2CC2)cc1 ZINC000903964876 626171458 /nfs/dbraw/zinc/17/14/58/626171458.db2.gz SYLHVKXEAGUIEF-DOMZBBRYSA-N 2 0 287.407 1.524 10 0 CDAERP COc1cccc(C[C@@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000903967483 626172289 /nfs/dbraw/zinc/17/22/89/626172289.db2.gz JYLBLSQBESXKMF-UPJWGTAASA-N 2 0 263.385 1.466 10 0 CDAERP C[C@@H]1C[C@H](C[NH+]2CCC([C@@]3(C)COC(=O)N3)CC2)CC[NH2+]1 ZINC000903986522 626174558 /nfs/dbraw/zinc/17/45/58/626174558.db2.gz LKYWYDAXZDZMIF-XJKCOSOUSA-N 2 0 295.427 1.585 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCS1 ZINC000905042341 626381796 /nfs/dbraw/zinc/38/17/96/626381796.db2.gz OKKGXCBULPWGLL-CHWSQXEVSA-N 2 0 284.473 1.870 10 0 CDAERP C[N@@H+]1CCC[C@H](CNC(=[NH2+])NC[C@H]2CCCS2)C1 ZINC000905043491 626382371 /nfs/dbraw/zinc/38/23/71/626382371.db2.gz VPJVTLHSSATPCB-VXGBXAGGSA-N 2 0 270.446 1.338 10 0 CDAERP C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)C[C@H]2C1 ZINC000907804465 627830837 /nfs/dbraw/zinc/83/08/37/627830837.db2.gz FZINBKKCSXUIFB-LXTVHRRPSA-N 2 0 277.412 1.023 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)C1 ZINC000911582398 629339469 /nfs/dbraw/zinc/33/94/69/629339469.db2.gz PNKYSPREZUGSOV-OAGGEKHMSA-N 2 0 293.455 1.851 10 0 CDAERP CN(CCC(=O)N1CC([NH+]2CCCC2)C1)c1cc[nH+]cc1 ZINC000912325195 629937054 /nfs/dbraw/zinc/93/70/54/629937054.db2.gz RMJSMWGQCBLMTO-UHFFFAOYSA-N 2 0 288.395 1.215 10 0 CDAERP C/C(Cl)=C/C(=O)NCCN(C)CCC[NH+](C)C ZINC000912387615 629969962 /nfs/dbraw/zinc/96/99/62/629969962.db2.gz QGMMVELJBRATKF-KHPPLWFESA-N 2 0 261.797 1.129 10 0 CDAERP CC(C)[NH+]1CCC([N@H+](C)C[C@@H](O)CCC2(O)CCC2)CC1 ZINC000929470299 630649715 /nfs/dbraw/zinc/64/97/15/630649715.db2.gz LAHQNXYGJQOZKT-INIZCTEOSA-N 2 0 298.471 1.847 10 0 CDAERP CC(C)[NH+]1CCC([N@H+](C)CCO[C@@H]2CCOC2)CC1 ZINC000929471899 630650397 /nfs/dbraw/zinc/65/03/97/630650397.db2.gz ZCWGKULJJMOJKN-OAHLLOKOSA-N 2 0 270.417 1.597 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001691071677 1158888091 /nfs/dbraw/zinc/88/80/91/1158888091.db2.gz MYGGDDJULWTNGN-ILNYKDOHSA-N 2 0 293.455 1.827 10 0 CDAERP CC/C=C\CC[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001480878755 1158559334 /nfs/dbraw/zinc/55/93/34/1158559334.db2.gz HXSLBLBLBLFEKO-YVACAVLKSA-N 2 0 281.444 1.875 10 0 CDAERP c1ccc(C[C@H]2CC[N@@H+](C[C@H]3CC4(C[NH2+]C4)CO3)C2)cc1 ZINC001772526441 1158639055 /nfs/dbraw/zinc/63/90/55/1158639055.db2.gz IIUPGZYBRJPDPU-IAGOWNOFSA-N 2 0 286.419 1.930 10 0 CDAERP CC(C)=CC[NH+]1CC[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001691165947 1158941766 /nfs/dbraw/zinc/94/17/66/1158941766.db2.gz JSHNHTLURKWISS-HOTGVXAUSA-N 2 0 293.455 1.733 10 0 CDAERP C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)C[NH2+]CCF ZINC001698755429 1159032645 /nfs/dbraw/zinc/03/26/45/1159032645.db2.gz ORISWIILGPMIRD-ZDUSSCGKSA-N 2 0 285.407 1.174 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCOCC)C1 ZINC001267743189 1159585141 /nfs/dbraw/zinc/58/51/41/1159585141.db2.gz MZLQMRUYSLWULQ-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CCCC[NH2+]C[C@H](C)N(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001271206886 1160312827 /nfs/dbraw/zinc/31/28/27/1160312827.db2.gz KESKHONGCHVAGD-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1nccs1 ZINC001409459962 1160831323 /nfs/dbraw/zinc/83/13/23/1160831323.db2.gz HYCWRGLTRLMKGF-NEPJUHHUSA-N 2 0 298.456 1.466 10 0 CDAERP CC[NH+]1CCC(C)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001484137143 1161255315 /nfs/dbraw/zinc/25/53/15/1161255315.db2.gz VXYBTXRXBYUOFU-HNNXBMFYSA-N 2 0 293.455 1.566 10 0 CDAERP CCN1CC[C@@H]1C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC001634074637 1166468353 /nfs/dbraw/zinc/46/83/53/1166468353.db2.gz RIMBMGXYAFRISP-CHWSQXEVSA-N 2 0 253.390 1.023 10 0 CDAERP OCCCOCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000354038351 1167337547 /nfs/dbraw/zinc/33/75/47/1167337547.db2.gz KTYOZLNOSMDKQS-UHFFFAOYSA-N 2 0 284.444 1.772 10 0 CDAERP CC(C)[N@H+](C)CCOCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001566061286 1168223949 /nfs/dbraw/zinc/22/39/49/1168223949.db2.gz CDXCYFJQQOBCLB-UHFFFAOYSA-N 2 0 299.459 1.143 10 0 CDAERP CCCCC[N@H+](C)CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001566454481 1168284686 /nfs/dbraw/zinc/28/46/86/1168284686.db2.gz XISSNJNLZWHQEW-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP CCC[NH2+][C@H]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001566842220 1168440785 /nfs/dbraw/zinc/44/07/85/1168440785.db2.gz PICIZTWGOIVYAL-HZSPNIEDSA-N 2 0 267.417 1.508 10 0 CDAERP CCCCC[NH2+][C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001567071606 1168546875 /nfs/dbraw/zinc/54/68/75/1168546875.db2.gz UKZAIICTUQYHBN-CYBMUJFWSA-N 2 0 267.417 1.367 10 0 CDAERP CC/C=C\CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001567102854 1168562689 /nfs/dbraw/zinc/56/26/89/1168562689.db2.gz RJFNTUOWOXOKJD-AWFCHZOYSA-N 2 0 293.455 1.875 10 0 CDAERP CN(CC[NH2+]CCC1CC1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001567496582 1168814149 /nfs/dbraw/zinc/81/41/49/1168814149.db2.gz QJZSIAJLPUEWAX-OAHLLOKOSA-N 2 0 279.428 1.176 10 0 CDAERP CCCCCC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001567899428 1169049102 /nfs/dbraw/zinc/04/91/02/1169049102.db2.gz QWXIDEQIVBAXKB-OAHLLOKOSA-N 2 0 293.455 1.853 10 0 CDAERP CCCCC[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001662415313 1172545456 /nfs/dbraw/zinc/54/54/56/1172545456.db2.gz SOHKUPNAUJZASH-OLZOCXBDSA-N 2 0 255.406 1.223 10 0 CDAERP COCC[NH2+][C@H](C)CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001662994638 1172625282 /nfs/dbraw/zinc/62/52/82/1172625282.db2.gz MMEJGYUGBKYNNR-CQSZACIVSA-N 2 0 299.459 1.238 10 0 CDAERP C[NH+](C)CCCCC(=O)NC1C[NH+](CCC2CC2)C1 ZINC001665220232 1172963391 /nfs/dbraw/zinc/96/33/91/1172963391.db2.gz NJWFLNLMZPBCNZ-UHFFFAOYSA-N 2 0 267.417 1.319 10 0 CDAERP Cc1nc[nH]c1CC(=O)NC[C@@H](C)C[NH2+]CC[C@H](C)F ZINC001666657411 1173167931 /nfs/dbraw/zinc/16/79/31/1173167931.db2.gz ZTHZFZFNMWQXNY-QWRGUYRKSA-N 2 0 284.379 1.351 10 0 CDAERP CC[NH2+]CC[C@H](C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001668215255 1173382507 /nfs/dbraw/zinc/38/25/07/1173382507.db2.gz ZDVVNGIWMDMNIC-WFASDCNBSA-N 2 0 287.423 1.703 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1cscn1)[NH+](C)C ZINC001668278357 1173391822 /nfs/dbraw/zinc/39/18/22/1173391822.db2.gz GAVTYWBBQQQOQK-DGCLKSJQSA-N 2 0 298.456 1.468 10 0 CDAERP CCCC[NH2+][C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001690168711 1175392316 /nfs/dbraw/zinc/39/23/16/1175392316.db2.gz KZJMNPRASVBIQL-UKRRQHHQSA-N 2 0 281.444 1.613 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CCCCC[C@H]([NH2+]CCCF)C2)C1 ZINC001692334847 1175739452 /nfs/dbraw/zinc/73/94/52/1175739452.db2.gz ZRAFQQUIVQWYMF-GJZGRUSLSA-N 2 0 299.434 1.659 10 0 CDAERP CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001698589088 1175859110 /nfs/dbraw/zinc/85/91/10/1175859110.db2.gz YDKPTGHQTOJMMQ-UONOGXRCSA-N 2 0 269.433 1.659 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[NH2+]CCCF ZINC001698597808 1175865561 /nfs/dbraw/zinc/86/55/61/1175865561.db2.gz TWUDZAFDMICDLS-KBPBESRZSA-N 2 0 287.423 1.703 10 0 CDAERP C[C@@H](C[NH2+]CCCF)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001698861822 1175968161 /nfs/dbraw/zinc/96/81/61/1175968161.db2.gz SEUDGHBAGQCNKO-AWEZNQCLSA-N 2 0 287.423 1.659 10 0 CDAERP CCCCC[NH2+]C/C=C/CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001699259104 1176184135 /nfs/dbraw/zinc/18/41/35/1176184135.db2.gz JSNSLRKNROKHPV-JFDDCEBESA-N 2 0 293.455 1.780 10 0 CDAERP CC(C)C[NH2+]C/C=C/CNC(=O)C[NH+]1CCC(C)CC1 ZINC001699325314 1176230264 /nfs/dbraw/zinc/23/02/64/1176230264.db2.gz WTZYDDMAHJWJAC-SNAWJCMRSA-N 2 0 281.444 1.636 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+]Cc2ccsc2)C1 ZINC001699343008 1176277848 /nfs/dbraw/zinc/27/78/48/1176277848.db2.gz VOACNEVEEVSHQG-HSWBROFVSA-N 2 0 293.436 1.462 10 0 CDAERP CCCCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001699671988 1176565109 /nfs/dbraw/zinc/56/51/09/1176565109.db2.gz NUPFLXWFXOZFQC-CYBMUJFWSA-N 2 0 267.417 1.367 10 0 CDAERP CC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001699970198 1176701867 /nfs/dbraw/zinc/70/18/67/1176701867.db2.gz AUKHBLXJNJNSTK-OLZOCXBDSA-N 2 0 255.406 1.032 10 0 CDAERP CCC[NH+]1CCC(CO)(NC(=O)CCCC[NH+](C)C)CC1 ZINC001700339812 1176856359 /nfs/dbraw/zinc/85/63/59/1176856359.db2.gz ZMSSRSAEHOQKDR-UHFFFAOYSA-N 2 0 299.459 1.071 10 0 CDAERP CCCC[C@H](C[NH2+]CCF)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001700520837 1176992990 /nfs/dbraw/zinc/99/29/90/1176992990.db2.gz AVKVDLHBXIJKSY-CHWSQXEVSA-N 2 0 273.396 1.172 10 0 CDAERP CC(C)CC[NH2+]C1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001701025913 1177245715 /nfs/dbraw/zinc/24/57/15/1177245715.db2.gz DLZCVZLFSCOENJ-UHFFFAOYSA-N 2 0 269.433 1.563 10 0 CDAERP CC[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)CCC1CC1 ZINC001707462385 1178060685 /nfs/dbraw/zinc/06/06/85/1178060685.db2.gz YCUCGASDVIJHEJ-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CCC[C@H]1C[NH2+]C/C=C/Cl ZINC001723975601 1178136358 /nfs/dbraw/zinc/13/63/58/1178136358.db2.gz CMBGPWDPEJNTGH-BPJJOFIESA-N 2 0 285.819 1.415 10 0 CDAERP COC[C@H](C)[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001712967492 1178273593 /nfs/dbraw/zinc/27/35/93/1178273593.db2.gz ITSQDEJHJGYDRI-KKUMJFAQSA-N 2 0 299.459 1.190 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C[C@H](C)OC ZINC001713013360 1178304070 /nfs/dbraw/zinc/30/40/70/1178304070.db2.gz URIXOIIRRDRMES-RRFJBIMHSA-N 2 0 299.459 1.190 10 0 CDAERP CCCC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001713344086 1178511369 /nfs/dbraw/zinc/51/13/69/1178511369.db2.gz HTSMOXWUOKGFCU-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001713472601 1178589424 /nfs/dbraw/zinc/58/94/24/1178589424.db2.gz DJSXOOFOWBJGBU-KBPBESRZSA-N 2 0 269.433 1.563 10 0 CDAERP CC[C@@H](F)C[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001713605028 1178677625 /nfs/dbraw/zinc/67/76/25/1178677625.db2.gz BRAFDANVBQQJOO-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP C[C@H](C[NH2+]CCCCCF)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001714718782 1179355641 /nfs/dbraw/zinc/35/56/41/1179355641.db2.gz MLHUVTLZMQZUQU-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP COCCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001715025372 1179517243 /nfs/dbraw/zinc/51/72/43/1179517243.db2.gz HIGLEGUTNSKQDH-HUUCEWRRSA-N 2 0 297.443 1.040 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH2+]CCC(C)(C)C ZINC001715225536 1179584040 /nfs/dbraw/zinc/58/40/40/1179584040.db2.gz MVRHJSRWDVUAOZ-KGLIPLIRSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@@H]([NH2+]CCCF)[C@@H]1CCCN(C(=O)Cc2cnc[nH]2)C1 ZINC001715316854 1179619729 /nfs/dbraw/zinc/61/97/29/1179619729.db2.gz SUBFZOBYOBUFDM-CHWSQXEVSA-N 2 0 296.390 1.529 10 0 CDAERP CCC[NH2+][C@@H](CNC(=O)C[N@H+](C)C(C)C)C(C)C ZINC001715502983 1179685720 /nfs/dbraw/zinc/68/57/20/1179685720.db2.gz CDAAPGLYWJKOCQ-ZDUSSCGKSA-N 2 0 257.422 1.467 10 0 CDAERP CC(C)[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CCCF ZINC001715622158 1179738679 /nfs/dbraw/zinc/73/86/79/1179738679.db2.gz QRTBNYXNOQGHCV-AWEZNQCLSA-N 2 0 287.423 1.418 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CC[NH2+]C[C@@H]1CCCOC1 ZINC001715714945 1179773137 /nfs/dbraw/zinc/77/31/37/1179773137.db2.gz OOGNPSPSWHCGND-GJZGRUSLSA-N 2 0 299.459 1.238 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(CC)CC[NH2+]CC(C)C)CC[N@@H+]1C ZINC001715736658 1179784890 /nfs/dbraw/zinc/78/48/90/1179784890.db2.gz UDFDPQKPHFHISO-LSDHHAIUSA-N 2 0 283.460 1.811 10 0 CDAERP CCN(CC[NH2+]CC1CCCC1)C(=O)C12CC[NH+](CC1)C2 ZINC001715768441 1179797379 /nfs/dbraw/zinc/79/73/79/1179797379.db2.gz WLRYVDMAGQSQFV-UHFFFAOYSA-N 2 0 293.455 1.711 10 0 CDAERP Cc1conc1C[NH2+]CC[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001716196027 1180091401 /nfs/dbraw/zinc/09/14/01/1180091401.db2.gz NVVLYWCLOOMGJV-ZDUSSCGKSA-N 2 0 294.399 1.063 10 0 CDAERP CCN(CC[NH2+]C/C=C/Cl)C(=O)C12CCC[NH+]1CCC2 ZINC001716227280 1180109975 /nfs/dbraw/zinc/10/99/75/1180109975.db2.gz MNSKBQPVNMQENR-VMPITWQZSA-N 2 0 299.846 1.805 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]C(C)C ZINC001716465689 1180226068 /nfs/dbraw/zinc/22/60/68/1180226068.db2.gz HISOAVZBEIMGGI-QWHCGFSZSA-N 2 0 255.406 1.364 10 0 CDAERP CC(C)C[NH2+]CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001716564945 1180286914 /nfs/dbraw/zinc/28/69/14/1180286914.db2.gz PEWZUMLQMRFXOB-UHFFFAOYSA-N 2 0 269.433 1.422 10 0 CDAERP CC(C)[C@H](C(=O)NCC1([NH2+]CCCF)CC1)[NH+](C)C ZINC001716698487 1180376198 /nfs/dbraw/zinc/37/61/98/1180376198.db2.gz HADQUCFXSVUSEP-GFCCVEGCSA-N 2 0 273.396 1.171 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)CC1CCC1 ZINC001717498944 1180712585 /nfs/dbraw/zinc/71/25/85/1180712585.db2.gz UHDUEJFQLOICIC-TZMCWYRMSA-N 2 0 267.417 1.175 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CCOCC)C(C)(C)C1 ZINC001717904799 1180921324 /nfs/dbraw/zinc/92/13/24/1180921324.db2.gz DURAMDBCFSMFGQ-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)C[N@H+](C)C(C)C)CCC1 ZINC001724802230 1181758463 /nfs/dbraw/zinc/75/84/63/1181758463.db2.gz ZHLMCCVLBWROPN-UHFFFAOYSA-N 2 0 269.433 1.755 10 0 CDAERP CN(C(=O)C[NH+]1CCCC1)[C@@H](C[NH2+]CCCF)C1CC1 ZINC001725473135 1182012781 /nfs/dbraw/zinc/01/27/81/1182012781.db2.gz JFIWLRXLGHUTFU-AWEZNQCLSA-N 2 0 285.407 1.268 10 0 CDAERP CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001725572487 1182053670 /nfs/dbraw/zinc/05/36/70/1182053670.db2.gz BOGXEVKBFJNXLM-OLZOCXBDSA-N 2 0 255.406 1.317 10 0 CDAERP CCC[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001731259645 1182278360 /nfs/dbraw/zinc/27/83/60/1182278360.db2.gz ACHUIHZURJTEBY-OAHLLOKOSA-N 2 0 283.460 1.957 10 0 CDAERP CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001731467347 1182400126 /nfs/dbraw/zinc/40/01/26/1182400126.db2.gz HMZQBHFHXONKSN-KGLIPLIRSA-N 2 0 267.417 1.271 10 0 CDAERP CC/C=C/CC[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001731638324 1182495124 /nfs/dbraw/zinc/49/51/24/1182495124.db2.gz XQBICKUDCGDYBM-IHDARNGBSA-N 2 0 267.417 1.389 10 0 CDAERP C[NH+](C)CCC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC001731784172 1182576372 /nfs/dbraw/zinc/57/63/72/1182576372.db2.gz WSFUGYPDPZGSDC-UHFFFAOYSA-N 2 0 263.385 1.186 10 0 CDAERP C[C@H](F)CC[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001731911833 1182675634 /nfs/dbraw/zinc/67/56/34/1182675634.db2.gz XJELTLWSAYBKTG-YNEHKIRRSA-N 2 0 273.396 1.123 10 0 CDAERP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)C[NH2+]C/C=C/Cl ZINC001732357284 1182925167 /nfs/dbraw/zinc/92/51/67/1182925167.db2.gz RQQSOLQYWPGHSI-NTYUQYKDSA-N 2 0 287.835 1.423 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCCC1 ZINC001732399221 1182945259 /nfs/dbraw/zinc/94/52/59/1182945259.db2.gz YSVHHMFARSTASX-UHFFFAOYSA-N 2 0 281.444 1.901 10 0 CDAERP CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CCC[NH+](C)C ZINC001732539833 1183001625 /nfs/dbraw/zinc/00/16/25/1183001625.db2.gz HJJONDDIYPRIJW-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H](CC[NH2+]C/C=C\Cl)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001732728764 1183101583 /nfs/dbraw/zinc/10/15/83/1183101583.db2.gz MNGJBFOCVUSKCU-NAFLWYGVSA-N 2 0 287.835 1.565 10 0 CDAERP CCCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001733541675 1183459661 /nfs/dbraw/zinc/45/96/61/1183459661.db2.gz ZOKMNYGCJNMSCN-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH+](C)CC)C1 ZINC001734050815 1183636005 /nfs/dbraw/zinc/63/60/05/1183636005.db2.gz HRFXVFRFEMIJMU-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP CCCC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001734596354 1183839587 /nfs/dbraw/zinc/83/95/87/1183839587.db2.gz OMXNPPMBEOURLP-YMAMQOFZSA-N 2 0 281.444 1.850 10 0 CDAERP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C[NH3+])cc1 ZINC001771754025 1186860669 /nfs/dbraw/zinc/86/06/69/1186860669.db2.gz CIRVSNNHRZDJCT-LSDHHAIUSA-N 2 0 275.396 1.748 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000870939894 1165238127 /nfs/dbraw/zinc/23/81/27/1165238127.db2.gz FHKBGVWZNUUXED-SQWLQELKSA-N 2 0 271.364 1.033 10 0 CDAERP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCOC)C2)ccn1 ZINC000856583809 777700289 /nfs/dbraw/zinc/70/02/89/777700289.db2.gz AICCGDQZMDHISW-MRXNPFEDSA-N 2 0 293.411 1.633 10 0 CDAERP [NH3+]CCN(CCc1ccccc1)C(=O)C=C1CC[NH2+]CC1 ZINC000852877255 773756966 /nfs/dbraw/zinc/75/69/66/773756966.db2.gz DQRLKLFBWKUXGE-UHFFFAOYSA-N 2 0 287.407 1.326 10 0 CDAERP CCOC(=O)[C@@H](CC)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923451861 773759324 /nfs/dbraw/zinc/75/93/24/773759324.db2.gz QIGYUGRCKKJISW-CHWSQXEVSA-N 2 0 284.400 1.158 10 0 CDAERP CC(=O)NCCCCC[N@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC000931316706 773779522 /nfs/dbraw/zinc/77/95/22/773779522.db2.gz JRQFVTQNHCCTPD-IYBDPMFKSA-N 2 0 281.444 1.566 10 0 CDAERP CC1(C)[C@H]([NH2+][C@@H]2CCc3c[nH]nc3C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925618329 773792569 /nfs/dbraw/zinc/79/25/69/773792569.db2.gz ZLDUDKCQSOXXAQ-RJZRQDKASA-N 2 0 274.412 1.633 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000925543544 773957608 /nfs/dbraw/zinc/95/76/08/773957608.db2.gz VQDWMRBCNGDFMC-GVJPBBDUSA-N 2 0 260.385 1.197 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000924995488 774008476 /nfs/dbraw/zinc/00/84/76/774008476.db2.gz YZQLQOFYCZAKFN-QXSJWSMHSA-N 2 0 263.429 1.567 10 0 CDAERP CC(C)N1CC[C@H]([N@@H+]2C[C@@]3(C)CN(C)C[C@@]3(C)C2)C1=O ZINC000931306936 774035487 /nfs/dbraw/zinc/03/54/87/774035487.db2.gz CZGZEDQIQGZSPO-CWRNSKLLSA-N 2 0 279.428 1.269 10 0 CDAERP C[NH2+]C[C@@H]1CCN(C[C@@H]2CC[C@@H](C(F)(F)F)O2)C1 ZINC000721440593 774075242 /nfs/dbraw/zinc/07/52/42/774075242.db2.gz CNEVZWLNJNQLLZ-DCAQKATOSA-N 2 0 266.307 1.638 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857872807 774083230 /nfs/dbraw/zinc/08/32/30/774083230.db2.gz QERKJOGANBRZLY-DZGCQCFKSA-N 2 0 293.459 1.649 10 0 CDAERP O[C@H](C[NH2+]CCC[C@@H]1C=CCC1)C[NH+]1CCCC1 ZINC000872245354 774087575 /nfs/dbraw/zinc/08/75/75/774087575.db2.gz BJPHMYYVQMVPDP-HUUCEWRRSA-N 2 0 252.402 1.779 10 0 CDAERP CC(C)C[C@H]([NH2+]C[C@@H]1CCC=CO1)C(=O)NCC[NH+](C)C ZINC000775046332 774152879 /nfs/dbraw/zinc/15/28/79/774152879.db2.gz GQYRHOFVLVPUGE-GJZGRUSLSA-N 2 0 297.443 1.361 10 0 CDAERP CN1CCC[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1=O ZINC000925530977 774232022 /nfs/dbraw/zinc/23/20/22/774232022.db2.gz NIVRRZGKWXUGSP-UTUOFQBUSA-N 2 0 253.390 1.103 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCc2nnc(C)o2)[C@@H](C)C1 ZINC000930000447 774238755 /nfs/dbraw/zinc/23/87/55/774238755.db2.gz PPTKUFOBLQYBHZ-AAEUAGOBSA-N 2 0 266.389 1.583 10 0 CDAERP CCC[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1cccnc1 ZINC000925813597 774348988 /nfs/dbraw/zinc/34/89/88/774348988.db2.gz XDDLDNRRPQLMEX-INIZCTEOSA-N 2 0 276.428 1.936 10 0 CDAERP COC(=O)[C@@H]1CC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)[C@H](C)C1 ZINC000923552116 774395426 /nfs/dbraw/zinc/39/54/26/774395426.db2.gz USAMKSIFIMTFCH-LPWJVIDDSA-N 2 0 254.374 1.115 10 0 CDAERP C[C@@H]1CC2(CN1C(=O)CCC13CC(C1)C[NH2+]3)CC[NH2+]CC2 ZINC000870948774 774488376 /nfs/dbraw/zinc/48/83/76/774488376.db2.gz MINZDSDQZRZUSL-TUBUQKNSSA-N 2 0 291.439 1.509 10 0 CDAERP CCn1ncc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)n1 ZINC000858444289 774505591 /nfs/dbraw/zinc/50/55/91/774505591.db2.gz UITJHELIZSTUDH-NSHDSACASA-N 2 0 251.378 1.118 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C=C2CC[NH2+]CC2)C[C@H]1C ZINC000852869608 774529947 /nfs/dbraw/zinc/52/99/47/774529947.db2.gz CQEISMGNVILRTN-HIFRSBDPSA-N 2 0 279.428 1.627 10 0 CDAERP C[NH+](C)CC[C@H](NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)C(C)(C)C ZINC000872283900 774830110 /nfs/dbraw/zinc/83/01/10/774830110.db2.gz KDXJAWWXUKVSNP-DVZHBHJUSA-N 2 0 281.444 1.596 10 0 CDAERP CC[C@@H]1C[C@H]1C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923447845 774842917 /nfs/dbraw/zinc/84/29/17/774842917.db2.gz XRGZJCZBYLYHMK-RDBSUJKOSA-N 2 0 252.402 1.862 10 0 CDAERP COC(=O)c1cc(CN2CC[C@H]3[NH2+]CC[C@H]3C2)ccc1C ZINC000872143541 774846230 /nfs/dbraw/zinc/84/62/30/774846230.db2.gz SCSYZJAGSBARBY-GOEBONIOSA-N 2 0 288.391 1.965 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCO[C@H](C2CC2)C1 ZINC000926185494 774849993 /nfs/dbraw/zinc/84/99/93/774849993.db2.gz YGMJPSQEJOZIRV-AFLMIKJESA-N 2 0 264.413 1.874 10 0 CDAERP CCN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866703834 774852186 /nfs/dbraw/zinc/85/21/86/774852186.db2.gz LBRNZKVPGDCIOT-XJKSGUPXSA-N 2 0 283.460 1.940 10 0 CDAERP CCO[C@@H]1C[N@H+](C[C@@H]2CCC(C)(C)CO2)C[C@H]1C[NH3+] ZINC000713586842 774866482 /nfs/dbraw/zinc/86/64/82/774866482.db2.gz PHIDSHZABDCBJL-HZSPNIEDSA-N 2 0 270.417 1.487 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000870880202 774875045 /nfs/dbraw/zinc/87/50/45/774875045.db2.gz OKRBVGKZRIPZPW-KLZNWCGWSA-N 2 0 291.439 1.591 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000925264816 774905793 /nfs/dbraw/zinc/90/57/93/774905793.db2.gz PILKIBGSMPEMRT-WORDMNGFSA-N 2 0 260.385 1.197 10 0 CDAERP CCc1nnc(C[NH2+]CC2(C)CC[NH+](C)CC2)s1 ZINC000702668766 775012326 /nfs/dbraw/zinc/01/23/26/775012326.db2.gz GORLWJQMUGSEBM-UHFFFAOYSA-N 2 0 268.430 1.922 10 0 CDAERP C[NH+]1CCN(CCC[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)CC1 ZINC000921507196 775018426 /nfs/dbraw/zinc/01/84/26/775018426.db2.gz KNIFFVWNJAWFND-GVDBMIGSSA-N 2 0 295.471 1.419 10 0 CDAERP C[C@@H]1[C@H](NC(=O)NCC2(C)CC[NH+](C)CC2)CC[N@@H+]1C ZINC000925332027 775055489 /nfs/dbraw/zinc/05/54/89/775055489.db2.gz MTRNGKQJHHVZEQ-CHWSQXEVSA-N 2 0 282.432 1.110 10 0 CDAERP CN(C)C(=O)N(C)[C@@H]1CC[N@H+](CCCCCC[NH3+])C1 ZINC000852761227 775103584 /nfs/dbraw/zinc/10/35/84/775103584.db2.gz SHURVKLYHPVYOT-CYBMUJFWSA-N 2 0 270.421 1.193 10 0 CDAERP C[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)C[C@H]1CC[NH3+] ZINC000723891862 775273798 /nfs/dbraw/zinc/27/37/98/775273798.db2.gz OQLFZIBXVGURAH-BXUZGUMPSA-N 2 0 261.369 1.202 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C12CCC2 ZINC000713524286 775340572 /nfs/dbraw/zinc/34/05/72/775340572.db2.gz SRFIYAIVCBUZRR-VJTDZRGJSA-N 2 0 262.397 1.804 10 0 CDAERP C[C@@H]1OCC[C@@H]1C[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872150662 775366146 /nfs/dbraw/zinc/36/61/46/775366146.db2.gz YPNXWIHJSPOWBA-ZRUFSTJUSA-N 2 0 266.307 1.480 10 0 CDAERP O[C@H](Cc1ccccc1)CN1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923530061 775375346 /nfs/dbraw/zinc/37/53/46/775375346.db2.gz FVBDMTAMYYTIJB-IAGOWNOFSA-N 2 0 274.408 1.808 10 0 CDAERP CC(C)(CO)C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925616012 775381471 /nfs/dbraw/zinc/38/14/71/775381471.db2.gz JXEABLOGKVMAEU-ZIAGYGMSSA-N 2 0 254.418 1.763 10 0 CDAERP C[C@H]1[NH2+]CCC[C@H]1NCC[N@H+](C)C1CCCCC1 ZINC000925483277 775401714 /nfs/dbraw/zinc/40/17/14/775401714.db2.gz YDIMQANOPUDNOS-UKRRQHHQSA-N 2 0 253.434 1.981 10 0 CDAERP CO[C@H]1COCC[C@@H]1[N@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923428391 775423117 /nfs/dbraw/zinc/42/31/17/775423117.db2.gz YBZGBFXFHARWBE-AQBKWJQSSA-N 2 0 282.428 1.643 10 0 CDAERP CC[C@@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723905692 775423339 /nfs/dbraw/zinc/42/33/39/775423339.db2.gz MHOULENMUOIRJO-FVCCEPFGSA-N 2 0 255.406 1.206 10 0 CDAERP CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705232 775430842 /nfs/dbraw/zinc/43/08/42/775430842.db2.gz VTYOMZOUXSQXPO-IUODEOHRSA-N 2 0 269.433 1.598 10 0 CDAERP CC(C)CC[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863551306 775454898 /nfs/dbraw/zinc/45/48/98/775454898.db2.gz KCARQBPBIGPYQA-KGLIPLIRSA-N 2 0 281.400 1.290 10 0 CDAERP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000841011850 775459689 /nfs/dbraw/zinc/45/96/89/775459689.db2.gz PNFKCACSWQQNJF-KBPBESRZSA-N 2 0 270.417 1.835 10 0 CDAERP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCCc3cn[nH]c32)CC1 ZINC000857856097 775574534 /nfs/dbraw/zinc/57/45/34/775574534.db2.gz FMXJKNWBEJGNJF-HNNXBMFYSA-N 2 0 291.443 1.403 10 0 CDAERP CC1(C)C[C@@H]([NH2+]CCN2CCCCC2)C[C@@H]([NH3+])C1 ZINC000925532113 775584141 /nfs/dbraw/zinc/58/41/41/775584141.db2.gz CVLIRERJRWIZPG-KGLIPLIRSA-N 2 0 253.434 1.968 10 0 CDAERP C[C@H](Cn1ccnc1)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925543887 775848260 /nfs/dbraw/zinc/84/82/60/775848260.db2.gz OGCIASKVTRXAQZ-AGIUHOORSA-N 2 0 250.390 1.767 10 0 CDAERP CC[C@H]1COC[C@H]1[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000925954637 775881457 /nfs/dbraw/zinc/88/14/57/775881457.db2.gz OKUQQCZPUXJRSM-SOUVJXGZSA-N 2 0 299.459 1.094 10 0 CDAERP C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923504865 775900320 /nfs/dbraw/zinc/90/03/20/775900320.db2.gz VEIZQKVXVSXPHV-MGPQQGTHSA-N 2 0 281.444 1.741 10 0 CDAERP CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923498223 775911949 /nfs/dbraw/zinc/91/19/49/775911949.db2.gz KCPGNSZUBJKMBA-VOAKCMCISA-N 2 0 255.406 1.206 10 0 CDAERP CC[C@H](C(=O)NC1CCC(C)([NH+](C)C)CC1)[NH+](C)C ZINC000871362149 775913010 /nfs/dbraw/zinc/91/30/10/775913010.db2.gz XMSWAWWQGHQITF-JVWICGRDSA-N 2 0 269.433 1.706 10 0 CDAERP C[C@@H](O)c1ncc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)s1 ZINC000848563112 776020523 /nfs/dbraw/zinc/02/05/23/776020523.db2.gz OTZUPIHCCAJAAU-MXWKQRLJSA-N 2 0 269.414 1.626 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(C(F)(F)F)CC1 ZINC000849027226 776042150 /nfs/dbraw/zinc/04/21/50/776042150.db2.gz IQBBKKJVHNVVOC-JTQLQIEISA-N 2 0 292.349 1.927 10 0 CDAERP CN(C(=O)CCCCCC[NH3+])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000831905358 776127014 /nfs/dbraw/zinc/12/70/14/776127014.db2.gz GOILPCQMRPWWCR-AWEZNQCLSA-N 2 0 267.417 1.591 10 0 CDAERP C[C@H]1C[C@H](C)C[NH+](CCCNC(=[NH2+])NC2CC2)C1 ZINC000848988093 776176292 /nfs/dbraw/zinc/17/62/92/776176292.db2.gz FPWJSDRPBJDQJL-RYUDHWBXSA-N 2 0 252.406 1.631 10 0 CDAERP C(C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)O[C@@H]1CCOC1 ZINC000923361523 776236527 /nfs/dbraw/zinc/23/65/27/776236527.db2.gz FUVHNFWUGQWPRL-SOUVJXGZSA-N 2 0 268.401 1.113 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@H]1CCC3(CCC3)O1)C2 ZINC000712524043 776323793 /nfs/dbraw/zinc/32/37/93/776323793.db2.gz QAQOCRQEQSJPQV-RFQIPJPRSA-N 2 0 250.386 1.900 10 0 CDAERP C[N@@H+]1CC[C@@H]2CN(CCCC3CC[NH2+]CC3)CC[C@H]21 ZINC000866703358 776333594 /nfs/dbraw/zinc/33/35/94/776333594.db2.gz HKENDCUAOWZUDC-HZPDHXFCSA-N 2 0 265.445 1.792 10 0 CDAERP C(C1CC1)[NH+]1CCC([NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)CC1 ZINC000866445697 776343759 /nfs/dbraw/zinc/34/37/59/776343759.db2.gz AWCNVSPYZGMOST-AYIQCDPPSA-N 2 0 276.424 1.874 10 0 CDAERP C[C@@H]1[C@H](NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000925326053 776473621 /nfs/dbraw/zinc/47/36/21/776473621.db2.gz KPKUIYCKPWMJBW-QLFBSQMISA-N 2 0 294.443 1.206 10 0 CDAERP Cc1ccc(CNC(=O)C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923504893 776483022 /nfs/dbraw/zinc/48/30/22/776483022.db2.gz VXSPTKOTUXLJOB-GDBMZVCRSA-N 2 0 289.423 1.528 10 0 CDAERP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(CC(C)(C)O)C2)CN1C1CC1 ZINC000865658825 776500162 /nfs/dbraw/zinc/50/01/62/776500162.db2.gz ACETYBJKGKZOCM-RDBSUJKOSA-N 2 0 281.444 1.046 10 0 CDAERP C[N@H+](C[C@@H](O)C1(O)CCCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000930460771 776551963 /nfs/dbraw/zinc/55/19/63/776551963.db2.gz PYOKRGFSGBYNTO-IZGVIRRGSA-N 2 0 282.428 1.209 10 0 CDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C[C@H]([NH3+])C1CC1 ZINC000381071157 776575393 /nfs/dbraw/zinc/57/53/93/776575393.db2.gz PDTMJVZPMOFSCM-CJNGLKHVSA-N 2 0 289.423 1.751 10 0 CDAERP C[C@H](O)c1ncc(C[NH2+]CCCC[NH+]2CCOCC2)s1 ZINC000809606269 776595143 /nfs/dbraw/zinc/59/51/43/776595143.db2.gz OITCKKQLNGGNOA-LBPRGKRZSA-N 2 0 299.440 1.398 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@@H](O)c2cc(F)ccc2F)C1 ZINC000848676783 776658167 /nfs/dbraw/zinc/65/81/67/776658167.db2.gz RTWWKAMLNVEJFM-IFUGULHKSA-N 2 0 284.350 1.928 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)C=C1CC[NH2+]CC1 ZINC000852896062 776786453 /nfs/dbraw/zinc/78/64/53/776786453.db2.gz RCRIAGPCQXQLPL-UHFFFAOYSA-N 2 0 273.380 1.332 10 0 CDAERP FC(F)[C@@H]1C[NH2+]CCN1CCCC1CC[NH2+]CC1 ZINC000843385873 776815183 /nfs/dbraw/zinc/81/51/83/776815183.db2.gz UOLYNQJARUUQLV-LBPRGKRZSA-N 2 0 261.360 1.305 10 0 CDAERP C[C@H]1[C@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)CC[N@@H+]1C ZINC000921588511 776823318 /nfs/dbraw/zinc/82/33/18/776823318.db2.gz SWVBZUMVOZNBAI-VXGQWTEUSA-N 2 0 296.459 1.499 10 0 CDAERP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cn(C)nc2Cl)CC1 ZINC000856766007 776845666 /nfs/dbraw/zinc/84/56/66/776845666.db2.gz PGIAZMBYDXIMHE-LBPRGKRZSA-N 2 0 299.850 1.189 10 0 CDAERP CC1(C)[C@H]([NH3+])c2ccccc2N1C(=O)CC1(C[NH3+])CC1 ZINC000867987303 776867681 /nfs/dbraw/zinc/86/76/81/776867681.db2.gz KHQWWIVVCOZSNF-CQSZACIVSA-N 2 0 273.380 1.941 10 0 CDAERP CCO[C@H](C[NH2+][C@H]1CCOC(C)(C)C1)CN(C)C ZINC000922752397 776887643 /nfs/dbraw/zinc/88/76/43/776887643.db2.gz DVYNGVOQMDWWRM-QWHCGFSZSA-N 2 0 258.406 1.500 10 0 CDAERP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)C2CC[NH+](C3CC3)CC2)C1 ZINC000816950671 777005190 /nfs/dbraw/zinc/00/51/90/777005190.db2.gz XWKIEXQJTFPZJT-ZFWWWQNUSA-N 2 0 277.412 1.023 10 0 CDAERP CCN1CC[NH+](C[C@@H](C)CN[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925491816 777007901 /nfs/dbraw/zinc/00/79/01/777007901.db2.gz RSHRPSLGMFMYAI-HOTGVXAUSA-N 2 0 294.487 1.134 10 0 CDAERP CC1(C)CC[C@H](CNC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])[NH2+]C1 ZINC000872309285 777081844 /nfs/dbraw/zinc/08/18/44/777081844.db2.gz QMFYBXWWEIKNEF-MCIONIFRSA-N 2 0 281.444 1.788 10 0 CDAERP O[C@@H](C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C1CC1 ZINC000819220140 777226374 /nfs/dbraw/zinc/22/63/74/777226374.db2.gz YNFRBVCLQMLIPF-SJORKVTESA-N 2 0 290.407 1.114 10 0 CDAERP C[NH+](C)CCC1CC[NH+](C[C@@H](O)CCC2(O)CCC2)CC1 ZINC000929328550 777346965 /nfs/dbraw/zinc/34/69/65/777346965.db2.gz XWPKRAUITCEJIX-INIZCTEOSA-N 2 0 298.471 1.706 10 0 CDAERP CCC(C)(C)NC(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000227768116 777347565 /nfs/dbraw/zinc/34/75/65/777347565.db2.gz YZKQBNBYVFNGBL-RYUDHWBXSA-N 2 0 255.406 1.208 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000925785370 777457288 /nfs/dbraw/zinc/45/72/88/777457288.db2.gz KVIDBMPRGVJLGL-TXCZRRACSA-N 2 0 288.439 1.490 10 0 CDAERP CO[C@@H]1CC[C@H]1[N@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000724126694 777522225 /nfs/dbraw/zinc/52/22/25/777522225.db2.gz JHXJWEOAKYTZEB-HZPDHXFCSA-N 2 0 260.381 1.942 10 0 CDAERP CCS(=O)(=O)C1(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925705894 777557684 /nfs/dbraw/zinc/55/76/84/777557684.db2.gz ITLVQKRUJZZQBF-RYUDHWBXSA-N 2 0 288.457 1.449 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000925324260 777656960 /nfs/dbraw/zinc/65/69/60/777656960.db2.gz BQMDYXYRXMLPDB-MGPQQGTHSA-N 2 0 282.432 1.205 10 0 CDAERP Cc1nccn1CCCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925523025 777677313 /nfs/dbraw/zinc/67/73/13/777677313.db2.gz QTVJKPFDFYISIC-UONOGXRCSA-N 3 0 262.401 1.831 10 0 CDAERP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])C1 ZINC000841076538 777755065 /nfs/dbraw/zinc/75/50/65/777755065.db2.gz IEOGQYNYKVTJHA-YTWAJWBKSA-N 2 0 278.343 1.679 10 0 CDAERP C[C@@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000923480096 777779432 /nfs/dbraw/zinc/77/94/32/777779432.db2.gz VIYBBPQKRGMJEA-ILXRZTDVSA-N 2 0 289.423 1.923 10 0 CDAERP C[C@@H]1CCC[N@@H+]1CCNC(=O)CC[C@H]1CCCC[NH+]1C ZINC000807272337 777881653 /nfs/dbraw/zinc/88/16/53/777881653.db2.gz ZLGXQOIOOWIGSM-HUUCEWRRSA-N 2 0 281.444 1.851 10 0 CDAERP CCCCCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](C)C[C@@H]21 ZINC000816952205 777886556 /nfs/dbraw/zinc/88/65/56/777886556.db2.gz FKTJPUPOVKFUSC-GJZGRUSLSA-N 2 0 281.444 1.661 10 0 CDAERP C[C@H](CNC(=O)C=C1CC[NH2+]CC1)C[NH+]1CCCC1 ZINC000852860803 777887193 /nfs/dbraw/zinc/88/71/93/777887193.db2.gz VGUCOQZTJPRECB-CYBMUJFWSA-N 2 0 265.401 1.144 10 0 CDAERP CS[C@H](CO)[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925610393 778024010 /nfs/dbraw/zinc/02/40/10/778024010.db2.gz DKNXYZBTUGDCLP-WHOHXGKFSA-N 2 0 260.447 1.594 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925839786 778082823 /nfs/dbraw/zinc/08/28/23/778082823.db2.gz FDESMEBMANLKJV-HOTGVXAUSA-N 3 0 282.476 1.169 10 0 CDAERP C[NH+](C)C1(CNC(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000922291874 778192912 /nfs/dbraw/zinc/19/29/12/778192912.db2.gz MLXDCZWWIAUCCR-UHFFFAOYSA-N 2 0 294.443 1.397 10 0 CDAERP CC[NH2+]CCCN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925696144 778238307 /nfs/dbraw/zinc/23/83/07/778238307.db2.gz ZWVCAXFQWJNQOL-CABCVRRESA-N 2 0 253.434 1.744 10 0 CDAERP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)[C@H]1CCOC1 ZINC000925782011 778240087 /nfs/dbraw/zinc/24/00/87/778240087.db2.gz JUSXWXWWSPDVIZ-SRVKXCTJSA-N 2 0 262.344 1.636 10 0 CDAERP Cc1cncn1CC(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000864062861 778262848 /nfs/dbraw/zinc/26/28/48/778262848.db2.gz LVHASLVSGURDSJ-UHFFFAOYSA-N 2 0 264.373 1.134 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H]2COC3(CCCC3)O2)C12CCC2 ZINC000925631335 778265566 /nfs/dbraw/zinc/26/55/66/778265566.db2.gz UPABPKYQLCURGE-YNEHKIRRSA-N 2 0 266.385 1.532 10 0 CDAERP C[C@H]1CC[C@@H](NC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C[NH2+]1 ZINC000872309127 778267380 /nfs/dbraw/zinc/26/73/80/778267380.db2.gz QKVHAWWJCZDMTE-LOWDOPEQSA-N 2 0 253.390 1.151 10 0 CDAERP CCOC(=O)[C@@H]1C[C@H]1CN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000930601677 778303030 /nfs/dbraw/zinc/30/30/30/778303030.db2.gz KAYCRMKBOVQDTF-LZWOXQAQSA-N 2 0 280.412 1.603 10 0 CDAERP C[C@@H]1CCC[N@H+](CCc2ccc(C(N)=O)cc2)[C@H]1CC[NH3+] ZINC000866667607 778411550 /nfs/dbraw/zinc/41/15/50/778411550.db2.gz RYOWUVXRQMAQRS-CJNGLKHVSA-N 2 0 289.423 1.777 10 0 CDAERP Cn1cc(C[C@@H]2CC[N@H+](CCC[NH2+]C3CC3)C2)cn1 ZINC000923327161 778421995 /nfs/dbraw/zinc/42/19/95/778421995.db2.gz QBPSABHZGWTRHH-ZDUSSCGKSA-N 2 0 262.401 1.427 10 0 CDAERP OC1CC(CC[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925653830 778461497 /nfs/dbraw/zinc/46/14/97/778461497.db2.gz ZYACPNLUWBILJL-DISOXQEGSA-N 2 0 266.429 1.905 10 0 CDAERP CC1(C)C[C@@H](C[NH+]2CCC(O)(C[NH3+])CC2)C(C)(C)O1 ZINC000709754236 778492034 /nfs/dbraw/zinc/49/20/34/778492034.db2.gz HEFDTXGPYCGSPT-LBPRGKRZSA-N 2 0 270.417 1.366 10 0 CDAERP CC[C@H](O)CC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925557065 778519563 /nfs/dbraw/zinc/51/95/63/778519563.db2.gz BCFWWNMTUMXCHC-SOUVJXGZSA-N 2 0 254.418 1.905 10 0 CDAERP C[NH+](C)CCN(C(=O)C1CC([NH3+])C1)C1CCCC1 ZINC000703483916 778553982 /nfs/dbraw/zinc/55/39/82/778553982.db2.gz UESNPFHUEMFMHB-UHFFFAOYSA-N 2 0 253.390 1.057 10 0 CDAERP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000923549338 778754751 /nfs/dbraw/zinc/75/47/51/778754751.db2.gz HWOLUBASSHIAIK-LSDHHAIUSA-N 2 0 270.417 1.095 10 0 CDAERP CN1CCC([NH2+]C2CCC(C)([NH+](C)C)CC2)CC1 ZINC000715518622 778814202 /nfs/dbraw/zinc/81/42/02/778814202.db2.gz LVJSJFFIEINMGA-UHFFFAOYSA-N 2 0 253.434 1.933 10 0 CDAERP CC[NH+](CC)CCSCC(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000928450785 778837205 /nfs/dbraw/zinc/83/72/05/778837205.db2.gz SJTWMEHCXVXQFD-STQMWFEESA-N 2 0 287.473 1.270 10 0 CDAERP O[C@H](CC[C@H](O)c1ccccc1)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000929312618 778913402 /nfs/dbraw/zinc/91/34/02/778913402.db2.gz LLRCGDAXMVCLIM-VQHPVUNQSA-N 2 0 290.407 1.012 10 0 CDAERP O[C@@H](CNCc1ccc(F)nc1)C[NH+]1CCCCC1 ZINC000189007068 778919465 /nfs/dbraw/zinc/91/94/65/778919465.db2.gz LQWSVSLCXMUZRA-ZDUSSCGKSA-N 2 0 267.348 1.157 10 0 CDAERP C[C@@H]([NH2+]CC[C@H]1OCCc2ccccc21)C1C[NH2+]C1 ZINC000925880760 778986161 /nfs/dbraw/zinc/98/61/61/778986161.db2.gz OFUXLRFFAKQBTM-MLGOLLRUSA-N 2 0 260.381 1.888 10 0 CDAERP Cn1nncc1C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000715517226 779041571 /nfs/dbraw/zinc/04/15/71/779041571.db2.gz BQWTYOKQCOGNBM-UHFFFAOYSA-N 2 0 251.378 1.168 10 0 CDAERP CCC[C@@H]([NH3+])C(=O)N[C@H](Cn1ccnc1)C(C)(C)C ZINC000036999290 779082483 /nfs/dbraw/zinc/08/24/83/779082483.db2.gz AYNCUDGDKDHFEM-VXGBXAGGSA-N 2 0 266.389 1.541 10 0 CDAERP COC(=O)c1cccc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923499535 779148343 /nfs/dbraw/zinc/14/83/43/779148343.db2.gz SFBQMKSOVKNOKI-SWLSCSKDSA-N 2 0 276.380 1.890 10 0 CDAERP CC/C(C)=C\C(=O)NCCN(C)CCC[NH+](C)C ZINC000855417440 779170337 /nfs/dbraw/zinc/17/03/37/779170337.db2.gz GSNPUVAHHSABNY-SEYXRHQNSA-N 2 0 255.406 1.342 10 0 CDAERP CCCN(CCC)C(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923499676 779171693 /nfs/dbraw/zinc/17/16/93/779171693.db2.gz NCFYOWPCEZHDHB-ZIAGYGMSSA-N 2 0 269.433 1.552 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)CCCC[NH3+])C1 ZINC000870991749 779228672 /nfs/dbraw/zinc/22/86/72/779228672.db2.gz HCSHOBRWWCFSAE-AWEZNQCLSA-N 2 0 255.406 1.339 10 0 CDAERP Cc1nc(CC[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)n[nH]1 ZINC000925631262 779235324 /nfs/dbraw/zinc/23/53/24/779235324.db2.gz GSMXPPWBLQQZDZ-QWRGUYRKSA-N 2 0 251.378 1.151 10 0 CDAERP C[C@H]1CN(Cc2noc(C(C)(C)C)n2)CC[C@H]1C[NH3+] ZINC000923502294 779245380 /nfs/dbraw/zinc/24/53/80/779245380.db2.gz YQOVDZLZAKDQAP-QWRGUYRKSA-N 2 0 266.389 1.784 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925548505 779297057 /nfs/dbraw/zinc/29/70/57/779297057.db2.gz CNLOMINQMMYTNO-GWNLFYIMSA-N 2 0 263.429 1.447 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000870994367 779301390 /nfs/dbraw/zinc/30/13/90/779301390.db2.gz PUTDPGJEJIVIAY-PBHICJAKSA-N 2 0 289.423 1.910 10 0 CDAERP COCCC[NH+]1CCC(N[C@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925578336 779307795 /nfs/dbraw/zinc/30/77/95/779307795.db2.gz VGNYYFOWNADYQA-GJZGRUSLSA-N 2 0 281.444 1.347 10 0 CDAERP C[C@H]1C[N@H+](Cc2ccc3oc(=O)n(C)c3c2)CC[C@H]1C[NH3+] ZINC000923488940 779361077 /nfs/dbraw/zinc/36/10/77/779361077.db2.gz IJYCIYLXTLMESA-AAEUAGOBSA-N 2 0 289.379 1.548 10 0 CDAERP C[C@@H]1[C@H](NC(=O)N(C)[C@H]2CC[NH+](C)C[C@H]2C)CC[N@@H+]1C ZINC000925328844 779363128 /nfs/dbraw/zinc/36/31/28/779363128.db2.gz IJASYYKGSDWXPX-SYQHCUMBSA-N 2 0 282.432 1.061 10 0 CDAERP C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CCN2CCC([NH3+])CC2)C1 ZINC000925816364 779461887 /nfs/dbraw/zinc/46/18/87/779461887.db2.gz FLZVGJNKLUMCHE-UMVBOHGHSA-N 2 0 253.434 1.824 10 0 CDAERP CC(C)[C@@](C)(CN)[NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923296025 779499456 /nfs/dbraw/zinc/49/94/56/779499456.db2.gz NEJTWTUQIZKCAN-JALIKCBVSA-N 2 0 253.434 1.870 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925882573 779515632 /nfs/dbraw/zinc/51/56/32/779515632.db2.gz QYPMCYJKVSNLMG-QMCVQRASSA-N 3 0 273.424 1.763 10 0 CDAERP c1cnc(C2([NH2+]CC[C@@H]3CCC[NH2+]C3)CCOCC2)nc1 ZINC000923554111 779538681 /nfs/dbraw/zinc/53/86/81/779538681.db2.gz MYKIEBRMQIMEAN-AWEZNQCLSA-N 2 0 290.411 1.462 10 0 CDAERP C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)NCCN(C)CCC[NH+](C)C ZINC000869242152 779565436 /nfs/dbraw/zinc/56/54/36/779565436.db2.gz LKCQNVDQCJRPLQ-BARDWOONSA-N 2 0 281.444 1.278 10 0 CDAERP C[C@@H](CCNC(=[NH2+])N1CCO[C@H](C)C1)[NH+]1CCCCC1 ZINC000849018441 779635763 /nfs/dbraw/zinc/63/57/63/779635763.db2.gz VKFAXHWXWXWUCA-UONOGXRCSA-N 2 0 282.432 1.496 10 0 CDAERP CCc1cc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)ncn1 ZINC000866009972 779666100 /nfs/dbraw/zinc/66/61/00/779666100.db2.gz BOWAOXFZHWTTRM-ZIAGYGMSSA-N 2 0 291.443 1.215 10 0 CDAERP Cc1nc(C)c(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)[nH]1 ZINC000929284789 779776938 /nfs/dbraw/zinc/77/69/38/779776938.db2.gz VXQLYNXCDGPMOH-UHFFFAOYSA-N 2 0 292.427 1.571 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000715543401 779797661 /nfs/dbraw/zinc/79/76/61/779797661.db2.gz NDMBWCNCFURRDU-SHARSMKWSA-N 3 0 271.449 1.593 10 0 CDAERP CCCCC[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863551943 779817415 /nfs/dbraw/zinc/81/74/15/779817415.db2.gz UBDNLQHVPGEZMH-KGLIPLIRSA-N 2 0 281.400 1.434 10 0 CDAERP [NH3+]CCCCCCC[N@@H+]1CCNC(=O)CC12CCOCC2 ZINC000866697270 779837355 /nfs/dbraw/zinc/83/73/55/779837355.db2.gz LLJSGNNNZVXIEJ-UHFFFAOYSA-N 2 0 297.443 1.267 10 0 CDAERP FC(F)(F)[C@H]1CC[C@@H](C[NH2+]C2CC[NH2+]CC2)O1 ZINC000722390048 779908216 /nfs/dbraw/zinc/90/82/16/779908216.db2.gz SQNKREQRDKSPBG-VHSXEESVSA-N 2 0 252.280 1.438 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000863543919 779946632 /nfs/dbraw/zinc/94/66/32/779946632.db2.gz GSGKDJUJEGOLAP-WDEREUQCSA-N 2 0 268.323 1.933 10 0 CDAERP CO[C@H](C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1)c1ccccc1 ZINC000702092929 779962693 /nfs/dbraw/zinc/96/26/93/779962693.db2.gz PZZSNRUGTHNBND-ARFHVFGLSA-N 2 0 260.381 1.915 10 0 CDAERP C[NH+](C)C[C@@](C)(O)C[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000227975024 779964301 /nfs/dbraw/zinc/96/43/01/779964301.db2.gz TVRBDHOFOLXLQR-GJZGRUSLSA-N 2 0 284.444 1.771 10 0 CDAERP [NH3+][C@H]1C[C@@H]([NH2+]CCOCC(F)(F)C(F)F)C12CCC2 ZINC000925651434 779982788 /nfs/dbraw/zinc/98/27/88/779982788.db2.gz CJDNDZBPNPTVKO-DTWKUNHWSA-N 2 0 284.297 1.763 10 0 CDAERP CC(C)C[C@H](O)C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000703619695 780012619 /nfs/dbraw/zinc/01/26/19/780012619.db2.gz RSXNKSCXCBADEA-RFQIPJPRSA-N 2 0 254.418 1.760 10 0 CDAERP Cn1c2ccc(CN3CC[C@H](C[NH3+])C3)cc2sc1=O ZINC000261965427 780079760 /nfs/dbraw/zinc/07/97/60/780079760.db2.gz PSLMSFYUHUDDED-LLVKDONJSA-N 2 0 277.393 1.381 10 0 CDAERP C[C@@H]1C[C@H](C[N@H+](C)CCCNC(=O)CC[NH+](C)C)CCO1 ZINC001566488524 1168305401 /nfs/dbraw/zinc/30/54/01/1168305401.db2.gz BEJWLBPUQNYQFG-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@H](C)C[NH2+][C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001567048038 1168531461 /nfs/dbraw/zinc/53/14/61/1168531461.db2.gz NVGYHQDUJSKVMY-QWHCGFSZSA-N 2 0 269.433 1.469 10 0 CDAERP CN(C)c1cccc(C[NH+]2CCC(O)(C[NH+](C)C)CC2)n1 ZINC001365323718 913041010 /nfs/dbraw/zinc/04/10/10/913041010.db2.gz JHVVCVZDUFVCCR-UHFFFAOYSA-N 2 0 292.427 1.036 10 0 CDAERP CCOCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001282389814 894140665 /nfs/dbraw/zinc/14/06/65/894140665.db2.gz ALRXLIJVUATTBW-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)C2=CC[NH+](C)CC2)C1 ZINC001567473188 1168790282 /nfs/dbraw/zinc/79/02/82/1168790282.db2.gz GIYJRFDGESQUMW-HOCLYGCPSA-N 2 0 293.455 1.873 10 0 CDAERP CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001266339755 894447164 /nfs/dbraw/zinc/44/71/64/894447164.db2.gz XCOVKBLLPPFNJR-LFAOLKIESA-N 2 0 281.444 1.875 10 0 CDAERP CC[C@@H](C(=O)NCC[N@H+](C)CC[C@H](C)F)[NH+](C)C ZINC001266351014 894509088 /nfs/dbraw/zinc/50/90/88/894509088.db2.gz XVMMWNCCFAQPJQ-RYUDHWBXSA-N 2 0 261.385 1.123 10 0 CDAERP C[N@H+](CCN1CC[NH2+]CC1)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000693391876 895986062 /nfs/dbraw/zinc/98/60/62/895986062.db2.gz HZSAZSPLYDPXTL-CLLJXQQHSA-N 2 0 273.371 1.115 10 0 CDAERP CCCCC[NH2+][C@@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001266972049 896472068 /nfs/dbraw/zinc/47/20/68/896472068.db2.gz SYNAYTRGQZWDQW-KGLIPLIRSA-N 2 0 269.433 1.613 10 0 CDAERP CC(C)=CC[N@@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001480910464 896532155 /nfs/dbraw/zinc/53/21/55/896532155.db2.gz VNIIJPHFNLNQFP-CQSZACIVSA-N 2 0 269.433 1.587 10 0 CDAERP CC(C)=CC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001267016467 896571130 /nfs/dbraw/zinc/57/11/30/896571130.db2.gz UVALREIKKPZMHE-AWEZNQCLSA-N 2 0 267.417 1.485 10 0 CDAERP CN(CC[NH2+]CC1CC(F)(F)C1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001267072137 896690247 /nfs/dbraw/zinc/69/02/47/896690247.db2.gz SDRCGOZPAFVOQC-LBPRGKRZSA-N 2 0 289.370 1.031 10 0 CDAERP CCC(O)(CC)C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693670973 897157319 /nfs/dbraw/zinc/15/73/19/897157319.db2.gz YOTKAPNNDZUEND-FRRDWIJNSA-N 2 0 254.418 1.904 10 0 CDAERP CCCCC[N@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001267230067 897234670 /nfs/dbraw/zinc/23/46/70/897234670.db2.gz GDZHTFOYSRMMJS-UHFFFAOYSA-N 2 0 255.406 1.320 10 0 CDAERP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]CCCCCF)CC[N@@H+]1C ZINC001267375175 897759903 /nfs/dbraw/zinc/75/99/03/897759903.db2.gz XXVGDATXVPZYQD-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP CN(CC[NH2+]CCC1CC1)C(=O)C1CC[NH+](C)CC1 ZINC001267422084 897882735 /nfs/dbraw/zinc/88/27/35/897882735.db2.gz CNINCSRDRDFPND-UHFFFAOYSA-N 2 0 267.417 1.176 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CCCCCF)C1 ZINC001481084637 898769074 /nfs/dbraw/zinc/76/90/74/898769074.db2.gz VHPLUXROWWJNOQ-HUUCEWRRSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)C[N@H+](C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001420357008 899378259 /nfs/dbraw/zinc/37/82/59/899378259.db2.gz IIDWBITWUWRDGM-HNNXBMFYSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CC[NH+](CC2CC2)C1 ZINC001267779879 899710017 /nfs/dbraw/zinc/71/00/17/899710017.db2.gz XJQXXKWXOXTTBQ-AWEZNQCLSA-N 2 0 267.417 1.269 10 0 CDAERP CC[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CC=C(C)C ZINC001267806776 899778473 /nfs/dbraw/zinc/77/84/73/899778473.db2.gz ZVRABRSNBLNIRA-HOTGVXAUSA-N 2 0 293.455 1.779 10 0 CDAERP CC[C@H](C(=O)N[C@](C)(C[NH2+]C(C)C)C1CC1)[NH+](C)C ZINC001267863812 899898441 /nfs/dbraw/zinc/89/84/41/899898441.db2.gz PKEGTCQZCLLGEN-UKRRQHHQSA-N 2 0 269.433 1.610 10 0 CDAERP CCCC[NH2+][C@H](C)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001282156259 901551701 /nfs/dbraw/zinc/55/17/01/901551701.db2.gz BCDVQWUQUKVECN-KGLIPLIRSA-N 2 0 281.444 1.898 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)CC[NH2+]CCC(F)(F)F)[NH+](C)C ZINC001268417521 902031208 /nfs/dbraw/zinc/03/12/08/902031208.db2.gz ZTJVZGDLONBZTC-WDEREUQCSA-N 2 0 297.365 1.763 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CCC1CC1 ZINC001481812676 902166020 /nfs/dbraw/zinc/16/60/20/902166020.db2.gz RGKOZICLJLBJCB-CVEARBPZSA-N 2 0 293.455 1.613 10 0 CDAERP CC/C=C/CC[NH2+]CCN(CC)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001268496981 902395633 /nfs/dbraw/zinc/39/56/33/902395633.db2.gz BOABAEQAAHLRDD-LFAOLKIESA-N 2 0 281.444 1.733 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)NC[C@@H](C)C[NH2+]CCF)CC1 ZINC001482155729 902773390 /nfs/dbraw/zinc/77/33/90/902773390.db2.gz HJDUJMOWSTVFSI-ZDUSSCGKSA-N 2 0 287.423 1.418 10 0 CDAERP CCN1CC[C@@H]1C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001361909910 902922845 /nfs/dbraw/zinc/92/28/45/902922845.db2.gz WHBDGTJDYGNOPQ-UONOGXRCSA-N 2 0 281.444 1.707 10 0 CDAERP COC[C@H](C)[NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001268823091 903158340 /nfs/dbraw/zinc/15/83/40/903158340.db2.gz XWRDCIPFYAETJA-KKUMJFAQSA-N 2 0 299.459 1.190 10 0 CDAERP CCC[NH2+]CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001268836646 903170001 /nfs/dbraw/zinc/17/00/01/903170001.db2.gz RUZJOYYEKAMGRR-UHFFFAOYSA-N 2 0 255.406 1.176 10 0 CDAERP Cc1nc(C)c(C[NH2+]CCCN(C)C(=O)CC[NH+](C)C)o1 ZINC001268835207 903170113 /nfs/dbraw/zinc/17/01/13/903170113.db2.gz GYPMHFIMSRVZFG-UHFFFAOYSA-N 2 0 296.415 1.181 10 0 CDAERP CN(CCC[NH2+]CC1CC1)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001268876641 903201375 /nfs/dbraw/zinc/20/13/75/903201375.db2.gz LTYPUWOXVVQGKD-HZPDHXFCSA-N 2 0 293.455 1.851 10 0 CDAERP C[NH+](C)CCC(=O)NCC1([NH2+]CCc2cccs2)CC1 ZINC001483765488 914720711 /nfs/dbraw/zinc/72/07/11/914720711.db2.gz YXUXIRQIPOPRLA-UHFFFAOYSA-N 2 0 295.452 1.481 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001269293479 903662669 /nfs/dbraw/zinc/66/26/69/903662669.db2.gz XVRLKNASLADHES-CYSIVNQBSA-N 2 0 281.444 1.873 10 0 CDAERP CN(CC[N@H+](C)C1CC1)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001362618278 903890539 /nfs/dbraw/zinc/89/05/39/903890539.db2.gz SHGQJHZLQQMHJK-DZGCQCFKSA-N 2 0 281.444 1.659 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N[C@@](C)(C[NH2+]CCCF)C2CC2)C1 ZINC001269644504 904006928 /nfs/dbraw/zinc/00/69/28/904006928.db2.gz GPFJYNUYSQWIRE-CJNGLKHVSA-N 2 0 299.434 1.562 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001270121177 904378446 /nfs/dbraw/zinc/37/84/46/904378446.db2.gz KPKJBSDSYFZENC-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CCC(C)C)[NH+](C)C ZINC001270164912 904409550 /nfs/dbraw/zinc/40/95/50/904409550.db2.gz GLYAOGZCCQGMGI-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP CNC(=O)CCC[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001363318439 904423689 /nfs/dbraw/zinc/42/36/89/904423689.db2.gz WPOAABGIIFNRLO-IYBDPMFKSA-N 2 0 279.428 1.320 10 0 CDAERP CC[C@@H](C(=O)NC[C@H](C)C[NH2+]CCC(F)(F)F)[NH+](C)C ZINC001270517309 904694198 /nfs/dbraw/zinc/69/41/98/904694198.db2.gz NUALPQFMBVYVQK-MNOVXSKESA-N 2 0 297.365 1.621 10 0 CDAERP COCC[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCCC1 ZINC001270757538 905025074 /nfs/dbraw/zinc/02/50/74/905025074.db2.gz PGWISYXRQDTVEL-AWEZNQCLSA-N 2 0 299.459 1.238 10 0 CDAERP CCC(CC)C[N@H+](C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001482642492 908107860 /nfs/dbraw/zinc/10/78/60/908107860.db2.gz JMDKWUQLYOOZAV-UHFFFAOYSA-N 2 0 295.471 1.909 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC1CCC1 ZINC001482687572 908287003 /nfs/dbraw/zinc/28/70/03/908287003.db2.gz CVOHRRKFEOGAIV-HUUCEWRRSA-N 2 0 281.444 1.613 10 0 CDAERP CCC[NH2+]CC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482893002 908470152 /nfs/dbraw/zinc/47/01/52/908470152.db2.gz ZILKOUCIZIMMHH-STQMWFEESA-N 2 0 255.406 1.223 10 0 CDAERP CCN(CC[NH2+]CCC(C)C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482925177 908496631 /nfs/dbraw/zinc/49/66/31/908496631.db2.gz MLPKQJACZIATNC-HUUCEWRRSA-N 2 0 283.460 1.811 10 0 CDAERP CC[C@H](F)C[NH2+]CCN(CC)C(=O)C12CCC[NH+]1CCC2 ZINC001482934081 908500850 /nfs/dbraw/zinc/50/08/50/908500850.db2.gz JMIZDQKZVRYHNY-AWEZNQCLSA-N 2 0 299.434 1.801 10 0 CDAERP C([C@H]1CC2CCC1CC2)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000691680503 921433735 /nfs/dbraw/zinc/43/37/35/921433735.db2.gz WLLXMPSGBBSZKH-BACDZXNISA-N 2 0 277.456 1.792 10 0 CDAERP c1ccc(C[N@H+]2CC[C@@H](CNC3=[NH+]CCCCN3)C2)cc1 ZINC000697668633 909169694 /nfs/dbraw/zinc/16/96/94/909169694.db2.gz AHOGORQGZCOJRJ-INIZCTEOSA-N 2 0 286.423 1.838 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]CCCF)[NH+](C)C ZINC001483185249 909930744 /nfs/dbraw/zinc/93/07/44/909930744.db2.gz CYMSYCQEIYFRSR-NEPJUHHUSA-N 2 0 261.385 1.027 10 0 CDAERP C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)[NH2+]CC1CC1 ZINC001409357140 910324272 /nfs/dbraw/zinc/32/42/72/910324272.db2.gz KRGWAZJWXLICOJ-KBPBESRZSA-N 2 0 293.455 1.755 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)NCc1nccs1 ZINC001507154125 910824976 /nfs/dbraw/zinc/82/49/76/910824976.db2.gz MEZXBCIPKDGQKD-RYUDHWBXSA-N 2 0 296.440 1.031 10 0 CDAERP CC[C@H](C)C[N@H+](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001483348270 910947951 /nfs/dbraw/zinc/94/79/51/910947951.db2.gz WIXKRIDOTLDEIW-KBPBESRZSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1C ZINC001483352150 910957048 /nfs/dbraw/zinc/95/70/48/910957048.db2.gz FICDOADRABNWEA-UONOGXRCSA-N 2 0 269.433 1.563 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CC)C1CC1 ZINC001483564325 911257741 /nfs/dbraw/zinc/25/77/41/911257741.db2.gz MHSIUDMEFURBED-ZIAGYGMSSA-N 2 0 267.417 1.365 10 0 CDAERP CCN(CC[NH2+]Cc1csc(C)c1)C(=O)CC[NH+](C)C ZINC001273588439 921650044 /nfs/dbraw/zinc/65/00/44/921650044.db2.gz LJSQBYLPJGQVFE-UHFFFAOYSA-N 2 0 297.468 1.946 10 0 CDAERP CC[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]1[NH2+]CCOC ZINC001483627537 911990526 /nfs/dbraw/zinc/99/05/26/911990526.db2.gz XXXOEIQUKDZTPQ-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)OCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001483637097 912090008 /nfs/dbraw/zinc/09/00/08/912090008.db2.gz RMGWAQBBPBJWHJ-CABCVRRESA-N 2 0 297.443 1.086 10 0 CDAERP C[NH+](C)CC1(C(=O)N2CCC[C@H]2C[NH2+]C/C=C\Cl)CC1 ZINC001483941895 915216029 /nfs/dbraw/zinc/21/60/29/915216029.db2.gz GXBIEGLROVNVDN-UKOWJOKBSA-N 2 0 299.846 1.661 10 0 CDAERP CCCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001484054949 915366594 /nfs/dbraw/zinc/36/65/94/915366594.db2.gz URONVNVPVOTCSD-GDBMZVCRSA-N 2 0 281.444 1.851 10 0 CDAERP CCC[NH+]1CCC(C)(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001484147075 915460450 /nfs/dbraw/zinc/46/04/50/915460450.db2.gz MLMAFSXLYFGSHH-UHFFFAOYSA-N 2 0 281.444 1.711 10 0 CDAERP CC(C)[N@@H+]1CCC[C@](C)(CNC(=O)Cn2ccnc2)C1 ZINC001484175274 915491441 /nfs/dbraw/zinc/49/14/41/915491441.db2.gz ORAQCRFZGZIGNL-OAHLLOKOSA-N 2 0 278.400 1.510 10 0 CDAERP CCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)Cc2cnc[nH]2)C1 ZINC001484349188 915657070 /nfs/dbraw/zinc/65/70/70/915657070.db2.gz UNGVASBSJYXOOX-STQMWFEESA-N 2 0 278.400 1.579 10 0 CDAERP CCCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001484511592 915835966 /nfs/dbraw/zinc/83/59/66/915835966.db2.gz JSCQLCPMZSNAOO-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[NH2+]C[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001568186722 1169167525 /nfs/dbraw/zinc/16/75/25/1169167525.db2.gz COEQXGHLOPGMQX-CYBMUJFWSA-N 2 0 269.433 1.613 10 0 CDAERP C[NH+](C)C1(C(=O)N2CCC(C)([NH2+]CCF)CC2)CCC1 ZINC001484917672 916256144 /nfs/dbraw/zinc/25/61/44/916256144.db2.gz KVLQQSVZLLZISP-UHFFFAOYSA-N 2 0 285.407 1.411 10 0 CDAERP CC1([NH2+]CCC2CC2)CCN(C(=O)Cn2ccnc2)CC1 ZINC001484928086 916274007 /nfs/dbraw/zinc/27/40/07/916274007.db2.gz GDMKWOBMRLJWRE-UHFFFAOYSA-N 2 0 290.411 1.654 10 0 CDAERP C[C@@H]([NH2+]CCC1CC1)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001485190699 916649892 /nfs/dbraw/zinc/64/98/92/916649892.db2.gz RBFFLVWJLHSSOZ-OLZOCXBDSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001485213113 916677334 /nfs/dbraw/zinc/67/73/34/916677334.db2.gz ASQFBZCPICLGBM-STQMWFEESA-N 2 0 267.417 1.221 10 0 CDAERP CC(C)[NH2+]CCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001485739497 917234489 /nfs/dbraw/zinc/23/44/89/917234489.db2.gz UMQYRAVPJFMWTO-ZIAGYGMSSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@H](Cc1c[nH]cn1)C(=O)N[C@H](C)C1C[NH+](CC2CC2)C1 ZINC001409938792 919147375 /nfs/dbraw/zinc/14/73/75/919147375.db2.gz ZGEPZBCBWSXHRL-VXGBXAGGSA-N 2 0 290.411 1.435 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CCF ZINC001485892931 920552494 /nfs/dbraw/zinc/55/24/94/920552494.db2.gz HSKPRLAFXKAODS-KBPBESRZSA-N 2 0 287.423 1.513 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CCF)C1 ZINC001485911033 920567111 /nfs/dbraw/zinc/56/71/11/920567111.db2.gz DXLFPMTTXZFYAD-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CCCF)[NH+](C)C ZINC001485946376 920610526 /nfs/dbraw/zinc/61/05/26/920610526.db2.gz CMSMXWXTYLOMRJ-STQMWFEESA-N 2 0 275.412 1.369 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC)[C@@H]2C1 ZINC001486165623 920771479 /nfs/dbraw/zinc/77/14/79/920771479.db2.gz HPCAEOAUBNUXQN-RRFJBIMHSA-N 2 0 281.444 1.565 10 0 CDAERP Cc1cc(N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000398006396 936709389 /nfs/dbraw/zinc/70/93/89/936709389.db2.gz QMLSHEUSTSRQIS-ZFWWWQNUSA-N 2 0 297.406 1.694 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CCC[N@@H+](C/C=C\Cl)C1 ZINC001491130797 936860863 /nfs/dbraw/zinc/86/08/63/936860863.db2.gz QMZVNRAGDIHTCZ-SDQPKGBYSA-N 2 0 299.846 1.663 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)[NH2+]CC=C(C)C)[NH+](C)C ZINC001491495626 936925103 /nfs/dbraw/zinc/92/51/03/936925103.db2.gz OFKLQLAOEMUXSR-QWHCGFSZSA-N 2 0 255.406 1.387 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]C(C)C ZINC001491503036 936926269 /nfs/dbraw/zinc/92/62/69/936926269.db2.gz DQBLRTGXNSQPKO-UONOGXRCSA-N 2 0 269.433 1.610 10 0 CDAERP CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001568396767 1169272115 /nfs/dbraw/zinc/27/21/15/1169272115.db2.gz LUKJCUQTVXZHBB-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)C[NH2+]C[C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001410218105 925413580 /nfs/dbraw/zinc/41/35/80/925413580.db2.gz JKSLBLXAUDZNKE-WKILWMFISA-N 2 0 295.471 1.859 10 0 CDAERP CC[C@@H](C(=O)N1CCO[C@H](C[NH2+]CCC(C)C)C1)[NH+](C)C ZINC001273342867 926117247 /nfs/dbraw/zinc/11/72/47/926117247.db2.gz QLUYRXGRJKHWBL-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@@H](C(=O)NCCC[N@H+](CC)C1CC1)[NH+](C)C ZINC001490386291 927144792 /nfs/dbraw/zinc/14/47/92/927144792.db2.gz OEGCNINPNOECMS-ZDUSSCGKSA-N 2 0 255.406 1.317 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]C(C)C)C1CC1 ZINC001490670844 927277568 /nfs/dbraw/zinc/27/75/68/927277568.db2.gz HBULONPKXGUVSL-CABCVRRESA-N 2 0 281.444 1.754 10 0 CDAERP CC[C@H](C[NH2+]C/C=C\CNC(=O)C1CC[NH+](C)CC1)OC ZINC001274330916 931491136 /nfs/dbraw/zinc/49/11/36/931491136.db2.gz HTEYZWALKFFMCI-IYKSTZQJSA-N 2 0 297.443 1.015 10 0 CDAERP CC/C=C\CC[NH2+]C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001274985856 931625634 /nfs/dbraw/zinc/62/56/34/931625634.db2.gz IBDFAIQIFQTTSN-ZRUQZJFASA-N 2 0 279.428 1.533 10 0 CDAERP CC[C@@H](C(=O)NC1CC(C[NH2+]C/C=C\Cl)C1)[NH+](C)C ZINC001275289745 931725920 /nfs/dbraw/zinc/72/59/20/931725920.db2.gz LYJUJNDBEAAJJN-LIXYKMJLSA-N 2 0 287.835 1.564 10 0 CDAERP CC[C@@H](C(=O)NC1CC(C[NH2+]C/C=C/Cl)C1)[NH+](C)C ZINC001275289744 931726066 /nfs/dbraw/zinc/72/60/66/931726066.db2.gz LYJUJNDBEAAJJN-KWGCBEMESA-N 2 0 287.835 1.564 10 0 CDAERP C[C@H](NC(=O)C1([NH+](C)C)CCC1)[C@H](C)[NH2+]CC1CC1 ZINC001275415944 931781957 /nfs/dbraw/zinc/78/19/57/931781957.db2.gz SAFHXEBVOVHDOI-RYUDHWBXSA-N 2 0 267.417 1.364 10 0 CDAERP CC[N@@H+]1C[C@H](C)N(C(=O)CC[NH+]2CC[C@H](F)C2)C[C@H]1C ZINC001411972389 932188705 /nfs/dbraw/zinc/18/87/05/932188705.db2.gz DVXITGGPEKFVEO-RDBSUJKOSA-N 2 0 285.407 1.361 10 0 CDAERP C[NH+](C)CC[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001412600829 932545830 /nfs/dbraw/zinc/54/58/30/932545830.db2.gz SLOYHLUBWZSQDF-HNNXBMFYSA-N 2 0 281.444 1.519 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CC[NH+]1CC[C@@H](F)C1 ZINC001412666645 932608598 /nfs/dbraw/zinc/60/85/98/932608598.db2.gz XHZFZLDUJIFADK-BZPMIXESSA-N 2 0 283.391 1.019 10 0 CDAERP COC[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)C1CCOCC1 ZINC000925776867 932937490 /nfs/dbraw/zinc/93/74/90/932937490.db2.gz NCEWVWJNWNXZFX-OLZOCXBDSA-N 2 0 292.370 1.262 10 0 CDAERP C[C@H]1[C@H](NC(=O)C2CC[NH+](C3CC3)CC2)CC[N@@H+]1C ZINC000928442979 933144745 /nfs/dbraw/zinc/14/47/45/933144745.db2.gz RUEXFCRQPUUGLE-SMDDNHRTSA-N 2 0 265.401 1.070 10 0 CDAERP Nc1cccc(C[NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)c1 ZINC001119544059 937730773 /nfs/dbraw/zinc/73/07/73/937730773.db2.gz BVQIOKZWUSTQFX-AWEZNQCLSA-N 2 0 286.383 1.075 10 0 CDAERP Cc1ncc(C[NH2+]CC[C@@H](C)NC(=O)CC[NH+](C)C)s1 ZINC001568671703 1169423092 /nfs/dbraw/zinc/42/30/92/1169423092.db2.gz ABPHHALWKRNTBU-LLVKDONJSA-N 2 0 298.456 1.388 10 0 CDAERP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CC[NH2+]CC1 ZINC000400319008 940847125 /nfs/dbraw/zinc/84/71/25/940847125.db2.gz BAXHBGJORQVJAV-CFVMTHIKSA-N 3 0 251.418 1.591 10 0 CDAERP CCC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001277217831 942186522 /nfs/dbraw/zinc/18/65/22/942186522.db2.gz NCIUVWCPTJXVIO-KBPBESRZSA-N 2 0 269.433 1.755 10 0 CDAERP CC[C@@H](F)C[N@H+]1CC=C(CNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001279636302 942399035 /nfs/dbraw/zinc/39/90/35/942399035.db2.gz JPHXMOVWWUMPBV-CABCVRRESA-N 2 0 299.434 1.823 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCCC[C@H]1C[NH2+]CCF ZINC001281868078 942627302 /nfs/dbraw/zinc/62/73/02/942627302.db2.gz DQYWGIOKCYWMQY-CABCVRRESA-N 2 0 299.434 1.801 10 0 CDAERP C[NH+]1CCC(CC(=O)N2CCCC[C@H]2C[NH2+]CCF)CC1 ZINC001281887752 942629106 /nfs/dbraw/zinc/62/91/06/942629106.db2.gz PUYDQGPRVYXXBP-HNNXBMFYSA-N 2 0 299.434 1.659 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC2CC(C[NH2+]CCC3CC3)C2)C1 ZINC001282059390 942651042 /nfs/dbraw/zinc/65/10/42/942651042.db2.gz ZEMADMMBRYGXAN-JEYLPNPQSA-N 2 0 293.455 1.613 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CC[NH+](C(C)(C)C)CC2)CC[N@@H+]1C ZINC001362138298 970932025 /nfs/dbraw/zinc/93/20/25/970932025.db2.gz VGUGHJWZLVZBDC-KBPBESRZSA-N 2 0 281.444 1.659 10 0 CDAERP CCC[NH2+]CCN(CC)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001568799571 1169481310 /nfs/dbraw/zinc/48/13/10/1169481310.db2.gz JXVISBQPEKLPAY-KBPBESRZSA-N 2 0 269.433 1.707 10 0 CDAERP C[C@@H](O)C[N@H+](C)C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001283340755 942881333 /nfs/dbraw/zinc/88/13/33/942881333.db2.gz PLNOSGBPUHVWCK-CQSZACIVSA-N 2 0 299.459 1.022 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CCC2CC2)CN1C(=O)CC[NH+](C)C ZINC001284001622 943041892 /nfs/dbraw/zinc/04/18/92/943041892.db2.gz CDQVSCPLVMELRY-OCCSQVGLSA-N 2 0 267.417 1.317 10 0 CDAERP CCC[NH2+][C@@H](C)CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001277853385 943823449 /nfs/dbraw/zinc/82/34/49/943823449.db2.gz FBTIOFXZEXUVNR-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP C[C@@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CCCF ZINC001277900861 943960331 /nfs/dbraw/zinc/96/03/31/943960331.db2.gz RSQBBPUHQRPJIW-ZDUSSCGKSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@H](CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCCF ZINC001277913592 943992487 /nfs/dbraw/zinc/99/24/87/943992487.db2.gz HLFVPITWQBLVGJ-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)CC1CC1 ZINC001265114918 944234409 /nfs/dbraw/zinc/23/44/09/944234409.db2.gz SKZDBJDPMCTZBR-INIZCTEOSA-N 2 0 293.455 1.566 10 0 CDAERP COCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001265649971 944457359 /nfs/dbraw/zinc/45/73/59/944457359.db2.gz YSLCEUKAOPMPMA-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)[N@H+](C)CCCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001265864973 944547923 /nfs/dbraw/zinc/54/79/23/944547923.db2.gz SBXQVQJGOGNXQN-AWEZNQCLSA-N 2 0 269.433 1.707 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)NC[C@H]2CCC[N@H+](C)C2)C1 ZINC001362272229 971099498 /nfs/dbraw/zinc/09/94/98/971099498.db2.gz UNJQSRKXLKWXST-ILXRZTDVSA-N 2 0 281.444 1.565 10 0 CDAERP OCCCOCC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC001262201734 946518182 /nfs/dbraw/zinc/51/81/82/946518182.db2.gz DJPVIAXJLSIHPS-HUUCEWRRSA-N 2 0 270.417 1.143 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)C1 ZINC001362485224 971327678 /nfs/dbraw/zinc/32/76/78/971327678.db2.gz SBAMBROSBUUADQ-KBXIAJHMSA-N 2 0 279.428 1.127 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@]1(C)CC[NH+](CCCCCF)C1 ZINC001278414871 947812808 /nfs/dbraw/zinc/81/28/08/947812808.db2.gz UJTCEJIVEAWCDZ-GDBMZVCRSA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001568992016 1169582150 /nfs/dbraw/zinc/58/21/50/1169582150.db2.gz PSQPGCVMLUBZTE-CABCVRRESA-N 2 0 283.460 2.000 10 0 CDAERP CCC[N@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)C1CC1 ZINC001479878657 971467997 /nfs/dbraw/zinc/46/79/97/971467997.db2.gz GPWUVTJKDGPJDI-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP CCN1CC[C@@H]1C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001362637002 971480941 /nfs/dbraw/zinc/48/09/41/971480941.db2.gz JDXUIUKWXWKZBO-IIAWOOMASA-N 2 0 293.455 1.850 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001480171377 971612569 /nfs/dbraw/zinc/61/25/69/971612569.db2.gz PVLBDCDIPDCXSG-HDJSIYSDSA-N 2 0 265.401 1.285 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@](C)(C[NH2+]CCF)C2)C1 ZINC001278550071 949971660 /nfs/dbraw/zinc/97/16/60/949971660.db2.gz KDBCQTBQDRDPTR-HIFRSBDPSA-N 2 0 285.407 1.126 10 0 CDAERP C[C@@H](C[NH2+]CCC1CC1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001569058522 1169622535 /nfs/dbraw/zinc/62/25/35/1169622535.db2.gz HUUZFFMYCRPYBC-WFASDCNBSA-N 2 0 279.428 1.223 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC001480231448 971640363 /nfs/dbraw/zinc/64/03/63/971640363.db2.gz GENCOOANLPVQDV-ZNMIVQPWSA-N 2 0 297.443 1.134 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001480531378 971770222 /nfs/dbraw/zinc/77/02/22/971770222.db2.gz YRUZBEGNKBHNRG-ZDUSSCGKSA-N 2 0 269.433 1.469 10 0 CDAERP C[C@H](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CCC1CC1 ZINC001480763008 971869784 /nfs/dbraw/zinc/86/97/84/971869784.db2.gz CVBBCFVPYCSJLV-CZUORRHYSA-N 2 0 293.455 1.613 10 0 CDAERP C[C@H](CCNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CC1CC1 ZINC001480773674 971872978 /nfs/dbraw/zinc/87/29/78/971872978.db2.gz MWAPPUSINOADJD-CQSZACIVSA-N 2 0 293.455 1.757 10 0 CDAERP C[NH+]1CCC(OCC(=O)Nc2ccc3c[nH+]cn3c2)CC1 ZINC001363733277 953716796 /nfs/dbraw/zinc/71/67/96/953716796.db2.gz SVESPIGIXCGRBH-UHFFFAOYSA-N 2 0 288.351 1.384 10 0 CDAERP CCCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001493161963 971961005 /nfs/dbraw/zinc/96/10/05/971961005.db2.gz XDZKQEWFCZEDBB-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP C[NH+](C)CC[C@@H]1CCN(C(=O)CC[N@@H+]2CC[C@H](F)C2)C1 ZINC001363956589 954075093 /nfs/dbraw/zinc/07/50/93/954075093.db2.gz CWXWSJZPLGAQOP-KGLIPLIRSA-N 2 0 285.407 1.221 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC001291556833 954102272 /nfs/dbraw/zinc/10/22/72/954102272.db2.gz CLJDWQZTPXUVTG-HZSPNIEDSA-N 2 0 267.417 1.317 10 0 CDAERP CCOCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C ZINC001325923746 954145223 /nfs/dbraw/zinc/14/52/23/954145223.db2.gz WOPGBDFQJTYBRR-CABCVRRESA-N 2 0 297.443 1.040 10 0 CDAERP C[NH+](C)C1(C(=O)N2CC[C@@H](CC[NH2+]CCF)C2)CCC1 ZINC001326286391 954302372 /nfs/dbraw/zinc/30/23/72/954302372.db2.gz JCKOMJVYFCVISO-CYBMUJFWSA-N 2 0 285.407 1.268 10 0 CDAERP CN(CC[NH+](C)C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001294236117 954479485 /nfs/dbraw/zinc/47/94/85/954479485.db2.gz QKKANSDEUBWWIZ-QWHCGFSZSA-N 2 0 255.406 1.127 10 0 CDAERP CC(C)(C(=O)NC[C@H]1C[NH+]2CCC1CC2)[NH+]1CCCCC1 ZINC001364402647 954566737 /nfs/dbraw/zinc/56/67/37/954566737.db2.gz RMZCTEFGHRIBIW-HNNXBMFYSA-N 2 0 293.455 1.709 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCC2([NH2+]CCCF)CCC2)CC[N@@H+]1C ZINC001326876368 954598951 /nfs/dbraw/zinc/59/89/51/954598951.db2.gz XQLHCUSUDJMRFI-KBPBESRZSA-N 2 0 299.434 1.705 10 0 CDAERP CC[N@@H+]1C[C@H](C)N(C(=O)[C@@H](C)CC[NH+](C)C)C[C@H]1C ZINC001295827278 954756563 /nfs/dbraw/zinc/75/65/63/954756563.db2.gz BAIDOOGICHLWJS-MJBXVCDLSA-N 2 0 269.433 1.515 10 0 CDAERP C[N@@H+]1C[C@@]23CN(C[C@@H]4CCC(=O)N4)C[C@]2(C1)CCCC3 ZINC001364556420 954797755 /nfs/dbraw/zinc/79/77/55/954797755.db2.gz FUCOFGLNIJSZRU-CWRNSKLLSA-N 2 0 277.412 1.073 10 0 CDAERP CC[C@H](C)C[N@H+](CCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001493445991 972054265 /nfs/dbraw/zinc/05/42/65/972054265.db2.gz UIUMGWPAKBMTEZ-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@@H]([NH2+][C@@H](C)CNC(=O)CC[NH+](C)C)c1ccccc1 ZINC001491569554 955309522 /nfs/dbraw/zinc/30/95/22/955309522.db2.gz RNMLJZASZXECTP-UONOGXRCSA-N 2 0 277.412 1.794 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)CC[NH+]2CC[C@@H](F)C2)C1 ZINC001364952777 955410765 /nfs/dbraw/zinc/41/07/65/955410765.db2.gz GJBQCZFKHWSJHJ-OLZOCXBDSA-N 2 0 271.380 1.021 10 0 CDAERP CO[C@@H](C)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001421647652 955451583 /nfs/dbraw/zinc/45/15/83/955451583.db2.gz QNQCRCPVQZBAIR-ZNMIVQPWSA-N 2 0 297.443 1.086 10 0 CDAERP CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001491808192 955474738 /nfs/dbraw/zinc/47/47/38/955474738.db2.gz IGRMVDLBRGMONV-HUUCEWRRSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001491808190 955475236 /nfs/dbraw/zinc/47/52/36/955475236.db2.gz IGRMVDLBRGMONV-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP CCC[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001491947895 955541785 /nfs/dbraw/zinc/54/17/85/955541785.db2.gz YZWISUTUZIGLRM-ZDUSSCGKSA-N 2 0 255.406 1.271 10 0 CDAERP CCC[NH2+]CCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001493727537 972106469 /nfs/dbraw/zinc/10/64/69/972106469.db2.gz YQJKYHSIFZQPCF-ZIAGYGMSSA-N 2 0 267.417 1.461 10 0 CDAERP CCC[NH2+][C@@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)C(C)C ZINC001422134757 955765345 /nfs/dbraw/zinc/76/53/45/955765345.db2.gz UVPCONVKFYRLKZ-GJZGRUSLSA-N 2 0 299.459 1.095 10 0 CDAERP CCCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001329613618 956019737 /nfs/dbraw/zinc/01/97/37/956019737.db2.gz PQLBRYIZPZZEGF-OLZOCXBDSA-N 2 0 255.406 1.175 10 0 CDAERP CCc1noc(C)c1C[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001422552590 956145361 /nfs/dbraw/zinc/14/53/61/956145361.db2.gz MPGVLGQWVTYZJI-LLVKDONJSA-N 2 0 296.415 1.091 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC[C@@H]2CC[NH+](CC)C2)CC[N@@H+]1C ZINC001494017896 972162965 /nfs/dbraw/zinc/16/29/65/972162965.db2.gz DUCMPMGXDULQRD-QLFBSQMISA-N 2 0 281.444 1.565 10 0 CDAERP CC[NH2+][C@H](CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C)C(C)C ZINC001422665619 956242912 /nfs/dbraw/zinc/24/29/12/956242912.db2.gz YNNJCJJEMUDMTC-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@H](CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CCF)C[C@H]21)n1ccnc1 ZINC001422817288 956385107 /nfs/dbraw/zinc/38/51/07/956385107.db2.gz CFYPHSAQUNJVHC-SYQHCUMBSA-N 2 0 294.374 1.098 10 0 CDAERP C[C@@H](F)CC[NH2+][C@@H]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001365857026 956407690 /nfs/dbraw/zinc/40/76/90/956407690.db2.gz IEGGHAZDBLUBLW-HZSPNIEDSA-N 2 0 287.423 1.561 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001366090058 956553402 /nfs/dbraw/zinc/55/34/02/956553402.db2.gz CFXWPNAIZMJLQZ-UGUYLWEFSA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H](C)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001423110058 956593153 /nfs/dbraw/zinc/59/31/53/956593153.db2.gz PUHJVPNAZKMXBY-ZIAGYGMSSA-N 2 0 283.460 1.811 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001366172038 956617389 /nfs/dbraw/zinc/61/73/89/956617389.db2.gz QAPALBNHYMKTMS-ZQDZILKHSA-N 2 0 281.444 1.611 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001366172027 956619117 /nfs/dbraw/zinc/61/91/17/956619117.db2.gz QAPALBNHYMKTMS-TUVASFSCSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001366290418 956717296 /nfs/dbraw/zinc/71/72/96/956717296.db2.gz OSFFTEIAHDEDSG-AWEZNQCLSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@H]1[C@H]([NH2+]Cc2ccccc2)CCN1C(=O)CC[NH+](C)C ZINC001423323580 956724053 /nfs/dbraw/zinc/72/40/53/956724053.db2.gz KYVGWQJFTGTWDD-GOEBONIOSA-N 2 0 289.423 1.717 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cccc(F)c1 ZINC001366325022 956745996 /nfs/dbraw/zinc/74/59/96/956745996.db2.gz QBQMPGMDIWCCBY-LBPRGKRZSA-N 2 0 281.375 1.372 10 0 CDAERP C[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)CCCC1CCC1 ZINC001316865960 956771117 /nfs/dbraw/zinc/77/11/17/956771117.db2.gz STHCACHJJNRILK-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP CC[NH+]1CCC(C2(NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001423703099 956949189 /nfs/dbraw/zinc/94/91/89/956949189.db2.gz YBCDNRPYRPLQCC-CQSZACIVSA-N 2 0 293.455 1.709 10 0 CDAERP CC[N@H+](CCO)[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001316747837 956999030 /nfs/dbraw/zinc/99/90/30/956999030.db2.gz YPPIQQGFRUVZTK-OAHLLOKOSA-N 2 0 299.459 1.024 10 0 CDAERP CC[C@@H](C)C[NH2+]CCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001569257560 1169739108 /nfs/dbraw/zinc/73/91/08/1169739108.db2.gz HWYJDZSPQGQOJD-CABCVRRESA-N 2 0 283.460 1.812 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH+](C)CC ZINC001316806511 957030837 /nfs/dbraw/zinc/03/08/37/957030837.db2.gz JIBNWTMDOOFVGS-AWEZNQCLSA-N 2 0 269.433 1.661 10 0 CDAERP C[N@H+](CCCF)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001366869653 957238871 /nfs/dbraw/zinc/23/88/71/957238871.db2.gz IVELIFVYKKFWHV-HUUCEWRRSA-N 2 0 299.434 1.611 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)NC1CC(C[NH2+]C(C)C)C1 ZINC001424728825 957324236 /nfs/dbraw/zinc/32/42/36/957324236.db2.gz XKPCKMAAHWFQMG-RUXDESIVSA-N 2 0 287.423 1.559 10 0 CDAERP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CC[C@H](C)F)C1)[NH+](C)C ZINC001367031903 957357087 /nfs/dbraw/zinc/35/70/87/957357087.db2.gz BBFOZXIKVXLMDH-XQQFMLRXSA-N 2 0 273.396 1.265 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCC(C)(C)C ZINC001317231234 957361579 /nfs/dbraw/zinc/36/15/79/957361579.db2.gz YIKRIGSWSBBTCS-STQMWFEESA-N 2 0 269.433 1.611 10 0 CDAERP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001367061136 957376791 /nfs/dbraw/zinc/37/67/91/957376791.db2.gz QBXYFAVGEHPDPI-OAHLLOKOSA-N 2 0 290.411 1.066 10 0 CDAERP CCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](CCC[C@@H](C)O)C1 ZINC001367065062 957378058 /nfs/dbraw/zinc/37/80/58/957378058.db2.gz AYIRWQIYSDEXNT-CABCVRRESA-N 2 0 299.459 1.022 10 0 CDAERP C[NH+](C)CCCC(=O)N1CC[C@H](C[NH2+]CCCF)C1 ZINC001317332410 957426357 /nfs/dbraw/zinc/42/63/57/957426357.db2.gz BHQXWPCELIARSW-CYBMUJFWSA-N 2 0 273.396 1.126 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H](C[NH2+]CCC3CC3)C2)C1 ZINC001317341692 957430546 /nfs/dbraw/zinc/43/05/46/957430546.db2.gz BPDVKFHSLYTJAG-HZPDHXFCSA-N 2 0 293.455 1.566 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H](C[NH2+]CCC3CC3)C2)C1 ZINC001317341690 957431100 /nfs/dbraw/zinc/43/11/00/957431100.db2.gz BPDVKFHSLYTJAG-CVEARBPZSA-N 2 0 293.455 1.566 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@H]([NH2+]CC2CC2)C1 ZINC001317356310 957436060 /nfs/dbraw/zinc/43/60/60/957436060.db2.gz NDDCVIDRFNAURX-KBPBESRZSA-N 2 0 267.417 1.365 10 0 CDAERP Cc1noc2ncc(C[NH2+]CC3=CC[N@H+](C)CC3)cc12 ZINC001332267631 957500120 /nfs/dbraw/zinc/50/01/20/957500120.db2.gz XVOFBLVFEJCONV-UHFFFAOYSA-N 2 0 272.352 1.883 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCCF)CC1(C)C ZINC001425299149 957510807 /nfs/dbraw/zinc/51/08/07/957510807.db2.gz FMJNCWBYRGSALX-CYBMUJFWSA-N 2 0 287.423 1.513 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC)C(C)(C)C1 ZINC001332437930 957565992 /nfs/dbraw/zinc/56/59/92/957565992.db2.gz OMZSRUBEYKLKHQ-LBPRGKRZSA-N 2 0 255.406 1.175 10 0 CDAERP CCCC[NH2+]CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001317587377 957585439 /nfs/dbraw/zinc/58/54/39/957585439.db2.gz JAKABTATZJVHPW-CQSZACIVSA-N 2 0 267.417 1.176 10 0 CDAERP CN(CC[NH2+]C/C=C\Cl)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001317652702 957622998 /nfs/dbraw/zinc/62/29/98/957622998.db2.gz BWKLPDIAXOCUJK-KTLBGCOUSA-N 2 0 273.808 1.129 10 0 CDAERP CCCC[NH2+]CCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001317654153 957626034 /nfs/dbraw/zinc/62/60/34/957626034.db2.gz IMCWJNMBNMAZBL-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C ZINC001425932706 957646497 /nfs/dbraw/zinc/64/64/97/957646497.db2.gz DWIDEMVXSBQPIF-HUUCEWRRSA-N 2 0 283.460 1.952 10 0 CDAERP COCCC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001317972887 957837111 /nfs/dbraw/zinc/83/71/11/957837111.db2.gz NEHGZKGRHOGYHV-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP C[N@H+](CCNC(=O)C[NH2+]C(C)(C)C)C1CCCCC1 ZINC001318260464 958005172 /nfs/dbraw/zinc/00/51/72/958005172.db2.gz LFSNZPVLNVNLJB-UHFFFAOYSA-N 2 0 269.433 1.755 10 0 CDAERP C[C@H](C[NH2+]Cc1cncs1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001367680640 958210080 /nfs/dbraw/zinc/21/00/80/958210080.db2.gz KQBKOAOGFBGODB-DGCLKSJQSA-N 2 0 296.440 1.222 10 0 CDAERP C[C@H](C[NH2+]C[C@H]1CCOC1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001367695862 958223883 /nfs/dbraw/zinc/22/38/83/958223883.db2.gz UHGPJCAEQXUBBG-ZIAGYGMSSA-N 2 0 299.459 1.095 10 0 CDAERP CCCC[NH2+]C[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001319204517 958432564 /nfs/dbraw/zinc/43/25/64/958432564.db2.gz GEZWFSIHUPVXTO-CQSZACIVSA-N 2 0 281.444 1.757 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C[NH2+]CCC1CC1 ZINC001319207930 958435641 /nfs/dbraw/zinc/43/56/41/958435641.db2.gz JKBYCFRWKOTPDX-HIFRSBDPSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001367861624 958438487 /nfs/dbraw/zinc/43/84/87/958438487.db2.gz FTQYNWXHABXNMR-LSDHHAIUSA-N 2 0 283.460 2.000 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]CC[C@@H](C)F ZINC001319592064 958644944 /nfs/dbraw/zinc/64/49/44/958644944.db2.gz GQGYPPCQWFZSPN-OLZOCXBDSA-N 2 0 275.412 1.511 10 0 CDAERP CC[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CCF ZINC001495001330 972370694 /nfs/dbraw/zinc/37/06/94/972370694.db2.gz STYSRHVAQOVUKM-STQMWFEESA-N 2 0 273.396 1.315 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001368642331 959013094 /nfs/dbraw/zinc/01/30/94/959013094.db2.gz WAHHNYVALVXHIB-GPEUJJIWSA-N 2 0 285.819 1.414 10 0 CDAERP CCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC[NH+](C)C ZINC001368692566 959047303 /nfs/dbraw/zinc/04/73/03/959047303.db2.gz GBIRHLAWUPGXCF-VNQPRFMTSA-N 2 0 295.471 1.953 10 0 CDAERP COCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001368956448 959328987 /nfs/dbraw/zinc/32/89/87/959328987.db2.gz AAIBMFSZYRVTOW-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP CCN(CCNCc1coc(C)n1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001320694619 959333267 /nfs/dbraw/zinc/33/32/67/959333267.db2.gz SAEFAUPBXSHNDZ-AWEZNQCLSA-N 2 0 294.399 1.015 10 0 CDAERP CCN(CC[NH2+]CCC(C)C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001320770508 959379420 /nfs/dbraw/zinc/37/94/20/959379420.db2.gz YHSPUNMEIYVSAR-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C1C[NH+](CCCF)C1)[NH+](C)C ZINC001369072221 959440763 /nfs/dbraw/zinc/44/07/63/959440763.db2.gz HHSLKFSATGFLLQ-DGCLKSJQSA-N 2 0 273.396 1.123 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC2CCC2)C1)[NH+](C)C ZINC001369161760 959493376 /nfs/dbraw/zinc/49/33/76/959493376.db2.gz GCOPTIAPAWOKLJ-JYJNAYRXSA-N 2 0 295.471 1.857 10 0 CDAERP CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1CCC ZINC001369512468 959723139 /nfs/dbraw/zinc/72/31/39/959723139.db2.gz SKFNDGZNKIODHP-GJZGRUSLSA-N 2 0 299.459 1.022 10 0 CDAERP CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[NH+]1CC ZINC001369516591 959725461 /nfs/dbraw/zinc/72/54/61/959725461.db2.gz RWMWYUFSNXDCPL-HUUCEWRRSA-N 2 0 299.459 1.022 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC/C=C\C[NH2+]C/C=C/Cl ZINC001321420088 959778044 /nfs/dbraw/zinc/77/80/44/959778044.db2.gz RLVSYKOSVWGKBU-SCFJQAPRSA-N 2 0 273.808 1.341 10 0 CDAERP CC[N@H+](C)[C@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001370046754 959969285 /nfs/dbraw/zinc/96/92/85/959969285.db2.gz LUPAXSJJGUBOEY-DKUMPPAJSA-N 2 0 294.443 1.347 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CCCF ZINC001321906810 960011594 /nfs/dbraw/zinc/01/15/94/960011594.db2.gz JLOYUEMOHZOOPE-UONOGXRCSA-N 2 0 287.423 1.561 10 0 CDAERP C[C@H](F)CC[NH2+][C@@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001370214576 960023993 /nfs/dbraw/zinc/02/39/93/960023993.db2.gz LZDLRVIIUPVLOP-WFASDCNBSA-N 2 0 299.434 1.561 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001370389599 960081862 /nfs/dbraw/zinc/08/18/62/960081862.db2.gz BKJIDJYKZOITTG-RWMBFGLXSA-N 2 0 271.380 1.019 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001370521396 960137990 /nfs/dbraw/zinc/13/79/90/960137990.db2.gz SKLISOIPQFGMEO-AAVRWANBSA-N 2 0 285.407 1.313 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001370630210 960169339 /nfs/dbraw/zinc/16/93/39/960169339.db2.gz DBFBLVHHNCZTPA-ITBORSCJSA-N 2 0 299.846 1.850 10 0 CDAERP CCCC[N@@H+]1CCC[C@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001370785811 960200943 /nfs/dbraw/zinc/20/09/43/960200943.db2.gz QXFVOLCJPKVJFM-JKSUJKDBSA-N 2 0 295.471 1.957 10 0 CDAERP CN(CCC[NH2+]CC1CCC1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001322510897 960245176 /nfs/dbraw/zinc/24/51/76/960245176.db2.gz CNFDTQNDHPATOM-INIZCTEOSA-N 2 0 293.455 1.566 10 0 CDAERP C[C@H]1CCC[N@H+](CCNC(=O)CC[NH+]2CC[C@H](F)C2)C1 ZINC001433609904 960446795 /nfs/dbraw/zinc/44/67/95/960446795.db2.gz VKDGOOKOYIWKPZ-KBPBESRZSA-N 2 0 285.407 1.268 10 0 CDAERP CCN(CCC[NH+]1CCCC1)C(=O)[C@@H](C)CC[NH+](C)C ZINC001433914604 960731830 /nfs/dbraw/zinc/73/18/30/960731830.db2.gz CAVRQVGNLFGZJE-HNNXBMFYSA-N 2 0 283.460 1.909 10 0 CDAERP CCCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001419639718 961905961 /nfs/dbraw/zinc/90/59/61/961905961.db2.gz WOQDDRREOSWQNH-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CCC1CC1 ZINC001419831051 962140339 /nfs/dbraw/zinc/14/03/39/962140339.db2.gz SGOJVVXNMGUDAS-CYBMUJFWSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CCCF)[NH+](C)C ZINC001436322699 962177801 /nfs/dbraw/zinc/17/78/01/962177801.db2.gz NZCZTLNUCKJHAB-QWHCGFSZSA-N 2 0 273.396 1.219 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H](C[NH2+]C(C)C)C1 ZINC001419986992 962333856 /nfs/dbraw/zinc/33/38/56/962333856.db2.gz JMYDIFNFVZZOJJ-ZIAGYGMSSA-N 2 0 287.423 1.513 10 0 CDAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CC[N@H+](C)CC1CC1 ZINC001420061425 962436149 /nfs/dbraw/zinc/43/61/49/962436149.db2.gz LFFDYZZNXQHGIH-KBPBESRZSA-N 2 0 281.444 1.659 10 0 CDAERP CC[C@@H](C)C[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001436829892 962443671 /nfs/dbraw/zinc/44/36/71/962443671.db2.gz SCZXCBNEYLJVLK-HIFRSBDPSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001437166846 962693321 /nfs/dbraw/zinc/69/33/21/962693321.db2.gz LQQFENSUMNCNMU-AWEZNQCLSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H](C[NH2+]Cc1cc(C2CC2)no1)NC(=O)CC[NH+](C)C ZINC001420336205 962755783 /nfs/dbraw/zinc/75/57/83/962755783.db2.gz CBFJPCCNDBVFFX-LLVKDONJSA-N 2 0 294.399 1.098 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001437280762 962783679 /nfs/dbraw/zinc/78/36/79/962783679.db2.gz MJMQDFXHJJCAEP-CABCVRRESA-N 2 0 293.455 1.851 10 0 CDAERP C[C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCC(F)(F)F ZINC001437375527 962849697 /nfs/dbraw/zinc/84/96/97/962849697.db2.gz NNBDNFBYXVUFLF-MNOVXSKESA-N 2 0 295.349 1.517 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001437464252 962930890 /nfs/dbraw/zinc/93/08/90/962930890.db2.gz XBWPNAAQKWUFDO-YNEHKIRRSA-N 2 0 273.396 1.123 10 0 CDAERP CC[C@H](C[N@@H+]1CC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1)OC ZINC001420556515 963058321 /nfs/dbraw/zinc/05/83/21/963058321.db2.gz LOTBBHXJLUSFLR-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001437743508 963157030 /nfs/dbraw/zinc/15/70/30/963157030.db2.gz NLZJPVWQLDMFJS-KBPBESRZSA-N 2 0 285.407 1.268 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NCC[C@H]2CC[NH+](CCCF)C2)C1 ZINC001437938537 963250027 /nfs/dbraw/zinc/25/00/27/963250027.db2.gz JHCMHIUJPXKPGW-GJZGRUSLSA-N 2 0 299.434 1.516 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@H]([NH2+]C/C=C\Cl)C2)C1 ZINC001438009830 963282093 /nfs/dbraw/zinc/28/20/93/963282093.db2.gz MBFLXRQZKUFBMI-VOIRRYAFSA-N 2 0 299.846 1.661 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001420854133 963302485 /nfs/dbraw/zinc/30/24/85/963302485.db2.gz NANRNWBFFNIRAV-GDBMZVCRSA-N 2 0 293.455 1.565 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1([NH2+]CCF)CC1 ZINC001421007509 963412565 /nfs/dbraw/zinc/41/25/65/963412565.db2.gz VMWKVVTVNPJVBY-TXEJJXNPSA-N 2 0 271.380 1.067 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CC2CC(C)C2)C1 ZINC001421018890 963417960 /nfs/dbraw/zinc/41/79/60/963417960.db2.gz XRRGEJCSXBQADQ-GPANFISMSA-N 2 0 295.471 1.953 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@@]1(C)CC[N@H+](CC)C1 ZINC001421209688 963500909 /nfs/dbraw/zinc/50/09/09/963500909.db2.gz PNKCEUKYAUXUAF-JSGCOSHPSA-N 2 0 273.396 1.267 10 0 CDAERP CC(C)C[C@H](C[NH2+]CC1CC1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001438737689 963539437 /nfs/dbraw/zinc/53/94/37/963539437.db2.gz SYOCOJHXRGEIPD-GOEBONIOSA-N 2 0 295.471 1.859 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CC1CC1 ZINC001421426679 963603092 /nfs/dbraw/zinc/60/30/92/963603092.db2.gz SXWAHULWXAPZAV-CABCVRRESA-N 2 0 279.428 1.223 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1ccc(C)cc1)[NH+](C)C ZINC001439134607 963650208 /nfs/dbraw/zinc/65/02/08/963650208.db2.gz XZQRLBOENLSNLJ-GDBMZVCRSA-N 2 0 291.439 1.930 10 0 CDAERP Cc1ncsc1C[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001439178480 963663121 /nfs/dbraw/zinc/66/31/21/963663121.db2.gz BCBJZFABXRUVPS-LLVKDONJSA-N 2 0 296.440 1.142 10 0 CDAERP C[C@H](C[N@H+](C)Cc1cccnc1)NC(=O)[C@@H]1CCC[NH+]1C ZINC001439312616 963717151 /nfs/dbraw/zinc/71/71/51/963717151.db2.gz MUTGHDCZIZMALL-HIFRSBDPSA-N 2 0 290.411 1.112 10 0 CDAERP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@H+](C)CC[C@@H]1CCCO1 ZINC001439412633 963756870 /nfs/dbraw/zinc/75/68/70/963756870.db2.gz WWSNYKBMDDYKMG-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[NH+](CCF)C2 ZINC001440111431 963929571 /nfs/dbraw/zinc/92/95/71/963929571.db2.gz NWVFORMWJNDOLX-MJBXVCDLSA-N 2 0 285.407 1.267 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001440130374 963932586 /nfs/dbraw/zinc/93/25/86/963932586.db2.gz GYJUGNRRMNZFJB-CABCVRRESA-N 2 0 283.460 1.668 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001440354956 963996727 /nfs/dbraw/zinc/99/67/27/963996727.db2.gz GUIBLHQYBNRSTM-UONOGXRCSA-N 2 0 299.434 1.705 10 0 CDAERP CC[C@@H](C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)CC1)OC ZINC001440399538 964018432 /nfs/dbraw/zinc/01/84/32/964018432.db2.gz UFOBDNDBCUPSTK-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP CCC[NH2+]C1(C)CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001440613024 964119648 /nfs/dbraw/zinc/11/96/48/964119648.db2.gz JKUUKGCHUNKYRI-KRWDZBQOSA-N 2 0 293.455 1.853 10 0 CDAERP C[C@H](F)CC[N@H+](C)[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001440962447 964291986 /nfs/dbraw/zinc/29/19/86/964291986.db2.gz KMIDIZILUPGBIS-STQMWFEESA-N 2 0 287.423 1.513 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001441110442 964367558 /nfs/dbraw/zinc/36/75/58/964367558.db2.gz QBQXEFVLESUAQE-INIZCTEOSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001441189691 964411617 /nfs/dbraw/zinc/41/16/17/964411617.db2.gz FGMHFDFFQZPWPI-GJZGRUSLSA-N 2 0 281.444 1.752 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]C(C)C)C1CC1 ZINC001441292435 964451578 /nfs/dbraw/zinc/45/15/78/964451578.db2.gz GSBBOHICWCMBEJ-LSDHHAIUSA-N 2 0 281.444 1.754 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001441483093 964540481 /nfs/dbraw/zinc/54/04/81/964540481.db2.gz LDNYLZKEKYXDKY-APIJFGDWSA-N 2 0 281.444 1.610 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccns2)C1 ZINC001441553051 964586204 /nfs/dbraw/zinc/58/62/04/964586204.db2.gz XJXBQKPWTQRUIK-TXEJJXNPSA-N 2 0 296.440 1.220 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]CC1CCC1)C(C)(C)C ZINC001442193070 964906555 /nfs/dbraw/zinc/90/65/55/964906555.db2.gz YBCSGYZNEQMZEV-AWEZNQCLSA-N 2 0 283.460 1.859 10 0 CDAERP C[N@H+](C/C=C\Cl)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001442218734 964929479 /nfs/dbraw/zinc/92/94/79/964929479.db2.gz URALPGFNQJDPND-KUTPXYQMSA-N 2 0 299.846 1.613 10 0 CDAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[C@@H]2[NH3+])C1 ZINC001346105045 964929635 /nfs/dbraw/zinc/92/96/35/964929635.db2.gz POWOVKUWALJYQI-IHRRRGAJSA-N 2 0 267.417 1.304 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)CC[C@H](C)F ZINC001442671377 965170265 /nfs/dbraw/zinc/17/02/65/965170265.db2.gz CBCLHQVNCJXPIH-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC[C@H](C)F ZINC001443168176 965379984 /nfs/dbraw/zinc/37/99/84/965379984.db2.gz RFVGNCMPERRBEF-SOUVJXGZSA-N 2 0 299.434 1.752 10 0 CDAERP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CCF ZINC001443933898 965673152 /nfs/dbraw/zinc/67/31/52/965673152.db2.gz MXHPYQNOVDZJGW-DZGCQCFKSA-N 2 0 299.434 1.847 10 0 CDAERP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccccc1 ZINC001443982514 965699029 /nfs/dbraw/zinc/69/90/29/965699029.db2.gz GDORGYBSMQTSRR-OAHLLOKOSA-N 2 0 277.412 1.623 10 0 CDAERP CC[C@@H]1CCN(C(=[NH2+])NCCC2CC[NH+](C)CC2)C1 ZINC001348501268 966030365 /nfs/dbraw/zinc/03/03/65/966030365.db2.gz HRSQUWJCSMTTEJ-CYBMUJFWSA-N 2 0 266.433 1.975 10 0 CDAERP Cc1nc[nH]c1CC(=O)N[C@H](C)C[N@@H+](C)CC[C@@H](C)F ZINC001445847478 966364638 /nfs/dbraw/zinc/36/46/38/966364638.db2.gz ATMYFJMCQYOQTJ-GHMZBOCLSA-N 2 0 284.379 1.445 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@]1(C)CCC[NH+](CCF)C1 ZINC001446669487 966610269 /nfs/dbraw/zinc/61/02/69/966610269.db2.gz BGYXEDIZJOOXIO-HOCLYGCPSA-N 2 0 299.434 1.659 10 0 CDAERP CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001447370617 966770911 /nfs/dbraw/zinc/77/09/11/966770911.db2.gz GGKIPIDPUOBTET-CVEARBPZSA-N 2 0 295.471 1.909 10 0 CDAERP CC[C@@H](C)C[NH2+]CC1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001447818658 966885241 /nfs/dbraw/zinc/88/52/41/966885241.db2.gz RHHSJLRWNSIVBJ-WLYUNCDWSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@@H]([NH2+]CC1CCC1)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001447908148 966926026 /nfs/dbraw/zinc/92/60/26/966926026.db2.gz SISFPVRSVTYGKS-OLZOCXBDSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@@H](F)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001448452409 967115966 /nfs/dbraw/zinc/11/59/66/967115966.db2.gz SVPVFEKMMYSZGW-TUVASFSCSA-N 2 0 297.418 1.124 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC001449654055 967521594 /nfs/dbraw/zinc/52/15/94/967521594.db2.gz HMVWRVKCPLUKDQ-ZDUSSCGKSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC001472262907 968497048 /nfs/dbraw/zinc/49/70/48/968497048.db2.gz GATRQSMZLCPXGZ-CYBMUJFWSA-N 2 0 271.449 1.620 10 0 CDAERP C[C@H](O)[C@H](C)[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001460941579 969568856 /nfs/dbraw/zinc/56/88/56/969568856.db2.gz KITMMTPUKOCCJD-KBPBESRZSA-N 2 0 270.417 1.069 10 0 CDAERP CC[N@H+](C)[C@@H]1CCN(C(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC001413895647 969671613 /nfs/dbraw/zinc/67/16/13/969671613.db2.gz RKCYRTZXEXNKQF-ZIAGYGMSSA-N 2 0 296.459 1.595 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC001464824183 969822021 /nfs/dbraw/zinc/82/20/21/969822021.db2.gz FEQKHQODBDFOJV-QWHCGFSZSA-N 2 0 255.406 1.127 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC001465798857 969898753 /nfs/dbraw/zinc/89/87/53/969898753.db2.gz VAAHXUREUGANAJ-QLFBSQMISA-N 2 0 281.444 1.517 10 0 CDAERP CC[N@@H+]1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C[C@@H]1C ZINC001466103324 969924057 /nfs/dbraw/zinc/92/40/57/969924057.db2.gz JWJYQRCNULPRAC-ZNMIVQPWSA-N 2 0 281.444 1.659 10 0 CDAERP CC[C@H](C[NH+](C)C)OC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001516657171 969947626 /nfs/dbraw/zinc/94/76/26/969947626.db2.gz NZHXIGUZXYJLKK-OLZOCXBDSA-N 2 0 256.390 1.743 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC001466489687 969962329 /nfs/dbraw/zinc/96/23/29/969962329.db2.gz QVVRMQDVLTZEEV-AGIUHOORSA-N 2 0 255.406 1.125 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC=C(C)C ZINC001480598026 970074998 /nfs/dbraw/zinc/07/49/98/970074998.db2.gz XWFJHQVKPWILBM-CABCVRRESA-N 2 0 281.444 1.921 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC=C(C)C ZINC001480598027 970075875 /nfs/dbraw/zinc/07/58/75/970075875.db2.gz XWFJHQVKPWILBM-GJZGRUSLSA-N 2 0 281.444 1.921 10 0 CDAERP C[C@]1(NC(=O)CC[N@@H+]2CC[C@@H](F)C2)C[NH+]2CCC1CC2 ZINC001469998484 970284052 /nfs/dbraw/zinc/28/40/52/970284052.db2.gz YAILYFOJHVTUCL-HIFRSBDPSA-N 2 0 283.391 1.021 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)NC[C@H]2CCC[NH+]2C)C1 ZINC001470206046 970301115 /nfs/dbraw/zinc/30/11/15/970301115.db2.gz MUGSFFLPBDBGIY-UONOGXRCSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC001361680211 970413254 /nfs/dbraw/zinc/41/32/54/970413254.db2.gz PXDZQRBVUXUHFZ-HNNXBMFYSA-N 2 0 291.439 1.822 10 0 CDAERP O=C(CC[N@H+]1CC[C@@H](F)C1)N1CC[NH+](C2CCCC2)CC1 ZINC001361789734 970530963 /nfs/dbraw/zinc/53/09/63/970530963.db2.gz ZGFUMNGRCWXWHY-CQSZACIVSA-N 2 0 297.418 1.507 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)CC[N@@H+]2CC[C@H](F)C2)CC1 ZINC001361931829 970688694 /nfs/dbraw/zinc/68/86/94/970688694.db2.gz JJWPPWANCRUGGV-AWEZNQCLSA-N 2 0 299.434 1.801 10 0 CDAERP CC/C=C\CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001495591539 972547614 /nfs/dbraw/zinc/54/76/14/972547614.db2.gz MJVFKLCCPHHZHL-XETQRACLSA-N 2 0 293.455 1.875 10 0 CDAERP CC[C@H](C(=O)NCC[C@@H](C)[NH2+]CC1CCOCC1)[NH+](C)C ZINC001371869285 972662289 /nfs/dbraw/zinc/66/22/89/972662289.db2.gz MRYXNRORMJYSQE-UKRRQHHQSA-N 2 0 299.459 1.238 10 0 CDAERP C[C@H](C[NH2+]CCC1CC1)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001496078221 972787108 /nfs/dbraw/zinc/78/71/08/972787108.db2.gz GDHMMLNRYXMDFL-CYBMUJFWSA-N 2 0 281.444 1.707 10 0 CDAERP CO[C@H](C)C[N@@H+]1CC[C@@](C)(NC(=O)CCCC[NH+](C)C)C1 ZINC001569650855 1169952676 /nfs/dbraw/zinc/95/26/76/1169952676.db2.gz JQBHXCPHWZEVHW-GDBMZVCRSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)CCC[N@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001372162313 972824489 /nfs/dbraw/zinc/82/44/89/972824489.db2.gz VUPPZSCTEJKOBB-UHFFFAOYSA-N 2 0 283.460 1.812 10 0 CDAERP CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CCCC[NH+](C)C ZINC001496484600 972938641 /nfs/dbraw/zinc/93/86/41/972938641.db2.gz CSVPLXYXKANSBQ-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@@H](C(=O)NCCN(CC)Cc1ocnc1C)[NH+](C)C ZINC001372416446 972948967 /nfs/dbraw/zinc/94/89/67/972948967.db2.gz WWNUPJCZFQFQFS-ZDUSSCGKSA-N 2 0 296.415 1.261 10 0 CDAERP O=C(CC[N@H+]1CC[C@H](F)C1)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC001417615062 973199506 /nfs/dbraw/zinc/19/95/06/973199506.db2.gz ALJIURXXXRZHTH-STQMWFEESA-N 2 0 283.391 1.021 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CC[NH2+]CC(C)C)CC[N@@H+]1C ZINC001497195347 973241532 /nfs/dbraw/zinc/24/15/32/973241532.db2.gz PRZALZFBLPAJGM-SOUVJXGZSA-N 2 0 283.460 1.857 10 0 CDAERP CCN(CC[NH2+]CC(C)C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001497501351 973370112 /nfs/dbraw/zinc/37/01/12/973370112.db2.gz TYWNUSQNVUQJTI-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]1C[C@@H]([NH2+]C[C@@H](C)CC)C1)[NH+](C)C ZINC001417798790 973394733 /nfs/dbraw/zinc/39/47/33/973394733.db2.gz OYJMMUJCSXWDFL-ZQDZILKHSA-N 2 0 283.460 1.857 10 0 CDAERP C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+]1CC[C@H](F)C1)C2 ZINC001417871339 973434033 /nfs/dbraw/zinc/43/40/33/973434033.db2.gz XDLDVEFWXQTOMQ-HOCLYGCPSA-N 2 0 297.418 1.365 10 0 CDAERP CC[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001497621533 973438611 /nfs/dbraw/zinc/43/86/11/973438611.db2.gz PWQFACYQANIUNP-GEXIGZQTSA-N 2 0 267.417 1.389 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C[NH2+]C(C)C)[NH+](CC)CC ZINC001497908549 973574285 /nfs/dbraw/zinc/57/42/85/973574285.db2.gz PKMJOMVBMBODPS-CHWSQXEVSA-N 2 0 257.422 1.610 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC[C@H](C)F)C1 ZINC001418112317 973592350 /nfs/dbraw/zinc/59/23/50/973592350.db2.gz FWQUPSIRIDRJJO-XQLPTFJDSA-N 2 0 299.434 1.846 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)NCc1nocc1C ZINC001373779132 973636346 /nfs/dbraw/zinc/63/63/46/973636346.db2.gz HRDZHUUSVJUSED-TZMCWYRMSA-N 2 0 294.399 1.062 10 0 CDAERP CC[NH2+][C@@H](C)CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001418295673 973733476 /nfs/dbraw/zinc/73/34/76/973733476.db2.gz HPOKINXEEAZKTE-ZFWWWQNUSA-N 2 0 277.412 1.794 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1ccns1 ZINC001498197142 973736484 /nfs/dbraw/zinc/73/64/84/973736484.db2.gz FTCYGWUNJQSLRZ-NSHDSACASA-N 2 0 284.429 1.078 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001418345133 973758348 /nfs/dbraw/zinc/75/83/48/973758348.db2.gz ROBKNFWRLJDBON-GJZGRUSLSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CC1CCC1 ZINC001418396003 973797121 /nfs/dbraw/zinc/79/71/21/973797121.db2.gz MXHMCNGQZUSHIS-BBRMVZONSA-N 2 0 293.455 1.613 10 0 CDAERP C[C@H](C[NH2+]Cc1cncs1)N(C)C(=O)CCC[NH+](C)C ZINC001374288013 973874813 /nfs/dbraw/zinc/87/48/13/973874813.db2.gz PNIYHCZDYIVHQB-GFCCVEGCSA-N 2 0 298.456 1.421 10 0 CDAERP CC(C)[C@H](C(=O)N[C@@H](C)C[N@H+](C)CC1CC1)[NH+]1CCCC1 ZINC001498457727 973927589 /nfs/dbraw/zinc/92/75/89/973927589.db2.gz SUIIJRVVGVHXEK-GOEBONIOSA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@H](C(=O)N1CC[C@](C)(C[NH2+]CCCOC)C1)[NH+](C)C ZINC001569691433 1169968785 /nfs/dbraw/zinc/96/87/85/1169968785.db2.gz ZNRXXVPWAQJSDX-GDBMZVCRSA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@@H](F)C[N@H+](CC)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001418553743 973961173 /nfs/dbraw/zinc/96/11/73/973961173.db2.gz ACZUOLKOAGEXDC-CQSZACIVSA-N 2 0 299.434 1.801 10 0 CDAERP COCCCCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001498944130 974125586 /nfs/dbraw/zinc/12/55/86/974125586.db2.gz MPUXHACPOXZNDI-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@H](C[NH2+]Cc1ccccc1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001374801228 974130098 /nfs/dbraw/zinc/13/00/98/974130098.db2.gz XTGKBHAIMCRBTG-ZBFHGGJFSA-N 2 0 289.423 1.765 10 0 CDAERP C[NH+](C)CCCCC(=O)NC[C@H]1CC[N@@H+]1CC1CC1 ZINC001499102350 974186611 /nfs/dbraw/zinc/18/66/11/974186611.db2.gz REHZRUBHFMTXDZ-CQSZACIVSA-N 2 0 267.417 1.319 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001499926894 974327391 /nfs/dbraw/zinc/32/73/91/974327391.db2.gz VIFLCGXKUYLBTI-STQMWFEESA-N 2 0 255.406 1.317 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCCF ZINC001499905527 974331431 /nfs/dbraw/zinc/33/14/31/974331431.db2.gz RLUDEQDAGRNQPJ-UONOGXRCSA-N 2 0 285.407 1.411 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]1CC[N@@H+]1CC1CC(C)(C)C1)[NH+](C)C ZINC001375364615 974351812 /nfs/dbraw/zinc/35/18/12/974351812.db2.gz QELQJQLHJMUTGQ-LSDHHAIUSA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@H](F)C[NH2+]C1(CNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001375428857 974377880 /nfs/dbraw/zinc/37/78/80/974377880.db2.gz ICGTZWLUQVCEBO-LBPRGKRZSA-N 2 0 285.407 1.457 10 0 CDAERP CC(C)C[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001500125945 974379784 /nfs/dbraw/zinc/37/97/84/974379784.db2.gz KPDKCLQHUJRZIN-JKSUJKDBSA-N 2 0 295.471 1.859 10 0 CDAERP CN(C[C@H]1CC[N@@H+]1C[C@@H]1CCCCO1)C(=O)CC[NH+](C)C ZINC001375463699 974393952 /nfs/dbraw/zinc/39/39/52/974393952.db2.gz AQXZQGAELIMHCV-CABCVRRESA-N 2 0 297.443 1.040 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)CC ZINC001375480388 974400593 /nfs/dbraw/zinc/40/05/93/974400593.db2.gz XBMVYCQQVUSUFA-HUUCEWRRSA-N 2 0 283.460 1.907 10 0 CDAERP CC[C@H](C(=O)N[C@@]1(C)CC[N@H+](CCOC)C1)[NH+](CC)CC ZINC001500258410 974410980 /nfs/dbraw/zinc/41/09/80/974410980.db2.gz SIOGDFGKABZQSD-ZBFHGGJFSA-N 2 0 299.459 1.334 10 0 CDAERP CCCC[NH2+]C[C@@]1(C)CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001500396950 974432260 /nfs/dbraw/zinc/43/22/60/974432260.db2.gz KUXTUBKDIOKLQE-MRXNPFEDSA-N 2 0 283.460 1.957 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@@H]([NH2+]CCF)C1 ZINC001376462940 974668709 /nfs/dbraw/zinc/66/87/09/974668709.db2.gz JSIZKCAJOWRYIS-FRRDWIJNSA-N 2 0 271.380 1.067 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001376608336 974695125 /nfs/dbraw/zinc/69/51/25/974695125.db2.gz YYFQPDDZDKEMLW-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001376609527 974695940 /nfs/dbraw/zinc/69/59/40/974695940.db2.gz KYJHLOKACLXPGA-HUUCEWRRSA-N 2 0 299.434 1.801 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCC[NH+](CCF)CC1 ZINC001502125477 974700563 /nfs/dbraw/zinc/70/05/63/974700563.db2.gz DETASQURKLLLOG-CABCVRRESA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]CC1CCCC1)[NH+](C)C ZINC001376752469 974755351 /nfs/dbraw/zinc/75/53/51/974755351.db2.gz YNSCTNNGNNGMSM-ZFWWWQNUSA-N 2 0 283.460 1.857 10 0 CDAERP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CC1CCCC1 ZINC001376804677 974777178 /nfs/dbraw/zinc/77/71/78/974777178.db2.gz DLIAXNUMSVRMKT-ZDUSSCGKSA-N 2 0 281.444 1.613 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CC[C@H]1CCCCO1 ZINC001377135645 974899361 /nfs/dbraw/zinc/89/93/61/974899361.db2.gz YUZVNIBSJJPBQB-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CCC[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCCCC1 ZINC001506525141 975173170 /nfs/dbraw/zinc/17/31/70/975173170.db2.gz CFLPRQPCGKXNDT-AWEZNQCLSA-N 2 0 281.444 1.757 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CCCF)C[C@H]1C ZINC001507338184 975422551 /nfs/dbraw/zinc/42/25/51/975422551.db2.gz IGOLICWLLNFSKE-OLZOCXBDSA-N 2 0 273.396 1.265 10 0 CDAERP CCC[N@@H+]1CC[C@]2(NC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001507349436 975426333 /nfs/dbraw/zinc/42/63/33/975426333.db2.gz UVTQVOBGCNOJLI-GDBMZVCRSA-N 2 0 281.444 1.851 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1CCCF ZINC001507383335 975443238 /nfs/dbraw/zinc/44/32/38/975443238.db2.gz OEWPEKVZBQDPQK-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP C[C@@H](F)CC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C ZINC001507452368 975474831 /nfs/dbraw/zinc/47/48/31/975474831.db2.gz MCLQGMNCRVTZDT-ZIAGYGMSSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)(C(=O)NCC1C[NH+](CCC2CC2)C1)[NH+]1CCCC1 ZINC001404905945 975536522 /nfs/dbraw/zinc/53/65/22/975536522.db2.gz VWQSWQCNTLBPQK-UHFFFAOYSA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]CC1CCCC1 ZINC001401266354 975555691 /nfs/dbraw/zinc/55/56/91/975555691.db2.gz LKFMRWKTXRMAHD-AWEZNQCLSA-N 2 0 283.460 1.953 10 0 CDAERP CC[NH2+]C1CC(N(C)C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001508132745 975617072 /nfs/dbraw/zinc/61/70/72/975617072.db2.gz ATKDLTPKXFXJBD-JXQTWKCFSA-N 2 0 269.433 1.706 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001401383087 975633550 /nfs/dbraw/zinc/63/35/50/975633550.db2.gz KOWWYFAQAZSZHZ-UONOGXRCSA-N 2 0 287.423 1.467 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCC(C)C)[C@@H]1C)[NH+](C)C ZINC001397799818 975724378 /nfs/dbraw/zinc/72/43/78/975724378.db2.gz PWWLOTPOVYEPGP-ILXRZTDVSA-N 2 0 283.460 1.952 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)C[NH2+]CC2CC2)C1 ZINC001401697508 975804160 /nfs/dbraw/zinc/80/41/60/975804160.db2.gz MLLGIYQXQDTHIW-DZGCQCFKSA-N 2 0 281.444 1.613 10 0 CDAERP CCC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)C1CC1 ZINC001389695340 975951206 /nfs/dbraw/zinc/95/12/06/975951206.db2.gz RRGUEEDSQBLUEJ-LSDHHAIUSA-N 2 0 281.444 1.755 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]([NH2+]CC(C)C)C1 ZINC001389775307 975982815 /nfs/dbraw/zinc/98/28/15/975982815.db2.gz SXRHBICBUHUVEB-KBPBESRZSA-N 2 0 287.423 1.513 10 0 CDAERP CC(C)CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001398453498 975990529 /nfs/dbraw/zinc/99/05/29/975990529.db2.gz IUBFLMDSWMSCFO-GJZGRUSLSA-N 2 0 281.444 1.469 10 0 CDAERP CC(C)CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001398453506 975991001 /nfs/dbraw/zinc/99/10/01/975991001.db2.gz IUBFLMDSWMSCFO-HUUCEWRRSA-N 2 0 281.444 1.469 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001389859147 976020528 /nfs/dbraw/zinc/02/05/28/976020528.db2.gz IJXKUFDYIOCFBN-TUVASFSCSA-N 2 0 299.434 1.846 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001398542715 976030401 /nfs/dbraw/zinc/03/04/01/976030401.db2.gz ZJPVZBOJMMKJTK-MGPQQGTHSA-N 2 0 297.418 1.600 10 0 CDAERP COC[C@@H](C)[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001401944855 976032531 /nfs/dbraw/zinc/03/25/31/976032531.db2.gz NMMGDQATPVXQOL-ZIAGYGMSSA-N 2 0 297.443 1.133 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001398675329 976102280 /nfs/dbraw/zinc/10/22/80/976102280.db2.gz XLPJULWCTNXZLR-IGQOVBAYSA-N 2 0 287.423 1.558 10 0 CDAERP CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001398696771 976113096 /nfs/dbraw/zinc/11/30/96/976113096.db2.gz RNGVWHLYEWFSLP-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](C)C[NH2+]C1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001380174520 976278735 /nfs/dbraw/zinc/27/87/35/976278735.db2.gz ADHUKVCHFVGBGU-WLYUNCDWSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H](F)CC[NH2+][C@@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001399028032 976295578 /nfs/dbraw/zinc/29/55/78/976295578.db2.gz OTFADYTWVJFAKI-STQMWFEESA-N 2 0 289.439 1.807 10 0 CDAERP CC(C)CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001390557696 976366598 /nfs/dbraw/zinc/36/65/98/976366598.db2.gz PNUABHLIKRIQGU-HNNXBMFYSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@H](C(=O)N[C@]1(C)CC[N@H+](CCC2CC2)C1)[NH+](C)C ZINC001380356004 976374659 /nfs/dbraw/zinc/37/46/59/976374659.db2.gz UXLINGYLTVXALO-GDBMZVCRSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]C/C=C\Cl)C2)CC[N@@H+]1C ZINC001402589689 976384274 /nfs/dbraw/zinc/38/42/74/976384274.db2.gz DGBOVKBTMDLUSN-GRFVFMAASA-N 2 0 299.846 1.706 10 0 CDAERP CC(C)C[NH2+]C1(CNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001406937965 976487235 /nfs/dbraw/zinc/48/72/35/976487235.db2.gz MWKIILJCUHMZES-UHFFFAOYSA-N 2 0 293.455 1.757 10 0 CDAERP CN(C(=O)CCC[NH+](C)C)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC001407051233 976529167 /nfs/dbraw/zinc/52/91/67/976529167.db2.gz GQYGTMSVRCZDHY-UHFFFAOYSA-N 2 0 295.471 1.907 10 0 CDAERP Cc1cc(C[N@@H+](C)CCNC(=O)CC[NH+](C)C)c(C)s1 ZINC001399573122 976578409 /nfs/dbraw/zinc/57/84/09/976578409.db2.gz UXAGELCBZJXBBV-UHFFFAOYSA-N 2 0 297.468 1.865 10 0 CDAERP Cc1ccc(F)cc1C[N@@H+](C)CCNC(=O)CC[NH+](C)C ZINC001399574495 976578736 /nfs/dbraw/zinc/57/87/36/976578736.db2.gz ZAVNUGZYTIMCBH-UHFFFAOYSA-N 2 0 295.402 1.634 10 0 CDAERP CCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001402936382 976601088 /nfs/dbraw/zinc/60/10/88/976601088.db2.gz MXZBUBGVRWYLIF-LSDHHAIUSA-N 2 0 281.444 1.661 10 0 CDAERP CC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)CCC1CC1 ZINC001399752891 976669123 /nfs/dbraw/zinc/66/91/23/976669123.db2.gz JZNCYWCOALXUFG-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP CC[C@H](C(=O)N(C)C1CCC([NH2+]CCF)CC1)[NH+](C)C ZINC001403058039 976685007 /nfs/dbraw/zinc/68/50/07/976685007.db2.gz LBICHWYIFGOQCW-JXQTWKCFSA-N 2 0 287.423 1.655 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001407553836 976695627 /nfs/dbraw/zinc/69/56/27/976695627.db2.gz DPZMMTHPBIJNGZ-SHTZXODSSA-N 2 0 283.460 1.859 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1C[C@H]1CCCCO1 ZINC001399871007 976710617 /nfs/dbraw/zinc/71/06/17/976710617.db2.gz SQSHRSWRYUUCKI-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP C[NH+](C)CCC(=O)NCC[C@@H]1CC[N@H+](CCCF)C1 ZINC001391322907 976811726 /nfs/dbraw/zinc/81/17/26/976811726.db2.gz IMJPLHPATBJFOL-CYBMUJFWSA-N 2 0 273.396 1.126 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](CCNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001391321368 976813800 /nfs/dbraw/zinc/81/38/00/976813800.db2.gz DBVFKSDXGCIOCZ-JKSUJKDBSA-N 2 0 295.471 1.812 10 0 CDAERP CC[C@@H](C(=O)N1CC[C@H](C[N@H+](C)CCC2CC2)C1)[NH+](C)C ZINC001391360200 976836240 /nfs/dbraw/zinc/83/62/40/976836240.db2.gz PRXKSLBYZRDBEG-CVEARBPZSA-N 2 0 295.471 1.907 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NC2(C[NH2+]CC3CC3)CCCCC2)C1 ZINC001403270838 976844697 /nfs/dbraw/zinc/84/46/97/976844697.db2.gz VALPFXYYPRNSEC-OAHLLOKOSA-N 2 0 293.455 1.757 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001403274880 976847366 /nfs/dbraw/zinc/84/73/66/976847366.db2.gz PDVPFXKCLNDUCG-LSDHHAIUSA-N 2 0 293.455 1.566 10 0 CDAERP CCC[N@@H+]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001403376970 976922224 /nfs/dbraw/zinc/92/22/24/976922224.db2.gz FZDSFQBTDQXGTN-UONOGXRCSA-N 2 0 283.460 1.809 10 0 CDAERP CC(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001403395216 976932207 /nfs/dbraw/zinc/93/22/07/976932207.db2.gz NOUPOHPWCXPDTN-QKDCVEJESA-N 2 0 281.444 1.278 10 0 CDAERP CCCC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001400231540 976944335 /nfs/dbraw/zinc/94/43/35/976944335.db2.gz SHQJNKPJWLGSIH-HOTGVXAUSA-N 2 0 295.471 1.909 10 0 CDAERP C[C@@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccon1 ZINC001403446909 976959611 /nfs/dbraw/zinc/95/96/11/976959611.db2.gz QHJHYUSTKZJLQN-OLZOCXBDSA-N 2 0 294.399 1.001 10 0 CDAERP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](C[C@@H]2CCCCO2)C1 ZINC001391620766 976995886 /nfs/dbraw/zinc/99/58/86/976995886.db2.gz MJUOGXLIMXVSRV-CABCVRRESA-N 2 0 297.443 1.040 10 0 CDAERP CC[N@@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001381856298 977054799 /nfs/dbraw/zinc/05/47/99/977054799.db2.gz UYHUHXKQTXLREK-UONOGXRCSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H](F)CC[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001403557580 977062151 /nfs/dbraw/zinc/06/21/51/977062151.db2.gz PWBRTJXUYYUCKK-STQMWFEESA-N 2 0 287.423 1.655 10 0 CDAERP Cc1nc(C[NH2+]C[C@@H](C)CNC(=O)C[N@H+](C)C(C)C)co1 ZINC001391960057 977163235 /nfs/dbraw/zinc/16/32/35/977163235.db2.gz HPWHFCOVLOKZOO-GFCCVEGCSA-N 2 0 296.415 1.165 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]Cc2ccsc2)CN1C(=O)CC[NH+](C)C ZINC001403756310 977175297 /nfs/dbraw/zinc/17/52/97/977175297.db2.gz WWFZGVOJJULHOE-TZMCWYRMSA-N 2 0 295.452 1.779 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC1CCCCC1 ZINC001382163627 977194562 /nfs/dbraw/zinc/19/45/62/977194562.db2.gz QBZLITSBFAOFOX-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]C[C@@H]1CCCCO1 ZINC001400939657 977250654 /nfs/dbraw/zinc/25/06/54/977250654.db2.gz ZVXQQXDGJGPDRL-CABCVRRESA-N 2 0 297.443 1.136 10 0 CDAERP CC(C)CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001392223631 977272025 /nfs/dbraw/zinc/27/20/25/977272025.db2.gz DLOXUKFAXMRCAO-HUUCEWRRSA-N 2 0 283.460 1.857 10 0 CDAERP CC(C)CCC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001392265842 977294050 /nfs/dbraw/zinc/29/40/50/977294050.db2.gz ORAKIEFMUAIZHA-HNNXBMFYSA-N 2 0 283.460 1.907 10 0 CDAERP CC[C@@H](C(=O)NC[C@H]1CC[N@H+](CC2CC2)C1)[NH+](CC)CC ZINC001404099674 977336338 /nfs/dbraw/zinc/33/63/38/977336338.db2.gz VLROMFSHUFODIU-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001392863249 977629427 /nfs/dbraw/zinc/62/94/27/977629427.db2.gz LFUCZJCZGZQWAJ-ZFWWWQNUSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)C[N@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001492817870 977685151 /nfs/dbraw/zinc/68/51/51/977685151.db2.gz XESSTNVOYDJLHN-CYBMUJFWSA-N 2 0 255.406 1.032 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[NH+](CCF)C2 ZINC001393368411 977771613 /nfs/dbraw/zinc/77/16/13/977771613.db2.gz NAWOQBNEMGGTLN-IHRRRGAJSA-N 2 0 285.407 1.267 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001393525806 977819269 /nfs/dbraw/zinc/81/92/69/977819269.db2.gz SDKVVPJGPHIBNZ-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](F)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CCC1 ZINC001393547438 977831903 /nfs/dbraw/zinc/83/19/03/977831903.db2.gz OAZFUKIMDHCGAB-UONOGXRCSA-N 2 0 299.434 1.847 10 0 CDAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)N(C)Cc1ccns1 ZINC001394132596 978084136 /nfs/dbraw/zinc/08/41/36/978084136.db2.gz GPSYYNVAXNMXJG-LBPRGKRZSA-N 2 0 296.440 1.175 10 0 CDAERP C[C@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CCCC1 ZINC001394542276 978198228 /nfs/dbraw/zinc/19/82/28/978198228.db2.gz UCKSFEUDJGXBCQ-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]CC1CC1 ZINC001674722567 1173997870 /nfs/dbraw/zinc/99/78/70/1173997870.db2.gz OUFIKHWDHCHCPQ-NWDGAFQWSA-N 2 0 255.406 1.221 10 0 CDAERP CC/C=C\CC[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001675042778 1174065260 /nfs/dbraw/zinc/06/52/60/1174065260.db2.gz PBUFTFOEKSNMEM-YVACAVLKSA-N 2 0 281.444 1.875 10 0 CDAERP C[C@H](CCC[NH2+]CC1CCC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001675869334 1174159088 /nfs/dbraw/zinc/15/90/88/1174159088.db2.gz RGVHXFALLPVSNJ-UKRRQHHQSA-N 2 0 281.444 1.755 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCCF)C(C)(C)C ZINC001677271492 1174344006 /nfs/dbraw/zinc/34/40/06/1174344006.db2.gz GFGFZGOXWYXEFQ-OLZOCXBDSA-N 2 0 287.423 1.561 10 0 CDAERP CC(C)C[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001570354533 1170137961 /nfs/dbraw/zinc/13/79/61/1170137961.db2.gz NQZBPQDLEDTDLG-STQMWFEESA-N 2 0 255.406 1.031 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC=C(C)C ZINC001570648068 1170221615 /nfs/dbraw/zinc/22/16/15/1170221615.db2.gz SQRMKCXQFBBVAX-KBPBESRZSA-N 2 0 269.433 1.777 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]C/C=C/Cl)C2)C1 ZINC001571192756 1170344431 /nfs/dbraw/zinc/34/44/31/1170344431.db2.gz PQGXQCINPDZAFF-TVNDVJIGSA-N 2 0 285.819 1.175 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](C)N(C(=O)CC[N@H+](C)CC)C1 ZINC001571488722 1170451547 /nfs/dbraw/zinc/45/15/47/1170451547.db2.gz HCYBNRUYWWDRJD-KBPBESRZSA-N 2 0 269.433 1.707 10 0 CDAERP Cc1ccc(O)c(C[NH2+]Cc2ccc(C[NH3+])cc2F)n1 ZINC000650717600 398158614 /nfs/dbraw/zinc/15/86/14/398158614.db2.gz GWPJDDZOGUOPJQ-UHFFFAOYSA-N 2 0 275.327 1.983 10 0 CDAERP C[C@H]1CN(C)C[C@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000339496369 300226264 /nfs/dbraw/zinc/22/62/64/300226264.db2.gz BGBBJAXBMMALIO-LSDHHAIUSA-N 2 0 253.434 1.792 10 0 CDAERP COC(=O)c1coc([C@H](C)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)n1 ZINC000601326167 342553888 /nfs/dbraw/zinc/55/38/88/342553888.db2.gz REOJFYCPLQPMTG-PGUXBMHVSA-N 2 0 293.367 1.583 10 0 CDAERP CC(C)[N@H+](C)CC1CCN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000232624818 342031730 /nfs/dbraw/zinc/03/17/30/342031730.db2.gz MFVXRQQOHXOYLN-HOCLYGCPSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000092954937 342061722 /nfs/dbraw/zinc/06/17/22/342061722.db2.gz NZLDRIODHSUWSH-UKRRQHHQSA-N 2 0 279.428 1.319 10 0 CDAERP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000618983848 349570281 /nfs/dbraw/zinc/57/02/81/349570281.db2.gz QHHJEZZWRHZHCG-PMPSAXMXSA-N 2 0 295.471 1.953 10 0 CDAERP CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)CC1C[NH+](C)C1 ZINC000618191984 342137163 /nfs/dbraw/zinc/13/71/63/342137163.db2.gz ZYFFKCJGXGRTFT-LLVKDONJSA-N 2 0 255.406 1.173 10 0 CDAERP c1ccc(C[N@@H+]2CCOC[C@H]2C2CC[NH2+]CC2)cc1 ZINC000096949605 185139095 /nfs/dbraw/zinc/13/90/95/185139095.db2.gz JTUVGGKVSBIUFW-INIZCTEOSA-N 2 0 260.381 1.887 10 0 CDAERP C[NH2+]C1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000237076649 290637558 /nfs/dbraw/zinc/63/75/58/290637558.db2.gz XVOCNOYUQZWZCO-CYBMUJFWSA-N 2 0 267.417 1.461 10 0 CDAERP COC(=O)CCCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000600709252 342243416 /nfs/dbraw/zinc/24/34/16/342243416.db2.gz HJXIDBNNUBAJFM-BETUJISGSA-N 2 0 254.374 1.261 10 0 CDAERP Cc1nccn1CCCC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000368314148 362046483 /nfs/dbraw/zinc/04/64/83/362046483.db2.gz FWGNUICBXVLMBP-INIZCTEOSA-N 2 0 276.428 1.999 10 0 CDAERP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H]3CCCC[C@@]32C)CC1 ZINC000626105443 342344739 /nfs/dbraw/zinc/34/47/39/342344739.db2.gz GSIUJUTZLBSOMO-YOEHRIQHSA-N 2 0 293.455 1.851 10 0 CDAERP CCC[NH+]1CCC(Nc2nc(N)[nH+]c3c2CCCC3)CC1 ZINC000645101194 362115534 /nfs/dbraw/zinc/11/55/34/362115534.db2.gz ASSIDCCEFXBLNB-UHFFFAOYSA-N 2 0 289.427 1.476 10 0 CDAERP C(C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)OC1CCOCC1 ZINC000629516923 362132682 /nfs/dbraw/zinc/13/26/82/362132682.db2.gz UNPSTMKFVABTEV-ZBFHGGJFSA-N 2 0 282.428 1.646 10 0 CDAERP COC(=O)Cc1ccnc(N(C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000596127774 343237817 /nfs/dbraw/zinc/23/78/17/343237817.db2.gz ANMCZQMQVQLQOO-CQSZACIVSA-N 2 0 291.395 1.575 10 0 CDAERP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]CC2([NH3+])CCOCC2)C1 ZINC000629521045 362135991 /nfs/dbraw/zinc/13/59/91/362135991.db2.gz OAFAXKNXQLJIGV-ZIAGYGMSSA-N 2 0 292.427 1.544 10 0 CDAERP CC[C@@H]([NH2+]CCOCC[NH2+]C)c1cccc(OC)c1 ZINC000629529027 362155055 /nfs/dbraw/zinc/15/50/55/362155055.db2.gz PSVOORXMBQZWCV-OAHLLOKOSA-N 2 0 266.385 1.972 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNc2nc(N)[nH+]c3c2CCCC3)C1 ZINC000645136662 362148437 /nfs/dbraw/zinc/14/84/37/362148437.db2.gz DWPXQMDWUAJNND-GFCCVEGCSA-N 2 0 289.427 1.334 10 0 CDAERP COc1cc2[nH+]c3c(c(N)c2cc1OC)C[C@@H](C[NH3+])C3 ZINC000140488081 342447681 /nfs/dbraw/zinc/44/76/81/342447681.db2.gz BVXSYKNZKMYRQC-MRVPVSSYSA-N 2 0 273.336 1.508 10 0 CDAERP C[C@H](CO)[C@H](C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000166942609 136380373 /nfs/dbraw/zinc/38/03/73/136380373.db2.gz PMMQJYWCEBMWLK-OLZOCXBDSA-N 2 0 263.385 1.657 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)C[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000054308639 343800318 /nfs/dbraw/zinc/80/03/18/343800318.db2.gz BIHHPCBPKXRISB-GDBMZVCRSA-N 2 0 289.423 1.795 10 0 CDAERP C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000246574470 343963888 /nfs/dbraw/zinc/96/38/88/343963888.db2.gz VEIJLMMIXRLWBY-QLFBSQMISA-N 2 0 281.444 1.742 10 0 CDAERP C[C@H](CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000262674206 344696962 /nfs/dbraw/zinc/69/69/62/344696962.db2.gz QKPQXXKLXVUJEX-KLHDSHLOSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)[C@@H](CNC(=O)CC1([NH3+])CCCCC1)[NH+](C)C ZINC000084184158 178817900 /nfs/dbraw/zinc/81/79/00/178817900.db2.gz INAOGOOEECCRQE-CYBMUJFWSA-N 2 0 269.433 1.741 10 0 CDAERP O[C@@H]1C[NH2+]C[C@@H]1CNCc1c(Cl)oc2ccccc21 ZINC000263283876 362566587 /nfs/dbraw/zinc/56/65/87/362566587.db2.gz URTHVXGNZCJVKO-JOYOIKCWSA-N 2 0 280.755 1.756 10 0 CDAERP CO[C@H]1C[C@H](c2nc(C)no2)N(CCn2ccnc2)C1 ZINC000330347547 362567268 /nfs/dbraw/zinc/56/72/68/362567268.db2.gz HTHZXEYSHZRCEC-NWDGAFQWSA-N 2 0 277.328 1.037 10 0 CDAERP C[NH+](C)[C@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)C1CC1 ZINC000623363284 346090915 /nfs/dbraw/zinc/09/09/15/346090915.db2.gz LAMKZTLBNCNUGD-ZIAGYGMSSA-N 2 0 253.434 1.789 10 0 CDAERP [NH3+][C@H]1CCCC[C@@H]1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000085364026 179035402 /nfs/dbraw/zinc/03/54/02/179035402.db2.gz JBPRQVFGDQZSKE-KBPBESRZSA-N 2 0 265.401 1.247 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)[C@H]2CCC[C@H]2[NH3+])CC1 ZINC000085363911 179035496 /nfs/dbraw/zinc/03/54/96/179035496.db2.gz PMANLVYDVDINBP-QWHCGFSZSA-N 2 0 253.390 1.103 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1CCCCN1CCO)C1CCSCC1 ZINC000449396280 362692004 /nfs/dbraw/zinc/69/20/04/362692004.db2.gz LFSPWILBVADHDY-ZFWWWQNUSA-N 2 0 286.485 1.955 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCc3n[nH]cc3C2)CC1(C)C ZINC000623425998 346476035 /nfs/dbraw/zinc/47/60/35/346476035.db2.gz XPDWPGXIVMXXBU-CHWSQXEVSA-N 2 0 262.401 1.729 10 0 CDAERP C1CC1c1nc2c(n1[C@@H]1CC[N@@H+](C3CC3)C1)CC[NH2+]C2 ZINC000085573015 179098503 /nfs/dbraw/zinc/09/85/03/179098503.db2.gz LGNHJYUHSSGKDX-CYBMUJFWSA-N 2 0 272.396 1.815 10 0 CDAERP CCCCOC[C@@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000227893687 346533876 /nfs/dbraw/zinc/53/38/76/346533876.db2.gz NEIQWFORIJOODM-UYTSQGDYSA-N 2 0 284.444 1.769 10 0 CDAERP C[NH+]1CCC(CCNC(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000229943345 346545923 /nfs/dbraw/zinc/54/59/23/346545923.db2.gz PUOBQWLXRVUYRC-AWEZNQCLSA-N 2 0 267.417 1.224 10 0 CDAERP C[C@H](CO[C@H]1CCOC1)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623443528 346757560 /nfs/dbraw/zinc/75/75/60/346757560.db2.gz DCIQMQKITSRHRV-RDBSUJKOSA-N 2 0 270.417 1.643 10 0 CDAERP CCC[NH2+][C@@H](CCO)CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000085922999 179201410 /nfs/dbraw/zinc/20/14/10/179201410.db2.gz NGTIUJLXFSLWFY-HOTGVXAUSA-N 2 0 283.460 1.297 10 0 CDAERP C[NH+]1CCC(N2CC[NH2+][C@@H](Cc3ccccc3)C2)CC1 ZINC000086127490 179235501 /nfs/dbraw/zinc/23/55/01/179235501.db2.gz XZBBCFGTWVDELO-INIZCTEOSA-N 2 0 273.424 1.597 10 0 CDAERP CC(C)C[C@H]1CN([C@@H]2C[NH+]3CCC2CC3)[C@@H](C)C[NH2+]1 ZINC000086182643 179248205 /nfs/dbraw/zinc/24/82/05/179248205.db2.gz CSGJZJVJOJXRPE-CWRNSKLLSA-N 2 0 265.445 1.789 10 0 CDAERP C[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086223995 179252810 /nfs/dbraw/zinc/25/28/10/179252810.db2.gz HCDLHRRRKPVDAP-BFHYXJOUSA-N 2 0 253.434 1.789 10 0 CDAERP C[NH+](C)CCN(Cc1cccs1)C(=O)NC/C=C\C[NH3+] ZINC000641869746 365954595 /nfs/dbraw/zinc/95/45/95/365954595.db2.gz GDNYCCYIRCAXAK-ARJAWSKDSA-N 2 0 296.440 1.336 10 0 CDAERP CCN(CCC[NH+](CC)CC)C(=O)NC/C=C\C[NH3+] ZINC000641867028 365951289 /nfs/dbraw/zinc/95/12/89/365951289.db2.gz LZMFFFYGHFJHJK-FPLPWBNLSA-N 2 0 270.421 1.265 10 0 CDAERP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000614068320 347993334 /nfs/dbraw/zinc/99/33/34/347993334.db2.gz ZEQURRUORLAIDI-CZUORRHYSA-N 2 0 299.459 1.068 10 0 CDAERP C[N@@H+]1CC[C@H](NCC[NH+]2CCCC2)[C@H]2CCC[C@H]21 ZINC000353435575 290217785 /nfs/dbraw/zinc/21/77/85/290217785.db2.gz MKTYZWRDNXKFLP-QLFBSQMISA-N 2 0 251.418 1.545 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@@H]1CCN[C@H](c2ccccc2)C1 ZINC000629537133 362952918 /nfs/dbraw/zinc/95/29/18/362952918.db2.gz IEORWPFTPSSFAK-CVEARBPZSA-N 2 0 277.412 1.435 10 0 CDAERP CCC[C@@H]([NH2+]CCOCCC[NH3+])c1cccnc1 ZINC000629538778 362954951 /nfs/dbraw/zinc/95/49/51/362954951.db2.gz NXLCSLWCIFZJMV-CQSZACIVSA-N 2 0 251.374 1.878 10 0 CDAERP C(C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1)OC1CCOCC1 ZINC000629543406 362961891 /nfs/dbraw/zinc/96/18/91/362961891.db2.gz AOLMNMNVGRTPSJ-INIZCTEOSA-N 2 0 296.455 1.894 10 0 CDAERP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC(C)(C)C(=O)N1CCCC1 ZINC000629545095 362970622 /nfs/dbraw/zinc/97/06/22/362970622.db2.gz BFCDZJKSVDEWKF-VXGBXAGGSA-N 2 0 255.406 1.350 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000641943242 365996968 /nfs/dbraw/zinc/99/69/68/365996968.db2.gz MBQBWTCXOQAXBA-IHRRRGAJSA-N 2 0 282.432 1.382 10 0 CDAERP CCn1nccc1CC[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000621776180 350773137 /nfs/dbraw/zinc/77/31/37/350773137.db2.gz DUMQODWTKMNVFI-ZFWWWQNUSA-N 2 0 262.401 1.506 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)[C@@H](C)c1cccc(OC)c1 ZINC000629570223 363016816 /nfs/dbraw/zinc/01/68/16/363016816.db2.gz AHZBFYDTMNSEAH-ZDUSSCGKSA-N 2 0 266.385 1.924 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)CCOc1c(C)cccc1C ZINC000629569736 363020842 /nfs/dbraw/zinc/02/08/42/363020842.db2.gz FAISFYZFKPNKDZ-UHFFFAOYSA-N 2 0 280.412 1.850 10 0 CDAERP Cc1cncn1CC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000623785761 351277056 /nfs/dbraw/zinc/27/70/56/351277056.db2.gz IEHIYXDEBKKZLY-UHFFFAOYSA-N 2 0 292.427 1.962 10 0 CDAERP CO[C@H](C[N@H+](C)CCOCC[NH3+])C1CCCCC1 ZINC000629581350 363043323 /nfs/dbraw/zinc/04/33/23/363043323.db2.gz XHPIYZUNYBEAKM-CQSZACIVSA-N 2 0 258.406 1.489 10 0 CDAERP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000624312074 351542914 /nfs/dbraw/zinc/54/29/14/351542914.db2.gz ISJZZAAHGJPYRG-KHMAMNHCSA-N 2 0 252.402 1.874 10 0 CDAERP CCOC(=O)CC[C@H](O)C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000569804144 363091509 /nfs/dbraw/zinc/09/15/09/363091509.db2.gz JNVCTXWFNPLILT-AWEZNQCLSA-N 2 0 291.351 1.128 10 0 CDAERP CC[C@]1(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)CCC[NH2+]1 ZINC000122307185 187025950 /nfs/dbraw/zinc/02/59/50/187025950.db2.gz YGZKWLSIFYZQNJ-GZBFAFLISA-N 2 0 265.401 1.214 10 0 CDAERP C/C=C/C[C@@H]1CCC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000629595830 363095845 /nfs/dbraw/zinc/09/58/45/363095845.db2.gz YGFBKFPXSRFZRU-XYBNCVKDSA-N 2 0 251.418 1.570 10 0 CDAERP [NH2+]=C(NO)[C@H]1CCCCN1CCC[NH+]1CCCCC1 ZINC000364606523 303220310 /nfs/dbraw/zinc/22/03/10/303220310.db2.gz ZCBPELDQPVVTSW-CYBMUJFWSA-N 2 0 268.405 1.673 10 0 CDAERP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)C1 ZINC000629653406 363252950 /nfs/dbraw/zinc/25/29/50/363252950.db2.gz GMPXSDYSWUMOQQ-MJBXVCDLSA-N 2 0 297.468 1.154 10 0 CDAERP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCC(=O)NC2(C)C)C1 ZINC000644535673 366153727 /nfs/dbraw/zinc/15/37/27/366153727.db2.gz XVMCEZMWRLXXNH-OLZOCXBDSA-N 2 0 267.417 1.365 10 0 CDAERP Cc1ncc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)o1 ZINC000628283011 363384503 /nfs/dbraw/zinc/38/45/03/363384503.db2.gz BLFXPBRZMBLUBV-UHFFFAOYSA-N 2 0 268.405 1.298 10 0 CDAERP CC1CC[NH+](CCCNC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000416869374 535279871 /nfs/dbraw/zinc/27/98/71/535279871.db2.gz GZQMPWDMGGXXLS-GJZGRUSLSA-N 2 0 296.459 1.406 10 0 CDAERP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)c1 ZINC000037042960 356319941 /nfs/dbraw/zinc/31/99/41/356319941.db2.gz SXBICUQAEUGJKO-GJZGRUSLSA-N 2 0 291.395 1.190 10 0 CDAERP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1 ZINC001660401797 1172208078 /nfs/dbraw/zinc/20/80/78/1172208078.db2.gz DNSPZGYPBAMXGL-JZAWBGDQSA-N 2 0 278.440 1.832 10 0 CDAERP CC1(C)C[NH+](C2CCN(CC[NH3+])CC2)CC(C)(C)O1 ZINC000725273914 538463765 /nfs/dbraw/zinc/46/37/65/538463765.db2.gz UJJAEPFFQLULKW-UHFFFAOYSA-N 2 0 269.433 1.299 10 0 CDAERP C[N@H+](C[C@H](O)COCc1ccccc1)C[C@H]1CC[NH+](C)C1 ZINC000070380103 356891238 /nfs/dbraw/zinc/89/12/38/356891238.db2.gz UKQIRIGCXWYQAX-IRXDYDNUSA-N 2 0 292.423 1.448 10 0 CDAERP C[NH+](C)CCN(C(=O)[C@H]1CCC[C@@H]([NH3+])C1)C1CCCC1 ZINC000070576740 356900337 /nfs/dbraw/zinc/90/03/37/356900337.db2.gz ZXPXFQYJJUIQER-UONOGXRCSA-N 2 0 281.444 1.837 10 0 CDAERP CCC(C)(C)CC[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420349911 535351414 /nfs/dbraw/zinc/35/14/14/535351414.db2.gz QYIPICQJFZVXAN-AWEZNQCLSA-N 2 0 253.434 1.792 10 0 CDAERP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](COC)OC)C1 ZINC000659975838 412650931 /nfs/dbraw/zinc/65/09/31/412650931.db2.gz PJJQJJXQAAVYBG-UONOGXRCSA-N 2 0 258.406 1.312 10 0 CDAERP CCCn1cc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cn1 ZINC000227283279 357438660 /nfs/dbraw/zinc/43/86/60/357438660.db2.gz MMFXLZNEHHMADK-UHFFFAOYSA-N 2 0 293.459 1.409 10 0 CDAERP CCN(CCO)CC[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000186578322 357664717 /nfs/dbraw/zinc/66/47/17/357664717.db2.gz DSLMJTOSPGCMLM-UHFFFAOYSA-N 2 0 280.387 1.976 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000091543723 357717117 /nfs/dbraw/zinc/71/71/17/357717117.db2.gz IPXVVMNIZHGBTQ-QWHCGFSZSA-N 2 0 267.417 1.447 10 0 CDAERP CC1CC[NH+](CC(=O)N(C)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000336457800 363588645 /nfs/dbraw/zinc/58/86/45/363588645.db2.gz NHGLRSKWDFCBQU-HNNXBMFYSA-N 2 0 279.428 1.271 10 0 CDAERP COc1ccccc1OCC[NH2+]C1CCC([NH3+])CC1 ZINC000567642398 293828599 /nfs/dbraw/zinc/82/85/99/293828599.db2.gz VUBYCQDGALYZOC-UHFFFAOYSA-N 2 0 264.369 1.934 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@H]([NH3+])CC1CCCCC1)C2 ZINC000634742481 358190189 /nfs/dbraw/zinc/19/01/89/358190189.db2.gz MVWUPBPJZKEKET-OIISXLGYSA-N 2 0 293.455 1.742 10 0 CDAERP C[NH2+][C@H](CC(C)(C)C)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634744365 358192757 /nfs/dbraw/zinc/19/27/57/358192757.db2.gz WDRKGZQLUSUCHK-WQVCFCJDSA-N 2 0 281.444 1.469 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000341063340 366409798 /nfs/dbraw/zinc/40/97/98/366409798.db2.gz XJGBDCRMHWUVBK-HUUCEWRRSA-N 2 0 294.443 1.372 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CC2)CC[N@@H+]1C ZINC000426793812 358656533 /nfs/dbraw/zinc/65/65/33/358656533.db2.gz OYZGRKMRTFENLU-BPLDGKMQSA-N 2 0 279.428 1.554 10 0 CDAERP C[NH+](C)CC1CCN(C(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000054291789 358710591 /nfs/dbraw/zinc/71/05/91/358710591.db2.gz ZGLXJAPXLZMQAV-AWEZNQCLSA-N 2 0 267.417 1.176 10 0 CDAERP O=C(C[C@H]1CCC[NH2+]C1)NCC[NH+]1CCCCCC1 ZINC000054308627 358711921 /nfs/dbraw/zinc/71/19/21/358711921.db2.gz KZWUCHWHWNOLCA-CQSZACIVSA-N 2 0 267.417 1.368 10 0 CDAERP c1ccc([C@@H](CNC2=[NH+]CCCN2)[NH+]2CCCC2)cc1 ZINC000261875184 359074147 /nfs/dbraw/zinc/07/41/47/359074147.db2.gz PQUTYBCGBZKYKW-OAHLLOKOSA-N 2 0 272.396 1.762 10 0 CDAERP CN(Cc1noc(CN)n1)[C@H]1CCc2ccccc2C1 ZINC000261887849 359078721 /nfs/dbraw/zinc/07/87/21/359078721.db2.gz ZGDAXZBQYOUFCM-ZDUSSCGKSA-N 2 0 272.352 1.518 10 0 CDAERP C[C@@]1(c2nc(-c3ccc(C[NH3+])cc3)no2)CC[NH2+]C1 ZINC000261964640 359106162 /nfs/dbraw/zinc/10/61/62/359106162.db2.gz HQXVOWWBFZHVOR-CQSZACIVSA-N 2 0 258.325 1.446 10 0 CDAERP C[C@@H]1C[C@@H](NCCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000379644353 359635194 /nfs/dbraw/zinc/63/51/94/359635194.db2.gz CCNVCCKBKFVEPJ-ZBFHGGJFSA-N 2 0 261.413 1.978 10 0 CDAERP CC[C@H](C)[N@H+](C)CCN[C@@H](C)c1c[nH+]ccc1N ZINC000422911714 359669682 /nfs/dbraw/zinc/66/96/82/359669682.db2.gz ULRIJHIWSBYRJP-RYUDHWBXSA-N 2 0 250.390 1.875 10 0 CDAERP CC(C)c1noc(CCC[NH2+][C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000422932738 359683864 /nfs/dbraw/zinc/68/38/64/359683864.db2.gz GOQZXQWRMYAYDZ-NWDGAFQWSA-N 2 0 266.389 1.843 10 0 CDAERP CC(C)[C@H](O)C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422993717 359704516 /nfs/dbraw/zinc/70/45/16/359704516.db2.gz UASDOAPILQSCQN-BPLDGKMQSA-N 2 0 250.386 1.551 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2COCCO2)[C@@H](C)C1 ZINC000336714093 359760519 /nfs/dbraw/zinc/76/05/19/359760519.db2.gz QGFGLLMYMBGVMQ-MJBXVCDLSA-N 2 0 256.390 1.064 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(CC)CCC[NH+](C)C ZINC000348158606 359863953 /nfs/dbraw/zinc/86/39/53/359863953.db2.gz MUGSUKARUITYFC-AWEZNQCLSA-N 2 0 269.433 1.661 10 0 CDAERP C[NH2+]C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000237125632 283496996 /nfs/dbraw/zinc/49/69/96/283496996.db2.gz DLBKMHBUAIJJQA-UBHSHLNASA-N 2 0 265.401 1.118 10 0 CDAERP OC1(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)CCC1 ZINC000336826067 359895532 /nfs/dbraw/zinc/89/55/32/359895532.db2.gz GVGNJPRDGIOAMS-UHFFFAOYSA-N 2 0 282.428 1.478 10 0 CDAERP C[C@@H](C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)CS(C)(=O)=O ZINC000424288116 359991736 /nfs/dbraw/zinc/99/17/36/359991736.db2.gz KGJSICGSEXOZSQ-STQMWFEESA-N 2 0 288.457 1.131 10 0 CDAERP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2C[C@H]3C[C@H]3C2)CC[NH2+]CC1 ZINC000424384343 360033030 /nfs/dbraw/zinc/03/30/30/360033030.db2.gz VDCOHDWLGPMRBC-YIYPIFLZSA-N 2 0 280.412 1.696 10 0 CDAERP CC(C)[N@@H+]1CCCN(C(=O)[C@](C)([NH3+])c2ccccc2)CC1 ZINC000335519866 360302740 /nfs/dbraw/zinc/30/27/40/360302740.db2.gz AYAUCFRDESOHPJ-QGZVFWFLSA-N 2 0 289.423 1.803 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCC[NH+]1CCC1 ZINC000337706271 360359610 /nfs/dbraw/zinc/35/96/10/360359610.db2.gz XVFFHGYEDMSTBA-KBPBESRZSA-N 2 0 282.432 1.254 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000636200599 363734160 /nfs/dbraw/zinc/73/41/60/363734160.db2.gz GGHAHZZVIJTIBW-CABCVRRESA-N 2 0 293.455 1.851 10 0 CDAERP NC(=O)c1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000335269065 360617048 /nfs/dbraw/zinc/61/70/48/360617048.db2.gz IQYATNPTPAIFAJ-GASCZTMLSA-N 2 0 273.380 1.217 10 0 CDAERP C(N1CCC([NH+]2CCCCC2)CC1)C12CC(C1)C[NH2+]2 ZINC000634991699 360618312 /nfs/dbraw/zinc/61/83/12/360618312.db2.gz OONXTVGUMWNQNB-UHFFFAOYSA-N 2 0 263.429 1.689 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000626921694 360627703 /nfs/dbraw/zinc/62/77/03/360627703.db2.gz OITXJMJFNNPHAP-TZMCWYRMSA-N 2 0 282.432 1.299 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000626947085 360685712 /nfs/dbraw/zinc/68/57/12/360685712.db2.gz KUZNMJRVNTYYFV-DZGCQCFKSA-N 2 0 290.411 1.168 10 0 CDAERP C[C@H](CNC(=O)N[C@@H]1CC[NH2+][C@H]1C)[NH+]1CCC(C)CC1 ZINC000626952195 360696608 /nfs/dbraw/zinc/69/66/08/360696608.db2.gz CDRPAALVGKTFAL-HZSPNIEDSA-N 2 0 282.432 1.156 10 0 CDAERP C[NH2+]C[C@H]1CCCN(C(=O)NC[C@H]([NH3+])c2ccccc2)C1 ZINC000418406421 283588878 /nfs/dbraw/zinc/58/88/78/283588878.db2.gz CFICLCCLWPMBOC-HIFRSBDPSA-N 2 0 290.411 1.327 10 0 CDAERP C[N@@H+]1CC[C@H](NC[C@@H]2C[C@H](F)C[NH2+]2)[C@H]2CCC[C@H]21 ZINC000643538848 361224730 /nfs/dbraw/zinc/22/47/30/361224730.db2.gz XPIWIQCKPBAMNR-PDWCTOEPSA-N 2 0 255.381 1.149 10 0 CDAERP C[N@@H+]1CCCC12CC[NH+](CC1(O)CCOCC1)CC2 ZINC000374591873 370733848 /nfs/dbraw/zinc/73/38/48/370733848.db2.gz FLJJYYIYFXCJJI-UHFFFAOYSA-N 2 0 268.401 1.088 10 0 CDAERP C[N@H+](CC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)C1CCC1 ZINC000629959170 364260897 /nfs/dbraw/zinc/26/08/97/364260897.db2.gz NHJDAALTGJMOGU-INIZCTEOSA-N 2 0 293.455 1.948 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170836817 364384778 /nfs/dbraw/zinc/38/47/78/364384778.db2.gz GMBBNCQGWNVXDH-STQMWFEESA-N 2 0 270.421 1.062 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)CC ZINC000357241166 366855238 /nfs/dbraw/zinc/85/52/38/366855238.db2.gz MNJPGPSQQCAWMT-ZDUSSCGKSA-N 2 0 255.406 1.319 10 0 CDAERP CCc1nccn1[C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC000164345522 364806845 /nfs/dbraw/zinc/80/68/45/364806845.db2.gz ZWNVSWZUIPYKDD-KBPBESRZSA-N 2 0 292.427 1.949 10 0 CDAERP C[NH+]1CCN(CCC[NH2+][C@H]2CCCC23CC3)CC1 ZINC000580216990 364930283 /nfs/dbraw/zinc/93/02/83/364930283.db2.gz OXJXHRFTJNZVNA-AWEZNQCLSA-N 2 0 251.418 1.546 10 0 CDAERP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CCC[C@H](O)C3)CC[C@H]21 ZINC000381715419 482895981 /nfs/dbraw/zinc/89/59/81/482895981.db2.gz KDDZXIYTBWKOFK-LVQVYYBASA-N 2 0 266.429 1.954 10 0 CDAERP COCc1ccc(C[NH2+][C@@H]2CCc3nc[nH]c3C2)o1 ZINC000353240752 365083633 /nfs/dbraw/zinc/08/36/33/365083633.db2.gz JYGMFWVJNZDUKX-SNVBAGLBSA-N 2 0 261.325 1.796 10 0 CDAERP C[S@](=O)c1ccc(C[NH2+][C@H]2CCc3nc[nH]c3C2)cc1 ZINC000353243257 365084322 /nfs/dbraw/zinc/08/43/22/365084322.db2.gz QEHBGQYVDJDDEV-YUNKPMOVSA-N 2 0 289.404 1.794 10 0 CDAERP C[C@]([NH3+])(C(=O)N1CC2CCC1(C[NH3+])CC2)c1ccccc1 ZINC000516578347 366887167 /nfs/dbraw/zinc/88/71/67/366887167.db2.gz HAAXFKCTUKTIHO-BLDCVEFLSA-N 2 0 287.407 1.590 10 0 CDAERP CC[NH+](CC)[C@@H](C)CNC(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000249757975 365339937 /nfs/dbraw/zinc/33/99/37/365339937.db2.gz IWLFANAXEFQXJY-KBPBESRZSA-N 2 0 284.448 1.500 10 0 CDAERP C[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1C)[NH+]1CCCCCC1 ZINC000175709879 367105442 /nfs/dbraw/zinc/10/54/42/367105442.db2.gz JNJJFWJFWWFJEN-KGLIPLIRSA-N 2 0 267.417 1.461 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[NH2+]1 ZINC000626988166 367176559 /nfs/dbraw/zinc/17/65/59/367176559.db2.gz HLEKSAHRFVJASB-MLQJFRMTSA-N 2 0 294.443 1.441 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000626997052 367217843 /nfs/dbraw/zinc/21/78/43/367217843.db2.gz MSILXGAWJNPYFI-UZGDPCLZSA-N 2 0 280.416 1.051 10 0 CDAERP CC1=CC[N@H+](CCNC(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000358183561 367497213 /nfs/dbraw/zinc/49/72/13/367497213.db2.gz GHRORHPLFVOWPM-AWEZNQCLSA-N 2 0 282.432 1.278 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000416853643 242187009 /nfs/dbraw/zinc/18/70/09/242187009.db2.gz VJWQEMKUYCROLK-OLZOCXBDSA-N 2 0 284.448 1.676 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000627164641 367596719 /nfs/dbraw/zinc/59/67/19/367596719.db2.gz GGRDBXKOAYMEGY-XQLPTFJDSA-N 2 0 294.443 1.253 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[NH2+]1 ZINC000627206448 367700843 /nfs/dbraw/zinc/70/08/43/367700843.db2.gz FWIYHULWYKPUHN-NLXYCFSDSA-N 2 0 294.443 1.394 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C[NH2+]1 ZINC000627198820 367689540 /nfs/dbraw/zinc/68/95/40/367689540.db2.gz YDALIDNJCNCSFZ-HZSPNIEDSA-N 2 0 280.416 1.007 10 0 CDAERP CC1=CC[N@H+](CCNC(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000358668226 367858591 /nfs/dbraw/zinc/85/85/91/367858591.db2.gz QDYKQHQIRDBPKP-HNNXBMFYSA-N 2 0 294.443 1.374 10 0 CDAERP CC(C)CC[C@@H]([NH3+])C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000638071144 368023924 /nfs/dbraw/zinc/02/39/24/368023924.db2.gz FSXLPKYWPATBFL-ZIAGYGMSSA-N 2 0 271.449 1.842 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCC1([NH3+])CCCCCC1 ZINC000418282001 242890773 /nfs/dbraw/zinc/89/07/73/242890773.db2.gz GGHFUCSBWXWQCW-CHWSQXEVSA-N 2 0 282.432 1.335 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCCC[NH3+])C1 ZINC000418314231 242932056 /nfs/dbraw/zinc/93/20/56/242932056.db2.gz RWFQBGJXOXZIDR-HUUCEWRRSA-N 2 0 296.459 1.631 10 0 CDAERP Cc1nnc([C@H](C)N2CC[C@H](Oc3ccncc3)C2)o1 ZINC000131811302 368374354 /nfs/dbraw/zinc/37/43/54/368374354.db2.gz RPCDRRPSSXEKGZ-GWCFXTLKSA-N 2 0 274.324 1.987 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000418408533 243041102 /nfs/dbraw/zinc/04/11/02/243041102.db2.gz UOTYPIAZBCFFIC-HNNXBMFYSA-N 2 0 296.459 1.487 10 0 CDAERP CC(C)C[C@H](C[NH3+])NC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418447189 243089436 /nfs/dbraw/zinc/08/94/36/243089436.db2.gz INMQFESYTRSPKG-ZIAGYGMSSA-N 2 0 278.400 1.359 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)NC2(C)CC[NH2+]CC2)cc1 ZINC000418460937 243105907 /nfs/dbraw/zinc/10/59/07/243105907.db2.gz KVSARBRFLFKMBA-LBPRGKRZSA-N 2 0 290.411 1.648 10 0 CDAERP CC[C@@H]([NH3+])CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000418463690 243107979 /nfs/dbraw/zinc/10/79/79/243107979.db2.gz OXJGCWPRZBXLNW-GXFFZTMASA-N 2 0 264.373 1.243 10 0 CDAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000418555372 243210296 /nfs/dbraw/zinc/21/02/96/243210296.db2.gz DNDYUMWRXLMLPQ-DZGCQCFKSA-N 2 0 290.411 1.155 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000418585693 243241609 /nfs/dbraw/zinc/24/16/09/243241609.db2.gz DTIHZSRXTZWPSL-MELADBBJSA-N 2 0 282.432 1.110 10 0 CDAERP C[C@H](CCC[NH3+])NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000418712305 243364947 /nfs/dbraw/zinc/36/49/47/243364947.db2.gz VDAZUYAHWIGNOK-CQSZACIVSA-N 2 0 296.459 1.631 10 0 CDAERP C[C@@H](CCC[NH3+])NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000567268704 370938964 /nfs/dbraw/zinc/93/89/64/370938964.db2.gz NQTMRUILYDQBLB-STQMWFEESA-N 2 0 255.406 1.495 10 0 CDAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H](O)C2(C)C)CC1 ZINC000361403979 368801037 /nfs/dbraw/zinc/80/10/37/368801037.db2.gz QBQGECBFAVHEEE-HNNXBMFYSA-N 2 0 283.460 1.248 10 0 CDAERP CCN(CCC[NH+](CC)CC)C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638286163 369155438 /nfs/dbraw/zinc/15/54/38/369155438.db2.gz LMTXQHZHWDUEEV-AWEZNQCLSA-N 2 0 267.417 1.614 10 0 CDAERP Cc1cc2ccccc2nc1NCCOCCC[NH3+] ZINC000630537313 369190745 /nfs/dbraw/zinc/19/07/45/369190745.db2.gz LXZUKBNHODYAKF-UHFFFAOYSA-N 2 0 259.353 1.742 10 0 CDAERP C[C@@H]1CC[N@H+](CCOCCOc2ccccc2)C[C@@H]1C[NH3+] ZINC000420407673 244209082 /nfs/dbraw/zinc/20/90/82/244209082.db2.gz ONCRLMNYCMLRFU-CVEARBPZSA-N 2 0 292.423 1.999 10 0 CDAERP c1c(CC[NH+]2CCCCC2)nnn1C[C@H]1CCC[NH2+]1 ZINC000630605495 369386906 /nfs/dbraw/zinc/38/69/06/369386906.db2.gz JSEMUVPNYYLDQA-CYBMUJFWSA-N 2 0 263.389 1.059 10 0 CDAERP [NH3+][C@H](Cc1cn(C[C@H]2CCC[NH2+]2)nn1)c1ccccc1 ZINC000630605188 369373258 /nfs/dbraw/zinc/37/32/58/369373258.db2.gz GOSHRWMLYYEEPQ-UKRRQHHQSA-N 2 0 271.368 1.273 10 0 CDAERP COCCN1CCC[C@@H]1C[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000375803387 370978359 /nfs/dbraw/zinc/97/83/59/370978359.db2.gz BTSVHEWHWDZBIM-TZMCWYRMSA-N 2 0 278.400 1.488 10 0 CDAERP C[C@@H]1CC[C@H](NC2CC[NH+](C(C)(C)C)CC2)C[NH2+]1 ZINC000398976750 369550298 /nfs/dbraw/zinc/55/02/98/369550298.db2.gz ZFHADQOZPRAABF-OCCSQVGLSA-N 2 0 253.434 1.979 10 0 CDAERP O=C(CC[C@H]1CC[NH2+]C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000134526012 369567396 /nfs/dbraw/zinc/56/73/96/369567396.db2.gz RZHFTGNNYSQGKJ-HNNXBMFYSA-N 2 0 293.455 1.711 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000170835881 369701534 /nfs/dbraw/zinc/70/15/34/369701534.db2.gz OUAUWYNMAHODDY-OAHLLOKOSA-N 2 0 296.459 1.454 10 0 CDAERP C[C@@H]1C[C@H](C)[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000548096942 369750924 /nfs/dbraw/zinc/75/09/24/369750924.db2.gz XDFBMIQMZCCGIE-LZWOXQAQSA-N 2 0 289.423 1.888 10 0 CDAERP CCC[C@H](C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1)[NH+](C)C ZINC000135995716 369771387 /nfs/dbraw/zinc/77/13/87/369771387.db2.gz BJDNNPSRXPTXAN-SOUVJXGZSA-N 2 0 283.460 1.953 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)[C@@]2(C)CCCC[NH2+]2)CC1 ZINC000136206293 369809216 /nfs/dbraw/zinc/80/92/16/369809216.db2.gz HNYBSBAINRZQIR-MRXNPFEDSA-N 2 0 281.444 1.899 10 0 CDAERP C[C@]1(C(=O)N2CCN3CCCC[C@@H]3C2)CCCC[NH2+]1 ZINC000136206143 369809341 /nfs/dbraw/zinc/80/93/41/369809341.db2.gz LFWIWIBOZRBOOK-UKRRQHHQSA-N 2 0 265.401 1.215 10 0 CDAERP C[C@@H]([NH2+][C@@H](C)c1ccc(NC(N)=O)cc1)[C@H]1CC[NH2+]C1 ZINC000400494869 296150604 /nfs/dbraw/zinc/15/06/04/296150604.db2.gz HCHCQQMVDQXZJH-LOWVWBTDSA-N 2 0 276.384 1.826 10 0 CDAERP C[C@H](CC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000248038146 370102694 /nfs/dbraw/zinc/10/26/94/370102694.db2.gz SEVLHORCHPIKOE-WCVJEAGWSA-N 2 0 293.455 1.707 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]CC2(O)Cc3ccccc3C2)[C@H](C)C1 ZINC000370620793 370107459 /nfs/dbraw/zinc/10/74/59/370107459.db2.gz XSISVFSFXPEXRH-PBHICJAKSA-N 2 0 288.435 1.836 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2C[NH+](C)C)C1 ZINC000565179173 370373594 /nfs/dbraw/zinc/37/35/94/370373594.db2.gz DVLUZPGWSCMKEC-KGLIPLIRSA-N 2 0 267.417 1.271 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000414935919 370603085 /nfs/dbraw/zinc/60/30/85/370603085.db2.gz BCFAQGDPKIEISP-HIFRSBDPSA-N 2 0 274.412 1.769 10 0 CDAERP [NH3+]CC1CCC([NH2+][C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000422696441 245157115 /nfs/dbraw/zinc/15/71/15/245157115.db2.gz RRYNJEAMHYDMKH-XUJLQICISA-N 2 0 287.407 1.899 10 0 CDAERP C[N@H+](CCN[C@H]1CCC[C@H]1C[NH3+])C1CCCCC1 ZINC000422700429 245159063 /nfs/dbraw/zinc/15/90/63/245159063.db2.gz GZIHKPKVAUAQGV-ZFWWWQNUSA-N 2 0 253.434 1.968 10 0 CDAERP Cn1cc(CC[NH2+][C@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cn1 ZINC000375839294 370996187 /nfs/dbraw/zinc/99/61/87/370996187.db2.gz LYFLUSYOMBJRNH-KKUMJFAQSA-N 2 0 262.401 1.425 10 0 CDAERP C[NH+]1CC[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)[C@H]2CCC[C@H]21 ZINC000375848057 371001730 /nfs/dbraw/zinc/00/17/30/371001730.db2.gz CJOXXUPKQBDVAY-BZUAXINKSA-N 3 0 263.429 1.711 10 0 CDAERP CC[C@@H]1CCCCN1CC[NH2+][C@@H](CCC[NH3+])COC ZINC000422738611 245198773 /nfs/dbraw/zinc/19/87/73/245198773.db2.gz YZYHMDSEGAKULW-LSDHHAIUSA-N 2 0 271.449 1.594 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000422746923 245208090 /nfs/dbraw/zinc/20/80/90/245208090.db2.gz XNQPJQQNTAUKCL-HRCADAONSA-N 2 0 262.397 1.697 10 0 CDAERP C[C@H](N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1c[nH+]ccc1N ZINC000422859224 245343413 /nfs/dbraw/zinc/34/34/13/245343413.db2.gz HBXMUETVKNOFNG-SRVKXCTJSA-N 2 0 260.385 1.770 10 0 CDAERP C[C@H](NC(=O)CC[C@H]1CCCC[N@@H+]1C)[C@H]1CCC[NH2+]C1 ZINC000567834819 371165128 /nfs/dbraw/zinc/16/51/28/371165128.db2.gz GSFKDWHBCPDIDP-SOUVJXGZSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H](CNC(=O)NCCC1(C[NH3+])CC1)[NH+]1CCC(C)CC1 ZINC000652141689 412791231 /nfs/dbraw/zinc/79/12/31/412791231.db2.gz XHLSAHCUZAIKTN-CQSZACIVSA-N 2 0 296.459 1.535 10 0 CDAERP CSCC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000377512870 371559180 /nfs/dbraw/zinc/55/91/80/371559180.db2.gz PZVLBZNZYFILKI-UHFFFAOYSA-N 2 0 272.458 1.784 10 0 CDAERP [NH3+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000377535254 371568884 /nfs/dbraw/zinc/56/88/84/371568884.db2.gz DMNTWHCVKBSMAS-QCODTGAPSA-N 2 0 293.455 1.788 10 0 CDAERP CCC([NH3+])(CC)CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000638626667 371955682 /nfs/dbraw/zinc/95/56/82/371955682.db2.gz UYWQLRDGUPPBLQ-BETUJISGSA-N 2 0 282.432 1.145 10 0 CDAERP Cc1ccncc1N1CC[NH+](CC2CCOCC2)CC1 ZINC000340596931 372066854 /nfs/dbraw/zinc/06/68/54/372066854.db2.gz ORFYBLOIIFFVRB-UHFFFAOYSA-N 2 0 275.396 1.939 10 0 CDAERP C[NH+]1CCC(C[NH2+]Cc2ncc[nH]2)(N2CCCCC2)CC1 ZINC000174581636 372606441 /nfs/dbraw/zinc/60/64/41/372606441.db2.gz PJKZBHQXGGKAFF-UHFFFAOYSA-N 2 0 291.443 1.450 10 0 CDAERP CCOC(=O)C1([C@H](C)[NH2+]CCCCF)CC[NH2+]CC1 ZINC000423140261 245600150 /nfs/dbraw/zinc/60/01/50/245600150.db2.gz MDZNMSOXFUARQN-LBPRGKRZSA-N 2 0 274.380 1.647 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000333444305 205325345 /nfs/dbraw/zinc/32/53/45/205325345.db2.gz WNYIYTLQVDIDED-RBSFLKMASA-N 2 0 296.459 1.486 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000178815490 372984565 /nfs/dbraw/zinc/98/45/65/372984565.db2.gz VQSNVNJVBUMSEL-YIYPIFLZSA-N 2 0 267.417 1.445 10 0 CDAERP O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCC[NH2+]1 ZINC000035053940 373788014 /nfs/dbraw/zinc/78/80/14/373788014.db2.gz CTMRHLXADLBDGQ-OAHLLOKOSA-N 2 0 273.380 1.973 10 0 CDAERP CC[C@H]1CCCC[C@@H]1C[NH2+]CCN1CC[C@@H](O)C1 ZINC000628464781 374248476 /nfs/dbraw/zinc/24/84/76/374248476.db2.gz JEGKYUXNJYSGCV-RRFJBIMHSA-N 2 0 254.418 1.859 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)c1ccc(C[NH3+])cc1 ZINC000045663219 374348404 /nfs/dbraw/zinc/34/84/04/374348404.db2.gz MPGVSXTWSHYDFY-UHFFFAOYSA-N 2 0 263.385 1.559 10 0 CDAERP C[C@@H](CCCC[NH3+])NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000418694494 374479987 /nfs/dbraw/zinc/47/99/87/374479987.db2.gz KSBAWCDNURHYOK-RWMBFGLXSA-N 2 0 268.405 1.040 10 0 CDAERP CCN(CC)C(=O)C1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000262238561 284464901 /nfs/dbraw/zinc/46/49/01/284464901.db2.gz OWRXCIGJWQVICN-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@@H](C)c1nccn1C ZINC000659628210 541960381 /nfs/dbraw/zinc/96/03/81/541960381.db2.gz MXHSIEDIFBYSKD-NWDGAFQWSA-N 2 0 279.388 1.265 10 0 CDAERP CCC[NH+]1CCC([NH2+][C@H](CO)C[C@H](O)C(C)(C)C)CC1 ZINC000342806405 374593717 /nfs/dbraw/zinc/59/37/17/374593717.db2.gz QLVXFKRCQRPVHA-GJZGRUSLSA-N 2 0 286.460 1.608 10 0 CDAERP [NH3+][C@H]1CCC[C@@H](C(=O)N2CCC3(CC[NH2+]C3)CC2)C1 ZINC000334333283 374921193 /nfs/dbraw/zinc/92/11/93/374921193.db2.gz TWZGUTHMCKCYMA-OLZOCXBDSA-N 2 0 265.401 1.106 10 0 CDAERP C[NH+](C)CC=C=C[C@]1(O)CC[N@H+](C)[C@@H]2CCCC[C@H]21 ZINC000255998544 190000628 /nfs/dbraw/zinc/00/06/28/190000628.db2.gz RBCCPYSVVLUODL-CBKLJXGJSA-N 2 0 264.413 1.885 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000417288793 375746079 /nfs/dbraw/zinc/74/60/79/375746079.db2.gz RYGJSGVFPJWNNA-UONOGXRCSA-N 2 0 282.432 1.287 10 0 CDAERP C[C@H]1C[N@H+](C)C[C@H]1NC1CC([NH+]2CCCCC2)C1 ZINC000334614882 376554003 /nfs/dbraw/zinc/55/40/03/376554003.db2.gz WKQNTDGUEYYZTK-VXGQWTEUSA-N 2 0 251.418 1.543 10 0 CDAERP c1nc2n(n1)[C@H](C[N@@H+]1CCC[C@@H]([C@H]3CCC[NH2+]3)C1)CC2 ZINC000631823219 376647462 /nfs/dbraw/zinc/64/74/62/376647462.db2.gz ZARCTPVGXKTQDP-HZSPNIEDSA-N 2 0 275.400 1.229 10 0 CDAERP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc2oc(=O)n(C)c2c1 ZINC000631823229 376647479 /nfs/dbraw/zinc/64/74/79/376647479.db2.gz ZHECYPSKCJSZHZ-CMPLNLGQSA-N 2 0 275.352 1.301 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000251680025 483074657 /nfs/dbraw/zinc/07/46/57/483074657.db2.gz HTXVBXLADOCCJJ-RQJABVFESA-N 2 0 265.401 1.057 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1C[NH+](C(C)C)C[C@H]1C ZINC000246484537 376882877 /nfs/dbraw/zinc/88/28/77/376882877.db2.gz QVOUQUBXKWAWAD-KFWWJZLASA-N 2 0 296.459 1.499 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CCC3(CCC[NH+]3C)CC2)CC[N@@H+]1C ZINC000632279350 377230637 /nfs/dbraw/zinc/23/06/37/377230637.db2.gz SEWRALMZOKKXTP-LSDHHAIUSA-N 2 0 293.455 1.804 10 0 CDAERP c1cc([C@H]2[NH2+]CCc3nc[nH]c32)n(-c2cc[nH+]cc2)c1 ZINC000067771462 377238553 /nfs/dbraw/zinc/23/85/53/377238553.db2.gz VJRWXBFVAKNAJZ-OAHLLOKOSA-N 2 0 265.320 1.831 10 0 CDAERP C[C@H](CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)[N@H+](C)C1CC1 ZINC000417550783 377975207 /nfs/dbraw/zinc/97/52/07/377975207.db2.gz MGKFUZVSJZAANQ-CZUORRHYSA-N 2 0 294.443 1.254 10 0 CDAERP C[NH+](C)CCC[C@H]1C[N@H+](CC[C@H]2CCCCO2)CCO1 ZINC000662324527 412892682 /nfs/dbraw/zinc/89/26/82/412892682.db2.gz XOAFKERURCTFLP-CVEARBPZSA-N 2 0 284.444 1.988 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000417790474 378816481 /nfs/dbraw/zinc/81/64/81/378816481.db2.gz HTHNXTVNCSJHQA-KGLIPLIRSA-N 2 0 281.444 1.788 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655912554 412915727 /nfs/dbraw/zinc/91/57/27/412915727.db2.gz VWKHEMVJRWUQOP-VHSXEESVSA-N 2 0 296.337 1.050 10 0 CDAERP CC(C)C[C@H]([NH3+])c1noc([C@@H](F)[C@H]2CC[NH2+]C2)n1 ZINC000634555884 379667187 /nfs/dbraw/zinc/66/71/87/379667187.db2.gz XWOWPUAFJIDYBD-GUBZILKMSA-N 2 0 256.325 1.736 10 0 CDAERP C[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657598111 412927643 /nfs/dbraw/zinc/92/76/43/412927643.db2.gz YIHGIVKGWYCBBG-XKQJLSEDSA-N 2 0 290.407 1.520 10 0 CDAERP CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001662679744 1172579216 /nfs/dbraw/zinc/57/92/16/1172579216.db2.gz AMMOZXCDBSDRHO-UONOGXRCSA-N 2 0 269.433 1.421 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261697677 296312183 /nfs/dbraw/zinc/31/21/83/296312183.db2.gz IDSXNHDIXNEDGV-MGPQQGTHSA-N 2 0 267.417 1.352 10 0 CDAERP CCCCC[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001662680360 1172579872 /nfs/dbraw/zinc/57/98/72/1172579872.db2.gz MWBSFQQGXFAYOH-AWEZNQCLSA-N 2 0 269.433 1.566 10 0 CDAERP CCOCC[N@H+](CC)CCCC[C@@](C)(CO)[NH2+]C ZINC000085211536 184605876 /nfs/dbraw/zinc/60/58/76/184605876.db2.gz BLEOZNMEILEUKZ-AWEZNQCLSA-N 2 0 260.422 1.486 10 0 CDAERP Cc1nc(F)ccc1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000289414686 197335860 /nfs/dbraw/zinc/33/58/60/197335860.db2.gz IIBMTECDTCGEQY-UHFFFAOYSA-N 2 0 294.418 1.598 10 0 CDAERP O[C@H](C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C(F)F ZINC000423099901 285357570 /nfs/dbraw/zinc/35/75/70/285357570.db2.gz UQIKKUGIURFBJE-ZOWXZIJZSA-N 2 0 298.333 1.458 10 0 CDAERP CC(C)[C@H](C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21)[NH+]1CCCCC1 ZINC000646925965 390294850 /nfs/dbraw/zinc/29/48/50/390294850.db2.gz XPYWZRCPUWGICZ-ARFHVFGLSA-N 2 0 293.455 1.659 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCC(C)([NH3+])CC1 ZINC000646993724 390340668 /nfs/dbraw/zinc/34/06/68/390340668.db2.gz GJUVNIWEFRNTCP-ZDUSSCGKSA-N 2 0 267.417 1.591 10 0 CDAERP OCCC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000358306253 390553043 /nfs/dbraw/zinc/55/30/43/390553043.db2.gz UEQUFQTYMUMHST-KBPBESRZSA-N 2 0 252.402 1.756 10 0 CDAERP [NH3+]Cc1ccc(-c2noc(CC3([NH3+])CCC3)n2)cc1 ZINC000647158409 390600083 /nfs/dbraw/zinc/60/00/83/390600083.db2.gz FGXOJHZCDSAAEG-UHFFFAOYSA-N 2 0 258.325 1.619 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C)C[NH2+]C)[C@H](C)C1 ZINC000418370419 285387543 /nfs/dbraw/zinc/38/75/43/285387543.db2.gz WBOYOIGSERCXJK-MJBXVCDLSA-N 2 0 284.448 1.214 10 0 CDAERP C[C@@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1)[C@@H]1CC[NH2+]C1 ZINC000400500963 390797666 /nfs/dbraw/zinc/79/76/66/390797666.db2.gz IMDSCWNWZQIHLE-HOSYDEDBSA-N 2 0 274.368 1.917 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)C1([NH3+])CCCCC1 ZINC000237508785 390845595 /nfs/dbraw/zinc/84/55/95/390845595.db2.gz GRZNXNFEHGIMFX-ZDUSSCGKSA-N 2 0 267.417 1.639 10 0 CDAERP O=C(CC[C@H]1CC[NH2+]C1)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000648210417 390953034 /nfs/dbraw/zinc/95/30/34/390953034.db2.gz RGYWPJHTURXBAJ-QWHCGFSZSA-N 2 0 265.401 1.167 10 0 CDAERP O=C(N[C@H]1CC[NH2+]C12CCCC2)c1ccc2c[nH+]cn2c1 ZINC000648211646 390953772 /nfs/dbraw/zinc/95/37/72/390953772.db2.gz XEXKIWORFWKCRA-AWEZNQCLSA-N 2 0 284.363 1.739 10 0 CDAERP COC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)C(C)C ZINC000151320280 390918634 /nfs/dbraw/zinc/91/86/34/390918634.db2.gz VCZLZHDEOOHZDB-KBPBESRZSA-N 2 0 258.406 1.094 10 0 CDAERP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC2(F)CC2)C1 ZINC000527511003 391027065 /nfs/dbraw/zinc/02/70/65/391027065.db2.gz IQHHTDOEDJUZPU-ZDUSSCGKSA-N 2 0 258.381 1.921 10 0 CDAERP CC(C)NC(=O)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000367602007 390995975 /nfs/dbraw/zinc/99/59/75/390995975.db2.gz QYMKKMJXDKUGNY-BFHYXJOUSA-N 2 0 267.417 1.364 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H](NC[C@@H](Cc2ccc(F)cc2)C(N)=O)C1 ZINC000647551545 390996278 /nfs/dbraw/zinc/99/62/78/390996278.db2.gz UTLVYYVIAFZWCB-NJZAAPMLSA-N 2 0 293.386 1.057 10 0 CDAERP C[C@@H](O)C[NH+]1CCC(CN(C)Cc2cocn2)CC1 ZINC000191941531 391030979 /nfs/dbraw/zinc/03/09/79/391030979.db2.gz DUNYYEHRMGMJDJ-GFCCVEGCSA-N 2 0 267.373 1.199 10 0 CDAERP CC[C@@]1(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)CC[NH2+]C1 ZINC000062891507 391103644 /nfs/dbraw/zinc/10/36/44/391103644.db2.gz YFBGAZWJADMYIY-DZGCQCFKSA-N 2 0 269.433 1.469 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@@H]2CCC[NH2+]2)cc1 ZINC000418361061 391407700 /nfs/dbraw/zinc/40/77/00/391407700.db2.gz GPZYMHFZXMQZLW-FZMZJTMJSA-N 2 0 276.384 1.258 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000417255726 391346249 /nfs/dbraw/zinc/34/62/49/391346249.db2.gz QHLKLOHOEYWPGJ-NDKCEZKHSA-N 2 0 284.448 1.388 10 0 CDAERP C(C[C@@H]1CCC[NH2+]C1)[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000414832643 391393174 /nfs/dbraw/zinc/39/31/74/391393174.db2.gz FJGAPVWSPJGXGU-JJXSEGSLSA-N 3 0 265.445 1.886 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000335422909 391435146 /nfs/dbraw/zinc/43/51/46/391435146.db2.gz IOAXDZHEYJGWGD-NVXWUHKLSA-N 2 0 293.455 1.853 10 0 CDAERP CS[C@@H]1CC[C@H]1[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000425341038 391465893 /nfs/dbraw/zinc/46/58/93/391465893.db2.gz FMSHLOJLWRYOQS-CHWSQXEVSA-N 2 0 272.458 1.705 10 0 CDAERP CCCC1CCC(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)CC1 ZINC000263194523 391472766 /nfs/dbraw/zinc/47/27/66/391472766.db2.gz IFVMKNCRTCOQBZ-PFSRBDOWSA-N 2 0 254.418 1.763 10 0 CDAERP C[C@@H]1CN(C)C[C@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000357354074 391511389 /nfs/dbraw/zinc/51/13/89/391511389.db2.gz MHNQCBLZHHTESE-RHSMWYFYSA-N 2 0 288.439 1.838 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCC[NH2+]C1CCCCCC1 ZINC000418447458 391512421 /nfs/dbraw/zinc/51/24/21/391512421.db2.gz PPZHCEQKAKWOFD-HIFRSBDPSA-N 2 0 296.459 1.596 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000418714468 391532695 /nfs/dbraw/zinc/53/26/95/391532695.db2.gz YPLAHRCGNGUORV-KGLIPLIRSA-N 2 0 296.459 1.630 10 0 CDAERP CN(C)C(=O)[C@H](c1ccccc1)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193656260 391672936 /nfs/dbraw/zinc/67/29/36/391672936.db2.gz PSLMPTDYZYHFPT-XHSDSOJGSA-N 2 0 287.407 1.309 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000417587583 391684755 /nfs/dbraw/zinc/68/47/55/391684755.db2.gz NXRRDNQSHAMCEJ-IHRRRGAJSA-N 2 0 292.427 1.542 10 0 CDAERP C[C@H](CCC(F)(F)F)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415045237 391736357 /nfs/dbraw/zinc/73/63/57/391736357.db2.gz TWAYXGNKOLUAOK-NXEZZACHSA-N 2 0 254.296 1.686 10 0 CDAERP CCC[C@H](C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)[NH+](C)C ZINC000179265202 391774767 /nfs/dbraw/zinc/77/47/67/391774767.db2.gz BEIMRHKIWOTAJD-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418197842 391797815 /nfs/dbraw/zinc/79/78/15/391797815.db2.gz KANMKMJYXWNAAQ-DZGCQCFKSA-N 2 0 292.427 1.714 10 0 CDAERP CC[C@@H]1CCCCN1C(=O)CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000334980348 391991533 /nfs/dbraw/zinc/99/15/33/391991533.db2.gz OCTGZVAKZPZWIG-NVXWUHKLSA-N 2 0 293.455 1.853 10 0 CDAERP CC[C@]1(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CCC[NH2+]1 ZINC000649319352 392011400 /nfs/dbraw/zinc/01/14/00/392011400.db2.gz YYNDZHXYHAXGIN-OAHLLOKOSA-N 2 0 285.351 1.738 10 0 CDAERP C[NH+]1CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)CC1(C)C ZINC000646075702 391980859 /nfs/dbraw/zinc/98/08/59/391980859.db2.gz WJEAKANNPYWMFR-AWEZNQCLSA-N 2 0 281.444 1.804 10 0 CDAERP CCC[N@H+](C)CC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000261736203 392020800 /nfs/dbraw/zinc/02/08/00/392020800.db2.gz NGYVLNLUNBAHKJ-UHFFFAOYSA-N 2 0 277.412 1.358 10 0 CDAERP C[C@H]1CCN(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1 ZINC000336913550 392125800 /nfs/dbraw/zinc/12/58/00/392125800.db2.gz ZXKCDUUZMNBVIW-HNNXBMFYSA-N 2 0 298.475 1.654 10 0 CDAERP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)[C@@H](C)OC)CC[NH2+]CC1 ZINC000423075456 392321678 /nfs/dbraw/zinc/32/16/78/392321678.db2.gz WVCNROWXHRMPTN-XQQFMLRXSA-N 2 0 286.416 1.321 10 0 CDAERP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1(CCO)CC1 ZINC000423065285 392312321 /nfs/dbraw/zinc/31/23/21/392312321.db2.gz TVJIMFZROLWPSJ-HIFRSBDPSA-N 2 0 262.397 1.697 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000423070614 392314672 /nfs/dbraw/zinc/31/46/72/392314672.db2.gz GKWMEMGYUGNNQC-AWEZNQCLSA-N 2 0 271.449 1.452 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC[N@@H+]1C ZINC000252109492 392247141 /nfs/dbraw/zinc/24/71/41/392247141.db2.gz JJACELQMCQGMOM-ZSAUSMIDSA-N 2 0 279.428 1.506 10 0 CDAERP CC1=CCN(CC[NH2+][C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000423031378 392287285 /nfs/dbraw/zinc/28/72/85/392287285.db2.gz CZFRYIYRONCQHP-CABCVRRESA-N 2 0 251.418 1.888 10 0 CDAERP COC[C@](C)(O)CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423145190 285474319 /nfs/dbraw/zinc/47/43/19/285474319.db2.gz JMZUGNVKBKBOAH-KBUPBQIOSA-N 2 0 270.417 1.284 10 0 CDAERP COc1ccc(F)cc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000423058553 392306349 /nfs/dbraw/zinc/30/63/49/392306349.db2.gz CNCWTTLJSVOAPW-DDTOSNHZSA-N 2 0 282.359 1.676 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000423097018 392341322 /nfs/dbraw/zinc/34/13/22/392341322.db2.gz AARBERYHEOALKO-AWEZNQCLSA-N 2 0 276.384 1.449 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000423103645 392346223 /nfs/dbraw/zinc/34/62/23/392346223.db2.gz XSGUFIGIACBMCX-MQYQWHSLSA-N 2 0 268.401 1.825 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1Cc2ccccc2[C@@H]1OC ZINC000423170451 392411176 /nfs/dbraw/zinc/41/11/76/392411176.db2.gz MATPXLDLMSIFIL-IMJJTQAJSA-N 2 0 278.396 1.642 10 0 CDAERP [NH3+]C[C@H]1CCCC[C@@H]1NCCC[NH2+]Cc1cccnc1 ZINC000423187871 392427228 /nfs/dbraw/zinc/42/72/28/392427228.db2.gz NEOLWWHZSOQYTE-CVEARBPZSA-N 3 0 276.428 1.668 10 0 CDAERP C[C@H](C[C@@H]1COCC[NH2+]1)NC[C@H]([NH3+])c1ccccc1 ZINC000423247921 392468793 /nfs/dbraw/zinc/46/87/93/392468793.db2.gz MELUALVMGBGBKN-YUELXQCFSA-N 2 0 263.385 1.043 10 0 CDAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000645889440 392473960 /nfs/dbraw/zinc/47/39/60/392473960.db2.gz JDLADWBGISTDKN-CQSZACIVSA-N 2 0 297.362 1.596 10 0 CDAERP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](C)C[C@@H]2COCCN2)cc1 ZINC000423292917 392491054 /nfs/dbraw/zinc/49/10/54/392491054.db2.gz OYJJOXIYTLHETH-XJKCOSOUSA-N 2 0 277.412 1.563 10 0 CDAERP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C)[C@@H]1C ZINC000423403778 392554263 /nfs/dbraw/zinc/55/42/63/392554263.db2.gz SGEFHUTYVDCGHL-VJTDZRGJSA-N 2 0 268.401 1.552 10 0 CDAERP C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000517239196 392862986 /nfs/dbraw/zinc/86/29/86/392862986.db2.gz MOVRMGVDTCNAEF-BARDWOONSA-N 2 0 279.428 1.365 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000226079203 393174936 /nfs/dbraw/zinc/17/49/36/393174936.db2.gz JVJAFXMUBVGHBC-DZGCQCFKSA-N 2 0 273.380 1.084 10 0 CDAERP CC1(C)NC(=O)CC[C@H]1[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000494883268 393121394 /nfs/dbraw/zinc/12/13/94/393121394.db2.gz OTFGUWUDCGRRSP-DGCLKSJQSA-N 2 0 265.401 1.118 10 0 CDAERP CC(C)n1cncc1C[NH2+]CCOCC[NH+](C)C ZINC000232769061 140224018 /nfs/dbraw/zinc/22/40/18/140224018.db2.gz IEAMFHSYVGWKFZ-UHFFFAOYSA-N 2 0 254.378 1.132 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1cccc(OC)c1 ZINC000234795191 140232035 /nfs/dbraw/zinc/23/20/35/140232035.db2.gz YEIGNZISQAWGLA-ZDUSSCGKSA-N 2 0 252.358 1.539 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H]1C[NH+](C(C)C)C[C@H]1C ZINC000247003750 140285950 /nfs/dbraw/zinc/28/59/50/140285950.db2.gz GXAXXXFGZFDADC-QLFBSQMISA-N 2 0 298.475 1.745 10 0 CDAERP Cc1[nH]nc2ncc(CN3CC[C@@H]([NH3+])C(C)(C)C3)cc12 ZINC000261609248 140362635 /nfs/dbraw/zinc/36/26/35/140362635.db2.gz BSXSWSNDHVIDPB-CYBMUJFWSA-N 2 0 273.384 1.826 10 0 CDAERP C[NH+](C)CCc1ccc(NC(=O)C2([NH3+])CCOCC2)cc1 ZINC000261698331 140376559 /nfs/dbraw/zinc/37/65/59/140376559.db2.gz DOQSFQKAMDHOIX-UHFFFAOYSA-N 2 0 291.395 1.237 10 0 CDAERP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000261833674 140396240 /nfs/dbraw/zinc/39/62/40/140396240.db2.gz JGIWXAGUCNYYKA-PWSUYJOCSA-N 2 0 291.420 1.769 10 0 CDAERP C[C@@]1(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)CC[NH2+]C1 ZINC000261895956 140405683 /nfs/dbraw/zinc/40/56/83/140405683.db2.gz UWKJJGYMFPZJCN-QGZVFWFLSA-N 3 0 295.471 1.563 10 0 CDAERP [NH3+][C@H]1CCC[C@H](Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000656197756 413094602 /nfs/dbraw/zinc/09/46/02/413094602.db2.gz INWLPYJCFRJEAD-RYUDHWBXSA-N 2 0 257.341 1.949 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656200654 413098919 /nfs/dbraw/zinc/09/89/19/413098919.db2.gz TWJPCJBJGNIYPH-IFTGGNMHSA-N 2 0 295.471 1.462 10 0 CDAERP C[N@@H+]1CCN(CC[NH2+][C@@H]2COC3(CCC3)C2)CC1(C)C ZINC000658002391 413127810 /nfs/dbraw/zinc/12/78/10/413127810.db2.gz NIRBIELHEPXMGX-AWEZNQCLSA-N 2 0 281.444 1.314 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)N[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000664215998 413150434 /nfs/dbraw/zinc/15/04/34/413150434.db2.gz FAFDCSHJARPYKW-KBPBESRZSA-N 2 0 298.475 1.889 10 0 CDAERP [NH3+]CC1(CCNC(=O)c2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000662581585 413147976 /nfs/dbraw/zinc/14/79/76/413147976.db2.gz HQXLRKMVWNPVNV-UHFFFAOYSA-N 2 0 292.383 1.000 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C[C@H](C)O)C1CC1 ZINC000656278830 413160558 /nfs/dbraw/zinc/16/05/58/413160558.db2.gz JZVXTPOQALHWKH-LBPRGKRZSA-N 2 0 286.379 1.921 10 0 CDAERP C[C@@H]1CCCC[C@H]1NC(=O)CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420377641 397702099 /nfs/dbraw/zinc/70/20/99/397702099.db2.gz PXXRSWPPCQCYBX-BFYDXBDKSA-N 2 0 293.455 1.757 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000175777050 148008203 /nfs/dbraw/zinc/00/82/03/148008203.db2.gz FSLKUXBFIKYKSS-OAHLLOKOSA-N 2 0 296.459 1.598 10 0 CDAERP COC[C@H](C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)OC ZINC000660541196 413217124 /nfs/dbraw/zinc/21/71/24/413217124.db2.gz IOGRPZOSVVIYRR-PIGZVRMJSA-N 2 0 256.390 1.205 10 0 CDAERP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1csc2ccccc12 ZINC000262090855 149014476 /nfs/dbraw/zinc/01/44/76/149014476.db2.gz GVIZGBHOEKCGOS-GWCFXTLKSA-N 2 0 262.378 1.571 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000335045149 150222445 /nfs/dbraw/zinc/22/24/45/150222445.db2.gz KYYZQPPZZMKDEE-ZWNOBZJWSA-N 2 0 258.325 1.062 10 0 CDAERP NC(=O)c1csc(CN2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000336106653 151273613 /nfs/dbraw/zinc/27/36/13/151273613.db2.gz YXRZPKVPFUKKTL-JOYOIKCWSA-N 2 0 265.382 1.815 10 0 CDAERP C[C@@H]1C[C@@H](C[NH+]2CCC([N@H+](C)CCCO)CC2)CCO1 ZINC000352618999 155307529 /nfs/dbraw/zinc/30/75/29/155307529.db2.gz XJOQXKKQPNMJTO-CABCVRRESA-N 2 0 284.444 1.580 10 0 CDAERP C[C@H]([NH2+]CCO[C@@H]1CC1(F)F)C1CC[NH+](C)CC1 ZINC000658171052 413263933 /nfs/dbraw/zinc/26/39/33/413263933.db2.gz WJPFNGIGSLTUEC-CMPLNLGQSA-N 2 0 262.344 1.731 10 0 CDAERP C[NH+](C)CCc1cn([C@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000656455680 413277896 /nfs/dbraw/zinc/27/78/96/413277896.db2.gz MVELBFLIKPAZPG-KRWDZBQOSA-N 2 0 299.422 1.829 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N(C)[C@@H]1CC[NH+](C2CC2)C1 ZINC000350071246 154319381 /nfs/dbraw/zinc/31/93/81/154319381.db2.gz FZUFFUHLBAIDAY-DZGCQCFKSA-N 2 0 296.459 1.595 10 0 CDAERP [NH3+][C@@H](CC(F)F)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000662685692 413310696 /nfs/dbraw/zinc/31/06/96/413310696.db2.gz GMKWMNXKZYGUIK-RYUDHWBXSA-N 2 0 299.321 1.269 10 0 CDAERP Cc1cncc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)n1 ZINC000658260534 413319522 /nfs/dbraw/zinc/31/95/22/413319522.db2.gz AJEUWZADPFIHFA-ARFHVFGLSA-N 2 0 274.412 1.790 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CCOC2)[C@H]2CCC[C@@H]21 ZINC000353693102 156017364 /nfs/dbraw/zinc/01/73/64/156017364.db2.gz WUHCODIJACNZNJ-KBXIAJHMSA-N 2 0 252.402 1.875 10 0 CDAERP CCC[NH+]1CCC([NH2+]CCc2cc(C)no2)CC1 ZINC000353982729 156201983 /nfs/dbraw/zinc/20/19/83/156201983.db2.gz WWFCCDURLLIADZ-UHFFFAOYSA-N 2 0 251.374 1.990 10 0 CDAERP CCO[C@H]1C[C@H]([NH2+]C2CCC([NH3+])CC2)C12CCOCC2 ZINC000333857889 286537396 /nfs/dbraw/zinc/53/73/96/286537396.db2.gz RJBWYTIKIMEKGP-WUCCLRPBSA-N 2 0 282.428 1.820 10 0 CDAERP CCC[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C)[C@@H]3CCC[C@H]32)C1 ZINC000658285742 413334142 /nfs/dbraw/zinc/33/41/42/413334142.db2.gz NMBZDSLLVBLFRL-CAOSSQGBSA-N 2 0 265.445 1.933 10 0 CDAERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000359594896 158303146 /nfs/dbraw/zinc/30/31/46/158303146.db2.gz FHBSZBXXONNWOK-VXGBXAGGSA-N 2 0 298.349 1.342 10 0 CDAERP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC000660697697 413382676 /nfs/dbraw/zinc/38/26/76/413382676.db2.gz ISEALSYPKVUHKG-JKSUJKDBSA-N 2 0 298.471 1.874 10 0 CDAERP CC[N@@H+]1CCC[C@@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC000362661796 159206038 /nfs/dbraw/zinc/20/60/38/159206038.db2.gz GGCLVUXMSYNWLF-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP C[NH+](C)[C@]1(CNC(=O)CC2CC[NH+](C)CC2)CCSC1 ZINC000362877208 159259082 /nfs/dbraw/zinc/25/90/82/159259082.db2.gz SBZGURQVPJELMG-HNNXBMFYSA-N 2 0 299.484 1.272 10 0 CDAERP CC[C@H](C[NH+]1CCCC1)NC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662734984 413404867 /nfs/dbraw/zinc/40/48/67/413404867.db2.gz UTCIJBRSEJBHDE-LLVKDONJSA-N 2 0 294.399 1.473 10 0 CDAERP C[C@@H](C(=O)N1CC[NH+]2CCC1CC2)[NH+]1[C@H](C)CC[C@H]1C ZINC000373728038 160223990 /nfs/dbraw/zinc/22/39/90/160223990.db2.gz MPLACOXIBDVTIT-MCIONIFRSA-N 2 0 279.428 1.554 10 0 CDAERP C[C@@H](C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[C@H]([NH3+])c1ccccc1 ZINC000662748313 413428139 /nfs/dbraw/zinc/42/81/39/413428139.db2.gz PJLGLSKWDCEMOT-ZRJCITRHSA-N 2 0 279.359 1.220 10 0 CDAERP C[C@@H]1CN(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)CC[C@H]1[NH3+] ZINC000417541539 296830641 /nfs/dbraw/zinc/83/06/41/296830641.db2.gz YSNGDZHXJGICQJ-KBUPBQIOSA-N 2 0 296.459 1.628 10 0 CDAERP NC(=[NH2+])NCCCCCCCCCCCCNC(N)=[NH2+] ZINC000003807921 169913416 /nfs/dbraw/zinc/91/34/16/169913416.db2.gz ZIZFGSKWOGWBOO-UHFFFAOYSA-N 2 0 284.452 1.854 10 0 CDAERP C[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2C[NH3+])C1 ZINC000022154255 171361177 /nfs/dbraw/zinc/36/11/77/171361177.db2.gz KBDORZIEBSIWRX-LBPRGKRZSA-N 2 0 261.369 1.816 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000653214481 412140686 /nfs/dbraw/zinc/14/06/86/412140686.db2.gz XFDTYSNZEAGGNK-LBPRGKRZSA-N 2 0 261.369 1.022 10 0 CDAERP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@@H]3CCCC[C@@H]3[NH2+]1)C2 ZINC000653198132 412130252 /nfs/dbraw/zinc/13/02/52/412130252.db2.gz KJSBBHRBHGVMFO-BWJWTDLKSA-N 2 0 291.439 1.495 10 0 CDAERP C[NH2+]Cc1ccc(NC(=O)[C@@H]([NH3+])COC(C)C)cc1 ZINC000662781132 413489181 /nfs/dbraw/zinc/48/91/81/413489181.db2.gz AIEBGVREOFQXTL-ZDUSSCGKSA-N 2 0 265.357 1.097 10 0 CDAERP CN(CC(C)(C)[NH3+])C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000659000257 413492811 /nfs/dbraw/zinc/49/28/11/413492811.db2.gz WLNYHYVJQGFJOA-UHFFFAOYSA-N 2 0 288.355 1.468 10 0 CDAERP CN(CC1CC[NH+](C)CC1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654658302 413547695 /nfs/dbraw/zinc/54/76/95/413547695.db2.gz IBAMLOJZPSKFKY-GASCZTMLSA-N 2 0 296.459 1.310 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000252114910 287268076 /nfs/dbraw/zinc/26/80/76/287268076.db2.gz IJLDVNYUPBREDR-RDBSUJKOSA-N 2 0 267.417 1.495 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662925979 413711515 /nfs/dbraw/zinc/71/15/15/413711515.db2.gz MNYBAWZDYVXJBS-KOLCDFICSA-N 2 0 281.322 1.018 10 0 CDAERP CCCC[C@@H](C[NH3+])NC(=O)N[C@@H](C)c1nccn1C ZINC000659522323 413920518 /nfs/dbraw/zinc/92/05/18/413920518.db2.gz BNUGNYFUXYYURA-QWRGUYRKSA-N 2 0 267.377 1.298 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NCCCCC[NH+]1CCCC1 ZINC000659496614 413887739 /nfs/dbraw/zinc/88/77/39/413887739.db2.gz UAOYDKGMYVGJIO-OAHLLOKOSA-N 2 0 298.475 1.925 10 0 CDAERP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1c(C2CCC2)cnn1C ZINC000665273637 414005952 /nfs/dbraw/zinc/00/59/52/414005952.db2.gz AKXMHKXICBWJSA-MNOVXSKESA-N 2 0 250.390 1.903 10 0 CDAERP CS(=O)(=O)CC1(CC[NH2+]C2CCC(C[NH3+])CC2)CC1 ZINC000665235020 413954912 /nfs/dbraw/zinc/95/49/12/413954912.db2.gz OFIVTEWBVLVKLM-UHFFFAOYSA-N 2 0 288.457 1.308 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000655044659 413959791 /nfs/dbraw/zinc/95/97/91/413959791.db2.gz PYTVRWOMIVPGSX-WLYUNCDWSA-N 2 0 279.428 1.461 10 0 CDAERP COC[C@H](CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)OC ZINC000665234805 413959871 /nfs/dbraw/zinc/95/98/71/413959871.db2.gz KIWITIWFTLXUQM-GBJTYRQASA-N 2 0 270.417 1.548 10 0 CDAERP COc1ccc(C[C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)cn1 ZINC000665282099 414018977 /nfs/dbraw/zinc/01/89/77/414018977.db2.gz QPRHJKXWKZRBEE-TZMCWYRMSA-N 2 0 265.401 1.984 10 0 CDAERP CC(C)[C@H]([NH3+])CCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000665283420 414021039 /nfs/dbraw/zinc/02/10/39/414021039.db2.gz NLCXPVCVTLOFOW-GBJTYRQASA-N 2 0 269.433 1.107 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000659618458 414024755 /nfs/dbraw/zinc/02/47/55/414024755.db2.gz BTPANAWPHJGVSZ-RBSFLKMASA-N 2 0 296.459 1.628 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000659624619 414034968 /nfs/dbraw/zinc/03/49/68/414034968.db2.gz VVSHJQXVTURXCQ-ZIAGYGMSSA-N 2 0 284.448 1.343 10 0 CDAERP CC[NH+]1CCC(C[NH3+])(N(C)[C@H]2CCSC2)CC1 ZINC000037174588 173009518 /nfs/dbraw/zinc/00/95/18/173009518.db2.gz KZQHQEWPANFPPC-LBPRGKRZSA-N 2 0 257.447 1.237 10 0 CDAERP CC(C)C(=O)NCC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C)C1 ZINC000037220611 173039245 /nfs/dbraw/zinc/03/92/45/173039245.db2.gz PLKHADQNUBJODO-CHWSQXEVSA-N 2 0 255.406 1.079 10 0 CDAERP NC(=[NH2+])NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000663234750 414070891 /nfs/dbraw/zinc/07/08/91/414070891.db2.gz WAUNSWFATIRFHE-CQSZACIVSA-N 2 0 272.396 1.772 10 0 CDAERP CCCn1nccc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000657312552 414154689 /nfs/dbraw/zinc/15/46/89/414154689.db2.gz KQVUXURJGQEDOB-UHFFFAOYSA-N 2 0 280.416 1.495 10 0 CDAERP COC[C@@H](C[N@@H+]1CCC[C@@H](n2ccnc2)C1)OC ZINC000659883520 414225374 /nfs/dbraw/zinc/22/53/74/414225374.db2.gz VMHFMMJDPZRAIX-CHWSQXEVSA-N 2 0 253.346 1.181 10 0 CDAERP CC[C@@H]1C[C@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)CO1 ZINC000657356493 414225962 /nfs/dbraw/zinc/22/59/62/414225962.db2.gz MZFDMGAUAVSJOD-SOUVJXGZSA-N 2 0 270.417 1.380 10 0 CDAERP O[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657373226 414238563 /nfs/dbraw/zinc/23/85/63/414238563.db2.gz QEGXMCIOAZYDPJ-XJKSGUPXSA-N 2 0 286.379 1.908 10 0 CDAERP C[C@@H]1C[C@@H](NCc2nc3c(s2)C[NH2+]CC3)CC[NH2+]1 ZINC000663497420 414296134 /nfs/dbraw/zinc/29/61/34/414296134.db2.gz NYTGRQLDFZENII-ZJUUUORDSA-N 2 0 266.414 1.019 10 0 CDAERP O=C(c1ccoc1)N1CCC([NH2+]CC23CC(C2)C[NH2+]3)CC1 ZINC000663497845 414298412 /nfs/dbraw/zinc/29/84/12/414298412.db2.gz KPMSAKGXWJMZKS-UHFFFAOYSA-N 2 0 289.379 1.226 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2ccsc2)CC1 ZINC000663504236 414304971 /nfs/dbraw/zinc/30/49/71/414304971.db2.gz WPRVSLXXDIGSSB-UHFFFAOYSA-N 2 0 295.452 1.828 10 0 CDAERP CC[C@H](C)[NH2+]CC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000037770636 173702553 /nfs/dbraw/zinc/70/25/53/173702553.db2.gz ZPRPOBBYHBBAKV-LBPRGKRZSA-N 2 0 269.433 1.754 10 0 CDAERP CC(C)C[C@@H]([NH3+])C(=O)N1CCN2CCCC[C@H]2C1 ZINC000130095602 414413547 /nfs/dbraw/zinc/41/35/47/414413547.db2.gz GPWPOBROZYWYGM-QWHCGFSZSA-N 2 0 253.390 1.057 10 0 CDAERP Clc1cccc([C@@H]2C[NH2+]CCN2C[C@@H]2C[NH2+]CCO2)c1 ZINC000662273705 414605503 /nfs/dbraw/zinc/60/55/03/414605503.db2.gz YSIQZIMDCMZSJR-GJZGRUSLSA-N 2 0 295.814 1.275 10 0 CDAERP FC(F)COCC[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294624 414620709 /nfs/dbraw/zinc/62/07/09/414620709.db2.gz RIYUDVFNJZBWFF-ZDUSSCGKSA-N 2 0 276.371 1.980 10 0 CDAERP C[NH+](C)CCC[C@H]1C[N@H+](CC2(C)COC2)CCO1 ZINC000662318936 414635875 /nfs/dbraw/zinc/63/58/75/414635875.db2.gz BMVWOTIMHVLEBZ-ZDUSSCGKSA-N 2 0 256.390 1.066 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCCC[NH2+]1)[NH+]1CCCCC1 ZINC000038029423 174020200 /nfs/dbraw/zinc/02/02/00/174020200.db2.gz DUGSFUYPROWZAH-OLZOCXBDSA-N 2 0 253.390 1.119 10 0 CDAERP C[C@@H](CNC(=O)[C@H]([NH3+])Cc1ccccc1)[NH+]1CCCCC1 ZINC000038029482 174020420 /nfs/dbraw/zinc/02/04/20/174020420.db2.gz BRKXRDYOBANBQM-GOEBONIOSA-N 2 0 289.423 1.547 10 0 CDAERP CC[C@@H](c1ccc(C)cc1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038030934 174023307 /nfs/dbraw/zinc/02/33/07/174023307.db2.gz WKASDGHGZLMXEV-INIZCTEOSA-N 2 0 289.423 1.810 10 0 CDAERP CC1CCC([N@@H+]2CCC[C@H]2C(=O)N2CC[NH2+]CC2)CC1 ZINC000040508053 174302608 /nfs/dbraw/zinc/30/26/08/174302608.db2.gz BBZYEYKGYFJOBW-NRXISQOPSA-N 2 0 279.428 1.461 10 0 CDAERP C[NH2+]C[C@H]1CCCN(C[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000040599088 174349903 /nfs/dbraw/zinc/34/99/03/174349903.db2.gz CIFRYTSCRUBTLG-HZPDHXFCSA-N 2 0 283.460 1.275 10 0 CDAERP C[NH+](C)[C@H](CN[C@H]1CCC[NH2+]C1)c1cccs1 ZINC000043324951 175006951 /nfs/dbraw/zinc/00/69/51/175006951.db2.gz PKUVCTFGVAWSIU-NWDGAFQWSA-N 2 0 253.415 1.692 10 0 CDAERP C[C@@H]([NH3+])[C@H](c1ccncc1)N(C)C1CC[NH+](C)CC1 ZINC000043353026 175020390 /nfs/dbraw/zinc/02/03/90/175020390.db2.gz YOJGIDAMIYQBAD-IUODEOHRSA-N 2 0 262.401 1.496 10 0 CDAERP Cc1ccc([C@H]([C@@H](C)[NH3+])N2CCC[N@H+](C)CC2)o1 ZINC000043363929 175024764 /nfs/dbraw/zinc/02/47/64/175024764.db2.gz GMEPAKSDHTUKOU-OCCSQVGLSA-N 2 0 251.374 1.614 10 0 CDAERP CC[NH+]1CCC(N(C)[C@H]([C@@H](C)[NH3+])C(F)(F)F)CC1 ZINC000043379164 175030914 /nfs/dbraw/zinc/03/09/14/175030914.db2.gz DLNKNHXUGUFGLC-MWLCHTKSSA-N 2 0 267.339 1.681 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000043591501 175073885 /nfs/dbraw/zinc/07/38/85/175073885.db2.gz JLQRMMOFIDSJKX-KBPBESRZSA-N 2 0 269.433 1.469 10 0 CDAERP C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1cc(OC)ccc1OC ZINC000043810469 175109447 /nfs/dbraw/zinc/10/94/47/175109447.db2.gz MAKLPTKLKCKEOX-HNNXBMFYSA-N 2 0 293.411 1.212 10 0 CDAERP CC[NH2+][C@@H]1c2ccccc2CC[C@@H]1N1CC[NH+](C)CC1 ZINC000043810875 175110011 /nfs/dbraw/zinc/11/00/11/175110011.db2.gz XTVCACHLYMYXQN-DLBZAZTESA-N 2 0 273.424 1.899 10 0 CDAERP CC[NH2+][C@@H]1c2ccccc2C[C@@H]1N1CCC[N@H+](C)CC1 ZINC000043818378 175113194 /nfs/dbraw/zinc/11/31/94/175113194.db2.gz KDEPEGBUIPBCMD-DLBZAZTESA-N 2 0 273.424 1.899 10 0 CDAERP C[NH2+][C@@H]1c2ccccc2C[C@H]1N1CCC[N@H+](C)CC1 ZINC000043818118 175113444 /nfs/dbraw/zinc/11/34/44/175113444.db2.gz QICSWRWONOCFLE-HZPDHXFCSA-N 2 0 259.397 1.509 10 0 CDAERP CCC[NH2+][C@H]1CCCC[C@H]1N1CCC[N@H+](C)CC1 ZINC000043818593 175114030 /nfs/dbraw/zinc/11/40/30/175114030.db2.gz HAFKGAOHOLYXNA-LSDHHAIUSA-N 2 0 253.434 1.935 10 0 CDAERP CC[NH+]1CCC(CNC(=O)C2CCC([NH3+])CC2)CC1 ZINC000044526713 175191999 /nfs/dbraw/zinc/19/19/99/175191999.db2.gz MRSMBKLMEGGWKA-UHFFFAOYSA-N 2 0 267.417 1.352 10 0 CDAERP CCCC(C[NH3+])(CCC)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000044808408 175256833 /nfs/dbraw/zinc/25/68/33/175256833.db2.gz UVRIEFBVWWBGDS-AWEZNQCLSA-N 2 0 283.460 1.990 10 0 CDAERP CC[C@@H]([NH3+])c1cccc(S(=O)(=O)NC[C@@H](C)[NH+](C)C)c1 ZINC000045110276 175310023 /nfs/dbraw/zinc/31/00/23/175310023.db2.gz IGZLNDVJSZXNFK-BXUZGUMPSA-N 2 0 299.440 1.325 10 0 CDAERP CCC[NH2+][C@](C)(CCC[N@H+]1C[C@H](C)C[C@H](C)C1)C(N)=O ZINC000045373627 175365256 /nfs/dbraw/zinc/36/52/56/175365256.db2.gz NLDYKSQYBVSUFD-IJEWVQPXSA-N 2 0 283.460 1.988 10 0 CDAERP CC(C)[NH2+][C@@](C)(CCC[NH+]1C[C@H](C)C[C@@H](C)C1)C(N)=O ZINC000045373658 175365582 /nfs/dbraw/zinc/36/55/82/175365582.db2.gz GDYRRFACZCXKDT-FMKPAKJESA-N 2 0 283.460 1.987 10 0 CDAERP CCC[N@H+](C)CCCC[C@@](C)([NH2+]C(C)C)C(N)=O ZINC000045382238 175370990 /nfs/dbraw/zinc/37/09/90/175370990.db2.gz OWWCEKRQRXGXCF-CQSZACIVSA-N 2 0 257.422 1.741 10 0 CDAERP CCC[NH2+][C@](C)(CCC[N@H+](CC)CCC)C(N)=O ZINC000045387118 175372682 /nfs/dbraw/zinc/37/26/82/175372682.db2.gz NVMJZZAVMHAXBI-CQSZACIVSA-N 2 0 257.422 1.742 10 0 CDAERP CC[NH2+][C@](C)(CCCC[N@H+](C)CC1CC1)C(N)=O ZINC000045419920 175377942 /nfs/dbraw/zinc/37/79/42/175377942.db2.gz RGONDPAQUPHBCP-CQSZACIVSA-N 2 0 255.406 1.352 10 0 CDAERP CCOC1CC[NH+](CCC[C@](C)([NH2+]C2CC2)C(N)=O)CC1 ZINC000045420155 175378712 /nfs/dbraw/zinc/37/87/12/175378712.db2.gz CYHJBRJYVXMTNR-INIZCTEOSA-N 2 0 297.443 1.264 10 0 CDAERP CC[N@@H+]1CCN(C[C@@H](C[NH3+])c2ccccc2)C[C@@H]1C ZINC000070942705 176016101 /nfs/dbraw/zinc/01/61/01/176016101.db2.gz AEXMBOQPLXAISX-GOEBONIOSA-N 2 0 261.413 1.755 10 0 CDAERP C[NH2+]Cc1cc(N(C)CC[NH+](C)C)nc2ccccc12 ZINC000070943327 176016182 /nfs/dbraw/zinc/01/61/82/176016182.db2.gz BWAXPOPVWFRYGK-UHFFFAOYSA-N 2 0 272.396 1.952 10 0 CDAERP CC(C)[NH2+][C@H]1CCCN(CC(C)(C)[NH+](C)C)C1=O ZINC000071031577 176023178 /nfs/dbraw/zinc/02/31/78/176023178.db2.gz NMAWBFMEWWVDCC-LBPRGKRZSA-N 2 0 255.406 1.316 10 0 CDAERP CCC[NH2+][C@H]1CCCN(C[C@@H]2CCC[N@@H+]2CC)C1=O ZINC000071032765 176023447 /nfs/dbraw/zinc/02/34/47/176023447.db2.gz LKYAJTFEZMNEEL-KBPBESRZSA-N 2 0 267.417 1.461 10 0 CDAERP CCC[NH2+][C@@H]1CCCN([C@H](C)C[NH+]2CCCC2)C1=O ZINC000071033568 176023981 /nfs/dbraw/zinc/02/39/81/176023981.db2.gz NMRGTBRLFBIMRJ-ZIAGYGMSSA-N 2 0 267.417 1.461 10 0 CDAERP CC[NH2+][C@H]1CCN(CC[NH+](C(C)C)C(C)C)C1=O ZINC000071036165 176025312 /nfs/dbraw/zinc/02/53/12/176025312.db2.gz FWCADUQQAPLUJM-ZDUSSCGKSA-N 2 0 255.406 1.316 10 0 CDAERP COc1ccc(C[C@](C)(C[NH3+])N2CCC[N@H+](C)CC2)cc1 ZINC000071169080 176050134 /nfs/dbraw/zinc/05/01/34/176050134.db2.gz IVQJTGOEEDXPIX-QGZVFWFLSA-N 2 0 291.439 1.593 10 0 CDAERP CN(C[C@H]1CC[N@H+](C)C1)C(=O)C1([NH3+])CCCCC1 ZINC000071189709 176065232 /nfs/dbraw/zinc/06/52/32/176065232.db2.gz BINTYCNYXMXSPR-LBPRGKRZSA-N 2 0 253.390 1.058 10 0 CDAERP CC[N@@H+]1CCC[C@@H](N2CCC[C@H]([NH2+]C3CC3)C2)C1 ZINC000071200670 176077739 /nfs/dbraw/zinc/07/77/39/176077739.db2.gz KWDDGLSFKPIYSZ-LSDHHAIUSA-N 2 0 251.418 1.687 10 0 CDAERP C[C@@H]1CC[C@@H]([NH3+])C[C@@H]1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000071380150 176144609 /nfs/dbraw/zinc/14/46/09/176144609.db2.gz KDJUGTXVVOBNAJ-NFAWXSAZSA-N 2 0 281.444 1.741 10 0 CDAERP COc1ccc(CC[N@@H+]2CCO[C@@H](CC[NH3+])C2)cc1 ZINC000071597003 176220372 /nfs/dbraw/zinc/22/03/72/176220372.db2.gz PWGVVEPGJJJARB-HNNXBMFYSA-N 2 0 264.369 1.287 10 0 CDAERP C[NH+](C)[C@H]1CCN(C(=O)CC[C@@H](CC[NH3+])C(C)(C)C)C1 ZINC000079294014 177465885 /nfs/dbraw/zinc/46/58/85/177465885.db2.gz STXBTXNJONJBAZ-KBPBESRZSA-N 2 0 283.460 1.940 10 0 CDAERP C[NH+](C)CCc1ccc(C[NH2+]C[C@H](O)C(F)(F)F)cc1 ZINC000516922894 260285019 /nfs/dbraw/zinc/28/50/19/260285019.db2.gz URJZUSIWOQHAQF-ZDUSSCGKSA-N 2 0 290.329 1.804 10 0 CDAERP CC(C)[N@H+](C[C@H]1CCC(=O)N1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000415138149 263275388 /nfs/dbraw/zinc/27/53/88/263275388.db2.gz JTFCBTZZPYXICO-HZSPNIEDSA-N 2 0 267.417 1.364 10 0 CDAERP COCC[N@@H+](Cc1cccs1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249110 423792993 /nfs/dbraw/zinc/79/29/93/423792993.db2.gz PIIFWVPURJHJKM-ZDUSSCGKSA-N 2 0 296.436 1.718 10 0 CDAERP C[NH2+]CCCNC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659505283 423824040 /nfs/dbraw/zinc/82/40/40/423824040.db2.gz LGKRDOAFIMMMKL-CQSZACIVSA-N 2 0 282.432 1.017 10 0 CDAERP COCC[N@@H+]1CC[C@@H](NCCC[NH+](C)CC(C)C)C1 ZINC000651865652 423826463 /nfs/dbraw/zinc/82/64/63/423826463.db2.gz BWFKDQZKJZEFRQ-OAHLLOKOSA-N 2 0 271.449 1.275 10 0 CDAERP Clc1ccccc1[C@H]1C[NH2+]CCN1C[C@H]1C[NH2+]CCO1 ZINC000662272857 423829388 /nfs/dbraw/zinc/82/93/88/423829388.db2.gz RGQPQNAEKGKFIP-IUODEOHRSA-N 2 0 295.814 1.275 10 0 CDAERP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2C[C@@H](C(N)=O)C2)CC1 ZINC000651939719 423942038 /nfs/dbraw/zinc/94/20/38/423942038.db2.gz OGDJBDWBJCPIJP-VDERGJSUSA-N 2 0 293.455 1.883 10 0 CDAERP [NH3+]Cc1cn([C@@H]2CCC[N@H+](CC[C@H]3CCCCO3)C2)nn1 ZINC000662284025 423894654 /nfs/dbraw/zinc/89/46/54/423894654.db2.gz WTJHOJAVBMSKTH-HUUCEWRRSA-N 2 0 293.415 1.333 10 0 CDAERP C[C@@H]1CCC[N@H+](CCO[C@@H]2CC2(F)F)[C@H]1CC[NH3+] ZINC000662287168 423913180 /nfs/dbraw/zinc/91/31/80/423913180.db2.gz XKCVNOAUJAECHM-GRYCIOLGSA-N 2 0 262.344 1.860 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000652225008 424082584 /nfs/dbraw/zinc/08/25/84/424082584.db2.gz NBXYWPOWYPWMOI-KGLIPLIRSA-N 2 0 284.448 1.343 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000652224983 424084516 /nfs/dbraw/zinc/08/45/16/424084516.db2.gz MPGYSYNZQACYEO-ZIAGYGMSSA-N 2 0 284.448 1.356 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000652225363 424086507 /nfs/dbraw/zinc/08/65/07/424086507.db2.gz XFQFTJFHNBJHFP-UONOGXRCSA-N 2 0 284.448 1.343 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC[N@@H+]1C ZINC000655245116 424054073 /nfs/dbraw/zinc/05/40/73/424054073.db2.gz ATBYQERRXIJEDU-XDQVBPFNSA-N 2 0 267.417 1.173 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)C1 ZINC000655245346 424054841 /nfs/dbraw/zinc/05/48/41/424054841.db2.gz KJLKAGHJLAIEKI-YUTCNCBUSA-N 2 0 265.401 1.070 10 0 CDAERP [NH3+]CCCCC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662591652 424211052 /nfs/dbraw/zinc/21/10/52/424211052.db2.gz BXRIGCLHNBSWBH-CQSZACIVSA-N 2 0 267.417 1.354 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000662622133 424244551 /nfs/dbraw/zinc/24/45/51/424244551.db2.gz PHFIKGOXMBQOBW-SWLSCSKDSA-N 2 0 267.417 1.508 10 0 CDAERP CN(CC(=O)N1CCCC1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652336904 424253207 /nfs/dbraw/zinc/25/32/07/424253207.db2.gz LWSSZYSHVJXIAO-UHFFFAOYSA-N 2 0 287.407 1.387 10 0 CDAERP C[NH+](C)CC(C)(C)CNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662660110 424282807 /nfs/dbraw/zinc/28/28/07/424282807.db2.gz BROXGUMBAGERNB-UHFFFAOYSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653116664 424300943 /nfs/dbraw/zinc/30/09/43/424300943.db2.gz OLYMZUHCOOCUBR-ZNMIVQPWSA-N 2 0 281.444 1.755 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000518959934 265249863 /nfs/dbraw/zinc/24/98/63/265249863.db2.gz SEJPMFLKMGGCKM-FXUDXRNXSA-N 2 0 293.455 1.885 10 0 CDAERP C[C@@H]1CN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)C[C@@]1(C)C[NH3+] ZINC000518977140 265271138 /nfs/dbraw/zinc/27/11/38/265271138.db2.gz BJFYQCFJIRRCNF-IJEWVQPXSA-N 2 0 281.444 1.694 10 0 CDAERP CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2CC[NH+]2C(C)(C)C)C1 ZINC000661406538 424326163 /nfs/dbraw/zinc/32/61/63/424326163.db2.gz JOOKMLFWSCFMBH-ZIAGYGMSSA-N 2 0 296.459 1.643 10 0 CDAERP CC1([NH3+])CCN(C(=O)c2ccccc2CC[NH3+])CC1 ZINC000653132918 424339603 /nfs/dbraw/zinc/33/96/03/424339603.db2.gz MANKUMHRXBBEEA-UHFFFAOYSA-N 2 0 261.369 1.141 10 0 CDAERP C[C@@H](CC[NH+](C)C)NC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662702234 424341744 /nfs/dbraw/zinc/34/17/44/424341744.db2.gz IIVQCUWXJRKDSR-NSHDSACASA-N 2 0 253.390 1.118 10 0 CDAERP C[C@H]([NH2+]C1CCN([C@H]2CCOC2)CC1)[C@H]1CCCCO1 ZINC000655747923 424365414 /nfs/dbraw/zinc/36/54/14/424365414.db2.gz MDUASVVFKXCIEU-CWRNSKLLSA-N 2 0 282.428 1.787 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000659618584 424412953 /nfs/dbraw/zinc/41/29/53/424412953.db2.gz CZUKTEJEYIGTPS-SOUVJXGZSA-N 2 0 296.459 1.628 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000659617903 424412975 /nfs/dbraw/zinc/41/29/75/424412975.db2.gz AACSORYDEWLOOE-CYBMUJFWSA-N 2 0 284.448 1.533 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC[C@]1(C)CC1(F)F ZINC000665266923 424481332 /nfs/dbraw/zinc/48/13/32/424481332.db2.gz LWTLBWJOUJFBBU-NNYUYHANSA-N 2 0 262.344 1.764 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCC23CCC3)CC1 ZINC000665289856 424497052 /nfs/dbraw/zinc/49/70/52/424497052.db2.gz YXMXQAIBNWORPY-OAHLLOKOSA-N 2 0 293.455 1.899 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000655489177 424503638 /nfs/dbraw/zinc/50/36/38/424503638.db2.gz MVJAOFKPJHNGOI-MAZHCROVSA-N 2 0 287.407 1.157 10 0 CDAERP CCC[C@@](C)([NH3+])C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662972178 424579749 /nfs/dbraw/zinc/57/97/49/424579749.db2.gz JEFCUUZWGQJCLZ-DZGCQCFKSA-N 2 0 285.432 1.073 10 0 CDAERP CCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001667238560 1173249188 /nfs/dbraw/zinc/24/91/88/1173249188.db2.gz MTDJQMYQKQNUBD-GJZGRUSLSA-N 2 0 281.444 1.851 10 0 CDAERP C[C@H](O)C[NH2+]CC[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001667279502 1173251763 /nfs/dbraw/zinc/25/17/63/1173251763.db2.gz UQWMZKAIRYQKDS-GJZGRUSLSA-N 2 0 299.459 1.070 10 0 CDAERP CC(C)[C@H](C[NH2+][C@H](C)[C@H]1C[C@H]1C)N1CC[NH+](C)CC1 ZINC000321754617 270330232 /nfs/dbraw/zinc/33/02/32/270330232.db2.gz BNQSKRICKKBYTQ-WCVJEAGWSA-N 2 0 267.461 1.893 10 0 CDAERP C[C@@H]([NH3+])C1CC[NH+](Cc2cc(CO)ccc2F)CC1 ZINC000530206237 271150082 /nfs/dbraw/zinc/15/00/82/271150082.db2.gz ABFXKSCGQSEEMJ-LLVKDONJSA-N 2 0 266.360 1.877 10 0 CDAERP CC(C)(C)OC(=O)N1C[C@@H](C[NH3+])[C@H]([NH+]2CCCCC2)C1 ZINC000058041306 275827017 /nfs/dbraw/zinc/82/70/17/275827017.db2.gz YAAFBUZCEHDXRW-CHWSQXEVSA-N 2 0 283.416 1.667 10 0 CDAERP CC[NH2+]CC[C@H](C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001668215254 1173382599 /nfs/dbraw/zinc/38/25/99/1173382599.db2.gz ZDVVNGIWMDMNIC-SWLSCSKDSA-N 2 0 287.423 1.703 10 0 CDAERP CC(C)(C)[NH+]1CCC(NC(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000334887371 277149705 /nfs/dbraw/zinc/14/97/05/277149705.db2.gz DWDNSHMVVGZWLZ-LBPRGKRZSA-N 2 0 282.432 1.382 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2(CO)CCC2)[C@H]2CCC[C@@H]21 ZINC000375898718 277170171 /nfs/dbraw/zinc/17/01/71/277170171.db2.gz WNZGRYKXZBFIGF-RDBSUJKOSA-N 2 0 252.402 1.611 10 0 CDAERP COc1cccc(CC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000423005001 278009523 /nfs/dbraw/zinc/00/95/23/278009523.db2.gz LJMDGVOCMUKONT-TZMCWYRMSA-N 2 0 263.385 1.740 10 0 CDAERP COc1ccccc1N1CC[C@H]([NH2+][C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000422873715 278055881 /nfs/dbraw/zinc/05/58/81/278055881.db2.gz LWNNEGDYWPPALG-SOUVJXGZSA-N 2 0 289.423 1.991 10 0 CDAERP CS[C@@H]1CC[C@H]1[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000425363870 278147492 /nfs/dbraw/zinc/14/74/92/278147492.db2.gz WXAQHWSIVSVDPZ-YNEHKIRRSA-N 2 0 285.457 1.057 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000261640306 278221047 /nfs/dbraw/zinc/22/10/47/278221047.db2.gz KUYPOKFKIZUOPE-HZSPNIEDSA-N 2 0 279.428 1.508 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000417824557 278305841 /nfs/dbraw/zinc/30/58/41/278305841.db2.gz ADZRQJFORQYTOS-TZMCWYRMSA-N 2 0 261.369 1.287 10 0 CDAERP C[C@@H]1CN(C(=O)[C@H]2CCCC[C@@]2(C)[NH3+])C[C@@]1(C)C[NH3+] ZINC000417844228 278675029 /nfs/dbraw/zinc/67/50/29/278675029.db2.gz RHTANAOSZPJCEI-QHSBEEBCSA-N 2 0 267.417 1.337 10 0 CDAERP C[C@@H]1C[N@H+](C)C[C@@H]1NCCC[NH+]1CCCC[C@H]1C ZINC000343083526 288090512 /nfs/dbraw/zinc/09/05/12/288090512.db2.gz MFUUUMDKWNNANQ-KFWWJZLASA-N 2 0 253.434 1.791 10 0 CDAERP C[C@@H]1CN(C)C[C@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446886999 288097409 /nfs/dbraw/zinc/09/74/09/288097409.db2.gz MRYVIVWUNNXYAQ-IUODEOHRSA-N 2 0 251.418 1.401 10 0 CDAERP CC[N@H+](C)CCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000249889304 279033316 /nfs/dbraw/zinc/03/33/16/279033316.db2.gz DCVDBXDAZLFKFD-RRFJBIMHSA-N 2 0 253.434 1.839 10 0 CDAERP CC[N@H+](CC(=O)N1C[C@H]2CCC[NH+]2C[C@@H]1C)C1CC1 ZINC000152606777 279052979 /nfs/dbraw/zinc/05/29/79/279052979.db2.gz TZBBUBJKZDPZAP-GXTWGEPZSA-N 2 0 265.401 1.166 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000227868666 279130173 /nfs/dbraw/zinc/13/01/73/279130173.db2.gz IANBBZYMADRHFX-JHJVBQTASA-N 2 0 255.406 1.206 10 0 CDAERP CC[NH+](CCC[N@@H+](CC)[C@@H]1CCOC1)[C@@H]1CCOC1 ZINC000361593076 279179860 /nfs/dbraw/zinc/17/98/60/279179860.db2.gz XYTKNDVHXJIFIS-HUUCEWRRSA-N 2 0 270.417 1.598 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000414749609 279180256 /nfs/dbraw/zinc/18/02/56/279180256.db2.gz WKESXTLECKDOBK-IXDOHACOSA-N 2 0 296.503 1.318 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(C)[C@@H]1CC[NH+](C2CC2)C1 ZINC000360136544 279374462 /nfs/dbraw/zinc/37/44/62/279374462.db2.gz OQRDOFYSSDJULM-DZGCQCFKSA-N 2 0 296.459 1.593 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)N(C)C)[C@@H](C)C1 ZINC000429803682 279397748 /nfs/dbraw/zinc/39/77/48/279397748.db2.gz DCUCPJNPEUPSSM-QWHCGFSZSA-N 2 0 255.406 1.127 10 0 CDAERP CC[NH+](CC)CCCNC(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000194128479 280024588 /nfs/dbraw/zinc/02/45/88/280024588.db2.gz BRUICYBHSPNQAB-AWEZNQCLSA-N 2 0 284.448 1.502 10 0 CDAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H]2CCC[NH+](C)C2)C1 ZINC000247319638 280327879 /nfs/dbraw/zinc/32/78/79/280327879.db2.gz MJCWLDRNZKCGLH-KFWWJZLASA-N 2 0 296.459 1.356 10 0 CDAERP OC1(C[NH+]2CCC(C[NH+]3CCCC3)CC2)CCOCC1 ZINC000156156034 280399465 /nfs/dbraw/zinc/39/94/65/280399465.db2.gz BZXBLIHLMGZJRI-UHFFFAOYSA-N 2 0 282.428 1.336 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000517133283 280976593 /nfs/dbraw/zinc/97/65/93/280976593.db2.gz CLQSMJMXUDQTDM-WCQYABFASA-N 2 0 253.390 1.104 10 0 CDAERP CN(C(=O)c1ccccc1CC[NH3+])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000518208032 281016238 /nfs/dbraw/zinc/01/62/38/281016238.db2.gz NXQMMXFDJNJZHL-HNNXBMFYSA-N 2 0 287.407 1.497 10 0 CDAERP Cc1cc(C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)ccn1 ZINC000527635295 281164026 /nfs/dbraw/zinc/16/40/26/281164026.db2.gz AQIWUNFCIASGHP-QGZVFWFLSA-N 2 0 290.455 1.752 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000527658427 281167899 /nfs/dbraw/zinc/16/78/99/281167899.db2.gz ZXOYXZPFPLMQRI-VDERGJSUSA-N 2 0 265.445 1.647 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000251714957 288310827 /nfs/dbraw/zinc/31/08/27/288310827.db2.gz JPSBQOPHCPUBBA-HZSPNIEDSA-N 2 0 277.412 1.071 10 0 CDAERP CN(C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)C1CC[NH+](C)CC1 ZINC000250639918 288896555 /nfs/dbraw/zinc/89/65/55/288896555.db2.gz SVLFBQQNJLNLKX-CFVMTHIKSA-N 2 0 279.428 1.460 10 0 CDAERP CCN(CC[NH2+]CC(C)C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001668652602 1173436561 /nfs/dbraw/zinc/43/65/61/1173436561.db2.gz RMRMLHQAKZWVHB-GASCZTMLSA-N 2 0 283.460 1.953 10 0 CDAERP C[NH+](C)C1(CN[C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CCCCC1 ZINC000422756578 289060576 /nfs/dbraw/zinc/06/05/76/289060576.db2.gz LTAYUQWEWBKIQG-JKSUJKDBSA-N 2 0 295.471 1.608 10 0 CDAERP C[NH+]1CCC(CC[NH2+][C@H](C2CC2)[C@@H]2CNCCO2)CC1 ZINC000422734015 289876841 /nfs/dbraw/zinc/87/68/41/289876841.db2.gz BXQUULWYQUXQKQ-JKSUJKDBSA-N 2 0 281.444 1.075 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C(N)=O)nc2)[C@H]2CCC[C@@H]21 ZINC000552244549 290062112 /nfs/dbraw/zinc/06/21/12/290062112.db2.gz FCEKNCDNZHTNPH-IPYPFGDCSA-N 2 0 288.395 1.143 10 0 CDAERP C[C@H](NCC[N@H+](C)C1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000556951991 290318602 /nfs/dbraw/zinc/31/86/02/290318602.db2.gz LLVJDQKSCMAPHE-KBPBESRZSA-N 2 0 253.434 1.839 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000561259755 293069962 /nfs/dbraw/zinc/06/99/62/293069962.db2.gz SYGXCSXDOXNDMQ-CVEARBPZSA-N 2 0 293.455 1.805 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000422829870 293097321 /nfs/dbraw/zinc/09/73/21/293097321.db2.gz CECUDDVKQRDBRS-HZSPNIEDSA-N 3 0 257.422 1.203 10 0 CDAERP C[C@H](NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)[C@H]1CCC[NH2+]C1 ZINC000562814845 293203631 /nfs/dbraw/zinc/20/36/31/293203631.db2.gz KNGQBRWRCITJMV-DZKIICNBSA-N 2 0 294.443 1.160 10 0 CDAERP COC[C@](C)(O)CC[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423148170 293261901 /nfs/dbraw/zinc/26/19/01/293261901.db2.gz URLZFNSMFWVQJY-RRFJBIMHSA-N 2 0 272.433 1.674 10 0 CDAERP C[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1CCCC1 ZINC000563083205 293267302 /nfs/dbraw/zinc/26/73/02/293267302.db2.gz ZHHSVNOBXQMYHW-CQSZACIVSA-N 2 0 298.475 1.700 10 0 CDAERP Cc1nc(C[C@H]2CCC[N@H+](C[C@]3(C)CC[NH2+]C3)C2)no1 ZINC000261732995 293277033 /nfs/dbraw/zinc/27/70/33/293277033.db2.gz HKOSSCRZNCYBND-UKRRQHHQSA-N 2 0 278.400 1.632 10 0 CDAERP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)[C@H]([NH3+])CC(F)F ZINC000567736972 293856099 /nfs/dbraw/zinc/85/60/99/293856099.db2.gz GETBVQYNVYRRQB-NEPJUHHUSA-N 2 0 283.322 1.054 10 0 CDAERP [NH3+]C[C@H](NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000568373185 294022422 /nfs/dbraw/zinc/02/24/22/294022422.db2.gz XUHSFIGFSGFOEX-KGLIPLIRSA-N 2 0 280.416 1.040 10 0 CDAERP CCc1ccc(CN2CCN(C(=O)[C@H](C)[NH2+]C)CC2)s1 ZINC000569000365 294139496 /nfs/dbraw/zinc/13/94/96/294139496.db2.gz HLTKWPUKFVTQBD-LBPRGKRZSA-N 2 0 295.452 1.563 10 0 CDAERP FC1(F)CCC[C@@H](C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000261703378 294715747 /nfs/dbraw/zinc/71/57/47/294715747.db2.gz ISMHHJRTSZMUJC-ZIAGYGMSSA-N 2 0 287.398 1.791 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000336531690 295277721 /nfs/dbraw/zinc/27/77/21/295277721.db2.gz IRQBECFWKRQMEJ-INIZCTEOSA-N 2 0 287.407 1.750 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000164685722 295314074 /nfs/dbraw/zinc/31/40/74/295314074.db2.gz CTGPRLBZRURIFM-HUUCEWRRSA-N 2 0 279.428 1.637 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)[C@H]2[NH2+]CCCC2(C)C)CC[NH2+]1 ZINC000417811123 297437851 /nfs/dbraw/zinc/43/78/51/297437851.db2.gz CZQLEQXCYAHPAD-IJLUTSLNSA-N 2 0 253.390 1.021 10 0 CDAERP C[C@H](CC(=O)N1CC[C@H]([NH+](C)C)C1)[C@H]1CCC[NH2+]C1 ZINC000251461397 298295856 /nfs/dbraw/zinc/29/58/56/298295856.db2.gz CSBCKMHDIDQFLG-RDBSUJKOSA-N 2 0 267.417 1.175 10 0 CDAERP C[C@H](CCC[NH3+])NC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000417539656 298396377 /nfs/dbraw/zinc/39/63/77/298396377.db2.gz VXZBCXKMVBKRIU-MGPQQGTHSA-N 2 0 284.448 1.676 10 0 CDAERP CCCCC[NH2+]C[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001669446281 1173550549 /nfs/dbraw/zinc/55/05/49/1173550549.db2.gz CSOGLQNZRMRGFA-KGLIPLIRSA-N 2 0 269.433 1.613 10 0 CDAERP CCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001669979043 1173639205 /nfs/dbraw/zinc/63/92/05/1173639205.db2.gz ANDWQDSIESOBRB-HUUCEWRRSA-N 2 0 281.444 1.757 10 0 CDAERP CN(CCC[NH2+]CCCF)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001670095454 1173653156 /nfs/dbraw/zinc/65/31/56/1173653156.db2.gz LOAWZOJNCMEDHL-AWEZNQCLSA-N 2 0 285.407 1.126 10 0 CDAERP CC[NH+](CC)C[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000563384445 316282447 /nfs/dbraw/zinc/28/24/47/316282447.db2.gz MHZCBOHWHYZOPM-CABCVRRESA-N 2 0 281.444 1.519 10 0 CDAERP CC[NH2+]CCCNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000569947018 316882578 /nfs/dbraw/zinc/88/25/78/316882578.db2.gz KWXKVILMNMWWRI-UHFFFAOYSA-N 2 0 296.459 1.503 10 0 CDAERP [NH3+][C@H]1CCCCCC[C@H]1C(=O)NCCNc1cc[nH+]cc1 ZINC000577175057 317278631 /nfs/dbraw/zinc/27/86/31/317278631.db2.gz CCBCPNLOQCSOTD-CABCVRRESA-N 2 0 290.411 1.329 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001691750206 1173875683 /nfs/dbraw/zinc/87/56/83/1173875683.db2.gz LEHFFALKDIYGQY-OAGGEKHMSA-N 2 0 293.455 1.779 10 0 CDAERP C[C@H]([NH2+][C@@H](CO)C1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000579461881 324191065 /nfs/dbraw/zinc/19/10/65/324191065.db2.gz HAUUBHXVGIZSBO-QEJZJMRPSA-N 2 0 254.418 1.905 10 0 CDAERP C[NH2+][C@H]1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000580071991 324359287 /nfs/dbraw/zinc/35/92/87/324359287.db2.gz IXNNSPCCYKNXKV-QWHCGFSZSA-N 2 0 253.390 1.071 10 0 CDAERP C[NH+]1CCC(CCNC(=O)COC2CCC([NH3+])CC2)CC1 ZINC000582724244 325032088 /nfs/dbraw/zinc/03/20/88/325032088.db2.gz HYNQQRHVHNNKOM-UHFFFAOYSA-N 2 0 297.443 1.121 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000583936155 325271283 /nfs/dbraw/zinc/27/12/83/325271283.db2.gz SFMLXZMRKOCMCI-HRCADAONSA-N 2 0 287.407 1.459 10 0 CDAERP CC(C)C[C@@H](C)C[NH+]1CC(NC(=O)CC[NH+](C)C)C1 ZINC001267658727 1159559462 /nfs/dbraw/zinc/55/94/62/1159559462.db2.gz JVTYABKAXQKXFO-CYBMUJFWSA-N 2 0 269.433 1.421 10 0 CDAERP CCC[N@@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001700019502 1176720921 /nfs/dbraw/zinc/72/09/21/1176720921.db2.gz NPAXEUMLVXUZEU-UONOGXRCSA-N 2 0 267.417 1.271 10 0 CDAERP CC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001268486168 1159954542 /nfs/dbraw/zinc/95/45/42/1159954542.db2.gz OEVIKSPROWMKQU-KGLIPLIRSA-N 2 0 267.417 1.461 10 0 CDAERP CCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001268717346 1160007993 /nfs/dbraw/zinc/00/79/93/1160007993.db2.gz WPSWMLWYKJAPHC-STQMWFEESA-N 2 0 255.406 1.365 10 0 CDAERP CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001700475496 1176963261 /nfs/dbraw/zinc/96/32/61/1176963261.db2.gz BKPBMUNZYUAAJM-AVGNSLFASA-N 2 0 255.406 1.173 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CCF ZINC001732707275 1160194614 /nfs/dbraw/zinc/19/46/14/1160194614.db2.gz DMSOWUCKNDMKNC-KGLIPLIRSA-N 2 0 287.423 1.561 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000227433641 482458926 /nfs/dbraw/zinc/45/89/26/482458926.db2.gz RYFXBZHONLCNFF-OLZOCXBDSA-N 2 0 255.406 1.210 10 0 CDAERP C[C@@H](CCNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH+]1CCCCC1 ZINC000897375970 1160460014 /nfs/dbraw/zinc/46/00/14/1160460014.db2.gz JNJWKMBEDVOKGL-RDJZCZTQSA-N 2 0 293.455 1.853 10 0 CDAERP C[C@H]1CCC[C@@](CNC(=O)CC2([NH3+])CC2)([NH+](C)C)C1 ZINC000398065199 482241731 /nfs/dbraw/zinc/24/17/31/482241731.db2.gz HPEBAGVDCVASFE-SWLSCSKDSA-N 2 0 267.417 1.495 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000652291812 482459068 /nfs/dbraw/zinc/45/90/68/482459068.db2.gz IWZQCBTVAVPNCH-IUODEOHRSA-N 2 0 290.411 1.285 10 0 CDAERP C[C@H]([NH2+]CC1CCC(O)CC1)C1CC[NH+](C)CC1 ZINC000227635515 482507393 /nfs/dbraw/zinc/50/73/93/482507393.db2.gz KBBIKXIZUDOYSY-OPFPJEHXSA-N 2 0 254.418 1.857 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)N2CCC(C)([NH3+])CC2)CC1 ZINC000669540714 482625704 /nfs/dbraw/zinc/62/57/04/482625704.db2.gz JAGQLRLDFZTYBL-UHFFFAOYSA-N 2 0 296.459 1.630 10 0 CDAERP O[C@H]1CCC[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000037163960 482673020 /nfs/dbraw/zinc/67/30/20/482673020.db2.gz MNEZCLRECLNFNR-ZBFHGGJFSA-N 2 0 275.396 1.944 10 0 CDAERP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000684377401 482781127 /nfs/dbraw/zinc/78/11/27/482781127.db2.gz LKVXQOMRWZIIGQ-OWCLPIDISA-N 2 0 283.460 1.417 10 0 CDAERP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@H]2CCC[NH+](C)C2)C[C@@H]1C ZINC000677962094 482866771 /nfs/dbraw/zinc/86/67/71/482866771.db2.gz JACMDUNYFXTTTI-IHRRRGAJSA-N 2 0 282.432 1.205 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000669403204 482886789 /nfs/dbraw/zinc/88/67/89/482886789.db2.gz ONJFZHIBTRFZHU-HNNXBMFYSA-N 2 0 288.395 1.183 10 0 CDAERP CN(C(=O)N[C@H]1CCC[N@H+](C)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000669403302 482888623 /nfs/dbraw/zinc/88/86/23/482888623.db2.gz SSCHNTILLTYIMB-WJLOJVBCSA-N 2 0 280.416 1.005 10 0 CDAERP CC(C)[NH2+]CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088164336 482918377 /nfs/dbraw/zinc/91/83/77/482918377.db2.gz JLMVOLCHRVFAFI-YHWZYXNKSA-N 2 0 253.390 1.116 10 0 CDAERP C[C@@H](C(=O)NC1CC([NH+](C)C)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000670445796 482992787 /nfs/dbraw/zinc/99/27/87/482992787.db2.gz RTBOUKRCNROUHD-BFKVFCTQSA-N 2 0 267.417 1.457 10 0 CDAERP C[C@@H](NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1nccn1C ZINC000667253965 483178795 /nfs/dbraw/zinc/17/87/95/483178795.db2.gz MNWMTSKEAIKUKH-OLZOCXBDSA-N 2 0 289.383 1.137 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2NCCc3ccccc32)C1 ZINC000221201611 483311621 /nfs/dbraw/zinc/31/16/21/483311621.db2.gz JKVDWUNFAWMMFY-UKRRQHHQSA-N 2 0 273.380 1.084 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000682731101 483341949 /nfs/dbraw/zinc/34/19/49/483341949.db2.gz ULJNFERWZUOXAP-XJKSGUPXSA-N 2 0 286.379 1.826 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000682731100 483342359 /nfs/dbraw/zinc/34/23/59/483342359.db2.gz ULJNFERWZUOXAP-CZUORRHYSA-N 2 0 286.379 1.826 10 0 CDAERP C[C@H]([NH2+]CC1(O)Cc2ccccc2C1)C1CC[NH+](C)CC1 ZINC000675894985 483378513 /nfs/dbraw/zinc/37/85/13/483378513.db2.gz YVFBXEJTZJIIFY-AWEZNQCLSA-N 2 0 288.435 1.836 10 0 CDAERP C[NH+](C)CCOc1cc(C[NH2+]C2CSC2)ccn1 ZINC000679626190 483397460 /nfs/dbraw/zinc/39/74/60/483397460.db2.gz PYVSQTNZBSHTEN-UHFFFAOYSA-N 2 0 267.398 1.227 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000136384025 483400989 /nfs/dbraw/zinc/40/09/89/483400989.db2.gz NHEJEOSPTBQHMI-CQSZACIVSA-N 2 0 269.433 1.691 10 0 CDAERP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667853428 483461108 /nfs/dbraw/zinc/46/11/08/483461108.db2.gz BHDLDUHXXZVAEC-IRXDYDNUSA-N 2 0 295.471 1.417 10 0 CDAERP c1cc2cnccc2c(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000679989909 483508312 /nfs/dbraw/zinc/50/83/12/483508312.db2.gz UKQUPDNBRUQVQT-GJZGRUSLSA-N 2 0 253.349 1.886 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCc2c[nH]nc2C1 ZINC000680328518 483583010 /nfs/dbraw/zinc/58/30/10/483583010.db2.gz HKQCBULUYZNYFQ-UHFFFAOYSA-N 2 0 294.362 1.857 10 0 CDAERP C[C@H](CC[NH2+]CCC1CC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482890314 1160641078 /nfs/dbraw/zinc/64/10/78/1160641078.db2.gz PDDKHQPNEZHCAA-HIFRSBDPSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]C/C=C/Cl ZINC001483010462 1160665085 /nfs/dbraw/zinc/66/50/85/1160665085.db2.gz LPHZQBPIJFQDQX-NQOOEFMWSA-N 2 0 299.846 1.874 10 0 CDAERP CC(C)[NH+]1CCN(C(=O)C[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000055129252 519679677 /nfs/dbraw/zinc/67/96/77/519679677.db2.gz IBJSNJRPFPBZEF-KGLIPLIRSA-N 2 0 267.417 1.447 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050947852 519715844 /nfs/dbraw/zinc/71/58/44/519715844.db2.gz DEHZIIKYTKGXFM-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP Cc1ccccc1C[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001409628975 1160864014 /nfs/dbraw/zinc/86/40/14/1160864014.db2.gz PAEYPJAJGGFLPH-HNNXBMFYSA-N 2 0 291.439 1.883 10 0 CDAERP C[C@@H](C[NH2+]C/C=C\Cl)NC(=O)CC1CC[NH+](C)CC1 ZINC001483272135 1160888958 /nfs/dbraw/zinc/88/89/58/1160888958.db2.gz LRKUSZYXRCUIJD-RYBZSIHZSA-N 2 0 287.835 1.565 10 0 CDAERP CCC[NH2+]C[C@H](C)CN1CC[NH+](CC(C)C)CC1 ZINC000055083036 519931980 /nfs/dbraw/zinc/93/19/80/519931980.db2.gz LZNBKUXLJUSJDX-HNNXBMFYSA-N 2 0 255.450 1.896 10 0 CDAERP CC(C)[N@H+](C)CCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001707417520 1178032604 /nfs/dbraw/zinc/03/26/04/1178032604.db2.gz HZKOAZSSAWOUCT-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CCCC[N@H+](CC)CCn1cc(C[NH2+]C(C)C)nn1 ZINC000052418779 520477519 /nfs/dbraw/zinc/47/75/19/520477519.db2.gz LXMHHOCXWQDNHJ-UHFFFAOYSA-N 2 0 267.421 1.898 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001483929771 1161241317 /nfs/dbraw/zinc/24/13/17/1161241317.db2.gz OHQUTHHHWALVKI-CABCVRRESA-N 2 0 279.428 1.319 10 0 CDAERP CC[NH+](CC)C[C@H](O)CN[C@@H](C)C[NH+]1CCCCC1 ZINC000049501182 520737434 /nfs/dbraw/zinc/73/74/34/520737434.db2.gz ZFZWATABTDCMGE-LSDHHAIUSA-N 2 0 271.449 1.153 10 0 CDAERP CC[C@H](C[NH2+]C1CC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062973242 522192423 /nfs/dbraw/zinc/19/24/23/522192423.db2.gz ZARNTZKYXXBJKL-CABCVRRESA-N 2 0 251.418 1.687 10 0 CDAERP C[C@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CCCF ZINC001717751647 1180828823 /nfs/dbraw/zinc/82/88/23/1180828823.db2.gz YTNVDVHPNOTHDG-CHWSQXEVSA-N 2 0 273.396 1.124 10 0 CDAERP C[C@@H](C[NH2+]C/C=C\Cl)NC(=O)C1CC[NH+](C)CC1 ZINC001733012001 1183236723 /nfs/dbraw/zinc/23/67/23/1183236723.db2.gz WHBNNPGYTYELHS-UUSYTGMJSA-N 2 0 273.808 1.175 10 0 CDAERP CC(C)(C)[NH+]1CCN(C(=O)[C@@H]2CCC[C@H](C[NH3+])C2)CC1 ZINC000055163068 518710846 /nfs/dbraw/zinc/71/08/46/518710846.db2.gz FRWFMUYPBUCMTA-UONOGXRCSA-N 2 0 281.444 1.694 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)[C@H]1C[C@@H]([NH3+])CC[C@@H]1C ZINC000055131927 519624391 /nfs/dbraw/zinc/62/43/91/519624391.db2.gz BONBFIYHPDROIC-AVGNSLFASA-N 2 0 255.406 1.206 10 0 CDAERP CC(C)CCOCC[NH+]1CCN(C[C@H](C)C[NH3+])CC1 ZINC000049265216 519666138 /nfs/dbraw/zinc/66/61/38/519666138.db2.gz ASBAAQDLLMALRG-OAHLLOKOSA-N 2 0 271.449 1.262 10 0 CDAERP CC(C)[NH+]1CCN(C(=O)C[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000055129256 519679418 /nfs/dbraw/zinc/67/94/18/519679418.db2.gz IBJSNJRPFPBZEF-ZIAGYGMSSA-N 2 0 267.417 1.447 10 0 CDAERP CC(C)[NH2+]CCC[C@@H](C)[NH+]1CCN(c2ncccn2)CC1 ZINC000052418500 519721011 /nfs/dbraw/zinc/72/10/11/519721011.db2.gz GTOSYQIYLUILHP-OAHLLOKOSA-N 2 0 291.443 1.765 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)C[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000055132153 519723530 /nfs/dbraw/zinc/72/35/30/519723530.db2.gz IVLLIEWEEDXXKA-LSDHHAIUSA-N 2 0 281.444 1.694 10 0 CDAERP CC(C)[NH2+]Cc1ccc(N2CCC[C@H]2C[NH+](C)C)nn1 ZINC000061654242 519726627 /nfs/dbraw/zinc/72/66/27/519726627.db2.gz PIRFDRPJWQLFEW-AWEZNQCLSA-N 2 0 277.416 1.505 10 0 CDAERP CC(C)C[NH+]1CCN(Cc2ccccc2C[NH3+])CC1 ZINC000055077618 519727200 /nfs/dbraw/zinc/72/72/00/519727200.db2.gz CDKBXACCBZJGCB-UHFFFAOYSA-N 2 0 261.413 1.919 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H]2CN(C)C)O1 ZINC000061654523 519745411 /nfs/dbraw/zinc/74/54/11/519745411.db2.gz JZUWXZXRJOAIHT-IXDOHACOSA-N 2 0 297.487 1.806 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050951202 519793179 /nfs/dbraw/zinc/79/31/79/519793179.db2.gz UBAKIRJVCRMQRO-UONOGXRCSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000049220808 519793273 /nfs/dbraw/zinc/79/32/73/519793273.db2.gz VEDDBHQUGVWJMP-JKSUJKDBSA-N 2 0 289.423 1.403 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)COc1ccccc1C[NH3+] ZINC000049192228 519814215 /nfs/dbraw/zinc/81/42/15/519814215.db2.gz DWFDNBYOAKCTQP-AWEZNQCLSA-N 2 0 293.411 1.227 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)C[C@@H](C)[NH2+]CC)CC1 ZINC000061273002 519843722 /nfs/dbraw/zinc/84/37/22/519843722.db2.gz QZFVEPKSWQVASD-CYBMUJFWSA-N 2 0 269.433 1.707 10 0 CDAERP CCC[NH+]1CCC(NC(=O)C(C)(C)[NH2+]CC)CC1 ZINC000061298599 519844828 /nfs/dbraw/zinc/84/48/28/519844828.db2.gz BPUDIQVBEKXDLW-UHFFFAOYSA-N 2 0 255.406 1.365 10 0 CDAERP CCC[NH2+]CC1(C[N@@H+]2CCC[C@H](CO)C2)CCOCC1 ZINC000052180485 519911139 /nfs/dbraw/zinc/91/11/39/519911139.db2.gz VJJALAGJFQRJBC-HNNXBMFYSA-N 2 0 284.444 1.487 10 0 CDAERP CC[NH2+]CCC(=O)Nc1cnn(CC[NH+](CC)CC)c1 ZINC000061293878 519918609 /nfs/dbraw/zinc/91/86/09/519918609.db2.gz SQQBYIHIGOGKSJ-UHFFFAOYSA-N 2 0 281.404 1.163 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)Nc1cnn(CC[NH+](CC)CC)c1 ZINC000061235011 519969883 /nfs/dbraw/zinc/96/98/83/519969883.db2.gz PKRPBJJAAQTTKW-ZDUSSCGKSA-N 2 0 295.431 1.409 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000061272912 520064190 /nfs/dbraw/zinc/06/41/90/520064190.db2.gz COVQOAOXQDUXPE-FUDCBSFHSA-N 2 0 267.417 1.364 10 0 CDAERP CC[NH2+][C@H](CN1CC[NH+](CC(C)C)CC1)C1CC1 ZINC000069075040 520198197 /nfs/dbraw/zinc/19/81/97/520198197.db2.gz GMOIGHWZWUBSFK-OAHLLOKOSA-N 2 0 253.434 1.648 10 0 CDAERP CCO[C@H]1CCC[N@H+](Cc2ccoc2C[NH2+]C)C1 ZINC000052372182 520528172 /nfs/dbraw/zinc/52/81/72/520528172.db2.gz DBMYBEPUBFPJFA-ZDUSSCGKSA-N 2 0 252.358 2.000 10 0 CDAERP CC[NH+](CC)Cc1ccccc1NC(=O)[C@H]([NH3+])CCOC ZINC000052792693 520760489 /nfs/dbraw/zinc/76/04/89/520760489.db2.gz SCTPJTVDZLGISR-CQSZACIVSA-N 2 0 293.411 1.831 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(c2ncccc2C(N)=[NH2+])C1 ZINC000062980539 520876802 /nfs/dbraw/zinc/87/68/02/520876802.db2.gz XHFAHRLCRYNFDB-NSHDSACASA-N 2 0 261.373 1.286 10 0 CDAERP CC1CC[NH+](CCNC(=O)[C@H]2CCC[C@H]([NH3+])[C@@H]2C)CC1 ZINC000055136654 521013409 /nfs/dbraw/zinc/01/34/09/521013409.db2.gz IWLQZVLGYIFCOY-ILXRZTDVSA-N 2 0 281.444 1.598 10 0 CDAERP CCC[C@H](C)NC(=O)C[N@H+](CCC[NH3+])C1CCCC1 ZINC000049287605 521046053 /nfs/dbraw/zinc/04/60/53/521046053.db2.gz CYZBTALMVIWYGQ-ZDUSSCGKSA-N 2 0 269.433 1.885 10 0 CDAERP CCOC(=O)[C@@](C)(N)C[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000068632208 521156019 /nfs/dbraw/zinc/15/60/19/521156019.db2.gz VGDDTIWRLIRAPI-CJNGLKHVSA-N 2 0 299.459 1.319 10 0 CDAERP CCC[C@]1(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC[NH2+]C1 ZINC000062896333 521298622 /nfs/dbraw/zinc/29/86/22/521298622.db2.gz ACHBGSFCFXKYKU-WBVHZDCISA-N 2 0 293.455 1.853 10 0 CDAERP CCC(CC)NC(=O)CN1CC[NH+](CCCCC[NH3+])CC1 ZINC000049285447 521575432 /nfs/dbraw/zinc/57/54/32/521575432.db2.gz FSBYOZAXVQKAGD-UHFFFAOYSA-N 2 0 298.475 1.038 10 0 CDAERP CCC(CC)[C@@H](CNC(=O)[C@@H]([NH3+])C(C)C)[NH+]1CCCC1 ZINC000236664350 521604880 /nfs/dbraw/zinc/60/48/80/521604880.db2.gz FDRLPQBXEUQWES-CABCVRRESA-N 2 0 283.460 1.987 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C[NH3+])c2ccccc2)C1 ZINC000061612561 521621092 /nfs/dbraw/zinc/62/10/92/521621092.db2.gz FGGDTQHEBOMESC-CABCVRRESA-N 2 0 275.396 1.329 10 0 CDAERP CCC1(C(=O)NCC2CC[NH+](C)CC2)CC[NH2+]CC1 ZINC000062850064 521665933 /nfs/dbraw/zinc/66/59/33/521665933.db2.gz JYJOQPNEVQEZMH-UHFFFAOYSA-N 2 0 267.417 1.224 10 0 CDAERP CC[NH+]1CCN([C@H](C[NH3+])c2cccc3cccnc32)CC1 ZINC000069502256 521695050 /nfs/dbraw/zinc/69/50/50/521695050.db2.gz ITSYOBORNXPOIK-MRXNPFEDSA-N 2 0 284.407 1.872 10 0 CDAERP C[NH+](C)CCN1CCN([C@H](CC[NH3+])c2ccccc2)CC1 ZINC000061642707 521767347 /nfs/dbraw/zinc/76/73/47/521767347.db2.gz OHYUCNMSBXOFDV-QGZVFWFLSA-N 2 0 290.455 1.256 10 0 CDAERP C[NH+](C)CCN1CCN([C@H](C[NH3+])C2CCCCC2)CC1 ZINC000061643170 521768685 /nfs/dbraw/zinc/76/86/85/521768685.db2.gz OXWKYOXWVZCFEO-MRXNPFEDSA-N 2 0 282.476 1.073 10 0 CDAERP C[NH2+]C(C)(C)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000061316685 521943308 /nfs/dbraw/zinc/94/33/08/521943308.db2.gz ZATUCRNUTGAYHB-UHFFFAOYSA-N 2 0 279.384 1.564 10 0 CDAERP C[NH2+]C[C@@H]1CC[C@H](CN2CC[NH+](C3CCCC3)CC2)O1 ZINC000052573542 522061157 /nfs/dbraw/zinc/06/11/57/522061157.db2.gz AYYHYCAHAGVPPN-JKSUJKDBSA-N 2 0 281.444 1.314 10 0 CDAERP C[NH2+]C[C@H]1CC[C@@H](C[NH+]2CCC(C[NH+](C)C)CC2)O1 ZINC000052515434 522093481 /nfs/dbraw/zinc/09/34/81/522093481.db2.gz ZEADAIHSPPCBAX-CABCVRRESA-N 3 0 269.433 1.027 10 0 CDAERP C[NH2+]C[C@H]1CC[C@H](C[N@@H+]2CCc3ccccc3C2)O1 ZINC000052419161 522095978 /nfs/dbraw/zinc/09/59/78/522095978.db2.gz YCYHFKDZPFHVHD-HZPDHXFCSA-N 2 0 260.381 1.812 10 0 CDAERP C[NH2+]Cc1ccc(OCCN2CCC[C@H]2C[NH+](C)C)cc1 ZINC000061654442 522121625 /nfs/dbraw/zinc/12/16/25/522121625.db2.gz QCLCLKWYHTVDKD-INIZCTEOSA-N 2 0 291.439 1.811 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(Cc2ccccc2C(N)=[NH2+])CC1 ZINC000055067225 522126794 /nfs/dbraw/zinc/12/67/94/522126794.db2.gz BYDYKHDXNQLYFU-CYBMUJFWSA-N 2 0 274.412 1.887 10 0 CDAERP CC[C@@H](C)[NH+]1CCN([C@@H](C)C[NH2+]CCOC)CC1 ZINC000055075179 522129435 /nfs/dbraw/zinc/12/94/35/522129435.db2.gz YGXACCFWLSYAOE-KGLIPLIRSA-N 2 0 257.422 1.027 10 0 CDAERP C[NH2+]Cc1ccoc1CN1CC[NH+](CC(C)C)CC1 ZINC000055082728 522142057 /nfs/dbraw/zinc/14/20/57/522142057.db2.gz QIFZZEAQSWMFOQ-UHFFFAOYSA-N 2 0 265.401 1.773 10 0 CDAERP C[NH2+]Cc1cnc(N2CC[NH+](CC(C)C)CC2)s1 ZINC000055076334 522146476 /nfs/dbraw/zinc/14/64/76/522146476.db2.gz DBXMYIRWJGTHSY-UHFFFAOYSA-N 2 0 268.430 1.641 10 0 CDAERP C[NH2+]Cc1occc1CN1CC[NH+](C(C)(C)C)CC1 ZINC000052571631 522164454 /nfs/dbraw/zinc/16/44/54/522164454.db2.gz BQLYCRYZTZGUBA-UHFFFAOYSA-N 2 0 265.401 1.915 10 0 CDAERP C[NH2+][C@](C)(C[C@@H](C)[N@H+](C)CC1CC[NH+](C)CC1)C(=O)[O-] ZINC000068646448 522518856 /nfs/dbraw/zinc/51/88/56/522518856.db2.gz MWLXJNYCGXYEMM-IUODEOHRSA-N 2 0 285.432 1.101 10 0 CDAERP CC[C@]1(C(=O)NC[C@@H](C(C)C)[NH+](C)C)CCC[NH2+]C1 ZINC000062859166 523538717 /nfs/dbraw/zinc/53/87/17/523538717.db2.gz JVGBQBIXJWTUMM-ZFWWWQNUSA-N 2 0 269.433 1.469 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050951737 523796359 /nfs/dbraw/zinc/79/63/59/523796359.db2.gz SERCBQRFSCXAHF-UONOGXRCSA-N 2 0 267.417 1.509 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)CC[C@@H]2CCCC[NH2+]2)C1 ZINC000050949732 523843004 /nfs/dbraw/zinc/84/30/04/523843004.db2.gz SFOVJCQESCKHEV-STQMWFEESA-N 2 0 253.390 1.119 10 0 CDAERP C[NH+]1CCN(Cc2ccccc2C[NH2+]C2CC2)CC1 ZINC000052379585 523910704 /nfs/dbraw/zinc/91/07/04/523910704.db2.gz YTEZXURGLJPIJZ-UHFFFAOYSA-N 2 0 259.397 1.686 10 0 CDAERP CC[C@H](C)[NH+]1CCN(CCC[C@](C)([NH3+])C(=O)OC)CC1 ZINC000055070207 523953044 /nfs/dbraw/zinc/95/30/44/523953044.db2.gz ICSFALQXUSWMEN-ZFWWWQNUSA-N 2 0 285.432 1.073 10 0 CDAERP CC[C@H](C)[NH+]1CCN(CC[C@@H]2CCCC[NH2+]2)CC1 ZINC000055066812 523954017 /nfs/dbraw/zinc/95/40/17/523954017.db2.gz XREVBAACGVPCJI-GJZGRUSLSA-N 2 0 253.434 1.935 10 0 CDAERP C[C@H](CC[NH2+]C1CC1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515500 524194307 /nfs/dbraw/zinc/19/43/07/524194307.db2.gz FXPRDSUCMVASKO-CYBMUJFWSA-N 3 0 253.434 1.791 10 0 CDAERP C[C@H](CN1CCOCC1)N1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602865 524351194 /nfs/dbraw/zinc/35/11/94/524351194.db2.gz BLMKVIWHDXZXJX-FFHGMXDLSA-N 2 0 267.417 1.051 10 0 CDAERP C[C@H]1CC[C@@H]([NH3+])C[C@@H]1C(=O)NCC1CC[NH+](C)CC1 ZINC000055140204 524362835 /nfs/dbraw/zinc/36/28/35/524362835.db2.gz JXDPWAOPWDGCIM-YUTCNCBUSA-N 2 0 267.417 1.208 10 0 CDAERP C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1[C@@H](CC[NH3+])c1ccccc1 ZINC000055017014 524391618 /nfs/dbraw/zinc/39/16/18/524391618.db2.gz ZVNYJJZPEYGQFZ-QEJZJMRPSA-N 2 0 275.396 1.662 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[C@@H](C)[NH2+]C1)C[NH+]1CCCC1 ZINC000062080827 524449971 /nfs/dbraw/zinc/44/99/71/524449971.db2.gz HIZJGQBYKRYYOQ-MCIONIFRSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@H]([NH3+])[C@H](c1ccsc1)N1CCN(CC[NH+](C)C)CC1 ZINC000061642405 524855736 /nfs/dbraw/zinc/85/57/36/524855736.db2.gz IPPJAZOBYDGLQS-DZGCQCFKSA-N 2 0 296.484 1.316 10 0 CDAERP C[C@@H]1C[C@@H]([NH3+])CC[C@@H]1C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000055134955 525246886 /nfs/dbraw/zinc/24/68/86/525246886.db2.gz XMHKDFDRSYJRMO-SNPRPXQTSA-N 2 0 281.444 1.550 10 0 CDAERP C[C@H](CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000186868488 526245541 /nfs/dbraw/zinc/24/55/41/526245541.db2.gz AXRGYIAXTOEFAH-REWJHTLYSA-N 2 0 267.417 1.126 10 0 CDAERP c1ccc([C@@H]2C[C@H]2[NH2+]CCN2CCC[NH2+]CC2)cc1 ZINC000061275651 526495386 /nfs/dbraw/zinc/49/53/86/526495386.db2.gz DYZHUSDYIUKLIM-JKSUJKDBSA-N 2 0 259.397 1.427 10 0 CDAERP O=C(CC[C@H]1CCCC[NH2+]1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000050946925 526564251 /nfs/dbraw/zinc/56/42/51/526564251.db2.gz IDLRZGDMFGKMER-ZIAGYGMSSA-N 2 0 265.401 1.215 10 0 CDAERP O=C(CC[C@H]1CCCC[NH2+]1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000050951805 526565480 /nfs/dbraw/zinc/56/54/80/526565480.db2.gz XYHCCLJUEYMMNI-OLZOCXBDSA-N 2 0 265.401 1.262 10 0 CDAERP OCCCCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000061804122 527534743 /nfs/dbraw/zinc/53/47/43/527534743.db2.gz HHNKEUIDXUWPNZ-UHFFFAOYSA-N 2 0 254.418 1.957 10 0 CDAERP O=C(NCCC[NH+]1CCCC1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000221754332 527661015 /nfs/dbraw/zinc/66/10/15/527661015.db2.gz KAFDYDFRFXAUNF-ILXRZTDVSA-N 2 0 279.428 1.509 10 0 CDAERP CC(C)[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089455913 535151448 /nfs/dbraw/zinc/15/14/48/535151448.db2.gz QFAYREHMNBMHQB-UKRRQHHQSA-N 2 0 281.444 1.693 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCCCCO)CC1 ZINC000116399808 536358552 /nfs/dbraw/zinc/35/85/52/536358552.db2.gz GFZVCVKSOJZLNQ-INIZCTEOSA-N 2 0 283.460 1.251 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](c1ccco1)N(C)C ZINC000234791334 536850779 /nfs/dbraw/zinc/85/07/79/536850779.db2.gz XBIUZQLKFHGWIW-STQMWFEESA-N 2 0 269.389 1.226 10 0 CDAERP COC[C@H](C)C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000668488894 538434440 /nfs/dbraw/zinc/43/44/40/538434440.db2.gz HAXXOJIYFVXTPP-RHSMWYFYSA-N 2 0 292.423 1.625 10 0 CDAERP CCC[NH+]1CCC([NH2+]C[C@@H]2CN(CC)CCO2)CC1 ZINC000092052433 538511011 /nfs/dbraw/zinc/51/10/11/538511011.db2.gz KJBLNNHERJOFPX-OAHLLOKOSA-N 2 0 269.433 1.171 10 0 CDAERP Cc1ccncc1C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000135436175 538883274 /nfs/dbraw/zinc/88/32/74/538883274.db2.gz TWGGHDKYXJNOFY-UHFFFAOYSA-N 2 0 276.428 1.506 10 0 CDAERP Cc1nn(C)c2sc([C@@H]3[NH2+]C[C@@H](C)C[C@H]3N)cc12 ZINC000757212912 574906759 /nfs/dbraw/zinc/90/67/59/574906759.db2.gz KDUQLAKXLPXIKL-HNBZJPLGSA-N 2 0 264.398 1.941 10 0 CDAERP Cc1cc(=O)[nH]c(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)n1 ZINC000766991147 576152273 /nfs/dbraw/zinc/15/22/73/576152273.db2.gz WYTHTXKWNOHAPS-STQMWFEESA-N 2 0 276.384 1.407 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)CC[NH+]2CCCC2)[C@@H](C)C1 ZINC000760864267 576518661 /nfs/dbraw/zinc/51/86/61/576518661.db2.gz YDHHOSAOVXGGGF-GJZGRUSLSA-N 2 0 253.434 1.744 10 0 CDAERP c1cn(-c2cc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)ccn2)cn1 ZINC000754796239 576916139 /nfs/dbraw/zinc/91/61/39/576916139.db2.gz UCXKUJXXIDSBSB-JKSUJKDBSA-N 2 0 297.406 1.984 10 0 CDAERP C(C[NH+]1CCCC1)N[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925510013 617407363 /nfs/dbraw/zinc/40/73/63/617407363.db2.gz SJSLEZRYENNUKA-HOTGVXAUSA-N 2 0 265.445 1.840 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925554139 617504143 /nfs/dbraw/zinc/50/41/43/617504143.db2.gz YVKFJWNRFUGMLM-XJBGLIRHSA-N 2 0 277.456 1.835 10 0 CDAERP CCC(=O)N1CC[C@H]([NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925560533 617511474 /nfs/dbraw/zinc/51/14/74/617511474.db2.gz MSJYFMVNQOLFLE-AVGNSLFASA-N 2 0 267.417 1.493 10 0 CDAERP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H]1CC[C@@H](CO)CC1)[NH2+]2 ZINC000925606150 617549080 /nfs/dbraw/zinc/54/90/80/617549080.db2.gz HMCRUVXYHNANIE-PEZGRIKUSA-N 2 0 252.402 1.656 10 0 CDAERP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925609315 617553774 /nfs/dbraw/zinc/55/37/74/617553774.db2.gz SHBYJSKXUSLLFV-HZPDHXFCSA-N 3 0 295.471 1.488 10 0 CDAERP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925609316 617553892 /nfs/dbraw/zinc/55/38/92/617553892.db2.gz SHBYJSKXUSLLFV-JKSUJKDBSA-N 3 0 295.471 1.488 10 0 CDAERP CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)O1 ZINC000925627847 617576193 /nfs/dbraw/zinc/57/61/93/617576193.db2.gz AFUAUYHOHGBISA-DGAVXFQQSA-N 2 0 297.443 1.118 10 0 CDAERP CC1(C)[C@H]([NH2+][C@H]2CCC[C@H](CO)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925695621 617716929 /nfs/dbraw/zinc/71/69/29/617716929.db2.gz XIBPFXQWOGBUJS-SBJFKYEJSA-N 2 0 266.429 1.904 10 0 CDAERP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)C(C)(C)n1cncn1 ZINC000925802430 617735581 /nfs/dbraw/zinc/73/55/81/617735581.db2.gz GNHDJGDGJDXVGV-FRRDWIJNSA-N 2 0 265.405 1.237 10 0 CDAERP CO[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)[C@H]1CCOC1 ZINC000925714132 617823337 /nfs/dbraw/zinc/82/33/37/617823337.db2.gz OKSMLQCQMGTXRH-MWDXBVQZSA-N 2 0 296.455 1.796 10 0 CDAERP Cc1cc(CC[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)nn1C ZINC000925836014 617865085 /nfs/dbraw/zinc/86/50/85/617865085.db2.gz ZDOCKGOAYCIMTO-BXUZGUMPSA-N 2 0 250.390 1.249 10 0 CDAERP CC(C)C[C@H](C)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925850915 617886779 /nfs/dbraw/zinc/88/67/79/617886779.db2.gz ABYJIZDKLZPPNI-QWHCGFSZSA-N 2 0 268.401 1.696 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCc2cccc3c2OCCO3)C1 ZINC000925875419 617946114 /nfs/dbraw/zinc/94/61/14/617946114.db2.gz SRFBCAWOOZMCEM-ZIAGYGMSSA-N 2 0 276.380 1.860 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](CO)Cc2ccc(F)cc2)C12CCC2 ZINC000925506010 618178073 /nfs/dbraw/zinc/17/80/73/618178073.db2.gz VMCBCGRRSWNHLM-IMJJTQAJSA-N 2 0 292.398 1.836 10 0 CDAERP CC(C)COC[C@@H](O)C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000923416456 618326744 /nfs/dbraw/zinc/32/67/44/618326744.db2.gz WSTRGIRTJIXWQT-GOEBONIOSA-N 2 0 286.460 1.717 10 0 CDAERP COC[C@@H](O)C[N@@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000923424063 618329246 /nfs/dbraw/zinc/32/92/46/618329246.db2.gz FQCJDXIIUDHFAF-BPUTZDHNSA-N 2 0 284.444 1.613 10 0 CDAERP O[C@H](CN1CCCC[C@@]2(CC[NH2+]C2)C1)CC(F)(F)F ZINC000923427480 618335915 /nfs/dbraw/zinc/33/59/15/618335915.db2.gz JWZZZRPMBPYXLM-RYUDHWBXSA-N 2 0 280.334 1.765 10 0 CDAERP COc1ccccc1[C@@H](O)C[NH2+][C@H](C)CCCC[NH3+] ZINC000817891333 618485487 /nfs/dbraw/zinc/48/54/87/618485487.db2.gz AAXPWEHYMUTLIA-OCCSQVGLSA-N 2 0 266.385 1.836 10 0 CDAERP CC(C)C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C1CCOCC1 ZINC000902763718 625297512 /nfs/dbraw/zinc/29/75/12/625297512.db2.gz XZXOLCBBXTZBRG-DLBZAZTESA-N 2 0 298.471 1.874 10 0 CDAERP COC(=O)[C@@H]1[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1(F)F ZINC000894912785 619139813 /nfs/dbraw/zinc/13/98/13/619139813.db2.gz XQBNYIFQELUCLT-FGLXMSFASA-N 2 0 288.338 1.256 10 0 CDAERP C[C@@H]1C[C@@H]1NC(=[NH2+])NCC[N@@H+]1CCCC(C)(C)C1 ZINC000864465014 620929390 /nfs/dbraw/zinc/92/93/90/620929390.db2.gz NRAHLFWBTNDJSV-NEPJUHHUSA-N 2 0 252.406 1.631 10 0 CDAERP C(CC1CC[NH2+]CC1)CN1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866722994 621579909 /nfs/dbraw/zinc/57/99/09/621579909.db2.gz DRKBGLPGUHACOV-LSDHHAIUSA-N 2 0 251.418 1.593 10 0 CDAERP C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C12CCC2 ZINC000898832077 621891623 /nfs/dbraw/zinc/89/16/23/621891623.db2.gz VYAWJONSGONAMI-HUUCEWRRSA-N 2 0 298.390 1.937 10 0 CDAERP C[C@@H]1CC=CC[C@H]1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000898890550 621928385 /nfs/dbraw/zinc/92/83/85/621928385.db2.gz DARXFPQEPMCQJS-HUUCEWRRSA-N 2 0 296.459 1.476 10 0 CDAERP CC[C@H](CNC(=[NH2+])N[C@@H](C)C1CC1)[NH+]1CCCC1 ZINC000899266026 622130610 /nfs/dbraw/zinc/13/06/10/622130610.db2.gz NSOFEJLMCHDYPC-WCQYABFASA-N 2 0 252.406 1.773 10 0 CDAERP C[C@H](NC(=[NH2+])NCC[N@H+](C)C1CCCC1)C1CC1 ZINC000899267157 622133303 /nfs/dbraw/zinc/13/33/03/622133303.db2.gz JZCZQGSZDFFJMB-NSHDSACASA-N 2 0 252.406 1.773 10 0 CDAERP c1c([C@@H]2CCCC[NH2+]2)nnn1C[C@@H]1CCCC[NH2+]C1 ZINC000899742015 622402049 /nfs/dbraw/zinc/40/20/49/622402049.db2.gz RJFMXVJEIZTYDJ-OLZOCXBDSA-N 2 0 263.389 1.482 10 0 CDAERP c1c(C[C@H]2CCC[NH2+]C2)nnn1C[C@@H]1CCCC[NH2+]C1 ZINC000899742525 622404043 /nfs/dbraw/zinc/40/40/43/622404043.db2.gz ZTCDOXWPOKKKLO-ZIAGYGMSSA-N 2 0 277.416 1.210 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)C12CC[NH+](CC1)C2)C1CCCCC1 ZINC000900198185 622795126 /nfs/dbraw/zinc/79/51/26/622795126.db2.gz UBTOXXKCBMWUQS-OAHLLOKOSA-N 2 0 293.455 1.709 10 0 CDAERP C[C@]1(C2CC[NH+](CC3CC[NH2+]CC3)CC2)COC(=O)N1 ZINC000903416738 625986687 /nfs/dbraw/zinc/98/66/87/625986687.db2.gz ACISPFIHCDLXSP-OAHLLOKOSA-N 2 0 281.400 1.197 10 0 CDAERP CC(C)CNC(=O)C1CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903429541 625989464 /nfs/dbraw/zinc/98/94/64/625989464.db2.gz GEBBEEXSQXZDLC-HIFRSBDPSA-N 2 0 281.444 1.326 10 0 CDAERP CN(Cc1cnn(-c2ccccc2)n1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903430811 625990152 /nfs/dbraw/zinc/99/01/52/625990152.db2.gz COSXPJFTVYFXFF-KGLIPLIRSA-N 2 0 285.395 1.827 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000903454302 626001755 /nfs/dbraw/zinc/00/17/55/626001755.db2.gz ABGIYGIWAOJPHM-MCIONIFRSA-N 2 0 289.427 1.648 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)C1 ZINC000903457230 626002765 /nfs/dbraw/zinc/00/27/65/626002765.db2.gz ORFNDYQKUOLHSI-DGAVXFQQSA-N 2 0 265.401 1.104 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC[C@@H]1C[C@H]1C1CC1)C2 ZINC000903494361 626011313 /nfs/dbraw/zinc/01/13/13/626011313.db2.gz DUHBPBPQRNWGJR-NMNMXBMNSA-N 2 0 292.423 1.635 10 0 CDAERP C[NH2+]C[C@@H]1CCCCN1C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000903529204 626017745 /nfs/dbraw/zinc/01/77/45/626017745.db2.gz OUGOMQDWUXGATM-CVEARBPZSA-N 2 0 291.439 1.811 10 0 CDAERP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000903740054 626078688 /nfs/dbraw/zinc/07/86/88/626078688.db2.gz CCQAPOSBWSAGLC-WCXIOVBPSA-N 3 0 293.455 1.219 10 0 CDAERP CC[N@H+](C[C@H]1CCOC1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903883993 626132200 /nfs/dbraw/zinc/13/22/00/626132200.db2.gz OERGMMIWEMOGTG-FFHGMXDLSA-N 2 0 252.402 1.875 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@@H+](C)[C@H](C)C2CC2)cnn1C ZINC000903884188 626132579 /nfs/dbraw/zinc/13/25/79/626132579.db2.gz UKYFBQUICKCEGJ-DGCLKSJQSA-N 2 0 264.417 1.576 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@H+]2CC[C@H](C)C2)cnn1C ZINC000903886649 626133501 /nfs/dbraw/zinc/13/35/01/626133501.db2.gz SQFOZQLGBGFLDB-WCQYABFASA-N 2 0 250.390 1.188 10 0 CDAERP C[C@H]([C@H](C)[N@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)S(C)(=O)=O ZINC000903892655 626134698 /nfs/dbraw/zinc/13/46/98/626134698.db2.gz KXORFMUEWGUKLS-PJIALRRASA-N 2 0 288.457 1.270 10 0 CDAERP CC[C@H]1CC[N@H+](C[C@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903900146 626137897 /nfs/dbraw/zinc/13/78/97/626137897.db2.gz ZSJJDUWGIPXAJV-KBPBESRZSA-N 2 0 264.417 1.578 10 0 CDAERP c1csc(C[NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)c1 ZINC000903919457 626146554 /nfs/dbraw/zinc/14/65/54/626146554.db2.gz CKNIEARSZCGACB-NSHDSACASA-N 2 0 277.397 1.554 10 0 CDAERP Cn1nccc1C[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000903922986 626148385 /nfs/dbraw/zinc/14/83/85/626148385.db2.gz IVPAVKRJJMOOGY-UHFFFAOYSA-N 2 0 256.353 1.356 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@H]3C[C@H]3C2)cnn1C ZINC000903933205 626152791 /nfs/dbraw/zinc/15/27/91/626152791.db2.gz LYNBWJWXRAGJRY-IPYPFGDCSA-N 2 0 262.401 1.188 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])CN2CCCCC[C@@H]([NH3+])C2)cnn1C ZINC000903935963 626154189 /nfs/dbraw/zinc/15/41/89/626154189.db2.gz WSSXYMWTUOQOSK-GOEBONIOSA-N 2 0 293.459 1.049 10 0 CDAERP CC(C)([NH3+])CN(CC[NH3+])Cc1cccc(Cl)c1 ZINC000903954727 626166473 /nfs/dbraw/zinc/16/64/73/626166473.db2.gz UKWNFRNDIZUFBE-UHFFFAOYSA-N 2 0 255.793 1.838 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1nccn1CC(F)(F)F ZINC000903974454 626169154 /nfs/dbraw/zinc/16/91/54/626169154.db2.gz NIBNNOBCUGERMO-GHMZBOCLSA-N 2 0 290.333 1.781 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[NH2+]C(C)(C)/C=C\Cl)cnn1C ZINC000903988246 626175386 /nfs/dbraw/zinc/17/53/86/626175386.db2.gz PNHKRAUEZUARFB-FJOGCWAESA-N 2 0 284.835 1.967 10 0 CDAERP CC[N@H+](CCNC(=[NH2+])NC[C@H]1CCCS1)C(C)C ZINC000905041951 626381404 /nfs/dbraw/zinc/38/14/04/626381404.db2.gz LWDBNCRQVSFJSF-GFCCVEGCSA-N 2 0 272.462 1.726 10 0 CDAERP CC(C)(C)[NH2+]Cc1cn(-c2ccc(C[NH3+])cc2)nn1 ZINC000905059550 626609251 /nfs/dbraw/zinc/60/92/51/626609251.db2.gz VFSLPTPKADRTPU-UHFFFAOYSA-N 2 0 259.357 1.614 10 0 CDAERP C(=C/[C@H]1CCC[NH2+]C1)\c1nc(CC2CC[NH2+]CC2)no1 ZINC000905307996 626757642 /nfs/dbraw/zinc/75/76/42/626757642.db2.gz DBRPRGYTNFJHRA-ITDFMYJTSA-N 2 0 276.384 1.625 10 0 CDAERP CC(C)[C@H](c1nc(CC2CC[NH2+]CC2)no1)[C@@H](C)[NH3+] ZINC000905309550 626758941 /nfs/dbraw/zinc/75/89/41/626758941.db2.gz YCJLTVJGOLIJCN-MFKMUULPSA-N 2 0 266.389 1.699 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@H]1CC[NH+](C)[C@H]1C ZINC000905647320 626915488 /nfs/dbraw/zinc/91/54/88/626915488.db2.gz DACDPRRFGZPSKY-XQQFMLRXSA-N 2 0 284.473 1.027 10 0 CDAERP C[C@H](NC(=O)[C@@]12CC[N@H+](C1)CCC2)C1=CC[NH+](C)CC1 ZINC000907286069 627593153 /nfs/dbraw/zinc/59/31/53/627593153.db2.gz UZYFHRZCNGGHDH-BBRMVZONSA-N 2 0 277.412 1.239 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H]3C[NH+](C)C[C@H]32)C1 ZINC000908345399 628146132 /nfs/dbraw/zinc/14/61/32/628146132.db2.gz CMOKWWDBWPQLRK-QLFBSQMISA-N 2 0 279.428 1.271 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)c1ccc(C[NH+](C)C)nc1 ZINC000911850104 629589027 /nfs/dbraw/zinc/58/90/27/629589027.db2.gz ZKLSRPSBYDTZCJ-HNNXBMFYSA-N 2 0 292.427 1.459 10 0 CDAERP C[NH+]1CCC(CC(=O)N2CC([NH+]3CCCC3)C2)CC1 ZINC000912324911 629935134 /nfs/dbraw/zinc/93/51/34/629935134.db2.gz KRDKYJHFCPATOC-UHFFFAOYSA-N 2 0 265.401 1.025 10 0 CDAERP CCN(C(=O)CNc1ccccn1)[C@@H]1CC[N@H+](CC)C1 ZINC000912399695 629985595 /nfs/dbraw/zinc/98/55/95/629985595.db2.gz FDEKNFQJLJIHKT-CYBMUJFWSA-N 2 0 276.384 1.436 10 0 CDAERP [NH3+]CCCCCCC[N@@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000842478918 630682824 /nfs/dbraw/zinc/68/28/24/630682824.db2.gz RBDLTNRNTDBFGN-LSDHHAIUSA-N 2 0 281.444 1.886 10 0 CDAERP O=C(NC12CC[NH+](CC1)C2)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000913630487 630720084 /nfs/dbraw/zinc/72/00/84/630720084.db2.gz ADBUHKUIRMSUQS-AWEZNQCLSA-N 2 0 291.439 1.605 10 0 CDAERP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC12CC[NH+](CC1)C2 ZINC000913633074 630725634 /nfs/dbraw/zinc/72/56/34/630725634.db2.gz KXIMUWDWERPSCR-NSHDSACASA-N 2 0 253.390 1.118 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)NC2CC[NH+](C3CC3)CC2)CC[N@@H+]1C ZINC000913981281 630933008 /nfs/dbraw/zinc/93/30/08/630933008.db2.gz JQSLDYCLGMWEME-RISCZKNCSA-N 2 0 280.416 1.005 10 0 CDAERP CN(C)c1cc[nH+]c(CNC(=O)N[C@@H]2CCC[N@H+](C)C2)c1 ZINC000914314481 631333671 /nfs/dbraw/zinc/33/36/71/631333671.db2.gz WBHCVKRMMHSSGE-GFCCVEGCSA-N 2 0 291.399 1.041 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000914412133 631413259 /nfs/dbraw/zinc/41/32/59/631413259.db2.gz RUKKAVSJGFWLJS-AVGNSLFASA-N 2 0 270.421 1.109 10 0 CDAERP C[N@H+](CCNC(=O)NC[C@@H]1CC[NH+]1C)C1CCCCC1 ZINC000915648990 631783540 /nfs/dbraw/zinc/78/35/40/631783540.db2.gz RWXCHHDIQRJICC-AWEZNQCLSA-N 2 0 282.432 1.254 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)N[C@@H]1CC[NH+](C)[C@@H]1C ZINC000918210516 632343845 /nfs/dbraw/zinc/34/38/45/632343845.db2.gz VFLVHMOEEAISLC-CHWSQXEVSA-N 2 0 270.421 1.110 10 0 CDAERP C[C@H](CNC(=O)N[C@H]1CCC[N@H+](C)C1)[NH+]1CCCCC1 ZINC000919654527 632649269 /nfs/dbraw/zinc/64/92/69/632649269.db2.gz NPOJDJLSYBXKSK-KGLIPLIRSA-N 2 0 282.432 1.254 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)CC=C(C)C ZINC001691000543 1158524637 /nfs/dbraw/zinc/52/46/37/1158524637.db2.gz KIOAPSATWNUFRW-OAHLLOKOSA-N 2 0 281.444 1.875 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[C@@H]2[NH3+])C1 ZINC000389586300 1158756832 /nfs/dbraw/zinc/75/68/32/1158756832.db2.gz NBJJSNXIWDBGES-AVGNSLFASA-N 2 0 253.390 1.104 10 0 CDAERP C[C@@H](O)C[NH2+]CCN(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001691409205 1159057783 /nfs/dbraw/zinc/05/77/83/1159057783.db2.gz ZEWWZFQYGIJRDH-CQSZACIVSA-N 2 0 299.459 1.070 10 0 CDAERP CC[C@H](C(=O)N(C)CC[NH2+]Cc1ccccc1F)[NH+](C)C ZINC001266987982 1159069659 /nfs/dbraw/zinc/06/96/59/1159069659.db2.gz BPDNJUJVOOFPRP-OAHLLOKOSA-N 2 0 295.402 1.714 10 0 CDAERP CCOCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001690343197 1175445159 /nfs/dbraw/zinc/44/51/59/1175445159.db2.gz JXACRLHTDBAJMO-QLFBSQMISA-N 2 0 297.443 1.134 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C[NH2+]CCF)C2CC2)CC[N@@H+]1C ZINC001485812449 1161294202 /nfs/dbraw/zinc/29/42/02/1161294202.db2.gz ZBCWKMPOVOABMN-RRFJBIMHSA-N 2 0 299.434 1.513 10 0 CDAERP CC(C)[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001410304269 1161919103 /nfs/dbraw/zinc/91/91/03/1161919103.db2.gz GEGJCFDHNGXJPP-UKRRQHHQSA-N 2 0 281.444 1.563 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NCCCCc1cc[nH+]c(N)c1 ZINC001637967891 1166808161 /nfs/dbraw/zinc/80/81/61/1166808161.db2.gz PKDLNEWCSFLJEL-CYBMUJFWSA-N 2 0 292.427 1.691 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)C1C[NH+](CCC(C)C)C1 ZINC001671183704 1166852727 /nfs/dbraw/zinc/85/27/27/1166852727.db2.gz ZZFADJRZKGUSSX-UHFFFAOYSA-N 2 0 269.433 1.517 10 0 CDAERP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)C[NH2+]CC[C@H](C)F ZINC001568176504 1169161889 /nfs/dbraw/zinc/16/18/89/1169161889.db2.gz WARQJJGPDGJSPB-STQMWFEESA-N 2 0 287.423 1.561 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]CCC1CC1 ZINC001568208803 1169179661 /nfs/dbraw/zinc/17/96/61/1169179661.db2.gz HXIICYNMJKARCH-GXTWGEPZSA-N 2 0 267.417 1.080 10 0 CDAERP CCN(CC[NH2+]CC1CC(C)C1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001568776065 1169471942 /nfs/dbraw/zinc/47/19/42/1169471942.db2.gz VMSGVLIKMNUDSM-QQFBHYJXSA-N 2 0 295.471 1.812 10 0 CDAERP CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001568876852 1169528815 /nfs/dbraw/zinc/52/88/15/1169528815.db2.gz ATJSOXCOKAKNDU-NFAHFFEMSA-N 2 0 281.444 1.779 10 0 CDAERP CC(C)[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001569022524 1169601115 /nfs/dbraw/zinc/60/11/15/1169601115.db2.gz OSTUUFCGMNUFPH-KGLIPLIRSA-N 2 0 269.433 1.752 10 0 CDAERP CCCC[NH2+]CCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001569202960 1169719140 /nfs/dbraw/zinc/71/91/40/1169719140.db2.gz LKYAOUYWHPLICF-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP CC[C@@H](C)C[NH+]1CC(N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001569493897 1169899961 /nfs/dbraw/zinc/89/99/61/1169899961.db2.gz LPIRJIAVQPUTNJ-TZMCWYRMSA-N 2 0 269.433 1.515 10 0 CDAERP CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001571117786 1170336939 /nfs/dbraw/zinc/33/69/39/1170336939.db2.gz IINXHSZSQOUBAS-KKUMJFAQSA-N 2 0 281.444 1.754 10 0 CDAERP CCCC[NH2+][C@@H](C)CN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001571418225 1170420400 /nfs/dbraw/zinc/42/04/00/1170420400.db2.gz SMCYCUZRRMMHLI-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH+](CC2CC2)C2CC2)C1 ZINC001660753339 1172270502 /nfs/dbraw/zinc/27/05/02/1172270502.db2.gz QPXOQKVXKKZATA-CQSZACIVSA-N 2 0 279.428 1.319 10 0 CDAERP CC(C)=CC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001661366104 1172377583 /nfs/dbraw/zinc/37/75/83/1172377583.db2.gz PUWSLKNUUSIXED-GJZGRUSLSA-N 2 0 279.428 1.485 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC001584968303 1172869760 /nfs/dbraw/zinc/86/97/60/1172869760.db2.gz RGMHMJNNWLQHMI-GXTWGEPZSA-N 2 0 267.417 1.127 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@@H]1CC[C@H]2C[C@@H](C)C[N@@H+]2C1 ZINC001586897261 1172964162 /nfs/dbraw/zinc/96/41/62/1172964162.db2.gz AIGWEHJDBYAQGB-OAGGEKHMSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001666902395 1173205354 /nfs/dbraw/zinc/20/53/54/1173205354.db2.gz HVOUBIKHFXKXMP-MGPQQGTHSA-N 2 0 269.433 1.419 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CCCF ZINC001668822319 1173469236 /nfs/dbraw/zinc/46/92/36/1173469236.db2.gz WTNXCUDLZAKCPX-NQHOJNORSA-N 2 0 285.407 1.481 10 0 CDAERP CCCC[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001668821315 1173470297 /nfs/dbraw/zinc/47/02/97/1173470297.db2.gz MWIRQWGYIPPHJO-IDTUSYRASA-N 2 0 281.444 1.921 10 0 CDAERP CC[C@H](F)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001668982470 1173487652 /nfs/dbraw/zinc/48/76/52/1173487652.db2.gz GVYOIZVMNCHUDB-BEVHLOIGSA-N 2 0 285.407 1.481 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CCF)C1 ZINC001672816924 1173801527 /nfs/dbraw/zinc/80/15/27/1173801527.db2.gz ZIHYPCBCRUJPPT-ZIAGYGMSSA-N 2 0 285.407 1.268 10 0 CDAERP CCCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001676668379 1174253225 /nfs/dbraw/zinc/25/32/25/1174253225.db2.gz MJXSIUFIKFEQLO-CHWSQXEVSA-N 2 0 255.406 1.317 10 0 CDAERP CCCC[NH2+][C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001690168712 1175392486 /nfs/dbraw/zinc/39/24/86/1175392486.db2.gz KZJMNPRASVBIQL-ZFWWWQNUSA-N 2 0 281.444 1.613 10 0 CDAERP O=C(N[C@H]1C[C@H]([NH2+]CCCF)C1)C12CCC[NH+](CCC1)C2 ZINC001690280734 1175421313 /nfs/dbraw/zinc/42/13/13/1175421313.db2.gz JSAAKUDSMLIJBQ-HDJSIYSDSA-N 2 0 297.418 1.459 10 0 CDAERP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001690455143 1175473864 /nfs/dbraw/zinc/47/38/64/1175473864.db2.gz QDUUVBAHEOFAEQ-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CC=C(C)C)C1 ZINC001690747797 1175563191 /nfs/dbraw/zinc/56/31/91/1175563191.db2.gz IPTNMCOZELIQRE-HNNXBMFYSA-N 2 0 281.444 1.733 10 0 CDAERP CCOCC[N@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001690827233 1175583498 /nfs/dbraw/zinc/58/34/98/1175583498.db2.gz YLKGXVNSQULFBX-HNNXBMFYSA-N 2 0 299.459 1.286 10 0 CDAERP CCC[NH2+][C@H](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001690843066 1175588313 /nfs/dbraw/zinc/58/83/13/1175588313.db2.gz LPAKWSZJTHJLML-OCCSQVGLSA-N 2 0 267.417 1.223 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CCCF ZINC001690890514 1175601542 /nfs/dbraw/zinc/60/15/42/1175601542.db2.gz VLXYGOXWMSBQMU-HUUCEWRRSA-N 2 0 299.434 1.801 10 0 CDAERP CCCCC[NH2+]C[C@H](C)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001698858909 1175966769 /nfs/dbraw/zinc/96/67/69/1175966769.db2.gz WPFGUNSLJLNJIT-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H](C[NH2+]CC1=CCCCC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001698859264 1175968042 /nfs/dbraw/zinc/96/80/42/1175968042.db2.gz INUYQDHMTMBHHY-ZBFHGGJFSA-N 2 0 293.455 1.875 10 0 CDAERP CC[NH2+]CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001699140583 1176110735 /nfs/dbraw/zinc/11/07/35/1176110735.db2.gz LUCGZPHBSPVVDM-UONOGXRCSA-N 2 0 269.433 1.755 10 0 CDAERP C[C@H](CC[NH2+]CCCF)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001699148594 1176112958 /nfs/dbraw/zinc/11/29/58/1176112958.db2.gz VCGBWOHERSZRLX-CHWSQXEVSA-N 2 0 273.396 1.172 10 0 CDAERP CC(C)[NH2+]C/C=C/CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001699307221 1176212033 /nfs/dbraw/zinc/21/20/33/1176212033.db2.gz DOXHEXSMOLSYHY-BQYQJAHWSA-N 2 0 269.433 1.635 10 0 CDAERP CC[N@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001699474180 1176434337 /nfs/dbraw/zinc/43/43/37/1176434337.db2.gz KHFFHPWBQPOOPL-KBPBESRZSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)(C(=O)N1CCC[C@@H]1C[NH2+]CCCF)[NH+]1CCCC1 ZINC001699756146 1176609722 /nfs/dbraw/zinc/60/97/22/1176609722.db2.gz HOYKZDSCURUTSI-CQSZACIVSA-N 2 0 299.434 1.801 10 0 CDAERP CC[N@H+]1C[C@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@H]2C1 ZINC001699994202 1176708515 /nfs/dbraw/zinc/70/85/15/1176708515.db2.gz MHSCFWLIXGNRKL-IYBDPMFKSA-N 2 0 293.455 1.663 10 0 CDAERP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]C/C=C\Cl ZINC001700415570 1176915185 /nfs/dbraw/zinc/91/51/85/1176915185.db2.gz ABTFAVCBYHOLQI-MGVUPCTHSA-N 2 0 261.797 1.173 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CCCOC ZINC001700486911 1176975270 /nfs/dbraw/zinc/97/52/70/1176975270.db2.gz HHSOHHLVOADDGI-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]CCCF)C1 ZINC001700645907 1177053599 /nfs/dbraw/zinc/05/35/99/1177053599.db2.gz OVTHHCBFAGUCTP-JOCQHMNTSA-N 2 0 273.396 1.171 10 0 CDAERP CC(C)[NH2+]CCC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001700674187 1177069407 /nfs/dbraw/zinc/06/94/07/1177069407.db2.gz QUGRMMYWUFJDAI-CYBMUJFWSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)C[N@H+]1CC=C(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001701061406 1177261698 /nfs/dbraw/zinc/26/16/98/1177261698.db2.gz NRDGNYCOMWSZPL-UHFFFAOYSA-N 2 0 279.428 1.487 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001707090338 1177948751 /nfs/dbraw/zinc/94/87/51/1177948751.db2.gz SKRBBTDXCLJGMV-SHTZXODSSA-N 2 0 293.455 1.757 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)[C@H](C)COC)CC[N@@H+]1C ZINC001712948302 1178261318 /nfs/dbraw/zinc/26/13/18/1178261318.db2.gz WJPAFXGBRUILAU-QLFBSQMISA-N 2 0 299.459 1.190 10 0 CDAERP C[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)CC1CCC1 ZINC001712969159 1178276566 /nfs/dbraw/zinc/27/65/66/1178276566.db2.gz PQQWIAOHGZHIPZ-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP C[NH+](C)Cc1ccc(C(=O)NCCC[N@H+](C)CCF)cc1 ZINC001712978051 1178280458 /nfs/dbraw/zinc/28/04/58/1178280458.db2.gz RRIHTJUUSYVMOT-UHFFFAOYSA-N 2 0 295.402 1.769 10 0 CDAERP CCCC[N@H+](CC)CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001713013367 1178303204 /nfs/dbraw/zinc/30/32/04/1178303204.db2.gz UZMPNKUFKHGPPC-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001713344906 1178512703 /nfs/dbraw/zinc/51/27/03/1178512703.db2.gz ZJEXRANDVJBJIU-ZIAGYGMSSA-N 2 0 299.434 1.657 10 0 CDAERP C[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]([NH2+]CCCF)C2)CC1 ZINC001713379442 1178528684 /nfs/dbraw/zinc/52/86/84/1178528684.db2.gz RKXVEBMGGQZPKA-LSDHHAIUSA-N 2 0 299.434 1.705 10 0 CDAERP C[N@H+](CCCCCF)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001713457674 1178577359 /nfs/dbraw/zinc/57/73/59/1178577359.db2.gz JSIRSQWVJFYLFZ-CQSZACIVSA-N 2 0 287.423 1.659 10 0 CDAERP CCCC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001713520235 1178620911 /nfs/dbraw/zinc/62/09/11/1178620911.db2.gz QJKRHBUQHFTQKM-AWEZNQCLSA-N 2 0 269.433 1.707 10 0 CDAERP CC/C=C\CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001713777004 1178748326 /nfs/dbraw/zinc/74/83/26/1178748326.db2.gz JDUQUKLZNVJNEZ-MSNYOWOLSA-N 2 0 293.455 1.875 10 0 CDAERP COCC[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001713967407 1178897688 /nfs/dbraw/zinc/89/76/88/1178897688.db2.gz WMIPCUDXVGWRJX-SHTZXODSSA-N 2 0 297.443 1.136 10 0 CDAERP CCN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](CCCOC)C1 ZINC001714054521 1178950338 /nfs/dbraw/zinc/95/03/38/1178950338.db2.gz WNBSBYIPUSJVHB-HNNXBMFYSA-N 2 0 297.443 1.042 10 0 CDAERP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001714110809 1178977827 /nfs/dbraw/zinc/97/78/27/1178977827.db2.gz LTTUHBJWFCENIE-CQSZACIVSA-N 2 0 269.433 1.565 10 0 CDAERP CC[NH2+]CC1(NC(=O)C[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001714148302 1178990973 /nfs/dbraw/zinc/99/09/73/1178990973.db2.gz JOSZGTROHCNBGM-ZDUSSCGKSA-N 2 0 267.417 1.367 10 0 CDAERP CCCC[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001714372110 1179109723 /nfs/dbraw/zinc/10/97/23/1179109723.db2.gz ISLATYPUWURNTO-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP COCC[NH2+][C@@H](C)C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001714812825 1179406891 /nfs/dbraw/zinc/40/68/91/1179406891.db2.gz MCCZUMATCBBSDD-AWEZNQCLSA-N 2 0 299.459 1.190 10 0 CDAERP CC/C=C\CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001714922981 1179454102 /nfs/dbraw/zinc/45/41/02/1179454102.db2.gz OQTHZUDSRMKPNW-XETQRACLSA-N 2 0 293.455 1.875 10 0 CDAERP CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001715142398 1179563679 /nfs/dbraw/zinc/56/36/79/1179563679.db2.gz CCMAIQFLKNCTRC-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP COCCC[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001715351097 1179638248 /nfs/dbraw/zinc/63/82/48/1179638248.db2.gz DDNXUKRGUWNTFF-CQSZACIVSA-N 2 0 299.459 1.334 10 0 CDAERP CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001715405009 1179658014 /nfs/dbraw/zinc/65/80/14/1179658014.db2.gz VEFUTBJSBYNJLY-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2CC[NH2+]CC2CC2)C1 ZINC001715448132 1179668883 /nfs/dbraw/zinc/66/88/83/1179668883.db2.gz JJWUQVIPRKERIM-JKSUJKDBSA-N 2 0 293.455 1.709 10 0 CDAERP CCC[NH2+][C@H](CNC(=O)C[N@H+](C)C(C)C)C(C)C ZINC001715502982 1179686428 /nfs/dbraw/zinc/68/64/28/1179686428.db2.gz CDAAPGLYWJKOCQ-CYBMUJFWSA-N 2 0 257.422 1.467 10 0 CDAERP CO[C@H](C)C[NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001715854955 1179870302 /nfs/dbraw/zinc/87/03/02/1179870302.db2.gz SKIVWNOAWQDKCE-VBROQKIQSA-N 2 0 297.443 1.158 10 0 CDAERP CC[NH2+]C/C=C\CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001715856743 1179872992 /nfs/dbraw/zinc/87/29/92/1179872992.db2.gz XCGLKETUKZXBOT-HJWRWDBZSA-N 2 0 281.444 1.780 10 0 CDAERP CC(C)CCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001715921015 1179915474 /nfs/dbraw/zinc/91/54/74/1179915474.db2.gz GMXVDNPDVDMCAX-KGLIPLIRSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001715955336 1179940931 /nfs/dbraw/zinc/94/09/31/1179940931.db2.gz SVNJWCXXUUDXEJ-KGLIPLIRSA-N 2 0 267.417 1.389 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C[NH2+]CC[C@@H](C)F)[NH+](C)C ZINC001715981323 1179962098 /nfs/dbraw/zinc/96/20/98/1179962098.db2.gz USOYLUUXBFFDJS-GRYCIOLGSA-N 2 0 261.385 1.169 10 0 CDAERP CCCC[NH2+]C/C=C\CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001716295300 1180146486 /nfs/dbraw/zinc/14/64/86/1180146486.db2.gz MYEMPDLXHVALMG-FOSCPCJNSA-N 2 0 279.428 1.390 10 0 CDAERP CC(C)OCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001716410226 1180191920 /nfs/dbraw/zinc/19/19/20/1180191920.db2.gz NOCLJTAMABPNTK-ILXRZTDVSA-N 2 0 299.459 1.236 10 0 CDAERP CC(C)[NH2+]CCCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001716573239 1180289644 /nfs/dbraw/zinc/28/96/44/1180289644.db2.gz WHVZPNSJLOBIPL-CABCVRRESA-N 2 0 281.444 1.850 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](CC[NH2+]CC3CC3)C2)C1 ZINC001717098818 1180530556 /nfs/dbraw/zinc/53/05/56/1180530556.db2.gz IUGGDOOVUZWSDB-HOCLYGCPSA-N 2 0 293.455 1.566 10 0 CDAERP C[C@H](F)CC[NH2+]CC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001717096028 1180530811 /nfs/dbraw/zinc/53/08/11/1180530811.db2.gz BOGFHWKCPFNTFV-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001723554035 1181586442 /nfs/dbraw/zinc/58/64/42/1181586442.db2.gz LLLYHECPSWOJDF-UHFFFAOYSA-N 2 0 267.417 1.367 10 0 CDAERP CC(C)OCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001724543908 1181692725 /nfs/dbraw/zinc/69/27/25/1181692725.db2.gz HRYKRHWFLHKQFC-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001724654075 1181717354 /nfs/dbraw/zinc/71/73/54/1181717354.db2.gz IXZLTINYKCFFHX-KBPBESRZSA-N 2 0 267.417 1.413 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CCF)C1 ZINC001724711210 1181732151 /nfs/dbraw/zinc/73/21/51/1181732151.db2.gz FJIFRYBGYSQMGO-GJZGRUSLSA-N 2 0 299.434 1.659 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]CCF)C(C)(C)C ZINC001725743455 1182118868 /nfs/dbraw/zinc/11/88/68/1182118868.db2.gz CMOWAGPXGCABCP-CHWSQXEVSA-N 2 0 287.423 1.561 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]CC2CC2)CC[N@@H+]1C ZINC001731594414 1182469456 /nfs/dbraw/zinc/46/94/56/1182469456.db2.gz NTYZVDYZCRQABA-FPMFFAJLSA-N 2 0 267.417 1.221 10 0 CDAERP CC[N@@H+](CC=C(C)C)CCNC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001731812217 1182599762 /nfs/dbraw/zinc/59/97/62/1182599762.db2.gz UXHGXCVGFFEEIL-AWEZNQCLSA-N 2 0 292.427 1.993 10 0 CDAERP CCC[NH2+]C[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001732357871 1182924614 /nfs/dbraw/zinc/92/46/14/1182924614.db2.gz DPGHJMZOSSNYOG-LBPRGKRZSA-N 2 0 255.406 1.080 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCCC1 ZINC001732388316 1182942128 /nfs/dbraw/zinc/94/21/28/1182942128.db2.gz HODBLFQBQUQTAK-AWEZNQCLSA-N 2 0 281.444 1.899 10 0 CDAERP CC(C)OCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001732420462 1182957079 /nfs/dbraw/zinc/95/70/79/1182957079.db2.gz KERAJQLWXTYVME-RRFJBIMHSA-N 2 0 299.459 1.188 10 0 CDAERP CC[NH2+]CC[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001732507650 1182991861 /nfs/dbraw/zinc/99/18/61/1182991861.db2.gz JCMLNURCZXXDKB-OAHLLOKOSA-N 2 0 281.444 1.851 10 0 CDAERP C[N@H+](CC(=O)N1CCCC[C@H]1CC[NH2+]CCF)C1CCC1 ZINC001732506399 1182991942 /nfs/dbraw/zinc/99/19/42/1182991942.db2.gz APULRSXOHICTOK-HNNXBMFYSA-N 2 0 299.434 1.801 10 0 CDAERP COCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001732524586 1182996114 /nfs/dbraw/zinc/99/61/14/1182996114.db2.gz NSOWWXGUGVUPES-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP CCN(CC[NH2+]CCF)C(=O)C[NH+]1CCC(C)CC1 ZINC001732803234 1183130839 /nfs/dbraw/zinc/13/08/39/1183130839.db2.gz MRIQOJMOWDYYHO-UHFFFAOYSA-N 2 0 273.396 1.126 10 0 CDAERP C[NH+](C)CCC(=O)NC/C=C/C[NH2+]CC1CCCCC1 ZINC001732895838 1183175737 /nfs/dbraw/zinc/17/57/37/1183175737.db2.gz VLUOZOWZEOYJSM-VOTSOKGWSA-N 2 0 281.444 1.780 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001733024244 1183243444 /nfs/dbraw/zinc/24/34/44/1183243444.db2.gz LTWSFGIHQARUKZ-GJZGRUSLSA-N 2 0 297.443 1.015 10 0 CDAERP CC(C)C[NH2+]CCCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001733106019 1183293087 /nfs/dbraw/zinc/29/30/87/1183293087.db2.gz BHMNFUNMUQBNOG-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001733538324 1183458675 /nfs/dbraw/zinc/45/86/75/1183458675.db2.gz YLOLTJDUQRMXIK-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP O=C(C[NH+]1CCCC1)NC1CC(C[NH2+]C/C=C\Cl)C1 ZINC001733957564 1183584806 /nfs/dbraw/zinc/58/48/06/1183584806.db2.gz BAXDJMAJXUWSLM-ARJAWSKDSA-N 2 0 285.819 1.319 10 0 CDAERP CC(C)C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001734219673 1183694937 /nfs/dbraw/zinc/69/49/37/1183694937.db2.gz IQESHMPVWKIIPT-HDJSIYSDSA-N 2 0 269.433 1.467 10 0 CDAERP CC[NH2+][C@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001734286094 1183712722 /nfs/dbraw/zinc/71/27/22/1183712722.db2.gz KGLKWIBXLUFPRF-MGPQQGTHSA-N 2 0 269.433 1.467 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCCC[C@H]1[NH3+])[N@H+](C)C1CC1 ZINC000300407823 1186371339 /nfs/dbraw/zinc/37/13/39/1186371339.db2.gz WCNBDDZTZIUJSE-KGYLQXTDSA-N 2 0 253.390 1.103 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](CNC(=[NH2+])N[C@H]2C[C@H]2C)C1 ZINC000864455666 1164545856 /nfs/dbraw/zinc/54/58/56/1164545856.db2.gz ACBPNRCPXKEMHN-UPJWGTAASA-N 2 0 252.406 1.629 10 0 CDAERP C[C@@H]1C[C@@H]1NC(=[NH2+])NCc1ccccc1OCC[NH+](C)C ZINC000864457840 1164546183 /nfs/dbraw/zinc/54/61/83/1164546183.db2.gz VBISEQDUWYTBEO-OCCSQVGLSA-N 2 0 290.411 1.649 10 0 CDAERP C[NH+](C)CCC[C@@H]1CN(C[C@H](O)c2ccccc2)CCO1 ZINC000852761315 782237474 /nfs/dbraw/zinc/23/74/74/782237474.db2.gz UOVNUIJIYKAMFI-SJORKVTESA-N 2 0 292.423 1.763 10 0 CDAERP C[C@@H]([NH2+]C1CC1)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712607476 782255260 /nfs/dbraw/zinc/25/52/60/782255260.db2.gz ITOOTOBOKLWFTA-LLVKDONJSA-N 2 0 253.390 1.070 10 0 CDAERP CN1CCC[C@H]([NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)C1=O ZINC000925530975 782280201 /nfs/dbraw/zinc/28/02/01/782280201.db2.gz NIVRRZGKWXUGSP-SRVKXCTJSA-N 2 0 253.390 1.103 10 0 CDAERP [NH3+]CCCCCC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000852859819 782301563 /nfs/dbraw/zinc/30/15/63/782301563.db2.gz BHKUHGXLVXNZMD-OAHLLOKOSA-N 2 0 291.395 1.805 10 0 CDAERP FCC1(CF)CC([NH2+]C[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000850433647 782444989 /nfs/dbraw/zinc/44/49/89/782444989.db2.gz PKUWOSVXGPTFJZ-QWHCGFSZSA-N 2 0 274.355 1.527 10 0 CDAERP CCOCC[C@@H](O)C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000923413739 782499611 /nfs/dbraw/zinc/49/96/11/782499611.db2.gz HPKISDCFSKVTMR-UKRRQHHQSA-N 2 0 272.433 1.471 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CC(=O)NCC(F)(F)F)C1 ZINC000925594211 782509106 /nfs/dbraw/zinc/50/91/06/782509106.db2.gz PRVCFXNUIOPQAH-IUCAKERBSA-N 2 0 281.322 1.161 10 0 CDAERP C[C@H]1[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC[N@@H+]1C ZINC000928430924 782512164 /nfs/dbraw/zinc/51/21/64/782512164.db2.gz ACYBNHUTLXOQQC-BBRMVZONSA-N 2 0 289.423 1.613 10 0 CDAERP CC[C@@H](C[NH+](C)C)OC(=O)c1ccc2c[nH+]cn2c1 ZINC000870552269 1165188485 /nfs/dbraw/zinc/18/84/85/1165188485.db2.gz FHWAMIIBCKRVKA-ZDUSSCGKSA-N 2 0 261.325 1.831 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870925541 1165233116 /nfs/dbraw/zinc/23/31/16/1165233116.db2.gz NLMSGXNZWPROQU-XFMPKHEZSA-N 2 0 267.417 1.350 10 0 CDAERP CC1(C)[C@@H]([NH3+])C[C@@H]1c1nc(C2([NH3+])CCCC2)no1 ZINC000871787532 1165346130 /nfs/dbraw/zinc/34/61/30/1165346130.db2.gz ZXBCTYTVDSJKCF-BDAKNGLRSA-N 2 0 250.346 1.638 10 0 CDAERP CO[C@H]1C[C@@H](C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)C1 ZINC000872143546 1165384401 /nfs/dbraw/zinc/38/44/01/1165384401.db2.gz SEMWAPNUFHGNGY-BEAPCOKYSA-N 2 0 268.401 1.240 10 0 CDAERP C[C@H]1C[C@@H](C[N@@H+]2CCN(C)c3ncccc3C2)CC[NH2+]1 ZINC000872257300 1165404663 /nfs/dbraw/zinc/40/46/63/1165404663.db2.gz DTERZQXIUNHKAN-KBPBESRZSA-N 2 0 274.412 1.722 10 0 CDAERP C[C@@H](CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)[N@@H+]1CCCC[C@@H]1C ZINC000872274916 1165407805 /nfs/dbraw/zinc/40/78/05/1165407805.db2.gz DWHQPXVWUMSTPV-HAFSJTIUSA-N 2 0 279.428 1.493 10 0 CDAERP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000872276651 1165408151 /nfs/dbraw/zinc/40/81/51/1165408151.db2.gz RZCWUKLGXCMTEW-TUCADOHPSA-N 2 0 279.428 1.293 10 0 CDAERP C(COC1CCOCC1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000925878590 780649025 /nfs/dbraw/zinc/64/90/25/780649025.db2.gz XKLASGDQZCWWJQ-BFHYXJOUSA-N 2 0 268.401 1.160 10 0 CDAERP C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cn1)C1=CC[N@H+](C)CC1 ZINC000819220912 780682694 /nfs/dbraw/zinc/68/26/94/780682694.db2.gz TYNDXTWVKZKQGJ-IAQYHMDHSA-N 2 0 279.359 1.494 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000925815838 782578159 /nfs/dbraw/zinc/57/81/59/782578159.db2.gz AONREFOITLYSCE-BRWVUGGUSA-N 2 0 294.487 1.310 10 0 CDAERP c1cc(N2CC[NH+](C[C@@H]3C[C@H]4COC[C@H]4O3)CC2)cc[nH+]1 ZINC000929834842 782667307 /nfs/dbraw/zinc/66/73/07/782667307.db2.gz LMPTXVMGAUDPHZ-CWRNSKLLSA-N 2 0 289.379 1.008 10 0 CDAERP C[NH2+]C[C@H](C)c1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000843227093 782723494 /nfs/dbraw/zinc/72/34/94/782723494.db2.gz RZEVHBIECYDZLK-VIFPVBQESA-N 2 0 257.297 1.707 10 0 CDAERP [NH3+]CCCCCC(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000843498468 782730509 /nfs/dbraw/zinc/73/05/09/782730509.db2.gz OZFHMIAOVLAZLJ-KBPBESRZSA-N 2 0 267.417 1.496 10 0 CDAERP CC(C)CCC[C@@H](C)NC(=O)CN1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000723836465 782777529 /nfs/dbraw/zinc/77/75/29/782777529.db2.gz MUKXDVJFYRYYAZ-RBSFLKMASA-N 2 0 283.460 1.844 10 0 CDAERP C[C@H]1C[N@H+](CC(=O)Nc2ccc(Cl)cn2)CC[C@H]1C[NH3+] ZINC000923498342 782793293 /nfs/dbraw/zinc/79/32/93/782793293.db2.gz OFYDSKIKEXXKNQ-QWRGUYRKSA-N 2 0 296.802 1.590 10 0 CDAERP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@H](O)C2CC2)C1 ZINC000818959667 782822645 /nfs/dbraw/zinc/82/26/45/782822645.db2.gz QFDRXLBTFCONKC-ZFWWWQNUSA-N 2 0 254.418 1.859 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)CC[C@H]2CC[NH2+]C2)C1 ZINC000870992008 782843723 /nfs/dbraw/zinc/84/37/23/782843723.db2.gz HMXWLYHHXNCBDT-BBRMVZONSA-N 2 0 281.444 1.600 10 0 CDAERP c1ccc2c(c1)CC[C@@]21CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923420362 782852762 /nfs/dbraw/zinc/85/27/62/782852762.db2.gz JYMIWRXTNIQNHK-LPHOPBHVSA-N 2 0 298.430 1.955 10 0 CDAERP Cc1cc([C@H]([NH3+])CC(=O)N2CCC[NH2+]CC2)cc(Cl)n1 ZINC000832255815 782930015 /nfs/dbraw/zinc/93/00/15/782930015.db2.gz OOWCCSPQHKOKCK-GFCCVEGCSA-N 2 0 296.802 1.255 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)C1 ZINC000870892206 782942057 /nfs/dbraw/zinc/94/20/57/782942057.db2.gz QHZYQJBDWFTQHM-JJRVBVJISA-N 2 0 291.439 1.591 10 0 CDAERP Cc1ccc(NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)c(N(C)C)n1 ZINC000841154584 782951750 /nfs/dbraw/zinc/95/17/50/782951750.db2.gz JJEPGERBWVKXLZ-GXFFZTMASA-N 2 0 291.399 1.576 10 0 CDAERP C1CC1[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)CCO1 ZINC000925639045 782993064 /nfs/dbraw/zinc/99/30/64/782993064.db2.gz JIQKAXDJOVMASA-RDBSUJKOSA-N 2 0 250.386 1.818 10 0 CDAERP C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923503122 783012729 /nfs/dbraw/zinc/01/27/29/783012729.db2.gz GTCGMKAQXSZIIF-KKUMJFAQSA-N 2 0 281.444 1.550 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000925803140 783031745 /nfs/dbraw/zinc/03/17/45/783031745.db2.gz MLECVDKKESBLPC-CZPYZCIJSA-N 3 0 259.397 1.966 10 0 CDAERP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000925215801 783052140 /nfs/dbraw/zinc/05/21/40/783052140.db2.gz PFODKCQRYITDGJ-FOLVSLTJSA-N 2 0 283.460 1.273 10 0 CDAERP CSc1ccccc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000923459144 783056720 /nfs/dbraw/zinc/05/67/20/783056720.db2.gz ARNGBPKRGOOVMC-UHFFFAOYSA-N 2 0 265.426 1.403 10 0 CDAERP CC[C@@H]1COC[C@@H]1[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000925954634 783059372 /nfs/dbraw/zinc/05/93/72/783059372.db2.gz OKUQQCZPUXJRSM-ILXRZTDVSA-N 2 0 299.459 1.094 10 0 CDAERP C[C@@H]1CCC[N@H+](CCCCNC(=[NH2+])N2CCO[C@H](C)C2)C1 ZINC000848989901 783129797 /nfs/dbraw/zinc/12/97/97/783129797.db2.gz KFBYVLPALCIKMQ-HUUCEWRRSA-N 2 0 296.459 1.744 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCNc2cnccn2)C1 ZINC000925554499 783137852 /nfs/dbraw/zinc/13/78/52/783137852.db2.gz BCKBHRQQHOQDQH-RYUDHWBXSA-N 2 0 263.389 1.384 10 0 CDAERP C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCS(=O)(=O)C1 ZINC000249953231 783195926 /nfs/dbraw/zinc/19/59/26/783195926.db2.gz ASCBCYKKGNVQGT-GSPSYOTPSA-N 2 0 286.441 1.026 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N(C)CCCC[NH+](C)C)CC[N@@H+]1C ZINC001628539332 1166080355 /nfs/dbraw/zinc/08/03/55/1166080355.db2.gz WCYIVJNTZQPMKC-KBPBESRZSA-N 2 0 269.433 1.517 10 0 CDAERP COCCC[NH+]1CCC([NH2+][C@@H]2CO[C@@H](C)[C@@H]2C)CC1 ZINC000924911299 780212845 /nfs/dbraw/zinc/21/28/45/780212845.db2.gz FMBBTKUQIIGNRQ-KCQAQPDRSA-N 2 0 270.417 1.500 10 0 CDAERP C[NH+]1CCC2(CCC[N@H+](C[C@@H]3C[C@H]4COC[C@@H]4O3)C2)CC1 ZINC000930309988 780345550 /nfs/dbraw/zinc/34/55/50/780345550.db2.gz PTRCWOWDUJMDKI-JYJNAYRXSA-N 2 0 294.439 1.598 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC=C(C(=O)OC)C2)[C@@H](C)C1 ZINC000858474387 780346046 /nfs/dbraw/zinc/34/60/46/780346046.db2.gz AVOJDJJDDUIRTJ-YUTCNCBUSA-N 2 0 266.385 1.568 10 0 CDAERP CCOCCOCCN1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000931545180 780348475 /nfs/dbraw/zinc/34/84/75/780348475.db2.gz BHDWCPIDZAHBJL-UONOGXRCSA-N 2 0 256.390 1.066 10 0 CDAERP COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000227748419 780377661 /nfs/dbraw/zinc/37/76/61/780377661.db2.gz JNPJSVGMVOAZAU-STQMWFEESA-N 2 0 291.395 1.550 10 0 CDAERP CC[C@@H]1C[C@H]([NH2+]C2CCN(C[C@H]3CCCO3)CC2)CO1 ZINC000850135998 780513165 /nfs/dbraw/zinc/51/31/65/780513165.db2.gz SVQURMBWTSLCOX-ARFHVFGLSA-N 2 0 282.428 1.787 10 0 CDAERP C[NH+](C)C1(CNC(=[NH2+])NCCC2CC2)CCOCC1 ZINC000864458809 780532700 /nfs/dbraw/zinc/53/27/00/780532700.db2.gz SVIJPZZFXLQIDN-UHFFFAOYSA-N 2 0 268.405 1.011 10 0 CDAERP CCC[C@H](C(=O)OCC)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923449761 780803428 /nfs/dbraw/zinc/80/34/28/780803428.db2.gz BXMDDMYGWAVPBZ-ZIAGYGMSSA-N 2 0 298.427 1.548 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CCCCC[NH3+] ZINC000092629645 780808466 /nfs/dbraw/zinc/80/84/66/780808466.db2.gz SPABWOTWDCVVPL-ZDUSSCGKSA-N 2 0 255.406 1.448 10 0 CDAERP C[C@@H]1SCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)[C@H]1C ZINC000923314723 780815908 /nfs/dbraw/zinc/81/59/08/780815908.db2.gz CSRPQWOVPPOYIB-SDDRHHMPSA-N 2 0 256.415 1.191 10 0 CDAERP O=C1O[C@@H](CN2CC[C@@H](C[NH+]3CCCC3)C2)CN1C1CC1 ZINC000844297521 780832689 /nfs/dbraw/zinc/83/26/89/780832689.db2.gz BYOSLDHWQLMRON-ZFWWWQNUSA-N 2 0 293.411 1.387 10 0 CDAERP C[NH+]1CCC(CNC(=O)[C@]23C[NH2+]C[C@H]2CCCC3)CC1 ZINC000715369800 780845134 /nfs/dbraw/zinc/84/51/34/780845134.db2.gz RJNNQKYKQPUDGB-GDBMZVCRSA-N 2 0 279.428 1.224 10 0 CDAERP OC[C@@H]1CCC[C@H]([NH2+][C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925691083 780849833 /nfs/dbraw/zinc/84/98/33/780849833.db2.gz LPJPAYPEXMUHFY-RDBSUJKOSA-N 2 0 252.402 1.802 10 0 CDAERP CC1(C)[C@@H]([NH2+]CCC2CC[NH2+]CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925702015 780876921 /nfs/dbraw/zinc/87/69/21/780876921.db2.gz JHBOGHPBIWTPPQ-ILXRZTDVSA-N 3 0 265.445 1.742 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)[C@@H]2CCC[C@H]21 ZINC000866445213 781048228 /nfs/dbraw/zinc/04/82/28/781048228.db2.gz IJUIUNJBOGLRDE-ZSJMCZNZSA-N 2 0 276.424 1.872 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@@H]([NH3+])CC2CC2)CC1 ZINC000715180819 781063108 /nfs/dbraw/zinc/06/31/08/781063108.db2.gz NUPBFBYCMIAPRF-ZDUSSCGKSA-N 2 0 267.417 1.447 10 0 CDAERP O[C@H](C[NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(F)cn1 ZINC000819267954 781091471 /nfs/dbraw/zinc/09/14/71/781091471.db2.gz OMWXGOPVHUCJAM-MRXNPFEDSA-N 2 0 293.386 1.718 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+]CC[C@H](N(C)C)C(F)(F)F ZINC000925836422 781294471 /nfs/dbraw/zinc/29/44/71/781294471.db2.gz KLBNRTBQMXPVNT-MNOVXSKESA-N 2 0 269.355 1.976 10 0 CDAERP C[NH+](C)CC[C@@H](N[C@@H]1CC[NH2+]C12CCC2)c1cccnc1 ZINC000925825961 781316537 /nfs/dbraw/zinc/31/65/37/781316537.db2.gz DCNDNHKIVVUONM-HZPDHXFCSA-N 2 0 288.439 1.949 10 0 CDAERP C[NH+](C)CCCC1CC[NH+](C[C@@H]2C[C@H]3COC[C@H]3O2)CC1 ZINC000930146900 781320882 /nfs/dbraw/zinc/32/08/82/781320882.db2.gz MHSCUYXYIAOHHT-YESZJQIVSA-N 2 0 296.455 1.844 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1COC2(CCCC2)O1 ZINC000817918431 781338057 /nfs/dbraw/zinc/33/80/57/781338057.db2.gz JKPWBKSDPBKGSA-STQMWFEESA-N 2 0 272.389 1.016 10 0 CDAERP c1cc(C[NH2+]CCO[C@H]2CCOC2)n(-c2cc[nH+]cc2)n1 ZINC000922936581 781347861 /nfs/dbraw/zinc/34/78/61/781347861.db2.gz KJNJUWWBBZFKDM-HNNXBMFYSA-N 2 0 288.351 1.162 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC001629095241 1166114630 /nfs/dbraw/zinc/11/46/30/1166114630.db2.gz CLXXOUFELXBQJP-QWHCGFSZSA-N 2 0 255.406 1.127 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ncoc1CN ZINC000721458241 781449626 /nfs/dbraw/zinc/44/96/26/781449626.db2.gz LEMCSYFPRQBRFR-LLVKDONJSA-N 2 0 280.372 1.128 10 0 CDAERP C[C@H]1CC[C@H]([NH2+]CCCN(C)CC[NH+](C)C)CS1 ZINC000857784103 781495498 /nfs/dbraw/zinc/49/54/98/781495498.db2.gz QSNLVDBCQMAALL-KBPBESRZSA-N 2 0 273.490 1.744 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711383251 781534284 /nfs/dbraw/zinc/53/42/84/781534284.db2.gz WFSKJGCPDKATCP-HZSPNIEDSA-N 2 0 279.428 1.317 10 0 CDAERP C[C@@H](CNC(=[NH2+])N1CCO[C@H](C)C1)C[NH+]1CCCCC1 ZINC000848995247 781694122 /nfs/dbraw/zinc/69/41/22/781694122.db2.gz LWUQZPAFTWTNKW-UONOGXRCSA-N 2 0 282.432 1.353 10 0 CDAERP C1[C@@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)C12CC[NH2+]CC2 ZINC000925702557 781739861 /nfs/dbraw/zinc/73/98/61/781739861.db2.gz BPVRAYQHRNCKLO-ARFHVFGLSA-N 3 0 277.456 1.886 10 0 CDAERP C[C@@H](C[C@H]1CCOC1)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000850500180 781751028 /nfs/dbraw/zinc/75/10/28/781751028.db2.gz DQCMDMDMNJYOED-HRCADAONSA-N 2 0 285.476 1.663 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)C(C)(C)CO)CC1 ZINC000924666799 781774187 /nfs/dbraw/zinc/77/41/87/781774187.db2.gz DPRRRZUZTPBOQF-KGLIPLIRSA-N 2 0 271.449 1.009 10 0 CDAERP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H]3CCC4(COC4)O3)CC[C@@H]21 ZINC000929846152 781820329 /nfs/dbraw/zinc/82/03/29/781820329.db2.gz GYKISNORMPDIPA-KFWWJZLASA-N 2 0 280.412 1.351 10 0 CDAERP CC1(C)C[C@@H](O)C[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000866702759 781861931 /nfs/dbraw/zinc/86/19/31/781861931.db2.gz GHILXMZOAVGJOH-OAHLLOKOSA-N 2 0 274.408 1.925 10 0 CDAERP COC1CCN(CC[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925543433 781865149 /nfs/dbraw/zinc/86/51/49/781865149.db2.gz SUKBQFOPKVFTEM-ZIAGYGMSSA-N 2 0 283.460 1.593 10 0 CDAERP CC[N@@H+]1CC[C@@H]1CNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000922159770 781897331 /nfs/dbraw/zinc/89/73/31/781897331.db2.gz URFRAODMAUPIMN-HZPDHXFCSA-N 2 0 289.423 1.890 10 0 CDAERP CC1CC[NH+](CCCCNC(=[NH2+])NC2CC2)CC1 ZINC000848989482 783293267 /nfs/dbraw/zinc/29/32/67/783293267.db2.gz UFYMQSWAZSOVIC-UHFFFAOYSA-N 2 0 252.406 1.775 10 0 CDAERP [NH3+]C1CCN(CC[NH2+]C(C2CCC2)C2CCC2)CC1 ZINC000925816481 783415522 /nfs/dbraw/zinc/41/55/22/783415522.db2.gz HEHLAODXXJPJMH-UHFFFAOYSA-N 2 0 265.445 1.968 10 0 CDAERP C[N@@H+]1CCN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])CCC1(C)C ZINC000712678413 783435244 /nfs/dbraw/zinc/43/52/44/783435244.db2.gz NUQAIEBOQTUGCX-OLZOCXBDSA-N 2 0 267.417 1.304 10 0 CDAERP CC(C)C[C@H]1C[N@H+](C)CCN1CCC[NH2+]C1CC1 ZINC000923556378 783501104 /nfs/dbraw/zinc/50/11/04/783501104.db2.gz WOEPWTOHEFQWEM-HNNXBMFYSA-N 2 0 253.434 1.791 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CCC(C)(C)C)[NH+](C)C ZINC001275309570 1166665801 /nfs/dbraw/zinc/66/58/01/1166665801.db2.gz CWDFVKKMYNXZGF-STQMWFEESA-N 2 0 271.449 1.857 10 0 CDAERP CCCC[C@H](C[NH2+]CCF)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001276254595 1166742043 /nfs/dbraw/zinc/74/20/43/1166742043.db2.gz DVYLYWJCMLBLRR-ZIAGYGMSSA-N 2 0 287.423 1.705 10 0 CDAERP CCN(CC[NH2+]CC=C(C)C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001568791838 1167543153 /nfs/dbraw/zinc/54/31/53/1167543153.db2.gz WDMODWYBFREDAB-HNNXBMFYSA-N 2 0 281.444 1.733 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001567920388 1168073198 /nfs/dbraw/zinc/07/31/98/1168073198.db2.gz CUTXEALPVKEXFE-HNNXBMFYSA-N 2 0 281.444 1.827 10 0 CDAERP CC[C@@H](F)C[N@H+](C)CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001566460978 1168287088 /nfs/dbraw/zinc/28/70/88/1168287088.db2.gz JFYJTLINAYQQAT-CYBMUJFWSA-N 2 0 287.423 1.657 10 0 CDAERP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[C@H](C[NH2+]CCF)C1 ZINC001566893547 1168458788 /nfs/dbraw/zinc/45/87/88/1168458788.db2.gz JVNNPNALGNNHMH-UKRRQHHQSA-N 2 0 297.418 1.126 10 0 CDAERP C[NH2+]C[C@H]1CCC[N@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000232148382 912538646 /nfs/dbraw/zinc/53/86/46/912538646.db2.gz TWCGURZBASHZDI-CABCVRRESA-N 2 0 254.418 1.859 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CCn1ccnc1 ZINC001272292961 912715961 /nfs/dbraw/zinc/71/59/61/912715961.db2.gz YVTXOJPOLPRJNQ-GJZGRUSLSA-N 2 0 292.427 1.948 10 0 CDAERP CC(C)[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001272384675 912984107 /nfs/dbraw/zinc/98/41/07/912984107.db2.gz RBONRTLXZLUYIF-KGLIPLIRSA-N 2 0 267.417 1.317 10 0 CDAERP C[NH+](C)CC1CCC([NH2+]Cc2cnc3n2CCOC3)CC1 ZINC000921920109 921115998 /nfs/dbraw/zinc/11/59/98/921115998.db2.gz GFJOLXKBLXBUMJ-UHFFFAOYSA-N 2 0 292.427 1.623 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1cccc2c1OCC2 ZINC000692979675 894335905 /nfs/dbraw/zinc/33/59/05/894335905.db2.gz LJCCFXXTOGBTPR-CQSZACIVSA-N 2 0 264.369 1.465 10 0 CDAERP COCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001266319908 894366441 /nfs/dbraw/zinc/36/64/41/894366441.db2.gz VEHNEHMOEQOUQW-CABCVRRESA-N 2 0 297.443 1.086 10 0 CDAERP C[NH+](C)CCC(=O)NCC[N@H+](C)CCC1CCCC1 ZINC001266320282 894367544 /nfs/dbraw/zinc/36/75/44/894367544.db2.gz GCUPPBYNTWJWRD-UHFFFAOYSA-N 2 0 269.433 1.566 10 0 CDAERP C[NH+](C)CCOCC[NH2+]C[C@H](O)c1cc(F)ccc1F ZINC000234254005 895637768 /nfs/dbraw/zinc/63/77/68/895637768.db2.gz WNSXEUDWJVJXIP-AWEZNQCLSA-N 2 0 288.338 1.166 10 0 CDAERP C[C@H]([NH2+][C@H]1CCCC12CC2)[C@@H]1CN(C)CCN1C ZINC000706953769 895906379 /nfs/dbraw/zinc/90/63/79/895906379.db2.gz BAMZTCSVKHUJPU-IHRRRGAJSA-N 2 0 251.418 1.543 10 0 CDAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCCC2CCCCC2)CC1 ZINC000566055844 896002865 /nfs/dbraw/zinc/00/28/65/896002865.db2.gz AMUOIDFGEKPCMU-KRWDZBQOSA-N 2 0 297.487 1.545 10 0 CDAERP [NH3+]CC[C@@H]1CC[N@H+](CC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000723696372 896133850 /nfs/dbraw/zinc/13/38/50/896133850.db2.gz UVJSKJDSTJFPKA-SNVBAGLBSA-N 2 0 283.322 1.574 10 0 CDAERP COc1ccnc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1OC ZINC000723907479 896264719 /nfs/dbraw/zinc/26/47/19/896264719.db2.gz CBGFDVKWTXWPPA-VXGBXAGGSA-N 2 0 279.384 1.516 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCCCCF ZINC001266927978 896367055 /nfs/dbraw/zinc/36/70/55/896367055.db2.gz OEDMYJFZFCYYHL-QWHCGFSZSA-N 2 0 273.396 1.315 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)[NH2+]CCCF)C1 ZINC001266965176 896458797 /nfs/dbraw/zinc/45/87/97/896458797.db2.gz RGMPVYLKTMABKD-UONOGXRCSA-N 2 0 287.423 1.562 10 0 CDAERP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]CC1=CCCCC1 ZINC001266965905 896460708 /nfs/dbraw/zinc/46/07/08/896460708.db2.gz XRZRIAKPRVGSMV-CQSZACIVSA-N 2 0 293.455 1.923 10 0 CDAERP CCCC[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001266987352 896505321 /nfs/dbraw/zinc/50/53/21/896505321.db2.gz OCEWEJYBSWMNRF-CHWSQXEVSA-N 2 0 257.422 1.467 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CC[C@@H](C[NH2+]CC2CC2)C1 ZINC001267066746 896675827 /nfs/dbraw/zinc/67/58/27/896675827.db2.gz KDTMVGYMPGUCPR-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP CC1CCC(C[NH2+]CCN(C)C(=O)C[NH+]2CCCC2)CC1 ZINC001267081097 896726717 /nfs/dbraw/zinc/72/67/17/896726717.db2.gz BXEPBSDQONSIRF-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP Cc1nc(C)c(C[NH2+]CCN(C)C(=O)CC[NH+](C)C)s1 ZINC001267424395 897892694 /nfs/dbraw/zinc/89/26/94/897892694.db2.gz NLGVHXRRIKCBGQ-UHFFFAOYSA-N 2 0 298.456 1.260 10 0 CDAERP Cc1ccc(C[NH2+]CCN(C)C(=O)C[NH+]2CCCC2)cc1 ZINC001567606204 1168884388 /nfs/dbraw/zinc/88/43/88/1168884388.db2.gz BOABANJPHQTOCW-UHFFFAOYSA-N 2 0 289.423 1.639 10 0 CDAERP CCC[NH2+]CCN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001481256177 899680424 /nfs/dbraw/zinc/68/04/24/899680424.db2.gz GJEOCNJFCLKNSM-UHFFFAOYSA-N 2 0 287.367 1.339 10 0 CDAERP CN(CC[NH2+]Cc1ccccc1Cl)C(=O)CC[NH+](C)C ZINC001481277407 899920417 /nfs/dbraw/zinc/92/04/17/899920417.db2.gz OHSUZLZQACEFFB-UHFFFAOYSA-N 2 0 297.830 1.840 10 0 CDAERP CCOCC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001268238103 901641184 /nfs/dbraw/zinc/64/11/84/901641184.db2.gz WVTNMFQVSSNSIP-OAHLLOKOSA-N 2 0 299.459 1.286 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CCC(C)C ZINC001481812828 902166129 /nfs/dbraw/zinc/16/61/29/902166129.db2.gz UQKXBHIAJUKEMZ-CVEARBPZSA-N 2 0 295.471 1.859 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)[NH2+]CC(C)C ZINC001481879622 902264425 /nfs/dbraw/zinc/26/44/25/902264425.db2.gz VXVBSHWPEFEUMD-GJZGRUSLSA-N 2 0 299.459 1.095 10 0 CDAERP CCN(CC[NH2+]Cc1ccsc1)C(=O)CC[NH+](C)C ZINC001268475757 902264601 /nfs/dbraw/zinc/26/46/01/902264601.db2.gz KPVGINSNKFKWNG-UHFFFAOYSA-N 2 0 283.441 1.638 10 0 CDAERP CCCC[NH2+][C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001482022711 902472744 /nfs/dbraw/zinc/47/27/44/902472744.db2.gz MNDDBFQOUKGXAB-HDJSIYSDSA-N 2 0 269.433 1.755 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482159366 902778755 /nfs/dbraw/zinc/77/87/55/902778755.db2.gz OIFPKJZTSLQTRN-CABCVRRESA-N 2 0 281.444 1.636 10 0 CDAERP C[C@H](C[NH2+]CC1CCCC1)NC(=O)CC[NH+](C)C ZINC001268659946 902914294 /nfs/dbraw/zinc/91/42/94/902914294.db2.gz CDIHTLXTDYDVQQ-GFCCVEGCSA-N 2 0 255.406 1.223 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CCC(F)(F)F)[NH+](C)C ZINC001268704387 902989607 /nfs/dbraw/zinc/98/96/07/902989607.db2.gz AGJROTIKEHUBQD-UWVGGRQHSA-N 2 0 283.338 1.373 10 0 CDAERP CN(CCC[NH2+]C/C=C\Cl)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001268784075 903126839 /nfs/dbraw/zinc/12/68/39/903126839.db2.gz QSWKRIKXVSZRJV-KMSCOEIWSA-N 2 0 273.808 1.271 10 0 CDAERP CC(C)[C@H](C(=O)N(C)CCC[NH2+]CCF)[NH+]1CCCC1 ZINC001268962671 903280860 /nfs/dbraw/zinc/28/08/60/903280860.db2.gz VAOIYTARGGTCEW-CQSZACIVSA-N 2 0 287.423 1.514 10 0 CDAERP CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001269453071 903825388 /nfs/dbraw/zinc/82/53/88/903825388.db2.gz BBGMFMRFUDTNOM-AVGNSLFASA-N 2 0 255.406 1.221 10 0 CDAERP O=C(N1CCC[C@H]1C[NH2+]CCF)C12CCC[NH+]1CCC2 ZINC001270083442 904337324 /nfs/dbraw/zinc/33/73/24/904337324.db2.gz OIFYFIJASKZLFQ-ZDUSSCGKSA-N 2 0 283.391 1.165 10 0 CDAERP CC(C)OCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001482318533 904973820 /nfs/dbraw/zinc/97/38/20/904973820.db2.gz HCQBOYCMKCQWKW-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+](C)C ZINC001482326051 905045374 /nfs/dbraw/zinc/04/53/74/905045374.db2.gz PNKUTLNUEDRBLN-CYBMUJFWSA-N 2 0 257.422 1.421 10 0 CDAERP CCCC[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001482329384 905077291 /nfs/dbraw/zinc/07/72/91/905077291.db2.gz AYMWKGFPGKNBEH-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP CC[NH2+]Cc1ccccc1NC(=O)C[NH2+]CC1CC1 ZINC000262482783 906429649 /nfs/dbraw/zinc/42/96/49/906429649.db2.gz UYZVYZZOIKKNQW-UHFFFAOYSA-N 2 0 261.369 1.734 10 0 CDAERP CC[NH+](CC)CC[C@H](CO)[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000922223059 921379337 /nfs/dbraw/zinc/37/93/37/921379337.db2.gz UFFUPYOZGWSBMD-YYIAUSFCSA-N 2 0 298.471 1.874 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC1CC[NH+](C)CC1 ZINC000713043349 909600964 /nfs/dbraw/zinc/60/09/64/909600964.db2.gz LKKCLKUGCGLCAX-LBPRGKRZSA-N 2 0 255.406 1.206 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)C12CCC2 ZINC000713524283 909629285 /nfs/dbraw/zinc/62/92/85/909629285.db2.gz SRFIYAIVCBUZRR-RKQHYHRCSA-N 2 0 262.397 1.804 10 0 CDAERP CC(C)C[NH2+]CC1CC(NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001409286567 909673520 /nfs/dbraw/zinc/67/35/20/909673520.db2.gz KUJZTGVTDSARJX-YMAMQOFZSA-N 2 0 281.444 1.611 10 0 CDAERP CCOC[C@H](O)C[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714410649 909733305 /nfs/dbraw/zinc/73/33/05/909733305.db2.gz LUYSVJXLSSSLER-CYBMUJFWSA-N 2 0 258.406 1.081 10 0 CDAERP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H](C)[NH2+]CCC1CC1 ZINC001409395348 910374060 /nfs/dbraw/zinc/37/40/60/910374060.db2.gz ILHHEWOISQIJKO-QWHCGFSZSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccccn1 ZINC001409481310 910434339 /nfs/dbraw/zinc/43/43/39/910434339.db2.gz WTHKOLVETSKYTQ-KGLIPLIRSA-N 2 0 292.427 1.405 10 0 CDAERP CC(C)CC[N@H+](C)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001409645852 910593826 /nfs/dbraw/zinc/59/38/26/910593826.db2.gz PIEFQZSJRCMODB-CQSZACIVSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001483569940 911275158 /nfs/dbraw/zinc/27/51/58/911275158.db2.gz GGRPQMPMVRLBLA-HOTGVXAUSA-N 2 0 293.455 1.921 10 0 CDAERP CCCCC[NH2+]C[C@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001484111785 915440454 /nfs/dbraw/zinc/44/04/54/915440454.db2.gz KCOVYOSDSHFZIU-INIZCTEOSA-N 2 0 283.460 1.957 10 0 CDAERP CCCC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001484381171 915705059 /nfs/dbraw/zinc/70/50/59/915705059.db2.gz OFSGSQTVIFUZCD-GJZGRUSLSA-N 2 0 283.460 1.812 10 0 CDAERP CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCCC[NH+](C)C ZINC001484462713 915788496 /nfs/dbraw/zinc/78/84/96/915788496.db2.gz DHTMKHLMMQHKOL-HUUCEWRRSA-N 2 0 281.444 1.804 10 0 CDAERP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+]CCF)CC2)CC[N@@H+]1C ZINC001484568268 915891112 /nfs/dbraw/zinc/89/11/12/915891112.db2.gz HBGAGSKLDVIRHH-KBUPBQIOSA-N 2 0 299.434 1.561 10 0 CDAERP CC1CC(C[NH2+]C2(C)CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001484921443 916277704 /nfs/dbraw/zinc/27/77/04/916277704.db2.gz VOUYJYFDWMTHTH-UHFFFAOYSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](C)C[N@H+](C)[C@@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001485311987 916795041 /nfs/dbraw/zinc/79/50/41/916795041.db2.gz GKANXBIBDUSFKZ-KBPBESRZSA-N 2 0 283.460 1.953 10 0 CDAERP CCCC[N@H+](C)[C@@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001485373891 916912505 /nfs/dbraw/zinc/91/25/05/916912505.db2.gz YOLVZRBEDPLEQY-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@H](F)CC[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001485384485 916919435 /nfs/dbraw/zinc/91/94/35/916919435.db2.gz VSUNLELYJOXHBJ-STQMWFEESA-N 2 0 273.396 1.267 10 0 CDAERP CC[NH2+]CC1(NC(=O)[C@H]2CCC[N@@H+]2C)CCCCC1 ZINC001485448057 916984053 /nfs/dbraw/zinc/98/40/53/916984053.db2.gz JEJBWABRIHHQEI-CYBMUJFWSA-N 2 0 267.417 1.509 10 0 CDAERP CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3([NH+](C)C)CCC3)[C@@H]2C1 ZINC001485603678 917128382 /nfs/dbraw/zinc/12/83/82/917128382.db2.gz IEHLDBFRWAIIIV-QKDCVEJESA-N 2 0 293.455 1.565 10 0 CDAERP C[NH+]1CCC2(CC1)C[N@H+](CCCCCCCO)CCO2 ZINC000830637417 936465923 /nfs/dbraw/zinc/46/59/23/936465923.db2.gz LIYKYSRNTYCLAQ-UHFFFAOYSA-N 2 0 284.444 1.726 10 0 CDAERP [NH3+]CCCCCCNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000831292418 936502466 /nfs/dbraw/zinc/50/24/66/936502466.db2.gz YVDKRHFLUBTMJF-ZDUSSCGKSA-N 2 0 268.405 1.041 10 0 CDAERP [NH3+]CCCCCC[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000385287278 936624654 /nfs/dbraw/zinc/62/46/54/936624654.db2.gz BLZLXPXVCUGKKV-JTQLQIEISA-N 2 0 254.296 1.505 10 0 CDAERP COCCCC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001486182111 920786274 /nfs/dbraw/zinc/78/62/74/920786274.db2.gz XFLROESZUPWLQF-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP Cc1cc([C@H]([NH3+])CC(=O)NC[C@@H](C)C[NH3+])cc(Cl)n1 ZINC000834340790 936683500 /nfs/dbraw/zinc/68/35/00/936683500.db2.gz DMXNSBNGOFDOPL-GZMMTYOYSA-N 2 0 284.791 1.144 10 0 CDAERP CCCC[NH2+]C1CC(N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001486481360 921060002 /nfs/dbraw/zinc/06/00/02/921060002.db2.gz KYAYUCWTEWJTAY-YMAMQOFZSA-N 2 0 283.460 1.952 10 0 CDAERP C[C@H](C[NH2+]CC1CN(C(=O)OC(C)(C)C)C1)N(C)C1CC1 ZINC000710874431 923252440 /nfs/dbraw/zinc/25/24/40/923252440.db2.gz KDSPQYWNQAYRRW-GFCCVEGCSA-N 2 0 297.443 1.926 10 0 CDAERP CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001490958094 936835210 /nfs/dbraw/zinc/83/52/10/936835210.db2.gz NWWBCXQNEONNHS-RBSFLKMASA-N 2 0 281.444 1.754 10 0 CDAERP CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923307032 923723670 /nfs/dbraw/zinc/72/36/70/923723670.db2.gz RFNIYRAXOZUILP-INIZCTEOSA-N 2 0 290.407 1.896 10 0 CDAERP CC1([NH+]2CCOCC2)CCN(CCC[NH2+]C2CC2)CC1 ZINC000923402444 923809899 /nfs/dbraw/zinc/80/98/99/923809899.db2.gz HPMYSYAJXCGIPS-UHFFFAOYSA-N 2 0 281.444 1.315 10 0 CDAERP CC(C)COC[C@H](O)C[N@H+](C)C1(C[NH3+])CCCCC1 ZINC000923422354 923820297 /nfs/dbraw/zinc/82/02/97/923820297.db2.gz KMXPTMJVQXUFNL-CQSZACIVSA-N 2 0 272.433 1.613 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCn3nc(C4CC4)cc3C2)C1 ZINC000923447908 923834868 /nfs/dbraw/zinc/83/48/68/923834868.db2.gz OQFPEVLSMDSIAZ-WCQYABFASA-N 2 0 260.385 1.704 10 0 CDAERP Cc1cccnc1NC(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923491882 923879080 /nfs/dbraw/zinc/87/90/80/923879080.db2.gz UUHCRDCHGPDKTJ-STQMWFEESA-N 2 0 276.384 1.245 10 0 CDAERP C[C@@H]1C[N@H+](C[C@@H]2CC[C@H](C3CC3)O2)CC[C@@H]1C[NH3+] ZINC000923494542 923882635 /nfs/dbraw/zinc/88/26/35/923882635.db2.gz YTMUKNPVQKANIB-REBRKWNGSA-N 2 0 252.402 1.861 10 0 CDAERP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923511114 923888987 /nfs/dbraw/zinc/88/89/87/923888987.db2.gz ZBZVILHVMFTMAM-TUVASFSCSA-N 2 0 281.444 1.693 10 0 CDAERP COCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001491252177 936883918 /nfs/dbraw/zinc/88/39/18/936883918.db2.gz KFNDSVAQBZPLLP-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CCO)[NH+](CC)CC ZINC001491265159 936886487 /nfs/dbraw/zinc/88/64/87/936886487.db2.gz XDTLYDMVUPOCSA-CABCVRRESA-N 2 0 299.459 1.070 10 0 CDAERP CC(C)(C)OC(=O)NCC1(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000838864004 936892606 /nfs/dbraw/zinc/89/26/06/936892606.db2.gz LDZBVGGKDHBDIH-CHWSQXEVSA-N 2 0 295.427 1.443 10 0 CDAERP CC[C@H](F)C[NH2+][C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001491480674 936922056 /nfs/dbraw/zinc/92/20/56/936922056.db2.gz LMCNRDFXULOONC-NEPJUHHUSA-N 2 0 273.396 1.313 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCn2cncc2C1)[NH2+]C/C=C\Cl ZINC001491506031 936926081 /nfs/dbraw/zinc/92/60/81/936926081.db2.gz AXCQBKHCCJMVHY-DNDCWNJCSA-N 2 0 296.802 1.292 10 0 CDAERP c1nn(-c2ccccc2)nc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000841080239 936974880 /nfs/dbraw/zinc/97/48/80/936974880.db2.gz QXRDKWOMFLINJS-HNNXBMFYSA-N 2 0 283.379 1.499 10 0 CDAERP CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]2C1 ZINC001410187888 925366937 /nfs/dbraw/zinc/36/69/37/925366937.db2.gz OTIDYBGQMNVHLR-ARFHVFGLSA-N 2 0 295.471 1.953 10 0 CDAERP Cc1cc([C@H]([NH3+])CC(=O)NC[C@@H]([NH3+])C(C)C)cc(Cl)n1 ZINC000841848526 937017372 /nfs/dbraw/zinc/01/73/72/937017372.db2.gz LAJLAESOUAMPJL-VXGBXAGGSA-N 2 0 298.818 1.533 10 0 CDAERP COC(=O)c1sccc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000378681558 925774796 /nfs/dbraw/zinc/77/47/96/925774796.db2.gz SRJZCEYCJVSMDR-UHFFFAOYSA-N 2 0 282.409 1.966 10 0 CDAERP COCCN1CCC[N@H+](CCCCCCC[NH3+])CC1=O ZINC000842476036 937058468 /nfs/dbraw/zinc/05/84/68/937058468.db2.gz FBRLCWZCANXZPU-UHFFFAOYSA-N 2 0 285.432 1.076 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]C(C)C ZINC001495005257 926629722 /nfs/dbraw/zinc/62/97/22/926629722.db2.gz JXGGWBFFWGMCTB-CHWSQXEVSA-N 2 0 255.406 1.364 10 0 CDAERP COCCC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1C ZINC001489270760 926861841 /nfs/dbraw/zinc/86/18/41/926861841.db2.gz AZURNDNVEBTCOF-KGLIPLIRSA-N 2 0 297.443 1.086 10 0 CDAERP CCOCC[NH+]1CCC(N(C)C(=O)C[NH+]2CCCC2)CC1 ZINC001490421232 927170073 /nfs/dbraw/zinc/17/00/73/927170073.db2.gz PNDGMYONJNMLLP-UHFFFAOYSA-N 2 0 297.443 1.042 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]C(C)C)C1CC1 ZINC001490670849 927275935 /nfs/dbraw/zinc/27/59/35/927275935.db2.gz HBULONPKXGUVSL-LSDHHAIUSA-N 2 0 281.444 1.754 10 0 CDAERP CCC(CC)C[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001490739965 927314562 /nfs/dbraw/zinc/31/45/62/927314562.db2.gz NPCLDGBDPBUGCM-HZPDHXFCSA-N 2 0 295.471 1.859 10 0 CDAERP [NH3+]Cc1cccc(C(=O)N2CCc3ccccc3[C@H]2C[NH3+])c1 ZINC000843506662 937157256 /nfs/dbraw/zinc/15/72/56/937157256.db2.gz DRFRXJXDYFPUTO-QGZVFWFLSA-N 2 0 295.386 1.844 10 0 CDAERP COc1cncc(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1 ZINC000850354042 927419984 /nfs/dbraw/zinc/41/99/84/927419984.db2.gz SXUFXZPASWSMHI-AWEZNQCLSA-N 2 0 294.443 1.452 10 0 CDAERP CO[C@@H](C[N@@H+]1CCC2(C1)CC[NH2+]CC2)C1CCC1 ZINC000852746020 927859134 /nfs/dbraw/zinc/85/91/34/927859134.db2.gz COQAHUZPLYTMHM-AWEZNQCLSA-N 2 0 252.402 1.877 10 0 CDAERP C[NH+](C)CCC[C@@H]1C[N@H+](C[Si](C)(C)C)CCO1 ZINC000852760183 927864812 /nfs/dbraw/zinc/86/48/12/927864812.db2.gz BONCRVIHNUJMDR-CYBMUJFWSA-N 2 0 258.482 1.906 10 0 CDAERP [NH3+]CCCCCC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000852839157 927890384 /nfs/dbraw/zinc/89/03/84/927890384.db2.gz YBKABRCIFIJRIT-OAHLLOKOSA-N 2 0 281.444 1.744 10 0 CDAERP [NH3+][C@H](CC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)C1CC1 ZINC000852860138 927898251 /nfs/dbraw/zinc/89/82/51/927898251.db2.gz LCHWSGHMKCKPBT-CABCVRRESA-N 2 0 289.379 1.413 10 0 CDAERP CC1CC[NH+](CCNC(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852858794 927898452 /nfs/dbraw/zinc/89/84/52/927898452.db2.gz HJDXBQDBWOWZDS-UHFFFAOYSA-N 2 0 265.401 1.144 10 0 CDAERP CN(CC(F)F)C1CCN(C(=O)CC2([NH3+])CC2)CC1 ZINC000852870239 927901281 /nfs/dbraw/zinc/90/12/81/927901281.db2.gz QFOFOULUPJYHBW-UHFFFAOYSA-N 2 0 275.343 1.056 10 0 CDAERP C[NH+]1CCN(c2ccccc2NC(=O)CC2([NH3+])CC2)CC1 ZINC000852873166 927903970 /nfs/dbraw/zinc/90/39/70/927903970.db2.gz PZGHCCXGRGGVBI-UHFFFAOYSA-N 2 0 288.395 1.258 10 0 CDAERP C[NH+](C)CCN(C(=O)C=C1CC[NH2+]CC1)C1CCCC1 ZINC000852882465 927905868 /nfs/dbraw/zinc/90/58/68/927905868.db2.gz IAIQPXVLPJSAFQ-UHFFFAOYSA-N 2 0 279.428 1.629 10 0 CDAERP CCCCCC[N@H+](C)CC(=O)N(C)CC1C[NH+](C)C1 ZINC000855638323 928451008 /nfs/dbraw/zinc/45/10/08/928451008.db2.gz BPSQYPKEUBVPFH-UHFFFAOYSA-N 2 0 269.433 1.519 10 0 CDAERP CN(CCC[NH2+]Cc1cnc(Cl)n1C)CC[NH+](C)C ZINC000857784351 928750525 /nfs/dbraw/zinc/75/05/25/928750525.db2.gz XNBMNJRRDNBKHH-UHFFFAOYSA-N 2 0 287.839 1.047 10 0 CDAERP CN1CCC[C@H]1C[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000858307239 928834767 /nfs/dbraw/zinc/83/47/67/928834767.db2.gz DXHJUDKAUQEFFO-GARJFASQSA-N 2 0 266.307 1.780 10 0 CDAERP Cc1c[nH+]ccc1NNC(=S)NCC(C)(C)C[NH+](C)C ZINC000863205667 929519137 /nfs/dbraw/zinc/51/91/37/929519137.db2.gz LIELANYIFIBYCI-UHFFFAOYSA-N 2 0 295.456 1.191 10 0 CDAERP C[C@@H]([NH2+]CCOCCC[NH3+])c1ccnc(Cl)c1 ZINC000863546650 929568490 /nfs/dbraw/zinc/56/84/90/929568490.db2.gz MGRKITDJKUBBQR-SNVBAGLBSA-N 2 0 257.765 1.751 10 0 CDAERP C[C@@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C[NH+](C)C ZINC000816832909 930366823 /nfs/dbraw/zinc/36/68/23/930366823.db2.gz QJRYIDRLSLDFLL-SWLSCSKDSA-N 2 0 287.423 1.513 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1COc2ccccc2C1 ZINC000817892544 930620742 /nfs/dbraw/zinc/62/07/42/930620742.db2.gz UKQHATUKAXNLPR-ZFWWWQNUSA-N 2 0 278.396 1.581 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)C[C@@H](O)c1ccc(F)cc1 ZINC000817905555 930623436 /nfs/dbraw/zinc/62/34/36/930623436.db2.gz OIKYIWHLOTXZCR-VBNZEHGJSA-N 2 0 298.402 1.981 10 0 CDAERP C[C@H](N[C@H]1C[NH2+]CCC1(F)F)C1CC[NH+](C)CC1 ZINC000817980356 930655286 /nfs/dbraw/zinc/65/52/86/930655286.db2.gz KYBCZKZDHQJTSL-JQWIXIFHSA-N 2 0 261.360 1.304 10 0 CDAERP C[C@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[S@@](C)=O ZINC000820823454 930968056 /nfs/dbraw/zinc/96/80/56/930968056.db2.gz NJPNMWHKUBRQND-MWMSCLPTSA-N 2 0 284.469 1.891 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC/C=C/C[NH2+]CCF ZINC001274106190 931171494 /nfs/dbraw/zinc/17/14/94/931171494.db2.gz XELJJYFEUUYSDK-YWVDXFKGSA-N 2 0 271.380 1.092 10 0 CDAERP CC1CC(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001274133702 931188893 /nfs/dbraw/zinc/18/88/93/931188893.db2.gz MUXXYMIPDKWJCJ-MKHQPZQGSA-N 2 0 293.455 1.779 10 0 CDAERP CC[C@H](C)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001274133682 931189069 /nfs/dbraw/zinc/18/90/69/931189069.db2.gz MROQDVAYGPBRLS-BEWKBBBFSA-N 2 0 281.444 1.779 10 0 CDAERP CC(C)(C(=O)NC/C=C\C[NH2+]CC1CC1)[NH+]1CCCC1 ZINC001274254888 931484830 /nfs/dbraw/zinc/48/48/30/931484830.db2.gz VPPYBNUNVPVELA-ARJAWSKDSA-N 2 0 279.428 1.533 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CCC(C)([NH2+]CCCF)CC2)CC[N@@H+]1C ZINC001274339533 931492067 /nfs/dbraw/zinc/49/20/67/931492067.db2.gz ICFAMKRJVLZZKK-ZIAGYGMSSA-N 2 0 299.434 1.657 10 0 CDAERP CCCC[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001274797653 931579300 /nfs/dbraw/zinc/57/93/00/931579300.db2.gz UPDUHIFMBSPSJU-OLZOCXBDSA-N 2 0 257.422 1.467 10 0 CDAERP COCCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001279193040 931816055 /nfs/dbraw/zinc/81/60/55/931816055.db2.gz IGIFNWIEFIPIJG-GJZGRUSLSA-N 2 0 299.459 1.047 10 0 CDAERP C[NH+](C)C1(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCCC1 ZINC001411670250 931950640 /nfs/dbraw/zinc/95/06/40/931950640.db2.gz OXXNNWXFALPFPR-CYBMUJFWSA-N 2 0 279.428 1.461 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001447756423 932090698 /nfs/dbraw/zinc/09/06/98/932090698.db2.gz BUZPZBSRTCQQEG-RBSFLKMASA-N 2 0 281.444 1.659 10 0 CDAERP [NH3+]CCCCCCNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000846681050 932109576 /nfs/dbraw/zinc/10/95/76/932109576.db2.gz YFFDAWPEHPBIGM-STQMWFEESA-N 2 0 253.390 1.152 10 0 CDAERP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001411937980 932161092 /nfs/dbraw/zinc/16/10/92/932161092.db2.gz LOVAROMRVGDAFV-TUVASFSCSA-N 2 0 281.444 1.658 10 0 CDAERP CCN1CC[C@H]1C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001147145214 932427020 /nfs/dbraw/zinc/42/70/20/932427020.db2.gz BLOHHXHFHXBRPY-OLZOCXBDSA-N 2 0 267.417 1.317 10 0 CDAERP CN(CCC[NH2+]CCC1CC1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001276076161 932493872 /nfs/dbraw/zinc/49/38/72/932493872.db2.gz LDZQGMBBVHWROX-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]3[C@@H]2CCC[NH+]3C)C1 ZINC001412559399 932500104 /nfs/dbraw/zinc/50/01/04/932500104.db2.gz NRUGCNHCOWKDMP-JYJNAYRXSA-N 2 0 293.455 1.802 10 0 CDAERP CC[C@@H]1C[N@H+](CC)CCN1C(=O)N[C@@H]1CC[NH+](C)[C@@H]1C ZINC000925344131 932875766 /nfs/dbraw/zinc/87/57/66/932875766.db2.gz YPXGMVUCTGQDKC-MGPQQGTHSA-N 2 0 282.432 1.205 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](CO)Cc2ccco2)C12CCC2 ZINC000925478739 932891842 /nfs/dbraw/zinc/89/18/42/932891842.db2.gz WQGLEWOORWDLFD-BNOWGMLFSA-N 2 0 264.369 1.290 10 0 CDAERP C[C@](O)(C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)c1ccccc1 ZINC000925614640 932915356 /nfs/dbraw/zinc/91/53/56/932915356.db2.gz ZGUJMHKGZNQHBH-ZNMIVQPWSA-N 2 0 260.381 1.754 10 0 CDAERP Cn1cnc(CCC[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)n1 ZINC000925704670 932929443 /nfs/dbraw/zinc/92/94/43/932929443.db2.gz IQWRZGAQLRANRV-RYUDHWBXSA-N 2 0 265.405 1.243 10 0 CDAERP CN1CCOC[C@H]1C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925718032 932931421 /nfs/dbraw/zinc/93/14/21/932931421.db2.gz MSIJLVAOEXZRNM-CVEARBPZSA-N 2 0 277.412 1.387 10 0 CDAERP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccnc(-c3ccccn3)n2)C1 ZINC000925761634 932936565 /nfs/dbraw/zinc/93/65/65/932936565.db2.gz DBEVHUCREZNTDU-STQMWFEESA-N 2 0 283.379 1.898 10 0 CDAERP COC[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)C(C)C ZINC000925780402 932939564 /nfs/dbraw/zinc/93/95/64/932939564.db2.gz FPSVSPLCYSJLAX-MNOVXSKESA-N 2 0 250.333 1.492 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CCCCCN2CC[NH2+]CC2)CN1C1CC1 ZINC000925844812 932945759 /nfs/dbraw/zinc/94/57/59/932945759.db2.gz LZSFCTSWRNYKCB-HZPDHXFCSA-N 2 0 294.487 1.277 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCO[C@@H]2CCOC2)C1 ZINC000925874286 932949059 /nfs/dbraw/zinc/94/90/59/932949059.db2.gz IAYDVGBZFWBYKQ-JHJVBQTASA-N 2 0 256.390 1.288 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC000926604375 933004739 /nfs/dbraw/zinc/00/47/39/933004739.db2.gz ZYLCUCAGPPZLQP-JIROBOQZSA-N 2 0 273.371 1.256 10 0 CDAERP CCC[NH+]1CCC([N@H+](C)C[C@H](O)C2(O)CCC2)CC1 ZINC000929777054 933267612 /nfs/dbraw/zinc/26/76/12/933267612.db2.gz GQTNPOXNUGIXIC-AWEZNQCLSA-N 2 0 270.417 1.069 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCO[C@@H]2CCOC2)C[C@H]1C ZINC000929779101 933269149 /nfs/dbraw/zinc/26/91/49/933269149.db2.gz DHPKCIYXFLNIAY-QLFBSQMISA-N 2 0 270.417 1.597 10 0 CDAERP Nc1cc[nH+]c2c1CN(CCC(=O)N1CCCC1)CC2 ZINC000931515447 933580573 /nfs/dbraw/zinc/58/05/73/933580573.db2.gz FGTVZQBXKFNAMB-UHFFFAOYSA-N 2 0 274.368 1.034 10 0 CDAERP C[NH+]1CCC(C[NH2+][C@H]2CCCN3CCSC[C@H]23)CC1 ZINC000718457155 934821183 /nfs/dbraw/zinc/82/11/83/934821183.db2.gz LTFAAIXDKZRFNK-LSDHHAIUSA-N 2 0 283.485 1.498 10 0 CDAERP CO[C@@]1(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)CCSC1 ZINC000719232573 934846124 /nfs/dbraw/zinc/84/61/24/934846124.db2.gz ZLTUGGHNJKRGBV-GXTWGEPZSA-N 2 0 272.458 1.828 10 0 CDAERP CO[C@]1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCSC1 ZINC000719229994 934846250 /nfs/dbraw/zinc/84/62/50/934846250.db2.gz PJALHRHIPJLYGA-MJBXVCDLSA-N 2 0 270.442 1.725 10 0 CDAERP Cc1conc1C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001568613378 1169398349 /nfs/dbraw/zinc/39/83/49/1169398349.db2.gz WIIVHJWANQUIIG-JSGCOSHPSA-N 2 0 294.399 1.062 10 0 CDAERP C1C[C@H]2CC([NH2+][C@H]3CCCN4CCSC[C@@H]34)C[C@@H]1[NH2+]2 ZINC000720469637 935147453 /nfs/dbraw/zinc/14/74/53/935147453.db2.gz CSWSABYQZTVTPP-AWQNUYMJSA-N 2 0 281.469 1.439 10 0 CDAERP [NH3+]C1(C[NH2+]C[C@@H]2CC[C@@H](C(F)(F)F)O2)CCC1 ZINC000722398355 935759713 /nfs/dbraw/zinc/75/97/13/935759713.db2.gz LKYNMEHXHNIKKX-IUCAKERBSA-N 2 0 252.280 1.567 10 0 CDAERP C[NH+](C)CCCNC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000091359025 940739303 /nfs/dbraw/zinc/73/93/03/940739303.db2.gz IQRDFPSSILOWJE-RDBSUJKOSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)[C@H](C[NH2+][C@@H]1CO[C@@H](C)[C@H]1C)N1CC[NH+](C)CC1 ZINC000405570091 940992205 /nfs/dbraw/zinc/99/22/05/940992205.db2.gz GKPUKFQTORRXDE-QXSJWSMHSA-N 2 0 283.460 1.271 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001276808762 941392946 /nfs/dbraw/zinc/39/29/46/941392946.db2.gz BRSBTSPWXNPSFO-KGLIPLIRSA-N 2 0 267.417 1.461 10 0 CDAERP COCCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001276851340 941642159 /nfs/dbraw/zinc/64/21/59/941642159.db2.gz AUEMTPMHXMBHCW-LSDHHAIUSA-N 2 0 297.443 1.086 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@@H]1CNC(=O)Cc1[nH]cnc1C ZINC001276964514 941743648 /nfs/dbraw/zinc/74/36/48/941743648.db2.gz UAUVVRQGSFVMHY-ZRUQZJFASA-N 2 0 290.411 1.807 10 0 CDAERP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCCC[C@H]3O)CC[C@@H]21 ZINC001473725917 970840113 /nfs/dbraw/zinc/84/01/13/970840113.db2.gz WWGXCDDRLSQYSO-CBBWQLFWSA-N 2 0 252.402 1.564 10 0 CDAERP CC(C)[NH2+]CCC[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001277210556 942178121 /nfs/dbraw/zinc/17/81/21/942178121.db2.gz OIUWQGFYLILSKG-ZDUSSCGKSA-N 2 0 269.433 1.754 10 0 CDAERP C[C@@H](CCC[NH2+]CCF)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001277217231 942185076 /nfs/dbraw/zinc/18/50/76/942185076.db2.gz IBQSLHGPPPMANT-QWHCGFSZSA-N 2 0 273.396 1.315 10 0 CDAERP C[C@H](F)CC[NH2+]CC[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001280297171 942427716 /nfs/dbraw/zinc/42/77/16/942427716.db2.gz RVFOKGUVCJBZPP-LSDHHAIUSA-N 2 0 299.434 1.659 10 0 CDAERP CCOCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)CC1 ZINC001280776451 942484960 /nfs/dbraw/zinc/48/49/60/942484960.db2.gz JJBDTRFONHHPTL-OAHLLOKOSA-N 2 0 299.459 1.334 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1C[NH2+]CCCF ZINC001281888902 942629262 /nfs/dbraw/zinc/62/92/62/942629262.db2.gz KBZXKXWBPDCKEX-AWEZNQCLSA-N 2 0 287.423 1.659 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCCCCF ZINC001283653820 942958488 /nfs/dbraw/zinc/95/84/88/942958488.db2.gz QZGJQVZLPMYHOM-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001283712566 942976910 /nfs/dbraw/zinc/97/69/10/942976910.db2.gz ADGURXKBBAMTNB-UONOGXRCSA-N 2 0 269.433 1.421 10 0 CDAERP CC(C)(C(=O)N[C@@H]1CC[C@H](C[NH2+]CCF)C1)[NH+]1CCCC1 ZINC001284196531 943106923 /nfs/dbraw/zinc/10/69/23/943106923.db2.gz MLVFIOJDFBTYES-UONOGXRCSA-N 2 0 299.434 1.705 10 0 CDAERP CCC[N@H+]1CC=C(CNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001284968504 943305094 /nfs/dbraw/zinc/30/50/94/943305094.db2.gz KCYCSKVYAXXLCF-UHFFFAOYSA-N 2 0 293.455 1.877 10 0 CDAERP CCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+](C)C ZINC001264000245 944059796 /nfs/dbraw/zinc/05/97/96/944059796.db2.gz JREORSPUUKIRQT-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]CCC2CC2)C1 ZINC001264430433 944134476 /nfs/dbraw/zinc/13/44/76/944134476.db2.gz ATAKJXARAXYHLN-HDJSIYSDSA-N 2 0 267.417 1.223 10 0 CDAERP CCOCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H]1C ZINC001264706568 944167351 /nfs/dbraw/zinc/16/73/51/944167351.db2.gz JQNXIAWVJCMCOB-ILXRZTDVSA-N 2 0 299.459 1.188 10 0 CDAERP C[C@@H](O)CCC[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001265001131 944198146 /nfs/dbraw/zinc/19/81/46/944198146.db2.gz OSAWPMIDRNDLCT-CABCVRRESA-N 2 0 299.459 1.070 10 0 CDAERP CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001265411876 944377999 /nfs/dbraw/zinc/37/79/99/944377999.db2.gz VAVBRSLESBXIIY-OKILXGFUSA-N 2 0 267.417 1.413 10 0 CDAERP CCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001265539076 944421872 /nfs/dbraw/zinc/42/18/72/944421872.db2.gz WNWCCKMJEVGIGG-ZNMIVQPWSA-N 2 0 297.443 1.133 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@H](C[NH2+]CCC2CC2)C1 ZINC001266012710 944627991 /nfs/dbraw/zinc/62/79/91/944627991.db2.gz JAWLBTIZWKLFMP-CQSZACIVSA-N 2 0 267.417 1.176 10 0 CDAERP CCCCC[NH2+]C[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001266028980 944640119 /nfs/dbraw/zinc/64/01/19/944640119.db2.gz HXKAMGZOSSMDPE-CVEARBPZSA-N 2 0 295.471 1.957 10 0 CDAERP CC/C=C\CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001279321340 944794544 /nfs/dbraw/zinc/79/45/44/944794544.db2.gz BOHWRHKRBIPZMB-OVOSOMIISA-N 2 0 293.455 1.873 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC2(C)CC[NH+](C)CC2)C1 ZINC001362308643 971140886 /nfs/dbraw/zinc/14/08/86/971140886.db2.gz HZSMGCVGFQKOTB-CABCVRRESA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC2(C)CC[NH+](C)CC2)C1 ZINC001362308650 971141487 /nfs/dbraw/zinc/14/14/87/971141487.db2.gz HZSMGCVGFQKOTB-HUUCEWRRSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001480635266 971170278 /nfs/dbraw/zinc/17/02/78/971170278.db2.gz CXTMEWUQBWAMBZ-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)OCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C ZINC001278323762 946150913 /nfs/dbraw/zinc/15/09/13/946150913.db2.gz AOMRAMPBAHTJLF-LSDHHAIUSA-N 2 0 297.443 1.086 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)C[NH2+]CC(C)C ZINC001261659277 946219257 /nfs/dbraw/zinc/21/92/57/946219257.db2.gz GASBCDGPWUKEFP-UHFFFAOYSA-N 2 0 257.422 1.469 10 0 CDAERP C[C@H](C[NH2+]CC1CCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001568993563 1169583429 /nfs/dbraw/zinc/58/34/29/1169583429.db2.gz IXFXRAXKLHLFEC-YRGRVCCFSA-N 2 0 267.417 1.221 10 0 CDAERP CC(C)(CNC(=O)CC[N@@H+]1CC[C@@H](F)C1)C[NH+]1CCCC1 ZINC001362606238 971448645 /nfs/dbraw/zinc/44/86/45/971448645.db2.gz JRDBINLBOYAYRX-CQSZACIVSA-N 2 0 299.434 1.659 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001480138080 971598112 /nfs/dbraw/zinc/59/81/12/971598112.db2.gz FBLLLUJGFNETCY-KJWHEZOQSA-N 2 0 281.444 1.610 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001569056647 1169620669 /nfs/dbraw/zinc/62/06/69/1169620669.db2.gz KLBPIWYTWITYHC-LSDHHAIUSA-N 2 0 281.444 1.920 10 0 CDAERP C[NH+](C)CCCCC(=O)NC1CCC([NH2+]CCF)CC1 ZINC001480410708 971707212 /nfs/dbraw/zinc/70/72/12/971707212.db2.gz UHJUOFJHSPSELL-UHFFFAOYSA-N 2 0 287.423 1.705 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)C1 ZINC001362917903 971726975 /nfs/dbraw/zinc/72/69/75/971726975.db2.gz VILYCDOGRGEYDV-ARFHVFGLSA-N 2 0 293.455 1.659 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C2([NH+](C)C)CCCC2)C1 ZINC001363030723 971826910 /nfs/dbraw/zinc/82/69/10/971826910.db2.gz LTWRUZLZBNNGBA-AWEZNQCLSA-N 2 0 281.444 1.802 10 0 CDAERP CC[N@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)CC[C@@H](C)F ZINC001493020689 971925619 /nfs/dbraw/zinc/92/56/19/971925619.db2.gz GPMNWIXSUSYOPV-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP O[C@H]1CCCC[C@H]1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001363208292 971979081 /nfs/dbraw/zinc/97/90/81/971979081.db2.gz UDGSRWDBECIQBL-HOCLYGCPSA-N 2 0 275.396 1.755 10 0 CDAERP C[NH+]1CCC[C@@H]1CN1C[C@]23C[N@@H+](C)C[C@@]2(C1)CCCC3 ZINC001364539297 954765746 /nfs/dbraw/zinc/76/57/46/954765746.db2.gz XXCJPNMDGDTFQC-ZACQAIPSSA-N 2 0 277.456 1.888 10 0 CDAERP [NH3+]C[C@@H]1CCc2ccccc2N1C[C@H]1CCC[NH2+]C1 ZINC001327595725 954953388 /nfs/dbraw/zinc/95/33/88/954953388.db2.gz BNXKWJKAQYGYNW-ZFWWWQNUSA-N 2 0 259.397 1.766 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)N2CC[NH2+][C@@H](C(C)C)C2)CC1 ZINC001363291302 972058578 /nfs/dbraw/zinc/05/85/78/972058578.db2.gz ZIKJLUNQOQWXKF-MRXNPFEDSA-N 2 0 295.471 1.811 10 0 CDAERP [NH3+]C[C@H](NC(=O)[C@@H]1CCCC[C@H]1[NH3+])C1CCCCC1 ZINC001327918785 955115401 /nfs/dbraw/zinc/11/54/01/955115401.db2.gz VRJRQUMNDJLWAV-MCIONIFRSA-N 2 0 267.417 1.528 10 0 CDAERP [NH3+]Cc1ccccc1CNC(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC001327960792 955133479 /nfs/dbraw/zinc/13/34/79/955133479.db2.gz LZIPXDNEKCIIQD-ZIAGYGMSSA-N 2 0 261.369 1.279 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001328344035 955270081 /nfs/dbraw/zinc/27/00/81/955270081.db2.gz TXBZSJNUHCQYBO-RRFJBIMHSA-N 2 0 281.444 1.777 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]C(C)C ZINC001491683832 955357257 /nfs/dbraw/zinc/35/72/57/955357257.db2.gz UWDQMBDXFAPLCW-OLZOCXBDSA-N 2 0 255.406 1.364 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCC ZINC001421636370 955445656 /nfs/dbraw/zinc/44/56/56/955445656.db2.gz NIGQZOSZJVHALG-GJZGRUSLSA-N 2 0 281.444 1.804 10 0 CDAERP COCC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001491834718 955459610 /nfs/dbraw/zinc/45/96/10/955459610.db2.gz MJKGFDOPIYRTMN-AWEZNQCLSA-N 2 0 299.459 1.049 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001491847361 955466438 /nfs/dbraw/zinc/46/64/38/955466438.db2.gz GQILPONWQJUIRY-CVEARBPZSA-N 2 0 293.455 1.733 10 0 CDAERP CC[C@H](C)C[NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001493694109 972101103 /nfs/dbraw/zinc/10/11/03/972101103.db2.gz CLFQPVBGNNJVPI-UONOGXRCSA-N 2 0 269.433 1.422 10 0 CDAERP COCCC[NH2+][C@H](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001492050793 955593282 /nfs/dbraw/zinc/59/32/82/955593282.db2.gz ZJCLACIFCIAPJA-CQSZACIVSA-N 2 0 297.443 1.136 10 0 CDAERP COCCC[NH2+]CCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001493761827 972112118 /nfs/dbraw/zinc/11/21/18/972112118.db2.gz NTHJCNPPOGFRJI-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[NH2+][C@H](CNC(=O)[C@H](C)C[NH+]1CCOCC1)C(C)C ZINC001422134759 955765695 /nfs/dbraw/zinc/76/56/95/955765695.db2.gz UVPCONVKFYRLKZ-HUUCEWRRSA-N 2 0 299.459 1.095 10 0 CDAERP CC(C)[N@@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)C[C@H](C)O ZINC001493863614 972128479 /nfs/dbraw/zinc/12/84/79/972128479.db2.gz DGUDTIDIYSYHLH-LSDHHAIUSA-N 2 0 299.459 1.068 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CCCF ZINC001317260761 955998128 /nfs/dbraw/zinc/99/81/28/955998128.db2.gz VYLULFCIUNKCOU-UONOGXRCSA-N 2 0 287.423 1.561 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@@H]2CCC[NH+]2C)C1 ZINC001363418163 972152394 /nfs/dbraw/zinc/15/23/94/972152394.db2.gz FMENAJJRBLLJFE-CABCVRRESA-N 2 0 281.444 1.659 10 0 CDAERP CC[C@H]1CCN(C(=[NH2+])NC[C@H]2CCC[N@H+](CC)C2)C1 ZINC001330273459 956354127 /nfs/dbraw/zinc/35/41/27/956354127.db2.gz DLTVRESLVBECDY-UONOGXRCSA-N 2 0 266.433 1.975 10 0 CDAERP CC[C@@H]1CCN(C(=[NH2+])NC[C@H]2CCC[N@H+](CC)C2)C1 ZINC001330273461 956354391 /nfs/dbraw/zinc/35/43/91/956354391.db2.gz DLTVRESLVBECDY-ZIAGYGMSSA-N 2 0 266.433 1.975 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001365971231 956478899 /nfs/dbraw/zinc/47/88/99/956478899.db2.gz AXTUWGKHAADLBL-CYBMUJFWSA-N 2 0 281.425 1.390 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH2+]C/C=C\Cl)C2)C1 ZINC001366097225 956562601 /nfs/dbraw/zinc/56/26/01/956562601.db2.gz DXEPPEDDERBWKJ-KZUJRYBGSA-N 2 0 285.819 1.271 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001366104640 956563745 /nfs/dbraw/zinc/56/37/45/956563745.db2.gz SXZHBFSMCKVEDY-AWEZNQCLSA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)[NH+](C)C ZINC001366138623 956595439 /nfs/dbraw/zinc/59/54/39/956595439.db2.gz ZGTIPBAYLHXXQA-DKUMPPAJSA-N 2 0 297.443 1.085 10 0 CDAERP C[C@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]C/C=C\Cl ZINC001423144281 956623449 /nfs/dbraw/zinc/62/34/49/956623449.db2.gz CBVJTWZAFJBFJK-FSMZVQOTSA-N 2 0 287.835 1.517 10 0 CDAERP CC[C@H](F)C[NH2+]C1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001366246852 956666177 /nfs/dbraw/zinc/66/61/77/956666177.db2.gz FNKNSCZCWIXFSZ-HSBZDZAISA-N 2 0 287.423 1.703 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]C/C=C/Cl ZINC001366313184 956731676 /nfs/dbraw/zinc/73/16/76/956731676.db2.gz BFKIIEJIKKVPJC-BAEOLTKYSA-N 2 0 273.808 1.318 10 0 CDAERP CC(C)C[N@H+](C)CCN(C(=O)[C@@H]1CCC[NH+]1C)C(C)C ZINC001423560509 956853798 /nfs/dbraw/zinc/85/37/98/956853798.db2.gz DYQBVPRMOMPNFA-HNNXBMFYSA-N 2 0 283.460 1.905 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001423575186 956868969 /nfs/dbraw/zinc/86/89/69/956868969.db2.gz NGVWSUDTDHGLMB-ZFWWWQNUSA-N 2 0 299.434 1.657 10 0 CDAERP C[C@H]1CCC[C@@H](CC[NH+]2CC(NC(=O)CC[NH+](C)C)C2)C1 ZINC001494441082 972233323 /nfs/dbraw/zinc/23/33/23/972233323.db2.gz FXRYEYKNQAUMAO-GJZGRUSLSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)CC1(C(=O)NCCC[N@H+](C)C/C=C\Cl)CC1 ZINC001316844674 957069411 /nfs/dbraw/zinc/06/94/11/957069411.db2.gz BAQMSQUFOKRMTP-YWEYNIOJSA-N 2 0 287.835 1.519 10 0 CDAERP CC[N@H+](CCCNC(=O)C[NH+]1CCC(C)CC1)C1CC1 ZINC001316925374 957129025 /nfs/dbraw/zinc/12/90/25/957129025.db2.gz MTUICNHFSDSLKD-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CCNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001366844135 957220041 /nfs/dbraw/zinc/22/00/41/957220041.db2.gz KNEUCJKOYHGCDM-LSDHHAIUSA-N 2 0 281.444 1.566 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CCNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001366844131 957221628 /nfs/dbraw/zinc/22/16/28/957221628.db2.gz KNEUCJKOYHGCDM-HUUCEWRRSA-N 2 0 281.444 1.566 10 0 CDAERP CCC[N@@H+]1CC[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001366850141 957224833 /nfs/dbraw/zinc/22/48/33/957224833.db2.gz GFVJHKZZSSYQAF-AWEZNQCLSA-N 2 0 279.428 1.320 10 0 CDAERP CO[C@@H](C)C[NH2+]C1(C)CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001424499960 957256389 /nfs/dbraw/zinc/25/63/89/957256389.db2.gz QXHUCIKHVROFIL-AWEZNQCLSA-N 2 0 299.459 1.332 10 0 CDAERP CC[C@@H](C)C[NH2+][C@@H](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001424596440 957282376 /nfs/dbraw/zinc/28/23/76/957282376.db2.gz CLOCRRXVXHLSII-KGLIPLIRSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]Cc1nccs1 ZINC001424815325 957368900 /nfs/dbraw/zinc/36/89/00/957368900.db2.gz GFIXDAQSTVGHGL-RYUDHWBXSA-N 2 0 298.456 1.468 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCCF)[C@@H]2C1 ZINC001332148680 957451400 /nfs/dbraw/zinc/45/14/00/957451400.db2.gz SFYSYCASKUEKBJ-ZNMIVQPWSA-N 2 0 299.434 1.514 10 0 CDAERP CC(C)OCC[N@H+](C)[C@@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001425056268 957459483 /nfs/dbraw/zinc/45/94/83/957459483.db2.gz LOPFVCYDVHDBLM-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@H](C(=O)N1C[C@H]([NH2+]CCCOC)C(C)(C)C1)[NH+](C)C ZINC001332388412 957542811 /nfs/dbraw/zinc/54/28/11/957542811.db2.gz PEPQGMCIXVJXEL-KGLIPLIRSA-N 2 0 299.459 1.190 10 0 CDAERP CCCCC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001317554178 957550083 /nfs/dbraw/zinc/55/00/83/957550083.db2.gz DNYIAJHJUQZQTL-OAHLLOKOSA-N 2 0 281.444 1.851 10 0 CDAERP CN(CC[NH2+]CCc1cccs1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001317662122 957630127 /nfs/dbraw/zinc/63/01/27/957630127.db2.gz UUAKUBUHFBKRET-CYBMUJFWSA-N 2 0 295.452 1.290 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001367200033 957840386 /nfs/dbraw/zinc/84/03/86/957840386.db2.gz IEQGBISLASUSFU-AJNGGQMLSA-N 2 0 299.434 1.703 10 0 CDAERP CC(C)=CC[NH2+]C1CC(N(C)C(=O)Cc2cncn2C)C1 ZINC001333140840 958103297 /nfs/dbraw/zinc/10/32/97/958103297.db2.gz JTMRQXHUYHKULB-UHFFFAOYSA-N 2 0 290.411 1.508 10 0 CDAERP CC[C@H](F)C[N@H+]1CC=C(CNC(=O)CC[NH+](C)C)CC1 ZINC001333392372 958307411 /nfs/dbraw/zinc/30/74/11/958307411.db2.gz VUPNWEYYIDVPFC-AWEZNQCLSA-N 2 0 285.407 1.435 10 0 CDAERP CC(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001367893959 958463615 /nfs/dbraw/zinc/46/36/15/958463615.db2.gz FNARZXUALWGBPH-HZPDHXFCSA-N 2 0 293.455 1.469 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[NH+](CC(C)C)C2 ZINC001368325745 958766933 /nfs/dbraw/zinc/76/69/33/958766933.db2.gz ISPQRPKNISKOTP-JYJNAYRXSA-N 2 0 295.471 1.953 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](CC)[NH2+]CC)C1 ZINC001495043344 972385810 /nfs/dbraw/zinc/38/58/10/972385810.db2.gz XWBJZACVKISTLX-KBPBESRZSA-N 2 0 269.433 1.613 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCCCC[C@H]([NH2+]CCF)C1 ZINC001368751194 959102443 /nfs/dbraw/zinc/10/24/43/959102443.db2.gz VAAJUJFWCRGVQP-AWEZNQCLSA-N 2 0 287.423 1.659 10 0 CDAERP CC[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CCC(C)C ZINC001495094374 972404200 /nfs/dbraw/zinc/40/42/00/972404200.db2.gz OTMBIUZOLGHOQB-CABCVRRESA-N 2 0 283.460 1.859 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]C(C)C ZINC001320438973 959174269 /nfs/dbraw/zinc/17/42/69/959174269.db2.gz IHZCIVQDCQXCLP-ZIAGYGMSSA-N 2 0 269.433 1.754 10 0 CDAERP CCC[NH2+]CC1(NC(=O)[C@H](CC)[NH+](C)C)CCCC1 ZINC001495202496 972436611 /nfs/dbraw/zinc/43/66/11/972436611.db2.gz GABZYENLIXVZIG-ZDUSSCGKSA-N 2 0 269.433 1.755 10 0 CDAERP O=C(NC/C=C\C[NH2+]C/C=C\Cl)C12CCC[NH+]1CCC2 ZINC001321141070 959614878 /nfs/dbraw/zinc/61/48/78/959614878.db2.gz KGCLCQBKJLIWBO-ALAIYQBLSA-N 2 0 297.830 1.629 10 0 CDAERP CCC(CC)C[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001321391760 959765412 /nfs/dbraw/zinc/76/54/12/959765412.db2.gz HSANACWXNWWJLS-LQYUOIDQSA-N 2 0 281.444 1.636 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccsc2)C1 ZINC001370405784 960084634 /nfs/dbraw/zinc/08/46/34/960084634.db2.gz RPHPLOZBJDPZEF-AWEZNQCLSA-N 2 0 295.452 1.780 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCC(C)C)C1 ZINC001370403005 960084689 /nfs/dbraw/zinc/08/46/89/960084689.db2.gz GNRJQENRJIKQFE-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001370829597 960210677 /nfs/dbraw/zinc/21/06/77/960210677.db2.gz HJEYAJLMNAORDV-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP CN(CCC[NH2+]CC1CCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001322831728 960335698 /nfs/dbraw/zinc/33/56/98/960335698.db2.gz NNYXDHPREZLSRE-AWEZNQCLSA-N 2 0 267.417 1.176 10 0 CDAERP Cc1cc(C[NH2+][C@H](C)CNC(=O)C[NH+]2CCCC2)sn1 ZINC001371466350 972523316 /nfs/dbraw/zinc/52/33/16/972523316.db2.gz CSKUHTLQMJXAQO-GFCCVEGCSA-N 2 0 296.440 1.142 10 0 CDAERP CC(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001418630842 960828145 /nfs/dbraw/zinc/82/81/45/960828145.db2.gz PFSKGHDEQNDAFB-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP CCN1CC[C@@H]1C(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1 ZINC001434045840 960925970 /nfs/dbraw/zinc/92/59/70/960925970.db2.gz OWRGEEUTERPBGX-LSDHHAIUSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001418705802 960926774 /nfs/dbraw/zinc/92/67/74/960926774.db2.gz PEBUSGNQBHJRDX-SHTZXODSSA-N 2 0 281.444 1.613 10 0 CDAERP CCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001419153315 961433823 /nfs/dbraw/zinc/43/38/23/961433823.db2.gz YZUZBBXVUUGNCU-HNNXBMFYSA-N 2 0 283.460 1.905 10 0 CDAERP CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001419163809 961453054 /nfs/dbraw/zinc/45/30/54/961453054.db2.gz PBBUFSJJPQQPBG-ZDUSSCGKSA-N 2 0 281.444 1.850 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1nccs1 ZINC001419279459 961577875 /nfs/dbraw/zinc/57/78/75/961577875.db2.gz GTWGDDPLBLYRBG-VXGBXAGGSA-N 2 0 296.440 1.079 10 0 CDAERP Cc1ncoc1C[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001419420700 961682058 /nfs/dbraw/zinc/68/20/58/961682058.db2.gz ZGIODFGOMCUBCB-JOCQHMNTSA-N 2 0 294.399 1.062 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccsc2)C1 ZINC001419431844 961696153 /nfs/dbraw/zinc/69/61/53/961696153.db2.gz MUYIDXIYNIRHGF-HDJSIYSDSA-N 2 0 295.452 1.825 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001419606732 961864162 /nfs/dbraw/zinc/86/41/62/961864162.db2.gz JGIBVCGIWZGRLH-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP COC[C@H](C)[NH2+]C[C@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001419625945 961879335 /nfs/dbraw/zinc/87/93/35/961879335.db2.gz QRZUPWBRKZSNFX-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP C[C@@H](C[NH2+]CC1CC1)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001419689419 961967230 /nfs/dbraw/zinc/96/72/30/961967230.db2.gz YUYMUKIBPDQIQP-AWEZNQCLSA-N 2 0 293.455 1.709 10 0 CDAERP CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1cnc(C)o1)[NH+](C)C ZINC001419741499 962057411 /nfs/dbraw/zinc/05/74/11/962057411.db2.gz VXUQYCKFMNTCBA-FZMZJTMJSA-N 2 0 296.415 1.260 10 0 CDAERP CC[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001419752338 962066840 /nfs/dbraw/zinc/06/68/40/962066840.db2.gz UCEMHSOHYFPHTL-ZIAGYGMSSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001436362542 962211698 /nfs/dbraw/zinc/21/16/98/962211698.db2.gz ANQOEAOLRVWXAV-OAGGEKHMSA-N 2 0 295.471 1.859 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2)C1 ZINC001420004692 962358459 /nfs/dbraw/zinc/35/84/59/962358459.db2.gz ZBWMUXPXWGALIH-INIZCTEOSA-N 2 0 289.423 1.576 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001436732226 962376897 /nfs/dbraw/zinc/37/68/97/962376897.db2.gz WUVFHPLHCJOJLD-AWEZNQCLSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]C/C=C/Cl)C2)CC[N@@H+]1C ZINC001436955354 962524150 /nfs/dbraw/zinc/52/41/50/962524150.db2.gz YZIDJDGMINRZHF-ZONHBABASA-N 2 0 285.819 1.316 10 0 CDAERP CCC(CC)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001436978218 962536506 /nfs/dbraw/zinc/53/65/06/962536506.db2.gz NUUIBGSVUWBEKR-KFWWJZLASA-N 2 0 281.444 1.611 10 0 CDAERP O[C@H](C[N@@H+]1CCCC2(CC[NH2+]CC2)C1)C(F)(F)F ZINC001339916166 962622161 /nfs/dbraw/zinc/62/21/61/962622161.db2.gz ZNWVWVHAJUUQPJ-SNVBAGLBSA-N 2 0 266.307 1.375 10 0 CDAERP C[C@H](CCNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CCF ZINC001437401625 962863285 /nfs/dbraw/zinc/86/32/85/962863285.db2.gz VIDRACHOOYOSNT-GFCCVEGCSA-N 2 0 273.396 1.315 10 0 CDAERP CC(C)C[N@H+](C)CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001437487615 962948791 /nfs/dbraw/zinc/94/87/91/962948791.db2.gz WORXHZNZEHBRRB-CABCVRRESA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)CC[N@H+](C)C[C@H](C)NC(=O)C[NH+](C)C(C)C ZINC001420677659 963176316 /nfs/dbraw/zinc/17/63/16/963176316.db2.gz PWUSPKIKTDLGDP-AWEZNQCLSA-N 2 0 271.449 1.809 10 0 CDAERP CC(C)[N@H+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)C1CC1 ZINC001437805703 963188947 /nfs/dbraw/zinc/18/89/47/963188947.db2.gz DRBMOZXCDZZICQ-GDBMZVCRSA-N 2 0 293.455 1.992 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CC1CC1)C1CC1 ZINC001420747013 963220417 /nfs/dbraw/zinc/22/04/17/963220417.db2.gz VUWMSVLPNKMVFM-HZPDHXFCSA-N 2 0 293.455 1.754 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CCCF)C1 ZINC001420990379 963406577 /nfs/dbraw/zinc/40/65/77/963406577.db2.gz OEZYCDCRPWREHA-CYBMUJFWSA-N 2 0 273.396 1.267 10 0 CDAERP CC[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC1CCC1 ZINC001438344483 963426395 /nfs/dbraw/zinc/42/63/95/963426395.db2.gz ZYEUROHGFKULEX-UKRRQHHQSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[NH2+]Cc1ocnc1C ZINC001438380858 963436176 /nfs/dbraw/zinc/43/61/76/963436176.db2.gz VEFRKCZJADSGMO-STQMWFEESA-N 2 0 296.415 1.308 10 0 CDAERP C[C@H](CNC(=O)[C@@]12CC[N@H+](C1)CCC2)C[NH2+]CC1CC1 ZINC001438554744 963484013 /nfs/dbraw/zinc/48/40/13/963484013.db2.gz YHFHBMIHYXDQJU-BBRMVZONSA-N 2 0 279.428 1.224 10 0 CDAERP CN(CC[N@H+](C)CCCF)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001438873024 963584412 /nfs/dbraw/zinc/58/44/12/963584412.db2.gz KINMORKEXUTPQF-AWEZNQCLSA-N 2 0 285.407 1.078 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+]Cc1ccsc1 ZINC001439263798 963694910 /nfs/dbraw/zinc/69/49/10/963694910.db2.gz CGCITBMOMOTUHL-LBPRGKRZSA-N 2 0 283.441 1.684 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ocnc2C)C1 ZINC001441360944 964476056 /nfs/dbraw/zinc/47/60/56/964476056.db2.gz NFNFLTMVJWDTFH-ZDUSSCGKSA-N 2 0 294.399 1.015 10 0 CDAERP CC[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCF)[NH+](C)C ZINC001441438476 964515592 /nfs/dbraw/zinc/51/55/92/964515592.db2.gz YQXIOGJLNKZOSB-WTUNAVPPSA-N 2 0 285.407 1.408 10 0 CDAERP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001441600170 964611658 /nfs/dbraw/zinc/61/16/58/964611658.db2.gz VZQBGKULIIATTG-KBPBESRZSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CC2)C1 ZINC001441904778 964777143 /nfs/dbraw/zinc/77/71/43/964777143.db2.gz WFMXDAJDOWERLK-GJZGRUSLSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@H](F)CC[NH2+][C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001441976821 964815030 /nfs/dbraw/zinc/81/50/30/964815030.db2.gz AJIMZCZJUUDAQR-KBPBESRZSA-N 2 0 287.423 1.561 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)CC[C@@H](C)F ZINC001442671371 965170427 /nfs/dbraw/zinc/17/04/27/965170427.db2.gz CBCLHQVNCJXPIH-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1CC[C@@H]1CCCO1 ZINC001442800067 965224957 /nfs/dbraw/zinc/22/49/57/965224957.db2.gz KZLQXUNRLXPMRK-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001443332135 965445746 /nfs/dbraw/zinc/44/57/46/965445746.db2.gz GYZHUUMCHZLIQW-BZUAXINKSA-N 2 0 293.455 1.659 10 0 CDAERP CC(C)C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)C ZINC001443419030 965462889 /nfs/dbraw/zinc/46/28/89/965462889.db2.gz JALZSQNEISBEHZ-KKUMJFAQSA-N 2 0 283.460 1.809 10 0 CDAERP O=C(CC[N@H+]1CC[C@H](F)C1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001444208502 965759953 /nfs/dbraw/zinc/75/99/53/965759953.db2.gz JLNRMUGDBVUBEY-LSDHHAIUSA-N 2 0 297.418 1.507 10 0 CDAERP CC[NH2+]C1(CC)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001447422837 966784208 /nfs/dbraw/zinc/78/42/08/966784208.db2.gz BGSGYQHLNGWDNO-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP C[NH2+][C@H](C)CCN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC001350955240 966809499 /nfs/dbraw/zinc/80/94/99/966809499.db2.gz IFGTVMXUOAQNSF-YUELXQCFSA-N 2 0 253.434 1.742 10 0 CDAERP COC/C(C)=C\C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC001351161759 966872277 /nfs/dbraw/zinc/87/22/77/966872277.db2.gz MNDBBEMFNCTYAE-UUASQNMZSA-N 2 0 269.433 1.148 10 0 CDAERP Cc1cccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CC[NH+](C)C)c1 ZINC001447914430 966927140 /nfs/dbraw/zinc/92/71/40/966927140.db2.gz ZNEHCYNAPCIESB-GJZGRUSLSA-N 2 0 291.439 1.930 10 0 CDAERP C[C@H]1CN(C[C@H](O)C[NH+]2CCCC2)CC2(CCCCC2)O1 ZINC000847097656 967028115 /nfs/dbraw/zinc/02/81/15/967028115.db2.gz MHJFCHKIUOKVQC-JKSUJKDBSA-N 2 0 296.455 1.867 10 0 CDAERP C[C@@H](F)CC[NH+]1CC([C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001448317361 967069669 /nfs/dbraw/zinc/06/96/69/967069669.db2.gz BSEYBXIMKFHMRS-CHWSQXEVSA-N 2 0 299.434 1.513 10 0 CDAERP C[NH+](C)CCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001538774887 967070449 /nfs/dbraw/zinc/07/04/49/967070449.db2.gz GBGKSARPNDIFPF-OLZOCXBDSA-N 2 0 255.406 1.175 10 0 CDAERP CC[C@@H](C)C[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001448786863 967254892 /nfs/dbraw/zinc/25/48/92/967254892.db2.gz ZFMLEHQVOCGCSX-KGLIPLIRSA-N 2 0 271.449 1.809 10 0 CDAERP C[NH+](C)[C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCCC2)C12CCC2 ZINC001454174405 968439604 /nfs/dbraw/zinc/43/96/04/968439604.db2.gz XKLYIZMTTMLJPS-KBPBESRZSA-N 2 0 293.455 1.850 10 0 CDAERP CC[N@@H+]1CC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC001465664284 969888218 /nfs/dbraw/zinc/88/82/18/969888218.db2.gz NWSWJSYEJHDANI-GJZGRUSLSA-N 2 0 279.428 1.271 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC001466010553 969913453 /nfs/dbraw/zinc/91/34/53/969913453.db2.gz GOXMGLUEDSZRAZ-AGIUHOORSA-N 2 0 267.417 1.316 10 0 CDAERP CCN(CC)[C@H](CNC1=[NH+]CCCCN1)c1ccco1 ZINC000849215412 969915702 /nfs/dbraw/zinc/91/57/02/969915702.db2.gz IAQJYZINDYHSLO-CYBMUJFWSA-N 2 0 278.400 1.992 10 0 CDAERP CCOCCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001569632774 1169944288 /nfs/dbraw/zinc/94/42/88/1169944288.db2.gz ZOCHUGXKEANCCO-HOCLYGCPSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@@]1(NC(=O)CC[N@@H+]2CC[C@@H](F)C2)C[NH+]2CCC1CC2 ZINC001469998486 970283701 /nfs/dbraw/zinc/28/37/01/970283701.db2.gz YAILYFOJHVTUCL-UKRRQHHQSA-N 2 0 283.391 1.021 10 0 CDAERP C[NH+](C)C1(C(=O)N2CCC([NH+]3CCC3)CC2)CCCC1 ZINC001470332018 970316872 /nfs/dbraw/zinc/31/68/72/970316872.db2.gz BRGDYGHHDLZXKV-UHFFFAOYSA-N 2 0 279.428 1.558 10 0 CDAERP CC(C)[C@H](C(=O)Nc1ccc2c[nH+]cn2c1)[NH+](C)C ZINC001472134352 970587886 /nfs/dbraw/zinc/58/78/86/970587886.db2.gz WRTOOGOAQYXOQV-CYBMUJFWSA-N 2 0 260.341 1.859 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)CCC(C)(C)C ZINC001372238541 972868407 /nfs/dbraw/zinc/86/84/07/972868407.db2.gz GUQPGBSLZZNKSI-UHFFFAOYSA-N 2 0 271.449 1.811 10 0 CDAERP CC(C)[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCF ZINC001496573885 972976509 /nfs/dbraw/zinc/97/65/09/972976509.db2.gz IHFNEPQYFBPIBX-CHWSQXEVSA-N 2 0 273.396 1.171 10 0 CDAERP CC(C)=CC[NH2+][C@@H](CNC(=O)CC[NH+](C)C)C(C)C ZINC001496599293 972984754 /nfs/dbraw/zinc/98/47/54/972984754.db2.gz XCJAOWTZOFPJGR-AWEZNQCLSA-N 2 0 269.433 1.635 10 0 CDAERP CC(C)[NH2+][C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)C ZINC001496604036 972985911 /nfs/dbraw/zinc/98/59/11/972985911.db2.gz XBWYVUJWCIMTED-ZIAGYGMSSA-N 2 0 269.433 1.467 10 0 CDAERP CC[C@H](F)C[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001372540133 973008142 /nfs/dbraw/zinc/00/81/42/973008142.db2.gz DHAGFBSLBJMEEK-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@H]1CCC[N@@H+]1CC1CCC1 ZINC001372562683 973019920 /nfs/dbraw/zinc/01/99/20/973019920.db2.gz CNZHPRYILAQLOP-OAHLLOKOSA-N 2 0 279.428 1.463 10 0 CDAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](C)CC[NH+](C)C)C1 ZINC001417600385 973184423 /nfs/dbraw/zinc/18/44/23/973184423.db2.gz MAODNBRDGCHINZ-GJZGRUSLSA-N 2 0 299.459 1.047 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+](C(C)C)C2)C1 ZINC001417619871 973205259 /nfs/dbraw/zinc/20/52/59/973205259.db2.gz INLJYYBINFDCGA-HZPDHXFCSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)CC[NH+]2CC[C@H](F)C2)C1 ZINC001417676154 973274137 /nfs/dbraw/zinc/27/41/37/973274137.db2.gz HGVOEVRHYQWNCB-GJZGRUSLSA-N 2 0 299.434 1.514 10 0 CDAERP CC[C@@H](C(=O)N(CC)CC[NH2+]Cc1ccns1)[NH+](C)C ZINC001497485817 973364419 /nfs/dbraw/zinc/36/44/19/973364419.db2.gz GSVXDIDFSDXCDN-ZDUSSCGKSA-N 2 0 298.456 1.421 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCC(C)C)[C@@H]1C ZINC001417849921 973416060 /nfs/dbraw/zinc/41/60/60/973416060.db2.gz AOMFUJXINDWSKD-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[NH+](C)CC(=O)N1CCC[C@@H](C[N@@H+](C)C(C)C)C1 ZINC001418025685 973537071 /nfs/dbraw/zinc/53/70/71/973537071.db2.gz WMQGPXYENFJXDA-HNNXBMFYSA-N 2 0 283.460 1.905 10 0 CDAERP C[N@H+](CC(=O)N[C@H]1C[C@@H]([NH2+]C/C=C\Cl)C1)C1CCC1 ZINC001418094236 973582077 /nfs/dbraw/zinc/58/20/77/973582077.db2.gz KKVAQOYWYPUQLF-KHQOXSAWSA-N 2 0 285.819 1.460 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001498151250 973714524 /nfs/dbraw/zinc/71/45/24/973714524.db2.gz SJDGVOQWGAIEKA-AWEZNQCLSA-N 2 0 299.459 1.238 10 0 CDAERP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccn1 ZINC001418305378 973739183 /nfs/dbraw/zinc/73/91/83/973739183.db2.gz ZSHOISNGRQAUET-UONOGXRCSA-N 2 0 290.411 1.018 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+]CC1CCCC1 ZINC001374113425 973779572 /nfs/dbraw/zinc/77/95/72/973779572.db2.gz YEQZQNAUJSZCHI-AWEZNQCLSA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001498248552 973780232 /nfs/dbraw/zinc/78/02/32/973780232.db2.gz SSTUDVUOONESNK-OLZOCXBDSA-N 2 0 255.406 1.173 10 0 CDAERP C[C@H](C[NH2+]Cc1ccsc1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001374329196 973892729 /nfs/dbraw/zinc/89/27/29/973892729.db2.gz XKBMFZRBPGJMQW-TZMCWYRMSA-N 2 0 295.452 1.636 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH2+]CCCO ZINC001498622114 974000851 /nfs/dbraw/zinc/00/08/51/974000851.db2.gz SHYLWJUHRXZRFV-HNNXBMFYSA-N 2 0 299.459 1.070 10 0 CDAERP CC(C)(C(=O)N[C@@H](C[NH2+]CCF)C1CC1)[NH+]1CCCCC1 ZINC001498761432 974052520 /nfs/dbraw/zinc/05/25/20/974052520.db2.gz RVZNBZAWAHXRPN-AWEZNQCLSA-N 2 0 299.434 1.705 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]Cc1ccccn1)C1CC1 ZINC001498815410 974068561 /nfs/dbraw/zinc/06/85/61/974068561.db2.gz CHCYNCJLCRERPG-HNNXBMFYSA-N 2 0 290.411 1.018 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(CC)CC[NH2+][C@H](C)COC)CC[N@@H+]1C ZINC001374714974 974076653 /nfs/dbraw/zinc/07/66/53/974076653.db2.gz XYTCQUFBGVGOTQ-QLFBSQMISA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001374981708 974199925 /nfs/dbraw/zinc/19/99/25/974199925.db2.gz JLPICXAJGAJGPC-KBPBESRZSA-N 2 0 287.423 1.705 10 0 CDAERP CC[C@H](F)C[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001499351444 974241673 /nfs/dbraw/zinc/24/16/73/974241673.db2.gz AVTRRLKXHHATGE-OLZOCXBDSA-N 2 0 285.407 1.315 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]CCC(C)(C)C)CC2)C1 ZINC001499448789 974257171 /nfs/dbraw/zinc/25/71/71/974257171.db2.gz RYELILFCDZNUEK-CYBMUJFWSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@@H](C[N@H+](C)CCC(C)(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001375136523 974273815 /nfs/dbraw/zinc/27/38/15/974273815.db2.gz TVMVQNZIUPULKP-AWEZNQCLSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](F)CC[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001375440300 974381732 /nfs/dbraw/zinc/38/17/32/974381732.db2.gz ZVXJCFYJNLSFJK-CYBMUJFWSA-N 2 0 297.418 1.601 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001375531196 974415761 /nfs/dbraw/zinc/41/57/61/974415761.db2.gz QTOTWRCBYMQWPJ-CHWSQXEVSA-N 2 0 287.423 1.559 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](C[C@H](F)CC)C1 ZINC001376153583 974587478 /nfs/dbraw/zinc/58/74/78/974587478.db2.gz OLXDTCWTWHKJRJ-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)C[NH+]1CCC2(C[C@H]2NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001376183179 974594435 /nfs/dbraw/zinc/59/44/35/974594435.db2.gz YQLXCVVSHIBEAX-OAHLLOKOSA-N 2 0 295.471 1.953 10 0 CDAERP CC[N@@H+]1CCC[C@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001376507577 974677958 /nfs/dbraw/zinc/67/79/58/974677958.db2.gz GQNGQUGZAGCDBL-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP COC[C@@H](C)[NH2+]CC[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001376558524 974687076 /nfs/dbraw/zinc/68/70/76/974687076.db2.gz DDZWCLMIZMHGNF-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP CCOCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001503015458 974809070 /nfs/dbraw/zinc/80/90/70/974809070.db2.gz UDONMDMQGGVXME-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CCC[N@H+](C)CCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001376940393 974825559 /nfs/dbraw/zinc/82/55/59/974825559.db2.gz SPYHMKUKEJCVHF-HNNXBMFYSA-N 2 0 281.444 1.519 10 0 CDAERP CC(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001505705292 974969486 /nfs/dbraw/zinc/96/94/86/974969486.db2.gz HDRJSIWLCGGJHK-ZIAGYGMSSA-N 2 0 283.460 1.857 10 0 CDAERP CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](CC2CCCC2)C1)[NH+](C)C ZINC001377472934 975041865 /nfs/dbraw/zinc/04/18/65/975041865.db2.gz YIHZLCKUAWFQQM-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)[C@H](C)[NH2+]CCO ZINC001377815583 975146584 /nfs/dbraw/zinc/14/65/84/975146584.db2.gz HQNALCXBMHOVJX-UONOGXRCSA-N 2 0 299.459 1.116 10 0 CDAERP CC(C)C[NH2+][C@@H](C)[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001377872541 975162020 /nfs/dbraw/zinc/16/20/20/975162020.db2.gz MHTQIKQANMRBSU-UONOGXRCSA-N 2 0 299.459 1.236 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)C1C[NH+](CC2CC2)C1 ZINC001506680264 975202275 /nfs/dbraw/zinc/20/22/75/975202275.db2.gz RUCGKAWSQKECIJ-GFCCVEGCSA-N 2 0 267.417 1.173 10 0 CDAERP CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001378140201 975257718 /nfs/dbraw/zinc/25/77/18/975257718.db2.gz AYIQKYBCPODGNC-ZIAGYGMSSA-N 2 0 287.423 1.609 10 0 CDAERP CCC[NH2+][C@H](C)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001507148202 975355135 /nfs/dbraw/zinc/35/51/35/975355135.db2.gz LDRXELZEKKJYOG-OLZOCXBDSA-N 2 0 255.406 1.175 10 0 CDAERP CCC[NH+]1CCC(CCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001378482488 975361435 /nfs/dbraw/zinc/36/14/35/975361435.db2.gz ITNBJKNCHCGHNJ-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001507289517 975399442 /nfs/dbraw/zinc/39/94/42/975399442.db2.gz KAVWQAJCPOBBKH-CABCVRRESA-N 2 0 295.471 1.953 10 0 CDAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]Cc1ccns1 ZINC001378640251 975424859 /nfs/dbraw/zinc/42/48/59/975424859.db2.gz HAEACBMPBRXFMB-GFCCVEGCSA-N 2 0 296.440 1.081 10 0 CDAERP CC1CC(C[NH2+][C@H]2C[C@@H](CNC(=O)C[NH+]3CCCC3)C2)C1 ZINC001397095134 975460504 /nfs/dbraw/zinc/46/05/04/975460504.db2.gz HDCDCJMRBPEHAC-STONLHKKSA-N 2 0 293.455 1.613 10 0 CDAERP Cc1nocc1C[NH2+]C[C@@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001401151582 975483336 /nfs/dbraw/zinc/48/33/36/975483336.db2.gz HGKFNHKPRVXYJO-GFCCVEGCSA-N 2 0 296.415 1.165 10 0 CDAERP COCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001397266714 975521262 /nfs/dbraw/zinc/52/12/62/975521262.db2.gz DGCNNNYXKAYVEP-HNNXBMFYSA-N 2 0 297.443 1.042 10 0 CDAERP CC(C)CC[NH+]1CC(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001404927626 975543736 /nfs/dbraw/zinc/54/37/36/975543736.db2.gz IXZHOWBMXNAWSE-GASCZTMLSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCF ZINC001378963629 975567231 /nfs/dbraw/zinc/56/72/31/975567231.db2.gz GEQLKIBPTGQQSO-CHWSQXEVSA-N 2 0 273.396 1.171 10 0 CDAERP CC(C)[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC1CCC1 ZINC001379003201 975589114 /nfs/dbraw/zinc/58/91/14/975589114.db2.gz XGTONTIYFFOYDV-OAHLLOKOSA-N 2 0 293.455 1.613 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001401360520 975614238 /nfs/dbraw/zinc/61/42/38/975614238.db2.gz ZVPNBLWPBXVGTC-OLZOCXBDSA-N 2 0 273.396 1.219 10 0 CDAERP CC[C@H](C[N@H+]1CC=C(CNC(=O)CC[NH+](C)C)CC1)OC ZINC001508218718 975644077 /nfs/dbraw/zinc/64/40/77/975644077.db2.gz BZQVTDLRIBLDIA-OAHLLOKOSA-N 2 0 297.443 1.111 10 0 CDAERP CCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@@H+]([C@H](C)COC)C1 ZINC001405186086 975664258 /nfs/dbraw/zinc/66/42/58/975664258.db2.gz ADJOFOYTMLAQAX-CABCVRRESA-N 2 0 299.459 1.284 10 0 CDAERP CC(C)[NH2+]CC[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001405498085 975759480 /nfs/dbraw/zinc/75/94/80/975759480.db2.gz YSFOYLDAZTXZPS-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)OCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001401745296 975871854 /nfs/dbraw/zinc/87/18/54/975871854.db2.gz ATNYAAFPGQMIHY-RRFJBIMHSA-N 2 0 299.459 1.188 10 0 CDAERP CC(C)CCC[N@@H+]1CCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001405914457 975934437 /nfs/dbraw/zinc/93/44/37/975934437.db2.gz USTOLEARJQQGQV-OAHLLOKOSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@@H+](C)CC[C@@H](C)F ZINC001401827329 975939725 /nfs/dbraw/zinc/93/97/25/975939725.db2.gz PFFHYUPWNPWQNA-OLZOCXBDSA-N 2 0 275.412 1.511 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CC12CC[NH+](CCF)CC2)[NH+](C)C ZINC001398366243 975956263 /nfs/dbraw/zinc/95/62/63/975956263.db2.gz RDENCWTWOQIDFC-OLZOCXBDSA-N 2 0 285.407 1.267 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@H]([NH2+]C/C=C/Cl)C(C)(C)C1 ZINC001379722005 976032244 /nfs/dbraw/zinc/03/22/44/976032244.db2.gz ZSUYRGBWLPMHTA-PZBABLGHSA-N 2 0 287.835 1.517 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CC2CCC2)CCN1C(=O)CC[NH+](C)C ZINC001402055052 976102249 /nfs/dbraw/zinc/10/22/49/976102249.db2.gz RLVMPFCBKUIKJK-HIFRSBDPSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]C/C=C\Cl)CCN1C(=O)C[NH+]1CCCC1 ZINC001402063458 976104841 /nfs/dbraw/zinc/10/48/41/976104841.db2.gz PENAJWYUICNEDR-GNXSNYGWSA-N 2 0 299.846 1.804 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CC[C@](C)(NC(=O)Cn2ccnc2)C1 ZINC001402128486 976135514 /nfs/dbraw/zinc/13/55/14/976135514.db2.gz PRLIRYUFPZQWFJ-OCCSQVGLSA-N 2 0 282.363 1.212 10 0 CDAERP CC(C)[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001402156781 976153213 /nfs/dbraw/zinc/15/32/13/976153213.db2.gz DBBYHJLAKAUABS-GOEBONIOSA-N 2 0 281.444 1.707 10 0 CDAERP CO[C@H](C)C[N@H+](C)CCN(C(=O)[C@H]1CCC[NH+]1C)C(C)C ZINC001380013149 976188086 /nfs/dbraw/zinc/18/80/86/976188086.db2.gz RJXYGKZGGDOQGS-HUUCEWRRSA-N 2 0 299.459 1.284 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1CC[C@H]1CCCCO1 ZINC001380017397 976190307 /nfs/dbraw/zinc/19/03/07/976190307.db2.gz RVLOLJAFFVQKBZ-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@H](C(=O)NC[C@H]1CC[N@@H+]1CC1CC1)[NH+]1CCCCCC1 ZINC001380018493 976191000 /nfs/dbraw/zinc/19/10/00/976191000.db2.gz XGNLHWZIGAHNOR-GDBMZVCRSA-N 2 0 293.455 1.851 10 0 CDAERP CC(C)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001380130590 976254947 /nfs/dbraw/zinc/25/49/47/976254947.db2.gz JXHJBRPHMYVOEO-KBPBESRZSA-N 2 0 281.444 1.611 10 0 CDAERP CC[C@@H](C[NH+]1CCC(C)(NC(=O)CC[NH+](C)C)CC1)OC ZINC001380308130 976342716 /nfs/dbraw/zinc/34/27/16/976342716.db2.gz WMZBPZSODOLCOG-AWEZNQCLSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cncs1 ZINC001399128914 976356005 /nfs/dbraw/zinc/35/60/05/976356005.db2.gz XEJWLNOMKJPBPL-NWDGAFQWSA-N 2 0 296.440 1.079 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001402609477 976391932 /nfs/dbraw/zinc/39/19/32/976391932.db2.gz MTAAHNNJGYGGLC-BNOWGMLFSA-N 2 0 285.407 1.313 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1CC[C@@H](C)F ZINC001406881914 976447347 /nfs/dbraw/zinc/44/73/47/976447347.db2.gz HYZFSULJQSBKMY-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NCC[C@H](C)[NH2+]Cc1nccs1 ZINC001402863973 976545507 /nfs/dbraw/zinc/54/55/07/976545507.db2.gz VNWOACOTPOGIRY-LBPRGKRZSA-N 2 0 298.456 1.468 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001380792280 976550863 /nfs/dbraw/zinc/55/08/63/976550863.db2.gz STKLGEFOHAFZRF-SHTZXODSSA-N 2 0 283.460 1.859 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CCC1 ZINC001380877528 976588654 /nfs/dbraw/zinc/58/86/54/976588654.db2.gz OAZFUKIMDHCGAB-KGLIPLIRSA-N 2 0 299.434 1.847 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC[N@H+](C)CCCF)C1 ZINC001399639095 976614483 /nfs/dbraw/zinc/61/44/83/976614483.db2.gz IQHNMNYFGSYJOX-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CC[C@H](C)F ZINC001399826643 976694229 /nfs/dbraw/zinc/69/42/29/976694229.db2.gz MLSBJEGCOICVFT-QWHCGFSZSA-N 2 0 273.396 1.124 10 0 CDAERP C[C@@H]1[C@H](C(=O)NCC[C@H]2CC[NH+](CCCF)C2)CC[N@@H+]1C ZINC001391294189 976800708 /nfs/dbraw/zinc/80/07/08/976800708.db2.gz IAHVOJYMRNXBBR-QLFBSQMISA-N 2 0 299.434 1.514 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H](C)C1C[NH+](CC)C1 ZINC001403303502 976868313 /nfs/dbraw/zinc/86/83/13/976868313.db2.gz NEFWVLIBHKLXCU-DGCLKSJQSA-N 2 0 273.396 1.123 10 0 CDAERP C[C@@H]1[C@H](C(=O)NCC[C@H]2CC[NH+](CCF)C2)CC[N@@H+]1C ZINC001400165324 976903630 /nfs/dbraw/zinc/90/36/30/976903630.db2.gz SLWCGDNEULBJCV-HZSPNIEDSA-N 2 0 285.407 1.124 10 0 CDAERP CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001403383385 976925767 /nfs/dbraw/zinc/92/57/67/976925767.db2.gz HHZWTAFLKXGYAZ-FPCVCCKLSA-N 2 0 293.455 1.565 10 0 CDAERP CC[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001381867624 977061509 /nfs/dbraw/zinc/06/15/09/977061509.db2.gz CVHCERDEOHYEBR-ZIAGYGMSSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCC1CC1 ZINC001403556921 977063951 /nfs/dbraw/zinc/06/39/51/977063951.db2.gz MDEFVCKQIDQLGM-GZBFAFLISA-N 2 0 281.444 1.563 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[N@H+](CCCF)CC1(C)C)[NH+](C)C ZINC001381879986 977065963 /nfs/dbraw/zinc/06/59/63/977065963.db2.gz UVJZRCDJJHSDQE-STQMWFEESA-N 2 0 287.423 1.513 10 0 CDAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]Cc1cncs1 ZINC001391956386 977162093 /nfs/dbraw/zinc/16/20/93/977162093.db2.gz FIXNQAJVWXDMSJ-GFCCVEGCSA-N 2 0 296.440 1.081 10 0 CDAERP CC1(C)CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1[NH2+]CCF ZINC001403845226 977228197 /nfs/dbraw/zinc/22/81/97/977228197.db2.gz YKAUCDQUMJRYIA-AWEZNQCLSA-N 2 0 299.434 1.659 10 0 CDAERP CC[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]Cc1cncs1 ZINC001400932052 977248997 /nfs/dbraw/zinc/24/89/97/977248997.db2.gz ZTTWBSSYTKPEOX-GFCCVEGCSA-N 2 0 298.456 1.468 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1[NH+](CC1CC1)CC2 ZINC001382324535 977252881 /nfs/dbraw/zinc/25/28/81/977252881.db2.gz AULJBJVCCRUGMG-WBVHZDCISA-N 2 0 293.455 1.851 10 0 CDAERP CO[C@H](C)C[NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCCC1 ZINC001400974022 977256997 /nfs/dbraw/zinc/25/69/97/977256997.db2.gz QXCAUYYILDAHSR-CQSZACIVSA-N 2 0 297.443 1.136 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N[C@@H](C[NH2+]CC2CC2)C(C)(C)C)C1 ZINC001382532960 977301966 /nfs/dbraw/zinc/30/19/66/977301966.db2.gz LTIPIXOJKNBXGV-ZFWWWQNUSA-N 2 0 295.471 1.859 10 0 CDAERP CC[C@H](F)C[N@@H+]1CCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001404020720 977309396 /nfs/dbraw/zinc/30/93/96/977309396.db2.gz WTRBMFMUASKQJM-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP Cc1ccc(C[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C)cc1C ZINC001392590498 977496102 /nfs/dbraw/zinc/49/61/02/977496102.db2.gz GINCATFNYNMPDQ-HNNXBMFYSA-N 2 0 291.439 1.849 10 0 CDAERP CC(C)C[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001392619510 977506338 /nfs/dbraw/zinc/50/63/38/977506338.db2.gz QQJYEQWBNWQBPI-LSDHHAIUSA-N 2 0 283.460 1.857 10 0 CDAERP CC(C)(C)CC[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001392948254 977660908 /nfs/dbraw/zinc/66/09/08/977660908.db2.gz JXCXNQNTDBFUHW-UHFFFAOYSA-N 2 0 293.455 1.757 10 0 CDAERP CC(C)C[N@H+](C)[C@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001394071307 978048967 /nfs/dbraw/zinc/04/89/67/978048967.db2.gz AHRSJFMESCDESN-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000810188533 1163178832 /nfs/dbraw/zinc/17/88/32/1163178832.db2.gz LWYQJFSHENCUJE-DOMZBBRYSA-N 2 0 285.407 1.409 10 0 CDAERP CCCC[NH2+][C@@H](C)[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001674747661 1174003008 /nfs/dbraw/zinc/00/30/08/1174003008.db2.gz JMNKKXJBTAKLGZ-UONOGXRCSA-N 2 0 299.459 1.380 10 0 CDAERP C[NH+]1CCC(C(=O)N[C@H]2C[C@H](C[NH2+]CCC3CC3)C2)CC1 ZINC001675785697 1174148531 /nfs/dbraw/zinc/14/85/31/1174148531.db2.gz KLYWPXGJDTZKAR-KOMQPUFPSA-N 2 0 293.455 1.613 10 0 CDAERP CCCC[N@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001570539851 1170182696 /nfs/dbraw/zinc/18/26/96/1170182696.db2.gz HADPHXREQKNBJV-CQSZACIVSA-N 2 0 269.433 1.661 10 0 CDAERP CCC[N@H+](C)[C@@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001570747720 1170266300 /nfs/dbraw/zinc/26/63/00/1170266300.db2.gz LEEKIWBJROBGIP-STQMWFEESA-N 2 0 255.406 1.175 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@H](C[NH2+]CCF)C(C)(C)C)C1 ZINC001571633119 1170503097 /nfs/dbraw/zinc/50/30/97/1170503097.db2.gz IQONYWKSDNNDHQ-CHWSQXEVSA-N 2 0 287.423 1.418 10 0 CDAERP CC[N@H+]1CC=C(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001571688829 1170524311 /nfs/dbraw/zinc/52/43/11/1170524311.db2.gz ADUAGGNBACNRIP-AWEZNQCLSA-N 2 0 267.417 1.341 10 0 CDAERP C[NH+](C)C[C@@H]1CC[N@H+](CC2(O)CCCCCC2)C1 ZINC001654112718 1171593002 /nfs/dbraw/zinc/59/30/02/1171593002.db2.gz GTGOGXARFQYZJF-AWEZNQCLSA-N 2 0 254.418 1.955 10 0 CDAERP CC(C)(C)OC(=O)COCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000601145565 342481310 /nfs/dbraw/zinc/48/13/10/342481310.db2.gz YDXOAHOLEQMTEY-ZIAGYGMSSA-N 2 0 298.427 1.561 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)C1 ZINC000618556318 349482944 /nfs/dbraw/zinc/48/29/44/349482944.db2.gz ANBQYNBGJDJSIW-MJBXVCDLSA-N 2 0 280.416 1.007 10 0 CDAERP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650708880 398154195 /nfs/dbraw/zinc/15/41/95/398154195.db2.gz SADVSEHNMLJMLY-YHUYYLMFSA-N 3 0 283.460 1.578 10 0 CDAERP Cc1nc2ccccn2c1C[NH2+]CCC1(C[NH3+])CC1 ZINC000650712351 398154807 /nfs/dbraw/zinc/15/48/07/398154807.db2.gz BGVQUNKVJZXXRD-UHFFFAOYSA-N 2 0 258.369 1.861 10 0 CDAERP [NH3+]CC1(CC[NH2+]C2CCN(c3nccs3)CC2)CC1 ZINC000650713212 398155388 /nfs/dbraw/zinc/15/53/88/398155388.db2.gz KAFOUWVUULDRPN-UHFFFAOYSA-N 2 0 280.441 1.831 10 0 CDAERP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C(C)C)C1(CO)CC=CC1 ZINC000653777616 539086272 /nfs/dbraw/zinc/08/62/72/539086272.db2.gz QJXKYYLHKWDUSM-GJZGRUSLSA-N 2 0 284.444 1.242 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000232641925 342031759 /nfs/dbraw/zinc/03/17/59/342031759.db2.gz GIJHWAFBCLRCAS-KBPBESRZSA-N 2 0 281.444 1.611 10 0 CDAERP CN(CC1CC[NH+](C)CC1)C(=O)c1c[nH+]ccc1N ZINC000127724386 342067965 /nfs/dbraw/zinc/06/79/65/342067965.db2.gz APZCXWMPAJRQDV-UHFFFAOYSA-N 2 0 262.357 1.078 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000617013678 342604945 /nfs/dbraw/zinc/60/49/45/342604945.db2.gz YWTOWWNFEJEXQU-NWDGAFQWSA-N 2 0 253.390 1.070 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC000617003339 342600908 /nfs/dbraw/zinc/60/09/08/342600908.db2.gz ZVSTZRVITZIXDQ-KBPBESRZSA-N 2 0 281.444 1.565 10 0 CDAERP C[NH+]1CCN([C@H](C[NH3+])c2ccc(F)c(Cl)c2)CC1 ZINC000083264121 178376633 /nfs/dbraw/zinc/37/66/33/178376633.db2.gz HLZKILJRRLWLHX-CYBMUJFWSA-N 2 0 271.767 1.726 10 0 CDAERP CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000616620619 342119254 /nfs/dbraw/zinc/11/92/54/342119254.db2.gz JFPOKASOKCJUTB-GFCCVEGCSA-N 2 0 271.405 1.572 10 0 CDAERP C[N@@H+]1CCC[C@@]2(CC[NH+](CCOC3CCOCC3)C2)C1 ZINC000625448802 342167572 /nfs/dbraw/zinc/16/75/72/342167572.db2.gz RPERWXBWQSZGBS-MRXNPFEDSA-N 2 0 282.428 1.600 10 0 CDAERP C[NH2+]Cc1ccccc1C[NH2+]Cc1ccc(C(=O)OC)[nH]1 ZINC000593319336 342788133 /nfs/dbraw/zinc/78/81/33/342788133.db2.gz VIWAQMJIKYPESC-UHFFFAOYSA-N 2 0 287.363 1.811 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)CCc1cccc(F)c1 ZINC000629392401 361909254 /nfs/dbraw/zinc/90/92/54/361909254.db2.gz MUXSDVZGSNDPTQ-CYBMUJFWSA-N 2 0 268.376 1.972 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H]1CCc2ccc(OC)cc2C1 ZINC000629391783 361918867 /nfs/dbraw/zinc/91/88/67/361918867.db2.gz DJKMKELBCDJFRG-HNNXBMFYSA-N 2 0 278.396 1.378 10 0 CDAERP C[N@@H+]1CCCC[C@H](CNC(=O)N2CC[NH+]3CCC2CC3)C1 ZINC000624611609 342205491 /nfs/dbraw/zinc/20/54/91/342205491.db2.gz WYPZVDWEJAXSTL-CQSZACIVSA-N 2 0 294.443 1.208 10 0 CDAERP COc1cc(C[NH2+]CCOCCC[NH3+])cc(OC)c1 ZINC000629397823 361929246 /nfs/dbraw/zinc/92/92/46/361929246.db2.gz DHSWLZDNCBLUOC-UHFFFAOYSA-N 2 0 268.357 1.159 10 0 CDAERP Cn1c(C[NH2+]CCOCCC[NH3+])nc2ccccc21 ZINC000629398312 361931731 /nfs/dbraw/zinc/93/17/31/361931731.db2.gz AOJZWOHZKSZNSA-UHFFFAOYSA-N 2 0 262.357 1.028 10 0 CDAERP CC(C)Oc1ccc(C[NH2+]CCOCCC[NH3+])cc1 ZINC000629399360 361935628 /nfs/dbraw/zinc/93/56/28/361935628.db2.gz QUHVSIFKCMLIFL-UHFFFAOYSA-N 2 0 266.385 1.929 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000629399889 361936878 /nfs/dbraw/zinc/93/68/78/361936878.db2.gz YGZMIDLGJGFEJO-UHFFFAOYSA-N 2 0 260.740 1.934 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)Cc1ccccc1C ZINC000629404898 361946588 /nfs/dbraw/zinc/94/65/88/361946588.db2.gz SSKIQDVRUAKUMP-AWEZNQCLSA-N 2 0 250.386 1.752 10 0 CDAERP C[C@@H]1NC(=O)CC[C@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000440940678 361950129 /nfs/dbraw/zinc/95/01/29/361950129.db2.gz IBOIBKLNIFGTCK-QWHCGFSZSA-N 2 0 253.390 1.119 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CC[NH2+]C1CC1 ZINC000092630186 342234443 /nfs/dbraw/zinc/23/44/43/342234443.db2.gz OOPPEVOOQWITAF-ZDUSSCGKSA-N 2 0 253.390 1.071 10 0 CDAERP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000353517953 539098275 /nfs/dbraw/zinc/09/82/75/539098275.db2.gz LAZJJLCFOGUFQQ-ILXRZTDVSA-N 2 0 253.434 1.647 10 0 CDAERP C[C@@H](CSCCF)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000595010032 342990297 /nfs/dbraw/zinc/99/02/97/342990297.db2.gz FLNFYMMVZLQIFW-STQMWFEESA-N 2 0 277.453 1.303 10 0 CDAERP C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000250342686 282199579 /nfs/dbraw/zinc/19/95/79/282199579.db2.gz DFHNGDNPFGXQCD-MQYQWHSLSA-N 2 0 265.401 1.070 10 0 CDAERP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1NC1C[C@H]3CC[C@@H](C1)[N@H+]3C)[NH2+]2 ZINC000709380732 781921512 /nfs/dbraw/zinc/92/15/12/781921512.db2.gz DLSMPLUCDBQRAF-XJMBUFLLSA-N 2 0 263.429 1.730 10 0 CDAERP CN(C[C@H](O)C[N@@H+]1CCCC2(CC2)CC1)C1CC1 ZINC000626114948 342357274 /nfs/dbraw/zinc/35/72/74/342357274.db2.gz ACIIRPQNTPIXCT-AWEZNQCLSA-N 2 0 252.402 1.708 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@]1(C)COc2ccccc2O1 ZINC000629512471 362123961 /nfs/dbraw/zinc/12/39/61/362123961.db2.gz BAJYLUHUAPYCHD-ZOWXZIJZSA-N 2 0 264.369 1.932 10 0 CDAERP CC[NH2+]CC1CC[NH+](Cc2cncc(OC)n2)CC1 ZINC000629513937 362128088 /nfs/dbraw/zinc/12/80/88/362128088.db2.gz NNQISFYQFMKQSO-UHFFFAOYSA-N 2 0 264.373 1.307 10 0 CDAERP [NH3+]C1(C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)CCOCC1 ZINC000629520086 362140220 /nfs/dbraw/zinc/14/02/20/362140220.db2.gz KHHDOXJAHYXVCD-QLFBSQMISA-N 2 0 282.428 1.679 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+]CCOCC[NH2+]C)C12CCCCC2 ZINC000629529630 362158972 /nfs/dbraw/zinc/15/89/72/362158972.db2.gz IXQXABQTIPXEAF-LSDHHAIUSA-N 2 0 284.444 1.940 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1sccc1OC ZINC000629530902 362160414 /nfs/dbraw/zinc/16/04/14/362160414.db2.gz UVPNHYOPUUEWEF-JTQLQIEISA-N 2 0 258.387 1.643 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000629530982 362160606 /nfs/dbraw/zinc/16/06/06/362160606.db2.gz WRXWUUALNJAZAU-RRFJBIMHSA-N 2 0 270.417 1.407 10 0 CDAERP CC(C)[C@H](NC[C@H](O)C[NH+]1CCCC1)c1cccnc1 ZINC000091306345 342402819 /nfs/dbraw/zinc/40/28/19/342402819.db2.gz JNSFSBSLANUJHD-HOTGVXAUSA-N 2 0 277.412 1.825 10 0 CDAERP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC23CC(C2)C[NH2+]3)[C@@H]1C ZINC000596651996 343371393 /nfs/dbraw/zinc/37/13/93/343371393.db2.gz DWPGHPASUFEYQH-FOVPLOTGSA-N 2 0 266.385 1.306 10 0 CDAERP CCC(CC)[C@H](CN[C@@H](C)[C@H]1CC[NH2+]C1)[NH+](C)C ZINC000400330253 282276694 /nfs/dbraw/zinc/27/66/94/282276694.db2.gz BRHIYPNFFVKMCU-QEJZJMRPSA-N 2 0 255.450 1.940 10 0 CDAERP O=C(CCC1CC[NH2+]CC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000263210882 362256988 /nfs/dbraw/zinc/25/69/88/362256988.db2.gz KHLVOYMKXRJKBG-AWEZNQCLSA-N 2 0 265.401 1.119 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000257654431 344369964 /nfs/dbraw/zinc/36/99/64/344369964.db2.gz CBAGZINCJXZBRL-CHWSQXEVSA-N 2 0 253.390 1.119 10 0 CDAERP CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000571389071 362486876 /nfs/dbraw/zinc/48/68/76/362486876.db2.gz TTWHAEMFBYTDLR-JKSUJKDBSA-N 2 0 298.471 1.608 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)[C@H]1CC[C@H]([NH3+])C1)C1CCCCC1 ZINC000262676437 344697274 /nfs/dbraw/zinc/69/72/74/344697274.db2.gz SDKGYTLTFWQCNU-SOUVJXGZSA-N 2 0 281.444 1.741 10 0 CDAERP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000603593356 344820394 /nfs/dbraw/zinc/82/03/94/344820394.db2.gz CHENFTZBMBRFBG-CABCVRRESA-N 2 0 296.459 1.644 10 0 CDAERP Cn1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1=O ZINC000051907800 345068283 /nfs/dbraw/zinc/06/82/83/345068283.db2.gz LHTFBBITRNSDGU-UHFFFAOYSA-N 2 0 289.423 1.693 10 0 CDAERP OCCN1CCCC[C@@H]1C[NH2+]C[C@H](O)CC1CCCC1 ZINC000571445199 362524277 /nfs/dbraw/zinc/52/42/77/362524277.db2.gz IEZYBIWKBHCXGB-HZPDHXFCSA-N 2 0 284.444 1.364 10 0 CDAERP COC(=O)[C@H]1CCC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000167552125 362640005 /nfs/dbraw/zinc/64/00/05/362640005.db2.gz APZHJEHBZAQOSQ-KBPBESRZSA-N 2 0 268.401 1.746 10 0 CDAERP CCN(C(=O)C[NH+](CC)C1CC1)[C@@H]1CC[N@H+](C)C1 ZINC000617553364 345848578 /nfs/dbraw/zinc/84/85/78/345848578.db2.gz GZNNMTPCDCLHAE-CYBMUJFWSA-N 2 0 253.390 1.023 10 0 CDAERP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC000553461121 290120354 /nfs/dbraw/zinc/12/03/54/290120354.db2.gz IJOMIVSPFZVFBP-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP C[C@@H](CN1CCOCC1)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623358189 346086740 /nfs/dbraw/zinc/08/67/40/346086740.db2.gz SHWIEGXKDPZDRD-UONOGXRCSA-N 2 0 269.433 1.170 10 0 CDAERP C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)OC[C@@H]1CCCO1 ZINC000152247922 346116484 /nfs/dbraw/zinc/11/64/84/346116484.db2.gz IRNWYTFQEUWXNP-KRWDZBQOSA-N 2 0 296.455 1.990 10 0 CDAERP CC[NH2+][C@](C)(CO)CC[NH+]1CCC(OCC)CC1 ZINC000085241396 178981873 /nfs/dbraw/zinc/98/18/73/178981873.db2.gz HMMVPVUHJOAWIT-AWEZNQCLSA-N 2 0 258.406 1.238 10 0 CDAERP C[N@@H+]1CC[C@@H](N[C@H]2CC[NH+](CC3CC3)C2)CC1(C)C ZINC000623410194 346249636 /nfs/dbraw/zinc/24/96/36/346249636.db2.gz GCJYTDVSNJIAHC-CABCVRRESA-N 2 0 265.445 1.933 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCN2CCSCC2)CC1(C)C ZINC000623416459 346265725 /nfs/dbraw/zinc/26/57/25/346265725.db2.gz VRIALGLZRUHWDK-ZDUSSCGKSA-N 2 0 271.474 1.498 10 0 CDAERP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000085364049 179035093 /nfs/dbraw/zinc/03/50/93/179035093.db2.gz NTGPGTQLKABBEZ-ZIAGYGMSSA-N 2 0 261.369 1.814 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000571560856 362681866 /nfs/dbraw/zinc/68/18/66/362681866.db2.gz QLCDGAWBLGSMPH-QWHCGFSZSA-N 2 0 253.390 1.104 10 0 CDAERP Cc1ccc(CCC[NH2+]C[C@H]2CCCCN2CCO)cn1 ZINC000449396499 362692301 /nfs/dbraw/zinc/69/23/01/362692301.db2.gz SBCXQFKKYDSJGW-QGZVFWFLSA-N 2 0 291.439 1.759 10 0 CDAERP CCO[C@H]1C[C@H]([NH2+]CCN2CC[NH+](C)CC2)C1(C)C ZINC000085385328 179046555 /nfs/dbraw/zinc/04/65/55/179046555.db2.gz WMQBKNQSDYIBOH-KBPBESRZSA-N 2 0 269.433 1.027 10 0 CDAERP CC(C)CO[C@@H]1C[C@@H]([NH2+]CCN2CC[NH+](C)CC2)C1(C)C ZINC000085400702 179051955 /nfs/dbraw/zinc/05/19/55/179051955.db2.gz DKKIZVPARANHHF-HZPDHXFCSA-N 2 0 297.487 1.663 10 0 CDAERP C[NH+]1CCC(n2c3c(nc2C2CC2)C[NH2+]CC3)CC1 ZINC000085569819 179095984 /nfs/dbraw/zinc/09/59/84/179095984.db2.gz MJEMUZQTZOKOQQ-UHFFFAOYSA-N 2 0 260.385 1.673 10 0 CDAERP OCCC[NH2+]CCCCCCCC[NH2+]CCCO ZINC000584621253 346501989 /nfs/dbraw/zinc/50/19/89/346501989.db2.gz YZCGOHAUYVFSMG-UHFFFAOYSA-N 2 0 260.422 1.271 10 0 CDAERP COCCOC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623431410 346633058 /nfs/dbraw/zinc/63/30/58/346633058.db2.gz DDGSVWCQXPDKQK-CHWSQXEVSA-N 2 0 258.406 1.500 10 0 CDAERP C[N@@H+]1CCC[C@H](N2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000086142285 179238021 /nfs/dbraw/zinc/23/80/21/179238021.db2.gz OYJIFWFTVVXPTJ-HOTGVXAUSA-N 2 0 259.397 1.727 10 0 CDAERP CCC1(CC)CN(C[C@H]2CCC[N@H+](C)C2)CC[NH2+]1 ZINC000086145781 179239219 /nfs/dbraw/zinc/23/92/19/179239219.db2.gz OPYHGAXSRRFPEG-AWEZNQCLSA-N 2 0 253.434 1.792 10 0 CDAERP C[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1C1CC[NH+](C)CC1 ZINC000086217857 179249328 /nfs/dbraw/zinc/24/93/28/179249328.db2.gz WLPQIOWEDAGHPG-OCCSQVGLSA-N 2 0 253.434 1.789 10 0 CDAERP CC[C@H]1C[NH2+][C@@](C)(C2CC2)CN1C1CC[NH+](C)CC1 ZINC000086217792 179249353 /nfs/dbraw/zinc/24/93/53/179249353.db2.gz ASDOYISEQPQVFG-GOEBONIOSA-N 2 0 265.445 1.933 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@H](CO)C[C@H](O)C(C)(C)C)CC1(C)C ZINC000623516992 347613834 /nfs/dbraw/zinc/61/38/34/347613834.db2.gz NOXKAVNDODHAHF-IHRRRGAJSA-N 2 0 286.460 1.607 10 0 CDAERP C[NH+](C)C1(C(=O)N2CCC3(C2)CC[NH+](C)CC3)CC1 ZINC000614966612 348287932 /nfs/dbraw/zinc/28/79/32/348287932.db2.gz BJTOYCSLWNSAMP-UHFFFAOYSA-N 2 0 265.401 1.025 10 0 CDAERP C[C@@H]1CCC[C@](CNC2=[NH+]CCCN2)([NH+](C)C)C1 ZINC000066245722 348977873 /nfs/dbraw/zinc/97/78/73/348977873.db2.gz ROUFSNMHTDJPRE-OCCSQVGLSA-N 2 0 252.406 1.436 10 0 CDAERP CC[C@H](C(=O)N(C)CC1C[NH+](C)C1)[NH+](CC)CC ZINC000618193020 349395675 /nfs/dbraw/zinc/39/56/75/349395675.db2.gz GUOOGZHJDZGVIY-CYBMUJFWSA-N 2 0 255.406 1.127 10 0 CDAERP CC1(C)[C@H]([NH2+]CCOCCC[NH3+])[C@H]2CCCO[C@H]21 ZINC000629534881 362959872 /nfs/dbraw/zinc/95/98/72/362959872.db2.gz BCDOECAUBVDOLO-JHJVBQTASA-N 2 0 256.390 1.145 10 0 CDAERP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H]1CCC[N@@H+]1C ZINC000629549302 362971991 /nfs/dbraw/zinc/97/19/91/362971991.db2.gz GXQLQVMTTDNDLX-KBMXLJTQSA-N 2 0 261.413 1.629 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621666206 350702024 /nfs/dbraw/zinc/70/20/24/350702024.db2.gz MDFCKBXCLCYUTN-AWEZNQCLSA-N 2 0 289.423 1.802 10 0 CDAERP CCn1nccc1CC[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000621776565 350773302 /nfs/dbraw/zinc/77/33/02/350773302.db2.gz OTTYWCRMKISNHY-CHWSQXEVSA-N 2 0 250.390 1.362 10 0 CDAERP O[C@H](C[NH2+]CCc1ccc2ccccc2n1)C[NH+]1CCCC1 ZINC000629558340 362998571 /nfs/dbraw/zinc/99/85/71/362998571.db2.gz GAYVIBXCIACLAO-QGZVFWFLSA-N 2 0 299.418 1.824 10 0 CDAERP COCC[N@H+](C)CCC[NH2+]Cc1cccc(OC)c1 ZINC000075800073 1172140909 /nfs/dbraw/zinc/14/09/09/1172140909.db2.gz UUHYRKXOQKRCOC-UHFFFAOYSA-N 2 0 266.385 1.753 10 0 CDAERP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3C[C@H](C(N)=O)C3)CC2)C1 ZINC000624130750 351433104 /nfs/dbraw/zinc/43/31/04/351433104.db2.gz YONHWPKQFCTBQI-DARAHFNDSA-N 2 0 293.455 1.883 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc[nH]c2=O)[C@H]2CCC[C@@H]21 ZINC000624259677 351523433 /nfs/dbraw/zinc/52/34/33/351523433.db2.gz SXXKOSNRJIVZBT-RDBSUJKOSA-N 2 0 261.369 1.750 10 0 CDAERP [NH3+]C[C@@H]1c2ccccc2CCN1CC1=CCCOC1 ZINC000629650398 363250833 /nfs/dbraw/zinc/25/08/33/363250833.db2.gz UFRZJGOPNSPJRL-MRXNPFEDSA-N 2 0 258.365 1.891 10 0 CDAERP O=C(CC[C@H]1CCC[NH2+]C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000251285638 366147445 /nfs/dbraw/zinc/14/74/45/366147445.db2.gz NCNFTGNOAINNDE-KGLIPLIRSA-N 2 0 265.401 1.073 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000334283373 283040665 /nfs/dbraw/zinc/04/06/65/283040665.db2.gz ZBEPLIONLJFROD-IYXRBSQSSA-N 2 0 265.401 1.071 10 0 CDAERP Cc1n[nH]cc1[C@@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000643543887 355995834 /nfs/dbraw/zinc/99/58/34/355995834.db2.gz UJTABUHNGADZNU-LRVUVFPRSA-N 2 0 291.443 1.585 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCN2CCO)[C@@H]2CCC[C@H]21 ZINC000453259290 283137123 /nfs/dbraw/zinc/13/71/23/283137123.db2.gz ICZSFRIUCCDSHR-LUKYLMHMSA-N 2 0 295.471 1.296 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)CCC(=O)N2)[C@@H]2CCC[C@@H]21 ZINC000453403931 283138705 /nfs/dbraw/zinc/13/87/05/283138705.db2.gz DHDFWMAXQIZFRS-ABHRYQDASA-N 2 0 265.401 1.118 10 0 CDAERP C[C@]1(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CCCC[NH2+]1 ZINC000336513063 356193244 /nfs/dbraw/zinc/19/32/44/356193244.db2.gz CWMHAZWJLQONMI-HUUCEWRRSA-N 2 0 265.401 1.121 10 0 CDAERP CC1CC[NH+](CC(=O)NCCC[N@H+](C)CC2CC2)CC1 ZINC001660345030 1172200626 /nfs/dbraw/zinc/20/06/26/1172200626.db2.gz COIGEBAQSVFHDT-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP COc1cc([C@H](C)[NH2+]CCC[NH3+])cc(OC)c1OC ZINC000037713576 356522950 /nfs/dbraw/zinc/52/29/50/356522950.db2.gz JRVFBWQJHHRCAD-JTQLQIEISA-N 2 0 268.357 1.712 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1C[C@H]([NH+](C)C)C1(C)C)[NH+](C)C ZINC000636097942 363515474 /nfs/dbraw/zinc/51/54/74/363515474.db2.gz MJHGZRRSOOJKMP-UTUOFQBUSA-N 2 0 255.406 1.172 10 0 CDAERP CC(C)[C@@H](CNC(=O)[C@@H]1CC[C@H]([NH3+])C1)[NH+]1CCC(C)CC1 ZINC000164906959 363558025 /nfs/dbraw/zinc/55/80/25/363558025.db2.gz WLILTIJTQYUKJK-OWCLPIDISA-N 2 0 295.471 1.987 10 0 CDAERP C[N@H+](CCCC[NH2+]C[C@@H](O)C(F)(F)F)C1CC1 ZINC000584108490 357218665 /nfs/dbraw/zinc/21/86/65/357218665.db2.gz GZJYCUBPPVVQDR-SNVBAGLBSA-N 2 0 254.296 1.374 10 0 CDAERP CC[NH+](CC)CC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634762159 358432795 /nfs/dbraw/zinc/43/27/95/358432795.db2.gz QWUPUAWNQVMVAG-GFCCVEGCSA-N 2 0 255.406 1.223 10 0 CDAERP C[C@H]1CN(C)C[C@H]1[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000358037049 358798381 /nfs/dbraw/zinc/79/83/81/358798381.db2.gz LZRTZOINWBDWJH-CAOSSQGBSA-N 3 0 283.460 1.416 10 0 CDAERP C[C@H]1CN(C)C[C@H]1[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000358037073 358799031 /nfs/dbraw/zinc/79/90/31/358799031.db2.gz LZRTZOINWBDWJH-ZJIFWQFVSA-N 2 0 283.460 1.416 10 0 CDAERP C[N@H+]1C[C@H]2[C@@H](CCN2CCC[NH+]2CCCCC2)C1 ZINC000644736748 366490505 /nfs/dbraw/zinc/49/05/05/366490505.db2.gz UHLSYBHNKBDBAL-GJZGRUSLSA-N 2 0 251.418 1.498 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)[C@H]1CC[NH+](C2CC2)C1 ZINC000346969076 359114914 /nfs/dbraw/zinc/11/49/14/359114914.db2.gz KIPUBBQUMYKGSF-GUTXKFCHSA-N 2 0 279.428 1.554 10 0 CDAERP c1cncc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)c1 ZINC000262029071 359123756 /nfs/dbraw/zinc/12/37/56/359123756.db2.gz XIJMTWLJQAUMSF-RBSFLKMASA-N 2 0 261.369 1.328 10 0 CDAERP CC[C@H](C)[C@H](C)[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000347600650 359489252 /nfs/dbraw/zinc/48/92/52/359489252.db2.gz AWZVQSDMKYUNPH-STQMWFEESA-N 2 0 281.444 1.754 10 0 CDAERP C[C@@H]1C[C@H](NCCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000379644348 359635671 /nfs/dbraw/zinc/63/56/71/359635671.db2.gz CCNVCCKBKFVEPJ-GDBMZVCRSA-N 2 0 261.413 1.978 10 0 CDAERP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCNC(=O)c1ccccc1 ZINC000422912432 359669745 /nfs/dbraw/zinc/66/97/45/359669745.db2.gz NDZBWAYAHJZDDC-KGLIPLIRSA-N 2 0 261.369 1.133 10 0 CDAERP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000094646872 291191891 /nfs/dbraw/zinc/19/18/91/291191891.db2.gz PIYKTMGNBBRKBI-RRFJBIMHSA-N 2 0 281.444 1.755 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H](C)[C@@H](O)Cc1ccccc1 ZINC000422993457 359705052 /nfs/dbraw/zinc/70/50/52/359705052.db2.gz FQDVBCBRKLPHCF-KBMXLJTQSA-N 2 0 280.412 1.322 10 0 CDAERP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H](CO)c1ccccc1 ZINC000423002660 359718568 /nfs/dbraw/zinc/71/85/68/359718568.db2.gz GMKRBHMKTGKMKE-FVQBIDKESA-N 2 0 262.397 1.740 10 0 CDAERP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)c2cn[nH]c2)CC[NH2+]CC1 ZINC000423008992 359738947 /nfs/dbraw/zinc/73/89/47/359738947.db2.gz BMGKBNMFOBROME-RYUDHWBXSA-N 2 0 294.399 1.382 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)C1CC1 ZINC000059931503 359825113 /nfs/dbraw/zinc/82/51/13/359825113.db2.gz PLBYPPSRMCYEHQ-UBHSHLNASA-N 2 0 265.401 1.118 10 0 CDAERP CC[N@H+](CCCNC(=O)C[NH+]1CC[C@H](C)C1)C1CC1 ZINC001660722896 1172266714 /nfs/dbraw/zinc/26/67/14/1172266714.db2.gz OBNCTCMQMZQVTO-ZDUSSCGKSA-N 2 0 267.417 1.319 10 0 CDAERP CCOC(=O)C1([C@@H](C)N[C@@H]2CCCC[NH2+]C2)CC[NH2+]CC1 ZINC000423555930 359856771 /nfs/dbraw/zinc/85/67/71/359856771.db2.gz MDJGLUNNSNURSV-ZIAGYGMSSA-N 2 0 297.443 1.040 10 0 CDAERP CN(Cc1ccc2c(c1)C[NH2+]CC2)[C@@H](C[NH3+])C1CC1 ZINC000566351939 359901347 /nfs/dbraw/zinc/90/13/47/359901347.db2.gz MCAMIACWDWIPOW-INIZCTEOSA-N 3 0 259.397 1.501 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)c2cccnc2)[C@H](C)C1 ZINC000348239605 359968081 /nfs/dbraw/zinc/96/80/81/359968081.db2.gz BMFUZQZGFPBRPQ-KBMXLJTQSA-N 2 0 277.412 1.477 10 0 CDAERP C[C@@H]1CN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CC[NH2+]1 ZINC000335395376 360149716 /nfs/dbraw/zinc/14/97/16/360149716.db2.gz KSXFRGZUFGAZCR-CHWSQXEVSA-N 2 0 253.390 1.071 10 0 CDAERP O=C(NC1CC([NH+]2CCCCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000335475881 360333441 /nfs/dbraw/zinc/33/34/41/360333441.db2.gz BDPVLUNHTDLVLX-IYXRBSQSSA-N 2 0 265.401 1.119 10 0 CDAERP [NH3+]C1(CN[C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CCCCCC1 ZINC000643498748 360360487 /nfs/dbraw/zinc/36/04/87/360360487.db2.gz PYQBTACRAWMQLE-LSDHHAIUSA-N 2 0 281.444 1.395 10 0 CDAERP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000261762775 283546678 /nfs/dbraw/zinc/54/66/78/283546678.db2.gz YAQGPOGHBLYFMA-XQLPTFJDSA-N 2 0 279.428 1.365 10 0 CDAERP C[C@@H]1C[C@H](N(C)CC(=O)NC(=O)NC(C)(C)C)CC[N@@H+]1C ZINC000123293294 360605886 /nfs/dbraw/zinc/60/58/86/360605886.db2.gz UNCPQHPNZYPRDU-VXGBXAGGSA-N 2 0 298.431 1.025 10 0 CDAERP CC1CC[NH+](CCNC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000626935030 360654148 /nfs/dbraw/zinc/65/41/48/360654148.db2.gz VIFFYNKGEPOLBA-UONOGXRCSA-N 2 0 282.432 1.158 10 0 CDAERP c1csc(C2CC[NH+](CCN3CC[NH2+]CC3)CC2)n1 ZINC000566303799 316549801 /nfs/dbraw/zinc/54/98/01/316549801.db2.gz JLHKLUOECALMIH-UHFFFAOYSA-N 2 0 280.441 1.228 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000349875936 360956770 /nfs/dbraw/zinc/95/67/70/360956770.db2.gz MDSIRMVXCXRXGD-DZGCQCFKSA-N 2 0 296.459 1.595 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@H](C)[NH+](C)C)cc1 ZINC000418245160 296030211 /nfs/dbraw/zinc/03/02/11/296030211.db2.gz BJYUNNBZFWTSLB-NWDGAFQWSA-N 2 0 278.400 1.456 10 0 CDAERP CN1CCOC[C@@H]1CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC000628915376 361296626 /nfs/dbraw/zinc/29/66/26/361296626.db2.gz RQCDHGUZXBGFRO-HNNXBMFYSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000644077099 363778678 /nfs/dbraw/zinc/77/86/78/363778678.db2.gz FMOYLCPOVDRCHK-GXFFZTMASA-N 2 0 297.349 1.567 10 0 CDAERP C[C@H](C[NH3+])N(C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000417941922 361433637 /nfs/dbraw/zinc/43/36/37/361433637.db2.gz NICQXVKSENVKRN-SNPRPXQTSA-N 2 0 290.411 1.420 10 0 CDAERP C(C[C@@H]1CCOC1)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000645777736 361452894 /nfs/dbraw/zinc/45/28/94/361452894.db2.gz KTVQBBZMAFSMBT-QGZVFWFLSA-N 2 0 296.455 1.847 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000339445314 361510064 /nfs/dbraw/zinc/51/00/64/361510064.db2.gz PQPIYAWOZPPLDU-KGLIPLIRSA-N 2 0 294.443 1.397 10 0 CDAERP CCC[C@@H]([NH3+])C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000262606622 361571301 /nfs/dbraw/zinc/57/13/01/361571301.db2.gz ZVVAZOIHBOHEPL-ZIAGYGMSSA-N 2 0 267.417 1.304 10 0 CDAERP C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCCC[NH3+])CC1 ZINC000437779664 361688410 /nfs/dbraw/zinc/68/84/10/361688410.db2.gz BVSFMMAGTHASGW-ZFWWWQNUSA-N 2 0 253.434 1.968 10 0 CDAERP CCOC(=O)COCC[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000351519172 361732986 /nfs/dbraw/zinc/73/29/86/361732986.db2.gz NQCKRGTXASTQFZ-ZIAGYGMSSA-N 2 0 286.416 1.371 10 0 CDAERP Cc1ncc(CN2CCO[C@@H](CCC[NH+](C)C)C2)o1 ZINC000628352831 363852973 /nfs/dbraw/zinc/85/29/73/363852973.db2.gz WAVBHJWGNAQAHB-ZDUSSCGKSA-N 2 0 267.373 1.526 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)C1 ZINC000566457899 370734316 /nfs/dbraw/zinc/73/43/16/370734316.db2.gz VVXRQHCNDUQRCS-GDBMZVCRSA-N 2 0 279.428 1.273 10 0 CDAERP C[N@@H+]1CCC[C@]2(CCN(Cc3cc(C(N)=O)cs3)C2)C1 ZINC000293671995 370741371 /nfs/dbraw/zinc/74/13/71/370741371.db2.gz OXLOUNRGJGBDDJ-HNNXBMFYSA-N 2 0 293.436 1.765 10 0 CDAERP C[N@H+](CC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)C1CCC1 ZINC000629959171 364260697 /nfs/dbraw/zinc/26/06/97/364260697.db2.gz NHJDAALTGJMOGU-MRXNPFEDSA-N 2 0 293.455 1.948 10 0 CDAERP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)CC[C@H]3CCCC[N@@H+]3C)C[C@H]21 ZINC000630006388 364412940 /nfs/dbraw/zinc/41/29/40/364412940.db2.gz RUQPFNBUWFTMDQ-NYTXWWLZSA-N 2 0 279.428 1.269 10 0 CDAERP [NH3+]C[C@@H](NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C1CCCCC1 ZINC000563946263 364771545 /nfs/dbraw/zinc/77/15/45/364771545.db2.gz QOVCVEVOBBUWIP-QLFBSQMISA-N 2 0 294.443 1.430 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H](C)C1 ZINC000469705417 364785344 /nfs/dbraw/zinc/78/53/44/364785344.db2.gz KPVHGSZZCZVHJZ-FXUDXRNXSA-N 2 0 295.471 1.905 10 0 CDAERP COC[C@@H](C)C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000187944747 364869715 /nfs/dbraw/zinc/86/97/15/364869715.db2.gz ZYCKUBFRZRKUOH-UONOGXRCSA-N 2 0 258.406 1.095 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001661045477 1172328097 /nfs/dbraw/zinc/32/80/97/1172328097.db2.gz KOWUMIPYBNLAHU-XHPSBEMXSA-N 2 0 281.444 1.873 10 0 CDAERP O=C([C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)N1CCC2(CC[NH2+]C2)CC1 ZINC000261731467 296074971 /nfs/dbraw/zinc/07/49/71/296074971.db2.gz HRUCMCVRVQOKRC-ILXRZTDVSA-N 2 0 291.439 1.509 10 0 CDAERP Cc1nccn1CC[N@H+](C[C@@H]1CCC(=O)N1)C(C)C ZINC000566665298 370785873 /nfs/dbraw/zinc/78/58/73/370785873.db2.gz LUVAPIAGIYDAQK-ZDUSSCGKSA-N 2 0 264.373 1.181 10 0 CDAERP CCNC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000353613055 365333194 /nfs/dbraw/zinc/33/31/94/365333194.db2.gz LOPFQQIPEDASMV-YJNKXOJESA-N 2 0 294.443 1.253 10 0 CDAERP CC(C)(C)CC(=O)N1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000643056796 365508677 /nfs/dbraw/zinc/50/86/77/365508677.db2.gz KRGISTHEVKTRDQ-HNNXBMFYSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@@H]1C[C@H]1C ZINC000414112779 241073898 /nfs/dbraw/zinc/07/38/98/241073898.db2.gz NFJKQTVKTJHRCZ-UMVBOHGHSA-N 2 0 253.434 1.647 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000626979944 367124373 /nfs/dbraw/zinc/12/43/73/367124373.db2.gz NDHSUMPHWFVQIM-MJBXVCDLSA-N 2 0 298.475 1.793 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000626965639 367099872 /nfs/dbraw/zinc/09/98/72/367099872.db2.gz JYUNQMRWVRBJFL-FRRDWIJNSA-N 2 0 270.421 1.156 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000627054986 367313056 /nfs/dbraw/zinc/31/30/56/367313056.db2.gz LSUVICTZVNDYDO-LSDHHAIUSA-N 2 0 294.443 1.443 10 0 CDAERP CC1CC[NH+](CCNC(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000417003204 242260088 /nfs/dbraw/zinc/26/00/88/242260088.db2.gz BGDREPHZURUXDY-KGLIPLIRSA-N 2 0 282.432 1.016 10 0 CDAERP c1cn(-c2csc(CNC[C@H]3CCC[NH2+]3)c2)cn1 ZINC000414852830 367653404 /nfs/dbraw/zinc/65/34/04/367653404.db2.gz WMTICGDFRDBOGF-LLVKDONJSA-N 2 0 262.382 1.775 10 0 CDAERP CC[NH+](CC)CC[C@H](CO)NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000567060966 370871335 /nfs/dbraw/zinc/87/13/35/370871335.db2.gz HXXNZHGSBXINOJ-SOUVJXGZSA-N 2 0 299.459 1.068 10 0 CDAERP C[N@H+](CCCNC(=O)CCC1C[NH2+]C1)Cc1ccccc1 ZINC000638053000 367851674 /nfs/dbraw/zinc/85/16/74/367851674.db2.gz DSHHCGYTJQVHQK-UHFFFAOYSA-N 2 0 289.423 1.624 10 0 CDAERP O[C@H](C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)CC1(O)CCC1 ZINC000528385856 367818908 /nfs/dbraw/zinc/81/89/08/367818908.db2.gz DSQRWQQBUJXRIL-CVEARBPZSA-N 2 0 296.455 1.603 10 0 CDAERP [NH3+][C@H]1CC=C(C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000638054275 367837487 /nfs/dbraw/zinc/83/74/87/367837487.db2.gz MNTMLGDPZNJQJZ-ZDUSSCGKSA-N 2 0 251.374 1.026 10 0 CDAERP C[C@@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+][C@H]1CN(C)C[C@H]1C ZINC000360587810 368375605 /nfs/dbraw/zinc/37/56/05/368375605.db2.gz DCDMOQMSADJZRQ-LEOABGAYSA-N 2 0 267.461 1.893 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC([NH3+])(CC)CC)[C@H](C)C1 ZINC000418422155 243058562 /nfs/dbraw/zinc/05/85/62/243058562.db2.gz CLYIJQFACTVAHH-KGLIPLIRSA-N 2 0 298.475 1.876 10 0 CDAERP CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418444650 243085064 /nfs/dbraw/zinc/08/50/64/243085064.db2.gz GQNMRBBOBAWLIM-CABCVRRESA-N 2 0 292.427 1.701 10 0 CDAERP C[C@@H]1CCN(C(=O)NC[C@H]([NH3+])c2ccccc2)C[C@H]1C[NH3+] ZINC000418449412 243091810 /nfs/dbraw/zinc/09/18/10/243091810.db2.gz KEFYICWIEYTCBX-YUELXQCFSA-N 2 0 290.411 1.313 10 0 CDAERP CC[C@@H]([NH3+])CNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000418463692 243107391 /nfs/dbraw/zinc/10/73/91/243107391.db2.gz OXJGCWPRZBXLNW-ZWNOBZJWSA-N 2 0 264.373 1.243 10 0 CDAERP C[NH2+]C[C@H]1CCCN1C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000418474880 243121333 /nfs/dbraw/zinc/12/13/33/243121333.db2.gz YSGXHMNIFVXOPW-SWLSCSKDSA-N 2 0 290.411 1.600 10 0 CDAERP CCC([NH3+])(CC)CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000418473629 243121835 /nfs/dbraw/zinc/12/18/35/243121835.db2.gz UGPARZOSOPONSO-CYBMUJFWSA-N 2 0 282.432 1.382 10 0 CDAERP CCC[NH2+]CCNC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000418479615 243129070 /nfs/dbraw/zinc/12/90/70/243129070.db2.gz ZCJMFVNDPXVKMY-ZIAGYGMSSA-N 2 0 284.448 1.358 10 0 CDAERP CC(C)CC[C@H]([NH3+])C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000638115277 368476035 /nfs/dbraw/zinc/47/60/35/368476035.db2.gz GJQGSAXERKEXBF-MCIONIFRSA-N 2 0 267.417 1.445 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000418575948 243227998 /nfs/dbraw/zinc/22/79/98/243227998.db2.gz NRQJQCQPAGOQAD-UKRRQHHQSA-N 2 0 296.459 1.358 10 0 CDAERP CCCC[N@H+](C)CC1CCN(C(=O)N[C@H](C)[C@H](C)[NH3+])CC1 ZINC000418706419 243359105 /nfs/dbraw/zinc/35/91/05/243359105.db2.gz SNHPPCZGERTELR-UONOGXRCSA-N 2 0 298.475 1.876 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000418716991 243372483 /nfs/dbraw/zinc/37/24/83/243372483.db2.gz ZZXTZQPEJMCGQL-RYUDHWBXSA-N 2 0 270.421 1.095 10 0 CDAERP CN(C/C=C/CN(C)Cc1cc[nH]n1)Cc1cc[nH]n1 ZINC000340194547 368567129 /nfs/dbraw/zinc/56/71/29/368567129.db2.gz MDKMAFNSQJAWLS-ONEGZZNKSA-N 2 0 274.372 1.253 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)N(C)CCC[NH+](C)C ZINC000542748554 368815821 /nfs/dbraw/zinc/81/58/21/368815821.db2.gz MNIUWGQFTAAXBG-UHFFFAOYSA-N 2 0 272.437 1.311 10 0 CDAERP C[C@H](CNC(=O)CCN(C)c1cc[nH+]cc1)[N@H+](C)C1CC1 ZINC000543712994 368956676 /nfs/dbraw/zinc/95/66/76/368956676.db2.gz IUFYRZFLEMGCTE-CYBMUJFWSA-N 2 0 290.411 1.507 10 0 CDAERP CC[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)[NH+](CC)CC ZINC000361775652 369035574 /nfs/dbraw/zinc/03/55/74/369035574.db2.gz HSDVXCKFEDPAJS-HUUCEWRRSA-N 2 0 281.444 1.802 10 0 CDAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638284961 369163630 /nfs/dbraw/zinc/16/36/30/369163630.db2.gz JEWAVSFLGYJDTL-KBRIMQKVSA-N 2 0 299.418 1.671 10 0 CDAERP c1c(CC[NH+]2CCCCC2)nnn1C[C@@H]1CCC[NH2+]1 ZINC000630605496 369386920 /nfs/dbraw/zinc/38/69/20/369386920.db2.gz JSEMUVPNYYLDQA-ZDUSSCGKSA-N 2 0 263.389 1.059 10 0 CDAERP [NH3+][C@@H](Cc1cn(C[C@H]2CCC[NH2+]2)nn1)c1ccccc1 ZINC000630605187 369373809 /nfs/dbraw/zinc/37/38/09/369373809.db2.gz GOSHRWMLYYEEPQ-HIFRSBDPSA-N 2 0 271.368 1.273 10 0 CDAERP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000368557137 369516935 /nfs/dbraw/zinc/51/69/35/369516935.db2.gz NDJJAPCXQJIZSD-IUODEOHRSA-N 2 0 287.407 1.813 10 0 CDAERP C[NH+](C)[C@@H]1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000170832005 369521996 /nfs/dbraw/zinc/52/19/96/369521996.db2.gz KSWHFLRABROHSB-OAHLLOKOSA-N 2 0 294.443 1.206 10 0 CDAERP OC[C@H]1CCCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000369027523 369669439 /nfs/dbraw/zinc/66/94/39/369669439.db2.gz MMMGSDGRSNRDKC-HNNXBMFYSA-N 2 0 254.418 1.957 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+]3CCCC[C@H]23)CC[N@@H+]1C ZINC000630748224 369964823 /nfs/dbraw/zinc/96/48/23/369964823.db2.gz CXBYHDUXQMDMNW-BYNSBNAKSA-N 2 0 279.428 1.460 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](C)C[NH+]2CCCC2)C1 ZINC000249769751 370182840 /nfs/dbraw/zinc/18/28/40/370182840.db2.gz RJNJXMWDMFJMSV-GJZGRUSLSA-N 2 0 296.459 1.502 10 0 CDAERP C[NH2+][C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000389937435 370471732 /nfs/dbraw/zinc/47/17/32/370471732.db2.gz NLOKGKBLFATMQJ-UMVBOHGHSA-N 2 0 275.396 1.231 10 0 CDAERP [NH3+]C1(CNC(=O)NCCC[NH2+]C2CC2)CCCCCC1 ZINC000418285208 370492181 /nfs/dbraw/zinc/49/21/81/370492181.db2.gz ONVCBOHMPYSQSK-UHFFFAOYSA-N 2 0 282.432 1.479 10 0 CDAERP Cc1c(Cl)c(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)nn1C ZINC000422550446 245106555 /nfs/dbraw/zinc/10/65/55/245106555.db2.gz BAQFVNYJUTYPJT-VHSXEESVSA-N 2 0 256.781 1.599 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCc2ccccc2C1 ZINC000422753524 245217948 /nfs/dbraw/zinc/21/79/48/245217948.db2.gz INLMZCFIFURDOX-NKKGCODLSA-N 2 0 274.408 1.886 10 0 CDAERP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H](C)[C@H](C)[NH3+])CC2 ZINC000572944599 371353628 /nfs/dbraw/zinc/35/36/28/371353628.db2.gz QHMAKJFICWYIBI-FQUUOJAGSA-N 2 0 282.432 1.379 10 0 CDAERP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000165120290 371344757 /nfs/dbraw/zinc/34/47/57/371344757.db2.gz XMEPWZPTSFHOGX-HRCADAONSA-N 2 0 295.471 1.860 10 0 CDAERP CCC[C@@H](C(=O)N1CC[C@H]([NH+](CC)CC)C1)[NH+](C)C ZINC000123303185 371388369 /nfs/dbraw/zinc/38/83/69/371388369.db2.gz QBMLEQHYSJQPRZ-KBPBESRZSA-N 2 0 269.433 1.659 10 0 CDAERP C[NH+](C)CCCC1CC[NH+](CC2(O)CCOCC2)CC1 ZINC000123381554 371407363 /nfs/dbraw/zinc/40/73/63/371407363.db2.gz BTBVQQJXOMVVFW-UHFFFAOYSA-N 2 0 284.444 1.582 10 0 CDAERP C[C@H](CCC(C)(C)C)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000572993217 371374277 /nfs/dbraw/zinc/37/42/77/371374277.db2.gz SPMIVNIYNGEWQU-HUUCEWRRSA-N 2 0 285.476 1.399 10 0 CDAERP [NH3+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000377535253 371568681 /nfs/dbraw/zinc/56/86/81/371568681.db2.gz DMNTWHCVKBSMAS-GVRJEKJASA-N 2 0 293.455 1.788 10 0 CDAERP CC[N@H+](CCNC(=O)N[C@@H]1CCC[NH+](CC)C1)C1CC1 ZINC000171164518 371716716 /nfs/dbraw/zinc/71/67/16/371716716.db2.gz JANBLWXBIXLCPO-CYBMUJFWSA-N 2 0 282.432 1.254 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000171508271 371746560 /nfs/dbraw/zinc/74/65/60/371746560.db2.gz AREJOVVWZWQHFU-QWHCGFSZSA-N 2 0 253.390 1.023 10 0 CDAERP C[C@@H]1CN(Cc2c(Cl)cnn2C)C[C@@]1(C)C[NH3+] ZINC000335349902 371798364 /nfs/dbraw/zinc/79/83/64/371798364.db2.gz XQJAQHPTHWEDPK-BXKDBHETSA-N 2 0 256.781 1.490 10 0 CDAERP Cn1ccnc1[C@@H]1CCN(c2ncnc3c2CN(C)CC3)C1 ZINC000378266684 371893169 /nfs/dbraw/zinc/89/31/69/371893169.db2.gz JTHWKRALAXDYHQ-GFCCVEGCSA-N 2 0 298.394 1.192 10 0 CDAERP C[C@@H](C(=O)N1CCC[NH+](C2CC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000171285877 372156313 /nfs/dbraw/zinc/15/63/13/372156313.db2.gz CZHPXKIZDKRLDC-ZNMIVQPWSA-N 2 0 293.455 1.944 10 0 CDAERP C[N@H+](CCNC(=O)N1CC[NH+]2CCC[C@@H]2C1)C1CCCC1 ZINC000171907480 372251702 /nfs/dbraw/zinc/25/17/02/372251702.db2.gz PZHQXLGGEULPHE-OAHLLOKOSA-N 2 0 294.443 1.350 10 0 CDAERP C[C@H](CN[C@@H](C)[C@H]1CCC[NH2+]C1)C[NH+]1CCCC1 ZINC000582540551 372353888 /nfs/dbraw/zinc/35/38/88/372353888.db2.gz YIONAKWKXUBXNC-ILXRZTDVSA-N 2 0 253.434 1.696 10 0 CDAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000333392287 205281944 /nfs/dbraw/zinc/28/19/44/205281944.db2.gz OXYHWRJLNMMIOJ-TUVASFSCSA-N 2 0 296.459 1.402 10 0 CDAERP O=C(CCC1CC[NH2+]CC1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186495806 373155007 /nfs/dbraw/zinc/15/50/07/373155007.db2.gz AFSGJDVIUUQBLG-CQSZACIVSA-N 2 0 279.428 1.509 10 0 CDAERP CCC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000341006968 373165991 /nfs/dbraw/zinc/16/59/91/373165991.db2.gz BEPQOEZJDNVTEO-AWEZNQCLSA-N 2 0 282.432 1.254 10 0 CDAERP CCC[C@@](C)([NH3+])C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062942946 373205057 /nfs/dbraw/zinc/20/50/57/373205057.db2.gz FIMMJWSIHNRZNN-TZMCWYRMSA-N 2 0 253.390 1.201 10 0 CDAERP C[C@@H]([NH2+]C1CCC(C(N)=O)CC1)[C@@H]1CCCC[NH2+]1 ZINC000386460491 373390230 /nfs/dbraw/zinc/39/02/30/373390230.db2.gz PDJZGHRNASNEPZ-XVSSEFHLSA-N 2 0 253.390 1.151 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)CC[N@@H+]1C ZINC000341185629 373451315 /nfs/dbraw/zinc/45/13/15/373451315.db2.gz BOLIZSVLZNAYLZ-ILXRZTDVSA-N 2 0 292.427 1.125 10 0 CDAERP CC[C@H]1CN(CCC[NH+](CC)CC)CC[N@@H+]1CCOC ZINC000191484482 373497757 /nfs/dbraw/zinc/49/77/57/373497757.db2.gz AIOGWKWDQPFJIP-INIZCTEOSA-N 2 0 285.476 1.761 10 0 CDAERP CCCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631841037 373829276 /nfs/dbraw/zinc/82/92/76/373829276.db2.gz HMPFAEIDIRGLEK-FRRDWIJNSA-N 2 0 255.406 1.208 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652232263 541924320 /nfs/dbraw/zinc/92/43/20/541924320.db2.gz VIZWDCRZDVHKLN-CYBMUJFWSA-N 2 0 282.432 1.240 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)NCCCC[NH3+])CC1 ZINC000418507433 374398676 /nfs/dbraw/zinc/39/86/76/374398676.db2.gz IZZPHWIQMSVGDL-UHFFFAOYSA-N 2 0 284.448 1.489 10 0 CDAERP CN(C(=O)NCCC[C@@H]1CCC[NH2+]1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000418752541 374583565 /nfs/dbraw/zinc/58/35/65/374583565.db2.gz TYNJQNCCUARDSH-ZFWWWQNUSA-N 2 0 294.443 1.397 10 0 CDAERP C[C@H]([NH2+][C@@H]1CC[C@H]1O)c1cccc(OCC[NH+](C)C)c1 ZINC000424319937 246439907 /nfs/dbraw/zinc/43/99/07/246439907.db2.gz RCKPMMFMZBTMLL-APHBMKBZSA-N 2 0 278.396 1.801 10 0 CDAERP C[C@@H](C(=O)Nc1ccc2c(c1F)CC[NH2+]C2)[C@H](C)[NH3+] ZINC000334325321 374906485 /nfs/dbraw/zinc/90/64/85/374906485.db2.gz AYFQFMBFPPRADK-BDAKNGLRSA-N 2 0 265.332 1.393 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000417001765 375712779 /nfs/dbraw/zinc/71/27/79/375712779.db2.gz FNNQTYLBYHOAQV-XQQFMLRXSA-N 2 0 270.421 1.095 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000428461398 247306607 /nfs/dbraw/zinc/30/66/07/247306607.db2.gz LPPLKTGFUNBQRV-MLGOLLRUSA-N 2 0 286.379 1.778 10 0 CDAERP FC(F)COCC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420402110 376348671 /nfs/dbraw/zinc/34/86/71/376348671.db2.gz QEOWSYSJXFCALI-VXGBXAGGSA-N 2 0 262.344 1.732 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCCC1CC[NH2+]CC1 ZINC000251671975 483073595 /nfs/dbraw/zinc/07/35/95/483073595.db2.gz HKDZLBCVSRYUSC-ZBFHGGJFSA-N 2 0 265.445 1.935 10 0 CDAERP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@H](C2CCC2)CC1 ZINC000631874119 376763905 /nfs/dbraw/zinc/76/39/05/376763905.db2.gz XRYAJUKYNYPYSX-GJZGRUSLSA-N 2 0 254.418 1.859 10 0 CDAERP C(CN1CCC[C@H]2C[NH2+]CC[C@@H]21)[C@@H]1CCC[NH2+]C1 ZINC000631889659 376783586 /nfs/dbraw/zinc/78/35/86/376783586.db2.gz KXJSCKXDSXAGPX-KKUMJFAQSA-N 2 0 251.418 1.450 10 0 CDAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@@](C)(O)C2)[C@@H](C)C1 ZINC000417415965 377033786 /nfs/dbraw/zinc/03/37/86/377033786.db2.gz ZYBOKUVRDKVYSL-CAOSSQGBSA-N 2 0 284.444 1.626 10 0 CDAERP [NH3+]C[C@H]1CCN(C(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000334936498 377706115 /nfs/dbraw/zinc/70/61/15/377706115.db2.gz QJRRKVUPCFWUNZ-GFCCVEGCSA-N 2 0 268.405 1.028 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N(C)C1CC[NH2+]CC1 ZINC000417526293 377852664 /nfs/dbraw/zinc/85/26/64/377852664.db2.gz BUJPCZGVBWPMHG-OKILXGFUSA-N 2 0 296.459 1.643 10 0 CDAERP C[C@@H]1CN(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)CC[C@H]1[NH3+] ZINC000417541538 377937569 /nfs/dbraw/zinc/93/75/69/377937569.db2.gz YSNGDZHXJGICQJ-APIJFGDWSA-N 2 0 296.459 1.628 10 0 CDAERP C[NH2+][C@H]1CCN(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000417537229 377904089 /nfs/dbraw/zinc/90/40/89/377904089.db2.gz RZPXNLFXOCLBKH-MJBXVCDLSA-N 2 0 282.432 1.253 10 0 CDAERP OCC[NH+]1CCC(C[NH2+]Cc2ccccc2F)CC1 ZINC000069370463 378066236 /nfs/dbraw/zinc/06/62/36/378066236.db2.gz HINPETYXKVHEDP-UHFFFAOYSA-N 2 0 266.360 1.620 10 0 CDAERP C[C@H]([NH3+])CCC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000193315334 378273105 /nfs/dbraw/zinc/27/31/05/378273105.db2.gz HLINEZRNRIRBHJ-NSHDSACASA-N 2 0 281.375 1.631 10 0 CDAERP C[C@@H](O)C[NH+]1CCC(C[NH2+]C[C@@H]2CCCCO2)CC1 ZINC000069569123 378308566 /nfs/dbraw/zinc/30/85/66/378308566.db2.gz FVATTXXJGMDNFB-HIFRSBDPSA-N 2 0 270.417 1.238 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC2CCC([NH+](C)C)CC2)CC[N@@H+]1C ZINC000633458789 378466816 /nfs/dbraw/zinc/46/68/16/378466816.db2.gz MGWZLDDVQHEJLZ-PFSRBDOWSA-N 2 0 281.444 1.706 10 0 CDAERP C[N@@H+]1CCC[C@@H](CNC(=O)NCC[NH3+])[C@@H]1c1cccs1 ZINC000417732255 378418026 /nfs/dbraw/zinc/41/80/26/378418026.db2.gz GYDNWVYHPQPQEG-WCQYABFASA-N 2 0 296.440 1.389 10 0 CDAERP Cc1nccn1CCC[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425553042 378483374 /nfs/dbraw/zinc/48/33/74/378483374.db2.gz SQTMIRGJHLARMC-GFCCVEGCSA-N 2 0 260.345 1.189 10 0 CDAERP CC[C@@H](C)C[NH2+][C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001662387492 1172540213 /nfs/dbraw/zinc/54/02/13/1172540213.db2.gz FMRJDVFLWREQIT-OLZOCXBDSA-N 2 0 267.417 1.223 10 0 CDAERP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000262332509 284733300 /nfs/dbraw/zinc/73/33/00/284733300.db2.gz FOINZGUSAUMKRV-ZNMIVQPWSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cccn1C ZINC000657572918 412903649 /nfs/dbraw/zinc/90/36/49/412903649.db2.gz FXLKMTIWZVPARX-AWEZNQCLSA-N 2 0 266.433 1.387 10 0 CDAERP CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000657580165 412908856 /nfs/dbraw/zinc/90/88/56/412908856.db2.gz YUOUWHPSIZMWKB-SIRPWMCASA-N 2 0 296.455 1.769 10 0 CDAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccncc3)cc2)C1 ZINC000657594307 412922626 /nfs/dbraw/zinc/92/26/26/412922626.db2.gz IECGMLAZLBLJGU-SFHVURJKSA-N 2 0 297.402 1.938 10 0 CDAERP C[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]C/C=C\Cl)C2)CC1 ZINC001662681118 1172580806 /nfs/dbraw/zinc/58/08/06/1172580806.db2.gz YYXJKEMKSCFRCF-XYRDXQRHSA-N 2 0 299.846 1.519 10 0 CDAERP C[NH+](C)CCCC(C)(C)NC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655930640 412937566 /nfs/dbraw/zinc/93/75/66/412937566.db2.gz BEPMOOGYNGXRGW-VIFPVBQESA-N 2 0 298.353 1.296 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)NCC[C@H](C)[NH+](C)C)CC1 ZINC000663894030 412940694 /nfs/dbraw/zinc/94/06/94/412940694.db2.gz SJSRMXPWIQKKHL-AWEZNQCLSA-N 2 0 298.475 1.748 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000662388454 412950920 /nfs/dbraw/zinc/95/09/20/412950920.db2.gz QMAWZCZLSPVJPW-CABCVRRESA-N 2 0 283.460 1.988 10 0 CDAERP CC[NH2+][C@@](C)(CO)CCCC[NH+]1CCC(OC)CC1 ZINC000085240032 184607790 /nfs/dbraw/zinc/60/77/90/184607790.db2.gz WKIUWHPHKCHQNX-OAHLLOKOSA-N 2 0 272.433 1.628 10 0 CDAERP Cc1nc(NC[C@@H]2CC[N@@H+](CC(C)C)C2)nc(N(C)C)n1 ZINC000490081409 253028987 /nfs/dbraw/zinc/02/89/87/253028987.db2.gz RIYJCYYLLQNNEG-ZDUSSCGKSA-N 2 0 292.431 1.058 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1 ZINC000655970767 412984044 /nfs/dbraw/zinc/98/40/44/412984044.db2.gz LLZUGNUZPMUWEN-AYDFFVQHSA-N 2 0 294.443 1.097 10 0 CDAERP CN(C)c1ccncc1C[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000657703876 412990839 /nfs/dbraw/zinc/99/08/39/412990839.db2.gz CKWKXRHRSOHHMZ-UONOGXRCSA-N 2 0 261.369 1.541 10 0 CDAERP CC[NH+]1CCC(N[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000353448678 285191969 /nfs/dbraw/zinc/19/19/69/285191969.db2.gz OAFNJOKXQFOWCM-OAGGEKHMSA-N 2 0 265.445 1.933 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC3(CC[NH2+]C3)CC2)C1 ZINC000335285902 285229958 /nfs/dbraw/zinc/22/99/58/285229958.db2.gz UFZRPERBIOTJCL-CQSZACIVSA-N 2 0 294.443 1.256 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000245661247 285230797 /nfs/dbraw/zinc/23/07/97/285230797.db2.gz DEDKGPINRYXYGI-KFWWJZLASA-N 2 0 294.443 1.349 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CC12CC2 ZINC000421757361 285246735 /nfs/dbraw/zinc/24/67/35/285246735.db2.gz MVYOYOWEGCRTTQ-CABCVRRESA-N 2 0 293.455 1.661 10 0 CDAERP C[NH+](C)C[C@@H](NC(=O)[C@@H]1CCCCC[NH2+]1)c1ccccc1 ZINC000080998520 177751947 /nfs/dbraw/zinc/75/19/47/177751947.db2.gz CPVUPYPPOIAVGB-JKSUJKDBSA-N 2 0 289.423 1.938 10 0 CDAERP c1cc(CC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)sn1 ZINC000925732676 781989895 /nfs/dbraw/zinc/98/98/95/781989895.db2.gz QZPHBPKQSSDLQA-BFHYXJOUSA-N 2 0 281.425 1.432 10 0 CDAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCC[NH3+] ZINC000398213370 390246869 /nfs/dbraw/zinc/24/68/69/390246869.db2.gz TWMGRDAGVCDHJR-GDBMZVCRSA-N 2 0 261.413 1.835 10 0 CDAERP C[N@@H+]1C[C@@H](C[NH2+][C@H]2CCOC2)[C@H](c2ccccc2)C1 ZINC000647248777 390656853 /nfs/dbraw/zinc/65/68/53/390656853.db2.gz BXIOJHSXXOTGPF-PMPSAXMXSA-N 2 0 260.381 1.710 10 0 CDAERP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000573905351 390659697 /nfs/dbraw/zinc/65/96/97/390659697.db2.gz KUOHZAIKPYXVAG-XJKSGUPXSA-N 2 0 281.444 1.613 10 0 CDAERP CC[NH+]1CCC([NH2+]CC(C)(C)[C@@]2(O)CCOC2)CC1 ZINC000647338826 390943134 /nfs/dbraw/zinc/94/31/34/390943134.db2.gz AMOGMWRRCNEOPE-OAHLLOKOSA-N 2 0 270.417 1.238 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)CC[NH2+]1 ZINC000648185735 390946767 /nfs/dbraw/zinc/94/67/67/390946767.db2.gz DIHDNCSFFACDEU-RWMBFGLXSA-N 2 0 265.401 1.165 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@H](C(=O)C3CC3)C2)CC[NH2+]1 ZINC000415109255 391025073 /nfs/dbraw/zinc/02/50/73/391025073.db2.gz QXILRCDILSHQPJ-BZPMIXESSA-N 2 0 266.385 1.054 10 0 CDAERP c1cncc(CNCCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647546496 390990142 /nfs/dbraw/zinc/99/01/42/390990142.db2.gz MNTPXJSKGAMLLI-BRWVUGGUSA-N 2 0 288.439 1.539 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(C)c(C)n1 ZINC000314060286 391120711 /nfs/dbraw/zinc/12/07/11/391120711.db2.gz RMQSAPJTJQCACL-CQSZACIVSA-N 2 0 251.374 1.542 10 0 CDAERP C(C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)OCC1CC1 ZINC000647903805 391202662 /nfs/dbraw/zinc/20/26/62/391202662.db2.gz QFMBWGPISDGCRT-HUUCEWRRSA-N 2 0 252.402 1.877 10 0 CDAERP O=C([C@H]1CCCC[NH2+]1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000648104127 391336189 /nfs/dbraw/zinc/33/61/89/391336189.db2.gz NJWHIEOLLUISLW-HZSPNIEDSA-N 2 0 265.401 1.119 10 0 CDAERP C[C@]1(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)CCC[NH2+]C1 ZINC000648104978 391338745 /nfs/dbraw/zinc/33/87/45/391338745.db2.gz SUEYEBFSQJGJFW-FMKPAKJESA-N 2 0 279.428 1.367 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000346244216 391344973 /nfs/dbraw/zinc/34/49/73/391344973.db2.gz QPDYHAZUGIDOCN-YZDRTPDPSA-N 2 0 293.455 1.991 10 0 CDAERP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000246245484 391372272 /nfs/dbraw/zinc/37/22/72/391372272.db2.gz HEPPLDMHVOVQHX-YJNKXOJESA-N 2 0 281.444 1.739 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](O)C2(C)C)[C@H]2CCC[C@@H]21 ZINC000353671062 391399332 /nfs/dbraw/zinc/39/93/32/391399332.db2.gz JJLVZWLJYKLCIG-HTOAHKCRSA-N 2 0 252.402 1.608 10 0 CDAERP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000335428549 391431153 /nfs/dbraw/zinc/43/11/53/391431153.db2.gz HWSPIKXIRNYLCP-HIFRSBDPSA-N 2 0 273.380 1.071 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000417828420 391497950 /nfs/dbraw/zinc/49/79/50/391497950.db2.gz HDAQMJNUKIMRHK-CHWSQXEVSA-N 2 0 267.417 1.413 10 0 CDAERP OCCC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000647793215 391631329 /nfs/dbraw/zinc/63/13/29/391631329.db2.gz PONRYWHSBHSRBM-MGPQQGTHSA-N 2 0 252.402 1.517 10 0 CDAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000417931110 533665384 /nfs/dbraw/zinc/66/53/84/533665384.db2.gz LAAUJXJZRXYQRE-PPWQZUPISA-N 2 0 296.459 1.404 10 0 CDAERP CC[N@H+](CCNC(=O)N(C)[C@@H]1CC[NH+](C2CC2)C1)C(C)C ZINC000350089014 391595003 /nfs/dbraw/zinc/59/50/03/391595003.db2.gz OSIWPUCTDJDFDP-OAHLLOKOSA-N 2 0 296.459 1.595 10 0 CDAERP CO[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647796456 391646227 /nfs/dbraw/zinc/64/62/27/391646227.db2.gz ACBFIIXZBZFIJI-RMEBNNNOSA-N 2 0 252.402 1.922 10 0 CDAERP COC[C@H](C)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000527365822 391654192 /nfs/dbraw/zinc/65/41/92/391654192.db2.gz BHXQBFVLFNKYOL-APIJFGDWSA-N 2 0 270.417 1.452 10 0 CDAERP Cn1cnc(CCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)n1 ZINC000647801275 391664358 /nfs/dbraw/zinc/66/43/58/391664358.db2.gz UFXFXEYHHGGFSG-BFHYXJOUSA-N 2 0 277.416 1.258 10 0 CDAERP C[N@@H+]1CC[C@H](NC[C@H]2CC[NH2+]C2)[C@@H]1c1ccccc1 ZINC000647992536 391699826 /nfs/dbraw/zinc/69/98/26/391699826.db2.gz MZTFOVVMXGDKCM-BPUTZDHNSA-N 2 0 259.397 1.631 10 0 CDAERP CC[C@H](Cn1cncn1)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000353674395 130191409 /nfs/dbraw/zinc/19/14/09/130191409.db2.gz IZRMIQBBPUWMPL-CQSZACIVSA-N 2 0 279.432 1.768 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000418197341 391798090 /nfs/dbraw/zinc/79/80/90/391798090.db2.gz JEXOSUAQPSXPJS-MGPQQGTHSA-N 2 0 284.448 1.404 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000372424446 391852589 /nfs/dbraw/zinc/85/25/89/391852589.db2.gz FGBKGAOFJLPYGY-PEUVFPKISA-N 2 0 252.402 1.564 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+]1CC[C@@H](C)C1 ZINC000525803903 391933519 /nfs/dbraw/zinc/93/35/19/391933519.db2.gz ZUFGINWQKSCNBY-ZIAGYGMSSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@@H]1CC[NH2+][C@H](C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000649319227 392010342 /nfs/dbraw/zinc/01/03/42/392010342.db2.gz PUIKMJLXMAAFGF-RISCZKNCSA-N 2 0 285.351 1.594 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC000525107135 391948268 /nfs/dbraw/zinc/94/82/68/391948268.db2.gz MOOJVNVWKQCNCE-MCIONIFRSA-N 2 0 267.417 1.127 10 0 CDAERP C[NH+](C)C[C@H]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000365593267 391959824 /nfs/dbraw/zinc/95/98/24/391959824.db2.gz CMKQSFXADXRZMO-CJNGLKHVSA-N 2 0 299.434 1.609 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000649354213 392091004 /nfs/dbraw/zinc/09/10/04/392091004.db2.gz QEZATFRWUOKSEE-QKPAOTATSA-N 2 0 293.455 1.850 10 0 CDAERP CC(C)[C@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000336786920 392061423 /nfs/dbraw/zinc/06/14/23/392061423.db2.gz JRJAPXXJUQLCET-LSDHHAIUSA-N 2 0 254.418 1.667 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC[NH+](C)C2CC2)[C@@H](C)C1 ZINC000448526327 392229875 /nfs/dbraw/zinc/22/98/75/392229875.db2.gz ZBJRMMQNIAJYER-DZGCQCFKSA-N 2 0 296.459 1.452 10 0 CDAERP CCSCC[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000433027716 392320640 /nfs/dbraw/zinc/32/06/40/392320640.db2.gz WNGGWFLLSQTNPO-ZDUSSCGKSA-N 2 0 260.447 1.830 10 0 CDAERP COc1ncccc1CC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423144373 392383182 /nfs/dbraw/zinc/38/31/82/392383182.db2.gz YTRVMSADXRVGEJ-GXTWGEPZSA-N 2 0 263.385 1.610 10 0 CDAERP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@](C)(c2ccccc2)C1 ZINC000568164760 392378204 /nfs/dbraw/zinc/37/82/04/392378204.db2.gz ZICDFNYZMODMAX-DLBZAZTESA-N 2 0 276.424 1.963 10 0 CDAERP OCCN1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423149558 392389434 /nfs/dbraw/zinc/38/94/34/392389434.db2.gz XTXSMFFIBBYHNP-WCXIOVBPSA-N 2 0 295.471 1.344 10 0 CDAERP Cc1cc(C[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)ccn1 ZINC000423153475 392391462 /nfs/dbraw/zinc/39/14/62/392391462.db2.gz GROOSGHUJWQZFS-CABCVRRESA-N 2 0 261.369 1.247 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000568185210 392393829 /nfs/dbraw/zinc/39/38/29/392393829.db2.gz XXACGRITTRAWJB-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)(C)[C@H]1CC[C@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423190120 392430349 /nfs/dbraw/zinc/43/03/49/392430349.db2.gz RRHOHIHSKXEMOF-UONOGXRCSA-N 2 0 253.434 1.696 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](CO)c1ccc(F)cc1 ZINC000423195303 392433180 /nfs/dbraw/zinc/43/31/80/392433180.db2.gz XPTBSMPRDQWLTJ-DZGCQCFKSA-N 2 0 284.375 1.245 10 0 CDAERP C[C@@H]([N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1)C1(C)CC1 ZINC000437541311 392459189 /nfs/dbraw/zinc/45/91/89/392459189.db2.gz BTTWHJDGXZAVIZ-CYBMUJFWSA-N 2 0 293.455 1.850 10 0 CDAERP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000646394497 392408526 /nfs/dbraw/zinc/40/85/26/392408526.db2.gz WMOCHKWHPFACBU-OLZOCXBDSA-N 2 0 269.433 1.741 10 0 CDAERP COc1ccc([C@H](NCCCC[NH3+])[C@H]2CCC[NH2+]2)cc1 ZINC000423330004 392518823 /nfs/dbraw/zinc/51/88/23/392518823.db2.gz PJJSHAAVVACJMO-CVEARBPZSA-N 2 0 277.412 1.817 10 0 CDAERP O=C(C[C@H]1CC[NH2+]C1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000645889357 392471612 /nfs/dbraw/zinc/47/16/12/392471612.db2.gz FMBKIKCEKUIUPJ-LLVKDONJSA-N 2 0 271.324 1.205 10 0 CDAERP C[C@H]([NH3+])[C@H](C)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000645889371 392471808 /nfs/dbraw/zinc/47/18/08/392471808.db2.gz GNWHYOVRDXRKFG-UWVGGRQHSA-N 2 0 259.313 1.189 10 0 CDAERP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)cc1 ZINC000423293250 392491682 /nfs/dbraw/zinc/49/16/82/392491682.db2.gz QNTMMISGPUTQFX-VUCTXSBTSA-N 2 0 289.423 1.563 10 0 CDAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC1C[NH2+]C1 ZINC000423304927 392500433 /nfs/dbraw/zinc/50/04/33/392500433.db2.gz PXDGOUBCFQXNRK-WMLDXEAASA-N 2 0 273.424 1.706 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000646656937 392623669 /nfs/dbraw/zinc/62/36/69/392623669.db2.gz XUCGTABBEJVKJE-ZIAGYGMSSA-N 2 0 267.417 1.591 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000176462159 392726562 /nfs/dbraw/zinc/72/65/62/392726562.db2.gz ZHAUWPWWYBTXIT-GOOCMWNKSA-N 2 0 296.459 1.641 10 0 CDAERP C[C@H]([NH2+]CCC(=O)NC(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC000521225880 392947633 /nfs/dbraw/zinc/94/76/33/392947633.db2.gz FPKWRDWIJRMAAT-NWDGAFQWSA-N 2 0 255.406 1.269 10 0 CDAERP C[C@@H](C[NH2+]C1CC(CF)(CF)C1)N1CC[NH+](C)CC1 ZINC000657872291 413064967 /nfs/dbraw/zinc/06/49/67/413064967.db2.gz MPZGWAMPZIQBFF-LBPRGKRZSA-N 2 0 275.387 1.300 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000245409455 140265632 /nfs/dbraw/zinc/26/56/32/140265632.db2.gz MKNNCJVVVRKYKT-LJISPDSOSA-N 2 0 281.444 1.706 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000249614282 140296143 /nfs/dbraw/zinc/29/61/43/140296143.db2.gz OVZIUKVDQMPOCJ-QPSCCSFWSA-N 2 0 279.428 1.508 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000261642479 140367116 /nfs/dbraw/zinc/36/71/16/140367116.db2.gz LKWQXYDQUIXCGA-ILXRZTDVSA-N 2 0 281.444 1.755 10 0 CDAERP CN(C)C(=O)c1ccc(CN2CC[C@@H]([NH3+])C(C)(C)C2)[nH]1 ZINC000261711564 140379007 /nfs/dbraw/zinc/37/90/07/140379007.db2.gz MOMUUJQYRWGKDM-CYBMUJFWSA-N 2 0 278.400 1.276 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@H]([NH3+])CC2CCCCC2)C1 ZINC000261726011 140381784 /nfs/dbraw/zinc/38/17/84/140381784.db2.gz KRHXIEFHXBHRIG-LSDHHAIUSA-N 2 0 281.444 1.885 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261734424 140382976 /nfs/dbraw/zinc/38/29/76/140382976.db2.gz MEFNGGXXOITKTE-LXTVHRRPSA-N 2 0 273.380 1.067 10 0 CDAERP CC[C@]1(C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)CCC[NH2+]1 ZINC000261806812 140391960 /nfs/dbraw/zinc/39/19/60/140391960.db2.gz HGIQDCCYRTYEAP-BXUZGUMPSA-N 2 0 253.390 1.104 10 0 CDAERP CN(C)C(=O)CC1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261876306 140402292 /nfs/dbraw/zinc/40/22/92/140402292.db2.gz PZPNIBJCJSVUOT-HNNXBMFYSA-N 2 0 267.417 1.176 10 0 CDAERP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccc(-c2ccncc2)c1 ZINC000263203161 140457031 /nfs/dbraw/zinc/45/70/31/140457031.db2.gz JIPIXFLKFNLMBX-IAGOWNOFSA-N 2 0 283.375 1.419 10 0 CDAERP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCC1([NH3+])CCCCCC1 ZINC000334937074 140593487 /nfs/dbraw/zinc/59/34/87/140593487.db2.gz SJHDYKVBTOYHJT-OLZOCXBDSA-N 2 0 282.432 1.417 10 0 CDAERP COC[C@@H](CC(C)(C)C)[NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000656193395 413086795 /nfs/dbraw/zinc/08/67/95/413086795.db2.gz JTNWIBUNOSZKIL-UONOGXRCSA-N 2 0 299.459 1.225 10 0 CDAERP CCC(C)(C)[NH+]1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000656193370 413088935 /nfs/dbraw/zinc/08/89/35/413088935.db2.gz IHCXISIDRVGEPA-OAHLLOKOSA-N 2 0 253.434 1.792 10 0 CDAERP O=C(c1cc2c(s1)CC[NH2+]C2)N1CC[NH+]2CCC1CC2 ZINC000662529713 413098970 /nfs/dbraw/zinc/09/89/70/413098970.db2.gz AWJXQCQSURFBJZ-UHFFFAOYSA-N 2 0 291.420 1.314 10 0 CDAERP Cc1cc(NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc[nH+]1 ZINC000656211558 413110990 /nfs/dbraw/zinc/11/09/90/413110990.db2.gz VSEJQAMWANLRCG-MCIONIFRSA-N 2 0 263.385 1.722 10 0 CDAERP O[C@H](CC[NH2+]C1CCN([C@@H]2CCOC2)CC1)C(F)(F)F ZINC000656262157 413145581 /nfs/dbraw/zinc/14/55/81/413145581.db2.gz PKWPWWXIDZMDPZ-VXGBXAGGSA-N 2 0 296.333 1.143 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000417678055 397634209 /nfs/dbraw/zinc/63/42/09/397634209.db2.gz ITWVDYCTQPCXJU-HZSPNIEDSA-N 2 0 298.475 1.650 10 0 CDAERP CCCCOC[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300298477 398088051 /nfs/dbraw/zinc/08/80/51/398088051.db2.gz MJMACMPGFNGAJN-QLFBSQMISA-N 2 0 270.417 1.380 10 0 CDAERP COC[C@H](CC[NH2+]C1CC[NH+](CC2CC2)CC1)OC ZINC000658084607 413187246 /nfs/dbraw/zinc/18/72/46/413187246.db2.gz MYCJXFRIPWFYSH-HNNXBMFYSA-N 2 0 270.417 1.502 10 0 CDAERP Cc1c[nH+]ccc1NCCN(C)CCC[NH+](C)C ZINC000664248244 413188404 /nfs/dbraw/zinc/18/84/04/413188404.db2.gz RAXHGCYRFOJANQ-UHFFFAOYSA-N 2 0 250.390 1.107 10 0 CDAERP COc1c(C[N@H+](C)CC2CC[NH+](C)CC2)c(C)nn1C ZINC000093089069 147035156 /nfs/dbraw/zinc/03/51/56/147035156.db2.gz XMNNEHUSZWQXKN-UHFFFAOYSA-N 2 0 280.416 1.511 10 0 CDAERP CO[C@@H](C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)[C@H]1CCOC1 ZINC000660541970 413217320 /nfs/dbraw/zinc/21/73/20/413217320.db2.gz LLULZCCEPSVXPJ-DRFQVBMSSA-N 2 0 282.428 1.595 10 0 CDAERP C[C@H]([NH3+])CCC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000248840104 148891777 /nfs/dbraw/zinc/89/17/77/148891777.db2.gz FREAFGPGCMYRAD-ZNMIVQPWSA-N 2 0 283.460 1.988 10 0 CDAERP CCC[C@](C)([NH3+])C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000262173965 149028569 /nfs/dbraw/zinc/02/85/69/149028569.db2.gz XTOXUENMNTWOMA-CJNGLKHVSA-N 2 0 297.443 1.216 10 0 CDAERP C[N@H+](C[C@H](O)CC(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000307932830 149183882 /nfs/dbraw/zinc/18/38/82/149183882.db2.gz GFFFXMHEJWNDSL-AYLPWXGPSA-N 2 0 280.334 1.857 10 0 CDAERP CC(C)[NH2+]C1CCN(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000334959698 150119070 /nfs/dbraw/zinc/11/90/70/150119070.db2.gz RCIQMFCSMWDQPW-JSGCOSHPSA-N 2 0 282.432 1.156 10 0 CDAERP CN(C(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)C1CCCCC1 ZINC000334998142 150166946 /nfs/dbraw/zinc/16/69/46/150166946.db2.gz KTDWUWNZTBVZRR-GASCZTMLSA-N 2 0 293.455 1.709 10 0 CDAERP [NH3+][C@@H](CC1CCCCC1)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000335044185 150221867 /nfs/dbraw/zinc/22/18/67/150221867.db2.gz UJEVQZLRAHIKTR-HNNXBMFYSA-N 2 0 293.455 1.886 10 0 CDAERP CC1=CC[N@H+](CCNC(=O)N2CC[NH2+][C@@H](C)[C@H]2C)CC1 ZINC000335186521 150384474 /nfs/dbraw/zinc/38/44/74/150384474.db2.gz KAHWSOBMXHEAPP-UONOGXRCSA-N 2 0 280.416 1.030 10 0 CDAERP C[NH+](C)CC(C)(C)CNC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662661044 413267179 /nfs/dbraw/zinc/26/71/79/413267179.db2.gz IIOMPGWTQUJEMI-UHFFFAOYSA-N 2 0 282.388 1.186 10 0 CDAERP CCC[NH+]1CCC(NC(=O)c2cc(C(C)(C)[NH3+])no2)CC1 ZINC000662670882 413285639 /nfs/dbraw/zinc/28/56/39/413285639.db2.gz KGUAMUNFOIWXFS-UHFFFAOYSA-N 2 0 294.399 1.473 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+][C@H](CCC[NH3+])COC)C12CCC2 ZINC000422784215 286403443 /nfs/dbraw/zinc/40/34/43/286403443.db2.gz PHPDEBOPVQFNFX-HZSPNIEDSA-N 2 0 270.417 1.678 10 0 CDAERP [NH3+]Cc1ccc(-n2cc(C3CC[NH2+]CC3)nn2)cc1 ZINC000656459714 413291319 /nfs/dbraw/zinc/29/13/19/413291319.db2.gz AEFOOWGBSIOKJE-UHFFFAOYSA-N 2 0 257.341 1.193 10 0 CDAERP CCC[NH+](CCC)CCCC(=O)N1CC2CC1(C[NH3+])C2 ZINC000662678583 413292649 /nfs/dbraw/zinc/29/26/49/413292649.db2.gz GSXYTGUKAWJQNA-UHFFFAOYSA-N 2 0 281.444 1.838 10 0 CDAERP COc1c[nH+]ccc1N1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000355653596 157168520 /nfs/dbraw/zinc/16/85/20/157168520.db2.gz QSNOXIQIESGOGD-CQSZACIVSA-N 2 0 291.395 1.639 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662711197 413365772 /nfs/dbraw/zinc/36/57/72/413365772.db2.gz LSFKQGSQTVTDRV-MCIONIFRSA-N 2 0 281.444 1.754 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000662728884 413393335 /nfs/dbraw/zinc/39/33/35/413393335.db2.gz IUCROPSJOYXNSF-UHFFFAOYSA-N 2 0 293.455 1.899 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC000362894921 159264138 /nfs/dbraw/zinc/26/41/38/159264138.db2.gz GGODMHJYJRLTOA-INIZCTEOSA-N 2 0 295.471 1.812 10 0 CDAERP CN1CC[NH+](CC2(C)CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000367563915 159502793 /nfs/dbraw/zinc/50/27/93/159502793.db2.gz FWKCOWNQIHBWKU-HNNXBMFYSA-N 2 0 281.444 1.125 10 0 CDAERP C([C@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000662255263 411634346 /nfs/dbraw/zinc/63/43/46/411634346.db2.gz CQKAQELHXITKCC-HUUCEWRRSA-N 2 0 280.412 1.400 10 0 CDAERP C[C@H]1C[NH+](CCC(=O)Nc2ccccc2C[NH3+])C[C@H](C)O1 ZINC000022153044 171360157 /nfs/dbraw/zinc/36/01/57/171360157.db2.gz VZHDSOSZWBLFBT-STQMWFEESA-N 2 0 291.395 1.583 10 0 CDAERP CC[NH+]1CCN([C@H](C)C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000022214897 171375374 /nfs/dbraw/zinc/37/53/74/171375374.db2.gz BYBGOXNSHAAOOD-CYBMUJFWSA-N 2 0 290.411 1.110 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000653175794 412115044 /nfs/dbraw/zinc/11/50/44/412115044.db2.gz AQUBIRSGRTXJKW-OAHLLOKOSA-N 2 0 277.412 1.781 10 0 CDAERP CC[C@H](C)[C@H]([NH3+])C(=O)NCCC[N@H+](C)CC(C)C ZINC000653175964 412116695 /nfs/dbraw/zinc/11/66/95/412116695.db2.gz HFCOQVXNUNVFTQ-STQMWFEESA-N 2 0 257.422 1.454 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)c1csc(CC[NH3+])n1 ZINC000653176070 412116924 /nfs/dbraw/zinc/11/69/24/412116924.db2.gz JPIYMEOOJARSNI-UHFFFAOYSA-N 2 0 298.456 1.352 10 0 CDAERP [NH3+]C1(CC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000662805696 413524977 /nfs/dbraw/zinc/52/49/77/413524977.db2.gz MHUNFWIDGPIMIU-OCCSQVGLSA-N 2 0 277.412 1.343 10 0 CDAERP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654661044 413551362 /nfs/dbraw/zinc/55/13/62/413551362.db2.gz NCPBFWPFMCQODH-BYNSBNAKSA-N 2 0 296.459 1.308 10 0 CDAERP CCc1noc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC000311189101 413552566 /nfs/dbraw/zinc/55/25/66/413552566.db2.gz BZEMTYKXNDWDCT-PHIMTYICSA-N 2 0 250.346 1.063 10 0 CDAERP C[NH+](C)[C@@H]1C[C@H](CNC(=O)NCC2(C)CC[NH+](C)CC2)C1 ZINC000654662688 413555602 /nfs/dbraw/zinc/55/56/02/413555602.db2.gz YXGNBWVRJNRERN-OKILXGFUSA-N 2 0 296.459 1.358 10 0 CDAERP [NH3+]Cc1ccccc1OCC[NH+]1CCSCC1 ZINC000035725286 172379984 /nfs/dbraw/zinc/37/99/84/172379984.db2.gz WIROFSCJMOUPCK-UHFFFAOYSA-N 2 0 252.383 1.573 10 0 CDAERP CC(C)[N@H+](C)C[C@@H](O)C[NH2+]CC[C@@]1(C)CC1(F)F ZINC000656714990 413590439 /nfs/dbraw/zinc/59/04/39/413590439.db2.gz POIIXEBTRWFSFM-RYUDHWBXSA-N 2 0 264.360 1.713 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000662866557 413627698 /nfs/dbraw/zinc/62/76/98/413627698.db2.gz MWCUBCOUZZXLDA-KCPJHIHWSA-N 2 0 293.386 1.515 10 0 CDAERP C[C@H]1C[C@H](C[N@H+]2C[C@]3(C)COC[C@]3(C)C2)CC[NH2+]1 ZINC000656787976 413667639 /nfs/dbraw/zinc/66/76/39/413667639.db2.gz BLJBSZMLECYPMX-LJISPDSOSA-N 2 0 252.402 1.733 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000662925918 413711531 /nfs/dbraw/zinc/71/15/31/413711531.db2.gz FSXMICBOITWQRC-HUUCEWRRSA-N 2 0 283.460 1.987 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000662925928 413711819 /nfs/dbraw/zinc/71/18/19/413711819.db2.gz GEVBDHPNEAGKQP-HIFRSBDPSA-N 2 0 263.385 1.350 10 0 CDAERP C[C@@H](NC(=O)NC1CCC([NH3+])CC1)c1nccn1C ZINC000659519568 413917709 /nfs/dbraw/zinc/91/77/09/413917709.db2.gz RYOUUUZHENTLFZ-KPPDAEKUSA-N 2 0 265.361 1.050 10 0 CDAERP [NH3+]CC12CC(C1)CN2C(=O)NCC[NH2+]C1CCCCCC1 ZINC000659523677 413920605 /nfs/dbraw/zinc/92/06/05/413920605.db2.gz MRFUYZZEUMFRAN-UHFFFAOYSA-N 2 0 294.443 1.432 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000659528757 413931868 /nfs/dbraw/zinc/93/18/68/413931868.db2.gz GRZQGZLPKMJKIJ-TZMCWYRMSA-N 2 0 270.421 1.049 10 0 CDAERP CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]CCCc2cncn2C)C1 ZINC000661215442 413894764 /nfs/dbraw/zinc/89/47/64/413894764.db2.gz GHEZUJHMVAPADI-IMJJTQAJSA-N 2 0 295.427 1.508 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407209190 413895547 /nfs/dbraw/zinc/89/55/47/413895547.db2.gz CFAOGFXMLOGSTD-KGLIPLIRSA-N 2 0 267.417 1.317 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000659503669 413898668 /nfs/dbraw/zinc/89/86/68/413898668.db2.gz OTXJAGANUFVFPR-UONOGXRCSA-N 2 0 284.448 1.391 10 0 CDAERP CCCN(CC[NH+]1CCCC1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659614010 414018753 /nfs/dbraw/zinc/01/87/53/414018753.db2.gz QKEZPCAYTUVJFL-UHFFFAOYSA-N 2 0 294.443 1.256 10 0 CDAERP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)[C@@H]1CCOC1 ZINC000665235473 413961412 /nfs/dbraw/zinc/96/14/12/413961412.db2.gz WLJYQAVHYNFIDQ-NQNKBUKLSA-N 2 0 296.455 1.938 10 0 CDAERP Cc1ccncc1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000665238752 413967473 /nfs/dbraw/zinc/96/74/73/413967473.db2.gz CUUVVVSLHXASFM-BZUAXINKSA-N 2 0 259.397 1.910 10 0 CDAERP COCc1csc(C[NH2+][C@@H](CCC[NH3+])COC)c1 ZINC000665263200 413991518 /nfs/dbraw/zinc/99/15/18/413991518.db2.gz IDOMRYZPKHNGDQ-LBPRGKRZSA-N 2 0 272.414 1.738 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CCC[C@@H](C)O1 ZINC000665265506 413994585 /nfs/dbraw/zinc/99/45/85/413994585.db2.gz WYGRWTSZISCROK-XHJNMGKDSA-N 2 0 256.390 1.286 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CC[C@@]1(C)CC1(F)F ZINC000665266841 413998109 /nfs/dbraw/zinc/99/81/09/413998109.db2.gz KQWZWSSAIXLCFS-QWRGUYRKSA-N 2 0 250.333 1.765 10 0 CDAERP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2NCC12CC(C1)C[NH2+]2 ZINC000665279696 414020736 /nfs/dbraw/zinc/02/07/36/414020736.db2.gz JXWDQFBCTCGDLC-QYOULRTFSA-N 2 0 299.418 1.584 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)[C@H]2C[C@H]2C)CC1 ZINC000665289638 414025328 /nfs/dbraw/zinc/02/53/28/414025328.db2.gz SYRCRGPUALTRBQ-NFAWXSAZSA-N 2 0 281.444 1.611 10 0 CDAERP CC[C@H]1CC[C@H]1[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000665288953 414025359 /nfs/dbraw/zinc/02/53/59/414025359.db2.gz BRQQMDXRTHXSJY-DZGCQCFKSA-N 2 0 281.444 1.755 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)CCCCO)CC1 ZINC000665287737 414026327 /nfs/dbraw/zinc/02/63/27/414026327.db2.gz STHAFDDXFDDTIK-CQSZACIVSA-N 2 0 299.459 1.118 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000659621490 414032163 /nfs/dbraw/zinc/03/21/63/414032163.db2.gz GAJSBRNPEPLBNV-BFHYXJOUSA-N 2 0 284.448 1.341 10 0 CDAERP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665292663 414034911 /nfs/dbraw/zinc/03/49/11/414034911.db2.gz GWQUQFLVHZCXPA-GHMZBOCLSA-N 2 0 264.373 1.555 10 0 CDAERP CCC[NH+]1CCC([C@H](C)[NH2+]CCOCCO)CC1 ZINC000037221642 173042581 /nfs/dbraw/zinc/04/25/81/173042581.db2.gz XFMSUITZCLQXSH-ZDUSSCGKSA-N 2 0 258.406 1.095 10 0 CDAERP CC[C@@H](C)[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000037396036 173176910 /nfs/dbraw/zinc/17/69/10/173176910.db2.gz ZXWNIXXAXGIOMW-LLVKDONJSA-N 2 0 253.390 1.118 10 0 CDAERP CCCOc1ccc(C[NH2+]CCN2CC[NH+](C)CC2)cc1 ZINC000037496776 173235451 /nfs/dbraw/zinc/23/54/51/173235451.db2.gz DODNKLOKEIUCTB-UHFFFAOYSA-N 2 0 291.439 1.812 10 0 CDAERP CC[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000665356287 414097297 /nfs/dbraw/zinc/09/72/97/414097297.db2.gz LNRACKFQQZDUQB-ZIAGYGMSSA-N 2 0 296.459 1.595 10 0 CDAERP CC[N@@H+]1CCCN(C(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)CC1 ZINC000665362436 414106174 /nfs/dbraw/zinc/10/61/74/414106174.db2.gz DLNKDKGXNJNQIH-AWEZNQCLSA-N 2 0 296.459 1.596 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cnc3cnccn23)C1 ZINC000655826977 414238016 /nfs/dbraw/zinc/23/80/16/414238016.db2.gz KRWGSIWKKWOUHO-TXEJJXNPSA-N 2 0 259.357 1.159 10 0 CDAERP COCCN1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000663344625 414170113 /nfs/dbraw/zinc/17/01/13/414170113.db2.gz CVAUGSFJWIUEHA-IRXDYDNUSA-N 2 0 295.471 1.419 10 0 CDAERP COc1cccc(C[C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)n1 ZINC000655804881 414198758 /nfs/dbraw/zinc/19/87/58/414198758.db2.gz DXODDTPCNRDLJZ-KCQAQPDRSA-N 2 0 277.412 1.951 10 0 CDAERP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cc2n(n1)CCC2 ZINC000655804364 414198776 /nfs/dbraw/zinc/19/87/76/414198776.db2.gz WRMYZCNCKOQNGY-BZPMIXESSA-N 2 0 262.401 1.820 10 0 CDAERP CCN(C(=O)NCC[NH+](C(C)C)C(C)C)[C@@H]1CC[N@H+](C)C1 ZINC000663420473 414244220 /nfs/dbraw/zinc/24/42/20/414244220.db2.gz OHMNQGJZQIPKBL-OAHLLOKOSA-N 2 0 298.475 1.841 10 0 CDAERP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cn(C2CCC2)nn1 ZINC000657390542 414274599 /nfs/dbraw/zinc/27/45/99/414274599.db2.gz ZOJJTZAXZKPIMC-HNNXBMFYSA-N 2 0 295.431 1.450 10 0 CDAERP COC[C@H](C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)OC ZINC000659944551 414285488 /nfs/dbraw/zinc/28/54/88/414285488.db2.gz MHOOEZMHURCQOF-CABCVRRESA-N 2 0 270.417 1.598 10 0 CDAERP C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1nc2c(s1)C[NH2+]CC2 ZINC000663496106 414292277 /nfs/dbraw/zinc/29/22/77/414292277.db2.gz RMXGQOJJQFMUCC-PWSUYJOCSA-N 2 0 280.441 1.491 10 0 CDAERP C[C@H]1CCCN(Cc2nc3c(s2)C[NH2+]CC3)[C@H]1C[NH3+] ZINC000663496571 414294787 /nfs/dbraw/zinc/29/47/87/414294787.db2.gz WNONWFBKDNDAQT-JQWIXIFHSA-N 2 0 280.441 1.348 10 0 CDAERP CC[NH+](CC)C[C@H]1CC[N@H+](CC2(O)CCSCC2)C1 ZINC000659975448 414311770 /nfs/dbraw/zinc/31/17/70/414311770.db2.gz LNLARQUXWXENFZ-CQSZACIVSA-N 2 0 286.485 1.908 10 0 CDAERP CO[C@]1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCOC1 ZINC000657436889 414331566 /nfs/dbraw/zinc/33/15/66/414331566.db2.gz VAHAXMQVYYBBEA-HNNXBMFYSA-N 2 0 288.351 1.162 10 0 CDAERP OCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657441224 414332460 /nfs/dbraw/zinc/33/24/60/414332460.db2.gz SGXVWDCZGLESOJ-CJNGLKHVSA-N 2 0 286.379 1.908 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N2CC[NH+](CC3CC3)CC2)cc1 ZINC000037816782 173766572 /nfs/dbraw/zinc/76/65/72/173766572.db2.gz RJDXACUCTHXFNK-UHFFFAOYSA-N 2 0 273.380 1.313 10 0 CDAERP C(CC[NH+]1CCC2(COC2)C1)CC[N@@H+]1CCC2(COC2)C1 ZINC000662074240 414500196 /nfs/dbraw/zinc/50/01/96/414500196.db2.gz ULCITIIDGPJMNZ-UHFFFAOYSA-N 2 0 294.439 1.601 10 0 CDAERP COc1ccc(C[N@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)cc1O ZINC000662251373 414586104 /nfs/dbraw/zinc/58/61/04/414586104.db2.gz AVMYFYJJZSOXHR-ZDUSSCGKSA-N 2 0 292.379 1.354 10 0 CDAERP CC[C@H]1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCS1 ZINC000662255786 414589875 /nfs/dbraw/zinc/58/98/75/414589875.db2.gz RNDBNPHMFXVRDO-RYUDHWBXSA-N 2 0 256.415 1.335 10 0 CDAERP Cc1cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)ncn1 ZINC000662274447 414604149 /nfs/dbraw/zinc/60/41/49/414604149.db2.gz IFEDARTZGZDEDD-OAHLLOKOSA-N 2 0 260.385 1.749 10 0 CDAERP OCCC[N@@H+](Cc1ccccc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662283614 414613972 /nfs/dbraw/zinc/61/39/72/414613972.db2.gz BSBUONZQWDHJEL-INIZCTEOSA-N 2 0 290.407 1.392 10 0 CDAERP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@@H]2CCOC2)CCO1 ZINC000662320354 414636970 /nfs/dbraw/zinc/63/69/70/414636970.db2.gz BGVQCNUEXFTWOP-UONOGXRCSA-N 2 0 256.390 1.066 10 0 CDAERP Cc1cc(C)c(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)c(C)c1 ZINC000038031000 174023681 /nfs/dbraw/zinc/02/36/81/174023681.db2.gz GMEGECIROMWQMX-UHFFFAOYSA-N 2 0 289.423 1.475 10 0 CDAERP C[C@@H]1CC[C@@H](C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)O1 ZINC000662322905 414639158 /nfs/dbraw/zinc/63/91/58/414639158.db2.gz JLOCKVSFUDCPPE-KFWWJZLASA-N 2 0 270.417 1.597 10 0 CDAERP CC[C@H](C)[C@H](C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508186 174303694 /nfs/dbraw/zinc/30/36/94/174303694.db2.gz GGQLYDALQHETCG-MELADBBJSA-N 2 0 267.417 1.317 10 0 CDAERP CC(C)[C@H](CNC(=O)C[C@@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000042171360 174651655 /nfs/dbraw/zinc/65/16/55/174651655.db2.gz BPASHOGPOWZFJE-KBPBESRZSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@@H]([NH3+])[C@@H](c1ccc(F)cc1)N1CC[NH+](C2CC2)CC1 ZINC000042915190 174914488 /nfs/dbraw/zinc/91/44/88/174914488.db2.gz SGVKBWHTVUJXFY-WBMJQRKESA-N 2 0 277.387 1.994 10 0 CDAERP C[C@@H]([NH3+])[C@H](c1ccco1)N1CCC(C[NH+](C)C)CC1 ZINC000043335942 175011998 /nfs/dbraw/zinc/01/19/98/175011998.db2.gz AFIQEWWMAPUYNV-IUODEOHRSA-N 2 0 265.401 1.942 10 0 CDAERP C[C@H]([NH3+])[C@H](c1ccccn1)N(C)C1CC[NH+](C)CC1 ZINC000043338856 175013024 /nfs/dbraw/zinc/01/30/24/175013024.db2.gz VMNKTVPGMLYCKC-SWLSCSKDSA-N 2 0 262.401 1.496 10 0 CDAERP CC[C@H]([NH3+])[C@H](c1cccnc1)N(C)C1CC[NH+](C)CC1 ZINC000043345696 175016824 /nfs/dbraw/zinc/01/68/24/175016824.db2.gz VCVNRFFRUCBMTC-HOTGVXAUSA-N 2 0 276.428 1.886 10 0 CDAERP CC(C)[NH+]1CCN([C@H](c2cccnc2)[C@@H](C)[NH3+])CC1 ZINC000043346780 175017265 /nfs/dbraw/zinc/01/72/65/175017265.db2.gz FXQQKHGXPBTZBX-HIFRSBDPSA-N 2 0 262.401 1.496 10 0 CDAERP C[C@H]([NH3+])[C@@H](N1CCC(C[NH+](C)C)CC1)C(F)(F)F ZINC000043378696 175030926 /nfs/dbraw/zinc/03/09/26/175030926.db2.gz UHOSBQBTDWPQCP-GXSJLCMTSA-N 2 0 267.339 1.538 10 0 CDAERP CC(C)C[N@H+](CCC[NH3+])[C@@H](C)C(=O)NC1CCCC1 ZINC000043417301 175038155 /nfs/dbraw/zinc/03/81/55/175038155.db2.gz GAFJWGYISIBNDR-ZDUSSCGKSA-N 2 0 269.433 1.741 10 0 CDAERP C[C@H](C[C@H](C[NH3+])N1CC[NH+](C)CC1)c1ccccc1 ZINC000043534508 175062702 /nfs/dbraw/zinc/06/27/02/175062702.db2.gz VAEANKJYAMGLCY-GDBMZVCRSA-N 2 0 261.413 1.755 10 0 CDAERP CC[NH2+][C@@H]1CCCCC[C@H]1N1CC[NH+](CC)CC1 ZINC000043805987 175108397 /nfs/dbraw/zinc/10/83/97/175108397.db2.gz QRMYPFHYJZVJQA-HUUCEWRRSA-N 2 0 253.434 1.935 10 0 CDAERP C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1cc(C)ccc1OC ZINC000043810548 175109630 /nfs/dbraw/zinc/10/96/30/175109630.db2.gz XWFJPEFMNKYEFU-HNNXBMFYSA-N 2 0 277.412 1.512 10 0 CDAERP C[NH2+][C@@H](CN1CC[NH+](C2CC2)CC1)c1cccc(OC)c1 ZINC000043967557 175128431 /nfs/dbraw/zinc/12/84/31/175128431.db2.gz XFYFYWQUHGQHAI-KRWDZBQOSA-N 2 0 289.423 1.736 10 0 CDAERP C[NH2+][C@@H]1CCCCC[C@H]1N1CC[NH+](C2CC2)CC1 ZINC000043967523 175128528 /nfs/dbraw/zinc/12/85/28/175128528.db2.gz QZAIINDKPMTHFE-HUUCEWRRSA-N 2 0 251.418 1.687 10 0 CDAERP C[NH2+][C@H](CN1CC[NH+](C2CC2)CC1)c1ccc(OC)cc1 ZINC000043967548 175128679 /nfs/dbraw/zinc/12/86/79/175128679.db2.gz RLISVPCCLGXOPC-QGZVFWFLSA-N 2 0 289.423 1.736 10 0 CDAERP CC[NH2+][C@H]1CCCC[C@H]1N1CC[NH+](CC2CC2)CC1 ZINC000043967967 175128945 /nfs/dbraw/zinc/12/89/45/175128945.db2.gz FLMFBOVUVARBPQ-JKSUJKDBSA-N 2 0 265.445 1.935 10 0 CDAERP CCC[NH2+][C@@H](C)[C@@H](C)N(CCOC)[C@@H](C)COC ZINC000043976134 175133097 /nfs/dbraw/zinc/13/30/97/175133097.db2.gz NJRDNTPQTDXVLN-MELADBBJSA-N 2 0 260.422 1.746 10 0 CDAERP C[NH+](C)CC1CC[NH+]([C@H]2COc3ccccc3[C@H]2O)CC1 ZINC000044169774 175148633 /nfs/dbraw/zinc/14/86/33/175148633.db2.gz RHPRRNVPXYGNRQ-DOTOQJQBSA-N 2 0 290.407 1.755 10 0 CDAERP COc1ccc(C)cc1[C@@H](O)C[NH2+]CC1CC[NH+](C)CC1 ZINC000044518162 175190810 /nfs/dbraw/zinc/19/08/10/175190810.db2.gz LMHURNSQMACAQV-INIZCTEOSA-N 2 0 292.423 1.968 10 0 CDAERP C[NH+]1CCC(C[NH2+]C[C@@H](O)COC2CCCC2)CC1 ZINC000044518096 175190997 /nfs/dbraw/zinc/19/09/97/175190997.db2.gz HPADCWNAIYOQOW-CQSZACIVSA-N 2 0 270.417 1.238 10 0 CDAERP [NH3+]C[C@H]1CCC[N@H+](C[C@@H]2COC3(CCCC3)O2)C1 ZINC000044530907 175195208 /nfs/dbraw/zinc/19/52/08/175195208.db2.gz HXYKIUJXUFXLPQ-CHWSQXEVSA-N 2 0 254.374 1.343 10 0 CDAERP C[C@@H]1C[NH2+]C[C@@H](C)CN(C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000044538725 175200860 /nfs/dbraw/zinc/20/08/60/175200860.db2.gz JIXQVRAMDYMELH-RBSFLKMASA-N 2 0 253.434 1.506 10 0 CDAERP CCC[NH2+][C@H]1CCN(C[C@H]2CCCC[N@@H+]2C)C1=O ZINC000044562921 175205877 /nfs/dbraw/zinc/20/58/77/175205877.db2.gz GUXORHNGIWNICN-OLZOCXBDSA-N 2 0 253.390 1.071 10 0 CDAERP C[C@@H]1CCN([C@@H]2CC[N@@H+](C3CC3)C2)CC[C@@H](C)[NH2+]1 ZINC000044678654 175227942 /nfs/dbraw/zinc/22/79/42/175227942.db2.gz XZPUPUODRODYNV-UMVBOHGHSA-N 2 0 251.418 1.686 10 0 CDAERP CC(C)[C@H](C[NH3+])C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC000044804553 175256440 /nfs/dbraw/zinc/25/64/40/175256440.db2.gz WUKHOENJPKJWPD-LBPRGKRZSA-N 2 0 255.406 1.160 10 0 CDAERP CCC[NH2+][C@H]1CCN(C[C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000045135361 175312644 /nfs/dbraw/zinc/31/26/44/175312644.db2.gz JYLTUHWCBPPVRJ-GJZGRUSLSA-N 2 0 253.434 1.791 10 0 CDAERP CC[NH2+][C@](C)(CCCC[N@H+](CC)CC(C)C)C(N)=O ZINC000045381713 175369668 /nfs/dbraw/zinc/36/96/68/175369668.db2.gz QDSPDTFXPFMIEQ-OAHLLOKOSA-N 2 0 271.449 1.988 10 0 CDAERP CCCCC[N@H+](C)CCC[C@](C)([NH2+]CC)C(N)=O ZINC000045388153 175373556 /nfs/dbraw/zinc/37/35/56/175373556.db2.gz OUDUFAAZNFDXPX-AWEZNQCLSA-N 2 0 257.422 1.742 10 0 CDAERP CC[NH2+][C@](C)(CCCC[N@@H+]1CCOC(C)(C)C1)C(N)=O ZINC000045418693 175377518 /nfs/dbraw/zinc/37/75/18/175377518.db2.gz JFGYONFXQFGERC-OAHLLOKOSA-N 2 0 285.432 1.121 10 0 CDAERP COC(=O)[C@@](C)([NH3+])CCC[N@H+](C)CCc1ccncc1 ZINC000045419832 175377604 /nfs/dbraw/zinc/37/76/04/175377604.db2.gz NGWXIIQBDOEYNS-HNNXBMFYSA-N 2 0 279.384 1.227 10 0 CDAERP C[C@@H](CN1CC[C@H]([NH2+]C2CC2)C1=O)C[NH+]1CCCC1 ZINC000071031226 176022570 /nfs/dbraw/zinc/02/25/70/176022570.db2.gz JHTXBUZVNHSMIQ-OCCSQVGLSA-N 2 0 265.401 1.071 10 0 CDAERP CC(C)[NH2+][C@@H]1CCN([C@@H](C)C[NH+]2CCCC2)C1=O ZINC000071033545 176023454 /nfs/dbraw/zinc/02/34/54/176023454.db2.gz XTWATGUCDMLIRD-QWHCGFSZSA-N 2 0 253.390 1.070 10 0 CDAERP CC[NH2+][C@H]1CCN(CC[N@H+](C)C2CCCC2)C1=O ZINC000071043708 176029823 /nfs/dbraw/zinc/02/98/23/176029823.db2.gz KPHCRMKTRBEYGB-ZDUSSCGKSA-N 2 0 253.390 1.071 10 0 CDAERP CC[C@H]1CCC[C@@H]([N@H+](C)CCN2CC[NH2+]CC2)C1 ZINC000071126417 176035947 /nfs/dbraw/zinc/03/59/47/176035947.db2.gz WUIOPLIYPBFMMI-LSDHHAIUSA-N 2 0 253.434 1.792 10 0 CDAERP C[C@@H](C[NH3+])CN1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000071147435 176043306 /nfs/dbraw/zinc/04/33/06/176043306.db2.gz FKERRHUREIIDHI-ILXRZTDVSA-N 2 0 253.434 1.778 10 0 CDAERP COc1ccc([C@@H]([NH3+])CN(C)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000071188723 176063684 /nfs/dbraw/zinc/06/36/84/176063684.db2.gz PNSOMZHCMGGBRA-CJNGLKHVSA-N 2 0 277.412 1.579 10 0 CDAERP C[NH2+][C@H](CN(C)C[C@@H]1CC[N@H+](C)C1)c1ccccc1OC ZINC000071188999 176064956 /nfs/dbraw/zinc/06/49/56/176064956.db2.gz TXFZXWWQHQYIEX-GDBMZVCRSA-N 2 0 291.439 1.839 10 0 CDAERP C[N@H+](C[C@@H]1CC[NH+](C)C1)C[C@@H]1CCCCC[C@@H]1O ZINC000071191601 176069454 /nfs/dbraw/zinc/06/94/54/176069454.db2.gz SKMQYLJXZPEQSS-ILXRZTDVSA-N 2 0 254.418 1.811 10 0 CDAERP CN(C[C@H]1CC[N@H+](C)C1)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000071191284 176070732 /nfs/dbraw/zinc/07/07/32/176070732.db2.gz QUOWUJBLYZCBFJ-HNNXBMFYSA-N 2 0 295.471 1.419 10 0 CDAERP CC[NH+]1CCC(CN2CC[C@H]([NH2+]C3CC3)C2)CC1 ZINC000071200988 176077517 /nfs/dbraw/zinc/07/75/17/176077517.db2.gz ZWJQCEVXJONKKO-HNNXBMFYSA-N 2 0 251.418 1.545 10 0 CDAERP CC(C)[NH2+][C@@H]1CCCN(C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000071200653 176077757 /nfs/dbraw/zinc/07/77/57/176077757.db2.gz CZYCSLQTELDKRU-HUUCEWRRSA-N 2 0 253.434 1.791 10 0 CDAERP C[C@@H]1CCC[C@H](C(=O)NCC[N@H+](C)C2CCCC2)[C@@H]1[NH3+] ZINC000071380139 176144208 /nfs/dbraw/zinc/14/42/08/176144208.db2.gz QMAQFLDVPQYKHE-VHDGCEQUSA-N 2 0 281.444 1.741 10 0 CDAERP C[C@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000071380155 176144599 /nfs/dbraw/zinc/14/45/99/176144599.db2.gz ZBWQCXOMVBNSIB-AEGPPILISA-N 2 0 281.444 1.741 10 0 CDAERP CC(C)OCC[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000071871583 176283393 /nfs/dbraw/zinc/28/33/93/176283393.db2.gz RYIYNVNEJSCHLJ-AWEZNQCLSA-N 2 0 272.433 1.436 10 0 CDAERP C(CN1CCSCC1)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925482108 782021581 /nfs/dbraw/zinc/02/15/81/782021581.db2.gz LDEADCCTRFDNQC-HZPDHXFCSA-N 2 0 297.512 1.793 10 0 CDAERP C[C@@H]1CCN(C(=O)[C@H]2[NH2+]CCCC2(C)C)C[C@@H]1C[NH3+] ZINC000417832297 287563016 /nfs/dbraw/zinc/56/30/16/287563016.db2.gz IMWWRNROPLNZPW-FRRDWIJNSA-N 2 0 267.417 1.208 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001666525264 1173144385 /nfs/dbraw/zinc/14/43/85/1173144385.db2.gz CMRUEGZWSLHRET-UONOGXRCSA-N 2 0 267.417 1.389 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000418550364 287622605 /nfs/dbraw/zinc/62/26/05/287622605.db2.gz AMBVAGMCMHDZDB-KFWWJZLASA-N 2 0 294.443 1.254 10 0 CDAERP CCCCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001666870295 1173197053 /nfs/dbraw/zinc/19/70/53/1173197053.db2.gz JOMJSVOXYAUBAZ-KBPBESRZSA-N 2 0 269.433 1.707 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001666976739 1173214684 /nfs/dbraw/zinc/21/46/84/1173214684.db2.gz KOXIFYLCFNDNPL-OLZOCXBDSA-N 2 0 287.423 1.513 10 0 CDAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655446954 423863460 /nfs/dbraw/zinc/86/34/60/423863460.db2.gz CPAPYLHEQCLMDR-ZBFHGGJFSA-N 2 0 297.362 1.596 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])NCc1nc2c(s1)C[NH2+]CC2 ZINC000663496486 423889177 /nfs/dbraw/zinc/88/91/77/423889177.db2.gz GWBFPCFKRWRSQH-DTWKUNHWSA-N 2 0 254.403 1.004 10 0 CDAERP COCC[C@H]1CCCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662283141 423883050 /nfs/dbraw/zinc/88/30/50/423883050.db2.gz RERNECVIAAFWTJ-CABCVRRESA-N 2 0 282.428 1.646 10 0 CDAERP C[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CCF)[NH+]1CCCCCC1 ZINC001667008493 1173220557 /nfs/dbraw/zinc/22/05/57/1173220557.db2.gz VEKDVYBKNFFFDN-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP C[NH+](C)CCC[C@H]1CN(CC[NH+]2CCCCC2)CCO1 ZINC000662323367 423954452 /nfs/dbraw/zinc/95/44/52/423954452.db2.gz PZMINVUOFQHGTG-INIZCTEOSA-N 2 0 283.460 1.515 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@@H](C)CC[NH3+] ZINC000652211854 424060217 /nfs/dbraw/zinc/06/02/17/424060217.db2.gz MYGZIIKIVFKNMN-LBPRGKRZSA-N 2 0 258.410 1.001 10 0 CDAERP C[C@@H](CNC(=O)C1CCC([NH3+])CC1)[NH+]1CCCC1 ZINC000130936705 424081499 /nfs/dbraw/zinc/08/14/99/424081499.db2.gz IWTBKWPQDKGEKI-HIFPTAJRSA-N 2 0 253.390 1.104 10 0 CDAERP C[C@@H](C[NH2+]C[C@]1(C)CCCS1)CN1CC[NH+](C)CC1 ZINC000628213362 424186506 /nfs/dbraw/zinc/18/65/06/424186506.db2.gz IDYVQKAREBLKNI-GJZGRUSLSA-N 2 0 285.501 1.745 10 0 CDAERP C[C@H](CCNc1nc(N)[nH+]c2c1CCCC2)[NH+](C)C ZINC000664243893 424190605 /nfs/dbraw/zinc/19/06/05/424190605.db2.gz GUWGCAFSCLJDPS-SNVBAGLBSA-N 2 0 263.389 1.690 10 0 CDAERP CCO[C@@H]1CN(CCC[NH+](CC)CC)C[C@H]1C[NH3+] ZINC000652356511 424301951 /nfs/dbraw/zinc/30/19/51/424301951.db2.gz OJPVXXDPCOYZIF-ZIAGYGMSSA-N 2 0 257.422 1.014 10 0 CDAERP CCO[C@@H]1C[N@H+](CCCc2ccccc2OC)C[C@H]1C[NH3+] ZINC000652356482 424303248 /nfs/dbraw/zinc/30/32/48/424303248.db2.gz NDZIQBOFDBIQSO-NVXWUHKLSA-N 2 0 292.423 1.923 10 0 CDAERP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCc2ccccc2[C@@H](C)C1 ZINC000652358766 424309660 /nfs/dbraw/zinc/30/96/60/424309660.db2.gz ZBUOWKPMBXGYGO-XJKSGUPXSA-N 2 0 262.397 1.619 10 0 CDAERP C[C@@H]1CN(C(=O)C2([NH2+]C3CC3)CCC2)C[C@@]1(C)C[NH3+] ZINC000662812333 424502877 /nfs/dbraw/zinc/50/28/77/424502877.db2.gz ADLLUDWFRMWGEO-BXUZGUMPSA-N 2 0 265.401 1.104 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000192672908 270297295 /nfs/dbraw/zinc/29/72/95/270297295.db2.gz XMLIBRNVZPDMDY-MRXNPFEDSA-N 2 0 293.455 1.804 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN[C@H]1CC[NH2+]C12CCC2 ZINC000530177852 271132682 /nfs/dbraw/zinc/13/26/82/271132682.db2.gz IWMYHBDWVFPITI-INIZCTEOSA-N 2 0 297.406 1.950 10 0 CDAERP CC(C)[N@H+](C)CCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001667652482 1173307656 /nfs/dbraw/zinc/30/76/56/1173307656.db2.gz HKSVERJZXDVMHF-ZDUSSCGKSA-N 2 0 255.406 1.127 10 0 CDAERP CC1(C)CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC[C@@H]1[NH3+] ZINC000262139051 276125757 /nfs/dbraw/zinc/12/57/57/276125757.db2.gz XBASEXIIPYGNAP-CRWXNKLISA-N 2 0 279.428 1.493 10 0 CDAERP CC[NH+](CCC[N@@H+](CC)[C@H]1CCOC1)[C@@H]1CCOC1 ZINC000361593074 276343269 /nfs/dbraw/zinc/34/32/69/276343269.db2.gz XYTKNDVHXJIFIS-GASCZTMLSA-N 2 0 270.417 1.598 10 0 CDAERP CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000414005913 276395573 /nfs/dbraw/zinc/39/55/73/276395573.db2.gz OFZVXVXSBULXSR-HUUCEWRRSA-N 2 0 281.444 1.707 10 0 CDAERP C[N@@H+]1CCO[C@H]2CN(c3cc[nH+]c4cc(F)ccc43)C[C@@H]21 ZINC000153106937 277131839 /nfs/dbraw/zinc/13/18/39/277131839.db2.gz KGVQTTJTESCUKR-HOTGVXAUSA-N 2 0 287.338 1.893 10 0 CDAERP CCC[NH2+][C@H](C)C(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000417830182 278842905 /nfs/dbraw/zinc/84/29/05/278842905.db2.gz IXNOLZMUCDEMNL-RDBSUJKOSA-N 2 0 267.417 1.365 10 0 CDAERP CC[N@H+](CCC1CC[NH+]([C@@H]2CCNC2=O)CC1)CC(C)C ZINC000358747333 279177217 /nfs/dbraw/zinc/17/72/17/279177217.db2.gz RYYCUIPAXOZPBS-MRXNPFEDSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@H+](CCNC(=O)N(C)C[C@@H]1CCC[NH+]1CC)C1CC1 ZINC000177488657 279192716 /nfs/dbraw/zinc/19/27/16/279192716.db2.gz UNBTXXPOTKECSB-HNNXBMFYSA-N 2 0 296.459 1.596 10 0 CDAERP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC000292033713 279371808 /nfs/dbraw/zinc/37/18/08/279371808.db2.gz XVTKBHAMQPEJBJ-GFCCVEGCSA-N 2 0 278.400 1.606 10 0 CDAERP CC[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)[C@@H]1CCOC1 ZINC000423508005 280183885 /nfs/dbraw/zinc/18/38/85/280183885.db2.gz KIQJBJGNPGYOTM-RDHHWEPZSA-N 2 0 295.471 1.608 10 0 CDAERP CCN(C)C(=O)CC[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000245698679 280228379 /nfs/dbraw/zinc/22/83/79/280228379.db2.gz SYTAVUBANQZEFT-UONOGXRCSA-N 2 0 269.433 1.517 10 0 CDAERP CCC[C@@H](C(=O)NCC[N@H+](C)[C@H](C)CC)[NH+](C)C ZINC000245760520 280231714 /nfs/dbraw/zinc/23/17/14/280231714.db2.gz IKKRNNLCJIGGMC-OLZOCXBDSA-N 2 0 257.422 1.563 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)N(C)[C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000246140252 280258407 /nfs/dbraw/zinc/25/84/07/280258407.db2.gz BVYVOOWYHZYLMJ-ILXRZTDVSA-N 2 0 296.459 1.452 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2ccccc2CC[NH3+])C1 ZINC000514868929 280854298 /nfs/dbraw/zinc/85/42/98/280854298.db2.gz CANMRJVNRUECLB-LSDHHAIUSA-N 2 0 289.423 1.790 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]CC[C@H]2C)[C@H]1n1cccn1 ZINC000516173677 280925484 /nfs/dbraw/zinc/92/54/84/280925484.db2.gz YQTLPIWOQJVFJM-IBEHDNSVSA-N 2 0 292.427 1.579 10 0 CDAERP Cc1ccccc1[C@H](C)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038030889 281379646 /nfs/dbraw/zinc/37/96/46/281379646.db2.gz CKTUPZQXODMAGN-AWEZNQCLSA-N 2 0 275.396 1.420 10 0 CDAERP C[NH+](C)C1CCC([NH2+][C@H]2CCC(=O)NC2(C)C)CC1 ZINC000334226765 289066380 /nfs/dbraw/zinc/06/63/80/289066380.db2.gz AKYBYIKDBGUNRV-BPCQOVAHSA-N 2 0 267.417 1.506 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)C1CC1 ZINC000262607665 289397159 /nfs/dbraw/zinc/39/71/59/289397159.db2.gz BAIUQZSICYLKAH-APIJFGDWSA-N 2 0 279.428 1.364 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000423228829 289733417 /nfs/dbraw/zinc/73/34/17/289733417.db2.gz FJCHTNQZLRXIEP-NWDGAFQWSA-N 2 0 263.389 1.029 10 0 CDAERP [NH3+]CCCN(CC1CCCC1)C(=O)C=C1CC[NH2+]CC1 ZINC000852880805 782053826 /nfs/dbraw/zinc/05/38/26/782053826.db2.gz OZLOOXBNVLMMBN-UHFFFAOYSA-N 2 0 279.428 1.664 10 0 CDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H]2CC[C@H](C)O2)CC1 ZINC000248965754 290085063 /nfs/dbraw/zinc/08/50/63/290085063.db2.gz QSOXVRYXWBESHN-OFQRWUPVSA-N 2 0 284.444 1.579 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3nc[nH]c3C2)[C@H]2CCC[C@@H]21 ZINC000353622659 290224355 /nfs/dbraw/zinc/22/43/55/290224355.db2.gz MKIHLGATCXFHJM-FOCJUVANSA-N 2 0 274.412 1.729 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000557514189 290349202 /nfs/dbraw/zinc/34/92/02/290349202.db2.gz KNFGAOXEOWCKIF-CQSZACIVSA-N 2 0 289.423 1.706 10 0 CDAERP CC(C)C[C@@H]([NH3+])c1noc(-c2ccnc(C[NH3+])c2)n1 ZINC000568266686 294004412 /nfs/dbraw/zinc/00/44/12/294004412.db2.gz HQGACFKEIFVNEA-LLVKDONJSA-N 2 0 261.329 1.636 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)NCC2CC[NH2+]CC2)CC1 ZINC000568730879 294089058 /nfs/dbraw/zinc/08/90/58/294089058.db2.gz REOLREHMXPBBOA-UHFFFAOYSA-N 2 0 296.459 1.406 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)c2coc(C[NH3+])c2)CC1 ZINC000570681243 294288120 /nfs/dbraw/zinc/28/81/20/294288120.db2.gz KBLRWXRSLQDAHX-UHFFFAOYSA-N 2 0 279.384 1.589 10 0 CDAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@H]2CCCC2(C)C)CC1 ZINC000572993353 294733062 /nfs/dbraw/zinc/73/30/62/294733062.db2.gz ZQNYLCSNZVELKM-CABCVRRESA-N 2 0 283.460 1.011 10 0 CDAERP [NH3+]CC12CCC(CC1)CN2C(=O)CC[C@H]1CC[NH2+]C1 ZINC000573103232 294753787 /nfs/dbraw/zinc/75/37/87/294753787.db2.gz WUPMNOAFMUNRLE-OPFPJEHXSA-N 2 0 265.401 1.106 10 0 CDAERP [NH3+][C@H](CCC(=O)N1CC[NH+]2CCC1CC2)c1ccccc1 ZINC000574450129 295001490 /nfs/dbraw/zinc/00/14/90/295001490.db2.gz FWKLLDHMJHKPPV-MRXNPFEDSA-N 2 0 287.407 1.773 10 0 CDAERP [NH3+][C@@H](CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000574862083 295065083 /nfs/dbraw/zinc/06/50/83/295065083.db2.gz AWXNHEYRLSBYRA-CABCVRRESA-N 2 0 288.395 1.222 10 0 CDAERP [NH3+]CCN(CCc1ccccc1)C[C@H]1CCC[NH2+]C1 ZINC000261672485 295232976 /nfs/dbraw/zinc/23/29/76/295232976.db2.gz CEGNSQDFKMPOOB-INIZCTEOSA-N 2 0 261.413 1.489 10 0 CDAERP [NH3+]Cc1ccc2c(c1)CCCN2C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261994813 295278955 /nfs/dbraw/zinc/27/89/55/295278955.db2.gz SECBWKNGSFOIDL-DZGCQCFKSA-N 2 0 287.407 1.942 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000085369506 295313700 /nfs/dbraw/zinc/31/37/00/295313700.db2.gz HPFGZFUPMDZDKT-HUUCEWRRSA-N 2 0 279.428 1.591 10 0 CDAERP O=C(NCC[C@@H]1CC[NH2+]C1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262411067 295653398 /nfs/dbraw/zinc/65/33/98/295653398.db2.gz DINHFHSJGMKMDL-DGAVXFQQSA-N 2 0 265.401 1.023 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC[C@@H]1CCC[NH2+]C1 ZINC000251883745 297100440 /nfs/dbraw/zinc/10/04/40/297100440.db2.gz UZXDSKLBWBFROS-ILXRZTDVSA-N 2 0 251.418 1.545 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000423397266 297107851 /nfs/dbraw/zinc/10/78/51/297107851.db2.gz OHMHQUBKZPVKJX-QMIVOQANSA-N 2 0 251.418 1.447 10 0 CDAERP C[C@@H]1[C@H]([NH3+])CCN1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000334886900 297799267 /nfs/dbraw/zinc/79/92/67/297799267.db2.gz APTCENQDMWFXLC-DGCLKSJQSA-N 2 0 282.432 1.380 10 0 CDAERP CC[C@@H](C(=O)NC/C=C\C[NH2+]CC1CCOCC1)[NH+](C)C ZINC001669045843 1173497346 /nfs/dbraw/zinc/49/73/46/1173497346.db2.gz MGDYOULGLFXYTN-YVACAVLKSA-N 2 0 297.443 1.015 10 0 CDAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000334887713 300324012 /nfs/dbraw/zinc/32/40/12/300324012.db2.gz IBUKNBCABUQHFU-JSGCOSHPSA-N 2 0 296.459 1.547 10 0 CDAERP CC(C)C[NH2+]C/C=C/CNC(=O)C[N@H+](C)C(C)C ZINC001669207591 1173518068 /nfs/dbraw/zinc/51/80/68/1173518068.db2.gz NFMMYEOPVVNHHJ-VOTSOKGWSA-N 2 0 255.406 1.245 10 0 CDAERP C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000263255282 300819890 /nfs/dbraw/zinc/81/98/90/300819890.db2.gz QKBZZRCIISJSKU-RDJZCZTQSA-N 2 0 293.455 1.981 10 0 CDAERP [NH3+]C1(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)Cc2ccccc2C1 ZINC000377558856 303354018 /nfs/dbraw/zinc/35/40/18/303354018.db2.gz BFKJBCRKJIFHCR-KRWDZBQOSA-N 2 0 299.418 1.085 10 0 CDAERP CO[C@@H](C)C[NH2+]CCCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001670201191 1173663263 /nfs/dbraw/zinc/66/32/63/1173663263.db2.gz QBGSIJLDSZMANM-AWEZNQCLSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@@H]1CN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)[C@@H](C)C[NH2+]1 ZINC000575986171 317052101 /nfs/dbraw/zinc/05/21/01/317052101.db2.gz SMSDOOUKAMQQMH-RDBSUJKOSA-N 2 0 267.417 1.460 10 0 CDAERP COC(=O)CCC1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000578013663 317451697 /nfs/dbraw/zinc/45/16/97/317451697.db2.gz XHYZFXMDIZWGNL-OAHLLOKOSA-N 2 0 268.401 1.651 10 0 CDAERP C[C@@H]([NH3+])C1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000579004967 324080849 /nfs/dbraw/zinc/08/08/49/324080849.db2.gz WXCWZRGKUKONSU-UKRRQHHQSA-N 2 0 281.444 1.837 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000580781214 324559998 /nfs/dbraw/zinc/55/99/98/324559998.db2.gz ZWNPTOKHPRQPQC-UHFFFAOYSA-N 2 0 287.407 1.531 10 0 CDAERP CCC[NH+]1CCC(C[NH2+]C[C@H](O)C(F)(F)F)CC1 ZINC000581246553 324690895 /nfs/dbraw/zinc/69/08/95/324690895.db2.gz ZYYVAIJIUHRKNB-NSHDSACASA-N 2 0 268.323 1.621 10 0 CDAERP [NH3+]Cc1ccc(-c2noc([C@@H]3C[C@@]34CC[NH2+]C4)n2)cc1 ZINC000581823858 324838113 /nfs/dbraw/zinc/83/81/13/324838113.db2.gz JPKZFZMBPQIORA-SWLSCSKDSA-N 2 0 270.336 1.662 10 0 CDAERP c1ccc(NC2CC[NH+](C[C@@H]3COCCO3)CC2)nc1 ZINC000583546326 325195561 /nfs/dbraw/zinc/19/55/61/325195561.db2.gz CDWWYQVYMIPAOZ-CQSZACIVSA-N 2 0 277.368 1.373 10 0 CDAERP CC[C@@]1(CN2CC[NH+](CC(C)C)CC2)CC[NH2+]C1 ZINC000062912440 517796059 /nfs/dbraw/zinc/79/60/59/517796059.db2.gz HKHQJVZZZIBPOX-OAHLLOKOSA-N 2 0 253.434 1.650 10 0 CDAERP C[C@@H](O)CCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000227587198 1159871256 /nfs/dbraw/zinc/87/12/56/1159871256.db2.gz GCJNKOCOEBAZKG-CYBMUJFWSA-N 2 0 263.385 1.801 10 0 CDAERP C[C@@H]([NH2+]CCF)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001422039743 1159940042 /nfs/dbraw/zinc/94/00/42/1159940042.db2.gz AAKSZEVZLSAWRQ-ZIAGYGMSSA-N 2 0 285.407 1.268 10 0 CDAERP CCC[N@@H+]1CC[C@H](N(CC)C(=O)C[NH+]2CCCC2)C1 ZINC001481781879 1159945798 /nfs/dbraw/zinc/94/57/98/1159945798.db2.gz IYHAYSTVIJASMC-AWEZNQCLSA-N 2 0 267.417 1.415 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC1(C[NH2+]CCF)CCCC1 ZINC001269591859 1160064843 /nfs/dbraw/zinc/06/48/43/1160064843.db2.gz JZILKBYJZIFTFW-UHFFFAOYSA-N 2 0 273.396 1.315 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH2+]CCC2(CO)CCC2)[C@H](C)C1 ZINC000652038602 482436010 /nfs/dbraw/zinc/43/60/10/482436010.db2.gz YTBCCHOSJBIZPP-ZIAGYGMSSA-N 2 0 254.418 1.859 10 0 CDAERP C([NH2+]C1CSC1)C1CC[NH+](C2CCOCC2)CC1 ZINC000668441066 482438872 /nfs/dbraw/zinc/43/88/72/482438872.db2.gz UCKMRWBEYOGPPK-UHFFFAOYSA-N 2 0 270.442 1.582 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000652291640 482459015 /nfs/dbraw/zinc/45/90/15/482459015.db2.gz ATMGYVMUMYVMMJ-OAHLLOKOSA-N 2 0 290.411 1.299 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000652291748 482459022 /nfs/dbraw/zinc/45/90/22/482459022.db2.gz GKDJXFSSMLVTBM-OLZOCXBDSA-N 2 0 290.411 1.298 10 0 CDAERP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](CC3CC3)C2)[C@@H]2CCC[C@H]21 ZINC000671746787 482542898 /nfs/dbraw/zinc/54/28/98/482542898.db2.gz IVBNZAASAZRELV-LTIDMASMSA-N 2 0 277.456 1.933 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000417284723 482578298 /nfs/dbraw/zinc/57/82/98/482578298.db2.gz FVBJXKFDDXHNNP-GDBMZVCRSA-N 2 0 296.459 1.502 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000669286453 482647897 /nfs/dbraw/zinc/64/78/97/482647897.db2.gz WNQAGQCGRNRZBL-CHWSQXEVSA-N 2 0 270.421 1.158 10 0 CDAERP CC(C)[C@H](C(=O)N1CC[C@]2(C1)CCC[NH2+]C2)[NH+](C)C ZINC000334207135 482710199 /nfs/dbraw/zinc/71/01/99/482710199.db2.gz DQKANMBMDVIOGZ-UKRRQHHQSA-N 2 0 267.417 1.175 10 0 CDAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C1CC[NH2+]CC1 ZINC000082280769 482776198 /nfs/dbraw/zinc/77/61/98/482776198.db2.gz KAFSPZIACMNYCY-UHFFFAOYSA-N 2 0 271.324 1.205 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000673703345 482822171 /nfs/dbraw/zinc/82/21/71/482822171.db2.gz OUJZKITWFYSZCI-GJZGRUSLSA-N 2 0 294.443 1.208 10 0 CDAERP O=C([C@@H]1C[NH2+]Cc2ccccc21)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000335452561 482833466 /nfs/dbraw/zinc/83/34/66/482833466.db2.gz MRSIGNCFYYWLNR-SJLPKXTDSA-N 2 0 299.418 1.476 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)N[C@H](C[NH3+])C2CCCCC2)C1 ZINC000669403006 482887010 /nfs/dbraw/zinc/88/70/10/482887010.db2.gz DSAZZWHTBKBERE-UONOGXRCSA-N 2 0 282.432 1.287 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)C1 ZINC000669403304 482888582 /nfs/dbraw/zinc/88/85/82/482888582.db2.gz TWVOICPPVHBXLR-GJZGRUSLSA-N 2 0 294.443 1.112 10 0 CDAERP O=C(CC[C@H]1CCC[NH2+]1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000312063210 482894767 /nfs/dbraw/zinc/89/47/67/482894767.db2.gz DJMUQQXCDIIXKC-ZIAGYGMSSA-N 2 0 265.401 1.215 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089453797 483078800 /nfs/dbraw/zinc/07/88/00/483078800.db2.gz DUFQYGNRZOVUKN-OCCSQVGLSA-N 2 0 267.417 1.350 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089458320 483079339 /nfs/dbraw/zinc/07/93/39/483079339.db2.gz LTMSMHTWMJDNLY-ZFWWWQNUSA-N 2 0 281.444 1.694 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000089461587 483088559 /nfs/dbraw/zinc/08/85/59/483088559.db2.gz HPVPTKYATTZMNI-ZFWWWQNUSA-N 2 0 279.428 1.448 10 0 CDAERP COC[C@H](C)C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457252 483132783 /nfs/dbraw/zinc/13/27/83/483132783.db2.gz PEWKBKOWZHDVCO-GDBMZVCRSA-N 2 0 283.460 1.369 10 0 CDAERP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000669491091 483281470 /nfs/dbraw/zinc/28/14/70/483281470.db2.gz LVEKSAJYDFNXCR-ZNMIVQPWSA-N 2 0 292.427 1.007 10 0 CDAERP CCCC[N@H+](CCO)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667473251 483305538 /nfs/dbraw/zinc/30/55/38/483305538.db2.gz DFIYIUYMLMEUML-UHFFFAOYSA-N 2 0 274.368 1.862 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000136193371 483380080 /nfs/dbraw/zinc/38/00/80/483380080.db2.gz BJHZWAKRFCNDGK-CQSZACIVSA-N 2 0 255.406 1.367 10 0 CDAERP C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)C[C@H]1CCOC1 ZINC000667686720 483381619 /nfs/dbraw/zinc/38/16/19/483381619.db2.gz ONWGUVWNQJQCRE-CYBMUJFWSA-N 2 0 272.352 1.736 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000136356316 483396608 /nfs/dbraw/zinc/39/66/08/483396608.db2.gz OILPCDWHXPXGAE-ZDUSSCGKSA-N 2 0 253.390 1.103 10 0 CDAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667851566 483460134 /nfs/dbraw/zinc/46/01/34/483460134.db2.gz RVVULJHJTKLPIC-HYVNUMGLSA-N 2 0 295.471 1.417 10 0 CDAERP C[C@@H]1CCC[C@H]([NH+]2CCC(NCc3cn(C)nn3)CC2)C1 ZINC000679994523 483510518 /nfs/dbraw/zinc/51/05/18/483510518.db2.gz VXDZCZCUOVZPMA-CJNGLKHVSA-N 2 0 291.443 1.948 10 0 CDAERP CC[C@@H]1C[C@@H]([NH2+]CC(=O)NCC[NH+]2CCCCCC2)CO1 ZINC000668189934 483603838 /nfs/dbraw/zinc/60/38/38/483603838.db2.gz URGRSQYJUKVECY-HUUCEWRRSA-N 2 0 297.443 1.136 10 0 CDAERP C([NH2+]C1CC1)[C@H]1CC[C@@H](C[N@@H+]2CCCSCC2)O1 ZINC000052371157 518399225 /nfs/dbraw/zinc/39/92/25/518399225.db2.gz NASRCJMIHAVQMT-KGLIPLIRSA-N 2 0 270.442 1.725 10 0 CDAERP CC[C@@H](C(=O)N(C)CCC[NH2+]Cc1ccccn1)[NH+](C)C ZINC001483492994 1160930289 /nfs/dbraw/zinc/93/02/89/1160930289.db2.gz PNXNOWKMWVOEQQ-HNNXBMFYSA-N 2 0 292.427 1.360 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000049225440 519814105 /nfs/dbraw/zinc/81/41/05/519814105.db2.gz PDCQOFFWFZHGFN-UPJWGTAASA-N 2 0 255.406 1.077 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@H](C[N@@H+]2CCOC[C@@H]2CC)O1 ZINC000052481615 519927156 /nfs/dbraw/zinc/92/71/56/519927156.db2.gz WIMMSPJCUUBZQH-SOUVJXGZSA-N 2 0 270.417 1.644 10 0 CDAERP CC[NH2+]Cc1nc(CN2CCC[C@H]2C[NH+](C)C)cs1 ZINC000061654726 520020389 /nfs/dbraw/zinc/02/03/89/520020389.db2.gz MIENIBKBCFNHAY-ZDUSSCGKSA-N 2 0 282.457 1.779 10 0 CDAERP CC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001733100010 1161499844 /nfs/dbraw/zinc/49/98/44/1161499844.db2.gz WSYZMGOPPSYOLZ-ZDUSSCGKSA-N 2 0 255.406 1.317 10 0 CDAERP C[C@H](c1nc(C2CC2)no1)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923498748 1161545336 /nfs/dbraw/zinc/54/53/36/1161545336.db2.gz KZKYZUHNXBNHGX-CKYFFXLPSA-N 2 0 264.373 1.925 10 0 CDAERP CC(C)C[NH2+]CCN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001714758152 1179381857 /nfs/dbraw/zinc/38/18/57/1179381857.db2.gz XZJWNMPPJGMICM-UHFFFAOYSA-N 2 0 271.449 1.668 10 0 CDAERP CC(C)[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001717478732 1180697954 /nfs/dbraw/zinc/69/79/54/1180697954.db2.gz YXULCZRUOWLPET-QWHCGFSZSA-N 2 0 255.406 1.316 10 0 CDAERP CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001733053320 1183266233 /nfs/dbraw/zinc/26/62/33/1183266233.db2.gz JEUPKGUTKPHRRA-UONOGXRCSA-N 2 0 269.433 1.706 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CC ZINC001734039952 1183630030 /nfs/dbraw/zinc/63/00/30/1183630030.db2.gz UWZOLQPMTZYVST-CHWSQXEVSA-N 2 0 255.406 1.317 10 0 CDAERP CC(C)C[C@H](CN(C)C)[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000054628821 519335573 /nfs/dbraw/zinc/33/55/73/519335573.db2.gz UXQPAVYHRRMUOL-JALIKCBVSA-N 2 0 253.434 1.917 10 0 CDAERP CC(C)[NH+](CCNC(=O)[C@H]1CC[C@@H]([NH3+])C[C@@H]1C)C(C)C ZINC000055125067 519647623 /nfs/dbraw/zinc/64/76/23/519647623.db2.gz QLBYNKLHCBEYMY-ZNMIVQPWSA-N 2 0 283.460 1.985 10 0 CDAERP CC(C)[NH+](CCNC(=O)[C@H]1CC[C@H]([NH3+])[C@@H](C)C1)C(C)C ZINC000055125000 519647811 /nfs/dbraw/zinc/64/78/11/519647811.db2.gz WXOKTQKEAFUBFK-KKUMJFAQSA-N 2 0 283.460 1.985 10 0 CDAERP CC(C)[NH+]1CCN(C(=O)[C@H]2CC[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000055129268 519680639 /nfs/dbraw/zinc/68/06/39/519680639.db2.gz QCLXTROPYWUSKC-IHRRRGAJSA-N 2 0 267.417 1.303 10 0 CDAERP CCC[NH+]1CCC(C[NH3+])(N(C)C[C@@H]2CCCO2)CC1 ZINC000048947261 519842145 /nfs/dbraw/zinc/84/21/45/519842145.db2.gz DNLVKDQFEPRSKN-AWEZNQCLSA-N 2 0 269.433 1.301 10 0 CDAERP CCC[NH+]1CCN(C[C@](C)([NH3+])c2ccccc2)CC1 ZINC000052883243 519858550 /nfs/dbraw/zinc/85/85/50/519858550.db2.gz OVZWVOGSFDAZDJ-INIZCTEOSA-N 2 0 261.413 1.888 10 0 CDAERP CCC[NH+]1CCN(C[C@@H]2CC[C@@H](C[NH2+]C(C)C)O2)CC1 ZINC000052422034 519858826 /nfs/dbraw/zinc/85/88/26/519858826.db2.gz REAJWUVKMDRRCR-HOTGVXAUSA-N 2 0 283.460 1.560 10 0 CDAERP CC[NH2+]CC1(CN2CC[NH+](CC3CC3)CC2)CCOCC1 ZINC000052198153 519913919 /nfs/dbraw/zinc/91/39/19/519913919.db2.gz XFGHBHMJSJKJFZ-UHFFFAOYSA-N 2 0 295.471 1.420 10 0 CDAERP CC[NH2+]CC[C@@H](C)N1CC[NH+](C2CCCC2)CC1 ZINC000052573554 519928403 /nfs/dbraw/zinc/92/84/03/519928403.db2.gz WBVFECHJMYJVMZ-CQSZACIVSA-N 2 0 253.434 1.935 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](CCOC)C2CC2)O1 ZINC000052542512 519951850 /nfs/dbraw/zinc/95/18/50/519951850.db2.gz FYDJOODULWVYSV-KBPBESRZSA-N 2 0 256.390 1.254 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)C[C@@H]2CCCO2)O1 ZINC000052541055 519954387 /nfs/dbraw/zinc/95/43/87/519954387.db2.gz CPCMVOSDFQRDMZ-MELADBBJSA-N 2 0 256.390 1.254 10 0 CDAERP CC[NH2+]Cc1cc(C[N@@H+]2CCCSCC2)on1 ZINC000052371064 519988813 /nfs/dbraw/zinc/98/88/13/519988813.db2.gz SXMHQPCYKILGOU-UHFFFAOYSA-N 2 0 255.387 1.723 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000061273640 520064181 /nfs/dbraw/zinc/06/41/81/520064181.db2.gz IITWCJGSJUYYKJ-NSHDSACASA-N 2 0 269.433 1.800 10 0 CDAERP CC[NH2+][C@@](C)(CCC[N@H+](CC)CC1CC1)C(N)=O ZINC000069239517 520131037 /nfs/dbraw/zinc/13/10/37/520131037.db2.gz OIXLUSYPEVXDCW-AWEZNQCLSA-N 2 0 255.406 1.352 10 0 CDAERP CC[NH2+][C@H](C)C1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000068875165 520162195 /nfs/dbraw/zinc/16/21/95/520162195.db2.gz LJIGOIGGZXIZIT-MWLCHTKSSA-N 2 0 268.323 1.620 10 0 CDAERP CCCO[C@H]1CCC[N@H+](Cc2ccnc(C[NH3+])c2)C1 ZINC000068750092 520286481 /nfs/dbraw/zinc/28/64/81/520286481.db2.gz JHZGMIOKEANLGL-HNNXBMFYSA-N 2 0 263.385 1.931 10 0 CDAERP CC[NH+](CC)CCOC[C@H]1CC[C@@H](C[NH2+]C2CC2)O1 ZINC000052672029 520693200 /nfs/dbraw/zinc/69/32/00/520693200.db2.gz RHTHLELKPDEZFX-LSDHHAIUSA-N 2 0 270.417 1.644 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)c1c[nH+]c(NN)c(Cl)c1 ZINC000051117115 520720887 /nfs/dbraw/zinc/72/08/87/520720887.db2.gz RKIFRXYWOOBVQG-SECBINFHSA-N 2 0 299.806 1.481 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(c2cc(C(N)=[NH2+])ccn2)C1 ZINC000062980536 520848555 /nfs/dbraw/zinc/84/85/55/520848555.db2.gz YDDILWSRZPAQGL-GFCCVEGCSA-N 2 0 261.373 1.286 10 0 CDAERP CC1CC[NH+](CCNC(=O)[C@@H]2C[C@H]([NH3+])CC[C@@H]2C)CC1 ZINC000055136666 521014877 /nfs/dbraw/zinc/01/48/77/521014877.db2.gz PMXCHRABTJOCJJ-RRFJBIMHSA-N 2 0 281.444 1.598 10 0 CDAERP CCOCCCC[NH2+]CCN1CC[C@H]([NH+]2CCCC2)C1 ZINC000062974537 521703574 /nfs/dbraw/zinc/70/35/74/521703574.db2.gz UVPBRPOAMCTOSJ-INIZCTEOSA-N 2 0 283.460 1.563 10 0 CDAERP C[NH+](C)CCN1CC[NH+](C[C@@H]2CCCCCC2=O)CC1 ZINC000061653430 521763377 /nfs/dbraw/zinc/76/33/77/521763377.db2.gz WFYIHUAKPWIKFL-HNNXBMFYSA-N 2 0 281.444 1.315 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)CCC1CC[NH2+]CC1 ZINC000061645139 521828137 /nfs/dbraw/zinc/82/81/37/521828137.db2.gz NKZLVZPPTASHLJ-AWEZNQCLSA-N 2 0 267.417 1.319 10 0 CDAERP C[NH2+]C(C)(C)C(=O)NCc1ccccc1C[NH+](C)C ZINC000061318653 521936795 /nfs/dbraw/zinc/93/67/95/521936795.db2.gz UMSABSUIQCILCM-UHFFFAOYSA-N 2 0 263.385 1.362 10 0 CDAERP C[NH2+]CC1(CN2CC[NH+](C(C)C)CC2)CCOCC1 ZINC000052181858 521968342 /nfs/dbraw/zinc/96/83/42/521968342.db2.gz ATQCTSPMZOHMBH-UHFFFAOYSA-N 2 0 269.433 1.029 10 0 CDAERP C[NH2+]Cc1cc(C[N@H+](CCOC)[C@H](C)COC)c(C)o1 ZINC000052572444 522106202 /nfs/dbraw/zinc/10/62/02/522106202.db2.gz IQPOOCRCVJLXOI-GFCCVEGCSA-N 2 0 284.400 1.791 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(CC[NH2+][C@H](C)COC)CC1 ZINC000055075564 522122201 /nfs/dbraw/zinc/12/22/01/522122201.db2.gz ZPLVJWDCHXNHHN-ZIAGYGMSSA-N 2 0 257.422 1.027 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C[C@H](O)c2ccc(C[NH3+])cc2)CC1 ZINC000055064273 522124638 /nfs/dbraw/zinc/12/46/38/522124638.db2.gz MPNOWBSCKLPWOO-PBHICJAKSA-N 2 0 291.439 1.595 10 0 CDAERP C[NH2+]Cc1cn(CC[N@H+](Cc2cccs2)C2CC2)nn1 ZINC000052370689 522141596 /nfs/dbraw/zinc/14/15/96/522141596.db2.gz JHPNCNWELSNWQP-UHFFFAOYSA-N 2 0 291.424 1.724 10 0 CDAERP C[NH2+]Cc1nc(C(C)C)ncc1N1CCC[C@@H]1C[NH+](C)C ZINC000061654274 522151412 /nfs/dbraw/zinc/15/14/12/522151412.db2.gz ISVDLNVLIMNFPM-CYBMUJFWSA-N 2 0 291.443 1.850 10 0 CDAERP C[NH2+]Cc1oc(CN2CC[NH+](C(C)C)CC2)cc1C ZINC000052480175 522160589 /nfs/dbraw/zinc/16/05/89/522160589.db2.gz HDHJYJWWPTZLFQ-UHFFFAOYSA-N 2 0 265.401 1.833 10 0 CDAERP COC[C@@H](C)[N@H+](C)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052182479 522217172 /nfs/dbraw/zinc/21/71/72/522217172.db2.gz ILKVPILOCWOHTQ-CQSZACIVSA-N 2 0 272.433 1.748 10 0 CDAERP C[NH2+][C@@H]1CCCCC[C@H]1N1CCN(CC[NH+](C)C)CC1 ZINC000061643838 522378023 /nfs/dbraw/zinc/37/80/23/522378023.db2.gz PMQDEZULVFWOIV-HZPDHXFCSA-N 2 0 282.476 1.086 10 0 CDAERP C[NH2+][C@@H]1CCOC[C@H]1N1CCC(C[NH+]2CCCC2)CC1 ZINC000062051822 522396040 /nfs/dbraw/zinc/39/60/40/522396040.db2.gz BOYQKAIYIGREPA-HZPDHXFCSA-N 2 0 281.444 1.171 10 0 CDAERP CNc1cc(C[NH+]2CCC(C[NH+](C)C)CC2)ccn1 ZINC000052725816 522563947 /nfs/dbraw/zinc/56/39/47/522563947.db2.gz JYKJIWIIARZVBV-UHFFFAOYSA-N 2 0 262.401 1.897 10 0 CDAERP CC[C@@H]1CC[C@@H]([NH3+])[C@H](N2CCC[C@@H]2C[NH+](C)C)C1 ZINC000061643482 523354513 /nfs/dbraw/zinc/35/45/13/523354513.db2.gz IJZTYPCDKPBWBJ-KBUPBQIOSA-N 2 0 253.434 1.918 10 0 CDAERP COCC[N@H+](Cc1cc(C)c(C[NH3+])o1)[C@H](C)COC ZINC000052572373 523739350 /nfs/dbraw/zinc/73/93/50/523739350.db2.gz IQIXWCMNRZUYLC-GFCCVEGCSA-N 2 0 270.373 1.530 10 0 CDAERP C[N@H+]1CC=C(CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000365652925 523749265 /nfs/dbraw/zinc/74/92/65/523749265.db2.gz YOFUJSNPCQMLFA-INIZCTEOSA-N 2 0 297.418 1.577 10 0 CDAERP COCC[N@H+](Cc1ccnc(C[NH3+])c1)[C@@H](C)C1CC1 ZINC000068750251 523768822 /nfs/dbraw/zinc/76/88/22/523768822.db2.gz SAROFNHHPVFAOC-LBPRGKRZSA-N 2 0 263.385 1.787 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CC[NH2+]C1CCC(C(N)=O)CC1 ZINC000052205741 523797740 /nfs/dbraw/zinc/79/77/40/523797740.db2.gz URCLZEHPTUCVMP-RUXDESIVSA-N 2 0 267.417 1.495 10 0 CDAERP COc1ccc(C)cc1C[N@@H+]1CCCN(CC[NH3+])CC1 ZINC000050702711 523810584 /nfs/dbraw/zinc/81/05/84/523810584.db2.gz MMMFUNCGMYRCPQ-UHFFFAOYSA-N 2 0 277.412 1.470 10 0 CDAERP C[NH+]1CCN([C@H](C[NH3+])c2ccc3ncccc3c2)CC1 ZINC000069502180 523919258 /nfs/dbraw/zinc/91/92/58/523919258.db2.gz CNQNCZJVXPJYTC-MRXNPFEDSA-N 2 0 270.380 1.482 10 0 CDAERP C[NH+](C)CC1CCN(C(=O)CC[C@@H]2CCCC[NH2+]2)CC1 ZINC000050947936 524048615 /nfs/dbraw/zinc/04/86/15/524048615.db2.gz HOZBBLDHYVIIIL-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@@H]1CCCC[C@]1(C[NH3+])N1CCC[C@@H]1C[NH+](C)C ZINC000061643038 524180370 /nfs/dbraw/zinc/18/03/70/524180370.db2.gz JYFDUCLXFHDOTG-RBSFLKMASA-N 2 0 253.434 1.920 10 0 CDAERP C[C@@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)NCC1CC[NH+](C)CC1 ZINC000055140205 524390971 /nfs/dbraw/zinc/39/09/71/524390971.db2.gz QHYMHEWZZNJMEP-KWCYVHTRSA-N 2 0 267.417 1.208 10 0 CDAERP C[C@@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)NCC[NH+]1CCCCC1 ZINC000055138382 524392417 /nfs/dbraw/zinc/39/24/17/524392417.db2.gz BGFDWEKFADJFMA-HZSPNIEDSA-N 2 0 267.417 1.352 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCC[C@H](CC[NH3+])C1)[NH+](C)C ZINC000055161797 524450579 /nfs/dbraw/zinc/45/05/79/524450579.db2.gz QCJZMEVYRDUFMB-UPJWGTAASA-N 2 0 255.406 1.208 10 0 CDAERP C[C@H]1C[C@@H]([NH3+])CC[C@@H]1C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000055131603 524788646 /nfs/dbraw/zinc/78/86/46/524788646.db2.gz AGIWDHVGEQFZDO-FQUUOJAGSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@H]1C[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2C)CC[C@@H]1[NH3+] ZINC000055138629 524868753 /nfs/dbraw/zinc/86/87/53/524868753.db2.gz TZJNLVAYLAMYDK-CRWXNKLISA-N 2 0 267.417 1.350 10 0 CDAERP C[C@]1(C(=O)N2CCC([NH+]3CCCC3)CC2)CC[NH2+]C1 ZINC000062897258 525189406 /nfs/dbraw/zinc/18/94/06/525189406.db2.gz WLASTTDOOPLGQS-HNNXBMFYSA-N 2 0 265.401 1.073 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)C[C@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC000246202330 525244070 /nfs/dbraw/zinc/24/40/70/525244070.db2.gz FDTJQVVYLAXUDD-UPJWGTAASA-N 2 0 253.390 1.070 10 0 CDAERP C[C@@H]([NH2+]CCCC[NH+](C)C)C(=O)NC1CCCCC1 ZINC000045698327 525434676 /nfs/dbraw/zinc/43/46/76/525434676.db2.gz XBZTVMHMQCQACX-CYBMUJFWSA-N 2 0 269.433 1.755 10 0 CDAERP C[C@@H](c1cccs1)[N@H+](C)CC1(O)CC[NH2+]CC1 ZINC000051016289 526142249 /nfs/dbraw/zinc/14/22/49/526142249.db2.gz BAOZCHROBWWZDR-NSHDSACASA-N 2 0 254.399 1.855 10 0 CDAERP C[C@H](CC(C)(C)c1ccccc1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000263130879 526257146 /nfs/dbraw/zinc/25/71/46/526257146.db2.gz BPXLTYLKBLQKNR-IJEWVQPXSA-N 2 0 276.424 1.913 10 0 CDAERP Cc1nocc1C[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000339356959 526694974 /nfs/dbraw/zinc/69/49/74/526694974.db2.gz NONVWZLJMQSXSL-LBPRGKRZSA-N 2 0 266.389 1.099 10 0 CDAERP [NH3+]C[C@H]1CC[C@H](CN2CCC([NH+]3CCCCC3)CC2)O1 ZINC000052484218 527240236 /nfs/dbraw/zinc/24/02/36/527240236.db2.gz FPFQHUKQCKMDSR-HZPDHXFCSA-N 2 0 281.444 1.443 10 0 CDAERP [NH3+]Cc1cc(CN2CC[C@H]([NH+]3CCCC3)C2)ccn1 ZINC000068750584 527247637 /nfs/dbraw/zinc/24/76/37/527247637.db2.gz GDDRODPGAJSTFK-HNNXBMFYSA-N 2 0 260.385 1.210 10 0 CDAERP [NH3+][C@H]1CCC[C@H](CC(=O)NCCC[NH+]2CCCC2)C1 ZINC000062073406 527406289 /nfs/dbraw/zinc/40/62/89/527406289.db2.gz XNWIWLSNOLBYDC-KBPBESRZSA-N 2 0 267.417 1.496 10 0 CDAERP OC1(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)CC[NH2+]CC1 ZINC000051016239 527506684 /nfs/dbraw/zinc/50/66/84/527506684.db2.gz YHXKMDYNPWJTSA-JTQLQIEISA-N 2 0 266.307 1.375 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(C(=O)N[C@@H]2CCC[N@H+](CC)C2)C1 ZINC000174234227 528285525 /nfs/dbraw/zinc/28/55/25/528285525.db2.gz QMVYINRMFFVBRV-CABCVRRESA-N 2 0 296.459 1.596 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000426788190 535451007 /nfs/dbraw/zinc/45/10/07/535451007.db2.gz LBYINCVHEHRNQD-MRXNPFEDSA-N 2 0 293.455 1.851 10 0 CDAERP CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420304174 535470000 /nfs/dbraw/zinc/47/00/00/535470000.db2.gz LDWASQHZTYZSHW-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CN1CCN(CC[NH2+]C(C)(C)C)CC1 ZINC000414694730 536355599 /nfs/dbraw/zinc/35/55/99/536355599.db2.gz NOSLZVNWVWJVKJ-MRXNPFEDSA-N 2 0 296.503 1.476 10 0 CDAERP C[NH2+][C@@H]1CCCN(C(=O)NC[C@H]([NH3+])c2ccccc2)C1 ZINC000418404549 536358244 /nfs/dbraw/zinc/35/82/44/536358244.db2.gz ABYQGWGJYXKYPF-KGLIPLIRSA-N 2 0 276.384 1.080 10 0 CDAERP C[NH2+]CCc1ccccc1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000422534173 536447307 /nfs/dbraw/zinc/44/73/07/536447307.db2.gz ACWHAROZLHHUGI-SWLSCSKDSA-N 2 0 275.396 1.176 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](c1ccsc1)N(C)C ZINC000422812086 536596182 /nfs/dbraw/zinc/59/61/82/536596182.db2.gz XERJWBGIAJXLNO-KGLIPLIRSA-N 2 0 285.457 1.694 10 0 CDAERP CC(C)[NH2+]CCCCNc1ccnn1C1C[NH2+]C1 ZINC000725258167 538452807 /nfs/dbraw/zinc/45/28/07/538452807.db2.gz JGGIRRVZFWKTQT-UHFFFAOYSA-N 2 0 251.378 1.218 10 0 CDAERP CC1([NH+]2CCOCC2)CCC([N@@H+]2CC[C@@H](CO)C2)CC1 ZINC000725262701 538454986 /nfs/dbraw/zinc/45/49/86/538454986.db2.gz MJFUWICLJYGHKD-QQFBHYJXSA-N 2 0 282.428 1.334 10 0 CDAERP CC[C@@H]1C[N@@H+](C[C@@H]2CC[C@H](C[NH3+])O2)C[C@H](CC)O1 ZINC000398673530 570300687 /nfs/dbraw/zinc/30/06/87/570300687.db2.gz IRTWQXDNEJDHPG-RQJABVFESA-N 2 0 256.390 1.382 10 0 CDAERP CC(C)[C@@H](C(=O)NC1CC([NH+](C)C)C1)[NH+]1CCCCC1 ZINC000773485548 575815064 /nfs/dbraw/zinc/81/50/64/575815064.db2.gz CJKFMRHHPYPFNE-NRXISQOPSA-N 2 0 281.444 1.706 10 0 CDAERP C[C@H]1C[NH+](CCCC[NH2+]Cc2cn[nH]c2)C[C@H](C)O1 ZINC000749915771 576967978 /nfs/dbraw/zinc/96/79/78/576967978.db2.gz PTLHLUUNZKVDIP-STQMWFEESA-N 2 0 266.389 1.389 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)C[C@@H]1CC[NH+]1CC=C(C)C ZINC001688893944 1175055576 /nfs/dbraw/zinc/05/55/76/1175055576.db2.gz NVJDVTUYXDPJEX-HNNXBMFYSA-N 2 0 281.444 1.827 10 0 CDAERP CCC[NH+]1CCC([NH2+]CCC[C@H]2CCOC2=O)CC1 ZINC000872113563 620690855 /nfs/dbraw/zinc/69/08/55/620690855.db2.gz QHZDYIHWJHQJSR-ZDUSSCGKSA-N 2 0 268.401 1.794 10 0 CDAERP CC[C@H]1CCN(C(=[NH2+])NC[C@@H]2CC[N@H+](CC)C2)C1 ZINC000864453675 620922827 /nfs/dbraw/zinc/92/28/27/620922827.db2.gz YLFSSKHATCHTGI-STQMWFEESA-N 2 0 252.406 1.584 10 0 CDAERP CC(C)OC[C@H](O)C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000872204333 620698122 /nfs/dbraw/zinc/69/81/22/620698122.db2.gz NYQLVNGJBBMQRE-ZIAGYGMSSA-N 2 0 274.449 1.728 10 0 CDAERP Cn1cc(N2CCC[C@H]([NH2+][C@@H]3C[C@H]([NH3+])C34CCC4)C2)cn1 ZINC000925517180 617426405 /nfs/dbraw/zinc/42/64/05/617426405.db2.gz NJSLDHPADCHDPS-AEGPPILISA-N 2 0 289.427 1.248 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925550322 617497434 /nfs/dbraw/zinc/49/74/34/617497434.db2.gz QXTRBBXDCGZPCZ-RBSFLKMASA-N 2 0 282.476 1.118 10 0 CDAERP C[N@@H+]1CCC[C@H]1CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925565608 617514427 /nfs/dbraw/zinc/51/44/27/617514427.db2.gz VCZQBINDTKISHN-CRWXNKLISA-N 2 0 251.418 1.447 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC000925574450 617522906 /nfs/dbraw/zinc/52/29/06/617522906.db2.gz BEDQNBOTXFTBOL-IJLUTSLNSA-N 2 0 265.401 1.245 10 0 CDAERP CC(C)COC[C@@H](O)C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925614336 617559147 /nfs/dbraw/zinc/55/91/47/617559147.db2.gz WMBJZGHTQVFOGE-XGUBFFRZSA-N 2 0 284.444 1.386 10 0 CDAERP COC[C@@H](C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)OC ZINC000925632034 617578873 /nfs/dbraw/zinc/57/88/73/617578873.db2.gz NZWKFFILJHPUFM-FVCCEPFGSA-N 2 0 256.390 1.014 10 0 CDAERP COCC1(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000925706868 617793629 /nfs/dbraw/zinc/79/36/29/617793629.db2.gz ONTYXIFEFIZBBT-MEBFFEOJSA-N 2 0 250.386 1.389 10 0 CDAERP [NH3+]CCC[C@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1ccccc1 ZINC000925830949 617850358 /nfs/dbraw/zinc/85/03/58/617850358.db2.gz HGHAEYNYIMQCBU-QZWWFDLISA-N 2 0 290.407 1.860 10 0 CDAERP [NH3+][C@@H]1C[C@H](NC2CC([NH+]3CCCCC3)C2)C12CCC2 ZINC000925663384 617609766 /nfs/dbraw/zinc/60/97/66/617609766.db2.gz RNULKRHUFHHLAR-CVSAEHQPSA-N 2 0 263.429 1.863 10 0 CDAERP CC1(C)C[C@@H]([NH2+][C@@H]2COc3ccccc3[C@H]2O)C[C@@H]([NH3+])C1 ZINC000925669019 617625601 /nfs/dbraw/zinc/62/56/01/617625601.db2.gz NQCXEYZJAQJEEI-FAXLKDOZSA-N 2 0 290.407 1.977 10 0 CDAERP CCN(C)C(=O)[C@@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)C(C)C ZINC000925680972 617654123 /nfs/dbraw/zinc/65/41/23/617654123.db2.gz LUJNXFARCDUALN-UPJWGTAASA-N 2 0 267.417 1.349 10 0 CDAERP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000925776562 617671817 /nfs/dbraw/zinc/67/18/17/617671817.db2.gz LXNSNJKACDUUHS-LLVKDONJSA-N 2 0 290.354 1.507 10 0 CDAERP C[C@@H]1C[C@H](NC[C@H]2C[NH2+]CCC2(F)F)CC[N@@H+]1C ZINC000925786118 617709153 /nfs/dbraw/zinc/70/91/53/617709153.db2.gz VVFZDHQFBDJVAS-IJLUTSLNSA-N 2 0 261.360 1.304 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+]CC1CCC(S(C)(=O)=O)CC1 ZINC000925799646 617731263 /nfs/dbraw/zinc/73/12/63/617731263.db2.gz ADSXJLPLWQPFCX-ZSVAQUKISA-N 2 0 276.446 1.305 10 0 CDAERP CCC([NH3+])(CC)CN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925699766 617740761 /nfs/dbraw/zinc/74/07/61/617740761.db2.gz QMPVNZKWCJADLW-FRRDWIJNSA-N 2 0 253.434 1.870 10 0 CDAERP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1cccc(F)c1 ZINC000925807019 617747503 /nfs/dbraw/zinc/74/75/03/617747503.db2.gz CPSQWHXUDJHIJX-LBPRGKRZSA-N 2 0 265.376 1.899 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@@H]2CCCC23CCC3)CC1 ZINC000925816792 617772679 /nfs/dbraw/zinc/77/26/79/617772679.db2.gz IUSAXBZAJHREFV-CQSZACIVSA-N 2 0 251.418 1.722 10 0 CDAERP CC[C@@H]1C[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CCO1 ZINC000925707910 617796989 /nfs/dbraw/zinc/79/69/89/617796989.db2.gz QBIQFTCOZVNDSF-CJJZWMLWSA-N 2 0 250.386 1.530 10 0 CDAERP C[C@@H](C[NH+]1CCC(C)CC1)N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925708196 617797580 /nfs/dbraw/zinc/79/75/80/617797580.db2.gz QTWAELQMPUZXGD-RRFJBIMHSA-N 2 0 265.445 1.966 10 0 CDAERP CC1(C)[C@H](NC[C@@H]2C[C@H](F)C[NH2+]2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925708823 617799958 /nfs/dbraw/zinc/79/99/58/617799958.db2.gz NZKHZTPRWKAREV-IEECTRCBSA-N 2 0 255.381 1.053 10 0 CDAERP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cn1 ZINC000925881119 617964170 /nfs/dbraw/zinc/96/41/70/617964170.db2.gz XOKSGJYZYHRJKL-BNOWGMLFSA-N 2 0 263.385 1.738 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](CO)Cc2ccc(F)cc2)C12CCC2 ZINC000925506011 618178748 /nfs/dbraw/zinc/17/87/48/618178748.db2.gz VMCBCGRRSWNHLM-NUEKZKHPSA-N 2 0 292.398 1.836 10 0 CDAERP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCOC23CCOCC3)C1 ZINC000925009448 618764248 /nfs/dbraw/zinc/76/42/48/618764248.db2.gz HJYPCKUOGHIJMB-KGLIPLIRSA-N 2 0 268.401 1.256 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[N@@H+]1C ZINC000928437952 619080270 /nfs/dbraw/zinc/08/02/70/619080270.db2.gz LRAYXMIXSMHXJR-OCCSQVGLSA-N 2 0 276.384 1.117 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@]1(C)CCCC[C@H]1O ZINC000925214276 620560669 /nfs/dbraw/zinc/56/06/69/620560669.db2.gz YVYORZFNMSLXLI-IOUZAIRSSA-N 2 0 266.429 1.857 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](NC2[C@@H]3CC[C@H]2C[N@@H+](C)C3)C1 ZINC000925218986 620565794 /nfs/dbraw/zinc/56/57/94/620565794.db2.gz BBAJJAZMHMZDQF-JPIQDLEPSA-N 2 0 265.445 1.789 10 0 CDAERP C[C@H]([NH2+]CC[C@H]1CNC(=O)C1)c1cccc(C[NH+](C)C)c1 ZINC000926979926 621640954 /nfs/dbraw/zinc/64/09/54/621640954.db2.gz MWWNWAUIYDJQHS-UONOGXRCSA-N 2 0 289.423 1.925 10 0 CDAERP C[NH+](C)CCCCC(=O)N[C@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC000898841123 621896198 /nfs/dbraw/zinc/89/61/98/621896198.db2.gz LIHPYVJERMSDBX-UONOGXRCSA-N 2 0 281.444 1.707 10 0 CDAERP C[NH+](C)C1(C)CCC(NC(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000923902643 622411720 /nfs/dbraw/zinc/41/17/20/622411720.db2.gz OPRNNNYYKQGDFT-OWYJLGKBSA-N 2 0 282.432 1.253 10 0 CDAERP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C12CC[NH+](CC1)C2 ZINC000900354346 622903183 /nfs/dbraw/zinc/90/31/83/622903183.db2.gz YRZXBHFAPJWUGA-ZNMIVQPWSA-N 2 0 293.455 1.565 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)[NH+](C)C1CC1 ZINC000900544904 623229524 /nfs/dbraw/zinc/22/95/24/623229524.db2.gz WHYXYLFWCIYTNK-VHDGCEQUSA-N 2 0 279.428 1.602 10 0 CDAERP C[C@H]([NH2+]CC1(C2(O)CCOCC2)CC1)C1CC[NH+](C)CC1 ZINC000903349594 625975973 /nfs/dbraw/zinc/97/59/73/625975973.db2.gz IRJAZXZSFTVDAZ-AWEZNQCLSA-N 2 0 296.455 1.628 10 0 CDAERP C[C@@]1([C@H]2CCC[N@H+](CC3CC[NH2+]CC3)C2)COC(=O)N1 ZINC000903414516 625986324 /nfs/dbraw/zinc/98/63/24/625986324.db2.gz CWZKJUPWSVIIQZ-ZFWWWQNUSA-N 2 0 281.400 1.197 10 0 CDAERP CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903434328 625991336 /nfs/dbraw/zinc/99/13/36/625991336.db2.gz CFUTWWJTROAWTM-FPCVCCKLSA-N 2 0 295.471 1.859 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000903459317 625994998 /nfs/dbraw/zinc/99/49/98/625994998.db2.gz GRXSNJQPQPBEHH-DBIOUOCHSA-N 2 0 266.307 1.956 10 0 CDAERP COCC[NH2+]C1CC[NH+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CC1 ZINC000903461678 625996229 /nfs/dbraw/zinc/99/62/29/625996229.db2.gz XRUOOCAKFDHAIU-UBSAEIQESA-N 2 0 288.382 1.978 10 0 CDAERP Cc1nn(C)cc1[C@H]1CCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903444904 625998442 /nfs/dbraw/zinc/99/84/42/625998442.db2.gz DNWHWIUSDQRTBS-OSAQELSMSA-N 2 0 262.401 1.721 10 0 CDAERP COc1ccccc1[C@H]1C[NH2+]CCN1C[C@H]1CCC[NH2+]1 ZINC000903449851 626000207 /nfs/dbraw/zinc/00/02/07/626000207.db2.gz IUEXKWQZEGYAEI-UKRRQHHQSA-N 2 0 275.396 1.394 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000903452251 626000849 /nfs/dbraw/zinc/00/08/49/626000849.db2.gz KFDZJLUWSFIKAL-YUELXQCFSA-N 3 0 251.418 1.163 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000903453690 626001123 /nfs/dbraw/zinc/00/11/23/626001123.db2.gz IBKJVANUMCFELM-QPSCCSFWSA-N 3 0 251.418 1.306 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000903457471 626002621 /nfs/dbraw/zinc/00/26/21/626002621.db2.gz UFXVQACHXADBKP-AIANPOQGSA-N 2 0 277.456 1.791 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cccc(C)c1)C2 ZINC000903491895 626010836 /nfs/dbraw/zinc/01/08/36/626010836.db2.gz FPQWUSWKPLZZBC-UXLLHSPISA-N 2 0 288.391 1.707 10 0 CDAERP Cc1cc(NC(=O)[C@@H](C)[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)on1 ZINC000903496395 626012015 /nfs/dbraw/zinc/01/20/15/626012015.db2.gz MJXCNZLYHWVAMW-YUSALJHKSA-N 2 0 280.372 1.227 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H]([C@]2(C)COC(=O)N2)C1 ZINC000903561257 626019177 /nfs/dbraw/zinc/01/91/77/626019177.db2.gz HQLYEIJZZWVAOS-OSFYFWSMSA-N 2 0 281.400 1.052 10 0 CDAERP CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](C[C@@H]3CCC[NH2+]C3)C[C@@H]21 ZINC000903563408 626020235 /nfs/dbraw/zinc/02/02/35/626020235.db2.gz BMQMSEZNZGHBCG-YIYPIFLZSA-N 2 0 266.385 1.117 10 0 CDAERP Cn1nccc1[C@@H]1CCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000903566626 626021879 /nfs/dbraw/zinc/02/18/79/626021879.db2.gz WRXYWVAXBIQHBH-HIFRSBDPSA-N 2 0 262.401 1.947 10 0 CDAERP C[NH2+]CCN(C[C@@H](C[NH3+])c1ccc(OC)cc1)C(C)C ZINC000903573811 626029221 /nfs/dbraw/zinc/02/92/21/626029221.db2.gz LJNBVNLBJDCTAR-OAHLLOKOSA-N 2 0 279.428 1.667 10 0 CDAERP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@@H+]1CCCSC[C@@H]1C1CC1 ZINC000903827445 626105744 /nfs/dbraw/zinc/10/57/44/626105744.db2.gz SYGZATARKNRDQY-ARFHVFGLSA-N 2 0 296.480 1.973 10 0 CDAERP Cc1c(C[C@H](C[NH3+])CN2CCCC[C@H]2[C@H](C)[NH3+])cnn1C ZINC000903874323 626128159 /nfs/dbraw/zinc/12/81/59/626128159.db2.gz YAVFFDUOUPFXEC-BJJXKVORSA-N 2 0 293.459 1.048 10 0 CDAERP CC(C)CC[N@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903880026 626130442 /nfs/dbraw/zinc/13/04/42/626130442.db2.gz MXIMMCWZERJGNH-CYBMUJFWSA-N 2 0 265.405 1.681 10 0 CDAERP CCC1CC[NH+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903887031 626134222 /nfs/dbraw/zinc/13/42/22/626134222.db2.gz WUFGWDCZKMPSIK-OAHLLOKOSA-N 2 0 278.444 1.968 10 0 CDAERP C(C[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)COC[C@H]1CCCO1 ZINC000903922485 626147586 /nfs/dbraw/zinc/14/75/86/626147586.db2.gz XWUJATZSUVMOKE-WTXIUTQJSA-N 2 0 282.428 1.692 10 0 CDAERP [NH3+][C@@H](CC(F)F)CN1CCCC[C@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000903931772 626151384 /nfs/dbraw/zinc/15/13/84/626151384.db2.gz HVHSOWHWYUGDMJ-VOAKCMCISA-N 2 0 291.386 1.330 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@H](CF)C2)cnn1C ZINC000903940040 626161573 /nfs/dbraw/zinc/16/15/73/626161573.db2.gz UEBLEJFECOJTGO-CHWSQXEVSA-N 2 0 268.380 1.137 10 0 CDAERP CC(C)[NH+]1CCC(NC[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000903956354 626167425 /nfs/dbraw/zinc/16/74/25/626167425.db2.gz JXOMZRVYUFUTQV-GFCCVEGCSA-N 2 0 275.387 1.694 10 0 CDAERP C[C@@]1([C@@H]2CCC[N@@H+](C[C@@]3(C)CC[NH2+]C3)C2)COC(=O)N1 ZINC000903986756 626174510 /nfs/dbraw/zinc/17/45/10/626174510.db2.gz RFKGGWBHFOCLKO-SNPRPXQTSA-N 2 0 281.400 1.197 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=[NH2+])NC[C@@H]1CCCS1 ZINC000905040316 626379876 /nfs/dbraw/zinc/37/98/76/626379876.db2.gz AXZCCNPQIOZYQJ-OLZOCXBDSA-N 2 0 284.473 1.870 10 0 CDAERP [NH2+]=C(NC[C@H]1CC[N@@H+](C2CC2)C1)NC[C@@H]1CCCS1 ZINC000905041680 626380938 /nfs/dbraw/zinc/38/09/38/626380938.db2.gz JXKKFOJXUDPRLB-YPMHNXCESA-N 2 0 282.457 1.480 10 0 CDAERP C[NH+](C)C(C)(C)CNC(=[NH2+])NC[C@H]1CCCS1 ZINC000905041812 626381062 /nfs/dbraw/zinc/38/10/62/626381062.db2.gz LILUMRSFKVNWMZ-SNVBAGLBSA-N 2 0 258.435 1.336 10 0 CDAERP C[NH2+]CCCCc1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000905310804 626759335 /nfs/dbraw/zinc/75/93/35/626759335.db2.gz OBVYZLMBARUQBT-YOGCLGLASA-N 2 0 264.373 1.610 10 0 CDAERP CN(CCC[NH+]1CCCC1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000907960426 627927698 /nfs/dbraw/zinc/92/76/98/627927698.db2.gz UHVNVRDHAKPNNL-HOTGVXAUSA-N 2 0 293.455 1.948 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC2CC([NH+](C)C)C2)C1 ZINC000908011727 627972619 /nfs/dbraw/zinc/97/26/19/627972619.db2.gz PSVOOAUGBBTPFS-IYXRBSQSSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000908194365 628064266 /nfs/dbraw/zinc/06/42/66/628064266.db2.gz ACOINDHRARTSAU-YNEHKIRRSA-N 2 0 253.390 1.070 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CC2C[NH+](C)C2)C1 ZINC000912453440 630023292 /nfs/dbraw/zinc/02/32/92/630023292.db2.gz DBUCHHXZRSKCLO-AWEZNQCLSA-N 2 0 267.417 1.128 10 0 CDAERP CC[C@H](C(=O)N1CC[C@H]([NH+]2CCC2)C1)[NH+](CC)CC ZINC000912914890 630283102 /nfs/dbraw/zinc/28/31/02/630283102.db2.gz AAMMWOSAHTXURH-UONOGXRCSA-N 2 0 267.417 1.413 10 0 CDAERP C([C@H]1CC[N@H+](C[C@H]2CCC3(COC3)O2)C1)[NH+]1CCCC1 ZINC000929696669 630708545 /nfs/dbraw/zinc/70/85/45/630708545.db2.gz NZOZDGZHSLKPQA-HUUCEWRRSA-N 2 0 280.412 1.352 10 0 CDAERP CC[C@H](C(=O)NC12CC[NH+](CC1)C2)[NH+](CC)CC ZINC000913629553 630719071 /nfs/dbraw/zinc/71/90/71/630719071.db2.gz CZZOWWGSEMEPEC-GFCCVEGCSA-N 2 0 253.390 1.071 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)C2(O)CCCC2)C1 ZINC000929779008 630936107 /nfs/dbraw/zinc/93/61/07/630936107.db2.gz MHNVTMGSWMUCAO-LSDHHAIUSA-N 2 0 284.444 1.316 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000919654449 632649310 /nfs/dbraw/zinc/64/93/10/632649310.db2.gz KVNZPWMLCJFOCA-AWEZNQCLSA-N 2 0 296.459 1.643 10 0 CDAERP C[NH+](C)CCCCCCCNC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000920920694 632855376 /nfs/dbraw/zinc/85/53/76/632855376.db2.gz RHPKDHFYYRGDDN-HNNXBMFYSA-N 2 0 298.475 1.892 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001671347623 1158673498 /nfs/dbraw/zinc/67/34/98/1158673498.db2.gz YNNPOHKXUSJQQA-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]C(C)C ZINC001690844662 1158782838 /nfs/dbraw/zinc/78/28/38/1158782838.db2.gz KEUQYRRZPOPSKP-KGLIPLIRSA-N 2 0 269.433 1.754 10 0 CDAERP C(C[N@@H+]1CC[NH2+]CCC12CCOCC2)OC1CCOCC1 ZINC001772537544 1158808815 /nfs/dbraw/zinc/80/88/15/1158808815.db2.gz GUPULAGHFZMDKS-UHFFFAOYSA-N 2 0 298.427 1.027 10 0 CDAERP CC/C=C/CC[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001690356077 1175447869 /nfs/dbraw/zinc/44/78/69/1175447869.db2.gz VNNHEPPCQJKFEX-RYIQXIGLSA-N 2 0 293.455 1.921 10 0 CDAERP C[NH+](C)CCOCC[NH2+][C@@H](C1CCC1)[C@H]1CCCO1 ZINC000866349114 1164770503 /nfs/dbraw/zinc/77/05/03/1164770503.db2.gz XUHIEVDPAVBPJF-CABCVRRESA-N 2 0 270.417 1.502 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)[C@@H]2CC23CC[NH2+]CC3)C1 ZINC000870992049 1165250153 /nfs/dbraw/zinc/25/01/53/1165250153.db2.gz HVGDOBJAQGULHH-SUMWQHHRSA-N 2 0 293.455 1.600 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001565587147 1168155733 /nfs/dbraw/zinc/15/57/33/1168155733.db2.gz RUYIWKFKRJOKCJ-MGPQQGTHSA-N 2 0 269.433 1.563 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1CC12CC[NH+](CC)CC2)[NH+](C)C ZINC001566690111 1168388095 /nfs/dbraw/zinc/38/80/95/1168388095.db2.gz ZNQHNSGIJIAWCF-CHWSQXEVSA-N 2 0 267.417 1.317 10 0 CDAERP CC(C)CCC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001567101331 1168560461 /nfs/dbraw/zinc/56/04/61/1168560461.db2.gz AMDMLBYFURBNIB-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[NH2+]C[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001567154485 1168599780 /nfs/dbraw/zinc/59/97/80/1168599780.db2.gz FLMGLKSAXWQYNH-OAHLLOKOSA-N 2 0 281.444 1.711 10 0 CDAERP CN(CC[NH2+]CC1CCC1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001567496289 1168814548 /nfs/dbraw/zinc/81/45/48/1168814548.db2.gz GTZDIYZVWXWTJT-OAHLLOKOSA-N 2 0 279.428 1.176 10 0 CDAERP CC[C@H](C)C[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001568899144 1169538961 /nfs/dbraw/zinc/53/89/61/1169538961.db2.gz SYWLFQBXNCJJGZ-BUHQSOCUSA-N 2 0 267.417 1.389 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NC/C=C\C[NH2+]CC2CC2)CC[N@@H+]1C ZINC001568906733 1169543590 /nfs/dbraw/zinc/54/35/90/1169543590.db2.gz WSOLBSDMPJROSO-GLAGEYFUSA-N 2 0 279.428 1.389 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]CC)C1 ZINC001569851939 1170012904 /nfs/dbraw/zinc/01/29/04/1170012904.db2.gz BZFUEAXUUIWOBL-QWHCGFSZSA-N 2 0 255.406 1.032 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](CC[NH2+]CC3CCC3)C2)C1 ZINC001570019831 1170060074 /nfs/dbraw/zinc/06/00/74/1170060074.db2.gz WHXLABQCUMFPQD-JKSUJKDBSA-N 2 0 293.455 1.566 10 0 CDAERP CCCC[C@H](C[NH2+]CCF)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001570812896 1170286032 /nfs/dbraw/zinc/28/60/32/1170286032.db2.gz YFMONMXNGDZVSX-CHWSQXEVSA-N 2 0 273.396 1.315 10 0 CDAERP C[NH+]1CCC(CC(=O)N[C@@H]2CC[C@H](C[NH2+]CCF)C2)CC1 ZINC001571545239 1170471013 /nfs/dbraw/zinc/47/10/13/1170471013.db2.gz ZKNLNFBULJOAGP-LSDHHAIUSA-N 2 0 299.434 1.562 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NCC12CCC[NH+](CCC1)C2 ZINC001650574147 1171197221 /nfs/dbraw/zinc/19/72/21/1171197221.db2.gz FCJXZBNIDAGQFY-CQSZACIVSA-N 2 0 293.455 1.851 10 0 CDAERP C[N@@H+]1C[C@]23C[NH+](CC(C)(C)O)C[C@@]2(C1)CCCC3 ZINC001655922967 1171744122 /nfs/dbraw/zinc/74/41/22/1171744122.db2.gz YPWNCDZPHKFDOA-GASCZTMLSA-N 2 0 252.402 1.565 10 0 CDAERP CC1CC(C[NH2+]CCN(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001664313151 1172838348 /nfs/dbraw/zinc/83/83/48/1172838348.db2.gz DZCQGUMJSIIHNZ-UHFFFAOYSA-N 2 0 279.428 1.176 10 0 CDAERP CC[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CC1 ZINC001665872395 1173078573 /nfs/dbraw/zinc/07/85/73/1173078573.db2.gz QKQZYKCDSRYCHC-KBPBESRZSA-N 2 0 267.417 1.223 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)CC[NH2+]CC1CC1)[NH+](C)C ZINC001668277978 1173391199 /nfs/dbraw/zinc/39/11/99/1173391199.db2.gz AKSQYZCNAORMLT-WCQYABFASA-N 2 0 255.406 1.221 10 0 CDAERP CC(C)C[NH2+]C/C=C/CNC(=O)C[N@H+](C)C1CCC1 ZINC001668864799 1173474177 /nfs/dbraw/zinc/47/41/77/1173474177.db2.gz KAWBBJSCZROHAM-SNAWJCMRSA-N 2 0 267.417 1.389 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001669399712 1173546728 /nfs/dbraw/zinc/54/67/28/1173546728.db2.gz KXTWUDYSZHPVFO-UTUOFQBUSA-N 2 0 261.385 1.169 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H](C[NH2+]CCF)C2)CC[N@@H+]1C ZINC001690420376 1175466158 /nfs/dbraw/zinc/46/61/58/1175466158.db2.gz DYGXIBUOSHVPTQ-KKUMJFAQSA-N 2 0 299.434 1.514 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H](C[NH2+]C/C=C\Cl)C1 ZINC001690423652 1175467207 /nfs/dbraw/zinc/46/72/07/1175467207.db2.gz RHKCFXDNBLKJFJ-IRBQFCFKSA-N 2 0 287.835 1.519 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CCF)C1 ZINC001692086412 1175675662 /nfs/dbraw/zinc/67/56/62/1175675662.db2.gz WDTAELUZESAZTK-ILXRZTDVSA-N 2 0 299.434 1.514 10 0 CDAERP C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](C[NH2+]CCF)C1 ZINC001692101848 1175676627 /nfs/dbraw/zinc/67/66/27/1175676627.db2.gz QUGWNRQFALZJDY-KGLIPLIRSA-N 2 0 285.407 1.268 10 0 CDAERP COCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H]1C ZINC001692190656 1175696562 /nfs/dbraw/zinc/69/65/62/1175696562.db2.gz FKJOLRKNEHRSEN-QLFBSQMISA-N 2 0 297.443 1.086 10 0 CDAERP CCC[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCC1 ZINC001698626299 1175878550 /nfs/dbraw/zinc/87/85/50/1175878550.db2.gz IGUOWYBYSXAPBK-ZIAGYGMSSA-N 2 0 281.444 1.755 10 0 CDAERP CC/C=C/CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001698858824 1175966022 /nfs/dbraw/zinc/96/60/22/1175966022.db2.gz FMVIYRUDCAFGNE-KXLSMFKISA-N 2 0 281.444 1.731 10 0 CDAERP CC/C=C\CC[NH2+]C[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001699380324 1176339869 /nfs/dbraw/zinc/33/98/69/1176339869.db2.gz IUVLQDBKJIZODF-RWCKICOTSA-N 2 0 281.444 1.779 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H]1C[NH2+]CCCF ZINC001699749221 1176606192 /nfs/dbraw/zinc/60/61/92/1176606192.db2.gz GRWXHLIOGJXPSE-CABCVRRESA-N 2 0 299.434 1.801 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]C/C=C\Cl)C1 ZINC001700126265 1176758813 /nfs/dbraw/zinc/75/88/13/1176758813.db2.gz GAXUVUPEHZLTSU-WREBYIDWSA-N 2 0 299.846 1.661 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]C/C=C/Cl)C1 ZINC001700126263 1176758994 /nfs/dbraw/zinc/75/89/94/1176758994.db2.gz GAXUVUPEHZLTSU-HMJDLUCASA-N 2 0 299.846 1.661 10 0 CDAERP CC(C)[NH2+]CC1(O)CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001700307499 1176840739 /nfs/dbraw/zinc/84/07/39/1176840739.db2.gz LLKZDOMEPFYIFO-UHFFFAOYSA-N 2 0 299.459 1.070 10 0 CDAERP CCCC[NH2+]CC1CC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001700373689 1176881309 /nfs/dbraw/zinc/88/13/09/1176881309.db2.gz TVPNJHCTLHXKDF-AVVWSFFYSA-N 2 0 293.455 1.613 10 0 CDAERP CC[NH2+][C@@H](C)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001700429997 1176925314 /nfs/dbraw/zinc/92/53/14/1176925314.db2.gz JEBSDKQGFPZIEA-STQMWFEESA-N 2 0 255.406 1.365 10 0 CDAERP CCCCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001700529984 1176998324 /nfs/dbraw/zinc/99/83/24/1176998324.db2.gz CIAWKGVDQQYESN-ZFWWWQNUSA-N 2 0 281.444 1.707 10 0 CDAERP CCC[N@H+](CC)CCCNC(=O)Cn1ccnc1 ZINC001707470634 1178066474 /nfs/dbraw/zinc/06/64/74/1178066474.db2.gz UPZNFZIDEPQCGM-UHFFFAOYSA-N 2 0 252.362 1.121 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]([NH2+]CCCF)C2CC2)C1 ZINC001713123035 1178380792 /nfs/dbraw/zinc/38/07/92/1178380792.db2.gz MDWLUZIBPYAUDD-GXTWGEPZSA-N 2 0 285.407 1.172 10 0 CDAERP CC[NH2+][C@H]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001713176274 1178414233 /nfs/dbraw/zinc/41/42/33/1178414233.db2.gz FHTRLVPWQZWHON-HDJSIYSDSA-N 2 0 267.417 1.509 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)[NH2+]CCC(C)C)[NH+](C)C ZINC001713319234 1178494828 /nfs/dbraw/zinc/49/48/28/1178494828.db2.gz WRSYOGGNGMLSFO-CHWSQXEVSA-N 2 0 257.422 1.467 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CCC(C)C ZINC001713497708 1178608333 /nfs/dbraw/zinc/60/83/33/1178608333.db2.gz WMFKHGXTGRSDFG-AWEZNQCLSA-N 2 0 269.433 1.422 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)CC[NH2+]C/C=C/Cl ZINC001713650900 1178696740 /nfs/dbraw/zinc/69/67/40/1178696740.db2.gz MKHDHLRLNFCOEN-FNORWQNLSA-N 2 0 261.797 1.129 10 0 CDAERP C[NH+](C)CCCCC(=O)NC1C[NH+](CC2CCCC2)C1 ZINC001713852008 1178792631 /nfs/dbraw/zinc/79/26/31/1178792631.db2.gz GJJQNMVGIWVAHJ-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N[C@](C)(C[NH2+]C/C=C/Cl)C2CC2)C1 ZINC001714175832 1179003698 /nfs/dbraw/zinc/00/36/98/1179003698.db2.gz AIKLIQAFAPMFOG-NKDRJXSHSA-N 2 0 299.846 1.565 10 0 CDAERP COCC[NH2+][C@H](C)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001714469352 1179156823 /nfs/dbraw/zinc/15/68/23/1179156823.db2.gz LKQZKHFJGCDURI-CQSZACIVSA-N 2 0 299.459 1.382 10 0 CDAERP C[C@H](C[NH2+]CCC1CC1)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001714750994 1179376847 /nfs/dbraw/zinc/37/68/47/1179376847.db2.gz PGRSOBWSCUORBB-UONOGXRCSA-N 2 0 281.444 1.565 10 0 CDAERP CCC[NH+]1CC(CNC(=O)CCCC[NH+](C)C)C1 ZINC001714977663 1179487487 /nfs/dbraw/zinc/48/74/87/1179487487.db2.gz NTLPPOBNTDKEKA-UHFFFAOYSA-N 2 0 255.406 1.176 10 0 CDAERP CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001715094695 1179548720 /nfs/dbraw/zinc/54/87/20/1179548720.db2.gz QDBIUROGDXLGFV-UONOGXRCSA-N 2 0 269.433 1.563 10 0 CDAERP CC/C=C/CC[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001715536455 1179707257 /nfs/dbraw/zinc/70/72/57/1179707257.db2.gz HEEOHJDUCLADGD-LFAOLKIESA-N 2 0 281.444 1.685 10 0 CDAERP COCC[NH2+][C@H](CNC(=O)CC1CC[NH+](C)CC1)C(C)C ZINC001715660089 1179755619 /nfs/dbraw/zinc/75/56/19/1179755619.db2.gz LCOCNEUMVWZKFM-OAHLLOKOSA-N 2 0 299.459 1.095 10 0 CDAERP CCN(CC[NH2+]CC[C@@H](C)F)C(=O)C[NH+]1CCCC1 ZINC001715774134 1179800736 /nfs/dbraw/zinc/80/07/36/1179800736.db2.gz RXCWLPSPGRLABR-CYBMUJFWSA-N 2 0 273.396 1.268 10 0 CDAERP CC(C)COCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001716015199 1179987478 /nfs/dbraw/zinc/98/74/78/1179987478.db2.gz KLZMIUFPSDEOTG-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP C[C@H](C[NH2+]CC[C@H]1CCCCO1)NC(=O)C[NH+]1CCCC1 ZINC001716423042 1180198019 /nfs/dbraw/zinc/19/80/19/1180198019.db2.gz BMCWHLDPXLCYGS-HUUCEWRRSA-N 2 0 297.443 1.136 10 0 CDAERP C[C@@H](C[N@H+](C)CCC1CC1)NC(=O)[C@@H]1CCC[NH+]1C ZINC001716473473 1180235462 /nfs/dbraw/zinc/23/54/62/1180235462.db2.gz WXZFKNSVKAHAFS-JSGCOSHPSA-N 2 0 267.417 1.317 10 0 CDAERP CCC[N@@H+]1CC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001716653106 1180339479 /nfs/dbraw/zinc/33/94/79/1180339479.db2.gz AXIGDQYNNWGNKV-ZIAGYGMSSA-N 2 0 267.417 1.461 10 0 CDAERP CCCCC[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001716701381 1180378534 /nfs/dbraw/zinc/37/85/34/1180378534.db2.gz NMNLUQJTEZFSLF-UHFFFAOYSA-N 2 0 267.417 1.511 10 0 CDAERP CCC[NH2+]C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CCO1 ZINC001717173035 1180560628 /nfs/dbraw/zinc/56/06/28/1180560628.db2.gz ULQLPUWAHTUOMF-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)C1C[NH+](CC2=CCCCC2)C1 ZINC001717555554 1180738017 /nfs/dbraw/zinc/73/80/17/1180738017.db2.gz CONINUNMYKICSG-CQSZACIVSA-N 2 0 293.455 1.875 10 0 CDAERP CCC[NH2+]CCC[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001717695790 1180792809 /nfs/dbraw/zinc/79/28/09/1180792809.db2.gz MUFKSKGFSBZKFK-ZDUSSCGKSA-N 2 0 255.406 1.367 10 0 CDAERP CC(C)C[N@H+](C)CCOCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001717710356 1180800726 /nfs/dbraw/zinc/80/07/26/1180800726.db2.gz MBSBSGPKOCKPIO-HUUCEWRRSA-N 2 0 299.459 1.047 10 0 CDAERP CC[NH2+][C@H](CCNC(=O)Cc1cncn1C)C(C)C ZINC001717722426 1180808240 /nfs/dbraw/zinc/80/82/40/1180808240.db2.gz QDGJFJQLUVAMMV-CYBMUJFWSA-N 2 0 266.389 1.103 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C[NH2+]CC2CC2)C1 ZINC001717879141 1180909560 /nfs/dbraw/zinc/90/95/60/1180909560.db2.gz LKDUWXZQLCRNAF-UONOGXRCSA-N 2 0 267.417 1.223 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCOC)C1 ZINC001717992640 1180961511 /nfs/dbraw/zinc/96/15/11/1180961511.db2.gz IBPIBARDMWDTOS-NRXISQOPSA-N 2 0 297.443 1.086 10 0 CDAERP CC[C@@H](C(=O)N(C)CCC[NH2+]C/C=C\Cl)[NH+](C)C ZINC001723124148 1181519812 /nfs/dbraw/zinc/51/98/12/1181519812.db2.gz VGBMTVFGLSEPMS-VFFGBVLKSA-N 2 0 275.824 1.517 10 0 CDAERP C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]CCF ZINC001724588496 1181699101 /nfs/dbraw/zinc/69/91/01/1181699101.db2.gz UVOVXCDGGZWYIE-QWHCGFSZSA-N 2 0 285.407 1.124 10 0 CDAERP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C[NH2+]CCCF ZINC001724611450 1181703684 /nfs/dbraw/zinc/70/36/84/1181703684.db2.gz YQGCOWALFBVYLQ-KGLIPLIRSA-N 2 0 285.407 1.126 10 0 CDAERP CC(C)OCCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001725570750 1182053948 /nfs/dbraw/zinc/05/39/48/1182053948.db2.gz XXKSMBQIWMPWOH-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CCF)C2)CCC1 ZINC001725635606 1182079571 /nfs/dbraw/zinc/07/95/71/1182079571.db2.gz JFPYRFYSCJFDRZ-CHWSQXEVSA-N 2 0 285.407 1.315 10 0 CDAERP CCC[NH2+]C[C@@H](O)CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001725695865 1182099880 /nfs/dbraw/zinc/09/98/80/1182099880.db2.gz QANWMRUGEQPGBK-CQSZACIVSA-N 2 0 299.459 1.070 10 0 CDAERP C[N@H+](CCCF)CCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001731248000 1182273564 /nfs/dbraw/zinc/27/35/64/1182273564.db2.gz IADRILXKYNYHOP-HUUCEWRRSA-N 2 0 299.434 1.801 10 0 CDAERP C[N@H+](CC(=O)N[C@H]1C[C@H]([NH2+]CCCF)C1)C1CCC1 ZINC001731445179 1182391469 /nfs/dbraw/zinc/39/14/69/1182391469.db2.gz FBLKIFSQUROGRG-HAQNSBGRSA-N 2 0 271.380 1.067 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CCC(C)C)C1 ZINC001731489054 1182415839 /nfs/dbraw/zinc/41/58/39/1182415839.db2.gz DOQCQSBVZZKMCS-OKILXGFUSA-N 2 0 269.433 1.611 10 0 CDAERP CC/C=C/CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC001731562798 1182450319 /nfs/dbraw/zinc/45/03/19/1182450319.db2.gz DPQJRLPGQFJPIS-RMQMOJESSA-N 2 0 291.439 1.483 10 0 CDAERP CC(C)C[NH2+][C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001731600169 1182472138 /nfs/dbraw/zinc/47/21/38/1182472138.db2.gz TTWOWRVDMQLOFW-KGLIPLIRSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@H](CCNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]CCCO ZINC001731736337 1182541283 /nfs/dbraw/zinc/54/12/83/1182541283.db2.gz UUZXKHLJMZJTGS-HUUCEWRRSA-N 2 0 299.459 1.118 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[C@H]1CCC[NH+]1CC1CC1 ZINC001731744300 1182546111 /nfs/dbraw/zinc/54/61/11/1182546111.db2.gz GXQGWLXDZFCUIY-JKSUJKDBSA-N 2 0 293.455 1.851 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)CC[NH2+]CCF)[NH+]1CCCCC1 ZINC001731988609 1182716510 /nfs/dbraw/zinc/71/65/10/1182716510.db2.gz YHGAIADBVILYBN-AWEZNQCLSA-N 2 0 287.423 1.514 10 0 CDAERP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC=C(C)C ZINC001732205051 1182855697 /nfs/dbraw/zinc/85/56/97/1182855697.db2.gz GSNTWKKUWGCYQX-LSDHHAIUSA-N 2 0 281.444 1.921 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NC2(C[NH2+]CCCF)CCCC2)C1 ZINC001732237393 1182875942 /nfs/dbraw/zinc/87/59/42/1182875942.db2.gz JCXMBQQQEYONPZ-CYBMUJFWSA-N 2 0 285.407 1.316 10 0 CDAERP CCCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001732486232 1182986740 /nfs/dbraw/zinc/98/67/40/1182986740.db2.gz KDUWPMWCTFEPSK-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[NH2+]CCN(CC)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001732778225 1183122444 /nfs/dbraw/zinc/12/24/44/1183122444.db2.gz BGCCPROMUDLSOG-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP C[C@H](C[NH2+]CCF)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001732957369 1183205309 /nfs/dbraw/zinc/20/53/09/1183205309.db2.gz DHACBEOOXDITKU-TZMCWYRMSA-N 2 0 285.407 1.457 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+]CCC(C)(C)C ZINC001732976375 1183214737 /nfs/dbraw/zinc/21/47/37/1183214737.db2.gz LHGXOPLSVVKBEW-CYBMUJFWSA-N 2 0 271.449 1.859 10 0 CDAERP CCCC[NH+]1CCC(C)(NC(=O)CC[NH+](C)C)CC1 ZINC001733360112 1183409132 /nfs/dbraw/zinc/40/91/32/1183409132.db2.gz NBMNZBXHFQVNLL-UHFFFAOYSA-N 2 0 269.433 1.709 10 0 CDAERP CCCC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@@H]1C ZINC001733856448 1183551395 /nfs/dbraw/zinc/55/13/95/1183551395.db2.gz FBOQZDZYIGFXAI-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CC/C=C\CC[NH2+]CC1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001733957621 1183584749 /nfs/dbraw/zinc/58/47/49/1183584749.db2.gz DDNZNESHDMXZKR-DVGDUBSSSA-N 2 0 293.455 1.779 10 0 CDAERP COCCCC[NH2+][C@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001733990870 1183604812 /nfs/dbraw/zinc/60/48/12/1183604812.db2.gz POGIANDZLHXFSG-ZIAGYGMSSA-N 2 0 299.459 1.238 10 0 CDAERP CC(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001734171394 1183682092 /nfs/dbraw/zinc/68/20/92/1183682092.db2.gz HJILOQFJQVCCPB-PHZGNYQRSA-N 2 0 295.471 1.668 10 0 CDAERP OCCCOCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423104996 1186723048 /nfs/dbraw/zinc/72/30/48/1186723048.db2.gz HZRSFCVHOUIFDU-QLFBSQMISA-N 2 0 270.417 1.286 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2C[C@]3(C)C[NH+](C)C[C@]3(C)C2)CC[N@@H+]1C ZINC000864077371 1164506295 /nfs/dbraw/zinc/50/62/95/1164506295.db2.gz NRFDUONQPMBXSY-HDEZJCGLSA-N 2 0 293.455 1.517 10 0 CDAERP CC[C@@H]1CCN(C(=[NH2+])NCC(C)(C)C[NH+](C)C)C1 ZINC000864450900 1164543728 /nfs/dbraw/zinc/54/37/28/1164543728.db2.gz BEGUSIYYNKUKGQ-GFCCVEGCSA-N 2 0 254.422 1.830 10 0 CDAERP C[N@@H+]1CCC[C@H](CCNC(=[NH2+])NCCC2CC2)C1 ZINC000864465722 1164549961 /nfs/dbraw/zinc/54/99/61/1164549961.db2.gz BYJHDVWROBZQAI-CYBMUJFWSA-N 2 0 252.406 1.632 10 0 CDAERP CC(=O)NCC1CCC([NH2+]CC2=CC[N@H+](C)CC2)CC1 ZINC000865522834 1164656842 /nfs/dbraw/zinc/65/68/42/1164656842.db2.gz WCHOVWZTOUGSOZ-UHFFFAOYSA-N 2 0 279.428 1.533 10 0 CDAERP C[N@H+](Cc1nc(CC2CC2)no1)C1CCC([NH3+])CC1 ZINC000866662062 1164804619 /nfs/dbraw/zinc/80/46/19/1164804619.db2.gz WDZKVBRXRJZLSI-UHFFFAOYSA-N 2 0 264.373 1.724 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CCN(C[C@@H]2CCS(=O)(=O)C2)C1 ZINC000866706740 1164810875 /nfs/dbraw/zinc/81/08/75/1164810875.db2.gz JYYUAPZHFSTVTL-GXTWGEPZSA-N 2 0 288.457 1.118 10 0 CDAERP COCCCNC(=O)[C@H](C)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866704983 1164811111 /nfs/dbraw/zinc/81/11/11/1164811111.db2.gz RQCDIFBOROMHIQ-XJKSGUPXSA-N 2 0 299.459 1.225 10 0 CDAERP C[C@@H](NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)C(C)(C)C[NH+](C)C ZINC000870892060 1165229050 /nfs/dbraw/zinc/22/90/50/1165229050.db2.gz AUYRHIYGNFLNCA-FJJYHAOUSA-N 2 0 267.417 1.206 10 0 CDAERP CC1(C)CO[C@H](C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000872142638 1165384020 /nfs/dbraw/zinc/38/40/20/1165384020.db2.gz AADNAFGJEJPHGN-KGLIPLIRSA-N 2 0 297.443 1.121 10 0 CDAERP C[C@@H]1C[N@H+](CCOCC[NH3+])CC[C@H](C(F)(F)F)O1 ZINC000872153993 1165387840 /nfs/dbraw/zinc/38/78/40/1165387840.db2.gz LLXQDYJKZZPPCO-NXEZZACHSA-N 2 0 270.295 1.003 10 0 CDAERP C[NH+](C)CCc1ccc(C[NH2+]C[C@@H](O)CC(C)(C)O)cc1 ZINC000872207172 1165395290 /nfs/dbraw/zinc/39/52/90/1165395290.db2.gz KFPHYXHRLBNNAT-INIZCTEOSA-N 2 0 294.439 1.402 10 0 CDAERP Cc1cc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)ncn1 ZINC000257714599 1166484469 /nfs/dbraw/zinc/48/44/69/1166484469.db2.gz OPISQFMJQYMBBJ-UHFFFAOYSA-N 2 0 260.385 1.751 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC001635814674 1166625541 /nfs/dbraw/zinc/62/55/41/1166625541.db2.gz MACUFAUIWXBNBZ-YRGRVCCFSA-N 2 0 267.417 1.173 10 0 CDAERP CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001275039705 1166654791 /nfs/dbraw/zinc/65/47/91/1166654791.db2.gz WPSWMLWYKJAPHC-CHWSQXEVSA-N 2 0 255.406 1.365 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001566814137 1168037418 /nfs/dbraw/zinc/03/74/18/1168037418.db2.gz ZUJLFHWNMXIBSS-KBUPBQIOSA-N 2 0 281.444 1.896 10 0 CDAERP CCCC[N@H+](C)CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001566454235 1168283286 /nfs/dbraw/zinc/28/32/86/1168283286.db2.gz ONWMDXMQDHKZQL-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP CC[N@H+](C)CCCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001566477893 1168294028 /nfs/dbraw/zinc/29/40/28/1168294028.db2.gz ZDJSCEBLBMFZJG-UHFFFAOYSA-N 2 0 283.460 1.957 10 0 CDAERP CC(C)CC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001566771907 1168415772 /nfs/dbraw/zinc/41/57/72/1168415772.db2.gz GWDXJIOCFXEEDU-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP CC[C@H](C(=O)NC[C@H]1CCN1Cc1conc1C)[NH+](C)C ZINC001483659888 912401293 /nfs/dbraw/zinc/40/12/93/912401293.db2.gz VIQAQBPMDXWRLD-ZIAGYGMSSA-N 2 0 294.399 1.014 10 0 CDAERP O=C(N[C@@H]1CCC[C@@H]1C[NH2+]CCF)C12CCC[NH+]1CCC2 ZINC001272280733 912618258 /nfs/dbraw/zinc/61/82/58/912618258.db2.gz MGGVNJDMGBEUAY-ZIAGYGMSSA-N 2 0 297.418 1.459 10 0 CDAERP CC[N@H+](C)[C@@H]1CCN(C(=O)NCC[NH+]2CC[C@@H](C)C2)C1 ZINC001365274379 912952713 /nfs/dbraw/zinc/95/27/13/912952713.db2.gz HSGUWKZOYVWIFQ-ZIAGYGMSSA-N 2 0 282.432 1.064 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)CC(C)C)CC[N@@H+]1C ZINC001567282309 1168656665 /nfs/dbraw/zinc/65/66/65/1168656665.db2.gz VUZHCJQIYLKMKI-UONOGXRCSA-N 2 0 269.433 1.421 10 0 CDAERP C[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1csnn1 ZINC000699258040 913650955 /nfs/dbraw/zinc/65/09/55/913650955.db2.gz FJEYRPYXTWOYAK-OFLUOSHYSA-N 2 0 252.387 1.719 10 0 CDAERP C[N@H+](C[C@@H](O)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250426848 913812394 /nfs/dbraw/zinc/81/23/94/913812394.db2.gz QFBCYXGSXKXRDQ-VFSICIBPSA-N 2 0 260.381 1.935 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)C2=CC[NH+](C)CC2)C1 ZINC001567473186 1168789422 /nfs/dbraw/zinc/78/94/22/1168789422.db2.gz GIYJRFDGESQUMW-GDBMZVCRSA-N 2 0 293.455 1.873 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001266482385 895032448 /nfs/dbraw/zinc/03/24/48/895032448.db2.gz ARIGHMXYNAAQIB-UONOGXRCSA-N 2 0 267.417 1.317 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001417857257 895748010 /nfs/dbraw/zinc/74/80/10/895748010.db2.gz DUWXSNOFEWPFKK-HNNXBMFYSA-N 2 0 281.444 1.805 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCCF)C2)CC[N@@H+]1C ZINC001266708249 895874516 /nfs/dbraw/zinc/87/45/16/895874516.db2.gz QMMMGNMNHYSIJI-XDQVBPFNSA-N 2 0 285.407 1.313 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)N2CCCC[C@@H]2C)C[C@H]1CC[NH3+] ZINC000723894890 896258058 /nfs/dbraw/zinc/25/80/58/896258058.db2.gz QXVODUDDYTTYSY-HZSPNIEDSA-N 2 0 267.417 1.304 10 0 CDAERP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)[C@@H]1CCCOC1 ZINC000723967546 896302565 /nfs/dbraw/zinc/30/25/65/896302565.db2.gz CRXSUJUFNXJDDD-ILXRZTDVSA-N 2 0 270.417 1.238 10 0 CDAERP CN(CC[NH2+]CC1CCCCC1)C(=O)C1(C[NH+](C)C)CC1 ZINC001567550557 1168844826 /nfs/dbraw/zinc/84/48/26/1168844826.db2.gz DYJGNPMGYVCUNX-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CC[C@H](C[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1CC)OC ZINC001267116979 896836908 /nfs/dbraw/zinc/83/69/08/896836908.db2.gz LEOMACBDGNSQII-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)=CC[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001267195520 897109615 /nfs/dbraw/zinc/10/96/15/897109615.db2.gz CSBNADDSBQWMJJ-ZIAGYGMSSA-N 2 0 267.417 1.341 10 0 CDAERP CN(CC[NH2+]CC1CCCCCC1)C(=O)CC[NH+](C)C ZINC001567555407 1168853693 /nfs/dbraw/zinc/85/36/93/1168853693.db2.gz LKLKEXSJZVHMCJ-UHFFFAOYSA-N 2 0 283.460 1.957 10 0 CDAERP CC(C)=CC[N@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001267226693 897228070 /nfs/dbraw/zinc/22/80/70/897228070.db2.gz YLAKPBHZTKZERJ-AWEZNQCLSA-N 2 0 267.417 1.342 10 0 CDAERP CC[C@@H](C(=O)N(C)CC[NH2+]Cc1ccc(C)cc1)[NH+](C)C ZINC001567561283 1168859209 /nfs/dbraw/zinc/85/92/09/1168859209.db2.gz IGDQGENSYHAWFL-INIZCTEOSA-N 2 0 291.439 1.883 10 0 CDAERP CN(C[C@H](O)C[NH2+]CCC1SCCS1)C1CC1 ZINC000693787044 897427323 /nfs/dbraw/zinc/42/73/23/897427323.db2.gz ZWQKTSRGVBURGQ-LLVKDONJSA-N 2 0 276.471 1.227 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001267307403 897548599 /nfs/dbraw/zinc/54/85/99/897548599.db2.gz RUYZUFIDNGDEPH-CQSZACIVSA-N 2 0 269.433 1.566 10 0 CDAERP CCCCC[N@@H+]1CC[C@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001267307896 897553532 /nfs/dbraw/zinc/55/35/32/897553532.db2.gz XYGXVKIMZNTPQX-HZPDHXFCSA-N 2 0 295.471 1.957 10 0 CDAERP CCCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001283534805 897601622 /nfs/dbraw/zinc/60/16/22/897601622.db2.gz ZLGPLSVKELWATP-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](C(=O)N1CC[C@@H](CC[NH2+]CC(C)C)C1)[NH+](C)C ZINC001272616300 914182313 /nfs/dbraw/zinc/18/23/13/914182313.db2.gz LCPAJNJMSKPNEN-CABCVRRESA-N 2 0 283.460 1.811 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+](CCCF)C2)C1 ZINC001481111923 898880716 /nfs/dbraw/zinc/88/07/16/898880716.db2.gz LFYGETFLSLHNKP-KBPBESRZSA-N 2 0 285.407 1.126 10 0 CDAERP CCC[NH+](CCC)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001481136966 898965780 /nfs/dbraw/zinc/96/57/80/898965780.db2.gz XEMQQUDSRKEBJX-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001481228441 899511219 /nfs/dbraw/zinc/51/12/19/899511219.db2.gz DWBKAUUNQZSZMH-CQSZACIVSA-N 2 0 269.433 1.563 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC=C(C)C ZINC001481236456 899542676 /nfs/dbraw/zinc/54/26/76/899542676.db2.gz PTHUFSVQXPMOAQ-HNNXBMFYSA-N 2 0 281.444 1.875 10 0 CDAERP CCC[NH2+]C[C@@](C)(NC(=O)C[N@H+](C)C(C)C)C1CC1 ZINC001267864289 899897406 /nfs/dbraw/zinc/89/74/06/899897406.db2.gz ATYOOYRTBNXUMN-OAHLLOKOSA-N 2 0 269.433 1.611 10 0 CDAERP C(C[NH+]1CCN(C2CC2)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000093678119 900653403 /nfs/dbraw/zinc/65/34/03/900653403.db2.gz MXJHLIPQHKJCMX-GOOCMWNKSA-N 2 0 263.429 1.687 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NCC[C@H]2CC[NH+](CCC3CC3)C2)C1 ZINC001481464367 900796976 /nfs/dbraw/zinc/79/69/76/900796976.db2.gz JXURLSJHMUTXDZ-JKSUJKDBSA-N 2 0 293.455 1.566 10 0 CDAERP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)[C@@H]1C ZINC000925784759 901147092 /nfs/dbraw/zinc/14/70/92/901147092.db2.gz KSXYRTCVPGCJBF-DGTMBMJNSA-N 2 0 268.401 1.409 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1CC[C@H](C(F)(F)F)O1)C1C[NH2+]C1 ZINC000722391550 901227224 /nfs/dbraw/zinc/22/72/24/901227224.db2.gz LUUKTTHEJZYCIO-UJNFCWOMSA-N 2 0 252.280 1.294 10 0 CDAERP CC(C)C[C@@H](C[NH2+]CCF)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001268110691 901310697 /nfs/dbraw/zinc/31/06/97/901310697.db2.gz HLBOLTLZHHTHRD-KBPBESRZSA-N 2 0 287.423 1.418 10 0 CDAERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@H]1[NH2+]CCF ZINC001268138116 901384429 /nfs/dbraw/zinc/38/44/29/901384429.db2.gz AMDHRMKGTHMIJC-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP CC[NH+](CC)CCNC(=O)c1cccc(CC[NH+](C)C)c1 ZINC001417598521 901402390 /nfs/dbraw/zinc/40/23/90/901402390.db2.gz YZUKLTFLTUAIQL-UHFFFAOYSA-N 2 0 291.439 1.862 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CC[NH+](C)C ZINC001268286432 901749107 /nfs/dbraw/zinc/74/91/07/901749107.db2.gz KVABZPPXQKASLL-CABCVRRESA-N 2 0 283.460 1.859 10 0 CDAERP CC/C=C\CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC)[NH+](C)C ZINC001481681563 901783885 /nfs/dbraw/zinc/78/38/85/901783885.db2.gz MAJNRAQJLVNNBK-OGHGJBRZSA-N 2 0 293.455 1.968 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)CC[NH2+]C/C=C\Cl)[NH+](C)C ZINC001268376406 901957797 /nfs/dbraw/zinc/95/77/97/901957797.db2.gz XRAQGNIHVXAUOR-CNNCQTGTSA-N 2 0 275.824 1.564 10 0 CDAERP COCC[NH2+]C[C@@]1(NC(=O)CC[NH+](C)C)CCCC[C@@H]1C ZINC001481962139 902406858 /nfs/dbraw/zinc/40/68/58/902406858.db2.gz QCYCYSCEOJYMAY-HOCLYGCPSA-N 2 0 299.459 1.239 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccsc1 ZINC001268521065 902498623 /nfs/dbraw/zinc/49/86/23/902498623.db2.gz FOCNAJCLZWPPHX-SFAKSCPVSA-N 2 0 293.436 1.604 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]CC=C(C)C ZINC001482064867 902582240 /nfs/dbraw/zinc/58/22/40/902582240.db2.gz UPZIHQCVKISPBV-OAHLLOKOSA-N 2 0 281.444 1.875 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CCF ZINC001268768969 903107051 /nfs/dbraw/zinc/10/70/51/903107051.db2.gz AGTCWXRTJXZOBK-UONOGXRCSA-N 2 0 287.423 1.561 10 0 CDAERP CC(C)(C)[NH+]1CCN(C(=O)[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000711271643 903814822 /nfs/dbraw/zinc/81/48/22/903814822.db2.gz GTBLUHVSUBYGFI-GFCCVEGCSA-N 2 0 267.417 1.175 10 0 CDAERP CC[C@@H](C(=O)NCC1([NH2+]CC=C(C)C)CC1)[NH+](C)C ZINC001269494320 903860053 /nfs/dbraw/zinc/86/00/53/903860053.db2.gz YNBDPMOXIAKMMK-ZDUSSCGKSA-N 2 0 267.417 1.531 10 0 CDAERP CC(C)C[NH+]1CC(N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001269839739 904143224 /nfs/dbraw/zinc/14/32/24/904143224.db2.gz RZYGYXGYEBUZRL-UHFFFAOYSA-N 2 0 267.417 1.127 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001363038597 904227009 /nfs/dbraw/zinc/22/70/09/904227009.db2.gz OGQYXQXEYFCABM-HUUCEWRRSA-N 2 0 295.471 1.907 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@@H](C)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001482293804 904692248 /nfs/dbraw/zinc/69/22/48/904692248.db2.gz ZZLGIHITDAZYKR-CHWSQXEVSA-N 2 0 287.423 1.655 10 0 CDAERP CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001482302886 904820559 /nfs/dbraw/zinc/82/05/59/904820559.db2.gz REKXGJHEMKKWCH-KGLIPLIRSA-N 2 0 269.433 1.563 10 0 CDAERP C[NH+](C)CC1(C(=O)N2CCCC[C@H]2CC[NH2+]CCF)CC1 ZINC001482454089 905624352 /nfs/dbraw/zinc/62/43/52/905624352.db2.gz FTIXFECZOYLOKC-AWEZNQCLSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001271930420 906987936 /nfs/dbraw/zinc/98/79/36/906987936.db2.gz QNLGAHACJKLMGQ-STQMWFEESA-N 2 0 255.406 1.077 10 0 CDAERP COCC[N@H+](C)CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001482606740 907883069 /nfs/dbraw/zinc/88/30/69/907883069.db2.gz VARXXHXFADNJEV-GJZGRUSLSA-N 2 0 297.443 1.040 10 0 CDAERP CN(CC[N@H+](C)CCCF)C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001482633278 908086290 /nfs/dbraw/zinc/08/62/90/908086290.db2.gz BYMHWDKRGOYXEB-CABCVRRESA-N 2 0 299.434 1.753 10 0 CDAERP CCC(CC)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482899586 908465488 /nfs/dbraw/zinc/46/54/88/908465488.db2.gz SCVAYFSKMSZQLA-DZGCQCFKSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@@H](CC[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)[NH+](C)C ZINC000922254361 921424372 /nfs/dbraw/zinc/42/43/72/921424372.db2.gz JFWDWONDBYOCPY-GXYBRJDSSA-N 2 0 252.402 1.730 10 0 CDAERP CN(CCC[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)CC[NH+](C)C ZINC000922273286 921448078 /nfs/dbraw/zinc/44/80/78/921448078.db2.gz DFIJQHVZSDYDCR-BRWVUGGUSA-N 2 0 297.487 1.665 10 0 CDAERP C[C@@H](C(=O)NC/C=C\C[NH2+]CCF)[NH+]1CCCCCC1 ZINC001483069363 909263231 /nfs/dbraw/zinc/26/32/31/909263231.db2.gz MDPMDTLDLBYAFV-WSNITJDQSA-N 2 0 285.407 1.482 10 0 CDAERP C([C@H]1CCC2(CCC2)O1)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000712453215 909562224 /nfs/dbraw/zinc/56/22/24/909562224.db2.gz SFHZNOVMCVKKNB-MGPQQGTHSA-N 2 0 250.386 1.772 10 0 CDAERP C[N@@H+]1CCN(C(=O)C2(C[NH3+])CCCC2)CCC1(C)C ZINC000712677809 909574620 /nfs/dbraw/zinc/57/46/20/909574620.db2.gz JNMZVUPZIQBWQI-UHFFFAOYSA-N 2 0 267.417 1.448 10 0 CDAERP O[C@@H](C[NH2+]CC[C@@H]1C[C@H]1C1CC1)C[NH+]1CCCC1 ZINC000712708865 909588424 /nfs/dbraw/zinc/58/84/24/909588424.db2.gz KTDAURHHKCYKIC-ILXRZTDVSA-N 2 0 252.402 1.469 10 0 CDAERP Cn1nccc1CC[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714419082 909731824 /nfs/dbraw/zinc/73/18/24/909731824.db2.gz TWOKZKMKMJKRMS-UHFFFAOYSA-N 2 0 264.417 1.660 10 0 CDAERP CO[C@H]1C[C@H](C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000714681815 909758093 /nfs/dbraw/zinc/75/80/93/909758093.db2.gz LAVDDVLLIUWJTP-XGFWRYKXSA-N 2 0 252.402 1.778 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001483137435 909784739 /nfs/dbraw/zinc/78/47/39/909784739.db2.gz AAVVXYAPSIMIPO-AGIUHOORSA-N 2 0 275.412 1.415 10 0 CDAERP C[NH2+]CC1CC[NH+](C[C@H]2CC[C@H](C3CC3)O2)CC1 ZINC000715518363 910006516 /nfs/dbraw/zinc/00/65/16/910006516.db2.gz KAGDZILCKHYNRQ-HUUCEWRRSA-N 2 0 252.402 1.875 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cccnc1 ZINC001409450339 910409460 /nfs/dbraw/zinc/40/94/60/910409460.db2.gz DLTKXGYCZOGKEL-KGLIPLIRSA-N 2 0 292.427 1.405 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CCC2(CCC2)CO1 ZINC000716610444 910662847 /nfs/dbraw/zinc/66/28/47/910662847.db2.gz WOYZXHRBEXHBCW-UONOGXRCSA-N 2 0 270.417 1.679 10 0 CDAERP CCC[NH2+]C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001483243895 910723301 /nfs/dbraw/zinc/72/33/01/910723301.db2.gz OSDZWSYSDPFLNI-NSHDSACASA-N 2 0 274.368 1.761 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+]CC=C(C)C ZINC001483281235 910784924 /nfs/dbraw/zinc/78/49/24/910784924.db2.gz TTZVGGSBMHUAMH-ZDUSSCGKSA-N 2 0 255.406 1.389 10 0 CDAERP CCOCCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C ZINC001507295510 911034400 /nfs/dbraw/zinc/03/44/00/911034400.db2.gz NDFQTRQSZJLKED-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001483406781 911069478 /nfs/dbraw/zinc/06/94/78/911069478.db2.gz GOCBVTLEDRLRAH-AWEZNQCLSA-N 2 0 279.428 1.485 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC)C1CC1 ZINC001483564317 911257841 /nfs/dbraw/zinc/25/78/41/911257841.db2.gz MHSIUDMEFURBED-UONOGXRCSA-N 2 0 267.417 1.365 10 0 CDAERP CC1CC[NH+](CC(=O)N[C@H](C[NH2+]CCCF)C2CC2)CC1 ZINC001483596838 911307591 /nfs/dbraw/zinc/30/75/91/911307591.db2.gz PWNQXBUAZLHBMU-OAHLLOKOSA-N 2 0 299.434 1.562 10 0 CDAERP [NH3+]C1CCC(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000227237584 911753464 /nfs/dbraw/zinc/75/34/64/911753464.db2.gz DPOWHIAPEDJYTI-UWMJVVDFSA-N 2 0 279.428 1.683 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]CCC1CC1 ZINC001483951801 915234746 /nfs/dbraw/zinc/23/47/46/915234746.db2.gz LQZUXHOVBJVDQS-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]CC2CC2)C1 ZINC001484383461 915701112 /nfs/dbraw/zinc/70/11/12/915701112.db2.gz WWGMZXCOEGCHED-ZFWWWQNUSA-N 2 0 281.444 1.422 10 0 CDAERP CCCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001484511593 915833338 /nfs/dbraw/zinc/83/33/38/915833338.db2.gz JSCQLCPMZSNAOO-HUUCEWRRSA-N 2 0 281.444 1.709 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CCF)C1 ZINC001484534446 915860191 /nfs/dbraw/zinc/86/01/91/915860191.db2.gz ZIHYPCBCRUJPPT-KGLIPLIRSA-N 2 0 285.407 1.268 10 0 CDAERP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)C[NH2+]C/C=C\Cl ZINC001568176446 1169162122 /nfs/dbraw/zinc/16/21/22/1169162122.db2.gz UUGMTCWIHRBVHA-JECSTDCCSA-N 2 0 287.835 1.565 10 0 CDAERP Cc1ncc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)o1 ZINC001272688827 916045582 /nfs/dbraw/zinc/04/55/82/916045582.db2.gz RZYAMQYYCVBLNK-RISCZKNCSA-N 2 0 294.399 1.062 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC1CCOCC1 ZINC001485216843 916660351 /nfs/dbraw/zinc/66/03/51/916660351.db2.gz QAYIWVHOTOOYMX-KGLIPLIRSA-N 2 0 299.459 1.238 10 0 CDAERP CCC[NH2+][C@H](C)[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001485207287 916669285 /nfs/dbraw/zinc/66/92/85/916669285.db2.gz LRGDRQALKXMTAH-ZIAGYGMSSA-N 2 0 283.460 2.000 10 0 CDAERP C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001137610903 936373737 /nfs/dbraw/zinc/37/37/37/936373737.db2.gz JPTFAJMXUFXBHW-XUXIUFHCSA-N 2 0 267.417 1.268 10 0 CDAERP CCC[N@H+](C)CC(=O)NC1(C[NH2+]C[C@H](C)O)CCCCC1 ZINC001485456180 916980633 /nfs/dbraw/zinc/98/06/33/916980633.db2.gz LQXVTQDBTAAIOK-AWEZNQCLSA-N 2 0 299.459 1.118 10 0 CDAERP C[C@@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CN(CCF)C1 ZINC001485509184 917050046 /nfs/dbraw/zinc/05/00/46/917050046.db2.gz HDVMAKXFHMUQSY-OCCSQVGLSA-N 2 0 285.407 1.267 10 0 CDAERP C[NH+](C)CCCCC(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3CC3)C[C@H]21 ZINC001485622758 917141624 /nfs/dbraw/zinc/14/16/24/917141624.db2.gz DPRPWHFEVXQSNU-PHZGNYQRSA-N 2 0 293.455 1.422 10 0 CDAERP C[C@@H](CCC[NH2+]CCF)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001485722549 917217206 /nfs/dbraw/zinc/21/72/06/917217206.db2.gz MWWMXFZJEADYFQ-YNEHKIRRSA-N 2 0 273.396 1.171 10 0 CDAERP CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@@H](C)[NH+](C)C ZINC001434413715 917277414 /nfs/dbraw/zinc/27/74/14/917277414.db2.gz GHWMRSOJOHOXEH-RBSFLKMASA-N 2 0 281.444 1.658 10 0 CDAERP CC[NH2+][C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001485782488 917287643 /nfs/dbraw/zinc/28/76/43/917287643.db2.gz UVZWQNLVNAMPIW-CHWSQXEVSA-N 2 0 255.406 1.221 10 0 CDAERP CC[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)CC1CCCC1 ZINC001366640848 917847435 /nfs/dbraw/zinc/84/74/35/917847435.db2.gz XHKGAAVMMKFKNI-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000827076884 936486097 /nfs/dbraw/zinc/48/60/97/936486097.db2.gz WMDYIXZEEORLAL-WCQYABFASA-N 2 0 253.390 1.104 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCCCCC[NH3+])[C@@H](C)C1 ZINC000831267896 936501070 /nfs/dbraw/zinc/50/10/70/936501070.db2.gz RNFCXILVFPLJTA-LSDHHAIUSA-N 2 0 298.475 1.877 10 0 CDAERP [NH3+]CCCCCCNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000831291094 936502562 /nfs/dbraw/zinc/50/25/62/936502562.db2.gz JCLHLHHEPHVQKF-HNNXBMFYSA-N 2 0 282.432 1.291 10 0 CDAERP [NH3+]CCCCCC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000831960666 936549430 /nfs/dbraw/zinc/54/94/30/936549430.db2.gz MXLVNBWYIJAVNC-UHFFFAOYSA-N 2 0 267.417 1.639 10 0 CDAERP C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000831970252 936550603 /nfs/dbraw/zinc/55/06/03/936550603.db2.gz AUIQMOBEYIQTFH-RBSFLKMASA-N 2 0 281.444 1.885 10 0 CDAERP C[C@H](CC[NH2+]CC1CCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001272780607 919266767 /nfs/dbraw/zinc/26/67/67/919266767.db2.gz AYVYDEIWVUEKIQ-UMVBOHGHSA-N 2 0 281.444 1.611 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1cncs1 ZINC001485948372 920591888 /nfs/dbraw/zinc/59/18/88/920591888.db2.gz QRGHNTHIFPONKX-LBPRGKRZSA-N 2 0 298.456 1.421 10 0 CDAERP COCCCC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1C ZINC001486182113 920784821 /nfs/dbraw/zinc/78/48/21/920784821.db2.gz XFLROESZUPWLQF-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)N(CC[N@H+](C)C(C)C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001486370527 920952143 /nfs/dbraw/zinc/95/21/43/920952143.db2.gz XWIUFDUQLPWHAD-MRXNPFEDSA-N 2 0 295.471 1.905 10 0 CDAERP CC(C)N(CC[N@H+](C)C(C)C)C(=O)CCC[NH+](C)C ZINC001486375108 920957269 /nfs/dbraw/zinc/95/72/69/920957269.db2.gz UERPCUGDYDATDE-UHFFFAOYSA-N 2 0 271.449 1.905 10 0 CDAERP CC(C)[NH2+]C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001486419917 920992546 /nfs/dbraw/zinc/99/25/46/920992546.db2.gz MLCJMPPIKYPBTB-KBPBESRZSA-N 2 0 283.460 1.857 10 0 CDAERP CCOCCC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001486457559 921034550 /nfs/dbraw/zinc/03/45/50/921034550.db2.gz GCHXPHXCKVBVSL-YMAMQOFZSA-N 2 0 297.443 1.086 10 0 CDAERP CCC[N@H+](C)CC(=O)NC1(C2CC[NH+](CC)CC2)CC1 ZINC001486490045 921065196 /nfs/dbraw/zinc/06/51/96/921065196.db2.gz DNPPAHCIDCMTGR-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@H](C(=O)NCC1=CC[N@H+](C[C@H](C)OC)CC1)[NH+](C)C ZINC001486518662 921094446 /nfs/dbraw/zinc/09/44/46/921094446.db2.gz DMBDEWPLVCPHAN-DZGCQCFKSA-N 2 0 297.443 1.110 10 0 CDAERP CC1(C)O[C@@H]2C[C@@H]([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)C[C@@H]2O1 ZINC000922870186 921866582 /nfs/dbraw/zinc/86/65/82/921866582.db2.gz PBEMWWUEGCODJE-SBJFKYEJSA-N 2 0 280.412 1.885 10 0 CDAERP CC(C)C[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)C(C)C ZINC001568320468 1169242762 /nfs/dbraw/zinc/24/27/62/1169242762.db2.gz ICYKIDGQXGZYIV-ZDUSSCGKSA-N 2 0 257.422 1.419 10 0 CDAERP C[N@@H+]1C[C@@H]2C[NH+](CCC3CC[NH2+]CC3)C[C@]2(C)C1 ZINC000702344119 922522472 /nfs/dbraw/zinc/52/24/72/922522472.db2.gz QKDLMHMZDMQHRH-CABCVRRESA-N 3 0 251.418 1.260 10 0 CDAERP [NH3+]Cc1ccc2c(c1)CCCN2C(=O)C[C@H]1CC[NH2+]C1 ZINC000843341871 922822239 /nfs/dbraw/zinc/82/22/39/922822239.db2.gz HZNZJEOLEPZRQW-CYBMUJFWSA-N 2 0 273.380 1.424 10 0 CDAERP COC1CC(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)C1 ZINC000703882853 922839008 /nfs/dbraw/zinc/83/90/08/922839008.db2.gz NVPZPPAIKSERCG-RSJDFQLWSA-N 2 0 280.334 1.871 10 0 CDAERP CC[NH2+]CC1CCN(Cc2cc(Cl)n(C)n2)CC1 ZINC000706137646 923038195 /nfs/dbraw/zinc/03/81/95/923038195.db2.gz TVGXREJLUIEZFK-UHFFFAOYSA-N 2 0 270.808 1.895 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001490947972 936834562 /nfs/dbraw/zinc/83/45/62/936834562.db2.gz FLTBDHKRXGMLKX-MGPQQGTHSA-N 2 0 269.433 1.754 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1C[C@@H]([NH2+]CC(C)C)C1 ZINC001491022630 936843460 /nfs/dbraw/zinc/84/34/60/936843460.db2.gz CFVLGEPJGBDPRT-MJBXVCDLSA-N 2 0 287.423 1.559 10 0 CDAERP Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)CC[NH+](C)C)C2)cs1 ZINC001491051353 936846934 /nfs/dbraw/zinc/84/69/34/936846934.db2.gz ZNYRROJEYAIWTO-OKILXGFUSA-N 2 0 295.452 1.745 10 0 CDAERP C[NH+](C)C1(C(=O)NCc2ccc3c[nH+]cn3c2)CCC1 ZINC000837857680 936858821 /nfs/dbraw/zinc/85/88/21/936858821.db2.gz VRQGSSNQUUVAQM-UHFFFAOYSA-N 2 0 272.352 1.435 10 0 CDAERP CCCC[N@H+](CCOC)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923312778 923730112 /nfs/dbraw/zinc/73/01/12/923730112.db2.gz LKQDIHQWYTVOLB-CYBMUJFWSA-N 2 0 256.390 1.113 10 0 CDAERP CCO[C@H]1C[C@@H](O)C12CC[NH+](CCC[NH2+]C1CC1)CC2 ZINC000923314601 923730137 /nfs/dbraw/zinc/73/01/37/923730137.db2.gz WPIRGEPOSNAJRH-CABCVRRESA-N 2 0 282.428 1.380 10 0 CDAERP CSCC[C@@H](C)[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923315093 923733915 /nfs/dbraw/zinc/73/39/15/923733915.db2.gz FAKAGVHRLDPXAC-VXGBXAGGSA-N 2 0 258.431 1.438 10 0 CDAERP Cc1nc(C(C)(C)[NH2+]C[C@@H]2CC3(C[NH2+]C3)CO2)sc1C ZINC000923326281 923747519 /nfs/dbraw/zinc/74/75/19/923747519.db2.gz KBTINWVSSNYOPS-LBPRGKRZSA-N 2 0 295.452 1.963 10 0 CDAERP O[C@@H](CCc1ccccc1)C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000923381352 923794654 /nfs/dbraw/zinc/79/46/54/923794654.db2.gz KVXWNRFLFMPESW-INIZCTEOSA-N 2 0 274.408 1.808 10 0 CDAERP C[C@@H](CC[NH2+]Cc1ccns1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001273176201 923797761 /nfs/dbraw/zinc/79/77/61/923797761.db2.gz PMOFDEIKWYFNQO-NWDGAFQWSA-N 2 0 296.440 1.079 10 0 CDAERP COc1ccc([C@H]2CC[N@@H+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)C2)cc1F ZINC000923408392 923815201 /nfs/dbraw/zinc/81/52/01/923815201.db2.gz CNZLJYLYWGXORR-JURCDPSOSA-N 2 0 294.370 1.474 10 0 CDAERP C(C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1)O[C@@H]1CCOC1 ZINC000923428658 923822220 /nfs/dbraw/zinc/82/22/20/923822220.db2.gz PXBDQKBIWRYBAN-HUUCEWRRSA-N 2 0 268.401 1.258 10 0 CDAERP CC(C)CC[C@H](O)C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923446132 923830760 /nfs/dbraw/zinc/83/07/60/923830760.db2.gz ZZYSMFZCVPJSKB-LSDHHAIUSA-N 2 0 284.444 1.613 10 0 CDAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](C[C@@H]1C[C@H]3C[C@H]3C1)CC2 ZINC000923447260 923833981 /nfs/dbraw/zinc/83/39/81/923833981.db2.gz RGUULBSHEVESAQ-LXTVHRRPSA-N 2 0 264.413 1.862 10 0 CDAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](C[C@H]1CC[C@@H](C3CC3)O1)CC2 ZINC000923447620 923834555 /nfs/dbraw/zinc/83/45/55/923834555.db2.gz UXKWATVNHPUGMP-PMPSAXMXSA-N 2 0 294.439 1.774 10 0 CDAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CCO[C@H]1CC1(F)F)CC2 ZINC000923449786 923841713 /nfs/dbraw/zinc/84/17/13/923841713.db2.gz CBANWBQQILNWIY-NEPJUHHUSA-N 2 0 290.354 1.240 10 0 CDAERP CCCCCNC(=O)C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923450418 923842185 /nfs/dbraw/zinc/84/21/85/923842185.db2.gz HDUQIWQBURKWCK-CQSZACIVSA-N 2 0 297.443 1.123 10 0 CDAERP C[C@H](c1ccncc1)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923451628 923844070 /nfs/dbraw/zinc/84/40/70/923844070.db2.gz OUZDAOQZSXBARL-HIFRSBDPSA-N 2 0 275.396 1.972 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H](C[NH2+]CCC3CC3)C2)C1 ZINC001491185512 936870617 /nfs/dbraw/zinc/87/06/17/936870617.db2.gz RJXHVAWIQGXUPP-CVEARBPZSA-N 2 0 293.455 1.566 10 0 CDAERP C(C[N@@H+]1CCOC[C@H]1CC1CC1)[C@@H]1CCC[NH2+]C1 ZINC000923554359 923929424 /nfs/dbraw/zinc/92/94/24/923929424.db2.gz NRVZLDLQONWPBL-LSDHHAIUSA-N 2 0 252.402 1.877 10 0 CDAERP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1cncc(F)c1 ZINC001410441712 925693839 /nfs/dbraw/zinc/69/38/39/925693839.db2.gz SJLNBURRLGPNFS-LBPRGKRZSA-N 2 0 296.390 1.109 10 0 CDAERP [NH3+]CCN(CCc1ccccc1)C(=O)C[C@@H]([NH3+])C1CC1 ZINC000841851797 937018251 /nfs/dbraw/zinc/01/82/51/937018251.db2.gz XUOJJKKAYOLAPU-OAHLLOKOSA-N 2 0 275.396 1.144 10 0 CDAERP [NH3+]Cc1ccc(-c2noc(C[C@H]([NH3+])C3CC3)n2)cc1 ZINC000842650638 937068304 /nfs/dbraw/zinc/06/83/04/937068304.db2.gz ZEMDXESZUNOPJV-LBPRGKRZSA-N 2 0 258.325 1.475 10 0 CDAERP CC(C)C[N@H+](C)CCC[NH2+]C1CCN(C=O)CC1 ZINC000846178455 926410165 /nfs/dbraw/zinc/41/01/65/926410165.db2.gz VTKNBRQPHWJYCZ-UHFFFAOYSA-N 2 0 255.406 1.175 10 0 CDAERP CC1(C)[C@H]([NH2+]C[C@@H]2CCCOC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925485807 926484658 /nfs/dbraw/zinc/48/46/58/926484658.db2.gz OURQHNOWMJDJIB-RFQIPJPRSA-N 2 0 252.402 1.779 10 0 CDAERP CC[N@H+](C)CCOCCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001489223077 926844974 /nfs/dbraw/zinc/84/49/74/926844974.db2.gz SECGFBCUDJBNJB-GJZGRUSLSA-N 2 0 299.459 1.286 10 0 CDAERP CC(C)[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001490680253 927279232 /nfs/dbraw/zinc/27/92/32/927279232.db2.gz URDORBKJDXHQQN-ZIAGYGMSSA-N 2 0 267.417 1.364 10 0 CDAERP C[C@@H](C[N@H+](C)CC1CC(C)(C)C1)NC(=O)CC[NH+](C)C ZINC001439367027 927283053 /nfs/dbraw/zinc/28/30/53/927283053.db2.gz UMUWWIDOYDCGAZ-ZDUSSCGKSA-N 2 0 283.460 1.811 10 0 CDAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C=C1CC[NH2+]CC1 ZINC000852860602 927899324 /nfs/dbraw/zinc/89/93/24/927899324.db2.gz SQAJQRXAHQJNDP-AWEZNQCLSA-N 2 0 265.401 1.096 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C=C1CC[NH2+]CC1 ZINC000852865259 927900925 /nfs/dbraw/zinc/90/09/25/927900925.db2.gz XNDKYDBEWBIKGU-CQSZACIVSA-N 2 0 265.401 1.287 10 0 CDAERP O=C(N1CC[C@@]2(CCC[NH2+]2)C1)C1([NH2+]C2CC2)CCC1 ZINC000852893181 927909497 /nfs/dbraw/zinc/90/94/97/927909497.db2.gz SBBRWGRRCKFGAR-AWEZNQCLSA-N 2 0 263.385 1.016 10 0 CDAERP O[C@H](C[NH2+]CC1CC[NH+](CC2CC2)CC1)C1CC1 ZINC000853131667 927957168 /nfs/dbraw/zinc/95/71/68/927957168.db2.gz LDLREWJYKHTWDJ-OAHLLOKOSA-N 2 0 252.402 1.469 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H]1[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000854229493 928173616 /nfs/dbraw/zinc/17/36/16/928173616.db2.gz PLBXHZSUBKZVAB-KKOKHZNYSA-N 2 0 260.328 1.518 10 0 CDAERP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000854651051 928255311 /nfs/dbraw/zinc/25/53/11/928255311.db2.gz VNPLWQKMLPVRCF-WWGRRREGSA-N 2 0 299.434 1.750 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000855164394 928367200 /nfs/dbraw/zinc/36/72/00/928367200.db2.gz LIDUMYWPBXAOTL-OAHLLOKOSA-N 2 0 293.455 1.850 10 0 CDAERP C[NH+]1CCC(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC1 ZINC000925490070 928578111 /nfs/dbraw/zinc/57/81/11/928578111.db2.gz AKXLIBSJPWOLJX-ILXRZTDVSA-N 3 0 265.445 1.694 10 0 CDAERP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857854358 928757440 /nfs/dbraw/zinc/75/74/40/928757440.db2.gz LBKAPZWDTWPOMD-CABCVRRESA-N 2 0 292.427 1.614 10 0 CDAERP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCCc3cn[nH]c32)CC1 ZINC000857846799 928757558 /nfs/dbraw/zinc/75/75/58/928757558.db2.gz HQISHOGFRFGVBF-OAHLLOKOSA-N 2 0 291.443 1.403 10 0 CDAERP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCCc3cn[nH]c32)CC1(C)C ZINC000857866885 928764495 /nfs/dbraw/zinc/76/44/95/928764495.db2.gz VBXBWGWKYGMFAB-CQSZACIVSA-N 2 0 291.443 1.403 10 0 CDAERP C[N@H+](C[C@H](O)C[NH+]1CCCC1)C[C@@H]1CC=CCC1 ZINC000784389585 937300326 /nfs/dbraw/zinc/30/03/26/937300326.db2.gz CQFBQDRGUJKHOK-CABCVRRESA-N 2 0 252.402 1.731 10 0 CDAERP Cc1c(C[NH2+]CC2(O)CC[NH+](C)CC2)ccnc1F ZINC000862281512 929395862 /nfs/dbraw/zinc/39/58/62/929395862.db2.gz NNBOWOFIAOXRSX-UHFFFAOYSA-N 2 0 267.348 1.075 10 0 CDAERP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000817496093 930540688 /nfs/dbraw/zinc/54/06/88/930540688.db2.gz ROUABLGSTYMNIV-BBRMVZONSA-N 2 0 299.434 1.752 10 0 CDAERP CC(C)OC(=O)N1CCC([NH2+][C@H]2CCC[C@H]2[NH3+])CC1 ZINC000817911365 930627748 /nfs/dbraw/zinc/62/77/48/930627748.db2.gz KQUWDWVSIFWWOT-OLZOCXBDSA-N 2 0 269.389 1.465 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1COC2(CCCCC2)O1 ZINC000817919056 930631744 /nfs/dbraw/zinc/63/17/44/930631744.db2.gz PAFNZWSBFZNYPS-KBPBESRZSA-N 2 0 286.416 1.406 10 0 CDAERP CC(C)[C@H](C(=O)N(C)C1CCC([NH3+])CC1)[C@H](C)[NH3+] ZINC000818528719 930714360 /nfs/dbraw/zinc/71/43/60/930714360.db2.gz HTXOJNPVPKSGQA-WTIISPKJSA-N 2 0 255.406 1.334 10 0 CDAERP C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cn1)C1=CC[N@H+](C)CC1 ZINC000819220910 930775644 /nfs/dbraw/zinc/77/56/44/930775644.db2.gz TYNDXTWVKZKQGJ-ABAIWWIYSA-N 2 0 279.359 1.494 10 0 CDAERP CC(C)[NH2+]C/C=C\CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001274367595 931494278 /nfs/dbraw/zinc/49/42/78/931494278.db2.gz CKVIGRIKJVYBJD-WLMCBFPDSA-N 2 0 299.434 1.869 10 0 CDAERP C[C@H](C[NH2+]CCC1CCCC1)NC(=O)C[NH+]1CCCC1 ZINC001275022886 931635883 /nfs/dbraw/zinc/63/58/83/931635883.db2.gz NMWGAXAGWXYKRJ-CQSZACIVSA-N 2 0 281.444 1.757 10 0 CDAERP CCC[NH2+]C[C@@H](NC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001323115242 931738837 /nfs/dbraw/zinc/73/88/37/931738837.db2.gz VQOCBUVUVYPGJA-OAHLLOKOSA-N 2 0 281.444 1.757 10 0 CDAERP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CCC([NH2+]CCCF)CC1 ZINC001275595319 931899641 /nfs/dbraw/zinc/89/96/41/931899641.db2.gz VSVYRUKHZOBFPK-NRXISQOPSA-N 2 0 299.434 1.799 10 0 CDAERP Cn1ccnc1CN1CC[NH+](CCCCCC[NH3+])CC1 ZINC000846220395 931995032 /nfs/dbraw/zinc/99/50/32/931995032.db2.gz IFHYPOCPJFCSKK-UHFFFAOYSA-N 2 0 279.432 1.057 10 0 CDAERP [NH3+]CCCCCCN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000846219359 931995850 /nfs/dbraw/zinc/99/58/50/931995850.db2.gz AHBMXRFMIDWECE-HNNXBMFYSA-N 2 0 262.401 1.547 10 0 CDAERP CCN1C[C@H](CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)OC1=O ZINC000846813177 932140861 /nfs/dbraw/zinc/14/08/61/932140861.db2.gz YTWSUDCYJCECIE-AGIUHOORSA-N 2 0 269.389 1.242 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](CO)Cc2ccccc2)C12CCC2 ZINC000925499932 932483456 /nfs/dbraw/zinc/48/34/56/932483456.db2.gz BVNMBYZPSRXKSU-BZUAXINKSA-N 2 0 274.408 1.697 10 0 CDAERP CCOC(=O)C[C@H]1CCC[N@@H+]1C[C@]1(C)CC[NH2+]C1 ZINC001118242468 937607960 /nfs/dbraw/zinc/60/79/60/937607960.db2.gz DRJBWKCKVCQSJP-TZMCWYRMSA-N 2 0 254.374 1.404 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001412624588 932568872 /nfs/dbraw/zinc/56/88/72/932568872.db2.gz XDNRBEOQRVEURG-FPCVCCKLSA-N 2 0 293.455 1.802 10 0 CDAERP CC1CC(C[NH2+]CCCN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001276226351 932661883 /nfs/dbraw/zinc/66/18/83/932661883.db2.gz DSHBIKSSYBKIQY-FHERZECASA-N 2 0 295.471 1.812 10 0 CDAERP CCC[NH2+]CC1(NC(=O)C23CC[NH+](CC2)C3)CCCCC1 ZINC001276237831 932673128 /nfs/dbraw/zinc/67/31/28/932673128.db2.gz WDFBSBSGJOJGJG-UHFFFAOYSA-N 2 0 293.455 1.901 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cccnc1-n1cccn1 ZINC000924640084 932807666 /nfs/dbraw/zinc/80/76/66/932807666.db2.gz KPYIDCPJDXPURM-XYPWUTKMSA-N 2 0 297.406 1.697 10 0 CDAERP CC[C@@H](C[C@](C)(O)CC)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000924657065 932808989 /nfs/dbraw/zinc/80/89/89/932808989.db2.gz FJPXEQSWKSHDDX-DLBZAZTESA-N 2 0 299.503 1.933 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CCCN2CCCC[C@@H]12)N1CC[NH+](C)CC1 ZINC000924964257 932837382 /nfs/dbraw/zinc/83/73/82/932837382.db2.gz JWKOUEZUHJQTEY-ZACQAIPSSA-N 2 0 294.487 1.229 10 0 CDAERP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000924994880 932841422 /nfs/dbraw/zinc/84/14/22/932841422.db2.gz WWPLABDJQSSEKT-QRNKSROTSA-N 2 0 281.444 1.170 10 0 CDAERP C[C@@H]1OC[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)[C@@H]1C ZINC000925094323 932850390 /nfs/dbraw/zinc/85/03/90/932850390.db2.gz NJELJKZTUVYBEO-HOSILWTGSA-N 2 0 282.428 1.500 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+][C@H](C2CCC2)[C@H]2CCOC2)CC1 ZINC000925111769 932852474 /nfs/dbraw/zinc/85/24/74/932852474.db2.gz CWRYABVKIJYTBB-LSDHHAIUSA-N 2 0 282.428 1.238 10 0 CDAERP C[C@H]1COC[C@H]1[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000925158294 932857318 /nfs/dbraw/zinc/85/73/18/932857318.db2.gz YRRYWDNDBXBREM-JKSUJKDBSA-N 2 0 295.471 1.561 10 0 CDAERP C[C@@H]1[C@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC[N@@H+]1C ZINC000925321597 932870180 /nfs/dbraw/zinc/87/01/80/932870180.db2.gz NGEDBDSRVDLIJI-QLFBSQMISA-N 2 0 294.443 1.349 10 0 CDAERP CCN(CCC[NH+](CC)CC)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000925335821 932874864 /nfs/dbraw/zinc/87/48/64/932874864.db2.gz YMEKTVJHWXAOGP-LSDHHAIUSA-N 2 0 298.475 1.842 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](O)C2CCCCC2)C12CCC2 ZINC000925476249 932890768 /nfs/dbraw/zinc/89/07/68/932890768.db2.gz IJYIFQHZPMZUQW-MGPQQGTHSA-N 2 0 252.402 1.787 10 0 CDAERP CC(=O)N1CCC(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925499080 932894016 /nfs/dbraw/zinc/89/40/16/932894016.db2.gz MLRDZUADFSFEBP-LSDHHAIUSA-N 2 0 281.444 1.741 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2cccc(F)c2)C12CCC2 ZINC000925502952 932894507 /nfs/dbraw/zinc/89/45/07/932894507.db2.gz MFILODLOVQEFMK-NWANDNLSSA-N 2 0 294.370 1.425 10 0 CDAERP C[N@H+](CCN[C@@H]1CC[NH2+]C12CCC2)Cc1ccccc1 ZINC000925506587 932895870 /nfs/dbraw/zinc/89/58/70/932895870.db2.gz WSUZTMKHPFVAPZ-MRXNPFEDSA-N 2 0 273.424 1.993 10 0 CDAERP CC[C@H](O)CC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925557066 932905276 /nfs/dbraw/zinc/90/52/76/932905276.db2.gz BCFWWNMTUMXCHC-ZNMIVQPWSA-N 2 0 254.418 1.905 10 0 CDAERP [NH3+][C@H]1C[C@@H]([NH2+]CCCNC(=O)C2CCC2)C12CCC2 ZINC000925578029 932909754 /nfs/dbraw/zinc/90/97/54/932909754.db2.gz YUXXYHZGARMIIX-QWHCGFSZSA-N 2 0 265.401 1.152 10 0 CDAERP Cc1ncc(CC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)s1 ZINC000925616940 932915211 /nfs/dbraw/zinc/91/52/11/932915211.db2.gz ODFHKCOCGCIZNK-VXGBXAGGSA-N 2 0 251.399 1.854 10 0 CDAERP CC1(C)[C@H]([NH2+]CC[C@@H]2CCOC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925637433 932918569 /nfs/dbraw/zinc/91/85/69/932918569.db2.gz LDMRQYLAYRWWKS-YIYPIFLZSA-N 2 0 252.402 1.779 10 0 CDAERP CO[C@H](CC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C(F)(F)F ZINC000925646209 932920693 /nfs/dbraw/zinc/92/06/93/932920693.db2.gz UGFRJZJKBMJWDO-WUFAPUTGSA-N 2 0 278.318 1.540 10 0 CDAERP COC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)[C@H]1CCCO1 ZINC000925651807 932921896 /nfs/dbraw/zinc/92/18/96/932921896.db2.gz ABUJPOABRTZYPR-RFQIPJPRSA-N 2 0 270.417 1.676 10 0 CDAERP [NH3+][C@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc(F)cc2)C12CCC2 ZINC000925651419 932922362 /nfs/dbraw/zinc/92/23/62/932922362.db2.gz CHZSNQOTYCBTMT-MELADBBJSA-N 2 0 264.344 1.719 10 0 CDAERP [NH3+][C@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc(F)cc2)C12CCC2 ZINC000925651417 932922505 /nfs/dbraw/zinc/92/25/05/932922505.db2.gz CHZSNQOTYCBTMT-HZSPNIEDSA-N 2 0 264.344 1.719 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000925772436 932938196 /nfs/dbraw/zinc/93/81/96/932938196.db2.gz HXBDYMGBTWCZBX-CHWSQXEVSA-N 2 0 256.390 1.289 10 0 CDAERP FC1(F)CC[NH2+]C[C@H]1CNC1CC[NH+](C2CC2)CC1 ZINC000925776227 932937501 /nfs/dbraw/zinc/93/75/01/932937501.db2.gz KFAQKYXVDDATIH-NSHDSACASA-N 2 0 273.371 1.448 10 0 CDAERP C[N@@H+]1CC[C@H](NC[C@@H]2C[NH2+]CCC2(F)F)[C@@H]2CCC[C@@H]21 ZINC000925777502 932937702 /nfs/dbraw/zinc/93/77/02/932937702.db2.gz PGTJJGJSXHNHCB-XUXIUFHCSA-N 2 0 287.398 1.694 10 0 CDAERP C[C@@H]1C[C@H](NC[C@H]2C[NH2+]CCC2(F)F)C[N@@H+]1C1CC1 ZINC000925775003 932937796 /nfs/dbraw/zinc/93/77/96/932937796.db2.gz BPYNTJSJPMBOEW-UTUOFQBUSA-N 2 0 273.371 1.446 10 0 CDAERP C(C[C@H]1CCCO1)[NH2+][C@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000925776075 932937958 /nfs/dbraw/zinc/93/79/58/932937958.db2.gz VLYOYPTYAUPEJD-QPSCCSFWSA-N 2 0 268.401 1.302 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925797514 932940945 /nfs/dbraw/zinc/94/09/45/932940945.db2.gz UGBUOZXLMISWFJ-SYQHCUMBSA-N 3 0 253.434 1.728 10 0 CDAERP NC(=O)N1CCC([NH2+]CCCCCC2CC[NH2+]CC2)CC1 ZINC000925816172 932941984 /nfs/dbraw/zinc/94/19/84/932941984.db2.gz GTCXGNRHFWZKSL-UHFFFAOYSA-N 2 0 296.459 1.679 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@H](C2CC2)C2CCCC2)CC1 ZINC000925816765 932942137 /nfs/dbraw/zinc/94/21/37/932942137.db2.gz IKFAGJFNVLLFNP-INIZCTEOSA-N 2 0 265.445 1.968 10 0 CDAERP C1=C[C@@H](C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)[C@H]2CO[C@@H]1C2 ZINC000925833170 932943165 /nfs/dbraw/zinc/94/31/65/932943165.db2.gz UZTHOGWKIQOWOV-SGVHDBMBSA-N 2 0 260.381 1.164 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]CC[C@H]2CNC(=O)C2)c2ccccc21 ZINC000925837531 932944765 /nfs/dbraw/zinc/94/47/65/932944765.db2.gz GMKAHNBGBDVUSU-HONMWMINSA-N 2 0 259.353 1.247 10 0 CDAERP O=C1O[C@H](C[NH2+][C@H]2CC[C@H]2C2CCC2)CC12CC[NH2+]CC2 ZINC000925849322 932945857 /nfs/dbraw/zinc/94/58/57/932945857.db2.gz HZRXDJCWPYJDJL-KKUMJFAQSA-N 2 0 292.423 1.840 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CCCCCN2CC[NH2+]CC2)CC[N@@H+]1C ZINC000925843614 932946014 /nfs/dbraw/zinc/94/60/14/932946014.db2.gz FYVXNAUKWVOVGE-CVEARBPZSA-N 3 0 282.476 1.134 10 0 CDAERP C[C@@H](CS(C)(=O)=O)[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925887219 932950062 /nfs/dbraw/zinc/95/00/62/932950062.db2.gz VOLKGDJKMJJQLI-AEGPPILISA-N 2 0 296.436 1.068 10 0 CDAERP Cn1nnc2c1C[C@H]([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)CC2 ZINC000925892933 932950269 /nfs/dbraw/zinc/95/02/69/932950269.db2.gz IABSNJWAKROUOQ-ZOBORPQBSA-N 2 0 289.427 1.183 10 0 CDAERP C[C@H]([NH2+]CCOCC[NH+](C)C)c1cnn(C2CCC2)c1 ZINC000926252056 932976425 /nfs/dbraw/zinc/97/64/25/932976425.db2.gz CGLAYOURVPOLJY-ZDUSSCGKSA-N 2 0 280.416 1.837 10 0 CDAERP C[N@H+](CCCC[NH2+][C@H]1CCOC12CCOCC2)C1CC1 ZINC000926558017 932999538 /nfs/dbraw/zinc/99/95/38/932999538.db2.gz FLSRBZLQEUDMTG-HNNXBMFYSA-N 2 0 282.428 1.789 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2N[C@H]1CC[NH+](C(C)(C)C)C1 ZINC000926684284 933014029 /nfs/dbraw/zinc/01/40/29/933014029.db2.gz SCELSXJITIGMJP-MBOZISHXSA-N 2 0 265.445 1.789 10 0 CDAERP COCC(COC)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000929275763 933220911 /nfs/dbraw/zinc/22/09/11/933220911.db2.gz MLTQSNGUJCFALR-UHFFFAOYSA-N 2 0 270.417 1.456 10 0 CDAERP C[N@@H+]1CCC[C@@H]2C[NH+](CCO[C@H]3CCOC3)CC[C@H]21 ZINC000929849338 933281419 /nfs/dbraw/zinc/28/14/19/933281419.db2.gz XHMKWRZHELUBCD-QLFBSQMISA-N 2 0 268.401 1.208 10 0 CDAERP CN(C)c1cccc(Cl)c1C[NH2+]CCOCCC[NH3+] ZINC001118953160 937681669 /nfs/dbraw/zinc/68/16/69/937681669.db2.gz BKJCSVFVCQJLRD-UHFFFAOYSA-N 2 0 285.819 1.861 10 0 CDAERP CCc1onc(C)c1C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931479128 933569709 /nfs/dbraw/zinc/56/97/09/933569709.db2.gz KSHGOUYABHDCDA-UHFFFAOYSA-N 2 0 281.400 1.434 10 0 CDAERP Cc1nnc(CC[N@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)o1 ZINC000931764530 933622730 /nfs/dbraw/zinc/62/27/30/933622730.db2.gz QXENMXZESBYVIS-GFCCVEGCSA-N 2 0 287.367 1.526 10 0 CDAERP C[C@H]1C[C@@H](N(C)C(=O)CCCCC[NH3+])CC[N@@H+]1C ZINC000155783132 934235967 /nfs/dbraw/zinc/23/59/67/934235967.db2.gz DYJAYJMVUSQBGB-STQMWFEESA-N 2 0 255.406 1.447 10 0 CDAERP CO[C@@]1(C[NH2+]C2CC[NH+](C(C)C)CC2)CCSC1 ZINC000719230171 934846213 /nfs/dbraw/zinc/84/62/13/934846213.db2.gz QJQUYGXYKJNHNZ-CQSZACIVSA-N 2 0 272.458 1.971 10 0 CDAERP C[NH+](C)CC1(O)CC[NH+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CC1 ZINC000720590128 935196937 /nfs/dbraw/zinc/19/69/37/935196937.db2.gz APZFFLRLYOEQQA-KKUMJFAQSA-N 2 0 282.428 1.333 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000720880153 935259349 /nfs/dbraw/zinc/25/93/49/935259349.db2.gz NBBRBAAFVLOFHF-ZNMIVQPWSA-N 2 0 281.444 1.693 10 0 CDAERP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCS[C@H](C(F)(F)F)C2)C1 ZINC000721494949 935738455 /nfs/dbraw/zinc/73/84/55/935738455.db2.gz YNWTWSZQHSUNER-YIZRAAEISA-N 2 0 254.321 1.703 10 0 CDAERP CN1C[C@H](CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1=O ZINC000723547970 935774106 /nfs/dbraw/zinc/77/41/06/935774106.db2.gz OTSYRNNFYJPPBS-KBUPBQIOSA-N 2 0 279.428 1.365 10 0 CDAERP CC[NH+](CC)CC[C@H](C)NC(=O)C[NH+](CC)CC ZINC001124049569 936276283 /nfs/dbraw/zinc/27/62/83/936276283.db2.gz YZDBPLCSYVSSIU-ZDUSSCGKSA-N 2 0 257.422 1.565 10 0 CDAERP CC1CC[NH+](CCN[C@@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000405360859 940985201 /nfs/dbraw/zinc/98/52/01/940985201.db2.gz UBITZRSVZDTPHQ-ZIAGYGMSSA-N 2 0 251.418 1.578 10 0 CDAERP CCO[C@@H]1C[N@H+](C[C@@H](O)CC2CCCC2)C[C@H]1C[NH3+] ZINC000405551380 940990757 /nfs/dbraw/zinc/99/07/57/940990757.db2.gz ZBGJNRFILZPAFG-QLFBSQMISA-N 2 0 270.417 1.223 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001362092387 970876551 /nfs/dbraw/zinc/87/65/51/970876551.db2.gz VHCHFKIRNIGOQE-UONOGXRCSA-N 2 0 285.407 1.411 10 0 CDAERP CC[N@H+]1CC=C(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001279696425 942401117 /nfs/dbraw/zinc/40/11/17/942401117.db2.gz YDNFPGSZBOWYIL-INIZCTEOSA-N 2 0 293.455 1.875 10 0 CDAERP CC[C@H](C(=O)N1C[C@@H]([NH2+]CCCF)C(C)(C)C1)[NH+](C)C ZINC001284293403 943140384 /nfs/dbraw/zinc/14/03/84/943140384.db2.gz PUQPLWCKKBKLOX-CHWSQXEVSA-N 2 0 287.423 1.513 10 0 CDAERP CC[NH+]1CCC([C@@H](C)NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001284702541 943246282 /nfs/dbraw/zinc/24/62/82/943246282.db2.gz QHUFCVGMGAXPSW-CYBMUJFWSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)OCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001277917900 944018187 /nfs/dbraw/zinc/01/81/87/944018187.db2.gz YFXMRSRFFICFDV-LSDHHAIUSA-N 2 0 297.443 1.086 10 0 CDAERP CC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCOC)[NH+](C)C ZINC001264004778 944061928 /nfs/dbraw/zinc/06/19/28/944061928.db2.gz FCRAFPQRCLEKLX-QLFBSQMISA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](CC)CCF)CC[N@@H+]1C ZINC001265114670 944234450 /nfs/dbraw/zinc/23/44/50/944234450.db2.gz KFPGHGYAFAMDKJ-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP CC[N@H+](CCCF)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001265146066 944246943 /nfs/dbraw/zinc/24/69/43/944246943.db2.gz LUBLYAYHSCNFHM-CYBMUJFWSA-N 2 0 273.396 1.126 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@H+](CCCCCF)C2)CC1 ZINC001265301412 944334056 /nfs/dbraw/zinc/33/40/56/944334056.db2.gz KBEUWVDSPNTIPY-CQSZACIVSA-N 2 0 299.434 1.659 10 0 CDAERP CCC[NH+]1CCC2(C[C@@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001265332588 944348381 /nfs/dbraw/zinc/34/83/81/944348381.db2.gz XDEVAILFKLXOAL-ZDUSSCGKSA-N 2 0 267.417 1.319 10 0 CDAERP CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001265531251 944418002 /nfs/dbraw/zinc/41/80/02/944418002.db2.gz DOCOQGOGTRWFKT-ZNMIVQPWSA-N 2 0 281.444 1.898 10 0 CDAERP CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]CCC1CC1)[NH+](C)C ZINC001277987902 944524629 /nfs/dbraw/zinc/52/46/29/944524629.db2.gz KXFDPPDJYVOICM-GXTWGEPZSA-N 2 0 269.433 1.563 10 0 CDAERP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]CCCF ZINC001265832968 944531417 /nfs/dbraw/zinc/53/14/17/944531417.db2.gz UJDNYQGWTZVZIA-GFCCVEGCSA-N 2 0 273.396 1.172 10 0 CDAERP CCC/C=C\CC[NH2+][C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001265852162 944540589 /nfs/dbraw/zinc/54/05/89/944540589.db2.gz WUOAPBASJSZMJU-IYKSTZQJSA-N 2 0 293.455 1.923 10 0 CDAERP CC[C@H](C)C[NH2+][C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001265863351 944545545 /nfs/dbraw/zinc/54/55/45/944545545.db2.gz AZALKRUTHXZROW-STQMWFEESA-N 2 0 255.406 1.223 10 0 CDAERP CC[N@H+](C)CCCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001265871872 944551578 /nfs/dbraw/zinc/55/15/78/944551578.db2.gz IDOXZYCQOKZKCE-UONOGXRCSA-N 2 0 267.417 1.461 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CCCNC(=O)CCC[NH+](C)C ZINC001266231243 944773510 /nfs/dbraw/zinc/77/35/10/944773510.db2.gz DHQWFFFEKUDJFC-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP C[NH+](C)C1(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)CCCC1 ZINC001362290586 971122953 /nfs/dbraw/zinc/12/29/53/971122953.db2.gz LTWTZSUCUSXHIZ-UHFFFAOYSA-N 2 0 293.455 1.948 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](C[C@H](C)OC)[C@@H]1CC ZINC001479645159 971356365 /nfs/dbraw/zinc/35/63/65/971356365.db2.gz KNMOFJJVKKFGRW-SOUVJXGZSA-N 2 0 299.459 1.332 10 0 CDAERP C[N@H+](CCCNC(=O)C[NH+]1CCCC1)CCC(F)(F)F ZINC001479813355 971434160 /nfs/dbraw/zinc/43/41/60/971434160.db2.gz ZKZBYZDQXQEWBP-UHFFFAOYSA-N 2 0 295.349 1.473 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC001362648308 971491055 /nfs/dbraw/zinc/49/10/55/971491055.db2.gz WFRHIKBYBNFPHY-ILXRZTDVSA-N 2 0 281.444 1.659 10 0 CDAERP CC(C)[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001279024175 948611629 /nfs/dbraw/zinc/61/16/29/948611629.db2.gz GSFVEIMNDDKMQL-STQMWFEESA-N 2 0 255.406 1.173 10 0 CDAERP CCC[N@@H+]1CC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001479955770 971507142 /nfs/dbraw/zinc/50/71/42/971507142.db2.gz FBKZBNIZALGGIC-ZIAGYGMSSA-N 2 0 267.417 1.461 10 0 CDAERP CCN1CC[C@@H]1C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC001362689451 971531962 /nfs/dbraw/zinc/53/19/62/971531962.db2.gz XWXPDHDBUGUMHW-FVQBIDKESA-N 2 0 289.423 1.888 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001480106896 971579388 /nfs/dbraw/zinc/57/93/88/971579388.db2.gz PHCCYFTXZQTUPX-HOTGVXAUSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@H](C(=O)N1CC[NH2+][C@@H](Cc2ccccc2)C1)n1ccnc1 ZINC001362774050 971609028 /nfs/dbraw/zinc/60/90/28/971609028.db2.gz SLBIXOSERSWQKW-ZBFHGGJFSA-N 2 0 298.390 1.487 10 0 CDAERP CS[C@H]1CN(C(=O)C2([NH+](C)C)CCCC2)C[C@H]1[NH+](C)C ZINC001362779829 971613172 /nfs/dbraw/zinc/61/31/72/971613172.db2.gz TXUPFLQJKXDTFE-OLZOCXBDSA-N 2 0 299.484 1.365 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC2CC2)C1 ZINC001480234138 971640212 /nfs/dbraw/zinc/64/02/12/971640212.db2.gz XAIJKJWRINKXTB-OKILXGFUSA-N 2 0 267.417 1.365 10 0 CDAERP COCC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001480350497 971683687 /nfs/dbraw/zinc/68/36/87/971683687.db2.gz VJZIPPDDGFJVIB-HNNXBMFYSA-N 2 0 297.443 1.088 10 0 CDAERP COCCC[NH2+]C[C@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001480368480 971690183 /nfs/dbraw/zinc/69/01/83/971690183.db2.gz YBWAXDNGLHUELV-OAHLLOKOSA-N 2 0 299.459 1.334 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](C/C=C\Cl)C[C@H]21)[NH+](C)C ZINC001480392339 971700400 /nfs/dbraw/zinc/70/04/00/971700400.db2.gz ATDZXSRZKZRJPY-NQJUFHHJSA-N 2 0 285.819 1.126 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)CC[NH+]1CC[C@H](F)C1 ZINC001362964487 971767778 /nfs/dbraw/zinc/76/77/78/971767778.db2.gz VHPWYPIEUWVQTF-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)CC[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001480591380 971797944 /nfs/dbraw/zinc/79/79/44/971797944.db2.gz GZUBIEBHIPIYTF-OLZOCXBDSA-N 2 0 255.406 1.079 10 0 CDAERP CC(C)[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001480709142 971847293 /nfs/dbraw/zinc/84/72/93/971847293.db2.gz JGWUOYXIMYSUFE-UONOGXRCSA-N 2 0 269.433 1.752 10 0 CDAERP COCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001480729758 971854559 /nfs/dbraw/zinc/85/45/59/971854559.db2.gz IALZOGFCSABQAK-HUUCEWRRSA-N 2 0 297.443 1.040 10 0 CDAERP CCCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001480753458 971863682 /nfs/dbraw/zinc/86/36/82/971863682.db2.gz GVPPDQSBDVRATD-STQMWFEESA-N 2 0 255.406 1.365 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001316636900 953372320 /nfs/dbraw/zinc/37/23/20/953372320.db2.gz SDYUBTNQTOBIJR-KKUMJFAQSA-N 2 0 281.444 1.613 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@@](C)(C[NH2+]CCCF)C1 ZINC001324784355 953573079 /nfs/dbraw/zinc/57/30/79/953573079.db2.gz SGKLLSYELPXQKT-AWEZNQCLSA-N 2 0 273.396 1.126 10 0 CDAERP CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](C(C)C)C2)C[C@H](C)[NH2+]1 ZINC001364158689 954266971 /nfs/dbraw/zinc/26/69/71/954266971.db2.gz LKEYKDNRSNNSSF-SOUVJXGZSA-N 2 0 281.444 1.706 10 0 CDAERP CC(C)(C(=O)N1CC[C@H](CC[NH2+]CCF)C1)[NH+]1CCCC1 ZINC001326330938 954326180 /nfs/dbraw/zinc/32/61/80/954326180.db2.gz IBXJUQWJEXIQRC-AWEZNQCLSA-N 2 0 299.434 1.659 10 0 CDAERP C[N@@H+]1C[C@@H]2CN(C(=O)NC[C@@H]3CCCC[NH+]3C)C[C@]2(C)C1 ZINC001364349934 954488883 /nfs/dbraw/zinc/48/88/83/954488883.db2.gz JPDMWMOUHVDFIO-YCPHGPKFSA-N 2 0 294.443 1.064 10 0 CDAERP CC(C)(O)[C@@H](O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC001364363042 954505403 /nfs/dbraw/zinc/50/54/03/954505403.db2.gz POQAPFKQAKBOML-KBPBESRZSA-N 2 0 270.417 1.069 10 0 CDAERP CC(C)=CC[NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001326913425 954617226 /nfs/dbraw/zinc/61/72/26/954617226.db2.gz LHWDURBBGZATHR-OAHLLOKOSA-N 2 0 293.455 1.923 10 0 CDAERP CCN1[C@H](C)C[N@@H+](C[C@@H](C)CN2CCOCC2)C[C@@H]1C ZINC001364442241 954617447 /nfs/dbraw/zinc/61/74/47/954617447.db2.gz DWFYXXWICGLYDQ-HRCADAONSA-N 2 0 283.460 1.369 10 0 CDAERP CC/C=C/CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001326928076 954622789 /nfs/dbraw/zinc/62/27/89/954622789.db2.gz IFSMSBXYCAVEDR-RGDDUWESSA-N 2 0 293.455 1.923 10 0 CDAERP C(C1CC1)[NH+]1CCC([NH2+][C@H]2CCC3(C2)OCCO3)CC1 ZINC001364650443 954955933 /nfs/dbraw/zinc/95/59/33/954955933.db2.gz QFBOWIJQYAHYCJ-HNNXBMFYSA-N 2 0 280.412 1.746 10 0 CDAERP CC[C@H](C)C[NH2+][C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001491618675 955317724 /nfs/dbraw/zinc/31/77/24/955317724.db2.gz SIBZMFUSYABMMG-DZGCQCFKSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCC1CCCC1 ZINC001491676036 955382888 /nfs/dbraw/zinc/38/28/88/955382888.db2.gz YNYXQBNDIBSJQL-ZFWWWQNUSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@@H]([NH2+]CCC1CC1)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001421525984 955392630 /nfs/dbraw/zinc/39/26/30/955392630.db2.gz OTWZUBVZMPKHKE-HIFRSBDPSA-N 2 0 281.444 1.565 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001491761884 955407081 /nfs/dbraw/zinc/40/70/81/955407081.db2.gz HNMCXQSHYXPGCH-ZDUSSCGKSA-N 2 0 255.406 1.319 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](C)CN2CCOCC2)[C@@H](C)C1 ZINC001421577303 955418706 /nfs/dbraw/zinc/41/87/06/955418706.db2.gz FMDXUGKULKYHOT-IKGGRYGDSA-N 2 0 297.487 1.617 10 0 CDAERP CN(CC[NH2+]CCC(C)(C)C)C(=O)CC[NH+](C)C ZINC001493682107 972098892 /nfs/dbraw/zinc/09/88/92/972098892.db2.gz SIFUXEPTUHIJKO-UHFFFAOYSA-N 2 0 257.422 1.422 10 0 CDAERP CC(C)C[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CCC1 ZINC001421752825 955526429 /nfs/dbraw/zinc/52/64/29/955526429.db2.gz WDAHASDPFQHPTF-OAHLLOKOSA-N 2 0 293.455 1.613 10 0 CDAERP CC(C)(C(=O)NCC1([NH2+]CCF)CCC1)[NH+]1CCCC1 ZINC001421756305 955526584 /nfs/dbraw/zinc/52/65/84/955526584.db2.gz DTZBOYLYNMWINN-UHFFFAOYSA-N 2 0 285.407 1.459 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)CC[NH2+]Cc1ncccc1C ZINC001493753414 972109653 /nfs/dbraw/zinc/10/96/53/972109653.db2.gz QDFOTIFLPFTOOE-UHFFFAOYSA-N 2 0 292.427 1.280 10 0 CDAERP CC/C=C\CC[NH2+][C@H](C)[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001329196975 955749637 /nfs/dbraw/zinc/74/96/37/955749637.db2.gz UDARCMOZQDFIDM-JBZXTQMFSA-N 2 0 281.444 1.921 10 0 CDAERP Cc1cnc(C[NH2+]C[C@@H](C)NC(=O)C[NH+]2CCCC2)s1 ZINC001422616517 956193975 /nfs/dbraw/zinc/19/39/75/956193975.db2.gz PPOAZDNGXWGAGW-LLVKDONJSA-N 2 0 296.440 1.142 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C1C[NH+](CC2CCCC2)C1)[NH+](C)C ZINC001422751158 956308378 /nfs/dbraw/zinc/30/83/78/956308378.db2.gz JIPIPRAWGIKLBX-XJKSGUPXSA-N 2 0 295.471 1.953 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1CCCC[N@@H+]1CC ZINC001366205187 956638154 /nfs/dbraw/zinc/63/81/54/956638154.db2.gz VTRBZFKGBOPCDR-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CC1)[NH+](C)C ZINC001366205718 956638663 /nfs/dbraw/zinc/63/86/63/956638663.db2.gz DWOAGQLMDJHYNT-LSDHHAIUSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@@H](C(=O)NCC1([NH2+]CC[C@H](C)F)CC1)[NH+](C)C ZINC001423294820 956710954 /nfs/dbraw/zinc/71/09/54/956710954.db2.gz UFYKPKVPHDDPLT-RYUDHWBXSA-N 2 0 273.396 1.313 10 0 CDAERP C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CC1CCC1 ZINC001366291460 956717855 /nfs/dbraw/zinc/71/78/55/956717855.db2.gz QBUCFYJLTOYTQD-HIFRSBDPSA-N 2 0 281.444 1.755 10 0 CDAERP Cc1ncc(C[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C)o1 ZINC001366347902 956762672 /nfs/dbraw/zinc/76/26/72/956762672.db2.gz SGDQIKMTXVGHCN-RISCZKNCSA-N 2 0 296.415 1.164 10 0 CDAERP Cc1nc(C[NH2+][C@@H](C)CCNC(=O)CC[NH+](C)C)oc1C ZINC001366487617 956867640 /nfs/dbraw/zinc/86/76/40/956867640.db2.gz NPAAIWCDRNXNHQ-NSHDSACASA-N 2 0 296.415 1.228 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001423575176 956867818 /nfs/dbraw/zinc/86/78/18/956867818.db2.gz NGVWSUDTDHGLMB-DZGCQCFKSA-N 2 0 299.434 1.657 10 0 CDAERP C[C@H]1C[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CCCF ZINC001424554507 957271470 /nfs/dbraw/zinc/27/14/70/957271470.db2.gz YEMVWYZNAXSEAP-STQMWFEESA-N 2 0 273.396 1.267 10 0 CDAERP CCC[N@H+](C)CC(=O)NCC1C[NH+](CCC(C)(C)C)C1 ZINC001366985451 957318069 /nfs/dbraw/zinc/31/80/69/957318069.db2.gz NTXFSVHLRKTNJA-UHFFFAOYSA-N 2 0 283.460 1.812 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001317193465 957335088 /nfs/dbraw/zinc/33/50/88/957335088.db2.gz LVVLCTRKFMHJOQ-KBPBESRZSA-N 2 0 269.433 1.707 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCCCCF ZINC001317245607 957375327 /nfs/dbraw/zinc/37/53/27/957375327.db2.gz IERCOVADIYKBKF-KGLIPLIRSA-N 2 0 287.423 1.705 10 0 CDAERP CC(C)CCC[NH2+][C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001317262210 957387130 /nfs/dbraw/zinc/38/71/30/957387130.db2.gz BEKCQXFFRVOPMU-LSDHHAIUSA-N 2 0 283.460 1.859 10 0 CDAERP CCC(CC)C[NH2+][C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001317287808 957404389 /nfs/dbraw/zinc/40/43/89/957404389.db2.gz DDTIQBSNZZLLAY-CYBMUJFWSA-N 2 0 269.433 1.613 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001332028460 957405894 /nfs/dbraw/zinc/40/58/94/957405894.db2.gz OESVWWBYDVAWDC-KBPBESRZSA-N 2 0 267.417 1.483 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC1CC1 ZINC001424935825 957414796 /nfs/dbraw/zinc/41/47/96/957414796.db2.gz GHVBXDOSXBDXQN-ZFWWWQNUSA-N 2 0 281.444 1.706 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCOC2CCC2)C1 ZINC001317308686 957416693 /nfs/dbraw/zinc/41/66/93/957416693.db2.gz AJZGBOCHSOOOPN-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001317344876 957432114 /nfs/dbraw/zinc/43/21/14/957432114.db2.gz VQCVHQFUJOVINY-KBPBESRZSA-N 2 0 285.407 1.268 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CCF ZINC001317429069 957466680 /nfs/dbraw/zinc/46/66/80/957466680.db2.gz FSDKFWBENXVHJM-CABCVRRESA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)=CC[N@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001317458184 957491242 /nfs/dbraw/zinc/49/12/42/957491242.db2.gz DNVMATOYHKYYIA-UHFFFAOYSA-N 2 0 281.444 1.875 10 0 CDAERP CCCCCC[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001317470834 957499446 /nfs/dbraw/zinc/49/94/46/957499446.db2.gz YEYPVNUIMNPZAJ-AWEZNQCLSA-N 2 0 269.433 1.566 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1[C@H]2C[N@@H+](CCC3CC3)C[C@H]21 ZINC001425329881 957516465 /nfs/dbraw/zinc/51/64/65/957516465.db2.gz UFKWBMTWJCZQAX-QKDCVEJESA-N 2 0 279.428 1.032 10 0 CDAERP CC(C)[C@@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCF ZINC001425455893 957536593 /nfs/dbraw/zinc/53/65/93/957536593.db2.gz YWSHTVVHHAEFFP-ZIAGYGMSSA-N 2 0 287.423 1.561 10 0 CDAERP CC[N@@H+]1CCC[C@H](C[NH2+]C2[C@H](C)COC[C@H]2C)C1 ZINC001332390978 957543850 /nfs/dbraw/zinc/54/38/50/957543850.db2.gz QVHWWFSFOZDVIJ-MGPQQGTHSA-N 2 0 254.418 1.979 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)[NH2+]C(C)C ZINC001367113509 957684809 /nfs/dbraw/zinc/68/48/09/957684809.db2.gz JEPHSPUPEXASRU-CABCVRRESA-N 2 0 283.460 2.000 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001367449034 958020459 /nfs/dbraw/zinc/02/04/59/958020459.db2.gz PJYTXFPELSZJHR-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP CC[NH2+][C@H](CC)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001318527097 958158367 /nfs/dbraw/zinc/15/83/67/958158367.db2.gz LIGWEOWFXIOUKO-FRRDWIJNSA-N 2 0 255.406 1.221 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H](CC)CNC(=O)C[NH+]1CCCC1 ZINC001318604445 958195865 /nfs/dbraw/zinc/19/58/65/958195865.db2.gz UASFXDBLSCHUBJ-ZIAGYGMSSA-N 2 0 269.433 1.613 10 0 CDAERP C[NH+](C)CCC(=O)NCC1=CC[N@H+](CC2CCCC2)CC1 ZINC001333392352 958306529 /nfs/dbraw/zinc/30/65/29/958306529.db2.gz VJWQZAWIROHMMT-UHFFFAOYSA-N 2 0 293.455 1.877 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CCC2CC2)C1 ZINC001319129843 958388703 /nfs/dbraw/zinc/38/87/03/958388703.db2.gz KGRKPBYVEJHDEB-LSDHHAIUSA-N 2 0 279.428 1.319 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001367963564 958520040 /nfs/dbraw/zinc/52/00/40/958520040.db2.gz TZHPANCYAZMJDQ-GDBMZVCRSA-N 2 0 295.471 1.955 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH2+]C/C=C/Cl)CC2)C1 ZINC001368028434 958590764 /nfs/dbraw/zinc/59/07/64/958590764.db2.gz NDRRSOUTBJLGFU-RDNKVPPGSA-N 2 0 285.819 1.319 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]Cc2ccccc2)CC1 ZINC001368040907 958601397 /nfs/dbraw/zinc/60/13/97/958601397.db2.gz GXVGTYYBXQMROJ-UHFFFAOYSA-N 2 0 289.423 1.765 10 0 CDAERP C[C@@H](C[NH2+]CCC1CC1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001319525219 958611164 /nfs/dbraw/zinc/61/11/64/958611164.db2.gz MSSBLIJYBCVOIQ-ZDUSSCGKSA-N 2 0 281.444 1.565 10 0 CDAERP CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001494987047 972363729 /nfs/dbraw/zinc/36/37/29/972363729.db2.gz UMRRIUSCJNPZCK-STQMWFEESA-N 2 0 255.406 1.364 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CC[C@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001368163237 958675751 /nfs/dbraw/zinc/67/57/51/958675751.db2.gz RAIFPYZSVHMQNZ-HIFRSBDPSA-N 2 0 299.434 1.657 10 0 CDAERP CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001319870742 958761257 /nfs/dbraw/zinc/76/12/57/958761257.db2.gz UKCHKSLGPLFWSD-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC1CC(F)(F)C1 ZINC001371139487 972382871 /nfs/dbraw/zinc/38/28/71/972382871.db2.gz MRFUSOWJZJSKCD-PWSUYJOCSA-N 2 0 289.370 1.220 10 0 CDAERP O=C(NCC1([NH2+]C/C=C/Cl)CCC1)C12CC[NH+](CC1)C2 ZINC001368486289 958892663 /nfs/dbraw/zinc/89/26/63/958892663.db2.gz KYMTVVZQBNHGCL-FARCUNLSSA-N 2 0 297.830 1.463 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CCO1 ZINC001368506439 958905249 /nfs/dbraw/zinc/90/52/49/958905249.db2.gz BYGDSCTZSUUXCM-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP Cc1nocc1C[N@@H+](C)CCCN(C)C(=O)CC[NH+](C)C ZINC001368552627 958961339 /nfs/dbraw/zinc/96/13/39/958961339.db2.gz HLLIZXGJLZNPKT-UHFFFAOYSA-N 2 0 296.415 1.215 10 0 CDAERP CCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H]1C ZINC001368776894 959119685 /nfs/dbraw/zinc/11/96/85/959119685.db2.gz LUJOWGXITSJATG-ILXRZTDVSA-N 2 0 283.460 1.952 10 0 CDAERP C[C@@H](NC(=O)CC1CC[NH+](C)CC1)[C@H](C)[NH2+]CCF ZINC001368881992 959222076 /nfs/dbraw/zinc/22/20/76/959222076.db2.gz QNLSAEFHPPKSIL-NWDGAFQWSA-N 2 0 273.396 1.171 10 0 CDAERP Cc1nocc1C[NH2+][C@H](C)[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001368894435 959230854 /nfs/dbraw/zinc/23/08/54/959230854.db2.gz NNBXMFTTZIDEDX-NEPJUHHUSA-N 2 0 296.415 1.306 10 0 CDAERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]Cc1ccsc1 ZINC001368909424 959244197 /nfs/dbraw/zinc/24/41/97/959244197.db2.gz JOWWSLCYZJAEGF-QWHCGFSZSA-N 2 0 295.452 1.827 10 0 CDAERP CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001320643089 959289090 /nfs/dbraw/zinc/28/90/90/959289090.db2.gz CPCFRQTXLIQKAM-QWHCGFSZSA-N 2 0 255.406 1.365 10 0 CDAERP CC[NH2+]CCN(CC)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001320928652 959464171 /nfs/dbraw/zinc/46/41/71/959464171.db2.gz LDXYUKKRUAECDZ-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CO[C@@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001369161647 959491580 /nfs/dbraw/zinc/49/15/80/959491580.db2.gz FAYJBDRUKRBSNB-AJNGGQMLSA-N 2 0 299.459 1.092 10 0 CDAERP C[C@H](C(=O)NC/C=C/C[NH2+]CC1CC1)[NH+]1CCCCCC1 ZINC001321282154 959695726 /nfs/dbraw/zinc/69/57/26/959695726.db2.gz VHFQAIIFQNPTIZ-MBVDDHJVSA-N 2 0 293.455 1.923 10 0 CDAERP CC(C)CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001369579074 959773378 /nfs/dbraw/zinc/77/33/78/959773378.db2.gz DLNYFGDWBURLKS-PRLABOORSA-N 2 0 295.471 1.952 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@](C)(C[NH2+]CCF)C1CC1 ZINC001495259392 972458890 /nfs/dbraw/zinc/45/88/90/972458890.db2.gz PSWOJDJZEJCRCT-ZBFHGGJFSA-N 2 0 299.434 1.705 10 0 CDAERP CC(C)[NH2+]C[C@@](C)(NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001495281283 972463976 /nfs/dbraw/zinc/46/39/76/972463976.db2.gz SNFHEAWNPOTALC-GRDNDAEWSA-N 2 0 295.471 2.000 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001321723135 959922450 /nfs/dbraw/zinc/92/24/50/959922450.db2.gz MCGVNEMPJYGWQV-ZBFHGGJFSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CC12CC[NH+](CCCF)CC2)[NH+](C)C ZINC001370078025 959982485 /nfs/dbraw/zinc/98/24/85/959982485.db2.gz JLQYRYWJPIHERZ-KGLIPLIRSA-N 2 0 299.434 1.657 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]([NH2+]CCC2CC2)C1 ZINC001370363446 960070498 /nfs/dbraw/zinc/07/04/98/960070498.db2.gz NPZTVILZNVIRHD-LSDHHAIUSA-N 2 0 299.434 1.657 10 0 CDAERP Cc1ncsc1CC[NH2+][C@@H](C)CNC(=O)CC[NH+](C)C ZINC001371345318 972481364 /nfs/dbraw/zinc/48/13/64/972481364.db2.gz JDXIZOOXQICPQR-NSHDSACASA-N 2 0 298.456 1.040 10 0 CDAERP C[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]C/C=C\Cl)C2)CC1 ZINC001370662622 960178779 /nfs/dbraw/zinc/17/87/79/960178779.db2.gz DSXRJXPZHWBAQD-PWXZOSLHSA-N 2 0 285.819 1.318 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001371477006 972526111 /nfs/dbraw/zinc/52/61/11/972526111.db2.gz WCLPBZQTCNTOPT-LSDHHAIUSA-N 2 0 283.460 1.857 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)N1CCN2C[C@@H](F)C[C@H]2C1 ZINC001434012295 960878217 /nfs/dbraw/zinc/87/82/17/960878217.db2.gz KLJWUTCROWQDAM-AVGNSLFASA-N 2 0 283.391 1.114 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@H]([NH2+]C[C@H](CC)OC)C1)[NH+](C)C ZINC001418949369 961186622 /nfs/dbraw/zinc/18/66/22/961186622.db2.gz ZUYZWPLGFKVUTG-SOUVJXGZSA-N 2 0 299.459 1.332 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CCC[N@H+](CCC[C@H](C)O)C1)[NH+](C)C ZINC001418957065 961194612 /nfs/dbraw/zinc/19/46/12/961194612.db2.gz BRZSPMXUZQJYAY-SOUVJXGZSA-N 2 0 299.459 1.068 10 0 CDAERP C[N@@H+]1C[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)C(C)(C)C1 ZINC001434379427 961242308 /nfs/dbraw/zinc/24/23/08/961242308.db2.gz BWLIJHFGCPBHSQ-IHRRRGAJSA-N 2 0 279.428 1.460 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC1C[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC001419008217 961257825 /nfs/dbraw/zinc/25/78/25/961257825.db2.gz LYIXZSFPSGEAHZ-KFWWJZLASA-N 2 0 293.455 1.563 10 0 CDAERP CN(C)Cc1ccc(C(=O)NCC[N@@H+]2CCC(C)(C)C2)o1 ZINC001434411375 961326299 /nfs/dbraw/zinc/32/62/99/961326299.db2.gz LRFWAQDZOXPJOG-UHFFFAOYSA-N 2 0 293.411 1.803 10 0 CDAERP C[NH+]1CCC2(CCC[N@H+](CCNC(=O)C3CC3)C2)CC1 ZINC001434468067 961457115 /nfs/dbraw/zinc/45/71/15/961457115.db2.gz MYHRVEQWFKYAMS-UHFFFAOYSA-N 2 0 279.428 1.320 10 0 CDAERP CC[C@@H](F)C[NH2+][C@@H](CC)CNC(=O)C1([NH+](C)C)CCC1 ZINC001419192895 961493187 /nfs/dbraw/zinc/49/31/87/961493187.db2.gz RGYUCTZMACIXHS-OLZOCXBDSA-N 2 0 287.423 1.703 10 0 CDAERP CC(C)[NH2+]C[C@](C)(NC(=O)[C@@]12CC[N@H+](C1)CCC2)C1CC1 ZINC001419358072 961628400 /nfs/dbraw/zinc/62/84/00/961628400.db2.gz HEJBHQIENJXWPW-IRXDYDNUSA-N 2 0 293.455 1.755 10 0 CDAERP CC(C)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001419785197 962105395 /nfs/dbraw/zinc/10/53/95/962105395.db2.gz AXENCDFQHHMJMC-HUUCEWRRSA-N 2 0 283.460 1.715 10 0 CDAERP CC(C)C[C@H](C[NH2+]CC1CC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001419802854 962116995 /nfs/dbraw/zinc/11/69/95/962116995.db2.gz ZDIPOLPQYBVFIK-FVQBIDKESA-N 2 0 295.471 1.857 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC[C@H](C)F)C1)[NH+](C)C ZINC001436952493 962504661 /nfs/dbraw/zinc/50/46/61/962504661.db2.gz JIEQNVQTMVWJPR-FQUUOJAGSA-N 2 0 287.423 1.558 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)CC1CCCCC1 ZINC001420359923 962791015 /nfs/dbraw/zinc/79/10/15/962791015.db2.gz XNVZCPWAHOQBTM-UHFFFAOYSA-N 2 0 283.460 1.955 10 0 CDAERP CC[NH2+][C@H]1CCC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001437326860 962804672 /nfs/dbraw/zinc/80/46/72/962804672.db2.gz IVSNFZIACKFDFM-KBPBESRZSA-N 2 0 297.443 1.134 10 0 CDAERP C[N@H+](CC(=O)NC1C[NH+](CC2CCCC2)C1)CC(C)(C)C ZINC001438073161 963307440 /nfs/dbraw/zinc/30/74/40/963307440.db2.gz SVILRGLGXTVCKH-UHFFFAOYSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1CC1CCCC1 ZINC001420892942 963335494 /nfs/dbraw/zinc/33/54/94/963335494.db2.gz LBWCRCCSGIJBEF-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CCCC[N@@H+]1CC[C@H](CCNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001420895078 963337928 /nfs/dbraw/zinc/33/79/28/963337928.db2.gz SBSSJQQRHUNHRC-JKSUJKDBSA-N 2 0 295.471 1.957 10 0 CDAERP O=C(NCC1([NH2+]C/C=C\Cl)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001420943233 963375448 /nfs/dbraw/zinc/37/54/48/963375448.db2.gz VGQSBZZFXWQDKP-WVCAGCIPSA-N 2 0 297.830 1.319 10 0 CDAERP C[NH+](C)CCC(=O)NCC1C[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC001421172654 963483312 /nfs/dbraw/zinc/48/33/12/963483312.db2.gz NZUBKNGEZWTHGN-BMFZPTHFSA-N 2 0 293.455 1.422 10 0 CDAERP CC[NH+]1CCC(C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001421264273 963524462 /nfs/dbraw/zinc/52/44/62/963524462.db2.gz FKPHDEDSLHQPGG-CHWSQXEVSA-N 2 0 290.411 1.751 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001438688566 963527969 /nfs/dbraw/zinc/52/79/69/963527969.db2.gz JBLIYCPEIJSZDY-JSGCOSHPSA-N 2 0 287.423 1.513 10 0 CDAERP CC[NH+]1CCC(C)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001421274146 963528250 /nfs/dbraw/zinc/52/82/50/963528250.db2.gz OCQGAWVRHPFDLA-AWEZNQCLSA-N 2 0 281.444 1.566 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]C(C)C)C(C)C ZINC001438796048 963555744 /nfs/dbraw/zinc/55/57/44/963555744.db2.gz DRGWWXFLOATGJA-GJZGRUSLSA-N 2 0 283.460 2.000 10 0 CDAERP CCC[N@@H+]1CC[C@H](N(CC)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001421346964 963563666 /nfs/dbraw/zinc/56/36/66/963563666.db2.gz DIYQJUPUJGYPHW-GJZGRUSLSA-N 2 0 281.444 1.661 10 0 CDAERP CC1CC(C[N@@H+]2CC[C@H]2CNC(=O)C[NH+]2CCCC2)C1 ZINC001439572097 963805689 /nfs/dbraw/zinc/80/56/89/963805689.db2.gz QHQGMKIOZWHZKI-NRXISQOPSA-N 2 0 279.428 1.319 10 0 CDAERP O=C(NCC1([NH2+]CCC2CC2)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001439602572 963818590 /nfs/dbraw/zinc/81/85/90/963818590.db2.gz BUMBPZWUTKWSPS-HNNXBMFYSA-N 2 0 291.439 1.367 10 0 CDAERP CCC[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCOCC1 ZINC001439957667 963905107 /nfs/dbraw/zinc/90/51/07/963905107.db2.gz QDBBWONPZSNPTM-AWEZNQCLSA-N 2 0 299.459 1.238 10 0 CDAERP CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001440280349 963969256 /nfs/dbraw/zinc/96/92/56/963969256.db2.gz XIFBFMVTTKJYND-GJZGRUSLSA-N 2 0 281.444 1.659 10 0 CDAERP CC(C)CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001440357187 963996435 /nfs/dbraw/zinc/99/64/35/963996435.db2.gz YBEFPNUDETUHMB-AWEZNQCLSA-N 2 0 281.444 1.613 10 0 CDAERP COC[C@H](C)[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)CC1 ZINC001440399219 964018855 /nfs/dbraw/zinc/01/88/55/964018855.db2.gz QKYVOEOWZDTKCW-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP CC[C@H](C[NH+]1CC([C@H](C)NC(=O)C[N@H+](C)C(C)C)C1)OC ZINC001441205768 964419387 /nfs/dbraw/zinc/41/93/87/964419387.db2.gz JPYJTKVEYQSNRQ-DZGCQCFKSA-N 2 0 299.459 1.188 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001441363581 964475462 /nfs/dbraw/zinc/47/54/62/964475462.db2.gz JYDLYNJIPTZWBR-KLHDSHLOSA-N 2 0 295.471 1.859 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+]Cc1ocnc1C ZINC001441630154 964624176 /nfs/dbraw/zinc/62/41/76/964624176.db2.gz ZAIARUNKKSARMU-GFCCVEGCSA-N 2 0 296.415 1.261 10 0 CDAERP CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H](CC)[NH+](C)C)CCC[C@H]12 ZINC001441858693 964753284 /nfs/dbraw/zinc/75/32/84/964753284.db2.gz DSAKSDXTOXCPJV-IJEWVQPXSA-N 2 0 281.444 1.850 10 0 CDAERP CCC[NH2+]C1CC(N(C)C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001442234807 964951461 /nfs/dbraw/zinc/95/14/61/964951461.db2.gz ZUKSFAVBQZXRKI-JXQTWKCFSA-N 2 0 287.423 1.655 10 0 CDAERP Cc1ncoc1C[NH2+][C@H](C)CCNC(=O)C[NH+]1CCCC1 ZINC001442336894 964991092 /nfs/dbraw/zinc/99/10/92/964991092.db2.gz HXBBNQPYWHJBRD-GFCCVEGCSA-N 2 0 294.399 1.063 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001442554609 965113398 /nfs/dbraw/zinc/11/33/98/965113398.db2.gz CJYZGKUITSEFKM-CYBMUJFWSA-N 2 0 287.423 1.657 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CC[C@@H](C)F ZINC001442639572 965155819 /nfs/dbraw/zinc/15/58/19/965155819.db2.gz OBACEXWSNSFMME-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[N@H+](CC1CC1)C1CC1 ZINC001443062087 965338091 /nfs/dbraw/zinc/33/80/91/965338091.db2.gz PLKROAXEVVGXSY-ZIAGYGMSSA-N 2 0 293.455 1.850 10 0 CDAERP CC[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]Cc1cc(C)no1 ZINC001444043371 965722631 /nfs/dbraw/zinc/72/26/31/965722631.db2.gz RUIJOZYTBHGOEP-CYBMUJFWSA-N 2 0 296.415 1.308 10 0 CDAERP CC(C)(C)[NH2+]CC(=O)NCc1ccc2c[nH+]cn2c1 ZINC001348047654 965801477 /nfs/dbraw/zinc/80/14/77/965801477.db2.gz RKLRGJYPEDPWRZ-UHFFFAOYSA-N 2 0 260.341 1.339 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]CC2CC2)CCCC1 ZINC001444539912 965864758 /nfs/dbraw/zinc/86/47/58/965864758.db2.gz XMCIAZXOZPIUEP-UHFFFAOYSA-N 2 0 281.444 1.755 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC2(C[NH+](CC3CCC3)C2)CC1 ZINC001444566004 965877432 /nfs/dbraw/zinc/87/74/32/965877432.db2.gz YNOBSQLLAVEIHC-UHFFFAOYSA-N 2 0 293.455 1.663 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@@H](C)N(C)C(=O)CCN1CCOCC1 ZINC001444681389 965921103 /nfs/dbraw/zinc/92/11/03/965921103.db2.gz FVGXJVHTDYFFGL-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[NH2+]CC1CC1 ZINC001444874381 965987561 /nfs/dbraw/zinc/98/75/61/965987561.db2.gz OKWSFMKGJRCDTD-CVEARBPZSA-N 2 0 295.471 2.000 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001446185842 966479673 /nfs/dbraw/zinc/47/96/73/966479673.db2.gz WVUVAIPGQLYFEB-ZIAGYGMSSA-N 2 0 299.434 1.847 10 0 CDAERP CC[C@H](C[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+](C)C(C)C)OC ZINC001446461206 966549727 /nfs/dbraw/zinc/54/97/27/966549727.db2.gz MJZLQTMDSGHKEC-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP C[C@@]1(CNC(=O)C[NH+]2CCCC2)CCC[N@H+](CCF)C1 ZINC001446687887 966616591 /nfs/dbraw/zinc/61/65/91/966616591.db2.gz UUUWIQMOWUTYMZ-HNNXBMFYSA-N 2 0 285.407 1.270 10 0 CDAERP CO[C@H](C)C[N@@H+]1CCCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001448272511 967056710 /nfs/dbraw/zinc/05/67/10/967056710.db2.gz XOHMGOGQOQVUAZ-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)CC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001448381735 967089627 /nfs/dbraw/zinc/08/96/27/967089627.db2.gz CTEDIFWUWQTJIG-AWEZNQCLSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001539828474 967111068 /nfs/dbraw/zinc/11/10/68/967111068.db2.gz LJINVSJSLADIGU-SOUVJXGZSA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@@H](C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001448442358 967113728 /nfs/dbraw/zinc/11/37/28/967113728.db2.gz QWYNQANIIFRAQE-FPCVCCKLSA-N 2 0 295.471 1.668 10 0 CDAERP C[C@H](F)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001448452411 967115083 /nfs/dbraw/zinc/11/50/83/967115083.db2.gz SVPVFEKMMYSZGW-ZQDZILKHSA-N 2 0 297.418 1.124 10 0 CDAERP CC[C@H](F)C[NH2+][C@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001448765889 967245508 /nfs/dbraw/zinc/24/55/08/967245508.db2.gz DOBKFJRMLCHLCZ-OLZOCXBDSA-N 2 0 285.407 1.267 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC1CC(C)(C)C1 ZINC001480436207 967643571 /nfs/dbraw/zinc/64/35/71/967643571.db2.gz PFAKZKVURJQTJL-OCCSQVGLSA-N 2 0 281.444 1.611 10 0 CDAERP C[NH+](C)[C@@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1(C)C ZINC001452124787 968068799 /nfs/dbraw/zinc/06/87/99/968068799.db2.gz FTZSUUZSRYOJPL-LJISPDSOSA-N 2 0 295.471 1.952 10 0 CDAERP CC[C@@H](C(=O)NC[C@H](C)[NH2+]C(C)C)[NH+](CC)CC ZINC001480532845 968125734 /nfs/dbraw/zinc/12/57/34/968125734.db2.gz IQERUSRKWUZCAT-STQMWFEESA-N 2 0 257.422 1.610 10 0 CDAERP Cn1c(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cnc1Cl ZINC000848562343 969173915 /nfs/dbraw/zinc/17/39/15/969173915.db2.gz HZUZYKNXLZKCNX-AOOOYVTPSA-N 2 0 256.781 1.503 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)[C@@H]2CCC[C@H]21 ZINC000848573539 969181291 /nfs/dbraw/zinc/18/12/91/969181291.db2.gz IGKDRSRCAUEFHM-CBBWQLFWSA-N 2 0 293.411 1.432 10 0 CDAERP OC1(C[NH+]2CCCCC2)CC[NH+]([C@H]2CCOC2)CC1 ZINC001460945770 969571600 /nfs/dbraw/zinc/57/16/00/969571600.db2.gz OYZNSYBBYOUDQO-AWEZNQCLSA-N 2 0 268.401 1.088 10 0 CDAERP [NH3+]CCCCCCn1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000849136358 969907187 /nfs/dbraw/zinc/90/71/87/969907187.db2.gz FTILXQGNBWIFTC-GFCCVEGCSA-N 2 0 251.378 1.264 10 0 CDAERP C[N@H+](CCNC1=[NH+]CCCCN1)C1CCCCC1 ZINC000849215620 969915846 /nfs/dbraw/zinc/91/58/46/969915846.db2.gz UPLWETFREXIOLC-UHFFFAOYSA-N 2 0 252.406 1.580 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC(C)C ZINC001496079547 969948474 /nfs/dbraw/zinc/94/84/74/969948474.db2.gz HOXOUQCHQAUQRJ-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC001467317386 970046582 /nfs/dbraw/zinc/04/65/82/970046582.db2.gz BNRQRGNXNOCZKE-YNEHKIRRSA-N 2 0 255.406 1.173 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC001469334538 970241974 /nfs/dbraw/zinc/24/19/74/970241974.db2.gz VCKBMQVUIYDOHD-RBSFLKMASA-N 2 0 295.471 1.952 10 0 CDAERP Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001361868760 970624554 /nfs/dbraw/zinc/62/45/54/970624554.db2.gz HYIYNTUDPWTVNT-MGPQQGTHSA-N 2 0 288.395 1.220 10 0 CDAERP CCC[NH2+][C@@H](C)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001372992900 973220828 /nfs/dbraw/zinc/22/08/28/973220828.db2.gz HRGFEXWJAVCISP-CABCVRRESA-N 2 0 295.471 1.955 10 0 CDAERP CC[NH2+]CC[C@@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001497238596 973255655 /nfs/dbraw/zinc/25/56/55/973255655.db2.gz QDZWXNDOGSWNEO-CQSZACIVSA-N 2 0 291.439 1.909 10 0 CDAERP CCC[N@H+](CCO)[C@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001417832114 973407424 /nfs/dbraw/zinc/40/74/24/973407424.db2.gz REMDZHSNPVIJRI-HNNXBMFYSA-N 2 0 299.459 1.024 10 0 CDAERP CC(C)[NH2+]C/C=C/CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001497603421 973429747 /nfs/dbraw/zinc/42/97/47/973429747.db2.gz XETDNAXIXXLHBL-NNTXTVRGSA-N 2 0 267.417 1.531 10 0 CDAERP O=C(NC/C=C\C[NH2+]CCF)C12CCC[NH+](CCC1)C2 ZINC001497609101 973431689 /nfs/dbraw/zinc/43/16/89/973431689.db2.gz BHDPUKALSBJLKV-UPHRSURJSA-N 2 0 283.391 1.094 10 0 CDAERP CCC(CC)C[NH+]1CC(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001373549042 973487367 /nfs/dbraw/zinc/48/73/67/973487367.db2.gz CYIBREIYDLJPBO-OAHLLOKOSA-N 2 0 295.471 1.812 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001373640076 973537968 /nfs/dbraw/zinc/53/79/68/973537968.db2.gz QBQXEFVLESUAQE-MRXNPFEDSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)COC)C1 ZINC001418115048 973595237 /nfs/dbraw/zinc/59/52/37/973595237.db2.gz YEFLPGCUIAUITK-BYNSBNAKSA-N 2 0 297.443 1.133 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC1CCCC1 ZINC001373828350 973658905 /nfs/dbraw/zinc/65/89/05/973658905.db2.gz CNQARTDXECTQAU-LSDHHAIUSA-N 2 0 281.444 1.613 10 0 CDAERP Cc1nocc1C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001418242793 973691071 /nfs/dbraw/zinc/69/10/71/973691071.db2.gz HPHXKUXLXUINDD-RISCZKNCSA-N 2 0 294.399 1.062 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)CC[NH+]2CC[C@H](F)C2)C1 ZINC001418426125 973819780 /nfs/dbraw/zinc/81/97/80/973819780.db2.gz FNLUNOCDOHSFMC-KBPBESRZSA-N 2 0 299.434 1.657 10 0 CDAERP CC[C@@H]1CN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C[C@H](C)[NH2+]1 ZINC001418562592 973971335 /nfs/dbraw/zinc/97/13/35/973971335.db2.gz WWQPNTNLMZMVLN-XQLPTFJDSA-N 2 0 281.444 1.706 10 0 CDAERP CN(CCC[NH2+]Cc1cncc(F)c1)C(=O)CC[NH+](C)C ZINC001498607425 973997680 /nfs/dbraw/zinc/99/76/80/973997680.db2.gz XIQKXTOLMIBSHR-UHFFFAOYSA-N 2 0 296.390 1.111 10 0 CDAERP CC(C)C[NH2+]CCCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001498658051 974014012 /nfs/dbraw/zinc/01/40/12/974014012.db2.gz LYNLKULNZCXZAZ-GASCZTMLSA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]CCCOC ZINC001498897612 974098345 /nfs/dbraw/zinc/09/83/45/974098345.db2.gz HJFMBGXPDHMUOK-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP C[C@H](C[NH2+]Cc1cc(F)ccc1F)NC(=O)CC[NH+](C)C ZINC001374812230 974134404 /nfs/dbraw/zinc/13/44/04/974134404.db2.gz WMCUOPJUEPBDRF-LLVKDONJSA-N 2 0 299.365 1.511 10 0 CDAERP CC1CC(C[NH+]2CC(N(C)C(=O)CC[NH+](C)C)C2)C1 ZINC001499742091 974296519 /nfs/dbraw/zinc/29/65/19/974296519.db2.gz JMDUFVOVICXFSR-UHFFFAOYSA-N 2 0 267.417 1.127 10 0 CDAERP CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]CC1CCC1 ZINC001375279953 974313584 /nfs/dbraw/zinc/31/35/84/974313584.db2.gz DNMHIYUAOSGYFJ-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]Cc2cccnc2)CC1 ZINC001375557983 974422257 /nfs/dbraw/zinc/42/22/57/974422257.db2.gz ZNJIOEKIQDYZKG-UHFFFAOYSA-N 2 0 290.411 1.160 10 0 CDAERP CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2CC)CCOCC1 ZINC001375981515 974528677 /nfs/dbraw/zinc/52/86/77/974528677.db2.gz GVDYZCNVDFBYAT-CQSZACIVSA-N 2 0 297.443 1.136 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001376376481 974645718 /nfs/dbraw/zinc/64/57/18/974645718.db2.gz IHZQFMBWQVKFHQ-MUJYYYPQSA-N 2 0 293.455 1.707 10 0 CDAERP CC(C)CC[N@@H+]1CCC[C@@H](CNC(=O)Cc2ncc[nH]2)C1 ZINC001376531901 974681775 /nfs/dbraw/zinc/68/17/75/974681775.db2.gz PVQYRFGBXMKZHN-AWEZNQCLSA-N 2 0 292.427 1.827 10 0 CDAERP CCC(CC)C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001376732738 974748610 /nfs/dbraw/zinc/74/86/10/974748610.db2.gz PIJJVDKOBDDQBW-UMVBOHGHSA-N 2 0 283.460 1.857 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001376915461 974803145 /nfs/dbraw/zinc/80/31/45/974803145.db2.gz RVQRFEJBYQZYDH-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH2+]CCC(C)(C)C)C2)C1 ZINC001376913399 974815586 /nfs/dbraw/zinc/81/55/86/974815586.db2.gz ZAQPJELOGHTHPM-GJZGRUSLSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)CCC1CC1 ZINC001377361531 974989592 /nfs/dbraw/zinc/98/95/92/974989592.db2.gz OLJFAHMTAXAFAO-UHFFFAOYSA-N 2 0 279.428 1.320 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]1CC[N@H+](CC2CCCC2)C1)[NH+](C)C ZINC001377472938 975041275 /nfs/dbraw/zinc/04/12/75/975041275.db2.gz YIHZLCKUAWFQQM-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CCC(F)(F)F ZINC001505993086 975064502 /nfs/dbraw/zinc/06/45/02/975064502.db2.gz NXDOKHJAKGDYBD-SNVBAGLBSA-N 2 0 283.338 1.327 10 0 CDAERP C[N@H+](CCC1CC1)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001377625648 975091231 /nfs/dbraw/zinc/09/12/31/975091231.db2.gz NDPQMNOMKJACKQ-HOTGVXAUSA-N 2 0 293.455 1.804 10 0 CDAERP CO[C@H](C)C[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)C(C)C ZINC001377669947 975106757 /nfs/dbraw/zinc/10/67/57/975106757.db2.gz DHFCLOHLPSPHJP-HUUCEWRRSA-N 2 0 299.459 1.284 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001377705825 975117306 /nfs/dbraw/zinc/11/73/06/975117306.db2.gz HQTGCIVVJGPFJU-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@H](CCC[NH2+]CC1CC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001506946349 975268676 /nfs/dbraw/zinc/26/86/76/975268676.db2.gz KQJIXXAGRYDGQQ-HIFRSBDPSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)C[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001404405114 975383730 /nfs/dbraw/zinc/38/37/30/975383730.db2.gz NHFZXYKTFDOYIE-HOCLYGCPSA-N 2 0 295.471 1.811 10 0 CDAERP CC(C)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]1C ZINC001507298119 975403651 /nfs/dbraw/zinc/40/36/51/975403651.db2.gz PMSVZFKHPUQHNQ-ZIAGYGMSSA-N 2 0 269.433 1.562 10 0 CDAERP CCCC[N@@H+]1CC[C@H](CCNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001404504814 975410417 /nfs/dbraw/zinc/41/04/17/975410417.db2.gz BXBYHPDKJRMIPX-CVEARBPZSA-N 2 0 295.471 1.957 10 0 CDAERP COCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001507324663 975416219 /nfs/dbraw/zinc/41/62/19/975416219.db2.gz CIMUQTFYVCJNBF-KGLIPLIRSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)CC[N@@H+]1CCO[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001378670107 975434264 /nfs/dbraw/zinc/43/42/64/975434264.db2.gz WKNHUZSHZOHZKK-HNNXBMFYSA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001388685610 975551726 /nfs/dbraw/zinc/55/17/26/975551726.db2.gz IDUSNBPQFLDYRF-RWMBFGLXSA-N 2 0 273.396 1.171 10 0 CDAERP CC(C)[NH2+][C@H]1C[C@@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001388680623 975552855 /nfs/dbraw/zinc/55/28/55/975552855.db2.gz HOKOFXDUVSEZQV-QLFBSQMISA-N 2 0 281.444 1.754 10 0 CDAERP CC(C)[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001378962616 975566827 /nfs/dbraw/zinc/56/68/27/975566827.db2.gz BUENHILDDDGNAG-CABCVRRESA-N 2 0 283.460 1.998 10 0 CDAERP CC[NH+]1CCC([C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001508064623 975595058 /nfs/dbraw/zinc/59/50/58/975595058.db2.gz JCILOWHONOZFBV-CYBMUJFWSA-N 2 0 281.444 1.565 10 0 CDAERP C[NH+](C)CCCCC(=O)NCC1=CC[N@H+](CC2CC2)CC1 ZINC001508229055 975646226 /nfs/dbraw/zinc/64/62/26/975646226.db2.gz JWYQWMDKUWDIDD-UHFFFAOYSA-N 2 0 293.455 1.877 10 0 CDAERP CC[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CC[C@H](C)F ZINC001405301842 975710688 /nfs/dbraw/zinc/71/06/88/975710688.db2.gz ZRFPTMAFPQAAQB-GXTWGEPZSA-N 2 0 287.423 1.561 10 0 CDAERP CCC(CC)C[NH2+]C[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001401620555 975741821 /nfs/dbraw/zinc/74/18/21/975741821.db2.gz VYBVGOSONPUIIH-CJNGLKHVSA-N 2 0 295.471 1.859 10 0 CDAERP CC[C@H](C)C[N@H+](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001379768849 976061133 /nfs/dbraw/zinc/06/11/33/976061133.db2.gz SWVYAQDGIOAPGF-UONOGXRCSA-N 2 0 281.444 1.565 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)COC)C1 ZINC001389984479 976073094 /nfs/dbraw/zinc/07/30/94/976073094.db2.gz UXPOQUKSBYLBBE-XQLPTFJDSA-N 2 0 297.443 1.133 10 0 CDAERP O=C(N[C@H]1C[C@@H]([NH2+]C/C=C/Cl)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001398620555 976077746 /nfs/dbraw/zinc/07/77/46/976077746.db2.gz MGLNQQZBTWTSIZ-HHTMQVMFSA-N 2 0 297.830 1.318 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@@](C)(NC(=O)Cn2ccnc2)C1 ZINC001402128472 976134506 /nfs/dbraw/zinc/13/45/06/976134506.db2.gz PRLIRYUFPZQWFJ-GXTWGEPZSA-N 2 0 282.363 1.212 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001402141168 976143351 /nfs/dbraw/zinc/14/33/51/976143351.db2.gz MBWOMEFVGALCBC-HOCLYGCPSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001406408420 976168927 /nfs/dbraw/zinc/16/89/27/976168927.db2.gz HDDWFMHWUCLHRV-ZIAGYGMSSA-N 2 0 295.471 1.859 10 0 CDAERP CC[C@H](C[NH+]1CCC(C)(NC(=O)CC[NH+](C)C)CC1)OC ZINC001380308131 976342829 /nfs/dbraw/zinc/34/28/29/976342829.db2.gz WMZBPZSODOLCOG-CQSZACIVSA-N 2 0 299.459 1.334 10 0 CDAERP CO[C@@H](C)C[NH+]1CCC(C)(NC(=O)C[NH+]2CCCC2)CC1 ZINC001380317484 976346804 /nfs/dbraw/zinc/34/68/04/976346804.db2.gz ZNULCGVFRNPAQI-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP O=C(NCC1([NH2+]CC2CC2)CCC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001402547411 976356519 /nfs/dbraw/zinc/35/65/19/976356519.db2.gz RSSWRUNSRYUREK-OAHLLOKOSA-N 2 0 291.439 1.367 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001402568011 976366162 /nfs/dbraw/zinc/36/61/62/976366162.db2.gz ARTGCNLMGLELLO-XQLPTFJDSA-N 2 0 299.434 1.844 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC(C)C)C1 ZINC001390606544 976389021 /nfs/dbraw/zinc/38/90/21/976389021.db2.gz RJFBEMRPJSKTBS-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](C[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)C)C1)OC ZINC001402660836 976431993 /nfs/dbraw/zinc/43/19/93/976431993.db2.gz INGQDJBFHZDHFZ-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[N@@H+]1CCC[C@](C)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001380486596 976432632 /nfs/dbraw/zinc/43/26/32/976432632.db2.gz VCBBUDISMPXGHV-MRXNPFEDSA-N 2 0 293.455 1.711 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC[C@@H](C)F)CC1 ZINC001406928631 976484424 /nfs/dbraw/zinc/48/44/24/976484424.db2.gz ZLDHWLVYSDZHOW-ZIAGYGMSSA-N 2 0 299.434 1.847 10 0 CDAERP O=C(NCC1([NH2+]CC2CC2)CC1)C12CCC[NH+](CCC1)C2 ZINC001406941122 976487749 /nfs/dbraw/zinc/48/77/49/976487749.db2.gz WHQKZIOPDNSPJV-UHFFFAOYSA-N 2 0 291.439 1.511 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001407021606 976509207 /nfs/dbraw/zinc/50/92/07/976509207.db2.gz AAHDGVIOVPGFTR-ZBFHGGJFSA-N 2 0 299.434 1.611 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]CC3CCCC3)CCC2)C1 ZINC001380897523 976597937 /nfs/dbraw/zinc/59/79/37/976597937.db2.gz PNRLCMPMKUBYPC-OAHLLOKOSA-N 2 0 293.455 1.757 10 0 CDAERP CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001402936367 976603790 /nfs/dbraw/zinc/60/37/90/976603790.db2.gz MXZBUBGVRWYLIF-CABCVRRESA-N 2 0 281.444 1.661 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+](C[C@@H](C)CC)C1 ZINC001391114203 976696942 /nfs/dbraw/zinc/69/69/42/976696942.db2.gz SMYJABMDMQFTJP-GJZGRUSLSA-N 2 0 283.460 1.812 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001391114279 976697078 /nfs/dbraw/zinc/69/70/78/976697078.db2.gz KYSXBRZGSYDOJI-HUUCEWRRSA-N 2 0 281.444 1.566 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+](C[C@H](C)CC)C1 ZINC001391114241 976698494 /nfs/dbraw/zinc/69/84/94/976698494.db2.gz SMYJABMDMQFTJP-HUUCEWRRSA-N 2 0 283.460 1.812 10 0 CDAERP CC(C)CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001391196475 976755646 /nfs/dbraw/zinc/75/56/46/976755646.db2.gz JOYPFQAHOIZYFU-CQSZACIVSA-N 2 0 281.444 1.565 10 0 CDAERP C[N@H+](CCCF)C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001381327169 976761989 /nfs/dbraw/zinc/76/19/89/976761989.db2.gz XTFNIZKYOXSXPV-CQSZACIVSA-N 2 0 285.407 1.365 10 0 CDAERP C[C@@H]([NH2+]CC1CC(F)(F)C1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001381413269 976810658 /nfs/dbraw/zinc/81/06/58/976810658.db2.gz BRYGQYXKCHNDKF-MNOVXSKESA-N 2 0 291.386 1.466 10 0 CDAERP CC[N@H+](CCNC(=O)CC[C@H]1CCC[NH+]1C)C(C)C ZINC001492971801 976850913 /nfs/dbraw/zinc/85/09/13/976850913.db2.gz JNTVMCGQTAMQLC-CQSZACIVSA-N 2 0 269.433 1.707 10 0 CDAERP C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1C[NH+](CC2CC2)C1 ZINC001403341942 976896120 /nfs/dbraw/zinc/89/61/20/976896120.db2.gz YQYFBBADMNTIQQ-GXTWGEPZSA-N 2 0 279.428 1.175 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1CC[N@H+](CC2CC(C)C2)C1)[NH+](C)C ZINC001391580675 976973941 /nfs/dbraw/zinc/97/39/41/976973941.db2.gz UGMQZMVTCNFWHO-NEXFUWMNSA-N 2 0 281.444 1.563 10 0 CDAERP CC[NH2+]C[C@]1(NC(=O)C23CC[NH+](CC2)C3)CCCC[C@H]1C ZINC001391804220 977101377 /nfs/dbraw/zinc/10/13/77/977101377.db2.gz FZEAEXDLQUTGNX-RHSMWYFYSA-N 2 0 293.455 1.757 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N[C@@](C)(C[NH2+]CC2CC2)C2CC2)C1 ZINC001391799404 977102363 /nfs/dbraw/zinc/10/23/63/977102363.db2.gz REOHERMFTFXENH-CJNGLKHVSA-N 2 0 279.428 1.223 10 0 CDAERP Cc1cc(C[NH2+]C[C@H](C)CNC(=O)C[N@H+](C)C(C)C)no1 ZINC001391957220 977161989 /nfs/dbraw/zinc/16/19/89/977161989.db2.gz BPAREOZVNABVTL-LBPRGKRZSA-N 2 0 296.415 1.165 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)CCOC ZINC001403866580 977236914 /nfs/dbraw/zinc/23/69/14/977236914.db2.gz LGKYTCUAXIJRPG-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)N(CC[N@H+](C)CCCO)C(=O)[C@@H]1CCCC[NH+]1C ZINC001404002537 977301736 /nfs/dbraw/zinc/30/17/36/977301736.db2.gz ITEOYADLHRHQBM-HNNXBMFYSA-N 2 0 299.459 1.022 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001404011525 977306796 /nfs/dbraw/zinc/30/67/96/977306796.db2.gz PRVZMTIDBWYTOV-INIZCTEOSA-N 2 0 289.423 1.719 10 0 CDAERP C[C@@H](F)CC[NH2+]C1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001382587991 977312293 /nfs/dbraw/zinc/31/22/93/977312293.db2.gz AOZQNQMZFFRSIH-IYXRBSQSSA-N 2 0 285.407 1.409 10 0 CDAERP CC(C)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001392573938 977492002 /nfs/dbraw/zinc/49/20/02/977492002.db2.gz QSSGACMPQZUSKL-GJZGRUSLSA-N 2 0 283.460 1.857 10 0 CDAERP CC(C)C[N@H+](C)C[C@H](C)NC(=O)C[C@@H](C)n1ccnc1 ZINC001392700167 977555616 /nfs/dbraw/zinc/55/56/16/977555616.db2.gz GVHCTHNYIQVNIK-UONOGXRCSA-N 2 0 280.416 1.927 10 0 CDAERP C[C@@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]C/C=C\Cl ZINC001393827215 977929707 /nfs/dbraw/zinc/92/97/07/977929707.db2.gz SJYKKTYAMAHPJA-RNZFLTOJSA-N 2 0 273.808 1.319 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]C/C=C\Cl ZINC001394005824 977997710 /nfs/dbraw/zinc/99/77/10/977997710.db2.gz RQGSTVSMWHPKFL-MVSYMCDOSA-N 2 0 275.824 1.562 10 0 CDAERP CC[C@@H](C)C[N@H+](C)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001394103922 978065462 /nfs/dbraw/zinc/06/54/62/978065462.db2.gz PQLNAYQRERKNHL-ZIAGYGMSSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[N@H+](C)CC1CCCC1 ZINC001394101756 978065900 /nfs/dbraw/zinc/06/59/00/978065900.db2.gz IXBYCMCAZCRBMS-CQSZACIVSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001676368710 1174214311 /nfs/dbraw/zinc/21/43/11/1174214311.db2.gz JLJOZSOQCWRHCY-QWHCGFSZSA-N 2 0 255.406 1.316 10 0 CDAERP CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001676487210 1174233152 /nfs/dbraw/zinc/23/31/52/1174233152.db2.gz AHBFJQNVQWPCSL-KBPBESRZSA-N 2 0 269.433 1.707 10 0 CDAERP CC[C@@H](C(=O)N(C)C1CC([NH2+]CCCF)C1)[NH+](C)C ZINC001677442210 1174361887 /nfs/dbraw/zinc/36/18/87/1174361887.db2.gz ZSXUMBYHZLHIJW-BPCQOVAHSA-N 2 0 273.396 1.265 10 0 CDAERP CCCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCO1 ZINC001570141932 1170095101 /nfs/dbraw/zinc/09/51/01/1170095101.db2.gz BKDYLNMLCQPXAM-OAHLLOKOSA-N 2 0 297.443 1.088 10 0 CDAERP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H](C[NH2+]CCC1CC1)C1CC1 ZINC001571357626 1170384053 /nfs/dbraw/zinc/38/40/53/1170384053.db2.gz OTEGJASQZLUGFV-HOTGVXAUSA-N 2 0 293.455 1.707 10 0 CDAERP CCCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CC1(C)C ZINC001571565894 1170478929 /nfs/dbraw/zinc/47/89/29/1170478929.db2.gz HUBLCFUSLVYADS-UONOGXRCSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@@H](C[NH2+]CCF)C(C)(C)C)C1 ZINC001571633120 1170503216 /nfs/dbraw/zinc/50/32/16/1170503216.db2.gz IQONYWKSDNNDHQ-OLZOCXBDSA-N 2 0 287.423 1.418 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000601006640 342458752 /nfs/dbraw/zinc/45/87/52/342458752.db2.gz NNJLNUYZPDKDMQ-CVEARBPZSA-N 2 0 293.455 1.948 10 0 CDAERP CCCCOC[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000300299659 342462664 /nfs/dbraw/zinc/46/26/64/342462664.db2.gz QXSQJMCKVMWPHF-MGPQQGTHSA-N 2 0 258.406 1.236 10 0 CDAERP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)[C@H]1CCCCO1 ZINC000624011956 342527124 /nfs/dbraw/zinc/52/71/24/342527124.db2.gz NRPIPDGJIVITJC-ARFHVFGLSA-N 2 0 285.476 1.806 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000618556689 349482719 /nfs/dbraw/zinc/48/27/19/349482719.db2.gz KJAVUOLKTQEZLT-HNNXBMFYSA-N 2 0 294.443 1.254 10 0 CDAERP COc1cc(C)c(C[NH2+]CCC2(C[NH3+])CC2)c(C)n1 ZINC000650713311 398157377 /nfs/dbraw/zinc/15/73/77/398157377.db2.gz NVZYRTIXYYGAKB-UHFFFAOYSA-N 2 0 263.385 1.926 10 0 CDAERP CC[C@@H](Cn1cncn1)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650754792 398178605 /nfs/dbraw/zinc/17/86/05/398178605.db2.gz QVYUKAGAVSOQPZ-ZDUSSCGKSA-N 2 0 277.347 1.444 10 0 CDAERP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000624941077 342022994 /nfs/dbraw/zinc/02/29/94/342022994.db2.gz MWWKPVYXPDPDCA-KKUMJFAQSA-N 2 0 294.443 1.349 10 0 CDAERP CC[NH+]1CCC(C[NH2+]Cc2cnn(C)c2C)CC1 ZINC000093650194 342062154 /nfs/dbraw/zinc/06/21/54/342062154.db2.gz IZLIVRQILNQAOV-UHFFFAOYSA-N 2 0 250.390 1.550 10 0 CDAERP C[NH+](C)CCc1noc(CC[C@@H]2CCCC[NH2+]2)n1 ZINC000096883634 185119126 /nfs/dbraw/zinc/11/91/26/185119126.db2.gz MTSGAKUMBUXNOL-NSHDSACASA-N 2 0 252.362 1.248 10 0 CDAERP CC(C)OC(=O)CC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000592478495 342699349 /nfs/dbraw/zinc/69/93/49/342699349.db2.gz FIGZVPKBHYYCBX-ZIAGYGMSSA-N 2 0 268.401 1.792 10 0 CDAERP CC[C@H](CO)[NH+]1CCN(CC[NH+]2CCC(C)CC2)CC1 ZINC000305156528 529386573 /nfs/dbraw/zinc/38/65/73/529386573.db2.gz QDYIAOSYGXLVBQ-MRXNPFEDSA-N 2 0 283.460 1.107 10 0 CDAERP C[NH+](C)CCN1CCN(CC2CC(C)(C)C2)CC1=O ZINC000625511012 342179557 /nfs/dbraw/zinc/17/95/57/342179557.db2.gz NGFAPFYMNGODEJ-UHFFFAOYSA-N 2 0 267.417 1.128 10 0 CDAERP [NH3+][C@H]1CCN2CCC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000096949975 185139198 /nfs/dbraw/zinc/13/91/98/185139198.db2.gz YFYOWXODCHHCKZ-JKSUJKDBSA-N 2 0 259.397 1.684 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)CC(=O)Nc1ccccc1C ZINC000629392643 361909229 /nfs/dbraw/zinc/90/92/29/361909229.db2.gz QXMIGEBVWBGVPT-AWEZNQCLSA-N 2 0 293.411 1.538 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCc1cc(F)ccc1F ZINC000422817136 536595184 /nfs/dbraw/zinc/59/51/84/536595184.db2.gz CHASYVOCZGGOLW-CYBMUJFWSA-N 2 0 272.339 1.851 10 0 CDAERP C[C@@H](CNC(=O)NCCC1(C[NH3+])CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000652128331 539036245 /nfs/dbraw/zinc/03/62/45/539036245.db2.gz WZCZNDBPSBPSBH-KBPBESRZSA-N 2 0 296.459 1.535 10 0 CDAERP C[C@@H](CNC(=O)NCCC1(C[NH3+])CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000652128332 539036304 /nfs/dbraw/zinc/03/63/04/539036304.db2.gz WZCZNDBPSBPSBH-KGLIPLIRSA-N 2 0 296.459 1.535 10 0 CDAERP CCOC(=O)C1([C@H](C)N[C@@H]2CC[NH2+][C@H]2CC)CC[NH2+]CC1 ZINC000600710379 342243662 /nfs/dbraw/zinc/24/36/62/342243662.db2.gz NVUHFNYOAFOPAE-MELADBBJSA-N 2 0 297.443 1.038 10 0 CDAERP COC(=O)c1ccc(CN2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)s1 ZINC000600746340 342247551 /nfs/dbraw/zinc/24/75/51/342247551.db2.gz RRQMFIHMTLBKBT-GASCZTMLSA-N 2 0 294.420 1.966 10 0 CDAERP CC[NH+](CC)CCO[C@@H]1CCN(Cc2cncnc2)C1 ZINC000354078887 539099846 /nfs/dbraw/zinc/09/98/46/539099846.db2.gz ZQLFVSMDTRRGPS-OAHLLOKOSA-N 2 0 278.400 1.409 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC000362574444 282170327 /nfs/dbraw/zinc/17/03/27/282170327.db2.gz DYPKFZSLVBOODP-AWEZNQCLSA-N 2 0 267.417 1.175 10 0 CDAERP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000594960930 342984329 /nfs/dbraw/zinc/98/43/29/342984329.db2.gz UEDMDQPSRAISBU-LCKSAXQVSA-N 2 0 266.385 1.399 10 0 CDAERP CC[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH+]2CCOC)[C@H](C)C1 ZINC000163322523 362083199 /nfs/dbraw/zinc/08/31/99/362083199.db2.gz GEJMTVZFCRDUSY-PMPSAXMXSA-N 2 0 283.460 1.417 10 0 CDAERP [NH3+][C@H](C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1)C1CCC1 ZINC000645107488 362120898 /nfs/dbraw/zinc/12/08/98/362120898.db2.gz PXASBQGABNSYFK-MJBXVCDLSA-N 2 0 265.401 1.104 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@]1(C)COc2ccccc2O1 ZINC000629512468 362123941 /nfs/dbraw/zinc/12/39/41/362123941.db2.gz BAJYLUHUAPYCHD-SLEUVZQESA-N 2 0 264.369 1.932 10 0 CDAERP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCC1([NH3+])CCOCC1 ZINC000629520437 362134255 /nfs/dbraw/zinc/13/42/55/362134255.db2.gz LBLPKGLLTINFBU-ZFWWWQNUSA-N 2 0 277.412 1.042 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H]1CSCCc2ccccc21 ZINC000629529602 362157642 /nfs/dbraw/zinc/15/76/42/362157642.db2.gz IJDUFYWFTPSNKZ-OAHLLOKOSA-N 2 0 280.437 1.843 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H]1CCCC12CCOCC2 ZINC000629530640 362158878 /nfs/dbraw/zinc/15/88/78/362158878.db2.gz MGOOJOPZYZSQMJ-ZDUSSCGKSA-N 2 0 256.390 1.161 10 0 CDAERP CS[C@H](CO)[C@@H](C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000598966704 343930920 /nfs/dbraw/zinc/93/09/20/343930920.db2.gz ZBLZEFMEIOMUDM-GRYCIOLGSA-N 2 0 260.447 1.561 10 0 CDAERP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000250645635 344049019 /nfs/dbraw/zinc/04/90/19/344049019.db2.gz VDZIPDLJUSIALL-BARDWOONSA-N 2 0 279.428 1.365 10 0 CDAERP CCn1c(C)nnc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000571325916 362398379 /nfs/dbraw/zinc/39/83/79/362398379.db2.gz ZJCFWKABNCTBLT-BETUJISGSA-N 2 0 263.389 1.038 10 0 CDAERP C[C@@H]1CCC[C@@](CNC(=O)[C@]2(C)CCC[NH2+]2)([NH+](C)C)C1 ZINC000079519384 345303384 /nfs/dbraw/zinc/30/33/84/345303384.db2.gz DBDHVBVDBLXVFZ-VNQPRFMTSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H](CN1CCOCC1)[N@H+](C)C[C@H]1CCc2nccn2C1 ZINC000328645670 345379342 /nfs/dbraw/zinc/37/93/42/345379342.db2.gz SGJLICANBTWKAK-LSDHHAIUSA-N 2 0 292.427 1.098 10 0 CDAERP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079510577 362645041 /nfs/dbraw/zinc/64/50/41/362645041.db2.gz OHVSJTVDKKZKMD-UKRRQHHQSA-N 2 0 269.433 1.755 10 0 CDAERP CC(C)c1ncc2c(n1)CCN(C[C@H]1CC[NH2+]C1)C2 ZINC000623232725 345727260 /nfs/dbraw/zinc/72/72/60/345727260.db2.gz WOHZZIJLGZFYJL-LBPRGKRZSA-N 2 0 260.385 1.568 10 0 CDAERP CN1CC[NH+](CCCC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623357091 346085318 /nfs/dbraw/zinc/08/53/18/346085318.db2.gz ZPVMNUGDBMTDGU-MRXNPFEDSA-N 3 0 296.503 1.476 10 0 CDAERP CCC1CCC([N@H+](C)C[C@@](O)(C[NH3+])C2CC2)CC1 ZINC000085301594 179010680 /nfs/dbraw/zinc/01/06/80/179010680.db2.gz HDAZEONKQWBTFF-ZALBZXLWSA-N 2 0 254.418 1.987 10 0 CDAERP [NH3+]C[C@@H](O)CC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000085304342 179011025 /nfs/dbraw/zinc/01/10/25/179011025.db2.gz GLWJYQYRVZOVEG-INIZCTEOSA-N 2 0 262.397 1.651 10 0 CDAERP C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000085365683 179036467 /nfs/dbraw/zinc/03/64/67/179036467.db2.gz DPNNVVXVABNMJT-HUUCEWRRSA-N 2 0 291.395 1.693 10 0 CDAERP Cc1cc(Br)ccc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000263299909 362726844 /nfs/dbraw/zinc/72/68/44/362726844.db2.gz WXTRUARKFGMNOX-DGCLKSJQSA-N 2 0 299.212 1.427 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)n1cnc2c1CC[NH2+]C2 ZINC000085567456 179094905 /nfs/dbraw/zinc/09/49/05/179094905.db2.gz KJXDWKQHPOTSKU-GFCCVEGCSA-N 2 0 250.390 1.678 10 0 CDAERP CC(C)Cc1nc2c(n1[C@@H]1C[NH+]3CCC1CC3)CC[NH2+]C2 ZINC000085568699 179094982 /nfs/dbraw/zinc/09/49/82/179094982.db2.gz MSMWWEGIGMWQPN-MRXNPFEDSA-N 2 0 288.439 1.994 10 0 CDAERP CCc1nc2c(n1C[C@H]1CCC[N@H+]1CC)CC[NH2+]C2 ZINC000085568646 179095422 /nfs/dbraw/zinc/09/54/22/179095422.db2.gz KLMULSXYWIEAAZ-GFCCVEGCSA-N 2 0 262.401 1.576 10 0 CDAERP CCCc1nc2c(n1CC[NH+](CC)CC)CC[NH2+]C2 ZINC000085569395 179096570 /nfs/dbraw/zinc/09/65/70/179096570.db2.gz HBIBRCRZLGBKEO-UHFFFAOYSA-N 2 0 264.417 1.823 10 0 CDAERP CCc1nc2c(n1CC[N@H+](C)C1CCCC1)CC[NH2+]C2 ZINC000085571683 179096881 /nfs/dbraw/zinc/09/68/81/179096881.db2.gz MCPAUNOKKRQTRC-UHFFFAOYSA-N 2 0 276.428 1.966 10 0 CDAERP COCCOCC[N@@H+]1C[C@@](C)(C2CC2)[NH2+]CC[C@@H]1C ZINC000085623803 179106680 /nfs/dbraw/zinc/10/66/80/179106680.db2.gz MMJBPEKUXCSRMI-ZFWWWQNUSA-N 2 0 270.417 1.502 10 0 CDAERP CCC(=O)N1CC[C@@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623449768 346766930 /nfs/dbraw/zinc/76/69/30/346766930.db2.gz KUWZSIKLJBHPIY-CHWSQXEVSA-N 2 0 267.417 1.460 10 0 CDAERP COc1cc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)on1 ZINC000641797434 365865648 /nfs/dbraw/zinc/86/56/48/365865648.db2.gz CHCCWHODHXCGEF-YPMHNXCESA-N 2 0 265.357 1.647 10 0 CDAERP C[C@H]1C[C@@H](NC(=O)C2C[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000263328957 362775771 /nfs/dbraw/zinc/77/57/71/362775771.db2.gz UFYPEVFMFBNGBR-BBRMVZONSA-N 2 0 287.407 1.375 10 0 CDAERP CC[NH+]1CCC(N(C)[C@@](CC)(C[NH3+])C2CC2)CC1 ZINC000086120475 179234948 /nfs/dbraw/zinc/23/49/48/179234948.db2.gz BPCWWMGOPPEXFS-HNNXBMFYSA-N 2 0 253.434 1.920 10 0 CDAERP CC[C@](C[NH3+])(C1CC1)N1CC[NH+](CC2CC2)CC1 ZINC000086120366 179234957 /nfs/dbraw/zinc/23/49/57/179234957.db2.gz TTZVFVJMPGUUQF-HNNXBMFYSA-N 2 0 251.418 1.532 10 0 CDAERP c1ccc(C[C@H]2CN([C@@H]3CC[N@@H+](C4CC4)C3)CC[NH2+]2)cc1 ZINC000086146001 179239195 /nfs/dbraw/zinc/23/91/95/179239195.db2.gz HUBIQTWYERTNQC-FUHWJXTLSA-N 2 0 285.435 1.740 10 0 CDAERP CC[C@@H]1C[NH2+][C@@H](C2CC2)CN1[C@@H]1CCC[N@H+](CC)C1 ZINC000086225408 179253630 /nfs/dbraw/zinc/25/36/30/179253630.db2.gz QPMNDYOUNFXHKG-BZUAXINKSA-N 2 0 265.445 1.933 10 0 CDAERP CC(C)C[C@@H]1CN([C@@H]2CC[N@@H+](C3CC3)C2)[C@@H](C)C[NH2+]1 ZINC000086259636 179259008 /nfs/dbraw/zinc/25/90/08/179259008.db2.gz PGFYCLRAFNYXCF-SQWLQELKSA-N 2 0 265.445 1.932 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623491234 347603180 /nfs/dbraw/zinc/60/31/80/347603180.db2.gz KJOCFJXJMHZSTO-HNNXBMFYSA-N 3 0 285.476 1.807 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H](CO)C2CCCC2)CC1(C)C ZINC000623528875 347617304 /nfs/dbraw/zinc/61/73/04/347617304.db2.gz JFVFPLDNYJROHD-KBPBESRZSA-N 2 0 254.418 2.000 10 0 CDAERP COC[C@@](C)(O)CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623535847 347619807 /nfs/dbraw/zinc/61/98/07/347619807.db2.gz GWQJPIXJJBBFSQ-JSGCOSHPSA-N 2 0 258.406 1.236 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@]2(C)CCC(=O)N2)CC1(C)C ZINC000623543914 347625316 /nfs/dbraw/zinc/62/53/16/347625316.db2.gz COYPOHORACLTQY-SMDDNHRTSA-N 2 0 253.390 1.118 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)[C@@H]2CCOC2)CC1(C)C ZINC000623511910 347610790 /nfs/dbraw/zinc/61/07/90/347610790.db2.gz LQVQXSZTKQTMOK-MCIONIFRSA-N 2 0 270.417 1.094 10 0 CDAERP [NH3+]C/C=C/CNC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000641861878 365945187 /nfs/dbraw/zinc/94/51/87/365945187.db2.gz FPFNDBZSNIRRBD-ONEGZZNKSA-N 2 0 268.405 1.052 10 0 CDAERP CCN(CCC[NH+](CC)CC)C(=O)NC/C=C/C[NH3+] ZINC000641867027 365951653 /nfs/dbraw/zinc/95/16/53/365951653.db2.gz LZMFFFYGHFJHJK-BQYQJAHWSA-N 2 0 270.421 1.265 10 0 CDAERP C[NH+]1CCC2(CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)CC1 ZINC000614963456 348288579 /nfs/dbraw/zinc/28/85/79/348288579.db2.gz OCENPKBYFAXFMK-UHFFFAOYSA-N 2 0 298.390 1.892 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCC(C)(C)CO)[C@@H]2CCC[C@H]21 ZINC000453286174 290217299 /nfs/dbraw/zinc/21/72/99/290217299.db2.gz XPZVMSPDMGYXDQ-MELADBBJSA-N 2 0 254.418 1.857 10 0 CDAERP C[NH+](C)[C@H]1CCCN(C(=O)c2ccccc2CC[NH3+])C1 ZINC000091395019 349331283 /nfs/dbraw/zinc/33/12/83/349331283.db2.gz YEMJFZTUSSZHNG-AWEZNQCLSA-N 2 0 275.396 1.354 10 0 CDAERP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000091547244 349333125 /nfs/dbraw/zinc/33/31/25/349333125.db2.gz QHTIMAYBRLZTAU-CHWSQXEVSA-N 2 0 261.369 1.814 10 0 CDAERP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000629536083 362950060 /nfs/dbraw/zinc/95/00/60/362950060.db2.gz DUDNAJIBQJMVOQ-JKOKRWQUSA-N 2 0 262.401 1.640 10 0 CDAERP C[C@H]([NH2+]CCOCCC[NH3+])c1ccnn1-c1ccccc1 ZINC000629538542 362955174 /nfs/dbraw/zinc/95/51/74/362955174.db2.gz NREHPCGSHGTFQR-AWEZNQCLSA-N 2 0 288.395 1.888 10 0 CDAERP Cc1nc2c(s1)[C@H]([NH2+]CCOCCC[NH3+])CCC2 ZINC000629542328 362966483 /nfs/dbraw/zinc/96/64/83/362966483.db2.gz YKPGEOBRJBQVSA-LLVKDONJSA-N 2 0 269.414 1.784 10 0 CDAERP C(CC[NH+]1CCOCC1)C[NH2+]C[C@@H]1CCSC1 ZINC000486968059 365986949 /nfs/dbraw/zinc/98/69/49/365986949.db2.gz IQKWMINFDCDAHQ-ZDUSSCGKSA-N 2 0 258.431 1.442 10 0 CDAERP CCn1nccc1CC[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000621776237 350773205 /nfs/dbraw/zinc/77/32/05/350773205.db2.gz GQYMSKSPGKIYFI-DZGCQCFKSA-N 2 0 264.417 1.895 10 0 CDAERP CN(C)[C@H](C(=O)N[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000066050021 350792434 /nfs/dbraw/zinc/79/24/34/350792434.db2.gz YMVVHUHOEPBQHH-GJZGRUSLSA-N 2 0 275.396 1.500 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)CCc1nc2ccccc2n1C ZINC000629571399 363025113 /nfs/dbraw/zinc/02/51/13/363025113.db2.gz UNYYEXXXXDZMMV-UHFFFAOYSA-N 2 0 290.411 1.284 10 0 CDAERP C[C@@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)C1CC[NH+](C)CC1 ZINC000624206176 351480689 /nfs/dbraw/zinc/48/06/89/351480689.db2.gz FLQKYNIAZMQGDN-CQSZACIVSA-N 2 0 295.471 1.955 10 0 CDAERP CN(C[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O)C1CC1 ZINC000314242460 366039419 /nfs/dbraw/zinc/03/94/19/366039419.db2.gz REWWHCJVZPTCCC-MWDXBVQZSA-N 2 0 296.455 1.457 10 0 CDAERP COC[C@@]1(C)C[N@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000629594402 363115638 /nfs/dbraw/zinc/11/56/38/363115638.db2.gz CANDBHHDYIYXFC-CQSZACIVSA-N 2 0 256.390 1.113 10 0 CDAERP C[C@H](CNC(=O)N[C@H]1CCCC[NH2+]C1)[NH+]1CCC(C)CC1 ZINC000333717985 363116334 /nfs/dbraw/zinc/11/63/34/363116334.db2.gz GFXSDXDEYBJSJU-CABCVRRESA-N 2 0 296.459 1.548 10 0 CDAERP C[C@H](CNC(=O)N[C@H]1CCCC[NH2+]C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000333936178 363238354 /nfs/dbraw/zinc/23/83/54/363238354.db2.gz KEPKBVRSLSOIDO-KFWWJZLASA-N 2 0 296.459 1.548 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1cccc2c1OCCCO2 ZINC000629653040 363253366 /nfs/dbraw/zinc/25/33/66/363253366.db2.gz LBIUMSAVKMMJEY-UHFFFAOYSA-N 2 0 294.395 1.516 10 0 CDAERP Cc1nocc1C[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000570110335 363364289 /nfs/dbraw/zinc/36/42/89/363364289.db2.gz QARADOQGDVKIIM-UHFFFAOYSA-N 2 0 266.389 1.100 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)C1 ZINC000418602339 535259406 /nfs/dbraw/zinc/25/94/06/535259406.db2.gz VIPJVISMPBQZHZ-KKUMJFAQSA-N 2 0 296.459 1.358 10 0 CDAERP [NH2+]=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)NC1CCCCC1 ZINC000112801251 366150159 /nfs/dbraw/zinc/15/01/59/366150159.db2.gz WGLHXXYITMZIJF-KGLIPLIRSA-N 2 0 280.416 1.296 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3c[nH]nc3C2)[C@H]2CCC[C@@H]21 ZINC000353408657 283141764 /nfs/dbraw/zinc/14/17/64/283141764.db2.gz UNZGWUAWSOSBCR-NYTXWWLZSA-N 2 0 274.412 1.729 10 0 CDAERP C[C@]1(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CCCC[NH2+]1 ZINC000336513061 356193415 /nfs/dbraw/zinc/19/34/15/356193415.db2.gz CWMHAZWJLQONMI-CABCVRRESA-N 2 0 265.401 1.121 10 0 CDAERP O=C(NC1CCN(c2ccccn2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000037008422 356306237 /nfs/dbraw/zinc/30/62/37/356306237.db2.gz FOCMYSZEGISYAM-AWEZNQCLSA-N 2 0 288.395 1.309 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)[C@H]2[NH2+]CCCC2(C)C)CC[NH2+]1 ZINC000417811116 297281253 /nfs/dbraw/zinc/28/12/53/297281253.db2.gz CZQLEQXCYAHPAD-GRYCIOLGSA-N 2 0 253.390 1.021 10 0 CDAERP CO[C@@H](C)C[N@H+](C[C@H](O)C[NH+](C)C(C)C)C(C)C ZINC000659945821 412627177 /nfs/dbraw/zinc/62/71/77/412627177.db2.gz CRONNFHWXUKCRJ-UONOGXRCSA-N 2 0 260.422 1.433 10 0 CDAERP C[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)C1=CC[N@H+](C)CC1 ZINC000273620345 192233312 /nfs/dbraw/zinc/23/33/12/192233312.db2.gz MLBLUKNYNSRKPB-GFCCVEGCSA-N 2 0 288.395 1.528 10 0 CDAERP CC[C@@H](Cc1ccccc1)[N@H+](C)C[C@@H]1CNCCO1 ZINC000124474599 538451008 /nfs/dbraw/zinc/45/10/08/538451008.db2.gz XAEOISRSSCVDDT-HOTGVXAUSA-N 2 0 262.397 1.928 10 0 CDAERP CCC[NH+](CCC)CCCNC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000417467502 283213708 /nfs/dbraw/zinc/21/37/08/283213708.db2.gz MBXJBOIQIVPUFY-QWHCGFSZSA-N 2 0 272.437 1.533 10 0 CDAERP CC(C)(C[NH2+]C[C@H](O)C[C@](C)(O)C1CC1)C[NH+]1CCCC1 ZINC000634712678 357411969 /nfs/dbraw/zinc/41/19/69/357411969.db2.gz KDLTWRGVKBDASB-WBVHZDCISA-N 2 0 298.471 1.610 10 0 CDAERP CCNC(=O)C(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000367627214 357484480 /nfs/dbraw/zinc/48/44/80/357484480.db2.gz SCFHOMZOWLWEDU-BFHYXJOUSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)CC[C@@H]1CCC[NH2+]C1)C2 ZINC000634741871 358189774 /nfs/dbraw/zinc/18/97/74/358189774.db2.gz ROEYRVXDXUWLJB-CWRNSKLLSA-N 2 0 279.428 1.224 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@H]1CCCC[C@]1(C)[NH3+])C2 ZINC000634743958 358191849 /nfs/dbraw/zinc/19/18/49/358191849.db2.gz JWIJIBPJDVVJLL-OJLVUWQFSA-N 2 0 279.428 1.352 10 0 CDAERP C[C@@H](C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[NH+]1CCCCCC1 ZINC000634744648 358194700 /nfs/dbraw/zinc/19/47/00/358194700.db2.gz FZZGUAZEPYGFLE-BHYGNILZSA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)[NH2+]CCC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634752504 358257061 /nfs/dbraw/zinc/25/70/61/358257061.db2.gz NDDQEMARCVJNPO-LBPRGKRZSA-N 2 0 255.406 1.269 10 0 CDAERP CC[C@@](C)(O)C[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195269606 358423650 /nfs/dbraw/zinc/42/36/50/358423650.db2.gz NPSBVDDADMZNQK-IAGOWNOFSA-N 2 0 291.439 1.996 10 0 CDAERP C[N@@H+]1C[C@H]2CCN(CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC000644736749 366490969 /nfs/dbraw/zinc/49/09/69/366490969.db2.gz UHLSYBHNKBDBAL-HUUCEWRRSA-N 2 0 251.418 1.498 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)c2ccccc2CC[NH3+])CC1 ZINC000070552072 358968604 /nfs/dbraw/zinc/96/86/04/358968604.db2.gz OPRJBAXSJMHEQT-UHFFFAOYSA-N 2 0 289.423 1.790 10 0 CDAERP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC000335148986 358973342 /nfs/dbraw/zinc/97/33/42/358973342.db2.gz MYUCIOBKCKLSFE-HNNXBMFYSA-N 2 0 281.444 1.517 10 0 CDAERP COc1ccc(C[NH+](C)C)cc1NC(=O)CC[C@H](C)[NH3+] ZINC000070315414 358936408 /nfs/dbraw/zinc/93/64/08/358936408.db2.gz PAJHJXSTLYPSEC-NSHDSACASA-N 2 0 279.384 1.823 10 0 CDAERP C[C@@H]1CN(C(=O)NC2CC([NH+]3CCCCC3)C2)[C@H](C)C[NH2+]1 ZINC000335170531 359010253 /nfs/dbraw/zinc/01/02/53/359010253.db2.gz RKFZJPCQUYBQOB-LMRVLLHPSA-N 2 0 294.443 1.395 10 0 CDAERP Cc1ccncc1N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000261989971 359116120 /nfs/dbraw/zinc/11/61/20/359116120.db2.gz SHAWOPDYLMSOIZ-UHFFFAOYSA-N 2 0 274.412 1.512 10 0 CDAERP C[C@@H]1[NH2+]CC[C@@H]1c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000564958543 359118897 /nfs/dbraw/zinc/11/88/97/359118897.db2.gz HAOFPESWFHTISB-CABZTGNLSA-N 2 0 258.325 1.661 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000347494264 359396150 /nfs/dbraw/zinc/39/61/50/359396150.db2.gz NJTSHKQNCMAXTE-INIZCTEOSA-N 2 0 293.455 1.851 10 0 CDAERP CC(C)[N@@H+]1CCCN(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000335297791 359575577 /nfs/dbraw/zinc/57/55/77/359575577.db2.gz LEEMGGUFOOZGCJ-KBPBESRZSA-N 2 0 282.432 1.110 10 0 CDAERP CCC(=O)N1C[C@H](C[NH+](C)C)[C@@H](C2CC[NH2+]CC2)C1 ZINC000257193907 359607084 /nfs/dbraw/zinc/60/70/84/359607084.db2.gz SDUSZRONBMURCL-UONOGXRCSA-N 2 0 267.417 1.032 10 0 CDAERP COCCN1CCC[C@H]1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000422702598 359650190 /nfs/dbraw/zinc/65/01/90/359650190.db2.gz LEOPIAFCDWENRM-NRXISQOPSA-N 3 0 269.433 1.204 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](C2CC2)C1 ZINC000347900244 359657629 /nfs/dbraw/zinc/65/76/29/359657629.db2.gz UAIKIKKDYVRUFY-HUUCEWRRSA-N 2 0 279.428 1.556 10 0 CDAERP C[C@@H](C[C@@H]1COCC[NH2+]1)NC1CC([NH+]2CCCCC2)C1 ZINC000423094122 359749815 /nfs/dbraw/zinc/74/98/15/359749815.db2.gz JLTFOUXECDXDJW-JWMHWRSXSA-N 2 0 281.444 1.360 10 0 CDAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000423146646 359754397 /nfs/dbraw/zinc/75/43/97/359754397.db2.gz PVDGGUPCCXVQIQ-IKGGRYGDSA-N 2 0 297.487 1.734 10 0 CDAERP C[C@H](CCN[C@H](C1CC1)[C@H]1C[NH2+]CCO1)[NH+]1CCCCC1 ZINC000423033608 359745181 /nfs/dbraw/zinc/74/51/81/359745181.db2.gz OTBRHHNUOQCQET-DJIMGWMZSA-N 2 0 295.471 1.608 10 0 CDAERP C([NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1)[C@H]1C[NH2+]CCCO1 ZINC000423492648 359820718 /nfs/dbraw/zinc/82/07/18/359820718.db2.gz OADKCLSYULPBDY-ZJIFWQFVSA-N 2 0 282.428 1.550 10 0 CDAERP C[C@H](C(=O)N(C)[C@H]1C[NH+]2CCC1CC2)[NH+]1CCCCCC1 ZINC000336513154 363673125 /nfs/dbraw/zinc/67/31/25/363673125.db2.gz UXRHYULWSGNAKL-ZBFHGGJFSA-N 2 0 293.455 1.804 10 0 CDAERP C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)N1CCOCC1 ZINC000336819803 359872029 /nfs/dbraw/zinc/87/20/29/359872029.db2.gz AQDYADXSYQMHPT-UHFFFAOYSA-N 2 0 281.444 1.126 10 0 CDAERP CC(C)[C@H](O)C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000336845838 359916315 /nfs/dbraw/zinc/91/63/15/359916315.db2.gz FTVFIFQNMNIEGW-IXDOHACOSA-N 2 0 297.487 1.494 10 0 CDAERP C[C@@H]1C[N@H+](CCCC2CC[NH2+]CC2)C[C@@H]1N(C)C ZINC000124293079 412695789 /nfs/dbraw/zinc/69/57/89/412695789.db2.gz YMOFJFVJIIQGDD-HIFRSBDPSA-N 2 0 253.434 1.648 10 0 CDAERP [NH3+]CCc1cccc(C[N@@H+]2CCC[C@]3(CNC(=O)O3)C2)c1 ZINC000072436489 360056971 /nfs/dbraw/zinc/05/69/71/360056971.db2.gz ALUUVWNZUIFSKG-INIZCTEOSA-N 2 0 289.379 1.262 10 0 CDAERP CC[NH+](CC)CC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000337462238 360149496 /nfs/dbraw/zinc/14/94/96/360149496.db2.gz QBVNARSBDPLBMV-KBPBESRZSA-N 2 0 269.433 1.517 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000337997597 360608075 /nfs/dbraw/zinc/60/80/75/360608075.db2.gz SJCVCPSQQUDNFH-FVQBIDKESA-N 2 0 265.445 1.791 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000626952524 360697733 /nfs/dbraw/zinc/69/77/33/360697733.db2.gz RTFVNALZJGSUSJ-STQMWFEESA-N 2 0 282.432 1.301 10 0 CDAERP C[C@H]1CN(C(=O)Cn2ccnc2)CCN1Cc1ccccc1 ZINC000519588947 361360449 /nfs/dbraw/zinc/36/04/49/361360449.db2.gz PDLQGHBDBMZMEY-HNNXBMFYSA-N 2 0 298.390 1.616 10 0 CDAERP CC(C)[NH+](CCNC(=O)C[C@@H]1CCC[NH2+]C1)C(C)C ZINC000054290027 361367424 /nfs/dbraw/zinc/36/74/24/361367424.db2.gz VOAQNNYXYAUSMH-AWEZNQCLSA-N 2 0 269.433 1.611 10 0 CDAERP COC[C@H](C)C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000187944775 364870344 /nfs/dbraw/zinc/87/03/44/364870344.db2.gz ZYCKUBFRZRKUOH-ZIAGYGMSSA-N 2 0 258.406 1.095 10 0 CDAERP O=C([C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)N1CCC[N@@H+](C2CC2)CC1 ZINC000246172336 296075400 /nfs/dbraw/zinc/07/54/00/296075400.db2.gz BIACCQFOWZRZAP-BMFZPTHFSA-N 2 0 291.439 1.604 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@@H](CC)Cn2cncn2)CC1 ZINC000353431457 365202593 /nfs/dbraw/zinc/20/25/93/365202593.db2.gz ZBLFHVIKDBGHRU-HNNXBMFYSA-N 2 0 279.432 1.768 10 0 CDAERP CSC[C@H](CCO)[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353520506 365274376 /nfs/dbraw/zinc/27/43/76/365274376.db2.gz PEKOMAKYMDPEJK-FQUUOJAGSA-N 2 0 272.458 1.563 10 0 CDAERP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)[C@@H]1C[C@H]1C ZINC000414080338 241060316 /nfs/dbraw/zinc/06/03/16/241060316.db2.gz UMYNKDBZNSRBBZ-IIAWOOMASA-N 2 0 288.439 1.968 10 0 CDAERP Cc1nccc(N2CC[NH+](C[C@H]3CC[NH2+][C@H](C)C3)CC2)n1 ZINC000414704214 241339502 /nfs/dbraw/zinc/33/95/02/241339502.db2.gz CZFZHHIETFIQOR-HIFRSBDPSA-N 2 0 289.427 1.295 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000357874404 367270180 /nfs/dbraw/zinc/27/01/80/367270180.db2.gz JDSXLWDBGVYDQE-PJPHBNEVSA-N 2 0 293.455 1.992 10 0 CDAERP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627117756 367481924 /nfs/dbraw/zinc/48/19/24/367481924.db2.gz WQGKEJDQNRBJCW-QLFBSQMISA-N 2 0 296.459 1.547 10 0 CDAERP C[C@H]([NH2+]Cc1ccc(-n2cncn2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000414849655 367585077 /nfs/dbraw/zinc/58/50/77/367585077.db2.gz HMRUNCXWSVYKAO-DZGCQCFKSA-N 2 0 285.395 1.745 10 0 CDAERP O=C([C@H]1CCCC[NH2+]1)N1CCC([NH+]2CCCC2)CC1 ZINC000038101710 296102403 /nfs/dbraw/zinc/10/24/03/296102403.db2.gz ZVPUCXAGSPCWQE-CQSZACIVSA-N 2 0 265.401 1.215 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000417012891 242269165 /nfs/dbraw/zinc/26/91/65/242269165.db2.gz XXFAPSVXVDMJBV-CHWSQXEVSA-N 2 0 272.437 1.389 10 0 CDAERP CCCN(C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1)C1CC[NH2+]CC1 ZINC000627205828 367703027 /nfs/dbraw/zinc/70/30/27/367703027.db2.gz DWIPJRLLVDRJII-QWHCGFSZSA-N 2 0 282.432 1.301 10 0 CDAERP CCn1nc(C)c(C[NH2+]CC[C@H]2CCC[NH2+]C2)c1C ZINC000414855525 367685945 /nfs/dbraw/zinc/68/59/45/367685945.db2.gz WXZIVUBNBCBJIW-CQSZACIVSA-N 2 0 264.417 1.999 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638054175 367837798 /nfs/dbraw/zinc/83/77/98/367837798.db2.gz CVKYVSPFXUKWNO-TZMCWYRMSA-N 2 0 265.401 1.415 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCC[NH+](C)C1 ZINC000360072505 368102042 /nfs/dbraw/zinc/10/20/42/368102042.db2.gz AHMFXWUBJJUKGK-CABCVRRESA-N 2 0 281.444 1.661 10 0 CDAERP CC[C@@H]([NH3+])C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000037826180 368165757 /nfs/dbraw/zinc/16/57/57/368165757.db2.gz UWVPSSBULMIIQM-CYBMUJFWSA-N 2 0 253.390 1.058 10 0 CDAERP C[C@@H](CCC[NH3+])NC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418449116 243090007 /nfs/dbraw/zinc/09/00/07/243090007.db2.gz JWTIAHIRDXVTNZ-AAEUAGOBSA-N 2 0 264.373 1.113 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000418457552 243102368 /nfs/dbraw/zinc/10/23/68/243102368.db2.gz HCZQOUHHEXQLKE-CORIIIEPSA-N 2 0 290.411 1.633 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)N[C@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000418489930 243138996 /nfs/dbraw/zinc/13/89/96/243138996.db2.gz PAVKZKFZYZSKQZ-HZSPNIEDSA-N 2 0 282.432 1.110 10 0 CDAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000418586682 243243338 /nfs/dbraw/zinc/24/33/38/243243338.db2.gz ZXOIGNXUVDPSFG-STQMWFEESA-N 2 0 282.432 1.110 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC(C)(C)CCC[NH+](C)C ZINC000418598183 243258391 /nfs/dbraw/zinc/25/83/91/243258391.db2.gz QJMQSEAMABXEPH-OLZOCXBDSA-N 2 0 284.448 1.404 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)C1 ZINC000418599895 243260743 /nfs/dbraw/zinc/26/07/43/243260743.db2.gz RTUYKXJHWFSRFK-BFHYXJOUSA-N 2 0 282.432 1.110 10 0 CDAERP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1cccs1)[C@H](C)[NH3+] ZINC000418679933 243334260 /nfs/dbraw/zinc/33/42/60/243334260.db2.gz ABSUHVWEMGYAEJ-NWDGAFQWSA-N 2 0 298.456 1.557 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)N[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000418689834 243343513 /nfs/dbraw/zinc/34/35/13/243343513.db2.gz CGLGUICSJRUQBY-STQMWFEESA-N 2 0 284.448 1.486 10 0 CDAERP C(NC1=[NH+]CCCN1)[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000630387299 368854842 /nfs/dbraw/zinc/85/48/42/368854842.db2.gz MLZWJZHMFNZUNQ-ZDUSSCGKSA-N 2 0 250.390 1.332 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCCc3n[nH]cc32)CC1 ZINC000367618207 369200679 /nfs/dbraw/zinc/20/06/79/369200679.db2.gz SEHRMAFSJNUKGR-HIFRSBDPSA-N 2 0 291.443 1.403 10 0 CDAERP Cc1cnn(CC[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420378644 244172548 /nfs/dbraw/zinc/17/25/48/244172548.db2.gz BGXUCMKPKXRUFE-CABCVRRESA-N 2 0 262.401 1.656 10 0 CDAERP [NH3+][C@@H](c1cn(C[C@@H]2CCC[NH2+]2)nn1)c1ccc(F)cc1 ZINC000630605680 369386780 /nfs/dbraw/zinc/38/67/80/369386780.db2.gz MWUAZMAGIWFOAN-GXTWGEPZSA-N 2 0 275.331 1.217 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170830906 369512546 /nfs/dbraw/zinc/51/25/46/369512546.db2.gz DJGUYNJYVWPNGV-ZIAGYGMSSA-N 2 0 284.448 1.308 10 0 CDAERP O=C(CC[C@@H]1CC[NH2+]C1)N1CCC([NH+]2CCCC2)CC1 ZINC000134529979 369566782 /nfs/dbraw/zinc/56/67/82/369566782.db2.gz LPISNCLVMOPQNJ-CQSZACIVSA-N 2 0 279.428 1.463 10 0 CDAERP CC[N@H+](CC(=O)NCC[NH+]1CCCC[C@@H]1C)C1CC1 ZINC000135962068 369767412 /nfs/dbraw/zinc/76/74/12/369767412.db2.gz LEPZWALASGPROK-ZDUSSCGKSA-N 2 0 267.417 1.461 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000248888643 370109592 /nfs/dbraw/zinc/10/95/92/370109592.db2.gz VOMTYVYVYXRXBC-SQWLQELKSA-N 2 0 289.423 1.893 10 0 CDAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262325662 370361818 /nfs/dbraw/zinc/36/18/18/370361818.db2.gz DKDISTONFNPKAN-XQLPTFJDSA-N 2 0 279.428 1.460 10 0 CDAERP Cc1nccn1-c1ncccc1NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262316559 370362534 /nfs/dbraw/zinc/36/25/34/370362534.db2.gz BLDHAZMBQZMRIF-AAEUAGOBSA-N 2 0 299.378 1.902 10 0 CDAERP C[NH2+][C@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390734798 370554402 /nfs/dbraw/zinc/55/44/02/370554402.db2.gz GYSARPKGBDVQFX-HIFRSBDPSA-N 2 0 275.396 1.375 10 0 CDAERP COc1c(O)cccc1CN1CCC2(CC[NH2+]2)CC1 ZINC000422561985 245113734 /nfs/dbraw/zinc/11/37/34/245113734.db2.gz OSZAWNGUXVCMHB-UHFFFAOYSA-N 2 0 262.353 1.729 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@H](C)C[C@H]2COCCN2)CC1 ZINC000422740129 245200160 /nfs/dbraw/zinc/20/01/60/245200160.db2.gz MLXWWFCSCAIWLZ-ZBFHGGJFSA-N 2 0 283.460 1.465 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCc1cc(C)ccc1OC ZINC000422792193 245261402 /nfs/dbraw/zinc/26/14/02/245261402.db2.gz VRYOZPNZKGQCDS-HNNXBMFYSA-N 2 0 280.412 1.890 10 0 CDAERP CCC[NH+]1CCC(N[C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000422793780 245265520 /nfs/dbraw/zinc/26/55/20/245265520.db2.gz YHJFEDPZZGLZAT-HOTGVXAUSA-N 2 0 281.444 1.217 10 0 CDAERP CCOC(=O)C1([C@@H](C)[NH2+]CCCC[NH+](C)C)CC[NH2+]CC1 ZINC000422778424 245247281 /nfs/dbraw/zinc/24/72/81/245247281.db2.gz HKXYYEQDJSJCHY-CQSZACIVSA-N 3 0 299.459 1.239 10 0 CDAERP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H]1CCC[N@@H+]1C ZINC000422899181 245382201 /nfs/dbraw/zinc/38/22/01/245382201.db2.gz GXQLQVMTTDNDLX-BPUTZDHNSA-N 2 0 261.413 1.629 10 0 CDAERP CCC[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CCC)C1)[NH+](C)C ZINC000123226016 371335924 /nfs/dbraw/zinc/33/59/24/371335924.db2.gz DOPRPDYLPPXQFI-GJZGRUSLSA-N 2 0 283.460 1.907 10 0 CDAERP CC(C)[C@H](C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)[NH+](C)C ZINC000378223137 371879103 /nfs/dbraw/zinc/87/91/03/371879103.db2.gz GWHQJNAGXRSUNJ-QLFBSQMISA-N 2 0 281.444 1.563 10 0 CDAERP O=C(NC1CC1)[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000578136874 372309777 /nfs/dbraw/zinc/30/97/77/372309777.db2.gz IAHDLMWZQWLWLY-KRWDZBQOSA-N 2 0 299.418 1.575 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)Cc1cccc(OC)c1 ZINC000422953845 245434547 /nfs/dbraw/zinc/43/45/47/245434547.db2.gz GRRNFHFJMDPMSR-UKRRQHHQSA-N 2 0 280.412 1.970 10 0 CDAERP C[C@H](C[NH3+])C(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000367609112 372650489 /nfs/dbraw/zinc/65/04/89/372650489.db2.gz VAMBVANFYXSIBE-CHWSQXEVSA-N 2 0 253.390 1.058 10 0 CDAERP C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)C1=CC[N@H+](C)CC1 ZINC000514668815 372723520 /nfs/dbraw/zinc/72/35/20/372723520.db2.gz NSKDXZYKOFXSRC-SCZZXKLOSA-N 2 0 252.280 1.150 10 0 CDAERP CC(C)C[C@@H]([NH3+])C[NH2+]CCCOC[C@H]1CCCO1 ZINC000415086378 372818068 /nfs/dbraw/zinc/81/80/68/372818068.db2.gz JOOOETGHRKOBJU-ZIAGYGMSSA-N 2 0 258.406 1.535 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3nc[nH]c3C2)[C@H](C)C1 ZINC000353633910 372899065 /nfs/dbraw/zinc/89/90/65/372899065.db2.gz XZCAOGCGIXCAJJ-UPJWGTAASA-N 2 0 262.401 1.587 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC[NH2+]1 ZINC000333467665 205344278 /nfs/dbraw/zinc/34/42/78/205344278.db2.gz ADYYAIGWQMBXCL-QCEMKRCNSA-N 2 0 287.407 1.246 10 0 CDAERP CC[N@H+](CC(=O)N1CCC[C@@H]1C[NH+](C)C)C1CC1 ZINC000361858367 284388644 /nfs/dbraw/zinc/38/86/44/284388644.db2.gz REPDLXNVAJDYLF-CYBMUJFWSA-N 2 0 253.390 1.023 10 0 CDAERP [NH3+][C@H]1CCCCCN(CCOC2CCOCC2)C1 ZINC000631835680 373742663 /nfs/dbraw/zinc/74/26/63/373742663.db2.gz XBLUPZGZYBBZAL-ZDUSSCGKSA-N 2 0 256.390 1.385 10 0 CDAERP C[C@@H]1C[N@H+](CCC(=O)Nc2cccc(F)c2)C[C@@H]1C[NH3+] ZINC000631839674 373777974 /nfs/dbraw/zinc/77/79/74/373777974.db2.gz JJAXATKYTWYTJA-NEPJUHHUSA-N 2 0 279.359 1.681 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000342520020 374283253 /nfs/dbraw/zinc/28/32/53/374283253.db2.gz ZZRRKEUMRZCOFK-QXULXFAOSA-N 2 0 293.455 1.944 10 0 CDAERP [NH3+]CC1(CCNC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000652232020 541924370 /nfs/dbraw/zinc/92/43/70/541924370.db2.gz ODVZRUTVMSJNIY-KGLIPLIRSA-N 2 0 294.443 1.147 10 0 CDAERP [NH3+]CC1(CCNC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000652231930 541924488 /nfs/dbraw/zinc/92/44/88/541924488.db2.gz KWLNWLFUVKMNLL-AWEZNQCLSA-N 2 0 294.443 1.147 10 0 CDAERP O=C(NCCC[C@H]1CCC[NH2+]1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000418748798 374578320 /nfs/dbraw/zinc/57/83/20/374578320.db2.gz LIEOGHUZILRIEC-CABCVRRESA-N 2 0 292.427 1.174 10 0 CDAERP Cc1cc(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)on1 ZINC000631068827 374954954 /nfs/dbraw/zinc/95/49/54/374954954.db2.gz WSTNDCYPQLXMRT-ZDUSSCGKSA-N 2 0 267.373 1.310 10 0 CDAERP [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000334390194 375185771 /nfs/dbraw/zinc/18/57/71/375185771.db2.gz SWAOUBFYJWYVDC-HNNXBMFYSA-N 2 0 287.407 1.159 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC000638976343 376324738 /nfs/dbraw/zinc/32/47/38/376324738.db2.gz XFGABXTYCSISCZ-AWEZNQCLSA-N 2 0 267.417 1.461 10 0 CDAERP CCC[C@H]([NH3+])C(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000638975241 376327280 /nfs/dbraw/zinc/32/72/80/376327280.db2.gz HLAQMRWGVQZWGE-LBPRGKRZSA-N 2 0 255.406 1.447 10 0 CDAERP CC[NH+](CC)CC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000341073507 284575469 /nfs/dbraw/zinc/57/54/69/284575469.db2.gz VQXZKVFXDHAZEM-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP CCN(CC(F)(F)F)C(=O)CN1CCCC[C@H]1CC[NH3+] ZINC000631826141 376655322 /nfs/dbraw/zinc/65/53/22/376655322.db2.gz FVJJVQMDZHFHMM-NSHDSACASA-N 2 0 295.349 1.601 10 0 CDAERP C[C@H](NC(=O)N1CC[N@@H+]2CCC[C@H]2C1)C(C)(C)C[NH+](C)C ZINC000246421487 376774817 /nfs/dbraw/zinc/77/48/17/376774817.db2.gz VOOHYTCFEKLZKH-KBPBESRZSA-N 2 0 296.459 1.452 10 0 CDAERP [NH3+]CCCN(CCC[NH3+])C(=O)NC1CCCCC1 ZINC000631941014 376832197 /nfs/dbraw/zinc/83/21/97/376832197.db2.gz LXBNFPOVGMSRKA-UHFFFAOYSA-N 2 0 256.394 1.028 10 0 CDAERP CCC(C)(C)NC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000070074134 377001948 /nfs/dbraw/zinc/00/19/48/377001948.db2.gz XQJMGUJLCFEIRA-LBPRGKRZSA-N 2 0 255.406 1.352 10 0 CDAERP C[N@@H+]1CCC[C@H](CCNC(=O)N2CC[NH+]3CCC2CC3)C1 ZINC000334798444 377416617 /nfs/dbraw/zinc/41/66/17/377416617.db2.gz WRASPGZGHKHGGD-CQSZACIVSA-N 2 0 294.443 1.208 10 0 CDAERP [NH3+]CCN[C@H]1CCOc2c(Br)cccc21 ZINC000334967091 377740593 /nfs/dbraw/zinc/74/05/93/377740593.db2.gz LQVLSWRBJAWRII-JTQLQIEISA-N 2 0 271.158 1.821 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000633082468 378108822 /nfs/dbraw/zinc/10/88/22/378108822.db2.gz PZYUPFPRHWFAIA-AWEZNQCLSA-N 2 0 296.459 1.596 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)CC[C@@H](C)[NH3+])C1 ZINC000193314912 378273855 /nfs/dbraw/zinc/27/38/55/378273855.db2.gz OGNZIBBQKODXNW-OLZOCXBDSA-N 2 0 255.406 1.208 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)NC2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000173392767 378308786 /nfs/dbraw/zinc/30/87/86/378308786.db2.gz HUPHQONTHIITIH-TZMCWYRMSA-N 2 0 282.432 1.205 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000417709435 378354438 /nfs/dbraw/zinc/35/44/38/378354438.db2.gz OYMGMSLOPOUWDG-GJZGRUSLSA-N 2 0 296.459 1.774 10 0 CDAERP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)CCO1 ZINC000662323717 412892603 /nfs/dbraw/zinc/89/26/03/412892603.db2.gz PPBNWHBCSRVAAI-SJORKVTESA-N 2 0 298.471 1.970 10 0 CDAERP C[C@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H](C)C[NH2+]1 ZINC000417779573 378722364 /nfs/dbraw/zinc/72/23/64/378722364.db2.gz BJNPUIXWRCXYBN-UUQIVFDPSA-N 2 0 294.443 1.394 10 0 CDAERP CCOCC[NH+]1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000069818777 378854827 /nfs/dbraw/zinc/85/48/27/378854827.db2.gz MNDPVTLBHHQPBB-UHFFFAOYSA-N 2 0 292.427 1.302 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CCCSC1 ZINC000657574014 412906734 /nfs/dbraw/zinc/90/67/34/412906734.db2.gz WMVAHHOFJVMHSY-UONOGXRCSA-N 2 0 273.490 1.744 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cnn2c1CCC2 ZINC000657573539 412907892 /nfs/dbraw/zinc/90/78/92/412907892.db2.gz PNOZBFKDLWBBKV-AWEZNQCLSA-N 2 0 293.459 1.191 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000344178394 379298203 /nfs/dbraw/zinc/29/82/03/379298203.db2.gz LJJHOARZRNBQQZ-PMPSAXMXSA-N 2 0 295.471 1.955 10 0 CDAERP CCN(C(=O)N[C@@H](C)CC[NH+](C)C)[C@@H]1CC[N@H+](CC)C1 ZINC000663849575 412911967 /nfs/dbraw/zinc/91/19/67/412911967.db2.gz KWLKLMHDGVFLOW-UONOGXRCSA-N 2 0 284.448 1.452 10 0 CDAERP COC[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657596618 412924900 /nfs/dbraw/zinc/92/49/00/412924900.db2.gz PACMKAOWGAMROB-XJKSGUPXSA-N 2 0 278.396 1.378 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)N(C)CC2C[NH+](C)C2)CC1 ZINC000663893544 412940510 /nfs/dbraw/zinc/94/05/10/412940510.db2.gz UNWDYVZHNMOLIG-UHFFFAOYSA-N 2 0 296.459 1.454 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000662386425 412947468 /nfs/dbraw/zinc/94/74/68/412947468.db2.gz IFZUSMZNWNDNFX-KFWWJZLASA-N 2 0 299.459 1.223 10 0 CDAERP O=C(C[C@@H]1[NH2+]Cc2ccccc21)NCCNc1cc[nH+]cc1 ZINC000662394757 412955822 /nfs/dbraw/zinc/95/58/22/412955822.db2.gz MEXVTYDJZIDRQY-INIZCTEOSA-N 2 0 296.374 1.266 10 0 CDAERP CC(C)[NH2+]CCCNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662409973 412976843 /nfs/dbraw/zinc/97/68/43/412976843.db2.gz NYEQDGHJXNANBC-UHFFFAOYSA-N 2 0 253.390 1.165 10 0 CDAERP OC(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)(C1CC1)C1CC1 ZINC000657699678 412986509 /nfs/dbraw/zinc/98/65/09/412986509.db2.gz NJGGKKQJKHTWCL-CABCVRRESA-N 2 0 264.413 1.754 10 0 CDAERP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000648140853 390174043 /nfs/dbraw/zinc/17/40/43/390174043.db2.gz NIAYUYUQOBCUAU-CYBMUJFWSA-N 2 0 274.368 1.020 10 0 CDAERP C[NH+](C)Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1 ZINC000646920571 390290699 /nfs/dbraw/zinc/29/06/99/390290699.db2.gz RXWYEDIEMDYYIF-HOTGVXAUSA-N 2 0 287.407 1.524 10 0 CDAERP CC[C@@H]1CN(C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC[C@H]1[NH3+] ZINC000647015149 390354532 /nfs/dbraw/zinc/35/45/32/390354532.db2.gz JAIBQFLUGSKREA-KBUPBQIOSA-N 2 0 281.444 1.870 10 0 CDAERP C[C@]1(C[N@H+](CCO)CCc2ccccc2)CC[NH2+]C1 ZINC000647516353 390646912 /nfs/dbraw/zinc/64/69/12/390646912.db2.gz HKTCMKMAGCJBJZ-INIZCTEOSA-N 2 0 262.397 1.523 10 0 CDAERP C[N@@H+]1C[C@@H](C[NH2+]CC2(C)COC2)[C@H](c2ccccc2)C1 ZINC000647249395 390658568 /nfs/dbraw/zinc/65/85/68/390658568.db2.gz XKIUNWXHZSNTAZ-CVEARBPZSA-N 2 0 274.408 1.958 10 0 CDAERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CCCC(C)(C)C2)CC1 ZINC000573914706 390660363 /nfs/dbraw/zinc/66/03/63/390660363.db2.gz PQHQCQGAGXTXSV-LSDHHAIUSA-N 2 0 283.460 1.153 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+][C@H]2COC3(CCC3)C2)CC1 ZINC000657832519 413047645 /nfs/dbraw/zinc/04/76/45/413047645.db2.gz FKNLPBFBEQUUQJ-OAHLLOKOSA-N 2 0 281.444 1.315 10 0 CDAERP COc1cc(C)c(CNC[C@](C)(O)C[NH+](C)C)c(C)n1 ZINC000358989956 390878385 /nfs/dbraw/zinc/87/83/85/390878385.db2.gz KTLVCIKDJGMKCZ-HNNXBMFYSA-N 2 0 281.400 1.109 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000237509850 390845475 /nfs/dbraw/zinc/84/54/75/390845475.db2.gz IYTRARABKHRXGT-KBPBESRZSA-N 2 0 279.428 1.367 10 0 CDAERP CC[N@H+](C)C[C@H]1CCN([C@H](C(=O)OC)C2CC2)C1 ZINC000359614104 390936789 /nfs/dbraw/zinc/93/67/89/390936789.db2.gz XUNDWSQLMKADMR-YPMHNXCESA-N 2 0 254.374 1.212 10 0 CDAERP C[C@@H]([NH2+]CCCC[NH+]1CCOCC1)C1CCOCC1 ZINC000158854674 390937440 /nfs/dbraw/zinc/93/74/40/390937440.db2.gz MEVICJZIQNKGFG-CQSZACIVSA-N 2 0 270.417 1.504 10 0 CDAERP CCC[NH2+][C@@H](C)C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000648209878 390952509 /nfs/dbraw/zinc/95/25/09/390952509.db2.gz DRXULGKUVMPZRQ-NWDGAFQWSA-N 2 0 253.390 1.165 10 0 CDAERP O=C(CC[C@@H]1CCC[NH2+]1)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648210100 390952527 /nfs/dbraw/zinc/95/25/27/390952527.db2.gz JUWZVMCZFJANEN-STQMWFEESA-N 2 0 265.401 1.310 10 0 CDAERP [NH3+]Cc1cc(C(=O)N[C@@H]2CC[NH2+]C23CCCC3)co1 ZINC000648210299 390952860 /nfs/dbraw/zinc/95/28/60/390952860.db2.gz PCHKYHOMLAEFKD-GFCCVEGCSA-N 2 0 263.341 1.143 10 0 CDAERP [NH3+][C@@H]1CC[C@@H](C(=O)N2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000237935706 390891858 /nfs/dbraw/zinc/89/18/58/390891858.db2.gz NQFLUBQQHMXQQM-HZPDHXFCSA-N 2 0 293.455 1.838 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000181124079 390913770 /nfs/dbraw/zinc/91/37/70/390913770.db2.gz ACECXRBKBFDKHR-LSDHHAIUSA-N 2 0 253.434 1.887 10 0 CDAERP C[C@]1(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)CC[NH2+]C1 ZINC000647479948 390966789 /nfs/dbraw/zinc/96/67/89/390966789.db2.gz YPIVJFASYJTWRR-ZNMIVQPWSA-N 2 0 251.418 1.450 10 0 CDAERP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CC1(F)CC1 ZINC000527221677 391005881 /nfs/dbraw/zinc/00/58/81/391005881.db2.gz FNIIEZRAWIQGDD-AGIUHOORSA-N 2 0 256.365 1.672 10 0 CDAERP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(C[NH3+])cc1 ZINC000186457378 391068664 /nfs/dbraw/zinc/06/86/64/391068664.db2.gz RODVLFNMNFPFPK-DOMZBBRYSA-N 2 0 275.396 1.558 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](CCN2CCO[C@H](C)C2)CC1 ZINC000337341338 391114335 /nfs/dbraw/zinc/11/43/35/391114335.db2.gz UMPBLBSUHNNSLS-MRXNPFEDSA-N 2 0 297.487 1.761 10 0 CDAERP C[C@@H]1CN(C)C[C@H]1[NH2+][C@@H]1CCN(CC(F)(F)F)C1 ZINC000532464552 391201277 /nfs/dbraw/zinc/20/12/77/391201277.db2.gz GFBNOUPVVLUQCX-GMTAPVOTSA-N 2 0 265.323 1.163 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@@H]2CCC[NH2+]2)cc1 ZINC000418361063 391407175 /nfs/dbraw/zinc/40/71/75/391407175.db2.gz GPZYMHFZXMQZLW-RISCZKNCSA-N 2 0 276.384 1.258 10 0 CDAERP CCC[C@H]1C[NH2+]CCN1C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000417013921 391339647 /nfs/dbraw/zinc/33/96/47/391339647.db2.gz ZFZSEXHLJDNFCD-KGLIPLIRSA-N 2 0 284.448 1.500 10 0 CDAERP C[C@@H]1CC[C@@]2(CC[N@H+](C[C@@H]3CCCN(C(=O)C[NH3+])C3)C2)C1 ZINC000414719428 391352810 /nfs/dbraw/zinc/35/28/10/391352810.db2.gz YQIWRJQJUFGLGO-HLLBOEOZSA-N 2 0 293.455 1.696 10 0 CDAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000418035923 391355609 /nfs/dbraw/zinc/35/56/09/391355609.db2.gz YLNJWQSHZCADNW-UONOGXRCSA-N 2 0 296.459 1.406 10 0 CDAERP C[N@@H+]1C[C@@H]2CCCN(C(=O)CC[C@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC000425318614 391368579 /nfs/dbraw/zinc/36/85/79/391368579.db2.gz BCBYAAHRQHTITF-ARFHVFGLSA-N 2 0 293.455 1.804 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)CCOC2)[C@@H]2CCC[C@@H]21 ZINC000353534694 391396027 /nfs/dbraw/zinc/39/60/27/391396027.db2.gz ZAQJUGKMOYBSGP-AJNGGQMLSA-N 2 0 252.402 1.875 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CC1CC[NH+](C)CC1 ZINC000347513367 391396278 /nfs/dbraw/zinc/39/62/78/391396278.db2.gz DJUWYQRLWYFTQT-GJZGRUSLSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[C@@H](C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C)[NH+](C)C ZINC000425940681 391438125 /nfs/dbraw/zinc/43/81/25/391438125.db2.gz AHYKLHZSUQYEFC-KKUMJFAQSA-N 2 0 283.460 1.952 10 0 CDAERP O[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)Cc1ccccc1 ZINC000647786426 391452838 /nfs/dbraw/zinc/45/28/38/391452838.db2.gz OXOZZSNGWZEAAE-HZMVEIRTSA-N 2 0 274.408 1.568 10 0 CDAERP C[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1)[C@@H]([NH3+])c1ccccc1 ZINC000417839356 391504075 /nfs/dbraw/zinc/50/40/75/391504075.db2.gz NRVYAWUJINIILK-IARIHHJXSA-N 2 0 289.423 1.766 10 0 CDAERP CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000417844586 391508081 /nfs/dbraw/zinc/50/80/81/391508081.db2.gz OASVQVNADOKNHR-KBPBESRZSA-N 2 0 298.475 1.779 10 0 CDAERP C[C@H]1CC(C)(C)C[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000412036222 391565831 /nfs/dbraw/zinc/56/58/31/391565831.db2.gz GSQSESWDGHOKQF-ZDUSSCGKSA-N 2 0 293.455 1.850 10 0 CDAERP C[NH+](CCCO)Cc1cc(C[N@H+](C)CCCO)ccc1F ZINC000295127541 391673221 /nfs/dbraw/zinc/67/32/21/391673221.db2.gz BVKNKRJFDNOWGL-UHFFFAOYSA-N 2 0 298.402 1.454 10 0 CDAERP C[C@@H](NC(=O)NCCCCC[NH+]1CCCCC1)[C@H](C)[NH3+] ZINC000417697156 391750712 /nfs/dbraw/zinc/75/07/12/391750712.db2.gz CLTSGGGONZRRET-UONOGXRCSA-N 2 0 284.448 1.678 10 0 CDAERP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@H](C)[C@@H](C)[NH3+])c1ccco1 ZINC000418161415 391771200 /nfs/dbraw/zinc/77/12/00/391771200.db2.gz FGEZGNXQVNOPQR-UMSGYPCISA-N 2 0 296.415 1.744 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000418205738 391807602 /nfs/dbraw/zinc/80/76/02/391807602.db2.gz ZSRRFWCICDVROR-IJLUTSLNSA-N 2 0 258.410 1.142 10 0 CDAERP COC[C@H](C)CNc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000526112902 391830982 /nfs/dbraw/zinc/83/09/82/391830982.db2.gz GZUVJZUOQDWFGQ-CYBMUJFWSA-N 2 0 278.400 1.528 10 0 CDAERP COCC[N@@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000246986164 391894100 /nfs/dbraw/zinc/89/41/00/391894100.db2.gz KJMNTEFLZBSVPR-RBSFLKMASA-N 2 0 269.433 1.170 10 0 CDAERP C[NH+]1CCC2(CC1)C[N@H+](CCOCC1CC1)CCO2 ZINC000646104238 392012880 /nfs/dbraw/zinc/01/28/80/392012880.db2.gz DNVTVGAAQDEYPX-UHFFFAOYSA-N 2 0 268.401 1.210 10 0 CDAERP CCC[N@H+](CCC(=O)N1CC[NH2+]CC1)C[C@@H]1CCCCO1 ZINC000262217999 392037268 /nfs/dbraw/zinc/03/72/68/392037268.db2.gz UGZUWBBNBCSBEV-HNNXBMFYSA-N 2 0 297.443 1.089 10 0 CDAERP CC(C)(C)[C@H](O)C[C@H](CO)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000342822300 392047218 /nfs/dbraw/zinc/04/72/18/392047218.db2.gz FXQNBNZIJZISRQ-GBJTYRQASA-N 2 0 284.444 1.361 10 0 CDAERP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2O)cc1 ZINC000648841507 392057581 /nfs/dbraw/zinc/05/75/81/392057581.db2.gz QXRPQBCOAZNNJI-DOTOQJQBSA-N 2 0 292.423 1.878 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N(C)C[C@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000422030137 392183230 /nfs/dbraw/zinc/18/32/30/392183230.db2.gz ADCAROKGMXFADN-MELADBBJSA-N 2 0 267.417 1.269 10 0 CDAERP CO[C@H](CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)C(F)(F)F ZINC000423065030 392310177 /nfs/dbraw/zinc/31/01/77/392310177.db2.gz ATNXTYBOCBSUTB-LPEHRKFASA-N 2 0 254.296 1.684 10 0 CDAERP C[C@H]([NH2+][C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1)C1C[NH2+]C1 ZINC000423025702 392282620 /nfs/dbraw/zinc/28/26/20/392282620.db2.gz PDJZTTYHXGXTAB-HNHYXYPQSA-N 2 0 295.377 1.908 10 0 CDAERP C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1)C1C[NH2+]C1 ZINC000423025701 392283257 /nfs/dbraw/zinc/28/32/57/392283257.db2.gz PDJZTTYHXGXTAB-CIISACIHSA-N 2 0 295.377 1.908 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C ZINC000423110254 392351811 /nfs/dbraw/zinc/35/18/11/392351811.db2.gz VIZHQGWAAJHKII-AYDFFVQHSA-N 2 0 289.423 1.891 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CC(=O)N(Cc2ccccc2)[C@H]1C ZINC000423110257 392351464 /nfs/dbraw/zinc/35/14/64/392351464.db2.gz VIZHQGWAAJHKII-YXWQFLTLSA-N 2 0 289.423 1.891 10 0 CDAERP Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@@H]([NH3+])C3)C2)n(C)n1 ZINC000568107166 392367020 /nfs/dbraw/zinc/36/70/20/392367020.db2.gz DVYHRACQBOVCIN-KFWWJZLASA-N 2 0 291.443 1.557 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCN(c2ccccc2F)C1 ZINC000423137336 392375006 /nfs/dbraw/zinc/37/50/06/392375006.db2.gz WCUGHJPHBPGZIO-ZIAGYGMSSA-N 2 0 295.402 1.748 10 0 CDAERP COC[C@](C)(O)CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423144463 392382808 /nfs/dbraw/zinc/38/28/08/392382808.db2.gz GZDHHFKGRMYLFR-KLHDSHLOSA-N 2 0 284.444 1.674 10 0 CDAERP [NH3+]Cc1ccc(C(=O)NC2CC([NH+]3CCCCC3)C2)o1 ZINC000646469827 392468559 /nfs/dbraw/zinc/46/85/59/392468559.db2.gz VHMLAVUILYSGFZ-UHFFFAOYSA-N 2 0 277.368 1.485 10 0 CDAERP CC[C@H](Cn1cncn1)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000423276943 392483615 /nfs/dbraw/zinc/48/36/15/392483615.db2.gz NPVKDSUJGDOFAT-UPJWGTAASA-N 2 0 251.378 1.164 10 0 CDAERP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]CCC[NH3+])c1 ZINC000437766195 392488794 /nfs/dbraw/zinc/48/87/94/392488794.db2.gz VCQDSEVZVLFUGV-NSHDSACASA-N 2 0 293.367 1.129 10 0 CDAERP C[C@H](C[C@H]1COCCN1)[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000423292916 392490534 /nfs/dbraw/zinc/49/05/34/392490534.db2.gz OYJJOXIYTLHETH-WWGRRREGSA-N 2 0 277.412 1.563 10 0 CDAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](NCC2C[NH2+]C2)C3)cc1 ZINC000423303167 392498648 /nfs/dbraw/zinc/49/86/48/392498648.db2.gz LECHJZOOQQCPKX-NNZMDNLPSA-N 2 0 285.435 1.991 10 0 CDAERP CC[NH+](CC)CCNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000127758930 392627518 /nfs/dbraw/zinc/62/75/18/392627518.db2.gz MAAAHRWBAMNNSP-CABCVRRESA-N 2 0 298.475 1.700 10 0 CDAERP C[NH2+]C1CCN(C(=O)C[C@H](C)C2CC[NH2+]CC2)CC1 ZINC000646732601 392701838 /nfs/dbraw/zinc/70/18/38/392701838.db2.gz YABUJEHPGPWYBA-LBPRGKRZSA-N 2 0 267.417 1.223 10 0 CDAERP COc1nccnc1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000449229835 392719348 /nfs/dbraw/zinc/71/93/48/392719348.db2.gz FJSROLMQOUASML-UHFFFAOYSA-N 2 0 264.373 1.307 10 0 CDAERP C[C@H](C[NH2+][C@H]1COC2(CCC2)C1)CN1CC[NH+](C)CC1 ZINC000657870839 413063722 /nfs/dbraw/zinc/06/37/22/413063722.db2.gz QSCYUTDQEWYSHJ-HUUCEWRRSA-N 2 0 281.444 1.171 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1C(C)C ZINC001663547200 1172721111 /nfs/dbraw/zinc/72/11/11/1172721111.db2.gz BGELJVQBFKANLW-ZDUSSCGKSA-N 2 0 255.406 1.316 10 0 CDAERP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCCSCC2)CC1 ZINC000657899373 413077848 /nfs/dbraw/zinc/07/78/48/413077848.db2.gz UJCVQUBQZOECPE-CQSZACIVSA-N 2 0 285.501 1.888 10 0 CDAERP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)C1CCSCC1 ZINC000187050012 140074177 /nfs/dbraw/zinc/07/41/77/140074177.db2.gz FLHPKFUVEAQUQC-UKRRQHHQSA-N 2 0 286.485 1.955 10 0 CDAERP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)N(C)C)C2)[nH+]1 ZINC000195516126 140157658 /nfs/dbraw/zinc/15/76/58/140157658.db2.gz GYPKYVSFQKEQBZ-CYBMUJFWSA-N 2 0 276.384 1.212 10 0 CDAERP c1ccc(CN2CC[C@@H]([NH2+][C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000252791939 140326577 /nfs/dbraw/zinc/32/65/77/140326577.db2.gz USGYYYWBDXDWKA-DLBZAZTESA-N 2 0 273.424 1.993 10 0 CDAERP C[C@@H](NC(=O)C1C[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261549136 140345424 /nfs/dbraw/zinc/34/54/24/140345424.db2.gz OFUSOYGKPUAHFD-UKRRQHHQSA-N 2 0 287.407 1.233 10 0 CDAERP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)C(F)(F)F ZINC000261572736 140352315 /nfs/dbraw/zinc/35/23/15/140352315.db2.gz URGPWIHLRAANDL-DDHJBXDOSA-N 2 0 280.334 1.810 10 0 CDAERP CC(C)c1nc(CN(C)[C@H]2CCN(CC(C)(C)[NH3+])C2)no1 ZINC000261638653 140367854 /nfs/dbraw/zinc/36/78/54/140367854.db2.gz ABVRUILBLFYIOF-LBPRGKRZSA-N 2 0 295.431 1.436 10 0 CDAERP C[C@]1(C[NH3+])CC[N@H+](CCOCCOc2ccccc2)C1 ZINC000261782697 140388937 /nfs/dbraw/zinc/38/89/37/140388937.db2.gz NBMDGYFPCURYJL-MRXNPFEDSA-N 2 0 278.396 1.753 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CCC[C@H]2[NH3+])[C@H](C)C1 ZINC000261839229 140396652 /nfs/dbraw/zinc/39/66/52/140396652.db2.gz UWCZXPIJXIGYTH-LXTVHRRPSA-N 2 0 281.444 1.693 10 0 CDAERP Cc1ccccc1NC(=O)CN1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261845162 140398247 /nfs/dbraw/zinc/39/82/47/140398247.db2.gz WECUMWIXESVGJC-CQSZACIVSA-N 2 0 275.396 1.993 10 0 CDAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000263289256 140464997 /nfs/dbraw/zinc/46/49/97/140464997.db2.gz VKSOHMZONIXDKA-DMRZNYOFSA-N 2 0 278.371 1.632 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656200431 413097914 /nfs/dbraw/zinc/09/79/14/413097914.db2.gz PIBZVYRULHSJQC-DGXTUMSLSA-N 2 0 283.460 1.462 10 0 CDAERP C[NH+](C)CCN(C(=O)C[C@@H]1[NH2+]Cc2ccccc21)C1CC1 ZINC000662543354 413111147 /nfs/dbraw/zinc/11/11/47/413111147.db2.gz ZWKNURBGUOKWGP-INIZCTEOSA-N 2 0 287.407 1.774 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000662594782 413166236 /nfs/dbraw/zinc/16/62/36/413166236.db2.gz WEGRQZOBTUPTRI-BBRMVZONSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[C@H]2C[NH+](C)C[C@H]21 ZINC000649638837 397886137 /nfs/dbraw/zinc/88/61/37/397886137.db2.gz XUNOMFLOMVNUAR-ARFHVFGLSA-N 2 0 265.445 1.885 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1CC[NH+]2CCC1CC2 ZINC000651195690 397871481 /nfs/dbraw/zinc/87/14/81/397871481.db2.gz VPUUTOGIKJLPND-UHFFFAOYSA-N 2 0 296.459 1.454 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)C2CCC([NH3+])CC2)CC1 ZINC000037626863 398097582 /nfs/dbraw/zinc/09/75/82/398097582.db2.gz ANTHXQFPTPUBIF-UHFFFAOYSA-N 2 0 281.444 1.885 10 0 CDAERP [NH3+]Cc1ccc(C(=O)NCC[N@H+]2CC=CCC2)cc1 ZINC000392841435 398121065 /nfs/dbraw/zinc/12/10/65/398121065.db2.gz SRYQLAQMXLTOGU-UHFFFAOYSA-N 2 0 259.353 1.137 10 0 CDAERP CC(C)CC[NH2+]CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001663981421 1172798099 /nfs/dbraw/zinc/79/80/99/1172798099.db2.gz GOORZCNPEQXYCA-UHFFFAOYSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CCSC1 ZINC000658106778 413207686 /nfs/dbraw/zinc/20/76/86/413207686.db2.gz CFMFOPHHIVMOMC-STQMWFEESA-N 2 0 259.463 1.354 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)C1CCOCC1 ZINC000658109716 413210451 /nfs/dbraw/zinc/21/04/51/413210451.db2.gz VKYHMNZTPOQBBH-GJZGRUSLSA-N 2 0 285.476 1.663 10 0 CDAERP CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+][C@H](C)C2CC[NH+](C)CC2)C1 ZINC000658112627 413210329 /nfs/dbraw/zinc/21/03/29/413210329.db2.gz CCZQAKMFTWNOJQ-XLNGHYISSA-N 2 0 298.471 1.872 10 0 CDAERP C[C@@H](CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)C[NH+]1CCCC1 ZINC000654388823 413216264 /nfs/dbraw/zinc/21/62/64/413216264.db2.gz UNTMQWBFTOYVOJ-SOUVJXGZSA-N 2 0 296.459 1.358 10 0 CDAERP Cc1ncccc1C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000179517551 148117720 /nfs/dbraw/zinc/11/77/20/148117720.db2.gz MUAJUKBILRDBBN-AWEZNQCLSA-N 2 0 291.439 1.915 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1C[C@H]([NH3+])[C@@H](C)C1 ZINC000262104945 149018768 /nfs/dbraw/zinc/01/87/68/149018768.db2.gz VWRAGGQFFXTEHK-NHYWBVRUSA-N 2 0 271.368 1.355 10 0 CDAERP Cc1ccc2cc(C[NH2+]C[C@H]3C[NH2+]C[C@@H]3O)ccc2n1 ZINC000262199462 149034367 /nfs/dbraw/zinc/03/43/67/149034367.db2.gz ZZLROFPYKAISRM-HOCLYGCPSA-N 2 0 271.364 1.213 10 0 CDAERP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000262353787 149051076 /nfs/dbraw/zinc/05/10/76/149051076.db2.gz HQMBCBPHTXDRFC-WCVJEAGWSA-N 2 0 295.471 1.859 10 0 CDAERP C[C@H]1C[C@@H](N(C)C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@@H+]1C ZINC000262653671 149090748 /nfs/dbraw/zinc/09/07/48/149090748.db2.gz BJEHYQFXWDOXGE-IXIBIKRGSA-N 2 0 293.455 1.848 10 0 CDAERP Cc1ccccc1NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000314664319 149255740 /nfs/dbraw/zinc/25/57/40/149255740.db2.gz AZLINZFHDUOMOU-GASCZTMLSA-N 2 0 287.407 1.865 10 0 CDAERP C[C@@H](CCNC(=O)C[C@@H]1[NH2+]Cc2ccccc21)[NH+](C)C ZINC000662636119 413234466 /nfs/dbraw/zinc/23/44/66/413234466.db2.gz XVMNEYGKMPIFEN-WFASDCNBSA-N 2 0 275.396 1.677 10 0 CDAERP CC1=CC[N@H+](CCNC(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000335186898 150385754 /nfs/dbraw/zinc/38/57/54/150385754.db2.gz YQOFKPLPYICVAC-KBPBESRZSA-N 2 0 280.416 1.030 10 0 CDAERP [NH3+]C1(CNC(=O)c2cc(-n3ccnc3)ccn2)CCCC1 ZINC000662649935 413249939 /nfs/dbraw/zinc/24/99/39/413249939.db2.gz YEGYAMIMRHWACG-UHFFFAOYSA-N 2 0 285.351 1.269 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000336103572 151270709 /nfs/dbraw/zinc/27/07/09/151270709.db2.gz KDMADWPFVQPNFR-QMTHXVAHSA-N 2 0 259.353 1.018 10 0 CDAERP C[NH+](C)CC(C)(C)CNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662661875 413267135 /nfs/dbraw/zinc/26/71/35/413267135.db2.gz VZBDNWRHHCBRCW-UHFFFAOYSA-N 2 0 267.417 1.352 10 0 CDAERP [NH3+]Cc1ccc(-c2cn(C3CC[NH2+]CC3)nn2)cc1 ZINC000656456683 413283883 /nfs/dbraw/zinc/28/38/83/413283883.db2.gz IRVHWVQWTNUBFX-UHFFFAOYSA-N 2 0 257.341 1.328 10 0 CDAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CC(OC)C2)[C@@H](C)C1 ZINC000349725292 154197169 /nfs/dbraw/zinc/19/71/69/154197169.db2.gz WXPXJULHUXGXBV-SLTXQBBLSA-N 2 0 284.444 1.890 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000662680808 413304445 /nfs/dbraw/zinc/30/44/45/413304445.db2.gz YVSMDDFXFIBQOM-LSDHHAIUSA-N 2 0 299.459 1.365 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2CCO)[C@@H]2CCC[C@H]21 ZINC000353675638 156004090 /nfs/dbraw/zinc/00/40/90/156004090.db2.gz VUENAQFIPXTQOU-DGADGQDISA-N 2 0 266.429 2.000 10 0 CDAERP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000662694350 413326650 /nfs/dbraw/zinc/32/66/50/413326650.db2.gz PSCUNAMCWAKSEB-KKUMJFAQSA-N 2 0 281.444 1.611 10 0 CDAERP [NH3+]Cc1cccc(-c2cn([C@H]3CCC[NH2+]C3)nn2)c1 ZINC000656468782 413329136 /nfs/dbraw/zinc/32/91/36/413329136.db2.gz SHUFHZOCTUUVNY-ZDUSSCGKSA-N 2 0 257.341 1.328 10 0 CDAERP C[NH+]1CCC(CNC(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000662699448 413339559 /nfs/dbraw/zinc/33/95/59/413339559.db2.gz ALLNTTPRSWTFHH-UHFFFAOYSA-N 2 0 265.401 1.119 10 0 CDAERP CCSCC[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000355738698 157210409 /nfs/dbraw/zinc/21/04/09/157210409.db2.gz BZGDFOFLZAAQRX-UHFFFAOYSA-N 2 0 260.447 1.564 10 0 CDAERP [NH3+]C1(CC(=O)N2CCC[N@@H+](C3CCCC3)CC2)CC1 ZINC000662708154 413357035 /nfs/dbraw/zinc/35/70/35/413357035.db2.gz PLNAYPYCPBEKGO-UHFFFAOYSA-N 2 0 265.401 1.345 10 0 CDAERP CC1(C)CC[NH2+][C@H]1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000662712090 413365119 /nfs/dbraw/zinc/36/51/19/413365119.db2.gz QWATZPCUDQSDNC-ZDUSSCGKSA-N 2 0 285.351 1.594 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662711073 413365264 /nfs/dbraw/zinc/36/52/64/413365264.db2.gz LRFVRFHIJWCDBU-UHFFFAOYSA-N 2 0 253.390 1.118 10 0 CDAERP CC[C@](C)(O)C[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000660697704 413381312 /nfs/dbraw/zinc/38/13/12/413381312.db2.gz IZCBVRXCBYTXCA-AWEZNQCLSA-N 2 0 272.433 1.220 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)CC1([NH3+])CC1 ZINC000662731791 413398830 /nfs/dbraw/zinc/39/88/30/413398830.db2.gz BSVPEPPQWGUPQV-GFCCVEGCSA-N 2 0 253.390 1.249 10 0 CDAERP CC[C@@H](C)[NH2+][C@H](CNC(=O)NCCC[NH3+])c1ccco1 ZINC000418170045 286786351 /nfs/dbraw/zinc/78/63/51/286786351.db2.gz RBWDPORXFYDORI-VXGBXAGGSA-N 2 0 282.388 1.357 10 0 CDAERP CC[C@H]([NH2+]C)C(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000662743980 413415958 /nfs/dbraw/zinc/41/59/58/413415958.db2.gz BFTMJOPNUXBXLT-RWMBFGLXSA-N 2 0 255.406 1.173 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000019438301 170800894 /nfs/dbraw/zinc/80/08/94/170800894.db2.gz NSMTZHLJPVDKBQ-SOUVJXGZSA-N 2 0 281.444 1.755 10 0 CDAERP CCC[NH+]1CCN([C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000020179518 171044494 /nfs/dbraw/zinc/04/44/94/171044494.db2.gz ZUUNMBRNUSSIBL-OAHLLOKOSA-N 2 0 265.376 1.853 10 0 CDAERP C[NH+](C)[C@H](CC[NH3+])COc1ccc2c(c1)OCO2 ZINC000020401619 171182451 /nfs/dbraw/zinc/18/24/51/171182451.db2.gz UZTUUXMIHYESJZ-SNVBAGLBSA-N 2 0 252.314 1.073 10 0 CDAERP [NH3+]C[C@@]1(N2CCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000020596054 171264863 /nfs/dbraw/zinc/26/48/63/171264863.db2.gz JKWVJIUXLIYEPO-INIZCTEOSA-N 2 0 259.397 1.686 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000653210676 412140161 /nfs/dbraw/zinc/14/01/61/412140161.db2.gz FLYZPZDXEXEDIP-CQSZACIVSA-N 2 0 261.369 1.022 10 0 CDAERP C[C@H](C(=O)NCCC1(C[NH3+])CC1)[NH+]1CCCCCC1 ZINC000653221300 412148185 /nfs/dbraw/zinc/14/81/85/412148185.db2.gz QREVEZTZPDZBQP-CYBMUJFWSA-N 2 0 267.417 1.496 10 0 CDAERP C[C@H]1CCCN(C(=O)COC2CCC([NH3+])CC2)[C@@H]1CC[NH3+] ZINC000653241128 412159533 /nfs/dbraw/zinc/15/95/33/412159533.db2.gz YAUKMXOFWXVQPG-VXGQWTEUSA-N 2 0 297.443 1.249 10 0 CDAERP [NH3+]C1(CC(=O)NC2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000662792217 413510189 /nfs/dbraw/zinc/51/01/89/413510189.db2.gz ZTUXWQZPYJTPFM-UHFFFAOYSA-N 2 0 288.395 1.044 10 0 CDAERP CCO[C@@H]1C[N@H+](C[C@H]2CCOc3ccccc32)C[C@H]1C[NH3+] ZINC000405425848 413585784 /nfs/dbraw/zinc/58/57/84/413585784.db2.gz GGPGXVKZEJSJDB-CKEIUWERSA-N 2 0 290.407 1.848 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000662867725 413627405 /nfs/dbraw/zinc/62/74/05/413627405.db2.gz NMQYPHSHSDODPE-BPLDGKMQSA-N 2 0 275.396 1.376 10 0 CDAERP C[C@@]1(CNc2ccc([C@@H]3C[NH2+]CCO3)cc2)CC[NH2+]C1 ZINC000656794344 413660192 /nfs/dbraw/zinc/66/01/92/413660192.db2.gz ZARUZZJKJTXGNG-JKSUJKDBSA-N 2 0 275.396 1.759 10 0 CDAERP CC1CC[NH+](CCCNC(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000659430657 413811370 /nfs/dbraw/zinc/81/13/70/413811370.db2.gz GZVLMOYJFLFAMJ-UHFFFAOYSA-N 2 0 294.443 1.241 10 0 CDAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CCO1 ZINC000662973595 413764678 /nfs/dbraw/zinc/76/46/78/413764678.db2.gz RTZYHXBRCCSQAC-RRFJBIMHSA-N 2 0 297.443 1.073 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000659437918 413822509 /nfs/dbraw/zinc/82/25/09/413822509.db2.gz SDNOYSCKKDTENA-RDBSUJKOSA-N 2 0 282.432 1.286 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659447878 413833447 /nfs/dbraw/zinc/83/34/47/413833447.db2.gz ZWBIOJIYUQXLKV-UHFFFAOYSA-N 2 0 296.459 1.679 10 0 CDAERP C[NH+](C)CC[C@H](NC(=O)NCC12CC(C1)C[NH2+]2)C(C)(C)C ZINC000659456629 413844481 /nfs/dbraw/zinc/84/44/81/413844481.db2.gz PPELDMTVKBJGPH-UYJPIKCFSA-N 2 0 296.459 1.404 10 0 CDAERP CC(C)C[C@@H](C[NH3+])NC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659523587 413920626 /nfs/dbraw/zinc/92/06/26/413920626.db2.gz VXYKJBYMTOFGIR-NWDGAFQWSA-N 2 0 258.410 1.032 10 0 CDAERP CO[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)[C@H]1CCOC1 ZINC000665234638 413959369 /nfs/dbraw/zinc/95/93/69/413959369.db2.gz HQLOHHPHXVUDBT-XJFOESAGSA-N 2 0 256.390 1.016 10 0 CDAERP CO[C@H](C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+])[C@H]1CCOC1 ZINC000665235117 413964378 /nfs/dbraw/zinc/96/43/78/413964378.db2.gz QBRKHEBOARVGMS-QMCVQRASSA-N 2 0 292.423 1.586 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000659620038 414028979 /nfs/dbraw/zinc/02/89/79/414028979.db2.gz YEYJXGHQVRWFJA-QLFBSQMISA-N 2 0 296.459 1.391 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000659621851 414033580 /nfs/dbraw/zinc/03/35/80/414033580.db2.gz KMEHZDOGASAVAO-KFWWJZLASA-N 2 0 296.459 1.486 10 0 CDAERP CC[C@@H](C)NC(=O)[C@@H](C)[N@H+](CCC[NH3+])C1CCCC1 ZINC000037299692 173105405 /nfs/dbraw/zinc/10/54/05/173105405.db2.gz MDZBXCVGAAZUIF-CHWSQXEVSA-N 2 0 269.433 1.883 10 0 CDAERP CC[C@@H]1C[C@H]([NH2+]CCCC[NH+]2CCN(C)CC2)CO1 ZINC000657308666 414146857 /nfs/dbraw/zinc/14/68/57/414146857.db2.gz WPJQUMYAKCGSLP-LSDHHAIUSA-N 2 0 269.433 1.171 10 0 CDAERP COCc1cnc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)s1 ZINC000655827273 414236181 /nfs/dbraw/zinc/23/61/81/414236181.db2.gz PSYCPVMVWRUXPV-PHIMTYICSA-N 2 0 269.414 1.719 10 0 CDAERP CC[N@@H+]1CC[C@@H](CNCc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657315398 414165176 /nfs/dbraw/zinc/16/51/76/414165176.db2.gz LQUIXAOPBOPSSS-AWEZNQCLSA-N 2 0 285.395 1.699 10 0 CDAERP c1cc(C[NH2+][C@H]2CCCOC2)n(-c2cc[nH+]cc2)n1 ZINC000657352245 414202757 /nfs/dbraw/zinc/20/27/57/414202757.db2.gz GXWQEHDIOXDRDR-LBPRGKRZSA-N 2 0 258.325 1.536 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CO[C@@H](CC)C1 ZINC000657389807 414273366 /nfs/dbraw/zinc/27/33/66/414273366.db2.gz OKTDZMLUHZQKCP-HZSPNIEDSA-N 2 0 258.406 1.500 10 0 CDAERP CC1(C)NC(=O)CC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663464150 414274286 /nfs/dbraw/zinc/27/42/86/414274286.db2.gz CRASODQECDXBJE-GJZGRUSLSA-N 2 0 293.455 1.755 10 0 CDAERP CC[C@H](CCO)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657396058 414280643 /nfs/dbraw/zinc/28/06/43/414280643.db2.gz FJOXPCPMQFMVGW-CYBMUJFWSA-N 2 0 274.368 1.766 10 0 CDAERP C[C@H](NCc1nc2c(s1)C[NH2+]CC2)[C@@H]1CCC[NH2+]C1 ZINC000663493280 414287967 /nfs/dbraw/zinc/28/79/67/414287967.db2.gz HDIQADBUMPKFEG-WDEREUQCSA-N 2 0 280.441 1.267 10 0 CDAERP [NH3+][C@H]1CCC[C@@H](NCc2nc3c(s2)C[NH2+]CC3)C1 ZINC000663497208 414295933 /nfs/dbraw/zinc/29/59/33/414295933.db2.gz LQHNYRNUKPUABJ-VHSXEESVSA-N 2 0 266.414 1.148 10 0 CDAERP Cn1ncc(C(F)(F)F)c1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000657427714 414311932 /nfs/dbraw/zinc/31/19/32/414311932.db2.gz SOUKTLGBSPHSMN-UHFFFAOYSA-N 2 0 288.317 1.790 10 0 CDAERP C[NH2+]C[C@H](C)NCc1cn(-c2cc[nH+]cc2)nc1C ZINC000663510033 414312059 /nfs/dbraw/zinc/31/20/59/414312059.db2.gz NXGJRWLWSYZOKD-NSHDSACASA-N 2 0 259.357 1.273 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N(C)[C@@H](C)C1CC1 ZINC000665638103 414325154 /nfs/dbraw/zinc/32/51/54/414325154.db2.gz YZHCRVRVUMFPFF-KBPBESRZSA-N 2 0 298.475 1.698 10 0 CDAERP CC[C@@H]1C[C@@H]([NH2+][C@@H](C)CCN2CC[NH+](C)CC2)CO1 ZINC000657438903 414328527 /nfs/dbraw/zinc/32/85/27/414328527.db2.gz QOUGEGCJSZHSBA-RRFJBIMHSA-N 2 0 269.433 1.170 10 0 CDAERP CC[C@@H]1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCS1 ZINC000662255787 414590251 /nfs/dbraw/zinc/59/02/51/414590251.db2.gz RNDBNPHMFXVRDO-VXGBXAGGSA-N 2 0 256.415 1.335 10 0 CDAERP COc1ccc(C[N@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)cn1 ZINC000662295837 414622093 /nfs/dbraw/zinc/62/20/93/414622093.db2.gz MWQVCQWGSTVUBU-CYBMUJFWSA-N 2 0 277.368 1.043 10 0 CDAERP CC[C@H](CC(F)F)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000662237356 414579726 /nfs/dbraw/zinc/57/97/26/414579726.db2.gz ITXJGIKPFNGQFV-LLVKDONJSA-N 2 0 277.359 1.031 10 0 CDAERP [NH3+]CCCOC1CC[NH+](C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000662247285 414583356 /nfs/dbraw/zinc/58/33/56/414583356.db2.gz DVONSCBYRQPKDE-BTTYYORXSA-N 2 0 252.402 1.862 10 0 CDAERP C[C@]1(C(N)=O)CC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000662315452 414634348 /nfs/dbraw/zinc/63/43/48/414634348.db2.gz PVDUTWIVYDYTQM-INIZCTEOSA-N 2 0 273.380 1.030 10 0 CDAERP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2CC[NH2+]C2)cn1 ZINC000662312690 414632898 /nfs/dbraw/zinc/63/28/98/414632898.db2.gz YYTWHWXDHQREGG-SNPRPXQTSA-N 2 0 262.401 1.330 10 0 CDAERP C[C@@H]1CC[C@H](C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)O1 ZINC000662322909 414640984 /nfs/dbraw/zinc/64/09/84/414640984.db2.gz JLOCKVSFUDCPPE-RBSFLKMASA-N 2 0 270.417 1.597 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000040716289 174383100 /nfs/dbraw/zinc/38/31/00/174383100.db2.gz VFWPFXWKOLLSPN-CYBMUJFWSA-N 2 0 262.357 1.361 10 0 CDAERP CCN(CC)C(=O)CCC[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750330 174394912 /nfs/dbraw/zinc/39/49/12/174394912.db2.gz PIODXBLJVJGAQY-AGUYFDCRSA-N 2 0 267.417 1.589 10 0 CDAERP CCc1cc(N2CCC[N@H+](CCCCC[NH3+])CC2)ncn1 ZINC000040764943 174397806 /nfs/dbraw/zinc/39/78/06/174397806.db2.gz ZWRCVEDNSBMKJX-UHFFFAOYSA-N 2 0 291.443 1.680 10 0 CDAERP CC(C)[NH+]1CCN([C@@H](c2ccccn2)[C@H](C)[NH3+])CC1 ZINC000043339415 175013667 /nfs/dbraw/zinc/01/36/67/175013667.db2.gz CNHBHSACAFKCEE-DZGCQCFKSA-N 2 0 262.401 1.496 10 0 CDAERP CC(C)C[N@H+](CCC[NH3+])[C@H](C)C(=O)NC1CCCC1 ZINC000043417303 175038203 /nfs/dbraw/zinc/03/82/03/175038203.db2.gz GAFJWGYISIBNDR-CYBMUJFWSA-N 2 0 269.433 1.741 10 0 CDAERP NC(=O)CC1CC[NH+](CC[C@@H]2CCCC[NH2+]2)CC1 ZINC000043498730 175058222 /nfs/dbraw/zinc/05/82/22/175058222.db2.gz KGDZMTARASXOOE-ZDUSSCGKSA-N 2 0 253.390 1.106 10 0 CDAERP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N1CC[NH+](CC)CC1 ZINC000043805979 175108500 /nfs/dbraw/zinc/10/85/00/175108500.db2.gz QFZHZFYCSGKXSL-ILXRZTDVSA-N 2 0 253.434 1.791 10 0 CDAERP CC[C@@H]([C@H]([NH2+]C)c1ccccc1)N1CC[NH+](C)CC1 ZINC000043810594 175109523 /nfs/dbraw/zinc/10/95/23/175109523.db2.gz TUVBSZLAEPVEDZ-JKSUJKDBSA-N 2 0 261.413 1.973 10 0 CDAERP CC[NH2+][C@@H]1CCCC[C@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815367 175112226 /nfs/dbraw/zinc/11/22/26/175112226.db2.gz KWIGTLOPGFABIO-HUUCEWRRSA-N 2 0 253.434 1.933 10 0 CDAERP CC[NH2+][C@@H]1CCCC[C@H]1N1CCC([NH+](C)C)CC1 ZINC000043897477 175120612 /nfs/dbraw/zinc/12/06/12/175120612.db2.gz SDDANGIKWLCNCE-HUUCEWRRSA-N 2 0 253.434 1.933 10 0 CDAERP CC[NH2+][C@@H](CC)[C@@H](C)N(CCOC)[C@@H](C)COC ZINC000043975862 175132572 /nfs/dbraw/zinc/13/25/72/175132572.db2.gz NRVWQCNLXOJCIV-MJBXVCDLSA-N 2 0 260.422 1.746 10 0 CDAERP CC[C@@H]1CC[C@@H](O)[C@H]([NH+]2CCC([NH+](C)C)CC2)C1 ZINC000044133043 175145674 /nfs/dbraw/zinc/14/56/74/175145674.db2.gz VSQIOISINUKOFI-BPLDGKMQSA-N 2 0 254.418 1.952 10 0 CDAERP C[NH+]1CCC(C[NH2+]Cc2ccccc2C(N)=O)CC1 ZINC000044518411 175190718 /nfs/dbraw/zinc/19/07/18/175190718.db2.gz CZMIDDRREVYRNU-UHFFFAOYSA-N 2 0 261.369 1.217 10 0 CDAERP CC[NH+]1CCC(C[NH2+]CC(=O)NCC(C)C)CC1 ZINC000044518726 175191466 /nfs/dbraw/zinc/19/14/66/175191466.db2.gz HIHXMGWAABOTFA-UHFFFAOYSA-N 2 0 255.406 1.080 10 0 CDAERP CC[NH+]1CCC(CNC(=O)C[C@H]2CCCC[NH2+]2)CC1 ZINC000044526944 175192165 /nfs/dbraw/zinc/19/21/65/175192165.db2.gz CAQGLJGOAYSYKD-CQSZACIVSA-N 2 0 267.417 1.367 10 0 CDAERP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000044533781 175197324 /nfs/dbraw/zinc/19/73/24/175197324.db2.gz AZAZDLXKTZZGAO-NWDGAFQWSA-N 2 0 288.395 1.849 10 0 CDAERP CC[C@@H]1CCN(C[C@@H]2CCC[N@H+](C)C2)CCC[NH2+]1 ZINC000044538683 175199904 /nfs/dbraw/zinc/19/99/04/175199904.db2.gz BBYGKIACEFEQKJ-HUUCEWRRSA-N 2 0 253.434 1.792 10 0 CDAERP CC(C)C[N@@H+]1CCO[C@@H](CN2CCCC[C@@H]2C[NH3+])C1 ZINC000044558441 175203102 /nfs/dbraw/zinc/20/31/02/175203102.db2.gz GLVOACFOPKIRDP-HUUCEWRRSA-N 2 0 269.433 1.156 10 0 CDAERP CCC[NH2+][C@@H]1CCN(C[C@H]2CCCC[N@@H+]2C)C1=O ZINC000044562920 175205849 /nfs/dbraw/zinc/20/58/49/175205849.db2.gz GUXORHNGIWNICN-CHWSQXEVSA-N 2 0 253.390 1.071 10 0 CDAERP CC[NH+]1CCC([C@H](C)[NH2+][C@@H]2CCN(C3CC3)C2)CC1 ZINC000044685771 175231215 /nfs/dbraw/zinc/23/12/15/175231215.db2.gz JCMOHWLMNZKGOY-DZGCQCFKSA-N 2 0 265.445 1.933 10 0 CDAERP CCC(CC)(C[NH3+])C(=O)N[C@@H](C)C[NH+]1CCCC1 ZINC000044763647 175247639 /nfs/dbraw/zinc/24/76/39/175247639.db2.gz FDWVQBOTBKBYCN-LBPRGKRZSA-N 2 0 255.406 1.352 10 0 CDAERP CCC(CC)(C[NH3+])C(=O)N[C@@H](C[NH+](C)C)C(C)C ZINC000044763707 175247788 /nfs/dbraw/zinc/24/77/88/175247788.db2.gz KYZBKGLKRDCFLL-LBPRGKRZSA-N 2 0 257.422 1.454 10 0 CDAERP C[C@H](CNC(=O)C1(C[NH3+])CCCCCC1)[NH+](C)C ZINC000045108014 175309060 /nfs/dbraw/zinc/30/90/60/175309060.db2.gz ZCWHLMYYDFJMJR-GFCCVEGCSA-N 2 0 255.406 1.352 10 0 CDAERP CC[N@H+](CCC[C@](C)([NH2+]C(C)C)C(N)=O)CC(C)C ZINC000045381878 175369698 /nfs/dbraw/zinc/36/96/98/175369698.db2.gz VPWXHLJUFSDDBI-HNNXBMFYSA-N 2 0 271.449 1.987 10 0 CDAERP CC[NH2+][C@@](C)(CCCC[N@H+](CC)C(C)C)C(N)=O ZINC000045383673 175371336 /nfs/dbraw/zinc/37/13/36/175371336.db2.gz HMYIWYMTKWZJTO-AWEZNQCLSA-N 2 0 257.422 1.741 10 0 CDAERP CCC[N@H+](C)CCCC[C@@](C)([NH2+]C1CC1)C(N)=O ZINC000045382260 175371517 /nfs/dbraw/zinc/37/15/17/175371517.db2.gz SFMJRJOZKMZICJ-CQSZACIVSA-N 2 0 255.406 1.495 10 0 CDAERP CC[NH2+][C@](C)(CCC[N@H+](C)C(CC)CC)C(N)=O ZINC000045391617 175374630 /nfs/dbraw/zinc/37/46/30/175374630.db2.gz ZUXGBFPCYQOEGJ-CQSZACIVSA-N 2 0 257.422 1.741 10 0 CDAERP CC(C)[NH2+][C@](C)(CCCC[N@H+](C)CC1CC1)C(N)=O ZINC000045419932 175377713 /nfs/dbraw/zinc/37/77/13/175377713.db2.gz VNCKBWVLEAIJNR-OAHLLOKOSA-N 2 0 269.433 1.741 10 0 CDAERP CC[N@H+](CCC[C@](C)([NH2+]C1CC1)C(N)=O)C[C@@H]1CCCO1 ZINC000045421667 175379519 /nfs/dbraw/zinc/37/95/19/175379519.db2.gz FUHMYHQGIDVBHT-HOCLYGCPSA-N 2 0 297.443 1.264 10 0 CDAERP CC[NH2+][C@](C)(CCCC[N@H+](CC)C[C@@H]1CCCO1)C(N)=O ZINC000045421636 175379837 /nfs/dbraw/zinc/37/98/37/175379837.db2.gz VONWXEVXDKNCHE-GOEBONIOSA-N 2 0 299.459 1.511 10 0 CDAERP COCC[NH+](CCOC)Cc1ccccc1CC[NH3+] ZINC000070542677 175978478 /nfs/dbraw/zinc/97/84/78/175978478.db2.gz XYQYOIXMBNFHMH-UHFFFAOYSA-N 2 0 266.385 1.283 10 0 CDAERP O=C1[C@H]([NH2+]C2CC2)CCCN1CC[NH+]1CCCCC1 ZINC000071032250 176023781 /nfs/dbraw/zinc/02/37/81/176023781.db2.gz VCJVQECLPVEHQJ-CQSZACIVSA-N 2 0 265.401 1.215 10 0 CDAERP CC[NH+](CC)C[C@@H](C)N1CCC[C@H]([NH2+]C(C)C)C1=O ZINC000071034747 176025035 /nfs/dbraw/zinc/02/50/35/176025035.db2.gz DMGQYYRDUNRQBM-KGLIPLIRSA-N 2 0 269.433 1.706 10 0 CDAERP C[NH2+][C@@H]1CCN(CCC[N@H+](C)Cc2ccccc2)C1=O ZINC000071037929 176026573 /nfs/dbraw/zinc/02/65/73/176026573.db2.gz GEZBLGFDJTUNAV-OAHLLOKOSA-N 2 0 275.396 1.329 10 0 CDAERP CC[C@H]1CCC[C@@H]([NH+]2CCN(CCC[NH3+])CC2)C1 ZINC000071147373 176043498 /nfs/dbraw/zinc/04/34/98/176043498.db2.gz USUFZAZLURZKPM-LSDHHAIUSA-N 2 0 253.434 1.922 10 0 CDAERP Cc1cc([C@H](C)[N@H+](C)CCN2CC[NH2+]CC2)c(C)o1 ZINC000071148666 176044396 /nfs/dbraw/zinc/04/43/96/176044396.db2.gz ZIQBREGHMSIUJY-ZDUSSCGKSA-N 2 0 265.401 1.794 10 0 CDAERP CC[C@H]([NH3+])[C@@H](c1cccnc1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188128 176062629 /nfs/dbraw/zinc/06/26/29/176062629.db2.gz CEROQTFVZXEZON-VNQPRFMTSA-N 2 0 276.428 1.744 10 0 CDAERP CCC[NH+]1CCC(N2CC[C@@H]([NH2+]C(C)C)C2)CC1 ZINC000071201391 176078194 /nfs/dbraw/zinc/07/81/94/176078194.db2.gz MVBPKKIEUMESKT-CQSZACIVSA-N 2 0 253.434 1.933 10 0 CDAERP NC(=[NH2+])c1cc(F)ccc1C[N@@H+]1CCCC[C@@H]1CCO ZINC000071267590 176101081 /nfs/dbraw/zinc/10/10/81/176101081.db2.gz QRMRUIFHUKAFOA-CYBMUJFWSA-N 2 0 279.359 1.847 10 0 CDAERP CCCN([C@H]1CC[NH2+]C1)C1CC[NH+](CCC)CC1 ZINC000071314686 176121073 /nfs/dbraw/zinc/12/10/73/176121073.db2.gz MWPHELFHPMGCOR-HNNXBMFYSA-N 2 0 253.434 1.935 10 0 CDAERP Cc1ccc([C@@H]([C@H](C)[NH3+])N2CC[NH+](CC(C)(C)O)CC2)o1 ZINC000071380307 176144288 /nfs/dbraw/zinc/14/42/88/176144288.db2.gz VZSKHBWGSCSOQI-DZGCQCFKSA-N 2 0 295.427 1.365 10 0 CDAERP C[C@H]1C[C@@H]([NH3+])CC[C@@H]1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000071380176 176144414 /nfs/dbraw/zinc/14/44/14/176144414.db2.gz HSGHSVURKNIPFH-YDHLFZDLSA-N 2 0 281.444 1.741 10 0 CDAERP C[NH2+]CC1(O)CC[NH+](CCOc2ccccc2)CC1 ZINC000071484757 176189456 /nfs/dbraw/zinc/18/94/56/176189456.db2.gz PZKPYTRSAOCGFG-UHFFFAOYSA-N 2 0 264.369 1.112 10 0 CDAERP COc1cc(F)c([C@@H](CC[NH3+])C[NH+](C)C)cc1F ZINC000076665616 177051222 /nfs/dbraw/zinc/05/12/22/177051222.db2.gz LOQOJDYAIWBSIT-VIFPVBQESA-N 2 0 258.312 1.967 10 0 CDAERP CC[NH+](CC)[C@@H](C)CNC(=O)NC1CC[NH+](C)CC1 ZINC000078511736 177348423 /nfs/dbraw/zinc/34/84/23/177348423.db2.gz NBPCNOZGVBVCGR-LBPRGKRZSA-N 2 0 270.421 1.110 10 0 CDAERP C[C@H]1C[C@@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)CC[NH2+]1 ZINC000417931545 227217800 /nfs/dbraw/zinc/21/78/00/227217800.db2.gz LLSMJDZUYNBBHM-PPWQZUPISA-N 2 0 296.459 1.547 10 0 CDAERP CCCC[NH2+]C[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001666646407 1173167127 /nfs/dbraw/zinc/16/71/27/1173167127.db2.gz MTZHFPAPRUFFST-CYBMUJFWSA-N 2 0 267.417 1.224 10 0 CDAERP CC(C)[N@H+](C[C@@H]1CCC(=O)N1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415138151 263275072 /nfs/dbraw/zinc/27/50/72/263275072.db2.gz JTFCBTZZPYXICO-MCIONIFRSA-N 2 0 267.417 1.364 10 0 CDAERP CC(C)[N@H+](C[C@@H]1CCC(=O)N1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000415138154 263276289 /nfs/dbraw/zinc/27/62/89/263276289.db2.gz JTFCBTZZPYXICO-RDBSUJKOSA-N 2 0 267.417 1.364 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)CC[NH2+]C2CC2)[C@@H](C)C1 ZINC000655449271 423875017 /nfs/dbraw/zinc/87/50/17/423875017.db2.gz SRSRJWBHVWRVDA-JSGCOSHPSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2C[C@@H](C(N)=O)C2)CC1 ZINC000651939718 423938373 /nfs/dbraw/zinc/93/83/73/423938373.db2.gz OGDJBDWBJCPIJP-UGQVUOCMSA-N 2 0 293.455 1.883 10 0 CDAERP CC(C)NC(=O)[C@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000662315191 423946792 /nfs/dbraw/zinc/94/67/92/423946792.db2.gz CPDHHGVSJIKCEC-KBPBESRZSA-N 2 0 267.417 1.223 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000652214365 424066098 /nfs/dbraw/zinc/06/60/98/424066098.db2.gz BQXJBXSGCOJXNS-SWLSCSKDSA-N 2 0 290.411 1.203 10 0 CDAERP C[C@@H]1CCCN(C(=O)c2cc(C(C)(C)[NH3+])no2)[C@@H]1C[NH3+] ZINC000662424524 424079590 /nfs/dbraw/zinc/07/95/90/424079590.db2.gz TVWUAVRPLWWSSO-NXEZZACHSA-N 2 0 280.372 1.068 10 0 CDAERP CCCC[C@@H](C[NH3+])NC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662427844 424083733 /nfs/dbraw/zinc/08/37/33/424083733.db2.gz CJPHJPQCPSILHK-VIFPVBQESA-N 2 0 268.361 1.116 10 0 CDAERP CC(C)C[C@@H](C[NH3+])NC(=O)NCCC[N@H+](C)CC(C)C ZINC000652208631 424040066 /nfs/dbraw/zinc/04/00/66/424040066.db2.gz KFNOIWGBJZBBOB-AWEZNQCLSA-N 2 0 286.464 1.637 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000655245769 424057134 /nfs/dbraw/zinc/05/71/34/424057134.db2.gz VGUFOBWTKWUFCV-VNQPRFMTSA-N 2 0 293.455 1.850 10 0 CDAERP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCCC1(C[NH3+])CC1 ZINC000652234306 424105569 /nfs/dbraw/zinc/10/55/69/424105569.db2.gz ZMFAHMDJKVYLCJ-KGLIPLIRSA-N 2 0 294.443 1.384 10 0 CDAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCC1(C[NH3+])CC1 ZINC000652240269 424120160 /nfs/dbraw/zinc/12/01/60/424120160.db2.gz VHRCBHFTZFKMEC-KGLIPLIRSA-N 2 0 294.443 1.384 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCC2(C[NH3+])CC2)[C@H](C)C1 ZINC000652239204 424120819 /nfs/dbraw/zinc/12/08/19/424120819.db2.gz DNACJPFJHNFXSD-ZIAGYGMSSA-N 2 0 296.459 1.487 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(C)CC2C[NH+](C)C2)C1 ZINC000664004114 424100315 /nfs/dbraw/zinc/10/03/15/424100315.db2.gz XJAKNRKSSYYPHR-AWEZNQCLSA-N 2 0 296.459 1.310 10 0 CDAERP CC(C)S(=O)(=O)CCCN1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000652354760 424299654 /nfs/dbraw/zinc/29/96/54/424299654.db2.gz HJPDEHKGHUWFSC-ZIAGYGMSSA-N 2 0 290.473 1.649 10 0 CDAERP CCC[NH2+]C[C@@H](C)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001667059640 1173228375 /nfs/dbraw/zinc/22/83/75/1173228375.db2.gz SZECMCMUVHNKIP-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662681328 424308515 /nfs/dbraw/zinc/30/85/15/424308515.db2.gz YUUGJNDNTRBGTO-OLZOCXBDSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)CC1([NH3+])CCC1 ZINC000309766683 424375188 /nfs/dbraw/zinc/37/51/88/424375188.db2.gz ZPZMGLXDUKDNPB-AWEZNQCLSA-N 2 0 289.423 1.895 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653150530 424379541 /nfs/dbraw/zinc/37/95/41/424379541.db2.gz FAAPTGQIQHYMAE-QEJZJMRPSA-N 2 0 281.444 1.754 10 0 CDAERP C[C@@H]1CC[C@@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)CS1 ZINC000655686563 424384113 /nfs/dbraw/zinc/38/41/13/424384113.db2.gz KVQFDUQBSPFVPU-ZIAGYGMSSA-N 2 0 285.501 1.886 10 0 CDAERP C[NH+](C)CCc1ccc(NC(=O)CC2([NH3+])CC2)cc1 ZINC000662704847 424348253 /nfs/dbraw/zinc/34/82/53/424348253.db2.gz LLSSJHHRSJLBAJ-UHFFFAOYSA-N 2 0 261.369 1.611 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000659618526 424412411 /nfs/dbraw/zinc/41/24/11/424412411.db2.gz IHUGVIUKQCBHHI-FRRDWIJNSA-N 2 0 270.421 1.094 10 0 CDAERP CN(CC1CC[NH+](C)CC1)C(=O)C1([NH2+]C2CC2)CCC1 ZINC000662822846 424508551 /nfs/dbraw/zinc/50/85/51/424508551.db2.gz RMWLZEOZICVAHL-UHFFFAOYSA-N 2 0 279.428 1.461 10 0 CDAERP CC(=O)NCc1ccc(C[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000665234808 424469251 /nfs/dbraw/zinc/46/92/51/424469251.db2.gz KJDONGLDGWAXRM-UHFFFAOYSA-N 2 0 289.423 1.930 10 0 CDAERP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N(C)CC1C[NH+](C)C1 ZINC000661892537 424637715 /nfs/dbraw/zinc/63/77/15/424637715.db2.gz AAVARHKLXVFSMB-AWEZNQCLSA-N 2 0 296.459 1.310 10 0 CDAERP C[NH+](C)CCC1CC[NH+](C[C@@H](O)CC2(O)CCC2)CC1 ZINC000528352943 270800579 /nfs/dbraw/zinc/80/05/79/270800579.db2.gz LPZUWQNTVJLBNQ-HNNXBMFYSA-N 2 0 284.444 1.316 10 0 CDAERP CC1(C)[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)[C@H]2CCO[C@H]21 ZINC000530179157 271132410 /nfs/dbraw/zinc/13/24/10/271132410.db2.gz QHIIIPYYGNAPBK-FDYHWXHSSA-N 2 0 250.386 1.674 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H](n1cccn1)C(F)(F)F ZINC000530210425 271153269 /nfs/dbraw/zinc/15/32/69/271153269.db2.gz KHQBKJIIQPCZIM-DCAQKATOSA-N 2 0 276.306 1.704 10 0 CDAERP COc1ccc(CC[NH2+][C@H]2CCCC[C@H]2C[NH3+])cn1 ZINC000530221880 271163955 /nfs/dbraw/zinc/16/39/55/271163955.db2.gz PKDBGIFVYKUNPG-KBPBESRZSA-N 2 0 263.385 1.740 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000340969026 276260903 /nfs/dbraw/zinc/26/09/03/276260903.db2.gz DCAUEVOUZVKEQC-JSGCOSHPSA-N 2 0 265.401 1.214 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000173500197 276378604 /nfs/dbraw/zinc/37/86/04/276378604.db2.gz CRWKGHCRPRJPJC-LSDHHAIUSA-N 2 0 294.443 1.350 10 0 CDAERP Cn1cc2c(n1)CCC[C@@H]2[NH2+]CCCC[NH+](C)C ZINC000358738602 276758991 /nfs/dbraw/zinc/75/89/91/276758991.db2.gz ARJNTBKYBABBID-ZDUSSCGKSA-N 2 0 250.390 1.729 10 0 CDAERP COCCC[NH+]1CCC(N[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000343927137 277206970 /nfs/dbraw/zinc/20/69/70/277206970.db2.gz VINQXYQFXPNHJI-UKRRQHHQSA-N 2 0 269.433 1.027 10 0 CDAERP COC[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)C1CC1 ZINC000423504180 277247306 /nfs/dbraw/zinc/24/73/06/277247306.db2.gz GNEABNNAAAFCIW-UYSNPLJNSA-N 2 0 281.444 1.217 10 0 CDAERP COC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCOCC1 ZINC000370478107 277263113 /nfs/dbraw/zinc/26/31/13/277263113.db2.gz SCSLZYHSERSEED-PMPSAXMXSA-N 2 0 282.428 1.644 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085359331 278972958 /nfs/dbraw/zinc/97/29/58/278972958.db2.gz SAHPPUWCHXMEAN-XQQFMLRXSA-N 2 0 255.406 1.206 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000187797626 279125659 /nfs/dbraw/zinc/12/56/59/279125659.db2.gz OJZYSRRNERZZBV-HUUCEWRRSA-N 2 0 298.475 1.556 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000345269828 279318093 /nfs/dbraw/zinc/31/80/93/279318093.db2.gz GWDVSOLJRHIXCQ-MJBXVCDLSA-N 2 0 267.417 1.460 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000418195733 279381204 /nfs/dbraw/zinc/38/12/04/279381204.db2.gz GITSRDYCQIHXGI-FRRDWIJNSA-N 2 0 270.421 1.012 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000418195731 279381671 /nfs/dbraw/zinc/38/16/71/279381671.db2.gz GITSRDYCQIHXGI-AVGNSLFASA-N 2 0 270.421 1.012 10 0 CDAERP C[C@H](Cn1cccn1)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415044722 279386121 /nfs/dbraw/zinc/38/61/21/279386121.db2.gz BACZUMMRTLSUPS-QQFBHYJXSA-N 2 0 291.443 1.078 10 0 CDAERP C[C@@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)C(C)(C)C[NH+](C)C ZINC000121201497 279398768 /nfs/dbraw/zinc/39/87/68/279398768.db2.gz JUCJBOGCFZCEME-OLZOCXBDSA-N 2 0 284.448 1.308 10 0 CDAERP O=C([C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262461134 280114107 /nfs/dbraw/zinc/11/41/07/280114107.db2.gz VXWHVBFINFOLML-QMIVOQANSA-N 2 0 277.412 1.260 10 0 CDAERP CC(C)c1ncc2c(n1)CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC000527616453 281159905 /nfs/dbraw/zinc/15/99/05/281159905.db2.gz BPHLUYGWVVKIPL-UHFFFAOYSA-N 2 0 274.412 1.958 10 0 CDAERP C[NH+](C)CC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000171316989 282055616 /nfs/dbraw/zinc/05/56/16/282055616.db2.gz UAJGIPUYMMZTMT-HNNXBMFYSA-N 2 0 281.444 1.663 10 0 CDAERP C[C@@H]1CC[N@H+](CCN[C@@H]2CC[NH+](C)[C@@H]3CCC[C@H]32)C1 ZINC000556868889 290312976 /nfs/dbraw/zinc/31/29/76/290312976.db2.gz BRSLXYBBXGBWIU-QKPAOTATSA-N 2 0 265.445 1.791 10 0 CDAERP CC[NH2+][C@H](C)CNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000563109460 293276912 /nfs/dbraw/zinc/27/69/12/293276912.db2.gz CRTUVKKIWXDIAF-CHWSQXEVSA-N 2 0 255.406 1.365 10 0 CDAERP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCNC[C@@H]1C(F)F ZINC000575047209 295091608 /nfs/dbraw/zinc/09/16/08/295091608.db2.gz IJHIOGUNKRTFJM-VHSXEESVSA-N 2 0 277.359 1.076 10 0 CDAERP COc1ccc(CC[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)cc1OC ZINC000400516099 295121657 /nfs/dbraw/zinc/12/16/57/295121657.db2.gz GIOVCIKNPYWSBN-TZMCWYRMSA-N 2 0 278.396 1.834 10 0 CDAERP [NH3+]CC1(CC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CCCCC1 ZINC000335109032 295221863 /nfs/dbraw/zinc/22/18/63/295221863.db2.gz UPQGINNUEVZZFW-QGZVFWFLSA-N 2 0 293.455 1.888 10 0 CDAERP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000335341545 295276790 /nfs/dbraw/zinc/27/67/90/295276790.db2.gz LLKQOMVFLSXSET-HIFRSBDPSA-N 2 0 288.395 1.006 10 0 CDAERP C[C@H](CC(=O)N1CCC[C@@H]1C[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC000251718590 298290003 /nfs/dbraw/zinc/29/00/03/298290003.db2.gz YWRTYDQFDCFXBE-QLFBSQMISA-N 2 0 281.444 1.565 10 0 CDAERP C[C@H]([NH3+])c1ccc(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000335049991 299001599 /nfs/dbraw/zinc/00/15/99/299001599.db2.gz BRRDLKJWTVSNBP-SUMWQHHRSA-N 2 0 287.407 1.922 10 0 CDAERP C[C@H]1C[N@H+](C)C[C@H]1NCC1(C[NH+](C)C)CCCC1 ZINC000353165210 300226138 /nfs/dbraw/zinc/22/61/38/300226138.db2.gz HMQYTUDOERXHAT-UONOGXRCSA-N 2 0 253.434 1.648 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000377569673 300674198 /nfs/dbraw/zinc/67/41/98/300674198.db2.gz WPWKXHNMNFOUJP-ZFWWWQNUSA-N 2 0 287.407 1.256 10 0 CDAERP COCC[NH2+]C[C@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001669622352 1173576594 /nfs/dbraw/zinc/57/65/94/1173576594.db2.gz JGFYHMQCVBONPH-AWEZNQCLSA-N 2 0 299.459 1.239 10 0 CDAERP CCCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001669924646 1173632092 /nfs/dbraw/zinc/63/20/92/1173632092.db2.gz FDIXIXKMIFUJNU-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CCF)[NH+]1CCCCCC1 ZINC001671355703 1173678335 /nfs/dbraw/zinc/67/83/35/1173678335.db2.gz RRXWBKODVGYNST-GJZGRUSLSA-N 2 0 299.434 1.801 10 0 CDAERP COC(C)(C)C[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000577334122 317306973 /nfs/dbraw/zinc/30/69/73/317306973.db2.gz APVAVIHZYGNXST-UHFFFAOYSA-N 2 0 297.443 1.086 10 0 CDAERP CCC1CCC(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CC1 ZINC000577721422 317387940 /nfs/dbraw/zinc/38/79/40/317387940.db2.gz GHCBXUCOVQSUOB-OFLPRAFFSA-N 2 0 297.487 1.401 10 0 CDAERP C[C@H]([NH3+])c1ccc(C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1 ZINC000582487116 324985584 /nfs/dbraw/zinc/98/55/84/324985584.db2.gz ZLHYUOCOTXVLDT-BFQNTYOBSA-N 2 0 275.396 1.763 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCC1CC[NH2+]CC1 ZINC000583013882 325088602 /nfs/dbraw/zinc/08/86/02/325088602.db2.gz VMZYBAXSDIDWIF-KBPBESRZSA-N 2 0 296.459 1.548 10 0 CDAERP CCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001673997545 1173904344 /nfs/dbraw/zinc/90/43/44/1173904344.db2.gz UZTVLBUIRLVXKM-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001731592075 1159312109 /nfs/dbraw/zinc/31/21/09/1159312109.db2.gz KLXIXHAZOACBHQ-GXTWGEPZSA-N 2 0 267.417 1.079 10 0 CDAERP CCCC[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001731909457 1159391405 /nfs/dbraw/zinc/39/14/05/1159391405.db2.gz AGBBXEOFUKAMLJ-AWEZNQCLSA-N 2 0 269.433 1.707 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001482598810 1160536523 /nfs/dbraw/zinc/53/65/23/1160536523.db2.gz LXOIUSXRECYAQJ-GDBMZVCRSA-N 2 0 295.471 1.765 10 0 CDAERP C[C@@H]([NH3+])CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000668813898 482346693 /nfs/dbraw/zinc/34/66/93/482346693.db2.gz BXSGZTQZVXEYGO-CYBMUJFWSA-N 2 0 290.411 1.429 10 0 CDAERP C[NH+](C)Cc1cc(CNC(=O)[C@H]2CC[N@H+](C)C2)ccc1F ZINC000604342940 482488271 /nfs/dbraw/zinc/48/82/71/482488271.db2.gz BVMZYNLKCNFHHU-ZDUSSCGKSA-N 2 0 293.386 1.455 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000669514112 482534309 /nfs/dbraw/zinc/53/43/09/482534309.db2.gz XCEAMRUMLPJVSD-SNPRPXQTSA-N 2 0 275.396 1.581 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCC[NH+](C)C2)C[N@@H+]1C1CC1 ZINC000674700548 482564839 /nfs/dbraw/zinc/56/48/39/482564839.db2.gz UYPFPQMUIJHKTN-FRRDWIJNSA-N 2 0 280.416 1.005 10 0 CDAERP C[C@@H](C[NH+](C)C)NC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000672684239 482588227 /nfs/dbraw/zinc/58/82/27/482588227.db2.gz VICLKABLOUEECX-NSHDSACASA-N 2 0 288.355 1.339 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CCC(C)(C)[NH3+] ZINC000092630220 482630466 /nfs/dbraw/zinc/63/04/66/482630466.db2.gz BGFLNYMPIDOCHJ-LBPRGKRZSA-N 2 0 255.406 1.447 10 0 CDAERP CCn1cnnc1CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000671752401 482644899 /nfs/dbraw/zinc/64/48/99/482644899.db2.gz VAGSMICJFFYZRP-MCIONIFRSA-N 2 0 277.416 1.303 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCC[C@@H](OC)C2)CC1 ZINC000684369805 482777029 /nfs/dbraw/zinc/77/70/29/482777029.db2.gz BCKKVNCRLMRZSN-OWCLPIDISA-N 2 0 283.460 1.560 10 0 CDAERP CO[C@@H]1CCC[C@H]([NH2+]C[C@H](C)N2CC[NH+](C)CC2)C1 ZINC000684377703 482780992 /nfs/dbraw/zinc/78/09/92/482780992.db2.gz VDVNQNVLMWDYQW-SOUVJXGZSA-N 2 0 269.433 1.170 10 0 CDAERP C(CC1CC[NH2+]CC1)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000094462446 482789435 /nfs/dbraw/zinc/78/94/35/482789435.db2.gz MMEBNFWXRJNLPJ-HNNXBMFYSA-N 2 0 251.418 1.546 10 0 CDAERP Cn1c2ccc(C[NH2+][C@H]3CCC[NH2+]CC3)cc2sc1=O ZINC000666857703 482952232 /nfs/dbraw/zinc/95/22/32/482952232.db2.gz FVBVVOLCVAOAHR-LBPRGKRZSA-N 2 0 291.420 1.832 10 0 CDAERP C[NH+]1CCC(N2CC[C@H]([NH2+]CC3(C)CCC3)C2)CC1 ZINC000683436338 483043973 /nfs/dbraw/zinc/04/39/73/483043973.db2.gz LXOPZAQVSGKKON-AWEZNQCLSA-N 2 0 265.445 1.935 10 0 CDAERP C[NH+](C)Cc1ccc(NC(=O)C[C@H]2CC[NH2+]C2)cc1 ZINC000089742929 483128777 /nfs/dbraw/zinc/12/87/77/483128777.db2.gz XBMXWLWWCBKXIX-CYBMUJFWSA-N 2 0 261.369 1.686 10 0 CDAERP C[C@H]1C[C@H]([NH2+]CC2(CC(N)=O)CCCCC2)CC[N@@H+]1C ZINC000658343652 483151470 /nfs/dbraw/zinc/15/14/70/483151470.db2.gz PZWBWJDVSAEURB-UONOGXRCSA-N 2 0 281.444 1.885 10 0 CDAERP CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000682446866 483231026 /nfs/dbraw/zinc/23/10/26/483231026.db2.gz IEUCFNWDFCKHQI-CQSZACIVSA-N 2 0 284.448 1.454 10 0 CDAERP OC[C@H]1CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667569831 483336793 /nfs/dbraw/zinc/33/67/93/483336793.db2.gz UGTLCIZKBRQREF-LBPRGKRZSA-N 2 0 258.325 1.082 10 0 CDAERP CN(CCCC[NH+](C)C)C(=O)CCN(C)c1cc[nH+]cc1 ZINC000679408384 483361232 /nfs/dbraw/zinc/36/12/32/483361232.db2.gz GRNCJJAWMBCKDV-UHFFFAOYSA-N 2 0 292.427 1.708 10 0 CDAERP C[C@H]([NH2+]C[C@@]1(CCO)CCOC1)C1CC[NH+](C)CC1 ZINC000675936443 483383992 /nfs/dbraw/zinc/38/39/92/483383992.db2.gz KETHXYGXVWYKJN-DZGCQCFKSA-N 2 0 270.417 1.095 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000136316946 483389459 /nfs/dbraw/zinc/38/94/59/483389459.db2.gz MWVOSMJMDZSMIA-QWHCGFSZSA-N 2 0 255.406 1.350 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000136344374 483393707 /nfs/dbraw/zinc/39/37/07/483393707.db2.gz XUZCFAOPTRXEMJ-HZPDHXFCSA-N 2 0 289.423 1.751 10 0 CDAERP C[NH2+]Cc1ccccc1NC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000667762659 483416225 /nfs/dbraw/zinc/41/62/25/483416225.db2.gz IEPCFQURMXGTAC-ZDUSSCGKSA-N 2 0 276.384 1.622 10 0 CDAERP CC(C)[C@H](C[NH2+][C@H]1CO[C@@H](C2CC2)C1)N1CC[NH+](C)CC1 ZINC000667777136 483420470 /nfs/dbraw/zinc/42/04/70/483420470.db2.gz OGVUCJCWDXKVSI-IXDOHACOSA-N 2 0 295.471 1.416 10 0 CDAERP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2cn[nH]c2)C1 ZINC000679751893 483434717 /nfs/dbraw/zinc/43/47/17/483434717.db2.gz YNCVSMCXTMRLHP-INIZCTEOSA-N 2 0 286.379 1.266 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)CC[NH2+]Cc1cnc(C)s1 ZINC001691567603 1160701551 /nfs/dbraw/zinc/70/15/51/1160701551.db2.gz YQVRXGSZSQPGHR-UHFFFAOYSA-N 2 0 298.456 1.341 10 0 CDAERP C([NH2+]C1CC1)C1CC[NH+](CC2CCOCC2)CC1 ZINC000053660347 518398187 /nfs/dbraw/zinc/39/81/87/518398187.db2.gz QGIGWLGGSHWBAO-UHFFFAOYSA-N 2 0 252.402 1.877 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)CN1CC[NH+](C(C)C)CC1 ZINC000052480011 519744624 /nfs/dbraw/zinc/74/46/24/519744624.db2.gz JHMNZZULGGMSSL-OAHLLOKOSA-N 2 0 255.450 1.894 10 0 CDAERP CCC[NH+]1CCC(C[NH3+])(N2CCSC[C@H]2C)CC1 ZINC000070219481 519842300 /nfs/dbraw/zinc/84/23/00/519842300.db2.gz NCOKNMHBQSLRSZ-CYBMUJFWSA-N 2 0 271.474 1.627 10 0 CDAERP CC[NH2+]Cc1ccccc1OCCOCC[NH+](C)C ZINC000052669652 520010813 /nfs/dbraw/zinc/01/08/13/520010813.db2.gz FNRMXYWVSBRFNM-UHFFFAOYSA-N 2 0 266.385 1.753 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000061271659 520064017 /nfs/dbraw/zinc/06/40/17/520064017.db2.gz JKNSHWAHQVQFBK-LBPRGKRZSA-N 2 0 269.433 1.754 10 0 CDAERP CC[NH2+][C@](C)(C[C@H](C)N1CC[NH+](C(C)(C)C)CC1)C(N)=O ZINC000068636458 520241261 /nfs/dbraw/zinc/24/12/61/520241261.db2.gz DHXXLZFCLIEGCK-XJKSGUPXSA-N 2 0 298.475 1.035 10 0 CDAERP CC[NH+]1CCC(N(C)C[C@@H](C)C[NH2+]C2CC2)CC1 ZINC000052543975 521561899 /nfs/dbraw/zinc/56/18/99/521561899.db2.gz AZJHQZGIBUFRCP-ZDUSSCGKSA-N 2 0 253.434 1.791 10 0 CDAERP CC[NH+]1CCC(N(C)c2ccnc(C(N)=[NH2+])c2)CC1 ZINC000061814295 521567353 /nfs/dbraw/zinc/56/73/53/521567353.db2.gz IXUACHRUYJSTJP-UHFFFAOYSA-N 2 0 261.373 1.286 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1CC[NH2+]CCc1ccsc1 ZINC000061655219 521867316 /nfs/dbraw/zinc/86/73/16/521867316.db2.gz CZLJZEODIHNIHT-OAHLLOKOSA-N 2 0 281.469 1.906 10 0 CDAERP C[C@@H](CC[NH2+]C/C=C/Cl)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001715649327 1179751855 /nfs/dbraw/zinc/75/18/55/1179751855.db2.gz SLZTZEVAURHWJR-QAIORIGISA-N 2 0 287.835 1.564 10 0 CDAERP C[NH2+]Cc1cn(CC[N@@H+]2CC[C@H](C)C[C@H]2C)nn1 ZINC000052510078 522143782 /nfs/dbraw/zinc/14/37/82/522143782.db2.gz YZJMMMLTJAMLDQ-NWDGAFQWSA-N 2 0 251.378 1.118 10 0 CDAERP CCCCC[N@H+](C)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001731262167 1182281216 /nfs/dbraw/zinc/28/12/16/1182281216.db2.gz HTFBDFZVLUVXJJ-UHFFFAOYSA-N 2 0 283.460 1.957 10 0 CDAERP C[NH2+][C@@H](C)CCNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC001771781679 1161964216 /nfs/dbraw/zinc/96/42/16/1161964216.db2.gz XJSOIPVUEJBUSH-SWLSCSKDSA-N 2 0 289.423 1.793 10 0 CDAERP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cnc(C)nc2)CC1 ZINC000356916997 517656578 /nfs/dbraw/zinc/65/65/78/517656578.db2.gz LLAOFPIIWWKRAR-CQSZACIVSA-N 2 0 291.443 1.148 10 0 CDAERP CC[NH2+][C@H](C)C[C@H](C)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000084392418 517669246 /nfs/dbraw/zinc/66/92/46/517669246.db2.gz XBVNXHCRCQYWCI-QLFBSQMISA-N 2 0 253.434 1.933 10 0 CDAERP CC(C)[NH2+]CC1(C[N@@H+]2CCC[C@H]2CO)CCOCC1 ZINC000052183317 519719568 /nfs/dbraw/zinc/71/95/68/519719568.db2.gz DLWDAKBBRLFBMW-AWEZNQCLSA-N 2 0 270.417 1.238 10 0 CDAERP CC(C)[NH2+]CC1(CN2CC[NH+](C)CC2)CCOCC1 ZINC000052180721 519719880 /nfs/dbraw/zinc/71/98/80/519719880.db2.gz BJEDERPCVSNFNS-UHFFFAOYSA-N 2 0 269.433 1.029 10 0 CDAERP CC(C)C[NH+]1CCN([C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000055076921 519727609 /nfs/dbraw/zinc/72/76/09/519727609.db2.gz UMDTXQZPXSKPDN-JTQLQIEISA-N 2 0 253.312 1.150 10 0 CDAERP CC(C)[NH2+]Cc1cn(CC[N@@H+]2CCC[C@H]2C)nn1 ZINC000052375925 519728755 /nfs/dbraw/zinc/72/87/55/519728755.db2.gz NTHIMASXUTYBOG-GFCCVEGCSA-N 2 0 251.378 1.260 10 0 CDAERP CC(C)[NH2+][C@@](CO)(CN1CC[C@H]([NH+]2CCCC2)C1)C1CC1 ZINC000070336447 519737752 /nfs/dbraw/zinc/73/77/52/519737752.db2.gz NGDJIRUJMCMDCH-DLBZAZTESA-N 2 0 295.471 1.296 10 0 CDAERP CC(C)C[NH2+]Cc1ccccc1N1CC[NH+](CCO)CC1 ZINC000062736245 519747727 /nfs/dbraw/zinc/74/77/27/519747727.db2.gz VNUAWYWITXMZPC-UHFFFAOYSA-N 2 0 291.439 1.547 10 0 CDAERP CC(C)C[NH2+]Cc1cn(CC[N@H+](C)C(C)C)nn1 ZINC000052419612 519747876 /nfs/dbraw/zinc/74/78/76/519747876.db2.gz WQYFYXUNZCGAKX-UHFFFAOYSA-N 2 0 253.394 1.364 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000049560231 519775486 /nfs/dbraw/zinc/77/54/86/519775486.db2.gz XPVUGBOMTJTQMA-MCIONIFRSA-N 2 0 269.433 1.467 10 0 CDAERP CC(C)[C@H](CN(C)C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C)C1 ZINC000049197538 519814700 /nfs/dbraw/zinc/81/47/00/519814700.db2.gz VWSVAOHISRIQHZ-ZNMIVQPWSA-N 2 0 255.450 1.893 10 0 CDAERP CCC[NH+]1CCC(C[NH3+])(N(CC)C[C@H]2CCCO2)CC1 ZINC000048953504 519842106 /nfs/dbraw/zinc/84/21/06/519842106.db2.gz PFKQJVXDHGUYQD-OAHLLOKOSA-N 2 0 283.460 1.691 10 0 CDAERP CCC[NH+]1CCC([C@@H](C)[NH2+]C[C@H]2CN(C)CCN2C)CC1 ZINC000068800922 519847938 /nfs/dbraw/zinc/84/79/38/519847938.db2.gz QXHZLLVZKIJDGL-WBVHZDCISA-N 2 0 296.503 1.332 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000061298324 519905279 /nfs/dbraw/zinc/90/52/79/519905279.db2.gz YGKKLDWESOGKKK-UHFFFAOYSA-N 2 0 255.406 1.223 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@H](C[N@H+](CC)[C@@H](C)COC)O1 ZINC000052505028 519939133 /nfs/dbraw/zinc/93/91/33/519939133.db2.gz KBMWXGBFASOPIA-RRFJBIMHSA-N 2 0 272.433 1.890 10 0 CDAERP CCC[NH2+][C@H](CN(C)C1CC[NH+](C)CC1)C1CC1 ZINC000069073547 520080774 /nfs/dbraw/zinc/08/07/74/520080774.db2.gz SNYRTMWOWLYEFR-OAHLLOKOSA-N 2 0 253.434 1.791 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)N1CC[NH+]([C@H](C)CC)CC1 ZINC000061274859 520164871 /nfs/dbraw/zinc/16/48/71/520164871.db2.gz DVVOICFGAHTFPP-CHWSQXEVSA-N 2 0 255.406 1.317 10 0 CDAERP CC[NH+](CC)CCCNC(=O)C1(CC)CC[NH2+]CC1 ZINC000062847753 520609392 /nfs/dbraw/zinc/60/93/92/520609392.db2.gz FJLLDRGOMFMHEU-UHFFFAOYSA-N 2 0 269.433 1.614 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000055086244 520617036 /nfs/dbraw/zinc/61/70/36/520617036.db2.gz NPAAONVVYDFJIB-CHWSQXEVSA-N 2 0 255.406 1.352 10 0 CDAERP CC[NH+](CC)CCNC(=O)[C@@H]1[C@H](C)CCC[C@@H]1[NH3+] ZINC000055123001 520681040 /nfs/dbraw/zinc/68/10/40/520681040.db2.gz AWMHUFRBPCVYSU-FRRDWIJNSA-N 2 0 255.406 1.208 10 0 CDAERP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000236901037 520724536 /nfs/dbraw/zinc/72/45/36/520724536.db2.gz RGIAUASQKWUEPY-BFHYXJOUSA-N 2 0 267.417 1.304 10 0 CDAERP CC[N@H+](CC1(C[NH2+]C)CCOCC1)[C@@H](C)COC ZINC000052182351 520937124 /nfs/dbraw/zinc/93/71/24/520937124.db2.gz FNFZEOMHIVOXCC-ZDUSSCGKSA-N 2 0 258.406 1.359 10 0 CDAERP CC[N@H+](CCN1CCC[NH2+]CC1)C1CCCCC1 ZINC000061274943 521044578 /nfs/dbraw/zinc/04/45/78/521044578.db2.gz PJTVLJZTDRLOCZ-UHFFFAOYSA-N 2 0 253.434 1.936 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000049227368 521647421 /nfs/dbraw/zinc/64/74/21/521647421.db2.gz LFLDFXKNAIOSDP-AWEZNQCLSA-N 2 0 276.384 1.751 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@@H]1CC[C@H]([NH3+])C[C@@H]1C ZINC000055139789 521654801 /nfs/dbraw/zinc/65/48/01/521654801.db2.gz CSWOATWVQOJUIJ-MELADBBJSA-N 2 0 269.433 1.550 10 0 CDAERP C[NH+](C)CCN1CCN([C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000061642422 521764760 /nfs/dbraw/zinc/76/47/60/521764760.db2.gz KZGGPQULZUDTPL-INIZCTEOSA-N 2 0 294.418 1.005 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1[C@@H](C[NH3+])c1ccc(F)cc1F ZINC000061642913 521872429 /nfs/dbraw/zinc/87/24/29/521872429.db2.gz TTZGWWHBQUXCKO-DOMZBBRYSA-N 2 0 283.366 1.991 10 0 CDAERP C[NH2+]C(C)(C)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000061319266 521935145 /nfs/dbraw/zinc/93/51/45/521935145.db2.gz QNBZGBVVZXZGQT-UHFFFAOYSA-N 2 0 253.390 1.071 10 0 CDAERP C[NH+](C)[C@@H]1CCN(Cc2cc(C[NH3+])ccc2F)C1 ZINC000062964467 522054310 /nfs/dbraw/zinc/05/43/10/522054310.db2.gz DPURYMDSNXAWLT-CYBMUJFWSA-N 2 0 251.349 1.420 10 0 CDAERP C[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)Cc2ccc(OC)cc2)O1 ZINC000052541674 522059696 /nfs/dbraw/zinc/05/96/96/522059696.db2.gz YGONPDVYSSXXDQ-HOTGVXAUSA-N 2 0 278.396 1.894 10 0 CDAERP C[NH2+]Cc1c(C)nn(C)c1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062981872 522099363 /nfs/dbraw/zinc/09/93/63/522099363.db2.gz OCGNDXYFMBLPCQ-ZDUSSCGKSA-N 2 0 277.416 1.122 10 0 CDAERP COc1cc(C[NH2+]CCCC[NH+](C)C)ccc1O ZINC000045662941 522446861 /nfs/dbraw/zinc/44/68/61/522446861.db2.gz AYIVROYTRBGXDF-UHFFFAOYSA-N 2 0 252.358 1.832 10 0 CDAERP C[NH2+][C@H]1c2ccccc2C[C@@H]1N1CCC[C@@H]1C[NH+](C)C ZINC000061643445 522510367 /nfs/dbraw/zinc/51/03/67/522510367.db2.gz VAYPYMLXOHELLS-PVAVHDDUSA-N 2 0 273.424 1.898 10 0 CDAERP C[N@H+](CCn1cc(C[NH3+])nn1)Cc1ccc(F)cc1 ZINC000052346183 522998703 /nfs/dbraw/zinc/99/87/03/522998703.db2.gz XJFKOSZGEGZGNE-UHFFFAOYSA-N 2 0 263.320 1.008 10 0 CDAERP CN(Cc1[nH+]c(NN)ccc1Cl)C1CC[NH+](C)CC1 ZINC000061638967 523554705 /nfs/dbraw/zinc/55/47/05/523554705.db2.gz WHFNNICJKJWWBY-UHFFFAOYSA-N 2 0 283.807 1.547 10 0 CDAERP C[N@@H+]1CCCN(C(=O)CC[C@H]2CCCC[NH2+]2)CC1 ZINC000050940841 523800159 /nfs/dbraw/zinc/80/01/59/523800159.db2.gz GRNMOLNEJCGWCB-CYBMUJFWSA-N 2 0 253.390 1.073 10 0 CDAERP COc1ccc(C)cc1CN1CC[NH+](CCCC[NH3+])CC1 ZINC000050702715 523810597 /nfs/dbraw/zinc/81/05/97/523810597.db2.gz PBCPTRPTOAHBGF-UHFFFAOYSA-N 2 0 291.439 1.860 10 0 CDAERP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH2+]2)[C@H]1c1ccccc1 ZINC000246003833 523985650 /nfs/dbraw/zinc/98/56/50/523985650.db2.gz SCPSDECTGQWNJB-SOUVJXGZSA-N 2 0 273.380 1.300 10 0 CDAERP C[NH+](C)CC1CC[NH+](Cc2cccnc2C(N)=[NH2+])CC1 ZINC000061658234 524049984 /nfs/dbraw/zinc/04/99/84/524049984.db2.gz MBFDIGBGNIQMPO-UHFFFAOYSA-N 3 0 275.400 1.139 10 0 CDAERP C[C@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)NCCCC[NH+](C)C ZINC000055138976 524204865 /nfs/dbraw/zinc/20/48/65/524204865.db2.gz VVURGLDYXJHJJV-RWMBFGLXSA-N 2 0 255.406 1.208 10 0 CDAERP C[C@@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)N(C)CC[NH+]1CCCC1 ZINC000063055102 524301997 /nfs/dbraw/zinc/30/19/97/524301997.db2.gz GXDDWHHRLBNNET-MGPQQGTHSA-N 2 0 267.417 1.304 10 0 CDAERP C[C@H](C[NH+]1CCCC1)NC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000055140695 524313289 /nfs/dbraw/zinc/31/32/89/524313289.db2.gz PPVXSXLPVYFRBK-MCIONIFRSA-N 2 0 267.417 1.495 10 0 CDAERP Cc1cc(C[NH2+]CCCN2CC[NH+](C)CC2)c(C)n1C ZINC000052789701 524755442 /nfs/dbraw/zinc/75/54/42/524755442.db2.gz YJKDWXRJDJGADY-UHFFFAOYSA-N 2 0 278.444 1.369 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCC(C)(C)C[NH+](C)C)CC[C@@H]1[NH3+] ZINC000055125289 524767357 /nfs/dbraw/zinc/76/73/57/524767357.db2.gz SCNVIJVYJXIQRN-AVGNSLFASA-N 2 0 269.433 1.454 10 0 CDAERP C[C@@H]1C[C@H]([NH3+])CC[C@@H]1C(=O)NCC[NH+]1CCCCC1 ZINC000055138401 525419025 /nfs/dbraw/zinc/41/90/25/525419025.db2.gz PHPJRJLDANXXJB-MCIONIFRSA-N 2 0 267.417 1.352 10 0 CDAERP Cc1ccc([C@@H]([C@@H](C)[NH3+])N2CCN(CC[NH+](C)C)CC2)o1 ZINC000061642331 525784878 /nfs/dbraw/zinc/78/48/78/525784878.db2.gz LMKAXHSCCMHKHB-GDBMZVCRSA-N 2 0 294.443 1.156 10 0 CDAERP C[C@@H]([C@@H]([NH3+])c1ccccc1)N1CCN(CC[NH+](C)C)CC1 ZINC000061643902 526018880 /nfs/dbraw/zinc/01/88/80/526018880.db2.gz BLGBVDSFYSJVQV-DOTOQJQBSA-N 2 0 290.455 1.254 10 0 CDAERP C[C@H]1CCCC[C@@H]1[N@H+](C)CCN1CCC[NH2+]CC1 ZINC000061275532 526255770 /nfs/dbraw/zinc/25/57/70/526255770.db2.gz JFPQIFLSUOALGL-GJZGRUSLSA-N 2 0 253.434 1.792 10 0 CDAERP c1ccc2c(c1)CC[N@@H+](CCN1CCC[NH2+]CC1)C2 ZINC000061274939 526502987 /nfs/dbraw/zinc/50/29/87/526502987.db2.gz WRRLGOAGMJTUTD-UHFFFAOYSA-N 2 0 259.397 1.340 10 0 CDAERP c1cnc(N2CC[NH+](CCC[C@@H]3CCC[NH2+]C3)CC2)nc1 ZINC000049842912 526541279 /nfs/dbraw/zinc/54/12/79/526541279.db2.gz WHVGYHDOJDUENG-HNNXBMFYSA-N 2 0 289.427 1.378 10 0 CDAERP C[NH2+]C[C@@H](C)CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000418388759 536450845 /nfs/dbraw/zinc/45/08/45/536450845.db2.gz NPTTVQFWMMCHAM-NEPJUHHUSA-N 2 0 278.400 1.361 10 0 CDAERP C[NH2+]Cc1ccccc1NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261661332 536470664 /nfs/dbraw/zinc/47/06/64/536470664.db2.gz AUKGIISPLGTLLM-DGCLKSJQSA-N 2 0 261.369 1.720 10 0 CDAERP Cc1nocc1C[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000339356956 526697135 /nfs/dbraw/zinc/69/71/35/526697135.db2.gz NONVWZLJMQSXSL-GFCCVEGCSA-N 2 0 266.389 1.099 10 0 CDAERP Cc1oc(CN2CCC[C@H]2C[NH+](C)C)cc1C[NH3+] ZINC000061654402 526770463 /nfs/dbraw/zinc/77/04/63/526770463.db2.gz GEJYOMWGCMSSHN-ZDUSSCGKSA-N 2 0 251.374 1.573 10 0 CDAERP NC(=[NH2+])c1cc(C[N@@H+]2CCC[C@@H]2CCCO)ccn1 ZINC000068761850 526819819 /nfs/dbraw/zinc/81/98/19/526819819.db2.gz VGJPOKXBGUNAGL-GFCCVEGCSA-N 2 0 262.357 1.103 10 0 CDAERP [NH3+]C[C@H](CN[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000061613698 527224854 /nfs/dbraw/zinc/22/48/54/527224854.db2.gz QUBOUKJRIDSEOQ-HUUCEWRRSA-N 2 0 259.397 1.555 10 0 CDAERP [NH3+]Cc1cn(CC[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)nn1 ZINC000052482318 527262812 /nfs/dbraw/zinc/26/28/12/527262812.db2.gz JOSWVSOSUAWJGP-QWHCGFSZSA-N 2 0 263.389 1.249 10 0 CDAERP [NH3+][C@H](CN1CCC(C[NH+]2CCCC2)CC1)C1CC1 ZINC000069075191 527385535 /nfs/dbraw/zinc/38/55/35/527385535.db2.gz SYVCTLCGYLMDKL-OAHLLOKOSA-N 2 0 251.418 1.532 10 0 CDAERP [NH3+][C@H]1CCCC[C@H]1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000055088331 527396002 /nfs/dbraw/zinc/39/60/02/527396002.db2.gz MTUUBJNKEZDQSH-CABCVRRESA-N 2 0 279.428 1.591 10 0 CDAERP CCC(CC)[C@@H](CNC(=O)NCCC[NH3+])[NH+]1CCCC1 ZINC000416959458 535105494 /nfs/dbraw/zinc/10/54/94/535105494.db2.gz QCCSDWJTVWRMBW-CQSZACIVSA-N 2 0 284.448 1.535 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)C1 ZINC000422746977 535175960 /nfs/dbraw/zinc/17/59/60/535175960.db2.gz XUTYJQFCFVMNQU-PVAVHDDUSA-N 2 0 295.471 1.463 10 0 CDAERP CC[NH+]1CCC(NC(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000416860305 535467934 /nfs/dbraw/zinc/46/79/34/535467934.db2.gz VQAOXVAJPLVYCT-UHFFFAOYSA-N 2 0 296.459 1.822 10 0 CDAERP CCC[C@@](C)([NH3+])C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000262705151 535523398 /nfs/dbraw/zinc/52/33/98/535523398.db2.gz LQWXICHSVLALBB-GDBMZVCRSA-N 2 0 297.443 1.075 10 0 CDAERP CC[NH+](CC)Cc1cccc(CNC2=[NH+]CCCN2)c1 ZINC000261898256 535609172 /nfs/dbraw/zinc/60/91/72/535609172.db2.gz VLBQLLYKBDAZSZ-UHFFFAOYSA-N 2 0 274.412 1.967 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+][C@H](C)[C@@H]2C[C@H]2C)CC1 ZINC000414052982 535698807 /nfs/dbraw/zinc/69/88/07/535698807.db2.gz AFVDPHWPBKUGIZ-RBSFLKMASA-N 2 0 253.434 1.648 10 0 CDAERP C[NH+](C)CCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250348042 535831961 /nfs/dbraw/zinc/83/19/61/535831961.db2.gz HVHGGEWFRZNCGM-RRFJBIMHSA-N 3 0 253.434 1.839 10 0 CDAERP COC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)nc1 ZINC000252873202 536679535 /nfs/dbraw/zinc/67/95/35/536679535.db2.gz UNGMJIQDXLFZMJ-AEGPPILISA-N 2 0 289.379 1.427 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H](C)N1CCCC[C@@H]1C ZINC000422869756 536850480 /nfs/dbraw/zinc/85/04/80/536850480.db2.gz XXNBHYXFSGDKIK-KKUMJFAQSA-N 2 0 271.449 1.593 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H](C)Oc1ccc(F)cc1 ZINC000422795344 536851021 /nfs/dbraw/zinc/85/10/21/536851021.db2.gz VJKIGYGQDWVIIP-JSGCOSHPSA-N 2 0 284.375 1.937 10 0 CDAERP CC(C)[C@H](C[NH2+][C@H]1CCCOC1)N1CC[NH+](C)CC1 ZINC000070464879 538389176 /nfs/dbraw/zinc/38/91/76/538389176.db2.gz DCIWIADIORTQBL-GJZGRUSLSA-N 2 0 269.433 1.027 10 0 CDAERP CC(=O)NC1CCC([NH2+]C2CC[NH+](C(C)C)CC2)CC1 ZINC000155243979 545574168 /nfs/dbraw/zinc/57/41/68/545574168.db2.gz JNUAZVIBSOBKKR-UHFFFAOYSA-N 2 0 281.444 1.896 10 0 CDAERP Cc1nn(C)c2sc([C@H]3[NH2+]CCC[C@H]3C[NH3+])cc12 ZINC000757207115 574904718 /nfs/dbraw/zinc/90/47/18/574904718.db2.gz BARUIZOPRYEWPM-CABZTGNLSA-N 2 0 264.398 1.943 10 0 CDAERP CCOC(=O)[C@@H]1CCC[NH2+][C@@H]1[C@H]1CC[NH2+][C@@H](C)C1 ZINC000757241331 577037021 /nfs/dbraw/zinc/03/70/21/577037021.db2.gz WVUTVHXVBKWGRK-WUHRBBMRSA-N 2 0 254.374 1.306 10 0 CDAERP C[NH2+]C[C@H]1CCC[N@H+](C[C@H]2CC3(CCC3)CO2)C1 ZINC000872142375 620694330 /nfs/dbraw/zinc/69/43/30/620694330.db2.gz ROBLGBVYBQDFNL-ZIAGYGMSSA-N 2 0 252.402 1.877 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]CCCOCC2CCOCC2)C12CCC2 ZINC000925510962 617413487 /nfs/dbraw/zinc/41/34/87/617413487.db2.gz CVAQCWCVPQNKPB-HUUCEWRRSA-N 2 0 282.428 1.679 10 0 CDAERP CNC(=O)c1cccc(CC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925511811 617416178 /nfs/dbraw/zinc/41/61/78/617416178.db2.gz UXAFQWFHRXWXQV-HUUCEWRRSA-N 2 0 287.407 1.448 10 0 CDAERP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925515963 617425213 /nfs/dbraw/zinc/42/52/13/617425213.db2.gz KCMVPJIRRNEPAZ-HQKVKAATSA-N 2 0 288.439 1.554 10 0 CDAERP [NH3+][C@H]1C[C@@H]([NH2+]CCN2CCc3ccccc3C2)C12CCC2 ZINC000925526119 617448181 /nfs/dbraw/zinc/44/81/81/617448181.db2.gz GZSHUNPITBHEDQ-DLBZAZTESA-N 2 0 285.435 1.904 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@@H](O)COc2ccccc2)C1 ZINC000925532151 617464644 /nfs/dbraw/zinc/46/46/44/617464644.db2.gz DGOZVESGBDMTLU-RBSFLKMASA-N 2 0 292.423 1.922 10 0 CDAERP CC1(C)C[C@@H]([NH2+]C[C@H](O)COc2ccccc2)C[C@@H]([NH3+])C1 ZINC000925532148 617464658 /nfs/dbraw/zinc/46/46/58/617464658.db2.gz DGOZVESGBDMTLU-ILXRZTDVSA-N 2 0 292.423 1.922 10 0 CDAERP O=C1CCCCN1CCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925549523 617496680 /nfs/dbraw/zinc/49/66/80/617496680.db2.gz MKXQJRVCTYFZMV-CQSZACIVSA-N 2 0 279.428 1.653 10 0 CDAERP CC(C)(C)S(=O)(=O)CCN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925597589 617541625 /nfs/dbraw/zinc/54/16/25/617541625.db2.gz HQSNVKAWZODEDA-WDEREUQCSA-N 2 0 274.430 1.059 10 0 CDAERP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)C(=O)NC(C)(C)C ZINC000925600654 617544009 /nfs/dbraw/zinc/54/40/09/617544009.db2.gz HXDBEINIMHQBOO-SRVKXCTJSA-N 2 0 269.433 1.785 10 0 CDAERP Cc1c(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)cnn1C ZINC000925612295 617556821 /nfs/dbraw/zinc/55/68/21/617556821.db2.gz RBDVFTQGUMPPSW-STQMWFEESA-N 2 0 250.390 1.724 10 0 CDAERP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925813009 617758518 /nfs/dbraw/zinc/75/85/18/617758518.db2.gz QSGYQTXRDUOODP-RHSMWYFYSA-N 2 0 291.439 1.775 10 0 CDAERP C[N@@H+]1C[C@@H]2C[NH+](CCC(=O)Nc3ccccc3)C[C@]2(C)C1 ZINC000933743072 617605987 /nfs/dbraw/zinc/60/59/87/617605987.db2.gz VNXYLZLURBCQHC-PBHICJAKSA-N 2 0 287.407 1.899 10 0 CDAERP [NH3+][C@H]1C[C@@H]([NH2+]CCc2ccc3c[nH]nc3c2)C12CCC2 ZINC000925665362 617616018 /nfs/dbraw/zinc/61/60/18/617616018.db2.gz DPQJCTNUHJRBHT-LSDHHAIUSA-N 2 0 270.380 1.965 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H]2CCCN(CCCO)C2)C1 ZINC000925678138 617647087 /nfs/dbraw/zinc/64/70/87/617647087.db2.gz CPZIYHVJPIOBHA-RBSFLKMASA-N 2 0 283.460 1.329 10 0 CDAERP CC1(C)[C@H](N[C@H]2CCC[N@H+](CCCO)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925678525 617648248 /nfs/dbraw/zinc/64/82/48/617648248.db2.gz FNPCFNBVDJALMB-XUWVNRHRSA-N 2 0 295.471 1.199 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@@H]2CCCCN2CCO)C1 ZINC000925681139 617656078 /nfs/dbraw/zinc/65/60/78/617656078.db2.gz SMMGETDFFCYKBD-KFWWJZLASA-N 2 0 283.460 1.329 10 0 CDAERP CCn1cc(CCN2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)cn1 ZINC000931314630 617709124 /nfs/dbraw/zinc/70/91/24/617709124.db2.gz QFRBWZRVVWVOSQ-IYBDPMFKSA-N 2 0 276.428 1.719 10 0 CDAERP CC(C)OC[C@@H](O)CN1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931318021 617713867 /nfs/dbraw/zinc/71/38/67/617713867.db2.gz RCILQBUFYMSCNK-KKUMJFAQSA-N 2 0 270.417 1.046 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H](CO)Cc1ccoc1 ZINC000926847742 617761575 /nfs/dbraw/zinc/76/15/75/617761575.db2.gz ZVIAGOOEDDVMFF-JZWPEALZSA-N 2 0 278.396 1.360 10 0 CDAERP CC1(C)[C@H]([NH2+]CCO[C@@H]2CC2(F)F)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925712157 617812189 /nfs/dbraw/zinc/81/21/89/617812189.db2.gz PNXXXLJKBNUARR-WISYIIOYSA-N 2 0 274.355 1.777 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000925717667 617837841 /nfs/dbraw/zinc/83/78/41/617837841.db2.gz CTYRUWYPGNILKW-HZSPNIEDSA-N 2 0 256.390 1.017 10 0 CDAERP O=C1O[C@@H](C[NH2+][C@H]2CCC23CCC3)CC12CC[NH2+]CC2 ZINC000925850796 617887312 /nfs/dbraw/zinc/88/73/12/617887312.db2.gz QEPAVTLIYIHUBE-OLZOCXBDSA-N 2 0 278.396 1.594 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@]1(C(F)(F)F)CCCN1 ZINC000925852721 617890158 /nfs/dbraw/zinc/89/01/58/617890158.db2.gz GIAYAVURCIJUMG-QJPTWQEYSA-N 2 0 279.350 1.778 10 0 CDAERP C[C@H]([NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)C1CC[NH2+]CC1 ZINC000925727259 617973444 /nfs/dbraw/zinc/97/34/44/617973444.db2.gz CZCVYUGJXGMMOA-ATGSNQNLSA-N 3 0 265.445 1.741 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](CO)Cc2ccc(F)cc2)C12CCC2 ZINC000925506009 618178197 /nfs/dbraw/zinc/17/81/97/618178197.db2.gz VMCBCGRRSWNHLM-FVQBIDKESA-N 2 0 292.398 1.836 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)C[C@@H](O)c1ccc(C)cc1 ZINC000923403857 618325586 /nfs/dbraw/zinc/32/55/86/618325586.db2.gz TWYMFRUAFUOTAO-OAHLLOKOSA-N 2 0 266.385 1.196 10 0 CDAERP O=C1NCC[C@@H]2CCC[N@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@@H]12 ZINC000923427777 618335456 /nfs/dbraw/zinc/33/54/56/618335456.db2.gz VRYVQRXNSNVQFJ-XRMFNRFGSA-N 2 0 291.439 1.508 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](O)c1ccc(C)cc1 ZINC000817891731 618485588 /nfs/dbraw/zinc/48/55/88/618485588.db2.gz FTXMJKKCGFFFRD-LSDHHAIUSA-N 2 0 266.385 1.372 10 0 CDAERP C[C@@H]1COC[C@@H](C)C1[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000925021819 618792135 /nfs/dbraw/zinc/79/21/35/618792135.db2.gz BWRNTGXIQISPPP-RBSFLKMASA-N 2 0 284.444 1.484 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NCCC[NH2+]C2CCCCC2)C1 ZINC000896446324 620099818 /nfs/dbraw/zinc/09/98/18/620099818.db2.gz YYTKBRBZQBDLKX-CQSZACIVSA-N 2 0 281.444 1.757 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC000897788487 621123954 /nfs/dbraw/zinc/12/39/54/621123954.db2.gz FKMYAINTGIDZHE-HOCLYGCPSA-N 2 0 281.444 1.709 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000901326482 624183241 /nfs/dbraw/zinc/18/32/41/624183241.db2.gz IHJFUIKKZLORPC-KGLIPLIRSA-N 2 0 267.417 1.413 10 0 CDAERP COC[C@H](CO)[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000902975926 625712257 /nfs/dbraw/zinc/71/22/57/625712257.db2.gz KRZNLCYNLSMLCP-OCCSQVGLSA-N 2 0 275.352 1.530 10 0 CDAERP C(C[NH2+][C@@H]1CCO[C@@]12CCOC2)C[NH+]1CCCCC1 ZINC000903060200 625810996 /nfs/dbraw/zinc/81/09/96/625810996.db2.gz SYZGOVTULYWVAF-HUUCEWRRSA-N 2 0 268.401 1.400 10 0 CDAERP CO[C@]1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CCSC1 ZINC000903315104 625970363 /nfs/dbraw/zinc/97/03/63/625970363.db2.gz SKJAAIAUECLYPK-TUVASFSCSA-N 2 0 284.469 1.971 10 0 CDAERP CC(C)C(=O)NC[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903433075 625990649 /nfs/dbraw/zinc/99/06/49/625990649.db2.gz SXQAITGLVVGDJO-ILXRZTDVSA-N 2 0 281.444 1.326 10 0 CDAERP C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000903439744 625992750 /nfs/dbraw/zinc/99/27/50/625992750.db2.gz NNTABDKCPNHPNV-ZOBORPQBSA-N 2 0 288.457 1.401 10 0 CDAERP COC(=O)[C@@H]1CC12CC[NH+](C[C@@H]1CC[C@H]([NH3+])C1)CC2 ZINC000903455359 626001947 /nfs/dbraw/zinc/00/19/47/626001947.db2.gz VOBOTVMYSPVXBH-AGIUHOORSA-N 2 0 266.385 1.389 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(CC(=O)N(C)C)CC1 ZINC000903457321 626002677 /nfs/dbraw/zinc/00/26/77/626002677.db2.gz QOGRKSONZOSAFM-OCCSQVGLSA-N 2 0 267.417 1.032 10 0 CDAERP COc1ccc([C@H]2C[NH2+]CCN2C[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000903482777 626006855 /nfs/dbraw/zinc/00/68/55/626006855.db2.gz SHCVHESCPFJSEH-UKPHBRMFSA-N 2 0 289.423 1.497 10 0 CDAERP C[C@@H](C(=O)NCc1ccccc1)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903494901 626011330 /nfs/dbraw/zinc/01/13/30/626011330.db2.gz PVUVUVXOEQAQPY-IJEWVQPXSA-N 2 0 289.423 1.608 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)NC(C2CC2)C2CC2)C[C@H]1CC[NH3+] ZINC000903496460 626011958 /nfs/dbraw/zinc/01/19/58/626011958.db2.gz OPKDWTHIMCLYMS-BXUZGUMPSA-N 2 0 279.428 1.208 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)N(C2CC2)C2CCCC2)C[C@H]1CC[NH3+] ZINC000903497299 626012202 /nfs/dbraw/zinc/01/22/02/626012202.db2.gz UMZJOJXYZALUBW-ZIAGYGMSSA-N 2 0 293.455 1.837 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H]([C@]2(C)COC(=O)N2)C1 ZINC000903561256 626019327 /nfs/dbraw/zinc/01/93/27/626019327.db2.gz HQLYEIJZZWVAOS-COMQUAJESA-N 2 0 281.400 1.052 10 0 CDAERP CCOC(=O)N1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903888671 626123882 /nfs/dbraw/zinc/12/38/82/626123882.db2.gz INKYXRLQGTZBAA-GOOCMWNKSA-N 2 0 295.427 1.681 10 0 CDAERP [NH3+][C@H](CC(F)F)CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000903874148 626127652 /nfs/dbraw/zinc/12/76/52/626127652.db2.gz TXBHVCSPSKZTHN-IJLUTSLNSA-N 2 0 261.360 1.433 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@@H+](C(C)C)C2CC2)cnn1C ZINC000903883953 626132572 /nfs/dbraw/zinc/13/25/72/626132572.db2.gz MWDBMDASCKOFDE-ZDUSSCGKSA-N 2 0 264.417 1.719 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)C[C@H]2CCCCO2)cnn1C ZINC000903887051 626134306 /nfs/dbraw/zinc/13/43/06/626134306.db2.gz WYQJAVHTLINGBE-GOEBONIOSA-N 2 0 294.443 1.347 10 0 CDAERP C[N@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)[C@H](CO)C(C)(C)C ZINC000903897280 626137088 /nfs/dbraw/zinc/13/70/88/626137088.db2.gz GRMFQYXBEYQAOM-TZMCWYRMSA-N 2 0 295.431 1.041 10 0 CDAERP C[C@H](CO)[N@H+](CC1CCC1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903928152 626149647 /nfs/dbraw/zinc/14/96/47/626149647.db2.gz WNIATLRVHKSRPY-OHRKKDJYSA-N 2 0 266.429 2.000 10 0 CDAERP C[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC[NH2+]CC1 ZINC000903937669 626155462 /nfs/dbraw/zinc/15/54/62/626155462.db2.gz PIGXUYNPXXCEEH-IKKMQULASA-N 3 0 251.418 1.495 10 0 CDAERP [NH3+]C[C@@H]1CN(C[C@@H]([NH3+])CC(F)F)C[C@H]1C(F)(F)F ZINC000903937847 626155520 /nfs/dbraw/zinc/15/55/20/626155520.db2.gz SMCLDJFQHQNUOJ-GJMOJQLCSA-N 2 0 275.265 1.038 10 0 CDAERP C[C@H]1C[C@@H](CN2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CC[NH2+]1 ZINC000903982917 626172224 /nfs/dbraw/zinc/17/22/24/626172224.db2.gz ZMWYFLXELPDDHN-UKKRHICBSA-N 2 0 265.323 1.196 10 0 CDAERP c1nnn([C@H]2CCC[NH2+]C2)c1C[NH2+][C@]12C[C@H]1CCC2 ZINC000904444076 626299675 /nfs/dbraw/zinc/29/96/75/626299675.db2.gz ONCHOVOFYUCBRK-MBNYWOFBSA-N 2 0 261.373 1.235 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=[NH2+])NC[C@H]2CCCS2)C1 ZINC000905043875 626382824 /nfs/dbraw/zinc/38/28/24/626382824.db2.gz ZYUDJMMDRGGDEL-VXGBXAGGSA-N 2 0 270.446 1.338 10 0 CDAERP C[N@@H+]1CCC[C@@H](CCNC(=[NH2+])NC[C@H]2CCCS2)C1 ZINC000905044913 626384028 /nfs/dbraw/zinc/38/40/28/626384028.db2.gz WDOUKMLSRRCUOC-QWHCGFSZSA-N 2 0 284.473 1.728 10 0 CDAERP C[C@H](CNC(=[NH2+])NC[C@H]1CCCS1)C[NH+](C)C ZINC000905049839 626386173 /nfs/dbraw/zinc/38/61/73/626386173.db2.gz RQXSXCAOWUGLTB-GHMZBOCLSA-N 2 0 258.435 1.194 10 0 CDAERP CN(Cc1nc(CC2CC[NH2+]CC2)no1)[C@@H]1CCSC1 ZINC000905311485 626743238 /nfs/dbraw/zinc/74/32/38/626743238.db2.gz VPLVRWKRACWPCW-GFCCVEGCSA-N 2 0 296.440 1.549 10 0 CDAERP C[C@]1([NH3+])CCCC[C@@H]1c1nc(CC2CC[NH2+]CC2)no1 ZINC000905313792 626744371 /nfs/dbraw/zinc/74/43/71/626744371.db2.gz NVDKTCOYBHNKHG-DOMZBBRYSA-N 2 0 278.400 1.987 10 0 CDAERP C[NH+](C)C1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC000911192093 629193433 /nfs/dbraw/zinc/19/34/33/629193433.db2.gz AQNRHDMNLWXIQA-UHFFFAOYSA-N 2 0 265.401 1.071 10 0 CDAERP Cc1ccc(O)cc1C(=O)NCCN(C)CCC[NH+](C)C ZINC000912386386 629956236 /nfs/dbraw/zinc/95/62/36/629956236.db2.gz DHCAZNBMUBMGAN-UHFFFAOYSA-N 2 0 293.411 1.314 10 0 CDAERP C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)C12CC[NH+](CC1)C2 ZINC000912649558 630126426 /nfs/dbraw/zinc/12/64/26/630126426.db2.gz WLTIWMQNMMPZBK-GJZGRUSLSA-N 2 0 293.455 1.804 10 0 CDAERP C[NH+](C)CCCC[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000924852179 630310127 /nfs/dbraw/zinc/31/01/27/630310127.db2.gz FFGUDGMATAHDJN-CABCVRRESA-N 3 0 253.434 1.935 10 0 CDAERP C[N@H+](C[C@H]1CCC2(COC2)O1)C[C@@H]1CCC[NH+](C)C1 ZINC000929699091 630708950 /nfs/dbraw/zinc/70/89/50/630708950.db2.gz DYYWBUBWCNVCLH-ZIAGYGMSSA-N 2 0 268.401 1.208 10 0 CDAERP C[C@@H]1[C@H](NC(=O)NCC2([NH+](C)C)CCCC2)CC[N@@H+]1C ZINC000913875656 630858577 /nfs/dbraw/zinc/85/85/77/630858577.db2.gz XKRSEBQORXCHNQ-CHWSQXEVSA-N 2 0 282.432 1.253 10 0 CDAERP C[C@H]1[C@@H](NC(=O)NCC[NH+]2CCC[C@@H](C)C2)CC[N@@H+]1C ZINC000914076043 631011837 /nfs/dbraw/zinc/01/18/37/631011837.db2.gz OHWAZXYZYVGQMJ-RDBSUJKOSA-N 2 0 282.432 1.110 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H]1CC[NH+](C)[C@H]1C ZINC000914341905 631355310 /nfs/dbraw/zinc/35/53/10/631355310.db2.gz UMDZFBKQGYJQJX-QPSCCSFWSA-N 2 0 296.459 1.499 10 0 CDAERP C[NH+](C)Cc1ccc(C[N@H+](C)CCO[C@@H]2CCOC2)cc1 ZINC000930117106 632723297 /nfs/dbraw/zinc/72/32/97/632723297.db2.gz GFYYTQDLIVLTHR-QGZVFWFLSA-N 2 0 292.423 1.986 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC000920515960 632801431 /nfs/dbraw/zinc/80/14/31/632801431.db2.gz XQAFBVFZAKKWJK-DZGCQCFKSA-N 2 0 296.459 1.500 10 0 CDAERP CC[NH+]1CCC(C[NH2+]Cc2c3c(nn2C)CCOC3)CC1 ZINC000921685939 633174904 /nfs/dbraw/zinc/17/49/04/633174904.db2.gz CIGIILRGSYJFFY-UHFFFAOYSA-N 2 0 292.427 1.314 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001670545342 1158635186 /nfs/dbraw/zinc/63/51/86/1158635186.db2.gz UUXLMUJWPXJXKB-ZBFHGGJFSA-N 2 0 293.455 1.779 10 0 CDAERP CC[N@@H+](CC=C(C)C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001691047822 1158736203 /nfs/dbraw/zinc/73/62/03/1158736203.db2.gz KOPSRCCMABUUDO-OAHLLOKOSA-N 2 0 281.444 1.733 10 0 CDAERP C[C@H](F)CC[NH2+]CCN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001691348249 1159029215 /nfs/dbraw/zinc/02/92/15/1159029215.db2.gz TXVGKJXEVNNTHJ-LBPRGKRZSA-N 2 0 273.396 1.267 10 0 CDAERP CC[N@H+](CCNC(=O)N[C@@H]1CC[C@H]2C[NH+](C)C[C@H]21)C1CC1 ZINC001649280269 1158564444 /nfs/dbraw/zinc/56/44/44/1158564444.db2.gz XREBYZRHIJZIHC-NWANDNLSSA-N 2 0 294.443 1.110 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001417759099 1158703275 /nfs/dbraw/zinc/70/32/75/1158703275.db2.gz QMRJUEZUTPLHLK-HOTGVXAUSA-N 2 0 295.471 1.907 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2CC[NH2+]CCCF)C1 ZINC001732520589 1160664756 /nfs/dbraw/zinc/66/47/56/1160664756.db2.gz TWJOPITZQPPNFF-LSDHHAIUSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001700452856 1160669422 /nfs/dbraw/zinc/66/94/22/1160669422.db2.gz UMSLCDGHFCVOGA-STQMWFEESA-N 2 0 255.406 1.173 10 0 CDAERP CCc1cc(=O)[nH]c(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)n1 ZINC000923500710 1161544655 /nfs/dbraw/zinc/54/46/55/1161544655.db2.gz XAYURSVRSOHCKW-WDEREUQCSA-N 2 0 264.373 1.161 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000813437460 1163888776 /nfs/dbraw/zinc/88/87/76/1163888776.db2.gz XXTQPROGURIWNL-BBRMVZONSA-N 2 0 299.434 1.752 10 0 CDAERP [NH3+]CCCCCC[N@@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000846223908 1164433493 /nfs/dbraw/zinc/43/34/93/1164433493.db2.gz QGRNUWAEJMLUGP-KBPBESRZSA-N 2 0 267.417 1.496 10 0 CDAERP C[C@@H]1C[C@H]1NC(=[NH2+])NCCCCC[NH+]1CCCC1 ZINC000864465737 1164549798 /nfs/dbraw/zinc/54/97/98/1164549798.db2.gz BPXKMSYCVFLHGR-CHWSQXEVSA-N 2 0 252.406 1.775 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C1CCC1)[C@@H]1CCCO1 ZINC000866263645 1164760281 /nfs/dbraw/zinc/76/02/81/1164760281.db2.gz RMPRBVVEIHRCHE-HYVNUMGLSA-N 2 0 295.471 1.560 10 0 CDAERP C[NH2+]CC1CC[NH+](CCc2ccc(C(N)=O)cc2)CC1 ZINC000866659948 1164802916 /nfs/dbraw/zinc/80/29/16/1164802916.db2.gz YNLRNSODHPDYEG-UHFFFAOYSA-N 2 0 275.396 1.259 10 0 CDAERP COCc1ncc2c(n1)CC[N@@H+](CCCCCCC[NH3+])C2 ZINC000866671983 1164806510 /nfs/dbraw/zinc/80/65/10/1164806510.db2.gz DDNVTJRWZAYFHX-UHFFFAOYSA-N 2 0 292.427 1.890 10 0 CDAERP [NH3+]CCCCCCCN1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000866718163 1164813131 /nfs/dbraw/zinc/81/31/31/1164813131.db2.gz YCZSEWAGODVWMQ-CABCVRRESA-N 2 0 253.434 1.970 10 0 CDAERP CCC(CC)C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866712238 1164814017 /nfs/dbraw/zinc/81/40/17/1164814017.db2.gz RTLGFINJUWESQH-MJBXVCDLSA-N 2 0 281.400 1.290 10 0 CDAERP CC1(C)[C@H]([NH3+])c2ccccc2N1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000867986568 1164895023 /nfs/dbraw/zinc/89/50/23/1164895023.db2.gz CXNXZFDJCCTFLP-BXUZGUMPSA-N 2 0 273.380 1.811 10 0 CDAERP CN(C[C@H]1CCC[N@@H+]1C)N1CCCCC[C@@H]([NH3+])C1 ZINC000868392290 1164942475 /nfs/dbraw/zinc/94/24/75/1164942475.db2.gz WXDUJRDFHCRJTR-ZIAGYGMSSA-N 2 0 254.422 1.131 10 0 CDAERP CC1(C)[C@@H]([NH2+]CCc2ccccn2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925494275 1164971635 /nfs/dbraw/zinc/97/16/35/1164971635.db2.gz JQEUDQVICSJCHA-ILXRZTDVSA-N 2 0 259.397 1.990 10 0 CDAERP CN1Cc2ccccc2[C@@H]1CNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000870979948 1165245922 /nfs/dbraw/zinc/24/59/22/1165245922.db2.gz UMQOSRNGRARIKZ-GJZGRUSLSA-N 2 0 273.380 1.417 10 0 CDAERP CC[C@@H]([NH2+]C)C(=O)NC[C@H]1c2ccccc2CN1C ZINC000870979584 1165246301 /nfs/dbraw/zinc/24/63/01/1165246301.db2.gz PGRUMPCDBSIJIM-KGLIPLIRSA-N 2 0 261.369 1.287 10 0 CDAERP CC[NH+](CC)CC(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000870991574 1165250237 /nfs/dbraw/zinc/25/02/37/1165250237.db2.gz LGFJRXPDIVYSTE-HNNXBMFYSA-N 2 0 269.433 1.552 10 0 CDAERP C1C[C@@H]2[NH2+]CC[C@]2(c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)C1 ZINC000871801200 1165348175 /nfs/dbraw/zinc/34/81/75/1165348175.db2.gz LMLUJWUXVCUQGL-OBLJMSBUSA-N 2 0 288.395 1.851 10 0 CDAERP CC(C)[NH+](CCC[NH2+]C[C@H](O)CC(C)(C)O)C(C)C ZINC000872203204 1165393208 /nfs/dbraw/zinc/39/32/08/1165393208.db2.gz CZAHUYFXIFFVHJ-CQSZACIVSA-N 2 0 274.449 1.607 10 0 CDAERP C[NH+](C)CCN(C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)c1ccccc1 ZINC000872280574 1165409983 /nfs/dbraw/zinc/40/99/83/1165409983.db2.gz MZDWLLMWQDCBDX-KEYYUXOJSA-N 2 0 287.407 1.709 10 0 CDAERP C[NH+](C)CC1CN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001627883608 1166021662 /nfs/dbraw/zinc/02/16/62/1166021662.db2.gz XUTSCEGSXZXWEU-KGLIPLIRSA-N 2 0 267.417 1.127 10 0 CDAERP CCN1CC[C@@H]1C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC001634074641 1166468061 /nfs/dbraw/zinc/46/80/61/1166468061.db2.gz RIMBMGXYAFRISP-QWHCGFSZSA-N 2 0 253.390 1.023 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CCC12CC[NH+](C)CC2 ZINC001637425087 1166755390 /nfs/dbraw/zinc/75/53/90/1166755390.db2.gz OQKLDEYXQWQNKE-CYBMUJFWSA-N 2 0 267.417 1.271 10 0 CDAERP CC[N@@H+](CC=C(C)C)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001566575092 1168342512 /nfs/dbraw/zinc/34/25/12/1168342512.db2.gz UQBOXUOVPWMCDA-OAHLLOKOSA-N 2 0 281.444 1.733 10 0 CDAERP CCC[N@H+](C)CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001567288619 1168660407 /nfs/dbraw/zinc/66/04/07/1168660407.db2.gz LUWQDGJAGZHJSL-UONOGXRCSA-N 2 0 267.417 1.461 10 0 CDAERP CCCC[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001569075999 1169633321 /nfs/dbraw/zinc/63/33/21/1169633321.db2.gz MMGYKQDDQYMPBH-IHRRRGAJSA-N 2 0 269.433 1.611 10 0 CDAERP CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001571419899 1170420438 /nfs/dbraw/zinc/42/04/38/1170420438.db2.gz ZSIPTNGCVHEMBY-UONOGXRCSA-N 2 0 269.433 1.563 10 0 CDAERP O=C(CCC[NH+]1CCCC1)N[C@@H]1CC[C@@H](C[NH2+]CCF)C1 ZINC001571550254 1170473734 /nfs/dbraw/zinc/47/37/34/1170473734.db2.gz MGEQEJZOEPJGPJ-HUUCEWRRSA-N 2 0 299.434 1.706 10 0 CDAERP C[C@@H]1C[C@@H](C[N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)CCO1 ZINC001656310892 1171808511 /nfs/dbraw/zinc/80/85/11/1171808511.db2.gz CACPCLOBBHODLW-BARDWOONSA-N 2 0 252.402 1.685 10 0 CDAERP CCC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001661127976 1172340367 /nfs/dbraw/zinc/34/03/67/1172340367.db2.gz VIECSQUAZSEDHK-MRVWCRGKSA-N 2 0 267.417 1.221 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001661318028 1172368227 /nfs/dbraw/zinc/36/82/27/1172368227.db2.gz SUDVXTXMPGYUQK-ZDUSSCGKSA-N 2 0 267.417 1.461 10 0 CDAERP COCCC[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001665469588 1173001474 /nfs/dbraw/zinc/00/14/74/1173001474.db2.gz NSJKLFBVIFFQAZ-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001667770944 1173323093 /nfs/dbraw/zinc/32/30/93/1173323093.db2.gz OJNADSLXOXXIME-ZIAGYGMSSA-N 2 0 269.433 1.610 10 0 CDAERP CCCC[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001669207368 1173516688 /nfs/dbraw/zinc/51/66/88/1173516688.db2.gz MFVJTNNFXCULFT-ZPIQOJFGSA-N 2 0 281.444 1.923 10 0 CDAERP CCC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001670276382 1173669286 /nfs/dbraw/zinc/66/92/86/1173669286.db2.gz YLQSQKFTSRAZHK-CABCVRRESA-N 2 0 281.444 1.851 10 0 CDAERP CCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001690463885 1175476790 /nfs/dbraw/zinc/47/67/90/1175476790.db2.gz CSEQSCHOZVNNLH-CABCVRRESA-N 2 0 281.444 1.851 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCC(C)(C)C)C1 ZINC001690701900 1175548689 /nfs/dbraw/zinc/54/86/89/1175548689.db2.gz RQXWJKGUGKMXER-HUUCEWRRSA-N 2 0 295.471 1.955 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001690756707 1175565082 /nfs/dbraw/zinc/56/50/82/1175565082.db2.gz XMXIHKRXCKUYBC-AWEZNQCLSA-N 2 0 267.417 1.320 10 0 CDAERP CC(C)[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001690857113 1175592680 /nfs/dbraw/zinc/59/26/80/1175592680.db2.gz CGCZJGFBTROXNF-OLZOCXBDSA-N 2 0 255.406 1.364 10 0 CDAERP CC[NH2+]C[C@@H](CC(C)C)NC(=O)C[NH+]1CCCC1 ZINC001698880676 1175975936 /nfs/dbraw/zinc/97/59/36/1175975936.db2.gz VYQJHATUQCDYIK-CYBMUJFWSA-N 2 0 255.406 1.223 10 0 CDAERP C[C@@H](CC[NH2+]CCC1CC1)NC(=O)C1([NH+](C)C)CCC1 ZINC001699105584 1176094731 /nfs/dbraw/zinc/09/47/31/1176094731.db2.gz HTLCVVXUBPTLAJ-ZDUSSCGKSA-N 2 0 281.444 1.755 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(CC)CC[NH2+]CC)C1 ZINC001699199267 1176135679 /nfs/dbraw/zinc/13/56/79/1176135679.db2.gz JQKMZJIDWOGCOA-CQSZACIVSA-N 2 0 269.433 1.566 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001699427291 1176390575 /nfs/dbraw/zinc/39/05/75/1176390575.db2.gz RFGMCUVLUKNGGO-ZDUSSCGKSA-N 2 0 267.417 1.223 10 0 CDAERP CN(CCC[NH2+]CCC1CCCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001699550900 1176472039 /nfs/dbraw/zinc/47/20/39/1176472039.db2.gz NMQSZCLJTSHWBC-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP CCOCC[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001700180710 1176784206 /nfs/dbraw/zinc/78/42/06/1176784206.db2.gz GZSLXKBZWKBRDZ-OAHLLOKOSA-N 2 0 299.459 1.335 10 0 CDAERP CC/C=C/CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001700469995 1176961114 /nfs/dbraw/zinc/96/11/14/1176961114.db2.gz JIAJNPXCOVWUKP-WLBISTCBSA-N 2 0 281.444 1.873 10 0 CDAERP CCCCC[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001700475840 1176965646 /nfs/dbraw/zinc/96/56/46/1176965646.db2.gz ZLCPETIPGJDPKQ-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H](C[NH2+]C/C=C\Cl)C1 ZINC001700643448 1177050921 /nfs/dbraw/zinc/05/09/21/1177050921.db2.gz BAXDJMAJXUWSLM-YSEVBGJFSA-N 2 0 285.819 1.319 10 0 CDAERP CC(C)COCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001700820457 1177149100 /nfs/dbraw/zinc/14/91/00/1177149100.db2.gz CJZNWTBECJCXQR-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)OC[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000218760423 1177887885 /nfs/dbraw/zinc/88/78/85/1177887885.db2.gz RHWPZBLUZYZSNF-UONOGXRCSA-N 2 0 258.406 1.092 10 0 CDAERP COC[C@@H](C)[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001712967493 1178273094 /nfs/dbraw/zinc/27/30/94/1178273094.db2.gz ITSQDEJHJGYDRI-ZNMIVQPWSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001713049604 1178329500 /nfs/dbraw/zinc/32/95/00/1178329500.db2.gz OYUBJQLQFNLBHB-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP COCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001713169170 1178410143 /nfs/dbraw/zinc/41/01/43/1178410143.db2.gz APXIAISNBMCVRA-RBSFLKMASA-N 2 0 297.443 1.134 10 0 CDAERP CN(CC[NH2+]CCC1CCCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001713663612 1178701211 /nfs/dbraw/zinc/70/12/11/1178701211.db2.gz LEMDGGFZBHDHIL-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP CCCC[NH2+][C@H](CNC(=O)Cn1ccnc1C)C1CC1 ZINC001713883924 1178813989 /nfs/dbraw/zinc/81/39/89/1178813989.db2.gz MLNOVKVLDIUUIQ-CQSZACIVSA-N 2 0 278.400 1.476 10 0 CDAERP CC(C)CC[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001714382213 1179114884 /nfs/dbraw/zinc/11/48/84/1179114884.db2.gz MQGDZZIZOWNXPJ-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)=CC[N@H+](C)CCNC(=O)CCC[NH+]1CCCC1 ZINC001714572079 1179229785 /nfs/dbraw/zinc/22/97/85/1179229785.db2.gz JGBLZZNQEUYBEA-UHFFFAOYSA-N 2 0 281.444 1.877 10 0 CDAERP CN(CC[NH2+]CCc1cccs1)C(=O)CC[NH+](C)C ZINC001714751991 1179375581 /nfs/dbraw/zinc/37/55/81/1179375581.db2.gz JKNBUGYVXFUDFK-UHFFFAOYSA-N 2 0 283.441 1.290 10 0 CDAERP CCC[NH2+]CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001714771527 1179388059 /nfs/dbraw/zinc/38/80/59/1179388059.db2.gz IEKNQTXMTGZWHY-UHFFFAOYSA-N 2 0 255.406 1.176 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCCCOC ZINC001714996183 1179498104 /nfs/dbraw/zinc/49/81/04/1179498104.db2.gz XTFVAGBHXVWCFJ-GJZGRUSLSA-N 2 0 297.443 1.040 10 0 CDAERP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCCCCF)C1 ZINC001715033454 1179517892 /nfs/dbraw/zinc/51/78/92/1179517892.db2.gz WOTDCGLZKPJWNA-GJZGRUSLSA-N 2 0 299.434 1.611 10 0 CDAERP CC[NH2+][C@H](CC)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001715075866 1179541543 /nfs/dbraw/zinc/54/15/43/1179541543.db2.gz PPQOGBIWXFATJA-UONOGXRCSA-N 2 0 269.433 1.755 10 0 CDAERP COCCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001715676907 1179761203 /nfs/dbraw/zinc/76/12/03/1179761203.db2.gz QIRPZTRJSYDMCI-ILXRZTDVSA-N 2 0 299.459 1.238 10 0 CDAERP CC[C@@H](C[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@@H+]1C)OC ZINC001715741705 1179787711 /nfs/dbraw/zinc/78/77/11/1179787711.db2.gz FGXQJVGLOVYNTB-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@@H](C[NH2+]CC1CC1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001715981756 1179962345 /nfs/dbraw/zinc/96/23/45/1179962345.db2.gz VCOMWXBIAZYTMY-GXTWGEPZSA-N 2 0 267.417 1.365 10 0 CDAERP Cc1cc(C[NH2+]C/C=C\CNC(=O)CC[NH+](C)C)sn1 ZINC001716339244 1180160129 /nfs/dbraw/zinc/16/01/29/1180160129.db2.gz BLZMGCNHUARIOW-PLNGDYQASA-N 2 0 296.440 1.165 10 0 CDAERP CC[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001716546164 1180279271 /nfs/dbraw/zinc/27/92/71/1180279271.db2.gz JMRQTBXOWNCAFR-OAHLLOKOSA-N 2 0 281.444 1.851 10 0 CDAERP CCCC[NH2+]CCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001716579464 1180293453 /nfs/dbraw/zinc/29/34/53/1180293453.db2.gz SCJAKWTUCRWPCX-CQSZACIVSA-N 2 0 269.433 1.566 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001716617144 1180307876 /nfs/dbraw/zinc/30/78/76/1180307876.db2.gz CYQCCPVCDORSBD-ZDUSSCGKSA-N 2 0 267.417 1.365 10 0 CDAERP CCCCCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001716659256 1180343127 /nfs/dbraw/zinc/34/31/27/1180343127.db2.gz WAHJUAUTXCXKBH-LSDHHAIUSA-N 2 0 281.444 1.851 10 0 CDAERP COCCC[N@@H+]1CCC[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001716900107 1180459219 /nfs/dbraw/zinc/45/92/19/1180459219.db2.gz VLOGUQPIZDIVBB-INIZCTEOSA-N 2 0 299.459 1.193 10 0 CDAERP CC(C)[NH2+]CCC[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001717670109 1180786296 /nfs/dbraw/zinc/78/62/96/1180786296.db2.gz AQWKYBAIVYERGX-CYBMUJFWSA-N 2 0 269.433 1.754 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001717829702 1180883013 /nfs/dbraw/zinc/88/30/13/1180883013.db2.gz IYQFFFDVAQNMMP-GJZGRUSLSA-N 2 0 279.428 1.627 10 0 CDAERP CC(C)(C)[C@@H](C[NH2+]CCF)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001717958588 1180948853 /nfs/dbraw/zinc/94/88/53/1180948853.db2.gz GQPMRQSQWXGXTE-UONOGXRCSA-N 2 0 299.434 1.418 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000165866475 1181041713 /nfs/dbraw/zinc/04/17/13/1181041713.db2.gz AZXAMKMNIYLCOF-CABCVRRESA-N 2 0 281.444 1.742 10 0 CDAERP Cc1cc(C[NH2+]CCCN(C)C(=O)C[N@@H+](C)C(C)C)no1 ZINC001723204400 1181525784 /nfs/dbraw/zinc/52/57/84/1181525784.db2.gz QMYMDLDFCOAEOW-UHFFFAOYSA-N 2 0 296.415 1.261 10 0 CDAERP O=C1Nc2ccccc2CC[C@@H]1N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261644857 1181795766 /nfs/dbraw/zinc/79/57/66/1181795766.db2.gz JBUARUINJYLGKT-LZWOXQAQSA-N 2 0 285.391 1.481 10 0 CDAERP C[NH+]1CCC(C(=O)NC2CC(C[NH2+]CCCF)C2)CC1 ZINC001725069635 1181844204 /nfs/dbraw/zinc/84/42/04/1181844204.db2.gz FGSRNCREYVMYEQ-UHFFFAOYSA-N 2 0 285.407 1.172 10 0 CDAERP CCCCC[NH+]1CC([C@@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001725264737 1181945065 /nfs/dbraw/zinc/94/50/65/1181945065.db2.gz LQQHPIRFENNUNM-LSDHHAIUSA-N 2 0 295.471 1.955 10 0 CDAERP COCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001725523796 1182036702 /nfs/dbraw/zinc/03/67/02/1182036702.db2.gz NDNHCSHGNSAIII-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP CCOCC[N@H+](C)CCN(C(=O)[C@@H]1CC[NH+](C)C1)C(C)C ZINC001725733055 1182115602 /nfs/dbraw/zinc/11/56/02/1182115602.db2.gz MZJYPSIFEIMAEB-OAHLLOKOSA-N 2 0 299.459 1.143 10 0 CDAERP CN(C(=O)CCCC[NH+]1CCCC1)C1CC([NH2+]CCF)C1 ZINC001725789491 1182132181 /nfs/dbraw/zinc/13/21/81/1182132181.db2.gz KDDHAEXJXKNSTM-UHFFFAOYSA-N 2 0 299.434 1.801 10 0 CDAERP CC/C=C\CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001731564103 1182450017 /nfs/dbraw/zinc/45/00/17/1182450017.db2.gz MBRXBAAQHLQAEP-FHXWTKQSSA-N 2 0 293.455 1.731 10 0 CDAERP CCC[NH2+]C[C@@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001731677724 1182514808 /nfs/dbraw/zinc/51/48/08/1182514808.db2.gz GLURNKRYSJGGFD-AWEZNQCLSA-N 2 0 269.433 1.566 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001731831724 1182612633 /nfs/dbraw/zinc/61/26/33/1182612633.db2.gz TWWBTJQDICDODP-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@H](O)CCC[NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001731939648 1182687679 /nfs/dbraw/zinc/68/76/79/1182687679.db2.gz GRYFBPYHCREBGY-AWEZNQCLSA-N 2 0 299.459 1.070 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001732067878 1182749420 /nfs/dbraw/zinc/74/94/20/1182749420.db2.gz AZSNGWHKOWHOGX-CVEARBPZSA-N 2 0 293.455 1.827 10 0 CDAERP CCC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001732220288 1182865998 /nfs/dbraw/zinc/86/59/98/1182865998.db2.gz FBXBRJLAEMPFFF-KGLIPLIRSA-N 2 0 269.433 1.755 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CCCF ZINC001732504076 1182990725 /nfs/dbraw/zinc/99/07/25/1182990725.db2.gz KAQDWWSSKXPKQL-GJZGRUSLSA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001732691395 1183088686 /nfs/dbraw/zinc/08/86/86/1183088686.db2.gz YVPWMYOTHQINOL-GJZGRUSLSA-N 2 0 283.460 2.000 10 0 CDAERP C[C@H](CC[NH2+]Cc1ccsc1)NC(=O)CC[NH+](C)C ZINC001732726096 1183100397 /nfs/dbraw/zinc/10/03/97/1183100397.db2.gz KRVGYTMCOSSWOG-GFCCVEGCSA-N 2 0 283.441 1.684 10 0 CDAERP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+]C/C=C/Cl)CC[N@@H+]1C ZINC001732853059 1183159644 /nfs/dbraw/zinc/15/96/44/1183159644.db2.gz OWVIGFAYKCMOCR-SZVWZHKSSA-N 2 0 285.819 1.341 10 0 CDAERP COC[C@@H](C)[NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001732886708 1183171122 /nfs/dbraw/zinc/17/11/22/1183171122.db2.gz TWEUDNVKXJTDMC-VBROQKIQSA-N 2 0 297.443 1.158 10 0 CDAERP CC/C=C\CC[NH2+]C[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001732977770 1183215261 /nfs/dbraw/zinc/21/52/61/1183215261.db2.gz IAGHHEQXOBGTLS-JGUVHBTRSA-N 2 0 281.444 1.779 10 0 CDAERP CCC[NH2+]C[C@H](NC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001733176650 1183317903 /nfs/dbraw/zinc/31/79/03/1183317903.db2.gz HPPSIZYBMPYMCQ-AWEZNQCLSA-N 2 0 279.428 1.509 10 0 CDAERP COCCC[N@@H+]1CC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001733217804 1183345803 /nfs/dbraw/zinc/34/58/03/1183345803.db2.gz BOOSYHJNYDAVKJ-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@H](C)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001733270238 1183377108 /nfs/dbraw/zinc/37/71/08/1183377108.db2.gz YASGVESLMQPMJL-QWHCGFSZSA-N 2 0 267.417 1.223 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]C(C)C)CC1 ZINC001733265138 1183377273 /nfs/dbraw/zinc/37/72/73/1183377273.db2.gz NFOQAOJYQWTOPM-ZDUSSCGKSA-N 2 0 267.417 1.508 10 0 CDAERP C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@@H](C)[NH2+]CCCF ZINC001733978852 1183598518 /nfs/dbraw/zinc/59/85/18/1183598518.db2.gz MWIVVFACDZZIJC-ZIAGYGMSSA-N 2 0 299.434 1.705 10 0 CDAERP CC[NH+]1CC([C@H](C)NC(=O)CCCC[NH+](C)C)C1 ZINC001734127518 1183669393 /nfs/dbraw/zinc/66/93/93/1183669393.db2.gz GOSUSAYPEOUXDJ-LBPRGKRZSA-N 2 0 255.406 1.175 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CCF)CN1C(=O)CCCC[NH+](C)C ZINC001734426261 1183774905 /nfs/dbraw/zinc/77/49/05/1183774905.db2.gz LFOZDPDNVCTTTH-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP CC[C@H](C)C[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000400751014 1186375712 /nfs/dbraw/zinc/37/57/12/1186375712.db2.gz CSMFCNVYLJGKQG-XQQFMLRXSA-N 2 0 255.406 1.303 10 0 CDAERP CCN(C(=O)N[C@H](C)CC[NH+](CC)CC)[C@@H]1CC[N@H+](C)C1 ZINC001772444910 1187234003 /nfs/dbraw/zinc/23/40/03/1187234003.db2.gz BNEFPXGWTGIATA-HUUCEWRRSA-N 2 0 298.475 1.842 10 0 CDAERP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCCC[C@@H]3O)C[C@@H]2C1 ZINC000386712110 1187271004 /nfs/dbraw/zinc/27/10/04/1187271004.db2.gz VHPOGCZPYGQWMN-QPSCCSFWSA-N 2 0 252.402 1.421 10 0 CDAERP C([NH2+][C@@H]1CCCCC12CC[NH2+]CC2)[C@]12C[C@H]1C[NH2+]C2 ZINC000873231369 1165527315 /nfs/dbraw/zinc/52/73/15/1165527315.db2.gz MISKCORKHQRQIN-SQWLQELKSA-N 3 0 263.429 1.498 10 0 CDAERP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001620483488 1165654783 /nfs/dbraw/zinc/65/47/83/1165654783.db2.gz QRBQJIWXVIFXPZ-ZOBORPQBSA-N 2 0 266.385 1.069 10 0 CDAERP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CCC(=O)N(C)C2)CC1 ZINC000925104907 783794535 /nfs/dbraw/zinc/79/45/35/783794535.db2.gz SLNYSCMYAKBVHK-OAHLLOKOSA-N 2 0 281.444 1.707 10 0 CDAERP COC(=O)N1CCC([C@H](C)[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925645052 783772544 /nfs/dbraw/zinc/77/25/44/783772544.db2.gz OSZLYMYPYLHAFJ-UBHSHLNASA-N 2 0 295.427 1.713 10 0 CDAERP Cn1nnc2c1C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)CC2 ZINC000927149538 783802537 /nfs/dbraw/zinc/80/25/37/783802537.db2.gz HFRNVQTWMICIJV-ZDUSSCGKSA-N 2 0 291.443 1.525 10 0 CDAERP C[C@]1([C@@H]2CCC[N@H+](CCC[NH2+]C3CC3)C2)COC(=O)N1 ZINC000923433065 783840826 /nfs/dbraw/zinc/84/08/26/783840826.db2.gz VWAUDHLBULDSJF-IUODEOHRSA-N 2 0 281.400 1.339 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC[C@H](N(C)C)C(F)(F)F ZINC000925837601 783888597 /nfs/dbraw/zinc/88/85/97/783888597.db2.gz RCEMKILOPSZSEH-YFKTTZPYSA-N 2 0 297.365 1.211 10 0 CDAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CC23CCC3)C[C@H]1C[NH+](C)C ZINC000870020337 783902627 /nfs/dbraw/zinc/90/26/27/783902627.db2.gz MRCZMNYLTIEUNE-RBSFLKMASA-N 2 0 293.455 1.374 10 0 CDAERP Cc1cn2cc(NC(=O)NC[C@H]3C[C@@H]([NH3+])C3)ccc2n1 ZINC000868116626 783908299 /nfs/dbraw/zinc/90/82/99/783908299.db2.gz RMVORAUVQHMRDM-PHIMTYICSA-N 2 0 273.340 1.502 10 0 CDAERP C[NH+]1CCC(C[NH2+]Cc2cc3c(cc[nH]c3=O)o2)CC1 ZINC000865449593 783958954 /nfs/dbraw/zinc/95/89/54/783958954.db2.gz BFFMYKHCNORAIZ-UHFFFAOYSA-N 2 0 275.352 1.965 10 0 CDAERP C[C@@H](Cc1cnccn1)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925842671 784008264 /nfs/dbraw/zinc/00/82/64/784008264.db2.gz BIIJGFSCUQSTFK-HNNXBMFYSA-N 2 0 291.443 1.073 10 0 CDAERP CC(C)CC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000720900896 784128925 /nfs/dbraw/zinc/12/89/25/784128925.db2.gz RYDARCNABFNRKX-MJBXVCDLSA-N 2 0 267.417 1.445 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000851654873 784160045 /nfs/dbraw/zinc/16/00/45/784160045.db2.gz IQHDJQIMBYQEOU-CQSZACIVSA-N 2 0 298.475 1.922 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000852880951 784227990 /nfs/dbraw/zinc/22/79/90/784227990.db2.gz GSJCFRKDOXMBSI-JKSUJKDBSA-N 2 0 291.439 1.534 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)C[C@H]([NH3+])C1CC1 ZINC000846685666 784285907 /nfs/dbraw/zinc/28/59/07/784285907.db2.gz FOMWDUYCHYKUDB-ZDUSSCGKSA-N 2 0 255.406 1.208 10 0 CDAERP CC(=O)CC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182985686 784321486 /nfs/dbraw/zinc/32/14/86/784321486.db2.gz NYIRLGKHTUDAFY-UHFFFAOYSA-N 2 0 282.428 1.790 10 0 CDAERP COC(=O)C1=C(C)O[C@H](CN2CCC([NH+](C)C)CC2)C1 ZINC000778217224 784389219 /nfs/dbraw/zinc/38/92/19/784389219.db2.gz VZCUVBBERGJAKB-ZDUSSCGKSA-N 2 0 282.384 1.248 10 0 CDAERP CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925680960 784538909 /nfs/dbraw/zinc/53/89/09/784538909.db2.gz LOFRTUSCZKTRJE-AAVRWANBSA-N 2 0 270.417 1.534 10 0 CDAERP COC(=O)c1ccc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923500028 784742120 /nfs/dbraw/zinc/74/21/20/784742120.db2.gz UJLGDLYNYZUBRJ-IUODEOHRSA-N 2 0 276.380 1.890 10 0 CDAERP COC[C@@H](C[NH+]1CCC(CO)([NH2+]C(C)C)CC1)C(C)C ZINC000930613680 784794571 /nfs/dbraw/zinc/79/45/71/784794571.db2.gz KUISJHFUPHXXLO-OAHLLOKOSA-N 2 0 286.460 1.730 10 0 CDAERP O=C1O[C@@H](C[NH2+]C2CCCCC2)CC12CC[NH2+]CC2 ZINC000925854670 784810925 /nfs/dbraw/zinc/81/09/25/784810925.db2.gz MKJBCEXORGWJGK-CYBMUJFWSA-N 2 0 266.385 1.594 10 0 CDAERP CC(C)C[NH+](CC(C)C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923300595 784832093 /nfs/dbraw/zinc/83/20/93/784832093.db2.gz XABYDLVFHXUFOI-CQSZACIVSA-N 2 0 254.418 1.979 10 0 CDAERP Cn1cc(C[N@H+](C)Cc2cccc3c2CC[NH2+]C3)cn1 ZINC000123926198 784855817 /nfs/dbraw/zinc/85/58/17/784855817.db2.gz MVCDOGLLLRRDND-UHFFFAOYSA-N 2 0 270.380 1.698 10 0 CDAERP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925684478 784856992 /nfs/dbraw/zinc/85/69/92/784856992.db2.gz BMSDMSMCNSSZQI-GJZGRUSLSA-N 3 0 265.445 1.983 10 0 CDAERP Nc1cc[nH+]c(CN[C@@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000925766740 784878320 /nfs/dbraw/zinc/87/83/20/784878320.db2.gz LRINBCYEFHFLQU-LSDHHAIUSA-N 2 0 254.337 1.898 10 0 CDAERP CSCc1n[nH]c(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000925776180 784920413 /nfs/dbraw/zinc/92/04/13/784920413.db2.gz DZKFEQWPBIBQPO-HBNTYKKESA-N 2 0 281.429 1.145 10 0 CDAERP CC(C)C[C@H](C(=O)NC[C@H]1CC[N@@H+]1C)n1ccnc1 ZINC000928554530 784930358 /nfs/dbraw/zinc/93/03/58/784930358.db2.gz QGYIXKCYUPSVSF-CHWSQXEVSA-N 2 0 264.373 1.291 10 0 CDAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CC=CCC2)C[C@H]1C[NH+](C)C ZINC000870023827 785001507 /nfs/dbraw/zinc/00/15/07/785001507.db2.gz BNDCWIMULJVOAZ-ARFHVFGLSA-N 2 0 293.455 1.541 10 0 CDAERP [NH3+][C@H]1C[C@H]([NH2+]CC2(CO)CC3(CCC3)C2)C12CCC2 ZINC000925652470 785014684 /nfs/dbraw/zinc/01/46/84/785014684.db2.gz FPHBRHMUKXNPOP-STQMWFEESA-N 2 0 264.413 1.789 10 0 CDAERP O=C(CCC12CC(C1)C[NH2+]2)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000870867866 785038934 /nfs/dbraw/zinc/03/89/34/785038934.db2.gz LSGKVIVUKOJYTC-WJEHIRDRSA-N 2 0 277.412 1.262 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)N[C@@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000924644506 785049872 /nfs/dbraw/zinc/04/98/72/785049872.db2.gz WHCXUSOVUVHHQO-QLFBSQMISA-N 2 0 251.418 1.545 10 0 CDAERP C[C@@H](C[NH2+][C@H]1CN2C[C@@H]1CCC2)N1CCCC[C@H]1C ZINC000924658622 785070321 /nfs/dbraw/zinc/07/03/21/785070321.db2.gz AJXWJKDVZVENEA-UGUYLWEFSA-N 2 0 265.445 1.933 10 0 CDAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)CC1 ZINC000923495054 785359890 /nfs/dbraw/zinc/35/98/90/785359890.db2.gz SNYXCOOMDDGFCV-IRXDYDNUSA-N 3 0 296.503 1.319 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CCC12CCOCC2 ZINC000850500114 785378209 /nfs/dbraw/zinc/37/82/09/785378209.db2.gz DCLXFCFMFHMRIZ-HOTGVXAUSA-N 2 0 297.487 1.807 10 0 CDAERP FCC1(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CCOCC1 ZINC000925683040 785385620 /nfs/dbraw/zinc/38/56/20/785385620.db2.gz JSHIESIJASHTID-QSLWVIQJSA-N 2 0 268.376 1.339 10 0 CDAERP C[C@@H]1C[N@H+](C[C@@H]2CC[C@@H](C3CC3)O2)CC[C@@H]1C[NH3+] ZINC000923494543 785391469 /nfs/dbraw/zinc/39/14/69/785391469.db2.gz YTMUKNPVQKANIB-RZFFKMDDSA-N 2 0 252.402 1.861 10 0 CDAERP COC(=O)N1CCC[C@@H]([NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000925563399 785402699 /nfs/dbraw/zinc/40/26/99/785402699.db2.gz BPWAZNTYGHBKCR-YIYPIFLZSA-N 2 0 295.427 1.583 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)CC[NH2+]CC2CC2)cc1 ZINC000870937576 785449953 /nfs/dbraw/zinc/44/99/53/785449953.db2.gz NFEVLCPEKFDRKB-LBPRGKRZSA-N 2 0 275.396 1.712 10 0 CDAERP C[C@H]1CNC[C@@H]([NH2+]C2CCC(C)([NH+](C)C)CC2)C1 ZINC000715572684 785642101 /nfs/dbraw/zinc/64/21/01/785642101.db2.gz MEPIHZQIDYDRAB-JLVJUDLZSA-N 2 0 253.434 1.837 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](CO)c2ccccc2)C12CCC2 ZINC000925624567 785651625 /nfs/dbraw/zinc/65/16/25/785651625.db2.gz YCELJEDWCPECDO-ZNMIVQPWSA-N 2 0 260.381 1.622 10 0 CDAERP C[C@H](CNC(=[NH2+])N[C@H]1C[C@@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000864452938 785754387 /nfs/dbraw/zinc/75/43/87/785754387.db2.gz KSVKZLVQIBFVMV-XQHKEYJVSA-N 2 0 252.406 1.629 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1CCC(C)(C)CO1 ZINC000711241113 785757363 /nfs/dbraw/zinc/75/73/63/785757363.db2.gz WLPHXPVSNHHMOW-CHWSQXEVSA-N 2 0 258.406 1.535 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCOC[C@H]2C(C)C)CC1 ZINC000924671282 785810085 /nfs/dbraw/zinc/81/00/85/785810085.db2.gz OZDLOHWFDOHCED-IXDOHACOSA-N 2 0 297.487 1.663 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCCN2CCOCC2)C1 ZINC000925493554 785823506 /nfs/dbraw/zinc/82/35/06/785823506.db2.gz LHYISTFLYRXXLF-UONOGXRCSA-N 2 0 269.433 1.204 10 0 CDAERP CC(C)OCC[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923455781 785826669 /nfs/dbraw/zinc/82/66/69/785826669.db2.gz MPTONMGLYCHSFV-ZDUSSCGKSA-N 2 0 256.390 1.241 10 0 CDAERP CC[NH+](CC)CC[C@@H](CO)[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000922221022 785842215 /nfs/dbraw/zinc/84/22/15/785842215.db2.gz FAUXDIQWZAMWLW-NQLMQOPMSA-N 2 0 296.455 1.482 10 0 CDAERP CC[NH+](CC)CC(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000871153135 785859405 /nfs/dbraw/zinc/85/94/05/785859405.db2.gz HWEQDKPZISFRPM-UHFFFAOYSA-N 2 0 255.406 1.271 10 0 CDAERP CCOC(=O)N1CCC([NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000863481277 785876788 /nfs/dbraw/zinc/87/67/88/785876788.db2.gz AUPNWZMHHKDFKG-CYBMUJFWSA-N 2 0 281.400 1.482 10 0 CDAERP Cc1c(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)ccnc1F ZINC000862285535 785908386 /nfs/dbraw/zinc/90/83/86/785908386.db2.gz UAIRCTGQMLEGEK-UHFFFAOYSA-N 2 0 295.402 1.854 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCCCC[NH3+])[C@H](C)C1 ZINC000831267893 786007621 /nfs/dbraw/zinc/00/76/21/786007621.db2.gz RNFCXILVFPLJTA-CABCVRRESA-N 2 0 298.475 1.877 10 0 CDAERP CC1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)OCCCO1 ZINC000190668510 786079653 /nfs/dbraw/zinc/07/96/53/786079653.db2.gz FLVJRACKNPKMSX-QWHCGFSZSA-N 2 0 254.374 1.356 10 0 CDAERP [NH3+]C[C@H]1CCCC[C@H]1C(=O)NC1CCC([NH3+])CC1 ZINC000089398006 786113419 /nfs/dbraw/zinc/11/34/19/786113419.db2.gz VYDBGUCZKPULDK-IKWCTNDRSA-N 2 0 253.390 1.138 10 0 CDAERP C[NH+]1CCC(C[NH2+]C[C@H]2COc3ccccc3O2)CC1 ZINC000054240247 786267134 /nfs/dbraw/zinc/26/71/34/786267134.db2.gz YCNMYKALPDHKIK-AWEZNQCLSA-N 2 0 276.380 1.758 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])CC[N@@H+]1C ZINC000872285756 786279586 /nfs/dbraw/zinc/27/95/86/786279586.db2.gz GEKTWEDUZFKWJV-TUVASFSCSA-N 2 0 281.444 1.835 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]CCn2ccc(C(F)(F)F)n2)C12CCC2 ZINC000925729724 786284042 /nfs/dbraw/zinc/28/40/42/786284042.db2.gz LJKVGRFMTINABU-KOLCDFICSA-N 2 0 288.317 1.761 10 0 CDAERP C[C@@H]1[NH2+]CCC[C@H]1NC[C@@H]1c2ccccc2CN1C ZINC000925725897 786310439 /nfs/dbraw/zinc/31/04/39/786310439.db2.gz DFYQJVRSFJHODM-APHBMKBZSA-N 2 0 259.397 1.903 10 0 CDAERP CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261991236 786341265 /nfs/dbraw/zinc/34/12/65/786341265.db2.gz SJIDAVMEKLDGLW-IHRRRGAJSA-N 2 0 284.400 1.029 10 0 CDAERP C[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)CC1CCCCC1 ZINC000923301235 786372511 /nfs/dbraw/zinc/37/25/11/786372511.db2.gz QUPWMHMCKQWRSE-AWEZNQCLSA-N 2 0 252.402 1.877 10 0 CDAERP CCOC(=O)CC(C)(C)C[NH2+]CCN(C)C(C)C ZINC000838921760 786382423 /nfs/dbraw/zinc/38/24/23/786382423.db2.gz LPTZPAFRCHFRKA-UHFFFAOYSA-N 2 0 258.406 1.896 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000926767380 786421217 /nfs/dbraw/zinc/42/12/17/786421217.db2.gz KVZXRVNWRGVPJS-NLXYCFSDSA-N 2 0 250.386 1.484 10 0 CDAERP C[C@@H](C(=O)N1CCCCCC1)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923499642 786421711 /nfs/dbraw/zinc/42/17/11/786421711.db2.gz MLQXPJWGXUEUHA-ILXRZTDVSA-N 2 0 281.444 1.694 10 0 CDAERP CC(C)n1cc(C[N@@H+]2C[C@H](CO)C3(C2)CC[NH2+]CC3)cn1 ZINC000169782596 786443994 /nfs/dbraw/zinc/44/39/94/786443994.db2.gz DJQXNFXPAZMHGK-OAHLLOKOSA-N 2 0 292.427 1.258 10 0 CDAERP CON(C)C(=O)CC[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000819073006 786469165 /nfs/dbraw/zinc/46/91/65/786469165.db2.gz KQTXXXSRIIOJEC-UHFFFAOYSA-N 2 0 297.374 1.387 10 0 CDAERP C[C@H](CNC(=O)[C@]12CCC[C@H]1[NH2+]CC2)C[NH+]1CCCC1 ZINC000711341882 786758676 /nfs/dbraw/zinc/75/86/76/786758676.db2.gz UJBWVNPBCXTODG-FMKPAKJESA-N 2 0 279.428 1.367 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCC2CC[NH2+]CC2)C1 ZINC000925702272 786886267 /nfs/dbraw/zinc/88/62/67/786886267.db2.gz MNFKCOYNRFSRBQ-UONOGXRCSA-N 3 0 253.434 1.872 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)CC(C)(C)O)C1 ZINC000872199933 786897749 /nfs/dbraw/zinc/89/77/49/786897749.db2.gz SOPTVBOGXPUHPN-KBPBESRZSA-N 2 0 272.433 1.218 10 0 CDAERP O[C@@H](C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)C1CC1 ZINC000838812336 786991038 /nfs/dbraw/zinc/99/10/38/786991038.db2.gz JALJIXNNYVEOTG-INIZCTEOSA-N 2 0 282.428 1.192 10 0 CDAERP C[C@H]1C[N@H+](CC(=O)N(C)Cc2cccs2)CC[C@@H]1C[NH3+] ZINC000923504667 787002826 /nfs/dbraw/zinc/00/28/26/787002826.db2.gz SKKCFWYPSOLSQO-QWHCGFSZSA-N 2 0 295.452 1.623 10 0 CDAERP CN(C)C(=O)CCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925586198 787063892 /nfs/dbraw/zinc/06/38/92/787063892.db2.gz KFLIFXKWPVPREI-LBPRGKRZSA-N 2 0 253.390 1.119 10 0 CDAERP C[C@@H]1OC[C@H]([NH2+]CCCC[NH+]2CCN(C)CC2)[C@@H]1C ZINC000924658555 787185003 /nfs/dbraw/zinc/18/50/03/787185003.db2.gz KQWNJQQLHGGJMZ-ILXRZTDVSA-N 2 0 269.433 1.027 10 0 CDAERP CC(C)(CC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)S(C)(=O)=O ZINC000925695599 787485464 /nfs/dbraw/zinc/48/54/64/787485464.db2.gz IPTHLDCWWTUKPP-RYUDHWBXSA-N 2 0 290.473 1.695 10 0 CDAERP C[N@H+](CCCCCC[NH3+])CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000872155700 787576794 /nfs/dbraw/zinc/57/67/94/787576794.db2.gz SDUZHWKDFKHEAW-GASCZTMLSA-N 2 0 269.433 1.301 10 0 CDAERP CCOC(=O)N1CC[C@H]([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925643020 787809828 /nfs/dbraw/zinc/80/98/28/787809828.db2.gz VADZCZXWRYXTMV-SDDRHHMPSA-N 2 0 267.373 1.077 10 0 CDAERP O=C1O[C@@H](C[NH2+]C2CCCC2)CC12CC[NH2+]CC2 ZINC000925854145 787820339 /nfs/dbraw/zinc/82/03/39/787820339.db2.gz LCGDYMACWYCSMP-GFCCVEGCSA-N 2 0 252.358 1.204 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)C[C@H]1CC2(CCC2)CO1 ZINC000872145710 787844479 /nfs/dbraw/zinc/84/44/79/787844479.db2.gz WAUCQQYBJWJLIY-CYBMUJFWSA-N 2 0 256.390 1.113 10 0 CDAERP CC1(C)[C@@H](NC[C@@H]2C[NH2+]CCC2(F)F)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925776132 787860865 /nfs/dbraw/zinc/86/08/65/787860865.db2.gz JAAJTAZNBXBQQE-RNJOBUHISA-N 2 0 287.398 1.597 10 0 CDAERP Cc1ncc(CC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)s1 ZINC000925616938 787879896 /nfs/dbraw/zinc/87/98/96/787879896.db2.gz ODFHKCOCGCIZNK-NWDGAFQWSA-N 2 0 251.399 1.854 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N2CCCc3cc(C[NH3+])ccc32)o1 ZINC000843340605 787881050 /nfs/dbraw/zinc/88/10/50/787881050.db2.gz SVRHTWMGRUWCSW-UHFFFAOYSA-N 2 0 285.347 1.790 10 0 CDAERP C[C@@H](CNC(=O)C1CCC([NH3+])CC1)[NH+]1CCCCC1 ZINC000038029548 787896909 /nfs/dbraw/zinc/89/69/09/787896909.db2.gz TXBUYHRVIWKKQX-HSBZDZAISA-N 2 0 267.417 1.495 10 0 CDAERP COc1ccc(C[NH2+][C@@H](C)C2C[NH2+]C2)c(C)c1OC ZINC000925877118 787924639 /nfs/dbraw/zinc/92/46/39/787924639.db2.gz LQLWDTCNOBFMBE-NSHDSACASA-N 2 0 264.369 1.710 10 0 CDAERP CC[NH+]1CCC(N(C)CCc2nnc(C)o2)CC1 ZINC000929779352 787940927 /nfs/dbraw/zinc/94/09/27/787940927.db2.gz NOZNOBKQIOVFIV-UHFFFAOYSA-N 2 0 252.362 1.337 10 0 CDAERP COC(=O)N1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000796749031 788003973 /nfs/dbraw/zinc/00/39/73/788003973.db2.gz YTSMFQJFNIBGTL-XQLPTFJDSA-N 2 0 295.427 1.680 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)c1cccc2nccn21 ZINC000839631239 788004137 /nfs/dbraw/zinc/00/41/37/788004137.db2.gz DXNOABFZDBDRBV-LBPRGKRZSA-N 2 0 272.352 1.501 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(C)C[C@@]1(C)CCC[NH2+]C1 ZINC000220959670 788021155 /nfs/dbraw/zinc/02/11/55/788021155.db2.gz MVPGLHKCJMSQRQ-GJZGRUSLSA-N 2 0 253.434 1.792 10 0 CDAERP CC(C)C[NH+]1CCC([NH2+]C[C@H](O)CC(C)(C)O)CC1 ZINC000872199825 788032613 /nfs/dbraw/zinc/03/26/13/788032613.db2.gz RNZCLGSWWJDZQP-CQSZACIVSA-N 2 0 272.433 1.218 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1ccnnc1 ZINC000926686899 788040980 /nfs/dbraw/zinc/04/09/80/788040980.db2.gz SENCEJDIDUSMPO-KBPBESRZSA-N 2 0 279.432 1.399 10 0 CDAERP O[C@H](C[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)C[NH+]1CCCC1 ZINC000723608547 788054850 /nfs/dbraw/zinc/05/48/50/788054850.db2.gz PUYANWPBNIMLNH-QKPAOTATSA-N 2 0 282.428 1.238 10 0 CDAERP Cc1cc(C)n2c(C[NH2+]C3CCC([NH3+])CC3)cnc2n1 ZINC000843104230 788072524 /nfs/dbraw/zinc/07/25/24/788072524.db2.gz IHFCVMUTDJZLPD-UHFFFAOYSA-N 2 0 273.384 1.706 10 0 CDAERP C[NH+](C)CC1(O)CC[NH+](C[C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000931478922 788117316 /nfs/dbraw/zinc/11/73/16/788117316.db2.gz HMYKRTGIKWMQQG-CQSZACIVSA-N 2 0 298.471 1.969 10 0 CDAERP COC(=O)CCCC[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000709853466 788221114 /nfs/dbraw/zinc/22/11/14/788221114.db2.gz SDZITGRDWMDPQM-UHFFFAOYSA-N 2 0 256.390 1.746 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)NC[C@H]2[NH+](C)CCCC2(C)C)CC[N@@H+]1C ZINC000922259465 788282158 /nfs/dbraw/zinc/28/21/58/788282158.db2.gz ZGJUYQNRAQRGNX-HZSPNIEDSA-N 2 0 296.459 1.499 10 0 CDAERP Cc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)c(=O)n1C ZINC000925656619 788307977 /nfs/dbraw/zinc/30/79/77/788307977.db2.gz KFGSECGMZZZHBO-UONOGXRCSA-N 2 0 277.412 1.689 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)N[C@@H]1C[NH+]2C[C@@H]1CCC2 ZINC000926441885 788308811 /nfs/dbraw/zinc/30/88/11/788308811.db2.gz CUBQUYGOTQDIKV-QLFBSQMISA-N 2 0 253.434 1.791 10 0 CDAERP Cc1ncc(C[NH2+][C@@H]2CC(C)(C)CC[C@H]2O)n1C ZINC000864052852 788336271 /nfs/dbraw/zinc/33/62/71/788336271.db2.gz BFWKWOSIUBRKFT-CHWSQXEVSA-N 2 0 251.374 1.758 10 0 CDAERP C([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000925830260 788355766 /nfs/dbraw/zinc/35/57/66/788355766.db2.gz CEBYIAWGWDJBNN-DBHDPKECSA-N 2 0 294.439 1.691 10 0 CDAERP C[C@H](CN[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C[NH+](C)C ZINC000926475677 788398522 /nfs/dbraw/zinc/39/85/22/788398522.db2.gz VJZLKTYTIHZHTA-ILXRZTDVSA-N 2 0 253.434 1.791 10 0 CDAERP CCn1nnc(C)c1C[N@H+](C)CCCCCC[NH3+] ZINC000872158084 788516089 /nfs/dbraw/zinc/51/60/89/788516089.db2.gz SKLCWDRZKNAKGD-UHFFFAOYSA-N 2 0 253.394 1.557 10 0 CDAERP C(C[NH2+]C1CC1)CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000923327697 788542450 /nfs/dbraw/zinc/54/24/50/788542450.db2.gz HDEAYVOUHIMMLZ-UKRRQHHQSA-N 2 0 251.418 1.593 10 0 CDAERP Cc1noc(C)c1CCC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000817900388 788574258 /nfs/dbraw/zinc/57/42/58/788574258.db2.gz SFHBROXFNISGAY-OCCSQVGLSA-N 2 0 251.374 1.941 10 0 CDAERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2[nH]c(C)nc2C)C1 ZINC000929770270 788599767 /nfs/dbraw/zinc/59/97/67/788599767.db2.gz DQMANWDWLXJBTB-OAHLLOKOSA-N 2 0 294.443 1.959 10 0 CDAERP C[C@@H]([NH2+]CC[C@@H]1OCCc2ccccc21)C1C[NH2+]C1 ZINC000925880761 788711543 /nfs/dbraw/zinc/71/15/43/788711543.db2.gz OFUXLRFFAKQBTM-WBMJQRKESA-N 2 0 260.381 1.888 10 0 CDAERP CC[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@H]1CCCOC1 ZINC000872037068 788711970 /nfs/dbraw/zinc/71/19/70/788711970.db2.gz AIKYKWWBRULJFS-UONOGXRCSA-N 2 0 270.417 1.238 10 0 CDAERP CN1C[C@H](CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1=O ZINC000723581748 788717361 /nfs/dbraw/zinc/71/73/61/788717361.db2.gz GPKKMDWDNCLUEI-MGPQQGTHSA-N 2 0 265.401 1.071 10 0 CDAERP C[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2)CC[C@H]1C[NH3+] ZINC000923494443 788741611 /nfs/dbraw/zinc/74/16/11/788741611.db2.gz XOYYXKGDRSJRHB-ZLDLUXBVSA-N 2 0 266.360 1.776 10 0 CDAERP CC1([NH+]2CCC2)CCN(CCO[C@@H]2CCOC2)CC1 ZINC000931700583 788769587 /nfs/dbraw/zinc/76/95/87/788769587.db2.gz QEEMIRSJVKTQJF-CQSZACIVSA-N 2 0 268.401 1.352 10 0 CDAERP O[C@H](C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)C1CC1 ZINC000819220137 788807244 /nfs/dbraw/zinc/80/72/44/788807244.db2.gz YNFRBVCLQMLIPF-DLBZAZTESA-N 2 0 290.407 1.114 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCC[C@@H](C2OCCO2)C1 ZINC000841007038 788808545 /nfs/dbraw/zinc/80/85/45/788808545.db2.gz LXXULCPYZLFJRZ-OLZOCXBDSA-N 2 0 256.390 1.445 10 0 CDAERP CSC[C@H](O)C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000872228814 788817680 /nfs/dbraw/zinc/81/76/80/788817680.db2.gz LDNRIMOQTQWJGS-OTTFEQOBSA-N 2 0 260.447 1.563 10 0 CDAERP CC(C)(C[NH3+])Cc1nc([C@@H]2CN3CCC[C@@H]3CO2)no1 ZINC000720913025 788863499 /nfs/dbraw/zinc/86/34/99/788863499.db2.gz SNVKYCUIJLVJNR-MNOVXSKESA-N 2 0 280.372 1.133 10 0 CDAERP O[C@@H](C[NH2+]C[C@@H]1CCC2(CCC2)O1)C[NH+]1CCCC1 ZINC000711479656 788927876 /nfs/dbraw/zinc/92/78/76/788927876.db2.gz XIRHXRFZXBEZFI-KBPBESRZSA-N 2 0 268.401 1.134 10 0 CDAERP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccns1 ZINC000925215797 788936428 /nfs/dbraw/zinc/93/64/28/788936428.db2.gz PFDMAOAEEAGJBN-GFCCVEGCSA-N 2 0 282.457 1.820 10 0 CDAERP C[C@H]1C[C@@H]1NC(=[NH2+])NCCN(C)Cc1ccccc1 ZINC000864457040 789050587 /nfs/dbraw/zinc/05/05/87/789050587.db2.gz PVCQQOFRPOUMTC-JSGCOSHPSA-N 2 0 260.385 1.641 10 0 CDAERP [NH3+]C[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)C[C@H]1C(F)(F)F ZINC000872149476 789094282 /nfs/dbraw/zinc/09/42/82/789094282.db2.gz OVFZWEIVSRCJRZ-GMTAPVOTSA-N 3 0 265.323 1.055 10 0 CDAERP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccns1 ZINC000925040109 789135105 /nfs/dbraw/zinc/13/51/05/789135105.db2.gz GXXFIZDGGZKBJW-CHWSQXEVSA-N 2 0 294.468 1.962 10 0 CDAERP COCC(C)(C)C[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720858006 789317456 /nfs/dbraw/zinc/31/74/56/789317456.db2.gz QUDJZHIACVLWGU-UWVGGRQHSA-N 2 0 268.323 1.728 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]2CN(Cc3nccn3C3CC3)C[C@@H]21 ZINC000711818870 789324988 /nfs/dbraw/zinc/32/49/88/789324988.db2.gz WELGOWUWFWZFMG-FPMFFAJLSA-N 2 0 260.385 1.777 10 0 CDAERP C(C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923366738 789348229 /nfs/dbraw/zinc/34/82/29/789348229.db2.gz PXJBWFHCZWQHHT-NPYXIHBLSA-N 3 0 277.456 1.983 10 0 CDAERP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)CCC23CC(C2)C[NH2+]3)C1 ZINC000870936827 789397061 /nfs/dbraw/zinc/39/70/61/789397061.db2.gz QFLSDQKBFAEPKY-OYNVLQORSA-N 2 0 265.401 1.104 10 0 CDAERP COC[C@@H](O)C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000802310401 789666369 /nfs/dbraw/zinc/66/63/69/789666369.db2.gz RGKQRQWAAHXSFC-KBMXLJTQSA-N 2 0 284.444 1.626 10 0 CDAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](C[C@@H]1C[C@H]3C[C@H]3C1)CC2 ZINC000923447261 789719966 /nfs/dbraw/zinc/71/99/66/789719966.db2.gz RGUULBSHEVESAQ-XGUBFFRZSA-N 2 0 264.413 1.862 10 0 CDAERP CC(C)(O)C[C@H](O)C[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000872203096 789728540 /nfs/dbraw/zinc/72/85/40/789728540.db2.gz VMPVKUVSCMOYNI-GPANFISMSA-N 2 0 298.471 1.895 10 0 CDAERP C[C@@H]1CCC[N@@H+]1CCNC(=O)c1ccc(C[NH3+])cc1 ZINC000831970950 789778304 /nfs/dbraw/zinc/77/83/04/789778304.db2.gz OUTGCTBACIAGEQ-GFCCVEGCSA-N 2 0 261.369 1.359 10 0 CDAERP CC1(C)C[NH2+]CC[C@@H](NC(=O)CC[NH2+]CC2CC2)C1 ZINC000872275931 789780295 /nfs/dbraw/zinc/78/02/95/789780295.db2.gz MBXLCGXYCMFPIR-CYBMUJFWSA-N 2 0 267.417 1.271 10 0 CDAERP CCOC(=O)CC(C)(C)C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000838987275 789800658 /nfs/dbraw/zinc/80/06/58/789800658.db2.gz ZNEDNPKIOUMJMV-UHFFFAOYSA-N 2 0 268.401 1.817 10 0 CDAERP Cc1nc([C@H](C)[NH2+]CCN2CCC([NH3+])CC2)c(C)s1 ZINC000925815432 789803309 /nfs/dbraw/zinc/80/33/09/789803309.db2.gz QRZZRGFZRKALHG-JTQLQIEISA-N 2 0 282.457 1.834 10 0 CDAERP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](OC2CCC2)CC1 ZINC000872282310 789839386 /nfs/dbraw/zinc/83/93/86/789839386.db2.gz HDHCHMDUXLCRMP-HOCLYGCPSA-N 2 0 284.444 1.723 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)Nc1cccc2c1CC[NH2+]C2 ZINC000852796325 789841018 /nfs/dbraw/zinc/84/10/18/789841018.db2.gz CADGEOKCLRVTNV-UHFFFAOYSA-N 2 0 271.364 1.581 10 0 CDAERP C[NH+](C)C1CCN(C(=O)C[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000136812311 1167326780 /nfs/dbraw/zinc/32/67/80/1167326780.db2.gz AMZNJKNHGZWGPU-GFCCVEGCSA-N 2 0 255.406 1.303 10 0 CDAERP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1[NH2+]CCCF ZINC001570344974 1167574293 /nfs/dbraw/zinc/57/42/93/1167574293.db2.gz YJARENFKTMHYJR-OLZOCXBDSA-N 2 0 285.407 1.267 10 0 CDAERP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]CCCCCF ZINC001502759194 1167774987 /nfs/dbraw/zinc/77/49/87/1167774987.db2.gz CDANDCMWLVZIJQ-GJZGRUSLSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001567920389 1168072588 /nfs/dbraw/zinc/07/25/88/1168072588.db2.gz CUTXEALPVKEXFE-OAHLLOKOSA-N 2 0 281.444 1.827 10 0 CDAERP CCC[N@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001567314315 1168675563 /nfs/dbraw/zinc/67/55/63/1168675563.db2.gz WHIVXSBZVALFMJ-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP CC/C=C\CC[N@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001567313819 1168675754 /nfs/dbraw/zinc/67/57/54/1168675754.db2.gz OBSOSPMCCHCWGD-PLNGDYQASA-N 2 0 279.428 1.487 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)NCC1([NH2+]C(C)C)CC1 ZINC001483738703 913486419 /nfs/dbraw/zinc/48/64/19/913486419.db2.gz HOPKRINPPAZJRD-LBPRGKRZSA-N 2 0 273.396 1.313 10 0 CDAERP CC(C)[NH2+]C1(CNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001483741188 913521776 /nfs/dbraw/zinc/52/17/76/913521776.db2.gz IFPDSULEJHDEIE-UHFFFAOYSA-N 2 0 253.390 1.118 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]([NH2+]CC=C(C)C)C1 ZINC001266529962 895242987 /nfs/dbraw/zinc/24/29/87/895242987.db2.gz RXGVHUIGZJYMPC-LSDHHAIUSA-N 2 0 299.434 1.823 10 0 CDAERP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]Cc2ccsc2)CC[N@@H+]1C ZINC001567497464 1168813714 /nfs/dbraw/zinc/81/37/14/1168813714.db2.gz YLYBMXMRCAVKRR-TZMCWYRMSA-N 2 0 295.452 1.636 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1C[C@@H]([NH2+]CC=C(C)C)C1 ZINC001266688654 895830325 /nfs/dbraw/zinc/83/03/25/895830325.db2.gz QZJLGUAEOYTDAP-QLFBSQMISA-N 2 0 299.434 1.869 10 0 CDAERP O[C@H](C[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1)C[NH+]1CCCC1 ZINC000723608549 896056889 /nfs/dbraw/zinc/05/68/89/896056889.db2.gz PUYANWPBNIMLNH-ZJIFWQFVSA-N 2 0 282.428 1.238 10 0 CDAERP CC(C)(C(=O)N1CCCC[C@@H]1C[NH2+]CCF)[NH+]1CCCC1 ZINC001266874275 896260898 /nfs/dbraw/zinc/26/08/98/896260898.db2.gz ISYZRYLFZGJIAA-CQSZACIVSA-N 2 0 299.434 1.801 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCCCCF ZINC001266927977 896367331 /nfs/dbraw/zinc/36/73/31/896367331.db2.gz OEDMYJFZFCYYHL-OLZOCXBDSA-N 2 0 273.396 1.315 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CCCF ZINC001266975005 896473824 /nfs/dbraw/zinc/47/38/24/896473824.db2.gz JLFKOCRLAWLZJL-ZIAGYGMSSA-N 2 0 287.423 1.703 10 0 CDAERP C[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]CCCF ZINC001266975681 896475999 /nfs/dbraw/zinc/47/59/99/896475999.db2.gz OXHLQTSWULNAPF-ZIAGYGMSSA-N 2 0 287.423 1.705 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001267044371 896627771 /nfs/dbraw/zinc/62/77/71/896627771.db2.gz IJQGPEMEXDHDDL-HNNXBMFYSA-N 2 0 293.455 1.875 10 0 CDAERP CCCCC[N@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001267238780 897277111 /nfs/dbraw/zinc/27/71/11/897277111.db2.gz SJJHHOMNSBBNBU-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP CC(C)[C@H](C(=O)N(C)[C@H](C[NH2+]CCF)C1CC1)[NH+](C)C ZINC001283532686 897586078 /nfs/dbraw/zinc/58/60/78/897586078.db2.gz PDTUBZPXPLLKGV-ZIAGYGMSSA-N 2 0 287.423 1.369 10 0 CDAERP CN(CC[NH2+]CCF)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001567573398 1168867153 /nfs/dbraw/zinc/86/71/53/1168867153.db2.gz CVYMVUWGHSQYDE-OLZOCXBDSA-N 2 0 271.380 1.021 10 0 CDAERP CC(C)=CC[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001267372507 897747110 /nfs/dbraw/zinc/74/71/10/897747110.db2.gz SNCFEUHMUMZRQD-HNNXBMFYSA-N 2 0 281.444 1.873 10 0 CDAERP CC(C)[C@H](C(=O)N(C)CC[NH2+]C[C@H]1CCCCO1)[NH+](C)C ZINC001267424716 897892067 /nfs/dbraw/zinc/89/20/67/897892067.db2.gz ADNVHDMBNOZRMQ-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP COCCC[NH2+]CCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001481246311 899626773 /nfs/dbraw/zinc/62/67/73/899626773.db2.gz SHLVBJXXXAZLTG-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]C/C=C\Cl ZINC001267986629 900200480 /nfs/dbraw/zinc/20/04/80/900200480.db2.gz NPYOMSIYYMOLCF-VNRFJKPMSA-N 2 0 287.835 1.421 10 0 CDAERP Cc1c(C(=O)NC[C@H](C)C[NH2+]CCF)ccc2c[nH+]cn21 ZINC001267992017 900214759 /nfs/dbraw/zinc/21/47/59/900214759.db2.gz CYADZAAWXKMWSZ-LLVKDONJSA-N 2 0 292.358 1.568 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001268014030 900297899 /nfs/dbraw/zinc/29/78/99/900297899.db2.gz JIBXDHQYWQVRKN-UONOGXRCSA-N 2 0 269.433 1.470 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001567713969 1168930212 /nfs/dbraw/zinc/93/02/12/1168930212.db2.gz CBDLGFUSWLNAES-AWEZNQCLSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1[NH2+]CCF ZINC001268138114 901383482 /nfs/dbraw/zinc/38/34/82/901383482.db2.gz AMDHRMKGTHMIJC-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@H](O)CC2CCCC2)C1 ZINC000300072309 901885226 /nfs/dbraw/zinc/88/52/26/901885226.db2.gz MMSLMNXSSYXLAH-NWANDNLSSA-N 2 0 254.418 1.987 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1cc(C)on1)[NH+](C)C ZINC001268406377 902007536 /nfs/dbraw/zinc/00/75/36/902007536.db2.gz WQQSMQYBUTVANZ-RISCZKNCSA-N 2 0 296.415 1.308 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CC1CCC1 ZINC001481812702 902165701 /nfs/dbraw/zinc/16/57/01/902165701.db2.gz RUDMLXUBAJJDMK-HZPDHXFCSA-N 2 0 293.455 1.613 10 0 CDAERP CCN(CC[NH2+]CC[C@H](C)F)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001268479044 902295503 /nfs/dbraw/zinc/29/55/03/902295503.db2.gz CHDJVCDNXVBRIT-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]([NH2+]CC)C(C)C)C1 ZINC001422115549 902302198 /nfs/dbraw/zinc/30/21/98/902302198.db2.gz CWNABNTYMLXMKF-LSDHHAIUSA-N 2 0 283.460 1.859 10 0 CDAERP CCC[NH2+]C[C@@](C)(NC(=O)[C@@H](C)Cc1c[nH]cn1)C1CC1 ZINC001481943560 902387260 /nfs/dbraw/zinc/38/72/60/902387260.db2.gz IVAKHUDSWVCIIA-BLLLJJGKSA-N 2 0 292.427 1.873 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CCC(F)(F)F ZINC001268524110 902505813 /nfs/dbraw/zinc/50/58/13/902505813.db2.gz SNJSFNDSRHSHDG-OTDNITJGSA-N 2 0 293.333 1.295 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC/C=C\C[NH2+]C[C@H](C)OC)CC[N@@H+]1C ZINC001268541473 902536089 /nfs/dbraw/zinc/53/60/89/902536089.db2.gz FESQFEIUULQHPA-AOPHHVFOSA-N 2 0 297.443 1.014 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCOC ZINC001482057537 902569424 /nfs/dbraw/zinc/56/94/24/902569424.db2.gz LPFCDKVLCOFXSV-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CN(CCC[NH2+]C[C@@H]1CCCCO1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001498525718 902720869 /nfs/dbraw/zinc/72/08/69/902720869.db2.gz DHBVEOIKNUCJFG-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP COCCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001268742820 903065486 /nfs/dbraw/zinc/06/54/86/903065486.db2.gz IGRKNLLXSNUHGQ-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP CC[C@H](C(=O)N(C)[C@H]1CC[N@H+](CC=C(C)C)C1)[NH+](C)C ZINC001269250177 903609325 /nfs/dbraw/zinc/60/93/25/903609325.db2.gz AEQVBKWQTQJZTP-LSDHHAIUSA-N 2 0 281.444 1.826 10 0 CDAERP O=C(NCC1([NH2+]CCCF)CC1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001269505295 903870489 /nfs/dbraw/zinc/87/04/89/903870489.db2.gz AVLVPXJICBCUPE-UONOGXRCSA-N 2 0 297.418 1.601 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@](C)(C[NH2+]CCF)C2CC2)C1 ZINC001269634017 903997027 /nfs/dbraw/zinc/99/70/27/903997027.db2.gz JAZHAWSEFKUXPH-IUODEOHRSA-N 2 0 285.407 1.172 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]CCF)C2CCCC2)C1 ZINC001270458182 904654161 /nfs/dbraw/zinc/65/41/61/904654161.db2.gz KPXXAKZEUXIADY-UONOGXRCSA-N 2 0 285.407 1.172 10 0 CDAERP CC(C)CCC[NH2+]C[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001482353175 905174273 /nfs/dbraw/zinc/17/42/73/905174273.db2.gz DYPYHMBBMUKSHB-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP COCCCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001482432996 905389451 /nfs/dbraw/zinc/38/94/51/905389451.db2.gz IWRHSOXYMNVLOT-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001482446187 905475240 /nfs/dbraw/zinc/47/52/40/905475240.db2.gz QNBLJMURMRHBJO-KBPBESRZSA-N 2 0 267.417 1.461 10 0 CDAERP C[C@@H](C[NH2+]C/C=C\Cl)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001271068815 905611391 /nfs/dbraw/zinc/61/13/91/905611391.db2.gz TYNKIBAXLMKLBV-ZADDAZQUSA-N 2 0 273.808 1.270 10 0 CDAERP C[C@@H]([NH2+]CCCF)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001271654108 906572242 /nfs/dbraw/zinc/57/22/42/906572242.db2.gz BHUTVZGHWAPIOT-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)=CC[NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001271923543 906985354 /nfs/dbraw/zinc/98/53/54/906985354.db2.gz WWEIUEHSSGGRHS-HNNXBMFYSA-N 2 0 293.455 1.779 10 0 CDAERP CN(CC[N@H+](C)CCCF)C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001482633280 908090037 /nfs/dbraw/zinc/09/00/37/908090037.db2.gz BYMHWDKRGOYXEB-HUUCEWRRSA-N 2 0 299.434 1.753 10 0 CDAERP CN(CC[N@H+](C)CC1CCCC1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001482650859 908114615 /nfs/dbraw/zinc/11/46/15/908114615.db2.gz ZCDNBDOVYOIHMN-HNNXBMFYSA-N 2 0 281.444 1.519 10 0 CDAERP CCN(CC[NH2+]C(C)C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001482969796 908555439 /nfs/dbraw/zinc/55/54/39/908555439.db2.gz KSXWOPRFWSMSAV-KBPBESRZSA-N 2 0 269.433 1.706 10 0 CDAERP CCCCC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001483093123 909322338 /nfs/dbraw/zinc/32/23/38/909322338.db2.gz NNRZFWGMXBIMFU-LMVHVUTASA-N 2 0 267.417 1.390 10 0 CDAERP C[C@H](C[NH2+][C@H](C)c1ccccc1F)NC(=O)CC[NH+](C)C ZINC001483162776 909890983 /nfs/dbraw/zinc/89/09/83/909890983.db2.gz MZFFLMYVQJJYPS-CHWSQXEVSA-N 2 0 295.402 1.933 10 0 CDAERP Cc1nocc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001409365763 910336491 /nfs/dbraw/zinc/33/64/91/910336491.db2.gz ADOFOJANXVEWIC-NWDGAFQWSA-N 2 0 296.415 1.308 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC1CC1 ZINC001425689115 910382756 /nfs/dbraw/zinc/38/27/56/910382756.db2.gz BJAJOGZBWQEJOJ-ZFWWWQNUSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]C(C)C ZINC001483244023 910723849 /nfs/dbraw/zinc/72/38/49/910723849.db2.gz QADNYPJJENFOMJ-KBPBESRZSA-N 2 0 269.433 1.610 10 0 CDAERP C[C@H](C[N@H+](C)CCCF)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001483339651 910932763 /nfs/dbraw/zinc/93/27/63/910932763.db2.gz RVZABQPTQLHHAJ-OCCSQVGLSA-N 2 0 285.407 1.124 10 0 CDAERP CC(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001507325441 911078438 /nfs/dbraw/zinc/07/84/38/911078438.db2.gz AEQXEZOUZCRXSV-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@H](C)C[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001483485892 911179972 /nfs/dbraw/zinc/17/99/72/911179972.db2.gz NYQXAUMHWUEPRZ-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@@]2(C1)CCC[N@H+](CCCF)C2 ZINC001483833699 915104475 /nfs/dbraw/zinc/10/44/75/915104475.db2.gz NPTDODBHYFUQTE-INIZCTEOSA-N 2 0 299.434 1.612 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@@](C)(NC(=O)Cn2ccnc2)C1 ZINC001484072866 915396173 /nfs/dbraw/zinc/39/61/73/915396173.db2.gz CUACZHDYMCEIGZ-MRXNPFEDSA-N 2 0 292.427 1.900 10 0 CDAERP CC[C@H](F)CN1CC([C@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001409917861 915830782 /nfs/dbraw/zinc/83/07/82/915830782.db2.gz NDVCSUYIMCZIKP-JSGCOSHPSA-N 2 0 299.434 1.513 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCC1 ZINC001484662546 916009823 /nfs/dbraw/zinc/00/98/23/916009823.db2.gz KKMHWPUGXNQOBW-UHFFFAOYSA-N 2 0 267.417 1.511 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001484722884 916082438 /nfs/dbraw/zinc/08/24/38/916082438.db2.gz KDHOPTDGORJABT-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP CCC[NH2+]CC1(NC(=O)C[N@H+](C)C2CCC2)CCOCC1 ZINC001484864532 916216457 /nfs/dbraw/zinc/21/64/57/916216457.db2.gz JOTBSLYHMJJSRC-UHFFFAOYSA-N 2 0 297.443 1.136 10 0 CDAERP C[C@H](F)CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001484997498 916361290 /nfs/dbraw/zinc/36/12/90/916361290.db2.gz YIJQAYRWZDUXAY-IHRRRGAJSA-N 2 0 287.423 1.703 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](C)CC)CC[N@@H+]1C ZINC001485307439 916822264 /nfs/dbraw/zinc/82/22/64/916822264.db2.gz QOZNELYHBXLKRI-FRRDWIJNSA-N 2 0 255.406 1.173 10 0 CDAERP CC(C)C[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001485578082 917106015 /nfs/dbraw/zinc/10/60/15/917106015.db2.gz UIQORXAPAALFSC-ZDUSSCGKSA-N 2 0 269.433 1.421 10 0 CDAERP C[N@H+](CC(=O)N[C@H]1C[C@H](C[NH2+]CC2CC2)C1)C1CCC1 ZINC001485686405 917183647 /nfs/dbraw/zinc/18/36/47/917183647.db2.gz SJJYECDZSMNYGH-HDJSIYSDSA-N 2 0 279.428 1.365 10 0 CDAERP C[C@@H](CC[NH2+]CCF)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001272828795 919858166 /nfs/dbraw/zinc/85/81/66/919858166.db2.gz DGGJKGXHHUSIFT-ZFWWWQNUSA-N 2 0 299.434 1.847 10 0 CDAERP C[C@H](CC[NH2+]CCF)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001272828791 919858479 /nfs/dbraw/zinc/85/84/79/919858479.db2.gz DGGJKGXHHUSIFT-HIFRSBDPSA-N 2 0 299.434 1.847 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]C(C)C ZINC001485884123 920543749 /nfs/dbraw/zinc/54/37/49/920543749.db2.gz ZUCFHTLESBVHBS-KBPBESRZSA-N 2 0 269.433 1.706 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC)[C@H]2C1 ZINC001486165622 920769175 /nfs/dbraw/zinc/76/91/75/920769175.db2.gz HPCAEOAUBNUXQN-KKUMJFAQSA-N 2 0 281.444 1.565 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001491061536 936847788 /nfs/dbraw/zinc/84/77/88/936847788.db2.gz NGQBZLVWXFJEHH-GASCZTMLSA-N 2 0 281.444 1.755 10 0 CDAERP COC[C@H](C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1)OC ZINC000923506621 923886009 /nfs/dbraw/zinc/88/60/09/923886009.db2.gz LFEUYJOORLKDKP-ZBFHGGJFSA-N 2 0 284.444 1.750 10 0 CDAERP C([C@@H]1C[C@H]2CCC[C@@H]2O1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516270 923892460 /nfs/dbraw/zinc/89/24/60/923892460.db2.gz XKAZKMVYVRVQDZ-SEBNEYGDSA-N 2 0 250.386 1.485 10 0 CDAERP CC[NH2+]C1(CNC(=O)CCCC[NH+](C)C)CCC1 ZINC001273187517 923930484 /nfs/dbraw/zinc/93/04/84/923930484.db2.gz WQTAQYNMEWDSGS-UHFFFAOYSA-N 2 0 255.406 1.367 10 0 CDAERP CCCCC[NH2+][C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001491477442 936922777 /nfs/dbraw/zinc/92/27/77/936922777.db2.gz JCFZLTVFRZJWFY-ZDUSSCGKSA-N 2 0 269.433 1.755 10 0 CDAERP CC1CC(C[NH2+]C[C@H]2C[C@H](NC(=O)CCC[NH+](C)C)C2)C1 ZINC001410214547 925408094 /nfs/dbraw/zinc/40/80/94/925408094.db2.gz JSABKCIIJHYMPS-QJKUTOJQSA-N 2 0 295.471 1.859 10 0 CDAERP CC[C@@H](C(=O)N(C)C[C@@H](C)NCc1nocc1C)[NH+](C)C ZINC001410434161 925655816 /nfs/dbraw/zinc/65/58/16/925655816.db2.gz ISRDTOFYMWVIRO-OCCSQVGLSA-N 2 0 296.415 1.260 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001488771798 926686610 /nfs/dbraw/zinc/68/66/10/926686610.db2.gz RBHIOHOLLURLLW-OIWRZFCRSA-N 2 0 273.808 1.175 10 0 CDAERP CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001488954262 926760987 /nfs/dbraw/zinc/76/09/87/926760987.db2.gz GQIRJRBGJLCKLL-UONOGXRCSA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CCF)C(C)(C)C1 ZINC001411027041 926902014 /nfs/dbraw/zinc/90/20/14/926902014.db2.gz VCLKHGDMZXQXSM-GFCCVEGCSA-N 2 0 273.396 1.123 10 0 CDAERP CC(C)[NH+]1CCCC[C@H]1C(=O)NCCC[N@@H+](C)C[C@@H](C)O ZINC001490255449 927062280 /nfs/dbraw/zinc/06/22/80/927062280.db2.gz CVTSMJVWHYLPMK-CABCVRRESA-N 2 0 299.459 1.068 10 0 CDAERP C[C@H]([NH2+]CC(C)(C)CS(C)(=O)=O)C1CC[NH+](C)CC1 ZINC000692984684 937237357 /nfs/dbraw/zinc/23/73/57/937237357.db2.gz LWYJZOAJEJVBIW-LBPRGKRZSA-N 2 0 290.473 1.377 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=S)NC[C@@H]1CCC[NH+]1C ZINC000863241050 929525491 /nfs/dbraw/zinc/52/54/91/929525491.db2.gz ZOWGPPZBVCFSHS-QWHCGFSZSA-N 2 0 284.473 1.029 10 0 CDAERP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1[NH2+]CCCF ZINC001274251496 931485127 /nfs/dbraw/zinc/48/51/27/931485127.db2.gz PKDQNVWLKOHUNM-OLZOCXBDSA-N 2 0 285.407 1.124 10 0 CDAERP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CO[C@H](C3CC3)C2)CC1 ZINC000825341644 931501646 /nfs/dbraw/zinc/50/16/46/931501646.db2.gz PPLVSNWDLCTGDV-NXOAAHMSSA-N 2 0 294.439 1.521 10 0 CDAERP CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001274460266 931501701 /nfs/dbraw/zinc/50/17/01/931501701.db2.gz PKTPJQBAJQQRFN-CYBMUJFWSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001275309801 931730906 /nfs/dbraw/zinc/73/09/06/931730906.db2.gz MMCDJQPHFDCVAU-KBPBESRZSA-N 2 0 269.433 1.469 10 0 CDAERP COCCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001275334688 931736965 /nfs/dbraw/zinc/73/69/65/931736965.db2.gz QTWQCEOEZRQIMW-LSDHHAIUSA-N 2 0 299.459 1.380 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)NCC[C@H]2CCC[NH+](C)C2)C1 ZINC001412216433 932328748 /nfs/dbraw/zinc/32/87/48/932328748.db2.gz LFOZHZQFYDFLMZ-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](CNC(=O)CC[N@@H+]1CC[C@@H](F)C1)C[NH+]1CCCC1 ZINC001412439412 932431055 /nfs/dbraw/zinc/43/10/55/932431055.db2.gz CHZWMCZOSXOETL-ZIAGYGMSSA-N 2 0 285.407 1.268 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC001412548108 932492090 /nfs/dbraw/zinc/49/20/90/932492090.db2.gz VNBBEIIOEMXFLQ-CVEARBPZSA-N 2 0 293.455 1.707 10 0 CDAERP C1CC1[NH+]1CCC(N[C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925513236 932896590 /nfs/dbraw/zinc/89/65/90/932896590.db2.gz GGZHWOFPOFFDHI-HNNXBMFYSA-N 2 0 263.429 1.878 10 0 CDAERP C[C@@H]1C[N@@H+](CCCC[NH2+][C@H]2CC[NH2+]C23CCC3)C[C@H](C)O1 ZINC000925570900 932906879 /nfs/dbraw/zinc/90/68/79/932906879.db2.gz YSTLTNHRAQMHGR-XHSDSOJGSA-N 3 0 295.471 1.750 10 0 CDAERP C[NH+]1CCC2(CCN(C(=O)C[NH2+]CC3CC3)CC2)CC1 ZINC000691937202 933448030 /nfs/dbraw/zinc/44/80/30/933448030.db2.gz AWMXZNQNLKBRLS-UHFFFAOYSA-N 2 0 279.428 1.320 10 0 CDAERP C([NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)[C@H]1CCOC1 ZINC001119630889 937741538 /nfs/dbraw/zinc/74/15/38/937741538.db2.gz KBDZOROBDDKICM-SNPRPXQTSA-N 2 0 252.402 1.781 10 0 CDAERP C[C@H](CN[C@@H]1C[C@@H]([NH3+])C12CCC2)C[NH+]1CCCCC1 ZINC000405295922 940980081 /nfs/dbraw/zinc/98/00/81/940980081.db2.gz GRETZQYUIQYNRM-RBSFLKMASA-N 2 0 265.445 1.968 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC001362081314 970860698 /nfs/dbraw/zinc/86/06/98/970860698.db2.gz TTWSQXGQTLMWNT-ARFHVFGLSA-N 2 0 293.455 1.707 10 0 CDAERP CCN(CC[NH2+]C/C=C\Cl)C(=O)C1(C[NH+](C)C)CC1 ZINC001568770286 1169470189 /nfs/dbraw/zinc/47/01/89/1169470189.db2.gz YSEUVSITXUBXKT-YVMONPNESA-N 2 0 287.835 1.519 10 0 CDAERP C[C@H](F)CC[NH2+]CC1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001282066052 942653730 /nfs/dbraw/zinc/65/37/30/942653730.db2.gz FJUGBBLCXKTBID-HSBZDZAISA-N 2 0 297.418 1.315 10 0 CDAERP COCCCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001282411557 942709361 /nfs/dbraw/zinc/70/93/61/942709361.db2.gz KANIYRSHMXSVKZ-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP CC[N@H+](C)[C@@H](C)CNC(=O)CCCC[NH+]1CCCC1 ZINC001282504216 942725555 /nfs/dbraw/zinc/72/55/55/942725555.db2.gz LGNMGZYIVRVYSA-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP CCC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C1 ZINC001282830443 942756542 /nfs/dbraw/zinc/75/65/42/942756542.db2.gz AEMLRBXQMOKAIC-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001282960146 942790578 /nfs/dbraw/zinc/79/05/78/942790578.db2.gz YNZHOTZWVBNXDM-MJBXVCDLSA-N 2 0 267.417 1.175 10 0 CDAERP O=C(N[C@H]1C[C@H](C[NH2+]CCF)C1)C12CCC[NH+](CCC1)C2 ZINC001283052013 942812551 /nfs/dbraw/zinc/81/25/51/942812551.db2.gz HKKJAZAGIROIJP-HDJSIYSDSA-N 2 0 297.418 1.316 10 0 CDAERP C[N@H+](CC(=O)N[C@H]1C[C@H](C[NH2+]CCF)C1)CC(C)(C)C ZINC001283080220 942817548 /nfs/dbraw/zinc/81/75/48/942817548.db2.gz OFDYCDBZBSHVGZ-JOCQHMNTSA-N 2 0 287.423 1.418 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH+]1CC[C@H](F)C1 ZINC001362150311 970948149 /nfs/dbraw/zinc/94/81/49/970948149.db2.gz ZOPNPZMPRDFZID-KBPBESRZSA-N 2 0 285.407 1.411 10 0 CDAERP CCOCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@@H]1C ZINC001283881042 943018818 /nfs/dbraw/zinc/01/88/18/943018818.db2.gz JZAWBLFMKGLZKB-HIFRSBDPSA-N 2 0 297.443 1.086 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](C3CC3)C2)C1 ZINC001362162689 970961887 /nfs/dbraw/zinc/96/18/87/970961887.db2.gz ZTZVOIFURQRDCR-KGLIPLIRSA-N 2 0 279.428 1.460 10 0 CDAERP CC[NH2+]CCOCCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001284879089 943272315 /nfs/dbraw/zinc/27/23/15/943272315.db2.gz ZTVCJUYKXFGFCD-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CCCF)C1)[NH+](C)C ZINC001264408715 944129012 /nfs/dbraw/zinc/12/90/12/944129012.db2.gz SBZXVKLTYCJNPV-XQQFMLRXSA-N 2 0 273.396 1.171 10 0 CDAERP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCCF)C2)CC[N@@H+]1C ZINC001264462129 944139684 /nfs/dbraw/zinc/13/96/84/944139684.db2.gz SLPSTYXXSJLBSW-LXTVHRRPSA-N 2 0 299.434 1.561 10 0 CDAERP C[C@H](CN(C)C(=O)CC1CC[NH+](C)CC1)[NH2+]CCCF ZINC001277954572 944208323 /nfs/dbraw/zinc/20/83/23/944208323.db2.gz QTTQHSYOAYCDEF-CYBMUJFWSA-N 2 0 287.423 1.514 10 0 CDAERP C[N@H+](CCCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)CC1CC1 ZINC001265046557 944211996 /nfs/dbraw/zinc/21/19/96/944211996.db2.gz IOZZBMWXFANDLZ-HOTGVXAUSA-N 2 0 293.455 1.851 10 0 CDAERP CC(C)[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001265174890 944260177 /nfs/dbraw/zinc/26/01/77/944260177.db2.gz MVEGAJHHLDEGRQ-UHFFFAOYSA-N 2 0 281.444 1.707 10 0 CDAERP CCOCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001265586606 944437932 /nfs/dbraw/zinc/43/79/32/944437932.db2.gz KHTKOWXBTZKFLN-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@H](C(=O)NCCC[N@H+](C)CC1CC1)[NH+](C)C ZINC001265872278 944551277 /nfs/dbraw/zinc/55/12/77/944551277.db2.gz TYLHXNGSODZSGU-CYBMUJFWSA-N 2 0 255.406 1.175 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001265914007 944570135 /nfs/dbraw/zinc/57/01/35/944570135.db2.gz CJJWSFMUVCLFRB-QWHCGFSZSA-N 2 0 255.406 1.317 10 0 CDAERP CC[C@H](C[N@H+](C)CCCNC(=O)C1CC[NH+](C)CC1)OC ZINC001265917128 944572211 /nfs/dbraw/zinc/57/22/11/944572211.db2.gz CZBRBDWSTLDAJJ-OAHLLOKOSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC1=CCCCC1 ZINC001278017348 944589282 /nfs/dbraw/zinc/58/92/82/944589282.db2.gz JLCKILOSZUURRG-HOCLYGCPSA-N 2 0 293.455 1.875 10 0 CDAERP CC[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)CC(C)C ZINC001266101190 944683016 /nfs/dbraw/zinc/68/30/16/944683016.db2.gz WRIJPJRRVPXKKM-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP Cc1cccc(C[NH2+]C/C=C/CNC(=O)CC[NH+](C)C)c1 ZINC001568912331 1169545165 /nfs/dbraw/zinc/54/51/65/1169545165.db2.gz NNWOLXSCXVDCJJ-SNAWJCMRSA-N 2 0 289.423 1.709 10 0 CDAERP CO[C@H](C)C[NH2+]C/C=C\CNC(=O)CC1CC[NH+](C)CC1 ZINC001568930509 1169553520 /nfs/dbraw/zinc/55/35/20/1169553520.db2.gz HTXUKVULMMQEEM-ZRUQZJFASA-N 2 0 297.443 1.015 10 0 CDAERP CC(C)[C@@H](C(=O)NC/C=C/C[NH2+]CCF)[NH+]1CCCCC1 ZINC001568971721 1169567830 /nfs/dbraw/zinc/56/78/30/1169567830.db2.gz OOZQSULROZPMGF-RGDDUWESSA-N 2 0 299.434 1.728 10 0 CDAERP CC[N@H+](CCO)CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001479855672 971453448 /nfs/dbraw/zinc/45/34/48/971453448.db2.gz COKWEZBTKOCVOS-OAHLLOKOSA-N 2 0 299.459 1.071 10 0 CDAERP CC[C@@H](F)C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001479866373 971462750 /nfs/dbraw/zinc/46/27/50/971462750.db2.gz MXHLPZUVJDPZDC-HIFRSBDPSA-N 2 0 299.434 1.799 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)NC[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001362624962 971469238 /nfs/dbraw/zinc/46/92/38/971469238.db2.gz XHICJARIJGXNNI-QGZVFWFLSA-N 2 0 293.455 1.709 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C[NH2+]CCOC)C(C)(C)C)[NH+](C)C ZINC001279021757 948608953 /nfs/dbraw/zinc/60/89/53/948608953.db2.gz PDONKEKETAEJBO-STQMWFEESA-N 2 0 287.448 1.094 10 0 CDAERP O=C(NC[C@@H]([NH2+]CCCF)C1CC1)C12CCC[NH+]1CCC2 ZINC001480031867 971545933 /nfs/dbraw/zinc/54/59/33/971545933.db2.gz XRZMOXWRBUISSP-CQSZACIVSA-N 2 0 297.418 1.459 10 0 CDAERP COCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001480139577 971598728 /nfs/dbraw/zinc/59/87/28/971598728.db2.gz WKTULHQUYOMQEK-KKUMJFAQSA-N 2 0 297.443 1.133 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001362833820 971653156 /nfs/dbraw/zinc/65/31/56/971653156.db2.gz IDZFMWPSWSIEPY-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001480301023 971663263 /nfs/dbraw/zinc/66/32/63/971663263.db2.gz SRIMJQGDGCRJDI-CVEARBPZSA-N 2 0 295.471 1.812 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@@H]1CC[C@H](C[NH2+]CCCF)C1 ZINC001278614539 950464620 /nfs/dbraw/zinc/46/46/20/950464620.db2.gz YLMKMOXRKTVOID-UONOGXRCSA-N 2 0 285.407 1.316 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001480436763 971727256 /nfs/dbraw/zinc/72/72/56/971727256.db2.gz WZAIFBUOVBCXNL-OLZOCXBDSA-N 2 0 253.390 1.141 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001480549258 971778784 /nfs/dbraw/zinc/77/87/84/971778784.db2.gz RFLCEAZKFKOXSY-AWEZNQCLSA-N 2 0 281.444 1.779 10 0 CDAERP C[C@H](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CC1 ZINC001480803985 971885916 /nfs/dbraw/zinc/88/59/16/971885916.db2.gz OGQFMTKOKYGSKC-OCCSQVGLSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C1CCCC1 ZINC001324497308 953415376 /nfs/dbraw/zinc/41/53/76/953415376.db2.gz IZMLKCXGQFRDAV-CQSZACIVSA-N 2 0 269.433 1.611 10 0 CDAERP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[C@H](CC[NH+](C)C)C1 ZINC001363562523 953459291 /nfs/dbraw/zinc/45/92/91/953459291.db2.gz KUTDJALAUXUEBQ-KGLIPLIRSA-N 2 0 283.460 1.953 10 0 CDAERP C[NH+](C)C1(C(=O)NC[C@H]2CCCC[N@H+](C)C2)CCCC1 ZINC001363989396 954103572 /nfs/dbraw/zinc/10/35/72/954103572.db2.gz FBCZWMMCAJINJD-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CC[C@@H]([NH+]3CCC3)C2)C1 ZINC001364087981 954188014 /nfs/dbraw/zinc/18/80/14/954188014.db2.gz OBOMEIFGXTXJFI-RBSFLKMASA-N 2 0 279.428 1.413 10 0 CDAERP CC(C)[C@@H](C(=O)N1CC[C@H](CC[NH2+]CC2CC2)C1)[NH+](C)C ZINC001326288231 954301877 /nfs/dbraw/zinc/30/18/77/954301877.db2.gz FEGZRUICBKMPSW-HOTGVXAUSA-N 2 0 295.471 1.811 10 0 CDAERP CCC[N@H+](CCCF)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001493291639 972010676 /nfs/dbraw/zinc/01/06/76/972010676.db2.gz SIVXTIWFCRMCBL-OAHLLOKOSA-N 2 0 299.434 1.516 10 0 CDAERP C[C@]1(CNC(=O)[C@@H]2CCCC[C@H]2[NH3+])CCC[NH2+]C1 ZINC001326536486 954422586 /nfs/dbraw/zinc/42/25/86/954422586.db2.gz LVMXUNGMIKLGOX-BZPMIXESSA-N 2 0 253.390 1.010 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)C[NH+](C)C)C1 ZINC001297527562 955045991 /nfs/dbraw/zinc/04/59/91/955045991.db2.gz CVFKCYSQBNIWQZ-QWHCGFSZSA-N 2 0 255.406 1.173 10 0 CDAERP CC(C)C[NH+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001421671564 955464566 /nfs/dbraw/zinc/46/45/66/955464566.db2.gz YQFLNBHAWAOUDT-UHFFFAOYSA-N 2 0 281.444 1.519 10 0 CDAERP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@H](C[NH2+]CCCF)C1 ZINC001491806320 955472250 /nfs/dbraw/zinc/47/22/50/955472250.db2.gz YNNHFFNUCSJXNK-UKRRQHHQSA-N 2 0 297.418 1.126 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001492144372 955653790 /nfs/dbraw/zinc/65/37/90/955653790.db2.gz WMDBXLPMONXBGV-KBPBESRZSA-N 2 0 267.417 1.461 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)C1CCC([NH2+]CCCO)CC1 ZINC001329257003 955784013 /nfs/dbraw/zinc/78/40/13/955784013.db2.gz SYGAVQTWDLDNLF-UHFFFAOYSA-N 2 0 299.459 1.070 10 0 CDAERP CCC[N@H+](C)CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001316835356 956190346 /nfs/dbraw/zinc/19/03/46/956190346.db2.gz OAVFECYRWAMXCT-UHFFFAOYSA-N 2 0 281.444 1.711 10 0 CDAERP CC(C)C[NH+]1CC([C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001422732541 956296375 /nfs/dbraw/zinc/29/63/75/956296375.db2.gz CSBMJFBNJFGZGJ-AWEZNQCLSA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CC2)C1)[NH+](C)C ZINC001365820206 956388813 /nfs/dbraw/zinc/38/88/13/956388813.db2.gz WYQMKOUIPWZEMK-QLFBSQMISA-N 2 0 281.444 1.611 10 0 CDAERP CC[C@H](C)C[N@H+](C)C[C@@H](C)NC(=O)Cn1cncc1C ZINC001422850791 956403737 /nfs/dbraw/zinc/40/37/37/956403737.db2.gz YRMNQIVFLPLNNS-QWHCGFSZSA-N 2 0 280.416 1.674 10 0 CDAERP CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001422860144 956408585 /nfs/dbraw/zinc/40/85/85/956408585.db2.gz YXSPCRYLDUXBMI-APIJFGDWSA-N 2 0 281.444 1.421 10 0 CDAERP COCC[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001422891463 956431242 /nfs/dbraw/zinc/43/12/42/956431242.db2.gz MHYOMOFMUBAESH-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001422906241 956440269 /nfs/dbraw/zinc/44/02/69/956440269.db2.gz GSFPYRINWHLRLI-KLHDSHLOSA-N 2 0 295.471 1.859 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC2CCC2)C1)[NH+](C)C ZINC001422912392 956447273 /nfs/dbraw/zinc/44/72/73/956447273.db2.gz NWDTWQDGTKFUHT-RBSFLKMASA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001365971060 956477931 /nfs/dbraw/zinc/47/79/31/956477931.db2.gz MBXCAHAHUGBLNM-GJZGRUSLSA-N 2 0 281.444 1.707 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001366167612 956615518 /nfs/dbraw/zinc/61/55/18/956615518.db2.gz GJKCYIWNKVIFKQ-KMUUFKDPSA-N 2 0 287.835 1.708 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CCC[NH2+]CC ZINC001330826501 956653417 /nfs/dbraw/zinc/65/34/17/956653417.db2.gz GIHXHGMAMINQDW-UONOGXRCSA-N 2 0 269.433 1.755 10 0 CDAERP CC(C)C[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001423251548 956688329 /nfs/dbraw/zinc/68/83/29/956688329.db2.gz MCMJNKMSIZQFRD-UHFFFAOYSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@@H](C)C[NH2+][C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001366301650 956721857 /nfs/dbraw/zinc/72/18/57/956721857.db2.gz MZYFTLYVCDYOET-KGLIPLIRSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]CC1CC1 ZINC001366326168 956744883 /nfs/dbraw/zinc/74/48/83/956744883.db2.gz FRENBNITNXFPLE-ZIAGYGMSSA-N 2 0 281.444 1.755 10 0 CDAERP Cc1ccccc1C[NH2+][C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001366369869 956772818 /nfs/dbraw/zinc/77/28/18/956772818.db2.gz VFRNCRMOBRCUPT-OAHLLOKOSA-N 2 0 291.439 1.930 10 0 CDAERP CC(C)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001331405122 957029361 /nfs/dbraw/zinc/02/93/61/957029361.db2.gz KCXLBBALJDJYCO-OLZOCXBDSA-N 2 0 255.406 1.173 10 0 CDAERP C[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)CC1CCC1 ZINC001316836399 957058767 /nfs/dbraw/zinc/05/87/67/957058767.db2.gz WXOHEYMZADHARX-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001424037025 957094524 /nfs/dbraw/zinc/09/45/24/957094524.db2.gz GFYWWNKDGUIGKQ-GJZGRUSLSA-N 2 0 281.444 1.804 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001366665866 957099984 /nfs/dbraw/zinc/09/99/84/957099984.db2.gz GIVPCVGNKSEJEB-CABCVRRESA-N 2 0 281.444 1.565 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@H]1CC[N@H+](CC)C1 ZINC001366693177 957117689 /nfs/dbraw/zinc/11/76/89/957117689.db2.gz YGLVHCVRJCVZRE-CHWSQXEVSA-N 2 0 273.396 1.124 10 0 CDAERP CC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001317067839 957241564 /nfs/dbraw/zinc/24/15/64/957241564.db2.gz FSAAZRBFSMMDIH-YJQVQVLHSA-N 2 0 279.428 1.485 10 0 CDAERP CCOCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001317081061 957256134 /nfs/dbraw/zinc/25/61/34/957256134.db2.gz JXACRLHTDBAJMO-KKUMJFAQSA-N 2 0 297.443 1.134 10 0 CDAERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]Cc1ccccc1 ZINC001424844309 957380077 /nfs/dbraw/zinc/38/00/77/957380077.db2.gz SBYCGZKWDNZDIF-LSDHHAIUSA-N 2 0 289.423 1.765 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CC1CCCCC1 ZINC001425002853 957440456 /nfs/dbraw/zinc/44/04/56/957440456.db2.gz BTFUMXKWGIQQDQ-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CC=C(C)C)[NH+](C)C ZINC001317503868 957516992 /nfs/dbraw/zinc/51/69/92/957516992.db2.gz UEFYUQSIXRUZTH-HUUCEWRRSA-N 2 0 281.444 1.873 10 0 CDAERP CCCC1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC001332335545 957521478 /nfs/dbraw/zinc/52/14/78/957521478.db2.gz XUWMSMNLHSVOHO-AWEZNQCLSA-N 2 0 252.402 1.877 10 0 CDAERP CC(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001425406529 957527311 /nfs/dbraw/zinc/52/73/11/957527311.db2.gz RDCIYFBPAFNKGD-VGWMRTNUSA-N 2 0 295.471 1.857 10 0 CDAERP CC[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001425902997 957638376 /nfs/dbraw/zinc/63/83/76/957638376.db2.gz JWOGXRVFOCTIPQ-ZBFHGGJFSA-N 2 0 279.428 1.604 10 0 CDAERP CC(C)[NH2+][C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC1(C)C ZINC001425967642 957653098 /nfs/dbraw/zinc/65/30/98/957653098.db2.gz RQHJTZIAYOPSMB-ZDUSSCGKSA-N 2 0 281.444 1.563 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)[NH2+]C(C)C ZINC001367113512 957684636 /nfs/dbraw/zinc/68/46/36/957684636.db2.gz JEPHSPUPEXASRU-GJZGRUSLSA-N 2 0 283.460 2.000 10 0 CDAERP CC[C@@H](C(=O)N(C)CC[N@H+](C)CC[C@H](C)F)[NH+](C)C ZINC001367535331 958113457 /nfs/dbraw/zinc/11/34/57/958113457.db2.gz XYZPDGVMYGLNGD-STQMWFEESA-N 2 0 275.412 1.465 10 0 CDAERP Cc1cccc(C)c1C[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001367698038 958226371 /nfs/dbraw/zinc/22/63/71/958226371.db2.gz YSXUCFVIVHJQTG-OAHLLOKOSA-N 2 0 291.439 1.849 10 0 CDAERP C[C@@H]1CCCC[C@@]1(C[NH2+]CCF)NC(=O)C[NH+]1CCCC1 ZINC001318757850 958255906 /nfs/dbraw/zinc/25/59/06/958255906.db2.gz JSKPMJAAJXHAIO-ZBFHGGJFSA-N 2 0 299.434 1.706 10 0 CDAERP COCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001319069569 958361781 /nfs/dbraw/zinc/36/17/81/958361781.db2.gz AHZQWQDZEXMBDB-CABCVRRESA-N 2 0 297.443 1.086 10 0 CDAERP CCCCC[NH2+]C[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001319270885 958468608 /nfs/dbraw/zinc/46/86/08/958468608.db2.gz TTWCQWKLFMCJHN-AWEZNQCLSA-N 2 0 281.444 1.614 10 0 CDAERP CCC[NH2+]C[C@@H](C)CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001319273145 958470542 /nfs/dbraw/zinc/47/05/42/958470542.db2.gz ZTTHHOHCNQPZMR-HIFRSBDPSA-N 2 0 267.417 1.224 10 0 CDAERP CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001319515926 958606792 /nfs/dbraw/zinc/60/67/92/958606792.db2.gz SPBLVTKIIRPRDA-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CC[NH+]1CCC(C)(NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001368121119 958650709 /nfs/dbraw/zinc/65/07/09/958650709.db2.gz IJLXWHJYGXHORM-AWEZNQCLSA-N 2 0 281.444 1.851 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001368436516 958842806 /nfs/dbraw/zinc/84/28/06/958842806.db2.gz JTVHEDKUYGMENB-KGLIPLIRSA-N 2 0 285.407 1.363 10 0 CDAERP CC[C@H](C[NH2+]C[C@H]1CCCCN1C(=O)CC[NH+](C)C)OC ZINC001368459954 958866435 /nfs/dbraw/zinc/86/64/35/958866435.db2.gz NVLMZGYKYSYRMJ-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001368501911 958907893 /nfs/dbraw/zinc/90/78/93/958907893.db2.gz SVVFCOKBJVAPAZ-XUWVNRHRSA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)(C(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CCF)[NH+]1CCCC1 ZINC001320155147 958974518 /nfs/dbraw/zinc/97/45/18/958974518.db2.gz QGASYJOLKSGUCL-ZIAGYGMSSA-N 2 0 299.434 1.705 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)[C@H]21 ZINC001368692556 959042582 /nfs/dbraw/zinc/04/25/82/959042582.db2.gz GBIRHLAWUPGXCF-BMFZPTHFSA-N 2 0 295.471 1.953 10 0 CDAERP Cc1cnc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CC[NH+](C)C)s1 ZINC001368867904 959206897 /nfs/dbraw/zinc/20/68/97/959206897.db2.gz ODCCEEJUKNAILR-RYUDHWBXSA-N 2 0 298.456 1.386 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccccn1 ZINC001368901312 959234826 /nfs/dbraw/zinc/23/48/26/959234826.db2.gz UIWCQBRDDNSTAZ-KBPBESRZSA-N 2 0 292.427 1.406 10 0 CDAERP CCN(CC[NH2+]CC1CC(C)C1)C(=O)C1CC[NH+](C)CC1 ZINC001320831643 959417274 /nfs/dbraw/zinc/41/72/74/959417274.db2.gz ZUOPQXOUICGVRX-UHFFFAOYSA-N 2 0 295.471 1.812 10 0 CDAERP CC1CC(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001320997934 959521317 /nfs/dbraw/zinc/52/13/17/959521317.db2.gz LVZHXLDATJVVSP-PFKRTQHPSA-N 2 0 279.428 1.389 10 0 CDAERP OCC12CCC(CC1)[N@@H+]2CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001335190565 959622093 /nfs/dbraw/zinc/62/20/93/959622093.db2.gz SOCQCYGPLASLOZ-KDJGIRDZSA-N 2 0 264.413 1.896 10 0 CDAERP CCC/C=C/CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001321480153 959808783 /nfs/dbraw/zinc/80/87/83/959808783.db2.gz YQHVYKDQLAYQTO-CNBITHIKSA-N 2 0 281.444 1.921 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C[NH2+]C/C=C/Cl)[NH+](C)C ZINC001321564211 959855691 /nfs/dbraw/zinc/85/56/91/959855691.db2.gz QIAGOJYNJMFZQW-AFPRHGJPSA-N 2 0 261.797 1.173 10 0 CDAERP C[C@H](C[NH2+]CCC1CC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001321627714 959877923 /nfs/dbraw/zinc/87/79/23/959877923.db2.gz KROURGDOTVRRHI-IPYPFGDCSA-N 2 0 281.444 1.611 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH2+]CC2CC2)C1 ZINC001371321796 972470743 /nfs/dbraw/zinc/47/07/43/972470743.db2.gz IXQVYOUDRIVDKI-HIFRSBDPSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C ZINC001432588523 960117027 /nfs/dbraw/zinc/11/70/27/960117027.db2.gz VFCCBRWIQGGZMC-LSDHHAIUSA-N 2 0 293.455 1.565 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001370677426 960180752 /nfs/dbraw/zinc/18/07/52/960180752.db2.gz VCTACWJNTHXTKB-YHUYYLMFSA-N 2 0 295.471 2.000 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001370829586 960210142 /nfs/dbraw/zinc/21/01/42/960210142.db2.gz HJEYAJLMNAORDV-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC1 ZINC001323000487 960401086 /nfs/dbraw/zinc/40/10/86/960401086.db2.gz NYGNURIWVMVBFY-MELADBBJSA-N 2 0 267.417 1.221 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2CCC[NH+](C)C2)C1 ZINC001433669136 960501589 /nfs/dbraw/zinc/50/15/89/960501589.db2.gz FFRIIOBYZUBUMG-GJZGRUSLSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)C2([NH+](C)C)CCCC2)CC[N@@H+]1C ZINC001433726854 960558545 /nfs/dbraw/zinc/55/85/45/960558545.db2.gz NTNUQGYHBWDMTB-KGLIPLIRSA-N 2 0 281.444 1.802 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCCCCF ZINC001323277666 960604580 /nfs/dbraw/zinc/60/45/80/960604580.db2.gz MGCRJPMWEWLSLF-ZIAGYGMSSA-N 2 0 285.407 1.411 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccns2)C1 ZINC001418637010 960835459 /nfs/dbraw/zinc/83/54/59/960835459.db2.gz BQUMQYCCWHJARF-TXEJJXNPSA-N 2 0 296.440 1.079 10 0 CDAERP CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(C)C)C1)[NH+](C)C ZINC001418726566 960949867 /nfs/dbraw/zinc/94/98/67/960949867.db2.gz WXIDXMROPFFGKY-ZNMIVQPWSA-N 2 0 283.460 1.857 10 0 CDAERP O=C(NCC[C@@H]1CC[N@H+](CC2CC2)C1)C12CC[NH+](CC1)C2 ZINC001418913967 961152902 /nfs/dbraw/zinc/15/29/02/961152902.db2.gz MKOKEYHFGLVZIQ-OAHLLOKOSA-N 2 0 291.439 1.320 10 0 CDAERP CC[C@@H](F)CN1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001419062236 961320191 /nfs/dbraw/zinc/32/01/91/961320191.db2.gz SRQDCCGIYGVAEK-OLZOCXBDSA-N 2 0 285.407 1.267 10 0 CDAERP CN(C(=O)CC[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CC2CC2)C1 ZINC001419110985 961386140 /nfs/dbraw/zinc/38/61/40/961386140.db2.gz HKBWJWLNKNIPCR-CVEARBPZSA-N 2 0 293.455 1.804 10 0 CDAERP CC[C@@H](C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C(C)C)C1)OC ZINC001419127600 961403312 /nfs/dbraw/zinc/40/33/12/961403312.db2.gz MVRLWMIIKLMIDX-CABCVRRESA-N 2 0 299.459 1.284 10 0 CDAERP C[N@H+](C[C@@H](O)CN1CCC[C@H](c2ccncn2)C1)C1CC1 ZINC001434456491 961429483 /nfs/dbraw/zinc/42/94/83/961429483.db2.gz DMNFRHKLZKPFPP-DZGCQCFKSA-N 2 0 290.411 1.111 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1conc1C ZINC001419175212 961468861 /nfs/dbraw/zinc/46/88/61/961468861.db2.gz HGTBHMBLPMMGKP-KGLIPLIRSA-N 2 0 294.399 1.062 10 0 CDAERP CO[C@H]1C[C@@H](C[NH+]2CCC(O)(C[NH+]3CCCCC3)CC2)C1 ZINC001434509069 961586899 /nfs/dbraw/zinc/58/68/99/961586899.db2.gz MMJOKECZKQJDPU-IYBDPMFKSA-N 2 0 296.455 1.724 10 0 CDAERP CC(C)[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001419361238 961632752 /nfs/dbraw/zinc/63/27/52/961632752.db2.gz NHUYUUVYZTZOBC-CABCVRRESA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@H](C[NH2+]C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1)OC ZINC001419577576 961830343 /nfs/dbraw/zinc/83/03/43/961830343.db2.gz ILKFCCRNAHPVFC-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP CC1CC(C[NH2+]C[C@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001419620828 961875502 /nfs/dbraw/zinc/87/55/02/961875502.db2.gz ROPLOYJLHKFSRO-UYSNPLJNSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1cnc(C)o1)[NH+](C)C ZINC001419741502 962058789 /nfs/dbraw/zinc/05/87/89/962058789.db2.gz VXUQYCKFMNTCBA-RISCZKNCSA-N 2 0 296.415 1.260 10 0 CDAERP CC(C)[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC1CCC1 ZINC001419939392 962255979 /nfs/dbraw/zinc/25/59/79/962255979.db2.gz WCBBNKABYCOTQK-GJZGRUSLSA-N 2 0 281.444 1.469 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CC1CC1 ZINC001436482571 962275944 /nfs/dbraw/zinc/27/59/44/962275944.db2.gz ZUVMCDCGARPXPV-OCCSQVGLSA-N 2 0 279.428 1.460 10 0 CDAERP C[N@H+](CCCF)[C@@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001420044351 962410344 /nfs/dbraw/zinc/41/03/44/962410344.db2.gz SMOBLZUFBBSOMN-HUUCEWRRSA-N 2 0 299.434 1.611 10 0 CDAERP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCC1CC1 ZINC001420080466 962458394 /nfs/dbraw/zinc/45/83/94/962458394.db2.gz MPDJLNSEZOOGGF-UMVBOHGHSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]C/C=C\Cl ZINC001420106657 962476482 /nfs/dbraw/zinc/47/64/82/962476482.db2.gz PKUAITUOQMNSMH-ODBCZPJSSA-N 2 0 287.835 1.708 10 0 CDAERP CCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001437144999 962676496 /nfs/dbraw/zinc/67/64/96/962676496.db2.gz JUAMFRTXOAKCCF-DZGCQCFKSA-N 2 0 281.444 1.898 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001437724888 963144912 /nfs/dbraw/zinc/14/49/12/963144912.db2.gz SIAVGPAYVAZNGB-HUUCEWRRSA-N 2 0 283.460 1.812 10 0 CDAERP Cc1cc(C[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]2CCCC2)on1 ZINC001438722484 963535614 /nfs/dbraw/zinc/53/56/14/963535614.db2.gz NHFAABPUXOTTNG-CYBMUJFWSA-N 2 0 294.399 1.015 10 0 CDAERP CC(C)[C@@H](C(=O)NCCC[N@H+](C)C(C)C)[NH+]1CCCC1 ZINC001479815349 964314343 /nfs/dbraw/zinc/31/43/43/964314343.db2.gz HKJZHEAHWQCGCB-HNNXBMFYSA-N 2 0 283.460 1.953 10 0 CDAERP CO[C@@H](C)C[N@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001441288106 964451699 /nfs/dbraw/zinc/45/16/99/964451699.db2.gz BKRVUAWMRJWTOJ-GJZGRUSLSA-N 2 0 299.459 1.143 10 0 CDAERP CC(C)C[NH2+][C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001441381704 964488583 /nfs/dbraw/zinc/48/85/83/964488583.db2.gz CXIHIAXBTYDLAS-RBSFLKMASA-N 2 0 281.444 1.754 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CCCC[NH+]2CC2CC2)C1 ZINC001441659207 964639580 /nfs/dbraw/zinc/63/95/80/964639580.db2.gz MJGIGPMDUVISDI-HZPDHXFCSA-N 2 0 293.455 1.709 10 0 CDAERP CO[C@@H](C)C[N@H+](C)CCN(C(=O)C[NH+]1CCCC1)C(C)C ZINC001442130932 964882422 /nfs/dbraw/zinc/88/24/22/964882422.db2.gz NOXZZCOIXRKCDB-HNNXBMFYSA-N 2 0 299.459 1.286 10 0 CDAERP C[C@@H](CC[NH+](C)C)NC(=O)c1cccc(CC[NH+](C)C)c1 ZINC001443456993 965477055 /nfs/dbraw/zinc/47/70/55/965477055.db2.gz GCJIQVRSEFPMIB-AWEZNQCLSA-N 2 0 291.439 1.861 10 0 CDAERP CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]C[C@@H](C)CC ZINC001444028172 965715284 /nfs/dbraw/zinc/71/52/84/965715284.db2.gz GEBJFRYPNMQFPI-UONOGXRCSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]CC1CCOCC1)[NH+](C)C ZINC001444711787 965931413 /nfs/dbraw/zinc/93/14/13/965931413.db2.gz QOJPUKXOOSGWEN-UKRRQHHQSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@@H](C[NH2+]CC1CC(C)C1)N(C)C(=O)C[NH+]1CCCC1 ZINC001444725157 965932553 /nfs/dbraw/zinc/93/25/53/965932553.db2.gz LFQHAQRHGBWBEY-SLTAFYQDSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001446295619 966508418 /nfs/dbraw/zinc/50/84/18/966508418.db2.gz KSSSBOFFVARVNY-CABCVRRESA-N 2 0 281.444 1.659 10 0 CDAERP CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C1C[NH+](CC2CCC2)C1 ZINC001446376326 966530130 /nfs/dbraw/zinc/53/01/30/966530130.db2.gz ZBZOUZCLCGLKMM-HNNXBMFYSA-N 2 0 293.455 1.804 10 0 CDAERP CC(C)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001446575504 966588364 /nfs/dbraw/zinc/58/83/64/966588364.db2.gz UIYUFMADLWMVAM-GOEBONIOSA-N 2 0 281.444 1.565 10 0 CDAERP [NH3+][C@H]1CCCC[C@H]1c1nc(CC2CC[NH2+]CC2)no1 ZINC001350693931 966739929 /nfs/dbraw/zinc/73/99/29/966739929.db2.gz SUKDBJSAKXBHAO-NEPJUHHUSA-N 2 0 264.373 1.597 10 0 CDAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CCC[N@H+](C)CCCO ZINC001447372444 966771370 /nfs/dbraw/zinc/77/13/70/966771370.db2.gz JPUVQZCPWYCSRR-GJZGRUSLSA-N 2 0 299.459 1.022 10 0 CDAERP CCC[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001449003990 967330818 /nfs/dbraw/zinc/33/08/18/967330818.db2.gz AJNPAXBLQXAWIZ-ZBFHGGJFSA-N 2 0 281.444 1.850 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001452729069 968167151 /nfs/dbraw/zinc/16/71/51/968167151.db2.gz RKXCXZAREHQQTJ-ILXRZTDVSA-N 2 0 283.460 1.809 10 0 CDAERP CC[NH+]1CCC(NC(=O)[C@@H](C)CC[NH+](C)C)CC1 ZINC001463782070 969750831 /nfs/dbraw/zinc/75/08/31/969750831.db2.gz GRFMVYCQLIYPNF-LBPRGKRZSA-N 2 0 255.406 1.175 10 0 CDAERP C[N@@H+]1C[C@]23C[NH+]([C@@H]4CCOC4)C[C@@]2(C1)CCCC3 ZINC001473900576 969848312 /nfs/dbraw/zinc/84/83/12/969848312.db2.gz CLFNPGHDZIDWOX-KFWWJZLASA-N 2 0 250.386 1.583 10 0 CDAERP CCOCC[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001569642104 1169947698 /nfs/dbraw/zinc/94/76/98/1169947698.db2.gz XIBJQPCKOXGSRB-INIZCTEOSA-N 2 0 297.443 1.088 10 0 CDAERP CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+]2C2CCCC2)C1 ZINC001472451506 970648199 /nfs/dbraw/zinc/64/81/99/970648199.db2.gz VBCFODCXXHXGFZ-HUUCEWRRSA-N 2 0 279.428 1.556 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001569646798 1169950362 /nfs/dbraw/zinc/95/03/62/1169950362.db2.gz RZKNOAXPBYUUCB-CQSZACIVSA-N 2 0 255.406 1.175 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCC2CC2)[C@H](C)C1 ZINC001496376370 972902892 /nfs/dbraw/zinc/90/28/92/972902892.db2.gz QJBCRZXVYNUPCL-ZBFHGGJFSA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@H](F)C[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)C(C)C ZINC001496640881 973004106 /nfs/dbraw/zinc/00/41/06/973004106.db2.gz DJJJCRUQVKRLHA-UONOGXRCSA-N 2 0 287.423 1.561 10 0 CDAERP C[C@@H](CC[NH2+]C/C=C/Cl)NC(=O)C1([NH+](C)C)CCC1 ZINC001497206013 973244347 /nfs/dbraw/zinc/24/43/47/973244347.db2.gz PTYXJMHNYFGGQF-LHXVZLOVSA-N 2 0 287.835 1.708 10 0 CDAERP C[NH+](C)C1(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CCCC1 ZINC001417670059 973264321 /nfs/dbraw/zinc/26/43/21/973264321.db2.gz XDHFRBVLMSCWSR-GJZGRUSLSA-N 2 0 293.455 1.804 10 0 CDAERP CCN(CC[NH2+]CCCC1CCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001497496052 973367430 /nfs/dbraw/zinc/36/74/30/973367430.db2.gz PZJXHNZMKJXZFQ-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP CCCCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001497817876 973536220 /nfs/dbraw/zinc/53/62/20/973536220.db2.gz KXTFLNGZZHHIAV-MGPQQGTHSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001418078662 973570870 /nfs/dbraw/zinc/57/08/70/973570870.db2.gz XZMWNNNHKMPCGH-JYJNAYRXSA-N 2 0 295.471 2.000 10 0 CDAERP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001418164073 973619450 /nfs/dbraw/zinc/61/94/50/973619450.db2.gz QBFDGOHCYOELKJ-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](F)C[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001373863711 973669612 /nfs/dbraw/zinc/66/96/12/973669612.db2.gz ZIERUPSYOLQJGK-ZIAGYGMSSA-N 2 0 299.434 1.705 10 0 CDAERP CC(C)[NH2+]C[C@@](C)(NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001373872860 973675658 /nfs/dbraw/zinc/67/56/58/973675658.db2.gz COVVNIHVZYXBON-DOTOQJQBSA-N 2 0 293.455 1.611 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001373919958 973690513 /nfs/dbraw/zinc/69/05/13/973690513.db2.gz TWDCFRVUOAKRPT-KBUPBQIOSA-N 2 0 299.434 1.846 10 0 CDAERP Cc1ncc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2C)o1 ZINC001418242187 973691591 /nfs/dbraw/zinc/69/15/91/973691591.db2.gz FZMBLNVZRQOMAR-SMDDNHRTSA-N 2 0 294.399 1.062 10 0 CDAERP CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001418262491 973705004 /nfs/dbraw/zinc/70/50/04/973705004.db2.gz AJSPPJYDTIXEOH-DZGCQCFKSA-N 2 0 281.444 1.898 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)[NH2+]CCF ZINC001418263837 973706564 /nfs/dbraw/zinc/70/65/64/973706564.db2.gz DFSMEHOGQYOIQM-ZFWWWQNUSA-N 2 0 299.434 1.847 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH2+]CCF)C1 ZINC001418262729 973707932 /nfs/dbraw/zinc/70/79/32/973707932.db2.gz BQKPBVLRCPBEFQ-OLZOCXBDSA-N 2 0 273.396 1.172 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001498190675 973733558 /nfs/dbraw/zinc/73/35/58/973733558.db2.gz REGBMWBPYTWSOZ-ZDUSSCGKSA-N 2 0 255.406 1.223 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001418297508 973735172 /nfs/dbraw/zinc/73/51/72/973735172.db2.gz GECIRYSQZIIDAO-KGLIPLIRSA-N 2 0 299.459 1.238 10 0 CDAERP CC[C@H](F)C[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001498460028 973898430 /nfs/dbraw/zinc/89/84/30/973898430.db2.gz YARNVLYHHSEMSA-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP CC(C)[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001499422008 974252203 /nfs/dbraw/zinc/25/22/03/974252203.db2.gz SRWURBFOANTIQI-KGLIPLIRSA-N 2 0 281.444 1.754 10 0 CDAERP CC[C@H](F)C[N@H+](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001375096300 974259495 /nfs/dbraw/zinc/25/94/95/974259495.db2.gz UEGFJLHBEVNGRK-OLZOCXBDSA-N 2 0 287.423 1.513 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCF ZINC001499891275 974325998 /nfs/dbraw/zinc/32/59/98/974325998.db2.gz BHYDGPCOLMRHSU-KBPBESRZSA-N 2 0 285.407 1.409 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]C/C=C/Cl ZINC001499955557 974342675 /nfs/dbraw/zinc/34/26/75/974342675.db2.gz UELJXQCMJFNBKB-IYNGYCSASA-N 2 0 287.835 1.660 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]CCF)C1CCCC1 ZINC001500097350 974373024 /nfs/dbraw/zinc/37/30/24/974373024.db2.gz SZLXHRGQQWMYDD-HUUCEWRRSA-N 2 0 299.434 1.705 10 0 CDAERP CC[C@H](C[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CCCC2)C1)OC ZINC001375856577 974497490 /nfs/dbraw/zinc/49/74/90/974497490.db2.gz URHSVGWPPRLNSO-ZBFHGGJFSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@](C)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001375954596 974523613 /nfs/dbraw/zinc/52/36/13/974523613.db2.gz CHFILRICAWJGCD-WBVHZDCISA-N 2 0 295.471 1.955 10 0 CDAERP CC[NH+]1CCC2(CN(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001501742004 974633199 /nfs/dbraw/zinc/63/31/99/974633199.db2.gz LOHKTVUCBSXSLA-UHFFFAOYSA-N 2 0 267.417 1.273 10 0 CDAERP CO[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001376386868 974649047 /nfs/dbraw/zinc/64/90/47/974649047.db2.gz BIFFQDYCWAVYSP-MGPQQGTHSA-N 2 0 297.443 1.133 10 0 CDAERP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@H](C)[NH2+]C/C=C\Cl ZINC001505621278 974940657 /nfs/dbraw/zinc/94/06/57/974940657.db2.gz FOWFGQJTNQLUFZ-NYMIHGAESA-N 2 0 287.835 1.706 10 0 CDAERP CC(C)[NH2+][C@@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001505686989 974962732 /nfs/dbraw/zinc/96/27/32/974962732.db2.gz XMVOHIKDEWTKBJ-RYUDHWBXSA-N 2 0 255.406 1.219 10 0 CDAERP C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH+](C)CCCF ZINC001505937548 975051219 /nfs/dbraw/zinc/05/12/19/975051219.db2.gz HIDCBQPFHIPXQK-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP C[N@H+](CCC1CC1)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001377625646 975091464 /nfs/dbraw/zinc/09/14/64/975091464.db2.gz NDPQMNOMKJACKQ-CVEARBPZSA-N 2 0 293.455 1.804 10 0 CDAERP O=C(C[NH+]1CCCC1)NCC1C[NH+](CC2CCCC2)C1 ZINC001378029817 975212193 /nfs/dbraw/zinc/21/21/93/975212193.db2.gz YSLYSLPMPAMANO-UHFFFAOYSA-N 2 0 279.428 1.320 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CCCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001506867955 975238967 /nfs/dbraw/zinc/23/89/67/975238967.db2.gz ZSAIRRICAPLGNV-CQSZACIVSA-N 2 0 299.434 1.611 10 0 CDAERP CC[NH2+]CCC[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001506950048 975269604 /nfs/dbraw/zinc/26/96/04/975269604.db2.gz CPBNPJAMMHNRBE-AWEZNQCLSA-N 2 0 269.433 1.757 10 0 CDAERP CCCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001507155697 975357694 /nfs/dbraw/zinc/35/76/94/975357694.db2.gz SUNWDXKNVSTTPX-STQMWFEESA-N 2 0 255.406 1.175 10 0 CDAERP CC[C@@H](C)C[NH+]1CC([C@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001378525031 975377343 /nfs/dbraw/zinc/37/73/43/975377343.db2.gz BJXDIDGHYMOLHJ-KGLIPLIRSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)C[NH+]1CC([C@@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001378537546 975382205 /nfs/dbraw/zinc/38/22/05/975382205.db2.gz IPJYWHRYIMTZFA-UONOGXRCSA-N 2 0 281.444 1.421 10 0 CDAERP CCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001404585115 975426932 /nfs/dbraw/zinc/42/69/32/975426932.db2.gz HYRGPDJORAFBRB-HUUCEWRRSA-N 2 0 281.444 1.519 10 0 CDAERP Cc1ccncc1C[NH2+]C[C@H](C)CNC(=O)CC[NH+](C)C ZINC001401124850 975475503 /nfs/dbraw/zinc/47/55/03/975475503.db2.gz IEQFODBXVNDVMV-ZDUSSCGKSA-N 2 0 292.427 1.184 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001378781190 975490344 /nfs/dbraw/zinc/49/03/44/975490344.db2.gz KAEKCZCEXSHPDC-RRFJBIMHSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccns1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001378856427 975517692 /nfs/dbraw/zinc/51/76/92/975517692.db2.gz VCCJTPBONAQQNP-NWDGAFQWSA-N 2 0 296.440 1.031 10 0 CDAERP CCC[N@H+](C)CC(=O)N(CC[NH+](C)C(C)C)C(C)C ZINC001507862964 975554558 /nfs/dbraw/zinc/55/45/58/975554558.db2.gz CSIYVHUNOIBNDY-UHFFFAOYSA-N 2 0 271.449 1.905 10 0 CDAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1nccs1 ZINC001397470883 975599720 /nfs/dbraw/zinc/59/97/20/975599720.db2.gz RARBTAVEAZGFSZ-VXGBXAGGSA-N 2 0 296.440 1.031 10 0 CDAERP CC(C)[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CC1 ZINC001401390661 975640068 /nfs/dbraw/zinc/64/00/68/975640068.db2.gz WLTYWFJNKPTQNY-GJZGRUSLSA-N 2 0 281.444 1.469 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]C/C=C\Cl)C1 ZINC001397679810 975677271 /nfs/dbraw/zinc/67/72/71/975677271.db2.gz RBHIOHOLLURLLW-LSTVRDIWSA-N 2 0 273.808 1.175 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1CCCC[C@H]1C[NH+](C)CCO ZINC001397802629 975722994 /nfs/dbraw/zinc/72/29/94/975722994.db2.gz CMCNESRTKIONNZ-HNNXBMFYSA-N 2 0 299.459 1.024 10 0 CDAERP CCCC[N@@H+]1CC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001389466019 975850005 /nfs/dbraw/zinc/85/00/05/975850005.db2.gz ZGNBOCLEILCACA-HUUCEWRRSA-N 2 0 281.444 1.851 10 0 CDAERP C[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCC(C)(C)C)C2)CC1 ZINC001389797091 975992431 /nfs/dbraw/zinc/99/24/31/975992431.db2.gz KYCLHBOGENEMJE-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001398557282 976039733 /nfs/dbraw/zinc/03/97/33/976039733.db2.gz SGOWYLKVXWANCN-QEJZJMRPSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@H](C[N@H+](C)Cc1cccc(F)c1)NC(=O)CC[NH+](C)C ZINC001379745790 976049933 /nfs/dbraw/zinc/04/99/33/976049933.db2.gz UFYXGSFLMCTUBF-CYBMUJFWSA-N 2 0 295.402 1.714 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@H]1CCCC[N@@H+]1CC1CCC1 ZINC001398779395 976145442 /nfs/dbraw/zinc/14/54/42/976145442.db2.gz YFXMOIZNLBCXIS-MRXNPFEDSA-N 2 0 293.455 1.853 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NC[C@@H]([NH2+]CC2CC2)C2CC2)CC[N@@H+]1C ZINC001402341967 976241693 /nfs/dbraw/zinc/24/16/93/976241693.db2.gz SFKYPVKMGZZYNK-VBNZEHGJSA-N 2 0 293.455 1.611 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1([NH2+]CC2CC2)CC1 ZINC001380102697 976247118 /nfs/dbraw/zinc/24/71/18/976247118.db2.gz MCXFGKBWNSYIDP-AWEZNQCLSA-N 2 0 279.428 1.509 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)C(C)C ZINC001406600337 976290687 /nfs/dbraw/zinc/29/06/87/976290687.db2.gz HZKVEKMXVWPFBN-LSDHHAIUSA-N 2 0 283.460 1.952 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001402461427 976292394 /nfs/dbraw/zinc/29/23/94/976292394.db2.gz CCCLLUVEQYCCHB-CABCVRRESA-N 2 0 299.434 1.801 10 0 CDAERP CC[C@H](C)C[N@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001406641552 976323777 /nfs/dbraw/zinc/32/37/77/976323777.db2.gz XTJMQYCHYROAHU-UONOGXRCSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)CC[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001406661042 976345398 /nfs/dbraw/zinc/34/53/98/976345398.db2.gz GEUVNPKBKIBUPG-HUUCEWRRSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@@H](F)CC[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001406713934 976378751 /nfs/dbraw/zinc/37/87/51/976378751.db2.gz YXQGUJNVMLDPGG-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP Cc1nc(C[NH2+][C@H](C)CCNC(=O)CC[NH+](C)C)cs1 ZINC001399378619 976463441 /nfs/dbraw/zinc/46/34/41/976463441.db2.gz UPDMKUZWXMXJQB-LLVKDONJSA-N 2 0 298.456 1.388 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001380687976 976518669 /nfs/dbraw/zinc/51/86/69/976518669.db2.gz ISKZNOUREMZLEJ-GJZGRUSLSA-N 2 0 293.455 1.422 10 0 CDAERP C[C@@H](CCNC(=O)CC[NH+](C)C)[NH2+]Cc1nccs1 ZINC001402849924 976533177 /nfs/dbraw/zinc/53/31/77/976533177.db2.gz VBLBINZQTRNUPG-NSHDSACASA-N 2 0 284.429 1.079 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)CC1CCC1 ZINC001390826718 976545326 /nfs/dbraw/zinc/54/53/26/976545326.db2.gz RBONKQXXEKZASF-JKSUJKDBSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC1CC(C)(C)C1 ZINC001402886522 976565339 /nfs/dbraw/zinc/56/53/39/976565339.db2.gz IKQBADUTWICXEU-GZBFAFLISA-N 2 0 295.471 1.857 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC1CCCC1 ZINC001402897295 976571724 /nfs/dbraw/zinc/57/17/24/976571724.db2.gz WQNBGTYKGCYXAX-UMVBOHGHSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+]CC[C@H](C)F ZINC001402927988 976594545 /nfs/dbraw/zinc/59/45/45/976594545.db2.gz LFCKLEATUKZASR-QWHCGFSZSA-N 2 0 285.407 1.457 10 0 CDAERP C[C@@H](O)CCC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001380936215 976611669 /nfs/dbraw/zinc/61/16/69/976611669.db2.gz WAOVEITUFQWVSD-CABCVRRESA-N 2 0 299.459 1.070 10 0 CDAERP CC(C)[NH2+]C[C@@]1(C)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001407233804 976613208 /nfs/dbraw/zinc/61/32/08/976613208.db2.gz JLAJVAFPRPKKBZ-GDBMZVCRSA-N 2 0 281.444 1.565 10 0 CDAERP CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001407245278 976614534 /nfs/dbraw/zinc/61/45/34/976614534.db2.gz VCGYJBZAVXWBEQ-HOCLYGCPSA-N 2 0 279.428 1.176 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC[N@@H+](C)CC2CCC2)C1 ZINC001399648213 976620789 /nfs/dbraw/zinc/62/07/89/976620789.db2.gz XFRZEZKPAFWQLP-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@H+](CCNC(=O)C[NH+](C)C(C)C)C[C@H]1CCCCO1 ZINC001391019633 976649565 /nfs/dbraw/zinc/64/95/65/976649565.db2.gz ITQBKAJQQJRWCN-OAHLLOKOSA-N 2 0 299.459 1.334 10 0 CDAERP CCC[N@@H+]1Cc2ccc(CNC(=O)CC[NH+](C)C)cc2C1 ZINC001381064224 976657702 /nfs/dbraw/zinc/65/77/02/976657702.db2.gz AJPWTZRZJUPHDP-UHFFFAOYSA-N 2 0 289.423 1.980 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CCC[NH+]1CC1CC1 ZINC001391058871 976667671 /nfs/dbraw/zinc/66/76/71/976667671.db2.gz WOKBSRWAGLXWLO-HZPDHXFCSA-N 2 0 293.455 1.851 10 0 CDAERP CC[C@H](C(=O)NC[C@H]1CC[N@H+](CCF)C1)[NH+](CC)CC ZINC001391099236 976692246 /nfs/dbraw/zinc/69/22/46/976692246.db2.gz QXWAXXWDCDJLAR-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001399854827 976702462 /nfs/dbraw/zinc/70/24/62/976702462.db2.gz QQZSIAQKTUFSHG-HIFRSBDPSA-N 2 0 299.434 1.799 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1C[C@@H]1CCCCO1 ZINC001399871005 976712763 /nfs/dbraw/zinc/71/27/63/976712763.db2.gz SQSHRSWRYUUCKI-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]CCC(C)(C)C ZINC001403112388 976727900 /nfs/dbraw/zinc/72/79/00/976727900.db2.gz WFVBXKZAXTWFRM-CYBMUJFWSA-N 2 0 271.449 1.859 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001399895984 976729271 /nfs/dbraw/zinc/72/92/71/976729271.db2.gz KUPYIZNNJXOXSP-HUUCEWRRSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)C[NH2+]CC1CC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001381322656 976759517 /nfs/dbraw/zinc/75/95/17/976759517.db2.gz CEZJVPONMZQUJM-AVVWSFFYSA-N 2 0 293.455 1.469 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[N@H+](C)Cc1ccsc1 ZINC001403163272 976775383 /nfs/dbraw/zinc/77/53/83/976775383.db2.gz HEOBRQQZYWKVPI-LBPRGKRZSA-N 2 0 283.441 1.636 10 0 CDAERP CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](C[C@@H](C)OC)C1 ZINC001400132700 976876518 /nfs/dbraw/zinc/87/65/18/976876518.db2.gz DENOQKZCXXPFOA-HUUCEWRRSA-N 2 0 299.459 1.286 10 0 CDAERP CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001403414330 976936552 /nfs/dbraw/zinc/93/65/52/976936552.db2.gz TYCFVRWOVIVRSH-ZFWWWQNUSA-N 2 0 281.444 1.898 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCCF)[C@H](C)C1 ZINC001408177093 976953448 /nfs/dbraw/zinc/95/34/48/976953448.db2.gz MUFKPFBUXGHMLB-KGLIPLIRSA-N 2 0 287.423 1.655 10 0 CDAERP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]CC1CCCC1 ZINC001403464586 976969732 /nfs/dbraw/zinc/96/97/32/976969732.db2.gz HYJKZZYUCHJVJK-CQSZACIVSA-N 2 0 281.444 1.757 10 0 CDAERP CCc1nccn1[C@@H](C)CC(=O)NCC1CN(CCF)C1 ZINC001400485964 977053709 /nfs/dbraw/zinc/05/37/09/977053709.db2.gz JUYHTPRRGQQIES-LBPRGKRZSA-N 2 0 296.390 1.414 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1CC[N@H+](CC[C@@H]2CCCO2)C1)[NH+](C)C ZINC001400659817 977129379 /nfs/dbraw/zinc/12/93/79/977129379.db2.gz BUOMDXWLYFXLKQ-QLFBSQMISA-N 2 0 297.443 1.086 10 0 CDAERP CC[C@@H](C(=O)N[C@]12CCC[C@@H]1[N@H+](CCOC)CC2)[NH+](C)C ZINC001382325904 977253935 /nfs/dbraw/zinc/25/39/35/977253935.db2.gz CSPJCBGHWRIVOE-DZKIICNBSA-N 2 0 297.443 1.086 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N[C@H](C[NH2+]CC2CC2)C(C)(C)C)C1 ZINC001382532944 977302072 /nfs/dbraw/zinc/30/20/72/977302072.db2.gz LTIPIXOJKNBXGV-DZGCQCFKSA-N 2 0 295.471 1.859 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H](C)C1CC[NH+](CC2CC2)CC1 ZINC001382564066 977308551 /nfs/dbraw/zinc/30/85/51/977308551.db2.gz ZMAFVJQCSMWHHS-CQSZACIVSA-N 2 0 295.471 1.955 10 0 CDAERP CN(CC[N@H+](C)CC1CC1)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001392318217 977407870 /nfs/dbraw/zinc/40/78/70/977407870.db2.gz HPYMJEQBOHTYLT-JKSUJKDBSA-N 2 0 295.471 1.907 10 0 CDAERP C[C@@H]([NH2+]CCN(C)C(=O)CC[NH+](C)C)c1cccc(F)c1 ZINC001404335850 977416687 /nfs/dbraw/zinc/41/66/87/977416687.db2.gz XJVQPSJKMFGYEE-CYBMUJFWSA-N 2 0 295.402 1.886 10 0 CDAERP C[C@H](C[N@H+](C)CC1CC1)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001392693834 977552115 /nfs/dbraw/zinc/55/21/15/977552115.db2.gz LWZPGYYLFXBEAS-IPYPFGDCSA-N 2 0 281.444 1.563 10 0 CDAERP CC[C@H](F)C[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001392910379 977648627 /nfs/dbraw/zinc/64/86/27/977648627.db2.gz AXJCYKIAKYTJOO-LBPRGKRZSA-N 2 0 285.407 1.457 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@](C)(C[NH2+]CC3CCC3)C2)C1 ZINC001393171537 977724225 /nfs/dbraw/zinc/72/42/25/977724225.db2.gz VKOAHTREYNGMMW-WBVHZDCISA-N 2 0 293.455 1.566 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CCC1 ZINC001393547448 977830990 /nfs/dbraw/zinc/83/09/90/977830990.db2.gz OAZFUKIMDHCGAB-ZIAGYGMSSA-N 2 0 299.434 1.847 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H]([NH2+]CCC(C)C)C1 ZINC001393744004 977905000 /nfs/dbraw/zinc/90/50/00/977905000.db2.gz DMQZLIOKFDANAR-CABCVRRESA-N 2 0 283.460 1.811 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H](C)[NH2+]CC1CCOCC1 ZINC001394006789 978003512 /nfs/dbraw/zinc/00/35/12/978003512.db2.gz YOADXLURCBADMP-ZIAGYGMSSA-N 2 0 299.459 1.238 10 0 CDAERP CC(C)CC[NH2+]C1CC(N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001394856717 978286162 /nfs/dbraw/zinc/28/61/62/978286162.db2.gz CCXSYQRSFLTNKY-UHFFFAOYSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001674172290 1173921619 /nfs/dbraw/zinc/92/16/19/1173921619.db2.gz UJEUHALGFIHNRI-KBPBESRZSA-N 2 0 267.417 1.531 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[NH+]1CCCC1 ZINC001676273953 1174198653 /nfs/dbraw/zinc/19/86/53/1174198653.db2.gz TYMUNDOHFMNUGD-MRXNPFEDSA-N 2 0 295.471 1.955 10 0 CDAERP CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CCO1 ZINC001570151493 1170096233 /nfs/dbraw/zinc/09/62/33/1170096233.db2.gz OADPGMKUAAADDR-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP COCCC[NH+]1CC([C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001570853680 1170299702 /nfs/dbraw/zinc/29/97/02/1170299702.db2.gz GZUNMRHUPCJGBV-DZGCQCFKSA-N 2 0 299.459 1.046 10 0 CDAERP CCC[NH+]1CC([C@H](C)NC(=O)CCCC[NH+](C)C)C1 ZINC001570859660 1170303294 /nfs/dbraw/zinc/30/32/94/1170303294.db2.gz BYNASTJHMBQUHE-ZDUSSCGKSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]CCF ZINC001571253506 1170355239 /nfs/dbraw/zinc/35/52/39/1170355239.db2.gz LOCDHPOQNRZHMD-KGLIPLIRSA-N 2 0 287.423 1.703 10 0 CDAERP COC[C@H](C)[NH2+]CCC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001571304393 1170362110 /nfs/dbraw/zinc/36/21/10/1170362110.db2.gz FVLMEXMZQPKFRP-KGLIPLIRSA-N 2 0 299.459 1.238 10 0 CDAERP CC[C@@H](F)C[N@H+]1CC=C(CNC(=O)CCC[NH+](C)C)CC1 ZINC001571693744 1170523616 /nfs/dbraw/zinc/52/36/16/1170523616.db2.gz KENSENDPECCGDD-OAHLLOKOSA-N 2 0 299.434 1.825 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@@H]1C[NH+](C)CC1(C)C ZINC001652492475 1171444538 /nfs/dbraw/zinc/44/45/38/1171444538.db2.gz YPRAZSUUJKVTEN-FRRDWIJNSA-N 2 0 267.417 1.316 10 0 CDAERP C[NH+](C)CCCC[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094635748 282084104 /nfs/dbraw/zinc/08/41/04/282084104.db2.gz IKLPFBAKNGOGKQ-OLZOCXBDSA-N 2 0 276.446 1.274 10 0 CDAERP CCC(CC)[NH2+]C[C@H](O)CO[C@@H]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000675080759 539085854 /nfs/dbraw/zinc/08/58/54/539085854.db2.gz VKPACULMDKNVFG-BVUBDWEXSA-N 2 0 284.444 1.673 10 0 CDAERP CC(C)[NH2+]C1CCN(C(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000601270674 342547809 /nfs/dbraw/zinc/54/78/09/342547809.db2.gz ZOSCFWRNSIEOMU-AWEZNQCLSA-N 2 0 282.432 1.253 10 0 CDAERP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]CCOCC(=O)OC(C)(C)C ZINC000601294155 342550057 /nfs/dbraw/zinc/55/00/57/342550057.db2.gz KXVFFLZZNGCDFE-JSGCOSHPSA-N 2 0 298.427 1.417 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000634142433 361769456 /nfs/dbraw/zinc/76/94/56/361769456.db2.gz FHPQKSAMPHDCMH-UONOGXRCSA-N 2 0 284.448 1.500 10 0 CDAERP C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)C1([NH3+])CCCCC1 ZINC000094447040 342063794 /nfs/dbraw/zinc/06/37/94/342063794.db2.gz WNWMYFCRKVXIJE-ZIAGYGMSSA-N 2 0 279.428 1.733 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)CN1CC(C)(C)C1 ZINC000617007211 342603814 /nfs/dbraw/zinc/60/38/14/342603814.db2.gz NTUNOCQUBSLRCK-GFCCVEGCSA-N 2 0 267.417 1.317 10 0 CDAERP [NH3+]CCN1CC[NH2+]C[C@H]1c1cnc2ccccc2c1 ZINC000616635285 342121066 /nfs/dbraw/zinc/12/10/66/342121066.db2.gz BVQCPBXXXDWPAW-HNNXBMFYSA-N 2 0 256.353 1.140 10 0 CDAERP CC[N@H+](CCSC)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000592204818 342677528 /nfs/dbraw/zinc/67/75/28/342677528.db2.gz TZGMYVBQQMEVET-UHFFFAOYSA-N 2 0 299.484 1.414 10 0 CDAERP COC(=O)C1CCC([NH2+]CCC2(C[NH3+])CC2)CC1 ZINC000593314876 342787671 /nfs/dbraw/zinc/78/76/71/342787671.db2.gz GYUZWWXYBCERCQ-UHFFFAOYSA-N 2 0 254.374 1.437 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)CC(=O)Nc1ccccc1C ZINC000629392644 361909356 /nfs/dbraw/zinc/90/93/56/361909356.db2.gz QXMIGEBVWBGVPT-CQSZACIVSA-N 2 0 293.411 1.538 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000629405874 361943955 /nfs/dbraw/zinc/94/39/55/361943955.db2.gz WJPWRKYAWIRXHU-NVXWUHKLSA-N 2 0 291.439 1.475 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629416657 361975464 /nfs/dbraw/zinc/97/54/64/361975464.db2.gz TUFJJXRYESIMCV-IUODEOHRSA-N 2 0 285.395 1.806 10 0 CDAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCOCc3ccccc3)C[C@@H]12 ZINC000309761319 539079643 /nfs/dbraw/zinc/07/96/43/539079643.db2.gz DQLUJEQPTYESQC-BZUAXINKSA-N 2 0 260.381 1.872 10 0 CDAERP CCOC(=O)CCCCC[N@@H+]1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000600882473 342254192 /nfs/dbraw/zinc/25/41/92/342254192.db2.gz DLSQQQMXIXGTIW-DZGCQCFKSA-N 2 0 286.416 1.548 10 0 CDAERP O=C([C@H]1C[C@H](F)C[NH2+]1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000188967192 342280442 /nfs/dbraw/zinc/28/04/42/342280442.db2.gz MHUBCQQSAHSHAE-VIRABCJISA-N 2 0 295.402 1.162 10 0 CDAERP Cc1cccc(NC(=O)C[NH+]2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000111611904 365689995 /nfs/dbraw/zinc/68/99/95/365689995.db2.gz IWNUFJVVHVKMLM-CYBMUJFWSA-N 2 0 275.396 1.993 10 0 CDAERP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000246809813 282186036 /nfs/dbraw/zinc/18/60/36/282186036.db2.gz BPPCHVQYSAKQHC-TUVASFSCSA-N 2 0 279.428 1.460 10 0 CDAERP C[C@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000076114573 342319089 /nfs/dbraw/zinc/31/90/89/342319089.db2.gz BMBFAWYTXUCLTM-LBPRGKRZSA-N 2 0 265.401 1.214 10 0 CDAERP CC(C)[C@H]([NH3+])CC[N@H+](C)CCOC1CCOCC1 ZINC000629511781 362122822 /nfs/dbraw/zinc/12/28/22/362122822.db2.gz AOCUGZLGRQUKBH-CQSZACIVSA-N 2 0 258.406 1.487 10 0 CDAERP c1ccc2c(c1)CO[C@H](C[NH2+][C@H]1CCC[NH2+]CC1)C2 ZINC000629513925 362128287 /nfs/dbraw/zinc/12/82/87/362128287.db2.gz NISPWPXQQWVDBJ-HOTGVXAUSA-N 2 0 260.381 1.860 10 0 CDAERP COC(=O)CC[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595901489 343187190 /nfs/dbraw/zinc/18/71/90/343187190.db2.gz WZQJYVBAZPIALA-CYBMUJFWSA-N 2 0 254.374 1.261 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000629530081 362161210 /nfs/dbraw/zinc/16/12/10/362161210.db2.gz UVPULSOPEVLRDZ-AWEZNQCLSA-N 2 0 270.323 1.778 10 0 CDAERP C(C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)OC1CCOCC1 ZINC000629534008 362172418 /nfs/dbraw/zinc/17/24/18/362172418.db2.gz IBSOXHMJXZBFDE-GOEBONIOSA-N 2 0 282.428 1.646 10 0 CDAERP COC(=O)CCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250300022 349831726 /nfs/dbraw/zinc/83/17/26/349831726.db2.gz BGMSZZIKFFIXFL-CHWSQXEVSA-N 2 0 254.374 1.404 10 0 CDAERP CS[C@H](CO)[C@H](C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000598966707 343931021 /nfs/dbraw/zinc/93/10/21/343931021.db2.gz ZBLZEFMEIOMUDM-SDDRHHMPSA-N 2 0 260.447 1.561 10 0 CDAERP C[C@@H](C(=O)N1CCC[C@@H]1C[NH+](C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000411914195 362296837 /nfs/dbraw/zinc/29/68/37/362296837.db2.gz SUMGAVNVBHGEJK-LJISPDSOSA-N 2 0 281.444 1.800 10 0 CDAERP CC[N@@H+]1CCN(c2nc(N)[nH+]c3c2CCCC3)C[C@@H]1C ZINC000645198673 362281882 /nfs/dbraw/zinc/28/18/82/362281882.db2.gz RNVZYLBJMBEBJZ-NSHDSACASA-N 2 0 275.400 1.298 10 0 CDAERP CCNC(=O)C(C)(C)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623468987 347050082 /nfs/dbraw/zinc/05/00/82/347050082.db2.gz MESFDIUCRFDVFK-LBPRGKRZSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000623066036 344384700 /nfs/dbraw/zinc/38/47/00/344384700.db2.gz XZIHMXWRPDILLF-DOMZBBRYSA-N 2 0 290.411 1.868 10 0 CDAERP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000262674845 344697376 /nfs/dbraw/zinc/69/73/76/344697376.db2.gz RGIAUASQKWUEPY-IHRRRGAJSA-N 2 0 267.417 1.304 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000618561225 344998846 /nfs/dbraw/zinc/99/88/46/344998846.db2.gz VNOLTACCJVVQPB-CABCVRRESA-N 2 0 294.443 1.350 10 0 CDAERP C[NH+]1CCC(CNC(=O)CC2([NH3+])CCCCC2)CC1 ZINC000084185370 178819374 /nfs/dbraw/zinc/81/93/74/178819374.db2.gz KDDQXLVMGAZXNA-UHFFFAOYSA-N 2 0 267.417 1.496 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC000617343514 345175230 /nfs/dbraw/zinc/17/52/30/345175230.db2.gz VKUYXNXAJBDZLE-QWHCGFSZSA-N 2 0 267.417 1.317 10 0 CDAERP CN(C)[C@H](CC[NH2+]C1CCN(C)CC1)C(F)(F)F ZINC000922752387 787866483 /nfs/dbraw/zinc/86/64/83/787866483.db2.gz DUYOPAAIAFUCDC-LLVKDONJSA-N 2 0 267.339 1.553 10 0 CDAERP COCC[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623410342 346249010 /nfs/dbraw/zinc/24/90/10/346249010.db2.gz LLYXFUDFZJTEGZ-KGLIPLIRSA-N 2 0 269.433 1.170 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCCC[C@@H]1[NH3+])C[NH+]1CCCCC1 ZINC000085369673 179039693 /nfs/dbraw/zinc/03/96/93/179039693.db2.gz TZESFPYFUHDCCO-ILXRZTDVSA-N 2 0 281.444 1.742 10 0 CDAERP CC1(C)CC(NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])CC(C)(C)[NH2+]1 ZINC000085370876 179041163 /nfs/dbraw/zinc/04/11/63/179041163.db2.gz DWYZMDGODWPZKK-OLZOCXBDSA-N 2 0 281.444 1.929 10 0 CDAERP CCNC(=O)CC[N@@H+]1CCCCC[C@H]1C1CC[NH2+]CC1 ZINC000085403763 179053087 /nfs/dbraw/zinc/05/30/87/179053087.db2.gz NTZZHWMNFFJIOZ-HNNXBMFYSA-N 2 0 281.444 1.757 10 0 CDAERP Cc1nc2c(n1C[C@@H](C)C[NH+]1CCCC1)CC[NH2+]C2 ZINC000085572211 179097541 /nfs/dbraw/zinc/09/75/41/179097541.db2.gz VCFNVNLRJYAESC-LBPRGKRZSA-N 2 0 262.401 1.569 10 0 CDAERP C[NH+](C)CC(C)(C)Cn1c2c(nc1C1CC1)C[NH2+]CC2 ZINC000085568340 179095252 /nfs/dbraw/zinc/09/52/52/179095252.db2.gz DSHOZHLLVXWYCH-UHFFFAOYSA-N 2 0 276.428 1.994 10 0 CDAERP CC[C@]1(C)C[N@H+](CCCn2ccnc2)CCC[NH2+]1 ZINC000085616719 179104316 /nfs/dbraw/zinc/10/43/16/179104316.db2.gz JAKJICWFIDLOHF-CQSZACIVSA-N 2 0 250.390 1.737 10 0 CDAERP COCCC[N@H+](C)CCN[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000623430689 346619688 /nfs/dbraw/zinc/61/96/88/346619688.db2.gz AXWXNXHZXODUSS-CQSZACIVSA-N 2 0 271.449 1.417 10 0 CDAERP Cn1nc2c(c1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)CCCC2 ZINC000631170266 362804962 /nfs/dbraw/zinc/80/49/62/362804962.db2.gz ZYWAUTMTOFOYTJ-BETUJISGSA-N 2 0 276.428 1.729 10 0 CDAERP CCC1(CC)CN([C@@H]2C[NH+]3CCC2CC3)CC[NH2+]1 ZINC000086124898 179235575 /nfs/dbraw/zinc/23/55/75/179235575.db2.gz YNIVJUNSDMJTFJ-CQSZACIVSA-N 2 0 251.418 1.545 10 0 CDAERP CC[C@H]1C[NH2+][C@](C)(C2CC2)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086223925 179253587 /nfs/dbraw/zinc/25/35/87/179253587.db2.gz QBMMCRQILZWLSM-XHSDSOJGSA-N 2 0 265.445 1.933 10 0 CDAERP CC[C@@H]1C[NH2+][C@@](C)(CC)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086182613 179247546 /nfs/dbraw/zinc/24/75/46/179247546.db2.gz ZNGHGLNDWWUJCW-OAGGEKHMSA-N 2 0 265.445 1.933 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+][C@@H](CCO)C2CCOCC2)CC1(C)C ZINC000623492863 347603048 /nfs/dbraw/zinc/60/30/48/347603048.db2.gz MMBGOSWOYCQMJR-CABCVRRESA-N 2 0 284.444 1.626 10 0 CDAERP C[C@@H]1CCC[C@]1(O)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623534081 347620203 /nfs/dbraw/zinc/62/02/03/347620203.db2.gz WPYXCUNABKFOKX-NFAWXSAZSA-N 2 0 254.418 2.000 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623562769 347634277 /nfs/dbraw/zinc/63/42/77/347634277.db2.gz BVXWLCMNADHNJU-HOTGVXAUSA-N 3 0 298.519 1.721 10 0 CDAERP COC(=O)C1CC[NH+](Cc2ccccc2C[NH3+])CC1 ZINC000103928620 185863186 /nfs/dbraw/zinc/86/31/86/185863186.db2.gz NIAGOPBPNGTYOR-UHFFFAOYSA-N 2 0 262.353 1.530 10 0 CDAERP C/C=C\CNC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000623639164 348721979 /nfs/dbraw/zinc/72/19/79/348721979.db2.gz CFMGMITWMVNLLC-DHCBQETCSA-N 2 0 280.416 1.030 10 0 CDAERP Cc1nc(C)c(C[NH2+]CCCN2CC[NH+](C)CC2)o1 ZINC000628232877 362962523 /nfs/dbraw/zinc/96/25/23/362962523.db2.gz RXMIXDQTCKRWOJ-UHFFFAOYSA-N 2 0 266.389 1.019 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+]C[C@]2(C)CCCS2)CC1 ZINC000628232983 362963251 /nfs/dbraw/zinc/96/32/51/362963251.db2.gz XPDHAMZHMDLENZ-HNNXBMFYSA-N 2 0 285.501 1.889 10 0 CDAERP Cc1noc([C@@H]2OCC[C@@H]2[NH2+][C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000629545768 362970168 /nfs/dbraw/zinc/97/01/68/362970168.db2.gz PJGLAUKMMARBJL-WHOHXGKFSA-N 2 0 266.345 1.068 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000629545763 362970412 /nfs/dbraw/zinc/97/04/12/362970412.db2.gz QYEFWKGEHSOGJW-REWJHTLYSA-N 2 0 262.401 1.786 10 0 CDAERP CN1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000629550247 362983059 /nfs/dbraw/zinc/98/30/59/362983059.db2.gz KKSZOYQVQYTHOI-ZJIFWQFVSA-N 2 0 265.445 1.981 10 0 CDAERP CC1(C)OCC[C@H]1[NH2+]CCC[NH2+][C@@H]1CCOC1(C)C ZINC000451241581 363004829 /nfs/dbraw/zinc/00/48/29/363004829.db2.gz JRBSRAFWIKPMSS-CHWSQXEVSA-N 2 0 270.417 1.691 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)[C@@H]2CCCCO2)CC1 ZINC000623862998 351307637 /nfs/dbraw/zinc/30/76/37/351307637.db2.gz HGSNRFGVINVJSR-OAGGEKHMSA-N 2 0 283.460 1.560 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000569739823 363020195 /nfs/dbraw/zinc/02/01/95/363020195.db2.gz JVUOYUXSDMNGAH-QLFBSQMISA-N 2 0 279.428 1.271 10 0 CDAERP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H]1CCCCO1 ZINC000623893449 351321737 /nfs/dbraw/zinc/32/17/37/351321737.db2.gz QTFPWZGTKUNPFN-ZOBUZTSGSA-N 2 0 295.471 1.702 10 0 CDAERP COCC[N@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@@H]1CCOC1 ZINC000414743694 366055248 /nfs/dbraw/zinc/05/52/48/366055248.db2.gz HOITTZAKUNIYKM-BFHYXJOUSA-N 2 0 256.390 1.112 10 0 CDAERP Cc1cnccc1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000629648387 363247841 /nfs/dbraw/zinc/24/78/41/363247841.db2.gz MCTQKLJZGSXPSW-UHFFFAOYSA-N 2 0 288.439 1.696 10 0 CDAERP [NH3+]C[C@H]1CN(CC2(C[NH3+])CC2)CC[C@@H]1C(F)(F)F ZINC000629652833 363251583 /nfs/dbraw/zinc/25/15/83/363251583.db2.gz BKTDKYNAHFLJSB-UWVGGRQHSA-N 2 0 265.323 1.184 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1cccc2cnccc21 ZINC000629652685 363251753 /nfs/dbraw/zinc/25/17/53/363251753.db2.gz CHDYDUYKAFNUSA-UHFFFAOYSA-N 2 0 273.380 1.903 10 0 CDAERP [NH3+]C[C@@H]1CN(CC2(C[NH3+])CC2)CC[C@@H]1C(F)(F)F ZINC000629652837 363252013 /nfs/dbraw/zinc/25/20/13/363252013.db2.gz BKTDKYNAHFLJSB-ZJUUUORDSA-N 2 0 265.323 1.184 10 0 CDAERP COCCCn1nccc1CN[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000629660293 363265521 /nfs/dbraw/zinc/26/55/21/363265521.db2.gz REXDUBHDXVAMGK-QWHCGFSZSA-N 2 0 266.389 1.150 10 0 CDAERP C[NH+](C)CC(=O)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000065288726 538227635 /nfs/dbraw/zinc/22/76/35/538227635.db2.gz QWFZASBRHDZRHR-AWEZNQCLSA-N 2 0 267.417 1.415 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cnc(C)o1 ZINC000628278111 363364554 /nfs/dbraw/zinc/36/45/54/363364554.db2.gz ABKBHAWVGNRFTG-OAHLLOKOSA-N 2 0 294.443 1.831 10 0 CDAERP C[NH+](C)CCN(C(=O)CC[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC000356294377 366223752 /nfs/dbraw/zinc/22/37/52/366223752.db2.gz SJQGRZNDIRXDLX-AWEZNQCLSA-N 2 0 281.444 1.804 10 0 CDAERP CC(C)OCC[C@@H](O)C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000644606516 366237423 /nfs/dbraw/zinc/23/74/23/366237423.db2.gz KUPRSCPKMWBESK-UYSNPLJNSA-N 2 0 286.460 1.872 10 0 CDAERP C[NH+](C)CC1CCN(C(=O)[C@]23CCC[C@H]2C[NH2+]C3)CC1 ZINC000634765298 358498046 /nfs/dbraw/zinc/49/80/46/358498046.db2.gz OTMBQQWUFRAHTI-HOCLYGCPSA-N 2 0 279.428 1.176 10 0 CDAERP C[N@@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH2+]C2)[C@H]1c1ccccc1 ZINC000333652268 283127345 /nfs/dbraw/zinc/12/73/45/283127345.db2.gz VZOUWMOXBOBLDE-SOUVJXGZSA-N 2 0 288.395 1.093 10 0 CDAERP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634766144 358503372 /nfs/dbraw/zinc/50/33/72/358503372.db2.gz SPVZJGAYDFCROE-NHIYQJMISA-N 2 0 277.412 1.119 10 0 CDAERP C[C@@H](O)C[N@H+](C)C1CCC(C)([NH+]2CCOCC2)CC1 ZINC000725262979 538455066 /nfs/dbraw/zinc/45/50/66/538455066.db2.gz ZGXRXDWUTSYSIB-WLYUNCDWSA-N 2 0 270.417 1.333 10 0 CDAERP CCC[NH+]1CCC([NH2+]C[C@@H](O)C[C@](C)(O)C2CC2)CC1 ZINC000634638915 356618071 /nfs/dbraw/zinc/61/80/71/356618071.db2.gz YMKKAYHRAFJKOY-HOTGVXAUSA-N 2 0 284.444 1.362 10 0 CDAERP CCC[NH+]1CCC([NH2+]C[C@H](O)C[C@@](C)(O)C2CC2)CC1 ZINC000634638916 356618503 /nfs/dbraw/zinc/61/85/03/356618503.db2.gz YMKKAYHRAFJKOY-HZPDHXFCSA-N 2 0 284.444 1.362 10 0 CDAERP C[NH+](C)CC1CCC([NH2+]C[C@H](O)C[C@](C)(O)C2CC2)CC1 ZINC000634710525 357404938 /nfs/dbraw/zinc/40/49/38/357404938.db2.gz ZZJSBLCFUSUSCL-BNICSPFPSA-N 2 0 298.471 1.608 10 0 CDAERP COCCCC[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001660592566 1172239194 /nfs/dbraw/zinc/23/91/94/1172239194.db2.gz XXVGTOVRLVQXIG-UHFFFAOYSA-N 2 0 284.444 1.726 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000634744040 358192480 /nfs/dbraw/zinc/19/24/80/358192480.db2.gz MASZOYPBXBZZHE-CALCHBBNSA-N 2 0 293.455 1.565 10 0 CDAERP C[C@H](CC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[C@H]1CCC[NH2+]C1 ZINC000634750322 358235478 /nfs/dbraw/zinc/23/54/78/358235478.db2.gz TZYCKVYFSBJIFZ-WTTBNOFXSA-N 2 0 293.455 1.470 10 0 CDAERP CCC[NH2+][C@@H](C)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634761805 358430991 /nfs/dbraw/zinc/43/09/91/358430991.db2.gz JPQOGIPMFUFMSC-RYUDHWBXSA-N 2 0 255.406 1.269 10 0 CDAERP C[NH2+][C@H](C)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000054075580 358700974 /nfs/dbraw/zinc/70/09/74/358700974.db2.gz WPPPNAYJNBGLCX-GFCCVEGCSA-N 2 0 253.390 1.071 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(C(=O)c2ccccc2CC[NH3+])C1 ZINC000070553066 358969216 /nfs/dbraw/zinc/96/92/16/358969216.db2.gz NXRLSJYTSGXAPO-HNNXBMFYSA-N 2 0 289.423 1.744 10 0 CDAERP COC(=O)C(C)(C)CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261922828 359091134 /nfs/dbraw/zinc/09/11/34/359091134.db2.gz KQDVKHMSXOQHGN-FUNVUKJBSA-N 2 0 268.401 1.791 10 0 CDAERP COC(=O)[C@H]1CC12CC[NH+](C[C@]1(C)CC[NH2+]C1)CC2 ZINC000261952972 359102424 /nfs/dbraw/zinc/10/24/24/359102424.db2.gz GFYZOBBCKYOCMI-TZMCWYRMSA-N 2 0 266.385 1.261 10 0 CDAERP C[C@]1(C[N@@H+]2CCSC3(CCOCC3)C2)CC[NH2+]C1 ZINC000261980312 359112828 /nfs/dbraw/zinc/11/28/28/359112828.db2.gz JBXFXPOBGAFXGA-ZDUSSCGKSA-N 2 0 270.442 1.584 10 0 CDAERP C[C@H]1NC(=O)CC[C@@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000440940677 291183342 /nfs/dbraw/zinc/18/33/42/291183342.db2.gz IBOIBKLNIFGTCK-OLZOCXBDSA-N 2 0 253.390 1.119 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)[NH+](C)C ZINC000347889111 359650280 /nfs/dbraw/zinc/65/02/80/359650280.db2.gz JLAWKOSITCKTGS-KBPBESRZSA-N 2 0 267.417 1.268 10 0 CDAERP C[C@H](c1ccccc1Cl)N1CCN(C(=O)CC[NH3+])CC1 ZINC000237396148 359667325 /nfs/dbraw/zinc/66/73/25/359667325.db2.gz GISSEFXGCKPYIV-GFCCVEGCSA-N 2 0 295.814 1.894 10 0 CDAERP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCNC(=O)c1ccccc1 ZINC000422913176 359670627 /nfs/dbraw/zinc/67/06/27/359670627.db2.gz PECRVWBKVHNZJC-ZFWWWQNUSA-N 2 0 275.396 1.394 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)C(=O)NCc1ccccc1 ZINC000422925786 359678390 /nfs/dbraw/zinc/67/83/90/359678390.db2.gz BSQSBPKVOGYMFA-DZGCQCFKSA-N 2 0 293.411 1.035 10 0 CDAERP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cnccc1N ZINC000422982165 359697492 /nfs/dbraw/zinc/69/74/92/359697492.db2.gz VTMVRLAMYREBOE-KBPBESRZSA-N 2 0 292.427 1.382 10 0 CDAERP COc1ccc([C@H](NC[C@H]([NH3+])C2CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423320048 359765646 /nfs/dbraw/zinc/76/56/46/359765646.db2.gz MAJPZCUSUKHODY-BBWFWOEESA-N 2 0 289.423 1.815 10 0 CDAERP [NH3+][C@H](C[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1)C1CC1 ZINC000423336052 359767167 /nfs/dbraw/zinc/76/71/67/359767167.db2.gz XSRYHZUTFVNSKE-LXTVHRRPSA-N 2 0 252.402 1.909 10 0 CDAERP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CC2(O)CCC2)C1 ZINC000336736175 359809338 /nfs/dbraw/zinc/80/93/38/359809338.db2.gz YDPJVPLGUMQHOD-CQSZACIVSA-N 2 0 252.402 1.565 10 0 CDAERP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2ccnn2)c1)[C@H](C)[NH3+] ZINC000423481976 359811669 /nfs/dbraw/zinc/81/16/69/359811669.db2.gz XBSYGKZPYDPSQI-TUAOUCFPSA-N 2 0 259.357 1.654 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H](O)CC1 ZINC000560629642 359899261 /nfs/dbraw/zinc/89/92/61/359899261.db2.gz PZJRBXFTJABWCA-MRXNPFEDSA-N 2 0 286.379 1.923 10 0 CDAERP CCn1cnnc1C1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000163308203 359903694 /nfs/dbraw/zinc/90/36/94/359903694.db2.gz CGLPYKKMDUSOAQ-OAHLLOKOSA-N 2 0 291.443 1.962 10 0 CDAERP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)CC2(O)CCC2)C1 ZINC000528399440 359931718 /nfs/dbraw/zinc/93/17/18/359931718.db2.gz YGQRNVLADPHWII-HOTGVXAUSA-N 2 0 296.455 1.316 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)CC2([NH3+])CCC2)CC[N@@H+]1C ZINC000237564390 359941216 /nfs/dbraw/zinc/94/12/16/359941216.db2.gz UMRJJWCVDVAISO-NEPJUHHUSA-N 2 0 253.390 1.199 10 0 CDAERP CCCC[C@@H](C[NH3+])NC(=O)C12CCC[NH+](CCC1)C2 ZINC000637866748 366644333 /nfs/dbraw/zinc/64/43/33/366644333.db2.gz PNWBVVLDPMMZFI-ZDUSSCGKSA-N 2 0 267.417 1.496 10 0 CDAERP C[C@@H](CN1CCOCC1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000091508693 360240817 /nfs/dbraw/zinc/24/08/17/360240817.db2.gz QZYLFUJMWIELAR-INIZCTEOSA-N 2 0 295.471 1.515 10 0 CDAERP CC(C)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1O ZINC000248009953 360306680 /nfs/dbraw/zinc/30/66/80/360306680.db2.gz QSGVTRQUQUQDSQ-HZPDHXFCSA-N 2 0 262.397 1.867 10 0 CDAERP C[N@@H+]1CC[C@H](NC[C@@H]2CCCC[NH2+]2)[C@@H]2CCC[C@@H]21 ZINC000643502713 360474015 /nfs/dbraw/zinc/47/40/15/360474015.db2.gz OPODIAUTAZXRBM-AJNGGQMLSA-N 2 0 251.418 1.591 10 0 CDAERP CC[NH+](CC)CCCNC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000626919023 360633909 /nfs/dbraw/zinc/63/39/09/360633909.db2.gz WLUKIOYGVOXKKQ-QWHCGFSZSA-N 2 0 270.421 1.158 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)NCC2([NH+](C)C)CCCCC2)C[NH2+]1 ZINC000626920179 360636707 /nfs/dbraw/zinc/63/67/07/360636707.db2.gz VKVRPLGLAZNFIO-ZIAGYGMSSA-N 2 0 296.459 1.691 10 0 CDAERP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H]1CCC[NH+]1C ZINC000113604314 360638201 /nfs/dbraw/zinc/63/82/01/360638201.db2.gz YQKRJPXMVGKTOW-GJZGRUSLSA-N 2 0 296.459 1.644 10 0 CDAERP COc1cc(CN2C[C@@H](C[NH3+])[C@H](C)C2)cc2c1OCO2 ZINC000634999878 360639646 /nfs/dbraw/zinc/63/96/46/360639646.db2.gz BLBVIFMNJPOYAF-ZYHUDNBSSA-N 2 0 278.352 1.451 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000261575678 360719156 /nfs/dbraw/zinc/71/91/56/360719156.db2.gz ZWNOCPLMXZAXKS-SYQHCUMBSA-N 2 0 265.401 1.118 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1C ZINC000349144129 360741318 /nfs/dbraw/zinc/74/13/18/360741318.db2.gz OAMCMRMXIJHXMG-QWHCGFSZSA-N 2 0 253.390 1.071 10 0 CDAERP C(CN1CC[N@@H+]2CCCC[C@@H]2C1)C1CC[NH2+]CC1 ZINC000227375281 360811510 /nfs/dbraw/zinc/81/15/10/360811510.db2.gz VETXVSJKAACGJW-OAHLLOKOSA-N 2 0 251.418 1.546 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC[NH2+]1 ZINC000335755570 360903810 /nfs/dbraw/zinc/90/38/10/360903810.db2.gz SYIIPVBAOOJLNO-AAEUAGOBSA-N 2 0 273.380 1.294 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000227794856 360938157 /nfs/dbraw/zinc/93/81/57/360938157.db2.gz OEGYPLJUCHMAOB-YNEHKIRRSA-N 2 0 253.390 1.057 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000227883982 360989238 /nfs/dbraw/zinc/98/92/38/360989238.db2.gz GUNGNXLROBHTFG-JHJVBQTASA-N 2 0 253.390 1.104 10 0 CDAERP C[C@@H]1CCC[C@H](C)N1C(=O)CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000582181701 361021264 /nfs/dbraw/zinc/02/12/64/361021264.db2.gz KRIIPVTZHHDKKG-UXLLHSPISA-N 2 0 293.455 1.851 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCCC[NH+](C)C1CC1 ZINC000457205468 363955377 /nfs/dbraw/zinc/95/53/77/363955377.db2.gz RAACWJUPVIPBTF-OAHLLOKOSA-N 2 0 281.444 1.851 10 0 CDAERP C[C@H](NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C1=CC[N@H+](C)CC1 ZINC000417993787 364118570 /nfs/dbraw/zinc/11/85/70/364118570.db2.gz OKUGIKNGVWOMQJ-AEGPPILISA-N 2 0 292.427 1.173 10 0 CDAERP [NH3+]CCCC(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000167778876 364360740 /nfs/dbraw/zinc/36/07/40/364360740.db2.gz XHFUKFRNFICMTD-CYBMUJFWSA-N 2 0 253.390 1.202 10 0 CDAERP C[NH2+]C1(CNC(=O)[C@@H]2CCn3cc(C)nc3C2)CCC1 ZINC000630003987 364403606 /nfs/dbraw/zinc/40/36/06/364403606.db2.gz WHXZRUBUFSQVLR-GFCCVEGCSA-N 2 0 276.384 1.012 10 0 CDAERP C[C@H]([NH3+])[C@@H]1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000582240504 364816820 /nfs/dbraw/zinc/81/68/20/364816820.db2.gz UAMGAROJMNKOAL-MJBXVCDLSA-N 2 0 267.417 1.447 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)[C@@H]2CCC[C@@H]21 ZINC000643349446 364846785 /nfs/dbraw/zinc/84/67/85/364846785.db2.gz LINNONPRDSZRFO-QXKUPLGCSA-N 2 0 293.455 1.741 10 0 CDAERP C[NH+]1CCN(CCC[NH2+][C@@H]2CCCC23CC3)CC1 ZINC000580216991 364930574 /nfs/dbraw/zinc/93/05/74/364930574.db2.gz OXJXHRFTJNZVNA-CQSZACIVSA-N 2 0 251.418 1.546 10 0 CDAERP COCC[C@@H](COC)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000353641130 365350479 /nfs/dbraw/zinc/35/04/79/365350479.db2.gz IHEZSMSOUMRCCY-AWEZNQCLSA-N 2 0 272.433 1.890 10 0 CDAERP CC(C)[C@H](CN[C@@H](C)[C@H]1CC[NH2+]C1)[NH+]1CCCC1 ZINC000400327045 366949562 /nfs/dbraw/zinc/94/95/62/366949562.db2.gz AQNGOIVSUKUHFW-KKUMJFAQSA-N 2 0 253.434 1.694 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000136460286 482918856 /nfs/dbraw/zinc/91/88/56/482918856.db2.gz OADOPKVMYPBOBC-UONOGXRCSA-N 2 0 267.417 1.447 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)C[NH2+]1 ZINC000626973185 367116046 /nfs/dbraw/zinc/11/60/46/367116046.db2.gz RKZCOURIRPJPBA-TUVASFSCSA-N 2 0 296.459 1.689 10 0 CDAERP C[C@H]1CN(C)C[C@@H]1[NH2+]CCOc1ccccc1F ZINC000358067634 367403983 /nfs/dbraw/zinc/40/39/83/367403983.db2.gz XTXPBSYMDHFTPV-AAEUAGOBSA-N 2 0 252.333 1.744 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000227794882 367428763 /nfs/dbraw/zinc/42/87/63/367428763.db2.gz QJZRCUGINOQHNB-BFHYXJOUSA-N 2 0 265.401 1.201 10 0 CDAERP C[C@@H]1CN(C)C[C@H]1[NH2+]CCNC(=O)c1ccccc1Cl ZINC000358140370 367464215 /nfs/dbraw/zinc/46/42/15/367464215.db2.gz MWEQSTYMKRFXDW-BXUZGUMPSA-N 2 0 295.814 1.610 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH2+]CCN2CC=C(C)CC2)[C@H](C)C1 ZINC000358214936 367516186 /nfs/dbraw/zinc/51/61/86/367516186.db2.gz BKBGIFFWLPIVOP-HZPDHXFCSA-N 2 0 265.445 1.958 10 0 CDAERP C[C@@H]([NH2+]Cc1ccc(-n2cncn2)cc1)[C@H]1CCC[NH2+]C1 ZINC000414849656 367584728 /nfs/dbraw/zinc/58/47/28/367584728.db2.gz HMRUNCXWSVYKAO-HIFRSBDPSA-N 2 0 285.395 1.745 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000627165864 367598662 /nfs/dbraw/zinc/59/86/62/367598662.db2.gz IYABYBKCHABNMU-SOUVJXGZSA-N 2 0 294.443 1.254 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000416834605 242175817 /nfs/dbraw/zinc/17/58/17/242175817.db2.gz YNOKDELRZWEZON-NEPJUHHUSA-N 2 0 270.421 1.286 10 0 CDAERP CC1CC[NH+](CCCNC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000416877298 242204708 /nfs/dbraw/zinc/20/47/08/242204708.db2.gz UHEJMNBZEXDOSN-HUUCEWRRSA-N 2 0 296.459 1.406 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000417009905 242266497 /nfs/dbraw/zinc/26/64/97/242266497.db2.gz OADBPFJJYSWBAR-MCIONIFRSA-N 2 0 284.448 1.486 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000417019894 242273217 /nfs/dbraw/zinc/27/32/17/242273217.db2.gz FBGFPXBEGMRMNA-KGLIPLIRSA-N 2 0 284.448 1.533 10 0 CDAERP C[C@H]1CC[C@@H](NC(=O)N(C)CC2([NH+](C)C)CCC2)C[NH2+]1 ZINC000627204737 367700110 /nfs/dbraw/zinc/70/01/10/367700110.db2.gz ZZPGBMNEFOHRHN-QWHCGFSZSA-N 2 0 282.432 1.253 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=O)NCC[C@H]2CCC[NH2+]C2)C1 ZINC000417244981 242377793 /nfs/dbraw/zinc/37/77/93/242377793.db2.gz XTUKXUMGFCUEEW-HUUCEWRRSA-N 2 0 296.459 1.407 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)C[NH2+]1 ZINC000627197680 367686209 /nfs/dbraw/zinc/68/62/09/367686209.db2.gz FFIBZONKSCNUCN-YIYPIFLZSA-N 2 0 282.432 1.251 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627198970 367689242 /nfs/dbraw/zinc/68/92/42/367689242.db2.gz ZSQXBIOXZNGHDH-KBPBESRZSA-N 2 0 296.459 1.643 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)NCC[N@@H+]2CCCC(C)(C)C2)C[NH2+]1 ZINC000627201919 367696470 /nfs/dbraw/zinc/69/64/70/367696470.db2.gz DPPJHMQJQRMWLG-KGLIPLIRSA-N 2 0 296.459 1.548 10 0 CDAERP CCN(CCC[NH+]1CCCC1)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627203709 367697531 /nfs/dbraw/zinc/69/75/31/367697531.db2.gz PLMAIAGRRBUIRB-GJZGRUSLSA-N 2 0 296.459 1.644 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCCNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638054168 367837223 /nfs/dbraw/zinc/83/72/23/367837223.db2.gz CVKYVSPFXUKWNO-GXTWGEPZSA-N 2 0 265.401 1.415 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)C2=CC[C@H]([NH3+])C2)CC1 ZINC000638074425 368067404 /nfs/dbraw/zinc/06/74/04/368067404.db2.gz AHEGNLDWUXQHGC-ZDUSSCGKSA-N 2 0 265.401 1.367 10 0 CDAERP C[N@H+](CCNC(=O)CCC1C[NH2+]C1)Cc1ccccc1 ZINC000638080527 368137929 /nfs/dbraw/zinc/13/79/29/368137929.db2.gz PGEZYNBZSCRKPJ-UHFFFAOYSA-N 2 0 275.396 1.234 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000360330179 368234560 /nfs/dbraw/zinc/23/45/60/368234560.db2.gz RTTJEUIMDQPZHY-DZGCQCFKSA-N 2 0 299.484 1.414 10 0 CDAERP C[NH+](C)[C@H]1CCCN(C(=O)NC[C@H]([NH3+])c2ccccc2)C1 ZINC000418406084 243037261 /nfs/dbraw/zinc/03/72/61/243037261.db2.gz BQUZEDMMBBOPHN-GJZGRUSLSA-N 2 0 290.411 1.422 10 0 CDAERP [NH3+]C[C@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)C1CC1 ZINC000418412696 243044083 /nfs/dbraw/zinc/04/40/83/243044083.db2.gz YBRNESHVICXHRC-HNNXBMFYSA-N 2 0 294.443 1.241 10 0 CDAERP C(C[C@H]1CCO1)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000638114130 368465400 /nfs/dbraw/zinc/46/54/00/368465400.db2.gz XRLDQDXIFPWNFG-CABCVRRESA-N 2 0 252.402 1.973 10 0 CDAERP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418569264 243223875 /nfs/dbraw/zinc/22/38/75/243223875.db2.gz HTXVMFNYFYUWQW-ZIAGYGMSSA-N 2 0 282.432 1.112 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)[C@@H](C)C1 ZINC000418628465 243294815 /nfs/dbraw/zinc/29/48/15/243294815.db2.gz VLMXFXBUUHLWQB-YJNKXOJESA-N 2 0 296.459 1.499 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000418693365 243347076 /nfs/dbraw/zinc/34/70/76/243347076.db2.gz GWPLGQSWKFBNBA-VXGBXAGGSA-N 2 0 270.421 1.273 10 0 CDAERP COC(=O)[C@H](C1CC1)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000541058557 368596677 /nfs/dbraw/zinc/59/66/77/368596677.db2.gz PXJLGTJIWWTVDT-HNNXBMFYSA-N 2 0 282.428 1.990 10 0 CDAERP CC[NH+](CC)CCCNC(=O)N(C)CCC[NH+](C)C ZINC000542715300 368810535 /nfs/dbraw/zinc/81/05/35/368810535.db2.gz BZKHNHNPKYSGTJ-UHFFFAOYSA-N 2 0 272.437 1.311 10 0 CDAERP C[NH2+]CCOCCN(C)c1cc[nH+]c2ccccc21 ZINC000630530707 369156267 /nfs/dbraw/zinc/15/62/67/369156267.db2.gz NJTYAUCRKJGRPX-UHFFFAOYSA-N 2 0 259.353 1.907 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C(C)C)C(C)C)CC[N@@H+]1C ZINC000630577313 369299353 /nfs/dbraw/zinc/29/93/53/369299353.db2.gz WYYZDZNGYFMKPS-LSDHHAIUSA-N 2 0 283.460 1.952 10 0 CDAERP COC(=O)[C@@H]1CSCC[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000415145393 284145610 /nfs/dbraw/zinc/14/56/10/284145610.db2.gz XBGKOKGJCRIVRD-AGIUHOORSA-N 2 0 286.441 1.213 10 0 CDAERP C[C@@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)[NH+]1CCC(C)CC1 ZINC000170834762 369698674 /nfs/dbraw/zinc/69/86/74/369698674.db2.gz LVDUMPIQALAIOD-GJZGRUSLSA-N 2 0 296.459 1.452 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC[N@@H+]1C ZINC000548090966 369749743 /nfs/dbraw/zinc/74/97/43/369749743.db2.gz UGVYQUQTTHYGAW-XQLPTFJDSA-N 2 0 281.444 1.706 10 0 CDAERP C[C@@H](N[C@@H](Cc1ccccc1)C[NH+](C)C)C1C[NH2+]C1 ZINC000422716100 296153942 /nfs/dbraw/zinc/15/39/42/296153942.db2.gz MWVINFSLHFTGKV-CJNGLKHVSA-N 2 0 261.413 1.357 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000418205739 370290145 /nfs/dbraw/zinc/29/01/45/370290145.db2.gz ZSRRFWCICDVROR-QJPTWQEYSA-N 2 0 258.410 1.142 10 0 CDAERP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000565001082 370322263 /nfs/dbraw/zinc/32/22/63/370322263.db2.gz LDQLYXYRBIHNEF-BFYDXBDKSA-N 2 0 285.391 1.071 10 0 CDAERP C[C@H](C[NH3+])N(C)C(=O)NCC1([NH3+])CCCCCC1 ZINC000418284488 370471569 /nfs/dbraw/zinc/47/15/69/370471569.db2.gz MWPLYXGMTBXNMZ-LLVKDONJSA-N 2 0 256.394 1.027 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)NCC[NH2+]C1CCCCCC1 ZINC000582349724 370518784 /nfs/dbraw/zinc/51/87/84/370518784.db2.gz ZDIZURURDDGFGB-HNNXBMFYSA-N 2 0 296.459 1.692 10 0 CDAERP [NH3+]CC1CCC([NH2+][C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000422696542 245157205 /nfs/dbraw/zinc/15/72/05/245157205.db2.gz RRYNJEAMHYDMKH-ZBCRRDGASA-N 2 0 287.407 1.899 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCO[C@@H]1CCCC[C@H]1C ZINC000422705400 245163461 /nfs/dbraw/zinc/16/34/61/245163461.db2.gz BTJGXAPLWBBDLD-QLFBSQMISA-N 2 0 272.433 1.925 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000422743114 245203030 /nfs/dbraw/zinc/20/30/30/245203030.db2.gz HXUJXCTYKOFTOC-WBMJQRKESA-N 2 0 279.403 1.975 10 0 CDAERP CC[C@@H](Cn1cncn1)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000340466848 371063647 /nfs/dbraw/zinc/06/36/47/371063647.db2.gz NRICZFABEXEBPM-KBPBESRZSA-N 2 0 265.405 1.378 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H]1COc2ccccc2O1 ZINC000422760398 245223647 /nfs/dbraw/zinc/22/36/47/245223647.db2.gz MASIVRYHJRMZFO-TUAOUCFPSA-N 2 0 250.342 1.542 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+]Cc1cccnc1N(C)C ZINC000422866269 245352399 /nfs/dbraw/zinc/35/23/99/245352399.db2.gz PZLDEFLRPZUHQH-GFCCVEGCSA-N 2 0 250.390 1.755 10 0 CDAERP C[C@@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1)C1C[NH2+]C1 ZINC000422867813 245353893 /nfs/dbraw/zinc/35/38/93/245353893.db2.gz TTYNBDNYTTZYNS-ZYHUDNBSSA-N 2 0 281.350 1.741 10 0 CDAERP C[C@H]([NH2+][C@H]1CCC[C@@H]1C[NH3+])c1ccc(S(N)(=O)=O)cc1 ZINC000089148474 299421336 /nfs/dbraw/zinc/42/13/36/299421336.db2.gz HHSDUIJNDBSAGQ-SUHUHFCYSA-N 2 0 297.424 1.112 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422878434 245363809 /nfs/dbraw/zinc/36/38/09/245363809.db2.gz JDKQZLAFVOTJLE-XHSDSOJGSA-N 2 0 285.476 1.698 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000569233964 371244215 /nfs/dbraw/zinc/24/42/15/371244215.db2.gz NTUNYNCRAYAUMZ-LLVKDONJSA-N 2 0 289.301 1.197 10 0 CDAERP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CC[NH+]2CCC1CC2 ZINC000376572950 371275947 /nfs/dbraw/zinc/27/59/47/371275947.db2.gz IDMXAYVSQKERAK-UKRRQHHQSA-N 2 0 292.427 1.103 10 0 CDAERP O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CC[NH+]2CCC1CC2 ZINC000376572948 371276042 /nfs/dbraw/zinc/27/60/42/371276042.db2.gz IDMXAYVSQKERAK-DZGCQCFKSA-N 2 0 292.427 1.103 10 0 CDAERP CN(C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)[C@@H]1CCC[N@H+](C)C1 ZINC000377899684 371741337 /nfs/dbraw/zinc/74/13/37/371741337.db2.gz FBEQGXJRCPABFC-CZUORRHYSA-N 2 0 299.434 1.752 10 0 CDAERP CO[C@H](C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21)C1CCC1 ZINC000660119198 412795202 /nfs/dbraw/zinc/79/52/02/412795202.db2.gz YYRLWADYMRYZRC-YLFCFFPRSA-N 2 0 296.455 1.985 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000578202557 372344917 /nfs/dbraw/zinc/34/49/17/372344917.db2.gz WYNCGYGSNUYACD-SWLSCSKDSA-N 2 0 285.395 1.887 10 0 CDAERP CC[C@@]1(C(=O)NCC[N@H+](C)Cc2ccccc2)CC[NH2+]C1 ZINC000368566561 372657162 /nfs/dbraw/zinc/65/71/62/372657162.db2.gz MBNJVRPWRQHCMK-QGZVFWFLSA-N 2 0 289.423 1.624 10 0 CDAERP [NH3+]C/C=C/CNC(=O)NCC[NH2+]C1CCCCCC1 ZINC000638707147 372706794 /nfs/dbraw/zinc/70/67/94/372706794.db2.gz GKDNOHBOOQXIMQ-AATRIKPKSA-N 2 0 268.405 1.113 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCOc2ccc(OC)cc21 ZINC000423053930 245526392 /nfs/dbraw/zinc/52/63/92/245526392.db2.gz TXFOFEWWJVFVRH-WFASDCNBSA-N 2 0 294.395 1.862 10 0 CDAERP Cc1ncsc1CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000581482748 373031100 /nfs/dbraw/zinc/03/11/00/373031100.db2.gz ZHTIPZIDBQYIGV-JQWIXIFHSA-N 2 0 253.415 1.972 10 0 CDAERP CC[NH+](CC)CC1CC[NH+]([C@@H](C)CN2CCOCC2)CC1 ZINC000340765413 373077172 /nfs/dbraw/zinc/07/71/72/373077172.db2.gz WZESPFFNVOEOGA-INIZCTEOSA-N 2 0 297.487 1.761 10 0 CDAERP c1ccc([C@@H](C[C@@H]2CCOC2)[NH2+]CC2C[NH2+]C2)cc1 ZINC000423299801 245720385 /nfs/dbraw/zinc/72/03/85/245720385.db2.gz COYMATCAPQZVCX-XJKSGUPXSA-N 2 0 260.381 1.963 10 0 CDAERP C[C@@H]1OCC[C@@H]1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000631822721 373704582 /nfs/dbraw/zinc/70/45/82/373704582.db2.gz MGDOBSJLXBCHJO-XGUBFFRZSA-N 2 0 252.402 1.875 10 0 CDAERP CCOc1ccccc1OCC[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631841783 373833040 /nfs/dbraw/zinc/83/30/40/373833040.db2.gz PNDHAYYKEXERMM-KGLIPLIRSA-N 2 0 278.396 1.991 10 0 CDAERP C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631843069 373887765 /nfs/dbraw/zinc/88/77/65/373887765.db2.gz JBTJJQJLCYXNNN-QKGCVVFFSA-N 2 0 281.444 1.406 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)c1ccccc1CC[NH3+] ZINC000220036726 373889679 /nfs/dbraw/zinc/88/96/79/373889679.db2.gz GDCGIJKCLPIINT-UHFFFAOYSA-N 2 0 277.412 1.650 10 0 CDAERP C[C@H]1CN(CC(=O)Nc2ccccc2F)C[C@@H]1C[NH3+] ZINC000631843639 373892351 /nfs/dbraw/zinc/89/23/51/373892351.db2.gz QYFJSFOASQGZFD-QWRGUYRKSA-N 2 0 265.332 1.291 10 0 CDAERP CC1(C)C[C@]1(C[NH3+])[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000669377236 541965097 /nfs/dbraw/zinc/96/50/97/541965097.db2.gz KSBMHCIEQVONDQ-IAGOWNOFSA-N 2 0 274.408 1.998 10 0 CDAERP CC(C)n1cncc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000424141825 246352384 /nfs/dbraw/zinc/35/23/84/246352384.db2.gz XQPKAAZAWVMHSF-UHFFFAOYSA-N 2 0 280.416 1.666 10 0 CDAERP C[C@H]1C[C@@H](N(C)CC[NH+]2CCCCC2)CC[N@@H+]1C ZINC000123625138 374701814 /nfs/dbraw/zinc/70/18/14/374701814.db2.gz QVMSWXBLFTXOFR-GJZGRUSLSA-N 2 0 253.434 1.887 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000417028467 375712583 /nfs/dbraw/zinc/71/25/83/375712583.db2.gz OFZCPGXWVJOOEA-RBSFLKMASA-N 2 0 294.443 1.254 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@@H]2[NH2+]CC2(C)C)CC1 ZINC000638975754 376321366 /nfs/dbraw/zinc/32/13/66/376321366.db2.gz PBNCKEFTMGYSGO-LBPRGKRZSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@H]1C[C@@H](NC(=O)NCC2([NH3+])CCCCCC2)CC[N@@H+]1C ZINC000334603512 376478369 /nfs/dbraw/zinc/47/83/69/376478369.db2.gz LQKLAJNOHIDAHK-KBPBESRZSA-N 2 0 296.459 1.820 10 0 CDAERP C[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1C[NH3+] ZINC000631840958 376693341 /nfs/dbraw/zinc/69/33/41/376693341.db2.gz XFGIYZWTWXSEDC-NXEZZACHSA-N 2 0 254.296 1.482 10 0 CDAERP CC[NH+](CC)CC(=O)NCC[N@H+](C)C1CCCCC1 ZINC000070828876 376766449 /nfs/dbraw/zinc/76/64/49/376766449.db2.gz NUXGGYDKLSMBBW-UHFFFAOYSA-N 2 0 269.433 1.709 10 0 CDAERP CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H](C)[C@H](C)[NH3+])c1 ZINC000417414024 377020091 /nfs/dbraw/zinc/02/00/91/377020091.db2.gz YAYUTDAHCJOVTB-QWHCGFSZSA-N 2 0 292.427 1.673 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CN(C)CCO1)[NH2+]CCCC(C)(C)C ZINC001662190900 1172502641 /nfs/dbraw/zinc/50/26/41/1172502641.db2.gz YIHDXMRQPGUXCU-UONOGXRCSA-N 2 0 299.459 1.238 10 0 CDAERP CC[NH+](CC)[C@@H](C)CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247504482 377137683 /nfs/dbraw/zinc/13/76/83/377137683.db2.gz OIDNCGGWYRHLTC-KBPBESRZSA-N 2 0 282.432 1.206 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](c1ccnn1C)C(C)C ZINC000643484260 377451131 /nfs/dbraw/zinc/45/11/31/377451131.db2.gz LZPDDXHQQADTSE-KGLIPLIRSA-N 2 0 282.432 1.503 10 0 CDAERP CCC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)[NH+](C)C ZINC000161703269 377741212 /nfs/dbraw/zinc/74/12/12/377741212.db2.gz HXRNAKAKUGBUOZ-JSGCOSHPSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@H](CNC(=O)NCCC[NH3+])[N@H+](C)Cc1ccccc1 ZINC000417591046 378080611 /nfs/dbraw/zinc/08/06/11/378080611.db2.gz RQPVLBALYJESMM-CYBMUJFWSA-N 2 0 278.400 1.155 10 0 CDAERP CCn1cncc1CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000417770469 378668010 /nfs/dbraw/zinc/66/80/10/378668010.db2.gz CAYHCEFPFGBPJC-STQMWFEESA-N 2 0 250.390 1.818 10 0 CDAERP C[NH+](C)CCCC[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000278637205 194079165 /nfs/dbraw/zinc/07/91/65/194079165.db2.gz HLSXKCABNZHHRN-UHFFFAOYSA-N 2 0 289.379 1.214 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CO[C@H](C)C1 ZINC000657573107 412904122 /nfs/dbraw/zinc/90/41/22/412904122.db2.gz JSHODQDIQCONRP-MJBXVCDLSA-N 2 0 257.422 1.025 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001662607294 1172565850 /nfs/dbraw/zinc/56/58/50/1172565850.db2.gz AZJZMDIPKUTYEB-KBPBESRZSA-N 2 0 267.417 1.319 10 0 CDAERP C[NH+](C)[C@@H]1CCCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655929336 412937750 /nfs/dbraw/zinc/93/77/50/412937750.db2.gz SKVKBHRUWHPNJZ-NXEZZACHSA-N 2 0 296.337 1.002 10 0 CDAERP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662398435 412960628 /nfs/dbraw/zinc/96/06/28/412960628.db2.gz SCBWTWVOVWUHEZ-NXEZZACHSA-N 2 0 280.372 1.210 10 0 CDAERP O=C1CC[C@H](C[NH+]2CCC(C[NH+]3CCCC3)CC2)CCN1 ZINC000450259818 296327899 /nfs/dbraw/zinc/32/78/99/296327899.db2.gz ACHUTDSINILXOH-HNNXBMFYSA-N 2 0 293.455 1.711 10 0 CDAERP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C[C@H]1CC[NH2+]C1 ZINC000662406958 412975194 /nfs/dbraw/zinc/97/51/94/412975194.db2.gz OBAQKTAHZRZRRG-APIJFGDWSA-N 2 0 281.444 1.469 10 0 CDAERP CC[C@@H]([NH2+]C)C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000662414902 412985469 /nfs/dbraw/zinc/98/54/69/412985469.db2.gz HLANJUNZOBCFKF-CYBMUJFWSA-N 2 0 255.406 1.365 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000505719327 254093278 /nfs/dbraw/zinc/09/32/78/254093278.db2.gz IWSZLOJKTFPLBI-OAHLLOKOSA-N 2 0 281.444 1.661 10 0 CDAERP CC[C@H]([NH2+]C)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000662450076 413031828 /nfs/dbraw/zinc/03/18/28/413031828.db2.gz FQHUVJLIUSFXLP-XQQFMLRXSA-N 2 0 255.406 1.364 10 0 CDAERP NC(=[NH2+])[C@@H](CN1CCC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000080793420 177708034 /nfs/dbraw/zinc/70/80/34/177708034.db2.gz DWOLQTQZSFKNAJ-CVEARBPZSA-N 2 0 286.423 1.876 10 0 CDAERP C[C@H](C(=O)N1CC[C@H]2C[NH+](C)C[C@H]21)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000646919588 390290897 /nfs/dbraw/zinc/29/08/97/390290897.db2.gz JCXBXSAORMITLT-QKGCVVFFSA-N 2 0 279.428 1.410 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](c1ccco1)N1CCCC1 ZINC000234791405 285373216 /nfs/dbraw/zinc/37/32/16/285373216.db2.gz UVBNIUYUKWQDEW-GJZGRUSLSA-N 2 0 295.427 1.760 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000422999566 285373296 /nfs/dbraw/zinc/37/32/96/285373296.db2.gz SRKDFOMWKAGFEC-HOTGVXAUSA-N 3 0 285.476 1.698 10 0 CDAERP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)o1 ZINC000647044454 390375521 /nfs/dbraw/zinc/37/55/21/390375521.db2.gz CNJBRKOYVCIDAN-DGCLKSJQSA-N 2 0 279.384 1.683 10 0 CDAERP C[C@H]1C[C@@H](c2nc([C@H]3CCC[NH2+]3)no2)CC[N@@H+]1C ZINC000647145415 390559668 /nfs/dbraw/zinc/55/96/68/390559668.db2.gz VJLAZZBDUUYECK-GARJFASQSA-N 2 0 250.346 1.692 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]([NH3+])C(C)C)[C@H](C)C1 ZINC000418383390 285388160 /nfs/dbraw/zinc/38/81/60/285388160.db2.gz IYZNDRPTNJCKPW-RDBSUJKOSA-N 2 0 284.448 1.341 10 0 CDAERP C[C@H](CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000237503506 390843814 /nfs/dbraw/zinc/84/38/14/390843814.db2.gz QKPQXXKLXVUJEX-QKPAOTATSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)(C[NH2+]C1CC[NH+](CC2CC2)CC1)[C@@]1(O)CCOC1 ZINC000647340011 390943176 /nfs/dbraw/zinc/94/31/76/390943176.db2.gz DFFJQKHUQDTRLT-QGZVFWFLSA-N 2 0 296.455 1.628 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000648210186 390952849 /nfs/dbraw/zinc/95/28/49/390952849.db2.gz LXMHXZNPVOXFPA-RWMBFGLXSA-N 2 0 265.401 1.165 10 0 CDAERP C[C@H]([NH3+])C1C[NH+](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000090410973 390884150 /nfs/dbraw/zinc/88/41/50/390884150.db2.gz OUJCVYXHSWGCHN-NSHDSACASA-N 2 0 283.416 1.665 10 0 CDAERP [NH3+][C@@H]1CC[C@@H](C(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000237939880 390891837 /nfs/dbraw/zinc/89/18/37/390891837.db2.gz WRLDUMOULYMTRR-GDBMZVCRSA-N 2 0 287.407 1.288 10 0 CDAERP C[N@H+](C[C@H](O)C1CCCCC1)C[C@@H]1CC[NH+](C)C1 ZINC000158447745 390932477 /nfs/dbraw/zinc/93/24/77/390932477.db2.gz MXQKCTKVDLUXJL-HIFRSBDPSA-N 2 0 254.418 1.811 10 0 CDAERP CN(C(=O)C[C@@H]1CCC[C@H]1[NH3+])[C@H]1C[NH+]2CCC1CC2 ZINC000405252345 390971075 /nfs/dbraw/zinc/97/10/75/390971075.db2.gz LMMWVLNLUWMRDP-MJBXVCDLSA-N 2 0 265.401 1.057 10 0 CDAERP CN(CCC(=O)NCC1([NH+](C)C)CCC1)c1cc[nH+]cc1 ZINC000526120561 391106482 /nfs/dbraw/zinc/10/64/82/391106482.db2.gz IZYIIFZSOGSEQQ-UHFFFAOYSA-N 2 0 290.411 1.508 10 0 CDAERP C[C@@H](NC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)[C@H](C)[NH3+] ZINC000417031559 391340401 /nfs/dbraw/zinc/34/04/01/391340401.db2.gz DTHJSNGUSGPXAM-HZSPNIEDSA-N 2 0 284.448 1.676 10 0 CDAERP CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000178966072 391362902 /nfs/dbraw/zinc/36/29/02/391362902.db2.gz UIOXLQGDUFMVHP-CQSZACIVSA-N 2 0 267.417 1.319 10 0 CDAERP C[N@@H+]1CCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)C2(CCCCC2)C1 ZINC000178864010 391363794 /nfs/dbraw/zinc/36/37/94/391363794.db2.gz JEEJTUWVXZUCPH-KBPBESRZSA-N 2 0 279.428 1.591 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000418351237 391363866 /nfs/dbraw/zinc/36/38/66/391363866.db2.gz RSYFBINXVGKJIW-HUUCEWRRSA-N 2 0 296.459 1.502 10 0 CDAERP CC(C)N1CCC[C@@H](N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)C1=O ZINC000179302432 391364671 /nfs/dbraw/zinc/36/46/71/391364671.db2.gz JRUOKPFOEFPJKI-RBSFLKMASA-N 2 0 281.444 1.800 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000417835400 391502150 /nfs/dbraw/zinc/50/21/50/391502150.db2.gz NXWAJUAEOSWSJU-GRYCIOLGSA-N 2 0 253.390 1.008 10 0 CDAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2C[C@H](C)[C@@H]2C)CC1 ZINC000495079183 391504598 /nfs/dbraw/zinc/50/45/98/391504598.db2.gz MXBNYLSPKVUAQM-FXUDXRNXSA-N 2 0 267.461 1.894 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+])CC(F)F ZINC000647800846 391664362 /nfs/dbraw/zinc/66/43/62/391664362.db2.gz LHHXDKWWYPRHSY-XWLWVQCSSA-N 2 0 250.333 1.620 10 0 CDAERP CN(C)c1nccc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)n1 ZINC000360869587 391675502 /nfs/dbraw/zinc/67/55/02/391675502.db2.gz DPDZMVOJALLZAO-CHWSQXEVSA-N 2 0 275.400 1.463 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000417605842 391695174 /nfs/dbraw/zinc/69/51/74/391695174.db2.gz CLBQNJZXVYSYFW-NSHDSACASA-N 2 0 292.374 1.015 10 0 CDAERP C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2cccnc2)C[C@@]1(C)C[NH3+] ZINC000415051525 391726800 /nfs/dbraw/zinc/72/68/00/391726800.db2.gz GBWMVVDOYWKURW-MLGOLLRUSA-N 2 0 285.395 1.888 10 0 CDAERP Cn1ncc(Br)c1C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415038321 391733228 /nfs/dbraw/zinc/73/32/28/391733228.db2.gz NATHALJNSBRUMG-RKDXNWHRSA-N 2 0 287.205 1.400 10 0 CDAERP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2ccc(-n3cncn3)cc2)C1 ZINC000415045520 391736484 /nfs/dbraw/zinc/73/64/84/391736484.db2.gz UEHORMLBRBRBLS-KBPBESRZSA-N 2 0 271.368 1.484 10 0 CDAERP C[NH2+]C[C@H](C)CNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000418141150 391761576 /nfs/dbraw/zinc/76/15/76/391761576.db2.gz XUMVMZBPCMEOIP-HSBZDZAISA-N 2 0 282.432 1.158 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000649299071 391934152 /nfs/dbraw/zinc/93/41/52/391934152.db2.gz XLUAWSMVUJFHOJ-QWHCGFSZSA-N 2 0 255.406 1.160 10 0 CDAERP CC[NH+](CC)CCCN1CCOC2(CC[NH+](C)CC2)C1 ZINC000646105748 392012321 /nfs/dbraw/zinc/01/23/21/392012321.db2.gz GJTBXZKEQORCHL-UHFFFAOYSA-N 2 0 283.460 1.515 10 0 CDAERP C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000649341951 392071372 /nfs/dbraw/zinc/07/13/72/392071372.db2.gz CELQJPDPBQMAQK-RBSFLKMASA-N 2 0 281.444 1.742 10 0 CDAERP c1cncc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)c1 ZINC000262029070 392031955 /nfs/dbraw/zinc/03/19/55/392031955.db2.gz XIJMTWLJQAUMSF-KFWWJZLASA-N 2 0 261.369 1.328 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000649328416 392038188 /nfs/dbraw/zinc/03/81/88/392038188.db2.gz YGOKWRRTOXWNCO-VXGBXAGGSA-N 2 0 289.370 1.174 10 0 CDAERP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC1(CCO)CC1 ZINC000423065286 392313127 /nfs/dbraw/zinc/31/31/27/392313127.db2.gz TVJIMFZROLWPSJ-UKRRQHHQSA-N 2 0 262.397 1.697 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)NC(C)C)[C@@H](C)C1 ZINC000252652788 392249450 /nfs/dbraw/zinc/24/94/50/392249450.db2.gz XPFCYPVGHLQFMR-KBPBESRZSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)(CN[C@@H](C1CC1)[C@H]1C[NH2+]CCO1)C[NH+]1CCCC1 ZINC000423084085 392329347 /nfs/dbraw/zinc/32/93/47/392329347.db2.gz ZSUBHMBPJHYLPO-CVEARBPZSA-N 2 0 295.471 1.465 10 0 CDAERP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])CCO1 ZINC000423148958 392389049 /nfs/dbraw/zinc/38/90/49/392389049.db2.gz GZBNPTWCUNQBQH-QCODTGAPSA-N 2 0 284.444 1.780 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000423154673 392392565 /nfs/dbraw/zinc/39/25/65/392392565.db2.gz PHPZNXGNLATHSS-QLFBSQMISA-N 2 0 272.433 1.781 10 0 CDAERP [NH3+]CC1CCC([NH2+]Cc2ccc3c[nH+]cn3c2)CC1 ZINC000423168401 392408201 /nfs/dbraw/zinc/40/82/01/392408201.db2.gz HEJQUZCCJSOWCD-UHFFFAOYSA-N 3 0 258.369 1.941 10 0 CDAERP O=C(CC1CC[NH2+]CC1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000645889627 392473702 /nfs/dbraw/zinc/47/37/02/392473702.db2.gz SUTGRMXCQVXLLS-UHFFFAOYSA-N 2 0 285.351 1.596 10 0 CDAERP CC[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1cccc(OC)c1 ZINC000521607047 393026867 /nfs/dbraw/zinc/02/68/67/393026867.db2.gz BBVLWUNLICYNTB-OAHLLOKOSA-N 2 0 291.395 1.168 10 0 CDAERP O=C(NCCC[C@H]1CCC[NH2+]1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000514925520 393064856 /nfs/dbraw/zinc/06/48/56/393064856.db2.gz SZPSEEWCNCCNIL-ZBFHGGJFSA-N 2 0 294.443 1.304 10 0 CDAERP COCCC[NH+]1CCC([NH2+][C@H]2CCC(=O)NC2(C)C)CC1 ZINC000495063710 393168688 /nfs/dbraw/zinc/16/86/88/393168688.db2.gz YAIGDGMQHSQNSD-AWEZNQCLSA-N 2 0 297.443 1.134 10 0 CDAERP C[NH+](C)C1CCN(CCN2CCC([NH+](C)C)CC2)CC1 ZINC000134983884 393291208 /nfs/dbraw/zinc/29/12/08/393291208.db2.gz JFALTCNALYCUIQ-UHFFFAOYSA-N 2 0 282.476 1.038 10 0 CDAERP C[N@H+](CCC(=O)N1CC[NH+]2CCC1CC2)C1CCCCC1 ZINC000548720574 393358127 /nfs/dbraw/zinc/35/81/27/393358127.db2.gz JUFHLCPYNYOPFW-UHFFFAOYSA-N 2 0 293.455 1.948 10 0 CDAERP C[C@H]([NH2+][C@H]1CCC[C@@H]1C[NH3+])c1ccc2[nH]c(=O)[nH]c2c1 ZINC000089149762 139670450 /nfs/dbraw/zinc/67/04/50/139670450.db2.gz OZHLGHPGHJWHEN-WCQGTBRESA-N 2 0 274.368 1.634 10 0 CDAERP CCCn1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cn1 ZINC000220348970 140168079 /nfs/dbraw/zinc/16/80/79/140168079.db2.gz IIPPPTJFLMLIBZ-RRFJBIMHSA-N 2 0 262.401 1.852 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](CN(C)C)c1ccccc1 ZINC000234805108 140231711 /nfs/dbraw/zinc/23/17/11/140231711.db2.gz DBVFRUPUQJXQDD-HOTGVXAUSA-N 2 0 279.428 1.633 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)CC(=O)NCc2ccco2)[C@@H](C)C1 ZINC000245414441 140267391 /nfs/dbraw/zinc/26/73/91/140267391.db2.gz CHEOCXIFQCWCOC-DZGCQCFKSA-N 2 0 293.411 1.558 10 0 CDAERP Cn1cc([C@@H]2CC[N@H+](CC[C@H]3CCC[NH+]3C)C2)cn1 ZINC000245703029 140275531 /nfs/dbraw/zinc/27/55/31/140275531.db2.gz XXRRRWGNMJRYHK-UKRRQHHQSA-N 2 0 262.401 1.694 10 0 CDAERP C[C@]1(C[NH+]2CCC(N3CCCC3=O)CC2)CC[NH2+]C1 ZINC000261713017 140379444 /nfs/dbraw/zinc/37/94/44/140379444.db2.gz DYFJGUODHGRHLY-HNNXBMFYSA-N 2 0 265.401 1.073 10 0 CDAERP [NH3+]CCN(CCc1ccccc1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000261727329 140380829 /nfs/dbraw/zinc/38/08/29/140380829.db2.gz MHQNITHWMHLMJW-LSDHHAIUSA-N 2 0 275.396 1.144 10 0 CDAERP C[NH+]1CCC(C(=O)N(CC[NH3+])CCc2ccccc2)CC1 ZINC000261765929 140386152 /nfs/dbraw/zinc/38/61/52/140386152.db2.gz QUKHYPKTHHADIM-UHFFFAOYSA-N 2 0 289.423 1.358 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)[C@@H]([NH3+])C2CCC2)CC1 ZINC000423749816 289102949 /nfs/dbraw/zinc/10/29/49/289102949.db2.gz SJRNESYBRCJEQR-UBHUBRDASA-N 2 0 267.417 1.350 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662548038 413113415 /nfs/dbraw/zinc/11/34/15/413113415.db2.gz AKQZJVKKLUCQAC-RDGKXADDSA-N 2 0 281.444 1.739 10 0 CDAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C1CC(CF)(CF)C1 ZINC000657975911 413117425 /nfs/dbraw/zinc/11/74/25/413117425.db2.gz ICMZPEZABMGWGJ-CYBMUJFWSA-N 2 0 289.414 1.690 10 0 CDAERP CO[C@@H](C[NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@@H]1CCOC1 ZINC000658074259 413173971 /nfs/dbraw/zinc/17/39/71/413173971.db2.gz SCJXZBYFIIJKNK-HIFRSBDPSA-N 2 0 284.444 1.890 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1CCC[C@@H]1C[NH3+])Cc1ccccc1 ZINC000386735645 398079190 /nfs/dbraw/zinc/07/91/90/398079190.db2.gz CECQALDOHBDXFP-CVEARBPZSA-N 2 0 289.423 1.610 10 0 CDAERP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)[C@H]1CCOC1 ZINC000658105879 413204192 /nfs/dbraw/zinc/20/41/92/413204192.db2.gz FFJHGCIRQGQPSK-ZNMIVQPWSA-N 2 0 271.449 1.273 10 0 CDAERP Cc1nccnc1[C@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000658106207 413207152 /nfs/dbraw/zinc/20/71/52/413207152.db2.gz GLKJBJFJRNWYSD-ZFWWWQNUSA-N 2 0 293.459 1.708 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CCCn2nccc21 ZINC000658109282 413210259 /nfs/dbraw/zinc/21/02/59/413210259.db2.gz VDSGOWAJWYIFQS-GJZGRUSLSA-N 2 0 293.459 1.580 10 0 CDAERP C[C@]1(C[NH3+])CCN(C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000262059709 149006444 /nfs/dbraw/zinc/00/64/44/149006444.db2.gz RPFLVTCJEGCDFT-UMVBOHGHSA-N 2 0 267.417 1.481 10 0 CDAERP Cc1ccc([C@@H](CNC(=O)C2C[NH2+]C2)[NH+]2CCCC2)o1 ZINC000262276929 149045398 /nfs/dbraw/zinc/04/53/98/149045398.db2.gz UZONTSGFRHMAPR-CYBMUJFWSA-N 2 0 277.368 1.061 10 0 CDAERP C[C@H]1C[N@H+](C)C[C@H]1NCCC[NH+]1CCc2ccccc2C1 ZINC000343192643 152063675 /nfs/dbraw/zinc/06/36/75/152063675.db2.gz NRBLDFRBEUPONY-MAUKXSAKSA-N 2 0 287.451 1.975 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCOC2)[C@H](C)C1 ZINC000343956706 152369442 /nfs/dbraw/zinc/36/94/42/152369442.db2.gz ATMHQAPTEMDDAN-PMPSAXMXSA-N 2 0 284.444 1.892 10 0 CDAERP CC(C)C[C@@H](CNC(=O)C1([NH2+]C2CC2)CCC1)[NH+](C)C ZINC000662673903 413289495 /nfs/dbraw/zinc/28/94/95/413289495.db2.gz SEBRQWRKTIKEHC-AWEZNQCLSA-N 2 0 281.444 1.754 10 0 CDAERP O[C@H](CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(F)(F)F ZINC000349331555 154091927 /nfs/dbraw/zinc/09/19/27/154091927.db2.gz LOOGYWKJPFFMNA-GMTAPVOTSA-N 2 0 266.307 1.516 10 0 CDAERP C[N@@H+]1CCC[C@]2(CCN(CCO[C@H]3CC3(F)F)C2)C1 ZINC000660642677 413323443 /nfs/dbraw/zinc/32/34/43/413323443.db2.gz UFAQFNLHJPGYKX-STQMWFEESA-N 2 0 274.355 1.828 10 0 CDAERP C[N@H+](Cc1cn([C@@H]2CCC[NH2+]C2)nn1)C1CCCCC1 ZINC000656468588 413327511 /nfs/dbraw/zinc/32/75/11/413327511.db2.gz OMVTUOSLBSDDSE-OAHLLOKOSA-N 2 0 277.416 1.967 10 0 CDAERP C[C@@H](CC[NH+](C)C)NC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662703044 413346891 /nfs/dbraw/zinc/34/68/91/413346891.db2.gz OJDQULUBSBKDAA-NSHDSACASA-N 2 0 253.390 1.104 10 0 CDAERP CN(C(=O)C1([NH2+]C2CC2)CCC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000662719886 413377975 /nfs/dbraw/zinc/37/79/75/413377975.db2.gz MGNGEECHUAOTCP-AWEZNQCLSA-N 2 0 277.412 1.356 10 0 CDAERP O[C@H](C[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1)C[NH+]1CCCC1 ZINC000361897130 159012625 /nfs/dbraw/zinc/01/26/25/159012625.db2.gz PRTLKVSQFWHLGI-QBPKDAKJSA-N 2 0 296.455 1.628 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000662730929 413396466 /nfs/dbraw/zinc/39/64/66/413396466.db2.gz VKDGHPRGRHOGTA-BFHYXJOUSA-N 2 0 269.433 1.774 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC[N@@H+]1C ZINC000284442980 196055724 /nfs/dbraw/zinc/05/57/24/196055724.db2.gz UYMWXFFMNROGCX-OCCSQVGLSA-N 2 0 286.379 1.889 10 0 CDAERP C[NH+]1CCN(C[C@@H]([NH3+])c2ccc(F)c(F)c2)CC1 ZINC000019258292 170760830 /nfs/dbraw/zinc/76/08/30/170760830.db2.gz AKKZXHSXECWEFB-CYBMUJFWSA-N 2 0 255.312 1.212 10 0 CDAERP CC[NH+]1CCN(C[C@@H]([NH3+])c2cc(C)ccc2C)CC1 ZINC000022562756 171390945 /nfs/dbraw/zinc/39/09/45/171390945.db2.gz UXBLAERPGXYFFT-MRXNPFEDSA-N 2 0 261.413 1.941 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)C[NH2+]CC1CC1 ZINC000653176516 412115811 /nfs/dbraw/zinc/11/58/11/412115811.db2.gz XILPDDCJOAFSSV-UHFFFAOYSA-N 2 0 255.406 1.080 10 0 CDAERP [NH3+]CC1(CCNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC1 ZINC000653221458 412147578 /nfs/dbraw/zinc/14/75/78/412147578.db2.gz XSTUYQKGVAWUJT-VTXSZYRJSA-N 2 0 279.428 1.385 10 0 CDAERP CC(C)CN(C(=O)CC1([NH3+])CC1)C1CC[NH+](C)CC1 ZINC000662788636 413499710 /nfs/dbraw/zinc/49/97/10/413499710.db2.gz NCGQIXBVNCJANY-UHFFFAOYSA-N 2 0 267.417 1.447 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000660823449 413519971 /nfs/dbraw/zinc/51/99/71/413519971.db2.gz VBLSQOKXZYTMLX-KGLIPLIRSA-N 2 0 298.475 1.889 10 0 CDAERP CC(C)[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C(C)C)C1(CO)CC=CC1 ZINC000660901662 413633783 /nfs/dbraw/zinc/63/37/83/413633783.db2.gz IRDCUCLYDRCADX-JKSUJKDBSA-N 2 0 298.471 1.630 10 0 CDAERP CC[C@H](C[NH+]1CCCC1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000654799920 413720267 /nfs/dbraw/zinc/72/02/67/413720267.db2.gz HHBIBKSQMZJTRB-ZIAGYGMSSA-N 2 0 267.417 1.319 10 0 CDAERP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)o1 ZINC000659391526 413783305 /nfs/dbraw/zinc/78/33/05/413783305.db2.gz XUNMLCSIGQIRMR-CHWSQXEVSA-N 2 0 297.374 1.633 10 0 CDAERP C[C@H](CCNC(=O)NCC12CC(C1)C[NH2+]2)[NH+]1CCCCC1 ZINC000659483187 413875253 /nfs/dbraw/zinc/87/52/53/413875253.db2.gz XMQUYIIRBSAPRS-VQCLRJIVSA-N 2 0 294.443 1.302 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000659439642 413822420 /nfs/dbraw/zinc/82/24/20/413822420.db2.gz YSIHIMHBWUEOLF-UONOGXRCSA-N 2 0 284.448 1.391 10 0 CDAERP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000661204113 413884933 /nfs/dbraw/zinc/88/49/33/413884933.db2.gz DKGHPROGQLHXIY-ZIAGYGMSSA-N 2 0 298.475 1.887 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NCC1([NH3+])CCCCC1 ZINC000659508600 413903283 /nfs/dbraw/zinc/90/32/83/413903283.db2.gz YFLTXAKYECNWOG-GFCCVEGCSA-N 2 0 270.421 1.321 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](C)c1ccccn1 ZINC000665233037 413957505 /nfs/dbraw/zinc/95/75/05/413957505.db2.gz ZRPDEOKBMSFDBY-QWHCGFSZSA-N 2 0 251.374 1.529 10 0 CDAERP CC(=O)NCc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000665234599 413958575 /nfs/dbraw/zinc/95/85/75/413958575.db2.gz GRBQCJYNQBLWBQ-IAGOWNOFSA-N 2 0 289.423 1.930 10 0 CDAERP Cc1ccncc1CC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000665239796 413966808 /nfs/dbraw/zinc/96/68/08/413966808.db2.gz ZGFWXWBOPDVHKG-YESZJQIVSA-N 2 0 289.423 1.679 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000659562200 413973584 /nfs/dbraw/zinc/97/35/84/413973584.db2.gz YHFOGFZSEXPXPL-RBSFLKMASA-N 2 0 296.459 1.676 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000659625778 414040135 /nfs/dbraw/zinc/04/01/35/414040135.db2.gz ZKCXMMKBEGRLJK-QWHCGFSZSA-N 2 0 270.421 1.095 10 0 CDAERP CO[C@@H]1CCCC[C@@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000037229193 173048764 /nfs/dbraw/zinc/04/87/64/173048764.db2.gz LVOLIBFFQQDQKK-LSDHHAIUSA-N 2 0 269.433 1.171 10 0 CDAERP CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]CCCC(=O)OC)C1 ZINC000037415962 173192123 /nfs/dbraw/zinc/19/21/23/173192123.db2.gz VMLGHOCSVSNQGK-CHWSQXEVSA-N 2 0 256.390 1.650 10 0 CDAERP COc1ccc(C[NH2+]CCN2CC[NH+](C)CC2)cc1 ZINC000037496738 173235471 /nfs/dbraw/zinc/23/54/71/173235471.db2.gz CMLVOMQQRHODJQ-UHFFFAOYSA-N 2 0 263.385 1.032 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000655131864 414082269 /nfs/dbraw/zinc/08/22/69/414082269.db2.gz UXTIWAGCPZVUCR-KGLIPLIRSA-N 2 0 282.432 1.205 10 0 CDAERP CC[C@H]1C[C@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)CO1 ZINC000657306358 414147795 /nfs/dbraw/zinc/14/77/95/414147795.db2.gz VWFRJROPVRKVOF-GJZGRUSLSA-N 2 0 269.433 1.170 10 0 CDAERP Cn1cc(CCC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)cn1 ZINC000657343758 414182782 /nfs/dbraw/zinc/18/27/82/414182782.db2.gz UOPYBRMTJIHIAU-UHFFFAOYSA-N 2 0 296.378 1.723 10 0 CDAERP CC(=O)NC1CCC([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000655805828 414197833 /nfs/dbraw/zinc/19/78/33/414197833.db2.gz SZCQAEJMSHDNDW-LPDVGHNRSA-N 2 0 267.417 1.364 10 0 CDAERP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)C(C)(C)n1cncn1 ZINC000655804457 414198068 /nfs/dbraw/zinc/19/80/68/414198068.db2.gz ZAZJFWNQBMGTBW-UPJWGTAASA-N 2 0 265.405 1.332 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCCC[C@@H]2S(C)(=O)=O)C1 ZINC000655805187 414198298 /nfs/dbraw/zinc/19/82/98/414198298.db2.gz KJXOCASKLYSLLD-CRWXNKLISA-N 2 0 288.457 1.272 10 0 CDAERP c1cc(C[NH2+][C@@H]2CCN(C3CC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000657348080 414209149 /nfs/dbraw/zinc/20/91/49/414209149.db2.gz JUPMCIPXXWJIHY-CYBMUJFWSA-N 2 0 283.379 1.594 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NC1CCCC1 ZINC000663399776 414217285 /nfs/dbraw/zinc/21/72/85/414217285.db2.gz HFJIWIOFZXTZSU-ZDUSSCGKSA-N 2 0 284.448 1.500 10 0 CDAERP CC(C)NC(=O)[C@@H]1CCC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000663504242 414306338 /nfs/dbraw/zinc/30/63/38/414306338.db2.gz WRMCLALSBDEPDJ-UKRRQHHQSA-N 2 0 267.417 1.223 10 0 CDAERP C[NH+](C)CCC[C@@H]1CN(C[C@@]2(C)CC[NH2+]C2)CCO1 ZINC000663509915 414311713 /nfs/dbraw/zinc/31/17/13/414311713.db2.gz BKKQTVWKVGZXAP-CABCVRRESA-N 2 0 269.433 1.029 10 0 CDAERP CC[C@H]1C[C@H]([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)CO1 ZINC000657419581 414313913 /nfs/dbraw/zinc/31/39/13/414313913.db2.gz NPFKPWSATVWSAD-KKUMJFAQSA-N 2 0 299.459 1.236 10 0 CDAERP COC[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)OC ZINC000660013429 414360649 /nfs/dbraw/zinc/36/06/49/414360649.db2.gz XKVYGZWCLASXCZ-MELADBBJSA-N 2 0 256.390 1.064 10 0 CDAERP Cn1cnc(CC[NH2+]Cc2c(C3CCC3)cnn2C)c1 ZINC000657487970 414383774 /nfs/dbraw/zinc/38/37/74/414383774.db2.gz CRNWJZJJRQFLEC-UHFFFAOYSA-N 2 0 273.384 1.753 10 0 CDAERP CCC(CC)[N@H+](CCOC)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662253507 414587686 /nfs/dbraw/zinc/58/76/86/414587686.db2.gz ZBWJBJPVQYJCRB-AWEZNQCLSA-N 2 0 270.417 1.644 10 0 CDAERP CC[N@H+](C[C@@H]1CCCO1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662254679 414589820 /nfs/dbraw/zinc/58/98/20/414589820.db2.gz SNADJRXJQJRGBM-STQMWFEESA-N 2 0 254.374 1.008 10 0 CDAERP C[C@@]1(F)C[NH2+]CCN(Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662272261 414604490 /nfs/dbraw/zinc/60/44/90/414604490.db2.gz DJRVILKIRKSVSF-MRXNPFEDSA-N 2 0 277.387 1.466 10 0 CDAERP CO[C@@H](C[NH+]1CCC(O)(C[NH3+])CC1)C1CCCCC1 ZINC000662283098 414613562 /nfs/dbraw/zinc/61/35/62/414613562.db2.gz KWBAUSJQXUIADN-AWEZNQCLSA-N 2 0 270.417 1.367 10 0 CDAERP C[N@@H+]1CC[C@H](NC[C@@H]2C[NH2+]CCO2)[C@H]1c1ccccc1 ZINC000662284709 414613836 /nfs/dbraw/zinc/61/38/36/414613836.db2.gz ZLXLLBMCIIEGNZ-HRCADAONSA-N 2 0 275.396 1.010 10 0 CDAERP CO[C@H](CN1CCO[C@H]([C@@H](C)[NH3+])C1)C1CCCCC1 ZINC000662247602 414583449 /nfs/dbraw/zinc/58/34/49/414583449.db2.gz GPUXWPWVGFEHKK-VHDGCEQUSA-N 2 0 270.417 1.630 10 0 CDAERP C[C@@H](CNC(=O)C1CCC([NH3+])CC1)C[NH+]1CCCCC1 ZINC000038042324 174045446 /nfs/dbraw/zinc/04/54/46/174045446.db2.gz TZEKDGCMMMHXPY-NFOMZHRRSA-N 2 0 281.444 1.742 10 0 CDAERP O=C(CC1CC[NH2+]CC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000038076025 174086204 /nfs/dbraw/zinc/08/62/04/174086204.db2.gz JUVBXKJLSGTMFN-UHFFFAOYSA-N 2 0 293.455 1.711 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)C2CCC([NH3+])CC2)C1 ZINC000040503531 174300412 /nfs/dbraw/zinc/30/04/12/174300412.db2.gz FESDVLPDBHGDGK-BPCQOVAHSA-N 2 0 253.390 1.104 10 0 CDAERP Cc1cc(C)c(C(N)=[NH2+])c(OCC[C@@H]2CCC[N@H+]2C)n1 ZINC000040515289 174306587 /nfs/dbraw/zinc/30/65/87/174306587.db2.gz NGFGKNHHGQLPES-LBPRGKRZSA-N 2 0 276.384 1.846 10 0 CDAERP CC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+][C@@H]2CCCN(C)C2)C1 ZINC000040672687 174370413 /nfs/dbraw/zinc/37/04/13/174370413.db2.gz FDJMOQBZNUAEOW-QLFBSQMISA-N 2 0 253.434 1.791 10 0 CDAERP CC[N@H+](CCC(=O)N(C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748450 174393096 /nfs/dbraw/zinc/39/30/96/174393096.db2.gz UTRONBCDQIHSER-FUNVUKJBSA-N 2 0 253.390 1.070 10 0 CDAERP CCc1cc(N2CCC[N@@H+]([C@@H](CC)CC[NH3+])CC2)ncn1 ZINC000040764946 174397532 /nfs/dbraw/zinc/39/75/32/174397532.db2.gz ACWFOXUFDSDSOA-HNNXBMFYSA-N 2 0 291.443 1.679 10 0 CDAERP CC(C)[NH+]1CCN([C@H](c2ccncc2)[C@@H](C)[NH3+])CC1 ZINC000043353678 175020690 /nfs/dbraw/zinc/02/06/90/175020690.db2.gz CHWBOXVCMFCUCG-HIFRSBDPSA-N 2 0 262.401 1.496 10 0 CDAERP CC[C@@H]([NH3+])[C@@H](N1CCC[N@H+](C)CC1)C(F)(F)F ZINC000043376798 175030235 /nfs/dbraw/zinc/03/02/35/175030235.db2.gz RRQTUPWRABAPQY-NXEZZACHSA-N 2 0 253.312 1.292 10 0 CDAERP C[NH2+][C@H](C)c1ccc(OC)c(CN2CC[NH+](C)CC2)c1 ZINC000043810643 175109471 /nfs/dbraw/zinc/10/94/71/175109471.db2.gz VYDRZZBYURBWQG-CYBMUJFWSA-N 2 0 277.412 1.723 10 0 CDAERP CCOc1ccccc1[C@@H](CN1CC[NH+](C)CC1)[NH2+]C ZINC000043810533 175109755 /nfs/dbraw/zinc/10/97/55/175109755.db2.gz FGTMBNXKXXPPBU-OAHLLOKOSA-N 2 0 277.412 1.593 10 0 CDAERP CC[NH2+][C@H](CN1CCC[N@H+](C)CC1)c1ccccc1OC ZINC000043818341 175112879 /nfs/dbraw/zinc/11/28/79/175112879.db2.gz JHJJXQLZSYIDLH-MRXNPFEDSA-N 2 0 291.439 1.983 10 0 CDAERP CC[NH2+][C@H]1CCCCC[C@H]1N1CCC[N@H+](C)CC1 ZINC000043818330 175113236 /nfs/dbraw/zinc/11/32/36/175113236.db2.gz GCBNQTPJHYZWMH-LSDHHAIUSA-N 2 0 253.434 1.935 10 0 CDAERP CC[NH2+][C@@H]1CCOC[C@H]1N1CCC(C[NH+](C)C)CC1 ZINC000043970747 175132057 /nfs/dbraw/zinc/13/20/57/175132057.db2.gz DYZKDLNBHVJXBP-HUUCEWRRSA-N 2 0 269.433 1.027 10 0 CDAERP CC[NH2+][C@@H]1CCCC[C@@H]1N(CCOC)[C@@H](C)COC ZINC000043975900 175132562 /nfs/dbraw/zinc/13/25/62/175132562.db2.gz YVGRSNSICKHGSS-ZNMIVQPWSA-N 2 0 272.433 1.890 10 0 CDAERP CC(C)[N@@H+]1CCc2nc(N3CC[NH2+]CC3)sc2C1 ZINC000044494110 175181504 /nfs/dbraw/zinc/18/15/04/175181504.db2.gz OATXEVVPDZSAIO-UHFFFAOYSA-N 2 0 266.414 1.319 10 0 CDAERP C[C@@H](C(=O)NCC1CC[NH2+]CC1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000044503465 175186750 /nfs/dbraw/zinc/18/67/50/175186750.db2.gz NVFGQFUCWQASEP-AVGNSLFASA-N 2 0 267.417 1.364 10 0 CDAERP C[NH+]1CCC(C[NH2+]Cc2cnn(-c3ccccc3)n2)CC1 ZINC000044516153 175189975 /nfs/dbraw/zinc/18/99/75/175189975.db2.gz XLSIHRPXCPDCMR-UHFFFAOYSA-N 2 0 285.395 1.699 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000044526727 175191842 /nfs/dbraw/zinc/19/18/42/175191842.db2.gz DIYNTUDMVBYWJK-PMPSAXMXSA-N 2 0 293.455 1.755 10 0 CDAERP CCC[NH2+]CC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000044650637 175224444 /nfs/dbraw/zinc/22/44/44/175224444.db2.gz VUNSADLHGXJUCD-UHFFFAOYSA-N 2 0 255.406 1.319 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)C(CC)(CC)C[NH3+])C1 ZINC000044763658 175247615 /nfs/dbraw/zinc/24/76/15/175247615.db2.gz VCYVMQYLIHJQEL-LBPRGKRZSA-N 2 0 255.406 1.352 10 0 CDAERP [NH3+]C[C@H](Cc1ccccc1)C(=O)N[C@H]1C[NH+]2CCC1CC2 ZINC000044794345 175254278 /nfs/dbraw/zinc/25/42/78/175254278.db2.gz ZHLNUVMTMOSGNK-HOTGVXAUSA-N 2 0 287.407 1.014 10 0 CDAERP C[C@H](CNC(=O)Nc1cccc(C[NH3+])c1)[NH+](C)C ZINC000045110795 175309878 /nfs/dbraw/zinc/30/98/78/175309878.db2.gz MDTWQIYBDYRBDV-SNVBAGLBSA-N 2 0 250.346 1.217 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000045137310 175314477 /nfs/dbraw/zinc/31/44/77/175314477.db2.gz JKMUNWLKCSIRRS-HZSPNIEDSA-N 2 0 267.417 1.221 10 0 CDAERP CS(=O)(=O)c1ccc(C[NH2+]CC2CCC([NH3+])CC2)cc1 ZINC000045174435 175323130 /nfs/dbraw/zinc/32/31/30/175323130.db2.gz IEXXLFVZNYUVAP-UHFFFAOYSA-N 2 0 296.436 1.697 10 0 CDAERP CC[NH+]1CCN(CCCC[C@@](C)([NH2+]C(C)C)C(N)=O)CC1 ZINC000045374368 175365666 /nfs/dbraw/zinc/36/56/66/175365666.db2.gz YUGHNAYTZDEJEZ-MRXNPFEDSA-N 2 0 298.475 1.036 10 0 CDAERP CC[NH2+][C@@](C)(CCCC[NH+]1CCC(C)CC1)C(N)=O ZINC000045374818 175365756 /nfs/dbraw/zinc/36/57/56/175365756.db2.gz MDKWUDPTLNAERF-HNNXBMFYSA-N 2 0 269.433 1.742 10 0 CDAERP COC(=O)[C@@](C)([NH3+])CCC[N@H+](C)C1CCCCC1 ZINC000045379123 175368617 /nfs/dbraw/zinc/36/86/17/175368617.db2.gz YEXMIZZZPWGDLO-AWEZNQCLSA-N 2 0 256.390 1.922 10 0 CDAERP CC[N@H+](CCC[C@](C)([NH2+]C1CC1)C(N)=O)C(C)C ZINC000045383908 175370743 /nfs/dbraw/zinc/37/07/43/175370743.db2.gz XXLBFUXKUNHGRU-AWEZNQCLSA-N 2 0 255.406 1.493 10 0 CDAERP CC[C@@H]1C[C@H](C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)CCO1 ZINC000349802291 287304606 /nfs/dbraw/zinc/30/46/06/287304606.db2.gz NJGZRYCAXNNLFG-GVDBMIGSSA-N 2 0 297.487 1.807 10 0 CDAERP CC[NH2+][C@@H]1CCCN([C@H](CC(C)C)C[NH+](C)C)C1=O ZINC000071032009 176023077 /nfs/dbraw/zinc/02/30/77/176023077.db2.gz MMDVBEIWIHXESX-ZIAGYGMSSA-N 2 0 269.433 1.563 10 0 CDAERP C[C@H](CN1CC[C@H]([NH2+]C2CC2)C1=O)[NH+]1CCCCC1 ZINC000071036365 176025161 /nfs/dbraw/zinc/02/51/61/176025161.db2.gz VSFKIJFJWYFJSV-OCCSQVGLSA-N 2 0 265.401 1.214 10 0 CDAERP CC(C)[NH2+][C@H]1CCN(C[C@H](C)[NH+]2CCCCC2)C1=O ZINC000071036363 176025559 /nfs/dbraw/zinc/02/55/59/176025559.db2.gz OOIAVNOYFNTKPA-KBPBESRZSA-N 2 0 267.417 1.460 10 0 CDAERP CC(C)[NH2+][C@@H]1CCCN(C[C@H](C)[NH+]2CCCCC2)C1=O ZINC000071036403 176025894 /nfs/dbraw/zinc/02/58/94/176025894.db2.gz JIDRDVXCHUEWEW-LSDHHAIUSA-N 2 0 281.444 1.850 10 0 CDAERP CCC[NH2+][C@H]1CCCN(CC2CC[NH+](CC)CC2)C1=O ZINC000071036465 176026087 /nfs/dbraw/zinc/02/60/87/176026087.db2.gz YMYAGXNVNPLNNA-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@H]([NH3+])[C@@H](c1cnn(C)c1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071187898 176061755 /nfs/dbraw/zinc/06/17/55/176061755.db2.gz WROONWOMZIKMNU-VHDGCEQUSA-N 2 0 279.432 1.082 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)C1(C[NH3+])CCCCCC1 ZINC000071188601 176063323 /nfs/dbraw/zinc/06/33/23/176063323.db2.gz SCHAQBBPGOXXJP-CQSZACIVSA-N 2 0 253.434 1.922 10 0 CDAERP CC(C)[NH2+][C@@](C)(CCC[N@H+](C)C[C@@H]1CC[NH+](C)C1)C(=O)[O-] ZINC000071190900 176067500 /nfs/dbraw/zinc/06/75/00/176067500.db2.gz WXWOQRJTIPEUEG-HOCLYGCPSA-N 2 0 299.459 1.491 10 0 CDAERP COCCC[N@H+](CCOC)Cc1ccc(F)cc1C[NH3+] ZINC000071263431 176096846 /nfs/dbraw/zinc/09/68/46/176096846.db2.gz NCOBIIJGOKIUNL-UHFFFAOYSA-N 2 0 284.375 1.769 10 0 CDAERP C[C@H]1CCC[NH2+][C@@H]1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000071379406 176143776 /nfs/dbraw/zinc/14/37/76/176143776.db2.gz WZOSGGHGQPJOBG-JSGCOSHPSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@H]1C[C@H](C(=O)NCC[N@H+](C)C2CCCC2)CC[C@@H]1[NH3+] ZINC000071380117 176144185 /nfs/dbraw/zinc/14/41/85/176144185.db2.gz YWHKSEBETQFCRN-GUTXKFCHSA-N 2 0 281.444 1.741 10 0 CDAERP C[NH+](C)CCN1CCN([C@@]2(C[NH3+])CCCC(C)(C)C2)CC1 ZINC000079980383 177591293 /nfs/dbraw/zinc/59/12/93/177591293.db2.gz GMEZECJZJDRAQG-KRWDZBQOSA-N 2 0 296.503 1.463 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)NCC(C)(C)[NH3+])CC1 ZINC000417946068 227528723 /nfs/dbraw/zinc/52/87/23/227528723.db2.gz YMZPABBQKYSLEY-UHFFFAOYSA-N 2 0 270.421 1.143 10 0 CDAERP COc1cccc([C@H](C)N2CCCO[C@H](C[NH3+])C2)c1 ZINC000313355154 260286659 /nfs/dbraw/zinc/28/66/59/260286659.db2.gz QTTCBCLZDYGUIT-SWLSCSKDSA-N 2 0 264.369 1.806 10 0 CDAERP CO[C@H](C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)C1CCC1 ZINC000662266294 423816162 /nfs/dbraw/zinc/81/61/62/423816162.db2.gz LGYZTODSKBPTRH-LJISPDSOSA-N 2 0 252.402 1.861 10 0 CDAERP C([C@H]1CCOC1)[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662250783 423789602 /nfs/dbraw/zinc/78/96/02/423789602.db2.gz NVYCQPSFFBAFAI-OCCSQVGLSA-N 2 0 266.385 1.008 10 0 CDAERP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3C[C@@H](C(N)=O)C3)CC2)C1 ZINC000651940026 423941652 /nfs/dbraw/zinc/94/16/52/423941652.db2.gz YONHWPKQFCTBQI-UGQVUOCMSA-N 2 0 293.455 1.883 10 0 CDAERP C[NH+](C)CCC[C@@H]1C[N@H+](CCC(C)(C)O)CCO1 ZINC000662319304 423950884 /nfs/dbraw/zinc/95/08/84/423950884.db2.gz GYYWSMOWJOQOGV-CYBMUJFWSA-N 2 0 258.406 1.190 10 0 CDAERP [NH3+][C@H]1CCCCCC[C@H]1C(=O)NCCC1CC[NH2+]CC1 ZINC000653268578 423987387 /nfs/dbraw/zinc/98/73/87/423987387.db2.gz UBUHVNHBNWDGSX-CABCVRRESA-N 2 0 281.444 1.790 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000652214363 424065634 /nfs/dbraw/zinc/06/56/34/424065634.db2.gz BQXJBXSGCOJXNS-DOMZBBRYSA-N 2 0 290.411 1.203 10 0 CDAERP [NH3+]Cc1ccc(CNC(=O)NCCC2(C[NH3+])CC2)cc1 ZINC000652224554 424082377 /nfs/dbraw/zinc/08/23/77/424082377.db2.gz BPFHCPQTMPDPAT-UHFFFAOYSA-N 2 0 276.384 1.074 10 0 CDAERP CN(C(=O)NCC1([NH3+])CCCC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000659571922 424234058 /nfs/dbraw/zinc/23/40/58/424234058.db2.gz NZSSKICOUMCADI-CYBMUJFWSA-N 2 0 280.416 1.136 10 0 CDAERP CC(C)S(=O)(=O)CCCN1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000652354758 424296653 /nfs/dbraw/zinc/29/66/53/424296653.db2.gz HJPDEHKGHUWFSC-KGLIPLIRSA-N 2 0 290.473 1.649 10 0 CDAERP C[N@H+](CCCO)C1CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC000347452968 265129475 /nfs/dbraw/zinc/12/94/75/265129475.db2.gz ZXJWTYQMPYANJY-MRXNPFEDSA-N 2 0 284.444 1.724 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000653126294 424321032 /nfs/dbraw/zinc/32/10/32/424321032.db2.gz RMKKXXCRXPJHEJ-XQLPTFJDSA-N 2 0 279.428 1.495 10 0 CDAERP CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000662702926 424345641 /nfs/dbraw/zinc/34/56/41/424345641.db2.gz DERJEQZBOLLRRQ-HUUCEWRRSA-N 2 0 293.386 1.469 10 0 CDAERP CCC(CC)(C[NH3+])C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655488503 424506314 /nfs/dbraw/zinc/50/63/14/424506314.db2.gz BVWOBLGPXWELRE-TXEJJXNPSA-N 2 0 255.406 1.208 10 0 CDAERP COc1ccc(OC)c(C[NH2+]CC[C@H]2CC[NH2+]C2)c1 ZINC000258899249 270309011 /nfs/dbraw/zinc/30/90/11/270309011.db2.gz DISWMXMUDDBIJK-GFCCVEGCSA-N 2 0 264.369 1.793 10 0 CDAERP CC(C)=CC[N@@H+](C)CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001667567106 1173292216 /nfs/dbraw/zinc/29/22/16/1173292216.db2.gz ZUVLEIOCFHWIKV-MRXNPFEDSA-N 2 0 293.455 1.685 10 0 CDAERP CC(C)[NH2+]CCCNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000515522613 270444392 /nfs/dbraw/zinc/44/43/92/270444392.db2.gz AMHKMHHYPHOEEM-KBPBESRZSA-N 2 0 284.448 1.499 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(CO)ccc3F)C[C@H]21 ZINC000530217860 271159286 /nfs/dbraw/zinc/15/92/86/271159286.db2.gz INFOYYXYAAGWIM-XNRPHZJLSA-N 2 0 278.371 1.877 10 0 CDAERP C1=C(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)COCC1 ZINC000530248615 271183643 /nfs/dbraw/zinc/18/36/43/271183643.db2.gz NHKQXPKRJQAXBY-INIZCTEOSA-N 2 0 280.412 1.424 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1cnoc1C)[NH+](C)C ZINC001668104963 1173369545 /nfs/dbraw/zinc/36/95/45/1173369545.db2.gz AFLLYBFUOYBUTM-BXUZGUMPSA-N 2 0 296.415 1.308 10 0 CDAERP CC(C)c1ccc(CC[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000263180850 275737800 /nfs/dbraw/zinc/73/78/00/275737800.db2.gz GSTFTHODMBNRBQ-CVEARBPZSA-N 2 0 262.397 1.522 10 0 CDAERP CC(C)[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000367925709 276024482 /nfs/dbraw/zinc/02/44/82/276024482.db2.gz MQDPTICXBWMXFF-NUEKZKHPSA-N 2 0 266.429 1.952 10 0 CDAERP CC1(C)CCC[N@@H+]1CCN[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423158833 278220080 /nfs/dbraw/zinc/22/00/80/278220080.db2.gz DNYUWWNMZXGOPL-GJZGRUSLSA-N 2 0 281.444 1.217 10 0 CDAERP C[C@@H](O)C[NH+]1CCC(C[NH2+]Cc2ccncc2)CC1 ZINC000069349867 278395751 /nfs/dbraw/zinc/39/57/51/278395751.db2.gz OMZOXCLFGCBXFS-CYBMUJFWSA-N 2 0 263.385 1.264 10 0 CDAERP CC[NH+]1CCC(CC[NH2+][C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000422780971 279257154 /nfs/dbraw/zinc/25/71/54/279257154.db2.gz ICRLRDCIYFMZIH-GJZGRUSLSA-N 3 0 253.434 1.825 10 0 CDAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1C[NH2+]CCC1(F)F ZINC000415005266 279368002 /nfs/dbraw/zinc/36/80/02/279368002.db2.gz RJFURFFXCYYACK-AGIUHOORSA-N 2 0 275.387 1.884 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000462015554 279374299 /nfs/dbraw/zinc/37/42/99/279374299.db2.gz QLEWLCDLWSSIDQ-RRFJBIMHSA-N 2 0 298.475 1.839 10 0 CDAERP CC(C)[C@H](CN[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)[NH+]1CCCC1 ZINC000422968770 280254645 /nfs/dbraw/zinc/25/46/45/280254645.db2.gz XOCOOFBXMVVXBL-ULQDDVLXSA-N 2 0 295.471 1.463 10 0 CDAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000522145127 281088864 /nfs/dbraw/zinc/08/88/64/281088864.db2.gz IUMITZNEZWTCEN-HZPDHXFCSA-N 2 0 289.423 1.227 10 0 CDAERP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527633623 281163649 /nfs/dbraw/zinc/16/36/49/281163649.db2.gz WAZBBQOUHYJWFV-BPUTZDHNSA-N 2 0 265.445 1.648 10 0 CDAERP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527633624 281163667 /nfs/dbraw/zinc/16/36/67/281163667.db2.gz WAZBBQOUHYJWFV-KBMXLJTQSA-N 2 0 265.445 1.648 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000418588519 288321677 /nfs/dbraw/zinc/32/16/77/288321677.db2.gz HWZZODIHPFDOGK-KGLIPLIRSA-N 2 0 296.459 1.406 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000418597800 288321835 /nfs/dbraw/zinc/32/18/35/288321835.db2.gz PZBYSDXYLZKYKX-ILXRZTDVSA-N 2 0 294.443 1.254 10 0 CDAERP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)c1ccc(NC(N)=O)cc1 ZINC000400494866 289992357 /nfs/dbraw/zinc/99/23/57/289992357.db2.gz HCHCQQMVDQXZJH-GMXVVIOVSA-N 2 0 276.384 1.826 10 0 CDAERP C[NH+](C)C1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000261924192 289066349 /nfs/dbraw/zinc/06/63/49/289066349.db2.gz ZDQQUAMNWBRNDU-WCQYABFASA-N 2 0 253.390 1.057 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)CC(F)(F)F)[C@@H](C)C1 ZINC000253296415 289341660 /nfs/dbraw/zinc/34/16/60/289341660.db2.gz SFLAWWGWCKPMFR-SRVKXCTJSA-N 2 0 282.350 1.962 10 0 CDAERP O[C@H](C[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)C[NH+]1CCCC1 ZINC000403479771 289443862 /nfs/dbraw/zinc/44/38/62/289443862.db2.gz RKMWIDLIEOLHBX-LXTVHRRPSA-N 2 0 252.402 1.469 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCC2(CO)CC2)[C@@H]2CCC[C@H]21 ZINC000453340410 290216995 /nfs/dbraw/zinc/21/69/95/290216995.db2.gz KZMOIAXPGYVYEE-MELADBBJSA-N 2 0 252.402 1.611 10 0 CDAERP CC[C@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)[C@H]1CC1(C)C ZINC000557256532 290339031 /nfs/dbraw/zinc/33/90/31/290339031.db2.gz GGFURFNERKMCDT-ZNMIVQPWSA-N 2 0 283.460 1.009 10 0 CDAERP Cc1cc(C)n2c(CN[C@H]3CCCC[NH2+]C3)cnc2n1 ZINC000562747954 293190562 /nfs/dbraw/zinc/19/05/62/293190562.db2.gz AHUWSTRFECEAQI-ZDUSSCGKSA-N 2 0 273.384 1.578 10 0 CDAERP C[C@@H]1CN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CC[C@H]1[NH3+] ZINC000563102926 293275028 /nfs/dbraw/zinc/27/50/28/293275028.db2.gz NTZCIZMOSIMMLE-MGPQQGTHSA-N 2 0 267.417 1.447 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000563107186 293276183 /nfs/dbraw/zinc/27/61/83/293276183.db2.gz AMFOLTCWCCUYDP-CHWSQXEVSA-N 2 0 253.390 1.119 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1C[C@@H]([NH3+])C1)C1CCCCC1 ZINC000568515579 294051258 /nfs/dbraw/zinc/05/12/58/294051258.db2.gz XXOHHCDJDDDKAM-TXEJJXNPSA-N 2 0 253.390 1.104 10 0 CDAERP [NH3+]C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000568608514 294066243 /nfs/dbraw/zinc/06/62/43/294066243.db2.gz CEGWEOFGELZFDE-DGAVXFQQSA-N 2 0 265.401 1.104 10 0 CDAERP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(C)(C)c1cnc[nH]1 ZINC000571156046 294377562 /nfs/dbraw/zinc/37/75/62/294377562.db2.gz OQSXYZGWWRUCHB-NSHDSACASA-N 2 0 264.373 1.240 10 0 CDAERP C[NH2+][C@H](C)Cc1noc([C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)n1 ZINC000574571821 295020381 /nfs/dbraw/zinc/02/03/81/295020381.db2.gz PUDSDKRYBJLHCK-KKOKHZNYSA-N 2 0 264.373 1.813 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000261797553 295272250 /nfs/dbraw/zinc/27/22/50/295272250.db2.gz QQBIFWNAFDGFED-YIYPIFLZSA-N 2 0 265.401 1.104 10 0 CDAERP [NH3+][C@@H]1CC[C@@H](C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC000262645739 295319511 /nfs/dbraw/zinc/31/95/11/295319511.db2.gz NSLPJWOPTRHQQA-RBSFLKMASA-N 2 0 279.428 1.448 10 0 CDAERP [NH3+][C@H]1CC[C@H](C(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000091540652 295341420 /nfs/dbraw/zinc/34/14/20/295341420.db2.gz HSDQYUNZQVVBAA-STQMWFEESA-N 2 0 265.401 1.201 10 0 CDAERP C[C@@H](F)CC[NH2+]C/C=C/CNC(=O)C12CC[NH+](CC1)C2 ZINC001669139598 1173509025 /nfs/dbraw/zinc/50/90/25/1173509025.db2.gz PQRDNCQUAIHZRE-YWVDXFKGSA-N 2 0 283.391 1.092 10 0 CDAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCCCC[N@H+](C)C1CC1 ZINC000418266223 300000566 /nfs/dbraw/zinc/00/05/66/300000566.db2.gz MXGMHPBEJAYHMP-JSGCOSHPSA-N 2 0 282.432 1.158 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CCCF ZINC001669206567 1173517431 /nfs/dbraw/zinc/51/74/31/1173517431.db2.gz FKVMZCPWNQHJRQ-WSNITJDQSA-N 2 0 285.407 1.482 10 0 CDAERP CCC[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001669444489 1173550639 /nfs/dbraw/zinc/55/06/39/1173550639.db2.gz ZDQIXAKCMQKVTG-CYBMUJFWSA-N 2 0 281.444 1.613 10 0 CDAERP [NH3+][C@H]1CCC[C@@H](NC(=O)N2CCC3(CC[NH2+]C3)CC2)C1 ZINC000334954720 303484366 /nfs/dbraw/zinc/48/43/66/303484366.db2.gz DVVJEPQJAAVEGT-QWHCGFSZSA-N 2 0 280.416 1.041 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001669697814 1173586252 /nfs/dbraw/zinc/58/62/52/1173586252.db2.gz CIMYRGMIBGOSTJ-KGLIPLIRSA-N 2 0 287.423 1.561 10 0 CDAERP CN(CCC[NH2+]CC1CC1)C(=O)C1(C[NH+](C)C)CC1 ZINC001670223518 1173663793 /nfs/dbraw/zinc/66/37/93/1173663793.db2.gz LWNLMMJDTXCMGB-UHFFFAOYSA-N 2 0 267.417 1.176 10 0 CDAERP C[NH+]1CCC(CC(=O)N2CCC[C@H]2C[NH2+]CCCF)CC1 ZINC001671355585 1173678068 /nfs/dbraw/zinc/67/80/68/1173678068.db2.gz ORJXAVARXDTMKR-HNNXBMFYSA-N 2 0 299.434 1.659 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000563875345 316386782 /nfs/dbraw/zinc/38/67/82/316386782.db2.gz MAOCWLPORPPGJS-XQLPTFJDSA-N 2 0 294.443 1.145 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)[C@@H]1n1cccn1 ZINC000576003188 317057459 /nfs/dbraw/zinc/05/74/59/317057459.db2.gz NPCREDBTWWSQBD-QMIVOQANSA-N 2 0 278.400 1.461 10 0 CDAERP CN(C)c1ncc(C[NH2+]Cc2ccc3c[nH+]cn3c2)n1C ZINC000576938063 317233932 /nfs/dbraw/zinc/23/39/32/317233932.db2.gz KMWIOPRANLDWGG-UHFFFAOYSA-N 2 0 284.367 1.424 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000579453159 324188886 /nfs/dbraw/zinc/18/88/86/324188886.db2.gz HRVVBWZRSAIMNV-HOCLYGCPSA-N 2 0 296.459 1.500 10 0 CDAERP CC[NH+](CC)CC[C@H](CO)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000579493067 324205866 /nfs/dbraw/zinc/20/58/66/324205866.db2.gz YNITTWQTHHYFFR-CABCVRRESA-N 2 0 299.459 1.070 10 0 CDAERP [NH3+]Cc1cc(C(=O)NC2CC([NH+]3CCCCC3)C2)ccn1 ZINC000580071009 324358424 /nfs/dbraw/zinc/35/84/24/324358424.db2.gz DSFSNMIPDDTKPV-UHFFFAOYSA-N 2 0 288.395 1.287 10 0 CDAERP [NH3+]CC12CCC(CC1)CN2C(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000583329456 325154011 /nfs/dbraw/zinc/15/40/11/325154011.db2.gz YJMKEEWLLDZUTO-CRPOECCBSA-N 2 0 299.418 1.431 10 0 CDAERP C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1=CC[NH+](C)CC1 ZINC000583880672 325260180 /nfs/dbraw/zinc/26/01/80/325260180.db2.gz GGJWSSKYYBWAFT-STQMWFEESA-N 2 0 265.401 1.095 10 0 CDAERP C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1[NH2+]CCF ZINC001673934413 1173900075 /nfs/dbraw/zinc/90/00/75/1173900075.db2.gz YHLKZCRASOOQQQ-CABCVRRESA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)C[NH+]1CCN(C2(C3CC3)CC[NH2+]CC2)CC1 ZINC000536953032 330382699 /nfs/dbraw/zinc/38/26/99/330382699.db2.gz HEZMFAQVDHOTFH-UHFFFAOYSA-N 2 0 265.445 1.792 10 0 CDAERP CCCC[NH2+][C@@H](CC)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001267819509 1159605366 /nfs/dbraw/zinc/60/53/66/1159605366.db2.gz DVTJWRDRPKISCW-KBPBESRZSA-N 2 0 269.433 1.613 10 0 CDAERP CCCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001482083011 1159977889 /nfs/dbraw/zinc/97/78/89/1159977889.db2.gz ASNRFFVHYMPLDW-OLZOCXBDSA-N 2 0 255.406 1.223 10 0 CDAERP CC(C)OCC[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268801260 1160018556 /nfs/dbraw/zinc/01/85/56/1160018556.db2.gz DSWLJNDXCBXLKK-HNNXBMFYSA-N 2 0 299.459 1.334 10 0 CDAERP [NH3+]C1(CC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000398031611 482216800 /nfs/dbraw/zinc/21/68/00/482216800.db2.gz KFCGAKRCKDLHEA-HNNXBMFYSA-N 2 0 287.407 1.649 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)CC1([NH3+])CC1)c1ccccc1 ZINC000398046160 482221000 /nfs/dbraw/zinc/22/10/00/482221000.db2.gz TWNUJDDIPIUIKI-ZDUSSCGKSA-N 2 0 261.369 1.287 10 0 CDAERP C[N@@H+]1C[C@@H]2CCCN(Cc3ccnn3-c3cc[nH+]cc3)[C@@H]2C1 ZINC000668250002 482256527 /nfs/dbraw/zinc/25/65/27/482256527.db2.gz HXBJCKAFSJZUOY-WMLDXEAASA-N 2 0 297.406 1.793 10 0 CDAERP CCCC[C@@H](C[NH3+])NC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662430095 482318277 /nfs/dbraw/zinc/31/82/77/482318277.db2.gz ULRHYOAOQXJRSA-LBPRGKRZSA-N 2 0 253.390 1.295 10 0 CDAERP CC[NH+](CC)[C@H](CNC(=O)NC/C=C/C[NH3+])CC(C)C ZINC000669042709 482460937 /nfs/dbraw/zinc/46/09/37/482460937.db2.gz VPBPYSNKOIMNFJ-NPQIQWPPSA-N 2 0 284.448 1.557 10 0 CDAERP COC1CCN(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000671750253 482615782 /nfs/dbraw/zinc/61/57/82/482615782.db2.gz RZVWRYMEZUGLAQ-BBWFWOEESA-N 2 0 295.471 1.560 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1C[C@@H]1C ZINC000681105149 482704030 /nfs/dbraw/zinc/70/40/30/482704030.db2.gz WFNSINIICXQLQK-KKUMJFAQSA-N 2 0 281.444 1.517 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000389207466 482811013 /nfs/dbraw/zinc/81/10/13/482811013.db2.gz AYMQSZJFHYEWCG-AWEZNQCLSA-N 2 0 261.369 1.359 10 0 CDAERP CO[C@H]1CCC[C@@H]([NH2+]CCCN2CCC[N@H+](C)CC2)C1 ZINC000684535542 482870091 /nfs/dbraw/zinc/87/00/91/482870091.db2.gz RGDHRFLGMANANT-CVEARBPZSA-N 2 0 283.460 1.561 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000136298141 482907867 /nfs/dbraw/zinc/90/78/67/482907867.db2.gz MVBWEBZGDSTRMS-KBPBESRZSA-N 2 0 269.433 1.741 10 0 CDAERP C[C@@H]([NH3+])CC(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000261532267 482914716 /nfs/dbraw/zinc/91/47/16/482914716.db2.gz AAEUYQWIWUXNHW-OLZOCXBDSA-N 2 0 263.385 1.360 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])[N@@H+]1CCCC[C@H]1C ZINC000261726818 482921127 /nfs/dbraw/zinc/92/11/27/482921127.db2.gz KOFKPZSOYUTYKE-KBUPBQIOSA-N 2 0 281.444 1.741 10 0 CDAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261713827 482921532 /nfs/dbraw/zinc/92/15/32/482921532.db2.gz GJERASLGNAEHJD-APIJFGDWSA-N 2 0 279.428 1.447 10 0 CDAERP CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089462292 483088148 /nfs/dbraw/zinc/08/81/48/483088148.db2.gz VWURDXHUMSELPC-KGLIPLIRSA-N 2 0 267.417 1.162 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000669433250 483093494 /nfs/dbraw/zinc/09/34/94/483093494.db2.gz AGHPVSOXGDGXLH-OAHLLOKOSA-N 2 0 296.459 1.550 10 0 CDAERP CC[C@@H]([NH2+]Cc1ccnn1-c1cc[nH+]cc1)[C@H](C)O ZINC000668218639 483128615 /nfs/dbraw/zinc/12/86/15/483128615.db2.gz RFGRGLAKCRDCEW-SMDDNHRTSA-N 2 0 260.341 1.516 10 0 CDAERP C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1nccn1C ZINC000667255654 483181575 /nfs/dbraw/zinc/18/15/75/483181575.db2.gz VHMVNQRHFFOMCG-RWMBFGLXSA-N 2 0 293.415 1.605 10 0 CDAERP CC(C)[C@@H]([NH3+])CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000669503349 483321734 /nfs/dbraw/zinc/32/17/34/483321734.db2.gz CLHXLPYKYYVBFO-GSPSYOTPSA-N 2 0 282.432 1.284 10 0 CDAERP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]C2CSC2)C1 ZINC000679840660 483450010 /nfs/dbraw/zinc/45/00/10/483450010.db2.gz AKSQJJYELLDMFU-OAHLLOKOSA-N 2 0 278.421 1.458 10 0 CDAERP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)[C@H]1C[C@H]1C ZINC000321971086 483486109 /nfs/dbraw/zinc/48/61/09/483486109.db2.gz ZZNLWFIKSHBTOE-RDBSUJKOSA-N 2 0 253.434 1.647 10 0 CDAERP C[NH2+][C@H](C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000054076116 483606018 /nfs/dbraw/zinc/60/60/18/483606018.db2.gz NBNCCFRFPDAFHX-HIFRSBDPSA-N 2 0 275.396 1.548 10 0 CDAERP CCOCC[NH2+][C@H]1CCCCCN(C(=O)CC[NH+](C)C)C1 ZINC001691629949 1160774060 /nfs/dbraw/zinc/77/40/60/1160774060.db2.gz ZCRXWAUJMSNBEP-HNNXBMFYSA-N 2 0 299.459 1.335 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)C2CCOCC2)O1 ZINC000052481264 519723340 /nfs/dbraw/zinc/72/33/40/519723340.db2.gz LORJUFIWMOXZRM-GJZGRUSLSA-N 2 0 270.417 1.643 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CC[C@@H](C[NH+]2CCN(C)CC2)O1 ZINC000052379560 519746539 /nfs/dbraw/zinc/74/65/39/519746539.db2.gz HBQHOIQXWNNXBK-CABCVRRESA-N 2 0 269.433 1.027 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000061298637 519904893 /nfs/dbraw/zinc/90/48/93/519904893.db2.gz JXYOWWQROGDVOW-LBPRGKRZSA-N 2 0 257.422 1.467 10 0 CDAERP CCC[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000052379502 519947246 /nfs/dbraw/zinc/94/72/46/519947246.db2.gz SMTSPWHPPWKQMB-UHFFFAOYSA-N 2 0 261.413 1.934 10 0 CDAERP CCC[NH2+]Cc1cn(CC[NH+](CCC)CCC)nn1 ZINC000052416790 519961858 /nfs/dbraw/zinc/96/18/58/519961858.db2.gz NYICWWHGXHLJIQ-UHFFFAOYSA-N 2 0 267.421 1.900 10 0 CDAERP CC[NH2+]Cc1cc(CN2CC[NH+](CC)CC2)oc1C ZINC000052422312 519991935 /nfs/dbraw/zinc/99/19/35/519991935.db2.gz KSHRFARORKHMMF-UHFFFAOYSA-N 2 0 265.401 1.835 10 0 CDAERP CC[NH2+]Cc1occc1C[N@H+](CCOC)[C@H](C)COC ZINC000052572347 520031076 /nfs/dbraw/zinc/03/10/76/520031076.db2.gz CJJNTIZMTCSDQP-CYBMUJFWSA-N 2 0 284.400 1.872 10 0 CDAERP CCC[NH2+][C@H](C)C1CC[NH+](C[C@H](O)COCC)CC1 ZINC000069274300 520061290 /nfs/dbraw/zinc/06/12/90/520061290.db2.gz QMEYAXTZTIXICF-HIFRSBDPSA-N 2 0 272.433 1.484 10 0 CDAERP CCC[NH2+][C@H](CN1CC[NH+](C(C)C)CC1)C1CC1 ZINC000069073912 520082614 /nfs/dbraw/zinc/08/26/14/520082614.db2.gz HYUQAAGQWMHREU-OAHLLOKOSA-N 2 0 253.434 1.791 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000061273735 520165266 /nfs/dbraw/zinc/16/52/66/520165266.db2.gz FUXXHBWYGUMCTN-ZIAGYGMSSA-N 2 0 269.433 1.611 10 0 CDAERP CC[NH2+][C@H]1CCC[C@@H]1CN1CCC[C@@H]1C[NH+](C)C ZINC000061653561 520213603 /nfs/dbraw/zinc/21/36/03/520213603.db2.gz XVYRFJYBXKIPGL-KFWWJZLASA-N 2 0 253.434 1.791 10 0 CDAERP CC1(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC[NH2+]CC1 ZINC000062972915 520219708 /nfs/dbraw/zinc/21/97/08/520219708.db2.gz FTGRQVUXTVIIRP-ZDUSSCGKSA-N 2 0 265.401 1.073 10 0 CDAERP CCCC[N@H+](C)CCn1cc(C[NH2+]CC(C)C)nn1 ZINC000052417994 520409394 /nfs/dbraw/zinc/40/93/94/520409394.db2.gz JZNFUELHBIOYPP-UHFFFAOYSA-N 2 0 267.421 1.756 10 0 CDAERP CC[NH+](CC)CCNCC[N@H+](CCOC)[C@H](C)C1CC1 ZINC000053437902 520687579 /nfs/dbraw/zinc/68/75/79/520687579.db2.gz ZERPCWGWEOUBAD-OAHLLOKOSA-N 2 0 285.476 1.665 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)C2CCC([NH3+])CC2)C1 ZINC000062972631 520839476 /nfs/dbraw/zinc/83/94/76/520839476.db2.gz HPJAZTXMGUCUHU-JXQTWKCFSA-N 2 0 267.417 1.447 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@@H](C[NH2+]CCCF)C1CCCC1 ZINC001733386031 1161328771 /nfs/dbraw/zinc/32/87/71/1161328771.db2.gz ABDOSBJBOCBXKT-HNNXBMFYSA-N 2 0 299.434 1.706 10 0 CDAERP CC(C)[NH+]1CCC([C@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001486449558 1161455601 /nfs/dbraw/zinc/45/56/01/1161455601.db2.gz YDHLVEOSVIJNNG-GJZGRUSLSA-N 2 0 295.471 1.953 10 0 CDAERP CN(CC[NH2+]CC1CC1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001714708608 1179350825 /nfs/dbraw/zinc/35/08/25/1179350825.db2.gz JRGHNCNCLIZVMJ-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP C[NH+](C)CCN1CCN(CC2(C[NH3+])CCCCC2)CC1 ZINC000061653749 521764207 /nfs/dbraw/zinc/76/42/07/521764207.db2.gz KLQOWADRBPWFIO-UHFFFAOYSA-N 2 0 282.476 1.075 10 0 CDAERP CC(C)=CC[NH2+]CC1CC(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001717395003 1180645873 /nfs/dbraw/zinc/64/58/73/1180645873.db2.gz YOVSWRYUPQMPJL-UHFFFAOYSA-N 2 0 281.444 1.777 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]C(C)C ZINC001734358365 1183746080 /nfs/dbraw/zinc/74/60/80/1183746080.db2.gz SWLIUHYZBFMFAQ-KGLIPLIRSA-N 2 0 269.433 1.706 10 0 CDAERP CC(=O)N1CCC[N@H+](CCC[C@@H]2CCC[NH2+]2)CC1 ZINC000052764536 519527164 /nfs/dbraw/zinc/52/71/64/519527164.db2.gz VUBPIFVRCBZYRM-AWEZNQCLSA-N 2 0 253.390 1.073 10 0 CDAERP CC(C)[NH+](CCNC(=O)C1(C)CC[NH2+]CC1)C(C)C ZINC000062839473 519646825 /nfs/dbraw/zinc/64/68/25/519646825.db2.gz CWSHMYUFMDXABV-UHFFFAOYSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CC[C@H](CN2CC[NH+](C(C)C)CC2)O1 ZINC000052480125 519724037 /nfs/dbraw/zinc/72/40/37/519724037.db2.gz CRKNKJBMFWBKEO-JKSUJKDBSA-N 2 0 283.460 1.558 10 0 CDAERP CC(C)[NH2+]C[C@]1(CN2CC[C@H]([NH+]3CCCC3)C2)CCOC1 ZINC000062970423 519726375 /nfs/dbraw/zinc/72/63/75/519726375.db2.gz ZPZXXHZOFKSHSO-IRXDYDNUSA-N 2 0 295.471 1.561 10 0 CDAERP CC(C)C[NH+]1CCN([C@H](C[NH3+])C2CCCC2)CC1 ZINC000055077977 519728193 /nfs/dbraw/zinc/72/81/93/519728193.db2.gz LHWNHBPWCJTMMU-OAHLLOKOSA-N 2 0 253.434 1.778 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)Cc2cnn(C)c2)O1 ZINC000052570435 519745292 /nfs/dbraw/zinc/74/52/92/519745292.db2.gz BICRKVHSPICXSS-JKSUJKDBSA-N 2 0 294.443 1.645 10 0 CDAERP CC(C)C[NH2+]Cc1cn(CCOC2CC[NH+](C)CC2)nn1 ZINC000052596730 519748204 /nfs/dbraw/zinc/74/82/04/519748204.db2.gz SYCLTHDRKYWSIG-UHFFFAOYSA-N 2 0 295.431 1.135 10 0 CDAERP CC(C)OC[C@H](O)C[NH+]1CCC(C[NH2+]C(C)(C)C)CC1 ZINC000070100201 519773729 /nfs/dbraw/zinc/77/37/29/519773729.db2.gz PDIAGHLZXWGJQS-OAHLLOKOSA-N 2 0 286.460 1.872 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000052882869 519793379 /nfs/dbraw/zinc/79/33/79/519793379.db2.gz GKHUTJWSKVPTEH-GDBMZVCRSA-N 2 0 277.412 1.563 10 0 CDAERP CC(C)[C@H](C)NC(=O)C[N@H+](CCC[NH3+])C1CCCC1 ZINC000049307618 519812201 /nfs/dbraw/zinc/81/22/01/519812201.db2.gz RRZSXYPITKSFDZ-ZDUSSCGKSA-N 2 0 269.433 1.741 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055139157 519814156 /nfs/dbraw/zinc/81/41/56/519814156.db2.gz IAGIFRMICPLXCN-IHRRRGAJSA-N 2 0 269.433 1.596 10 0 CDAERP CC(C)[C@H](CNC(=O)[C@H](C[NH3+])c1ccccc1)[NH+](C)C ZINC000061612632 519815683 /nfs/dbraw/zinc/81/56/83/519815683.db2.gz JKPCIWWRYSPWNI-CABCVRRESA-N 2 0 277.412 1.431 10 0 CDAERP CCC[NH+]1CCC(C[NH3+])(N2CC[NH+]([C@H](C)CC)CC2)CC1 ZINC000055064726 519842316 /nfs/dbraw/zinc/84/23/16/519842316.db2.gz XRWXFMMEPBCAPN-MRXNPFEDSA-N 3 0 296.503 1.606 10 0 CDAERP CCC[NH2+]CC1(CN2CCC[C@H]2C[NH+](C)C)CCOCC1 ZINC000061653715 519910902 /nfs/dbraw/zinc/91/09/02/519910902.db2.gz KTKKFSKURPZVMQ-INIZCTEOSA-N 2 0 297.487 1.809 10 0 CDAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C[C@@H]1CCC[N@H+](C)C1 ZINC000054628920 519911246 /nfs/dbraw/zinc/91/12/46/519911246.db2.gz NDSDBBLKXCWKKU-WZYMTQMTSA-N 2 0 265.445 1.933 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2cnn(C)c2)O1 ZINC000052570424 519936775 /nfs/dbraw/zinc/93/67/75/519936775.db2.gz INZUVRGXIKMLET-CABCVRRESA-N 2 0 280.416 1.399 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@H](C[N@@H+]2CCCSCC2)O1 ZINC000052371146 519981944 /nfs/dbraw/zinc/98/19/44/519981944.db2.gz DXIKTZPEDMNUMA-CHWSQXEVSA-N 2 0 258.431 1.582 10 0 CDAERP CC[NH2+]Cc1cc(C[N@H+](C)[C@@H]2CCSC2)on1 ZINC000052453300 519988174 /nfs/dbraw/zinc/98/81/74/519988174.db2.gz OPPRIMVMYVPSFR-LLVKDONJSA-N 2 0 255.387 1.721 10 0 CDAERP CCC[NH2+][C@H](CC)[C@@H](C)N1CCN(CC[NH+](C)C)CC1 ZINC000061644035 520067555 /nfs/dbraw/zinc/06/75/55/520067555.db2.gz QYCWMRMBFNXBGU-HZPDHXFCSA-N 2 0 284.492 1.332 10 0 CDAERP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N1CCN(CC[NH+](C)C)CC1 ZINC000061644016 520122491 /nfs/dbraw/zinc/12/24/91/520122491.db2.gz TUIWYNUUKADSGK-ZACQAIPSSA-N 2 0 296.503 1.332 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000061271842 520163801 /nfs/dbraw/zinc/16/38/01/520163801.db2.gz DTYWVYVEMAMNLO-OAHLLOKOSA-N 2 0 291.439 1.965 10 0 CDAERP CCCC[N@H+](CCn1cc(C[NH2+]C2CC2)nn1)C1CC1 ZINC000052512534 520541185 /nfs/dbraw/zinc/54/11/85/520541185.db2.gz AVHDBNFVTBWEFO-UHFFFAOYSA-N 2 0 277.416 1.795 10 0 CDAERP CC[NH+](CC)CCCNC(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050940035 520611772 /nfs/dbraw/zinc/61/17/72/520611772.db2.gz RJYYKIQUBXPCRL-CQSZACIVSA-N 2 0 269.433 1.757 10 0 CDAERP CCC[C@@H](C)[NH2+]C[C@H](C)N1CCN(CC[NH+](C)C)CC1 ZINC000061655338 520666608 /nfs/dbraw/zinc/66/66/08/520666608.db2.gz RNEOQJLUOFOTQD-CVEARBPZSA-N 2 0 284.492 1.332 10 0 CDAERP CCC[C@@H](C)[C@@H](C[NH3+])N1CC[NH+](CC2CC2)CC1 ZINC000049953102 520668131 /nfs/dbraw/zinc/66/81/31/520668131.db2.gz KJPUGUNHGHCWOW-UKRRQHHQSA-N 2 0 253.434 1.778 10 0 CDAERP CC1(C[NH+]2CCN(c3nccs3)CC2)CC[NH2+]CC1 ZINC000062841633 520701242 /nfs/dbraw/zinc/70/12/42/520701242.db2.gz HAQXWOWLYXSTMK-UHFFFAOYSA-N 2 0 280.441 1.655 10 0 CDAERP CC[NH+](CC)CCc1ncc(C[NH2+]C(C)C)cn1 ZINC000054856091 520712988 /nfs/dbraw/zinc/71/29/88/520712988.db2.gz MXCNFCOIDABLST-UHFFFAOYSA-N 2 0 250.390 1.859 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(CC[NH2+][C@@H](C)C2CC2)C1 ZINC000062974371 520846811 /nfs/dbraw/zinc/84/68/11/520846811.db2.gz BAJRBSHJWTVFLM-DZGCQCFKSA-N 2 0 253.434 1.791 10 0 CDAERP CC[N@H+](CCO)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052182128 521099475 /nfs/dbraw/zinc/09/94/75/521099475.db2.gz XKDGMQXDLMOECI-UHFFFAOYSA-N 2 0 272.433 1.486 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]([NH3+])c1ccccc1 ZINC000061644885 521831551 /nfs/dbraw/zinc/83/15/51/521831551.db2.gz LKMYJKFTDSHPKT-UONOGXRCSA-N 2 0 261.369 1.239 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1c1cc(C[NH2+]C2CC2)ccn1 ZINC000061654268 521843850 /nfs/dbraw/zinc/84/38/50/521843850.db2.gz JVNJZEZCILTUST-HNNXBMFYSA-N 2 0 274.412 1.864 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1c1cccc(C[NH2+]C2CC2)n1 ZINC000061654349 521845551 /nfs/dbraw/zinc/84/55/51/521845551.db2.gz QJXMQEYFXANYTE-HNNXBMFYSA-N 2 0 274.412 1.864 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C[C@@](C)([NH3+])c1ccccc1 ZINC000061652455 521869623 /nfs/dbraw/zinc/86/96/23/521869623.db2.gz FQERBPOEDNJLHI-HZPDHXFCSA-N 2 0 261.413 1.887 10 0 CDAERP COCC[C@@](C)(C[NH3+])N1CC[NH+](CC(C)C)CC1 ZINC000055078088 521892860 /nfs/dbraw/zinc/89/28/60/521892860.db2.gz OIIICXCPJXNOMG-AWEZNQCLSA-N 2 0 257.422 1.014 10 0 CDAERP COCC[C@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000052792189 521949135 /nfs/dbraw/zinc/94/91/35/521949135.db2.gz NNVRREUDMKCENU-HNNXBMFYSA-N 2 0 291.395 1.585 10 0 CDAERP C[NH2+]C[C@H](C)CN1CCC([NH+]2CCCCC2)CC1 ZINC000052484186 522071212 /nfs/dbraw/zinc/07/12/12/522071212.db2.gz HQTMUSLPCYWQEI-AWEZNQCLSA-N 2 0 253.434 1.792 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(CC2(C[NH2+]C)CCOCC2)CC1 ZINC000055072787 522119067 /nfs/dbraw/zinc/11/90/67/522119067.db2.gz JJKGJXKKFCWJHX-OAHLLOKOSA-N 2 0 283.460 1.419 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(c2ccc(C[NH2+]C)cn2)CC1 ZINC000055073380 522133577 /nfs/dbraw/zinc/13/35/77/522133577.db2.gz XZNLQTLCVLZPQF-CYBMUJFWSA-N 2 0 262.401 1.722 10 0 CDAERP C[NH2+][C@H]1c2ccccc2C[C@H]1N1CCC[C@@H]1C[NH+](C)C ZINC000061643447 522509605 /nfs/dbraw/zinc/50/96/05/522509605.db2.gz VAYPYMLXOHELLS-OIISXLGYSA-N 2 0 273.424 1.898 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCn1cc(C[NH2+]C)nn1 ZINC000052447615 523173350 /nfs/dbraw/zinc/17/33/50/523173350.db2.gz KTFLXTYOVIQSQK-CYBMUJFWSA-N 2 0 251.378 1.262 10 0 CDAERP COCCN(C)C1(C[NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000048924400 523573554 /nfs/dbraw/zinc/57/35/54/523573554.db2.gz ODAYTYFBOXBRDT-UHFFFAOYSA-N 2 0 291.439 1.558 10 0 CDAERP CCn1nccc1CC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000338547585 523717685 /nfs/dbraw/zinc/71/76/85/523717685.db2.gz UUYCDPUPPWHJKZ-ZDUSSCGKSA-N 2 0 250.390 1.329 10 0 CDAERP CCn1nccc1CC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000338547584 523718609 /nfs/dbraw/zinc/71/86/09/523718609.db2.gz UUYCDPUPPWHJKZ-CYBMUJFWSA-N 2 0 250.390 1.329 10 0 CDAERP COCC[N@H+](Cc1ccnc(C[NH3+])c1)[C@H](C)COC ZINC000068750223 523768378 /nfs/dbraw/zinc/76/83/78/523768378.db2.gz VHXJZWUWASNYNQ-GFCCVEGCSA-N 2 0 267.373 1.024 10 0 CDAERP CCc1ccc(C[NH2+]CCN2CC[NH+](C)CC2)s1 ZINC000051718473 523940508 /nfs/dbraw/zinc/94/05/08/523940508.db2.gz NCPDBFPOGYGDTM-UHFFFAOYSA-N 2 0 267.442 1.648 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)c2cccc(CC[NH3+])c2)CC1 ZINC000055064290 523951470 /nfs/dbraw/zinc/95/14/70/523951470.db2.gz FBFICRAGQKCVQB-AWEZNQCLSA-N 2 0 289.423 1.744 10 0 CDAERP CC[C@H](C)[NH+]1CCN(CCC[NH2+]CCOC)CC1 ZINC000055075164 523953457 /nfs/dbraw/zinc/95/34/57/523953457.db2.gz KGVCRMXQGBWPFT-AWEZNQCLSA-N 2 0 257.422 1.029 10 0 CDAERP CN(C)C(=O)CCC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063200310 523976458 /nfs/dbraw/zinc/97/64/58/523976458.db2.gz KDQWDNJSZANOQH-AWEZNQCLSA-N 2 0 267.417 1.319 10 0 CDAERP COc1cccc([C@@H]([NH3+])CN2CCC[C@@H]2C[NH+](C)C)c1 ZINC000061643517 524097972 /nfs/dbraw/zinc/09/79/72/524097972.db2.gz VEQJIFLHHQPTTI-ZBFHGGJFSA-N 2 0 277.412 1.721 10 0 CDAERP C[C@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000055131584 524143990 /nfs/dbraw/zinc/14/39/90/524143990.db2.gz UKFLYQIJBYCROY-REWJHTLYSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@@H](C(=O)N1[C@H](C)C[NH2+]C[C@@H]1C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000069133136 524148820 /nfs/dbraw/zinc/14/88/20/524148820.db2.gz HVJKWOXAJWCMDL-YHQUGGNUSA-N 2 0 267.417 1.457 10 0 CDAERP C[C@H](C[NH+]1CCCC1)NC(=O)CC[NH2+]C(C)(C)C ZINC000049184813 524313065 /nfs/dbraw/zinc/31/30/65/524313065.db2.gz CILIKNYITNMQBK-GFCCVEGCSA-N 2 0 255.406 1.365 10 0 CDAERP C[C@H](C[NH+]1CCCC1)N1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602497 524313890 /nfs/dbraw/zinc/31/38/90/524313890.db2.gz LCDINUCREWZXNP-FFHGMXDLSA-N 2 0 251.418 1.815 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCC[C@H](CC[NH3+])C1)[NH+](C)C ZINC000055161792 524441590 /nfs/dbraw/zinc/44/15/90/524441590.db2.gz QCJZMEVYRDUFMB-JHJVBQTASA-N 2 0 255.406 1.208 10 0 CDAERP C[C@@H](CC[NH+](C)C)NC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000049559686 524472672 /nfs/dbraw/zinc/47/26/72/524472672.db2.gz HYUGKJVEOFEJTK-XDQVBPFNSA-N 2 0 267.417 1.364 10 0 CDAERP Cc1ccc(C[NH2+]CCN2CCC[NH2+]CC2)s1 ZINC000061275788 524576323 /nfs/dbraw/zinc/57/63/23/524576323.db2.gz GUDMZNIQSUSCJH-UHFFFAOYSA-N 2 0 253.415 1.441 10 0 CDAERP Cc1cc(CN2CC[NH+](C(C)(C)C)CC2)oc1C[NH3+] ZINC000052571645 524694143 /nfs/dbraw/zinc/69/41/43/524694143.db2.gz MJCPOXSKUDLHTK-UHFFFAOYSA-N 2 0 265.401 1.963 10 0 CDAERP C[C@H]1C[C@@H]([NH3+])CC[C@@H]1C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000055134957 524788087 /nfs/dbraw/zinc/78/80/87/524788087.db2.gz XMHKDFDRSYJRMO-QEJZJMRPSA-N 2 0 281.444 1.550 10 0 CDAERP COc1cccc(N2CC[NH+]([C@H](C)CCC[NH3+])CC2)c1 ZINC000052423700 526155162 /nfs/dbraw/zinc/15/51/62/526155162.db2.gz MZGRHYJVYRRBBB-CQSZACIVSA-N 2 0 277.412 1.945 10 0 CDAERP [NH3+]C[C@@H](c1cc(F)c(F)c(F)c1)N1CC[NH+](C2CC2)CC1 ZINC000062710729 527206416 /nfs/dbraw/zinc/20/64/16/527206416.db2.gz XBZIHYWIMQXADT-AWEZNQCLSA-N 2 0 299.340 1.884 10 0 CDAERP [NH3+]Cc1ncccc1CN1CC[NH+](C2CCCC2)CC1 ZINC000061656939 527265644 /nfs/dbraw/zinc/26/56/44/527265644.db2.gz OUJPIHSJTDTCNX-UHFFFAOYSA-N 2 0 274.412 1.601 10 0 CDAERP CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420295790 535470482 /nfs/dbraw/zinc/47/04/82/535470482.db2.gz ASYNLPBGFQPLQL-UONOGXRCSA-N 2 0 267.417 1.319 10 0 CDAERP CN(CC[N@H+](C)C1CC1)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418420366 536365465 /nfs/dbraw/zinc/36/54/65/536365465.db2.gz AVJFQXOKNIFPIX-HNNXBMFYSA-N 2 0 290.411 1.422 10 0 CDAERP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccoc2)CC1 ZINC000727466203 574584614 /nfs/dbraw/zinc/58/46/14/574584614.db2.gz ZGKHFLFNOIVDEJ-ZDUSSCGKSA-N 2 0 251.374 1.395 10 0 CDAERP C[NH+](C)C1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC000729681691 574820597 /nfs/dbraw/zinc/82/05/97/574820597.db2.gz JALCJXGLUQBGLU-UHFFFAOYSA-N 2 0 281.444 1.805 10 0 CDAERP Cc1nn(C)c2sc([C@@H]3C[C@@H](C[NH3+])CC[NH2+]3)cc12 ZINC000757215036 574907017 /nfs/dbraw/zinc/90/70/17/574907017.db2.gz MXNKQOGDTLHURU-ONGXEEELSA-N 2 0 264.398 1.943 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001688909745 1175064684 /nfs/dbraw/zinc/06/46/84/1175064684.db2.gz DLTGVNMIMMFVBN-GASCZTMLSA-N 2 0 281.444 1.779 10 0 CDAERP CCCCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001690221728 1175407207 /nfs/dbraw/zinc/40/72/07/1175407207.db2.gz QYHLKLAFXMBOHN-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP COCCOCCC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925518535 617428090 /nfs/dbraw/zinc/42/80/90/617428090.db2.gz JCEUSLMTDKNXDO-QWHCGFSZSA-N 2 0 258.406 1.535 10 0 CDAERP C[C@@H]1CCC[N@H+](CCN[C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925550990 617498830 /nfs/dbraw/zinc/49/88/30/617498830.db2.gz OTMYYLRFFJAETG-MGPQQGTHSA-N 2 0 251.418 1.578 10 0 CDAERP C[C@@H]1[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CO[C@H]1C ZINC000925554433 617503367 /nfs/dbraw/zinc/50/33/67/617503367.db2.gz ACAWXCSEJKEGKR-RHMLRGBNSA-N 2 0 282.428 1.377 10 0 CDAERP CCNC(=O)N1CC[C@H]([NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000925586429 617534181 /nfs/dbraw/zinc/53/41/81/617534181.db2.gz DNHSHCQRUYQABA-CRWXNKLISA-N 2 0 294.443 1.156 10 0 CDAERP CNC(=O)C(C)(C)C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925606364 617548740 /nfs/dbraw/zinc/54/87/40/617548740.db2.gz IWCJSIKMGINZKJ-UONOGXRCSA-N 2 0 281.444 1.517 10 0 CDAERP OC[C@H]1CC[C@H]([NH2+][C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925616090 617560833 /nfs/dbraw/zinc/56/08/33/617560833.db2.gz QKQYCJXXCRGJCI-IHRRRGAJSA-N 2 0 252.402 1.802 10 0 CDAERP C[C@H](CNC(=O)N[C@H]1C[NH2+]CC[C@H]1C)[NH+]1CCCCC1 ZINC000841726885 620727688 /nfs/dbraw/zinc/72/76/88/620727688.db2.gz VSQMYJPJNWFIIQ-MCIONIFRSA-N 2 0 282.432 1.158 10 0 CDAERP CC(=O)N1CCC[C@H](C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925661296 617606224 /nfs/dbraw/zinc/60/62/24/617606224.db2.gz CXIRPJYVCHKLKV-RBSFLKMASA-N 2 0 281.444 1.741 10 0 CDAERP Cc1nnc(CC[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)o1 ZINC000931684216 617643229 /nfs/dbraw/zinc/64/32/29/617643229.db2.gz PLYWIWGUKPNEFJ-GFCCVEGCSA-N 2 0 287.367 1.526 10 0 CDAERP CC1(C)[C@H]([NH2+]C2CCC([NH3+])CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925692523 617701120 /nfs/dbraw/zinc/70/11/20/617701120.db2.gz LZRJLNNZBUCDNY-MYXTYHMWSA-N 3 0 251.418 1.623 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000925790383 617716196 /nfs/dbraw/zinc/71/61/96/617716196.db2.gz HWADMVUVWIWEGL-QKEWWQLBSA-N 2 0 280.334 1.668 10 0 CDAERP COCC1(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC[NH2+]CC1 ZINC000925698118 617734658 /nfs/dbraw/zinc/73/46/58/617734658.db2.gz BXNRTLOCCVYQTC-ZIAGYGMSSA-N 3 0 283.460 1.498 10 0 CDAERP CS(=O)(=O)C1CCC(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000925803067 617738446 /nfs/dbraw/zinc/73/84/46/617738446.db2.gz VCGZBGNUOMPBQL-FKZOYECMSA-N 2 0 288.457 1.307 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925810277 617752224 /nfs/dbraw/zinc/75/22/24/617752224.db2.gz YLOOAPLQPSBBDD-BHYGNILZSA-N 3 0 297.487 1.888 10 0 CDAERP CN1C[C@H](CC[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1=O ZINC000925813257 617759172 /nfs/dbraw/zinc/75/91/72/617759172.db2.gz RAOPKSGKLXZVFI-VNQPRFMTSA-N 2 0 293.455 1.613 10 0 CDAERP CO[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)[C@H]1CCOC1 ZINC000925713158 617816237 /nfs/dbraw/zinc/81/62/37/617816237.db2.gz KECAFZFQEPSYHH-IGQOVBAYSA-N 2 0 270.417 1.534 10 0 CDAERP CC[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)[C@@H]1CCOC1 ZINC000925845027 617879257 /nfs/dbraw/zinc/87/92/57/617879257.db2.gz WFFNNOILZMYZTR-KBUPBQIOSA-N 2 0 252.402 1.923 10 0 CDAERP C[C@@H]([NH2+][C@H]1CNOC1)c1cccc(OCC[NH+](C)C)c1 ZINC000925868175 617922227 /nfs/dbraw/zinc/92/22/27/617922227.db2.gz ORTQDJJHFKDCEW-OCCSQVGLSA-N 2 0 279.384 1.181 10 0 CDAERP CC1(C)[C@@H]([NH2+]CCO[C@H]2CCOC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925875352 617943987 /nfs/dbraw/zinc/94/39/87/617943987.db2.gz RMVXPIXLIQSMIX-CRWXNKLISA-N 2 0 268.401 1.158 10 0 CDAERP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925877715 617954986 /nfs/dbraw/zinc/95/49/86/617954986.db2.gz VJHKGNZIQRYEBR-XQQFMLRXSA-N 2 0 255.406 1.350 10 0 CDAERP [NH3+][C@@H](CCN[C@@H]1CC[NH2+]C12CCC2)Cc1ccccc1 ZINC000925726573 617966368 /nfs/dbraw/zinc/96/63/68/617966368.db2.gz UDJTZNLSXCWMJG-JKSUJKDBSA-N 2 0 273.424 1.821 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2c3ccccc3CC[C@H]2O)C1 ZINC000925890318 617980813 /nfs/dbraw/zinc/98/08/13/617980813.db2.gz OEVIDUUBHXJVOE-XOUADPBQSA-N 2 0 260.381 1.894 10 0 CDAERP C[C@@H](CN1CCCC1=O)[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925506420 618186418 /nfs/dbraw/zinc/18/64/18/618186418.db2.gz RBXPFHKMYVTFFU-MYZSUADSSA-N 2 0 279.428 1.364 10 0 CDAERP COC(=O)c1cncc(C[N@H+](C)CCCCCC[NH3+])c1 ZINC000923423884 618328580 /nfs/dbraw/zinc/32/85/80/618328580.db2.gz COFOUKGOTRPMSX-UHFFFAOYSA-N 2 0 279.384 1.819 10 0 CDAERP O=C1NCC[C@H]2CCC[N@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@H]12 ZINC000923427775 618334647 /nfs/dbraw/zinc/33/46/47/618334647.db2.gz VRYVQRXNSNVQFJ-USNXZVQNSA-N 2 0 291.439 1.508 10 0 CDAERP CC[C@H](C[C@](C)(O)CC)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000924953215 618383910 /nfs/dbraw/zinc/38/39/10/618383910.db2.gz QKYQAMNDDFWEAX-GVDBMIGSSA-N 2 0 299.503 1.789 10 0 CDAERP C[C@@H](C[NH2+][C@H](C1CC1)C1CCOCC1)N1CC[NH+](C)CC1 ZINC000924967305 618486189 /nfs/dbraw/zinc/48/61/89/618486189.db2.gz XDMTZUZNHYUFLO-WMLDXEAASA-N 2 0 295.471 1.417 10 0 CDAERP CC(C)[C@@H]1COCC[C@@H]1[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000924991223 618556217 /nfs/dbraw/zinc/55/62/17/618556217.db2.gz ITVQUMZQZHGBFP-PMPSAXMXSA-N 2 0 283.460 1.273 10 0 CDAERP COC(=O)[C@@H]1[C@H](C[NH2+]Cc2ccc3c[nH+]cn3c2)C1(F)F ZINC000894983897 619183936 /nfs/dbraw/zinc/18/39/36/619183936.db2.gz TUWZIMAGUPRICW-RYUDHWBXSA-N 2 0 295.289 1.478 10 0 CDAERP CC[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cccc(OC)n1 ZINC000925118698 619371689 /nfs/dbraw/zinc/37/16/89/619371689.db2.gz ULUSVMCVCNOSRU-CYBMUJFWSA-N 2 0 293.411 1.588 10 0 CDAERP c1cc(C[NH2+][C@@H]2COC[C@H]2C2CC2)n(-c2cc[nH+]cc2)n1 ZINC000898374954 621520731 /nfs/dbraw/zinc/52/07/31/621520731.db2.gz AYHGBXSQLKVUPG-JKSUJKDBSA-N 2 0 284.363 1.782 10 0 CDAERP C[C@H](NC(=[NH2+])NC[C@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000899266358 622130629 /nfs/dbraw/zinc/13/06/29/622130629.db2.gz SHUQRNHUTRGDPD-WDEREUQCSA-N 2 0 250.390 1.383 10 0 CDAERP C[C@@H](NC(=[NH2+])NCCCC[N@H+](C)C1CC1)C1CC1 ZINC000899272170 622137469 /nfs/dbraw/zinc/13/74/69/622137469.db2.gz AWLWTSJQJHHHTR-LLVKDONJSA-N 2 0 252.406 1.773 10 0 CDAERP O=C(N1CCC([NH+]2CCCCC2)CC1)C12CC[NH+](CC1)C2 ZINC000900364567 622926254 /nfs/dbraw/zinc/92/62/54/622926254.db2.gz PMAYFMMDTXHRKT-UHFFFAOYSA-N 2 0 291.439 1.559 10 0 CDAERP O=C(NCCN1CCSCC1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900674779 623361848 /nfs/dbraw/zinc/36/18/48/623361848.db2.gz ZTUZBUUYWIJKBY-ZIAGYGMSSA-N 2 0 297.468 1.168 10 0 CDAERP CC[NH+](CC)C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000900889031 623610513 /nfs/dbraw/zinc/61/05/13/623610513.db2.gz ZCLHTSRAXAUWTP-AWEZNQCLSA-N 2 0 279.428 1.273 10 0 CDAERP CC[N@@H+]1C[C@H](C)N(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000901271710 624090939 /nfs/dbraw/zinc/09/09/39/624090939.db2.gz OADMMWSPMRWMPB-STQMWFEESA-N 2 0 265.401 1.023 10 0 CDAERP CCCn1cc([C@H](C)[NH2+][C@H]2CCn3ccnc3C2)nn1 ZINC000902964137 625709239 /nfs/dbraw/zinc/70/92/39/625709239.db2.gz SZDBDDOPIWPQHL-RYUDHWBXSA-N 2 0 274.372 1.550 10 0 CDAERP C1CCC([NH+]2CCC([NH2+][C@H]3CCO[C@@]34CCOC4)CC2)C1 ZINC000903107422 625844062 /nfs/dbraw/zinc/84/40/62/625844062.db2.gz UFSHAEIOWQNKFC-DLBZAZTESA-N 2 0 294.439 1.931 10 0 CDAERP CCCNC(=O)C1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903430030 625989535 /nfs/dbraw/zinc/98/95/35/625989535.db2.gz OFQMWPWZUHFJNV-OCCSQVGLSA-N 2 0 267.417 1.352 10 0 CDAERP Cc1noc([C@@H]2CCC[N@@H+](C[C@@H]3C[NH2+]C[C@H]3C)C2)n1 ZINC000903433056 625990917 /nfs/dbraw/zinc/99/09/17/625990917.db2.gz SKWANJLQPYIUIM-RTXFEEFZSA-N 2 0 264.373 1.413 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](CCO)CCc1ccccc1 ZINC000903438330 625992057 /nfs/dbraw/zinc/99/20/57/625992057.db2.gz UTQHWBNPOYYZKI-ZBFHGGJFSA-N 2 0 262.397 1.379 10 0 CDAERP C[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H](C(F)(F)F)O1 ZINC000903439518 625992147 /nfs/dbraw/zinc/99/21/47/625992147.db2.gz JJEXZTFJBXGKHJ-VLEAKVRGSA-N 2 0 266.307 1.765 10 0 CDAERP CC(C)N1C(=O)C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC1(C)C ZINC000903439530 625992282 /nfs/dbraw/zinc/99/22/82/625992282.db2.gz JNYLJDNOCMNDLL-OLZOCXBDSA-N 2 0 267.417 1.445 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000903459521 625994795 /nfs/dbraw/zinc/99/47/95/625994795.db2.gz UZMPHRXYSBQVAJ-XBVQOTNRSA-N 2 0 273.424 1.877 10 0 CDAERP Cc1nsc(N2CCC[N@H+](C[C@@H]3CC[C@H]([NH3+])C3)CC2)n1 ZINC000903445978 625999167 /nfs/dbraw/zinc/99/91/67/625999167.db2.gz PUSBWQISCQGDGI-OLZOCXBDSA-N 2 0 295.456 1.486 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCNCC23CCCCC3)C1 ZINC000903446018 625999180 /nfs/dbraw/zinc/99/91/80/625999180.db2.gz RQAQHZZCQFNXSG-UONOGXRCSA-N 2 0 251.418 1.722 10 0 CDAERP COC[C@H](C[NH+]1CCC2(CC[NH2+]C2)CC1)C(C)C ZINC000903451888 626000822 /nfs/dbraw/zinc/00/08/22/626000822.db2.gz FGVGDHBCCRPMTM-AWEZNQCLSA-N 2 0 254.418 1.981 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000903453510 626001071 /nfs/dbraw/zinc/00/10/71/626001071.db2.gz AHGAWONPNXRLIZ-KBXIAJHMSA-N 3 0 251.418 1.163 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN(CCC[NH3+])CC(F)(F)F ZINC000903482861 626006849 /nfs/dbraw/zinc/00/68/49/626006849.db2.gz WEIJUFYHUZXEJZ-ZJUUUORDSA-N 2 0 253.312 1.055 10 0 CDAERP C[C@H]1CN(C[C@H]2CCC[NH2+]2)CCN1c1cc[nH+]cc1 ZINC000903482460 626006897 /nfs/dbraw/zinc/00/68/97/626006897.db2.gz ILNBSLVRHPXFOG-UONOGXRCSA-N 2 0 260.385 1.344 10 0 CDAERP COCCCCCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903508914 626012593 /nfs/dbraw/zinc/01/25/93/626012593.db2.gz ZOPFHPAZADOXSF-CALCHBBNSA-N 2 0 295.471 1.704 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903542352 626016597 /nfs/dbraw/zinc/01/65/97/626016597.db2.gz SJJMRCMIKZCSGP-YTWAJWBKSA-N 2 0 265.323 1.053 10 0 CDAERP C([C@@H]1CCCC[N@@H+]1C[C@@H]1CCCC[NH2+]C1)N1CCOCC1 ZINC000903735465 626076286 /nfs/dbraw/zinc/07/62/86/626076286.db2.gz AJCLBFIMOAVFLI-SJORKVTESA-N 2 0 295.471 1.563 10 0 CDAERP CCC[NH+](CCC)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903873568 626127646 /nfs/dbraw/zinc/12/76/46/626127646.db2.gz SNNQAMQNFOAMFX-ZDUSSCGKSA-N 2 0 265.405 1.825 10 0 CDAERP O=C1CCCN1[C@H]1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903893034 626134484 /nfs/dbraw/zinc/13/44/84/626134484.db2.gz OVLYIFXGIWREJN-UYTSQGDYSA-N 2 0 291.439 1.604 10 0 CDAERP CCS(=O)(=O)C[C@H](C)[N@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903892887 626134892 /nfs/dbraw/zinc/13/48/92/626134892.db2.gz OJMYODHQIIUOFR-FUDCBSFHSA-N 2 0 288.457 1.272 10 0 CDAERP CC(C)C(C)(C)[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903898434 626137561 /nfs/dbraw/zinc/13/75/61/626137561.db2.gz LWDBEKWIVNUKCE-LBPRGKRZSA-N 2 0 265.405 1.727 10 0 CDAERP CO[C@@H]1CC[C@@H]2OCC[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@@H]2C1 ZINC000903898440 626137632 /nfs/dbraw/zinc/13/76/32/626137632.db2.gz MANXUMPHXVFIBY-RPDHEGIESA-N 2 0 294.439 1.785 10 0 CDAERP C[C@H]1CSCC[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903912500 626144877 /nfs/dbraw/zinc/14/48/77/626144877.db2.gz FWTOPIJTQPWZPM-OLZOCXBDSA-N 2 0 295.456 1.388 10 0 CDAERP [NH3+][C@@H](CC(F)F)CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000903932350 626151980 /nfs/dbraw/zinc/15/19/80/626151980.db2.gz BMJPTOKKUJASPX-OLZOCXBDSA-N 2 0 275.387 1.681 10 0 CDAERP C([NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903935067 626153620 /nfs/dbraw/zinc/15/36/20/626153620.db2.gz LRQYEWNFJPKWPS-YHWKKTPISA-N 2 0 262.397 1.530 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)cnn1C ZINC000903935978 626153697 /nfs/dbraw/zinc/15/36/97/626153697.db2.gz WZIYFINLDUNSHW-BPGGGUHBSA-N 2 0 280.416 1.001 10 0 CDAERP [NH3+]Cc1nc2c(s1)CCN([C@H]1CCC[C@H]([NH3+])C1)C2 ZINC000903945066 626162617 /nfs/dbraw/zinc/16/26/17/626162617.db2.gz PUEFRSGPACJBCM-UWVGGRQHSA-N 2 0 266.414 1.230 10 0 CDAERP COC1CCC([NH2+]C[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000903955729 626166964 /nfs/dbraw/zinc/16/69/64/626166964.db2.gz AULAVCTXIKNJOD-VOMCLLRMSA-N 2 0 262.344 1.778 10 0 CDAERP COc1cccc(C[C@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)n1 ZINC000903955991 626166984 /nfs/dbraw/zinc/16/69/84/626166984.db2.gz DUSDUVBUUZFZBZ-NWDGAFQWSA-N 2 0 299.365 1.856 10 0 CDAERP CC[C@@H]1C[C@H](C[NH2+][C@@H]2CC23CC[NH2+]CC3)CCO1 ZINC000841079841 626196138 /nfs/dbraw/zinc/19/61/38/626196138.db2.gz PKCKZSVMFMJHBU-MGPQQGTHSA-N 2 0 252.402 1.923 10 0 CDAERP C(c1noc([C@@H]2CC23CC[NH2+]CC3)n1)C1CC[NH2+]CC1 ZINC000905314483 626745077 /nfs/dbraw/zinc/74/50/77/626745077.db2.gz QMQSBHREYOSONW-LBPRGKRZSA-N 2 0 276.384 1.469 10 0 CDAERP CCC[C@@](C)([NH3+])c1nc(CC2CC[NH2+]CC2)no1 ZINC000905318714 626746855 /nfs/dbraw/zinc/74/68/55/626746855.db2.gz RGDPEOPTYWWDTO-CYBMUJFWSA-N 2 0 252.362 1.586 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)C2(O)CCCC2)C[C@@H]1C ZINC000905934761 627049632 /nfs/dbraw/zinc/04/96/32/627049632.db2.gz RAILOEGSUTZTBQ-KKUMJFAQSA-N 2 0 284.444 1.457 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC([NH+]2CCCC2)C1 ZINC000912325271 629936812 /nfs/dbraw/zinc/93/68/12/629936812.db2.gz VIUNHWSIBCJUOG-CHWSQXEVSA-N 2 0 265.401 1.166 10 0 CDAERP C[NH+](C)C1(C(=O)N2CCC(C)([NH+](C)C)CC2)CCC1 ZINC000913392932 630468848 /nfs/dbraw/zinc/46/88/48/630468848.db2.gz NCJKVGVOVVNRAQ-UHFFFAOYSA-N 2 0 267.417 1.413 10 0 CDAERP C([C@@H]1CC[N@H+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)C1)[NH+]1CCCC1 ZINC000929695157 630708083 /nfs/dbraw/zinc/70/80/83/630708083.db2.gz GCDGXTREPXHJNG-FZKCQIBNSA-N 2 0 280.412 1.208 10 0 CDAERP C[NH+](C)C1(C)CCC(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC000913738628 630741376 /nfs/dbraw/zinc/74/13/76/630741376.db2.gz ZRIBZQRRBKUTJU-UHFFFAOYSA-N 2 0 279.428 1.461 10 0 CDAERP c1cc(N2CC[NH+](C[C@@H]3CCC4(COC4)O3)CC2)cc[nH+]1 ZINC000929832812 631494401 /nfs/dbraw/zinc/49/44/01/631494401.db2.gz AEYKFACEYQZAPX-HNNXBMFYSA-N 2 0 289.379 1.152 10 0 CDAERP CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000916835901 632087461 /nfs/dbraw/zinc/08/74/61/632087461.db2.gz GAYISGKGQSQHQJ-MGPQQGTHSA-N 2 0 282.432 1.110 10 0 CDAERP C[C@H]1[C@H](NC(=O)NC(C)(C)C[NH+]2CCCC2)CC[N@@H+]1C ZINC000925334212 632873449 /nfs/dbraw/zinc/87/34/49/632873449.db2.gz AYTZTCANNATXHW-QWHCGFSZSA-N 2 0 282.432 1.253 10 0 CDAERP CCCn1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cn1 ZINC000655827769 633159705 /nfs/dbraw/zinc/15/97/05/633159705.db2.gz ZYWDWJVLVIWZEQ-XBXGTLAGSA-N 2 0 250.390 1.723 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001691097716 1158908099 /nfs/dbraw/zinc/90/80/99/1158908099.db2.gz QXNRAEWDKRWWHD-ZIAGYGMSSA-N 2 0 267.417 1.319 10 0 CDAERP CC1CC(C[NH2+]CCN(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001266988337 1159070444 /nfs/dbraw/zinc/07/04/44/1159070444.db2.gz INYHKZNBZTXJEA-SHARSMKWSA-N 2 0 281.444 1.422 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH2+]C/C=C\Cl ZINC001266993995 1159071879 /nfs/dbraw/zinc/07/18/79/1159071879.db2.gz HPRDZVAGEWEBTC-GZTOBOFZSA-N 2 0 261.797 1.173 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001266982000 1159061753 /nfs/dbraw/zinc/06/17/53/1159061753.db2.gz VONBSIOCCLZZLI-CQSZACIVSA-N 2 0 297.443 1.158 10 0 CDAERP CCCC[NH2+]C1CC(N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001725780204 1159279862 /nfs/dbraw/zinc/27/98/62/1159279862.db2.gz CSMKHBVGTMJUND-UHFFFAOYSA-N 2 0 293.455 1.994 10 0 CDAERP CCN(CC[NH2+]CC[C@H](C)F)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001732773913 1160207921 /nfs/dbraw/zinc/20/79/21/1160207921.db2.gz IQABCGKDVALVNV-BFHYXJOUSA-N 2 0 287.423 1.513 10 0 CDAERP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)C[NH+]2CCCC2)co1 ZINC001273182527 1161545456 /nfs/dbraw/zinc/54/54/56/1161545456.db2.gz AJFWNHNVTSZXGQ-LBPRGKRZSA-N 2 0 294.399 1.063 10 0 CDAERP Cn1cncc1Cc1noc(-c2coc(C[NH3+])c2)n1 ZINC000822891611 1164232859 /nfs/dbraw/zinc/23/28/59/1164232859.db2.gz NWEAYPMMHIJTIT-UHFFFAOYSA-N 2 0 259.269 1.113 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001628265271 1166057558 /nfs/dbraw/zinc/05/75/58/1166057558.db2.gz NKRDFKKDBVJEQG-HZSPNIEDSA-N 2 0 269.433 1.563 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001628265273 1166057621 /nfs/dbraw/zinc/05/76/21/1166057621.db2.gz NKRDFKKDBVJEQG-MGPQQGTHSA-N 2 0 269.433 1.563 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC2=CC[N@H+](C)CC2)C1 ZINC001632710341 1166370079 /nfs/dbraw/zinc/37/00/79/1166370079.db2.gz OWEQIRHGLWLOGD-LSDHHAIUSA-N 2 0 279.428 1.485 10 0 CDAERP C[C@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)C1C[NH2+]C1 ZINC000925882306 1166748962 /nfs/dbraw/zinc/74/89/62/1166748962.db2.gz NZLKJWIMTBBWAD-VBNZEHGJSA-N 2 0 259.397 1.243 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC001638901779 1166885357 /nfs/dbraw/zinc/88/53/57/1166885357.db2.gz ZTLTUZGFBPNUHD-CQSZACIVSA-N 2 0 267.417 1.175 10 0 CDAERP CC(C)=CC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001568362925 1168109262 /nfs/dbraw/zinc/10/92/62/1168109262.db2.gz MGKKJESFSJUADV-LSDHHAIUSA-N 2 0 281.444 1.731 10 0 CDAERP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)[C@@H]2C1 ZINC001649358787 1169237992 /nfs/dbraw/zinc/23/79/92/1169237992.db2.gz ITXMZTUOOZRZGK-OTJKEOIZSA-N 2 0 291.439 1.460 10 0 CDAERP CCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001569824135 1170007147 /nfs/dbraw/zinc/00/71/47/1170007147.db2.gz NJUMPCJFRKEPKH-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NC1(C[NH2+]CCF)CCCCC1 ZINC001570793104 1170281484 /nfs/dbraw/zinc/28/14/84/1170281484.db2.gz FGHBWGBZEGXKIV-ZDUSSCGKSA-N 2 0 285.407 1.459 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]CCC(C)(C)C)C1 ZINC001571151930 1170340014 /nfs/dbraw/zinc/34/00/14/1170340014.db2.gz BTAQBEPKPIKFQA-HDJSIYSDSA-N 2 0 283.460 1.859 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H]1CC ZINC001656752345 1171870633 /nfs/dbraw/zinc/87/06/33/1171870633.db2.gz BYXFYWDFMRDQTJ-BFHYXJOUSA-N 2 0 269.433 1.706 10 0 CDAERP CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001661512201 1172400311 /nfs/dbraw/zinc/40/03/11/1172400311.db2.gz YPDMFBZXAHFCMO-MGPQQGTHSA-N 2 0 267.417 1.364 10 0 CDAERP CC1CC(C[NH2+]CCN(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001664369617 1172845718 /nfs/dbraw/zinc/84/57/18/1172845718.db2.gz FADWIYIVRCYCFX-RUXDESIVSA-N 2 0 267.417 1.032 10 0 CDAERP CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001667217868 1173246692 /nfs/dbraw/zinc/24/66/92/1173246692.db2.gz VQSNSAFBKNDDPP-OLZOCXBDSA-N 2 0 255.406 1.173 10 0 CDAERP CC/C=C/CC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001668833374 1173471646 /nfs/dbraw/zinc/47/16/46/1173471646.db2.gz GZVPZFPHFDSGNK-KWFIEDSOSA-N 2 0 293.455 1.945 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]CC ZINC001670118562 1173655761 /nfs/dbraw/zinc/65/57/61/1173655761.db2.gz TVJGHWVGQMYCCD-CYBMUJFWSA-N 2 0 255.406 1.319 10 0 CDAERP CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C2 ZINC001672353438 1173767238 /nfs/dbraw/zinc/76/72/38/1173767238.db2.gz PZKKBAFSDRXFAJ-BTTYYORXSA-N 2 0 267.417 1.317 10 0 CDAERP CC(C)=CC[NH+]1CC([C@@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001675317596 1174101350 /nfs/dbraw/zinc/10/13/50/1174101350.db2.gz JNZNBLPTUZAQSN-CQSZACIVSA-N 2 0 293.455 1.873 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCOC(C)C ZINC001698600291 1175866576 /nfs/dbraw/zinc/86/65/76/1175866576.db2.gz JECWFPVFUZTSGZ-RBSFLKMASA-N 2 0 299.459 1.236 10 0 CDAERP CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)[NH2+]CC1CCC1 ZINC001698603436 1175868143 /nfs/dbraw/zinc/86/81/43/1175868143.db2.gz BEUHJKKCKYDUAY-ZIAGYGMSSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCCO ZINC001698849558 1175962901 /nfs/dbraw/zinc/96/29/01/1175962901.db2.gz SGBWMLGQZVUXPQ-CABCVRRESA-N 2 0 299.459 1.068 10 0 CDAERP CC[N@H+](C)CCN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001698989271 1176017871 /nfs/dbraw/zinc/01/78/71/1176017871.db2.gz SPPSZYBNPMVMJH-ZDUSSCGKSA-N 2 0 255.406 1.271 10 0 CDAERP CC(C)C[N@H+](C)CCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001699001417 1176031182 /nfs/dbraw/zinc/03/11/82/1176031182.db2.gz UKVVEHVAQRSWSL-CQSZACIVSA-N 2 0 269.433 1.374 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(CC)CC[NH2+]CCF ZINC001699185241 1176130256 /nfs/dbraw/zinc/13/02/56/1176130256.db2.gz PLKBGZYBXPGGEL-CYBMUJFWSA-N 2 0 273.396 1.268 10 0 CDAERP CCN(CC[NH2+]CCF)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001699181547 1176130362 /nfs/dbraw/zinc/13/03/62/1176130362.db2.gz OTCQCIWGFMTPQW-ZDUSSCGKSA-N 2 0 273.396 1.267 10 0 CDAERP CCN(CC[NH2+]CC1CCCCC1)C(=O)CC[NH+](C)C ZINC001699200870 1176137722 /nfs/dbraw/zinc/13/77/22/1176137722.db2.gz PVMUTFMRZYJGLA-UHFFFAOYSA-N 2 0 283.460 1.957 10 0 CDAERP CCC[NH2+]C[C@H](NC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001699592043 1176491447 /nfs/dbraw/zinc/49/14/47/1176491447.db2.gz FXFJNDRLZVVSIE-ZDUSSCGKSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)OCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001699736141 1176597346 /nfs/dbraw/zinc/59/73/46/1176597346.db2.gz HJQKBOIOWGCIDC-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@](C)(C[NH2+]CCF)C2)CC[N@@H+]1C ZINC001699837069 1176650632 /nfs/dbraw/zinc/65/06/32/1176650632.db2.gz KKDXQGAQCYUOGU-SQWLQELKSA-N 2 0 299.434 1.514 10 0 CDAERP CC(C)[NH2+]CC[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001700086679 1176743524 /nfs/dbraw/zinc/74/35/24/1176743524.db2.gz JDPMGRYDSFSGAA-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP Cn1cncc1CCC(=O)NCC1([NH2+]CCCF)CCC1 ZINC001700141061 1176767875 /nfs/dbraw/zinc/76/78/75/1176767875.db2.gz XGKNSXOJGAFVTD-UHFFFAOYSA-N 2 0 296.390 1.341 10 0 CDAERP CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001700733452 1177099305 /nfs/dbraw/zinc/09/93/05/1177099305.db2.gz ZFRBIYYHGMJLQB-GXTWGEPZSA-N 2 0 267.417 1.175 10 0 CDAERP CCCC[NH2+][C@H](CO)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001700808405 1177142108 /nfs/dbraw/zinc/14/21/08/1177142108.db2.gz MGULORLXJOBPJQ-GJZGRUSLSA-N 2 0 299.459 1.118 10 0 CDAERP CCCC[N@H+](C)CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001707390196 1178013122 /nfs/dbraw/zinc/01/31/22/1178013122.db2.gz DFOVBUOHRYHWQU-UHFFFAOYSA-N 2 0 281.444 1.853 10 0 CDAERP C[C@@H]1[C@H](C(=O)NCCC[NH+](C)C/C=C/Cl)CC[N@@H+]1C ZINC001712948313 1178262586 /nfs/dbraw/zinc/26/25/86/1178262586.db2.gz WPUDHNGCGVOBCK-SXQWRXASSA-N 2 0 287.835 1.517 10 0 CDAERP CC1CC[NH+](CC(=O)NCCC[N@H+](CCF)C2CC2)CC1 ZINC001713046797 1178330767 /nfs/dbraw/zinc/33/07/67/1178330767.db2.gz VGVXMYUXITUKTM-UHFFFAOYSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)CCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001713302261 1178480855 /nfs/dbraw/zinc/48/08/55/1178480855.db2.gz VAXPZMRGTKWTBI-KGLIPLIRSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cccc(Cl)n1 ZINC001713334399 1178505544 /nfs/dbraw/zinc/50/55/44/1178505544.db2.gz GNZYSBODBAQXSD-LLVKDONJSA-N 2 0 298.818 1.281 10 0 CDAERP C[C@@H](F)CC[NH2+]CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001713610444 1178679791 /nfs/dbraw/zinc/67/97/91/1178679791.db2.gz WUHPFVDMAFMVOE-CYBMUJFWSA-N 2 0 285.407 1.411 10 0 CDAERP CC(C)CC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001713791485 1178755338 /nfs/dbraw/zinc/75/53/38/1178755338.db2.gz DQMWDUGJYYQBEN-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](C[NH2+]C/C=C\Cl)C2)C1 ZINC001714093060 1178968116 /nfs/dbraw/zinc/96/81/16/1178968116.db2.gz ATEMEBFQLMNZDK-VOIRRYAFSA-N 2 0 299.846 1.519 10 0 CDAERP CCCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001714093070 1178968438 /nfs/dbraw/zinc/96/84/38/1178968438.db2.gz AVHMKXAVENYODR-JKSUJKDBSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC1=CCCCC1 ZINC001714499110 1179172612 /nfs/dbraw/zinc/17/26/12/1179172612.db2.gz ILOOUMPGRXTEFC-GOEBONIOSA-N 2 0 293.455 1.923 10 0 CDAERP C[C@H](C[NH2+]C/C=C/Cl)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001714821756 1179411434 /nfs/dbraw/zinc/41/14/34/1179411434.db2.gz IIFVANXELRFEKV-LOWFTVKWSA-N 2 0 287.835 1.517 10 0 CDAERP CCCCC[NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001714860617 1179425161 /nfs/dbraw/zinc/42/51/61/1179425161.db2.gz DCTGIEAECHPOLU-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@H]2CC[NH2+]CC2CC2)C1 ZINC001715448125 1179668725 /nfs/dbraw/zinc/66/87/25/1179668725.db2.gz JJWUQVIPRKERIM-CVEARBPZSA-N 2 0 293.455 1.709 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC/C=C\C[NH2+]C/C=C/Cl)C1 ZINC001715900040 1179904571 /nfs/dbraw/zinc/90/45/71/1179904571.db2.gz SXMGJLUSZSIAJK-VWFIYQCCSA-N 2 0 285.819 1.343 10 0 CDAERP CC[C@@H](F)C[N@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001716037381 1180013356 /nfs/dbraw/zinc/01/33/56/1180013356.db2.gz BXAWYMWWNSBZDJ-VXGBXAGGSA-N 2 0 261.385 1.123 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@H]2CCC[C@H]2C[NH2+]CCCF)CC1 ZINC001716068452 1180030549 /nfs/dbraw/zinc/03/05/49/1180030549.db2.gz ZYXWOLVAMIPLGU-KBPBESRZSA-N 2 0 299.434 1.562 10 0 CDAERP CC(C)C[NH2+]CC[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001716153388 1180073972 /nfs/dbraw/zinc/07/39/72/1180073972.db2.gz JGQZTFZJMVMWQA-AWEZNQCLSA-N 2 0 281.444 1.755 10 0 CDAERP CCC[NH2+]CCN(CC)C(=O)CC[NH+]1CCCCC1 ZINC001716255942 1180122200 /nfs/dbraw/zinc/12/22/00/1180122200.db2.gz JSGORGIGXVEIGZ-UHFFFAOYSA-N 2 0 269.433 1.711 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC/C=C/C[NH2+]CC2CCC2)C1 ZINC001716343855 1180162884 /nfs/dbraw/zinc/16/28/84/1180162884.db2.gz LIHUPBOGYOTPOS-HSWBROFVSA-N 2 0 279.428 1.390 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]C/C=C\Cl)[NH+](C)C ZINC001716460922 1180223315 /nfs/dbraw/zinc/22/33/15/1180223315.db2.gz QIAGOJYNJMFZQW-TWHAFNCTSA-N 2 0 261.797 1.173 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@H](C[NH2+]CCF)C2CCCC2)CCC1 ZINC001716817777 1180424488 /nfs/dbraw/zinc/42/44/88/1180424488.db2.gz OYKVUWJCVCUROV-CQSZACIVSA-N 2 0 299.434 1.705 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](CC[NH2+]CC3CC3)C2)C1 ZINC001717098817 1180530634 /nfs/dbraw/zinc/53/06/34/1180530634.db2.gz IUGGDOOVUZWSDB-GOEBONIOSA-N 2 0 293.455 1.566 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CCCF)C1 ZINC001717291398 1180607226 /nfs/dbraw/zinc/60/72/26/1180607226.db2.gz WYQHHJVQHZWPLI-OLZOCXBDSA-N 2 0 273.396 1.124 10 0 CDAERP CCC[NH2+]CC1CC(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001717394358 1180646189 /nfs/dbraw/zinc/64/61/89/1180646189.db2.gz IQLZQDYMIJAKDD-UHFFFAOYSA-N 2 0 281.444 1.757 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001717413394 1180659497 /nfs/dbraw/zinc/65/94/97/1180659497.db2.gz RYYDZTBOHHFJDW-ZIAGYGMSSA-N 2 0 281.444 1.920 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001723594797 1181590874 /nfs/dbraw/zinc/59/08/74/1181590874.db2.gz IFGYASLUFBRCKV-CQSZACIVSA-N 2 0 281.444 1.899 10 0 CDAERP CC(C)[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001724269239 1181659792 /nfs/dbraw/zinc/65/97/92/1181659792.db2.gz URTUBYPSMIDKLY-DZGCQCFKSA-N 2 0 267.417 1.175 10 0 CDAERP CCCC[NH2+][C@@]1(CO)CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001724906914 1181791386 /nfs/dbraw/zinc/79/13/86/1181791386.db2.gz DVAONJAOJTWZFZ-INIZCTEOSA-N 2 0 299.459 1.071 10 0 CDAERP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1[NH2+]CCCF ZINC001724938779 1181801636 /nfs/dbraw/zinc/80/16/36/1181801636.db2.gz QPNANTFJIRVRKF-KGLIPLIRSA-N 2 0 297.418 1.411 10 0 CDAERP COCCC[NH2+]C1(C)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001724963759 1181809811 /nfs/dbraw/zinc/80/98/11/1181809811.db2.gz VEJJSTBOXUJOQM-UHFFFAOYSA-N 2 0 297.443 1.089 10 0 CDAERP CC[NH2+]CCC[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001725389357 1181985050 /nfs/dbraw/zinc/98/50/50/1181985050.db2.gz LYTANGVEZGICSP-GFCCVEGCSA-N 2 0 255.406 1.365 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001731282857 1182293200 /nfs/dbraw/zinc/29/32/00/1182293200.db2.gz LLOPFQFWUMZUIV-STQMWFEESA-N 2 0 273.396 1.124 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]CCCO ZINC001731292643 1182299390 /nfs/dbraw/zinc/29/93/90/1182299390.db2.gz JWVYNDXINMMDCC-CABCVRRESA-N 2 0 299.459 1.070 10 0 CDAERP CC(C)=CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001731410932 1182370823 /nfs/dbraw/zinc/37/08/23/1182370823.db2.gz KYLZFSAHJMMJHW-CABCVRRESA-N 2 0 279.428 1.389 10 0 CDAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC1=CCCCC1 ZINC001731618068 1182482667 /nfs/dbraw/zinc/48/26/67/1182482667.db2.gz NNIIMWBQSKDKKV-HUUCEWRRSA-N 2 0 293.455 1.923 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H](CC[NH2+]CCF)C2)C1 ZINC001732282878 1182894583 /nfs/dbraw/zinc/89/45/83/1182894583.db2.gz BWQQSOWSAUEMRH-UONOGXRCSA-N 2 0 285.407 1.126 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]CCCF ZINC001732504075 1182990673 /nfs/dbraw/zinc/99/06/73/1182990673.db2.gz KAQDWWSSKXPKQL-CABCVRRESA-N 2 0 299.434 1.801 10 0 CDAERP CCCCC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001732570924 1183015313 /nfs/dbraw/zinc/01/53/13/1183015313.db2.gz SWQBGUUUVYLYQN-LSDHHAIUSA-N 2 0 283.460 1.859 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@@H](CC[NH2+]CC2CCC2)C1 ZINC001733674664 1183494249 /nfs/dbraw/zinc/49/42/49/1183494249.db2.gz RTBOWANPJRCHNC-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP CCCCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001733857307 1183552578 /nfs/dbraw/zinc/55/25/78/1183552578.db2.gz IVLRCUQUMAOBDL-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H]1[C@H]([NH2+]CCCF)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001734399038 1183762609 /nfs/dbraw/zinc/76/26/09/1183762609.db2.gz FTAGHIBSOUANJF-LSDHHAIUSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001734427559 1183775773 /nfs/dbraw/zinc/77/57/73/1183775773.db2.gz ZBNMABHVJZOXNC-GJZGRUSLSA-N 2 0 281.444 1.873 10 0 CDAERP C[NH+]1CCC(NC(=O)[C@@H]2[NH2+]CC[C@H]3CCCC[C@@H]32)CC1 ZINC000312554428 1186700646 /nfs/dbraw/zinc/70/06/46/1186700646.db2.gz UWAASNOTOBLNMB-VHDGCEQUSA-N 2 0 279.428 1.365 10 0 CDAERP CN(CC(=O)N1CC[C@H]([NH+]2CCC2)C1)Cc1ccccc1 ZINC001771924737 1186958735 /nfs/dbraw/zinc/95/87/35/1186958735.db2.gz QCKDMEVEVKNSGB-INIZCTEOSA-N 2 0 287.407 1.425 10 0 CDAERP CCN(C(=O)NC[C@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](CC)C1 ZINC001772430988 1187226533 /nfs/dbraw/zinc/22/65/33/1187226533.db2.gz DRIDTZXAWFRLOR-HUUCEWRRSA-N 2 0 296.459 1.596 10 0 CDAERP CCC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001691875440 1164371150 /nfs/dbraw/zinc/37/11/50/1164371150.db2.gz GGCUSMVCMRPDBH-KBPBESRZSA-N 2 0 267.417 1.319 10 0 CDAERP CC[C@@H]1CCN(C(=[NH2+])NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000864468597 1164550019 /nfs/dbraw/zinc/55/00/19/1164550019.db2.gz LETFEZVKXWOCFC-CQSZACIVSA-N 2 0 295.475 1.269 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)NCc2ccc(CC[NH3+])cc2)C[NH2+]1 ZINC000861639923 790270606 /nfs/dbraw/zinc/27/06/06/790270606.db2.gz YOZKQFPCSLNSKQ-IUODEOHRSA-N 2 0 290.411 1.128 10 0 CDAERP C[C@H](NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)C(C)(C)C[NH+](C)C ZINC000870892061 790273059 /nfs/dbraw/zinc/27/30/59/790273059.db2.gz AUYRHIYGNFLNCA-OXIQGZBJSA-N 2 0 267.417 1.206 10 0 CDAERP C[NH+]1CCN(CCC[NH2+][C@@H]2CCOC23CCCCC3)CC1 ZINC000924579507 790306434 /nfs/dbraw/zinc/30/64/34/790306434.db2.gz XNLWZOQXQLQEFQ-MRXNPFEDSA-N 2 0 295.471 1.705 10 0 CDAERP CCO[C@@H]1C[N@H+](C[C@@H]2CCO[C@@H](CC)C2)C[C@H]1C[NH3+] ZINC000844903871 790320986 /nfs/dbraw/zinc/32/09/86/790320986.db2.gz QPECGBHEAIVAFW-APIJFGDWSA-N 2 0 270.417 1.487 10 0 CDAERP CC(C)C[C@H](C)C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866712020 790424784 /nfs/dbraw/zinc/42/47/84/790424784.db2.gz PTLHPKULIASLJS-YJNKXOJESA-N 2 0 295.427 1.536 10 0 CDAERP CCO[C@@H]1C[N@H+](CCCC(C)(F)F)C[C@H]1C[NH3+] ZINC000718608441 790432104 /nfs/dbraw/zinc/43/21/04/790432104.db2.gz BBTARSJEDYJCBL-GHMZBOCLSA-N 2 0 250.333 1.717 10 0 CDAERP CO[C@H]1C[C@@H](C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000872145873 790458715 /nfs/dbraw/zinc/45/87/15/790458715.db2.gz XNVNIPNPIOWRQR-RBZJEDDUSA-N 2 0 282.428 1.772 10 0 CDAERP C[C@H]1C[C@H]1NC(=[NH2+])NCc1ccccc1OCC[NH+](C)C ZINC000864457835 790516526 /nfs/dbraw/zinc/51/65/26/790516526.db2.gz VBISEQDUWYTBEO-GXTWGEPZSA-N 2 0 290.411 1.649 10 0 CDAERP C[C@H]1C[C@@H]1NC(=[NH2+])NCCC[NH+]1CCCCCC1 ZINC000864452436 790684909 /nfs/dbraw/zinc/68/49/09/790684909.db2.gz QGELZWCQVHWUED-STQMWFEESA-N 2 0 252.406 1.775 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000926149767 790732510 /nfs/dbraw/zinc/73/25/10/790732510.db2.gz YXAGBAWLQIKVTO-KTGAGVNESA-N 2 0 288.435 1.910 10 0 CDAERP C[NH+](C)CC[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)c1cccnc1 ZINC000928828939 790797168 /nfs/dbraw/zinc/79/71/68/790797168.db2.gz CMEHHTJDGPZRDU-GJZGRUSLSA-N 2 0 290.411 1.142 10 0 CDAERP C[C@@H]1C[C@H](C)[N@H+](CCO[C@H]2CCOC2)C[C@H]1C[NH3+] ZINC000724944114 790808854 /nfs/dbraw/zinc/80/88/54/790808854.db2.gz SNXKUIAHAAGYER-RQJABVFESA-N 2 0 256.390 1.097 10 0 CDAERP C[C@@H]([NH2+]C1CC1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000828421280 790837643 /nfs/dbraw/zinc/83/76/43/790837643.db2.gz OYXJDRVHYBMHOX-SNVBAGLBSA-N 2 0 271.324 1.346 10 0 CDAERP CCOC(=O)[C@H](CC)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923451864 790851667 /nfs/dbraw/zinc/85/16/67/790851667.db2.gz QIGYUGRCKKJISW-STQMWFEESA-N 2 0 284.400 1.158 10 0 CDAERP [NH3+]C[C@@H]1C[N@H+](CCOC2CC2)C[C@H]1c1ccccc1 ZINC000711764259 790852554 /nfs/dbraw/zinc/85/25/54/790852554.db2.gz AOPDFIVOWNQKMQ-ZBFHGGJFSA-N 2 0 260.381 1.840 10 0 CDAERP Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cc1F ZINC000923503665 790856942 /nfs/dbraw/zinc/85/69/42/790856942.db2.gz KOEUVIKFPOOVCH-QWHCGFSZSA-N 2 0 293.386 1.989 10 0 CDAERP C[C@H]1C[C@@H]([N@H+](C)C[C@@H](O)CO)CCN1Cc1ccccc1 ZINC000929806229 790905315 /nfs/dbraw/zinc/90/53/15/790905315.db2.gz IMUABNCEBOZPJN-BHYGNILZSA-N 2 0 292.423 1.325 10 0 CDAERP C[NH+](C)CCC[C@H]1CN(CC[NH+]2CCCC2)CCO1 ZINC000852760406 790923628 /nfs/dbraw/zinc/92/36/28/790923628.db2.gz FMTXHAJATMKKPY-HNNXBMFYSA-N 2 0 269.433 1.125 10 0 CDAERP C[N@@H+]1C[C@H]2CCN(C(=O)C3CC[NH+](C4CC4)CC3)[C@H]2C1 ZINC000816950669 791031853 /nfs/dbraw/zinc/03/18/53/791031853.db2.gz XWKIEXQJTFPZJT-HIFRSBDPSA-N 2 0 277.412 1.023 10 0 CDAERP Cc1cc([C@H](C)[NH2+]CCCCCN2CC[NH2+]CC2)nn1C ZINC000925847850 791044873 /nfs/dbraw/zinc/04/48/73/791044873.db2.gz WHCUXBHQKDLTPP-HNNXBMFYSA-N 2 0 293.459 1.455 10 0 CDAERP c1ccc2c(c1)cncc2C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000135650226 791080232 /nfs/dbraw/zinc/08/02/32/791080232.db2.gz XSWFQEODVSVCFT-ZIAGYGMSSA-N 2 0 253.349 1.886 10 0 CDAERP CC(C)C[C@@H]([NH3+])CN1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000705827753 791098519 /nfs/dbraw/zinc/09/85/19/791098519.db2.gz CJKUEACEAHFOOF-BZUAXINKSA-N 3 0 284.492 1.031 10 0 CDAERP C[C@@H]1C[N@H+](CCc2ccc(C(N)=O)cc2)CC[C@@H]1C[NH3+] ZINC000923491041 791105167 /nfs/dbraw/zinc/10/51/67/791105167.db2.gz QJSYHXCDOITZFC-IUODEOHRSA-N 2 0 275.396 1.245 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000926824400 789866464 /nfs/dbraw/zinc/86/64/64/789866464.db2.gz JZQPHSIKDDRBRA-UYCJLYLSSA-N 2 0 264.413 1.874 10 0 CDAERP [NH3+]CCCOC1CC[NH+](C[C@H]2CCC3(CCC3)O2)CC1 ZINC000712494224 789870463 /nfs/dbraw/zinc/87/04/63/789870463.db2.gz FNYHRZJRTKLAPM-OAHLLOKOSA-N 2 0 282.428 1.918 10 0 CDAERP Cc1nccn1CC[N@H+]1CCN(C)c2ncccc2C1 ZINC000872318406 789884386 /nfs/dbraw/zinc/88/43/86/789884386.db2.gz VAGXCBCNQPBMQZ-UHFFFAOYSA-N 2 0 271.368 1.539 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)CC(C)(C)O)C1 ZINC000872204700 789897378 /nfs/dbraw/zinc/89/73/78/789897378.db2.gz BSDXXXAYQLZMAA-HUUCEWRRSA-N 2 0 286.460 1.466 10 0 CDAERP CN(C(=O)NCCC1(C[NH3+])CC1)C1CCC([NH3+])CC1 ZINC000846184414 789907270 /nfs/dbraw/zinc/90/72/70/789907270.db2.gz PAIGMMPFOYZUEH-UHFFFAOYSA-N 2 0 268.405 1.027 10 0 CDAERP [NH3+]Cc1cccc(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000818592203 789942108 /nfs/dbraw/zinc/94/21/08/789942108.db2.gz PGORHZVBIWZDBM-INIZCTEOSA-N 2 0 273.380 1.361 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000825765020 789959148 /nfs/dbraw/zinc/95/91/48/789959148.db2.gz SCRJKBBQLPAJIJ-BZUAXINKSA-N 2 0 293.455 1.804 10 0 CDAERP C[NH+](C)[C@H]1C[C@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1(C)C ZINC000864063898 789967146 /nfs/dbraw/zinc/96/71/46/789967146.db2.gz OAKGDJXLWBSZQP-XEZPLFJOSA-N 2 0 279.428 1.317 10 0 CDAERP C[C@@H]1C[C@@H](C[N@@H+]2CCN(C)C(C)(C)CC2)CC[NH2+]1 ZINC000712648544 790015878 /nfs/dbraw/zinc/01/58/78/790015878.db2.gz NTDCNLHMWVELRN-KGLIPLIRSA-N 2 0 253.434 1.791 10 0 CDAERP COC(=O)[C@]12CCC[C@H]1[N@H+](C[C@@H](O)C[NH+](C)C(C)C)CC2 ZINC000880183952 790026939 /nfs/dbraw/zinc/02/69/39/790026939.db2.gz ODIJZLQTSJLTGY-LZWOXQAQSA-N 2 0 298.427 1.105 10 0 CDAERP C[C@H](CCS(C)(=O)=O)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925560529 790042977 /nfs/dbraw/zinc/04/29/77/790042977.db2.gz MRGOPSGSLMFETN-IJLUTSLNSA-N 2 0 276.446 1.305 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000852873655 790045326 /nfs/dbraw/zinc/04/53/26/790045326.db2.gz BILQPTWXKSKNQS-HNNXBMFYSA-N 2 0 277.412 1.287 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H]2CCN(C3CC3)C2)C1 ZINC000925494109 790057740 /nfs/dbraw/zinc/05/77/40/790057740.db2.gz JKISYMNOCJYRTO-FRRDWIJNSA-N 2 0 251.418 1.719 10 0 CDAERP CC[NH+](CC)[C@H](CNC(=[NH2+])N1CCO[C@@H](C)C1)CC(C)C ZINC000848984103 790072499 /nfs/dbraw/zinc/07/24/99/790072499.db2.gz OLRQTLCOZSFWSB-GJZGRUSLSA-N 2 0 298.475 1.988 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)CC[N@@H+]1C ZINC000921588510 790087151 /nfs/dbraw/zinc/08/71/51/790087151.db2.gz SWVBZUMVOZNBAI-URGYJCLVSA-N 2 0 296.459 1.499 10 0 CDAERP C[NH2+]C[C@@](C)(O)CN1CCC(C)([NH+]2CCCCC2)CC1 ZINC000872146442 790092679 /nfs/dbraw/zinc/09/26/79/790092679.db2.gz NQGBLHSRZLPMBU-MRXNPFEDSA-N 2 0 283.460 1.297 10 0 CDAERP COCC(COC)[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000931684816 790096384 /nfs/dbraw/zinc/09/63/84/790096384.db2.gz VOIIOKPDCATZPN-CYBMUJFWSA-N 2 0 279.384 1.254 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCc2cccc(C(N)=O)c2)C1 ZINC000925592836 790136193 /nfs/dbraw/zinc/13/61/93/790136193.db2.gz JGKWNNCTLUMNHT-HUUCEWRRSA-N 2 0 289.423 1.824 10 0 CDAERP CC[N@H+]1[C@H](C)CN(C(=O)[C@@H]2CCC[NH+]2C)C[C@@H]1C ZINC000880608836 790150762 /nfs/dbraw/zinc/15/07/62/790150762.db2.gz LKDIKMJBNAKMTF-XQQFMLRXSA-N 2 0 253.390 1.022 10 0 CDAERP CCOC(=O)[C@@H]1C[C@H]1CN1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000931074955 790193802 /nfs/dbraw/zinc/19/38/02/790193802.db2.gz GRXMHEOZIVEFTB-SOUVJXGZSA-N 2 0 298.427 1.228 10 0 CDAERP O[C@H](CN1CCC(C[NH+]2CCCC2)CC1)C[NH+]1CCCC1 ZINC000384439790 791192574 /nfs/dbraw/zinc/19/25/74/791192574.db2.gz YNOULXDAVRHSNC-KRWDZBQOSA-N 2 0 295.471 1.251 10 0 CDAERP Cc1cc(C[C@H]2CCC[C@H]2[NH2+]CCC[NH+](C)C)n(C)n1 ZINC000852658112 791252184 /nfs/dbraw/zinc/25/21/84/791252184.db2.gz VPYNXRYIHQGXMH-GDBMZVCRSA-N 2 0 278.444 1.981 10 0 CDAERP O=C1O[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CN1C1CC1 ZINC000848721139 791382110 /nfs/dbraw/zinc/38/21/10/791382110.db2.gz IDLWMHSIRPAQIP-CBBWQLFWSA-N 2 0 293.411 1.480 10 0 CDAERP CON(C)C(=O)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000819111958 791389226 /nfs/dbraw/zinc/38/92/26/791389226.db2.gz AYDWRPPLVZROGG-YHWZYXNKSA-N 2 0 269.389 1.001 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=[NH2+])N1CC[C@@H](CC)C1 ZINC000864458454 791401278 /nfs/dbraw/zinc/40/12/78/791401278.db2.gz ZGKYLRVLBPAPMV-QWHCGFSZSA-N 2 0 254.422 1.973 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](CCOC2CCOCC2)C1 ZINC000866708714 791440757 /nfs/dbraw/zinc/44/07/57/791440757.db2.gz OAJLOQYJWXMKJA-INIZCTEOSA-N 2 0 284.444 1.879 10 0 CDAERP C[C@@H](C[NH+](C)C)NC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868178107 791466254 /nfs/dbraw/zinc/46/62/54/791466254.db2.gz UZUYGAIHBUJDEI-LEWSCRJBSA-N 2 0 276.384 1.573 10 0 CDAERP C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2F)C[C@H]1C[NH3+] ZINC000923412873 791476345 /nfs/dbraw/zinc/47/63/45/791476345.db2.gz YWGIXTHXHRNEKD-JHJVBQTASA-N 2 0 282.359 1.092 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000852896843 791519368 /nfs/dbraw/zinc/51/93/68/791519368.db2.gz CLBXEXGXVREFRO-CABCVRRESA-N 2 0 277.412 1.429 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000871154722 791531635 /nfs/dbraw/zinc/53/16/35/791531635.db2.gz YRAPXGSXPQABOP-UHFFFAOYSA-N 2 0 269.433 1.661 10 0 CDAERP O[C@@H](C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000819014865 791567731 /nfs/dbraw/zinc/56/77/31/791567731.db2.gz AJHIYIGKKHJOQG-AEFFLSMTSA-N 2 0 288.435 1.912 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCNC(=O)C1CCC1 ZINC000925494283 791615223 /nfs/dbraw/zinc/61/52/23/791615223.db2.gz JSDNNSDMZJRQQY-YIONKMFJSA-N 2 0 279.428 1.223 10 0 CDAERP c1sc(C2CC2)nc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000923460048 791761150 /nfs/dbraw/zinc/76/11/50/791761150.db2.gz PBNSQTKXACETDY-UHFFFAOYSA-N 2 0 266.414 1.015 10 0 CDAERP C[C@H](CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[NH+]1CCCCC1 ZINC000847293790 791782588 /nfs/dbraw/zinc/78/25/88/791782588.db2.gz HZLNQGBUNBRRAK-KFWWJZLASA-N 2 0 296.459 1.500 10 0 CDAERP C[C@H](C(=O)Nc1nccs1)[N@H+](C)CCCCCC[NH3+] ZINC000872155047 791810301 /nfs/dbraw/zinc/81/03/01/791810301.db2.gz ANEDOXOSJIYEGG-LLVKDONJSA-N 2 0 284.429 1.921 10 0 CDAERP [NH2+]=C(NCCC1CC1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000864452325 791812734 /nfs/dbraw/zinc/81/27/34/791812734.db2.gz MVPNGGBDNXMXQR-GFCCVEGCSA-N 2 0 250.390 1.385 10 0 CDAERP CC(C)C[C@@H](O)C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925581469 791819761 /nfs/dbraw/zinc/81/97/61/791819761.db2.gz RSXNKSCXCBADEA-YIYPIFLZSA-N 2 0 254.418 1.760 10 0 CDAERP O[C@H]1CCC[C@@H]1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000129140208 791820406 /nfs/dbraw/zinc/82/04/06/791820406.db2.gz QTKRCAZOKZHSOV-HIFRSBDPSA-N 2 0 252.402 1.611 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925676502 791851980 /nfs/dbraw/zinc/85/19/80/791851980.db2.gz NESBUQIAZUZTJB-HZSPNIEDSA-N 2 0 253.434 1.966 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000925879332 791856479 /nfs/dbraw/zinc/85/64/79/791856479.db2.gz BPUKVQNSRDDGEL-NJVJYBDUSA-N 3 0 251.418 1.624 10 0 CDAERP COC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)C1CCOCC1 ZINC000925776868 791865753 /nfs/dbraw/zinc/86/57/53/791865753.db2.gz NCEWVWJNWNXZFX-QWHCGFSZSA-N 2 0 292.370 1.262 10 0 CDAERP Cn1cncc1CCC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709869106 791891427 /nfs/dbraw/zinc/89/14/27/791891427.db2.gz UGDZNGSHOBKZSW-HNNXBMFYSA-N 2 0 262.401 1.428 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)NCCCCCCC[NH+](C)C ZINC000841742654 791898066 /nfs/dbraw/zinc/89/80/66/791898066.db2.gz YZOXDXKNAMRJNF-OLZOCXBDSA-N 2 0 272.437 1.533 10 0 CDAERP C[C@@H]1CC2(C[N@@H+]1C[C@@H](O)C(F)(F)F)CC[NH2+]CC2 ZINC000923384059 791903951 /nfs/dbraw/zinc/90/39/51/791903951.db2.gz RLDXDAMFFBOIEI-NXEZZACHSA-N 2 0 266.307 1.374 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](CO)Cc2ccco2)C12CCC2 ZINC000925478741 791909726 /nfs/dbraw/zinc/90/97/26/791909726.db2.gz WQGLEWOORWDLFD-IACUBPJLSA-N 2 0 264.369 1.290 10 0 CDAERP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cn(C3CC3)cn2)CC1 ZINC000865414176 791992195 /nfs/dbraw/zinc/99/21/95/791992195.db2.gz LRVGTNVUIBYMOC-AWEZNQCLSA-N 2 0 291.443 1.334 10 0 CDAERP CC1(C)[C@@H](NCc2cc(N)cc[nH+]2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925766232 792029735 /nfs/dbraw/zinc/02/97/35/792029735.db2.gz HUHXXDJPJXXJNN-RDBSUJKOSA-N 2 0 260.385 1.530 10 0 CDAERP C[C@@H]1C[N@@H+](CCCNC(=[NH2+])NCCC2CC2)C[C@H](C)O1 ZINC000864449860 792075347 /nfs/dbraw/zinc/07/53/47/792075347.db2.gz BNFMIIMLQPLFBR-BETUJISGSA-N 2 0 282.432 1.400 10 0 CDAERP C[C@@H]1C[N@H+](C[C@H](O)CCc2ccccc2)CC[C@H]1C[NH3+] ZINC000923492333 792153050 /nfs/dbraw/zinc/15/30/50/792153050.db2.gz MXUHURFZCFEUIV-HYVNUMGLSA-N 2 0 276.424 1.897 10 0 CDAERP Cc1nc2c(o1)CCC[C@@H]2NCCOCC[NH+](C)C ZINC000926251614 792223497 /nfs/dbraw/zinc/22/34/97/792223497.db2.gz BGUUHEYUFJNVQQ-LBPRGKRZSA-N 2 0 267.373 1.528 10 0 CDAERP CN(CCC[N@H+](C)Cc1ccoc1)CC[NH+](C)C ZINC000809788478 792325688 /nfs/dbraw/zinc/32/56/88/792325688.db2.gz RQNUTHKNOVXYTP-UHFFFAOYSA-N 2 0 253.390 1.595 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@]1(C(F)(F)F)CCCN1 ZINC000925858630 792353662 /nfs/dbraw/zinc/35/36/62/792353662.db2.gz VKDAPKCQXBGBJE-WDEREUQCSA-N 2 0 283.338 1.014 10 0 CDAERP O=C(CCC12CC(C1)C[NH2+]2)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000870867864 792429507 /nfs/dbraw/zinc/42/95/07/792429507.db2.gz LSGKVIVUKOJYTC-MYMJJRTCSA-N 2 0 277.412 1.262 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)NCC[NH+]2CCCC(C)(C)C2)CC[N@@H+]1C ZINC000925335460 792487914 /nfs/dbraw/zinc/48/79/14/792487914.db2.gz VSRPEATWXHOMCX-KGLIPLIRSA-N 2 0 296.459 1.500 10 0 CDAERP CO[C@H]1C[C@H](C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])C1 ZINC000925734942 792510992 /nfs/dbraw/zinc/51/09/92/792510992.db2.gz DEJWDKAJXPHUFB-QCEMKRCNSA-N 2 0 262.397 1.960 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711355740 792549531 /nfs/dbraw/zinc/54/95/31/792549531.db2.gz RDXXURBKISQBPC-GFCCVEGCSA-N 2 0 255.406 1.032 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CC[NH+](C)[C@H]2C)C1 ZINC000921427071 792595160 /nfs/dbraw/zinc/59/51/60/792595160.db2.gz WACWWUHGOCPICR-ZNMIVQPWSA-N 2 0 296.459 1.356 10 0 CDAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CCOCC(F)F)CC2 ZINC000923451977 792627165 /nfs/dbraw/zinc/62/71/65/792627165.db2.gz RIPXNDRQELRNSD-NSHDSACASA-N 2 0 278.343 1.098 10 0 CDAERP [NH3+][C@H]1CCCCCN(C[C@H](O)COc2ccccc2F)C1 ZINC000923413674 792769133 /nfs/dbraw/zinc/76/91/33/792769133.db2.gz XOWREJCWSRPMST-KBPBESRZSA-N 2 0 296.386 1.769 10 0 CDAERP CC[NH+]1CCC(CNC(=O)C(C)(C)[C@H]([NH3+])C(C)C)CC1 ZINC000713010260 792818865 /nfs/dbraw/zinc/81/88/65/792818865.db2.gz SRWBGFNLASXCMA-CQSZACIVSA-N 2 0 283.460 1.844 10 0 CDAERP C[C@H]1CCC[C@@](CNC2=[NH+]CCCCN2)([NH+](C)C)C1 ZINC000700228414 792832407 /nfs/dbraw/zinc/83/24/07/792832407.db2.gz PCFHERDBZVUXER-DZGCQCFKSA-N 2 0 266.433 1.826 10 0 CDAERP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)C(C)(C)CO ZINC000925242133 792860885 /nfs/dbraw/zinc/86/08/85/792860885.db2.gz WJDDDGGGHATQPL-OLZOCXBDSA-N 2 0 260.422 1.340 10 0 CDAERP CCC[C@@H](C)C(=O)NCC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925676433 792864360 /nfs/dbraw/zinc/86/43/60/792864360.db2.gz JGZAFVNAYANTAK-KBXIAJHMSA-N 2 0 295.471 1.905 10 0 CDAERP C[C@@H]1[C@@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)CO[C@H]1C ZINC000924630812 792880017 /nfs/dbraw/zinc/88/00/17/792880017.db2.gz AYDNKPCHNMIURG-YDHLFZDLSA-N 2 0 269.433 1.025 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000851677458 792884047 /nfs/dbraw/zinc/88/40/47/792884047.db2.gz GXESSLONXNRJQF-CYBMUJFWSA-N 2 0 282.432 1.145 10 0 CDAERP CC[NH+](CC)CCCN1CCc2[nH+]ccc(N)c2C1 ZINC000931517542 792896323 /nfs/dbraw/zinc/89/63/23/792896323.db2.gz AUZRDFFZLOYJDY-UHFFFAOYSA-N 2 0 262.401 1.754 10 0 CDAERP Brc1ccccc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000923466024 792899506 /nfs/dbraw/zinc/89/95/06/792899506.db2.gz HMDFAJAPXDAJIC-UHFFFAOYSA-N 2 0 298.228 1.444 10 0 CDAERP COC(=O)c1cc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])n(C)c1C ZINC000925769742 793167143 /nfs/dbraw/zinc/16/71/43/793167143.db2.gz PZDMZKKRTAMOPU-UWVGGRQHSA-N 2 0 267.373 1.336 10 0 CDAERP [NH3+]C[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@@H]1C(F)(F)F ZINC000720837817 793247310 /nfs/dbraw/zinc/24/73/10/793247310.db2.gz HGWHCGLNOFQGSD-VWYCJHECSA-N 2 0 266.307 1.625 10 0 CDAERP O[C@@H](C[NH2+]Cc1cccc(CN2CCOCC2)c1)C1CC1 ZINC000818965497 793283720 /nfs/dbraw/zinc/28/37/20/793283720.db2.gz SWCPGLFJSIGUGI-KRWDZBQOSA-N 2 0 290.407 1.379 10 0 CDAERP CC[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)[C@H]1CCCOC1 ZINC000872068853 793387863 /nfs/dbraw/zinc/38/78/63/793387863.db2.gz JCSOTJDZDJAXRU-HOTGVXAUSA-N 2 0 297.487 1.807 10 0 CDAERP C[C@@H]1C[N@@H+]([C@H]2CCN(CC(F)(F)F)C2=O)CC[C@H]1C[NH3+] ZINC000923496951 793753405 /nfs/dbraw/zinc/75/34/05/793753405.db2.gz KOKHHDTVCODQRI-VWYCJHECSA-N 2 0 293.333 1.066 10 0 CDAERP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712669759 793792750 /nfs/dbraw/zinc/79/27/50/793792750.db2.gz CXKYFPUEAPFPHP-NEPJUHHUSA-N 2 0 255.406 1.303 10 0 CDAERP O[C@H](C[NH2+]C[C@H]1CCN1C1CCCCC1)C1CC1 ZINC000863569882 793829686 /nfs/dbraw/zinc/82/96/86/793829686.db2.gz BFPBXBJPCAMPDF-HUUCEWRRSA-N 2 0 252.402 1.754 10 0 CDAERP COc1cccc(NC(=O)C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC000227748390 793839516 /nfs/dbraw/zinc/83/95/16/793839516.db2.gz CRSIHUBTKMMUKH-STQMWFEESA-N 2 0 291.395 1.550 10 0 CDAERP C[N@H+](CCN[C@@H]1CC[NH2+]C12CCC2)C1CCCC1 ZINC000925499823 793839985 /nfs/dbraw/zinc/83/99/85/793839985.db2.gz UHMZPMXCQVLMNW-CQSZACIVSA-N 2 0 251.418 1.735 10 0 CDAERP C[NH+](C)C[C@@H]1CN(c2cccc(Cl)n2)C[C@H]1C[NH+](C)C ZINC000705937656 793844799 /nfs/dbraw/zinc/84/47/99/793844799.db2.gz OVDJRVVXUUOGSR-CHWSQXEVSA-N 2 0 296.846 1.911 10 0 CDAERP C[C@H]([NH2+][C@H]1CC(=O)N(CC2CC2)C1)C1CC[NH+](C)CC1 ZINC000716771338 793854703 /nfs/dbraw/zinc/85/47/03/793854703.db2.gz CCCSRRNSRKEUJT-WFASDCNBSA-N 2 0 279.428 1.317 10 0 CDAERP OC[C@@H]1CCC[C@H]([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000385528379 793863429 /nfs/dbraw/zinc/86/34/29/793863429.db2.gz QTUXQHCPVXVLDB-QLMDPUNJSA-N 2 0 250.386 1.124 10 0 CDAERP Cc1ccccc1[C@@H](O)C[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000819034835 793876686 /nfs/dbraw/zinc/87/66/86/793876686.db2.gz SARFRPRTXPLUKO-WBVHZDCISA-N 2 0 291.439 1.254 10 0 CDAERP CC[NH+](CC)CCOCCNC(=[NH2+])NC1CCCCC1 ZINC000849018281 793889573 /nfs/dbraw/zinc/88/95/73/793889573.db2.gz IHUNBISWZIGVDM-UHFFFAOYSA-N 2 0 284.448 1.791 10 0 CDAERP C[NH+](C)C1CCN(C(=O)CCCCCC[NH3+])CC1 ZINC000036192217 794038720 /nfs/dbraw/zinc/03/87/20/794038720.db2.gz BGMPGXGYNMQYPD-UHFFFAOYSA-N 2 0 255.406 1.448 10 0 CDAERP Cc1noc(C)c1CN1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720859883 794101122 /nfs/dbraw/zinc/10/11/22/794101122.db2.gz RZEISKKGOOBXQE-MWLCHTKSSA-N 2 0 277.290 1.860 10 0 CDAERP C[C@H](CN[C@H]1CC[NH2+]C12CCC2)C[NH+]1CCCCC1 ZINC000925484746 794117943 /nfs/dbraw/zinc/11/79/43/794117943.db2.gz JJABTYCWDVOMGK-CABCVRRESA-N 2 0 265.445 1.983 10 0 CDAERP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)[C@H]1C ZINC000925804087 794132979 /nfs/dbraw/zinc/13/29/79/794132979.db2.gz ZERMWKSOUBLUNF-FQKPHLNHSA-N 2 0 282.428 1.799 10 0 CDAERP COc1ccccc1C[C@@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925811768 794185895 /nfs/dbraw/zinc/18/58/95/794185895.db2.gz RRBBDYAMIABYOG-CQSZACIVSA-N 2 0 291.439 1.639 10 0 CDAERP C(C[NH2+]C1CC1)CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000394682271 794381108 /nfs/dbraw/zinc/38/11/08/794381108.db2.gz YUAGZSNQNSFWPF-OAHLLOKOSA-N 2 0 251.418 1.689 10 0 CDAERP Cc1cncc(CC[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)n1 ZINC000925708922 794463881 /nfs/dbraw/zinc/46/38/81/794463881.db2.gz SLRZSCCKHNKXSA-QLFBSQMISA-N 2 0 274.412 1.694 10 0 CDAERP C[C@H](C(=O)N1CCCCCC1)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723886924 794496372 /nfs/dbraw/zinc/49/63/72/794496372.db2.gz OCOVGVMNDCIJDP-RBSFLKMASA-N 2 0 281.444 1.694 10 0 CDAERP C[N@@H+]1CCCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000813364143 794535626 /nfs/dbraw/zinc/53/56/26/794535626.db2.gz HCTUUBQVWBQPJI-OAHLLOKOSA-N 2 0 285.407 1.363 10 0 CDAERP CC[C@H]1C[C@@H](C[NH2+]CC2([NH3+])CCOCC2)CCO1 ZINC000863482014 794547632 /nfs/dbraw/zinc/54/76/32/794547632.db2.gz PPPFVCFRTFKVDL-STQMWFEESA-N 2 0 256.390 1.289 10 0 CDAERP CCCCOC[C@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709869957 794741863 /nfs/dbraw/zinc/74/18/63/794741863.db2.gz ZJGZAIILEPBXKI-CABCVRRESA-N 2 0 270.417 1.240 10 0 CDAERP C[NH2+]CC1CC[NH+](C[C@@H]2CC3(CCC3)CO2)CC1 ZINC000872141828 794816673 /nfs/dbraw/zinc/81/66/73/794816673.db2.gz VHEOMLWOOMAAAS-AWEZNQCLSA-N 2 0 252.402 1.877 10 0 CDAERP CC(C)[C@H](O)C1(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925636413 794897688 /nfs/dbraw/zinc/89/76/88/794897688.db2.gz RXCGUXJUNMIGAO-AVGNSLFASA-N 2 0 252.402 1.643 10 0 CDAERP C[C@@H](C[NH2+][C@@H]1CCCc2cn[nH]c21)N1CC[NH+](C)CC1 ZINC000857854307 794942561 /nfs/dbraw/zinc/94/25/61/794942561.db2.gz ZJRYVCQSKSCJJL-GXTWGEPZSA-N 2 0 277.416 1.013 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)C[C@](C)(O)C2CC2)C1 ZINC000872202302 794962278 /nfs/dbraw/zinc/96/22/78/794962278.db2.gz HBVPBWRAVNBQLS-FZKCQIBNSA-N 2 0 284.444 1.361 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)Nc2cccc(OCC[NH3+])c2)C1 ZINC000841292042 795062860 /nfs/dbraw/zinc/06/28/60/795062860.db2.gz YCGMPFZCMZIFJF-CYBMUJFWSA-N 2 0 292.383 1.240 10 0 CDAERP CCCCCC[N@H+](C)CC(=O)N1CC[C@@H]2C[NH+](C)C[C@@H]21 ZINC000816952204 795069203 /nfs/dbraw/zinc/06/92/03/795069203.db2.gz FKTJPUPOVKFUSC-CABCVRRESA-N 2 0 281.444 1.661 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000713056349 795095896 /nfs/dbraw/zinc/09/58/96/795095896.db2.gz CXTIPGOXFXNNJZ-OLZOCXBDSA-N 2 0 269.433 1.454 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]CCCNC(=O)C2CCC2)C12CCC2 ZINC000925578027 795111079 /nfs/dbraw/zinc/11/10/79/795111079.db2.gz YUXXYHZGARMIIX-CHWSQXEVSA-N 2 0 265.401 1.152 10 0 CDAERP COC(=O)N1CCC[C@H]([NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000925563397 795239220 /nfs/dbraw/zinc/23/92/20/795239220.db2.gz BPWAZNTYGHBKCR-RFQIPJPRSA-N 2 0 295.427 1.583 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000104219313 795246575 /nfs/dbraw/zinc/24/65/75/795246575.db2.gz XYGSIEZUUKOSDJ-ZBFHGGJFSA-N 3 0 265.445 1.650 10 0 CDAERP C[NH+](C)C1(C)CC[NH+](C[C@H]2C[C@]23CCOC3)CC1 ZINC000931356794 795314727 /nfs/dbraw/zinc/31/47/27/795314727.db2.gz NDNOXRVUSRYZGL-HIFRSBDPSA-N 2 0 252.402 1.829 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@@H](O)c2ccccc21 ZINC000854229801 795440846 /nfs/dbraw/zinc/44/08/46/795440846.db2.gz XMSHDGWCCPMYLE-NILFDRSVSA-N 2 0 264.369 1.508 10 0 CDAERP CN(C)C(=O)N1CCC([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000925847589 795443890 /nfs/dbraw/zinc/44/38/90/795443890.db2.gz WRVTVQAIYDIDCU-GDBMZVCRSA-N 2 0 294.443 1.254 10 0 CDAERP CC(=O)NCCCCC[N@@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000929780205 795541276 /nfs/dbraw/zinc/54/12/76/795541276.db2.gz DRRWQQZQTNXCEU-HIFRSBDPSA-N 2 0 269.433 1.707 10 0 CDAERP Cc1cc([C@H]([NH3+])CC(=O)N[C@@H](C)C[C@H](C)[NH3+])cc(Cl)n1 ZINC000843506886 795751574 /nfs/dbraw/zinc/75/15/74/795751574.db2.gz KMYGAYQGNDXKKE-HOTUBEGUSA-N 2 0 298.818 1.675 10 0 CDAERP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cnn(CCF)c2)C1 ZINC000922180467 795794328 /nfs/dbraw/zinc/79/43/28/795794328.db2.gz BIZNFYFWSBEBMD-CYBMUJFWSA-N 2 0 268.380 1.674 10 0 CDAERP CN1CC[NH+](CCCC[NH2+]Cc2cn(C3CC3)cn2)CC1 ZINC000865412826 795808007 /nfs/dbraw/zinc/80/80/07/795808007.db2.gz SXMQTKRWERPLFT-UHFFFAOYSA-N 2 0 291.443 1.335 10 0 CDAERP C(C[C@@H]1CCSC1)[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000866405137 795808802 /nfs/dbraw/zinc/80/88/02/795808802.db2.gz XXEOXWXYLWRBAP-HIFRSBDPSA-N 2 0 284.469 1.973 10 0 CDAERP Cn1cc(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)c2cccnc21 ZINC000925726692 795810851 /nfs/dbraw/zinc/81/08/51/795810851.db2.gz JYJGXFULFRAKGF-XSIBGMEISA-N 2 0 296.418 1.702 10 0 CDAERP COCC(C)(C)CC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000718697367 795815251 /nfs/dbraw/zinc/81/52/51/795815251.db2.gz WIGAPRZUSBYKDA-YHQUGGNUSA-N 2 0 252.402 1.635 10 0 CDAERP O=C(NC1CCC([NH+]2CCCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000831089179 795818265 /nfs/dbraw/zinc/81/82/65/795818265.db2.gz VJVZJVUZWQFGLH-QQFBHYJXSA-N 2 0 293.455 1.899 10 0 CDAERP C[NH+](C)C1(C)CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000871358578 795823464 /nfs/dbraw/zinc/82/34/64/795823464.db2.gz YEKGNCVEFXEPML-OPFPJEHXSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@@H]1CN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H](C)CN1C ZINC000810845928 795833666 /nfs/dbraw/zinc/83/36/66/795833666.db2.gz HGYCJHFCEWOFFB-XJKCOSOUSA-N 2 0 299.434 1.750 10 0 CDAERP C(CC1CC[NH2+]CC1)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000843383580 795853855 /nfs/dbraw/zinc/85/38/55/795853855.db2.gz YRLZOWIEOAFJCC-INIZCTEOSA-N 3 0 265.445 1.842 10 0 CDAERP C[C@H]1C[C@@H]1NC(=[NH2+])NCC(C)(C)[NH+]1CCCCC1 ZINC000864452715 795981513 /nfs/dbraw/zinc/98/15/13/795981513.db2.gz RXXAHYIOJJJLHH-RYUDHWBXSA-N 2 0 252.406 1.773 10 0 CDAERP C1[C@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)C12CC[NH2+]CC2 ZINC000925702560 796029194 /nfs/dbraw/zinc/02/91/94/796029194.db2.gz BPVRAYQHRNCKLO-XHSDSOJGSA-N 3 0 277.456 1.886 10 0 CDAERP C[C@H]([NH2+]C[C@H]1CCC2(CCC2)CO1)[C@@H]1CC[NH2+]C1 ZINC000716601420 796036787 /nfs/dbraw/zinc/03/67/87/796036787.db2.gz NZNVDSWJAUCIDW-BFHYXJOUSA-N 2 0 252.402 1.923 10 0 CDAERP COCCCN(C)CC[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000925142362 796073783 /nfs/dbraw/zinc/07/37/83/796073783.db2.gz GQSWHGAFKAHUBW-UHFFFAOYSA-N 2 0 284.444 1.892 10 0 CDAERP C[NH+](C)Cc1ccc(NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)cc1 ZINC000713280318 796080117 /nfs/dbraw/zinc/08/01/17/796080117.db2.gz YPVGBGCFLGHWHA-WWGRRREGSA-N 2 0 273.380 1.814 10 0 CDAERP C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C[C@@H]1COCCO1 ZINC000923392505 796163771 /nfs/dbraw/zinc/16/37/71/796163771.db2.gz XJDQPRQYXIHOJI-JALIKCBVSA-N 2 0 268.401 1.254 10 0 CDAERP CC(C)C(=O)NC[C@@H]1CCC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261950856 796307296 /nfs/dbraw/zinc/30/72/96/796307296.db2.gz FXNVRBFDNLXANR-HOCLYGCPSA-N 2 0 281.444 1.470 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CC[C@H]([NH3+])CC2)CC[N@@H+]1C ZINC000870892713 796313324 /nfs/dbraw/zinc/31/33/24/796313324.db2.gz KCNAMUJXMNEMBR-AAVRWANBSA-N 2 0 267.417 1.445 10 0 CDAERP [NH3+]CCCCCC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000852859818 796324510 /nfs/dbraw/zinc/32/45/10/796324510.db2.gz BHKUHGXLVXNZMD-HNNXBMFYSA-N 2 0 291.395 1.805 10 0 CDAERP CCCCC[C@@H](C)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000840732916 796352570 /nfs/dbraw/zinc/35/25/70/796352570.db2.gz JHLKFAWJPAFTGS-CABCVRRESA-N 2 0 271.449 1.153 10 0 CDAERP CN1CCC[NH+]=C1NC1CC([NH+]2CCCCC2)C1 ZINC000849024987 796421668 /nfs/dbraw/zinc/42/16/68/796421668.db2.gz IOHRJBCWZCCRCR-UHFFFAOYSA-N 2 0 250.390 1.284 10 0 CDAERP CC(C)OCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001569847763 1167569026 /nfs/dbraw/zinc/56/90/26/1167569026.db2.gz XLXYRNQNWCEWBQ-LSDHHAIUSA-N 2 0 299.459 1.047 10 0 CDAERP CCOCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001570526420 1167576346 /nfs/dbraw/zinc/57/63/46/1167576346.db2.gz SYPKNBONEPHGTC-GJZGRUSLSA-N 2 0 297.443 1.040 10 0 CDAERP CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CC[N@H+](C)CC ZINC001565942187 1168203482 /nfs/dbraw/zinc/20/34/82/1168203482.db2.gz WDXOCSTZTGJQTE-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP [NH3+][C@@H]1CCCC[C@@H]1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC001647244045 1168484625 /nfs/dbraw/zinc/48/46/25/1168484625.db2.gz OTMDTTVWLBRWDT-LSDHHAIUSA-N 2 0 279.428 1.495 10 0 CDAERP CC(C)(C(=O)NC[C@H]1CC[N@@H+]1CCC1CC1)[NH+]1CCCC1 ZINC001483670205 912489042 /nfs/dbraw/zinc/48/90/42/912489042.db2.gz LJNLBOUNCRHKID-OAHLLOKOSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@@]1(C(F)F)C[N@H+](CCCCCC[NH3+])CCO1 ZINC000698736727 912777654 /nfs/dbraw/zinc/77/76/54/912777654.db2.gz PDFGEZOVZTUZPC-LBPRGKRZSA-N 2 0 250.333 1.862 10 0 CDAERP COCCC[N@H+](CCOC)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699305766 913712324 /nfs/dbraw/zinc/71/23/24/913712324.db2.gz RERGGRZKNHJPOO-GOOCMWNKSA-N 2 0 270.417 1.502 10 0 CDAERP CCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001266248604 893910170 /nfs/dbraw/zinc/91/01/70/893910170.db2.gz PERDGMYBDUPXOQ-HUUCEWRRSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001266288178 894157952 /nfs/dbraw/zinc/15/79/52/894157952.db2.gz BNTDRTLZDMGQFR-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP COCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001266674448 895784422 /nfs/dbraw/zinc/78/44/22/895784422.db2.gz YETPXZFCEFBCCO-QLFBSQMISA-N 2 0 297.443 1.134 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001266735917 895942482 /nfs/dbraw/zinc/94/24/82/895942482.db2.gz YNAYMJKIBXTQDE-ZNMIVQPWSA-N 2 0 281.444 1.898 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)CC[NH2+]Cc1ccc(F)cn1 ZINC001266952259 896423456 /nfs/dbraw/zinc/42/34/56/896423456.db2.gz ILEYSGJADMQMGC-UHFFFAOYSA-N 2 0 296.390 1.111 10 0 CDAERP C[NH+](C)CCC(=O)NCC[N@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC001480908138 896481122 /nfs/dbraw/zinc/48/11/22/896481122.db2.gz PLFSJFUCSLFKCO-GFCCVEGCSA-N 2 0 291.386 1.422 10 0 CDAERP CC[C@@H](C(=O)N(C)CC[NH2+]C[C@H]1CC(C)(C)CO1)[NH+](C)C ZINC001266989183 896507594 /nfs/dbraw/zinc/50/75/94/896507594.db2.gz VEPIVYOTSVXEQQ-KGLIPLIRSA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001480920910 896971717 /nfs/dbraw/zinc/97/17/17/896971717.db2.gz CXBKOSUOWIRNOG-AWEZNQCLSA-N 2 0 283.460 1.812 10 0 CDAERP Cc1ccccc1C[NH2+]CCN(C)C(=O)CCC[NH+](C)C ZINC001567551597 1168850026 /nfs/dbraw/zinc/85/00/26/1168850026.db2.gz IRIJVBUFPJKZTF-UHFFFAOYSA-N 2 0 291.439 1.885 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1C(C)C)[NH+](C)C ZINC001267270655 897423335 /nfs/dbraw/zinc/42/33/35/897423335.db2.gz KXUAAAOEZTWBFO-QWHCGFSZSA-N 2 0 255.406 1.316 10 0 CDAERP CC[C@H](C)C[N@@H+]1CCC[C@H]1CNC(=O)CCc1c[nH]cn1 ZINC001481044045 898676445 /nfs/dbraw/zinc/67/64/45/898676445.db2.gz XQFDBEXHWHSCJF-ZFWWWQNUSA-N 2 0 292.427 1.969 10 0 CDAERP CCCC[NH+]1CC(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001267695927 899309383 /nfs/dbraw/zinc/30/93/83/899309383.db2.gz MKDJIKIREWBPIQ-CYBMUJFWSA-N 2 0 267.417 1.176 10 0 CDAERP CC[C@H](C(=O)N[C@@](C)(C[NH2+]C(C)C)C1CC1)[NH+](C)C ZINC001267863811 899898769 /nfs/dbraw/zinc/89/87/69/899898769.db2.gz PKEGTCQZCLLGEN-HIFRSBDPSA-N 2 0 269.433 1.610 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCF ZINC001267959303 900079113 /nfs/dbraw/zinc/07/91/13/900079113.db2.gz WNCFJVBYFAPIQT-HUUCEWRRSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CCNCc1cscn1 ZINC001481319802 900380006 /nfs/dbraw/zinc/38/00/06/900380006.db2.gz ONVJQSVRFMCGHF-UHFFFAOYSA-N 2 0 284.429 1.031 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH+](C)CCCF)C2)CC[N@@H+]1C ZINC001481484886 900883048 /nfs/dbraw/zinc/88/30/48/900883048.db2.gz DONMAQHRESVHKO-QLFBSQMISA-N 2 0 299.434 1.467 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC(C[NH+](C)CC2CC2)CC1 ZINC001481521718 901045463 /nfs/dbraw/zinc/04/54/63/901045463.db2.gz OPFCIFSLWGOWKR-UHFFFAOYSA-N 2 0 295.471 1.907 10 0 CDAERP CN(CCC[N@H+](C)CCCO)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001421866880 901045725 /nfs/dbraw/zinc/04/57/25/901045725.db2.gz ACRYIBZVTRMHNC-UHFFFAOYSA-N 2 0 299.459 1.024 10 0 CDAERP CC(C)=CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001268142218 901396290 /nfs/dbraw/zinc/39/62/90/901396290.db2.gz OJRPIRALZLJDNS-JKSUJKDBSA-N 2 0 293.455 1.875 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]CCF ZINC001268198832 901555321 /nfs/dbraw/zinc/55/53/21/901555321.db2.gz XMOUSHRSVOYNRN-UONOGXRCSA-N 2 0 287.423 1.513 10 0 CDAERP CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001268208215 901570014 /nfs/dbraw/zinc/57/00/14/901570014.db2.gz JNNROJNOFMMGAZ-KGLIPLIRSA-N 2 0 269.433 1.610 10 0 CDAERP CC(C)CC[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001268257053 901684680 /nfs/dbraw/zinc/68/46/80/901684680.db2.gz MYHSWWJFJKMDNR-AWEZNQCLSA-N 2 0 269.433 1.374 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CC[C@H](C)F)C1)[NH+](C)C ZINC001481689915 901800970 /nfs/dbraw/zinc/80/09/70/901800970.db2.gz NOMAXWHGEXKVMM-IHRRRGAJSA-N 2 0 287.423 1.511 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001481705881 901864655 /nfs/dbraw/zinc/86/46/55/901864655.db2.gz WQRJFVSGODJEGS-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP Cc1ncoc1C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001268346997 901905940 /nfs/dbraw/zinc/90/59/40/901905940.db2.gz APLZVBNEKWLFCT-YPMHNXCESA-N 2 0 294.399 1.062 10 0 CDAERP Cc1ncoc1C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001268346989 901906532 /nfs/dbraw/zinc/90/65/32/901906532.db2.gz APLZVBNEKWLFCT-AAEUAGOBSA-N 2 0 294.399 1.062 10 0 CDAERP Cc1cnc(C[NH2+]CC[C@H](C)NC(=O)C[N@H+](C)C(C)C)o1 ZINC001268426637 902042166 /nfs/dbraw/zinc/04/21/66/902042166.db2.gz QLVXCQCXFSALKA-LBPRGKRZSA-N 2 0 296.415 1.308 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]CCF ZINC001481854791 902228326 /nfs/dbraw/zinc/22/83/26/902228326.db2.gz GNZPUIOTWYJTHE-KGLIPLIRSA-N 2 0 287.423 1.705 10 0 CDAERP CCCCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001498355352 902539974 /nfs/dbraw/zinc/53/99/74/902539974.db2.gz LHUOAAJKMYHDSY-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP CCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001482119362 902659531 /nfs/dbraw/zinc/65/95/31/902659531.db2.gz XDJJXLJGWDJMQI-HUUCEWRRSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@H](C[NH2+]C/C=C\Cl)NC(=O)C1(C[NH+](C)C)CC1 ZINC001268657889 902908360 /nfs/dbraw/zinc/90/83/60/902908360.db2.gz BERDMOMAAWYQQS-MEQVVJDKSA-N 2 0 273.808 1.175 10 0 CDAERP CC[C@@H](C)C[NH+]1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001268906539 903229792 /nfs/dbraw/zinc/22/97/92/903229792.db2.gz QEAQNUSPFJIVCZ-CYBMUJFWSA-N 2 0 267.417 1.176 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCOCC)C[C@@H]1C ZINC001269980578 904249286 /nfs/dbraw/zinc/24/92/86/904249286.db2.gz HBUFEWMCVBXABH-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C[NH2+]CCF ZINC001279125719 904262272 /nfs/dbraw/zinc/26/22/72/904262272.db2.gz RLFQGBHBIPRCEQ-UONOGXRCSA-N 2 0 297.418 1.268 10 0 CDAERP CCCN(C(=O)CC[NH+]1CC[C@@H](F)C1)[C@H]1CC[N@H+](C)C1 ZINC001363460281 904528858 /nfs/dbraw/zinc/52/88/58/904528858.db2.gz WHTRDJRVPOJOOK-KGLIPLIRSA-N 2 0 285.407 1.363 10 0 CDAERP C[C@H](C[NH2+]C/C=C\Cl)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482284461 904581568 /nfs/dbraw/zinc/58/15/68/904581568.db2.gz YEZOKPZMMHUSLE-SEXYQANYSA-N 2 0 287.835 1.516 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1CCCC1 ZINC001270448880 904646605 /nfs/dbraw/zinc/64/66/05/904646605.db2.gz HJGQOPDERSHFCA-UONOGXRCSA-N 2 0 269.433 1.611 10 0 CDAERP CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001482293593 904690225 /nfs/dbraw/zinc/69/02/25/904690225.db2.gz XIAYZNVHYUXVNZ-UKRRQHHQSA-N 2 0 281.444 1.850 10 0 CDAERP C[C@@]1(C[NH2+]CCF)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001270726096 904990471 /nfs/dbraw/zinc/99/04/71/904990471.db2.gz AKCZCFHJKKRGCV-ZBFHGGJFSA-N 2 0 297.418 1.126 10 0 CDAERP COCC[NH2+]C[C@@H](CC(C)C)NC(=O)C1CC[NH+](C)CC1 ZINC001271293411 906232096 /nfs/dbraw/zinc/23/20/96/906232096.db2.gz IXNMOGKBRNXSAH-OAHLLOKOSA-N 2 0 299.459 1.095 10 0 CDAERP C[C@@H](F)CC[NH2+]CC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001272992628 921339002 /nfs/dbraw/zinc/33/90/02/921339002.db2.gz CNJRLMDAZUMURI-OLZOCXBDSA-N 2 0 287.423 1.561 10 0 CDAERP CCN(CC[NH2+]C[C@@H]1CC(C)(C)CO1)C(=O)CC[NH+](C)C ZINC001482946891 908530851 /nfs/dbraw/zinc/53/08/51/908530851.db2.gz BCZCKDKQYUHOGJ-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1)NC(=O)CC[NH+](C)C ZINC001483163056 909894443 /nfs/dbraw/zinc/89/44/43/909894443.db2.gz WPSSGVOHFHXLMR-OLZOCXBDSA-N 2 0 295.402 1.933 10 0 CDAERP CCCC[NH2+]CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001273019531 921571410 /nfs/dbraw/zinc/57/14/10/921571410.db2.gz XEKUETISFYGNIT-KGLIPLIRSA-N 2 0 269.433 1.613 10 0 CDAERP C[C@@H]([NH2+]CCC1CC1)[C@H](C)NC(=O)Cc1cncn1C ZINC001409425603 910394324 /nfs/dbraw/zinc/39/43/24/910394324.db2.gz UTLOZDPJSQVPHL-NEPJUHHUSA-N 2 0 278.400 1.246 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]C/C=C/Cl ZINC001483297001 910808910 /nfs/dbraw/zinc/80/89/10/910808910.db2.gz UUWIKKPAYANBPM-FRNKVXGRSA-N 2 0 287.835 1.708 10 0 CDAERP CCOCC[N@H+](C)C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001483393266 911050871 /nfs/dbraw/zinc/05/08/71/911050871.db2.gz OXMOLLJTUIZJGE-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP Cc1cnc([C@@H](C)[NH2+]CCCN(C)C(=O)CC[NH+](C)C)o1 ZINC001483490191 911188307 /nfs/dbraw/zinc/18/83/07/911188307.db2.gz YABIVWWBLOPZRQ-CYBMUJFWSA-N 2 0 296.415 1.434 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@]2(CC[N@H+](CCC3CC3)C2)C1 ZINC001483849552 915111140 /nfs/dbraw/zinc/11/11/40/915111140.db2.gz XQSBRJJQSULPTN-KRWDZBQOSA-N 2 0 293.455 1.663 10 0 CDAERP CCO[C@H](CNCc1ccc2[nH]c(=O)[nH]c2c1)C[NH+](C)C ZINC000922756500 921790005 /nfs/dbraw/zinc/79/00/05/921790005.db2.gz QGVNMNKKAMQXIK-GFCCVEGCSA-N 2 0 292.383 1.325 10 0 CDAERP CCCCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001484377858 915693362 /nfs/dbraw/zinc/69/33/62/915693362.db2.gz TUYGUZYGVLQGQW-LSDHHAIUSA-N 2 0 283.460 1.812 10 0 CDAERP CCCC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001484381170 915704532 /nfs/dbraw/zinc/70/45/32/915704532.db2.gz OFSGSQTVIFUZCD-CABCVRRESA-N 2 0 283.460 1.812 10 0 CDAERP C[NH+](C)CCCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCCF ZINC001484462402 915788086 /nfs/dbraw/zinc/78/80/86/915788086.db2.gz MHOSQOCAOGVNFC-LSDHHAIUSA-N 2 0 299.434 1.753 10 0 CDAERP CC(C)OCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCC1 ZINC001484627995 915972264 /nfs/dbraw/zinc/97/22/64/915972264.db2.gz MMZCIWAZWAHTET-CQSZACIVSA-N 2 0 297.443 1.134 10 0 CDAERP CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCO)CC1)[NH+](CC)CC ZINC001484722094 916103271 /nfs/dbraw/zinc/10/32/71/916103271.db2.gz RMKOCJSJAVPEST-CABCVRRESA-N 2 0 299.459 1.070 10 0 CDAERP CC[C@@H](F)C[N@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001485068348 916449173 /nfs/dbraw/zinc/44/91/73/916449173.db2.gz CZFRKKOUYRZPPB-KGLIPLIRSA-N 2 0 287.423 1.609 10 0 CDAERP CCCC[NH2+]CC1CC(NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001485107619 916531973 /nfs/dbraw/zinc/53/19/73/916531973.db2.gz ATMSHZXNZBPUKZ-NRXISQOPSA-N 2 0 283.460 1.857 10 0 CDAERP C[NH2+]CCC1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000070190051 917213744 /nfs/dbraw/zinc/21/37/44/917213744.db2.gz NLSIRDZQXZQUQO-SNVBAGLBSA-N 2 0 254.296 1.231 10 0 CDAERP CCN1CC[C@H]1C(=O)N[C@H](C)CC[NH+](CC)CC ZINC001181654451 917246630 /nfs/dbraw/zinc/24/66/30/917246630.db2.gz QYXOMYXFHVQTJP-OLZOCXBDSA-N 2 0 255.406 1.317 10 0 CDAERP O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@]1(F)CC[NH2+]C1 ZINC000831786484 936536731 /nfs/dbraw/zinc/53/67/31/936536731.db2.gz HKICNIDQXLDSEY-INIZCTEOSA-N 2 0 291.370 1.923 10 0 CDAERP C[NH+](C)C1(C)CCC(NC(=O)C2([NH3+])CCCC2)CC1 ZINC000715563572 919891464 /nfs/dbraw/zinc/89/14/64/919891464.db2.gz WNZBEACWHULXDU-UHFFFAOYSA-N 2 0 267.417 1.637 10 0 CDAERP CC(C)[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001485908295 920560924 /nfs/dbraw/zinc/56/09/24/920560924.db2.gz PJFFMNZNAKIEPN-CYBMUJFWSA-N 2 0 269.433 1.706 10 0 CDAERP Cc1cc([C@@H]([NH3+])CC(=O)NC[C@H](C)C[NH3+])cc(Cl)n1 ZINC000834340791 936683812 /nfs/dbraw/zinc/68/38/12/936683812.db2.gz DMXNSBNGOFDOPL-KCJUWKMLSA-N 2 0 284.791 1.144 10 0 CDAERP CCCC[NH2+]C1CC(N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001486481359 921060836 /nfs/dbraw/zinc/06/08/36/921060836.db2.gz KYAYUCWTEWJTAY-NRXISQOPSA-N 2 0 283.460 1.952 10 0 CDAERP Cc1nccn1-c1ccc(NC(=O)CC2([NH3+])CC2)cn1 ZINC000398054322 936709367 /nfs/dbraw/zinc/70/93/67/936709367.db2.gz CTMSLQDMRFNVEJ-UHFFFAOYSA-N 2 0 271.324 1.396 10 0 CDAERP CC(C)=CC[N@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001491120565 936859370 /nfs/dbraw/zinc/85/93/70/936859370.db2.gz RKHCSWAFGAXDJH-OAHLLOKOSA-N 2 0 281.444 1.733 10 0 CDAERP C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C[C@H]1COCCO1 ZINC000923392504 923800432 /nfs/dbraw/zinc/80/04/32/923800432.db2.gz XJDQPRQYXIHOJI-DKUMPPAJSA-N 2 0 268.401 1.254 10 0 CDAERP CCC[C@@H](C(=O)OCC)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923449757 923841568 /nfs/dbraw/zinc/84/15/68/923841568.db2.gz BXMDDMYGWAVPBZ-KGLIPLIRSA-N 2 0 298.427 1.548 10 0 CDAERP C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]C/C=C/Cl ZINC001491486747 936923059 /nfs/dbraw/zinc/92/30/59/936923059.db2.gz OMGUUJGFOCFXFP-BLUMVJBISA-N 2 0 287.835 1.708 10 0 CDAERP CCN(CC[NH2+]C/C=C\Cl)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001273751968 925214200 /nfs/dbraw/zinc/21/42/00/925214200.db2.gz AXTIHWHXAXEJRW-RNZFLTOJSA-N 2 0 273.808 1.129 10 0 CDAERP OC1(C[NH+]2CCCCC2)CC[NH+](CC2CC2)CC1 ZINC001198612983 925478510 /nfs/dbraw/zinc/47/85/10/925478510.db2.gz UBZMSEFYLPGHGG-UHFFFAOYSA-N 2 0 252.402 1.709 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CCC1CC1 ZINC001410458033 925736607 /nfs/dbraw/zinc/73/66/07/925736607.db2.gz UVBFDVVQKWSJDN-DZKIICNBSA-N 2 0 295.471 1.953 10 0 CDAERP CCC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001488802986 926696560 /nfs/dbraw/zinc/69/65/60/926696560.db2.gz BHOVZIUFVXKZOZ-NMWPEEMBSA-N 2 0 281.444 1.754 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001488878178 926748345 /nfs/dbraw/zinc/74/83/45/926748345.db2.gz GLAUHBAMXPVVBO-AAVRWANBSA-N 2 0 285.407 1.171 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+][C@H](C)COC)C(C)(C)C1 ZINC001411097066 927009781 /nfs/dbraw/zinc/00/97/81/927009781.db2.gz JBKHXVUFYJILQA-KGLIPLIRSA-N 2 0 299.459 1.190 10 0 CDAERP CCC[N@H+](C)CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001490257479 927060745 /nfs/dbraw/zinc/06/07/45/927060745.db2.gz FNBAISVRVXNUPQ-CABCVRRESA-N 2 0 281.444 1.851 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@@H]([NH2+]C/C=C\Cl)C1CC1 ZINC001490739711 927315392 /nfs/dbraw/zinc/31/53/92/927315392.db2.gz KVZPOOKYDRGFPQ-ACVFHECNSA-N 2 0 285.819 1.319 10 0 CDAERP c1ncc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cn1 ZINC000850420371 927430758 /nfs/dbraw/zinc/43/07/58/927430758.db2.gz NFVDBTNOCSPYAQ-UHFFFAOYSA-N 2 0 260.385 1.688 10 0 CDAERP CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)C(C)C ZINC001568470188 1169304916 /nfs/dbraw/zinc/30/49/16/1169304916.db2.gz JIRYUXQGCXDRNZ-KGLIPLIRSA-N 2 0 269.433 1.611 10 0 CDAERP CC[N@H+](CCNC(=O)N[C@H]1CC[NH2+]C12CCC2)C(C)C ZINC000861570024 929308014 /nfs/dbraw/zinc/30/80/14/929308014.db2.gz JNQBEXACKSUGLQ-ZDUSSCGKSA-N 2 0 282.432 1.301 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC/C=C\C[NH2+]CCCF)C1 ZINC001274499880 931504508 /nfs/dbraw/zinc/50/45/08/931504508.db2.gz YPRZOUOHKHFYSR-LPUOJRKPSA-N 2 0 299.434 1.728 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC ZINC001274725330 931560395 /nfs/dbraw/zinc/56/03/95/931560395.db2.gz AUUDJPVUMXDEER-STQMWFEESA-N 2 0 255.406 1.365 10 0 CDAERP C[C@H](C[NH2+]CC1CCC1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001274918957 931609713 /nfs/dbraw/zinc/60/97/13/931609713.db2.gz HBCVQUSXKXKRLX-QWHCGFSZSA-N 2 0 267.417 1.223 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CCF ZINC001275794807 932044421 /nfs/dbraw/zinc/04/44/21/932044421.db2.gz YPRURIYGAAASND-STQMWFEESA-N 2 0 273.396 1.172 10 0 CDAERP COCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001275817932 932062528 /nfs/dbraw/zinc/06/25/28/932062528.db2.gz TZIWCLIACVOSPX-LSDHHAIUSA-N 2 0 299.459 1.238 10 0 CDAERP CCN1CC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001147145211 932426799 /nfs/dbraw/zinc/42/67/99/932426799.db2.gz BLOHHXHFHXBRPY-CHWSQXEVSA-N 2 0 267.417 1.317 10 0 CDAERP CN(CCC[NH2+]C/C=C/Cl)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001276076051 932493853 /nfs/dbraw/zinc/49/38/53/932493853.db2.gz JBABATYUIOXEGN-LJLILKBBSA-N 2 0 287.835 1.661 10 0 CDAERP CC1(C)CC[C@H](C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)OC1 ZINC000925734023 932934751 /nfs/dbraw/zinc/93/47/51/932934751.db2.gz ZKNXGUSYXPPZAX-FXUDXRNXSA-N 2 0 296.455 1.938 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]CCOC2CCOCC2)[C@@H](C)C1 ZINC000927078233 933041871 /nfs/dbraw/zinc/04/18/71/933041871.db2.gz KCORTIFTZOWYFR-ZFWWWQNUSA-N 2 0 270.417 1.502 10 0 CDAERP CC[NH+](CC)CCC[N@@H+]1[C@H](C)CC[C@H](C(N)=O)[C@H]1C ZINC000930912079 933474479 /nfs/dbraw/zinc/47/44/79/933474479.db2.gz RZZBVUPHNJHNMC-MCIONIFRSA-N 2 0 269.433 1.693 10 0 CDAERP CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001413000707 935156375 /nfs/dbraw/zinc/15/63/75/935156375.db2.gz HRKDVNHOBFHWON-KFWWJZLASA-N 2 0 281.444 1.659 10 0 CDAERP Cc1ccc(C(=O)NCC[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000405263262 940977963 /nfs/dbraw/zinc/97/79/63/940977963.db2.gz PZLMRQPISROWCG-GJZGRUSLSA-N 2 0 287.407 1.584 10 0 CDAERP CC1CC[NH+](CCN[C@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000405360848 940985022 /nfs/dbraw/zinc/98/50/22/940985022.db2.gz UBITZRSVZDTPHQ-KBPBESRZSA-N 2 0 251.418 1.578 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001276978374 941765721 /nfs/dbraw/zinc/76/57/21/941765721.db2.gz LIZSSOOZEIPUHZ-ZIAGYGMSSA-N 2 0 269.433 1.563 10 0 CDAERP O=C(CC[N@H+]1CC[C@@H](F)C1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC001362092177 970875322 /nfs/dbraw/zinc/87/53/22/970875322.db2.gz QBOIROAHSOLBOP-CABCVRRESA-N 2 0 297.418 1.507 10 0 CDAERP CC(C)C[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001277225233 942195879 /nfs/dbraw/zinc/19/58/79/942195879.db2.gz QUMQCUZWHMTKHY-CYBMUJFWSA-N 2 0 267.417 1.223 10 0 CDAERP CC[NH2+]CC[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001280251350 942425772 /nfs/dbraw/zinc/42/57/72/942425772.db2.gz JQICPIJZNORIQG-CYBMUJFWSA-N 2 0 255.406 1.176 10 0 CDAERP CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001282182845 942673240 /nfs/dbraw/zinc/67/32/40/942673240.db2.gz CHXUZBYGCZLAOO-NWDGAFQWSA-N 2 0 255.406 1.221 10 0 CDAERP CCC[NH+]1CC([C@@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001282745182 942748947 /nfs/dbraw/zinc/74/89/47/942748947.db2.gz VDSUQEAASKHSQA-QWHCGFSZSA-N 2 0 267.417 1.175 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001284247796 943129263 /nfs/dbraw/zinc/12/92/63/943129263.db2.gz RBBGDNRWHYUCFU-KBPBESRZSA-N 2 0 267.417 1.367 10 0 CDAERP CN(C(=O)C[NH+]1CCCC1)[C@@H](C[NH2+]CCC1CC1)C1CC1 ZINC001277727421 943422290 /nfs/dbraw/zinc/42/22/90/943422290.db2.gz VKTSFDPLGRTGTK-INIZCTEOSA-N 2 0 293.455 1.709 10 0 CDAERP C[C@H]1C[C@H](N(C)C(=O)c2ccc(CN(C)C)o2)CC[N@@H+]1C ZINC001362189057 970994616 /nfs/dbraw/zinc/99/46/16/970994616.db2.gz VBFBHYFGZXWKIB-QWHCGFSZSA-N 2 0 293.411 1.896 10 0 CDAERP C[C@@H](CN(C)C(=O)C[N@H+](C)C1CCC1)[NH2+]CCCF ZINC001277844781 943794912 /nfs/dbraw/zinc/79/49/12/943794912.db2.gz JPYZSSVUNODARP-LBPRGKRZSA-N 2 0 273.396 1.267 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCCCC[C@@H]([NH2+]CCOC)C1 ZINC001264683395 944163461 /nfs/dbraw/zinc/16/34/61/944163461.db2.gz CHRALSUACFKPEZ-OAHLLOKOSA-N 2 0 299.459 1.335 10 0 CDAERP C[C@@H]([NH2+]CCCF)[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001265094727 944228290 /nfs/dbraw/zinc/22/82/90/944228290.db2.gz IXRSYRLGNQQLBH-CABCVRRESA-N 2 0 299.434 1.801 10 0 CDAERP CCC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)C1CC1 ZINC001265166029 944258525 /nfs/dbraw/zinc/25/85/25/944258525.db2.gz PFRCOWBNHPGSOJ-HNNXBMFYSA-N 2 0 281.444 1.851 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]([NH2+]CCCF)C1 ZINC001265433967 944386029 /nfs/dbraw/zinc/38/60/29/944386029.db2.gz SADDMKUQSVOXQX-STQMWFEESA-N 2 0 291.386 1.216 10 0 CDAERP CC(C)OCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001265470949 944400385 /nfs/dbraw/zinc/40/03/85/944400385.db2.gz YCYHGYRJHIXTSK-RBSFLKMASA-N 2 0 297.443 1.133 10 0 CDAERP C[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[NH2+]CCCF ZINC001265869920 944549623 /nfs/dbraw/zinc/54/96/23/944549623.db2.gz FRGBVNHTFPQOQI-ZDUSSCGKSA-N 2 0 295.402 1.816 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@H]([NH2+]CCCCCF)C1 ZINC001265928429 944578486 /nfs/dbraw/zinc/57/84/86/944578486.db2.gz BOOMIMXERTWPDU-ZDUSSCGKSA-N 2 0 273.396 1.268 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001266012885 944628317 /nfs/dbraw/zinc/62/83/17/944628317.db2.gz MNGVOQQHVWEHSJ-AWEZNQCLSA-N 2 0 267.417 1.342 10 0 CDAERP CC(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001266069558 944663120 /nfs/dbraw/zinc/66/31/20/944663120.db2.gz XKOVJUSQLOVXGL-KGLIPLIRSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001266138976 944707807 /nfs/dbraw/zinc/70/78/07/944707807.db2.gz ZYKAZDYGVRRHLJ-UKRRQHHQSA-N 2 0 281.444 1.706 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CCCNC(=O)CCC[NH+](C)C ZINC001266231244 944773354 /nfs/dbraw/zinc/77/33/54/944773354.db2.gz DHQWFFFEKUDJFC-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CCC1CC1 ZINC001568873552 1169529054 /nfs/dbraw/zinc/52/90/54/1169529054.db2.gz OMALRUOXCRKIGA-NHZBNJEXSA-N 2 0 279.428 1.533 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC001261501750 946146365 /nfs/dbraw/zinc/14/63/65/946146365.db2.gz NBSKJCLGBQIVRZ-QWHCGFSZSA-N 2 0 255.406 1.352 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1C[C@@H]([NH2+]CCF)C1 ZINC001479301420 971293232 /nfs/dbraw/zinc/29/32/32/971293232.db2.gz KGAZDVUHQCSWAO-HZSPNIEDSA-N 2 0 285.407 1.315 10 0 CDAERP COCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001479729396 971385081 /nfs/dbraw/zinc/38/50/81/971385081.db2.gz VDVCRKLJFSCXNV-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CN(CC[NH+]1CCCCC1)C(=O)C1([NH+](C)C)CCCC1 ZINC001362627654 971471875 /nfs/dbraw/zinc/47/18/75/971471875.db2.gz NBCGKDDHBYMOPR-UHFFFAOYSA-N 2 0 281.444 1.805 10 0 CDAERP CC(C)[NH2+][C@H](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001279024173 948611940 /nfs/dbraw/zinc/61/19/40/948611940.db2.gz GSFVEIMNDDKMQL-OLZOCXBDSA-N 2 0 255.406 1.173 10 0 CDAERP C[NH+](C)CCCCC(=O)N[C@H]1CC12CC[NH+](CCF)CC2 ZINC001479987232 971525305 /nfs/dbraw/zinc/52/53/05/971525305.db2.gz XDFIFPLEJNSQRS-AWEZNQCLSA-N 2 0 299.434 1.659 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001480303387 971663297 /nfs/dbraw/zinc/66/32/97/971663297.db2.gz DXHOUPQTECLBRH-CQSZACIVSA-N 2 0 267.417 1.320 10 0 CDAERP C[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001362985406 971787774 /nfs/dbraw/zinc/78/77/74/971787774.db2.gz IGUZVBHAAIGHCI-CYBMUJFWSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC1=CCCCC1 ZINC001480571215 971789824 /nfs/dbraw/zinc/78/98/24/971789824.db2.gz BQFSYPYNBOJJNG-GDBMZVCRSA-N 2 0 293.455 1.923 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH2+]CC1=CCCCC1 ZINC001480576901 971791756 /nfs/dbraw/zinc/79/17/56/971791756.db2.gz OQXIZETUSXPSBY-AWEZNQCLSA-N 2 0 281.444 1.923 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]CC=C(Cl)Cl ZINC001480597725 971799460 /nfs/dbraw/zinc/79/94/60/971799460.db2.gz SWKUYWWXOQYOCK-SNVBAGLBSA-N 2 0 296.242 1.740 10 0 CDAERP CC(C)[C@@H]1CN(C(=O)[C@@H]2CC[C@H]3C[C@@H](C)C[N@@H+]3C2)CC[NH2+]1 ZINC001362998567 971801844 /nfs/dbraw/zinc/80/18/44/971801844.db2.gz PMFXXRUOEQFLDC-WCVJEAGWSA-N 2 0 293.455 1.563 10 0 CDAERP CCCC[NH2+]C[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001480665494 971830197 /nfs/dbraw/zinc/83/01/97/971830197.db2.gz MIOAWDGFOQQEFL-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP Cc1ncc(C[NH2+][C@H](C)CCNC(=O)C[NH+]2CCCC2)o1 ZINC001480808514 971886470 /nfs/dbraw/zinc/88/64/70/971886470.db2.gz LCZYFPOVFGLWJF-GFCCVEGCSA-N 2 0 294.399 1.063 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH2+]CCF)C1CCCC1 ZINC001324517596 953423437 /nfs/dbraw/zinc/42/34/37/953423437.db2.gz KAQAMLLJTNYRQK-AWEZNQCLSA-N 2 0 287.423 1.561 10 0 CDAERP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[C@@H](CC[NH+](C)C)C1 ZINC001363562526 953458556 /nfs/dbraw/zinc/45/85/56/953458556.db2.gz KUTDJALAUXUEBQ-ZIAGYGMSSA-N 2 0 283.460 1.953 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CCCF ZINC001569168975 1169700595 /nfs/dbraw/zinc/70/05/95/1169700595.db2.gz LJLDLBHXHSJBAP-ZIAGYGMSSA-N 2 0 287.423 1.562 10 0 CDAERP CCCCC[N@H+]1C[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C1 ZINC001325763323 954062539 /nfs/dbraw/zinc/06/25/39/954062539.db2.gz SLTCAWZQSKOLRM-IYBDPMFKSA-N 2 0 295.471 1.909 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001493213154 971986460 /nfs/dbraw/zinc/98/64/60/971986460.db2.gz ZATKMMVGTCVVSV-KGLIPLIRSA-N 2 0 299.434 1.657 10 0 CDAERP CCN1CC[C@@H]1C(=O)N1CCCC[C@@H]1[C@H](C)C[NH+](C)C ZINC001364176320 954287753 /nfs/dbraw/zinc/28/77/53/954287753.db2.gz CUXBHHNQHRAITR-RBSFLKMASA-N 2 0 281.444 1.659 10 0 CDAERP OC1(C[NH+]2CCCCC2)CC[NH+](CCc2cn[nH]c2)CC1 ZINC001364522284 954735578 /nfs/dbraw/zinc/73/55/78/954735578.db2.gz TYVRHUUJCRVNKJ-UHFFFAOYSA-N 2 0 292.427 1.265 10 0 CDAERP CCN1CC[C@@H]([N@@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)C1=O ZINC001364555390 954795594 /nfs/dbraw/zinc/79/55/94/954795594.db2.gz AFIVHHJFAFYJAQ-OIISXLGYSA-N 2 0 291.439 1.415 10 0 CDAERP CCC[NH2+]C1(C)CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001328018511 955160972 /nfs/dbraw/zinc/16/09/72/955160972.db2.gz UYHUKOGBZVUVPO-ZDUSSCGKSA-N 2 0 269.433 1.707 10 0 CDAERP O=C(N1CC[C@H](C[NH2+]C/C=C/Cl)C1)C12CC[NH+](CC1)C2 ZINC001491847763 955467592 /nfs/dbraw/zinc/46/75/92/955467592.db2.gz LHHGTHLHBOEBDK-GJSZBTHVSA-N 2 0 297.830 1.273 10 0 CDAERP C[C@@H]([NH2+]CCN(C)C(=O)CC[NH+](C)C)c1ccc(F)cc1 ZINC001493681166 972099206 /nfs/dbraw/zinc/09/92/06/972099206.db2.gz CDLXJSYSQRCYAN-CYBMUJFWSA-N 2 0 295.402 1.886 10 0 CDAERP C[NH+](C)CCC(=O)NC1CC(C[NH2+]C/C=C\Cl)C1 ZINC001328913027 955549818 /nfs/dbraw/zinc/54/98/18/955549818.db2.gz USVZXUGZHWTTII-HYXAFXHYSA-N 2 0 273.808 1.175 10 0 CDAERP CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001329155092 955723826 /nfs/dbraw/zinc/72/38/26/955723826.db2.gz ZEAACWFJXYQRBR-QWHCGFSZSA-N 2 0 269.433 1.610 10 0 CDAERP C[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)[C@@H](C)[NH2+]CCF ZINC001422448075 956013209 /nfs/dbraw/zinc/01/32/09/956013209.db2.gz MBBFPBPEDCXJGP-CHWSQXEVSA-N 2 0 295.402 1.814 10 0 CDAERP CC[N@@H+]1CCN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)[C@@H](C)C1 ZINC001365411789 956014503 /nfs/dbraw/zinc/01/45/03/956014503.db2.gz WTFJARMKFFFISK-MELADBBJSA-N 2 0 282.432 1.062 10 0 CDAERP CC[C@H](C)C[NH+]1CC([C@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001422729155 956294207 /nfs/dbraw/zinc/29/42/07/956294207.db2.gz GJRAWGBYXKKGKO-KBPBESRZSA-N 2 0 295.471 1.811 10 0 CDAERP CCc1nccn1CCNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC001363446352 972173306 /nfs/dbraw/zinc/17/33/06/972173306.db2.gz IFBZHNCKAVHCBW-ZDUSSCGKSA-N 2 0 276.384 1.189 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N(C)C[C@H]2CC[NH+]2CC2CCC2)C1 ZINC001365797503 956369597 /nfs/dbraw/zinc/36/95/97/956369597.db2.gz XJRBOBGTOTUIMO-GOEBONIOSA-N 2 0 293.455 1.661 10 0 CDAERP CC(C)[NH2+]C[C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001422891150 956431599 /nfs/dbraw/zinc/43/15/99/956431599.db2.gz ARERQIWBJWGIMK-KKUMJFAQSA-N 2 0 281.444 1.754 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]([NH2+]CC2CCC2)C2CC2)C1 ZINC001366063848 956540551 /nfs/dbraw/zinc/54/05/51/956540551.db2.gz NHJTVMAWVRMMSL-HOCLYGCPSA-N 2 0 293.455 1.613 10 0 CDAERP CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ocnc1C)[NH+](C)C ZINC001423128696 956613237 /nfs/dbraw/zinc/61/32/37/956613237.db2.gz MGGZXLLXDPMMGC-AAEUAGOBSA-N 2 0 296.415 1.260 10 0 CDAERP CCC(CC)C[N@@H+]1CC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001423185016 956653790 /nfs/dbraw/zinc/65/37/90/956653790.db2.gz ZWZFJIZEACVPNQ-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC[C@H](C)F)CC1 ZINC001423307207 956715551 /nfs/dbraw/zinc/71/55/51/956715551.db2.gz KLSCHBBTZVUOSX-KBPBESRZSA-N 2 0 299.434 1.847 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC1CCC1 ZINC001366369300 956773812 /nfs/dbraw/zinc/77/38/12/956773812.db2.gz UBOCPDMGIHNRNX-HIFRSBDPSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCNC(=O)C[NH+](C)CC(C)(C)C ZINC001366562423 956969751 /nfs/dbraw/zinc/96/97/51/956969751.db2.gz DEHYWJQUEJOAGW-CYBMUJFWSA-N 2 0 289.439 1.760 10 0 CDAERP CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001331345579 956983067 /nfs/dbraw/zinc/98/30/67/956983067.db2.gz FWTUFLFFPCWYMB-HIFRSBDPSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)[N@H+](C)CCCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001316860106 957077252 /nfs/dbraw/zinc/07/72/52/957077252.db2.gz PWNVMEBHHCWRII-UHFFFAOYSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC[N@H+](C)CC1CC1 ZINC001316871736 957081713 /nfs/dbraw/zinc/08/17/13/957081713.db2.gz ZWIISERXMRJDBN-ZIAGYGMSSA-N 2 0 281.444 1.707 10 0 CDAERP COCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001424052763 957100610 /nfs/dbraw/zinc/10/06/10/957100610.db2.gz RTCWEZHTSXBWPY-LSDHHAIUSA-N 2 0 297.443 1.040 10 0 CDAERP O=C(NCC1([NH2+]CC2CC2)CCC1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001424167091 957144993 /nfs/dbraw/zinc/14/49/93/957144993.db2.gz FLLYITLSOJRKDS-CHWSQXEVSA-N 2 0 288.395 1.552 10 0 CDAERP O=C(N[C@H]1C[C@@H]([NH2+]CCCF)C1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001317111346 957278471 /nfs/dbraw/zinc/27/84/71/957278471.db2.gz ABCHKLGNUXDGON-LXTVHRRPSA-N 2 0 297.418 1.600 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001367022804 957347330 /nfs/dbraw/zinc/34/73/30/957347330.db2.gz IXZHUJUKLJVSOS-OLZOCXBDSA-N 2 0 273.396 1.265 10 0 CDAERP Cc1oncc1C[NH2+][C@H](C)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001424836967 957378167 /nfs/dbraw/zinc/37/81/67/957378167.db2.gz XNSFQYUCFAKTNJ-NEPJUHHUSA-N 2 0 296.415 1.308 10 0 CDAERP CC(C)=CC[N@@H+](C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001317466144 957496053 /nfs/dbraw/zinc/49/60/53/957496053.db2.gz KPXJRAZZWHOMBC-UHFFFAOYSA-N 2 0 281.444 1.733 10 0 CDAERP CCCC[N@@H+]1C[C@H](NC(=O)C[NH+](C)CCC)C(C)(C)C1 ZINC001425326384 957515034 /nfs/dbraw/zinc/51/50/34/957515034.db2.gz WZXSMAHBNTWDNA-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001425374737 957522005 /nfs/dbraw/zinc/52/20/05/957522005.db2.gz UTCIMQBZKLPHPD-JYJNAYRXSA-N 2 0 295.471 1.811 10 0 CDAERP CC(C)[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CC1CC1)[NH+]1CCCC1 ZINC001425700368 957604341 /nfs/dbraw/zinc/60/43/41/957604341.db2.gz UEATXBWTGOFKKW-GDBMZVCRSA-N 2 0 295.471 1.953 10 0 CDAERP CN(CC[NH2+]C/C=C/Cl)C(=O)C[N@H+](C)CC(C)(C)C ZINC001317625847 957607553 /nfs/dbraw/zinc/60/75/53/957607553.db2.gz JVXPVUBRGFUZHF-VOTSOKGWSA-N 2 0 289.851 1.765 10 0 CDAERP CC[C@@H](C(=O)N(C)CC[NH2+]CC1CCCC1)[NH+](C)C ZINC001317627313 957608636 /nfs/dbraw/zinc/60/86/36/957608636.db2.gz FMPSWVFYDPHKSQ-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001425897524 957637343 /nfs/dbraw/zinc/63/73/43/957637343.db2.gz DOBAJFDDHOABEK-SQWLQELKSA-N 2 0 299.434 1.799 10 0 CDAERP CC(C)[NH2+]C[C@](C)(NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001367189296 957834015 /nfs/dbraw/zinc/83/40/15/957834015.db2.gz CCTLTNOBBKGYOY-BBRMVZONSA-N 2 0 281.444 1.611 10 0 CDAERP COC[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001367373112 957974702 /nfs/dbraw/zinc/97/47/02/957974702.db2.gz HGIHYSLJXWAQHG-KGLIPLIRSA-N 2 0 299.459 1.332 10 0 CDAERP CC[C@H](C(=O)NC[C@H]([NH2+]C/C=C/Cl)C(C)C)[NH+](C)C ZINC001367474296 958041867 /nfs/dbraw/zinc/04/18/67/958041867.db2.gz RCNNKPPBCFJWJL-AHYBDNRGSA-N 2 0 289.851 1.810 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccsc1)[NH+](C)C ZINC001367741513 958287100 /nfs/dbraw/zinc/28/71/00/958287100.db2.gz RUYSKLUVHOSAOJ-WCQYABFASA-N 2 0 283.441 1.683 10 0 CDAERP CC[N@H+](C)CCC(=O)NCC1=CC[NH+](C[C@H](C)OC)CC1 ZINC001333432613 958334999 /nfs/dbraw/zinc/33/49/99/958334999.db2.gz RKUSWEWDCNCNNG-AWEZNQCLSA-N 2 0 297.443 1.111 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1CC[N@@H+]1CC1CCC1 ZINC001367943321 958504480 /nfs/dbraw/zinc/50/44/80/958504480.db2.gz FPHDRHGIYVSHMN-GJZGRUSLSA-N 2 0 299.434 1.657 10 0 CDAERP Cc1ccccc1C[N@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001367965754 958524289 /nfs/dbraw/zinc/52/42/89/958524289.db2.gz OWDZRAQEZOXKQX-INIZCTEOSA-N 2 0 289.423 1.637 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001319388999 958529046 /nfs/dbraw/zinc/52/90/46/958529046.db2.gz GCYQUQXUDBJOGP-CQSZACIVSA-N 2 0 281.444 1.757 10 0 CDAERP O=C(NCC1([NH2+]CC2CC2)CC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001368024727 958586226 /nfs/dbraw/zinc/58/62/26/958586226.db2.gz DCJPBKYUJCDATK-GJZGRUSLSA-N 2 0 291.439 1.652 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1C[C@H](C)CC ZINC001368429654 958835727 /nfs/dbraw/zinc/83/57/27/958835727.db2.gz CDEHNIJJBSGARV-CABCVRRESA-N 2 0 283.460 1.907 10 0 CDAERP CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCC1 ZINC001368486258 958894954 /nfs/dbraw/zinc/89/49/54/958894954.db2.gz KSLGLYDVPXOGLX-ZIAGYGMSSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CC[NH+](C)C ZINC001320165354 958982529 /nfs/dbraw/zinc/98/25/29/958982529.db2.gz NTHUPSMDEHPHNE-QWHCGFSZSA-N 2 0 255.406 1.221 10 0 CDAERP C[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cccnc1 ZINC001368710367 959072222 /nfs/dbraw/zinc/07/22/22/959072222.db2.gz SUFDGWGLPGWZAN-ZFWWWQNUSA-N 2 0 290.411 1.160 10 0 CDAERP C[C@H](NC(=O)CC1CC[NH+](C)CC1)[C@H](C)[NH2+]CCF ZINC001368881993 959225294 /nfs/dbraw/zinc/22/52/94/959225294.db2.gz QNLSAEFHPPKSIL-RYUDHWBXSA-N 2 0 273.396 1.171 10 0 CDAERP C[C@H](CC[NH2+]CC1CC(C)C1)NC(=O)C1CC[NH+](C)CC1 ZINC001320542817 959232259 /nfs/dbraw/zinc/23/22/59/959232259.db2.gz LFQKEOATGKCGIF-SHARSMKWSA-N 2 0 295.471 1.859 10 0 CDAERP CCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001368957729 959327238 /nfs/dbraw/zinc/32/72/38/959327238.db2.gz CEWIDJCONLVKIG-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP CCC[NH2+]CCN(CC)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001320891576 959443747 /nfs/dbraw/zinc/44/37/47/959443747.db2.gz MGALPZLOBLQGMP-CYBMUJFWSA-N 2 0 255.406 1.176 10 0 CDAERP CC1CC(C[NH2+]C/C=C\CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001320997937 959517984 /nfs/dbraw/zinc/51/79/84/959517984.db2.gz LVZHXLDATJVVSP-RWRSXTBPSA-N 2 0 279.428 1.389 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CC1CC1 ZINC001369266756 959589532 /nfs/dbraw/zinc/58/95/32/959589532.db2.gz XGHFLUQEIXKFLJ-GOEBONIOSA-N 2 0 295.471 1.953 10 0 CDAERP CCCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001321514416 959831559 /nfs/dbraw/zinc/83/15/59/959831559.db2.gz UHFBNCUKFFXLFO-ZIAGYGMSSA-N 2 0 269.433 1.754 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001321522800 959834070 /nfs/dbraw/zinc/83/40/70/959834070.db2.gz STURVZGZSFQHJP-UKRRQHHQSA-N 2 0 281.444 1.469 10 0 CDAERP C[C@H](C[NH2+]CC[C@H](C)F)NC(=O)C1CC[NH+](C)CC1 ZINC001321642809 959886886 /nfs/dbraw/zinc/88/68/86/959886886.db2.gz XLPGVRCJFNJCRN-NWDGAFQWSA-N 2 0 273.396 1.171 10 0 CDAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCCF ZINC001321842000 959980116 /nfs/dbraw/zinc/98/01/16/959980116.db2.gz KDQPOXJSDZCPPO-STQMWFEESA-N 2 0 273.396 1.313 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](CC[NH2+]CCF)C1 ZINC001495394138 972487261 /nfs/dbraw/zinc/48/72/61/972487261.db2.gz VIZRNAJOKFSEGD-AWEZNQCLSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001323107333 960460197 /nfs/dbraw/zinc/46/01/97/960460197.db2.gz AVXGRJCQBMCQOL-OAHLLOKOSA-N 2 0 279.428 1.533 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@H+]1CCCCCF ZINC001323358669 960676615 /nfs/dbraw/zinc/67/66/15/960676615.db2.gz VYJCMRMRUKREIE-AWEZNQCLSA-N 2 0 285.407 1.413 10 0 CDAERP CN(C[C@@H]1CC[N@@H+]1Cc1ccccc1)C(=O)CC[NH+](C)C ZINC001418596506 960778714 /nfs/dbraw/zinc/77/87/14/960778714.db2.gz JYVJBFMCEHWYQP-INIZCTEOSA-N 2 0 289.423 1.671 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001418880863 961127669 /nfs/dbraw/zinc/12/76/69/961127669.db2.gz AFBXDPWRPXPQEK-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP CCOCCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001324081532 961157525 /nfs/dbraw/zinc/15/75/25/961157525.db2.gz OEKQHJSOJNHQEK-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)CC2CCC2)C1 ZINC001418941629 961178970 /nfs/dbraw/zinc/17/89/70/961178970.db2.gz IEZLXPJTMHPJBS-INIZCTEOSA-N 2 0 295.471 1.907 10 0 CDAERP O=C(N1CCC[C@@H]1C[NH2+]CCCF)[C@@]12CC[N@H+](C1)CCC2 ZINC001324263363 961271660 /nfs/dbraw/zinc/27/16/60/961271660.db2.gz LDBHEMMZOGCZTB-ZBFHGGJFSA-N 2 0 297.418 1.413 10 0 CDAERP CC[NH+](CC)CC[C@H](C)NC(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001434423244 961352522 /nfs/dbraw/zinc/35/25/22/961352522.db2.gz KITYBXCQROTPAE-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP CC[C@H](C[N@@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)C)C1)OC ZINC001419145956 961425246 /nfs/dbraw/zinc/42/52/46/961425246.db2.gz GWLFZJCRPODRFD-LSDHHAIUSA-N 2 0 299.459 1.286 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[NH2+]CCF ZINC001419739260 962061259 /nfs/dbraw/zinc/06/12/59/962061259.db2.gz DOUOYLRMSDDFMU-ZIAGYGMSSA-N 2 0 299.434 1.705 10 0 CDAERP CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001436419475 962244180 /nfs/dbraw/zinc/24/41/80/962244180.db2.gz QPYZGULSHAXBGZ-LSDHHAIUSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CC1CC1 ZINC001436437563 962257391 /nfs/dbraw/zinc/25/73/91/962257391.db2.gz GIHPCUKZRLYUGY-LSDHHAIUSA-N 2 0 293.455 1.707 10 0 CDAERP COC[C@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001420052089 962422891 /nfs/dbraw/zinc/42/28/91/962422891.db2.gz PDYVHIZOBYKRRL-LSDHHAIUSA-N 2 0 299.459 1.284 10 0 CDAERP C[C@H](C(=O)N1CCC(C)([NH+](C)C)CC1)n1ccnc1 ZINC001339701830 962491368 /nfs/dbraw/zinc/49/13/68/962491368.db2.gz NISLXQDHQFNQST-GFCCVEGCSA-N 2 0 264.373 1.387 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001436954900 962524598 /nfs/dbraw/zinc/52/45/98/962524598.db2.gz QIUVOOGXPHTAEZ-XQLPTFJDSA-N 2 0 299.434 1.846 10 0 CDAERP CC(C)CCC[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001420222623 962600247 /nfs/dbraw/zinc/60/02/47/962600247.db2.gz VVAWZEDWEHKQDF-HUUCEWRRSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cccc(Cl)c1 ZINC001437204288 962735893 /nfs/dbraw/zinc/73/58/93/962735893.db2.gz UIFKHFLOVAFAJO-LBPRGKRZSA-N 2 0 297.830 1.886 10 0 CDAERP CC(C)CC[NH2+][C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001437226269 962755973 /nfs/dbraw/zinc/75/59/73/962755973.db2.gz ZAGAIEVNYDJEQI-OAHLLOKOSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC001437723891 963146430 /nfs/dbraw/zinc/14/64/30/963146430.db2.gz FQCTULSHQNBUMZ-UKRRQHHQSA-N 2 0 279.428 1.176 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CC1)C1CC1 ZINC001420747008 963219197 /nfs/dbraw/zinc/21/91/97/963219197.db2.gz VUWMSVLPNKMVFM-CVEARBPZSA-N 2 0 293.455 1.754 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001420775979 963234756 /nfs/dbraw/zinc/23/47/56/963234756.db2.gz YYRXYROPJNNZSP-HIFRSBDPSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@@H](C)C[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001437991109 963274560 /nfs/dbraw/zinc/27/45/60/963274560.db2.gz KYCJIPFUMHAJPF-CABCVRRESA-N 2 0 283.460 1.765 10 0 CDAERP C[N@H+](CCCF)C[C@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001438003859 963280908 /nfs/dbraw/zinc/28/09/08/963280908.db2.gz WVZRWTSEGPESJL-HUUCEWRRSA-N 2 0 299.434 1.468 10 0 CDAERP C[C@@H](F)CC[NH+]1CC(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001438131514 963333849 /nfs/dbraw/zinc/33/38/49/963333849.db2.gz XCQDOIRXBKPSKD-GFCCVEGCSA-N 2 0 285.407 1.267 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001438548209 963483918 /nfs/dbraw/zinc/48/39/18/963483918.db2.gz CKOVRDBOFXZAJM-CHWSQXEVSA-N 2 0 273.396 1.172 10 0 CDAERP Cc1ncoc1C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001438637226 963509067 /nfs/dbraw/zinc/50/90/67/963509067.db2.gz NXXQEEKBAJONKX-WCQYABFASA-N 2 0 294.399 1.014 10 0 CDAERP CCN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001421359299 963567647 /nfs/dbraw/zinc/56/76/47/963567647.db2.gz JTGOTJRGXJWLBR-INIZCTEOSA-N 2 0 293.455 1.805 10 0 CDAERP C[C@@H](C[N@H+](C)CCC(F)(F)F)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001439402675 963751230 /nfs/dbraw/zinc/75/12/30/963751230.db2.gz DBITYGCBHUZVCI-WDEREUQCSA-N 2 0 295.349 1.327 10 0 CDAERP CC(C)C[NH2+]C[C@@]1(C)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001439902539 963892570 /nfs/dbraw/zinc/89/25/70/963892570.db2.gz NYKHQVAYSUCDGO-DOTOQJQBSA-N 2 0 295.471 1.812 10 0 CDAERP CC(C)[NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001440291295 963972233 /nfs/dbraw/zinc/97/22/33/963972233.db2.gz WKHPXHAEIXHUAH-OKILXGFUSA-N 2 0 281.444 1.754 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001440307422 963979338 /nfs/dbraw/zinc/97/93/38/963979338.db2.gz QJBZVZHYXWSZAI-GASCZTMLSA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)C[NH2+][C@H]1C[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001440313650 963981817 /nfs/dbraw/zinc/98/18/17/963981817.db2.gz QOVRRNNDJWWOLJ-KFWWJZLASA-N 2 0 281.444 1.469 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@H]1CC[C@@H]([NH2+]CCC2CC2)C1 ZINC001440409939 964022174 /nfs/dbraw/zinc/02/21/74/964022174.db2.gz ZYYULXHEHNHMBF-JKSUJKDBSA-N 2 0 293.455 1.757 10 0 CDAERP C[C@@H](NC(=O)CC1CC[NH+](C)CC1)[C@@H](C)[NH2+]CC1CC1 ZINC001440829366 964199919 /nfs/dbraw/zinc/19/99/19/964199919.db2.gz FJUKJRANRSPVRW-CHWSQXEVSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001441296750 964455451 /nfs/dbraw/zinc/45/54/51/964455451.db2.gz QPJSKVBPPZCMDT-CVEARBPZSA-N 2 0 295.471 1.765 10 0 CDAERP O=C(CC[NH+]1CCCCC1)NC[C@@H]1[C@H]2C[N@H+](CCF)C[C@H]21 ZINC001441314490 964460094 /nfs/dbraw/zinc/46/00/94/964460094.db2.gz FVSLZIFYGIHTAV-QKDCVEJESA-N 2 0 297.418 1.126 10 0 CDAERP CO[C@@H](C)C[NH2+][C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001441413575 964502634 /nfs/dbraw/zinc/50/26/34/964502634.db2.gz DNTKQDYPOOOZPR-RRFJBIMHSA-N 2 0 299.459 1.236 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCC[NH+]2CCCF)C1 ZINC001441655383 964637620 /nfs/dbraw/zinc/63/76/20/964637620.db2.gz YARUVPXVLGDKQF-GJZGRUSLSA-N 2 0 299.434 1.659 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCCC[NH+]2CC2CC2)C1 ZINC001441659205 964640673 /nfs/dbraw/zinc/64/06/73/964640673.db2.gz MJGIGPMDUVISDI-CVEARBPZSA-N 2 0 293.455 1.709 10 0 CDAERP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccsc1 ZINC001442014784 964831889 /nfs/dbraw/zinc/83/18/89/964831889.db2.gz WAYHVJYUHNDKHG-OLZOCXBDSA-N 2 0 295.452 1.684 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(F)cc1 ZINC001442055890 964850017 /nfs/dbraw/zinc/85/00/17/964850017.db2.gz VOSFOMOJVJWXIG-JSGCOSHPSA-N 2 0 293.386 1.372 10 0 CDAERP CC(C)=CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001569414454 1169866403 /nfs/dbraw/zinc/86/64/03/1169866403.db2.gz MFHNMPBZVSYVAH-GJZGRUSLSA-N 2 0 293.455 1.921 10 0 CDAERP C[C@@H]1C[C@H]2CC[C@H](C(=O)NCCC[NH+]3CCCC3)C[N@@H+]2C1 ZINC001347262950 965445316 /nfs/dbraw/zinc/44/53/16/965445316.db2.gz XKKQCIHNESRLGN-OWCLPIDISA-N 2 0 293.455 1.709 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001443811927 965619577 /nfs/dbraw/zinc/61/95/77/965619577.db2.gz JPAGHVSHUXKCML-HIFRSBDPSA-N 2 0 299.434 1.752 10 0 CDAERP O=C(C[NH+]1CCCC1)NCC1([NH2+]CCF)CCCC1 ZINC001444538851 965865304 /nfs/dbraw/zinc/86/53/04/965865304.db2.gz SDANPBWUSLHGKP-UHFFFAOYSA-N 2 0 271.380 1.070 10 0 CDAERP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001444863834 965980248 /nfs/dbraw/zinc/98/02/48/965980248.db2.gz WYQMGQBSYSFIDT-XHSDSOJGSA-N 2 0 295.471 1.907 10 0 CDAERP CC(C)C[NH2+][C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C(C)C ZINC001444926713 966005374 /nfs/dbraw/zinc/00/53/74/966005374.db2.gz BURPVRFZKIXMGP-HUUCEWRRSA-N 2 0 283.460 1.715 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001444987174 966041922 /nfs/dbraw/zinc/04/19/22/966041922.db2.gz ISFHAOCZBGYXNN-DZGCQCFKSA-N 2 0 299.434 1.467 10 0 CDAERP Cc1cc(C[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C(C)C)sn1 ZINC001445495645 966211508 /nfs/dbraw/zinc/21/15/08/966211508.db2.gz DGHKEWLVGFZXNP-GFCCVEGCSA-N 2 0 298.456 1.386 10 0 CDAERP Cc1cncc(C[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C(C)C)c1 ZINC001445659954 966269655 /nfs/dbraw/zinc/26/96/55/966269655.db2.gz VIGLMKKTBKAADV-AWEZNQCLSA-N 2 0 292.427 1.325 10 0 CDAERP CCCCCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H]2C[NH+](C)C[C@@H]12 ZINC001349780627 966468103 /nfs/dbraw/zinc/46/81/03/966468103.db2.gz YKLBNJBVGWGEJC-BZUAXINKSA-N 2 0 295.471 1.955 10 0 CDAERP CCC(CC)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001446462049 966549720 /nfs/dbraw/zinc/54/97/20/966549720.db2.gz NGSIMGLIRMBFBY-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001446552531 966579568 /nfs/dbraw/zinc/57/95/68/966579568.db2.gz CCAMSDMHFACWBO-TZMCWYRMSA-N 2 0 273.396 1.267 10 0 CDAERP COCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C ZINC001447765305 966866497 /nfs/dbraw/zinc/86/64/97/966866497.db2.gz XWBHECREIPNYTG-LSDHHAIUSA-N 2 0 297.443 1.040 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@H]([NH2+]CC2CCCC2)C1 ZINC001480116297 967088541 /nfs/dbraw/zinc/08/85/41/967088541.db2.gz UOZIOEOWRPXJKV-AWEZNQCLSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]CCC(F)(F)F ZINC001448783426 967252812 /nfs/dbraw/zinc/25/28/12/967252812.db2.gz LZRDXTWMADSALA-LLVKDONJSA-N 2 0 295.349 1.471 10 0 CDAERP CC[N@@H+]1CCC[C@@H](CNC(=[NH2+])N[C@H](C)C2CC2)C1 ZINC001355379918 969138209 /nfs/dbraw/zinc/13/82/09/969138209.db2.gz FTRHPXFDGROOKW-NEPJUHHUSA-N 2 0 252.406 1.631 10 0 CDAERP CCCC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000848998825 969390140 /nfs/dbraw/zinc/39/01/40/969390140.db2.gz ANRZURUXRAIALL-CABCVRRESA-N 2 0 296.459 1.886 10 0 CDAERP C([N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1([C@H]2CCCCO2)CCC1 ZINC001459330784 969414714 /nfs/dbraw/zinc/41/47/14/969414714.db2.gz HOHCNWGPUUXAQD-QLFBSQMISA-N 2 0 264.413 1.877 10 0 CDAERP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@H]2CCCC[C@H]2O)CC1 ZINC001460109456 969477033 /nfs/dbraw/zinc/47/70/33/969477033.db2.gz BWTFTNXUNZESGA-HZPDHXFCSA-N 2 0 298.471 1.610 10 0 CDAERP CC1CC[NH+](CCCNC2=[NH+]CCCCN2)CC1 ZINC000849215270 969916739 /nfs/dbraw/zinc/91/67/39/969916739.db2.gz YRWZPGJFBQDJMT-UHFFFAOYSA-N 2 0 252.406 1.437 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)NCC2=CC[NH+](C)CC2)C1 ZINC001546154826 969929472 /nfs/dbraw/zinc/92/94/72/969929472.db2.gz OZZRMZYLHRJASN-OAHLLOKOSA-N 2 0 279.428 1.485 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CC(C)C ZINC001496079556 969950557 /nfs/dbraw/zinc/95/05/57/969950557.db2.gz HOXOUQCHQAUQRJ-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP CCC[NH2+]C[C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001495683413 972592313 /nfs/dbraw/zinc/59/23/13/972592313.db2.gz PYZRJRMSNIZUAG-UONOGXRCSA-N 2 0 269.433 1.613 10 0 CDAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C[NH2+]CCCF ZINC001495742862 972617797 /nfs/dbraw/zinc/61/77/97/972617797.db2.gz KAXQTIFVPYPFJY-STQMWFEESA-N 2 0 273.396 1.030 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001371765946 972630731 /nfs/dbraw/zinc/63/07/31/972630731.db2.gz XCCZRGCUJAUKGH-GJZGRUSLSA-N 2 0 283.460 2.000 10 0 CDAERP CCCCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001496354641 972898272 /nfs/dbraw/zinc/89/82/72/972898272.db2.gz BXGBNXPKQAFOHH-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001496372174 972899896 /nfs/dbraw/zinc/89/98/96/972899896.db2.gz VRTYXBOUWJGYBA-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH+](C)C[C@H]1CCCOC1 ZINC001496845399 973121316 /nfs/dbraw/zinc/12/13/16/973121316.db2.gz QIKGVXCKOBBEFW-OAHLLOKOSA-N 2 0 299.459 1.143 10 0 CDAERP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)CC[NH+](C)C)c(C)o1 ZINC001497263054 973266653 /nfs/dbraw/zinc/26/66/53/973266653.db2.gz KSPDGTOIJAEYNQ-NSHDSACASA-N 2 0 296.415 1.228 10 0 CDAERP CCCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001373130212 973278678 /nfs/dbraw/zinc/27/86/78/973278678.db2.gz PTGIVODITGHMDG-OAHLLOKOSA-N 2 0 281.444 1.804 10 0 CDAERP CCN(CC[NH2+]CC(C)C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001497383668 973326833 /nfs/dbraw/zinc/32/68/33/973326833.db2.gz LZQMYYIESOIYTJ-ZIAGYGMSSA-N 2 0 269.433 1.421 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001373278763 973342722 /nfs/dbraw/zinc/34/27/22/973342722.db2.gz FVOPXJBEGLJKMA-OWCLPIDISA-N 2 0 295.471 1.907 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CCCF ZINC001417822313 973404239 /nfs/dbraw/zinc/40/42/39/973404239.db2.gz GXTGAFXOSWQOGO-UONOGXRCSA-N 2 0 299.434 1.799 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)CC)CC[N@@H+]1CCCF ZINC001417827217 973407187 /nfs/dbraw/zinc/40/71/87/973407187.db2.gz RYEIPDJAZQYRLX-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC[C@@H](C)F)C1 ZINC001373613163 973517786 /nfs/dbraw/zinc/51/77/86/973517786.db2.gz QPNQWDYWNSSVLO-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP Cc1cc(C[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C)cs1 ZINC001497901128 973568672 /nfs/dbraw/zinc/56/86/72/973568672.db2.gz YHJAHNHNZSCQIV-LLVKDONJSA-N 2 0 283.441 1.603 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001497909743 973575264 /nfs/dbraw/zinc/57/52/64/973575264.db2.gz BYJQBLKLAVHMQS-CHWSQXEVSA-N 2 0 255.406 1.079 10 0 CDAERP C[C@H](C[NH2+]CC=C(Cl)Cl)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001497983312 973598341 /nfs/dbraw/zinc/59/83/41/973598341.db2.gz ARSDTPPDEFKGQJ-NXEZZACHSA-N 2 0 294.226 1.351 10 0 CDAERP C[C@H](F)CC[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001418124556 973600268 /nfs/dbraw/zinc/60/02/68/973600268.db2.gz QSIUONDRMZHYHH-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@H](C[NH2+]CC1CCCC1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001374283272 973876415 /nfs/dbraw/zinc/87/64/15/973876415.db2.gz RNBUZHJMUBQTQE-HUUCEWRRSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[NH2+]CCCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001498658053 974013039 /nfs/dbraw/zinc/01/30/39/974013039.db2.gz LYNLKULNZCXZAZ-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[N@H+](C)C(C)C ZINC001374574437 974030219 /nfs/dbraw/zinc/03/02/19/974030219.db2.gz ZUVXELZNRHPQCP-CABCVRRESA-N 2 0 283.460 1.857 10 0 CDAERP CCC[N@@H+]1CCC[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001569719515 1169974096 /nfs/dbraw/zinc/97/40/96/1169974096.db2.gz MCHPBUCUGDZPOO-HNNXBMFYSA-N 2 0 269.433 1.566 10 0 CDAERP C[C@@H](C[N@H+](C)CC1CC1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001375086527 974253713 /nfs/dbraw/zinc/25/37/13/974253713.db2.gz ILMPWAMKPREFQE-ZDUSSCGKSA-N 2 0 281.444 1.707 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccsc2)CC1 ZINC001375455638 974387616 /nfs/dbraw/zinc/38/76/16/974387616.db2.gz USNAPZSXPVIXPA-CYBMUJFWSA-N 2 0 293.436 1.581 10 0 CDAERP C[NH+](C)C1(C(=O)N2CC[C@@](C)(C[NH2+]CCCF)C2)CCC1 ZINC001500353961 974426281 /nfs/dbraw/zinc/42/62/81/974426281.db2.gz IFLCZQSIVXUBAD-HNNXBMFYSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001375595661 974433162 /nfs/dbraw/zinc/43/31/62/974433162.db2.gz KDGCRDAPZHYELI-OAGGEKHMSA-N 2 0 295.471 1.811 10 0 CDAERP CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001501084411 974530142 /nfs/dbraw/zinc/53/01/42/974530142.db2.gz VANLEIJAKWEJDT-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001501718233 974629985 /nfs/dbraw/zinc/62/99/85/974629985.db2.gz FUDILWGLSYUCGO-SHTZXODSSA-N 2 0 293.455 1.757 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]2C[NH+](CC)CC[C@H]21 ZINC001376450258 974666585 /nfs/dbraw/zinc/66/65/85/974666585.db2.gz JRSDYQPFMJUALN-LSDHHAIUSA-N 2 0 281.444 1.661 10 0 CDAERP CC1CC[NH+](CC(=O)N[C@H]2C[C@@H]([NH2+]C/C=C\Cl)C2)CC1 ZINC001376481379 974672569 /nfs/dbraw/zinc/67/25/69/974672569.db2.gz QRNZFYBAQQPRQM-JIWWZPHESA-N 2 0 299.846 1.708 10 0 CDAERP CCC[NH2+]C1(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)CCC1 ZINC001502021125 974676435 /nfs/dbraw/zinc/67/64/35/974676435.db2.gz RZLINHFTNIUYQM-HNNXBMFYSA-N 2 0 279.428 1.511 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001376790622 974769789 /nfs/dbraw/zinc/76/97/89/974769789.db2.gz IFAOTDSJOKIXSM-VXGBXAGGSA-N 2 0 273.396 1.171 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cc(F)cc(F)c1 ZINC001376813433 974780749 /nfs/dbraw/zinc/78/07/49/974780749.db2.gz UKSFXJXNICMQBY-NSHDSACASA-N 2 0 299.365 1.511 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NCC[C@@H](C)[NH2+]C[C@@H]1CCCOC1 ZINC001377110514 974887041 /nfs/dbraw/zinc/88/70/41/974887041.db2.gz MOPHFEJNFMJNSY-CABCVRRESA-N 2 0 299.459 1.238 10 0 CDAERP CC[N@H+](CCCF)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001377337608 974979560 /nfs/dbraw/zinc/97/95/60/974979560.db2.gz AKHBMTCIYSRSBA-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001377623767 975090497 /nfs/dbraw/zinc/09/04/97/975090497.db2.gz UYLCPRPSKBFFOL-DZGCQCFKSA-N 2 0 283.460 1.953 10 0 CDAERP CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001506065859 975106207 /nfs/dbraw/zinc/10/62/07/975106207.db2.gz XMWKGMYNZFQULT-CHWSQXEVSA-N 2 0 255.406 1.317 10 0 CDAERP CCOCC[N@@H+]1C[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001506749962 975217214 /nfs/dbraw/zinc/21/72/14/975217214.db2.gz WEGODBRSWOCEMX-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CC(C)C ZINC001378049398 975219189 /nfs/dbraw/zinc/21/91/89/975219189.db2.gz AKSJWHBGDLXUCP-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C[NH2+]CCF)C1CC1 ZINC001507013843 975296330 /nfs/dbraw/zinc/29/63/30/975296330.db2.gz ZTOMEYRYHWBPOA-CABCVRRESA-N 2 0 299.434 1.657 10 0 CDAERP C[C@@H](CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]CCCF ZINC001507087362 975331002 /nfs/dbraw/zinc/33/10/02/975331002.db2.gz XGOINVDSAYVMLH-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP CCC[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)CC)CCC[C@@H]12 ZINC001507350884 975426945 /nfs/dbraw/zinc/42/69/45/975426945.db2.gz CKDHBDBJCDWYRQ-GDBMZVCRSA-N 2 0 281.444 1.851 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001401085617 975452520 /nfs/dbraw/zinc/45/25/20/975452520.db2.gz TUBQPXVOACIQFW-BFHYXJOUSA-N 2 0 285.407 1.409 10 0 CDAERP CO[C@@H](C)C[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001378799827 975495040 /nfs/dbraw/zinc/49/50/40/975495040.db2.gz AEAHELVTNFZGAU-KGLIPLIRSA-N 2 0 299.459 1.332 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC(C)C)CC[N@@H+]1C ZINC001401217209 975525070 /nfs/dbraw/zinc/52/50/70/975525070.db2.gz UQBUUICLERJLDM-QLFBSQMISA-N 2 0 283.460 1.809 10 0 CDAERP CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001378877905 975526013 /nfs/dbraw/zinc/52/60/13/975526013.db2.gz PPAQXQALQPTXLY-SOUVJXGZSA-N 2 0 283.460 1.857 10 0 CDAERP COC[C@@H](C)[NH2+]CC[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001378922667 975541893 /nfs/dbraw/zinc/54/18/93/975541893.db2.gz VIXOSFODBQVIIQ-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@@H](C[NH2+]Cc1cccnc1)N(C)C(=O)C[NH+]1CCCC1 ZINC001401251235 975545860 /nfs/dbraw/zinc/54/58/60/975545860.db2.gz ACVVBGCBISTIRE-AWEZNQCLSA-N 2 0 290.411 1.114 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1C[C@H]([NH2+]CCF)C1 ZINC001388720264 975569913 /nfs/dbraw/zinc/56/99/13/975569913.db2.gz KGAZDVUHQCSWAO-IHRRRGAJSA-N 2 0 285.407 1.315 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]CCF)C(C)C ZINC001379000102 975583830 /nfs/dbraw/zinc/58/38/30/975583830.db2.gz MBPVZBSXBJBPGQ-ZIAGYGMSSA-N 2 0 287.423 1.561 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001388790181 975595597 /nfs/dbraw/zinc/59/55/97/975595597.db2.gz XUMJSDFQABANRT-MJBXVCDLSA-N 2 0 287.423 1.655 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+](C)[C@@H](C)COC)CC[N@@H+]1C ZINC001401365755 975618897 /nfs/dbraw/zinc/61/88/97/975618897.db2.gz GLQKVRPXXLSOTI-SOUVJXGZSA-N 2 0 299.459 1.142 10 0 CDAERP COC[C@@H](C)[N@H+](C)CCN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001379065523 975634227 /nfs/dbraw/zinc/63/42/27/975634227.db2.gz OLEPEFZTGWHHSD-HUUCEWRRSA-N 2 0 299.459 1.286 10 0 CDAERP CCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](C[C@@H](C)OC)C1 ZINC001405190233 975667248 /nfs/dbraw/zinc/66/72/48/975667248.db2.gz DNTKBJFZILVZKQ-HUUCEWRRSA-N 2 0 297.443 1.040 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC001379159653 975698677 /nfs/dbraw/zinc/69/86/77/975698677.db2.gz AJRMYRKUDKPBOO-CABCVRRESA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1CCN(Cc2ocnc2C)C1)[NH+](C)C ZINC001389509206 975879711 /nfs/dbraw/zinc/87/97/11/975879711.db2.gz KUYTUZYZIPZKON-STQMWFEESA-N 2 0 294.399 1.014 10 0 CDAERP CC(C)(C(=O)NC[C@H]([NH2+]CCF)C1CC1)[NH+]1CCCC1 ZINC001389640021 975939532 /nfs/dbraw/zinc/93/95/32/975939532.db2.gz AYVWAGIBPBALDX-ZDUSSCGKSA-N 2 0 285.407 1.315 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001398343228 975949032 /nfs/dbraw/zinc/94/90/32/975949032.db2.gz PJLHUCAPERLFIG-HZPDHXFCSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001401924714 976013177 /nfs/dbraw/zinc/01/31/77/976013177.db2.gz NFZUCHQQCQHRCT-GJZGRUSLSA-N 2 0 299.434 1.801 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1([NH2+]CCC2CC2)CC1 ZINC001401947316 976036787 /nfs/dbraw/zinc/03/67/87/976036787.db2.gz NXKMHCMVCSLWCG-OAHLLOKOSA-N 2 0 293.455 1.899 10 0 CDAERP CC[C@H](C)C[N@H+](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001379768829 976059650 /nfs/dbraw/zinc/05/96/50/976059650.db2.gz SWVYAQDGIOAPGF-KBPBESRZSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001389986721 976077547 /nfs/dbraw/zinc/07/75/47/976077547.db2.gz KAVYMVLPCZPYCM-MCIONIFRSA-N 2 0 281.444 1.611 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(C)C)C1)[NH+](CC)CC ZINC001398632462 976083526 /nfs/dbraw/zinc/08/35/26/976083526.db2.gz ZUHHXUOKPSUJPD-ZNMIVQPWSA-N 2 0 283.460 2.000 10 0 CDAERP CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CC(C)C)[NH+](C)C ZINC001390152114 976141486 /nfs/dbraw/zinc/14/14/86/976141486.db2.gz AZTVYMLZMVIFKJ-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1cccc(F)c1)[NH+](C)C ZINC001406501105 976223021 /nfs/dbraw/zinc/22/30/21/976223021.db2.gz OBZYEAFKXNPXKH-SWLSCSKDSA-N 2 0 295.402 1.760 10 0 CDAERP C[C@H](F)CC[NH2+][C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001398951866 976264212 /nfs/dbraw/zinc/26/42/12/976264212.db2.gz PKONZTRIUANYND-RYUDHWBXSA-N 2 0 273.396 1.313 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC2([NH2+]CC3CC3)CC2)C1 ZINC001380158700 976273687 /nfs/dbraw/zinc/27/36/87/976273687.db2.gz SWCNTXPXQOFDAN-HUUCEWRRSA-N 2 0 293.455 1.755 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(CF)cc1 ZINC001390468151 976310816 /nfs/dbraw/zinc/31/08/16/976310816.db2.gz OKEMPNSBOZOKQT-CYBMUJFWSA-N 2 0 295.402 1.702 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CCCCC1 ZINC001390515862 976343437 /nfs/dbraw/zinc/34/34/37/976343437.db2.gz CTHUZNGJCWPDJL-DZGCQCFKSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@H](C[N@@H+](C)CC[C@H](C)F)NC(=O)C[NH+]1CCCC1 ZINC001406713952 976378349 /nfs/dbraw/zinc/37/83/49/976378349.db2.gz YXQGUJNVMLDPGG-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC[C@H]2CCCO2)C1)[NH+](C)C ZINC001402596951 976386590 /nfs/dbraw/zinc/38/65/90/976386590.db2.gz URSNDMXIXHABOL-LXTVHRRPSA-N 2 0 297.443 1.133 10 0 CDAERP CN(CCC[N@H+](C)C/C=C/Cl)C(=O)CC[NH+](C)C ZINC001402649029 976426153 /nfs/dbraw/zinc/42/61/53/976426153.db2.gz MKEIXPJJZXTLCH-VMPITWQZSA-N 2 0 275.824 1.471 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001402686615 976440958 /nfs/dbraw/zinc/44/09/58/976440958.db2.gz JFERQIUCBRXBMI-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP CC1([NH2+]CCF)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001402779460 976478486 /nfs/dbraw/zinc/47/84/86/976478486.db2.gz BWRASWKUTTZPCA-AWEZNQCLSA-N 2 0 297.418 1.268 10 0 CDAERP CC(C)CC[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001406992863 976506776 /nfs/dbraw/zinc/50/67/76/976506776.db2.gz YRDZMIKNAKGATP-UHFFFAOYSA-N 2 0 279.428 1.367 10 0 CDAERP C[C@@H](F)CC[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001406990552 976507220 /nfs/dbraw/zinc/50/72/20/976507220.db2.gz UIWLLXSOJKPRPT-CHWSQXEVSA-N 2 0 285.407 1.315 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@@H](C[NH2+]CC(C)C)C1 ZINC001380691980 976517205 /nfs/dbraw/zinc/51/72/05/976517205.db2.gz SFBHTUQPODSYQI-GJZGRUSLSA-N 2 0 283.460 1.668 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)C[C@H](C)CC ZINC001399489390 976525890 /nfs/dbraw/zinc/52/58/90/976525890.db2.gz RLDGDGNPYIGVMB-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H]1C[NH2+]CC1CCCC1 ZINC001407113893 976560430 /nfs/dbraw/zinc/56/04/30/976560430.db2.gz GQIYSMGLKGENPJ-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](F)C[NH+](CC)CC ZINC001380836731 976568847 /nfs/dbraw/zinc/56/88/47/976568847.db2.gz VRVJKOUGBXDRAA-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP CC[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)CC1CCC1 ZINC001399813405 976688473 /nfs/dbraw/zinc/68/84/73/976688473.db2.gz ZFYYPOKRJPFQSZ-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP CCCC[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001391097283 976691705 /nfs/dbraw/zinc/69/17/05/976691705.db2.gz AQHCOOAIMIRDCL-GJZGRUSLSA-N 2 0 281.444 1.566 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001391114268 976698613 /nfs/dbraw/zinc/69/86/13/976698613.db2.gz KYSXBRZGSYDOJI-CABCVRRESA-N 2 0 281.444 1.566 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1CCCCC[N@@H+]1CCCF ZINC001403326650 976885006 /nfs/dbraw/zinc/88/50/06/976885006.db2.gz WQXPHRZHBGLLEY-AWEZNQCLSA-N 2 0 287.423 1.659 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCCC1 ZINC001391535082 976941636 /nfs/dbraw/zinc/94/16/36/976941636.db2.gz GXAUVUALNIXDLM-GJZGRUSLSA-N 2 0 279.428 1.413 10 0 CDAERP C[C@H](NC(=O)C[NH+]1CCCC1)C1C[NH+](CC2CCC2)C1 ZINC001381823442 977043489 /nfs/dbraw/zinc/04/34/89/977043489.db2.gz ZXDIYTDEIATKKA-ZDUSSCGKSA-N 2 0 279.428 1.319 10 0 CDAERP CC[C@H](C(=O)NC[C@H](CC)[NH2+]CCC(F)(F)F)[NH+](C)C ZINC001391697550 977050238 /nfs/dbraw/zinc/05/02/38/977050238.db2.gz OBMNYUSRLLMFDY-WDEREUQCSA-N 2 0 297.365 1.763 10 0 CDAERP CC[C@@H](C)C[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001381867620 977060194 /nfs/dbraw/zinc/06/01/94/977060194.db2.gz CVHCERDEOHYEBR-KGLIPLIRSA-N 2 0 283.460 1.811 10 0 CDAERP CO[C@@H](C)C[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001403573401 977073641 /nfs/dbraw/zinc/07/36/41/977073641.db2.gz BEFJSKCNYZQQLR-KBPBESRZSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)CC[N@@H+]1CCCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001381925971 977085217 /nfs/dbraw/zinc/08/52/17/977085217.db2.gz BGHGBQSHCWXIKO-UHFFFAOYSA-N 2 0 295.471 1.909 10 0 CDAERP CCC(CC)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001392047637 977199726 /nfs/dbraw/zinc/19/97/26/977199726.db2.gz DVWQAXNBARLDEU-HIFRSBDPSA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1conc1C)[NH+](C)C ZINC001392123778 977228061 /nfs/dbraw/zinc/22/80/61/977228061.db2.gz NWWQBQNCNVNFEO-BXUZGUMPSA-N 2 0 296.415 1.260 10 0 CDAERP CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]CC1CCCC1)[NH+](C)C ZINC001392129283 977228652 /nfs/dbraw/zinc/22/86/52/977228652.db2.gz ZDLNAYCXNYECTB-UKRRQHHQSA-N 2 0 283.460 1.953 10 0 CDAERP CCC[NH+]1CCC([C@@H](C)NC(=O)CCC[NH+](C)C)CC1 ZINC001382558866 977308496 /nfs/dbraw/zinc/30/84/96/977308496.db2.gz CWXQQTYLVGMJME-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@H](C[NH2+]C1CC(N(C)C(=O)C[N@H+](C)C(C)C)C1)OC ZINC001404026716 977312221 /nfs/dbraw/zinc/31/22/21/977312221.db2.gz ZOMGZQRLTTZEBL-YMAMQOFZSA-N 2 0 299.459 1.331 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[NH+](CCCF)C1 ZINC001404099550 977335364 /nfs/dbraw/zinc/33/53/64/977335364.db2.gz IDIKIPWYKKHGGC-CYBMUJFWSA-N 2 0 273.396 1.124 10 0 CDAERP CC[C@H](C(=O)NC[C@H]1CC[N@H+](CC2CC2)C1)[NH+](CC)CC ZINC001404099685 977336747 /nfs/dbraw/zinc/33/67/47/977336747.db2.gz VLROMFSHUFODIU-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[C@@H](C)C[NH2+]C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001392615105 977504180 /nfs/dbraw/zinc/50/41/80/977504180.db2.gz RPJXSAZJBZVFQL-CABCVRRESA-N 2 0 283.460 1.859 10 0 CDAERP CC[C@H](F)CN1CC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001392877850 977634879 /nfs/dbraw/zinc/63/48/79/977634879.db2.gz PLLPUEVLLVWSIF-GJZGRUSLSA-N 2 0 299.434 1.801 10 0 CDAERP C[C@@H](F)CC[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001392907084 977649615 /nfs/dbraw/zinc/64/96/15/977649615.db2.gz HDVOOPKVDBJCGJ-KGLIPLIRSA-N 2 0 299.434 1.847 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@](C)(C[NH2+]CC3CCC3)C2)C1 ZINC001393171533 977724307 /nfs/dbraw/zinc/72/43/07/977724307.db2.gz VKOAHTREYNGMMW-RDJZCZTQSA-N 2 0 293.455 1.566 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[N@H+](C)CC1CC1 ZINC001394069262 978047882 /nfs/dbraw/zinc/04/78/82/978047882.db2.gz OJHKWUPZHIURLN-SWLSCSKDSA-N 2 0 279.428 1.175 10 0 CDAERP C[N@H+](CC(=O)NC[C@@H]1[C@H]2C[NH+](CC3CC3)C[C@H]21)C1CCC1 ZINC001394318360 978132511 /nfs/dbraw/zinc/13/25/11/978132511.db2.gz RIWVWIWWXZDKFN-PHZGNYQRSA-N 2 0 291.439 1.175 10 0 CDAERP COC[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001394501196 978185585 /nfs/dbraw/zinc/18/55/85/978185585.db2.gz IPNUXPAJVQFFLQ-ZIAGYGMSSA-N 2 0 299.459 1.332 10 0 CDAERP Cc1cccnc1C[NH2+][C@@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001394515413 978191198 /nfs/dbraw/zinc/19/11/98/978191198.db2.gz ACLVFBDOQGEYTO-AWEZNQCLSA-N 2 0 292.427 1.278 10 0 CDAERP Cc1ncc(C[NH2+][C@H](C)CN(C)C(=O)CCC[NH+](C)C)o1 ZINC001394531292 978194709 /nfs/dbraw/zinc/19/47/09/978194709.db2.gz YXRQVJKGJZQKIV-GFCCVEGCSA-N 2 0 296.415 1.261 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]CCC2CC2)C[C@@H]1C ZINC001394675943 978228816 /nfs/dbraw/zinc/22/88/16/978228816.db2.gz FJBKIMRZNVXXBL-DZGCQCFKSA-N 2 0 281.444 1.706 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CC2CC2)C(C)(C)C1 ZINC001394709053 978237899 /nfs/dbraw/zinc/23/78/99/978237899.db2.gz AVSADLWMKQKTTK-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001394828423 978278253 /nfs/dbraw/zinc/27/82/53/978278253.db2.gz OXVJHLMIVBOWQY-UONOGXRCSA-N 2 0 283.460 1.715 10 0 CDAERP CC(C)C[N@H+](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001676063751 1174177231 /nfs/dbraw/zinc/17/72/31/1174177231.db2.gz JVKXASKYZSNZQK-UHFFFAOYSA-N 2 0 269.433 1.517 10 0 CDAERP CC(C)CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001676401367 1174220061 /nfs/dbraw/zinc/22/00/61/1174220061.db2.gz LLMDTVBWVZWCCK-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1[NH2+]CCF ZINC001570361312 1170142171 /nfs/dbraw/zinc/14/21/71/1170142171.db2.gz BJLKYLDXQMLHGW-QWHCGFSZSA-N 2 0 273.396 1.124 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001571153266 1170341906 /nfs/dbraw/zinc/34/19/06/1170341906.db2.gz ZGWAAEDDZIQCOG-MGPQQGTHSA-N 2 0 269.433 1.469 10 0 CDAERP CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001571254150 1170355932 /nfs/dbraw/zinc/35/59/32/1170355932.db2.gz WEPNGHLAEHEVHA-ZIAGYGMSSA-N 2 0 269.433 1.754 10 0 CDAERP CC[C@H](C(=O)NCC1=CC[N@H+](CC(C)C)CC1)[NH+](C)C ZINC001571698632 1170526971 /nfs/dbraw/zinc/52/69/71/1170526971.db2.gz MDOOXEARCCMUGW-OAHLLOKOSA-N 2 0 281.444 1.731 10 0 CDAERP C[NH+](C)CCCCC(=O)N[C@H]1C[N@H+](C)CC1(C)C ZINC001652490922 1171442770 /nfs/dbraw/zinc/44/27/70/1171442770.db2.gz DEASZSDVHISRLX-LBPRGKRZSA-N 2 0 255.406 1.175 10 0 CDAERP C[NH+](C)CCCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353500116 282084032 /nfs/dbraw/zinc/08/40/32/282084032.db2.gz WLJAWYPEFTVAGG-ZNMIVQPWSA-N 3 0 253.434 1.791 10 0 CDAERP C[NH+](C)CC1(c2ccccc2)CC[NH+](CCC[NH3+])CC1 ZINC000039001998 342550516 /nfs/dbraw/zinc/55/05/16/342550516.db2.gz BXWLDARKZMLJDW-UHFFFAOYSA-N 3 0 275.440 1.931 10 0 CDAERP COC(=O)c1cccc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000601327345 342554096 /nfs/dbraw/zinc/55/40/96/342554096.db2.gz UAZSMJMASAEOSB-RISCZKNCSA-N 2 0 262.353 1.500 10 0 CDAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@]3(C)CCC[NH2+]3)CC[C@@H]21 ZINC000167540369 342073818 /nfs/dbraw/zinc/07/38/18/342073818.db2.gz AFRYPWSQULWDFN-VNHYZAJKSA-N 2 0 265.401 1.071 10 0 CDAERP C[C@H](CNC(=O)[C@@]1(C)CCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000121562546 342088666 /nfs/dbraw/zinc/08/86/66/342088666.db2.gz FFCZCDMUXWGRAN-RHSMWYFYSA-N 2 0 289.423 1.765 10 0 CDAERP CCOC(=O)COCC[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000351711297 361884156 /nfs/dbraw/zinc/88/41/56/361884156.db2.gz HELUGJZWFPIMNK-KGLIPLIRSA-N 2 0 286.416 1.228 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)CC(=O)Nc1cccc(F)c1 ZINC000629392155 361907233 /nfs/dbraw/zinc/90/72/33/361907233.db2.gz JAWWFHQOPIAKNV-GFCCVEGCSA-N 2 0 297.374 1.368 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)CCc1ccccc1 ZINC000629391620 361917552 /nfs/dbraw/zinc/91/75/52/361917552.db2.gz BWGBNFSGFVNGDV-AWEZNQCLSA-N 2 0 250.386 1.833 10 0 CDAERP Cc1cc(C[NH2+]CCOCCC[NH3+])cc2cccnc12 ZINC000629399018 361921420 /nfs/dbraw/zinc/92/14/20/361921420.db2.gz AMTQHEMIGGPENU-UHFFFAOYSA-N 2 0 273.380 1.998 10 0 CDAERP COc1cc(C)c(C[NH2+]CCOCCC[NH3+])c(C)n1 ZINC000629400152 361937989 /nfs/dbraw/zinc/93/79/89/361937989.db2.gz OZANLLWVRYBICB-UHFFFAOYSA-N 2 0 267.373 1.162 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CCOCCC[NH3+])CN1Cc1ccccc1 ZINC000629401596 361940761 /nfs/dbraw/zinc/94/07/61/361940761.db2.gz TXPBHHNJKONYMG-NVXWUHKLSA-N 2 0 291.439 1.604 10 0 CDAERP C[C@@H]([NH2+]CCC[NH2+][C@@H](C)[C@H]1CCCO1)[C@@H]1CCCO1 ZINC000248582305 539065439 /nfs/dbraw/zinc/06/54/39/539065439.db2.gz ITRKZESBLAMDRA-PYHGIMPFSA-N 2 0 270.417 1.691 10 0 CDAERP [NH3+]CC1([C@]2(O)CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000669376999 539072044 /nfs/dbraw/zinc/07/20/44/539072044.db2.gz DDXFSKZMKFBTNF-INIZCTEOSA-N 2 0 260.381 1.752 10 0 CDAERP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)[C@H]1C ZINC000600710208 342243696 /nfs/dbraw/zinc/24/36/96/342243696.db2.gz QVXFNPNEGLAPTE-XUXIUFHCSA-N 2 0 280.412 1.838 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000594584490 342921423 /nfs/dbraw/zinc/92/14/23/342921423.db2.gz FUROMRBJPPCFTP-NDBYEHHHSA-N 2 0 254.374 1.578 10 0 CDAERP C[NH+](C)C1(CNC(=O)[C@H]2CCC[C@H]2[NH3+])CCCC1 ZINC000125648650 187194409 /nfs/dbraw/zinc/19/44/09/187194409.db2.gz RZVIURZGWIIONI-NWDGAFQWSA-N 2 0 253.390 1.104 10 0 CDAERP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1c(C(F)(F)F)cnn1C ZINC000629512968 362124122 /nfs/dbraw/zinc/12/41/22/362124122.db2.gz JTELLIOAWDITBR-HTQZYQBOSA-N 2 0 264.295 1.654 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645105264 362118637 /nfs/dbraw/zinc/11/86/37/362118637.db2.gz XSXMUQHBRMDLLE-XQQFMLRXSA-N 2 0 253.390 1.104 10 0 CDAERP C[NH2+]CCC1CC[NH+](Cc2cncc(OC)n2)CC1 ZINC000629521860 362141826 /nfs/dbraw/zinc/14/18/26/362141826.db2.gz WZOXTXCFNJTXPU-UHFFFAOYSA-N 2 0 264.373 1.307 10 0 CDAERP CCC1(CC)[C@@H]([NH2+]CC2([NH3+])CCOCC2)C[C@@H]1OC ZINC000629523812 362140047 /nfs/dbraw/zinc/14/00/47/362140047.db2.gz JNSGDRNYVPFUNI-STQMWFEESA-N 2 0 270.417 1.678 10 0 CDAERP CCC1(CC)[C@H]([NH2+]CCOCC[NH2+]C)C[C@@H]1OC ZINC000629529371 362157636 /nfs/dbraw/zinc/15/76/36/362157636.db2.gz AVHSRGODEXWFIE-OLZOCXBDSA-N 2 0 258.406 1.406 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000629530210 362158912 /nfs/dbraw/zinc/15/89/12/362158912.db2.gz ZJNIGUSSRLWBGF-WBVHZDCISA-N 2 0 292.423 1.980 10 0 CDAERP COc1cncc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)n1 ZINC000629532005 362163659 /nfs/dbraw/zinc/16/36/59/362163659.db2.gz IERSRFDZGNBGHC-CYBMUJFWSA-N 2 0 276.384 1.307 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000250479986 344041632 /nfs/dbraw/zinc/04/16/32/344041632.db2.gz BSWBAMOAYFRFTL-ZIAGYGMSSA-N 2 0 267.417 1.223 10 0 CDAERP C[N@H+](CCCC[NH+]1CCCCC1)CC1(O)CCOCC1 ZINC000640533508 362403538 /nfs/dbraw/zinc/40/35/38/362403538.db2.gz TZFOPMNLYILULY-UHFFFAOYSA-N 2 0 284.444 1.726 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000262651480 344696798 /nfs/dbraw/zinc/69/67/98/344696798.db2.gz AJQIFIWVCNDZGT-HZSPNIEDSA-N 2 0 267.417 1.208 10 0 CDAERP C[C@@H](CNC(=O)CC1([NH3+])CCCCC1)C[NH+]1CCCC1 ZINC000084186471 178820321 /nfs/dbraw/zinc/82/03/21/178820321.db2.gz PPZXDNRRAXOCLC-AWEZNQCLSA-N 2 0 281.444 1.886 10 0 CDAERP C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000404959959 345335821 /nfs/dbraw/zinc/33/58/21/345335821.db2.gz PCIBECYXAQUBFJ-XQQFMLRXSA-N 2 0 253.390 1.057 10 0 CDAERP C[C@H]1C[C@@H](C[N@@H+]2Cc3ccccc3N(C)C(=O)C2)CC[NH2+]1 ZINC000623238799 345739925 /nfs/dbraw/zinc/73/99/25/345739925.db2.gz TYBRPEAHARQCIH-KBPBESRZSA-N 2 0 287.407 1.853 10 0 CDAERP C[N@H+](CCCC[C@@](C)(O)C[NH3+])C[C@@H]1CCCOC1 ZINC000085302592 179011550 /nfs/dbraw/zinc/01/15/50/179011550.db2.gz SHCHZTQGJIIKGX-UONOGXRCSA-N 2 0 258.406 1.225 10 0 CDAERP CC(C)(C)[NH+]1CCC(NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000085366307 179037192 /nfs/dbraw/zinc/03/71/92/179037192.db2.gz BMPPNYPFOHTTPO-KGLIPLIRSA-N 2 0 281.444 1.883 10 0 CDAERP CN1C[C@@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CCC1=O ZINC000623426552 346558750 /nfs/dbraw/zinc/55/87/50/346558750.db2.gz QNEKMYGRYFIQDK-RYUDHWBXSA-N 2 0 253.390 1.070 10 0 CDAERP O=C(NCC1([NH+]2CCSCC2)CCCCC1)C1C[NH2+]C1 ZINC000263306954 362763836 /nfs/dbraw/zinc/76/38/36/362763836.db2.gz ONPYIXDQTRRJIX-UHFFFAOYSA-N 2 0 297.468 1.074 10 0 CDAERP Cc1nn(C)c(C)c1CC[NH2+]C[C@]1(C)CC[NH2+]C1 ZINC000566229411 370652684 /nfs/dbraw/zinc/65/26/84/370652684.db2.gz AZQKPBLYJAXNFG-AWEZNQCLSA-N 2 0 250.390 1.169 10 0 CDAERP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C2C[NH2+]C2)C1 ZINC000263327173 362774348 /nfs/dbraw/zinc/77/43/48/362774348.db2.gz TUQSJNLKZUZRFM-VXGBXAGGSA-N 2 0 267.417 1.079 10 0 CDAERP CCC[C@H]1CN(C[C@@H]2CC[N@@H+](C(C)C)C2)CC[NH2+]1 ZINC000086146558 179238719 /nfs/dbraw/zinc/23/87/19/179238719.db2.gz ASLUKCSQKJZIMU-GJZGRUSLSA-N 2 0 253.434 1.791 10 0 CDAERP CC[NH+]1CCC(C[N@@H+]2CCNC[C@@H]2C(C)C)CC1 ZINC000086177553 179246582 /nfs/dbraw/zinc/24/65/82/179246582.db2.gz GNOPLMXTOYVSCW-OAHLLOKOSA-N 2 0 253.434 1.648 10 0 CDAERP C[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223154 179252171 /nfs/dbraw/zinc/25/21/71/179252171.db2.gz DWTXHZJNVWTQGQ-MCIONIFRSA-N 2 0 253.434 1.647 10 0 CDAERP C[C@H]1C[NH2+]C2(CCCC2)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086223991 179253133 /nfs/dbraw/zinc/25/31/33/179253133.db2.gz HEHZHCCJQDUIDC-UONOGXRCSA-N 2 0 251.418 1.687 10 0 CDAERP Cn1ccc(CC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)n1 ZINC000623492392 347602865 /nfs/dbraw/zinc/60/28/65/347602865.db2.gz WWAPGZYDTCYCNB-ZDUSSCGKSA-N 2 0 250.390 1.425 10 0 CDAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623494986 347604078 /nfs/dbraw/zinc/60/40/78/347604078.db2.gz MAFMPAICNWZFNV-CVEARBPZSA-N 3 0 296.503 1.475 10 0 CDAERP CC(=O)N1CCC[C@@H](C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623511181 347611463 /nfs/dbraw/zinc/61/14/63/347611463.db2.gz CQPONFHGFPBMLV-LSDHHAIUSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)(C)[N@@H+]1CCCN(C(=O)NC/C=C/C[NH3+])CC1 ZINC000641865114 365950403 /nfs/dbraw/zinc/95/04/03/365950403.db2.gz PGLRMFAYIXCZCF-SNAWJCMRSA-N 2 0 268.405 1.017 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000614964155 348287726 /nfs/dbraw/zinc/28/77/26/348287726.db2.gz MMAKTYFQOLEMCR-UHFFFAOYSA-N 2 0 281.444 1.663 10 0 CDAERP C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)CCN(C)c1cc[nH+]cc1 ZINC000615306661 348433130 /nfs/dbraw/zinc/43/31/30/348433130.db2.gz AFUXJFCWNWPNQT-ZFWWWQNUSA-N 2 0 290.411 1.459 10 0 CDAERP COC1([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)CCOCC1 ZINC000414192573 362928150 /nfs/dbraw/zinc/92/81/50/362928150.db2.gz SLLNLSRPJKFZJT-CABCVRRESA-N 2 0 284.444 1.892 10 0 CDAERP [NH3+]Cc1cccc(C[NH2+]Cc2cccc(C[NH3+])c2)c1 ZINC000079196487 348740451 /nfs/dbraw/zinc/74/04/51/348740451.db2.gz SVLZZABWMUHCOP-UHFFFAOYSA-N 3 0 255.365 1.894 10 0 CDAERP CCO[C@H]1C[C@H]([NH2+]CCOCCC[NH3+])C12CCC2 ZINC000629536684 362950754 /nfs/dbraw/zinc/95/07/54/362950754.db2.gz HSODAWSCPPWIIH-STQMWFEESA-N 2 0 256.390 1.289 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CC23CC[NH2+]CC3)CC[N@@H+]1C ZINC000137259968 297257764 /nfs/dbraw/zinc/25/77/64/297257764.db2.gz BCRORACECWDRTI-RDBSUJKOSA-N 2 0 279.428 1.317 10 0 CDAERP O=C(CC[C@H]1CCC[NH2+]C1)N1CC[NH+]2CCC1CC2 ZINC000621660005 350698718 /nfs/dbraw/zinc/69/87/18/350698718.db2.gz XVINOOKFAVYLGD-CYBMUJFWSA-N 2 0 265.401 1.073 10 0 CDAERP C[NH+]1CCC2(CCCN2C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000335168332 282732923 /nfs/dbraw/zinc/73/29/23/282732923.db2.gz HNIGMUBPKDNCNP-AWEZNQCLSA-N 2 0 294.443 1.398 10 0 CDAERP C[C@@H](CCNC(=O)N[C@@H]1CCCC[NH2+]C1)[NH+]1CCCCC1 ZINC000333528546 363013259 /nfs/dbraw/zinc/01/32/59/363013259.db2.gz HPZUBWBKCYYFNJ-LSDHHAIUSA-N 2 0 296.459 1.692 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000623959498 351353397 /nfs/dbraw/zinc/35/33/97/351353397.db2.gz SJXUSBMQCYGCMI-GJZGRUSLSA-N 2 0 272.433 1.892 10 0 CDAERP O[C@H](C[NH2+][C@@H]1CCOC2(CCCC2)C1)C[NH+]1CCCC1 ZINC000629572278 363027021 /nfs/dbraw/zinc/02/70/21/363027021.db2.gz YTDIXXMLVFIQKD-HUUCEWRRSA-N 2 0 282.428 1.525 10 0 CDAERP C[N@H+](C[C@@H](O)CNC[C@@H]1CC[NH+]1C1CCCC1)C1CC1 ZINC000629601110 363156872 /nfs/dbraw/zinc/15/68/72/363156872.db2.gz GJHFPFDVKHAQMU-HOTGVXAUSA-N 2 0 281.444 1.048 10 0 CDAERP Cc1nocc1C[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001660081775 1172156194 /nfs/dbraw/zinc/15/61/94/1172156194.db2.gz YBEJVOKLKQMVGZ-AWEZNQCLSA-N 2 0 294.399 1.015 10 0 CDAERP CC[C@@H](F)C[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001660081101 1172156885 /nfs/dbraw/zinc/15/68/85/1172156885.db2.gz LCTPYJQHZFUXAG-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CCC[NH3+])C1 ZINC000423189548 291001906 /nfs/dbraw/zinc/00/19/06/291001906.db2.gz MVRCOAFIPHETLG-QWHCGFSZSA-N 2 0 256.390 1.827 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1ccc(C)c(OC)c1 ZINC000629654347 363256546 /nfs/dbraw/zinc/25/65/46/363256546.db2.gz PQFRHDXBWTUMMC-UHFFFAOYSA-N 2 0 266.385 1.671 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000232636322 140223429 /nfs/dbraw/zinc/22/34/29/140223429.db2.gz ACJLQWDHOQKHJV-MELADBBJSA-N 2 0 269.433 1.467 10 0 CDAERP C/C=C/C[C@@H]1CCC[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000629673916 363321108 /nfs/dbraw/zinc/32/11/08/363321108.db2.gz ORNOWRNCANPRNZ-VNHAASDWSA-N 2 0 293.455 1.862 10 0 CDAERP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)[C@@H]1C ZINC000644537279 366155706 /nfs/dbraw/zinc/15/57/06/366155706.db2.gz YMRKPOAHXFTXSQ-KQTLUZQSSA-N 2 0 265.445 1.789 10 0 CDAERP C[C@H](c1ccccc1)[C@@H](O)C[NH2+][C@@H]1CCCN(C)C1 ZINC000644548239 366166168 /nfs/dbraw/zinc/16/61/68/366166168.db2.gz WBQCNUPPVHQYEN-BMFZPTHFSA-N 2 0 262.397 1.835 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)NC[C@H](C)[NH+](C)C)CC1 ZINC000454669309 252361716 /nfs/dbraw/zinc/36/17/16/252361716.db2.gz YOBAXTTWYKKUJP-ZDUSSCGKSA-N 2 0 284.448 1.358 10 0 CDAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000186753729 355989000 /nfs/dbraw/zinc/98/90/00/355989000.db2.gz CSBNJAHWKGASHR-WFASDCNBSA-N 2 0 275.396 1.476 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(O)CCSC2)[C@@H]2CCC[C@H]21 ZINC000353513929 283139176 /nfs/dbraw/zinc/13/91/76/283139176.db2.gz GCACKIIVNYLBBT-IGQOVBAYSA-N 2 0 270.442 1.317 10 0 CDAERP C[C@H](CNC(=O)[C@]12CCC[C@H]1C[NH2+]C2)C[NH+]1CCCC1 ZINC000634765978 358503449 /nfs/dbraw/zinc/50/34/49/358503449.db2.gz MJKRAIWNGLPIIA-YCPHGPKFSA-N 2 0 279.428 1.224 10 0 CDAERP O=C(C[C@H]1CCC[NH2+]1)NCc1cccnc1-n1ccnc1 ZINC000164803637 363507197 /nfs/dbraw/zinc/50/71/97/363507197.db2.gz TULQCPMHXPJOND-CYBMUJFWSA-N 2 0 285.351 1.026 10 0 CDAERP CO[C@H](C[N@H+](C)CC[C@H]1CCCC[NH+]1C)[C@H]1CCOC1 ZINC000659960354 412642038 /nfs/dbraw/zinc/64/20/38/412642038.db2.gz IIMWLPDBWFQWMQ-ARFHVFGLSA-N 2 0 284.444 1.844 10 0 CDAERP C[N@H+]1CC=C(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)CC1 ZINC000371506333 356876137 /nfs/dbraw/zinc/87/61/37/356876137.db2.gz QNOCAAGIYOLOQQ-MGPQQGTHSA-N 2 0 250.386 1.651 10 0 CDAERP C[C@@H]1CCC[N@H+](CCNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000262658157 356858770 /nfs/dbraw/zinc/85/87/70/356858770.db2.gz DSMKNNZTEJSGBP-FPCVCCKLSA-N 2 0 293.455 1.755 10 0 CDAERP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CC1(O)Cc2ccccc2C1 ZINC000564825590 357280297 /nfs/dbraw/zinc/28/02/97/357280297.db2.gz VAFDXMYQVLXBIB-CVEARBPZSA-N 2 0 274.408 1.623 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)CC1CC(C)C1 ZINC001660501713 1172223106 /nfs/dbraw/zinc/22/31/06/1172223106.db2.gz FVUCAOMCMMMIOI-GPANFISMSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[NH+]1CCC([N@H+](C)C[C@H](OC)[C@@H]2CCOC2)CC1 ZINC000659983952 412661546 /nfs/dbraw/zinc/66/15/46/412661546.db2.gz YWKNZVPWSWSIAQ-ZBFHGGJFSA-N 2 0 284.444 1.844 10 0 CDAERP CC[NH+](CC)CCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000019515110 358101697 /nfs/dbraw/zinc/10/16/97/358101697.db2.gz NMNGCSVTADZCSL-RDBSUJKOSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]2COCC[C@@H]21 ZINC000659996819 482804550 /nfs/dbraw/zinc/80/45/50/482804550.db2.gz DOZUVTFRQAHHAJ-ILXRZTDVSA-N 2 0 270.417 1.188 10 0 CDAERP CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)[NH2+]C)c1ccccc1 ZINC000054071539 358699095 /nfs/dbraw/zinc/69/90/95/358699095.db2.gz POHQALDJGWHITO-HIFRSBDPSA-N 2 0 277.412 1.794 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)C[C@H]1CCC[NH2+]C1)c1cccs1 ZINC000054308714 358712260 /nfs/dbraw/zinc/71/22/60/358712260.db2.gz JQBPXFYKAFBGRM-OLZOCXBDSA-N 2 0 295.452 1.857 10 0 CDAERP [NH3+]C1CCN(Cc2cccn2-c2cc[nH+]cc2)CC1 ZINC000616575057 358725741 /nfs/dbraw/zinc/72/57/41/358725741.db2.gz DVJZBEGWHQIXNX-UHFFFAOYSA-N 2 0 256.353 1.795 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2CC[NH3+])C1 ZINC000070552579 358969720 /nfs/dbraw/zinc/96/97/20/358969720.db2.gz YFORVFPRIBQHDJ-AWEZNQCLSA-N 2 0 289.423 1.648 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)CC[NH2+]1 ZINC000262380191 359167871 /nfs/dbraw/zinc/16/78/71/359167871.db2.gz NQSWAVBJAVWVNF-XDQVBPFNSA-N 2 0 265.401 1.070 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309679751 359295425 /nfs/dbraw/zinc/29/54/25/359295425.db2.gz YYUCNPFPZVCMSS-ZBFHGGJFSA-N 2 0 289.423 1.752 10 0 CDAERP c1ccc(C[N@H+]2CCCC[C@H]2CN[C@@H]2CC[NH2+]C2)cc1 ZINC000379642796 359637840 /nfs/dbraw/zinc/63/78/40/359637840.db2.gz ZXUOSQVPUAMANT-SJORKVTESA-N 2 0 273.424 1.993 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000297040176 200068809 /nfs/dbraw/zinc/06/88/09/200068809.db2.gz CBSPRNVECUGOQR-ZDUSSCGKSA-N 2 0 258.325 1.045 10 0 CDAERP c1ccc(C[C@@H]2C[C@@H]2[NH2+][C@H](C2CC2)[C@H]2CNCCO2)cc1 ZINC000422926631 359679498 /nfs/dbraw/zinc/67/94/98/359679498.db2.gz XDLJMSJVILEIST-XMTFNYHQSA-N 2 0 286.419 1.974 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CC(C)(C)[C@@H](O)C(C)C ZINC000423002527 359709979 /nfs/dbraw/zinc/70/99/79/359709979.db2.gz JKQDGOIYQGVCFC-STQMWFEESA-N 2 0 260.422 1.373 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)[NH2+][C@H](C)CC(=O)N(C)c1ccccc1 ZINC000423446532 359793815 /nfs/dbraw/zinc/79/38/15/359793815.db2.gz OHBAUDPEGGNPQY-UPJWGTAASA-N 2 0 263.385 1.753 10 0 CDAERP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000423472987 359807280 /nfs/dbraw/zinc/80/72/80/359807280.db2.gz GIJACKPZLNMCJJ-FPMFFAJLSA-N 2 0 283.366 1.532 10 0 CDAERP CC[NH+]1CCC(NCc2ccc3c[nH+]cn3c2)CC1 ZINC000297521789 200217388 /nfs/dbraw/zinc/21/73/88/200217388.db2.gz NDROSDYZOSLJMQ-UHFFFAOYSA-N 2 0 258.369 1.908 10 0 CDAERP CC[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)[C@H]1CCOC1 ZINC000423507998 359829272 /nfs/dbraw/zinc/82/92/72/359829272.db2.gz KIQJBJGNPGYOTM-OTBWCIGPSA-N 2 0 295.471 1.608 10 0 CDAERP CC(C)[N@H+](C)CC1CCN(C(=O)NCCC[NH3+])CC1 ZINC000637377727 359829789 /nfs/dbraw/zinc/82/97/89/359829789.db2.gz BBDKFLSOLGQMPR-UHFFFAOYSA-N 2 0 270.421 1.097 10 0 CDAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC000356985008 366673907 /nfs/dbraw/zinc/67/39/07/366673907.db2.gz IPIHVDMARZZTSU-HZPDHXFCSA-N 2 0 289.423 1.370 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424461961 360062676 /nfs/dbraw/zinc/06/26/76/360062676.db2.gz LOLGAZAVNKMCJS-KBUPBQIOSA-N 2 0 296.459 1.818 10 0 CDAERP [NH3+][C@@H](CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+])c1ccccc1 ZINC000424482865 360082818 /nfs/dbraw/zinc/08/28/18/360082818.db2.gz VRHNARTZBMFLTH-HZSPNIEDSA-N 2 0 276.384 1.256 10 0 CDAERP Cn1ccnc1C[C@@H]1CCCN(C(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000335369242 360110355 /nfs/dbraw/zinc/11/03/55/360110355.db2.gz VDAXLJJREVGYEV-BBRMVZONSA-N 2 0 290.411 1.201 10 0 CDAERP C[C@H](CN1CCOCC1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000091508696 360241482 /nfs/dbraw/zinc/24/14/82/360241482.db2.gz QZYLFUJMWIELAR-MRXNPFEDSA-N 2 0 295.471 1.515 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1CC[NH+](C)CC1 ZINC000337619892 360294315 /nfs/dbraw/zinc/29/43/15/360294315.db2.gz NUZDOZRUHRJJHZ-CQSZACIVSA-N 2 0 267.417 1.319 10 0 CDAERP CC[NH+](CC)CC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000337622058 360307013 /nfs/dbraw/zinc/30/70/13/360307013.db2.gz AYCQPMARERJFRN-ZDUSSCGKSA-N 2 0 253.390 1.023 10 0 CDAERP COCCC[NH+]1CCC(N(C)C(=O)CCC[NH+](C)C)CC1 ZINC001660783872 1172277810 /nfs/dbraw/zinc/27/78/10/1172277810.db2.gz CLXJCTOFKHYIGZ-UHFFFAOYSA-N 2 0 299.459 1.288 10 0 CDAERP O=C([C@@H]1CCC[NH2+]1)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000373040657 296015822 /nfs/dbraw/zinc/01/58/22/296015822.db2.gz UNEIGSUAUVINHF-KBPBESRZSA-N 2 0 265.401 1.215 10 0 CDAERP C[NH2+][C@@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000515311639 360467873 /nfs/dbraw/zinc/46/78/73/360467873.db2.gz QMCQODWMCBCGMK-XQQFMLRXSA-N 2 0 253.390 1.068 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000516330791 360594637 /nfs/dbraw/zinc/59/46/37/360594637.db2.gz LJGWQYVCHMAVAE-OLZOCXBDSA-N 2 0 290.411 1.648 10 0 CDAERP C[NH+](C)C1CCC([NH2+][C@H]2CCCS(=O)(=O)CC2)CC1 ZINC000634984317 360607840 /nfs/dbraw/zinc/60/78/40/360607840.db2.gz OGQDXRLLLMJFSP-HSBZDZAISA-N 2 0 288.457 1.416 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000626935138 360654368 /nfs/dbraw/zinc/65/43/68/360654368.db2.gz YAKZIVRFTOOXOR-LJISPDSOSA-N 2 0 296.459 1.404 10 0 CDAERP C[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC[NH2+]1 ZINC000335652808 360670832 /nfs/dbraw/zinc/67/08/32/360670832.db2.gz BLCNSVKPZZOWIO-QWRGUYRKSA-N 2 0 259.353 1.616 10 0 CDAERP COC1(C[C@@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)CCC1 ZINC000429518330 360846161 /nfs/dbraw/zinc/84/61/61/360846161.db2.gz LTAUDUMCJJPSSO-JKSUJKDBSA-N 2 0 297.487 1.807 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNc1ncnc2[nH]ccc21 ZINC000339134286 361311348 /nfs/dbraw/zinc/31/13/48/361311348.db2.gz QDDKISFCIFDOHK-NSHDSACASA-N 2 0 259.357 1.666 10 0 CDAERP CCC[C@@H]1CN(C(=O)CC[C@H](C)[NH3+])CC[N@@H+]1CCOC ZINC000566295595 370675240 /nfs/dbraw/zinc/67/52/40/370675240.db2.gz SEFQKSJHAPGMIY-UONOGXRCSA-N 2 0 285.432 1.073 10 0 CDAERP C[NH+](C)CCNC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000133496507 361394404 /nfs/dbraw/zinc/39/44/04/361394404.db2.gz CXDHXULSAFGIKH-OAHLLOKOSA-N 2 0 292.427 1.020 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000121713063 361376145 /nfs/dbraw/zinc/37/61/45/361376145.db2.gz ALHKOMPDAYZXJZ-OLZOCXBDSA-N 2 0 255.406 1.031 10 0 CDAERP C[C@H](C[NH3+])N(C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000417941924 361432814 /nfs/dbraw/zinc/43/28/14/361432814.db2.gz NICQXVKSENVKRN-YUELXQCFSA-N 2 0 290.411 1.420 10 0 CDAERP C[C@@H]1CN(C)C[C@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000339496367 361538725 /nfs/dbraw/zinc/53/87/25/361538725.db2.gz BGBBJAXBMMALIO-HUUCEWRRSA-N 3 0 253.434 1.792 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000351488451 361709822 /nfs/dbraw/zinc/70/98/22/361709822.db2.gz VPYRMNDNAPYLTO-GJZGRUSLSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000262862426 364057477 /nfs/dbraw/zinc/05/74/77/364057477.db2.gz UGJJHFYJLJVBHX-IUODEOHRSA-N 2 0 275.396 1.476 10 0 CDAERP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000167777848 364360536 /nfs/dbraw/zinc/36/05/36/364360536.db2.gz YVHPUZDAZYVSBX-SOUVJXGZSA-N 2 0 281.444 1.837 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NCC[N@H+]1CC=CCC1 ZINC000353281006 365110841 /nfs/dbraw/zinc/11/08/41/365110841.db2.gz XKWLNUOQARGFTE-CQSZACIVSA-N 2 0 282.432 1.278 10 0 CDAERP C[C@H](CCCC[NH3+])NC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000516569208 366873319 /nfs/dbraw/zinc/87/33/19/366873319.db2.gz BIKXVATTYWDUEB-LMOYCYGVSA-N 2 0 297.443 1.153 10 0 CDAERP CCN1CC[C@H]([NH2+]Cc2c(C)nn(CC)c2C)C1 ZINC000307980243 366873331 /nfs/dbraw/zinc/87/33/31/366873331.db2.gz IYMLMYCEQXABIY-ZDUSSCGKSA-N 2 0 250.390 1.704 10 0 CDAERP COC[C@@H](C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000174253192 367056722 /nfs/dbraw/zinc/05/67/22/367056722.db2.gz IZTSZKOBCOLUHW-OAHLLOKOSA-N 2 0 283.460 1.561 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1CCCC[N@@H+]1CC ZINC000626975129 367118570 /nfs/dbraw/zinc/11/85/70/367118570.db2.gz PYNVHWMTSMYQCA-HZSPNIEDSA-N 2 0 282.432 1.301 10 0 CDAERP CCCC[C@@H](C[NH3+])NC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627079851 367377140 /nfs/dbraw/zinc/37/71/40/367377140.db2.gz KVVMALNJPCJZIY-NWDGAFQWSA-N 2 0 268.405 1.088 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000417002310 242259649 /nfs/dbraw/zinc/25/96/49/242259649.db2.gz GDGXGZOKCIKEDX-MGPQQGTHSA-N 2 0 284.448 1.628 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000417050782 242293746 /nfs/dbraw/zinc/29/37/46/242293746.db2.gz XUEYFVLUOGRGKL-MCIONIFRSA-N 2 0 284.448 1.533 10 0 CDAERP CC(C)[N@H+](C)CC1CC[NH+](C[C@H](O)CC2(O)CCC2)CC1 ZINC000528371684 367756261 /nfs/dbraw/zinc/75/62/61/367756261.db2.gz LOFVPFWAGFFFQZ-MRXNPFEDSA-N 2 0 298.471 1.705 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)C1=CC[C@@H]([NH3+])C1)c1cccs1 ZINC000638049601 367785694 /nfs/dbraw/zinc/78/56/94/367785694.db2.gz NARPSDVTDDPJDB-NEPJUHHUSA-N 2 0 279.409 1.515 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000627244905 367858334 /nfs/dbraw/zinc/85/83/34/367858334.db2.gz KJTHIAQRJFTYAI-YJNKXOJESA-N 2 0 294.443 1.301 10 0 CDAERP C[NH+](C)Cc1cccc(NC(=O)CCC2C[NH2+]C2)c1 ZINC000638067716 367963503 /nfs/dbraw/zinc/96/35/03/367963503.db2.gz UEXJPRXAQVJDKT-UHFFFAOYSA-N 2 0 261.369 1.686 10 0 CDAERP [NH3+]C1(CNC(=O)NCC[C@@H]2CC[NH2+]C2)CCCCCC1 ZINC000418288554 242899791 /nfs/dbraw/zinc/89/97/91/242899791.db2.gz WKICGSCYNUFXRU-ZDUSSCGKSA-N 2 0 282.432 1.337 10 0 CDAERP CCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001661267033 1172361174 /nfs/dbraw/zinc/36/11/74/1172361174.db2.gz IDAQPDHOEVZACU-GASCZTMLSA-N 2 0 281.444 1.804 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)C2=CC[C@H]([NH3+])C2)CC1 ZINC000638088508 368258194 /nfs/dbraw/zinc/25/81/94/368258194.db2.gz MXVFBRXHLSNARM-ZDUSSCGKSA-N 2 0 265.401 1.415 10 0 CDAERP O=C(CC1CC[NH2+]CC1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000366627091 368386166 /nfs/dbraw/zinc/38/61/66/368386166.db2.gz DDNAZIPCKMKMBZ-HUUCEWRRSA-N 2 0 279.428 1.367 10 0 CDAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000418584617 243240908 /nfs/dbraw/zinc/24/09/08/243240908.db2.gz CGUDYQBLKFJSEO-DZGCQCFKSA-N 2 0 296.459 1.535 10 0 CDAERP CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000418596294 243255917 /nfs/dbraw/zinc/25/59/17/243255917.db2.gz ORYCPNIQYQVLEB-LSDHHAIUSA-N 2 0 296.459 1.502 10 0 CDAERP C[C@@H](C[NH3+])NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418610710 243274939 /nfs/dbraw/zinc/27/49/39/243274939.db2.gz GIVKJIKWRAPWBH-DZGCQCFKSA-N 2 0 290.411 1.250 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000418684236 243336733 /nfs/dbraw/zinc/33/67/33/243336733.db2.gz XZCYMIQCOKELQF-OBJOEFQTSA-N 2 0 278.400 1.502 10 0 CDAERP C[NH+]1CCC(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)CC1 ZINC000366635866 368546617 /nfs/dbraw/zinc/54/66/17/368546617.db2.gz YFUMRHFNZBGNMJ-CABCVRRESA-N 2 0 279.428 1.319 10 0 CDAERP CCN(CCC[NH+](CC)CC)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000418712543 243365091 /nfs/dbraw/zinc/36/50/91/243365091.db2.gz XIJGPEKQSJSOPN-STQMWFEESA-N 2 0 272.437 1.486 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000418711531 243365534 /nfs/dbraw/zinc/36/55/34/243365534.db2.gz WJBJIXCXZUUOPA-IHRRRGAJSA-N 2 0 282.432 1.382 10 0 CDAERP CN(CCC(=O)NCC1=CC[N@H+](C)CC1)c1cc[nH+]cc1 ZINC000541854210 368686517 /nfs/dbraw/zinc/68/65/17/368686517.db2.gz FMSZWKJQECUSML-UHFFFAOYSA-N 2 0 288.395 1.286 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC000542786986 368821664 /nfs/dbraw/zinc/82/16/64/368821664.db2.gz SCJBSYUVDHWUDR-OAHLLOKOSA-N 2 0 290.411 1.508 10 0 CDAERP CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H]1CCOC1 ZINC000361589151 368919579 /nfs/dbraw/zinc/91/95/79/368919579.db2.gz GPPNPNMAJAXVIK-MRXNPFEDSA-N 2 0 283.460 1.513 10 0 CDAERP COC(=O)[C@H](C)[C@@H]([NH2+]CCC[NH3+])c1ccccc1 ZINC000420363603 244147171 /nfs/dbraw/zinc/14/71/71/244147171.db2.gz BPWYXWHPFKXWEY-DGCLKSJQSA-N 2 0 250.342 1.475 10 0 CDAERP C[C@@H](CC[NH+](C)C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000368260446 369414292 /nfs/dbraw/zinc/41/42/92/369414292.db2.gz QSAMDNIONMQODJ-SWLSCSKDSA-N 2 0 287.423 1.655 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1C ZINC000630795955 370017319 /nfs/dbraw/zinc/01/73/19/370017319.db2.gz JXEXZZXFVFCCFE-VHDGCEQUSA-N 2 0 279.428 1.317 10 0 CDAERP Cn1cc(C[NH2+]CCCC[NH+](C)C)c(C(F)F)n1 ZINC000291103462 370170078 /nfs/dbraw/zinc/17/00/78/370170078.db2.gz BCGUJLZKHMCKQC-UHFFFAOYSA-N 2 0 260.332 1.789 10 0 CDAERP CC[N@@H+]1CC[C@H](C[NH2+][C@H](COC)C2CCOCC2)C1 ZINC000249183562 370128248 /nfs/dbraw/zinc/12/82/48/370128248.db2.gz JKDKGGYYOQFZKK-UKRRQHHQSA-N 2 0 270.417 1.359 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)N(C)CCC[NH3+])cc1 ZINC000572543545 370221023 /nfs/dbraw/zinc/22/10/23/370221023.db2.gz NIZUHPGOQNSQGW-LLVKDONJSA-N 2 0 264.373 1.197 10 0 CDAERP C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000252437851 370205388 /nfs/dbraw/zinc/20/53/88/370205388.db2.gz YAHUWRAMVHPPHA-BNOWGMLFSA-N 2 0 265.401 1.118 10 0 CDAERP COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420375327 284210489 /nfs/dbraw/zinc/21/04/89/284210489.db2.gz PDUBINNMAOKOFE-RQJABVFESA-N 2 0 266.385 1.260 10 0 CDAERP C[NH+](C)C[C@H]1COC2(CCCC2)CN1C[C@H]1CCC[N@@H+]1C ZINC000639877458 370498040 /nfs/dbraw/zinc/49/80/40/370498040.db2.gz IYWFTCODHBKRDG-CVEARBPZSA-N 2 0 295.471 1.656 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)NC(C)(C)CC[NH3+])cc1 ZINC000422612467 245135726 /nfs/dbraw/zinc/13/57/26/245135726.db2.gz UULJRTDKNANHRU-LLVKDONJSA-N 2 0 278.400 1.633 10 0 CDAERP CSC1(C[NH2+]C[C@@H](O)COC(C)C)CC[NH+](C)CC1 ZINC000566131248 370620176 /nfs/dbraw/zinc/62/01/76/370620176.db2.gz XKHGUSLJMSEBPX-CYBMUJFWSA-N 2 0 290.473 1.189 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000422700315 245158640 /nfs/dbraw/zinc/15/86/40/245158640.db2.gz GKLXAIFVLQFFJX-ZDUSSCGKSA-N 2 0 290.411 1.839 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000422789798 245258052 /nfs/dbraw/zinc/25/80/52/245258052.db2.gz WYWFQENTXXWEMV-YNEHKIRRSA-N 2 0 265.405 1.104 10 0 CDAERP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCC[NH+](C)C ZINC000422776482 245242639 /nfs/dbraw/zinc/24/26/39/245242639.db2.gz DRYVEFSUTZMKEN-ZBFHGGJFSA-N 3 0 263.429 1.876 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCC1(C[NH3+])CC1 ZINC000652137339 412787468 /nfs/dbraw/zinc/78/74/68/412787468.db2.gz HRUAPCSMKUYFBB-KGLIPLIRSA-N 2 0 296.459 1.535 10 0 CDAERP C[NH+](C)C[C@H]1CCCCN1C(=O)COC1CCC([NH3+])CC1 ZINC000567805449 371151752 /nfs/dbraw/zinc/15/17/52/371151752.db2.gz DUVAXYCXNWQDRT-SHARSMKWSA-N 2 0 297.443 1.216 10 0 CDAERP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCc1cc(F)ccc1F ZINC000422824083 245302920 /nfs/dbraw/zinc/30/29/20/245302920.db2.gz MUGBAOWFQONXGQ-ZBINZKHDSA-N 2 0 284.350 1.849 10 0 CDAERP C[C@H](N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1c[nH+]ccc1N ZINC000422859225 245343664 /nfs/dbraw/zinc/34/36/64/245343664.db2.gz HBXMUETVKNOFNG-WOPDTQHZSA-N 2 0 260.385 1.770 10 0 CDAERP C[NH2+]C[C@H]1CCCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000567834367 371165270 /nfs/dbraw/zinc/16/52/70/371165270.db2.gz RXVPCCBSDUUJGA-HUUCEWRRSA-N 2 0 281.444 1.709 10 0 CDAERP CC[NH+]1CCC([NH2+]C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC000573437866 371540847 /nfs/dbraw/zinc/54/08/47/371540847.db2.gz OKBSPSHNLRUJIM-MRXNPFEDSA-N 2 0 280.387 1.803 10 0 CDAERP CC[NH+](CC)C[C@@H]1CC[N@H+](CCC(=O)NC(C)C)C1 ZINC000174222305 372563980 /nfs/dbraw/zinc/56/39/80/372563980.db2.gz ZEYBOTDMWKCAHW-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@@H]1CC[C@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C[C@@H]1C ZINC000580710613 372668312 /nfs/dbraw/zinc/66/83/12/372668312.db2.gz HCGYIMYMVZMBBC-UGUYLWEFSA-N 2 0 283.460 1.009 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1C[C@@H]([NH2+]CCCF)C1 ZINC001661689918 1172426703 /nfs/dbraw/zinc/42/67/03/1172426703.db2.gz DMUILJLWCZSYKC-KPWCQOOUSA-N 2 0 285.407 1.456 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+]3CCC[C@@H]3C2)C[N@@H+]1C1CC1 ZINC000175626997 372707428 /nfs/dbraw/zinc/70/74/28/372707428.db2.gz YAZBKRISBSCXCQ-UMVBOHGHSA-N 2 0 292.427 1.101 10 0 CDAERP CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000353611754 372785212 /nfs/dbraw/zinc/78/52/12/372785212.db2.gz ZXXIILGXXPLYDD-QBPKDAKJSA-N 2 0 293.455 1.707 10 0 CDAERP C[C@@H]1C[C@@H](C)N(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)C[C@H]1C[NH3+] ZINC000333295434 205192210 /nfs/dbraw/zinc/19/22/10/205192210.db2.gz PHRFEXPNFGURFF-DHGKCCLASA-N 2 0 267.417 1.206 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCN(c2ncccc2F)C1 ZINC000643461818 373116459 /nfs/dbraw/zinc/11/64/59/373116459.db2.gz HJGMAPYHONBSFX-CHWSQXEVSA-N 2 0 296.390 1.143 10 0 CDAERP CC[NH+](CC)CC(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186495612 373155625 /nfs/dbraw/zinc/15/56/25/373155625.db2.gz NVOLALRVYZPQRI-GFCCVEGCSA-N 2 0 253.390 1.071 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c(c2)CC[NH2+]CC3)C1 ZINC000645685037 373237087 /nfs/dbraw/zinc/23/70/87/373237087.db2.gz REHCCKFCBHAGFL-MRXNPFEDSA-N 2 0 287.407 1.199 10 0 CDAERP COc1ccc(CN2C[C@@H](C[NH3+])[C@H](C)C2)cc1F ZINC000631844577 373938347 /nfs/dbraw/zinc/93/83/47/373938347.db2.gz YGWYERKMISTWPR-ZYHUDNBSSA-N 2 0 252.333 1.861 10 0 CDAERP CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1cncn1C(C)C ZINC000424162221 246363504 /nfs/dbraw/zinc/36/35/04/246363504.db2.gz WQBWOANXLYUOHG-RYUDHWBXSA-N 2 0 266.389 1.857 10 0 CDAERP Cn1nc2c(c1C[NH2+]CC1CC[NH+](C)CC1)CCCC2 ZINC000631063318 374848303 /nfs/dbraw/zinc/84/83/03/374848303.db2.gz BVVIUTAFQXMNIA-UHFFFAOYSA-N 2 0 276.428 1.730 10 0 CDAERP COc1ccc(OCC[NH2+][C@H]2C[C@@H](C)N(C)C2)cc1 ZINC000095419556 374922020 /nfs/dbraw/zinc/92/20/20/374922020.db2.gz FWOOCYWZIIWIMN-OLZOCXBDSA-N 2 0 264.369 1.756 10 0 CDAERP C[NH2+]Cc1ccc(NC(=O)N2CCN(C3CC3)CC2)cc1 ZINC000415969228 375492106 /nfs/dbraw/zinc/49/21/06/375492106.db2.gz FJGZXXUSADYLGZ-UHFFFAOYSA-N 2 0 288.395 1.718 10 0 CDAERP CCC(CC)[C@@H](CNCc1nccn1C)[NH+](C)C ZINC000051921328 375588684 /nfs/dbraw/zinc/58/86/84/375588684.db2.gz YDRLLKSPLJDPNB-CYBMUJFWSA-N 2 0 252.406 1.876 10 0 CDAERP CC[C@H](C(=O)N1CCC([N@@H+]2CCCOCC2)CC1)[NH+](C)C ZINC000627740459 375606164 /nfs/dbraw/zinc/60/61/64/375606164.db2.gz QOILGWQOIGZCBO-OAHLLOKOSA-N 2 0 297.443 1.040 10 0 CDAERP O[C@@H](C[NH2+][C@@H]1CCn2ccnc2C1)CC1CCCC1 ZINC000564077122 375708016 /nfs/dbraw/zinc/70/80/16/375708016.db2.gz LNYUKGLECUIYMI-ZIAGYGMSSA-N 2 0 263.385 1.729 10 0 CDAERP C[C@H](CNC(=O)N[C@H](C)[C@@H](C)[NH3+])C[NH+]1CCCCC1 ZINC000417171056 375736567 /nfs/dbraw/zinc/73/65/67/375736567.db2.gz DFWHFFPTGNNKBA-JHJVBQTASA-N 2 0 270.421 1.143 10 0 CDAERP C[C@@H](O)CCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062034431 375870231 /nfs/dbraw/zinc/87/02/31/375870231.db2.gz XUIPKZIQXZFYAK-CQSZACIVSA-N 2 0 254.418 1.955 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CC[NH+](C)C)CC[N@@H+]1C ZINC000631286202 376066734 /nfs/dbraw/zinc/06/67/34/376066734.db2.gz WSYXLSBBKRKMSS-RWMBFGLXSA-N 2 0 255.406 1.173 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000638975791 376322144 /nfs/dbraw/zinc/32/21/44/376322144.db2.gz PYDHKFHYVAENTA-CQSZACIVSA-N 2 0 267.417 1.319 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@@H]2C[C@H](C)CC[NH2+]2)CC1 ZINC000638981320 376338837 /nfs/dbraw/zinc/33/88/37/376338837.db2.gz RBMBBTVYFHCDQK-KGLIPLIRSA-N 2 0 281.444 1.707 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N2CC[NH2+][C@@H](C)[C@H]2C)CC1 ZINC000417393091 376341523 /nfs/dbraw/zinc/34/15/23/376341523.db2.gz QBSOEIAQRPBDBQ-UONOGXRCSA-N 2 0 296.459 1.500 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000246372574 376646258 /nfs/dbraw/zinc/64/62/58/376646258.db2.gz IDIHCIQRGRBLLH-MGPQQGTHSA-N 2 0 296.459 1.641 10 0 CDAERP CC(C)[NH+]1CCN(CCCN2CCCCC[C@H]([NH3+])C2)CC1 ZINC000631834701 376678691 /nfs/dbraw/zinc/67/86/91/376678691.db2.gz DFPWFFGZKYLAQK-KRWDZBQOSA-N 2 0 296.503 1.606 10 0 CDAERP C[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@@H]1C[NH3+] ZINC000631840961 376692325 /nfs/dbraw/zinc/69/23/25/376692325.db2.gz XFGIYZWTWXSEDC-ZJUUUORDSA-N 2 0 254.296 1.482 10 0 CDAERP CCC[NH2+][C@H](C)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000634300828 379359483 /nfs/dbraw/zinc/35/94/83/379359483.db2.gz MSQYJUJTLFRLPR-CHWSQXEVSA-N 2 0 255.406 1.173 10 0 CDAERP O=C(N1CCC2(CC[NH2+]2)CC1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000334583630 379417846 /nfs/dbraw/zinc/41/78/46/379417846.db2.gz KUJXEBKVBSSLFP-GOSISDBHSA-N 2 0 299.418 1.272 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NCCC1=CC[NH2+]CC1 ZINC000417007824 284803338 /nfs/dbraw/zinc/80/33/38/284803338.db2.gz LFUSUFGOSAGCPU-CYBMUJFWSA-N 2 0 282.432 1.326 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](C)C1(CO)CC1 ZINC000657607938 412930857 /nfs/dbraw/zinc/93/08/57/412930857.db2.gz OUHLDOARXVNIHI-ZDUSSCGKSA-N 2 0 286.379 1.826 10 0 CDAERP COC[C@H](C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)OC ZINC000660116464 412932642 /nfs/dbraw/zinc/93/26/42/412932642.db2.gz ZXSVMNMRTYQTLN-VNQPRFMTSA-N 2 0 282.428 1.597 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655930452 412937597 /nfs/dbraw/zinc/93/75/97/412937597.db2.gz PPKRRYQINIRFKQ-VHSXEESVSA-N 2 0 296.337 1.050 10 0 CDAERP CC[C@@H]([NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)C(=O)NC ZINC000449779245 251017126 /nfs/dbraw/zinc/01/71/26/251017126.db2.gz SULSUPZNDXLGKI-CQSZACIVSA-N 2 0 287.367 1.190 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)CCC[NH2+]C(C)C ZINC000041680110 184550918 /nfs/dbraw/zinc/55/09/18/184550918.db2.gz IKXMIVGVAJJHLD-ZDUSSCGKSA-N 2 0 257.422 1.611 10 0 CDAERP C[C@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC1CC1 ZINC001662974363 1172622381 /nfs/dbraw/zinc/62/23/81/1172622381.db2.gz GBDBBDXNIZWWGW-QWHCGFSZSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](O)C23CCC3)CN1C1CC1 ZINC000657703897 412990272 /nfs/dbraw/zinc/99/02/72/412990272.db2.gz CSGBQRAMACKTSV-WVWOOGAGSA-N 2 0 250.386 1.505 10 0 CDAERP C[C@@H](C[NH+](C)C)NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000512408694 254111107 /nfs/dbraw/zinc/11/11/07/254111107.db2.gz AHWNHJKZUYWRBH-RWMBFGLXSA-N 2 0 270.421 1.061 10 0 CDAERP C[N@H+](CCNC(=O)C1CC[NH+](C)CC1)CC1=CCCCC1 ZINC001663267365 1172663524 /nfs/dbraw/zinc/66/35/24/1172663524.db2.gz YXFWCFRHCWFUHJ-UHFFFAOYSA-N 2 0 293.455 1.877 10 0 CDAERP CCC(CC)[C@@H](CNC(=O)CC1C[NH2+]C1)[NH+](C)C ZINC000081765704 177854970 /nfs/dbraw/zinc/85/49/70/177854970.db2.gz LMXGTCITHGVTJW-CYBMUJFWSA-N 2 0 255.406 1.079 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)CCC2CC[NH2+]CC2)[C@@H](C)C1 ZINC000236902748 285365836 /nfs/dbraw/zinc/36/58/36/285365836.db2.gz ORPMDLQGPOTXDM-GOEBONIOSA-N 2 0 295.471 1.955 10 0 CDAERP [NH3+]C[C@H](C(=O)N[C@@H]1CCC[NH2+]CC1)c1ccc(F)cc1 ZINC000646988297 390338944 /nfs/dbraw/zinc/33/89/44/390338944.db2.gz LVXHDSWBPNJRIP-KGLIPLIRSA-N 2 0 279.359 1.126 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)CC[NH+](C)C)[C@H](C)C1 ZINC000448468429 285388787 /nfs/dbraw/zinc/38/87/87/285388787.db2.gz UYBFRJKRSVJWCS-ILXRZTDVSA-N 2 0 298.475 1.698 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@H](C)[NH3+])C[C@@H]1C ZINC000418700243 285390036 /nfs/dbraw/zinc/39/00/36/285390036.db2.gz FKWJWASRTBUQMY-RVMXOQNASA-N 2 0 270.421 1.236 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000261573928 390914845 /nfs/dbraw/zinc/91/48/45/390914845.db2.gz WHPPIMACBGKVDE-QWHCGFSZSA-N 2 0 265.401 1.071 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000357980846 390927407 /nfs/dbraw/zinc/92/74/07/390927407.db2.gz VYPVTZJRCXZGHE-RYUDHWBXSA-N 2 0 293.415 1.297 10 0 CDAERP C[NH+](C)CC1CC[NH+](C[C@H](O)CC(F)(F)F)CC1 ZINC000307931356 391022043 /nfs/dbraw/zinc/02/20/43/391022043.db2.gz BVWLBPPZYTUXAK-LLVKDONJSA-N 2 0 268.323 1.573 10 0 CDAERP Cc1cc(NC(=O)N[C@H]2CC[NH2+]C23CCCC3)c(C)cn1 ZINC000647474900 390965561 /nfs/dbraw/zinc/96/55/61/390965561.db2.gz QQQIGRPHGLACGY-AWEZNQCLSA-N 2 0 288.395 1.917 10 0 CDAERP Cn1nnc2cc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)ccc21 ZINC000647480245 390966891 /nfs/dbraw/zinc/96/68/91/390966891.db2.gz HQKQHRNTHCRUKV-HUUCEWRRSA-N 2 0 299.422 1.932 10 0 CDAERP Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647549458 390992496 /nfs/dbraw/zinc/99/24/96/390992496.db2.gz ANXKSTZKWOYHBR-SOUVJXGZSA-N 2 0 276.428 1.557 10 0 CDAERP CC(C)Cn1ccnc1CN[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000647551484 390996337 /nfs/dbraw/zinc/99/63/37/390996337.db2.gz PRXHMUVCTYCFTD-STQMWFEESA-N 2 0 250.390 1.627 10 0 CDAERP CC1CC[NH+](CCCC[NH2+]C2CCN(C(N)=O)CC2)CC1 ZINC000343572082 391076522 /nfs/dbraw/zinc/07/65/22/391076522.db2.gz OLBCCXZIKVKSEW-UHFFFAOYSA-N 2 0 296.459 1.631 10 0 CDAERP COc1cc2c(cc1OC)CC[NH+](C[C@@H]1CC[NH2+]C1)CC2 ZINC000647882159 391135014 /nfs/dbraw/zinc/13/50/14/391135014.db2.gz QOKUZASFLYNFBR-CYBMUJFWSA-N 2 0 290.407 1.714 10 0 CDAERP CC(C)[NH+]1CCN(CCC[NH2+][C@@H]2CCOC[C@@H]2C)CC1 ZINC000337483764 391154750 /nfs/dbraw/zinc/15/47/50/391154750.db2.gz XKJJVBOLMYTYNN-JKSUJKDBSA-N 2 0 283.460 1.417 10 0 CDAERP C(C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)OC[C@@H]1CCCO1 ZINC000647903587 391201725 /nfs/dbraw/zinc/20/17/25/391201725.db2.gz MNMNCWKDWMEABD-PMPSAXMXSA-N 2 0 282.428 1.646 10 0 CDAERP C[N@@H+]1CCC[C@H](CCNC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)C1 ZINC000418295892 391284379 /nfs/dbraw/zinc/28/43/79/391284379.db2.gz RXBVOQHYCFSUGU-ILXRZTDVSA-N 2 0 294.443 1.112 10 0 CDAERP CCCC[C@@H](C[NH3+])NC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000418021000 391330192 /nfs/dbraw/zinc/33/01/92/391330192.db2.gz HUFRGRAQRDXBDX-AWEZNQCLSA-N 2 0 282.432 1.455 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000417240901 391346919 /nfs/dbraw/zinc/34/69/19/391346919.db2.gz QLFRVIROSCFXSJ-AGIUHOORSA-N 2 0 284.448 1.532 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000417328101 391351898 /nfs/dbraw/zinc/35/18/98/391351898.db2.gz LPHJWQQXXJMETN-RFGFWPKPSA-N 2 0 282.432 1.238 10 0 CDAERP COCCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H]2SC)CC1 ZINC000425359579 391487537 /nfs/dbraw/zinc/48/75/37/391487537.db2.gz RXSCFPFEBQSSCW-KGLIPLIRSA-N 2 0 272.458 1.971 10 0 CDAERP C[C@@H]1CCCCN1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647788136 391469145 /nfs/dbraw/zinc/46/91/45/391469145.db2.gz CTDPIPDQMJOHSY-LVQVYYBASA-N 3 0 265.445 1.839 10 0 CDAERP CN(C(=O)N[C@@H]1CCCC[C@H]1C[NH3+])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000418412256 391509869 /nfs/dbraw/zinc/50/98/69/391509869.db2.gz PWZMYCRWWVQBAR-NWANDNLSSA-N 2 0 294.443 1.382 10 0 CDAERP c1ccc(CCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)nc1 ZINC000647793145 391630646 /nfs/dbraw/zinc/63/06/46/391630646.db2.gz MFYRYIVZRRYMOR-IJEWVQPXSA-N 2 0 259.397 1.992 10 0 CDAERP COC(=O)[C@H]1CSCC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000412062788 391595155 /nfs/dbraw/zinc/59/51/55/391595155.db2.gz BQIJXQRIFFDZCZ-CHWSQXEVSA-N 2 0 286.441 1.309 10 0 CDAERP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000263255281 391614677 /nfs/dbraw/zinc/61/46/77/391614677.db2.gz QKBZZRCIISJSKU-NVXWUHKLSA-N 2 0 293.455 1.981 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000417538976 391646577 /nfs/dbraw/zinc/64/65/77/391646577.db2.gz VBNPDKCNHWPNKY-RNJOBUHISA-N 2 0 270.421 1.284 10 0 CDAERP C1C([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1[NH+]1CCCCC1 ZINC000647796820 391648410 /nfs/dbraw/zinc/64/84/10/391648410.db2.gz OGUNJNPUUFEZIW-ZXDRNQKISA-N 3 0 277.456 1.981 10 0 CDAERP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCN(C)C(=O)C1 ZINC000424326073 391672845 /nfs/dbraw/zinc/67/28/45/391672845.db2.gz NECLUYNBPZQORC-MQYQWHSLSA-N 2 0 267.417 1.173 10 0 CDAERP C[C@@H]1C[N@@H+]([C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C[C@@]1(C)C[NH3+] ZINC000415062273 391739953 /nfs/dbraw/zinc/73/99/53/391739953.db2.gz XVZGKESYCYHIBM-OXGONZEZSA-N 3 0 265.445 1.824 10 0 CDAERP CCC1(C)CC[NH+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC1 ZINC000520736990 391769417 /nfs/dbraw/zinc/76/94/17/391769417.db2.gz OUCJWTKAPIMQDJ-CYBMUJFWSA-N 2 0 295.427 1.188 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000418202846 391804684 /nfs/dbraw/zinc/80/46/84/391804684.db2.gz NVKKXCOHZOZGKX-ZNMIVQPWSA-N 2 0 296.459 1.500 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)N(C)C)[C@H](C)C1 ZINC000429803680 391884026 /nfs/dbraw/zinc/88/40/26/391884026.db2.gz DCUCPJNPEUPSSM-CHWSQXEVSA-N 2 0 255.406 1.127 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000335030687 392000247 /nfs/dbraw/zinc/00/02/47/392000247.db2.gz ODNQXBNQFRFOIW-NRXISQOPSA-N 2 0 293.455 1.898 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000257696610 392008393 /nfs/dbraw/zinc/00/83/93/392008393.db2.gz NBXNRFUBUGDUAN-OLZOCXBDSA-N 2 0 253.390 1.201 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)CCC(C)(C)[NH3+])CC1 ZINC000649305470 391957530 /nfs/dbraw/zinc/95/75/30/391957530.db2.gz QHTZOIGPYKOHQC-UHFFFAOYSA-N 2 0 269.433 1.742 10 0 CDAERP C[NH+](C)C[C@@H]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000365593270 391961809 /nfs/dbraw/zinc/96/18/09/391961809.db2.gz CMKQSFXADXRZMO-XJKSGUPXSA-N 2 0 299.434 1.609 10 0 CDAERP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc2c(c1)sc(=O)n2C ZINC000261785885 392021747 /nfs/dbraw/zinc/02/17/47/392021747.db2.gz FTZPVYHZQAYWEN-JQWIXIFHSA-N 2 0 291.420 1.769 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000649354215 392090783 /nfs/dbraw/zinc/09/07/83/392090783.db2.gz QEZATFRWUOKSEE-XUWVNRHRSA-N 2 0 293.455 1.850 10 0 CDAERP C[N@H+](C[C@]1(C)CC[NH2+]C1)[C@H]1CCCN(c2cccnn2)C1 ZINC000262013574 392029933 /nfs/dbraw/zinc/02/99/33/392029933.db2.gz MMMNQQGOZMUHGS-GOEBONIOSA-N 2 0 289.427 1.377 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CN1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000262103557 392034170 /nfs/dbraw/zinc/03/41/70/392034170.db2.gz VUIPWVGJWKPSND-IAGOWNOFSA-N 3 0 294.487 1.088 10 0 CDAERP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262346940 392040208 /nfs/dbraw/zinc/04/02/08/392040208.db2.gz GWHPHHJESWXUTH-QRJUGERDSA-N 2 0 295.471 1.857 10 0 CDAERP CCCCOC[C@H](O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000195176908 392053294 /nfs/dbraw/zinc/05/32/94/392053294.db2.gz PWCIUABMDBCJTK-ZIAGYGMSSA-N 2 0 258.406 1.048 10 0 CDAERP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCC[C@@H]3CCOC3)CC2)C1 ZINC000645828415 392180932 /nfs/dbraw/zinc/18/09/32/392180932.db2.gz QDCOTVGKPCOCJP-IAGOWNOFSA-N 2 0 295.471 1.515 10 0 CDAERP COCCN1CCC[C@H]1C[NH2+][C@H](C)c1cnccc1N ZINC000422712631 392252263 /nfs/dbraw/zinc/25/22/63/392252263.db2.gz OKFXWVWLURMQEF-OLZOCXBDSA-N 2 0 278.400 1.256 10 0 CDAERP Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)CCCC[NH3+])C2)n(C)n1 ZINC000423075627 392320203 /nfs/dbraw/zinc/32/02/03/392320203.db2.gz OZNZSWKPXQRZQH-ZFWWWQNUSA-N 2 0 293.459 1.804 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H](CO)Cc1ccc(F)cc1 ZINC000423081959 392326646 /nfs/dbraw/zinc/32/66/46/392326646.db2.gz WAEVDNDDZPHBRB-GJZGRUSLSA-N 2 0 284.375 1.073 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000423103548 392347161 /nfs/dbraw/zinc/34/71/61/392347161.db2.gz LCQAGCPOTCNCNN-DTWKUNHWSA-N 2 0 259.300 1.898 10 0 CDAERP c1nnc([C@@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)n1C1CC1 ZINC000573921219 392465559 /nfs/dbraw/zinc/46/55/59/392465559.db2.gz MYFTYBZVKNHPMF-CQSZACIVSA-N 2 0 289.427 1.792 10 0 CDAERP COc1ccc(C[C@@H](C)[NH2+]CCC[NH3+])c(C)c1OC ZINC000423179384 392418834 /nfs/dbraw/zinc/41/88/34/392418834.db2.gz CYOJJSCHJVQHJY-LLVKDONJSA-N 2 0 266.385 1.882 10 0 CDAERP CC[C@H]([NH2+]CCN1CC[NH2+]CC1)c1cccc(OC)c1 ZINC000423202455 392439725 /nfs/dbraw/zinc/43/97/25/392439725.db2.gz KTSMGADMDUWFOR-INIZCTEOSA-N 2 0 277.412 1.641 10 0 CDAERP C[C@H](C[C@@H]1COCC[NH2+]1)NC[C@@H]([NH3+])c1ccccc1 ZINC000423247918 392469120 /nfs/dbraw/zinc/46/91/20/392469120.db2.gz MELUALVMGBGBKN-BPLDGKMQSA-N 2 0 263.385 1.043 10 0 CDAERP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCC[NH3+])c(C)c1 ZINC000437758564 392487282 /nfs/dbraw/zinc/48/72/82/392487282.db2.gz BSAKPKBJPCEUTN-ZDUSSCGKSA-N 2 0 263.385 1.959 10 0 CDAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC[NH+]1CCCCC1 ZINC000132357120 393214360 /nfs/dbraw/zinc/21/43/60/393214360.db2.gz WZFQRBQVCDHAFI-LSDHHAIUSA-N 2 0 251.418 1.641 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@H](O)COc2ccccc2)C1 ZINC000656153325 413059984 /nfs/dbraw/zinc/05/99/84/413059984.db2.gz OVZTZEAPNXNJBC-ZNMIVQPWSA-N 2 0 278.396 1.356 10 0 CDAERP COC[C@H](CC1CCOCC1)[NH2+][C@@H](C)CC[NH+](C)C ZINC000657859194 413062525 /nfs/dbraw/zinc/06/25/25/413062525.db2.gz QPJLJUBJOIBVSS-ZFWWWQNUSA-N 2 0 272.433 1.748 10 0 CDAERP C([C@@H]1CCOC1)[NH+]1CCC([NH2+][C@@H]2COC3(CCC3)C2)CC1 ZINC000657892911 413073773 /nfs/dbraw/zinc/07/37/73/413073773.db2.gz UWAIGTPFCQXOMK-HOCLYGCPSA-N 2 0 294.439 1.789 10 0 CDAERP O=C([C@@H]1CC12CC[NH2+]CC2)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000371250497 304301755 /nfs/dbraw/zinc/30/17/55/304301755.db2.gz YDWZQPHLXNOXIJ-QLFBSQMISA-N 2 0 291.439 1.367 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C(=O)NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000188705768 140100393 /nfs/dbraw/zinc/10/03/93/140100393.db2.gz WQPGOADLSLYVAC-SMDDNHRTSA-N 2 0 259.353 1.033 10 0 CDAERP O=C(c1ccc(-n2ccnc2)cc1)N1CC[NH+]2CCC1CC2 ZINC000188854085 140103075 /nfs/dbraw/zinc/10/30/75/140103075.db2.gz WPSQCEGSWYFABT-UHFFFAOYSA-N 2 0 296.374 1.793 10 0 CDAERP COc1cc(C)nc(C[NH2+]CC2CC[NH+](C)CC2)c1 ZINC000214070407 140160814 /nfs/dbraw/zinc/16/08/14/140160814.db2.gz QEBSXCALRAAZKO-UHFFFAOYSA-N 2 0 263.385 1.830 10 0 CDAERP Cc1cc([C@H]2CCC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)[nH]n1 ZINC000261642666 140367924 /nfs/dbraw/zinc/36/79/24/140367924.db2.gz DKXPCFXLZSJNBW-KGLIPLIRSA-N 2 0 262.401 1.897 10 0 CDAERP [NH3+][C@H](C(=O)NC1[C@@H]2CCC[C@H]1CC([NH3+])C2)c1ccccc1 ZINC000261678635 140373807 /nfs/dbraw/zinc/37/38/07/140373807.db2.gz QEJZOFRWAAXZDA-LXINESAQSA-N 2 0 287.407 1.709 10 0 CDAERP C[C@@]1(CN2CCOC[C@@H]2Cc2ccccc2)CC[NH2+]C1 ZINC000261687637 140375152 /nfs/dbraw/zinc/37/51/52/140375152.db2.gz ARVNWLXLZNNZGY-DLBZAZTESA-N 2 0 274.408 1.930 10 0 CDAERP Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2C[C@]2(C)CC[NH2+]C2)cn1 ZINC000261761748 140385274 /nfs/dbraw/zinc/38/52/74/140385274.db2.gz LMMVUVPYGWGPSQ-BZUAXINKSA-N 2 0 292.427 1.308 10 0 CDAERP [NH3+]CCN(CCc1ccccc1)C(=O)CC[C@H]1CC[NH2+]C1 ZINC000261839646 140396730 /nfs/dbraw/zinc/39/67/30/140396730.db2.gz ZWVZSRJUWHWOKK-INIZCTEOSA-N 2 0 289.423 1.406 10 0 CDAERP C[C@H](CNC(=O)[C@@H]([NH3+])C1CCOCC1)[N@@H+]1CCCC[C@H]1C ZINC000261854996 140398958 /nfs/dbraw/zinc/39/89/58/140398958.db2.gz RVKDSRUVDXDNDM-NFAWXSAZSA-N 2 0 297.443 1.119 10 0 CDAERP CCN(C(=O)N[C@@H]1CC[NH+](C2CC2)C1)[C@@H]1CC[N@H+](CC)C1 ZINC000664130702 413095389 /nfs/dbraw/zinc/09/53/89/413095389.db2.gz VIUDITPWRZFTNW-UKRRQHHQSA-N 2 0 294.443 1.349 10 0 CDAERP C[C@H](C[NH2+][C@H]1CCCCC[C@H]1[NH3+])N1C[C@@H](C)O[C@@H](C)C1 ZINC000656200219 413098332 /nfs/dbraw/zinc/09/83/32/413098332.db2.gz IHRQOCHDBXJPFB-LJIZCISZSA-N 2 0 283.460 1.734 10 0 CDAERP CC[C@H]([NH2+]C)C(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000662530463 413100608 /nfs/dbraw/zinc/10/06/08/413100608.db2.gz ATDWWZJFSZAJNE-UPJWGTAASA-N 2 0 253.390 1.070 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000390789464 397981440 /nfs/dbraw/zinc/98/14/40/397981440.db2.gz VKQPHXKUYPHMND-ZBFHGGJFSA-N 2 0 291.439 1.997 10 0 CDAERP CC(C)[NH+]1CCC(N(C)C(=O)C2CCC([NH3+])CC2)CC1 ZINC000037804648 398110342 /nfs/dbraw/zinc/11/03/42/398110342.db2.gz YYYHIGACBKTURO-UHFFFAOYSA-N 2 0 281.444 1.835 10 0 CDAERP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1ccnn1C ZINC000658108268 413207001 /nfs/dbraw/zinc/20/70/01/413207001.db2.gz QHRFAXMWEOOEAS-UONOGXRCSA-N 2 0 281.448 1.343 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000658110048 413209293 /nfs/dbraw/zinc/20/92/93/413209293.db2.gz ZOHSRCHEFZCGGM-RRFJBIMHSA-N 2 0 293.459 1.751 10 0 CDAERP CC[NH2+]CCN(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001664093758 1172809953 /nfs/dbraw/zinc/80/99/53/1172809953.db2.gz ZTWOIYQQQPZOME-UHFFFAOYSA-N 2 0 269.433 1.709 10 0 CDAERP C[C@H](CC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)C1CC[NH2+]CC1 ZINC000178815888 148090710 /nfs/dbraw/zinc/09/07/10/148090710.db2.gz RJUURVVPYHKLGT-FMKPAKJESA-N 2 0 295.471 1.953 10 0 CDAERP C[C@@]1(C(=O)N2CCC[N@@H+](C3CC3)CC2)CCCC[NH2+]1 ZINC000180997464 148172418 /nfs/dbraw/zinc/17/24/18/148172418.db2.gz MMDWDFWIHBEWRL-HNNXBMFYSA-N 2 0 265.401 1.215 10 0 CDAERP CN(C)c1cc[nH+]cc1C(=O)NCC1CC[NH+](C)CC1 ZINC000183492064 148305016 /nfs/dbraw/zinc/30/50/16/148305016.db2.gz KMCXQJQKUHRZER-UHFFFAOYSA-N 2 0 276.384 1.219 10 0 CDAERP [NH3+]CCCCCCC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000185204647 148393942 /nfs/dbraw/zinc/39/39/42/148393942.db2.gz SKRQQSNMWGLYTL-RWMBFGLXSA-N 2 0 253.390 1.091 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000193318743 148621043 /nfs/dbraw/zinc/62/10/43/148621043.db2.gz CDAAYFVDFKPEQC-STQMWFEESA-N 2 0 253.390 1.058 10 0 CDAERP C[C@]1(C[NH3+])CCN(C(=O)[C@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000262059706 149006247 /nfs/dbraw/zinc/00/62/47/149006247.db2.gz RPFLVTCJEGCDFT-KCQAQPDRSA-N 2 0 267.417 1.481 10 0 CDAERP CCOCCO[C@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261719983 286115497 /nfs/dbraw/zinc/11/54/97/286115497.db2.gz FSWIUXWIIGVFMM-KBPBESRZSA-N 2 0 256.390 1.113 10 0 CDAERP [NH3+][C@H](CC1CCCCC1)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000335044187 150221379 /nfs/dbraw/zinc/22/13/79/150221379.db2.gz UJEVQZLRAHIKTR-OAHLLOKOSA-N 2 0 293.455 1.886 10 0 CDAERP C[NH+](C)[C@H]1CCCN(C(=O)[C@](C)([NH3+])c2ccccc2)CC1 ZINC000335052273 150232073 /nfs/dbraw/zinc/23/20/73/150232073.db2.gz MXOVXYQSLUITOG-DOTOQJQBSA-N 2 0 289.423 1.803 10 0 CDAERP O=C([C@@H]1C[NH2+]Cc2ccccc21)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000335464798 304369976 /nfs/dbraw/zinc/36/99/76/304369976.db2.gz MRSPGJLIVIPYJZ-GDBMZVCRSA-N 2 0 285.391 1.226 10 0 CDAERP C[C@@H](CCC(F)(F)F)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000346449667 153192615 /nfs/dbraw/zinc/19/26/15/153192615.db2.gz OOOKVAOCDLVODJ-JTQLQIEISA-N 2 0 268.323 1.764 10 0 CDAERP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(C(=O)OC)n(C)c2)C1 ZINC000346636340 153251609 /nfs/dbraw/zinc/25/16/09/153251609.db2.gz ALRIKHARPBAKHT-GFCCVEGCSA-N 2 0 279.384 1.243 10 0 CDAERP CCc1cccc(F)c1C[NH2+]C[C@H]1CN(C)CCN1C ZINC000354330444 156391493 /nfs/dbraw/zinc/39/14/93/156391493.db2.gz OKUCDJWYHMPBMQ-AWEZNQCLSA-N 2 0 279.403 1.724 10 0 CDAERP C[C@@H]1C[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@H]1C ZINC000362430709 159146648 /nfs/dbraw/zinc/14/66/48/159146648.db2.gz OYDFCZOOPPQOAY-CHWSQXEVSA-N 2 0 279.428 1.317 10 0 CDAERP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC23CCC3)CC1 ZINC000362481883 159159094 /nfs/dbraw/zinc/15/90/94/159159094.db2.gz ZBYDHEZIAKFZBP-UHFFFAOYSA-N 2 0 265.401 1.215 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC000362844127 159251101 /nfs/dbraw/zinc/25/11/01/159251101.db2.gz SIZRKIXVWWBHQE-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP O=C([C@H]1CC[NH2+]C1)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000373041325 160167685 /nfs/dbraw/zinc/16/76/85/160167685.db2.gz ZZWHARZTWQSRKS-UONOGXRCSA-N 2 0 265.401 1.073 10 0 CDAERP C[C@H]1C[C@@H](NC(=O)C2([NH2+]C3CC3)CCC2)C[N@@H+]1C1CC1 ZINC000662754062 413431799 /nfs/dbraw/zinc/43/17/99/413431799.db2.gz CGTMPSWAYDZRME-WCQYABFASA-N 2 0 277.412 1.403 10 0 CDAERP CC[NH+]1CCN([C@@H](C[NH3+])c2ccc(C)cc2C)CC1 ZINC000022217832 171376239 /nfs/dbraw/zinc/37/62/39/171376239.db2.gz JDKPLYMMPXKOGB-INIZCTEOSA-N 2 0 261.413 1.941 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000653215218 412142999 /nfs/dbraw/zinc/14/29/99/412142999.db2.gz PBNAJMKLQXKMGN-IUODEOHRSA-N 2 0 275.396 1.362 10 0 CDAERP C[NH+](C)CC1CCN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000654657928 413549267 /nfs/dbraw/zinc/54/92/67/413549267.db2.gz WFMZJZMMWJUESA-GASCZTMLSA-N 2 0 296.459 1.310 10 0 CDAERP COC(=O)[C@H](C)C[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000035757866 172397957 /nfs/dbraw/zinc/39/79/57/172397957.db2.gz QSLZWPQVBFXKIR-CHWSQXEVSA-N 2 0 256.390 1.650 10 0 CDAERP COC[C@@H](C)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656783609 413651911 /nfs/dbraw/zinc/65/19/11/413651911.db2.gz RFYLKHOPQWFNIF-DZGCQCFKSA-N 2 0 254.418 1.981 10 0 CDAERP C[NH+](C)C1CCN([C@H](C[NH3+])c2cccc(F)c2)CC1 ZINC000036191378 172503170 /nfs/dbraw/zinc/50/31/70/172503170.db2.gz QICVHKVUZOWBBA-OAHLLOKOSA-N 2 0 265.376 1.852 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000659291633 413683555 /nfs/dbraw/zinc/68/35/55/413683555.db2.gz IOUQBCJNFDVRIM-QWHCGFSZSA-N 2 0 287.448 1.221 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000659487257 413879071 /nfs/dbraw/zinc/87/90/71/413879071.db2.gz VAPAHGGXEYDAIW-HUUCEWRRSA-N 2 0 296.459 1.676 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000659450911 413837364 /nfs/dbraw/zinc/83/73/64/413837364.db2.gz HVHAKNOABBGFOP-DGCLKSJQSA-N 2 0 270.421 1.142 10 0 CDAERP C[C@@H](NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)C(C)(C)C[NH+](C)C ZINC000659467904 413855808 /nfs/dbraw/zinc/85/58/08/413855808.db2.gz ROTIERDXPBIQBW-IJLUTSLNSA-N 2 0 288.411 1.043 10 0 CDAERP COC1CC(CC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000665230199 413953002 /nfs/dbraw/zinc/95/30/02/413953002.db2.gz LCEYHAFAUZVQLS-SVXVCFNTSA-N 2 0 282.428 1.548 10 0 CDAERP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC000665235123 413964306 /nfs/dbraw/zinc/96/43/06/413964306.db2.gz QCERTXGQYUUOEQ-STQMWFEESA-N 2 0 288.457 1.179 10 0 CDAERP Cc1ccncc1CC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000665239795 413967618 /nfs/dbraw/zinc/96/76/18/413967618.db2.gz ZGFWXWBOPDVHKG-IXDOHACOSA-N 2 0 289.423 1.679 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NCCC2(C[NH3+])CC2)C1 ZINC000659560229 413971936 /nfs/dbraw/zinc/97/19/36/413971936.db2.gz WKTPRBLGGUXCIT-GFCCVEGCSA-N 2 0 282.432 1.287 10 0 CDAERP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000665281621 414020808 /nfs/dbraw/zinc/02/08/08/414020808.db2.gz IACYIUULEGELMG-OLZOCXBDSA-N 2 0 250.390 1.761 10 0 CDAERP CC(C)[C@H]([NH3+])CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000665282470 414021314 /nfs/dbraw/zinc/02/13/14/414021314.db2.gz YZYMBFOLNBRGAH-TUVASFSCSA-N 2 0 253.434 1.822 10 0 CDAERP CCN(CC)C(=O)C[C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000665279777 414021388 /nfs/dbraw/zinc/02/13/88/414021388.db2.gz LWMDCBURWLSFGM-QWHCGFSZSA-N 2 0 257.422 1.596 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000659621981 414033321 /nfs/dbraw/zinc/03/33/21/414033321.db2.gz MBEXHVSGIGEKPG-ZNMIVQPWSA-N 2 0 296.459 1.486 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000659623323 414035490 /nfs/dbraw/zinc/03/54/90/414035490.db2.gz DIRCBOHGXZNVBB-CQSZACIVSA-N 2 0 284.448 1.486 10 0 CDAERP C[NH+]1CCN(CC[NH2+]CCCc2ccccc2)CC1 ZINC000037496813 173236162 /nfs/dbraw/zinc/23/61/62/173236162.db2.gz QXEFSCQJTUDUPD-UHFFFAOYSA-N 2 0 261.413 1.456 10 0 CDAERP CC[N@H+](C[C@H]1COC2(CCCC2)O1)C1CC[NH2+]CC1 ZINC000037538047 173257983 /nfs/dbraw/zinc/25/79/83/173257983.db2.gz LQMSCBFUFHSNQP-AWEZNQCLSA-N 2 0 268.401 1.746 10 0 CDAERP COc1cc2[nH+]ccc(N[C@@H](C)[C@H](C)[NH3+])c2cc1OC ZINC000663242831 414081951 /nfs/dbraw/zinc/08/19/51/414081951.db2.gz VAIJNSAHWZTAGL-UWVGGRQHSA-N 2 0 275.352 1.822 10 0 CDAERP Cc1c[nH]c(C[NH2+]C2CCN(c3ccccn3)CC2)n1 ZINC000657310450 414154981 /nfs/dbraw/zinc/15/49/81/414154981.db2.gz OMLTUNRIEJUGNE-UHFFFAOYSA-N 2 0 271.368 1.872 10 0 CDAERP CCC[C@H](C)NC(=O)NCCN(C)CCC[NH+](C)C ZINC000663413987 414236391 /nfs/dbraw/zinc/23/63/91/414236391.db2.gz WHKCLMLOGHUCBU-ZDUSSCGKSA-N 2 0 272.437 1.358 10 0 CDAERP C[NH+](C)CCC1CC[NH+](CC2(O)CCSCC2)CC1 ZINC000659854106 414185322 /nfs/dbraw/zinc/18/53/22/414185322.db2.gz WWGUVKILMKTBMU-UHFFFAOYSA-N 2 0 286.485 1.908 10 0 CDAERP CC[C@@H]1CN(Cc2nc3c(s2)C[NH2+]CC3)CC[C@H]1[NH3+] ZINC000663496566 414294289 /nfs/dbraw/zinc/29/42/89/414294289.db2.gz WFODEBBTBIQBOW-GHMZBOCLSA-N 2 0 280.441 1.348 10 0 CDAERP [NH3+]CC[C@@H]1CCC[N@H+](Cc2nc3c(s2)C[NH2+]CC3)C1 ZINC000663494743 414294680 /nfs/dbraw/zinc/29/46/80/414294680.db2.gz RBALQMZLMTYMMG-NSHDSACASA-N 3 0 280.441 1.350 10 0 CDAERP C[C@@H]1C[C@H](NCc2nc3c(s2)C[NH2+]CC3)CC[NH2+]1 ZINC000663497417 414297722 /nfs/dbraw/zinc/29/77/22/414297722.db2.gz NYTGRQLDFZENII-NXEZZACHSA-N 2 0 266.414 1.019 10 0 CDAERP COC[C@@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)OC ZINC000657430277 414325552 /nfs/dbraw/zinc/32/55/52/414325552.db2.gz PQAGKZHBIMPBDD-CQSZACIVSA-N 2 0 276.340 1.018 10 0 CDAERP C[N@@H+](Cc1ccc(F)c(F)c1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662250871 414584855 /nfs/dbraw/zinc/58/48/55/414584855.db2.gz QICUXZJXMRWYKJ-LBPRGKRZSA-N 2 0 282.334 1.918 10 0 CDAERP CCC(CC)[N@H+](CCOC)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662253508 414587900 /nfs/dbraw/zinc/58/79/00/414587900.db2.gz ZBWJBJPVQYJCRB-CQSZACIVSA-N 2 0 270.417 1.644 10 0 CDAERP CC(C)[N@@H+](Cc1ccccn1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662260511 414595768 /nfs/dbraw/zinc/59/57/68/414595768.db2.gz NUFHISGATDGUFT-HNNXBMFYSA-N 2 0 275.396 1.813 10 0 CDAERP CN(CC[C@@H]1CCCC[N@@H+]1C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662263822 414600807 /nfs/dbraw/zinc/60/08/07/414600807.db2.gz OCUYRLHEOYOWSJ-LSDHHAIUSA-N 2 0 281.444 1.314 10 0 CDAERP CC(=O)N[C@@H]1CC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000662299808 414624958 /nfs/dbraw/zinc/62/49/58/414624958.db2.gz XLHJWVVZNFTDEE-MRXNPFEDSA-N 2 0 273.380 1.043 10 0 CDAERP C[NH+](C)CCC[C@@H]1C[N@H+](CC2CCOCC2)CCO1 ZINC000662320049 414637411 /nfs/dbraw/zinc/63/74/11/414637411.db2.gz PEMXOFJPEVJSCN-OAHLLOKOSA-N 2 0 270.417 1.456 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCCC[NH2+]1)[NH+]1CCCCC1 ZINC000038029422 174020641 /nfs/dbraw/zinc/02/06/41/174020641.db2.gz DUGSFUYPROWZAH-STQMWFEESA-N 2 0 253.390 1.119 10 0 CDAERP Cc1ccc(C)c([C@@H](C)[N@H+](C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000038030976 174023959 /nfs/dbraw/zinc/02/39/59/174023959.db2.gz HNZTZISTDAMEAM-OAHLLOKOSA-N 2 0 289.423 1.728 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)[C@@H]([NH3+])[C@@H](C)CC)CC1 ZINC000038100758 174115465 /nfs/dbraw/zinc/11/54/65/174115465.db2.gz RFFPQOXHIMNWTO-JSGCOSHPSA-N 2 0 269.433 1.693 10 0 CDAERP [NH3+]CCCNc1ccc2ccc(NCCC[NH3+])nc2n1 ZINC000038878095 174158716 /nfs/dbraw/zinc/15/87/16/174158716.db2.gz NKZWHPWGLZLGMH-UHFFFAOYSA-N 2 0 274.372 1.151 10 0 CDAERP CC[C@H](C)[C@@H](C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508184 174303440 /nfs/dbraw/zinc/30/34/40/174303440.db2.gz GGQLYDALQHETCG-BFHYXJOUSA-N 2 0 267.417 1.317 10 0 CDAERP O[C@H]1CCC[C@H]1[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000040694293 174377878 /nfs/dbraw/zinc/37/78/78/174377878.db2.gz PKPQNQONBYHJJZ-CABCVRRESA-N 2 0 252.402 1.850 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000040716290 174383558 /nfs/dbraw/zinc/38/35/58/174383558.db2.gz CLSXDMVFEUCOMW-ZDUSSCGKSA-N 2 0 262.357 1.361 10 0 CDAERP CCCc1cc(N2CCC[N@H+](C[C@@H](C)C[NH3+])CC2)ncn1 ZINC000040765476 174397620 /nfs/dbraw/zinc/39/76/20/174397620.db2.gz MLRBIZXBGKELEU-AWEZNQCLSA-N 2 0 291.443 1.536 10 0 CDAERP [NH3+]C1CCC(C(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000040768328 174398744 /nfs/dbraw/zinc/39/87/44/174398744.db2.gz USIUIUDFNZGHRX-UHFFFAOYSA-N 2 0 267.417 1.496 10 0 CDAERP CC[C@@H]([NH3+])[C@H](c1ccccn1)N1CC[NH+](CC2CC2)CC1 ZINC000043340195 175014518 /nfs/dbraw/zinc/01/45/18/175014518.db2.gz PBJKYBGXDCVKKN-NVXWUHKLSA-N 2 0 288.439 1.888 10 0 CDAERP C[NH+](C)CCOc1ccc(F)cc1N1CCC[NH2+]CC1 ZINC000043461691 175052135 /nfs/dbraw/zinc/05/21/35/175052135.db2.gz WCTPJILANAEPPK-UHFFFAOYSA-N 2 0 281.375 1.566 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000043591499 175073695 /nfs/dbraw/zinc/07/36/95/175073695.db2.gz JLQRMMOFIDSJKX-UONOGXRCSA-N 2 0 269.433 1.469 10 0 CDAERP CC[NH2+][C@H]1CCCC[C@@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815365 175112223 /nfs/dbraw/zinc/11/22/23/175112223.db2.gz KWIGTLOPGFABIO-GJZGRUSLSA-N 2 0 253.434 1.933 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H](C)C[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000044526826 175191852 /nfs/dbraw/zinc/19/18/52/175191852.db2.gz UFZVFQJBNMKLTA-OKILXGFUSA-N 3 0 253.434 1.506 10 0 CDAERP c1ccc2c(c1)C[NH2+][C@@H](CN[C@@H]1CC[N@@H+](C3CC3)C1)C2 ZINC000044679515 175228427 /nfs/dbraw/zinc/22/84/27/175228427.db2.gz ZMVBBZOGTYYSMH-HZPDHXFCSA-N 2 0 271.408 1.527 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH3+])CCCC2)C1 ZINC000044763650 175247364 /nfs/dbraw/zinc/24/73/64/175247364.db2.gz JLDOCHLCIBAPGW-GFCCVEGCSA-N 2 0 253.390 1.106 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)C2(C[NH3+])CCCC2)C1 ZINC000044763649 175247414 /nfs/dbraw/zinc/24/74/14/175247414.db2.gz JLDOCHLCIBAPGW-LBPRGKRZSA-N 2 0 253.390 1.106 10 0 CDAERP C[NH+](C)CC1CCN(C(=O)C2(C[NH3+])CCCCC2)CC1 ZINC000044763947 175248009 /nfs/dbraw/zinc/24/80/09/175248009.db2.gz HIKYNCAAXAZJCJ-UHFFFAOYSA-N 2 0 281.444 1.696 10 0 CDAERP COCC[C@](C)(C[NH3+])N1CC[NH+](Cc2ccccc2)CC1 ZINC000045043072 175294696 /nfs/dbraw/zinc/29/46/96/175294696.db2.gz JBFYPBKCHKRPDJ-QGZVFWFLSA-N 2 0 291.439 1.558 10 0 CDAERP Cc1nccn1CC[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000045134659 175312381 /nfs/dbraw/zinc/31/23/81/175312381.db2.gz OFXKQBLBBDCPST-CQSZACIVSA-N 2 0 250.390 1.511 10 0 CDAERP Cc1nn(C)c(C)c1[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C)C1 ZINC000045171427 175321282 /nfs/dbraw/zinc/32/12/82/175321282.db2.gz NWEITENULLEIOT-GWCFXTLKSA-N 2 0 250.390 1.639 10 0 CDAERP CC(C)[NH2+][C@](C)(CCC[NH+]1CCCCC1)C(N)=O ZINC000045378369 175367461 /nfs/dbraw/zinc/36/74/61/175367461.db2.gz BOMCMLRZOHNCIW-CQSZACIVSA-N 2 0 255.406 1.495 10 0 CDAERP CCC[NH2+][C@](C)(CCC[N@H+](CC)C1CC1)C(N)=O ZINC000045386584 175373261 /nfs/dbraw/zinc/37/32/61/175373261.db2.gz CPCRCZSOVUTRLA-CQSZACIVSA-N 2 0 255.406 1.495 10 0 CDAERP CC[NH2+][C@@](C)(CCC[N@H+](C)CCc1ccncc1)C(N)=O ZINC000045419841 175377860 /nfs/dbraw/zinc/37/78/60/175377860.db2.gz JUEZCQCYSVHGGY-INIZCTEOSA-N 2 0 292.427 1.190 10 0 CDAERP CN(CC1CCC1)C1(C[NH3+])C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000061455568 175646445 /nfs/dbraw/zinc/64/64/45/175646445.db2.gz FSIYGUMMHXMBEH-YIONKMFJSA-N 2 0 251.418 1.672 10 0 CDAERP [NH3+][C@H]1CCC[C@H](C[NH+]2CCN(c3nccs3)CC2)C1 ZINC000070578377 175993869 /nfs/dbraw/zinc/99/38/69/175993869.db2.gz CJMAIZXZSZAFAM-STQMWFEESA-N 2 0 280.441 1.783 10 0 CDAERP CCC[C@H]1C[C@@](C[NH3+])(N2CC[NH+](CCC)CC2)CCO1 ZINC000070988226 176018622 /nfs/dbraw/zinc/01/86/22/176018622.db2.gz QPMSNJJPOJVRPS-HOTGVXAUSA-N 2 0 283.460 1.691 10 0 CDAERP CC(C)[NH2+][C@@H]1CCN(C[C@H]2CCCC[N@@H+]2C)C1=O ZINC000071033644 176024336 /nfs/dbraw/zinc/02/43/36/176024336.db2.gz JTPOIIUMWIZGLL-CHWSQXEVSA-N 2 0 253.390 1.070 10 0 CDAERP CC(C)[N@H+](C)CCN1CCC[C@@H]([NH2+]C2CC2)C1=O ZINC000071042555 176028521 /nfs/dbraw/zinc/02/85/21/176028521.db2.gz UVOGRYOKTUGNNM-CYBMUJFWSA-N 2 0 253.390 1.070 10 0 CDAERP CCOc1cncc(N2CCC[N@H+](CCCC[NH3+])CC2)n1 ZINC000071175792 176054575 /nfs/dbraw/zinc/05/45/75/176054575.db2.gz FVHAVEGSYLXAQQ-UHFFFAOYSA-N 2 0 293.415 1.126 10 0 CDAERP CCOc1ccc([C@H](C[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000071188627 176063472 /nfs/dbraw/zinc/06/34/72/176063472.db2.gz JKNSKSAKDAMKFW-PBHICJAKSA-N 2 0 291.439 1.969 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)c1ccc(F)cc1C[NH3+] ZINC000071190070 176065768 /nfs/dbraw/zinc/06/57/68/176065768.db2.gz SIMXXWGPHLUFAI-LLVKDONJSA-N 2 0 251.349 1.672 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)c1ncccc1C[NH2+]C1CC1 ZINC000071191653 176070445 /nfs/dbraw/zinc/07/04/45/176070445.db2.gz ACBXBSRLZJIISP-CYBMUJFWSA-N 2 0 274.412 1.722 10 0 CDAERP CCC[NH2+]CC(C)(C)CN(C)C[C@H]1CC[N@H+](C)C1 ZINC000071191509 176070792 /nfs/dbraw/zinc/07/07/92/176070792.db2.gz XROQDQDUPHAEKG-AWEZNQCLSA-N 2 0 255.450 1.896 10 0 CDAERP CC(C)[NH2+]Cc1cc(CN(C)C[C@H]2CC[N@H+](C)C2)on1 ZINC000071191909 176071593 /nfs/dbraw/zinc/07/15/93/176071593.db2.gz FUOLVLUZZCEZIG-ZDUSSCGKSA-N 2 0 280.416 1.556 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C1CCC(C[NH3+])CC1 ZINC000071193298 176075070 /nfs/dbraw/zinc/07/50/70/176075070.db2.gz XQLBENLZZGGDGN-ROKHWSDSSA-N 2 0 267.417 1.162 10 0 CDAERP CCC[NH2+][C@H]1CCCN(CC[N@H+](C)CCOC)C1 ZINC000071199647 176077182 /nfs/dbraw/zinc/07/71/82/176077182.db2.gz BJVYTNZDYUAGNT-AWEZNQCLSA-N 2 0 257.422 1.029 10 0 CDAERP CC(C)[NH2+][C@@H]1CCN(C[C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000071200513 176077463 /nfs/dbraw/zinc/07/74/63/176077463.db2.gz RMKGBCBBZCQUGW-LSDHHAIUSA-N 2 0 253.434 1.789 10 0 CDAERP C[C@H]([NH3+])[C@H](c1ccsc1)N1CC[NH+](CC(C)(C)O)CC1 ZINC000071380339 176144913 /nfs/dbraw/zinc/14/49/13/176144913.db2.gz AJOJZKBLYSSPQB-GXTWGEPZSA-N 2 0 297.468 1.525 10 0 CDAERP CCC[C@H](C(=O)N[C@@H]1CCC[N@H+](CC)C1)[NH+](C)C ZINC000179592049 260057178 /nfs/dbraw/zinc/05/71/78/260057178.db2.gz UKYFLUTZQMIOLV-CHWSQXEVSA-N 2 0 255.406 1.317 10 0 CDAERP CC(C)OCCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001666869917 1173197542 /nfs/dbraw/zinc/19/75/42/1173197542.db2.gz GOJXQMCFEJAVIX-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655444523 423852947 /nfs/dbraw/zinc/85/29/47/423852947.db2.gz GUHDGIDLKQAOJU-FMKPAKJESA-N 2 0 279.428 1.367 10 0 CDAERP CC(C)NC(=O)[C@@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000662315203 423948419 /nfs/dbraw/zinc/94/84/19/423948419.db2.gz CPDHHGVSJIKCEC-ZIAGYGMSSA-N 2 0 267.417 1.223 10 0 CDAERP C[NH2+]C[C@](C)(O)C[N@H+](C)C[C@H]1CCc2ccccc21 ZINC000662321341 423953594 /nfs/dbraw/zinc/95/35/94/423953594.db2.gz HFVFMGVUHRWTFE-ZBFHGGJFSA-N 2 0 262.397 1.619 10 0 CDAERP C[C@@H]1CCC[N@H+](CCO[C@H]2CC2(F)F)[C@H]1CC[NH3+] ZINC000662287271 423915103 /nfs/dbraw/zinc/91/51/03/423915103.db2.gz XKCVNOAUJAECHM-WOPDTQHZSA-N 2 0 262.344 1.860 10 0 CDAERP C[C@@H](CCNC(=O)NCCC1(C[NH3+])CC1)[NH+]1CCCCC1 ZINC000652178626 424000474 /nfs/dbraw/zinc/00/04/74/424000474.db2.gz SCGDXLWJSMECOF-AWEZNQCLSA-N 2 0 296.459 1.679 10 0 CDAERP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cn1 ZINC000655245604 424059139 /nfs/dbraw/zinc/05/91/39/424059139.db2.gz QBTWWCGUSYNHSO-JNSHFYNHSA-N 2 0 290.411 1.213 10 0 CDAERP C[NH+](C)[C@@H]1C[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC000655245816 424060383 /nfs/dbraw/zinc/06/03/83/424060383.db2.gz XKTAUCPYNYGYLJ-OKILXGFUSA-N 2 0 267.417 1.175 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000652215974 424071089 /nfs/dbraw/zinc/07/10/89/424071089.db2.gz FGCZCWNMSHJKNA-ZIAGYGMSSA-N 2 0 284.448 1.533 10 0 CDAERP CCCC[C@H](C[NH3+])NC(=O)NCc1ccccc1C[NH2+]C ZINC000652209344 424079939 /nfs/dbraw/zinc/07/99/39/424079939.db2.gz IAOZQVWMXWNDSJ-OAHLLOKOSA-N 2 0 292.427 1.723 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000652225367 424090163 /nfs/dbraw/zinc/09/01/63/424090163.db2.gz XJCBCBBYQNFQCJ-CYBMUJFWSA-N 2 0 270.421 1.097 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)NC[C@H](C)[NH+](C)C ZINC000652197771 424041485 /nfs/dbraw/zinc/04/14/85/424041485.db2.gz LVSGWVTYXRNPNK-LBPRGKRZSA-N 2 0 278.400 1.155 10 0 CDAERP [NH3+]C1(CNC(=O)[C@H]2CCC[NH2+]CC2)CCCCCC1 ZINC000653044862 424155712 /nfs/dbraw/zinc/15/57/12/424155712.db2.gz GPRXGRAQQAKFPP-ZDUSSCGKSA-N 2 0 267.417 1.544 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000653054165 424176440 /nfs/dbraw/zinc/17/64/40/424176440.db2.gz AWGBQWMVAJGLOK-IUODEOHRSA-N 2 0 275.396 1.712 10 0 CDAERP C[NH2+]CCc1ccccc1C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655518943 424266433 /nfs/dbraw/zinc/26/64/33/424266433.db2.gz NARCSFIUSFBWNL-LLVKDONJSA-N 2 0 289.301 1.068 10 0 CDAERP COc1ccc(C2CC[NH+](CCOCC[NH3+])CC2)nc1 ZINC000652344505 424276005 /nfs/dbraw/zinc/27/60/05/424276005.db2.gz MEXIIKSNJMDXNZ-UHFFFAOYSA-N 2 0 279.384 1.245 10 0 CDAERP CC1(C)CC[NH2+][C@@H]1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000662682844 424311727 /nfs/dbraw/zinc/31/17/27/424311727.db2.gz JRWDWBIXUFRWNE-OAHLLOKOSA-N 2 0 293.455 1.709 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000664719133 424325537 /nfs/dbraw/zinc/32/55/37/424325537.db2.gz OCGVCICKKVBWAL-WFASDCNBSA-N 2 0 267.417 1.223 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000653133658 424341648 /nfs/dbraw/zinc/34/16/48/424341648.db2.gz UKVKKFRVOQUUAO-CHWSQXEVSA-N 2 0 261.369 1.188 10 0 CDAERP C[C@H]1CC[C@@H]([NH2+]CCCC[NH+]2CCN(C)CC2)CS1 ZINC000655688876 424392885 /nfs/dbraw/zinc/39/28/85/424392885.db2.gz OMCJJZKTECEJPI-LSDHHAIUSA-N 2 0 285.501 1.888 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[C@@H]([NH3+])C(C)C)C[C@H]1C ZINC000659620185 424416059 /nfs/dbraw/zinc/41/60/59/424416059.db2.gz BZGSQXWCJLSHPP-QLFBSQMISA-N 2 0 298.475 1.874 10 0 CDAERP C[C@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)[NH+](C)C1CC1 ZINC000660856073 424389835 /nfs/dbraw/zinc/38/98/35/424389835.db2.gz XRIPJQDPGYPGKK-OCCSQVGLSA-N 2 0 296.459 1.641 10 0 CDAERP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cn2ccccc2n1 ZINC000655715995 424487110 /nfs/dbraw/zinc/48/71/10/424487110.db2.gz QDPMMXIVTZFWKS-ZDUSSCGKSA-N 2 0 288.395 1.442 10 0 CDAERP C[C@H]([NH3+])c1ccc(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000655489118 424504017 /nfs/dbraw/zinc/50/40/17/424504017.db2.gz MFVYEJGUMDXQSI-SLEUVZQESA-N 2 0 275.396 1.776 10 0 CDAERP C[N@@H+]1CC[C@H](NCC2([NH3+])CCCC2)[C@H]2CCC[C@H]21 ZINC000665247254 424472465 /nfs/dbraw/zinc/47/24/65/424472465.db2.gz YPJFTPYOAOUOML-HZSPNIEDSA-N 2 0 251.418 1.720 10 0 CDAERP CC(C)C[C@H](C[NH2+]CCF)NC(=O)C12CCC[NH+]1CCC2 ZINC001667097427 1173234536 /nfs/dbraw/zinc/23/45/36/1173234536.db2.gz NUXQZJIIJYYFML-CQSZACIVSA-N 2 0 299.434 1.705 10 0 CDAERP CC[C@@H](C(=O)N1CCCC[C@@H]1CC[NH2+]CCF)[NH+](C)C ZINC001667284193 1173251052 /nfs/dbraw/zinc/25/10/52/1173251052.db2.gz FTNOIWWTWIMSJX-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000189245468 270275678 /nfs/dbraw/zinc/27/56/78/270275678.db2.gz OCXUBJWHJUPFOM-SJORKVTESA-N 2 0 295.471 1.657 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000517234853 270515104 /nfs/dbraw/zinc/51/51/04/270515104.db2.gz UXGVSEQSJMDRBF-RYUDHWBXSA-N 2 0 255.406 1.303 10 0 CDAERP C[C@@H]([NH2+]C[C@@]1(C)COc2ccccc2O1)C1C[NH2+]C1 ZINC000530207336 271150302 /nfs/dbraw/zinc/15/03/02/271150302.db2.gz DFXVSZFSXGPEGD-ABAIWWIYSA-N 2 0 262.353 1.414 10 0 CDAERP CC(C)OCCC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530239589 271176903 /nfs/dbraw/zinc/17/69/03/271176903.db2.gz GMGWUOCLNDSDEW-MRXNPFEDSA-N 2 0 284.444 1.892 10 0 CDAERP Cc1cc(N[C@H]2CCC[NH2+]C2)nc(N2CCCC2)[nH+]1 ZINC000057329287 274719865 /nfs/dbraw/zinc/71/98/65/274719865.db2.gz BOAKJAZENOGPOP-LBPRGKRZSA-N 2 0 261.373 1.549 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2CCOCC2)[C@H]2CCC[C@@H]21 ZINC000367517481 277170573 /nfs/dbraw/zinc/17/05/73/277170573.db2.gz BKXKSBLCJIHHJZ-ILXRZTDVSA-N 2 0 252.402 1.875 10 0 CDAERP COC(C)(C)[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000340474840 277178092 /nfs/dbraw/zinc/17/80/92/277178092.db2.gz OCHNZRAIWCXADM-QWHCGFSZSA-N 2 0 258.406 1.236 10 0 CDAERP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC000227605895 277186534 /nfs/dbraw/zinc/18/65/34/277186534.db2.gz ITMUFVGJIUDQSC-ZDUSSCGKSA-N 2 0 283.416 1.728 10 0 CDAERP COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420374040 277373911 /nfs/dbraw/zinc/37/39/11/277373911.db2.gz MZGGLWUYDHNCDM-YJNKXOJESA-N 2 0 280.412 1.650 10 0 CDAERP CSc1ccccc1C[C@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000263312567 278176715 /nfs/dbraw/zinc/17/67/15/278176715.db2.gz YYRCLALZYVSTKK-FPMFFAJLSA-N 2 0 280.437 1.509 10 0 CDAERP CC1(C)C[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)C(C)(C)O1 ZINC000151330248 278369183 /nfs/dbraw/zinc/36/91/83/278369183.db2.gz CSDVBVDKNPRDPR-UONOGXRCSA-N 2 0 284.444 1.769 10 0 CDAERP CC1(C[NH2+][C@H]2CCC(=O)NC2(C)C)CC[NH2+]CC1 ZINC000335563719 278463369 /nfs/dbraw/zinc/46/33/69/278463369.db2.gz HBBPGSYUIMPBSI-NSHDSACASA-N 2 0 253.390 1.023 10 0 CDAERP CC(C)C[NH+]1CCC(N[C@H]2CCC[NH2+]CC2)CC1 ZINC000422822051 278870043 /nfs/dbraw/zinc/87/00/43/278870043.db2.gz ZPIJZZBRLQETNL-AWEZNQCLSA-N 2 0 253.434 1.839 10 0 CDAERP CC(C)C[C@H](C[NH3+])NC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000418410189 279136968 /nfs/dbraw/zinc/13/69/68/279136968.db2.gz BXYUJHHFBFZHLT-OCCSQVGLSA-N 2 0 282.432 1.238 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000367903435 279264112 /nfs/dbraw/zinc/26/41/12/279264112.db2.gz KSCXBGATSPTNCO-OWCLPIDISA-N 2 0 293.455 1.851 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CCC3(CC[NH2+]3)CC2)C1 ZINC000335021900 279318657 /nfs/dbraw/zinc/31/86/57/279318657.db2.gz KHLMYNJZSYYXJG-ZDUSSCGKSA-N 2 0 280.416 1.008 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)N[C@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000418489931 279396718 /nfs/dbraw/zinc/39/67/18/279396718.db2.gz PAVKZKFZYZSKQZ-MELADBBJSA-N 2 0 282.432 1.110 10 0 CDAERP CC(C)[C@@H](C(=O)N1CCC2(CC[NH2+]C2)CC1)[C@@H](C)[NH3+] ZINC000335046106 279760975 /nfs/dbraw/zinc/76/09/75/279760975.db2.gz ZQCCFVIJBNRBAQ-CHWSQXEVSA-N 2 0 267.417 1.208 10 0 CDAERP CC[C@@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[NH+](C)C ZINC000338966004 280075307 /nfs/dbraw/zinc/07/53/07/280075307.db2.gz JYFSLEVFYYZSQZ-GSPSYOTPSA-N 2 0 267.417 1.458 10 0 CDAERP CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](CC)C1)[NH+](CC)CC ZINC000344082779 280077967 /nfs/dbraw/zinc/07/79/67/280077967.db2.gz XGMVBUMNXIFNMB-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)[NH+](C)C ZINC000299151934 280080620 /nfs/dbraw/zinc/08/06/20/280080620.db2.gz YXDWJRLLQJTZJC-HOTGVXAUSA-N 2 0 291.439 1.616 10 0 CDAERP CC[NH+](CC)CCCNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245673869 280226712 /nfs/dbraw/zinc/22/67/12/280226712.db2.gz FPDCTNVGPORYPA-LSDHHAIUSA-N 2 0 298.475 1.842 10 0 CDAERP CC(C)[C@H](CO)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000348297571 280260186 /nfs/dbraw/zinc/26/01/86/280260186.db2.gz ZQZZFKVDNRVQGD-YJNKXOJESA-N 2 0 254.418 1.713 10 0 CDAERP CCOC[C@H](O)C[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000246982511 280313642 /nfs/dbraw/zinc/31/36/42/280313642.db2.gz VXYVGMYHZARXJC-MCIONIFRSA-N 2 0 258.406 1.046 10 0 CDAERP CC(C)(C)[C@H](O)C[C@H](CO)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000521899181 281076873 /nfs/dbraw/zinc/07/68/73/281076873.db2.gz MPGIDKLRSUYCPC-WUHRBBMRSA-N 2 0 258.406 1.004 10 0 CDAERP C[C@@H]([NH2+]C[C@H]1CCCN1CCCO)[C@@H]1C[C@H]1C1CC1 ZINC000527713069 281175299 /nfs/dbraw/zinc/17/52/99/281175299.db2.gz JJJGFDNKPRLEQF-OJLVUWQFSA-N 2 0 266.429 1.857 10 0 CDAERP C[C@@H]([NH3+])c1ccc(NC(=O)COC2CCC([NH3+])CC2)cc1 ZINC000563103332 293275711 /nfs/dbraw/zinc/27/57/11/293275711.db2.gz GVXKOJGCNAVNFA-NUYPLMSZSA-N 2 0 291.395 1.931 10 0 CDAERP C[NH2+][C@@H](C)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000565213277 293563137 /nfs/dbraw/zinc/56/31/37/293563137.db2.gz FWTMISCXGNWLSQ-JTQLQIEISA-N 2 0 267.348 1.111 10 0 CDAERP C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C(C)(C)C ZINC000568998274 294138484 /nfs/dbraw/zinc/13/84/84/294138484.db2.gz ZKZAISRUNCEPKV-UHFFFAOYSA-N 2 0 267.417 1.460 10 0 CDAERP CC[NH2+]Cc1ccccc1NC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000570683618 294288683 /nfs/dbraw/zinc/28/86/83/294288683.db2.gz YAJBTPWHOZZIIJ-CZUORRHYSA-N 2 0 273.380 1.734 10 0 CDAERP C[C@@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC000572630470 294662920 /nfs/dbraw/zinc/66/29/20/294662920.db2.gz URFLCZWFZFOHQV-GRYCIOLGSA-N 2 0 255.406 1.267 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CNC[C@H]([NH3+])C1CC1 ZINC000574782188 295054431 /nfs/dbraw/zinc/05/44/31/295054431.db2.gz WYKJMYJGVYTFSF-HNNXBMFYSA-N 2 0 271.368 1.403 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000574861954 295065051 /nfs/dbraw/zinc/06/50/51/295065051.db2.gz OZNCIYNMICEKJN-SNPRPXQTSA-N 2 0 275.396 1.581 10 0 CDAERP C[C@H]1CCC[C@](CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])([NH+](C)C)C1 ZINC000089459228 299909854 /nfs/dbraw/zinc/90/98/54/299909854.db2.gz FNVHBZUZKSNXSL-HWMZRRJGSA-N 2 0 295.471 1.988 10 0 CDAERP [NH3+][C@@H]1CC[C@@H](C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000228221783 295319660 /nfs/dbraw/zinc/31/96/60/295319660.db2.gz QJZRCUGINOQHNB-MCIONIFRSA-N 2 0 265.401 1.201 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000418602404 297105695 /nfs/dbraw/zinc/10/56/95/297105695.db2.gz VPZPPHLKGKUDHD-ILXRZTDVSA-N 2 0 294.443 1.254 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)CCCCCC[NH3+])CC[N@@H+]1C ZINC000178815314 297256798 /nfs/dbraw/zinc/25/67/98/297256798.db2.gz XKYVDVPCIWWHQV-KGLIPLIRSA-N 2 0 269.433 1.837 10 0 CDAERP C[C@H](CC(=O)N1CC[C@@H]([NH+](C)C)C1)[C@@H]1CCC[NH2+]C1 ZINC000211105345 298295027 /nfs/dbraw/zinc/29/50/27/298295027.db2.gz CSBCKMHDIDQFLG-MGPQQGTHSA-N 2 0 267.417 1.175 10 0 CDAERP CC/C=C/CC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001669183095 1173515371 /nfs/dbraw/zinc/51/53/71/1173515371.db2.gz LIGRCJWSEUQCQA-BLQLISMGSA-N 2 0 279.428 1.556 10 0 CDAERP CC(C)CCC[NH2+]C[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001669559377 1173569876 /nfs/dbraw/zinc/56/98/76/1173569876.db2.gz MJLASDBIMKVFMX-HOCLYGCPSA-N 2 0 295.471 1.859 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000227282143 303465810 /nfs/dbraw/zinc/46/58/10/303465810.db2.gz LRGSXXKIQAFLHI-BFHYXJOUSA-N 2 0 265.401 1.201 10 0 CDAERP O=C(NC[C@H]1CCC[NH2+]1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000418361112 303805678 /nfs/dbraw/zinc/80/56/78/303805678.db2.gz GRTBPGAOBYLMGW-OAHLLOKOSA-N 2 0 294.443 1.256 10 0 CDAERP COCC[NH2+]C1CCN(C[C@@H]([NH3+])CC(C)C)CC1 ZINC000577067736 317260281 /nfs/dbraw/zinc/26/02/81/317260281.db2.gz JZZZTTDAESFEBK-ZDUSSCGKSA-N 2 0 257.422 1.060 10 0 CDAERP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NCCNc1cc[nH+]cc1 ZINC000577175060 317278555 /nfs/dbraw/zinc/27/85/55/317278555.db2.gz CCBCPNLOQCSOTD-LSDHHAIUSA-N 2 0 290.411 1.329 10 0 CDAERP COC[C@@H](O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185693914 323394191 /nfs/dbraw/zinc/39/41/91/323394191.db2.gz RSEFRBSPMZOYDJ-NFAWXSAZSA-N 2 0 270.417 1.236 10 0 CDAERP CC[NH2+]CCCNC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000580429529 324460337 /nfs/dbraw/zinc/46/03/37/324460337.db2.gz NKVQHELEZVESRY-QWHCGFSZSA-N 2 0 255.406 1.400 10 0 CDAERP CCCC[NH2+][C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC001673904873 1173896241 /nfs/dbraw/zinc/89/62/41/1173896241.db2.gz NVSVNUGXONGEBZ-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000583879866 325259940 /nfs/dbraw/zinc/25/99/40/325259940.db2.gz FHQOJVZYVYAKCV-KKUMJFAQSA-N 2 0 270.417 1.048 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C(C)C)C[C@H](C)O ZINC001731307054 1159289913 /nfs/dbraw/zinc/28/99/13/1159289913.db2.gz RWMKHNVFPIFWID-LSDHHAIUSA-N 2 0 299.459 1.068 10 0 CDAERP CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001271261795 1160316478 /nfs/dbraw/zinc/31/64/78/1160316478.db2.gz SDMJLWVTPRJYRO-QLFBSQMISA-N 2 0 283.460 1.857 10 0 CDAERP Cc1n[nH]c(C)c1CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000668740660 482224777 /nfs/dbraw/zinc/22/47/77/482224777.db2.gz LIDZDHFRHFWIHQ-CQSZACIVSA-N 2 0 278.400 1.058 10 0 CDAERP C[C@@H]1CCC[C@@](CNC(=O)CC2([NH3+])CC2)([NH+](C)C)C1 ZINC000398065194 482241833 /nfs/dbraw/zinc/24/18/33/482241833.db2.gz HPEBAGVDCVASFE-IUODEOHRSA-N 2 0 267.417 1.495 10 0 CDAERP COC[C@H](C)C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000668440991 482438561 /nfs/dbraw/zinc/43/85/61/482438561.db2.gz SNCQBXOBHSUNHQ-CQSZACIVSA-N 2 0 284.444 1.750 10 0 CDAERP OC[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CCC1 ZINC000668456268 482444546 /nfs/dbraw/zinc/44/45/46/482444546.db2.gz AARRTYDWJSGKGG-INIZCTEOSA-N 2 0 275.396 1.801 10 0 CDAERP OCCC[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)C1CC1 ZINC000652338173 482463078 /nfs/dbraw/zinc/46/30/78/482463078.db2.gz HIJKHIQNWRMOBY-UHFFFAOYSA-N 2 0 260.381 1.679 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)C2([NH+](C)C)CC2)CC[N@@H+]1C ZINC000669126696 482479947 /nfs/dbraw/zinc/47/99/47/482479947.db2.gz ZQLLYEDIRJCNNW-NEPJUHHUSA-N 2 0 253.390 1.022 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000669509724 482515212 /nfs/dbraw/zinc/51/52/12/482515212.db2.gz PLFUUUJJEYOSMQ-NWDGAFQWSA-N 2 0 253.390 1.023 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000164988106 482558315 /nfs/dbraw/zinc/55/83/15/482558315.db2.gz QVCRAZLQIQTORV-XQQFMLRXSA-N 2 0 253.390 1.104 10 0 CDAERP CC(C)CC[NH+]1CCC(CNC(=O)NC/C=C\C[NH3+])CC1 ZINC000669522681 482573360 /nfs/dbraw/zinc/57/33/60/482573360.db2.gz LMQNIFTWOTWPAX-ARJAWSKDSA-N 2 0 296.459 1.559 10 0 CDAERP CCc1cc(NC(=O)NCCN(C)CCC[NH+](C)C)no1 ZINC000666148807 482579020 /nfs/dbraw/zinc/57/90/20/482579020.db2.gz KPBBIXSEKLUJKR-UHFFFAOYSA-N 2 0 297.403 1.242 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](CO)CC2)[C@@H]2CCC[C@@H]21 ZINC000671750609 482621998 /nfs/dbraw/zinc/62/19/98/482621998.db2.gz KAGQXJZLZZTXIL-QRJUGERDSA-N 2 0 266.429 2.000 10 0 CDAERP CC[N@@H+]1CCN(C(=O)CC[C@H]2CCCC[NH+]2C)C[C@@H]1C ZINC000673036048 482668092 /nfs/dbraw/zinc/66/80/92/482668092.db2.gz JVWYXLNAGRRGIL-LSDHHAIUSA-N 2 0 281.444 1.804 10 0 CDAERP CC(C)[NH2+]CCC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000094459725 482789794 /nfs/dbraw/zinc/78/97/94/482789794.db2.gz XVTDMNJPIWPJHY-CHWSQXEVSA-N 2 0 253.390 1.070 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000669402905 482885449 /nfs/dbraw/zinc/88/54/49/482885449.db2.gz ACOPFALBWVEWEH-SWLSCSKDSA-N 2 0 290.411 1.600 10 0 CDAERP O=C1c2ccccc2C(=O)N1CC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666857886 482952998 /nfs/dbraw/zinc/95/29/98/482952998.db2.gz OETIRDJSXARGHB-GFCCVEGCSA-N 2 0 287.363 1.014 10 0 CDAERP [NH3+]Cc1ccc(-c2noc(C3([NH3+])CCCC3)n2)cc1 ZINC000262002463 482961791 /nfs/dbraw/zinc/96/17/91/482961791.db2.gz LLPLTAJIEHBSDN-UHFFFAOYSA-N 2 0 258.325 1.923 10 0 CDAERP Cc1cc(C)n2c(C[NH2+][C@@H]3CC34CC[NH2+]CC4)cnc2n1 ZINC000666952153 483016316 /nfs/dbraw/zinc/01/63/16/483016316.db2.gz HWUWLSVHVNWRML-CQSZACIVSA-N 2 0 285.395 1.578 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000250862926 483028137 /nfs/dbraw/zinc/02/81/37/483028137.db2.gz QQBIFWNAFDGFED-XUXIUFHCSA-N 2 0 265.401 1.104 10 0 CDAERP C[NH+]1CCN(C[C@H](O)C[NH2+]CCC2CCCCC2)CC1 ZINC000666126342 483037720 /nfs/dbraw/zinc/03/77/20/483037720.db2.gz LUYJXTFSFVNSKR-MRXNPFEDSA-N 2 0 283.460 1.155 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(C[NH3+])c1 ZINC000251541308 483050012 /nfs/dbraw/zinc/05/00/12/483050012.db2.gz ATYJTFNOYPLTPW-DOMZBBRYSA-N 2 0 288.395 1.846 10 0 CDAERP [NH3+]C[C@H]1CCC[C@@H]1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000089453874 483078700 /nfs/dbraw/zinc/07/87/00/483078700.db2.gz NTVRFMOFSKGPCJ-RISCZKNCSA-N 2 0 265.401 1.104 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000667148605 483110764 /nfs/dbraw/zinc/11/07/64/483110764.db2.gz GUNPETMVGBUFDP-UWVGGRQHSA-N 2 0 274.328 1.125 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000669469233 483180547 /nfs/dbraw/zinc/18/05/47/483180547.db2.gz HJOODAYRQXYCPE-KFWWJZLASA-N 2 0 296.459 1.691 10 0 CDAERP CO[C@@H]1CCC[C@H]([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000684376205 483315664 /nfs/dbraw/zinc/31/56/64/483315664.db2.gz GHXBSLIXGIJBHP-SOUVJXGZSA-N 2 0 297.443 1.121 10 0 CDAERP C[C@@H](NC(=O)N[C@H]1CCC[N@H+](C)C1)C1=CC[NH+](C)CC1 ZINC000679686408 483422252 /nfs/dbraw/zinc/42/22/52/483422252.db2.gz MSXVFSYKEGSXHM-OCCSQVGLSA-N 2 0 280.416 1.030 10 0 CDAERP CCN1CC[NH+](CCCC[NH2+][C@@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667783893 483425338 /nfs/dbraw/zinc/42/53/38/483425338.db2.gz AKDSVCMWXVSXHL-IRXDYDNUSA-N 2 0 295.471 1.561 10 0 CDAERP CN1CC[NH+](CCCC[NH2+]CC2(C)CCC2)CC1 ZINC000683435168 483521571 /nfs/dbraw/zinc/52/15/71/483521571.db2.gz DFBMYOZNNNMAQK-UHFFFAOYSA-N 2 0 253.434 1.794 10 0 CDAERP C[NH+]1CCC(CC(=O)NC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000680359568 483594855 /nfs/dbraw/zinc/59/48/55/483594855.db2.gz TXWFNTDNYDJMAM-AWEZNQCLSA-N 2 0 267.417 1.176 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000680497546 483638878 /nfs/dbraw/zinc/63/88/78/483638878.db2.gz JDPGAINJWMZJGD-KGLIPLIRSA-N 2 0 282.432 1.206 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001691623095 1160721829 /nfs/dbraw/zinc/72/18/29/1160721829.db2.gz LIQZMHIECDLPMV-OAGGEKHMSA-N 2 0 295.471 1.811 10 0 CDAERP C[C@H](CNC(=O)C12CCC[NH+]1CCC2)[N@@H+](C)CC[C@H](C)F ZINC001409565461 1160848260 /nfs/dbraw/zinc/84/82/60/1160848260.db2.gz IOGOXQNERFRKGE-UONOGXRCSA-N 2 0 299.434 1.799 10 0 CDAERP CC(C)OCCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001483240277 1160878876 /nfs/dbraw/zinc/87/88/76/1160878876.db2.gz DGAWUMGQBMATID-LSDHHAIUSA-N 2 0 299.459 1.380 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000049220755 519814135 /nfs/dbraw/zinc/81/41/35/519814135.db2.gz KTBUIGGGGMLEKF-KBPBESRZSA-N 2 0 263.385 1.389 10 0 CDAERP CCOCCC[NH2+]CCN1CC[NH+]([C@H](C)CC)CC1 ZINC000055075042 519896814 /nfs/dbraw/zinc/89/68/14/519896814.db2.gz IGGPQQVFOFAVDY-OAHLLOKOSA-N 2 0 271.449 1.419 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000061289872 519905693 /nfs/dbraw/zinc/90/56/93/519905693.db2.gz QICVPUKBSRXOHO-LBPRGKRZSA-N 2 0 255.406 1.365 10 0 CDAERP CC(C)=CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001700823666 1161004224 /nfs/dbraw/zinc/00/42/24/1161004224.db2.gz YZEQCELXQLUVGR-LSDHHAIUSA-N 2 0 293.455 1.873 10 0 CDAERP CC[NH2+]Cc1cn(CC[N@H+](CC)C2CCCC2)nn1 ZINC000052457757 520012432 /nfs/dbraw/zinc/01/24/32/520012432.db2.gz ULSSXWBPUHQYMZ-UHFFFAOYSA-N 2 0 265.405 1.652 10 0 CDAERP CCCC[N@H+](C)CCn1cc(C[NH2+]C(C)C)nn1 ZINC000052417991 520410831 /nfs/dbraw/zinc/41/08/31/520410831.db2.gz SCMHWLGGHAKGFA-UHFFFAOYSA-N 2 0 253.394 1.508 10 0 CDAERP CCO[C@H](C[NH3+])CC[N@@H+]1CCc2sccc2C1 ZINC000062740864 520515728 /nfs/dbraw/zinc/51/57/28/520515728.db2.gz OSEJPBMYUJVCFB-LBPRGKRZSA-N 2 0 254.399 1.860 10 0 CDAERP CC(C)[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001714454844 1179146176 /nfs/dbraw/zinc/14/61/76/1179146176.db2.gz SHOFKKXQBZDUCF-AWEZNQCLSA-N 2 0 269.433 1.658 10 0 CDAERP C[NH+](C)CCN1CCN(CC(C)(C)C[NH2+]C(C)(C)C)CC1 ZINC000061653762 521760593 /nfs/dbraw/zinc/76/05/93/521760593.db2.gz KNWVOZKPOLXVQL-UHFFFAOYSA-N 2 0 298.519 1.580 10 0 CDAERP C[NH2+]CC1(CN2CCC[C@H]2C[NH+](C)C)CCCC1 ZINC000061653473 521969235 /nfs/dbraw/zinc/96/92/35/521969235.db2.gz YQUVPWCWRGBXEE-AWEZNQCLSA-N 2 0 253.434 1.792 10 0 CDAERP C[NH2+]C[C@H]1CC[C@H](C[N@H+](C)C[C@@H]2CCCCO2)O1 ZINC000052507605 522095165 /nfs/dbraw/zinc/09/51/65/522095165.db2.gz KHQKBPZJDSOLOV-HZSPNIEDSA-N 2 0 256.390 1.254 10 0 CDAERP CCC[NH+]1CCN(C[C@@]2(CCC)CC[NH2+]C2)CC1 ZINC000062910952 517584547 /nfs/dbraw/zinc/58/45/47/517584547.db2.gz LQEMMHURDDGULW-HNNXBMFYSA-N 2 0 253.434 1.794 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000047884097 517643638 /nfs/dbraw/zinc/64/36/38/517643638.db2.gz HBNHFJDLLNWUMF-CQSZACIVSA-N 2 0 298.475 1.889 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000418550363 518179591 /nfs/dbraw/zinc/17/95/91/518179591.db2.gz AMBVAGMCMHDZDB-ILXRZTDVSA-N 2 0 294.443 1.254 10 0 CDAERP CC(C)[NH+]1CCN(C[C@](C)([NH3+])c2ccccc2)CC1 ZINC000052883338 519682339 /nfs/dbraw/zinc/68/23/39/519682339.db2.gz NFIVOJZOIRORIM-INIZCTEOSA-N 2 0 261.413 1.887 10 0 CDAERP CC(C)C[NH+]1CCN([C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000055077555 519728669 /nfs/dbraw/zinc/72/86/69/519728669.db2.gz YQTYDMZFARSYCE-CABCVRRESA-N 2 0 253.434 1.778 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CC[C@@H](CN2CCC([NH+](C)C)CC2)O1 ZINC000052477817 519745315 /nfs/dbraw/zinc/74/53/15/519745315.db2.gz ZTNKKMMNVWAAEY-IRXDYDNUSA-N 2 0 297.487 1.806 10 0 CDAERP CC(C)C[NH2+]Cc1cccnc1N1CCC[N@H+](C)CC1 ZINC000051437292 519747976 /nfs/dbraw/zinc/74/79/76/519747976.db2.gz HITAYBWKWAVBIW-UHFFFAOYSA-N 2 0 276.428 1.969 10 0 CDAERP CC(C)OCCC[NH2+]CCN1CC[C@@H]([NH+](C)C)C1 ZINC000062974190 519764284 /nfs/dbraw/zinc/76/42/84/519764284.db2.gz BQDFMEDUZRMRLX-CQSZACIVSA-N 2 0 257.422 1.027 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC000055138041 519775384 /nfs/dbraw/zinc/77/53/84/519775384.db2.gz RIBFNOWETWDCAP-QPSCCSFWSA-N 2 0 283.460 1.842 10 0 CDAERP CC(C)[C@@H](CNC(=O)CC[C@@H]1CCCC[NH2+]1)[NH+](C)C ZINC000050950048 519794428 /nfs/dbraw/zinc/79/44/28/519794428.db2.gz MUWNCSBHDWMSJA-UONOGXRCSA-N 2 0 269.433 1.611 10 0 CDAERP CCC[NH+]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])CC[C@@H]2C)CC1 ZINC000055124581 519856271 /nfs/dbraw/zinc/85/62/71/519856271.db2.gz YQZUGQZUKFZLPF-IHRRRGAJSA-N 2 0 267.417 1.304 10 0 CDAERP CCCC1CC[NH+](CCCC[C@@](C)([NH3+])C(N)=O)CC1 ZINC000050905924 519900766 /nfs/dbraw/zinc/90/07/66/519900766.db2.gz QTPMPNNPAHZSEM-OAHLLOKOSA-N 2 0 269.433 1.872 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)N(CC[NH+](C)C)Cc1cccnc1 ZINC000061296562 519903841 /nfs/dbraw/zinc/90/38/41/519903841.db2.gz YYBMWUQIGCSBHF-UHFFFAOYSA-N 2 0 292.427 1.360 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)C[C@@H]2CCCO2)O1 ZINC000052541062 519936571 /nfs/dbraw/zinc/93/65/71/519936571.db2.gz XLUPIPZWWLLENO-ILXRZTDVSA-N 2 0 270.417 1.644 10 0 CDAERP CCC[NH2+]Cc1cc(CN2CCC[C@H]2C[NH+](C)C)on1 ZINC000061654427 519945566 /nfs/dbraw/zinc/94/55/66/519945566.db2.gz ANICGRRIMHIZJV-AWEZNQCLSA-N 2 0 280.416 1.700 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)C2CCOCC2)O1 ZINC000052481256 519951056 /nfs/dbraw/zinc/95/10/56/519951056.db2.gz BEQIMACKLXCSOB-KBPBESRZSA-N 2 0 256.390 1.254 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)N1CC[NH+](CCC(C)C)CC1 ZINC000061272701 520062401 /nfs/dbraw/zinc/06/24/01/520062401.db2.gz NZNWQSGFINAHRL-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000061273480 520165331 /nfs/dbraw/zinc/16/53/31/520165331.db2.gz ZLQPRBHJNAQYAX-OLZOCXBDSA-N 2 0 255.406 1.221 10 0 CDAERP CC[N@H+](C)CCNC(=O)CCC1CCC([NH3+])CC1 ZINC000055131859 520225590 /nfs/dbraw/zinc/22/55/90/520225590.db2.gz VISKOLYCJUHBAS-UHFFFAOYSA-N 2 0 255.406 1.352 10 0 CDAERP CCO[C@H](C[NH3+])CC[NH+]1CCN(c2ccccc2F)CC1 ZINC000062740968 520515526 /nfs/dbraw/zinc/51/55/26/520515526.db2.gz GOFWJQRRFUVZFT-AWEZNQCLSA-N 2 0 295.402 1.702 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+]Cc1conc1C ZINC000339347492 520694831 /nfs/dbraw/zinc/69/48/31/520694831.db2.gz PZEKGUZDMXCBAC-UHFFFAOYSA-N 2 0 255.362 1.431 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N(CC[NH+](C)C)C(C)C ZINC000157562928 520853852 /nfs/dbraw/zinc/85/38/52/520853852.db2.gz XTWAASUQVOPFOM-CQSZACIVSA-N 2 0 286.464 1.698 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(C(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000062972760 520869022 /nfs/dbraw/zinc/86/90/22/520869022.db2.gz PPTKAGICYCKSRX-KBPBESRZSA-N 2 0 267.417 1.319 10 0 CDAERP CCC(CC)[NH2+]C[C@H](C)N1CCN(CC[NH+](C)C)CC1 ZINC000061655325 521596884 /nfs/dbraw/zinc/59/68/84/521596884.db2.gz NBXVSLFBYLBOKF-HNNXBMFYSA-N 2 0 284.492 1.332 10 0 CDAERP CCC[N@H+](CCCn1ccnc1)C1CC[NH2+]CC1 ZINC000049328847 521654642 /nfs/dbraw/zinc/65/46/42/521654642.db2.gz FCVJIOQJQAMHOI-UHFFFAOYSA-N 2 0 250.390 1.737 10 0 CDAERP CCC1(C(=O)N2CCC([NH+](C)C)CC2)CC[NH2+]CC1 ZINC000062848351 521660583 /nfs/dbraw/zinc/66/05/83/521660583.db2.gz ONLBOOWHQHTCJR-UHFFFAOYSA-N 2 0 267.417 1.319 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000354871308 521711574 /nfs/dbraw/zinc/71/15/74/521711574.db2.gz MVUNVYKLRNCFKO-HZPDHXFCSA-N 2 0 295.471 1.907 10 0 CDAERP C[NH+](C)CCN1CCN(CC[NH2+]CCC(C)(C)C)CC1 ZINC000061655382 521764512 /nfs/dbraw/zinc/76/45/12/521764512.db2.gz CSEUODJJZHAPTF-UHFFFAOYSA-N 2 0 284.492 1.191 10 0 CDAERP C[NH+](C)CCN1CC[NH+](CCCCCCC[NH3+])CC1 ZINC000061652492 521765573 /nfs/dbraw/zinc/76/55/73/521765573.db2.gz XYKPQVBZUGYGFN-UHFFFAOYSA-N 3 0 270.465 1.075 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1c1cccc(C[NH2+]C2CC2)n1 ZINC000061654350 521876469 /nfs/dbraw/zinc/87/64/69/521876469.db2.gz QJXMQEYFXANYTE-OAHLLOKOSA-N 2 0 274.412 1.864 10 0 CDAERP C[NH2+]C(C)(C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000061318300 521936748 /nfs/dbraw/zinc/93/67/48/521936748.db2.gz YROJJCZFUQYHOA-OAHLLOKOSA-N 2 0 289.423 1.938 10 0 CDAERP C[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)Cc2ccsc2)O1 ZINC000052457369 522058568 /nfs/dbraw/zinc/05/85/68/522058568.db2.gz NVRABTRWSSSEGM-QWHCGFSZSA-N 2 0 254.399 1.947 10 0 CDAERP C[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2ccc(OC)cc2)O1 ZINC000052541676 522093712 /nfs/dbraw/zinc/09/37/12/522093712.db2.gz YGONPDVYSSXXDQ-CVEARBPZSA-N 2 0 278.396 1.894 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)C(CC)(CC)C[NH3+])CC1 ZINC000055071326 522109942 /nfs/dbraw/zinc/10/99/42/522109942.db2.gz JHSXEXRUIMBOAK-CYBMUJFWSA-N 2 0 269.433 1.694 10 0 CDAERP CC[C@H](CC[NH3+])[N@@H+]1CCCN(Cc2cnn(CC)c2)CC1 ZINC000050539209 522127038 /nfs/dbraw/zinc/12/70/38/522127038.db2.gz PGVDYDATOOOBQF-MRXNPFEDSA-N 2 0 293.459 1.538 10 0 CDAERP CC[C@H](CC[NH3+])[N@@H+]1CCCN(c2nccn2C)CC1 ZINC000050605381 522128447 /nfs/dbraw/zinc/12/84/47/522128447.db2.gz OWGQCSXHTQVFRY-CYBMUJFWSA-N 2 0 265.405 1.060 10 0 CDAERP C[NH2+]Cc1ccccc1OCCN1CCC[N@H+](C)CC1 ZINC000052424240 522140586 /nfs/dbraw/zinc/14/05/86/522140586.db2.gz BKMOQDBKZPIVPX-UHFFFAOYSA-N 2 0 277.412 1.422 10 0 CDAERP C[NH2+][C@@H]1CCCC[C@H]1CN1CCC[C@@H]1C[NH+](C)C ZINC000061653656 522378328 /nfs/dbraw/zinc/37/83/28/522378328.db2.gz GIZHJMQSNAZVPE-RRFJBIMHSA-N 2 0 253.434 1.791 10 0 CDAERP C[NH2+][C@H](C)C1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000068875148 522440443 /nfs/dbraw/zinc/44/04/43/522440443.db2.gz XGOFATKFOMRPRH-PSASIEDQSA-N 2 0 254.296 1.230 10 0 CDAERP C[NH2+][C@H]1CCCC[C@H]1CN(C)CC[NH+]1CCCC1 ZINC000063053729 522489915 /nfs/dbraw/zinc/48/99/15/522489915.db2.gz BLXQDGCEWKMJOT-GJZGRUSLSA-N 2 0 253.434 1.792 10 0 CDAERP CC[C@@H]([NH3+])Cc1ccnc(CC[NH+](CC)CC)n1 ZINC000054834798 522645293 /nfs/dbraw/zinc/64/52/93/522645293.db2.gz YBYNPBDJWKKJBX-GFCCVEGCSA-N 2 0 250.390 1.641 10 0 CDAERP CC[C@@H]([NH3+])[C@H](N1CC[C@H]([NH+](C)C)C1)C(F)(F)F ZINC000062964236 522651475 /nfs/dbraw/zinc/65/14/75/522651475.db2.gz ZQFAHQLCWBTMJH-AEJSXWLSSA-N 2 0 253.312 1.291 10 0 CDAERP COC1CC[NH+](C[C@@H]2CC[C@@H](C[NH2+]C(C)C)O2)CC1 ZINC000052455425 522703753 /nfs/dbraw/zinc/70/37/53/522703753.db2.gz HORMJSMXWUIALJ-GJZGRUSLSA-N 2 0 270.417 1.643 10 0 CDAERP COC[C@H](O)C[NH+]1CCC(C[NH2+]C(C)(C)C)CC1 ZINC000069054687 522786891 /nfs/dbraw/zinc/78/68/91/522786891.db2.gz JWMPZWDCRCURNL-CYBMUJFWSA-N 2 0 258.406 1.094 10 0 CDAERP CC[C@@]1(C(=O)NC[C@H](C)C[NH+]2CCCC2)CCC[NH2+]C1 ZINC000062861493 523693837 /nfs/dbraw/zinc/69/38/37/523693837.db2.gz YJIQCUHYMHRIDX-GOEBONIOSA-N 2 0 281.444 1.614 10 0 CDAERP CN(C(=O)CC[C@@H]1CCCC[NH2+]1)C1CC[NH+](C)CC1 ZINC000050939888 523805922 /nfs/dbraw/zinc/80/59/22/523805922.db2.gz QXGOFEWDWUCSLZ-ZDUSSCGKSA-N 2 0 267.417 1.461 10 0 CDAERP COCC[N@@H+]1CCCN(C(=O)CC[C@@H]2CCCC[NH2+]2)CC1 ZINC000050948011 523818142 /nfs/dbraw/zinc/81/81/42/523818142.db2.gz TWMNPWAYGJVFGA-HNNXBMFYSA-N 2 0 297.443 1.089 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000055136288 523842482 /nfs/dbraw/zinc/84/24/82/523842482.db2.gz PHSUULZDMITIOR-AVGNSLFASA-N 2 0 253.390 1.104 10 0 CDAERP C[C@H]1CCC[C@@H](C(=O)NCCCC[NH+](C)C)[C@@H]1[NH3+] ZINC000055138964 524127921 /nfs/dbraw/zinc/12/79/21/524127921.db2.gz GEHKTYRHDXQNAF-YNEHKIRRSA-N 2 0 255.406 1.208 10 0 CDAERP C[C@@H](CC[NH+](C)C)[NH2+]C[C@H](O)c1ccc2c(c1)OCO2 ZINC000049557351 524473553 /nfs/dbraw/zinc/47/35/53/524473553.db2.gz HVOPKUWFGFZOKD-AAEUAGOBSA-N 2 0 280.368 1.379 10 0 CDAERP C[C@H]1C[C@@H]([NH3+])CC[C@@H]1C(=O)NCC[NH+]1CCCCC1 ZINC000055138406 524791524 /nfs/dbraw/zinc/79/15/24/524791524.db2.gz PHPJRJLDANXXJB-IHRRRGAJSA-N 2 0 267.417 1.352 10 0 CDAERP C[C@H]([NH3+])[C@H](c1ccccc1)N1CCN(CC[NH+](C)C)CC1 ZINC000061642351 524854486 /nfs/dbraw/zinc/85/44/86/524854486.db2.gz ZKJAUZBOBOUUFX-DOTOQJQBSA-N 2 0 290.455 1.254 10 0 CDAERP C[C@H]([NH3+])c1cccc(S(=O)(=O)N[C@@H](C)CC[NH+](C)C)c1 ZINC000049560567 524869716 /nfs/dbraw/zinc/86/97/16/524869716.db2.gz DWCUKZYCYKJSAO-RYUDHWBXSA-N 2 0 299.440 1.325 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC000055138645 525087622 /nfs/dbraw/zinc/08/76/22/525087622.db2.gz LRODDWSDIBOXLF-RFGFWPKPSA-N 2 0 267.417 1.350 10 0 CDAERP Cc1ccc([C@H](C[NH3+])N2CCC[C@@H]2C[NH+](C)C)o1 ZINC000061642214 525952811 /nfs/dbraw/zinc/95/28/11/525952811.db2.gz QXMBFYCPTQCCMC-OLZOCXBDSA-N 2 0 251.374 1.614 10 0 CDAERP Cc1oc(C[NH2+]C(C)C)cc1CN1CC[NH+](C)CC1 ZINC000052379568 526774132 /nfs/dbraw/zinc/77/41/32/526774132.db2.gz MOEBIIMPJJBJEU-UHFFFAOYSA-N 2 0 265.401 1.833 10 0 CDAERP NC(=[NH2+])c1ncccc1CN1CC[NH+](C2CCCC2)CC1 ZINC000061658409 526824601 /nfs/dbraw/zinc/82/46/01/526824601.db2.gz HIRXKTMCLBHPSV-UHFFFAOYSA-N 2 0 287.411 1.426 10 0 CDAERP [NH3+]CC1(C[N@@H+]2CCc3sccc3C2)CCOCC1 ZINC000052180872 527162968 /nfs/dbraw/zinc/16/29/68/527162968.db2.gz NEEFBPSJLAJBML-UHFFFAOYSA-N 2 0 266.410 1.862 10 0 CDAERP [NH3+]Cc1nccnc1O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000061702147 527267415 /nfs/dbraw/zinc/26/74/15/527267415.db2.gz YIFQCSVPERRVNF-CQSZACIVSA-N 2 0 284.363 1.589 10 0 CDAERP NNc1cc(C[N@H+](CCO)C2CCCCC2)cc[nH+]1 ZINC000052720702 527273846 /nfs/dbraw/zinc/27/38/46/527273846.db2.gz OAWDZRIDXRJBHM-UHFFFAOYSA-N 2 0 264.373 1.494 10 0 CDAERP CC[NH+]1CCC(NC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)CC1 ZINC000416853556 535465619 /nfs/dbraw/zinc/46/56/19/535465619.db2.gz OCEZBRIZBININX-AWEZNQCLSA-N 2 0 280.416 1.007 10 0 CDAERP CC[NH+](CC)CCNC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000416793528 535536581 /nfs/dbraw/zinc/53/65/81/535536581.db2.gz NEADULBFRCCVSJ-ZDUSSCGKSA-N 2 0 292.427 1.847 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2CC[NH2+]C)C1 ZINC000228501774 535537069 /nfs/dbraw/zinc/53/70/69/535537069.db2.gz BRIBCCQXGNXDKS-OAHLLOKOSA-N 2 0 289.423 1.663 10 0 CDAERP CCNC(=O)N1CC[C@@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)C1 ZINC000090411711 535791908 /nfs/dbraw/zinc/79/19/08/535791908.db2.gz JYRLAZGRXVQLQO-IGQOVBAYSA-N 2 0 282.432 1.109 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1)Cc1ccccc1 ZINC000246750133 536383861 /nfs/dbraw/zinc/38/38/61/536383861.db2.gz ZSZBJDJSOYOYIF-HUUCEWRRSA-N 2 0 275.396 1.362 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCc1ccc2c(c1)CCO2 ZINC000422726798 536595343 /nfs/dbraw/zinc/59/53/43/536595343.db2.gz FYYBAYODVMTNOK-OAHLLOKOSA-N 2 0 278.396 1.508 10 0 CDAERP CN(Cc1cccc2c1CC[NH2+]C2)C[C@H]1CCC[N@@H+]1C ZINC000123997983 538418982 /nfs/dbraw/zinc/41/89/82/538418982.db2.gz PDIWJMFGDHCMRS-MRXNPFEDSA-N 2 0 273.424 1.858 10 0 CDAERP C[C@@H](CO)C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000769447770 576354659 /nfs/dbraw/zinc/35/46/59/576354659.db2.gz XRTZEKPMFHMTFV-CYBMUJFWSA-N 2 0 250.386 1.808 10 0 CDAERP c1cn(-c2cc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)ccn2)cn1 ZINC000754796237 576916170 /nfs/dbraw/zinc/91/61/70/576916170.db2.gz UCXKUJXXIDSBSB-HOTGVXAUSA-N 2 0 297.406 1.984 10 0 CDAERP CC(C)CC[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001689811178 1175268584 /nfs/dbraw/zinc/26/85/84/1175268584.db2.gz ZVOAJBYPLXXGCD-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[N@H+](CCCNC(=O)C[NH+](C)C1CCC1)C1CC1 ZINC001689992262 1175338103 /nfs/dbraw/zinc/33/81/03/1175338103.db2.gz RFYIIOOJEXLMJX-UHFFFAOYSA-N 2 0 281.444 1.850 10 0 CDAERP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925515973 617425613 /nfs/dbraw/zinc/42/56/13/617425613.db2.gz KCMVPJIRRNEPAZ-WMJNEWNKSA-N 2 0 288.439 1.554 10 0 CDAERP CC(C)n1cc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)nn1 ZINC000926667319 617427243 /nfs/dbraw/zinc/42/72/43/617427243.db2.gz YREUIBZHTOQPBQ-RWMBFGLXSA-N 2 0 265.405 1.850 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]CCCOC[C@@H]2CCOC2)C12CCC2 ZINC000925520064 617431263 /nfs/dbraw/zinc/43/12/63/617431263.db2.gz DWPHVUTXBDAZBI-MJBXVCDLSA-N 2 0 268.401 1.289 10 0 CDAERP [NH3+][C@H]1C[C@H]([NH2+]CCc2cn3ccccc3n2)C12CCC2 ZINC000925535609 617469582 /nfs/dbraw/zinc/46/95/82/617469582.db2.gz HSIKEYRTTKKXIZ-KBPBESRZSA-N 2 0 270.380 1.736 10 0 CDAERP CC[C@H](CCO)C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925539495 617478883 /nfs/dbraw/zinc/47/88/83/617478883.db2.gz JGOAWBGNEDZSBN-MQYQWHSLSA-N 2 0 254.418 1.761 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925540957 617481782 /nfs/dbraw/zinc/48/17/82/617481782.db2.gz JLARFHRUOYDTKW-RBSFLKMASA-N 3 0 285.476 1.839 10 0 CDAERP C[C@@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1cccc(C[NH+](C)C)c1 ZINC000926755513 617516647 /nfs/dbraw/zinc/51/66/47/617516647.db2.gz PGIVBQVNMXLMJI-KCPJHIHWSA-N 2 0 275.396 1.663 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCC(=O)Nc2ccccn2)C1 ZINC000925597970 617541682 /nfs/dbraw/zinc/54/16/82/617541682.db2.gz RRBFQCBMFXBUQN-QWHCGFSZSA-N 2 0 290.411 1.906 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCSCCCO)C1 ZINC000925608031 617550154 /nfs/dbraw/zinc/55/01/54/617550154.db2.gz DYCAMXNZYNJNNL-NWDGAFQWSA-N 2 0 260.447 1.598 10 0 CDAERP CC[C@](C)(O)C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925608558 617553119 /nfs/dbraw/zinc/55/31/19/617553119.db2.gz FCXMAYUVVVGVHK-ZNMIVQPWSA-N 2 0 254.418 1.905 10 0 CDAERP CCO[C@H](CN[C@@H](C)C[C@@H]1CCCCC[NH2+]1)C[NH+](C)C ZINC000925843097 617874910 /nfs/dbraw/zinc/87/49/10/617874910.db2.gz ZFCQCPRJSCHMAZ-HRCADAONSA-N 2 0 285.476 1.854 10 0 CDAERP Cc1ccc([C@@H](O)CN2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)cc1 ZINC000933740996 617604558 /nfs/dbraw/zinc/60/45/58/617604558.db2.gz YVYLHSZPMLAJAW-IKGGRYGDSA-N 2 0 274.408 1.912 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)N[C@@H]1CC[NH2+]C12CCC2 ZINC000925676633 617642024 /nfs/dbraw/zinc/64/20/24/617642024.db2.gz OEMLQGYFGQVJJA-UONOGXRCSA-N 2 0 253.434 1.981 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000925691453 617693572 /nfs/dbraw/zinc/69/35/72/617693572.db2.gz NEAKDZDOAHOMFL-ZQDZILKHSA-N 2 0 281.444 1.345 10 0 CDAERP CC[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1nccn1C ZINC000925799460 617730393 /nfs/dbraw/zinc/73/03/93/617730393.db2.gz VCCRKGOUNVUFSB-JHJVBQTASA-N 2 0 250.390 1.706 10 0 CDAERP C[C@@H]1C[C@@H](N[C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC[NH2+]1 ZINC000925701237 617750388 /nfs/dbraw/zinc/75/03/88/617750388.db2.gz WAPISIRXTPHAAU-XHJNMGKDSA-N 2 0 251.418 1.493 10 0 CDAERP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccccc1N(C)C ZINC000925815609 617768738 /nfs/dbraw/zinc/76/87/38/617768738.db2.gz SEIJQXSOYFPIER-CQSZACIVSA-N 2 0 290.455 1.826 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@H]2CC[C@@H]2C2CCC2)CC1 ZINC000925816915 617772128 /nfs/dbraw/zinc/77/21/28/617772128.db2.gz LNULJGRXEUXVSV-CABCVRRESA-N 2 0 251.418 1.578 10 0 CDAERP CCn1nncc1C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925720709 617844541 /nfs/dbraw/zinc/84/45/41/617844541.db2.gz HSUWLUPXQZXPNX-MNOVXSKESA-N 2 0 251.378 1.294 10 0 CDAERP CC1(C)[C@H]([NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925829404 617847144 /nfs/dbraw/zinc/84/71/44/617847144.db2.gz CWOQHEPPNIZSFC-XBORSJSESA-N 2 0 276.424 1.944 10 0 CDAERP C[C@H]([NH2+]C[C@H]1CCC[C@H](C(F)(F)F)O1)C1C[NH2+]C1 ZINC000925831287 617851804 /nfs/dbraw/zinc/85/18/04/617851804.db2.gz DCDWGGQTRTWKRK-JMJZKYOTSA-N 2 0 266.307 1.684 10 0 CDAERP C([NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000925832389 617854447 /nfs/dbraw/zinc/85/44/47/617854447.db2.gz PCNJIRPGETVBMK-NRKLIOEPSA-N 2 0 294.439 1.548 10 0 CDAERP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925844676 617877466 /nfs/dbraw/zinc/87/74/66/617877466.db2.gz ZRANTVKSOPUMRE-SQWLQELKSA-N 2 0 281.444 1.755 10 0 CDAERP C(CC[NH2+][C@H]1CCC12CCC2)CCN1CC[NH2+]CC1 ZINC000925845352 617879767 /nfs/dbraw/zinc/87/97/67/617879767.db2.gz GKRIISXMVNUQPK-HNNXBMFYSA-N 2 0 265.445 1.984 10 0 CDAERP COCC[C@@H]1CCC[C@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925845720 617880516 /nfs/dbraw/zinc/88/05/16/617880516.db2.gz IEHHODWTTGPNAR-DLBZAZTESA-N 2 0 297.487 1.857 10 0 CDAERP CC(C)C[C@H](C)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925850918 617886809 /nfs/dbraw/zinc/88/68/09/617886809.db2.gz ABYJIZDKLZPPNI-STQMWFEESA-N 2 0 268.401 1.696 10 0 CDAERP C[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@@H]([NH2+]2)[C@@H]1C)C1CC[NH2+]CC1 ZINC000925726942 617969361 /nfs/dbraw/zinc/96/93/61/617969361.db2.gz ARPHPXBGJWZKDJ-WPTOEGHWSA-N 3 0 251.418 1.493 10 0 CDAERP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccnnc1 ZINC000924964733 618468345 /nfs/dbraw/zinc/46/83/45/618468345.db2.gz CKJQAWFJKDAHLC-AWEZNQCLSA-N 2 0 277.416 1.155 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1cc(O)cc(F)c1 ZINC000924995629 618571275 /nfs/dbraw/zinc/57/12/75/618571275.db2.gz ZIPWWFURYPKSDE-CHWSQXEVSA-N 2 0 295.402 1.818 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CCc3cc(Cl)nnc3C2)CC[NH2+]1 ZINC000843130106 618694172 /nfs/dbraw/zinc/69/41/72/618694172.db2.gz XHOZBGWDMAMADY-GHMZBOCLSA-N 2 0 280.803 1.876 10 0 CDAERP CC(C)[N@H+](C)CCN[C@H]1CCC[NH+]2CCCC[C@H]12 ZINC000924904321 618738298 /nfs/dbraw/zinc/73/82/98/618738298.db2.gz QBOUXSZECMJOPA-LSDHHAIUSA-N 2 0 253.434 1.933 10 0 CDAERP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccns1 ZINC000925040111 618825261 /nfs/dbraw/zinc/82/52/61/618825261.db2.gz GXXFIZDGGZKBJW-OLZOCXBDSA-N 2 0 294.468 1.962 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](CC)CC ZINC000928447638 619095757 /nfs/dbraw/zinc/09/57/57/619095757.db2.gz KZIFQCRTDMIMBA-JHJVBQTASA-N 2 0 255.406 1.316 10 0 CDAERP CC[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cccc(OC)n1 ZINC000925118703 619372154 /nfs/dbraw/zinc/37/21/54/619372154.db2.gz ULUSVMCVCNOSRU-ZDUSSCGKSA-N 2 0 293.411 1.588 10 0 CDAERP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@@]12CC[NH+](C1)CCC2 ZINC000895696922 619808629 /nfs/dbraw/zinc/80/86/29/619808629.db2.gz IVEBRGLYEFEZLD-BBRMVZONSA-N 2 0 277.412 1.073 10 0 CDAERP Cc1cc(C)cc(-n2ncc(C[NH2+]CC[C@H]3CC[NH2+]C3)n2)c1 ZINC000841037090 621259482 /nfs/dbraw/zinc/25/94/82/621259482.db2.gz SESGVQQNDCYFPL-OAHLLOKOSA-N 2 0 299.422 1.973 10 0 CDAERP C[NH+](C)CCN1CCC([NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)CC1 ZINC000924633745 621614259 /nfs/dbraw/zinc/61/42/59/621614259.db2.gz SLPYOUUOLFDSRR-UXLLHSPISA-N 2 0 277.456 1.957 10 0 CDAERP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CC([NH+]2CCCC2)C1 ZINC000898608500 621817114 /nfs/dbraw/zinc/81/71/14/621817114.db2.gz WHGCTHFRKSOMAP-MRXNPFEDSA-N 2 0 291.439 1.700 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@@H]([NH+](C)C)C23CCC3)CC[N@@H+]1C ZINC000898830488 621890465 /nfs/dbraw/zinc/89/04/65/621890465.db2.gz FOAUEJBHVRAMCS-ZQDZILKHSA-N 2 0 293.455 1.706 10 0 CDAERP C[C@@H](NC(=[NH2+])NC[C@@H]1CCCC[N@@H+]1C1CC1)C1CC1 ZINC000899271592 622136196 /nfs/dbraw/zinc/13/61/96/622136196.db2.gz HIGSCZYXQJGMES-RISCZKNCSA-N 2 0 264.417 1.916 10 0 CDAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902461240 624851459 /nfs/dbraw/zinc/85/14/59/624851459.db2.gz MXUCVXJVEVLBER-FXFNVNKWSA-N 2 0 299.418 1.725 10 0 CDAERP C([NH2+][C@H]1CCO[C@]12CCOC2)C1CC[NH+](C2CC2)CC1 ZINC000903158948 625871051 /nfs/dbraw/zinc/87/10/51/625871051.db2.gz DNNLIVCYDRSRCJ-HOTGVXAUSA-N 2 0 280.412 1.398 10 0 CDAERP CCN(CC)C(=O)N1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903431013 625989895 /nfs/dbraw/zinc/98/98/95/625989895.db2.gz CVEYPEIUZIXVGB-KGLIPLIRSA-N 2 0 282.432 1.193 10 0 CDAERP Cc1noc([C@H]2CCC[N@@H+](C[C@@H]3C[NH2+]C[C@H]3C)C2)n1 ZINC000903433057 625990744 /nfs/dbraw/zinc/99/07/44/625990744.db2.gz SKWANJLQPYIUIM-WXHSDQCUSA-N 2 0 264.373 1.413 10 0 CDAERP CC[C@H]1C[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)[C@@H](CC)CN1C(C)=O ZINC000903440137 625992759 /nfs/dbraw/zinc/99/27/59/625992759.db2.gz UMDLIFYUNBNWML-OEAJRASXSA-N 2 0 281.444 1.563 10 0 CDAERP Cn1c(Cl)cnc1C[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903457596 625993791 /nfs/dbraw/zinc/99/37/91/625993791.db2.gz XRLYZZJMVQYFQM-ZJUUUORDSA-N 2 0 256.781 1.633 10 0 CDAERP [NH3+]CC1(O)CC[NH+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CC1 ZINC000903459360 625995003 /nfs/dbraw/zinc/99/50/03/625995003.db2.gz HLBPTBMNOYEMMT-JGPRNRPPSA-N 2 0 260.328 1.063 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000903461863 625996224 /nfs/dbraw/zinc/99/62/24/625996224.db2.gz YXHBOZZKGYYBDH-CBBWQLFWSA-N 2 0 252.402 1.733 10 0 CDAERP Cn1nccc1[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903441730 625996596 /nfs/dbraw/zinc/99/65/96/625996596.db2.gz AFUPDCXGKLHRAJ-MCIONIFRSA-N 2 0 262.401 1.727 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@@H](C[NH3+])[C@H]1C(F)(F)F ZINC000903473935 626004766 /nfs/dbraw/zinc/00/47/66/626004766.db2.gz CDYKYFHMQVOZAL-RHYQMDGZSA-N 2 0 279.350 1.444 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)Nc2cc(F)cc(F)c2)C[C@H]1CC[NH3+] ZINC000903496432 626011994 /nfs/dbraw/zinc/01/19/94/626011994.db2.gz NMHQZOQIWLBECK-GHMZBOCLSA-N 2 0 297.349 1.820 10 0 CDAERP C[C@@]1([C@@H]2CCC[N@H+](CCC3CC[NH2+]CC3)C2)COC(=O)N1 ZINC000903561929 626019893 /nfs/dbraw/zinc/01/98/93/626019893.db2.gz RIKSJVKOOYIDRI-ZBFHGGJFSA-N 2 0 295.427 1.587 10 0 CDAERP c1ccc(OCCN2CC[NH2+]CCC23CCOCC3)cc1 ZINC000903815714 626095599 /nfs/dbraw/zinc/09/55/99/626095599.db2.gz QMPSJIFBEYFBLF-UHFFFAOYSA-N 2 0 290.407 1.910 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903872865 626127208 /nfs/dbraw/zinc/12/72/08/626127208.db2.gz KOYRYMUFMKVADE-CYBMUJFWSA-N 2 0 252.406 1.578 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@H+](C)C2CCC([NH3+])CC2)cnn1C ZINC000903874302 626128149 /nfs/dbraw/zinc/12/81/49/626128149.db2.gz XOTOJPKWGCYSQS-IUDNXUCKSA-N 3 0 293.459 1.048 10 0 CDAERP Cc1c(C[C@H](C[NH3+])CN2CCCC[C@@H]2[C@H](C)[NH3+])cnn1C ZINC000903874324 626128215 /nfs/dbraw/zinc/12/82/15/626128215.db2.gz YAVFFDUOUPFXEC-JGGQBBKZSA-N 2 0 293.459 1.048 10 0 CDAERP CO[C@@H]1CC[C@@H]2OCC[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@H]2C1 ZINC000903898439 626137620 /nfs/dbraw/zinc/13/76/20/626137620.db2.gz MANXUMPHXVFIBY-NCHGBYHQSA-N 2 0 294.439 1.785 10 0 CDAERP OC[C@@H](Cc1ccccc1)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903926694 626149434 /nfs/dbraw/zinc/14/94/34/626149434.db2.gz NUERNIATSVOGOJ-NPYXIHBLSA-N 2 0 274.408 1.710 10 0 CDAERP COC(=O)[C@@H]1CSCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903929794 626150475 /nfs/dbraw/zinc/15/04/75/626150475.db2.gz LTGQTBLVUQOJRD-PBNFFQIGSA-N 2 0 298.452 1.355 10 0 CDAERP FC1(F)CC[NH2+]C[C@H]1C[NH2+][C@H]1CCCSC1 ZINC000903957008 626157376 /nfs/dbraw/zinc/15/73/76/626157376.db2.gz OWIJLEZEJKGQEB-UWVGGRQHSA-N 2 0 250.358 1.716 10 0 CDAERP COC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CCCOC1 ZINC000903959678 626159382 /nfs/dbraw/zinc/15/93/82/626159382.db2.gz MGWWIISSRGZWJD-SYQHCUMBSA-N 2 0 256.390 1.288 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CC[C@@H](CF)C2)cnn1C ZINC000903940043 626161418 /nfs/dbraw/zinc/16/14/18/626161418.db2.gz UEBLEJFECOJTGO-STQMWFEESA-N 2 0 268.380 1.137 10 0 CDAERP C[C@@]1(C[NH+]2CCC([C@]3(C)COC(=O)N3)CC2)CC[NH2+]C1 ZINC000903985919 626174063 /nfs/dbraw/zinc/17/40/63/626174063.db2.gz CUFKXTXABLVHES-CABCVRRESA-N 2 0 281.400 1.197 10 0 CDAERP c1[nH+]cn2ccc(-c3noc([C@H]4C[C@H]5CC[C@@H]4[NH2+]5)n3)cc12 ZINC000904709019 626337827 /nfs/dbraw/zinc/33/78/27/626337827.db2.gz QVZCFBJCKVLIMZ-WXHSDQCUSA-N 2 0 281.319 1.992 10 0 CDAERP C[C@@H]1CC[N@H+](CCNC(=[NH2+])NC[C@@H]2CCCS2)C1 ZINC000905042910 626382246 /nfs/dbraw/zinc/38/22/46/626382246.db2.gz ROGAUSNCTVDBME-NEPJUHHUSA-N 2 0 270.446 1.338 10 0 CDAERP CCN1CCC([N@H+](C)C[C@H](O)C2(O)CCCC2)CC1 ZINC000905938901 627052302 /nfs/dbraw/zinc/05/23/02/627052302.db2.gz XIDJRFDIBDWISZ-AWEZNQCLSA-N 2 0 270.417 1.069 10 0 CDAERP CC1=CC[N@H+](CCNC(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC000907387195 627633575 /nfs/dbraw/zinc/63/35/75/627633575.db2.gz ZVQBOWRWTVEVTB-HOTGVXAUSA-N 2 0 291.439 1.772 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000907874385 627891258 /nfs/dbraw/zinc/89/12/58/627891258.db2.gz GQHNCVLPOCSCLN-QLFBSQMISA-N 2 0 281.444 1.850 10 0 CDAERP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C12CC[NH+](CC1)C2 ZINC000912521678 630057128 /nfs/dbraw/zinc/05/71/28/630057128.db2.gz FEHIVRGBIUIUKP-CQSZACIVSA-N 2 0 279.428 1.319 10 0 CDAERP C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)Cn1ccnc1 ZINC000912650494 630127278 /nfs/dbraw/zinc/12/72/78/630127278.db2.gz MQKZBBRVURYFBN-UONOGXRCSA-N 2 0 278.400 1.604 10 0 CDAERP C[C@@H](C(=O)N1CC[C@H]([NH+]2CCC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000912917907 630287048 /nfs/dbraw/zinc/28/70/48/630287048.db2.gz PSMJYAYJUMTUBT-XGUBFFRZSA-N 2 0 279.428 1.554 10 0 CDAERP CC[NH+](CC)C[C@@H]1CC[N@H+](CCCCCNC(C)=O)C1 ZINC000929747558 630725799 /nfs/dbraw/zinc/72/57/99/630725799.db2.gz FUDHUSLKCJUSEV-INIZCTEOSA-N 2 0 283.460 1.957 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000914336694 631358383 /nfs/dbraw/zinc/35/83/83/631358383.db2.gz CLWDNQNGXODSKP-MGPQQGTHSA-N 2 0 282.432 1.110 10 0 CDAERP CC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@H]1CC ZINC001670594599 1158654605 /nfs/dbraw/zinc/65/46/05/1158654605.db2.gz CMXDFMOTUDWXCK-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)=CCN1CC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001670651725 1158674795 /nfs/dbraw/zinc/67/47/95/1158674795.db2.gz XNLSRDLGDAIRLI-OAHLLOKOSA-N 2 0 279.428 1.627 10 0 CDAERP CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)C(C)C ZINC001691075225 1158892295 /nfs/dbraw/zinc/89/22/95/1158892295.db2.gz QBTIWLCAAPPKDY-ZDUSSCGKSA-N 2 0 255.406 1.269 10 0 CDAERP CC[C@H](C(=O)NCC[N@H+](C)CC=C(C)C)[NH+](C)C ZINC001690988503 1158515905 /nfs/dbraw/zinc/51/59/05/1158515905.db2.gz IZWAYZCSSFYXJB-CYBMUJFWSA-N 2 0 255.406 1.341 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001266685554 1158761275 /nfs/dbraw/zinc/76/12/75/1158761275.db2.gz HXLWEOCQBRBCID-XHSDSOJGSA-N 2 0 293.455 1.755 10 0 CDAERP CN(C(=O)C[C@@H]([NH3+])C(C)(C)C)[C@H]1C[NH+]2CCC1CC2 ZINC000394119142 1159537749 /nfs/dbraw/zinc/53/77/49/1159537749.db2.gz VDPGJOLWCAFTCN-QWHCGFSZSA-N 2 0 267.417 1.303 10 0 CDAERP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C[C@H]1CC[C@@H](C2CC2)O1 ZINC000722315094 1159722704 /nfs/dbraw/zinc/72/27/04/1159722704.db2.gz MNMPRMNQINREQI-RDBSUJKOSA-N 2 0 252.402 1.922 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCCF)CCCC1 ZINC001482223073 1160061409 /nfs/dbraw/zinc/06/14/09/1160061409.db2.gz PHSPLXHVCCLVSM-CQSZACIVSA-N 2 0 299.434 1.849 10 0 CDAERP CC(C)C[NH2+]C[C@H](CC(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001482396110 1160201482 /nfs/dbraw/zinc/20/14/82/1160201482.db2.gz IRKKVQPGQOABNF-HNNXBMFYSA-N 2 0 295.471 1.859 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001483602893 1160954871 /nfs/dbraw/zinc/95/48/71/1160954871.db2.gz WNTRQAYSGAOSBQ-KBPBESRZSA-N 2 0 297.418 1.315 10 0 CDAERP CCCCCC[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001673898519 1161405227 /nfs/dbraw/zinc/40/52/27/1161405227.db2.gz QXGZAFYGOPZQTP-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccccc1F ZINC001771780883 1161958853 /nfs/dbraw/zinc/95/88/53/1161958853.db2.gz HUWFLGOKUXBBFV-INIZCTEOSA-N 2 0 293.386 1.544 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC)[C@@H]2C1 ZINC001410927753 1161964278 /nfs/dbraw/zinc/96/42/78/1161964278.db2.gz PHWIQEOEEKOYJU-ARFHVFGLSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H]1CC[C@H]([NH2+]CC2([NH3+])CCOCC2)[C@H](n2cncn2)C1 ZINC001646049189 1167622478 /nfs/dbraw/zinc/62/24/78/1167622478.db2.gz WZRKMEDMDLMPDE-HZSPNIEDSA-N 2 0 293.415 1.105 10 0 CDAERP C[C@H]([NH3+])CN1C[C@H](C[C@@H]2COCC[NH2+]2)c2ccccc21 ZINC001646280825 1167742411 /nfs/dbraw/zinc/74/24/11/1167742411.db2.gz ZJIFIJPLXNWEIZ-MELADBBJSA-N 2 0 275.396 1.316 10 0 CDAERP CC(C)[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001568369384 1168109778 /nfs/dbraw/zinc/10/97/78/1168109778.db2.gz JWUPMHONXKFJJL-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCCF ZINC001568139741 1169146370 /nfs/dbraw/zinc/14/63/70/1169146370.db2.gz WTWVQTVWPLTSBR-HUUCEWRRSA-N 2 0 299.434 1.801 10 0 CDAERP OCC1([NH2+]CC2CC2)CC[NH+](CC2CCC(O)CC2)CC1 ZINC001649886300 1169467186 /nfs/dbraw/zinc/46/71/86/1169467186.db2.gz KZONWFFVRJAIJP-UHFFFAOYSA-N 2 0 296.455 1.364 10 0 CDAERP CC[NH+](CC)C1CCN(C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001649926897 1169506498 /nfs/dbraw/zinc/50/64/98/1169506498.db2.gz RNDGBAGUOHAKAL-ZIAGYGMSSA-N 2 0 296.459 1.643 10 0 CDAERP CC(C)=CC[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001570363566 1170143065 /nfs/dbraw/zinc/14/30/65/1170143065.db2.gz DCMDQYZYKMEXGI-GJZGRUSLSA-N 2 0 279.428 1.485 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]C[C@@H](C)CC)C1 ZINC001661499267 1172398860 /nfs/dbraw/zinc/39/88/60/1172398860.db2.gz UBCPFISWRGWVEV-IHRRRGAJSA-N 2 0 269.433 1.611 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)[NH2+]C/C=C\Cl)[NH+](C)C ZINC001662255097 1172518469 /nfs/dbraw/zinc/51/84/69/1172518469.db2.gz DXQUUAPBUNAPDS-GYHQZXBOSA-N 2 0 261.797 1.173 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+]CC=C(C)C ZINC001662378139 1172538704 /nfs/dbraw/zinc/53/87/04/1172538704.db2.gz SVRKISTWKHHFHE-ZDUSSCGKSA-N 2 0 255.406 1.389 10 0 CDAERP CCC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)CC1 ZINC001673406791 1172596388 /nfs/dbraw/zinc/59/63/88/1172596388.db2.gz JJKIJYAIOOZOSG-AWEZNQCLSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001669751254 1173593854 /nfs/dbraw/zinc/59/38/54/1173593854.db2.gz ZBZLOFUGPHJIGT-HNNXBMFYSA-N 2 0 281.444 1.923 10 0 CDAERP CC(C)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001674775469 1174008768 /nfs/dbraw/zinc/00/87/68/1174008768.db2.gz VZGNYAUTZAINSZ-QWHCGFSZSA-N 2 0 255.406 1.221 10 0 CDAERP C[C@H](CCC[NH2+]CCO)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001675986270 1174171411 /nfs/dbraw/zinc/17/14/11/1174171411.db2.gz PMSHIMGOCPGFQH-CABCVRRESA-N 2 0 299.459 1.118 10 0 CDAERP CC(C)[NH2+][C@@H](C)CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001676365435 1174215339 /nfs/dbraw/zinc/21/53/39/1174215339.db2.gz XMLRMSUKAMYKTR-UONOGXRCSA-N 2 0 269.433 1.706 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCC(C)(C)C)C1 ZINC001690701898 1175549279 /nfs/dbraw/zinc/54/92/79/1175549279.db2.gz RQXWJKGUGKMXER-CABCVRRESA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](C[NH2+]CCF)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001698862257 1175968589 /nfs/dbraw/zinc/96/85/89/1175968589.db2.gz XHKICVHDLOZOGD-ZDUSSCGKSA-N 2 0 273.396 1.268 10 0 CDAERP C[C@H](CC[NH2+]CCF)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001699110320 1176096869 /nfs/dbraw/zinc/09/68/69/1176096869.db2.gz PTBYFECFOVZNFM-OLZOCXBDSA-N 2 0 273.396 1.315 10 0 CDAERP CCN(CC[NH2+]Cc1ccns1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001699172718 1176125584 /nfs/dbraw/zinc/12/55/84/1176125584.db2.gz MLGUEQNUQMRJCQ-ZDUSSCGKSA-N 2 0 296.440 1.175 10 0 CDAERP COCC[NH2+]C/C=C/CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001699327152 1176240553 /nfs/dbraw/zinc/24/05/53/1176240553.db2.gz DVJLKKDGYCCOOI-SNAWJCMRSA-N 2 0 297.443 1.015 10 0 CDAERP C[C@@H](C[NH2+]C/C=C\Cl)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001699421913 1176386149 /nfs/dbraw/zinc/38/61/49/1176386149.db2.gz CWKWKMMZKPROBZ-MEPZIYLKSA-N 2 0 273.808 1.175 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001699423122 1176388505 /nfs/dbraw/zinc/38/85/05/1176388505.db2.gz JBSSJYFAOHOPFM-STQMWFEESA-N 2 0 287.423 1.561 10 0 CDAERP CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1CCC(C)C)[NH+](C)C ZINC001699637138 1176534388 /nfs/dbraw/zinc/53/43/88/1176534388.db2.gz BWSUMLBCBYXQDN-KBPBESRZSA-N 2 0 269.433 1.563 10 0 CDAERP CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001700468315 1176957701 /nfs/dbraw/zinc/95/77/01/1176957701.db2.gz YRJGYKZRQXMNQH-KGLIPLIRSA-N 2 0 269.433 1.563 10 0 CDAERP CCCCC[N@H+](C)[C@@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001700482983 1176973367 /nfs/dbraw/zinc/97/33/67/1176973367.db2.gz JDFSUFKLVQERIC-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001700639482 1177049056 /nfs/dbraw/zinc/04/90/56/1177049056.db2.gz HPVBVQCVDZMJGR-YDHLFZDLSA-N 2 0 299.434 1.561 10 0 CDAERP CC[N@H+](C)CCOCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001700701111 1177081950 /nfs/dbraw/zinc/08/19/50/1177081950.db2.gz IGKRDYNTQMPBDJ-UHFFFAOYSA-N 2 0 299.459 1.335 10 0 CDAERP CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@H+](C)C(C)C ZINC001700738010 1177102439 /nfs/dbraw/zinc/10/24/39/1177102439.db2.gz SMFUDBMZNAKPDR-CYBMUJFWSA-N 2 0 255.406 1.173 10 0 CDAERP C[C@@H](F)CC[NH2+][C@@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001700767282 1177121277 /nfs/dbraw/zinc/12/12/77/1177121277.db2.gz KUIYXKJQBBVUDV-NEPJUHHUSA-N 2 0 261.385 1.123 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001700766703 1177122125 /nfs/dbraw/zinc/12/21/25/1177122125.db2.gz HSOOAJDBGKNSEQ-ZDUSSCGKSA-N 2 0 255.406 1.341 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001707383908 1178007252 /nfs/dbraw/zinc/00/72/52/1178007252.db2.gz YVZYNKRCOSIVFV-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@H](F)C[N@H+](C)CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001707419530 1178030834 /nfs/dbraw/zinc/03/08/34/1178030834.db2.gz XFMKPGIXANPEJU-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(Cl)nc1 ZINC001713335686 1178504735 /nfs/dbraw/zinc/50/47/35/1178504735.db2.gz TWCNHUYDDJKLRH-NSHDSACASA-N 2 0 298.818 1.281 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CCCF)C1 ZINC001713366140 1178521948 /nfs/dbraw/zinc/52/19/48/1178521948.db2.gz WWYFYPYRWDZDFE-LSDHHAIUSA-N 2 0 299.434 1.659 10 0 CDAERP CCC(CC)C[N@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001713477674 1178594148 /nfs/dbraw/zinc/59/41/48/1178594148.db2.gz ZMMGZMOTYOQEGZ-UHFFFAOYSA-N 2 0 269.433 1.566 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC([C@@H](C)[NH2+]CCOC)CC1 ZINC001713683569 1178708059 /nfs/dbraw/zinc/70/80/59/1178708059.db2.gz ZSFNBHGAWUVWEH-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)CCC[NH+]1CC(NC(=O)CC[NH+](C)C)C1 ZINC001713836039 1178785875 /nfs/dbraw/zinc/78/58/75/1178785875.db2.gz OXVXPMGKILTPJH-UHFFFAOYSA-N 2 0 255.406 1.175 10 0 CDAERP CC[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]CCCF ZINC001714106621 1178976497 /nfs/dbraw/zinc/97/64/97/1178976497.db2.gz LINUOUKUUOQTBS-CQSZACIVSA-N 2 0 287.423 1.562 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CCC[C@H](CC[NH2+]CCCF)C1 ZINC001714238014 1179039298 /nfs/dbraw/zinc/03/92/98/1179039298.db2.gz ABJJKEYWSMCYRH-OAHLLOKOSA-N 2 0 299.434 1.660 10 0 CDAERP CC(C)OCC[NH2+][C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001714260861 1179052055 /nfs/dbraw/zinc/05/20/55/1179052055.db2.gz CCJCELSKAMYYGA-CQSZACIVSA-N 2 0 299.459 1.380 10 0 CDAERP C[C@@H](C[NH2+]CCCCCF)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001714718781 1179356196 /nfs/dbraw/zinc/35/61/96/1179356196.db2.gz MLHUVTLZMQZUQU-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)NCC1C[NH+](CC=C(C)C)C1 ZINC001714966840 1179483202 /nfs/dbraw/zinc/48/32/02/1179483202.db2.gz KAVZEDOOEANKJR-HNNXBMFYSA-N 2 0 299.434 1.681 10 0 CDAERP CCC[NH2+]CC[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001715152757 1179565429 /nfs/dbraw/zinc/56/54/29/1179565429.db2.gz OJPUQHPXCUKUID-OAHLLOKOSA-N 2 0 283.460 1.957 10 0 CDAERP COCC[NH2+][C@@H](CNC(=O)CC1CC[NH+](C)CC1)C(C)C ZINC001715660085 1179755431 /nfs/dbraw/zinc/75/54/31/1179755431.db2.gz LCOCNEUMVWZKFM-HNNXBMFYSA-N 2 0 299.459 1.095 10 0 CDAERP O=C(NC/C=C/C[NH2+]CC1CCCC1)C12CC[NH+](CC1)C2 ZINC001715893289 1179901742 /nfs/dbraw/zinc/90/17/42/1179901742.db2.gz NIFOLFWYGNKFRE-ONEGZZNKSA-N 2 0 291.439 1.534 10 0 CDAERP CCCCC[NH2+]C[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001716460150 1180223730 /nfs/dbraw/zinc/22/37/30/1180223730.db2.gz CSOGLQNZRMRGFA-UONOGXRCSA-N 2 0 269.433 1.613 10 0 CDAERP CCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1CC ZINC001716507175 1180260620 /nfs/dbraw/zinc/26/06/20/1180260620.db2.gz BDWCJCIYUOTSFG-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@](CO)(NC(=O)CCCC[NH+](C)C)C1 ZINC001717028610 1180508480 /nfs/dbraw/zinc/50/84/80/1180508480.db2.gz WZFDRKGKMSEGAB-MRXNPFEDSA-N 2 0 299.459 1.070 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC(CC)([NH2+]CCOC)CC1 ZINC001717241380 1180587241 /nfs/dbraw/zinc/58/72/41/1180587241.db2.gz JGVBLAGOEBVHCU-UHFFFAOYSA-N 2 0 299.459 1.335 10 0 CDAERP CCCCC[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001717901350 1180919434 /nfs/dbraw/zinc/91/94/34/1180919434.db2.gz YPJUOMJTZJTDIH-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H](F)CC[N@H+]1CC=C(CNC(=O)CC[NH+](C)C)CC1 ZINC001718027769 1180975065 /nfs/dbraw/zinc/97/50/65/1180975065.db2.gz VVHXSABCDXLYKR-ZDUSSCGKSA-N 2 0 285.407 1.435 10 0 CDAERP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]CC1CCC1 ZINC001725106914 1181864891 /nfs/dbraw/zinc/86/48/91/1181864891.db2.gz KDMIUOMGXRVWFW-RYUDHWBXSA-N 2 0 255.406 1.221 10 0 CDAERP CC(C)[N@H+](C)CCOCCNC(=O)CC1CC[NH+](C)CC1 ZINC001725438435 1182000915 /nfs/dbraw/zinc/00/09/15/1182000915.db2.gz XTXBRLJLXSBLRW-UHFFFAOYSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)CC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001725570714 1182053662 /nfs/dbraw/zinc/05/36/62/1182053662.db2.gz XGPWQUZDSNBOSD-KGLIPLIRSA-N 2 0 269.433 1.563 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC1 ZINC000262315973 1182215100 /nfs/dbraw/zinc/21/51/00/1182215100.db2.gz CETSHUZNYAKNSK-WMLDXEAASA-N 2 0 293.455 1.757 10 0 CDAERP CC1CC[NH+](CC(=O)NCCC[N@H+](C)CC2CCC2)CC1 ZINC001731274862 1182291157 /nfs/dbraw/zinc/29/11/57/1182291157.db2.gz OSYJWSRHSRMOJV-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CCCCC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001731410281 1182370722 /nfs/dbraw/zinc/37/07/22/1182370722.db2.gz DNZKKUNSQJRAHC-GJZGRUSLSA-N 2 0 281.444 1.613 10 0 CDAERP CC[NH2+][C@H](C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001731740346 1182542214 /nfs/dbraw/zinc/54/22/14/1182542214.db2.gz QWRHQGMBICPYKV-ZIAGYGMSSA-N 2 0 269.433 1.611 10 0 CDAERP CN(CC[NH2+]CCC1CC1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001731922003 1182679367 /nfs/dbraw/zinc/67/93/67/1182679367.db2.gz LOTFDDUXDLFQKF-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+]CC1=CCCCC1 ZINC001732358658 1182924709 /nfs/dbraw/zinc/92/47/09/1182924709.db2.gz ULKAPIDETOTUNP-AWEZNQCLSA-N 2 0 281.444 1.780 10 0 CDAERP CCN(CC[NH2+]CC=C(C)C)C(=O)C1([NH+](C)C)CCC1 ZINC001732779660 1183123485 /nfs/dbraw/zinc/12/34/85/1183123485.db2.gz UEOVDQMUMAFUQG-UHFFFAOYSA-N 2 0 281.444 1.875 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)C[NH2+]CC)C1 ZINC001733010337 1183236424 /nfs/dbraw/zinc/23/64/24/1183236424.db2.gz VMGNBFSJMRSVQN-QWHCGFSZSA-N 2 0 255.406 1.223 10 0 CDAERP C[NH+](C)CCCC(=O)N1CC[C@](C)(C[NH2+]CCF)C1 ZINC001733436009 1183432579 /nfs/dbraw/zinc/43/25/79/1183432579.db2.gz WNYTZAYVCRSGAV-CQSZACIVSA-N 2 0 273.396 1.126 10 0 CDAERP CCOCCC[NH2+][C@@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001733991535 1183604765 /nfs/dbraw/zinc/60/47/65/1183604765.db2.gz SNHSFPRFIOUTML-KBPBESRZSA-N 2 0 299.459 1.238 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@H](C)[NH2+]CC)C1 ZINC001734339425 1183738562 /nfs/dbraw/zinc/73/85/62/1183738562.db2.gz NHODAFAAJOBRCG-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001734483880 1183795963 /nfs/dbraw/zinc/79/59/63/1183795963.db2.gz XEVMDZHKHMMMNC-KBPBESRZSA-N 2 0 269.433 1.613 10 0 CDAERP CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC001734503419 1183802296 /nfs/dbraw/zinc/80/22/96/1183802296.db2.gz AIAAHRDLSQOVQX-ZIAGYGMSSA-N 2 0 281.444 1.565 10 0 CDAERP CC[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2CC[NH3+])C1 ZINC001771764762 1186865314 /nfs/dbraw/zinc/86/53/14/1186865314.db2.gz SBTWNCRZDFZTKT-CQSZACIVSA-N 2 0 289.423 1.650 10 0 CDAERP CC(C)[C@H](CNC(=[NH2+])N[C@@H]1C[C@@H]1C)[NH+]1CCCC1 ZINC000864450338 1164543714 /nfs/dbraw/zinc/54/37/14/1164543714.db2.gz KWJOPLPBMSLRPZ-XQQFMLRXSA-N 2 0 252.406 1.629 10 0 CDAERP CC[C@@H]1CCN(C(=[NH2+])NCCC[NH+]2CCC(O)CC2)C1 ZINC000864452230 1164544730 /nfs/dbraw/zinc/54/47/30/1164544730.db2.gz LXOIOVXRQKZTEK-CYBMUJFWSA-N 2 0 282.432 1.089 10 0 CDAERP C[NH+](C)C[C@@H]1CN(C(=O)/C=C/C(C)(C)C)C[C@H]1C[NH+](C)C ZINC000870022528 1165133436 /nfs/dbraw/zinc/13/34/36/1165133436.db2.gz UDRARCHYYTVMHS-VMFRVMOISA-N 2 0 295.471 1.787 10 0 CDAERP CC[C@H]([NH2+]CCOCC[NH+](C)C)[C@H]1CCCOC1 ZINC000872065189 1165377677 /nfs/dbraw/zinc/37/76/77/1165377677.db2.gz VKFYRRPFQNTWEH-KBPBESRZSA-N 2 0 258.406 1.359 10 0 CDAERP CC1(C)C[NH2+]CC[C@H]1[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000872145678 1165385070 /nfs/dbraw/zinc/38/50/70/1165385070.db2.gz WJVTVISLTDGXPK-CHWSQXEVSA-N 2 0 252.402 1.923 10 0 CDAERP [NH3+]C[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)C[C@@H]1C(F)(F)F ZINC000872149478 1165385660 /nfs/dbraw/zinc/38/56/60/1165385660.db2.gz OVFZWEIVSRCJRZ-MXWKQRLJSA-N 3 0 265.323 1.055 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000874468727 1165635856 /nfs/dbraw/zinc/63/58/56/1165635856.db2.gz PLZKJFPCGRDNDU-OLZOCXBDSA-N 2 0 255.406 1.031 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NCCCC[N@H+](C)C1CC1 ZINC001629430113 1166138590 /nfs/dbraw/zinc/13/85/90/1166138590.db2.gz MICFYHXGGOWKHC-ZDUSSCGKSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)(CN1CCCC1)[NH2+]CCCNC(=O)C(F)(F)F ZINC000832761958 796450434 /nfs/dbraw/zinc/45/04/34/796450434.db2.gz ZJQSWCWIRHMMPE-UHFFFAOYSA-N 2 0 295.349 1.519 10 0 CDAERP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925845445 796523795 /nfs/dbraw/zinc/52/37/95/796523795.db2.gz HDECPWARXUAPRZ-CVEARBPZSA-N 3 0 282.476 1.312 10 0 CDAERP CC(C)C[C@H](O)C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925581467 796536697 /nfs/dbraw/zinc/53/66/97/796536697.db2.gz RSXNKSCXCBADEA-CRWXNKLISA-N 2 0 254.418 1.760 10 0 CDAERP [NH3+]C[C@H]1CN(CCC[NH+]2CCCCC2)C[C@H]1C(F)(F)F ZINC000720809238 796548078 /nfs/dbraw/zinc/54/80/78/796548078.db2.gz FWHTUHIDRQBJPQ-QWHCGFSZSA-N 2 0 293.377 1.931 10 0 CDAERP Fc1cc(CNC2CC[NH+](C[C@H]3CCOC3)CC2)ccn1 ZINC000858141148 796553163 /nfs/dbraw/zinc/55/31/63/796553163.db2.gz LMEIQCWNXJHEKG-CQSZACIVSA-N 2 0 293.386 1.811 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCO[C@@H](C2CC2)C1 ZINC000926185496 796591886 /nfs/dbraw/zinc/59/18/86/796591886.db2.gz YGMJPSQEJOZIRV-JPIQDLEPSA-N 2 0 264.413 1.874 10 0 CDAERP CC[S@](=O)CC[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21 ZINC000796763142 796616189 /nfs/dbraw/zinc/61/61/89/796616189.db2.gz UZFVEORIAZEOIQ-ZFRZLUBXSA-N 2 0 258.431 1.217 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000852859041 796730307 /nfs/dbraw/zinc/73/03/07/796730307.db2.gz MUZOANMCESXRBQ-ZIAGYGMSSA-N 2 0 263.385 1.039 10 0 CDAERP CC(C)(C)S(=O)(=O)CC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925597133 796779220 /nfs/dbraw/zinc/77/92/20/796779220.db2.gz GTMPMFUQSVDQPU-NEPJUHHUSA-N 2 0 290.473 1.695 10 0 CDAERP C[N@@H+](Cc1cccc(O)c1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923305276 796804629 /nfs/dbraw/zinc/80/46/29/796804629.db2.gz WSFNPKHZOOUOMP-AWEZNQCLSA-N 2 0 262.353 1.203 10 0 CDAERP Cn1nccc1[C@@H](O)C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925889259 796836223 /nfs/dbraw/zinc/83/62/23/796836223.db2.gz JHBAULUPXZSYRE-ZBFHGGJFSA-N 2 0 288.395 1.523 10 0 CDAERP CC[NH+](CC)CCC[C@@H](C)NC(=O)C=C1CC[NH2+]CC1 ZINC000852855078 796843286 /nfs/dbraw/zinc/84/32/86/796843286.db2.gz VYRFORUEMCLNLM-CQSZACIVSA-N 2 0 281.444 1.923 10 0 CDAERP CSC[C@H]1CCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923387742 796855024 /nfs/dbraw/zinc/85/50/24/796855024.db2.gz LAYZGXQDDBDGAG-VXGBXAGGSA-N 2 0 256.415 1.192 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C2CCC([NH3+])CC2)C1 ZINC000715537030 796860251 /nfs/dbraw/zinc/86/02/51/796860251.db2.gz HKPDJMFAZRXKDC-NWINJMCUSA-N 2 0 267.417 1.493 10 0 CDAERP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000094751471 796867756 /nfs/dbraw/zinc/86/77/56/796867756.db2.gz XALORIJLIDQHDM-HZSPNIEDSA-N 2 0 265.401 1.201 10 0 CDAERP CN(C)[C@H]1CCC[C@@H]([NH2+]CC2CCS(=O)(=O)CC2)C1 ZINC000715516623 796873812 /nfs/dbraw/zinc/87/38/12/796873812.db2.gz DFQARZGLPNIYQM-KGLIPLIRSA-N 2 0 288.457 1.274 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)c2cccc(C[NH3+])c2)CC[N@@H+]1C ZINC000830351342 796874195 /nfs/dbraw/zinc/87/41/95/796874195.db2.gz PVCSSKRJHPWIJI-IUODEOHRSA-N 2 0 275.396 1.700 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870865727 796884473 /nfs/dbraw/zinc/88/44/73/796884473.db2.gz FJOAWUHSADHNPY-IHRRRGAJSA-N 2 0 267.417 1.495 10 0 CDAERP CN(Cc1ccc(Cl)nc1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923300490 796894337 /nfs/dbraw/zinc/89/43/37/796894337.db2.gz HYTNSKUMQBWTIL-DCAQKATOSA-N 2 0 255.749 1.017 10 0 CDAERP COC[C@H](C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1)C(C)C ZINC000930904422 796950622 /nfs/dbraw/zinc/95/06/22/796950622.db2.gz STUSJHHGWAQKOH-LSDHHAIUSA-N 2 0 272.433 1.294 10 0 CDAERP CC(C)C[N@H+](C[C@@H](O)C1(O)CCC1)CC1CC[NH+](C)CC1 ZINC000931563748 797031655 /nfs/dbraw/zinc/03/16/55/797031655.db2.gz UKMYROJNUMYFMM-MRXNPFEDSA-N 2 0 298.471 1.562 10 0 CDAERP Cc1cc([C@@H]([NH3+])CC(=O)N[C@H]2CCC[NH2+]C2)cc(Cl)n1 ZINC000841845964 797045230 /nfs/dbraw/zinc/04/52/30/797045230.db2.gz IKBUWRZSSXECTN-RYUDHWBXSA-N 2 0 296.802 1.302 10 0 CDAERP [NH3+]CCC[C@@H](NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)c1ccccc1 ZINC000870944962 797048639 /nfs/dbraw/zinc/04/86/39/797048639.db2.gz GHFVRFZKTHTIBD-DLTWYDFYSA-N 2 0 287.407 1.710 10 0 CDAERP COCCC[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925784807 797076638 /nfs/dbraw/zinc/07/66/38/797076638.db2.gz SJOUNMFDMNVENP-QWRGUYRKSA-N 2 0 250.333 1.636 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000870916365 797154716 /nfs/dbraw/zinc/15/47/16/797154716.db2.gz DGKAQQHMRPBAGJ-JJRVBVJISA-N 2 0 291.439 1.591 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=[NH2+])N[C@H]2C[C@@H]2C)C1 ZINC000864459289 797306737 /nfs/dbraw/zinc/30/67/37/797306737.db2.gz GKUZPGZIQVHCDM-XQQFMLRXSA-N 2 0 252.406 1.487 10 0 CDAERP C(C[NH2+]C1CC1)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000923358872 797316771 /nfs/dbraw/zinc/31/67/71/797316771.db2.gz MBDJFNLQHIXBRX-CABCVRRESA-N 3 0 265.445 1.840 10 0 CDAERP [NH3+]Cc1ccc(-c2nc([C@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)o1 ZINC000094555484 797348666 /nfs/dbraw/zinc/34/86/66/797348666.db2.gz JMGJSQVJVWDUKI-BXKDBHETSA-N 2 0 290.323 1.324 10 0 CDAERP CCO[C@@H](CN[C@@H](C)[C@@H]1CCCC[NH2+]1)C[NH+](C)C ZINC000925837633 797357327 /nfs/dbraw/zinc/35/73/27/797357327.db2.gz RVSCRMNFFBQHHR-IHRRRGAJSA-N 2 0 257.422 1.073 10 0 CDAERP C[N@@H+](Cc1cccc2c1CC[NH2+]C2)C[C@@H]1CC[NH+](C)C1 ZINC000123974053 797360170 /nfs/dbraw/zinc/36/01/70/797360170.db2.gz SEOANCXHLBZDBM-CQSZACIVSA-N 3 0 273.424 1.716 10 0 CDAERP C[NH+](C)C1(CNC(=[NH2+])NCCc2cccs2)CCC1 ZINC000849020629 797398784 /nfs/dbraw/zinc/39/87/84/797398784.db2.gz OUZKLSFWSFKWIK-UHFFFAOYSA-N 2 0 280.441 1.889 10 0 CDAERP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC(C)(C)CS(C)(=O)=O ZINC000925834046 797398998 /nfs/dbraw/zinc/39/89/98/797398998.db2.gz VVAXOKZSMBCOQM-VXGBXAGGSA-N 2 0 276.446 1.035 10 0 CDAERP COC1(OC)CC[C@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000926569038 797481615 /nfs/dbraw/zinc/48/16/15/797481615.db2.gz WYAQZWNXEFKTDM-CYBMUJFWSA-N 2 0 261.325 1.575 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)[C@H]1C[NH2+]CC1(C)C)c1cccs1 ZINC000711354945 797498732 /nfs/dbraw/zinc/49/87/32/797498732.db2.gz PLRNGWWBPFKBPJ-VXGBXAGGSA-N 2 0 295.452 1.713 10 0 CDAERP CC(=O)N1CCC[C@H](C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000925662453 797544559 /nfs/dbraw/zinc/54/45/59/797544559.db2.gz IHBMCJYIGRGVSW-WCVJEAGWSA-N 2 0 293.455 1.611 10 0 CDAERP C[C@@H](NC[C@]12CCC[C@H]1[NH2+]CC2)c1c[nH+]ccc1N ZINC000925840090 797597770 /nfs/dbraw/zinc/59/77/70/797597770.db2.gz KMQCGPFJZLTNPW-KCPJHIHWSA-N 3 0 260.385 1.677 10 0 CDAERP C([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724651557 797643312 /nfs/dbraw/zinc/64/33/12/797643312.db2.gz ZQLADYPZSHJSSA-SEBNEYGDSA-N 2 0 266.385 1.007 10 0 CDAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)CCCCC[NH3+] ZINC000155478608 797769297 /nfs/dbraw/zinc/76/92/97/797769297.db2.gz KCFANNKCYNJRLX-INIZCTEOSA-N 2 0 291.439 1.795 10 0 CDAERP CC(C)[NH2+]CC(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000870988899 797799252 /nfs/dbraw/zinc/79/92/52/797799252.db2.gz BYAJXQLWHYWMGB-CQSZACIVSA-N 2 0 255.406 1.208 10 0 CDAERP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCC1(OC)OC ZINC000925242275 797820106 /nfs/dbraw/zinc/82/01/06/797820106.db2.gz ZBXNMBKRZVTKOD-STQMWFEESA-N 2 0 274.405 1.084 10 0 CDAERP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925851625 797861265 /nfs/dbraw/zinc/86/12/65/797861265.db2.gz MQIYMKZCTLZTFO-PWSUYJOCSA-N 2 0 292.383 1.054 10 0 CDAERP CC[C@H](C[NH+](C)C)OC(=O)C1CC[NH+](C2CC2)CC1 ZINC000870554114 797864427 /nfs/dbraw/zinc/86/44/27/797864427.db2.gz ZISFISMKLJZGEZ-CQSZACIVSA-N 2 0 268.401 1.744 10 0 CDAERP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CC(CC(N)=O)C1 ZINC000718421338 797882844 /nfs/dbraw/zinc/88/28/44/797882844.db2.gz OLARGMXXRLSCGB-AHPWVWPOSA-N 2 0 267.417 1.541 10 0 CDAERP C[C@H]([NH2+]C[C@H]1CCC2(CCC2)CO1)[C@H]1CC[NH2+]C1 ZINC000716601424 797888651 /nfs/dbraw/zinc/88/86/51/797888651.db2.gz NZNVDSWJAUCIDW-MELADBBJSA-N 2 0 252.402 1.923 10 0 CDAERP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCC(=O)Nc1ccccc1)C2 ZINC000703568816 797891394 /nfs/dbraw/zinc/89/13/94/797891394.db2.gz XQMGEKGPQRGXNN-XJKSGUPXSA-N 2 0 273.380 1.557 10 0 CDAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]C3CSC3)cc2)C1 ZINC000668489083 797891972 /nfs/dbraw/zinc/89/19/72/797891972.db2.gz BENGEAXACWGGMO-OAHLLOKOSA-N 2 0 278.421 1.458 10 0 CDAERP [NH3+]C[C@@H]1CN(CCC[NH2+]C2CC2)C[C@H]1C(F)(F)F ZINC000923423305 797897233 /nfs/dbraw/zinc/89/72/33/797897233.db2.gz ALTMUVSWIHZYEL-MWLCHTKSSA-N 2 0 265.323 1.198 10 0 CDAERP CCC[C@H](O)C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925483661 798001360 /nfs/dbraw/zinc/00/13/60/798001360.db2.gz WXHLDARVYMOMHC-SOUVJXGZSA-N 2 0 254.418 1.905 10 0 CDAERP Cc1nccn1C[C@H](C)C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925594993 798018279 /nfs/dbraw/zinc/01/82/79/798018279.db2.gz FHWFWRCTCVYHDP-BNOWGMLFSA-N 3 0 262.401 1.687 10 0 CDAERP COC(CC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)OC ZINC000851763377 798028126 /nfs/dbraw/zinc/02/81/26/798028126.db2.gz RFDFMYLPYGTERE-OAHLLOKOSA-N 2 0 299.459 1.097 10 0 CDAERP COc1ncncc1C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000865764891 798032050 /nfs/dbraw/zinc/03/20/50/798032050.db2.gz QGQDTGGOOWJBBK-UHFFFAOYSA-N 2 0 278.400 1.838 10 0 CDAERP [NH3+]CCCN(CC1CCCC1)C(=O)CCC12CC(C1)C[NH2+]2 ZINC000870943777 798071227 /nfs/dbraw/zinc/07/12/27/798071227.db2.gz VEVFGVXGARTQRH-UHFFFAOYSA-N 2 0 293.455 1.886 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC001635814673 1166625716 /nfs/dbraw/zinc/62/57/16/1166625716.db2.gz MACUFAUIWXBNBZ-MBNYWOFBSA-N 2 0 267.417 1.173 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCC2([NH+](C)C)CCC2)CC[N@@H+]1C ZINC000356014700 1167341497 /nfs/dbraw/zinc/34/14/97/1167341497.db2.gz VOOUFGWFZOBCSW-STQMWFEESA-N 2 0 267.417 1.317 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H](C[NH2+]CCF)C1CC1 ZINC001569306257 1167556844 /nfs/dbraw/zinc/55/68/44/1167556844.db2.gz KFLMEWGOUCJDBA-UONOGXRCSA-N 2 0 285.407 1.315 10 0 CDAERP C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1[NH2+]CCCF ZINC001570344975 1167574267 /nfs/dbraw/zinc/57/42/67/1167574267.db2.gz YJARENFKTMHYJR-QWHCGFSZSA-N 2 0 285.407 1.267 10 0 CDAERP CCCCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001571599967 1167600621 /nfs/dbraw/zinc/60/06/21/1167600621.db2.gz IZIJVWUURAGIHT-GJZGRUSLSA-N 2 0 299.459 1.022 10 0 CDAERP CC[N@H+](C)CCOCCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001566062529 1168224215 /nfs/dbraw/zinc/22/42/15/1168224215.db2.gz DIDVEMYXCRPDMO-UHFFFAOYSA-N 2 0 299.459 1.145 10 0 CDAERP CO[C@@H](C)C[N@H+](C)CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001566479793 1168301298 /nfs/dbraw/zinc/30/12/98/1168301298.db2.gz DCLZWZKEIPDTSZ-AWEZNQCLSA-N 2 0 299.459 1.334 10 0 CDAERP CC1CC(C[N@H+](C)CCNC(=O)CC[NH+](C)C)C1 ZINC001266321027 894374028 /nfs/dbraw/zinc/37/40/28/894374028.db2.gz PPSFQIMFCXHLKF-UHFFFAOYSA-N 2 0 255.406 1.032 10 0 CDAERP CC[C@@H](C(=O)NCC[N@H+](C)CC[C@@H](C)F)[NH+](C)C ZINC001266351009 894508525 /nfs/dbraw/zinc/50/85/25/894508525.db2.gz XVMMWNCCFAQPJQ-NEPJUHHUSA-N 2 0 261.385 1.123 10 0 CDAERP CCCC[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001266548705 895313669 /nfs/dbraw/zinc/31/36/69/895313669.db2.gz FWLUJBJNRPENAP-CQSZACIVSA-N 2 0 267.417 1.320 10 0 CDAERP CC/C=C/CC[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001266659514 895711837 /nfs/dbraw/zinc/71/18/37/895711837.db2.gz DRELZKUNCVTSRM-VBROQKIQSA-N 2 0 267.417 1.485 10 0 CDAERP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]CC1=CCCCC1 ZINC001266965904 896460268 /nfs/dbraw/zinc/46/02/68/896460268.db2.gz XRZRIAKPRVGSMV-AWEZNQCLSA-N 2 0 293.455 1.923 10 0 CDAERP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000724343865 896672576 /nfs/dbraw/zinc/67/25/76/896672576.db2.gz UQBZLTCNYMYFPO-RKFYDKJMSA-N 2 0 286.441 1.202 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CCCF)C1 ZINC001267070473 896685582 /nfs/dbraw/zinc/68/55/82/896685582.db2.gz MHSCCDGIUCLAFX-ZDUSSCGKSA-N 2 0 273.396 1.124 10 0 CDAERP C([C@@H]1C[C@H]2COC[C@@H]2O1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000724587577 896971278 /nfs/dbraw/zinc/97/12/78/896971278.db2.gz VOVDEUKPGABMNO-YXMSTPNBSA-N 2 0 280.412 1.254 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H]1C[NH2+]CCC(C)(C)C ZINC001483942770 915216494 /nfs/dbraw/zinc/21/64/94/915216494.db2.gz MRKISIPHILOUTM-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)=CC[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001267193967 897099079 /nfs/dbraw/zinc/09/90/79/897099079.db2.gz HBTZRUVTTJOSGI-HNNXBMFYSA-N 2 0 281.444 1.873 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CCC1=CCCCC1 ZINC001267230282 897233143 /nfs/dbraw/zinc/23/31/43/897233143.db2.gz KVLXJJRMVCZNOL-MRXNPFEDSA-N 2 0 293.455 1.877 10 0 CDAERP CC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)CC(C)C ZINC001267256183 897357910 /nfs/dbraw/zinc/35/79/10/897357910.db2.gz ZRAFIPGJXZHMPV-UHFFFAOYSA-N 2 0 267.417 1.176 10 0 CDAERP C[C@H](C[NH2+]Cc1ccsc1)N(C)C(=O)CC[NH+](C)C ZINC001496150914 897394252 /nfs/dbraw/zinc/39/42/52/897394252.db2.gz TVHIZSMXIJFLTP-GFCCVEGCSA-N 2 0 283.441 1.636 10 0 CDAERP CCC(CC)C[NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001267428884 897893778 /nfs/dbraw/zinc/89/37/78/897893778.db2.gz FXKSTIHMMCZVQD-AWEZNQCLSA-N 2 0 283.460 1.812 10 0 CDAERP CCCCC[NH2+]CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001267455914 897931757 /nfs/dbraw/zinc/93/17/57/897931757.db2.gz HAZUXBUMRZEOCY-AWEZNQCLSA-N 2 0 269.433 1.566 10 0 CDAERP CC[C@@H](C)C[N@H+](CC)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001480975017 898415159 /nfs/dbraw/zinc/41/51/59/898415159.db2.gz DIOWLMFPGMLZPA-ZBFHGGJFSA-N 2 0 295.471 1.812 10 0 CDAERP CC[C@H](C)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001267629870 899088069 /nfs/dbraw/zinc/08/80/69/899088069.db2.gz OQAHAHWXWLMVBI-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP COCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001267723041 899384552 /nfs/dbraw/zinc/38/45/52/899384552.db2.gz OYOINVWLQWDBSK-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CCCCCF)C1 ZINC001267757951 899609388 /nfs/dbraw/zinc/60/93/88/899609388.db2.gz GFHSXLYHNZOMNV-CABCVRRESA-N 2 0 299.434 1.753 10 0 CDAERP CC[C@H](C(=O)N(C)CC[NH2+]C[C@@H](F)CC)[NH+](C)C ZINC001481246833 899631931 /nfs/dbraw/zinc/63/19/31/899631931.db2.gz ZNNJQACUVLCIIH-NWDGAFQWSA-N 2 0 261.385 1.123 10 0 CDAERP CCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001267984664 900191903 /nfs/dbraw/zinc/19/19/03/900191903.db2.gz DKVQFWOTBSUSKW-KBPBESRZSA-N 2 0 269.433 1.611 10 0 CDAERP Cc1nc(C[NH3+])ccc1[C@@H](C)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000925774560 901039218 /nfs/dbraw/zinc/03/92/18/901039218.db2.gz BBSPUTNFHULONV-PWSUYJOCSA-N 2 0 298.381 1.744 10 0 CDAERP Cc1cccc(C[NH2+]CC[C@H](C)NC(=O)CC[NH+](C)C)c1 ZINC001268396302 901991161 /nfs/dbraw/zinc/99/11/61/901991161.db2.gz IEHYSFKZAQYYKU-HNNXBMFYSA-N 2 0 291.439 1.931 10 0 CDAERP CC[C@H](CNC(=O)[C@H](C)C[NH+]1CCOCC1)[NH2+]CC(C)C ZINC001481879623 902264277 /nfs/dbraw/zinc/26/42/77/902264277.db2.gz VXVBSHWPEFEUMD-HUUCEWRRSA-N 2 0 299.459 1.095 10 0 CDAERP CCCC[NH2+]C/C=C/CNC(=O)[C@H]1CCc2nccn2C1 ZINC001268559173 902561825 /nfs/dbraw/zinc/56/18/25/902561825.db2.gz BSGAHRUTTBRGDQ-NNTXTVRGSA-N 2 0 290.411 1.508 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cnc(C)o1)[NH+](C)C ZINC001482162131 902777585 /nfs/dbraw/zinc/77/75/85/902777585.db2.gz ZRJKHUDQCNYGAH-SMDDNHRTSA-N 2 0 296.415 1.165 10 0 CDAERP CC[NH2+]C/C=C/CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001268628808 902840588 /nfs/dbraw/zinc/84/05/88/902840588.db2.gz QOULPGMTYGJQGF-FBVTZJDUSA-N 2 0 253.390 1.141 10 0 CDAERP C[C@@H](C[NH2+]CC1CCC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001268711830 902997337 /nfs/dbraw/zinc/99/73/37/902997337.db2.gz WRNASIMVFWCLOY-JSGCOSHPSA-N 2 0 267.417 1.223 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@@H]2CCCC[C@@H]2C[NH2+]CCF)CCC1 ZINC001268763086 903100611 /nfs/dbraw/zinc/10/06/11/903100611.db2.gz CYRYEFZQERKJAB-ZIAGYGMSSA-N 2 0 299.434 1.705 10 0 CDAERP CN(CCC[NH2+]CC1CC1)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001268876639 903200956 /nfs/dbraw/zinc/20/09/56/903200956.db2.gz LTYPUWOXVVQGKD-HOTGVXAUSA-N 2 0 293.455 1.851 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001269193141 903526011 /nfs/dbraw/zinc/52/60/11/903526011.db2.gz BEQBZEYVBGJTPI-ZYDHHDLOSA-N 2 0 279.428 1.485 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)N2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001362703471 903984159 /nfs/dbraw/zinc/98/41/59/903984159.db2.gz OARADVDZLVJVBT-UHFFFAOYSA-N 2 0 295.471 1.907 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H](F)C2)CC1 ZINC001362835617 904091284 /nfs/dbraw/zinc/09/12/84/904091284.db2.gz FUXPCYCLALLMPC-KGLIPLIRSA-N 2 0 285.407 1.363 10 0 CDAERP Cn1ccnc1[C@@H](O)C1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261942912 904439978 /nfs/dbraw/zinc/43/99/78/904439978.db2.gz DXFSFINRBKQZDW-GOEBONIOSA-N 2 0 292.427 1.165 10 0 CDAERP C[C@@H](C[NH2+]C/C=C\Cl)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001482291757 904667694 /nfs/dbraw/zinc/66/76/94/904667694.db2.gz INUBYPATMMCPRK-JECSTDCCSA-N 2 0 287.835 1.660 10 0 CDAERP C[C@H](CNC(=O)C1CC[NH+](C)CC1)C[NH2+]CCCF ZINC001270506138 904685603 /nfs/dbraw/zinc/68/56/03/904685603.db2.gz BVMIFOPFMLYROG-LBPRGKRZSA-N 2 0 273.396 1.030 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+]C/C=C\Cl ZINC001270605357 904784256 /nfs/dbraw/zinc/78/42/56/904784256.db2.gz ZDELGVIGRQZWNF-FJOGCWAESA-N 2 0 275.824 1.421 10 0 CDAERP CC(C)CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001270922794 905451180 /nfs/dbraw/zinc/45/11/80/905451180.db2.gz XABAPOAPWDIMNJ-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC1CC1 ZINC001482518923 906749259 /nfs/dbraw/zinc/74/92/59/906749259.db2.gz SZWTWQPNQXQDEW-KBPBESRZSA-N 2 0 267.417 1.221 10 0 CDAERP O=c1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc[nH]1 ZINC000922067528 921264480 /nfs/dbraw/zinc/26/44/80/921264480.db2.gz FMNONQCNRUUYIJ-UHFFFAOYSA-N 2 0 261.369 1.751 10 0 CDAERP COCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001567913630 1169063667 /nfs/dbraw/zinc/06/36/67/1169063667.db2.gz GCMJCXHVHOUOLU-LSDHHAIUSA-N 2 0 297.443 1.040 10 0 CDAERP C[C@H](CC[NH2+]Cc1ccccn1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001482899955 908465566 /nfs/dbraw/zinc/46/55/66/908465566.db2.gz ZKDSEJAZKAEJFN-KGLIPLIRSA-N 2 0 290.411 1.018 10 0 CDAERP CCCC[NH2+]CCN(CC)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001482946377 908526692 /nfs/dbraw/zinc/52/66/92/908526692.db2.gz GOIVNCAUPDQQIH-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CCCF ZINC001567985031 1169108556 /nfs/dbraw/zinc/10/85/56/1169108556.db2.gz YOETZSLKOGONHX-CHWSQXEVSA-N 2 0 273.396 1.172 10 0 CDAERP C(C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000714787382 909761443 /nfs/dbraw/zinc/76/14/43/909761443.db2.gz FKHDVMYRRLYWOL-PMPSAXMXSA-N 2 0 263.429 1.402 10 0 CDAERP CC1(C)CO[C@H](C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)C1 ZINC000715024500 909790465 /nfs/dbraw/zinc/79/04/65/909790465.db2.gz VTRJMYXPPKISIC-RDBSUJKOSA-N 2 0 252.402 1.875 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001483192875 909949588 /nfs/dbraw/zinc/94/95/88/909949588.db2.gz IXNGFGDGSQNQDT-CYBMUJFWSA-N 2 0 253.390 1.143 10 0 CDAERP COC1(OC)CC[C@@H]1[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000715558507 910021408 /nfs/dbraw/zinc/02/14/08/910021408.db2.gz OBRVQAZNSWKBQS-MOKVOYLWSA-N 2 0 270.417 1.990 10 0 CDAERP CC/C=C/CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001483228648 910304088 /nfs/dbraw/zinc/30/40/88/910304088.db2.gz UOQQQSLENAYMLN-XIKIYNFVSA-N 2 0 281.444 1.777 10 0 CDAERP CC(C)CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001483339321 910931498 /nfs/dbraw/zinc/93/14/98/910931498.db2.gz FYQBAOPGFBYPHQ-RBSFLKMASA-N 2 0 283.460 1.809 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CC[NH+](C)C ZINC001483440985 911120485 /nfs/dbraw/zinc/12/04/85/911120485.db2.gz HLFSTBULHCJWMI-CABCVRRESA-N 2 0 283.460 1.859 10 0 CDAERP CN1CCC[C@H]1C[N@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000225246031 911574028 /nfs/dbraw/zinc/57/40/28/911574028.db2.gz JBOBGYKTUWJYHY-UYTSQGDYSA-N 2 0 265.445 1.933 10 0 CDAERP CCCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001484511591 915836114 /nfs/dbraw/zinc/83/61/14/915836114.db2.gz JSCQLCPMZSNAOO-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H](CC[NH2+]CCCF)C2)C1 ZINC001484547625 915873640 /nfs/dbraw/zinc/87/36/40/915873640.db2.gz SEKKKKIEUVCSKG-LSDHHAIUSA-N 2 0 299.434 1.516 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]C/C=C\Cl ZINC001568188459 1169169130 /nfs/dbraw/zinc/16/91/30/1169169130.db2.gz LPIFPILNWQWRQB-XEGQIGPUSA-N 2 0 273.808 1.175 10 0 CDAERP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000720902599 935266491 /nfs/dbraw/zinc/26/64/91/935266491.db2.gz UMZBSFCNNRURCV-LXTVHRRPSA-N 2 0 279.428 1.589 10 0 CDAERP CC(C)[N@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001485302695 916813737 /nfs/dbraw/zinc/81/37/37/916813737.db2.gz NJNUAMVKLSDNEZ-OCCSQVGLSA-N 2 0 267.417 1.173 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC001485345320 916863101 /nfs/dbraw/zinc/86/31/01/916863101.db2.gz KWJDEGKUAPAQTH-CQSZACIVSA-N 2 0 277.412 1.575 10 0 CDAERP COCC[NH2+][C@H](CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001485441457 916970998 /nfs/dbraw/zinc/97/09/98/916970998.db2.gz NGMKJPUNJZJULX-LSDHHAIUSA-N 2 0 299.459 1.047 10 0 CDAERP Cc1nc(F)ccc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000785456015 920420445 /nfs/dbraw/zinc/42/04/45/920420445.db2.gz RTAXSTWJRSTMAU-UHFFFAOYSA-N 2 0 251.349 1.961 10 0 CDAERP CCC[NH2+][C@H](C)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001485922131 920579785 /nfs/dbraw/zinc/57/97/85/920579785.db2.gz GWKHFQMRDWIRLM-CHWSQXEVSA-N 2 0 255.406 1.175 10 0 CDAERP CCN1CC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001140101799 936678827 /nfs/dbraw/zinc/67/88/27/936678827.db2.gz BWOBPCODJKCPQV-UONOGXRCSA-N 2 0 265.401 1.214 10 0 CDAERP CC[C@@H](C(=O)N(CC[N@H+](C)CC)C(C)C)[NH+](C)C ZINC001486375923 920954767 /nfs/dbraw/zinc/95/47/67/920954767.db2.gz SIFOOYQDKHWPGO-ZDUSSCGKSA-N 2 0 257.422 1.515 10 0 CDAERP C[NH+](C)C[C@@H]1CN(CC[NH2+]C(C)(C)C)C[C@H]1C[NH+](C)C ZINC000705889027 923015365 /nfs/dbraw/zinc/01/53/65/923015365.db2.gz KPNHDEUKJGFCKV-HUUCEWRRSA-N 3 0 284.492 1.046 10 0 CDAERP C[C@@H]1C[C@@H](C)N(CCCCS(C)(=O)=O)C[C@H]1C[NH3+] ZINC000706516732 923058211 /nfs/dbraw/zinc/05/82/11/923058211.db2.gz ZUGNXAOMZVLCML-JHJVBQTASA-N 2 0 276.446 1.116 10 0 CDAERP CCCC[NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCCC1 ZINC001649442451 1169255072 /nfs/dbraw/zinc/25/50/72/1169255072.db2.gz CCRWLOWDHXSIRG-UHFFFAOYSA-N 2 0 281.444 1.901 10 0 CDAERP C[N@@H+]1CCN(C(=O)[C@@]2(C)CCC[NH2+]2)CCC1(C)C ZINC000707964360 923174873 /nfs/dbraw/zinc/17/48/73/923174873.db2.gz HKRRTDJEXARZQD-CQSZACIVSA-N 2 0 253.390 1.071 10 0 CDAERP CC(C)C[C@H](CNC(=O)[C@@H]1C[NH2+]CC1(C)C)[NH+](C)C ZINC000711347200 923511038 /nfs/dbraw/zinc/51/10/38/923511038.db2.gz OLRFNANVOBDEOD-OLZOCXBDSA-N 2 0 269.433 1.325 10 0 CDAERP CC1(C)C[NH2+]C[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000711375260 923527478 /nfs/dbraw/zinc/52/74/78/923527478.db2.gz DASDQZHWSDBENL-ZIAGYGMSSA-N 2 0 279.428 1.319 10 0 CDAERP O=C1CC2(CN1)CC[NH+](CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000923315107 923732645 /nfs/dbraw/zinc/73/26/45/923732645.db2.gz FHHVPNCFQPHZCP-GOOCMWNKSA-N 2 0 291.439 1.509 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@H]1CCC[N@@H+](C/C=C\Cl)C1 ZINC001491130796 936860812 /nfs/dbraw/zinc/86/08/12/936860812.db2.gz QMZVNRAGDIHTCZ-KXQLTZBTSA-N 2 0 299.846 1.663 10 0 CDAERP C(C[NH2+]C1CC1)CN1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000923363940 923778690 /nfs/dbraw/zinc/77/86/90/923778690.db2.gz GEFURLLQMFOQPC-GJZGRUSLSA-N 2 0 251.418 1.735 10 0 CDAERP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CCO[C@@H]2CCOC2)CC1 ZINC000923376190 923790600 /nfs/dbraw/zinc/79/06/00/923790600.db2.gz VHYPHBJODZXCGV-BZUAXINKSA-N 2 0 298.427 1.010 10 0 CDAERP CN1CC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC1=O ZINC000923391603 923800083 /nfs/dbraw/zinc/80/00/83/923800083.db2.gz ZBKZXMFZXLWVOY-AGUYFDCRSA-N 2 0 265.401 1.071 10 0 CDAERP COC[C@H](O)C[N@@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000923420085 923825609 /nfs/dbraw/zinc/82/56/09/923825609.db2.gz FQCJDXIIUDHFAF-FVQBIDKESA-N 2 0 284.444 1.613 10 0 CDAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](C[C@H]1CCC3(CCC3)O1)CC2 ZINC000923445654 923831611 /nfs/dbraw/zinc/83/16/11/923831611.db2.gz KVJHSVWKKALAAC-HUUCEWRRSA-N 2 0 294.439 1.918 10 0 CDAERP COc1cc(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)sn1 ZINC000923445584 923832037 /nfs/dbraw/zinc/83/20/37/923832037.db2.gz KMPCEPQJNVYRBZ-NSHDSACASA-N 2 0 297.424 1.482 10 0 CDAERP CC(C)COCC[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923450442 923842875 /nfs/dbraw/zinc/84/28/75/923842875.db2.gz GSGYNOIZQFAWRK-CQSZACIVSA-N 2 0 270.417 1.489 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@H](C[NH2+]CCC2CC2)C1 ZINC001491186932 936870653 /nfs/dbraw/zinc/87/06/53/936870653.db2.gz PMOICFYZZPHZLU-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP C[NH2+]C[C@](C)(O)C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923507926 923888135 /nfs/dbraw/zinc/88/81/35/923888135.db2.gz RGXZUNVQGZZRQW-HOCLYGCPSA-N 3 0 283.460 1.059 10 0 CDAERP Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cc1F ZINC000923503663 923892975 /nfs/dbraw/zinc/89/29/75/923892975.db2.gz KOEUVIKFPOOVCH-CHWSQXEVSA-N 2 0 293.386 1.989 10 0 CDAERP [NH3+]CCOCC[N@@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000923549017 923922127 /nfs/dbraw/zinc/92/21/27/923922127.db2.gz DRNKYNOOQICNOC-AWEZNQCLSA-N 2 0 256.390 1.100 10 0 CDAERP C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)C1([NH+](C)C)CCCC1 ZINC001141467188 936877817 /nfs/dbraw/zinc/87/78/17/936877817.db2.gz NYKNOGWFWIAAOM-QWHCGFSZSA-N 2 0 267.417 1.412 10 0 CDAERP CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001568396768 1169271266 /nfs/dbraw/zinc/27/12/66/1169271266.db2.gz LUKJCUQTVXZHBB-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP Cn1nc2c(c1C[NH2+]CCC1CC[NH+](C)CC1)COCC2 ZINC001119678095 925466650 /nfs/dbraw/zinc/46/66/50/925466650.db2.gz UIHHJOGRDYZSQO-UHFFFAOYSA-N 2 0 292.427 1.314 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001488743163 926691600 /nfs/dbraw/zinc/69/16/00/926691600.db2.gz CNFFJLBGWMGKAU-ZNMIVQPWSA-N 2 0 283.460 1.857 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)CCc2c[nH]cn2)C1 ZINC001488830888 926728230 /nfs/dbraw/zinc/72/82/30/926728230.db2.gz HOCNBSQWSRIJSH-UMVBOHGHSA-N 2 0 292.427 1.873 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2CCC[NH+](CC)[C@@H]2C1(C)C ZINC001489088196 926805525 /nfs/dbraw/zinc/80/55/25/926805525.db2.gz UWZZSZIHMAELDM-BMFZPTHFSA-N 2 0 295.471 1.953 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCC[C@@H](C)O)[C@@H]1C ZINC001489305826 926861588 /nfs/dbraw/zinc/86/15/88/926861588.db2.gz XLBBYSQKDJTOAQ-KFWWJZLASA-N 2 0 299.459 1.068 10 0 CDAERP C[N@@H+](C/C=C\Cl)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001490214958 927016208 /nfs/dbraw/zinc/01/62/08/927016208.db2.gz FEVPSJQQGLWNLB-UJZCVKTISA-N 2 0 287.835 1.661 10 0 CDAERP CC[NH2+]CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379682415 927156827 /nfs/dbraw/zinc/15/68/27/927156827.db2.gz XHGYUJXNWBCIBV-INIZCTEOSA-N 2 0 289.423 1.767 10 0 CDAERP CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001411189787 927194640 /nfs/dbraw/zinc/19/46/40/927194640.db2.gz SKLXNUJZJVQIKD-CABCVRRESA-N 2 0 299.459 1.022 10 0 CDAERP [NH3+]CCCCCC(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000843498473 937156531 /nfs/dbraw/zinc/15/65/31/937156531.db2.gz OZFHMIAOVLAZLJ-ZIAGYGMSSA-N 2 0 267.417 1.496 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C=C1CC[NH2+]CC1 ZINC000852864563 927901381 /nfs/dbraw/zinc/90/13/81/927901381.db2.gz ABPKAVCOPRUJGX-KBPBESRZSA-N 2 0 279.428 1.675 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C=C1CC[NH2+]CC1 ZINC000852864565 927901407 /nfs/dbraw/zinc/90/14/07/927901407.db2.gz ABPKAVCOPRUJGX-ZIAGYGMSSA-N 2 0 279.428 1.675 10 0 CDAERP C[C@@H]1CCCN(C(=O)C=C2CC[NH2+]CC2)[C@H]1CC[NH3+] ZINC000852895943 927910999 /nfs/dbraw/zinc/91/09/99/927910999.db2.gz NPIWPASUTYFYHN-OCCSQVGLSA-N 2 0 265.401 1.272 10 0 CDAERP CC[C@@H](NC[C@]12OCCC[C@H]1C2(F)F)[C@@H]1CCC[NH2+]1 ZINC000854228860 928174495 /nfs/dbraw/zinc/17/44/95/928174495.db2.gz DTQIOWJGBUEZOQ-XQHKEYJVSA-N 2 0 274.355 1.921 10 0 CDAERP CC[C@@H]1CN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H](C)[NH2+]1 ZINC000856408572 928592417 /nfs/dbraw/zinc/59/24/17/928592417.db2.gz NQCIVRRSIMMQMX-WOSRLPQWSA-N 2 0 299.434 1.798 10 0 CDAERP C[C@H](C[NH2+]Cc1cn(C)nc1Cl)CN1CC[NH+](C)CC1 ZINC000856769717 928623368 /nfs/dbraw/zinc/62/33/68/928623368.db2.gz ZDJGOQRYRLVGND-GFCCVEGCSA-N 2 0 299.850 1.047 10 0 CDAERP Cc1c(C[NH2+]C2CCN(CC[NH+](C)C)CC2)ccnc1F ZINC000862269806 929395812 /nfs/dbraw/zinc/39/58/12/929395812.db2.gz VHKOFBATCZFEPR-UHFFFAOYSA-N 2 0 294.418 1.645 10 0 CDAERP C[NH+](C)Cc1cccc(-c2cnn3c2C[NH2+]CC3)c1 ZINC000863691754 929591752 /nfs/dbraw/zinc/59/17/52/929591752.db2.gz KBMDUNUBFKSSEE-UHFFFAOYSA-N 2 0 256.353 1.715 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H](C)C[C@@H](O)c1ccc(F)cc1 ZINC000817905554 930624617 /nfs/dbraw/zinc/62/46/17/930624617.db2.gz OIKYIWHLOTXZCR-UHOFOFEASA-N 2 0 298.402 1.981 10 0 CDAERP CN(C)c1ccc(N2CCC([NH2+]CCC[NH3+])CC2)cc1 ZINC000817938533 930636594 /nfs/dbraw/zinc/63/65/94/930636594.db2.gz MNEOCTMOZGBIHH-UHFFFAOYSA-N 2 0 276.428 1.660 10 0 CDAERP CC1(C)CO[C@@H](CC[NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000717347752 930655297 /nfs/dbraw/zinc/65/52/97/930655297.db2.gz OPUYTGROEWJYAG-KGLIPLIRSA-N 2 0 270.417 1.238 10 0 CDAERP C[C@@H]1[NH2+]CC[C@@H]1c1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000823168381 931268872 /nfs/dbraw/zinc/26/88/72/931268872.db2.gz UEALEWJGDURUCG-CABZTGNLSA-N 2 0 269.308 1.850 10 0 CDAERP CC(C)=CC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001274280758 931487387 /nfs/dbraw/zinc/48/73/87/931487387.db2.gz OOZQDPLNKFGXRK-LSDHHAIUSA-N 2 0 291.439 1.485 10 0 CDAERP CC(C)C[NH2+]C/C=C/CNC(=O)CC1CC[NH+](C)CC1 ZINC001274411852 931497915 /nfs/dbraw/zinc/49/79/15/931497915.db2.gz ASNNTEWKZJGWRH-SNAWJCMRSA-N 2 0 281.444 1.636 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccnc(Cl)c1)NC(=O)CC[NH+](C)C ZINC001275290930 931726583 /nfs/dbraw/zinc/72/65/83/931726583.db2.gz ALEYTENMQRXUCB-NSHDSACASA-N 2 0 298.818 1.281 10 0 CDAERP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@@H](C)[NH2+]CC1CC1 ZINC001275415947 931781910 /nfs/dbraw/zinc/78/19/10/931781910.db2.gz SAFHXEBVOVHDOI-VXGBXAGGSA-N 2 0 267.417 1.364 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCCC2(C[NH3+])CC2)C1 ZINC000846150372 931981229 /nfs/dbraw/zinc/98/12/29/931981229.db2.gz ZWUBPTFMOGUXQY-OLZOCXBDSA-N 2 0 282.432 1.287 10 0 CDAERP CC[C@H](C[NH+]1CCCC1)NC(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001411784232 932021804 /nfs/dbraw/zinc/02/18/04/932021804.db2.gz KXVCOBZLIUNEIC-UONOGXRCSA-N 2 0 285.407 1.411 10 0 CDAERP C[C@@H]1C[C@@H](C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)CC[NH2+]1 ZINC001117953926 937572561 /nfs/dbraw/zinc/57/25/61/937572561.db2.gz UILRYAUTSCLIQZ-NLXYCFSDSA-N 2 0 252.402 1.467 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)N(C)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001412496973 932456797 /nfs/dbraw/zinc/45/67/97/932456797.db2.gz CZPWFFLDEXRDOQ-CVEARBPZSA-N 2 0 293.455 1.659 10 0 CDAERP CN(CCC[NH2+]CC1CC1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001276051994 932475853 /nfs/dbraw/zinc/47/58/53/932475853.db2.gz DWOIXVFSXGYHSM-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000924647341 932807243 /nfs/dbraw/zinc/80/72/43/932807243.db2.gz JINVHJZCNXMCFU-SFDCQRBFSA-N 2 0 252.402 1.731 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@@H]2CCCN[C@@H]2C)CC1 ZINC000925490464 932892800 /nfs/dbraw/zinc/89/28/00/932892800.db2.gz BTHYWANJRBSXMC-UKRRQHHQSA-N 2 0 253.434 1.839 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCCOC[C@H]2CCOC2)C1 ZINC000925523869 932898107 /nfs/dbraw/zinc/89/81/07/932898107.db2.gz VRBUOEKQTJTHDA-RBSFLKMASA-N 2 0 284.444 1.925 10 0 CDAERP COCCOCCCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925540772 932901830 /nfs/dbraw/zinc/90/18/30/932901830.db2.gz IDRAKUKDOYEZTE-AWEZNQCLSA-N 2 0 270.417 1.694 10 0 CDAERP Cc1cccc(OC[C@H](O)C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925567864 932906352 /nfs/dbraw/zinc/90/63/52/932906352.db2.gz LYDJJSSIVITUML-BMFZPTHFSA-N 2 0 290.407 1.594 10 0 CDAERP C[C@@H]1C[NH+](CCCC[NH2+][C@H]2CC[NH2+]C23CCC3)C[C@@H](C)O1 ZINC000925570898 932906674 /nfs/dbraw/zinc/90/66/74/932906674.db2.gz YSTLTNHRAQMHGR-OAGGEKHMSA-N 3 0 295.471 1.750 10 0 CDAERP Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925632726 932918729 /nfs/dbraw/zinc/91/87/29/932918729.db2.gz YAAXJRFSKWBVLU-AYIQCDPPSA-N 2 0 288.439 1.556 10 0 CDAERP C[NH+](C)C1(CN[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CCC1 ZINC000925646158 932921023 /nfs/dbraw/zinc/92/10/23/932921023.db2.gz VTOFZMQJFVKQCD-QWHCGFSZSA-N 2 0 253.434 1.966 10 0 CDAERP CC1(C)[C@@H]([NH2+]CCOC(F)(F)F)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925650197 932921075 /nfs/dbraw/zinc/92/10/75/932921075.db2.gz SBEAYGLPBDWOKA-UTLUCORTSA-N 2 0 266.307 1.889 10 0 CDAERP CC1(C)[NH2+]CC[C@H]1[NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000925654842 932921920 /nfs/dbraw/zinc/92/19/20/932921920.db2.gz OEDYMICFMISZIS-QLFBSQMISA-N 2 0 293.455 1.898 10 0 CDAERP CC1(C)[C@H]([NH2+]CCN2CC=CCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925662927 932923115 /nfs/dbraw/zinc/92/31/15/932923115.db2.gz MGEDUILDKHFRRT-QLFBSQMISA-N 2 0 263.429 1.615 10 0 CDAERP C[N@@H+]1CCN(CC[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1(C)C ZINC000925661008 932923160 /nfs/dbraw/zinc/92/31/60/932923160.db2.gz BLUGYMNZBNLZTH-CABCVRRESA-N 3 0 296.503 1.508 10 0 CDAERP CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925676434 932925565 /nfs/dbraw/zinc/92/55/65/932925565.db2.gz JGZAFVNAYANTAK-LJISPDSOSA-N 2 0 295.471 1.905 10 0 CDAERP [NH3+]CC1(CC[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925701817 932929396 /nfs/dbraw/zinc/92/93/96/932929396.db2.gz GCVLIOMLAXTKJY-LSDHHAIUSA-N 3 0 265.445 1.873 10 0 CDAERP CC1(C)C[C@@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)C[C@@H]([NH3+])C1 ZINC000925711813 932930171 /nfs/dbraw/zinc/93/01/71/932930171.db2.gz SGFHJZXCYVXWHZ-FRRDWIJNSA-N 3 0 251.418 1.624 10 0 CDAERP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925726928 932933035 /nfs/dbraw/zinc/93/30/35/932933035.db2.gz MBWTWJNIEQSLQX-BEAPCOKYSA-N 3 0 251.418 1.482 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC[C@H]1C[NH2+]CCC1(F)F ZINC000925774872 932938160 /nfs/dbraw/zinc/93/81/60/932938160.db2.gz AEHIZFAVMRUPHX-NQBHXWOUSA-N 2 0 273.371 1.304 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC[C@H]1C[NH2+]CCC1(F)F ZINC000925774878 932938218 /nfs/dbraw/zinc/93/82/18/932938218.db2.gz AEHIZFAVMRUPHX-WZRBSPASSA-N 2 0 273.371 1.304 10 0 CDAERP CC[C@H](NC[C@H]1C[NH2+]CCC1(F)F)[C@@H]1CCC[NH2+]1 ZINC000925776140 932938284 /nfs/dbraw/zinc/93/82/84/932938284.db2.gz JFOCQFRQMZTWDI-WOPDTQHZSA-N 2 0 261.360 1.351 10 0 CDAERP [NH3+]C1CCN(CC[NH2+]C2CCC3(CCOCC3)CC2)CC1 ZINC000925809508 932940033 /nfs/dbraw/zinc/94/00/33/932940033.db2.gz JHFMTXRMRVNJPB-UHFFFAOYSA-N 2 0 295.471 1.739 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000925803141 932940256 /nfs/dbraw/zinc/94/02/56/932940256.db2.gz MLECVDKKESBLPC-MPTQWLOMSA-N 3 0 259.397 1.966 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000925800204 932940381 /nfs/dbraw/zinc/94/03/81/932940381.db2.gz WQSLOQRHKBSBSG-TUVASFSCSA-N 3 0 251.418 1.448 10 0 CDAERP CC[C@@H]1CCCC[C@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925810873 932940768 /nfs/dbraw/zinc/94/07/68/932940768.db2.gz GTTIMVSNMIRWEC-UKRRQHHQSA-N 2 0 253.434 1.968 10 0 CDAERP C[NH+](C)CC[C@H](N[C@@H]1C[C@@H]([NH3+])C12CCC2)c1cccnc1 ZINC000925828041 932943089 /nfs/dbraw/zinc/94/30/89/932943089.db2.gz UEOQCHPTIQWLFA-ARFHVFGLSA-N 2 0 288.439 1.934 10 0 CDAERP C1=C[C@@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)[C@H]2CO[C@@H]1C2 ZINC000925829114 932943715 /nfs/dbraw/zinc/94/37/15/932943715.db2.gz BLGFADJERQJTKB-QROFKTNTSA-N 2 0 292.423 1.324 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC[C@@H](N(C)C)C(F)(F)F ZINC000925837599 932944181 /nfs/dbraw/zinc/94/41/81/932944181.db2.gz RCEMKILOPSZSEH-FIQHERPVSA-N 2 0 297.365 1.211 10 0 CDAERP CC1CCC([NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)CC1 ZINC000925853458 932945270 /nfs/dbraw/zinc/94/52/70/932945270.db2.gz JGBLNRCTTVTATP-JXQTWKCFSA-N 2 0 280.412 1.840 10 0 CDAERP C[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1ccn(C)n1 ZINC000925844656 932946052 /nfs/dbraw/zinc/94/60/52/932946052.db2.gz ZHVIADBWEKFHLX-AWEZNQCLSA-N 2 0 279.432 1.146 10 0 CDAERP CC[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)[C@H]1CCOC1 ZINC000925856110 932946937 /nfs/dbraw/zinc/94/69/37/932946937.db2.gz WJCOVZQQDWDIQW-MJBXVCDLSA-N 2 0 296.411 1.076 10 0 CDAERP CC(C)n1cc([C@@H](C)[NH2+][C@H]2CCc3nc[nH]c3C2)nn1 ZINC000926450809 932991219 /nfs/dbraw/zinc/99/12/19/932991219.db2.gz RMOVMUCNYVJRQP-MNOVXSKESA-N 2 0 274.372 1.790 10 0 CDAERP CCON1CCC([NH2+]CCC[N@H+](C)CC(C)C)CC1 ZINC000926644906 933008143 /nfs/dbraw/zinc/00/81/43/933008143.db2.gz MMXDZILDTZZEBG-UHFFFAOYSA-N 2 0 271.449 1.970 10 0 CDAERP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](O)CCC2(O)CCC2)C1 ZINC000929747542 933263625 /nfs/dbraw/zinc/26/36/25/933263625.db2.gz FJIASZJFJDUSBL-JKSUJKDBSA-N 2 0 298.471 1.706 10 0 CDAERP CC[N@H+](CCC1CC[NH+](C[C@@H](O)CO)CC1)CC(C)C ZINC000930178852 933332176 /nfs/dbraw/zinc/33/21/76/933332176.db2.gz CQMJLFOFAYKKEI-MRXNPFEDSA-N 2 0 286.460 1.420 10 0 CDAERP COC[C@H](C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1)C(C)C ZINC000931074401 933502347 /nfs/dbraw/zinc/50/23/47/933502347.db2.gz FFUBYNMEMILUKA-HOTGVXAUSA-N 2 0 286.460 1.948 10 0 CDAERP C[C@H]1CC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCO1 ZINC000719784713 934860428 /nfs/dbraw/zinc/86/04/28/934860428.db2.gz YHMYJHXCFMVRAB-ZDUSSCGKSA-N 2 0 260.381 1.943 10 0 CDAERP C[C@@H]1CCC[N@@H+]1CCN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@H]21 ZINC000796781172 934988692 /nfs/dbraw/zinc/98/86/92/934988692.db2.gz LKFYHXCFHSFJIR-QKPAOTATSA-N 2 0 265.445 1.933 10 0 CDAERP C(C[N@H+]1C[C@H]2CC[C@@H](C1)O2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251214593 935011366 /nfs/dbraw/zinc/01/13/66/935011366.db2.gz LQNZHICFZKUXOD-LFAHVKQVSA-N 2 0 250.386 1.770 10 0 CDAERP COCCCC[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720816058 935250382 /nfs/dbraw/zinc/25/03/82/935250382.db2.gz MPYBPSJKCOVSCK-UWVGGRQHSA-N 2 0 254.296 1.482 10 0 CDAERP C([C@H]1C[C@H]2CCC[C@@H]2O1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000720883705 935265194 /nfs/dbraw/zinc/26/51/94/935265194.db2.gz YFUUNSMJVSCCNI-KBXIAJHMSA-N 2 0 250.386 1.629 10 0 CDAERP C[C@H](CC[NH2+]CCCF)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001568632974 1169408969 /nfs/dbraw/zinc/40/89/69/1169408969.db2.gz USNTWXLFEBNDQC-OCCSQVGLSA-N 2 0 285.407 1.172 10 0 CDAERP CC(C)(C)[NH2+]CC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC001413488339 936096740 /nfs/dbraw/zinc/09/67/40/936096740.db2.gz HGJOIXALYGXKCC-CQSZACIVSA-N 2 0 297.443 1.134 10 0 CDAERP C[C@H](CN[C@H]1C[C@H]([NH3+])C12CCC2)C[NH+]1CCCCC1 ZINC000405295918 940980371 /nfs/dbraw/zinc/98/03/71/940980371.db2.gz GRETZQYUIQYNRM-ILXRZTDVSA-N 2 0 265.445 1.968 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]CCC2CC2)C1 ZINC001277039784 941852684 /nfs/dbraw/zinc/85/26/84/941852684.db2.gz LLUPHEATVGBFMB-HDJSIYSDSA-N 2 0 267.417 1.223 10 0 CDAERP O=C(CC[N@H+]1CC[C@H](F)C1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC001362092195 970875514 /nfs/dbraw/zinc/87/55/14/970875514.db2.gz QBOIROAHSOLBOP-LSDHHAIUSA-N 2 0 297.418 1.507 10 0 CDAERP CC[N@H+]1CC=C(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001279696426 942402079 /nfs/dbraw/zinc/40/20/79/942402079.db2.gz YDNFPGSZBOWYIL-MRXNPFEDSA-N 2 0 293.455 1.875 10 0 CDAERP C[NH+](C)C1(C(=O)N2CC[C@H](CC[NH2+]CC3CC3)C2)CCC1 ZINC001280072289 942416337 /nfs/dbraw/zinc/41/63/37/942416337.db2.gz CWPNRKKFGVQCNR-HNNXBMFYSA-N 2 0 293.455 1.709 10 0 CDAERP CCCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001281672336 942607155 /nfs/dbraw/zinc/60/71/55/942607155.db2.gz AKTPJLWWJVOFIR-KGLIPLIRSA-N 2 0 269.433 1.707 10 0 CDAERP CCOCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@@H]1C ZINC001283881043 943018057 /nfs/dbraw/zinc/01/80/57/943018057.db2.gz JZAWBLFMKGLZKB-UKRRQHHQSA-N 2 0 297.443 1.086 10 0 CDAERP CCC[N@H+]1CC=C(CNC(=O)CC[NH+](C)C)CC1 ZINC001284960178 943301275 /nfs/dbraw/zinc/30/12/75/943301275.db2.gz SKDPMTMSWWMTPN-UHFFFAOYSA-N 2 0 253.390 1.096 10 0 CDAERP CC[NH+](CC)C1CCN(C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001649926893 1169505032 /nfs/dbraw/zinc/50/50/32/1169505032.db2.gz RNDGBAGUOHAKAL-KGLIPLIRSA-N 2 0 296.459 1.643 10 0 CDAERP C[N@@H+]1CCC[C@@H]2C[NH+](CC3CCC(O)CC3)CC[C@H]21 ZINC000389464198 944175756 /nfs/dbraw/zinc/17/57/56/944175756.db2.gz YZLACYRJTZOUTI-GYTBAZASSA-N 2 0 266.429 1.954 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CC1CC1 ZINC001265114919 944235414 /nfs/dbraw/zinc/23/54/14/944235414.db2.gz SKZDBJDPMCTZBR-MRXNPFEDSA-N 2 0 293.455 1.566 10 0 CDAERP CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001331345583 944523130 /nfs/dbraw/zinc/52/31/30/944523130.db2.gz FWTUFLFFPCWYMB-ZFWWWQNUSA-N 2 0 281.444 1.565 10 0 CDAERP CO[C@H](C)C[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001265845400 944537048 /nfs/dbraw/zinc/53/70/48/944537048.db2.gz MQAPKISAGQGFOQ-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](C[NH2+]CCCCCF)C2)C1 ZINC001266036791 944645757 /nfs/dbraw/zinc/64/57/57/944645757.db2.gz DJJYNWMHETWKGB-LSDHHAIUSA-N 2 0 299.434 1.516 10 0 CDAERP CCOCC[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001266120463 944694110 /nfs/dbraw/zinc/69/41/10/944694110.db2.gz ZQKBJQUHJWWYKO-OAHLLOKOSA-N 2 0 297.443 1.042 10 0 CDAERP C[C@@H](F)CC[NH2+]C/C=C/CNC(=O)C1CC[NH+](C)CC1 ZINC001568912949 1169546233 /nfs/dbraw/zinc/54/62/33/1169546233.db2.gz SWRRLSMFJLQXMP-ITDFMYJTSA-N 2 0 285.407 1.338 10 0 CDAERP CC(C)[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001479522851 971336629 /nfs/dbraw/zinc/33/66/29/971336629.db2.gz MIAXRZYBWPVSJA-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CCOCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001278379138 947350896 /nfs/dbraw/zinc/35/08/96/947350896.db2.gz RFAXDPCBJSQVPQ-KGLIPLIRSA-N 2 0 297.443 1.086 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001278527073 949742021 /nfs/dbraw/zinc/74/20/21/949742021.db2.gz OYVUAJANHDDTGM-KBPBESRZSA-N 2 0 269.433 1.707 10 0 CDAERP C[NH+](C)CC[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001362876783 971686512 /nfs/dbraw/zinc/68/65/12/971686512.db2.gz DGRJRLDAPIYHPH-AWEZNQCLSA-N 2 0 283.460 1.765 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+]Cc1ccsc1 ZINC001480564968 971786108 /nfs/dbraw/zinc/78/61/08/971786108.db2.gz GJHIIYPCTSLKLN-LBPRGKRZSA-N 2 0 283.441 1.684 10 0 CDAERP CCCCC[NH2+][C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001480592272 971797807 /nfs/dbraw/zinc/79/78/07/971797807.db2.gz YSVZRNCAKJLIAD-ZDUSSCGKSA-N 2 0 255.406 1.367 10 0 CDAERP O=C(CC[NH+]1CCCCC1)N1CC[C@@H](C[NH2+]CCCF)C1 ZINC001480679735 971835322 /nfs/dbraw/zinc/83/53/22/971835322.db2.gz CTFUNJBIAMKYME-HNNXBMFYSA-N 2 0 299.434 1.660 10 0 CDAERP C[NH+](C)C1(C(=O)N2CCC23CC[NH+](C)CC3)CCCC1 ZINC001364440206 954614991 /nfs/dbraw/zinc/61/49/91/954614991.db2.gz JVYNOEGGWAAHCA-UHFFFAOYSA-N 2 0 279.428 1.558 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC001327196340 954764891 /nfs/dbraw/zinc/76/48/91/954764891.db2.gz NJVUPJOHNNFCBH-RDBSUJKOSA-N 2 0 267.417 1.495 10 0 CDAERP CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001316663185 955063656 /nfs/dbraw/zinc/06/36/56/955063656.db2.gz DHUKSMLNGYLUMC-LSDHHAIUSA-N 2 0 293.455 1.757 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]C(C)C ZINC001491683833 955358327 /nfs/dbraw/zinc/35/83/27/955358327.db2.gz UWDQMBDXFAPLCW-QWHCGFSZSA-N 2 0 255.406 1.364 10 0 CDAERP C[C@@H](CN1CC[NH+](C(C)(C)C)CC1)C[NH+]1CCOCC1 ZINC001421487174 955369911 /nfs/dbraw/zinc/36/99/11/955369911.db2.gz SQMUOTPAQNUPES-HNNXBMFYSA-N 2 0 283.460 1.371 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@@H](C[NH2+]CCCC2CCC2)C1 ZINC001491831010 955456774 /nfs/dbraw/zinc/45/67/74/955456774.db2.gz DQIWIBMLXXHPMA-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CCC1 ZINC001421770979 955536784 /nfs/dbraw/zinc/53/67/84/955536784.db2.gz MIHJFEJRJQBLDY-CQSZACIVSA-N 2 0 299.434 1.705 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC2CC(C[NH2+]CCC3CC3)C2)C1 ZINC001328940271 955567938 /nfs/dbraw/zinc/56/79/38/955567938.db2.gz FLPVXOZZHQUZHI-QQFBHYJXSA-N 2 0 293.455 1.613 10 0 CDAERP C[C@@H](C[NH2+]C[C@H]1CCCCO1)N(C)C(=O)C[NH+]1CCCC1 ZINC001421983550 955688350 /nfs/dbraw/zinc/68/83/50/955688350.db2.gz BUPWJYYAAHDFNW-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001492293965 955815894 /nfs/dbraw/zinc/81/58/94/955815894.db2.gz SVGAGNSOHSCXPM-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP Cc1cccc(C[N@@H+](C)CCNC(=O)CC[NH+](C)C)c1 ZINC001492402796 955867656 /nfs/dbraw/zinc/86/76/56/955867656.db2.gz UYIQRCWNTSHQFK-UHFFFAOYSA-N 2 0 277.412 1.495 10 0 CDAERP CO[C@H]1CC[C@@H]([NH+]2CCC([NH2+]C3CCOCC3)CC2)C1 ZINC001365328187 955901941 /nfs/dbraw/zinc/90/19/41/955901941.db2.gz CGHNAALGMPLZSV-CVEARBPZSA-N 2 0 282.428 1.787 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)[C@H]1CCCCC[NH2+]1 ZINC001329759910 956100745 /nfs/dbraw/zinc/10/07/45/956100745.db2.gz MVKSXXAGHMRKOB-CQSZACIVSA-N 2 0 269.433 1.613 10 0 CDAERP CC[C@@H](C(=O)NCCC[N@H+](C)Cc1cnc(C)o1)[NH+](C)C ZINC001316850280 956285090 /nfs/dbraw/zinc/28/50/90/956285090.db2.gz DHUXFYKCMDOURS-AWEZNQCLSA-N 2 0 296.415 1.261 10 0 CDAERP CN(C[C@@H]1CC[N@@H+]1CCOC1CCC1)C(=O)CC[NH+](C)C ZINC001365792678 956366182 /nfs/dbraw/zinc/36/61/82/956366182.db2.gz RGLMKQFIPWEPEE-AWEZNQCLSA-N 2 0 297.443 1.040 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+]CC1CCC1)C1CC1 ZINC001423064862 956553211 /nfs/dbraw/zinc/55/32/11/956553211.db2.gz TVYWNTFUAJLLJH-OAHLLOKOSA-N 2 0 281.444 1.611 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001366122306 956582489 /nfs/dbraw/zinc/58/24/89/956582489.db2.gz DXPMCHRZUUGHLM-RBSFLKMASA-N 2 0 299.434 1.703 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1CC1CC(C)(C)C1 ZINC001423151358 956628398 /nfs/dbraw/zinc/62/83/98/956628398.db2.gz KSNUZIZWOKHQND-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001366224656 956646145 /nfs/dbraw/zinc/64/61/45/956646145.db2.gz HMNKBVQKTMZNBS-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP CCCC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001494330375 972209526 /nfs/dbraw/zinc/20/95/26/972209526.db2.gz LTKXXNLYTDLYEW-AWEZNQCLSA-N 2 0 269.433 1.707 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001366363745 956771388 /nfs/dbraw/zinc/77/13/88/956771388.db2.gz MFKMEBULJOBXPW-ZIAGYGMSSA-N 2 0 287.423 1.705 10 0 CDAERP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+](CCC(F)(F)F)C1 ZINC001423576942 956876250 /nfs/dbraw/zinc/87/62/50/956876250.db2.gz CLRXGVGCKLJKBP-GFCCVEGCSA-N 2 0 295.349 1.471 10 0 CDAERP CC(C)C[NH+]1CCC([C@@H](C)NC(=O)CC[NH+](C)C)CC1 ZINC001423647717 956917941 /nfs/dbraw/zinc/91/79/41/956917941.db2.gz BSQTUKLMXNIHPE-CQSZACIVSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@H+](C)C(C)C ZINC001331358181 956990428 /nfs/dbraw/zinc/99/04/28/956990428.db2.gz ASDCNZBFMTZMCX-AWEZNQCLSA-N 2 0 269.433 1.562 10 0 CDAERP C[C@H](C(=O)N(C)C[C@H](C)[NH2+]CCCO)[NH+]1CCCCCC1 ZINC001331576480 957146919 /nfs/dbraw/zinc/14/69/19/957146919.db2.gz OYAHRVSMVLMVCX-LSDHHAIUSA-N 2 0 299.459 1.070 10 0 CDAERP C[C@H](CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CCCO ZINC001331576477 957148592 /nfs/dbraw/zinc/14/85/92/957148592.db2.gz OYAHRVSMVLMVCX-CABCVRRESA-N 2 0 299.459 1.070 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001367022797 957348902 /nfs/dbraw/zinc/34/89/02/957348902.db2.gz IXZHUJUKLJVSOS-CHWSQXEVSA-N 2 0 273.396 1.265 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001367080532 957391835 /nfs/dbraw/zinc/39/18/35/957391835.db2.gz YUJCXHKDIVFCTO-KBPBESRZSA-N 2 0 287.423 1.609 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)C(C)C)[NH+](CC)CC ZINC001425005715 957431660 /nfs/dbraw/zinc/43/16/60/957431660.db2.gz BQCDACFOEOKXPW-ZIAGYGMSSA-N 2 0 271.449 1.952 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1C[N@H+](CC)CC1(C)C ZINC001425284715 957505730 /nfs/dbraw/zinc/50/57/30/957505730.db2.gz KJUCGMYUJGTKSW-OLZOCXBDSA-N 2 0 287.423 1.513 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC1C[NH+](CCC2CC2)C1 ZINC001494632461 972273216 /nfs/dbraw/zinc/27/32/16/972273216.db2.gz ILZSSACYDVINGX-UHFFFAOYSA-N 2 0 267.417 1.175 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC1C[NH+](CCC(C)(C)C)C1 ZINC001494633567 972273320 /nfs/dbraw/zinc/27/33/20/972273320.db2.gz SHWISJYQWIIJMW-UHFFFAOYSA-N 2 0 283.460 1.811 10 0 CDAERP Cc1ncc(C[NH2+][C@H](C)CN(C)C(=O)CC[NH+](C)C)s1 ZINC001425644209 957589682 /nfs/dbraw/zinc/58/96/82/957589682.db2.gz WRZBDKBMIGMCFA-LLVKDONJSA-N 2 0 298.456 1.340 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]C/C=C/Cl ZINC001367108519 957678062 /nfs/dbraw/zinc/67/80/62/957678062.db2.gz WZVIZQXCSGBKAK-ZYARKTQMSA-N 2 0 287.835 1.708 10 0 CDAERP CCN1CCO[C@H](C(=O)N[C@@H](C[NH2+]C(C)C)C(C)(C)C)C1 ZINC001426163412 957815756 /nfs/dbraw/zinc/81/57/56/957815756.db2.gz JORFWFOKUYSTOG-KBPBESRZSA-N 2 0 299.459 1.236 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H](C)C1CC[NH+](CCF)CC1 ZINC001426176371 957818848 /nfs/dbraw/zinc/81/88/48/957818848.db2.gz IVKNHRTYRXKIGG-CYBMUJFWSA-N 2 0 287.423 1.514 10 0 CDAERP CCC[NH2+][C@@H](CNC(=O)COC1CC[NH+](C)CC1)C(C)C ZINC001367487014 958049161 /nfs/dbraw/zinc/04/91/61/958049161.db2.gz NZASLUVTBAVVEO-HNNXBMFYSA-N 2 0 299.459 1.238 10 0 CDAERP CC1CC(C[N@H+](C)CCN(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001367546542 958128007 /nfs/dbraw/zinc/12/80/07/958128007.db2.gz TVLXOMMGUODKIM-UHFFFAOYSA-N 2 0 293.455 1.519 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001367960109 958517663 /nfs/dbraw/zinc/51/76/63/958517663.db2.gz PONFVHGRAHXEGE-GJZGRUSLSA-N 2 0 281.444 1.565 10 0 CDAERP COC[C@@H](C)[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001368011226 958576898 /nfs/dbraw/zinc/57/68/98/958576898.db2.gz CZAIHWCJSMWOLM-CYBMUJFWSA-N 2 0 297.443 1.134 10 0 CDAERP C[C@@H](F)CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001368017827 958580075 /nfs/dbraw/zinc/58/00/75/958580075.db2.gz WUXUIULUBOCDGQ-OLZOCXBDSA-N 2 0 285.407 1.457 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC2(C)CC[NH+](CC3CC3)CC2)C1 ZINC001368129038 958653864 /nfs/dbraw/zinc/65/38/64/958653864.db2.gz VVCUYFPCUYETQI-OAHLLOKOSA-N 2 0 293.455 1.709 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001569306341 1169756982 /nfs/dbraw/zinc/75/69/82/1169756982.db2.gz MGBZGDCIUGZBLU-KBPBESRZSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C[NH2+]CC1CC1 ZINC001368351472 958781969 /nfs/dbraw/zinc/78/19/69/958781969.db2.gz NGBWOXYNVIMZAW-HIFRSBDPSA-N 2 0 293.455 1.422 10 0 CDAERP CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1(C[NH+](C)C)CC1 ZINC001368389233 958805506 /nfs/dbraw/zinc/80/55/06/958805506.db2.gz BLDKPLHPZLMZPK-KBPBESRZSA-N 2 0 279.428 1.413 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)CCO1 ZINC001368509555 958910093 /nfs/dbraw/zinc/91/00/93/958910093.db2.gz KXXPVTVLLYTGNM-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP CN(CCC[N@H+](C)CC1CCOCC1)C(=O)CC[NH+](C)C ZINC001368555738 958962055 /nfs/dbraw/zinc/96/20/55/958962055.db2.gz WCGIRFSVLHAATH-UHFFFAOYSA-N 2 0 299.459 1.145 10 0 CDAERP C[C@@H](CC[NH2+]CC1CCC1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001320464177 959186668 /nfs/dbraw/zinc/18/66/68/959186668.db2.gz MYTKOVBVFIUKLR-DZGCQCFKSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CCF ZINC001371205389 972416674 /nfs/dbraw/zinc/41/66/74/972416674.db2.gz SSCIBBALFRAKJR-GXTWGEPZSA-N 2 0 285.407 1.457 10 0 CDAERP C[C@@H](CC[NH2+]Cc1ccns1)NC(=O)C[NH+]1CCCC1 ZINC001320640257 959291051 /nfs/dbraw/zinc/29/10/51/959291051.db2.gz OZRFWOHYQBXSLV-LBPRGKRZSA-N 2 0 296.440 1.223 10 0 CDAERP CCC[N@@H+]1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001369106160 959459822 /nfs/dbraw/zinc/45/98/22/959459822.db2.gz FZDSFQBTDQXGTN-KBPBESRZSA-N 2 0 283.460 1.809 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C1C[NH+](CC2CCC2)C1)[NH+](C)C ZINC001369155441 959489570 /nfs/dbraw/zinc/48/95/70/959489570.db2.gz MACYHBQKTALZQE-SWLSCSKDSA-N 2 0 281.444 1.563 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@H]2C[NH+](C(C)C)C[C@H]2C1 ZINC001369158138 959492603 /nfs/dbraw/zinc/49/26/03/959492603.db2.gz IOZZOUSBICBDJE-ARFHVFGLSA-N 2 0 295.471 1.952 10 0 CDAERP CCCCC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001569329106 1169768475 /nfs/dbraw/zinc/76/84/75/1169768475.db2.gz FXXOTXYGMURKFH-HUUCEWRRSA-N 2 0 281.444 1.613 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@]12CCC[C@@H]1[NH+](C(C)C)CC2 ZINC001369405471 959666629 /nfs/dbraw/zinc/66/66/29/959666629.db2.gz COJGVMJACMSGCO-GOEBONIOSA-N 2 0 281.444 1.850 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@](C)(C[NH2+]CCF)C1CC1 ZINC001495259389 972459166 /nfs/dbraw/zinc/45/91/66/972459166.db2.gz PSWOJDJZEJCRCT-GDBMZVCRSA-N 2 0 299.434 1.705 10 0 CDAERP C[C@@H](O)CCC[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001321947973 960028571 /nfs/dbraw/zinc/02/85/71/960028571.db2.gz VFUXFMIKCFUJJW-UONOGXRCSA-N 2 0 299.459 1.116 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](C)O2)C1 ZINC001370564948 960146542 /nfs/dbraw/zinc/14/65/42/960146542.db2.gz OFFKTJSDOULIJC-ZQDZILKHSA-N 2 0 297.443 1.131 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(F)cc1F ZINC001371356675 972484518 /nfs/dbraw/zinc/48/45/18/972484518.db2.gz XZBFEISSEKVRTP-NSHDSACASA-N 2 0 299.365 1.511 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnoc2C)C1)[NH+](C)C ZINC001370682141 960181138 /nfs/dbraw/zinc/18/11/38/960181138.db2.gz USIBLJQPBVJDQX-MJBXVCDLSA-N 2 0 294.399 1.060 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCC(F)(F)F)C1 ZINC001370738655 960190688 /nfs/dbraw/zinc/19/06/88/960190688.db2.gz YDBVYDYLFNWUDM-PHIMTYICSA-N 2 0 295.349 1.516 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+]3CCC[C@@H]3C2)CC[N@@H+]1C ZINC001433628223 960469321 /nfs/dbraw/zinc/46/93/21/960469321.db2.gz BHAOQHXLIRJQFV-QLFBSQMISA-N 2 0 279.428 1.413 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001418620851 960806481 /nfs/dbraw/zinc/80/64/81/960806481.db2.gz UIXSCNOTMJQEKV-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001419080987 961351612 /nfs/dbraw/zinc/35/16/12/961351612.db2.gz IYIOXQMZRNSICO-KGLIPLIRSA-N 2 0 287.423 1.513 10 0 CDAERP CCC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001419614172 961870810 /nfs/dbraw/zinc/87/08/10/961870810.db2.gz DIZPCIJAVSPAOO-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCF)[C@@H]1CC ZINC001436445421 962256415 /nfs/dbraw/zinc/25/64/15/962256415.db2.gz KTORYPGDNRROQU-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP CN(CC[N@H+](C)CC1CC1)C(=O)CC[C@H]1CCC[NH+]1C ZINC001419969842 962310589 /nfs/dbraw/zinc/31/05/89/962310589.db2.gz BRUJIVFVPJJKMO-OAHLLOKOSA-N 2 0 281.444 1.661 10 0 CDAERP CC[NH2+][C@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC001436807046 962431390 /nfs/dbraw/zinc/43/13/90/962431390.db2.gz MSTQBZICDXTSFY-CZUORRHYSA-N 2 0 299.434 1.703 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@H](F)CC)C1 ZINC001436977138 962538199 /nfs/dbraw/zinc/53/81/99/962538199.db2.gz SEEZIOZMIGSPCF-UPJWGTAASA-N 2 0 273.396 1.313 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001436976449 962538618 /nfs/dbraw/zinc/53/86/18/962538618.db2.gz ILJHIZAACMHVAV-SKYGUWNFSA-N 2 0 299.846 1.850 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1ncc(C)s1)[NH+](C)C ZINC001437175884 962701688 /nfs/dbraw/zinc/70/16/88/962701688.db2.gz WMRSPTUTQFUPBK-ZYHUDNBSSA-N 2 0 298.456 1.386 10 0 CDAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccns1 ZINC001437202267 962731282 /nfs/dbraw/zinc/73/12/82/962731282.db2.gz GKKCRECDKSEYGR-NEPJUHHUSA-N 2 0 296.440 1.079 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccsc1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001420405793 962866492 /nfs/dbraw/zinc/86/64/92/962866492.db2.gz SEOQJOAGOUAIEH-WCQYABFASA-N 2 0 281.425 1.437 10 0 CDAERP C[NH+](C)CC1(C(=O)NCC[N@H+](C)Cc2ccsc2)CC1 ZINC001437510691 962976684 /nfs/dbraw/zinc/97/66/84/962976684.db2.gz XHAQAORGFMUNFX-UHFFFAOYSA-N 2 0 295.452 1.638 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NCC[C@@H]2CC[NH+](CCF)C2)C1 ZINC001420882378 963329012 /nfs/dbraw/zinc/32/90/12/963329012.db2.gz ZJZKYPNRMVQNCI-UONOGXRCSA-N 2 0 285.407 1.126 10 0 CDAERP CC1CC(C[N@H+](C)C[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001420929973 963366262 /nfs/dbraw/zinc/36/62/62/963366262.db2.gz CYHPOSLZAMTXQJ-PCKAHOCUSA-N 2 0 295.471 1.765 10 0 CDAERP CC(C)[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cscn1 ZINC001438829478 963563329 /nfs/dbraw/zinc/56/33/29/963563329.db2.gz MDGXHDCDXQEMQD-CYBMUJFWSA-N 2 0 298.456 1.325 10 0 CDAERP C[C@@H](C[NH2+]CC1CCCC1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001439248461 963689631 /nfs/dbraw/zinc/68/96/31/963689631.db2.gz ZZPHFXKDWMJJRI-BBRMVZONSA-N 2 0 293.455 1.613 10 0 CDAERP C[C@@H](C[NH2+]CC1CCCC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001439268104 963695269 /nfs/dbraw/zinc/69/52/69/963695269.db2.gz GZGVDGGKALHJHL-DZGCQCFKSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)OCC[N@H+](C)C[C@@H](C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001439403061 963751525 /nfs/dbraw/zinc/75/15/25/963751525.db2.gz RZVVRFIGCYKBKC-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]Cc3ccsc3)CC2)C1 ZINC001439667759 963835769 /nfs/dbraw/zinc/83/57/69/963835769.db2.gz QXLLVCBKLWVTOX-ZDUSSCGKSA-N 2 0 293.436 1.438 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)Cc1cccnc1 ZINC001440916984 964256356 /nfs/dbraw/zinc/25/63/56/964256356.db2.gz RMQWDDQVOFSKHJ-HIFRSBDPSA-N 2 0 290.411 1.112 10 0 CDAERP CCC(CC)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001440917869 964259118 /nfs/dbraw/zinc/25/91/18/964259118.db2.gz SXDKORVXNIFYRU-ZFWWWQNUSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@H](NC(=O)CC[NH+](C)C)C1C[NH+](Cc2ccsc2)C1 ZINC001441183588 964410531 /nfs/dbraw/zinc/41/05/31/964410531.db2.gz UOJVPVXCSZSPER-LBPRGKRZSA-N 2 0 295.452 1.636 10 0 CDAERP CC(C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001441288541 964450786 /nfs/dbraw/zinc/45/07/86/964450786.db2.gz FDFPMQGDWZLZBJ-ZSOGYDGISA-N 2 0 279.428 1.031 10 0 CDAERP CCC[NH2+][C@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001441403983 964500376 /nfs/dbraw/zinc/50/03/76/964500376.db2.gz ONTNCCXKQQKDRG-RBSFLKMASA-N 2 0 283.460 1.857 10 0 CDAERP CC[C@H](F)C[NH2+][C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001441866722 964759333 /nfs/dbraw/zinc/75/93/33/964759333.db2.gz FXEXNHSJFQCTAO-STQMWFEESA-N 2 0 285.407 1.457 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)CC[NH+](C)C)C1 ZINC001441954467 964806530 /nfs/dbraw/zinc/80/65/30/964806530.db2.gz BRIXBENPZWYEJW-QWHCGFSZSA-N 2 0 255.406 1.032 10 0 CDAERP C[C@H](F)CC[N@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)C1CC1 ZINC001443036013 965327456 /nfs/dbraw/zinc/32/74/56/965327456.db2.gz VDPXBLQWQZWFPV-KBPBESRZSA-N 2 0 299.434 1.657 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccsc1)[NH+](C)C ZINC001444396659 965819435 /nfs/dbraw/zinc/81/94/35/965819435.db2.gz ACSDADFFXCIZBI-TZMCWYRMSA-N 2 0 297.468 1.930 10 0 CDAERP CC[NH2+]C[C@@H](C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001445433938 966196153 /nfs/dbraw/zinc/19/61/53/966196153.db2.gz JHSCEOIPDVNFPM-RISCZKNCSA-N 2 0 273.396 1.313 10 0 CDAERP C[C@H](C[NH2+]Cc1ccccc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001445477677 966206708 /nfs/dbraw/zinc/20/67/08/966206708.db2.gz ADKOJYCDJXUWBL-CQSZACIVSA-N 2 0 287.407 1.377 10 0 CDAERP C[C@H](C[N@H+](C)CCC(F)(F)F)NC(=O)[C@@H]1CCC[NH+]1C ZINC001445690165 966285665 /nfs/dbraw/zinc/28/56/65/966285665.db2.gz RUYQXXHJWQIACF-MNOVXSKESA-N 2 0 295.349 1.470 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC1CC1 ZINC001446323571 966512788 /nfs/dbraw/zinc/51/27/88/966512788.db2.gz RYAMOBFEFPGJNW-IYBDPMFKSA-N 2 0 293.455 1.804 10 0 CDAERP CCC[NH2+]CCN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC001350958559 966810723 /nfs/dbraw/zinc/81/07/23/966810723.db2.gz UIIKQMLISHASNE-HUUCEWRRSA-N 2 0 253.434 1.744 10 0 CDAERP CC(C)[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](C)CC[C@H](C)F ZINC001448142510 967011892 /nfs/dbraw/zinc/01/18/92/967011892.db2.gz IHJGUNWGKGIZAU-QWHCGFSZSA-N 2 0 275.412 1.511 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)C[C@@H]1CCCOC1 ZINC001448139683 967013734 /nfs/dbraw/zinc/01/37/34/967013734.db2.gz ACYMIVSDXGBIMF-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@@H](F)CC[NH+]1CC([C@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001448317363 967070878 /nfs/dbraw/zinc/07/08/78/967070878.db2.gz BSEYBXIMKFHMRS-OLZOCXBDSA-N 2 0 299.434 1.513 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCCC[NH+]2CCCC2)C1 ZINC001539096529 967081867 /nfs/dbraw/zinc/08/18/67/967081867.db2.gz GBSGLKHNOCWOFL-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C(C)C)[C@@H]2C1 ZINC001449036819 967344535 /nfs/dbraw/zinc/34/45/35/967344535.db2.gz IPTXLEBVHSXZIZ-XHSDSOJGSA-N 2 0 295.471 1.953 10 0 CDAERP CC[N@@H+]1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)[C@H](C)C1 ZINC001449330096 967433932 /nfs/dbraw/zinc/43/39/32/967433932.db2.gz FCJNCZIZXQHWJL-RBSFLKMASA-N 2 0 281.444 1.659 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C2CCC3(CC2)OCCO3)C1 ZINC000848559062 969174727 /nfs/dbraw/zinc/17/47/27/969174727.db2.gz UWLLEQVDRWSONJ-XBXGTLAGSA-N 2 0 268.401 1.602 10 0 CDAERP C([N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1([C@@H]2CCCCO2)CCC1 ZINC001459330798 969414699 /nfs/dbraw/zinc/41/46/99/969414699.db2.gz HOHCNWGPUUXAQD-ZNMIVQPWSA-N 2 0 264.413 1.877 10 0 CDAERP C[C@@H](CNC(=[NH2+])NC1CCCCC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000849047951 969435395 /nfs/dbraw/zinc/43/53/95/969435395.db2.gz AMHWGNZIOAXCIW-MELADBBJSA-N 2 0 296.459 1.931 10 0 CDAERP COCC[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+](C(C)C)C1 ZINC001464129487 969772864 /nfs/dbraw/zinc/77/28/64/969772864.db2.gz OZRPBWARNNVKBE-HNNXBMFYSA-N 2 0 299.459 1.191 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001464801470 969818067 /nfs/dbraw/zinc/81/80/67/969818067.db2.gz CGGSAZHROGYCFW-KFWWJZLASA-N 2 0 281.444 1.659 10 0 CDAERP CC[N@H+](C)[C@H]1CCN(C(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)C1 ZINC001413889537 970023264 /nfs/dbraw/zinc/02/32/64/970023264.db2.gz BHJJYPHJSAAKLD-KBPBESRZSA-N 2 0 296.459 1.595 10 0 CDAERP C[NH+](C)CCc1cccc(C(=O)NC(C)(C)C[NH+](C)C)c1 ZINC001468726304 970188289 /nfs/dbraw/zinc/18/82/89/970188289.db2.gz SDTRIEJUEBHWIW-UHFFFAOYSA-N 2 0 291.439 1.861 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC001361747530 970487327 /nfs/dbraw/zinc/48/73/27/970487327.db2.gz NIUBHIHWUKDMFM-GOEBONIOSA-N 2 0 291.439 1.993 10 0 CDAERP CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001495548328 972535052 /nfs/dbraw/zinc/53/50/52/972535052.db2.gz AGNJMVVIJYEHCO-KGLIPLIRSA-N 2 0 267.417 1.461 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]CCC1CC1 ZINC001495652685 972576638 /nfs/dbraw/zinc/57/66/38/972576638.db2.gz CTXQWLORBDFQFR-TZMCWYRMSA-N 2 0 267.417 1.223 10 0 CDAERP COCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001371679146 972589761 /nfs/dbraw/zinc/58/97/61/972589761.db2.gz VIWYCSOYWAAVPC-LSDHHAIUSA-N 2 0 297.443 1.040 10 0 CDAERP CCCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001495692481 972598428 /nfs/dbraw/zinc/59/84/28/972598428.db2.gz JMWLNVVBNDMNQA-KBPBESRZSA-N 2 0 269.433 1.613 10 0 CDAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CCF ZINC001495753490 972622153 /nfs/dbraw/zinc/62/21/53/972622153.db2.gz NTSKIFXITPGFAU-UONOGXRCSA-N 2 0 287.423 1.561 10 0 CDAERP CC(C)[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001496055100 972779492 /nfs/dbraw/zinc/77/94/92/972779492.db2.gz KVCCHSJKHNBPRL-KGLIPLIRSA-N 2 0 269.433 1.704 10 0 CDAERP CCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001496063044 972782557 /nfs/dbraw/zinc/78/25/57/972782557.db2.gz XVUWQECHCQFBKX-MGPQQGTHSA-N 2 0 269.433 1.563 10 0 CDAERP C[C@H](C[NH2+]CCCF)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001496104582 972795791 /nfs/dbraw/zinc/79/57/91/972795791.db2.gz WLUZNSAIAISVEA-CYBMUJFWSA-N 2 0 285.407 1.411 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)CC1CC1 ZINC001372152914 972819325 /nfs/dbraw/zinc/81/93/25/972819325.db2.gz GBQNARUATYKMRW-CABCVRRESA-N 2 0 279.428 1.461 10 0 CDAERP Cc1cc(C[N@H+](C)CCNC(=O)C[NH+]2CCCC2)cs1 ZINC001372225446 972855659 /nfs/dbraw/zinc/85/56/59/972855659.db2.gz RALMWVUOFWONHI-UHFFFAOYSA-N 2 0 295.452 1.700 10 0 CDAERP CN(CC[N@H+](C)CC1CC(F)(F)C1)C(=O)CC[NH+](C)C ZINC001496776763 973092333 /nfs/dbraw/zinc/09/23/33/973092333.db2.gz HWQGJFOMTGJJQW-UHFFFAOYSA-N 2 0 291.386 1.374 10 0 CDAERP C[NH+](C)[C@@H]1CCCN(C(=O)CC[N@@H+]2CC[C@H](F)C2)CC1 ZINC001417714154 973318747 /nfs/dbraw/zinc/31/87/47/973318747.db2.gz LIAVEIKNSAMVTH-UONOGXRCSA-N 2 0 285.407 1.363 10 0 CDAERP CCN(CC[NH2+]CC1CC1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001497383251 973325515 /nfs/dbraw/zinc/32/55/15/973325515.db2.gz HMZAURIIMDLZJN-TZMCWYRMSA-N 2 0 267.417 1.175 10 0 CDAERP CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CC2)C1)[NH+](C)C ZINC001417808763 973395770 /nfs/dbraw/zinc/39/57/70/973395770.db2.gz HGQRIVSYQVVRSA-RRFJBIMHSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)=CC[NH2+]C/C=C/CNC(=O)C[N@@H+](C)C1CCC1 ZINC001497600402 973428914 /nfs/dbraw/zinc/42/89/14/973428914.db2.gz ZXTNXPILMWQBJK-SNAWJCMRSA-N 2 0 279.428 1.699 10 0 CDAERP CC[C@H](C)C[NH2+]C/C=C\CNC(=O)C1CC[NH+](C)CC1 ZINC001497676035 973462242 /nfs/dbraw/zinc/46/22/42/973462242.db2.gz WANDLXFMWDWUSH-GXMNPTEKSA-N 2 0 281.444 1.636 10 0 CDAERP CC(C)C[NH2+]C/C=C/CNC(=O)C[NH+]1CCCC1 ZINC001497748907 973476918 /nfs/dbraw/zinc/47/69/18/973476918.db2.gz AKQCLUDLAUAKAH-ONEGZZNKSA-N 2 0 253.390 1.000 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001418040250 973544360 /nfs/dbraw/zinc/54/43/60/973544360.db2.gz AQKHQKVXJKQKIK-FRRDWIJNSA-N 2 0 273.396 1.265 10 0 CDAERP CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)[NH2+]Cc1cc(C)no1 ZINC001373760769 973626457 /nfs/dbraw/zinc/62/64/57/973626457.db2.gz IQLRSCNOGMRDLT-TZMCWYRMSA-N 2 0 296.415 1.308 10 0 CDAERP CC[C@H](C(=O)NC[C@H](CC)[NH2+]CC1CCOCC1)[NH+](C)C ZINC001373763122 973629144 /nfs/dbraw/zinc/62/91/44/973629144.db2.gz OTPXPSFNBRQIPN-LSDHHAIUSA-N 2 0 299.459 1.238 10 0 CDAERP CC(C)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001498248555 973779694 /nfs/dbraw/zinc/77/96/94/973779694.db2.gz SSTUDVUOONESNK-STQMWFEESA-N 2 0 255.406 1.173 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC2CC2)[C@@H](C)C1 ZINC001374388564 973916864 /nfs/dbraw/zinc/91/68/64/973916864.db2.gz WDYOPKKRQCENLN-DZGCQCFKSA-N 2 0 281.444 1.563 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CC1CC1)[NH+]1CCCC1 ZINC001498457728 973928206 /nfs/dbraw/zinc/92/82/06/973928206.db2.gz SUIIJRVVGVHXEK-HOCLYGCPSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccc(F)cc1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001374976739 974197153 /nfs/dbraw/zinc/19/71/53/974197153.db2.gz LXRHSFATUXEEBX-JSGCOSHPSA-N 2 0 293.386 1.372 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N1CCCCC[C@H]([NH2+]C[C@H](C)O)C1 ZINC001375651596 974445207 /nfs/dbraw/zinc/44/52/07/974445207.db2.gz PDOLKZHPHBYVGL-GJZGRUSLSA-N 2 0 299.459 1.068 10 0 CDAERP CN(C(=O)CC[NH+]1CCCCC1)C1C[NH+](CC2CCC2)C1 ZINC001375723655 974464493 /nfs/dbraw/zinc/46/44/93/974464493.db2.gz HYNMSQYEBGIITE-UHFFFAOYSA-N 2 0 293.455 1.805 10 0 CDAERP CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001375947797 974520700 /nfs/dbraw/zinc/52/07/00/974520700.db2.gz FLEZMROIOCYIRE-YQQAZPJKSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)=CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001501648250 974616194 /nfs/dbraw/zinc/61/61/94/974616194.db2.gz WMOAIMPKAUTCCV-JKSUJKDBSA-N 2 0 293.455 1.733 10 0 CDAERP Cc1nocc1C[NH2+]C1(CNC(=O)CC[NH+](C)C)CCC1 ZINC001376773562 974761966 /nfs/dbraw/zinc/76/19/66/974761966.db2.gz FTTKXCWNQBGWHH-UHFFFAOYSA-N 2 0 294.399 1.063 10 0 CDAERP CCCC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001502750076 974774661 /nfs/dbraw/zinc/77/46/61/974774661.db2.gz AEXLEFQAMJOFCA-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP CCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001377007194 974850770 /nfs/dbraw/zinc/85/07/70/974850770.db2.gz XEAFUSOMFXMURE-LSDHHAIUSA-N 2 0 281.444 1.661 10 0 CDAERP CC(C)OCC[NH2+][C@@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001505685947 974962222 /nfs/dbraw/zinc/96/22/22/974962222.db2.gz JYGLDTFTTZGSDQ-KBPBESRZSA-N 2 0 299.459 1.236 10 0 CDAERP CC[N@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)CC1CCCC1 ZINC001377334426 974977929 /nfs/dbraw/zinc/97/79/29/974977929.db2.gz DVIXADXCVGWGHK-OAHLLOKOSA-N 2 0 295.471 1.957 10 0 CDAERP CC[C@H](C)C[N@H+](CC)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001377334390 974978526 /nfs/dbraw/zinc/97/85/26/974978526.db2.gz DIBKLALZPDURKD-GJZGRUSLSA-N 2 0 283.460 1.812 10 0 CDAERP CC[C@H](F)CN1CCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001377399868 975006767 /nfs/dbraw/zinc/00/67/67/975006767.db2.gz PZCAYQCOQKDOBQ-UONOGXRCSA-N 2 0 299.434 1.799 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C(C)C)C2CC2)CC[N@@H+]1C ZINC001377522528 975063607 /nfs/dbraw/zinc/06/36/07/975063607.db2.gz HOGJRGAALNSAKK-LSDHHAIUSA-N 2 0 281.444 1.706 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@H]([NH2+]CC[C@H](C)F)C1)[NH+](C)C ZINC001377799835 975142335 /nfs/dbraw/zinc/14/23/35/975142335.db2.gz VFFSPLVWLMFEHD-MELADBBJSA-N 2 0 287.423 1.655 10 0 CDAERP CCC[NH2+]CC1(NC(=O)[C@H]2CN(C)CCO2)CCCCC1 ZINC001506501152 975170005 /nfs/dbraw/zinc/17/00/05/975170005.db2.gz SYTHMVDUTUYXIF-CQSZACIVSA-N 2 0 297.443 1.136 10 0 CDAERP O=C(C[NH+]1CCCC1)NCC1C[NH+](CCC2CCCC2)C1 ZINC001378029833 975211322 /nfs/dbraw/zinc/21/13/22/975211322.db2.gz YVNFVSGDHWSUEW-UHFFFAOYSA-N 2 0 293.455 1.711 10 0 CDAERP CC(C)[C@H](C(=O)NC[C@@H](C)[N@H+](C)CCC1CC1)[NH+](C)C ZINC001378128828 975252982 /nfs/dbraw/zinc/25/29/82/975252982.db2.gz FIVLLTSTVKJQCC-UKRRQHHQSA-N 2 0 283.460 1.809 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001378510789 975370342 /nfs/dbraw/zinc/37/03/42/975370342.db2.gz HIWCUTUHNPTQIV-RRFJBIMHSA-N 2 0 281.444 1.707 10 0 CDAERP CCCN(C(=O)C[NH+]1CC[C@@H](C)C1)[C@H]1CC[N@H+](CC)C1 ZINC001404427703 975387240 /nfs/dbraw/zinc/38/72/40/975387240.db2.gz NJJXFSWTEPNQGK-CABCVRRESA-N 2 0 281.444 1.661 10 0 CDAERP C[C@H]1C[C@H]([NH2+]Cc2ccccc2)CN1C(=O)CC[NH+](C)C ZINC001507318128 975413461 /nfs/dbraw/zinc/41/34/61/975413461.db2.gz IBPKKYCESMIWFI-HOCLYGCPSA-N 2 0 289.423 1.717 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001405031201 975600068 /nfs/dbraw/zinc/60/00/68/975600068.db2.gz BVIXGFOJWGSNAF-HNNXBMFYSA-N 2 0 295.471 1.953 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC[C@@H](C)F)[C@@H]1C ZINC001397799684 975726779 /nfs/dbraw/zinc/72/67/79/975726779.db2.gz DEVFQXOAILLQRO-MCIONIFRSA-N 2 0 287.423 1.655 10 0 CDAERP COC[C@H](C)[NH2+]CC[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001405478858 975755179 /nfs/dbraw/zinc/75/51/79/975755179.db2.gz IIFVCMGAXXNVNP-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccc(F)cc1)NC(=O)CC[NH+](C)C ZINC001401700355 975804098 /nfs/dbraw/zinc/80/40/98/975804098.db2.gz QNAVJFNMBZEOIU-LBPRGKRZSA-N 2 0 281.375 1.372 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CC12CC[NH+](CCCF)CC2 ZINC001389517786 975882201 /nfs/dbraw/zinc/88/22/01/975882201.db2.gz FYIVITPQKZEAPD-CYBMUJFWSA-N 2 0 285.407 1.268 10 0 CDAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC1CCC1 ZINC001379505078 975893717 /nfs/dbraw/zinc/89/37/17/975893717.db2.gz BPBSSHPXSUFBIK-ZFWWWQNUSA-N 2 0 281.444 1.754 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccccc1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001379517130 975902129 /nfs/dbraw/zinc/90/21/29/975902129.db2.gz WCQQNLFVCCFMAU-SQWLQELKSA-N 2 0 289.423 1.621 10 0 CDAERP C[C@H](C[NH2+]Cc1ccccc1)N(C)C(=O)CC[NH+](C)C ZINC001405859647 975910684 /nfs/dbraw/zinc/91/06/84/975910684.db2.gz YPYLJNMXBKFRKP-CQSZACIVSA-N 2 0 277.412 1.575 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+]2CC2CCC2)C1 ZINC001401924529 976012517 /nfs/dbraw/zinc/01/25/17/976012517.db2.gz UHXFEAGDRSYCAR-UKRRQHHQSA-N 2 0 279.428 1.319 10 0 CDAERP CCC[N@@H+]1CCC[C@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001402222647 976186608 /nfs/dbraw/zinc/18/66/08/976186608.db2.gz KAISENWCPVFHBR-MRXNPFEDSA-N 2 0 281.444 1.711 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001402231249 976188515 /nfs/dbraw/zinc/18/85/15/976188515.db2.gz NGYLWBMZURBCLP-AWEZNQCLSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H](F)CC[NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001402358984 976248750 /nfs/dbraw/zinc/24/87/50/976248750.db2.gz IPISQTSIKWPZJK-OCCSQVGLSA-N 2 0 297.418 1.315 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccns1 ZINC001398961432 976268189 /nfs/dbraw/zinc/26/81/89/976268189.db2.gz RPGUBHHLLUOSPA-WCQYABFASA-N 2 0 296.440 1.222 10 0 CDAERP C[NH+](C)CCCC(=O)N1CC[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001399189461 976379761 /nfs/dbraw/zinc/37/97/61/976379761.db2.gz UHLKFBKOAFYCEU-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CCF ZINC001390726887 976459396 /nfs/dbraw/zinc/45/93/96/976459396.db2.gz GURIJACIONOGAF-STQMWFEESA-N 2 0 273.396 1.315 10 0 CDAERP Cc1nc(C[NH2+][C@@H](C)CCNC(=O)CC[NH+](C)C)cs1 ZINC001399378620 976464209 /nfs/dbraw/zinc/46/42/09/976464209.db2.gz UPDMKUZWXMXJQB-NSHDSACASA-N 2 0 298.456 1.388 10 0 CDAERP C[C@H](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccon1 ZINC001399411523 976473130 /nfs/dbraw/zinc/47/31/30/976473130.db2.gz DTXYTFIEFOQSNZ-OLZOCXBDSA-N 2 0 294.399 1.001 10 0 CDAERP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]CCC(C)(C)C ZINC001402787990 976480273 /nfs/dbraw/zinc/48/02/73/976480273.db2.gz ODOZFSUVPYALAP-GJZGRUSLSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H]([NH2+]CCF)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001380669776 976508409 /nfs/dbraw/zinc/50/84/09/976508409.db2.gz QTDQYHDDKGTWRK-ZIAGYGMSSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)[N@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001380969892 976635098 /nfs/dbraw/zinc/63/50/98/976635098.db2.gz IAONEEPMKVKBKI-GJZGRUSLSA-N 2 0 283.460 1.905 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001399921199 976747792 /nfs/dbraw/zinc/74/77/92/976747792.db2.gz YQBQSASKYYLUHA-KBPBESRZSA-N 2 0 299.434 1.657 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H]([C@@H]2CC[N@H+](CCF)C2)C1 ZINC001381316786 976757536 /nfs/dbraw/zinc/75/75/36/976757536.db2.gz YTMVZNGJTPLDJN-HUUCEWRRSA-N 2 0 299.434 1.468 10 0 CDAERP CC[C@H](C(=O)NCC[C@H]1CC[N@H+](CC)C1)[NH+](CC)CC ZINC001391320535 976813229 /nfs/dbraw/zinc/81/32/29/976813229.db2.gz BIMKHXVMYVJMNX-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H](NC(=O)CCC[NH+]1CCCC1)[C@H](C)[NH2+]CCF ZINC001381443320 976826511 /nfs/dbraw/zinc/82/65/11/976826511.db2.gz DXKRWTGZEAUMOP-STQMWFEESA-N 2 0 273.396 1.315 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ocnc1C ZINC001381449225 976831839 /nfs/dbraw/zinc/83/18/39/976831839.db2.gz YDFGFSVVOGQSMJ-RYUDHWBXSA-N 2 0 296.415 1.308 10 0 CDAERP CO[C@@H](C)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001391370280 976839700 /nfs/dbraw/zinc/83/97/00/976839700.db2.gz BBKCDGWJHJAQPD-KKUMJFAQSA-N 2 0 297.443 1.086 10 0 CDAERP CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC[NH+](C)C)C2 ZINC001408018687 976868936 /nfs/dbraw/zinc/86/89/36/976868936.db2.gz WIHDEBXEPTWSKE-MRXNPFEDSA-N 2 0 281.444 1.663 10 0 CDAERP CC[C@@H](C)C[N@H+](C)C1CCN(C(=O)Cc2ncc[nH]2)CC1 ZINC001403471684 976973186 /nfs/dbraw/zinc/97/31/86/976973186.db2.gz WTDSOISLFSKPBR-CYBMUJFWSA-N 2 0 292.427 1.921 10 0 CDAERP CCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@H+](CCCF)C1 ZINC001391658067 977022265 /nfs/dbraw/zinc/02/22/65/977022265.db2.gz NZMIPCPANBZPBM-AWEZNQCLSA-N 2 0 287.423 1.609 10 0 CDAERP C[C@@H](c1ccccc1)[NH+]1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001400531347 977080783 /nfs/dbraw/zinc/08/07/83/977080783.db2.gz WNTCBXNBRPUBNK-AWEZNQCLSA-N 2 0 289.423 1.747 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC2CC2)CC[N@@H+]1C ZINC001382062079 977149539 /nfs/dbraw/zinc/14/95/39/977149539.db2.gz ALLANSHNGGOXSO-AEGPPILISA-N 2 0 281.444 1.563 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH2+]CC3CC3)CCCC2)C1 ZINC001392025030 977184957 /nfs/dbraw/zinc/18/49/57/977184957.db2.gz UUEKJSDSHHHGCX-OAHLLOKOSA-N 2 0 293.455 1.757 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)Cc1cccc(F)c1 ZINC001403791972 977191685 /nfs/dbraw/zinc/19/16/85/977191685.db2.gz QZMVVACQOJKQHK-UHFFFAOYSA-N 2 0 295.402 1.714 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]C[C@H](C)OC)C(C)(C)C1 ZINC001403831828 977220510 /nfs/dbraw/zinc/22/05/10/977220510.db2.gz TVYNUACJINTBED-KBPBESRZSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001403861209 977233342 /nfs/dbraw/zinc/23/33/42/977233342.db2.gz BEBYZKRFDRSWCE-CABCVRRESA-N 2 0 299.459 1.068 10 0 CDAERP CC[NH2+]CC1(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CCCC1 ZINC001400972747 977256773 /nfs/dbraw/zinc/25/67/73/977256773.db2.gz PENCRBPOMWABFB-ZIAGYGMSSA-N 2 0 281.444 1.898 10 0 CDAERP O=C(C[NH+]1CCCC1)NC1(C[NH2+]CC2CCC2)CCCC1 ZINC001400973822 977257594 /nfs/dbraw/zinc/25/75/94/977257594.db2.gz QBXBHHGXUZMTAH-UHFFFAOYSA-N 2 0 293.455 1.901 10 0 CDAERP CN(CC[N@H+](C)CCc1ccccc1)C(=O)CC[NH+](C)C ZINC001392303058 977397887 /nfs/dbraw/zinc/39/78/87/977397887.db2.gz KHZCSIVNGLXAMZ-UHFFFAOYSA-N 2 0 291.439 1.571 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001392518811 977469993 /nfs/dbraw/zinc/46/99/93/977469993.db2.gz AMOACKAYMNIOBA-KGLIPLIRSA-N 2 0 287.423 1.561 10 0 CDAERP CC[C@H](C[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1)OC ZINC001392582948 977495564 /nfs/dbraw/zinc/49/55/64/977495564.db2.gz LXSCPYTYUVXORI-UONOGXRCSA-N 2 0 299.459 1.380 10 0 CDAERP C[C@H](C[N@H+](C)Cc1ccccn1)NC(=O)C[NH+]1CCCC1 ZINC001392720474 977569760 /nfs/dbraw/zinc/56/97/60/977569760.db2.gz CRPCLMQWMDOJIR-CQSZACIVSA-N 2 0 290.411 1.114 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CC1CC1 ZINC001392740855 977579101 /nfs/dbraw/zinc/57/91/01/977579101.db2.gz YUDGXWRMOXGOAW-LSDHHAIUSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@H](F)CC[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001393414082 977782920 /nfs/dbraw/zinc/78/29/20/977782920.db2.gz DEGCBHJFHZVVOR-MELADBBJSA-N 2 0 285.407 1.076 10 0 CDAERP CC1CC(C[NH2+]C2(CNC(=O)C[NH+]3CCCC3)CCC2)C1 ZINC001393570143 977841017 /nfs/dbraw/zinc/84/10/17/977841017.db2.gz OMKLHMHBMLLRSW-UHFFFAOYSA-N 2 0 293.455 1.757 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001393646087 977879791 /nfs/dbraw/zinc/87/97/91/977879791.db2.gz WQFSLNCLPXRILV-CQSZACIVSA-N 2 0 287.423 1.611 10 0 CDAERP CCC1([NH2+]CC2CC2)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001393660685 977887403 /nfs/dbraw/zinc/88/74/03/977887403.db2.gz UKSSFNOONBAMFS-HNNXBMFYSA-N 2 0 293.455 1.851 10 0 CDAERP CC(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001394302929 978129028 /nfs/dbraw/zinc/12/90/28/978129028.db2.gz AGKSTSFNNADHSA-QKDCVEJESA-N 2 0 293.455 1.278 10 0 CDAERP C[C@@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC1CCCC1 ZINC001394542265 978198776 /nfs/dbraw/zinc/19/87/76/978198776.db2.gz UCKSFEUDJGXBCQ-GOEBONIOSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@@]12CCC[C@H]1[NH+](CCF)CC2 ZINC001394681791 978228048 /nfs/dbraw/zinc/22/80/48/978228048.db2.gz DJEOZXKWXQTILM-GDBMZVCRSA-N 2 0 299.434 1.801 10 0 CDAERP CC1(C)[C@@H](O)CC[NH+]1CCC[N@H+]1CC[C@H](O)C1(C)C ZINC000812866220 1163752075 /nfs/dbraw/zinc/75/20/75/1163752075.db2.gz ZNVNFKAUHFFBFA-STQMWFEESA-N 2 0 270.417 1.067 10 0 CDAERP COCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001674727895 1173998627 /nfs/dbraw/zinc/99/86/27/1173998627.db2.gz BPHDZMFJQYVQPS-QWHCGFSZSA-N 2 0 287.448 1.094 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091360739 1174269772 /nfs/dbraw/zinc/26/97/72/1174269772.db2.gz LPUDYFXVGZDQLP-QPSCCSFWSA-N 2 0 281.444 1.754 10 0 CDAERP CC[NH2+]CC[C@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001570004514 1170057512 /nfs/dbraw/zinc/05/75/12/1170057512.db2.gz KCTXPWWWLWCREE-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NC1(C[NH2+]CCCF)CCCCC1 ZINC001570793202 1170281248 /nfs/dbraw/zinc/28/12/48/1170281248.db2.gz IAJWBPYZUWCLBQ-AWEZNQCLSA-N 2 0 299.434 1.849 10 0 CDAERP CO[C@H](C)C[NH2+]CCC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001571304906 1170362516 /nfs/dbraw/zinc/36/25/16/1170362516.db2.gz QJYMXFYMTSLKPR-UONOGXRCSA-N 2 0 299.459 1.238 10 0 CDAERP CCC[NH2+][C@H]1CCCCCN(C(=O)CC[NH+](C)C)C1 ZINC001656900146 1171895534 /nfs/dbraw/zinc/89/55/34/1171895534.db2.gz YWYMSDYNNVSYMX-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP CSC1(C[NH2+]Cc2cnc(C)o2)CC[NH+](C)CC1 ZINC000600166089 341982095 /nfs/dbraw/zinc/98/20/95/341982095.db2.gz VQJALACXEHMEHC-UHFFFAOYSA-N 2 0 269.414 1.900 10 0 CDAERP C[NH+](C)CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000253626548 282085070 /nfs/dbraw/zinc/08/50/70/282085070.db2.gz XNBKMKLZCSURPX-KFWWJZLASA-N 2 0 254.418 1.954 10 0 CDAERP CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@@H]2CCC[N@H+](C)C2)C1 ZINC000601270435 342547702 /nfs/dbraw/zinc/54/77/02/342547702.db2.gz RKMOTKXIKOOGAH-ZIAGYGMSSA-N 2 0 282.432 1.253 10 0 CDAERP [NH3+]CC1(CC[NH2+]Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000650712356 398154851 /nfs/dbraw/zinc/15/48/51/398154851.db2.gz BKEVKFGKAGOWAO-UHFFFAOYSA-N 2 0 289.358 1.625 10 0 CDAERP CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650755433 398180178 /nfs/dbraw/zinc/18/01/78/398180178.db2.gz FCPVROPREMMKJA-ZDUSSCGKSA-N 2 0 279.359 1.431 10 0 CDAERP C[C@H]1C[C@H]([NH2+]CCN2CC[C@H](O)C2)CC(C)(C)C1 ZINC000623836969 342045993 /nfs/dbraw/zinc/04/59/93/342045993.db2.gz RTKLBOUVAYTMRL-IHRRRGAJSA-N 2 0 254.418 1.857 10 0 CDAERP C[NH+](C)C1(CNC(=O)C[C@H]2CCC[NH2+]C2)CCCC1 ZINC000132468437 342069656 /nfs/dbraw/zinc/06/96/56/342069656.db2.gz SPEGKCQHTQZZPO-CYBMUJFWSA-N 2 0 267.417 1.367 10 0 CDAERP COC[C@H](C)C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000188000576 342173421 /nfs/dbraw/zinc/17/34/21/342173421.db2.gz RHHKTKWUJNQZNU-ZIAGYGMSSA-N 2 0 270.417 1.359 10 0 CDAERP CSCC[C@H]([NH3+])C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000592958331 342750420 /nfs/dbraw/zinc/75/04/20/342750420.db2.gz CIVKSJIOFPTYMQ-LBPRGKRZSA-N 2 0 291.380 1.286 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1ccccc1OC(F)F ZINC000629398772 361933023 /nfs/dbraw/zinc/93/30/23/361933023.db2.gz YPYWOSMJVOBZQT-UHFFFAOYSA-N 2 0 274.311 1.743 10 0 CDAERP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]CCOCCC[NH3+] ZINC000629399595 361936840 /nfs/dbraw/zinc/93/68/40/361936840.db2.gz VOELAMAKCCKUME-LBPRGKRZSA-N 2 0 297.374 1.498 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@]1(N(C)C)CCC[C@H](C)C1 ZINC000300159711 293096521 /nfs/dbraw/zinc/09/65/21/293096521.db2.gz SCJPDNMZLZQSFI-JYJNAYRXSA-N 2 0 285.476 1.840 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN[C@H]1CC[C@H](C)[NH2+]C1 ZINC000629416660 361975148 /nfs/dbraw/zinc/97/51/48/361975148.db2.gz TUFJJXRYESIMCV-WFASDCNBSA-N 2 0 285.395 1.806 10 0 CDAERP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000333731088 539054829 /nfs/dbraw/zinc/05/48/29/539054829.db2.gz WEHJBOZEDJEFNH-SWLSCSKDSA-N 2 0 294.443 1.301 10 0 CDAERP CCOC(=O)C1([C@@H](C)N[C@@H]2CC[NH2+][C@H]2CC)CC[NH2+]CC1 ZINC000600710378 342243716 /nfs/dbraw/zinc/24/37/16/342243716.db2.gz NVUHFNYOAFOPAE-HZSPNIEDSA-N 2 0 297.443 1.038 10 0 CDAERP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)[C@H]1C ZINC000600713344 342243997 /nfs/dbraw/zinc/24/39/97/342243997.db2.gz HUHVKTIZFAHWGV-PJSNJIKXSA-N 2 0 254.374 1.304 10 0 CDAERP C[C@@H]([NH2+]CCNC(=O)c1ccccc1)C1CC[NH+](C)CC1 ZINC000162553253 539120951 /nfs/dbraw/zinc/12/09/51/539120951.db2.gz CKCKAKWLEQKYPF-CQSZACIVSA-N 2 0 289.423 1.736 10 0 CDAERP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cccc2cnccc21 ZINC000181542041 539140937 /nfs/dbraw/zinc/14/09/37/539140937.db2.gz ZEQCAWJYGWTBBZ-MRXNPFEDSA-N 2 0 273.380 1.637 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000594936794 342977420 /nfs/dbraw/zinc/97/74/20/342977420.db2.gz DQIMYCJXUDGQRY-BFHYXJOUSA-N 2 0 282.428 1.896 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000594926603 342973585 /nfs/dbraw/zinc/97/35/85/342973585.db2.gz UJXFKDYQMRAWAD-IGQOVBAYSA-N 2 0 268.401 1.506 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000594932506 342976020 /nfs/dbraw/zinc/97/60/20/342976020.db2.gz RBIAXXHWJKZQKO-BFHYXJOUSA-N 2 0 298.427 1.009 10 0 CDAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)CSCCF ZINC000595032926 342997441 /nfs/dbraw/zinc/99/74/41/342997441.db2.gz NEUIFKOXOQZNES-ZIAGYGMSSA-N 2 0 291.480 1.693 10 0 CDAERP CSCC[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000171631223 362026251 /nfs/dbraw/zinc/02/62/51/362026251.db2.gz KPPRCRWULSSPNM-GFCCVEGCSA-N 2 0 260.447 1.374 10 0 CDAERP C[C@H]([NH2+]CC1([NH3+])CCOCC1)C1CCSCC1 ZINC000629521316 362135415 /nfs/dbraw/zinc/13/54/15/362135415.db2.gz PTILQPZPMAEBFL-NSHDSACASA-N 2 0 258.431 1.616 10 0 CDAERP CCO[C@H](C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)C1CC1 ZINC000629519897 362138871 /nfs/dbraw/zinc/13/88/71/362138871.db2.gz SAHACBNJBWYBCX-ZQDZILKHSA-N 2 0 252.402 1.861 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000629528873 362155180 /nfs/dbraw/zinc/15/51/80/362155180.db2.gz LVLJGYQLBPAKCM-VIFPVBQESA-N 2 0 276.302 1.991 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](c1ncc[nH]1)C1CCCCC1 ZINC000629530985 362160241 /nfs/dbraw/zinc/16/02/41/362160241.db2.gz WVGKTCRYMVAORR-AWEZNQCLSA-N 2 0 280.416 1.857 10 0 CDAERP CCOCCC[N@@H+]1CC[C@@H](N[C@@H]2CC[NH2+][C@H]2CC)[C@H](C)C1 ZINC000629526530 362147202 /nfs/dbraw/zinc/14/72/02/362147202.db2.gz XSVDXICOAYZLON-YYIAUSFCSA-N 2 0 297.487 1.854 10 0 CDAERP CN1CCN(C(=O)C[N@@H+]2CCC[C@@H]2CC(C)(C)C)CC1 ZINC000093168893 342424219 /nfs/dbraw/zinc/42/42/19/342424219.db2.gz AQXTYKYVZDNXTJ-CQSZACIVSA-N 2 0 281.444 1.661 10 0 CDAERP COC(=O)CC(C)(C)C[C@H](C)[NH2+]CCN1CC[C@@H](O)C1 ZINC000599085445 343951221 /nfs/dbraw/zinc/95/12/21/343951221.db2.gz QXSYTYQYTPPWLK-QWHCGFSZSA-N 2 0 286.416 1.011 10 0 CDAERP Cc1nc(C)c(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)o1 ZINC000628217041 362278247 /nfs/dbraw/zinc/27/82/47/362278247.db2.gz IKUSXRYZOVYYCM-AWEZNQCLSA-N 2 0 281.400 1.618 10 0 CDAERP C[N@H+](CCCC[NH+]1CCCCC1)C[C@]1(O)CCCOC1 ZINC000640535073 362405552 /nfs/dbraw/zinc/40/55/52/362405552.db2.gz ZUGLYAGGUVPRTO-MRXNPFEDSA-N 2 0 284.444 1.726 10 0 CDAERP C[C@@]1(C(=O)NC2CCN(c3ccccn3)CC2)CCC[NH2+]1 ZINC000079513100 362645012 /nfs/dbraw/zinc/64/50/12/362645012.db2.gz QEFAVAUZJJSEJJ-INIZCTEOSA-N 2 0 288.395 1.309 10 0 CDAERP C[C@]1(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000079514712 362646357 /nfs/dbraw/zinc/64/63/57/362646357.db2.gz GKLPOQRHBBGJFA-NVXWUHKLSA-N 2 0 287.407 1.519 10 0 CDAERP COC(=O)[C@H]1CCC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000167552009 362638672 /nfs/dbraw/zinc/63/86/72/362638672.db2.gz APZHJEHBZAQOSQ-UONOGXRCSA-N 2 0 268.401 1.746 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+][C@H]1c2ccccc2CN(C)C1=O ZINC000623240253 345743423 /nfs/dbraw/zinc/74/34/23/345743423.db2.gz FICSQWYKGDZUEI-DOMZBBRYSA-N 2 0 275.396 1.807 10 0 CDAERP C[C@@H](C[C@@](C)(O)C[NH3+])[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000085300353 179010690 /nfs/dbraw/zinc/01/06/90/179010690.db2.gz QPVNHZZFBXFJKJ-BYNSBNAKSA-N 2 0 254.418 1.987 10 0 CDAERP C[C@](O)(C[NH3+])CCC[NH+]1CCc2ccccc2CC1 ZINC000085302016 179011566 /nfs/dbraw/zinc/01/15/66/179011566.db2.gz HMOAPNQKEGLRDD-MRXNPFEDSA-N 2 0 262.397 1.577 10 0 CDAERP C[NH+]1CC[C@H](NC[C@@H]2CCC[N@@H+](C)C2)CC1(C)C ZINC000623410996 346250398 /nfs/dbraw/zinc/25/03/98/346250398.db2.gz PKJVDGXKANSWRW-KBPBESRZSA-N 2 0 253.434 1.791 10 0 CDAERP [NH3+][C@H]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000085362449 179034297 /nfs/dbraw/zinc/03/42/97/179034297.db2.gz YXEKDQDDKACQLG-OAGGEKHMSA-N 2 0 287.407 1.505 10 0 CDAERP C[NH+](C)C[C@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000085370824 179040793 /nfs/dbraw/zinc/04/07/93/179040793.db2.gz TVZGEGXSEWGIIF-ILXRZTDVSA-N 2 0 275.396 1.533 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1CCCCN1CCO)[C@@H]1CCCOC1 ZINC000449396876 362692222 /nfs/dbraw/zinc/69/22/22/362692222.db2.gz MXSAYOJEJMDJPT-ZNMIVQPWSA-N 2 0 270.417 1.238 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(C[NH3+])o1 ZINC000164989316 482558599 /nfs/dbraw/zinc/55/85/99/482558599.db2.gz YTPHLORORSFVQI-LLVKDONJSA-N 2 0 265.357 1.343 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)n1cnc2c1CC[NH2+]C2 ZINC000085567454 179094979 /nfs/dbraw/zinc/09/49/79/179094979.db2.gz KJXDWKQHPOTSKU-LBPRGKRZSA-N 2 0 250.390 1.678 10 0 CDAERP Cc1nccn1CC[N@H+]1C[C@@H](C2CC2)[NH2+]CC[C@@H]1C ZINC000085626440 179107279 /nfs/dbraw/zinc/10/72/79/179107279.db2.gz PUFBFEQJMCIGRU-WFASDCNBSA-N 2 0 262.401 1.654 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](C[C@@](C)(O)C(C)=O)CC1 ZINC000450264968 362807724 /nfs/dbraw/zinc/80/77/24/362807724.db2.gz VVZCLTPACQHSPN-OAHLLOKOSA-N 2 0 270.417 1.380 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CC23CC[NH2+]CC3)CC[N@@H+]1C ZINC000612973837 347350876 /nfs/dbraw/zinc/35/08/76/347350876.db2.gz MSRUUSZFJQQFQT-MGPQQGTHSA-N 2 0 294.443 1.253 10 0 CDAERP CC(C)(C)[C@H]1CN([C@@H]2C[NH+]3CCC2CC3)CC[NH2+]1 ZINC000086124881 179235891 /nfs/dbraw/zinc/23/58/91/179235891.db2.gz QGZQBFBRSICSOJ-ZIAGYGMSSA-N 2 0 251.418 1.401 10 0 CDAERP CC(C)[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)[C@@H](C)CN1 ZINC000086173668 179245000 /nfs/dbraw/zinc/24/50/00/179245000.db2.gz KWILERMTNHJCGV-ZFWWWQNUSA-N 2 0 253.434 1.647 10 0 CDAERP C[C@H]1C[NH2+][C@@](C)(C2CC2)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086182525 179247981 /nfs/dbraw/zinc/24/79/81/179247981.db2.gz PQZGRMDCZQMTJW-APHBMKBZSA-N 2 0 263.429 1.543 10 0 CDAERP CC[N@@H+]1CCC[C@@H](N2C[C@H](C3CC3)[NH2+]C[C@@H]2C)C1 ZINC000086225435 179252907 /nfs/dbraw/zinc/25/29/07/179252907.db2.gz NXYWWALQJABGSW-NWANDNLSSA-N 2 0 251.418 1.543 10 0 CDAERP C[C@@H]1C[NH2+][C@@H](C2CC2)CN1C[C@@H]1CCCC[N@@H+]1C ZINC000086259369 179258028 /nfs/dbraw/zinc/25/80/28/179258028.db2.gz AIQCKLDTLDYWQT-VHDGCEQUSA-N 2 0 251.418 1.543 10 0 CDAERP C[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1C[C@@H]1CCCC[N@@H+]1C ZINC000086259311 179258384 /nfs/dbraw/zinc/25/83/84/179258384.db2.gz MCZRADRSBNHMDF-VNQPRFMTSA-N 2 0 265.445 1.933 10 0 CDAERP C[C@@H]1CCC[C@@]1(O)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623534083 347620267 /nfs/dbraw/zinc/62/02/67/347620267.db2.gz WPYXCUNABKFOKX-VNHYZAJKSA-N 2 0 254.418 2.000 10 0 CDAERP C[NH+](C)CCN(CC1CCCCC1)C(=O)NC/C=C/C[NH3+] ZINC000641861755 365943822 /nfs/dbraw/zinc/94/38/22/365943822.db2.gz DRNPOISSQXMTTC-VOTSOKGWSA-N 2 0 296.459 1.655 10 0 CDAERP CC(C)[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)CC[NH2+]1 ZINC000621156659 350464568 /nfs/dbraw/zinc/46/45/68/350464568.db2.gz FPFSJVJIZVJITQ-ZDUSSCGKSA-N 2 0 276.384 1.218 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621642419 350687175 /nfs/dbraw/zinc/68/71/75/350687175.db2.gz MUZJNAWLGXHZAF-CABCVRRESA-N 2 0 281.444 1.757 10 0 CDAERP CC(C)[C@H](C)CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000077844839 350753142 /nfs/dbraw/zinc/75/31/42/350753142.db2.gz CXICSVZFYFHROH-CQSZACIVSA-N 2 0 286.464 1.413 10 0 CDAERP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621698902 350728407 /nfs/dbraw/zinc/72/84/07/350728407.db2.gz ILOZLZBXKUPLCQ-ABAIWWIYSA-N 2 0 274.368 1.101 10 0 CDAERP CCn1nccc1CC[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000621774459 350771238 /nfs/dbraw/zinc/77/12/38/350771238.db2.gz VAFQVPKYHWRNRC-QWHCGFSZSA-N 2 0 250.390 1.505 10 0 CDAERP C[NH+](C)CC(C)(C)NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000622098697 350994452 /nfs/dbraw/zinc/99/44/52/350994452.db2.gz NPMIBYQLEPOFNH-CYBMUJFWSA-N 2 0 269.433 1.707 10 0 CDAERP CN1CCC[C@H]1C[NH2+]Cc1ccccc1-n1cncn1 ZINC000623786045 351276881 /nfs/dbraw/zinc/27/68/81/351276881.db2.gz UOKFPGGUWRTWGE-AWEZNQCLSA-N 2 0 271.368 1.451 10 0 CDAERP C[C@H](NC(=O)N[C@@H]1CCCC[NH2+]C1)C1=CC[N@H+](C)CC1 ZINC000333551867 363026658 /nfs/dbraw/zinc/02/66/58/363026658.db2.gz KHOHSQMDJPSXOX-GXTWGEPZSA-N 2 0 280.416 1.078 10 0 CDAERP C[C@@H]1CCC[C@@H](C)N1C(=O)CN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584048 363039350 /nfs/dbraw/zinc/03/93/50/363039350.db2.gz KNFYQCCUYFXSJK-SRABZTEZSA-N 2 0 293.455 1.707 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCN1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451892293 363173716 /nfs/dbraw/zinc/17/37/16/363173716.db2.gz PBNBSZQJTTXZGP-UTUOFQBUSA-N 2 0 280.334 1.716 10 0 CDAERP CCC[C@H]([NH3+])C(=O)N1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000396393888 366093104 /nfs/dbraw/zinc/09/31/04/366093104.db2.gz UJRKOYPURVFGHC-HOCLYGCPSA-N 2 0 289.423 1.847 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(Cc1nc3c(s1)C[NH2+]CC3)C2 ZINC000629663718 363318488 /nfs/dbraw/zinc/31/84/88/363318488.db2.gz GIAWWVLFQKZUHM-GASCZTMLSA-N 2 0 292.452 1.220 10 0 CDAERP CN(C[C@H](O)C[NH2+]CC(C)(C)[C@@H]1CCCCO1)C1CC1 ZINC000644589593 366220105 /nfs/dbraw/zinc/22/01/05/366220105.db2.gz DWIDARUISSTZFB-CABCVRRESA-N 2 0 284.444 1.626 10 0 CDAERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3c2cnn3C)C1 ZINC000037644295 356511209 /nfs/dbraw/zinc/51/12/09/356511209.db2.gz RPFWZGYKLBSYQG-TZMCWYRMSA-N 2 0 262.401 1.729 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000418195544 283177311 /nfs/dbraw/zinc/17/73/11/283177311.db2.gz BTYWVGKWGQJFBO-BFHYXJOUSA-N 2 0 284.448 1.404 10 0 CDAERP O=C(C[NH2+]CC1CC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000037826196 356543190 /nfs/dbraw/zinc/54/31/90/356543190.db2.gz PYJRNIWKMMPHLP-UHFFFAOYSA-N 2 0 279.428 1.320 10 0 CDAERP CCOCC[N@@H+]1CCN(c2cc(C)[nH+]c(N)n2)C[C@@H]1CC ZINC000069847477 356557081 /nfs/dbraw/zinc/55/70/81/356557081.db2.gz SZRNSSCGFDJRTH-ZDUSSCGKSA-N 2 0 293.415 1.304 10 0 CDAERP CC(C)(C[NH2+]C[C@@H](O)C[C@@](C)(O)C1CC1)C[NH+]1CCCC1 ZINC000634712675 357411389 /nfs/dbraw/zinc/41/13/89/357411389.db2.gz KDLTWRGVKBDASB-DOTOQJQBSA-N 2 0 298.471 1.610 10 0 CDAERP O[C@]1(C[NH2+]CCCCF)CCN(Cc2ccccc2)C1 ZINC000634714300 357418684 /nfs/dbraw/zinc/41/86/84/357418684.db2.gz JIKHHBZRRPNBOR-INIZCTEOSA-N 2 0 280.387 1.963 10 0 CDAERP CC[NH+](CC)CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000019515106 358102019 /nfs/dbraw/zinc/10/20/19/358102019.db2.gz NMNGCSVTADZCSL-IHRRRGAJSA-N 2 0 267.417 1.365 10 0 CDAERP C[NH+]1CCC(NC(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000336461892 363598662 /nfs/dbraw/zinc/59/86/62/363598662.db2.gz KLFCKEIKVDVLTA-UHFFFAOYSA-N 2 0 294.443 1.397 10 0 CDAERP C[C@@H]1CC[NH2+][C@H](C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)C1 ZINC000127431781 358235569 /nfs/dbraw/zinc/23/55/69/358235569.db2.gz KKYQXXLWZXQXFJ-RFGFWPKPSA-N 2 0 265.401 1.070 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000356592773 366424886 /nfs/dbraw/zinc/42/48/86/366424886.db2.gz FJLDSNIFGBLBOA-KKUMJFAQSA-N 2 0 283.460 1.953 10 0 CDAERP CC1CC[NH+](CCCNC(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000054308783 358711915 /nfs/dbraw/zinc/71/19/15/358711915.db2.gz KLTYXQCJQKPVGA-OAHLLOKOSA-N 2 0 281.444 1.614 10 0 CDAERP CC1CC[NH+](CCCNC(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000054308782 358711967 /nfs/dbraw/zinc/71/19/67/358711967.db2.gz KLTYXQCJQKPVGA-HNNXBMFYSA-N 2 0 281.444 1.614 10 0 CDAERP C[NH+](C)C(C)(C)CNC(=O)c1ccccc1CC[NH3+] ZINC000070542048 358965362 /nfs/dbraw/zinc/96/53/62/358965362.db2.gz RYCFUAGTQPXFQW-UHFFFAOYSA-N 2 0 263.385 1.258 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H](CNC2=[NH+]CCCN2)C1 ZINC000262774068 359186607 /nfs/dbraw/zinc/18/66/07/359186607.db2.gz JOYGJAHTYPNWAJ-ZDUSSCGKSA-N 2 0 252.406 1.293 10 0 CDAERP [NH3+]CCN(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000262146964 359659465 /nfs/dbraw/zinc/65/94/65/359659465.db2.gz QOHUFLIOGHNMRY-CYBMUJFWSA-N 2 0 265.426 1.651 10 0 CDAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCN1CCCC1=O ZINC000422774977 359656174 /nfs/dbraw/zinc/65/61/74/359656174.db2.gz ZGFQDZGYSUTSGS-CABCVRRESA-N 2 0 281.444 1.899 10 0 CDAERP CC(C)[C@H](O)C[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001660702084 1172260729 /nfs/dbraw/zinc/26/07/29/1172260729.db2.gz YWFCAEXXHLITDW-OAGGEKHMSA-N 2 0 266.429 1.811 10 0 CDAERP CN(CC[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](C2CC2)C1 ZINC000336697897 359732794 /nfs/dbraw/zinc/73/27/94/359732794.db2.gz GAGPLGZTLRNMBG-ZFWWWQNUSA-N 2 0 251.418 1.639 10 0 CDAERP [NH3+][C@H](C[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1)C1CC1 ZINC000423327360 359766319 /nfs/dbraw/zinc/76/63/19/359766319.db2.gz RJNRMJRAPYVXGT-GBJTYRQASA-N 2 0 252.402 1.909 10 0 CDAERP CC(C)[C@H](O)C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000336845837 359916012 /nfs/dbraw/zinc/91/60/12/359916012.db2.gz FTVFIFQNMNIEGW-BRWVUGGUSA-N 2 0 297.487 1.494 10 0 CDAERP [NH3+]CCN(CCOC[C@H]1CCCO1)CCc1ccccc1 ZINC000564987351 359963005 /nfs/dbraw/zinc/96/30/05/359963005.db2.gz YQEHBMIGSJTBEL-QGZVFWFLSA-N 2 0 292.423 1.685 10 0 CDAERP C[NH2+]C1CCN(C(=O)[C@@H]([NH3+])c2ccccc2C)CC1 ZINC000335422864 360252087 /nfs/dbraw/zinc/25/20/87/360252087.db2.gz LOYZWGWRUQPABY-AWEZNQCLSA-N 2 0 261.369 1.205 10 0 CDAERP C[C@H]1C[N@@H+](C2CCN(Cc3c[nH]cn3)CC2)CCO1 ZINC000092079322 360263960 /nfs/dbraw/zinc/26/39/60/360263960.db2.gz DVTHXKJKBHTOFW-LBPRGKRZSA-N 2 0 264.373 1.095 10 0 CDAERP CC(=O)N1CCC([NH2+]CC[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000635006867 360651573 /nfs/dbraw/zinc/65/15/73/360651573.db2.gz UCEZJLHRXGAYHM-INIZCTEOSA-N 2 0 289.423 1.547 10 0 CDAERP CC(=O)N1CCC([NH2+]CC[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000635006874 360651963 /nfs/dbraw/zinc/65/19/63/360651963.db2.gz UCEZJLHRXGAYHM-MRXNPFEDSA-N 2 0 289.423 1.547 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000626934165 360653114 /nfs/dbraw/zinc/65/31/14/360653114.db2.gz BYGRBNJSPYDKLQ-CYZMBNFOSA-N 2 0 296.440 1.400 10 0 CDAERP CCN(CC[NH3+])C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000626944615 360675021 /nfs/dbraw/zinc/67/50/21/360675021.db2.gz LGZXVASQGXORSQ-HNNXBMFYSA-N 2 0 292.427 1.150 10 0 CDAERP C[NH+](C)CC1(C(=O)N2CC[NH+]3CCC2CC3)CCCCC1 ZINC000335762462 360920752 /nfs/dbraw/zinc/92/07/52/360920752.db2.gz RECGCPOVDXBTPL-UHFFFAOYSA-N 2 0 293.455 1.805 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCC[NH+](C)C2)CC[N@@H+]1C ZINC000628751691 361011464 /nfs/dbraw/zinc/01/14/64/361011464.db2.gz BGGHVTJIUWEIAK-KKUMJFAQSA-N 2 0 281.444 1.565 10 0 CDAERP CCc1ncc(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)s1 ZINC000336565742 363752687 /nfs/dbraw/zinc/75/26/87/363752687.db2.gz CCBVEDIEHIRVKX-JQWIXIFHSA-N 2 0 251.399 1.889 10 0 CDAERP C[C@H]1[NH2+]CC[C@H]1C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000645774332 361388343 /nfs/dbraw/zinc/38/83/43/361388343.db2.gz OURNLGMWBGWNSC-TZMCWYRMSA-N 2 0 267.417 1.365 10 0 CDAERP COC(=O)[C@H](C1CC1)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339439967 361508281 /nfs/dbraw/zinc/50/82/81/361508281.db2.gz VBWYCLLDTIYNHW-ZFWWWQNUSA-N 2 0 266.385 1.356 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)[C@H]2CC[NH2+][C@@H]2C)cc1 ZINC000568608793 294066296 /nfs/dbraw/zinc/06/62/96/294066296.db2.gz BEPPYKXRWCQBKO-WDMOLILDSA-N 2 0 261.369 1.321 10 0 CDAERP C[C@H]1CCCC[C@H]1[NH+]1CCC(NCCC[NH3+])CC1 ZINC000437779656 361689669 /nfs/dbraw/zinc/68/96/69/361689669.db2.gz BVSFMMAGTHASGW-DZGCQCFKSA-N 2 0 253.434 1.968 10 0 CDAERP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCC[NH2+]C(C)(C)C ZINC000174240142 364172621 /nfs/dbraw/zinc/17/26/21/364172621.db2.gz ZHBIFFDCBKJUGE-HNNXBMFYSA-N 2 0 291.439 1.664 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C[N@H+](C)C1CCC1 ZINC000629959813 364262159 /nfs/dbraw/zinc/26/21/59/364262159.db2.gz YMIFHKOYHISASC-KBPBESRZSA-N 2 0 281.444 1.850 10 0 CDAERP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CC[C@H](C)[NH3+] ZINC000248867555 364323510 /nfs/dbraw/zinc/32/35/10/364323510.db2.gz NRWNMLHKBAJRKR-RFQIPJPRSA-N 2 0 269.433 1.596 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](CC)CC ZINC000357241165 366855570 /nfs/dbraw/zinc/85/55/70/366855570.db2.gz MNJPGPSQQCAWMT-CYBMUJFWSA-N 2 0 255.406 1.319 10 0 CDAERP COC[C@H](C)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000188114665 365068761 /nfs/dbraw/zinc/06/87/61/365068761.db2.gz QZWRXNKKKCWFBX-BMFZPTHFSA-N 2 0 284.444 1.626 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353690080 365370194 /nfs/dbraw/zinc/37/01/94/365370194.db2.gz RGKCKKQTFNNGMR-BBWFWOEESA-N 3 0 297.487 1.807 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1CC[N@H+](CC)C1)[NH+](CC)CC ZINC000414010630 241023263 /nfs/dbraw/zinc/02/32/63/241023263.db2.gz YTKXVLPZMFWTKO-CHWSQXEVSA-N 2 0 255.406 1.317 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000626965342 367100039 /nfs/dbraw/zinc/10/00/39/367100039.db2.gz AAVUCBBXRJHGRK-CHWSQXEVSA-N 2 0 282.432 1.301 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000626998716 367220469 /nfs/dbraw/zinc/22/04/69/367220469.db2.gz QXTJJEHUOXLBJA-RBSFLKMASA-N 2 0 296.459 1.404 10 0 CDAERP CC[N@H+](C)C[C@H](O)CN1CCOCC12CCCCC2 ZINC000566982495 370855301 /nfs/dbraw/zinc/85/53/01/370855301.db2.gz WLCANZHTRMJXGM-AWEZNQCLSA-N 2 0 270.417 1.334 10 0 CDAERP CC(C)[N@@H+]1CCCN(C(=O)COC2CCC([NH3+])CC2)CC1 ZINC000516929618 367214441 /nfs/dbraw/zinc/21/44/41/367214441.db2.gz IIDYPODBEFDFEY-UHFFFAOYSA-N 2 0 297.443 1.216 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000627023214 367246278 /nfs/dbraw/zinc/24/62/78/367246278.db2.gz NUZJCUMVVLIYMI-YNEHKIRRSA-N 2 0 282.432 1.156 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627042175 367293037 /nfs/dbraw/zinc/29/30/37/367293037.db2.gz XFSURKYWDKZIDJ-FRRDWIJNSA-N 2 0 270.421 1.156 10 0 CDAERP CCn1ccnc1[C@H](C)NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627053148 367310784 /nfs/dbraw/zinc/31/07/84/367310784.db2.gz YSGWNIXKJWGOOL-WOPDTQHZSA-N 2 0 279.388 1.404 10 0 CDAERP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627117757 367481869 /nfs/dbraw/zinc/48/18/69/367481869.db2.gz WQGKEJDQNRBJCW-SOUVJXGZSA-N 2 0 296.459 1.547 10 0 CDAERP CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627126297 367503093 /nfs/dbraw/zinc/50/30/93/367503093.db2.gz PYNGFBZZOCHJRC-OLZOCXBDSA-N 2 0 282.432 1.286 10 0 CDAERP CN(CCC[NH+]1CCCC1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627128858 367505895 /nfs/dbraw/zinc/50/58/95/367505895.db2.gz OOBBVXUSEVQVTK-AWEZNQCLSA-N 2 0 294.443 1.398 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000416835005 242175870 /nfs/dbraw/zinc/17/58/70/242175870.db2.gz STIKFXLYDTWDOZ-RWMBFGLXSA-N 2 0 294.399 1.451 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000417011868 242267276 /nfs/dbraw/zinc/26/72/76/242267276.db2.gz UEJKFLQNWLNISH-AGIUHOORSA-N 2 0 270.421 1.143 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)C[NH2+]1 ZINC000627199878 367690145 /nfs/dbraw/zinc/69/01/45/367690145.db2.gz FNLAJWSQZFLAHD-RFQIPJPRSA-N 2 0 282.432 1.109 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)CCC1C[NH2+]C1)c1cccs1 ZINC000638050451 367796196 /nfs/dbraw/zinc/79/61/96/367796196.db2.gz XNRRRPCEEOYTRV-GFCCVEGCSA-N 2 0 281.425 1.467 10 0 CDAERP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627243224 367832358 /nfs/dbraw/zinc/83/23/58/367832358.db2.gz DWBFYHNDHMVVMZ-XJFOESAGSA-N 2 0 280.416 1.005 10 0 CDAERP C[C@H]([NH3+])C1CCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000418452356 243096309 /nfs/dbraw/zinc/09/63/09/243096309.db2.gz NVDNAOWRIWEGTG-SWLSCSKDSA-N 2 0 290.411 1.455 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H](C)C[NH3+] ZINC000414870268 368449226 /nfs/dbraw/zinc/44/92/26/368449226.db2.gz BXHRIEQOFMCACV-NSHDSACASA-N 3 0 259.357 1.260 10 0 CDAERP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@@H]3C[C@H]4C[C@H]4C3)CC2)C1 ZINC000660075033 412772001 /nfs/dbraw/zinc/77/20/01/412772001.db2.gz VJWBEPKBDDELDI-YVSFHVDLSA-N 2 0 277.456 1.744 10 0 CDAERP O[C@]1(C[NH2+]Cc2cc(-n3ccnc3)cs2)CCOC1 ZINC000543241879 368898722 /nfs/dbraw/zinc/89/87/22/368898722.db2.gz OFOIMITUNQQVHP-ZDUSSCGKSA-N 2 0 279.365 1.175 10 0 CDAERP CC(C)C(=O)NCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367614252 369198823 /nfs/dbraw/zinc/19/88/23/369198823.db2.gz GBLDWVJHGGZEEA-RBSFLKMASA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)N(C(=O)CN1CC[C@]2(CC[N@H+](C)C2)C1)C(C)C ZINC000367846523 369266607 /nfs/dbraw/zinc/26/66/07/369266607.db2.gz MRCNPLXBOJVVTN-INIZCTEOSA-N 2 0 281.444 1.659 10 0 CDAERP CC(C)[N@H+](C)CC1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000545894793 369272913 /nfs/dbraw/zinc/27/29/13/369272913.db2.gz VYHPHYWZLCOHCP-LBPRGKRZSA-N 2 0 282.350 1.962 10 0 CDAERP CCC(C)(C)NC(=O)C[N@H+](C)CCCn1ccnc1C ZINC000136305972 369821615 /nfs/dbraw/zinc/82/16/15/369821615.db2.gz TYGCNURQCYCMAE-UHFFFAOYSA-N 2 0 280.416 1.818 10 0 CDAERP CCC[C@](C)([NH3+])C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371232739 370218847 /nfs/dbraw/zinc/21/88/47/370218847.db2.gz UPSMLWKPMDJBAM-YDHLFZDLSA-N 2 0 267.417 1.495 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000418199364 370279714 /nfs/dbraw/zinc/27/97/14/370279714.db2.gz NSBMXJTZIZKZMK-KFWWJZLASA-N 2 0 296.459 1.643 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)CC2CC[NH2+]CC2)cc1 ZINC000564943630 370305682 /nfs/dbraw/zinc/30/56/82/370305682.db2.gz CUBKVDZFVITMIW-GFCCVEGCSA-N 2 0 275.396 1.712 10 0 CDAERP COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420373760 284210327 /nfs/dbraw/zinc/21/03/27/284210327.db2.gz MZGGLWUYDHNCDM-XQLPTFJDSA-N 2 0 280.412 1.650 10 0 CDAERP CCn1ccnc1CNC(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000418271367 370377020 /nfs/dbraw/zinc/37/70/20/370377020.db2.gz PGZPIRYUFSPCNP-GFCCVEGCSA-N 2 0 281.404 1.418 10 0 CDAERP CC[C@@H](C)C[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000120460426 370402701 /nfs/dbraw/zinc/40/27/01/370402701.db2.gz IKUHUMSEEKNDMH-SJORKVTESA-N 2 0 297.487 1.759 10 0 CDAERP C[C@H]([NH2+]C[C@@](C)(O)C(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000566090777 370604669 /nfs/dbraw/zinc/60/46/69/370604669.db2.gz MJZWEZJHCXMATJ-IVZWLZJFSA-N 2 0 254.296 1.277 10 0 CDAERP C[NH+]1CCN(C[C@H](O)C[NH2+]CCCC(C)(C)C)CC1 ZINC000566115650 370613848 /nfs/dbraw/zinc/61/38/48/370613848.db2.gz FKINTINDNRVOLG-CQSZACIVSA-N 2 0 271.449 1.011 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCc2cnccn2)[C@@H]2CCC[C@H]21 ZINC000375863010 371005977 /nfs/dbraw/zinc/00/59/77/371005977.db2.gz VBPZENARQMKDLX-SOUVJXGZSA-N 2 0 260.385 1.482 10 0 CDAERP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCCN1CCCC1=O ZINC000422754881 245218352 /nfs/dbraw/zinc/21/83/52/245218352.db2.gz AZSZHBZTCAGDMY-QWHCGFSZSA-N 2 0 253.390 1.249 10 0 CDAERP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000422766145 245230728 /nfs/dbraw/zinc/23/07/28/245230728.db2.gz LLSBSWAHNPVIOC-CABCVRRESA-N 2 0 291.439 1.734 10 0 CDAERP O=C(C[NH2+][C@H](c1ccc(F)cc1)C1CC1)N1CC[NH2+]CC1 ZINC000567723961 371121972 /nfs/dbraw/zinc/12/19/72/371121972.db2.gz ITLSMLLSBCNZPS-INIZCTEOSA-N 2 0 291.370 1.298 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCc1ccc(-n2cccn2)cc1 ZINC000422818288 245293802 /nfs/dbraw/zinc/29/38/02/245293802.db2.gz FZXOZVPYHWCIBD-CVEARBPZSA-N 2 0 270.380 1.884 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)NCc1nccn1CC ZINC000296565232 371819710 /nfs/dbraw/zinc/81/97/10/371819710.db2.gz GXZZFPQPUVJDPD-LBPRGKRZSA-N 2 0 281.404 1.433 10 0 CDAERP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCNC(=O)c1ccccc1 ZINC000422913173 245399760 /nfs/dbraw/zinc/39/97/60/245399760.db2.gz PECRVWBKVHNZJC-DZGCQCFKSA-N 2 0 275.396 1.394 10 0 CDAERP [NH3+]C1CCC(OCC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000645561143 372085928 /nfs/dbraw/zinc/08/59/28/372085928.db2.gz JWUBAVKAPCYIKY-PIOWNMBXSA-N 2 0 295.427 1.016 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C[NH+](C)C(C)C ZINC000177022366 372773462 /nfs/dbraw/zinc/77/34/62/372773462.db2.gz VMVNQWREHQNMMP-ZDUSSCGKSA-N 2 0 255.406 1.269 10 0 CDAERP COc1cc(C)c(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c(C)n1 ZINC000415028676 372786503 /nfs/dbraw/zinc/78/65/03/372786503.db2.gz CYSISAWFZDJDTH-CHWSQXEVSA-N 2 0 263.385 1.924 10 0 CDAERP C[NH+](C)[C@H]1CCN(C(=O)C2CC[NH+](C3CC3)CC2)C1 ZINC000194560032 372893773 /nfs/dbraw/zinc/89/37/73/372893773.db2.gz XNPNMGKFIBJCRX-AWEZNQCLSA-N 2 0 265.401 1.023 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3nc[nH]c3C2)[C@@H](C)C1 ZINC000353633912 372899126 /nfs/dbraw/zinc/89/91/26/372899126.db2.gz XZCAOGCGIXCAJJ-XQQFMLRXSA-N 2 0 262.401 1.587 10 0 CDAERP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2C[C@H]2C2CC2)CC[NH2+]CC1 ZINC000423159299 245617632 /nfs/dbraw/zinc/61/76/32/245617632.db2.gz FQXWOHSEUMNSGF-QEJZJMRPSA-N 2 0 294.439 1.944 10 0 CDAERP COC(=O)[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C[C@H]1C ZINC000261996948 284364518 /nfs/dbraw/zinc/36/45/18/284364518.db2.gz SXEJWCQEGVAOJR-YPMHNXCESA-N 2 0 254.374 1.117 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C[C@H]1C ZINC000581497954 373046134 /nfs/dbraw/zinc/04/61/34/373046134.db2.gz KSVBGFGCSOMLOE-ZNMIVQPWSA-N 2 0 281.444 1.659 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000645685240 373236965 /nfs/dbraw/zinc/23/69/65/373236965.db2.gz WPJWRMSRJXOBIN-GJZGRUSLSA-N 2 0 289.423 1.923 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)N(C)[C@@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1C ZINC000341200972 373472027 /nfs/dbraw/zinc/47/20/27/373472027.db2.gz LMIJIKORYAYRBJ-VNHYZAJKSA-N 2 0 294.443 1.347 10 0 CDAERP [NH3+]C1CCC(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000037824313 373528722 /nfs/dbraw/zinc/52/87/22/373528722.db2.gz BKWXUCSIHGDYLU-NRXISQOPSA-N 2 0 279.428 1.591 10 0 CDAERP CC(C)N(C(=O)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1)C(C)C ZINC000631841584 373832743 /nfs/dbraw/zinc/83/27/43/373832743.db2.gz MRFPQBILVSEVJC-MGPQQGTHSA-N 2 0 269.433 1.547 10 0 CDAERP COc1cccc([C@H]2C[C@H](O)C[N@@H+]2CCn2ccnc2)c1 ZINC000225727122 374328780 /nfs/dbraw/zinc/32/87/80/374328780.db2.gz SXTPZRZHCUUOQZ-GOEBONIOSA-N 2 0 287.363 1.700 10 0 CDAERP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)C[C@H]1C ZINC000418550421 374407505 /nfs/dbraw/zinc/40/75/05/374407505.db2.gz ANSGDDZWQUQCJB-YIYPIFLZSA-N 2 0 282.432 1.109 10 0 CDAERP CC[NH+](CC)[C@H](C)CN[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000127637719 375071584 /nfs/dbraw/zinc/07/15/84/375071584.db2.gz ZBDRIAOXYRPJFL-MJBXVCDLSA-N 2 0 253.434 1.932 10 0 CDAERP C[C@H](CNC(=O)Cn1ccnc1)[N@@H+]1CCc2ccccc2C1 ZINC000564015321 375090254 /nfs/dbraw/zinc/09/02/54/375090254.db2.gz GGSZKGTWXARUID-CQSZACIVSA-N 2 0 298.390 1.446 10 0 CDAERP C[C@@H]([NH3+])C(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638851722 375092101 /nfs/dbraw/zinc/09/21/01/375092101.db2.gz QNANICNTGNHIFX-GDBMZVCRSA-N 2 0 289.423 1.895 10 0 CDAERP C[C@@H]1CC[C@@H]([NH2+]CCN2CCC([NH+](C)C)CC2)CS1 ZINC000655718749 412834088 /nfs/dbraw/zinc/83/40/88/412834088.db2.gz LYYJNLNKFNRVRK-ZIAGYGMSSA-N 2 0 285.501 1.886 10 0 CDAERP CCC[C@H](CCO)[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000631669934 375281754 /nfs/dbraw/zinc/28/17/54/375281754.db2.gz SCPZVQCOPZIWMK-LXTVHRRPSA-N 2 0 254.418 2.000 10 0 CDAERP CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)[C@@H](C)[NH3+])CC(C)C ZINC000416943585 375705327 /nfs/dbraw/zinc/70/53/27/375705327.db2.gz CJCKIVSHRWXCNW-RDBSUJKOSA-N 2 0 286.464 1.778 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[NH+](C3CC3)CC2)C1 ZINC000194671657 375946686 /nfs/dbraw/zinc/94/66/86/375946686.db2.gz XTJCQCUBJLJGAY-AWEZNQCLSA-N 2 0 294.443 1.350 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](CC(C)C)[NH+](C)C)CC[N@@H+]1C ZINC000631268720 376053207 /nfs/dbraw/zinc/05/32/07/376053207.db2.gz DEUIOLQWBSWMIY-QLFBSQMISA-N 2 0 283.460 1.809 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)C2(C[NH3+])CCCC2)CC1 ZINC000638975583 376328244 /nfs/dbraw/zinc/32/82/44/376328244.db2.gz MDLILTNHJVVJAF-UHFFFAOYSA-N 2 0 281.444 1.838 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000417387551 376303895 /nfs/dbraw/zinc/30/38/95/376303895.db2.gz HDDDCPZBRBORHI-UKRRQHHQSA-N 2 0 296.459 1.406 10 0 CDAERP C[C@@H]([NH3+])C1CC[NH+]([C@@H]2CCN(C3CCC3)C2=O)CC1 ZINC000631820993 376640972 /nfs/dbraw/zinc/64/09/72/376640972.db2.gz MFVRAAPOKIVKAE-BXUZGUMPSA-N 2 0 265.401 1.199 10 0 CDAERP c1nc2n(n1)[C@@H](C[NH+]1CCC([C@H]3CCC[NH2+]3)CC1)CC2 ZINC000631827847 376663366 /nfs/dbraw/zinc/66/33/66/376663366.db2.gz XVMMFRTWJBNTDA-ZIAGYGMSSA-N 2 0 275.400 1.229 10 0 CDAERP C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)OC1CCOCC1 ZINC000631891373 376787365 /nfs/dbraw/zinc/78/73/65/376787365.db2.gz YJLHEWATLWMVPJ-ZFWWWQNUSA-N 2 0 268.401 1.256 10 0 CDAERP CC[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000247261938 377078814 /nfs/dbraw/zinc/07/88/14/377078814.db2.gz BELYEDVRVUSREP-STQMWFEESA-N 2 0 277.368 1.767 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247508662 377136514 /nfs/dbraw/zinc/13/65/14/377136514.db2.gz YEURZHDJFZPSNB-KFWWJZLASA-N 2 0 298.475 1.745 10 0 CDAERP CC1(C)CN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC[C@@H]1[NH3+] ZINC000261649345 377880257 /nfs/dbraw/zinc/88/02/57/377880257.db2.gz AJFKJJVVHHPYAI-GJZGRUSLSA-N 2 0 287.407 1.287 10 0 CDAERP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000417529757 377882420 /nfs/dbraw/zinc/88/24/20/377882420.db2.gz HBCUKPAAQVPDDS-LXTVHRRPSA-N 2 0 296.459 1.628 10 0 CDAERP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261754035 377898836 /nfs/dbraw/zinc/89/88/36/377898836.db2.gz LJIOEKJRUDYSGI-GJZGRUSLSA-N 2 0 297.443 1.073 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)CC[N@@H+]1C ZINC000633032437 378058431 /nfs/dbraw/zinc/05/84/31/378058431.db2.gz JSPNUSYQZLOIQJ-LVQVYYBASA-N 2 0 293.455 1.802 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)C2CC[NH2+]CC2)CC1 ZINC000165863176 378583211 /nfs/dbraw/zinc/58/32/11/378583211.db2.gz TYLVKKJLYJERTI-UHFFFAOYSA-N 2 0 267.417 1.224 10 0 CDAERP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CC1=CCCCC1 ZINC001662325360 1172530609 /nfs/dbraw/zinc/53/06/09/1172530609.db2.gz QAIACMOLLAAWPB-AWEZNQCLSA-N 2 0 293.455 1.923 10 0 CDAERP CC(C)[NH2+][C@H](C)CNC(=O)[C@H](C)Cc1c[nH]cn1 ZINC001662356675 1172535011 /nfs/dbraw/zinc/53/50/11/1172535011.db2.gz OMMXPZHBGLCLAI-GHMZBOCLSA-N 2 0 252.362 1.091 10 0 CDAERP C[NH+](C)CCC[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000662326820 412897063 /nfs/dbraw/zinc/89/70/63/412897063.db2.gz CUWGCMJGBSOIRN-JKSUJKDBSA-N 3 0 283.460 1.419 10 0 CDAERP Cc1cn[nH]c1C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000657574093 412906331 /nfs/dbraw/zinc/90/63/31/412906331.db2.gz ZTZFQLRIVUNPCJ-ZDUSSCGKSA-N 2 0 267.421 1.080 10 0 CDAERP C[C@@H](CCNC(=O)CC[NH+](C)C)[NH2+]CC1CCC1 ZINC001662971444 1172622672 /nfs/dbraw/zinc/62/26/72/1172622672.db2.gz VOGMHGLSSPCBLY-LBPRGKRZSA-N 2 0 255.406 1.223 10 0 CDAERP CCC(C)(C)[NH+]1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000655965395 412977585 /nfs/dbraw/zinc/97/75/85/412977585.db2.gz CQAYMSQEKRFGCT-ZIAGYGMSSA-N 2 0 296.459 1.500 10 0 CDAERP CN(C)c1ccncc1C[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000657703874 412990925 /nfs/dbraw/zinc/99/09/25/412990925.db2.gz CKWKXRHRSOHHMZ-KBPBESRZSA-N 2 0 261.369 1.541 10 0 CDAERP C[C@H](C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[NH+]1CCCCCC1 ZINC000654067280 413022946 /nfs/dbraw/zinc/02/29/46/413022946.db2.gz MWKHCAWJPXKNMM-KFWWJZLASA-N 2 0 281.444 1.707 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000261653133 285273307 /nfs/dbraw/zinc/27/33/07/285273307.db2.gz UESGECGYLLDCHV-UONOGXRCSA-N 2 0 281.444 1.707 10 0 CDAERP Brc1ccc(C[NH2+]CC2CC[NH2+]CC2)cn1 ZINC000095092341 184941494 /nfs/dbraw/zinc/94/14/94/184941494.db2.gz FTDVTSAEAHLHGU-UHFFFAOYSA-N 2 0 284.201 1.933 10 0 CDAERP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000647016551 390355921 /nfs/dbraw/zinc/35/59/21/390355921.db2.gz ODZPZJDCMAXHIJ-SWLSCSKDSA-N 2 0 275.396 1.619 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@H](OC)C12CCC2 ZINC000423172154 285373993 /nfs/dbraw/zinc/37/39/93/285373993.db2.gz RPIAKCRRHUWESZ-XQQFMLRXSA-N 2 0 256.390 1.288 10 0 CDAERP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)o1 ZINC000647044455 390375564 /nfs/dbraw/zinc/37/55/64/390375564.db2.gz CNJBRKOYVCIDAN-WCQYABFASA-N 2 0 279.384 1.683 10 0 CDAERP C[NH2+][C@@H](C)Cc1noc([C@@H](C[NH3+])c2ccc(F)cc2)n1 ZINC000647143004 390548372 /nfs/dbraw/zinc/54/83/72/390548372.db2.gz ZSPSYMIHQMGXJK-CABZTGNLSA-N 2 0 278.331 1.450 10 0 CDAERP C[N@H+]1CC=C(C[NH2+]Cc2ccnn2-c2ccccn2)CC1 ZINC000647199694 390854822 /nfs/dbraw/zinc/85/48/22/390854822.db2.gz NCAKISJIUKDRCV-UHFFFAOYSA-N 2 0 283.379 1.619 10 0 CDAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3[NH2+]CCCC3(C)C)CC[C@H]21 ZINC000261595873 390829247 /nfs/dbraw/zinc/82/92/47/390829247.db2.gz IKHWLDJFXFWTHL-RBSFLKMASA-N 2 0 293.455 1.707 10 0 CDAERP C[C@@H](CC(=O)N[C@H]1CC[NH2+]C12CCCC2)C1CC[NH2+]CC1 ZINC000648206172 390951872 /nfs/dbraw/zinc/95/18/72/390951872.db2.gz VERKRDGTIAHTKX-ZFWWWQNUSA-N 2 0 293.455 1.803 10 0 CDAERP O[C@H](C[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)C[NH+]1CCCCC1 ZINC000403724872 390953081 /nfs/dbraw/zinc/95/30/81/390953081.db2.gz IVXVPBHSYSMWFL-LVQVYYBASA-N 2 0 266.429 1.859 10 0 CDAERP Cc1ccc(C[C@H](CO)N[C@@H]2C[NH2+]C[C@H](C)C2)cc1 ZINC000647551460 390996482 /nfs/dbraw/zinc/99/64/82/390996482.db2.gz PFDBKBGODWDZFV-VNQPRFMTSA-N 2 0 262.397 1.486 10 0 CDAERP C[NH2+]CCc1ccccc1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000228500473 391001057 /nfs/dbraw/zinc/00/10/57/391001057.db2.gz KNTGRVBBYHDQDQ-HNNXBMFYSA-N 2 0 287.407 1.369 10 0 CDAERP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)[C@@H]1C[C@H]1C1CC1 ZINC000527645410 391076333 /nfs/dbraw/zinc/07/63/33/391076333.db2.gz NJGDGMHGYDGCJJ-RZFFKMDDSA-N 2 0 252.402 1.467 10 0 CDAERP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)[C@H]1C[C@H]1C ZINC000414125183 391110097 /nfs/dbraw/zinc/11/00/97/391110097.db2.gz CUZLWKZBSREXFR-RDBSUJKOSA-N 2 0 253.434 1.647 10 0 CDAERP CC1=CC[N@H+](CCNC(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000418008838 391286557 /nfs/dbraw/zinc/28/65/57/391286557.db2.gz DORWIQQELSUHQZ-OAHLLOKOSA-N 2 0 294.443 1.470 10 0 CDAERP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)NCCC[NH3+])cc1 ZINC000418310737 391297065 /nfs/dbraw/zinc/29/70/65/391297065.db2.gz KJZZPDIWIMAWHS-AWEZNQCLSA-N 2 0 278.400 1.458 10 0 CDAERP CC(C)NC(=O)CC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000172575309 391325983 /nfs/dbraw/zinc/32/59/83/391325983.db2.gz PLQWUWLKEUCWDG-HNNXBMFYSA-N 2 0 281.444 1.851 10 0 CDAERP CC(C)C[C@@H]([NH3+])CN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000414692709 391344719 /nfs/dbraw/zinc/34/47/19/391344719.db2.gz KWRIXEDZOHOGPK-IAGOWNOFSA-N 2 0 296.503 1.462 10 0 CDAERP C[C@@H](NC(=O)N1CCC[N@@H+](C2CCCC2)CC1)[C@H](C)[NH3+] ZINC000335433701 391431727 /nfs/dbraw/zinc/43/17/27/391431727.db2.gz AETQUMZMDYZTOU-QWHCGFSZSA-N 2 0 282.432 1.382 10 0 CDAERP CCc1ccccc1[C@H]([NH3+])CNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000417836994 391502758 /nfs/dbraw/zinc/50/27/58/391502758.db2.gz OYCJEORJNJACMW-NVXWUHKLSA-N 2 0 289.423 1.755 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)C[N@@H+]1C1CC1 ZINC000417861211 391516537 /nfs/dbraw/zinc/51/65/37/391516537.db2.gz XSINLEZYQJKLFG-JMSVASOKSA-N 2 0 292.427 1.148 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107666282 391524533 /nfs/dbraw/zinc/52/45/33/391524533.db2.gz VOFHOJRPZXZMAO-HNNXBMFYSA-N 2 0 281.444 1.804 10 0 CDAERP CC(C)[C@H]([NH3+])CNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000418112192 391628136 /nfs/dbraw/zinc/62/81/36/391628136.db2.gz BCDJAHCUNRQTMI-JXQTWKCFSA-N 2 0 282.432 1.286 10 0 CDAERP C[C@H](CC[NH3+])NC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000417534061 391640758 /nfs/dbraw/zinc/64/07/58/391640758.db2.gz NSXMUUMZXMYGDY-JHJVBQTASA-N 2 0 270.421 1.286 10 0 CDAERP OC[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cccnc1 ZINC000647796872 391648494 /nfs/dbraw/zinc/64/84/94/391648494.db2.gz QCVMYNSNGKNBML-XUWVNRHRSA-N 2 0 275.396 1.135 10 0 CDAERP CC(C)C[C@H](C[NH3+])NC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000417540757 391649364 /nfs/dbraw/zinc/64/93/64/391649364.db2.gz XRVAOAUVJOWGLY-SOUVJXGZSA-N 2 0 298.475 1.922 10 0 CDAERP C[C@@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+](C)C1CC1 ZINC000417551191 391652502 /nfs/dbraw/zinc/65/25/02/391652502.db2.gz NMJSGDLCLGTGNT-KIFYNCCSSA-N 2 0 294.443 1.394 10 0 CDAERP CC[C@@H](COC)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415051885 391726545 /nfs/dbraw/zinc/72/65/45/391726545.db2.gz JTVOTZJNYFRFDG-NFOMZHRRSA-N 2 0 269.433 1.217 10 0 CDAERP COc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])c1 ZINC000415022678 391727754 /nfs/dbraw/zinc/72/77/54/391727754.db2.gz VXMRNWBIXLIQLK-SRVKXCTJSA-N 2 0 279.384 1.738 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000520374522 391788454 /nfs/dbraw/zinc/78/84/54/391788454.db2.gz AQLAWTRSOLLGOL-DZGCQCFKSA-N 2 0 296.459 1.548 10 0 CDAERP CCC[NH+]1CCC([NH2+][C@@H](CC)Cn2cncn2)CC1 ZINC000438829612 391968767 /nfs/dbraw/zinc/96/87/67/391968767.db2.gz KSTGJPMXCWESJY-ZDUSSCGKSA-N 2 0 265.405 1.521 10 0 CDAERP Cc1nccn1CCC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646105949 392014128 /nfs/dbraw/zinc/01/41/28/392014128.db2.gz NJNBLUMSPXAAOU-UHFFFAOYSA-N 2 0 292.427 1.378 10 0 CDAERP C[N@H+](CCN[C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)C1CCCC1 ZINC000261932254 392028078 /nfs/dbraw/zinc/02/80/78/392028078.db2.gz LUODGSQMFIFGTE-ZACQAIPSSA-N 2 0 295.471 1.608 10 0 CDAERP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCCSCC2)CC1 ZINC000657835223 413051362 /nfs/dbraw/zinc/05/13/62/413051362.db2.gz DODFCCHUJUQBJI-GJZGRUSLSA-N 2 0 285.501 1.888 10 0 CDAERP CN(C)C(=O)C1CC[NH+](CCCc2cncn2C)CC1 ZINC000572420144 392097980 /nfs/dbraw/zinc/09/79/80/392097980.db2.gz MLFWYVJEFAECAF-UHFFFAOYSA-N 2 0 278.400 1.153 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000423039165 392293788 /nfs/dbraw/zinc/29/37/88/392293788.db2.gz DUBDTCVITNIDQG-PMPSAXMXSA-N 3 0 297.487 1.983 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCc1cc(F)c(F)c(F)c1 ZINC000423043321 392294706 /nfs/dbraw/zinc/29/47/06/392294706.db2.gz OISMCMKXSMLGNR-NSHDSACASA-N 2 0 290.329 1.990 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+]C2CC(CF)(CF)C2)CC1 ZINC000657836768 413052034 /nfs/dbraw/zinc/05/20/34/413052034.db2.gz OQKGCRACISHTFM-CYBMUJFWSA-N 2 0 289.414 1.690 10 0 CDAERP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000423114333 392356439 /nfs/dbraw/zinc/35/64/39/392356439.db2.gz VFSQMTSMUPUPTM-JYJNAYRXSA-N 2 0 262.397 1.840 10 0 CDAERP CC(C)C1CC([NH2+][C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000488466543 392365839 /nfs/dbraw/zinc/36/58/39/392365839.db2.gz QHZNEWKALGSVSY-WLYUNCDWSA-N 2 0 253.434 1.647 10 0 CDAERP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccccc2CC[NH3+])C1 ZINC000568149587 392373427 /nfs/dbraw/zinc/37/34/27/392373427.db2.gz SMJFLHCXOCJESL-TZMCWYRMSA-N 2 0 275.396 1.387 10 0 CDAERP C[C@H]([NH2+]CCC[NH3+])c1ccc(-n2cncn2)cc1Cl ZINC000423193494 392431945 /nfs/dbraw/zinc/43/19/45/392431945.db2.gz QUNOPIIOWNDVRJ-JTQLQIEISA-N 2 0 279.775 1.920 10 0 CDAERP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CCC[NH3+] ZINC000423197145 392434784 /nfs/dbraw/zinc/43/47/84/392434784.db2.gz YCFBBCLRCVMSTQ-SNVBAGLBSA-N 2 0 265.357 1.653 10 0 CDAERP Cc1cn2cc(NC(=O)[C@H]3[NH2+]CC3(C)C)ccc2n1 ZINC000645879802 392451327 /nfs/dbraw/zinc/45/13/27/392451327.db2.gz UGDYVPOCXMSVSQ-GFCCVEGCSA-N 2 0 258.325 1.579 10 0 CDAERP O=C([C@@H]1C[NH2+]Cc2ccccc21)N1CC[NH+]2CCC1CC2 ZINC000646451359 392455946 /nfs/dbraw/zinc/45/59/46/392455946.db2.gz AZVIAJNMEDTCTJ-MRXNPFEDSA-N 2 0 285.391 1.180 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000423228830 392458112 /nfs/dbraw/zinc/45/81/12/392458112.db2.gz FJCHTNQZLRXIEP-RYUDHWBXSA-N 2 0 263.389 1.029 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CC[NH2+]1 ZINC000646384902 392402673 /nfs/dbraw/zinc/40/26/73/392402673.db2.gz RWVJUOOIAWCNEQ-VGWMRTNUSA-N 2 0 293.455 1.613 10 0 CDAERP O=C(C[C@H]1CCC[NH2+]1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000645889747 392471950 /nfs/dbraw/zinc/47/19/50/392471950.db2.gz ZRPINEPSZDJQBM-LLVKDONJSA-N 2 0 271.324 1.348 10 0 CDAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)CC[NH2+]C1CC1 ZINC000573934487 392472420 /nfs/dbraw/zinc/47/24/20/392472420.db2.gz YACLQMFNLVHJER-MRXNPFEDSA-N 2 0 289.423 1.418 10 0 CDAERP COc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH3+])cc1NC(C)=O ZINC000423299175 392494066 /nfs/dbraw/zinc/49/40/66/392494066.db2.gz POAOHMSIHYXYLP-GHMZBOCLSA-N 2 0 279.384 1.899 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCCc2cc(N)ccc21 ZINC000423371852 392546677 /nfs/dbraw/zinc/54/66/77/392546677.db2.gz VHMFIZWFSOFQPE-ZBFHGGJFSA-N 2 0 277.412 1.990 10 0 CDAERP [NH3+][C@@H](CNC(=O)COC1CCC([NH3+])CC1)c1ccccc1 ZINC000646697059 392666621 /nfs/dbraw/zinc/66/66/21/392666621.db2.gz RBIRUTWABVYURZ-NRXISQOPSA-N 2 0 291.395 1.089 10 0 CDAERP C(C1CC1)[NH+]1CCC([NH2+][C@H]2CCO[C@]3(CCOC3)C2)CC1 ZINC000540396928 392765248 /nfs/dbraw/zinc/76/52/48/392765248.db2.gz FZPFPMMJVUPVMZ-DLBZAZTESA-N 2 0 294.439 1.789 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@H](C)N(C)C ZINC000449554785 392782546 /nfs/dbraw/zinc/78/25/46/392782546.db2.gz CWXKMEHLKPPRJH-LBPRGKRZSA-N 2 0 273.384 1.615 10 0 CDAERP CCC[C@H](O)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000450397851 392934644 /nfs/dbraw/zinc/93/46/44/392934644.db2.gz YSJMSWCDCUDYEU-HOTGVXAUSA-N 2 0 283.460 1.249 10 0 CDAERP C[C@@H](C[NH2+][C@@H]1CCC(=O)NC1(C)C)N1CCC[C@@H](C)C1 ZINC000494889505 393122762 /nfs/dbraw/zinc/12/27/62/393122762.db2.gz LAQWOXANBQAEGC-HZSPNIEDSA-N 2 0 281.444 1.754 10 0 CDAERP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000220326738 140167465 /nfs/dbraw/zinc/16/74/65/140167465.db2.gz KXRMVCHWJKLJKW-YNEHKIRRSA-N 2 0 253.390 1.057 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCOc2ccccc21 ZINC000234755235 393356413 /nfs/dbraw/zinc/35/64/13/393356413.db2.gz SGXIGQDWADINTA-OCCSQVGLSA-N 2 0 264.369 1.854 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@H](O)COCc2ccccc2)C1 ZINC000656153012 413061290 /nfs/dbraw/zinc/06/12/90/413061290.db2.gz MBNCVIVEWLKUAD-BBWFWOEESA-N 2 0 292.423 1.494 10 0 CDAERP C[C@@H](C[NH2+][C@@H](C)C(C)(C)C(F)F)N1CC[NH+](C)CC1 ZINC000657873014 413065822 /nfs/dbraw/zinc/06/58/22/413065822.db2.gz QTNXYUJNCTUVGA-RYUDHWBXSA-N 2 0 277.403 1.892 10 0 CDAERP C[C@@H]1CCC[C@](CNC(=O)C2([NH3+])CCOCC2)([NH+](C)C)C1 ZINC000132224144 296492087 /nfs/dbraw/zinc/49/20/87/296492087.db2.gz FFVJNMIJHHUUNS-HIFRSBDPSA-N 2 0 297.443 1.121 10 0 CDAERP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)C(C)(C)C(F)F ZINC000657880766 413068466 /nfs/dbraw/zinc/06/84/66/413068466.db2.gz NLHBEFMXCIGLSO-NWDGAFQWSA-N 2 0 277.403 1.892 10 0 CDAERP c1ncn(CC2CC[NH+](CCC[NH+]3CCCC3)CC2)n1 ZINC000186213111 140056574 /nfs/dbraw/zinc/05/65/74/140056574.db2.gz JWYXTVRFPIBEKP-UHFFFAOYSA-N 2 0 277.416 1.476 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC(C[NH+]3CCCC3)CC2)CC[NH2+]1 ZINC000235717403 140237317 /nfs/dbraw/zinc/23/73/17/140237317.db2.gz OIJWMQLUOJNZCF-HOCLYGCPSA-N 2 0 293.455 1.709 10 0 CDAERP CC1(C)C[N@H+](CCC(=O)NC2CCCC2)CC[C@@H]1[NH3+] ZINC000261757286 140385492 /nfs/dbraw/zinc/38/54/92/140385492.db2.gz QRBBOXFENYTLBK-ZDUSSCGKSA-N 2 0 267.417 1.495 10 0 CDAERP CCC([NH3+])(CC)CNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262048874 140418866 /nfs/dbraw/zinc/41/88/66/140418866.db2.gz HDSRPJFDMXPBBM-SWLSCSKDSA-N 2 0 267.417 1.400 10 0 CDAERP COCCC[N@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667560215 483331776 /nfs/dbraw/zinc/33/17/76/483331776.db2.gz RCVDPRCUJJPFOV-UHFFFAOYSA-N 2 0 260.341 1.736 10 0 CDAERP C[C@H](C[NH2+]C1CCC(C[NH3+])CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656200246 413097244 /nfs/dbraw/zinc/09/72/44/413097244.db2.gz JWRGZNNOYZUHNS-OXLPJUHDSA-N 2 0 283.460 1.591 10 0 CDAERP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656199976 413097666 /nfs/dbraw/zinc/09/76/66/413097666.db2.gz HRTZHZQBQKGOKH-QMCVQRASSA-N 3 0 275.440 1.875 10 0 CDAERP COc1c(C)cccc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000656200279 413098906 /nfs/dbraw/zinc/09/89/06/413098906.db2.gz KTIWNOBOESJYSL-VHDGCEQUSA-N 2 0 278.396 1.846 10 0 CDAERP CC[C@H]([NH2+]C)C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000662530461 413099509 /nfs/dbraw/zinc/09/95/09/413099509.db2.gz ATDWWZJFSZAJNE-AVGNSLFASA-N 2 0 253.390 1.070 10 0 CDAERP COc1ccc([C@H](C[NH3+])C[N@H+](C)C[C@@H]2CCCO2)cc1 ZINC000420323413 397701235 /nfs/dbraw/zinc/70/12/35/397701235.db2.gz UEGCIFNGUYCVFE-ZBFHGGJFSA-N 2 0 278.396 1.848 10 0 CDAERP CCc1nn(C)cc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000394121165 397802292 /nfs/dbraw/zinc/80/22/92/397802292.db2.gz WPTFNGNMEZXKMO-BETUJISGSA-N 2 0 262.401 1.414 10 0 CDAERP C[NH2+][C@@H](C)Cc1noc([C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000647143460 397870413 /nfs/dbraw/zinc/87/04/13/397870413.db2.gz BHCYUXBUBXQDHA-DCAQKATOSA-N 2 0 252.362 1.418 10 0 CDAERP CC[NH+]1CCC([NH2+]C[C@H](OC)[C@@H]2CCOC2)CC1 ZINC000658075534 413175745 /nfs/dbraw/zinc/17/57/45/413175745.db2.gz ZEXFTDLNUAXYMR-OCCSQVGLSA-N 2 0 256.390 1.112 10 0 CDAERP CC(C)[C@H](C(=O)N1CCC([NH+](C)C)CC1)[C@@H](C)[NH3+] ZINC000399369096 398031009 /nfs/dbraw/zinc/03/10/09/398031009.db2.gz JXIQAPPAECBDCP-YPMHNXCESA-N 2 0 255.406 1.158 10 0 CDAERP C[C@H]([NH3+])CC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000037607865 398094672 /nfs/dbraw/zinc/09/46/72/398094672.db2.gz GIDPWFDZHFWJKF-LBPRGKRZSA-N 2 0 261.369 1.958 10 0 CDAERP C[NH+](C)CC1CC[NH+](C[C@H]2CCC[C@@H](O)C2)CC1 ZINC000386752224 398080408 /nfs/dbraw/zinc/08/04/08/398080408.db2.gz FNCGIVAZDBUFKF-LSDHHAIUSA-N 2 0 254.418 1.811 10 0 CDAERP Cc1ccc([C@@H](C)[N@H+](C)CC(=O)N2CC[NH2+]CC2)c(C)c1 ZINC000038030907 292191057 /nfs/dbraw/zinc/19/10/57/292191057.db2.gz USSZKAGFPBNYHY-OAHLLOKOSA-N 2 0 289.423 1.728 10 0 CDAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000262236173 149038376 /nfs/dbraw/zinc/03/83/76/149038376.db2.gz AMJYVDYIUHZYDR-BARDWOONSA-N 2 0 279.428 1.589 10 0 CDAERP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000262535698 149073565 /nfs/dbraw/zinc/07/35/65/149073565.db2.gz JRNHFVNGLWHIQF-AEGPPILISA-N 2 0 281.444 1.550 10 0 CDAERP C[NH2+]C[C@H](C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000262647997 149089545 /nfs/dbraw/zinc/08/95/45/149089545.db2.gz PJJCGWCCKMSROQ-AWEZNQCLSA-N 2 0 289.423 1.754 10 0 CDAERP CC1CCC(NC(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CC1 ZINC000315055711 149257806 /nfs/dbraw/zinc/25/78/06/149257806.db2.gz CXJXLBODJHLVNK-IRHLINNNSA-N 2 0 293.455 1.613 10 0 CDAERP C[C@]([NH3+])(C(=O)N1CC[NH+]2CCC1CC2)c1ccccc1 ZINC000335036550 150212503 /nfs/dbraw/zinc/21/25/03/150212503.db2.gz UACIOJHMFYPPIL-MRXNPFEDSA-N 2 0 273.380 1.167 10 0 CDAERP CCC[C@@](C)([NH3+])C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000335147507 150337149 /nfs/dbraw/zinc/33/71/49/150337149.db2.gz CIQUISVUKPHWKE-KGLIPLIRSA-N 2 0 253.390 1.106 10 0 CDAERP Cc1cc(NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)no1 ZINC000664314603 413260445 /nfs/dbraw/zinc/26/04/45/413260445.db2.gz MTXFINKXPMPPCF-NSHDSACASA-N 2 0 297.403 1.377 10 0 CDAERP C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000343548829 152220619 /nfs/dbraw/zinc/22/06/19/152220619.db2.gz BDBMWFJEGWJHOQ-PBHICJAKSA-N 2 0 291.439 1.667 10 0 CDAERP CC[NH+](CC)CCSCC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000346129404 153063229 /nfs/dbraw/zinc/06/32/29/153063229.db2.gz YGILPZFBJZJNKR-ZDUSSCGKSA-N 2 0 287.473 1.272 10 0 CDAERP CCC[NH2+][C@@H](C)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000662686224 413309582 /nfs/dbraw/zinc/30/95/82/413309582.db2.gz KUFZXUULTWCOQI-SWLSCSKDSA-N 2 0 291.395 1.674 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](O)C23CCC3)[C@@H]2CCC[C@@H]21 ZINC000658251982 413317942 /nfs/dbraw/zinc/31/79/42/413317942.db2.gz POSUOCSKHARZAB-LXFSFDBISA-N 2 0 264.413 1.752 10 0 CDAERP CCC[NH+](CCC)CCCNC(=O)CC1([NH3+])CC1 ZINC000662690934 413320589 /nfs/dbraw/zinc/32/05/89/413320589.db2.gz DUSJPBXJJHWLER-UHFFFAOYSA-N 2 0 255.406 1.496 10 0 CDAERP CC1CC[NH+](C[C@@H]2CCCN(C(=O)CC3([NH3+])CC3)C2)CC1 ZINC000662697730 413334967 /nfs/dbraw/zinc/33/49/67/413334967.db2.gz AUCRTTBELKCPAH-HNNXBMFYSA-N 2 0 293.455 1.838 10 0 CDAERP C[N@@H+]1CC[C@]2(C1)CCCN(CC(=O)NC(C)(C)C)C2 ZINC000660654368 413338656 /nfs/dbraw/zinc/33/86/56/413338656.db2.gz HFGGNMIFNPDQEV-HNNXBMFYSA-N 2 0 267.417 1.319 10 0 CDAERP CO[C@@H](C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1)C1CC1 ZINC000660665582 413355458 /nfs/dbraw/zinc/35/54/58/413355458.db2.gz WSKFTABDKBAIBQ-LSDHHAIUSA-N 2 0 252.402 1.829 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000662744297 413417888 /nfs/dbraw/zinc/41/78/88/413417888.db2.gz DARVYAZQULLGKO-MGPQQGTHSA-N 2 0 267.417 1.175 10 0 CDAERP C[C@H](NC(=O)CC1([NH3+])CC1)C1([NH+]2CCOCC2)CCCC1 ZINC000662745747 413422448 /nfs/dbraw/zinc/42/24/48/413422448.db2.gz LDMHXKJDOLLUKG-ZDUSSCGKSA-N 2 0 295.427 1.018 10 0 CDAERP CCO[C@@H](CC[NH+](C)C)CNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662749869 413427902 /nfs/dbraw/zinc/42/79/02/413427902.db2.gz NMFOPPNMROWYEO-ZDUSSCGKSA-N 2 0 297.443 1.121 10 0 CDAERP CC1(CNC(=O)C2([NH2+]C3CC3)CCC2)CC[NH2+]CC1 ZINC000662764388 413459379 /nfs/dbraw/zinc/45/93/79/413459379.db2.gz JPDXDCWIDXFDLV-UHFFFAOYSA-N 2 0 265.401 1.167 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085359177 298575814 /nfs/dbraw/zinc/57/58/14/298575814.db2.gz MUMYSEIRULHXIM-AGIUHOORSA-N 2 0 253.390 1.104 10 0 CDAERP CC[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC[N@@H+]1CCOC ZINC000168059827 287155946 /nfs/dbraw/zinc/15/59/46/287155946.db2.gz CWPDMMRLXFJGDL-QLFBSQMISA-N 2 0 297.443 1.073 10 0 CDAERP CC[C@@H]1CN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC[N@@H+]1CCOC ZINC000246188736 287168097 /nfs/dbraw/zinc/16/80/97/287168097.db2.gz CWPDMMRLXFJGDL-SOUVJXGZSA-N 2 0 297.443 1.073 10 0 CDAERP [NH3+]C[C@H](c1ccccc1F)N1CC[NH+](CC2CC2)CC1 ZINC000020179504 171044577 /nfs/dbraw/zinc/04/45/77/171044577.db2.gz ITWSFARAMZBQMK-MRXNPFEDSA-N 2 0 277.387 1.853 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(C[NH3+])cc1 ZINC000022155950 171362309 /nfs/dbraw/zinc/36/23/09/171362309.db2.gz GEWKZJCQNYZNDY-GFCCVEGCSA-N 2 0 261.369 1.958 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NCC[NH+](C)C2CCCCC2)C1 ZINC000654613606 413507471 /nfs/dbraw/zinc/50/74/71/413507471.db2.gz MWDRCYSQHXNWNM-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)(C)C(=O)N1CCC([NH2+]C[C@H]2CCC[NH2+]C2)CC1 ZINC000130960968 413564446 /nfs/dbraw/zinc/56/44/46/413564446.db2.gz XMEOMAVIVHESRI-ZDUSSCGKSA-N 2 0 281.444 1.613 10 0 CDAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCCC[NH3+])cc1F ZINC000656790124 413674349 /nfs/dbraw/zinc/67/43/49/413674349.db2.gz LNGFLGDGAONCCR-JSGCOSHPSA-N 2 0 281.375 1.218 10 0 CDAERP CC(C)[NH2+]CC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000659323616 413714796 /nfs/dbraw/zinc/71/47/96/413714796.db2.gz XZVDXRGPDXLSPQ-CABCVRRESA-N 2 0 293.386 1.467 10 0 CDAERP C[NH+](C)CC1(CNC(=O)NCC23CC(C2)C[NH2+]3)CCCC1 ZINC000659481072 413871118 /nfs/dbraw/zinc/87/11/18/413871118.db2.gz KJGUQGRZKAQNCA-UHFFFAOYSA-N 2 0 294.443 1.160 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000659436462 413818004 /nfs/dbraw/zinc/81/80/04/413818004.db2.gz LVRAYROGSRSQMW-MGPQQGTHSA-N 2 0 282.432 1.286 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000659436994 413819768 /nfs/dbraw/zinc/81/97/68/413819768.db2.gz XNMKPCWRPUGGMO-GXTWGEPZSA-N 2 0 282.432 1.143 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407271979 413916098 /nfs/dbraw/zinc/91/60/98/413916098.db2.gz PUNNGHCDQQFHNA-UONOGXRCSA-N 2 0 267.417 1.317 10 0 CDAERP CCS(=O)(=O)C1(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000665275406 414009641 /nfs/dbraw/zinc/00/96/41/414009641.db2.gz KAZSFCLIICSXLJ-RYUDHWBXSA-N 2 0 274.430 1.061 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](C)c1ccccn1 ZINC000665233036 413957403 /nfs/dbraw/zinc/95/74/03/413957403.db2.gz ZRPDEOKBMSFDBY-OLZOCXBDSA-N 2 0 251.374 1.529 10 0 CDAERP CS(=O)(=O)CC1(CC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000665234648 413958409 /nfs/dbraw/zinc/95/84/09/413958409.db2.gz HWKQSSXFZYYEKT-NWDGAFQWSA-N 2 0 274.430 1.061 10 0 CDAERP CC(=O)NCc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000665234313 413958472 /nfs/dbraw/zinc/95/84/72/413958472.db2.gz AUGQQBCWRJSJSY-CVEARBPZSA-N 2 0 275.396 1.682 10 0 CDAERP CO[C@H](C[NH2+]C1CCC(C[NH3+])CC1)[C@H]1CCOC1 ZINC000665234714 413959108 /nfs/dbraw/zinc/95/91/08/413959108.db2.gz JDWUIIMSNDHKLD-GNRIBBGQSA-N 2 0 256.390 1.145 10 0 CDAERP CO[C@H](C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])[C@H]1CCOC1 ZINC000665235274 413964468 /nfs/dbraw/zinc/96/44/68/413964468.db2.gz SXAIPHIGUHEGCU-IGQOVBAYSA-N 2 0 256.390 1.145 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000665240440 413973226 /nfs/dbraw/zinc/97/32/26/413973226.db2.gz LEXHPYFBGAFKQR-GRDNDAEWSA-N 3 0 291.439 1.469 10 0 CDAERP C[C@H]1C[C@H](CNC(=O)N2CCN(C)C[C@@H]2C[NH3+])C[C@@H](C)C1 ZINC000659566514 413978787 /nfs/dbraw/zinc/97/87/87/413978787.db2.gz LAXPLHXIZBGKNS-YJNKXOJESA-N 2 0 296.459 1.343 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2ccco2)CC1 ZINC000665285652 414026466 /nfs/dbraw/zinc/02/64/66/414026466.db2.gz SUMSCDYUOQKXFN-CYBMUJFWSA-N 2 0 293.411 1.921 10 0 CDAERP CC[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)CO1 ZINC000657356488 414227380 /nfs/dbraw/zinc/22/73/80/414227380.db2.gz MZFDMGAUAVSJOD-QLFBSQMISA-N 2 0 270.417 1.380 10 0 CDAERP COCC1(C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)CC1 ZINC000655816148 414218557 /nfs/dbraw/zinc/21/85/57/414218557.db2.gz POSOEKYSWHORDE-HNNXBMFYSA-N 2 0 282.428 1.646 10 0 CDAERP CCn1nccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000663472063 414273665 /nfs/dbraw/zinc/27/36/65/414273665.db2.gz WRLNBBKGRJLQGK-RRFJBIMHSA-N 2 0 262.401 1.865 10 0 CDAERP C[C@@H](O)[C@H]1CCC[N@@H+]1C[C@H](O)CN(C)Cc1ccccc1 ZINC000661770663 414347530 /nfs/dbraw/zinc/34/75/30/414347530.db2.gz GPQXUEFKYJPEJT-DJIMGWMZSA-N 2 0 292.423 1.325 10 0 CDAERP C[C@H](CCO)CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657477111 414372653 /nfs/dbraw/zinc/37/26/53/414372653.db2.gz QODRMYPWKNCIPY-ZDUSSCGKSA-N 2 0 274.368 1.766 10 0 CDAERP C[N@H+](CCCC[NH2+]Cc1cnn2c1CCC2)C1CC1 ZINC000657487177 414384302 /nfs/dbraw/zinc/38/43/02/414384302.db2.gz HAFBLLJDOOABEL-UHFFFAOYSA-N 2 0 262.401 1.793 10 0 CDAERP C[C@@H]1C[C@H](C)CN(CC[NH2+][C@H]2C[C@H](O)C23CCC3)C1 ZINC000661828586 414388068 /nfs/dbraw/zinc/38/80/68/414388068.db2.gz VDKYHPGLWCQZGJ-XGUBFFRZSA-N 2 0 266.429 1.857 10 0 CDAERP [NH3+]C[C@H]1C[N@H+](CCO[C@H]2CC2(F)F)CC12CCOCC2 ZINC000662273225 414605526 /nfs/dbraw/zinc/60/55/26/414605526.db2.gz KQGOHWAOUBWGFB-RYUDHWBXSA-N 2 0 290.354 1.098 10 0 CDAERP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1cccc2ncccc12 ZINC000662294970 414619540 /nfs/dbraw/zinc/61/95/40/414619540.db2.gz ITBDKFPWTOQWRH-UHFFFAOYSA-N 2 0 298.390 1.098 10 0 CDAERP C[C@]12COC[C@@H]1C[N@H+](CCCC1CC[NH2+]CC1)C2 ZINC000662311614 414632391 /nfs/dbraw/zinc/63/23/91/414632391.db2.gz UXTCRTBBKOQMAQ-GJZGRUSLSA-N 2 0 252.402 1.735 10 0 CDAERP C[C@@H]([NH3+])[C@H](N(C)C1CC[NH+](C)CC1)C(F)(F)F ZINC000043376450 175030095 /nfs/dbraw/zinc/03/00/95/175030095.db2.gz PTGMRPYEHUEWIR-SCZZXKLOSA-N 2 0 253.312 1.291 10 0 CDAERP CC[NH+]1CCN(C[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000043595985 175076973 /nfs/dbraw/zinc/07/69/73/175076973.db2.gz DGXRYZSGARKXSF-MRXNPFEDSA-N 2 0 259.397 1.511 10 0 CDAERP CC[NH2+][C@@H](CN1CC[NH+](CC)CC1)c1ccc(OC)cc1 ZINC000043806032 175108134 /nfs/dbraw/zinc/10/81/34/175108134.db2.gz RBDOXZFCLJTKFF-KRWDZBQOSA-N 2 0 291.439 1.983 10 0 CDAERP C[NH2+][C@H](c1ccc(OC)cc1)[C@H](C)N1CCC[N@H+](C)CC1 ZINC000043818170 175113085 /nfs/dbraw/zinc/11/30/85/175113085.db2.gz WVNZAQRQKZIEOS-YOEHRIQHSA-N 2 0 291.439 1.982 10 0 CDAERP CC[NH2+][C@H]1CCOC[C@H]1N(CC[NH+](C)C)CC(C)C ZINC000043982298 175133885 /nfs/dbraw/zinc/13/38/85/175133885.db2.gz PRBAPXMQOKCLFI-LSDHHAIUSA-N 2 0 271.449 1.273 10 0 CDAERP C[C@H](NC(=O)C[NH+]1CCC(C[NH3+])CC1)c1ccc(F)cc1 ZINC000044513885 175189244 /nfs/dbraw/zinc/18/92/44/175189244.db2.gz CAURMEMHKZDPNY-LBPRGKRZSA-N 2 0 293.386 1.674 10 0 CDAERP CCC[NH2+]C1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC000044518788 175191471 /nfs/dbraw/zinc/19/14/71/175191471.db2.gz MIFBBUJFUIRCMA-UHFFFAOYSA-N 3 0 253.434 1.792 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C[NH3+])cc1 ZINC000044563325 175207017 /nfs/dbraw/zinc/20/70/17/175207017.db2.gz DFSKKAXNVRHXRA-CQSZACIVSA-N 2 0 261.369 1.359 10 0 CDAERP Cc1nc(CN(C)C2(C[NH3+])CC[NH+](C)CC2)cs1 ZINC000044608902 175216041 /nfs/dbraw/zinc/21/60/41/175216041.db2.gz QIYSAXJUDHDWLE-UHFFFAOYSA-N 2 0 268.430 1.306 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CNC(=O)C1(C[NH3+])CCCCC1 ZINC000044753435 175245927 /nfs/dbraw/zinc/24/59/27/175245927.db2.gz XPDKKUHTWQHXSF-ZDUSSCGKSA-N 2 0 267.417 1.496 10 0 CDAERP CCCN[C@](C)(C[NH+]1CCC(C[NH+](C)C)CC1)C(=O)OC ZINC000045277038 175346805 /nfs/dbraw/zinc/34/68/05/175346805.db2.gz LDRAAGJKYUTYGQ-MRXNPFEDSA-N 2 0 299.459 1.191 10 0 CDAERP CC[NH2+][C@@](C)(CCC[NH+]1[C@@H](C)CCC[C@@H]1C)C(N)=O ZINC000045379731 175368871 /nfs/dbraw/zinc/36/88/71/175368871.db2.gz IBJWZMPAIRWKAL-YDHLFZDLSA-N 2 0 269.433 1.883 10 0 CDAERP C[NH2+][C@@H]1CCCN([C@@H](CC(C)C)C[NH+](C)C)C1=O ZINC000071031988 176022921 /nfs/dbraw/zinc/02/29/21/176022921.db2.gz QTXGBZGJRWZZSR-QWHCGFSZSA-N 2 0 255.406 1.173 10 0 CDAERP CC(C)[NH2+][C@@H]1CCCN([C@H](C)C[NH+]2CCCCC2)C1=O ZINC000071037392 176025718 /nfs/dbraw/zinc/02/57/18/176025718.db2.gz XVPKNMMNGNWSFA-HUUCEWRRSA-N 2 0 281.444 1.850 10 0 CDAERP C[C@H](CN1CCC[C@@H]([NH2+]C2CC2)C1=O)[NH+]1CCCCC1 ZINC000071036408 176025872 /nfs/dbraw/zinc/02/58/72/176025872.db2.gz LGCQWHUEERJSTR-UKRRQHHQSA-N 2 0 279.428 1.604 10 0 CDAERP CC[NH2+][C@@H]1CCCN(C[C@@H](C)[NH+]2CCCCC2)C1=O ZINC000071036393 176026024 /nfs/dbraw/zinc/02/60/24/176026024.db2.gz QNDALBYVDADNOW-ZIAGYGMSSA-N 2 0 267.417 1.461 10 0 CDAERP C[C@@H](CN1CCC[C@@H]([NH2+]C2CC2)C1=O)[NH+]1CCCCC1 ZINC000071036407 176026229 /nfs/dbraw/zinc/02/62/29/176026229.db2.gz LGCQWHUEERJSTR-DZGCQCFKSA-N 2 0 279.428 1.604 10 0 CDAERP Cc1ccsc1[C@H](C[NH3+])N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188099 176062282 /nfs/dbraw/zinc/06/22/82/176062282.db2.gz IWPAVMVEVLTFRQ-OLZOCXBDSA-N 2 0 267.442 1.940 10 0 CDAERP CCC[NH+]1CCC(C[NH3+])(N(C)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000071188592 176064007 /nfs/dbraw/zinc/06/40/07/176064007.db2.gz XWONESZGBSPQJQ-OAHLLOKOSA-N 3 0 282.476 1.073 10 0 CDAERP C[NH2+][C@@H]1CCCCC[C@@H]1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188994 176064614 /nfs/dbraw/zinc/06/46/14/176064614.db2.gz YVEPUGMKMHUFJV-KFWWJZLASA-N 2 0 253.434 1.791 10 0 CDAERP CCOC(=O)[C@@](C)(CCC[N@H+](C)C[C@@H]1CC[NH+](C)C1)NC ZINC000071190918 176068940 /nfs/dbraw/zinc/06/89/40/176068940.db2.gz LQUHQTWSNHFTBJ-GOEBONIOSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)[NH2+]Cc1cc(N(C)C[C@H]2CC[N@H+](C)C2)ccn1 ZINC000071191633 176070579 /nfs/dbraw/zinc/07/05/79/176070579.db2.gz YOABMAULKMYQHH-AWEZNQCLSA-N 2 0 276.428 1.968 10 0 CDAERP CC(C)[C@@H](C[NH2+]C1CC1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191968 176071182 /nfs/dbraw/zinc/07/11/82/176071182.db2.gz JNJYQDOANCWMAE-UKRRQHHQSA-N 2 0 253.434 1.647 10 0 CDAERP C[N@@H+]1CCC[C@H](CNC2=[NH+]C[C@H](C3CC3)S2)C1 ZINC000071307759 176116098 /nfs/dbraw/zinc/11/60/98/176116098.db2.gz PQLMGCOKNCWNQA-ZYHUDNBSSA-N 2 0 253.415 1.799 10 0 CDAERP CC(C)(O)C[NH+]1CCN([C@H]2CCCCC[C@@H]2C[NH3+])CC1 ZINC000071380518 176145034 /nfs/dbraw/zinc/14/50/34/176145034.db2.gz FDUFBQKCXKIOEJ-CABCVRRESA-N 2 0 283.460 1.283 10 0 CDAERP CC[NH2+]CC(CC)(CC)CN1CC[NH+](CC(C)(C)O)CC1 ZINC000071381800 176145527 /nfs/dbraw/zinc/14/55/27/176145527.db2.gz VMUVFUXGWORGCB-UHFFFAOYSA-N 2 0 299.503 1.791 10 0 CDAERP CC[C@H](C(=O)NC1CCC(C[NH+](C)C)CC1)[NH+](C)C ZINC000119842391 287487803 /nfs/dbraw/zinc/48/78/03/287487803.db2.gz PYABEARFUXUBEM-JXQTWKCFSA-N 2 0 269.433 1.563 10 0 CDAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cncc(Cl)c1 ZINC000518308053 260373246 /nfs/dbraw/zinc/37/32/46/260373246.db2.gz AHNVGOHYXJGZMF-UHFFFAOYSA-N 2 0 298.818 1.300 10 0 CDAERP FC(F)Oc1ccc(C[NH2+]C[C@H]2CC[NH2+]C2)cc1 ZINC000398310780 270353762 /nfs/dbraw/zinc/35/37/62/270353762.db2.gz LDFSYVAZDONBNF-NSHDSACASA-N 2 0 256.296 1.987 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)NCC1([NH3+])CCC1 ZINC000652212436 424061919 /nfs/dbraw/zinc/06/19/19/424061919.db2.gz AGOKRUPWVLCOIR-UHFFFAOYSA-N 2 0 276.384 1.087 10 0 CDAERP COC[C@@H]1CCC[N@H+](C[C@H](O)C[NH+](C)C(C)C)CC1 ZINC000660758617 424096547 /nfs/dbraw/zinc/09/65/47/424096547.db2.gz UWBQXPQJQWHDQK-HUUCEWRRSA-N 2 0 272.433 1.436 10 0 CDAERP C[C@H]1CCCN(C(=O)c2cc(C(C)(C)[NH3+])no2)[C@@H]1C[NH3+] ZINC000662424526 424079383 /nfs/dbraw/zinc/07/93/83/424079383.db2.gz TVWUAVRPLWWSSO-VHSXEESVSA-N 2 0 280.372 1.068 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000652224874 424083820 /nfs/dbraw/zinc/08/38/20/424083820.db2.gz JXJHZNZJQRISRN-MRXNPFEDSA-N 2 0 296.459 1.359 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000652223252 424100233 /nfs/dbraw/zinc/10/02/33/424100233.db2.gz AQEMPDXNGPYCRI-STQMWFEESA-N 2 0 272.437 1.389 10 0 CDAERP Cn1c2ccccc2cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1=O ZINC000653501571 424222339 /nfs/dbraw/zinc/22/23/39/424222339.db2.gz ARYOHDCAEKJHBZ-HUUCEWRRSA-N 2 0 283.375 1.190 10 0 CDAERP CC(C)[C@H]([NH3+])CCN(C)C(=O)c1ccccc1CC[NH3+] ZINC000653055092 424176264 /nfs/dbraw/zinc/17/62/64/424176264.db2.gz MGLAJLAKBODSKB-OAHLLOKOSA-N 2 0 277.412 1.633 10 0 CDAERP CN(C(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000653117889 424304043 /nfs/dbraw/zinc/30/40/43/424304043.db2.gz YMDOCIMOHLFZIU-ZNMIVQPWSA-N 2 0 277.412 1.212 10 0 CDAERP CCO[C@@H]1C[N@H+](CCCc2cccc(OC)c2)C[C@H]1C[NH3+] ZINC000652356796 424304498 /nfs/dbraw/zinc/30/44/98/424304498.db2.gz IGAFXBQEVNCKSO-NVXWUHKLSA-N 2 0 292.423 1.923 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)CC1 ZINC000653148675 424375917 /nfs/dbraw/zinc/37/59/17/424375917.db2.gz HZEAPNDNEFTBII-GDVJOBBMSA-N 2 0 293.455 1.754 10 0 CDAERP C[C@H]1CC[C@@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)CS1 ZINC000655686562 424384279 /nfs/dbraw/zinc/38/42/79/424384279.db2.gz KVQFDUQBSPFVPU-UONOGXRCSA-N 2 0 285.501 1.886 10 0 CDAERP CCC[C@@](C)([NH3+])C(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655489409 424506324 /nfs/dbraw/zinc/50/63/24/424506324.db2.gz QMWVZYALMKDTOD-RMRHIDDWSA-N 2 0 285.432 1.118 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1cnccc1C(F)(F)F ZINC000665298801 424518830 /nfs/dbraw/zinc/51/88/30/424518830.db2.gz ABLOPHXBMBKFPM-LLVKDONJSA-N 2 0 291.317 1.944 10 0 CDAERP CC(=O)NCc1ccc(C[NH2+][C@H](C)CCCC[NH3+])cc1 ZINC000665235446 424469697 /nfs/dbraw/zinc/46/96/97/424469697.db2.gz WCYIRUVOLGNCAX-CYBMUJFWSA-N 2 0 277.412 1.930 10 0 CDAERP CC(=O)NCc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000665235046 424470066 /nfs/dbraw/zinc/47/00/66/424470066.db2.gz OTHCLVJGKXXZCV-HZPDHXFCSA-N 2 0 275.396 1.540 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000516058795 270457769 /nfs/dbraw/zinc/45/77/69/270457769.db2.gz OKINBIQCQAFYDT-ZDUSSCGKSA-N 2 0 285.432 1.073 10 0 CDAERP [NH3+]CCCOC1CC[NH+](Cc2cc(CO)ccc2F)CC1 ZINC000530207828 271151972 /nfs/dbraw/zinc/15/19/72/271151972.db2.gz DTKBBOZWQQYJQN-UHFFFAOYSA-N 2 0 296.386 1.648 10 0 CDAERP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H](n1cccn1)C(F)(F)F ZINC000530208663 271152037 /nfs/dbraw/zinc/15/20/37/271152037.db2.gz GOEGBAZRWZWOBS-IJLUTSLNSA-N 2 0 290.333 1.964 10 0 CDAERP C1CC2(C1)[NH2+]CC[C@H]2[NH2+][C@H]1CCC12CCOCC2 ZINC000530216522 271157579 /nfs/dbraw/zinc/15/75/79/271157579.db2.gz QBEILLXYYJIFBR-QWHCGFSZSA-N 2 0 250.386 1.820 10 0 CDAERP CC(C)[C@H](C(=O)NC1CC([NH+]2CCCCC2)C1)[NH+](C)C ZINC000357895529 276012405 /nfs/dbraw/zinc/01/24/05/276012405.db2.gz HCSWONHRFJXHPP-YMAMQOFZSA-N 2 0 281.444 1.706 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000423093810 276288365 /nfs/dbraw/zinc/28/83/65/276288365.db2.gz IMNCQNKJYSFSAZ-ZOBORPQBSA-N 2 0 268.401 1.968 10 0 CDAERP C1CCC2(C1)[C@H]([NH2+]C1CC[NH2+]CC1)[C@H]1CCO[C@@H]12 ZINC000423026791 276851803 /nfs/dbraw/zinc/85/18/03/276851803.db2.gz ODJPIGUYAIXWOE-MCIONIFRSA-N 2 0 250.386 1.676 10 0 CDAERP CC(C)N1CC[C@H]([NH+]2CCC(C[NH+]3CCCC3)CC2)C1=O ZINC000175096858 277627236 /nfs/dbraw/zinc/62/72/36/277627236.db2.gz BGENVDJSCOGMNI-INIZCTEOSA-N 2 0 293.455 1.804 10 0 CDAERP COc1ccccc1N1CC[C@@H]([NH2+][C@@H](C)C2C[NH2+]C2)C1 ZINC000422879156 278053961 /nfs/dbraw/zinc/05/39/61/278053961.db2.gz UTSVSOYYMMMPKO-GXTWGEPZSA-N 2 0 275.396 1.471 10 0 CDAERP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422982128 278800618 /nfs/dbraw/zinc/80/06/18/278800618.db2.gz VQTXUMBBRGKNJC-TWMKSMIVSA-N 2 0 298.471 1.920 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@H]2CCC[NH+]2C[C@@H]1C ZINC000247224053 279310766 /nfs/dbraw/zinc/31/07/66/279310766.db2.gz WJYLVMVNRYHRLA-RRFJBIMHSA-N 2 0 294.443 1.349 10 0 CDAERP CC(C)[C@H](C(=O)N1CCC([NH+](C)C)CC1)[NH+](C)C ZINC000157093713 280141896 /nfs/dbraw/zinc/14/18/96/280141896.db2.gz JFKWGYZVUTZZIW-CYBMUJFWSA-N 2 0 255.406 1.125 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCn2cccn2)[C@@H](C)C1 ZINC000245423633 280207492 /nfs/dbraw/zinc/20/74/92/280207492.db2.gz JPDULNMHIBFYDP-KBPBESRZSA-N 2 0 250.390 1.545 10 0 CDAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H]2CCC[NH+](C)C2)C1 ZINC000247319642 280327816 /nfs/dbraw/zinc/32/78/16/280327816.db2.gz MJCWLDRNZKCGLH-QLFBSQMISA-N 2 0 296.459 1.356 10 0 CDAERP CCCCOC[C@H](O)C[N@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000248646097 280370487 /nfs/dbraw/zinc/37/04/87/280370487.db2.gz HDCBQQGAWASNAJ-SOUVJXGZSA-N 2 0 272.433 1.579 10 0 CDAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1CC[NH2+]CC1 ZINC000182433285 281188493 /nfs/dbraw/zinc/18/84/93/281188493.db2.gz AGYQDUSAETXBKB-UONOGXRCSA-N 2 0 265.401 1.071 10 0 CDAERP CCn1ccnc1[C@H](C)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423283592 281650777 /nfs/dbraw/zinc/65/07/77/281650777.db2.gz XMHMDSKGHRVFSJ-QWHCGFSZSA-N 2 0 250.390 1.943 10 0 CDAERP C[NH+](C)C1(CN[C@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000417353692 282046000 /nfs/dbraw/zinc/04/60/00/282046000.db2.gz JNAAUMSIAYMLML-IHRRRGAJSA-N 2 0 251.418 1.543 10 0 CDAERP CC[C@H](C)C[NH2+]CCN(CC)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001668640386 1173434540 /nfs/dbraw/zinc/43/45/40/1173434540.db2.gz BMZDTRHXZMPFLW-KBPBESRZSA-N 2 0 269.433 1.422 10 0 CDAERP COCC[C@H](COC)[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000311804774 292693398 /nfs/dbraw/zinc/69/33/98/292693398.db2.gz KYDMFYQTNMJTEZ-SOUVJXGZSA-N 2 0 272.433 1.938 10 0 CDAERP C[NH+](C)CC1(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)CCCCC1 ZINC000335306408 289082425 /nfs/dbraw/zinc/08/24/25/289082425.db2.gz KDPQFPYZBBRBHS-GASCZTMLSA-N 2 0 293.455 1.519 10 0 CDAERP C[C@H](C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)[NH+]1CCCCCC1 ZINC000247392675 289312387 /nfs/dbraw/zinc/31/23/87/289312387.db2.gz GUNZTIFPCVMAJG-XHSDSOJGSA-N 2 0 293.455 1.946 10 0 CDAERP CCC[C@H](C(=O)NCCC[NH+]1CCC(C)CC1)[NH+](C)C ZINC000159176576 289328468 /nfs/dbraw/zinc/32/84/68/289328468.db2.gz YXOSYLKAGVNMET-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H](C(=O)N(C)CCC[NH+](C)C)[NH+]1[C@H](C)CC[C@H]1C ZINC000548048168 289834797 /nfs/dbraw/zinc/83/47/97/289834797.db2.gz YJYDFLVKWSXQDG-MCIONIFRSA-N 2 0 269.433 1.658 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCC[C@@H](C)C2)C1 ZINC000553369958 290115934 /nfs/dbraw/zinc/11/59/34/290115934.db2.gz IAVPHYYTWCLGSL-CABCVRRESA-N 2 0 295.471 1.955 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C[NH3+])C2)[C@@H]2CCC[C@@H]21 ZINC000423493999 290224554 /nfs/dbraw/zinc/22/45/54/290224554.db2.gz CKWMOBIDULUCEX-AICCOOGYSA-N 3 0 251.418 1.576 10 0 CDAERP C[C@H]1CC(C)(C)C[N@@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000334856418 290338484 /nfs/dbraw/zinc/33/84/84/290338484.db2.gz WVXJABAYXPJDKF-QWHCGFSZSA-N 2 0 267.417 1.304 10 0 CDAERP CC(C)[NH2+]CCCNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000561208552 293063328 /nfs/dbraw/zinc/06/33/28/293063328.db2.gz PJSHDRAIUCFTHV-UHFFFAOYSA-N 2 0 298.475 1.794 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@]1(N(C)C)CCC[C@@H](C)C1 ZINC000234790233 293096327 /nfs/dbraw/zinc/09/63/27/293096327.db2.gz SCJPDNMZLZQSFI-OWCLPIDISA-N 2 0 285.476 1.840 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N2CCC[C@H](C[NH3+])C2)CC1 ZINC000562797055 293198312 /nfs/dbraw/zinc/19/83/12/293198312.db2.gz QMIBWOFMBRGCRK-OAHLLOKOSA-N 2 0 296.459 1.489 10 0 CDAERP CC[NH+]1CCC(CNC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000562796789 293198313 /nfs/dbraw/zinc/19/83/13/293198313.db2.gz FRQIAMXNRQLRRN-GASCZTMLSA-N 2 0 294.443 1.254 10 0 CDAERP [NH3+]C[C@H](C(=O)N1CCC[C@@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000562804967 293199393 /nfs/dbraw/zinc/19/93/93/293199393.db2.gz MZLWAFKTVCCSNP-FZMZJTMJSA-N 2 0 279.359 1.065 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCN1CCCC1=O ZINC000563262549 293327957 /nfs/dbraw/zinc/32/79/57/293327957.db2.gz XCHPBLCRCGJKNN-UHFFFAOYSA-N 2 0 299.378 1.288 10 0 CDAERP C[C@H]1CC[C@H]([NH2+]CC(=O)N2CC[NH2+]CC2)c2sccc21 ZINC000564822271 293422393 /nfs/dbraw/zinc/42/23/93/293422393.db2.gz KFANLNFMYFDKES-AAEUAGOBSA-N 2 0 293.436 1.708 10 0 CDAERP [NH3+]C1(CNC(=O)CC[NH2+]C2CC2)CCCCCC1 ZINC000568236170 293994749 /nfs/dbraw/zinc/99/47/49/293994749.db2.gz BZISFKKCBSZCRR-UHFFFAOYSA-N 2 0 253.390 1.296 10 0 CDAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC2CCC(C)(C)CC2)CC1 ZINC000568381846 294023878 /nfs/dbraw/zinc/02/38/78/294023878.db2.gz CGQLOVFSXCDHRN-INIZCTEOSA-N 2 0 297.487 1.401 10 0 CDAERP [NH3+]CCCCCCC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371232431 295227786 /nfs/dbraw/zinc/22/77/86/295227786.db2.gz SFYYHSKJGVPMCX-CABCVRRESA-N 2 0 281.444 1.886 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H]1CCCC12CCOCC2 ZINC000423381887 297109758 /nfs/dbraw/zinc/10/97/58/297109758.db2.gz DATIOQMEWMVJKF-MGPQQGTHSA-N 2 0 252.402 1.923 10 0 CDAERP CC(C)[NH2+]C[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001669421654 1173548530 /nfs/dbraw/zinc/54/85/30/1173548530.db2.gz SXBIGZUJKOZLLC-WDEREUQCSA-N 2 0 252.362 1.091 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC1CC1 ZINC001669572049 1173571435 /nfs/dbraw/zinc/57/14/35/1173571435.db2.gz KVEBJEDOLDGCAG-JSGCOSHPSA-N 2 0 267.417 1.365 10 0 CDAERP CCC[NH+]1CCC(C[NH2+]Cc2ccc(CO)o2)CC1 ZINC000174351235 315887266 /nfs/dbraw/zinc/88/72/66/315887266.db2.gz VAPJTNZGZGIHKU-UHFFFAOYSA-N 2 0 266.385 1.984 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CCF)C1 ZINC001672816923 1173800980 /nfs/dbraw/zinc/80/09/80/1173800980.db2.gz ZIHYPCBCRUJPPT-UONOGXRCSA-N 2 0 285.407 1.268 10 0 CDAERP CC1CC[NH+](CCCNC(=O)N(C)CCC[NH+](C)C)CC1 ZINC000185262005 323386776 /nfs/dbraw/zinc/38/67/76/323386776.db2.gz JHNKWCXBIQFRQZ-UHFFFAOYSA-N 2 0 298.475 1.702 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000185553302 323391473 /nfs/dbraw/zinc/39/14/73/323391473.db2.gz KNNZYZCLGHMBIM-UHFFFAOYSA-N 2 0 296.459 1.454 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)N(C)CCC[NH+](C)C)C1 ZINC000185592367 323392528 /nfs/dbraw/zinc/39/25/28/323392528.db2.gz OLEVCZLKLWWKGP-ZDUSSCGKSA-N 2 0 270.421 1.064 10 0 CDAERP O=C(C[C@@H]1CSCC[NH2+]1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000578533520 323961099 /nfs/dbraw/zinc/96/10/99/323961099.db2.gz QWEKHRMPUKZIKR-BFHYXJOUSA-N 2 0 297.468 1.072 10 0 CDAERP CC(C)[NH2+]CCCNC(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000578850111 324037236 /nfs/dbraw/zinc/03/72/36/324037236.db2.gz PXEYDPNHOCVMNH-CQSZACIVSA-N 2 0 281.375 1.372 10 0 CDAERP O=C1CC2(CN1)CC[NH+](Cc1ccc3c(c1)C[NH2+]CC3)CC2 ZINC000583208539 325129428 /nfs/dbraw/zinc/12/94/28/325129428.db2.gz GDBDVLGCKKQQGY-UHFFFAOYSA-N 2 0 299.418 1.434 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN[C@@H]1CC[NH2+][C@H](C)C1 ZINC000583309792 325148886 /nfs/dbraw/zinc/14/88/86/325148886.db2.gz YVQKKWRAYKXSGK-IUODEOHRSA-N 2 0 285.395 1.806 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)CN2CC(C)(C)C2)[C@H](C)C1 ZINC000583701922 325226422 /nfs/dbraw/zinc/22/64/22/325226422.db2.gz DOINMBWVYOEUBA-KGLIPLIRSA-N 2 0 281.444 1.517 10 0 CDAERP Cc1nccn1CCC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000583872569 325257686 /nfs/dbraw/zinc/25/76/86/325257686.db2.gz SLBLTFSCLLOVGP-OAHLLOKOSA-N 2 0 262.401 1.657 10 0 CDAERP C[C@H](NCCC[NH+]1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000584285542 327217982 /nfs/dbraw/zinc/21/79/82/327217982.db2.gz CSYMIGAFAQBMQQ-LSDHHAIUSA-N 2 0 253.434 1.840 10 0 CDAERP C[C@H](C[NH2+]CCCF)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268063431 1159767654 /nfs/dbraw/zinc/76/76/54/1159767654.db2.gz LUEWNSSLZDSHOY-JHJVBQTASA-N 2 0 273.396 1.123 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)CC1CCC1 ZINC001700451673 1176936987 /nfs/dbraw/zinc/93/69/87/1176936987.db2.gz LVILDMUYFHDCMF-JSGCOSHPSA-N 2 0 267.417 1.317 10 0 CDAERP C[NH+](C)CCC(=O)NCC1([NH2+]CCC(C)(C)C)CC1 ZINC001670845601 1160574044 /nfs/dbraw/zinc/57/40/44/1160574044.db2.gz IRMXOYXLJRIVRQ-UHFFFAOYSA-N 2 0 269.433 1.613 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N2CC3CCC2(C[NH3+])CC3)o1 ZINC000653170742 482479668 /nfs/dbraw/zinc/47/96/68/482479668.db2.gz WMMGSZOSNHWNOQ-UHFFFAOYSA-N 2 0 263.341 1.082 10 0 CDAERP CCN1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC000680593170 482518963 /nfs/dbraw/zinc/51/89/63/482518963.db2.gz GQIOURDRGWLXDK-LBPRGKRZSA-N 2 0 276.384 1.314 10 0 CDAERP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](CC3CC3)C2)[C@@H]2CCC[C@@H]21 ZINC000671746789 482543507 /nfs/dbraw/zinc/54/35/07/482543507.db2.gz IVBNZAASAZRELV-QZWWFDLISA-N 2 0 277.456 1.933 10 0 CDAERP [NH3+][C@H](CCC(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1ccccc1 ZINC000669520440 482559668 /nfs/dbraw/zinc/55/96/68/482559668.db2.gz PDXQKBBZFWJSJF-CHWSQXEVSA-N 2 0 297.349 1.580 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000654381079 482563678 /nfs/dbraw/zinc/56/36/78/482563678.db2.gz HKCUYOLZMADREO-NFAWXSAZSA-N 2 0 294.443 1.110 10 0 CDAERP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000684117328 482655557 /nfs/dbraw/zinc/65/55/57/482655557.db2.gz KOJPVGDBOWLIJW-UONOGXRCSA-N 2 0 296.459 1.500 10 0 CDAERP CC1CC[NH+](CCCCNC(=O)NC/C=C\C[NH3+])CC1 ZINC000669365871 482745941 /nfs/dbraw/zinc/74/59/41/482745941.db2.gz ZWDLMGUVAHYGMG-IHWYPQMZSA-N 2 0 282.432 1.313 10 0 CDAERP C[NH+](C)C1(CNC(=O)[C@@H]2CCc3nc[nH]c3C2)CCCC1 ZINC000666528576 482758182 /nfs/dbraw/zinc/75/81/82/482758182.db2.gz XLVLYIJVOIORDH-GFCCVEGCSA-N 2 0 290.411 1.505 10 0 CDAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)[C@H]1CCC[NH2+]C1 ZINC000082281103 482776277 /nfs/dbraw/zinc/77/62/77/482776277.db2.gz VIDBXNPGBBEFTJ-NSHDSACASA-N 2 0 271.324 1.205 10 0 CDAERP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NCC[NH2+]C1CC1 ZINC000237892147 482782328 /nfs/dbraw/zinc/78/23/28/482782328.db2.gz MLHFIGKFRFRTOV-CHWSQXEVSA-N 2 0 253.390 1.152 10 0 CDAERP [NH3+]Cc1cccc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000094462998 482789756 /nfs/dbraw/zinc/78/97/56/482789756.db2.gz FFGMMJYLXINVSU-AWEZNQCLSA-N 2 0 274.368 1.457 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C[C@@H]([NH3+])C(C)C ZINC000228492606 482854425 /nfs/dbraw/zinc/85/44/25/482854425.db2.gz SXZOUSVOFMESCZ-QWHCGFSZSA-N 2 0 255.406 1.303 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH2+]Cc3ccccc32)C1 ZINC000087618424 482883398 /nfs/dbraw/zinc/88/33/98/482883398.db2.gz DTUWXTHENAACOT-UKRRQHHQSA-N 2 0 273.380 1.084 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]([NH3+])c2ccccc2)C1 ZINC000669403410 482887991 /nfs/dbraw/zinc/88/79/91/482887991.db2.gz ZUCXIJZZZORPMX-ZIAGYGMSSA-N 2 0 276.384 1.080 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000136423664 482917316 /nfs/dbraw/zinc/91/73/16/482917316.db2.gz YEOKPKIKSCRMPZ-IJEWVQPXSA-N 2 0 283.460 1.987 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN[C@@H]1CCC[NH2+]CC1 ZINC000666856646 482952176 /nfs/dbraw/zinc/95/21/76/482952176.db2.gz WASHZNAAAQVUTE-OAHLLOKOSA-N 2 0 285.395 1.807 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)N(C)[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000666926881 483004280 /nfs/dbraw/zinc/00/42/80/483004280.db2.gz ZZBAZMWHWNSEOD-DZGCQCFKSA-N 2 0 294.443 1.349 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000250599723 483020869 /nfs/dbraw/zinc/02/08/69/483020869.db2.gz JSMOELBZDZXAEU-FQUUOJAGSA-N 2 0 265.401 1.118 10 0 CDAERP CC(C)[NH2+]CC(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000309848702 483052822 /nfs/dbraw/zinc/05/28/22/483052822.db2.gz ZHBKOSNQNZBATA-CQSZACIVSA-N 2 0 277.412 1.621 10 0 CDAERP Cc1nc(CC[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cs1 ZINC000667023743 483056159 /nfs/dbraw/zinc/05/61/59/483056159.db2.gz IXINBIRFOAYVHF-ZYHUDNBSSA-N 2 0 253.415 1.972 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089457850 483080868 /nfs/dbraw/zinc/08/08/68/483080868.db2.gz BXXPFNYKFHOZJL-KGLIPLIRSA-N 2 0 269.433 1.408 10 0 CDAERP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC/C=C/C[NH3+] ZINC000669489838 483279010 /nfs/dbraw/zinc/27/90/10/483279010.db2.gz OBVAUFIVROSWNL-IHVVCDCBSA-N 2 0 268.405 1.065 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC/C=C\C[NH3+] ZINC000669489837 483279086 /nfs/dbraw/zinc/27/90/86/483279086.db2.gz OBVAUFIVROSWNL-DSYXLKISSA-N 2 0 268.405 1.065 10 0 CDAERP C[C@@H]1CN(Cc2ccnn2-c2cc[nH+]cc2)CCCO1 ZINC000667590771 483342917 /nfs/dbraw/zinc/34/29/17/483342917.db2.gz ARKUIGLTAKCCAN-CYBMUJFWSA-N 2 0 272.352 1.878 10 0 CDAERP CN(Cc1ccnn1-c1cc[nH+]cc1)[C@@H]1CCOC1 ZINC000667597412 483344974 /nfs/dbraw/zinc/34/49/74/483344974.db2.gz LZSHIVOANIAZJE-CQSZACIVSA-N 2 0 258.325 1.488 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCCN(c3ncccn3)C2)C1 ZINC000222950746 483459116 /nfs/dbraw/zinc/45/91/16/483459116.db2.gz DUFNLDKRTUJASR-HZSPNIEDSA-N 2 0 275.400 1.305 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H](O)C1CC1 ZINC000680120981 483541460 /nfs/dbraw/zinc/54/14/60/483541460.db2.gz SBEUMWFWBZJRFX-OAHLLOKOSA-N 2 0 272.352 1.436 10 0 CDAERP C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)CC1CC(O)C1 ZINC000668035189 483542535 /nfs/dbraw/zinc/54/25/35/483542535.db2.gz FCWNKBRPZQVWEI-UHFFFAOYSA-N 2 0 272.352 1.470 10 0 CDAERP C[N@@H+]1CCC[C@]2(CCN(Cc3cnn4c3CCC4)C2)C1 ZINC000668194453 483606333 /nfs/dbraw/zinc/60/63/33/483606333.db2.gz JBPHZXWACYOFLM-INIZCTEOSA-N 2 0 274.412 1.747 10 0 CDAERP CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001691623897 1160721681 /nfs/dbraw/zinc/72/16/81/1160721681.db2.gz NSJFCCPLZKCEPA-UONOGXRCSA-N 2 0 269.433 1.613 10 0 CDAERP CC(C)[NH2+]CCC[C@@H](C)[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061654956 519720911 /nfs/dbraw/zinc/72/09/11/519720911.db2.gz WDLJNDPWLXGJNH-MRXNPFEDSA-N 3 0 284.492 1.332 10 0 CDAERP CC(C)C[NH+]1CCN(CCC[C@@H]2CCC[NH2+]2)CC1 ZINC000055079576 519725357 /nfs/dbraw/zinc/72/53/57/519725357.db2.gz XVHPGQLVTPMKHQ-HNNXBMFYSA-N 2 0 253.434 1.792 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])[C@@H]2C)CC1 ZINC000055132103 519724290 /nfs/dbraw/zinc/72/42/90/519724290.db2.gz NFTZIXJNHZFYBS-KFWWJZLASA-N 2 0 281.444 1.550 10 0 CDAERP CC(C)[NH2+][C@@](C)(C[C@@H](C)N(C)[C@@H]1CCC[N@H+](C)C1)C(N)=O ZINC000068642452 519736669 /nfs/dbraw/zinc/73/66/69/519736669.db2.gz XUFMOIBHZKALJO-FMKPAKJESA-N 2 0 298.475 1.033 10 0 CDAERP CC(C)[C@H](C[NH2+]C1CC1)N1CC[NH+](C2CC2)CC1 ZINC000052371230 519815785 /nfs/dbraw/zinc/81/57/85/519815785.db2.gz YNJATQGTOYZXEU-HNNXBMFYSA-N 2 0 251.418 1.543 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000061298226 519905075 /nfs/dbraw/zinc/90/50/75/519905075.db2.gz GOOMZTUZFDLQOV-GFCCVEGCSA-N 2 0 255.406 1.221 10 0 CDAERP CCC[NH2+]CC1(C[N@H+](CCO)C2CC2)CCOCC1 ZINC000052198049 519909383 /nfs/dbraw/zinc/90/93/83/519909383.db2.gz FIXUGCSVTCEMFJ-UHFFFAOYSA-N 2 0 270.417 1.240 10 0 CDAERP CCC[NH2+]C[C@H](C)N1CC[NH+](C2CCCC2)CC1 ZINC000052573450 519930795 /nfs/dbraw/zinc/93/07/95/519930795.db2.gz XSAOGHIVNHYAKC-AWEZNQCLSA-N 2 0 253.434 1.935 10 0 CDAERP CCC[NH2+]C[C@H](C)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515254 519930813 /nfs/dbraw/zinc/93/08/13/519930813.db2.gz YAAPDWXYSMHNGX-AWEZNQCLSA-N 3 0 255.450 1.896 10 0 CDAERP CC[NH2+]Cc1cc(COCC[NH+](CC)CC)on1 ZINC000052671829 519989979 /nfs/dbraw/zinc/98/99/79/519989979.db2.gz DDSITHCOIZFCFO-UHFFFAOYSA-N 2 0 255.362 1.643 10 0 CDAERP CC[NH2+]Cc1coc(CN2CCC[C@@H]2C[NH+](C)C)c1 ZINC000061654619 520016847 /nfs/dbraw/zinc/01/68/47/520016847.db2.gz JQVLENBWPJWPLZ-CQSZACIVSA-N 2 0 265.401 1.915 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCCF)CC1 ZINC001483738889 1161126010 /nfs/dbraw/zinc/12/60/10/1161126010.db2.gz WWSRDYCFNPRUBW-CYBMUJFWSA-N 2 0 285.407 1.459 10 0 CDAERP CC(C)C[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001485349612 1161276489 /nfs/dbraw/zinc/27/64/89/1161276489.db2.gz IDPIIWWTBASYLB-UONOGXRCSA-N 2 0 269.433 1.421 10 0 CDAERP CCCN(CC[NH+](C)C)Cc1cccnc1C[NH3+] ZINC000061656890 521657801 /nfs/dbraw/zinc/65/78/01/521657801.db2.gz WPMPEFGEEPGFAE-UHFFFAOYSA-N 2 0 250.390 1.314 10 0 CDAERP CCCCC[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001714860620 1179424799 /nfs/dbraw/zinc/42/47/99/1179424799.db2.gz DCTGIEAECHPOLU-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP CC/C=C/CCN1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001714960053 1179477988 /nfs/dbraw/zinc/47/79/88/1179477988.db2.gz UNXXXOXPVUHQDK-IHVVCDCBSA-N 2 0 265.401 1.095 10 0 CDAERP C(C[NH2+][C@@H]1CCN(C2CC2)C1)C[C@@H]1CCCC[NH2+]1 ZINC000050954002 518390992 /nfs/dbraw/zinc/39/09/92/518390992.db2.gz RYVWXKBRXBBPEG-UONOGXRCSA-N 2 0 251.418 1.735 10 0 CDAERP CC(C)(C)[NH2+]CC1(C[N@@H+]2CCC[C@H]2CO)CCOCC1 ZINC000052183327 518753523 /nfs/dbraw/zinc/75/35/23/518753523.db2.gz DTEMYXCOEOSRMZ-AWEZNQCLSA-N 2 0 284.444 1.628 10 0 CDAERP CC(C)(C)[NH2+]CC1(C[N@@H+]2CC[C@H](O)C2)CCOCC1 ZINC000061712122 518753816 /nfs/dbraw/zinc/75/38/16/518753816.db2.gz BBSPVEFHMKRUSW-ZDUSSCGKSA-N 2 0 270.417 1.238 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc[nH+]c(NN)c1 ZINC000051113609 519340022 /nfs/dbraw/zinc/34/00/22/519340022.db2.gz MDZOUGDLTNVJIN-GFCCVEGCSA-N 2 0 279.388 1.073 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000246216422 519678355 /nfs/dbraw/zinc/67/83/55/519678355.db2.gz GHJZZFRRXMCTHA-HZSPNIEDSA-N 2 0 267.417 1.350 10 0 CDAERP CC(C)[NH+]1CCN(CC2(C[NH2+]C3CC3)CCOCC2)CC1 ZINC000052181854 519681788 /nfs/dbraw/zinc/68/17/88/519681788.db2.gz NTAMCRSTHIOQNF-UHFFFAOYSA-N 2 0 295.471 1.561 10 0 CDAERP CC(C)[NH+]1CCN(Cc2csc(C[NH3+])n2)CC1 ZINC000052480067 519682731 /nfs/dbraw/zinc/68/27/31/519682731.db2.gz NDSDXXSQEOPYPX-UHFFFAOYSA-N 2 0 254.403 1.128 10 0 CDAERP CC(C)C[NH+]1CCN(c2nc3sccn3c2C[NH3+])CC1 ZINC000055080300 519729156 /nfs/dbraw/zinc/72/91/56/519729156.db2.gz CYRGCTPCNNTEBU-UHFFFAOYSA-N 2 0 293.440 1.633 10 0 CDAERP CC(C)C[NH2+]C[C@@]1(C[N@@H+]2CCC[C@@H]2CCCO)CCOC1 ZINC000052763318 519745573 /nfs/dbraw/zinc/74/55/73/519745573.db2.gz LDPVAFUJFZQEIJ-IAGOWNOFSA-N 2 0 298.471 1.876 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CC[C@H](COCCC[NH+](C)C)O1 ZINC000052672664 519746506 /nfs/dbraw/zinc/74/65/06/519746506.db2.gz MMOONOFGIDZPJB-HUUCEWRRSA-N 2 0 272.433 1.748 10 0 CDAERP CC(C)OCCN1CCC[N@H+](CCCC[NH3+])CC1 ZINC000049259252 519765633 /nfs/dbraw/zinc/76/56/33/519765633.db2.gz ONZXEEWDWATAEV-UHFFFAOYSA-N 2 0 257.422 1.158 10 0 CDAERP CCC[NH+]1CCC(NC(=O)CC[C@H]2CCCC[NH2+]2)CC1 ZINC000050950160 519845012 /nfs/dbraw/zinc/84/50/12/519845012.db2.gz BYNOZSLGUSJVIS-CQSZACIVSA-N 2 0 281.444 1.899 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[C@H](C)[C@@H]2[NH3+])CC1 ZINC000055141535 519845780 /nfs/dbraw/zinc/84/57/80/519845780.db2.gz QGVRIBMVXXTYEK-CFVMTHIKSA-N 2 0 281.444 1.741 10 0 CDAERP CCC[NH+]1CCN(C[C@@H]2CC[C@H](C[NH2+]C3CC3)O2)CC1 ZINC000052422036 519858612 /nfs/dbraw/zinc/85/86/12/519858612.db2.gz BVMIHFRZVREFRH-CVEARBPZSA-N 2 0 281.444 1.314 10 0 CDAERP CCC1CC[NH+](CCn2cc(C[NH2+]C)nn2)CC1 ZINC000052347000 519859349 /nfs/dbraw/zinc/85/93/49/519859349.db2.gz WYWBJLIKTMTRCB-UHFFFAOYSA-N 2 0 251.378 1.120 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000061298347 519905154 /nfs/dbraw/zinc/90/51/54/519905154.db2.gz SRVCTUPCFBCUHA-CQSZACIVSA-N 2 0 277.412 1.794 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000061291512 519906094 /nfs/dbraw/zinc/90/60/94/519906094.db2.gz JRWADIWMQJHTOU-NWDGAFQWSA-N 2 0 253.390 1.118 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000061290021 519906182 /nfs/dbraw/zinc/90/61/82/519906182.db2.gz SMPIYEUSDVLYDW-GFCCVEGCSA-N 2 0 257.422 1.467 10 0 CDAERP CC[NH2+]CCC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000061287206 519916244 /nfs/dbraw/zinc/91/62/44/519916244.db2.gz KRWYCSWXFLINHZ-UHFFFAOYSA-N 2 0 289.423 1.767 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@@H](C[N@@H+]2CCC[C@@H]2CN(C)C)O1 ZINC000061654511 519924673 /nfs/dbraw/zinc/92/46/73/519924673.db2.gz KUZZGQAFTGVZLU-PMPSAXMXSA-N 2 0 283.460 1.560 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@@H](C[N@@H+]2CCOC(C)(C)C2)O1 ZINC000052481888 519925691 /nfs/dbraw/zinc/92/56/91/519925691.db2.gz KGIYLCRCAMTLLB-KBPBESRZSA-N 2 0 270.417 1.644 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000061266060 519933415 /nfs/dbraw/zinc/93/34/15/519933415.db2.gz SCMNTFBNWZOIGI-CQSZACIVSA-N 2 0 283.460 1.812 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000061267287 519935272 /nfs/dbraw/zinc/93/52/72/519935272.db2.gz YSZXWTAYDHEPHT-CQSZACIVSA-N 2 0 269.433 1.470 10 0 CDAERP CCC[NH2+]C[C@]1(CN2CC[C@H]([NH+]3CCCC3)C2)CCOC1 ZINC000062970421 519939763 /nfs/dbraw/zinc/93/97/63/519939763.db2.gz RPFJRYUGDWODPE-IRXDYDNUSA-N 2 0 295.471 1.563 10 0 CDAERP CC[NH2+]Cc1cnc(N2CCC[C@@H]2C[NH+](C)C)s1 ZINC000061655448 520015801 /nfs/dbraw/zinc/01/58/01/520015801.db2.gz DDXKJCPVBYDCOL-LLVKDONJSA-N 2 0 268.430 1.783 10 0 CDAERP CCC[NH2+][C@H](CN(C)CC[NH+]1CCCC1)C1CC1 ZINC000069075545 520080824 /nfs/dbraw/zinc/08/08/24/520080824.db2.gz HGEQSKAHTCFDPC-OAHLLOKOSA-N 2 0 253.434 1.792 10 0 CDAERP CC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1C[NH+](CCO)CCO ZINC000054560100 520120921 /nfs/dbraw/zinc/12/09/21/520120921.db2.gz UOLVGMNVGFXYMA-BZUAXINKSA-N 2 0 286.460 1.323 10 0 CDAERP CCO[C@H](C[NH3+])CC[N@H+](CCO)Cc1ccccc1 ZINC000062741241 520516467 /nfs/dbraw/zinc/51/64/67/520516467.db2.gz MDLOMNVMNGPIGE-HNNXBMFYSA-N 2 0 266.385 1.235 10 0 CDAERP CC[NH+](CC)C1CCN(C(=O)CC[C@@H](C)[NH3+])CC1 ZINC000070317042 520567464 /nfs/dbraw/zinc/56/74/64/520567464.db2.gz KHBUHBWPOYMCRQ-GFCCVEGCSA-N 2 0 255.406 1.447 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@H]1CCC[C@H]([NH3+])[C@@H]1C ZINC000055123406 520617682 /nfs/dbraw/zinc/61/76/82/520617682.db2.gz GENZPTVYKITAKR-RDBSUJKOSA-N 2 0 269.433 1.598 10 0 CDAERP CCC[C@]1(C(=O)NC[C@H](C)C[NH+]2CCCC2)CC[NH2+]C1 ZINC000062910574 521298990 /nfs/dbraw/zinc/29/89/90/521298990.db2.gz RDAAROWHOPBSOP-HOCLYGCPSA-N 2 0 281.444 1.614 10 0 CDAERP CC[NH+]1CCC(N(C)Cc2ccc[nH+]c2NN)CC1 ZINC000052720817 521563717 /nfs/dbraw/zinc/56/37/17/521563717.db2.gz HRPBFBAWZBKOSC-UHFFFAOYSA-N 2 0 263.389 1.283 10 0 CDAERP CC[N@@H+]1CCCC[C@H](C[NH2+]C)[C@@H]1c1cnn(C)c1 ZINC000070290775 521597487 /nfs/dbraw/zinc/59/74/87/521597487.db2.gz KRRSTFXVBXIHOO-TZMCWYRMSA-N 2 0 250.390 1.803 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@H]1CCC[C@H](C)[C@@H]1[NH3+] ZINC000055139756 521655730 /nfs/dbraw/zinc/65/57/30/521655730.db2.gz INJVDNACEFYCRZ-IHRRRGAJSA-N 2 0 269.433 1.550 10 0 CDAERP CCC1(C(=O)NC[C@@H](C)[NH+]2CCCCC2)CC[NH2+]CC1 ZINC000062849339 521666220 /nfs/dbraw/zinc/66/62/20/521666220.db2.gz NBQKZLOZRXBTJB-CQSZACIVSA-N 2 0 281.444 1.757 10 0 CDAERP C[NH+](C)CCN1CC[NH+]([C@@H]2CCCCCC[C@H]2O)CC1 ZINC000061652735 521764013 /nfs/dbraw/zinc/76/40/13/521764013.db2.gz KITAACKFTOMJGX-HZPDHXFCSA-N 2 0 283.460 1.249 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1c1nc2c(cc1C(N)=[NH2+])CCC2 ZINC000061644642 521876567 /nfs/dbraw/zinc/87/65/67/521876567.db2.gz HCEBXANWQXNZQO-GFCCVEGCSA-N 2 0 287.411 1.385 10 0 CDAERP CCc1ccccc1[C@@H](C[NH3+])N1CCC[N@H+](C)CC1 ZINC000052203407 521932338 /nfs/dbraw/zinc/93/23/38/521932338.db2.gz QYAQICKASAVPNZ-MRXNPFEDSA-N 2 0 261.413 1.886 10 0 CDAERP C[NH2+]CCC[C@@H](C)[NH+]1CCN(c2ccccn2)CC1 ZINC000052418609 521997660 /nfs/dbraw/zinc/99/76/60/521997660.db2.gz SLJFUJWHQCHYGL-CQSZACIVSA-N 2 0 262.401 1.592 10 0 CDAERP CC[C@H]([NH3+])Cc1ccnc(CC[NH+](CC)CC)n1 ZINC000054834796 522334528 /nfs/dbraw/zinc/33/45/28/522334528.db2.gz YBYNPBDJWKKJBX-LBPRGKRZSA-N 2 0 250.390 1.641 10 0 CDAERP C[NH2+][C@@H](CN1CCC[C@@H]1C[NH+](C)C)c1ccc(OC)cc1 ZINC000061643442 522353328 /nfs/dbraw/zinc/35/33/28/522353328.db2.gz GDRWTRQEVFOVKS-WBVHZDCISA-N 2 0 291.439 1.982 10 0 CDAERP COCC1CC[NH+](C[C@@H]2CC[C@@H](C[NH2+]C(C)C)O2)CC1 ZINC000070082810 522934362 /nfs/dbraw/zinc/93/43/62/522934362.db2.gz PBLLKXRLXUOAFM-HOTGVXAUSA-N 2 0 284.444 1.890 10 0 CDAERP COCCC[N@H+](CCC[C@H]1CCC[NH2+]1)CCOC ZINC000052764491 523242015 /nfs/dbraw/zinc/24/20/15/523242015.db2.gz NGRTUPIQXQGHPO-CQSZACIVSA-N 2 0 258.406 1.504 10 0 CDAERP COCC[N@H+](C)CCn1c(C)cc2c1CCC[C@H]2[NH3+] ZINC000061380797 523617375 /nfs/dbraw/zinc/61/73/75/523617375.db2.gz RPEPOBCAOALRPN-CQSZACIVSA-N 2 0 265.401 1.711 10 0 CDAERP COCC[N@H+](Cc1ccc[nH+]c1NN)[C@H](C)C1CC1 ZINC000052721122 523763290 /nfs/dbraw/zinc/76/32/90/523763290.db2.gz URZXJTXVPLAWQZ-LLVKDONJSA-N 2 0 264.373 1.614 10 0 CDAERP CN(C(=O)[C@H]1CCC[C@H](CC[NH3+])C1)C1CC[NH+](C)CC1 ZINC000055145650 523909458 /nfs/dbraw/zinc/90/94/58/523909458.db2.gz XPJIVNQOVNSHQR-KGLIPLIRSA-N 2 0 281.444 1.694 10 0 CDAERP CC[C@H](C)[NH+]1CCN(CC2(C[NH2+]C)CCOCC2)CC1 ZINC000055072791 523952283 /nfs/dbraw/zinc/95/22/83/523952283.db2.gz JJKGJXKKFCWJHX-HNNXBMFYSA-N 2 0 283.460 1.419 10 0 CDAERP CC[C@H](C)[NH+]1CCN(CCC[C@@H]2CCC[NH2+]2)CC1 ZINC000055066931 523952757 /nfs/dbraw/zinc/95/27/57/523952757.db2.gz ASZKOSSKIGAKOJ-GJZGRUSLSA-N 2 0 253.434 1.935 10 0 CDAERP CC[C@H](C)[NH+]1CCN(CCC[C@@](C)([NH3+])C(=O)OC)CC1 ZINC000055070214 523953536 /nfs/dbraw/zinc/95/35/36/523953536.db2.gz ICSFALQXUSWMEN-DZGCQCFKSA-N 2 0 285.432 1.073 10 0 CDAERP CNC(=O)CCC[N@H+](CCC[NH3+])C1CCCCC1 ZINC000068817124 524063206 /nfs/dbraw/zinc/06/32/06/524063206.db2.gz WKJPJJNOMASLNK-UHFFFAOYSA-N 2 0 255.406 1.496 10 0 CDAERP CNC(=O)CCC[NH+]1CCC(C[NH2+]C(C)C)CC1 ZINC000068847527 524063715 /nfs/dbraw/zinc/06/37/15/524063715.db2.gz UOFXMVIWKQQFHS-UHFFFAOYSA-N 2 0 255.406 1.223 10 0 CDAERP Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@@H]2CCC[NH2+]C2)o1 ZINC000037825227 524405047 /nfs/dbraw/zinc/40/50/47/524405047.db2.gz WNIMFGJNFVHGPA-CQSZACIVSA-N 2 0 293.411 1.478 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[C@H]([NH3+])C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000246263865 524452895 /nfs/dbraw/zinc/45/28/95/524452895.db2.gz LGHPZJYOEPYRAG-MQYQWHSLSA-N 2 0 267.417 1.350 10 0 CDAERP C[C@H](C[NH2+]C1CC1)CN1CC[NH+](C2CCCC2)CC1 ZINC000052573482 524478586 /nfs/dbraw/zinc/47/85/86/524478586.db2.gz UWELKZGAFHGALE-CQSZACIVSA-N 2 0 265.445 1.935 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000055141889 524601727 /nfs/dbraw/zinc/60/17/27/524601727.db2.gz DWBHTUXXURDBGL-ZNMIVQPWSA-N 2 0 281.444 1.885 10 0 CDAERP C[C@H]([NH3+])[C@@H](c1ccccc1)N1CCN(CC[NH+](C)C)CC1 ZINC000061642349 524838313 /nfs/dbraw/zinc/83/83/13/524838313.db2.gz ZKJAUZBOBOUUFX-RDJZCZTQSA-N 2 0 290.455 1.254 10 0 CDAERP C[C@H]([NH3+])[C@H](c1cccnc1)N1CCC[C@@H]1C[NH+](C)C ZINC000061642233 524854619 /nfs/dbraw/zinc/85/46/19/524854619.db2.gz MFPMJDQLLCNSPS-NWANDNLSSA-N 2 0 262.401 1.496 10 0 CDAERP COc1ccc([C@H]([NH3+])CN2CC[NH+](CC(C)C)CC2)cc1 ZINC000055079018 525364284 /nfs/dbraw/zinc/36/42/84/525364284.db2.gz KIGZJDCODKRHIE-QGZVFWFLSA-N 2 0 291.439 1.969 10 0 CDAERP Cc1ccc(C(N)=[NH2+])c(N2CC[NH+](C3CC3)CC2)c1 ZINC000051579423 526012640 /nfs/dbraw/zinc/01/26/40/526012640.db2.gz LWBNSUHBFIKKFT-UHFFFAOYSA-N 2 0 258.369 1.563 10 0 CDAERP O=C(CC[C@@H]1CCC[NH2+]C1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062942850 526554605 /nfs/dbraw/zinc/55/46/05/526554605.db2.gz UBFNWTKZEGTOOR-LSDHHAIUSA-N 2 0 279.428 1.463 10 0 CDAERP [NH3+]Cc1ccccc1OCC(=O)NCC[NH+]1CCCCC1 ZINC000049574415 527260949 /nfs/dbraw/zinc/26/09/49/527260949.db2.gz YJAPQXPCJRPDNT-UHFFFAOYSA-N 2 0 291.395 1.126 10 0 CDAERP [NH3+][C@@H]1CCC[C@H](CC(=O)NCC[NH+]2CCCCC2)C1 ZINC000055138397 527358023 /nfs/dbraw/zinc/35/80/23/527358023.db2.gz BZYMKASQCQNIHL-UONOGXRCSA-N 2 0 267.417 1.496 10 0 CDAERP CCCC[C@H](C[NH3+])NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000418440271 535028858 /nfs/dbraw/zinc/02/88/58/535028858.db2.gz HDYWWYNLQFBZBV-HZSPNIEDSA-N 2 0 282.432 1.145 10 0 CDAERP CCC[NH2+]CCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000261671693 535170120 /nfs/dbraw/zinc/17/01/20/535170120.db2.gz PIISRGHGDNPZBG-UPJWGTAASA-N 2 0 253.390 1.023 10 0 CDAERP CC[NH+](CC)[C@@H](C)CNC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000103603369 535642114 /nfs/dbraw/zinc/64/21/14/535642114.db2.gz ROOPLHOVQIIXQB-AWEZNQCLSA-N 2 0 298.475 1.700 10 0 CDAERP C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000247486296 535943642 /nfs/dbraw/zinc/94/36/42/535943642.db2.gz TWJWCBLSPSWWQD-DLBZAZTESA-N 2 0 292.423 1.448 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CC1([C@H](O)C(C)C)CC1 ZINC000423013821 536593688 /nfs/dbraw/zinc/59/36/88/536593688.db2.gz GWRARPOFCNMAAB-CHWSQXEVSA-N 2 0 258.406 1.127 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000234726028 536596864 /nfs/dbraw/zinc/59/68/64/536596864.db2.gz HHDCFUXRJLDVRL-CHWSQXEVSA-N 2 0 280.368 1.170 10 0 CDAERP CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CCCF)C1)[NH+](C)C ZINC001688950004 1175076555 /nfs/dbraw/zinc/07/65/55/1175076555.db2.gz SBZXVKLTYCJNPV-AVGNSLFASA-N 2 0 273.396 1.171 10 0 CDAERP CCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001689109955 1175098595 /nfs/dbraw/zinc/09/85/95/1175098595.db2.gz DWWCJYLLHHPQRC-PMPSAXMXSA-N 2 0 295.471 1.955 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]CCCN2CCCCCC2=O)C12CCC2 ZINC000925508436 617396473 /nfs/dbraw/zinc/39/64/73/617396473.db2.gz HBEIWFSWEOAYDW-ZIAGYGMSSA-N 2 0 279.428 1.639 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925510147 617405612 /nfs/dbraw/zinc/40/56/12/617405612.db2.gz SRGXRBASDAEXEU-HZSPNIEDSA-N 2 0 253.434 1.966 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]CCN2CCc3ccccc3C2)C12CCC2 ZINC000925526120 617448566 /nfs/dbraw/zinc/44/85/66/617448566.db2.gz GZSHUNPITBHEDQ-IAGOWNOFSA-N 2 0 285.435 1.904 10 0 CDAERP Cc1noc(C)c1CCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925541302 617483222 /nfs/dbraw/zinc/48/32/22/617483222.db2.gz KPNREMDBCMYQBH-AMSCCUFHSA-N 2 0 275.396 1.810 10 0 CDAERP COC(=O)N1CCC([NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925569878 617518770 /nfs/dbraw/zinc/51/87/70/617518770.db2.gz VIEMNXPSDLEKKI-WCQYABFASA-N 2 0 283.416 1.713 10 0 CDAERP CCn1cnnc1CC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925576317 617524190 /nfs/dbraw/zinc/52/41/90/617524190.db2.gz XKEGUKYDTVBOQR-RYUDHWBXSA-N 2 0 265.405 1.336 10 0 CDAERP CN1CCC[N@H+](CCCN[C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925607519 617550883 /nfs/dbraw/zinc/55/08/83/617550883.db2.gz CHBUZJGXSAHMRV-MRXNPFEDSA-N 2 0 294.487 1.278 10 0 CDAERP CC(C)COC[C@H](O)C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925613236 617558137 /nfs/dbraw/zinc/55/81/37/617558137.db2.gz QURUOLSEPRQVPN-BFHYXJOUSA-N 2 0 272.433 1.516 10 0 CDAERP CC1(C)[C@@H]([NH2+]CCCCCCO)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925633597 617579331 /nfs/dbraw/zinc/57/93/31/617579331.db2.gz FISZHOPRZWOSSK-IHRRRGAJSA-N 2 0 254.418 1.905 10 0 CDAERP C[C@H]([NH2+]CC1(n2cc(Br)cn2)CC1)C1C[NH2+]C1 ZINC000925840784 617872018 /nfs/dbraw/zinc/87/20/18/617872018.db2.gz XDULCFHITBWKCQ-VIFPVBQESA-N 2 0 299.216 1.332 10 0 CDAERP CCNC(=O)C1(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)CCC1 ZINC000925650302 617593591 /nfs/dbraw/zinc/59/35/91/617593591.db2.gz NLOFMWBHZICWQN-STQMWFEESA-N 2 0 281.444 1.788 10 0 CDAERP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3CCC4(CCC4)O3)C[C@]2(C)C1 ZINC000933733643 617598685 /nfs/dbraw/zinc/59/86/85/617598685.db2.gz HGLHQVYAMKYZGN-ILXRZTDVSA-N 2 0 264.413 1.972 10 0 CDAERP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@@H]1CCc3nc[nH]c3C1)[NH2+]2 ZINC000925669096 617625542 /nfs/dbraw/zinc/62/55/42/617625542.db2.gz OYRWHYOUXJKMCY-CYRBOEJBSA-N 2 0 260.385 1.386 10 0 CDAERP CC1(C)C[C@@H]([NH2+][C@H]2COc3ccccc3[C@H]2O)C[C@@H]([NH3+])C1 ZINC000925669021 617625623 /nfs/dbraw/zinc/62/56/23/617625623.db2.gz NQCXEYZJAQJEEI-TWJWRFFLSA-N 2 0 290.407 1.977 10 0 CDAERP Cc1nccnc1CC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925677698 617645258 /nfs/dbraw/zinc/64/52/58/617645258.db2.gz ZGZQVUMGUKSXOZ-VHDGCEQUSA-N 2 0 274.412 1.694 10 0 CDAERP CC1(C)[C@H]([NH2+][C@@H]2CCC[C@@H](CO)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925695619 617716971 /nfs/dbraw/zinc/71/69/71/617716971.db2.gz XIBPFXQWOGBUJS-ARILJUKYSA-N 2 0 266.429 1.904 10 0 CDAERP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCO[C@@H]1CCOC1 ZINC000931765035 617720123 /nfs/dbraw/zinc/72/01/23/617720123.db2.gz UZYDPIOHQZLNHU-GOEBONIOSA-N 2 0 291.395 1.398 10 0 CDAERP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC[C@H]1CC(=O)N(C)C1 ZINC000925807839 617748304 /nfs/dbraw/zinc/74/83/04/617748304.db2.gz DMKDMYWTQNFEHO-BPUTZDHNSA-N 2 0 289.423 1.403 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000925808573 617749748 /nfs/dbraw/zinc/74/97/48/617749748.db2.gz YWPUUHKRTURLTB-KZZRWZIVSA-N 2 0 296.333 1.438 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C2CC(CC(N)=O)C2)C1 ZINC000925824359 617801997 /nfs/dbraw/zinc/80/19/97/617801997.db2.gz SBMRQMHFDPNMTL-RUJICJSRSA-N 2 0 253.390 1.136 10 0 CDAERP CSC1(C[NH2+][C@H]2CN3C[C@@H]2CCC3)CC[NH+](C)CC1 ZINC000926448605 617804594 /nfs/dbraw/zinc/80/45/94/617804594.db2.gz ODNXZNYSLWBBJZ-KBPBESRZSA-N 2 0 283.485 1.498 10 0 CDAERP CCN1CCC[C@H]([NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)C1=O ZINC000925827161 617839313 /nfs/dbraw/zinc/83/93/13/617839313.db2.gz MVVDSDGGAGQREL-AVGNSLFASA-N 2 0 267.417 1.493 10 0 CDAERP CC(C)COC[C@@H](O)C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000923426427 618332627 /nfs/dbraw/zinc/33/26/27/618332627.db2.gz DKORQQLREIWJHG-HOTGVXAUSA-N 2 0 284.444 1.486 10 0 CDAERP C[C@@H]1COC[C@@H](C)C1[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000925021817 618792116 /nfs/dbraw/zinc/79/21/16/618792116.db2.gz BWRNTGXIQISPPP-KFWWJZLASA-N 2 0 284.444 1.484 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H]1C)[NH+](CC)CC ZINC000928447643 619095549 /nfs/dbraw/zinc/09/55/49/619095549.db2.gz KZIFQCRTDMIMBA-YNEHKIRRSA-N 2 0 255.406 1.316 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000895708899 619812748 /nfs/dbraw/zinc/81/27/48/619812748.db2.gz XCZBMYBLSBQUGM-CHWSQXEVSA-N 2 0 269.433 1.706 10 0 CDAERP CN(C(=O)[C@H]1CC[NH+]1C(C)(C)C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000896989277 620339432 /nfs/dbraw/zinc/33/94/32/620339432.db2.gz QDGZKMGZDAPHNI-UONOGXRCSA-N 2 0 279.428 1.554 10 0 CDAERP C[NH+](C)CC1(NC(=O)[C@@]23CC[N@H+](C2)CCC3)CCC1 ZINC000897660343 621055686 /nfs/dbraw/zinc/05/56/86/621055686.db2.gz LLISLWKEVUEHCO-AWEZNQCLSA-N 2 0 265.401 1.073 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000925318321 621058285 /nfs/dbraw/zinc/05/82/85/621058285.db2.gz GLZSFRAHHPERJX-ZIAGYGMSSA-N 2 0 284.448 1.308 10 0 CDAERP CC[C@@H](C[C@@](C)(O)CC)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000924628828 621599369 /nfs/dbraw/zinc/59/93/69/621599369.db2.gz LTYVLXUJHXGHIP-RDJZCZTQSA-N 2 0 299.503 1.932 10 0 CDAERP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccnnc2)CC1 ZINC000924670293 621647549 /nfs/dbraw/zinc/64/75/49/621647549.db2.gz MBOSMUOMXHSZRG-KBPBESRZSA-N 2 0 277.416 1.153 10 0 CDAERP CC(C)[NH+]1CCC([NH2+][C@@H]2CCc3nnn(C)c3C2)CC1 ZINC000927143512 621848440 /nfs/dbraw/zinc/84/84/40/621848440.db2.gz AIJXHDLRWHXLPP-CYBMUJFWSA-N 2 0 277.416 1.135 10 0 CDAERP CC[C@H](CNC(=[NH2+])N[C@H](C)C1CC1)[NH+]1CCCC1 ZINC000899266025 622130402 /nfs/dbraw/zinc/13/04/02/622130402.db2.gz NSOFEJLMCHDYPC-DGCLKSJQSA-N 2 0 252.406 1.773 10 0 CDAERP C[N@H+](Cc1ccccc1)C1(CNC(N)=[NH2+])CCOCC1 ZINC000899262239 622133777 /nfs/dbraw/zinc/13/37/77/622133777.db2.gz HXYRRMZLQAGXJM-UHFFFAOYSA-N 2 0 276.384 1.151 10 0 CDAERP C[N@H+]1CC=C(C[NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)CC1 ZINC000902896242 625591636 /nfs/dbraw/zinc/59/16/36/625591636.db2.gz ISNUSMRIGQVFFO-RFBLXINOSA-N 2 0 262.397 1.651 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000900803313 623506355 /nfs/dbraw/zinc/50/63/55/623506355.db2.gz ZJOXWVJXBCENBA-ZIAGYGMSSA-N 2 0 279.428 1.413 10 0 CDAERP CC[N@@H+]1C[C@H](C)N(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000901271706 624090041 /nfs/dbraw/zinc/09/00/41/624090041.db2.gz OADMMWSPMRWMPB-OLZOCXBDSA-N 2 0 265.401 1.023 10 0 CDAERP CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903434331 625991358 /nfs/dbraw/zinc/99/13/58/625991358.db2.gz CFUTWWJTROAWTM-WCVJEAGWSA-N 2 0 295.471 1.859 10 0 CDAERP C[N@@H+](Cc1ccc(S(C)(=O)=O)cc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903439065 625992052 /nfs/dbraw/zinc/99/20/52/625992052.db2.gz CGKXKZOFHISDII-KGLIPLIRSA-N 2 0 296.436 1.649 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000903460028 625995449 /nfs/dbraw/zinc/99/54/49/625995449.db2.gz UVSLBUFEFYCMCU-BVUBDWEXSA-N 3 0 281.444 1.060 10 0 CDAERP CC(C)NC(=O)[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903464156 625996847 /nfs/dbraw/zinc/99/68/47/625996847.db2.gz BQNKWFAHHWWUNP-MCIONIFRSA-N 2 0 267.417 1.079 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CC[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000903444229 625998130 /nfs/dbraw/zinc/99/81/30/625998130.db2.gz QEZUFCLLVXBOND-XGUBFFRZSA-N 3 0 253.434 1.776 10 0 CDAERP CCOC(=O)[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903455127 626001882 /nfs/dbraw/zinc/00/18/82/626001882.db2.gz QQPGANUIFFFKMA-AGIUHOORSA-N 2 0 254.374 1.117 10 0 CDAERP COC(=O)CC[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903478730 626005649 /nfs/dbraw/zinc/00/56/49/626005649.db2.gz MVUQSGQRDUQOLD-RDBSUJKOSA-N 2 0 268.401 1.507 10 0 CDAERP CO[C@H]1C[C@@H](CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)C1 ZINC000903505822 626009530 /nfs/dbraw/zinc/00/95/30/626009530.db2.gz IFCHUGLSNKNVAE-KBUHXBOVSA-N 2 0 293.455 1.312 10 0 CDAERP CCC(C)(C)[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903897453 626137184 /nfs/dbraw/zinc/13/71/84/626137184.db2.gz DSVAUYOIRDBVDQ-NSHDSACASA-N 2 0 251.378 1.481 10 0 CDAERP CC[C@@H]1[C@H](C)CC[N@@H+]1C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903913891 626146070 /nfs/dbraw/zinc/14/60/70/626146070.db2.gz FIWLNOHEVDAVAQ-XNRPHZJLSA-N 2 0 278.444 1.966 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[NH2+][C@H]2CCCOCC2)cnn1C ZINC000903924969 626148537 /nfs/dbraw/zinc/14/85/37/626148537.db2.gz AMNUOZMGTJMNQQ-ZFWWWQNUSA-N 2 0 280.416 1.005 10 0 CDAERP CN1c2ccccc2C[C@@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1=O ZINC000903932489 626152305 /nfs/dbraw/zinc/15/23/05/626152305.db2.gz CIJSFNIOTMPCIP-YPAMNDHTSA-N 2 0 299.418 1.694 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCC[C@H](CCF)C2)cnn1C ZINC000903932747 626152365 /nfs/dbraw/zinc/15/23/65/626152365.db2.gz GGLNHBDJENTAOK-CABCVRRESA-N 2 0 296.434 1.918 10 0 CDAERP FC1(F)CC[NH2+]C[C@H]1C[NH2+]C1CCSCC1 ZINC000903958155 626158456 /nfs/dbraw/zinc/15/84/56/626158456.db2.gz WBSOHOJTVRWOLH-VIFPVBQESA-N 2 0 250.358 1.716 10 0 CDAERP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903966841 626172173 /nfs/dbraw/zinc/17/21/73/626172173.db2.gz CYMZAQIUOBNZSD-AGIUHOORSA-N 2 0 293.386 1.988 10 0 CDAERP c1nc(C2CC2)sc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000904396548 626274022 /nfs/dbraw/zinc/27/40/22/626274022.db2.gz KPQVUZNDTFPGQP-UHFFFAOYSA-N 2 0 266.414 1.015 10 0 CDAERP C[NH+](C)Cc1cccc(NC(=O)N2C[C@H]([NH3+])C(C)(C)C2)c1 ZINC000905296552 626724924 /nfs/dbraw/zinc/72/49/24/626724924.db2.gz VSCGNCBRVBTCKL-AWEZNQCLSA-N 2 0 290.411 1.949 10 0 CDAERP C[NH+](C)CCONC(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000908526853 628244833 /nfs/dbraw/zinc/24/48/33/628244833.db2.gz AJAPCNLFIJKKIG-UHFFFAOYSA-N 2 0 290.367 1.514 10 0 CDAERP CC[C@H](C(=O)N1CC([NH+]2CCCC2)C1)[NH+](CC)CC ZINC000912324559 629936145 /nfs/dbraw/zinc/93/61/45/629936145.db2.gz FDDIKQYDWIJREG-CQSZACIVSA-N 2 0 267.417 1.413 10 0 CDAERP O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)C12CC[NH+](CC1)C2 ZINC000913160279 630380917 /nfs/dbraw/zinc/38/09/17/630380917.db2.gz XAQXIBQNWROJMC-AWEZNQCLSA-N 2 0 277.412 1.215 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC(C)([NH+](C)C)CC1 ZINC000913398292 630467082 /nfs/dbraw/zinc/46/70/82/630467082.db2.gz WFUWPHQPSYTNEL-UHFFFAOYSA-N 2 0 255.406 1.271 10 0 CDAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC2CCCCCCC2)CC1 ZINC000840745005 630683028 /nfs/dbraw/zinc/68/30/28/630683028.db2.gz BYIUFBHOXMCWAM-KRWDZBQOSA-N 2 0 297.487 1.545 10 0 CDAERP CC1(C)[C@@H]([NH2+]C[C@H]2CCCCO2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925480896 632805623 /nfs/dbraw/zinc/80/56/23/632805623.db2.gz LQARMKOWSACBCL-MQYQWHSLSA-N 2 0 252.402 1.922 10 0 CDAERP C[C@H](C[NH2+]Cc1cc[nH]c(=O)c1)C[NH+]1CCCCC1 ZINC000921563698 633089248 /nfs/dbraw/zinc/08/92/48/633089248.db2.gz OPRYJDIAXXHEGD-CYBMUJFWSA-N 2 0 263.385 1.999 10 0 CDAERP CC[C@H](C(=O)N(C)CC[NH2+]CC[C@H](C)F)[NH+](C)C ZINC001266741389 1158797644 /nfs/dbraw/zinc/79/76/44/1158797644.db2.gz SCKMCKSDLRFOQF-NWDGAFQWSA-N 2 0 261.385 1.123 10 0 CDAERP CC(C)=CC[NH2+]CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001691321646 1159017220 /nfs/dbraw/zinc/01/72/20/1159017220.db2.gz GBJSHSDRQBGSOS-HNNXBMFYSA-N 2 0 279.428 1.342 10 0 CDAERP CC1CC(C[NH2+]CCN(C)C(=O)CCc2c[nH]cn2)C1 ZINC001691340466 1159026947 /nfs/dbraw/zinc/02/69/47/1159026947.db2.gz GBWDVFNOLPVFEL-UHFFFAOYSA-N 2 0 278.400 1.436 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]C(C)C ZINC001690844663 1158782939 /nfs/dbraw/zinc/78/29/39/1158782939.db2.gz KEUQYRRZPOPSKP-ZIAGYGMSSA-N 2 0 269.433 1.754 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)OC(=O)COC1CC[NH+](C)CC1 ZINC001649246083 1158774796 /nfs/dbraw/zinc/77/47/96/1158774796.db2.gz SEAHUVROEORJSN-AWEZNQCLSA-N 2 0 286.416 1.227 10 0 CDAERP CC[C@@H]1C[N@H+](C)CCN1C(=O)C1CC[NH+](CC(C)C)CC1 ZINC001417878185 1158793666 /nfs/dbraw/zinc/79/36/66/1158793666.db2.gz HTMYNADSNZNCDU-MRXNPFEDSA-N 2 0 295.471 1.907 10 0 CDAERP C1C[C@H]2[C@@H](C[NH2+]1)[C@H]2c1nc([C@H]2C[NH+]3CCC2CC3)no1 ZINC001772538518 1158810661 /nfs/dbraw/zinc/81/06/61/1158810661.db2.gz IMHFMRQEXLESPL-RNJOBUHISA-N 2 0 274.368 1.202 10 0 CDAERP CC(C)(C[NH3+])C1CC[NH+](C[C@@H]2C[C@@H]3COC[C@H]3O2)CC1 ZINC000724587366 1159145900 /nfs/dbraw/zinc/14/59/00/1159145900.db2.gz ASGSEHWRLATACA-VHDGCEQUSA-N 2 0 282.428 1.487 10 0 CDAERP CC(C)[N@H+](C)C[C@@H](O)CN1CCC(F)(C2CC2)CC1 ZINC000724680068 1159200207 /nfs/dbraw/zinc/20/02/07/1159200207.db2.gz CFXHOVQAABTZMB-CQSZACIVSA-N 2 0 272.408 1.902 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)CC[NH2+]Cc1cncs1 ZINC001267458481 1159383823 /nfs/dbraw/zinc/38/38/23/1159383823.db2.gz PZUBEQDRQXZVHG-UHFFFAOYSA-N 2 0 284.429 1.033 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCC(C)C)C1 ZINC001267750923 1159591522 /nfs/dbraw/zinc/59/15/22/1159591522.db2.gz RRHMBQNTDVCETC-CQSZACIVSA-N 2 0 269.433 1.565 10 0 CDAERP CC[C@@H](C)C[NH2+]C1(CNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001670807268 1160169000 /nfs/dbraw/zinc/16/90/00/1160169000.db2.gz HPQDSCMJTSQYRA-CHWSQXEVSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@@H](F)CC[N@H+](C)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001409565465 1160848424 /nfs/dbraw/zinc/84/84/24/1160848424.db2.gz IOGOXQNERFRKGE-ZIAGYGMSSA-N 2 0 299.434 1.799 10 0 CDAERP C[C@@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH+](C)C ZINC000810091654 1163165437 /nfs/dbraw/zinc/16/54/37/1163165437.db2.gz DGJYQPZATSALGV-SMDDNHRTSA-N 2 0 273.396 1.265 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001483929774 1161241061 /nfs/dbraw/zinc/24/10/61/1161241061.db2.gz OHQUTHHHWALVKI-LSDHHAIUSA-N 2 0 279.428 1.319 10 0 CDAERP C[C@H](CCc1cccnc1)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000866259930 1164758288 /nfs/dbraw/zinc/75/82/88/1164758288.db2.gz IEXJXSZOSZTLFW-HZPDHXFCSA-N 2 0 290.455 1.628 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000866709705 1164812840 /nfs/dbraw/zinc/81/28/40/1164812840.db2.gz ZDNRKRQLGDQMQK-HLLBOEOZSA-N 2 0 295.471 1.547 10 0 CDAERP C[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1ccc(-n3ccnc3)cc1)C2 ZINC000872154609 1165386972 /nfs/dbraw/zinc/38/69/72/1165386972.db2.gz YDXMMFUVVKWQOI-DOTOQJQBSA-N 2 0 282.391 1.914 10 0 CDAERP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158237 1165387602 /nfs/dbraw/zinc/38/76/02/1165387602.db2.gz UGNWDKRQCBFEKU-UAGQMJEPSA-N 3 0 297.487 1.576 10 0 CDAERP C[N@H+](CCC[NH2+]C[C@@H](O)CC(C)(C)O)Cc1ccccc1 ZINC000872196563 1165391140 /nfs/dbraw/zinc/39/11/40/1165391140.db2.gz HVLMXSIILSUOCX-INIZCTEOSA-N 2 0 294.439 1.620 10 0 CDAERP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000872289976 1165411692 /nfs/dbraw/zinc/41/16/92/1165411692.db2.gz HNBHBKSOCBAQSH-SQWLQELKSA-N 2 0 279.428 1.496 10 0 CDAERP CC[N@@H+]1CCN(C(=O)[C@@H](C)CC[NH+](C)C)C[C@H]1C ZINC001630692973 1166223766 /nfs/dbraw/zinc/22/37/66/1166223766.db2.gz KDADQFDHDLULQS-QWHCGFSZSA-N 2 0 255.406 1.127 10 0 CDAERP C[N@@H+]1C[C@@H](NC(=O)CCCn2ccnc2)C(C)(C)C1 ZINC001635643677 1166606681 /nfs/dbraw/zinc/60/66/81/1166606681.db2.gz DPLNJQKLBBUBCV-GFCCVEGCSA-N 2 0 264.373 1.120 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC[NH2+]C(C)(C)C)C1 ZINC001638371919 1166842059 /nfs/dbraw/zinc/84/20/59/1166842059.db2.gz LJLXSJVMTVEDTJ-CHWSQXEVSA-N 2 0 269.433 1.611 10 0 CDAERP CC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001566633426 1168362305 /nfs/dbraw/zinc/36/23/05/1168362305.db2.gz OQTHZUDSRMKPNW-UDLYIEAKSA-N 2 0 293.455 1.875 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC=C(C)C)C1 ZINC001566859214 1168447471 /nfs/dbraw/zinc/44/74/71/1168447471.db2.gz RSNMSHCXZTZSAC-GASCZTMLSA-N 2 0 281.444 1.921 10 0 CDAERP CCC[NH2+]C[C@H](C)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001568279774 1169218646 /nfs/dbraw/zinc/21/86/46/1169218646.db2.gz SDRSVPKQZUVCRG-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP CC[NH+](CC)CC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC001649366191 1169244494 /nfs/dbraw/zinc/24/44/94/1169244494.db2.gz ZEUCNDOPUKGTKH-UKRRQHHQSA-N 2 0 281.444 1.850 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC/C=C/C[NH2+]CC1CCOCC1 ZINC001568969316 1169567647 /nfs/dbraw/zinc/56/76/47/1169567647.db2.gz JVTGXSQIYYIIBI-SNAWJCMRSA-N 2 0 297.443 1.015 10 0 CDAERP C[C@H](C[NH2+]CCCCCF)NC(=O)C12CCC[NH+]1CCC2 ZINC001569004541 1169590689 /nfs/dbraw/zinc/59/06/89/1169590689.db2.gz MVNQMAFLQPGZRO-CQSZACIVSA-N 2 0 299.434 1.849 10 0 CDAERP CC[NH+](CC)C1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001650006210 1169596731 /nfs/dbraw/zinc/59/67/31/1169596731.db2.gz QNXLXWYPZZCDAS-KRWDZBQOSA-N 2 0 293.455 1.805 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CC=C(C)C ZINC001570648070 1170221115 /nfs/dbraw/zinc/22/11/15/1170221115.db2.gz SQRMKCXQFBBVAX-UONOGXRCSA-N 2 0 269.433 1.777 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@@H]1C[N@H+](C)CC1(C)C ZINC001652492476 1171445502 /nfs/dbraw/zinc/44/55/02/1171445502.db2.gz YPRAZSUUJKVTEN-JHJVBQTASA-N 2 0 267.417 1.316 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1CC[NH3+] ZINC000070552832 1171670630 /nfs/dbraw/zinc/67/06/30/1171670630.db2.gz CVJCSCBYBVIQSC-AWEZNQCLSA-N 2 0 275.396 1.402 10 0 CDAERP CCC[NH2+]CC[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001666172605 1173115367 /nfs/dbraw/zinc/11/53/67/1173115367.db2.gz JTZOMDYKWKELSO-OAHLLOKOSA-N 2 0 281.444 1.711 10 0 CDAERP C[C@H](CC[NH2+]Cc1ccon1)NC(=O)C[N@H+](C)C1CCC1 ZINC001668092102 1173367515 /nfs/dbraw/zinc/36/75/15/1173367515.db2.gz JECPEKXUDRJBCJ-GFCCVEGCSA-N 2 0 294.399 1.143 10 0 CDAERP CC/C=C\CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001674257940 1173927648 /nfs/dbraw/zinc/92/76/48/1173927648.db2.gz GFSWLKWMFXVLKN-RWCKICOTSA-N 2 0 281.444 1.779 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[NH+]1CCCC1 ZINC001676272902 1174197666 /nfs/dbraw/zinc/19/76/66/1174197666.db2.gz FKQURNKMJDDTFV-DZGCQCFKSA-N 2 0 299.434 1.657 10 0 CDAERP CC[N@H+](C)CCN(C(=O)C[NH+]1CC[C@@H](C)C1)C(C)C ZINC001677211594 1174334895 /nfs/dbraw/zinc/33/48/95/1174334895.db2.gz RQWLRLHRZNCDPO-CQSZACIVSA-N 2 0 269.433 1.517 10 0 CDAERP CC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001690131366 1175382866 /nfs/dbraw/zinc/38/28/66/1175382866.db2.gz QPHJKYFFGZSLJG-ZDUSSCGKSA-N 2 0 267.417 1.317 10 0 CDAERP CCCCC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001690668317 1175540719 /nfs/dbraw/zinc/54/07/19/1175540719.db2.gz AOXOEUNXRBYVMW-HNNXBMFYSA-N 2 0 293.455 1.996 10 0 CDAERP CCc1cc(N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)nc(C)n1 ZINC000131043659 1175773127 /nfs/dbraw/zinc/77/31/27/1175773127.db2.gz CMJMOOVNEBZPEZ-YUTCNCBUSA-N 2 0 260.385 1.911 10 0 CDAERP CC(C)=CC[NH2+]C[C@](C)(NC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001698649271 1175886280 /nfs/dbraw/zinc/88/62/80/1175886280.db2.gz OGKQXIANAXCMBN-WBVHZDCISA-N 2 0 293.455 1.921 10 0 CDAERP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C[NH2+]C/C=C\Cl ZINC001698770102 1175925970 /nfs/dbraw/zinc/92/59/70/1175925970.db2.gz GHHGDIGITWXISK-UNIPXTFRSA-N 2 0 287.835 1.423 10 0 CDAERP C[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H]1C[NH2+]CCF ZINC001698951553 1175994010 /nfs/dbraw/zinc/99/40/10/1175994010.db2.gz ZNGCNAPFKBKUOJ-ZIAGYGMSSA-N 2 0 299.434 1.514 10 0 CDAERP CC[N@H+](C)CCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001698990612 1176016733 /nfs/dbraw/zinc/01/67/33/1176016733.db2.gz CLTPNSMOSRORSU-KGLIPLIRSA-N 2 0 267.417 1.413 10 0 CDAERP CCCCC[NH2+]CC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001699148466 1176113123 /nfs/dbraw/zinc/11/31/23/1176113123.db2.gz VBIASIXFCMWQPB-AWEZNQCLSA-N 2 0 281.444 1.757 10 0 CDAERP CCN(CC[NH2+]CCC(C)(C)C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001699217965 1176145502 /nfs/dbraw/zinc/14/55/02/1176145502.db2.gz YKBVVCRDRUWOFQ-AWEZNQCLSA-N 2 0 283.460 1.812 10 0 CDAERP O=C(NC/C=C/C[NH2+]CCCF)C12CCC[NH+](CCC1)C2 ZINC001699271725 1176190413 /nfs/dbraw/zinc/19/04/13/1176190413.db2.gz JABQSYWTSFSWCU-OWOJBTEDSA-N 2 0 297.418 1.484 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]CC2CC2)CC[N@@H+]1C ZINC001699363136 1176317650 /nfs/dbraw/zinc/31/76/50/1176317650.db2.gz LUBMWAXIMAUYCY-KWCYVHTRSA-N 2 0 267.417 1.221 10 0 CDAERP CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001700225130 1176806311 /nfs/dbraw/zinc/80/63/11/1176806311.db2.gz WSAVOHUIAYYRAG-ZDUSSCGKSA-N 2 0 267.417 1.319 10 0 CDAERP CC[C@@H](C)C[N@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001700474550 1176962878 /nfs/dbraw/zinc/96/28/78/1176962878.db2.gz QIEAQIXOHAYLFA-OLZOCXBDSA-N 2 0 257.422 1.421 10 0 CDAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CCCF ZINC001700750492 1177114665 /nfs/dbraw/zinc/11/46/65/1177114665.db2.gz ALYZSHHDLBOILI-UONOGXRCSA-N 2 0 287.423 1.655 10 0 CDAERP CCCC[NH2+][C@H](CO)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001700789442 1177134907 /nfs/dbraw/zinc/13/49/07/1177134907.db2.gz NPHKMUVZCBKTFC-AWEZNQCLSA-N 2 0 299.459 1.118 10 0 CDAERP CCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001700845600 1177163774 /nfs/dbraw/zinc/16/37/74/1177163774.db2.gz KBPMHQXROKHSPX-ZIAGYGMSSA-N 2 0 281.444 1.850 10 0 CDAERP CCC[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001700862440 1177169700 /nfs/dbraw/zinc/16/97/00/1177169700.db2.gz GIGMKIYLVOGUQZ-HIFRSBDPSA-N 2 0 267.417 1.461 10 0 CDAERP CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001707137151 1177955994 /nfs/dbraw/zinc/95/59/94/1177955994.db2.gz DXLZSTCAWHLDGG-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001713160783 1178405362 /nfs/dbraw/zinc/40/53/62/1178405362.db2.gz XIBKHNCSQKNNRC-ZQDZILKHSA-N 2 0 281.444 1.754 10 0 CDAERP CC/C=C\CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001713205501 1178431300 /nfs/dbraw/zinc/43/13/00/1178431300.db2.gz MDJYZOJQGTYOFC-HDBOXQQCSA-N 2 0 293.455 1.921 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CCCF)C1 ZINC001713229308 1178444669 /nfs/dbraw/zinc/44/46/69/1178444669.db2.gz SXGKSWSWXSPNRZ-KBPBESRZSA-N 2 0 285.407 1.268 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001713245592 1178449991 /nfs/dbraw/zinc/44/99/91/1178449991.db2.gz IYWFCSQPYYJIQG-ZIAGYGMSSA-N 2 0 267.417 1.176 10 0 CDAERP CCCC[NH2+][C@H]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001713382790 1178529396 /nfs/dbraw/zinc/52/93/96/1178529396.db2.gz UGVMOQHTMBZZFG-LSDHHAIUSA-N 2 0 281.444 1.899 10 0 CDAERP CC[NH2+]Cc1ccccc1NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000237067820 1178531572 /nfs/dbraw/zinc/53/15/72/1178531572.db2.gz VVGKKOBTSRIHRI-YPMHNXCESA-N 2 0 261.369 1.862 10 0 CDAERP CC(C)CCC[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001713448100 1178566713 /nfs/dbraw/zinc/56/67/13/1178566713.db2.gz RFUDNLWRCPQEPG-CQSZACIVSA-N 2 0 269.433 1.565 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]([NH2+]CC1CCC1)C1CC1 ZINC001713875907 1178808711 /nfs/dbraw/zinc/80/87/11/1178808711.db2.gz KFKJRXLWYPYTOX-CQSZACIVSA-N 2 0 267.417 1.223 10 0 CDAERP C[N@H+](CC(=O)N[C@](C)(C[NH2+]CCF)C1CC1)C1CCC1 ZINC001714164621 1178998285 /nfs/dbraw/zinc/99/82/85/1178998285.db2.gz KFOJIKPNQHOWPC-OAHLLOKOSA-N 2 0 285.407 1.315 10 0 CDAERP CCC[NH2+]C[C@](C)(NC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001714168336 1178999280 /nfs/dbraw/zinc/99/92/80/1178999280.db2.gz BSMCNKTXLNBALM-HNNXBMFYSA-N 2 0 281.444 1.613 10 0 CDAERP CCCC[NH2+][C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001714234432 1179036266 /nfs/dbraw/zinc/03/62/66/1179036266.db2.gz AVGHAWLSULJBPA-TZMCWYRMSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]CCC(F)(F)F ZINC001714450675 1179144472 /nfs/dbraw/zinc/14/44/72/1179144472.db2.gz QTPQFYKVLQQMBX-LLVKDONJSA-N 2 0 295.349 1.377 10 0 CDAERP CC(C)[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001715811475 1179837146 /nfs/dbraw/zinc/83/71/46/1179837146.db2.gz DLARYXUOUXZRTG-GXMNPTEKSA-N 2 0 267.417 1.530 10 0 CDAERP Cc1ccccc1C[NH2+]C/C=C\CNC(=O)CC[NH+](C)C ZINC001716339328 1180160033 /nfs/dbraw/zinc/16/00/33/1180160033.db2.gz CVAXRKMKHJYKIW-SREVYHEPSA-N 2 0 289.423 1.709 10 0 CDAERP CCC[NH2+]C[C@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001716452525 1180218635 /nfs/dbraw/zinc/21/86/35/1180218635.db2.gz GWQHDCQHFPITSG-AWEZNQCLSA-N 2 0 291.439 1.909 10 0 CDAERP CC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001716552308 1180281956 /nfs/dbraw/zinc/28/19/56/1180281956.db2.gz DPHUOPBKOOBCQR-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH2+]C[C@H]1CC[C@@H](C)O1 ZINC001716587301 1180295751 /nfs/dbraw/zinc/29/57/51/1180295751.db2.gz XLKAGAKFDNXBDI-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001717084076 1180527073 /nfs/dbraw/zinc/52/70/73/1180527073.db2.gz HLOIHCTVKHEBRY-UKRRQHHQSA-N 2 0 279.428 1.176 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001717125106 1180538050 /nfs/dbraw/zinc/53/80/50/1180538050.db2.gz GFIZMLNXHUZGQV-KKUMJFAQSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)=CC[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CCC1 ZINC001717156900 1180552927 /nfs/dbraw/zinc/55/29/27/1180552927.db2.gz ONGFVMONICYLJO-UHFFFAOYSA-N 2 0 293.455 1.923 10 0 CDAERP CC/C=C\CC[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001717388025 1180642030 /nfs/dbraw/zinc/64/20/30/1180642030.db2.gz JKIMTWWLRWAQTL-UWENSZNPSA-N 2 0 293.455 1.921 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC1CC(C[NH2+]CCF)C1 ZINC001717394291 1180645780 /nfs/dbraw/zinc/64/57/80/1180645780.db2.gz GPNHZZATYBMTIZ-RUXDESIVSA-N 2 0 285.407 1.315 10 0 CDAERP O=C(N[C@H]1C[C@H](C[NH2+]CCF)C1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001717649623 1180773748 /nfs/dbraw/zinc/77/37/48/1180773748.db2.gz RRLIJFZMDMKJDK-KBUPBQIOSA-N 2 0 297.418 1.457 10 0 CDAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCCO ZINC001717744873 1180823251 /nfs/dbraw/zinc/82/32/51/1180823251.db2.gz JZLQYZCYPZZCGA-HUUCEWRRSA-N 2 0 299.459 1.068 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001723451107 1181565761 /nfs/dbraw/zinc/56/57/61/1181565761.db2.gz NYEPQUAGYPDHSM-YVACAVLKSA-N 2 0 293.455 1.875 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001723523840 1181582951 /nfs/dbraw/zinc/58/29/51/1181582951.db2.gz NNGIAHBCUUNDLP-CQSZACIVSA-N 2 0 281.444 1.899 10 0 CDAERP CCCC[NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCOCC1 ZINC001724921395 1181794376 /nfs/dbraw/zinc/79/43/76/1181794376.db2.gz BYULOCNRABVGKE-UHFFFAOYSA-N 2 0 297.443 1.137 10 0 CDAERP CCCC[NH2+]CC1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001725067754 1181842692 /nfs/dbraw/zinc/84/26/92/1181842692.db2.gz VXZUOZGUEJSSJT-NRXISQOPSA-N 2 0 281.444 1.755 10 0 CDAERP CCCC[NH2+][C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001725513058 1182031052 /nfs/dbraw/zinc/03/10/52/1182031052.db2.gz FETWXNMIDJOZKM-ZDUSSCGKSA-N 2 0 267.417 1.319 10 0 CDAERP CC1(CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)CC[NH2+]CC1 ZINC000183373310 1182257262 /nfs/dbraw/zinc/25/72/62/1182257262.db2.gz AFGNJVPBMPJXDS-RYUDHWBXSA-N 2 0 253.390 1.010 10 0 CDAERP CC(C)[NH2+][C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001731601557 1182473439 /nfs/dbraw/zinc/47/34/39/1182473439.db2.gz NTIZGWVWHOZVOF-ZDUSSCGKSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]CCC(C)(C)C)CC[N@@H+]1C ZINC001731911800 1182674927 /nfs/dbraw/zinc/67/49/27/1182674927.db2.gz VPGAHWPRMDSZQL-ZIAGYGMSSA-N 2 0 283.460 1.811 10 0 CDAERP CN(CC[NH2+]CC1CCCCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001731984802 1182714603 /nfs/dbraw/zinc/71/46/03/1182714603.db2.gz ZKJZGGQEBPEGNF-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP CCC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001732201801 1182853911 /nfs/dbraw/zinc/85/39/11/1182853911.db2.gz QNFGYGDPMIGADO-KGLIPLIRSA-N 2 0 269.433 1.755 10 0 CDAERP CCC[NH2+]C[C@@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001732364372 1182927233 /nfs/dbraw/zinc/92/72/33/1182927233.db2.gz BGRPKIUOUIDFIL-CHWSQXEVSA-N 2 0 255.406 1.080 10 0 CDAERP C[C@@H](C[NH2+]CCF)N(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001732456090 1182975344 /nfs/dbraw/zinc/97/53/44/1182975344.db2.gz WDAYFDOKLIIORY-ZDUSSCGKSA-N 2 0 295.402 1.768 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]C/C=C/Cl ZINC001732859690 1183162678 /nfs/dbraw/zinc/16/26/78/1183162678.db2.gz QTMADAAYSXZVBZ-NQOOEFMWSA-N 2 0 299.846 1.875 10 0 CDAERP COC[C@H](C)[NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001732886707 1183171090 /nfs/dbraw/zinc/17/10/90/1183171090.db2.gz TWEUDNVKXJTDMC-GXMNPTEKSA-N 2 0 297.443 1.158 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+]C/C=C/Cl ZINC001732979193 1183216266 /nfs/dbraw/zinc/21/62/66/1183216266.db2.gz RIXZCFVKJYOGLM-MVIFTORASA-N 2 0 261.797 1.175 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)C[NH2+]CC)C1 ZINC001733010339 1183235729 /nfs/dbraw/zinc/23/57/29/1183235729.db2.gz VMGNBFSJMRSVQN-STQMWFEESA-N 2 0 255.406 1.223 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CCCF)C1CC1 ZINC001733169708 1183314631 /nfs/dbraw/zinc/31/46/31/1183314631.db2.gz BPSOJDWQXLOADP-HUUCEWRRSA-N 2 0 299.434 1.703 10 0 CDAERP CCOCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001733274136 1183378870 /nfs/dbraw/zinc/37/88/70/1183378870.db2.gz APVYLBBVHVAGCM-CABCVRRESA-N 2 0 297.443 1.040 10 0 CDAERP C[C@]1(C[NH2+]CCF)CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001733441286 1183433889 /nfs/dbraw/zinc/43/38/89/1183433889.db2.gz FCFZCSNIYXEOTB-CVEARBPZSA-N 2 0 297.418 1.270 10 0 CDAERP CCCCCC[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001733579146 1183470662 /nfs/dbraw/zinc/47/06/62/1183470662.db2.gz QZPWQAWAUOQUSE-IYBDPMFKSA-N 2 0 295.471 1.909 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H](C[NH2+]CCF)CC2)C1 ZINC001733691888 1183497925 /nfs/dbraw/zinc/49/79/25/1183497925.db2.gz OJDUVKUXZHECKD-MGPQQGTHSA-N 2 0 285.407 1.172 10 0 CDAERP CC[NH2+]C1(CC)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001733809210 1183537636 /nfs/dbraw/zinc/53/76/36/1183537636.db2.gz IEZUOPTUXREMKQ-UHFFFAOYSA-N 2 0 267.417 1.463 10 0 CDAERP CC(C)C[NH2+][C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001733855593 1183551209 /nfs/dbraw/zinc/55/12/09/1183551209.db2.gz ALTFMLHWPPLSJD-CABCVRRESA-N 2 0 283.460 1.811 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H](C)[NH2+]CC1CCC1 ZINC001734003541 1183610985 /nfs/dbraw/zinc/61/09/85/1183610985.db2.gz SVMIAMAITDHQCQ-CHWSQXEVSA-N 2 0 269.433 1.611 10 0 CDAERP CC[NH2+]CCC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001734248985 1183703806 /nfs/dbraw/zinc/70/38/06/1183703806.db2.gz VNYZXLFGDQKSGP-CYBMUJFWSA-N 2 0 269.433 1.755 10 0 CDAERP CC[C@@H](C)C[N@H+]1CC=C(CNC(=O)CC[NH+](C)C)CC1 ZINC001734631909 1183854194 /nfs/dbraw/zinc/85/41/94/1183854194.db2.gz VSJZJIODPAVHAX-CQSZACIVSA-N 2 0 281.444 1.733 10 0 CDAERP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2[NH2+]CC[C@H]3CCCC[C@H]32)C1 ZINC000383700966 1187266865 /nfs/dbraw/zinc/26/68/65/1187266865.db2.gz CJMNYLOGXUGZLV-KBUPBQIOSA-N 2 0 279.428 1.223 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)C1CC[NH+](C)CC1 ZINC000848571799 811884936 /nfs/dbraw/zinc/88/49/36/811884936.db2.gz UGMYGZOIBRTRTD-SMDDNHRTSA-N 2 0 281.400 1.290 10 0 CDAERP C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866702515 812844123 /nfs/dbraw/zinc/84/41/23/812844123.db2.gz BVEJDEFJNLNYBF-BLLLJJGKSA-N 2 0 283.460 1.987 10 0 CDAERP Cn1c(Cl)ncc1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000848548089 812865575 /nfs/dbraw/zinc/86/55/75/812865575.db2.gz UOROPIHPVQOBPM-UHFFFAOYSA-N 2 0 254.765 1.425 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)NCCCCCC[NH3+] ZINC000843511122 805001575 /nfs/dbraw/zinc/00/15/75/805001575.db2.gz HPEOYOWTCALRDW-GFCCVEGCSA-N 2 0 255.406 1.400 10 0 CDAERP CC1(C)C[NH2+][C@H]1C(=O)N1c2ccccc2[C@H]([NH3+])C1(C)C ZINC000867988836 805003481 /nfs/dbraw/zinc/00/34/81/805003481.db2.gz VFSGESFJXMLFKW-STQMWFEESA-N 2 0 273.380 1.810 10 0 CDAERP C[NH+](C)Cc1cccc(NC(=O)C=C2CC[NH2+]CC2)c1 ZINC000852859489 805056854 /nfs/dbraw/zinc/05/68/54/805056854.db2.gz VNAXSHFBYSZLDM-UHFFFAOYSA-N 2 0 273.380 1.997 10 0 CDAERP C[N@H+](CC1CC[NH+](C)CC1)CN1C[C@H]2CCC[C@@H]2C1=O ZINC000839990876 805067656 /nfs/dbraw/zinc/06/76/56/805067656.db2.gz KWIDJNOYIWOXOX-CABCVRRESA-N 2 0 279.428 1.476 10 0 CDAERP C(CC[NH+]1CCOCC1)C[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000921538671 805082222 /nfs/dbraw/zinc/08/22/22/805082222.db2.gz WQMTVZOFOGEENP-BRWVUGGUSA-N 2 0 296.455 1.894 10 0 CDAERP Cc1csc([C@H]2CC[N@H+](C[C@H]3CC[NH2+]C3)C2)n1 ZINC000872147348 805170223 /nfs/dbraw/zinc/17/02/23/805170223.db2.gz HXHXAYSOEDACBJ-RYUDHWBXSA-N 2 0 251.399 1.850 10 0 CDAERP CC1(C)[C@@H]([NH2+]CCC2(C[NH3+])CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925701471 805258497 /nfs/dbraw/zinc/25/84/97/805258497.db2.gz AEDUAQWJKWVDKF-AGIUHOORSA-N 3 0 251.418 1.482 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)Nc2cc(C[NH+](C)C)ccn2)CC[N@@H+]1C ZINC000866351721 805284700 /nfs/dbraw/zinc/28/47/00/805284700.db2.gz MFNKYGGBKLKYPE-UONOGXRCSA-N 2 0 290.411 1.812 10 0 CDAERP C[C@@H]1C[C@@H](C)[N@H+](CCc2ccc(C(N)=O)cc2)C[C@H]1C[NH3+] ZINC000866667847 811076742 /nfs/dbraw/zinc/07/67/42/811076742.db2.gz ZYZGWXBAPNKZRJ-XJKCOSOUSA-N 2 0 289.423 1.633 10 0 CDAERP C=C/C=C/CC[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923446706 811166848 /nfs/dbraw/zinc/16/68/48/811166848.db2.gz NHMIHWDWRDGHDM-RDFMZFSFSA-N 2 0 250.386 1.949 10 0 CDAERP CC[C@@H]1CCN(C(=[NH2+])NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000864452043 811176593 /nfs/dbraw/zinc/17/65/93/811176593.db2.gz LHCSDNHXOCPURB-OLZOCXBDSA-N 2 0 264.417 1.727 10 0 CDAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000711022283 811325097 /nfs/dbraw/zinc/32/50/97/811325097.db2.gz IICFWTFQPUHRAM-XUXIUFHCSA-N 2 0 265.401 1.199 10 0 CDAERP C[C@](O)(C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)c1cccs1 ZINC000925614677 811341956 /nfs/dbraw/zinc/34/19/56/811341956.db2.gz ZYWGMJVKWJXRTP-LOWVWBTDSA-N 2 0 266.410 1.815 10 0 CDAERP CCC[C@@H]1C[NH2+]CCN1C(=O)CCC12CC(C1)C[NH2+]2 ZINC000870939057 811464112 /nfs/dbraw/zinc/46/41/12/811464112.db2.gz JRTMGFQYUIYKHA-JVWICGRDSA-N 2 0 265.401 1.119 10 0 CDAERP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H]2CCC3(COC3)O2)C1 ZINC000929791877 811548132 /nfs/dbraw/zinc/54/81/32/811548132.db2.gz WJBRYNMXBHUGOH-ZIAGYGMSSA-N 2 0 268.401 1.208 10 0 CDAERP CC1(CC[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)OCCO1 ZINC000925638266 811799179 /nfs/dbraw/zinc/79/91/79/811799179.db2.gz ADLCAJDXRSJOOP-NWDGAFQWSA-N 2 0 256.390 1.635 10 0 CDAERP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925840577 811800309 /nfs/dbraw/zinc/80/03/09/811800309.db2.gz BOEKZOCLTMCVKH-KCPJHIHWSA-N 2 0 262.401 1.911 10 0 CDAERP CC(C)([NH3+])CCN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925736199 811803527 /nfs/dbraw/zinc/80/35/27/811803527.db2.gz CTWCFDBOBJMDQU-UONOGXRCSA-N 2 0 253.434 1.872 10 0 CDAERP CCc1cc(=O)[nH]c(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000923500708 811835681 /nfs/dbraw/zinc/83/56/81/811835681.db2.gz XAYURSVRSOHCKW-MNOVXSKESA-N 2 0 264.373 1.161 10 0 CDAERP C[NH+](C)CCOCC[NH2+][C@H]1CCOC12CCCCC2 ZINC000926253602 811837256 /nfs/dbraw/zinc/83/72/56/811837256.db2.gz GWRJAZZZDHXTRW-AWEZNQCLSA-N 2 0 270.417 1.646 10 0 CDAERP COC(=O)C1(C[NH+]2C[C@]3(C)CN(C)C[C@@]3(C)C2)CC1 ZINC000931314025 811842277 /nfs/dbraw/zinc/84/22/77/811842277.db2.gz INCXKGUIFAKDIZ-KBPBESRZSA-N 2 0 266.385 1.213 10 0 CDAERP C[C@H]1CCC[N@H+](CCNC(=O)C=C2CC[NH2+]CC2)C1 ZINC000852858991 811854526 /nfs/dbraw/zinc/85/45/26/811854526.db2.gz KOINRNHHQKXHAR-ZDUSSCGKSA-N 2 0 265.401 1.144 10 0 CDAERP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000854229418 811869706 /nfs/dbraw/zinc/86/97/06/811869706.db2.gz NIEZVPUIVBRQFJ-RVMXOQNASA-N 2 0 274.355 1.778 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870906379 811888858 /nfs/dbraw/zinc/88/88/58/811888858.db2.gz LWIRSLAJYFRLAA-SHOKAGSKSA-N 2 0 277.412 1.118 10 0 CDAERP C[NH+](C)C1(C)CCC([NH2+]C[C@H]2CCC[NH2+]C2)CC1 ZINC000715518061 811917207 /nfs/dbraw/zinc/91/72/07/811917207.db2.gz JEUUGMKITRIOFR-NFOMZHRRSA-N 3 0 253.434 1.839 10 0 CDAERP C[C@H](CNC(=[NH2+])N1CCO[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000848995246 812001615 /nfs/dbraw/zinc/00/16/15/812001615.db2.gz LWUQZPAFTWTNKW-KGLIPLIRSA-N 2 0 282.432 1.353 10 0 CDAERP Cc1cc([C@H](C)[NH2+]CCCCCN2CC[NH2+]CC2)n(C)n1 ZINC000925847908 812086410 /nfs/dbraw/zinc/08/64/10/812086410.db2.gz WNQIOKRWWADYHX-HNNXBMFYSA-N 2 0 293.459 1.455 10 0 CDAERP CC/C=C(/F)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000865064058 812086761 /nfs/dbraw/zinc/08/67/61/812086761.db2.gz LPLUFKGDCYAVOY-SYZQJQIISA-N 2 0 297.418 1.925 10 0 CDAERP C(C[NH2+]C1CC1)C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000923388923 812089270 /nfs/dbraw/zinc/08/92/70/812089270.db2.gz PQHUEONOVFHVHF-HNNXBMFYSA-N 3 0 265.445 1.840 10 0 CDAERP Cc1nc([C@H](C)ONC(=[NH2+])[C@@H]2CN(C(C)C)CCO2)no1 ZINC000842038531 812103024 /nfs/dbraw/zinc/10/30/24/812103024.db2.gz IAHGUBDTFJCXDG-ONGXEEELSA-N 2 0 297.359 1.047 10 0 CDAERP COc1ccc(OCC[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000710041483 812248611 /nfs/dbraw/zinc/24/86/11/812248611.db2.gz NJEVOBGTQNMAFZ-GJZGRUSLSA-N 2 0 276.380 1.934 10 0 CDAERP COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925644611 812321258 /nfs/dbraw/zinc/32/12/58/812321258.db2.gz NWZARGGTCMZXIN-FQUUOJAGSA-N 2 0 295.427 1.713 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](CCOC[C@H]2CCCO2)C1 ZINC000866707057 812341349 /nfs/dbraw/zinc/34/13/49/812341349.db2.gz SFRLRTJPEOUEJK-GDBMZVCRSA-N 2 0 284.444 1.879 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000925720836 812390058 /nfs/dbraw/zinc/39/00/58/812390058.db2.gz VBCWTLNMWMMAQL-ARILJUKYSA-N 2 0 252.402 1.922 10 0 CDAERP CC1(C)CO[C@@H](C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)C1 ZINC000923447051 812456229 /nfs/dbraw/zinc/45/62/29/812456229.db2.gz PHMBZEXWPXXZNQ-UONOGXRCSA-N 2 0 282.428 1.631 10 0 CDAERP Cc1ccc([C@H](O)C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925492119 812612299 /nfs/dbraw/zinc/61/22/99/812612299.db2.gz GWESEWYQZFFYCA-ILXRZTDVSA-N 2 0 260.381 1.888 10 0 CDAERP Cc1c(C[NH2+]CCCC[NH+]2CCOCC2)ccnc1F ZINC000862271580 812686198 /nfs/dbraw/zinc/68/61/98/812686198.db2.gz UOAAOXRHFHXVTL-UHFFFAOYSA-N 2 0 281.375 1.731 10 0 CDAERP CC[C@@H]1CCN(C(=[NH2+])NCCC[N@H+](C)CCOC)C1 ZINC000864453966 812709564 /nfs/dbraw/zinc/70/95/64/812709564.db2.gz FQLRSFNNCRWYRU-CYBMUJFWSA-N 2 0 270.421 1.211 10 0 CDAERP CCc1nccn1[C@H](C)CC(=O)N1CCN(C)[C@H](C)C1 ZINC000843804954 812744420 /nfs/dbraw/zinc/74/44/20/812744420.db2.gz AKLYUWNLFJHZCM-CHWSQXEVSA-N 2 0 278.400 1.559 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCNC(=O)c2ccccc2)C1 ZINC000925570452 812842691 /nfs/dbraw/zinc/84/26/91/812842691.db2.gz AKLJOPLWWVPYLC-LSDHHAIUSA-N 2 0 289.423 1.912 10 0 CDAERP CC1(C)C[C@@H]([NH2+]C[C@H](O)c2ccco2)C[C@@H]([NH3+])C1 ZINC000925607336 812849748 /nfs/dbraw/zinc/84/97/48/812849748.db2.gz VLUKSFDLFRZAAI-WOPDTQHZSA-N 2 0 252.358 1.809 10 0 CDAERP CCOC(=O)[C@@H]1C[C@H]1CN1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000931545871 812859396 /nfs/dbraw/zinc/85/93/96/812859396.db2.gz IDLURXZNEVESAL-XJFOESAGSA-N 2 0 266.385 1.212 10 0 CDAERP C[NH+](C)CCC[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000711483672 812877906 /nfs/dbraw/zinc/87/79/06/812877906.db2.gz HQCMHVGPUZNQFM-UHFFFAOYSA-N 2 0 285.432 1.831 10 0 CDAERP Cc1cc([C@H]([NH3+])CC(=O)N[C@H]2CCC[NH2+]C2)cc(Cl)n1 ZINC000841845962 812881022 /nfs/dbraw/zinc/88/10/22/812881022.db2.gz IKBUWRZSSXECTN-NWDGAFQWSA-N 2 0 296.802 1.302 10 0 CDAERP COC(=O)C1=CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000863543222 812881738 /nfs/dbraw/zinc/88/17/38/812881738.db2.gz XCRLDSZRHIGALS-GBJTYRQASA-N 2 0 278.396 1.759 10 0 CDAERP C[C@H]1CN(C(=[NH2+])NCCN(C)Cc2ccccc2)CCO1 ZINC000848997106 812919854 /nfs/dbraw/zinc/91/98/54/812919854.db2.gz SAHVEKVWKNDGAD-AWEZNQCLSA-N 2 0 290.411 1.363 10 0 CDAERP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C=C1CC[NH2+]CC1 ZINC000852883631 812988554 /nfs/dbraw/zinc/98/85/54/812988554.db2.gz LZMUVZJTZLMSKF-ZDUSSCGKSA-N 2 0 279.428 1.485 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1cc(C2CC2)nn1C ZINC000925873297 813039157 /nfs/dbraw/zinc/03/91/57/813039157.db2.gz IESYJNDYMMFGJY-GFCCVEGCSA-N 2 0 266.389 1.141 10 0 CDAERP C[N@@H+]1C[C@@H]2C[NH+](C[C@H](O)CCc3ccccc3)C[C@]2(C)C1 ZINC000933735249 813054523 /nfs/dbraw/zinc/05/45/23/813054523.db2.gz HCIMNLZQCOAWBZ-KURKYZTESA-N 2 0 288.435 1.864 10 0 CDAERP CCN1CC[C@@H]([N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)C1=O ZINC000866708989 813323637 /nfs/dbraw/zinc/32/36/37/813323637.db2.gz UIHFVOUZCQONGI-IUODEOHRSA-N 2 0 267.417 1.304 10 0 CDAERP C[N@H+](CCOC1CCOCC1)C1CCC([NH3+])CC1 ZINC000701365401 813350418 /nfs/dbraw/zinc/35/04/18/813350418.db2.gz KQUSRZABFHXTMI-UHFFFAOYSA-N 2 0 256.390 1.384 10 0 CDAERP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CCC12CC(C1)C[NH2+]2 ZINC000870893085 813356822 /nfs/dbraw/zinc/35/68/22/813356822.db2.gz PEVQFXZXZWKAQY-REWIBIJMSA-N 2 0 279.428 1.317 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000871153186 813366548 /nfs/dbraw/zinc/36/65/48/813366548.db2.gz AWEZZJBQTFBULA-ZIAGYGMSSA-N 2 0 281.444 1.802 10 0 CDAERP C[C@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)Cn1ccnc1 ZINC000858118382 813390677 /nfs/dbraw/zinc/39/06/77/813390677.db2.gz YJIFATCVFBETBF-KGLIPLIRSA-N 3 0 264.417 1.982 10 0 CDAERP C[C@H]1c2sccc2CC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000711813148 813393562 /nfs/dbraw/zinc/39/35/62/813393562.db2.gz BRGAHWFEWNRACB-LBPRGKRZSA-N 2 0 293.436 1.489 10 0 CDAERP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C(C)(C)CO ZINC000925556516 813503629 /nfs/dbraw/zinc/50/36/29/813503629.db2.gz LMTNCTPOVSXVRU-QEJZJMRPSA-N 2 0 284.444 1.361 10 0 CDAERP C[C@@H]1CN(C(=[NH2+])NCCCC[N@@H+]2CCCC[C@@H]2C)CCO1 ZINC000848989577 813542288 /nfs/dbraw/zinc/54/22/88/813542288.db2.gz XXGGTRDBUTVUKL-LSDHHAIUSA-N 2 0 296.459 1.886 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCOC3(CCCC3)C2)CC1 ZINC000397559567 813543762 /nfs/dbraw/zinc/54/37/62/813543762.db2.gz TYXXFFFHJVENGD-CQSZACIVSA-N 2 0 282.428 1.525 10 0 CDAERP [NH3+]Cc1cccc(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000825547579 813584917 /nfs/dbraw/zinc/58/49/17/813584917.db2.gz NVGYAHBMOKBDKB-JKSUJKDBSA-N 2 0 287.407 1.750 10 0 CDAERP CO[C@@H]1CN(C[C@@H]2CC[C@H](C3CC3)O2)[C@@](C)(C[NH3+])C1 ZINC000715396729 813712245 /nfs/dbraw/zinc/71/22/45/813712245.db2.gz VWEPSDYTDPCOFN-BYNSBNAKSA-N 2 0 268.401 1.382 10 0 CDAERP C[C@H](CNC(=[NH2+])NC1CCCCC1)[N@H+](C)C1CC1 ZINC000221887466 813715810 /nfs/dbraw/zinc/71/58/10/813715810.db2.gz OZGXULWHWHBSQB-LLVKDONJSA-N 2 0 252.406 1.916 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000713066497 813819588 /nfs/dbraw/zinc/81/95/88/813819588.db2.gz GPVGHKYFUKOYGX-UPJWGTAASA-N 2 0 269.433 1.595 10 0 CDAERP [NH3+]Cc1cccc(C(=O)N2CCN3CCCC[C@H]3C2)c1 ZINC000094438458 813854516 /nfs/dbraw/zinc/85/45/16/813854516.db2.gz GTGLPIUVNQIWPV-HNNXBMFYSA-N 2 0 273.380 1.456 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000925803139 813867705 /nfs/dbraw/zinc/86/77/05/813867705.db2.gz MLECVDKKESBLPC-BHTHQVBYSA-N 3 0 259.397 1.966 10 0 CDAERP CN(CC(F)F)C1CCN(C(=O)c2c[nH+]ccc2N)CC1 ZINC000844188436 813871315 /nfs/dbraw/zinc/87/13/15/813871315.db2.gz UTYIAUJBYGQARK-UHFFFAOYSA-N 2 0 298.337 1.296 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)CCC23CC(C2)C[NH2+]3)C[N@@H+]1C1CC1 ZINC000870928357 813878810 /nfs/dbraw/zinc/87/88/10/813878810.db2.gz FDWLYBGTCFIMLQ-ZMDMRTEPSA-N 2 0 277.412 1.260 10 0 CDAERP C[NH+](C)C[C@@H]1CN(C(=O)CC(F)(F)F)C[C@H]1C[NH+](C)C ZINC000870023041 813965165 /nfs/dbraw/zinc/96/51/65/813965165.db2.gz JQSZSUQRWQILTO-GHMZBOCLSA-N 2 0 295.349 1.137 10 0 CDAERP CN1CCC[C@@H]([N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)C1=O ZINC000866705969 813965600 /nfs/dbraw/zinc/96/56/00/813965600.db2.gz DGLKMCYCCOMSQD-IUODEOHRSA-N 2 0 267.417 1.304 10 0 CDAERP C[NH+](C)CC1CC[NH+](C[C@@H](O)CCC2(O)CCC2)CC1 ZINC000929283602 814003815 /nfs/dbraw/zinc/00/38/15/814003815.db2.gz UTXFXCUECPINTH-HNNXBMFYSA-N 2 0 284.444 1.316 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@@H]2CCCNC2=O)C1 ZINC000925686397 814116714 /nfs/dbraw/zinc/11/67/14/814116714.db2.gz SUOPLHPOEYSYKE-QJPTWQEYSA-N 2 0 253.390 1.008 10 0 CDAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CCC[NH2+]C1CC1 ZINC000394382541 814158418 /nfs/dbraw/zinc/15/84/18/814158418.db2.gz RQQGIZPPWGTNMI-CABCVRRESA-N 2 0 251.418 1.687 10 0 CDAERP CN(C(=O)CCC12CC(C1)C[NH2+]2)C1CCC([NH3+])CC1 ZINC000870937579 814190724 /nfs/dbraw/zinc/19/07/24/814190724.db2.gz NFJKFMAMGSLTDU-UHFFFAOYSA-N 2 0 265.401 1.247 10 0 CDAERP C[C@@H]1[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)CO[C@H]1C ZINC000925094318 814245369 /nfs/dbraw/zinc/24/53/69/814245369.db2.gz NJELJKZTUVYBEO-AYDFFVQHSA-N 2 0 282.428 1.500 10 0 CDAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)CC1 ZINC000923495052 814299795 /nfs/dbraw/zinc/29/97/95/814299795.db2.gz SNYXCOOMDDGFCV-DLBZAZTESA-N 3 0 296.503 1.319 10 0 CDAERP c1cnc(NCC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)cn1 ZINC000925556455 814306245 /nfs/dbraw/zinc/30/62/45/814306245.db2.gz LFMNZZRMCQHFFG-HUUCEWRRSA-N 2 0 289.427 1.646 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)C[NH2+]1 ZINC000861602667 814318074 /nfs/dbraw/zinc/31/80/74/814318074.db2.gz MQXZBTMFHLTPQH-ZOBORPQBSA-N 2 0 282.432 1.299 10 0 CDAERP Cc1cc(N2CC[C@H]([NH+]3CCCCC3)C2)nc(N)[nH+]1 ZINC000113427432 814357532 /nfs/dbraw/zinc/35/75/32/814357532.db2.gz NODAQWCNPTUVPD-LBPRGKRZSA-N 2 0 261.373 1.432 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C2(CC(N)=O)CCC2)CC1(C)C ZINC000921970441 814368195 /nfs/dbraw/zinc/36/81/95/814368195.db2.gz RBWPXANJSXVZRZ-NSHDSACASA-N 2 0 253.390 1.247 10 0 CDAERP C1C[C@H]2CO[C@@H](c3noc(C4CC[NH2+]CC4)n3)CN2C1 ZINC000091686255 814474913 /nfs/dbraw/zinc/47/49/13/814474913.db2.gz PNABEZZXZVDXJC-NWDGAFQWSA-N 2 0 278.356 1.072 10 0 CDAERP c1ccc2c(c1)CC[C@]21CC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000872146170 814566990 /nfs/dbraw/zinc/56/69/90/814566990.db2.gz HMBZDCJIBSFGNK-GOSISDBHSA-N 2 0 285.435 1.482 10 0 CDAERP C[C@]12C[N@H+](CCCCCC[NH3+])C[C@@]1(C)CS(=O)(=O)C2 ZINC000872147922 814598848 /nfs/dbraw/zinc/59/88/48/814598848.db2.gz LVENIOAHYLOZSY-OKILXGFUSA-N 2 0 288.457 1.262 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)[C@]23C[NH2+]C[C@H]2CCCC3)C1 ZINC000715372925 814637926 /nfs/dbraw/zinc/63/79/26/814637926.db2.gz XOFKBOUWSUKELR-IIAWOOMASA-N 2 0 279.428 1.224 10 0 CDAERP C[C@@H]1[C@H](NC(=O)NCCCC[NH+](C)C2CC2)CC[N@@H+]1C ZINC000922812035 816769864 /nfs/dbraw/zinc/76/98/64/816769864.db2.gz WHUOCQABEOLHIJ-TZMCWYRMSA-N 2 0 282.432 1.253 10 0 CDAERP CC1(N2CCOCC2)CC[NH+](CCCCCC[NH3+])CC1 ZINC000863554369 816839669 /nfs/dbraw/zinc/83/96/69/816839669.db2.gz XSOUHAMVQLHPDB-UHFFFAOYSA-N 2 0 283.460 1.692 10 0 CDAERP C[NH+](C)CC1CC[NH+](CN2C[C@H]3CCC[C@@H]3C2=O)CC1 ZINC000839998169 816857802 /nfs/dbraw/zinc/85/78/02/816857802.db2.gz HBWLXUGASBYLBU-CABCVRRESA-N 2 0 279.428 1.476 10 0 CDAERP [NH3+]CC12CC(C1)CN2C(=O)CCCC[NH+]1CCCC1 ZINC000852908982 816921175 /nfs/dbraw/zinc/92/11/75/816921175.db2.gz NCJZMJMVYGVTDF-UHFFFAOYSA-N 2 0 265.401 1.202 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000713066491 816923513 /nfs/dbraw/zinc/92/35/13/816923513.db2.gz GPVGHKYFUKOYGX-AGIUHOORSA-N 2 0 269.433 1.595 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCOCC(F)F)C1 ZINC000925648771 817017088 /nfs/dbraw/zinc/01/70/88/817017088.db2.gz FYMAHBVVXXVCKX-UWVGGRQHSA-N 2 0 250.333 1.764 10 0 CDAERP O=C(CCCC[NH+]1CCCC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000844192629 817054699 /nfs/dbraw/zinc/05/46/99/817054699.db2.gz CVKKUBDLPKACNX-HNNXBMFYSA-N 2 0 279.428 1.605 10 0 CDAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cn(C2CC2)cn1 ZINC000865530659 817094242 /nfs/dbraw/zinc/09/42/42/817094242.db2.gz GPHFGVORBWSSSW-CQSZACIVSA-N 2 0 291.443 1.334 10 0 CDAERP FC(F)OCC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000851728074 817124810 /nfs/dbraw/zinc/12/48/10/817124810.db2.gz FPOOCDVXRCFJCA-UHFFFAOYSA-N 2 0 278.343 1.270 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)C[C@@H]1CCCC(C)(C)O1 ZINC000714330985 817285572 /nfs/dbraw/zinc/28/55/72/817285572.db2.gz QRGNJTPMIAAJEL-ZDUSSCGKSA-N 2 0 258.406 1.502 10 0 CDAERP C[C@@H](C[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1)c1nccs1 ZINC000923372381 817296056 /nfs/dbraw/zinc/29/60/56/817296056.db2.gz GQDQSEIXLVJDDZ-RYUDHWBXSA-N 2 0 281.425 1.557 10 0 CDAERP [NH3+]CCCCCCn1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000849136359 817331398 /nfs/dbraw/zinc/33/13/98/817331398.db2.gz FTILXQGNBWIFTC-LBPRGKRZSA-N 2 0 251.378 1.264 10 0 CDAERP C[C@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C[NH+](C)C ZINC000816832907 817339470 /nfs/dbraw/zinc/33/94/70/817339470.db2.gz QJRYIDRLSLDFLL-DOMZBBRYSA-N 2 0 287.423 1.513 10 0 CDAERP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](O)C2(O)CCCC2)C1 ZINC000929751196 817355314 /nfs/dbraw/zinc/35/53/14/817355314.db2.gz YBQGIVCCXFBIRC-LSDHHAIUSA-N 2 0 284.444 1.316 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000925798739 817391392 /nfs/dbraw/zinc/39/13/92/817391392.db2.gz RHJSNFRILPIYKE-QVHKTLOISA-N 2 0 251.418 1.304 10 0 CDAERP CN(CC1CC1)C(=O)CN1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866706792 817713751 /nfs/dbraw/zinc/71/37/51/817713751.db2.gz RIRWGTCIBZCQPZ-INIZCTEOSA-N 2 0 281.444 1.552 10 0 CDAERP CC[C@H](C[C@](C)(O)CC)[NH2+]C[C@@H]1CN2CCC[C@@H]2CO1 ZINC000924966988 817809378 /nfs/dbraw/zinc/80/93/78/817809378.db2.gz VICZIUKWWPEAJF-KLHDSHLOSA-N 2 0 284.444 1.769 10 0 CDAERP CC(=O)[C@](C)(O)CN1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879951002 817813109 /nfs/dbraw/zinc/81/31/09/817813109.db2.gz GRCXCWCYSXDOBS-MRXNPFEDSA-N 2 0 282.428 1.667 10 0 CDAERP C[C@@H](CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)[N@@H+]1CCC[C@H](C)C1 ZINC000870866075 817836914 /nfs/dbraw/zinc/83/69/14/817836914.db2.gz LWCQHLQGVOUPRE-HAFSJTIUSA-N 2 0 279.428 1.350 10 0 CDAERP C(C1CCC2(CC2)CC1)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000923352331 817876813 /nfs/dbraw/zinc/87/68/13/817876813.db2.gz CXWXQJGTFTVKSM-MRXNPFEDSA-N 2 0 277.456 1.936 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)N[C@H]2CCCC[C@@H]2C)C[C@H]1CC[NH3+] ZINC000723886615 817879811 /nfs/dbraw/zinc/87/98/11/817879811.db2.gz MLWCIWHXWWDBQW-YJNKXOJESA-N 2 0 281.444 1.598 10 0 CDAERP O[C@H](CC1CCCC1)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000310962832 817884332 /nfs/dbraw/zinc/88/43/32/817884332.db2.gz DZZGGNZWBMJBRV-HUUCEWRRSA-N 2 0 252.402 1.613 10 0 CDAERP C[NH2+]CCC[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000866717391 817886068 /nfs/dbraw/zinc/88/60/68/817886068.db2.gz DAYNXKIRNMUWBK-UHFFFAOYSA-N 3 0 255.450 1.896 10 0 CDAERP O[C@H](C[NH2+][C@@H]1CCc2nc[nH]c2C1)c1ccc(F)cn1 ZINC000819321369 817891008 /nfs/dbraw/zinc/89/10/08/817891008.db2.gz LKHKLIVILNOGJW-QMTHXVAHSA-N 2 0 276.315 1.124 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@H]1CC[NH2+]C12CCC2 ZINC000925502066 817891814 /nfs/dbraw/zinc/89/18/14/817891814.db2.gz DVKKCWZMCOTGHM-ILXRZTDVSA-N 2 0 265.445 1.981 10 0 CDAERP C[N@@H+]1C[C@@]2(C)CN(C[C@@H]3CC4(CCC4)C(=O)O3)C[C@@]2(C)C1 ZINC000931313872 817896675 /nfs/dbraw/zinc/89/66/75/817896675.db2.gz HPMNNYWEBDAPLY-CWRNSKLLSA-N 2 0 292.423 1.746 10 0 CDAERP CN1C[C@H](CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1=O ZINC000723581746 817966224 /nfs/dbraw/zinc/96/62/24/817966224.db2.gz GPKKMDWDNCLUEI-MCIONIFRSA-N 2 0 265.401 1.071 10 0 CDAERP CNC(=O)c1cccc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923495982 817993208 /nfs/dbraw/zinc/99/32/08/817993208.db2.gz GJIFMUMDGFRFOL-SWLSCSKDSA-N 2 0 275.396 1.463 10 0 CDAERP CC[C@H](C(=O)N(C)CC[NH2+]Cc1csc(C)c1)[NH+](C)C ZINC001317599420 1167460315 /nfs/dbraw/zinc/46/03/15/1167460315.db2.gz VDBSFDBDBGGOQF-CQSZACIVSA-N 2 0 297.468 1.945 10 0 CDAERP CC[C@H](C)C[NH2+]CC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001568699045 1167540402 /nfs/dbraw/zinc/54/04/02/1167540402.db2.gz LIQUQVPCYHTVGK-UONOGXRCSA-N 2 0 281.444 1.613 10 0 CDAERP CCCC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001567140408 1168046727 /nfs/dbraw/zinc/04/67/27/1168046727.db2.gz LIEUICSFRNFXIH-LSDHHAIUSA-N 2 0 281.444 1.566 10 0 CDAERP O=C(CC[NH+]1CCCCC1)N1CCCC[C@@H]1C[NH2+]CCF ZINC001566954412 1168480592 /nfs/dbraw/zinc/48/05/92/1168480592.db2.gz YANUSTFUOKUKCE-OAHLLOKOSA-N 2 0 299.434 1.803 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CC[C@H](CC[NH2+]CCF)C2)CC[N@@H+]1C ZINC001272439021 913104957 /nfs/dbraw/zinc/10/49/57/913104957.db2.gz FZMMDQVBRWNDKH-HZSPNIEDSA-N 2 0 285.407 1.124 10 0 CDAERP CC(C)=CC[N@H+](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001266362626 894571664 /nfs/dbraw/zinc/57/16/64/894571664.db2.gz OEIHFGJTULYICA-UHFFFAOYSA-N 2 0 281.444 1.877 10 0 CDAERP Cc1ncoc1CN(C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001480873719 894856464 /nfs/dbraw/zinc/85/64/64/894856464.db2.gz RWKCXPIMMNMQEX-UHFFFAOYSA-N 2 0 294.399 1.015 10 0 CDAERP [NH3+]CC1CC[NH+](C[C@@H]2CC[C@@H](C(F)(F)F)O2)CC1 ZINC000721445634 895570169 /nfs/dbraw/zinc/57/01/69/895570169.db2.gz PVKBKSXQOXUJRG-QWRGUYRKSA-N 2 0 266.307 1.767 10 0 CDAERP CN(CC[NH2+]CC1CC1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001567510691 1168821176 /nfs/dbraw/zinc/82/11/76/1168821176.db2.gz HBWWUGIBDQBNON-CQSZACIVSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@@H](F)CC[NH2+]CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001266827074 896137869 /nfs/dbraw/zinc/13/78/69/896137869.db2.gz HYQGYXHSGFPPDH-GFCCVEGCSA-N 2 0 273.396 1.124 10 0 CDAERP COC(=O)c1cccc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000723906838 896262897 /nfs/dbraw/zinc/26/28/97/896262897.db2.gz GWASUWDSTAGCHE-IUODEOHRSA-N 2 0 276.380 1.890 10 0 CDAERP CC/C=C/CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)CC ZINC001266904847 896316852 /nfs/dbraw/zinc/31/68/52/896316852.db2.gz QBEPKMVQSYLJGC-BFKJXESTSA-N 2 0 293.455 1.731 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)CC[NH2+]CC1CCC1 ZINC001267004707 896532640 /nfs/dbraw/zinc/53/26/40/896532640.db2.gz IGBCBWFEWBOAIU-UHFFFAOYSA-N 2 0 255.406 1.176 10 0 CDAERP CC[NH2+][C@@H](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001267149649 896923479 /nfs/dbraw/zinc/92/34/79/896923479.db2.gz ZXGOEYPMZXQPAU-KBPBESRZSA-N 2 0 269.433 1.755 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001267272105 897432663 /nfs/dbraw/zinc/43/26/63/897432663.db2.gz IOXHSIZKGQQZOX-ZDUSSCGKSA-N 2 0 267.417 1.461 10 0 CDAERP CCC[NH2+]CCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001567570590 1168866729 /nfs/dbraw/zinc/86/67/29/1168866729.db2.gz ACCMCLVYWDWSMU-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP Cc1csc(C[NH2+]CCN(C)C(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001267354611 897688920 /nfs/dbraw/zinc/68/89/20/897688920.db2.gz SVLSAORMUCPTPF-LBPRGKRZSA-N 2 0 296.440 1.094 10 0 CDAERP C[C@H](O)C[NH2+]CCN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001267394484 897859565 /nfs/dbraw/zinc/85/95/65/897859565.db2.gz IYVGDKJJERDGTL-ZDUSSCGKSA-N 2 0 299.459 1.068 10 0 CDAERP CC[N@@H+]1CC[C@@H](CCNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001267576775 898492179 /nfs/dbraw/zinc/49/21/79/898492179.db2.gz XVKBZIDBKZQSJH-ZIAGYGMSSA-N 2 0 267.417 1.176 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC001481095762 898815480 /nfs/dbraw/zinc/81/54/80/898815480.db2.gz KTRHJYMETRXWTL-ZIAGYGMSSA-N 2 0 287.423 1.513 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001481109005 898872868 /nfs/dbraw/zinc/87/28/68/898872868.db2.gz JICFUDGGSIBOPF-HNNXBMFYSA-N 2 0 283.460 1.812 10 0 CDAERP CC(C)CC[NH2+]CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001481251198 899663576 /nfs/dbraw/zinc/66/35/76/899663576.db2.gz GZCOMDMSJHXRLS-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)[C@H](C(=O)N(C)CC[NH2+]CC[C@@H](C)F)[NH+](C)C ZINC001481277523 899923751 /nfs/dbraw/zinc/92/37/51/899923751.db2.gz RYIFQRBTFNYULY-CHWSQXEVSA-N 2 0 275.412 1.369 10 0 CDAERP O=C1OCC[C@@H]1[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000692874678 900868867 /nfs/dbraw/zinc/86/88/67/900868867.db2.gz WWTMWCBBBLTIOO-OLZOCXBDSA-N 2 0 252.358 1.014 10 0 CDAERP COCCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001268080231 901124326 /nfs/dbraw/zinc/12/43/26/901124326.db2.gz GSWDVVGIBOEQAY-KKUMJFAQSA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC=C(C)C)[NH+](C)C ZINC001268094412 901242509 /nfs/dbraw/zinc/24/25/09/901242509.db2.gz OEQKABCZBJBALQ-KGLIPLIRSA-N 2 0 269.433 1.729 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@H]1C[NH2+]CCF ZINC001268198833 901554713 /nfs/dbraw/zinc/55/47/13/901554713.db2.gz XMOUSHRSVOYNRN-ZIAGYGMSSA-N 2 0 287.423 1.513 10 0 CDAERP CC[C@H](F)C[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268438501 902057054 /nfs/dbraw/zinc/05/70/54/902057054.db2.gz JCHJQKIERMJXFD-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CCC(C)C ZINC001481812830 902165302 /nfs/dbraw/zinc/16/53/02/902165302.db2.gz UQKXBHIAJUKEMZ-HZPDHXFCSA-N 2 0 295.471 1.859 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCCF ZINC001481824324 902173727 /nfs/dbraw/zinc/17/37/27/902173727.db2.gz SQNUIOXMMKURHB-CHWSQXEVSA-N 2 0 273.396 1.315 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+]CC2CCCC2)C1 ZINC001268626622 902836333 /nfs/dbraw/zinc/83/63/33/902836333.db2.gz QGORQQOUBBACLJ-RGDDUWESSA-N 2 0 279.428 1.390 10 0 CDAERP CC/C=C\CC[NH2+]C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001268691359 902973808 /nfs/dbraw/zinc/97/38/08/902973808.db2.gz VOMLGJSBMFUZTI-AFNCTOJWSA-N 2 0 281.444 1.921 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CCF ZINC001268768970 903107683 /nfs/dbraw/zinc/10/76/83/903107683.db2.gz AGTCWXRTJXZOBK-ZIAGYGMSSA-N 2 0 287.423 1.561 10 0 CDAERP CCC[NH+]1CC(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001268859015 903185261 /nfs/dbraw/zinc/18/52/61/903185261.db2.gz VROXFHXDMIEKPP-UHFFFAOYSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001269278056 903643505 /nfs/dbraw/zinc/64/35/05/903643505.db2.gz BOTHLGYVSBCWNB-CQSZACIVSA-N 2 0 279.428 1.485 10 0 CDAERP CC(C)C[NH2+]C[C@](C)(NC(=O)CC[NH+](C)C)C1CC1 ZINC001269634380 903997435 /nfs/dbraw/zinc/99/74/35/903997435.db2.gz NWVOBNMRKCPYIM-HNNXBMFYSA-N 2 0 269.433 1.469 10 0 CDAERP COCCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC001269981534 904248382 /nfs/dbraw/zinc/24/83/82/904248382.db2.gz NKQRLFZDZNYQSO-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001270077722 904329339 /nfs/dbraw/zinc/32/93/39/904329339.db2.gz VIFLCGXKUYLBTI-CHWSQXEVSA-N 2 0 255.406 1.317 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC(C)C ZINC001482370375 905221581 /nfs/dbraw/zinc/22/15/81/905221581.db2.gz VURPWUXOKKITNN-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001270994164 905529987 /nfs/dbraw/zinc/52/99/87/905529987.db2.gz BXSLTHRTNPGREG-OLZOCXBDSA-N 2 0 287.423 1.655 10 0 CDAERP CN(CCC[N@H+](C)CC1CCCC1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001502396995 906316146 /nfs/dbraw/zinc/31/61/46/906316146.db2.gz MQQONYOBPMCBIR-MRXNPFEDSA-N 2 0 295.471 1.909 10 0 CDAERP CC(C)[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1nccs1 ZINC001482555117 907037543 /nfs/dbraw/zinc/03/75/43/907037543.db2.gz PGHIABIXRJUEBN-GFCCVEGCSA-N 2 0 298.456 1.325 10 0 CDAERP CC(C)=CC[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001567928774 1169075159 /nfs/dbraw/zinc/07/51/59/1169075159.db2.gz PBQZUHBSQXUASI-HNNXBMFYSA-N 2 0 281.444 1.826 10 0 CDAERP CC(C)(C[NH3+])C1CC[NH+](C[C@H](O)CC(F)(F)F)CC1 ZINC000714502441 909746627 /nfs/dbraw/zinc/74/66/27/909746627.db2.gz YXLKGSXIDONSFO-LLVKDONJSA-N 2 0 282.350 1.997 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@H]([NH3+])CC2CC2)CC1 ZINC000715180814 909855207 /nfs/dbraw/zinc/85/52/07/909855207.db2.gz NUPBFBYCMIAPRF-CYBMUJFWSA-N 2 0 267.417 1.447 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]CCCF)[NH+](C)C ZINC001483185250 909929659 /nfs/dbraw/zinc/92/96/59/909929659.db2.gz CYMSYCQEIYFRSR-VXGBXAGGSA-N 2 0 261.385 1.027 10 0 CDAERP Cc1cnc(C[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C(C)C)s1 ZINC001483197953 909959402 /nfs/dbraw/zinc/95/94/02/909959402.db2.gz TWMOZPZKLDALGL-LLVKDONJSA-N 2 0 298.456 1.386 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001507090636 910734264 /nfs/dbraw/zinc/73/42/64/910734264.db2.gz RIVKWPMTOSIFET-CHWSQXEVSA-N 2 0 287.423 1.655 10 0 CDAERP C[C@H](O)CCC[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001483485995 911180572 /nfs/dbraw/zinc/18/05/72/911180572.db2.gz QREKOBWVJLLDRN-GJZGRUSLSA-N 2 0 299.459 1.070 10 0 CDAERP CCC/C=C\CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001483791135 915068641 /nfs/dbraw/zinc/06/86/41/915068641.db2.gz QZYFCAHZPCIDLK-IYKSTZQJSA-N 2 0 293.455 1.923 10 0 CDAERP CC[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]CCCOC)C1)[NH+](C)C ZINC001484116322 915438354 /nfs/dbraw/zinc/43/83/54/915438354.db2.gz ZNRXXVPWAQJSDX-HOCLYGCPSA-N 2 0 299.459 1.191 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]CCC[C@H](C)O ZINC001493807311 915823114 /nfs/dbraw/zinc/82/31/14/915823114.db2.gz ZMGAGDMFTCQUBB-LSDHHAIUSA-N 2 0 299.459 1.070 10 0 CDAERP CCCC[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001493571432 916820749 /nfs/dbraw/zinc/82/07/49/916820749.db2.gz VUUFUSWHHLENFG-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCC(C)([NH2+]CCCF)CC2)C1 ZINC001328037722 936391714 /nfs/dbraw/zinc/39/17/14/936391714.db2.gz ANBBXVHMEOFMGN-AWEZNQCLSA-N 2 0 299.434 1.659 10 0 CDAERP [NH3+]CCCCCC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000831683113 936527161 /nfs/dbraw/zinc/52/71/61/936527161.db2.gz OBFCILFGVCTYHZ-CQSZACIVSA-N 2 0 253.390 1.108 10 0 CDAERP C[C@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]C/C=C\Cl ZINC001485891690 920551387 /nfs/dbraw/zinc/55/13/87/920551387.db2.gz IWMBYWRFXKGUNW-YVNFWLBFSA-N 2 0 287.835 1.660 10 0 CDAERP CC[NH2+][C@@H](C)CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001485929691 920597532 /nfs/dbraw/zinc/59/75/32/920597532.db2.gz CGICXIOJLBGNBE-KBPBESRZSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)N(CC[N@H+](C)C(C)C)C(=O)C1CC[NH+](C)CC1 ZINC001486374538 920953869 /nfs/dbraw/zinc/95/38/69/920953869.db2.gz BAFQQVYQXZCGLG-UHFFFAOYSA-N 2 0 283.460 1.905 10 0 CDAERP CCC[NH2+]C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C(C)(C)C ZINC001486402584 920987034 /nfs/dbraw/zinc/98/70/34/920987034.db2.gz HFHPGMLCRXCRMN-OLZOCXBDSA-N 2 0 271.449 1.857 10 0 CDAERP CC[C@@H](C(=O)NCC1=CC[N@H+](CC)CC1)[NH+](C)C ZINC001486515104 921092066 /nfs/dbraw/zinc/09/20/66/921092066.db2.gz BFJZFLSTENRQAY-ZDUSSCGKSA-N 2 0 253.390 1.095 10 0 CDAERP C[C@@H](C[NH2+]CC[C@@H]1CCCO1)N(C)C(=O)C[NH+]1CCCC1 ZINC001568318788 1169243385 /nfs/dbraw/zinc/24/33/85/1169243385.db2.gz GAAKBGSVEXWXPJ-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]CC1CCC1 ZINC001568320339 1169243144 /nfs/dbraw/zinc/24/31/44/1169243144.db2.gz FYKKDULKSGINIL-CYBMUJFWSA-N 2 0 269.433 1.563 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CCC[NH+](CCCF)C2)C1 ZINC001491125605 936862021 /nfs/dbraw/zinc/86/20/21/936862021.db2.gz MLWOYUBCMARVRT-LSDHHAIUSA-N 2 0 299.434 1.516 10 0 CDAERP Cc1ccc(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)cn1 ZINC000923453805 923845084 /nfs/dbraw/zinc/84/50/84/923845084.db2.gz YZTXSDGLNYPWSN-HNNXBMFYSA-N 2 0 275.396 1.720 10 0 CDAERP Fc1ccc(Cl)c(CN2CC[NH2+]CC[NH2+]CC2)c1 ZINC000923462220 923847589 /nfs/dbraw/zinc/84/75/89/923847589.db2.gz FAPKAUBJOBGGRN-UHFFFAOYSA-N 2 0 271.767 1.474 10 0 CDAERP CO[C@@H](C)C[NH2+]C[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001491190094 936871320 /nfs/dbraw/zinc/87/13/20/936871320.db2.gz HRXSCEYSHMSFMQ-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@@H]1C[N@H+](CCCC2CC[NH2+]CC2)CC[C@@H]1C[NH3+] ZINC000923496051 923870655 /nfs/dbraw/zinc/87/06/55/923870655.db2.gz ZDGHJYJUECDTIS-UKRRQHHQSA-N 3 0 253.434 1.683 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001491261592 936886007 /nfs/dbraw/zinc/88/60/07/936886007.db2.gz YGUIAZTYTKLBNI-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1cncs1 ZINC001491506152 936926214 /nfs/dbraw/zinc/92/62/14/936926214.db2.gz PTYDMCZATUPBJI-WCQYABFASA-N 2 0 296.440 1.222 10 0 CDAERP CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]2C1 ZINC001410187948 925365240 /nfs/dbraw/zinc/36/52/40/925365240.db2.gz OTIDYBGQMNVHLR-XHSDSOJGSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@H](CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC1CCC1 ZINC001410427704 925648691 /nfs/dbraw/zinc/64/86/91/925648691.db2.gz AVPCVRSFDOXKQR-UONOGXRCSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](CNC(=O)Cc2cncn2C)C1 ZINC001488789383 926714267 /nfs/dbraw/zinc/71/42/67/926714267.db2.gz GZIRNPYVWXRJJL-RWMBFGLXSA-N 2 0 296.390 1.195 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC2CC2)CC(C)(C)C1 ZINC001489347657 926877489 /nfs/dbraw/zinc/87/74/89/926877489.db2.gz PEESAEMQTYAFAS-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP COC[C@H](C)[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001411225308 927268544 /nfs/dbraw/zinc/26/85/44/927268544.db2.gz QUFOUAGLPINXLU-STQMWFEESA-N 2 0 287.448 1.094 10 0 CDAERP CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)C(C)C ZINC001568470189 1169304710 /nfs/dbraw/zinc/30/47/10/1169304710.db2.gz JIRYUXQGCXDRNZ-UONOGXRCSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)C=C1CC[NH2+]CC1 ZINC000852858783 927897970 /nfs/dbraw/zinc/89/79/70/927897970.db2.gz HBSIQVAKLHNONS-ZDUSSCGKSA-N 2 0 265.401 1.287 10 0 CDAERP COC(=O)N(C)CC[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000697555275 937283278 /nfs/dbraw/zinc/28/32/78/937283278.db2.gz XEBMCOPSHTXAEN-VXGBXAGGSA-N 2 0 257.378 1.005 10 0 CDAERP CC[NH2+]C/C=C\CNC(=O)c1sccc1C[NH+](C)C ZINC001274075881 931160593 /nfs/dbraw/zinc/16/05/93/931160593.db2.gz IYPZLFXNCAJVAC-WAYWQWQTSA-N 2 0 281.425 1.705 10 0 CDAERP O=C(NC/C=C/C[NH2+]CCF)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001274429141 931499652 /nfs/dbraw/zinc/49/96/52/931499652.db2.gz AQDVBMMPOCFRIW-FGPRAXNPSA-N 2 0 283.391 1.235 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001274787589 931578383 /nfs/dbraw/zinc/57/83/83/931578383.db2.gz PCVUIZDRTAZBQU-VXGBXAGGSA-N 2 0 273.396 1.313 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)CC ZINC001275574633 931888765 /nfs/dbraw/zinc/88/87/65/931888765.db2.gz ZTQASMGWUJIEJH-CHWSQXEVSA-N 2 0 255.406 1.317 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)CC[NH+]1CC[C@H](F)C1 ZINC001411786869 932022525 /nfs/dbraw/zinc/02/25/25/932022525.db2.gz MYYIGIATMXYKEE-ZDUSSCGKSA-N 2 0 273.396 1.268 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@H]([NH+](C)C)C2)C1 ZINC001412509153 932461304 /nfs/dbraw/zinc/46/13/04/932461304.db2.gz XNGRZUVACDXRII-CABCVRRESA-N 2 0 281.444 1.659 10 0 CDAERP CC[NH+](CC)C1CCN(C(=O)[C@@H](C)CC[NH+](C)C)CC1 ZINC001412521416 932465827 /nfs/dbraw/zinc/46/58/27/932465827.db2.gz KBYHNYJEHCFLLW-AWEZNQCLSA-N 2 0 283.460 1.907 10 0 CDAERP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC001118256402 937609188 /nfs/dbraw/zinc/60/91/88/937609188.db2.gz SMQMWNJIIWSGGE-YNEHKIRRSA-N 2 0 255.406 1.336 10 0 CDAERP Cc1cccc(C(=O)NCC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925495481 932893386 /nfs/dbraw/zinc/89/33/86/932893386.db2.gz OJENDGRWIOEHBU-LSDHHAIUSA-N 2 0 287.407 1.584 10 0 CDAERP COCC[N@H+](C)CCCN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925542955 932901989 /nfs/dbraw/zinc/90/19/89/932901989.db2.gz JGUSEOBNXIYIJU-QLFBSQMISA-N 2 0 283.460 1.321 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCCO[C@H]2CCOC2)C1 ZINC000925553627 932904279 /nfs/dbraw/zinc/90/42/79/932904279.db2.gz UJIWJBXPJZJYKQ-MCIONIFRSA-N 2 0 270.417 1.678 10 0 CDAERP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925607602 932913469 /nfs/dbraw/zinc/91/34/69/932913469.db2.gz WERMAFHQHIWWDD-HUUCEWRRSA-N 3 0 296.503 1.508 10 0 CDAERP CC1(C)[C@H]([NH2+]CCC2(CO)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925691221 932927544 /nfs/dbraw/zinc/92/75/44/932927544.db2.gz MLDBBUBFQHPRFM-FRRDWIJNSA-N 2 0 252.402 1.515 10 0 CDAERP CC[C@H](COC)[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925809311 932940210 /nfs/dbraw/zinc/94/02/10/932940210.db2.gz QAMLYXKOAQTWEA-QGZVFWFLSA-N 2 0 291.439 1.606 10 0 CDAERP Cn1nc(C(F)(F)F)cc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000925834506 932944161 /nfs/dbraw/zinc/94/41/61/932944161.db2.gz IKEOYHNMSNJOKF-IUCAKERBSA-N 2 0 276.306 1.798 10 0 CDAERP CCCN(C)CC(C)(C)[NH2+]C[C@@H]1C[C@H]1C(=O)OCC ZINC000931068697 933501904 /nfs/dbraw/zinc/50/19/04/933501904.db2.gz LOVMVQNYRBHWKJ-QWHCGFSZSA-N 2 0 270.417 1.896 10 0 CDAERP C(CN1CCC([N@@H+]2CCCOCC2)CC1)OCC1CC1 ZINC001119901378 937763448 /nfs/dbraw/zinc/76/34/48/937763448.db2.gz UASQCGHKWPRTMC-UHFFFAOYSA-N 2 0 282.428 1.600 10 0 CDAERP CCSCC[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720811404 935248863 /nfs/dbraw/zinc/24/88/63/935248863.db2.gz OTJGGURBMBOTIQ-DTWKUNHWSA-N 2 0 256.337 1.809 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001493213509 935865451 /nfs/dbraw/zinc/86/54/51/935865451.db2.gz JSYNOWUQJANXEH-CVEARBPZSA-N 2 0 295.471 1.977 10 0 CDAERP C[C@@H](C(=O)N1CC[N@H+](C2CCCC2)[C@@H](C)C1)[NH+](C)C ZINC001124032194 936271930 /nfs/dbraw/zinc/27/19/30/936271930.db2.gz FPSHSHPPWXSJGD-STQMWFEESA-N 2 0 267.417 1.412 10 0 CDAERP CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)C(C)(C)C1 ZINC001276586309 940384208 /nfs/dbraw/zinc/38/42/08/940384208.db2.gz GTRIJEUJSRYFQJ-CYBMUJFWSA-N 2 0 267.417 1.317 10 0 CDAERP CCN(CC[NH2+]CCCF)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001568744082 1169459009 /nfs/dbraw/zinc/45/90/09/1169459009.db2.gz ZGCUKUPKUODGKD-AWEZNQCLSA-N 2 0 285.407 1.126 10 0 CDAERP CCN1CC[C@H]1C(=O)NC[C@@H](CC(C)C)[NH+](CC)CC ZINC001362044485 970812862 /nfs/dbraw/zinc/81/28/62/970812862.db2.gz YVXDADWADKHXMD-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001276910198 941690398 /nfs/dbraw/zinc/69/03/98/941690398.db2.gz WUIVOCVCAQICQR-CQSZACIVSA-N 2 0 269.433 1.565 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC001362098307 970883175 /nfs/dbraw/zinc/88/31/75/970883175.db2.gz VHPCIBOWYXYTSP-GDBMZVCRSA-N 2 0 293.455 1.804 10 0 CDAERP C[NH+](C)CCCCC(=O)N[C@H]1CCC[N@H+](CCF)CC1 ZINC001280770499 942484872 /nfs/dbraw/zinc/48/48/72/942484872.db2.gz QXTPKRYVOWUEIC-AWEZNQCLSA-N 2 0 287.423 1.659 10 0 CDAERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1[NH2+]CCC1CC1 ZINC001281459066 942579037 /nfs/dbraw/zinc/57/90/37/942579037.db2.gz SITSECPUXDPGRD-GOEBONIOSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)CC[N@@H+]1C ZINC001362126773 970919925 /nfs/dbraw/zinc/91/99/25/970919925.db2.gz PAMSNRVUCSULRN-GBJTYRQASA-N 2 0 281.444 1.706 10 0 CDAERP O=C(CCC[NH+]1CCCC1)NC1CC(C[NH2+]CCF)C1 ZINC001282085163 942657795 /nfs/dbraw/zinc/65/77/95/942657795.db2.gz ZXZCNVASXRSPAV-UHFFFAOYSA-N 2 0 285.407 1.316 10 0 CDAERP CC[N@H+](C)CCOCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001283422647 942895875 /nfs/dbraw/zinc/89/58/75/942895875.db2.gz PUQATRRDUCFYTA-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP C[C@H]1C[C@H]([NH2+]CCC2CC2)CN1C(=O)CC[NH+](C)C ZINC001284001620 943046028 /nfs/dbraw/zinc/04/60/28/943046028.db2.gz CDQVSCPLVMELRY-JSGCOSHPSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]CCCF)CN1C(=O)C1CC[NH+](C)CC1 ZINC001284003972 943046840 /nfs/dbraw/zinc/04/68/40/943046840.db2.gz NGOOIQMQUHLRDQ-GXTWGEPZSA-N 2 0 285.407 1.267 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N(C)C[C@@H]2CCC[NH+](C)C2)CC[N@@H+]1C ZINC001362159306 970959565 /nfs/dbraw/zinc/95/95/65/970959565.db2.gz WLLUPAZPJIFCRX-ZNMIVQPWSA-N 2 0 281.444 1.517 10 0 CDAERP CC[NH+]1CCC([C@@H](C)NC(=O)CC[NH+](C)C)CC1 ZINC001284693893 943244829 /nfs/dbraw/zinc/24/48/29/943244829.db2.gz JBUKXIBFSAHPBB-GFCCVEGCSA-N 2 0 255.406 1.175 10 0 CDAERP CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001263817675 943985060 /nfs/dbraw/zinc/98/50/60/943985060.db2.gz ZQBHDJINNBHAEC-UONOGXRCSA-N 2 0 267.417 1.271 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001277933934 944108272 /nfs/dbraw/zinc/10/82/72/944108272.db2.gz ZSKDNUPSFKCFMG-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP CCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001264731331 944170722 /nfs/dbraw/zinc/17/07/22/944170722.db2.gz KBZREMBGPNYDCK-KFWWJZLASA-N 2 0 281.444 1.707 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)CC1CCC1 ZINC001265127994 944240293 /nfs/dbraw/zinc/24/02/93/944240293.db2.gz MEPOJWZMNPDNKE-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP COCC[NH2+]C1CCC(NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001265743409 944485787 /nfs/dbraw/zinc/48/57/87/944485787.db2.gz OMXQYARCZPTPBW-NRXISQOPSA-N 2 0 299.459 1.236 10 0 CDAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[N@H+](C)CCCF ZINC001265978343 944610791 /nfs/dbraw/zinc/61/07/91/944610791.db2.gz JROVKBDWBGDTKH-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001480635267 971170313 /nfs/dbraw/zinc/17/03/13/971170313.db2.gz CXTMEWUQBWAMBZ-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP CCOCCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001496062615 971194111 /nfs/dbraw/zinc/19/41/11/971194111.db2.gz VIJJNYRADYARKV-RRFJBIMHSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001479264231 971277430 /nfs/dbraw/zinc/27/74/30/971277430.db2.gz JVPRDFXWNNBVKX-CVEARBPZSA-N 2 0 295.471 1.907 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001362472912 971311716 /nfs/dbraw/zinc/31/17/16/971311716.db2.gz WYQTVKUDZOIOPT-QQOZWVEPSA-N 2 0 293.455 1.848 10 0 CDAERP CC(C)C[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001479416735 971322854 /nfs/dbraw/zinc/32/28/54/971322854.db2.gz LWTVDJQVSMEHCG-KLHDSHLOSA-N 2 0 295.471 2.000 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCCOC)[C@@H]1CC)[NH+](C)C ZINC001479646086 971356829 /nfs/dbraw/zinc/35/68/29/971356829.db2.gz ZYFXRLBZONLYMS-ZNMIVQPWSA-N 2 0 299.459 1.332 10 0 CDAERP CCN1CC[C@@H]1C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001362637027 971481007 /nfs/dbraw/zinc/48/10/07/971481007.db2.gz JDXUIUKWXWKZBO-SQWLQELKSA-N 2 0 293.455 1.850 10 0 CDAERP C[NH+]1CCC(C(=O)N[C@H](C[NH2+]CCF)C(C)(C)C)CC1 ZINC001278996347 948540831 /nfs/dbraw/zinc/54/08/31/948540831.db2.gz WHIAXZHOORCQFJ-CYBMUJFWSA-N 2 0 287.423 1.418 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CC12CC[NH+](C/C=C\Cl)CC2 ZINC001479985663 971525425 /nfs/dbraw/zinc/52/54/25/971525425.db2.gz SVSBHTLRRMVHOV-RBWDJNPFSA-N 2 0 299.846 1.661 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001569078045 1169632470 /nfs/dbraw/zinc/63/24/70/1169632470.db2.gz UFHRIIJKMNMWLE-ZDUSSCGKSA-N 2 0 267.417 1.389 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001480619590 971811512 /nfs/dbraw/zinc/81/15/12/971811512.db2.gz GSJCBVKRJDOUBD-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP CCC[NH2+]C[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001480671581 971833549 /nfs/dbraw/zinc/83/35/49/971833549.db2.gz FYUCLQVIYPPEIO-CYBMUJFWSA-N 2 0 255.406 1.176 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CCCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001480829947 971898714 /nfs/dbraw/zinc/89/87/14/971898714.db2.gz HIPFHUGEJVTIIG-HUUCEWRRSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[NH2+]C[C@]1(C)CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001324739607 953553727 /nfs/dbraw/zinc/55/37/27/953553727.db2.gz BOIRSMDLDPQJLW-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001363838898 953893533 /nfs/dbraw/zinc/89/35/33/953893533.db2.gz OBJLOZZLEJQRKB-BZUAXINKSA-N 2 0 293.455 1.565 10 0 CDAERP C[NH+](C)C1(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)CCCC1 ZINC001363989389 954103959 /nfs/dbraw/zinc/10/39/59/954103959.db2.gz FBCZWMMCAJINJD-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)(C(=O)NC[C@@H]1C[NH+]2CCC1CC2)[NH+]1CCCCC1 ZINC001364402660 954565156 /nfs/dbraw/zinc/56/51/56/954565156.db2.gz RMZCTEFGHRIBIW-OAHLLOKOSA-N 2 0 293.455 1.709 10 0 CDAERP CC/C=C/CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001326928075 954622980 /nfs/dbraw/zinc/62/29/80/954622980.db2.gz IFSMSBXYCAVEDR-MBVDDHJVSA-N 2 0 293.455 1.923 10 0 CDAERP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001327004966 954656411 /nfs/dbraw/zinc/65/64/11/954656411.db2.gz OZYCRGYJVQRXRF-CQSZACIVSA-N 3 0 253.434 1.825 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCO[C@@H](C)C2)CC1 ZINC001327755168 955030357 /nfs/dbraw/zinc/03/03/57/955030357.db2.gz MQTQDOSVRAZMPS-DZGCQCFKSA-N 2 0 297.443 1.134 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC2(CC[N@H+](CC3CC3)C2)CC1 ZINC001421658798 955456524 /nfs/dbraw/zinc/45/65/24/955456524.db2.gz OSWBATXKYBHHFH-UHFFFAOYSA-N 2 0 293.455 1.663 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001491858999 955472007 /nfs/dbraw/zinc/47/20/07/955472007.db2.gz NXORAMMZQKQMCI-QWHCGFSZSA-N 2 0 282.363 1.069 10 0 CDAERP CCOCC[NH2+][C@H]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001491897643 955499234 /nfs/dbraw/zinc/49/92/34/955499234.db2.gz YTYQBTPPHJIMKX-GJZGRUSLSA-N 2 0 299.459 1.380 10 0 CDAERP CC[NH2+]C1(CNC(=O)COC2CC[NH+](C)CC2)CCCC1 ZINC001421854726 955601171 /nfs/dbraw/zinc/60/11/71/955601171.db2.gz NGZYKABFPIHLRC-UHFFFAOYSA-N 2 0 297.443 1.136 10 0 CDAERP C[C@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)[NH2+]CCCF ZINC001329111274 955694669 /nfs/dbraw/zinc/69/46/69/955694669.db2.gz RGLYVVCAMCGPRJ-RYUDHWBXSA-N 2 0 273.396 1.171 10 0 CDAERP CC[NH2+][C@@H](C)[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001329155093 955725001 /nfs/dbraw/zinc/72/50/01/955725001.db2.gz ZEAACWFJXYQRBR-STQMWFEESA-N 2 0 269.433 1.610 10 0 CDAERP C[C@H](C(=O)NCC[C@H](C)[NH2+]CCF)[NH+]1CCCCCC1 ZINC001422167202 955808330 /nfs/dbraw/zinc/80/83/30/955808330.db2.gz YKWUJFKKMGMNAG-UONOGXRCSA-N 2 0 287.423 1.705 10 0 CDAERP O[C@@H]1CCCC[C@H]1C[NH+]1CCC(N2CCCOCC2)CC1 ZINC001365320637 955890777 /nfs/dbraw/zinc/89/07/77/955890777.db2.gz UHZVZSXGDZFOGZ-DOTOQJQBSA-N 2 0 296.455 1.724 10 0 CDAERP CC(C)[NH2+][C@H](C)[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001422390896 955978928 /nfs/dbraw/zinc/97/89/28/955978928.db2.gz QHWXFIDRVYKUHO-KGLIPLIRSA-N 2 0 283.460 1.998 10 0 CDAERP Cc1cc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[NH+]2CCCC2)on1 ZINC001422421519 955991027 /nfs/dbraw/zinc/99/10/27/955991027.db2.gz FGXMOHWDFMSCBU-QWHCGFSZSA-N 2 0 294.399 1.062 10 0 CDAERP C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@@H]1CC[NH2+]CCF ZINC001316682846 955998256 /nfs/dbraw/zinc/99/82/56/955998256.db2.gz BVJSXFHFTZYRQI-LSDHHAIUSA-N 2 0 299.434 1.659 10 0 CDAERP CCCN(C(=O)Cn1cncc1C)[C@@H]1CC[N@H+](CCC)C1 ZINC001493965783 972146876 /nfs/dbraw/zinc/14/68/76/972146876.db2.gz ZGCCAZQFCUKTOX-OAHLLOKOSA-N 2 0 292.427 1.914 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1cc(C)ns1)[NH+](C)C ZINC001422505598 956101925 /nfs/dbraw/zinc/10/19/25/956101925.db2.gz GSDMLNYUQWXFFD-DGCLKSJQSA-N 2 0 298.456 1.386 10 0 CDAERP CC(C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001330609933 956512425 /nfs/dbraw/zinc/51/24/25/956512425.db2.gz JBLFMHAHFSXJME-IHRRRGAJSA-N 2 0 269.433 1.465 10 0 CDAERP CC[C@H](F)C[NH2+][C@@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001423102344 956586227 /nfs/dbraw/zinc/58/62/27/956586227.db2.gz HHTFWPQWKQMFEB-JSGCOSHPSA-N 2 0 287.423 1.513 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]1CCC[N@H+](CCCF)C1)[NH+](C)C ZINC001366175893 956623304 /nfs/dbraw/zinc/62/33/04/956623304.db2.gz GMVVMQKBPLNAMT-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cncs1 ZINC001423165656 956641588 /nfs/dbraw/zinc/64/15/88/956641588.db2.gz JDWWVUINQMXOHR-NWDGAFQWSA-N 2 0 296.440 1.031 10 0 CDAERP CC[C@H](C)C[N@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001317490148 956684999 /nfs/dbraw/zinc/68/49/99/956684999.db2.gz NHZOCDNDMRUBCO-KBPBESRZSA-N 2 0 269.433 1.422 10 0 CDAERP Cc1cnc(CNC2(CNC(=O)C[N@@H+](C)C(C)C)CC2)o1 ZINC001423305246 956715763 /nfs/dbraw/zinc/71/57/63/956715763.db2.gz DEELCPRKGXZSCX-UHFFFAOYSA-N 2 0 294.399 1.062 10 0 CDAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC1CC1 ZINC001366324619 956745438 /nfs/dbraw/zinc/74/54/38/956745438.db2.gz BKHJZYYKNGCEDM-ZFWWWQNUSA-N 2 0 281.444 1.754 10 0 CDAERP C[C@H](C(=O)NC[C@H](C)[NH2+]CC1CC1)[NH+]1CCCCCC1 ZINC001366326163 956747735 /nfs/dbraw/zinc/74/77/35/956747735.db2.gz FRENBNITNXFPLE-UONOGXRCSA-N 2 0 281.444 1.755 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC1CCC1 ZINC001366369314 956775300 /nfs/dbraw/zinc/77/53/00/956775300.db2.gz UBOCPDMGIHNRNX-ZFWWWQNUSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001366382615 956783873 /nfs/dbraw/zinc/78/38/73/956783873.db2.gz QWVLXHRRHFXVJI-OLZOCXBDSA-N 2 0 285.407 1.409 10 0 CDAERP Cc1ccc(C)c(C[N@@H+](C)CCNC(=O)CC[NH+](C)C)c1 ZINC001366559488 956966994 /nfs/dbraw/zinc/96/69/94/956966994.db2.gz OXXVBHPPPXAWTI-UHFFFAOYSA-N 2 0 291.439 1.803 10 0 CDAERP C[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)CC1CCCC1 ZINC001366587158 956999114 /nfs/dbraw/zinc/99/91/14/956999114.db2.gz VHPLCOZAMUIKOC-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP CC1CC(C[N@H+](C)CCCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001316815643 957038931 /nfs/dbraw/zinc/03/89/31/957038931.db2.gz RMDGIRQXWKAIFU-YMAMQOFZSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@@H](F)C[N@H+](CC)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001366617092 957042292 /nfs/dbraw/zinc/04/22/92/957042292.db2.gz XFQWLGOOJSYUBW-CABCVRRESA-N 2 0 299.434 1.514 10 0 CDAERP CC[N@H+](C)CCCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001316854721 957075888 /nfs/dbraw/zinc/07/58/88/957075888.db2.gz UPKVHFYVKFPDAA-ZIAGYGMSSA-N 2 0 267.417 1.461 10 0 CDAERP CCCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001331532617 957123853 /nfs/dbraw/zinc/12/38/53/957123853.db2.gz WGOVHSWBIMJLHB-KKUMJFAQSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1([NH2+]CC2CC2)CCC1 ZINC001424209007 957156647 /nfs/dbraw/zinc/15/66/47/957156647.db2.gz AOQTXNWRNYHQDG-ZIAGYGMSSA-N 2 0 293.455 1.898 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001317090566 957263037 /nfs/dbraw/zinc/26/30/37/957263037.db2.gz CRVVGYVYZWAIET-RBSFLKMASA-N 2 0 279.428 1.531 10 0 CDAERP [NH3+]C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1[NH3+])C1CCCC1 ZINC001331889236 957317951 /nfs/dbraw/zinc/31/79/51/957317951.db2.gz NZWKZCCHJPBQQI-AGIUHOORSA-N 2 0 253.390 1.138 10 0 CDAERP CC(C)=CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C ZINC001331919241 957333721 /nfs/dbraw/zinc/33/37/21/957333721.db2.gz OXPFQIPGCOVNFF-LSDHHAIUSA-N 2 0 281.444 1.873 10 0 CDAERP CC(C)=CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H]1C ZINC001331919240 957334762 /nfs/dbraw/zinc/33/47/62/957334762.db2.gz OXPFQIPGCOVNFF-HUUCEWRRSA-N 2 0 281.444 1.873 10 0 CDAERP CCCC[NH2+][C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001317253237 957380998 /nfs/dbraw/zinc/38/09/98/957380998.db2.gz CNPFGSGTPUHAHR-CYBMUJFWSA-N 2 0 269.433 1.755 10 0 CDAERP CCCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001317322756 957423062 /nfs/dbraw/zinc/42/30/62/957423062.db2.gz PWFDSYFFIBLUEF-ZBFHGGJFSA-N 2 0 293.455 1.566 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]C/C=C\Cl)C1 ZINC001317339758 957429425 /nfs/dbraw/zinc/42/94/25/957429425.db2.gz OJAJSVGSUZBFJM-IRBQFCFKSA-N 2 0 287.835 1.519 10 0 CDAERP CC(C)OCC[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001425011462 957443679 /nfs/dbraw/zinc/44/36/79/957443679.db2.gz NJCXLTMWWBOSTC-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP CCCC[N@@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001425304736 957511942 /nfs/dbraw/zinc/51/19/42/957511942.db2.gz KEJSFQIWAKLGQR-AWEZNQCLSA-N 2 0 295.471 1.955 10 0 CDAERP CCCC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001425304744 957512538 /nfs/dbraw/zinc/51/25/38/957512538.db2.gz KEJSFQIWAKLGQR-CQSZACIVSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001425420398 957531611 /nfs/dbraw/zinc/53/16/11/957531611.db2.gz SYGNVCNCBBCHJB-CTYIDZIISA-N 2 0 295.471 1.859 10 0 CDAERP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC001332416946 957555647 /nfs/dbraw/zinc/55/56/47/957555647.db2.gz RDLXYVUKVYSWND-UMSGYPCISA-N 2 0 253.390 1.090 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CCF ZINC001425559623 957568377 /nfs/dbraw/zinc/56/83/77/957568377.db2.gz MWNSGQQPEUNEOV-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP CO[C@@H](C)C[NH2+]CCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001317636693 957614476 /nfs/dbraw/zinc/61/44/76/957614476.db2.gz QCJYRBNZGFCTJB-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)C1CC[NH+](CCC2CC2)CC1 ZINC001426179492 957823423 /nfs/dbraw/zinc/82/34/23/957823423.db2.gz FIPIQTUWRMZZGM-CQSZACIVSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](C[NH2+]CC1CC(F)(F)C1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001367664052 958190687 /nfs/dbraw/zinc/19/06/87/958190687.db2.gz UWKKLIWGOPCHOA-PWSUYJOCSA-N 2 0 289.370 1.220 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCc1ccc(C[NH2+]CCF)cc1 ZINC001319008885 958335564 /nfs/dbraw/zinc/33/55/64/958335564.db2.gz LVUZFAFLYCBTFW-UHFFFAOYSA-N 2 0 295.402 1.702 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C[NH2+]CCC1CC1 ZINC001319207931 958435381 /nfs/dbraw/zinc/43/53/81/958435381.db2.gz JKBYCFRWKOTPDX-UKRRQHHQSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]CCF ZINC001495001328 972371822 /nfs/dbraw/zinc/37/18/22/972371822.db2.gz STYSRHVAQOVUKM-QWHCGFSZSA-N 2 0 273.396 1.315 10 0 CDAERP CC(C)(C(=O)N[C@H]1CCC[C@@H]1C[NH2+]CCF)[NH+]1CCCC1 ZINC001320155143 958975644 /nfs/dbraw/zinc/97/56/44/958975644.db2.gz QGASYJOLKSGUCL-KGLIPLIRSA-N 2 0 299.434 1.705 10 0 CDAERP CC[C@H](C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@H]1C)OC ZINC001368794301 959132732 /nfs/dbraw/zinc/13/27/32/959132732.db2.gz NYUCALGQCUNMDA-KFWWJZLASA-N 2 0 299.459 1.332 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]CC1CC1 ZINC001320441329 959177443 /nfs/dbraw/zinc/17/74/43/959177443.db2.gz ZIQYHOTTYMLIAM-UKRRQHHQSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]Cc1ccsc1 ZINC001368909430 959243229 /nfs/dbraw/zinc/24/32/29/959243229.db2.gz JOWWSLCYZJAEGF-STQMWFEESA-N 2 0 295.452 1.827 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCC(F)(F)F ZINC001371237415 972428072 /nfs/dbraw/zinc/42/80/72/972428072.db2.gz MDMKKDZKTAVZJR-QWRGUYRKSA-N 2 0 295.349 1.517 10 0 CDAERP CC[C@H](C(=O)NC/C=C/C[NH2+]Cc1cncs1)[NH+](C)C ZINC001321113189 959602219 /nfs/dbraw/zinc/60/22/19/959602219.db2.gz WPLKMXRSZFZIMK-URWSZGRFSA-N 2 0 296.440 1.245 10 0 CDAERP O=C(NC/C=C\C[NH2+]C/C=C/Cl)C12CCC[NH+]1CCC2 ZINC001321141071 959615921 /nfs/dbraw/zinc/61/59/21/959615921.db2.gz KGCLCQBKJLIWBO-GUSUVPGTSA-N 2 0 297.830 1.629 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N(C)C1CC([NH2+]CCF)C1 ZINC001369578840 959773604 /nfs/dbraw/zinc/77/36/04/959773604.db2.gz KLUNAGXWZSWFEH-BPCQOVAHSA-N 2 0 291.386 1.215 10 0 CDAERP CC[N@H+](C)[C@@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001370046764 959969791 /nfs/dbraw/zinc/96/97/91/959969791.db2.gz LUPAXSJJGUBOEY-JALIKCBVSA-N 2 0 294.443 1.347 10 0 CDAERP CC[C@@H](C)C[NH+]1CCC2(C[C@@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001370083235 959984504 /nfs/dbraw/zinc/98/45/04/959984504.db2.gz BTFZFMMMVGVWPP-CABCVRRESA-N 2 0 295.471 1.955 10 0 CDAERP Cc1ncsc1CC[NH2+][C@H](C)CNC(=O)CC[NH+](C)C ZINC001371345315 972482630 /nfs/dbraw/zinc/48/26/30/972482630.db2.gz JDXIZOOXQICPQR-LLVKDONJSA-N 2 0 298.456 1.040 10 0 CDAERP CC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1cncc(F)c1)[NH+](C)C ZINC001371416532 972509877 /nfs/dbraw/zinc/50/98/77/972509877.db2.gz IFDMKAIIRMNBOE-RISCZKNCSA-N 2 0 296.390 1.155 10 0 CDAERP CC(C)(C(=O)NC[C@H]1CCC[N@@H+]1CCCF)[NH+]1CCCC1 ZINC001418616839 960799614 /nfs/dbraw/zinc/79/96/14/960799614.db2.gz HVQVFCHGYFAXPC-CQSZACIVSA-N 2 0 299.434 1.801 10 0 CDAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001418619144 960811105 /nfs/dbraw/zinc/81/11/05/960811105.db2.gz KNSUMLJFNZPJGC-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CCCF ZINC001418802919 961038951 /nfs/dbraw/zinc/03/89/51/961038951.db2.gz KJDYNVDNYSDZQH-OLZOCXBDSA-N 2 0 285.407 1.267 10 0 CDAERP C[NH+](C)CCC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@@H+]1CCF ZINC001419624073 961877781 /nfs/dbraw/zinc/87/77/81/961877781.db2.gz IUTIXTDDAVJVHU-GJZGRUSLSA-N 2 0 299.434 1.753 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC1CC2(CCC2)C1 ZINC001419715449 962019547 /nfs/dbraw/zinc/01/95/47/962019547.db2.gz UKIATYNLMQDYIZ-HIFRSBDPSA-N 2 0 293.455 1.755 10 0 CDAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C12CCC[NH+]1CCC2 ZINC001435020905 962029792 /nfs/dbraw/zinc/02/97/92/962029792.db2.gz HMDHYFVPXZVXRA-UHFFFAOYSA-N 2 0 297.362 1.834 10 0 CDAERP C[C@H](F)CC[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001420050213 962421163 /nfs/dbraw/zinc/42/11/63/962421163.db2.gz MVQLBGWWBCNAGZ-LSDHHAIUSA-N 2 0 299.434 1.753 10 0 CDAERP CC(C)[NH2+][C@@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001436834031 962448446 /nfs/dbraw/zinc/44/84/46/962448446.db2.gz POQLVHKAZCHIDR-HOTGVXAUSA-N 2 0 295.471 2.000 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H]1CCC[NH+](C(C)C)C1 ZINC001437059065 962581701 /nfs/dbraw/zinc/58/17/01/962581701.db2.gz MLQMRYZBIWUVMG-CABCVRRESA-N 2 0 283.460 1.952 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)Cc1ccsc1 ZINC001420347751 962773397 /nfs/dbraw/zinc/77/33/97/962773397.db2.gz RSRVHDUIRFOGIB-ZDUSSCGKSA-N 2 0 281.425 1.248 10 0 CDAERP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccsc1 ZINC001437424712 962877490 /nfs/dbraw/zinc/87/74/90/962877490.db2.gz WVRDDGACWXYYOV-TZMCWYRMSA-N 2 0 295.452 1.684 10 0 CDAERP C[C@@H](C[NH2+]CC1CCCC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001420446822 962915340 /nfs/dbraw/zinc/91/53/40/962915340.db2.gz YEYMVMFYCAPSLP-AWEZNQCLSA-N 2 0 293.455 1.899 10 0 CDAERP CC[C@@H](C(=O)NCC[N@H+](C)CC1CC2(CCC2)C1)[NH+](C)C ZINC001437515629 962981932 /nfs/dbraw/zinc/98/19/32/962981932.db2.gz BOCGXZCBJASJSP-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001420775981 963232670 /nfs/dbraw/zinc/23/26/70/963232670.db2.gz YYRXYROPJNNZSP-ZFWWWQNUSA-N 2 0 281.444 1.755 10 0 CDAERP CCCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](CCC)C1 ZINC001437915983 963235403 /nfs/dbraw/zinc/23/54/03/963235403.db2.gz YRBOLJAVARUFFZ-OAHLLOKOSA-N 2 0 293.455 1.805 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001420790055 963245457 /nfs/dbraw/zinc/24/54/57/963245457.db2.gz SHNREIBCFJUFNF-KBPBESRZSA-N 2 0 285.407 1.315 10 0 CDAERP CC(C)CC[NH2+]C1(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001420998740 963408581 /nfs/dbraw/zinc/40/85/81/963408581.db2.gz MGYOCTVCWSBRNB-INIZCTEOSA-N 2 0 293.455 1.757 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@]1(C)CC[NH+](CC[C@H](C)F)C1 ZINC001421217329 963503382 /nfs/dbraw/zinc/50/33/82/963503382.db2.gz GETVPHYSIYSDKR-ZFWWWQNUSA-N 2 0 287.423 1.657 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001438688572 963527559 /nfs/dbraw/zinc/52/75/59/963527559.db2.gz JBLIYCPEIJSZDY-TZMCWYRMSA-N 2 0 287.423 1.513 10 0 CDAERP CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C(C)C ZINC001438832416 963564390 /nfs/dbraw/zinc/56/43/90/963564390.db2.gz UCKURFLSMSUKMJ-LSDHHAIUSA-N 2 0 283.460 2.000 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]C[C@H](F)CC ZINC001439791462 963862726 /nfs/dbraw/zinc/86/27/26/963862726.db2.gz VRWFCOBXKRXJLI-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP C[NH+](C)CCCC(=O)NC1CC(C[NH2+]Cc2ccon2)C1 ZINC001440755269 964161142 /nfs/dbraw/zinc/16/11/42/964161142.db2.gz CEFHWADUPLOEAT-UHFFFAOYSA-N 2 0 294.399 1.001 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@@H]1[C@H]2C[NH+](CC3CC3)C[C@H]21 ZINC001441300489 964454239 /nfs/dbraw/zinc/45/42/39/964454239.db2.gz SKOYQEOVBBINPS-QKDCVEJESA-N 2 0 279.428 1.032 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001441413708 964502292 /nfs/dbraw/zinc/50/22/92/964502292.db2.gz FVXXCZAYYWVHEP-MGPQQGTHSA-N 2 0 279.428 1.365 10 0 CDAERP CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001441666675 964643840 /nfs/dbraw/zinc/64/38/40/964643840.db2.gz BRUXBJWJBQHJCX-LSDHHAIUSA-N 2 0 281.444 1.804 10 0 CDAERP Cc1ccncc1C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001441789795 964713004 /nfs/dbraw/zinc/71/30/04/964713004.db2.gz QKTVPFQKOXHUOJ-HIFRSBDPSA-N 2 0 290.411 1.079 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]C/C=C/Cl ZINC001441816770 964731788 /nfs/dbraw/zinc/73/17/88/964731788.db2.gz FETSOSSXEMMVLL-YUBFOPJASA-N 2 0 273.808 1.173 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]CC2CC(C)C2)C1 ZINC001442157829 964892385 /nfs/dbraw/zinc/89/23/85/964892385.db2.gz VJBCZQWACADPHJ-HWOWSKLDSA-N 2 0 295.471 1.811 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001442484767 965084796 /nfs/dbraw/zinc/08/47/96/965084796.db2.gz AEZXEVQYFPQNCD-ILXRZTDVSA-N 2 0 283.460 1.811 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001443850403 965632335 /nfs/dbraw/zinc/63/23/35/965632335.db2.gz DLPLUXISOCBWOS-HUUCEWRRSA-N 2 0 283.460 1.907 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H](CC)CNC(=O)C12CC[NH+](CC1)C2 ZINC001444028175 965714531 /nfs/dbraw/zinc/71/45/31/965714531.db2.gz GEBJFRYPNMQFPI-ZIAGYGMSSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCC(F)(F)F ZINC001444038030 965719639 /nfs/dbraw/zinc/71/96/39/965719639.db2.gz LKYZVWNNIVAIIQ-MNOVXSKESA-N 2 0 295.349 1.375 10 0 CDAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)CC[NH+]1CC[C@H](F)C1 ZINC001444272386 965770203 /nfs/dbraw/zinc/77/02/03/965770203.db2.gz YZBIXDXGHCMCKD-KBPBESRZSA-N 2 0 285.407 1.221 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC001444513104 965858659 /nfs/dbraw/zinc/85/86/59/965858659.db2.gz WHCZFRAMBPTWII-MCIONIFRSA-N 2 0 269.433 1.515 10 0 CDAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC1CC1 ZINC001445443760 966197029 /nfs/dbraw/zinc/19/70/29/966197029.db2.gz HGMKIAZCJFABDJ-HIFRSBDPSA-N 2 0 281.444 1.754 10 0 CDAERP [NH3+][C@@H](C(=O)N1CCC2(CC[NH2+]2)CC1)C1CCCCC1 ZINC001349398193 966335210 /nfs/dbraw/zinc/33/52/10/966335210.db2.gz GDBNBVVSNQTUMS-CYBMUJFWSA-N 2 0 265.401 1.249 10 0 CDAERP CC1CC(C[N@@H+]2CC[C@](C)(NC(=O)CC[NH+](C)C)C2)C1 ZINC001446568054 966586357 /nfs/dbraw/zinc/58/63/57/966586357.db2.gz YDBGLCMTWSPIGN-XUJLQICISA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H](NC(=O)C12CCC[NH+]1CCC2)[C@@H](C)[NH2+]CCF ZINC001447872200 966909321 /nfs/dbraw/zinc/90/93/21/966909321.db2.gz FGKSCQUNFBUVDS-VXGBXAGGSA-N 2 0 271.380 1.067 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cnoc1C ZINC001447908341 966925212 /nfs/dbraw/zinc/92/52/12/966925212.db2.gz AKGXFYAXMXGAGP-RYUDHWBXSA-N 2 0 296.415 1.308 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001480196810 967167380 /nfs/dbraw/zinc/16/73/80/967167380.db2.gz MVVUWKKDLWGBMP-HZSPNIEDSA-N 2 0 267.417 1.508 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC[N@H+](C)C2CC2)C1 ZINC001544050779 967332683 /nfs/dbraw/zinc/33/26/83/967332683.db2.gz NCJDOHKYPBNZMP-JSGCOSHPSA-N 2 0 267.417 1.317 10 0 CDAERP CC(C)C[N@H+](C)CCN(C(=O)Cc1cnc[nH]1)C(C)C ZINC001449264827 967405974 /nfs/dbraw/zinc/40/59/74/967405974.db2.gz FRNZNFNFLXLWOP-UHFFFAOYSA-N 2 0 280.416 1.777 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]CC2CC2)C(C)(C)C)C1 ZINC001449325572 967434142 /nfs/dbraw/zinc/43/41/42/967434142.db2.gz NZORKTSHCYNIKT-KGLIPLIRSA-N 2 0 281.444 1.469 10 0 CDAERP CC[NH2+]Cc1ccc(CNC(=O)C[N@H+](C)C(C)C)c(F)c1 ZINC001449412705 967456058 /nfs/dbraw/zinc/45/60/58/967456058.db2.gz CRHVKDWNTUHPRM-UHFFFAOYSA-N 2 0 295.402 1.892 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[C@@H]2C[NH+](C)C[C@H]12 ZINC001458051125 969254910 /nfs/dbraw/zinc/25/49/10/969254910.db2.gz XOSBGIKOQZUVOT-LXTVHRRPSA-N 2 0 279.428 1.317 10 0 CDAERP CC[C@H](C)NC(=[NH2+])NCCCC[NH+]1CCOCC1 ZINC000848989190 969383321 /nfs/dbraw/zinc/38/33/21/969383321.db2.gz DLXKTKHCBILESJ-LBPRGKRZSA-N 2 0 256.394 1.011 10 0 CDAERP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)CC[NH+]1CC[C@H](F)C1 ZINC001465464293 969876419 /nfs/dbraw/zinc/87/64/19/969876419.db2.gz RIQDYAGVVRXDHU-LSDHHAIUSA-N 2 0 299.434 1.753 10 0 CDAERP c1cn(C[C@@H]([NH2+]CC2=NOCC2)c2ccccc2)cn1 ZINC001414037801 969884187 /nfs/dbraw/zinc/88/41/87/969884187.db2.gz ODPFOFRJBQYVOX-OAHLLOKOSA-N 2 0 270.336 1.990 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)NCC2=CC[NH+](C)CC2)C1 ZINC001546154825 969929438 /nfs/dbraw/zinc/92/94/38/969929438.db2.gz OZZRMZYLHRJASN-HNNXBMFYSA-N 2 0 279.428 1.485 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)CC[NH+](C)C)C1 ZINC001361966305 970722223 /nfs/dbraw/zinc/72/22/23/970722223.db2.gz CIOYBQDKQCDOFB-LSDHHAIUSA-N 2 0 283.460 1.765 10 0 CDAERP CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]C/C=C\Cl)[NH+](C)C ZINC001495742038 972618055 /nfs/dbraw/zinc/61/80/55/972618055.db2.gz NWEFLMIUVYCESW-MVSYMCDOSA-N 2 0 275.824 1.421 10 0 CDAERP C[N@H+](CCNC(=O)C12CCC[NH+](CCC1)C2)CC1CC1 ZINC001372010806 972746559 /nfs/dbraw/zinc/74/65/59/972746559.db2.gz ZRFVHTRSYOELNS-UHFFFAOYSA-N 2 0 279.428 1.320 10 0 CDAERP CC(C)[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001496055099 972778321 /nfs/dbraw/zinc/77/83/21/972778321.db2.gz KVCCHSJKHNBPRL-KBPBESRZSA-N 2 0 269.433 1.704 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)CC(C)C ZINC001372326156 972916604 /nfs/dbraw/zinc/91/66/04/972916604.db2.gz ONAMGSNJEIAFFO-HNNXBMFYSA-N 2 0 281.444 1.422 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@H]1CCC[N@@H+]1CC1CC1 ZINC001372511986 972991077 /nfs/dbraw/zinc/99/10/77/972991077.db2.gz QRJPSUSCYXGXPD-HUUCEWRRSA-N 2 0 299.434 1.657 10 0 CDAERP C[C@@H](CC[NH2+]CC1CC1)NC(=O)C1CC[NH+](C)CC1 ZINC001497264378 973267086 /nfs/dbraw/zinc/26/70/86/973267086.db2.gz RDXZVUPUNVVQHX-LBPRGKRZSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001497546254 973400416 /nfs/dbraw/zinc/40/04/16/973400416.db2.gz CYYWLSUETIXJHO-RGDDUWESSA-N 2 0 281.444 1.779 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[N@@H+]1CC ZINC001417826249 973403679 /nfs/dbraw/zinc/40/36/79/973403679.db2.gz AIPXVNRZOAILQM-LSDHHAIUSA-N 2 0 281.444 1.851 10 0 CDAERP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CCCF)C1)[NH+](CC)CC ZINC001373641420 973541317 /nfs/dbraw/zinc/54/13/17/973541317.db2.gz SAPTXXKLNKWLHD-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C)C[NH2+]C[C@H]1CC(C)(C)CO1)[NH+](C)C ZINC001497911832 973575290 /nfs/dbraw/zinc/57/52/90/973575290.db2.gz CBLCMDOINKZWHR-MCIONIFRSA-N 2 0 299.459 1.236 10 0 CDAERP C[C@H]1CC[C@H](C[NH2+][C@H]2C[C@@H](NC(=O)CCC[NH+](C)C)C2)O1 ZINC001418101312 973586534 /nfs/dbraw/zinc/58/65/34/973586534.db2.gz DKHQVXHIXSSOSW-BYNSBNAKSA-N 2 0 297.443 1.133 10 0 CDAERP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccccc1 ZINC001373826624 973657393 /nfs/dbraw/zinc/65/73/93/973657393.db2.gz UPUWXWJBBMSXHJ-MRXNPFEDSA-N 2 0 289.423 1.767 10 0 CDAERP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC1CCCCC1 ZINC001418320708 973746564 /nfs/dbraw/zinc/74/65/64/973746564.db2.gz VRHDQPFFSYCAEE-CQSZACIVSA-N 2 0 281.444 1.757 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+]C/C(Cl)=C\Cl ZINC001374080493 973766702 /nfs/dbraw/zinc/76/67/02/973766702.db2.gz XWNUJDHHEDNESU-VUUNSECVSA-N 2 0 296.242 1.599 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+]CC1CCCC1 ZINC001374113427 973781618 /nfs/dbraw/zinc/78/16/18/973781618.db2.gz YEQZQNAUJSZCHI-CQSZACIVSA-N 2 0 283.460 1.859 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@H](C[NH2+]CCC2CC2)C2CC2)C1 ZINC001498848742 974076736 /nfs/dbraw/zinc/07/67/36/974076736.db2.gz FYBOLCHFHVCFCJ-GOEBONIOSA-N 2 0 293.455 1.613 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCCOC ZINC001498992681 974152490 /nfs/dbraw/zinc/15/24/90/974152490.db2.gz RGYZMBBSAUFQIN-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001499420404 974251855 /nfs/dbraw/zinc/25/18/55/974251855.db2.gz DFPGONYMKSWFOR-QWHCGFSZSA-N 2 0 285.407 1.315 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CCCC1)C1CC1 ZINC001375216007 974294571 /nfs/dbraw/zinc/29/45/71/974294571.db2.gz NKBWYPHOJNYDEM-CVEARBPZSA-N 2 0 293.455 1.755 10 0 CDAERP C[NH+](C)C1(C(=O)N2CCC[C@@H]2C[NH2+]CCCF)CCC1 ZINC001499901514 974328450 /nfs/dbraw/zinc/32/84/50/974328450.db2.gz UHSUKDROVRELEW-CYBMUJFWSA-N 2 0 285.407 1.411 10 0 CDAERP CCC(CC)C[N@@H+]1CC[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001375342238 974346937 /nfs/dbraw/zinc/34/69/37/974346937.db2.gz BHNKZGRLVYWHKX-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001376287966 974622861 /nfs/dbraw/zinc/62/28/61/974622861.db2.gz ALEIRKKUUNHBDN-CVEARBPZSA-N 2 0 295.471 1.909 10 0 CDAERP CCOCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001502142382 974704221 /nfs/dbraw/zinc/70/42/21/974704221.db2.gz GEQMASNHGFFSCH-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N(C)CCC[NH+](C)CCF)CC[N@@H+]1C ZINC001502367436 974725561 /nfs/dbraw/zinc/72/55/61/974725561.db2.gz HSGBHKYIZLBMOD-KBPBESRZSA-N 2 0 287.423 1.467 10 0 CDAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1cncs1 ZINC001376796945 974773354 /nfs/dbraw/zinc/77/33/54/974773354.db2.gz CSHVERNXOJAVIW-VXGBXAGGSA-N 2 0 296.440 1.079 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CC2(CCC2)C1 ZINC001376883936 974802721 /nfs/dbraw/zinc/80/27/21/974802721.db2.gz OYFOUWFDBFGPJA-DZGCQCFKSA-N 2 0 293.455 1.613 10 0 CDAERP C[N@H+](CCNC(=O)CC[C@@H]1CCC[NH+]1C)CC1CCC1 ZINC001377174098 974913254 /nfs/dbraw/zinc/91/32/54/974913254.db2.gz RSLYXTMPFAXXIJ-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@@H](F)CN(CCNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001377520677 975062020 /nfs/dbraw/zinc/06/20/20/975062020.db2.gz VHPHBRVVFFGHEX-TZMCWYRMSA-N 2 0 285.407 1.409 10 0 CDAERP CCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H]1CC[N@H+](CCOC)C1 ZINC001377665024 975105095 /nfs/dbraw/zinc/10/50/95/975105095.db2.gz TYIKGFWPULVFCO-LSDHHAIUSA-N 2 0 299.459 1.286 10 0 CDAERP CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001507095019 975333152 /nfs/dbraw/zinc/33/31/52/975333152.db2.gz ITXWXGMAVYJWPW-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](CC2CC2)C1 ZINC001404442792 975392581 /nfs/dbraw/zinc/39/25/81/975392581.db2.gz CHSHESAPFUUBPW-HNNXBMFYSA-N 2 0 281.444 1.661 10 0 CDAERP CC[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CCCC1 ZINC001378699333 975447402 /nfs/dbraw/zinc/44/74/02/975447402.db2.gz WNCLYZFTUUPZAV-AWEZNQCLSA-N 2 0 279.428 1.367 10 0 CDAERP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C ZINC001507442436 975471985 /nfs/dbraw/zinc/47/19/85/975471985.db2.gz HLOJLVAMYWJSAK-ZIAGYGMSSA-N 2 0 299.459 1.190 10 0 CDAERP CCC[NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001397137733 975475362 /nfs/dbraw/zinc/47/53/62/975475362.db2.gz WGNFQCIGRBSTOQ-HDJSIYSDSA-N 2 0 281.444 1.755 10 0 CDAERP COC[C@@H](C)[NH2+][C@@H]1CCCCCN(C(=O)CC[NH+](C)C)C1 ZINC001397224497 975503687 /nfs/dbraw/zinc/50/36/87/975503687.db2.gz IUQGWZAZPFMFLI-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP Cc1nocc1C[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001378855761 975518292 /nfs/dbraw/zinc/51/82/92/975518292.db2.gz TUWWCAQHCPWLLV-GFCCVEGCSA-N 2 0 294.399 1.015 10 0 CDAERP CC[C@@H](F)C[N@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001378893479 975532187 /nfs/dbraw/zinc/53/21/87/975532187.db2.gz DYOZDTWTYQYHNM-UKRRQHHQSA-N 2 0 299.434 1.752 10 0 CDAERP CN(C[C@H]1CC[N@@H+]1CC1CC1)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001388653758 975537038 /nfs/dbraw/zinc/53/70/38/975537038.db2.gz RRXPUOSMEDMALF-LSDHHAIUSA-N 2 0 279.428 1.271 10 0 CDAERP CC(C)=CC[NH2+]C1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001508139592 975619926 /nfs/dbraw/zinc/61/99/26/975619926.db2.gz AOKZFEFTWNVFNC-UHFFFAOYSA-N 2 0 291.439 1.627 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1CC1CC(C)C1 ZINC001397572596 975635947 /nfs/dbraw/zinc/63/59/47/975635947.db2.gz JCKCKOUMNBDFRC-UYSNPLJNSA-N 2 0 295.471 1.905 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cncs2)C1 ZINC001397619359 975657506 /nfs/dbraw/zinc/65/75/06/975657506.db2.gz FPBRSBLXDPZEMF-TXEJJXNPSA-N 2 0 296.440 1.079 10 0 CDAERP CCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](CC2CC(C)C2)C1 ZINC001405178963 975659061 /nfs/dbraw/zinc/65/90/61/975659061.db2.gz PHDWLJWETVMXNB-UYSNPLJNSA-N 2 0 295.471 1.907 10 0 CDAERP C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]CCC1CC1 ZINC001379272687 975738809 /nfs/dbraw/zinc/73/88/09/975738809.db2.gz GQPFPXJSAQPFMK-CYBMUJFWSA-N 2 0 279.428 1.319 10 0 CDAERP CC(C)[NH2+]CC[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001405474762 975754554 /nfs/dbraw/zinc/75/45/54/975754554.db2.gz DBTWVOXLSUNZOJ-OAHLLOKOSA-N 2 0 293.455 1.709 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC1CC(C)(C)C1 ZINC001379320127 975762593 /nfs/dbraw/zinc/76/25/93/975762593.db2.gz FVMZBRGKYQSGOG-ZFWWWQNUSA-N 2 0 295.471 1.811 10 0 CDAERP Cc1ncc(C[NH2+]C[C@@H](C)CNC(=O)CC[NH+](C)C)s1 ZINC001405701208 975820615 /nfs/dbraw/zinc/82/06/15/975820615.db2.gz OZJSIXSMQYGEPA-LLVKDONJSA-N 2 0 298.456 1.245 10 0 CDAERP CC[NH2+]C[C@H](C)NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001401722434 975832299 /nfs/dbraw/zinc/83/22/99/975832299.db2.gz YQIOWGCOGKUEDX-DZGCQCFKSA-N 2 0 277.412 1.794 10 0 CDAERP CC(C)OCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCCN2C)C1 ZINC001389477937 975853869 /nfs/dbraw/zinc/85/38/69/975853869.db2.gz AWHOZRYRQHCLEI-CABCVRRESA-N 2 0 297.443 1.086 10 0 CDAERP C[C@H](C[N@H+](C)CC1CC(C)C1)NC(=O)C12CC[NH+](CC1)C2 ZINC001401810080 975927695 /nfs/dbraw/zinc/92/76/95/975927695.db2.gz YHUVUZYAIWSUDQ-SHARSMKWSA-N 2 0 293.455 1.565 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@@]12CCC[C@@H]1[N@H+](CCF)CC2 ZINC001379634907 975973551 /nfs/dbraw/zinc/97/35/51/975973551.db2.gz RHBCWDCNTLWJPC-DZGCQCFKSA-N 2 0 285.407 1.411 10 0 CDAERP CC(C)CC[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001401977980 976055176 /nfs/dbraw/zinc/05/51/76/976055176.db2.gz JUOUKHJWGNCGET-CQSZACIVSA-N 2 0 281.444 1.613 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCC[NH+](CCF)C2)C1 ZINC001390067294 976111331 /nfs/dbraw/zinc/11/13/31/976111331.db2.gz UGODPHHGZPANFG-KBPBESRZSA-N 2 0 285.407 1.126 10 0 CDAERP C[C@H](C[NH2+]Cc1cc(F)cc(F)c1)NC(=O)CC[NH+](C)C ZINC001406408558 976170677 /nfs/dbraw/zinc/17/06/77/976170677.db2.gz TTYUOJOEVKNBSJ-LLVKDONJSA-N 2 0 299.365 1.511 10 0 CDAERP CC(C)[NH2+]C[C@@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)(C)C ZINC001380072004 976229695 /nfs/dbraw/zinc/22/96/95/976229695.db2.gz IRMJCSPGSSECMR-LSDHHAIUSA-N 2 0 295.471 1.857 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)C1CC[NH+](CCF)CC1 ZINC001380129660 976255455 /nfs/dbraw/zinc/25/54/55/976255455.db2.gz JBQUOFZPQAHYIL-GFCCVEGCSA-N 2 0 273.396 1.124 10 0 CDAERP Cc1ccc(F)cc1C[NH2+][C@H](C)CNC(=O)CC[NH+](C)C ZINC001399039555 976303830 /nfs/dbraw/zinc/30/38/30/976303830.db2.gz RTYNCZMMOBISJY-CYBMUJFWSA-N 2 0 295.402 1.680 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CCc1ccccc1 ZINC001390479174 976321654 /nfs/dbraw/zinc/32/16/54/976321654.db2.gz ZTRWOKKGNLGZCS-CQSZACIVSA-N 2 0 277.412 1.275 10 0 CDAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CCC(C)(C)C ZINC001390487559 976325499 /nfs/dbraw/zinc/32/54/99/976325499.db2.gz XTOVHQJTFCCVNI-KGLIPLIRSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001402515168 976330813 /nfs/dbraw/zinc/33/08/13/976330813.db2.gz PJCTVMABWOEUGU-QEJZJMRPSA-N 2 0 299.434 1.703 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001402589554 976384166 /nfs/dbraw/zinc/38/41/66/976384166.db2.gz KNMRORQIGCGFHR-CNBHBECHSA-N 2 0 285.819 1.460 10 0 CDAERP Cc1cnc([C@@H](C)[NH2+][C@H](C)CCNC(=O)CC[NH+](C)C)o1 ZINC001390697438 976440972 /nfs/dbraw/zinc/44/09/72/976440972.db2.gz GFDSGYYVGALDSG-DGCLKSJQSA-N 2 0 296.415 1.480 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001390759743 976489559 /nfs/dbraw/zinc/48/95/59/976489559.db2.gz XOAPTGYTDRGTAE-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)C1CN(CC[C@H]2CCCO2)C1 ZINC001407087794 976545734 /nfs/dbraw/zinc/54/57/34/976545734.db2.gz UOBKBRKCBSTFIO-OAHLLOKOSA-N 2 0 297.443 1.040 10 0 CDAERP CC[C@H](C[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)C(C)C)C1)OC ZINC001407206024 976602880 /nfs/dbraw/zinc/60/28/80/976602880.db2.gz JYPDDDSIVZPDEI-ZBFHGGJFSA-N 2 0 299.459 1.332 10 0 CDAERP CC[NH2+]C1(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CCOCC1 ZINC001407310026 976636408 /nfs/dbraw/zinc/63/64/08/976636408.db2.gz ONBJWCPWZAFACA-OKILXGFUSA-N 2 0 297.443 1.134 10 0 CDAERP CC(C)(C(=O)NC[C@H]1CC[N@H+](CCF)C1)[NH+]1CCCC1 ZINC001391095042 976685096 /nfs/dbraw/zinc/68/50/96/976685096.db2.gz HAQIFZMGVDGYPO-CYBMUJFWSA-N 2 0 285.407 1.268 10 0 CDAERP CCC[N@H+](CCF)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001391135341 976712028 /nfs/dbraw/zinc/71/20/28/976712028.db2.gz IXNBTBFKWRNKRL-UHFFFAOYSA-N 2 0 287.423 1.659 10 0 CDAERP Cc1cc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)cs1 ZINC001403134852 976750889 /nfs/dbraw/zinc/75/08/89/976750889.db2.gz JICRZIZAJOFFBD-SMDDNHRTSA-N 2 0 295.452 1.603 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001399931797 976754208 /nfs/dbraw/zinc/75/42/08/976754208.db2.gz PBDVKUDYFJWTAG-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC(C[N@H+](C)CC2CCC2)CC1 ZINC001391367207 976842265 /nfs/dbraw/zinc/84/22/65/976842265.db2.gz PJRPISVBMPUGTI-UHFFFAOYSA-N 2 0 295.471 1.909 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2C[C@@H](F)CC ZINC001400113311 976859381 /nfs/dbraw/zinc/85/93/81/976859381.db2.gz IIZVASZUFNHYKG-SOUVJXGZSA-N 2 0 299.434 1.752 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)Cc1ccsc1 ZINC001381502831 976871418 /nfs/dbraw/zinc/87/14/18/976871418.db2.gz QUKZPTNHBOJBTG-GXTWGEPZSA-N 2 0 295.452 1.779 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH+](C)CCF)C1 ZINC001400216990 976932107 /nfs/dbraw/zinc/93/21/07/976932107.db2.gz KRVXENBQRPFLEK-LSDHHAIUSA-N 2 0 299.434 1.611 10 0 CDAERP CC[C@@H](C)C[N@H+](C)[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001381612203 976948967 /nfs/dbraw/zinc/94/89/67/976948967.db2.gz SDXFCQALXLZTLQ-KGLIPLIRSA-N 2 0 281.444 1.565 10 0 CDAERP CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001403443557 976958563 /nfs/dbraw/zinc/95/85/63/976958563.db2.gz FTYXMHKLANXKJX-XQLPTFJDSA-N 2 0 281.444 1.277 10 0 CDAERP CC[NH+]1CCC2(CC1)CN(C(=O)C[N@H+](C)C(C)C)CCO2 ZINC001408254605 976975382 /nfs/dbraw/zinc/97/53/82/976975382.db2.gz AQQVOMLXLUZLHN-UHFFFAOYSA-N 2 0 297.443 1.040 10 0 CDAERP Cc1ncoc1C[NH2+][C@H](C)CCNC(=O)C[N@H+](C)C(C)C ZINC001403489240 976987678 /nfs/dbraw/zinc/98/76/78/976987678.db2.gz PRGOSYGKFVHJQF-GFCCVEGCSA-N 2 0 296.415 1.308 10 0 CDAERP Cc1ncoc1C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001403575278 977076767 /nfs/dbraw/zinc/07/67/67/977076767.db2.gz HOKVSRUHPHVKII-WCQYABFASA-N 2 0 294.399 1.014 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCCC(C)C)C1 ZINC001400625732 977113992 /nfs/dbraw/zinc/11/39/92/977113992.db2.gz QLLLLLLXEKCLFN-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)C[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001382020994 977124450 /nfs/dbraw/zinc/12/44/50/977124450.db2.gz YKLUDLGMTGVCIV-VGWMRTNUSA-N 2 0 295.471 2.000 10 0 CDAERP CC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](CC2CCC2)C1)[NH+](C)C ZINC001400731065 977162341 /nfs/dbraw/zinc/16/23/41/977162341.db2.gz TXYVHPDZLFBCGE-HUUCEWRRSA-N 2 0 281.444 1.659 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1cnc(C)o1 ZINC001382157218 977191854 /nfs/dbraw/zinc/19/18/54/977191854.db2.gz HRDXEQXWBZFGNX-GFCCVEGCSA-N 2 0 296.415 1.261 10 0 CDAERP C[C@H](C[NH2+]CC1CCCC1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001392107089 977221743 /nfs/dbraw/zinc/22/17/43/977221743.db2.gz AOFAQZCVSJAUAD-CQSZACIVSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](C[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C)OC ZINC001403836906 977224452 /nfs/dbraw/zinc/22/44/52/977224452.db2.gz WKUQLLPOTJTDFH-KGLIPLIRSA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@H](C(=O)NC[C@H]([NH2+]CC1CCC1)C(C)C)[NH+](C)C ZINC001392227678 977272777 /nfs/dbraw/zinc/27/27/77/977272777.db2.gz NYHYMTOSVMAWJG-LSDHHAIUSA-N 2 0 283.460 1.857 10 0 CDAERP Cc1ncsc1C[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001392534093 977474296 /nfs/dbraw/zinc/47/42/96/977474296.db2.gz CVAGUFPRNXTFRB-LLVKDONJSA-N 2 0 298.456 1.386 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(F)cn1 ZINC001392615670 977504217 /nfs/dbraw/zinc/50/42/17/977504217.db2.gz CSRBRHJBSIWNJL-LBPRGKRZSA-N 2 0 296.390 1.155 10 0 CDAERP CC(C)C[N@H+](C)C[C@H](C)NC(=O)C[C@H](C)n1ccnc1 ZINC001392700159 977556875 /nfs/dbraw/zinc/55/68/75/977556875.db2.gz GVHCTHNYIQVNIK-KBPBESRZSA-N 2 0 280.416 1.927 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CC1CC1 ZINC001392740847 977578985 /nfs/dbraw/zinc/57/89/85/977578985.db2.gz YUDGXWRMOXGOAW-CABCVRRESA-N 2 0 281.444 1.613 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1CCC1CCCC1 ZINC001392853536 977624468 /nfs/dbraw/zinc/62/44/68/977624468.db2.gz LCADRNGFJUQFCZ-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCCF ZINC001393468068 977796423 /nfs/dbraw/zinc/79/64/23/977796423.db2.gz UJBPIGNWOGYTMY-GJZGRUSLSA-N 2 0 299.434 1.752 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC2(C1)CC[NH+](CCCF)CC2 ZINC001393503184 977807525 /nfs/dbraw/zinc/80/75/25/977807525.db2.gz VVWZTXINYMPHBY-UHFFFAOYSA-N 2 0 299.434 1.611 10 0 CDAERP C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CCCC1 ZINC001394542269 978198482 /nfs/dbraw/zinc/19/84/82/978198482.db2.gz UCKSFEUDJGXBCQ-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[NH2+][C@@H](C)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001674720216 1173995967 /nfs/dbraw/zinc/99/59/67/1173995967.db2.gz AAZLCWMXHKCQCX-RYUDHWBXSA-N 2 0 255.406 1.219 10 0 CDAERP CC(C)=CC[N@@H+](C)[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001570748027 1170267768 /nfs/dbraw/zinc/26/77/68/1170267768.db2.gz QJOPLOKETVFHAN-AWEZNQCLSA-N 2 0 279.428 1.485 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001571484275 1170449941 /nfs/dbraw/zinc/44/99/41/1170449941.db2.gz CHLHQNHDRUQXEY-KGLIPLIRSA-N 2 0 269.433 1.707 10 0 CDAERP CCOCCC[NH2+][C@H]1C[C@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001571493595 1170453033 /nfs/dbraw/zinc/45/30/33/1170453033.db2.gz SRRKQOSGRPPSSU-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C ZINC001571526343 1170463861 /nfs/dbraw/zinc/46/38/61/1170463861.db2.gz FODLBEOFNAGZAY-OLZOCXBDSA-N 2 0 255.406 1.316 10 0 CDAERP CCC[NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C ZINC001571562947 1170478873 /nfs/dbraw/zinc/47/88/73/1170478873.db2.gz YUXQSYBDOJFZMC-ZDUSSCGKSA-N 2 0 269.433 1.565 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000601045759 342461084 /nfs/dbraw/zinc/46/10/84/342461084.db2.gz OBKPXFORZIRVMY-DZGCQCFKSA-N 2 0 281.444 1.707 10 0 CDAERP CC[NH+]1CCC(CNC(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000586853156 342472872 /nfs/dbraw/zinc/47/28/72/342472872.db2.gz QODZRPNMJOBCIC-AWEZNQCLSA-N 2 0 282.432 1.112 10 0 CDAERP CC[NH2+]CCCNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000561204272 293062598 /nfs/dbraw/zinc/06/25/98/293062598.db2.gz PQCBBHXGPMTNSV-HNNXBMFYSA-N 2 0 296.459 1.646 10 0 CDAERP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CCOCC(=O)OC(C)(C)C ZINC000601294157 342550068 /nfs/dbraw/zinc/55/00/68/342550068.db2.gz KXVFFLZZNGCDFE-TZMCWYRMSA-N 2 0 298.427 1.417 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000623719953 342559293 /nfs/dbraw/zinc/55/92/93/342559293.db2.gz PSPVXPHGNNGCKD-HIFRSBDPSA-N 2 0 296.459 1.643 10 0 CDAERP CCCC[C@H](C[NH3+])NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000418452332 282951292 /nfs/dbraw/zinc/95/12/92/282951292.db2.gz XJPCAKHHEGWNGM-UKRRQHHQSA-N 2 0 282.432 1.289 10 0 CDAERP COc1cncc(C[NH+]2CCC(CC[NH+](C)C)CC2)n1 ZINC000625100521 342030783 /nfs/dbraw/zinc/03/07/83/342030783.db2.gz CLXVJXXLAOYMCY-UHFFFAOYSA-N 2 0 278.400 1.649 10 0 CDAERP Cc1ccsc1[C@@H](CO)NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000351604426 361794768 /nfs/dbraw/zinc/79/47/68/361794768.db2.gz DMSVVRHHMDYLKH-QWHCGFSZSA-N 2 0 284.425 1.135 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2nccn2C1 ZINC000617007398 342603624 /nfs/dbraw/zinc/60/36/24/342603624.db2.gz RWUVPSPGRBCRFN-STQMWFEESA-N 2 0 290.411 1.435 10 0 CDAERP [NH3+]CCN1CC[NH2+][C@@H](c2ccnc3ccccc32)C1 ZINC000616603841 361826186 /nfs/dbraw/zinc/82/61/86/361826186.db2.gz RASCWDPQKMJDFS-OAHLLOKOSA-N 2 0 256.353 1.140 10 0 CDAERP C[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379679702 342140502 /nfs/dbraw/zinc/14/05/02/342140502.db2.gz JTJAGSVQSDBUFN-SQWLQELKSA-N 2 0 289.423 1.764 10 0 CDAERP COCCN(C)C[C@H](O)C[N@@H+]1C[C@H](C)CC[C@@H]1C ZINC000310857674 342139351 /nfs/dbraw/zinc/13/93/51/342139351.db2.gz JYEDKOMDVCGQAR-RDBSUJKOSA-N 2 0 258.406 1.046 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1cccc2cnccc21 ZINC000629399756 361936735 /nfs/dbraw/zinc/93/67/35/361936735.db2.gz VVKXYZPHEXHXMV-UHFFFAOYSA-N 2 0 259.353 1.690 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](c1ccco1)N(C)C ZINC000234727309 536595146 /nfs/dbraw/zinc/59/51/46/536595146.db2.gz XBIUZQLKFHGWIW-OLZOCXBDSA-N 2 0 269.389 1.226 10 0 CDAERP C[C@H](CNC(=O)NCCC1(C[NH3+])CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000652128333 539036311 /nfs/dbraw/zinc/03/63/11/539036311.db2.gz WZCZNDBPSBPSBH-UONOGXRCSA-N 2 0 296.459 1.535 10 0 CDAERP CC1(C)C=C([C@@](O)(C[NH3+])C(F)(F)F)CC(C)(C)[NH2+]1 ZINC000675052602 539048276 /nfs/dbraw/zinc/04/82/76/539048276.db2.gz GSNHMJZBBSABDZ-NSHDSACASA-N 2 0 266.307 1.715 10 0 CDAERP O=C(N[C@@H]1CCCC[NH2+]C1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000333467932 539052097 /nfs/dbraw/zinc/05/20/97/539052097.db2.gz ALKCUMBTPOGBBD-CQSZACIVSA-N 2 0 294.443 1.304 10 0 CDAERP C[C@@H]([NH2+]C/C=C/C[NH2+][C@@H](C)[C@H]1CCCO1)[C@@H]1CCCO1 ZINC000248571764 539065448 /nfs/dbraw/zinc/06/54/48/539065448.db2.gz GHADRDBZKZXJQV-RWGICRFRSA-N 2 0 282.428 1.857 10 0 CDAERP CC(C)CN1CC[NH+]([C@H]2CCC[C@H](C[NH3+])C2)CC1 ZINC000675053921 539069274 /nfs/dbraw/zinc/06/92/74/539069274.db2.gz PYANIKQKXQLVIW-GJZGRUSLSA-N 2 0 253.434 1.778 10 0 CDAERP CC(C)(C[NH3+])[C@@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC000669377525 539072109 /nfs/dbraw/zinc/07/21/09/539072109.db2.gz SAISUEVLPFMZPT-MRXNPFEDSA-N 2 0 262.397 1.998 10 0 CDAERP COC(=O)CCCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000600712955 342243867 /nfs/dbraw/zinc/24/38/67/342243867.db2.gz ZXFGZVJKXZWEKA-KBPBESRZSA-N 2 0 268.401 1.794 10 0 CDAERP CC[C@H]1C[NH+](C[C@@H]2CC[C@H](C[NH3+])O2)C[C@H](CC)O1 ZINC000675059052 539084248 /nfs/dbraw/zinc/08/42/48/539084248.db2.gz IRTWQXDNEJDHPG-FQUUOJAGSA-N 2 0 256.390 1.382 10 0 CDAERP COC(=O)c1cc(C[NH2+]CC2=CC[N@H+](C)CC2)c(C)o1 ZINC000594608011 342926204 /nfs/dbraw/zinc/92/62/04/342926204.db2.gz XCXHWQVGKARGBB-UHFFFAOYSA-N 2 0 278.352 1.726 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000594960928 342984411 /nfs/dbraw/zinc/98/44/11/342984411.db2.gz UEDMDQPSRAISBU-FXWVIZHFSA-N 2 0 266.385 1.399 10 0 CDAERP C[C@H](CSCCF)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000595032925 342997412 /nfs/dbraw/zinc/99/74/12/342997412.db2.gz NEUIFKOXOQZNES-UONOGXRCSA-N 2 0 291.480 1.693 10 0 CDAERP Cn1cncc1CCCN1CCOC[C@@H]1CC(F)F ZINC000565174168 362112153 /nfs/dbraw/zinc/11/21/53/362112153.db2.gz SHXVURKMCUHFHN-LBPRGKRZSA-N 2 0 273.327 1.709 10 0 CDAERP CSC[C@H]1CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000595893616 343182877 /nfs/dbraw/zinc/18/28/77/343182877.db2.gz REAQEENDPBPYGA-NEPJUHHUSA-N 2 0 256.415 1.335 10 0 CDAERP CCCC[NH+]1CCC(N[C@@H]2C[NH2+]C[C@H](C)C2)CC1 ZINC000401717149 412501146 /nfs/dbraw/zinc/50/11/46/412501146.db2.gz YQQRCUDFUNCPKN-HIFRSBDPSA-N 2 0 253.434 1.839 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)[C@@H]1CC[NH2+]C1 ZINC000629514923 362129830 /nfs/dbraw/zinc/12/98/30/362129830.db2.gz VZKNCBHWRLDWFH-BJJXKVORSA-N 2 0 260.381 1.716 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000629530872 362160527 /nfs/dbraw/zinc/16/05/27/362160527.db2.gz TZYBNSBFSAYDTO-HNNXBMFYSA-N 2 0 263.385 1.748 10 0 CDAERP CN(CC[NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000417938685 529906227 /nfs/dbraw/zinc/90/62/27/529906227.db2.gz JMQFXNVKDCKQAU-ZIAGYGMSSA-N 2 0 276.384 1.032 10 0 CDAERP CC(C)(C)[NH2+]CCNC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000569690560 362410224 /nfs/dbraw/zinc/41/02/24/362410224.db2.gz GMGUJJKSJUFYJP-QWHCGFSZSA-N 2 0 269.433 1.788 10 0 CDAERP C[N@H+](CCNC(=O)C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC000071378746 344877300 /nfs/dbraw/zinc/87/73/00/344877300.db2.gz QCVUPMMOUNJJLF-CYBMUJFWSA-N 2 0 267.417 1.367 10 0 CDAERP C[N@@H+]1CC[C@]2(CCN(c3nc(N)[nH+]c4c3CCCC4)C2)C1 ZINC000645247137 362569345 /nfs/dbraw/zinc/56/93/45/362569345.db2.gz AMONDIGGHMXBOR-INIZCTEOSA-N 2 0 287.411 1.300 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+][C@@H]1c2ccccc2CN(C)C1=O ZINC000623240254 345743611 /nfs/dbraw/zinc/74/36/11/345743611.db2.gz FICSQWYKGDZUEI-IUODEOHRSA-N 2 0 275.396 1.807 10 0 CDAERP CCN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000617552881 345847620 /nfs/dbraw/zinc/84/76/20/345847620.db2.gz XBBQZYAYIAENMO-CQSZACIVSA-N 2 0 267.417 1.271 10 0 CDAERP C[NH2+][C@@H]1C[C@@H](C)C[C@@H](C)[C@@H]1C[NH+]1CCC(CO)CC1 ZINC000084940572 178933649 /nfs/dbraw/zinc/93/36/49/178933649.db2.gz MXSDGLSJOAGTPH-LQKXBSAESA-N 2 0 268.445 1.961 10 0 CDAERP CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623362708 346090904 /nfs/dbraw/zinc/09/09/04/346090904.db2.gz GQYVHFMGMWCREO-QWHCGFSZSA-N 2 0 269.433 1.754 10 0 CDAERP C[C@@](O)(C[NH3+])C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000085304339 179010893 /nfs/dbraw/zinc/01/08/93/179010893.db2.gz URPRNNSBKUPMRU-MRXNPFEDSA-N 2 0 262.397 1.651 10 0 CDAERP CC[N@H+](C[C@@](O)(C[NH3+])c1ccccc1)[C@@H](C)COC ZINC000085300721 179010265 /nfs/dbraw/zinc/01/02/65/179010265.db2.gz LWUUYFBPCVTWLK-ZFWWWQNUSA-N 2 0 266.385 1.190 10 0 CDAERP C[NH+](C)Cc1ccccc1NC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000085359259 179031841 /nfs/dbraw/zinc/03/18/41/179031841.db2.gz LMVFZSDBLFZZNP-CHWSQXEVSA-N 2 0 261.369 1.814 10 0 CDAERP C[NH+](C)CCN(Cc1cccnc1)C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085369379 179039385 /nfs/dbraw/zinc/03/93/85/179039385.db2.gz QDHDVONVPQKESZ-GJZGRUSLSA-N 2 0 290.411 1.099 10 0 CDAERP CCc1nc2c(n1CC[N@H+](C)C(C)C)CC[NH2+]C2 ZINC000085570916 179095966 /nfs/dbraw/zinc/09/59/66/179095966.db2.gz NIUNDJVCRCGMNF-UHFFFAOYSA-N 2 0 250.390 1.431 10 0 CDAERP CCCc1nc2c(n1C[C@H]1CC[N@H+](C)C1)CC[NH2+]C2 ZINC000085570458 179096399 /nfs/dbraw/zinc/09/63/99/179096399.db2.gz FKHLQJJIQNVARH-LBPRGKRZSA-N 2 0 262.401 1.433 10 0 CDAERP CC[C@@H](C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)OC ZINC000412978980 362741203 /nfs/dbraw/zinc/74/12/03/362741203.db2.gz ROLGLRYQWUVZOV-CVEARBPZSA-N 2 0 283.460 1.513 10 0 CDAERP CC[NH+](CC)[C@H](CNC(=O)C1C[NH2+]C1)Cc1ccccc1 ZINC000263302418 362759540 /nfs/dbraw/zinc/75/95/40/362759540.db2.gz NRPIXVQTQYPSLF-INIZCTEOSA-N 2 0 289.423 1.275 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)c1sccc1C[NH+](C)C ZINC000540515061 282509666 /nfs/dbraw/zinc/50/96/66/282509666.db2.gz UOYADVJTGUHMFP-UHFFFAOYSA-N 2 0 283.441 1.833 10 0 CDAERP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C2C[NH2+]C2)C1 ZINC000263327171 362774337 /nfs/dbraw/zinc/77/43/37/362774337.db2.gz TUQSJNLKZUZRFM-RYUDHWBXSA-N 2 0 267.417 1.079 10 0 CDAERP CC[NH+](CC)Cc1ccccc1NC(=O)[C@]1([NH3+])CCOC1 ZINC000085873514 179193942 /nfs/dbraw/zinc/19/39/42/179193942.db2.gz XFHYRXQSPHSWBF-INIZCTEOSA-N 2 0 291.395 1.585 10 0 CDAERP CC[C@H]1CN(C[C@@H]2CC[N@H+](CC)C2)[C@@H](CC)C[NH2+]1 ZINC000086223055 179251156 /nfs/dbraw/zinc/25/11/56/179251156.db2.gz RWXUHOMSWBNSRI-ILXRZTDVSA-N 2 0 253.434 1.791 10 0 CDAERP CC[C@@H]1C[NH2+][C@@H](C2CC2)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086223962 179252775 /nfs/dbraw/zinc/25/27/75/179252775.db2.gz JWPAUVKIXQURCF-RBSFLKMASA-N 2 0 251.418 1.543 10 0 CDAERP CC[C@H]1CN([C@@H]2CCC[N@H+](C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086223983 179253015 /nfs/dbraw/zinc/25/30/15/179253015.db2.gz HTFISHKVGXTVIY-ZNMIVQPWSA-N 2 0 253.434 1.789 10 0 CDAERP COCC[C@H](COC)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623528458 347616641 /nfs/dbraw/zinc/61/66/41/347616641.db2.gz NTPYVXZAILVSII-QWHCGFSZSA-N 2 0 258.406 1.500 10 0 CDAERP CN(CCC[N@H+](C)Cc1ccco1)C(=O)NC/C=C/C[NH3+] ZINC000641862535 365946566 /nfs/dbraw/zinc/94/65/66/365946566.db2.gz PDDKOHWGUBLCQB-ONEGZZNKSA-N 2 0 294.399 1.258 10 0 CDAERP [NH3+]C/C=C/CNC(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000641864465 365949061 /nfs/dbraw/zinc/94/90/61/365949061.db2.gz FQLBRSQELFNQNK-SNAWJCMRSA-N 2 0 294.443 1.409 10 0 CDAERP CC[NH+](CC)CCc1noc(C[C@@H]([NH3+])C(C)(C)C)n1 ZINC000104072700 185893187 /nfs/dbraw/zinc/89/31/87/185893187.db2.gz NEOIJJXUPQJDKA-LLVKDONJSA-N 2 0 268.405 1.870 10 0 CDAERP COC1([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)CCOCC1 ZINC000414192575 362927796 /nfs/dbraw/zinc/92/77/96/362927796.db2.gz SLLNLSRPJKFZJT-HUUCEWRRSA-N 2 0 284.444 1.892 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000629538440 362953970 /nfs/dbraw/zinc/95/39/70/362953970.db2.gz MWONJSHWZOWLTI-AWEZNQCLSA-N 2 0 264.369 1.725 10 0 CDAERP C[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000044526627 282694916 /nfs/dbraw/zinc/69/49/16/282694916.db2.gz QQQXTQDFPCCLKG-KKUMJFAQSA-N 2 0 279.428 1.365 10 0 CDAERP CN(C(=O)[C@@H]1CCC[NH2+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309703143 350541162 /nfs/dbraw/zinc/54/11/62/350541162.db2.gz GVEBCLOPGLQJAO-CVEARBPZSA-N 2 0 287.407 1.471 10 0 CDAERP CC1(C)OCC[C@@H]1[NH2+]CCC[NH2+][C@H]1CCOC1(C)C ZINC000451241582 363004856 /nfs/dbraw/zinc/00/48/56/363004856.db2.gz JRBSRAFWIKPMSS-STQMWFEESA-N 2 0 270.417 1.691 10 0 CDAERP C/C=C/C[C@H]1CCC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000629595826 363096198 /nfs/dbraw/zinc/09/61/98/363096198.db2.gz YGFBKFPXSRFZRU-FAAWYNLUSA-N 2 0 251.418 1.570 10 0 CDAERP CC(C)N(C(=O)[C@@H](C)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)C(C)C ZINC000629592879 363103838 /nfs/dbraw/zinc/10/38/38/363103838.db2.gz FXCXXECFEHIOOW-OIISXLGYSA-N 2 0 295.471 1.952 10 0 CDAERP C[C@]1(CN2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)CC[NH2+]C1 ZINC000629654171 363255148 /nfs/dbraw/zinc/25/51/48/363255148.db2.gz MXMGZGDMFKVSFE-UTUOFQBUSA-N 2 0 279.350 1.445 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000569458031 358484278 /nfs/dbraw/zinc/48/42/78/358484278.db2.gz DRUBLRFEEQIUFR-XQLPTFJDSA-N 2 0 279.428 1.365 10 0 CDAERP O=C(C[C@H]1CCC[NH2+]CC1)N1CCC2(C1)CC[NH2+]CC2 ZINC000336454501 356185164 /nfs/dbraw/zinc/18/51/64/356185164.db2.gz XIBZTALGYKBGNX-AWEZNQCLSA-N 2 0 279.428 1.368 10 0 CDAERP C[C@H]1CN(C(=O)Nc2cccc(C[NH3+])c2)C[C@@H]1[NH+](C)C ZINC000124472018 538450987 /nfs/dbraw/zinc/45/09/87/538450987.db2.gz DATATXVDZXSSJL-FZMZJTMJSA-N 2 0 276.384 1.559 10 0 CDAERP c1cc(C[NH2+]CCCC[NH+]2CCOCC2)nc2c1CCC2 ZINC000560582155 290507231 /nfs/dbraw/zinc/50/72/31/290507231.db2.gz XDHIPHSAZBUMAF-UHFFFAOYSA-N 2 0 289.423 1.772 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2(C(N)=O)CCCC2)[C@H]2CCC[C@H]21 ZINC000565552701 357153961 /nfs/dbraw/zinc/15/39/61/357153961.db2.gz DDTWAQWNBFSZQP-HZSPNIEDSA-N 2 0 279.428 1.495 10 0 CDAERP CCCC[NH+]1CCC([NH2+]C[C@@H](O)C[C@](C)(O)C2CC2)CC1 ZINC000634703867 357376936 /nfs/dbraw/zinc/37/69/36/357376936.db2.gz CEKGYMPNQKWHJC-IRXDYDNUSA-N 2 0 298.471 1.753 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@@H]([NH3+])CC1CCCCC1)C2 ZINC000634742480 358189983 /nfs/dbraw/zinc/18/99/83/358189983.db2.gz MVWUPBPJZKEKET-BHYGNILZSA-N 2 0 293.455 1.742 10 0 CDAERP COC(=O)[C@@H]1C[N@H+](CCCC2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000600732194 358705623 /nfs/dbraw/zinc/70/56/23/358705623.db2.gz YHTZNMHZFNOFIW-OCCSQVGLSA-N 2 0 284.400 1.029 10 0 CDAERP c1cncc([C@H]2C[NH2+]CCN2CCC2CC[NH2+]CC2)c1 ZINC000261840944 359067595 /nfs/dbraw/zinc/06/75/95/359067595.db2.gz ULLKLCNZOCDVGS-MRXNPFEDSA-N 2 0 274.412 1.418 10 0 CDAERP C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2C[C@@]2(C)CC[NH2+]C2)C[C@@H](C)O1 ZINC000261894698 359080993 /nfs/dbraw/zinc/08/09/93/359080993.db2.gz UOVNOKBAADSIDY-NCOADZHNSA-N 2 0 295.471 1.560 10 0 CDAERP Cc1cc(C[NH3+])cc(NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000335233612 359081144 /nfs/dbraw/zinc/08/11/44/359081144.db2.gz DEAKWUWIUVHZIB-AAEUAGOBSA-N 2 0 261.369 1.780 10 0 CDAERP CC(C)CN1CC[N@H+](CC(C)C)C[C@@H]1C1=[NH+]CCN1 ZINC000029345481 359162359 /nfs/dbraw/zinc/16/23/59/359162359.db2.gz JTSKQFUFJJIQMW-CQSZACIVSA-N 2 0 266.433 1.286 10 0 CDAERP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cnc(C)nc1 ZINC000347783594 359594940 /nfs/dbraw/zinc/59/49/40/359594940.db2.gz ZCCRKHSBKDMWOY-AWEZNQCLSA-N 2 0 266.389 1.231 10 0 CDAERP C(CN[C@H](C1CC1)[C@@H]1C[NH2+]CCO1)C[NH+]1CCCCC1 ZINC000422793920 359657716 /nfs/dbraw/zinc/65/77/16/359657716.db2.gz XRHUZWXCHBTNQM-JKSUJKDBSA-N 2 0 281.444 1.219 10 0 CDAERP CCc1nn(C)c(CC)c1C[NH2+][C@@H](CCC[NH3+])COC ZINC000422998748 359707388 /nfs/dbraw/zinc/70/73/88/359707388.db2.gz DEDMGYCYPKEMPA-LBPRGKRZSA-N 2 0 282.432 1.388 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1NCCc2ccccc21 ZINC000423416656 359775694 /nfs/dbraw/zinc/77/56/94/359775694.db2.gz FXSKKHGEWARDOP-ZBFHGGJFSA-N 2 0 277.412 1.217 10 0 CDAERP C[C@H](N[C@H]1C[NH2+]CCC1(F)F)c1c[nH+]ccc1N ZINC000423486925 359816376 /nfs/dbraw/zinc/81/63/76/359816376.db2.gz SZEIIBUSNWGXMP-KWQFWETISA-N 2 0 256.300 1.142 10 0 CDAERP C[N@H+](CC1CC[NH+](CCO)CC1)CC1(O)CCCCC1 ZINC000069629984 359927780 /nfs/dbraw/zinc/92/77/80/359927780.db2.gz TXMTWASJBVJPIS-UHFFFAOYSA-N 2 0 284.444 1.318 10 0 CDAERP CC[C@@]1(C(=O)NC[C@H](C)C[NH+]2CCCCC2)CC[NH2+]C1 ZINC000062896830 360027404 /nfs/dbraw/zinc/02/74/04/360027404.db2.gz IZEWDMPKQSTREP-GOEBONIOSA-N 2 0 281.444 1.614 10 0 CDAERP C[C@@H]1CCC[C@H]1[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000337461433 360150234 /nfs/dbraw/zinc/15/02/34/360150234.db2.gz KOZNZBULHKJPNV-IUODEOHRSA-N 2 0 279.428 1.508 10 0 CDAERP CCNC(=O)N1CC[C@H]([NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)C1 ZINC000090411713 360212725 /nfs/dbraw/zinc/21/27/25/360212725.db2.gz JYRLAZGRXVQLQO-XUXIUFHCSA-N 2 0 282.432 1.109 10 0 CDAERP O=C(N1CCC[C@@]2(CC[NH2+]C2)C1)C12CCC[NH+]1CCC2 ZINC000335500744 360273295 /nfs/dbraw/zinc/27/32/95/360273295.db2.gz PRGMRKFKFCEUMK-HNNXBMFYSA-N 2 0 277.412 1.217 10 0 CDAERP C(N1CC[NH+](C2CCCCC2)CC1)C12CC(C1)C[NH2+]2 ZINC000634991935 360618000 /nfs/dbraw/zinc/61/80/00/360618000.db2.gz XDNNCURBTODHQS-UHFFFAOYSA-N 2 0 263.429 1.689 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC1([NH+](C)C)CCCC1 ZINC000626920683 360638125 /nfs/dbraw/zinc/63/81/25/360638125.db2.gz JDKKRUKMCPMTLC-QWHCGFSZSA-N 2 0 282.432 1.301 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000626947306 360685553 /nfs/dbraw/zinc/68/55/53/360685553.db2.gz RITUXCXUTFJEEC-ZOBORPQBSA-N 2 0 282.432 1.156 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000626947222 360685842 /nfs/dbraw/zinc/68/58/42/360685842.db2.gz PIEMLTRBJJUKQM-MELADBBJSA-N 2 0 296.459 1.547 10 0 CDAERP C[C@H]1C[C@H](NC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[N@@H+]1C1CC1 ZINC000417857663 360784995 /nfs/dbraw/zinc/78/49/95/360784995.db2.gz OOUYLKPYCVNERT-FQUUOJAGSA-N 2 0 292.427 1.148 10 0 CDAERP COC1(C[C@@H](C)[NH2+]CCCN2CC[NH+](C)CC2)CCC1 ZINC000429361433 360812673 /nfs/dbraw/zinc/81/26/73/360812673.db2.gz DUJZGWLSLHHPMD-OAHLLOKOSA-N 2 0 283.460 1.561 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)CC[NH+](C)C)[C@H](C)C1 ZINC000448468430 360893618 /nfs/dbraw/zinc/89/36/18/360893618.db2.gz UYBFRJKRSVJWCS-KFWWJZLASA-N 2 0 298.475 1.698 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)NCC[NH2+]C(C)(C)C ZINC000431768389 361045268 /nfs/dbraw/zinc/04/52/68/361045268.db2.gz KHPCAFIXFFSFDV-ZDUSSCGKSA-N 2 0 269.433 1.755 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)[C@H]2CCC[C@@H]21 ZINC000566348033 370689470 /nfs/dbraw/zinc/68/94/70/370689470.db2.gz KHCBTMUYQFOTIJ-UKMLZYKCSA-N 2 0 291.439 1.460 10 0 CDAERP COc1cncc(/C=C/CC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000645780023 361485213 /nfs/dbraw/zinc/48/52/13/361485213.db2.gz IEGNPQNLDSEKBX-MMTUSNEMSA-N 2 0 273.380 1.645 10 0 CDAERP CN(C)c1ccncc1C[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000623754427 363860257 /nfs/dbraw/zinc/86/02/57/363860257.db2.gz OHXBTHFMYYTTRI-HIFRSBDPSA-N 2 0 261.369 1.805 10 0 CDAERP CCC[NH+]1CCC(C[NH2+]C[C@@H](C)S(C)(=O)=O)CC1 ZINC000580709904 364619959 /nfs/dbraw/zinc/61/99/59/364619959.db2.gz QLJUPFREWDNCGF-GFCCVEGCSA-N 2 0 276.446 1.131 10 0 CDAERP CC(C)C[C@@H]([NH3+])c1noc(-c2cc([C@@H]3CC[NH2+]C3)[nH]n2)n1 ZINC000514603722 364753616 /nfs/dbraw/zinc/75/36/16/364753616.db2.gz WAWBHWUEFLIZJE-NXEZZACHSA-N 2 0 290.371 1.583 10 0 CDAERP COCCCn1c(C)c[nH+]c1CC1CC[NH2+]CC1 ZINC000169676621 365043929 /nfs/dbraw/zinc/04/39/29/365043929.db2.gz SNFKLGJFFPBQCH-UHFFFAOYSA-N 2 0 251.374 1.770 10 0 CDAERP CC[C@H](Cn1cncn1)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000353413481 365190974 /nfs/dbraw/zinc/19/09/74/365190974.db2.gz PSBTXJQQBBDOLK-RDBSUJKOSA-N 2 0 263.389 1.273 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCOC[C@@H]2CCOC2)[C@H]2CCC[C@H]21 ZINC000353531479 365281386 /nfs/dbraw/zinc/28/13/86/365281386.db2.gz VFZPOLYJNSYSDI-VVLHAWIVSA-N 2 0 296.455 1.892 10 0 CDAERP CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)CC)[C@H]1CCCCO1 ZINC000653873633 412744193 /nfs/dbraw/zinc/74/41/93/412744193.db2.gz SWBBFMXJAJAJAW-MELADBBJSA-N 2 0 258.406 1.236 10 0 CDAERP CC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000414005912 241017839 /nfs/dbraw/zinc/01/78/39/241017839.db2.gz OFZVXVXSBULXSR-GJZGRUSLSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H]([NH2+]CCCC[NH+](C)C)c1cc2n(n1)CCC2 ZINC000414084623 241060094 /nfs/dbraw/zinc/06/00/94/241060094.db2.gz XJUYIVDFDXWNOH-LBPRGKRZSA-N 2 0 250.390 1.822 10 0 CDAERP C[NH2+]C[C@@H](C)C[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000414843066 367195595 /nfs/dbraw/zinc/19/55/95/367195595.db2.gz PNUWDQHUBMFPPC-LLVKDONJSA-N 2 0 264.398 1.879 10 0 CDAERP C[C@H](NC(=O)N[C@@H]1CC[NH2+]C12CCC2)C(C)(C)C[NH+](C)C ZINC000626996984 367217855 /nfs/dbraw/zinc/21/78/55/367217855.db2.gz KRQPFEMXLRUHAO-QWHCGFSZSA-N 2 0 296.459 1.547 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)C[NH2+]1 ZINC000627020552 367243765 /nfs/dbraw/zinc/24/37/65/367243765.db2.gz IYONJRQEJZPYLR-IPYPFGDCSA-N 2 0 294.443 1.443 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627042391 367293084 /nfs/dbraw/zinc/29/30/84/367293084.db2.gz ZTCRRMHRHCSQSX-MJBXVCDLSA-N 2 0 284.448 1.547 10 0 CDAERP CCCC[C@H](C[NH3+])NC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627079847 367376800 /nfs/dbraw/zinc/37/68/00/367376800.db2.gz KVVMALNJPCJZIY-NEPJUHHUSA-N 2 0 268.405 1.088 10 0 CDAERP CN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627128859 367506018 /nfs/dbraw/zinc/50/60/18/367506018.db2.gz OOBBVXUSEVQVTK-CQSZACIVSA-N 2 0 294.443 1.398 10 0 CDAERP C[C@H]([NH2+]Cc1ccc(-n2cncn2)cc1)[C@H]1CCC[NH2+]C1 ZINC000414849658 367584947 /nfs/dbraw/zinc/58/49/47/367584947.db2.gz HMRUNCXWSVYKAO-ZFWWWQNUSA-N 2 0 285.395 1.745 10 0 CDAERP CC[NH+](CC)[C@H](CNC(=O)NCCC[NH3+])c1ccccc1 ZINC000416830683 242173435 /nfs/dbraw/zinc/17/34/35/242173435.db2.gz AJNCHDGEDFXJQX-OAHLLOKOSA-N 2 0 292.427 1.718 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)CC[NH+]1CCCCC1 ZINC000627158597 367587638 /nfs/dbraw/zinc/58/76/38/367587638.db2.gz YYCFYLLQFFIIQA-UONOGXRCSA-N 2 0 282.432 1.254 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000627161156 367591007 /nfs/dbraw/zinc/59/10/07/367591007.db2.gz QNNPKKVOSZTHAQ-ZQDZILKHSA-N 2 0 294.443 1.395 10 0 CDAERP [NH3+]CCCNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000416900417 242218004 /nfs/dbraw/zinc/21/80/04/242218004.db2.gz WSXHGPNXUWHARC-UHFFFAOYSA-N 2 0 290.411 1.430 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](c1ccco1)N1CCCC1 ZINC000234727378 367620226 /nfs/dbraw/zinc/62/02/26/367620226.db2.gz UVBNIUYUKWQDEW-CABCVRRESA-N 2 0 295.427 1.760 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000417011871 242267061 /nfs/dbraw/zinc/26/70/61/242267061.db2.gz UEJKFLQNWLNISH-UPJWGTAASA-N 2 0 270.421 1.143 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)C[NH2+]1 ZINC000627199595 367691856 /nfs/dbraw/zinc/69/18/56/367691856.db2.gz ZNVWMRZTPMCWOC-YRGRVCCFSA-N 2 0 280.416 1.005 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000627201183 367693547 /nfs/dbraw/zinc/69/35/47/367693547.db2.gz YCNHSXFRVUFNMG-HZSPNIEDSA-N 2 0 282.432 1.253 10 0 CDAERP C[C@H]1CC[C@H](NC(=O)NCC[N@@H+]2CCCC(C)(C)C2)C[NH2+]1 ZINC000627201918 367696504 /nfs/dbraw/zinc/69/65/04/367696504.db2.gz DPPJHMQJQRMWLG-KBPBESRZSA-N 2 0 296.459 1.548 10 0 CDAERP C[C@H]1CC[C@H](NC(=O)N(CC[NH+](C)C)C2CCCC2)C[NH2+]1 ZINC000627202604 367697657 /nfs/dbraw/zinc/69/76/57/367697657.db2.gz RVYKVRYFDGHEDO-KBPBESRZSA-N 2 0 296.459 1.643 10 0 CDAERP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627242170 367808051 /nfs/dbraw/zinc/80/80/51/367808051.db2.gz OHWKHFYIZNTTPX-SGMGOOAPSA-N 2 0 282.432 1.109 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000627245840 367870920 /nfs/dbraw/zinc/87/09/20/367870920.db2.gz SSMSIOBWSSRLHJ-GBJTYRQASA-N 2 0 294.443 1.158 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638070754 368019966 /nfs/dbraw/zinc/01/99/66/368019966.db2.gz WBRMHLZJBJRROT-DGCLKSJQSA-N 2 0 251.374 1.025 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)NCC(C)(C)[NH3+])CC1 ZINC000418417339 243052471 /nfs/dbraw/zinc/05/24/71/243052471.db2.gz UAQWHUPOMZZAOJ-UHFFFAOYSA-N 2 0 284.448 1.487 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]([NH3+])CCC(C)C ZINC000638108658 368417611 /nfs/dbraw/zinc/41/76/11/368417611.db2.gz NIYBFIUYKNREFB-KGLIPLIRSA-N 2 0 269.433 1.693 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@H]([NH3+])C2CC2)cc1 ZINC000418466330 243111915 /nfs/dbraw/zinc/11/19/15/243111915.db2.gz RBOQMTWAGUWNAC-HZMBPMFUSA-N 2 0 276.384 1.243 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC[C@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000418545852 243200697 /nfs/dbraw/zinc/20/06/97/243200697.db2.gz GUXLUDZECMMIEK-RRFJBIMHSA-N 2 0 296.459 1.500 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000418565062 243218322 /nfs/dbraw/zinc/21/83/22/243218322.db2.gz XTLPLKMAMAKJQC-HIFRSBDPSA-N 2 0 296.459 1.500 10 0 CDAERP CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000418590084 243246318 /nfs/dbraw/zinc/24/63/18/243246318.db2.gz JHTTWCKBXVQTCH-ZIAGYGMSSA-N 2 0 284.448 1.358 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)CC[NH3+])[C@@H](C)C1 ZINC000418567380 243220034 /nfs/dbraw/zinc/22/00/34/243220034.db2.gz WRODLQIXRZHPRN-AVGNSLFASA-N 2 0 270.421 1.095 10 0 CDAERP CC(C)CC[C@H]([NH3+])C(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000638124016 368518898 /nfs/dbraw/zinc/51/88/98/368518898.db2.gz VGBJZQCVIBHUNZ-KFWWJZLASA-N 2 0 281.444 1.835 10 0 CDAERP C[C@@H](NC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)[C@H](C)[NH3+] ZINC000418720404 243373443 /nfs/dbraw/zinc/37/34/43/243373443.db2.gz JRMJVMGGOUOVLI-SCRDCRAPSA-N 2 0 282.432 1.095 10 0 CDAERP Cn1cc(C[NH2+]CC2CC[NH+](C)CC2)c(C(F)F)n1 ZINC000360950328 368565296 /nfs/dbraw/zinc/56/52/96/368565296.db2.gz BHAJKKDUUUPCCR-UHFFFAOYSA-N 2 0 272.343 1.789 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H]1C1(O)CC1 ZINC000567234571 370925683 /nfs/dbraw/zinc/92/56/83/370925683.db2.gz XWBWAIQATAFQHP-ZIAGYGMSSA-N 2 0 252.402 1.850 10 0 CDAERP c1ccc(C[N@H+]2C[C@@H]3C[NH+]([C@@H]4CCOC4)C[C@@H]3C2)cc1 ZINC000286267941 368755520 /nfs/dbraw/zinc/75/55/20/368755520.db2.gz TWTSOROBLKQFDK-IXDOHACOSA-N 2 0 272.392 1.839 10 0 CDAERP CNC(=O)C[C@@H](NCC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000361633672 368950890 /nfs/dbraw/zinc/95/08/90/368950890.db2.gz WISSPQLZRLUVHB-JKSUJKDBSA-N 2 0 289.423 1.938 10 0 CDAERP CC[NH2+][C@@H](C)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638272575 369040733 /nfs/dbraw/zinc/04/07/33/369040733.db2.gz SJFAYWXKLMXVPS-HOCLYGCPSA-N 2 0 289.423 1.717 10 0 CDAERP OCC[C@H]1CSCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420294582 244037638 /nfs/dbraw/zinc/03/76/38/244037638.db2.gz BHIMRAKRARMIMO-STQMWFEESA-N 2 0 258.431 1.176 10 0 CDAERP CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420304170 244050806 /nfs/dbraw/zinc/05/08/06/244050806.db2.gz LDWASQHZTYZSHW-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCn2ccnc2)[C@@H]2CCC[C@H]21 ZINC000367611335 369199048 /nfs/dbraw/zinc/19/90/48/369199048.db2.gz BRKXQIFLWSKIOB-SOUVJXGZSA-N 2 0 262.401 1.736 10 0 CDAERP Cn1cc(CCC[NH2+][C@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cn1 ZINC000367748469 369235262 /nfs/dbraw/zinc/23/52/62/369235262.db2.gz ZWXUPKMSFIGEPS-OWCLPIDISA-N 2 0 276.428 1.815 10 0 CDAERP CC1(C)C[NH2+][C@@H]1C(=O)NCc1cn2cc(Cl)ccc2n1 ZINC000645305608 369446948 /nfs/dbraw/zinc/44/69/48/369446948.db2.gz UUKXSJCLVKGWIU-GFCCVEGCSA-N 2 0 292.770 1.602 10 0 CDAERP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000368428456 369473105 /nfs/dbraw/zinc/47/31/05/369473105.db2.gz FYYZLXKSSUCQCH-DGAVXFQQSA-N 2 0 267.417 1.350 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170829720 369499175 /nfs/dbraw/zinc/49/91/75/369499175.db2.gz OMLZQBGWBVGKSJ-KBPBESRZSA-N 2 0 282.432 1.206 10 0 CDAERP [NH3+]C1(c2noc(CSC3CC[NH2+]CC3)n2)CCC1 ZINC000564959988 370311451 /nfs/dbraw/zinc/31/14/51/370311451.db2.gz WMGBVASWHFPTOJ-UHFFFAOYSA-N 2 0 268.386 1.393 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)CC[NH2+]C1CC1 ZINC000565212505 370391194 /nfs/dbraw/zinc/39/11/94/370391194.db2.gz BGXBPQFXUSYKEF-CHWSQXEVSA-N 2 0 267.417 1.508 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCC1([NH3+])CCCCCC1 ZINC000418281505 370436112 /nfs/dbraw/zinc/43/61/12/370436112.db2.gz DTEYKPUJQONOEG-GHMZBOCLSA-N 2 0 256.394 1.073 10 0 CDAERP OC1(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCOCC1 ZINC000372175773 370463880 /nfs/dbraw/zinc/46/38/80/370463880.db2.gz MEYYTCOTSYUGSX-GOEBONIOSA-N 2 0 294.439 1.477 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NCC1CC[NH2+]CC1 ZINC000567596214 371056213 /nfs/dbraw/zinc/05/62/13/371056213.db2.gz GNXHAGIFDGWDTB-GFCCVEGCSA-N 2 0 270.421 1.016 10 0 CDAERP C[C@@H]([NH3+])C[C@H](C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000422792686 245262767 /nfs/dbraw/zinc/26/27/67/245262767.db2.gz RKSRMAQPTFFXPC-CVEARBPZSA-N 3 0 296.503 1.652 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N2CCC[NH2+]CC2)CC1 ZINC000417386002 376207207 /nfs/dbraw/zinc/20/72/07/376207207.db2.gz FIBPICFQPMKJQD-UHFFFAOYSA-N 2 0 282.432 1.113 10 0 CDAERP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCCN1CCO ZINC000453266999 372047132 /nfs/dbraw/zinc/04/71/32/372047132.db2.gz OVRNWPWITQGLSA-XHSDSOJGSA-N 2 0 284.444 1.628 10 0 CDAERP CC[NH+](CC)[C@@H](C)CNC(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000173829575 372539800 /nfs/dbraw/zinc/53/98/00/372539800.db2.gz SDHXICLFDBIXKG-GJZGRUSLSA-N 2 0 298.475 1.842 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H](C)[C@H](O)Cc1ccccc1 ZINC000422993458 245475290 /nfs/dbraw/zinc/47/52/90/245475290.db2.gz FQDVBCBRKLPHCF-VNQPRFMTSA-N 2 0 280.412 1.322 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])C[C@@H]1C ZINC000415018335 372784458 /nfs/dbraw/zinc/78/44/58/372784458.db2.gz QTCBRZHSWXQIIQ-CKIKVBCHSA-N 2 0 256.390 1.680 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C ZINC000423097322 245567567 /nfs/dbraw/zinc/56/75/67/245567567.db2.gz AMTOXCSTAQWGEE-UPJWGTAASA-N 2 0 260.422 1.252 10 0 CDAERP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCN[C@@H]2C)[C@@H](n2cncn2)C1 ZINC000333231041 205136282 /nfs/dbraw/zinc/13/62/82/205136282.db2.gz BZPCGRIAOJVWST-ZSAUSMIDSA-N 2 0 277.416 1.738 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000333349315 205241258 /nfs/dbraw/zinc/24/12/58/205241258.db2.gz JISBGFGXWCFNHT-SOUVJXGZSA-N 2 0 296.459 1.486 10 0 CDAERP C[C@H]1C[C@H](N(C)C(=O)NCCC[NH+]2CCCC2)CC[N@@H+]1C ZINC000340995671 373150639 /nfs/dbraw/zinc/15/06/39/373150639.db2.gz RGUHFSYBRQGNRX-LSDHHAIUSA-N 2 0 296.459 1.596 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)NCC[NH+](C)C2CC2)CC[N@@H+]1C ZINC000341112768 373308314 /nfs/dbraw/zinc/30/83/14/373308314.db2.gz APPKDZSGLJYWAG-TZMCWYRMSA-N 2 0 282.432 1.205 10 0 CDAERP C[N@H+](CCNC(=O)[C@]1(C)CCC[NH2+]1)Cc1ccccc1 ZINC000386836074 373444595 /nfs/dbraw/zinc/44/45/95/373444595.db2.gz WUYULIKXVJXOKG-INIZCTEOSA-N 2 0 275.396 1.377 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]2CN(Cc3nc(C4CCC4)no3)C[C@H]21 ZINC000631824013 373709160 /nfs/dbraw/zinc/70/91/60/373709160.db2.gz SVKSHOJNYNNCLN-YNEHKIRRSA-N 2 0 276.384 1.896 10 0 CDAERP Cc1cc(C)c(C[NH+]2CCC(O)(C[NH3+])CC2)c(C)n1 ZINC000631828037 373718282 /nfs/dbraw/zinc/71/82/82/373718282.db2.gz CMDGGWPHIMIESK-UHFFFAOYSA-N 2 0 263.385 1.292 10 0 CDAERP N[C@H]1CCCCC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000631834575 373740069 /nfs/dbraw/zinc/74/00/69/373740069.db2.gz AOMQPAGRXDXDAU-HNNXBMFYSA-N 2 0 253.434 1.970 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CC(C)(C)[C@H]1CCCCO1 ZINC000643466653 373947283 /nfs/dbraw/zinc/94/72/83/373947283.db2.gz KNKBDMIVHZHLAH-ZIAGYGMSSA-N 2 0 272.433 1.925 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000621491037 374238577 /nfs/dbraw/zinc/23/85/77/374238577.db2.gz REGRUDIBKNPNCE-UHFFFAOYSA-N 2 0 296.374 1.503 10 0 CDAERP C[C@@H]1CCCCN1C(=O)CN1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631888012 374499750 /nfs/dbraw/zinc/49/97/50/374499750.db2.gz VUYAYGYFTULHAX-ILXRZTDVSA-N 2 0 279.428 1.461 10 0 CDAERP CC(C)N1CCC[C@H](N2CCC[C@@H]3C[NH2+]CC[C@H]32)C1=O ZINC000631887927 374500792 /nfs/dbraw/zinc/50/07/92/374500792.db2.gz RORFVEOCHYBAEP-KFWWJZLASA-N 2 0 279.428 1.460 10 0 CDAERP C[NH+](C)[C@H](CC(=O)NC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000416163969 375574089 /nfs/dbraw/zinc/57/40/89/375574089.db2.gz ZRMHZBFZERGTEV-JKSUJKDBSA-N 2 0 289.423 1.890 10 0 CDAERP CC[C@]1(C(=O)NCC2([NH3+])CCCCCC2)CCC[NH2+]1 ZINC000134366129 375629582 /nfs/dbraw/zinc/62/95/82/375629582.db2.gz KXFVMSLLERSWKW-OAHLLOKOSA-N 2 0 267.417 1.687 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000417001762 375711804 /nfs/dbraw/zinc/71/18/04/375711804.db2.gz FNNQTYLBYHOAQV-JHJVBQTASA-N 2 0 270.421 1.095 10 0 CDAERP CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)[C@H](C)[NH3+])c1ccco1 ZINC000417311709 375762760 /nfs/dbraw/zinc/76/27/60/375762760.db2.gz MJJZQOUEZIKUGR-RWMBFGLXSA-N 2 0 296.415 1.697 10 0 CDAERP CCC[C@@H](C(=O)N1CC[N@@H+]2CCC[C@H]2C1)[NH+](C)C ZINC000245693803 376136294 /nfs/dbraw/zinc/13/62/94/376136294.db2.gz PJUMAOVCIJUYCX-STQMWFEESA-N 2 0 253.390 1.023 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)C2([NH3+])CCCCC2)CC1 ZINC000638975599 376327850 /nfs/dbraw/zinc/32/78/50/376327850.db2.gz NNBHQUGZYQLXMR-UHFFFAOYSA-N 2 0 281.444 1.981 10 0 CDAERP CCC[C@H](C(=O)OCC)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420356388 376334900 /nfs/dbraw/zinc/33/49/00/376334900.db2.gz CSZKGKNHPBSTTO-HIFRSBDPSA-N 2 0 268.401 1.794 10 0 CDAERP CCC[NH+]1CCC([NH2+]CC[C@H](O)C(F)F)CC1 ZINC000631695298 376471297 /nfs/dbraw/zinc/47/12/97/376471297.db2.gz ITQJVXHPBLDXSB-NSHDSACASA-N 2 0 250.333 1.467 10 0 CDAERP C[C@@H]1CC2(C[N@@H+]1C[C@H]1CCc3ncnn31)CC[NH2+]CC2 ZINC000631829170 376667416 /nfs/dbraw/zinc/66/74/16/376667416.db2.gz JEFLMLNIDOHSRB-CHWSQXEVSA-N 2 0 275.400 1.229 10 0 CDAERP COCC[NH2+]C1CC[NH+](C[C@H]2CCO[C@H]2C)CC1 ZINC000631829295 376667882 /nfs/dbraw/zinc/66/78/82/376667882.db2.gz MQNLYVUVWNANPX-QWHCGFSZSA-N 2 0 256.390 1.112 10 0 CDAERP CCN(CC(F)(F)F)C(=O)CN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000631823824 376649126 /nfs/dbraw/zinc/64/91/26/376649126.db2.gz OPQMJTYZSRHUMZ-ZJUUUORDSA-N 2 0 281.322 1.066 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+]([C@@H]3CCN(C4CCC4)C3=O)C[C@@H]21 ZINC000631823471 376650682 /nfs/dbraw/zinc/65/06/82/376650682.db2.gz FPIIZPGREHBJRY-FAAHXZRKSA-N 2 0 277.412 1.199 10 0 CDAERP COc1c[nH+]ccc1N1CC[NH+](C[C@H](O)C(C)C)CC1 ZINC000433185081 248004427 /nfs/dbraw/zinc/00/44/27/248004427.db2.gz AEERSVWUJUABQC-AWEZNQCLSA-N 2 0 279.384 1.229 10 0 CDAERP C[C@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000631842702 376701083 /nfs/dbraw/zinc/70/10/83/376701083.db2.gz DSBKSLSECBLPHX-RYUDHWBXSA-N 2 0 252.333 1.731 10 0 CDAERP CCOC(=O)c1csc(CC[NH2+][C@H]2CN(C)C[C@H]2C)n1 ZINC000344787908 376854913 /nfs/dbraw/zinc/85/49/13/376854913.db2.gz DWZAXPTUCSPYGN-MNOVXSKESA-N 2 0 297.424 1.402 10 0 CDAERP CCN(C(=O)C[NH2+]C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000165945304 376855097 /nfs/dbraw/zinc/85/50/97/376855097.db2.gz NELZEPHUGAKZFR-GOEBONIOSA-N 2 0 289.423 1.890 10 0 CDAERP CC[NH+](CC)CCN(CCOC)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000167673925 284618274 /nfs/dbraw/zinc/61/82/74/284618274.db2.gz HDAKOUHZDDPWLL-GJZGRUSLSA-N 2 0 299.459 1.321 10 0 CDAERP O[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251101425 377559085 /nfs/dbraw/zinc/55/90/85/377559085.db2.gz JZIPSUSHOBLTSK-CBBWQLFWSA-N 2 0 252.402 1.754 10 0 CDAERP CC(C)[N@@H+]1CCCN(C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000334928976 377693456 /nfs/dbraw/zinc/69/34/56/377693456.db2.gz LOVULSYMQRFFHL-CQSZACIVSA-N 2 0 282.432 1.254 10 0 CDAERP C[N@H+](CCNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C1CCCC1 ZINC000417508132 377700469 /nfs/dbraw/zinc/70/04/69/377700469.db2.gz PASXCOSXFYOYCS-OKILXGFUSA-N 2 0 294.443 1.397 10 0 CDAERP CCC[C@H](C(=O)NC1CC[NH+](CCCOC)CC1)[NH+](C)C ZINC000161959889 377807100 /nfs/dbraw/zinc/80/71/00/377807100.db2.gz XANWNUJGTSSKOE-OAHLLOKOSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@H](CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)[N@H+](C)C1CC1 ZINC000417550782 377975428 /nfs/dbraw/zinc/97/54/28/377975428.db2.gz MGKFUZVSJZAANQ-CJNGLKHVSA-N 2 0 294.443 1.254 10 0 CDAERP C[C@@H]([NH2+]CC1CC[NH+](C[C@H](C)O)CC1)c1cccnc1 ZINC000069511730 378194131 /nfs/dbraw/zinc/19/41/31/378194131.db2.gz SGBKQWPGCPVJOH-UONOGXRCSA-N 2 0 277.412 1.825 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000165867753 378593015 /nfs/dbraw/zinc/59/30/15/378593015.db2.gz IVZDPKGKCQZTAZ-CQSZACIVSA-N 2 0 267.417 1.367 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[NH2+][C@@H](C(C)C)C2)CC[N@@H+]1C ZINC000633662455 378657167 /nfs/dbraw/zinc/65/71/67/378657167.db2.gz YACHZXNHKXSNAF-BFHYXJOUSA-N 2 0 267.417 1.173 10 0 CDAERP CCn1cncc1CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000417770468 378677604 /nfs/dbraw/zinc/67/76/04/378677604.db2.gz CAYHCEFPFGBPJC-QWHCGFSZSA-N 2 0 250.390 1.818 10 0 CDAERP C[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)C[C@@](C)(C(F)F)O1 ZINC000662334930 412903455 /nfs/dbraw/zinc/90/34/55/412903455.db2.gz DMOSGSSBJRBXJN-WZRBSPASSA-N 2 0 262.344 1.731 10 0 CDAERP CC[C@H]1C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)CCO1 ZINC000657572796 412904126 /nfs/dbraw/zinc/90/41/26/412904126.db2.gz GQCLOGBTNGLSLL-JYJNAYRXSA-N 2 0 285.476 1.806 10 0 CDAERP Cc1ncc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cn1 ZINC000446886504 250323356 /nfs/dbraw/zinc/32/33/56/250323356.db2.gz ZMBGKXPOJQAOMK-UHFFFAOYSA-N 2 0 260.385 1.749 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000662347473 412913310 /nfs/dbraw/zinc/91/33/10/412913310.db2.gz GBBALAHNGUQTBS-RYUDHWBXSA-N 2 0 299.440 1.219 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N(C)CCC[NH+]1CCCC1 ZINC000344280120 379403904 /nfs/dbraw/zinc/40/39/04/379403904.db2.gz IEVGXHKWAATNQH-OAHLLOKOSA-N 2 0 298.475 1.844 10 0 CDAERP COCCN1CC[C@@H]([NH2+]CCc2cnccc2C)C1 ZINC000657588369 412917583 /nfs/dbraw/zinc/91/75/83/412917583.db2.gz HWAJZDWNJQWXFW-OAHLLOKOSA-N 2 0 263.385 1.243 10 0 CDAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCOC3)cc2)C1 ZINC000657595279 412921421 /nfs/dbraw/zinc/92/14/21/412921421.db2.gz NWKYHDNXSWTFFN-HOTGVXAUSA-N 2 0 276.380 1.132 10 0 CDAERP C[C@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)C(C)(C)C[NH+](C)C ZINC000655919571 412928531 /nfs/dbraw/zinc/92/85/31/412928531.db2.gz HRZNJFDHDHIAJM-DTWKUNHWSA-N 2 0 298.353 1.152 10 0 CDAERP Cc1nccn1C[C@@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000178982339 140011280 /nfs/dbraw/zinc/01/12/80/140011280.db2.gz GLNSPBWQWWQJFG-HNNXBMFYSA-N 2 0 262.401 1.656 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cccc2c1C[NH2+]C2 ZINC000662387296 412947818 /nfs/dbraw/zinc/94/78/18/412947818.db2.gz KHBKGSGXUWVGEX-ZDUSSCGKSA-N 2 0 287.407 1.894 10 0 CDAERP CCN(CCC[NH+]1CCCC1)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000418596309 284892918 /nfs/dbraw/zinc/89/29/18/284892918.db2.gz OSQNVQUXFJCAKS-CABCVRRESA-N 2 0 296.459 1.502 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655932558 412948810 /nfs/dbraw/zinc/94/88/10/412948810.db2.gz XKEWDCVLSKMZIN-VHSXEESVSA-N 2 0 296.337 1.002 10 0 CDAERP CCN(C(=O)NCC1CC[NH+](CC)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000663912952 412951032 /nfs/dbraw/zinc/95/10/32/412951032.db2.gz UDONFRNQZPQIIR-OAHLLOKOSA-N 2 0 296.459 1.454 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)NCCC1CC[NH2+]CC1 ZINC000653349253 413022077 /nfs/dbraw/zinc/02/20/77/413022077.db2.gz HJELZASZBVYIBD-OAHLLOKOSA-N 2 0 281.444 1.757 10 0 CDAERP OCC[NH2+]CCC[NH2+]Cc1ccccc1C(F)(F)F ZINC000013733070 285261135 /nfs/dbraw/zinc/26/11/35/285261135.db2.gz GGFCHSYKZFPQIE-UHFFFAOYSA-N 2 0 276.302 1.767 10 0 CDAERP CCOCCC[N@H+](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001663218772 1172656962 /nfs/dbraw/zinc/65/69/62/1172656962.db2.gz RZTZPMJSJFZYES-UHFFFAOYSA-N 2 0 297.443 1.089 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)N(CC[NH+](C)C)C(C)C)C1 ZINC000157931023 285265093 /nfs/dbraw/zinc/26/50/93/285265093.db2.gz WGHURGODYBSGPX-AWEZNQCLSA-N 2 0 284.448 1.452 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H](C(N)=O)c2ccccc2)C1 ZINC000656127142 413041130 /nfs/dbraw/zinc/04/11/30/413041130.db2.gz PJKGGHHFXTZFNF-KWCYVHTRSA-N 2 0 261.369 1.143 10 0 CDAERP C[C@H](C[NH3+])N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398163576 390244310 /nfs/dbraw/zinc/24/43/10/390244310.db2.gz GJFGAFBFOMUGNW-SQWLQELKSA-N 2 0 261.413 1.834 10 0 CDAERP CC[N@@H+]1CC[C@H]2OCCN(c3cc(C)nc(C)n3)[C@H]2C1 ZINC000292705265 390646397 /nfs/dbraw/zinc/64/63/97/390646397.db2.gz GJOARDLPIJPHHQ-UONOGXRCSA-N 2 0 276.384 1.393 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@@H](C)[NH3+])C[C@H]1C ZINC000418700241 285389964 /nfs/dbraw/zinc/38/99/64/285389964.db2.gz FKWJWASRTBUQMY-LPWJVIDDSA-N 2 0 270.421 1.236 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C[NH3+])C2CC2)[C@H](C)C1 ZINC000418448980 285390620 /nfs/dbraw/zinc/39/06/20/285390620.db2.gz CUMAXQJBIXMJBU-BNOWGMLFSA-N 2 0 282.432 1.095 10 0 CDAERP COc1ncncc1CNCC1(C[NH+](C)C)CCCC1 ZINC000647202214 390860065 /nfs/dbraw/zinc/86/00/65/390860065.db2.gz QQQBAUMHMFELRH-UHFFFAOYSA-N 2 0 278.400 1.697 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@H]2CCC[NH+](C)C2)C1 ZINC000520605541 391014998 /nfs/dbraw/zinc/01/49/98/391014998.db2.gz BGPMFLSKKBVVFE-KGLIPLIRSA-N 2 0 267.417 1.128 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647479925 390966818 /nfs/dbraw/zinc/96/68/18/390966818.db2.gz YESUILXETWOXHM-KKUMJFAQSA-N 2 0 253.434 1.824 10 0 CDAERP CNC(=O)c1cccc(CC[NH2+]C[C@@H]([NH3+])CC(C)C)c1 ZINC000415080676 390997502 /nfs/dbraw/zinc/99/75/02/390997502.db2.gz JRPITYXKCHMHSO-HNNXBMFYSA-N 2 0 277.412 1.552 10 0 CDAERP C[C@H]1C[NH2+]C[C@H](NCc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000647550767 390999292 /nfs/dbraw/zinc/99/92/92/390999292.db2.gz GMWZADZRQAGCJW-IUODEOHRSA-N 2 0 279.403 1.975 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)CCN(C)c1cc[nH+]cc1 ZINC000526067271 391001083 /nfs/dbraw/zinc/00/10/83/391001083.db2.gz PNBOMJKCBQDBIZ-UHFFFAOYSA-N 2 0 292.427 1.708 10 0 CDAERP CC(C)[C@H](O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000367922666 391007334 /nfs/dbraw/zinc/00/73/34/391007334.db2.gz CXVRFAMXGVMGOW-KBUPBQIOSA-N 2 0 270.417 1.187 10 0 CDAERP CC(C)OC[C@H](C)[NH2+]CCCC[NH+]1CCOCC1 ZINC000337348091 391109170 /nfs/dbraw/zinc/10/91/70/391109170.db2.gz YJRCFNWWECCUQX-AWEZNQCLSA-N 2 0 258.406 1.502 10 0 CDAERP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCCC23CC3)CC1 ZINC000657832717 413048771 /nfs/dbraw/zinc/04/87/71/413048771.db2.gz MKHZCZIEUVTAJH-AWEZNQCLSA-N 2 0 265.445 1.935 10 0 CDAERP CN(C(=O)NCCC[NH2+]C1CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000418289627 391167692 /nfs/dbraw/zinc/16/76/92/391167692.db2.gz OXYXRPRPISOQBJ-CQSZACIVSA-N 2 0 280.416 1.007 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000662472667 413049031 /nfs/dbraw/zinc/04/90/31/413049031.db2.gz CTJZDRHWJCJYCP-HNNXBMFYSA-N 2 0 297.443 1.073 10 0 CDAERP C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000647902718 391200371 /nfs/dbraw/zinc/20/03/71/391200371.db2.gz BMZRUOLKRFEEHO-MWDXBVQZSA-N 2 0 293.455 1.314 10 0 CDAERP C[C@@H]1CC[NH2+][C@H](C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)C1 ZINC000648104570 391338269 /nfs/dbraw/zinc/33/82/69/391338269.db2.gz DTSCWXLIFXEEMA-KBXIAJHMSA-N 2 0 279.428 1.365 10 0 CDAERP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000245978803 391366148 /nfs/dbraw/zinc/36/61/48/391366148.db2.gz PAFREQSICOCIHJ-QCEMKRCNSA-N 2 0 289.423 1.921 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000418354512 391373136 /nfs/dbraw/zinc/37/31/36/391373136.db2.gz WLMNBBIYTNQXOY-ZNMIVQPWSA-N 2 0 296.459 1.358 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000418062049 391375244 /nfs/dbraw/zinc/37/52/44/391375244.db2.gz FURLRNZLKBZFMK-ZIAGYGMSSA-N 2 0 296.459 1.406 10 0 CDAERP CC(C)[NH2+]CCN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000193441513 391460973 /nfs/dbraw/zinc/46/09/73/391460973.db2.gz YXWHCQIDCCIFKA-MRXNPFEDSA-N 2 0 282.476 1.086 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000417852282 391509146 /nfs/dbraw/zinc/50/91/46/391509146.db2.gz NYBNVFWEBNLNTR-MGPQQGTHSA-N 2 0 281.444 1.646 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417806198 391493886 /nfs/dbraw/zinc/49/38/86/391493886.db2.gz APFJXEBACHCCRV-YIONKMFJSA-N 2 0 296.459 1.643 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NC1CCC([NH3+])CC1 ZINC000417536139 391643853 /nfs/dbraw/zinc/64/38/53/391643853.db2.gz QCCUYHRZUBZIFX-HESLUPGFSA-N 2 0 296.459 1.818 10 0 CDAERP CC1CCC(C[NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000058864472 391670988 /nfs/dbraw/zinc/67/09/88/391670988.db2.gz VKKQGNYIANNCIF-NRXISQOPSA-N 2 0 254.418 1.859 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000417587044 391684557 /nfs/dbraw/zinc/68/45/57/391684557.db2.gz RRMDKOPQZMTCDA-BFHYXJOUSA-N 2 0 282.432 1.158 10 0 CDAERP C[C@@H]1CN(Cc2cc(C(N)=O)cs2)C[C@@]1(C)C[NH3+] ZINC000415056491 391738122 /nfs/dbraw/zinc/73/81/22/391738122.db2.gz QSDMHCLSOUXGKJ-NOZJJQNGSA-N 2 0 267.398 1.264 10 0 CDAERP C[C@@H](NC(=O)N[C@@H](C)[C@H](C)[NH3+])[C@H](c1ccccc1)[NH+](C)C ZINC000418183227 391789254 /nfs/dbraw/zinc/78/92/54/391789254.db2.gz NZCOCRNQWLNFDA-RMRHIDDWSA-N 2 0 292.427 1.713 10 0 CDAERP COCC[N@@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246986180 391894297 /nfs/dbraw/zinc/89/42/97/391894297.db2.gz KJMNTEFLZBSVPR-RRFJBIMHSA-N 2 0 269.433 1.170 10 0 CDAERP CN(C(=O)CN1CCC[C@]2(CC[NH2+]C2)C1)C1CCCCC1 ZINC000334979390 391990845 /nfs/dbraw/zinc/99/08/45/391990845.db2.gz GGHWFISZIMJFPH-QGZVFWFLSA-N 2 0 293.455 1.853 10 0 CDAERP Cc1ncc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)s1 ZINC000069901468 392005601 /nfs/dbraw/zinc/00/56/01/392005601.db2.gz VULBFAVILJKSNK-GFCCVEGCSA-N 2 0 297.468 1.976 10 0 CDAERP CC(C)CC[C@H](O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646106734 392017089 /nfs/dbraw/zinc/01/70/89/392017089.db2.gz OWWGJADDYGCZGL-HNNXBMFYSA-N 2 0 284.444 1.580 10 0 CDAERP C[NH+]1CCC2(CC1)C[N@H+](C[C@H](O)C1CCCCC1)CCO2 ZINC000646106369 392013900 /nfs/dbraw/zinc/01/39/00/392013900.db2.gz WIEMOAFNXPMHPK-INIZCTEOSA-N 2 0 296.455 1.724 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H](CO)Cc1ccc(F)c(F)c1 ZINC000423072785 392316147 /nfs/dbraw/zinc/31/61/47/392316147.db2.gz JVQAHJZMVJWJNN-WWGRRREGSA-N 2 0 298.377 1.833 10 0 CDAERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@@H](O)C(C)C)C1 ZINC000432825250 392275051 /nfs/dbraw/zinc/27/50/51/392275051.db2.gz WAIQBHXKQQAEBC-HUUCEWRRSA-N 2 0 272.433 1.436 10 0 CDAERP Cc1cncn1CC(=O)N1CCN(c2cnccc2C)CC1 ZINC000529260377 392292443 /nfs/dbraw/zinc/29/24/43/392292443.db2.gz KHDPGPRIRIHUJK-UHFFFAOYSA-N 2 0 299.378 1.244 10 0 CDAERP C[C@H]([NH2+]CCC[NH3+])c1cccc(OCC[NH+](C)C)c1 ZINC000423185234 392425645 /nfs/dbraw/zinc/42/56/45/392425645.db2.gz UUOAFBCKFQTBMF-ZDUSSCGKSA-N 3 0 265.401 1.626 10 0 CDAERP CCN(C(=O)Cn1cncc1C)C1CC[NH+](C)CC1 ZINC000529449706 392425692 /nfs/dbraw/zinc/42/56/92/392425692.db2.gz CDPCTGRIIWTEJQ-UHFFFAOYSA-N 2 0 264.373 1.134 10 0 CDAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000645903584 392517091 /nfs/dbraw/zinc/51/70/91/392517091.db2.gz HRPKYSKMSDBUPD-SOUVJXGZSA-N 2 0 296.459 1.310 10 0 CDAERP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000573935738 392471786 /nfs/dbraw/zinc/47/17/86/392471786.db2.gz OIZKUWLVWNCXHE-ILXRZTDVSA-N 2 0 296.459 1.404 10 0 CDAERP C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000645889374 392472077 /nfs/dbraw/zinc/47/20/77/392472077.db2.gz GYMUAHABXMBEKC-GWCFXTLKSA-N 2 0 271.324 1.204 10 0 CDAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000645889678 392474090 /nfs/dbraw/zinc/47/40/90/392474090.db2.gz WSHVFIRGQMRZKS-ZFWWWQNUSA-N 2 0 283.335 1.205 10 0 CDAERP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000423294317 392491904 /nfs/dbraw/zinc/49/19/04/392491904.db2.gz UAGKHNUADBEQDC-KCPJHIHWSA-N 2 0 291.395 1.090 10 0 CDAERP C[C@@H](C[NH3+])N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000423360980 392542054 /nfs/dbraw/zinc/54/20/54/392542054.db2.gz GJFGAFBFOMUGNW-OFQRWUPVSA-N 2 0 261.413 1.834 10 0 CDAERP C[C@@]1([NH3+])CCCC[C@H]1C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000574049979 392501986 /nfs/dbraw/zinc/50/19/86/392501986.db2.gz UOXKIBZSOCQOGM-GOPBEWJXSA-N 2 0 279.428 1.624 10 0 CDAERP [NH3+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000646649429 392615439 /nfs/dbraw/zinc/61/54/39/392615439.db2.gz FGMACXYAMUTSCT-BFHYXJOUSA-N 2 0 267.417 1.481 10 0 CDAERP C[C@H](F)CCNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000458592075 392613399 /nfs/dbraw/zinc/61/33/99/392613399.db2.gz LXFMIAKOHOWROO-LBPRGKRZSA-N 2 0 288.411 1.060 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)NC(C)(C)C[NH+](C)C)CC1 ZINC000458454911 392547411 /nfs/dbraw/zinc/54/74/11/392547411.db2.gz KLMNFEILHVIYNY-UHFFFAOYSA-N 2 0 298.475 1.748 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000646670338 392641323 /nfs/dbraw/zinc/64/13/23/392641323.db2.gz XGTRLYKTRADCOO-QWHCGFSZSA-N 2 0 253.390 1.058 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)c2coc(C[NH3+])c2)cc1 ZINC000646806044 392836963 /nfs/dbraw/zinc/83/69/63/392836963.db2.gz XCALKHKIZUOFMG-SNVBAGLBSA-N 2 0 273.336 1.688 10 0 CDAERP CC[NH+]1CCC(CC[NH2+][C@H]2CCC(=O)NC2(C)C)CC1 ZINC000495071234 393170229 /nfs/dbraw/zinc/17/02/29/393170229.db2.gz OZKPQQBLLFIDHQ-AWEZNQCLSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H](C[NH2+][C@H]1CCC(=O)NC1(C)C)C[NH+]1CCCC1 ZINC000494926145 393133467 /nfs/dbraw/zinc/13/34/67/393133467.db2.gz WLJVRRVCJJJFAU-STQMWFEESA-N 2 0 267.417 1.365 10 0 CDAERP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cn2cccnc2n1 ZINC000459569866 393236354 /nfs/dbraw/zinc/23/63/54/393236354.db2.gz LBUXPEJSNUIIPG-UHFFFAOYSA-N 2 0 275.400 1.939 10 0 CDAERP COc1cc(C[NH2+][C@@H]2CCCN(CCO)C2)ccc1Cl ZINC000649290886 393370777 /nfs/dbraw/zinc/37/07/77/393370777.db2.gz XTPVPFFXPZTMIJ-CYBMUJFWSA-N 2 0 298.814 1.895 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@H](C[NH+](C)C)C2)C1 ZINC000187800049 140083288 /nfs/dbraw/zinc/08/32/88/140083288.db2.gz XLBWWHPAFVREKO-KGLIPLIRSA-N 2 0 282.432 1.064 10 0 CDAERP O=C([C@@H]1CCCn2ccnc21)N1CC[NH+]2CCC1CC2 ZINC000188643407 140098759 /nfs/dbraw/zinc/09/87/59/140098759.db2.gz OIMMLKBMOKQWAB-CYBMUJFWSA-N 2 0 274.368 1.067 10 0 CDAERP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000252895491 140329111 /nfs/dbraw/zinc/32/91/11/140329111.db2.gz ZCJUXTCSULAJGY-BXUZGUMPSA-N 2 0 261.369 1.215 10 0 CDAERP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000263250234 140461446 /nfs/dbraw/zinc/46/14/46/140461446.db2.gz PVHHQNUUXWMSCA-SCDSUCTJSA-N 2 0 268.788 1.441 10 0 CDAERP O[C@@H](CC[NH2+]C1CCN([C@H]2CCOC2)CC1)C(F)(F)F ZINC000656262155 413145665 /nfs/dbraw/zinc/14/56/65/413145665.db2.gz PKWPWWXIDZMDPZ-RYUDHWBXSA-N 2 0 296.333 1.143 10 0 CDAERP [NH3+]CC1(CCNC(=O)c2cc3c(s2)CC[NH2+]C3)CC1 ZINC000662582052 413149628 /nfs/dbraw/zinc/14/96/28/413149628.db2.gz KQQXXMYRHQBSAZ-UHFFFAOYSA-N 2 0 279.409 1.253 10 0 CDAERP COC1(C[C@@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)CCC1 ZINC000429520782 292123406 /nfs/dbraw/zinc/12/34/06/292123406.db2.gz YDBZZPAFQPTVHV-OAHLLOKOSA-N 2 0 297.487 1.950 10 0 CDAERP C(C[N@@H+]1CCC[C@H]2COCC[C@@H]21)[C@@H]1CCC[NH2+]C1 ZINC000420303815 397697903 /nfs/dbraw/zinc/69/79/03/397697903.db2.gz NPBMSIGAFYJQCQ-KKUMJFAQSA-N 2 0 252.402 1.877 10 0 CDAERP CC[C@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)C1CCCC1 ZINC000584108871 397849239 /nfs/dbraw/zinc/84/92/39/397849239.db2.gz XWRJREKYEIRBTQ-HOTGVXAUSA-N 2 0 283.460 1.153 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1CCC[C@H]1C[NH3+])Cc1ccccc1 ZINC000386735649 398079080 /nfs/dbraw/zinc/07/90/80/398079080.db2.gz CECQALDOHBDXFP-JKSUJKDBSA-N 2 0 289.423 1.610 10 0 CDAERP CN(CC(C)(C)[NH3+])C(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000662606087 413179822 /nfs/dbraw/zinc/17/98/22/413179822.db2.gz YJLUWRDYMCHOBB-NEPJUHHUSA-N 2 0 255.406 1.480 10 0 CDAERP OC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)C1CCC1 ZINC000658087624 413188833 /nfs/dbraw/zinc/18/88/33/413188833.db2.gz LIKSMIFZHRLRJD-OAHLLOKOSA-N 2 0 252.402 1.611 10 0 CDAERP COC[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)C1CCOCC1 ZINC000658098139 413196987 /nfs/dbraw/zinc/19/69/87/413196987.db2.gz XWVIMGNCLJDYGJ-CZUORRHYSA-N 2 0 284.444 1.748 10 0 CDAERP Cc1c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cnn1C ZINC000093650356 147062105 /nfs/dbraw/zinc/06/21/05/147062105.db2.gz CPBQGHMTKGSPJW-GOOCMWNKSA-N 2 0 262.401 1.833 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1ccc(=O)[nH]n1 ZINC000658107195 413206091 /nfs/dbraw/zinc/20/60/91/413206091.db2.gz KXFIEHVIXJCNOA-STQMWFEESA-N 2 0 295.431 1.105 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000658106268 413207924 /nfs/dbraw/zinc/20/79/24/413207924.db2.gz HNUDOCGMSOEHMW-HRCADAONSA-N 2 0 285.476 1.663 10 0 CDAERP CO[C@H](C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)C1CC1 ZINC000425402511 286001217 /nfs/dbraw/zinc/00/12/17/286001217.db2.gz IKGVTWFJXPWXNF-DLBZAZTESA-N 2 0 295.471 1.513 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000193320505 148621376 /nfs/dbraw/zinc/62/13/76/148621376.db2.gz VGEMIMBTCPDZEL-CQSZACIVSA-N 2 0 297.443 1.217 10 0 CDAERP C[NH+]1CCC(CCNC(=O)N2CC[NH+]3CCC2CC3)CC1 ZINC000335934089 151126294 /nfs/dbraw/zinc/12/62/94/151126294.db2.gz BJJBHGZLHWPDOX-UHFFFAOYSA-N 2 0 294.443 1.208 10 0 CDAERP C[C@@H]1C[N@H+](C)C[C@@H]1NCCC[NH+]1CCc2ccccc2C1 ZINC000343192644 152063341 /nfs/dbraw/zinc/06/33/41/152063341.db2.gz NRBLDFRBEUPONY-QAPCUYQASA-N 2 0 287.451 1.975 10 0 CDAERP C[C@H]1CN(C)C[C@H]1[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000343269291 152093436 /nfs/dbraw/zinc/09/34/36/152093436.db2.gz AXCSCOMQYDEWJN-WMLDXEAASA-N 2 0 284.407 1.971 10 0 CDAERP CN(C)C(=O)CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000343579683 152231182 /nfs/dbraw/zinc/23/11/82/152231182.db2.gz MJADXHWIPBDRHI-UHFFFAOYSA-N 2 0 267.417 1.273 10 0 CDAERP CN(CCC[N@H+](C)CC[C@@H]1CCCCO1)CC[NH+](C)C ZINC000344031092 152395118 /nfs/dbraw/zinc/39/51/18/152395118.db2.gz PDJJCNLVFSYTPT-INIZCTEOSA-N 2 0 285.476 1.761 10 0 CDAERP CN(CC1C[NH+](C)C1)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000660591013 413274077 /nfs/dbraw/zinc/27/40/77/413274077.db2.gz DLDSUCWKCLHHCJ-UHFFFAOYSA-N 2 0 282.432 1.064 10 0 CDAERP C[C@@H]1C[C@@H](C[NH+]2CCC(C[NH+]3CCOCC3)CC2)CCO1 ZINC000352728992 155395847 /nfs/dbraw/zinc/39/58/47/155395847.db2.gz UMCCDLOHPJRUKT-WBVHZDCISA-N 2 0 296.455 1.846 10 0 CDAERP c1n[nH]cc1CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000347742624 153648333 /nfs/dbraw/zinc/64/83/33/153648333.db2.gz ZRWIBVZRVATTBO-UHFFFAOYSA-N 2 0 262.401 1.760 10 0 CDAERP CCC[N@H+](C)CC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000662686982 413309914 /nfs/dbraw/zinc/30/99/14/413309914.db2.gz SOLILPUHGKVVDB-HNNXBMFYSA-N 2 0 291.395 1.628 10 0 CDAERP CC(C)([NH3+])CC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000662685289 413310493 /nfs/dbraw/zinc/31/04/93/413310493.db2.gz AQPDHUDHCQGKFX-ZDUSSCGKSA-N 2 0 277.368 1.413 10 0 CDAERP C[C@H]([NH2+][C@@H]1C[C@@H](O)C12CCC2)C1CC[NH+](C)CC1 ZINC000658252682 413317634 /nfs/dbraw/zinc/31/76/34/413317634.db2.gz JVWRBPJROUVABB-IACUBPJLSA-N 2 0 252.402 1.610 10 0 CDAERP C[NH+]1CCCC[C@@H]1CCC(=O)NCC1=CC[N@H+](C)CC1 ZINC000355765704 157223634 /nfs/dbraw/zinc/22/36/34/157223634.db2.gz JRZNRWHYFGRKTK-OAHLLOKOSA-N 2 0 279.428 1.629 10 0 CDAERP C[N@@H+]1C[C@@H](CNC2=[NH+]CCCN2)[C@H](c2ccccc2)C1 ZINC000656508431 413361896 /nfs/dbraw/zinc/36/18/96/413361896.db2.gz CTIQCYSLVIXMTC-CABCVRRESA-N 2 0 272.396 1.271 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000359225970 158170559 /nfs/dbraw/zinc/17/05/59/158170559.db2.gz MOLCGTXRSUCEHE-CHWSQXEVSA-N 2 0 282.432 1.253 10 0 CDAERP COC(=O)[C@@H](C1CC1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000359608255 158309175 /nfs/dbraw/zinc/30/91/75/158309175.db2.gz IQOPNFIHPGOTIO-CQSZACIVSA-N 2 0 268.401 1.602 10 0 CDAERP [NH3+]C1(CC(=O)NCC2([NH+]3CCCCC3)CCOCC2)CC1 ZINC000662732728 413399515 /nfs/dbraw/zinc/39/95/15/413399515.db2.gz ODUMXUDAWYVEJE-UHFFFAOYSA-N 2 0 295.427 1.019 10 0 CDAERP Cc1cccnc1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000404944293 413431820 /nfs/dbraw/zinc/43/18/20/413431820.db2.gz OKTCZTPHUFJJLA-RRFJBIMHSA-N 2 0 259.397 1.910 10 0 CDAERP O=C(N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)C1([NH2+]C2CC2)CCC1 ZINC000662759245 413444178 /nfs/dbraw/zinc/44/41/78/413444178.db2.gz BPCBGJKOPIGXJR-HIFRSBDPSA-N 2 0 291.439 1.652 10 0 CDAERP CC1(C)CC[NH2+][C@@H]1C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000662760654 413449883 /nfs/dbraw/zinc/44/98/83/413449883.db2.gz HXCJHRYCEJYWER-HZSPNIEDSA-N 2 0 279.428 1.365 10 0 CDAERP C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)C1C[NH2+]C1 ZINC000422761656 287051533 /nfs/dbraw/zinc/05/15/33/287051533.db2.gz LZSQPKATWUJKGZ-WDEREUQCSA-N 2 0 262.353 1.716 10 0 CDAERP [NH3+]Cc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000022151424 171358541 /nfs/dbraw/zinc/35/85/41/171358541.db2.gz NBMPVWIDUKXKTA-UHFFFAOYSA-N 2 0 261.369 1.960 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000653214498 412142079 /nfs/dbraw/zinc/14/20/79/412142079.db2.gz XVEHUXATOJAEGZ-ZIAGYGMSSA-N 2 0 289.423 1.895 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653168861 412106633 /nfs/dbraw/zinc/10/66/33/412106633.db2.gz SDWFMTAQXHBLIQ-GHMZBOCLSA-N 2 0 295.349 1.185 10 0 CDAERP [NH3+][C@H]1C[C@H](C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)C1 ZINC000662777001 413481576 /nfs/dbraw/zinc/48/15/76/413481576.db2.gz QRWVQWASQLPLAB-MGCOHNPYSA-N 2 0 263.316 1.147 10 0 CDAERP CC(=O)N1CCC([NH2+]Cc2ccccc2C[NH+](C)C)CC1 ZINC000035015643 171932969 /nfs/dbraw/zinc/93/29/69/171932969.db2.gz BFUTXSQRRBJYPS-UHFFFAOYSA-N 2 0 289.423 1.849 10 0 CDAERP CC1(C)CC[NH2+][C@H]1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000662792002 413508253 /nfs/dbraw/zinc/50/82/53/413508253.db2.gz CRYRVYBOUJEFOJ-RUXDESIVSA-N 2 0 279.428 1.508 10 0 CDAERP C[N@H+](CCOc1ccccc1C[NH3+])[C@@H]1CCSC1 ZINC000035725183 172379849 /nfs/dbraw/zinc/37/98/49/172379849.db2.gz ZMHXPXCDOWATIH-CYBMUJFWSA-N 2 0 266.410 1.961 10 0 CDAERP C[N@H+](CCOc1ccc(C[NH3+])cc1)[C@@H]1CCSC1 ZINC000035725168 172380014 /nfs/dbraw/zinc/38/00/14/172380014.db2.gz INHGFXGKIHKYCU-CYBMUJFWSA-N 2 0 266.410 1.961 10 0 CDAERP CC(C)[NH+](CCCNC(=O)N(C)CC1C[NH+](C)C1)C(C)C ZINC000660865110 413597311 /nfs/dbraw/zinc/59/73/11/413597311.db2.gz ULVZJMYPCFUMES-UHFFFAOYSA-N 2 0 298.475 1.698 10 0 CDAERP Cc1ccc([C@@H]([NH3+])C(=O)N[C@H](C)c2nccn2C)cc1 ZINC000662932729 413719693 /nfs/dbraw/zinc/71/96/93/413719693.db2.gz DTVSVRDOWDCMKF-DGCLKSJQSA-N 2 0 272.352 1.606 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N(C)CCCC[NH+](C)C)C1 ZINC000654815333 413732092 /nfs/dbraw/zinc/73/20/92/413732092.db2.gz PQTMLQRYFIBWMD-ZDUSSCGKSA-N 2 0 255.406 1.128 10 0 CDAERP CCN(C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2C)[C@@H]1CC[N@H+](C)C1 ZINC000665045103 413808289 /nfs/dbraw/zinc/80/82/89/413808289.db2.gz UIWYWDRASXGYJJ-JALIKCBVSA-N 2 0 294.443 1.347 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000659442587 413824788 /nfs/dbraw/zinc/82/47/88/413824788.db2.gz PGFCUICXPKNEHM-QLFBSQMISA-N 2 0 298.475 1.779 10 0 CDAERP [NH3+]C/C=C/CNC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659543477 413947538 /nfs/dbraw/zinc/94/75/38/413947538.db2.gz IPGDWUSCWAWGSF-MUBLQREKSA-N 2 0 280.416 1.208 10 0 CDAERP CN(C)c1ccnc(NC(=O)CN2CC(C)(C)C2)c1 ZINC000654996375 413890256 /nfs/dbraw/zinc/89/02/56/413890256.db2.gz RQUPOKCMLUKLQN-UHFFFAOYSA-N 2 0 262.357 1.428 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659548825 413954526 /nfs/dbraw/zinc/95/45/26/413954526.db2.gz KENVZNZJWRCWAK-AYRXBEOTSA-N 2 0 290.411 1.167 10 0 CDAERP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCc1noc2ccccc12 ZINC000665232421 413957552 /nfs/dbraw/zinc/95/75/52/413957552.db2.gz MNILRADPDYZAQY-YUTCNCBUSA-N 2 0 289.379 1.712 10 0 CDAERP C[C@H](COc1c(F)cccc1F)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000665261391 413989287 /nfs/dbraw/zinc/98/92/87/413989287.db2.gz BBELUGXXMDAMOQ-NXEZZACHSA-N 2 0 270.323 1.930 10 0 CDAERP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1cccc(-n2cnnn2)c1 ZINC000665280345 414020871 /nfs/dbraw/zinc/02/08/71/414020871.db2.gz ZHSQLGQPLWUUEB-IUODEOHRSA-N 2 0 288.399 1.686 10 0 CDAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659623005 414034996 /nfs/dbraw/zinc/03/49/96/414034996.db2.gz ZCVZXCMPAHSLLP-QLFBSQMISA-N 2 0 296.459 1.628 10 0 CDAERP CC1CC[NH+](CCC[NH2+]C2CCN(C(N)=O)CC2)CC1 ZINC000037233719 173053427 /nfs/dbraw/zinc/05/34/27/173053427.db2.gz OBBJMVUOWOHAJC-UHFFFAOYSA-N 2 0 282.432 1.241 10 0 CDAERP CC[N@H+](C[C@@H]1COC2(CCCC2)O1)C1CC[NH2+]CC1 ZINC000037538046 173257495 /nfs/dbraw/zinc/25/74/95/173257495.db2.gz LQMSCBFUFHSNQP-CQSZACIVSA-N 2 0 268.401 1.746 10 0 CDAERP CC[C@@H]1C[C@@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)CO1 ZINC000657306359 414148395 /nfs/dbraw/zinc/14/83/95/414148395.db2.gz VWFRJROPVRKVOF-HUUCEWRRSA-N 2 0 269.433 1.170 10 0 CDAERP C[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655803292 414194146 /nfs/dbraw/zinc/19/41/46/414194146.db2.gz XQLADPAKJNSODJ-UHDSXZAQSA-N 2 0 295.471 1.701 10 0 CDAERP COC[C@@H](C[N@H+](C)C1CC[NH+](C(C)C)CC1)OC ZINC000659865949 414194566 /nfs/dbraw/zinc/19/45/66/414194566.db2.gz DAHKBCKLOJZFHT-CQSZACIVSA-N 2 0 258.406 1.452 10 0 CDAERP C[C@@H]([NH2+]C[C@H](C)N1C[C@@H](C)O[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000655802954 414194433 /nfs/dbraw/zinc/19/44/33/414194433.db2.gz JIKJFFAQXKRING-CAOSSQGBSA-N 2 0 297.487 1.804 10 0 CDAERP CC[C@@H]1C[C@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)CO1 ZINC000657348023 414211517 /nfs/dbraw/zinc/21/15/17/414211517.db2.gz ITDYJFXNSPCMJY-JKSUJKDBSA-N 2 0 283.460 1.417 10 0 CDAERP CN(CCC[NH+](C)C)CCNC(=O)NCCc1ccco1 ZINC000663456500 414266759 /nfs/dbraw/zinc/26/67/59/414266759.db2.gz JFKIVMXIBGPBIN-UHFFFAOYSA-N 2 0 296.415 1.005 10 0 CDAERP Cc1nn2c(C[NH2+]CC[C@@H]([NH3+])C(C)C)c(C)nc2s1 ZINC000663498288 414297164 /nfs/dbraw/zinc/29/71/64/414297164.db2.gz AHNWLKFLYBMIBY-LLVKDONJSA-N 2 0 281.429 1.871 10 0 CDAERP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](OC)[C@@H]2CCOC2)C1 ZINC000659976195 414312505 /nfs/dbraw/zinc/31/25/05/414312505.db2.gz REXRPJDNJWMQAN-ARFHVFGLSA-N 2 0 284.444 1.702 10 0 CDAERP CC[C@@H]1C[C@H]([NH2+][C@@H](C)CCN2CC[NH+](C)CC2)CO1 ZINC000657438905 414330410 /nfs/dbraw/zinc/33/04/10/414330410.db2.gz QOUGEGCJSZHSBA-SOUVJXGZSA-N 2 0 269.433 1.170 10 0 CDAERP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](C(=O)NC(C)C)C1 ZINC000662119607 414519572 /nfs/dbraw/zinc/51/95/72/414519572.db2.gz ZCCHCRFGBLHXGB-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H](c1cccc(O)c1)[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662257763 414591570 /nfs/dbraw/zinc/59/15/70/414591570.db2.gz PSOMLUGGIBSGCK-SWLSCSKDSA-N 2 0 276.380 1.906 10 0 CDAERP O=C(CC1CC[NH2+]CC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000038075857 174086626 /nfs/dbraw/zinc/08/66/26/174086626.db2.gz DNKQDHHZVBTCIN-AWEZNQCLSA-N 2 0 265.401 1.073 10 0 CDAERP Cn1cc([C@H](C[NH3+])N2CCC([NH+]3CCCCC3)CC2)cn1 ZINC000040693803 174377707 /nfs/dbraw/zinc/37/77/07/174377707.db2.gz PYDHLSMUPJVAEB-INIZCTEOSA-N 2 0 291.443 1.370 10 0 CDAERP C[C@H](CN1CCC([NH+]2CCCCC2)CC1)C(N)=[NH2+] ZINC000040694103 174377820 /nfs/dbraw/zinc/37/78/20/174377820.db2.gz PDPDUJLRWCBJIC-GFCCVEGCSA-N 2 0 252.406 1.509 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)N2Cc1cnn(-c2ccccc2)n1 ZINC000040749176 174393937 /nfs/dbraw/zinc/39/39/37/174393937.db2.gz OQZRRSLPOWJYTE-SFESLNEESA-N 2 0 283.379 1.721 10 0 CDAERP C[C@H]([NH3+])[C@H](c1ccccn1)N1CC[NH+](C(C)(C)C)CC1 ZINC000043340022 175013883 /nfs/dbraw/zinc/01/38/83/175013883.db2.gz HTIHYWPWIWSVNV-DZGCQCFKSA-N 2 0 276.428 1.886 10 0 CDAERP C[C@H]([NH3+])[C@H](c1cccnc1)N1CCC([NH+](C)C)CC1 ZINC000043346797 175017481 /nfs/dbraw/zinc/01/74/81/175017481.db2.gz BKXISCAYNUBLPU-SWLSCSKDSA-N 2 0 262.401 1.496 10 0 CDAERP C[C@H]([NH3+])[C@H](c1ccncc1)N1CC[NH+](C(C)(C)C)CC1 ZINC000043354129 175021392 /nfs/dbraw/zinc/02/13/92/175021392.db2.gz SKYCVCCCYRESEZ-DZGCQCFKSA-N 2 0 276.428 1.886 10 0 CDAERP CCN(C(=O)C[N@H+](CCC[NH3+])CC(C)C)C1CC1 ZINC000043417605 175038315 /nfs/dbraw/zinc/03/83/15/175038315.db2.gz YFWBSGJWTUYUAR-UHFFFAOYSA-N 2 0 255.406 1.304 10 0 CDAERP C[C@@H](C(=O)NCCC[NH2+]C1CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000043559838 175065949 /nfs/dbraw/zinc/06/59/49/175065949.db2.gz HSIVVDXGJYXDMW-XQQFMLRXSA-N 2 0 267.417 1.506 10 0 CDAERP CC(C)[NH+]1CCN(CCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000043591906 175074275 /nfs/dbraw/zinc/07/42/75/175074275.db2.gz RVWJACPSIDBBDR-HNNXBMFYSA-N 2 0 253.434 1.792 10 0 CDAERP CC[NH+]1CCN([C@@H]2Cc3ccccc3[C@H]2[NH2+]C)CC1 ZINC000043805789 175107361 /nfs/dbraw/zinc/10/73/61/175107361.db2.gz ZGGFTSVUWWEFHK-HZPDHXFCSA-N 2 0 259.397 1.509 10 0 CDAERP CCC[NH+]1CCN([C@H]2CCCC[C@H]2[NH2+]CC)CC1 ZINC000043805560 175107710 /nfs/dbraw/zinc/10/77/10/175107710.db2.gz KDPRVHULTIJVKL-CABCVRRESA-N 2 0 253.434 1.935 10 0 CDAERP CCOc1ccccc1[C@H](CN1CC[NH+](CC)CC1)[NH2+]C ZINC000043805846 175108665 /nfs/dbraw/zinc/10/86/65/175108665.db2.gz LBYWPYGMOTZWMZ-INIZCTEOSA-N 2 0 291.439 1.983 10 0 CDAERP CC[NH2+][C@H](c1ccc(OC)cc1)[C@@H](C)N1CC[NH+](C)CC1 ZINC000043810809 175110317 /nfs/dbraw/zinc/11/03/17/175110317.db2.gz BENXQEJLYSCJCO-PBHICJAKSA-N 2 0 291.439 1.982 10 0 CDAERP CCC[NH2+][C@@H]1CCOC[C@@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815469 175112511 /nfs/dbraw/zinc/11/25/11/175112511.db2.gz DRISCIFUQAUEMG-CABCVRRESA-N 2 0 269.433 1.170 10 0 CDAERP C[NH2+][C@H]1CCCCC[C@H]1N1CC[NH+](C(C)C)CC1 ZINC000043896889 175119127 /nfs/dbraw/zinc/11/91/27/175119127.db2.gz NWKHQOYVMZMYPS-LSDHHAIUSA-N 2 0 253.434 1.933 10 0 CDAERP CCC[NH2+][C@@H]1CCOC[C@H]1N1CC[NH+](C(C)(C)C)CC1 ZINC000043965728 175127107 /nfs/dbraw/zinc/12/71/07/175127107.db2.gz DNVLYFZCCNAHEU-HUUCEWRRSA-N 2 0 283.460 1.560 10 0 CDAERP C[NH2+][C@@H]1CCCC[C@@H]1N1CCC(C[NH+](C)C)CC1 ZINC000043970628 175131817 /nfs/dbraw/zinc/13/18/17/175131817.db2.gz KUCNCAYXUXNXNG-CABCVRRESA-N 2 0 253.434 1.791 10 0 CDAERP CC[NH+]1CCC(C[NH2+]CC(=O)NC(C)(C)CC)CC1 ZINC000044518475 175190798 /nfs/dbraw/zinc/19/07/98/175190798.db2.gz WPBBCSPGTNQYDZ-UHFFFAOYSA-N 2 0 269.433 1.613 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000044526950 175191820 /nfs/dbraw/zinc/19/18/20/175191820.db2.gz YQLBXUYHIDUFFL-JSGCOSHPSA-N 2 0 267.417 1.223 10 0 CDAERP [NH3+]C[C@@H]1CCC[N@@H+](C2CCC3(CC2)OCCO3)C1 ZINC000044527601 175192477 /nfs/dbraw/zinc/19/24/77/175192477.db2.gz LDSWUXVWQMCFOQ-LBPRGKRZSA-N 2 0 254.374 1.343 10 0 CDAERP C[C@@H](C[NH+]1CCCC1)NC(=O)C1(C[NH3+])CCCCCC1 ZINC000044763645 175247361 /nfs/dbraw/zinc/24/73/61/175247361.db2.gz IZXYHVAVEITFQY-AWEZNQCLSA-N 2 0 281.444 1.886 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)C1(C[NH3+])CCCCC1 ZINC000044763726 175247746 /nfs/dbraw/zinc/24/77/46/175247746.db2.gz IOKKXDYZMXGREV-AWEZNQCLSA-N 2 0 281.444 1.886 10 0 CDAERP C[C@@H](CNC(=O)C[C@H]1CCCC[NH2+]1)[NH+]1CCCCC1 ZINC000045010313 175289433 /nfs/dbraw/zinc/28/94/33/175289433.db2.gz MXXQEFXCSWQFLB-UONOGXRCSA-N 2 0 267.417 1.509 10 0 CDAERP O=C(C[N@@H+]1CCC[C@H]1C1CCCC1)N1CCC[NH2+]CC1 ZINC000045074060 175302840 /nfs/dbraw/zinc/30/28/40/175302840.db2.gz RWAHQBSOXXHPNC-HNNXBMFYSA-N 2 0 279.428 1.463 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)C2(C[NH3+])CCCCC2)C1 ZINC000045135553 175313396 /nfs/dbraw/zinc/31/33/96/175313396.db2.gz PZYXTDAPIPJFQR-CQSZACIVSA-N 2 0 281.444 1.742 10 0 CDAERP CC(C)[NH2+][C@@](C)(CCCC[N@H+](C)C(C)C)C(N)=O ZINC000045378005 175367833 /nfs/dbraw/zinc/36/78/33/175367833.db2.gz ZBQRDJMKHNOCFP-AWEZNQCLSA-N 2 0 257.422 1.739 10 0 CDAERP CC[N@H+](CCCC[C@](C)([NH2+]C)C(N)=O)CC(C)C ZINC000045381692 175370006 /nfs/dbraw/zinc/37/00/06/175370006.db2.gz HQZQFJQCYSECIA-AWEZNQCLSA-N 2 0 257.422 1.598 10 0 CDAERP CC[N@H+](CCC[C@@](C)([NH2+]C(C)C)C(N)=O)CC(C)C ZINC000045381882 175370238 /nfs/dbraw/zinc/37/02/38/175370238.db2.gz VPWXHLJUFSDDBI-OAHLLOKOSA-N 2 0 271.449 1.987 10 0 CDAERP C[C@@]([NH3+])(CCC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(N)=O ZINC000045419342 175377934 /nfs/dbraw/zinc/37/79/34/175377934.db2.gz GMINPAQSLJYUON-GZBFAFLISA-N 2 0 267.417 1.481 10 0 CDAERP CC[NH2+][C@@](C)(CCC[NH+]1CCC(OCC)CC1)C(N)=O ZINC000045420149 175378404 /nfs/dbraw/zinc/37/84/04/175378404.db2.gz PFHSUOFKWYIDNQ-HNNXBMFYSA-N 2 0 285.432 1.121 10 0 CDAERP CC(C)[NH2+][C@@H]1CCCN([C@H]2CCC[N@H+](C)C2)C1=O ZINC000071031101 176022480 /nfs/dbraw/zinc/02/24/80/176022480.db2.gz GRWBORNJVCCQNC-QWHCGFSZSA-N 2 0 253.390 1.070 10 0 CDAERP C[C@H](CN1CC[C@@H]([NH2+]C2CC2)C1=O)C[NH+]1CCCC1 ZINC000071031227 176022603 /nfs/dbraw/zinc/02/26/03/176022603.db2.gz JHTXBUZVNHSMIQ-GXTWGEPZSA-N 2 0 265.401 1.071 10 0 CDAERP O=C1[C@@H]([NH2+]C2CC2)CCCN1[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000071032070 176022953 /nfs/dbraw/zinc/02/29/53/176022953.db2.gz NEPOMYGXFKXUHR-KKUMJFAQSA-N 2 0 277.412 1.356 10 0 CDAERP O=C1[C@@H]([NH2+]C2CC2)CCCN1CCC[NH+]1CCCC1 ZINC000071031425 176022973 /nfs/dbraw/zinc/02/29/73/176022973.db2.gz SXRSNIBADMASBK-AWEZNQCLSA-N 2 0 265.401 1.215 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)N1CCC[C@H]([NH2+]C2CC2)C1=O ZINC000071034300 176024028 /nfs/dbraw/zinc/02/40/28/176024028.db2.gz QLJCKOFOTWWCBK-KBPBESRZSA-N 2 0 267.417 1.316 10 0 CDAERP CC(C)[NH2+][C@@H]1CCCN(C[C@H]2CCCC[N@@H+]2C)C1=O ZINC000071033676 176024290 /nfs/dbraw/zinc/02/42/90/176024290.db2.gz NPKPQCXBRMODBA-ZIAGYGMSSA-N 2 0 267.417 1.460 10 0 CDAERP CC[NH2+][C@H]1CCCN(CC(C)(C)C[NH+](C)C)C1=O ZINC000071036142 176025689 /nfs/dbraw/zinc/02/56/89/176025689.db2.gz RAOYDQYDJMZNEV-LBPRGKRZSA-N 2 0 255.406 1.175 10 0 CDAERP CC[NH2+][C@H]1CCCN(CC2CC[NH+](CC)CC2)C1=O ZINC000071036467 176025796 /nfs/dbraw/zinc/02/57/96/176025796.db2.gz HCYUPBUPKIIGIF-AWEZNQCLSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)[NH2+][C@@H]1CCCN(C2CC[NH+](C)CC2)C1=O ZINC000071039803 176027452 /nfs/dbraw/zinc/02/74/52/176027452.db2.gz PGRCERXAUBFRNR-CYBMUJFWSA-N 2 0 253.390 1.070 10 0 CDAERP CC[C@@H](c1ccc(O)cc1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071148836 176044667 /nfs/dbraw/zinc/04/46/67/176044667.db2.gz JLVGCOKRDABKJN-INIZCTEOSA-N 2 0 277.412 1.680 10 0 CDAERP C[C@H]([NH3+])[C@H](c1ccncc1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188136 176062925 /nfs/dbraw/zinc/06/29/25/176062925.db2.gz JYIGAILHVNHGBA-GZBFAFLISA-N 2 0 262.401 1.353 10 0 CDAERP CC(C)C[NH2+]Cc1cc(CN(C)C[C@H]2CC[N@H+](C)C2)on1 ZINC000071191915 176071657 /nfs/dbraw/zinc/07/16/57/176071657.db2.gz GHPJUECWMCHLDJ-AWEZNQCLSA-N 2 0 294.443 1.804 10 0 CDAERP C[NH2+]Cc1cc(CN(C)C[C@H]2CC[N@H+](C)C2)c(C)o1 ZINC000071192069 176073937 /nfs/dbraw/zinc/07/39/37/176073937.db2.gz OEENHPYCRPHFEM-ZDUSSCGKSA-N 2 0 265.401 1.691 10 0 CDAERP CCC[NH2+][C@H]1CCN(C[C@@H](C)[NH+]2CCCCC2)C1 ZINC000071201183 176077745 /nfs/dbraw/zinc/07/77/45/176077745.db2.gz MLSJBXVLRMVSLJ-CABCVRRESA-N 2 0 253.434 1.935 10 0 CDAERP COCC[N@H+](CCCc1ccccc1)CCC(N)=[NH2+] ZINC000071229084 176091280 /nfs/dbraw/zinc/09/12/80/176091280.db2.gz SJFAZNGQZRDALQ-UHFFFAOYSA-N 2 0 263.385 1.894 10 0 CDAERP [NH3+]Cc1cc(F)ccc1CN1CC[NH+](CC2CC2)CC1 ZINC000071263337 176096416 /nfs/dbraw/zinc/09/64/16/176096416.db2.gz TZXOOPZIEDBNJP-UHFFFAOYSA-N 2 0 277.387 1.812 10 0 CDAERP Cc1ccc([C@H](C[NH3+])N2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000071380370 176144916 /nfs/dbraw/zinc/14/49/16/176144916.db2.gz ZTGAJWQJHAYWBH-INIZCTEOSA-N 2 0 291.439 1.383 10 0 CDAERP COc1ccc([C@@H](CC[NH3+])C[NH+]2CCOCC2)cc1 ZINC000076680100 177058055 /nfs/dbraw/zinc/05/80/55/177058055.db2.gz QUUQCMKBPGWWSO-AWEZNQCLSA-N 2 0 264.369 1.460 10 0 CDAERP O[C@@H]1C[N@H+](Cc2ccccc2)CC[C@]12CCC[NH2+]C2 ZINC000076698175 177061154 /nfs/dbraw/zinc/06/11/54/177061154.db2.gz OLFHZGYRJNXHDJ-CVEARBPZSA-N 2 0 260.381 1.623 10 0 CDAERP COCCC[N@H+](CCC[C@H](C)CC[NH3+])CCOC ZINC000079193909 177442395 /nfs/dbraw/zinc/44/23/95/177442395.db2.gz LCZBQQCTRUBBQP-AWEZNQCLSA-N 2 0 260.422 1.736 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCC1([NH3+])CCC1 ZINC000417534453 287390539 /nfs/dbraw/zinc/39/05/39/287390539.db2.gz OHKMQXZYLQPNTO-CHWSQXEVSA-N 2 0 282.432 1.430 10 0 CDAERP CC(C)=CC[NH2+][C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001666306458 1173124578 /nfs/dbraw/zinc/12/45/78/1173124578.db2.gz MLDCOGXAOXGNJK-SHTZXODSSA-N 2 0 281.444 1.921 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]CC[C@H](C)F ZINC001666476301 1173139247 /nfs/dbraw/zinc/13/92/47/1173139247.db2.gz QNGGFTXVICDVNB-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP CN(C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000655446688 423864878 /nfs/dbraw/zinc/86/48/78/423864878.db2.gz HTNKKDYUZRWXGM-IJEWVQPXSA-N 2 0 277.412 1.071 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000655445980 423860999 /nfs/dbraw/zinc/86/09/99/423860999.db2.gz WFFQOFKCBSJBGS-RDJZCZTQSA-N 2 0 293.455 1.614 10 0 CDAERP [NH3+]Cc1cn([C@H]2CCC[N@H+](CC[C@H]3CCCCO3)C2)nn1 ZINC000662284027 423895635 /nfs/dbraw/zinc/89/56/35/423895635.db2.gz WTJHOJAVBMSKTH-LSDHHAIUSA-N 2 0 293.415 1.333 10 0 CDAERP C[C@H](CCNC(=O)NCCC1(C[NH3+])CC1)[NH+]1CCCCC1 ZINC000652178627 424004136 /nfs/dbraw/zinc/00/41/36/424004136.db2.gz SCGDXLWJSMECOF-CQSZACIVSA-N 2 0 296.459 1.679 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)NCCC1(C[NH3+])CC1 ZINC000652150471 423964695 /nfs/dbraw/zinc/96/46/95/423964695.db2.gz XUCLBUVHTPLARO-ZDUSSCGKSA-N 2 0 282.432 1.289 10 0 CDAERP CC[C@H]1CN(C(=O)NCCC[N@H+](C)CC(C)C)CC[C@H]1[NH3+] ZINC000652224596 424082731 /nfs/dbraw/zinc/08/27/31/424082731.db2.gz CHSFEGBSFPWRPI-LSDHHAIUSA-N 2 0 298.475 1.733 10 0 CDAERP [NH3+][C@H]1C[C@H](C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000662669302 424293874 /nfs/dbraw/zinc/29/38/74/424293874.db2.gz PGFFTCNYCFJOQX-WKILWMFISA-N 2 0 287.407 1.636 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662694937 424329076 /nfs/dbraw/zinc/32/90/76/424329076.db2.gz DYIQFXWZNAPLPP-KGLIPLIRSA-N 2 0 293.455 1.898 10 0 CDAERP CC[C@@H]1CN(C(=O)c2ccccc2CC[NH3+])CC[C@H]1[NH3+] ZINC000653135075 424348946 /nfs/dbraw/zinc/34/89/46/424348946.db2.gz RYKQRXCWSDJNKI-IUODEOHRSA-N 2 0 275.396 1.387 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662715641 424366157 /nfs/dbraw/zinc/36/61/57/424366157.db2.gz OJWASEUGRIIRJB-LLVKDONJSA-N 2 0 294.399 1.473 10 0 CDAERP C[C@@H]1CC[C@H]([NH2+]CCCN2CCC[N@H+](C)CC2)CS1 ZINC000655714363 424483948 /nfs/dbraw/zinc/48/39/48/424483948.db2.gz BQJXVLKQQQWANJ-CABCVRRESA-N 2 0 285.501 1.888 10 0 CDAERP C[C@@H]1CCN(C(=O)C2([NH2+]C3CC3)CCC2)C[C@H]1C[NH3+] ZINC000662813178 424502896 /nfs/dbraw/zinc/50/28/96/424502896.db2.gz IBVNPUXNBAGJBZ-VXGBXAGGSA-N 2 0 265.401 1.104 10 0 CDAERP C[C@H](CC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)C1CC[NH2+]CC1 ZINC000655489695 424507938 /nfs/dbraw/zinc/50/79/38/424507938.db2.gz ZSUJYMXBBCWEOI-NFAWXSAZSA-N 2 0 281.444 1.469 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662785383 424464922 /nfs/dbraw/zinc/46/49/22/424464922.db2.gz HKGNRTUCFVBNFI-UHFFFAOYSA-N 2 0 296.415 1.528 10 0 CDAERP C[C@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)[C@@H]1CCC[NH2+]C1 ZINC000665235619 424467509 /nfs/dbraw/zinc/46/75/09/424467509.db2.gz XHBGQADFEMBJIE-QWHCGFSZSA-N 2 0 288.457 1.179 10 0 CDAERP COC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCOCC1 ZINC000665235797 424469235 /nfs/dbraw/zinc/46/92/35/424469235.db2.gz AGMWHCQIBJLXBS-IZGVIRRGSA-N 2 0 268.401 1.301 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCC[NH+]3CCCC[C@@H]23)C1 ZINC000655349138 424475914 /nfs/dbraw/zinc/47/59/14/424475914.db2.gz KKALKHNWGSOHRA-ILXRZTDVSA-N 2 0 279.428 1.461 10 0 CDAERP CC[NH2+]C[C@H](CC(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001667113463 1173236557 /nfs/dbraw/zinc/23/65/57/1173236557.db2.gz XPFKVMHLNADJES-ZDUSSCGKSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC[C@@H]2CCCO2)CC1 ZINC000189180678 270274837 /nfs/dbraw/zinc/27/48/37/270274837.db2.gz ZZZMLZTYBMNRBR-ZBFHGGJFSA-N 2 0 284.444 1.580 10 0 CDAERP Cc1cnn(CC[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c1 ZINC000397250211 270348246 /nfs/dbraw/zinc/34/82/46/270348246.db2.gz CFXRARSWBHKOCI-MJBXVCDLSA-N 2 0 250.390 1.497 10 0 CDAERP C[C@@H]1CSC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000397851167 270351800 /nfs/dbraw/zinc/35/18/00/270351800.db2.gz UTAOZAUHDPJLHL-JHJVBQTASA-N 2 0 258.431 1.174 10 0 CDAERP CC(C)CC[C@@H](C)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000517088994 270511233 /nfs/dbraw/zinc/51/12/33/270511233.db2.gz CPORFTKRGRINGK-HUUCEWRRSA-N 2 0 271.449 1.009 10 0 CDAERP C(C1CC1)[NH+]1CCC(N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000530179810 271133404 /nfs/dbraw/zinc/13/34/04/271133404.db2.gz YBRIDZXJTVNLHK-OAHLLOKOSA-N 2 0 263.429 1.735 10 0 CDAERP C[C@@H]([NH2+]CCc1cccc2c1OC(F)(F)O2)C1C[NH2+]C1 ZINC000530216506 271157274 /nfs/dbraw/zinc/15/72/74/271157274.db2.gz PWJLEZPYPFLDAS-SECBINFHSA-N 2 0 284.306 1.748 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1 ZINC000423481980 274239829 /nfs/dbraw/zinc/23/98/29/274239829.db2.gz XBSYGKZPYDPSQI-WOPDTQHZSA-N 2 0 259.357 1.654 10 0 CDAERP CC(C)c1ccc(CC[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC000263180852 275737657 /nfs/dbraw/zinc/73/76/57/275737657.db2.gz GSTFTHODMBNRBQ-HZPDHXFCSA-N 2 0 262.397 1.522 10 0 CDAERP CCN(C(=O)C[NH3+])[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000368454116 276060969 /nfs/dbraw/zinc/06/09/69/276060969.db2.gz OTEXHCRJWWJWGF-UKRRQHHQSA-N 2 0 275.396 1.629 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)[NH2+]C(C)(C)CC)C1 ZINC000356326580 276178570 /nfs/dbraw/zinc/17/85/70/276178570.db2.gz VHEIPZDPAFTGLA-STQMWFEESA-N 2 0 269.433 1.754 10 0 CDAERP CN(C)c1ncccc1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000422866280 276905410 /nfs/dbraw/zinc/90/54/10/276905410.db2.gz QBMBCKCFDAPYTC-GXTWGEPZSA-N 2 0 262.401 1.755 10 0 CDAERP COCCN1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422703830 277221848 /nfs/dbraw/zinc/22/18/48/277221848.db2.gz IYBJVFTYXSSECZ-WCXIOVBPSA-N 2 0 295.471 1.608 10 0 CDAERP CC(C)[NH+]1CCN(CCC[NH2+][C@](C)(CO)C(C)C)CC1 ZINC000352878128 277610914 /nfs/dbraw/zinc/61/09/14/277610914.db2.gz CTTPSZVCHJIEDK-MRXNPFEDSA-N 2 0 285.476 1.399 10 0 CDAERP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262430693 278735513 /nfs/dbraw/zinc/73/55/13/278735513.db2.gz JNHKGYWAICAIGQ-SYQHCUMBSA-N 2 0 267.417 1.541 10 0 CDAERP CCC[NH+]1CCC(N[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000415007467 278805790 /nfs/dbraw/zinc/80/57/90/278805790.db2.gz URRANHYWCMMYMM-LBPRGKRZSA-N 2 0 261.360 1.448 10 0 CDAERP C[C@@H]1C[N@H+](C)C[C@H]1NC1CC[NH+](C2CCC2)CC1 ZINC000335780025 288097352 /nfs/dbraw/zinc/09/73/52/288097352.db2.gz BIKFTIXHRFALAZ-IUODEOHRSA-N 2 0 251.418 1.543 10 0 CDAERP CC[NH+](CC)CC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107666858 279086874 /nfs/dbraw/zinc/08/68/74/279086874.db2.gz KJJGDQGVGXXTSQ-HNNXBMFYSA-N 2 0 281.444 1.805 10 0 CDAERP CC[NH+](CC)CCNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000233431045 279106831 /nfs/dbraw/zinc/10/68/31/279106831.db2.gz XMFKLQRAENLVFQ-LBPRGKRZSA-N 2 0 255.406 1.223 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000417012168 279159010 /nfs/dbraw/zinc/15/90/10/279159010.db2.gz VZNTVSAVFNOPPV-HIFRSBDPSA-N 2 0 298.475 1.924 10 0 CDAERP COc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091542862 279286387 /nfs/dbraw/zinc/28/63/87/279286387.db2.gz DWBNFCNOJLFAMA-STQMWFEESA-N 2 0 291.395 1.823 10 0 CDAERP CC(C)[C@@H](CNC(=O)CC[C@@H](C)[NH3+])[NH+]1CCC(C)CC1 ZINC000193298439 279839674 /nfs/dbraw/zinc/83/96/74/279839674.db2.gz NFKWUKBXTNWKII-HUUCEWRRSA-N 2 0 283.460 1.987 10 0 CDAERP C[C@H](C(=O)N1CCCCCC1)N1CCC([NH+](C)C)CC1 ZINC000193816196 280012628 /nfs/dbraw/zinc/01/26/28/280012628.db2.gz JIXHKADMNMZVTN-CQSZACIVSA-N 2 0 281.444 1.804 10 0 CDAERP O=C([C@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1)N1CCCC1 ZINC000334318858 280131374 /nfs/dbraw/zinc/13/13/74/280131374.db2.gz XBPYTMLEUULJTP-GJZGRUSLSA-N 2 0 279.428 1.320 10 0 CDAERP CC[NH+](CC)CCCNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245673866 280226721 /nfs/dbraw/zinc/22/67/21/280226721.db2.gz FPDCTNVGPORYPA-GJZGRUSLSA-N 2 0 298.475 1.842 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)N(C)[C@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000246140262 280258447 /nfs/dbraw/zinc/25/84/47/280258447.db2.gz BVYVOOWYHZYLMJ-KKUMJFAQSA-N 2 0 296.459 1.452 10 0 CDAERP CCN(CC[NH2+]CC(C)C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001668455987 1173415805 /nfs/dbraw/zinc/41/58/05/1173415805.db2.gz UDKNTZDZPQSMGS-CHWSQXEVSA-N 2 0 278.400 1.607 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)NC1CCC([NH3+])CC1 ZINC000232804536 280991635 /nfs/dbraw/zinc/99/16/35/280991635.db2.gz MAJXNHQHFKQXKG-HTAVTVPLSA-N 2 0 253.390 1.151 10 0 CDAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000522145125 281089030 /nfs/dbraw/zinc/08/90/30/281089030.db2.gz IUMITZNEZWTCEN-CVEARBPZSA-N 2 0 289.423 1.227 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000527658428 281167905 /nfs/dbraw/zinc/16/79/05/281167905.db2.gz ZXOYXZPFPLMQRI-VRKREXBASA-N 2 0 265.445 1.647 10 0 CDAERP Cc1cc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)ccn1 ZINC000527702611 281172292 /nfs/dbraw/zinc/17/22/92/281172292.db2.gz YWNSRVOCYJDSFO-OAHLLOKOSA-N 2 0 277.412 1.981 10 0 CDAERP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@@H](O)CC3(O)CCC3)C2)C1 ZINC000528513732 281250662 /nfs/dbraw/zinc/25/06/62/281250662.db2.gz VGDVKZNOPAHSSU-LSDHHAIUSA-N 2 0 282.428 1.070 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC[C@H]1CCC[NH2+]C1 ZINC000251883748 288313877 /nfs/dbraw/zinc/31/38/77/288313877.db2.gz UZXDSKLBWBFROS-KFWWJZLASA-N 2 0 251.418 1.545 10 0 CDAERP C[NH+](C)CC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000175969202 282058170 /nfs/dbraw/zinc/05/81/70/282058170.db2.gz KMJJMLCFNOQNKS-IUODEOHRSA-N 2 0 295.452 1.809 10 0 CDAERP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000334941025 289015576 /nfs/dbraw/zinc/01/55/76/289015576.db2.gz NHSFJFRIGWXRRH-ZUJMUWTESA-N 2 0 294.443 1.395 10 0 CDAERP CCc1oc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1C ZINC000155460495 289240197 /nfs/dbraw/zinc/24/01/97/289240197.db2.gz CAFAUJGKFXZRKD-UHFFFAOYSA-N 2 0 295.427 1.716 10 0 CDAERP C[C@H](C(=O)N1CC[C@H]([NH3+])C(C)(C)C1)[NH+]1CCCCCC1 ZINC000261733647 289301765 /nfs/dbraw/zinc/30/17/65/289301765.db2.gz CXGBEGWIJFROMM-KGLIPLIRSA-N 2 0 281.444 1.837 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)NCCC[NH3+])C1CCCCC1 ZINC000417003934 289357671 /nfs/dbraw/zinc/35/76/71/289357671.db2.gz CBYNWPILLJMUOH-CYBMUJFWSA-N 2 0 270.421 1.145 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000262683517 289399518 /nfs/dbraw/zinc/39/95/18/289399518.db2.gz YZQLTNVEEKANSO-MJBXVCDLSA-N 2 0 267.417 1.304 10 0 CDAERP CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000063122335 289569311 /nfs/dbraw/zinc/56/93/11/289569311.db2.gz RRSRDWYBVXJOMJ-KBPBESRZSA-N 2 0 267.417 1.304 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)[C@H]2CCC[C@H]21 ZINC000423488314 290218034 /nfs/dbraw/zinc/21/80/34/290218034.db2.gz VGOFZGVVPYYBMK-XUWVNRHRSA-N 3 0 265.445 1.981 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC(C[NH+](C)C)CC2)C1 ZINC000561257208 293070215 /nfs/dbraw/zinc/07/02/15/293070215.db2.gz LRPFWRIBYDJPTF-CYBMUJFWSA-N 2 0 267.417 1.128 10 0 CDAERP CC(C)CC1(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CCC1 ZINC000567683323 293838656 /nfs/dbraw/zinc/83/86/56/293838656.db2.gz LQRFOBVKQXBKKJ-INIZCTEOSA-N 2 0 297.487 1.401 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCCC[C@@H]2C[NH+](C)C)CC[NH2+]1 ZINC000567895982 293900527 /nfs/dbraw/zinc/90/05/27/293900527.db2.gz HJLYWXISJZNQJI-MELADBBJSA-N 2 0 267.417 1.317 10 0 CDAERP [NH3+]C[C@@H](NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000568373186 294022775 /nfs/dbraw/zinc/02/27/75/294022775.db2.gz XUHSFIGFSGFOEX-UONOGXRCSA-N 2 0 280.416 1.040 10 0 CDAERP Cc1cccn2c(C[NH2+]CCCN3CCC3)cnc12 ZINC000570526577 294256947 /nfs/dbraw/zinc/25/69/47/294256947.db2.gz ATBXHMIXAWNPBJ-UHFFFAOYSA-N 2 0 258.369 1.828 10 0 CDAERP FC(F)[C@H]1C[NH2+]CCN1CCC[NH+]1CCCCC1 ZINC000571208734 294389402 /nfs/dbraw/zinc/38/94/02/294389402.db2.gz HIXXZMVLEHWJLW-GFCCVEGCSA-N 2 0 261.360 1.401 10 0 CDAERP Cc1ccsc1[C@H](CO)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000573020373 294738717 /nfs/dbraw/zinc/73/87/17/294738717.db2.gz IPJZNQCVCWGSDX-WOPDTQHZSA-N 2 0 254.399 1.949 10 0 CDAERP CC[NH2+]CCCNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000573821089 294894496 /nfs/dbraw/zinc/89/44/96/294894496.db2.gz UNIAITUSRNWWED-UHFFFAOYSA-N 2 0 284.448 1.406 10 0 CDAERP C[C@H](CC(F)(F)F)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000574253504 294971549 /nfs/dbraw/zinc/97/15/49/294971549.db2.gz GZWXISLAVANSLC-LLVKDONJSA-N 2 0 297.365 1.527 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000574924054 295078065 /nfs/dbraw/zinc/07/80/65/295078065.db2.gz RGRBSSPCEWCEBS-CWRNSKLLSA-N 2 0 287.407 1.387 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000094460092 297094388 /nfs/dbraw/zinc/09/43/88/297094388.db2.gz HTXVBXLADOCCJJ-AAVRWANBSA-N 2 0 265.401 1.057 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CCF ZINC001669075469 1173502441 /nfs/dbraw/zinc/50/24/41/1173502441.db2.gz RICKSEHVIWZXDR-WSNITJDQSA-N 2 0 285.407 1.481 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000261746825 303425882 /nfs/dbraw/zinc/42/58/82/303425882.db2.gz MFTUNWLDQUBPLT-RBSFLKMASA-N 2 0 279.428 1.306 10 0 CDAERP [NH3+][C@@H]1CCC[C@H](C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000237889002 303462542 /nfs/dbraw/zinc/46/25/42/303462542.db2.gz CHBVKLNZILPMTA-ARFHVFGLSA-N 2 0 293.455 1.981 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000563381487 316280451 /nfs/dbraw/zinc/28/04/51/316280451.db2.gz SXBMVEXZVNRCIB-WLYUNCDWSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)[NH2+]CCCNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000563598183 316338872 /nfs/dbraw/zinc/33/88/72/316338872.db2.gz WFQKWKKIZJPPPB-OAHLLOKOSA-N 2 0 282.432 1.160 10 0 CDAERP Cn1cc(-c2cc(C[NH+]3CCC(CC[NH3+])CC3)on2)cn1 ZINC000563631298 316347597 /nfs/dbraw/zinc/34/75/97/316347597.db2.gz QKABIPMACHBMQQ-UHFFFAOYSA-N 2 0 289.383 1.636 10 0 CDAERP C[C@@H]1CCC[C@H](C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)[C@@H]1C ZINC000575916912 317038117 /nfs/dbraw/zinc/03/81/17/317038117.db2.gz BEHSSRBZIPZMDT-QBPKDAKJSA-N 2 0 297.487 1.257 10 0 CDAERP C[N@H+](C[C@@H](O)CNC1CC([NH+]2CCCCC2)C1)C1CC1 ZINC000576747375 317198714 /nfs/dbraw/zinc/19/87/14/317198714.db2.gz RDDHYXIBVCPIBL-BCLQGDPASA-N 2 0 281.444 1.048 10 0 CDAERP CN(C)C(=O)[C@H]1CCC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000120044705 1173861476 /nfs/dbraw/zinc/86/14/76/1173861476.db2.gz RPRHJBOQXZNNFX-KBPBESRZSA-N 2 0 267.417 1.271 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCCC[C@H]2[NH3+])[C@@H]1n1cccn1 ZINC000579461595 324190600 /nfs/dbraw/zinc/19/06/00/324190600.db2.gz GYCIFBROUFCYTD-LJIZCISZSA-N 2 0 292.427 1.851 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN[C@H]1CC[NH2+]C[C@H]1C ZINC000583982171 325278231 /nfs/dbraw/zinc/27/82/31/325278231.db2.gz YMFWUKKCJHGNMU-WBMJQRKESA-N 2 0 285.395 1.663 10 0 CDAERP CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001699016413 1159206765 /nfs/dbraw/zinc/20/67/65/1159206765.db2.gz QXCRGNZQZZBUEY-KGLIPLIRSA-N 2 0 281.444 1.755 10 0 CDAERP CN(CC[NH2+]CCc1ccccc1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001267354846 1159293855 /nfs/dbraw/zinc/29/38/55/1159293855.db2.gz ACHUWCHXRZRXLN-MRXNPFEDSA-N 2 0 289.423 1.371 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001731515843 1159298706 /nfs/dbraw/zinc/29/87/06/1159298706.db2.gz AAMAKXJPFMLSKJ-HNNXBMFYSA-N 2 0 293.455 1.853 10 0 CDAERP CC[C@H](CNC(=O)[C@@H](C)Cc1c[nH]cn1)[NH2+]CCF ZINC001481858123 1159951103 /nfs/dbraw/zinc/95/11/03/1159951103.db2.gz QSIDOPZBKGKRNT-WDEREUQCSA-N 2 0 270.352 1.042 10 0 CDAERP CCC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001268791805 1160016640 /nfs/dbraw/zinc/01/66/40/1160016640.db2.gz RFWFPZFEUIJDKG-AWEZNQCLSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001701000558 1177234697 /nfs/dbraw/zinc/23/46/97/1177234697.db2.gz QOMOUTGIESIOHH-OLZOCXBDSA-N 2 0 269.433 1.467 10 0 CDAERP C[C@@H](CNC(=O)C1CCC([NH3+])CC1)[N@H+](C)C1CC1 ZINC000226398721 482433113 /nfs/dbraw/zinc/43/31/13/482433113.db2.gz WASZITCQCAYHGQ-UNXYVOJBSA-N 2 0 253.390 1.103 10 0 CDAERP CN(CCC[NH3+])C(=O)c1ccccc1OCC[NH+](C)C ZINC000158769562 482577988 /nfs/dbraw/zinc/57/79/88/482577988.db2.gz JJQPLHOKKNXJSR-UHFFFAOYSA-N 2 0 279.384 1.048 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000417524952 482594237 /nfs/dbraw/zinc/59/42/37/482594237.db2.gz AGSBAAKESFXZTI-LJISPDSOSA-N 2 0 296.459 1.818 10 0 CDAERP C[C@H]1CC[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)CS1 ZINC000655715799 482817380 /nfs/dbraw/zinc/81/73/80/482817380.db2.gz NTCACADRQNFPGP-RYUDHWBXSA-N 2 0 258.431 1.317 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)NC[C@H]([NH3+])c2ccccc2)C1 ZINC000669403408 482887933 /nfs/dbraw/zinc/88/79/33/482887933.db2.gz ZUCXIJZZZORPMX-KGLIPLIRSA-N 2 0 276.384 1.080 10 0 CDAERP Cc1ccc([C@@H]([NH3+])C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000336339859 482908541 /nfs/dbraw/zinc/90/85/41/482908541.db2.gz SDFBBISCINDXIF-WBVHZDCISA-N 2 0 287.407 1.597 10 0 CDAERP CN(C(=O)N[C@@H]1CCC[NH+](C)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000672754125 482932216 /nfs/dbraw/zinc/93/22/16/482932216.db2.gz QBQHATNGZBAXCX-JKXDFHQYSA-N 2 0 294.443 1.347 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000666853067 482951111 /nfs/dbraw/zinc/95/11/11/482951111.db2.gz BJMXEKLDEXLKEV-HUUCEWRRSA-N 3 0 285.395 1.935 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N[C@H]2CCC[NH2+]CC2)CC1 ZINC000669432862 483052257 /nfs/dbraw/zinc/05/22/57/483052257.db2.gz BGXWFJXHNFXZMQ-HNNXBMFYSA-N 2 0 296.459 1.550 10 0 CDAERP NC(=O)c1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000252416962 483108920 /nfs/dbraw/zinc/10/89/20/483108920.db2.gz PMSNJLUEFWDSQZ-JKSUJKDBSA-N 2 0 287.407 1.750 10 0 CDAERP COc1cc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc2c1OCCO2 ZINC000414932092 483295335 /nfs/dbraw/zinc/29/53/35/483295335.db2.gz VKWVUJDTWIJHDU-STQMWFEESA-N 2 0 292.379 1.826 10 0 CDAERP CC1(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)CCC1 ZINC000415059257 483299150 /nfs/dbraw/zinc/29/91/50/483299150.db2.gz UWUXRVMRHPOKDE-UHFFFAOYSA-N 2 0 265.445 1.983 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000136193345 483379972 /nfs/dbraw/zinc/37/99/72/483379972.db2.gz BJHZWAKRFCNDGK-AWEZNQCLSA-N 2 0 255.406 1.367 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000136411375 483402457 /nfs/dbraw/zinc/40/24/57/483402457.db2.gz HZUHAOGBNRYSCW-ZIAGYGMSSA-N 2 0 269.433 1.598 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@H](O)C1CC1 ZINC000680120980 483541636 /nfs/dbraw/zinc/54/16/36/483541636.db2.gz SBEUMWFWBZJRFX-HNNXBMFYSA-N 2 0 272.352 1.436 10 0 CDAERP CC(C)[NH+]1CCN(C(=O)[C@@H]2CC[C@@H](C)[C@@H]([NH3+])C2)CC1 ZINC000055129198 519680220 /nfs/dbraw/zinc/68/02/20/519680220.db2.gz TVXUZPIJFGIWSI-MCIONIFRSA-N 2 0 267.417 1.303 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)[C@H]1CCC[C@H]([NH3+])[C@@H]1C ZINC000055134750 519716078 /nfs/dbraw/zinc/71/60/78/519716078.db2.gz ZUMYIOFOKIFJAM-ILXRZTDVSA-N 2 0 283.460 1.796 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@@H](COCC[NH+](CC)CC)O1 ZINC000052672013 519938376 /nfs/dbraw/zinc/93/83/76/519938376.db2.gz FJWXPCWUJHFJBG-CABCVRRESA-N 2 0 272.433 1.892 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000061267074 519938959 /nfs/dbraw/zinc/93/89/59/519938959.db2.gz GXMXOEWTGGPPOI-UKRRQHHQSA-N 2 0 277.412 1.651 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@H](C[N@@H+]2CCOC(C)(C)C2)O1 ZINC000052481882 519955041 /nfs/dbraw/zinc/95/50/41/519955041.db2.gz VPFOLAVVPMMAMV-QWHCGFSZSA-N 2 0 256.390 1.254 10 0 CDAERP CC[N@H+](C)CCCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001707424887 1178038234 /nfs/dbraw/zinc/03/82/34/1178038234.db2.gz ZEYJSNRMUUUPLM-BETUJISGSA-N 2 0 255.406 1.317 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@H](C[N@H+](C)[C@@H]2CCSC2)O1 ZINC000052453574 519980029 /nfs/dbraw/zinc/98/00/29/519980029.db2.gz WPKWKBROJVNFKX-JHJVBQTASA-N 2 0 258.431 1.581 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@H](C[N@H+]2C[C@@H](C)O[C@@H](C)C2)O1 ZINC000052380799 519981176 /nfs/dbraw/zinc/98/11/76/519981176.db2.gz JAAOEOHGBRDMQR-XJFOESAGSA-N 2 0 256.390 1.253 10 0 CDAERP CC[NH2+]Cc1cn(CC[N@H+](CC(C)C)C2CC2)nn1 ZINC000052515768 520012473 /nfs/dbraw/zinc/01/24/73/520012473.db2.gz AZXLOJHHJOGWBP-UHFFFAOYSA-N 2 0 265.405 1.508 10 0 CDAERP CCC[NH2+][C@@](C)(C[C@H](C)N1CCC[C@@H]1C[NH+](C)C)C(N)=O ZINC000068642817 520043955 /nfs/dbraw/zinc/04/39/55/520043955.db2.gz CWRIVTJGTLROKE-LZWOXQAQSA-N 2 0 298.475 1.035 10 0 CDAERP CCC[NH2+][C@H]1CCOC[C@@H]1N1CCC[C@@H]1C[NH+](C)C ZINC000061643769 520096709 /nfs/dbraw/zinc/09/67/09/520096709.db2.gz BXPWDLLYLOBTSH-ILXRZTDVSA-N 2 0 269.433 1.170 10 0 CDAERP CCO[C@@H](C[NH3+])CC[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000062741163 520306876 /nfs/dbraw/zinc/30/68/76/520306876.db2.gz UHJUQHDKXJDRHD-GXTWGEPZSA-N 2 0 258.406 1.487 10 0 CDAERP CCC[N@H+](CC)CCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000052448409 521611978 /nfs/dbraw/zinc/61/19/78/521611978.db2.gz JKUXXUGKBLZRPN-UHFFFAOYSA-N 2 0 267.421 1.898 10 0 CDAERP CC(C)(C)[NH+]1CCN(Cc2csc(C[NH3+])n2)CC1 ZINC000052571644 518712886 /nfs/dbraw/zinc/71/28/86/518712886.db2.gz CXQHDVJUFMDSHC-UHFFFAOYSA-N 2 0 268.430 1.518 10 0 CDAERP CC(C)(C[NH2+]C1CC1)CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062970476 519265003 /nfs/dbraw/zinc/26/50/03/519265003.db2.gz NTIBUMYNCIJLTQ-OAHLLOKOSA-N 2 0 265.445 1.935 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC([NH+]2CCO[C@H](C)C2)CC1 ZINC000067592268 519606352 /nfs/dbraw/zinc/60/63/52/519606352.db2.gz DFPKPEQAJYHGGP-CQSZACIVSA-N 2 0 297.443 1.038 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)C2(C)CC[NH2+]CC2)CC1 ZINC000062840280 519670475 /nfs/dbraw/zinc/67/04/75/519670475.db2.gz WGWDXHODTNVAQL-UHFFFAOYSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000055147724 519680374 /nfs/dbraw/zinc/68/03/74/519680374.db2.gz CIBVHKVMSSZNMV-ZIAGYGMSSA-N 2 0 267.417 1.304 10 0 CDAERP CC(C)[NH2+]CC1(C[N@@H+]2CCCC[C@H]2CO)CCOCC1 ZINC000052183591 519719756 /nfs/dbraw/zinc/71/97/56/519719756.db2.gz SGFMMUHGVBJKCE-HNNXBMFYSA-N 2 0 284.444 1.628 10 0 CDAERP CC(C)C[NH+]1CCN(Cc2csc(C[NH3+])n2)CC1 ZINC000055082862 519726864 /nfs/dbraw/zinc/72/68/64/519726864.db2.gz DFCOOOLEKJLWQW-UHFFFAOYSA-N 2 0 268.430 1.375 10 0 CDAERP CC(C)C[NH+]1CCN([C@H](C)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000055075639 519728141 /nfs/dbraw/zinc/72/81/41/519728141.db2.gz UEDCYGOYFUBZDO-CVEARBPZSA-N 2 0 283.460 1.417 10 0 CDAERP CC(C)C[NH2+]Cc1cn(CC[N@@H+]2CCCC[C@@H]2C)nn1 ZINC000052378867 519747945 /nfs/dbraw/zinc/74/79/45/519747945.db2.gz SOQQTYLRDCUBTO-AWEZNQCLSA-N 2 0 279.432 1.898 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)C1CCC(C[NH3+])CC1 ZINC000055162628 519793152 /nfs/dbraw/zinc/79/31/52/519793152.db2.gz MORYZUNXEZUKCN-JXQTWKCFSA-N 2 0 269.433 1.454 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000061298635 519905228 /nfs/dbraw/zinc/90/52/28/519905228.db2.gz JXYOWWQROGDVOW-GFCCVEGCSA-N 2 0 257.422 1.467 10 0 CDAERP CCC[NH2+]C1CCN([C@H]2CC[N@@H+]3CCC[C@H]23)CC1 ZINC000049568626 519906353 /nfs/dbraw/zinc/90/63/53/519906353.db2.gz DOFMRHFVLPKRKF-CABCVRRESA-N 2 0 251.418 1.687 10 0 CDAERP CCC[NH2+]C[C@H]1CCN([C@@H]2C[NH+]3CCC2CC3)C1 ZINC000053012390 519937288 /nfs/dbraw/zinc/93/72/88/519937288.db2.gz NCZXXJZGHRXPBT-UKRRQHHQSA-N 2 0 251.418 1.402 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@H](C[N@@H+]2CCOC[C@@H]2CC)O1 ZINC000052481616 519938632 /nfs/dbraw/zinc/93/86/32/519938632.db2.gz WIMMSPJCUUBZQH-RRFJBIMHSA-N 2 0 270.417 1.644 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@@H+]2CCCSCC2)O1 ZINC000052371148 519977392 /nfs/dbraw/zinc/97/73/92/519977392.db2.gz DXIKTZPEDMNUMA-OLZOCXBDSA-N 2 0 258.431 1.582 10 0 CDAERP CC[NH2+]C[C@]1(CN2CCC[C@@H]2C[NH+](C)C)CCOC1 ZINC000061653478 519983558 /nfs/dbraw/zinc/98/35/58/519983558.db2.gz XWCGAWHKTVYKDT-CABCVRRESA-N 2 0 269.433 1.029 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000061272916 520063097 /nfs/dbraw/zinc/06/30/97/520063097.db2.gz IAGNEEZEPRGHIW-QWHCGFSZSA-N 2 0 255.406 1.365 10 0 CDAERP CC[NH2+][C@H](C)[C@H](C)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062979457 520175728 /nfs/dbraw/zinc/17/57/28/520175728.db2.gz BWOFKVQJCGILLO-ILXRZTDVSA-N 2 0 253.434 1.933 10 0 CDAERP CC[NH+](CC)C1CCN(C(=O)[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000070254510 520568160 /nfs/dbraw/zinc/56/81/60/520568160.db2.gz HDCZRZQAIDYQHI-HNNXBMFYSA-N 2 0 293.455 1.709 10 0 CDAERP CCC[C@@H](C)[NH2+]CCN1CC[C@H]([NH+]2CCCC2)C1 ZINC000062974447 520667379 /nfs/dbraw/zinc/66/73/79/520667379.db2.gz LQWVGSVDNNOPSA-CABCVRRESA-N 2 0 253.434 1.935 10 0 CDAERP CC[NH+](CC)C[C@H](O)CN[C@H](C)C[NH+]1CCCCC1 ZINC000049501186 520737826 /nfs/dbraw/zinc/73/78/26/520737826.db2.gz ZFZWATABTDCMGE-HUUCEWRRSA-N 2 0 271.449 1.153 10 0 CDAERP CC1=CC[N@H+](CCNC(=O)NCC[NH+]2CCCCC2)CC1 ZINC000357740335 520871798 /nfs/dbraw/zinc/87/17/98/520871798.db2.gz JBPYUOLZUIMGOK-UHFFFAOYSA-N 2 0 294.443 1.424 10 0 CDAERP CC1CCC(C[NH3+])(N(C)CC[NH+]2CCCC2)CC1 ZINC000063051309 520915734 /nfs/dbraw/zinc/91/57/34/520915734.db2.gz KUEANOZQFLEVIX-UHFFFAOYSA-N 2 0 253.434 1.922 10 0 CDAERP CCOC(=O)N1CCC([N@H+]2[C@@H]3CC[C@H]2CC([NH2+]C)C3)CC1 ZINC000054627743 520925147 /nfs/dbraw/zinc/92/51/47/520925147.db2.gz NFIONDOCTFUZMS-LQDVMPOASA-N 2 0 295.427 1.822 10 0 CDAERP CC[N@H+](CCCC[C@@](C)([NH2+]C)C(N)=O)CC1CC1 ZINC000069239456 521004274 /nfs/dbraw/zinc/00/42/74/521004274.db2.gz CSKADQQVQPPRSF-CQSZACIVSA-N 2 0 255.406 1.352 10 0 CDAERP CC[N@H+](CCCC[C@](C)([NH2+]C1CC1)C(N)=O)CC1CC1 ZINC000069239509 521004694 /nfs/dbraw/zinc/00/46/94/521004694.db2.gz ANACROZRYCMRFI-INIZCTEOSA-N 2 0 281.444 1.885 10 0 CDAERP CCSCC[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000364852355 521708773 /nfs/dbraw/zinc/70/87/73/521708773.db2.gz HHMCYLIMIGJGAF-ZDUSSCGKSA-N 2 0 272.458 1.830 10 0 CDAERP CN(C)C[C@@H]1CCC[N@@H+]1CCC[C@@H]1CCC[NH2+]C1 ZINC000061652465 521837709 /nfs/dbraw/zinc/83/77/09/521837709.db2.gz WXSRBVLQKVHHJT-GJZGRUSLSA-N 2 0 253.434 1.792 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000061656222 521863973 /nfs/dbraw/zinc/86/39/73/521863973.db2.gz GUWSHVXEGDPXCW-AGIUHOORSA-N 2 0 253.390 1.057 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1CC[NH2+]Cc1ccccn1 ZINC000061655229 521868160 /nfs/dbraw/zinc/86/81/60/521868160.db2.gz CTBDDFNYFSGVQB-OAHLLOKOSA-N 2 0 262.401 1.197 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1[C@@H](C[NH3+])c1cc(F)ccc1F ZINC000061642727 521871924 /nfs/dbraw/zinc/87/19/24/521871924.db2.gz MWZJNGMVIILBOK-DOMZBBRYSA-N 2 0 283.366 1.991 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1c1nc2ccccn2c1C[NH3+] ZINC000061646086 521876509 /nfs/dbraw/zinc/87/65/09/521876509.db2.gz XLWVCVLKPYGQMR-GFCCVEGCSA-N 2 0 273.384 1.323 10 0 CDAERP C[NH2+]C(C)(C)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000061318395 521937260 /nfs/dbraw/zinc/93/72/60/521937260.db2.gz AAMLPKGRCPGSAB-SNVBAGLBSA-N 2 0 269.414 1.465 10 0 CDAERP C[NH2+]C[C@H]1CC[C@@H](C[N@@H+]2C[C@@H](C)OC(C)(C)C2)O1 ZINC000052543593 522094010 /nfs/dbraw/zinc/09/40/10/522094010.db2.gz XERKTPMMTZUYEQ-UPJWGTAASA-N 2 0 256.390 1.253 10 0 CDAERP C[NH2+]Cc1ccc(OCCOC2CC[NH+](C)CC2)cc1 ZINC000052596715 522121586 /nfs/dbraw/zinc/12/15/86/522121586.db2.gz IHFDUVNGYKBVNK-UHFFFAOYSA-N 2 0 278.396 1.896 10 0 CDAERP C[NH2+]Cc1ccccc1C[N@H+](C)Cc1cnn(C)c1 ZINC000052570444 522134953 /nfs/dbraw/zinc/13/49/53/522134953.db2.gz ACNMWIMQXXEAMP-UHFFFAOYSA-N 2 0 258.369 1.772 10 0 CDAERP CC[C@H]([NH3+])[C@@H](N1CC[C@H]([NH+](C)C)C1)C(F)(F)F ZINC000062964237 522337213 /nfs/dbraw/zinc/33/72/13/522337213.db2.gz ZQFAHQLCWBTMJH-LPEHRKFASA-N 2 0 253.312 1.291 10 0 CDAERP C[NH2+][C@@H]1CC[C@H](C(C)C)C[C@H]1C[N@H+](C)C[C@@H](C)O ZINC000054560650 522398371 /nfs/dbraw/zinc/39/83/71/522398371.db2.gz GTILTEYBSWPZNB-CBBWQLFWSA-N 2 0 256.434 1.959 10 0 CDAERP CN(C1CC[NH+](C)CC1)[C@@]1(C[NH3+])CCCSC1 ZINC000061589870 522415505 /nfs/dbraw/zinc/41/55/05/522415505.db2.gz OBADLRWXHNHJAI-CYBMUJFWSA-N 2 0 257.447 1.237 10 0 CDAERP C[NH2+][C@H](CN1CCC([NH+]2CCCCC2)CC1)C1CC1 ZINC000069074018 522467140 /nfs/dbraw/zinc/46/71/40/522467140.db2.gz ZEFGQQWQCZDDCE-MRXNPFEDSA-N 2 0 265.445 1.935 10 0 CDAERP CC[C@@H](CC[NH3+])[N@@H+]1CCCN(Cc2ncccn2)CC1 ZINC000054458642 522498257 /nfs/dbraw/zinc/49/82/57/522498257.db2.gz WDQOLQLTIUOIHG-AWEZNQCLSA-N 2 0 277.416 1.112 10 0 CDAERP C[N@H+](CC1CC[NH+](C)CC1)[C@H]1Cc2ccccc2[C@@H]1O ZINC000063121553 522659762 /nfs/dbraw/zinc/65/97/62/522659762.db2.gz KHSCVLGFECSFHR-IRXDYDNUSA-N 2 0 274.408 1.918 10 0 CDAERP C[N@H+](CCN1CCC[NH2+]CC1)Cc1cccc(F)c1 ZINC000061274968 522833274 /nfs/dbraw/zinc/83/32/74/522833274.db2.gz MXEXHEUQDBAKER-UHFFFAOYSA-N 2 0 265.376 1.553 10 0 CDAERP COCCC[N@H+](CCOC)[C@@H](C)CC[NH2+]C(C)C ZINC000052543328 523258906 /nfs/dbraw/zinc/25/89/06/523258906.db2.gz ZMYAEXNMKSSGAY-AWEZNQCLSA-N 2 0 260.422 1.748 10 0 CDAERP CC[C@@H]1CN(CC[C@@H]2CCC[N@@H+]2C)CC[NH+]1CCOC ZINC000161677622 523444581 /nfs/dbraw/zinc/44/45/81/523444581.db2.gz ZHVXVRBRKLWLMP-CVEARBPZSA-N 2 0 283.460 1.513 10 0 CDAERP COCC[N@H+](CCCC1CC[NH2+]CC1)[C@H](C)COC ZINC000050953731 523694451 /nfs/dbraw/zinc/69/44/51/523694451.db2.gz DCYQQADXAQWVHR-CQSZACIVSA-N 2 0 272.433 1.750 10 0 CDAERP COCC[NH+](CCOC)[C@H](C)CCC[NH2+]C1CC1 ZINC000052571460 523723510 /nfs/dbraw/zinc/72/35/10/523723510.db2.gz CDONSNPPXQBGST-CYBMUJFWSA-N 2 0 258.406 1.502 10 0 CDAERP C[NH+](C)CC1CCN(C(=O)[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000055088864 524049318 /nfs/dbraw/zinc/04/93/18/524049318.db2.gz ZQBCBHGGPZTXSV-ZIAGYGMSSA-N 2 0 267.417 1.304 10 0 CDAERP C[NH+](C)CCCCNC(=O)[C@H]1CCC[C@H](CC[NH3+])C1 ZINC000055162592 524052190 /nfs/dbraw/zinc/05/21/90/524052190.db2.gz AWNQZTPVEKVJIA-KGLIPLIRSA-N 2 0 269.433 1.600 10 0 CDAERP C[C@@H]1CCCC[C@@]1(C[NH3+])N1CCN(CC[NH+](C)C)CC1 ZINC000061643198 524153803 /nfs/dbraw/zinc/15/38/03/524153803.db2.gz GUTNKGJXBQFJLQ-CVEARBPZSA-N 2 0 282.476 1.073 10 0 CDAERP C[C@H](C[NH+]1CCCC1)NC(=O)c1ccc(C[NH3+])cc1 ZINC000049149399 524316255 /nfs/dbraw/zinc/31/62/55/524316255.db2.gz QILWRYQCSISUBC-GFCCVEGCSA-N 2 0 261.369 1.359 10 0 CDAERP C[C@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC000055138657 524414614 /nfs/dbraw/zinc/41/46/14/524414614.db2.gz ONIYERYWOCCIHH-XUXIUFHCSA-N 2 0 267.417 1.350 10 0 CDAERP C[C@@H](CC[NH+](C)C)NC(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050951359 524466574 /nfs/dbraw/zinc/46/65/74/524466574.db2.gz MAFRSPHSGYSYLA-QWHCGFSZSA-N 2 0 255.406 1.365 10 0 CDAERP C[C@@H](CC[NH+](C)C)NC(=O)c1ccc(C[NH+](C)C)nc1 ZINC000339269683 524472384 /nfs/dbraw/zinc/47/23/84/524472384.db2.gz HMCPYPGOZAYBCB-LBPRGKRZSA-N 2 0 278.400 1.213 10 0 CDAERP C[C@@H]1CC[C@H](C(=O)NCC(C)(C)C[NH+](C)C)C[C@@H]1[NH3+] ZINC000055125282 524632446 /nfs/dbraw/zinc/63/24/46/524632446.db2.gz ZVUWGUBITVCZCB-AGIUHOORSA-N 2 0 269.433 1.454 10 0 CDAERP C[C@@H]1CC[C@H](C)C[C@H]1[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000068632410 524649480 /nfs/dbraw/zinc/64/94/80/524649480.db2.gz JAQRJOJOTPILMT-ZJIFWQFVSA-N 2 0 293.455 1.707 10 0 CDAERP C[C@H]1C[C@@H]([NH3+])CC[C@@H]1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000055123293 524785210 /nfs/dbraw/zinc/78/52/10/524785210.db2.gz SDERAKWSXUZDGF-OBJOEFQTSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@H]1C[C@H](C(=O)N2CCC(C[NH+](C)C)CC2)CC[C@@H]1[NH3+] ZINC000055134896 524865611 /nfs/dbraw/zinc/86/56/11/524865611.db2.gz KYOAKANWXWWWQW-CFVMTHIKSA-N 2 0 281.444 1.550 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000070317326 524996493 /nfs/dbraw/zinc/99/64/93/524996493.db2.gz MCFNODFSRGGEOM-UMVBOHGHSA-N 2 0 269.433 1.741 10 0 CDAERP Cc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)CC[NH+](C)C)cc1 ZINC000049557492 525429922 /nfs/dbraw/zinc/42/99/22/525429922.db2.gz SQBKEXBESLXNNT-GJZGRUSLSA-N 2 0 280.412 1.665 10 0 CDAERP C[C@@](CCC[N@@H+]1CCCC(C)(C)C1)([NH2+]C1CC1)C(N)=O ZINC000069516438 525739372 /nfs/dbraw/zinc/73/93/72/525739372.db2.gz PYQIYYSWPMAPLU-INIZCTEOSA-N 2 0 281.444 1.885 10 0 CDAERP Cc1ccsc1C[NH2+]CCN1CCC[N@@H+](C)CC1 ZINC000049591413 525857995 /nfs/dbraw/zinc/85/79/95/525857995.db2.gz LXNYFLVRZGVUEF-UHFFFAOYSA-N 2 0 267.442 1.784 10 0 CDAERP [NH3+]C[C@@]1(N2CC[NH+](C3CCCC3)CC2)CCCSC1 ZINC000061590309 527222337 /nfs/dbraw/zinc/22/23/37/527222337.db2.gz WFBPWSFWZBYPKH-HNNXBMFYSA-N 2 0 283.485 1.771 10 0 CDAERP [NH3+]Cc1ccc(O[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000061702264 527257992 /nfs/dbraw/zinc/25/79/92/527257992.db2.gz DPTCAKRADCJFKU-HNNXBMFYSA-N 2 0 284.363 1.589 10 0 CDAERP Cc1nccn1CC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063200340 527424816 /nfs/dbraw/zinc/42/48/16/527424816.db2.gz PYCIKABDUQBHIP-HNNXBMFYSA-N 2 0 262.401 1.656 10 0 CDAERP CC1CC[NH+](C2CCC(NC(=O)NCCC[NH3+])CC2)CC1 ZINC000417934989 528228396 /nfs/dbraw/zinc/22/83/96/528228396.db2.gz YZRMQUWZJQTIII-UHFFFAOYSA-N 2 0 296.459 1.678 10 0 CDAERP CC(C)([NH3+])CNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000418414047 535201786 /nfs/dbraw/zinc/20/17/86/535201786.db2.gz KPMXRJNRTFDZKS-UHFFFAOYSA-N 2 0 282.432 1.241 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000165867636 535352196 /nfs/dbraw/zinc/35/21/96/535352196.db2.gz IVZDPKGKCQZTAZ-AWEZNQCLSA-N 2 0 267.417 1.367 10 0 CDAERP CC[NH+](CC)CCCNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000416822316 535513144 /nfs/dbraw/zinc/51/31/44/535513144.db2.gz VSVHHYDNQYQDBD-KBPBESRZSA-N 2 0 282.432 1.112 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH2+]Cc3ccccc32)C1 ZINC000250258840 535533727 /nfs/dbraw/zinc/53/37/27/535533727.db2.gz JKXZZTYIMXQMTM-ZBFHGGJFSA-N 2 0 287.407 1.474 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](c1cccs1)N(C)C ZINC000234791366 536850193 /nfs/dbraw/zinc/85/01/93/536850193.db2.gz FXZDSDKKINEGDW-STQMWFEESA-N 2 0 285.457 1.694 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H](c1cccs1)N(C)C ZINC000234788500 536850963 /nfs/dbraw/zinc/85/09/63/536850963.db2.gz FXZDSDKKINEGDW-QWHCGFSZSA-N 2 0 285.457 1.694 10 0 CDAERP CCCN1CC[C@H]([NH3+])C12CC[NH+](CC(C)C)CC2 ZINC000711957261 538140681 /nfs/dbraw/zinc/14/06/81/538140681.db2.gz QXJIDIMRIIVWDO-AWEZNQCLSA-N 2 0 253.434 1.920 10 0 CDAERP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ccoc2)CC1 ZINC000769948634 575401471 /nfs/dbraw/zinc/40/14/71/575401471.db2.gz QWWATNORTOPAEW-UHFFFAOYSA-N 2 0 265.401 1.785 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCCCCCO)CC1 ZINC000750185183 576981069 /nfs/dbraw/zinc/98/10/69/576981069.db2.gz CTCFXHJQRACLPL-KRWDZBQOSA-N 2 0 297.487 1.641 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)CCCC[NH+]1CCCC1 ZINC000756932719 577015339 /nfs/dbraw/zinc/01/53/39/577015339.db2.gz DNBHEHJROMMGCB-HNNXBMFYSA-N 2 0 281.444 1.805 10 0 CDAERP CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001688889278 1175052657 /nfs/dbraw/zinc/05/26/57/1175052657.db2.gz XMLQOMPNYBUQEN-UONOGXRCSA-N 2 0 267.417 1.271 10 0 CDAERP C[N@@H+](C/C=C\Cl)CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001689813236 1175267173 /nfs/dbraw/zinc/26/71/73/1175267173.db2.gz HZMMUKFGQVXFOV-YWEYNIOJSA-N 2 0 299.846 1.805 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]CCCOC[C@H]2CCOC2)C12CCC2 ZINC000925520063 617431209 /nfs/dbraw/zinc/43/12/09/617431209.db2.gz DWPHVUTXBDAZBI-MGPQQGTHSA-N 2 0 268.401 1.289 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]CC2(CCO)CCCC2)C12CCC2 ZINC000925526037 617448768 /nfs/dbraw/zinc/44/87/68/617448768.db2.gz HDSVREPQQKDZGD-CHWSQXEVSA-N 2 0 252.402 1.789 10 0 CDAERP CCCCOCCOCC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925527712 617454843 /nfs/dbraw/zinc/45/48/43/617454843.db2.gz WQZVKPNFIZCEDY-KGLIPLIRSA-N 2 0 270.417 1.679 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCN[C@@H]1CC[NH2+]C12CCC2 ZINC000925550477 617497777 /nfs/dbraw/zinc/49/77/77/617497777.db2.gz MVWYQYZKEDTFCK-UONOGXRCSA-N 2 0 251.418 1.735 10 0 CDAERP C[NH+]1CCN(CCC[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)CC1 ZINC000924578193 617531805 /nfs/dbraw/zinc/53/18/05/617531805.db2.gz LUUXNWKMWMQWPF-SJORKVTESA-N 2 0 295.471 1.419 10 0 CDAERP C[C@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H]1CC[C@@H](CO)CC1)[NH2+]2 ZINC000925606157 617549061 /nfs/dbraw/zinc/54/90/61/617549061.db2.gz HMCRUVXYHNANIE-XDSHMYFISA-N 2 0 252.402 1.656 10 0 CDAERP CC1(C)[C@H]([NH2+]CCNc2ccccn2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925624598 617571756 /nfs/dbraw/zinc/57/17/56/617571756.db2.gz YJEKOYKJNZIYAL-VHDGCEQUSA-N 2 0 274.412 1.860 10 0 CDAERP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)[C@@H](O)c1ccccc1 ZINC000925668439 617623587 /nfs/dbraw/zinc/62/35/87/617623587.db2.gz HFBVVFXDNBNENQ-ZGKBOVNRSA-N 2 0 260.381 1.968 10 0 CDAERP CCN(C)C(=O)[C@@H]([NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)C(C)C ZINC000925680969 617653944 /nfs/dbraw/zinc/65/39/44/617653944.db2.gz LUJNXFARCDUALN-AGIUHOORSA-N 2 0 267.417 1.349 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCC[C@H](CO)C1 ZINC000925689733 617688603 /nfs/dbraw/zinc/68/86/03/617688603.db2.gz IFZKSERYOIWKLO-LRRPLVQKSA-N 2 0 252.402 1.643 10 0 CDAERP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccsc1 ZINC000925809475 617750349 /nfs/dbraw/zinc/75/03/49/617750349.db2.gz ITRWVKXMFOAPRC-NSHDSACASA-N 2 0 253.415 1.822 10 0 CDAERP CC1(C)[C@H]([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925705151 617784859 /nfs/dbraw/zinc/78/48/59/617784859.db2.gz HZLPYVSYXZBXSJ-XGFWRYKXSA-N 3 0 251.418 1.480 10 0 CDAERP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000925825277 617805571 /nfs/dbraw/zinc/80/55/71/617805571.db2.gz YRTNRDFZSPNLEG-GBIHRFPISA-N 2 0 264.413 1.778 10 0 CDAERP CO[C@H](C)[C@@H](C)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925847482 617883689 /nfs/dbraw/zinc/88/36/89/617883689.db2.gz YAJHAEBSTMTKCZ-ZIAGYGMSSA-N 2 0 257.422 1.075 10 0 CDAERP O=C1O[C@@H](C[NH2+][C@@H]2CCCC23CCC3)CC12CC[NH2+]CC2 ZINC000925852071 617889363 /nfs/dbraw/zinc/88/93/63/617889363.db2.gz ZTEFIAJOYCCDMQ-ZIAGYGMSSA-N 2 0 292.423 1.984 10 0 CDAERP CC[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)C(C)C ZINC000925854108 617892001 /nfs/dbraw/zinc/89/20/01/617892001.db2.gz KQCQSEKXVOQAPK-CHWSQXEVSA-N 2 0 268.401 1.696 10 0 CDAERP CC[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)C1(C(=O)OC)CCC1 ZINC000925882257 617965556 /nfs/dbraw/zinc/96/55/56/617965556.db2.gz JRXCESBMVFBOGX-FRRDWIJNSA-N 2 0 268.401 1.825 10 0 CDAERP CC1(C)C[C@@H]([NH2+]CC[C@H]2CCCS2(=O)=O)C[C@@H]([NH3+])C1 ZINC000925762025 618123600 /nfs/dbraw/zinc/12/36/00/618123600.db2.gz GEZBZTQIVQVLDM-FRRDWIJNSA-N 2 0 288.457 1.449 10 0 CDAERP C[N@H+](C[C@H](O)CCC1(O)CCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000930459218 618164938 /nfs/dbraw/zinc/16/49/38/618164938.db2.gz GGTABESMODWTQC-VFSICIBPSA-N 2 0 296.455 1.600 10 0 CDAERP CCOC(=O)[C@@H]1C[C@H]1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000930459554 618169494 /nfs/dbraw/zinc/16/94/94/618169494.db2.gz HEHBGNQGLATJMO-DFKRWLTFSA-N 2 0 280.412 1.743 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCN1CCCCC1=O ZINC000924987998 618547872 /nfs/dbraw/zinc/54/78/72/618547872.db2.gz IZZBOTXFEXHFNI-MZBDJJRSSA-N 2 0 279.428 1.319 10 0 CDAERP C[C@@H]1C[N@H+](CC2=CCCOC2)CCN1c1cc[nH+]cc1 ZINC000895556517 619725855 /nfs/dbraw/zinc/72/58/55/619725855.db2.gz JIOCZLWTHYWBCD-CQSZACIVSA-N 2 0 273.380 1.939 10 0 CDAERP C[C@@H]1CN(Cc2cnc(N)s2)CCN1c1cc[nH+]cc1 ZINC000895558308 619726237 /nfs/dbraw/zinc/72/62/37/619726237.db2.gz VOTSKADXUNZGDW-LLVKDONJSA-N 2 0 289.408 1.831 10 0 CDAERP C[C@@H]1[C@H](NC(=O)N2CCC(CC[NH+](C)C)CC2)CC[N@@H+]1C ZINC000925320852 621528884 /nfs/dbraw/zinc/52/88/84/621528884.db2.gz NUAZMGOOSJILDF-UKRRQHHQSA-N 2 0 296.459 1.452 10 0 CDAERP CC(C)[C@H](C[NH2+][C@H](C)c1ccnnc1)N1CC[NH+](C)CC1 ZINC000924631853 621611016 /nfs/dbraw/zinc/61/10/16/621611016.db2.gz OYLUYGFEMVFMTC-ZBFHGGJFSA-N 2 0 291.443 1.399 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+][C@@H]2CO[C@H](C)[C@@H]2C)CC1 ZINC000924655200 621636592 /nfs/dbraw/zinc/63/65/92/621636592.db2.gz PIAGXMZRJWPDMF-RRFJBIMHSA-N 2 0 269.433 1.027 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC000898838330 621888096 /nfs/dbraw/zinc/88/80/96/621888096.db2.gz FFSKWLNLMCWNIY-CHWSQXEVSA-N 2 0 267.417 1.317 10 0 CDAERP O=C(NCCC[NH+]1CCCCC1)C12CC[NH+](CC1)C2 ZINC000899991364 622607939 /nfs/dbraw/zinc/60/79/39/622607939.db2.gz JWNQGPXBLQTPEC-UHFFFAOYSA-N 2 0 265.401 1.074 10 0 CDAERP C[NH+](C)Cc1cccc(NC(=O)C23CC[NH+](CC2)C3)c1 ZINC000900175184 622796838 /nfs/dbraw/zinc/79/68/38/622796838.db2.gz UKLJGKXVZSBETJ-UHFFFAOYSA-N 2 0 273.380 1.783 10 0 CDAERP CCCCN(C)C(=O)C1CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903433312 625990642 /nfs/dbraw/zinc/99/06/42/625990642.db2.gz ZMORXYMROMHEQV-ZBFHGGJFSA-N 2 0 295.471 1.812 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000903458635 625994479 /nfs/dbraw/zinc/99/44/79/625994479.db2.gz FXZMZUDGHGGSHJ-OEAJRASXSA-N 3 0 281.444 1.060 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CCc2ccccc2[C@@H]1C[NH3+] ZINC000903461276 625995841 /nfs/dbraw/zinc/99/58/41/625995841.db2.gz RPEUFZGBLLMSOL-INWMFGNUSA-N 2 0 259.397 1.400 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC(N3CCOC3=O)CC2)C1 ZINC000903464896 625996431 /nfs/dbraw/zinc/99/64/31/625996431.db2.gz ZBPHMTAUYRUSCM-NWDGAFQWSA-N 2 0 267.373 1.030 10 0 CDAERP CCOC(=O)C12CC(C1)C[N@@H+]2C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903464170 625996820 /nfs/dbraw/zinc/99/68/20/625996820.db2.gz CHXFJBNOMLXWPM-JJMZSNKZSA-N 2 0 252.358 1.141 10 0 CDAERP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903446180 625998990 /nfs/dbraw/zinc/99/89/90/625998990.db2.gz UPLCBCUIPPJRHT-PMPSAXMXSA-N 3 0 283.460 1.547 10 0 CDAERP Cc1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c(C)nn1 ZINC000903447151 625999545 /nfs/dbraw/zinc/99/95/45/625999545.db2.gz GXTMQGGNBXXOES-UHFFFAOYSA-N 2 0 260.385 1.669 10 0 CDAERP COC[C@@H](C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+])C(C)C ZINC000903449492 626000210 /nfs/dbraw/zinc/00/02/10/626000210.db2.gz DXJXEYYBBLUZEN-CABCVRRESA-N 2 0 299.459 1.225 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC(Cn3cncn3)CC2)C1 ZINC000903457032 626002591 /nfs/dbraw/zinc/00/25/91/626002591.db2.gz LBQPREJAURQFAW-UONOGXRCSA-N 2 0 263.389 1.118 10 0 CDAERP [NH3+]C[C@H]1Cc2ccccc2N(C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903476255 626005132 /nfs/dbraw/zinc/00/51/32/626005132.db2.gz RZMYHGDMNOZUQU-NFAWXSAZSA-N 2 0 259.397 1.751 10 0 CDAERP COc1cccc(OCC[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000903499208 626008982 /nfs/dbraw/zinc/00/89/82/626008982.db2.gz KKMSKSOKDSNZHW-ZIAGYGMSSA-N 2 0 278.396 1.991 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cccc(F)c1)C2 ZINC000903492660 626011081 /nfs/dbraw/zinc/01/10/81/626011081.db2.gz PHSKLMSFZJSNTO-BJJXKVORSA-N 2 0 292.354 1.538 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)C[C@H]1CC[NH3+] ZINC000903495081 626011852 /nfs/dbraw/zinc/01/18/52/626011852.db2.gz UDMLRVUELHHPEX-LJIZCISZSA-N 2 0 295.471 1.844 10 0 CDAERP C[C@H]1CC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CCO1 ZINC000903569939 626027885 /nfs/dbraw/zinc/02/78/85/626027885.db2.gz QBAVUAQOQSGYLY-BPUTZDHNSA-N 2 0 278.396 1.028 10 0 CDAERP Cc1cn(C)nc1C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000903765063 626083545 /nfs/dbraw/zinc/08/35/45/626083545.db2.gz XSVXQNFAVQVHAC-CYBMUJFWSA-N 2 0 262.401 1.693 10 0 CDAERP C([C@@H]1C[C@@]12CCOC2)[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903819901 626102675 /nfs/dbraw/zinc/10/26/75/626102675.db2.gz PNBMTTSVPVYTQZ-LSDHHAIUSA-N 2 0 280.412 1.258 10 0 CDAERP CCCCCN(CCO)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903878879 626130257 /nfs/dbraw/zinc/13/02/57/626130257.db2.gz MHYRUCMLFYBSQN-AWEZNQCLSA-N 2 0 295.431 1.187 10 0 CDAERP CC(C)[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)CC1CC1 ZINC000903885594 626133100 /nfs/dbraw/zinc/13/31/00/626133100.db2.gz MPEICSAFOACEAR-AWEZNQCLSA-N 2 0 277.416 1.823 10 0 CDAERP CCC(C)(C)[NH2+]C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903898372 626137549 /nfs/dbraw/zinc/13/75/49/626137549.db2.gz KKBFGPBXPRUVSQ-GFCCVEGCSA-N 2 0 252.406 1.624 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[NH2+]CCc2ccccc2)cnn1C ZINC000903923467 626148353 /nfs/dbraw/zinc/14/83/53/626148353.db2.gz UZFZJMIDRJJJOL-INIZCTEOSA-N 2 0 286.423 1.678 10 0 CDAERP [NH3+]C[C@@H]1CN(C[C@H]([NH3+])CC(F)F)C[C@@H]1C(F)(F)F ZINC000903937848 626155973 /nfs/dbraw/zinc/15/59/73/626155973.db2.gz SMCLDJFQHQNUOJ-PRJMDXOYSA-N 2 0 275.265 1.038 10 0 CDAERP COC(=O)[C@]12CCC[C@H]1C[N@H+](C[C@@]1(C)CC[NH2+]C1)C2 ZINC000903940162 626161336 /nfs/dbraw/zinc/16/13/36/626161336.db2.gz YXCLTLGNPFZXKC-QEJZJMRPSA-N 2 0 266.385 1.261 10 0 CDAERP CCC1([NH3+])CC[NH+](Cc2ccc(C(=O)NC)cc2)CC1 ZINC000903947501 626163467 /nfs/dbraw/zinc/16/34/67/626163467.db2.gz XVUUSXJJVPMTNL-UHFFFAOYSA-N 2 0 275.396 1.750 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)CC[NH2+]1 ZINC000903955045 626166480 /nfs/dbraw/zinc/16/64/80/626166480.db2.gz ZFENNUXIUNYDCZ-KBXIAJHMSA-N 2 0 252.402 1.875 10 0 CDAERP C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccncc2)C[C@H]1CC[NH3+] ZINC000903977347 626169979 /nfs/dbraw/zinc/16/99/79/626169979.db2.gz PIFZKVRFFPICGN-UKRRQHHQSA-N 2 0 299.422 1.899 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000903978270 626170071 /nfs/dbraw/zinc/17/00/71/626170071.db2.gz CRZYJRWSTGPVJM-NIFZNCRKSA-N 3 0 251.418 1.210 10 0 CDAERP [NH3+][C@H](CC(F)F)CN1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903983827 626173662 /nfs/dbraw/zinc/17/36/62/626173662.db2.gz MJNIUNYJIDORQO-PRJMDXOYSA-N 2 0 275.265 1.180 10 0 CDAERP CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](C[C@@]3(C)CC[NH2+]C3)C[C@@H]21 ZINC000903986615 626174341 /nfs/dbraw/zinc/17/43/41/626174341.db2.gz NCNICEBTVYXKNX-COMQUAJESA-N 2 0 266.385 1.117 10 0 CDAERP CC1(C)[C@H]([NH3+])C[C@@H]1c1nc(CC2CC[NH2+]CC2)no1 ZINC000905308134 626757442 /nfs/dbraw/zinc/75/74/42/626757442.db2.gz FWKMVKWDPBQWGZ-GHMZBOCLSA-N 2 0 264.373 1.453 10 0 CDAERP CC(C)[C@@H]([NH3+])C(C)(C)c1nc(CC2CC[NH2+]CC2)no1 ZINC000905308634 626757894 /nfs/dbraw/zinc/75/78/94/626757894.db2.gz OWIIPKUNBMZBQB-CYBMUJFWSA-N 2 0 280.416 1.873 10 0 CDAERP O=C(CCCC[NH+]1CCCC1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912920480 630289968 /nfs/dbraw/zinc/28/99/68/630289968.db2.gz WQORYZAVSVINLL-OAHLLOKOSA-N 2 0 279.428 1.559 10 0 CDAERP C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@@]2(C)C1 ZINC000913287871 630436211 /nfs/dbraw/zinc/43/62/11/630436211.db2.gz JXADDPYKPITLIC-BMFZPTHFSA-N 2 0 279.428 1.271 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC23CC[NH+](CC2)C3)C1 ZINC000913637121 630723300 /nfs/dbraw/zinc/72/33/00/630723300.db2.gz IAPLONCUIQLHBL-CYBMUJFWSA-N 2 0 265.401 1.073 10 0 CDAERP C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)C[NH+](C)C ZINC000914444371 631481905 /nfs/dbraw/zinc/48/19/05/631481905.db2.gz UDRSRGHUAVHHPG-CHWSQXEVSA-N 2 0 255.406 1.269 10 0 CDAERP COC1(CC[N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)CCC1 ZINC001654953157 1158613268 /nfs/dbraw/zinc/61/32/68/1158613268.db2.gz HWNRUXHSOQDNPP-KGLIPLIRSA-N 2 0 252.402 1.829 10 0 CDAERP CN(C[C@H]1CC[N@@H+]1CCCCCF)C(=O)[C@H]1CC[NH+](C)C1 ZINC001691413586 1159059752 /nfs/dbraw/zinc/05/97/52/1159059752.db2.gz RXRINMQZLQJZCP-LSDHHAIUSA-N 2 0 299.434 1.611 10 0 CDAERP CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001666902004 1158760447 /nfs/dbraw/zinc/76/04/47/1158760447.db2.gz AETFOITVEDNUKE-QWHCGFSZSA-N 2 0 255.406 1.316 10 0 CDAERP CC1=CC[NH+](CCNC(=O)[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001618612625 1165637786 /nfs/dbraw/zinc/63/77/86/1165637786.db2.gz MWRCCQCXFZKVMU-MRXNPFEDSA-N 2 0 293.455 1.875 10 0 CDAERP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001645818033 1167521853 /nfs/dbraw/zinc/52/18/53/1167521853.db2.gz TVQONZXMYCYCQD-WFASDCNBSA-N 2 0 297.362 1.043 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC001645879010 1167548250 /nfs/dbraw/zinc/54/82/50/1167548250.db2.gz AIHIEZZXVWDARP-ZIAGYGMSSA-N 2 0 279.428 1.496 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CC[C@H]2C[NH+](C)C[C@@H]21 ZINC001646954357 1168284987 /nfs/dbraw/zinc/28/49/87/1168284987.db2.gz VNSSVWSFOFYFSE-LJISPDSOSA-N 2 0 294.443 1.110 10 0 CDAERP CCCCC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001566719363 1168399628 /nfs/dbraw/zinc/39/96/28/1168399628.db2.gz KDAFWEOGUNXPPE-LSDHHAIUSA-N 2 0 281.444 1.755 10 0 CDAERP CCOCCC[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001567199294 1168616707 /nfs/dbraw/zinc/61/67/07/1168616707.db2.gz VFFPOUGVJHZECG-HNNXBMFYSA-N 2 0 299.459 1.288 10 0 CDAERP C[C@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CCCF ZINC001567230333 1168631385 /nfs/dbraw/zinc/63/13/85/1168631385.db2.gz FQIMOJMNXUPWAK-CHWSQXEVSA-N 2 0 273.396 1.172 10 0 CDAERP C[NH+]1C[C@]2(C)CN(C(=O)C34CCC[NH+]3CCC4)C[C@@]2(C)C1 ZINC001647427476 1168681021 /nfs/dbraw/zinc/68/10/21/1168681021.db2.gz FWNSHOVMZBOEJR-HZPDHXFCSA-N 2 0 291.439 1.415 10 0 CDAERP CCCC[NH2+][C@@H](CC)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001567984757 1169108676 /nfs/dbraw/zinc/10/86/76/1169108676.db2.gz SLZLEULAFAJIJP-KBPBESRZSA-N 2 0 269.433 1.613 10 0 CDAERP C[C@@H](C[NH2+]CCO)N(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001568288772 1169225752 /nfs/dbraw/zinc/22/57/52/1169225752.db2.gz OBZYHJXFKQKPIM-AWEZNQCLSA-N 2 0 299.459 1.070 10 0 CDAERP CCCCC[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001568797586 1169479453 /nfs/dbraw/zinc/47/94/53/1169479453.db2.gz IDQKEADHYKWDRV-CQSZACIVSA-N 2 0 269.433 1.566 10 0 CDAERP CCCC[NH2+]C/C=C/CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001568872021 1169527460 /nfs/dbraw/zinc/52/74/60/1169527460.db2.gz SCJBLSGCBWGINZ-SNAWJCMRSA-N 2 0 293.455 1.925 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCF ZINC001570512945 1170174890 /nfs/dbraw/zinc/17/48/90/1170174890.db2.gz NSRMOUKAPMFESV-QWHCGFSZSA-N 2 0 271.380 1.021 10 0 CDAERP C[NH+]1CCC2(CC1)CC[NH+](CC1=NOCC1)CC2 ZINC001654466052 1171615137 /nfs/dbraw/zinc/61/51/37/1171615137.db2.gz LWUZWTZDCHANEC-UHFFFAOYSA-N 2 0 251.374 1.571 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001656175575 1171783370 /nfs/dbraw/zinc/78/33/70/1171783370.db2.gz CKQSDIIVJJYYAK-SOUVJXGZSA-N 2 0 279.428 1.389 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001661818092 1172451341 /nfs/dbraw/zinc/45/13/41/1172451341.db2.gz IPMDDHDRCNRAQJ-GJZGRUSLSA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)CC[NH2+]C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001662642126 1172573695 /nfs/dbraw/zinc/57/36/95/1172573695.db2.gz ZTHAEPKRKVTGBU-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@@H+]1CC[C@](C)(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001671648687 1173700366 /nfs/dbraw/zinc/70/03/66/1173700366.db2.gz JRYYIYITGDQVDR-ZFWWWQNUSA-N 2 0 267.417 1.461 10 0 CDAERP CC[C@H](C(=O)N1CC[C@H](CC[NH2+]CCC2CC2)C1)[NH+](C)C ZINC001672897322 1173806484 /nfs/dbraw/zinc/80/64/84/1173806484.db2.gz PQPCGEDERWFEMW-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP CCCCC[NH2+][C@H](C)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001674774918 1174008433 /nfs/dbraw/zinc/00/84/33/1174008433.db2.gz SXJBLXYZGNHZEB-KGLIPLIRSA-N 2 0 269.433 1.755 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)CCC1CC1 ZINC001675044343 1174069368 /nfs/dbraw/zinc/06/93/68/1174069368.db2.gz WPOURPJCCUMRTF-TZMCWYRMSA-N 2 0 267.417 1.175 10 0 CDAERP CC(C)[NH2+][C@H](C)CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001676365434 1174216001 /nfs/dbraw/zinc/21/60/01/1174216001.db2.gz XMLRMSUKAMYKTR-KGLIPLIRSA-N 2 0 269.433 1.706 10 0 CDAERP CCC/C=C\CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001690366960 1175451459 /nfs/dbraw/zinc/45/14/59/1175451459.db2.gz WNSZKQTWXZJAOI-HKAJFOIISA-N 2 0 293.455 1.921 10 0 CDAERP C[C@@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH2+]CCCO ZINC001690595795 1175517343 /nfs/dbraw/zinc/51/73/43/1175517343.db2.gz GBAKMJQFTCCGQH-ZDUSSCGKSA-N 2 0 299.459 1.116 10 0 CDAERP CC(C)=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001691859696 1175637770 /nfs/dbraw/zinc/63/77/70/1175637770.db2.gz TYGXXLKTKYYBAH-XHSDSOJGSA-N 2 0 293.455 1.921 10 0 CDAERP CCC/C=C\CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001692375443 1175755336 /nfs/dbraw/zinc/75/53/36/1175755336.db2.gz XXQFDEWVPDZOJX-KQLNYGGHSA-N 2 0 293.455 1.970 10 0 CDAERP CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)[NH2+]CC1CC1 ZINC001698606537 1175869636 /nfs/dbraw/zinc/86/96/36/1175869636.db2.gz ZYINHOURWMKYJM-CHWSQXEVSA-N 2 0 255.406 1.221 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC[C@H](CC[NH2+]CC2CC2)C1 ZINC001698682640 1175893626 /nfs/dbraw/zinc/89/36/26/1175893626.db2.gz LTOKUICTNTVZOK-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP CCCC[NH2+]C[C@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001698746353 1175915061 /nfs/dbraw/zinc/91/50/61/1175915061.db2.gz RBGKYMBHQWMBOF-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001698841548 1175959086 /nfs/dbraw/zinc/95/90/86/1175959086.db2.gz OYMDNHLMCRTIGE-MJBXVCDLSA-N 2 0 269.433 1.563 10 0 CDAERP COCC[NH2+]CC[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001698923855 1175984947 /nfs/dbraw/zinc/98/49/47/1175984947.db2.gz VOQVGNNFAZCFIB-OAHLLOKOSA-N 2 0 297.443 1.089 10 0 CDAERP CC[C@H](C(=O)NCC1([NH2+]C(C)C)CC1)[NH+](CC)CC ZINC001699662057 1176557593 /nfs/dbraw/zinc/55/75/93/1176557593.db2.gz DKFSPDQWBSWVAJ-CYBMUJFWSA-N 2 0 269.433 1.754 10 0 CDAERP CCC[NH2+]C[C@@]1(C)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001699854985 1176657227 /nfs/dbraw/zinc/65/72/27/1176657227.db2.gz XYMUPWUDNGYWIA-GOEBONIOSA-N 2 0 281.444 1.566 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](CC[NH2+]CCF)C2)C1 ZINC001700079698 1176741518 /nfs/dbraw/zinc/74/15/18/1176741518.db2.gz QNHTUKYMIBNNSJ-ZIAGYGMSSA-N 2 0 285.407 1.126 10 0 CDAERP CCCC[NH2+]C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001700128631 1176760098 /nfs/dbraw/zinc/76/00/98/1176760098.db2.gz MFEMVNSFKKCNQL-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP CC[N@H+](C)CCC(=O)NC1CC(C[NH2+]CC=C(C)C)C1 ZINC001700381097 1176886268 /nfs/dbraw/zinc/88/62/68/1176886268.db2.gz OILFHITUWPBVOL-UHFFFAOYSA-N 2 0 281.444 1.779 10 0 CDAERP CCCC[C@@H](C[NH2+]CCF)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001700520840 1176993207 /nfs/dbraw/zinc/99/32/07/1176993207.db2.gz AVKVDLHBXIJKSY-STQMWFEESA-N 2 0 273.396 1.172 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[NH+](CCCOC)CC1(C)C ZINC001700577953 1177023956 /nfs/dbraw/zinc/02/39/56/1177023956.db2.gz GZWCAOAJKMNPBE-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCCF)C1 ZINC001700630769 1177043736 /nfs/dbraw/zinc/04/37/36/1177043736.db2.gz CBDYCFSOJBDYIU-RBSFLKMASA-N 2 0 299.434 1.703 10 0 CDAERP CC[N@H+](CCNC(=O)c1csc([C@H](C)N)n1)C1CC1 ZINC000219912808 1177905876 /nfs/dbraw/zinc/90/58/76/1177905876.db2.gz GJUKSYUPDTVHSY-VIFPVBQESA-N 2 0 282.413 1.377 10 0 CDAERP CCCC[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001712947552 1178260792 /nfs/dbraw/zinc/26/07/92/1178260792.db2.gz CNCYYDXDKWAURE-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP COCC[N@H+](C)CCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001712982932 1178285391 /nfs/dbraw/zinc/28/53/91/1178285391.db2.gz TZEWIVBWPLWJBT-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001713352917 1178515834 /nfs/dbraw/zinc/51/58/34/1178515834.db2.gz HZYUPYYTJOMVAR-UONOGXRCSA-N 2 0 269.433 1.422 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001713443293 1178561834 /nfs/dbraw/zinc/56/18/34/1178561834.db2.gz LLIDNBYLBOZHNX-KBPBESRZSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@H](CC(=O)Nc1ccccc1)[NH2+]CCC[NH+](C)C ZINC000237501430 1178700431 /nfs/dbraw/zinc/70/04/31/1178700431.db2.gz SJVQXFYISCSQON-CYBMUJFWSA-N 2 0 263.385 1.945 10 0 CDAERP CC(C)=CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001713838586 1178788015 /nfs/dbraw/zinc/78/80/15/1178788015.db2.gz TZAVOKRTPUTBJV-AWEZNQCLSA-N 2 0 267.417 1.483 10 0 CDAERP CCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001713941731 1178869633 /nfs/dbraw/zinc/86/96/33/1178869633.db2.gz LRQFKHZYQQLVDW-KKUMJFAQSA-N 2 0 279.428 1.413 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001714353788 1179102019 /nfs/dbraw/zinc/10/20/19/1179102019.db2.gz RRAMNSWLEGUTIA-UONOGXRCSA-N 2 0 267.417 1.319 10 0 CDAERP COCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001714432104 1179136382 /nfs/dbraw/zinc/13/63/82/1179136382.db2.gz IALZOGFCSABQAK-CABCVRRESA-N 2 0 297.443 1.040 10 0 CDAERP CC/C=C/CC[N@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001714599478 1179254185 /nfs/dbraw/zinc/25/41/85/1179254185.db2.gz ONNFDBQMAHUDRX-LFAOLKIESA-N 2 0 281.444 1.733 10 0 CDAERP CCOCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001714615743 1179268311 /nfs/dbraw/zinc/26/83/11/1179268311.db2.gz AEGOOBIIIKDBCL-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP CCC[NH2+]CCN(C)C(=O)c1sccc1C[NH+](C)C ZINC001714712967 1179352796 /nfs/dbraw/zinc/35/27/96/1179352796.db2.gz HQZWKIYSYMDDSZ-UHFFFAOYSA-N 2 0 283.441 1.881 10 0 CDAERP CC(C)C[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)C(C)C ZINC001714831296 1179414409 /nfs/dbraw/zinc/41/44/09/1179414409.db2.gz XYHHJCLYAWCMGR-HNNXBMFYSA-N 2 0 283.460 1.811 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCOCC ZINC001714849247 1179419362 /nfs/dbraw/zinc/41/93/62/1179419362.db2.gz ISMCSADLFFPPIC-GASCZTMLSA-N 2 0 297.443 1.040 10 0 CDAERP CCCC[NH2+][C@@H](CC)CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001715081863 1179544427 /nfs/dbraw/zinc/54/44/27/1179544427.db2.gz QBCGQCYYKARSCI-HOCLYGCPSA-N 2 0 281.444 1.757 10 0 CDAERP COCC[NH2+]C[C@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001715214449 1179579440 /nfs/dbraw/zinc/57/94/40/1179579440.db2.gz DHYDRSPGRIANHE-OAHLLOKOSA-N 2 0 297.443 1.089 10 0 CDAERP CCC[NH+]1CC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001715316280 1179619786 /nfs/dbraw/zinc/61/97/86/1179619786.db2.gz TUNKONPLGKJWID-UHFFFAOYSA-N 2 0 267.417 1.273 10 0 CDAERP C[C@@H](CC[NH2+]CC1CCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001716187687 1180089381 /nfs/dbraw/zinc/08/93/81/1180089381.db2.gz OVFHJCYDZAWHIP-ZDUSSCGKSA-N 2 0 279.428 1.367 10 0 CDAERP Cc1oncc1C[NH2+]C/C=C/CNC(=O)C[N@@H+](C)C(C)C ZINC001716378408 1180173621 /nfs/dbraw/zinc/17/36/21/1180173621.db2.gz IOROZNPZQITFKV-AATRIKPKSA-N 2 0 294.399 1.085 10 0 CDAERP C[C@H](C[NH2+]CC[C@@H]1CCCCO1)NC(=O)C[NH+]1CCCC1 ZINC001716423041 1180198131 /nfs/dbraw/zinc/19/81/31/1180198131.db2.gz BMCWHLDPXLCYGS-CABCVRRESA-N 2 0 297.443 1.136 10 0 CDAERP C[NH+](C)CCCCC(=O)N[C@H]1C[N@H+](CC2CC2)CC1(C)C ZINC001717588290 1180749960 /nfs/dbraw/zinc/74/99/60/1180749960.db2.gz XNVSOUPJLUXJND-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](F)C[NH2+]CCC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001717692028 1180792223 /nfs/dbraw/zinc/79/22/23/1180792223.db2.gz OJLHMDCAKVWVJO-ZIAGYGMSSA-N 2 0 299.434 1.705 10 0 CDAERP COCCC[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC000173558100 1181340523 /nfs/dbraw/zinc/34/05/23/1181340523.db2.gz DMPJMVHFTKELPP-HNNXBMFYSA-N 2 0 299.459 1.334 10 0 CDAERP CN(CCC[NH2+]CCF)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001723053080 1181514709 /nfs/dbraw/zinc/51/47/09/1181514709.db2.gz UPSVLBPJLBDWJF-KBPBESRZSA-N 2 0 285.407 1.411 10 0 CDAERP CC1CC(C[N@@H+]2CC[C@@H]2CNC(=O)CC[NH+](C)C)C1 ZINC001723454495 1181567891 /nfs/dbraw/zinc/56/78/91/1181567891.db2.gz ZDWSYIURDWVQMX-JXQTWKCFSA-N 2 0 267.417 1.175 10 0 CDAERP O=C(NCC1([NH2+]CCCF)CCC1)[C@H]1C[NH+]2CCC1CC2 ZINC001724786058 1181753147 /nfs/dbraw/zinc/75/31/47/1181753147.db2.gz NDWAZTVLDNCBAT-AWEZNQCLSA-N 2 0 297.418 1.316 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)[NH2+]CC1CCC1 ZINC001725106917 1181864624 /nfs/dbraw/zinc/86/46/24/1181864624.db2.gz KDMIUOMGXRVWFW-VXGBXAGGSA-N 2 0 255.406 1.221 10 0 CDAERP CC[NH2+]CCC[C@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001725385210 1181984031 /nfs/dbraw/zinc/98/40/31/1181984031.db2.gz BDEUREUGDJUZJA-KBPBESRZSA-N 2 0 269.433 1.755 10 0 CDAERP CC(C)OCC[NH2+][C@@H](C)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001725514536 1182032791 /nfs/dbraw/zinc/03/27/91/1182032791.db2.gz KHXPZSWFDXREHL-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)C1CC[NH+](CCOCC)CC1 ZINC001731352624 1182335192 /nfs/dbraw/zinc/33/51/92/1182335192.db2.gz OXIPLMNLEWVSPM-UHFFFAOYSA-N 2 0 299.459 1.288 10 0 CDAERP CCOCC[NH2+][C@H]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001731478585 1182410355 /nfs/dbraw/zinc/41/03/55/1182410355.db2.gz FAHXOJJWUONRCB-ZNMIVQPWSA-N 2 0 297.443 1.134 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCCF)C2)C1 ZINC001731490768 1182417353 /nfs/dbraw/zinc/41/73/53/1182417353.db2.gz SCFDXHFOXICLKP-XQLPTFJDSA-N 2 0 299.434 1.703 10 0 CDAERP O=C(CCCC[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+]CCF)C1 ZINC001731493612 1182419121 /nfs/dbraw/zinc/41/91/21/1182419121.db2.gz YOXLROQMNMYSGT-OKILXGFUSA-N 2 0 285.407 1.459 10 0 CDAERP CC/C=C\CC[NH2+][C@H](C)CCNC(=O)[C@H]1CN(C)CCO1 ZINC001731724141 1182532992 /nfs/dbraw/zinc/53/29/92/1182532992.db2.gz AITUZQXZTYUXLM-JBZXTQMFSA-N 2 0 297.443 1.158 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CCCNC(=O)Cc1c[nH]cn1 ZINC001731755890 1182551205 /nfs/dbraw/zinc/55/12/05/1182551205.db2.gz CHJSRDCANIYDLC-ZDUSSCGKSA-N 2 0 264.373 1.333 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]CC[C@@H](C)F)CC[N@@H+]1C ZINC001731913049 1182675077 /nfs/dbraw/zinc/67/50/77/1182675077.db2.gz IGXJTMPVSCTZAL-HZSPNIEDSA-N 2 0 287.423 1.513 10 0 CDAERP CC[C@H](F)C[NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001731939550 1182687077 /nfs/dbraw/zinc/68/70/77/1182687077.db2.gz CPEXLWKPGWQVDS-ZDUSSCGKSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)C[NH2+]CCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001731942774 1182690892 /nfs/dbraw/zinc/69/08/92/1182690892.db2.gz APMHDEDIGZUQNJ-HUUCEWRRSA-N 2 0 281.444 1.707 10 0 CDAERP CC/C=C\CC[NH+]1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001732135191 1182793304 /nfs/dbraw/zinc/79/33/04/1182793304.db2.gz WRIRITKERFPJPW-WAYWQWQTSA-N 2 0 267.417 1.342 10 0 CDAERP C[C@@H]1[C@H](C(=O)N[C@@](C)(C[NH2+]CCCF)C2CC2)CC[N@@H+]1C ZINC001732289704 1182895893 /nfs/dbraw/zinc/89/58/93/1182895893.db2.gz XMVXYOZITFYZTE-XPKDYRNWSA-N 2 0 299.434 1.561 10 0 CDAERP C[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1[NH2+]CCCF ZINC001732491255 1182988083 /nfs/dbraw/zinc/98/80/83/1182988083.db2.gz ZBOPMFUDNAHEOO-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP CC/C=C\CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001732754417 1183109891 /nfs/dbraw/zinc/10/98/91/1183109891.db2.gz QVRKKLJDTLBUIL-LUNKNMTDSA-N 2 0 281.444 1.779 10 0 CDAERP C[C@@H](C[NH2+]CCC1CC1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001732999258 1183230297 /nfs/dbraw/zinc/23/02/97/1183230297.db2.gz TZWHKIATLFFTEP-ZFWWWQNUSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@H](C(=O)N[C@H](C[NH2+]CC1CC1)C1CC1)[NH+](C)C ZINC001733187465 1183323617 /nfs/dbraw/zinc/32/36/17/1183323617.db2.gz NSEWNLVYJTXWPA-ZIAGYGMSSA-N 2 0 267.417 1.221 10 0 CDAERP O=C(N1CCC[C@H]1C[NH2+]CCF)C12CCC[NH+](CCC1)C2 ZINC001733342440 1183403542 /nfs/dbraw/zinc/40/35/42/1183403542.db2.gz ANEKMUOLYQOYEB-AWEZNQCLSA-N 2 0 297.418 1.413 10 0 CDAERP C[C@]1(NC(=O)C[NH+]2CCCC2)CC[N@H+](CCCCCF)C1 ZINC001733410592 1183424553 /nfs/dbraw/zinc/42/45/53/1183424553.db2.gz CPJJGIGPHILCMX-INIZCTEOSA-N 2 0 299.434 1.803 10 0 CDAERP CC(C)CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001733445673 1183435402 /nfs/dbraw/zinc/43/54/02/1183435402.db2.gz QTLHXTNDOXAZHR-WBVHZDCISA-N 2 0 295.471 1.812 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H]([NH2+]CCOC(C)C)C1 ZINC001733852787 1183549933 /nfs/dbraw/zinc/54/99/33/1183549933.db2.gz HZHHCJOQXJGRNA-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP CC/C=C/CC[NH2+]CC1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001733957622 1183585039 /nfs/dbraw/zinc/58/50/39/1183585039.db2.gz DDNZNESHDMXZKR-IOIJPATLSA-N 2 0 293.455 1.779 10 0 CDAERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H](C)[NH2+]CC1CCC1 ZINC001734000757 1183609930 /nfs/dbraw/zinc/60/99/30/1183609930.db2.gz GBXMBRYNAUMDCV-CHWSQXEVSA-N 2 0 267.417 1.365 10 0 CDAERP CCCC[C@H](C[NH2+]C(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001734098227 1183657909 /nfs/dbraw/zinc/65/79/09/1183657909.db2.gz WDHRUTYQAVZYBK-UONOGXRCSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)=CC[NH+]1CC([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001734125493 1183668405 /nfs/dbraw/zinc/66/84/05/1183668405.db2.gz ISVGPBYSQIGDOV-CQSZACIVSA-N 2 0 279.428 1.485 10 0 CDAERP C[C@H]1C[C@H]([NH2+]CCF)CN1C(=O)CCCC[NH+](C)C ZINC001734426264 1183774775 /nfs/dbraw/zinc/77/47/75/1183774775.db2.gz LFOZDPDNVCTTTH-STQMWFEESA-N 2 0 273.396 1.267 10 0 CDAERP CC[NH+]1CCC(CNC(=[NH2+])NCCC2CC2)CC1 ZINC000864456052 1164545361 /nfs/dbraw/zinc/54/53/61/1164545361.db2.gz FIGLSAOTBXMQBI-UHFFFAOYSA-N 2 0 252.406 1.632 10 0 CDAERP CC(C)(C)CNC(=O)CN1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866706747 1164811953 /nfs/dbraw/zinc/81/19/53/1164811953.db2.gz CQMBXBFQDKKZIN-INIZCTEOSA-N 2 0 283.460 1.846 10 0 CDAERP O=C1O[C@H](C[NH2+][C@@H]2CC[C@H]2C2CCC2)CC12CC[NH2+]CC2 ZINC000925849324 818005337 /nfs/dbraw/zinc/00/53/37/818005337.db2.gz HZRXDJCWPYJDJL-SOUVJXGZSA-N 2 0 292.423 1.840 10 0 CDAERP CC(C)CCOC1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923307105 818054767 /nfs/dbraw/zinc/05/47/67/818054767.db2.gz URGLHPDDBIORAF-MRXNPFEDSA-N 2 0 296.455 1.892 10 0 CDAERP CC[C@H](c1ccc(F)cc1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923461454 818078626 /nfs/dbraw/zinc/07/86/26/818078626.db2.gz NYKKPAPRZNRUKD-OAHLLOKOSA-N 2 0 265.376 1.772 10 0 CDAERP [NH3+]C[C@H]1CN(CCc2cn[nH]c2)C[C@H]1C(F)(F)F ZINC000720828493 818147092 /nfs/dbraw/zinc/14/70/92/818147092.db2.gz PYASWKYNTSRDPN-VHSXEESVSA-N 2 0 262.279 1.021 10 0 CDAERP CC[NH2+]Cc1cccc(NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)c1 ZINC000872255813 818205977 /nfs/dbraw/zinc/20/59/77/818205977.db2.gz GESZZMJKFXTQSX-WWGRRREGSA-N 2 0 273.380 1.862 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1CCCN2CCSC[C@H]12 ZINC000928101251 818256485 /nfs/dbraw/zinc/25/64/85/818256485.db2.gz XIMRPANWCLIKKE-CHWSQXEVSA-N 2 0 285.457 1.024 10 0 CDAERP C[C@@H]([NH2+]C1CC1)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000852860823 818256745 /nfs/dbraw/zinc/25/67/45/818256745.db2.gz WDHXZJOIOIUROD-IAQYHMDHSA-N 2 0 289.379 1.427 10 0 CDAERP CN1Cc2ccccc2[C@@H]1CNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000867999196 818257831 /nfs/dbraw/zinc/25/78/31/818257831.db2.gz UPEBNXQFXYIRIA-BQFCYCMXSA-N 2 0 299.418 1.679 10 0 CDAERP COCC1(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CCOCC1 ZINC000925673449 818284509 /nfs/dbraw/zinc/28/45/09/818284509.db2.gz NNWLQSYIFABYTP-ZIAGYGMSSA-N 2 0 284.444 1.925 10 0 CDAERP CN(CCC[NH+](C)C)CCNC(=O)/C=C/c1cccs1 ZINC000855414567 818321885 /nfs/dbraw/zinc/32/18/85/818321885.db2.gz HOMHYIZBFFOZGG-BQYQJAHWSA-N 2 0 295.452 1.761 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000852861588 818326497 /nfs/dbraw/zinc/32/64/97/818326497.db2.gz XBLPZZKICBJTKL-INIZCTEOSA-N 2 0 291.439 1.773 10 0 CDAERP COC(=O)c1cc(C[N@H+](C)CCOCC[NH3+])ccc1C ZINC000872145312 818360534 /nfs/dbraw/zinc/36/05/34/818360534.db2.gz OYQVDCKOPCQPRA-UHFFFAOYSA-N 2 0 280.368 1.189 10 0 CDAERP O=C1O[C@H](C[NH2+][C@@H](C2CC2)C2CCC2)CC12CC[NH2+]CC2 ZINC000925849261 818367432 /nfs/dbraw/zinc/36/74/32/818367432.db2.gz NRZLNJQOGRBYNB-LSDHHAIUSA-N 2 0 292.423 1.840 10 0 CDAERP C[C@@H](C[NH2+]C[C@H](O)c1ccc(F)cn1)C[NH+]1CCCCC1 ZINC000818969085 818388521 /nfs/dbraw/zinc/38/85/21/818388521.db2.gz KURVYRDSCIOIFD-BBRMVZONSA-N 2 0 295.402 1.966 10 0 CDAERP C[NH+](C)C[C@@H]1CN(C(=O)OC2CCCC2)C[C@H]1C[NH+](C)C ZINC000867589874 818406965 /nfs/dbraw/zinc/40/69/65/818406965.db2.gz MUZQGOAJRVGLBW-ZIAGYGMSSA-N 2 0 297.443 1.737 10 0 CDAERP C[C@H]([NH2+]C[C@]1(C(F)(F)F)CCCN1)C1CC[NH+](C)CC1 ZINC000925854312 818410998 /nfs/dbraw/zinc/41/09/98/818410998.db2.gz DLCKKDWERRMOJE-AAEUAGOBSA-N 2 0 293.377 1.991 10 0 CDAERP CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000063124082 818417842 /nfs/dbraw/zinc/41/78/42/818417842.db2.gz YVVGRMBZTMGAQD-WCQYABFASA-N 2 0 255.406 1.160 10 0 CDAERP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712627110 818490943 /nfs/dbraw/zinc/49/09/43/818490943.db2.gz QQYNAGNQYKKREC-QWHCGFSZSA-N 2 0 267.417 1.317 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H](CO)C2CCOCC2)C1 ZINC000925657552 818516719 /nfs/dbraw/zinc/51/67/19/818516719.db2.gz UBHFTCKGIVIWSJ-MGPQQGTHSA-N 2 0 270.417 1.270 10 0 CDAERP CCc1noc([C@@H]2CC[C@@H]([NH2+][C@@H](C)C3C[NH2+]C3)C2)n1 ZINC000925872625 818565026 /nfs/dbraw/zinc/56/50/26/818565026.db2.gz IINLAHLJIGITBN-HOSYDEDBSA-N 2 0 264.373 1.466 10 0 CDAERP Cc1cc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)c(C)cn1 ZINC000930628316 818577379 /nfs/dbraw/zinc/57/73/79/818577379.db2.gz YMHYSPMWRIILEQ-NEPJUHHUSA-N 2 0 262.357 1.334 10 0 CDAERP COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CCCCCC[NH3+] ZINC000846221472 818579945 /nfs/dbraw/zinc/57/99/45/818579945.db2.gz ZBDOCEGLRLQDFS-IHRRRGAJSA-N 2 0 268.401 1.779 10 0 CDAERP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000866710880 818583818 /nfs/dbraw/zinc/58/38/18/818583818.db2.gz WXDNVOIIKDTZRJ-HZSPNIEDSA-N 2 0 279.384 1.044 10 0 CDAERP C[C@H](O)C[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1CCCCC1 ZINC000923313369 818710394 /nfs/dbraw/zinc/71/03/94/818710394.db2.gz XKAJAWLEOOVIOW-ZFWWWQNUSA-N 2 0 282.428 1.380 10 0 CDAERP CC1(C)[C@H](N[C@H]2CCC[NH2+]CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925700293 818719212 /nfs/dbraw/zinc/71/92/12/818719212.db2.gz OZQIKMWGKAKZNN-RFQIPJPRSA-N 2 0 251.418 1.495 10 0 CDAERP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000716631003 818793831 /nfs/dbraw/zinc/79/38/31/818793831.db2.gz AYEJIHFXOUTNFD-ARILJUKYSA-N 2 0 252.402 1.325 10 0 CDAERP C[C@H](O)CCC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925658840 818803154 /nfs/dbraw/zinc/80/31/54/818803154.db2.gz VWZQQIHFQXZDPE-QEJZJMRPSA-N 2 0 254.418 1.905 10 0 CDAERP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccnc(F)c1 ZINC000858133093 818810574 /nfs/dbraw/zinc/81/05/74/818810574.db2.gz KFUYYWYRUZWTQW-CQSZACIVSA-N 2 0 281.375 1.547 10 0 CDAERP CC[NH+]1CCC(C[NH2+]C[C@@H](O)c2ccc(F)cn2)CC1 ZINC000818974200 818836706 /nfs/dbraw/zinc/83/67/06/818836706.db2.gz HGBQPEOLQINWON-OAHLLOKOSA-N 2 0 281.375 1.576 10 0 CDAERP CC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)[C@H]1CCCOC1 ZINC000872021665 818852902 /nfs/dbraw/zinc/85/29/02/818852902.db2.gz FAUMGJRFTHOONH-IKGGRYGDSA-N 2 0 297.487 1.807 10 0 CDAERP COC1(OC)CC[C@@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000926558872 818864916 /nfs/dbraw/zinc/86/49/16/818864916.db2.gz KJKPZFQBKXHOEW-ZDUSSCGKSA-N 2 0 256.390 1.602 10 0 CDAERP CN(C(=O)CCCCCC[NH3+])[C@H]1C[NH+]2CCC1CC2 ZINC000311640773 818865547 /nfs/dbraw/zinc/86/55/47/818865547.db2.gz CABWOQRWYKVVJZ-AWEZNQCLSA-N 2 0 267.417 1.448 10 0 CDAERP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000925700902 818875544 /nfs/dbraw/zinc/87/55/44/818875544.db2.gz UBEUAWMWYQHPSU-AAVRWANBSA-N 3 0 251.418 1.611 10 0 CDAERP C[N@H+](CCNC(=O)C=C1CC[NH2+]CC1)Cc1ccccc1 ZINC000852862154 818882510 /nfs/dbraw/zinc/88/25/10/818882510.db2.gz VBBBHULREFKMBB-UHFFFAOYSA-N 2 0 287.407 1.544 10 0 CDAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CCO[C@@H]1CC1(F)F)CC2 ZINC000923449788 818902503 /nfs/dbraw/zinc/90/25/03/818902503.db2.gz CBANWBQQILNWIY-NWDGAFQWSA-N 2 0 290.354 1.240 10 0 CDAERP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923499886 818904982 /nfs/dbraw/zinc/90/49/82/818904982.db2.gz UYNPZVBFRVGIKZ-AGIUHOORSA-N 2 0 255.406 1.158 10 0 CDAERP c1cc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)sn1 ZINC000925732677 818924124 /nfs/dbraw/zinc/92/41/24/818924124.db2.gz QZPHBPKQSSDLQA-HZSPNIEDSA-N 2 0 281.425 1.432 10 0 CDAERP C[NH+](C)CC1CC[NH+](CCc2ccns2)CC1 ZINC000929283993 818935904 /nfs/dbraw/zinc/93/59/04/818935904.db2.gz XTNFWCICCFBCCN-UHFFFAOYSA-N 2 0 253.415 1.959 10 0 CDAERP CCO[C@H](CN[C@H]1CCCCC[C@@H]1[NH3+])C[NH+](C)C ZINC000925838168 818970138 /nfs/dbraw/zinc/97/01/38/818970138.db2.gz KDVBOXAMJPRFJB-RDBSUJKOSA-N 2 0 257.422 1.203 10 0 CDAERP CC1(C)CO[C@H](C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)C1 ZINC000715024496 818973852 /nfs/dbraw/zinc/97/38/52/818973852.db2.gz VTRJMYXPPKISIC-IHRRRGAJSA-N 2 0 252.402 1.875 10 0 CDAERP CC(C)(C)CC[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863643304 819008934 /nfs/dbraw/zinc/00/89/34/819008934.db2.gz KILAQYUVDYSTRY-KGLIPLIRSA-N 2 0 295.427 1.680 10 0 CDAERP c1cnc(NCC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)cn1 ZINC000925556452 819045027 /nfs/dbraw/zinc/04/50/27/819045027.db2.gz LFMNZZRMCQHFFG-CABCVRRESA-N 2 0 289.427 1.646 10 0 CDAERP C[C@@H]1COC[C@@H](C)C1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000926113052 819060349 /nfs/dbraw/zinc/06/03/49/819060349.db2.gz BIFPZDSMAZPQSR-CHWSQXEVSA-N 2 0 254.418 1.979 10 0 CDAERP C[C@@H](NC(=O)NC1CCC([NH+]2CCCCC2)CC1)[C@H](C)[NH3+] ZINC000841856612 819077982 /nfs/dbraw/zinc/07/79/82/819077982.db2.gz XTDGAJZTTOXBIU-ZUJMUWTESA-N 2 0 296.459 1.818 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000713036505 819098694 /nfs/dbraw/zinc/09/86/94/819098694.db2.gz ASUZNYVHJCMJKA-IHRRRGAJSA-N 2 0 283.460 1.985 10 0 CDAERP C[C@@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)[C@@H]1CCCC[NH2+]1 ZINC000925831895 819105533 /nfs/dbraw/zinc/10/55/33/819105533.db2.gz PPJCRMZCZCDGRU-SEBNEYGDSA-N 2 0 250.386 1.698 10 0 CDAERP C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)CO1)C1C[NH2+]C1 ZINC000925736735 819106045 /nfs/dbraw/zinc/10/60/45/819106045.db2.gz ODQDDPIDTMVZIY-GXTWGEPZSA-N 2 0 268.401 1.160 10 0 CDAERP COCC[N@H+](C)CCCN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925542954 819150289 /nfs/dbraw/zinc/15/02/89/819150289.db2.gz JGUSEOBNXIYIJU-ILXRZTDVSA-N 2 0 283.460 1.321 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H](CCO)C2CCOCC2)C1 ZINC000925639105 819219490 /nfs/dbraw/zinc/21/94/90/819219490.db2.gz JEJVINPYUPWPFN-KFWWJZLASA-N 2 0 284.444 1.660 10 0 CDAERP COCC[N@H+](C[C@@H]1CCCC[NH2+]C1)C1CCOCC1 ZINC000716412344 819239223 /nfs/dbraw/zinc/23/92/23/819239223.db2.gz HGGHJRBRZIZFET-CQSZACIVSA-N 2 0 270.417 1.504 10 0 CDAERP O=C(N1CC[C@]2(CCC[NH2+]2)C1)C1([NH2+]C2CC2)CCC1 ZINC000852893183 819250536 /nfs/dbraw/zinc/25/05/36/819250536.db2.gz SBBRWGRRCKFGAR-CQSZACIVSA-N 2 0 263.385 1.016 10 0 CDAERP C[N@H+](CCCCCC[NH3+])CC(=O)NC(=O)NC(C)(C)C ZINC000710695353 819253015 /nfs/dbraw/zinc/25/30/15/819253015.db2.gz UFPKSVZVGSMDMM-UHFFFAOYSA-N 2 0 286.420 1.062 10 0 CDAERP C[C@@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH+]1CCCC1 ZINC000810093544 819357142 /nfs/dbraw/zinc/35/71/42/819357142.db2.gz HMBGXXIZTITJBJ-BBRMVZONSA-N 2 0 299.434 1.799 10 0 CDAERP C(COC1CCOCC1)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925878000 819398699 /nfs/dbraw/zinc/39/86/99/819398699.db2.gz OPRVWABEGWKSRY-IAGOWNOFSA-N 2 0 296.455 1.940 10 0 CDAERP C[N@H+](CCc1ccccc1F)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923308405 819487198 /nfs/dbraw/zinc/48/71/98/819487198.db2.gz BILKODQKCRXMRW-CQSZACIVSA-N 2 0 278.371 1.679 10 0 CDAERP [NH3+]C[C@H]1C[N@H+](CCCC2CC[NH2+]CC2)C[C@@H]1C(F)(F)F ZINC000872149860 819746905 /nfs/dbraw/zinc/74/69/05/819746905.db2.gz RHICKQBNSFFWGL-STQMWFEESA-N 3 0 293.377 1.835 10 0 CDAERP CN(CCC[NH+]1CCCC1)C[C@@H](O)c1ccc(F)cn1 ZINC000799325024 819781162 /nfs/dbraw/zinc/78/11/62/819781162.db2.gz UXKWQEDLMPPWNI-OAHLLOKOSA-N 2 0 281.375 1.672 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711350119 819810349 /nfs/dbraw/zinc/81/03/49/819810349.db2.gz VCGKTNSVZMJZET-STQMWFEESA-N 2 0 269.433 1.325 10 0 CDAERP C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]C1CC(CC(N)=O)C1 ZINC000925820599 819820384 /nfs/dbraw/zinc/82/03/84/819820384.db2.gz DOVVXWSHITVOKL-VYESFELBSA-N 2 0 275.396 1.189 10 0 CDAERP CCNC(=O)C1(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)CCC1 ZINC000925649744 819830320 /nfs/dbraw/zinc/83/03/20/819830320.db2.gz IRRNEAOYKZZVHM-VXGBXAGGSA-N 2 0 265.401 1.152 10 0 CDAERP C[NH+](C)CCOCC[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000721572987 819836224 /nfs/dbraw/zinc/83/62/24/819836224.db2.gz VLMKPSJRLYTACW-KBPBESRZSA-N 2 0 272.433 1.748 10 0 CDAERP [NH3+]Cc1cccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000094456988 819838543 /nfs/dbraw/zinc/83/85/43/819838543.db2.gz DSSLWRCXASHIPY-CQSZACIVSA-N 2 0 259.353 1.066 10 0 CDAERP C[C@@H](CNC(=O)C=C1CC[NH2+]CC1)[NH+]1CCC(C)CC1 ZINC000852863090 819838784 /nfs/dbraw/zinc/83/87/84/819838784.db2.gz KUGDPYDDQRCXQU-AWEZNQCLSA-N 2 0 279.428 1.533 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)C=C1CC[NH2+]CC1 ZINC000852886192 819845375 /nfs/dbraw/zinc/84/53/75/819845375.db2.gz ZAPLQXUVJIRTLY-ZDUSSCGKSA-N 2 0 267.417 1.533 10 0 CDAERP CC[C@@H](CNC(=[NH2+])NCCC1CC1)[NH+]1CCCC1 ZINC000864453877 819863328 /nfs/dbraw/zinc/86/33/28/819863328.db2.gz QNRLCTCWKXJHNE-ZDUSSCGKSA-N 2 0 252.406 1.775 10 0 CDAERP COc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000251795938 819867801 /nfs/dbraw/zinc/86/78/01/819867801.db2.gz NRHZKKORDKWBOW-OLZOCXBDSA-N 2 0 291.395 1.550 10 0 CDAERP CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000925328470 819882348 /nfs/dbraw/zinc/88/23/48/819882348.db2.gz JHDMNUNYFYDEBI-MGPQQGTHSA-N 2 0 282.432 1.251 10 0 CDAERP C[NH+]1C[C@@]2(C)CN(CC[NH+]3CCCC3)C[C@]2(C)C1 ZINC000931315848 819883553 /nfs/dbraw/zinc/88/35/53/819883553.db2.gz CBTKVYVXCFCORH-GJZGRUSLSA-N 2 0 251.418 1.356 10 0 CDAERP C[N@H+](CCOCC[NH3+])C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000721476611 819967448 /nfs/dbraw/zinc/96/74/48/819967448.db2.gz DQPDPTVUVJKHHD-UWVGGRQHSA-N 2 0 270.295 1.003 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)N(C)C[C@H](C)[NH3+])cc1 ZINC000861641932 820029977 /nfs/dbraw/zinc/02/99/77/820029977.db2.gz QFTNRKCQRUGXAB-WDEREUQCSA-N 2 0 264.373 1.195 10 0 CDAERP C[C@@H](C(=O)NC1CCCCC1)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923504866 820030247 /nfs/dbraw/zinc/03/02/47/820030247.db2.gz VEIZQKVXVSXPHV-RDBSUJKOSA-N 2 0 281.444 1.741 10 0 CDAERP [NH3+][C@H](C(=O)N1CC[C@H]([NH3+])C1)c1cccc(Br)c1 ZINC000870934492 820039581 /nfs/dbraw/zinc/03/95/81/820039581.db2.gz PKKLCCYVLPROPZ-QWRGUYRKSA-N 2 0 298.184 1.009 10 0 CDAERP CC[N@H+](C)C[C@H]1CCN(C[C@@](O)(CC)C(F)(F)F)C1 ZINC000929788659 820092231 /nfs/dbraw/zinc/09/22/31/820092231.db2.gz ASJJGTYJFHOMML-NEPJUHHUSA-N 2 0 282.350 1.963 10 0 CDAERP C[N@@H+]1CCN(C(=O)CC[C@@H]2CCC[NH2+]C2)CCC1(C)C ZINC000712691195 820121320 /nfs/dbraw/zinc/12/13/20/820121320.db2.gz UKUHZSSRSLXGKR-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000846206805 820181728 /nfs/dbraw/zinc/18/17/28/820181728.db2.gz TZTMWJUDQMQNDP-ZDUSSCGKSA-N 2 0 290.411 1.286 10 0 CDAERP O=C(CC[NH2+]CC1CC1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000870951405 820185863 /nfs/dbraw/zinc/18/58/63/820185863.db2.gz RZWHLRWTPYDKKH-MRXNPFEDSA-N 2 0 293.455 1.614 10 0 CDAERP C[C@@H](CN[C@H]1CC[NH2+]C12CCCC2)C[NH+]1CCN(C)CC1 ZINC000925489009 820224338 /nfs/dbraw/zinc/22/43/38/820224338.db2.gz IFEFFRYBEQNCLJ-HOTGVXAUSA-N 2 0 294.487 1.134 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CC[NH+](C2CCCC2)CC1 ZINC000111273505 820330885 /nfs/dbraw/zinc/33/08/85/820330885.db2.gz SEYNRPLXDQKUPI-KGLIPLIRSA-N 2 0 251.418 1.402 10 0 CDAERP C[NH+](C)CCc1ccc(C[NH2+]C[C@@H](O)C2CC2)cc1 ZINC000819251862 820347871 /nfs/dbraw/zinc/34/78/71/820347871.db2.gz LTZVINZAGQZDII-MRXNPFEDSA-N 2 0 262.397 1.651 10 0 CDAERP Cc1cc([C@@H]([NH3+])CC(=O)N2CC[C@H](C[NH3+])C2)cc(Cl)n1 ZINC000832554990 820364652 /nfs/dbraw/zinc/36/46/52/820364652.db2.gz WWKQCNOAXGOBMH-PWSUYJOCSA-N 2 0 296.802 1.241 10 0 CDAERP C[N@@H+]1CCN(C(=O)C[C@H]([NH3+])C2CC2)CCC1(C)C ZINC000712672108 820389968 /nfs/dbraw/zinc/38/99/68/820389968.db2.gz GOHZBIZUFAYVHX-LBPRGKRZSA-N 2 0 253.390 1.057 10 0 CDAERP C[C@H](CNC(=[NH2+])N[C@H]1C[C@H]1C)[NH+]1CCC(C)CC1 ZINC000864455919 820573804 /nfs/dbraw/zinc/57/38/04/820573804.db2.gz CYGOODQAVOUVLM-UPJWGTAASA-N 2 0 252.406 1.629 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)[C@H](O)c1cccc(F)c1 ZINC000817919499 820626900 /nfs/dbraw/zinc/62/69/00/820626900.db2.gz RXABFUNNCWUEOK-CQDKDKBSSA-N 2 0 284.375 1.591 10 0 CDAERP Cc1n[nH]cc1[C@@H](C)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925845357 820742222 /nfs/dbraw/zinc/74/22/22/820742222.db2.gz PPQHCSSOFQUADU-CYBMUJFWSA-N 2 0 279.432 1.444 10 0 CDAERP Cc1cc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)c(C)nn1 ZINC000930504335 820801170 /nfs/dbraw/zinc/80/11/70/820801170.db2.gz WSRHNEHZZLYXCV-UHFFFAOYSA-N 2 0 293.459 1.409 10 0 CDAERP C[NH+](C)C(C)(C)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810023054 820833919 /nfs/dbraw/zinc/83/39/19/820833919.db2.gz SGDWKQQOPONOBE-HNNXBMFYSA-N 2 0 287.423 1.655 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000852890807 820835413 /nfs/dbraw/zinc/83/54/13/820835413.db2.gz MDCWVERPVMWMTL-CABCVRRESA-N 2 0 277.412 1.287 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000715389161 820837889 /nfs/dbraw/zinc/83/78/89/820837889.db2.gz XJXSUGVDNNLSFT-GDBMZVCRSA-N 2 0 281.444 1.614 10 0 CDAERP NC(=O)c1ccc(CC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000866717506 820849356 /nfs/dbraw/zinc/84/93/56/820849356.db2.gz GUALSCVKIGFLGO-HZPDHXFCSA-N 2 0 287.407 1.402 10 0 CDAERP C[NH+](C)CCCC[NH2+]Cc1cc2c(cc[nH]c2=O)o1 ZINC000865436200 820859918 /nfs/dbraw/zinc/85/99/18/820859918.db2.gz WYUSKBKSHJGQFM-UHFFFAOYSA-N 2 0 263.341 1.965 10 0 CDAERP CC1(C)C[C@@H]([NH2+]CCOc2cccnc2)C[C@@H]([NH3+])C1 ZINC000925488782 820865706 /nfs/dbraw/zinc/86/57/06/820865706.db2.gz LJMSPWSSKDYAQI-OLZOCXBDSA-N 2 0 263.385 1.956 10 0 CDAERP CC(C)(O)C[C@H](O)C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000871964856 820951351 /nfs/dbraw/zinc/95/13/51/820951351.db2.gz CMAXIHATQJSAMP-LBPRGKRZSA-N 2 0 272.433 1.407 10 0 CDAERP [NH3+]C[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)C[C@@H]1C(F)(F)F ZINC000872152392 820991052 /nfs/dbraw/zinc/99/10/52/820991052.db2.gz QOWARTVFSPZFQF-UTUOFQBUSA-N 3 0 279.350 1.445 10 0 CDAERP C[C@H](CNC(=[NH2+])N1CCO[C@H](C)C1)C[NH+]1CCCCC1 ZINC000848995248 821056471 /nfs/dbraw/zinc/05/64/71/821056471.db2.gz LWUQZPAFTWTNKW-ZIAGYGMSSA-N 2 0 282.432 1.353 10 0 CDAERP C[NH+](C)CCCC1CC[NH+](C[C@H](O)C2CC2)CC1 ZINC000838908746 821078188 /nfs/dbraw/zinc/07/81/88/821078188.db2.gz LREMPYLPPZQMAU-HNNXBMFYSA-N 2 0 254.418 1.811 10 0 CDAERP Cc1cc([C@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)nn1C ZINC000925804207 821380468 /nfs/dbraw/zinc/38/04/68/821380468.db2.gz ZUINYEYKRDKASV-KGYLQXTDSA-N 2 0 250.390 1.625 10 0 CDAERP C[NH2+]C[C@@](C)(O)CN1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000872146627 821388098 /nfs/dbraw/zinc/38/80/98/821388098.db2.gz SWJOURZUSUVBEY-CZUORRHYSA-N 2 0 294.443 1.683 10 0 CDAERP CN(CC1C[NH+](C)C1)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000855641327 821492289 /nfs/dbraw/zinc/49/22/89/821492289.db2.gz LWMYWGARKGQQHU-UHFFFAOYSA-N 2 0 289.423 1.424 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000130847402 821711894 /nfs/dbraw/zinc/71/18/94/821711894.db2.gz DARVYAZQULLGKO-HZSPNIEDSA-N 2 0 267.417 1.175 10 0 CDAERP C(C[NH2+]C1CC1)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000062034022 821720657 /nfs/dbraw/zinc/72/06/57/821720657.db2.gz AEDUDDJWNYVNBB-UHFFFAOYSA-N 2 0 265.445 1.936 10 0 CDAERP CN1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCC1CC[NH2+]CC1 ZINC000720902118 821797331 /nfs/dbraw/zinc/79/73/31/821797331.db2.gz UGTZKQACXDSAPN-HOTGVXAUSA-N 2 0 265.445 1.935 10 0 CDAERP COC(=O)c1cc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)ccc1C ZINC000872144202 821855119 /nfs/dbraw/zinc/85/51/19/821855119.db2.gz XOAPSAMILVCVAZ-TZMCWYRMSA-N 2 0 276.380 1.951 10 0 CDAERP C[NH+]1C[C@@]2(C)CN(CCn3ccccc3=O)C[C@]2(C)C1 ZINC000931309555 821858721 /nfs/dbraw/zinc/85/87/21/821858721.db2.gz ZNGMHNTXTLRZRG-HOTGVXAUSA-N 2 0 275.396 1.122 10 0 CDAERP [NH3+]CCCCCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000846220302 821860451 /nfs/dbraw/zinc/86/04/51/821860451.db2.gz ODFWCDJKTZGGKA-HUUCEWRRSA-N 3 0 253.434 1.970 10 0 CDAERP C[C@H]([NH2+][C@@H]1CCCN2CCSC[C@@H]12)[C@H]1CCC[NH2+]C1 ZINC000720494948 821882582 /nfs/dbraw/zinc/88/25/82/821882582.db2.gz JXOCQPDUSATBAM-XQLPTFJDSA-N 2 0 283.485 1.544 10 0 CDAERP CCOC(=O)CC(C)(C)C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000838943564 821886003 /nfs/dbraw/zinc/88/60/03/821886003.db2.gz PGVJZWUVIGZJPZ-CYBMUJFWSA-N 2 0 270.417 1.897 10 0 CDAERP CC[N@H+](CCc1cccs1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923304008 821899917 /nfs/dbraw/zinc/89/99/17/821899917.db2.gz AZKPIYIEDCZSJF-CYBMUJFWSA-N 2 0 280.437 1.991 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)[C@H]2C[C@@]23CCC[NH2+]C3)C1 ZINC000870989121 821978781 /nfs/dbraw/zinc/97/87/81/821978781.db2.gz FMCMRPOGNBRHJL-XYPHTWIQSA-N 2 0 293.455 1.600 10 0 CDAERP COC1CCC([NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)CC1 ZINC000925858584 822010123 /nfs/dbraw/zinc/01/01/23/822010123.db2.gz VDGMQRTWZHUWJM-RUXDESIVSA-N 2 0 296.411 1.219 10 0 CDAERP C[NH+](C)C[C@H](Cc1ccccc1)N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925484784 822019844 /nfs/dbraw/zinc/01/98/44/822019844.db2.gz IGRCCMJYIWSLJZ-XREYTECCSA-N 2 0 299.462 1.745 10 0 CDAERP CC[C@H](C)C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863550061 822063428 /nfs/dbraw/zinc/06/34/28/822063428.db2.gz XYOMKPHAWXDILG-YUTCNCBUSA-N 2 0 281.400 1.290 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000713009069 822071680 /nfs/dbraw/zinc/07/16/80/822071680.db2.gz NGCJCAPJAIEBOW-KBPBESRZSA-N 2 0 283.460 1.844 10 0 CDAERP C[NH+](C)[C@]1(CN[C@H]2CC[NH2+]C23CCCC3)CCSC1 ZINC000925531394 822174799 /nfs/dbraw/zinc/17/47/99/822174799.db2.gz PUHANUXYTVELKL-KBPBESRZSA-N 2 0 283.485 1.688 10 0 CDAERP CC(C)CC[C@H](O)C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923446128 822225185 /nfs/dbraw/zinc/22/51/85/822225185.db2.gz ZZYSMFZCVPJSKB-GJZGRUSLSA-N 2 0 284.444 1.613 10 0 CDAERP [NH3+]C1(C[NH2+]C[C@H]2CC[C@H](C(F)(F)F)O2)CCC1 ZINC000722398356 822271513 /nfs/dbraw/zinc/27/15/13/822271513.db2.gz LKYNMEHXHNIKKX-RKDXNWHRSA-N 2 0 252.280 1.567 10 0 CDAERP C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866702516 822328444 /nfs/dbraw/zinc/32/84/44/822328444.db2.gz BVEJDEFJNLNYBF-LRDDRELGSA-N 2 0 283.460 1.987 10 0 CDAERP Cc1cc(C)cc(OCCCN2CC[NH2+]CC[NH2+]CC2)c1 ZINC000923464313 822338747 /nfs/dbraw/zinc/33/87/47/822338747.db2.gz MPYDOHKCHBZAGV-UHFFFAOYSA-N 2 0 291.439 1.567 10 0 CDAERP C[C@@H]1CN(C[C@H]2CCC[N@@H+]2C)CCN1c1cc[nH+]cc1 ZINC000880259471 822383532 /nfs/dbraw/zinc/38/35/32/822383532.db2.gz UIDDKQZVFZYRJH-GDBMZVCRSA-N 2 0 274.412 1.686 10 0 CDAERP C[C@@H]1CCCN1C(=O)CCN1CCC(C)([NH+](C)C)CC1 ZINC000931351947 822415333 /nfs/dbraw/zinc/41/53/33/822415333.db2.gz YYKYIGQRJXTUOY-CQSZACIVSA-N 2 0 281.444 1.804 10 0 CDAERP CC[C@@H]1C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCS1 ZINC000923318303 822430042 /nfs/dbraw/zinc/43/00/42/822430042.db2.gz YTMQJODBRXVECF-NWDGAFQWSA-N 2 0 256.415 1.192 10 0 CDAERP C[N@@H+]1CC[C@H](NC[C@@H]2C[NH2+]CCC2(F)F)[C@@H]2CCC[C@H]21 ZINC000925777500 822442690 /nfs/dbraw/zinc/44/26/90/822442690.db2.gz PGTJJGJSXHNHCB-XDQVBPFNSA-N 2 0 287.398 1.694 10 0 CDAERP CC(C)(C)NC(=O)C[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714459893 822467213 /nfs/dbraw/zinc/46/72/13/822467213.db2.gz YQFQMAMATFFNMK-UHFFFAOYSA-N 2 0 269.433 1.598 10 0 CDAERP C[C@@H]1C[N@@H+]([C@@H](C(=O)N(C)C)c2ccccc2)CC[C@@H]1C[NH3+] ZINC000923498259 822480652 /nfs/dbraw/zinc/48/06/52/822480652.db2.gz GVXUPMHYMTXXHA-FVQBIDKESA-N 2 0 289.423 1.733 10 0 CDAERP C[C@@H]1CC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CCO1 ZINC000720416493 822523985 /nfs/dbraw/zinc/52/39/85/822523985.db2.gz QBAVUAQOQSGYLY-KBMXLJTQSA-N 2 0 278.396 1.028 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)c2sccc2CN(C)C)CC[N@@H+]1C ZINC000928444101 822536767 /nfs/dbraw/zinc/53/67/67/822536767.db2.gz XIHFFORPNWMYNF-PWSUYJOCSA-N 2 0 281.425 1.632 10 0 CDAERP C[C@H](NC(=O)CCC12CC(C1)C[NH2+]2)[C@H]1CCC[NH2+]C1 ZINC000870933916 822545126 /nfs/dbraw/zinc/54/51/26/822545126.db2.gz ARJDHYJDHYSGAJ-SDFYHXNISA-N 2 0 265.401 1.023 10 0 CDAERP COC(=O)C1=CC[C@H]([NH2+][C@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000863541982 822566103 /nfs/dbraw/zinc/56/61/03/822566103.db2.gz OMXRJOIJHHJFLM-DRZSPHRISA-N 2 0 252.358 1.226 10 0 CDAERP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CCCCC[NH3+] ZINC000251929202 822585476 /nfs/dbraw/zinc/58/54/76/822585476.db2.gz YOOULPQUHGTQFQ-KBPBESRZSA-N 2 0 267.417 1.591 10 0 CDAERP CC(C)[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001272384673 912984036 /nfs/dbraw/zinc/98/40/36/912984036.db2.gz RBONRTLXZLUYIF-KBPBESRZSA-N 2 0 267.417 1.317 10 0 CDAERP COC[C@H](C[NH+]1CCC(O)(C[NH+](C)C)CC1)C(C)C ZINC000721972872 913319112 /nfs/dbraw/zinc/31/91/12/913319112.db2.gz PPWCDUYYGFHXDK-AWEZNQCLSA-N 2 0 272.433 1.294 10 0 CDAERP COCC[NH+](CCOC)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699289705 913690042 /nfs/dbraw/zinc/69/00/42/913690042.db2.gz CYVXBLOMNLDOSS-AGUYFDCRSA-N 2 0 256.390 1.112 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCCOC(C)C)C1)[NH+](C)C ZINC001266353415 894520366 /nfs/dbraw/zinc/52/03/66/894520366.db2.gz VFCXVPJDIDDKRC-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP CCCC[N@@H+]1CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001266520447 895207342 /nfs/dbraw/zinc/20/73/42/895207342.db2.gz NIPVQSWOBIDXBR-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP C[NH+](C)CCOCC[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000723617330 896062533 /nfs/dbraw/zinc/06/25/33/896062533.db2.gz ZQTUNLGGHHPSAJ-QLFBSQMISA-N 2 0 270.417 1.359 10 0 CDAERP CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267066556 896671994 /nfs/dbraw/zinc/67/19/94/896671994.db2.gz HVUYPUHRHGGEDD-CHWSQXEVSA-N 2 0 255.406 1.175 10 0 CDAERP CC[C@@H](C[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC)OC ZINC001267116978 896837688 /nfs/dbraw/zinc/83/76/88/896837688.db2.gz LEOMACBDGNSQII-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP Cc1csc(CC[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)n1 ZINC000405317927 897587499 /nfs/dbraw/zinc/58/74/99/897587499.db2.gz SJCLEIPQOAAZCZ-QWRGUYRKSA-N 2 0 251.399 1.854 10 0 CDAERP CC(C)[C@H](C(=O)N(C)CC[NH2+]CC1CCCC1)[NH+](C)C ZINC001267458830 897947202 /nfs/dbraw/zinc/94/72/02/897947202.db2.gz KICIETSMYMSXCZ-OAHLLOKOSA-N 2 0 283.460 1.811 10 0 CDAERP CN(CC[NH2+]CCCC(C)(C)C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267470129 898078552 /nfs/dbraw/zinc/07/85/52/898078552.db2.gz UFSPFCADFOJENH-CQSZACIVSA-N 2 0 283.460 1.812 10 0 CDAERP CC(C)C[N@H+](C)CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001480950309 898091254 /nfs/dbraw/zinc/09/12/54/898091254.db2.gz GSNMNQHCZUCDKI-ZIAGYGMSSA-N 2 0 269.433 1.563 10 0 CDAERP Cc1nc(C)c(C[NH2+]CCN(C)C(=O)C[N@@H+](C)C(C)C)o1 ZINC001567611534 1168887146 /nfs/dbraw/zinc/88/71/46/1168887146.db2.gz KZQZPNTXCYQBPV-UHFFFAOYSA-N 2 0 296.415 1.180 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH+](CCCF)C1CC1 ZINC001481199478 899125207 /nfs/dbraw/zinc/12/52/07/899125207.db2.gz GXSIMSBFVKSLSL-OKILXGFUSA-N 2 0 299.434 1.799 10 0 CDAERP CC[C@H](C(=O)N(C)[C@H]1CC[N@H+](CC(C)C)C1)[NH+](C)C ZINC001267776310 899697963 /nfs/dbraw/zinc/69/79/63/899697963.db2.gz JFWOFQWUYHBAHI-UONOGXRCSA-N 2 0 269.433 1.515 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@@](C)(C[NH2+]CCF)C2CC2)C1 ZINC001267863309 899897480 /nfs/dbraw/zinc/89/74/80/899897480.db2.gz GDOKLRPSVAMURI-WFASDCNBSA-N 2 0 285.407 1.172 10 0 CDAERP CCC[NH2+]C[C@H](C)CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001267991773 900216091 /nfs/dbraw/zinc/21/60/91/900216091.db2.gz QWORXCHADCHSBB-AWEZNQCLSA-N 2 0 299.459 1.097 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001481458496 900734813 /nfs/dbraw/zinc/73/48/13/900734813.db2.gz PCCVVRQTCUCNBD-CABCVRRESA-N 2 0 281.444 1.566 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001481528528 901081914 /nfs/dbraw/zinc/08/19/14/901081914.db2.gz SAWDBXKRUAJONZ-KFWWJZLASA-N 2 0 283.460 1.953 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC1C[NH+](CC2CCC2)C1 ZINC001481565009 901222098 /nfs/dbraw/zinc/22/20/98/901222098.db2.gz KXVHYJNOHMVDDW-HNNXBMFYSA-N 2 0 279.428 1.461 10 0 CDAERP C[C@H](CC[NH2+]Cc1ccns1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268390574 901979065 /nfs/dbraw/zinc/97/90/65/901979065.db2.gz FCADJKVMHZXBNX-DGCLKSJQSA-N 2 0 296.440 1.222 10 0 CDAERP CC(C)CC[NH2+]CC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001268398102 901994428 /nfs/dbraw/zinc/99/44/28/901994428.db2.gz VTXLCEDVBKQAQO-AWEZNQCLSA-N 2 0 283.460 1.859 10 0 CDAERP CCN(CC[NH2+]CC1CC1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001268459650 902179029 /nfs/dbraw/zinc/17/90/29/902179029.db2.gz YXTJJFGKRPZJOS-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP CCN(CC[NH2+]CCOC)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001268482422 902315541 /nfs/dbraw/zinc/31/55/41/902315541.db2.gz QZHXKKXMKNJABV-HNNXBMFYSA-N 2 0 299.459 1.334 10 0 CDAERP CCN(CC[NH2+]CCCF)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001268500292 902409329 /nfs/dbraw/zinc/40/93/29/902409329.db2.gz VUCSVWKIVMCYJZ-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)NC[C@H](C2CC2)[NH+](C)C)C1 ZINC001361667977 902459644 /nfs/dbraw/zinc/45/96/44/902459644.db2.gz VCEKHQWTQJTKMQ-LSDHHAIUSA-N 2 0 281.444 1.563 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC/C=C\C[NH2+]CCC2CC2)C1 ZINC001268591283 902696608 /nfs/dbraw/zinc/69/66/08/902696608.db2.gz PXDZMTKQALIPHR-SFAKSCPVSA-N 2 0 279.428 1.390 10 0 CDAERP COC[C@H](C)[NH2+]C/C=C\CNC(=O)CC1CC[NH+](C)CC1 ZINC001268594192 902718276 /nfs/dbraw/zinc/71/82/76/902718276.db2.gz AKVZUPMKXLVBRC-WSNITJDQSA-N 2 0 297.443 1.015 10 0 CDAERP CC[NH2+]C[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001268664922 902927036 /nfs/dbraw/zinc/92/70/36/902927036.db2.gz SSIVWDXFNHDUBB-OLZOCXBDSA-N 2 0 255.406 1.365 10 0 CDAERP C[C@@H](C[N@H+](C)CCC1CC1)NC(=O)CC[NH+](C)C ZINC001268746874 903072459 /nfs/dbraw/zinc/07/24/59/903072459.db2.gz QGVAZLAMZCCTKC-LBPRGKRZSA-N 2 0 255.406 1.175 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC1CC1 ZINC001268804667 903141709 /nfs/dbraw/zinc/14/17/09/903141709.db2.gz HWLXBTPCYLNFGJ-INIZCTEOSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](F)CC[NH2+]CCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001268915016 903242459 /nfs/dbraw/zinc/24/24/59/903242459.db2.gz HMQDIHWWXZUBBO-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP COCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001269118254 903438148 /nfs/dbraw/zinc/43/81/48/903438148.db2.gz OYOINVWLQWDBSK-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001269138455 903467861 /nfs/dbraw/zinc/46/78/61/903467861.db2.gz MMNVTHDTNBUFBP-CQSZACIVSA-N 2 0 281.444 1.851 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001269411381 903787409 /nfs/dbraw/zinc/78/74/09/903787409.db2.gz DRZSHMIWURXPLX-CQSZACIVSA-N 2 0 281.444 1.898 10 0 CDAERP CC[C@H](C)C[NH+]1CC(N(C)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001269849243 904149744 /nfs/dbraw/zinc/14/97/44/904149744.db2.gz LPIRJIAVQPUTNJ-JSGCOSHPSA-N 2 0 269.433 1.515 10 0 CDAERP CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]CC1CC1)[NH+](C)C ZINC001482300923 904795150 /nfs/dbraw/zinc/79/51/50/904795150.db2.gz WUZKXCJLDHDTJJ-DGCLKSJQSA-N 2 0 255.406 1.173 10 0 CDAERP C[C@H](C[NH2+]CC[C@H](C)F)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001271091877 905638932 /nfs/dbraw/zinc/63/89/32/905638932.db2.gz GNQIGGYIWNVABR-QWHCGFSZSA-N 2 0 287.423 1.513 10 0 CDAERP CC[C@H](C[N@H+](C)CCN(C)C(=O)C[C@H]1CC[NH+](C)C1)OC ZINC001482642818 908109076 /nfs/dbraw/zinc/10/90/76/908109076.db2.gz UWUNKMMVDJSLMK-HUUCEWRRSA-N 2 0 299.459 1.143 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CC2CC2)C1 ZINC001482663349 908135964 /nfs/dbraw/zinc/13/59/64/908135964.db2.gz PWQDLOKAVKVQMO-CABCVRRESA-N 2 0 279.428 1.271 10 0 CDAERP CC(C)CC[NH2+]CC[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001482834567 908412650 /nfs/dbraw/zinc/41/26/50/908412650.db2.gz VXRAMYGASHGECL-HOCLYGCPSA-N 2 0 295.471 1.859 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC1CC1 ZINC001483026666 908718778 /nfs/dbraw/zinc/71/87/78/908718778.db2.gz PHJQEYAJWAFOLZ-RDFMZFSFSA-N 2 0 265.401 1.143 10 0 CDAERP CC(C)C[NH2+]C/C=C/CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001483082267 909300884 /nfs/dbraw/zinc/30/08/84/909300884.db2.gz NMXCZVUBOXYVAV-ISZGNANSSA-N 2 0 267.417 1.246 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CCC1CC1 ZINC001483097009 909335116 /nfs/dbraw/zinc/33/51/16/909335116.db2.gz HCGLCRJEEXQPJT-DWTRPJMMSA-N 2 0 293.455 1.923 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C[NH2+]CCC(C)C)[NH+](C)C ZINC001483186638 909936302 /nfs/dbraw/zinc/93/63/02/909936302.db2.gz VWCAXSDRVMHGTG-CHWSQXEVSA-N 2 0 257.422 1.467 10 0 CDAERP C[C@@H](C[N@H+](C)CCCF)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001483339650 910932941 /nfs/dbraw/zinc/93/29/41/910932941.db2.gz RVZABQPTQLHHAJ-JSGCOSHPSA-N 2 0 285.407 1.124 10 0 CDAERP C[C@H](C[N@H+](C)CCC1CCCC1)NC(=O)CC[NH+](C)C ZINC001483380795 911024378 /nfs/dbraw/zinc/02/43/78/911024378.db2.gz NYOBMAQPJVWJBQ-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)=CC[NH2+]CCCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001483471076 911161603 /nfs/dbraw/zinc/16/16/03/911161603.db2.gz MEZLMIWKPXZVED-HNNXBMFYSA-N 2 0 283.460 1.977 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001568150135 1169148427 /nfs/dbraw/zinc/14/84/27/1169148427.db2.gz TUZHMXZSMXIQBJ-HZPDHXFCSA-N 2 0 293.455 1.875 10 0 CDAERP CCC/C=C\CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001483791138 915068583 /nfs/dbraw/zinc/06/85/83/915068583.db2.gz QZYFCAHZPCIDLK-YVACAVLKSA-N 2 0 293.455 1.923 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001484688761 916043676 /nfs/dbraw/zinc/04/36/76/916043676.db2.gz ZTYBVHNYSDKLAE-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CCF)CC1 ZINC001484915698 916257050 /nfs/dbraw/zinc/25/70/50/916257050.db2.gz CUZGMFFDYAAJLW-AWEZNQCLSA-N 2 0 299.434 1.799 10 0 CDAERP CC[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CCCOC)[NH+](C)C ZINC001485070446 916453372 /nfs/dbraw/zinc/45/33/72/916453372.db2.gz XBEINOOHFDLFTB-CABCVRRESA-N 2 0 299.459 1.286 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001485075488 916471056 /nfs/dbraw/zinc/47/10/56/916471056.db2.gz GNZYCSUSYFVDEL-CQSZACIVSA-N 2 0 267.417 1.415 10 0 CDAERP Cc1cc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCC[NH+](C)C)on1 ZINC001485190282 916650246 /nfs/dbraw/zinc/65/02/46/916650246.db2.gz ZVGWLBXFSPLPPI-QWHCGFSZSA-N 2 0 296.415 1.308 10 0 CDAERP CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCn2cncc2C1 ZINC001485728074 917238908 /nfs/dbraw/zinc/23/89/08/917238908.db2.gz STMLUKDUVSOFJW-QWHCGFSZSA-N 2 0 278.400 1.340 10 0 CDAERP CC/C=C\CC[NH2+][C@@H](C)CN(C)C(=O)Cn1cncc1C ZINC001485900009 920589468 /nfs/dbraw/zinc/58/94/68/920589468.db2.gz MRARJAQROZNVGD-AFNCTOJWSA-N 2 0 292.427 1.984 10 0 CDAERP C[NH+](C)CCCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCF)[C@H]2C1 ZINC001486160238 920762896 /nfs/dbraw/zinc/76/28/96/920762896.db2.gz HAFWOXKNZANWKA-KKUMJFAQSA-N 2 0 299.434 1.514 10 0 CDAERP CC(C)C[C@H](C[NH2+]CCF)NC(=O)C1([NH+](C)C)CCC1 ZINC001568331060 1169249727 /nfs/dbraw/zinc/24/97/27/1169249727.db2.gz KHYXKDMSDYCRQP-CYBMUJFWSA-N 2 0 287.423 1.561 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001491055434 936848175 /nfs/dbraw/zinc/84/81/75/936848175.db2.gz NUJQUJGFEZFSOC-RFQIPJPRSA-N 2 0 285.407 1.313 10 0 CDAERP C[NH+](C)CCCCC(=O)N[C@H]1C[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001491072387 936851055 /nfs/dbraw/zinc/85/10/55/936851055.db2.gz SQMPHSVCHBVQLL-BXLSQVKPSA-N 2 0 287.835 1.708 10 0 CDAERP C[C@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCc2ccccc21 ZINC000923385385 923799511 /nfs/dbraw/zinc/79/95/11/923799511.db2.gz ANHAMMFEZPGXMQ-MZGVZZPPSA-N 2 0 260.381 1.499 10 0 CDAERP COc1ccc([C@@H]2C[NH2+]CCN2CCC[NH2+]C2CC2)cc1 ZINC000923422974 923819822 /nfs/dbraw/zinc/81/98/22/923819822.db2.gz OYHCYEVFBPVEFI-KRWDZBQOSA-N 2 0 289.423 1.784 10 0 CDAERP COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001410024225 923969725 /nfs/dbraw/zinc/96/97/25/923969725.db2.gz DDKBUDPTABPFBF-ZIAGYGMSSA-N 2 0 299.459 1.188 10 0 CDAERP CCOC(=O)N1CCC([NH2+][C@H]2CNC[C@@H](C)C2)CC1 ZINC000401787106 936913606 /nfs/dbraw/zinc/91/36/06/936913606.db2.gz AIRVINNKSPWUHW-WCQYABFASA-N 2 0 269.389 1.195 10 0 CDAERP CC/C=C\CC[NH2+]CCN(CC)C(=O)C12CC[NH+](CC1)C2 ZINC001273710589 924788359 /nfs/dbraw/zinc/78/83/59/924788359.db2.gz ZVAKHTJCNRQXPV-WAYWQWQTSA-N 2 0 293.455 1.877 10 0 CDAERP Cc1ncc(C[NH2+]CC[C@H](C)NC(=O)C[N@H+](C)C(C)C)o1 ZINC001273204218 924841039 /nfs/dbraw/zinc/84/10/39/924841039.db2.gz KLXCJTFUKBRZRM-LBPRGKRZSA-N 2 0 296.415 1.308 10 0 CDAERP COC[C@@H](C)[N@H+](C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001410256643 925464620 /nfs/dbraw/zinc/46/46/20/925464620.db2.gz HXOCCICLZWZKIV-CQSZACIVSA-N 2 0 297.443 1.040 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)C[C@H]([NH3+])C2CC2)cc1 ZINC000841848846 937018045 /nfs/dbraw/zinc/01/80/45/937018045.db2.gz YCUYCHANQFZFKM-HZMBPMFUSA-N 2 0 261.369 1.450 10 0 CDAERP CC(C)[NH+]1CCCC[C@@H]1C(=O)NCCC[N@@H+](C)C[C@@H](C)O ZINC001490255452 927062904 /nfs/dbraw/zinc/06/29/04/927062904.db2.gz CVTSMJVWHYLPMK-HUUCEWRRSA-N 2 0 299.459 1.068 10 0 CDAERP CC1=CC[N@H+](CCNC(=O)C2([NH+](C)C)CCCC2)CC1 ZINC001568458343 1169297497 /nfs/dbraw/zinc/29/74/97/1169297497.db2.gz PYYOQEIKJFVLMC-UHFFFAOYSA-N 2 0 279.428 1.629 10 0 CDAERP CC(C)[N@H+](CCCNC(=O)C[NH+]1CC[C@H](C)C1)C1CC1 ZINC001490386209 927143676 /nfs/dbraw/zinc/14/36/76/927143676.db2.gz YKAMBWCYZFNZNN-AWEZNQCLSA-N 2 0 281.444 1.707 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1CC)C[C@H](C)O ZINC001490361364 927158988 /nfs/dbraw/zinc/15/89/88/927158988.db2.gz KVDIEHJMHSUHKX-LSDHHAIUSA-N 2 0 299.459 1.070 10 0 CDAERP CC(C)=CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001490645725 927259549 /nfs/dbraw/zinc/25/95/49/927259549.db2.gz WONJJRUKAAIFNO-GJZGRUSLSA-N 2 0 279.428 1.531 10 0 CDAERP CCC[NH+]1CCC([C@H](C)NC(=O)CCC[NH+](C)C)CC1 ZINC001411230352 927276816 /nfs/dbraw/zinc/27/68/16/927276816.db2.gz CWXQQTYLVGMJME-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H](CN[C@@H]1CC[NH2+]C12CCCC2)C[NH+]1CCN(C)CC1 ZINC000925489010 928433624 /nfs/dbraw/zinc/43/36/24/928433624.db2.gz IFEFFRYBEQNCLJ-HZPDHXFCSA-N 2 0 294.487 1.134 10 0 CDAERP CC1(C)[C@H]([NH2+]CCCCCCO)[C@@H]2CCC[NH2+][C@@H]21 ZINC000693665720 937250288 /nfs/dbraw/zinc/25/02/88/937250288.db2.gz FISZHOPRZWOSSK-MJBXVCDLSA-N 2 0 254.418 1.905 10 0 CDAERP C[C@](O)(C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)C1CC1 ZINC000693766090 937251614 /nfs/dbraw/zinc/25/16/14/937251614.db2.gz VDXPWDJWDKVGJN-COMQUAJESA-N 2 0 252.402 1.514 10 0 CDAERP CCOC(=O)C1=CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000858506166 928877262 /nfs/dbraw/zinc/87/72/62/928877262.db2.gz SAYOBLITWYEABI-RRFJBIMHSA-N 2 0 278.396 1.855 10 0 CDAERP CC1(C)CCC[C@@](CO)([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000859616638 929038902 /nfs/dbraw/zinc/03/89/02/929038902.db2.gz ZGXSSOMBZFBEAP-GDBMZVCRSA-N 2 0 284.444 1.364 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C3CC3)CC2)C1 ZINC000787331030 929356626 /nfs/dbraw/zinc/35/66/26/929356626.db2.gz MFDCZXIMFWEWML-ZDUSSCGKSA-N 2 0 265.401 1.071 10 0 CDAERP CC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C1 ZINC001274455545 931501494 /nfs/dbraw/zinc/50/14/94/931501494.db2.gz XJIDKSNOHBEYAN-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H](C[NH2+]CCC(C)(C)C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001275309893 931731612 /nfs/dbraw/zinc/73/16/12/931731612.db2.gz QESNTLLTWSQSLU-KBPBESRZSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001411782234 932020775 /nfs/dbraw/zinc/02/07/75/932020775.db2.gz YFSDVGOMJZCJMF-LSDHHAIUSA-N 2 0 281.444 1.661 10 0 CDAERP COCC[N@H+](C)CCC[NH2+][C@H](C1CCC1)[C@@H]1CCOC1 ZINC000924652514 932809743 /nfs/dbraw/zinc/80/97/43/932809743.db2.gz ATACBEFYHHMAIV-HZPDHXFCSA-N 2 0 284.444 1.750 10 0 CDAERP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000924995471 932840635 /nfs/dbraw/zinc/84/06/35/932840635.db2.gz YZQLQOFYCZAKFN-CAOSSQGBSA-N 2 0 263.429 1.567 10 0 CDAERP COC(=O)N1CCC[C@@H]([NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000925563394 932905580 /nfs/dbraw/zinc/90/55/80/932905580.db2.gz BPWAZNTYGHBKCR-MQYQWHSLSA-N 2 0 295.427 1.583 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925676501 932925403 /nfs/dbraw/zinc/92/54/03/932925403.db2.gz NESBUQIAZUZTJB-BFHYXJOUSA-N 2 0 253.434 1.966 10 0 CDAERP COC1CC(CC[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000925714773 932931371 /nfs/dbraw/zinc/93/13/71/932931371.db2.gz WKKXFSWTVMQSBC-RLUHZPIJSA-N 2 0 250.386 1.388 10 0 CDAERP CC1(C)C[NH2+]CC[C@H](N[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000925727134 932933292 /nfs/dbraw/zinc/93/32/92/932933292.db2.gz YYYMKQARPCGCNN-PMKSJIGOSA-N 2 0 263.429 1.351 10 0 CDAERP Cc1cc(CC[NH2+][C@@H](C)C2CC[NH+](C)CC2)nn1C ZINC000926916317 933032076 /nfs/dbraw/zinc/03/20/76/933032076.db2.gz VJPWTKVPGHLTOH-ZDUSSCGKSA-N 2 0 264.417 1.591 10 0 CDAERP C[NH+](C)C[C@@H]1COC2(CCCC2)CN1CC[NH+]1CCCC1 ZINC000931088404 933503398 /nfs/dbraw/zinc/50/33/98/933503398.db2.gz HIIOEQFOIYKXSD-MRXNPFEDSA-N 2 0 295.471 1.657 10 0 CDAERP C[C@H](CC[NH2+]CC[C@H](C)F)NC(=O)C[NH+]1CCCC1 ZINC001568710904 1169441626 /nfs/dbraw/zinc/44/16/26/1169441626.db2.gz SQVGOZQZQQTBAQ-QWHCGFSZSA-N 2 0 273.396 1.315 10 0 CDAERP C[C@@H]([NH2+]Cc1ccc2c(c1)OCCO2)C1CC[NH2+]CC1 ZINC000400515199 940851771 /nfs/dbraw/zinc/85/17/71/940851771.db2.gz KJHDWQNBNJNSDT-GFCCVEGCSA-N 2 0 276.380 1.936 10 0 CDAERP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCCC[C@@H]3O)CC[C@H]21 ZINC001473725915 970838741 /nfs/dbraw/zinc/83/87/41/970838741.db2.gz WWGXCDDRLSQYSO-BARDWOONSA-N 2 0 252.402 1.564 10 0 CDAERP CCN(CC[NH2+]CC[C@@H](C)F)C(=O)[C@H]1CCC[N@@H+]1C ZINC001568765264 1169467437 /nfs/dbraw/zinc/46/74/37/1169467437.db2.gz KVQRFINEULORFO-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001277087596 941933873 /nfs/dbraw/zinc/93/38/73/941933873.db2.gz LQCZYUCXSXXUFJ-SHTZXODSSA-N 2 0 279.428 1.533 10 0 CDAERP CCN(CC[NH2+]CC[C@@H](C)F)C(=O)C1CC[NH+](C)CC1 ZINC001568772065 1169469659 /nfs/dbraw/zinc/46/96/59/1169469659.db2.gz HHQJAYWJNYZNEG-CYBMUJFWSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@@H]1CN(CC[C@H]2CCC[N@@H+]2C)CCN1c1cnccn1 ZINC001473903493 970893280 /nfs/dbraw/zinc/89/32/80/970893280.db2.gz VPWAGESVCFKLBQ-HUUCEWRRSA-N 2 0 289.427 1.471 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCF)CCC1 ZINC001280483123 942452892 /nfs/dbraw/zinc/45/28/92/942452892.db2.gz MWUFDWWOYJONHU-AWEZNQCLSA-N 2 0 299.434 1.849 10 0 CDAERP CC[C@@H](C(=O)N(CC)CC[NH2+]C[C@@H]1CCCCO1)[NH+](C)C ZINC001568791635 1169477558 /nfs/dbraw/zinc/47/75/58/1169477558.db2.gz OUAVXXWZGGRELO-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP CCC[NH2+][C@H](C)[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001282241416 942683047 /nfs/dbraw/zinc/68/30/47/942683047.db2.gz LBVVIQNQAUBFDJ-ZIAGYGMSSA-N 2 0 269.433 1.755 10 0 CDAERP CC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001282834632 942756348 /nfs/dbraw/zinc/75/63/48/942756348.db2.gz XCCHWGDHBULBBE-OLZOCXBDSA-N 2 0 269.433 1.419 10 0 CDAERP CC(C)OCCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001283714440 942976822 /nfs/dbraw/zinc/97/68/22/942976822.db2.gz MTXSLBGDFNINBE-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP C[N@H+](CC(=O)NCC1=CCN(CCF)CC1)C1CCC1 ZINC001284929383 943291253 /nfs/dbraw/zinc/29/12/53/943291253.db2.gz WGUSUXMKQISPTQ-UHFFFAOYSA-N 2 0 283.391 1.189 10 0 CDAERP CCOCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H]1CC ZINC001264061088 944072176 /nfs/dbraw/zinc/07/21/76/944072176.db2.gz XYDXEKRSPAXGJS-RRFJBIMHSA-N 2 0 297.443 1.086 10 0 CDAERP CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001264564426 944149510 /nfs/dbraw/zinc/14/95/10/944149510.db2.gz RLIKQBHLBZUCFH-PMPSAXMXSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](F)C[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001265001413 944198519 /nfs/dbraw/zinc/19/85/19/944198519.db2.gz WEWAISLFTPKBHM-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP COCCC[N@@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001265217233 944281362 /nfs/dbraw/zinc/28/13/62/944281362.db2.gz SOZDALQKKFPFMW-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001277987633 944522963 /nfs/dbraw/zinc/52/29/63/944522963.db2.gz IPLSUFNHXACKGD-CABCVRRESA-N 2 0 281.444 1.731 10 0 CDAERP C[C@@H]1[C@H](C(=O)NCCC[NH+](C)CC2CCC2)CC[N@@H+]1C ZINC001265848909 944539514 /nfs/dbraw/zinc/53/95/14/944539514.db2.gz SPNNMRVLRQYAGI-UKRRQHHQSA-N 2 0 281.444 1.565 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H](C[NH2+]CCF)C1 ZINC001265986443 944616180 /nfs/dbraw/zinc/61/61/80/944616180.db2.gz GBRBRUAQTBABCV-UONOGXRCSA-N 2 0 285.407 1.268 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)CCCOC)C1 ZINC001266116894 944690165 /nfs/dbraw/zinc/69/01/65/944690165.db2.gz OAPKDGQETJQCOH-OAHLLOKOSA-N 2 0 299.459 1.288 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC)C1CC1 ZINC001266141792 944710466 /nfs/dbraw/zinc/71/04/66/944710466.db2.gz UUKXCIYKWFLAPS-HNNXBMFYSA-N 2 0 281.444 1.851 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC1CCCC1 ZINC001568873832 1169528702 /nfs/dbraw/zinc/52/87/02/1169528702.db2.gz UTEYFEJKWJUJAU-SQRWCISFSA-N 2 0 293.455 1.923 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001479393537 971317446 /nfs/dbraw/zinc/31/74/46/971317446.db2.gz JUSOICGZVUXGQU-HDJSIYSDSA-N 2 0 269.433 1.469 10 0 CDAERP COCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001479457250 971329127 /nfs/dbraw/zinc/32/91/27/971329127.db2.gz FFJZTOLJJMPOKC-ZNMIVQPWSA-N 2 0 299.459 1.094 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CCCOC)[C@@H]1CC)[NH+](C)C ZINC001479646084 971356102 /nfs/dbraw/zinc/35/61/02/971356102.db2.gz ZYFXRLBZONLYMS-RRFJBIMHSA-N 2 0 299.459 1.332 10 0 CDAERP C[N@@H+](C/C=C/Cl)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001479792944 971421082 /nfs/dbraw/zinc/42/10/82/971421082.db2.gz AOOGAQDJNHIENF-XVNBXDOJSA-N 2 0 287.835 1.519 10 0 CDAERP C[C@H](C(=O)NCCC[N@@H+](C)C[C@H](C)O)[NH+]1CCCCCC1 ZINC001479800605 971425407 /nfs/dbraw/zinc/42/54/07/971425407.db2.gz PTWMFLYUNBFXFR-LSDHHAIUSA-N 2 0 299.459 1.070 10 0 CDAERP CO[C@@H](C)C[N@H+](C)CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001479804592 971428176 /nfs/dbraw/zinc/42/81/76/971428176.db2.gz ZGJBAQNOIYDFTI-HNNXBMFYSA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@H](C(=O)NCCC[N@H+](C)Cc1cc(C)no1)[NH+](C)C ZINC001479808367 971430775 /nfs/dbraw/zinc/43/07/75/971430775.db2.gz ZWUBDOBIAYHJAJ-CQSZACIVSA-N 2 0 296.415 1.261 10 0 CDAERP CCC[N@H+](CC)CCCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001479855098 971454415 /nfs/dbraw/zinc/45/44/15/971454415.db2.gz VIDRVXPEBXPJBH-CQSZACIVSA-N 2 0 269.433 1.566 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001479964507 971514309 /nfs/dbraw/zinc/51/43/09/971514309.db2.gz XZEXKUHHYQZISJ-XAQJJABOSA-N 2 0 281.444 1.873 10 0 CDAERP CC(C)CC[NH2+][C@@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001480044366 971551890 /nfs/dbraw/zinc/55/18/90/971551890.db2.gz PHTTTYSEHAEPEK-INIZCTEOSA-N 2 0 295.471 1.859 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001480238547 971642007 /nfs/dbraw/zinc/64/20/07/971642007.db2.gz TWWQOLXHGXQFSU-SOUVJXGZSA-N 2 0 299.434 1.847 10 0 CDAERP CCOCC[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001480331482 971674450 /nfs/dbraw/zinc/67/44/50/971674450.db2.gz MILRZEGAHSXQHL-HNNXBMFYSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)[N@@H+]1CCC[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001278677986 951606136 /nfs/dbraw/zinc/60/61/36/951606136.db2.gz MUYJRLMDQPYZKF-OAHLLOKOSA-N 2 0 269.433 1.565 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@](C)(C[NH2+]CCCF)C2)C1 ZINC001324825570 953593851 /nfs/dbraw/zinc/59/38/51/953593851.db2.gz FPPFDDXDPZEAJQ-DZGCQCFKSA-N 2 0 285.407 1.126 10 0 CDAERP Cc1nc(C)c(CNC(=O)[C@H]2CC[N@@H+]2C2CCCC2)[nH]1 ZINC001364194136 954307481 /nfs/dbraw/zinc/30/74/81/954307481.db2.gz QTEAXCMCPKSBAO-CQSZACIVSA-N 2 0 276.384 1.660 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H]1CCCC[C@H]1[NH3+])C(C)C ZINC001326407433 954363053 /nfs/dbraw/zinc/36/30/53/954363053.db2.gz CZXMFQWXOFMACT-CHWSQXEVSA-N 2 0 255.406 1.350 10 0 CDAERP CC[N@H+](C)[C@H]1CCN(C(=O)NCC[NH+]2CCC[C@H]2C)C1 ZINC001364347883 954485965 /nfs/dbraw/zinc/48/59/65/954485965.db2.gz DYBOKKPKOBBNKO-KGLIPLIRSA-N 2 0 282.432 1.206 10 0 CDAERP C[C@@H](CN1CCOCC1)C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC001364474878 954656255 /nfs/dbraw/zinc/65/62/55/954656255.db2.gz OKMOMHPURXRYKE-MRXNPFEDSA-N 2 0 295.471 1.515 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)NCCOCC[NH+](C)C)CC1 ZINC001295811892 954748739 /nfs/dbraw/zinc/74/87/39/954748739.db2.gz MWQYQUJPIATZDF-UHFFFAOYSA-N 2 0 299.459 1.049 10 0 CDAERP CC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001328282000 955250542 /nfs/dbraw/zinc/25/05/42/955250542.db2.gz FUITUXZULFFSRO-KBPBESRZSA-N 2 0 269.433 1.707 10 0 CDAERP CN(CC[NH2+][C@@H]1CCc2ccccc21)C(=O)CC[NH+](C)C ZINC001493682150 972098831 /nfs/dbraw/zinc/09/88/31/972098831.db2.gz TWOOKBZKMXCIIW-MRXNPFEDSA-N 2 0 289.423 1.674 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+]Cc1ccc(F)cc1 ZINC001421739630 955516784 /nfs/dbraw/zinc/51/67/84/955516784.db2.gz HYVPIBHLTKTWTF-ZDUSSCGKSA-N 2 0 295.402 1.619 10 0 CDAERP CC[C@H](C(=O)N(C)CC[NH2+]CC[C@@H]1CCCCO1)[NH+](C)C ZINC001493764793 972112043 /nfs/dbraw/zinc/11/20/43/972112043.db2.gz XAOFDTTVOQELBM-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP C[N@H+](C[C@H]1CCC[NH+](C)C1)C[C@@H]1CCC[C@@]2(CCOC2)O1 ZINC001365269267 955800209 /nfs/dbraw/zinc/80/02/09/955800209.db2.gz DRNVFAJLUWLUBW-ULQDDVLXSA-N 2 0 296.455 1.988 10 0 CDAERP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]C/C=C/Cl ZINC001422169819 955808707 /nfs/dbraw/zinc/80/87/07/955808707.db2.gz ORISZMSSFRZPRK-CXILLOQGSA-N 2 0 273.808 1.175 10 0 CDAERP CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001329321802 955824588 /nfs/dbraw/zinc/82/45/88/955824588.db2.gz UXWGXNLEVVXSLE-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001422236451 955874789 /nfs/dbraw/zinc/87/47/89/955874789.db2.gz WZKTYSMOYRJLCD-OWCLPIDISA-N 2 0 295.471 1.905 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001492444503 955896414 /nfs/dbraw/zinc/89/64/14/955896414.db2.gz VHPYCGCCMVVTSP-ZDUSSCGKSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]CCc1cccs1 ZINC001422373959 955969705 /nfs/dbraw/zinc/96/97/05/955969705.db2.gz DXTBRCQRIOOXLT-QWHCGFSZSA-N 2 0 297.468 1.725 10 0 CDAERP [NH3+]C[C@@H]1Cc2ccccc2N(C[C@H]2CCC[NH2+]C2)C1 ZINC001329754721 956097444 /nfs/dbraw/zinc/09/74/44/956097444.db2.gz NQZDBPURKBHJBM-KBPBESRZSA-N 2 0 259.397 1.624 10 0 CDAERP C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CC1CC1 ZINC001365594740 956190430 /nfs/dbraw/zinc/19/04/30/956190430.db2.gz KAMWOHZUXOSQKU-GDBMZVCRSA-N 2 0 293.455 1.566 10 0 CDAERP CC[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1CC1CC1)[NH+](C)C ZINC001366205715 956639500 /nfs/dbraw/zinc/63/95/00/956639500.db2.gz DWOAGQLMDJHYNT-HUUCEWRRSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]1CC[C@H](C)F ZINC001423181063 956649255 /nfs/dbraw/zinc/64/92/55/956649255.db2.gz MHJCDVMJWHHASI-STQMWFEESA-N 2 0 273.396 1.265 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCC(F)(F)F ZINC001366265928 956692302 /nfs/dbraw/zinc/69/23/02/956692302.db2.gz HCUREVWTTWJHRN-UWVGGRQHSA-N 2 0 281.322 1.127 10 0 CDAERP CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001423317598 956721152 /nfs/dbraw/zinc/72/11/52/956721152.db2.gz CHVCYWYPRDEPES-LSDHHAIUSA-N 2 0 281.444 1.661 10 0 CDAERP CC(C)C[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001366441009 956831243 /nfs/dbraw/zinc/83/12/43/956831243.db2.gz UWKYCIPNHWVTQA-LSDHHAIUSA-N 2 0 283.460 2.000 10 0 CDAERP CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001423541139 956838125 /nfs/dbraw/zinc/83/81/25/956838125.db2.gz RYANJOKPDKQSBU-GJZGRUSLSA-N 2 0 299.459 1.020 10 0 CDAERP COC[C@H](C)[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C(C)(C)C ZINC001423612341 956902184 /nfs/dbraw/zinc/90/21/84/956902184.db2.gz CGLQSQTVBQJDDS-UONOGXRCSA-N 2 0 299.459 1.238 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)C1CC[NH+](CCF)CC1 ZINC001423645764 956915191 /nfs/dbraw/zinc/91/51/91/956915191.db2.gz OMCSHOWWOKNLGZ-CYBMUJFWSA-N 2 0 287.423 1.514 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001366527122 956924637 /nfs/dbraw/zinc/92/46/37/956924637.db2.gz KMTUKEKXVMWKNN-QLFBSQMISA-N 2 0 283.460 1.811 10 0 CDAERP CC[NH+]1CCC([C@H](C)NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001423663455 956924948 /nfs/dbraw/zinc/92/49/48/956924948.db2.gz PWIQRSYYGQKRBE-ZDUSSCGKSA-N 2 0 281.444 1.707 10 0 CDAERP CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001424037029 957092341 /nfs/dbraw/zinc/09/23/41/957092341.db2.gz GFYWWNKDGUIGKQ-HUUCEWRRSA-N 2 0 281.444 1.804 10 0 CDAERP CC(C)CC[NH+]1CC(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001494560108 972257324 /nfs/dbraw/zinc/25/73/24/972257324.db2.gz ZLOLEXYEMHXVGV-UHFFFAOYSA-N 2 0 281.444 1.565 10 0 CDAERP CCCC[NH2+]C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001317158041 957311437 /nfs/dbraw/zinc/31/14/37/957311437.db2.gz PNOYCQGRBDUHKF-OAHLLOKOSA-N 2 0 295.471 1.957 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H](C[NH2+]CCF)C2)C1 ZINC001317164626 957314323 /nfs/dbraw/zinc/31/43/23/957314323.db2.gz ZDYCCFVTTIRYDK-ZIAGYGMSSA-N 2 0 285.407 1.126 10 0 CDAERP CN(C(=O)C1(C[NH+](C)C)CC1)[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001367044418 957367700 /nfs/dbraw/zinc/36/77/00/957367700.db2.gz BFRVDLIADOFTGW-OAHLLOKOSA-N 2 0 293.455 1.661 10 0 CDAERP CC1CCC(C[NH+]2CC(CNC(=O)CC[NH+](C)C)C2)CC1 ZINC001494591554 972264678 /nfs/dbraw/zinc/26/46/78/972264678.db2.gz UPHWZWHSRYHASA-UHFFFAOYSA-N 2 0 295.471 1.812 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@@H]([NH2+]CC2CC2)C1 ZINC001317356312 957435632 /nfs/dbraw/zinc/43/56/32/957435632.db2.gz NDDCVIDRFNAURX-KGLIPLIRSA-N 2 0 267.417 1.365 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001317434988 957469926 /nfs/dbraw/zinc/46/99/26/957469926.db2.gz PDLAKEDCOJEDBQ-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP C[NH+](C)CCCC(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3CC3)C[C@H]21 ZINC001425318032 957513875 /nfs/dbraw/zinc/51/38/75/957513875.db2.gz BXDLHAUYBUERPT-QKDCVEJESA-N 2 0 279.428 1.032 10 0 CDAERP CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)CC)C[C@H]2C1 ZINC001425385177 957523009 /nfs/dbraw/zinc/52/30/09/957523009.db2.gz UQTQMMLADXLEIN-JYJNAYRXSA-N 2 0 295.471 1.955 10 0 CDAERP CC1(C)[C@H]([NH2+]C[C@H]2CCC[C@@H](O)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC001332421660 957557101 /nfs/dbraw/zinc/55/71/01/957557101.db2.gz QTJWXWKFQXHWAO-VYDRJRHOSA-N 2 0 266.429 1.904 10 0 CDAERP CCCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC001332436415 957565817 /nfs/dbraw/zinc/56/58/17/957565817.db2.gz DNRRZVIXWOMHRP-HUUCEWRRSA-N 2 0 295.471 1.955 10 0 CDAERP CN(CC[NH2+]CCCF)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001317595629 957588028 /nfs/dbraw/zinc/58/80/28/957588028.db2.gz GHMZWFLCIDHAQM-HNNXBMFYSA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)=CC[NH2+]CCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001317596991 957590627 /nfs/dbraw/zinc/59/06/27/957590627.db2.gz PNHBGWJRNIGQFB-HNNXBMFYSA-N 2 0 281.444 1.875 10 0 CDAERP CC(C)CC[NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001317625098 957607114 /nfs/dbraw/zinc/60/71/14/957607114.db2.gz BLOFSFFMCWBAHX-CQSZACIVSA-N 2 0 269.433 1.422 10 0 CDAERP CC[N@@H+]1CC[C@@]2(NC(=O)CCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001425913643 957640251 /nfs/dbraw/zinc/64/02/51/957640251.db2.gz RYVXGZDYVWXNCY-WBVHZDCISA-N 2 0 293.455 1.996 10 0 CDAERP CC[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CCOC ZINC001318524798 958155672 /nfs/dbraw/zinc/15/56/72/958155672.db2.gz PNYAFDNOWFGTJR-AWEZNQCLSA-N 2 0 299.459 1.382 10 0 CDAERP CCCC[NH2+][C@H](CC)CNC(=O)C1CC[NH+](C)CC1 ZINC001318569914 958177080 /nfs/dbraw/zinc/17/70/80/958177080.db2.gz XCAIKODHCOBHAV-CQSZACIVSA-N 2 0 269.433 1.613 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@](C)(C[NH2+]CCCF)C1CC1 ZINC001318689213 958232915 /nfs/dbraw/zinc/23/29/15/958232915.db2.gz WQVPQTZNROGKIX-UKRRQHHQSA-N 2 0 285.407 1.315 10 0 CDAERP CC[C@@H](C(=O)N1CCC[C@H](CC[NH2+]CC2CC2)C1)[NH+](C)C ZINC001318834569 958278245 /nfs/dbraw/zinc/27/82/45/958278245.db2.gz DYGJGFBTBIHFNT-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001367893803 958459734 /nfs/dbraw/zinc/45/97/34/958459734.db2.gz FLJSCZMCPRKMIC-CVEARBPZSA-N 2 0 295.471 2.000 10 0 CDAERP CCC[NH2+]C1(CNC(=O)C[N@H+](C)C(C)C)CCCC1 ZINC001319388850 958530870 /nfs/dbraw/zinc/53/08/70/958530870.db2.gz CIYHDUVTPSHTDD-UHFFFAOYSA-N 2 0 269.433 1.755 10 0 CDAERP CCC[NH+]1CCC(C)(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001368128094 958653056 /nfs/dbraw/zinc/65/30/56/958653056.db2.gz QEMCVRPJICCWFN-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(C[NH+](C)C)CC1 ZINC001368389235 958808349 /nfs/dbraw/zinc/80/83/49/958808349.db2.gz BLDKPLHPZLMZPK-UONOGXRCSA-N 2 0 279.428 1.413 10 0 CDAERP CCCC[NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001319955930 958814418 /nfs/dbraw/zinc/81/44/18/958814418.db2.gz HFOMAWJIENVZNQ-AWEZNQCLSA-N 2 0 281.444 1.613 10 0 CDAERP CN(CC[N@H+](C)CC1CCCC1)C(=O)CC[NH+](C)C ZINC001320043300 958897113 /nfs/dbraw/zinc/89/71/13/958897113.db2.gz SBFVNBZBLXGGOK-UHFFFAOYSA-N 2 0 269.433 1.519 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCC2CC2)CC1(C)C ZINC001368671895 959029439 /nfs/dbraw/zinc/02/94/39/959029439.db2.gz JXFLGSFNJAYWIM-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP CCCC[NH2+]C[C@H](O)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001320283457 959050176 /nfs/dbraw/zinc/05/01/76/959050176.db2.gz NOKDPWDFHANCCF-CABCVRRESA-N 2 0 299.459 1.118 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)CC)CC[N@@H+]1CC(C)C ZINC001368699328 959057818 /nfs/dbraw/zinc/05/78/18/959057818.db2.gz FPMXLHKHKDNKCC-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP c1n[nH]cc1CC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC001334390044 959077000 /nfs/dbraw/zinc/07/70/00/959077000.db2.gz LFCGKNSBYVSJRY-GJZGRUSLSA-N 2 0 262.401 1.710 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@H]1C[N@H+](C)CCO)[NH+](CC)CC ZINC001368805051 959147824 /nfs/dbraw/zinc/14/78/24/959147824.db2.gz XYDWRGGHTNNQPJ-LSDHHAIUSA-N 2 0 299.459 1.022 10 0 CDAERP CCN(CC[NH2+]Cc1cncs1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001320694055 959333737 /nfs/dbraw/zinc/33/37/37/959333737.db2.gz ACLLWOWPBSWHHQ-CYBMUJFWSA-N 2 0 296.440 1.175 10 0 CDAERP C[C@@H]1[C@H](C(=O)NC2(C[NH2+]CCF)CCCC2)CC[N@@H+]1C ZINC001495160727 972431321 /nfs/dbraw/zinc/43/13/21/972431321.db2.gz KKFUHHURULFSIU-CHWSQXEVSA-N 2 0 285.407 1.315 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001369219856 959538828 /nfs/dbraw/zinc/53/88/28/959538828.db2.gz PCYNERZNDULXSG-HOTGVXAUSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001369572115 959764921 /nfs/dbraw/zinc/76/49/21/959764921.db2.gz KCPSLKSMYOJDKK-NRXISQOPSA-N 2 0 281.444 1.706 10 0 CDAERP C[C@@H](C[NH2+]CC[C@H]1CCCO1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001321955973 960030443 /nfs/dbraw/zinc/03/04/43/960030443.db2.gz KPUZMGFIXPDDKT-ZNMIVQPWSA-N 2 0 297.443 1.134 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001370521399 960137784 /nfs/dbraw/zinc/13/77/84/960137784.db2.gz SKLISOIPQFGMEO-XJFOESAGSA-N 2 0 285.407 1.313 10 0 CDAERP CC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001370761296 960195018 /nfs/dbraw/zinc/19/50/18/960195018.db2.gz REZIGBXGHKRRJZ-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP COCCC[NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001322662042 960291123 /nfs/dbraw/zinc/29/11/23/960291123.db2.gz MAWLFLRJIWATKI-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP CC1CC[NH+](CCNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001433611175 960445902 /nfs/dbraw/zinc/44/59/02/960445902.db2.gz GXUXYXQEQRTYKO-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP CCCCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCCN1C ZINC001323258615 960590789 /nfs/dbraw/zinc/59/07/89/960590789.db2.gz ADVSQZIMSMUNQX-LSDHHAIUSA-N 2 0 281.444 1.851 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001323301812 960629497 /nfs/dbraw/zinc/62/94/97/960629497.db2.gz KZGNKHZRMGYVDJ-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001323300967 960629805 /nfs/dbraw/zinc/62/98/05/960629805.db2.gz DKKVFRCKBDMCAV-ZIAGYGMSSA-N 2 0 267.417 1.175 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCCN1C/C=C/Cl ZINC001418636936 960832043 /nfs/dbraw/zinc/83/20/43/960832043.db2.gz HGHAWVYMGGKKNA-IYNGYCSASA-N 2 0 287.835 1.660 10 0 CDAERP CCC[NH+](CCC)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001418725255 960947812 /nfs/dbraw/zinc/94/78/12/960947812.db2.gz MEGWDCYKRUBOCA-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC1C[NH+](CC2CCCC2)C1 ZINC001419043539 961296701 /nfs/dbraw/zinc/29/67/01/961296701.db2.gz OVASEAGJYFSFRA-UHFFFAOYSA-N 2 0 281.444 1.565 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001419477416 961748836 /nfs/dbraw/zinc/74/88/36/961748836.db2.gz ZGZDAQNEPPTIMW-DQHJZZHNSA-N 2 0 299.846 1.850 10 0 CDAERP CC[C@@H](C[NH2+]C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1)OC ZINC001419577572 961829676 /nfs/dbraw/zinc/82/96/76/961829676.db2.gz ILKFCCRNAHPVFC-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP CCC[NH2+][C@@H]1CC[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001436414288 962239853 /nfs/dbraw/zinc/23/98/53/962239853.db2.gz FFOFCOLMOLVWAD-UONOGXRCSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001436726223 962369059 /nfs/dbraw/zinc/36/90/59/962369059.db2.gz OPWKJYQSIXSRNW-GJZGRUSLSA-N 2 0 281.444 1.707 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]([NH2+]C/C=C\Cl)C2CC2)C1 ZINC001436825286 962439448 /nfs/dbraw/zinc/43/94/48/962439448.db2.gz HHDPLDCKHKBBBB-RIDZFXPKSA-N 2 0 299.846 1.565 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001436976445 962538121 /nfs/dbraw/zinc/53/81/21/962538121.db2.gz ILJHIZAACMHVAV-PMAJKYRGSA-N 2 0 299.846 1.850 10 0 CDAERP CC1CC(C[N@H+](C)CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001420219426 962595051 /nfs/dbraw/zinc/59/50/51/962595051.db2.gz XCERLXGEMOLZRY-ZBCRRDGASA-N 2 0 293.455 1.422 10 0 CDAERP Cc1nsc(C)c1C[NH2+][C@@H](C)CNC(=O)CC[NH+](C)C ZINC001437195938 962722635 /nfs/dbraw/zinc/72/26/35/962722635.db2.gz CMZHLRHIMCTZDM-JTQLQIEISA-N 2 0 298.456 1.306 10 0 CDAERP CC[C@H](F)C[N@H+](CC)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001420401324 962863763 /nfs/dbraw/zinc/86/37/63/962863763.db2.gz VMSVCODWMCXNGQ-ZDUSSCGKSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001437464251 962933256 /nfs/dbraw/zinc/93/32/56/962933256.db2.gz XBWPNAAQKWUFDO-JHJVBQTASA-N 2 0 273.396 1.123 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001437725919 963145194 /nfs/dbraw/zinc/14/51/94/963145194.db2.gz LATVLKFGTFTOCY-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC001437732173 963151387 /nfs/dbraw/zinc/15/13/87/963151387.db2.gz CKIKWSFKTCVIOG-HUUCEWRRSA-N 2 0 279.428 1.176 10 0 CDAERP C[N@H+](CCC1CC1)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001437992744 963278615 /nfs/dbraw/zinc/27/86/15/963278615.db2.gz SFZORALPAWWRFH-JKSUJKDBSA-N 2 0 293.455 1.519 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001420893272 963336694 /nfs/dbraw/zinc/33/66/94/963336694.db2.gz MIRQSZYCQURRRV-HUUCEWRRSA-N 2 0 283.460 1.809 10 0 CDAERP C[C@H](F)CC[NH+]1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001421177024 963485335 /nfs/dbraw/zinc/48/53/35/963485335.db2.gz WVSAQSWSPGUAFY-LBPRGKRZSA-N 2 0 273.396 1.124 10 0 CDAERP Cc1cc(C[NH2+]C[C@H](C)N(C)C(=O)CC[NH+](C)C)sn1 ZINC001438691855 963527277 /nfs/dbraw/zinc/52/72/77/963527277.db2.gz MFKWXKTWHNSWSJ-LBPRGKRZSA-N 2 0 298.456 1.340 10 0 CDAERP C[C@@H](F)CC[N@H+](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001439328821 963724609 /nfs/dbraw/zinc/72/46/09/963724609.db2.gz CQXFRIJGOXBINH-OLZOCXBDSA-N 2 0 287.423 1.655 10 0 CDAERP C[NH+](C)CC1(C(=O)NC[C@H]2CC[N@@H+]2CCC(C)(C)C)CC1 ZINC001439544306 963793197 /nfs/dbraw/zinc/79/31/97/963793197.db2.gz HJKFJEXYFODBNE-CQSZACIVSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](F)C[N@H+]1C[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C1 ZINC001440151908 963935594 /nfs/dbraw/zinc/93/55/94/963935594.db2.gz UIKLZGFPZICLLE-ZNMIVQPWSA-N 2 0 299.434 1.467 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@H]1CN(C)C(=O)CCC[NH+](C)C ZINC001440255475 963958016 /nfs/dbraw/zinc/95/80/16/963958016.db2.gz UDZGWVAAOWWTJJ-KBPBESRZSA-N 2 0 287.423 1.609 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]C/C=C/Cl)C2)C1 ZINC001440404236 964020610 /nfs/dbraw/zinc/02/06/10/964020610.db2.gz CRCBVSJOFVFNNL-PBLQIVMZSA-N 2 0 299.846 1.565 10 0 CDAERP CCO[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C[NH2+]C(C)C ZINC001440422357 964032938 /nfs/dbraw/zinc/03/29/38/964032938.db2.gz XKQWMLJIOCWYEV-HUUCEWRRSA-N 2 0 299.459 1.188 10 0 CDAERP CC(C)[C@@H](CCN(C)C(=O)C[NH+]1CCCC1)[NH2+]CCF ZINC001441095468 964362171 /nfs/dbraw/zinc/36/21/71/964362171.db2.gz XYUPKLOQBIWOHP-CQSZACIVSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CC=C(Cl)Cl ZINC001441588539 964606167 /nfs/dbraw/zinc/60/61/67/964606167.db2.gz HEVKUQBALDVUMD-SNVBAGLBSA-N 2 0 296.242 1.694 10 0 CDAERP CC[C@@H](F)C[NH2+][C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001441866720 964758722 /nfs/dbraw/zinc/75/87/22/964758722.db2.gz FXEXNHSJFQCTAO-QWHCGFSZSA-N 2 0 285.407 1.457 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001441935077 964795687 /nfs/dbraw/zinc/79/56/87/964795687.db2.gz IEDPUMZUIVRASK-VXGBXAGGSA-N 2 0 291.386 1.468 10 0 CDAERP Cc1csc(C[NH2+][C@H](C)CNC(=O)C[NH+]2CCCC2)n1 ZINC001442051305 964845803 /nfs/dbraw/zinc/84/58/03/964845803.db2.gz NJUKIDZTLNTYDJ-LLVKDONJSA-N 2 0 296.440 1.142 10 0 CDAERP C[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)CC1CC(C)(C)C1 ZINC001442580904 965123489 /nfs/dbraw/zinc/12/34/89/965123489.db2.gz XGTMRYPKFFFVGW-UHFFFAOYSA-N 2 0 293.455 1.566 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)CC[C@@H](C)F ZINC001442671381 965170317 /nfs/dbraw/zinc/17/03/17/965170317.db2.gz CBCLHQVNCJXPIH-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP Cc1conc1C[NH2+]C[C@@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001444447948 965838694 /nfs/dbraw/zinc/83/86/94/965838694.db2.gz RVMHIIQYMRFKQO-GFCCVEGCSA-N 2 0 296.415 1.165 10 0 CDAERP CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CC1CCOCC1)[NH+](C)C ZINC001444711780 965931016 /nfs/dbraw/zinc/93/10/16/965931016.db2.gz QOJPUKXOOSGWEN-DZGCQCFKSA-N 2 0 299.459 1.190 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccon1 ZINC001445101808 966099204 /nfs/dbraw/zinc/09/92/04/966099204.db2.gz AGQFPHVINAZQQG-GXTWGEPZSA-N 2 0 294.399 1.001 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccon1 ZINC001445101816 966099363 /nfs/dbraw/zinc/09/93/63/966099363.db2.gz AGQFPHVINAZQQG-TZMCWYRMSA-N 2 0 294.399 1.001 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+][C@@H](C)COC)CC1 ZINC001446187380 966479301 /nfs/dbraw/zinc/47/93/01/966479301.db2.gz YXEHDHCJPNTNIU-KBPBESRZSA-N 2 0 297.443 1.134 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001446552525 966579787 /nfs/dbraw/zinc/57/97/87/966579787.db2.gz CCAMSDMHFACWBO-GXTWGEPZSA-N 2 0 273.396 1.267 10 0 CDAERP CC[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CCOCC1 ZINC001446709658 966621578 /nfs/dbraw/zinc/62/15/78/966621578.db2.gz FZVYBCLWKAGLOI-CQSZACIVSA-N 2 0 297.443 1.136 10 0 CDAERP CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+](C)C(C)C ZINC001447032460 966684930 /nfs/dbraw/zinc/68/49/30/966684930.db2.gz AWHDRNYWDQIYGI-GJZGRUSLSA-N 2 0 281.444 1.802 10 0 CDAERP C(CN[C@@H]1CC[NH2+]C12CCCC2)C[NH+]1CCCC1 ZINC001350959466 966813469 /nfs/dbraw/zinc/81/34/69/966813469.db2.gz ZJHMGLKQESUJHH-CQSZACIVSA-N 2 0 251.418 1.737 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC1CCCC1 ZINC001447926865 966930787 /nfs/dbraw/zinc/93/07/87/966930787.db2.gz BKTGRQSDOMMUMR-KBPBESRZSA-N 2 0 283.460 2.000 10 0 CDAERP Cc1cncc(C[N@@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C)c1 ZINC001448091098 966993835 /nfs/dbraw/zinc/99/38/35/966993835.db2.gz UGJRMODWWPQUGX-CQSZACIVSA-N 2 0 292.427 1.278 10 0 CDAERP CC(C)CC[N@H+](C)[C@@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001448129374 967006011 /nfs/dbraw/zinc/00/60/11/967006011.db2.gz FLABGDKHMKKYCO-GJZGRUSLSA-N 2 0 283.460 1.811 10 0 CDAERP CC[NH2+][C@H](CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)C(C)C ZINC001448219789 967033567 /nfs/dbraw/zinc/03/35/67/967033567.db2.gz UBIQKCWSNUKOCQ-LSDHHAIUSA-N 2 0 283.460 1.811 10 0 CDAERP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)cc1 ZINC001352095022 967092116 /nfs/dbraw/zinc/09/21/16/967092116.db2.gz FMYDFQYXZFYAGN-DDNRWTCHSA-N 2 0 257.337 1.048 10 0 CDAERP CCCCC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001480117231 967092965 /nfs/dbraw/zinc/09/29/65/967092965.db2.gz IQLUFDSSGSBLPT-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1ccc(F)cc1 ZINC001448725837 967230608 /nfs/dbraw/zinc/23/06/08/967230608.db2.gz XJBCJRQEUVDLEM-CYBMUJFWSA-N 2 0 295.402 1.714 10 0 CDAERP CC[C@@H](C(=O)N[C@]12CCC[C@H]1[N@H+](CC1CC1)CC2)[NH+](C)C ZINC001449016570 967333818 /nfs/dbraw/zinc/33/38/18/967333818.db2.gz SCBPAWDOKOHDBD-UXLLHSPISA-N 2 0 293.455 1.850 10 0 CDAERP O=C(CC[N@H+]1CC[C@H](F)C1)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC001449065681 967352373 /nfs/dbraw/zinc/35/23/73/967352373.db2.gz MVMOETATLJTANS-ZFWWWQNUSA-N 2 0 297.418 1.553 10 0 CDAERP C[C@H](C(=O)N[C@@H]1C[NH+](C)CC1(C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001456161325 968878364 /nfs/dbraw/zinc/87/83/64/968878364.db2.gz XFDXALLPEGWFCU-XJFOESAGSA-N 2 0 281.444 1.704 10 0 CDAERP CC(C)c1nc(CNC(=O)[C@@H](C(C)C)[NH+](C)C)c[nH]1 ZINC001456346444 968943079 /nfs/dbraw/zinc/94/30/79/968943079.db2.gz RZSWPMALBRRFIM-GFCCVEGCSA-N 2 0 266.389 1.736 10 0 CDAERP CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)[NH2+]C(C)(C)CC)C1 ZINC001457412853 969157810 /nfs/dbraw/zinc/15/78/10/969157810.db2.gz JIFGWTSCXMNJAB-STQMWFEESA-N 2 0 269.433 1.706 10 0 CDAERP CN(CCNC1=[NH+]CCCCN1)Cc1ccc(F)cc1 ZINC000849216001 969915243 /nfs/dbraw/zinc/91/52/43/969915243.db2.gz OTRCNERTUFUURS-UHFFFAOYSA-N 2 0 278.375 1.587 10 0 CDAERP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001466146609 969928955 /nfs/dbraw/zinc/92/89/55/969928955.db2.gz QONULPIEPOCPEH-DZGCQCFKSA-N 2 0 299.434 1.609 10 0 CDAERP CC[N@H+](C)[C@@H]1CCN(C(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)C1 ZINC001413889545 970024588 /nfs/dbraw/zinc/02/45/88/970024588.db2.gz BHJJYPHJSAAKLD-UONOGXRCSA-N 2 0 296.459 1.595 10 0 CDAERP C[C@H]1CN(C(=O)CN(C)C)CC[N@@H+]1C1CCCC1 ZINC001522148156 970403715 /nfs/dbraw/zinc/40/37/15/970403715.db2.gz LKJKHPGIPHEGPD-LBPRGKRZSA-N 2 0 253.390 1.023 10 0 CDAERP C[C@@H](CNC(=O)c1ccc(CN(C)C)o1)[N@H+](C)C1CC1 ZINC001361739224 970478566 /nfs/dbraw/zinc/47/85/66/970478566.db2.gz MMUSEQKNIKUIFW-NSHDSACASA-N 2 0 279.384 1.554 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)C1([NH+](C)C)CCCC1 ZINC001361791453 970534694 /nfs/dbraw/zinc/53/46/94/970534694.db2.gz GUDLVUPBFFXPBX-CQSZACIVSA-N 2 0 281.444 1.851 10 0 CDAERP CO[C@H](C)C[NH2+][C@@H](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001371803557 972642507 /nfs/dbraw/zinc/64/25/07/972642507.db2.gz AHUXBOUILFSXBQ-UONOGXRCSA-N 2 0 299.459 1.380 10 0 CDAERP CCC[N@H+](C)CC(=O)NCC[NH+](C)C[C@@H]1CCO[C@@H](C)C1 ZINC001372194122 972842316 /nfs/dbraw/zinc/84/23/16/972842316.db2.gz YYMKMVIEWXHDDY-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)CC1CC1 ZINC001372396512 972941494 /nfs/dbraw/zinc/94/14/94/972941494.db2.gz HYZNJAFOXJVNCF-ZFWWWQNUSA-N 2 0 281.444 1.565 10 0 CDAERP O=C(CC[N@H+]1CC[C@@H](F)C1)NC[C@H]1CC[NH+](C2CC2)C1 ZINC001417615059 973198882 /nfs/dbraw/zinc/19/88/82/973198882.db2.gz ALJIURXXXRZHTH-CHWSQXEVSA-N 2 0 283.391 1.021 10 0 CDAERP CO[C@H](C)C[NH2+]CC[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001497276466 973273014 /nfs/dbraw/zinc/27/30/14/973273014.db2.gz MTXFHOQWICEMSF-ZIAGYGMSSA-N 2 0 299.459 1.238 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC001417683283 973279327 /nfs/dbraw/zinc/27/93/27/973279327.db2.gz JMQPAXHNWDRKAG-KBPBESRZSA-N 2 0 283.460 1.763 10 0 CDAERP C[NH+](C)CC1(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCF)C2)CC1 ZINC001417807054 973397160 /nfs/dbraw/zinc/39/71/60/973397160.db2.gz DFTCHTQGFHIGEF-QWHCGFSZSA-N 2 0 285.407 1.172 10 0 CDAERP C[N@H+](CCF)C[C@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001418025008 973535518 /nfs/dbraw/zinc/53/55/18/973535518.db2.gz YMNIGWHZPQLAKE-HUUCEWRRSA-N 2 0 299.434 1.468 10 0 CDAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CCCF ZINC001497926726 973578459 /nfs/dbraw/zinc/57/84/59/973578459.db2.gz JKGNBLBZLLNFMV-ZIAGYGMSSA-N 2 0 287.423 1.703 10 0 CDAERP CCCC[NH2+]C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001498066423 973655957 /nfs/dbraw/zinc/65/59/57/973655957.db2.gz MBDQWZUMXZYAHD-ZDUSSCGKSA-N 2 0 267.417 1.509 10 0 CDAERP CC(C)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001498290090 973810962 /nfs/dbraw/zinc/81/09/62/973810962.db2.gz YWEPBFUUBMEKER-MGPQQGTHSA-N 2 0 269.433 1.419 10 0 CDAERP CN(CCNC(=O)CC[NH+](C)C)Cc1cc(C2CC2)no1 ZINC001418493201 973894512 /nfs/dbraw/zinc/89/45/12/973894512.db2.gz YACHVBMKFMPQGX-UHFFFAOYSA-N 2 0 294.399 1.052 10 0 CDAERP CC(C)C[N@H+](C)C[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001498419068 973898019 /nfs/dbraw/zinc/89/80/19/973898019.db2.gz UONOJWUJPOCPRD-CQSZACIVSA-N 2 0 299.459 1.190 10 0 CDAERP CN(CCC[NH2+]Cc1ccccc1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001498526264 973968355 /nfs/dbraw/zinc/96/83/55/973968355.db2.gz NVCFDYCJTOMGJQ-MRXNPFEDSA-N 2 0 289.423 1.719 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]C(C)C)C1CC1 ZINC001498785308 974061660 /nfs/dbraw/zinc/06/16/60/974061660.db2.gz XKCKXBIJZIFBKT-HZPDHXFCSA-N 2 0 295.471 2.000 10 0 CDAERP C[C@H](C(=O)N[C@@H](C[NH2+]CCF)C1CC1)[NH+]1CCCCCC1 ZINC001498832892 974072081 /nfs/dbraw/zinc/07/20/81/974072081.db2.gz QIQXAVURTULDMV-HIFRSBDPSA-N 2 0 299.434 1.705 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H](C[NH2+]CCC2CC2)C2CC2)C1 ZINC001498848749 974077242 /nfs/dbraw/zinc/07/72/42/974077242.db2.gz FYBOLCHFHVCFCJ-HOCLYGCPSA-N 2 0 293.455 1.613 10 0 CDAERP CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001374804337 974130214 /nfs/dbraw/zinc/13/02/14/974130214.db2.gz XGUOCXHCHSXRCQ-HIFRSBDPSA-N 2 0 281.444 1.898 10 0 CDAERP C[C@H](C[N@H+](C)CCC(C)(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001375136524 974273067 /nfs/dbraw/zinc/27/30/67/974273067.db2.gz TVMVQNZIUPULKP-CQSZACIVSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC1CC1)C1CC1 ZINC001375277197 974312498 /nfs/dbraw/zinc/31/24/98/974312498.db2.gz KHZLVJAVSVPTLG-JKSUJKDBSA-N 2 0 293.455 1.755 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCF ZINC001499930445 974337896 /nfs/dbraw/zinc/33/78/96/974337896.db2.gz ZIIAZCZVPZCUHJ-LSDHHAIUSA-N 2 0 299.434 1.799 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)[C@@]12CC[N@H+](C1)CCC2)C1CCCC1 ZINC001500123456 974377967 /nfs/dbraw/zinc/37/79/67/974377967.db2.gz YRGQPLDTHWEOTO-RDJZCZTQSA-N 2 0 293.455 1.757 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001375454987 974386869 /nfs/dbraw/zinc/38/68/69/974386869.db2.gz RYUWHMDGSAEUKA-CYBMUJFWSA-N 2 0 299.434 1.847 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@](C)(C[NH2+]CCF)C1 ZINC001500391144 974430960 /nfs/dbraw/zinc/43/09/60/974430960.db2.gz XCGXWQBESDQRTE-CQSZACIVSA-N 2 0 273.396 1.126 10 0 CDAERP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CC)CC(C)(C)C1)[NH+](C)C ZINC001375690223 974455837 /nfs/dbraw/zinc/45/58/37/974455837.db2.gz STUUTPICJGGVJO-KGLIPLIRSA-N 2 0 283.460 1.953 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CC2CCC2)C1 ZINC001375865356 974498898 /nfs/dbraw/zinc/49/88/98/974498898.db2.gz CHHDEWJMBNVOBX-DOTOQJQBSA-N 2 0 293.455 1.709 10 0 CDAERP CCCC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001502738559 974772362 /nfs/dbraw/zinc/77/23/62/974772362.db2.gz QIUURCXKVGFHEL-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001376915468 974803224 /nfs/dbraw/zinc/80/32/24/974803224.db2.gz RVQRFEJBYQZYDH-STQMWFEESA-N 2 0 273.396 1.267 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001376884791 974803634 /nfs/dbraw/zinc/80/36/34/974803634.db2.gz UUYXKKNEPCOZOP-CYBMUJFWSA-N 2 0 295.402 1.760 10 0 CDAERP Cc1ncccc1C[NH2+][C@@H](C)CCNC(=O)CC[NH+](C)C ZINC001377059786 974871052 /nfs/dbraw/zinc/87/10/52/974871052.db2.gz LULMIMZZDYHMSG-ZDUSSCGKSA-N 2 0 292.427 1.326 10 0 CDAERP C[N@H+](CCCF)C[C@@H]1CCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001377683758 975111077 /nfs/dbraw/zinc/11/10/77/975111077.db2.gz JHSASEPPWDYNLI-GJZGRUSLSA-N 2 0 299.434 1.611 10 0 CDAERP CC(C)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001377863902 975155847 /nfs/dbraw/zinc/15/58/47/975155847.db2.gz SYDYVBRNKPPPQQ-LSDHHAIUSA-N 2 0 283.460 1.857 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cnoc1C ZINC001377866444 975159419 /nfs/dbraw/zinc/15/94/19/975159419.db2.gz DDZGBAVLTPDZEK-NWDGAFQWSA-N 2 0 296.415 1.308 10 0 CDAERP C[C@@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C1C[NH+](CCCF)C1 ZINC001506631139 975192483 /nfs/dbraw/zinc/19/24/83/975192483.db2.gz QBVIONXQPKXWGK-HIFRSBDPSA-N 2 0 299.434 1.657 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1C[NH+](CCCF)C1 ZINC001378020171 975207617 /nfs/dbraw/zinc/20/76/17/975207617.db2.gz JMSPILFOUYVBRY-BETUJISGSA-N 2 0 285.407 1.267 10 0 CDAERP CC[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]C/C=C/Cl ZINC001378316427 975328050 /nfs/dbraw/zinc/32/80/50/975328050.db2.gz KFECLHWYTDLZOX-DRKGASSASA-N 2 0 287.835 1.565 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001507086600 975330632 /nfs/dbraw/zinc/33/06/32/975330632.db2.gz BERPTPHVPHZCHZ-AWEZNQCLSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N[C@](C)(C[NH2+]CC2CC2)C2CC2)C1 ZINC001378409729 975346576 /nfs/dbraw/zinc/34/65/76/975346576.db2.gz MGAFOAUCCHUVPV-SUMWQHHRSA-N 2 0 293.455 1.613 10 0 CDAERP CC[C@H](C)C[NH+]1CC([C@@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001378525034 975377310 /nfs/dbraw/zinc/37/73/10/975377310.db2.gz BJXDIDGHYMOLHJ-UONOGXRCSA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)C[NH2+]CC(C)C)CC[N@@H+]1C ZINC001378544708 975385699 /nfs/dbraw/zinc/38/56/99/975385699.db2.gz FOWCIVUDGFHZGC-QLFBSQMISA-N 2 0 283.460 1.715 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]CCC(C)(C)C)CN1C(=O)CC[NH+](C)C ZINC001507318786 975413710 /nfs/dbraw/zinc/41/37/10/975413710.db2.gz JMMXBZSCCZJQGQ-UONOGXRCSA-N 2 0 283.460 1.953 10 0 CDAERP CCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001404585108 975427707 /nfs/dbraw/zinc/42/77/07/975427707.db2.gz HYRGPDJORAFBRB-CABCVRRESA-N 2 0 281.444 1.519 10 0 CDAERP CC[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CCCC1 ZINC001378699342 975446982 /nfs/dbraw/zinc/44/69/82/975446982.db2.gz WNCLYZFTUUPZAV-CQSZACIVSA-N 2 0 279.428 1.367 10 0 CDAERP O=C(N[C@H]1CC[C@@H](C[NH2+]CCF)C1)C12CCC[NH+]1CCC2 ZINC001507400094 975453736 /nfs/dbraw/zinc/45/37/36/975453736.db2.gz CHEKDKFNURIJHM-KGLIPLIRSA-N 2 0 297.418 1.459 10 0 CDAERP O=C(NC[C@H]1C[C@@H]([NH2+]C/C=C\Cl)C1)C12CC[NH+](CC1)C2 ZINC001397094548 975459522 /nfs/dbraw/zinc/45/95/22/975459522.db2.gz HSZLAURVOMNQIG-JMYYQDLTSA-N 2 0 297.830 1.319 10 0 CDAERP CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(C)C)C1)[NH+](C)C ZINC001397161439 975482185 /nfs/dbraw/zinc/48/21/85/975482185.db2.gz WXIDXMROPFFGKY-RRFJBIMHSA-N 2 0 283.460 1.857 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC2(C[NH+](CCC3CC3)C2)CC1 ZINC001401193156 975501680 /nfs/dbraw/zinc/50/16/80/975501680.db2.gz KDLGHGMVHWXOFR-UHFFFAOYSA-N 2 0 293.455 1.663 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1CC[N@H+](CC2CC2)[C@@H]1C ZINC001397241043 975511417 /nfs/dbraw/zinc/51/14/17/975511417.db2.gz LNGGKKWVQJQDBP-SNPRPXQTSA-N 2 0 299.434 1.655 10 0 CDAERP Cc1nocc1C[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+](C)C(C)C ZINC001401268646 975555582 /nfs/dbraw/zinc/55/55/82/975555582.db2.gz ZPAFLPVHKRKFOR-LBPRGKRZSA-N 2 0 296.415 1.260 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccsc2)C1 ZINC001388727816 975570876 /nfs/dbraw/zinc/57/08/76/975570876.db2.gz XUSPUEITEKDHPS-HDJSIYSDSA-N 2 0 295.452 1.684 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001388744347 975578237 /nfs/dbraw/zinc/57/82/37/975578237.db2.gz MNJNTVGKEPOJBX-IHRRRGAJSA-N 2 0 285.407 1.315 10 0 CDAERP CC[C@@H](C[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CCCC1)OC ZINC001397552271 975625538 /nfs/dbraw/zinc/62/55/38/975625538.db2.gz HQKTUHOREXRNQN-CABCVRRESA-N 2 0 297.443 1.040 10 0 CDAERP CC(C)(C(=O)NC[C@H]1C[C@@H]([NH2+]CCF)C1)[NH+]1CCCC1 ZINC001397636823 975665858 /nfs/dbraw/zinc/66/58/58/975665858.db2.gz YQPNZWXZDNXENW-BETUJISGSA-N 2 0 285.407 1.315 10 0 CDAERP CC[NH2+][C@@H]1CC[C@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001397705780 975684167 /nfs/dbraw/zinc/68/41/67/975684167.db2.gz AFTXKQQRUAEBQR-ZNMIVQPWSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)[NH2+]CC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001401606594 975728027 /nfs/dbraw/zinc/72/80/27/975728027.db2.gz QRXGISNZCYJHTL-LSDHHAIUSA-N 2 0 283.460 2.000 10 0 CDAERP CC[C@H](F)C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCCC1 ZINC001405772794 975857848 /nfs/dbraw/zinc/85/78/48/975857848.db2.gz IHLMEOAXOIUXCO-AWEZNQCLSA-N 2 0 299.434 1.849 10 0 CDAERP Cc1cc(C[NH2+]C[C@H](C)N(C)C(=O)CC[NH+](C)C)cs1 ZINC001405857005 975911230 /nfs/dbraw/zinc/91/12/30/975911230.db2.gz UZNWWFRBZFNNLF-LBPRGKRZSA-N 2 0 297.468 1.945 10 0 CDAERP CC(C)[C@@H](C(=O)NC[C@H]1CC[N@@H+]1CC1CCCC1)[NH+](C)C ZINC001401886768 975974786 /nfs/dbraw/zinc/97/47/86/975974786.db2.gz FHYVOMSXDKFODQ-CVEARBPZSA-N 2 0 295.471 1.953 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@@H]1[NH+](C(C)C)CC2 ZINC001379637148 975977789 /nfs/dbraw/zinc/97/77/89/975977789.db2.gz SJSCGMAJGJSOBV-HOCLYGCPSA-N 2 0 281.444 1.850 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]([NH2+]CCC(C)(C)C)C2)C1 ZINC001389803729 975997992 /nfs/dbraw/zinc/99/79/92/975997992.db2.gz CGGSJJCVENQREV-CABCVRRESA-N 2 0 295.471 1.955 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]([NH2+]CC2CC2)C1 ZINC001398484924 976004501 /nfs/dbraw/zinc/00/45/01/976004501.db2.gz FRVRPYXIQCEFKV-UONOGXRCSA-N 2 0 285.407 1.267 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001401917139 976004837 /nfs/dbraw/zinc/00/48/37/976004837.db2.gz KRNWKKHZMNQRKT-GJZGRUSLSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2cncn2C)C1 ZINC001390013144 976084131 /nfs/dbraw/zinc/08/41/31/976084131.db2.gz XXQUQNSXVKGYKC-UPJWGTAASA-N 2 0 278.400 1.246 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@@](C)(C[NH2+]CC2CCCC2)C1 ZINC001402203035 976175324 /nfs/dbraw/zinc/17/53/24/976175324.db2.gz WAEAIYRMKFDDFV-KRWDZBQOSA-N 2 0 295.471 1.957 10 0 CDAERP CC1CC(C[NH2+]C[C@]2(C)CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001402207100 976179637 /nfs/dbraw/zinc/17/96/37/976179637.db2.gz YYRFBMNSLCLUPX-DQPZFDDXSA-N 2 0 295.471 1.812 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1CC[C@H]1CCCCO1 ZINC001380017400 976190414 /nfs/dbraw/zinc/19/04/14/976190414.db2.gz RVLOLJAFFVQKBZ-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC1CCC1 ZINC001398929763 976250593 /nfs/dbraw/zinc/25/05/93/976250593.db2.gz UPARUIMWADCJPM-ZFWWWQNUSA-N 2 0 281.444 1.754 10 0 CDAERP C[C@@H](NC(=O)CCC[NH+](C)C)C1CC[NH+](CCF)CC1 ZINC001380128104 976252306 /nfs/dbraw/zinc/25/23/06/976252306.db2.gz ANDKKXWTUNISBY-CYBMUJFWSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001398951877 976264932 /nfs/dbraw/zinc/26/49/32/976264932.db2.gz PKONZTRIUANYND-VXGBXAGGSA-N 2 0 273.396 1.313 10 0 CDAERP CC[C@H](C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C)OC ZINC001402401900 976266832 /nfs/dbraw/zinc/26/68/32/976266832.db2.gz QSILJOYVRBSINS-QLFBSQMISA-N 2 0 297.443 1.038 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]Cc2cncs2)CC1 ZINC001380170467 976278989 /nfs/dbraw/zinc/27/89/89/976278989.db2.gz KOJQJHDDCZOWNE-UHFFFAOYSA-N 2 0 296.440 1.222 10 0 CDAERP CC(C)(C(=O)N[C@H](C[NH2+]CC1CC1)C1CC1)[NH+]1CCCC1 ZINC001406781120 976404935 /nfs/dbraw/zinc/40/49/35/976404935.db2.gz XOFWAJSYLFLLBM-OAHLLOKOSA-N 2 0 293.455 1.755 10 0 CDAERP C[C@@H](CCNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CCC1CC1 ZINC001390717270 976450290 /nfs/dbraw/zinc/45/02/90/976450290.db2.gz VWPQSSWSRAMKMF-DZGCQCFKSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@H](CNC(=O)CCC[NH+](C)C)[NH2+]CC1CC(C)(C)C1 ZINC001402988234 976646430 /nfs/dbraw/zinc/64/64/30/976646430.db2.gz WQYXEHWTLDGJAX-CYBMUJFWSA-N 2 0 283.460 1.859 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001391114274 976698132 /nfs/dbraw/zinc/69/81/32/976698132.db2.gz KYSXBRZGSYDOJI-GJZGRUSLSA-N 2 0 281.444 1.566 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001399921201 976746099 /nfs/dbraw/zinc/74/60/99/976746099.db2.gz YQBQSASKYYLUHA-KGLIPLIRSA-N 2 0 299.434 1.657 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccn1)[NH+](C)C ZINC001403138305 976757134 /nfs/dbraw/zinc/75/71/34/976757134.db2.gz IFGGTSKGOJYMJX-UKRRQHHQSA-N 2 0 292.427 1.358 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H](C)C1C[NH+](CC)C1 ZINC001403303504 976868201 /nfs/dbraw/zinc/86/82/01/976868201.db2.gz NEFWVLIBHKLXCU-WCQYABFASA-N 2 0 273.396 1.123 10 0 CDAERP CC(C)[NH+]1CC([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001403326315 976883554 /nfs/dbraw/zinc/88/35/54/976883554.db2.gz MBPJUERCYVTAQC-CYBMUJFWSA-N 2 0 281.444 1.706 10 0 CDAERP CO[C@H](C)C[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001381560218 976913131 /nfs/dbraw/zinc/91/31/31/976913131.db2.gz PDAKQADJMMJRLA-UONOGXRCSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CC2CCC2)C1 ZINC001400309291 976978210 /nfs/dbraw/zinc/97/82/10/976978210.db2.gz QCXIFEQZLLTRQW-HNNXBMFYSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CC[NH+](CC2CCC2)C1 ZINC001391628137 977000575 /nfs/dbraw/zinc/00/05/75/977000575.db2.gz YTRVAKKJDCBPLJ-HNNXBMFYSA-N 2 0 281.444 1.659 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CCC1CC1 ZINC001403564110 977068090 /nfs/dbraw/zinc/06/80/90/977068090.db2.gz KOURQSFYJJTDKN-OAHLLOKOSA-N 2 0 279.428 1.176 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001400628823 977113193 /nfs/dbraw/zinc/11/31/93/977113193.db2.gz HZRKJBBCESTEFR-CABCVRRESA-N 2 0 281.444 1.565 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NCCC2CC[NH+](CCF)CC2)C1 ZINC001391849574 977117196 /nfs/dbraw/zinc/11/71/96/977117196.db2.gz XDGMOAMCQFXYSK-OAHLLOKOSA-N 2 0 299.434 1.516 10 0 CDAERP Cc1cnc(C[NH2+][C@H](C)CN(C)C(=O)CC[NH+](C)C)s1 ZINC001382111179 977168534 /nfs/dbraw/zinc/16/85/34/977168534.db2.gz HIOVBSOHWDKHNT-LLVKDONJSA-N 2 0 298.456 1.340 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)CCOC ZINC001403866581 977235850 /nfs/dbraw/zinc/23/58/50/977235850.db2.gz LGKYTCUAXIJRPG-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)CC1CC(C)C1 ZINC001403919954 977260719 /nfs/dbraw/zinc/26/07/19/977260719.db2.gz FDLIKIIOWCWWJH-UHFFFAOYSA-N 2 0 293.455 1.566 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCC[NH+]2CCCF)C1 ZINC001404090822 977332667 /nfs/dbraw/zinc/33/26/67/977332667.db2.gz KNIZTLWPEXCMIO-UONOGXRCSA-N 2 0 285.407 1.268 10 0 CDAERP CCC[N@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)C1CC1 ZINC001404300399 977403707 /nfs/dbraw/zinc/40/37/07/977403707.db2.gz TWSORWUDXJXOIM-OKILXGFUSA-N 2 0 281.444 1.850 10 0 CDAERP C[C@@H](C[NH2+]CC1CCC1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001392576661 977492561 /nfs/dbraw/zinc/49/25/61/977492561.db2.gz UBSQMILKMAUROE-DZGCQCFKSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H](F)CC[N@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001392662300 977537052 /nfs/dbraw/zinc/53/70/52/977537052.db2.gz SYVKZXPTSPZCSH-CHWSQXEVSA-N 2 0 287.423 1.655 10 0 CDAERP CCC1([NH2+]CC(C)C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001393678079 977891906 /nfs/dbraw/zinc/89/19/06/977891906.db2.gz AJDAXXKBRXADSB-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP CC1([NH2+]CCF)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001393752721 977907577 /nfs/dbraw/zinc/90/75/77/977907577.db2.gz ZPXDRMZSDOLWFE-UHFFFAOYSA-N 2 0 271.380 1.022 10 0 CDAERP CC(C)CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001394224571 978110494 /nfs/dbraw/zinc/11/04/94/978110494.db2.gz ZRWFOVHXDSCXFW-HOCLYGCPSA-N 2 0 295.471 1.953 10 0 CDAERP Cc1cccnc1C[NH2+][C@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001394515417 978191538 /nfs/dbraw/zinc/19/15/38/978191538.db2.gz ACLVFBDOQGEYTO-CQSZACIVSA-N 2 0 292.427 1.278 10 0 CDAERP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CCc1cccs1 ZINC001394524417 978193198 /nfs/dbraw/zinc/19/31/98/978193198.db2.gz WCLFOZVDQXAGRS-ZDUSSCGKSA-N 2 0 297.468 1.679 10 0 CDAERP CC(C)[NH2+][C@H](C)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001674720214 1173995758 /nfs/dbraw/zinc/99/57/58/1173995758.db2.gz AAZLCWMXHKCQCX-NEPJUHHUSA-N 2 0 255.406 1.219 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)C(C)C ZINC001674937470 1174039061 /nfs/dbraw/zinc/03/90/61/1174039061.db2.gz GJNAQPZAPWDFHZ-UONOGXRCSA-N 2 0 269.433 1.706 10 0 CDAERP CCOCC[NH+]1CC([C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001570860063 1170304031 /nfs/dbraw/zinc/30/40/31/1170304031.db2.gz LKPDQTIQYIILJF-UKRRQHHQSA-N 2 0 299.459 1.046 10 0 CDAERP CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001571301681 1170362193 /nfs/dbraw/zinc/36/21/93/1170362193.db2.gz ZUTBABVYJNBJFI-IHRRRGAJSA-N 2 0 269.433 1.611 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001671251986 1171213779 /nfs/dbraw/zinc/21/37/79/1171213779.db2.gz QYGCNLRMFHZYKO-CABCVRRESA-N 2 0 293.455 1.851 10 0 CDAERP CCOC(=O)CCCC[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC001653163030 1171514154 /nfs/dbraw/zinc/51/41/54/1171514154.db2.gz JBFAHUIKUXUKOE-UHFFFAOYSA-N 2 0 299.459 1.289 10 0 CDAERP CC(C)C[N@H+](C)CCCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000650740629 398171595 /nfs/dbraw/zinc/17/15/95/398171595.db2.gz NNCJYMMVDONFNK-IXDOHACOSA-N 2 0 297.487 1.711 10 0 CDAERP C[NH2+]Cc1ccccc1C[NH2+]Cc1cnc(N)s1 ZINC000650720737 398160466 /nfs/dbraw/zinc/16/04/66/398160466.db2.gz ZXKDDZPNUGTFRN-UHFFFAOYSA-N 2 0 262.382 1.565 10 0 CDAERP C[C@H](CC[NH2+][C@@H](C)C1CC[NH+](C)CC1)[S@](C)=O ZINC000252732741 342552725 /nfs/dbraw/zinc/55/27/25/342552725.db2.gz WNAUIPNZVKQAEA-PEBVRCNWSA-N 2 0 260.447 1.463 10 0 CDAERP [NH3+][C@H]1CCN(c2cc[nH+]c(NCc3ccccn3)c2)C1 ZINC000116601133 342045629 /nfs/dbraw/zinc/04/56/29/342045629.db2.gz QELWZPBWFJCSMK-LBPRGKRZSA-N 2 0 269.352 1.626 10 0 CDAERP [NH3+]CCC[NH+]1CCC2(CC1)OC(=O)c1ccccc12 ZINC000138757778 342049596 /nfs/dbraw/zinc/04/95/96/342049596.db2.gz QVKKGRARVAPOEE-UHFFFAOYSA-N 2 0 260.337 1.497 10 0 CDAERP Cc1nccn1CCC[N@@H+](C)C[C@H](O)CC1(O)CCC1 ZINC000625262755 342060104 /nfs/dbraw/zinc/06/01/04/342060104.db2.gz GIGDMCGTLPTCIH-CQSZACIVSA-N 2 0 281.400 1.179 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)[NH+](C)C ZINC000617012139 342604266 /nfs/dbraw/zinc/60/42/66/342604266.db2.gz VJCCVHFJACLCKW-NWDGAFQWSA-N 2 0 255.406 1.316 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000617014107 342607932 /nfs/dbraw/zinc/60/79/32/342607932.db2.gz FVELNWQYKFPLOS-LBPRGKRZSA-N 2 0 255.406 1.317 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000650918554 398265814 /nfs/dbraw/zinc/26/58/14/398265814.db2.gz GUNIQQALHGEVDB-HUUCEWRRSA-N 2 0 298.475 1.746 10 0 CDAERP c1ccc(C[N@@H+]2CCOC[C@@H]2C2CC[NH2+]CC2)cc1 ZINC000096949604 185138556 /nfs/dbraw/zinc/13/85/56/185138556.db2.gz JTUVGGKVSBIUFW-MRXNPFEDSA-N 2 0 260.381 1.887 10 0 CDAERP CN1CC[NH2+]CC12CC[NH+](Cc1ccccc1)CC2 ZINC000096949969 185138960 /nfs/dbraw/zinc/13/89/60/185138960.db2.gz VUJBBNJYOTURBW-UHFFFAOYSA-N 2 0 259.397 1.556 10 0 CDAERP c1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[NH2+]CCO3)C2)cc1 ZINC000096949596 185139289 /nfs/dbraw/zinc/13/92/89/185139289.db2.gz RZCMOAWRTBEFSK-HOTGVXAUSA-N 2 0 260.381 1.887 10 0 CDAERP CCc1cc(NC[C@H]2COCCN2C)c2ccccc2[nH+]1 ZINC000624621009 342206681 /nfs/dbraw/zinc/20/66/81/342206681.db2.gz RGTPXBZQZLFXAR-AWEZNQCLSA-N 2 0 285.391 1.962 10 0 CDAERP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CCOCCC[NH3+] ZINC000629398036 361930741 /nfs/dbraw/zinc/93/07/41/361930741.db2.gz KJCATGWGSIGFLI-ZDUSSCGKSA-N 2 0 294.395 1.691 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1nc2c(s1)CCC2 ZINC000629401571 361940666 /nfs/dbraw/zinc/94/06/66/361940666.db2.gz SCZBHCIHNDMEJM-UHFFFAOYSA-N 2 0 255.387 1.087 10 0 CDAERP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000333731089 539054825 /nfs/dbraw/zinc/05/48/25/539054825.db2.gz WEHJBOZEDJEFNH-WFASDCNBSA-N 2 0 294.443 1.301 10 0 CDAERP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333732383 539054830 /nfs/dbraw/zinc/05/48/30/539054830.db2.gz HZKYWBPUOINZEV-RBSFLKMASA-N 2 0 296.459 1.548 10 0 CDAERP COC(=O)c1coc([C@@H](C)[NH2+]CCOCCC[NH3+])c1 ZINC000600710678 342243617 /nfs/dbraw/zinc/24/36/17/342243617.db2.gz QEEJEIDTKYXXII-SNVBAGLBSA-N 2 0 270.329 1.082 10 0 CDAERP NC(=O)[C@@H]1CCCN1CCC[NH2+][C@H]1CCCSCC1 ZINC000624086540 342270855 /nfs/dbraw/zinc/27/08/55/342270855.db2.gz KRLXQHZXCAYLDU-STQMWFEESA-N 2 0 285.457 1.202 10 0 CDAERP C(CC[NH+]1CCOCC1)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000166177655 539129195 /nfs/dbraw/zinc/12/91/95/539129195.db2.gz BSGUGLZYTHZNSL-CVEARBPZSA-N 2 0 281.444 1.315 10 0 CDAERP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000594937498 342977938 /nfs/dbraw/zinc/97/79/38/342977938.db2.gz PGQSPTHLGXZSIQ-HKKVPVCXSA-N 2 0 280.412 1.791 10 0 CDAERP Cn1cncc1CCCN1CCOC[C@H]1CC(F)F ZINC000565174160 362112759 /nfs/dbraw/zinc/11/27/59/362112759.db2.gz SHXVURKMCUHFHN-GFCCVEGCSA-N 2 0 273.327 1.709 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000645105263 362118633 /nfs/dbraw/zinc/11/86/33/362118633.db2.gz XSXMUQHBRMDLLE-RWMBFGLXSA-N 2 0 253.390 1.104 10 0 CDAERP CCC[NH2+][C@H](C)C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000645104523 362118968 /nfs/dbraw/zinc/11/89/68/362118968.db2.gz OAGLGNXCSLBJLS-HZSPNIEDSA-N 2 0 267.417 1.365 10 0 CDAERP Cc1ccc(C[N@@H+]2C[C@@H](CO)C3(C2)CC[NH2+]CC3)s1 ZINC000169789459 362141613 /nfs/dbraw/zinc/14/16/13/362141613.db2.gz MFOPPQNOJDGWNA-ZDUSSCGKSA-N 2 0 280.437 1.850 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](CC(C)C)c1ccccn1 ZINC000629529506 362157652 /nfs/dbraw/zinc/15/76/52/362157652.db2.gz FKOGFDOPPBILCU-HNNXBMFYSA-N 2 0 265.401 1.994 10 0 CDAERP CCO[C@H]1C[C@H]([NH2+]CCOCC[NH2+]C)C12CCCC2 ZINC000629529481 362157880 /nfs/dbraw/zinc/15/78/80/362157880.db2.gz DXECGYSUVJVOTQ-KBPBESRZSA-N 2 0 270.417 1.550 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc(F)c(OC)c1 ZINC000629529958 362160995 /nfs/dbraw/zinc/16/09/95/362160995.db2.gz RKCNUNOTZQPXSB-NSHDSACASA-N 2 0 270.348 1.721 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)COC(C)C)C1 ZINC000572512027 362166758 /nfs/dbraw/zinc/16/67/58/362166758.db2.gz AWMALXZEWVBQGT-CVEARBPZSA-N 2 0 286.460 1.730 10 0 CDAERP Nc1nc(N2CC[C@@H]([NH+]3CC=CC3)C2)c2c([nH+]1)CCCC2 ZINC000645180402 362225623 /nfs/dbraw/zinc/22/56/23/362225623.db2.gz WKRNIEBGMGNNOL-GFCCVEGCSA-N 2 0 285.395 1.218 10 0 CDAERP Cc1cc(C[NH2+][C@H](C)CN2CC[NH+](C)CC2)cs1 ZINC000294990634 199287670 /nfs/dbraw/zinc/28/76/70/199287670.db2.gz HLYSHZDFMPEQLV-GFCCVEGCSA-N 2 0 267.442 1.782 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@@H]([NH3+])CC(F)F)cc1 ZINC000572958930 362250576 /nfs/dbraw/zinc/25/05/76/362250576.db2.gz RTRJTTCTPVTFQQ-KCJUWKMLSA-N 2 0 271.311 1.305 10 0 CDAERP Cc1nc(C)c(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)o1 ZINC000628217042 362277880 /nfs/dbraw/zinc/27/78/80/362277880.db2.gz IKUSXRYZOVYYCM-CQSZACIVSA-N 2 0 281.400 1.618 10 0 CDAERP COC(=O)c1ccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)[nH]1 ZINC000601973604 344300747 /nfs/dbraw/zinc/30/07/47/344300747.db2.gz RHGYDAJLOASNET-LLVKDONJSA-N 2 0 279.384 1.669 10 0 CDAERP CC(C)(C)[NH2+]CCNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000569690559 362409665 /nfs/dbraw/zinc/40/96/65/362409665.db2.gz GMGUJJKSJUFYJP-OLZOCXBDSA-N 2 0 269.433 1.788 10 0 CDAERP COC[C@]1(CNC(=O)CC[C@H]2CCCC[N@@H+]2C)CCC[NH2+]1 ZINC000566204808 370646419 /nfs/dbraw/zinc/64/64/19/370646419.db2.gz HACBJULGYOEGKJ-GDBMZVCRSA-N 2 0 297.443 1.136 10 0 CDAERP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)[C@@H]1CCCCO1 ZINC000623888792 345616431 /nfs/dbraw/zinc/61/64/31/345616431.db2.gz UXUWTLUBWACSLB-CVEARBPZSA-N 2 0 283.460 1.561 10 0 CDAERP c1ncn2c1c(N[C@@H]1CC[N@@H+](C3CC3)C1)nc1ccccc12 ZINC000623891470 345654563 /nfs/dbraw/zinc/65/45/63/345654563.db2.gz MYMZWAXFDKMLAR-GFCCVEGCSA-N 2 0 293.374 1.953 10 0 CDAERP CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)[C@@H]1CC[N@H+](C)C1 ZINC000617554532 345849973 /nfs/dbraw/zinc/84/99/73/345849973.db2.gz DSROUERJBZYMEC-LSDHHAIUSA-N 2 0 281.444 1.804 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CCCN2CCOCC2)CC1(C)C ZINC000623335877 346064950 /nfs/dbraw/zinc/06/49/50/346064950.db2.gz JTLKZGDWCOVPGP-CQSZACIVSA-N 2 0 269.433 1.171 10 0 CDAERP CC(C)C[NH+]1CCN(CCCC[C@](C)(O)C[NH3+])CC1 ZINC000085302222 179011435 /nfs/dbraw/zinc/01/14/35/179011435.db2.gz ZPDKWLYRKYIWEZ-HNNXBMFYSA-N 2 0 271.449 1.140 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000085359750 179031819 /nfs/dbraw/zinc/03/18/19/179031819.db2.gz LRYMECJSDHUNMI-ZIAGYGMSSA-N 2 0 267.417 1.495 10 0 CDAERP C[NH+](C)C[C@H](NC(=O)[C@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000085370826 179040645 /nfs/dbraw/zinc/04/06/45/179040645.db2.gz TVZGEGXSEWGIIF-KKUMJFAQSA-N 2 0 275.396 1.533 10 0 CDAERP CC(C)OC[C@H](C)[NH2+]C[C@H]1CCCCN1CCO ZINC000449395902 362691063 /nfs/dbraw/zinc/69/10/63/362691063.db2.gz JYHWUFWWZPUVLK-UONOGXRCSA-N 2 0 258.406 1.236 10 0 CDAERP Cc1c(C[N@@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)cnn1C ZINC000571622937 362707428 /nfs/dbraw/zinc/70/74/28/362707428.db2.gz GMXQKSANGAPAOL-AAEUAGOBSA-N 2 0 250.390 1.548 10 0 CDAERP CNC(=O)CCC[N@@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403619 179052965 /nfs/dbraw/zinc/05/29/65/179052965.db2.gz PVASULTXCJZIPT-OAHLLOKOSA-N 2 0 281.444 1.757 10 0 CDAERP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)C1C[NH2+]C1 ZINC000263296844 362713830 /nfs/dbraw/zinc/71/38/30/362713830.db2.gz MLIJVXFSUWUWLF-LBPRGKRZSA-N 2 0 279.409 1.221 10 0 CDAERP CC(C)N1CC[C@@H](N[C@H]2CC[N@H+](C)C(C)(C)C2)C1=O ZINC000623419914 346412352 /nfs/dbraw/zinc/41/23/52/346412352.db2.gz BHHAXRNXUIHMPG-QWHCGFSZSA-N 2 0 267.417 1.458 10 0 CDAERP C[C@H]([NH3+])CCC(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000584778753 346431387 /nfs/dbraw/zinc/43/13/87/346431387.db2.gz XTWRGZPSALNOEX-JTQLQIEISA-N 2 0 250.346 1.209 10 0 CDAERP CCc1nc2c(n1C[C@@H]1CC[N@@H+](CC)C1)CC[NH2+]C2 ZINC000085570469 179096101 /nfs/dbraw/zinc/09/61/01/179096101.db2.gz FXCGBUDIVWMYLY-GFCCVEGCSA-N 2 0 262.401 1.433 10 0 CDAERP C[C@H]1CC[NH2+][C@@H](C2CC2)C[N@@H+]1CCCn1ccnc1 ZINC000085626133 179106912 /nfs/dbraw/zinc/10/69/12/179106912.db2.gz CXVBZSQRRKZJEN-DZGCQCFKSA-N 2 0 262.401 1.736 10 0 CDAERP C[C@H]1C[N@H+](CCCOCC(F)(F)F)CCC[NH2+]1 ZINC000085610201 179101896 /nfs/dbraw/zinc/10/18/96/179101896.db2.gz LZAQTKGTOYYLEC-JTQLQIEISA-N 2 0 254.296 1.639 10 0 CDAERP COCCOCC[N@@H+]1C[C@@H](C(C)C)[NH2+]CC[C@@H]1C ZINC000085618333 179103804 /nfs/dbraw/zinc/10/38/04/179103804.db2.gz VBSBHALYXMELFE-KBPBESRZSA-N 2 0 258.406 1.358 10 0 CDAERP C[C@@H]1CC[N@H+](CCN[C@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623437374 346755648 /nfs/dbraw/zinc/75/56/48/346755648.db2.gz CVWJVVMTGCXGIW-KGLIPLIRSA-N 2 0 253.434 1.791 10 0 CDAERP CCC[NH2+][C@H](CCO)CN(C)CC1CC[NH+](C)CC1 ZINC000085923053 179201636 /nfs/dbraw/zinc/20/16/36/179201636.db2.gz WRRPCXZOZYUKRC-OAHLLOKOSA-N 2 0 271.449 1.011 10 0 CDAERP CC[C@H]1C[NH2+][C@](C)(CC)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223129 179252382 /nfs/dbraw/zinc/25/23/82/179252382.db2.gz KUBRSLNCMZHRGI-QLFBSQMISA-N 2 0 253.434 1.791 10 0 CDAERP CC(C)[C@@H]1C[NH2+]C(C)(C)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223114 179252494 /nfs/dbraw/zinc/25/24/94/179252494.db2.gz ZNZXBLGEWIXOIC-KGLIPLIRSA-N 2 0 253.434 1.647 10 0 CDAERP CC[C@@H]1C[NH2+]C(C)(C)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086259669 179259065 /nfs/dbraw/zinc/25/90/65/179259065.db2.gz LCCJVSICZANBRE-TZMCWYRMSA-N 2 0 251.418 1.686 10 0 CDAERP C[N@@H+]1CC[C@@H](NC[C@H]2CCCC[NH+]2CCO)CC1(C)C ZINC000623536085 347620024 /nfs/dbraw/zinc/62/00/24/347620024.db2.gz LOAVFLFJRCKYTE-HUUCEWRRSA-N 2 0 283.460 1.296 10 0 CDAERP C[C@H](Cc1cnn(C)c1)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623541004 347622628 /nfs/dbraw/zinc/62/26/28/347622628.db2.gz QBDBQMAFDKCWOA-OCCSQVGLSA-N 2 0 264.417 1.814 10 0 CDAERP CO[C@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)[C@H]1CCOC1 ZINC000623562422 347633574 /nfs/dbraw/zinc/63/35/74/347633574.db2.gz RIGIKBHEQRBKEO-MELADBBJSA-N 2 0 270.417 1.500 10 0 CDAERP [NH3+]C/C=C\CNC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000641870026 365954906 /nfs/dbraw/zinc/95/49/06/365954906.db2.gz MSYVCBKNFOFSPV-PLNGDYQASA-N 2 0 280.416 1.161 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](C[C@H](COC)OC)CC1 ZINC000659843197 412541985 /nfs/dbraw/zinc/54/19/85/412541985.db2.gz NBELJQKDMOOEQO-OAHLLOKOSA-N 2 0 272.433 1.702 10 0 CDAERP COC[C@H](C)[N@H+](C)Cc1occc1C[NH2+]C1CC1 ZINC000052511448 522596744 /nfs/dbraw/zinc/59/67/44/522596744.db2.gz CIFYOQVFXHSNQI-NSHDSACASA-N 2 0 252.358 1.998 10 0 CDAERP COc1ccc([C@H]([NH3+])[C@@H](C)N(C)CC[NH+](C)C)cc1 ZINC000104187887 185920288 /nfs/dbraw/zinc/92/02/88/185920288.db2.gz GDLKFZMTJTTXON-IUODEOHRSA-N 2 0 265.401 1.577 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC000615603353 348608904 /nfs/dbraw/zinc/60/89/04/348608904.db2.gz ONKZWWJJDLRULE-ZBFHGGJFSA-N 2 0 279.428 1.273 10 0 CDAERP C[C@H]1C[NH2+]C[C@H]1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000104214810 185933756 /nfs/dbraw/zinc/93/37/56/185933756.db2.gz MTYLFIGYULXRQO-WCQYABFASA-N 2 0 267.417 1.221 10 0 CDAERP C[C@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000104445939 186005239 /nfs/dbraw/zinc/00/52/39/186005239.db2.gz ICVBUFMMTWYQJF-RYUDHWBXSA-N 2 0 253.390 1.057 10 0 CDAERP C[C@@H]([NH2+]CCOCCC[NH3+])c1ccc2c(c1)OCCCO2 ZINC000629540277 362951159 /nfs/dbraw/zinc/95/11/59/362951159.db2.gz OMLWNWUHVBPEHO-CYBMUJFWSA-N 2 0 294.395 1.864 10 0 CDAERP CCC1(CC)[C@@H]([NH2+]CCOCCC[NH3+])C[C@@H]1OC ZINC000629539548 362958005 /nfs/dbraw/zinc/95/80/05/362958005.db2.gz PZPLMQKRXLYUCL-STQMWFEESA-N 2 0 258.406 1.535 10 0 CDAERP COc1ccc2c(c1)[C@H]([NH2+]CCOCCC[NH3+])CCCO2 ZINC000629541236 362964788 /nfs/dbraw/zinc/96/47/88/362964788.db2.gz YOBHLAQFOTVFIF-OAHLLOKOSA-N 2 0 294.395 1.864 10 0 CDAERP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000629554297 362982172 /nfs/dbraw/zinc/98/21/72/362982172.db2.gz HKPLWDYMGIXPDL-XPABHHOTSA-N 2 0 252.402 1.922 10 0 CDAERP CCn1nccc1CC[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000621773920 350770194 /nfs/dbraw/zinc/77/01/94/350770194.db2.gz GJEATXZMJGASGK-UHFFFAOYSA-N 2 0 262.401 1.662 10 0 CDAERP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+](C)CCOCC[NH2+]C ZINC000629566278 363011618 /nfs/dbraw/zinc/01/16/18/363011618.db2.gz ISIYIKUGHBOYOL-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1cccnc1C(F)(F)F ZINC000629572248 363027763 /nfs/dbraw/zinc/02/77/63/363027763.db2.gz PHFRTCWGBYZWQN-UHFFFAOYSA-N 2 0 291.317 1.768 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CN[C@H]1CC[NH+](C)[C@H]2CCC[C@H]21 ZINC000624101741 351420292 /nfs/dbraw/zinc/42/02/92/351420292.db2.gz ZDYXUSTXOZYHOG-QPSCCSFWSA-N 2 0 251.418 1.543 10 0 CDAERP O[C@H](C[NH2+]CCC[C@H]1CCCC[C@H]1O)C[NH+]1CCCC1 ZINC000629584226 363038925 /nfs/dbraw/zinc/03/89/25/363038925.db2.gz RSLNCWZBTQKDJU-BZUAXINKSA-N 2 0 284.444 1.364 10 0 CDAERP C[N@H+](CCNC(=O)N[C@H]1CCCC[NH2+]C1)C1CCCC1 ZINC000333587684 363046815 /nfs/dbraw/zinc/04/68/15/363046815.db2.gz OGPOSQYRKFDPEP-ZDUSSCGKSA-N 2 0 282.432 1.302 10 0 CDAERP CCO[C@H](C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1)C1CC1 ZINC000629592122 363078749 /nfs/dbraw/zinc/07/87/49/363078749.db2.gz PMQRDLSPEJXCCE-DLBZAZTESA-N 2 0 296.455 1.892 10 0 CDAERP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)[C@H]1CC1(C)C ZINC000487328205 366039528 /nfs/dbraw/zinc/03/95/28/366039528.db2.gz UUAXWNKRUDYYIH-MELADBBJSA-N 2 0 281.444 1.598 10 0 CDAERP CN(C[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O)C1CC1 ZINC000314242462 366039996 /nfs/dbraw/zinc/03/99/96/366039996.db2.gz REWWHCJVZPTCCC-YLFCFFPRSA-N 2 0 296.455 1.457 10 0 CDAERP CC[NH2+]CC1CCN(C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000333707779 363112040 /nfs/dbraw/zinc/11/20/40/363112040.db2.gz RURZAZROGGXIHQ-CQSZACIVSA-N 2 0 282.432 1.160 10 0 CDAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC[C@H]2CCCC2(C)C)CC1 ZINC000629604809 363166587 /nfs/dbraw/zinc/16/65/87/363166587.db2.gz YYLJYBSXQBFELP-CVEARBPZSA-N 2 0 297.487 1.401 10 0 CDAERP CO[C@@H](C[N@H+](C)C1CC[NH+](C(C)C)CC1)[C@H]1CCOC1 ZINC000659869679 412568954 /nfs/dbraw/zinc/56/89/54/412568954.db2.gz YJJYESOCTJTQGG-HOCLYGCPSA-N 2 0 284.444 1.843 10 0 CDAERP Cc1cc(NC(=O)CC[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)no1 ZINC000292241519 198213744 /nfs/dbraw/zinc/21/37/44/198213744.db2.gz WSWGFGZYKOEFDO-OAHLLOKOSA-N 2 0 292.383 1.339 10 0 CDAERP CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)[NH3+])c1ccco1 ZINC000157248387 188306009 /nfs/dbraw/zinc/30/60/09/188306009.db2.gz CVDPEEAPZGTVRT-MNOVXSKESA-N 2 0 253.346 1.126 10 0 CDAERP C[NH+](C)C1(CNC(=O)N[C@H]2CCCC[NH2+]C2)CCCC1 ZINC000333917577 363220918 /nfs/dbraw/zinc/22/09/18/363220918.db2.gz NVXFCOSCFQSCKQ-ZDUSSCGKSA-N 2 0 282.432 1.302 10 0 CDAERP Cc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCCN(C)C2)c(C)c1 ZINC000644548231 366166123 /nfs/dbraw/zinc/16/61/23/366166123.db2.gz VVLXRUQRPVWCNK-CVEARBPZSA-N 2 0 292.423 1.727 10 0 CDAERP C[N@@H+]1CC[C@H](NC[C@@H]2CC[NH+](C3CC3)C2)[C@@H]2CCC[C@H]21 ZINC000353462860 283137525 /nfs/dbraw/zinc/13/75/25/283137525.db2.gz PPTRYJVJHGDWHI-QSPRXWTASA-N 2 0 277.456 1.933 10 0 CDAERP CC(C)([NH3+])c1nocc1C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634764490 358499884 /nfs/dbraw/zinc/49/98/84/358499884.db2.gz UPZKQPHXUXVPKK-JTQLQIEISA-N 2 0 294.399 1.376 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](CO)C2)[C@@H]2CCC[C@H]21 ZINC000414349953 283141046 /nfs/dbraw/zinc/14/10/46/283141046.db2.gz YOXPQHRXCZOBOF-XFIYOXNOSA-N 2 0 266.429 2.000 10 0 CDAERP CCN(C(=O)[C@H]1CCn2cc(C)nc2C1)[C@@H]1CC[N@H+](C)C1 ZINC000628053743 356455359 /nfs/dbraw/zinc/45/53/59/356455359.db2.gz IBGRPPWWTXTVBO-UONOGXRCSA-N 2 0 290.411 1.307 10 0 CDAERP CCC[C@H]([NH3+])C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000037826177 356543381 /nfs/dbraw/zinc/54/33/81/356543381.db2.gz BEKZBBBASJXINN-AWEZNQCLSA-N 2 0 267.417 1.448 10 0 CDAERP Nc1cc[nH+]c(N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000043567965 356749382 /nfs/dbraw/zinc/74/93/82/356749382.db2.gz MGWLIHUAXVKOGN-UHFFFAOYSA-N 2 0 268.364 1.986 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1cccc2ncccc12 ZINC000634688308 356793601 /nfs/dbraw/zinc/79/36/01/356793601.db2.gz OYLKEUYGBSKJMK-UHFFFAOYSA-N 2 0 273.380 1.903 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000632203457 357288144 /nfs/dbraw/zinc/28/81/44/357288144.db2.gz XUVMGMVYEOTDSF-CWRNSKLLSA-N 2 0 295.471 1.905 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC1(O)Cc2ccccc2C1 ZINC000564825591 357280641 /nfs/dbraw/zinc/28/06/41/357280641.db2.gz VAFDXMYQVLXBIB-HOTGVXAUSA-N 2 0 274.408 1.623 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CC[NH+](CC2(O)CCSCC2)C1 ZINC000659982790 412661355 /nfs/dbraw/zinc/66/13/55/412661355.db2.gz XHNMOORLNNWJOT-AWEZNQCLSA-N 2 0 286.485 1.908 10 0 CDAERP Cc1nn(C)c(C)c1CC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247003046 140285180 /nfs/dbraw/zinc/28/51/80/140285180.db2.gz KSWBJMRDCOEPEP-FZMZJTMJSA-N 2 0 264.417 1.652 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1ccc3c(c1)C[NH2+]C3)C2 ZINC000634744050 358192648 /nfs/dbraw/zinc/19/26/48/358192648.db2.gz MFGYDLIXRCYSPV-CALCHBBNSA-N 2 0 285.391 1.361 10 0 CDAERP C[C@@H](CC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[C@H]1CCC[NH2+]C1 ZINC000634750320 358235285 /nfs/dbraw/zinc/23/52/85/358235285.db2.gz TZYCKVYFSBJIFZ-NXNVCVFFSA-N 2 0 293.455 1.470 10 0 CDAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H]3CN(C)C[C@H]32)CC1 ZINC000644730055 366442182 /nfs/dbraw/zinc/44/21/82/366442182.db2.gz UCBUPZNYMRUINB-IAGOWNOFSA-N 2 0 294.487 1.038 10 0 CDAERP OCCN1CCCC[C@H]1C[NH2+]Cc1ccsc1 ZINC000449391379 358532805 /nfs/dbraw/zinc/53/28/05/358532805.db2.gz IDTVGSCRIHORHB-ZDUSSCGKSA-N 2 0 254.399 1.685 10 0 CDAERP OCC[N@@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000449392836 358534131 /nfs/dbraw/zinc/53/41/31/358534131.db2.gz LERTUSALEWYZOW-OWCLPIDISA-N 2 0 281.444 1.050 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054291669 358710949 /nfs/dbraw/zinc/71/09/49/358710949.db2.gz RQTQWLSSCVPRAH-KBPBESRZSA-N 2 0 269.433 1.469 10 0 CDAERP COc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CC[NH2+]C1 ZINC000062113506 358800574 /nfs/dbraw/zinc/80/05/74/358800574.db2.gz XBRCNHLOXJYWRQ-LBPRGKRZSA-N 2 0 277.368 1.305 10 0 CDAERP CC[C@@H](C(=O)N1CCC([NH+](C)C)CC1)[NH+](CC)CC ZINC000345763297 358902993 /nfs/dbraw/zinc/90/29/93/358902993.db2.gz ITHBAIQNLKQDCZ-AWEZNQCLSA-N 2 0 269.433 1.659 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000070552270 358969375 /nfs/dbraw/zinc/96/93/75/358969375.db2.gz AVJQOCDSHCKSBQ-AWEZNQCLSA-N 2 0 273.380 1.108 10 0 CDAERP CC(C)C[C@H](CNC(=O)c1ccccc1CC[NH3+])[NH+](C)C ZINC000070552631 358969696 /nfs/dbraw/zinc/96/96/96/358969696.db2.gz DXXNBTZGOSYVID-OAHLLOKOSA-N 2 0 291.439 1.894 10 0 CDAERP CC[NH+](CC)CCN1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000179291649 366525078 /nfs/dbraw/zinc/52/50/78/366525078.db2.gz VIRMKCSBIYVWHE-KRWDZBQOSA-N 2 0 296.503 1.430 10 0 CDAERP Cc1cc(C[NH2+]CCN2CCC([NH+](C)C)CC2)on1 ZINC000631085081 359012911 /nfs/dbraw/zinc/01/29/11/359012911.db2.gz ZOIVFVGVRWPICX-UHFFFAOYSA-N 2 0 266.389 1.099 10 0 CDAERP CC(C)(C)NC(=O)CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000262029092 359124484 /nfs/dbraw/zinc/12/44/84/359124484.db2.gz XIPLBEAQSUDSQG-MCIONIFRSA-N 2 0 297.443 1.038 10 0 CDAERP C[NH+](C)CCCC[NH2+]C1CCN(c2ccccn2)CC1 ZINC000045663928 359159452 /nfs/dbraw/zinc/15/94/52/359159452.db2.gz XJKJTCSCMWEWJC-UHFFFAOYSA-N 2 0 276.428 1.982 10 0 CDAERP CCOC(=O)C1([C@H](C)[NH2+]C2CC(C)C2)CC[NH2+]CC1 ZINC000422920243 359676606 /nfs/dbraw/zinc/67/66/06/359676606.db2.gz MAKHZHQHQFYKBW-CPCZMJQVSA-N 2 0 268.401 1.696 10 0 CDAERP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cnccc1N ZINC000422982167 359697867 /nfs/dbraw/zinc/69/78/67/359697867.db2.gz VTMVRLAMYREBOE-UONOGXRCSA-N 2 0 292.427 1.382 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccccc1-n1ccnc1 ZINC000422971033 359727809 /nfs/dbraw/zinc/72/78/09/359727809.db2.gz XUIVBPLCXCPWEH-OAHLLOKOSA-N 2 0 288.395 1.716 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H](N[C@H](C)[C@@H](C)[NH3+])[C@@H](C)C1 ZINC000423448921 359794927 /nfs/dbraw/zinc/79/49/27/359794927.db2.gz QUZKSDZEVNAMNO-YJNKXOJESA-N 2 0 271.449 1.449 10 0 CDAERP O=C([C@@H]1CC12CC[NH2+]CC2)N1CCC([NH+]2CCCC2)CC1 ZINC000070254740 296002001 /nfs/dbraw/zinc/00/20/01/296002001.db2.gz KIUCBEPQUMPEST-HNNXBMFYSA-N 2 0 291.439 1.463 10 0 CDAERP CN1CCN(C(=O)CC[NH2+][C@@H]2CC[C@@H]2C(C)(C)C)CC1 ZINC000348099616 359834578 /nfs/dbraw/zinc/83/45/78/359834578.db2.gz CBPJTFVRGGQPCX-UONOGXRCSA-N 2 0 281.444 1.565 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2C[NH3+])[C@H]1n1cccn1 ZINC000643491452 359942096 /nfs/dbraw/zinc/94/20/96/359942096.db2.gz CCKZPJHYEXKLJO-XPABHHOTSA-N 2 0 278.400 1.319 10 0 CDAERP O=C1NCCC[C@H]1[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348326299 360010135 /nfs/dbraw/zinc/01/01/35/360010135.db2.gz HSYRDZHKTOWOLE-IXDOHACOSA-N 2 0 299.418 1.329 10 0 CDAERP CC[C@@H]1CC[C@H]1[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000348414333 360060292 /nfs/dbraw/zinc/06/02/92/360060292.db2.gz RLWHCGLGYGWGTH-KFWWJZLASA-N 2 0 283.460 1.857 10 0 CDAERP O=C([C@@H]1CCCC[NH2+]1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000371235997 296009154 /nfs/dbraw/zinc/00/91/54/296009154.db2.gz NJWHIEOLLUISLW-MCIONIFRSA-N 2 0 265.401 1.119 10 0 CDAERP C[C@H]1C[NH2+]CC[C@]12C[NH+]=C(N)N2Cc1ccccc1 ZINC000169260146 360161988 /nfs/dbraw/zinc/16/19/88/360161988.db2.gz TXUHXKLIEPBWOI-WFASDCNBSA-N 2 0 258.369 1.185 10 0 CDAERP CC1CC[NH+](CCCNC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000626925531 360641493 /nfs/dbraw/zinc/64/14/93/360641493.db2.gz OFIIQSBPQVOSDY-CABCVRRESA-N 2 0 296.459 1.548 10 0 CDAERP C[C@H]1C[C@H](N(C)C(=O)C(C)(C)N2CCOCC2)CC[N@@H+]1C ZINC000338184514 360752460 /nfs/dbraw/zinc/75/24/60/360752460.db2.gz CAMLTNZSOZEMTO-UONOGXRCSA-N 2 0 297.443 1.038 10 0 CDAERP C[C@@H]1CN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)C[C@@]1(C)C[NH3+] ZINC000417832389 360780867 /nfs/dbraw/zinc/78/08/67/360780867.db2.gz IRQFKVIAEJPFEJ-TYNCELHUSA-N 2 0 267.417 1.208 10 0 CDAERP C[N@H+](CC1CC[NH2+]CC1)[C@H]1CCN(c2ccccc2)C1=O ZINC000178972378 189158541 /nfs/dbraw/zinc/15/85/41/189158541.db2.gz VQXULEJURBOYFU-INIZCTEOSA-N 2 0 287.407 1.723 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000338290234 360816309 /nfs/dbraw/zinc/81/63/09/360816309.db2.gz LZYYITFRLNQGFH-KGLIPLIRSA-N 2 0 284.448 1.500 10 0 CDAERP [NH3+][C@H]1CCC[C@@H]([NH2+]CC2(CO)CC3(CCC3)C2)C1 ZINC000519608643 361371955 /nfs/dbraw/zinc/37/19/55/361371955.db2.gz IYHBIGCDUBTNFO-QWHCGFSZSA-N 2 0 252.402 1.789 10 0 CDAERP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000644080638 363787323 /nfs/dbraw/zinc/78/73/23/363787323.db2.gz XDKZIYAFEAHSPF-MGPQQGTHSA-N 2 0 267.417 1.542 10 0 CDAERP COc1cncc(/C=C/CC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000645780024 361485032 /nfs/dbraw/zinc/48/50/32/361485032.db2.gz IEGNPQNLDSEKBX-MXEUJKCOSA-N 2 0 273.380 1.645 10 0 CDAERP COCCN1CC[C@H]([NH2+]CCCCC[NH+]2CCCC2)C1 ZINC000339498386 361541014 /nfs/dbraw/zinc/54/10/14/361541014.db2.gz RBABSVLSPWLGCQ-INIZCTEOSA-N 2 0 283.460 1.563 10 0 CDAERP CCC[C@@H]([NH3+])C(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000167772258 364359332 /nfs/dbraw/zinc/35/93/32/364359332.db2.gz YEMKDVIHNBRQHD-UONOGXRCSA-N 2 0 267.417 1.591 10 0 CDAERP C[NH+](C)[C@H]1CCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000170862842 364416207 /nfs/dbraw/zinc/41/62/07/364416207.db2.gz MGXOSGPYKJACMO-AWEZNQCLSA-N 2 0 296.459 1.596 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NCC1CC[NH+](C)CC1 ZINC000105125127 364690391 /nfs/dbraw/zinc/69/03/91/364690391.db2.gz PQIWVDFDMYEICG-CYBMUJFWSA-N 2 0 284.448 1.358 10 0 CDAERP O=C(N[C@H]1CC[N@@H+](CCCCCF)C1)C12CC[NH+](CC1)C2 ZINC001661034239 1172326796 /nfs/dbraw/zinc/32/67/96/1172326796.db2.gz CMDVTYFUVKYJKQ-AWEZNQCLSA-N 2 0 297.418 1.413 10 0 CDAERP O=C([C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)N1CCC2(CC[NH2+]2)CC1 ZINC000422545957 296075038 /nfs/dbraw/zinc/07/50/38/296075038.db2.gz YGXLWZTUZPYUEU-RDBSUJKOSA-N 2 0 277.412 1.262 10 0 CDAERP C[C@@H](CNC(=O)CC[C@H]1CCCC[N@@H+]1C)[NH+](C)C1CC1 ZINC000353157584 365034274 /nfs/dbraw/zinc/03/42/74/365034274.db2.gz LIQLTEIURFRNRH-UONOGXRCSA-N 2 0 281.444 1.850 10 0 CDAERP C[S@](=O)c1ccc(C[NH2+][C@@H]2CCc3nc[nH]c3C2)cc1 ZINC000353243256 365083238 /nfs/dbraw/zinc/08/32/38/365083238.db2.gz QEHBGQYVDJDDEV-ODXCJYRJSA-N 2 0 289.404 1.794 10 0 CDAERP Cc1[nH+]ccc(NCCCC[NH+]2CCOCC2)c1Cl ZINC000357324271 366916068 /nfs/dbraw/zinc/91/60/68/366916068.db2.gz OVMUDVOSDNMRCW-UHFFFAOYSA-N 2 0 283.803 1.990 10 0 CDAERP CC[NH+]1CCC(CC[NH2+]Cc2cc(C)n(C)n2)CC1 ZINC000414359699 241168356 /nfs/dbraw/zinc/16/83/56/241168356.db2.gz PBUAVZALYUFNSO-UHFFFAOYSA-N 2 0 264.417 1.940 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C[NH2+]1 ZINC000626979963 367124375 /nfs/dbraw/zinc/12/43/75/367124375.db2.gz NKJIHHYWENAFHO-RDBSUJKOSA-N 2 0 298.475 1.793 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH2+]CCCF)C1CC1 ZINC001661143675 1172343399 /nfs/dbraw/zinc/34/33/99/1172343399.db2.gz ZLDBWJVAHXSWAF-KBPBESRZSA-N 2 0 285.407 1.315 10 0 CDAERP C[C@@H](CCNC(=O)N[C@@H]1CC[NH2+][C@H]1C)[NH+]1CCCCC1 ZINC000627014048 367237061 /nfs/dbraw/zinc/23/70/61/367237061.db2.gz ROYKGAYAEVEQDJ-MELADBBJSA-N 2 0 282.432 1.301 10 0 CDAERP CC[NH2+]Cc1ccccc1NC(=O)NCC(C)(C)[NH2+]C ZINC000415913350 241804278 /nfs/dbraw/zinc/80/42/78/241804278.db2.gz AXCBFYQFNRLJSY-UHFFFAOYSA-N 2 0 278.400 1.916 10 0 CDAERP CC1=CC[NH+](CCNC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000358199334 367508153 /nfs/dbraw/zinc/50/81/53/367508153.db2.gz YWDUTWCKOXHTSP-CABCVRRESA-N 2 0 294.443 1.420 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)[C@@H](C)C1 ZINC000358206947 367512036 /nfs/dbraw/zinc/51/20/36/367512036.db2.gz SVIPAXKGBGXLNA-SBJFKYEJSA-N 2 0 279.428 1.316 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000627167043 367601665 /nfs/dbraw/zinc/60/16/65/367601665.db2.gz UQNPDTFDNVRPEH-HZSPNIEDSA-N 2 0 282.432 1.253 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000627168448 367603069 /nfs/dbraw/zinc/60/30/69/367603069.db2.gz UWVOIJWKRFJJLU-HZSPNIEDSA-N 2 0 280.416 1.005 10 0 CDAERP C[C@@H](NC(=O)NCC1([NH+](C)C)CCCCC1)[C@H](C)[NH3+] ZINC000416834606 242176442 /nfs/dbraw/zinc/17/64/42/242176442.db2.gz YNOKDELRZWEZON-NWDGAFQWSA-N 2 0 270.421 1.286 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000417008288 242264612 /nfs/dbraw/zinc/26/46/12/242264612.db2.gz MBRFHDBUXDZNDP-MCIONIFRSA-N 2 0 284.448 1.404 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000417011701 242267132 /nfs/dbraw/zinc/26/71/32/242267132.db2.gz SSGKJICLDJLANA-OCCSQVGLSA-N 2 0 284.448 1.533 10 0 CDAERP C[C@H](CNC(=O)NCC[C@H]1CCC[NH2+]C1)C[NH+]1CCCC1 ZINC000417157301 242339713 /nfs/dbraw/zinc/33/97/13/242339713.db2.gz MZYBHWRAKIEQMN-HUUCEWRRSA-N 2 0 296.459 1.407 10 0 CDAERP C[C@@H](NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2)[C@@H]1CCC[NH2+]C1 ZINC000261986838 296103684 /nfs/dbraw/zinc/10/36/84/296103684.db2.gz KKWNWIYTXLNRSZ-HGTKMLMNSA-N 2 0 279.428 1.271 10 0 CDAERP CCC[NH+]1CCC(NC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000417743783 242634183 /nfs/dbraw/zinc/63/41/83/242634183.db2.gz CYXGDHWVKKLSAP-TZMCWYRMSA-N 2 0 282.432 1.158 10 0 CDAERP CC(C)[C@@H]([NH3+])CNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000418112193 242667978 /nfs/dbraw/zinc/66/79/78/242667978.db2.gz BCDJAHCUNRQTMI-RUXDESIVSA-N 2 0 282.432 1.286 10 0 CDAERP CC(C)C[C@@H](CNC(=O)C1=CC[C@@H]([NH3+])C1)[NH+](C)C ZINC000638058981 367890706 /nfs/dbraw/zinc/89/07/06/367890706.db2.gz DEPCKVLDRSYFKG-OLZOCXBDSA-N 2 0 253.390 1.126 10 0 CDAERP Cc1ccc(NC(=O)NC2(C[NH3+])CCOCC2)c(C)n1 ZINC000528682734 367940302 /nfs/dbraw/zinc/94/03/02/367940302.db2.gz OAFVNVDDSIQDMT-UHFFFAOYSA-N 2 0 278.356 1.328 10 0 CDAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000418596826 243256306 /nfs/dbraw/zinc/25/63/06/243256306.db2.gz PDDJGYYECJRMCI-ZFWWWQNUSA-N 2 0 296.459 1.358 10 0 CDAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418599912 243259610 /nfs/dbraw/zinc/25/96/10/243259610.db2.gz RUVBNIXUAXPVMC-XDQVBPFNSA-N 2 0 282.432 1.049 10 0 CDAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000418603948 243266163 /nfs/dbraw/zinc/26/61/63/243266163.db2.gz XDNYVULHAYHOAK-UONOGXRCSA-N 2 0 282.432 1.112 10 0 CDAERP CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CCC([NH3+])CC1 ZINC000418659905 243322500 /nfs/dbraw/zinc/32/25/00/243322500.db2.gz YCQXKQHXFHJEIT-OAHLLOKOSA-N 2 0 290.411 1.382 10 0 CDAERP C[C@@H](NC(=O)N(CCC[NH3+])Cc1ccccc1)[C@H](C)[NH3+] ZINC000418712121 243365748 /nfs/dbraw/zinc/36/57/48/243365748.db2.gz WVXVXAOFLFMARV-QWHCGFSZSA-N 2 0 278.400 1.283 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000418716834 243371091 /nfs/dbraw/zinc/37/10/91/243371091.db2.gz ZUNUFLDWVPKGNF-STQMWFEESA-N 2 0 282.432 1.240 10 0 CDAERP CN(CCC(=O)N(C)[C@@H]1CCC[N@H+](C)C1)c1cc[nH+]cc1 ZINC000543715098 368956645 /nfs/dbraw/zinc/95/66/45/368956645.db2.gz ZFAGSZCGCVNSJD-OAHLLOKOSA-N 2 0 290.411 1.461 10 0 CDAERP CC(=O)N1CCC(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000367604963 369196845 /nfs/dbraw/zinc/19/68/45/369196845.db2.gz DRTABIBUPWOZHC-GVDBMIGSSA-N 2 0 293.455 1.707 10 0 CDAERP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)n(C)n1 ZINC000367630904 369202555 /nfs/dbraw/zinc/20/25/55/369202555.db2.gz DDVVBOWLOUEKHH-RBSFLKMASA-N 2 0 262.401 1.691 10 0 CDAERP COc1cc(C[NH2+][C@H](C)CC[NH3+])cc2c1OCCO2 ZINC000414890652 369226973 /nfs/dbraw/zinc/22/69/73/369226973.db2.gz UOFUKUBQPGOLDV-SNVBAGLBSA-N 2 0 266.341 1.293 10 0 CDAERP CN(CC[N@H+](C)C1CC1)C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000368249258 369410546 /nfs/dbraw/zinc/41/05/46/369410546.db2.gz ITKRPJBFZIGSTG-INIZCTEOSA-N 2 0 299.434 1.752 10 0 CDAERP C[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)[NH+](C)C1CC1 ZINC000353506224 369426484 /nfs/dbraw/zinc/42/64/84/369426484.db2.gz XFUIYJBXUZEBFE-BVUBDWEXSA-N 2 0 265.445 1.932 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000567364900 370968111 /nfs/dbraw/zinc/96/81/11/370968111.db2.gz XZRSLXHOJIIFGX-MCIONIFRSA-N 2 0 265.401 1.023 10 0 CDAERP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)CCC[NH+](C)C ZINC000547484141 369562602 /nfs/dbraw/zinc/56/26/02/369562602.db2.gz UQBOFTCETHLSLR-LBPRGKRZSA-N 2 0 257.422 1.563 10 0 CDAERP CC[NH+](CC)CCCN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000368634322 369544064 /nfs/dbraw/zinc/54/40/64/369544064.db2.gz PSBGKPPITSDYBP-HNNXBMFYSA-N 2 0 253.434 1.746 10 0 CDAERP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000079253697 369815712 /nfs/dbraw/zinc/81/57/12/369815712.db2.gz OEHMDFOULDISOX-UONOGXRCSA-N 2 0 296.459 1.500 10 0 CDAERP CO[C@@H](C)[C@H](C)[NH2+]Cc1cccnc1-n1ccnc1 ZINC000370669998 370121038 /nfs/dbraw/zinc/12/10/38/370121038.db2.gz UOCKFCOYMNYENW-RYUDHWBXSA-N 2 0 260.341 1.780 10 0 CDAERP CCOC(=O)C1([C@H](C)[NH2+]C[C@H]2C[C@H]2C)CC[NH2+]CC1 ZINC000422709948 245168267 /nfs/dbraw/zinc/16/82/67/245168267.db2.gz ZYQVJKSEUKYJLY-FRRDWIJNSA-N 2 0 268.401 1.553 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCc2cnccn2)[C@@H]2CCC[C@@H]21 ZINC000375863006 371006045 /nfs/dbraw/zinc/00/60/45/371006045.db2.gz VBPZENARQMKDLX-KKUMJFAQSA-N 2 0 260.385 1.482 10 0 CDAERP CN(C[C@H](O)C[NH2+]C[C@@H]1CC12CCSCC2)C1CC1 ZINC000567694427 371104287 /nfs/dbraw/zinc/10/42/87/371104287.db2.gz SSRNWJSOKXOUEQ-GXTWGEPZSA-N 2 0 284.469 1.564 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@@H]2CCCNC(=O)C2)CC1 ZINC000638565190 371112863 /nfs/dbraw/zinc/11/28/63/371112863.db2.gz NPMKLDQDWMMWHS-CQSZACIVSA-N 2 0 267.417 1.367 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000376565670 371274955 /nfs/dbraw/zinc/27/49/55/371274955.db2.gz JKAIOPKGPGAYDM-UYSNPLJNSA-N 2 0 293.455 1.994 10 0 CDAERP CCc1nc(CC[NH2+][C@@H](CCC[NH3+])COC)cs1 ZINC000422899227 245383765 /nfs/dbraw/zinc/38/37/65/245383765.db2.gz HCXFYUSXQFSDFA-NSHDSACASA-N 2 0 271.430 1.592 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC=C(C)C)C2)CC[N@@H+]1C ZINC001661602084 1172416086 /nfs/dbraw/zinc/41/60/86/1172416086.db2.gz SYFZXUCIXCTOQH-XUWVNRHRSA-N 2 0 293.455 1.920 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173831684 372540025 /nfs/dbraw/zinc/54/00/25/372540025.db2.gz XXHAGFZQZLUTQU-RBSFLKMASA-N 2 0 298.475 1.841 10 0 CDAERP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000580842985 372714426 /nfs/dbraw/zinc/71/44/26/372714426.db2.gz WGIGJUOTIOJYAQ-KBPBESRZSA-N 2 0 281.444 1.517 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000333303330 205199709 /nfs/dbraw/zinc/19/97/09/205199709.db2.gz JEMNXTLEXRQGKV-DZGCQCFKSA-N 2 0 296.459 1.406 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000382617411 373061672 /nfs/dbraw/zinc/06/16/72/373061672.db2.gz WCFLQVQFQOAGFC-GJZGRUSLSA-N 2 0 253.434 1.920 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH+](C)C)C2)CC[N@@H+]1C ZINC000630903839 373162097 /nfs/dbraw/zinc/16/20/97/373162097.db2.gz VXIKPJQIXQZHAE-MELADBBJSA-N 2 0 267.417 1.269 10 0 CDAERP CC(C)[NH+]1CCN(CCC[NH+]2[C@@H](C)COC[C@@H]2C)CC1 ZINC000191507069 373503366 /nfs/dbraw/zinc/50/33/66/373503366.db2.gz UTLHHVGMECAQBT-HOTGVXAUSA-N 2 0 283.460 1.512 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000341317739 373540221 /nfs/dbraw/zinc/54/02/21/373540221.db2.gz KSWBKBFGKRBPOC-GZBFAFLISA-N 2 0 296.459 1.499 10 0 CDAERP C[C@H]1CN(Cc2nc(-c3ccccc3)no2)C[C@H]1C[NH3+] ZINC000631842959 373885806 /nfs/dbraw/zinc/88/58/06/373885806.db2.gz HTHZKRKDLUWKCV-WCQYABFASA-N 2 0 272.352 1.763 10 0 CDAERP CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1cncn1C(C)C ZINC000424162219 246362878 /nfs/dbraw/zinc/36/28/78/246362878.db2.gz WQBWOANXLYUOHG-NWDGAFQWSA-N 2 0 266.389 1.857 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000334325329 374906429 /nfs/dbraw/zinc/90/64/29/374906429.db2.gz AYFQFMBFPPRADK-RKDXNWHRSA-N 2 0 265.332 1.393 10 0 CDAERP C[C@H]1c2ccccc2C[N@H+]1CCC(=O)N1CCN(C)CC1 ZINC000334424783 375351545 /nfs/dbraw/zinc/35/15/45/375351545.db2.gz TYNXUKYLIRNLHM-AWEZNQCLSA-N 2 0 287.407 1.727 10 0 CDAERP CC(C)[C@H]1CCN(Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000135297531 375690631 /nfs/dbraw/zinc/69/06/31/375690631.db2.gz NFBJCTCKKRPFJO-JTQLQIEISA-N 2 0 252.362 1.741 10 0 CDAERP C[C@H](CNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000417019788 375709112 /nfs/dbraw/zinc/70/91/12/375709112.db2.gz RFEBJUMNYIUOSK-BARDWOONSA-N 2 0 296.459 1.404 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC000428495405 247316327 /nfs/dbraw/zinc/31/63/27/247316327.db2.gz CIXORJALFXHTNU-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP O[C@H](C[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1)C[NH+]1CCCC1 ZINC000353227176 375852588 /nfs/dbraw/zinc/85/25/88/375852588.db2.gz ASXUEYSPMFOBJO-YLFCFFPRSA-N 2 0 296.455 1.628 10 0 CDAERP Cc1ccccc1NC(=O)[C@H](C)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193658560 375889480 /nfs/dbraw/zinc/88/94/80/375889480.db2.gz LREHIPUONNYEPF-SOUVJXGZSA-N 2 0 287.407 1.815 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+](C)C2)CC[N@@H+]1C ZINC000631163107 375981693 /nfs/dbraw/zinc/98/16/93/375981693.db2.gz KKJBRNYTGKIEFS-MELADBBJSA-N 2 0 267.417 1.175 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@@H]1CN1C[C@@H](C)[NH+](CCO)C[C@H]1C ZINC000419330029 376126230 /nfs/dbraw/zinc/12/62/30/376126230.db2.gz FYBWDZAVAMCYST-BRWVUGGUSA-N 2 0 297.487 1.636 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)NC[C@@H](C)C[NH2+]C)CC1 ZINC000417390010 376315500 /nfs/dbraw/zinc/31/55/00/376315500.db2.gz KXKXJTUBUIQATC-ZDUSSCGKSA-N 2 0 284.448 1.263 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1C ZINC000631487565 376303456 /nfs/dbraw/zinc/30/34/56/376303456.db2.gz KLGTYTVLDYVCOE-RFQIPJPRSA-N 2 0 267.417 1.316 10 0 CDAERP c1nc2n(n1)[C@H](C[NH+]1CCC([C@@H]3CC[NH2+]C3)CC1)CC2 ZINC000631826231 376656603 /nfs/dbraw/zinc/65/66/03/376656603.db2.gz IILLTDQPGWLGCW-KGLIPLIRSA-N 2 0 275.400 1.087 10 0 CDAERP Cn1c2cc(C[NH+]3CCC(CC[NH3+])CC3)ccc2oc1=O ZINC000631829743 376666699 /nfs/dbraw/zinc/66/66/99/376666699.db2.gz YOGIDNGNIHCPRQ-UHFFFAOYSA-N 2 0 289.379 1.692 10 0 CDAERP FC(F)[C@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000631866441 376748537 /nfs/dbraw/zinc/74/85/37/376748537.db2.gz YGCPWGPZSUBREH-VXGBXAGGSA-N 2 0 262.344 1.732 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@@H]32)CC[N@@H+]1C ZINC000631951026 376843142 /nfs/dbraw/zinc/84/31/42/376843142.db2.gz WTHKZQDATPUJEP-QXSJWSMHSA-N 2 0 293.455 1.659 10 0 CDAERP CC[NH+](CC)CCC[C@H](C)NC(=O)CC[C@H](C)[NH3+] ZINC000070314771 377032709 /nfs/dbraw/zinc/03/27/09/377032709.db2.gz SYPBQYGXKJKQKB-STQMWFEESA-N 2 0 257.422 1.741 10 0 CDAERP CS[C@@H]1CC[C@H]1[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000425387786 376993198 /nfs/dbraw/zinc/99/31/98/376993198.db2.gz VSDDGJAABFWISL-ZIAGYGMSSA-N 2 0 299.484 1.462 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)c1c[nH+]ccc1N ZINC000127473026 377109325 /nfs/dbraw/zinc/10/93/25/377109325.db2.gz ANLRCRLBMZMMSD-SNVBAGLBSA-N 2 0 250.346 1.124 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)NC[C@H](C)[NH2+]C(C)C ZINC001662233596 1172512309 /nfs/dbraw/zinc/51/23/09/1172512309.db2.gz BBAKPNCXZVUXRS-RYUDHWBXSA-N 2 0 261.385 1.169 10 0 CDAERP C[C@H]1C[C@H]([NH3+])CN1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000632916774 377977466 /nfs/dbraw/zinc/97/74/66/377977466.db2.gz PIWBSOZIXJLVIS-QWRGUYRKSA-N 2 0 286.339 1.221 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC000633084278 378110521 /nfs/dbraw/zinc/11/05/21/378110521.db2.gz HCBYUIAVBKNSRM-CQSZACIVSA-N 2 0 298.475 1.842 10 0 CDAERP [NH3+][C@H]1CC[C@@H](C(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000091540650 295340667 /nfs/dbraw/zinc/34/06/67/295340667.db2.gz HSDQYUNZQVVBAA-OLZOCXBDSA-N 2 0 265.401 1.201 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccc(F)nc1C ZINC000278530589 194030693 /nfs/dbraw/zinc/03/06/93/194030693.db2.gz RQFSRKSBGJVKJM-CQSZACIVSA-N 2 0 283.391 1.976 10 0 CDAERP C[C@H]1C[C@@H](C[N@H+](C)CCCN(C)CC[NH+](C)C)CCO1 ZINC000344036423 379066753 /nfs/dbraw/zinc/06/67/53/379066753.db2.gz SULAVDCRYKWEEJ-HOTGVXAUSA-N 2 0 285.476 1.617 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000344588030 284880487 /nfs/dbraw/zinc/88/04/87/284880487.db2.gz UNMJEKCWKOJREU-CQSZACIVSA-N 2 0 286.464 1.700 10 0 CDAERP CCC[NH+]1CCC(C[NH3+])(N(CC)CCOC)CC1 ZINC000042492671 184555728 /nfs/dbraw/zinc/55/57/28/184555728.db2.gz SFUDEKRLXVLUDR-UHFFFAOYSA-N 2 0 257.422 1.158 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000417987690 532992212 /nfs/dbraw/zinc/99/22/12/532992212.db2.gz RLDWKBMAIGIYMN-MCIONIFRSA-N 2 0 292.427 1.542 10 0 CDAERP OC1(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CCOCC1 ZINC000134947863 285237969 /nfs/dbraw/zinc/23/79/69/285237969.db2.gz MEYYTCOTSYUGSX-ZBFHGGJFSA-N 2 0 294.439 1.477 10 0 CDAERP CC[C@H](CO)[N@H+](C)C[C@H](O)CN(C)Cc1ccccc1 ZINC000647026130 390364722 /nfs/dbraw/zinc/36/47/22/390364722.db2.gz QCXLJNQCTDEUKE-HZPDHXFCSA-N 2 0 280.412 1.182 10 0 CDAERP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000646988447 390339211 /nfs/dbraw/zinc/33/92/11/390339211.db2.gz QDUKTGPOWSUMFT-HZSPNIEDSA-N 2 0 267.417 1.542 10 0 CDAERP C[C@H]1C[C@@H](N(C)C(=O)c2conc2C(C)(C)[NH3+])CC[N@@H+]1C ZINC000568232247 390469433 /nfs/dbraw/zinc/46/94/33/390469433.db2.gz JCZFFEXFHRRXOW-QWRGUYRKSA-N 2 0 294.399 1.423 10 0 CDAERP C[C@@H]1CN(C)C[C@H]1[NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000647245655 390623108 /nfs/dbraw/zinc/62/31/08/390623108.db2.gz ZDMHXVCHZHOLDR-DTZQCDIJSA-N 2 0 275.396 1.841 10 0 CDAERP CCC(C)(C)CC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000634725035 390596977 /nfs/dbraw/zinc/59/69/77/390596977.db2.gz FETNSVRBHOQFIN-CQSZACIVSA-N 2 0 271.449 1.011 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@H](C)[NH3+])[C@H](C)C1 ZINC000418724235 285390040 /nfs/dbraw/zinc/39/00/40/285390040.db2.gz NGHLUKLVEPXEST-XQHKEYJVSA-N 2 0 270.421 1.094 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)CCC1CC[NH2+]CC1 ZINC000237509071 390845584 /nfs/dbraw/zinc/84/55/84/390845584.db2.gz NGATUVFKAUQTOL-AWEZNQCLSA-N 2 0 281.444 1.757 10 0 CDAERP C[C@H]1C[C@H](N(C)C(=O)C2([NH3+])CCCCC2)CC[N@@H+]1C ZINC000237560270 390851833 /nfs/dbraw/zinc/85/18/33/390851833.db2.gz VOEVVFRPITZTAG-QWHCGFSZSA-N 2 0 267.417 1.589 10 0 CDAERP CC[NH+](CC)CCN1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000119651566 390854132 /nfs/dbraw/zinc/85/41/32/390854132.db2.gz ZPMVAHDIFJRGIP-INIZCTEOSA-N 2 0 283.460 1.372 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)[C@]2(O)CCOC2)[C@@H](C)C1 ZINC000647340298 390943309 /nfs/dbraw/zinc/94/33/09/390943309.db2.gz HIMTWQQUSNIRQV-DZKIICNBSA-N 2 0 284.444 1.484 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])CC[N@@H+]1C ZINC000648199184 390949701 /nfs/dbraw/zinc/94/97/01/390949701.db2.gz BPIBGQMQIYQFJK-XPKDYRNWSA-N 2 0 287.407 1.411 10 0 CDAERP O=C(CC[C@@H]1CCC[NH2+]1)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000648210099 390952553 /nfs/dbraw/zinc/95/25/53/390952553.db2.gz JUWZVMCZFJANEN-QWHCGFSZSA-N 2 0 265.401 1.310 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N2CC[NH2+][C@@H](C)[C@H]2C)CC1 ZINC000417746959 391013419 /nfs/dbraw/zinc/01/34/19/391013419.db2.gz IAPOBVGQSSLDFB-UONOGXRCSA-N 2 0 296.459 1.500 10 0 CDAERP c1cncc(CNCCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647546497 390989858 /nfs/dbraw/zinc/98/98/58/390989858.db2.gz MNTPXJSKGAMLLI-GVDBMIGSSA-N 2 0 288.439 1.539 10 0 CDAERP CC(C)[C@H](O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000367922664 391007140 /nfs/dbraw/zinc/00/71/40/391007140.db2.gz CXVRFAMXGVMGOW-GBJTYRQASA-N 2 0 270.417 1.187 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2=CCCOC2)[C@@H]2CCC[C@H]21 ZINC000367904950 391007317 /nfs/dbraw/zinc/00/73/17/391007317.db2.gz SMDIDXHFYSLWSE-SOUVJXGZSA-N 2 0 250.386 1.796 10 0 CDAERP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cocn2)C[C@H](C)O1 ZINC000192298757 391066490 /nfs/dbraw/zinc/06/64/90/391066490.db2.gz AFMINGUKJNNACW-BETUJISGSA-N 2 0 267.373 1.654 10 0 CDAERP C[NH+](C)CCN1CCC([NH2+]C2CC(CF)(CF)C2)CC1 ZINC000657832373 413048787 /nfs/dbraw/zinc/04/87/87/413048787.db2.gz JEAAGHKYUKZKQK-UHFFFAOYSA-N 2 0 289.414 1.690 10 0 CDAERP CC[N@H+](CCNC(=O)C[NH+]1CCCC1)CC(C)C ZINC001663458104 1172698324 /nfs/dbraw/zinc/69/83/24/1172698324.db2.gz ZNARCRFFCCBCPN-UHFFFAOYSA-N 2 0 255.406 1.176 10 0 CDAERP C[NH+](C)CCN1CCC([NH2+][C@H]2CCCSCC2)CC1 ZINC000657831890 413049172 /nfs/dbraw/zinc/04/91/72/413049172.db2.gz FBJILRAJOSGYNU-AWEZNQCLSA-N 2 0 285.501 1.888 10 0 CDAERP CC(C)[C@](C)(O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000228786772 391407438 /nfs/dbraw/zinc/40/74/38/391407438.db2.gz NKESRHJRKMVVEP-RRFJBIMHSA-N 2 0 254.418 1.810 10 0 CDAERP C[C@@H]1[C@H](C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@@H+]1C ZINC000648105183 391339085 /nfs/dbraw/zinc/33/90/85/391339085.db2.gz BAWCKUBWXWNHEM-SYCZCVCYSA-N 2 0 265.401 1.068 10 0 CDAERP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)[C@]1(CO)CC[C@@H](C)C1 ZINC000647971560 391353269 /nfs/dbraw/zinc/35/32/69/391353269.db2.gz NTRBDADESAUZNX-RBSFLKMASA-N 2 0 272.433 1.170 10 0 CDAERP CC(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000353456691 391392691 /nfs/dbraw/zinc/39/26/91/391392691.db2.gz WGRANQQBBBVDNX-OAGGEKHMSA-N 2 0 279.428 1.460 10 0 CDAERP C[C@H]1CC[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000335644885 391462427 /nfs/dbraw/zinc/46/24/27/391462427.db2.gz XBMQZOOFDXPJPO-UIDBIOKJSA-N 2 0 265.445 1.981 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N[C@@H](C[NH3+])C2CCCC2)cc1 ZINC000417847888 391518008 /nfs/dbraw/zinc/51/80/08/391518008.db2.gz ZWWITRUAINFEGU-AWEZNQCLSA-N 2 0 261.369 1.393 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(OC)nc2)[C@@H](C)C1 ZINC000527989508 391557289 /nfs/dbraw/zinc/55/72/89/391557289.db2.gz YUUKIUFCCCRWSY-DZGCQCFKSA-N 2 0 277.412 1.953 10 0 CDAERP C[N@@H+]1CCC[C@@H]2CN(CCC[NH+]3CCCC3)CC[C@@H]21 ZINC000162290830 391626991 /nfs/dbraw/zinc/62/69/91/391626991.db2.gz CZFRKZLMOIWFRE-CVEARBPZSA-N 2 0 265.445 1.888 10 0 CDAERP c1ccc([C@H]([NH2+]C[C@@H]2CC[NH2+]C2)[C@@H]2CCOC2)cc1 ZINC000647992202 391701498 /nfs/dbraw/zinc/70/14/98/391701498.db2.gz RGNUGAIATJULFO-BMFZPTHFSA-N 2 0 260.381 1.963 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH2+][C@H](C)C1 ZINC000335396135 391704176 /nfs/dbraw/zinc/70/41/76/391704176.db2.gz RCDVGIJOXAEGCR-CHWSQXEVSA-N 2 0 253.390 1.070 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000415011781 391722758 /nfs/dbraw/zinc/72/27/58/391722758.db2.gz IHMCGHMQYUEEKN-GFCCVEGCSA-N 2 0 289.379 1.390 10 0 CDAERP COc1c(C[NH2+][C@H](C)CCCC[NH3+])c(C)nn1C ZINC000415019465 391725403 /nfs/dbraw/zinc/72/54/03/391725403.db2.gz WAUIIDAPVBRNJK-SNVBAGLBSA-N 2 0 254.378 1.344 10 0 CDAERP COCC(C)(C)C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415055344 391738218 /nfs/dbraw/zinc/73/82/18/391738218.db2.gz OMNMDFMZMBQQBA-UHFFFAOYSA-N 2 0 283.460 1.465 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000418190328 391796446 /nfs/dbraw/zinc/79/64/46/391796446.db2.gz WBJNLXOVPOWBNI-KKUMJFAQSA-N 2 0 294.443 1.254 10 0 CDAERP OC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2c(c1)C[NH2+]CC2 ZINC000516300940 391816175 /nfs/dbraw/zinc/81/61/75/391816175.db2.gz LPSWEZYJDSNQPG-SJPCQFCGSA-N 2 0 272.392 1.820 10 0 CDAERP O[C@@H](C[NH2+]CCCCOc1ccccc1)C[NH+]1CCCC1 ZINC000438205383 391897888 /nfs/dbraw/zinc/89/78/88/391897888.db2.gz ASMIIRKYZWTSNQ-INIZCTEOSA-N 2 0 292.423 1.892 10 0 CDAERP CN(C(=O)CN1CCC[C@@]2(CC[NH2+]C2)C1)C1CCCCC1 ZINC000334979389 391991105 /nfs/dbraw/zinc/99/11/05/391991105.db2.gz GGHWFISZIMJFPH-KRWDZBQOSA-N 2 0 293.455 1.853 10 0 CDAERP CC[C@@H]1C[C@@H](C)C[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000342310680 391998062 /nfs/dbraw/zinc/99/80/62/391998062.db2.gz GOJLAHCWBUFMBA-UKRRQHHQSA-N 2 0 293.455 1.850 10 0 CDAERP Cc1cnn(CC[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000336785169 392058534 /nfs/dbraw/zinc/05/85/34/392058534.db2.gz BRNQYDKZFCEWFM-UHFFFAOYSA-N 2 0 250.390 1.465 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]C[C@@]2(CCO)CCOC2)[C@H](C)C1 ZINC000345173719 392098312 /nfs/dbraw/zinc/09/83/12/392098312.db2.gz ZZLNCDUXBOYSDT-QLFBSQMISA-N 2 0 270.417 1.095 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000649373464 392126328 /nfs/dbraw/zinc/12/63/28/392126328.db2.gz ZYKCCCNJZABHQZ-HNNXBMFYSA-N 2 0 293.455 1.898 10 0 CDAERP C([C@H]1CC[NH2+]C1)[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000649411943 392196309 /nfs/dbraw/zinc/19/63/09/392196309.db2.gz XHHFWJNPRVLGOB-LBPRGKRZSA-N 2 0 275.400 1.013 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)C[C@@H]2CC[NH2+]C2)CC1 ZINC000646262331 392219379 /nfs/dbraw/zinc/21/93/79/392219379.db2.gz HOXBNMUMPABJDW-MOKVOYLWSA-N 2 0 267.417 1.223 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](CO)Cc1ccc(F)c(F)c1 ZINC000423072786 392316455 /nfs/dbraw/zinc/31/64/55/392316455.db2.gz JVQAHJZMVJWJNN-XEZPLFJOSA-N 2 0 298.377 1.833 10 0 CDAERP C[C@@H](NCC[N@H+](C)C1CCCCC1)[C@H]1CCC[NH2+]1 ZINC000422701801 392252012 /nfs/dbraw/zinc/25/20/12/392252012.db2.gz JJWUBDOLGZDXLV-UKRRQHHQSA-N 2 0 253.434 1.981 10 0 CDAERP CN(CC[N@H+](C)CCC[C@@H]1CCOC1)C1CC[NH+](C)CC1 ZINC000645842167 392253567 /nfs/dbraw/zinc/25/35/67/392253567.db2.gz WRPNQLAOXBDYPH-MRXNPFEDSA-N 2 0 297.487 1.761 10 0 CDAERP OC[C@H](CC1CCCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423023776 392281073 /nfs/dbraw/zinc/28/10/73/392281073.db2.gz KOKPGWPSGRPKAR-IXXDHKBRSA-N 2 0 252.402 1.800 10 0 CDAERP CC1=CCN(CC[NH2+][C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000423031380 392287056 /nfs/dbraw/zinc/28/70/56/392287056.db2.gz CZFRYIYRONCQHP-HUUCEWRRSA-N 2 0 251.418 1.888 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000423039163 392293292 /nfs/dbraw/zinc/29/32/92/392293292.db2.gz DUBDTCVITNIDQG-JYJNAYRXSA-N 3 0 297.487 1.983 10 0 CDAERP C[C@H]([NH2+]CCc1cccc(C(F)(F)F)n1)C1C[NH2+]C1 ZINC000423128207 392368079 /nfs/dbraw/zinc/36/80/79/392368079.db2.gz KSEUDDWXWDBBLD-VIFPVBQESA-N 2 0 273.302 1.840 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc(C)cc1OC ZINC000629528641 392385050 /nfs/dbraw/zinc/38/50/50/392385050.db2.gz FXVRUYNGKJRAKE-ZDUSSCGKSA-N 2 0 266.385 1.890 10 0 CDAERP CCOc1ccc([C@H](C)[NH2+]CCOCC[NH2+]C)cc1 ZINC000629528556 392385238 /nfs/dbraw/zinc/38/52/38/392385238.db2.gz CACOKBUZSZITSQ-ZDUSSCGKSA-N 2 0 266.385 1.972 10 0 CDAERP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NCCC[NH2+]Cc1cccnc1 ZINC000423189037 392428999 /nfs/dbraw/zinc/42/89/99/392428999.db2.gz OPGZQWACKGFZKF-YOEHRIQHSA-N 2 0 288.439 1.634 10 0 CDAERP COc1ccc([C@@H](CCn2cncn2)[NH2+]CCC[NH3+])cc1 ZINC000423194406 392433665 /nfs/dbraw/zinc/43/36/65/392433665.db2.gz RLDZBIKJNJCQJS-OAHLLOKOSA-N 2 0 289.383 1.357 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+])[NH+]1CCCC1 ZINC000573918504 392464659 /nfs/dbraw/zinc/46/46/59/392464659.db2.gz MLUOFTZAGLUICU-KFWWJZLASA-N 2 0 281.444 1.885 10 0 CDAERP CC(C)C[C@H]([NH3+])c1noc(COC2CCC([NH3+])CC2)n1 ZINC000574277211 392560023 /nfs/dbraw/zinc/56/00/23/392560023.db2.gz SNOBYRVBCHDOLK-MCIGGMRASA-N 2 0 282.388 1.902 10 0 CDAERP CCC[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO)[NH+](C)C ZINC000128883220 392754607 /nfs/dbraw/zinc/75/46/07/392754607.db2.gz GXNIAGDNVBNIKS-CABCVRRESA-N 2 0 299.459 1.070 10 0 CDAERP C[C@@H]1CCC[C@H](C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC000517089017 392833438 /nfs/dbraw/zinc/83/34/38/392833438.db2.gz HESLDDKCYWPLJC-OWCLPIDISA-N 2 0 283.460 1.011 10 0 CDAERP CCC[C@H](C)[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000187682492 392999912 /nfs/dbraw/zinc/99/99/12/392999912.db2.gz BKKWNJWPYMYJOT-IRXDYDNUSA-N 2 0 297.487 1.902 10 0 CDAERP O=C(NCCC[C@H]1CCC[NH2+]1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000514925517 393064909 /nfs/dbraw/zinc/06/49/09/393064909.db2.gz SZPSEEWCNCCNIL-GDBMZVCRSA-N 2 0 294.443 1.304 10 0 CDAERP CC[C@H]1[C@H](CO)CC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000451258482 393182771 /nfs/dbraw/zinc/18/27/71/393182771.db2.gz ROYPPKMUXRKPSV-GJZGRUSLSA-N 2 0 254.418 1.955 10 0 CDAERP C[C@@H]1CCC[C@](CNC(=O)[C@H]2CCC[C@@H]2[NH3+])([NH+](C)C)C1 ZINC000251942542 296493589 /nfs/dbraw/zinc/49/35/89/296493589.db2.gz WCYKNUIODIKXFV-HOSILWTGSA-N 2 0 281.444 1.741 10 0 CDAERP [NH3+]CCCC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000189028267 140106748 /nfs/dbraw/zinc/10/67/48/140106748.db2.gz QWFCYNLBVSBTFT-FZMZJTMJSA-N 2 0 297.349 1.265 10 0 CDAERP CC(C)[NH2+]CCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000193480029 140144853 /nfs/dbraw/zinc/14/48/53/140144853.db2.gz XQHFQYAMPCMLHM-SJPCQFCGSA-N 2 0 294.487 1.227 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCCc1ccccc1 ZINC000234783652 140231609 /nfs/dbraw/zinc/23/16/09/140231609.db2.gz WEQFWXWWVQWDOV-HNNXBMFYSA-N 2 0 250.386 1.963 10 0 CDAERP C[C@H]([NH2+][C@H]1CCC[C@H]1C[NH3+])c1ccc2[nH]c(=O)[nH]c2c1 ZINC000251542579 140308902 /nfs/dbraw/zinc/30/89/02/140308902.db2.gz OZHLGHPGHJWHEN-DLOVCJGASA-N 2 0 274.368 1.634 10 0 CDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000261539199 140344324 /nfs/dbraw/zinc/34/43/24/140344324.db2.gz BUROCNLNFHBISM-FVQBIDKESA-N 2 0 289.423 1.751 10 0 CDAERP C[C@@H](NC(=O)C1C[NH2+]C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261549135 140344767 /nfs/dbraw/zinc/34/47/67/140344767.db2.gz OFUSOYGKPUAHFD-HIFRSBDPSA-N 2 0 287.407 1.233 10 0 CDAERP Brc1cnn(CC[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000261579594 140354498 /nfs/dbraw/zinc/35/44/98/140354498.db2.gz MJMWWQJLLWUDNK-LLVKDONJSA-N 2 0 287.205 1.377 10 0 CDAERP C[C@@]1(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)CC[NH2+]C1 ZINC000261722001 140380309 /nfs/dbraw/zinc/38/03/09/140380309.db2.gz FYSISATXXJVZAY-RHSMWYFYSA-N 2 0 299.422 1.908 10 0 CDAERP C[C@@]1(C[NH3+])CC[N@H+](CCOCCOc2ccccc2)C1 ZINC000261782695 140388835 /nfs/dbraw/zinc/38/88/35/140388835.db2.gz NBMDGYFPCURYJL-INIZCTEOSA-N 2 0 278.396 1.753 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]([NH3+])C1CCOCC1)[N@@H+]1CCCC[C@H]1C ZINC000261854993 140399573 /nfs/dbraw/zinc/39/95/73/140399573.db2.gz RVKDSRUVDXDNDM-IPYPFGDCSA-N 2 0 297.443 1.119 10 0 CDAERP C[C@H](Cc1ccoc1)[NH2+]CCCC[NH+]1CCOCC1 ZINC000449082703 397718533 /nfs/dbraw/zinc/71/85/33/397718533.db2.gz PFPXIHPAZDJUCQ-CQSZACIVSA-N 2 0 266.385 1.913 10 0 CDAERP CC[NH+]1CCC(NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000654351089 413174552 /nfs/dbraw/zinc/17/45/52/413174552.db2.gz CCASPHVKSFKCGQ-XBXGTLAGSA-N 2 0 282.432 1.110 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCCC[NH+]2CCCCC2)C1 ZINC000654356200 413177059 /nfs/dbraw/zinc/17/70/59/413177059.db2.gz OTVVVSFIICHZFW-GASCZTMLSA-N 2 0 296.459 1.502 10 0 CDAERP COC[C@@H](CC[NH2+]C1CC[NH+](C(C)(C)C)CC1)OC ZINC000658084170 413186601 /nfs/dbraw/zinc/18/66/01/413186601.db2.gz HVYHXEMQAVPLHH-CQSZACIVSA-N 2 0 272.433 1.890 10 0 CDAERP O[C@@]1(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCOC1 ZINC000404206541 413202699 /nfs/dbraw/zinc/20/26/99/413202699.db2.gz NORHBGSGJCATKW-INIZCTEOSA-N 2 0 291.395 1.182 10 0 CDAERP CC(C)[C@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)[NH+](C)C ZINC000121779537 147382655 /nfs/dbraw/zinc/38/26/55/147382655.db2.gz RPHYXVRYCWKOSZ-MRXNPFEDSA-N 2 0 295.471 1.907 10 0 CDAERP CCCC[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001664036580 1172803436 /nfs/dbraw/zinc/80/34/36/1172803436.db2.gz MDCWSUZTFNSLFE-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CCOCC[N@@H+]1CCN(C[C@@]2(C)CC[NH2+]C2)C[C@H]1CC ZINC000262066091 149007637 /nfs/dbraw/zinc/00/76/37/149007637.db2.gz RRJKHTYGYMANDO-CVEARBPZSA-N 2 0 283.460 1.419 10 0 CDAERP CC(C)(C)[C@@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C[C@@H]1O ZINC000262141296 149026629 /nfs/dbraw/zinc/02/66/29/149026629.db2.gz ZEXKZCUZWRKIJA-IPYPFGDCSA-N 2 0 254.418 1.715 10 0 CDAERP C[N@@H+]1CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)C2(CCCCC2)C1 ZINC000262648934 149089839 /nfs/dbraw/zinc/08/98/39/149089839.db2.gz PXYAWSGHHQQUIE-GJZGRUSLSA-N 2 0 293.455 1.981 10 0 CDAERP CC(C)(C)c1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000263222645 149124162 /nfs/dbraw/zinc/12/41/62/149124162.db2.gz MEYPAIAKRYBPKU-ZFWWWQNUSA-N 2 0 262.397 1.654 10 0 CDAERP CN1CCCC(C)(C)[C@@H]1C[NH2+]C1CCC([NH3+])CC1 ZINC000335011491 150183488 /nfs/dbraw/zinc/18/34/88/150183488.db2.gz MQKQVQBVBUQNEJ-RUXDESIVSA-N 2 0 253.434 1.966 10 0 CDAERP COCC1(C[NH2+][C@@H]2CCCSC2)CC[NH2+]CC1 ZINC000414976697 292247302 /nfs/dbraw/zinc/24/73/02/292247302.db2.gz PSXYHQYWDFQOSN-GFCCVEGCSA-N 2 0 258.431 1.488 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000343827011 152316849 /nfs/dbraw/zinc/31/68/49/152316849.db2.gz CMIGDZTZHVIQBL-UONOGXRCSA-N 2 0 267.417 1.413 10 0 CDAERP C[NH+](C)[C@H]1CCN(C(=O)[C@](C)([NH3+])c2ccccc2)C1 ZINC000062972363 289385027 /nfs/dbraw/zinc/38/50/27/289385027.db2.gz OSQBIZHGLSDVBY-DZGCQCFKSA-N 2 0 261.369 1.023 10 0 CDAERP [NH3+]Cc1ccc(-n2cc(CC[NH+]3CCCCC3)nn2)cc1 ZINC000656459794 413291566 /nfs/dbraw/zinc/29/15/66/413291566.db2.gz URVDPTKJAAPATB-UHFFFAOYSA-N 2 0 285.395 1.754 10 0 CDAERP C[NH2+]CCCC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000662687414 413315804 /nfs/dbraw/zinc/31/58/04/413315804.db2.gz XSXWSTYQXJEFFU-AWEZNQCLSA-N 2 0 277.368 1.286 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH2+]CC2CCC(O)CC2)[C@H](C)C1 ZINC000658283285 413334885 /nfs/dbraw/zinc/33/48/85/413334885.db2.gz FCEIPYKBXNNHNG-XSCHDIRWSA-N 2 0 254.418 1.857 10 0 CDAERP C[C@@H](CNC(=O)CC1([NH3+])CC1)[NH+]1CCC(C)CC1 ZINC000662699447 413340191 /nfs/dbraw/zinc/34/01/91/413340191.db2.gz AEVHEPWNVJIVKZ-LBPRGKRZSA-N 2 0 253.390 1.104 10 0 CDAERP CC(C)C[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH+](C)C ZINC000362762323 159232076 /nfs/dbraw/zinc/23/20/76/159232076.db2.gz HSRPHOIFJAJPCH-OAHLLOKOSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC000662732577 413400500 /nfs/dbraw/zinc/40/05/00/413400500.db2.gz YBDOAKYQNDBFGU-CYBMUJFWSA-N 2 0 260.341 1.438 10 0 CDAERP C[C@@H](NC(=O)NC1CC([NH+]2CCCCC2)C1)[C@H](C)[NH3+] ZINC000418111663 286968893 /nfs/dbraw/zinc/96/88/93/286968893.db2.gz AFMMWADYORCPAB-ZFDZMSFRSA-N 2 0 268.405 1.038 10 0 CDAERP [NH3+]C[C@H](c1cccs1)N1CC[NH+](CC2CC2)CC1 ZINC000020179377 171044188 /nfs/dbraw/zinc/04/41/88/171044188.db2.gz KGXBIZUFRCHKNQ-CYBMUJFWSA-N 2 0 265.426 1.776 10 0 CDAERP [NH3+]C[C@@]1(N2CCc3ccccc32)C[NH+]2CCC1CC2 ZINC000020442193 171205238 /nfs/dbraw/zinc/20/52/38/171205238.db2.gz XHMLPAIPHMWZIN-MRXNPFEDSA-N 2 0 257.381 1.472 10 0 CDAERP [NH3+]Cc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000022168127 171366652 /nfs/dbraw/zinc/36/66/52/171366652.db2.gz UCQQUYALVRIFSR-UHFFFAOYSA-N 2 0 261.369 1.960 10 0 CDAERP C[NH+]1CCN([C@H](C[NH3+])c2ccc(C(F)(F)F)cc2)CC1 ZINC000022213752 171375089 /nfs/dbraw/zinc/37/50/89/171375089.db2.gz WEHGOCKWCOSGAR-CYBMUJFWSA-N 2 0 287.329 1.953 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000653210821 412140667 /nfs/dbraw/zinc/14/06/67/412140667.db2.gz IZWIELKQJYRRNM-IUODEOHRSA-N 2 0 275.396 1.540 10 0 CDAERP [NH3+]CC1(CCNC(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000653215914 412141535 /nfs/dbraw/zinc/14/15/35/412141535.db2.gz ILHFIQOFZAWXLE-AWEZNQCLSA-N 2 0 275.396 1.712 10 0 CDAERP [NH3+]Cc1cc(C(=O)N2CC3CCC2(C[NH3+])CC3)co1 ZINC000653169484 412106226 /nfs/dbraw/zinc/10/62/26/412106226.db2.gz IDOJONCAYBWASQ-UHFFFAOYSA-N 2 0 263.341 1.082 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)c1ccnc(C[NH3+])c1 ZINC000653175855 412114692 /nfs/dbraw/zinc/11/46/92/412114692.db2.gz DCYZNJQWKVJWNO-UHFFFAOYSA-N 2 0 278.400 1.248 10 0 CDAERP [NH3+]CC1(CCNC(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000653221090 412147878 /nfs/dbraw/zinc/14/78/78/412147878.db2.gz HKUCLJBYYOOWIN-UHFFFAOYSA-N 2 0 267.417 1.531 10 0 CDAERP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)CC1([NH3+])CC1 ZINC000662788911 413500106 /nfs/dbraw/zinc/50/01/06/413500106.db2.gz QJUFEXMUNJUQBP-LLVKDONJSA-N 2 0 253.390 1.057 10 0 CDAERP CCN(C(=O)N[C@@H](C)C1=CC[NH+](C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000664624291 413552531 /nfs/dbraw/zinc/55/25/31/413552531.db2.gz APHILNJBVJBSBO-ZFWWWQNUSA-N 2 0 294.443 1.372 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(C)CC2C[NH+](C)C2)C1 ZINC000660889695 413624631 /nfs/dbraw/zinc/62/46/31/413624631.db2.gz LUJUJDMINIXSHY-CQSZACIVSA-N 2 0 296.459 1.167 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)CC1CC[NH2+]CC1 ZINC000664721555 413617654 /nfs/dbraw/zinc/61/76/54/413617654.db2.gz SKCWLPUIJQEPDV-UHFFFAOYSA-N 2 0 269.433 1.613 10 0 CDAERP [NH3+][C@@H]1CN(C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC[C@H]1F ZINC000659388807 413772432 /nfs/dbraw/zinc/77/24/32/413772432.db2.gz MXXPEAROBWVDJB-FVCCEPFGSA-N 2 0 271.380 1.182 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]3C[NH+](C)CC[C@H]32)C1 ZINC000654927588 413824451 /nfs/dbraw/zinc/82/44/51/413824451.db2.gz SUGQCUOKNJSCRP-QLFBSQMISA-N 2 0 279.428 1.271 10 0 CDAERP COC[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)C1CCOCC1 ZINC000661160794 413851606 /nfs/dbraw/zinc/85/16/06/413851606.db2.gz NNMKPIILPQFGIY-HOTGVXAUSA-N 2 0 284.444 1.892 10 0 CDAERP C[C@H]([NH2+]CCCn1ccnc1)[C@H]1CCC[N@H+](C)C1 ZINC000037222055 173041331 /nfs/dbraw/zinc/04/13/31/173041331.db2.gz VPSLNMLSLOEJFM-KBPBESRZSA-N 2 0 250.390 1.593 10 0 CDAERP CO[C@H]1CCCC[C@@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000037229191 173049199 /nfs/dbraw/zinc/04/91/99/173049199.db2.gz LVOLIBFFQQDQKK-GJZGRUSLSA-N 2 0 269.433 1.171 10 0 CDAERP C[C@@H]1CN(CCC[NH2+]Cc2cc3n(n2)CCC3)C[C@H](C)O1 ZINC000657294764 414129021 /nfs/dbraw/zinc/12/90/21/414129021.db2.gz DXMQFKXMGLYQKN-OKILXGFUSA-N 2 0 292.427 1.418 10 0 CDAERP CN(CC[N@H+](C)C1CC1)C(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000665361410 414107422 /nfs/dbraw/zinc/10/74/22/414107422.db2.gz OWQIWIGBSSEFDD-CQSZACIVSA-N 2 0 296.459 1.595 10 0 CDAERP CC[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)CO1 ZINC000657356489 414224846 /nfs/dbraw/zinc/22/48/46/414224846.db2.gz MZFDMGAUAVSJOD-RBSFLKMASA-N 2 0 270.417 1.380 10 0 CDAERP COCC1(C[NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000655818067 414233155 /nfs/dbraw/zinc/23/31/55/414233155.db2.gz QAQMBMAHHVMEDL-UHFFFAOYSA-N 2 0 252.402 1.877 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000655804134 414198381 /nfs/dbraw/zinc/19/83/81/414198381.db2.gz QXEZUVKZJNAFCN-DGADGQDISA-N 3 0 265.445 1.789 10 0 CDAERP CCC[C@](C)(O)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657359250 414215644 /nfs/dbraw/zinc/21/56/44/414215644.db2.gz KGHHYMOGIIYZDQ-HNNXBMFYSA-N 2 0 274.368 1.908 10 0 CDAERP COCC1(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000655815986 414217261 /nfs/dbraw/zinc/21/72/61/414217261.db2.gz MALCSNMKSJOFRC-MJBXVCDLSA-N 2 0 252.402 1.875 10 0 CDAERP C[NH+](C)CC(C)(C)CNC(=O)C[NH2+]C1CCCC1 ZINC000037622852 173575259 /nfs/dbraw/zinc/57/52/59/173575259.db2.gz LOSJWMSUJZGMAO-UHFFFAOYSA-N 2 0 255.406 1.223 10 0 CDAERP CCN(C(=O)NC1CC[NH+](CC)CC1)[C@H]1CC[N@H+](C)C1 ZINC000663454351 414262270 /nfs/dbraw/zinc/26/22/70/414262270.db2.gz KSFIIGZOFZVXRN-AWEZNQCLSA-N 2 0 282.432 1.206 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCO1 ZINC000657423628 414312036 /nfs/dbraw/zinc/31/20/36/414312036.db2.gz JODXUQFRMRYIPQ-CHWSQXEVSA-N 2 0 272.352 1.924 10 0 CDAERP CC[C@@H]1C[C@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)CO1 ZINC000657459089 414353562 /nfs/dbraw/zinc/35/35/62/414353562.db2.gz SQVJMEBTHSVQOR-UONOGXRCSA-N 2 0 269.433 1.170 10 0 CDAERP C[C@@H](CNCc1ccnn1-c1cc[nH+]cc1)C[NH+](C)C ZINC000657472003 414367464 /nfs/dbraw/zinc/36/74/64/414367464.db2.gz LGQGMOCHLIVHEU-ZDUSSCGKSA-N 2 0 273.384 1.555 10 0 CDAERP CC(C)(CO)CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657479900 414378311 /nfs/dbraw/zinc/37/83/11/414378311.db2.gz YWHISMRJAVKICM-UHFFFAOYSA-N 2 0 274.368 1.766 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=O)N(CC)[C@H]2CC[NH+](C)C2)C1 ZINC000663787844 414462312 /nfs/dbraw/zinc/46/23/12/414462312.db2.gz LXWVEZHILFSMKZ-CABCVRRESA-N 2 0 296.459 1.454 10 0 CDAERP CC[C@H]1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCS1 ZINC000662255784 414589438 /nfs/dbraw/zinc/58/94/38/414589438.db2.gz RNDBNPHMFXVRDO-NEPJUHHUSA-N 2 0 256.415 1.335 10 0 CDAERP CCO[C@@H]1C[N@H+](C[C@H](CC)CC(F)F)C[C@H]1C[NH3+] ZINC000662286940 414615641 /nfs/dbraw/zinc/61/56/41/414615641.db2.gz UPGZWOCTPXRRDK-IJLUTSLNSA-N 2 0 264.360 1.963 10 0 CDAERP CC[C@@H](c1ccc(F)cc1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038030941 174023233 /nfs/dbraw/zinc/02/32/33/174023233.db2.gz MDAHCHJRIFUOCW-HNNXBMFYSA-N 2 0 293.386 1.640 10 0 CDAERP O=C1CC[C@@H]2C[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)CC[C@@H]2N1 ZINC000662306206 414628727 /nfs/dbraw/zinc/62/87/27/414628727.db2.gz PDIVWBINAWWKFE-WBVHZDCISA-N 2 0 299.418 1.433 10 0 CDAERP C[NH2+]CCC[NH2+][C@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000662310223 414631560 /nfs/dbraw/zinc/63/15/60/414631560.db2.gz IFXPVSRQZOGECK-KBPBESRZSA-N 2 0 250.390 1.330 10 0 CDAERP CC(C)=CC[NH+]1CCC(NC[C@@H](C)[NH+](C)C)CC1 ZINC000038087362 174099540 /nfs/dbraw/zinc/09/95/40/174099540.db2.gz ZWVRHUHSPRLFCZ-CQSZACIVSA-N 2 0 253.434 1.957 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)CCCCCC[NH3+])C1 ZINC000040503618 174300758 /nfs/dbraw/zinc/30/07/58/174300758.db2.gz MDCCRVXGVQBYBW-CYBMUJFWSA-N 2 0 255.406 1.496 10 0 CDAERP Cc1cc(C)c(C[NH3+])c(N(C)C2CC[NH+](C)CC2)n1 ZINC000040509317 174303557 /nfs/dbraw/zinc/30/35/57/174303557.db2.gz CYYVQZNIOOFRQT-UHFFFAOYSA-N 2 0 262.401 1.688 10 0 CDAERP Cc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)c(=O)[nH]1 ZINC000040623495 174355817 /nfs/dbraw/zinc/35/58/17/174355817.db2.gz BXLJYXQKBBGVGZ-RISCZKNCSA-N 2 0 292.427 1.768 10 0 CDAERP CO[C@H]1C[NH2+][C@@H](CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000040637324 174362139 /nfs/dbraw/zinc/36/21/39/174362139.db2.gz UNNFLYJHPYLYLL-IAGOWNOFSA-N 2 0 289.423 1.181 10 0 CDAERP C[C@@H]([NH3+])[C@H](c1ccccn1)N(C)C1CC[NH+](C)CC1 ZINC000043338857 175013113 /nfs/dbraw/zinc/01/31/13/175013113.db2.gz VMNKTVPGMLYCKC-IUODEOHRSA-N 2 0 262.401 1.496 10 0 CDAERP CC[C@@H]([NH3+])[C@@H](c1ccccn1)N1CC[NH+](CC)CC1 ZINC000043338843 175013447 /nfs/dbraw/zinc/01/34/47/175013447.db2.gz XKFOSMZHFGLAFX-HIFRSBDPSA-N 2 0 262.401 1.498 10 0 CDAERP CC[C@@H]([NH3+])[C@H](c1ccncc1)N1CC[NH+](CC)CC1 ZINC000043353014 175020039 /nfs/dbraw/zinc/02/00/39/175020039.db2.gz RMQTUIHIPAXPBL-CABCVRRESA-N 2 0 262.401 1.498 10 0 CDAERP CCC(C)(C)NC(=O)[C@@H](C)[N@H+](CCC[NH3+])CC(C)C ZINC000043417386 175038434 /nfs/dbraw/zinc/03/84/34/175038434.db2.gz DSOGGVXNTSXSLW-CYBMUJFWSA-N 2 0 271.449 1.987 10 0 CDAERP C[NH2+][C@@H](CN1CC[NH+](C(C)C)CC1)c1ccccc1OC ZINC000043896902 175119839 /nfs/dbraw/zinc/11/98/39/175119839.db2.gz CGCADGNIOXKDNA-INIZCTEOSA-N 2 0 291.439 1.982 10 0 CDAERP C[NH2+][C@H]1CCCC[C@@H]1N1CC[NH+](C(C)(C)C)CC1 ZINC000043965520 175127244 /nfs/dbraw/zinc/12/72/44/175127244.db2.gz ONOBLSNNIBSUCK-KBPBESRZSA-N 2 0 253.434 1.933 10 0 CDAERP CCC[NH2+][C@@H]1CCOC[C@@H]1N1CC[NH+](CC2CC2)CC1 ZINC000043968022 175128964 /nfs/dbraw/zinc/12/89/64/175128964.db2.gz BSSYRGVJYNUYJG-CVEARBPZSA-N 2 0 281.444 1.171 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)C2(C[NH3+])CCCCCC2)C1 ZINC000044763178 175247194 /nfs/dbraw/zinc/24/71/94/175247194.db2.gz YQMNKQLGBVNAKY-ZDUSSCGKSA-N 2 0 267.417 1.496 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CNC(=O)C1(C[NH3+])CCCCC1 ZINC000044764407 175248759 /nfs/dbraw/zinc/24/87/59/175248759.db2.gz FTWRFWXJTJZRBL-CYBMUJFWSA-N 2 0 267.417 1.496 10 0 CDAERP CCC[C@H](C[NH3+])C(=O)NCC[NH+](C(C)C)C(C)C ZINC000044797458 175254863 /nfs/dbraw/zinc/25/48/63/175254863.db2.gz BKEXNAXZDMEKOC-CYBMUJFWSA-N 2 0 257.422 1.596 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@H](C[NH3+])Cc2ccccc2)CC1 ZINC000044802179 175255405 /nfs/dbraw/zinc/25/54/05/175255405.db2.gz SJBIZPUXQSJASR-HNNXBMFYSA-N 2 0 289.423 1.357 10 0 CDAERP [NH3+]C[C@H](Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044808504 175257050 /nfs/dbraw/zinc/25/70/50/175257050.db2.gz HDYSMUDDEPDQON-LSDHHAIUSA-N 2 0 287.407 1.157 10 0 CDAERP C[N@H+](C[C@H](O)COc1cccc(C[NH3+])c1)CC(C)(C)C ZINC000045068705 175300898 /nfs/dbraw/zinc/30/08/98/175300898.db2.gz PIRCTXLHLZQWPW-AWEZNQCLSA-N 2 0 280.412 1.863 10 0 CDAERP CC[NH2+]C1CCN(C[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000045135353 175312328 /nfs/dbraw/zinc/31/23/28/175312328.db2.gz KIEHPAVGFXGBTF-CQSZACIVSA-N 2 0 253.434 1.791 10 0 CDAERP CCC[C@@H](C[NH3+])C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000045135569 175313260 /nfs/dbraw/zinc/31/32/60/175313260.db2.gz FDIRJWCVIZDKRV-OLZOCXBDSA-N 2 0 255.406 1.208 10 0 CDAERP COC(=O)[C@](C)([NH3+])CCCC[N@H+](C)CCc1ccccn1 ZINC000045371928 175364554 /nfs/dbraw/zinc/36/45/54/175364554.db2.gz JCZDENJPEFQTKY-MRXNPFEDSA-N 2 0 293.411 1.617 10 0 CDAERP CC(C)[NH2+][C@@](C)(CCC[N@H+]1C[C@H](C)C[C@H](C)C1)C(N)=O ZINC000045373652 175365310 /nfs/dbraw/zinc/36/53/10/175365310.db2.gz GDYRRFACZCXKDT-LZWOXQAQSA-N 2 0 283.460 1.987 10 0 CDAERP CC(C)[NH2+][C@@](C)(CCC[N@H+](C)[C@@H](C)C1CC1)C(N)=O ZINC000045393071 175375362 /nfs/dbraw/zinc/37/53/62/175375362.db2.gz HIOFEWMEKWGSRK-WFASDCNBSA-N 2 0 269.433 1.739 10 0 CDAERP CC[NH2+][C@@](C)(CCC[N@H+](C)[C@@H](C)C1CC1)C(N)=O ZINC000045393025 175375844 /nfs/dbraw/zinc/37/58/44/175375844.db2.gz RYHLHRGRGPSEHD-FZMZJTMJSA-N 2 0 255.406 1.350 10 0 CDAERP CN(C[C@@H](C[NH3+])c1ccccc1)C[C@@H]1CC[N@H+](C)C1 ZINC000070940375 176013887 /nfs/dbraw/zinc/01/38/87/176013887.db2.gz QVZJUJWFLMTBQX-GDBMZVCRSA-N 2 0 261.413 1.612 10 0 CDAERP CC[NH2+][C@@H]1CCCN([C@@H](CC(C)C)C[NH+](C)C)C1=O ZINC000071032007 176022872 /nfs/dbraw/zinc/02/28/72/176022872.db2.gz MMDVBEIWIHXESX-UONOGXRCSA-N 2 0 269.433 1.563 10 0 CDAERP CCC[NH+]1CCC(N2CCC[C@@H]([NH2+]CC)C2=O)CC1 ZINC000071032034 176023062 /nfs/dbraw/zinc/02/30/62/176023062.db2.gz DTEUGLXJOCKDFI-CQSZACIVSA-N 2 0 267.417 1.461 10 0 CDAERP CCC[NH2+][C@H]1CCN([C@H](CC(C)C)C[NH+](C)C)C1=O ZINC000071032006 176023282 /nfs/dbraw/zinc/02/32/82/176023282.db2.gz KIZQJLCKWPBSGD-KGLIPLIRSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)[NH+](CCN1CCC[C@@H]([NH2+]C2CC2)C1=O)C(C)C ZINC000071036176 176025436 /nfs/dbraw/zinc/02/54/36/176025436.db2.gz SYLISUYVLCZFKI-OAHLLOKOSA-N 2 0 281.444 1.848 10 0 CDAERP C[NH2+][C@H]1CCCN(C[C@H](C)[NH+]2CCCCC2)C1=O ZINC000071036371 176025472 /nfs/dbraw/zinc/02/54/72/176025472.db2.gz RWMOIBMWSBUVKC-STQMWFEESA-N 2 0 253.390 1.071 10 0 CDAERP CC[NH2+][C@H]1CCN(C[C@@H](C)[NH+]2CCCCC2)C1=O ZINC000071036384 176025538 /nfs/dbraw/zinc/02/55/38/176025538.db2.gz RBEJWGDMCMUVGJ-OLZOCXBDSA-N 2 0 253.390 1.071 10 0 CDAERP C[NH2+][C@H]1CCCN(CC[N@H+](C)C2CCCC2)C1=O ZINC000071043701 176029848 /nfs/dbraw/zinc/02/98/48/176029848.db2.gz UXUHPTMEDALRGS-ZDUSSCGKSA-N 2 0 253.390 1.071 10 0 CDAERP COc1ccc(C)cc1[C@@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071148536 176044011 /nfs/dbraw/zinc/04/40/11/176044011.db2.gz AGZUBAGLOPTXCA-OAHLLOKOSA-N 2 0 291.439 1.902 10 0 CDAERP C[C@@H]([NH3+])[C@H](c1ccccn1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071187991 176061497 /nfs/dbraw/zinc/06/14/97/176061497.db2.gz IZRYGWCLSTUZIP-UMVBOHGHSA-N 2 0 262.401 1.353 10 0 CDAERP C[C@H]1CCCC[C@]1(C[NH3+])N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188591 176063844 /nfs/dbraw/zinc/06/38/44/176063844.db2.gz VPPRBFDFOHZQFJ-RRFJBIMHSA-N 2 0 253.434 1.778 10 0 CDAERP C[C@H]([NH2+]CCN(C)C[C@@H]1CC[N@H+](C)C1)[C@H]1CCCO1 ZINC000071192386 176073188 /nfs/dbraw/zinc/07/31/88/176073188.db2.gz KZSXQCNIGDDQIA-RRFJBIMHSA-N 2 0 269.433 1.027 10 0 CDAERP CN(CC[NH2+]Cc1cccs1)C[C@H]1CC[N@H+](C)C1 ZINC000071192418 176073487 /nfs/dbraw/zinc/07/34/87/176073487.db2.gz WYTBLFASXSVMCB-ZDUSSCGKSA-N 2 0 267.442 1.721 10 0 CDAERP C[C@@H](CN1CC[C@H]([NH2+]C2CC2)C1)C[NH+]1CCCC1 ZINC000071200146 176077213 /nfs/dbraw/zinc/07/72/13/176077213.db2.gz RQXFJKMOUVDAFE-HIFRSBDPSA-N 2 0 251.418 1.545 10 0 CDAERP COCC[N@H+](CCCOCC(F)(F)F)CCC(N)=[NH2+] ZINC000071229065 176091094 /nfs/dbraw/zinc/09/10/94/176091094.db2.gz PJDLSOLRRZIJSG-UHFFFAOYSA-N 2 0 285.310 1.230 10 0 CDAERP COCC[NH2+]Cc1cc(C)ccc1OCC[NH+](C)C ZINC000071407581 176156220 /nfs/dbraw/zinc/15/62/20/176156220.db2.gz FSCNTGAYFSMMQG-UHFFFAOYSA-N 2 0 266.385 1.671 10 0 CDAERP COc1cccc([C@@H](CC[NH3+])C[NH+]2CCOCC2)c1 ZINC000076680121 177057879 /nfs/dbraw/zinc/05/78/79/177057879.db2.gz PCIGDNVZHCEXCD-AWEZNQCLSA-N 2 0 264.369 1.460 10 0 CDAERP O[C@@]1(C[NH2+]CCCc2nc3ccccc3s2)CC[NH2+]C1 ZINC000077323533 177253574 /nfs/dbraw/zinc/25/35/74/177253574.db2.gz QKMCKBSSGZPMBD-OAHLLOKOSA-N 2 0 291.420 1.543 10 0 CDAERP CC[C@@H]1CCC[N@H+](CCC(=O)N(C)CCC[NH3+])CC1 ZINC000079303931 177466583 /nfs/dbraw/zinc/46/65/83/177466583.db2.gz ZSWRNKGOHMPCFM-CQSZACIVSA-N 2 0 269.433 1.696 10 0 CDAERP C[N@H+](CCCNC(=O)[C@]1(C)CCC[NH2+]1)Cc1ccccc1 ZINC000079510524 177510140 /nfs/dbraw/zinc/51/01/40/177510140.db2.gz TVZIQFDPCKZGKY-KRWDZBQOSA-N 2 0 289.423 1.767 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417984800 227389154 /nfs/dbraw/zinc/38/91/54/227389154.db2.gz DTLUDRLWZYKGJW-XUXIUFHCSA-N 2 0 296.459 1.674 10 0 CDAERP C[C@H](C[NH3+])N(C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000417941921 227249052 /nfs/dbraw/zinc/24/90/52/227249052.db2.gz NICQXVKSENVKRN-BPLDGKMQSA-N 2 0 290.411 1.420 10 0 CDAERP c1cnc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cn1 ZINC000390255886 262167428 /nfs/dbraw/zinc/16/74/28/262167428.db2.gz XKDASICNJMTZML-OWCLPIDISA-N 2 0 274.412 1.920 10 0 CDAERP CC1CC[NH+](C[C@@H]2CCCN(C[C@H]3C[NH2+]CCO3)C2)CC1 ZINC000662259700 423803932 /nfs/dbraw/zinc/80/39/32/423803932.db2.gz AFAFOMZSVCRVQY-DLBZAZTESA-N 2 0 295.471 1.419 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655446790 423863862 /nfs/dbraw/zinc/86/38/62/423863862.db2.gz AZZSKFVKYUOTJW-JYYAWHABSA-N 2 0 293.455 1.755 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2)C1CCCCC1 ZINC000655444499 423850267 /nfs/dbraw/zinc/85/02/67/423850267.db2.gz FMPAFJBKMWUSCL-RDJZCZTQSA-N 2 0 293.455 1.757 10 0 CDAERP CC[C@@H](C[NH+]1CCCC1)NC(=O)NCCC1(C[NH3+])CC1 ZINC000652167013 423987247 /nfs/dbraw/zinc/98/72/47/423987247.db2.gz HNLOJNFTHZIPSW-ZDUSSCGKSA-N 2 0 282.432 1.289 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000652215971 424067684 /nfs/dbraw/zinc/06/76/84/424067684.db2.gz FGCZCWNMSHJKNA-KBPBESRZSA-N 2 0 284.448 1.533 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N(C)CC[NH+]1CCCCC1 ZINC000652215878 424068625 /nfs/dbraw/zinc/06/86/25/424068625.db2.gz BTCOESGZLBMATH-ZIAGYGMSSA-N 2 0 282.432 1.112 10 0 CDAERP C[C@@H](C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000655246290 424072996 /nfs/dbraw/zinc/07/29/96/424072996.db2.gz GKVXGSNKKHHRKZ-AIEDFZFUSA-N 2 0 281.444 1.704 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000652216997 424075024 /nfs/dbraw/zinc/07/50/24/424075024.db2.gz LPRARTUQNUSLEZ-UONOGXRCSA-N 2 0 284.448 1.404 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000652225321 424088761 /nfs/dbraw/zinc/08/87/61/424088761.db2.gz WEFKIVSXHMGACB-CABCVRRESA-N 2 0 298.475 1.591 10 0 CDAERP [NH3+]C1(CNC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)CCCCCC1 ZINC000653044814 424156269 /nfs/dbraw/zinc/15/62/69/424156269.db2.gz CWVAWHQFIBEDNF-KBPBESRZSA-N 2 0 279.428 1.685 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000652223502 424099801 /nfs/dbraw/zinc/09/98/01/424099801.db2.gz HBDKPXJQTUMLFE-SWLSCSKDSA-N 2 0 290.411 1.333 10 0 CDAERP CN(CC[NH+]1CCCCC1)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000653273631 424208660 /nfs/dbraw/zinc/20/86/60/424208660.db2.gz JNXGGDLSOOJXHY-JYJNAYRXSA-N 2 0 293.455 1.851 10 0 CDAERP CCC[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662592360 424211497 /nfs/dbraw/zinc/21/14/97/424211497.db2.gz JBGZJZNYYPXGDP-RYUDHWBXSA-N 2 0 255.406 1.350 10 0 CDAERP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655515438 424165641 /nfs/dbraw/zinc/16/56/41/424165641.db2.gz JYUPCNJGDPVOMR-SFYZADRCSA-N 2 0 269.311 1.016 10 0 CDAERP [NH3+]C[C@@H](NC(=O)C[C@@H]([NH3+])c1ccccc1)C(F)(F)F ZINC000655516713 424179995 /nfs/dbraw/zinc/17/99/95/424179995.db2.gz XOLBLCSQTUATBZ-NXEZZACHSA-N 2 0 275.274 1.082 10 0 CDAERP CC/C=C\CC[NH2+]C[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001667033843 1173225819 /nfs/dbraw/zinc/22/58/19/1173225819.db2.gz QFNKCKZOBJYQGG-YVACAVLKSA-N 2 0 293.455 1.875 10 0 CDAERP C[C@H]1C[C@@H](N(C)C(=O)NCC2([NH3+])CCCC2)CC[N@@H+]1C ZINC000659573268 424239688 /nfs/dbraw/zinc/23/96/88/424239688.db2.gz NZDCCLCRBQXSEQ-STQMWFEESA-N 2 0 282.432 1.382 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC[C@]2(O)CCCOC2)[C@@H]2CCC[C@@H]21 ZINC000652326894 424245291 /nfs/dbraw/zinc/24/52/91/424245291.db2.gz OQBAZZCERIJGHE-YHUYYLMFSA-N 2 0 282.428 1.380 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CC[NH+]1C[C@H]2COC[C@]2(C)C1 ZINC000661702344 424249773 /nfs/dbraw/zinc/24/97/73/424249773.db2.gz PQLSTPDPPNPZTJ-ZNMIVQPWSA-N 2 0 252.402 1.829 10 0 CDAERP COc1ccc(C2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)nc1 ZINC000652344458 424276123 /nfs/dbraw/zinc/27/61/23/424276123.db2.gz IKEKKSICCYXFAN-ZDUSSCGKSA-N 2 0 275.396 1.879 10 0 CDAERP C[C@@H](CNC(=O)C1([NH2+]C2CC2)CCC1)C[NH+]1CCCC1 ZINC000662687645 424316974 /nfs/dbraw/zinc/31/69/74/424316974.db2.gz IQEYEAXKNSKSLD-ZDUSSCGKSA-N 2 0 279.428 1.509 10 0 CDAERP C[C@H](CNC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)[NH+](C)C1CC1 ZINC000660856074 424390917 /nfs/dbraw/zinc/39/09/17/424390917.db2.gz XRIPJQDPGYPGKK-TZMCWYRMSA-N 2 0 296.459 1.641 10 0 CDAERP C(C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)[C@H]1CCOC1 ZINC000400563381 424388935 /nfs/dbraw/zinc/38/89/35/424388935.db2.gz NFCKLISPSDLXNS-ZNMIVQPWSA-N 2 0 252.402 1.877 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC000665274746 424485707 /nfs/dbraw/zinc/48/57/07/424485707.db2.gz XJGQSFVSQGUQHX-UKKRHICBSA-N 2 0 262.344 1.620 10 0 CDAERP C[C@@H]([NH3+])C[C@@H](C)[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000665274845 424485979 /nfs/dbraw/zinc/48/59/79/424485979.db2.gz ZOYSFWKQFNSQFL-KBUPBQIOSA-N 2 0 281.444 1.345 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000665274667 424486553 /nfs/dbraw/zinc/48/65/53/424486553.db2.gz VMMNRCXVJOAHOD-BZUAXINKSA-N 2 0 295.471 1.737 10 0 CDAERP C([NH2+][C@H]1CCC[C@@H]([C@@H]2CCOC2)C1)C12CC(C1)C[NH2+]2 ZINC000665279355 424488610 /nfs/dbraw/zinc/48/86/10/424488610.db2.gz ASUIRLACHKEMHH-PQARUHEFSA-N 2 0 264.413 1.923 10 0 CDAERP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCC12CC(C1)C[NH2+]2 ZINC000665279615 424490322 /nfs/dbraw/zinc/49/03/22/424490322.db2.gz HHAXBDNBMDJDSR-SMOPSLFNSA-N 2 0 259.397 1.287 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000655489128 424503306 /nfs/dbraw/zinc/50/33/06/424503306.db2.gz MJIWZSBIMXQMRJ-XQQFMLRXSA-N 2 0 267.417 1.221 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655482494 424477772 /nfs/dbraw/zinc/47/77/72/424477772.db2.gz XTOUHHGTTKDRPR-HOCLYGCPSA-N 2 0 281.444 1.470 10 0 CDAERP C[C@@H](CC(=O)N[C@H](C[NH3+])C(F)(F)F)C1CC[NH2+]CC1 ZINC000655504990 424667920 /nfs/dbraw/zinc/66/79/20/424667920.db2.gz MREKHHIXTQLSGV-WCBMZHEXSA-N 2 0 281.322 1.018 10 0 CDAERP CC(C)[NH2+]CC[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001667285312 1173252132 /nfs/dbraw/zinc/25/21/32/1173252132.db2.gz QVBHDVGLGBXODY-AWEZNQCLSA-N 2 0 269.433 1.707 10 0 CDAERP C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000300522780 270320243 /nfs/dbraw/zinc/32/02/43/270320243.db2.gz OPSOEQYUMUGOBS-CHWSQXEVSA-N 2 0 267.417 1.223 10 0 CDAERP FC(F)Oc1ccc(C[NH2+]C[C@@H]2CC[NH2+]C2)cc1 ZINC000398310779 270353635 /nfs/dbraw/zinc/35/36/35/270353635.db2.gz LDFSYVAZDONBNF-LLVKDONJSA-N 2 0 256.296 1.987 10 0 CDAERP CC(C)(C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)C(=O)N1CCCC1 ZINC000530226155 271169011 /nfs/dbraw/zinc/16/90/11/271169011.db2.gz QDWGSJIGOPFWTE-QWHCGFSZSA-N 2 0 267.417 1.495 10 0 CDAERP C[C@@H]([NH2+]Cc1ccccc1-n1cccn1)[C@@H]1CC[NH2+]C1 ZINC000400392240 274252689 /nfs/dbraw/zinc/25/26/89/274252689.db2.gz IQVMWQVDZGAVSH-ZIAGYGMSSA-N 2 0 270.380 1.960 10 0 CDAERP CCC[NH+]1CCC([NH2+][C@@H]2CCc3nc[nH]c3C2)CC1 ZINC000368101492 276004975 /nfs/dbraw/zinc/00/49/75/276004975.db2.gz KQKFZUMXNGHKJP-CYBMUJFWSA-N 2 0 262.401 1.731 10 0 CDAERP CN1CC[C@H](C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)CC1=O ZINC000424378404 277163453 /nfs/dbraw/zinc/16/34/53/277163453.db2.gz NSIDJRNJTKFYOT-GLQYFDAESA-N 2 0 273.380 1.589 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2(C)OCCCO2)[C@@H]2CCC[C@H]21 ZINC000367614729 277170137 /nfs/dbraw/zinc/17/01/37/277170137.db2.gz IAKYPMYHLMFXDF-MELADBBJSA-N 2 0 268.401 1.602 10 0 CDAERP CC(C)[NH+]1CCN(C2CC[NH+](CC[C@@H](C)O)CC2)CC1 ZINC000425412564 277609089 /nfs/dbraw/zinc/60/90/89/277609089.db2.gz AGJHXHHTHYFAOJ-OAHLLOKOSA-N 2 0 283.460 1.248 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCC[NH2+]C1CCCCCC1 ZINC000418447460 277764556 /nfs/dbraw/zinc/76/45/56/277764556.db2.gz PPZHCEQKAKWOFD-UKRRQHHQSA-N 2 0 296.459 1.596 10 0 CDAERP CC(C)[C@H](O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000336829858 277924027 /nfs/dbraw/zinc/92/40/27/277924027.db2.gz JATFTQMJRVHTOS-MRXNPFEDSA-N 2 0 284.444 1.580 10 0 CDAERP COc1cccc(N2CC[C@H](C[NH2+][C@@H](C)C3C[NH2+]C3)C2)c1 ZINC000422900895 278016896 /nfs/dbraw/zinc/01/68/96/278016896.db2.gz KGVCSAMPDLFLJI-UONOGXRCSA-N 2 0 289.423 1.719 10 0 CDAERP CCC[NH+]1CCN(c2ccccc2CNCC[NH2+]C)CC1 ZINC000414833432 278825850 /nfs/dbraw/zinc/82/58/50/278825850.db2.gz SAJSBJHSZJUAKU-UHFFFAOYSA-N 2 0 290.455 1.528 10 0 CDAERP CC[NH+](CC)CCN1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000246938668 279103687 /nfs/dbraw/zinc/10/36/87/279103687.db2.gz QSLKXXQASWAQEX-BRWVUGGUSA-N 2 0 297.487 1.902 10 0 CDAERP C[C@@H]1[C@H](N[C@@H]2CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000261554261 279126171 /nfs/dbraw/zinc/12/61/71/279126171.db2.gz UCWDGXKSJVPHPL-FVQBIDKESA-N 2 0 259.397 1.601 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000062972673 279151010 /nfs/dbraw/zinc/15/10/10/279151010.db2.gz DYDBTXDKXVNPOA-FZKCQIBNSA-N 2 0 293.455 1.850 10 0 CDAERP CC[NH+](CC)[C@H](C)CN[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000355295782 279160859 /nfs/dbraw/zinc/16/08/59/279160859.db2.gz RRWXMDYEXSPIFE-GZBFAFLISA-N 2 0 253.434 1.789 10 0 CDAERP CCC[C@H](C(=O)N1CCN(CCOC)[C@@H](CC)C1)[NH+](C)C ZINC000245889413 280237042 /nfs/dbraw/zinc/23/70/42/280237042.db2.gz RKRLXKUARROISH-LSDHHAIUSA-N 2 0 299.459 1.286 10 0 CDAERP CC[C@H]([NH2+]CCCN1CCCC1=O)[C@@H]1CCC[NH2+]1 ZINC000422759046 280751650 /nfs/dbraw/zinc/75/16/50/280751650.db2.gz FKVWDYIMIBDWLM-STQMWFEESA-N 2 0 253.390 1.119 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000334581735 280990559 /nfs/dbraw/zinc/99/05/59/280990559.db2.gz DZOVLKLAUFQZMT-GFCCVEGCSA-N 2 0 265.401 1.119 10 0 CDAERP C[NH+](C)C1(CNC(=O)N[C@@H]2CCCC[NH2+]C2)CCCCC1 ZINC000333922598 282036442 /nfs/dbraw/zinc/03/64/42/282036442.db2.gz RNSFAEQGOWUYJR-CQSZACIVSA-N 2 0 296.459 1.692 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000252410744 282050008 /nfs/dbraw/zinc/05/00/08/282050008.db2.gz LYWGCBATCCIEGM-YUELXQCFSA-N 2 0 279.428 1.460 10 0 CDAERP C[NH+](C)CC(C)(C)NC(=O)CC1CC[NH+](C)CC1 ZINC000457241121 289077332 /nfs/dbraw/zinc/07/73/32/289077332.db2.gz OISZQHVEKKTQQX-UHFFFAOYSA-N 2 0 255.406 1.175 10 0 CDAERP C[NH+](C)C[C@](C)(O)C[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000341402309 289222671 /nfs/dbraw/zinc/22/26/71/289222671.db2.gz LOKXPFACYCHGPX-KLHDSHLOSA-N 2 0 284.444 1.484 10 0 CDAERP CN(CC1CC1)C(=O)CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157219750 289281852 /nfs/dbraw/zinc/28/18/52/289281852.db2.gz PSSJPPUKEAKYKE-INIZCTEOSA-N 2 0 293.455 1.805 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCOCC(F)F)[C@H]2CCC[C@H]21 ZINC000367539199 290218720 /nfs/dbraw/zinc/21/87/20/290218720.db2.gz XLXMSZFGZQLHKM-GRYCIOLGSA-N 2 0 262.344 1.731 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)CCC(=O)N2)[C@H]2CCC[C@H]21 ZINC000453403932 290220536 /nfs/dbraw/zinc/22/05/36/290220536.db2.gz DHDFWMAXQIZFRS-COMQUAJESA-N 2 0 265.401 1.118 10 0 CDAERP [NH3+]C[C@H](NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)C1CCCC1 ZINC000562816260 293204111 /nfs/dbraw/zinc/20/41/11/293204111.db2.gz IWFOCVKBPWSJKA-ZNMIVQPWSA-N 2 0 294.443 1.145 10 0 CDAERP C[NH2+]CCc1ccccc1C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000565599432 293644221 /nfs/dbraw/zinc/64/42/21/293644221.db2.gz IBSWWPVBNJRSLZ-IUODEOHRSA-N 2 0 275.396 1.176 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000567383270 293773169 /nfs/dbraw/zinc/77/31/69/293773169.db2.gz VGDQZEAXCGEQNI-MSXOGSJSSA-N 2 0 268.405 1.037 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)CCCC[NH+](C)C)CC[N@@H+]1C ZINC000568820983 294104799 /nfs/dbraw/zinc/10/47/99/294104799.db2.gz VSEJDZUMJZNAJH-ZIAGYGMSSA-N 2 0 269.433 1.659 10 0 CDAERP [NH3+]C[C@H](C(=O)N[C@H]1CC[C@@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000569241078 294180825 /nfs/dbraw/zinc/18/08/25/294180825.db2.gz JZKRWZPPGVAJGS-SWHYSGLUSA-N 2 0 279.359 1.112 10 0 CDAERP CC/C=C\CC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001668833369 1173470811 /nfs/dbraw/zinc/47/08/11/1173470811.db2.gz GZVPZFPHFDSGNK-BLWYZHBMSA-N 2 0 293.455 1.945 10 0 CDAERP Cc1nsc(C)c1C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000570388040 294227689 /nfs/dbraw/zinc/22/76/89/294227689.db2.gz ALPLTHXWYSLMRN-AWEZNQCLSA-N 2 0 295.452 1.914 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000570784724 294306313 /nfs/dbraw/zinc/30/63/13/294306313.db2.gz NGKLLKITWZZOGR-UKRRQHHQSA-N 2 0 296.459 1.406 10 0 CDAERP [NH3+][C@H]1CCC[C@H](C(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000070576927 295337093 /nfs/dbraw/zinc/33/70/93/295337093.db2.gz PUGXQWSJFGCFNP-KBPBESRZSA-N 2 0 279.428 1.591 10 0 CDAERP [NH3+][C@H]1CC[C@@H](C(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000237864772 295340778 /nfs/dbraw/zinc/34/07/78/295340778.db2.gz MKNKSZJFLZMIEY-OLZOCXBDSA-N 2 0 279.428 1.637 10 0 CDAERP C[C@H](CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000178815880 298283924 /nfs/dbraw/zinc/28/39/24/298283924.db2.gz RJUURVVPYHKLGT-IJEWVQPXSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@H]([NH3+])CCC(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000248891736 298952961 /nfs/dbraw/zinc/95/29/61/298952961.db2.gz WKACRIKYDOIPAM-IHRRRGAJSA-N 2 0 283.460 1.987 10 0 CDAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCC1([NH+](C)C)CCCC1 ZINC000416827299 300325838 /nfs/dbraw/zinc/32/58/38/300325838.db2.gz NGANNBPPRCTDCH-QWHCGFSZSA-N 2 0 282.432 1.158 10 0 CDAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]C/C=C/Cl ZINC001669289191 1173532310 /nfs/dbraw/zinc/53/23/10/1173532310.db2.gz SLMYCJKMMTVSKC-MVTQWGDUSA-N 2 0 287.835 1.706 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCCF ZINC001669751020 1173593030 /nfs/dbraw/zinc/59/30/30/1173593030.db2.gz VUSCKHJCDVDNNJ-STQMWFEESA-N 2 0 273.396 1.315 10 0 CDAERP C[C@H](C[NH2+]C[C@@H](O)CC1CCCC1)CN1CC[NH+](C)CC1 ZINC000566118272 316482304 /nfs/dbraw/zinc/48/23/04/316482304.db2.gz UAZSNIVQBPMSGW-WBVHZDCISA-N 2 0 297.487 1.401 10 0 CDAERP C[C@@H](NCC1([NH+](C)C)CCCC1)[C@H]1CCC[NH2+]C1 ZINC000575914195 317037230 /nfs/dbraw/zinc/03/72/30/317037230.db2.gz QJXPDVCVYDSCEF-KGLIPLIRSA-N 2 0 253.434 1.839 10 0 CDAERP C[C@@H]1CN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)C[C@@H](C)[NH2+]1 ZINC000579834850 324295356 /nfs/dbraw/zinc/29/53/56/324295356.db2.gz XOAGOTZKRAKHLL-MCIONIFRSA-N 2 0 267.417 1.460 10 0 CDAERP C[NH2+][C@H]1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000580071992 324359736 /nfs/dbraw/zinc/35/97/36/324359736.db2.gz IXNNSPCCYKNXKV-STQMWFEESA-N 2 0 253.390 1.071 10 0 CDAERP CC(C)[C@H]([NH3+])CNC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000583320766 325151100 /nfs/dbraw/zinc/15/11/00/325151100.db2.gz MZSOJJPQWXUKCB-CABCVRRESA-N 2 0 290.411 1.237 10 0 CDAERP C[C@H]([NH3+])c1ccc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000583321515 325151903 /nfs/dbraw/zinc/15/19/03/325151903.db2.gz OAHXSSSGBDGVGC-VBNZEHGJSA-N 2 0 287.407 1.778 10 0 CDAERP C[NH+]1CCN(C[C@H](O)C[NH2+]CCC2=CCCCC2)CC1 ZINC000584278856 327211000 /nfs/dbraw/zinc/21/10/00/327211000.db2.gz DNAWIYCLBFQXOC-MRXNPFEDSA-N 2 0 281.444 1.075 10 0 CDAERP C[NH+](C)CCC(=O)N1CCCCC[C@@H]([NH2+]CCCF)C1 ZINC001692330204 1175737649 /nfs/dbraw/zinc/73/76/49/1175737649.db2.gz WMBAXJITCPEBBL-CQSZACIVSA-N 2 0 287.423 1.659 10 0 CDAERP CC(C)CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001731679939 1159326833 /nfs/dbraw/zinc/32/68/33/1159326833.db2.gz CYOFEAGNCLUPHM-JKSUJKDBSA-N 2 0 295.471 1.812 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]1CC[N@@H+]1CCC(C)C)[NH+](C)C ZINC001699637141 1176534834 /nfs/dbraw/zinc/53/48/34/1176534834.db2.gz BWSUMLBCBYXQDN-UONOGXRCSA-N 2 0 269.433 1.563 10 0 CDAERP CCC[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001732201803 1159750420 /nfs/dbraw/zinc/75/04/20/1159750420.db2.gz QNFGYGDPMIGADO-ZIAGYGMSSA-N 2 0 269.433 1.755 10 0 CDAERP CC(C)C[C@H](CNC(=O)[C@H]1CCCC[C@H]1[NH3+])[NH+](C)C ZINC000251369857 1160190714 /nfs/dbraw/zinc/19/07/14/1160190714.db2.gz FSXBPCKJWSPXGV-HZSPNIEDSA-N 2 0 269.433 1.596 10 0 CDAERP O=C(Cc1cn2c(n1)CCCC2)NCC[N@H+]1CC=CCC1 ZINC000651952855 482219793 /nfs/dbraw/zinc/21/97/93/482219793.db2.gz FSPCGFRCNYYWRP-UHFFFAOYSA-N 2 0 288.395 1.140 10 0 CDAERP [NH3+]C1(CC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000398195309 482246383 /nfs/dbraw/zinc/24/63/83/482246383.db2.gz TVQUEOYFXQNISB-OAHLLOKOSA-N 2 0 287.407 1.649 10 0 CDAERP C[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1nccn1C ZINC000396471580 482477497 /nfs/dbraw/zinc/47/74/97/482477497.db2.gz XUOGLHSMMKIVOT-VXGBXAGGSA-N 2 0 250.390 1.801 10 0 CDAERP CC(C)[C@H]1CN(C(=O)[C@H](C[NH3+])c2ccc(F)cc2)CC[NH2+]1 ZINC000669514726 482535140 /nfs/dbraw/zinc/53/51/40/482535140.db2.gz CRAVBULMBQMWAR-HUUCEWRRSA-N 2 0 293.386 1.324 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+]Cc2cn3cccc(F)c3n2)CC1 ZINC000677322268 482627730 /nfs/dbraw/zinc/62/77/30/482627730.db2.gz NMRCCFLFOWKQFH-UHFFFAOYSA-N 2 0 292.358 1.020 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)C1(N(C)C)CC1 ZINC000666428210 482701528 /nfs/dbraw/zinc/70/15/28/482701528.db2.gz KVPFOZKVTCPVIS-GFCCVEGCSA-N 2 0 253.390 1.071 10 0 CDAERP CO[C@@H]1CCC[C@H]([NH2+]C[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000684377400 482780665 /nfs/dbraw/zinc/78/06/65/482780665.db2.gz LKVXQOMRWZIIGQ-HRCADAONSA-N 2 0 283.460 1.417 10 0 CDAERP CC[C@H]([NH2+][C@H](CCC[NH3+])COC)[C@H]1CCCCO1 ZINC000656201239 482791302 /nfs/dbraw/zinc/79/13/02/482791302.db2.gz LKIVUJDZMZIQGZ-HZSPNIEDSA-N 2 0 258.406 1.678 10 0 CDAERP CCO[C@@H]1C[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C[C@H]1C[NH3+] ZINC000405212973 482861281 /nfs/dbraw/zinc/86/12/81/482861281.db2.gz LZITXJDVJGBJQR-UXXRCYHCSA-N 2 0 252.402 1.718 10 0 CDAERP Cc1[nH+]ccc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1Cl ZINC000405390619 482867684 /nfs/dbraw/zinc/86/76/84/482867684.db2.gz MHEZBOGQYHGJRH-WDEREUQCSA-N 2 0 267.760 1.299 10 0 CDAERP COC[C@@H]1CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667621547 482869572 /nfs/dbraw/zinc/86/95/72/482869572.db2.gz NTXYWJIPJUTVSK-CYBMUJFWSA-N 2 0 272.352 1.736 10 0 CDAERP c1cc2cnccc2c(C[NH2+]CCCN2CC[NH2+]CC2)c1 ZINC000666738218 482885456 /nfs/dbraw/zinc/88/54/56/482885456.db2.gz IKMNKEONPTXDRA-UHFFFAOYSA-N 2 0 284.407 1.620 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@H]2CCC[N@H+](C)C2)cc1 ZINC000669402903 482885370 /nfs/dbraw/zinc/88/53/70/482885370.db2.gz ACOPFALBWVEWEH-DOMZBBRYSA-N 2 0 290.411 1.600 10 0 CDAERP C[C@H]1CN(c2cc[nH+]c3c(O)cccc23)CC[N@@H+]1CCO ZINC000684584816 482893661 /nfs/dbraw/zinc/89/36/61/482893661.db2.gz SFGAJQWQTKELHK-LBPRGKRZSA-N 2 0 287.363 1.443 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261748967 482922433 /nfs/dbraw/zinc/92/24/33/482922433.db2.gz MMHKYBUEPYOKSR-LXTVHRRPSA-N 2 0 281.444 1.598 10 0 CDAERP [NH3+]C[C@H](NC(=O)Nc1cnn(-c2cc[nH+]cc2)c1)C1CC1 ZINC000667148552 483110937 /nfs/dbraw/zinc/11/09/37/483110937.db2.gz AFEJNCFFEONOQI-ZDUSSCGKSA-N 2 0 286.339 1.126 10 0 CDAERP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC/C=C/C[NH3+] ZINC000669470441 483186002 /nfs/dbraw/zinc/18/60/02/483186002.db2.gz HGLVGBGZBZTWKB-VBROQKIQSA-N 2 0 282.432 1.455 10 0 CDAERP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000682658201 483319322 /nfs/dbraw/zinc/31/93/22/483319322.db2.gz MNKZJPDCSREEIT-OAHLLOKOSA-N 2 0 296.459 1.598 10 0 CDAERP CN(Cc1cnc2n1CCC2)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000667598755 483345820 /nfs/dbraw/zinc/34/58/20/483345820.db2.gz BCBKKMHPLHWNDW-CYBMUJFWSA-N 2 0 260.385 1.498 10 0 CDAERP c1cc(CN2CC[NH+](C3CCC3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000667632934 483359953 /nfs/dbraw/zinc/35/99/53/483359953.db2.gz LOPRYWZCUQKHPS-UHFFFAOYSA-N 2 0 297.406 1.937 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000136428589 483403278 /nfs/dbraw/zinc/40/32/78/483403278.db2.gz OQDHDDZEIZILDM-VXGBXAGGSA-N 2 0 283.441 1.840 10 0 CDAERP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CO[C@@H](C4CC4)C3)C2)CC1 ZINC000667860306 483463085 /nfs/dbraw/zinc/46/30/85/483463085.db2.gz LUCSTUPTURXEQH-YQQAZPJKSA-N 2 0 293.455 1.312 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000667982660 483510432 /nfs/dbraw/zinc/51/04/32/483510432.db2.gz MSEGOSCPEDQLHR-GJZGRUSLSA-N 2 0 270.417 1.502 10 0 CDAERP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cnn4c3CCC4)C2)CC1 ZINC000668168932 483594508 /nfs/dbraw/zinc/59/45/08/483594508.db2.gz DFFLKDZNYGIBEY-HNNXBMFYSA-N 2 0 288.439 1.993 10 0 CDAERP CC(C)[N@H+](C)CCCC[NH2+]C[C@H](O)C(F)(F)F ZINC000068879843 519616528 /nfs/dbraw/zinc/61/65/28/519616528.db2.gz RKUXYPDMESYAIK-JTQLQIEISA-N 2 0 256.312 1.620 10 0 CDAERP C[C@H](F)CC[N@H+](C)[C@@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001409562365 1160849229 /nfs/dbraw/zinc/84/92/29/1160849229.db2.gz IIHJFDGFGREJOM-STQMWFEESA-N 2 0 287.423 1.655 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CC[C@@H](C[N@@H+]2CCOCC2(C)C)O1 ZINC000052546201 519745359 /nfs/dbraw/zinc/74/53/59/519745359.db2.gz SCAYUORNFNNQSJ-GJZGRUSLSA-N 2 0 284.444 1.890 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)N(CC[NH+](C)C)CC(C)C ZINC000061272755 520163284 /nfs/dbraw/zinc/16/32/84/520163284.db2.gz MCYOBNGZICFQJI-CYBMUJFWSA-N 2 0 257.422 1.421 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)NC[C@H](C(CC)CC)[NH+](C)C ZINC000061273744 520165655 /nfs/dbraw/zinc/16/56/55/520165655.db2.gz NHVFLNVGWZAAFS-TZMCWYRMSA-N 2 0 271.449 1.857 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001733230402 1161160730 /nfs/dbraw/zinc/16/07/30/1161160730.db2.gz ODKORHOBBFKIOY-ZIAGYGMSSA-N 2 0 267.417 1.175 10 0 CDAERP CCCCOCCN1CCC[N@H+](CCCC[NH3+])CC1 ZINC000049261679 520759804 /nfs/dbraw/zinc/75/98/04/520759804.db2.gz XYOPFLWLWPHDIL-UHFFFAOYSA-N 2 0 271.449 1.550 10 0 CDAERP CCC[C@@]1(C(=O)NCCC[NH+]2CCCC2)CC[NH2+]C1 ZINC000062890221 520942862 /nfs/dbraw/zinc/94/28/62/520942862.db2.gz SGYGEUBZPHYYFN-OAHLLOKOSA-N 2 0 267.417 1.368 10 0 CDAERP CC[C@@H](C)[C@H]([NH3+])C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000236922958 1178466834 /nfs/dbraw/zinc/46/68/34/1178466834.db2.gz HZAHKERRMUIAHN-KGLIPLIRSA-N 2 0 271.449 1.985 10 0 CDAERP CCCCC[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001715947196 1179934335 /nfs/dbraw/zinc/93/43/35/1179934335.db2.gz SMHTUPILXXMFHS-CYBMUJFWSA-N 2 0 269.433 1.613 10 0 CDAERP CC[C@@H](C[NH2+]C(C)(C)C)N1CC[NH+](C2CC2)CC1 ZINC000052371266 522543652 /nfs/dbraw/zinc/54/36/52/522543652.db2.gz KQSPGMJZVANKKW-ZDUSSCGKSA-N 2 0 253.434 1.933 10 0 CDAERP CC[C@H](C(=O)N[C@]12CCC[C@@H]1[N@@H+](C(C)C)CC2)[NH+](C)C ZINC001410922168 1161962233 /nfs/dbraw/zinc/96/22/33/1161962233.db2.gz VTSKTKHNMZQZEQ-YCPHGPKFSA-N 2 0 281.444 1.848 10 0 CDAERP C([NH2+]C1CC1)[C@H]1CC[C@H](C[NH+]2CCN(C3CC3)CC2)O1 ZINC000052371401 518398389 /nfs/dbraw/zinc/39/83/89/518398389.db2.gz WDDZUVPHUURWQU-HZPDHXFCSA-N 2 0 279.428 1.066 10 0 CDAERP CC(C)[C@H]1CC[C@@H](O)[C@H]([NH+]2CCN(CC[NH+](C)C)CC2)C1 ZINC000061652690 519825800 /nfs/dbraw/zinc/82/58/00/519825800.db2.gz BRVXNLMYYUILQK-GVDBMIGSSA-N 2 0 297.487 1.351 10 0 CDAERP CC[NH2+]CC1(C[N@H+](CCO)C2CCCC2)CCOCC1 ZINC000052183176 519912487 /nfs/dbraw/zinc/91/24/87/519912487.db2.gz BDMNLEQIUTYXKG-UHFFFAOYSA-N 2 0 284.444 1.630 10 0 CDAERP CC[NH2+]CCC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000061298342 519916389 /nfs/dbraw/zinc/91/63/89/519916389.db2.gz KVUODASAHXJSQK-AWEZNQCLSA-N 2 0 263.385 1.405 10 0 CDAERP CCC[NH2+]C[C@@H]1CCN([C@@H]2C[NH+]3CCC2CC3)C1 ZINC000053012389 519922881 /nfs/dbraw/zinc/92/28/81/519922881.db2.gz NCZXXJZGHRXPBT-DZGCQCFKSA-N 2 0 251.418 1.402 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](CCN(C)C)CC(C)C)O1 ZINC000052503391 519951144 /nfs/dbraw/zinc/95/11/44/519951144.db2.gz DSGAWNFRODSDRU-HOTGVXAUSA-N 2 0 285.476 1.663 10 0 CDAERP CCC[NH2+]Cc1cn(CC[N@H+](CCOC)[C@@H](C)CC)nn1 ZINC000052547343 519962792 /nfs/dbraw/zinc/96/27/92/519962792.db2.gz USZSUSNLXAHUGD-AWEZNQCLSA-N 2 0 297.447 1.525 10 0 CDAERP CC[NH2+]Cc1ccnc(N2CCC[C@H]2C[NH+](C)C)c1 ZINC000061654263 520011410 /nfs/dbraw/zinc/01/14/10/520011410.db2.gz VGRAEEJENFVREQ-AWEZNQCLSA-N 2 0 262.401 1.722 10 0 CDAERP CC[NH2+]Cc1cn(CC[N@H+](C)[C@H](C)C(C)C)nn1 ZINC000052478526 520012399 /nfs/dbraw/zinc/01/23/99/520012399.db2.gz AJKXGOZJKYMLQE-GFCCVEGCSA-N 2 0 253.394 1.364 10 0 CDAERP CC[NH2+]Cc1cn(CC[N@H+]2C[C@H](C)C[C@H](C)C2)nn1 ZINC000052420712 520013740 /nfs/dbraw/zinc/01/37/40/520013740.db2.gz UQOYXCBDELXESH-BETUJISGSA-N 2 0 265.405 1.366 10 0 CDAERP CC1(C)NC(=O)CC[C@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000338599510 520597296 /nfs/dbraw/zinc/59/72/96/520597296.db2.gz UPZIZVJXEYIDCL-CYBMUJFWSA-N 2 0 267.417 1.509 10 0 CDAERP CC[NH+](CC)CCc1nc(C)c(CC[NH3+])c(C)n1 ZINC000054836607 520710905 /nfs/dbraw/zinc/71/09/05/520710905.db2.gz OVLUQXRYJDQWGY-UHFFFAOYSA-N 2 0 250.390 1.479 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN([C@@H](c2ccncc2)[C@@H](C)[NH3+])C1 ZINC000062977305 520847965 /nfs/dbraw/zinc/84/79/65/520847965.db2.gz IEPSMMSIRQJYNY-FVQBIDKESA-N 2 0 276.428 1.886 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000055129416 521555392 /nfs/dbraw/zinc/55/53/92/521555392.db2.gz DHAQEWGRIMSBOH-KCQAQPDRSA-N 2 0 281.444 1.693 10 0 CDAERP CCC(CC)[C@H](CNC(=O)[C@@H]([NH3+])C(C)C)[NH+]1CCCC1 ZINC000236690084 521617469 /nfs/dbraw/zinc/61/74/69/521617469.db2.gz FDRLPQBXEUQWES-GJZGRUSLSA-N 2 0 283.460 1.987 10 0 CDAERP CCC([NH3+])(CC)CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000236790538 521649927 /nfs/dbraw/zinc/64/99/27/521649927.db2.gz VYPYQZVFMFYWQQ-AVGNSLFASA-N 2 0 267.417 1.541 10 0 CDAERP CN(CC[NH+](C)C)[C@H](C[NH3+])c1cccc2cccnc21 ZINC000069502831 521748125 /nfs/dbraw/zinc/74/81/25/521748125.db2.gz DBVFZFPXAZFEFF-OAHLLOKOSA-N 2 0 272.396 1.728 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)C[NH2+]C1CCCC1 ZINC000061645129 521828654 /nfs/dbraw/zinc/82/86/54/521828654.db2.gz NDCQVGWEOYNUSZ-ZDUSSCGKSA-N 2 0 253.390 1.071 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000061642173 521843658 /nfs/dbraw/zinc/84/36/58/521843658.db2.gz JTNOWEFPBWTWOK-GJZGRUSLSA-N 2 0 265.376 1.852 10 0 CDAERP C[NH+](C)Cc1ccc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)cn1 ZINC000339270129 521895268 /nfs/dbraw/zinc/89/52/68/521895268.db2.gz GGERSRLSEGMWIQ-OAHLLOKOSA-N 2 0 290.411 1.309 10 0 CDAERP C[NH2+]C(C)(C)C(=O)N(CC[NH+](C)C)Cc1ccc(C)o1 ZINC000061317693 521933437 /nfs/dbraw/zinc/93/34/37/521933437.db2.gz HPPBTKQMHDAGIU-UHFFFAOYSA-N 2 0 281.400 1.476 10 0 CDAERP CC[C@H](C)[C@H](C[NH3+])N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062978563 521941405 /nfs/dbraw/zinc/94/14/05/521941405.db2.gz SKJWKTBMPXDXFH-KKUMJFAQSA-N 2 0 253.434 1.920 10 0 CDAERP C[NH2+]C[C@@H]1CCN(C[C@@H](c2cccc(OC)c2)[NH+](C)C)C1 ZINC000053012021 522054721 /nfs/dbraw/zinc/05/47/21/522054721.db2.gz NECBHVKAQNAQNG-YOEHRIQHSA-N 2 0 291.439 1.839 10 0 CDAERP C[NH2+]C[C@@H]1CC[C@@H](CN2CCC([NH+]3CCCCC3)CC2)O1 ZINC000052484242 522058765 /nfs/dbraw/zinc/05/87/65/522058765.db2.gz BNQULBFAFQRFQH-IRXDYDNUSA-N 2 0 295.471 1.704 10 0 CDAERP C[NH+](C)[C@H]1CCN(CC2(C[NH2+]C3CC3)CCCC2)C1 ZINC000062969950 522105752 /nfs/dbraw/zinc/10/57/52/522105752.db2.gz DDHVSCJCJFJJSF-HNNXBMFYSA-N 2 0 265.445 1.935 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C[C@@H](O)c2ccc(C[NH3+])cc2)CC1 ZINC000055064277 522120255 /nfs/dbraw/zinc/12/02/55/522120255.db2.gz MPNOWBSCKLPWOO-RHSMWYFYSA-N 2 0 291.439 1.595 10 0 CDAERP CC[C@@H](C[NH2+]C1CC1)N(C)C1CC[NH+](CC)CC1 ZINC000052543961 522546036 /nfs/dbraw/zinc/54/60/36/522546036.db2.gz ICRGZWFBIAZMSK-AWEZNQCLSA-N 2 0 253.434 1.933 10 0 CDAERP CN(CC[NH+]1CCCC1)C[C@@H]([NH3+])Cc1ccccc1 ZINC000063054394 522829487 /nfs/dbraw/zinc/82/94/87/522829487.db2.gz XBFHHOVEHQKIPY-INIZCTEOSA-N 2 0 261.413 1.584 10 0 CDAERP COCCC[N@H+](C)[C@@H]1CCC[NH+](CCCOC)CC1 ZINC000156956587 523231492 /nfs/dbraw/zinc/23/14/92/523231492.db2.gz MLGZOCUYWDOGHB-OAHLLOKOSA-N 2 0 272.433 1.846 10 0 CDAERP COCCC[N@H+](CCCC[NH2+]C1CC1)CCOC ZINC000052543180 523242478 /nfs/dbraw/zinc/24/24/78/523242478.db2.gz AYTQWIINTIBMHI-UHFFFAOYSA-N 2 0 258.406 1.504 10 0 CDAERP CCn1cc(C[N@H+](CCC[NH3+])C2CCCC2)cn1 ZINC000050539173 523366786 /nfs/dbraw/zinc/36/67/86/523366786.db2.gz RUODYVNJKYSZPQ-UHFFFAOYSA-N 2 0 250.390 1.996 10 0 CDAERP CN(C(=O)C[C@H]1CCC[C@@H]([NH3+])C1)C1CC[NH+](C)CC1 ZINC000055123285 523846853 /nfs/dbraw/zinc/84/68/53/523846853.db2.gz KIRYMIBFQFYHGP-QWHCGFSZSA-N 2 0 267.417 1.447 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000055131989 523947755 /nfs/dbraw/zinc/94/77/55/523947755.db2.gz PZBZAQIIGOZXTE-KKUMJFAQSA-N 2 0 281.444 1.837 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C[C@H](O)c2ccc(C[NH3+])cc2)CC1 ZINC000055064275 523955293 /nfs/dbraw/zinc/95/52/93/523955293.db2.gz MPNOWBSCKLPWOO-YOEHRIQHSA-N 2 0 291.439 1.595 10 0 CDAERP CC[C@H](C)[NH+]1CCN(Cc2[nH+]c(NN)ccc2Cl)CC1 ZINC000061639125 523956519 /nfs/dbraw/zinc/95/65/19/523956519.db2.gz ZYAYTAPLZOBXFK-NSHDSACASA-N 2 0 297.834 1.937 10 0 CDAERP C[C@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062985513 524204591 /nfs/dbraw/zinc/20/45/91/524204591.db2.gz XWSDVMWXFMMJOX-ZQDZILKHSA-N 2 0 279.428 1.447 10 0 CDAERP C[C@@H]1CCC[C@@H](C(=O)NCC[NH+]2CCCCC2)[C@@H]1[NH3+] ZINC000055138370 524267680 /nfs/dbraw/zinc/26/76/80/524267680.db2.gz POTGHCPSJSMBIB-MGPQQGTHSA-N 2 0 267.417 1.352 10 0 CDAERP C[C@H]1CC[C@H](C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)C[C@@H]1[NH3+] ZINC000055131512 524377330 /nfs/dbraw/zinc/37/73/30/524377330.db2.gz PQZKVEVZDUIECE-FQUUOJAGSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@@H](CC[NH+](C)C)NC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000055140839 524467431 /nfs/dbraw/zinc/46/74/31/524467431.db2.gz OQTJOKYTFGWCAM-XQQFMLRXSA-N 2 0 255.406 1.350 10 0 CDAERP C[C@H](C[NH2+]C1CCCC1)N1CCN(CC[NH+](C)C)CC1 ZINC000061655266 524482980 /nfs/dbraw/zinc/48/29/80/524482980.db2.gz HLCANTHHPCSPEO-OAHLLOKOSA-N 2 0 282.476 1.086 10 0 CDAERP C[C@@H]1CC[C@@H](C(=O)N(C)C2CC[NH+](C)CC2)C[C@@H]1[NH3+] ZINC000055123245 524553371 /nfs/dbraw/zinc/55/33/71/524553371.db2.gz DOVKLEFTIMNWRZ-BZPMIXESSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@@H]1CC[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2C)C[C@@H]1[NH3+] ZINC000055138624 524560000 /nfs/dbraw/zinc/56/00/00/524560000.db2.gz LCNOIMYVPMIEPW-MQYQWHSLSA-N 2 0 267.417 1.350 10 0 CDAERP CCC[N@H+](C)CC(=O)NCC1=CC[NH+](CCC)CC1 ZINC001677623998 1174379815 /nfs/dbraw/zinc/37/98/15/1174379815.db2.gz JHYQPMGFGVMNPS-UHFFFAOYSA-N 2 0 267.417 1.487 10 0 CDAERP C[C@H]1C[C@@H]([NH3+])CC[C@@H]1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000055132671 524792007 /nfs/dbraw/zinc/79/20/07/524792007.db2.gz SNQJDCTWSLRDDY-DZKIICNBSA-N 2 0 293.455 1.837 10 0 CDAERP Cc1ccccc1[C@H]([NH3+])CN1CCN(CC[NH+](C)C)CC1 ZINC000061643883 525424204 /nfs/dbraw/zinc/42/42/04/525424204.db2.gz HHUIRGIGSUAOIN-QGZVFWFLSA-N 2 0 290.455 1.174 10 0 CDAERP C[C@@H](O)C[N@H+](C)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052198283 525781658 /nfs/dbraw/zinc/78/16/58/525781658.db2.gz YVGLWNGOFKXRNE-CYBMUJFWSA-N 2 0 272.433 1.484 10 0 CDAERP NC(=[NH2+])c1cc(Cl)ccc1N1CC[NH+](C2CC2)CC1 ZINC000052860125 526820441 /nfs/dbraw/zinc/82/04/41/526820441.db2.gz KXJUQYDQACSGQF-UHFFFAOYSA-N 2 0 278.787 1.908 10 0 CDAERP [NH3+]CCCC[N@@H+]1CCCN(CCOCC(F)(F)F)CC1 ZINC000049310717 527175347 /nfs/dbraw/zinc/17/53/47/527175347.db2.gz LVMVGLYMEADJIG-UHFFFAOYSA-N 2 0 297.365 1.312 10 0 CDAERP OCC[C@@H]1CCCC[N@@H+]1CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181059 527561582 /nfs/dbraw/zinc/56/15/82/527561582.db2.gz YWZFWWMSLPRQEP-INIZCTEOSA-N 2 0 296.455 1.772 10 0 CDAERP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+]C(C)(C)C ZINC000062734898 527675910 /nfs/dbraw/zinc/67/59/10/527675910.db2.gz WGLPSPZKQIADFZ-UHFFFAOYSA-N 2 0 293.459 1.759 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCN1CCC[C@@H](C)C1 ZINC000422860952 536595019 /nfs/dbraw/zinc/59/50/19/536595019.db2.gz NHVYVOBXOBPVBH-ZIAGYGMSSA-N 2 0 257.422 1.062 10 0 CDAERP COC(=O)[C@H](C)C[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000230021852 536608160 /nfs/dbraw/zinc/60/81/60/536608160.db2.gz RNXVOHUHRLPLFF-CYBMUJFWSA-N 2 0 264.369 1.647 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000422741821 536850705 /nfs/dbraw/zinc/85/07/05/536850705.db2.gz PDARSBQNGMIMBA-GJZGRUSLSA-N 3 0 271.449 1.450 10 0 CDAERP C[NH+](C)CC(C)(C)CNC(=S)NC[C@@H]1CCC[N@@H+]1C ZINC000727081388 574548865 /nfs/dbraw/zinc/54/88/65/574548865.db2.gz DYQPZYIYTGMPEY-LBPRGKRZSA-N 2 0 286.489 1.133 10 0 CDAERP CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001688889277 1175053530 /nfs/dbraw/zinc/05/35/30/1175053530.db2.gz XMLQOMPNYBUQEN-KGLIPLIRSA-N 2 0 267.417 1.271 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCCCC[C@@H]([NH2+]CCCO)C1 ZINC001689271006 1175132901 /nfs/dbraw/zinc/13/29/01/1175132901.db2.gz ZYRBZUCUOIHJGS-OAHLLOKOSA-N 2 0 299.459 1.071 10 0 CDAERP CC(C)[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)N1CCOCC1 ZINC000925514592 617421295 /nfs/dbraw/zinc/42/12/95/617421295.db2.gz AGSCYULRMAQGNR-ZNMIVQPWSA-N 2 0 281.444 1.203 10 0 CDAERP COCCOCCC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925518528 617428247 /nfs/dbraw/zinc/42/82/47/617428247.db2.gz JCEUSLMTDKNXDO-OLZOCXBDSA-N 2 0 258.406 1.535 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCCN1CC(F)F ZINC000926749597 617498273 /nfs/dbraw/zinc/49/82/73/617498273.db2.gz ARTLPDVYWXOULI-WORDMNGFSA-N 2 0 287.398 1.646 10 0 CDAERP O[C@H](CN[C@H]1CC[NH2+]C[C@H]1C1CCCC1)C[NH+]1CCCC1 ZINC000925614406 617559850 /nfs/dbraw/zinc/55/98/50/617559850.db2.gz WTICSEUSZNJNKQ-IKGGRYGDSA-N 2 0 295.471 1.201 10 0 CDAERP CC(C)C(=O)NCCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925626459 617573132 /nfs/dbraw/zinc/57/31/32/617573132.db2.gz QGLNOLSSATUQRQ-ZDUSSCGKSA-N 2 0 267.417 1.413 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@H](c1ccccn1)C1CC1 ZINC000925822796 617795624 /nfs/dbraw/zinc/79/56/24/617795624.db2.gz OMEMDOXSKNQUNG-HIFRSBDPSA-N 2 0 263.385 1.876 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000926451369 617809820 /nfs/dbraw/zinc/80/98/20/617809820.db2.gz ZCNNHNYZHJMHJU-GFPRJFBKSA-N 2 0 260.385 1.197 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@]1(C(F)(F)F)CCCN1 ZINC000925856485 617895919 /nfs/dbraw/zinc/89/59/19/617895919.db2.gz QZSGYYOWKSAFAA-YFKTTZPYSA-N 2 0 295.349 1.013 10 0 CDAERP C(N[C@H]1CC[NH2+]C12CCC2)[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000925651364 617595190 /nfs/dbraw/zinc/59/51/90/617595190.db2.gz BFSBBGMYZYATIQ-GJZGRUSLSA-N 2 0 263.429 1.878 10 0 CDAERP CC1(C)C[C@@H]([NH2+][C@@H](CO)C[C@@H]2CCCO2)C[C@@H]([NH3+])C1 ZINC000925767857 617619024 /nfs/dbraw/zinc/61/90/24/617619024.db2.gz QRFDGMFTEBPPMQ-RQJABVFESA-N 2 0 270.417 1.412 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H](NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000925778143 617677123 /nfs/dbraw/zinc/67/71/23/617677123.db2.gz RNJFOYUYASMQLS-IJLUTSLNSA-N 2 0 275.387 1.727 10 0 CDAERP C[C@H](CC1CCOCC1)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925808723 617749411 /nfs/dbraw/zinc/74/94/11/617749411.db2.gz DTJAVSOVQBFAHM-CYBMUJFWSA-N 2 0 269.433 1.204 10 0 CDAERP COC1(OC)CC[C@H]1[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000924606367 617781167 /nfs/dbraw/zinc/78/11/67/617781167.db2.gz LDYIEBLARNQXGL-OAHLLOKOSA-N 2 0 278.396 1.989 10 0 CDAERP C[C@H](N[C@H](CC[NH+](C)C)c1cccnc1)[C@H]1CCC[NH2+]1 ZINC000925825584 617808121 /nfs/dbraw/zinc/80/81/21/617808121.db2.gz AQYBAKVMSFPEPD-NUEKZKHPSA-N 2 0 276.428 1.805 10 0 CDAERP C[C@H]1COCC[C@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925846914 617881475 /nfs/dbraw/zinc/88/14/75/617881475.db2.gz PVNNKOFRFMFUNF-LSDHHAIUSA-N 2 0 269.433 1.077 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH2+]CCCCCN2CC[NH2+]CC2)[C@H](C)C1 ZINC000925846344 617881792 /nfs/dbraw/zinc/88/17/92/617881792.db2.gz SBKCCNKHBQDPQY-IAGOWNOFSA-N 3 0 296.503 1.382 10 0 CDAERP C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)[C@H]1CCCOC1 ZINC000925859648 617898979 /nfs/dbraw/zinc/89/89/79/617898979.db2.gz XISSCCUNWXMWCA-MELADBBJSA-N 2 0 296.411 1.076 10 0 CDAERP CC1(C)[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)[C@H]2CCCO[C@H]21 ZINC000925881521 617965784 /nfs/dbraw/zinc/96/57/84/617965784.db2.gz CFWOJOISAMIRDA-XVIXHAIJSA-N 2 0 252.402 1.907 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccnc(-c2ccccn2)n1 ZINC000925762744 618130721 /nfs/dbraw/zinc/13/07/21/618130721.db2.gz NSQOVILWEDCPHV-JSGCOSHPSA-N 2 0 283.379 1.756 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000924988471 618548773 /nfs/dbraw/zinc/54/87/73/618548773.db2.gz BCJQNDRXAOBXOA-IXDOHACOSA-N 2 0 294.487 1.229 10 0 CDAERP C[C@@H]1[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)CO[C@H]1C ZINC000925024981 618800271 /nfs/dbraw/zinc/80/02/71/618800271.db2.gz YWMOOZYDFAEZOO-XQLPTFJDSA-N 2 0 270.417 1.236 10 0 CDAERP C[C@@H]1OC[C@H]([NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)[C@@H]1C ZINC000925042089 618826461 /nfs/dbraw/zinc/82/64/61/618826461.db2.gz RRXJRUWHGFNHCT-HOSILWTGSA-N 2 0 281.444 1.168 10 0 CDAERP C[C@H]1[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[N@@H+]1C ZINC000928437950 619080103 /nfs/dbraw/zinc/08/01/03/619080103.db2.gz LRAYXMIXSMHXJR-JSGCOSHPSA-N 2 0 276.384 1.117 10 0 CDAERP CO[C@]1(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)CCOC1 ZINC000895557463 619726428 /nfs/dbraw/zinc/72/64/28/619726428.db2.gz QYEBDFWUTVMFCL-HOCLYGCPSA-N 2 0 291.395 1.398 10 0 CDAERP C[C@H](NC(=O)[C@@]12CC[N@H+](C1)CCC2)C(C)(C)C[NH+](C)C ZINC000896656702 620185720 /nfs/dbraw/zinc/18/57/20/620185720.db2.gz FGGYNAIVXRBKRF-BBRMVZONSA-N 2 0 281.444 1.565 10 0 CDAERP C[N@H+](CCCCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)C1CC1 ZINC000909555142 620287591 /nfs/dbraw/zinc/28/75/91/620287591.db2.gz IBJDTFJSQWIDOO-JKSUJKDBSA-N 2 0 293.455 1.994 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1[C@@H](C)COC[C@H]1C ZINC000925241213 620610185 /nfs/dbraw/zinc/61/01/85/620610185.db2.gz NTTCUPJBIJWGCY-BARDWOONSA-N 2 0 272.433 1.604 10 0 CDAERP C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@]34CC[NH+](C3)CCC4)[C@@H]2C1 ZINC000898013173 621284704 /nfs/dbraw/zinc/28/47/04/621284704.db2.gz RMJIIJOZCVLKBM-LZWOXQAQSA-N 2 0 277.412 1.025 10 0 CDAERP CC(C)[C@@H]1COCC[C@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000924629678 621603793 /nfs/dbraw/zinc/60/37/93/621603793.db2.gz RNNKVBYSCALRQW-JKSUJKDBSA-N 2 0 297.487 1.663 10 0 CDAERP O[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000250665485 622089818 /nfs/dbraw/zinc/08/98/18/622089818.db2.gz RQWMOJGIYTUANL-AIEDFZFUSA-N 2 0 252.402 1.800 10 0 CDAERP C[NH+](C)CCNC(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000899920604 622540066 /nfs/dbraw/zinc/54/00/66/622540066.db2.gz QAPPZWCFBXXHNI-UHFFFAOYSA-N 2 0 274.368 1.582 10 0 CDAERP CCC[NH+](CCC)CCCNC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900550431 623191682 /nfs/dbraw/zinc/19/16/82/623191682.db2.gz YUHSSHAUQKLLMQ-GDBMZVCRSA-N 2 0 299.459 1.070 10 0 CDAERP CCC(CC)C(=O)N1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903431604 625989943 /nfs/dbraw/zinc/98/99/43/625989943.db2.gz RJGNZHZJDZAJPI-HIFRSBDPSA-N 2 0 281.444 1.694 10 0 CDAERP CCCC(=O)NC[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903432632 625990421 /nfs/dbraw/zinc/99/04/21/625990421.db2.gz HRTBVBFDMJPJDA-ILXRZTDVSA-N 2 0 281.444 1.470 10 0 CDAERP C[C@H](CS(C)(=O)=O)[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)C1CC1 ZINC000903437390 625991611 /nfs/dbraw/zinc/99/16/11/625991611.db2.gz HQOJWDSSRSWYCN-UTUOFQBUSA-N 2 0 274.430 1.011 10 0 CDAERP COCCCOC1CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903440164 625992479 /nfs/dbraw/zinc/99/24/79/625992479.db2.gz VHKIZFVOHKPFCY-KGLIPLIRSA-N 2 0 270.417 1.359 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000903461071 625995675 /nfs/dbraw/zinc/99/56/75/625995675.db2.gz OJZGVTURDIQHOI-CWVYHPPDSA-N 3 0 281.444 1.060 10 0 CDAERP CC(C)[NH+]1CCC(N(C)C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903442481 625997029 /nfs/dbraw/zinc/99/70/29/625997029.db2.gz SECFCDXFVPTJRR-KGLIPLIRSA-N 2 0 253.434 1.647 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000903445022 625998484 /nfs/dbraw/zinc/99/84/84/625998484.db2.gz WZTXEYIJGKZQPI-OWCLPIDISA-N 3 0 265.445 1.792 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)C1 ZINC000903453050 626001068 /nfs/dbraw/zinc/00/10/68/626001068.db2.gz XLOFXTPGKBXCKZ-AEGPPILISA-N 3 0 251.418 1.435 10 0 CDAERP COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903456039 626002265 /nfs/dbraw/zinc/00/22/65/626002265.db2.gz CVKZKKDVVCLWKE-HTOAHKCRSA-N 2 0 266.385 1.387 10 0 CDAERP C[C@@H]1C[N@H+](Cc2ccc(-n3ccnc3)nc2)C[C@H]1CC[NH3+] ZINC000903500041 626009103 /nfs/dbraw/zinc/00/91/03/626009103.db2.gz RRAGZEHYDOTCKO-UKRRQHHQSA-N 2 0 285.395 1.684 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@@H](C)c1ccncc1)C2 ZINC000903492415 626011192 /nfs/dbraw/zinc/01/11/92/626011192.db2.gz CHQYQCLAVNMJNW-ZIEJDFEHSA-N 2 0 289.379 1.355 10 0 CDAERP C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903494958 626011679 /nfs/dbraw/zinc/01/16/79/626011679.db2.gz SKLUEYAPVGVFJI-DGADGQDISA-N 2 0 295.471 1.796 10 0 CDAERP C[C@]1([C@H]2CCC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)COC(=O)N1 ZINC000903562135 626019734 /nfs/dbraw/zinc/01/97/34/626019734.db2.gz ZELHGABZWAYDKA-OFQRWUPVSA-N 2 0 295.427 1.587 10 0 CDAERP C[C@@]1(C2CC[NH+](CCC3CC[NH2+]CC3)CC2)COC(=O)N1 ZINC000903563428 626020421 /nfs/dbraw/zinc/02/04/21/626020421.db2.gz CLSLIDPNSFKAOF-INIZCTEOSA-N 2 0 295.427 1.587 10 0 CDAERP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000903778370 626090991 /nfs/dbraw/zinc/09/09/91/626090991.db2.gz LYTZLBLTTFWABU-QPSCCSFWSA-N 2 0 282.453 1.440 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)C[C@H]2CCCOC2)cnn1C ZINC000903890509 626124698 /nfs/dbraw/zinc/12/46/98/626124698.db2.gz DCXQKVLBTLPBED-CABCVRRESA-N 2 0 294.443 1.204 10 0 CDAERP CCCC[N@H+](C)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903872866 626127124 /nfs/dbraw/zinc/12/71/24/626127124.db2.gz KOYRYMUFMKVADE-ZDUSSCGKSA-N 2 0 252.406 1.578 10 0 CDAERP O=C(NC1CC1)[C@@H]1CCC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903883305 626131955 /nfs/dbraw/zinc/13/19/55/626131955.db2.gz HHZCAOPLDLLSDO-FBAPMCOASA-N 2 0 277.412 1.260 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@@H+](C)[C@@H](C)C2CC2)cnn1C ZINC000903884187 626132147 /nfs/dbraw/zinc/13/21/47/626132147.db2.gz UKYFBQUICKCEGJ-AAEUAGOBSA-N 2 0 264.417 1.576 10 0 CDAERP COC(=O)[C@H]1C[C@@H](C)CC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903915629 626137365 /nfs/dbraw/zinc/13/73/65/626137365.db2.gz OZZHSAPEEFWDFW-LUGNKYPNSA-N 2 0 280.412 1.791 10 0 CDAERP C[C@@H]([N@H+](C)Cc1cnnn1[C@H]1CCC[NH2+]C1)C1(C)CC1 ZINC000903898897 626137656 /nfs/dbraw/zinc/13/76/56/626137656.db2.gz PBIFYOZDFXPYES-OLZOCXBDSA-N 2 0 277.416 1.823 10 0 CDAERP COc1ccccc1[C@H]1C[NH2+]CCN1C[C@H]([NH3+])CC(F)F ZINC000903906608 626141434 /nfs/dbraw/zinc/14/14/34/626141434.db2.gz WLOSGNYZGNGVHP-DGCLKSJQSA-N 2 0 299.365 1.624 10 0 CDAERP C[C@@H]1CC2(CCC2)C[N@@H+]1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903918428 626146040 /nfs/dbraw/zinc/14/60/40/626146040.db2.gz ZJACKCUZFDNFGH-KGLIPLIRSA-N 2 0 289.427 1.967 10 0 CDAERP C[C@]1(C[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC[NH2+]C1 ZINC000903919566 626146588 /nfs/dbraw/zinc/14/65/88/626146588.db2.gz OATAPIIFGBIYQV-DKUMPPAJSA-N 3 0 251.418 1.496 10 0 CDAERP Cc1noc([C@@H](C)[N@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000903931155 626151337 /nfs/dbraw/zinc/15/13/37/626151337.db2.gz AAHKODLFAIBQGW-NSNUZPRRSA-N 2 0 264.373 1.901 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[NH2+]Cc2cccc(N)c2)cnn1C ZINC000903933865 626152865 /nfs/dbraw/zinc/15/28/65/626152865.db2.gz XHEDILRRLGGLPN-AWEZNQCLSA-N 2 0 287.411 1.218 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)cnn1C ZINC000903933222 626153018 /nfs/dbraw/zinc/15/30/18/626153018.db2.gz MKADGKKPRBLYLX-VNHYZAJKSA-N 2 0 294.443 1.345 10 0 CDAERP [NH3+]C1(C[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCCC1 ZINC000903917004 626157282 /nfs/dbraw/zinc/15/72/82/626157282.db2.gz JHBGWAWDHTWJIP-AGUYFDCRSA-N 3 0 251.418 1.768 10 0 CDAERP COC(=O)N1CCC([NH2+]C[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000903958336 626158343 /nfs/dbraw/zinc/15/83/43/626158343.db2.gz XXOFWZPPNYKEIG-SNVBAGLBSA-N 2 0 291.342 1.052 10 0 CDAERP COC(=O)C(C)(C)CC[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903956158 626166935 /nfs/dbraw/zinc/16/69/35/626166935.db2.gz IFCHNVHUVAFLDN-JTQLQIEISA-N 2 0 278.343 1.410 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1NC1CC[NH+](CCC(F)(F)F)CC1 ZINC000903964089 626171031 /nfs/dbraw/zinc/17/10/31/626171031.db2.gz LFVBJUUHNXPWOD-ZYHUDNBSSA-N 2 0 279.350 1.601 10 0 CDAERP Cc1nc2ccccn2c1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903964530 626171490 /nfs/dbraw/zinc/17/14/90/626171490.db2.gz KQDXRTJBXNBOFR-YPMHNXCESA-N 2 0 258.369 1.588 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000903968700 626172817 /nfs/dbraw/zinc/17/28/17/626172817.db2.gz ZKQCELGANHBGLF-PWSUYJOCSA-N 2 0 291.420 1.545 10 0 CDAERP CC1(C)C[NH2+]C[C@@H]1c1nc(C2([NH3+])CCCC2)no1 ZINC000905306292 626757118 /nfs/dbraw/zinc/75/71/18/626757118.db2.gz YIWZUZXNMAHQNA-SECBINFHSA-N 2 0 250.346 1.511 10 0 CDAERP CC1CC[NH+](CC(=O)N2CC[C@@H]([NH+]3CCC3)C2)CC1 ZINC000912913144 630281148 /nfs/dbraw/zinc/28/11/48/630281148.db2.gz HOUMKTMYXPLDQM-CQSZACIVSA-N 2 0 265.401 1.025 10 0 CDAERP C[C@@H](C(=O)N1CC[C@@H]([NH+]2CCC2)C1)[NH+]1CCCCCC1 ZINC000912915663 630283959 /nfs/dbraw/zinc/28/39/59/630283959.db2.gz IBVWJQPVLFJLGT-LSDHHAIUSA-N 2 0 279.428 1.558 10 0 CDAERP CCCCCC[N@H+](C)CC(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912918268 630287486 /nfs/dbraw/zinc/28/74/86/630287486.db2.gz WSBPVMRXADCGKE-HNNXBMFYSA-N 2 0 281.444 1.805 10 0 CDAERP C([C@@H]1CCC2(COC2)O1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000929685347 630706827 /nfs/dbraw/zinc/70/68/27/630706827.db2.gz ADLBHYGIUSPYJP-HOTGVXAUSA-N 2 0 294.439 1.885 10 0 CDAERP CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC000913990452 630942885 /nfs/dbraw/zinc/94/28/85/630942885.db2.gz MAQSVUXQBNQMRO-DZGCQCFKSA-N 2 0 296.459 1.499 10 0 CDAERP CCN(CC)C(=O)C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925476825 632719082 /nfs/dbraw/zinc/71/90/82/632719082.db2.gz YOFPUYYZANPBGZ-NWDGAFQWSA-N 2 0 255.406 1.350 10 0 CDAERP O=C1OCCN1CCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925479092 632743932 /nfs/dbraw/zinc/74/39/32/632743932.db2.gz QGDBALZMBRBBLA-LBPRGKRZSA-N 2 0 267.373 1.093 10 0 CDAERP CC(C)[NH+](CCCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC000921150712 632883319 /nfs/dbraw/zinc/88/33/19/632883319.db2.gz QLWOSQBLVBIRBW-CABCVRRESA-N 2 0 298.475 1.887 10 0 CDAERP COCCC[N@H+](C)CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001690983349 1158513843 /nfs/dbraw/zinc/51/38/43/1158513843.db2.gz GLPRQESRMWIDKW-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CCOCC[N@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001690988684 1158516151 /nfs/dbraw/zinc/51/61/51/1158516151.db2.gz NWVJTYDAPCKWJZ-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP C[N@H+](CC(=O)NC/C=C/C[NH2+]CC1CCCC1)C1CCC1 ZINC001268550087 1159968477 /nfs/dbraw/zinc/96/84/77/1159968477.db2.gz MEPPCXIYKCDHEV-SNAWJCMRSA-N 2 0 293.455 1.923 10 0 CDAERP C[C@@H](F)CC[NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001268574153 1159979219 /nfs/dbraw/zinc/97/92/19/1159979219.db2.gz SNJINOYSIGKMKV-ZRUQZJFASA-N 2 0 299.434 1.871 10 0 CDAERP CCC[NH2+]C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001269084049 1160029114 /nfs/dbraw/zinc/02/91/14/1160029114.db2.gz JCACVVAWNFBCLD-OAHLLOKOSA-N 2 0 293.455 1.757 10 0 CDAERP Cc1c(C(=O)N2CCC[C@H]2C[NH+](C)C)ccc2c[nH+]cn21 ZINC001771732561 1160350646 /nfs/dbraw/zinc/35/06/46/1160350646.db2.gz PDTGOJROWLMIQE-AWEZNQCLSA-N 2 0 286.379 1.809 10 0 CDAERP CC1(C)[C@@H]([NH3+])c2ccccc2N1C(=O)c1ccnc(C[NH3+])c1 ZINC000867988970 1164894160 /nfs/dbraw/zinc/89/41/60/1164894160.db2.gz YOTPKIDGVLINLF-HNNXBMFYSA-N 2 0 296.374 1.979 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000870852494 1165222084 /nfs/dbraw/zinc/22/20/84/1165222084.db2.gz GUUYQJVLDJCIHC-DSJMHWKBSA-N 2 0 277.412 1.104 10 0 CDAERP CN1Cc2ccccc2[C@@H]1CNC(=O)CC1CC[NH2+]CC1 ZINC000870979369 1165246179 /nfs/dbraw/zinc/24/61/79/1165246179.db2.gz JHTGTOOPTGNNLV-INIZCTEOSA-N 2 0 287.407 1.679 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC001617913224 1165613842 /nfs/dbraw/zinc/61/38/42/1165613842.db2.gz MIFFRIPXMHHNCF-UONOGXRCSA-N 2 0 269.433 1.374 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC001618608660 1165638239 /nfs/dbraw/zinc/63/82/39/1165638239.db2.gz QWOWLVUBSXKHER-OLZOCXBDSA-N 2 0 255.406 1.032 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@H](C)CC[NH+](C)C ZINC001634355430 1166492677 /nfs/dbraw/zinc/49/26/77/1166492677.db2.gz GTQQCTVSWGGOSB-CYBMUJFWSA-N 2 0 257.422 1.374 10 0 CDAERP CCCC[NH2+]C/C=C/CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001274612159 1166639656 /nfs/dbraw/zinc/63/96/56/1166639656.db2.gz YKAFBSRFNFWSRW-JRIJJQDJSA-N 2 0 281.444 1.921 10 0 CDAERP CC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001640948993 1167062955 /nfs/dbraw/zinc/06/29/55/1167062955.db2.gz WRVLFQSWVLQTIX-MGPQQGTHSA-N 2 0 267.417 1.412 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NC23CC[NH+](CC2)C3)C1 ZINC001643505675 1167254997 /nfs/dbraw/zinc/25/49/97/1167254997.db2.gz YSGBGRHXBUNVQD-OLZOCXBDSA-N 2 0 265.401 1.071 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001565831515 1168178691 /nfs/dbraw/zinc/17/86/91/1168178691.db2.gz IKPRUWYLXHAKRK-HZPDHXFCSA-N 2 0 293.455 1.827 10 0 CDAERP CCC[NH2+]C[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001567131056 1168586041 /nfs/dbraw/zinc/58/60/41/1168586041.db2.gz MGHRIJGWSHWODA-HNNXBMFYSA-N 2 0 293.455 1.711 10 0 CDAERP CCN(CC[NH2+]CCC1CC1)C(=O)C12CC[NH+](CC1)C2 ZINC001568791383 1169476712 /nfs/dbraw/zinc/47/67/12/1169476712.db2.gz HKAMCAAUTSBYME-UHFFFAOYSA-N 2 0 279.428 1.320 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001569081554 1169634811 /nfs/dbraw/zinc/63/48/11/1169634811.db2.gz QFJNRETXYFJLRW-AGIUHOORSA-N 2 0 257.422 1.467 10 0 CDAERP Cc1cc(C[NH2+]CCCN(C)C(=O)C[N@@H+](C)C(C)C)on1 ZINC001569270112 1169742826 /nfs/dbraw/zinc/74/28/26/1169742826.db2.gz JTRILTUAJSGEAB-UHFFFAOYSA-N 2 0 296.415 1.261 10 0 CDAERP CCCC[C@@H](C[NH2+]CCF)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001570812897 1170286421 /nfs/dbraw/zinc/28/64/21/1170286421.db2.gz YFMONMXNGDZVSX-QWHCGFSZSA-N 2 0 273.396 1.315 10 0 CDAERP C[N@H+](CCCC[NH+]1CCCCC1)C[C@H](O)C(C)(C)O ZINC001659938521 1172145759 /nfs/dbraw/zinc/14/57/59/1172145759.db2.gz HRXIVIZRXXINJN-AWEZNQCLSA-N 2 0 272.433 1.316 10 0 CDAERP CC[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)CC(C)C ZINC001660586237 1172236544 /nfs/dbraw/zinc/23/65/44/1172236544.db2.gz KNFFHUZYKYENIQ-UHFFFAOYSA-N 2 0 283.460 1.812 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001661832852 1172452131 /nfs/dbraw/zinc/45/21/31/1172452131.db2.gz QDZICCXYRSCWSP-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP CO[C@@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC[NH+](C)C ZINC001665424841 1172993714 /nfs/dbraw/zinc/99/37/14/1172993714.db2.gz AFTSZVXHNKKLQA-KKUMJFAQSA-N 2 0 297.443 1.038 10 0 CDAERP CC(C)[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001666937426 1173209465 /nfs/dbraw/zinc/20/94/65/1173209465.db2.gz BYTORQAIFIDNJB-QWHCGFSZSA-N 2 0 255.406 1.316 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC001667772737 1173322272 /nfs/dbraw/zinc/32/22/72/1173322272.db2.gz ZGJDWDXOKCMVRD-GJZGRUSLSA-N 2 0 281.444 1.757 10 0 CDAERP CC[NH2+]CC[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001668262819 1173388648 /nfs/dbraw/zinc/38/86/48/1173388648.db2.gz GOUAZXDYVLMXRM-ZDUSSCGKSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@@H](C[NH2+]C/C=C/Cl)NC(=O)CCc1cncn1C ZINC001669728733 1173590809 /nfs/dbraw/zinc/59/08/09/1173590809.db2.gz OCTSGNKWSYDQHO-GQOHGMTASA-N 2 0 284.791 1.200 10 0 CDAERP C[N@H+](CC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CCF)C1CCC1 ZINC001669955043 1173637518 /nfs/dbraw/zinc/63/75/18/1173637518.db2.gz DZNXYJMIZOGXFH-HIFRSBDPSA-N 2 0 299.434 1.705 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCCF)C1 ZINC001675751990 1174145050 /nfs/dbraw/zinc/14/50/50/1174145050.db2.gz OAVOCLDWLMLKMJ-KKUMJFAQSA-N 2 0 299.434 1.705 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CCC2CC2)C1)[NH+](C)C ZINC001675785521 1174147700 /nfs/dbraw/zinc/14/77/00/1174147700.db2.gz HIVHCFSMIFGLFN-BZUAXINKSA-N 2 0 295.471 1.857 10 0 CDAERP CCC[NH2+][C@@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001690586579 1175514215 /nfs/dbraw/zinc/51/42/15/1175514215.db2.gz GBAKNLRVZDVCNY-QWHCGFSZSA-N 2 0 255.406 1.365 10 0 CDAERP CC(C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+](C)C ZINC001692084195 1175675055 /nfs/dbraw/zinc/67/50/55/1175675055.db2.gz XQHOMEBVRSAMNQ-KGLIPLIRSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001698553687 1175837517 /nfs/dbraw/zinc/83/75/17/1175837517.db2.gz TWZBWMQSHVJYGK-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CCCF ZINC001698609017 1175870004 /nfs/dbraw/zinc/87/00/04/1175870004.db2.gz CGLZPLFTEIXMHK-MELADBBJSA-N 2 0 287.423 1.561 10 0 CDAERP CCCCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001698624711 1175877462 /nfs/dbraw/zinc/87/74/62/1175877462.db2.gz FNVYIIXCBHZNOH-KGLIPLIRSA-N 2 0 269.433 1.613 10 0 CDAERP CCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001698707627 1175899899 /nfs/dbraw/zinc/89/98/99/1175899899.db2.gz YXRQLWMSPABRSO-KKUMJFAQSA-N 2 0 281.444 1.898 10 0 CDAERP CCCCC[N@H+](C)CCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001699001481 1176030549 /nfs/dbraw/zinc/03/05/49/1176030549.db2.gz WIEDNNFIZZWVBM-OAHLLOKOSA-N 2 0 283.460 1.909 10 0 CDAERP CCOCC[N@H+](C)CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001699003591 1176035039 /nfs/dbraw/zinc/03/50/39/1176035039.db2.gz OTEUAPKSWHZSRE-UHFFFAOYSA-N 2 0 297.443 1.042 10 0 CDAERP CCCC[NH2+]CC[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001699166464 1176120624 /nfs/dbraw/zinc/12/06/24/1176120624.db2.gz UTSSISKDJPCPDU-ZDUSSCGKSA-N 2 0 255.406 1.367 10 0 CDAERP CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001699313442 1176213968 /nfs/dbraw/zinc/21/39/68/1176213968.db2.gz CWUUSTFIYPSLSI-JKWAOEONSA-N 2 0 265.401 1.285 10 0 CDAERP CC[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1[NH2+]CCOC ZINC001699607288 1176497170 /nfs/dbraw/zinc/49/71/70/1176497170.db2.gz VAXNNWKOFGXEIQ-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCCOC)C[C@@H]1C ZINC001699738750 1176598796 /nfs/dbraw/zinc/59/87/96/1176598796.db2.gz MFCRISLTVGIVLA-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCCF)C[C@H]1C ZINC001699742398 1176601033 /nfs/dbraw/zinc/60/10/33/1176601033.db2.gz GZYKBCDUSITZQG-ZIAGYGMSSA-N 2 0 287.423 1.655 10 0 CDAERP CCC[NH2+]CC[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001700082919 1176741313 /nfs/dbraw/zinc/74/13/13/1176741313.db2.gz XPTULUJGRJLGKD-AWEZNQCLSA-N 2 0 281.444 1.566 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001700345154 1176861331 /nfs/dbraw/zinc/86/13/31/1176861331.db2.gz GCXYJFBDJCFNQY-SOUVJXGZSA-N 2 0 299.434 1.799 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC2CC(C[NH2+]C/C=C\Cl)C2)C1 ZINC001700380592 1176886066 /nfs/dbraw/zinc/88/60/66/1176886066.db2.gz DNPVGZHGUGFAKV-OACSWPMHSA-N 2 0 299.846 1.565 10 0 CDAERP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCC3CC3)C2)CC[N@@H+]1C ZINC001700631529 1177045189 /nfs/dbraw/zinc/04/51/89/1177045189.db2.gz QKCIOMOIXJUHPC-DTZQCDIJSA-N 2 0 293.455 1.611 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H]1C ZINC001707265914 1177986850 /nfs/dbraw/zinc/98/68/50/1177986850.db2.gz BROKMNPEVCHWHX-MXPMBAMNSA-N 2 0 293.455 1.873 10 0 CDAERP C[C@@H]1[C@H](C(=O)NCCC[NH+](C)CCCF)CC[N@@H+]1C ZINC001707374116 1178001416 /nfs/dbraw/zinc/00/14/16/1178001416.db2.gz FEKRFPCSDIQYMW-CHWSQXEVSA-N 2 0 273.396 1.124 10 0 CDAERP CC(C)CC[N@H+](C)CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001707376391 1178003778 /nfs/dbraw/zinc/00/37/78/1178003778.db2.gz SLRNUXCNDYPGAL-INIZCTEOSA-N 2 0 295.471 1.812 10 0 CDAERP CC[N@H+](C)CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001707424888 1178038165 /nfs/dbraw/zinc/03/81/65/1178038165.db2.gz ZEYJSNRMUUUPLM-CHWSQXEVSA-N 2 0 255.406 1.317 10 0 CDAERP CCC[NH2+]C[C@@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001724243038 1178163439 /nfs/dbraw/zinc/16/34/39/1178163439.db2.gz BUWLYBRTUSMFDQ-CQSZACIVSA-N 2 0 255.406 1.176 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001713245647 1178449635 /nfs/dbraw/zinc/44/96/35/1178449635.db2.gz KEJILQWMNBQQHT-HUUCEWRRSA-N 2 0 299.434 1.659 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001713443294 1178561428 /nfs/dbraw/zinc/56/14/28/1178561428.db2.gz LLIDNBYLBOZHNX-KGLIPLIRSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCC1CC1 ZINC001713609803 1178679324 /nfs/dbraw/zinc/67/93/24/1178679324.db2.gz UALYKICABWXHKT-INIZCTEOSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)(C(=O)NC[C@H]([NH2+]CCCF)C1CC1)[NH+]1CCCC1 ZINC001713873012 1178806824 /nfs/dbraw/zinc/80/68/24/1178806824.db2.gz WNVWWMZVBJZEFX-AWEZNQCLSA-N 2 0 299.434 1.705 10 0 CDAERP CCC(CC)C[NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001713959087 1178890396 /nfs/dbraw/zinc/89/03/96/1178890396.db2.gz ZVKFKFDDRHBOMD-HDJSIYSDSA-N 2 0 269.433 1.611 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H](C[NH2+]C/C=C\Cl)C2)C1 ZINC001714093059 1178968337 /nfs/dbraw/zinc/96/83/37/1178968337.db2.gz ATEMEBFQLMNZDK-UZBOCLDFSA-N 2 0 299.846 1.519 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001714308376 1179078428 /nfs/dbraw/zinc/07/84/28/1179078428.db2.gz CVFKSGJWUZKOSG-HNNXBMFYSA-N 2 0 281.444 1.923 10 0 CDAERP CCC[NH+]1CCC(CCNC(=O)CC[NH+](C)C)CC1 ZINC001714330348 1179086503 /nfs/dbraw/zinc/08/65/03/1179086503.db2.gz ZPEVPOSYSOAFIO-UHFFFAOYSA-N 2 0 269.433 1.566 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CCC[C@@H]1C[NH2+]CCF ZINC001714336227 1179090604 /nfs/dbraw/zinc/09/06/04/1179090604.db2.gz ABWXZSLLAAWUQI-CHWSQXEVSA-N 2 0 291.386 1.216 10 0 CDAERP CN(CC[NH2+]CCCCCF)C(=O)C12CCC[NH+]1CCC2 ZINC001714731361 1179363707 /nfs/dbraw/zinc/36/37/07/1179363707.db2.gz PUJBXPBJNULQMP-UHFFFAOYSA-N 2 0 299.434 1.803 10 0 CDAERP CC[NH2+]CCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001714761594 1179382787 /nfs/dbraw/zinc/38/27/87/1179382787.db2.gz PXIGITKERILSDC-CVEARBPZSA-N 2 0 289.423 1.400 10 0 CDAERP C[C@H](C[NH2+]CC1CC1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001714824186 1179412112 /nfs/dbraw/zinc/41/21/12/1179412112.db2.gz YRWJFLQGHARIRP-OCCSQVGLSA-N 2 0 267.417 1.175 10 0 CDAERP CCC[NH2+]CC[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001715152755 1179565878 /nfs/dbraw/zinc/56/58/78/1179565878.db2.gz OJPUQHPXCUKUID-HNNXBMFYSA-N 2 0 283.460 1.957 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001715235238 1179590349 /nfs/dbraw/zinc/59/03/49/1179590349.db2.gz YTXZZJQSNQBFES-CQSZACIVSA-N 2 0 281.444 1.779 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001715271339 1179603057 /nfs/dbraw/zinc/60/30/57/1179603057.db2.gz VVPWXKMNZMEIQL-KGLIPLIRSA-N 2 0 269.433 1.326 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCF ZINC001715332049 1179628998 /nfs/dbraw/zinc/62/89/98/1179628998.db2.gz WEVDFTVRVWZTCA-STQMWFEESA-N 2 0 273.396 1.265 10 0 CDAERP CCC[NH2+]CCN(CC)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001715741326 1179786446 /nfs/dbraw/zinc/78/64/46/1179786446.db2.gz BMSBSYHAIUFLPS-CABCVRRESA-N 2 0 281.444 1.851 10 0 CDAERP CCCC[NH2+]C/C=C\CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001715866614 1179881541 /nfs/dbraw/zinc/88/15/41/1179881541.db2.gz BNTFXFVPWCHSTB-GEXIGZQTSA-N 2 0 267.417 1.390 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H](C)C[NH2+]C(C)C ZINC001716439637 1180210283 /nfs/dbraw/zinc/21/02/83/1180210283.db2.gz VMQAUODORLATRT-RYUDHWBXSA-N 2 0 261.385 1.169 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]C/C=C/Cl)[NH+](C)C ZINC001716460921 1180223537 /nfs/dbraw/zinc/22/35/37/1180223537.db2.gz QIAGOJYNJMFZQW-JYLGIWJRSA-N 2 0 261.797 1.173 10 0 CDAERP CN(CCC[NH2+]CC1CCCC1)C(=O)CC[NH+](C)C ZINC001716565229 1180287249 /nfs/dbraw/zinc/28/72/49/1180287249.db2.gz ZQJVUYHAKJPVOM-UHFFFAOYSA-N 2 0 269.433 1.566 10 0 CDAERP CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CCC)C1CC1 ZINC001716612346 1180306462 /nfs/dbraw/zinc/30/64/62/1180306462.db2.gz DKOMQOJISDUICH-GJZGRUSLSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C[NH2+]C/C=C\Cl)C1CC1)[NH+](C)C ZINC001716621314 1180310176 /nfs/dbraw/zinc/31/01/76/1180310176.db2.gz JULANOGIVQQNAT-ODBCZPJSSA-N 2 0 287.835 1.564 10 0 CDAERP CCC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001716989855 1180493915 /nfs/dbraw/zinc/49/39/15/1180493915.db2.gz AKMWJXBNXAXHGF-ZFWWWQNUSA-N 2 0 281.444 1.422 10 0 CDAERP CC[C@@H](C(=O)N1CCO[C@H](C[NH2+]CC=C(C)C)C1)[NH+](C)C ZINC001717183793 1180563941 /nfs/dbraw/zinc/56/39/41/1180563941.db2.gz RANLEROAQYWFIJ-CABCVRRESA-N 2 0 297.443 1.110 10 0 CDAERP COCCCC[NH2+][C@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001717742682 1180820715 /nfs/dbraw/zinc/82/07/15/1180820715.db2.gz OOONUEOZIWTSDT-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP CCCC[N@H+]1CC=C(CNC(=O)CC[NH+](C)CC)CC1 ZINC001718030136 1180976985 /nfs/dbraw/zinc/97/69/85/1180976985.db2.gz DSPFNOQJOUYGTC-UHFFFAOYSA-N 2 0 281.444 1.877 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CCCF)CCN1C(=O)CC[NH+](C)C ZINC001723858457 1181612620 /nfs/dbraw/zinc/61/26/20/1181612620.db2.gz GLUKOPNQOLDERM-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP CC(C)[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001723878039 1181614244 /nfs/dbraw/zinc/61/42/44/1181614244.db2.gz XZRHGQFGCGXJPA-KGLIPLIRSA-N 2 0 269.433 1.704 10 0 CDAERP C[C@H]1C[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CC1CC1 ZINC001724994906 1181819313 /nfs/dbraw/zinc/81/93/13/1181819313.db2.gz IOCFSJGVIWHKSV-JSGCOSHPSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001725363864 1181974880 /nfs/dbraw/zinc/97/48/80/1181974880.db2.gz GIXHBCCFDDDSJT-MGPQQGTHSA-N 2 0 299.434 1.561 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001725754452 1182123358 /nfs/dbraw/zinc/12/33/58/1182123358.db2.gz GBIMVOBFYGGPRK-NEPJUHHUSA-N 2 0 255.406 1.079 10 0 CDAERP CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001731394457 1182358561 /nfs/dbraw/zinc/35/85/61/1182358561.db2.gz XALWHIBYFJANKS-KBPBESRZSA-N 2 0 267.417 1.364 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C[NH2+]CCF)C1 ZINC001731532395 1182432815 /nfs/dbraw/zinc/43/28/15/1182432815.db2.gz VXWDXIHAXAOUCT-ZDUSSCGKSA-N 2 0 273.396 1.126 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001731732276 1182537969 /nfs/dbraw/zinc/53/79/69/1182537969.db2.gz KBBGIIUGPPJELU-CQSZACIVSA-N 2 0 281.444 1.779 10 0 CDAERP CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C ZINC001732146412 1182805839 /nfs/dbraw/zinc/80/58/39/1182805839.db2.gz YKXCYEIHBOHGSG-JYJNAYRXSA-N 2 0 293.455 1.946 10 0 CDAERP CC[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC=C(C)C ZINC001732210026 1182858315 /nfs/dbraw/zinc/85/83/15/1182858315.db2.gz DUWYHYPFDAMJNM-LSDHHAIUSA-N 2 0 281.444 1.779 10 0 CDAERP CCC[NH2+]Cc1ccc(CNC(=O)CC[NH+](C)C)cc1 ZINC001732319346 1182904823 /nfs/dbraw/zinc/90/48/23/1182904823.db2.gz OWXSREGSRUPCJL-UHFFFAOYSA-N 2 0 277.412 1.754 10 0 CDAERP C[C@@H](C[NH2+]C/C=C/Cl)N(C)C(=O)C[NH+]1CCCC1 ZINC001732453910 1182973497 /nfs/dbraw/zinc/97/34/97/1182973497.db2.gz JUSFWUOGPABYSI-FYJFLYSWSA-N 2 0 273.808 1.271 10 0 CDAERP COCCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001732497702 1182989289 /nfs/dbraw/zinc/98/92/89/1182989289.db2.gz DHVFERRCRUQGII-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP CCC[NH2+]C[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001733019587 1183241481 /nfs/dbraw/zinc/24/14/81/1183241481.db2.gz ZDQIXAKCMQKVTG-ZDUSSCGKSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)=CC[NH2+]CCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001733143736 1183305382 /nfs/dbraw/zinc/30/53/82/1183305382.db2.gz VBMZEJNIVYTQGV-OAHLLOKOSA-N 2 0 281.444 1.733 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001733228595 1183354938 /nfs/dbraw/zinc/35/49/38/1183354938.db2.gz FLYTURPZOUERCH-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP CC[N@@H+]1CC[C@@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001733296774 1183382628 /nfs/dbraw/zinc/38/26/28/1183382628.db2.gz JVAOBHYJHURBCS-MRXNPFEDSA-N 2 0 281.444 1.663 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001733763398 1183524587 /nfs/dbraw/zinc/52/45/87/1183524587.db2.gz WNLKFMXNNFEBRL-CYBMUJFWSA-N 2 0 255.406 1.317 10 0 CDAERP COCCCC[NH2+]C1(C)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001733867249 1183555042 /nfs/dbraw/zinc/55/50/42/1183555042.db2.gz DBLGSEIMQLKTPR-UHFFFAOYSA-N 2 0 299.459 1.335 10 0 CDAERP CC[NH2+]CC1(NC(=O)CC[NH+](C)C)CCCCC1 ZINC001734089857 1183653760 /nfs/dbraw/zinc/65/37/60/1183653760.db2.gz LVGHEMNEOCEIDX-UHFFFAOYSA-N 2 0 255.406 1.367 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@H]2CC[C@H](C[NH2+]CCF)C2)CC1 ZINC001734481596 1183794962 /nfs/dbraw/zinc/79/49/62/1183794962.db2.gz QEIHBUIBZVQRBC-STQMWFEESA-N 2 0 285.407 1.172 10 0 CDAERP CCN(C(=O)NC[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](CC)C1 ZINC001772430987 1187226819 /nfs/dbraw/zinc/22/68/19/1187226819.db2.gz DRIDTZXAWFRLOR-GJZGRUSLSA-N 2 0 296.459 1.596 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1C ZINC001629121229 1166116109 /nfs/dbraw/zinc/11/61/09/1166116109.db2.gz FBZRWTRJYSYHLD-XUXIUFHCSA-N 2 0 267.417 1.316 10 0 CDAERP C1=C[C@@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)[C@H]2CO[C@@H]1C2 ZINC000925830624 823717119 /nfs/dbraw/zinc/71/71/19/823717119.db2.gz JSALHBQGVHJHDM-JOWFITRBSA-N 2 0 262.397 1.555 10 0 CDAERP COC(=O)N1CCC[C@H]([NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925565554 828347392 /nfs/dbraw/zinc/34/73/92/828347392.db2.gz UIPSTRFIRBYUST-AVGNSLFASA-N 2 0 283.416 1.713 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@H](N3CCCC3)C2)C1 ZINC000382629103 828379499 /nfs/dbraw/zinc/37/94/99/828379499.db2.gz JVFLZZASBHQAHW-ZNMIVQPWSA-N 2 0 251.418 1.674 10 0 CDAERP C[C@@H](NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+])C1CC[NH2+]CC1 ZINC000872310941 828396190 /nfs/dbraw/zinc/39/61/90/828396190.db2.gz SDUSCZKMZJIMGQ-BNOWGMLFSA-N 2 0 267.417 1.398 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000715572253 828415765 /nfs/dbraw/zinc/41/57/65/828415765.db2.gz QZAJOWMCFVPTNP-OKWIKPQFSA-N 2 0 265.401 1.103 10 0 CDAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](C[C@@H]1CC3(CCC3)CO1)CC2 ZINC000923443543 828426143 /nfs/dbraw/zinc/42/61/43/828426143.db2.gz FOGRCQMBIHRPHL-GJZGRUSLSA-N 2 0 294.439 1.775 10 0 CDAERP C[NH+](C)CC[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)c1cccnc1 ZINC000928827366 828455795 /nfs/dbraw/zinc/45/57/95/828455795.db2.gz AUBPRGOKZCCHEM-LSDHHAIUSA-N 2 0 290.411 1.285 10 0 CDAERP c1[nH+]cn2ccc(-c3noc([C@H]4C[C@]45CC[NH2+]C5)n3)cc12 ZINC000823167508 822662260 /nfs/dbraw/zinc/66/22/60/822662260.db2.gz ILBCURCWTVTWEV-DOMZBBRYSA-N 2 0 281.319 1.851 10 0 CDAERP CCc1onc(C)c1C[NH2+][C@@H](CCC[NH3+])COC ZINC000925891182 822686262 /nfs/dbraw/zinc/68/62/62/822686262.db2.gz UGUXVESZAKDJHR-NSHDSACASA-N 2 0 255.362 1.389 10 0 CDAERP C[NH+]1CCN(CCC[NH2+][C@H](C2CCC2)[C@H]2CCOC2)CC1 ZINC000924579130 822688487 /nfs/dbraw/zinc/68/84/87/822688487.db2.gz VXXFLOCXCBRQEF-DLBZAZTESA-N 2 0 295.471 1.419 10 0 CDAERP C[C@@H]([NH3+])C1CCN(C(=O)CCC23CC(C2)C[NH2+]3)CC1 ZINC000870934845 822716367 /nfs/dbraw/zinc/71/63/67/822716367.db2.gz GQFZVUQPTVJIBX-XIKARTHZSA-N 2 0 265.401 1.104 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2[C@@H](C)COC[C@H]2C)CC1 ZINC000924667417 822767662 /nfs/dbraw/zinc/76/76/62/822767662.db2.gz JVEBZMBIEFXQSK-QXSJWSMHSA-N 2 0 283.460 1.273 10 0 CDAERP C[C@H](NC(=O)c1ccc2c[nH+]cn2c1)C1CC[NH2+]CC1 ZINC000868014393 822768622 /nfs/dbraw/zinc/76/86/22/822768622.db2.gz MKXNHGCRBWHMGJ-NSHDSACASA-N 2 0 272.352 1.452 10 0 CDAERP C[C@@H]1C[C@@H](C[NH2+]Cc2cccnc2-n2ccnc2)CC[NH2+]1 ZINC000841095434 823737159 /nfs/dbraw/zinc/73/71/59/823737159.db2.gz GCHINZWMRKFPEV-KGLIPLIRSA-N 2 0 285.395 1.745 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3[C@@H](CC[NH+]3C)C2)CC[N@@H+]1C ZINC000827233788 823797655 /nfs/dbraw/zinc/79/76/55/823797655.db2.gz SCKXHCFULOWSRP-BYNSBNAKSA-N 2 0 279.428 1.269 10 0 CDAERP c1csc(C2([NH2+]C[C@@H]3CC4(C[NH2+]C4)CO3)CCCC2)n1 ZINC000923326296 823821498 /nfs/dbraw/zinc/82/14/98/823821498.db2.gz KFPHHDAYBPFTKV-LBPRGKRZSA-N 2 0 293.436 1.881 10 0 CDAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=[NH2+])N[C@@H](C)C2CC2)C1 ZINC000080874633 823841705 /nfs/dbraw/zinc/84/17/05/823841705.db2.gz UDIXMFHJONRBTA-GXTWGEPZSA-N 2 0 282.432 1.046 10 0 CDAERP CC[C@H]1CCN(C(=[NH2+])NCCCC[NH+]2CCOCC2)C1 ZINC000864452329 823895410 /nfs/dbraw/zinc/89/54/10/823895410.db2.gz NCMCSIHLQDNUFN-AWEZNQCLSA-N 2 0 282.432 1.355 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)NC2CCCCCC2)CC[C@@H]1C[NH3+] ZINC000165321295 823941025 /nfs/dbraw/zinc/94/10/25/823941025.db2.gz GTQARQXZPLAPTD-ZIAGYGMSSA-N 2 0 281.444 1.742 10 0 CDAERP CC[C@@H]1CCCC[C@@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925810871 824034600 /nfs/dbraw/zinc/03/46/00/824034600.db2.gz GTTIMVSNMIRWEC-HIFRSBDPSA-N 2 0 253.434 1.968 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000846689374 824066984 /nfs/dbraw/zinc/06/69/84/824066984.db2.gz WNHSTNRKMYFTPC-GFCCVEGCSA-N 2 0 255.406 1.221 10 0 CDAERP C[C@H](C[NH2+][C@@H]1[C@@H](C)COC[C@H]1C)C[NH+]1CCCC1 ZINC000924718454 824095640 /nfs/dbraw/zinc/09/56/40/824095640.db2.gz YKSBGHDGMCBCGF-KBXIAJHMSA-N 2 0 254.418 1.979 10 0 CDAERP CC[NH+]1CCC([NH2+]C[C@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000848571350 824113386 /nfs/dbraw/zinc/11/33/86/824113386.db2.gz QRPDMPYQNSUJET-ZDUSSCGKSA-N 2 0 267.373 1.044 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925837459 824118851 /nfs/dbraw/zinc/11/88/51/824118851.db2.gz DWYGLOOETJKHQM-UMFZCAQGSA-N 3 0 263.429 1.624 10 0 CDAERP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925776141 824151563 /nfs/dbraw/zinc/15/15/63/824151563.db2.gz JGXCEWBCACRWME-CHWSQXEVSA-N 2 0 286.370 1.742 10 0 CDAERP C[N@@H+]1CCN(CC[NH+]2CCCC2)C[C@H]1C(C)(C)C ZINC000930883315 824153779 /nfs/dbraw/zinc/15/37/79/824153779.db2.gz QVMYPFJYHCTRGD-AWEZNQCLSA-N 2 0 253.434 1.744 10 0 CDAERP Cn1nccc1[C@H](O)C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925889257 824268327 /nfs/dbraw/zinc/26/83/27/824268327.db2.gz JHBAULUPXZSYRE-GOEBONIOSA-N 2 0 288.395 1.523 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H](CO)CCc1ccccc1 ZINC000926891190 824272474 /nfs/dbraw/zinc/27/24/74/824272474.db2.gz GUWJPBHEBNUYDJ-KTGAGVNESA-N 2 0 288.435 1.910 10 0 CDAERP C(C1CC1)[NH+]1CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000700311791 824300910 /nfs/dbraw/zinc/30/09/10/824300910.db2.gz WEKZKNONRQHLSA-HNNXBMFYSA-N 2 0 251.418 1.404 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CC2CC3(C2)OCCO3)CC1(C)C ZINC000922797755 824333999 /nfs/dbraw/zinc/33/39/99/824333999.db2.gz BFFPOFMJMKCMHC-CYBMUJFWSA-N 2 0 268.401 1.602 10 0 CDAERP COC(=O)C1=CC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000863542942 824350780 /nfs/dbraw/zinc/35/07/80/824350780.db2.gz UZFOTKVHIYNYPG-XDQVBPFNSA-N 2 0 264.369 1.226 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H](N[C@@H]2C[NH2+]C[C@H]2C)[C@H](C)C1 ZINC000925783037 824352324 /nfs/dbraw/zinc/35/23/24/824352324.db2.gz BJEASYNOYMWKNK-LVQVYYBASA-N 2 0 283.460 1.321 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCN1CCc2[nH+]ccc(N)c2C1 ZINC000931508567 824374619 /nfs/dbraw/zinc/37/46/19/824374619.db2.gz JBGZJFDUFQLZEQ-CYBMUJFWSA-N 2 0 274.412 1.896 10 0 CDAERP Cn1cncc1C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000715518575 824381909 /nfs/dbraw/zinc/38/19/09/824381909.db2.gz LCMAPVKEFNBPPD-UHFFFAOYSA-N 2 0 250.390 1.773 10 0 CDAERP O=C1O[C@@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)CN1C1CC1 ZINC000848569651 824390471 /nfs/dbraw/zinc/39/04/71/824390471.db2.gz BVZQYTIEXHLXOC-HNNXBMFYSA-N 2 0 293.411 1.434 10 0 CDAERP CNC(=O)C(C)(C)C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925604752 824419059 /nfs/dbraw/zinc/41/90/59/824419059.db2.gz AVIZGGBWTNYQRM-GHMZBOCLSA-N 2 0 255.406 1.254 10 0 CDAERP Cc1cc(C)n(CC[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)n1 ZINC000386919413 824428863 /nfs/dbraw/zinc/42/88/63/824428863.db2.gz RGALMUWYSAULCW-BXUZGUMPSA-N 2 0 250.390 1.417 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000715536019 824435492 /nfs/dbraw/zinc/43/54/92/824435492.db2.gz DILNNSILAFMJGG-RQJABVFESA-N 2 0 267.417 1.350 10 0 CDAERP [NH3+][C@H]1C[C@@H](NCC2([NH+]3CCCC3)CCOCC2)C12CCC2 ZINC000925499956 824445820 /nfs/dbraw/zinc/44/58/20/824445820.db2.gz VGXQVIPLQORDHL-LSDHHAIUSA-N 2 0 293.455 1.491 10 0 CDAERP C[C@@H](CCc1cccnc1)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000866270243 824524457 /nfs/dbraw/zinc/52/44/57/824524457.db2.gz LGNLNHVBKGNVOV-AWEZNQCLSA-N 2 0 277.412 1.449 10 0 CDAERP CCO[C@@H](CN[C@@H]1CC[NH2+]C12CCCC2)C[NH+](C)C ZINC000925837315 824539007 /nfs/dbraw/zinc/53/90/07/824539007.db2.gz GAMOEHPJTKDXAS-UONOGXRCSA-N 2 0 269.433 1.217 10 0 CDAERP COCC[N@H+](C)CCC[NH2+][C@@H]1[C@@H](C)COC[C@H]1C ZINC000924656474 824540297 /nfs/dbraw/zinc/54/02/97/824540297.db2.gz RAHIWDQCDKRXKN-WDNDVIMCSA-N 2 0 258.406 1.215 10 0 CDAERP CC(C)CC[NH+]1CCC([NH2+][C@H]2C[C@H](C(N)=O)C2)CC1 ZINC000926756453 824547134 /nfs/dbraw/zinc/54/71/34/824547134.db2.gz VJSJEBLREMIKFL-MQMHXKEQSA-N 2 0 267.417 1.350 10 0 CDAERP C[C@@H]1CCC[N@H+](CCO[C@H]2CCOC2)[C@@H]1CCC[NH3+] ZINC000724947484 824552871 /nfs/dbraw/zinc/55/28/71/824552871.db2.gz DUUVOUNJJWBXSY-QLFBSQMISA-N 2 0 270.417 1.631 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+]Cc1cccnc1-n1ccnc1 ZINC000817899170 828660742 /nfs/dbraw/zinc/66/07/42/828660742.db2.gz DPSNAVMLQAXBAU-ZDUSSCGKSA-N 2 0 273.384 1.874 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCOCC(F)(F)F)C2 ZINC000709861117 824704775 /nfs/dbraw/zinc/70/47/75/824704775.db2.gz MXFKCGLRXRXFBQ-AXFHLTTASA-N 2 0 266.307 1.767 10 0 CDAERP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711318074 824802660 /nfs/dbraw/zinc/80/26/60/824802660.db2.gz TUOFNCJSNWAFEQ-ZIAGYGMSSA-N 2 0 283.460 1.859 10 0 CDAERP Cc1noc(CCC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)n1 ZINC000925591689 824807055 /nfs/dbraw/zinc/80/70/55/824807055.db2.gz CQFNJVQCJWJBIM-GHMZBOCLSA-N 2 0 250.346 1.170 10 0 CDAERP O=C1CC[N@H+](C[C@@H]2CCC[NH2+]C2)CCCCCCN1 ZINC000866683561 824812879 /nfs/dbraw/zinc/81/28/79/824812879.db2.gz DEZRGBUWZPUIGX-CQSZACIVSA-N 2 0 267.417 1.368 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCOC2CCOCC2)CC1(C)C ZINC000922929002 824814280 /nfs/dbraw/zinc/81/42/80/824814280.db2.gz ZVXNBLCWLOKNBP-ZDUSSCGKSA-N 2 0 270.417 1.644 10 0 CDAERP C[C@@H](C[NH2+][C@@H]1[C@@H](C)COC[C@H]1C)CN1CC[NH+](C)CC1 ZINC000924949351 824852648 /nfs/dbraw/zinc/85/26/48/824852648.db2.gz LIZBGXOALHJOFW-CAOSSQGBSA-N 2 0 283.460 1.131 10 0 CDAERP Cc1cc(NC(=O)C[N@H+](C)CCCCCC[NH3+])on1 ZINC000710817715 824855562 /nfs/dbraw/zinc/85/55/62/824855562.db2.gz BZOFGKLKLCQLIP-UHFFFAOYSA-N 2 0 268.361 1.372 10 0 CDAERP CCCCC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723891755 824863391 /nfs/dbraw/zinc/86/33/91/824863391.db2.gz QSNIGOVXECAZDP-RBSFLKMASA-N 2 0 283.460 1.988 10 0 CDAERP CCc1onc(C)c1C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923490991 824908976 /nfs/dbraw/zinc/90/89/76/824908976.db2.gz GPWNDIBIPRMVKK-ZYHUDNBSSA-N 2 0 251.374 1.962 10 0 CDAERP C[C@@H]1C[C@@H]1NC(=[NH2+])NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000864464868 824911142 /nfs/dbraw/zinc/91/11/42/824911142.db2.gz JXVOAZCFVOENDD-WOPDTQHZSA-N 2 0 252.406 1.629 10 0 CDAERP [NH3+]Cc1cccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000094456989 824912670 /nfs/dbraw/zinc/91/26/70/824912670.db2.gz DSSLWRCXASHIPY-AWEZNQCLSA-N 2 0 259.353 1.066 10 0 CDAERP CC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)OCCCO1 ZINC000843341036 824923319 /nfs/dbraw/zinc/92/33/19/824923319.db2.gz YCXMXQMURKDAHB-RWMBFGLXSA-N 2 0 254.374 1.117 10 0 CDAERP C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925846017 824929104 /nfs/dbraw/zinc/92/91/04/824929104.db2.gz MYFXEYXXNIOEOD-KLHDSHLOSA-N 3 0 263.429 1.735 10 0 CDAERP CC(C)C[C@H]([NH3+])C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712671305 824988384 /nfs/dbraw/zinc/98/83/84/824988384.db2.gz PAVZBWANYOYVHU-LBPRGKRZSA-N 2 0 255.406 1.303 10 0 CDAERP O=C1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)CCCCCCN1 ZINC000866684083 825031163 /nfs/dbraw/zinc/03/11/63/825031163.db2.gz IHUGFDWYTFXMDN-HNNXBMFYSA-N 2 0 281.444 1.758 10 0 CDAERP CCCCCCNC(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923497229 825052121 /nfs/dbraw/zinc/05/21/21/825052121.db2.gz ASOCGTHAHNTMLY-UONOGXRCSA-N 2 0 269.433 1.600 10 0 CDAERP C[NH+]1CCN(CCC[NH2+][C@H]2CCCc3cn[nH]c32)CC1 ZINC000857846690 825058705 /nfs/dbraw/zinc/05/87/05/825058705.db2.gz PBHFPNVUZUTLRV-AWEZNQCLSA-N 2 0 277.416 1.014 10 0 CDAERP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000929842943 825090034 /nfs/dbraw/zinc/09/00/34/825090034.db2.gz FWGMRLSRWCSVDV-BARDWOONSA-N 2 0 280.412 1.602 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2nc(Br)c[nH]2)C1 ZINC000864050431 825098897 /nfs/dbraw/zinc/09/88/97/825098897.db2.gz HKQRLQSZRVICCA-DTORHVGOSA-N 2 0 287.205 1.602 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)C[C@@H]1CC[C@H](C2CC2)O1 ZINC000715407078 825136315 /nfs/dbraw/zinc/13/63/15/825136315.db2.gz ZCZDJLLNDWRPMV-UONOGXRCSA-N 2 0 256.390 1.112 10 0 CDAERP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1)N1CCCC1 ZINC000923506197 825252511 /nfs/dbraw/zinc/25/25/11/825252511.db2.gz GGDKGXHNGHXWJW-HNNXBMFYSA-N 2 0 293.455 1.711 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1ccc(C)c(Cl)n1 ZINC000866668952 825269284 /nfs/dbraw/zinc/26/92/84/825269284.db2.gz MRKLRKFJUHPQHB-UHFFFAOYSA-N 2 0 271.792 1.711 10 0 CDAERP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCc1cccc2c1OCCO2 ZINC000925873745 828766701 /nfs/dbraw/zinc/76/67/01/828766701.db2.gz CWRYQJINHCILAJ-STQMWFEESA-N 2 0 262.353 1.470 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713419677 828769170 /nfs/dbraw/zinc/76/91/70/828769170.db2.gz KBSSMYPQTBFUHT-CXTNEJHOSA-N 2 0 265.401 1.104 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)C[C@H]([NH3+])C1CC1 ZINC000123633040 825356880 /nfs/dbraw/zinc/35/68/80/825356880.db2.gz YTRBLZMSZGKRTH-STQMWFEESA-N 2 0 255.406 1.206 10 0 CDAERP C[C@@H]1CC[C@H]([NH2+]CCN2CCC([NH3+])CC2)[C@H](C)C1 ZINC000925813604 825387811 /nfs/dbraw/zinc/38/78/11/825387811.db2.gz XDOSDTNCEZZQFC-NFAWXSAZSA-N 2 0 253.434 1.824 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H](CNC2=[NH+]CCCCN2)C1 ZINC000849216681 825437291 /nfs/dbraw/zinc/43/72/91/825437291.db2.gz ANNGTMOXBHPPKN-CQSZACIVSA-N 2 0 266.433 1.683 10 0 CDAERP C[C@@H]1CCC[N@@H+]1CCN[C@@H]1CC[NH+](C)[C@H]2CCC[C@@H]21 ZINC000796781159 825439614 /nfs/dbraw/zinc/43/96/14/825439614.db2.gz LKFYHXCFHSFJIR-FPCVCCKLSA-N 2 0 265.445 1.933 10 0 CDAERP C(CC[NH2+][C@@H]1CNCCOC1)CCC1CC[NH2+]CC1 ZINC000925807438 825474453 /nfs/dbraw/zinc/47/44/53/825474453.db2.gz JRPIRPAPFFTQNT-OAHLLOKOSA-N 2 0 269.433 1.124 10 0 CDAERP C[C@H]1C[N@H+](Cc2cn3cccnc3n2)CC[C@@H]1C[NH3+] ZINC000923501721 825577876 /nfs/dbraw/zinc/57/78/76/825577876.db2.gz TUEVQKUVNYABQQ-NWDGAFQWSA-N 2 0 259.357 1.146 10 0 CDAERP C[N@H+](CCCC[NH+]1CCCCC1)C[C@H](O)C1(O)CCC1 ZINC000931702017 828808035 /nfs/dbraw/zinc/80/80/35/828808035.db2.gz JBLZYOPIFUGQJI-HNNXBMFYSA-N 2 0 284.444 1.460 10 0 CDAERP Cn1cc([C@H]2CCCN2C[C@H](O)C[NH+]2CCCC2)cn1 ZINC000312151053 825667868 /nfs/dbraw/zinc/66/78/68/825667868.db2.gz VSNZCZVJKYGAON-HUUCEWRRSA-N 2 0 278.400 1.014 10 0 CDAERP Cn1nccc1[C@H](O)C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925891818 825756653 /nfs/dbraw/zinc/75/66/53/825756653.db2.gz XPXARKDEPMPBCM-OFQRWUPVSA-N 2 0 292.427 1.211 10 0 CDAERP C[C@H]1C[C@@H](N(C)C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC[N@@H+]1C ZINC000870893441 825777351 /nfs/dbraw/zinc/77/73/51/825777351.db2.gz VQSNVNJVBUMSEL-DGAVXFQQSA-N 2 0 267.417 1.445 10 0 CDAERP Cn1nccc1[C@H](O)C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925891820 825802967 /nfs/dbraw/zinc/80/29/67/825802967.db2.gz XPXARKDEPMPBCM-SQWLQELKSA-N 2 0 292.427 1.211 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NCC1CC[NH+](C)CC1 ZINC000713070748 825804088 /nfs/dbraw/zinc/80/40/88/825804088.db2.gz SZZICXWMNZTYCK-ZDUSSCGKSA-N 2 0 269.433 1.454 10 0 CDAERP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)(C)CO ZINC000925042795 825806235 /nfs/dbraw/zinc/80/62/35/825806235.db2.gz UOFDAJZXJVCNLE-ZIAGYGMSSA-N 2 0 283.460 1.152 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@@H+]1C ZINC000925341619 825822865 /nfs/dbraw/zinc/82/28/65/825822865.db2.gz DZNCFRAKBCGPAG-YYJFMHSASA-N 2 0 294.443 1.346 10 0 CDAERP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925882832 825852741 /nfs/dbraw/zinc/85/27/41/825852741.db2.gz VHLWOTRXOMOFKH-NCOADZHNSA-N 3 0 285.435 1.905 10 0 CDAERP O=C(CCC12CC(C1)C[NH2+]2)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000870852673 825922367 /nfs/dbraw/zinc/92/23/67/825922367.db2.gz KADQYYFPKDVQEW-GYMHETDLSA-N 2 0 291.439 1.509 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCc1cccc2c1OCCO2 ZINC000925875836 825867725 /nfs/dbraw/zinc/86/77/25/825867725.db2.gz WYLOCSGEUUUPER-AWEZNQCLSA-N 2 0 294.395 1.344 10 0 CDAERP C([C@@H]1CCCOC1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000111322114 826175362 /nfs/dbraw/zinc/17/53/62/826175362.db2.gz HSLIRACUONWBFF-ZNMIVQPWSA-N 2 0 252.402 1.877 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)Nc2ccc(O)cc2)CC[C@@H]1C[NH3+] ZINC000923501092 826287900 /nfs/dbraw/zinc/28/79/00/826287900.db2.gz RQYAUJIGPKMESE-VXGBXAGGSA-N 2 0 277.368 1.247 10 0 CDAERP C[NH2+]C[C@H](C)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000870993807 826308841 /nfs/dbraw/zinc/30/88/41/826308841.db2.gz MVHAZEDCVNMUTM-SMDDNHRTSA-N 2 0 255.406 1.065 10 0 CDAERP C[NH+]1CCN(C(C)(C)C[NH2+]CC2(O)CCCCC2)CC1 ZINC000819061200 826339594 /nfs/dbraw/zinc/33/95/94/826339594.db2.gz KAHUJRIAATWAEY-UHFFFAOYSA-N 2 0 283.460 1.297 10 0 CDAERP CC(C)n1ccc(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)n1 ZINC000923449214 826349989 /nfs/dbraw/zinc/34/99/89/826349989.db2.gz LPGNIGQBKOPVDP-OAHLLOKOSA-N 2 0 292.427 1.794 10 0 CDAERP C1C[C@H]2CC([NH2+][C@@H]3CCCN4CCSC[C@@H]34)C[C@@H]1[NH2+]2 ZINC000720469647 826353906 /nfs/dbraw/zinc/35/39/06/826353906.db2.gz CSWSABYQZTVTPP-WQGXVZNYSA-N 2 0 281.469 1.439 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](CCn2cccn2)C1 ZINC000866707654 826354339 /nfs/dbraw/zinc/35/43/39/826354339.db2.gz VMBVBEYARWIFEK-AWEZNQCLSA-N 2 0 250.390 1.580 10 0 CDAERP C[N@@H+]1CC[C@H](NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)[C@H]2CCC[C@H]21 ZINC000796761389 826365401 /nfs/dbraw/zinc/36/54/01/826365401.db2.gz DXZNYZDYLJNMRM-OVYGPGRDSA-N 2 0 293.455 1.312 10 0 CDAERP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000718364102 826388111 /nfs/dbraw/zinc/38/81/11/826388111.db2.gz PIYIANRDPHCLFB-QLFBSQMISA-N 2 0 270.417 1.380 10 0 CDAERP CCOC(=O)NC1CCC([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000850476581 826391072 /nfs/dbraw/zinc/39/10/72/826391072.db2.gz NOZOLYLUCNDLBA-LPDVGHNRSA-N 2 0 297.443 1.974 10 0 CDAERP C(C[NH2+]C1CC1)CN1CCC([NH2+]CC2CC2)CC1 ZINC000923293598 826564627 /nfs/dbraw/zinc/56/46/27/826564627.db2.gz YMEZNKYMUFIAFN-UHFFFAOYSA-N 2 0 251.418 1.593 10 0 CDAERP C[C@@H](C[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1)N(C)C ZINC000711485436 826643607 /nfs/dbraw/zinc/64/36/07/826643607.db2.gz RIGYZBAGQKUGTJ-HIFPTAJRSA-N 2 0 285.432 1.829 10 0 CDAERP CCC[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C[C@H]1CCCCO1 ZINC000923311417 826741530 /nfs/dbraw/zinc/74/15/30/826741530.db2.gz LRNIJSLXCQXYLN-CABCVRRESA-N 2 0 282.428 1.646 10 0 CDAERP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@]3(C)CCC[NH2+]3)CC[C@H]21 ZINC000709527613 826806924 /nfs/dbraw/zinc/80/69/24/826806924.db2.gz AFRYPWSQULWDFN-GUTXKFCHSA-N 2 0 265.401 1.071 10 0 CDAERP COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CCCCCC[NH3+] ZINC000846221476 826821481 /nfs/dbraw/zinc/82/14/81/826821481.db2.gz ZBDOCEGLRLQDFS-MJBXVCDLSA-N 2 0 268.401 1.779 10 0 CDAERP C[N@H+](CCNC(=O)CO[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000844172720 826823100 /nfs/dbraw/zinc/82/31/00/826823100.db2.gz WKYOJGSTBQLWSS-OAHLLOKOSA-N 2 0 297.443 1.136 10 0 CDAERP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCO[C@H]1CCOC1 ZINC000923328572 826853295 /nfs/dbraw/zinc/85/32/95/826853295.db2.gz AMQHNYSRZKJNRN-GSPSYOTPSA-N 2 0 254.374 1.136 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]CCC(=O)NCc2ccccc2)C12CCC2 ZINC000925543712 826867432 /nfs/dbraw/zinc/86/74/32/826867432.db2.gz OCZOEYZBLLRURA-HUUCEWRRSA-N 2 0 287.407 1.552 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)CCCC[NH+]1CCCC1)C2 ZINC000872264855 826881758 /nfs/dbraw/zinc/88/17/58/826881758.db2.gz AMCHFVBNOUOGDP-CALCHBBNSA-N 2 0 293.455 1.711 10 0 CDAERP CCOC(=O)N1CC[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925639490 827008574 /nfs/dbraw/zinc/00/85/74/827008574.db2.gz CDVQYBNFYRSNFQ-FRRDWIJNSA-N 2 0 283.416 1.713 10 0 CDAERP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925842720 827021630 /nfs/dbraw/zinc/02/16/30/827021630.db2.gz BVQYZLCNEBVTBW-HOTGVXAUSA-N 3 0 282.476 1.040 10 0 CDAERP C[C@@H]1CCc2ccc(F)cc2[C@@H]1[NH2+]C[C@H](O)CN(C)C ZINC000866262755 827028351 /nfs/dbraw/zinc/02/83/51/827028351.db2.gz GDMPKAXJPOLLRJ-DIOULYMOSA-N 2 0 280.387 1.961 10 0 CDAERP CC[C@@H]1CCN(C(=[NH2+])NCC2CC[NH+](C)CC2)C1 ZINC000864455657 827044526 /nfs/dbraw/zinc/04/45/26/827044526.db2.gz AASBQAXOQATCPB-GFCCVEGCSA-N 2 0 252.406 1.584 10 0 CDAERP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000924962799 827060137 /nfs/dbraw/zinc/06/01/37/827060137.db2.gz CAIOHCQTANHGLX-PMPSAXMXSA-N 2 0 283.460 1.273 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)C[NH+]3CCC2CC3)CC[N@@H+]1C ZINC000864083720 827065502 /nfs/dbraw/zinc/06/55/02/827065502.db2.gz CZZPGVNESDBPRU-LZWOXQAQSA-N 2 0 279.428 1.317 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]C2CCC3(CC2)OCCO3)C12CCC2 ZINC000715589491 827074682 /nfs/dbraw/zinc/07/46/82/827074682.db2.gz QXXHSXBBEMDWPN-OLZOCXBDSA-N 2 0 266.385 1.532 10 0 CDAERP CC[NH+](CC)C[C@@H]1CCN(C[C@H](O)c2ccc(F)cn2)C1 ZINC000799304343 827084956 /nfs/dbraw/zinc/08/49/56/827084956.db2.gz VJQDAQVDBBLGOX-BBRMVZONSA-N 2 0 295.402 1.918 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)c1ccccc1 ZINC000870915665 827089046 /nfs/dbraw/zinc/08/90/46/827089046.db2.gz PHYBJPAKFOSZOQ-DLTWYDFYSA-N 2 0 287.407 1.533 10 0 CDAERP CNC(=O)[C@H](CCSC)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925669257 827116057 /nfs/dbraw/zinc/11/60/57/827116057.db2.gz RYTHWMJUTZIFET-UTUOFQBUSA-N 2 0 287.473 1.350 10 0 CDAERP CN1CCC[C@H]1C[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000926770921 827190978 /nfs/dbraw/zinc/19/09/78/827190978.db2.gz IHUDYJCLICYWOH-SOUVJXGZSA-N 2 0 251.418 1.687 10 0 CDAERP CC[C@H](C)NC(=O)[C@@H](C)[N@H+](C)CCCCCC[NH3+] ZINC000710779826 827247437 /nfs/dbraw/zinc/24/74/37/827247437.db2.gz IRWWQVBKSXGLSZ-QWHCGFSZSA-N 2 0 257.422 1.741 10 0 CDAERP C[C@H]1CC2(CN1C(=O)[C@]13C[C@H]1C[C@H]([NH3+])C3)CC[NH2+]CC2 ZINC000870948513 827277178 /nfs/dbraw/zinc/27/71/78/827277178.db2.gz JMLFDNUVNJOELY-ZWUHOBOKSA-N 2 0 277.412 1.104 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(C(=O)CCC23CC(C2)C[NH2+]3)C1 ZINC000870895224 827358010 /nfs/dbraw/zinc/35/80/10/827358010.db2.gz ZFKQKCRMCYNGOF-BBBYJDLNSA-N 2 0 279.428 1.461 10 0 CDAERP CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)CC)[C@@H]1CCCOC1 ZINC000724004352 827381633 /nfs/dbraw/zinc/38/16/33/827381633.db2.gz RAZLEEYLZNYBIL-MCIONIFRSA-N 2 0 258.406 1.094 10 0 CDAERP O[C@@H](C[NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(F)cn1 ZINC000819267952 827528930 /nfs/dbraw/zinc/52/89/30/827528930.db2.gz OMWXGOPVHUCJAM-INIZCTEOSA-N 2 0 293.386 1.718 10 0 CDAERP COc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000125522134 827633310 /nfs/dbraw/zinc/63/33/10/827633310.db2.gz AURWNSMIVHFBPR-GFCCVEGCSA-N 2 0 277.368 1.304 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3N(C)C)C[C@H](C)O1 ZINC000931276424 827649787 /nfs/dbraw/zinc/64/97/87/827649787.db2.gz ICPBPYMNFPAKHF-OIUWERBSSA-N 2 0 252.402 1.682 10 0 CDAERP C[C@@H]1CC[N@H+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)C[C@H]1C[NH3+] ZINC000720876278 827709900 /nfs/dbraw/zinc/70/99/00/827709900.db2.gz ACFJFFLAAYEDAG-QKGCVVFFSA-N 2 0 252.402 1.861 10 0 CDAERP CN(C[C@@H]1CCC[N@@H+]1C)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000852920529 827710822 /nfs/dbraw/zinc/71/08/22/827710822.db2.gz CPYXPSNZTNTSJF-IRXDYDNUSA-N 2 0 294.487 1.639 10 0 CDAERP C([C@@H]1CC[C@@H](C2CC2)O1)N1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000715382335 827780793 /nfs/dbraw/zinc/78/07/93/827780793.db2.gz DJLWLCOZYDRSMW-QPSCCSFWSA-N 2 0 250.386 1.770 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000925785373 827833369 /nfs/dbraw/zinc/83/33/69/827833369.db2.gz KVIDBMPRGVJLGL-YQFWSFKMSA-N 2 0 288.439 1.490 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)CC[NH2+]C(C)(C)C ZINC000037633760 827837512 /nfs/dbraw/zinc/83/75/12/827837512.db2.gz RKYBWVSJKBZWRN-CYBMUJFWSA-N 2 0 271.449 1.857 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCOCC1CCC1 ZINC000926179027 827841966 /nfs/dbraw/zinc/84/19/66/827841966.db2.gz SKYNUCMEXNCXLU-YIONKMFJSA-N 2 0 252.402 1.733 10 0 CDAERP Cc1ccc2c(c1)[C@H]([NH2+]CCN1CCC([NH3+])CC1)CC2 ZINC000925810407 827873119 /nfs/dbraw/zinc/87/31/19/827873119.db2.gz NETUNFIJAFOWEP-QGZVFWFLSA-N 2 0 273.424 1.995 10 0 CDAERP [NH3+]C/C=C/CNC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000841855006 827875397 /nfs/dbraw/zinc/87/53/97/827875397.db2.gz IYSJGJWMRFNTQR-NSCUHMNNSA-N 2 0 294.443 1.598 10 0 CDAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925493380 827894602 /nfs/dbraw/zinc/89/46/02/827894602.db2.gz XDLBFFMLHXCSGM-PMPSAXMXSA-N 3 0 294.487 1.120 10 0 CDAERP CN(C[C@H]1CCC[N@@H+]1C)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000852920524 827899578 /nfs/dbraw/zinc/89/95/78/827899578.db2.gz CPYXPSNZTNTSJF-DLBZAZTESA-N 2 0 294.487 1.639 10 0 CDAERP C[C@@H]1C[N@H+](CCOCC(F)(F)F)CC[C@H]1C[NH3+] ZINC000251898475 827930594 /nfs/dbraw/zinc/93/05/94/827930594.db2.gz WFJMPIYRXORIJL-ZJUUUORDSA-N 2 0 254.296 1.482 10 0 CDAERP Cn1nccc1[C@@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923323206 828010519 /nfs/dbraw/zinc/01/05/19/828010519.db2.gz VNUNSJFDUUVHLE-CYBMUJFWSA-N 2 0 262.401 1.742 10 0 CDAERP CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+]C2[C@@H]3CC[C@H]2C[N@@H+](C)C3)C1 ZINC000925069588 828029762 /nfs/dbraw/zinc/02/97/62/828029762.db2.gz IKJCFDNFMLSEJJ-WHWZVRATSA-N 2 0 293.455 1.563 10 0 CDAERP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+][C@H]1CCCc2cccnc21 ZINC000925871975 828068130 /nfs/dbraw/zinc/06/81/30/828068130.db2.gz MUBQGRQDRZOKCQ-MYPMTAMASA-N 2 0 275.396 1.801 10 0 CDAERP C[C@@H]([NH2+]CC(C)(C)CS(C)(=O)=O)[C@H]1CCC[NH2+]C1 ZINC000723851526 828096952 /nfs/dbraw/zinc/09/69/52/828096952.db2.gz ZXNLHNAVKLIJHZ-NEPJUHHUSA-N 2 0 276.446 1.035 10 0 CDAERP CC[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)[C@H]1CCCOC1 ZINC000872022730 828144393 /nfs/dbraw/zinc/14/43/93/828144393.db2.gz ZBLGHFQLFWYEHP-HOTGVXAUSA-N 2 0 297.487 1.807 10 0 CDAERP C[C@H](NC(=[NH2+])NCCC[NH+]1CCCCCC1)C1CC1 ZINC000080852354 828210966 /nfs/dbraw/zinc/21/09/66/828210966.db2.gz WMBJJNVIXNCBGT-ZDUSSCGKSA-N 2 0 266.433 1.955 10 0 CDAERP [NH3+][C@@H]1CCCC[C@@H]1C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC001645879009 1167547908 /nfs/dbraw/zinc/54/79/08/1167547908.db2.gz AIHIEZZXVWDARP-UONOGXRCSA-N 2 0 279.428 1.496 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]CC[C@H](C)F)C1 ZINC001567151864 1168047212 /nfs/dbraw/zinc/04/72/12/1168047212.db2.gz ULNIHCNXLOSVPP-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP CCCC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001566602747 1168353670 /nfs/dbraw/zinc/35/36/70/1168353670.db2.gz MZHYSIBYHLAOHU-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP CC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001566633423 1168363199 /nfs/dbraw/zinc/36/31/99/1168363199.db2.gz OQTHZUDSRMKPNW-MSNYOWOLSA-N 2 0 293.455 1.875 10 0 CDAERP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](C)CC[C@@H](C)F ZINC001480865030 894157867 /nfs/dbraw/zinc/15/78/67/894157867.db2.gz YKZWEXHTDDZZEY-ZIAGYGMSSA-N 2 0 287.423 1.655 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001266308394 894324370 /nfs/dbraw/zinc/32/43/70/894324370.db2.gz VLYJJEAATRLAEJ-KGLIPLIRSA-N 2 0 267.417 1.461 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)CC1CC1 ZINC001480880634 895168258 /nfs/dbraw/zinc/16/82/58/895168258.db2.gz VUEWUDMQONSFRZ-HUUCEWRRSA-N 2 0 279.428 1.461 10 0 CDAERP CC[N@@H+]1CC[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001266518193 895198411 /nfs/dbraw/zinc/19/84/11/895198411.db2.gz WEQDCTQXOHEIJY-KBPBESRZSA-N 2 0 267.417 1.319 10 0 CDAERP CC[C@@H](C)C[NH2+]CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001567507563 1168820218 /nfs/dbraw/zinc/82/02/18/1168820218.db2.gz GPMHXUGULMSCIY-CYBMUJFWSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@H](C(=O)NC[C@H](C)[NH2+]CCCF)[NH+]1CCCCCC1 ZINC001266975680 896476254 /nfs/dbraw/zinc/47/62/54/896476254.db2.gz OXHLQTSWULNAPF-UONOGXRCSA-N 2 0 287.423 1.705 10 0 CDAERP CC[NH2+][C@H](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001267149651 896923177 /nfs/dbraw/zinc/92/31/77/896923177.db2.gz ZXGOEYPMZXQPAU-KGLIPLIRSA-N 2 0 269.433 1.755 10 0 CDAERP CN(CC[NH2+]CC1CCCCC1)C(=O)CCC[NH+](C)C ZINC001267421025 897878368 /nfs/dbraw/zinc/87/83/68/897878368.db2.gz PKQAMAFIHJAZQP-UHFFFAOYSA-N 2 0 283.460 1.957 10 0 CDAERP CN(CC[NH2+]CCC1CCCC1)C(=O)C1CC[NH+](C)CC1 ZINC001267422094 897883440 /nfs/dbraw/zinc/88/34/40/897883440.db2.gz CVWWHZIKPVAAMK-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)CC[NH2+]Cc1ccc(C)cc1 ZINC001267458574 897946123 /nfs/dbraw/zinc/94/61/23/897946123.db2.gz HTZCJFREENGAMF-UHFFFAOYSA-N 2 0 291.439 1.885 10 0 CDAERP CC(C)CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001481069330 898724270 /nfs/dbraw/zinc/72/42/70/898724270.db2.gz HQQRHQBDKIGXQT-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N[C@](C)(C[NH2+]CCC2CC2)C2CC2)C1 ZINC001267865709 899904457 /nfs/dbraw/zinc/90/44/57/899904457.db2.gz YPOBFMZFOCXCGG-RHSMWYFYSA-N 2 0 293.455 1.613 10 0 CDAERP CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001267940246 900011292 /nfs/dbraw/zinc/01/12/92/900011292.db2.gz HDMGNMVYKYLYLA-INIZCTEOSA-N 2 0 289.423 1.754 10 0 CDAERP CCCC[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)C(C)C ZINC001267969443 900118256 /nfs/dbraw/zinc/11/82/56/900118256.db2.gz IXUIRLGNBNHDLW-CQSZACIVSA-N 2 0 269.433 1.707 10 0 CDAERP CCCN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](CCOC)C1 ZINC001481411889 900584076 /nfs/dbraw/zinc/58/40/76/900584076.db2.gz LFEPVJXOZHMFRG-HNNXBMFYSA-N 2 0 297.443 1.042 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001481485169 900885652 /nfs/dbraw/zinc/88/56/52/900885652.db2.gz GFCZGZZSGZNZBI-GDBMZVCRSA-N 2 0 293.455 1.519 10 0 CDAERP C[C@@H](C[NH2+]CCc1ccccc1)N(C)C(=O)CC[NH+](C)C ZINC001268085767 901159141 /nfs/dbraw/zinc/15/91/41/901159141.db2.gz ULXNAJQHOFODLP-HNNXBMFYSA-N 2 0 291.439 1.617 10 0 CDAERP CCC[NH+]1CC(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001481668971 901763740 /nfs/dbraw/zinc/76/37/40/901763740.db2.gz ASTWVKXMMWJUFE-OAHLLOKOSA-N 2 0 281.444 1.565 10 0 CDAERP CC[NH2+]CCN(CC)C(=O)C12CCC[NH+](CCC1)C2 ZINC001268458767 902170865 /nfs/dbraw/zinc/17/08/65/902170865.db2.gz SEDPQWOMCMZDSN-UHFFFAOYSA-N 2 0 267.417 1.320 10 0 CDAERP CCC[NH2+]CC1(NC(=O)C2CC[NH+](C)CC2)CCCC1 ZINC001481906261 902295221 /nfs/dbraw/zinc/29/52/21/902295221.db2.gz VRTAUFWEHQNYHG-UHFFFAOYSA-N 2 0 281.444 1.757 10 0 CDAERP C[C@H](F)CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001268520943 902498669 /nfs/dbraw/zinc/49/86/69/902498669.db2.gz DXGKIMZLQJPIQF-LDIIPZEWSA-N 2 0 271.380 1.091 10 0 CDAERP CCCCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001482084597 902621921 /nfs/dbraw/zinc/62/19/21/902621921.db2.gz JPKCPGPZSRLPOO-ZIAGYGMSSA-N 2 0 269.433 1.613 10 0 CDAERP CC(C)[NH2+]C[C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001482100310 902643961 /nfs/dbraw/zinc/64/39/61/902643961.db2.gz CKLZHHXHAUAMGC-OCCSQVGLSA-N 2 0 267.417 1.079 10 0 CDAERP CCCC[NH2+]C[C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001482150679 902767269 /nfs/dbraw/zinc/76/72/69/902767269.db2.gz ZXTOXBNXHWAUEI-CQSZACIVSA-N 2 0 283.460 1.860 10 0 CDAERP C[C@H](C[NH2+]CCCCCF)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001268644868 902885605 /nfs/dbraw/zinc/88/56/05/902885605.db2.gz DBPVNEYRQYDMRD-HIFRSBDPSA-N 2 0 299.434 1.562 10 0 CDAERP CN(CCC[NH2+]CCCF)C(=O)C12CCC[NH+]1CCC2 ZINC001268805545 903146547 /nfs/dbraw/zinc/14/65/47/903146547.db2.gz ZPZOFDDSNOATJC-UHFFFAOYSA-N 2 0 285.407 1.413 10 0 CDAERP CC[N@H+](C)CCC(=O)NCC1C[NH+](CC2=CCCCC2)C1 ZINC001268892526 903214525 /nfs/dbraw/zinc/21/45/25/903214525.db2.gz WYJVZYCCDRISRX-UHFFFAOYSA-N 2 0 293.455 1.877 10 0 CDAERP CC(C)[NH+]1CC(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001268917099 903241892 /nfs/dbraw/zinc/24/18/92/903241892.db2.gz KNQQBGGJRCIKLZ-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001270437089 904636853 /nfs/dbraw/zinc/63/68/53/904636853.db2.gz VWHUUULYSNFTCQ-LSDHHAIUSA-N 2 0 281.444 1.779 10 0 CDAERP CCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001501083140 905171157 /nfs/dbraw/zinc/17/11/57/905171157.db2.gz DWDCEIWZVVYBIB-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP COCCCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001482432997 905390248 /nfs/dbraw/zinc/39/02/48/905390248.db2.gz IWRHSOXYMNVLOT-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP Cc1cncn1CC(=O)N[C@@H](C)CC[NH2+]CC1CCC1 ZINC001482854237 908431334 /nfs/dbraw/zinc/43/13/34/908431334.db2.gz ZIZXKEUDAKAMQH-LBPRGKRZSA-N 2 0 278.400 1.476 10 0 CDAERP CCCC[NH2+][C@@H](CC)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001567984758 1169108437 /nfs/dbraw/zinc/10/84/37/1169108437.db2.gz SLZLEULAFAJIJP-KGLIPLIRSA-N 2 0 269.433 1.613 10 0 CDAERP C[C@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H](C)[NH2+]CCC1CC1 ZINC001409395357 910373214 /nfs/dbraw/zinc/37/32/14/910373214.db2.gz ILHHEWOISQIJKO-STQMWFEESA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001483286240 910791481 /nfs/dbraw/zinc/79/14/81/910791481.db2.gz MWPBWGWYZRIYFC-UONOGXRCSA-N 2 0 271.449 1.713 10 0 CDAERP CC(C)=CC[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001483456276 911144404 /nfs/dbraw/zinc/14/44/04/911144404.db2.gz RKZQZYLYGNKDAK-CQSZACIVSA-N 2 0 267.417 1.485 10 0 CDAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1([NH2+]CC2CCC2)CC1 ZINC001483794880 915074697 /nfs/dbraw/zinc/07/46/97/915074697.db2.gz YCFYHCFGZUHIDZ-KBPBESRZSA-N 2 0 293.455 1.898 10 0 CDAERP CC[NH+]1CCC(C)(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001484144423 915459261 /nfs/dbraw/zinc/45/92/61/915459261.db2.gz DZEFRYUXPHHBQP-UHFFFAOYSA-N 2 0 279.428 1.320 10 0 CDAERP CCCC[N@@H+]1CCC[C@@](CO)(NC(=O)C[NH+](C)CCC)C1 ZINC001484447627 915786815 /nfs/dbraw/zinc/78/68/15/915786815.db2.gz KUNUZVWZEXCBML-MRXNPFEDSA-N 2 0 299.459 1.071 10 0 CDAERP CCCC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001484548727 915878902 /nfs/dbraw/zinc/87/89/02/915878902.db2.gz DUFQLLIVPUDKPK-GJZGRUSLSA-N 2 0 281.444 1.566 10 0 CDAERP COCCC[N@H+](C)CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001484756954 916147707 /nfs/dbraw/zinc/14/77/07/916147707.db2.gz GZLLYDJNBXODJC-UHFFFAOYSA-N 2 0 299.459 1.145 10 0 CDAERP CCC1([NH2+]CCF)CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001484810534 916180087 /nfs/dbraw/zinc/18/00/87/916180087.db2.gz AKWZSZOZQKBUHV-UHFFFAOYSA-N 2 0 299.434 1.801 10 0 CDAERP C[C@@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]CCC1CC1 ZINC001485002325 916367420 /nfs/dbraw/zinc/36/74/20/916367420.db2.gz YIBWMILKOAYVGQ-ZDUSSCGKSA-N 2 0 267.417 1.367 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH+](C)C(C)C ZINC001485390207 916942089 /nfs/dbraw/zinc/94/20/89/916942089.db2.gz XVNOSPVSBZYTHV-KBPBESRZSA-N 2 0 269.433 1.706 10 0 CDAERP COCC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001485441456 916971434 /nfs/dbraw/zinc/97/14/34/916971434.db2.gz NGMKJPUNJZJULX-HUUCEWRRSA-N 2 0 299.459 1.047 10 0 CDAERP CCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001495814149 936387983 /nfs/dbraw/zinc/38/79/83/936387983.db2.gz OIAHLORUUJVZSE-ZIAGYGMSSA-N 2 0 269.433 1.613 10 0 CDAERP C[C@H](NC(=O)CC[NH+](C)C)C1C[NH+](CC2CCC2)C1 ZINC001485523730 917063428 /nfs/dbraw/zinc/06/34/28/917063428.db2.gz UVAGGBYTFDJTFM-LBPRGKRZSA-N 2 0 267.417 1.175 10 0 CDAERP O=C(C[NH+]1CCCC1)NCC1[C@H]2C[N@H+](C/C=C/Cl)C[C@@H]12 ZINC001485627714 917145190 /nfs/dbraw/zinc/14/51/90/917145190.db2.gz OTGZMJDEMCTGLQ-RXVMTUIBSA-N 2 0 297.830 1.129 10 0 CDAERP C[C@@H](CN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH2+]CCO ZINC001485892026 920551896 /nfs/dbraw/zinc/55/18/96/920551896.db2.gz BAVOPMZQTMBIJW-ZDUSSCGKSA-N 2 0 299.459 1.068 10 0 CDAERP C[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H](CCO)c1ccccc1 ZINC000923317100 923731765 /nfs/dbraw/zinc/73/17/65/923731765.db2.gz YRRQMQRPWSIDRZ-HOTGVXAUSA-N 2 0 290.407 1.420 10 0 CDAERP Cc1cncc(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)c1 ZINC000923442325 923837996 /nfs/dbraw/zinc/83/79/96/923837996.db2.gz BAJCLUQOCKSIBG-OAHLLOKOSA-N 2 0 275.396 1.720 10 0 CDAERP CC(C)[C@@H](C(=O)N1CCC[C@H](C[NH2+]CCF)C1)[NH+](C)C ZINC001491184049 936870168 /nfs/dbraw/zinc/87/01/68/936870168.db2.gz DQGRUDZFRAIJDF-KGLIPLIRSA-N 2 0 287.423 1.370 10 0 CDAERP CC(C)C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001273182766 923885201 /nfs/dbraw/zinc/88/52/01/923885201.db2.gz DJXPJOPNKQCPKM-LSDHHAIUSA-N 2 0 299.459 1.095 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CCCC[N@@H+]1CC1CC1 ZINC001491235319 936881042 /nfs/dbraw/zinc/88/10/42/936881042.db2.gz CSYNIIKKUPXHLL-HNNXBMFYSA-N 2 0 279.428 1.463 10 0 CDAERP C[NH2+]C1CCN(C(=O)[C@@H]([NH3+])C2CCCCC2)CC1 ZINC001118261003 924061417 /nfs/dbraw/zinc/06/14/17/924061417.db2.gz MIBQOOGBOQTOTH-ZDUSSCGKSA-N 2 0 253.390 1.104 10 0 CDAERP CCCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001568370225 1169264283 /nfs/dbraw/zinc/26/42/83/1169264283.db2.gz YWHANJILFYGQLK-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP COCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+](C)C(C)C)C1 ZINC001491300024 936892177 /nfs/dbraw/zinc/89/21/77/936892177.db2.gz KZRWUEQZUJPTOX-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP CC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001491477666 936922608 /nfs/dbraw/zinc/92/26/08/936922608.db2.gz LLNOSLYIYGMNFI-TZMCWYRMSA-N 2 0 267.417 1.508 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCCC[C@H]2CC[NH2+]CCF)C1 ZINC001568397246 1169271538 /nfs/dbraw/zinc/27/15/38/1169271538.db2.gz WCQJYBDPTGUZAT-GJZGRUSLSA-N 2 0 299.434 1.659 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2C[NH+]1CC ZINC001489088909 926803917 /nfs/dbraw/zinc/80/39/17/926803917.db2.gz LHDWEHIHRKUPCS-FZKCQIBNSA-N 2 0 293.455 1.517 10 0 CDAERP C=C/C=C/CC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC001143146130 937125144 /nfs/dbraw/zinc/12/51/44/937125144.db2.gz YOJDWMPXVRMYBM-KXPUMZMLSA-N 2 0 293.455 1.993 10 0 CDAERP CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001411189793 927195204 /nfs/dbraw/zinc/19/52/04/927195204.db2.gz SKLXNUJZJVQIKD-HUUCEWRRSA-N 2 0 299.459 1.022 10 0 CDAERP COC[C@@H](C)[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001411225301 927265993 /nfs/dbraw/zinc/26/59/93/927265993.db2.gz QUFOUAGLPINXLU-OLZOCXBDSA-N 2 0 287.448 1.094 10 0 CDAERP CCC[NH+]1CCC(C[NH2+]Cc2cc(C)n[nH]2)CC1 ZINC001116019229 937427743 /nfs/dbraw/zinc/42/77/43/937427743.db2.gz UIGYWTJUYFIFAW-UHFFFAOYSA-N 2 0 250.390 1.930 10 0 CDAERP CC[C@H](C(=O)NC/C=C\C[NH2+]CC(C)C)[NH+](C)C ZINC001274507693 931504918 /nfs/dbraw/zinc/50/49/18/931504918.db2.gz GPFHEHWJXNNLPQ-MEJMFZKBSA-N 2 0 255.406 1.245 10 0 CDAERP CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001412525924 932467554 /nfs/dbraw/zinc/46/75/54/932467554.db2.gz BFKDARQFPOYDIQ-HOTGVXAUSA-N 2 0 295.471 1.907 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)[C@@H](C)CC[NH+](C)C ZINC001412530347 932470890 /nfs/dbraw/zinc/47/08/90/932470890.db2.gz SZTJIDAFBBAZPP-AWEZNQCLSA-N 2 0 271.449 1.620 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CSCCS1 ZINC000234792687 932605305 /nfs/dbraw/zinc/60/53/05/932605305.db2.gz JDQXZMQSUBFQKV-QWRGUYRKSA-N 2 0 264.460 1.179 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC(=O)Nc1ccccn1 ZINC000924833052 932824400 /nfs/dbraw/zinc/82/44/00/932824400.db2.gz OFHPPOLXGWQDLU-OCZCAGDBSA-N 2 0 288.395 1.340 10 0 CDAERP COCC1(C[NH2+][C@H]2CC[NH2+]C23CCCC3)CC[NH2+]CC1 ZINC000925700865 932928598 /nfs/dbraw/zinc/92/85/98/932928598.db2.gz SZHMAKXWBBFTNK-AWEZNQCLSA-N 3 0 281.444 1.267 10 0 CDAERP CCc1onc(C)c1C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000925890783 932949418 /nfs/dbraw/zinc/94/94/18/932949418.db2.gz RJCLYNNHILAQOX-TVYUQYBPSA-N 2 0 267.373 1.387 10 0 CDAERP CN(C[C@H]1CCC[N@@H+]1C)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC001119609049 937738602 /nfs/dbraw/zinc/73/86/02/937738602.db2.gz ZILJWRDEPQNQNJ-UTUOFQBUSA-N 2 0 294.365 1.139 10 0 CDAERP CC(C)[C@H](O)CC[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001413095221 935900682 /nfs/dbraw/zinc/90/06/82/935900682.db2.gz YOEPRKWKOPHXDL-MRXNPFEDSA-N 2 0 298.471 1.706 10 0 CDAERP CC[N@H+]1[C@H](C)CN(C(=O)C[NH+]2CC[C@@H](C)C2)C[C@@H]1C ZINC001163885603 939347038 /nfs/dbraw/zinc/34/70/38/939347038.db2.gz UHMCKNZDNWNBBB-MCIONIFRSA-N 2 0 267.417 1.269 10 0 CDAERP C[C@@H]1CCC[N@H+](C[C@@H](O)C(F)(F)F)[C@@H]1CC[NH3+] ZINC000404275687 940961000 /nfs/dbraw/zinc/96/10/00/940961000.db2.gz AOACKAXVRFBJED-OPRDCNLKSA-N 2 0 254.296 1.359 10 0 CDAERP CC(C)[C@H](C[NH2+][C@@H]1CO[C@H](C)[C@H]1C)N1CC[NH+](C)CC1 ZINC000405570078 940992338 /nfs/dbraw/zinc/99/23/38/940992338.db2.gz GKPUKFQTORRXDE-FPCVCCKLSA-N 2 0 283.460 1.271 10 0 CDAERP C[NH+](C)Cc1ccc(C(=O)N2CCC[C@@H]2C[NH+](C)C)cn1 ZINC001362033368 970800633 /nfs/dbraw/zinc/80/06/33/970800633.db2.gz UXNKXHWOGVMIQP-OAHLLOKOSA-N 2 0 290.411 1.309 10 0 CDAERP C[C@@H]1CC[C@@H](C[NH+]2CCC(O)(C[NH+]3CCCCC3)CC2)O1 ZINC001473877455 970875348 /nfs/dbraw/zinc/87/53/48/970875348.db2.gz VYNFSQFNLBZWRI-CVEARBPZSA-N 2 0 296.455 1.867 10 0 CDAERP CCC[NH2+]CC[C@H]1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001280274195 942427066 /nfs/dbraw/zinc/42/70/66/942427066.db2.gz MYETVLHWXDOVIF-RDJZCZTQSA-N 2 0 293.455 1.711 10 0 CDAERP CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CCO1 ZINC001280595676 942466075 /nfs/dbraw/zinc/46/60/75/942466075.db2.gz OADPGMKUAAADDR-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP CC[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)C(C)C ZINC001281966645 942639357 /nfs/dbraw/zinc/63/93/57/942639357.db2.gz AQAFTDVTVMKNPN-ZDUSSCGKSA-N 2 0 255.406 1.269 10 0 CDAERP CC(C)COCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001282444133 942713698 /nfs/dbraw/zinc/71/36/98/942713698.db2.gz KVOLTLWGTINXPI-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001283676545 942964413 /nfs/dbraw/zinc/96/44/13/942964413.db2.gz BBDOQUIFQFZVAV-KGLIPLIRSA-N 2 0 269.433 1.706 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)CC[NH+]2CC[C@@H](F)C2)C1 ZINC001362163353 970963948 /nfs/dbraw/zinc/96/39/48/970963948.db2.gz VMRXDHQKGWCUCK-ZIAGYGMSSA-N 2 0 285.407 1.267 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(CN(C)C)o2)CC[N@@H+]1C ZINC001362189054 970995205 /nfs/dbraw/zinc/99/52/05/970995205.db2.gz VBFBHYFGZXWKIB-OLZOCXBDSA-N 2 0 293.411 1.896 10 0 CDAERP CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001264366851 944114470 /nfs/dbraw/zinc/11/44/70/944114470.db2.gz MTGDIRJVFRIKBF-CYBMUJFWSA-N 2 0 267.417 1.413 10 0 CDAERP CCC[NH2+][C@@H]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001264477800 944141054 /nfs/dbraw/zinc/14/10/54/944141054.db2.gz UOWVTJPMFGVRSS-QWHCGFSZSA-N 2 0 255.406 1.223 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C2([NH+](C)C)CCCC2)C1 ZINC001362249690 971073291 /nfs/dbraw/zinc/07/32/91/971073291.db2.gz MOBAOYKUNDTHTK-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001265482994 944404788 /nfs/dbraw/zinc/40/47/88/944404788.db2.gz FXEUJBVIALILRH-KKUMJFAQSA-N 2 0 281.444 1.898 10 0 CDAERP CO[C@H](C)C[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001265845402 944538058 /nfs/dbraw/zinc/53/80/58/944538058.db2.gz MQAPKISAGQGFOQ-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+]CC1CCCC1 ZINC001265849568 944538878 /nfs/dbraw/zinc/53/88/78/944538878.db2.gz ZPVDBEVQDUMZDZ-CYBMUJFWSA-N 2 0 269.433 1.613 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]CC[C@H](C)F ZINC001265870003 944549283 /nfs/dbraw/zinc/54/92/83/944549283.db2.gz HKDJWWRHWHQBKC-RYUDHWBXSA-N 2 0 261.385 1.169 10 0 CDAERP CCC[NH2+]C[C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001265986739 944615684 /nfs/dbraw/zinc/61/56/84/944615684.db2.gz LRYBZMCYAYQVOK-HUUCEWRRSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]C/C=C\Cl)C1 ZINC001266032028 944643322 /nfs/dbraw/zinc/64/33/22/944643322.db2.gz OZKSFKQJZCLABJ-AGLBCWCQSA-N 2 0 287.835 1.519 10 0 CDAERP CCCC[N@H+](CC)CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001266042527 944650523 /nfs/dbraw/zinc/65/05/23/944650523.db2.gz GEHPQJXZCVQDHE-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC2(C)CC[NH+](C)CC2)C1 ZINC001362308654 971140850 /nfs/dbraw/zinc/14/08/50/971140850.db2.gz HZSMGCVGFQKOTB-LSDHHAIUSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C2([NH+](C)C)CCCC2)C1 ZINC001362390393 971221087 /nfs/dbraw/zinc/22/10/87/971221087.db2.gz SZFDFOKAEMJPQP-UONOGXRCSA-N 2 0 281.444 1.850 10 0 CDAERP CC(C)[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001479494998 971332473 /nfs/dbraw/zinc/33/24/73/971332473.db2.gz LKHNYOHGELWITM-UONOGXRCSA-N 2 0 269.433 1.610 10 0 CDAERP CC[C@@H](F)C[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001479789115 971417751 /nfs/dbraw/zinc/41/77/51/971417751.db2.gz LCTPYJQHZFUXAG-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP C[N@H+](CCCF)CCCNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001479810287 971431660 /nfs/dbraw/zinc/43/16/60/971431660.db2.gz KMASBPWRERRSQB-HNNXBMFYSA-N 2 0 285.407 1.270 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001479912520 971484307 /nfs/dbraw/zinc/48/43/07/971484307.db2.gz MQLYMICLQZJEJH-CQSZACIVSA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@H](C(=O)N1CC[C@](C)(C[NH2+]CCCF)C1)[NH+](C)C ZINC001278572902 950214640 /nfs/dbraw/zinc/21/46/40/950214640.db2.gz RDACZYYOACJDTD-UKRRQHHQSA-N 2 0 287.423 1.514 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@@H]1CC[C@@H](C[NH2+]CCCF)C1 ZINC001278614540 950465157 /nfs/dbraw/zinc/46/51/57/950465157.db2.gz YLMKMOXRKTVOID-ZIAGYGMSSA-N 2 0 285.407 1.316 10 0 CDAERP CC(C)COCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001480517094 971765620 /nfs/dbraw/zinc/76/56/20/971765620.db2.gz ANUFGDBYUSCHFZ-GJZGRUSLSA-N 2 0 299.459 1.238 10 0 CDAERP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+]Cc1cscn1 ZINC001480789682 971880729 /nfs/dbraw/zinc/88/07/29/971880729.db2.gz HIJPMFMZRGYNEL-LLVKDONJSA-N 2 0 284.429 1.079 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)CC[NH+]1CC[C@@H](F)C1 ZINC001363489365 953372296 /nfs/dbraw/zinc/37/22/96/953372296.db2.gz JGWSIEJMSKDFGZ-CYBMUJFWSA-N 2 0 287.423 1.657 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[C@@H]3C[C@@H](C)C[NH+]3C2)C1 ZINC001363590457 953505070 /nfs/dbraw/zinc/50/50/70/953505070.db2.gz DSRRMNLVFZYZEE-LVQVYYBASA-N 2 0 293.455 1.707 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001569152032 1169693710 /nfs/dbraw/zinc/69/37/10/1169693710.db2.gz STEDZUQKYIDPRP-ZIAGYGMSSA-N 2 0 267.417 1.341 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@](C)(C[NH2+]CCCF)C2)C1 ZINC001324825574 953593805 /nfs/dbraw/zinc/59/38/05/953593805.db2.gz FPPFDDXDPZEAJQ-UKRRQHHQSA-N 2 0 285.407 1.126 10 0 CDAERP c1cc(N2CCC([NH2+][C@H]3C[C@@H]4COC[C@@H]43)CC2)cc[nH+]1 ZINC001363688494 953653468 /nfs/dbraw/zinc/65/34/68/953653468.db2.gz METVOUYCRBUKLQ-KCXAZCMYSA-N 2 0 273.380 1.675 10 0 CDAERP CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1nccnc1C[NH3+] ZINC001363752473 953746772 /nfs/dbraw/zinc/74/67/72/953746772.db2.gz ZBAPSZCKXSGPRG-ZFWWWQNUSA-N 2 0 289.427 1.634 10 0 CDAERP CCCCC[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC001325778392 954070351 /nfs/dbraw/zinc/07/03/51/954070351.db2.gz GYBXRYPYGCDAAJ-IYBDPMFKSA-N 2 0 293.455 1.663 10 0 CDAERP CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001364014890 954126507 /nfs/dbraw/zinc/12/65/07/954126507.db2.gz KNQGLQJHSRTVSE-JYJNAYRXSA-N 2 0 293.455 1.659 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](CC[NH2+]C/C=C\Cl)C2)C1 ZINC001326430155 954377398 /nfs/dbraw/zinc/37/73/98/954377398.db2.gz IDPQOMNHAWOLRT-UJQMYZCJSA-N 2 0 299.846 1.519 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCCN(CCF)C2CC2)C1 ZINC001493434956 972048477 /nfs/dbraw/zinc/04/84/77/972048477.db2.gz FPMVPRBDVDHZAY-UKRRQHHQSA-N 2 0 299.434 1.657 10 0 CDAERP [NH3+]CCCCCCC[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC001328773735 955470812 /nfs/dbraw/zinc/47/08/12/955470812.db2.gz XFPCGQLLWMQDNL-YIONKMFJSA-N 2 0 254.418 1.988 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001329114481 955696269 /nfs/dbraw/zinc/69/62/69/955696269.db2.gz ZZRGYHSPZNLNEJ-QWHCGFSZSA-N 2 0 255.406 1.387 10 0 CDAERP CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCN(c2cc[nH+]cc2)C1 ZINC001365215376 955736274 /nfs/dbraw/zinc/73/62/74/955736274.db2.gz RAIHPKQAVONVGM-UKRRQHHQSA-N 2 0 288.395 1.118 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001492304853 955786842 /nfs/dbraw/zinc/78/68/42/955786842.db2.gz XMWCXNCBAJGEIG-STQMWFEESA-N 2 0 273.396 1.267 10 0 CDAERP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](C)OCC[C@H]2C)CC1 ZINC001365350065 955941522 /nfs/dbraw/zinc/94/15/22/955941522.db2.gz DOGZABYCEUNFSU-IAGOWNOFSA-N 2 0 297.487 1.902 10 0 CDAERP C[C@H](C[NH2+]Cc1ccccn1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001422487856 956081931 /nfs/dbraw/zinc/08/19/31/956081931.db2.gz LKIXHDDFDABJQA-UMVBOHGHSA-N 2 0 290.411 1.016 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)[C@H]([NH3+])C1CCCCC1 ZINC001329943259 956195032 /nfs/dbraw/zinc/19/50/32/956195032.db2.gz AWSUXLDWCIZOPP-CHWSQXEVSA-N 2 0 255.406 1.384 10 0 CDAERP CC(C)[NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001569233488 1169729950 /nfs/dbraw/zinc/72/99/50/1169729950.db2.gz MXAYFEHGMHIYTL-KBPBESRZSA-N 2 0 269.433 1.563 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CCCF)CC1(C)C ZINC001422792254 956356735 /nfs/dbraw/zinc/35/67/35/956356735.db2.gz WKUIHXWXMWKKML-CYBMUJFWSA-N 2 0 287.423 1.514 10 0 CDAERP C[N@H+](CCCF)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001365899097 956430450 /nfs/dbraw/zinc/43/04/50/956430450.db2.gz MRFZZVDWOAUGKQ-LSDHHAIUSA-N 2 0 299.434 1.753 10 0 CDAERP CC(C)[N@@H+]1CC[C@@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@H]12 ZINC001423345953 956731674 /nfs/dbraw/zinc/73/16/74/956731674.db2.gz HIJLTTKXNFZZAC-YOEHRIQHSA-N 2 0 293.455 1.850 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@]12CCC[C@H]1[NH+](CCCF)CC2 ZINC001423366922 956741721 /nfs/dbraw/zinc/74/17/21/956741721.db2.gz KZAQLSNJACVFNU-GDBMZVCRSA-N 2 0 299.434 1.801 10 0 CDAERP CCC[N@H+](C)CC(=O)NCCN(C)Cc1cncs1 ZINC001366585780 956993657 /nfs/dbraw/zinc/99/36/57/956993657.db2.gz YHTBOTQWUJCCPV-UHFFFAOYSA-N 2 0 284.429 1.033 10 0 CDAERP CC(C)CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001366760727 957168216 /nfs/dbraw/zinc/16/82/16/957168216.db2.gz KTZAYBXDSZZPRS-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP CCOCC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001316996070 957192655 /nfs/dbraw/zinc/19/26/55/957192655.db2.gz VCQGMLZHIBTHOZ-OAHLLOKOSA-N 2 0 297.443 1.089 10 0 CDAERP CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+][C@@H](C)COC)[NH+](C)C ZINC001424676289 957295978 /nfs/dbraw/zinc/29/59/78/957295978.db2.gz JAGAKUUOYPJMOK-SOUVJXGZSA-N 2 0 299.459 1.332 10 0 CDAERP CC[NH2+][C@H](C)[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001424782928 957356776 /nfs/dbraw/zinc/35/67/76/957356776.db2.gz GPMSASSBHCJMHZ-GHMZBOCLSA-N 2 0 274.368 1.759 10 0 CDAERP CC[C@H](C)C[NH+]1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001494589738 972264018 /nfs/dbraw/zinc/26/40/18/972264018.db2.gz FMCNIHQISKWNQE-LBPRGKRZSA-N 2 0 255.406 1.032 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CC=C(C)C)C[C@H]1C ZINC001332045098 957412845 /nfs/dbraw/zinc/41/28/45/957412845.db2.gz DPKBSXNZHMHEOH-HUUCEWRRSA-N 2 0 281.444 1.873 10 0 CDAERP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)C(C)C)[NH+](CC)CC ZINC001425005711 957430305 /nfs/dbraw/zinc/43/03/05/957430305.db2.gz BQCDACFOEOKXPW-KGLIPLIRSA-N 2 0 271.449 1.952 10 0 CDAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CC1CC1 ZINC001425548641 957564284 /nfs/dbraw/zinc/56/42/84/957564284.db2.gz BRNMCDZTMQGLNA-DZGCQCFKSA-N 2 0 281.444 1.706 10 0 CDAERP CC(C)[C@H](C(=O)N(C)CC[NH2+]Cc1ccns1)[NH+](C)C ZINC001317654076 957624698 /nfs/dbraw/zinc/62/46/98/957624698.db2.gz XKTUQZRHNVBZHJ-CYBMUJFWSA-N 2 0 298.456 1.277 10 0 CDAERP C[C@@H]1[C@@H]([NH2+]Cc2cncs2)CCN1C(=O)CC[NH+](C)C ZINC001425878643 957633526 /nfs/dbraw/zinc/63/35/26/957633526.db2.gz HBZCVPGVCFGMKL-YPMHNXCESA-N 2 0 296.440 1.174 10 0 CDAERP CC[C@H](C(=O)NC[C@H]([NH2+]C/C=C\Cl)C(C)C)[NH+](C)C ZINC001367474299 958039936 /nfs/dbraw/zinc/03/99/36/958039936.db2.gz RCNNKPPBCFJWJL-YMVSPQSISA-N 2 0 289.851 1.810 10 0 CDAERP COC[C@H](C)[N@H+]1CC=C(CNC(=O)CCC[NH+](C)C)CC1 ZINC001333389493 958301596 /nfs/dbraw/zinc/30/15/96/958301596.db2.gz BRIIFAONAWCGTL-AWEZNQCLSA-N 2 0 297.443 1.111 10 0 CDAERP COC[C@@H](C)[NH2+]C1CCC(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001371070048 972347195 /nfs/dbraw/zinc/34/71/95/972347195.db2.gz FGLHYFQFBAJIOH-WLYUNCDWSA-N 2 0 299.459 1.379 10 0 CDAERP CCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1CC ZINC001367928898 958477061 /nfs/dbraw/zinc/47/70/61/958477061.db2.gz ORKHAXLLRICKGT-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]CC1CC1 ZINC001367936851 958492449 /nfs/dbraw/zinc/49/24/49/958492449.db2.gz IXVRDKVJXQKMGS-HUUCEWRRSA-N 2 0 281.444 1.565 10 0 CDAERP CC1(NC(=O)C[NH+]2CCCC2)CC[NH+](C/C=C/Cl)CC1 ZINC001368127030 958653984 /nfs/dbraw/zinc/65/39/84/958653984.db2.gz FHGBHAAJKHZBPC-QPJJXVBHSA-N 2 0 299.846 1.805 10 0 CDAERP COCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001319618912 958658089 /nfs/dbraw/zinc/65/80/89/958658089.db2.gz HMSXCWIOGIZFFC-LSDHHAIUSA-N 2 0 299.459 1.238 10 0 CDAERP COCCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001319818977 958738818 /nfs/dbraw/zinc/73/88/18/958738818.db2.gz IPNVUDNMUPIARH-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001319860614 958759579 /nfs/dbraw/zinc/75/95/79/958759579.db2.gz HGELMPAMBMAEBU-CABCVRRESA-N 2 0 295.471 1.955 10 0 CDAERP CC[NH2+][C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C(C)C ZINC001319955165 958813606 /nfs/dbraw/zinc/81/36/06/958813606.db2.gz CJFZJUIFIRCTDG-OLZOCXBDSA-N 2 0 255.406 1.079 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001368497761 958902727 /nfs/dbraw/zinc/90/27/27/958902727.db2.gz KVABJTKVCIKQGF-XQLPTFJDSA-N 2 0 299.434 1.703 10 0 CDAERP CCCC[N@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001320081540 958925989 /nfs/dbraw/zinc/92/59/89/958925989.db2.gz ZTSGEFWUALBFJS-UHFFFAOYSA-N 2 0 255.406 1.273 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001368568439 958971635 /nfs/dbraw/zinc/97/16/35/958971635.db2.gz WWBPDBNGJNQEOO-ZIAGYGMSSA-N 2 0 287.423 1.467 10 0 CDAERP CC[NH2+]CC1(NC(=O)C[N@H+](C)CC(C)(C)C)CCOCC1 ZINC001368637761 959008930 /nfs/dbraw/zinc/00/89/30/959008930.db2.gz UQUVYIUXKGUHDF-UHFFFAOYSA-N 2 0 299.459 1.239 10 0 CDAERP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCC1CC1 ZINC001368716357 959074300 /nfs/dbraw/zinc/07/43/00/959074300.db2.gz MPDJLNSEZOOGGF-GZBFAFLISA-N 2 0 281.444 1.611 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]CCC1CCOCC1 ZINC001368874131 959213921 /nfs/dbraw/zinc/21/39/21/959213921.db2.gz WWXMEJDWDNXMDE-UONOGXRCSA-N 2 0 299.459 1.238 10 0 CDAERP Cc1nocc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001368894437 959232776 /nfs/dbraw/zinc/23/27/76/959232776.db2.gz NNBXMFTTZIDEDX-NWDGAFQWSA-N 2 0 296.415 1.306 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H](C)CC[NH2+]CCF)[NH+](C)C ZINC001320614320 959275289 /nfs/dbraw/zinc/27/52/89/959275289.db2.gz LDSGIROHDAULPQ-NEPJUHHUSA-N 2 0 261.385 1.027 10 0 CDAERP C[C@@H](CC[NH2+]CCF)NC(=O)CC[NH+]1CCCCC1 ZINC001320643986 959294227 /nfs/dbraw/zinc/29/42/27/959294227.db2.gz IQQTTXAHURTMIB-ZDUSSCGKSA-N 2 0 273.396 1.316 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CCCF ZINC001368948482 959315588 /nfs/dbraw/zinc/31/55/88/959315588.db2.gz FHKYXYHELJNIIV-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001369161976 959495935 /nfs/dbraw/zinc/49/59/35/959495935.db2.gz WJINRMXAZDDMMV-QKDCVEJESA-N 2 0 279.428 1.176 10 0 CDAERP CN(C(=O)CC[NH+](C)C)C1CC([NH2+]Cc2ccccn2)C1 ZINC001369575861 959770068 /nfs/dbraw/zinc/77/00/68/959770068.db2.gz WIEUPYZMTOSAJN-UHFFFAOYSA-N 2 0 290.411 1.112 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCCF ZINC001321757105 959935899 /nfs/dbraw/zinc/93/58/99/959935899.db2.gz VUSCKHJCDVDNNJ-OLZOCXBDSA-N 2 0 273.396 1.315 10 0 CDAERP CC(C)C[NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001370268748 960034181 /nfs/dbraw/zinc/03/41/81/960034181.db2.gz XDHLLOLLAZMKJT-AWEZNQCLSA-N 2 0 279.428 1.223 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cncs2)C1 ZINC001370666722 960177656 /nfs/dbraw/zinc/17/76/56/960177656.db2.gz QTHAPCGKLZXANE-TXEJJXNPSA-N 2 0 296.440 1.222 10 0 CDAERP CCC(CC)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001370715778 960185920 /nfs/dbraw/zinc/18/59/20/960185920.db2.gz VZILMDITBGPLNG-QLFBSQMISA-N 2 0 283.460 2.000 10 0 CDAERP C[C@H](F)CC[NH2+]CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001322544322 960255578 /nfs/dbraw/zinc/25/55/78/960255578.db2.gz VXMQCHLCWSLDTG-ZDUSSCGKSA-N 2 0 287.423 1.657 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC001433617329 960455517 /nfs/dbraw/zinc/45/55/17/960455517.db2.gz QFAIVZMIBPNRTK-JONQDZQNSA-N 2 0 293.455 1.850 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)CC1 ZINC001433744884 960576128 /nfs/dbraw/zinc/57/61/28/960576128.db2.gz GOSHZFHEGMMPNR-INIZCTEOSA-N 2 0 295.471 1.907 10 0 CDAERP Cc1cc(CN2CCC[C@H]2CNC(=O)CC[NH+](C)C)no1 ZINC001418605937 960790305 /nfs/dbraw/zinc/79/03/05/960790305.db2.gz AAMLEPGQWMMIEC-AWEZNQCLSA-N 2 0 294.399 1.015 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]CCCF)CCN1C(=O)CCC[NH+](C)C ZINC001324082748 961158489 /nfs/dbraw/zinc/15/84/89/961158489.db2.gz SQTSEISBJWRVJK-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@H]2C[NH2+]CCF)C1 ZINC001324212165 961234092 /nfs/dbraw/zinc/23/40/92/961234092.db2.gz CUKAXAKXZWJELF-CABCVRRESA-N 2 0 299.434 1.659 10 0 CDAERP CC[C@H](C)C[NH+]1CC(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001419044431 961297063 /nfs/dbraw/zinc/29/70/63/961297063.db2.gz VJYFPYLUPCLXOD-HNNXBMFYSA-N 2 0 295.471 1.957 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001419063170 961329014 /nfs/dbraw/zinc/32/90/14/961329014.db2.gz WIABRFVIJQUTNX-HNNXBMFYSA-N 2 0 275.396 1.329 10 0 CDAERP CC[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]C/C=C/Cl ZINC001419236595 961538398 /nfs/dbraw/zinc/53/83/98/961538398.db2.gz BGCXBPMTOBQUBA-LOWFTVKWSA-N 2 0 287.835 1.565 10 0 CDAERP C[C@@H]1OCC[C@H]1C[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001434510090 961586360 /nfs/dbraw/zinc/58/63/60/961586360.db2.gz QDNYLABVRSVPBI-HOTGVXAUSA-N 2 0 296.455 1.724 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001419479562 961748303 /nfs/dbraw/zinc/74/83/03/961748303.db2.gz QSSJHMQUOXWGNO-KBPBESRZSA-N 2 0 299.434 1.705 10 0 CDAERP C[C@H]([NH2+]CCC1CC1)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001419835093 962143485 /nfs/dbraw/zinc/14/34/85/962143485.db2.gz TYTOBTNCOQBVDZ-GOEBONIOSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cncs1 ZINC001419902151 962214336 /nfs/dbraw/zinc/21/43/36/962214336.db2.gz LNSOPZUHPFUOAW-CYBMUJFWSA-N 2 0 298.456 1.325 10 0 CDAERP CCC[N@@H+]1CCCC[C@@H]1C(=O)NCc1c[nH]c(CC)n1 ZINC001419970562 962309009 /nfs/dbraw/zinc/30/90/09/962309009.db2.gz CLNBEYISVHRTLC-CYBMUJFWSA-N 2 0 278.400 1.853 10 0 CDAERP C[N@H+](CCF)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001436841031 962451000 /nfs/dbraw/zinc/45/10/00/962451000.db2.gz MBJBUZIBTQLTLJ-GJZGRUSLSA-N 2 0 299.434 1.611 10 0 CDAERP C[C@H](C[NH2+]Cc1cncs1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001420290695 962692271 /nfs/dbraw/zinc/69/22/71/962692271.db2.gz IEQHQWQKPYIZPS-NQBHXWOUSA-N 2 0 296.440 1.078 10 0 CDAERP COc1ccc(C[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C)cc1 ZINC001420341742 962766351 /nfs/dbraw/zinc/76/63/51/962766351.db2.gz VKJTWDURFUELTQ-CYBMUJFWSA-N 2 0 293.411 1.241 10 0 CDAERP Cc1cnc(C[NH2+][C@H](C)CCNC(=O)[C@@H]2CCC[N@@H+]2C)o1 ZINC001437377860 962851311 /nfs/dbraw/zinc/85/13/11/962851311.db2.gz VPSAAXPXLRXLKR-YPMHNXCESA-N 2 0 294.399 1.062 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2CCCC[NH+]2C)C1 ZINC001420449877 962917805 /nfs/dbraw/zinc/91/78/05/962917805.db2.gz MMPHZNWBKMHUGT-HUUCEWRRSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H](F)CC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001420469414 962945047 /nfs/dbraw/zinc/94/50/47/962945047.db2.gz KCDITKIHKUYBRO-DZGCQCFKSA-N 2 0 299.434 1.799 10 0 CDAERP C[C@@H](C[N@H+](C)CC[C@@H]1CCCO1)NC(=O)C[NH+]1CCCC1 ZINC001420656275 963164408 /nfs/dbraw/zinc/16/44/08/963164408.db2.gz DQRWKPXFVLSRII-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001420882433 963326918 /nfs/dbraw/zinc/32/69/18/963326918.db2.gz FDFGJAUYXRAJNE-HUUCEWRRSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1([NH2+]CCF)CC1 ZINC001421007505 963412203 /nfs/dbraw/zinc/41/22/03/963412203.db2.gz VMWKVVTVNPJVBY-RYUDHWBXSA-N 2 0 271.380 1.067 10 0 CDAERP CC[NH2+]Cc1ccc(CNC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001438445763 963450171 /nfs/dbraw/zinc/45/01/71/963450171.db2.gz KAVRHGUPQARWGH-MRXNPFEDSA-N 2 0 289.423 1.754 10 0 CDAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]Cc1ccccc1 ZINC001438548257 963483721 /nfs/dbraw/zinc/48/37/21/963483721.db2.gz QCWPBWYRMHSLNE-OAHLLOKOSA-N 2 0 289.423 1.624 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC2(C[NH+](CCCF)C2)CC1 ZINC001438619228 963497522 /nfs/dbraw/zinc/49/75/22/963497522.db2.gz CHQHWBYEDYWLIY-UHFFFAOYSA-N 2 0 299.434 1.611 10 0 CDAERP COC[C@H](C)[N@@H+]1CCC[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001421280661 963532098 /nfs/dbraw/zinc/53/20/98/963532098.db2.gz AQRCLSSIIJLLBY-HOCLYGCPSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCC2CC2)[C@@H](C)C1 ZINC001438777366 963547481 /nfs/dbraw/zinc/54/74/81/963547481.db2.gz RQQDASJDGWWMDB-GOEBONIOSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cccnc1 ZINC001421436436 963606747 /nfs/dbraw/zinc/60/67/47/963606747.db2.gz GSAQDHMMODCINK-CQSZACIVSA-N 2 0 278.400 1.018 10 0 CDAERP CC[C@@H](F)C[N@H+](C)C[C@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001439334880 963726476 /nfs/dbraw/zinc/72/64/76/963726476.db2.gz XUNVLEWNKQPTAX-QWHCGFSZSA-N 2 0 287.423 1.655 10 0 CDAERP CC(C)C[NH2+]C[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001439479500 963770940 /nfs/dbraw/zinc/77/09/40/963770940.db2.gz LWFVHNMPPRNSED-DZGCQCFKSA-N 2 0 281.444 1.469 10 0 CDAERP CN(C(=O)C[N@H+](C)C1CCC1)C1C[NH+](CC2CCCC2)C1 ZINC001439725882 963846442 /nfs/dbraw/zinc/84/64/42/963846442.db2.gz UXKZXAFQJZXJTN-UHFFFAOYSA-N 2 0 293.455 1.804 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC2(C1)CC[NH+](CC1CC1)CC2 ZINC001440241632 963954615 /nfs/dbraw/zinc/95/46/15/963954615.db2.gz OPZLBUGLPUXRLG-UHFFFAOYSA-N 2 0 293.455 1.663 10 0 CDAERP CC[C@@H](C(=O)N1CCCC[C@H]1C[N@H+](C)C[C@@H](C)O)[NH+](C)C ZINC001440520537 964101195 /nfs/dbraw/zinc/10/11/95/964101195.db2.gz OZKXINHYMGFOID-ILXRZTDVSA-N 2 0 299.459 1.020 10 0 CDAERP CO[C@H](C)C[N@H+](C)CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001479804595 964270251 /nfs/dbraw/zinc/27/02/51/964270251.db2.gz ZGJBAQNOIYDFTI-OAHLLOKOSA-N 2 0 299.459 1.191 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001569383097 1169837912 /nfs/dbraw/zinc/83/79/12/1169837912.db2.gz KSEOKHHKCOABOQ-BWPKMQGJSA-N 2 0 279.428 1.629 10 0 CDAERP C[C@@H](F)CC[N@H+](C)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001440999820 964318464 /nfs/dbraw/zinc/31/84/64/964318464.db2.gz KCAIJFOITOLAPT-CHWSQXEVSA-N 2 0 285.407 1.267 10 0 CDAERP O=C(CCn1ccnc1)N[C@H]1C[C@H]([NH2+]CC2CCCC2)C1 ZINC001441410198 964503120 /nfs/dbraw/zinc/50/31/20/964503120.db2.gz WWSZFWLLIGJXBY-SHTZXODSSA-N 2 0 290.411 1.700 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@H]2C[C@@H]([NH2+]CCF)C2)CCCCC1 ZINC001441502069 964557568 /nfs/dbraw/zinc/55/75/68/964557568.db2.gz ASGUSRKTFXQFEZ-OKILXGFUSA-N 2 0 299.434 1.705 10 0 CDAERP CCC[N@@H+]1CC[C@@]2(NC(=O)[C@@H](CC)[NH+](C)C)CCC[C@H]12 ZINC001441858699 964752343 /nfs/dbraw/zinc/75/23/43/964752343.db2.gz DSAKSDXTOXCPJV-YCPHGPKFSA-N 2 0 281.444 1.850 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001442556380 965113002 /nfs/dbraw/zinc/11/30/02/965113002.db2.gz HBGADOVWRPTPIR-AWEZNQCLSA-N 2 0 287.423 1.514 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001442810354 965222874 /nfs/dbraw/zinc/22/28/74/965222874.db2.gz XHIZDZSSGBNZMF-LSDHHAIUSA-N 2 0 281.444 1.851 10 0 CDAERP C[C@H](F)CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001443070732 965342106 /nfs/dbraw/zinc/34/21/06/965342106.db2.gz KCPLFZOBCZVOPR-QWHCGFSZSA-N 2 0 285.407 1.267 10 0 CDAERP C[N@H+](CCF)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001443323629 965438613 /nfs/dbraw/zinc/43/86/13/965438613.db2.gz GQIVDAMPDHIJBD-UONOGXRCSA-N 2 0 285.407 1.221 10 0 CDAERP CC[C@@H](C)C[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001443329922 965441580 /nfs/dbraw/zinc/44/15/80/965441580.db2.gz CZKSATVFCJPWMX-CVEARBPZSA-N 2 0 295.471 1.909 10 0 CDAERP CCN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](CC2CC2)C1 ZINC001443865629 965639156 /nfs/dbraw/zinc/63/91/56/965639156.db2.gz BTXVRPRKRCWSEC-HNNXBMFYSA-N 2 0 279.428 1.415 10 0 CDAERP CC(C)=CC[NH2+]C1(CNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001569423981 1169877129 /nfs/dbraw/zinc/87/71/29/1169877129.db2.gz NPZISFSITYNQPE-UHFFFAOYSA-N 2 0 293.455 1.923 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CCF)C1 ZINC001444808749 965956496 /nfs/dbraw/zinc/95/64/96/965956496.db2.gz AFCSJXXWZXJMBP-KGLIPLIRSA-N 2 0 287.423 1.513 10 0 CDAERP CC(C)[NH+](C)CC(=O)N[C@H](C)C[N@H+](C)Cc1cccnc1 ZINC001445866179 966370965 /nfs/dbraw/zinc/37/09/65/966370965.db2.gz DGCDUXASAPGIFK-CQSZACIVSA-N 2 0 292.427 1.358 10 0 CDAERP CCC(CC)[NH2+]CCNC(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001349517309 966373642 /nfs/dbraw/zinc/37/36/42/966373642.db2.gz IKRNWKPKYLOKDW-NWANDNLSSA-N 2 0 296.459 1.404 10 0 CDAERP CC(C)[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCCC1 ZINC001446491073 966556072 /nfs/dbraw/zinc/55/60/72/966556072.db2.gz RDVABYJVBXQPQO-FVQBIDKESA-N 2 0 295.471 2.000 10 0 CDAERP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1ccns1 ZINC001447907304 966925640 /nfs/dbraw/zinc/92/56/40/966925640.db2.gz RMIQCLHEAMPVDW-QWRGUYRKSA-N 2 0 284.429 1.078 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[N@H+](C)C[C@@H]1CC(C)(C)CO1 ZINC001448082959 966989423 /nfs/dbraw/zinc/98/94/23/966989423.db2.gz INBBBBHDSRLRES-KBPBESRZSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001449017810 967335231 /nfs/dbraw/zinc/33/52/31/967335231.db2.gz QJSFQIDMRFPOAD-GJZGRUSLSA-N 2 0 293.455 1.707 10 0 CDAERP O=C(CC[N@H+]1CC[C@H](F)C1)NC[C@H]1CCCC[NH+]1C1CC1 ZINC001449065673 967352423 /nfs/dbraw/zinc/35/24/23/967352423.db2.gz MVMOETATLJTANS-DZGCQCFKSA-N 2 0 297.418 1.553 10 0 CDAERP CCC[N@H+](C)CCN(C(=O)C[NH+]1CC[C@H](C)C1)C(C)C ZINC001449263993 967406143 /nfs/dbraw/zinc/40/61/43/967406143.db2.gz BOIYCKPPCZPZSV-HNNXBMFYSA-N 2 0 283.460 1.907 10 0 CDAERP CCOC(=O)/C=C\C[N@@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC001459632025 969442664 /nfs/dbraw/zinc/44/26/64/969442664.db2.gz XCKMXQWYFGCCFY-ZPIQOJFGSA-N 2 0 298.427 1.538 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H](C)CC[NH+](C)C)C1 ZINC001465565986 969884037 /nfs/dbraw/zinc/88/40/37/969884037.db2.gz HFBOYUNCRQNBJP-KBPBESRZSA-N 2 0 269.433 1.517 10 0 CDAERP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001468456488 970165770 /nfs/dbraw/zinc/16/57/70/970165770.db2.gz YIMHAWFRXKXLCJ-LXTVHRRPSA-N 2 0 281.444 1.658 10 0 CDAERP C[C@@H](C[NH2+]CC1CC1)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001496081236 972786986 /nfs/dbraw/zinc/78/69/86/972786986.db2.gz SWVHHZZYBMSUHT-DZGCQCFKSA-N 2 0 281.444 1.707 10 0 CDAERP CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C(C)C ZINC001496575597 972976730 /nfs/dbraw/zinc/97/67/30/972976730.db2.gz PZKJBSBDTVJERA-CABCVRRESA-N 2 0 283.460 1.857 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+](CC3CCC3)C2)C1 ZINC001372658645 973069235 /nfs/dbraw/zinc/06/92/35/973069235.db2.gz HJDAZGJKUCSQMN-HOCLYGCPSA-N 2 0 293.455 1.566 10 0 CDAERP C[C@H](CC[NH2+]C/C=C/Cl)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001497188338 973237071 /nfs/dbraw/zinc/23/70/71/973237071.db2.gz HZCJVUUJTSNISB-NPXAJTFRSA-N 2 0 299.846 1.565 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001373379958 973405972 /nfs/dbraw/zinc/40/59/72/973405972.db2.gz QLQCLUCJHKLQBW-HUUCEWRRSA-N 2 0 281.444 1.850 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)NC/C=C\C[NH2+]CC2CC2)CC1 ZINC001497713638 973474531 /nfs/dbraw/zinc/47/45/31/973474531.db2.gz QZSHCJNAYOPLFD-ARJAWSKDSA-N 2 0 293.455 1.779 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCOC2CCC2)C1 ZINC001417957588 973497870 /nfs/dbraw/zinc/49/78/70/973497870.db2.gz ZIWFJMBUOGBHPW-CQSZACIVSA-N 2 0 297.443 1.086 10 0 CDAERP C[C@H](C[NH2+]CCCCCF)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001497884429 973563794 /nfs/dbraw/zinc/56/37/94/973563794.db2.gz WWBKNFWOPDCHPC-KGLIPLIRSA-N 2 0 287.423 1.705 10 0 CDAERP Cc1ncc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2C)o1 ZINC001418242186 973692966 /nfs/dbraw/zinc/69/29/66/973692966.db2.gz FZMBLNVZRQOMAR-BXUZGUMPSA-N 2 0 294.399 1.062 10 0 CDAERP Cc1cc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCCC[N@@H+]2C)on1 ZINC001418247595 973694299 /nfs/dbraw/zinc/69/42/99/973694299.db2.gz PKMVQXDVEREKRJ-OCCSQVGLSA-N 2 0 294.399 1.062 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+]C/C(Cl)=C/Cl ZINC001374080437 973767433 /nfs/dbraw/zinc/76/74/33/973767433.db2.gz XWNUJDHHEDNESU-CHPNCVJKSA-N 2 0 296.242 1.599 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CC[NH+](C)C ZINC001498490242 973946780 /nfs/dbraw/zinc/94/67/80/973946780.db2.gz NOLMJRCVTFWHML-KBPBESRZSA-N 2 0 269.433 1.613 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@@]2(CC[N@H+](C/C=C/Cl)C2)C1 ZINC001499611468 974275663 /nfs/dbraw/zinc/27/56/63/974275663.db2.gz ZZJHQKJYVMDFGT-NKPGBKMFSA-N 2 0 299.846 1.615 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@](C)(C[NH2+]C(C)C)C2)CC[N@@H+]1C ZINC001500348037 974425894 /nfs/dbraw/zinc/42/58/94/974425894.db2.gz RHTNQDDYRRKOFH-ZMSDIMECSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001500383833 974429746 /nfs/dbraw/zinc/42/97/46/974429746.db2.gz HAVIYNFIAGYHAZ-XJKSGUPXSA-N 2 0 292.427 1.825 10 0 CDAERP CC(C)CCC[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001501230134 974552655 /nfs/dbraw/zinc/55/26/55/974552655.db2.gz UGJUSQAOKZJWQL-IYBDPMFKSA-N 2 0 295.471 1.765 10 0 CDAERP CC(C)[NH2+]CC[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001501619343 974608692 /nfs/dbraw/zinc/60/86/92/974608692.db2.gz SYIFCGCUEROFDH-CABCVRRESA-N 2 0 281.444 1.565 10 0 CDAERP CCC(CC)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001376351530 974637661 /nfs/dbraw/zinc/63/76/61/974637661.db2.gz HXTYIAZCFDGLCE-HNNXBMFYSA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccns2)C1)[NH+](C)C ZINC001376474833 974669619 /nfs/dbraw/zinc/66/96/19/974669619.db2.gz FPMVGFWVBFTZET-LOWVWBTDSA-N 2 0 296.440 1.220 10 0 CDAERP CC[C@H](F)C[N@@H+]1CCC[C@H](CNC(=O)Cc2ncc[nH]2)C1 ZINC001376533380 974681567 /nfs/dbraw/zinc/68/15/67/974681567.db2.gz UEHLMMXJRHIYMW-OLZOCXBDSA-N 2 0 296.390 1.529 10 0 CDAERP CCCC[N@H+](C)CCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001502245548 974718255 /nfs/dbraw/zinc/71/82/55/974718255.db2.gz DNOQIZWHAFBYAE-INIZCTEOSA-N 2 0 295.471 1.909 10 0 CDAERP CN(CCC[N@H+](C)CC1CC1)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001502390604 974731292 /nfs/dbraw/zinc/73/12/92/974731292.db2.gz LEVVRPJSMSXSGX-HNNXBMFYSA-N 2 0 281.444 1.519 10 0 CDAERP CN(CCC[N@H+](C)C/C=C/Cl)C(=O)C[NH+]1CCCC1 ZINC001502396937 974732418 /nfs/dbraw/zinc/73/24/18/974732418.db2.gz KGOZPCOLSMMJAD-FNORWQNLSA-N 2 0 287.835 1.615 10 0 CDAERP CCC[NH2+]C1(CC)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001502505848 974745944 /nfs/dbraw/zinc/74/59/44/974745944.db2.gz AUEZHGOTSWQVPU-UHFFFAOYSA-N 2 0 269.433 1.709 10 0 CDAERP CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CC[C@@H](C)F)C1)[NH+](C)C ZINC001502680955 974761169 /nfs/dbraw/zinc/76/11/69/974761169.db2.gz VFFSPLVWLMFEHD-MCIONIFRSA-N 2 0 287.423 1.655 10 0 CDAERP C[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)CC1CC(C)(C)C1 ZINC001377251174 974946957 /nfs/dbraw/zinc/94/69/57/974946957.db2.gz PGFUMIDCMRZCGI-AWEZNQCLSA-N 2 0 295.471 1.812 10 0 CDAERP Cc1c(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CCF)ccc2c[nH+]cn21 ZINC001505640830 974947803 /nfs/dbraw/zinc/94/78/03/974947803.db2.gz KQYNKSBNVNRWFN-MNOVXSKESA-N 2 0 292.358 1.709 10 0 CDAERP C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH+](C)CCCF ZINC001505937549 975051197 /nfs/dbraw/zinc/05/11/97/975051197.db2.gz HIDCBQPFHIPXQK-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)CCC[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001506056156 975103087 /nfs/dbraw/zinc/10/30/87/975103087.db2.gz BFWWELCMRIJRIT-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP O=C(NCC[C@@H]1CC[N@@H+](CCF)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001377702348 975116076 /nfs/dbraw/zinc/11/60/76/975116076.db2.gz WUVFUQRJSXAQKL-HIFRSBDPSA-N 2 0 297.418 1.126 10 0 CDAERP CC(C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001506797090 975224795 /nfs/dbraw/zinc/22/47/95/975224795.db2.gz XDKPHNNSKFALGZ-FPCVCCKLSA-N 2 0 293.455 1.563 10 0 CDAERP CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001506853831 975235855 /nfs/dbraw/zinc/23/58/55/975235855.db2.gz KMTUTGFWEAQNOE-ZNMIVQPWSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]C(C)C)C1)[NH+](C)C ZINC001506897072 975251324 /nfs/dbraw/zinc/25/13/24/975251324.db2.gz IREMARWKNCZCDR-AVGNSLFASA-N 2 0 255.406 1.219 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]CC2CC2)C1 ZINC001506903583 975253263 /nfs/dbraw/zinc/25/32/63/975253263.db2.gz MQYNLILKRMDOHO-HDJSIYSDSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@@H](CCC[NH2+]CCCF)NC(=O)C12CC[NH+](CC1)C2 ZINC001506945778 975269161 /nfs/dbraw/zinc/26/91/61/975269161.db2.gz HIKGRZCQSRHSQX-ZDUSSCGKSA-N 2 0 285.407 1.316 10 0 CDAERP CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001507000922 975281518 /nfs/dbraw/zinc/28/15/18/975281518.db2.gz HEJYQNBBUNOOHI-UONOGXRCSA-N 2 0 267.417 1.317 10 0 CDAERP CC[C@H](C(=O)N(CC)[C@@H]1CC[N@H+](CC2CC2)C1)[NH+](C)C ZINC001378221355 975293992 /nfs/dbraw/zinc/29/39/92/975293992.db2.gz YAGCXRMCGMIWOP-HUUCEWRRSA-N 2 0 281.444 1.659 10 0 CDAERP CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]C/C=C/Cl ZINC001378323645 975330058 /nfs/dbraw/zinc/33/00/58/975330058.db2.gz XOBBJWPUVZWKHD-MJRJWQSSSA-N 2 0 285.819 1.319 10 0 CDAERP CCCN(C(=O)C[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CC)C1 ZINC001404452653 975396849 /nfs/dbraw/zinc/39/68/49/975396849.db2.gz XQDMLHPUSRGOGZ-CABCVRRESA-N 2 0 281.444 1.661 10 0 CDAERP CC(C)CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001507289518 975399499 /nfs/dbraw/zinc/39/94/99/975399499.db2.gz KAVWQAJCPOBBKH-HUUCEWRRSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2)CN1C(=O)CC[NH+](C)C ZINC001507318122 975413371 /nfs/dbraw/zinc/41/33/71/975413371.db2.gz IBPKKYCESMIWFI-GDBMZVCRSA-N 2 0 289.423 1.717 10 0 CDAERP C[C@H]1C[C@H]([NH2+]CC2CCCC2)CN1C(=O)CC[NH+](C)C ZINC001507319880 975414342 /nfs/dbraw/zinc/41/43/42/975414342.db2.gz LJAPJVCONWHCSU-ZFWWWQNUSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[N@H+](CC2CC2)CC1(C)C)[NH+](C)C ZINC001378656859 975431422 /nfs/dbraw/zinc/43/14/22/975431422.db2.gz VWVRSSHCBPOXKB-KBPBESRZSA-N 2 0 281.444 1.563 10 0 CDAERP CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001378736412 975464609 /nfs/dbraw/zinc/46/46/09/975464609.db2.gz ZYBFDQHUJNVAAL-ZSOGYDGISA-N 2 0 279.428 1.032 10 0 CDAERP CC[C@H](C)C[NH+]1CC(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001404910270 975536412 /nfs/dbraw/zinc/53/64/12/975536412.db2.gz UQGJNCKBMKSRBY-KBPBESRZSA-N 2 0 281.444 1.422 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCCCC1 ZINC001404977955 975569352 /nfs/dbraw/zinc/56/93/52/975569352.db2.gz BCJVAHDCBFXLCE-HOTGVXAUSA-N 2 0 293.455 1.804 10 0 CDAERP CC[NH2+]CCOCCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001508177566 975629677 /nfs/dbraw/zinc/62/96/77/975629677.db2.gz GHYRPNPDYFUWBY-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N(C)C[C@H]2CC[NH+]2CC2CC2)C1 ZINC001397561235 975631344 /nfs/dbraw/zinc/63/13/44/975631344.db2.gz AEWIOLQJDZWDGN-DZGCQCFKSA-N 2 0 279.428 1.271 10 0 CDAERP CC[C@H](C(=O)N(C)CC[N@H+](C)CC1CCCC1)[NH+](C)C ZINC001379071911 975639841 /nfs/dbraw/zinc/63/98/41/975639841.db2.gz FLLTXAGTYOMBQH-OAHLLOKOSA-N 2 0 283.460 1.907 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001389376858 975791847 /nfs/dbraw/zinc/79/18/47/975791847.db2.gz QLQCLUCJHKLQBW-LSDHHAIUSA-N 2 0 281.444 1.850 10 0 CDAERP CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](C(C)C)C1)[NH+]1CCCC1 ZINC001389515338 975880932 /nfs/dbraw/zinc/88/09/32/975880932.db2.gz ZUCGBNDNUBTKLQ-HUUCEWRRSA-N 2 0 281.444 1.706 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)C[NH+](C)CCOC)C1 ZINC001401777854 975902544 /nfs/dbraw/zinc/90/25/44/975902544.db2.gz CMVDRVRLJHQSNG-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP O=C(NC[C@@H]([NH2+]CC1CC1)C1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001389608570 975928938 /nfs/dbraw/zinc/92/89/38/975928938.db2.gz JJOMGZAVMICRMT-JKSUJKDBSA-N 2 0 291.439 1.223 10 0 CDAERP CC(C)CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H]1C ZINC001379572280 975932986 /nfs/dbraw/zinc/93/29/86/975932986.db2.gz QNWVGJYJBFLGGG-HUUCEWRRSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]([NH2+]CC2CC2)C2CC2)C1 ZINC001398455543 975994470 /nfs/dbraw/zinc/99/44/70/975994470.db2.gz QGAAQSUURHWORB-IUODEOHRSA-N 2 0 279.428 1.223 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CCC(C)C)C2)CC[N@@H+]1C ZINC001398495379 976007749 /nfs/dbraw/zinc/00/77/49/976007749.db2.gz ZZWXXOOKENPBQC-HRCADAONSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001379679083 976008310 /nfs/dbraw/zinc/00/83/10/976008310.db2.gz ABEBKBSPSIGUBG-LSDHHAIUSA-N 2 0 283.460 1.857 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001389878863 976030804 /nfs/dbraw/zinc/03/08/04/976030804.db2.gz BDSMTIYNQLCBFN-XGUBFFRZSA-N 2 0 281.444 1.611 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001389908947 976041260 /nfs/dbraw/zinc/04/12/60/976041260.db2.gz QYPONFHSJHJDIW-RBSFLKMASA-N 2 0 299.434 1.847 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC[C@@H](C)F)C1 ZINC001389974258 976070638 /nfs/dbraw/zinc/07/06/38/976070638.db2.gz GKZQBRSEORLGBF-APIJFGDWSA-N 2 0 299.434 1.846 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001398612668 976073863 /nfs/dbraw/zinc/07/38/63/976073863.db2.gz DCUWOHKSHZCTLA-UPJWGTAASA-N 2 0 285.407 1.313 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001379871598 976110384 /nfs/dbraw/zinc/11/03/84/976110384.db2.gz KUIRSJFSWTZXQO-CQSZACIVSA-N 2 0 279.428 1.367 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CC[NH+]1CCCF ZINC001379989333 976169099 /nfs/dbraw/zinc/16/90/99/976169099.db2.gz XNDLDFIZLIRGEC-ZIAGYGMSSA-N 2 0 285.407 1.411 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001402217610 976183102 /nfs/dbraw/zinc/18/31/02/976183102.db2.gz HZRKJBBCESTEFR-LSDHHAIUSA-N 2 0 281.444 1.565 10 0 CDAERP CCC[N@@H+]1CCC[C@@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001402222641 976185683 /nfs/dbraw/zinc/18/56/83/976185683.db2.gz KAISENWCPVFHBR-INIZCTEOSA-N 2 0 281.444 1.711 10 0 CDAERP C[C@@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001406452540 976196154 /nfs/dbraw/zinc/19/61/54/976196154.db2.gz FEEVEHROZMDIAB-JSGCOSHPSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)C[NH2+]C1CCC(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001390285535 976200407 /nfs/dbraw/zinc/20/04/07/976200407.db2.gz VDILAFFZLDOHGP-UHFFFAOYSA-N 2 0 283.460 2.000 10 0 CDAERP CCc1ccc(C[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C)cc1 ZINC001406510030 976229115 /nfs/dbraw/zinc/22/91/15/976229115.db2.gz FWVHQPLKQNJRPD-AWEZNQCLSA-N 2 0 291.439 1.795 10 0 CDAERP C[C@H](NC(=O)C[NH+]1CCCC1)C1CC[NH+](CCCF)CC1 ZINC001380146672 976262295 /nfs/dbraw/zinc/26/22/95/976262295.db2.gz RKPFHIWZYDKPBG-AWEZNQCLSA-N 2 0 299.434 1.659 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]CC2CCC2)CC[N@@H+]1C ZINC001390384229 976270747 /nfs/dbraw/zinc/27/07/47/976270747.db2.gz ZCTKQUHSXNYFCM-VHDGCEQUSA-N 2 0 281.444 1.611 10 0 CDAERP Cc1cccnc1C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001390558657 976365796 /nfs/dbraw/zinc/36/57/96/976365796.db2.gz ULROQSVDURQONT-AWEZNQCLSA-N 2 0 290.411 1.032 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ocnc2C)C1 ZINC001402638371 976414784 /nfs/dbraw/zinc/41/47/84/976414784.db2.gz WKEBSDLQWVNGBI-BETUJISGSA-N 2 0 294.399 1.062 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001402638575 976418462 /nfs/dbraw/zinc/41/84/62/976418462.db2.gz XLDSGDHFKBXMMK-AIANPOQGSA-N 2 0 293.455 1.755 10 0 CDAERP CN(CCC[N@H+](C)CCF)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001402651078 976424850 /nfs/dbraw/zinc/42/48/50/976424850.db2.gz CQSZPFNQBPSOQB-ZDUSSCGKSA-N 2 0 273.396 1.078 10 0 CDAERP C[C@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC1CCC1 ZINC001390711692 976448484 /nfs/dbraw/zinc/44/84/84/976448484.db2.gz GFXRYRLKCBCXPQ-CYBMUJFWSA-N 2 0 279.428 1.367 10 0 CDAERP CCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001402755890 976465506 /nfs/dbraw/zinc/46/55/06/976465506.db2.gz RHXDFZKRQARRSS-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001406897787 976466639 /nfs/dbraw/zinc/46/66/39/976466639.db2.gz GMBMGGUKKXWTNO-CHWSQXEVSA-N 2 0 271.380 1.021 10 0 CDAERP CN(CCC[N@H+](C)C[C@H]1CCCOC1)C(=O)CC[NH+](C)C ZINC001380971865 976634698 /nfs/dbraw/zinc/63/46/98/976634698.db2.gz QDAWJBBLASUGEX-OAHLLOKOSA-N 2 0 299.459 1.145 10 0 CDAERP CC[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001407535326 976691681 /nfs/dbraw/zinc/69/16/81/976691681.db2.gz LYTJGNJLOUQTEJ-CABCVRRESA-N 2 0 281.444 1.566 10 0 CDAERP CC[C@H](F)C[N@H+](C)[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001403169451 976778437 /nfs/dbraw/zinc/77/84/37/976778437.db2.gz LGLXATMZIBACNY-STQMWFEESA-N 2 0 287.423 1.513 10 0 CDAERP C[C@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)[NH2+]C/C=C\Cl ZINC001381437452 976824595 /nfs/dbraw/zinc/82/45/95/976824595.db2.gz KTTLLBCFOKVLFT-QGILPKKRSA-N 2 0 285.819 1.318 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001391381457 976847633 /nfs/dbraw/zinc/84/76/33/976847633.db2.gz WUZQHZIHQQSTNO-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP Cc1cccc(C[NH+]2CC(CNC(=O)CC[NH+](C)C)C2)c1 ZINC001391497232 976917924 /nfs/dbraw/zinc/91/79/24/976917924.db2.gz PMHYBGGESMZKOM-UHFFFAOYSA-N 2 0 289.423 1.495 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[N@H+](CC2CCCC2)CC1(C)C ZINC001403383503 976924160 /nfs/dbraw/zinc/92/41/60/976924160.db2.gz NLIUMYDYEJVRPQ-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](F)C[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001400226157 976938662 /nfs/dbraw/zinc/93/86/62/976938662.db2.gz FQCRRHZAUYRTFI-KBPBESRZSA-N 2 0 287.423 1.467 10 0 CDAERP CC[C@H](C[N@@H+]1CCC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1)OC ZINC001400292960 976967541 /nfs/dbraw/zinc/96/75/41/976967541.db2.gz OQZHONJNVSHFRO-RRFJBIMHSA-N 2 0 299.459 1.332 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001391572407 976969107 /nfs/dbraw/zinc/96/91/07/976969107.db2.gz CGUXLIXISJYHCI-CABCVRRESA-N 2 0 299.434 1.801 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]C/C=C/Cl ZINC001391689642 977047064 /nfs/dbraw/zinc/04/70/64/977047064.db2.gz GAOYUOXBCQHXRX-DFIPAEPRSA-N 2 0 287.835 1.564 10 0 CDAERP C[C@H](F)CC[NH+]1CC(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001400523345 977075297 /nfs/dbraw/zinc/07/52/97/977075297.db2.gz LAXPEQFZADBSLY-ZDUSSCGKSA-N 2 0 299.434 1.514 10 0 CDAERP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H](C[NH2+]CC1CC1)C1CC1 ZINC001382022205 977124780 /nfs/dbraw/zinc/12/47/80/977124780.db2.gz WNWCWQSCNJQLOM-JKSUJKDBSA-N 2 0 293.455 1.707 10 0 CDAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]CC1CCCC1 ZINC001391957223 977161955 /nfs/dbraw/zinc/16/19/55/977161955.db2.gz GRJZIKYJJHGLJE-CQSZACIVSA-N 2 0 281.444 1.614 10 0 CDAERP CCC(CC)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001382161242 977195518 /nfs/dbraw/zinc/19/55/18/977195518.db2.gz KSWJSAPKOMMQCR-UKRRQHHQSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]C/C=C\Cl)CN1C(=O)C12CC[NH+](CC1)C2 ZINC001382310742 977244720 /nfs/dbraw/zinc/24/47/20/977244720.db2.gz HGPMTYMEBFZJQQ-UVCYKKNVSA-N 2 0 297.830 1.414 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001392880388 977637010 /nfs/dbraw/zinc/63/70/10/977637010.db2.gz SHZSERCFYFUXLD-CABCVRRESA-N 2 0 299.434 1.801 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC(C)([NH2+]CC(C)C)CC1 ZINC001393748815 977907748 /nfs/dbraw/zinc/90/77/48/977907748.db2.gz RRXILYAOHWGPCK-UHFFFAOYSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[NH+]1CC([C@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001394231416 978113136 /nfs/dbraw/zinc/11/31/36/978113136.db2.gz VLRQJAFNVRUOML-DZGCQCFKSA-N 2 0 281.444 1.706 10 0 CDAERP CC(C)N(CC[N@H+](C)C(C)C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001394798490 978263087 /nfs/dbraw/zinc/26/30/87/978263087.db2.gz MZKKQWBCRNSEBX-HUUCEWRRSA-N 2 0 283.460 1.904 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001674233567 1173926221 /nfs/dbraw/zinc/92/62/21/1173926221.db2.gz UTRFMUHFCOUJDX-CABCVRRESA-N 2 0 281.444 1.779 10 0 CDAERP CCOCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001570526419 1170177455 /nfs/dbraw/zinc/17/74/55/1170177455.db2.gz SYPKNBONEPHGTC-CABCVRRESA-N 2 0 297.443 1.040 10 0 CDAERP CCCC[NH2+][C@@H](C)[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001571002809 1170328291 /nfs/dbraw/zinc/32/82/91/1170328291.db2.gz UKEXAWSGNIRFHU-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)[C@H](C[NH2+]CCF)C1 ZINC001656566745 1171844701 /nfs/dbraw/zinc/84/47/01/1171844701.db2.gz GKABSJDYFATYMU-ILXRZTDVSA-N 2 0 299.434 1.657 10 0 CDAERP CSC1(C[NH2+]Cc2cc(C)no2)CC[NH+](C)CC1 ZINC000601126118 342471589 /nfs/dbraw/zinc/47/15/89/342471589.db2.gz YWCAJPAILIOJBI-UHFFFAOYSA-N 2 0 269.414 1.900 10 0 CDAERP [NH3+]CC1(CC[NH2+]Cc2cnc(N3CCCC3)nc2)CC1 ZINC000650712555 398155907 /nfs/dbraw/zinc/15/59/07/398155907.db2.gz JZXHBPNBRBIIFW-UHFFFAOYSA-N 2 0 275.400 1.295 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCC2(C[NH3+])CC2)[C@@H]2CCC[C@@H]21 ZINC000650746959 398173605 /nfs/dbraw/zinc/17/36/05/398173605.db2.gz OKVRPKNDTJZKIK-IHRRRGAJSA-N 3 0 251.418 1.578 10 0 CDAERP C[C@H]1CN(Cc2[nH+]c(NN)ccc2Cl)CC[N@@H+]1C ZINC000082484854 178055678 /nfs/dbraw/zinc/05/56/78/178055678.db2.gz GZULWWNBHYPOOA-VIFPVBQESA-N 2 0 269.780 1.157 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCCc2c1ccc(=O)n2C ZINC000650764673 398185834 /nfs/dbraw/zinc/18/58/34/398185834.db2.gz IQLCEDKWLVXDIY-OCCSQVGLSA-N 2 0 293.411 1.106 10 0 CDAERP CCC[NH+]1CCC([N@H+](C)CCOC2CCOCC2)CC1 ZINC000625208984 342041090 /nfs/dbraw/zinc/04/10/90/342041090.db2.gz PXEKHJGAQGFGBR-UHFFFAOYSA-N 2 0 284.444 1.988 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)CC(=O)NCC(C)(C)C)[C@@H](C)C1 ZINC000625257214 342057853 /nfs/dbraw/zinc/05/78/53/342057853.db2.gz XYKONWNXOMZPPC-KBPBESRZSA-N 2 0 283.460 1.811 10 0 CDAERP [NH3+]CCN1CC[NH2+][C@H](c2cncc3ccccc32)C1 ZINC000616601974 361818900 /nfs/dbraw/zinc/81/89/00/361818900.db2.gz JYLKCOICIIWNMF-HNNXBMFYSA-N 2 0 256.353 1.140 10 0 CDAERP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N(C)CC2CC2)CC1 ZINC000590786154 342597009 /nfs/dbraw/zinc/59/70/09/342597009.db2.gz DEBKVOCDWVIEDK-UHFFFAOYSA-N 2 0 295.471 1.907 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000617012619 342604552 /nfs/dbraw/zinc/60/45/52/342604552.db2.gz FAONTDPNFBJVTH-MCIONIFRSA-N 2 0 281.444 1.848 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CNC(=O)NCCC[NH+](C)CC(C)C ZINC000650909253 398262239 /nfs/dbraw/zinc/26/22/39/398262239.db2.gz PTIIPTOFOKVGKA-HNNXBMFYSA-N 2 0 298.475 1.748 10 0 CDAERP [NH3+]CCN1CCC[C@H](c2cnnc3ccccc32)C1 ZINC000616621948 342119765 /nfs/dbraw/zinc/11/97/65/342119765.db2.gz WFISYXVRRRGSPF-LBPRGKRZSA-N 2 0 256.353 1.768 10 0 CDAERP CCOC[C@H]1C[N@H+](CCC[NH3+])C[C@@H]1C(F)(F)F ZINC000409436034 342169379 /nfs/dbraw/zinc/16/93/79/342169379.db2.gz XTQWZAWLROAUJY-ZJUUUORDSA-N 2 0 254.296 1.482 10 0 CDAERP C[NH+]1CCC2(CN(C(=O)OC(C)(C)C)C[C@H]2[NH3+])CC1 ZINC000096945887 185136082 /nfs/dbraw/zinc/13/60/82/185136082.db2.gz TVNGJEDAFMQLCR-LLVKDONJSA-N 2 0 269.389 1.276 10 0 CDAERP C[C@H]1C[C@]2(C[NH+]=C(N)N2Cc2ccccc2)CC[N@@H+]1C ZINC000157229398 342188970 /nfs/dbraw/zinc/18/89/70/342188970.db2.gz VCVWUGPVFUTDQG-BBRMVZONSA-N 2 0 272.396 1.670 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CC2(CC(=O)OC)CC2)[C@H](C)C1 ZINC000440774922 361921896 /nfs/dbraw/zinc/92/18/96/361921896.db2.gz ZTKASGIEXXLTFA-KGLIPLIRSA-N 2 0 282.428 1.992 10 0 CDAERP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CCOCCC[NH3+])CC2)C1 ZINC000629399960 361936791 /nfs/dbraw/zinc/93/67/91/361936791.db2.gz NFEHZBDJWQFUDY-RDJZCZTQSA-N 3 0 297.487 1.985 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000629400139 361937452 /nfs/dbraw/zinc/93/74/52/361937452.db2.gz OTJAZPZDFZUJQT-UHFFFAOYSA-N 2 0 280.397 1.389 10 0 CDAERP CC(C)[C@@H]1CC[C@@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000353454425 539097826 /nfs/dbraw/zinc/09/78/26/539097826.db2.gz KAKBNDVHAMTFDG-GJZGRUSLSA-N 2 0 253.434 1.648 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000594926795 342973214 /nfs/dbraw/zinc/97/32/14/342973214.db2.gz YQLYUQDDQCMEGT-YNEHKIRRSA-N 2 0 254.374 1.260 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000594946438 342981183 /nfs/dbraw/zinc/98/11/83/342981183.db2.gz PQHLOAUHYPSDSR-REWJHTLYSA-N 2 0 268.401 1.506 10 0 CDAERP C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000335906730 362027302 /nfs/dbraw/zinc/02/73/02/362027302.db2.gz RYGZYMYPWREPIB-QWHCGFSZSA-N 2 0 287.407 1.184 10 0 CDAERP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCOC2CCOCC2)C1 ZINC000629510881 362125494 /nfs/dbraw/zinc/12/54/94/362125494.db2.gz WJJGKOIMXGWHPA-QWHCGFSZSA-N 2 0 256.390 1.241 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000629529101 362155559 /nfs/dbraw/zinc/15/55/59/362155559.db2.gz RQXBQAIMKACCAR-CQSZACIVSA-N 2 0 288.395 1.759 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)c1ccc(OC)cc1OC ZINC000629528861 362155708 /nfs/dbraw/zinc/15/57/08/362155708.db2.gz LNVIVDYGRXWWMG-GFCCVEGCSA-N 2 0 282.384 1.590 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000629530981 362160434 /nfs/dbraw/zinc/16/04/34/362160434.db2.gz WRXWUUALNJAZAU-RBSFLKMASA-N 2 0 270.417 1.407 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000629531771 362162504 /nfs/dbraw/zinc/16/25/04/362162504.db2.gz XQKIPLVDNAVEGD-RRFJBIMHSA-N 3 0 269.433 1.123 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)[C@H](C)O1 ZINC000631218529 362203323 /nfs/dbraw/zinc/20/33/23/362203323.db2.gz MXOINTACESCCNM-TYNCELHUSA-N 2 0 272.352 1.923 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC000250517019 349862356 /nfs/dbraw/zinc/86/23/56/349862356.db2.gz QYBJTFRMIOCXAB-GJZGRUSLSA-N 2 0 296.459 1.500 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000250496434 344041399 /nfs/dbraw/zinc/04/13/99/344041399.db2.gz JIULGTUUUOHTQF-HZSPNIEDSA-N 2 0 267.417 1.350 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CC[NH2+]C1CC1 ZINC000251873117 344060072 /nfs/dbraw/zinc/06/00/72/344060072.db2.gz UEXGZAGDXJZNSV-OCCSQVGLSA-N 2 0 265.401 1.214 10 0 CDAERP C[NH+](C)CC[C@H](NC(=O)[C@H]1CC[C@H]([NH3+])C1)C(C)(C)C ZINC000262665965 344696630 /nfs/dbraw/zinc/69/66/30/344696630.db2.gz JVONLBDXDQLUOS-AVGNSLFASA-N 2 0 269.433 1.596 10 0 CDAERP C[N@H+]1CC=C(C[NH2+]Cc2cnnn2Cc2ccccc2)CC1 ZINC000291817832 530047607 /nfs/dbraw/zinc/04/76/07/530047607.db2.gz YZCBJRZFDUDUJD-UHFFFAOYSA-N 2 0 297.406 1.678 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CC2CCC2)CC1 ZINC000173714238 530052703 /nfs/dbraw/zinc/05/27/03/530052703.db2.gz FMZRSWRLWWWTCJ-MRXNPFEDSA-N 2 0 265.445 1.888 10 0 CDAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)N[C@H]1CCC[NH+](C)C1 ZINC000604643587 344912236 /nfs/dbraw/zinc/91/22/36/344912236.db2.gz QQZKWJPDNRBBLJ-KBPBESRZSA-N 2 0 282.432 1.064 10 0 CDAERP CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000063122337 282393834 /nfs/dbraw/zinc/39/38/34/282393834.db2.gz RRSRDWYBVXJOMJ-UONOGXRCSA-N 2 0 267.417 1.304 10 0 CDAERP C[N@H+](C[C@@H](O)Cc1ccccc1)C[C@@H]1CCc2nccn2C1 ZINC000328653045 345422058 /nfs/dbraw/zinc/42/20/58/345422058.db2.gz WSHLJZKGFROIKP-IRXDYDNUSA-N 2 0 299.418 1.981 10 0 CDAERP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079510580 362644802 /nfs/dbraw/zinc/64/48/02/362644802.db2.gz OHVSJTVDKKZKMD-DZGCQCFKSA-N 2 0 269.433 1.755 10 0 CDAERP CN1Cc2ccccc2[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000623240758 345743353 /nfs/dbraw/zinc/74/33/53/345743353.db2.gz VEFRSIWWNRFFNG-CRNXPOROSA-N 2 0 299.418 1.677 10 0 CDAERP CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CC[N@H+](C)C1 ZINC000617554901 345850845 /nfs/dbraw/zinc/85/08/45/345850845.db2.gz LZQWEYCNVAFKDV-INIZCTEOSA-N 2 0 289.423 1.914 10 0 CDAERP C[C@H](Cn1cccn1)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623355343 346082159 /nfs/dbraw/zinc/08/21/59/346082159.db2.gz KHEDAPUGGJBFAE-OLZOCXBDSA-N 2 0 250.390 1.734 10 0 CDAERP C[NH+](C)[C@@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)C1CC1 ZINC000623363282 346090991 /nfs/dbraw/zinc/09/09/91/346090991.db2.gz LAMKZTLBNCNUGD-KGLIPLIRSA-N 2 0 253.434 1.789 10 0 CDAERP C[N@@H+]1CC[C@H](NCCC[NH+]2CCC(O)CC2)CC1(C)C ZINC000623373157 346108696 /nfs/dbraw/zinc/10/86/96/346108696.db2.gz UAJGHSQBZVOAGC-AWEZNQCLSA-N 2 0 283.460 1.296 10 0 CDAERP COCCC[NH+]1CCC(N[C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623396042 346153770 /nfs/dbraw/zinc/15/37/70/346153770.db2.gz HEOLGDHCBPPLSO-INIZCTEOSA-N 2 0 297.487 1.950 10 0 CDAERP CCN1CCC([N@H+](C)CCCC[C@@](C)(O)C[NH3+])CC1 ZINC000085301120 179010073 /nfs/dbraw/zinc/01/00/73/179010073.db2.gz AJOZWGVBQRZUKD-OAHLLOKOSA-N 2 0 271.449 1.283 10 0 CDAERP C[N@H+](CCC[C@@](C)(O)C[NH3+])CCc1ccncc1 ZINC000085300464 179010642 /nfs/dbraw/zinc/01/06/42/179010642.db2.gz LWPFNYWLJKQSDJ-CQSZACIVSA-N 2 0 251.374 1.046 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(CCCC[C@](C)(O)C[NH3+])CC1 ZINC000085302171 179011452 /nfs/dbraw/zinc/01/14/52/179011452.db2.gz CTUSMANKPGKQNN-CABCVRRESA-N 2 0 271.449 1.283 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000571560843 362680364 /nfs/dbraw/zinc/68/03/64/362680364.db2.gz QLCDGAWBLGSMPH-CHWSQXEVSA-N 2 0 253.390 1.104 10 0 CDAERP [NH3+][C@H]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000085369324 179039227 /nfs/dbraw/zinc/03/92/27/179039227.db2.gz OZCOZTAOCFZJIE-KKUMJFAQSA-N 2 0 279.428 1.591 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)CCCn1ccnc1 ZINC000104259217 346468041 /nfs/dbraw/zinc/46/80/41/346468041.db2.gz MGYSDKPVROWCFT-CQSZACIVSA-N 2 0 278.400 1.654 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3n[nH]cc3C2)CC1(C)C ZINC000623425999 346475969 /nfs/dbraw/zinc/47/59/69/346475969.db2.gz XPDWPGXIVMXXBU-OLZOCXBDSA-N 2 0 262.401 1.729 10 0 CDAERP CCC1(CC)C[N@H+](CCOCCOC)[C@@H](C)CC[NH2+]1 ZINC000085628037 179107338 /nfs/dbraw/zinc/10/73/38/179107338.db2.gz HDOIGRMJZHNCEN-AWEZNQCLSA-N 2 0 272.433 1.892 10 0 CDAERP CC[C@@]1(C)C[N@H+](CCCn2ccnc2)CCC[NH2+]1 ZINC000085616724 179103742 /nfs/dbraw/zinc/10/37/42/179103742.db2.gz JAKJICWFIDLOHF-AWEZNQCLSA-N 2 0 250.390 1.737 10 0 CDAERP CC(C)[C@@H]1C[N@H+](CCn2cccn2)[C@@H](C)CC[NH2+]1 ZINC000085618187 179104262 /nfs/dbraw/zinc/10/42/62/179104262.db2.gz ARDACKFEIVNLHA-KBPBESRZSA-N 2 0 250.390 1.592 10 0 CDAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000263307450 362763860 /nfs/dbraw/zinc/76/38/60/362763860.db2.gz YAZRFGHGGRCKHG-AGVGLQIMSA-N 2 0 266.307 1.277 10 0 CDAERP C[C@@H]1CCCC[C@@H]1OCC[NH2+]CC1CC[NH+](CCO)CC1 ZINC000075602802 346760800 /nfs/dbraw/zinc/76/08/00/346760800.db2.gz RYPIDEMZCIOCHU-WBVHZDCISA-N 2 0 298.471 1.876 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000352054850 362811579 /nfs/dbraw/zinc/81/15/79/362811579.db2.gz IPFDEYLZHSACTR-UONOGXRCSA-N 2 0 279.428 1.604 10 0 CDAERP CC(C)(C)[C@H]1CN([C@@H]2CC[N@@H+](C3CC3)C2)CC[NH2+]1 ZINC000086145988 179238389 /nfs/dbraw/zinc/23/83/89/179238389.db2.gz ICFMEAKFJPJODN-ZIAGYGMSSA-N 2 0 251.418 1.543 10 0 CDAERP CC[C@H]1C[NH2+][C@H](C(C)C)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086172094 179244002 /nfs/dbraw/zinc/24/40/02/179244002.db2.gz MBOYHUBKKBMNNG-ZNMIVQPWSA-N 2 0 253.434 1.789 10 0 CDAERP C[C@H]1C[C@H]([NH2+]Cc2ccc(-n3cncn3)cc2)CC[N@@H+]1C ZINC000174516464 365894428 /nfs/dbraw/zinc/89/44/28/365894428.db2.gz RYZACCLNXGPRFQ-DZGCQCFKSA-N 2 0 285.395 1.840 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000623565498 347635154 /nfs/dbraw/zinc/63/51/54/347635154.db2.gz PGUHWXSDFDTDBK-MELADBBJSA-N 2 0 280.416 1.007 10 0 CDAERP CCC[N@@H+]1CC[C@H](N[C@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623572668 347639401 /nfs/dbraw/zinc/63/94/01/347639401.db2.gz JRFDPDMFQCHRIC-KBPBESRZSA-N 2 0 253.434 1.933 10 0 CDAERP C[NH+](C)C1(CN[C@@H]2CC[N@H+](C)C(C)(C)C2)CCC1 ZINC000623503228 347607747 /nfs/dbraw/zinc/60/77/47/347607747.db2.gz PYZYIDKHXKQCIN-CYBMUJFWSA-N 2 0 253.434 1.933 10 0 CDAERP CN1CC[NH+](CC2CC[NH+](CC3(F)CC3)CC2)CC1 ZINC000554882129 290196215 /nfs/dbraw/zinc/19/62/15/290196215.db2.gz GQCBQLRYTHWZNS-UHFFFAOYSA-N 2 0 269.408 1.448 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000615603351 348608870 /nfs/dbraw/zinc/60/88/70/348608870.db2.gz ONKZWWJJDLRULE-GOEBONIOSA-N 2 0 279.428 1.273 10 0 CDAERP COc1cncc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)n1 ZINC000629537050 362952224 /nfs/dbraw/zinc/95/22/24/362952224.db2.gz IAVIOTZRGBHNLH-LBPRGKRZSA-N 2 0 276.384 1.449 10 0 CDAERP CC(C)[C@@H](C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)[NH+](C)C ZINC000620968173 350389054 /nfs/dbraw/zinc/38/90/54/350389054.db2.gz ZOEBGOBJSCGBCE-CABCVRRESA-N 2 0 299.459 1.142 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000629539025 362955018 /nfs/dbraw/zinc/95/50/18/362955018.db2.gz NXBZQZGVHAZRLR-AWEZNQCLSA-N 2 0 252.333 1.768 10 0 CDAERP CCn1nccc1CC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000621775670 350772028 /nfs/dbraw/zinc/77/20/28/350772028.db2.gz WCWPBNBSPIJVJB-QEJZJMRPSA-N 2 0 262.401 1.505 10 0 CDAERP O=S1(=O)Cc2ccccc2[C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C1 ZINC000621778778 350775429 /nfs/dbraw/zinc/77/54/29/350775429.db2.gz VACJZDIGVPOSFP-WFASDCNBSA-N 2 0 294.420 1.245 10 0 CDAERP CO[C@H]1C[C@@H](C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])C1 ZINC000629553894 362982482 /nfs/dbraw/zinc/98/24/82/362982482.db2.gz DEJWDKAJXPHUFB-OJLVUWQFSA-N 2 0 262.397 1.960 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC000629556191 362992545 /nfs/dbraw/zinc/99/25/45/362992545.db2.gz NBSBBLKLLNWMRF-WCQYABFASA-N 2 0 253.390 1.247 10 0 CDAERP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CCO1 ZINC000629576343 363034782 /nfs/dbraw/zinc/03/47/82/363034782.db2.gz TYOXNBKKYUOUDI-ILXRZTDVSA-N 2 0 284.444 1.626 10 0 CDAERP CO[C@@H](CC[NH2+]C[C@H](O)C[NH+]1CCCC1)C(F)(F)F ZINC000629576784 363035156 /nfs/dbraw/zinc/03/51/56/363035156.db2.gz PGQUMMNJBJBQHU-QWRGUYRKSA-N 2 0 284.322 1.000 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000333628206 363068239 /nfs/dbraw/zinc/06/82/39/363068239.db2.gz SJKQTVHUOXOUOY-LSDHHAIUSA-N 2 0 296.459 1.548 10 0 CDAERP COC(=O)C1CCC([NH2+][C@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000414941838 290941748 /nfs/dbraw/zinc/94/17/48/290941748.db2.gz MCFZBKIKMGVQAC-WTIISPKJSA-N 2 0 254.374 1.306 10 0 CDAERP O[C@H](C[NH2+]CC[C@@H]1CC=CCC1)C[NH+]1CCCC1 ZINC000629597539 363133553 /nfs/dbraw/zinc/13/35/53/363133553.db2.gz MFKSGGWLQYOPHF-HUUCEWRRSA-N 2 0 252.402 1.779 10 0 CDAERP C[N@H+](C[C@H](O)CNC[C@@H]1CC[NH+]1C1CCCCC1)C1CC1 ZINC000629601197 363157026 /nfs/dbraw/zinc/15/70/26/363157026.db2.gz AVNSNODIFPWSEV-DLBZAZTESA-N 2 0 295.471 1.438 10 0 CDAERP C[N@H+](C[C@H](O)CNC[C@H]1CC[NH+]1C1CCCC1)C1CC1 ZINC000629601111 363157397 /nfs/dbraw/zinc/15/73/97/363157397.db2.gz GJHFPFDVKHAQMU-HZPDHXFCSA-N 2 0 281.444 1.048 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1cc(OC)c(OC)cc1C ZINC000629654271 363256431 /nfs/dbraw/zinc/25/64/31/363256431.db2.gz ORGBPPSWPCIZKS-UHFFFAOYSA-N 2 0 296.411 1.680 10 0 CDAERP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1ccc(F)cc1 ZINC000644524055 366142699 /nfs/dbraw/zinc/14/26/99/366142699.db2.gz OMQDWVSYGBVHST-IKGGRYGDSA-N 2 0 292.398 1.946 10 0 CDAERP CCC1([NH+]2CCOCC2)CCN(C[C@H]([NH3+])CC(C)C)CC1 ZINC000629661833 363317523 /nfs/dbraw/zinc/31/75/23/363317523.db2.gz DQCXYMPICCYXMB-MRXNPFEDSA-N 2 0 297.487 1.937 10 0 CDAERP C[C@H]1C[C@@H](C[NH+]2CCC(c3ncc[nH]3)CC2)CC[NH2+]1 ZINC000334850828 291056085 /nfs/dbraw/zinc/05/60/85/291056085.db2.gz VQXAMZUINDWRQS-STQMWFEESA-N 2 0 262.401 1.977 10 0 CDAERP C[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH2+]C2)[C@H]2CCC[C@@H]21 ZINC000423214973 283136998 /nfs/dbraw/zinc/13/69/98/283136998.db2.gz PXDNYEOYYVOAOJ-KBXIAJHMSA-N 2 0 251.418 1.448 10 0 CDAERP CC(C)[C@H](C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C)[C@H](C)[NH3+] ZINC000399731865 356019328 /nfs/dbraw/zinc/01/93/28/356019328.db2.gz MDKQDKCSJZPATD-AJNGGQMLSA-N 2 0 281.444 1.691 10 0 CDAERP CC1(C)C[NH2+]CC[C@H](NC(=O)CC[NH2+]C2CC2)C1 ZINC000634764513 358500776 /nfs/dbraw/zinc/50/07/76/358500776.db2.gz UYBPUGLSNPPYHE-LBPRGKRZSA-N 2 0 253.390 1.023 10 0 CDAERP CN(CC(=O)Nc1cc(F)cc(F)c1)C1CC[NH2+]CC1 ZINC000036300317 356201746 /nfs/dbraw/zinc/20/17/46/356201746.db2.gz ALHIYNWAXSDCSB-UHFFFAOYSA-N 2 0 283.322 1.587 10 0 CDAERP CCNC(=O)C(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000367627216 357484434 /nfs/dbraw/zinc/48/44/34/357484434.db2.gz SCFHOMZOWLWEDU-MCIONIFRSA-N 2 0 281.444 1.611 10 0 CDAERP Cc1nccn1-c1ncccc1NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091544079 357717431 /nfs/dbraw/zinc/71/74/31/357717431.db2.gz PXTNLPSBKNAENM-RYUDHWBXSA-N 2 0 285.351 1.642 10 0 CDAERP Cc1nccn1-c1ncccc1NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000091544081 357717571 /nfs/dbraw/zinc/71/75/71/357717571.db2.gz PXTNLPSBKNAENM-NWDGAFQWSA-N 2 0 285.351 1.642 10 0 CDAERP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000368613535 357872683 /nfs/dbraw/zinc/87/26/83/357872683.db2.gz KGYYTECWYTYXNT-DZGCQCFKSA-N 2 0 292.427 1.614 10 0 CDAERP CC(C)[C@H](C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[C@@H](C)[NH3+] ZINC000634742831 358190722 /nfs/dbraw/zinc/19/07/22/358190722.db2.gz ZDJAMTNGZDIUCB-OSRDXIQISA-N 2 0 267.417 1.064 10 0 CDAERP COCC[N@@H+]1CCN(CC[NH+]2CCCCC2)C[C@H]1C ZINC000132284154 358551302 /nfs/dbraw/zinc/55/13/02/358551302.db2.gz LCFCXVVQGVSKSN-OAHLLOKOSA-N 2 0 269.433 1.125 10 0 CDAERP C[C@@H](Cc1ccoc1)[NH2+]C[C@H]1CCCN1CCCO ZINC000449388652 358527700 /nfs/dbraw/zinc/52/77/00/358527700.db2.gz PSSWYGHXTWQMBB-DZGCQCFKSA-N 2 0 266.385 1.647 10 0 CDAERP C[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]C1)C[NH+]1CCCC1 ZINC000062076556 358800223 /nfs/dbraw/zinc/80/02/23/358800223.db2.gz FVMLUCJOFWQDHL-KBPBESRZSA-N 2 0 267.417 1.224 10 0 CDAERP O=C(C[C@H]1CCC[NH2+]1)NC1CCN(c2ccccn2)CC1 ZINC000042166529 358906121 /nfs/dbraw/zinc/90/61/21/358906121.db2.gz DEXZXOBHJXJJHR-CQSZACIVSA-N 2 0 288.395 1.309 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000070552274 358969617 /nfs/dbraw/zinc/96/96/17/358969617.db2.gz XFIIYIRJBXLCLS-HNNXBMFYSA-N 2 0 287.407 1.498 10 0 CDAERP [NH3+]C1CC(c2cc(NCC[C@H]3CCC[NH2+]3)ncn2)C1 ZINC000219040604 359033981 /nfs/dbraw/zinc/03/39/81/359033981.db2.gz PENFHLZUIXCNHD-HTAVTVPLSA-N 2 0 261.373 1.235 10 0 CDAERP C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000335232398 359080153 /nfs/dbraw/zinc/08/01/53/359080153.db2.gz KRMNVCQIXRBGDJ-CABCVRRESA-N 2 0 293.455 1.757 10 0 CDAERP C[N@H+](CCN[C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)C1CCCC1 ZINC000261932250 359094407 /nfs/dbraw/zinc/09/44/07/359094407.db2.gz LUODGSQMFIFGTE-BRWVUGGUSA-N 2 0 295.471 1.608 10 0 CDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000262114190 359134824 /nfs/dbraw/zinc/13/48/24/359134824.db2.gz WVIJWHONRATTNQ-HOCLYGCPSA-N 3 0 283.460 1.011 10 0 CDAERP C[C@H]1CC2(C[N@@H+]1CC(=O)NC(C)(C)C)CC[NH2+]CC2 ZINC000335275626 359293420 /nfs/dbraw/zinc/29/34/20/359293420.db2.gz FCHLWCQPLJMVPS-LBPRGKRZSA-N 2 0 267.417 1.365 10 0 CDAERP CC[C@@H]1CCC[C@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1 ZINC000572393639 359294637 /nfs/dbraw/zinc/29/46/37/359294637.db2.gz RJLLOXGWGMXYSN-PMPSAXMXSA-N 2 0 283.460 1.153 10 0 CDAERP C[C@H]([NH3+])CCC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309679747 359295173 /nfs/dbraw/zinc/29/51/73/359295173.db2.gz YYUCNPFPZVCMSS-GOEBONIOSA-N 2 0 289.423 1.752 10 0 CDAERP C[NH+]1CCN(c2ncnc3sc4c(c32)CC[NH2+]C4)CC1 ZINC000257185281 359512796 /nfs/dbraw/zinc/51/27/96/359512796.db2.gz WLNAEVMGPRBFMG-UHFFFAOYSA-N 2 0 289.408 1.089 10 0 CDAERP C[C@@H](O)C[N@H+](Cc1ccccc1)C[C@@]1(C)CC[NH2+]C1 ZINC000564975719 359551326 /nfs/dbraw/zinc/55/13/26/359551326.db2.gz MGQSCTQHGTXVMA-ZBFHGGJFSA-N 2 0 262.397 1.869 10 0 CDAERP CC(=O)[C@](C)(O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000347759131 359615669 /nfs/dbraw/zinc/61/56/69/359615669.db2.gz RBRRVEKCMYIJSQ-OAHLLOKOSA-N 2 0 270.417 1.380 10 0 CDAERP C[C@H]([NH2+][C@H](c1ccccc1)[C@@H]1CCOC1)C1C[NH2+]C1 ZINC000422989107 359701569 /nfs/dbraw/zinc/70/15/69/359701569.db2.gz LRNCTZFWHSCWOW-JGGQBBKZSA-N 2 0 260.381 1.962 10 0 CDAERP O[C@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C(F)F ZINC000423099899 359749643 /nfs/dbraw/zinc/74/96/43/359749643.db2.gz UQIKKUGIURFBJE-LALPHHSUSA-N 2 0 298.333 1.458 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](CO)c1ccccc1 ZINC000423003295 359734064 /nfs/dbraw/zinc/73/40/64/359734064.db2.gz HIIJEPKSUPWUSM-XHSDSOJGSA-N 2 0 262.397 1.870 10 0 CDAERP c1ccc([C@@H](C[C@H]2CCOC2)[NH2+]CC2C[NH2+]C2)cc1 ZINC000423299800 359763467 /nfs/dbraw/zinc/76/34/67/359763467.db2.gz COYMATCAPQZVCX-CZUORRHYSA-N 2 0 260.381 1.963 10 0 CDAERP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000417799709 359840754 /nfs/dbraw/zinc/84/07/54/359840754.db2.gz SWMIQICTEATWRP-YUELXQCFSA-N 2 0 294.443 1.382 10 0 CDAERP CC[C@@H]1CC[C@@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423516767 359836893 /nfs/dbraw/zinc/83/68/93/359836893.db2.gz XMGOGNNSILJLRJ-LMPOIIKSSA-N 2 0 265.445 1.981 10 0 CDAERP CC[C@H]1CC[C@@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423516765 359837226 /nfs/dbraw/zinc/83/72/26/359837226.db2.gz XMGOGNNSILJLRJ-LBDPXKHJSA-N 2 0 265.445 1.981 10 0 CDAERP C[C@@H]1CCN(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1 ZINC000336913551 359942300 /nfs/dbraw/zinc/94/23/00/359942300.db2.gz ZXKCDUUZMNBVIW-OAHLLOKOSA-N 2 0 298.475 1.654 10 0 CDAERP COC[C@H](O)C[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000348328011 360012791 /nfs/dbraw/zinc/01/27/91/360012791.db2.gz UWHYDKAHGMKDJA-BRWVUGGUSA-N 2 0 290.407 1.058 10 0 CDAERP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCN(C)C(=O)C1 ZINC000424369214 360023695 /nfs/dbraw/zinc/02/36/95/360023695.db2.gz CJIIATBDFVANOW-IMJJTQAJSA-N 2 0 289.423 1.403 10 0 CDAERP [NH3+][C@H]1CC[C@H](C(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000237891489 360157263 /nfs/dbraw/zinc/15/72/63/360157263.db2.gz MKNKSZJFLZMIEY-STQMWFEESA-N 2 0 279.428 1.637 10 0 CDAERP Cc1cnccc1CC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000335364560 360161076 /nfs/dbraw/zinc/16/10/76/360161076.db2.gz BCGJWMZQMYCLPL-INIZCTEOSA-N 2 0 259.397 1.960 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)NC[C@@H]1CCC[NH+]1C ZINC000112446280 360534730 /nfs/dbraw/zinc/53/47/30/360534730.db2.gz CSXSYHRCTVJZDK-ZDUSSCGKSA-N 2 0 270.421 1.112 10 0 CDAERP C[NH+]1CCN(C[C@H](O)C[NH2+]CC2(C)CCCCC2)CC1 ZINC000516454094 360604594 /nfs/dbraw/zinc/60/45/94/360604594.db2.gz MWDLUZBQVKXDCR-OAHLLOKOSA-N 2 0 283.460 1.155 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000626925773 360643114 /nfs/dbraw/zinc/64/31/14/360643114.db2.gz SAZFXVHRWXDIQE-LSDHHAIUSA-N 2 0 296.459 1.548 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000626932572 360650698 /nfs/dbraw/zinc/65/06/98/360650698.db2.gz CLMUFCZNWOWWSV-OLZOCXBDSA-N 2 0 282.432 1.301 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000626934065 360652751 /nfs/dbraw/zinc/65/27/51/360652751.db2.gz ASNKDFGKBCXFOV-NWANDNLSSA-N 2 0 296.459 1.547 10 0 CDAERP C[C@H](CNC(=O)N[C@H]1CC[C@H](C)[NH2+]C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000626934582 360654012 /nfs/dbraw/zinc/65/40/12/360654012.db2.gz JAMZFGNAADDZLL-BARDWOONSA-N 2 0 296.459 1.547 10 0 CDAERP C[C@H](CNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)C[NH+]1CCCCC1 ZINC000626943368 360670435 /nfs/dbraw/zinc/67/04/35/360670435.db2.gz CMUPALNMJWUIBF-KFWWJZLASA-N 2 0 296.459 1.548 10 0 CDAERP C[C@H](CNC(=O)N[C@H]1CC[NH2+]C12CCC2)C[NH+]1CCCC1 ZINC000626941952 360674303 /nfs/dbraw/zinc/67/43/03/360674303.db2.gz PJKXCQIRXFRKAS-KGLIPLIRSA-N 2 0 294.443 1.302 10 0 CDAERP COC1(C[C@@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)CCC1 ZINC000429521192 360846398 /nfs/dbraw/zinc/84/63/98/360846398.db2.gz FLNDVBJBEAAZLT-OAHLLOKOSA-N 2 0 297.487 1.950 10 0 CDAERP CC[C@H]([NH3+])CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000417939141 361426042 /nfs/dbraw/zinc/42/60/42/361426042.db2.gz KDRZUMSDKGBBJS-ZNMIVQPWSA-N 2 0 290.411 1.468 10 0 CDAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H]1[NH2+]CC1(C)C ZINC000644154030 364030988 /nfs/dbraw/zinc/03/09/88/364030988.db2.gz ODFGXWPDRJEYPN-DZGCQCFKSA-N 2 0 289.423 1.621 10 0 CDAERP C[C@H](CNC(=O)NCC1([NH3+])CCCCCC1)[N@H+](C)C1CC1 ZINC000566550945 370761012 /nfs/dbraw/zinc/76/10/12/370761012.db2.gz PCJOIVPKIRJMRI-CYBMUJFWSA-N 2 0 296.459 1.820 10 0 CDAERP C[C@@H]1C[NH+](CCCC[NH2+]Cc2nccn2C)C[C@@H](C)O1 ZINC000340437531 370759619 /nfs/dbraw/zinc/75/96/19/370759619.db2.gz ZSWRZNUICGWARS-ZIAGYGMSSA-N 2 0 280.416 1.399 10 0 CDAERP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCC(=O)NC2(C)C)C1 ZINC000459725235 364271436 /nfs/dbraw/zinc/27/14/36/364271436.db2.gz BFFGMMUNAXFUSF-QWHCGFSZSA-N 2 0 267.417 1.365 10 0 CDAERP CC[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000167776136 364360435 /nfs/dbraw/zinc/36/04/35/364360435.db2.gz XBBUGPIHOCPBMO-OLZOCXBDSA-N 2 0 253.390 1.201 10 0 CDAERP C[NH+](C)CCC[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCO1 ZINC000630019478 364432806 /nfs/dbraw/zinc/43/28/06/364432806.db2.gz BBHMBQLXFDJRDO-HNNXBMFYSA-N 2 0 297.443 1.040 10 0 CDAERP C[N@H+](CC(=O)NC[C@@H]1CC[NH+]1C(C)(C)C)C1CCC1 ZINC000630015374 364434698 /nfs/dbraw/zinc/43/46/98/364434698.db2.gz DIQMOCHDLPEDQZ-ZDUSSCGKSA-N 2 0 267.417 1.460 10 0 CDAERP COC(=O)CC1(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)CC1 ZINC000569003935 294140813 /nfs/dbraw/zinc/14/08/13/294140813.db2.gz WHMYJKOBNAOVQI-OAHLLOKOSA-N 2 0 266.385 1.405 10 0 CDAERP C[C@H]1C[C@H]([NH2+]CCNC(=O)c2ccccc2)CC[N@@H+]1C ZINC000162506780 364621440 /nfs/dbraw/zinc/62/14/40/364621440.db2.gz PVKSDZRLGCYVDK-DZGCQCFKSA-N 2 0 275.396 1.489 10 0 CDAERP COC[C@H](C)C[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000187673594 364799875 /nfs/dbraw/zinc/79/98/75/364799875.db2.gz RTEFZBQQJYBWDK-CQSZACIVSA-N 2 0 292.427 1.206 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000580209650 364901670 /nfs/dbraw/zinc/90/16/70/364901670.db2.gz DIEPTQCWKUWEHJ-MCIONIFRSA-N 2 0 267.417 1.269 10 0 CDAERP O=C(NCCC[NH+]1CCCCC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171899062 365423392 /nfs/dbraw/zinc/42/33/92/365423392.db2.gz BPUFFKXTMFHLFP-OAHLLOKOSA-N 2 0 294.443 1.352 10 0 CDAERP CC(C)C[C@H]([NH2+][C@H](C)[C@H]1C[C@H]1C)C(=O)NCC[NH+](C)C ZINC000414097872 241067200 /nfs/dbraw/zinc/06/72/00/241067200.db2.gz NWCIXSBOXYRYHD-KBXIAJHMSA-N 2 0 283.460 1.713 10 0 CDAERP C[C@H]([NH2+]CCCOC[C@H]1CCCO1)[C@@H]1CC[NH2+]C1 ZINC000400347018 366951510 /nfs/dbraw/zinc/95/15/10/366951510.db2.gz HVYZZCUNIZQYDJ-BFHYXJOUSA-N 2 0 256.390 1.160 10 0 CDAERP C[C@@H]([NH2+]Cc1ccc2c(c1)OCCO2)[C@H]1CC[NH2+]C1 ZINC000400494893 366959750 /nfs/dbraw/zinc/95/97/50/366959750.db2.gz APSGKWXUHGKNTF-YPMHNXCESA-N 2 0 262.353 1.545 10 0 CDAERP CC(C)C[C@@H]([NH3+])CNC[C@H]1[NH2+]CCc2ccccc21 ZINC000414943127 370839082 /nfs/dbraw/zinc/83/90/82/370839082.db2.gz CPIFUKNJJUEQED-GDBMZVCRSA-N 2 0 261.413 1.836 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000626998737 367220440 /nfs/dbraw/zinc/22/04/40/367220440.db2.gz RNTBBUPCVKXBHG-SOUVJXGZSA-N 2 0 296.459 1.404 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000627002740 367224855 /nfs/dbraw/zinc/22/48/55/367224855.db2.gz ZSSXFSDBCDDNAL-SOUVJXGZSA-N 2 0 296.459 1.404 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCCCC[NH+]1CCCC1 ZINC000627046598 367297625 /nfs/dbraw/zinc/29/76/25/367297625.db2.gz URKNVAYRLPSYJV-LSDHHAIUSA-N 2 0 296.459 1.692 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CC=C(C)CC1 ZINC000358046935 367390668 /nfs/dbraw/zinc/39/06/68/367390668.db2.gz KYBLSPFHLDRUGQ-HNNXBMFYSA-N 2 0 279.428 1.629 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH+](C)C)C2(C)C)CC[N@@H+]1C ZINC000630084548 367526812 /nfs/dbraw/zinc/52/68/12/367526812.db2.gz WOKZEYMWQUUMAG-CRWXNKLISA-N 2 0 281.444 1.562 10 0 CDAERP CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627131329 367531104 /nfs/dbraw/zinc/53/11/04/367531104.db2.gz MCUKHMQOVSARIV-CYBMUJFWSA-N 2 0 282.432 1.253 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NCCC[NH3+])C1 ZINC000417023794 242276358 /nfs/dbraw/zinc/27/63/58/242276358.db2.gz LSIOATHXDVXWHZ-BETUJISGSA-N 2 0 270.421 1.002 10 0 CDAERP COC[C@H](Cc1ccccc1)[NH2+][C@H]1CN(C)C[C@H]1C ZINC000358389394 367651716 /nfs/dbraw/zinc/65/17/16/367651716.db2.gz DDEULMQVULZCMT-KBMXLJTQSA-N 2 0 262.397 1.784 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)NC(C)(C)C[NH+]2CCCC2)C[NH2+]1 ZINC000627206847 367704470 /nfs/dbraw/zinc/70/44/70/367704470.db2.gz MRIDMNZNAUBHLS-CHWSQXEVSA-N 2 0 282.432 1.301 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)C[NH2+]1 ZINC000627199877 367690916 /nfs/dbraw/zinc/69/09/16/367690916.db2.gz FNLAJWSQZFLAHD-MQYQWHSLSA-N 2 0 282.432 1.109 10 0 CDAERP C[C@H](Cn1cccn1)[NH2+]CC1([NH3+])CCCCCC1 ZINC000414857583 367721350 /nfs/dbraw/zinc/72/13/50/367721350.db2.gz FCUQNPYLLVJIMR-CYBMUJFWSA-N 2 0 250.390 1.913 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)CC[NH2+]1 ZINC000417532733 242515423 /nfs/dbraw/zinc/51/54/23/242515423.db2.gz LQGKJOSEDRURKZ-CBBWQLFWSA-N 2 0 296.459 1.689 10 0 CDAERP C[NH+](C)C1(CNC(=O)C2=CC[C@H]([NH3+])C2)CCCC1 ZINC000638049598 367784958 /nfs/dbraw/zinc/78/49/58/367784958.db2.gz MZEAHTANALALNU-LBPRGKRZSA-N 2 0 251.374 1.025 10 0 CDAERP CCC[C@](C)([NH3+])C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000262506644 284003110 /nfs/dbraw/zinc/00/31/10/284003110.db2.gz AFIYSPSYBLDQEI-HOCLYGCPSA-N 2 0 281.444 1.694 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)NC[C@H]([NH3+])C(C)C)CC1 ZINC000418401383 243031215 /nfs/dbraw/zinc/03/12/15/243031215.db2.gz IBKIADLGCNAOGK-HNNXBMFYSA-N 2 0 298.475 1.733 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC([NH3+])(CC)CC)[C@@H](C)C1 ZINC000418422156 243058143 /nfs/dbraw/zinc/05/81/43/243058143.db2.gz CLYIJQFACTVAHH-UONOGXRCSA-N 2 0 298.475 1.876 10 0 CDAERP CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418447188 243088706 /nfs/dbraw/zinc/08/87/06/243088706.db2.gz INMQFESYTRSPKG-UONOGXRCSA-N 2 0 278.400 1.359 10 0 CDAERP CC[NH2+][C@H](C)CNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000418591197 243249154 /nfs/dbraw/zinc/24/91/54/243249154.db2.gz CECWRAXENQANMD-MJBXVCDLSA-N 2 0 284.448 1.356 10 0 CDAERP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000418730834 243384835 /nfs/dbraw/zinc/38/48/35/243384835.db2.gz SMJQKEANDPBOKD-UONOGXRCSA-N 2 0 284.448 1.630 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000418712122 243365796 /nfs/dbraw/zinc/36/57/96/243365796.db2.gz WVXVXAOFLFMARV-STQMWFEESA-N 2 0 278.400 1.283 10 0 CDAERP C[NH+](C)CCN(C(=O)CCC1C[NH2+]C1)C1CCCC1 ZINC000638272266 369057576 /nfs/dbraw/zinc/05/75/76/369057576.db2.gz KCRPZLUWUIUMEF-UHFFFAOYSA-N 2 0 267.417 1.319 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)Cc2ccccc2)[C@@H](C)C1 ZINC000287155849 369105229 /nfs/dbraw/zinc/10/52/29/369105229.db2.gz SWUMUMMQWCASAZ-BHYGNILZSA-N 2 0 276.424 1.910 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)CC1(O)CCC1 ZINC000545550077 369238004 /nfs/dbraw/zinc/23/80/04/369238004.db2.gz XNPJCNLDDJGNJI-UHFFFAOYSA-N 2 0 286.379 1.923 10 0 CDAERP c1cnn(C2CC([NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)C2)c1 ZINC000638359795 369525198 /nfs/dbraw/zinc/52/51/98/369525198.db2.gz RUWUBUMNRWONQS-DNOWBOINSA-N 2 0 260.385 1.661 10 0 CDAERP C[C@@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)C[NH+]1CCCCC1 ZINC000170832600 369679169 /nfs/dbraw/zinc/67/91/69/369679169.db2.gz LAXRRLHZAARJPT-GJZGRUSLSA-N 2 0 296.459 1.454 10 0 CDAERP Cn1ccnc1CN[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000289936579 369725452 /nfs/dbraw/zinc/72/54/52/369725452.db2.gz ATRCTNMEMZDDPY-AWEZNQCLSA-N 2 0 276.359 1.952 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000249749505 370181645 /nfs/dbraw/zinc/18/16/45/370181645.db2.gz BNYQPJIFQDRHRB-ZIAGYGMSSA-N 2 0 294.443 1.254 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)C12CCOCC2 ZINC000249066403 370118277 /nfs/dbraw/zinc/11/82/77/370118277.db2.gz ZNCPJMFBZIJMGJ-OWCLPIDISA-N 2 0 296.455 1.892 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000252392781 370204580 /nfs/dbraw/zinc/20/45/80/370204580.db2.gz WXKOUTHLMGTZHZ-FPCVCCKLSA-N 2 0 293.455 1.898 10 0 CDAERP C[C@@H]([NH3+])[C@H]1CCCN(Cc2nnc(C3CCC3)n2C)C1 ZINC000564988807 370318664 /nfs/dbraw/zinc/31/86/64/370318664.db2.gz KCMUGHBUEZQEJG-YPMHNXCESA-N 2 0 277.416 1.642 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000418205741 370290017 /nfs/dbraw/zinc/29/00/17/370290017.db2.gz ZSRRFWCICDVROR-SRVKXCTJSA-N 2 0 258.410 1.142 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000564949524 370307550 /nfs/dbraw/zinc/30/75/50/370307550.db2.gz XJBZOMYFIJPTCZ-DZGCQCFKSA-N 2 0 267.417 1.448 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCCCC[N@H+](C)C1CC1 ZINC000418267230 370373797 /nfs/dbraw/zinc/37/37/97/370373797.db2.gz OCVNTCMZOLYXIK-OCCSQVGLSA-N 2 0 282.432 1.158 10 0 CDAERP Nc1nccc([C@@H]2CCC[N@H+](CC[C@H]3CC[NH2+]C3)C2)n1 ZINC000565412062 370440380 /nfs/dbraw/zinc/44/03/80/370440380.db2.gz GLDRLKVMDVRKPT-CHWSQXEVSA-N 2 0 275.400 1.068 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1COc2c(cccc2OC)C1 ZINC000643452085 370447075 /nfs/dbraw/zinc/44/70/75/370447075.db2.gz XMMITPFVNREEJJ-UONOGXRCSA-N 2 0 294.395 1.342 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000414935924 370603504 /nfs/dbraw/zinc/60/35/04/370603504.db2.gz BCFAQGDPKIEISP-UKRRQHHQSA-N 2 0 274.412 1.769 10 0 CDAERP COCCOc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000414956747 371061107 /nfs/dbraw/zinc/06/11/07/371061107.db2.gz NRZJVCCJNUUVOW-XJKSGUPXSA-N 2 0 278.396 1.799 10 0 CDAERP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCCN1CCCC1=O ZINC000422754880 245217962 /nfs/dbraw/zinc/21/79/62/245217962.db2.gz AZSZHBZTCAGDMY-OLZOCXBDSA-N 2 0 253.390 1.249 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCc1cc(F)ccc1F ZINC000422817138 245293526 /nfs/dbraw/zinc/29/35/26/245293526.db2.gz CHASYVOCZGGOLW-ZDUSSCGKSA-N 2 0 272.339 1.851 10 0 CDAERP C[NH2+]C[C@H]1CCCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000567834365 371165709 /nfs/dbraw/zinc/16/57/09/371165709.db2.gz RXVPCCBSDUUJGA-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@]1(CCO)CCOC1 ZINC000422892121 245376409 /nfs/dbraw/zinc/37/64/09/245376409.db2.gz XLXQKUYXIHVQGQ-OWCLPIDISA-N 2 0 284.444 1.676 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)[C@@H](CC)[NH2+]C)CC1 ZINC000662430958 541853245 /nfs/dbraw/zinc/85/32/45/541853245.db2.gz FNBDKVJHBHYRGJ-CYBMUJFWSA-N 2 0 255.406 1.223 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2(CC(N)=O)CC2)[C@@H]2CCC[C@H]21 ZINC000573473674 371555841 /nfs/dbraw/zinc/55/58/41/371555841.db2.gz CEQSBNVQVFHQGM-RWMBFGLXSA-N 2 0 265.401 1.104 10 0 CDAERP COc1nccnc1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000295948656 371531334 /nfs/dbraw/zinc/53/13/34/371531334.db2.gz GXPBAMHIILDQGL-UHFFFAOYSA-N 2 0 278.400 1.841 10 0 CDAERP [NH3+][C@@H](C(=O)NC1CC([NH+]2CCCCC2)C1)C1CCC1 ZINC000577946862 372183329 /nfs/dbraw/zinc/18/33/29/372183329.db2.gz AYIYMRFMQYUQIK-JXQTWKCFSA-N 2 0 265.401 1.247 10 0 CDAERP C[C@H]([NH2+][C@H]1COc2ccccc2C1)[C@H]1CCC[NH2+]C1 ZINC000582474270 372318671 /nfs/dbraw/zinc/31/86/71/372318671.db2.gz IZLSGCCBTMIXEA-AEGPPILISA-N 2 0 260.381 1.968 10 0 CDAERP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)[C@@H](C)OC)CC[NH2+]CC1 ZINC000423075457 245541972 /nfs/dbraw/zinc/54/19/72/245541972.db2.gz WVCNROWXHRMPTN-YNEHKIRRSA-N 2 0 286.416 1.321 10 0 CDAERP C[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]([NH3+])C2)[C@H]1c1ccccc1 ZINC000333510751 205390351 /nfs/dbraw/zinc/39/03/51/205390351.db2.gz FJJNTLCPXJVXTL-QLFBSQMISA-N 2 0 288.395 1.174 10 0 CDAERP C[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)C2CCCCC2)C1 ZINC000190554895 373375387 /nfs/dbraw/zinc/37/53/87/373375387.db2.gz RQFFFUYSJURMFZ-ZFWWWQNUSA-N 2 0 254.418 1.811 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000341210071 373410388 /nfs/dbraw/zinc/41/03/88/373410388.db2.gz DWEGBKCCZWLFNP-CVEARBPZSA-N 2 0 293.455 1.948 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)c2ccc(-c3c[nH]cn3)cc2)C1 ZINC000630938954 373423811 /nfs/dbraw/zinc/42/38/11/373423811.db2.gz ZNNRUQXJFUGTFQ-AWEZNQCLSA-N 2 0 284.363 1.901 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000653952463 412812185 /nfs/dbraw/zinc/81/21/85/412812185.db2.gz LFANECFTXQAISP-KFWWJZLASA-N 2 0 296.459 1.358 10 0 CDAERP C[C@H]1C[N@H+](CCOc2ccccc2F)C[C@@H]1C[NH3+] ZINC000631843856 373901662 /nfs/dbraw/zinc/90/16/62/373901662.db2.gz SKLGZHLRTKRPHH-RYUDHWBXSA-N 2 0 252.333 1.731 10 0 CDAERP COCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001661857064 1172456405 /nfs/dbraw/zinc/45/64/05/1172456405.db2.gz YSLCEUKAOPMPMA-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)NCC2([NH3+])CCC2)CC1 ZINC000418529440 374404155 /nfs/dbraw/zinc/40/41/55/374404155.db2.gz UDPRTGFHVKPALD-UHFFFAOYSA-N 2 0 296.459 1.631 10 0 CDAERP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)C[C@@H]1C ZINC000418550419 374406986 /nfs/dbraw/zinc/40/69/86/374406986.db2.gz ANSGDDZWQUQCJB-XDQVBPFNSA-N 2 0 282.432 1.109 10 0 CDAERP CC(C)C[C@H](C)N(C)C(=O)CN1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631886867 374482744 /nfs/dbraw/zinc/48/27/44/374482744.db2.gz KIVDMQCPUXHQRT-XHSDSOJGSA-N 2 0 295.471 1.953 10 0 CDAERP Cc1ccccc1NC(=O)CC[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193646681 375889931 /nfs/dbraw/zinc/88/99/31/375889931.db2.gz JUPNZMSRLXRVDB-GASCZTMLSA-N 2 0 287.407 1.817 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CC[C@H](O)C(F)F)CC1(C)C ZINC000631215254 376014694 /nfs/dbraw/zinc/01/46/94/376014694.db2.gz OROGEEOZJREDKH-ZJUUUORDSA-N 2 0 250.333 1.465 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N(C)CC(C)(C)C[NH3+])CC1 ZINC000417389881 376315336 /nfs/dbraw/zinc/31/53/36/376315336.db2.gz KTDFJPGGARFJAO-UHFFFAOYSA-N 2 0 298.475 1.735 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@H](C(C)C)[C@H](C)[NH3+])CC1 ZINC000638981889 376345620 /nfs/dbraw/zinc/34/56/20/376345620.db2.gz YFQODFPWGJQZPF-UONOGXRCSA-N 2 0 283.460 1.939 10 0 CDAERP C[NH+](C)CC(C)(C)CNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000431566246 247811047 /nfs/dbraw/zinc/81/10/47/247811047.db2.gz QGOJXYIYUKVIQM-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H](CO)[N@H+](C)Cc1cccc(CN2CCOCC2)c1 ZINC000420944080 376486542 /nfs/dbraw/zinc/48/65/42/376486542.db2.gz XUCFXOUBNQLSBR-AWEZNQCLSA-N 2 0 278.396 1.331 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)Cc2cc(C)n[nH]2)[C@H](C)C1 ZINC000246308054 376622378 /nfs/dbraw/zinc/62/23/78/376622378.db2.gz DNIQLQNKGIBCDC-JMSVASOKSA-N 2 0 264.417 1.969 10 0 CDAERP C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631838764 376686709 /nfs/dbraw/zinc/68/67/09/376686709.db2.gz UWFKEWKHFQNXFH-MGPQQGTHSA-N 2 0 281.444 1.693 10 0 CDAERP CC[N@H+](CCNC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)C(C)C ZINC000417468428 377372858 /nfs/dbraw/zinc/37/28/58/377372858.db2.gz XXCMOYFUCWUVSW-QWHCGFSZSA-N 2 0 270.421 1.014 10 0 CDAERP CCC[NH+](CCC)CCCNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000417464889 377352962 /nfs/dbraw/zinc/35/29/62/377352962.db2.gz HBQWPGIUUPOIJS-HUUCEWRRSA-N 2 0 298.475 1.796 10 0 CDAERP CO[C@@H]1CC[C@@H]2OCCN(CC[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC000252745370 377719656 /nfs/dbraw/zinc/71/96/56/377719656.db2.gz ONVOLVJBTJLAHQ-FPCVCCKLSA-N 2 0 282.428 1.739 10 0 CDAERP COCC[C@H](COC)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000336796950 377725302 /nfs/dbraw/zinc/72/53/02/377725302.db2.gz XMPPXWXWTSBTPO-BFHYXJOUSA-N 2 0 256.390 1.254 10 0 CDAERP C[C@H]1CC[NH2+]C[C@H]1NC1CC([NH+]2CCCCC2)C1 ZINC000335027548 377778395 /nfs/dbraw/zinc/77/83/95/377778395.db2.gz FLBLQDHYYYLDFF-VXGQWTEUSA-N 2 0 251.418 1.591 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000417538157 377928198 /nfs/dbraw/zinc/92/81/98/377928198.db2.gz TVQLNLCZUMDIFA-XGUBFFRZSA-N 2 0 296.459 1.676 10 0 CDAERP CC[C@@](C)(O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662324840 412893841 /nfs/dbraw/zinc/89/38/41/412893841.db2.gz YVCSOXJOIPBGGJ-UONOGXRCSA-N 2 0 258.406 1.190 10 0 CDAERP CCSCC[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000443073271 250007223 /nfs/dbraw/zinc/00/72/23/250007223.db2.gz WMIYBEYNAGGSTR-UHFFFAOYSA-N 2 0 259.463 1.355 10 0 CDAERP COC1([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)CCOCC1 ZINC000453059248 284748277 /nfs/dbraw/zinc/74/82/77/284748277.db2.gz KRPLZXLAGTYELP-GJZGRUSLSA-N 2 0 284.444 1.892 10 0 CDAERP Cc1occc1C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000657572770 412904941 /nfs/dbraw/zinc/90/49/41/412904941.db2.gz FQNOLMWZPAVCQE-ZDUSSCGKSA-N 2 0 267.417 1.950 10 0 CDAERP [NH3+]C1(CNC(=O)C2([NH2+]C3CC3)CCC2)CCCCCC1 ZINC000662398070 412960678 /nfs/dbraw/zinc/96/06/78/412960678.db2.gz NMANBQHMPISNMV-UHFFFAOYSA-N 2 0 279.428 1.829 10 0 CDAERP C[C@H](NC(=O)C1([NH2+]C2CC2)CCC1)[C@@H]1CCC[NH2+]C1 ZINC000662403410 412967258 /nfs/dbraw/zinc/96/72/58/412967258.db2.gz LWIAJQUFYJDPEL-NWDGAFQWSA-N 2 0 265.401 1.165 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000175381440 285285771 /nfs/dbraw/zinc/28/57/71/285285771.db2.gz HMQICYHVIKUMBQ-GJZGRUSLSA-N 2 0 294.443 1.350 10 0 CDAERP CCCCC[N@H+](C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001663304250 1172670212 /nfs/dbraw/zinc/67/02/12/1172670212.db2.gz GANFFJNTZHWMKH-UHFFFAOYSA-N 2 0 283.460 1.957 10 0 CDAERP COCCN1CC[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C1 ZINC000657812448 413041551 /nfs/dbraw/zinc/04/15/51/413041551.db2.gz CDFHPPQZANHRTB-KRWDZBQOSA-N 2 0 295.471 1.419 10 0 CDAERP Cc1cc(C[NH+](C)C)cc(NC(=O)COC2(C)C[NH2+]C2)c1 ZINC000648158239 390849701 /nfs/dbraw/zinc/84/97/01/390849701.db2.gz OMAVXMPFLLVICW-UHFFFAOYSA-N 2 0 291.395 1.374 10 0 CDAERP [NH3+]C1CCC(OCC(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC000648186495 390947025 /nfs/dbraw/zinc/94/70/25/390947025.db2.gz WMUMPRHCDVOCBU-ROKHWSDSSA-N 2 0 295.427 1.064 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N2CCC[C@@H]([NH2+]C)C2)CC1 ZINC000417746289 391012369 /nfs/dbraw/zinc/01/23/69/391012369.db2.gz GWQXMPDQAZLDSF-OAHLLOKOSA-N 2 0 296.459 1.502 10 0 CDAERP C[C@]1(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)CC[NH2+]C1 ZINC000647479946 390966720 /nfs/dbraw/zinc/96/67/20/390966720.db2.gz YPIVJFASYJTWRR-KFWWJZLASA-N 2 0 251.418 1.450 10 0 CDAERP c1ncn(-c2ccccc2CN2CCC[C@]3(CC[NH2+]C3)C2)n1 ZINC000647541511 390982856 /nfs/dbraw/zinc/98/28/56/390982856.db2.gz PQDYOJSVSOKUDO-QGZVFWFLSA-N 2 0 297.406 1.843 10 0 CDAERP C[NH+](C)Cc1cc(C[NH2+]Cc2ccc(N)nc2)ccc1F ZINC000647550908 390998888 /nfs/dbraw/zinc/99/88/88/390998888.db2.gz OBHOJBLDRLGFOW-UHFFFAOYSA-N 2 0 288.370 1.985 10 0 CDAERP CC[N@@H+]1CC[C@H](C[NH2+]C2CCC(C(=O)OC)CC2)C1 ZINC000192439557 391075392 /nfs/dbraw/zinc/07/53/92/391075392.db2.gz HPZJKEIPBCJWDQ-IYXRBSQSSA-N 2 0 268.401 1.650 10 0 CDAERP C[C@@H](NC(=O)Nc1ccccc1CC[NH+](C)C)[C@H](C)[NH3+] ZINC000415559304 391174483 /nfs/dbraw/zinc/17/44/83/391174483.db2.gz FEXQYRSVGLNURO-NWDGAFQWSA-N 2 0 278.400 1.648 10 0 CDAERP C[N@@H+]1CCO[C@@H]2CN(c3cc[nH+]c4cc(F)ccc43)C[C@H]21 ZINC000301652465 391281701 /nfs/dbraw/zinc/28/17/01/391281701.db2.gz KGVQTTJTESCUKR-HZPDHXFCSA-N 2 0 287.338 1.893 10 0 CDAERP O=C([C@H]1CCCC[NH2+]1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000648104126 391336335 /nfs/dbraw/zinc/33/63/35/391336335.db2.gz NJWHIEOLLUISLW-BFHYXJOUSA-N 2 0 265.401 1.119 10 0 CDAERP C[NH+](C)CC1(C(=O)NCC2CC[NH+](C)CC2)CCCCC1 ZINC000425930965 391405107 /nfs/dbraw/zinc/40/51/07/391405107.db2.gz JWKPAAWWFPYCMG-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@H]2CCC[NH2+]2)cc1 ZINC000418361059 391407357 /nfs/dbraw/zinc/40/73/57/391407357.db2.gz GPZYMHFZXMQZLW-BXUZGUMPSA-N 2 0 276.384 1.258 10 0 CDAERP CC1=CC[N@H+](CCNC(=O)N[C@H](C)CCCC[NH3+])CC1 ZINC000418029970 391345415 /nfs/dbraw/zinc/34/54/15/391345415.db2.gz ROBPTILSPWVIQW-CQSZACIVSA-N 2 0 282.432 1.455 10 0 CDAERP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[N@H+](C)C1CC1 ZINC000346987872 391381468 /nfs/dbraw/zinc/38/14/68/391381468.db2.gz MJSJJKWVFUBWOP-LBPRGKRZSA-N 2 0 267.417 1.317 10 0 CDAERP CS[C@@H]1CC[C@H]1[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000425333768 391467698 /nfs/dbraw/zinc/46/76/98/391467698.db2.gz FQLJUDLEWNGCGN-MGPQQGTHSA-N 2 0 271.474 1.496 10 0 CDAERP CC[C@@H]1C[C@@H](C[NH+]2CCC([N@H+](C)CCCO)CC2)CCO1 ZINC000356979007 391495230 /nfs/dbraw/zinc/49/52/30/391495230.db2.gz ZUIXMHGTWMGPOV-DOTOQJQBSA-N 2 0 298.471 1.970 10 0 CDAERP Cc1ccccc1[C@@H]([NH3+])C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000417832976 391500713 /nfs/dbraw/zinc/50/07/13/391500713.db2.gz JDCAUDRKEKPGLM-XNRPHZJLSA-N 2 0 275.396 1.438 10 0 CDAERP Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647794362 391637663 /nfs/dbraw/zinc/63/76/63/391637663.db2.gz YPJXWNHBYYFFRY-BZUAXINKSA-N 2 0 290.455 1.947 10 0 CDAERP CC(C)[N@H+](CC[C@@H]1CCC[NH+]1C)C[C@@H]1CCC(=O)N1 ZINC000412076024 391579328 /nfs/dbraw/zinc/57/93/28/391579328.db2.gz KPBVZTSKOOOYJY-KBPBESRZSA-N 2 0 267.417 1.460 10 0 CDAERP C[C@H]([NH3+])CCC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088164359 391691923 /nfs/dbraw/zinc/69/19/23/391691923.db2.gz YTUQTCOHFQBDHP-WODVXLOZSA-N 2 0 253.390 1.245 10 0 CDAERP Cc1cnn(CC[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000341909243 130122499 /nfs/dbraw/zinc/12/24/99/130122499.db2.gz LOWPPKCEGIBQNK-ARFHVFGLSA-N 2 0 292.427 1.375 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]CC[C@H]2C)[C@@H]1n1cccn1 ZINC000516173678 391812034 /nfs/dbraw/zinc/81/20/34/391812034.db2.gz YQTLPIWOQJVFJM-LJIZCISZSA-N 2 0 292.427 1.579 10 0 CDAERP O[C@H](C[NH2+]CCCCOc1ccccc1)C[NH+]1CCCC1 ZINC000438205385 391897759 /nfs/dbraw/zinc/89/77/59/391897759.db2.gz ASMIIRKYZWTSNQ-MRXNPFEDSA-N 2 0 292.423 1.892 10 0 CDAERP CC[C@@H](C[NH+]1CCCC1)NC(=O)COC1CCC([NH3+])CC1 ZINC000646012541 391900334 /nfs/dbraw/zinc/90/03/34/391900334.db2.gz RORDEECYKBGSKY-SLTAFYQDSA-N 2 0 297.443 1.264 10 0 CDAERP CC(C)[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000438507495 391932905 /nfs/dbraw/zinc/93/29/05/391932905.db2.gz VXHRQKSATPMVEL-CQSZACIVSA-N 2 0 293.455 1.707 10 0 CDAERP CC(C)[C@H]([NH3+])C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000649319123 392012479 /nfs/dbraw/zinc/01/24/79/392012479.db2.gz IVMYDOMFQPHDSQ-LBPRGKRZSA-N 2 0 259.313 1.189 10 0 CDAERP C[NH+]1CCC2(CC1)C[N@H+](CCOC(C)(C)C)CCO2 ZINC000646104777 392013046 /nfs/dbraw/zinc/01/30/46/392013046.db2.gz XUCBXLJPJCWCGL-UHFFFAOYSA-N 2 0 270.417 1.598 10 0 CDAERP CC[NH+](CC)CC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000646382326 392189951 /nfs/dbraw/zinc/18/99/51/392189951.db2.gz RGTMCXQXPLXTGD-HUUCEWRRSA-N 2 0 281.444 1.566 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)C[C@H]2CC[NH2+]C2)CC1 ZINC000646262332 392219164 /nfs/dbraw/zinc/21/91/64/392219164.db2.gz HOXBNMUMPABJDW-ROKHWSDSSA-N 2 0 267.417 1.223 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1CCCCC[NH2+]1)C1CCCCC1 ZINC000567971388 392314959 /nfs/dbraw/zinc/31/49/59/392314959.db2.gz CMUFTFITPZUPAB-HNNXBMFYSA-N 2 0 281.444 1.899 10 0 CDAERP CC[N@@H+]1CC[C@H](CN[C@@H](Cc2ccccc2)[C@H](C)[NH3+])C1 ZINC000422689183 392249408 /nfs/dbraw/zinc/24/94/08/392249408.db2.gz DULYDXIHLGKPLU-UAGQMJEPSA-N 2 0 275.440 1.876 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCOc2ccc(F)cc21 ZINC000422960009 392276451 /nfs/dbraw/zinc/27/64/51/392276451.db2.gz VCYRYNNDMRHPKW-OCCSQVGLSA-N 2 0 282.359 1.993 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000423050411 392300980 /nfs/dbraw/zinc/30/09/80/392300980.db2.gz LEJFPQOHBRVGDX-AWEZNQCLSA-N 2 0 292.427 1.525 10 0 CDAERP CC[NH+](CC)[C@H](C)CN[C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423085350 392331544 /nfs/dbraw/zinc/33/15/44/392331544.db2.gz KGVCBQYCDJOVOV-VHDGCEQUSA-N 2 0 269.433 1.073 10 0 CDAERP Cc1cc(N2CCC[C@H]([NH2+][C@H]3CCC[C@H]([NH3+])C3)C2)n(C)n1 ZINC000568107167 392366691 /nfs/dbraw/zinc/36/66/91/392366691.db2.gz DVYHRACQBOVCIN-KKUMJFAQSA-N 2 0 291.443 1.557 10 0 CDAERP COc1ncccc1CC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000423144379 392383824 /nfs/dbraw/zinc/38/38/24/392383824.db2.gz YTRVMSADXRVGEJ-TZMCWYRMSA-N 2 0 263.385 1.610 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccccc1OC ZINC000629528541 392384424 /nfs/dbraw/zinc/38/44/24/392384424.db2.gz BNGKJZOJFSUNEW-LBPRGKRZSA-N 2 0 252.358 1.582 10 0 CDAERP [NH3+][C@@H]1C[C@H](NC[C@H]2CCCC[N@@H+]2CCO)c2ccccc21 ZINC000423146154 392385153 /nfs/dbraw/zinc/38/51/53/392385153.db2.gz OGPNOOVJPNOJBY-XYPHTWIQSA-N 2 0 289.423 1.568 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1cccc(C(F)(F)F)n1 ZINC000423156619 392395073 /nfs/dbraw/zinc/39/50/73/392395073.db2.gz LICXZLLHMVJGMC-NSHDSACASA-N 2 0 291.317 1.944 10 0 CDAERP C([NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1)[C@@H]1CCC[NH2+]1 ZINC000423229319 392458904 /nfs/dbraw/zinc/45/89/04/392458904.db2.gz ASZSVIGCNKCKLF-TUVASFSCSA-N 2 0 252.402 1.923 10 0 CDAERP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)C1 ZINC000423165920 392404439 /nfs/dbraw/zinc/40/44/39/392404439.db2.gz BTNMKVKKEMFWLA-BMFZPTHFSA-N 2 0 281.444 1.075 10 0 CDAERP CC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)C1(C(=O)OC)CCC1 ZINC000423399021 392550606 /nfs/dbraw/zinc/55/06/06/392550606.db2.gz PHTHWSDGFCUMFG-UPJWGTAASA-N 2 0 268.401 1.696 10 0 CDAERP COCCCN(C)CC[NH2+][C@H](C)Cc1ccoc1 ZINC000449170995 392694252 /nfs/dbraw/zinc/69/42/52/392694252.db2.gz JYBSQOQVGJGIBU-CYBMUJFWSA-N 2 0 254.374 1.769 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)Cc2ccoc2)CC1 ZINC000449079794 392631181 /nfs/dbraw/zinc/63/11/81/392631181.db2.gz QAJKWSOWPBTENE-HUUCEWRRSA-N 2 0 279.428 1.826 10 0 CDAERP C[C@@H]1C[C@H](N2C[C@@H](C)[C@](C)(C[NH3+])C2)C[N@@H+]1C1CC1 ZINC000310953942 392744955 /nfs/dbraw/zinc/74/49/55/392744955.db2.gz ZYHKVWGRGHEDCH-RJZRQDKASA-N 2 0 251.418 1.528 10 0 CDAERP CC(C)[NH+]1CCC(O)(C[NH2+][C@H]2C[C@@H](C)[C@H]2C)CC1 ZINC000495054609 393165821 /nfs/dbraw/zinc/16/58/21/393165821.db2.gz VLWIQXYPRPMHCF-MCIONIFRSA-N 2 0 254.418 1.856 10 0 CDAERP CCC[C@H](C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)[NH+](C)C ZINC000132728756 393137050 /nfs/dbraw/zinc/13/70/50/393137050.db2.gz TUHURYWPJJKQSF-HZSPNIEDSA-N 2 0 269.433 1.706 10 0 CDAERP CCc1nccn1[C@@H](C)CC(=O)N[C@@H](C)Cn1ccnc1 ZINC000648736291 393222017 /nfs/dbraw/zinc/22/20/17/393222017.db2.gz PAQUWRFEULORFT-STQMWFEESA-N 2 0 289.383 1.798 10 0 CDAERP CCc1nccn1[C@@H](C)CC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000648784779 393345984 /nfs/dbraw/zinc/34/59/84/393345984.db2.gz DIHYILYLJPQYAJ-UONOGXRCSA-N 2 0 292.427 1.807 10 0 CDAERP NC(=[NH2+])c1cccnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000040694085 134868280 /nfs/dbraw/zinc/86/82/80/134868280.db2.gz RBLAXXRRVNQTPU-UHFFFAOYSA-N 2 0 287.411 1.820 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000187797650 140083275 /nfs/dbraw/zinc/08/32/75/140083275.db2.gz OJZYSRRNERZZBV-GJZGRUSLSA-N 2 0 298.475 1.556 10 0 CDAERP O[C@@]12CCCC[C@H]1C[N@H+](CCCn1ccnc1)CC2 ZINC000220382892 140168529 /nfs/dbraw/zinc/16/85/29/140168529.db2.gz KAMLGKDORSTBFR-LSDHHAIUSA-N 2 0 263.385 1.900 10 0 CDAERP C[NH+](C)[C@@H]1CCN(C(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000229409202 140201449 /nfs/dbraw/zinc/20/14/49/140201449.db2.gz ZRTBJQFPIOMGFN-CYBMUJFWSA-N 2 0 267.417 1.448 10 0 CDAERP CC(C)(C)CC[NH+]1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000236607403 140241535 /nfs/dbraw/zinc/24/15/35/140241535.db2.gz OXYHQGIPFIBNOU-UONOGXRCSA-N 2 0 281.444 1.694 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000249931949 140301193 /nfs/dbraw/zinc/30/11/93/140301193.db2.gz DYDBTXDKXVNPOA-WCVJEAGWSA-N 2 0 293.455 1.850 10 0 CDAERP Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2C[C@@]2(C)CC[NH2+]C2)cn1 ZINC000261761752 140385887 /nfs/dbraw/zinc/38/58/87/140385887.db2.gz LMMVUVPYGWGPSQ-XHSDSOJGSA-N 2 0 292.427 1.308 10 0 CDAERP COC[C@H](CC(C)(C)C)[NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000656193393 413087765 /nfs/dbraw/zinc/08/77/65/413087765.db2.gz JTNWIBUNOSZKIL-KBPBESRZSA-N 2 0 299.459 1.225 10 0 CDAERP C[C@H](C[NH2+][C@H]1CCCCC[C@@H]1[NH3+])N1C[C@@H](C)O[C@@H](C)C1 ZINC000656200220 413096654 /nfs/dbraw/zinc/09/66/54/413096654.db2.gz IHRQOCHDBXJPFB-OWYFMNJBSA-N 2 0 283.460 1.734 10 0 CDAERP COCC1(C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)CCC1 ZINC000660474686 413152634 /nfs/dbraw/zinc/15/26/34/413152634.db2.gz LFCHAWMELDCOEO-MRXNPFEDSA-N 2 0 296.455 1.990 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)CC[NH2+]1 ZINC000662595794 413170248 /nfs/dbraw/zinc/17/02/48/413170248.db2.gz XEFBIFFPMJQTPX-CWRNSKLLSA-N 2 0 293.455 1.613 10 0 CDAERP C[C@@H]1CCN(Cc2nnc(C3CCC3)n2C)C[C@H]1C[NH3+] ZINC000420400847 397702483 /nfs/dbraw/zinc/70/24/83/397702483.db2.gz ITGLQAGONKABAZ-DGCLKSJQSA-N 2 0 277.416 1.499 10 0 CDAERP CC(C)C[C@H]([NH3+])c1noc([C@H](N)CC[NH+](C)C)n1 ZINC000650226424 397796516 /nfs/dbraw/zinc/79/65/16/397796516.db2.gz IJEMQTQJFBKFMW-ZJUUUORDSA-N 2 0 255.366 1.067 10 0 CDAERP O[C@@H](C[NH2+]CC1CCSCC1)C[NH+]1CCCCC1 ZINC000386391528 398118809 /nfs/dbraw/zinc/11/88/09/398118809.db2.gz VIEFEEONPIZEDH-AWEZNQCLSA-N 2 0 272.458 1.566 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C)C[C@@H]1C ZINC000414934559 285878802 /nfs/dbraw/zinc/87/88/02/285878802.db2.gz FERBCBITHWXTOM-XPABHHOTSA-N 2 0 282.428 1.942 10 0 CDAERP CC[NH+]1CCC(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000105084255 147210354 /nfs/dbraw/zinc/21/03/54/147210354.db2.gz GANLEMVDFXESHS-OAHLLOKOSA-N 2 0 294.443 1.350 10 0 CDAERP C[C@@H]1C[C@H](N(C)Cc2cnc(N)s2)CC[N@@H+]1C ZINC000262101889 149017400 /nfs/dbraw/zinc/01/74/00/149017400.db2.gz VQRZUWGRTPNUAA-NXEZZACHSA-N 2 0 254.403 1.640 10 0 CDAERP CCOCC[N@@H+]1CCN(C(=O)CC[C@@H](C)[NH3+])C[C@@H]1CC ZINC000193312571 286084364 /nfs/dbraw/zinc/08/43/64/286084364.db2.gz MQNKOHQPJKSEGB-KGLIPLIRSA-N 2 0 285.432 1.073 10 0 CDAERP CC[N@H+](C)[C@H](C(=O)N[C@H]1CC[NH2+]C[C@@H]1C)c1ccccc1 ZINC000262715331 149102706 /nfs/dbraw/zinc/10/27/06/149102706.db2.gz DLPGARSWIJOVQQ-BPUTZDHNSA-N 2 0 289.423 1.794 10 0 CDAERP CC[NH+](CC)CCSCC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000262751562 149109036 /nfs/dbraw/zinc/10/90/36/149109036.db2.gz JXYPHZOSCZHYRO-QWHCGFSZSA-N 2 0 287.473 1.176 10 0 CDAERP CC(C)C[NH2+]CCN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001664298862 1172836071 /nfs/dbraw/zinc/83/60/71/1172836071.db2.gz JNVOTHUMDRPQRM-UHFFFAOYSA-N 2 0 295.471 1.812 10 0 CDAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000335045147 150222394 /nfs/dbraw/zinc/22/23/94/150222394.db2.gz KYYZQPPZZMKDEE-GXFFZTMASA-N 2 0 258.325 1.062 10 0 CDAERP CC(C)(C[NH3+])C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000335068884 150255554 /nfs/dbraw/zinc/25/55/54/150255554.db2.gz LBHCOODJXXQUSG-KGLIPLIRSA-N 2 0 293.386 1.454 10 0 CDAERP CN(C(=O)C1CC[NH+](C2CC2)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC000336105744 151272982 /nfs/dbraw/zinc/27/29/82/151272982.db2.gz SHGPTMQXXRNTDA-INIZCTEOSA-N 2 0 291.439 1.413 10 0 CDAERP CC[NH+](CC)CC(=O)N1CC[NH+](CCC(C)(C)OC)CC1 ZINC000346309222 153133549 /nfs/dbraw/zinc/13/35/49/153133549.db2.gz UDYAFBACWXTPAG-UHFFFAOYSA-N 2 0 299.459 1.288 10 0 CDAERP COc1cc(C)c(C[NH2+]CCOCC[NH+](C)C)c(C)n1 ZINC000349193023 154065168 /nfs/dbraw/zinc/06/51/68/154065168.db2.gz UCMCSIFZBQSOTK-UHFFFAOYSA-N 2 0 281.400 1.375 10 0 CDAERP C[C@@H]1C[C@H](C[N@H+](C)CCCN2CC[NH+](C)CC2)CCO1 ZINC000349331300 154092008 /nfs/dbraw/zinc/09/20/08/154092008.db2.gz LFYKJUUYVYZWGN-HZPDHXFCSA-N 2 0 283.460 1.371 10 0 CDAERP C[C@H]1C[C@H]1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000349364472 154099311 /nfs/dbraw/zinc/09/93/11/154099311.db2.gz GQEWCCFDUFEEBV-UIJGJVKASA-N 2 0 277.456 1.885 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000349803893 154222351 /nfs/dbraw/zinc/22/23/51/154222351.db2.gz QWLCECUJSFPSHV-KGLIPLIRSA-N 2 0 296.459 1.666 10 0 CDAERP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CC2([NH3+])CC2)C1 ZINC000662683929 413306676 /nfs/dbraw/zinc/30/66/76/413306676.db2.gz XGRWSSHVELMJBA-CHWSQXEVSA-N 2 0 267.417 1.352 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCn2ccnn2)[C@@H]2CCC[C@@H]21 ZINC000353682871 156009508 /nfs/dbraw/zinc/00/95/08/156009508.db2.gz PCSRLODOHCHGEK-IHRRRGAJSA-N 2 0 263.389 1.131 10 0 CDAERP CC(C)C[C@H]([NH2+][C@H]1CCOC[C@@H]1C)C(=O)NCC[NH+](C)C ZINC000358985915 158090730 /nfs/dbraw/zinc/09/07/30/158090730.db2.gz KKBRMEINBODFKR-KKUMJFAQSA-N 2 0 299.459 1.094 10 0 CDAERP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662717592 413376107 /nfs/dbraw/zinc/37/61/07/413376107.db2.gz APALFAIJDXIKIC-DNCHLWJUSA-N 2 0 265.401 1.152 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000662731527 413394839 /nfs/dbraw/zinc/39/48/39/413394839.db2.gz FXAWYACOACLORK-CQSZACIVSA-N 2 0 269.433 1.596 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000662730879 413395160 /nfs/dbraw/zinc/39/51/60/413395160.db2.gz TVDPYECERRWWIZ-KGLIPLIRSA-N 2 0 263.385 1.566 10 0 CDAERP C[C@H]1C[C@H](NC(=O)C2([NH2+]C3CC3)CCC2)CC[N@@H+]1C ZINC000662732207 413399615 /nfs/dbraw/zinc/39/96/15/413399615.db2.gz ORFSQYRDIKBSTP-WCQYABFASA-N 2 0 265.401 1.260 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000226748585 298575860 /nfs/dbraw/zinc/57/58/60/298575860.db2.gz KYDROMFXXZSBBV-HZSPNIEDSA-N 2 0 267.417 1.495 10 0 CDAERP CC[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)C[C@H]1N1CCOCC1 ZINC000262017300 287197791 /nfs/dbraw/zinc/19/77/91/287197791.db2.gz VTUXMLCZGOHENR-BZUAXINKSA-N 2 0 281.444 1.029 10 0 CDAERP [NH2+]=C(NCCC[NH+]1CCCC1)NCc1ccccc1 ZINC000013809055 170596606 /nfs/dbraw/zinc/59/66/06/170596606.db2.gz UCRRGRFNZDMKLI-UHFFFAOYSA-N 2 0 260.385 1.786 10 0 CDAERP C[C@H](CCCC[NH3+])NC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662564996 411769110 /nfs/dbraw/zinc/76/91/10/411769110.db2.gz DCCMUUYVJSTJTL-IUODEOHRSA-N 2 0 275.396 1.855 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653114240 411818183 /nfs/dbraw/zinc/81/81/83/411818183.db2.gz AYIJTNVLXSJGQZ-KGLIPLIRSA-N 2 0 267.417 1.365 10 0 CDAERP COc1ccccc1[C@@H](C[NH3+])N1CCC[N@H+](C)CC1 ZINC000020217667 171080529 /nfs/dbraw/zinc/08/05/29/171080529.db2.gz GCXPGFNEHZRHKU-CQSZACIVSA-N 2 0 263.385 1.333 10 0 CDAERP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)C(=O)NC(C)C ZINC000020304569 171141266 /nfs/dbraw/zinc/14/12/66/171141266.db2.gz OBXSROHJGQGJFS-UONOGXRCSA-N 2 0 271.449 2.000 10 0 CDAERP CC[NH+]1CCN([C@H](C[NH3+])c2sccc2C)CC1 ZINC000022165647 171365624 /nfs/dbraw/zinc/36/56/24/171365624.db2.gz YCJRTJPJHFASIZ-GFCCVEGCSA-N 2 0 253.415 1.694 10 0 CDAERP CC[C@]1(C(=O)NCc2ccccc2C[NH2+]C)CCC[NH2+]1 ZINC000653214043 412141724 /nfs/dbraw/zinc/14/17/24/412141724.db2.gz DPCZOYVDHQQMMN-MRXNPFEDSA-N 2 0 275.396 1.554 10 0 CDAERP [NH3+]CC12CCC(CC1)CN2C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000653169388 412106429 /nfs/dbraw/zinc/10/64/29/412106429.db2.gz IWFMQMPAIBAHHS-OWYJLGKBSA-N 2 0 265.401 1.249 10 0 CDAERP CC[NH+](CC)Cc1ccc(C(=O)NCCC2(C[NH3+])CC2)o1 ZINC000653221446 412148213 /nfs/dbraw/zinc/14/82/13/412148213.db2.gz XEJNSEPVQSQBBR-UHFFFAOYSA-N 2 0 293.411 1.980 10 0 CDAERP CC(C)([NH3+])c1cc(C(=O)NCc2ccc(C[NH3+])cc2)on1 ZINC000662823143 413552047 /nfs/dbraw/zinc/55/20/47/413552047.db2.gz ORPHFXQRRAMGOC-UHFFFAOYSA-N 2 0 288.351 1.257 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000654663740 413558972 /nfs/dbraw/zinc/55/89/72/413558972.db2.gz WAVUSJLINIJJKV-SOUVJXGZSA-N 2 0 296.459 1.452 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000654663344 413558604 /nfs/dbraw/zinc/55/86/04/413558604.db2.gz OTPBEULMIUQGIO-KFWWJZLASA-N 2 0 296.459 1.451 10 0 CDAERP C[C@@H](CNC(=O)N[C@@H](C)c1nccn1C)[N@H+](C)C1CC1 ZINC000660855028 413583433 /nfs/dbraw/zinc/58/34/33/413583433.db2.gz ISKZLQGBQPACGY-QWRGUYRKSA-N 2 0 279.388 1.263 10 0 CDAERP CN(CC(C)(C)[NH3+])C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000662844083 413594869 /nfs/dbraw/zinc/59/48/69/413594869.db2.gz YIJZBSLWIJBLRO-SRVKXCTJSA-N 2 0 253.390 1.103 10 0 CDAERP [NH3+]CCCCC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000662866545 413628935 /nfs/dbraw/zinc/62/89/35/413628935.db2.gz FDHSXXOZMRRRAU-HUUCEWRRSA-N 2 0 275.396 1.377 10 0 CDAERP C[C@H]1C[C@@H](C[N@H+]2C[C@]3(C)COC[C@]3(C)C2)CC[NH2+]1 ZINC000656787978 413668462 /nfs/dbraw/zinc/66/84/62/413668462.db2.gz BLJBSZMLECYPMX-ZQDZILKHSA-N 2 0 252.402 1.733 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000664718629 413612399 /nfs/dbraw/zinc/61/23/99/413612399.db2.gz FIOGTOGMCGYIPF-GFCCVEGCSA-N 2 0 255.406 1.223 10 0 CDAERP CCO[C@@H]1CN(Cc2c(C)noc2C)C[C@H]1C[NH3+] ZINC000405780147 413691969 /nfs/dbraw/zinc/69/19/69/413691969.db2.gz MBDDGBPSBRKOCX-DGCLKSJQSA-N 2 0 253.346 1.087 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659449396 413836383 /nfs/dbraw/zinc/83/63/83/413836383.db2.gz ZGWHSTBQVDNLNO-CHWSQXEVSA-N 2 0 272.437 1.389 10 0 CDAERP C[NH+](C)CC(C)(C)CNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407284342 413916733 /nfs/dbraw/zinc/91/67/33/413916733.db2.gz VRXPKNGVKVZLCC-QWHCGFSZSA-N 2 0 267.417 1.221 10 0 CDAERP CC1(C)[C@H]([NH2+]CC23CC(C2)C[NH2+]3)[C@@H]2CCCO[C@H]21 ZINC000665279085 414016711 /nfs/dbraw/zinc/01/67/11/414016711.db2.gz WLHPETWBDHIYSL-FTBOAFTOSA-N 2 0 250.386 1.532 10 0 CDAERP CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000661359973 414017982 /nfs/dbraw/zinc/01/79/82/414017982.db2.gz SNPCUARTYHHNLE-MCIONIFRSA-N 2 0 282.432 1.110 10 0 CDAERP CC[NH+](CC)C[C@H](O)COc1cccc(C[NH3+])c1 ZINC000037049753 172916934 /nfs/dbraw/zinc/91/69/34/172916934.db2.gz NSAWYKPQECLBHX-ZDUSSCGKSA-N 2 0 252.358 1.227 10 0 CDAERP COc1ccnc(C[NH2+][C@@H](C)CCCC[NH3+])c1F ZINC000665266750 413997551 /nfs/dbraw/zinc/99/75/51/413997551.db2.gz IRBIQZUDXQWMFM-JTQLQIEISA-N 2 0 255.337 1.836 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1nccc(OC)c1F ZINC000665266426 413997789 /nfs/dbraw/zinc/99/77/89/413997789.db2.gz AXZFGZCSVVBHQW-JTQLQIEISA-N 2 0 271.336 1.073 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)CCCC[NH3+])CC1 ZINC000665289086 414026644 /nfs/dbraw/zinc/02/66/44/414026644.db2.gz GCJFLCIASNCKNT-AWEZNQCLSA-N 3 0 298.475 1.084 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000659620965 414027930 /nfs/dbraw/zinc/02/79/30/414027930.db2.gz RIOBQSGMQOTCRT-UKRRQHHQSA-N 2 0 282.432 1.097 10 0 CDAERP CC[NH+]1CCN([C@@H](C[NH3+])c2cc(F)ccc2F)CC1 ZINC000037233519 173052592 /nfs/dbraw/zinc/05/25/92/173052592.db2.gz KYEZXYDDWJBWBU-AWEZNQCLSA-N 2 0 269.339 1.602 10 0 CDAERP c1cc(C[NH2+]C[C@H]2CCOC2)n(-c2cc[nH+]cc2)n1 ZINC000657308735 414148360 /nfs/dbraw/zinc/14/83/60/414148360.db2.gz BEGAJXANVMZPCH-GFCCVEGCSA-N 2 0 258.325 1.393 10 0 CDAERP CC(C)[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000665367302 414117740 /nfs/dbraw/zinc/11/77/40/414117740.db2.gz USICTBLWESEUKV-CQSZACIVSA-N 2 0 296.459 1.595 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000655153551 414121546 /nfs/dbraw/zinc/12/15/46/414121546.db2.gz ZUHIVVJMSDWDLW-CQSZACIVSA-N 2 0 272.352 1.435 10 0 CDAERP CC[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)CO1 ZINC000657358113 414230950 /nfs/dbraw/zinc/23/09/50/414230950.db2.gz BHCLIAOFHSKQCX-IIAWOOMASA-N 2 0 281.444 1.312 10 0 CDAERP c1nc2n(c1C[NH2+][C@H]1CCCN(c3ncccn3)C1)CCC2 ZINC000657315306 414163411 /nfs/dbraw/zinc/16/34/11/414163411.db2.gz KNMDFDYVBRUEFV-ZDUSSCGKSA-N 2 0 298.394 1.378 10 0 CDAERP CC[NH+]1CCC(C[NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC000657346306 414192027 /nfs/dbraw/zinc/19/20/27/414192027.db2.gz AUNIZGQBOHKIEI-UHFFFAOYSA-N 2 0 262.401 1.651 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC000655803176 414194047 /nfs/dbraw/zinc/19/40/47/414194047.db2.gz MJJOSOBMNQNDNE-VIQHNZTISA-N 2 0 297.487 1.804 10 0 CDAERP CC[C@H](Cn1cncn1)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663463646 414271415 /nfs/dbraw/zinc/27/14/15/414271415.db2.gz APSMRIWBVHYIQT-JKSUJKDBSA-N 2 0 291.443 1.768 10 0 CDAERP CCn1nccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000663472061 414273514 /nfs/dbraw/zinc/27/35/14/414273514.db2.gz WRLNBBKGRJLQGK-KFWWJZLASA-N 2 0 262.401 1.865 10 0 CDAERP CC[NH2+]CC1CCN(Cc2nc3c(s2)C[NH2+]CC3)CC1 ZINC000663496393 414293114 /nfs/dbraw/zinc/29/31/14/414293114.db2.gz VQANZSBSTRIXTN-UHFFFAOYSA-N 2 0 294.468 1.610 10 0 CDAERP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000661776067 414360897 /nfs/dbraw/zinc/36/08/97/414360897.db2.gz XPBLVZKFKDQISK-XHSDSOJGSA-N 2 0 294.443 1.034 10 0 CDAERP Cn1ccnc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657536241 414422835 /nfs/dbraw/zinc/42/28/35/414422835.db2.gz YVTJRIHTCINNDF-UHFFFAOYSA-N 2 0 292.427 1.401 10 0 CDAERP C[C@@H]1[C@H](C)SCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662254454 414591020 /nfs/dbraw/zinc/59/10/20/414591020.db2.gz IFXAFRQVWCRQCO-WOPDTQHZSA-N 2 0 256.415 1.333 10 0 CDAERP C[N@H+](CCOCc1ccccc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662257494 414592756 /nfs/dbraw/zinc/59/27/56/414592756.db2.gz DDPIHXXANNOERU-INIZCTEOSA-N 2 0 290.407 1.656 10 0 CDAERP C[C@H](O)C[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CCCCC1 ZINC000662258416 414594718 /nfs/dbraw/zinc/59/47/18/414594718.db2.gz UMXQATNIJMOLKD-ZFWWWQNUSA-N 2 0 282.428 1.523 10 0 CDAERP CO[C@H](CN1CC[NH2+]C[C@](C)(F)C1)C1CCCC1 ZINC000662271973 414605047 /nfs/dbraw/zinc/60/50/47/414605047.db2.gz ANWTUQDDUNMJOC-KGLIPLIRSA-N 2 0 258.381 1.825 10 0 CDAERP C[C@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@@](C)(C(F)F)O1 ZINC000662237513 414579958 /nfs/dbraw/zinc/57/99/58/414579958.db2.gz VVPIJMFGGOEIAQ-GWCFXTLKSA-N 2 0 262.344 1.731 10 0 CDAERP C[C@H]1C[C@H]([N@H+](C)CC(=O)N2CC[NH2+]CC2)CC(C)(C)C1 ZINC000038031108 174025111 /nfs/dbraw/zinc/02/51/11/174025111.db2.gz XEPUBJWXVLGINA-KBPBESRZSA-N 2 0 281.444 1.565 10 0 CDAERP C[N@@H+]1CC[C@@H](CN[C@@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000040671475 174369555 /nfs/dbraw/zinc/36/95/55/174369555.db2.gz LUBJMPVOPSGJBH-ZWKOTPCHSA-N 2 0 287.451 1.845 10 0 CDAERP CC[NH+]1CCC([C@H](C)[NH2+][C@H]2CCCN(C)C2)CC1 ZINC000040672698 174371613 /nfs/dbraw/zinc/37/16/13/174371613.db2.gz UWQSEVUWECTCJE-ZFWWWQNUSA-N 2 0 253.434 1.791 10 0 CDAERP C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2C[NH3+])C1 ZINC000040717004 174384292 /nfs/dbraw/zinc/38/42/92/174384292.db2.gz GAKVZPCUUAJZNX-GFCCVEGCSA-N 2 0 261.369 1.816 10 0 CDAERP Cc1cc(N2CCC[N@H+](CCCC[NH3+])CC2)ncn1 ZINC000040726878 174387528 /nfs/dbraw/zinc/38/75/28/174387528.db2.gz PNKVEDIVGOAVRC-UHFFFAOYSA-N 2 0 263.389 1.036 10 0 CDAERP O=C(NCC[NH+]1CCCCCC1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000040768218 174398738 /nfs/dbraw/zinc/39/87/38/174398738.db2.gz JRMCRPHIFIYTJA-PMPSAXMXSA-N 2 0 293.455 1.899 10 0 CDAERP C[C@@H]([NH3+])Cc1cc2c(cc1OCC[NH+](C)C)OCO2 ZINC000042878145 174901087 /nfs/dbraw/zinc/90/10/87/174901087.db2.gz HQZWVOAQTHVJIP-SNVBAGLBSA-N 2 0 266.341 1.245 10 0 CDAERP CC(C)CN(CC[NH+](C)C)[C@@H](c1ccccn1)[C@@H](C)[NH3+] ZINC000043341165 175015496 /nfs/dbraw/zinc/01/54/96/175015496.db2.gz XCKBYPVOBDHKPF-GDBMZVCRSA-N 2 0 278.444 1.990 10 0 CDAERP C[C@H]([NH3+])[C@H](c1ccncc1)N(C)C1CC[NH+](C)CC1 ZINC000043353025 175020135 /nfs/dbraw/zinc/02/01/35/175020135.db2.gz YOJGIDAMIYQBAD-SWLSCSKDSA-N 2 0 262.401 1.496 10 0 CDAERP CC[C@H]([NH3+])[C@@H](N1CCC([NH+](C)C)CC1)C(F)(F)F ZINC000043377617 175030297 /nfs/dbraw/zinc/03/02/97/175030297.db2.gz ZMAAYYFDUPHGNE-WDEREUQCSA-N 2 0 267.339 1.681 10 0 CDAERP CN(C)c1cc[nH+]cc1NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000043588524 175072581 /nfs/dbraw/zinc/07/25/81/175072581.db2.gz JHNSQMCOMJPIQU-LBPRGKRZSA-N 2 0 276.384 1.866 10 0 CDAERP CCC[N@H+]([C@@H](C)CC(=O)OCC)C1CC[NH2+]CC1 ZINC000043622906 175080833 /nfs/dbraw/zinc/08/08/33/175080833.db2.gz KLDWKGMLRVBLHW-LBPRGKRZSA-N 2 0 256.390 1.792 10 0 CDAERP CCOc1ccccc1[C@@H](CN1CC[NH+](CC)CC1)[NH2+]C ZINC000043805848 175108100 /nfs/dbraw/zinc/10/81/00/175108100.db2.gz LBYWPYGMOTZWMZ-MRXNPFEDSA-N 2 0 291.439 1.983 10 0 CDAERP CC[NH2+][C@@H]1c2ccccc2C[C@@H]1N1CC[NH+](CC)CC1 ZINC000043806036 175108429 /nfs/dbraw/zinc/10/84/29/175108429.db2.gz YADRGKFDJRHVFJ-DLBZAZTESA-N 2 0 273.424 1.899 10 0 CDAERP C[NH2+][C@H](c1ccc(OC)cc1)[C@H](C)N1CC[NH+](C)CC1 ZINC000043810526 175109540 /nfs/dbraw/zinc/10/95/40/175109540.db2.gz UDPGCSSRYOUHKP-BBRMVZONSA-N 2 0 277.412 1.592 10 0 CDAERP CCOc1ccccc1[C@H](CN1CCC[N@H+](C)CC1)[NH2+]C ZINC000043818181 175112832 /nfs/dbraw/zinc/11/28/32/175112832.db2.gz SDZAYUSILIXJRW-INIZCTEOSA-N 2 0 291.439 1.983 10 0 CDAERP CCC[NH2+][C@H]1CCC[C@@H]1N1CC[NH+](C2CC2)CC1 ZINC000043967774 175128910 /nfs/dbraw/zinc/12/89/10/175128910.db2.gz QDTJJMBODMBAIG-GJZGRUSLSA-N 2 0 251.418 1.687 10 0 CDAERP C[NH+]1CCC(C[NH2+]C[C@@H](O)c2cccs2)CC1 ZINC000044518145 175191097 /nfs/dbraw/zinc/19/10/97/175191097.db2.gz JSLZMCFMHIDPPZ-GFCCVEGCSA-N 2 0 254.399 1.713 10 0 CDAERP CC[NH+]1CCC(CNC(=O)C[C@@H]2CCCC[NH2+]2)CC1 ZINC000044526943 175191997 /nfs/dbraw/zinc/19/19/97/175191997.db2.gz CAQGLJGOAYSYKD-AWEZNQCLSA-N 2 0 267.417 1.367 10 0 CDAERP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)ccc1O ZINC000044535817 175198474 /nfs/dbraw/zinc/19/84/74/175198474.db2.gz VYLWZZANDTUKCK-ZDUSSCGKSA-N 2 0 264.369 1.832 10 0 CDAERP CC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+][C@@H]2CCN(C3CC3)C2)C1 ZINC000044685746 175231655 /nfs/dbraw/zinc/23/16/55/175231655.db2.gz DFRGNGJZQNBNBP-QLFBSQMISA-N 2 0 265.445 1.933 10 0 CDAERP CCC[C@H](C[NH3+])C(=O)NCC1CC[NH+](CC)CC1 ZINC000044808403 175257007 /nfs/dbraw/zinc/25/70/07/175257007.db2.gz PCQNMUDUHXOTJY-CYBMUJFWSA-N 2 0 255.406 1.210 10 0 CDAERP CC(C)[NH2+][C@@](C)(CCCC[N@H+](C)C1CCOCC1)C(N)=O ZINC000045394953 175376423 /nfs/dbraw/zinc/37/64/23/175376423.db2.gz CYHVOBWTDTYQGO-INIZCTEOSA-N 2 0 299.459 1.510 10 0 CDAERP CCOC(=O)[C@@](C)([NH3+])CCC[N@H+](C)C[C@@H]1CCCCO1 ZINC000045421244 175379605 /nfs/dbraw/zinc/37/96/05/175379605.db2.gz CTQMSWOKZUZHBM-ZFWWWQNUSA-N 2 0 286.416 1.548 10 0 CDAERP CCC[NH+]1CCC(N2CC[C@@H]([NH2+]C3CC3)C2=O)CC1 ZINC000071032026 176023058 /nfs/dbraw/zinc/02/30/58/176023058.db2.gz QRTHIMGTZIPGTL-CQSZACIVSA-N 2 0 265.401 1.214 10 0 CDAERP CC(C)[NH2+][C@@H]1CCN(CC[NH+]2CCCCC2)C1=O ZINC000071032229 176023243 /nfs/dbraw/zinc/02/32/43/176023243.db2.gz JZTWCMLNTUAZGX-CYBMUJFWSA-N 2 0 253.390 1.071 10 0 CDAERP COc1cc(OC)cc(OCC[NH2+]CCC[NH+](C)C)c1 ZINC000071137892 176036316 /nfs/dbraw/zinc/03/63/16/176036316.db2.gz MWLYXYNYNQEFBR-UHFFFAOYSA-N 2 0 282.384 1.624 10 0 CDAERP Cn1cc(C[N@H+](C)CCN2CC[NH2+]CC2)c2ccccc21 ZINC000071149020 176044520 /nfs/dbraw/zinc/04/45/20/176044520.db2.gz BVSDODUCTBNUEE-UHFFFAOYSA-N 2 0 286.423 1.515 10 0 CDAERP C[NH2+][C@H](CCN(C)C[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC000071191360 176069863 /nfs/dbraw/zinc/06/98/63/176069863.db2.gz WXNOKZGAWLLDSY-ZIAGYGMSSA-N 2 0 255.450 1.894 10 0 CDAERP C[NH2+]Cc1ccc(CN(C)C[C@@H]2CC[N@H+](C)C2)o1 ZINC000071191952 176072486 /nfs/dbraw/zinc/07/24/86/176072486.db2.gz VWPNJWTWJAULAZ-GFCCVEGCSA-N 2 0 251.374 1.383 10 0 CDAERP CC(C)c1ncc(N(C)C[C@@H]2CC[N@H+](C)C2)c(C[NH3+])n1 ZINC000071191778 176072854 /nfs/dbraw/zinc/07/28/54/176072854.db2.gz YKVHDOBNTXLUBT-GFCCVEGCSA-N 2 0 277.416 1.447 10 0 CDAERP C[NH2+][C@H]1CCN(C[C@@H](c2cccc(OC)c2)[NH+](C)C)C1 ZINC000071198485 176077246 /nfs/dbraw/zinc/07/72/46/176077246.db2.gz NXXUNEZOSSMLFA-HOCLYGCPSA-N 2 0 277.412 1.592 10 0 CDAERP C[C@@H](C[NH+]1CCCC1)N1CCC[C@H]([NH2+]C2CC2)C1 ZINC000071201238 176077648 /nfs/dbraw/zinc/07/76/48/176077648.db2.gz PYKKLRNBEYWKOJ-ZFWWWQNUSA-N 2 0 251.418 1.687 10 0 CDAERP C[C@@H](NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)C(C)(C)C[NH+](C)C ZINC000417853282 226649608 /nfs/dbraw/zinc/64/96/08/226649608.db2.gz IGQLNVXGJJBHRW-TZMCWYRMSA-N 2 0 296.459 1.499 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]CCCF)CC1 ZINC001666318591 1173125675 /nfs/dbraw/zinc/12/56/75/1173125675.db2.gz JYWWJSLOUDGRES-HDJSIYSDSA-N 2 0 287.423 1.705 10 0 CDAERP COC(=O)C1CCC([N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)CC1 ZINC000415047168 263258168 /nfs/dbraw/zinc/25/81/68/263258168.db2.gz AMBHQYWXJGRFFX-XZNOPERXSA-N 2 0 268.401 1.635 10 0 CDAERP CC(C)C(=O)N1CCC([NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000093214265 263283309 /nfs/dbraw/zinc/28/33/09/263283309.db2.gz QMENPIAMYNTRMG-JSGCOSHPSA-N 2 0 267.417 1.493 10 0 CDAERP C[C@H](C[NH2+]CCCF)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001666928242 1173209425 /nfs/dbraw/zinc/20/94/25/1173209425.db2.gz ZJZKMWWYTUWADJ-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP CO[C@@H](C[N@H+](C)CCN1CC[NH2+]CC1)C1CCCCC1 ZINC000662245626 423784643 /nfs/dbraw/zinc/78/46/43/423784643.db2.gz MEONCXLTURVWDZ-INIZCTEOSA-N 2 0 283.460 1.419 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659452381 423786247 /nfs/dbraw/zinc/78/62/47/423786247.db2.gz MBAXXHHWFIUTII-ILGZHXLLSA-N 2 0 294.443 1.301 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000653477551 423839942 /nfs/dbraw/zinc/83/99/42/423839942.db2.gz STTOGJYKIPLMFL-KFWWJZLASA-N 2 0 296.459 1.500 10 0 CDAERP O[C@@]1(CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCOC1 ZINC000651943728 423940096 /nfs/dbraw/zinc/94/00/96/423940096.db2.gz CDEIHPGYKKJNQJ-KRWDZBQOSA-N 2 0 296.455 1.915 10 0 CDAERP COC1(CC[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)CCC1 ZINC000662326730 423961320 /nfs/dbraw/zinc/96/13/20/423961320.db2.gz ZPOWPSNGGWEMOF-HNNXBMFYSA-N 2 0 284.444 1.988 10 0 CDAERP C[C@H]1C[C@H](NC(=O)NCCC2(C[NH3+])CC2)C[N@@H+]1C1CC1 ZINC000652165899 423985696 /nfs/dbraw/zinc/98/56/96/423985696.db2.gz DFXJOIGYFBXNAA-RYUDHWBXSA-N 2 0 280.416 1.040 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)NCC1(C)CC[NH2+]CC1 ZINC000652212550 424060964 /nfs/dbraw/zinc/06/09/64/424060964.db2.gz FKMUOJJAJZEWMC-UHFFFAOYSA-N 2 0 298.475 1.653 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N(C)CC(C)(C)C[NH3+] ZINC000652224984 424084310 /nfs/dbraw/zinc/08/43/10/424084310.db2.gz MPYSZEKMICZETM-UHFFFAOYSA-N 2 0 286.464 1.591 10 0 CDAERP CC1CC[NH+](CC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000655245251 424053383 /nfs/dbraw/zinc/05/33/83/424053383.db2.gz GXQOOISRLMEECN-OKILXGFUSA-N 2 0 267.417 1.175 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)C1 ZINC000655245345 424054900 /nfs/dbraw/zinc/05/49/00/424054900.db2.gz KJLKAGHJLAIEKI-KWCYVHTRSA-N 2 0 265.401 1.070 10 0 CDAERP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCCC1(C[NH3+])CC1 ZINC000652240376 424120214 /nfs/dbraw/zinc/12/02/14/424120214.db2.gz YSXFTMGCXIBRHM-OLZOCXBDSA-N 2 0 282.432 1.097 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000662473157 424120573 /nfs/dbraw/zinc/12/05/73/424120573.db2.gz YBWCUMYQKUYVRQ-SOUVJXGZSA-N 2 0 283.460 1.939 10 0 CDAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662685408 424315088 /nfs/dbraw/zinc/31/50/88/424315088.db2.gz SIKKRKQWHBKKCZ-NSHDSACASA-N 2 0 294.399 1.282 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000519151172 265339793 /nfs/dbraw/zinc/33/97/93/265339793.db2.gz HJJBIXZDBMVJFZ-ZOWXZIJZSA-N 2 0 290.411 1.380 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000653133660 424343464 /nfs/dbraw/zinc/34/34/64/424343464.db2.gz UKVKKFRVOQUUAO-QWHCGFSZSA-N 2 0 261.369 1.188 10 0 CDAERP C[C@H](CCCC[NH3+])NC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653141978 424365424 /nfs/dbraw/zinc/36/54/24/424365424.db2.gz VPMFWRHSTCMRJD-RTXFEEFZSA-N 2 0 253.390 1.151 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000665272897 424483971 /nfs/dbraw/zinc/48/39/71/424483971.db2.gz NFTUXXYEFYRWSE-DDHJSBNISA-N 2 0 264.417 1.847 10 0 CDAERP C[C@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)[C@H]1CCC[NH2+]C1 ZINC000665235620 424468189 /nfs/dbraw/zinc/46/81/89/424468189.db2.gz XHBGQADFEMBJIE-STQMWFEESA-N 2 0 288.457 1.179 10 0 CDAERP C[C@@H]1C[NH+](CCC[N@@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)C[C@H](C)[C@H]1O ZINC000661628445 424640163 /nfs/dbraw/zinc/64/01/63/424640163.db2.gz UHGLUKPPVSCJFZ-QIYORIJCSA-N 2 0 298.471 1.274 10 0 CDAERP [NH3+]C[C@@H](NC(=O)CC[C@@H]([NH3+])c1ccccc1)C(F)(F)F ZINC000655505151 424667055 /nfs/dbraw/zinc/66/70/55/424667055.db2.gz QHCRJBFGDCGKQS-GHMZBOCLSA-N 2 0 289.301 1.472 10 0 CDAERP C[C@@H]1NC(=O)CC[C@H]1[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000392918876 270336384 /nfs/dbraw/zinc/33/63/84/270336384.db2.gz WZQPYAZDMKMGRN-RWMBFGLXSA-N 2 0 253.390 1.118 10 0 CDAERP CCC(C)(C)NC(=O)CN1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397360361 270349032 /nfs/dbraw/zinc/34/90/32/270349032.db2.gz LQFUQYJLHZKIGX-AVGNSLFASA-N 2 0 269.433 1.596 10 0 CDAERP C[NH2+]CCC1CCN(C(=O)COC2CCC([NH3+])CC2)CC1 ZINC000515381712 270436604 /nfs/dbraw/zinc/43/66/04/270436604.db2.gz HOWFPWKXFFVQSE-UHFFFAOYSA-N 2 0 297.443 1.121 10 0 CDAERP CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C1(C)C ZINC000530178827 271132963 /nfs/dbraw/zinc/13/29/63/271132963.db2.gz OIHPXCBVRQLFCI-FDYHWXHSSA-N 2 0 252.402 1.920 10 0 CDAERP Cc1cnn(CC[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530241264 271179305 /nfs/dbraw/zinc/17/93/05/271179305.db2.gz PAJDXLKFRPBMTL-MRXNPFEDSA-N 2 0 292.427 1.282 10 0 CDAERP C[C@@H](C[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1)C(C)(C)C ZINC000530244546 271180323 /nfs/dbraw/zinc/18/03/23/271180323.db2.gz ZKDNTEDXSHJZFI-AWEZNQCLSA-N 2 0 296.459 1.311 10 0 CDAERP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)CC[NH2+]1 ZINC000530247897 271183009 /nfs/dbraw/zinc/18/30/09/271183009.db2.gz CPNFKTSOODAXOJ-RQJABVFESA-N 2 0 286.441 1.026 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCCC1(C)C ZINC000457069436 276009993 /nfs/dbraw/zinc/00/99/93/276009993.db2.gz FWFMLRYUEKJKCC-AWEZNQCLSA-N 2 0 281.444 1.851 10 0 CDAERP CC[NH+](CC)CC(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186495595 276093354 /nfs/dbraw/zinc/09/33/54/276093354.db2.gz NVOLALRVYZPQRI-LBPRGKRZSA-N 2 0 253.390 1.071 10 0 CDAERP C([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)[C@@H]1CCC[NH2+]C1 ZINC000414827276 276815295 /nfs/dbraw/zinc/81/52/95/276815295.db2.gz KGSVNDRPXSCXMQ-RQJABVFESA-N 2 0 250.386 1.533 10 0 CDAERP COC(=O)[C@@H]1CSCC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000412062791 277103307 /nfs/dbraw/zinc/10/33/07/277103307.db2.gz BQIJXQRIFFDZCZ-STQMWFEESA-N 2 0 286.441 1.309 10 0 CDAERP COC(C)(C)CC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000346606069 277176428 /nfs/dbraw/zinc/17/64/28/277176428.db2.gz JMMBLYDYNNSIQP-CVEARBPZSA-N 2 0 297.487 1.759 10 0 CDAERP C[NH2+]CCN(C)C(=O)[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000263078757 277269902 /nfs/dbraw/zinc/26/99/02/277269902.db2.gz CYBDUFTUWNEREO-ZDUSSCGKSA-N 2 0 263.385 1.185 10 0 CDAERP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)C1CC1 ZINC000340493538 277332146 /nfs/dbraw/zinc/33/21/46/277332146.db2.gz VHEJBSGZESNXRV-KBUPBQIOSA-N 2 0 252.402 1.874 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)[C@H]1C ZINC000423376527 278025818 /nfs/dbraw/zinc/02/58/18/278025818.db2.gz AVLFXQHHMICONM-NOOOWODRSA-N 2 0 279.350 1.457 10 0 CDAERP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CCCNC2=O)c1 ZINC000359528081 279137757 /nfs/dbraw/zinc/13/77/57/279137757.db2.gz YMWDAXGEVRPWNT-MRXNPFEDSA-N 2 0 289.423 1.897 10 0 CDAERP CC(C)[C@@H](C(=O)N1CCC2(CC[NH2+]2)CC1)[NH+]1CCCCC1 ZINC000335604644 279760959 /nfs/dbraw/zinc/76/09/59/279760959.db2.gz OWUHJPSQZXERSX-HNNXBMFYSA-N 2 0 293.455 1.851 10 0 CDAERP CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC000245471886 280212287 /nfs/dbraw/zinc/21/22/87/280212287.db2.gz YGBANWDMCRCXHK-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP Cc1cc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)ccn1 ZINC000527702610 281172125 /nfs/dbraw/zinc/17/21/25/281172125.db2.gz YWNSRVOCYJDSFO-HNNXBMFYSA-N 2 0 277.412 1.981 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1CCCCN1CCO)c1ccoc1 ZINC000560349222 293024344 /nfs/dbraw/zinc/02/43/44/293024344.db2.gz DNSIZDBYWFXXGW-JSGCOSHPSA-N 2 0 252.358 1.777 10 0 CDAERP C[NH+](C)C1(CN[C@H](C2CC2)[C@H]2C[NH2+]CCO2)CCCCC1 ZINC000422756577 289061116 /nfs/dbraw/zinc/06/11/16/289061116.db2.gz LTAYUQWEWBKIQG-HZPDHXFCSA-N 2 0 295.471 1.608 10 0 CDAERP C[NH+](C)[C@@]1(CN[C@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CCSC1 ZINC000353524766 289342805 /nfs/dbraw/zinc/34/28/05/289342805.db2.gz WWLAXKTVWWHMEV-CAOSSQGBSA-N 2 0 297.512 1.886 10 0 CDAERP Cc1n[nH]c(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)n1 ZINC000552280383 290063593 /nfs/dbraw/zinc/06/35/93/290063593.db2.gz FOWSWQRZVUGBFH-YNEHKIRRSA-N 2 0 263.389 1.118 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)CC[N@@H+]1C ZINC000561180944 293058749 /nfs/dbraw/zinc/05/87/49/293058749.db2.gz JVHYADHLSBOILJ-FMKPAKJESA-N 2 0 294.443 1.254 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000422878431 293096306 /nfs/dbraw/zinc/09/63/06/293096306.db2.gz JDKQZLAFVOTJLE-JYJNAYRXSA-N 3 0 285.476 1.698 10 0 CDAERP C[C@@H]1C[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C(C)(C)C1 ZINC000334881816 297012845 /nfs/dbraw/zinc/01/28/45/297012845.db2.gz MFGQZDBPOVBXIK-QWHCGFSZSA-N 2 0 267.417 1.304 10 0 CDAERP C[C@H]1C[C@@H](C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)CC[NH2+]1 ZINC000567907967 293904448 /nfs/dbraw/zinc/90/44/48/293904448.db2.gz LEUODVKIEGNRSH-GVXVVHGQSA-N 2 0 288.395 1.224 10 0 CDAERP C[C@H]1CC[NH2+][C@H](C(=O)N2CC3CCC2(C[NH3+])CC3)C1 ZINC000568876963 294116775 /nfs/dbraw/zinc/11/67/75/294116775.db2.gz YLKXMHYTQSREGN-SDFYHXNISA-N 2 0 265.401 1.104 10 0 CDAERP [NH3+]Cc1ccc(CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)cc1 ZINC000568985388 294134741 /nfs/dbraw/zinc/13/47/41/294134741.db2.gz CRRNUNLTCWDDKL-PMPSAXMXSA-N 2 0 287.407 1.682 10 0 CDAERP CC(C)C[C@H](C[NH3+])NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000573584185 294848257 /nfs/dbraw/zinc/84/82/57/294848257.db2.gz XLRACNQZOPTIBH-UKRRQHHQSA-N 2 0 282.432 1.145 10 0 CDAERP [NH3+][C@H](C(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1)C1CCC1 ZINC000333341576 295327300 /nfs/dbraw/zinc/32/73/00/295327300.db2.gz YEYQLCCDJBEFQH-IHRRRGAJSA-N 2 0 265.401 1.104 10 0 CDAERP [NH3+][C@H]1CCCC[C@@H]1CC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000261612854 295333369 /nfs/dbraw/zinc/33/33/69/295333369.db2.gz FGTNTOOJNDXHKC-ZBFHGGJFSA-N 2 0 293.455 1.981 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000094459823 297094401 /nfs/dbraw/zinc/09/44/01/297094401.db2.gz JPSBQOPHCPUBBA-MCIONIFRSA-N 2 0 277.412 1.071 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000377529885 297099570 /nfs/dbraw/zinc/09/95/70/297099570.db2.gz JEVMLSGOXGQWGU-YIYPIFLZSA-N 2 0 265.401 1.070 10 0 CDAERP C[C@@H]1C[C@H](C)N(C(=O)c2ccc(C[NH3+])cc2)C[C@H]1C[NH3+] ZINC000422544363 297366486 /nfs/dbraw/zinc/36/64/86/297366486.db2.gz UWIWJDOUCVHWNF-TYNCELHUSA-N 2 0 275.396 1.591 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC[NH2+]1 ZINC000235718286 300401635 /nfs/dbraw/zinc/40/16/35/300401635.db2.gz LNNXRZXPHWEOPR-MELADBBJSA-N 2 0 265.401 1.071 10 0 CDAERP CC(C)[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001669380516 1173544095 /nfs/dbraw/zinc/54/40/95/1173544095.db2.gz GKJWKTIWFZERIA-AGIUHOORSA-N 2 0 255.406 1.219 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C)C[NH2+]CC[C@@H]1CCCCO1)[NH+](C)C ZINC001669399888 1173546924 /nfs/dbraw/zinc/54/69/24/1173546924.db2.gz SGBHMUYNAXWTER-ILXRZTDVSA-N 2 0 299.459 1.380 10 0 CDAERP CC/C=C\CC[NH2+]C[C@@H](C)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001669458302 1173552828 /nfs/dbraw/zinc/55/28/28/1173552828.db2.gz UWTUDDGBNIQACD-BUZJKLBMSA-N 2 0 293.455 1.923 10 0 CDAERP [NH3+][C@H]1CC[C@H](C(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000336600670 303489504 /nfs/dbraw/zinc/48/95/04/303489504.db2.gz NUULGOPYEVCMEN-STQMWFEESA-N 2 0 265.401 1.106 10 0 CDAERP C[C@@H](Cc1cnccn1)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000576208796 317095682 /nfs/dbraw/zinc/09/56/82/317095682.db2.gz BLAOQWIKAIDTOF-LBPRGKRZSA-N 2 0 267.336 1.845 10 0 CDAERP CN(C(=O)CC[C@H]1CCCC[N@@H+]1C)C1CC[NH2+]CC1 ZINC000576517828 317153436 /nfs/dbraw/zinc/15/34/36/317153436.db2.gz SUDQSMXQZPAEJB-CYBMUJFWSA-N 2 0 267.417 1.461 10 0 CDAERP CN(CCC[NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000577164626 317276185 /nfs/dbraw/zinc/27/61/85/317276185.db2.gz OVXROZQHRBWZIL-HUUCEWRRSA-N 2 0 290.411 1.422 10 0 CDAERP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NCC1CC[NH2+]CC1 ZINC000579343336 324159613 /nfs/dbraw/zinc/15/96/13/324159613.db2.gz PIDIMJDYUVXISW-UONOGXRCSA-N 2 0 267.417 1.400 10 0 CDAERP CCCC[NH2+][C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001673904874 1173897043 /nfs/dbraw/zinc/89/70/43/1173897043.db2.gz NVSVNUGXONGEBZ-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H](C)C[C@@H](C)[NH3+])CC2 ZINC000583320841 325152059 /nfs/dbraw/zinc/15/20/59/325152059.db2.gz RBTNOPCMKQKTFZ-TUVASFSCSA-N 2 0 296.459 1.769 10 0 CDAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCC2=CCCCC2)CC1 ZINC000584278855 327210988 /nfs/dbraw/zinc/21/09/88/327210988.db2.gz DNAWIYCLBFQXOC-INIZCTEOSA-N 2 0 281.444 1.075 10 0 CDAERP C[C@@H]1[C@H](NC2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000261543130 334196126 /nfs/dbraw/zinc/19/61/26/334196126.db2.gz HMTOXWPCESLGBE-RHSMWYFYSA-N 2 0 273.424 1.991 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCC[C@H]1[NH3+])c1ccccc1 ZINC000250349985 1159246446 /nfs/dbraw/zinc/24/64/46/1159246446.db2.gz UAMWPBZUWPNUAY-BZUAXINKSA-N 2 0 289.423 1.923 10 0 CDAERP C[NH+](C)CC1(C(=O)N2CC[C@H](C[NH2+]C/C=C\Cl)C2)CC1 ZINC001731667149 1159324318 /nfs/dbraw/zinc/32/43/18/1159324318.db2.gz JQRVRYZNAQZJNB-RBWDJNPFSA-N 2 0 299.846 1.519 10 0 CDAERP C[C@@H](C[NH2+]CCC(C)(C)C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001699427088 1159630977 /nfs/dbraw/zinc/63/09/77/1159630977.db2.gz MPFJJAJMTRUYGW-UONOGXRCSA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCC2CC2)[C@H]1C ZINC001423328956 1160366172 /nfs/dbraw/zinc/36/61/72/1160366172.db2.gz NOIGFTPOTDCFGQ-HIFRSBDPSA-N 2 0 281.444 1.706 10 0 CDAERP C[C@H](CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@H]1CCCO1 ZINC000668302764 482362850 /nfs/dbraw/zinc/36/28/50/482362850.db2.gz PATCIGMBVFPSOF-HUUCEWRRSA-N 2 0 299.459 1.143 10 0 CDAERP [NH3+]CC1(CCNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000652130779 482443613 /nfs/dbraw/zinc/44/36/13/482443613.db2.gz ZJCGSTZUKQEADS-OLZOCXBDSA-N 2 0 280.416 1.041 10 0 CDAERP CN(Cc1ccnn1-c1cc[nH+]cc1)C[C@H]1COCCO1 ZINC000668546573 482473447 /nfs/dbraw/zinc/47/34/47/482473447.db2.gz CRZPRZLTHXWYDD-HNNXBMFYSA-N 2 0 288.351 1.115 10 0 CDAERP CC(C)C[C@H]([NH3+])C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000653170596 482479711 /nfs/dbraw/zinc/47/97/11/482479711.db2.gz MLPBUYYGNVTZCR-LXVYMNJGSA-N 2 0 253.390 1.090 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)C2([NH+](C)C)CC2)CC[N@@H+]1C ZINC000669126699 482479887 /nfs/dbraw/zinc/47/98/87/482479887.db2.gz ZQLLYEDIRJCNNW-VXGBXAGGSA-N 2 0 253.390 1.022 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](CO)CC2)[C@H]2CCC[C@@H]21 ZINC000671750607 482621743 /nfs/dbraw/zinc/62/17/43/482621743.db2.gz KAGQXJZLZZTXIL-LEOABGAYSA-N 2 0 266.429 2.000 10 0 CDAERP C[C@@H]([NH2+][C@H]1CC(=O)N([C@H]2C[C@H]2C)C1)C1CC[NH+](C)CC1 ZINC000678594685 482834083 /nfs/dbraw/zinc/83/40/83/482834083.db2.gz JJMBCFKUQKQJQK-UXOAXIEHSA-N 2 0 279.428 1.316 10 0 CDAERP CCc1nn(C)cc1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000666792119 482920855 /nfs/dbraw/zinc/92/08/55/482920855.db2.gz LIKZDDRLXDPGHQ-GFCCVEGCSA-N 2 0 250.390 1.462 10 0 CDAERP C[C@H](CC(=O)N[C@@H]1CCC[N@H+](C)C1)[C@H]1CCC[NH2+]C1 ZINC000251453198 483042383 /nfs/dbraw/zinc/04/23/83/483042383.db2.gz BXXBGGJHTRSNAF-HZSPNIEDSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000669469243 483180414 /nfs/dbraw/zinc/18/04/14/483180414.db2.gz IGJBJFQACBMYHP-RBSFLKMASA-N 2 0 296.459 1.691 10 0 CDAERP CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000675182469 483242411 /nfs/dbraw/zinc/24/24/11/483242411.db2.gz SKFGUBQRZLQMJX-UONOGXRCSA-N 2 0 282.432 1.254 10 0 CDAERP C[NH+](C)CCOCC[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000682616273 483309244 /nfs/dbraw/zinc/30/92/44/483309244.db2.gz VUYTXNGITLLMCP-OAHLLOKOSA-N 2 0 277.412 1.433 10 0 CDAERP C[NH+](C)CCOCC[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000682616272 483309396 /nfs/dbraw/zinc/30/93/96/483309396.db2.gz VUYTXNGITLLMCP-HNNXBMFYSA-N 2 0 277.412 1.433 10 0 CDAERP C[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)N[C@H]2CCC[N@@H+](C)C2)C1 ZINC000679374654 483352648 /nfs/dbraw/zinc/35/26/48/483352648.db2.gz ZJJBUTSEGKCMDR-KKUMJFAQSA-N 2 0 294.443 1.206 10 0 CDAERP CC(C)C[C@@H](CNC(=O)C[C@@H]([NH3+])C(C)C)[NH+](C)C ZINC000136430211 483403201 /nfs/dbraw/zinc/40/32/01/483403201.db2.gz IHYRUPNRQOURNP-QWHCGFSZSA-N 2 0 257.422 1.452 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+][C@@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667929129 483482950 /nfs/dbraw/zinc/48/29/50/483482950.db2.gz SMHCJTCJDQHEJU-HOTGVXAUSA-N 2 0 281.444 1.171 10 0 CDAERP CN(CC[NH2+]CC1CC(C)(C)C1)C(=O)C12CC[NH+](CC1)C2 ZINC001691558591 1160699476 /nfs/dbraw/zinc/69/94/76/1160699476.db2.gz NQBKJHPWCULEFY-UHFFFAOYSA-N 2 0 293.455 1.566 10 0 CDAERP C[C@@H](CCC[NH2+]CC1CC1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001700674914 1160713018 /nfs/dbraw/zinc/71/30/18/1160713018.db2.gz XFSKRDAFCQBTOI-ZFWWWQNUSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)CCOCC[N@@H+]1CCCN(C[C@@H](C)C[NH3+])CC1 ZINC000049265219 519665584 /nfs/dbraw/zinc/66/55/84/519665584.db2.gz GESIRTKSOUQTOA-INIZCTEOSA-N 2 0 285.476 1.652 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NS(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000049204825 519793657 /nfs/dbraw/zinc/79/36/57/519793657.db2.gz PLWUDLPBLRAWBB-CQSZACIVSA-N 2 0 299.440 1.010 10 0 CDAERP CCCC1CC[NH+](CCC[C@@](C)([NH3+])C(N)=O)CC1 ZINC000050905767 519901029 /nfs/dbraw/zinc/90/10/29/519901029.db2.gz FXOUVOLUTQPNEH-CQSZACIVSA-N 2 0 255.406 1.481 10 0 CDAERP CCC[NH2+]CC1(CN2CC[NH+](C)CC2)CCOCC1 ZINC000052180719 519911268 /nfs/dbraw/zinc/91/12/68/519911268.db2.gz ZSPQBOJZQQHDBG-UHFFFAOYSA-N 2 0 269.433 1.030 10 0 CDAERP CC[NH2+][C@](C)(CCC[N@H+](CC)CC1CC1)C(N)=O ZINC000069239518 520227319 /nfs/dbraw/zinc/22/73/19/520227319.db2.gz OIXLUSYPEVXDCW-CQSZACIVSA-N 2 0 255.406 1.352 10 0 CDAERP CCC(C)(C)[N@H+](C)CCCC[C@](C)([NH2+]C)C(N)=O ZINC000069446556 521302607 /nfs/dbraw/zinc/30/26/07/521302607.db2.gz ZAUVSFCMZSWLFF-AWEZNQCLSA-N 2 0 257.422 1.741 10 0 CDAERP C[NH2+][C@H](CN1CC[NH+](C2CCCC2)CC1)C1CC1 ZINC000069074974 522467767 /nfs/dbraw/zinc/46/77/67/522467767.db2.gz ZGPXAEPHZGFUFZ-OAHLLOKOSA-N 2 0 251.418 1.545 10 0 CDAERP CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001732425377 1182959364 /nfs/dbraw/zinc/95/93/64/1182959364.db2.gz FJCTZCFKEZLBMI-CHWSQXEVSA-N 2 0 255.406 1.317 10 0 CDAERP CC(C)[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001734555396 1183824697 /nfs/dbraw/zinc/82/46/97/1183824697.db2.gz IDWCAAACIQPFKY-QWHCGFSZSA-N 2 0 269.433 1.610 10 0 CDAERP CC(C)[N@H+](C)CCCCNC(=O)[C@@H]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC000055139078 519614564 /nfs/dbraw/zinc/61/45/64/519614564.db2.gz SMCKKMYDYNJYBT-KFWWJZLASA-N 2 0 283.460 1.987 10 0 CDAERP CC(C)[NH+]1CCN(C(=O)CC[C@H]2CCCC[NH2+]2)CC1 ZINC000050942874 519678902 /nfs/dbraw/zinc/67/89/02/519678902.db2.gz FVSSQDVQZVODBY-CQSZACIVSA-N 2 0 267.417 1.461 10 0 CDAERP CC(C)[NH+]1CCN(C[C@@H]2CC[C@@H](C[NH2+]C(C)(C)C)O2)CC1 ZINC000052480135 519682162 /nfs/dbraw/zinc/68/21/62/519682162.db2.gz OCUMEDCSCDHYDY-HOTGVXAUSA-N 2 0 297.487 1.948 10 0 CDAERP CC(C)C[NH+]1CCN(C[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000055083627 519726527 /nfs/dbraw/zinc/72/65/27/519726527.db2.gz SDWAXEPMTTVDAE-SFHVURJKSA-N 2 0 287.451 1.975 10 0 CDAERP CC(C)C[NH+]1CCN([C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000055079069 519728666 /nfs/dbraw/zinc/72/86/66/519728666.db2.gz VSRYSVHLGIXNIX-GJZGRUSLSA-N 2 0 253.434 1.920 10 0 CDAERP CC(C)C[NH2+]CC1(C[N@H+](C)C[C@H](C)O)CCOCC1 ZINC000052198288 519742968 /nfs/dbraw/zinc/74/29/68/519742968.db2.gz UKOMXQWCZXNVKG-AWEZNQCLSA-N 2 0 272.433 1.341 10 0 CDAERP CC(C)C[NH2+]Cc1cccc(N2CC[C@@H]([NH+](C)C)C2)n1 ZINC000062971192 519747468 /nfs/dbraw/zinc/74/74/68/519747468.db2.gz DNSPHUTUDOJXCK-OAHLLOKOSA-N 2 0 276.428 1.968 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CCC[C@@H](C)[NH2+]1 ZINC000049560235 519775386 /nfs/dbraw/zinc/77/53/86/519775386.db2.gz CWIMJQPKFJLIFS-RDBSUJKOSA-N 2 0 269.433 1.610 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)C[C@@H]1CCCC[NH2+]1 ZINC000049225468 519814217 /nfs/dbraw/zinc/81/42/17/519814217.db2.gz BSTDESMZMLOJBC-STQMWFEESA-N 2 0 255.406 1.221 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@H]2CCC[C@@H](C)[NH2+]2)CC1 ZINC000049560226 519846002 /nfs/dbraw/zinc/84/60/02/519846002.db2.gz NSUHFVDYUXEKNX-TZMCWYRMSA-N 2 0 267.417 1.508 10 0 CDAERP CCC[NH+]1CCN(C(=O)[C@H]2CCC[C@@H]([NH3+])[C@@H]2C)CC1 ZINC000055124563 519856622 /nfs/dbraw/zinc/85/66/22/519856622.db2.gz JCBKVUIKDMBGDD-HZSPNIEDSA-N 2 0 267.417 1.304 10 0 CDAERP CCC[NH+]1CCN(C(=O)[C@@H]2CCC[C@H](CC[NH3+])C2)CC1 ZINC000055146080 519856626 /nfs/dbraw/zinc/85/66/26/519856626.db2.gz XQYNOICLYFJWQS-HUUCEWRRSA-N 2 0 281.444 1.696 10 0 CDAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000054629073 519910468 /nfs/dbraw/zinc/91/04/68/519910468.db2.gz ICRDWISHRNWKFU-YPAMNDHTSA-N 2 0 263.429 1.828 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@H](C[N@@H+]2CCCSCC2)O1 ZINC000052371150 519937918 /nfs/dbraw/zinc/93/79/18/519937918.db2.gz HOJFVJZZWZJGKL-ZIAGYGMSSA-N 2 0 272.458 1.973 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000061232738 519941604 /nfs/dbraw/zinc/94/16/04/519941604.db2.gz QXRZFUROUGOAFN-CYBMUJFWSA-N 2 0 293.411 1.811 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)Cc2ccncc2)O1 ZINC000052481008 519954415 /nfs/dbraw/zinc/95/44/15/519954415.db2.gz RXWMXKRTBONIDG-LSDHHAIUSA-N 2 0 263.385 1.671 10 0 CDAERP CC[NH2+]C[C@H](C(C)C)N1CC[NH+](CC2CC2)CC1 ZINC000052372377 519957637 /nfs/dbraw/zinc/95/76/37/519957637.db2.gz HUEZHKSZSOEYTQ-OAHLLOKOSA-N 2 0 253.434 1.648 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)Nc1c[nH+]ccc1N(C)C ZINC000061231031 519970426 /nfs/dbraw/zinc/97/04/26/519970426.db2.gz RBYCQXPJIJLOFN-JTQLQIEISA-N 2 0 250.346 1.332 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@@H](COCC[NH+](CC)CC)O1 ZINC000052672005 519980454 /nfs/dbraw/zinc/98/04/54/519980454.db2.gz LNHMTVLZWSSQIY-KGLIPLIRSA-N 2 0 258.406 1.502 10 0 CDAERP CC[NH2+]Cc1cn(CC[NH+]2CCCCCCC2)nn1 ZINC000052424984 520014303 /nfs/dbraw/zinc/01/43/03/520014303.db2.gz SSMLPXACCBZEGA-UHFFFAOYSA-N 2 0 265.405 1.654 10 0 CDAERP CC[NH2+]Cc1occc1CN1CC[NH+](C(C)C)CC1 ZINC000052480046 520030755 /nfs/dbraw/zinc/03/07/55/520030755.db2.gz DWZSVTISTYZBEP-UHFFFAOYSA-N 2 0 265.401 1.915 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@H]1CCC[C@H](C[NH3+])C1 ZINC000055145714 520617874 /nfs/dbraw/zinc/61/78/74/520617874.db2.gz LIDOFMOQYPNAKP-KBPBESRZSA-N 2 0 269.433 1.600 10 0 CDAERP CC[NH+](CC)CCNC(=O)C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000055123011 520670451 /nfs/dbraw/zinc/67/04/51/520670451.db2.gz RKAMWEDEGQGHAU-CHWSQXEVSA-N 2 0 255.406 1.352 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000337333756 520854704 /nfs/dbraw/zinc/85/47/04/520854704.db2.gz ZKRWHJNEUMBKBO-KFWWJZLASA-N 2 0 296.459 1.643 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(CC[NH2+]C2CCCC2)C1 ZINC000062974400 520873052 /nfs/dbraw/zinc/87/30/52/520873052.db2.gz NLTLTGPRXVKIOF-HNNXBMFYSA-N 2 0 253.434 1.935 10 0 CDAERP CCC[C@H](C[NH3+])C(=O)N1CC[NH+]([C@H](C)CC)CC1 ZINC000055071284 521100065 /nfs/dbraw/zinc/10/00/65/521100065.db2.gz YHZBRBHZZVKQFH-CHWSQXEVSA-N 2 0 255.406 1.304 10 0 CDAERP CC[N@H+](CCOCC(F)(F)F)C1CC[NH2+]CC1 ZINC000049311720 521140896 /nfs/dbraw/zinc/14/08/96/521140896.db2.gz FFCBQVMPKOJQJN-UHFFFAOYSA-N 2 0 254.296 1.639 10 0 CDAERP CCCC[C@H](CC)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000069382240 521180713 /nfs/dbraw/zinc/18/07/13/521180713.db2.gz HTZLJKWWIBHFQV-LSDHHAIUSA-N 2 0 281.444 1.851 10 0 CDAERP CCC(CC)N1C(=O)C[C@@H]([NH2+]CCCC[NH+](C)C)C1=O ZINC000045694330 521562335 /nfs/dbraw/zinc/56/23/35/521562335.db2.gz DOZSWTODDSMRDZ-CYBMUJFWSA-N 2 0 283.416 1.234 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)COc1ccccc1C[NH3+] ZINC000061642260 521828310 /nfs/dbraw/zinc/82/83/10/521828310.db2.gz PSDYUEYTAWQIFL-AWEZNQCLSA-N 2 0 291.395 1.077 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1CC[NH2+]CCc1ccsc1 ZINC000061655218 521837397 /nfs/dbraw/zinc/83/73/97/521837397.db2.gz CZLJZEODIHNIHT-HNNXBMFYSA-N 2 0 281.469 1.906 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)[C@](C)([NH3+])c1ccccc1 ZINC000061645146 521864569 /nfs/dbraw/zinc/86/45/69/521864569.db2.gz PCEWFBZZRVPPHK-GDBMZVCRSA-N 2 0 275.396 1.413 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1[C@@H]1C[NH2+]Cc2ccccc21 ZINC000069267105 521873474 /nfs/dbraw/zinc/87/34/74/521873474.db2.gz RJDCRWDFPQKOPL-GDBMZVCRSA-N 2 0 259.397 1.857 10 0 CDAERP C[NH+](C)[C@@H]1CCN(CCCOc2cccc(C[NH3+])c2)C1 ZINC000062964385 522053206 /nfs/dbraw/zinc/05/32/06/522053206.db2.gz DQRRLFVYFAJVHR-OAHLLOKOSA-N 2 0 277.412 1.550 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(c2cc(C(N)=[NH2+])ccn2)CC1 ZINC000055067154 522133712 /nfs/dbraw/zinc/13/37/12/522133712.db2.gz UAOZNMCNQNTCLF-LLVKDONJSA-N 2 0 261.373 1.286 10 0 CDAERP C[NH2+]Cc1oc(C[N@H+](CCCOC)CCOC)cc1C ZINC000052543335 522159687 /nfs/dbraw/zinc/15/96/87/522159687.db2.gz AUPDZJLGDJFKSS-UHFFFAOYSA-N 2 0 284.400 1.792 10 0 CDAERP C[NH2+]Cc1oc(CN2CCC[C@H]2C[NH+](C)C)cc1C ZINC000061654752 522162146 /nfs/dbraw/zinc/16/21/46/522162146.db2.gz WIZQZRDHZVKLKM-ZDUSSCGKSA-N 2 0 265.401 1.833 10 0 CDAERP C[NH2+]Cc1occc1C[N@H+](CCOC)[C@H](C)COC ZINC000052572345 522164372 /nfs/dbraw/zinc/16/43/72/522164372.db2.gz FORKXSBTBOBIBR-GFCCVEGCSA-N 2 0 270.373 1.482 10 0 CDAERP C[NH2+][C@@](C)(CCC[NH+]1CCC(C(C)(C)C)CC1)C(N)=O ZINC000050348350 522408883 /nfs/dbraw/zinc/40/88/83/522408883.db2.gz HRFDGSPRDOSJNW-INIZCTEOSA-N 2 0 283.460 1.988 10 0 CDAERP C[NH2+][C@H]1CCCCC[C@@H]1CN1CCN(CC[NH+](C)C)CC1 ZINC000061653805 522489525 /nfs/dbraw/zinc/48/95/25/522489525.db2.gz FOTMHYBAAFTVFT-SJORKVTESA-N 2 0 296.503 1.334 10 0 CDAERP C[NH2+][C@](C)(CCC[N@@H+]1CCCC(C)(C)C1)C(N)=O ZINC000069516656 522513682 /nfs/dbraw/zinc/51/36/82/522513682.db2.gz ATXHVFVVISQPHW-CQSZACIVSA-N 2 0 255.406 1.352 10 0 CDAERP CC[C@@H](C[NH2+]C1CC1)N1CC[NH+](C(C)(C)C)CC1 ZINC000052571590 522545619 /nfs/dbraw/zinc/54/56/19/522545619.db2.gz BFUFJOFFNWPUOB-AWEZNQCLSA-N 2 0 253.434 1.933 10 0 CDAERP CC[C@](C)(C[NH2+]C1CC1)CN1CC[C@H]([NH+](C)C)C1 ZINC000062969936 523464796 /nfs/dbraw/zinc/46/47/96/523464796.db2.gz VHSMHGMHECIZER-LSDHHAIUSA-N 2 0 253.434 1.791 10 0 CDAERP COCC[N@H+](C)CCNC(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000061400669 523597098 /nfs/dbraw/zinc/59/70/98/523597098.db2.gz FXVPPRNUMZGHEN-LBPRGKRZSA-N 2 0 294.399 1.406 10 0 CDAERP COCC[N@H+](Cc1cc(C[NH3+])c(C)o1)[C@@H](C)COC ZINC000052572340 523740467 /nfs/dbraw/zinc/74/04/67/523740467.db2.gz KFCIMFSAGQVIHK-NSHDSACASA-N 2 0 270.373 1.530 10 0 CDAERP COCC[N@@H+](Cc1cc[nH+]c(NN)c1)CC(C)C ZINC000052719270 523768843 /nfs/dbraw/zinc/76/88/43/523768843.db2.gz BAYACXUYEDDRID-UHFFFAOYSA-N 2 0 252.362 1.472 10 0 CDAERP C[N@@H+]1CCCN(Cc2[nH+]c(NN)ccc2Cl)CC1 ZINC000061639034 523810596 /nfs/dbraw/zinc/81/05/96/523810596.db2.gz WESHFGNVNLTWLB-UHFFFAOYSA-N 2 0 269.780 1.158 10 0 CDAERP C[NH+]1CCN(CC[NH2+]Cc2cccc3cnccc32)CC1 ZINC000061125368 523903939 /nfs/dbraw/zinc/90/39/39/523903939.db2.gz TVKMWTPRFMUELU-UHFFFAOYSA-N 2 0 284.407 1.572 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)C2(C[NH3+])CCCCC2)CC1 ZINC000055071193 523948011 /nfs/dbraw/zinc/94/80/11/523948011.db2.gz APUVBTUFMRVMIC-AWEZNQCLSA-N 2 0 281.444 1.838 10 0 CDAERP CC[C@H](C)[NH+]1CCN(CCC[C@H]2CCC[NH2+]2)CC1 ZINC000055066935 523953349 /nfs/dbraw/zinc/95/33/49/523953349.db2.gz ASZKOSSKIGAKOJ-LSDHHAIUSA-N 2 0 253.434 1.935 10 0 CDAERP CC[C@H](C)[NH+]1CCN([C@@H](C[NH3+])C2CCCC2)CC1 ZINC000055064365 523957758 /nfs/dbraw/zinc/95/77/58/523957758.db2.gz RAZZOIKKOQMELN-ZFWWWQNUSA-N 2 0 253.434 1.920 10 0 CDAERP C[NH+](C)C1CCN(CC2(C[NH2+]C3CC3)CCOCC2)CC1 ZINC000052181712 524039382 /nfs/dbraw/zinc/03/93/82/524039382.db2.gz LPUVSNJZYNONCJ-UHFFFAOYSA-N 2 0 295.471 1.561 10 0 CDAERP C[NH+](C)CC1CC[NH+](CCCC[C@](C)([NH3+])C(=O)[O-])CC1 ZINC000045422066 524050031 /nfs/dbraw/zinc/05/00/31/524050031.db2.gz JFMMUZLQRYLBAB-HNNXBMFYSA-N 2 0 285.432 1.232 10 0 CDAERP C[NH+](C)CCN(C(=O)c1ccccc1)C1CC[NH+](C)CC1 ZINC000070286403 524059867 /nfs/dbraw/zinc/05/98/67/524059867.db2.gz CSJUUODDVQQEMA-UHFFFAOYSA-N 2 0 289.423 1.785 10 0 CDAERP C[C@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)NCC1CC[NH+](C)CC1 ZINC000055140211 524144117 /nfs/dbraw/zinc/14/41/17/524144117.db2.gz QHYMHEWZZNJMEP-IACUBPJLSA-N 2 0 267.417 1.208 10 0 CDAERP C[C@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)NCC[NH+]1CCCCC1 ZINC000055138384 524204705 /nfs/dbraw/zinc/20/47/05/524204705.db2.gz BGFDWEKFADJFMA-MELADBBJSA-N 2 0 267.417 1.352 10 0 CDAERP C[C@H](CN1CCOCC1)NC(=O)CCC1CCC([NH3+])CC1 ZINC000055141629 524351289 /nfs/dbraw/zinc/35/12/89/524351289.db2.gz HTJDXHZOMBDOMD-WLYUNCDWSA-N 2 0 297.443 1.121 10 0 CDAERP C[C@H]1CC[C@H](C(=O)NCCCC[NH+](C)C)C[C@@H]1[NH3+] ZINC000055138925 524380057 /nfs/dbraw/zinc/38/00/57/524380057.db2.gz DUCVBVNTJCRQBO-AVGNSLFASA-N 2 0 255.406 1.208 10 0 CDAERP C[C@@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)NCC(C)(C)[NH+](C)C ZINC000055141726 524391959 /nfs/dbraw/zinc/39/19/59/524391959.db2.gz KFUWHWOURRGMIM-GRYCIOLGSA-N 2 0 255.406 1.206 10 0 CDAERP COc1ccccc1C[N@H+](C)CC1(O)CC[NH2+]CC1 ZINC000051016307 524434405 /nfs/dbraw/zinc/43/44/05/524434405.db2.gz ZMFOIEWAALSSCO-UHFFFAOYSA-N 2 0 264.369 1.242 10 0 CDAERP C[C@H](C[NH2+]C1CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000052417087 524479655 /nfs/dbraw/zinc/47/96/55/524479655.db2.gz FNZIBQYZOKGYKZ-OAHLLOKOSA-N 2 0 273.424 1.945 10 0 CDAERP C[C@H](C[NH2+]C[C@@H]1CCCO1)N1CCC[C@@H]1C[NH+](C)C ZINC000061655060 524483455 /nfs/dbraw/zinc/48/34/55/524483455.db2.gz VSBCMJLNOKGOEG-KFWWJZLASA-N 2 0 269.433 1.170 10 0 CDAERP C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc(F)ccc1C[NH3+] ZINC000069401397 524568610 /nfs/dbraw/zinc/56/86/10/524568610.db2.gz QOBKXPOOLWGADQ-ZYHUDNBSSA-N 2 0 279.359 1.370 10 0 CDAERP C[C@@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062943665 524684038 /nfs/dbraw/zinc/68/40/38/524684038.db2.gz JFAFHPZPIPLJCY-BARDWOONSA-N 2 0 279.428 1.447 10 0 CDAERP C[C@@H]1C[C@@H](C(=O)NC[C@@H]2CCC[N@H+](C)C2)CC[C@@H]1[NH3+] ZINC000055138491 525187780 /nfs/dbraw/zinc/18/77/80/525187780.db2.gz BHQKAIZBJLHKKB-RFGFWPKPSA-N 2 0 267.417 1.208 10 0 CDAERP C[C@@H]1[C@@H]([NH3+])CCC[C@@H]1C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000055134918 525664438 /nfs/dbraw/zinc/66/44/38/525664438.db2.gz HVSSVUDGXHRBQS-QEJZJMRPSA-N 2 0 281.444 1.550 10 0 CDAERP Cc1ccc(C(N)=[NH2+])c(N2CCC([NH+](C)C)CC2)c1 ZINC000051579257 526013463 /nfs/dbraw/zinc/01/34/63/526013463.db2.gz SXVPIEQZIGJXOW-UHFFFAOYSA-N 2 0 260.385 1.809 10 0 CDAERP O=C(CC[C@H]1CCCC[NH2+]1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000050947798 526564408 /nfs/dbraw/zinc/56/44/08/526564408.db2.gz IAUZDYCTGBRHPN-HZPDHXFCSA-N 2 0 293.455 1.996 10 0 CDAERP O=C(CC[C@H]1CCCC[NH2+]1)NCC[NH+]1CCCC1 ZINC000050942028 526564915 /nfs/dbraw/zinc/56/49/15/526564915.db2.gz QILDJKHQMKYLFP-CYBMUJFWSA-N 2 0 253.390 1.121 10 0 CDAERP Cc1oc(CN2CC[NH+](C(C)(C)C)CC2)cc1C[NH3+] ZINC000052571629 526770941 /nfs/dbraw/zinc/77/09/41/526770941.db2.gz NUVDHJFPEUWKOL-UHFFFAOYSA-N 2 0 265.401 1.963 10 0 CDAERP NC(=[NH2+])c1cc(C[N@H+](CCO)C2CCCCC2)ccn1 ZINC000068761562 526819947 /nfs/dbraw/zinc/81/99/47/526819947.db2.gz VWRCIPLDIQRYAV-UHFFFAOYSA-N 2 0 276.384 1.493 10 0 CDAERP [NH3+]Cc1cccc(CN2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000062972466 527258704 /nfs/dbraw/zinc/25/87/04/527258704.db2.gz FPDZDUUJZNVPNP-MRXNPFEDSA-N 2 0 259.397 1.815 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H](CC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000055136260 527349822 /nfs/dbraw/zinc/34/98/22/527349822.db2.gz UHXPTXKBEKDOHW-HUUCEWRRSA-N 2 0 281.444 1.886 10 0 CDAERP Cc1nn(C)c(N2CCC[C@H]2C[NH+](C)C)c1C[NH2+]C(C)C ZINC000061646054 527675939 /nfs/dbraw/zinc/67/59/39/527675939.db2.gz YAKNYZYFKHWYEU-AWEZNQCLSA-N 2 0 293.459 1.757 10 0 CDAERP CC(C)[C@H]([NH3+])CNC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000418395824 535072134 /nfs/dbraw/zinc/07/21/34/535072134.db2.gz CHFLFPLWMAOCDC-OAHLLOKOSA-N 2 0 292.427 1.183 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000262070046 535263755 /nfs/dbraw/zinc/26/37/55/535263755.db2.gz RYYICZRCXFVCQO-LSDHHAIUSA-N 2 0 253.434 1.650 10 0 CDAERP C[NH+](C)CCOC1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261765909 535893027 /nfs/dbraw/zinc/89/30/27/535893027.db2.gz MBISKXDNIQWGBQ-OAHLLOKOSA-N 3 0 269.433 1.029 10 0 CDAERP CC[N@@H+]1CCN(C(=O)NCCC[NH+](C)CC(C)C)[C@@H](C)C1 ZINC001682457603 1174615100 /nfs/dbraw/zinc/61/51/00/1174615100.db2.gz XQGQUMQDLCKEAX-HNNXBMFYSA-N 2 0 298.475 1.700 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@H]2C[C@H]21)c1ccccc1 ZINC000771764719 575609234 /nfs/dbraw/zinc/60/92/34/575609234.db2.gz IWCIISHYHYMSQY-ARFHVFGLSA-N 2 0 287.407 1.500 10 0 CDAERP C[NH+]1CCC([C@@H]2CC[N@H+](CN3CCOC3=S)C2)CC1 ZINC000755780375 576960729 /nfs/dbraw/zinc/96/07/29/576960729.db2.gz XXJUZBHVBDKYDG-CYBMUJFWSA-N 2 0 283.441 1.225 10 0 CDAERP CCCCCC[C@H](C)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000840732837 620675669 /nfs/dbraw/zinc/67/56/69/620675669.db2.gz ITRNQDHICSSTJL-HOTGVXAUSA-N 2 0 285.476 1.543 10 0 CDAERP CC[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001690199121 1175402577 /nfs/dbraw/zinc/40/25/77/1175402577.db2.gz KGKJFTHAAQNKDM-AWEZNQCLSA-N 2 0 269.433 1.517 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CC[C@H]([NH2+]CC2CCC2)C1 ZINC001690255631 1175411958 /nfs/dbraw/zinc/41/19/58/1175411958.db2.gz RKYWRYWKVGLWQS-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925540958 617481731 /nfs/dbraw/zinc/48/17/31/617481731.db2.gz JLARFHRUOYDTKW-RRFJBIMHSA-N 3 0 285.476 1.839 10 0 CDAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccnnc1 ZINC000926203209 617517174 /nfs/dbraw/zinc/51/71/74/617517174.db2.gz VWSBTERWWUMGCC-KGLIPLIRSA-N 2 0 277.416 1.153 10 0 CDAERP CCn1cccc(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)c1=O ZINC000925654746 617597322 /nfs/dbraw/zinc/59/73/22/617597322.db2.gz CKQWXQIZSANMBB-KGLIPLIRSA-N 2 0 277.412 1.864 10 0 CDAERP COC(=O)N1CCC(C[NH2+][C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925671501 617630537 /nfs/dbraw/zinc/63/05/37/617630537.db2.gz QZFFLRRFAUOXJZ-AWEZNQCLSA-N 2 0 295.427 1.729 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@H]2CCCCN2CCO)C1 ZINC000925681141 617654918 /nfs/dbraw/zinc/65/49/18/617654918.db2.gz SMMGETDFFCYKBD-RBSFLKMASA-N 2 0 283.460 1.329 10 0 CDAERP CO[C@H]1C[C@@H](C[N@@H+]2C[C@@]3(C)CN(C)C[C@@]3(C)C2)C1 ZINC000931319315 617717557 /nfs/dbraw/zinc/71/75/57/617717557.db2.gz YBZGAIHUZYCTHU-NMWPEEMBSA-N 2 0 252.402 1.685 10 0 CDAERP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925794955 617722659 /nfs/dbraw/zinc/72/26/59/617722659.db2.gz MUADPFBHMQRLHT-WTTBNOFXSA-N 3 0 275.440 1.780 10 0 CDAERP C[C@@H]1CC[C@@H](C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)O1 ZINC000925696074 617725849 /nfs/dbraw/zinc/72/58/49/617725849.db2.gz SKPDNGHHRVPKRO-XHJNMGKDSA-N 2 0 252.402 1.920 10 0 CDAERP COCC1(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)CC[NH2+]CC1 ZINC000925698115 617734464 /nfs/dbraw/zinc/73/44/64/617734464.db2.gz BXNRTLOCCVYQTC-KBPBESRZSA-N 3 0 283.460 1.498 10 0 CDAERP CCCC[C@H](C[NH3+])N[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925700958 617749348 /nfs/dbraw/zinc/74/93/48/617749348.db2.gz XSJHAQGNUSVOMZ-YIYPIFLZSA-N 2 0 253.434 1.870 10 0 CDAERP C[C@@H](C[NH+]1CCC(C)CC1)N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925708193 617797484 /nfs/dbraw/zinc/79/74/84/617797484.db2.gz QTWAELQMPUZXGD-KKUMJFAQSA-N 2 0 265.445 1.966 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@]1(C(F)(F)F)CCCN1 ZINC000925858940 617898206 /nfs/dbraw/zinc/89/82/06/617898206.db2.gz WZJDDUMCPDNSMK-SYFKIGIZSA-N 2 0 291.361 1.776 10 0 CDAERP O[C@H](C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)CC(F)(F)F ZINC000923363259 618322443 /nfs/dbraw/zinc/32/24/43/618322443.db2.gz BGCVDQMOIMKMPP-SDDRHHMPSA-N 2 0 280.334 1.764 10 0 CDAERP CC[C@H]([NH3+])CNC(=O)C[C@@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000841852077 618365034 /nfs/dbraw/zinc/36/50/34/618365034.db2.gz CLLPVKBGJZKRJK-WDEREUQCSA-N 2 0 284.791 1.287 10 0 CDAERP CC[NH+]1CCC(C[NH2+][C@@H]2CCOC23CCOCC3)CC1 ZINC000924955777 618396643 /nfs/dbraw/zinc/39/66/43/618396643.db2.gz QJHHTTBUZSTBRT-OAHLLOKOSA-N 2 0 282.428 1.646 10 0 CDAERP CN(CC[NH2+]C1[C@@H]2CC[C@H]1C[N@@H+](C)C2)C(=O)OC(C)(C)C ZINC000924910750 618746296 /nfs/dbraw/zinc/74/62/96/618746296.db2.gz NLQFAKYTBRNCHQ-PBWFPOADSA-N 2 0 297.443 1.783 10 0 CDAERP C([NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000902742150 625301481 /nfs/dbraw/zinc/30/14/81/625301481.db2.gz KSJAWNDIYMVBBA-QAYFICHLSA-N 2 0 276.424 1.874 10 0 CDAERP CC(C)(O)C[NH+]1CCC([NH2+]C2CCC3(COC3)CC2)CC1 ZINC000895693728 619801446 /nfs/dbraw/zinc/80/14/46/619801446.db2.gz BGJJMEBFCKOREI-UHFFFAOYSA-N 2 0 296.455 1.771 10 0 CDAERP CC(C)[C@H](C[NH2+]C1[C@H](C)COC[C@H]1C)N1CC[NH+](C)CC1 ZINC000924631376 621610551 /nfs/dbraw/zinc/61/05/51/621610551.db2.gz MIUKWJVISILPQL-OAGGEKHMSA-N 2 0 297.487 1.519 10 0 CDAERP C1C[NH2+][C@@H](c2noc([C@]34CC[NH2+][C@H]3CCCC4)n2)C1 ZINC000900010059 622630761 /nfs/dbraw/zinc/63/07/61/622630761.db2.gz NFFJHEGCGYENQV-UHIISALHSA-N 2 0 262.357 1.668 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)/C=C(\C)CN1CCOCC1 ZINC000900696376 623355182 /nfs/dbraw/zinc/35/51/82/623355182.db2.gz XEXZRGSLOWAXPB-ATGUSINASA-N 2 0 297.443 1.111 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000251809576 625883437 /nfs/dbraw/zinc/88/34/37/625883437.db2.gz OKCRHQUENPNGEN-HZSPNIEDSA-N 2 0 267.417 1.445 10 0 CDAERP CC(C)(C)[NH+]1CCC([NH2+]C2CC(CC(N)=O)C2)CC1 ZINC000903259685 625937233 /nfs/dbraw/zinc/93/72/33/625937233.db2.gz FVNRPKOALQEYKO-UHFFFAOYSA-N 2 0 267.417 1.493 10 0 CDAERP C[C@@H](CS(C)(=O)=O)[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)C1CC1 ZINC000903437389 625991638 /nfs/dbraw/zinc/99/16/38/625991638.db2.gz HQOJWDSSRSWYCN-TUAOUCFPSA-N 2 0 274.430 1.011 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H]1C ZINC000903444603 625998713 /nfs/dbraw/zinc/99/87/13/625998713.db2.gz SHNYFNOTQCOOOM-XGUBFFRZSA-N 3 0 253.434 1.918 10 0 CDAERP C[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCN1CC(F)(F)F ZINC000903457057 626002737 /nfs/dbraw/zinc/00/27/37/626002737.db2.gz LYQSHEYOCFBIJX-UTUOFQBUSA-N 2 0 279.350 1.682 10 0 CDAERP COC[C@H](C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1)C(C)C ZINC000903473966 626004521 /nfs/dbraw/zinc/00/45/21/626004521.db2.gz CPOSWBOGVMLTDK-IRXDYDNUSA-N 2 0 298.471 1.996 10 0 CDAERP C[C@@H]1C[N@H+](CCCC2CC[NH2+]CC2)C[C@H]1CC[NH3+] ZINC000903499140 626009146 /nfs/dbraw/zinc/00/91/46/626009146.db2.gz HJLQUXCRYPUBCL-UKRRQHHQSA-N 3 0 253.434 1.683 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@@H]2COC[C@]2(c2ccccc2)C1 ZINC000903491173 626010929 /nfs/dbraw/zinc/01/09/29/626010929.db2.gz YIOVNCDKIASUBD-ATLSCFEFSA-N 2 0 286.419 1.742 10 0 CDAERP C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903494960 626011671 /nfs/dbraw/zinc/01/16/71/626011671.db2.gz SKLUEYAPVGVFJI-OXGONZEZSA-N 2 0 295.471 1.796 10 0 CDAERP [NH3+][C@@H]1CN(CC[C@@H]2CCC[NH2+]C2)C[C@H]1C(F)(F)F ZINC000903514211 626013367 /nfs/dbraw/zinc/01/33/67/626013367.db2.gz MXEIYWIFPKARDE-HBNTYKKESA-N 2 0 265.323 1.198 10 0 CDAERP [NH3+][C@@H]1CN(C[C@H]2CCC[NH2+]C2)CC[C@H]1C(F)(F)F ZINC000903533108 626018376 /nfs/dbraw/zinc/01/83/76/626018376.db2.gz AVPJAYPKTBPAJZ-HBNTYKKESA-N 2 0 265.323 1.198 10 0 CDAERP C[NH2+]CCN(CCCN1CC[NH+](C(C)C)CC1)C(C)C ZINC000903574011 626029168 /nfs/dbraw/zinc/02/91/68/626029168.db2.gz QOAPGFKNKRPTLU-UHFFFAOYSA-N 2 0 284.492 1.332 10 0 CDAERP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000903769153 626086181 /nfs/dbraw/zinc/08/61/81/626086181.db2.gz YRVYHQLVEANWAP-IKGGRYGDSA-N 2 0 294.439 1.789 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@H+](CCO)CC(C)(C)C)cnn1C ZINC000903890599 626124762 /nfs/dbraw/zinc/12/47/62/626124762.db2.gz FUOVOWLTZBGNOD-CQSZACIVSA-N 2 0 296.459 1.186 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[NH2+]Cc2cccc(F)c2)cnn1C ZINC000903923056 626147928 /nfs/dbraw/zinc/14/79/28/626147928.db2.gz KIUNLCUMKWYXIZ-CQSZACIVSA-N 2 0 290.386 1.775 10 0 CDAERP CCC(CC)[C@@H](O)C[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903923293 626148189 /nfs/dbraw/zinc/14/81/89/626148189.db2.gz QCYLTWZOXLJUOY-FBAPMCOASA-N 2 0 254.418 1.904 10 0 CDAERP [NH3+][C@H](CNc1ccc([C@@H]2C[C@H]2[NH3+])cc1)CC(F)F ZINC000903935956 626154128 /nfs/dbraw/zinc/15/41/28/626154128.db2.gz WOLCISYRTJHRJJ-ZMLRMANQSA-N 2 0 255.312 1.896 10 0 CDAERP C[C@@H]1C[C@H](C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)CC[NH2+]1 ZINC000903958250 626158228 /nfs/dbraw/zinc/15/82/28/626158228.db2.gz XVWQZIVPFXZLRQ-IJLUTSLNSA-N 3 0 261.360 1.209 10 0 CDAERP CC(C)C[C@@H]([NH3+])CN1CCc2sc(C[NH3+])nc2C1 ZINC000903943743 626162324 /nfs/dbraw/zinc/16/23/24/626162324.db2.gz BISRLLDHVUVZTL-SNVBAGLBSA-N 2 0 268.430 1.333 10 0 CDAERP C[C@H]1C[C@H](C[NH2+]C2(c3ncccn3)CCC2)CC[NH2+]1 ZINC000903948414 626163859 /nfs/dbraw/zinc/16/38/59/626163859.db2.gz PVCMOFAGLODIBA-QWHCGFSZSA-N 2 0 260.385 1.834 10 0 CDAERP Cc1cccc2ncc(C[NH2+]C[C@@H]3C[NH2+]C[C@H]3C)n21 ZINC000903964286 626171396 /nfs/dbraw/zinc/17/13/96/626171396.db2.gz HUBIYPSRFLGBMH-YPMHNXCESA-N 2 0 258.369 1.588 10 0 CDAERP C[NH+](C)Cc1cccc(NC(=O)N2C[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000905296553 626725078 /nfs/dbraw/zinc/72/50/78/626725078.db2.gz VSCGNCBRVBTCKL-CQSZACIVSA-N 2 0 290.411 1.949 10 0 CDAERP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)C3(O)CCCC3)CC[C@@H]21 ZINC000905941009 627053982 /nfs/dbraw/zinc/05/39/82/627053982.db2.gz SNNZCFTZOAWIDO-ILXRZTDVSA-N 2 0 282.428 1.069 10 0 CDAERP CN(CCC[NH+]1CCCC1)C(=O)C12CC[NH+](CC1)C2 ZINC000907958510 627925977 /nfs/dbraw/zinc/92/59/77/627925977.db2.gz GATZPKAIAQAPJM-UHFFFAOYSA-N 2 0 265.401 1.027 10 0 CDAERP CC[C@H](C(=O)N[C@]1(C)C[NH+]2CCC1CC2)[NH+](CC)CC ZINC000912377924 629951070 /nfs/dbraw/zinc/95/10/70/629951070.db2.gz HAUQULTZMRETPY-GDBMZVCRSA-N 2 0 281.444 1.707 10 0 CDAERP C[N@@H+]1C[C@@]2(C)CN(C(=O)C3CC[NH+](C)CC3)C[C@@]2(C)C1 ZINC000913270187 630425142 /nfs/dbraw/zinc/42/51/42/630425142.db2.gz SWORNOPEFZFWNM-IYBDPMFKSA-N 2 0 279.428 1.128 10 0 CDAERP C[C@H](C(=O)NC12CC[NH+](CC1)C2)[NH+]1CCCCCC1 ZINC000913629686 630719576 /nfs/dbraw/zinc/71/95/76/630719576.db2.gz IWYHIWZLPMHRSS-CYBMUJFWSA-N 2 0 265.401 1.215 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000914412135 631413621 /nfs/dbraw/zinc/41/36/21/631413621.db2.gz RUKKAVSJGFWLJS-XQQFMLRXSA-N 2 0 270.421 1.109 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)C2(O)CCCC2)[C@@H](C)C1 ZINC000930001298 632300080 /nfs/dbraw/zinc/30/00/80/632300080.db2.gz UAFJJQDDCQEWCI-KKUMJFAQSA-N 2 0 284.444 1.315 10 0 CDAERP CC[N@H+](C)CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001690988346 1158515736 /nfs/dbraw/zinc/51/57/36/1158515736.db2.gz GZBRPGGKEWCNQN-OLZOCXBDSA-N 2 0 255.406 1.175 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)NC(C)(C)C[NH+](C)C)C1 ZINC001625837577 1158519453 /nfs/dbraw/zinc/51/94/53/1158519453.db2.gz XEFPBLFBGNRYNP-ZDUSSCGKSA-N 2 0 269.433 1.563 10 0 CDAERP CC[NH2+]C[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001266826659 1158871602 /nfs/dbraw/zinc/87/16/02/1158871602.db2.gz VIJZLWDMCMQVEA-ZDUSSCGKSA-N 2 0 255.406 1.175 10 0 CDAERP CCC[NH2+]CC[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001698682807 1159020866 /nfs/dbraw/zinc/02/08/66/1159020866.db2.gz MTOIRIDYEHUSAL-OAHLLOKOSA-N 2 0 293.455 1.711 10 0 CDAERP CC(C)=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001266527052 1158586769 /nfs/dbraw/zinc/58/67/69/1158586769.db2.gz DCPUBABEJBVDRK-QLFBSQMISA-N 2 0 279.428 1.483 10 0 CDAERP CC(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001670454283 1158609759 /nfs/dbraw/zinc/60/97/59/1158609759.db2.gz AQFWDQXHLSUZRU-KBPBESRZSA-N 2 0 267.417 1.221 10 0 CDAERP CCCC[NH2+]C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001670545719 1158635502 /nfs/dbraw/zinc/63/55/02/1158635502.db2.gz YJMCEKTWYDAHMK-UKRRQHHQSA-N 2 0 281.444 1.613 10 0 CDAERP Cc1nocc1C[NH2+]CCN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001266726465 1158792324 /nfs/dbraw/zinc/79/23/24/1158792324.db2.gz WVQRSDNKQIAXSP-UHFFFAOYSA-N 2 0 294.399 1.015 10 0 CDAERP CC(C)[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001268552272 1159968893 /nfs/dbraw/zinc/96/88/93/1159968893.db2.gz KXXFWOBQVYSUIS-BLDJZWNYSA-N 2 0 262.357 1.184 10 0 CDAERP CC(C)C[NH2+]CC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001272995483 1161473130 /nfs/dbraw/zinc/47/31/30/1161473130.db2.gz ZKRRAIADSNCZEG-CYBMUJFWSA-N 2 0 269.433 1.469 10 0 CDAERP C[NH+](C)C1(C(=O)NCCC[NH+]2CCCC2)CCCC1 ZINC001623340746 1165765774 /nfs/dbraw/zinc/76/57/74/1165765774.db2.gz HJKVAMBOSQGLJC-UHFFFAOYSA-N 2 0 267.417 1.463 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC001629095242 1166113044 /nfs/dbraw/zinc/11/30/44/1166113044.db2.gz CLXXOUFELXBQJP-STQMWFEESA-N 2 0 255.406 1.127 10 0 CDAERP CCN1CC[C@@H]1C(=O)NCCC[N@H+](C)CC(C)C ZINC001644416689 1167315023 /nfs/dbraw/zinc/31/50/23/1167315023.db2.gz QKZXEXUUMHKJAE-CYBMUJFWSA-N 2 0 255.406 1.175 10 0 CDAERP C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1 ZINC001647010605 1168346040 /nfs/dbraw/zinc/34/60/40/1168346040.db2.gz MVLDUWXOZQIMCA-RRFJBIMHSA-N 2 0 291.439 1.319 10 0 CDAERP c1cc(CN2CCC[N@@H+]3CCC[C@@H]3C2)n(-c2cc[nH+]cc2)n1 ZINC001647287452 1168526063 /nfs/dbraw/zinc/52/60/63/1168526063.db2.gz IVGYCVFCSNANJF-MRXNPFEDSA-N 2 0 297.406 1.937 10 0 CDAERP CCO[C@@H](C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1)C1CC1 ZINC001647977987 1169085739 /nfs/dbraw/zinc/08/57/39/1169085739.db2.gz SLGNZFDEDUPKJV-ILXRZTDVSA-N 2 0 252.402 1.685 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]CCC(F)(F)F ZINC001568312805 1169239649 /nfs/dbraw/zinc/23/96/49/1169239649.db2.gz QXCYQOAGNVRUSY-LLVKDONJSA-N 2 0 297.365 1.717 10 0 CDAERP COCCCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H](C)C1 ZINC001671242905 1169241560 /nfs/dbraw/zinc/24/15/60/1169241560.db2.gz AAAUGXUSPYHHSL-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCCC[C@H]1[NH3+])[N@@H+]1CCCC[C@H]1C ZINC001649856517 1169437744 /nfs/dbraw/zinc/43/77/44/1169437744.db2.gz NWMCQHSCBFHNNW-KBUPBQIOSA-N 2 0 281.444 1.883 10 0 CDAERP O=C(C[NH+]1CCCC1)NC/C=C\C[NH2+]C/C=C/Cl ZINC001568964247 1169566849 /nfs/dbraw/zinc/56/68/49/1169566849.db2.gz PNGFIRPNYVWUCF-SVDNXBLGSA-N 2 0 271.792 1.097 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001568998982 1169586055 /nfs/dbraw/zinc/58/60/55/1169586055.db2.gz FCNZJBZIOOXNQM-ZIAGYGMSSA-N 2 0 299.434 1.705 10 0 CDAERP C[C@@H](C[N@H+](C)CC1CCC1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001569151724 1169693380 /nfs/dbraw/zinc/69/33/80/1169693380.db2.gz NQWXWKJVKOYZFS-JSGCOSHPSA-N 2 0 267.417 1.175 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001570502452 1170171614 /nfs/dbraw/zinc/17/16/14/1170171614.db2.gz AFFCFITVAVTTRR-UHFFFAOYSA-N 2 0 269.433 1.519 10 0 CDAERP COCC[N@@H+](CC1=NOCC1)CC1CC[NH+](C)CC1 ZINC001654463219 1171613977 /nfs/dbraw/zinc/61/39/77/1171613977.db2.gz PVBVIRADZZEOAG-UHFFFAOYSA-N 2 0 269.389 1.053 10 0 CDAERP CN(CC[NH2+]CC1CC1)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001664309139 1172838086 /nfs/dbraw/zinc/83/80/86/1172838086.db2.gz HHQRKXMZGSLCHP-GJZGRUSLSA-N 2 0 281.444 1.565 10 0 CDAERP CC1CC(C[NH2+]CCN(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001664391592 1172848075 /nfs/dbraw/zinc/84/80/75/1172848075.db2.gz ORJWDUCMLOBQPM-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCC1CC1 ZINC001665764651 1173056120 /nfs/dbraw/zinc/05/61/20/1173056120.db2.gz DNMGFPRGZMCHDO-KBPBESRZSA-N 2 0 267.417 1.365 10 0 CDAERP Cc1nc[nH]c1CC(=O)NC[C@H](C)C[NH2+]C/C=C\Cl ZINC001666657257 1173168004 /nfs/dbraw/zinc/16/80/04/1173168004.db2.gz WMGPRYRNMSEGND-UMBAGQNISA-N 2 0 284.791 1.355 10 0 CDAERP CC(C)=CC[NH2+]C/C=C\CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001669151025 1173510355 /nfs/dbraw/zinc/51/03/55/1173510355.db2.gz MTBHHDCWDIKOHM-ZPIQOJFGSA-N 2 0 281.444 1.801 10 0 CDAERP CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001674781340 1174010032 /nfs/dbraw/zinc/01/00/32/1174010032.db2.gz WBELEANHHUJBNC-UONOGXRCSA-N 2 0 269.433 1.755 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC001595810798 1174216905 /nfs/dbraw/zinc/21/69/05/1174216905.db2.gz UMHNTEZRFQPPQD-ZIAGYGMSSA-N 2 0 269.433 1.422 10 0 CDAERP CC[C@H](C)C[NH2+][C@H](C)CCNC(=O)C[NH+]1CCCC1 ZINC001690879442 1175598769 /nfs/dbraw/zinc/59/87/69/1175598769.db2.gz IIKZXCKEIPIJEP-UONOGXRCSA-N 2 0 269.433 1.613 10 0 CDAERP CCCCC[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001690941386 1175622058 /nfs/dbraw/zinc/62/20/58/1175622058.db2.gz AXGHTGCBPZGQEJ-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP C[NH+](C)CCCC(=O)N1CCC[C@@H](CC[NH2+]CCF)C1 ZINC001698678773 1175893855 /nfs/dbraw/zinc/89/38/55/1175893855.db2.gz DQEXWDPSTPBYOM-AWEZNQCLSA-N 2 0 287.423 1.516 10 0 CDAERP CCOCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001698762139 1175923180 /nfs/dbraw/zinc/92/31/80/1175923180.db2.gz SLSDZWDQPCGDFH-KKUMJFAQSA-N 2 0 299.459 1.095 10 0 CDAERP CC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001699181877 1176130546 /nfs/dbraw/zinc/13/05/46/1176130546.db2.gz WTGAGPOLAOTFNG-ZDUSSCGKSA-N 2 0 255.406 1.317 10 0 CDAERP CCN(CC[NH2+]CC(C)C)C(=O)C1(C[NH+](C)C)CC1 ZINC001699201727 1176137213 /nfs/dbraw/zinc/13/72/13/1176137213.db2.gz RWLSZBDILKNHHE-UHFFFAOYSA-N 2 0 269.433 1.422 10 0 CDAERP CCN(CC[NH2+]CCOC)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001699210310 1176140160 /nfs/dbraw/zinc/14/01/60/1176140160.db2.gz FDAASRQWCIFRJI-UHFFFAOYSA-N 2 0 299.459 1.191 10 0 CDAERP CCN(CC[NH2+]Cc1cncs1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001699217135 1176144019 /nfs/dbraw/zinc/14/40/19/1176144019.db2.gz RAROGSJDINULFY-LBPRGKRZSA-N 2 0 296.440 1.033 10 0 CDAERP CC(C)[C@@H](C(=O)NC/C=C/C[NH2+]C/C=C/Cl)[NH+](C)C ZINC001699269796 1176189610 /nfs/dbraw/zinc/18/96/10/1176189610.db2.gz GOALPPNBCQIWFL-IYKPNBQOSA-N 2 0 287.835 1.587 10 0 CDAERP C[NH+](C)CCC(=O)NC/C=C\C[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001699298911 1176208425 /nfs/dbraw/zinc/20/84/25/1176208425.db2.gz LSZUREZMSMGOEV-OFMMPJDCSA-N 2 0 293.455 1.636 10 0 CDAERP CC(C)CC[NH2+]C/C=C\CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001699333969 1176249698 /nfs/dbraw/zinc/24/96/98/1176249698.db2.gz CLLYDSSSOYKDCN-XVWMLYKFSA-N 2 0 281.444 1.636 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]1CC[N@@H+]1CC1CCC1)[NH+](C)C ZINC001699629874 1176527018 /nfs/dbraw/zinc/52/70/18/1176527018.db2.gz XJZMBKRLZADISB-UONOGXRCSA-N 2 0 267.417 1.317 10 0 CDAERP CC(C)CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001700472105 1176960851 /nfs/dbraw/zinc/96/08/51/1176960851.db2.gz XZHIECDTESAJFJ-ZIAGYGMSSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)[NH2+]CCC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001700674188 1177069830 /nfs/dbraw/zinc/06/98/30/1177069830.db2.gz QUGRMMYWUFJDAI-ZDUSSCGKSA-N 2 0 269.433 1.611 10 0 CDAERP CCOCC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001700687210 1177074299 /nfs/dbraw/zinc/07/42/99/1177074299.db2.gz DSNDFRWWODSKFQ-HNNXBMFYSA-N 2 0 297.443 1.040 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001700766702 1177121868 /nfs/dbraw/zinc/12/18/68/1177121868.db2.gz HSOOAJDBGKNSEQ-CYBMUJFWSA-N 2 0 255.406 1.341 10 0 CDAERP CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001712998014 1178292182 /nfs/dbraw/zinc/29/21/82/1178292182.db2.gz BGWIRDHWCUCTBJ-KGLIPLIRSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)COCC[NH2+]CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001713630189 1178689084 /nfs/dbraw/zinc/68/90/84/1178689084.db2.gz GXLXJXPSIGQQGC-UHFFFAOYSA-N 2 0 299.459 1.049 10 0 CDAERP CCC[N@H+](CCCNC(=O)C[NH+]1CCCC1)C(C)C ZINC001713695103 1178712385 /nfs/dbraw/zinc/71/23/85/1178712385.db2.gz IBEIOEZCGVWKGO-UHFFFAOYSA-N 2 0 269.433 1.709 10 0 CDAERP CCC[N@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)C(C)C ZINC001713694275 1178712793 /nfs/dbraw/zinc/71/27/93/1178712793.db2.gz DULRFFIDWHEIJH-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CC/C=C\CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001713966029 1178897345 /nfs/dbraw/zinc/89/73/45/1178897345.db2.gz GRWMISNKSXVSLG-VMPYYGSESA-N 2 0 279.428 1.531 10 0 CDAERP CC[N@H+](C)CCC(=O)NC1CCC([NH2+]CCCF)CC1 ZINC001714197485 1179010795 /nfs/dbraw/zinc/01/07/95/1179010795.db2.gz GJCAIPLTXVJANG-UHFFFAOYSA-N 2 0 287.423 1.705 10 0 CDAERP CC(C)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001714235529 1179038697 /nfs/dbraw/zinc/03/86/97/1179038697.db2.gz JYJYOIMWZYPLJR-KGLIPLIRSA-N 2 0 269.433 1.610 10 0 CDAERP C[NH+](C)CC1(C(=O)N2CCC[C@@H]2C[NH2+]CCCF)CC1 ZINC001714346029 1179099955 /nfs/dbraw/zinc/09/99/55/1179099955.db2.gz SHSFUCHIKLKJSX-CYBMUJFWSA-N 2 0 285.407 1.268 10 0 CDAERP CC(C)OCC[NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001714742641 1179369266 /nfs/dbraw/zinc/36/92/66/1179369266.db2.gz NGWWVZQNUKPMPU-UHFFFAOYSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@H](C[NH2+]CC1CC1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001714750825 1179376768 /nfs/dbraw/zinc/37/67/68/1179376768.db2.gz OHOVELSRDOTBFW-CHWSQXEVSA-N 2 0 267.417 1.175 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001714821242 1179411170 /nfs/dbraw/zinc/41/11/70/1179411170.db2.gz GVAMVTXXJUQNCT-STQMWFEESA-N 2 0 285.407 1.267 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@](C)(C[NH2+]CCCF)C2CC2)C1 ZINC001715115742 1179556803 /nfs/dbraw/zinc/55/68/03/1179556803.db2.gz HLOCKNUGEGMBRT-CZUORRHYSA-N 2 0 299.434 1.562 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CC1CC1 ZINC001715207797 1179577060 /nfs/dbraw/zinc/57/70/60/1179577060.db2.gz YXIFVKLAXLZLFU-JKSUJKDBSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@H]([NH2+]CCCF)[C@H]1CCCN(C(=O)Cc2cnc[nH]2)C1 ZINC001715316857 1179619513 /nfs/dbraw/zinc/61/95/13/1179619513.db2.gz SUBFZOBYOBUFDM-STQMWFEESA-N 2 0 296.390 1.529 10 0 CDAERP C[C@@H](C[NH2+]CCCCCF)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001715373626 1179647813 /nfs/dbraw/zinc/64/78/13/1179647813.db2.gz GBIDUVFOLTWRAK-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001715642975 1179750360 /nfs/dbraw/zinc/75/03/60/1179750360.db2.gz BKMPQOGRPOMBAU-ZIAGYGMSSA-N 2 0 269.433 1.752 10 0 CDAERP CC[NH2+]CCN(CC)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001715775459 1179800197 /nfs/dbraw/zinc/80/01/97/1179800197.db2.gz NLAPHWYFHIUBAN-BETUJISGSA-N 2 0 255.406 1.317 10 0 CDAERP CC(C)=CC[NH2+]C/C=C\CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001715814966 1179841117 /nfs/dbraw/zinc/84/11/17/1179841117.db2.gz CSWQCHHISQYBDM-MJSXRHKHSA-N 2 0 291.439 1.556 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+]CCC2CC2)C1 ZINC001715909052 1179908360 /nfs/dbraw/zinc/90/83/60/1179908360.db2.gz OTLPAKZAOPZMFQ-HSWBROFVSA-N 2 0 265.401 1.000 10 0 CDAERP CCCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001715930607 1179924627 /nfs/dbraw/zinc/92/46/27/1179924627.db2.gz WXMYMLAZTBIPLE-JHJVBQTASA-N 2 0 255.406 1.221 10 0 CDAERP CC[C@@H](C[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C)OC ZINC001716332916 1180157841 /nfs/dbraw/zinc/15/78/41/1180157841.db2.gz OKTPHPCQEZCWLX-BEWKBBBFSA-N 2 0 297.443 1.158 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C[NH2+]C/C=C/Cl)[NH+](C)C ZINC001716443342 1180212816 /nfs/dbraw/zinc/21/28/16/1180212816.db2.gz QIAGOJYNJMFZQW-FQLSZKSXSA-N 2 0 261.797 1.173 10 0 CDAERP C[C@@H](C[NH2+]CCC1CC1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001716452952 1180217870 /nfs/dbraw/zinc/21/78/70/1180217870.db2.gz SBPNYKMPBNDEKM-STQMWFEESA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001716463667 1180224439 /nfs/dbraw/zinc/22/44/39/1180224439.db2.gz FDRIEMPRRAGCRP-QWHCGFSZSA-N 2 0 255.406 1.079 10 0 CDAERP CCC[NH2+]C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001716617628 1180309137 /nfs/dbraw/zinc/30/91/37/1180309137.db2.gz MZNNNHHWEFBUGV-CQSZACIVSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]CCCF ZINC001716790584 1180416333 /nfs/dbraw/zinc/41/63/33/1180416333.db2.gz HMDFUMVSYQFAHK-ZDUSSCGKSA-N 2 0 273.396 1.267 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC(C[NH2+]CCC2CC2)C1 ZINC001717382734 1180639886 /nfs/dbraw/zinc/63/98/86/1180639886.db2.gz OZFKCPNCGQTERK-YMAMQOFZSA-N 2 0 279.428 1.365 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CCF)C1 ZINC001717386612 1180642966 /nfs/dbraw/zinc/64/29/66/1180642966.db2.gz MMVXVVSFMFPGLW-NRXISQOPSA-N 2 0 299.434 1.561 10 0 CDAERP C[C@@H]1[C@H](C(=O)N(C)CCC[NH2+]CC2CCC2)CC[N@@H+]1C ZINC001723022761 1181510929 /nfs/dbraw/zinc/51/09/29/1181510929.db2.gz LHHLERZEAGPYAS-UKRRQHHQSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)[N@@H+]1CC[C@@](C)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001724182605 1181649966 /nfs/dbraw/zinc/64/99/66/1181649966.db2.gz CPFLSJYOXXIOLO-DZGCQCFKSA-N 2 0 267.417 1.317 10 0 CDAERP CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001724609843 1181703906 /nfs/dbraw/zinc/70/39/06/1181703906.db2.gz SPRMQVDOTVYYDD-UONOGXRCSA-N 2 0 269.433 1.421 10 0 CDAERP CC[NH2+][C@H](C)[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001725128814 1181876268 /nfs/dbraw/zinc/87/62/68/1181876268.db2.gz NATOPWPULVLAAF-OLZOCXBDSA-N 2 0 255.406 1.365 10 0 CDAERP C[NH+](C)C1(C(=O)N2C[C@H]([NH2+]CCCF)C(C)(C)C2)CCC1 ZINC001725662227 1182091370 /nfs/dbraw/zinc/09/13/70/1182091370.db2.gz HSMLDGIMEKUWRX-ZDUSSCGKSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC1=CC[NH+](CC2CCC2)CC1 ZINC001725830527 1182145666 /nfs/dbraw/zinc/14/56/66/1182145666.db2.gz SAWKZAGUIQFPSG-UHFFFAOYSA-N 2 0 293.455 1.875 10 0 CDAERP CC[N@H+](CCCNC(=O)C[C@@H](C)n1ccnc1)C1CC1 ZINC001731340870 1182327700 /nfs/dbraw/zinc/32/77/00/1182327700.db2.gz NKNOYBVQDHJKRT-CYBMUJFWSA-N 2 0 278.400 1.825 10 0 CDAERP CCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001731431738 1182378176 /nfs/dbraw/zinc/37/81/76/1182378176.db2.gz DZJZQLVIIHHNSQ-GJZGRUSLSA-N 2 0 281.444 1.851 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001731478339 1182410705 /nfs/dbraw/zinc/41/07/05/1182410705.db2.gz YZBJIGZJBZKKBZ-QLFBSQMISA-N 2 0 279.428 1.365 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001731491608 1182418078 /nfs/dbraw/zinc/41/80/78/1182418078.db2.gz GFBBNAJWMHYBNJ-OKILXGFUSA-N 2 0 267.417 1.365 10 0 CDAERP CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001731557554 1182449150 /nfs/dbraw/zinc/44/91/50/1182449150.db2.gz GNUXYJJEQJEJOR-KBPBESRZSA-N 2 0 267.417 1.319 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001731773264 1182557565 /nfs/dbraw/zinc/55/75/65/1182557565.db2.gz URRNAQFFNVRLLB-ZDUSSCGKSA-N 2 0 269.433 1.565 10 0 CDAERP CCCCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001731860097 1182633255 /nfs/dbraw/zinc/63/32/55/1182633255.db2.gz IFKQSNONKDQJRE-HUUCEWRRSA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)=CC[NH2+]CCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001731952545 1182697329 /nfs/dbraw/zinc/69/73/29/1182697329.db2.gz QOMZWFVENRVFNT-AWEZNQCLSA-N 2 0 267.417 1.342 10 0 CDAERP CCC[N@H+](CCCNC(=O)C[NH+]1CC[C@H](C)C1)C(C)C ZINC001732012852 1182726283 /nfs/dbraw/zinc/72/62/83/1182726283.db2.gz QTWZQWPMGFLLMX-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)C[N@H+](CCCNC(=O)C[NH+]1CCCC1)C(C)C ZINC001732015020 1182726772 /nfs/dbraw/zinc/72/67/72/1182726772.db2.gz FOIXRUQSSUWULO-UHFFFAOYSA-N 2 0 283.460 1.955 10 0 CDAERP CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C ZINC001732146411 1182803581 /nfs/dbraw/zinc/80/35/81/1182803581.db2.gz YKXCYEIHBOHGSG-HRCADAONSA-N 2 0 293.455 1.946 10 0 CDAERP C[C@H](C[NH2+]C/C=C/Cl)N(C)C(=O)C[NH+]1CCCC1 ZINC001732453907 1182974005 /nfs/dbraw/zinc/97/40/05/1182974005.db2.gz JUSFWUOGPABYSI-BTDICHCPSA-N 2 0 273.808 1.271 10 0 CDAERP C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1[NH2+]CCCF ZINC001732491258 1182988235 /nfs/dbraw/zinc/98/82/35/1182988235.db2.gz ZBOPMFUDNAHEOO-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[N@H+](C)C(C)C ZINC001732626727 1183054581 /nfs/dbraw/zinc/05/45/81/1183054581.db2.gz KLILLGOYMDCVRZ-STQMWFEESA-N 2 0 255.406 1.221 10 0 CDAERP CC(C)[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001732705019 1183093409 /nfs/dbraw/zinc/09/34/09/1183093409.db2.gz AFWAKPVFLWBWOT-QWHCGFSZSA-N 2 0 255.406 1.364 10 0 CDAERP COCC[NH2+]CC[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001732740609 1183105419 /nfs/dbraw/zinc/10/54/19/1183105419.db2.gz KBBXKJGCRHXVJL-CQSZACIVSA-N 2 0 299.459 1.238 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]C/C=C/Cl ZINC001732956210 1183204041 /nfs/dbraw/zinc/20/40/41/1183204041.db2.gz CUJINPPLQNPUHV-MVTQWGDUSA-N 2 0 287.835 1.708 10 0 CDAERP C[C@@H](C[NH2+]C/C=C/Cl)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001732996484 1183229374 /nfs/dbraw/zinc/22/93/74/1183229374.db2.gz YFDNUSNRXHYHQU-QXAKWMLCSA-N 2 0 273.808 1.173 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001733348332 1183405558 /nfs/dbraw/zinc/40/55/58/1183405558.db2.gz GEGQJBBFMDDFTO-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CCC[C@H]1C[NH2+]CCCF ZINC001733351875 1183407256 /nfs/dbraw/zinc/40/72/56/1183407256.db2.gz NKRFSXCNONXAKR-ZDUSSCGKSA-N 2 0 271.380 1.022 10 0 CDAERP CN(CC(C)(C)C[NH2+]CCF)C(=O)C1(C[NH+](C)C)CC1 ZINC001734022974 1183616569 /nfs/dbraw/zinc/61/65/69/1183616569.db2.gz UIBWFVZXGJQZFN-UHFFFAOYSA-N 2 0 287.423 1.372 10 0 CDAERP CC[C@@H](C)C[C@@H]([NH3+])C(=O)N1CCC([NH+](C)C)CC1 ZINC000400769304 1186377776 /nfs/dbraw/zinc/37/77/76/1186377776.db2.gz LBZMQVVVTLKPFX-DGCLKSJQSA-N 2 0 255.406 1.303 10 0 CDAERP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC001771934606 1186966076 /nfs/dbraw/zinc/96/60/76/1186966076.db2.gz XZRDNGRXHRWSPT-RKFYDKJMSA-N 2 0 286.441 1.072 10 0 CDAERP C[C@H]1C[C@H]1NC(=[NH2+])NCC1(C[NH+](C)C)CCCC1 ZINC000864464193 1164548184 /nfs/dbraw/zinc/54/81/84/1164548184.db2.gz SSAKUQPVIJVHSZ-NWDGAFQWSA-N 2 0 252.406 1.631 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CCC[C@H]2CCOC2=O)CN1C1CC1 ZINC000872112509 829263047 /nfs/dbraw/zinc/26/30/47/829263047.db2.gz CMJYFACXTIGJPA-FRRDWIJNSA-N 2 0 266.385 1.545 10 0 CDAERP C(C[NH2+]C1CC1)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000923385623 828839593 /nfs/dbraw/zinc/83/95/93/828839593.db2.gz BLAUQTSOZXWHPH-HNNXBMFYSA-N 3 0 265.445 1.840 10 0 CDAERP CN1C[C@]2(C)C[N@H+](CC3(O)CCCC3)C[C@]2(C)C1 ZINC000705668224 828841710 /nfs/dbraw/zinc/84/17/10/828841710.db2.gz JZBIJDPQSGRHMR-OKILXGFUSA-N 2 0 252.402 1.565 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](CC(=O)N2CCCCC2)C1 ZINC000866703593 828833529 /nfs/dbraw/zinc/83/35/29/828833529.db2.gz MGJOOXVWEZUYRC-INIZCTEOSA-N 2 0 281.444 1.696 10 0 CDAERP CC(C)(CN[C@H]1C[C@H]([NH3+])C12CCC2)C[NH+]1CCCC1 ZINC000925651021 832295460 /nfs/dbraw/zinc/29/54/60/832295460.db2.gz VAIVJGNAQZONKZ-KBPBESRZSA-N 2 0 265.445 1.968 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000870989178 833003875 /nfs/dbraw/zinc/00/38/75/833003875.db2.gz GSMYLEUCOOZDCC-TYNCELHUSA-N 2 0 267.417 1.337 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)[C@@H]([NH3+])C(C)C ZINC000713014839 833035846 /nfs/dbraw/zinc/03/58/46/833035846.db2.gz JKYLLOFRWAXURF-STQMWFEESA-N 2 0 269.433 1.596 10 0 CDAERP CC1(C)CC[C@H](C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)OC1 ZINC000713595590 833085970 /nfs/dbraw/zinc/08/59/70/833085970.db2.gz IEDVVGCXRNMDHA-LSDHHAIUSA-N 2 0 281.444 1.171 10 0 CDAERP CSCC[C@H](C)[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923315091 834054890 /nfs/dbraw/zinc/05/48/90/834054890.db2.gz FAKAGVHRLDPXAC-NWDGAFQWSA-N 2 0 258.431 1.438 10 0 CDAERP CCCC[N@H+](C)CCNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000849005571 833132549 /nfs/dbraw/zinc/13/25/49/833132549.db2.gz KQKHPJFEQGTTCO-LBPRGKRZSA-N 2 0 256.394 1.011 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000870994764 833307499 /nfs/dbraw/zinc/30/74/99/833307499.db2.gz UYSNATMPRPMZMD-IUODEOHRSA-N 2 0 267.417 1.337 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@](C)(O)C(F)(F)F ZINC000925649135 833317230 /nfs/dbraw/zinc/31/72/30/833317230.db2.gz HTAIVUCSNUZZFS-IXMYILBSSA-N 2 0 266.307 1.230 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000872305879 828843944 /nfs/dbraw/zinc/84/39/44/828843944.db2.gz PEPJLKWQRAQBMH-HCZIRCDUSA-N 2 0 277.412 1.247 10 0 CDAERP Cc1cc([C@@H]([NH3+])CC(=O)NC[C@H]2CCC[NH2+]2)cc(Cl)n1 ZINC000841847185 828845420 /nfs/dbraw/zinc/84/54/20/828845420.db2.gz SEGNDPPEAGESLP-NEPJUHHUSA-N 2 0 296.802 1.302 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000851654904 828854258 /nfs/dbraw/zinc/85/42/58/828854258.db2.gz JKZSQRHPEGDGJE-UONOGXRCSA-N 2 0 284.448 1.533 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000868364730 828854939 /nfs/dbraw/zinc/85/49/39/828854939.db2.gz AYVQNNZXELDZOG-MGPQQGTHSA-N 2 0 282.432 1.062 10 0 CDAERP C[C@]1(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CCC(=O)N1 ZINC000925684306 828855551 /nfs/dbraw/zinc/85/55/51/828855551.db2.gz GUGFWTLBGOWIMS-UHIISALHSA-N 2 0 253.390 1.151 10 0 CDAERP CC[N@H+](C)C[C@H]1CCN(C(=O)C=C2CC[NH2+]CC2)C1 ZINC000852870631 833334972 /nfs/dbraw/zinc/33/49/72/833334972.db2.gz WKBZPQORMSVHOX-CQSZACIVSA-N 2 0 265.401 1.096 10 0 CDAERP C[NH+](C)Cc1ccnc(NC(=O)CCC23CC(C2)C[NH2+]3)c1 ZINC000870898928 828943403 /nfs/dbraw/zinc/94/34/03/828943403.db2.gz DSXGDCGUZVDFLW-UHFFFAOYSA-N 2 0 288.395 1.614 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCc1cccc2c1OCCO2 ZINC000925873543 833349605 /nfs/dbraw/zinc/34/96/05/833349605.db2.gz BGERECUYSZVIGG-UONOGXRCSA-N 2 0 276.380 1.717 10 0 CDAERP Nc1ccc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)cn1 ZINC000930804804 829036578 /nfs/dbraw/zinc/03/65/78/829036578.db2.gz BALBHOVGXFHWCW-UHFFFAOYSA-N 2 0 283.379 1.771 10 0 CDAERP C[C@@H](O)c1ncc(C[NH2+]CCC2(C[NH3+])CC2)s1 ZINC000844903730 829040531 /nfs/dbraw/zinc/04/05/31/829040531.db2.gz LRUJJCRQGJZWAY-SECBINFHSA-N 2 0 255.387 1.415 10 0 CDAERP Cc1ccc([C@H](O)C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923493297 833351184 /nfs/dbraw/zinc/35/11/84/833351184.db2.gz RSLOPYHLXZSRSA-FVQBIDKESA-N 2 0 262.397 1.945 10 0 CDAERP C[C@@H]1[NH2+]CCC[C@H]1NC1CC([NH+]2CCCCC2)C1 ZINC000925662655 829063323 /nfs/dbraw/zinc/06/33/23/829063323.db2.gz KSBQGWICPAHHFG-VXGQWTEUSA-N 2 0 251.418 1.733 10 0 CDAERP C[C@@H](CCc1cccnc1)[NH2+]CCOCC[NH+](C)C ZINC000866349090 829087668 /nfs/dbraw/zinc/08/76/68/829087668.db2.gz XOOPEOOHAFDJTP-AWEZNQCLSA-N 2 0 265.401 1.571 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+][C@@H](CO)C[C@H](O)c2ccccc2)C12CCC2 ZINC000925627057 829090976 /nfs/dbraw/zinc/09/09/76/829090976.db2.gz VWCWTWIYOLWJTF-QXSJWSMHSA-N 2 0 290.407 1.331 10 0 CDAERP CC[C@H](C[C@H](C)O)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000866637556 829165913 /nfs/dbraw/zinc/16/59/13/829165913.db2.gz WYCIOUNDJPRTSK-GXTWGEPZSA-N 2 0 254.418 2.000 10 0 CDAERP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158235 833371899 /nfs/dbraw/zinc/37/18/99/833371899.db2.gz UGNWDKRQCBFEKU-OIISXLGYSA-N 3 0 297.487 1.576 10 0 CDAERP [NH3+]CCCCCCn1cc([C@@H]([NH3+])C2CCOCC2)nn1 ZINC000864623143 829224216 /nfs/dbraw/zinc/22/42/16/829224216.db2.gz PMKKSNVHMXIUOR-AWEZNQCLSA-N 2 0 281.404 1.224 10 0 CDAERP CC(C)NC(=O)CN1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866702456 833379389 /nfs/dbraw/zinc/37/93/89/833379389.db2.gz BLZPSOVMNZPBHA-CQSZACIVSA-N 2 0 255.406 1.208 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@]1(O)CCCc2ccccc21 ZINC000817914824 833381369 /nfs/dbraw/zinc/38/13/69/833381369.db2.gz YZBMDZFGFSTZHL-NVXWUHKLSA-N 2 0 292.423 1.554 10 0 CDAERP O[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(F)cn1 ZINC000818963107 833382307 /nfs/dbraw/zinc/38/23/07/833382307.db2.gz GQGOWXBEGWLAKN-GZBFAFLISA-N 2 0 279.359 1.471 10 0 CDAERP C[N@H+](CCN1CC[NH2+]CC1)C[C@@H]1CC(C)(C)OC1(C)C ZINC000709755660 829256064 /nfs/dbraw/zinc/25/60/64/829256064.db2.gz QLUYDANXTCFUOM-AWEZNQCLSA-N 2 0 283.460 1.417 10 0 CDAERP CC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714487504 833383764 /nfs/dbraw/zinc/38/37/64/833383764.db2.gz SKUGLDUCTSMQBR-OLZOCXBDSA-N 2 0 283.460 1.987 10 0 CDAERP C[NH+](C)CC[C@@H](NC(=O)C1([NH+](C)C)CC1)c1cccnc1 ZINC000928830255 829295208 /nfs/dbraw/zinc/29/52/08/829295208.db2.gz ZDKFWVKUILCILS-CQSZACIVSA-N 2 0 290.411 1.285 10 0 CDAERP CCN1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H](C)C1 ZINC000811524490 833389988 /nfs/dbraw/zinc/38/99/88/833389988.db2.gz LAGFBKQRVWOQNZ-CZUORRHYSA-N 2 0 299.434 1.752 10 0 CDAERP CC(C)OCC[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923455779 829341427 /nfs/dbraw/zinc/34/14/27/829341427.db2.gz MPTONMGLYCHSFV-CYBMUJFWSA-N 2 0 256.390 1.241 10 0 CDAERP CO[C@H]1C[C@@H](C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)C1 ZINC000872144876 829358974 /nfs/dbraw/zinc/35/89/74/829358974.db2.gz KVLWODXVZLMYQK-BVUBDWEXSA-N 2 0 282.428 1.630 10 0 CDAERP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C=C2CC[NH2+]CC2)C1 ZINC000852884132 829361261 /nfs/dbraw/zinc/36/12/61/829361261.db2.gz FNBJZAZDUFXGSM-LSDHHAIUSA-N 2 0 277.412 1.239 10 0 CDAERP C[C@@H](CN[C@H]1CC[NH2+]C12CCCC2)[N@H+](C)C1CC1 ZINC000925491997 829374190 /nfs/dbraw/zinc/37/41/90/829374190.db2.gz GQWFQKWZGFIMIG-JSGCOSHPSA-N 2 0 251.418 1.733 10 0 CDAERP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000923313707 829375213 /nfs/dbraw/zinc/37/52/13/829375213.db2.gz WZKIANSRCIRPDL-UNQGMJICSA-N 2 0 280.799 1.980 10 0 CDAERP CCOC(=O)[C@@H]1C[C@H]1C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000929722187 829378557 /nfs/dbraw/zinc/37/85/57/829378557.db2.gz LAZVIYJILPGAKU-SOUVJXGZSA-N 2 0 282.428 1.992 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CCCS1(=O)=O ZINC000714370997 833400808 /nfs/dbraw/zinc/40/08/08/833400808.db2.gz FMLWVEJWPKYGOC-XQQFMLRXSA-N 2 0 274.430 1.061 10 0 CDAERP CC1(C)C[C@@H]([NH2+][C@H]2CCc3c[nH]nc3C2)C[C@@H]([NH3+])C1 ZINC000925616300 829398848 /nfs/dbraw/zinc/39/88/48/829398848.db2.gz QRAMMXXCZAZLLL-AGIUHOORSA-N 2 0 262.401 1.763 10 0 CDAERP CN(CC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)CC(F)(F)F ZINC000925475391 833403531 /nfs/dbraw/zinc/40/35/31/833403531.db2.gz CLPKRLQKNFBTSC-GHMZBOCLSA-N 2 0 281.366 1.976 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)CCCC[NH+]1CCCC1 ZINC000852917633 829416426 /nfs/dbraw/zinc/41/64/26/829416426.db2.gz OYBGEWGGGULXFW-CQSZACIVSA-N 2 0 269.433 1.742 10 0 CDAERP C[N@@H+]1CC[C@@H]2C[NH+](CCC[C@H]3CCOC3)C[C@@H]2C1 ZINC000931442243 829420703 /nfs/dbraw/zinc/42/07/03/829420703.db2.gz ZONLVTXEBKLVQA-ZNMIVQPWSA-N 2 0 252.402 1.687 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CC2(S(C)(=O)=O)CCC2)C1 ZINC000925661312 829492078 /nfs/dbraw/zinc/49/20/78/829492078.db2.gz DALCVAIKLIVYFP-NWDGAFQWSA-N 2 0 288.457 1.449 10 0 CDAERP Cc1nnc(CC[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)o1 ZINC000930320505 829541789 /nfs/dbraw/zinc/54/17/89/829541789.db2.gz XYLYNPQPBPYWTI-CQSZACIVSA-N 2 0 294.399 1.107 10 0 CDAERP CCCCOC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923495599 833427162 /nfs/dbraw/zinc/42/71/62/833427162.db2.gz CVFVPBOPHLABSA-AGIUHOORSA-N 2 0 256.390 1.635 10 0 CDAERP CC[C@H]1CCN(C(=[NH2+])NC[C@H]2CCC[N@H+](C)C2)C1 ZINC000864457237 829748874 /nfs/dbraw/zinc/74/88/74/829748874.db2.gz BUGSWKJIXPWVAN-QWHCGFSZSA-N 2 0 252.406 1.584 10 0 CDAERP C[N@H+](CCN1CC[NH2+]CC1)C[C@H]1CCC(C)(C)CO1 ZINC000713584313 829781788 /nfs/dbraw/zinc/78/17/88/829781788.db2.gz DJXVLJJWTUXWDB-CQSZACIVSA-N 2 0 269.433 1.029 10 0 CDAERP CSC1(C[NH2+][C@H](C)c2ccnnc2)CC[NH+](C)CC1 ZINC000926449559 829808068 /nfs/dbraw/zinc/80/80/68/829808068.db2.gz VITZMBKBIWLZGX-GFCCVEGCSA-N 2 0 280.441 1.955 10 0 CDAERP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@@H](COC)C(C)C)CC1 ZINC000930663261 829810245 /nfs/dbraw/zinc/81/02/45/829810245.db2.gz HVYSMKHZCYMAQU-INIZCTEOSA-N 2 0 299.503 1.911 10 0 CDAERP CCOC(=O)c1ncc(C[N@@H+]2CC[C@H](CC[NH3+])C2)s1 ZINC000923480149 829823793 /nfs/dbraw/zinc/82/37/93/829823793.db2.gz VXBCUTPYBDIIBF-JTQLQIEISA-N 2 0 283.397 1.491 10 0 CDAERP COCCCN(C)CC[NH2+][C@H]1CCOC[C@H]1C(C)C ZINC000925145839 829835919 /nfs/dbraw/zinc/83/59/19/829835919.db2.gz VIHUIFWNCNKTHM-GJZGRUSLSA-N 2 0 272.433 1.605 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCc3ccns3)C[C@H]21 ZINC000719850766 829849838 /nfs/dbraw/zinc/84/98/38/829849838.db2.gz CZWDWVYXUZZUIU-CYZMBNFOSA-N 2 0 251.399 1.745 10 0 CDAERP C[C@H]1C[C@H](C[NH+]2CCC(O)(C[NH+](C)C)CC2)CCO1 ZINC000931482608 829853884 /nfs/dbraw/zinc/85/38/84/829853884.db2.gz ZHXJLCJSBGJYAE-UONOGXRCSA-N 2 0 270.417 1.190 10 0 CDAERP c1cc(CC[NH+]2CCC(C[NH+]3CCOCC3)CC2)sn1 ZINC000929284534 829883862 /nfs/dbraw/zinc/88/38/62/829883862.db2.gz UJKUISKXUMMMRY-UHFFFAOYSA-N 2 0 295.452 1.730 10 0 CDAERP C[C@@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000923480100 830046119 /nfs/dbraw/zinc/04/61/19/830046119.db2.gz VIYBBPQKRGMJEA-QLFBSQMISA-N 2 0 289.423 1.923 10 0 CDAERP Cc1nccnc1C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923447637 830093783 /nfs/dbraw/zinc/09/37/83/830093783.db2.gz VHTWNBILBRTCHA-CYBMUJFWSA-N 2 0 276.384 1.115 10 0 CDAERP CCn1ncc(C[NH2+]C2CCC(C)([NH+](C)C)CC2)n1 ZINC000865765459 830112153 /nfs/dbraw/zinc/11/21/53/830112153.db2.gz WAXVZQUFDUUAPI-UHFFFAOYSA-N 2 0 265.405 1.651 10 0 CDAERP CCC[C@](C)(O)C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925611404 830207905 /nfs/dbraw/zinc/20/79/05/830207905.db2.gz MPPJTKZVJHPUTF-OSFYFWSMSA-N 2 0 254.418 1.904 10 0 CDAERP CC[N@H+]1[C@H](C)CN(C(=O)[C@@H](C)N2CCSCC2)C[C@@H]1C ZINC000880610416 830263480 /nfs/dbraw/zinc/26/34/80/830263480.db2.gz PIQWLTULZSQFOT-HZSPNIEDSA-N 2 0 299.484 1.365 10 0 CDAERP C[C@H]1C[N@H+](CCCNC(=[NH2+])NC2CCCCC2)CCCO1 ZINC000849022804 830264057 /nfs/dbraw/zinc/26/40/57/830264057.db2.gz YWLYPQKTFQLISA-AWEZNQCLSA-N 2 0 296.459 1.934 10 0 CDAERP C[N@@H+]1C[C@@H]2C[NH+](CCCC3CC[NH2+]CC3)C[C@]2(C)C1 ZINC000702370005 830273373 /nfs/dbraw/zinc/27/33/73/830273373.db2.gz WBMTZKYVHILWPO-CVEARBPZSA-N 3 0 265.445 1.650 10 0 CDAERP CC(C)(C[NH3+])C1CC[NH+](CCc2cn[nH]c2)CC1 ZINC000714453813 830293289 /nfs/dbraw/zinc/29/32/89/830293289.db2.gz BGWQGBQRJGJCGL-UHFFFAOYSA-N 2 0 250.390 1.649 10 0 CDAERP C[C@@H](CS(C)(=O)=O)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000715529536 830334235 /nfs/dbraw/zinc/33/42/35/830334235.db2.gz VPRDFFZATVDHGT-HIFPTAJRSA-N 2 0 276.446 1.272 10 0 CDAERP [NH3+]C1CCC(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000227237571 830354804 /nfs/dbraw/zinc/35/48/04/830354804.db2.gz DPOWHIAPEDJYTI-IIZVFWCOSA-N 2 0 279.428 1.683 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCO1 ZINC000925627842 830361775 /nfs/dbraw/zinc/36/17/75/830361775.db2.gz AEKYCPVXEMFXRK-BJJPWKGXSA-N 2 0 252.402 1.920 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)[C@@]2(F)CC[NH2+]C2)cc1 ZINC000841848249 830466970 /nfs/dbraw/zinc/46/69/70/830466970.db2.gz FPOFCLXBPROJKF-IINYFYTJSA-N 2 0 265.332 1.024 10 0 CDAERP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925644287 830487037 /nfs/dbraw/zinc/48/70/37/830487037.db2.gz JJHRYQKMPWWJAE-OWCLPIDISA-N 2 0 274.408 1.758 10 0 CDAERP C[NH+](C)CC[C@@H](N[C@@H]1CC[NH2+]C1(C)C)c1cccnc1 ZINC000925828489 830545505 /nfs/dbraw/zinc/54/55/05/830545505.db2.gz XXGHUPZCYORSIH-HUUCEWRRSA-N 2 0 276.428 1.805 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCNC(=O)OC(C)(C)C ZINC000924945187 830613042 /nfs/dbraw/zinc/61/30/42/830613042.db2.gz CMJCJYKEDVCCDS-PBWFPOADSA-N 2 0 297.443 1.831 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)NCc2cccs2)C[C@H]1CC[NH3+] ZINC000723899327 830621652 /nfs/dbraw/zinc/62/16/52/830621652.db2.gz AUPANTDIJRIIEX-VXGBXAGGSA-N 2 0 281.425 1.281 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@@H](C2CC2)C2CCC2)CC1 ZINC000925815894 830675655 /nfs/dbraw/zinc/67/56/55/830675655.db2.gz BQELYDGJWWRGFU-OAHLLOKOSA-N 2 0 251.418 1.578 10 0 CDAERP C[C@H](CNC(=[NH2+])N[C@H]1C[C@H]1C)C[NH+]1CCCCC1 ZINC000864455105 833686167 /nfs/dbraw/zinc/68/61/67/833686167.db2.gz GQIDAMNNHAQZRQ-UPJWGTAASA-N 2 0 252.406 1.631 10 0 CDAERP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H](O)C2(O)CCCC2)C1 ZINC000929751190 833462101 /nfs/dbraw/zinc/46/21/01/833462101.db2.gz YBQGIVCCXFBIRC-CABCVRRESA-N 2 0 284.444 1.316 10 0 CDAERP CC[C@@H](C[C@](C)(O)CC)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000924633682 832265218 /nfs/dbraw/zinc/26/52/18/832265218.db2.gz SEKWOSGKSHLDFF-DOTOQJQBSA-N 2 0 299.503 1.932 10 0 CDAERP CCCCNC(=O)[C@H](C)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923453528 832287463 /nfs/dbraw/zinc/28/74/63/832287463.db2.gz NIGWPALZYMQJSU-UONOGXRCSA-N 2 0 297.443 1.121 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@H]2CCCCC23CC[NH2+]CC3)C1 ZINC000872314290 832300676 /nfs/dbraw/zinc/30/06/76/832300676.db2.gz XTYDDCBBWQCDFO-QDEZUTFSSA-N 2 0 291.439 1.542 10 0 CDAERP C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923502919 833829197 /nfs/dbraw/zinc/82/91/97/833829197.db2.gz DSUXUXFESCHOKO-XFIYOXNOSA-N 2 0 295.471 1.796 10 0 CDAERP CCNC(=O)N1CC[C@H]([NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925588631 832356974 /nfs/dbraw/zinc/35/69/74/832356974.db2.gz RNXUTFIQFIWRDC-AGIUHOORSA-N 2 0 282.432 1.286 10 0 CDAERP CN(CC1C[NH+](C)C1)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000851997889 832365552 /nfs/dbraw/zinc/36/55/52/832365552.db2.gz ODZLDIZUZYFDRU-UHFFFAOYSA-N 2 0 296.459 1.452 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CCCc2cn[nH]c21)N1CC[NH+](C)CC1 ZINC000857854310 832396389 /nfs/dbraw/zinc/39/63/89/832396389.db2.gz ZJRYVCQSKSCJJL-TZMCWYRMSA-N 2 0 277.416 1.013 10 0 CDAERP [NH3+][C@H]1C[C@@H]([NH2+][C@@H]2CCCC(F)(F)[C@H]2O)C12CCC2 ZINC000925688476 833843054 /nfs/dbraw/zinc/84/30/54/833843054.db2.gz FQBBKCKFHMUZLH-YTWAJWBKSA-N 2 0 260.328 1.395 10 0 CDAERP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000715519617 833849866 /nfs/dbraw/zinc/84/98/66/833849866.db2.gz UZSDKNJNGKGLKO-FGZQJIAISA-N 3 0 253.434 1.966 10 0 CDAERP C[NH+](C)CC1(O)CC[NH+](CCC[C@H]2CCOC2)CC1 ZINC000710569909 833854344 /nfs/dbraw/zinc/85/43/44/833854344.db2.gz CZPHGXSJEALCAJ-AWEZNQCLSA-N 2 0 270.417 1.192 10 0 CDAERP COC[C@@H](C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1)C(C)C ZINC000930904421 832577224 /nfs/dbraw/zinc/57/72/24/832577224.db2.gz STUSJHHGWAQKOH-HUUCEWRRSA-N 2 0 272.433 1.294 10 0 CDAERP CC[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1cnn(C)c1 ZINC000925846898 833888050 /nfs/dbraw/zinc/88/80/50/833888050.db2.gz VFABGTYTJCNGAG-MRXNPFEDSA-N 2 0 293.459 1.536 10 0 CDAERP COC(=O)c1cc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)ccc1C ZINC000872144199 832635557 /nfs/dbraw/zinc/63/55/57/832635557.db2.gz XOAPSAMILVCVAZ-GXTWGEPZSA-N 2 0 276.380 1.951 10 0 CDAERP CC[NH2+]CCCN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925696149 833929004 /nfs/dbraw/zinc/92/90/04/833929004.db2.gz ZWVCAXFQWJNQOL-HUUCEWRRSA-N 2 0 253.434 1.744 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H]([NH2+]CC(C)(C)N2CCOCC2)C1 ZINC000715270948 832743604 /nfs/dbraw/zinc/74/36/04/832743604.db2.gz OMWPHDZOIOLJFD-GJZGRUSLSA-N 2 0 283.460 1.560 10 0 CDAERP C[N@H+](CCCCCC[NH3+])CC(=O)NCc1ccccc1 ZINC000710840948 832799151 /nfs/dbraw/zinc/79/91/51/832799151.db2.gz COZLJWRDVSPMPT-UHFFFAOYSA-N 2 0 277.412 1.754 10 0 CDAERP C[C@H]1[C@@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)CC[N@@H+]1C ZINC000922177798 832837830 /nfs/dbraw/zinc/83/78/30/832837830.db2.gz JYXWYQKOOSNWFT-KBPBESRZSA-N 2 0 296.459 1.500 10 0 CDAERP Cn1nccc1[C@H](O)C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925891813 832842663 /nfs/dbraw/zinc/84/26/63/832842663.db2.gz XPXARKDEPMPBCM-IIAWOOMASA-N 2 0 292.427 1.211 10 0 CDAERP C[N@@H+]1CCCC[C@@H](CN[C@@H]2C[NH+]3C[C@@H]2CCC3)C1 ZINC000926755791 832849692 /nfs/dbraw/zinc/84/96/92/832849692.db2.gz ZZBVHBGSPYCJDN-SOUVJXGZSA-N 2 0 251.418 1.402 10 0 CDAERP CCC/C=C\C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870017347 832870284 /nfs/dbraw/zinc/87/02/84/832870284.db2.gz LCVLUPFJCJEZBR-SFRZCGLPSA-N 2 0 281.444 1.541 10 0 CDAERP O[C@H](C[NH2+]CC[C@H]1CCC2(CCC2)O1)C[NH+]1CCCC1 ZINC000717115408 832887211 /nfs/dbraw/zinc/88/72/11/832887211.db2.gz CENVSCTXMBFEPI-HUUCEWRRSA-N 2 0 282.428 1.525 10 0 CDAERP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@H](O)CC(C)(C)O)C1 ZINC000872201314 832889690 /nfs/dbraw/zinc/88/96/90/832889690.db2.gz VZVUEJAIKPGETJ-HUUCEWRRSA-N 2 0 286.460 1.610 10 0 CDAERP CC[NH+](CC)CCCNC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000868013853 833830706 /nfs/dbraw/zinc/83/07/06/833830706.db2.gz QZGICCQBUAFRSF-CABCVRRESA-N 2 0 296.459 1.454 10 0 CDAERP CCn1nnc(C)c1C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923489838 833839359 /nfs/dbraw/zinc/83/93/59/833839359.db2.gz MBAKULPAEDIEKQ-PWSUYJOCSA-N 2 0 251.378 1.023 10 0 CDAERP C[C@H](NC(=[NH2+])NCCC[NH+]1CCCCC1)C1CC1 ZINC000080879114 833988055 /nfs/dbraw/zinc/98/80/55/833988055.db2.gz MSVXDKCGCBRLED-LBPRGKRZSA-N 2 0 252.406 1.565 10 0 CDAERP CC1(C)C[C@@H]([NH2+]CCO[C@@H]2CC2(F)F)C[C@@H]([NH3+])C1 ZINC000925707967 834018067 /nfs/dbraw/zinc/01/80/67/834018067.db2.gz AOWQHMCXCDMDAK-OUAUKWLOSA-N 2 0 262.344 1.906 10 0 CDAERP [NH3+]CC(C[NH3+])NCc1cc(Cl)cc2ccccc21 ZINC000923357326 834027333 /nfs/dbraw/zinc/02/73/33/834027333.db2.gz XJJCSPOSCCASQC-UHFFFAOYSA-N 2 0 263.772 1.869 10 0 CDAERP c1[nH+]cn2ccc(-c3noc(C[C@@H]4CC[NH2+]C4)n3)cc12 ZINC000823168220 834033301 /nfs/dbraw/zinc/03/33/01/834033301.db2.gz SBZGFJZBAJOWQB-JTQLQIEISA-N 2 0 269.308 1.536 10 0 CDAERP O[C@@H](C[NH2+]CC1C[C@H]2CC[C@@H](C1)S2)C[NH+]1CCCC1 ZINC000716064762 834034817 /nfs/dbraw/zinc/03/48/17/834034817.db2.gz JXDSYJCOVDEVQU-WIGRTHMWSA-N 2 0 284.469 1.707 10 0 CDAERP C[C@H](NC(=[NH2+])NCC(C)(C)[NH+]1CCCCC1)C1CC1 ZINC000080851948 834071186 /nfs/dbraw/zinc/07/11/86/834071186.db2.gz KXGXOJFESWJBOW-LBPRGKRZSA-N 2 0 266.433 1.954 10 0 CDAERP CC1(C)C[NH2+]CC[C@H](NC(=O)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000872275845 834116419 /nfs/dbraw/zinc/11/64/19/834116419.db2.gz GTHQGRVJVZSAEA-AVGNSLFASA-N 2 0 267.417 1.398 10 0 CDAERP C[C@@H]1C[N@H+](C[C@H]2CC3(CCC3)CO2)CC[C@@H]1C[NH3+] ZINC000923490668 834284618 /nfs/dbraw/zinc/28/46/18/834284618.db2.gz OQDOPDRJLKHTMO-MGPQQGTHSA-N 2 0 252.402 1.862 10 0 CDAERP CCNC(=O)C1(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCC1 ZINC000925650327 834307742 /nfs/dbraw/zinc/30/77/42/834307742.db2.gz NYNHOLLOLIOYOX-HZSPNIEDSA-N 2 0 293.455 1.659 10 0 CDAERP C[C@@H]([NH3+])CN(C)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000861565648 834360124 /nfs/dbraw/zinc/36/01/24/834360124.db2.gz YSIYDESXXJHFCK-UKRRQHHQSA-N 2 0 292.427 1.148 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000925566616 834526648 /nfs/dbraw/zinc/52/66/48/834526648.db2.gz DNBPWKRNJCEAPT-IUOOZAAYSA-N 2 0 294.439 1.644 10 0 CDAERP [NH3+]C[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1C(F)(F)F ZINC000720809243 834535111 /nfs/dbraw/zinc/53/51/11/834535111.db2.gz FWMXCUNEFCTPNJ-BBBLOLIVSA-N 2 0 252.280 1.092 10 0 CDAERP C[C@@H](C1CC1)N(C(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1)C1CC1 ZINC000923499945 834573473 /nfs/dbraw/zinc/57/34/73/834573473.db2.gz OSPQSQWVNAOIRX-VNHYZAJKSA-N 2 0 293.455 1.693 10 0 CDAERP C[C@@H]1CN(C(=[NH2+])NCC[N@H+](C)C2CCCC2)CCO1 ZINC000849006310 834625560 /nfs/dbraw/zinc/62/55/60/834625560.db2.gz VIPYQUMVDXZEAQ-GFCCVEGCSA-N 2 0 268.405 1.106 10 0 CDAERP C[N@H+](CCN1CC[NH2+]CC1)C[C@H]1CCC2(CCC2)CO1 ZINC000716318534 834649541 /nfs/dbraw/zinc/64/95/41/834649541.db2.gz SMGLDJMGKTZUPP-OAHLLOKOSA-N 2 0 281.444 1.173 10 0 CDAERP Cc1cccc(OC[C@@H](O)C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000923432250 834684537 /nfs/dbraw/zinc/68/45/37/834684537.db2.gz ZEBWTLVGAAXVRS-OAGGEKHMSA-N 2 0 292.423 1.651 10 0 CDAERP CCCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723900182 834702299 /nfs/dbraw/zinc/70/22/99/834702299.db2.gz JDUSGWSRNPAQPI-HZSPNIEDSA-N 2 0 269.433 1.598 10 0 CDAERP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cc(O)cc(F)c1 ZINC000924577520 834728678 /nfs/dbraw/zinc/72/86/78/834728678.db2.gz GEXXCZZAJNHHRU-CYBMUJFWSA-N 2 0 295.402 1.819 10 0 CDAERP CO[C@H](C[N@@H+]1CCC2(C1)CC[NH2+]CC2)C1CCC1 ZINC000852746023 834764602 /nfs/dbraw/zinc/76/46/02/834764602.db2.gz COQAHUZPLYTMHM-CQSZACIVSA-N 2 0 252.402 1.877 10 0 CDAERP C[C@@H](CC[NH2+]C[C@H](O)CC(C)(C)O)[NH+]1CCCCC1 ZINC000872206116 834805334 /nfs/dbraw/zinc/80/53/34/834805334.db2.gz OKXPWJNYIFZQNN-UONOGXRCSA-N 2 0 272.433 1.362 10 0 CDAERP Cc1nn(C)cc1C[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714456081 834824481 /nfs/dbraw/zinc/82/44/81/834824481.db2.gz FZBYVAHJJXDOTC-UHFFFAOYSA-N 2 0 264.417 1.925 10 0 CDAERP C[NH+]1CCC2(CC1)CC[NH+](CCO[C@@H]1CCOC1)CC2 ZINC000931465974 834862386 /nfs/dbraw/zinc/86/23/86/834862386.db2.gz BFVHOUROJMKTJR-OAHLLOKOSA-N 2 0 282.428 1.600 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=[NH2+])N[C@@H]2C[C@H]2C)C1 ZINC000864455662 834893676 /nfs/dbraw/zinc/89/36/76/834893676.db2.gz ACBPNRCPXKEMHN-FRRDWIJNSA-N 2 0 252.406 1.629 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCCC2(C[NH3+])CC2)C1 ZINC000846150374 835025844 /nfs/dbraw/zinc/02/58/44/835025844.db2.gz ZWUBPTFMOGUXQY-STQMWFEESA-N 2 0 282.432 1.287 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000925827609 835046931 /nfs/dbraw/zinc/04/69/31/835046931.db2.gz QTKJFBFQALZLDF-KCQAQPDRSA-N 2 0 264.417 1.790 10 0 CDAERP [NH3+]CC1CCC([NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000848721660 835058457 /nfs/dbraw/zinc/05/84/57/835058457.db2.gz MQZMMALKIAKDKB-GCZXYKMCSA-N 2 0 267.373 1.077 10 0 CDAERP C[C@H]1C[N@H+](CCC[NH2+]CC2(O)CCCCC2)CCCO1 ZINC000819265152 835175972 /nfs/dbraw/zinc/17/59/72/835175972.db2.gz LKZZLNABCHHPSQ-HNNXBMFYSA-N 2 0 284.444 1.772 10 0 CDAERP COc1ccccc1[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000817892057 835219527 /nfs/dbraw/zinc/21/95/27/835219527.db2.gz JMOBHFKIARFDDF-NWANDNLSSA-N 2 0 278.396 1.836 10 0 CDAERP C(c1nc2c(s1)C[NH2+]CC2)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000853245660 835250757 /nfs/dbraw/zinc/25/07/57/835250757.db2.gz AXBZFRDKOQLKQL-OAHLLOKOSA-N 2 0 292.452 1.364 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NCC(C)(C)C[NH+](C)C ZINC000712992107 835320653 /nfs/dbraw/zinc/32/06/53/835320653.db2.gz XCHIHFDZJYQHHA-LBPRGKRZSA-N 2 0 271.449 1.700 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](C[C@@H](O)C2(O)CCCC2)CC1 ZINC000929276138 835329700 /nfs/dbraw/zinc/32/97/00/835329700.db2.gz OXRPLSHRUJOGAS-MRXNPFEDSA-N 2 0 298.471 1.706 10 0 CDAERP CC(C)CC[C@H](O)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000923411336 835366229 /nfs/dbraw/zinc/36/62/29/835366229.db2.gz RGHDQMBAKKJDDU-IRXDYDNUSA-N 2 0 298.471 1.874 10 0 CDAERP CN(CCC[NH+](C)C)CCNC(=O)c1ccc(CF)cc1 ZINC000855416799 835423908 /nfs/dbraw/zinc/42/39/08/835423908.db2.gz BCBKLWCDNCWTFR-UHFFFAOYSA-N 2 0 295.402 1.769 10 0 CDAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925642122 835428557 /nfs/dbraw/zinc/42/85/57/835428557.db2.gz QEEOHCZVOFURLN-OWCLPIDISA-N 3 0 296.503 1.508 10 0 CDAERP C[NH+](C)[C@@H]1C[C@H](CNC(=S)NCC2CC[NH+](C)CC2)C1 ZINC000848646910 835444388 /nfs/dbraw/zinc/44/43/88/835444388.db2.gz ALUTWWUZSZPHCS-OKILXGFUSA-N 2 0 298.500 1.133 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccns2)CC1 ZINC000924657086 835450560 /nfs/dbraw/zinc/45/05/60/835450560.db2.gz FMYRGBSAKUREEK-CYBMUJFWSA-N 2 0 282.457 1.821 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000846206804 835464620 /nfs/dbraw/zinc/46/46/20/835464620.db2.gz TZTMWJUDQMQNDP-CYBMUJFWSA-N 2 0 290.411 1.286 10 0 CDAERP CCCCOC[C@@H](O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000227883068 835524130 /nfs/dbraw/zinc/52/41/30/835524130.db2.gz GIIIPOWFPNDCJS-OCCSQVGLSA-N 2 0 258.406 1.223 10 0 CDAERP Cc1ccc2ncc(CN3CC[NH2+]CC[NH2+]CC3)cc2c1 ZINC000923460373 835540297 /nfs/dbraw/zinc/54/02/97/835540297.db2.gz MUFIZINGGCOUEO-UHFFFAOYSA-N 2 0 284.407 1.538 10 0 CDAERP CC(C)[NH+]1CCC(N2CC[NH+](C[C@@H](O)C3CC3)CC2)CC1 ZINC000782181651 835553780 /nfs/dbraw/zinc/55/37/80/835553780.db2.gz FNQOOVZJDBBUCZ-QGZVFWFLSA-N 2 0 295.471 1.248 10 0 CDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C/C=C\Cl)CC1 ZINC000255057134 835610369 /nfs/dbraw/zinc/61/03/69/835610369.db2.gz USJDDYNVXUAXFW-RYBZSIHZSA-N 2 0 260.809 1.764 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000924994883 835722413 /nfs/dbraw/zinc/72/24/13/835722413.db2.gz WWPLABDJQSSEKT-WXLSXGNJSA-N 2 0 281.444 1.170 10 0 CDAERP CCC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001565939130 1168204263 /nfs/dbraw/zinc/20/42/63/1168204263.db2.gz OLPYQWPUOCQWKX-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP CCC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001565939132 1168203886 /nfs/dbraw/zinc/20/38/86/1168203886.db2.gz OLPYQWPUOCQWKX-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1C[C@H]([NH2+]CC=C(C)C)C1 ZINC001566792600 1168424369 /nfs/dbraw/zinc/42/43/69/1168424369.db2.gz QZJLGUAEOYTDAP-KKUMJFAQSA-N 2 0 299.434 1.869 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001266288177 894157218 /nfs/dbraw/zinc/15/72/18/894157218.db2.gz BNTDRTLZDMGQFR-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP CC[C@@H](F)C[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001567549926 1168845859 /nfs/dbraw/zinc/84/58/59/1168845859.db2.gz VVIHNIJXTXCHOU-MELADBBJSA-N 2 0 287.423 1.513 10 0 CDAERP C[C@@H]([NH2+]CCCF)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001267222133 897198946 /nfs/dbraw/zinc/19/89/46/897198946.db2.gz GWTAFKJHCQUKNF-CQSZACIVSA-N 2 0 299.434 1.659 10 0 CDAERP CN(CC[NH2+]CCF)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001567573399 1168865746 /nfs/dbraw/zinc/86/57/46/1168865746.db2.gz CVYMVUWGHSQYDE-QWHCGFSZSA-N 2 0 271.380 1.021 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@@H]2CCC23CCCC3)CC1 ZINC000693854215 897591287 /nfs/dbraw/zinc/59/12/87/897591287.db2.gz NPFAZRKXIDLJLI-CQSZACIVSA-N 2 0 251.418 1.722 10 0 CDAERP CCCC[NH2+]C1CC(N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001279241701 899103577 /nfs/dbraw/zinc/10/35/77/899103577.db2.gz HSUZBWOFSDOTIM-UHFFFAOYSA-N 2 0 281.444 1.850 10 0 CDAERP CCCCCCN1CC(NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001267649996 899165650 /nfs/dbraw/zinc/16/56/50/899165650.db2.gz FULGUUABIFLNOK-OAHLLOKOSA-N 2 0 281.444 1.851 10 0 CDAERP CCOCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)[NH+](C)C ZINC001267712326 899340981 /nfs/dbraw/zinc/34/09/81/899340981.db2.gz OSTMRQCFPBVKLO-KKUMJFAQSA-N 2 0 297.443 1.038 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267725692 899399502 /nfs/dbraw/zinc/39/95/02/899399502.db2.gz XZEXKUHHYQZISJ-PRQMKSPXSA-N 2 0 281.444 1.873 10 0 CDAERP CCCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001267809369 899784703 /nfs/dbraw/zinc/78/47/03/899784703.db2.gz KJVGXOSQFLDBJY-KBPBESRZSA-N 2 0 269.433 1.755 10 0 CDAERP CCCC[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001267847484 899864554 /nfs/dbraw/zinc/86/45/54/899864554.db2.gz XZZDHUDVSQFPOL-AWEZNQCLSA-N 2 0 281.444 1.757 10 0 CDAERP CC(C)CC[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001268257054 901684895 /nfs/dbraw/zinc/68/48/95/901684895.db2.gz MYHSWWJFJKMDNR-CQSZACIVSA-N 2 0 269.433 1.374 10 0 CDAERP CC(C)CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CC[NH+](C)C ZINC001268286433 901748054 /nfs/dbraw/zinc/74/80/54/901748054.db2.gz KVABZPPXQKASLL-GJZGRUSLSA-N 2 0 283.460 1.859 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001481696114 901820711 /nfs/dbraw/zinc/82/07/11/901820711.db2.gz BEQBZEYVBGJTPI-YJQVQVLHSA-N 2 0 279.428 1.485 10 0 CDAERP CC(C)CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268348335 901912704 /nfs/dbraw/zinc/91/27/04/901912704.db2.gz GMWGLYLSUMAXHR-UONOGXRCSA-N 2 0 269.433 1.611 10 0 CDAERP CO[C@@H](C)C[NH2+]CC[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001268378891 901961446 /nfs/dbraw/zinc/96/14/46/901961446.db2.gz CALMIBZBRDWTMY-KGLIPLIRSA-N 2 0 297.443 1.134 10 0 CDAERP CC(C)OCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001482114020 902654869 /nfs/dbraw/zinc/65/48/69/902654869.db2.gz WWVHVZNMZLKKOH-CABCVRRESA-N 2 0 299.459 1.238 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NC/C=C/C[NH2+]Cc2ccccc2)C1 ZINC001268625369 902837625 /nfs/dbraw/zinc/83/76/25/902837625.db2.gz GYDCAJUVLAKTDM-SQRWCISFSA-N 2 0 287.407 1.400 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@@](C)(C[NH2+]CCF)C2CC2)CC1 ZINC001269631739 903998488 /nfs/dbraw/zinc/99/84/88/903998488.db2.gz ZFMZQNQFHLYCFP-AWEZNQCLSA-N 2 0 285.407 1.172 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN1C(=O)CC[N@H+](C)CC ZINC001270165103 904411007 /nfs/dbraw/zinc/41/10/07/904411007.db2.gz IHBUOTKLNQSPKE-CYBMUJFWSA-N 2 0 255.406 1.319 10 0 CDAERP CCOCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001270249505 904476207 /nfs/dbraw/zinc/47/62/07/904476207.db2.gz HKGWKGQTASYCAQ-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001270841851 905130096 /nfs/dbraw/zinc/13/00/96/905130096.db2.gz VGIBFOJRAVMLNJ-WBVHZDCISA-N 2 0 293.455 1.733 10 0 CDAERP COCC[NH2+]C[C@H](CC(C)C)NC(=O)C1CC[NH+](C)CC1 ZINC001271293410 906231934 /nfs/dbraw/zinc/23/19/34/906231934.db2.gz IXNMOGKBRNXSAH-HNNXBMFYSA-N 2 0 299.459 1.095 10 0 CDAERP C[C@H]([NH2+]CCCF)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001271654107 906573088 /nfs/dbraw/zinc/57/30/88/906573088.db2.gz BHUTVZGHWAPIOT-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP Cc1ccccc1C[NH2+]CC[C@H](C)NC(=O)CC[NH+](C)C ZINC001482867591 908447816 /nfs/dbraw/zinc/44/78/16/908447816.db2.gz JOVJXUXJGLIVDB-HNNXBMFYSA-N 2 0 291.439 1.931 10 0 CDAERP CC[C@@H](F)C[NH2+]CCN(CC)C(=O)C12CCC[NH+]1CCC2 ZINC001482934084 908501668 /nfs/dbraw/zinc/50/16/68/908501668.db2.gz JMIZDQKZVRYHNY-CQSZACIVSA-N 2 0 299.434 1.801 10 0 CDAERP CCN(CC[NH2+]CC1CC1)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001482963742 908545672 /nfs/dbraw/zinc/54/56/72/908545672.db2.gz XAEHUZOLEYTXER-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C1(F)CC1 ZINC000843797479 908896778 /nfs/dbraw/zinc/89/67/78/908896778.db2.gz WUETZRSSXIYJTG-UHFFFAOYSA-N 2 0 273.396 1.221 10 0 CDAERP CC(C)=CC[NH2+]C/C=C/CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001483082332 909300786 /nfs/dbraw/zinc/30/07/86/909300786.db2.gz ONYYDIXAYYFRFP-MBVDDHJVSA-N 2 0 279.428 1.556 10 0 CDAERP CC/C=C\CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001483192831 909948960 /nfs/dbraw/zinc/94/89/60/909948960.db2.gz HDPQRSXAMLVRDS-HLMASZERSA-N 2 0 267.417 1.389 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CCC(F)(F)F ZINC001409428477 910399620 /nfs/dbraw/zinc/39/96/20/910399620.db2.gz HUAFBKZEGBYHOR-WDEREUQCSA-N 2 0 297.365 1.763 10 0 CDAERP CC[C@H](F)C[N@H+](C)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001409685132 910626463 /nfs/dbraw/zinc/62/64/63/910626463.db2.gz LBGYGFMDTAPSSD-OLZOCXBDSA-N 2 0 275.412 1.511 10 0 CDAERP CCCC[N@@H+]1CC[C@](C)(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001484067548 915372610 /nfs/dbraw/zinc/37/26/10/915372610.db2.gz KGMHAUWOIUMFDH-ZBFHGGJFSA-N 2 0 281.444 1.709 10 0 CDAERP O=C(NCC1([NH2+]CCF)CCC1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001484654698 916000032 /nfs/dbraw/zinc/00/00/32/916000032.db2.gz VATAKFNRTDUMSH-ZIAGYGMSSA-N 2 0 297.418 1.601 10 0 CDAERP CCCC[NH2+]CC1(O)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001484955603 916311978 /nfs/dbraw/zinc/31/19/78/916311978.db2.gz JDBLTNUBQOGJOM-CQSZACIVSA-N 2 0 299.459 1.070 10 0 CDAERP C[C@@H](CCNC(=O)Cc1c[nH]cn1)[NH2+]CCC(C)(C)C ZINC001484999385 916363040 /nfs/dbraw/zinc/36/30/40/916363040.db2.gz FCYWWEBOIPXZRA-LBPRGKRZSA-N 2 0 280.416 1.873 10 0 CDAERP CC[C@H](C(=O)NCC[C@H](C)[NH2+]C[C@@H]1CCCCO1)[NH+](C)C ZINC001484994513 916380742 /nfs/dbraw/zinc/38/07/42/916380742.db2.gz AAJVRDDGLAQGBP-SOUVJXGZSA-N 2 0 299.459 1.380 10 0 CDAERP CC/C=C\CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001485289246 916763876 /nfs/dbraw/zinc/76/38/76/916763876.db2.gz SNOSTWFUTAADRF-WJNHHXLDSA-N 2 0 297.443 1.110 10 0 CDAERP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[N@@H+](C)CC[C@H](C)F ZINC001485312377 916792811 /nfs/dbraw/zinc/79/28/11/916792811.db2.gz ICTGOVGZHSJOHJ-QWHCGFSZSA-N 2 0 287.423 1.655 10 0 CDAERP CC(C)[N@H+](C)[C@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001485312666 916795770 /nfs/dbraw/zinc/79/57/70/916795770.db2.gz IHJUMEWCQZDPOL-KGLIPLIRSA-N 2 0 269.433 1.706 10 0 CDAERP C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1=CC[NH+](C)CC1 ZINC001138157563 936481609 /nfs/dbraw/zinc/48/16/09/936481609.db2.gz NXBRPMCFSHEWHU-GUTXKFCHSA-N 2 0 279.428 1.483 10 0 CDAERP C[NH+](C)C1(C)CCC(NC(=O)[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000715574686 919893481 /nfs/dbraw/zinc/89/34/81/919893481.db2.gz ZXZXJXMILUNJGU-MQYJIDSJSA-N 2 0 269.433 1.739 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC)[C@H]2C1 ZINC001486165624 920773085 /nfs/dbraw/zinc/77/30/85/920773085.db2.gz HPCAEOAUBNUXQN-SOUVJXGZSA-N 2 0 281.444 1.565 10 0 CDAERP Cc1cc(C[NH3+])cc(NC(=O)C23CC[NH+](CC2)C3)c1 ZINC000715863278 921926819 /nfs/dbraw/zinc/92/68/19/921926819.db2.gz JRHPMSDGDNRMEB-UHFFFAOYSA-N 2 0 259.353 1.488 10 0 CDAERP Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923492374 923878002 /nfs/dbraw/zinc/87/80/02/923878002.db2.gz NZJASVOUUOANAX-BZUAXINKSA-N 2 0 292.423 1.651 10 0 CDAERP C[N@@H+](CC1=CCCOC1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699292591 924014032 /nfs/dbraw/zinc/01/40/32/924014032.db2.gz WVHXVCVOYPYUOB-GOOCMWNKSA-N 2 0 250.386 1.796 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCn2cncc2C1)[NH2+]C/C=C/Cl ZINC001491506033 936925860 /nfs/dbraw/zinc/92/58/60/936925860.db2.gz AXCQBKHCCJMVHY-VNPHXJNISA-N 2 0 296.802 1.292 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CNC(=O)[C@H]1CCn2ccnc2C1 ZINC001491507003 936926847 /nfs/dbraw/zinc/92/68/47/936926847.db2.gz GHKOMLRUNDZSNB-KGLIPLIRSA-N 2 0 290.411 1.506 10 0 CDAERP C[C@H](CC[NH2+]CCF)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001273201769 924571107 /nfs/dbraw/zinc/57/11/07/924571107.db2.gz CRPXXEWHTLETMK-CYBMUJFWSA-N 2 0 295.402 1.816 10 0 CDAERP CC[NH2+]CCN(CC)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001273710401 924781063 /nfs/dbraw/zinc/78/10/63/924781063.db2.gz UIBLNZFCYWYWED-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001410175074 925350135 /nfs/dbraw/zinc/35/01/35/925350135.db2.gz DKMURRIOIQPEJY-ARFHVFGLSA-N 2 0 295.471 1.955 10 0 CDAERP O=C(NCCC[NH+]1CCCC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001119594320 925416486 /nfs/dbraw/zinc/41/64/86/925416486.db2.gz RBEAKQJNLFHLQA-GJZGRUSLSA-N 2 0 279.428 1.605 10 0 CDAERP COC[C@@H](C)[N@H+](C)C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001410259660 925469584 /nfs/dbraw/zinc/46/95/84/925469584.db2.gz OMUMCQUNYSTCBQ-CQSZACIVSA-N 2 0 299.459 1.284 10 0 CDAERP CCN(CC[NH2+]CC(C)C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001273434846 927235437 /nfs/dbraw/zinc/23/54/37/927235437.db2.gz UALNCUKIKRUMAT-AWEZNQCLSA-N 2 0 271.449 1.667 10 0 CDAERP CC(C)[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001490680250 927280074 /nfs/dbraw/zinc/28/00/74/927280074.db2.gz URDORBKJDXHQQN-KGLIPLIRSA-N 2 0 267.417 1.364 10 0 CDAERP COc1ccccc1[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000817892056 930620810 /nfs/dbraw/zinc/62/08/10/930620810.db2.gz JMOBHFKIARFDDF-BPLDGKMQSA-N 2 0 278.396 1.836 10 0 CDAERP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@@]3(C)CCC[NH2+]3)CC[C@@H]21 ZINC000220888195 931183604 /nfs/dbraw/zinc/18/36/04/931183604.db2.gz AFRYPWSQULWDFN-KCQAQPDRSA-N 2 0 265.401 1.071 10 0 CDAERP CCCCC[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001274250477 931484699 /nfs/dbraw/zinc/48/46/99/931484699.db2.gz HIOLOUZIGMHKAT-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)NC/C=C/C[NH2+]C(C)C)C1 ZINC001274297811 931489015 /nfs/dbraw/zinc/48/90/15/931489015.db2.gz JZVHPQQLPRHXHZ-NFAHFFEMSA-N 2 0 281.444 1.779 10 0 CDAERP CC[C@H](C[NH2+]C/C=C/CNC(=O)C1CC[NH+](C)CC1)OC ZINC001274330917 931491247 /nfs/dbraw/zinc/49/12/47/931491247.db2.gz HTEYZWALKFFMCI-LLYBFZRZSA-N 2 0 297.443 1.015 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC/C=C\C[NH2+]CCCF)C1 ZINC001274499883 931504507 /nfs/dbraw/zinc/50/45/07/931504507.db2.gz YPRZOUOHKHFYSR-VUBDOFJKSA-N 2 0 299.434 1.728 10 0 CDAERP CC[C@H](F)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001274609660 931519611 /nfs/dbraw/zinc/51/96/11/931519611.db2.gz LKJABUVHBMCXDQ-KXLSMFKISA-N 2 0 299.434 1.871 10 0 CDAERP CCC[NH2+]CC(C)(C)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001275751216 931999056 /nfs/dbraw/zinc/99/90/56/931999056.db2.gz RHOLETYQSUYWNO-UHFFFAOYSA-N 2 0 271.449 1.811 10 0 CDAERP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CC[NH+]1CC[C@@H](F)C1 ZINC001411836669 932059455 /nfs/dbraw/zinc/05/94/55/932059455.db2.gz VCRINXCRNQMDFA-MGPQQGTHSA-N 2 0 285.407 1.219 10 0 CDAERP CC(C)C[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001276003545 932225124 /nfs/dbraw/zinc/22/51/24/932225124.db2.gz SLROWURZVSJZAG-CYBMUJFWSA-N 2 0 255.406 1.175 10 0 CDAERP C[NH2+]CCCCC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000719734702 932248512 /nfs/dbraw/zinc/24/85/12/932248512.db2.gz OKPPFEJAFQRECI-UHFFFAOYSA-N 2 0 281.444 1.853 10 0 CDAERP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)[C@@H]2C[C@@H]2C(=O)OC)C1 ZINC001118483211 937632322 /nfs/dbraw/zinc/63/23/22/937632322.db2.gz XJHVGOWHIVZNOV-MQYQWHSLSA-N 2 0 268.401 1.506 10 0 CDAERP OC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925691079 932927702 /nfs/dbraw/zinc/92/77/02/932927702.db2.gz LPJPAYPEXMUHFY-MGPQQGTHSA-N 2 0 252.402 1.802 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000691938361 933447468 /nfs/dbraw/zinc/44/74/68/933447468.db2.gz HDDKCSNEMWEZQI-UHFFFAOYSA-N 2 0 267.417 1.320 10 0 CDAERP CO[C@H](CN1CCc2[nH+]ccc(N)c2C1)[C@@H]1CCOC1 ZINC000931515763 933579642 /nfs/dbraw/zinc/57/96/42/933579642.db2.gz KAULBAVVMAHFGD-IAQYHMDHSA-N 2 0 277.368 1.073 10 0 CDAERP FC(F)(F)[C@@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000687574269 934313892 /nfs/dbraw/zinc/31/38/92/934313892.db2.gz IEUFQILFWGFNCQ-MNOVXSKESA-N 2 0 266.307 1.639 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)C1 ZINC001413519772 936122474 /nfs/dbraw/zinc/12/24/74/936122474.db2.gz JHQTVGQPARESRZ-JJXSEGSLSA-N 2 0 293.455 1.802 10 0 CDAERP CC(C)[NH+](CCN[C@H]1C[C@H]([NH3+])C12CCC2)C(C)C ZINC000405307175 940980716 /nfs/dbraw/zinc/98/07/16/940980716.db2.gz MUELCRXXPUPJNO-KBPBESRZSA-N 2 0 253.434 1.965 10 0 CDAERP O=C(CC[N@H+]1CC[C@@H](F)C1)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC001362080164 970860068 /nfs/dbraw/zinc/86/00/68/970860068.db2.gz PSHMDCQGEUTPCT-ZIAGYGMSSA-N 2 0 283.391 1.021 10 0 CDAERP COCC[NH2+]C1(C)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001281509388 942587373 /nfs/dbraw/zinc/58/73/73/942587373.db2.gz YQKGKQQDORETEM-CQSZACIVSA-N 2 0 299.459 1.190 10 0 CDAERP CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001282960143 942790864 /nfs/dbraw/zinc/79/08/64/942790864.db2.gz YNZHOTZWVBNXDM-BFHYXJOUSA-N 2 0 267.417 1.175 10 0 CDAERP C[NH+]1CCC(CC(=O)NC[C@H]2C[C@@H]([NH2+]CCCF)C2)CC1 ZINC001316623571 942811381 /nfs/dbraw/zinc/81/13/81/942811381.db2.gz JXLIFBIMBIOACW-GASCZTMLSA-N 2 0 299.434 1.562 10 0 CDAERP CCCC[NH2+][C@@H](C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001283622967 942951287 /nfs/dbraw/zinc/95/12/87/942951287.db2.gz SJUFFYZCEUURLH-ZDUSSCGKSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]CC1CC1 ZINC001283725002 942979236 /nfs/dbraw/zinc/97/92/36/942979236.db2.gz WUBZTHORULKMON-GFCCVEGCSA-N 2 0 255.406 1.173 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCF)C(C)(C)C1 ZINC001284313258 943144394 /nfs/dbraw/zinc/14/43/94/943144394.db2.gz OBUUSQHIDLRDCB-UONOGXRCSA-N 2 0 299.434 1.657 10 0 CDAERP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CC1CC(C)C1 ZINC001277922394 944053937 /nfs/dbraw/zinc/05/39/37/944053937.db2.gz MXFFNDNSHZVBBA-ROKHWSDSSA-N 2 0 269.433 1.421 10 0 CDAERP CC(C)[N@H+](C)CCOCCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001264110362 944080059 /nfs/dbraw/zinc/08/00/59/944080059.db2.gz VKWIRQNDOBZJLT-OAHLLOKOSA-N 2 0 299.459 1.143 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCCF)C1 ZINC001264421354 944132715 /nfs/dbraw/zinc/13/27/15/944132715.db2.gz DVFQKGKCHZUWCF-RBSFLKMASA-N 2 0 299.434 1.703 10 0 CDAERP CC(C)=CC[N@H+](C)CCCNC(=O)Cn1cncc1C ZINC001265013006 944199196 /nfs/dbraw/zinc/19/91/96/944199196.db2.gz YMSWWBRGVGGCHI-UHFFFAOYSA-N 2 0 278.400 1.596 10 0 CDAERP C[N@@H+](C/C=C\Cl)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001265058569 944216881 /nfs/dbraw/zinc/21/68/81/944216881.db2.gz YVUXPOTXDIRKEH-KXFIGUGUSA-N 2 0 285.819 1.273 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]([NH2+]CCCF)C2CC2)C1 ZINC001265370219 944361885 /nfs/dbraw/zinc/36/18/85/944361885.db2.gz MZTZXPJEFIJQHU-GXTWGEPZSA-N 2 0 285.407 1.172 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCCC[C@@H]2C[NH2+]CCF)C1 ZINC001265687568 944469866 /nfs/dbraw/zinc/46/98/66/944469866.db2.gz CFHYZIJRSBSACN-UONOGXRCSA-N 2 0 285.407 1.268 10 0 CDAERP CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CCC1CC1)[NH+](C)C ZINC001277987904 944524558 /nfs/dbraw/zinc/52/45/58/944524558.db2.gz KXFDPPDJYVOICM-JSGCOSHPSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001278004932 944555544 /nfs/dbraw/zinc/55/55/44/944555544.db2.gz HQLDGNUPSKYOTE-OAHLLOKOSA-N 2 0 281.444 1.873 10 0 CDAERP CC(C)=CC[N@H+](C)CCCNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001265961752 944600832 /nfs/dbraw/zinc/60/08/32/944600832.db2.gz CVLFUEZPKKRUHK-KRWDZBQOSA-N 2 0 293.455 1.877 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]C/C=C/Cl)C1 ZINC001266032029 944642011 /nfs/dbraw/zinc/64/20/11/944642011.db2.gz OZKSFKQJZCLABJ-BPJJOFIESA-N 2 0 287.835 1.519 10 0 CDAERP C[N@H+](CC(=O)NC/C=C\C[NH2+]CC1CC1)C1CCC1 ZINC001568864442 1169525130 /nfs/dbraw/zinc/52/51/30/1169525130.db2.gz XVXOEULOIMRHLU-IHWYPQMZSA-N 2 0 265.401 1.143 10 0 CDAERP COCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)CC(C)(C)C1 ZINC001479745527 971392312 /nfs/dbraw/zinc/39/23/12/971392312.db2.gz LZPTXLJKQIKBGS-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP COCCCC[NH2+][C@H]1C[C@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001278422405 947872541 /nfs/dbraw/zinc/87/25/41/947872541.db2.gz CJLBKFAJDLTLHR-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@@H](C(=O)N(C)C[C@H](O)C[N@H+](C)CC=C(C)C)[NH+](C)C ZINC001278873140 948009748 /nfs/dbraw/zinc/00/97/48/948009748.db2.gz AYCOCXMJCGKQQE-CABCVRRESA-N 2 0 299.459 1.044 10 0 CDAERP CC[NH+]1CCC(C[NH2+]Cc2nn(C)cc2C)CC1 ZINC000723955437 948431501 /nfs/dbraw/zinc/43/15/01/948431501.db2.gz SCAMKPNCNJPBFK-UHFFFAOYSA-N 2 0 250.390 1.550 10 0 CDAERP CC1CC(C[NH2+][C@H](CNC(=O)C[NH+]2CCCC2)C2CC2)C1 ZINC001480062465 971561063 /nfs/dbraw/zinc/56/10/63/971561063.db2.gz CCAXRZNCMKNTOV-ZBCRRDGASA-N 2 0 293.455 1.613 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC[C@H](C)F)C1 ZINC001480173407 971613257 /nfs/dbraw/zinc/61/32/57/971613257.db2.gz IFBWBLJZFRQYEE-AVGNSLFASA-N 2 0 273.396 1.312 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@](C)(C[NH2+]CCF)C2)C1 ZINC001278550072 949969739 /nfs/dbraw/zinc/96/97/39/949969739.db2.gz KDBCQTBQDRDPTR-UKRRQHHQSA-N 2 0 285.407 1.126 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCCF ZINC001569061108 1169624327 /nfs/dbraw/zinc/62/43/27/1169624327.db2.gz WBQZQSBYWLFLSE-STQMWFEESA-N 2 0 273.396 1.315 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001480232194 971640585 /nfs/dbraw/zinc/64/05/85/971640585.db2.gz KQARSNAXCRQOLO-RQJABVFESA-N 2 0 285.407 1.313 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]C(C)C)C(C)(C)C1 ZINC001278677833 951604940 /nfs/dbraw/zinc/60/49/40/951604940.db2.gz SOYPNZKTFPDBLN-ZDUSSCGKSA-N 2 0 269.433 1.563 10 0 CDAERP C[C@H](O)CCC[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001480734437 971855409 /nfs/dbraw/zinc/85/54/09/971855409.db2.gz FPKPENZIIZEARP-LSDHHAIUSA-N 2 0 299.459 1.022 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC001363495291 953380265 /nfs/dbraw/zinc/38/02/65/953380265.db2.gz GUTLHWXBCGCNDX-BMFZPTHFSA-N 2 0 281.444 1.374 10 0 CDAERP CC(C)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001569152332 1169694280 /nfs/dbraw/zinc/69/42/80/1169694280.db2.gz ZHVSODRFKBNJBP-OLZOCXBDSA-N 2 0 255.406 1.031 10 0 CDAERP CC(C)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001569152333 1169694465 /nfs/dbraw/zinc/69/44/65/1169694465.db2.gz ZHVSODRFKBNJBP-QWHCGFSZSA-N 2 0 255.406 1.031 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CCC[NH+]2CCCF)C1 ZINC001493151685 971957352 /nfs/dbraw/zinc/95/73/52/971957352.db2.gz PBRXLAOTSCHTQV-ZIAGYGMSSA-N 2 0 285.407 1.268 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2C)CC1 ZINC001364044209 954154649 /nfs/dbraw/zinc/15/46/49/954154649.db2.gz XRMACNDYRUSGRT-OAHLLOKOSA-N 2 0 281.444 1.565 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]CCF)CC1 ZINC001326540989 954426490 /nfs/dbraw/zinc/42/64/90/954426490.db2.gz OSXQAPJPMQBBEW-JOCQHMNTSA-N 2 0 273.396 1.172 10 0 CDAERP CN(CC[N@H+](C)C1CC1)C(=O)C1([NH+](C)C)CCCC1 ZINC001296573344 954881320 /nfs/dbraw/zinc/88/13/20/954881320.db2.gz LLDPAPSNGXGKCA-UHFFFAOYSA-N 2 0 267.417 1.413 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)N2CC[NH2+][C@H](C(C)C)C2)CC1 ZINC001363291301 972058043 /nfs/dbraw/zinc/05/80/43/972058043.db2.gz ZIKJLUNQOQWXKF-INIZCTEOSA-N 2 0 295.471 1.811 10 0 CDAERP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCC[C@]4(CCOC4)O3)C[C@@H]2C1 ZINC001363293006 972060898 /nfs/dbraw/zinc/06/08/98/972060898.db2.gz IFMLBQDMBDAGMM-LTIDMASMSA-N 2 0 294.439 1.598 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]C(C)C ZINC001491683836 955357448 /nfs/dbraw/zinc/35/74/48/955357448.db2.gz UWDQMBDXFAPLCW-STQMWFEESA-N 2 0 255.406 1.364 10 0 CDAERP CC(C)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001493613879 972089081 /nfs/dbraw/zinc/08/90/81/972089081.db2.gz QGJPGTKAQGAKOH-OAHLLOKOSA-N 2 0 283.460 1.811 10 0 CDAERP C[NH+]1CCC(CC(=O)N2CC[C@@H](C[NH2+]CCF)C2)CC1 ZINC001491841008 955463065 /nfs/dbraw/zinc/46/30/65/955463065.db2.gz YIHASNSQHKTNAQ-AWEZNQCLSA-N 2 0 285.407 1.126 10 0 CDAERP CC(C)CC[NH2+]CC1CC(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001328912029 955549692 /nfs/dbraw/zinc/54/96/92/955549692.db2.gz PQPOCOWCKQOLOD-UHFFFAOYSA-N 2 0 295.471 1.859 10 0 CDAERP CN(CC[N@H+](C)CCCF)C(=O)CC[C@H]1CCC[NH+]1C ZINC001422168793 955770181 /nfs/dbraw/zinc/77/01/81/955770181.db2.gz PKDQCXXOXCCBEX-CQSZACIVSA-N 2 0 287.423 1.611 10 0 CDAERP CC[C@H]1CCN(C(=[NH2+])NCCC[NH+]2CCCC2)C1 ZINC001329304473 955811776 /nfs/dbraw/zinc/81/17/76/955811776.db2.gz RSHZYGWYHZHHRB-ZDUSSCGKSA-N 2 0 252.406 1.729 10 0 CDAERP CC[C@H](C(=O)NC1(CO)CC[NH+](CC)CC1)[NH+](CC)CC ZINC001422201861 955841042 /nfs/dbraw/zinc/84/10/42/955841042.db2.gz UQUJFEJQYMMVAR-CQSZACIVSA-N 2 0 299.459 1.070 10 0 CDAERP C[C@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]Cc1ccccn1 ZINC001422389058 955975834 /nfs/dbraw/zinc/97/58/34/955975834.db2.gz QAQUMLMSXYGWCJ-KBPBESRZSA-N 2 0 292.427 1.406 10 0 CDAERP CC(C)[NH2+][C@@H](C)[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001422390891 955979820 /nfs/dbraw/zinc/97/98/20/955979820.db2.gz QHWXFIDRVYKUHO-KBPBESRZSA-N 2 0 283.460 1.998 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@@H](C[NH2+]CCC(F)(F)F)C1 ZINC001317337203 956188294 /nfs/dbraw/zinc/18/82/94/956188294.db2.gz XGXGAPJHIYZSKD-NSHDSACASA-N 2 0 295.349 1.329 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CCF)C1 ZINC001317345758 956195671 /nfs/dbraw/zinc/19/56/71/956195671.db2.gz HWFVQPOBCDZNEV-UONOGXRCSA-N 2 0 285.407 1.268 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001422672417 956246674 /nfs/dbraw/zinc/24/66/74/956246674.db2.gz DBQFNGLKIRKCSY-KBPBESRZSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001365801212 956375376 /nfs/dbraw/zinc/37/53/76/956375376.db2.gz HJNXAAHMCMOVDH-JKSUJKDBSA-N 2 0 295.471 1.907 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001365849786 956405062 /nfs/dbraw/zinc/40/50/62/956405062.db2.gz NSHTUJIMLJWSFE-RBSFLKMASA-N 2 0 283.460 1.857 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H]2C[N@@H+](CC)CC[C@@H]2C1 ZINC001365881991 956419577 /nfs/dbraw/zinc/41/95/77/956419577.db2.gz WIDSCVSYFDNHCW-ILXRZTDVSA-N 2 0 299.434 1.467 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001365894587 956427833 /nfs/dbraw/zinc/42/78/33/956427833.db2.gz HIASYWCKGMRBBC-KFWWJZLASA-N 2 0 283.460 1.953 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1CCCN(CCF)C1 ZINC001365933882 956453297 /nfs/dbraw/zinc/45/32/97/956453297.db2.gz FKRODAZGNGSQOI-CHWSQXEVSA-N 2 0 291.386 1.216 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C[NH2+]CC2CC2)C2CC2)CC[N@@H+]1C ZINC001423008741 956505184 /nfs/dbraw/zinc/50/51/84/956505184.db2.gz VLDGIMOWLDQMJK-ARFHVFGLSA-N 2 0 293.455 1.611 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001366077747 956549192 /nfs/dbraw/zinc/54/91/92/956549192.db2.gz QOUWCPUGZSMMHS-OAHLLOKOSA-N 2 0 293.455 1.663 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCF)C2)C1 ZINC001330685730 956565283 /nfs/dbraw/zinc/56/52/83/956565283.db2.gz BJOPLWWLBZAYPS-AJNGGQMLSA-N 2 0 299.434 1.561 10 0 CDAERP CC[C@@H](F)C[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001494182363 972194773 /nfs/dbraw/zinc/19/47/73/972194773.db2.gz YMCXHTJFNNZTEA-LSDHHAIUSA-N 2 0 299.434 1.611 10 0 CDAERP C[NH+](C)CCC(=O)N1CCCC[C@H]1C[NH2+]CC1CCC1 ZINC001366214022 956641626 /nfs/dbraw/zinc/64/16/26/956641626.db2.gz CCETVRMIQKKMBL-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccccc1F ZINC001366269801 956696990 /nfs/dbraw/zinc/69/69/90/956696990.db2.gz NSIQUWCWCBOCBX-WFASDCNBSA-N 2 0 293.386 1.514 10 0 CDAERP CC[C@H](C(=O)N[C@]12CCC[C@H]1[N@H+](CCCF)CC2)[NH+](C)C ZINC001423351403 956735181 /nfs/dbraw/zinc/73/51/81/956735181.db2.gz LAKPXBOALUQOFQ-FMKPAKJESA-N 2 0 299.434 1.799 10 0 CDAERP CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001423356656 956736696 /nfs/dbraw/zinc/73/66/96/956736696.db2.gz IDFSFUCEKOKJKQ-RBSFLKMASA-N 2 0 281.444 1.565 10 0 CDAERP CCC(CC)C[NH2+][C@@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001366345238 956759780 /nfs/dbraw/zinc/75/97/80/956759780.db2.gz LJYZEZZRZQAOHO-ZFWWWQNUSA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001366424221 956809615 /nfs/dbraw/zinc/80/96/15/956809615.db2.gz BMZOATAQDHKNHN-HZPDHXFCSA-N 2 0 295.471 1.907 10 0 CDAERP C[N@H+](CCCF)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001366448759 956842341 /nfs/dbraw/zinc/84/23/41/956842341.db2.gz QHCMILFJPVKFHG-GJZGRUSLSA-N 2 0 299.434 1.753 10 0 CDAERP CC[N@H+](C)CCOCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001331134380 956842559 /nfs/dbraw/zinc/84/25/59/956842559.db2.gz VTRCPBUBEZKSPJ-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1nocc1C)[NH+](C)C ZINC001366481014 956864796 /nfs/dbraw/zinc/86/47/96/956864796.db2.gz UHBJWQBOIONVCB-TZMCWYRMSA-N 2 0 296.415 1.308 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@]1(C)CC[NH+](CC2CC(C)C2)C1 ZINC001423593323 956888885 /nfs/dbraw/zinc/88/88/85/956888885.db2.gz LHLNVLRBBVUPTK-VMBOVVBDSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@@H]1[C@H](C(=O)N[C@H](C[NH2+]CC2CC2)C(C)(C)C)CC[N@@H+]1C ZINC001423599186 956895990 /nfs/dbraw/zinc/89/59/90/956895990.db2.gz GRNJXHJUBJRGKC-BPLDGKMQSA-N 2 0 295.471 1.857 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@](C)(C[NH2+]CC)C2)C1 ZINC001423624771 956908026 /nfs/dbraw/zinc/90/80/26/956908026.db2.gz DYDQDQPSYOREFV-DOTOQJQBSA-N 2 0 295.471 1.957 10 0 CDAERP CC[NH+]1CCC([C@H](C)NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001423666464 956929149 /nfs/dbraw/zinc/92/91/49/956929149.db2.gz OIEJUBSYDLJWNE-AWEZNQCLSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[N@H+](C)CC ZINC001316705624 956994637 /nfs/dbraw/zinc/99/46/37/956994637.db2.gz FEOIAYZNOJFBKJ-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC1CCC1 ZINC001331407708 957030369 /nfs/dbraw/zinc/03/03/69/957030369.db2.gz SZBBMVQANMLLPZ-OCCSQVGLSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@H]([NH2+]CCF)[C@H]1CCN(C(=O)C(C)(C)c2cnc[nH]2)C1 ZINC001423954349 957053649 /nfs/dbraw/zinc/05/36/49/957053649.db2.gz ROKIIVBYRBGTDW-RYUDHWBXSA-N 2 0 296.390 1.483 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001317066414 957241469 /nfs/dbraw/zinc/24/14/69/957241469.db2.gz PXYYPFFAKGTUGD-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@H](C[NH2+]CCF)C2)C1 ZINC001317164624 957313329 /nfs/dbraw/zinc/31/33/29/957313329.db2.gz ZDYCCFVTTIRYDK-UONOGXRCSA-N 2 0 285.407 1.126 10 0 CDAERP C[C@H](NC(=O)C[NH+]1CCC(C)CC1)[C@H](C)[NH2+]CCF ZINC001424834099 957376125 /nfs/dbraw/zinc/37/61/25/957376125.db2.gz PECKXDAAXWJCGT-STQMWFEESA-N 2 0 273.396 1.171 10 0 CDAERP Cc1ncoc1C[NH2+]CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001569266524 1169742486 /nfs/dbraw/zinc/74/24/86/1169742486.db2.gz AGJIOLWDEAHQTE-UHFFFAOYSA-N 2 0 294.399 1.017 10 0 CDAERP CC[C@@H](C(=O)N1CC[C@H](C[NH2+]CCOC(C)C)C1)[NH+](C)C ZINC001317340240 957430603 /nfs/dbraw/zinc/43/06/03/957430603.db2.gz VXBXUENGUHJQBM-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP O=C(N1CC[C@@H](C[NH2+]CCC2CC2)C1)C12CC[NH+](CC1)C2 ZINC001317343525 957432187 /nfs/dbraw/zinc/43/21/87/957432187.db2.gz MDOFDDMIWZNXOF-HNNXBMFYSA-N 2 0 291.439 1.320 10 0 CDAERP COCCC[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001317404482 957455724 /nfs/dbraw/zinc/45/57/24/957455724.db2.gz VBBWDKQFTMLUQU-ILXRZTDVSA-N 2 0 299.459 1.238 10 0 CDAERP CC(C)OCC[N@H+](C)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001425056260 957459072 /nfs/dbraw/zinc/45/90/72/957459072.db2.gz LOPFVCYDVHDBLM-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1CCF ZINC001317429070 957467519 /nfs/dbraw/zinc/46/75/19/957467519.db2.gz FSDKFWBENXVHJM-GJZGRUSLSA-N 2 0 299.434 1.801 10 0 CDAERP C[C@H](F)CC[NH+]1CC([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001425265351 957499388 /nfs/dbraw/zinc/49/93/88/957499388.db2.gz ZWYQZMZHKHMPSO-RYUDHWBXSA-N 2 0 273.396 1.123 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]C(C)C)C(C)(C)C1 ZINC001332436293 957565108 /nfs/dbraw/zinc/56/51/08/957565108.db2.gz DLHRTDUDRVUWMP-ZDUSSCGKSA-N 2 0 269.433 1.563 10 0 CDAERP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]C/C=C\Cl ZINC001425685823 957599101 /nfs/dbraw/zinc/59/91/01/957599101.db2.gz SCWGGPHWQNDBCV-CZVUKNJHSA-N 2 0 273.808 1.127 10 0 CDAERP Cc1cc(C[NH2+]CCN(C)C(=O)[C@H]2CC[N@H+](C)C2)cs1 ZINC001317661966 957629929 /nfs/dbraw/zinc/62/99/29/957629929.db2.gz SKFJRKMRIMFUMY-AWEZNQCLSA-N 2 0 295.452 1.556 10 0 CDAERP CCC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001332899706 957924483 /nfs/dbraw/zinc/92/44/83/957924483.db2.gz QWUMRBKOURXYSM-OLZOCXBDSA-N 2 0 269.433 1.469 10 0 CDAERP COCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001494842494 972322003 /nfs/dbraw/zinc/32/20/03/972322003.db2.gz GCMJCXHVHOUOLU-CABCVRRESA-N 2 0 297.443 1.040 10 0 CDAERP CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001318604692 958182083 /nfs/dbraw/zinc/18/20/83/958182083.db2.gz FFNOSIGLMLGMQQ-STQMWFEESA-N 2 0 255.406 1.365 10 0 CDAERP CCCCC[N@H+]1CC=C(CNC(=O)Cn2ccnc2)CC1 ZINC001333460564 958353553 /nfs/dbraw/zinc/35/35/53/958353553.db2.gz CSIDEXNIDMRMPM-UHFFFAOYSA-N 2 0 290.411 1.822 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@H](C)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001319490306 958590690 /nfs/dbraw/zinc/59/06/90/958590690.db2.gz BXTMBSPZCHGNDP-KGLIPLIRSA-N 2 0 299.434 1.799 10 0 CDAERP CC[NH2+]CC[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001319775173 958721489 /nfs/dbraw/zinc/72/14/89/958721489.db2.gz RAQNUKSAHXZTAZ-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[N@H+](C)CC(=O)NCC1([NH2+]CC(C)C)CCOCC1 ZINC001368242498 958722899 /nfs/dbraw/zinc/72/28/99/958722899.db2.gz VDEQUVHLPPZKOD-UHFFFAOYSA-N 2 0 299.459 1.239 10 0 CDAERP CN(C[C@H]1CC[N@@H+]1CC1CCCC1)C(=O)CC[NH+](C)C ZINC001368399398 958815252 /nfs/dbraw/zinc/81/52/52/958815252.db2.gz KFZABRVUBZIRMN-OAHLLOKOSA-N 2 0 281.444 1.661 10 0 CDAERP CC[N@@H+]1CCC[C@H](CNC(=[NH2+])NC[C@@H]2CCCS2)C1 ZINC001334086625 958825454 /nfs/dbraw/zinc/82/54/54/958825454.db2.gz HOJKWLIKEJFLJO-OLZOCXBDSA-N 2 0 284.473 1.728 10 0 CDAERP CC[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CCF ZINC001495036569 972380908 /nfs/dbraw/zinc/38/09/08/972380908.db2.gz UAQZSRHBHVSPJQ-LBPRGKRZSA-N 2 0 273.396 1.315 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001368501912 958905938 /nfs/dbraw/zinc/90/59/38/958905938.db2.gz SVVFCOKBJVAPAZ-YHUYYLMFSA-N 2 0 295.471 1.859 10 0 CDAERP C[C@@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC1CCC1 ZINC001368736614 959092409 /nfs/dbraw/zinc/09/24/09/959092409.db2.gz MZNTZEOUVWMYJS-KGLIPLIRSA-N 2 0 281.444 1.613 10 0 CDAERP C[N@H+](CCCF)C[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001368813587 959150125 /nfs/dbraw/zinc/15/01/25/959150125.db2.gz IMNCKROANKAUBJ-CQSZACIVSA-N 2 0 297.418 1.365 10 0 CDAERP Cc1nocc1C[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001368894438 959233076 /nfs/dbraw/zinc/23/30/76/959233076.db2.gz NNBXMFTTZIDEDX-RYUDHWBXSA-N 2 0 296.415 1.306 10 0 CDAERP Cc1ncoc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001368918479 959252608 /nfs/dbraw/zinc/25/26/08/959252608.db2.gz UZMSCEQBGJOIHF-NWDGAFQWSA-N 2 0 294.399 1.062 10 0 CDAERP CC[NH2+]CC[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001320641266 959291145 /nfs/dbraw/zinc/29/11/45/959291145.db2.gz VRALPPJXWVGPOE-CQSZACIVSA-N 2 0 269.433 1.757 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@@H]1[NH+](C(C)C)CC2 ZINC001369405472 959666685 /nfs/dbraw/zinc/66/66/85/959666685.db2.gz COJGVMJACMSGCO-HOCLYGCPSA-N 2 0 281.444 1.850 10 0 CDAERP CCC[NH2+]C[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001321567870 959853443 /nfs/dbraw/zinc/85/34/43/959853443.db2.gz OSDZWSYSDPFLNI-LLVKDONJSA-N 2 0 274.368 1.761 10 0 CDAERP C[C@H](C[NH2+]CC=C(Cl)Cl)NC(=O)CC[NH+](C)C ZINC001321642723 959885321 /nfs/dbraw/zinc/88/53/21/959885321.db2.gz WSRUGYQFVLEXCC-SECBINFHSA-N 2 0 282.215 1.351 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CCC(C)(C)C)C1)[NH+](C)C ZINC001369978368 959941744 /nfs/dbraw/zinc/94/17/44/959941744.db2.gz FAOFSQIRWNRJGP-UONOGXRCSA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1)[NH+](C)C ZINC001370052476 959974098 /nfs/dbraw/zinc/97/40/98/959974098.db2.gz YJVTVTZDJZOBFS-HUUCEWRRSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001370214574 960023879 /nfs/dbraw/zinc/02/38/79/960023879.db2.gz LZDLRVIIUPVLOP-IUODEOHRSA-N 2 0 299.434 1.561 10 0 CDAERP C[C@@H](C[NH2+]CCc1ccccc1F)NC(=O)CC[NH+](C)C ZINC001321969066 960039027 /nfs/dbraw/zinc/03/90/27/960039027.db2.gz QLVNFJCULYURPS-ZDUSSCGKSA-N 2 0 295.402 1.414 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)C[NH2+]C(C)(C)C)CC[N@@H+]1C ZINC001322046883 960066385 /nfs/dbraw/zinc/06/63/85/960066385.db2.gz JQFHPLPJEHQMFP-NEPJUHHUSA-N 2 0 255.406 1.316 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC=C(Cl)Cl)C1 ZINC001370672141 960181206 /nfs/dbraw/zinc/18/12/06/960181206.db2.gz ZFGDLYUXXCHBIF-AOOOYVTPSA-N 2 0 294.226 1.494 10 0 CDAERP CN(CCC[NH2+]C/C=C/Cl)C(=O)CCc1c[nH]cn1 ZINC001322539806 960252636 /nfs/dbraw/zinc/25/26/36/960252636.db2.gz IEBQGHTZEHNZHF-QHHAFSJGSA-N 2 0 284.791 1.533 10 0 CDAERP CC(C)=CC[NH2+]CCCN(C)C(=O)C[N@@H+](C)C(C)C ZINC001322844543 960341334 /nfs/dbraw/zinc/34/13/34/960341334.db2.gz RWFHEQASIUBGPP-UHFFFAOYSA-N 2 0 269.433 1.731 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH]cn1 ZINC001323319935 960645349 /nfs/dbraw/zinc/64/53/49/960645349.db2.gz UFYWTHHUSZJQOR-DGCLKSJQSA-N 2 0 264.373 1.187 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CC2)C1 ZINC001418725600 960950643 /nfs/dbraw/zinc/95/06/43/960950643.db2.gz NUYLWQJSTQCVEH-LSDHHAIUSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[NH+]1CCCC1 ZINC001418743001 960968282 /nfs/dbraw/zinc/96/82/82/960968282.db2.gz QIGCRGSJNCYZDI-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH+](C)C ZINC001337236521 961048763 /nfs/dbraw/zinc/04/87/63/961048763.db2.gz BKMKNKJPPBAPAF-CQSZACIVSA-N 2 0 269.433 1.661 10 0 CDAERP CCCCC[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001324017332 961110108 /nfs/dbraw/zinc/11/01/08/961110108.db2.gz JGZRQWCKDMYLHT-CYBMUJFWSA-N 2 0 267.417 1.271 10 0 CDAERP CC[N@@H+]1CC[C@@H](CCNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001418893421 961136869 /nfs/dbraw/zinc/13/68/69/961136869.db2.gz GAEIUJSDPKOQTJ-OAHLLOKOSA-N 2 0 293.455 1.711 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CCNC(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001418908430 961149570 /nfs/dbraw/zinc/14/95/70/961149570.db2.gz OZVMCHHGIZYVNW-KGLIPLIRSA-N 2 0 292.427 1.825 10 0 CDAERP CC[C@@H](C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C(C)C)C1)OC ZINC001419127605 961406609 /nfs/dbraw/zinc/40/66/09/961406609.db2.gz MVRLWMIIKLMIDX-GJZGRUSLSA-N 2 0 299.459 1.284 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001419171253 961465831 /nfs/dbraw/zinc/46/58/31/961465831.db2.gz FPGOYFIBPRHUCG-CHWSQXEVSA-N 2 0 285.407 1.267 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCCC1 ZINC001419596296 961854553 /nfs/dbraw/zinc/85/45/53/961854553.db2.gz QTUHXJAMYWRMGU-KGLIPLIRSA-N 2 0 299.434 1.847 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1cc(C)ns1)[NH+](C)C ZINC001437175395 962697586 /nfs/dbraw/zinc/69/75/86/962697586.db2.gz VQDZYVNWNMJPKN-DGCLKSJQSA-N 2 0 298.456 1.386 10 0 CDAERP C[NH+](C)C1(C(=O)NC[C@H]2C[NH+]3CCC2CC3)CCCC1 ZINC001420411129 962875558 /nfs/dbraw/zinc/87/55/58/962875558.db2.gz DFRIRMWXDBTCMO-AWEZNQCLSA-N 2 0 279.428 1.319 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001420413520 962879718 /nfs/dbraw/zinc/87/97/18/962879718.db2.gz KEUVQSIASQYPCT-MRXNPFEDSA-N 2 0 293.455 1.565 10 0 CDAERP CC(C)OCC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001420492850 962974541 /nfs/dbraw/zinc/97/45/41/962974541.db2.gz KHJQXTCJYRYLBY-HNNXBMFYSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001437568637 963023594 /nfs/dbraw/zinc/02/35/94/963023594.db2.gz CBCHWADAYRMWFI-OAGGEKHMSA-N 2 0 295.471 1.811 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001437650933 963092366 /nfs/dbraw/zinc/09/23/66/963092366.db2.gz OTSSYLGCMRIDSA-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1C[C@@H](F)CC ZINC001437692474 963123066 /nfs/dbraw/zinc/12/30/66/963123066.db2.gz YGUBLBWWWBRLPZ-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001420863982 963313904 /nfs/dbraw/zinc/31/39/04/963313904.db2.gz AYAGWNLYHVYOHE-INIZCTEOSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)CCC[NH+]1CC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001438161807 963347310 /nfs/dbraw/zinc/34/73/10/963347310.db2.gz QMSXQGHUHURPBI-HNNXBMFYSA-N 2 0 295.471 1.812 10 0 CDAERP CCCC[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001420954511 963381834 /nfs/dbraw/zinc/38/18/34/963381834.db2.gz ZUPLGVGOALUHMF-HOTGVXAUSA-N 2 0 295.471 1.909 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+][C@@H](C)COC)CC1 ZINC001421005646 963410917 /nfs/dbraw/zinc/41/09/17/963410917.db2.gz MERMWEYHMTWPAP-UONOGXRCSA-N 2 0 297.443 1.134 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCC2CC2)[C@H](C)C1 ZINC001438777364 963548285 /nfs/dbraw/zinc/54/82/85/963548285.db2.gz RQQDASJDGWWMDB-GDBMZVCRSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](C[N@H+](C)CCC1CC1)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001439326505 963724582 /nfs/dbraw/zinc/72/45/82/963724582.db2.gz MJIXQQSKUFUFNG-UMVBOHGHSA-N 2 0 281.444 1.563 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+](C[C@H]2CCCCO2)C1 ZINC001439850992 963880317 /nfs/dbraw/zinc/88/03/17/963880317.db2.gz LXOQIKHYXGXRHB-ZBFHGGJFSA-N 2 0 297.443 1.088 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]([NH2+]C/C=C/Cl)C2)C1 ZINC001441422004 964507800 /nfs/dbraw/zinc/50/78/00/964507800.db2.gz YCBSULVDZAXZRF-TVNDVJIGSA-N 2 0 285.819 1.318 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001441935073 964796291 /nfs/dbraw/zinc/79/62/91/964796291.db2.gz IEDPUMZUIVRASK-RYUDHWBXSA-N 2 0 291.386 1.468 10 0 CDAERP CC[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)CC[C@H](C)F ZINC001479860152 964864728 /nfs/dbraw/zinc/86/47/28/964864728.db2.gz UJDHQXLSKMZNQV-AWEZNQCLSA-N 2 0 299.434 1.659 10 0 CDAERP CC[NH+]1CCC([C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001442204509 964910443 /nfs/dbraw/zinc/91/04/43/964910443.db2.gz MZQCZKHJGFJINM-KGLIPLIRSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@@H](C)C[NH2+]C1CC(N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001442249392 964959818 /nfs/dbraw/zinc/95/98/18/964959818.db2.gz DXOJGDMURWUZCN-WLYUNCDWSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[N@H+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)C1CC1 ZINC001443011472 965319911 /nfs/dbraw/zinc/31/99/11/965319911.db2.gz BJAKFXWHCMLICV-HOCLYGCPSA-N 2 0 293.455 1.992 10 0 CDAERP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCC[NH+]3CC=CCC3)C[N@@H+]2C1 ZINC001347018663 965333650 /nfs/dbraw/zinc/33/36/50/965333650.db2.gz OITCZFZCFCDSRO-OAGGEKHMSA-N 2 0 291.439 1.485 10 0 CDAERP CC(C)[NH2+]C[C@](C)(NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001444129967 965742161 /nfs/dbraw/zinc/74/21/61/965742161.db2.gz YSGXUCBZNHQDAM-HOCLYGCPSA-N 2 0 281.444 1.754 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001444249106 965767930 /nfs/dbraw/zinc/76/79/30/965767930.db2.gz SCAPXBMTOSNWNK-KFWWJZLASA-N 2 0 299.434 1.799 10 0 CDAERP CC/C=C\CC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001569426308 1169878685 /nfs/dbraw/zinc/87/86/85/1169878685.db2.gz MRJMDRCOWOZOTO-XVWMLYKFSA-N 2 0 293.455 1.923 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC001444860270 965978795 /nfs/dbraw/zinc/97/87/95/965978795.db2.gz VSFYMBZGOUMYBK-LSDHHAIUSA-N 2 0 283.460 1.907 10 0 CDAERP C[C@@H](C[N@H+](C)CCc1ccccc1)NC(=O)CC[NH+](C)C ZINC001445801378 966342203 /nfs/dbraw/zinc/34/22/03/966342203.db2.gz ROHZKQWUKSZKEQ-HNNXBMFYSA-N 2 0 291.439 1.617 10 0 CDAERP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC001349419937 966344559 /nfs/dbraw/zinc/34/45/59/966344559.db2.gz CYUDWFJCOAUOQL-RDBSUJKOSA-N 2 0 267.417 1.447 10 0 CDAERP CC[N@H+](C)C[C@H](C)NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001445819078 966347310 /nfs/dbraw/zinc/34/73/10/966347310.db2.gz NLDWDRPROONXRK-WFASDCNBSA-N 2 0 287.423 1.655 10 0 CDAERP CC(C)[NH2+]C[C@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001445960050 966400592 /nfs/dbraw/zinc/40/05/92/966400592.db2.gz JBFGHBAAKDBSCY-CABCVRRESA-N 2 0 281.444 1.754 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CCC[N@H+](C)CCF ZINC001447371003 966770634 /nfs/dbraw/zinc/77/06/34/966770634.db2.gz BFWJZCLNYPHIOS-ZIAGYGMSSA-N 2 0 287.423 1.609 10 0 CDAERP CC(C)[N@H+](C)CCCNC(=O)[C@@H]1CC[C@H]2C[C@@H](C)C[NH+]2C1 ZINC001350892554 966789860 /nfs/dbraw/zinc/78/98/60/966789860.db2.gz QJGSJPLOIQRRCP-OAGGEKHMSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]Cc1ccns1 ZINC001447910986 966927217 /nfs/dbraw/zinc/92/72/17/966927217.db2.gz WJNQZZRZOABLRT-RYUDHWBXSA-N 2 0 298.456 1.468 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCOC2CCC2)C1 ZINC001480120464 967124801 /nfs/dbraw/zinc/12/48/01/967124801.db2.gz OKTYFBHWQULOHU-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP CCN(C(=O)[C@H](C)CC[NH+](C)C)[C@@H]1CC[N@H+](CC)C1 ZINC001300618987 968725618 /nfs/dbraw/zinc/72/56/18/968725618.db2.gz FNFYNISRUHTYKJ-ZIAGYGMSSA-N 2 0 269.433 1.517 10 0 CDAERP FC(F)(F)c1c[nH+]ccc1N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001472888674 968970143 /nfs/dbraw/zinc/97/01/43/968970143.db2.gz LFHJBIXILMXMCU-SECBINFHSA-N 2 0 287.285 1.668 10 0 CDAERP C[C@H]1CCC[C@H](C[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC001460339564 969500316 /nfs/dbraw/zinc/50/03/16/969500316.db2.gz MSRBDSMUELTPIC-GJZGRUSLSA-N 2 0 281.444 1.519 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC001466010556 969913645 /nfs/dbraw/zinc/91/36/45/969913645.db2.gz GOXMGLUEDSZRAZ-UPJWGTAASA-N 2 0 267.417 1.316 10 0 CDAERP C[C@@H]1CCC[N@H+](CCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001361648262 970380153 /nfs/dbraw/zinc/38/01/53/970380153.db2.gz VGGCLNVVNQOZSF-OAGGEKHMSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@H]([NH2+]CC[C@@H]2CCCCO2)C1 ZINC001371533528 972543052 /nfs/dbraw/zinc/54/30/52/972543052.db2.gz YZVFNDQIXCOGAL-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@@H](C[NH2+]CC2CCCC2)C1 ZINC001371608426 972565636 /nfs/dbraw/zinc/56/56/36/972565636.db2.gz RVIFRRAYTBPFSQ-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]C/C=C\Cl)C1 ZINC001371635820 972573404 /nfs/dbraw/zinc/57/34/04/972573404.db2.gz LTVGGCWCQNRXIK-PAELRZLGSA-N 2 0 287.835 1.708 10 0 CDAERP CC(C)C[N@@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001569646797 1169951757 /nfs/dbraw/zinc/95/17/57/1169951757.db2.gz RZKNOAXPBYUUCB-AWEZNQCLSA-N 2 0 255.406 1.175 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]C(C)C ZINC001496098729 972792308 /nfs/dbraw/zinc/79/23/08/972792308.db2.gz NGKFXSUPCMAYFV-CABCVRRESA-N 2 0 283.460 1.952 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]C(C)C)C1 ZINC001496144862 972817919 /nfs/dbraw/zinc/81/79/19/972817919.db2.gz JKECHPLSAFQVHP-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP COCC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001496817174 973108837 /nfs/dbraw/zinc/10/88/37/973108837.db2.gz UDBXAEUNEJJXAP-CABCVRRESA-N 2 0 299.459 1.143 10 0 CDAERP COCC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001496817176 973108995 /nfs/dbraw/zinc/10/89/95/973108995.db2.gz UDBXAEUNEJJXAP-GJZGRUSLSA-N 2 0 299.459 1.143 10 0 CDAERP C[C@H](O)C[NH2+]CC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001497188112 973236959 /nfs/dbraw/zinc/23/69/59/973236959.db2.gz GISWFQQYBJCZDL-KBPBESRZSA-N 2 0 299.459 1.116 10 0 CDAERP COCC[N@@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@H]1C ZINC001417854803 973419613 /nfs/dbraw/zinc/41/96/13/973419613.db2.gz RBNAZANOXAKLBN-KFWWJZLASA-N 2 0 297.443 1.086 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC/C=C\C[NH2+]CCC2CC2)C1 ZINC001497732699 973481855 /nfs/dbraw/zinc/48/18/55/973481855.db2.gz SRSVLPCWOKJPNN-MPNWYJEXSA-N 2 0 279.428 1.390 10 0 CDAERP CO[C@H](C)C[N@@H+]1CCC[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001418140041 973606077 /nfs/dbraw/zinc/60/60/77/973606077.db2.gz TUCAVBRGLYSHKC-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccccc1)[NH+](C)C ZINC001374316293 973887113 /nfs/dbraw/zinc/88/71/13/973887113.db2.gz WPLPVSPVTRYNHA-GDBMZVCRSA-N 2 0 291.439 1.963 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001418525971 973929442 /nfs/dbraw/zinc/92/94/42/973929442.db2.gz AVMRQSUDFPKSDD-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[NH2+]C[C@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001498774293 974056222 /nfs/dbraw/zinc/05/62/22/974056222.db2.gz LWDUDJSIUMRNFA-CABCVRRESA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H](C[NH2+][C@H](C)c1ccccc1)NC(=O)C[NH+]1CCCC1 ZINC001374845670 974145148 /nfs/dbraw/zinc/14/51/48/974145148.db2.gz CSRUVPQBEVUTPM-HUUCEWRRSA-N 2 0 289.423 1.938 10 0 CDAERP Cc1ncoc1C[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001374962683 974191124 /nfs/dbraw/zinc/19/11/24/974191124.db2.gz IKYPEBPCPWACNK-SMDDNHRTSA-N 2 0 296.415 1.164 10 0 CDAERP CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1C(C)C)[NH+]1CCCC1 ZINC001499130739 974192599 /nfs/dbraw/zinc/19/25/99/974192599.db2.gz BWEZLPBCCQKMKL-GJZGRUSLSA-N 2 0 281.444 1.706 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]CC[C@H]2CCCO2)CC1 ZINC001499458632 974256163 /nfs/dbraw/zinc/25/61/63/974256163.db2.gz JXZQXDAVFLPTDJ-CQSZACIVSA-N 2 0 297.443 1.134 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H]1C[NH2+]CCC1CC1 ZINC001499922356 974335887 /nfs/dbraw/zinc/33/58/87/974335887.db2.gz AUVNZSZFGFUERZ-AWEZNQCLSA-N 2 0 267.417 1.319 10 0 CDAERP COC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001376370533 974643721 /nfs/dbraw/zinc/64/37/21/974643721.db2.gz FQWMWJYLEIYIFC-ZQDZILKHSA-N 2 0 297.443 1.133 10 0 CDAERP CC(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C2 ZINC001376378736 974647226 /nfs/dbraw/zinc/64/72/26/974647226.db2.gz PHOPQBMQKQNJSH-MUJYYYPQSA-N 2 0 295.471 1.953 10 0 CDAERP Cc1cc(C[NH2+][C@H]2C[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)on1 ZINC001376403346 974652974 /nfs/dbraw/zinc/65/29/74/974652974.db2.gz BFPQHOIKJVYSNQ-JOCQHMNTSA-N 2 0 294.399 1.060 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1C[C@H]([NH2+]C/C=C\Cl)C1 ZINC001376405547 974653182 /nfs/dbraw/zinc/65/31/82/974653182.db2.gz IPLVDJCAWQVGEI-VAGMURCRSA-N 2 0 299.846 1.849 10 0 CDAERP C[C@H](F)CC[NH2+]C1(CNC(=O)CC[NH+](C)C)CCC1 ZINC001501996136 974670520 /nfs/dbraw/zinc/67/05/20/974670520.db2.gz SWELZYYNPFVURU-LBPRGKRZSA-N 2 0 273.396 1.315 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[C@H](C)O2)C1 ZINC001376490891 974674969 /nfs/dbraw/zinc/67/49/69/974674969.db2.gz LYVJKQYJSCRMPG-XQLPTFJDSA-N 2 0 297.443 1.133 10 0 CDAERP CC[C@H](C(=O)NC[C@H]1CCC[N@H+](CC2CCC2)C1)[NH+](C)C ZINC001376523586 974679596 /nfs/dbraw/zinc/67/95/96/974679596.db2.gz FLSQNFAKBCTXGK-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC1CC2(CCC2)C1 ZINC001376787196 974768799 /nfs/dbraw/zinc/76/87/99/974768799.db2.gz UKIATYNLMQDYIZ-UKRRQHHQSA-N 2 0 293.455 1.755 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001505461078 974887456 /nfs/dbraw/zinc/88/74/56/974887456.db2.gz DOWPCWMYORIACE-JKSUJKDBSA-N 2 0 293.455 1.827 10 0 CDAERP CCC[NH2+]CC1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001505497416 974895341 /nfs/dbraw/zinc/89/53/41/974895341.db2.gz HKEDEMALUZVIHP-BLYZHGLHSA-N 2 0 267.417 1.221 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001377151639 974907249 /nfs/dbraw/zinc/90/72/49/974907249.db2.gz GTOHYFRVUXYGRZ-DZGCQCFKSA-N 2 0 281.444 1.422 10 0 CDAERP CC[N@H+](C)CCC(=O)NCC[NH+](C)C[C@H]1CCO[C@H](C)C1 ZINC001377239796 974941815 /nfs/dbraw/zinc/94/18/15/974941815.db2.gz CFLNMBDFHFLJQD-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP CCC[NH2+]C1(C)CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001377288261 974959235 /nfs/dbraw/zinc/95/92/35/974959235.db2.gz XWVMLLXMJPZNEE-UHFFFAOYSA-N 2 0 281.444 1.851 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001377456736 975035771 /nfs/dbraw/zinc/03/57/71/975035771.db2.gz BOUMRZMAYFIOGI-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)[C@H]1CC[NH+](CC[C@@H](C)F)C1 ZINC001378193846 975280340 /nfs/dbraw/zinc/28/03/40/975280340.db2.gz VUFUHCNPXKGOSC-KGLIPLIRSA-N 2 0 287.423 1.609 10 0 CDAERP CCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001507322856 975415449 /nfs/dbraw/zinc/41/54/49/975415449.db2.gz UMSIQLRQSBZCJD-UKRRQHHQSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C[NH+](C)CCC2CC2)C1 ZINC001404594851 975431189 /nfs/dbraw/zinc/43/11/89/975431189.db2.gz GCWPCYBOEDDGOP-MRXNPFEDSA-N 2 0 295.471 1.907 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)c1cnc[nH]1 ZINC001397056227 975451430 /nfs/dbraw/zinc/45/14/30/975451430.db2.gz WNEMIKSROYYJMM-ZDUSSCGKSA-N 2 0 292.427 1.876 10 0 CDAERP Cc1ccncc1C[NH2+]C[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001401124846 975475039 /nfs/dbraw/zinc/47/50/39/975475039.db2.gz IEQFODBXVNDVMV-CYBMUJFWSA-N 2 0 292.427 1.184 10 0 CDAERP CC(C)[NH2+]C[C@H](C)N(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001401265381 975553019 /nfs/dbraw/zinc/55/30/19/975553019.db2.gz GNRYLHSEAXLYDI-GJZGRUSLSA-N 2 0 283.460 1.952 10 0 CDAERP CC(C)[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccsc1 ZINC001378994815 975582239 /nfs/dbraw/zinc/58/22/39/975582239.db2.gz VAHIMTXSEBPBMF-CQSZACIVSA-N 2 0 297.468 1.930 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001388836440 975613193 /nfs/dbraw/zinc/61/31/93/975613193.db2.gz WQSVQQYCJQIFBX-CABCVRRESA-N 2 0 281.444 1.661 10 0 CDAERP CCC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@H]21 ZINC001379148164 975692698 /nfs/dbraw/zinc/69/26/98/975692698.db2.gz JCMGJVIQAGRZHU-LSDHHAIUSA-N 2 0 281.444 1.659 10 0 CDAERP Cc1ncoc1C[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001379335085 975774946 /nfs/dbraw/zinc/77/49/46/975774946.db2.gz ZSJHIMYREMQQMS-GFCCVEGCSA-N 2 0 296.415 1.260 10 0 CDAERP Cc1ccc(C[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C)c(C)c1 ZINC001401700831 975812050 /nfs/dbraw/zinc/81/20/50/975812050.db2.gz SHXYBHPQLFFYHM-HNNXBMFYSA-N 2 0 291.439 1.849 10 0 CDAERP C[C@@H](C[N@H+](C)CCC(C)(C)C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001401732523 975850818 /nfs/dbraw/zinc/85/08/18/975850818.db2.gz JWMGDUQQQJZHTR-KBPBESRZSA-N 2 0 283.460 1.953 10 0 CDAERP O=C(C[NH+]1CCCC1)NCC1([NH2+]CC2CCC2)CCCC1 ZINC001405774138 975856586 /nfs/dbraw/zinc/85/65/86/975856586.db2.gz MEFDLTZDFLYWFA-UHFFFAOYSA-N 2 0 293.455 1.901 10 0 CDAERP CCc1nocc1C[NH2+]C[C@H](C)N(C)C(=O)CC[NH+](C)C ZINC001405852183 975907492 /nfs/dbraw/zinc/90/74/92/975907492.db2.gz OCPUOMFFYDQSQK-LBPRGKRZSA-N 2 0 296.415 1.125 10 0 CDAERP CC(C)(C(=O)NC[C@@H]([NH2+]CCF)C1CC1)[NH+]1CCCC1 ZINC001389640017 975939230 /nfs/dbraw/zinc/93/92/30/975939230.db2.gz AYVWAGIBPBALDX-CYBMUJFWSA-N 2 0 285.407 1.315 10 0 CDAERP CC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]1[NH2+]C(C)C ZINC001401886928 975973831 /nfs/dbraw/zinc/97/38/31/975973831.db2.gz YVHRWKDWXQPBPZ-CABCVRRESA-N 2 0 283.460 1.952 10 0 CDAERP CC(C)C[N@H+](C)C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001398469862 976000815 /nfs/dbraw/zinc/00/08/15/976000815.db2.gz HJXALXLLTQCPHO-OAHLLOKOSA-N 2 0 283.460 1.765 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001401924707 976013025 /nfs/dbraw/zinc/01/30/25/976013025.db2.gz NFZUCHQQCQHRCT-CABCVRRESA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)CC[N@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001379738747 976044783 /nfs/dbraw/zinc/04/47/83/976044783.db2.gz JBZQHBFZAWIWBY-CQSZACIVSA-N 2 0 283.460 1.811 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001401985115 976058493 /nfs/dbraw/zinc/05/84/93/976058493.db2.gz IWQXINGFUWRGFC-ZIAGYGMSSA-N 2 0 299.434 1.847 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001398615249 976076085 /nfs/dbraw/zinc/07/60/85/976076085.db2.gz AHRQWTJOPPVTKU-MELADBBJSA-N 2 0 299.434 1.846 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nocc2C)C1)[NH+](C)C ZINC001389997009 976079677 /nfs/dbraw/zinc/07/96/77/976079677.db2.gz AFYRHAIZQKHZSY-SCRDCRAPSA-N 2 0 294.399 1.060 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001390009840 976083993 /nfs/dbraw/zinc/08/39/93/976083993.db2.gz KHUKFTPIPXGNHB-OKILXGFUSA-N 2 0 279.428 1.365 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC001402037888 976093667 /nfs/dbraw/zinc/09/36/67/976093667.db2.gz WQOVXSMGROXAKW-UHFFFAOYSA-N 2 0 295.471 1.907 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCC[NH+](CCF)C2)C1 ZINC001390067306 976110256 /nfs/dbraw/zinc/11/02/56/976110256.db2.gz UGODPHHGZPANFG-KGLIPLIRSA-N 2 0 285.407 1.126 10 0 CDAERP CCC[N@H+](C)CCN(C(=O)[C@H](CC)[NH+](C)C)C(C)C ZINC001380027954 976196949 /nfs/dbraw/zinc/19/69/49/976196949.db2.gz FNNYKESMDAMZHT-AWEZNQCLSA-N 2 0 271.449 1.905 10 0 CDAERP C[C@H](F)CC[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001398957463 976267614 /nfs/dbraw/zinc/26/76/14/976267614.db2.gz UPGDLTGYJZKERC-RYUDHWBXSA-N 2 0 273.396 1.313 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[NH+](CCF)C2 ZINC001402417753 976275641 /nfs/dbraw/zinc/27/56/41/976275641.db2.gz TYEXFDSQHINTPM-ZNMIVQPWSA-N 2 0 299.434 1.657 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001402443418 976284596 /nfs/dbraw/zinc/28/45/96/976284596.db2.gz HKAPBMVHQKUNHP-SOUVJXGZSA-N 2 0 283.460 1.809 10 0 CDAERP C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]CC[C@H](C)F ZINC001399028027 976295279 /nfs/dbraw/zinc/29/52/79/976295279.db2.gz OTFADYTWVJFAKI-QWHCGFSZSA-N 2 0 289.439 1.807 10 0 CDAERP Cc1ncoc1C[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001390512451 976346349 /nfs/dbraw/zinc/34/63/49/976346349.db2.gz WHMIWWXVCZIINX-RISCZKNCSA-N 2 0 296.415 1.164 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)CCCF ZINC001406717110 976380746 /nfs/dbraw/zinc/38/07/46/976380746.db2.gz HMSRWWWSNTXKEX-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001390596151 976383869 /nfs/dbraw/zinc/38/38/69/976383869.db2.gz PACPNGLTJNHOOP-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP CCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001390624425 976396662 /nfs/dbraw/zinc/39/66/62/976396662.db2.gz MGEIDRBFJSXOKO-GJZGRUSLSA-N 2 0 281.444 1.804 10 0 CDAERP CC[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccccn1)[NH+](C)C ZINC001399421380 976476112 /nfs/dbraw/zinc/47/61/12/976476112.db2.gz YRZZWZKJVQDCNT-UKRRQHHQSA-N 2 0 292.427 1.406 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CCC(C)([NH2+]CCF)CC2)C1 ZINC001402789149 976481954 /nfs/dbraw/zinc/48/19/54/976481954.db2.gz RTPHDUKDNWNINE-ZDUSSCGKSA-N 2 0 285.407 1.268 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC[C@H](C)F)CC1 ZINC001406928616 976484319 /nfs/dbraw/zinc/48/43/19/976484319.db2.gz ZLDHWLVYSDZHOW-KBPBESRZSA-N 2 0 299.434 1.847 10 0 CDAERP CC(C)CC[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001380704170 976524947 /nfs/dbraw/zinc/52/49/47/976524947.db2.gz LWCJKFHXVKAUMY-GASCZTMLSA-N 2 0 281.444 1.374 10 0 CDAERP CC1CCC(C[N@H+](C)CCNC(=O)Cn2ccnc2)CC1 ZINC001399652664 976622844 /nfs/dbraw/zinc/62/28/44/976622844.db2.gz APUMBLXMAKRNKM-UHFFFAOYSA-N 2 0 292.427 1.757 10 0 CDAERP CC(C)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001403131326 976747080 /nfs/dbraw/zinc/74/70/80/976747080.db2.gz VFKXAVRDZNRUSZ-UKRRQHHQSA-N 2 0 281.444 1.421 10 0 CDAERP O=C(NCC1([NH2+]CCF)CCC1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001407783969 976767824 /nfs/dbraw/zinc/76/78/24/976767824.db2.gz IKYVNOLLDRCFMB-ZIAGYGMSSA-N 2 0 297.418 1.601 10 0 CDAERP Cc1cncc(C[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C(C)C)c1 ZINC001403167765 976779043 /nfs/dbraw/zinc/77/90/43/976779043.db2.gz OBKYFUWXAQNYBA-AWEZNQCLSA-N 2 0 292.427 1.325 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC[C@@H](C)F)C1 ZINC001403217423 976822641 /nfs/dbraw/zinc/82/26/41/976822641.db2.gz QYBYNQOTRZUJEX-OLZOCXBDSA-N 2 0 273.396 1.265 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@H](C)C1C[NH+](CC)C1 ZINC001403303506 976866637 /nfs/dbraw/zinc/86/66/37/976866637.db2.gz NEFWVLIBHKLXCU-YPMHNXCESA-N 2 0 273.396 1.123 10 0 CDAERP COC[C@H](C)[N@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001403316341 976876115 /nfs/dbraw/zinc/87/61/15/976876115.db2.gz BBAUZVOXDLFDFY-GJZGRUSLSA-N 2 0 297.443 1.040 10 0 CDAERP CC[C@@H](F)C[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001400226160 976937399 /nfs/dbraw/zinc/93/73/99/976937399.db2.gz FQCRRHZAUYRTFI-UONOGXRCSA-N 2 0 287.423 1.467 10 0 CDAERP CC(C)C[NH2+][C@H](C)[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CCO1 ZINC001403425672 976945566 /nfs/dbraw/zinc/94/55/66/976945566.db2.gz UMVPZVSAFLEYFH-CABCVRRESA-N 2 0 299.459 1.188 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCC2CC2)C1 ZINC001391563946 976959564 /nfs/dbraw/zinc/95/95/64/976959564.db2.gz BWTFAXFDAZDODQ-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C[NH2+]C(C)C)C2CC2)CC[N@@H+]1C ZINC001403505057 976999541 /nfs/dbraw/zinc/99/95/41/976999541.db2.gz VHCKNKMNYHXRQB-ARFHVFGLSA-N 2 0 295.471 1.952 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]C[C@H]1CCCCO1 ZINC001403630154 977114246 /nfs/dbraw/zinc/11/42/46/977114246.db2.gz WIJVIQQEDBBYJV-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP C[C@@H]1C[C@@H](C[N@H+](C)CCNC(=O)CCC[NH+](C)C)CCO1 ZINC001403672427 977136923 /nfs/dbraw/zinc/13/69/23/977136923.db2.gz OXRVUXXGSKLOCP-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC[C@@H](C)F)C1 ZINC001400678992 977136954 /nfs/dbraw/zinc/13/69/54/977136954.db2.gz TZLDVIDGKAGQKK-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]C[C@@H](C)OC)C(C)(C)C1 ZINC001403831838 977220992 /nfs/dbraw/zinc/22/09/92/977220992.db2.gz TVYNUACJINTBED-KGLIPLIRSA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]Cc1cncs1 ZINC001400932054 977248071 /nfs/dbraw/zinc/24/80/71/977248071.db2.gz ZTTWBSSYTKPEOX-LBPRGKRZSA-N 2 0 298.456 1.468 10 0 CDAERP CC[N@H+](C)C[C@H](O)CN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001403921344 977262625 /nfs/dbraw/zinc/26/26/25/977262625.db2.gz VQSFUZVMLKJHNO-HNNXBMFYSA-N 2 0 299.459 1.024 10 0 CDAERP CC(C)[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CC1CC1 ZINC001392215407 977265582 /nfs/dbraw/zinc/26/55/82/977265582.db2.gz CFSUZFNSLOJGCD-JKSUJKDBSA-N 2 0 293.455 1.469 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)C(C)(C)C ZINC001382526958 977301729 /nfs/dbraw/zinc/30/17/29/977301729.db2.gz ZHLQGWIOAOHCMS-CHWSQXEVSA-N 2 0 289.439 1.807 10 0 CDAERP C[C@@H]1[C@H](C(=O)N(C)C2CC([NH2+]C/C=C/Cl)C2)CC[N@@H+]1C ZINC001382575417 977311330 /nfs/dbraw/zinc/31/13/30/977311330.db2.gz NLFRUHNWIWOADT-LWSGTAGZSA-N 2 0 299.846 1.658 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH+](C)CC[C@H]1CCCO1 ZINC001392338301 977415661 /nfs/dbraw/zinc/41/56/61/977415661.db2.gz UDZWWNSNCOBHSJ-OAHLLOKOSA-N 2 0 299.459 1.286 10 0 CDAERP O=C(C[NH+]1CCCC1)NCC1([NH2+]CCC2CCCC2)CC1 ZINC001392957007 977662585 /nfs/dbraw/zinc/66/25/85/977662585.db2.gz NQYWCVMAVPTZLF-UHFFFAOYSA-N 2 0 293.455 1.901 10 0 CDAERP CC(C)[N@@H+]1CCC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001392985198 977666983 /nfs/dbraw/zinc/66/69/83/977666983.db2.gz BPRLOOOHFCMXRC-INIZCTEOSA-N 2 0 281.444 1.661 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CCC(C)(C)C ZINC001394103019 978067239 /nfs/dbraw/zinc/06/72/39/978067239.db2.gz NYIUACIUMZZVCZ-CYBMUJFWSA-N 2 0 271.449 1.811 10 0 CDAERP CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1cncs1)[NH+](C)C ZINC001394526458 978192941 /nfs/dbraw/zinc/19/29/41/978192941.db2.gz HCUNAKUTFADHBC-YPMHNXCESA-N 2 0 298.456 1.420 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]C/C=C\Cl)CN1C(=O)CC[NH+](C)C ZINC001394673847 978228858 /nfs/dbraw/zinc/22/88/58/978228858.db2.gz SQRUUJNGMPIINS-CZVUKNJHSA-N 2 0 273.808 1.270 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CC2CCC2)C(C)(C)C1 ZINC001394719310 978239434 /nfs/dbraw/zinc/23/94/34/978239434.db2.gz XBSGJQLISOXRDJ-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC001626178877 1163399215 /nfs/dbraw/zinc/39/92/15/1163399215.db2.gz MTWRRIWDQVWJBO-UONOGXRCSA-N 2 0 269.433 1.422 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCCF)[C@H]1C ZINC001676686982 1174255470 /nfs/dbraw/zinc/25/54/70/1174255470.db2.gz VPZHMOTZBRTPBN-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CCC1CC1 ZINC001570734142 1170260529 /nfs/dbraw/zinc/26/05/29/1170260529.db2.gz NTQZUDPMUUWXIF-GFCCVEGCSA-N 2 0 255.406 1.175 10 0 CDAERP CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001571094674 1170334158 /nfs/dbraw/zinc/33/41/58/1170334158.db2.gz DSTPVJKTPYFOQV-IHRRRGAJSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001571152685 1170341374 /nfs/dbraw/zinc/34/13/74/1170341374.db2.gz PQPOCOWCKQOLOD-KOMQPUFPSA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001571485726 1170450932 /nfs/dbraw/zinc/45/09/32/1170450932.db2.gz VIKKDNHHHZTUPV-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1C ZINC001656960039 1171905033 /nfs/dbraw/zinc/90/50/33/1171905033.db2.gz FTZRZFDNGVNHRC-OLZOCXBDSA-N 2 0 267.417 1.460 10 0 CDAERP CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@H]2CCC[N@H+](C)C2)C1 ZINC000601270434 342547736 /nfs/dbraw/zinc/54/77/36/342547736.db2.gz RKMOTKXIKOOGAH-UONOGXRCSA-N 2 0 282.432 1.253 10 0 CDAERP [NH3+]CC1(CC[NH2+]C2CCN(CC(F)(F)F)CC2)CC1 ZINC000650712962 398155824 /nfs/dbraw/zinc/15/58/24/398155824.db2.gz ACNPSYNOHADFGD-UHFFFAOYSA-N 2 0 279.350 1.732 10 0 CDAERP CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650745620 398173012 /nfs/dbraw/zinc/17/30/12/398173012.db2.gz KQAYXIMPFBOIBL-RYUDHWBXSA-N 2 0 274.430 1.061 10 0 CDAERP COC[C@@H]([NH2+]CCC1(C[NH3+])CC1)C1CCOCC1 ZINC000650746856 398173660 /nfs/dbraw/zinc/17/36/60/398173660.db2.gz MKGNZTDPGIRHDJ-CYBMUJFWSA-N 2 0 256.390 1.147 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CNc2ccccc2C1 ZINC000650747675 398175048 /nfs/dbraw/zinc/17/50/48/398175048.db2.gz FLXHUPXVOQSGMJ-ZIAGYGMSSA-N 2 0 263.385 1.367 10 0 CDAERP CCOC(=O)c1ncc(CN2CC[C@H](C)[C@H](C[NH3+])C2)s1 ZINC000601326270 342553855 /nfs/dbraw/zinc/55/38/55/342553855.db2.gz SSCGWTXAYZPXKT-WDEREUQCSA-N 2 0 297.424 1.737 10 0 CDAERP COC(=O)CC1(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)CC1 ZINC000601333178 342554859 /nfs/dbraw/zinc/55/48/59/342554859.db2.gz BVOAJQMKDBLXEV-QWHCGFSZSA-N 2 0 266.385 1.404 10 0 CDAERP C[N@@H+]1CCC[C@H]2C[NH+](CCOC3CCOCC3)CC[C@@H]21 ZINC000625221850 342043122 /nfs/dbraw/zinc/04/31/22/342043122.db2.gz CODUTYLDMGVOFF-HOCLYGCPSA-N 2 0 282.428 1.598 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000094647892 342063957 /nfs/dbraw/zinc/06/39/57/342063957.db2.gz IXXBSOLMWUWJJI-TZMCWYRMSA-N 2 0 267.417 1.223 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCOC[C@@H]2CCCO2)[C@H](C)C1 ZINC000533395183 282117836 /nfs/dbraw/zinc/11/78/36/282117836.db2.gz XBKILQBYBOZVLY-PMPSAXMXSA-N 2 0 284.444 1.844 10 0 CDAERP [NH3+]CCN1CC[NH2+]C[C@@H]1c1ccc2ccccc2n1 ZINC000616636111 342121248 /nfs/dbraw/zinc/12/12/48/342121248.db2.gz KHRUNJMKWTUQIK-OAHLLOKOSA-N 2 0 256.353 1.140 10 0 CDAERP C[NH2+][C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379679697 342140443 /nfs/dbraw/zinc/14/04/43/342140443.db2.gz JTJAGSVQSDBUFN-FMKPAKJESA-N 2 0 289.423 1.764 10 0 CDAERP NC(=[NH2+])c1cccc(COc2cccc(C(N)=[NH2+])c2)c1 ZINC000096910504 185129501 /nfs/dbraw/zinc/12/95/01/185129501.db2.gz GTNKWTDFCSUTHM-UHFFFAOYSA-N 2 0 268.320 1.834 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)NCC[NH+]1CCCC[C@H]1C ZINC000339784414 361966436 /nfs/dbraw/zinc/96/64/36/361966436.db2.gz FXNUYMOGQWORPJ-HUUCEWRRSA-N 2 0 298.475 1.890 10 0 CDAERP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000333619153 539053289 /nfs/dbraw/zinc/05/32/89/539053289.db2.gz RKGNMFKXQKDWDU-OIYCOIKZSA-N 2 0 294.443 1.441 10 0 CDAERP CCOC(=O)[C@@H](CC)[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000600753319 342248256 /nfs/dbraw/zinc/24/82/56/342248256.db2.gz BEZXTVBEYFEXRO-LSDHHAIUSA-N 2 0 298.427 1.419 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)C2CC[NH+](C3CC3)CC2)CC[N@@H+]1C ZINC000192596750 539156889 /nfs/dbraw/zinc/15/68/89/539156889.db2.gz DOQZUFHPUQLMNM-CJNGLKHVSA-N 2 0 293.455 1.802 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCCCC(=O)OC)[C@H](C)C1 ZINC000599332183 344021305 /nfs/dbraw/zinc/02/13/05/344021305.db2.gz MHSAQWDZXWTLGO-KGLIPLIRSA-N 2 0 270.417 1.992 10 0 CDAERP C[C@@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000076114571 342319047 /nfs/dbraw/zinc/31/90/47/342319047.db2.gz BMBFAWYTXUCLTM-GFCCVEGCSA-N 2 0 265.401 1.214 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H](C)Oc1cccc(F)c1 ZINC000422785947 536850140 /nfs/dbraw/zinc/85/01/40/536850140.db2.gz KGZPZCDQSJOPFN-JSGCOSHPSA-N 2 0 284.375 1.937 10 0 CDAERP CC(C)[C@H](C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)[C@@H](C)[NH3+] ZINC000645108355 362122059 /nfs/dbraw/zinc/12/20/59/362122059.db2.gz XJAWALBRAJZCLI-QPSCCSFWSA-N 2 0 281.444 1.596 10 0 CDAERP CC(C)OC(=O)CCN1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595905647 343188365 /nfs/dbraw/zinc/18/83/65/343188365.db2.gz FFNVVUDYSOUSNL-AWEZNQCLSA-N 2 0 286.416 1.371 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)C[C@@H]1C ZINC000596110767 343229710 /nfs/dbraw/zinc/22/97/10/343229710.db2.gz UHDADPLMMSAMKL-FQMXKAEGSA-N 2 0 280.412 1.696 10 0 CDAERP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CC1([NH3+])CCOCC1 ZINC000629518667 362137218 /nfs/dbraw/zinc/13/72/18/362137218.db2.gz ATPLHLFPHTXHAJ-DZGCQCFKSA-N 2 0 278.396 1.860 10 0 CDAERP CCO[C@H](C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)C1CC1 ZINC000629519896 362138816 /nfs/dbraw/zinc/13/88/16/362138816.db2.gz SAHACBNJBWYBCX-LJISPDSOSA-N 2 0 252.402 1.861 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000629530566 362159008 /nfs/dbraw/zinc/15/90/08/362159008.db2.gz JXQBVRCHRUWGRU-MRXNPFEDSA-N 2 0 262.397 1.760 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](C)c1ccncc1 ZINC000629532251 362164204 /nfs/dbraw/zinc/16/42/04/362164204.db2.gz SJOSDMLACLCHBR-OCCSQVGLSA-N 2 0 251.374 1.529 10 0 CDAERP C[C@H]([NH3+])c1ccc(CN2CC[NH+](C)CC2)c(F)c1 ZINC000142067085 342448087 /nfs/dbraw/zinc/44/80/87/342448087.db2.gz RQGLGINXFAKZFB-NSHDSACASA-N 2 0 251.349 1.593 10 0 CDAERP CN(CC(C)(C)C[NH3+])C(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000417810472 529845418 /nfs/dbraw/zinc/84/54/18/529845418.db2.gz ILAGURGUWWWHOC-LLVKDONJSA-N 2 0 255.406 1.208 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000598995465 343936210 /nfs/dbraw/zinc/93/62/10/343936210.db2.gz YCZCWUCSQFYZEH-AAVRWANBSA-N 2 0 268.401 1.506 10 0 CDAERP O=C(C[C@@H]1CCC[NH2+]C1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000250826791 344050719 /nfs/dbraw/zinc/05/07/19/344050719.db2.gz HRZHAKFRZQFNTL-MELADBBJSA-N 2 0 265.401 1.119 10 0 CDAERP CC(C)[C@H](C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[NH+](C)C ZINC000600092556 344175833 /nfs/dbraw/zinc/17/58/33/344175833.db2.gz LEGWRPOSQIUFRQ-CQSZACIVSA-N 2 0 287.367 1.792 10 0 CDAERP O[C@@H]1CC[C@H]2C[N@H+](CCC[NH+]3CCCCC3)C[C@H]2C1 ZINC000412038301 362360784 /nfs/dbraw/zinc/36/07/84/362360784.db2.gz HFXRFALNDNKBIZ-ARFHVFGLSA-N 2 0 266.429 1.955 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000571321487 362375657 /nfs/dbraw/zinc/37/56/57/362375657.db2.gz KNNRUBMZCZANJW-ZNMIVQPWSA-N 2 0 279.428 1.604 10 0 CDAERP C[N@@H+]1CCC[C@H](CNC(=O)c2cc(-n3ccnc3)ccn2)C1 ZINC000536653207 282337293 /nfs/dbraw/zinc/33/72/93/282337293.db2.gz BGSUMPKXHSLHRK-CYBMUJFWSA-N 2 0 299.378 1.339 10 0 CDAERP C[NH2+]C[C@H]1CCCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)C1 ZINC000418406424 290719960 /nfs/dbraw/zinc/71/99/60/290719960.db2.gz CFICLCCLWPMBOC-UKRRQHHQSA-N 2 0 290.411 1.327 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@H]([NH3+])CCSC)CC1 ZINC000602603902 344489864 /nfs/dbraw/zinc/48/98/64/344489864.db2.gz VXFDMOVEMVASHH-GFCCVEGCSA-N 2 0 287.473 1.400 10 0 CDAERP Cc1cc(Cl)cc(C)c1C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000263252614 362396888 /nfs/dbraw/zinc/39/68/88/362396888.db2.gz QBQHNZKBDNBCMU-SMDDNHRTSA-N 2 0 268.788 1.627 10 0 CDAERP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000262668815 344696843 /nfs/dbraw/zinc/69/68/43/344696843.db2.gz LZZUUYXTBRTKGF-KKUMJFAQSA-N 2 0 281.444 1.837 10 0 CDAERP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000263283079 344698530 /nfs/dbraw/zinc/69/85/30/344698530.db2.gz SQMDADBHARKXLC-AICCOOGYSA-N 2 0 281.444 1.596 10 0 CDAERP C[C@@H](C(=O)N1CCC[C@H]1C[NH+](C)C)[NH+]1CCCCCC1 ZINC000362511903 295731375 /nfs/dbraw/zinc/73/13/75/295731375.db2.gz IIWBBXXXAVVBBT-GJZGRUSLSA-N 2 0 281.444 1.804 10 0 CDAERP C[C@@H](C(=O)N[C@H]1CCC[N@H+](C)C1)[NH+]1CCCCCC1 ZINC000608356855 345734555 /nfs/dbraw/zinc/73/45/55/345734555.db2.gz WYXIBCPKTKRHRF-KBPBESRZSA-N 2 0 267.417 1.461 10 0 CDAERP CCN(C(=O)[C@@H]1CCn2c(C)ncc2C1)[C@H]1CC[N@H+](C)C1 ZINC000617550509 345842027 /nfs/dbraw/zinc/84/20/27/345842027.db2.gz VVXZYIBBOFZPJC-KGLIPLIRSA-N 2 0 290.411 1.307 10 0 CDAERP CC(C)COC[C@H](O)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623373907 346108962 /nfs/dbraw/zinc/10/89/62/346108962.db2.gz PPJUGBDJEHLCRG-UONOGXRCSA-N 2 0 272.433 1.482 10 0 CDAERP C[C@@H](C[C@@](C)(O)C[NH3+])[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000085299990 179010582 /nfs/dbraw/zinc/01/05/82/179010582.db2.gz AKRZZWFVMXZBMD-CWRNSKLLSA-N 2 0 262.397 1.964 10 0 CDAERP CC(C)(C)[NH+]1CCC(NC(=O)[C@H]2CCC[C@H]2[NH3+])CC1 ZINC000085366320 179037056 /nfs/dbraw/zinc/03/70/56/179037056.db2.gz PTRWLWWFUGRGSB-QWHCGFSZSA-N 2 0 267.417 1.493 10 0 CDAERP CC(C)[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000085367768 179037392 /nfs/dbraw/zinc/03/73/92/179037392.db2.gz NLXBSXFQHMQWNF-CABCVRRESA-N 2 0 281.444 1.835 10 0 CDAERP C[NH+](C)CCN(C(=O)[C@@H]1CCC[C@H]1[NH3+])C1CCCC1 ZINC000085369388 179039161 /nfs/dbraw/zinc/03/91/61/179039161.db2.gz FMZRNTUAZVTQSO-ZIAGYGMSSA-N 2 0 267.417 1.447 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CCC[C@@H]1[NH3+])[NH+]1CCCCC1 ZINC000085369644 179039500 /nfs/dbraw/zinc/03/95/00/179039500.db2.gz CTVWGSGQVWAGMI-AVGNSLFASA-N 2 0 253.390 1.104 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCC[C@@H]1[NH3+])c1cccs1 ZINC000085370946 179041225 /nfs/dbraw/zinc/04/12/25/179041225.db2.gz PZLSRWPYULUYSU-AVGNSLFASA-N 2 0 295.452 1.985 10 0 CDAERP CCN(C)C(=O)C[N@@H+]1CCCCC[C@H]1C1CC[NH2+]CC1 ZINC000085403512 179053097 /nfs/dbraw/zinc/05/30/97/179053097.db2.gz GXGWCCJQCQACJR-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP Cc1nccn1CCN1C[C@@H](C(C)C)[NH2+]CC1(C)C ZINC000085467537 179072732 /nfs/dbraw/zinc/07/27/32/179072732.db2.gz QOLGENJTIXGOIF-AWEZNQCLSA-N 2 0 264.417 1.900 10 0 CDAERP C[N@@H+]1CC[C@@H](Cn2c3c(nc2C2CC2)C[NH2+]CC3)C1 ZINC000085570444 179096378 /nfs/dbraw/zinc/09/63/78/179096378.db2.gz QHUWMRQRHFWKPU-LLVKDONJSA-N 2 0 260.385 1.358 10 0 CDAERP C1CC1c1nc2c(n1[C@@H]1CC[N@@H+]3CCC[C@@H]13)CC[NH2+]C2 ZINC000085573093 179098135 /nfs/dbraw/zinc/09/81/35/179098135.db2.gz MUCOISNNSFHSON-LSDHHAIUSA-N 2 0 272.396 1.815 10 0 CDAERP c1csc(CC[NH2+]CC[C@@H]2CSCC[NH2+]2)n1 ZINC000085616331 179104176 /nfs/dbraw/zinc/10/41/76/179104176.db2.gz RKLGFSDMKMYTPZ-SNVBAGLBSA-N 2 0 257.428 1.370 10 0 CDAERP CC(C)[NH2+]CCC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000227411845 346528491 /nfs/dbraw/zinc/52/84/91/346528491.db2.gz LFWWZEFDLCIFIK-KBPBESRZSA-N 2 0 267.417 1.460 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3c[nH]nc3C2)CC1(C)C ZINC000623446629 346762014 /nfs/dbraw/zinc/76/20/14/346762014.db2.gz LFTVOJALZBSVMC-STQMWFEESA-N 2 0 262.401 1.729 10 0 CDAERP CC[C@H](C1CC1)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000086121459 179235654 /nfs/dbraw/zinc/23/56/54/179235654.db2.gz BAKTVTZRAKTYMW-ZIAGYGMSSA-N 2 0 265.401 1.071 10 0 CDAERP CC[C@H]1C[NH2+][C@H](C2CC2)CN1[C@@H]1CCC[N@H+](CC)C1 ZINC000086225407 179253714 /nfs/dbraw/zinc/25/37/14/179253714.db2.gz QPMNDYOUNFXHKG-XHSDSOJGSA-N 2 0 265.445 1.933 10 0 CDAERP CC[C@@H]1CN(C[C@@H]2CCC[N@H+](C)C2)[C@@H](CC)C[NH2+]1 ZINC000086259266 179257716 /nfs/dbraw/zinc/25/77/16/179257716.db2.gz XITMCZCRJKXDEM-KFWWJZLASA-N 2 0 253.434 1.791 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)CC1(C)C ZINC000623552727 347628734 /nfs/dbraw/zinc/62/87/34/347628734.db2.gz SLKGSJQRCYXGQA-MGPQQGTHSA-N 2 0 281.444 1.741 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000623584951 347647074 /nfs/dbraw/zinc/64/70/74/347647074.db2.gz YJESVLDDRAMKRY-KKUMJFAQSA-N 2 0 296.459 1.643 10 0 CDAERP C[C@H](O)CC[N@H+](C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000450776300 362904136 /nfs/dbraw/zinc/90/41/36/362904136.db2.gz HKCBLBVXIZYLLW-RDJZCZTQSA-N 2 0 292.423 1.326 10 0 CDAERP COc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000111265309 349223977 /nfs/dbraw/zinc/22/39/77/349223977.db2.gz FYVGQZFZJMREBJ-DGCLKSJQSA-N 2 0 291.395 1.551 10 0 CDAERP CC[C@H]1CCCC[C@H]1[NH+]1CCN(CCC[NH3+])CC1 ZINC000104412386 185992944 /nfs/dbraw/zinc/99/29/44/185992944.db2.gz FVZAEYXVJCNLQE-LSDHHAIUSA-N 2 0 253.434 1.922 10 0 CDAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCOCCC[NH3+] ZINC000629541140 362964829 /nfs/dbraw/zinc/96/48/29/362964829.db2.gz WPOJXLIGIXUIHD-KGLIPLIRSA-N 3 0 257.422 1.252 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+]C[C@@]2(C)CCCS2)CC1 ZINC000628232984 362962852 /nfs/dbraw/zinc/96/28/52/362962852.db2.gz XPDHAMZHMDLENZ-OAHLLOKOSA-N 2 0 285.501 1.889 10 0 CDAERP CCn1nccc1CC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000621776689 350773012 /nfs/dbraw/zinc/77/30/12/350773012.db2.gz SSUJINBBPNMVMS-GOEBONIOSA-N 2 0 276.428 1.910 10 0 CDAERP O=C1[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCN1C1CCC1 ZINC000629556763 362986738 /nfs/dbraw/zinc/98/67/38/362986738.db2.gz YKNGQEJVSIGWAW-QVHKTLOISA-N 2 0 277.412 1.118 10 0 CDAERP OCC1(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CCCC1 ZINC000622043617 350948828 /nfs/dbraw/zinc/94/88/28/350948828.db2.gz FTLDTEMFDKGQEW-RBSFLKMASA-N 2 0 282.428 1.286 10 0 CDAERP C[C@H](CCNC(=O)CC[C@@H]1CCCC[N@@H+]1C)[NH+](C)C ZINC000622143652 351034498 /nfs/dbraw/zinc/03/44/98/351034498.db2.gz DHLSHHVBDLGHSY-KGLIPLIRSA-N 2 0 269.433 1.707 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1ccccc1N(C)C ZINC000629570731 363017406 /nfs/dbraw/zinc/01/74/06/363017406.db2.gz LXRBORYGPVGQIU-UHFFFAOYSA-N 2 0 265.401 1.420 10 0 CDAERP Cc1n[nH]cc1C[N@H+](C)C[C@@H]1CCc2nccn2C1 ZINC000328636470 351310007 /nfs/dbraw/zinc/31/00/07/351310007.db2.gz OANGIRJJIDAYNL-LBPRGKRZSA-N 2 0 259.357 1.609 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000569739821 363020157 /nfs/dbraw/zinc/02/01/57/363020157.db2.gz JVUOYUXSDMNGAH-ILXRZTDVSA-N 2 0 279.428 1.271 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)CCCc1cccc(F)c1 ZINC000629571620 363024881 /nfs/dbraw/zinc/02/48/81/363024881.db2.gz YUTKMCDDYDFPJL-UHFFFAOYSA-N 2 0 268.376 1.926 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1cccc(NC(C)=O)c1 ZINC000629571535 363025223 /nfs/dbraw/zinc/02/52/23/363025223.db2.gz NQTRNZYVIQUIGN-UHFFFAOYSA-N 2 0 279.384 1.313 10 0 CDAERP C[N@H+](CCCc1c(F)cccc1F)CCOCC[NH3+] ZINC000629581358 363042900 /nfs/dbraw/zinc/04/29/00/363042900.db2.gz XUTJXEVHYBHCGP-UHFFFAOYSA-N 2 0 272.339 1.805 10 0 CDAERP O[C@H](C[NH2+][C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12)C[NH+]1CCCC1 ZINC000629585214 363051817 /nfs/dbraw/zinc/05/18/17/363051817.db2.gz NJWKWMFFMGALBB-XLNGHYISSA-N 2 0 290.382 1.510 10 0 CDAERP O[C@@H](C[NH2+]CC[C@@H]1CC=CCC1)C[NH+]1CCCC1 ZINC000629597537 363133762 /nfs/dbraw/zinc/13/37/62/363133762.db2.gz MFKSGGWLQYOPHF-CABCVRRESA-N 2 0 252.402 1.779 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1ccc(N(C)C(C)C)nc1 ZINC000629652689 363251599 /nfs/dbraw/zinc/25/15/99/363251599.db2.gz CKEWCOPUXNQIRX-UHFFFAOYSA-N 2 0 294.443 1.594 10 0 CDAERP Cc1ccc2cc(C[NH2+]CCOCCC[NH3+])ccc2n1 ZINC000629677861 363327413 /nfs/dbraw/zinc/32/74/13/363327413.db2.gz HZPUZMOFPRFIFU-UHFFFAOYSA-N 2 0 273.380 1.998 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+][C@H]1Cc2ccccc2N(C)C1=O ZINC000665237059 412607642 /nfs/dbraw/zinc/60/76/42/412607642.db2.gz ZFWCIJPBVJWWEG-OCCSQVGLSA-N 2 0 275.396 1.681 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000634765540 358498893 /nfs/dbraw/zinc/49/88/93/358498893.db2.gz VQIUNYDJQRRMJN-LZWOXQAQSA-N 2 0 279.428 1.319 10 0 CDAERP CC1(C)C[NH2+]CC[C@H](NC(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000634764500 358499811 /nfs/dbraw/zinc/49/98/11/358499811.db2.gz USIITBXBPTYRSO-ZDUSSCGKSA-N 2 0 279.428 1.556 10 0 CDAERP C[NH+]1CCN(CCC[NH2+]C[C@]2(C)CCCS2)CC1 ZINC000385549277 356245469 /nfs/dbraw/zinc/24/54/69/356245469.db2.gz WOGBCCMIGRATBQ-AWEZNQCLSA-N 2 0 271.474 1.499 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000037001264 356308963 /nfs/dbraw/zinc/30/89/63/356308963.db2.gz GLQBVKRBVNZRMO-FZKCQIBNSA-N 2 0 295.471 2.000 10 0 CDAERP C[N@@H+]1CC[C@]2(CCN(C(=O)CC[C@@H]3CCCC[NH+]3C)C2)C1 ZINC000334634365 283165920 /nfs/dbraw/zinc/16/59/20/283165920.db2.gz MOCIRKCUUUZIJO-RDJZCZTQSA-N 2 0 293.455 1.805 10 0 CDAERP [NH3+]C1(C(=O)N2CCC(C[NH+]3CCCC3)CC2)CCCCC1 ZINC000037826160 356543169 /nfs/dbraw/zinc/54/31/69/356543169.db2.gz QSADXCYKASGSQF-UHFFFAOYSA-N 2 0 293.455 1.982 10 0 CDAERP CC1([NH+]2CCOCC2)CCC(N2CCC[C@@H]([NH3+])C2)CC1 ZINC000725262987 538455132 /nfs/dbraw/zinc/45/51/32/538455132.db2.gz ZNQBJAGGYYSUIQ-QQFBHYJXSA-N 2 0 281.444 1.443 10 0 CDAERP COC(=O)C1CC[NH+](C2CCC3(C[C@@H]3[NH3+])CC2)CC1 ZINC000725270448 538461266 /nfs/dbraw/zinc/46/12/66/538461266.db2.gz NBBMHQJJMCGKGE-OWYJLGKBSA-N 2 0 266.385 1.531 10 0 CDAERP COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414759816 366324158 /nfs/dbraw/zinc/32/41/58/366324158.db2.gz XIQWPDHKSUMGRP-AHDPXTMNSA-N 2 0 280.412 1.648 10 0 CDAERP C[C@@H]1C[C@@H](C[N@@H+]2CCc3cc[nH]c(=O)c3C2)CC[NH2+]1 ZINC000414759744 366320802 /nfs/dbraw/zinc/32/08/02/366320802.db2.gz PBUNZZZDPBTMPT-NEPJUHHUSA-N 2 0 261.369 1.533 10 0 CDAERP Cn1nc(C[NH2+]CC2CC[NH2+]CC2)c(-c2ccccc2)n1 ZINC000057353464 357355891 /nfs/dbraw/zinc/35/58/91/357355891.db2.gz ZQLGCPWEWSGKFY-UHFFFAOYSA-N 2 0 285.395 1.571 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCN2CCCC2=O)[C@@H]2CCC[C@H]21 ZINC000367626270 357478959 /nfs/dbraw/zinc/47/89/59/357478959.db2.gz NSXGXAJRULKWHV-SOUVJXGZSA-N 2 0 279.428 1.461 10 0 CDAERP C[NH2+]C[C@@H](C)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000092134911 357726842 /nfs/dbraw/zinc/72/68/42/357726842.db2.gz PFJJJUKZVGHFLG-CYBMUJFWSA-N 2 0 267.417 1.176 10 0 CDAERP CC[C@@H](C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[NH+](CC)CC ZINC000634744976 358195424 /nfs/dbraw/zinc/19/54/24/358195424.db2.gz RHPMFFOSUPAYSL-CWRNSKLLSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@H]1[NH2+]CC[C@H]1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000572599584 358541470 /nfs/dbraw/zinc/54/14/70/358541470.db2.gz DPEAVRKCFDAKDH-BLYZHGLHSA-N 2 0 267.417 1.221 10 0 CDAERP COC1CCC([NH2+]C[C@@H]2CCCCN2CCO)CC1 ZINC000449396397 358542217 /nfs/dbraw/zinc/54/22/17/358542217.db2.gz RTXHHERHGMDRIR-SLTAFYQDSA-N 2 0 270.417 1.380 10 0 CDAERP COc1c(C[NH+]2CCC(n3ccnc3)CC2)c(C)nn1C ZINC000092648741 358558678 /nfs/dbraw/zinc/55/86/78/358558678.db2.gz LITJXJLXUKHSGO-UHFFFAOYSA-N 2 0 289.383 1.771 10 0 CDAERP C[NH+](C)C1(CNC(=O)C[C@@H]2CCC[NH2+]C2)CCCCC1 ZINC000054308640 358712216 /nfs/dbraw/zinc/71/22/16/358712216.db2.gz JZGCKLKNOQLZKW-AWEZNQCLSA-N 2 0 281.444 1.757 10 0 CDAERP Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(C)(C)[NH3+] ZINC000261884351 359076894 /nfs/dbraw/zinc/07/68/94/359076894.db2.gz WTMSLHXOJQNJST-YHWZYXNKSA-N 2 0 262.401 1.868 10 0 CDAERP [NH3+][C@@H](C(=O)NCCC[NH+]1CCCCCC1)C1CCOCC1 ZINC000261887443 359078346 /nfs/dbraw/zinc/07/83/46/359078346.db2.gz VEGYIINFTNQGKI-OAHLLOKOSA-N 2 0 297.443 1.123 10 0 CDAERP COC(=O)CC[N@H+](CC(C)C)C[C@]1(C)CC[NH2+]C1 ZINC000261916483 359088540 /nfs/dbraw/zinc/08/85/40/359088540.db2.gz ZOOMEIVDBJCRBA-CQSZACIVSA-N 2 0 256.390 1.507 10 0 CDAERP Cc1nc[nH]c1CNC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000335249939 359111090 /nfs/dbraw/zinc/11/10/90/359111090.db2.gz NEMZQZAQKNUMJB-NWDGAFQWSA-N 2 0 264.373 1.632 10 0 CDAERP C[C@@]1(C[N@@H+]2CCSC3(CCOCC3)C2)CC[NH2+]C1 ZINC000261980311 359113191 /nfs/dbraw/zinc/11/31/91/359113191.db2.gz JBXFXPOBGAFXGA-CYBMUJFWSA-N 2 0 270.442 1.584 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCC[NH2+]2)[C@H](C)C1 ZINC000637001028 359113626 /nfs/dbraw/zinc/11/36/26/359113626.db2.gz FSTALQXJXIMZTR-ILXRZTDVSA-N 2 0 296.459 1.500 10 0 CDAERP C[C@]1(CN2CC[C@H](C[NH+]3CCCCC3)C2)CC[NH2+]C1 ZINC000261991569 359117041 /nfs/dbraw/zinc/11/70/41/359117041.db2.gz KGXALFPGVXEFLL-CVEARBPZSA-N 2 0 265.445 1.794 10 0 CDAERP C[N@H+](C[C@@]1(C)CC[NH2+]C1)[C@H]1CCCN(c2cccnn2)C1 ZINC000262013580 359122727 /nfs/dbraw/zinc/12/27/27/359122727.db2.gz MMMNQQGOZMUHGS-HOCLYGCPSA-N 2 0 289.427 1.377 10 0 CDAERP CCC[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CC)C1)[NH+](C)C ZINC000162349758 359144503 /nfs/dbraw/zinc/14/45/03/359144503.db2.gz UDGSSMTWIGODMN-UONOGXRCSA-N 2 0 269.433 1.517 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H]1NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262249581 359147428 /nfs/dbraw/zinc/14/74/28/359147428.db2.gz SKWZSIUNFPHBDP-QVHKTLOISA-N 2 0 265.401 1.010 10 0 CDAERP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262305842 359153361 /nfs/dbraw/zinc/15/33/61/359153361.db2.gz CFMFBLRVKUXBNO-QSJFSLAZSA-N 2 0 291.439 1.509 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000262902877 359197120 /nfs/dbraw/zinc/19/71/20/359197120.db2.gz DTGMCTONEMFKNF-YCPHGPKFSA-N 2 0 281.444 1.885 10 0 CDAERP [NH3+]CCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423181675 283433707 /nfs/dbraw/zinc/43/37/07/283433707.db2.gz GJFOBBKERWBNFA-UKRRQHHQSA-N 3 0 261.369 1.181 10 0 CDAERP COC(=O)CCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917627 359459550 /nfs/dbraw/zinc/45/95/50/359459550.db2.gz BGMSZZIKFFIXFL-OLZOCXBDSA-N 2 0 254.374 1.404 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CCC[NH+]1C ZINC000422019272 359566892 /nfs/dbraw/zinc/56/68/92/359566892.db2.gz KFPJCYBUODGYAQ-ZIAGYGMSSA-N 2 0 267.417 1.413 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](C2CC2)C1 ZINC000347900242 359658234 /nfs/dbraw/zinc/65/82/34/359658234.db2.gz UAIKIKKDYVRUFY-GJZGRUSLSA-N 2 0 279.428 1.556 10 0 CDAERP C(CC[NH2+][C@@H](C1CC1)[C@H]1CNCCO1)CC[NH+]1CCCC1 ZINC000423131993 359752724 /nfs/dbraw/zinc/75/27/24/359752724.db2.gz IOHUYKXRDBCLMI-SJORKVTESA-N 2 0 295.471 1.609 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1cc(C)cc(OC)c1 ZINC000423005640 359735221 /nfs/dbraw/zinc/73/52/21/359735221.db2.gz SPVUCVHYPPYMFD-AWEZNQCLSA-N 2 0 266.385 1.847 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@H](COC)c1ccc(C)o1 ZINC000423009444 359738840 /nfs/dbraw/zinc/73/88/40/359738840.db2.gz VPVCHQDXQXFUHS-CHWSQXEVSA-N 2 0 270.373 1.619 10 0 CDAERP CN1CCN(C(=O)CC[NH2+][C@H]2CC[C@H]2C(C)(C)C)CC1 ZINC000348099615 359834764 /nfs/dbraw/zinc/83/47/64/359834764.db2.gz CBPJTFVRGGQPCX-KGLIPLIRSA-N 2 0 281.444 1.565 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCn2ccnc2C)[C@H](C)C1 ZINC000336800880 359865544 /nfs/dbraw/zinc/86/55/44/359865544.db2.gz OAENJGSTWIGJHG-HIFRSBDPSA-N 2 0 264.417 1.854 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000335393099 360146828 /nfs/dbraw/zinc/14/68/28/360146828.db2.gz BMBFIXSUPBOQQA-ZBFHGGJFSA-N 2 0 279.428 1.463 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCCC23CC3)CC1 ZINC000515434196 360498528 /nfs/dbraw/zinc/49/85/28/360498528.db2.gz GYDMYNGJAWDLHD-CABCVRRESA-N 2 0 265.445 1.935 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000626934393 360653879 /nfs/dbraw/zinc/65/38/79/360653879.db2.gz YGNGLVRTHOEWTO-XQQFMLRXSA-N 2 0 270.421 1.156 10 0 CDAERP C[N@@H+]1CCN(CC23CC(C2)C[NH2+]3)[C@@H](c2ccccc2)C1 ZINC000634991494 360618348 /nfs/dbraw/zinc/61/83/48/360618348.db2.gz GUBYGDYMDAZUPV-ARWYELJZSA-N 2 0 271.408 1.727 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000626947069 360685028 /nfs/dbraw/zinc/68/50/28/360685028.db2.gz KKEHVPQSOXRVSD-QPSCCSFWSA-N 2 0 296.459 1.547 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000626947304 360685424 /nfs/dbraw/zinc/68/54/24/360685424.db2.gz RITUXCXUTFJEEC-XDQVBPFNSA-N 2 0 282.432 1.156 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000626947013 360685882 /nfs/dbraw/zinc/68/58/82/360685882.db2.gz IUAHBCKYDMUUDQ-LJISPDSOSA-N 2 0 296.459 1.547 10 0 CDAERP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CCNC2=O)c1 ZINC000179063263 189166027 /nfs/dbraw/zinc/16/60/27/189166027.db2.gz YAXDTDVLIVTZIE-OAHLLOKOSA-N 2 0 275.396 1.507 10 0 CDAERP [NH3+]Cc1ccc(-c2noc([C@]3(F)CC[NH2+]C3)n2)cc1 ZINC000566738209 361061707 /nfs/dbraw/zinc/06/17/07/361061707.db2.gz PJDDAFODJVYLSJ-ZDUSSCGKSA-N 2 0 262.288 1.353 10 0 CDAERP [NH3+][C@H]1CC[C@@H](C(=O)N2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000237861446 283639069 /nfs/dbraw/zinc/63/90/69/283639069.db2.gz NQFLUBQQHMXQQM-CVEARBPZSA-N 2 0 293.455 1.838 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CC[C@H]2CCNC2=O)[C@@H](C)C1 ZINC000519419248 361305814 /nfs/dbraw/zinc/30/58/14/361305814.db2.gz MNUCOTJJFNJNKR-MJBXVCDLSA-N 2 0 267.417 1.175 10 0 CDAERP C[NH2+][C@H](C)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000054074562 361334982 /nfs/dbraw/zinc/33/49/82/361334982.db2.gz ALOBPBPOPPECJR-LLVKDONJSA-N 2 0 265.357 1.173 10 0 CDAERP CC[NH2+]Cc1ccccc1NC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000644097291 363870037 /nfs/dbraw/zinc/87/00/37/363870037.db2.gz DBGMWGYYKAMWFB-ZDUSSCGKSA-N 2 0 261.369 1.733 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)C[NH+](C)C1CCC1 ZINC000630015618 364434988 /nfs/dbraw/zinc/43/49/88/364434988.db2.gz BOFBODZVJMSQNS-UHFFFAOYSA-N 2 0 269.433 1.707 10 0 CDAERP Cc1nccn1CCC[N@@H+]1CCCC[C@@H]1C1(O)CC1 ZINC000566664383 370785968 /nfs/dbraw/zinc/78/59/68/370785968.db2.gz QZZUWBRFHAROLR-CQSZACIVSA-N 2 0 263.385 1.961 10 0 CDAERP CCC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000353407525 365210759 /nfs/dbraw/zinc/21/07/59/365210759.db2.gz WQCUPNKTZABIQX-YJNKXOJESA-N 2 0 279.428 1.460 10 0 CDAERP CC[C@H]1C[C@@H](CN(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC000566705592 370796018 /nfs/dbraw/zinc/79/60/18/370796018.db2.gz LPODUVUFUXCLCX-HOTGVXAUSA-N 2 0 285.476 1.617 10 0 CDAERP CCC(CC)[C@H](CN[C@@H](C)[C@@H]1CC[NH2+]C1)[NH+](C)C ZINC000400330249 366950001 /nfs/dbraw/zinc/95/00/01/366950001.db2.gz BRHIYPNFFVKMCU-CFVMTHIKSA-N 2 0 255.450 1.940 10 0 CDAERP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000414833603 367080152 /nfs/dbraw/zinc/08/01/52/367080152.db2.gz GMGFCXIRUQXGON-LBPRGKRZSA-N 2 0 259.357 1.212 10 0 CDAERP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000414833601 367080408 /nfs/dbraw/zinc/08/04/08/367080408.db2.gz GMGFCXIRUQXGON-GFCCVEGCSA-N 2 0 259.357 1.212 10 0 CDAERP COc1ccc(OC)c(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)c1 ZINC000415041836 241530594 /nfs/dbraw/zinc/53/05/94/241530594.db2.gz QEPDCDHIISPVDC-WCQYABFASA-N 2 0 264.369 1.921 10 0 CDAERP C[C@@H](CCNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)[NH+]1CCCCC1 ZINC000627013427 367237246 /nfs/dbraw/zinc/23/72/46/367237246.db2.gz LTJLROVLWRLPNX-QLFBSQMISA-N 2 0 296.459 1.691 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000627167286 367601451 /nfs/dbraw/zinc/60/14/51/367601451.db2.gz CMQMTDGMSQXPHU-SOUVJXGZSA-N 2 0 294.443 1.397 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000627168449 367603027 /nfs/dbraw/zinc/60/30/27/367603027.db2.gz UWVOIJWKRFJJLU-MELADBBJSA-N 2 0 280.416 1.005 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NCCC[NH2+]C1CC1 ZINC000416998113 242257198 /nfs/dbraw/zinc/25/71/98/242257198.db2.gz AUHQXILGRHDXAJ-GFCCVEGCSA-N 2 0 270.421 1.158 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000417004062 242262321 /nfs/dbraw/zinc/26/23/21/242262321.db2.gz HQCFBLZCGYEGLU-UPJWGTAASA-N 2 0 270.421 1.014 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000417012921 242268333 /nfs/dbraw/zinc/26/83/33/242268333.db2.gz YAIHGCMGWKVANC-KGLIPLIRSA-N 2 0 284.448 1.548 10 0 CDAERP C[C@H](CNC(=O)N[C@H]1CC[NH2+]C[C@H]1C)C[NH+]1CCCCC1 ZINC000417191899 242351013 /nfs/dbraw/zinc/35/10/13/242351013.db2.gz MYDAULXETBXQQV-KFWWJZLASA-N 2 0 296.459 1.406 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCCC[NH3+])C1 ZINC000417048249 242292005 /nfs/dbraw/zinc/29/20/05/242292005.db2.gz REUVREBHBYMZDL-OKILXGFUSA-N 2 0 284.448 1.393 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CC[NH+]2CCC1CC2 ZINC000358417871 367670989 /nfs/dbraw/zinc/67/09/89/367670989.db2.gz FQYXNGUTFGGPFI-CQSZACIVSA-N 2 0 296.459 1.596 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000417392462 242452671 /nfs/dbraw/zinc/45/26/71/242452671.db2.gz PCZVCGSMOKESJE-KBPBESRZSA-N 2 0 296.459 1.500 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627198974 367689512 /nfs/dbraw/zinc/68/95/12/367689512.db2.gz ZSQXBIOXZNGHDH-UONOGXRCSA-N 2 0 296.459 1.643 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C[NH2+]1 ZINC000627198823 367689610 /nfs/dbraw/zinc/68/96/10/367689610.db2.gz YDALIDNJCNCSFZ-MGPQQGTHSA-N 2 0 280.416 1.007 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)C[NH2+]1 ZINC000627207933 367709842 /nfs/dbraw/zinc/70/98/42/367709842.db2.gz UPBSTCBGJCJNDJ-IJEWVQPXSA-N 2 0 294.443 1.254 10 0 CDAERP CCC[C@](C)([NH3+])C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000037770642 284003726 /nfs/dbraw/zinc/00/37/26/284003726.db2.gz NHUOEFFHGUEUCG-HNNXBMFYSA-N 2 0 269.433 1.883 10 0 CDAERP C[C@@H]1CCC[C@](CNC(=O)C2=CC[C@H]([NH3+])C2)([NH+](C)C)C1 ZINC000638080165 368134282 /nfs/dbraw/zinc/13/42/82/368134282.db2.gz ZTODJRDXKHPQMW-INWMFGNUSA-N 2 0 279.428 1.661 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)C2=CC[C@@H]([NH3+])C2)CC1 ZINC000638088506 368258294 /nfs/dbraw/zinc/25/82/94/368258294.db2.gz MXVFBRXHLSNARM-CYBMUJFWSA-N 2 0 265.401 1.415 10 0 CDAERP [NH3+]CC[C@@H]1CCCN(C(=O)NC[C@H]([NH3+])c2ccccc2)C1 ZINC000418451488 243093375 /nfs/dbraw/zinc/09/33/75/243093375.db2.gz MRVYVPYALPNIMB-ZFWWWQNUSA-N 2 0 290.411 1.457 10 0 CDAERP CCCN(CC[NH+](CC)CC)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000418566245 243219377 /nfs/dbraw/zinc/21/93/77/243219377.db2.gz ZMGVMDYSIUFMGP-CABCVRRESA-N 2 0 298.475 1.748 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000418582968 243237487 /nfs/dbraw/zinc/23/74/87/243237487.db2.gz WATWFJKWPLEWLY-KGLIPLIRSA-N 2 0 282.432 1.112 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)C1 ZINC000567289505 370944992 /nfs/dbraw/zinc/94/49/92/370944992.db2.gz MDNJNTFQLMXIPD-RBSFLKMASA-N 2 0 279.428 1.413 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)COCC2CC2)[C@@H]2CCC[C@H]21 ZINC000353493930 368857770 /nfs/dbraw/zinc/85/77/70/368857770.db2.gz AXHNHWUNHOWWOZ-YHUYYLMFSA-N 2 0 282.428 1.236 10 0 CDAERP COc1c[nH+]ccc1N1CC[NH+](CCn2ccnc2)CC1 ZINC000361531420 368877747 /nfs/dbraw/zinc/87/77/47/368877747.db2.gz RJARMWFCJOQFQC-UHFFFAOYSA-N 3 0 287.367 1.109 10 0 CDAERP CC(C)C(=O)N1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420315317 244071889 /nfs/dbraw/zinc/07/18/89/244071889.db2.gz LPXMTHWDUCIJIO-CQSZACIVSA-N 2 0 267.417 1.176 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170830900 369511712 /nfs/dbraw/zinc/51/17/12/369511712.db2.gz DJGUYNJYVWPNGV-KBPBESRZSA-N 2 0 284.448 1.308 10 0 CDAERP C[C@@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)C[NH+]1CCCCC1 ZINC000170832605 369678834 /nfs/dbraw/zinc/67/88/34/369678834.db2.gz LAXRRLHZAARJPT-LSDHHAIUSA-N 2 0 296.459 1.454 10 0 CDAERP C[C@@H](CNC(=O)[C@]1(C)CCC[NH2+]1)C[NH+]1CCCCC1 ZINC000079518667 369856595 /nfs/dbraw/zinc/85/65/95/369856595.db2.gz HZGGFDCKGSACPQ-ZFWWWQNUSA-N 2 0 267.417 1.367 10 0 CDAERP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cncnc3)C2)CC1 ZINC000290620430 369979992 /nfs/dbraw/zinc/97/99/92/369979992.db2.gz XDWSYLCJLKSVPZ-HNNXBMFYSA-N 2 0 260.385 1.640 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000246984758 370093523 /nfs/dbraw/zinc/09/35/23/370093523.db2.gz QMZJLJBXHABZPC-JALIKCBVSA-N 2 0 279.428 1.508 10 0 CDAERP C[C@H]([NH3+])[C@H](C)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000389851065 370427076 /nfs/dbraw/zinc/42/70/76/370427076.db2.gz VRARPULICQXOCI-ORIJERBGSA-N 2 0 261.413 1.832 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1cn2cc(C)ccc2n1 ZINC000422707703 245166421 /nfs/dbraw/zinc/16/64/21/245166421.db2.gz ANNMTHPYLNVPLY-ZDUSSCGKSA-N 2 0 276.384 1.486 10 0 CDAERP Cc1cc(C[NH2+]CCCN2CC[NH+](C)CC2)cs1 ZINC000295347841 371386572 /nfs/dbraw/zinc/38/65/72/371386572.db2.gz IINVRRYKTWRPRT-UHFFFAOYSA-N 2 0 267.442 1.784 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)NCC1(C)CC[NH2+]CC1 ZINC000575399923 371831621 /nfs/dbraw/zinc/83/16/21/371831621.db2.gz AKKRNSJNUHZZBA-CQSZACIVSA-N 2 0 281.444 1.757 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)[C@@H]2CCOC2)[C@H]2CCC[C@H]21 ZINC000353589178 371989426 /nfs/dbraw/zinc/98/94/26/371989426.db2.gz PIKNKRANYHXOJA-DGXTUMSLSA-N 2 0 282.428 1.094 10 0 CDAERP C[N@@H+](Cc1cccc2c1CC[NH2+]C2)C[C@H]1CCCO1 ZINC000123923049 541864752 /nfs/dbraw/zinc/86/47/52/541864752.db2.gz NKAIBMPVVVJBTK-OAHLLOKOSA-N 2 0 260.381 1.943 10 0 CDAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[NH2+]C1 ZINC000394354350 372361090 /nfs/dbraw/zinc/36/10/90/372361090.db2.gz RROVIFYMIUCKFU-KFWWJZLASA-N 2 0 279.428 1.461 10 0 CDAERP Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)CCCC[NH3+])C2)n(C)n1 ZINC000423075626 245542900 /nfs/dbraw/zinc/54/29/00/245542900.db2.gz OZNZSWKPXQRZQH-UKRRQHHQSA-N 2 0 293.459 1.804 10 0 CDAERP CC[C@@H](O)C[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195296500 372952199 /nfs/dbraw/zinc/95/21/99/372952199.db2.gz AVBKQQGWVMOXON-HZPDHXFCSA-N 2 0 277.412 1.606 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C[C@@H]1C ZINC000581497951 373045259 /nfs/dbraw/zinc/04/52/59/373045259.db2.gz KSVBGFGCSOMLOE-ILXRZTDVSA-N 2 0 281.444 1.659 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000645684737 373233444 /nfs/dbraw/zinc/23/34/44/373233444.db2.gz DVKWABMUAMLGOT-ZIAGYGMSSA-N 2 0 279.359 1.078 10 0 CDAERP CC(C)n1ccc(C[C@@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)n1 ZINC000341248695 373493553 /nfs/dbraw/zinc/49/35/53/373493553.db2.gz ZTDWPOMFUOKFAD-CQSZACIVSA-N 2 0 294.443 1.441 10 0 CDAERP CC(C)[NH+]1CCN(CCC[NH+]2[C@H](C)COC[C@H]2C)CC1 ZINC000191507084 373503038 /nfs/dbraw/zinc/50/30/38/373503038.db2.gz UTLHHVGMECAQBT-HZPDHXFCSA-N 2 0 283.460 1.512 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH+](C)C ZINC000341307675 373591024 /nfs/dbraw/zinc/59/10/24/373591024.db2.gz SKFRABPQVVPRFC-STQMWFEESA-N 2 0 255.406 1.175 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]2CN(Cc3nc(CC4CC4)no3)C[C@H]21 ZINC000631824137 373709001 /nfs/dbraw/zinc/70/90/01/373709001.db2.gz XJOKPEUISKFQNU-YNEHKIRRSA-N 2 0 276.384 1.581 10 0 CDAERP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc3oc(=O)n(C)c3c2)C1 ZINC000631823831 373708622 /nfs/dbraw/zinc/70/86/22/373708622.db2.gz OSMDANHQUMBZPC-ZYHUDNBSSA-N 2 0 275.352 1.301 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000653955710 412818763 /nfs/dbraw/zinc/81/87/63/412818763.db2.gz SMXFONYFUFVANH-SOUVJXGZSA-N 2 0 296.459 1.356 10 0 CDAERP CCO[C@H](C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)C1CC1 ZINC000631889220 374569500 /nfs/dbraw/zinc/56/95/00/374569500.db2.gz DLDHDHMYGZFFLT-RRFJBIMHSA-N 2 0 252.402 1.875 10 0 CDAERP C[NH+](C)CCCC1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000123615730 374700679 /nfs/dbraw/zinc/70/06/79/374700679.db2.gz ZQLIFKHRAXJZBJ-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH2+]CCn2cc(C)cn2)[C@H](C)C1 ZINC000123881659 374733342 /nfs/dbraw/zinc/73/33/42/374733342.db2.gz FWEVRUBRGXCOOB-ZIAGYGMSSA-N 2 0 250.390 1.511 10 0 CDAERP C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CCC[NH+]1CCCCC1 ZINC000125127141 374898174 /nfs/dbraw/zinc/89/81/74/374898174.db2.gz ZHVIITADOOWUQB-KBPBESRZSA-N 2 0 267.417 1.448 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(C(F)F)nc1 ZINC000631068171 374934404 /nfs/dbraw/zinc/93/44/04/374934404.db2.gz YUQHDZGZMMTANM-GFCCVEGCSA-N 2 0 298.381 1.745 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000334325326 374905616 /nfs/dbraw/zinc/90/56/16/374905616.db2.gz AYFQFMBFPPRADK-DTWKUNHWSA-N 2 0 265.332 1.393 10 0 CDAERP COCC1(C[NH2+]CCCN2CC[NH+](C)CC2)CCC1 ZINC000638851479 375091552 /nfs/dbraw/zinc/09/15/52/375091552.db2.gz LXYSBZZCUDTSGQ-UHFFFAOYSA-N 2 0 269.433 1.030 10 0 CDAERP Cc1cn2c(n1)C[C@@H](C(=O)NC(C)(C)C[NH+](C)C)CC2 ZINC000627705412 375531874 /nfs/dbraw/zinc/53/18/74/375531874.db2.gz RQNIKABQJJBDON-LBPRGKRZSA-N 2 0 278.400 1.210 10 0 CDAERP CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000638974996 376315089 /nfs/dbraw/zinc/31/50/89/376315089.db2.gz GDIZMQISYODLBA-CHWSQXEVSA-N 2 0 269.433 1.693 10 0 CDAERP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000638974997 376315299 /nfs/dbraw/zinc/31/52/99/376315299.db2.gz GDIZMQISYODLBA-OLZOCXBDSA-N 2 0 269.433 1.693 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)NC[C@@H]([NH3+])C(C)C)CC1 ZINC000417392045 376319136 /nfs/dbraw/zinc/31/91/36/376319136.db2.gz OJCRLRCAKBXHAG-CQSZACIVSA-N 2 0 284.448 1.391 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000417389110 376302148 /nfs/dbraw/zinc/30/21/48/376302148.db2.gz JRWTXLQPDJRMQU-UKRRQHHQSA-N 2 0 296.459 1.487 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CC[C@@H]1SC ZINC000425357521 376588857 /nfs/dbraw/zinc/58/88/57/376588857.db2.gz QFLLQXBTNXQLAV-UPJWGTAASA-N 2 0 260.447 1.827 10 0 CDAERP CC[C@H](C)NC(=O)CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246689386 376972720 /nfs/dbraw/zinc/97/27/20/376972720.db2.gz KDKDJCUWVQNOSK-RWMBFGLXSA-N 2 0 255.406 1.316 10 0 CDAERP CC[C@H](C)NC(=O)CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246689407 376973078 /nfs/dbraw/zinc/97/30/78/376973078.db2.gz KDKDJCUWVQNOSK-XQQFMLRXSA-N 2 0 255.406 1.316 10 0 CDAERP C[C@@H]1CN(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)CC[C@@H]1[NH3+] ZINC000417541540 377936883 /nfs/dbraw/zinc/93/68/83/377936883.db2.gz YSNGDZHXJGICQJ-KBXIAJHMSA-N 2 0 296.459 1.628 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000417541856 377937263 /nfs/dbraw/zinc/93/72/63/377937263.db2.gz ZBNOPYVXLYJYRC-MELADBBJSA-N 2 0 282.432 1.382 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](CC)C[C@H]2C)CC[N@@H+]1C ZINC000633019391 378049654 /nfs/dbraw/zinc/04/96/54/378049654.db2.gz HIMSJBGHRDJUCJ-HZSPNIEDSA-N 2 0 267.417 1.269 10 0 CDAERP C[C@H](CNC(=O)N[C@H](C)[C@H](C)[NH3+])[N@H+](C)Cc1ccccc1 ZINC000417587582 378077422 /nfs/dbraw/zinc/07/74/22/378077422.db2.gz NXRRDNQSHAMCEJ-HZSPNIEDSA-N 2 0 292.427 1.542 10 0 CDAERP CSCc1ccc(C[NH2+]CC2CC[NH+](CCO)CC2)o1 ZINC000069415319 378079361 /nfs/dbraw/zinc/07/93/61/378079361.db2.gz HDHRWSJLIGKFOV-UHFFFAOYSA-N 2 0 298.452 1.937 10 0 CDAERP C[C@@H](O)C[NH+]1CCC(C[NH2+]Cc2cccs2)CC1 ZINC000069349956 378021827 /nfs/dbraw/zinc/02/18/27/378021827.db2.gz UQHVANNGTSPRBP-GFCCVEGCSA-N 2 0 268.426 1.931 10 0 CDAERP C[C@H]1C[C@@H](N(C)C(=O)NC2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000173392804 378308458 /nfs/dbraw/zinc/30/84/58/378308458.db2.gz HUPHQONTHIITIH-JSGCOSHPSA-N 2 0 282.432 1.205 10 0 CDAERP CN(CCC[NH+]1CCCCC1)[C@@H](C[NH3+])C(F)(F)F ZINC000662330979 412901708 /nfs/dbraw/zinc/90/17/08/412901708.db2.gz DLNZTYWLFUOKEU-NSHDSACASA-N 2 0 267.339 1.684 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000657573104 412903702 /nfs/dbraw/zinc/90/37/02/412903702.db2.gz JSHODQDIQCONRP-IHRRRGAJSA-N 2 0 257.422 1.025 10 0 CDAERP CCN(C(=O)N[C@H](C)CC[NH+](C)C)[C@H]1CC[N@H+](C)C1 ZINC000663850286 412912166 /nfs/dbraw/zinc/91/21/66/412912166.db2.gz REKLIDLMANSEHV-OLZOCXBDSA-N 2 0 270.421 1.062 10 0 CDAERP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000634300517 379355715 /nfs/dbraw/zinc/35/57/15/379355715.db2.gz BFHWKTFWKDUMPB-BFHYXJOUSA-N 2 0 267.417 1.173 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](OC)[C@@H]2CCOC2)[C@@H](C)C1 ZINC000660081554 412912941 /nfs/dbraw/zinc/91/29/41/412912941.db2.gz ICDBFNYDPSJFPK-FZKCQIBNSA-N 2 0 284.444 1.700 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000334590285 379463239 /nfs/dbraw/zinc/46/32/39/379463239.db2.gz CCOLDFUXMFXONS-OCCSQVGLSA-N 2 0 267.417 1.221 10 0 CDAERP CN(CCC[NH+]1CCCC1)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655928533 412934322 /nfs/dbraw/zinc/93/43/22/412934322.db2.gz OBYNMHLQGQXSDU-JTQLQIEISA-N 2 0 296.337 1.003 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000662406908 412974330 /nfs/dbraw/zinc/97/43/30/412974330.db2.gz MNYMAVXZCMMIMV-XGUBFFRZSA-N 2 0 299.459 1.221 10 0 CDAERP CCCC[C@@H](C[NH3+])NC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662431651 413012779 /nfs/dbraw/zinc/01/27/79/413012779.db2.gz LDBVZZALAVGKNS-LBPRGKRZSA-N 2 0 294.399 1.389 10 0 CDAERP CCCCCC[N@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001663185110 1172651073 /nfs/dbraw/zinc/65/10/73/1172651073.db2.gz KQEQJTONCAHFJC-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CSC ZINC000337577818 285276635 /nfs/dbraw/zinc/27/66/35/285276635.db2.gz KPWYTBCEGOZZAQ-ZDUSSCGKSA-N 2 0 287.473 1.224 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCCCC[NH2+]1)[NH+]1CCCCC1 ZINC000080997275 177751692 /nfs/dbraw/zinc/75/16/92/177751692.db2.gz NANVYVLIEHQQSQ-KGLIPLIRSA-N 2 0 267.417 1.509 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)CC1 ZINC000646914236 390298206 /nfs/dbraw/zinc/29/82/06/390298206.db2.gz SPFBWNLDJURRAL-CABCVRRESA-N 2 0 279.428 1.269 10 0 CDAERP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000646988449 390338895 /nfs/dbraw/zinc/33/88/95/390338895.db2.gz QDUKTGPOWSUMFT-MGPQQGTHSA-N 2 0 267.417 1.542 10 0 CDAERP CC(C)([NH3+])CC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000647093583 390401938 /nfs/dbraw/zinc/40/19/38/390401938.db2.gz PQCAARKLLZYRFM-KGLIPLIRSA-N 2 0 293.386 1.596 10 0 CDAERP COC[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)OC ZINC000353674230 285378181 /nfs/dbraw/zinc/37/81/81/285378181.db2.gz TXXKJJPQHHFHFL-REWJHTLYSA-N 2 0 256.390 1.110 10 0 CDAERP FC1(F)C[C@@H]1OCC[NH+]1CCC(N2CCOCC2)CC1 ZINC000625544118 390586291 /nfs/dbraw/zinc/58/62/91/390586291.db2.gz IPCUKZQPXRQLMZ-ZDUSSCGKSA-N 2 0 290.354 1.207 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000181124027 390913702 /nfs/dbraw/zinc/91/37/02/390913702.db2.gz ACECXRBKBFDKHR-CABCVRRESA-N 2 0 253.434 1.887 10 0 CDAERP CC(C)(C)CC(=O)N1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000647875102 391122488 /nfs/dbraw/zinc/12/24/88/391122488.db2.gz VRIPZIRIFCWQAE-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP Cc1noc(CCC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)n1 ZINC000647903212 391199298 /nfs/dbraw/zinc/19/92/98/391199298.db2.gz GXPXFPJCSNJJGQ-ZIAGYGMSSA-N 2 0 278.400 1.775 10 0 CDAERP CC1=C[C@H](C)C[C@H](C[NH2+]C[C@](C)(O)C[NH+](C)C)C1 ZINC000300695396 391285107 /nfs/dbraw/zinc/28/51/07/391285107.db2.gz ICXBAWZQNZTTQY-QEJZJMRPSA-N 2 0 254.418 1.881 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186505638 391406508 /nfs/dbraw/zinc/40/65/08/391406508.db2.gz AAQQSSBRUQFWFV-LBPRGKRZSA-N 2 0 253.390 1.070 10 0 CDAERP C[C@@H]1CC[NH2+][C@H](C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)C1 ZINC000648104572 391338992 /nfs/dbraw/zinc/33/89/92/391338992.db2.gz DTSCWXLIFXEEMA-TUVASFSCSA-N 2 0 279.428 1.365 10 0 CDAERP CC1=CC[N@H+](CCNC(=O)N(C)[C@@H]2CCC[NH2+]CC2)CC1 ZINC000418028859 391344364 /nfs/dbraw/zinc/34/43/64/391344364.db2.gz QOPOPCJAFRJSTM-OAHLLOKOSA-N 2 0 294.443 1.422 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCSCC2)CC1 ZINC000411419971 391451576 /nfs/dbraw/zinc/45/15/76/391451576.db2.gz KZRURTKDPZWSNT-UHFFFAOYSA-N 2 0 299.484 1.414 10 0 CDAERP C[C@H](NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)C(C)(C)C[NH+](C)C ZINC000417853280 391509926 /nfs/dbraw/zinc/50/99/26/391509926.db2.gz IGQLNVXGJJBHRW-JSGCOSHPSA-N 2 0 296.459 1.499 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417883410 391565724 /nfs/dbraw/zinc/56/57/24/391565724.db2.gz VUSORIYOGPRUPU-DFBGVHRSSA-N 2 0 292.427 1.005 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000417827388 391491538 /nfs/dbraw/zinc/49/15/38/391491538.db2.gz FUHFQHQRNNLUAO-DTWKUNHWSA-N 2 0 281.322 1.161 10 0 CDAERP CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1cnc(N(C)C)n1C ZINC000425368532 391494481 /nfs/dbraw/zinc/49/44/81/391494481.db2.gz KHAAERXWVBLQGQ-DGCLKSJQSA-N 2 0 266.389 1.079 10 0 CDAERP CS[C@H]1CC[C@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000519705276 391692839 /nfs/dbraw/zinc/69/28/39/391692839.db2.gz BEAFGTMNBZPNAZ-KGLIPLIRSA-N 2 0 271.474 1.498 10 0 CDAERP C[C@@H]1C[C@H](C[NH2+]C2CCC([NH+]3CCNCC3)CC2)CC[NH2+]1 ZINC000415053877 391738324 /nfs/dbraw/zinc/73/83/24/391738324.db2.gz MZEMZGWCTNHUOP-NUWOQIAWSA-N 3 0 294.487 1.181 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000418207788 391811361 /nfs/dbraw/zinc/81/13/61/391811361.db2.gz VBVWBMVIEVIBAU-SDDRHHMPSA-N 2 0 258.410 1.142 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N1C[C@H]2CCC[NH+]2C[C@H]1C ZINC000247207164 391896134 /nfs/dbraw/zinc/89/61/34/391896134.db2.gz LVDBSUMOFJZNAD-RRFJBIMHSA-N 2 0 296.459 1.595 10 0 CDAERP CC1=C[C@H](C)C[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000430274046 391910852 /nfs/dbraw/zinc/91/08/52/391910852.db2.gz GNILNKXATXEBNQ-AWEZNQCLSA-N 2 0 293.455 1.873 10 0 CDAERP CC[C@@H]1C[C@H](C)C[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000342310678 391997930 /nfs/dbraw/zinc/99/79/30/391997930.db2.gz GOJLAHCWBUFMBA-DZGCQCFKSA-N 2 0 293.455 1.850 10 0 CDAERP CCC(CC)(C[NH3+])C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000649319229 392010895 /nfs/dbraw/zinc/01/08/95/392010895.db2.gz PYJYLDXQKSXTRH-UHFFFAOYSA-N 2 0 287.367 1.971 10 0 CDAERP CC[C@@H]1C[N@H+](C)CCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000646051883 391944357 /nfs/dbraw/zinc/94/43/57/391944357.db2.gz QFHWOINIDLNFPP-SOUVJXGZSA-N 2 0 281.444 1.659 10 0 CDAERP C[C@H](O)CC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000336805232 392084372 /nfs/dbraw/zinc/08/43/72/392084372.db2.gz VYIGQAJTOHLWLJ-AWEZNQCLSA-N 2 0 270.417 1.192 10 0 CDAERP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCC[C@@H]1CCOC1 ZINC000645837951 392238348 /nfs/dbraw/zinc/23/83/48/392238348.db2.gz VUAFEFZFGDOHNZ-QBPKDAKJSA-N 2 0 296.455 1.987 10 0 CDAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)C[C@H]3CCC[NH2+]C3)CC[C@@H]21 ZINC000250662224 392230691 /nfs/dbraw/zinc/23/06/91/392230691.db2.gz YZGQLDPITNIYBE-KFWWJZLASA-N 2 0 279.428 1.319 10 0 CDAERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@H](O)C(C)C)C1 ZINC000432825246 392274907 /nfs/dbraw/zinc/27/49/07/392274907.db2.gz WAIQBHXKQQAEBC-CABCVRRESA-N 2 0 272.433 1.436 10 0 CDAERP C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)[C@@H]1CC[NH2+]C1 ZINC000423021372 392279154 /nfs/dbraw/zinc/27/91/54/392279154.db2.gz BVLZAOJKXURKQJ-XPABHHOTSA-N 2 0 264.413 1.922 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000423103647 392346322 /nfs/dbraw/zinc/34/63/22/392346322.db2.gz XSGUFIGIACBMCX-YIYPIFLZSA-N 2 0 268.401 1.825 10 0 CDAERP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000423115209 392355180 /nfs/dbraw/zinc/35/51/80/392355180.db2.gz XNQPJQQNTAUKCL-OWCLPIDISA-N 2 0 262.397 1.697 10 0 CDAERP C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@H]1CCCC[N@@H+]1CCO ZINC000423146644 392385393 /nfs/dbraw/zinc/38/53/93/392385393.db2.gz PVDGGUPCCXVQIQ-BRWVUGGUSA-N 2 0 297.487 1.734 10 0 CDAERP C(C[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1)CN1CC[NH2+]CC1 ZINC000423176420 392417027 /nfs/dbraw/zinc/41/70/27/392417027.db2.gz CFFAQISLUPMBJH-GVDBMIGSSA-N 2 0 295.471 1.467 10 0 CDAERP CCCC[C@H](CC)C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000568218791 392417039 /nfs/dbraw/zinc/41/70/39/392417039.db2.gz BLIMCKXUDDUUSO-HOTGVXAUSA-N 2 0 285.476 1.401 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NCCC[NH2+]Cc1cccnc1 ZINC000423182497 392422910 /nfs/dbraw/zinc/42/29/10/392422910.db2.gz FANLWPAODGXLKE-HIFRSBDPSA-N 2 0 262.401 1.149 10 0 CDAERP C1C[C@H]([C@@H]2CCC[C@H]([NH2+]C3CC[NH2+]CC3)C2)CO1 ZINC000423190555 392429985 /nfs/dbraw/zinc/42/99/85/392429985.db2.gz SPWHNRBTKTXZHI-IPYPFGDCSA-N 2 0 252.402 1.923 10 0 CDAERP Cc1cc(CNCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cs1 ZINC000449134539 392664660 /nfs/dbraw/zinc/66/46/60/392664660.db2.gz JZXYWQMUIZXJMG-AWEZNQCLSA-N 2 0 295.452 1.734 10 0 CDAERP CCn1nnc(C)c1C[NH2+]CCC1CC[NH+](CC)CC1 ZINC000449174202 392696038 /nfs/dbraw/zinc/69/60/38/392696038.db2.gz YRMTUJUDPCLGPV-UHFFFAOYSA-N 2 0 279.432 1.818 10 0 CDAERP CC(C)C[C@H]([NH2+][C@@H]1C[C@H](C)[C@@H]1C)C(=O)NCC[NH+](C)C ZINC000494803876 393108272 /nfs/dbraw/zinc/10/82/72/393108272.db2.gz JJWBWNKRTBEPHO-XQLPTFJDSA-N 2 0 283.460 1.713 10 0 CDAERP C[C@@H]1C[C@H]([N@H+](C)CCOCC(F)F)CCN1C ZINC000189503889 393079690 /nfs/dbraw/zinc/07/96/90/393079690.db2.gz RHPDQXOXWIHELL-GHMZBOCLSA-N 2 0 250.333 1.683 10 0 CDAERP C[C@H](C[NH2+][C@@H]1C[C@H](C)[C@H]1C)CN1CC[NH+](C)CC1 ZINC000495077643 393172593 /nfs/dbraw/zinc/17/25/93/393172593.db2.gz GAPCYBKFMMGQBD-LXTVHRRPSA-N 2 0 253.434 1.504 10 0 CDAERP CC(C)(C)C1CC([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000459465069 393178782 /nfs/dbraw/zinc/17/87/82/393178782.db2.gz IMKQYMJTGAMMIR-RUXDESIVSA-N 2 0 254.418 1.857 10 0 CDAERP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000494914979 393129216 /nfs/dbraw/zinc/12/92/16/393129216.db2.gz MQMURBZWOQRLGP-GFCCVEGCSA-N 2 0 255.406 1.364 10 0 CDAERP CC[C@H]1[C@@H](CO)CC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000451258481 393182832 /nfs/dbraw/zinc/18/28/32/393182832.db2.gz ROYPPKMUXRKPSV-CABCVRRESA-N 2 0 254.418 1.955 10 0 CDAERP O=C(NCC1([NH+]2CCCCC2)CCCCC1)C1C[NH2+]C1 ZINC000091410934 139685390 /nfs/dbraw/zinc/68/53/90/139685390.db2.gz CXGBYPQYFRRTSR-UHFFFAOYSA-N 2 0 279.428 1.511 10 0 CDAERP CC1(CNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC[NH2+]CC1 ZINC000183309517 140026753 /nfs/dbraw/zinc/02/67/53/140026753.db2.gz LWSOEXIUBXKVIY-KBPBESRZSA-N 2 0 281.444 1.790 10 0 CDAERP C[C@H](CCn1cccn1)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000183713835 140030341 /nfs/dbraw/zinc/03/03/41/140030341.db2.gz GHRWYHCIDZAIQD-CABCVRRESA-N 2 0 280.416 1.098 10 0 CDAERP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]([NH3+])COC(C)C)c1 ZINC000662508551 413078187 /nfs/dbraw/zinc/07/81/87/413078187.db2.gz DTHATMKWPWZYDI-HNNXBMFYSA-N 2 0 293.411 1.747 10 0 CDAERP [NH3+][C@H]1CCC[C@@H](Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000656197755 413095795 /nfs/dbraw/zinc/09/57/95/413095795.db2.gz INWLPYJCFRJEAD-NWDGAFQWSA-N 2 0 257.341 1.949 10 0 CDAERP CC(C)OC(=O)CC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420387997 397701539 /nfs/dbraw/zinc/70/15/39/397701539.db2.gz GVBRVQYMIQPMSA-KGLIPLIRSA-N 2 0 268.401 1.792 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C[C@H]2CCC[NH+]2C)[C@@H](C)C1 ZINC000649561737 397830503 /nfs/dbraw/zinc/83/05/03/397830503.db2.gz HWDAOCQUABGVID-ZNMIVQPWSA-N 2 0 253.434 1.743 10 0 CDAERP Nc1nc(N2CCC(CC[NH3+])CC2)c2c([nH+]1)CCCC2 ZINC000650307803 397873235 /nfs/dbraw/zinc/87/32/35/397873235.db2.gz PONLTXOZCJRSCZ-UHFFFAOYSA-N 2 0 275.400 1.333 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)C[C@H]([NH3+])c2ccccc2)C1 ZINC000040673681 397895446 /nfs/dbraw/zinc/89/54/46/397895446.db2.gz BYGLAPVIEOKDBF-KBPBESRZSA-N 2 0 261.369 1.287 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000092629810 147017741 /nfs/dbraw/zinc/01/77/41/147017741.db2.gz DVCKPXCHQQDPOT-FRRDWIJNSA-N 2 0 253.390 1.057 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CC2=CCCOC2)[C@H](C)C1 ZINC000093639555 147059000 /nfs/dbraw/zinc/05/90/00/147059000.db2.gz HBTRXSDNQLJHOK-UKRRQHHQSA-N 2 0 252.402 1.995 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CCCOC1 ZINC000658107771 413204248 /nfs/dbraw/zinc/20/42/48/413204248.db2.gz IPQHVXXSPGNMCM-KBPBESRZSA-N 2 0 257.422 1.027 10 0 CDAERP CC(C)[NH+](CCNC(=O)[C@@H]1CC[C@H]([NH3+])C1)C(C)C ZINC000097092042 147120768 /nfs/dbraw/zinc/12/07/68/147120768.db2.gz FFAJPCROLAVQSW-OLZOCXBDSA-N 2 0 255.406 1.349 10 0 CDAERP CC[NH+](CC)CCCC1CC[NH+](C[C@@H](O)COC)CC1 ZINC000182764035 148264937 /nfs/dbraw/zinc/26/49/37/148264937.db2.gz IQQRSLPBWMOGMP-MRXNPFEDSA-N 2 0 286.460 1.828 10 0 CDAERP C[NH+](C)CCCC1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000182920223 148274216 /nfs/dbraw/zinc/27/42/16/148274216.db2.gz DXDDKPVFCZPHFG-AWEZNQCLSA-N 2 0 267.417 1.319 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000262066280 149007201 /nfs/dbraw/zinc/00/72/01/149007201.db2.gz SBGDDLSGMCSWQT-HUUCEWRRSA-N 2 0 297.443 1.121 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[NH+](C)CC1 ZINC000346140156 153067972 /nfs/dbraw/zinc/06/79/72/153067972.db2.gz WPVRJGGOJAUBEQ-UHFFFAOYSA-N 2 0 271.368 1.323 10 0 CDAERP CC(C)([NH3+])c1cc(C(=O)NCC[NH+]2CCCCC2)on1 ZINC000662670242 413285894 /nfs/dbraw/zinc/28/58/94/413285894.db2.gz WIVKASUPZWDQRD-UHFFFAOYSA-N 2 0 280.372 1.084 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)N(C)[C@H]1CC[NH+](C2CC2)C1 ZINC000350071252 154319691 /nfs/dbraw/zinc/31/96/91/154319691.db2.gz FZUFFUHLBAIDAY-HIFRSBDPSA-N 2 0 296.459 1.595 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)CC2([NH3+])CC2)C1 ZINC000662683988 413306282 /nfs/dbraw/zinc/30/62/82/413306282.db2.gz VAYNTXBTJXHXSQ-OKILXGFUSA-N 2 0 281.444 1.742 10 0 CDAERP CC[C@H]([NH3+])C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000662687550 413316076 /nfs/dbraw/zinc/31/60/76/413316076.db2.gz ZZLJJKPHQMMBOH-QWHCGFSZSA-N 2 0 263.341 1.023 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662693005 413323911 /nfs/dbraw/zinc/32/39/11/413323911.db2.gz MUYNMNWLIFCKDZ-ZDUSSCGKSA-N 2 0 279.428 1.508 10 0 CDAERP C[C@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)C[NH+](C)C ZINC000355741447 157212131 /nfs/dbraw/zinc/21/21/31/157212131.db2.gz MFLLWBJTBCTNBO-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)C[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)C(=O)NCC[NH+](C)C ZINC000358985916 158091124 /nfs/dbraw/zinc/09/11/24/158091124.db2.gz KKBRMEINBODFKR-ZNMIVQPWSA-N 2 0 299.459 1.094 10 0 CDAERP CS[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH+](C)C ZINC000362963273 286699599 /nfs/dbraw/zinc/69/95/99/286699599.db2.gz KFTWQGRSUMBNIU-ZIAGYGMSSA-N 2 0 299.484 1.222 10 0 CDAERP C[C@@H](NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)C1=CC[N@H+](C)CC1 ZINC000654522872 413389006 /nfs/dbraw/zinc/38/90/06/413389006.db2.gz GYPDSXJLSYJEPT-NFAWXSAZSA-N 2 0 294.443 1.276 10 0 CDAERP C[C@H]1C[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H]1C ZINC000362430710 159146732 /nfs/dbraw/zinc/14/67/32/159146732.db2.gz OYDFCZOOPPQOAY-STQMWFEESA-N 2 0 279.428 1.317 10 0 CDAERP CCOCCC[N@@H+]1CC[C@@H](NC(=O)CC2([NH3+])CC2)[C@@H](C)C1 ZINC000662735777 413407039 /nfs/dbraw/zinc/40/70/39/413407039.db2.gz PUPZYRNRCNUSIA-UONOGXRCSA-N 2 0 297.443 1.121 10 0 CDAERP C[N@H+]1CC=C(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)CC1 ZINC000371506331 160019176 /nfs/dbraw/zinc/01/91/76/160019176.db2.gz QNOCAAGIYOLOQQ-BFHYXJOUSA-N 2 0 250.386 1.651 10 0 CDAERP CC[C@](C)(O)C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000372900943 160156820 /nfs/dbraw/zinc/15/68/20/160156820.db2.gz PIUCGIBAQUACCE-KRWDZBQOSA-N 2 0 297.487 1.638 10 0 CDAERP C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000405007883 413448677 /nfs/dbraw/zinc/44/86/77/413448677.db2.gz CCPKMLAXUJPFRP-MELADBBJSA-N 2 0 267.417 1.304 10 0 CDAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1CC[NH2+]CC1 ZINC000182433267 287218867 /nfs/dbraw/zinc/21/88/67/287218867.db2.gz AGYQDUSAETXBKB-ZIAGYGMSSA-N 2 0 265.401 1.071 10 0 CDAERP C[N@@H+]1CCCN([C@@H](C[NH3+])c2cccc(Cl)c2)CC1 ZINC000020217656 171080024 /nfs/dbraw/zinc/08/00/24/171080024.db2.gz MNOQJQWPIJCWMS-AWEZNQCLSA-N 2 0 267.804 1.977 10 0 CDAERP CCc1ccc([C@@H]([NH3+])CN2CCC[N@H+](C)CC2)cc1 ZINC000020260476 171116645 /nfs/dbraw/zinc/11/66/45/171116645.db2.gz YBVYGJCBJGAIST-INIZCTEOSA-N 2 0 261.413 1.886 10 0 CDAERP C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(C[NH3+])cc2)CCO1 ZINC000022153198 171360074 /nfs/dbraw/zinc/36/00/74/171360074.db2.gz POWMGTLLLYJNQM-GFCCVEGCSA-N 2 0 277.368 1.195 10 0 CDAERP C[NH+]1CCN([C@@H](C[NH3+])c2ccc(F)c(F)c2)CC1 ZINC000022211573 171373886 /nfs/dbraw/zinc/37/38/86/171373886.db2.gz LCIJLBWNXAEPQE-ZDUSSCGKSA-N 2 0 255.312 1.212 10 0 CDAERP CCC[NH+]1CCN([C@H](C[NH3+])c2c(F)cccc2F)CC1 ZINC000022212747 171374234 /nfs/dbraw/zinc/37/42/34/171374234.db2.gz IUWYPHZYYQMHFT-CQSZACIVSA-N 2 0 283.366 1.992 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000405221893 413523129 /nfs/dbraw/zinc/52/31/29/413523129.db2.gz QYSRVVXMAXRFJL-MELADBBJSA-N 2 0 269.433 1.596 10 0 CDAERP CC(C)[N@@H+]1CCCN(C(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000662823763 413550375 /nfs/dbraw/zinc/55/03/75/413550375.db2.gz WLUYVECBQQQRLS-UHFFFAOYSA-N 2 0 279.428 1.604 10 0 CDAERP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000660844661 413560174 /nfs/dbraw/zinc/56/01/74/413560174.db2.gz SBXPVSHYTUDZFY-QWHCGFSZSA-N 2 0 284.448 1.499 10 0 CDAERP C[C@H](NC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1nccn1C ZINC000660867502 413599666 /nfs/dbraw/zinc/59/96/66/413599666.db2.gz ALKDLCQOUROTSG-SDDRHHMPSA-N 2 0 291.399 1.406 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000662851902 413604993 /nfs/dbraw/zinc/60/49/93/413604993.db2.gz FIIRVNMLZDIRHT-CHWSQXEVSA-N 2 0 281.444 1.754 10 0 CDAERP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000662885535 413655107 /nfs/dbraw/zinc/65/51/07/413655107.db2.gz RZGKHEJWKNPXSU-LSDHHAIUSA-N 2 0 289.379 1.428 10 0 CDAERP c1cc([C@@H]2C[NH2+]CCO2)ccc1N[C@@H]1CCC[NH2+]CC1 ZINC000656793214 413671938 /nfs/dbraw/zinc/67/19/38/413671938.db2.gz QXCRPNQCFOXEBU-ZBFHGGJFSA-N 2 0 275.396 1.902 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000659293243 413684329 /nfs/dbraw/zinc/68/43/29/413684329.db2.gz UMZNMJMSXUFOMW-FZMZJTMJSA-N 2 0 279.384 1.075 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407271334 413916590 /nfs/dbraw/zinc/91/65/90/413916590.db2.gz PMKCZKJPDNHYBP-FPMFFAJLSA-N 2 0 267.417 1.364 10 0 CDAERP C[C@H](NC(=O)N[C@@H]1CCC[C@H]([NH3+])C1)c1nccn1C ZINC000659534897 413937506 /nfs/dbraw/zinc/93/75/06/413937506.db2.gz BUERXBAASQABOU-GARJFASQSA-N 2 0 265.361 1.050 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)C1 ZINC000407359489 413941575 /nfs/dbraw/zinc/94/15/75/413941575.db2.gz GSCHSYCEOJIOIT-RBSFLKMASA-N 2 0 279.428 1.460 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1)C[NH+]1CCCC1 ZINC000407371376 413946333 /nfs/dbraw/zinc/94/63/33/413946333.db2.gz MHVLZLKWBWQXTE-SNPRPXQTSA-N 2 0 279.428 1.365 10 0 CDAERP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]CC23CC(C2)C[NH2+]3)C1 ZINC000665279368 414013796 /nfs/dbraw/zinc/01/37/96/414013796.db2.gz BBCLXPDNGVMFNU-IQXANGCESA-N 2 0 274.412 1.788 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCc1noc2ccccc12 ZINC000665232721 413958712 /nfs/dbraw/zinc/95/87/12/413958712.db2.gz SDWWWEVCNYSUEE-GFCCVEGCSA-N 2 0 277.368 1.714 10 0 CDAERP C[NH+](C)C1CCN([C@@H](CC[NH3+])C(F)(F)F)CC1 ZINC000037178761 173011959 /nfs/dbraw/zinc/01/19/59/173011959.db2.gz GCQYUJMXNKYPTF-JTQLQIEISA-N 2 0 253.312 1.292 10 0 CDAERP C[C@H]1CCC[C@H](C)C1[NH2+]CCN1CC[NH+](C)CC1 ZINC000037496867 173235390 /nfs/dbraw/zinc/23/53/90/173235390.db2.gz PNMTUESOYKPMMR-KBPBESRZSA-N 2 0 253.434 1.648 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)NCc2ccc3c[nH+]cn3c2)C1 ZINC000655131722 414082222 /nfs/dbraw/zinc/08/22/22/414082222.db2.gz KKPWNKRQDYCBRH-ZDUSSCGKSA-N 2 0 287.367 1.228 10 0 CDAERP CC[C@H]1C[C@H]([NH2+]CCCC[NH+]2CCN(C)CC2)CO1 ZINC000657308663 414148316 /nfs/dbraw/zinc/14/83/16/414148316.db2.gz WPJQUMYAKCGSLP-GJZGRUSLSA-N 2 0 269.433 1.171 10 0 CDAERP CCCN(C(=O)C[NH+]1CC[C@H](C)C1)[C@H]1CC[N@H+](C)C1 ZINC000655157406 414124638 /nfs/dbraw/zinc/12/46/38/414124638.db2.gz CFELTZZFYGSDBD-KBPBESRZSA-N 2 0 267.417 1.271 10 0 CDAERP COC[C@H](C[N@H+](C)C1CC[NH+](C(C)C)CC1)OC ZINC000659865948 414196540 /nfs/dbraw/zinc/19/65/40/414196540.db2.gz DAHKBCKLOJZFHT-AWEZNQCLSA-N 2 0 258.406 1.452 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)C1 ZINC000655805188 414198928 /nfs/dbraw/zinc/19/89/28/414198928.db2.gz KJXOCASKLYSLLD-RFQIPJPRSA-N 2 0 288.457 1.272 10 0 CDAERP Cc1c(NC[C@@H](C)[NH+](C)C)ncnc1NC[C@@H](C)[NH+](C)C ZINC000663439703 414254931 /nfs/dbraw/zinc/25/49/31/414254931.db2.gz UUMOJFWXTKHQRP-VXGBXAGGSA-N 2 0 294.447 1.509 10 0 CDAERP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cnn2c1CCC2 ZINC000657389549 414273462 /nfs/dbraw/zinc/27/34/62/414273462.db2.gz LHZQEQCIRMAGHD-AWEZNQCLSA-N 2 0 280.416 1.276 10 0 CDAERP [NH3+]CCC1CCN(Cc2nc3c(s2)C[NH2+]CC3)CC1 ZINC000663497407 414298836 /nfs/dbraw/zinc/29/88/36/414298836.db2.gz NRCXQJWHZCIJQG-UHFFFAOYSA-N 2 0 280.441 1.350 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCCSC2)CC1 ZINC000663506151 414305713 /nfs/dbraw/zinc/30/57/13/414305713.db2.gz QQNNJQSWJHBMJO-CQSZACIVSA-N 2 0 299.484 1.462 10 0 CDAERP C[NH+](C)CCC[C@H]1CN(C[C@@]2(C)CC[NH2+]C2)CCO1 ZINC000663509917 414314186 /nfs/dbraw/zinc/31/41/86/414314186.db2.gz BKKQTVWKVGZXAP-GJZGRUSLSA-N 2 0 269.433 1.029 10 0 CDAERP C1=C(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)COCC1 ZINC000657535622 414420030 /nfs/dbraw/zinc/42/00/30/414420030.db2.gz QFRVCAXXFGLJLE-UHFFFAOYSA-N 2 0 294.439 1.814 10 0 CDAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H]3COC[C@H]3C2)CC1 ZINC000662030048 414476234 /nfs/dbraw/zinc/47/62/34/414476234.db2.gz CTCWOALAZOLPHU-IAGOWNOFSA-N 2 0 295.471 1.371 10 0 CDAERP Cc1cccc(OCC[N@@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662248762 414585637 /nfs/dbraw/zinc/58/56/37/414585637.db2.gz JERXJLDNOUOISL-MRXNPFEDSA-N 2 0 290.407 1.827 10 0 CDAERP C[C@@H](C1CC1)[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662252733 414588580 /nfs/dbraw/zinc/58/85/80/414588580.db2.gz SNCPTHNJAIROOZ-FZMZJTMJSA-N 2 0 250.386 1.770 10 0 CDAERP O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2Cc1cccc2c1CC[NH2+]C2 ZINC000662257682 414591608 /nfs/dbraw/zinc/59/16/08/414591608.db2.gz RJGPDZKNFRGCOX-CABCVRRESA-N 2 0 285.391 1.185 10 0 CDAERP Cc1cccc(C[NH+]2CCN(C[C@@H]3C[NH2+]CCO3)CC2)c1 ZINC000662259171 414594377 /nfs/dbraw/zinc/59/43/77/414594377.db2.gz RFGIOCMQCVYCRZ-KRWDZBQOSA-N 2 0 289.423 1.101 10 0 CDAERP c1cc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c2c(c1)C[NH2+]CC2 ZINC000662314663 414633315 /nfs/dbraw/zinc/63/33/15/414633315.db2.gz AJJAWEPYYHEIEQ-CVEARBPZSA-N 2 0 272.392 1.801 10 0 CDAERP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@](C)(c2cccc(OC)c2)C1 ZINC000662310627 414631052 /nfs/dbraw/zinc/63/10/52/414631052.db2.gz LWHBABXBNDVHKQ-DLBZAZTESA-N 2 0 292.423 1.629 10 0 CDAERP c1ccc(C[N@@H+]2CCC[C@H](N3CCC[NH2+]CC3)C2)cc1 ZINC000038087034 174098392 /nfs/dbraw/zinc/09/83/92/174098392.db2.gz OJDBMQJIUFUMOU-KRWDZBQOSA-N 2 0 273.424 1.946 10 0 CDAERP CC[NH+]1CCC(NC(=O)CCC[NH2+]C(C)C)CC1 ZINC000038098281 174113602 /nfs/dbraw/zinc/11/36/02/174113602.db2.gz BAUJJDKWXDDTLU-UHFFFAOYSA-N 2 0 255.406 1.365 10 0 CDAERP C[NH+](C)CCC[C@@H]1C[N@@H+]([C@@H]2CCCC[C@H]2O)CCO1 ZINC000662321801 414640060 /nfs/dbraw/zinc/64/00/60/414640060.db2.gz JMHNYVRMNHTSAJ-RBSFLKMASA-N 2 0 270.417 1.333 10 0 CDAERP CC[C@@H](C)[C@H](C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508185 174303636 /nfs/dbraw/zinc/30/36/36/174303636.db2.gz GGQLYDALQHETCG-HZSPNIEDSA-N 2 0 267.417 1.317 10 0 CDAERP CCC[NH2+]C[C@H](O)CN1CCC([NH+]2CCCCC2)CC1 ZINC000040693895 174377782 /nfs/dbraw/zinc/37/77/82/174377782.db2.gz PXTNALDIZSHMGL-INIZCTEOSA-N 2 0 283.460 1.297 10 0 CDAERP CCC[N@H+](CCC(=O)OC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748652 174394141 /nfs/dbraw/zinc/39/41/41/174394141.db2.gz XGGHXJUMWXNWTJ-FUNVUKJBSA-N 2 0 254.374 1.545 10 0 CDAERP CC[C@H]([NH3+])[C@H](c1ccncc1)N1CCC([NH+](C)C)CC1 ZINC000043353693 175020985 /nfs/dbraw/zinc/02/09/85/175020985.db2.gz YRZNFKJFXMBVBR-HOTGVXAUSA-N 2 0 276.428 1.886 10 0 CDAERP C[C@H]([NH3+])[C@H](N1CCC([NH+](C)C)CC1)C(F)(F)F ZINC000043377607 175030049 /nfs/dbraw/zinc/03/00/49/175030049.db2.gz VDYFTGKXWBXXQR-WPRPVWTQSA-N 2 0 253.312 1.291 10 0 CDAERP CCC[NH+]1CCN([C@@H]2CCCCC[C@H]2[NH2+]C)CC1 ZINC000043805242 175107698 /nfs/dbraw/zinc/10/76/98/175107698.db2.gz ULURHGFBARLOPM-HUUCEWRRSA-N 2 0 253.434 1.935 10 0 CDAERP CC[NH2+][C@H]1c2ccccc2OC[C@H]1N1CC[NH+](CC)CC1 ZINC000043806103 175108477 /nfs/dbraw/zinc/10/84/77/175108477.db2.gz CBWCKMCQLYUJNL-WBVHZDCISA-N 2 0 289.423 1.736 10 0 CDAERP C[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccc(OC)c(OC)c1 ZINC000043810558 175109321 /nfs/dbraw/zinc/10/93/21/175109321.db2.gz NPLGVRIHSPZGLI-CQSZACIVSA-N 2 0 293.411 1.212 10 0 CDAERP CC[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000043810753 175110060 /nfs/dbraw/zinc/11/00/60/175110060.db2.gz ULNMLBSTGCGAGY-INIZCTEOSA-N 2 0 277.412 1.593 10 0 CDAERP CC[NH2+][C@H]1c2ccccc2C[C@@H]1N1CC[NH+](C)CC1 ZINC000043810759 175110267 /nfs/dbraw/zinc/11/02/67/175110267.db2.gz DSBHRXZNPJHSSJ-HOTGVXAUSA-N 2 0 259.397 1.509 10 0 CDAERP CC[NH2+][C@@H]1CCCC[C@@H]1N1CC[NH+](CC2CC2)CC1 ZINC000043967964 175129010 /nfs/dbraw/zinc/12/90/10/175129010.db2.gz FLMFBOVUVARBPQ-CVEARBPZSA-N 2 0 265.445 1.935 10 0 CDAERP CCC[NH+]1CCN([C@@H](c2ccco2)[C@H](C)[NH3+])CC1 ZINC000044419006 175173214 /nfs/dbraw/zinc/17/32/14/175173214.db2.gz FROUEXDJKOCGNS-GXTWGEPZSA-N 2 0 251.374 1.696 10 0 CDAERP O[C@@H](C[NH2+][C@@H]1C[C@@H]1c1ccccc1)C[NH+]1CCCC1 ZINC000044425948 175174613 /nfs/dbraw/zinc/17/46/13/175174613.db2.gz SNANKNXCEZNHJK-ARFHVFGLSA-N 2 0 260.381 1.589 10 0 CDAERP CC[C@H](C)N1C(=O)C[C@@H]([NH2+]CC2CC[NH+](CC)CC2)C1=O ZINC000044517986 175190945 /nfs/dbraw/zinc/19/09/45/175190945.db2.gz KZDFMNONMVKUDK-GXTWGEPZSA-N 2 0 295.427 1.234 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H](C)CN([C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000044678657 175227884 /nfs/dbraw/zinc/22/78/84/175227884.db2.gz CXPZMFMKVRZRJS-VNHYZAJKSA-N 2 0 251.418 1.401 10 0 CDAERP [NH3+][C@H](CCN[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000044679498 175228702 /nfs/dbraw/zinc/22/87/02/175228702.db2.gz RLPYVBYBWWWWHW-GDBMZVCRSA-N 2 0 259.397 1.903 10 0 CDAERP C[C@@H](C[NH+]1CCCC1)NC(=O)C1(C[NH3+])CCCCC1 ZINC000044763641 175247471 /nfs/dbraw/zinc/24/74/71/175247471.db2.gz HPIUWDSNGZYEIP-ZDUSSCGKSA-N 2 0 267.417 1.496 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)C1(C[NH3+])CCCCC1 ZINC000044764252 175248081 /nfs/dbraw/zinc/24/80/81/175248081.db2.gz PZHDPCSHLJOMEZ-UHFFFAOYSA-N 2 0 283.460 1.942 10 0 CDAERP CC[C@@H](C[NH3+])C(=O)N[C@H](C)CCC[NH+](CC)CC ZINC000044798908 175255191 /nfs/dbraw/zinc/25/51/91/175255191.db2.gz WPCOSOBZYUOPIR-OLZOCXBDSA-N 2 0 257.422 1.598 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)[C@H](C[NH3+])Cc1ccccc1 ZINC000044806569 175256324 /nfs/dbraw/zinc/25/63/24/175256324.db2.gz MSJKUMTZOQIPGJ-HIFRSBDPSA-N 2 0 277.412 1.260 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCCC[C@@H]2O)C1 ZINC000045134660 175312311 /nfs/dbraw/zinc/31/23/11/175312311.db2.gz PJSIUQGOUIHMDB-KFWWJZLASA-N 2 0 254.418 2.000 10 0 CDAERP CCCC[N@H+](CC)CCC[C@](C)([NH2+]C1CC1)C(N)=O ZINC000045370790 175364333 /nfs/dbraw/zinc/36/43/33/175364333.db2.gz HZNLOTCHDGJHOS-HNNXBMFYSA-N 2 0 269.433 1.885 10 0 CDAERP C[C@]([NH3+])(CCCC[N@@H+]1CCc2ccccc2C1)C(N)=O ZINC000045378762 175368558 /nfs/dbraw/zinc/36/85/58/175368558.db2.gz FODKWZGZELFTNR-INIZCTEOSA-N 2 0 275.396 1.418 10 0 CDAERP CC(C)[NH2+][C@](C)(CCC[N@H+](C)CC1CC1)C(N)=O ZINC000045419978 175378038 /nfs/dbraw/zinc/37/80/38/175378038.db2.gz HHXZPCHAIMPXNO-CQSZACIVSA-N 2 0 255.406 1.350 10 0 CDAERP C[C@]([NH3+])(CCC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(N)=O ZINC000045419344 175378218 /nfs/dbraw/zinc/37/82/18/175378218.db2.gz GMINPAQSLJYUON-GUTXKFCHSA-N 2 0 267.417 1.481 10 0 CDAERP CCC[NH2+][C@](C)(CO)CCN(C)C1CC[NH+](CC)CC1 ZINC000070514531 175963672 /nfs/dbraw/zinc/96/36/72/175963672.db2.gz SIKHMAYNGVTZOX-INIZCTEOSA-N 2 0 285.476 1.543 10 0 CDAERP CC[NH+]1CCC(N(C)C[C@@](CO)([NH2+]C(C)C)C2CC2)CC1 ZINC000070514516 175963992 /nfs/dbraw/zinc/96/39/92/175963992.db2.gz WVKXNNVISKNZPM-KRWDZBQOSA-N 2 0 297.487 1.542 10 0 CDAERP CCC[NH+]1CCC(N2CC[C@@H]([NH2+]C(C)C)C2=O)CC1 ZINC000071032022 176022941 /nfs/dbraw/zinc/02/29/41/176022941.db2.gz GWZFKEFGXPWUAU-CQSZACIVSA-N 2 0 267.417 1.460 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)N1CC[C@H]([NH2+]C(C)C)C1=O ZINC000071031970 176023068 /nfs/dbraw/zinc/02/30/68/176023068.db2.gz HXMKIWFYNDTOHZ-KGLIPLIRSA-N 2 0 269.433 1.562 10 0 CDAERP CC[NH2+][C@@H]1CCCN(CCC[NH+](CC)CC)C1=O ZINC000071033351 176023402 /nfs/dbraw/zinc/02/34/02/176023402.db2.gz RFIHZXXLHIXCLO-CYBMUJFWSA-N 2 0 255.406 1.319 10 0 CDAERP CC(C)[NH2+][C@H]1CCCN(C[C@@H]2CCCC[N@@H+]2C)C1=O ZINC000071033675 176024111 /nfs/dbraw/zinc/02/41/11/176024111.db2.gz NPKPQCXBRMODBA-KBPBESRZSA-N 2 0 267.417 1.460 10 0 CDAERP CC(C)[NH2+][C@H]1CCCN([C@@H](C)C[NH+]2CCCCC2)C1=O ZINC000071037391 176025808 /nfs/dbraw/zinc/02/58/08/176025808.db2.gz XVPKNMMNGNWSFA-GJZGRUSLSA-N 2 0 281.444 1.850 10 0 CDAERP CCC[NH2+][C@@H]1CCN([C@@H](C)C[NH+]2CCCCC2)C1=O ZINC000071037381 176025948 /nfs/dbraw/zinc/02/59/48/176025948.db2.gz ZHJNKOBTZVLVCY-UONOGXRCSA-N 2 0 267.417 1.461 10 0 CDAERP CC[NH2+][C@@H]1CCCN(CC2CC[NH+](CC)CC2)C1=O ZINC000071036466 176026230 /nfs/dbraw/zinc/02/62/30/176026230.db2.gz HCYUPBUPKIIGIF-CQSZACIVSA-N 2 0 267.417 1.319 10 0 CDAERP CC[NH+](CC)CCC[C@H](C)N1CC[C@H]([NH2+]C)C1=O ZINC000071038061 176026599 /nfs/dbraw/zinc/02/65/99/176026599.db2.gz MBDKFKVPDONGDG-STQMWFEESA-N 2 0 255.406 1.317 10 0 CDAERP CC[C@@H]1CCCC[C@@]1(C[NH3+])N1CCN(CC[NH+](C)C)CC1 ZINC000071162132 176046721 /nfs/dbraw/zinc/04/67/21/176046721.db2.gz RJGGSQNOAMILHL-SJORKVTESA-N 2 0 296.503 1.463 10 0 CDAERP COc1ccccc1[C@@H]([C@@H](C)[NH3+])N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188043 176061912 /nfs/dbraw/zinc/06/19/12/176061912.db2.gz QTJRVJYSFCSZFP-CKEIUWERSA-N 2 0 291.439 1.967 10 0 CDAERP C[C@H]([C@H]([NH3+])c1ccccc1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188739 176063738 /nfs/dbraw/zinc/06/37/38/176063738.db2.gz VRYPPXZXXXNQMH-FMKPAKJESA-N 2 0 261.413 1.958 10 0 CDAERP C[C@H]([C@H](O)c1ccccc1)[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190670 176068311 /nfs/dbraw/zinc/06/83/11/176068311.db2.gz RVYJKOUGUXKHGK-FMKPAKJESA-N 2 0 262.397 1.992 10 0 CDAERP CC[NH2+]CC1(CN(C)C[C@@H]2CC[N@H+](C)C2)CCOCC1 ZINC000071191278 176070061 /nfs/dbraw/zinc/07/00/61/176070061.db2.gz ZPKORRHUFUFIKK-OAHLLOKOSA-N 2 0 283.460 1.276 10 0 CDAERP CC[C@@H](C[NH2+]CC(C)C)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191996 176072622 /nfs/dbraw/zinc/07/26/22/176072622.db2.gz AGEJYHCLZFZHMY-CABCVRRESA-N 2 0 255.450 1.894 10 0 CDAERP CC(C)[N@H+](CCO)Cc1ccc(F)cc1C(N)=[NH2+] ZINC000071267871 176101677 /nfs/dbraw/zinc/10/16/77/176101677.db2.gz APNABNAVAFIRKG-UHFFFAOYSA-N 2 0 253.321 1.312 10 0 CDAERP C[C@@H]([NH3+])[C@H](c1cccs1)N1CC[NH+](CC(C)(C)O)CC1 ZINC000071380224 176143999 /nfs/dbraw/zinc/14/39/99/176143999.db2.gz SMDGXNQGUOGMNU-TZMCWYRMSA-N 2 0 297.468 1.525 10 0 CDAERP CC(C)(C)[C@@H]([NH3+])CCN1CC[NH+](CC(C)(C)O)CC1 ZINC000071381831 176145797 /nfs/dbraw/zinc/14/57/97/176145797.db2.gz RDXRFHJOTATSEK-ZDUSSCGKSA-N 2 0 271.449 1.138 10 0 CDAERP COc1ccc(C2(C[NH3+])CC[NH2+]CC2)cc1OC ZINC000071572495 176198308 /nfs/dbraw/zinc/19/83/08/176198308.db2.gz GEMQXNBACLEECB-UHFFFAOYSA-N 2 0 250.342 1.284 10 0 CDAERP COc1cccc(CC[N@@H+]2CCO[C@@H](CC[NH3+])C2)c1 ZINC000071596997 176220199 /nfs/dbraw/zinc/22/01/99/176220199.db2.gz RTVGYWQEOMUAJS-HNNXBMFYSA-N 2 0 264.369 1.287 10 0 CDAERP CC(C)OCCC[NH+]1CCC(N2CC[NH2+]CC2)CC1 ZINC000071600849 176227019 /nfs/dbraw/zinc/22/70/19/176227019.db2.gz SPWVIJKSXCUQOV-UHFFFAOYSA-N 2 0 269.433 1.171 10 0 CDAERP CCC[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC)C1)[NH+](C)C ZINC000179592041 260056821 /nfs/dbraw/zinc/05/68/21/260056821.db2.gz UKYFLUTZQMIOLV-OLZOCXBDSA-N 2 0 255.406 1.317 10 0 CDAERP CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000188893278 262331539 /nfs/dbraw/zinc/33/15/39/262331539.db2.gz MJYXGJQAXULYEV-OAHLLOKOSA-N 2 0 298.475 1.844 10 0 CDAERP O=C(CC[NH2+]C1CC1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000655450229 423877284 /nfs/dbraw/zinc/87/72/84/423877284.db2.gz GYRZEDVAGULBSZ-OCCSQVGLSA-N 2 0 265.401 1.119 10 0 CDAERP CCC[NH2+][C@H](C)C(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000653260073 423825600 /nfs/dbraw/zinc/82/56/00/423825600.db2.gz BYNVOVDXKCSWQD-BARDWOONSA-N 2 0 297.443 1.262 10 0 CDAERP CCO[C@@H]1C[N@H+](C[C@@H](OC)C2CCC2)C[C@H]1C[NH3+] ZINC000662285529 423908323 /nfs/dbraw/zinc/90/83/23/423908323.db2.gz KXAJDNARJTZBGU-MGPQQGTHSA-N 2 0 256.390 1.097 10 0 CDAERP CN(CC[C@H]1CCC[NH2+]C1)[C@@H](C[NH3+])C(F)(F)F ZINC000662330988 423968357 /nfs/dbraw/zinc/96/83/57/423968357.db2.gz DLRGMJMRZDGSCQ-ZJUUUORDSA-N 2 0 253.312 1.198 10 0 CDAERP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NCCC1CC[NH2+]CC1 ZINC000653268580 423986047 /nfs/dbraw/zinc/98/60/47/423986047.db2.gz UBUHVNHBNWDGSX-HUUCEWRRSA-N 2 0 281.444 1.790 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000652217088 424072264 /nfs/dbraw/zinc/07/22/64/424072264.db2.gz OJZXBBBZZIMNFV-WFASDCNBSA-N 2 0 290.411 1.346 10 0 CDAERP C[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)[NH+](C)C ZINC000661274632 424122087 /nfs/dbraw/zinc/12/20/87/424122087.db2.gz HVDQYOORBIHZOS-RYUDHWBXSA-N 2 0 270.421 1.109 10 0 CDAERP CCN1C[C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CC1=O ZINC000652299889 424204556 /nfs/dbraw/zinc/20/45/56/424204556.db2.gz RLFFXIZWUYUMJM-BYNSBNAKSA-N 2 0 279.428 1.317 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1CC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000653116918 424298158 /nfs/dbraw/zinc/29/81/58/424298158.db2.gz YKHLRKPXZUSLNC-SMDDNHRTSA-N 2 0 285.351 1.723 10 0 CDAERP CCO[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)C[C@H]1C[NH3+] ZINC000652355837 424298189 /nfs/dbraw/zinc/29/81/89/424298189.db2.gz JNGFJVRZIXSMII-HZSPNIEDSA-N 2 0 256.390 1.241 10 0 CDAERP C[NH2+]C[C@](C)(O)C[N@@H+]1CCc2ccccc2[C@H](C)C1 ZINC000652358764 424310725 /nfs/dbraw/zinc/31/07/25/424310725.db2.gz ZBUOWKPMBXGYGO-CJNGLKHVSA-N 2 0 262.397 1.619 10 0 CDAERP CC[C@H]([NH2+]C)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000662685205 424314016 /nfs/dbraw/zinc/31/40/16/424314016.db2.gz QBHKSNBXVVBIAU-KBPBESRZSA-N 2 0 277.368 1.284 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653150529 424379603 /nfs/dbraw/zinc/37/96/03/424379603.db2.gz FAAPTGQIQHYMAE-NWANDNLSSA-N 2 0 281.444 1.754 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)NCC[NH+]1CCCC1 ZINC000070541700 424412623 /nfs/dbraw/zinc/41/26/23/424412623.db2.gz UAWJURZCHVVVRS-UHFFFAOYSA-N 2 0 261.369 1.013 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000659292471 424481686 /nfs/dbraw/zinc/48/16/86/424481686.db2.gz PZBLVBRQBPPUHK-MJBXVCDLSA-N 2 0 285.432 1.118 10 0 CDAERP O=C(c1cccc2c1CC[NH2+]C2)N1CCC2(CC[NH2+]2)CC1 ZINC000662818083 424506475 /nfs/dbraw/zinc/50/64/75/424506475.db2.gz OIHVHFGXBBACJB-UHFFFAOYSA-N 2 0 285.391 1.300 10 0 CDAERP C(CC[NH+]1CCOCC1)C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000121248496 424456948 /nfs/dbraw/zinc/45/69/48/424456948.db2.gz UHDZPJYNNVHAID-JYJNAYRXSA-N 2 0 294.439 1.646 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2c[nH+]ccc2N)C1 ZINC000662844857 424523702 /nfs/dbraw/zinc/52/37/02/424523702.db2.gz BQRWZTYGIOOOIB-NSHDSACASA-N 2 0 276.384 1.344 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)NCC1([NH3+])CCCC1 ZINC000662863330 424531605 /nfs/dbraw/zinc/53/16/05/424531605.db2.gz OJKHYPQSONEYAZ-NSHDSACASA-N 2 0 253.390 1.152 10 0 CDAERP CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)C(C)C ZINC001667399779 1173262549 /nfs/dbraw/zinc/26/25/49/1173262549.db2.gz CSTUZLSLLVUEHC-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001667507613 1173276774 /nfs/dbraw/zinc/27/67/74/1173276774.db2.gz BLFCADOAIQDKIS-ZDUSSCGKSA-N 2 0 267.417 1.221 10 0 CDAERP CC[NH+](CC)CCCNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173312882 270245282 /nfs/dbraw/zinc/24/52/82/270245282.db2.gz FPDCTNVGPORYPA-HUUCEWRRSA-N 2 0 298.475 1.842 10 0 CDAERP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)C2C[NH2+]C2)cc1 ZINC000262266040 276056237 /nfs/dbraw/zinc/05/62/37/276056237.db2.gz SBSXZDUUYIUXQQ-AWEZNQCLSA-N 2 0 261.369 1.145 10 0 CDAERP CCNC(=O)C1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CCC1 ZINC000367639682 276255783 /nfs/dbraw/zinc/25/57/83/276255783.db2.gz WOVAOUHFFRACMW-RRFJBIMHSA-N 2 0 293.455 1.755 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000345269825 276374285 /nfs/dbraw/zinc/37/42/85/276374285.db2.gz GWDVSOLJRHIXCQ-IHRRRGAJSA-N 2 0 267.417 1.460 10 0 CDAERP COC(=O)C1(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000450594129 277049472 /nfs/dbraw/zinc/04/94/72/277049472.db2.gz CHEKIJRIAMDNDN-HIFRSBDPSA-N 2 0 292.423 1.888 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](Cn2cncn2)C1 ZINC000163464334 277060794 /nfs/dbraw/zinc/06/07/94/277060794.db2.gz FONCMWQMYKZDJN-LSDHHAIUSA-N 2 0 277.416 1.474 10 0 CDAERP COC(=O)c1ccc(C[NH2+]CCCC[NH+](C)C)cc1 ZINC000045663293 277158995 /nfs/dbraw/zinc/15/89/95/277158995.db2.gz CWRFNSWNXLMTSQ-UHFFFAOYSA-N 2 0 264.369 1.905 10 0 CDAERP CN1CC[C@H](C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1=O ZINC000424378407 277163165 /nfs/dbraw/zinc/16/31/65/277163165.db2.gz NSIDJRNJTKFYOT-NILFDRSVSA-N 2 0 273.380 1.589 10 0 CDAERP CC(C)(C)NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063199720 277165611 /nfs/dbraw/zinc/16/56/11/277165611.db2.gz WUXBCRUJTJWVRX-ZDUSSCGKSA-N 2 0 267.417 1.365 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(CCCO)C2)[C@@H]2CCC[C@H]21 ZINC000453286012 277172615 /nfs/dbraw/zinc/17/26/15/277172615.db2.gz ILQKRDWDFIXISN-LTIDMASMSA-N 2 0 295.471 1.296 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)CCO1 ZINC000429016019 278011826 /nfs/dbraw/zinc/01/18/26/278011826.db2.gz AJHDMFPCWWSQMB-RBSFLKMASA-N 2 0 252.402 1.829 10 0 CDAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000414929745 278216638 /nfs/dbraw/zinc/21/66/38/278216638.db2.gz OKPHKXAHVQVHIL-APIJFGDWSA-N 2 0 253.434 1.885 10 0 CDAERP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)C1CCSCC1 ZINC000187049995 278260726 /nfs/dbraw/zinc/26/07/26/278260726.db2.gz FLHPKFUVEAQUQC-DZGCQCFKSA-N 2 0 286.485 1.955 10 0 CDAERP CC(C)C[C@H](C[NH3+])NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000418417847 279137104 /nfs/dbraw/zinc/13/71/04/279137104.db2.gz VWJGYOKAPPBTMD-MJBXVCDLSA-N 2 0 284.448 1.484 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247535544 279158019 /nfs/dbraw/zinc/15/80/19/279158019.db2.gz XXZNCWMMFXMWID-KFWWJZLASA-N 2 0 296.459 1.595 10 0 CDAERP CC[N@H+](CCN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@H]21)C1CC1 ZINC000367601757 279207186 /nfs/dbraw/zinc/20/71/86/279207186.db2.gz PFHYUPNXRJPCOF-ARFHVFGLSA-N 2 0 265.445 1.933 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CC[C@H]1CCCC[NH+]1C ZINC000354821544 288115483 /nfs/dbraw/zinc/11/54/83/288115483.db2.gz XAQBQHGZYZVTSO-FMKPAKJESA-N 2 0 293.455 1.850 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1COc2ccc(F)cc2C1 ZINC000423124939 279370833 /nfs/dbraw/zinc/37/08/33/279370833.db2.gz PKKNFMNGHNZFRS-OPQQBVKSSA-N 2 0 252.333 1.845 10 0 CDAERP O=C([C@@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1)N1CCCC1 ZINC000334318860 280084502 /nfs/dbraw/zinc/08/45/02/280084502.db2.gz XBPYTMLEUULJTP-LSDHHAIUSA-N 2 0 279.428 1.320 10 0 CDAERP CC(C)[N@H+](C)CC1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000227798533 280106867 /nfs/dbraw/zinc/10/68/67/280106867.db2.gz LMEJYNMBSUILDK-LSDHHAIUSA-N 2 0 281.444 1.693 10 0 CDAERP CC(C)[C@H](C(=O)N1CCC2(CC[NH2+]2)CC1)[NH+]1CCCCC1 ZINC000335604645 280143463 /nfs/dbraw/zinc/14/34/63/280143463.db2.gz OWUHJPSQZXERSX-OAHLLOKOSA-N 2 0 293.455 1.851 10 0 CDAERP CC[C@H](c1ccc(O)cc1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031065 281019655 /nfs/dbraw/zinc/01/96/55/281019655.db2.gz UXTRUULHIDBLSU-OAHLLOKOSA-N 2 0 291.395 1.207 10 0 CDAERP CN(CC[NH+](C)C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000176420536 289128780 /nfs/dbraw/zinc/12/87/80/289128780.db2.gz IWFOHVAZUVCXCK-AGUYFDCRSA-N 2 0 282.432 1.205 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000087619341 289191960 /nfs/dbraw/zinc/19/19/60/289191960.db2.gz HACQYGLMEYUKOY-HOCLYGCPSA-N 2 0 287.407 1.426 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)[C@H]1CC[C@@H]([NH3+])C1)C1CCCCC1 ZINC000237200558 289362171 /nfs/dbraw/zinc/36/21/71/289362171.db2.gz SDKGYTLTFWQCNU-RRFJBIMHSA-N 2 0 281.444 1.741 10 0 CDAERP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000262464051 289779413 /nfs/dbraw/zinc/77/94/13/289779413.db2.gz WVAPENQFEVBXPJ-JARUQAPTSA-N 2 0 279.428 1.493 10 0 CDAERP C[NH+](C)CC1(CNC(=O)CN2CC(C)(C)C2)CCCC1 ZINC000553221642 290104045 /nfs/dbraw/zinc/10/40/45/290104045.db2.gz KXPNKABYINCQTC-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP C[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH2+]C2)[C@@H]2CCC[C@H]21 ZINC000423214971 290220025 /nfs/dbraw/zinc/22/00/25/290220025.db2.gz PXDNYEOYYVOAOJ-CBBWQLFWSA-N 2 0 251.418 1.448 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC000556936309 290316832 /nfs/dbraw/zinc/31/68/32/290316832.db2.gz LYDUGQUVFJHZTL-ZDUSSCGKSA-N 2 0 255.406 1.319 10 0 CDAERP Cc1nn2c(C[NH2+]CC[C@@H]3CCC[NH2+]C3)c(C)nc2s1 ZINC000556934090 290317095 /nfs/dbraw/zinc/31/70/95/290317095.db2.gz ITXFWQIGDJRVAD-LBPRGKRZSA-N 2 0 293.440 1.887 10 0 CDAERP CNC(=O)C(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000368620284 290346148 /nfs/dbraw/zinc/34/61/48/290346148.db2.gz XWBQIJJWSGFZKF-UPJWGTAASA-N 2 0 267.417 1.221 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1[C@@H](C)[C@@H](OC)C1(C)C ZINC000423019787 293097720 /nfs/dbraw/zinc/09/77/20/293097720.db2.gz XEJQUVRUMABEMV-YVECIDJPSA-N 2 0 258.406 1.389 10 0 CDAERP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000562958614 293226341 /nfs/dbraw/zinc/22/63/41/293226341.db2.gz CKOGUNFNBSYGKQ-UKRRQHHQSA-N 3 0 253.434 1.696 10 0 CDAERP O[C@@H](C[NH2+]Cc1ccc2c[nH+]cn2c1)C(F)(F)F ZINC000563000439 293240020 /nfs/dbraw/zinc/24/00/20/293240020.db2.gz MDAZNVBORLPSQC-JTQLQIEISA-N 2 0 259.231 1.347 10 0 CDAERP C[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000563198366 293307269 /nfs/dbraw/zinc/30/72/69/293307269.db2.gz UKBDEICMBKKLQC-SWLSCSKDSA-N 2 0 293.386 1.326 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)[C@H]2C[C@]23CC[NH2+]C3)cc1 ZINC000568264788 294003999 /nfs/dbraw/zinc/00/39/99/294003999.db2.gz WFZKUWVWJNGZEH-PEYYIBSZSA-N 2 0 273.380 1.322 10 0 CDAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000568392203 294027339 /nfs/dbraw/zinc/02/73/39/294027339.db2.gz LEONUFUZSKPTCT-SWLSCSKDSA-N 2 0 275.396 1.476 10 0 CDAERP CCC[N@@H+]1CC[C@H](CN[C@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000570832408 294319263 /nfs/dbraw/zinc/31/92/63/294319263.db2.gz RTVIZOBSTYWLBL-KFWWJZLASA-N 2 0 253.434 1.696 10 0 CDAERP C[C@@]1(C[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)CC[NH2+]C1 ZINC000572038497 294546622 /nfs/dbraw/zinc/54/66/22/294546622.db2.gz KDANOJHRVZKYLG-OAHLLOKOSA-N 2 0 296.436 1.320 10 0 CDAERP CC(C)C[C@@H]([NH3+])c1noc([C@@H]2CC23CC[NH2+]CC3)n1 ZINC000573119580 294757748 /nfs/dbraw/zinc/75/77/48/294757748.db2.gz DKCWHASKMXYMKB-WDEREUQCSA-N 2 0 264.373 1.973 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C[N@@H+]1C1CC1 ZINC000574491580 295007590 /nfs/dbraw/zinc/00/75/90/295007590.db2.gz KPQBVSAQNGAUNK-RFQIPJPRSA-N 2 0 279.428 1.458 10 0 CDAERP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCNC[C@@H]1C(F)F ZINC000575047207 295091465 /nfs/dbraw/zinc/09/14/65/295091465.db2.gz IJHIOGUNKRTFJM-NXEZZACHSA-N 2 0 277.359 1.076 10 0 CDAERP COc1ccc([C@H](NCC2C[NH2+]C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423339228 295244452 /nfs/dbraw/zinc/24/44/52/295244452.db2.gz ZJUPBYSLNFCRSU-HOTGVXAUSA-N 2 0 275.396 1.297 10 0 CDAERP [NH3+]Cc1ccc2c(c1)CCCN2C(=O)C1CC[NH2+]CC1 ZINC000361765403 295278914 /nfs/dbraw/zinc/27/89/14/295278914.db2.gz ZPABOZYPSFMDQJ-UHFFFAOYSA-N 2 0 273.380 1.424 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000418597801 297106057 /nfs/dbraw/zinc/10/60/57/297106057.db2.gz PZBYSDXYLZKYKX-KFWWJZLASA-N 2 0 294.443 1.254 10 0 CDAERP [NH3+]C[C@H](C(=O)N1CC[C@]2(CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000334568645 303414203 /nfs/dbraw/zinc/41/42/03/303414203.db2.gz HWMARIHAYZURHL-HOCLYGCPSA-N 2 0 291.370 1.080 10 0 CDAERP CCCCC[N@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001669872458 1173622724 /nfs/dbraw/zinc/62/27/24/1173622724.db2.gz FUBNPZICGQGETN-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C1CCCC1 ZINC001671564320 1173690165 /nfs/dbraw/zinc/69/01/65/1173690165.db2.gz LZKZXKBLZUCOAF-AWEZNQCLSA-N 2 0 267.417 1.367 10 0 CDAERP C[C@@H]1CCC[C@@H](CC[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1 ZINC000576271442 317107229 /nfs/dbraw/zinc/10/72/29/317107229.db2.gz AQIGORIACRYUJY-IKGGRYGDSA-N 2 0 297.487 1.401 10 0 CDAERP CC[N@H+](CCNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)C(C)C ZINC000576373399 317128350 /nfs/dbraw/zinc/12/83/50/317128350.db2.gz JLPPWSSWMOYNFQ-INIZCTEOSA-N 2 0 296.459 1.502 10 0 CDAERP C[C@@H](CCNC(=O)N1CC[C@H]([NH+](C)C)C1)[NH+]1CCCCC1 ZINC000182662046 323292457 /nfs/dbraw/zinc/29/24/57/323292457.db2.gz VUDJJPFWWNKHNV-GJZGRUSLSA-N 2 0 296.459 1.596 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@H](C)CS(C)(=O)=O)CC1 ZINC000182830478 323303616 /nfs/dbraw/zinc/30/36/16/323303616.db2.gz GSEWFVXZTXYHLC-GFCCVEGCSA-N 2 0 276.446 1.131 10 0 CDAERP C[C@@H](CCNC(=O)NC[C@@H]1CCC[N@@H+]1C)[NH+]1CCCCC1 ZINC000184962597 323379009 /nfs/dbraw/zinc/37/90/09/323379009.db2.gz JBZMKDKYWVEILX-GJZGRUSLSA-N 2 0 296.459 1.644 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000578743319 324010698 /nfs/dbraw/zinc/01/06/98/324010698.db2.gz YGEFXNGKLHWTAL-FPMFFAJLSA-N 2 0 261.369 1.415 10 0 CDAERP C[C@H]([NH3+])[C@H]1CCCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000579228114 324133557 /nfs/dbraw/zinc/13/35/57/324133557.db2.gz XLNHZIVKAATKBO-SOUVJXGZSA-N 2 0 281.444 1.837 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)CC2(C[NH3+])CC2)CC[N@@H+]1C ZINC000579953881 324325922 /nfs/dbraw/zinc/32/59/22/324325922.db2.gz QSIWAKYSZLXBJZ-NEPJUHHUSA-N 2 0 253.390 1.057 10 0 CDAERP C[C@H](C[C@@H]1COCCN1)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000580062826 324354758 /nfs/dbraw/zinc/35/47/58/324354758.db2.gz RZNMGYANVOREEG-TZMCWYRMSA-N 2 0 274.368 1.191 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C[C@H](C)COC ZINC000580128980 324375138 /nfs/dbraw/zinc/37/51/38/324375138.db2.gz FZJPXPYLUFIERU-HOTGVXAUSA-N 2 0 285.476 1.617 10 0 CDAERP CC(C)[NH2+]CCC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000582543993 324995800 /nfs/dbraw/zinc/99/58/00/324995800.db2.gz MJHZDAMEGJXTMC-KBPBESRZSA-N 2 0 269.433 1.754 10 0 CDAERP c1ccc(NC2CC[NH+](C[C@H]3COCCO3)CC2)nc1 ZINC000583546325 325195599 /nfs/dbraw/zinc/19/55/99/325195599.db2.gz CDWWYQVYMIPAOZ-AWEZNQCLSA-N 2 0 277.368 1.373 10 0 CDAERP Cc1cn2cc(NC(=O)NCC3([NH3+])CCC3)ccc2n1 ZINC000583612393 325207644 /nfs/dbraw/zinc/20/76/44/325207644.db2.gz IMDVPOPAGWQSOD-UHFFFAOYSA-N 2 0 273.340 1.646 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001420022247 1159543524 /nfs/dbraw/zinc/54/35/24/1159543524.db2.gz XENNDHJRJPABMK-ZIAGYGMSSA-N 2 0 287.423 1.513 10 0 CDAERP CC[NH2+]CC[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001700076935 1176740071 /nfs/dbraw/zinc/74/00/71/1176740071.db2.gz ANUWSTNFLBUOBQ-CYBMUJFWSA-N 2 0 267.417 1.176 10 0 CDAERP CCCCC[N@H+](C)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001700482980 1176971802 /nfs/dbraw/zinc/97/18/02/1176971802.db2.gz JDFSUFKLVQERIC-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H]1C[C@H](N(C)C(=O)C2([NH+](C)C)CC2)CC[N@@H+]1C ZINC000669126697 482479981 /nfs/dbraw/zinc/47/99/81/482479981.db2.gz ZQLLYEDIRJCNNW-NWDGAFQWSA-N 2 0 253.390 1.022 10 0 CDAERP c1[nH+]cn2cc(C[NH2+][C@H]3CO[C@@H](C4CC4)C3)ccc12 ZINC000668234808 482218454 /nfs/dbraw/zinc/21/84/54/482218454.db2.gz VRGRRMHFUZOGIY-UKRRQHHQSA-N 2 0 257.337 1.991 10 0 CDAERP c1cc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)n(-c2cc[nH+]cc2)n1 ZINC000668272586 482312622 /nfs/dbraw/zinc/31/26/22/482312622.db2.gz HVXMBVANCGEBMC-CJNGLKHVSA-N 2 0 284.363 1.878 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)C1(CO)CC1 ZINC000668797567 482328775 /nfs/dbraw/zinc/32/87/75/482328775.db2.gz CWNOABSDVBYZBO-UHFFFAOYSA-N 2 0 272.352 1.532 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)c2ccccc2CC[NH3+])C[N@@H+]1C1CC1 ZINC000653123616 482419671 /nfs/dbraw/zinc/41/96/71/482419671.db2.gz AFDHDHLOCZYSKA-OCCSQVGLSA-N 2 0 287.407 1.543 10 0 CDAERP C[C@H]1C[C@@H](NC(=O)c2ccccc2CC[NH3+])C[N@@H+]1C1CC1 ZINC000653123614 482419730 /nfs/dbraw/zinc/41/97/30/482419730.db2.gz AFDHDHLOCZYSKA-GXTWGEPZSA-N 2 0 287.407 1.543 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000386674571 482525521 /nfs/dbraw/zinc/52/55/21/482525521.db2.gz IJMZTFGZFBTJAE-KRWDZBQOSA-N 2 0 297.487 1.495 10 0 CDAERP c1cc2c(ncnc2N[C@H]2CCc3cncn3C2)[nH]1 ZINC000672324833 482543848 /nfs/dbraw/zinc/54/38/48/482543848.db2.gz LTSQJKKWIZFRII-VIFPVBQESA-N 2 0 254.297 1.581 10 0 CDAERP C[NH+](C)[C@H]1CCCN(C(=O)C2CCC([NH3+])CC2)C1 ZINC000091394745 482563755 /nfs/dbraw/zinc/56/37/55/482563755.db2.gz RXQHLFWNOAPVHA-BPCQOVAHSA-N 2 0 253.390 1.057 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000417284725 482578716 /nfs/dbraw/zinc/57/87/16/482578716.db2.gz FVBJXKFDDXHNNP-HOCLYGCPSA-N 2 0 296.459 1.502 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000417524953 482594336 /nfs/dbraw/zinc/59/43/36/482594336.db2.gz AGSBAAKESFXZTI-LXTVHRRPSA-N 2 0 296.459 1.818 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC/C=C/C[NH3+])C1 ZINC000669539389 482621816 /nfs/dbraw/zinc/62/18/16/482621816.db2.gz HIMQPZZEFMZZPL-XGACYXMMSA-N 2 0 282.432 1.169 10 0 CDAERP C[NH+](C)CCCNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000684355961 482771753 /nfs/dbraw/zinc/77/17/53/482771753.db2.gz LQTCLVWELCSQNJ-UHFFFAOYSA-N 2 0 282.432 1.254 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H](C)Cc1ccccn1 ZINC000656202072 482790457 /nfs/dbraw/zinc/79/04/57/482790457.db2.gz XLUPMEKYRCSIFC-OCCSQVGLSA-N 2 0 251.374 1.356 10 0 CDAERP C[C@H]([NH2+][C@@H]1CCC[C@@H](CO)C1)C1CC[NH+](C)CC1 ZINC000380726244 482870635 /nfs/dbraw/zinc/87/06/35/482870635.db2.gz IBNPEDLLOKZPFP-GZBFAFLISA-N 2 0 254.418 1.857 10 0 CDAERP CC(C)[NH+]1CCN(C2CC[NH+](C[C@H](C)CO)CC2)CC1 ZINC000678045803 482906059 /nfs/dbraw/zinc/90/60/59/482906059.db2.gz KXMWHTZZWOYDSM-HNNXBMFYSA-N 2 0 283.460 1.105 10 0 CDAERP C[C@H]([NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)C1CC[NH+](C)CC1 ZINC000671302257 482969056 /nfs/dbraw/zinc/96/90/56/482969056.db2.gz MRTSLYRDBZBEIM-CFVMTHIKSA-N 2 0 286.460 1.464 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@H]1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000089453871 483078902 /nfs/dbraw/zinc/07/89/02/483078902.db2.gz NTVRFMOFSKGPCJ-SMDDNHRTSA-N 2 0 265.401 1.104 10 0 CDAERP CC1CC[NH+](CCNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089459296 483086105 /nfs/dbraw/zinc/08/61/05/483086105.db2.gz YMJVNQGGQIVRGU-ZIAGYGMSSA-N 2 0 267.417 1.210 10 0 CDAERP CC(C)([NH3+])CNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000667148583 483111085 /nfs/dbraw/zinc/11/10/85/483111085.db2.gz DIJZCRDLCOCAKA-UHFFFAOYSA-N 2 0 274.328 1.126 10 0 CDAERP COc1ccc(C[NH+](C)C)cc1NC(=O)C[C@H]1CC[NH2+]C1 ZINC000089742040 483127560 /nfs/dbraw/zinc/12/75/60/483127560.db2.gz VVMMVKKIRSUNHJ-GFCCVEGCSA-N 2 0 291.395 1.695 10 0 CDAERP C[C@@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)C1CC[NH+](C)CC1 ZINC000685662423 483204583 /nfs/dbraw/zinc/20/45/83/483204583.db2.gz RAWFHPQQNUUWLH-DGCLKSJQSA-N 2 0 262.401 1.587 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000136408011 483402565 /nfs/dbraw/zinc/40/25/65/483402565.db2.gz IFFIFCOSQOULQY-OAHLLOKOSA-N 2 0 283.460 1.939 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000680497548 483639054 /nfs/dbraw/zinc/63/90/54/483639054.db2.gz JDPGAINJWMZJGD-ZIAGYGMSSA-N 2 0 282.432 1.206 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)C1CCC(C[NH3+])CC1 ZINC000055162387 519336107 /nfs/dbraw/zinc/33/61/07/519336107.db2.gz CZQCCFUWUAANOE-YMAMQOFZSA-N 2 0 283.460 1.844 10 0 CDAERP C[C@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]Cc1ccccn1 ZINC001409451173 1160829368 /nfs/dbraw/zinc/82/93/68/1160829368.db2.gz FOCORENNMMUTRB-KBPBESRZSA-N 2 0 290.411 1.160 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CC[C@@H](C[N@@H+]2CCOCC2(C)C)O1 ZINC000052546193 519724005 /nfs/dbraw/zinc/72/40/05/519724005.db2.gz RHWSYQXYAHCNJT-KBPBESRZSA-N 2 0 270.417 1.643 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@@H](COC2CC[NH+](C)CC2)O1 ZINC000052596860 519953556 /nfs/dbraw/zinc/95/35/56/519953556.db2.gz MQYQBLJEKOWDAP-KBPBESRZSA-N 2 0 256.390 1.254 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000061267001 519963738 /nfs/dbraw/zinc/96/37/38/519963738.db2.gz PTBGHSUATZDDQP-ZFWWWQNUSA-N 2 0 277.412 1.651 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(CC[C@@](C)(CO)[NH2+]C2CC2)C1 ZINC000070337409 520873012 /nfs/dbraw/zinc/87/30/12/520873012.db2.gz VLRBWQZKLGQDRK-HOTGVXAUSA-N 2 0 283.460 1.296 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(c2ccccc2C(N)=[NH2+])CC1 ZINC000055067172 522134531 /nfs/dbraw/zinc/13/45/31/522134531.db2.gz SXABKQJMFYWROV-GFCCVEGCSA-N 2 0 260.385 1.891 10 0 CDAERP C[NH2+]Cc1nc(CN2CCC(C[NH+](C)C)CC2)cs1 ZINC000052515133 522151904 /nfs/dbraw/zinc/15/19/04/522151904.db2.gz MJKSLQQXNQOSAD-UHFFFAOYSA-N 2 0 282.457 1.636 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)CC1CCC([NH3+])CC1 ZINC000055131899 519619651 /nfs/dbraw/zinc/61/96/51/519619651.db2.gz VCWRKJWNWOYJPP-UHFFFAOYSA-N 2 0 255.406 1.350 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CC[C@@H](CN2CC[NH+](C(C)(C)C)CC2)O1 ZINC000052571699 519723953 /nfs/dbraw/zinc/72/39/53/519723953.db2.gz HUMZZTNLMACFHE-HOTGVXAUSA-N 2 0 297.487 1.948 10 0 CDAERP CC(C)C[NH+]1CCN(C[C@@H]2CC[C@H](C[NH2+]C3CC3)O2)CC1 ZINC000055082827 519726565 /nfs/dbraw/zinc/72/65/65/519726565.db2.gz RJSHPNLCELMZJA-SJORKVTESA-N 2 0 295.471 1.560 10 0 CDAERP CC(C)C[NH+]1CCN(Cc2ccoc2C[NH3+])CC1 ZINC000055082671 519727062 /nfs/dbraw/zinc/72/70/62/519727062.db2.gz LRECLSAACSDFOP-UHFFFAOYSA-N 2 0 251.374 1.512 10 0 CDAERP CC(C)C[NH2+]CC1(C[N@@H+]2CC[C@H](O)C2)CCCC1 ZINC000061711823 519743005 /nfs/dbraw/zinc/74/30/05/519743005.db2.gz FHVOLSMRDAUDKN-AWEZNQCLSA-N 2 0 254.418 1.859 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CC[C@H](CN2CCC([NH+](C)C)CC2)O1 ZINC000052477814 519745403 /nfs/dbraw/zinc/74/54/03/519745403.db2.gz ZTNKKMMNVWAAEY-DLBZAZTESA-N 2 0 297.487 1.806 10 0 CDAERP CC(C)[C@@H]1C[NH2+]C(C)(C)CN1C1CC[NH+](C)CC1 ZINC000062625127 519804737 /nfs/dbraw/zinc/80/47/37/519804737.db2.gz PPXSCBHJSCGODR-AWEZNQCLSA-N 2 0 253.434 1.789 10 0 CDAERP CC(C)[C@H](C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)[NH+]1CCCCC1 ZINC000186800696 519809911 /nfs/dbraw/zinc/80/99/11/519809911.db2.gz WCUVZCFTRJNHTH-RBSFLKMASA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000061612876 519814199 /nfs/dbraw/zinc/81/41/99/519814199.db2.gz LQOGEFRCZKGFSK-CABCVRRESA-N 2 0 277.412 1.431 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@H]2CCC[C@@H](C)[C@@H]2[NH3+])CC1 ZINC000055141538 519846029 /nfs/dbraw/zinc/84/60/29/519846029.db2.gz QGVRIBMVXXTYEK-SNPRPXQTSA-N 2 0 281.444 1.741 10 0 CDAERP CCC[NH+]1CCC([C@H](C)[NH2+]CCN(C)CCOC)CC1 ZINC000061376310 519847715 /nfs/dbraw/zinc/84/77/15/519847715.db2.gz MQYUMMMNYBCVFV-HNNXBMFYSA-N 2 0 285.476 1.665 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CC[NH+]3CCC2CC3)C1 ZINC000364925243 519861872 /nfs/dbraw/zinc/86/18/72/519861872.db2.gz YPYBXGGBGBLBAG-AWEZNQCLSA-N 2 0 294.443 1.208 10 0 CDAERP CCOCCC[NH2+]CCN1CC[NH+](C(C)C)CC1 ZINC000053382809 519896916 /nfs/dbraw/zinc/89/69/16/519896916.db2.gz RZQFZGFKPMWLKG-UHFFFAOYSA-N 2 0 257.422 1.029 10 0 CDAERP CCC[NH2+]C1CC[NH+](CCCn2ccnc2)CC1 ZINC000049326910 519906940 /nfs/dbraw/zinc/90/69/40/519906940.db2.gz YDNQZUVGSPQSSL-UHFFFAOYSA-N 2 0 250.390 1.737 10 0 CDAERP CCC[NH2+]C[C@@H]1CCN([C@@H](C)C[NH+]2CCCC2)C1 ZINC000053031870 519922302 /nfs/dbraw/zinc/92/23/02/519922302.db2.gz SAXDWJFUIARBCC-GJZGRUSLSA-N 2 0 253.434 1.792 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)Cc2cccnc2)O1 ZINC000052479516 519953110 /nfs/dbraw/zinc/95/31/10/519953110.db2.gz KNOSKXMXOPLXEK-LSDHHAIUSA-N 2 0 263.385 1.671 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@H+](CCN(C)C)CC(C)C)O1 ZINC000052503392 519978210 /nfs/dbraw/zinc/97/82/10/519978210.db2.gz DSGAWNFRODSDRU-CVEARBPZSA-N 2 0 285.476 1.663 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@H](C[N@H+](CCOC)[C@@H](C)C2CC2)O1 ZINC000052545444 519979418 /nfs/dbraw/zinc/97/94/18/519979418.db2.gz LXEDRFVSMMXBLY-NUEKZKHPSA-N 2 0 284.444 1.890 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)NCCC[NH+]1CCCCC1 ZINC000061269418 520063949 /nfs/dbraw/zinc/06/39/49/520063949.db2.gz KXMBSJJBAKYZIY-ZDUSSCGKSA-N 2 0 255.406 1.367 10 0 CDAERP CCC[NH2+][C@H](C)C[C@H](C)N1CCN(CC[NH+](C)C)CC1 ZINC000068654886 520064689 /nfs/dbraw/zinc/06/46/89/520064689.db2.gz PJKOMYGUHLWJDL-CVEARBPZSA-N 2 0 284.492 1.332 10 0 CDAERP CC[NH2+][C@H](C)[C@@H](C)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062979455 520176841 /nfs/dbraw/zinc/17/68/41/520176841.db2.gz BWOFKVQJCGILLO-KFWWJZLASA-N 2 0 253.434 1.933 10 0 CDAERP CC[NH2+][C@H]1CCCC[C@@H]1CN1CCN(CC[NH+](C)C)CC1 ZINC000061653817 520214447 /nfs/dbraw/zinc/21/44/47/520214447.db2.gz PMSKRKNGMNDHDO-SJORKVTESA-N 2 0 296.503 1.334 10 0 CDAERP CC1(C)CC[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000339259138 520378492 /nfs/dbraw/zinc/37/84/92/520378492.db2.gz VTKFTMDKWSURGF-UHFFFAOYSA-N 2 0 293.455 1.851 10 0 CDAERP CCCC[N@H+](CCn1cc(C[NH2+]C)nn1)[C@H](C)CC ZINC000052372708 520542670 /nfs/dbraw/zinc/54/26/70/520542670.db2.gz YQXHTMIMPPILCF-CYBMUJFWSA-N 2 0 267.421 1.898 10 0 CDAERP CC[NH+](CC)CCN(CC(C)C)C(=O)C(C)(C)[NH2+]C ZINC000061317320 520641312 /nfs/dbraw/zinc/64/13/12/520641312.db2.gz PIBXRAQPOCENOK-UHFFFAOYSA-N 2 0 271.449 1.811 10 0 CDAERP CCCCOCC[NH2+]CCN1CCC[C@H]1C[NH+](C)C ZINC000061655052 520780615 /nfs/dbraw/zinc/78/06/15/520780615.db2.gz VDPVIRSBAIFJNK-HNNXBMFYSA-N 2 0 271.449 1.419 10 0 CDAERP CC[N@H+](CCn1cc(C[NH2+]C)nn1)C1CCCC1 ZINC000052457755 521183469 /nfs/dbraw/zinc/18/34/69/521183469.db2.gz YUNXMOSHJUNYSA-UHFFFAOYSA-N 2 0 251.378 1.262 10 0 CDAERP CC[N@H+](CCn1cc(C[NH2+]C)nn1)C1CCCCC1 ZINC000052420081 521184701 /nfs/dbraw/zinc/18/47/01/521184701.db2.gz BLMIUOGCBXVBEI-UHFFFAOYSA-N 2 0 265.405 1.652 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C)CC1 ZINC000055140044 521548811 /nfs/dbraw/zinc/54/88/11/521548811.db2.gz VRICISLLEHKBJZ-BPLDGKMQSA-N 2 0 281.444 1.598 10 0 CDAERP CCC(CC)[N@H+](CCO)Cc1ccnc(C[NH3+])c1 ZINC000068750150 521553272 /nfs/dbraw/zinc/55/32/72/521553272.db2.gz FZEIHBCHSHYZGH-UHFFFAOYSA-N 2 0 251.374 1.523 10 0 CDAERP CCC(CC)[N@H+](CCOC)CC1(O)CC[NH2+]CC1 ZINC000051016203 521558134 /nfs/dbraw/zinc/55/81/34/521558134.db2.gz LTRHZIJNBRVVDL-UHFFFAOYSA-N 2 0 258.406 1.238 10 0 CDAERP CC[NH+]1CCC(N(C)Cc2cc(C[NH3+])oc2C)CC1 ZINC000052544017 521564611 /nfs/dbraw/zinc/56/46/11/521564611.db2.gz QSMZRHHULRPJLX-UHFFFAOYSA-N 2 0 265.401 1.963 10 0 CDAERP CCC(CC)[C@H](CNC(=O)C(C)(C)[NH2+]C)[NH+](C)C ZINC000061318450 521617234 /nfs/dbraw/zinc/61/72/34/521617234.db2.gz TVRHFJXIDTYGQK-LBPRGKRZSA-N 2 0 257.422 1.467 10 0 CDAERP CCCN(CC[NH+](C)C)Cc1ccc(NN)[nH+]c1 ZINC000051145542 521657610 /nfs/dbraw/zinc/65/76/10/521657610.db2.gz JOBFGRVIPCLCRJ-UHFFFAOYSA-N 2 0 251.378 1.141 10 0 CDAERP CCC1(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC[NH2+]CC1 ZINC000062973349 521664356 /nfs/dbraw/zinc/66/43/56/521664356.db2.gz UQAKFHIHLAXBSF-HNNXBMFYSA-N 2 0 293.455 1.853 10 0 CDAERP CC[NH+]1CCN([C@H]2C[C@H](C(C)C)CC[C@@H]2[NH3+])CC1 ZINC000054554510 521695803 /nfs/dbraw/zinc/69/58/03/521695803.db2.gz FFKKGXHJQLAHKU-ILXRZTDVSA-N 2 0 253.434 1.776 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000061644999 521832186 /nfs/dbraw/zinc/83/21/86/521832186.db2.gz XNXJENXXMRMNDF-LSDHHAIUSA-N 2 0 275.396 1.109 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000061645044 521832349 /nfs/dbraw/zinc/83/23/49/521832349.db2.gz LKMYJKFTDSHPKT-KBPBESRZSA-N 2 0 261.369 1.239 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1CC(C)(C)C[NH2+]C1CC1 ZINC000061653538 521864945 /nfs/dbraw/zinc/86/49/45/521864945.db2.gz WJKKNDIQRIUEJA-CQSZACIVSA-N 2 0 253.434 1.791 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C[C@@](C)(C[NH3+])c1ccccc1 ZINC000061653520 521868619 /nfs/dbraw/zinc/86/86/19/521868619.db2.gz SCQUJNJLBQJBBP-IAGOWNOFSA-N 2 0 275.440 1.929 10 0 CDAERP C[NH2+]C[C@@H]1CC[C@H](C[N@@H+]2CCc3sccc3C2)O1 ZINC000052416586 522062280 /nfs/dbraw/zinc/06/22/80/522062280.db2.gz TWPABVDMZZUTKR-QWHCGFSZSA-N 2 0 266.410 1.873 10 0 CDAERP CC[C@H](C[NH2+]C(C)C)N1CC[NH+](CC2CC2)CC1 ZINC000052372414 522192178 /nfs/dbraw/zinc/19/21/78/522192178.db2.gz DADUBWZOKSZASG-OAHLLOKOSA-N 2 0 253.434 1.791 10 0 CDAERP CCc1nc(N2CCC[N@H+](C)CC2)sc1C[NH3+] ZINC000054968945 522385139 /nfs/dbraw/zinc/38/51/39/522385139.db2.gz WJPVNAOVHCXYFL-UHFFFAOYSA-N 2 0 254.403 1.306 10 0 CDAERP COC[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH2+]C(C)(C)C)C1 ZINC000069054696 522405211 /nfs/dbraw/zinc/40/52/11/522405211.db2.gz JOYLQRGMEWOBHR-STQMWFEESA-N 2 0 258.406 1.094 10 0 CDAERP C[NH2+][C@H](C)c1cnc(N2CCC([NH+](C)C)CC2)s1 ZINC000054903747 522454814 /nfs/dbraw/zinc/45/48/14/522454814.db2.gz HNAVDZWPHVAXCL-SNVBAGLBSA-N 2 0 268.430 1.954 10 0 CDAERP CN1CCC([N@H+](C)CCCC2CC[NH2+]CC2)CC1 ZINC000050952401 522728027 /nfs/dbraw/zinc/72/80/27/522728027.db2.gz UNXRSNORPGXHLI-UHFFFAOYSA-N 2 0 253.434 1.792 10 0 CDAERP CN(CC[NH+]1CCCC1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000069267486 522833218 /nfs/dbraw/zinc/83/32/18/522833218.db2.gz KYAKTNJKYLGINQ-INIZCTEOSA-N 2 0 259.397 1.859 10 0 CDAERP C[N@H+](C[C@@H]1CCCO1)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052182985 523055849 /nfs/dbraw/zinc/05/58/49/523055849.db2.gz PIMMYCGNBPYZKO-HNNXBMFYSA-N 2 0 282.428 1.646 10 0 CDAERP C[N@H+](Cc1ccc(Cl)s1)CC1(O)CC[NH2+]CC1 ZINC000051016294 523235431 /nfs/dbraw/zinc/23/54/31/523235431.db2.gz APZRQAUKINPCDH-UHFFFAOYSA-N 2 0 274.817 1.948 10 0 CDAERP COC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccnc(C[NH3+])c1 ZINC000068750652 523285827 /nfs/dbraw/zinc/28/58/27/523285827.db2.gz CBYNYGNMWVNBPG-AWEZNQCLSA-N 2 0 277.368 1.458 10 0 CDAERP COCCC[NH2+]C[C@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000055075933 523373532 /nfs/dbraw/zinc/37/35/32/523373532.db2.gz JZCDNESXNYXRET-HNNXBMFYSA-N 2 0 271.449 1.275 10 0 CDAERP CCn1nccc1CC[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339432723 523720057 /nfs/dbraw/zinc/72/00/57/523720057.db2.gz KZCVHWBJALOKBY-MRXNPFEDSA-N 2 0 276.428 1.863 10 0 CDAERP C[NH+]1CCC(NC(=O)C[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000055126725 523773685 /nfs/dbraw/zinc/77/36/85/523773685.db2.gz HLNVOLBTDSNFIM-NWDGAFQWSA-N 2 0 253.390 1.104 10 0 CDAERP COCC[N@@H+]1CCN(CC[C@@H]2CCC[NH+]2C)C[C@@H]1C ZINC000161673633 523852986 /nfs/dbraw/zinc/85/29/86/523852986.db2.gz ZLGXVBWZJSVIHL-GJZGRUSLSA-N 2 0 269.433 1.123 10 0 CDAERP C[NH+]1CCN(CC[NH2+]CCc2cccs2)CC1 ZINC000053343497 523903612 /nfs/dbraw/zinc/90/36/12/523903612.db2.gz QQHYUVKHRCDOMR-UHFFFAOYSA-N 2 0 253.415 1.128 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)[C@@H](C[NH3+])C(C)C)CC1 ZINC000055071298 523949131 /nfs/dbraw/zinc/94/91/31/523949131.db2.gz XEUMOUFPJSAJAD-STQMWFEESA-N 2 0 255.406 1.160 10 0 CDAERP CC[C@H](C)[NH+]1CCN(CCCC[C@](C)([NH3+])C(=O)OC)CC1 ZINC000055071071 523952500 /nfs/dbraw/zinc/95/25/00/523952500.db2.gz XYWUKNRWQKWVAG-HOCLYGCPSA-N 2 0 299.459 1.463 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000055083488 523954590 /nfs/dbraw/zinc/95/45/90/523954590.db2.gz NZJAZDQQRIYHRD-RDJZCZTQSA-N 2 0 275.440 1.973 10 0 CDAERP C[NH+](C)C(C)(C)CNC(=O)C1CCC(C[NH3+])CC1 ZINC000055163278 524032331 /nfs/dbraw/zinc/03/23/31/524032331.db2.gz XEUGTLDEMLCLRA-UHFFFAOYSA-N 2 0 255.406 1.208 10 0 CDAERP C[C@@H]1CCC[C@@H]([N@H+](C)CCN2CCC[NH2+]CC2)C1 ZINC000061275359 524299418 /nfs/dbraw/zinc/29/94/18/524299418.db2.gz PTAWFTFRBWEERE-HUUCEWRRSA-N 2 0 253.434 1.792 10 0 CDAERP Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@@H](C)CC[NH+](C)C ZINC000049557503 524322223 /nfs/dbraw/zinc/32/22/23/524322223.db2.gz SOSVDMNRESPNQY-JKSUJKDBSA-N 2 0 294.439 1.973 10 0 CDAERP C[C@@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)N1CCC([NH+](C)C)CC1 ZINC000055128230 524392123 /nfs/dbraw/zinc/39/21/23/524392123.db2.gz QWTRJWUYGKWTLK-KWCYVHTRSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC000055138662 524392180 /nfs/dbraw/zinc/39/21/80/524392180.db2.gz CSWZCGGZOUIMFS-ZOBORPQBSA-N 2 0 267.417 1.350 10 0 CDAERP Cc1ccc(C[NH3+])c(N2CC[NH+](CC(C)C)CC2)n1 ZINC000055076836 524425070 /nfs/dbraw/zinc/42/50/70/524425070.db2.gz BTMMEAQJUNMQTF-UHFFFAOYSA-N 2 0 262.401 1.627 10 0 CDAERP C[C@@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC000055138656 524685486 /nfs/dbraw/zinc/68/54/86/524685486.db2.gz ONIYERYWOCCIHH-RFGFWPKPSA-N 2 0 267.417 1.350 10 0 CDAERP C[C@@H]([NH3+])c1cnc(N2CCC(C[NH+](C)C)CC2)s1 ZINC000054897123 525032831 /nfs/dbraw/zinc/03/28/31/525032831.db2.gz SLNGYOREENWPDA-SNVBAGLBSA-N 2 0 268.430 1.941 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCC[C@@H]1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000055123264 525087587 /nfs/dbraw/zinc/08/75/87/525087587.db2.gz LVEOZJCJAJIDSL-XBFCOCLRSA-N 2 0 267.417 1.303 10 0 CDAERP COc1ccc([C@H](C[NH3+])N2CC[NH+](C)CC2)cc1C ZINC000050596411 525351915 /nfs/dbraw/zinc/35/19/15/525351915.db2.gz CSAOHBDDELLUNW-AWEZNQCLSA-N 2 0 263.385 1.251 10 0 CDAERP Cc1cccnc1N1CCC[N@@H+](C[C@@H](C)C[NH3+])CC1 ZINC000051040741 525534540 /nfs/dbraw/zinc/53/45/40/525534540.db2.gz GPGCPYPQKHAOGY-ZDUSSCGKSA-N 2 0 262.401 1.497 10 0 CDAERP C[C@@]1(C(=O)N2CCC(C[NH+]3CCCC3)CC2)CCC[NH2+]C1 ZINC000062857793 525783931 /nfs/dbraw/zinc/78/39/31/525783931.db2.gz JNBZVWFFQFIZIQ-QGZVFWFLSA-N 2 0 293.455 1.711 10 0 CDAERP O=C(CCC1CC[NH2+]CC1)N[C@@H]1CC[N@@H+]2CCC[C@@H]12 ZINC000050943355 526410818 /nfs/dbraw/zinc/41/08/18/526410818.db2.gz PDRCVDIDDYFUNM-KGLIPLIRSA-N 2 0 265.401 1.119 10 0 CDAERP Cc1oc(C[NH2+]C2CC2)cc1CN1CCC[N@@H+](C)CC1 ZINC000052424399 526774352 /nfs/dbraw/zinc/77/43/52/526774352.db2.gz JTYKVMLNVDJCIS-UHFFFAOYSA-N 2 0 277.412 1.978 10 0 CDAERP [NH3+]CCCN1CCC[N@H+](CCCOc2ccccc2)CC1 ZINC000061815634 527180322 /nfs/dbraw/zinc/18/03/22/527180322.db2.gz OAGGLYUNTPBFOW-UHFFFAOYSA-N 2 0 291.439 1.812 10 0 CDAERP [NH3+][C@H]1CCC[C@@H](C(=O)NCC[NH+]2CCCCC2)C1 ZINC000055089901 527401460 /nfs/dbraw/zinc/40/14/60/527401460.db2.gz ISEXKUQBOSPSBE-OLZOCXBDSA-N 2 0 253.390 1.106 10 0 CDAERP OC1(C[N@@H+]2CC[C@@H](c3ccccc3)C2)CC[NH2+]CC1 ZINC000051016417 527508298 /nfs/dbraw/zinc/50/82/98/527508298.db2.gz YZCDHQUUKJYUKP-OAHLLOKOSA-N 2 0 260.381 1.590 10 0 CDAERP CC(C)C[C@H]([NH2+][C@H](C)[C@@H]1C[C@H]1C)C(=O)NCC[NH+](C)C ZINC000414097874 535323280 /nfs/dbraw/zinc/32/32/80/535323280.db2.gz NWCIXSBOXYRYHD-TUVASFSCSA-N 2 0 283.460 1.713 10 0 CDAERP CC[NH+](CC)CCNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000247409260 535533690 /nfs/dbraw/zinc/53/36/90/535533690.db2.gz PZHMXUPUPDHRIS-ZIAGYGMSSA-N 2 0 282.432 1.206 10 0 CDAERP CCCn1cc(C[NH+]2CCC([C@H](C)[NH3+])CC2)cn1 ZINC000219864505 535608445 /nfs/dbraw/zinc/60/84/45/535608445.db2.gz HQZIKUYAOSOKQR-LBPRGKRZSA-N 2 0 250.390 1.852 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000422829258 536593995 /nfs/dbraw/zinc/59/39/95/536593995.db2.gz BOMUZMLSOIMMOY-OAHLLOKOSA-N 3 0 283.460 1.737 10 0 CDAERP COC[C@@H](O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000178393837 536731068 /nfs/dbraw/zinc/73/10/68/536731068.db2.gz HSAYLFJCFXHSAX-RDJZCZTQSA-N 2 0 298.471 1.970 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCc1ccc2c(c1)OCCO2 ZINC000234787227 536850520 /nfs/dbraw/zinc/85/05/20/536850520.db2.gz JVJPNRHWVVBAGK-AWEZNQCLSA-N 2 0 294.395 1.344 10 0 CDAERP COCC[N@@H+]1CCCN(c2cc(C)nc(C)n2)CC1 ZINC000275433063 538725804 /nfs/dbraw/zinc/72/58/04/538725804.db2.gz DBCSORXEUMBZBY-UHFFFAOYSA-N 2 0 264.373 1.252 10 0 CDAERP C[NH+](C)[C@]1(CN[C@@H]2C[C@H]([NH3+])C23CCC3)CCSC1 ZINC000925532842 617466524 /nfs/dbraw/zinc/46/65/24/617466524.db2.gz YIQBHVVBCWQVQA-XQQFMLRXSA-N 2 0 269.458 1.283 10 0 CDAERP [NH3+][C@H]1C[C@@H]([NH2+]CCc2cn3c(n2)CCCC3)C12CCC2 ZINC000925536511 617469939 /nfs/dbraw/zinc/46/99/39/617469939.db2.gz FIAWNSIQNZNVRB-UONOGXRCSA-N 2 0 274.412 1.621 10 0 CDAERP C[C@H](CC(N)=O)[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925576804 617525747 /nfs/dbraw/zinc/52/57/47/617525747.db2.gz ZAXAVVLDXLIYKA-RTXFEEFZSA-N 2 0 253.390 1.008 10 0 CDAERP CC(C)(C)NC(=O)CCN[C@@H]1CC[NH2+]C12CCC2 ZINC000925592906 617539439 /nfs/dbraw/zinc/53/94/39/617539439.db2.gz KBYDFOXHONLDNK-LLVKDONJSA-N 2 0 253.390 1.165 10 0 CDAERP CCO[C@H](CN[C@@H](C)C[C@H]1CCCCC[NH2+]1)C[NH+](C)C ZINC000925843092 617874654 /nfs/dbraw/zinc/87/46/54/617874654.db2.gz ZFCQCPRJSCHMAZ-ARFHVFGLSA-N 2 0 285.476 1.854 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](O)CCc2ccccc2)C12CCC2 ZINC000925647557 617591365 /nfs/dbraw/zinc/59/13/65/617591365.db2.gz DFEVMZMMNPIIHN-OAGGEKHMSA-N 2 0 274.408 1.840 10 0 CDAERP Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1cc(N)cc[nH+]1 ZINC000925767848 617618500 /nfs/dbraw/zinc/61/85/00/617618500.db2.gz QPUASQFLIOUNLN-SNVBAGLBSA-N 2 0 271.368 1.677 10 0 CDAERP C[C@@H](CCc1ccco1)[NH2+]C1CCN(CCO)CC1 ZINC000399115856 617643643 /nfs/dbraw/zinc/64/36/43/617643643.db2.gz GAVZTFOPHDIBPK-ZDUSSCGKSA-N 2 0 266.385 1.647 10 0 CDAERP CN(CC[N@H+](C)CCOC(F)F)C1CC[NH+](C)CC1 ZINC000851873001 617690677 /nfs/dbraw/zinc/69/06/77/617690677.db2.gz SXOXBUQDXPHDNI-UHFFFAOYSA-N 2 0 279.375 1.183 10 0 CDAERP CC1(C)[C@H]([NH2+][C@@H]2CC[C@H](C(N)=O)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925695415 617722131 /nfs/dbraw/zinc/72/21/31/617722131.db2.gz WJIVQEKMCKEMBZ-CKIKVBCHSA-N 2 0 265.401 1.007 10 0 CDAERP COc1ccc([C@@H](C)[NH2+]CCN2CCC([NH3+])CC2)c(F)c1 ZINC000925810383 617753165 /nfs/dbraw/zinc/75/31/65/617753165.db2.gz MXTIADNKIXBKBY-GFCCVEGCSA-N 2 0 295.402 1.908 10 0 CDAERP C[C@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000925833395 617858466 /nfs/dbraw/zinc/85/84/66/617858466.db2.gz HJSNMXUGHPEZET-SDDRHHMPSA-N 2 0 281.366 1.989 10 0 CDAERP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC[C@H]1CNC(=O)C1 ZINC000925838733 617869762 /nfs/dbraw/zinc/86/97/62/617869762.db2.gz NULBXPHWSWRDMI-CFVMTHIKSA-N 2 0 275.396 1.061 10 0 CDAERP O=C1O[C@H](C[NH2+]C2CCCCCC2)CC12CC[NH2+]CC2 ZINC000925855727 617895082 /nfs/dbraw/zinc/89/50/82/617895082.db2.gz OJJBFVRQONDUGO-AWEZNQCLSA-N 2 0 280.412 1.984 10 0 CDAERP C[N@H+](C[C@@H](O)CCC1(O)CCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000930459217 618165185 /nfs/dbraw/zinc/16/51/85/618165185.db2.gz GGTABESMODWTQC-QXULXFAOSA-N 2 0 296.455 1.600 10 0 CDAERP CCOCCOCCN1CC[NH2+]CCC12CCC2 ZINC000923427642 618335396 /nfs/dbraw/zinc/33/53/96/618335396.db2.gz UNBAMVICNFJCRA-UHFFFAOYSA-N 2 0 256.390 1.258 10 0 CDAERP C[C@H](C[NH2+][C@H](C1CC1)[C@H]1CCCOC1)N1CC[NH+](C)CC1 ZINC000924963468 618454445 /nfs/dbraw/zinc/45/44/45/618454445.db2.gz FLCPFNZOHFHZRO-HYVNUMGLSA-N 2 0 295.471 1.417 10 0 CDAERP CCc1nccn1[C@@H](C)CC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928555585 619364962 /nfs/dbraw/zinc/36/49/62/619364962.db2.gz USDLCWCISATZMB-RYUDHWBXSA-N 2 0 264.373 1.217 10 0 CDAERP COC[C@H](C)C[NH+]1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000895550867 619723704 /nfs/dbraw/zinc/72/37/04/619723704.db2.gz LFQPYHVARHWXSZ-CQSZACIVSA-N 2 0 297.443 1.075 10 0 CDAERP Cc1n[nH]cc1CN1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000895558352 619726490 /nfs/dbraw/zinc/72/64/90/619726490.db2.gz WRIRPZUHMXJIRL-GFCCVEGCSA-N 2 0 271.368 1.824 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CC[NH+]2C(C)(C)C)CC[N@@H+]1C ZINC000896624985 620164929 /nfs/dbraw/zinc/16/49/29/620164929.db2.gz ZQKNBGAIXFRONK-RDBSUJKOSA-N 2 0 281.444 1.800 10 0 CDAERP C[C@@H]1C[C@H]1NC(=[NH2+])NCC[N@@H+]1CCCC(C)(C)C1 ZINC000864465017 620930393 /nfs/dbraw/zinc/93/03/93/620930393.db2.gz NRAHLFWBTNDJSV-VXGBXAGGSA-N 2 0 252.406 1.631 10 0 CDAERP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@H]1CC[NH+](C)[C@H]1C ZINC000925321703 621532936 /nfs/dbraw/zinc/53/29/36/621532936.db2.gz APIVMLOLVRSUCI-IHRRRGAJSA-N 2 0 282.432 1.061 10 0 CDAERP CCO[C@H](CNC1CC[NH+](C(C)C)CC1)C[NH+](C)C ZINC000926965137 621635393 /nfs/dbraw/zinc/63/53/93/621635393.db2.gz PRUQZLLAXRKGPQ-OAHLLOKOSA-N 2 0 271.449 1.416 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[NH+](C)[C@H](C(C)(C)C)C2)C1 ZINC000898384435 621719864 /nfs/dbraw/zinc/71/98/64/621719864.db2.gz RWLRGMKIHHFZJY-KGLIPLIRSA-N 2 0 281.444 1.517 10 0 CDAERP C[C@H]1[C@H](NC(=O)NC2CCC(C)([NH+](C)C)CC2)CC[N@@H+]1C ZINC000923902673 622411361 /nfs/dbraw/zinc/41/13/61/622411361.db2.gz PJUPSLRSGMAUFX-PGOFDVKTSA-N 2 0 296.459 1.641 10 0 CDAERP CN1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H](c2ccccc2)C1 ZINC000900065097 622682039 /nfs/dbraw/zinc/68/20/39/622682039.db2.gz CKHKAZMNVCJVCH-MRXNPFEDSA-N 2 0 299.418 1.598 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC000900189026 622785558 /nfs/dbraw/zinc/78/55/58/622785558.db2.gz TZQIMXIGPOWMGH-CYBMUJFWSA-N 2 0 265.401 1.073 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)/C=C(/C)CN1CCOCC1 ZINC000900927016 623679604 /nfs/dbraw/zinc/67/96/04/623679604.db2.gz VRTRXXYTUPLTAU-SQFISAMPSA-N 2 0 297.443 1.113 10 0 CDAERP O=C(N1CC[NH+](C2CCCCC2)CC1)C12CC[NH+](CC1)C2 ZINC000901105615 623888170 /nfs/dbraw/zinc/88/81/70/623888170.db2.gz HOOQLSFAHGNTGP-UHFFFAOYSA-N 2 0 291.439 1.559 10 0 CDAERP CN1CC[C@](O)(C[NH2+][C@H]2CCC[C@@H](C3CCOCC3)C2)C1 ZINC000902954121 625688361 /nfs/dbraw/zinc/68/83/61/625688361.db2.gz QQQTVYRPTWMSOO-IKGGRYGDSA-N 2 0 296.455 1.628 10 0 CDAERP CCCn1cc([C@H](C)[NH2+][C@@H]2CCn3ccnc3C2)nn1 ZINC000902964133 625709473 /nfs/dbraw/zinc/70/94/73/625709473.db2.gz SZDBDDOPIWPQHL-NWDGAFQWSA-N 2 0 274.372 1.550 10 0 CDAERP CN1C[C@H](CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CC1=O ZINC000903211168 625903268 /nfs/dbraw/zinc/90/32/68/625903268.db2.gz BBENPQOXRGZHIS-BARDWOONSA-N 2 0 279.428 1.317 10 0 CDAERP COc1ccccc1CN(CCO)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903431108 625989976 /nfs/dbraw/zinc/98/99/76/625989976.db2.gz NAWYUGJDZNXVEA-HIFRSBDPSA-N 2 0 278.396 1.345 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000903459519 625994826 /nfs/dbraw/zinc/99/48/26/625994826.db2.gz UZMPHRXYSBQVAJ-BSWAZPDLSA-N 2 0 273.424 1.877 10 0 CDAERP COC[C@H](C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1)C(C)C ZINC000903459763 625995367 /nfs/dbraw/zinc/99/53/67/625995367.db2.gz ZEHXXFXYIPTEPU-ZFWWWQNUSA-N 2 0 295.431 1.292 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000903453716 626001261 /nfs/dbraw/zinc/00/12/61/626001261.db2.gz JLAIPMNHXNCFEK-WCVJEAGWSA-N 3 0 265.445 1.554 10 0 CDAERP COC[C@H](C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)C(C)C ZINC000903454070 626001536 /nfs/dbraw/zinc/00/15/36/626001536.db2.gz UEKJNLUHFSIPAL-XHSDSOJGSA-N 2 0 284.444 1.733 10 0 CDAERP FC1(F)C[C@@]2(CC[N@H+](CCN3CC[NH2+]CC3)C2)C1(F)F ZINC000903490975 626010498 /nfs/dbraw/zinc/01/04/98/626010498.db2.gz PIDWORBJKMRFIS-LLVKDONJSA-N 2 0 295.324 1.258 10 0 CDAERP CCCCc1nc(CN2C[C@@H](C)[C@H](CC[NH3+])C2)no1 ZINC000903496896 626011888 /nfs/dbraw/zinc/01/18/88/626011888.db2.gz IZXYLLIZVVZINN-VXGBXAGGSA-N 2 0 266.389 1.829 10 0 CDAERP [NH3+][C@@H]1CN(C[C@@H]2CCC[NH2+]C2)CC[C@H]1C(F)(F)F ZINC000903533107 626018465 /nfs/dbraw/zinc/01/84/65/626018465.db2.gz AVPJAYPKTBPAJZ-GMTAPVOTSA-N 2 0 265.323 1.198 10 0 CDAERP c1csc(C[C@H]2CCC[N@@H+](CCN3CC[NH2+]CC3)C2)n1 ZINC000903565715 626021166 /nfs/dbraw/zinc/02/11/66/626021166.db2.gz OSYMSUNIKPQEFK-CQSZACIVSA-N 2 0 294.468 1.303 10 0 CDAERP C(CN1CC[C@@H]2[NH2+]CC[C@@H]2C1)OC1CCSCC1 ZINC000903750360 626072103 /nfs/dbraw/zinc/07/21/03/626072103.db2.gz YRWUFXSYFMUIQM-OCCSQVGLSA-N 2 0 270.442 1.582 10 0 CDAERP C(c1[nH]nc2c1COCC2)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000903752695 626073832 /nfs/dbraw/zinc/07/38/32/626073832.db2.gz UDGWPXGDERSUJS-CQSZACIVSA-N 2 0 290.411 1.446 10 0 CDAERP C([C@@H]1CCCC[NH2+]C1)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903785200 626093511 /nfs/dbraw/zinc/09/35/11/626093511.db2.gz WIBWCPOLWXHETJ-HZPDHXFCSA-N 2 0 265.445 1.842 10 0 CDAERP C(C1CC1)[C@H]1COCC[N@@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903788051 626094702 /nfs/dbraw/zinc/09/47/02/626094702.db2.gz BCBRNSZMCFHSQV-JYJNAYRXSA-N 2 0 280.412 1.256 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)C(C2CC2)C2CC2)cnn1C ZINC000903888686 626123866 /nfs/dbraw/zinc/12/38/66/626123866.db2.gz JCUOCUBERWJHKO-ZDUSSCGKSA-N 2 0 290.455 1.966 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@@H+](C)CCC(C)C)cnn1C ZINC000903880884 626130834 /nfs/dbraw/zinc/13/08/34/626130834.db2.gz WQFOCSBRZQHCTN-CQSZACIVSA-N 2 0 266.433 1.824 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCCC(C)(C)C2)cnn1C ZINC000903886657 626133470 /nfs/dbraw/zinc/13/34/70/626133470.db2.gz STEBILMKQHTQTE-CQSZACIVSA-N 2 0 278.444 1.968 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@H+](C)CCC2CC2)cnn1C ZINC000903898915 626137431 /nfs/dbraw/zinc/13/74/31/626137431.db2.gz PIQNYPIKQCCNDZ-CQSZACIVSA-N 2 0 264.417 1.578 10 0 CDAERP CC[C@@H]1C[C@H](C)C[N@@H+]1C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903908402 626142107 /nfs/dbraw/zinc/14/21/07/626142107.db2.gz IGXXEYVWNUZAMD-DUVNUKRYSA-N 2 0 278.444 1.966 10 0 CDAERP CC[NH+](CC)CCCNCc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903928385 626149877 /nfs/dbraw/zinc/14/98/77/626149877.db2.gz YJVJBJZMMFFYNI-AWEZNQCLSA-N 2 0 294.447 1.024 10 0 CDAERP COC(=O)[C@@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1C ZINC000903916474 626156726 /nfs/dbraw/zinc/15/67/26/626156726.db2.gz SNCYAUDJBKBOPU-RKFYDKJMSA-N 2 0 266.385 1.400 10 0 CDAERP CCC[NH+]1CCC([NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903975131 626169645 /nfs/dbraw/zinc/16/96/45/626169645.db2.gz XTQSOGQLQRISGE-ZIAGYGMSSA-N 3 0 253.434 1.696 10 0 CDAERP C[NH+](C)CCOc1ccc(CN2C[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000903984544 626173443 /nfs/dbraw/zinc/17/34/43/626173443.db2.gz HKKHMGHJQVRBPI-INIZCTEOSA-N 2 0 291.439 1.796 10 0 CDAERP CC[N@H+](CCC(N)=O)Cc1cc2c(s1)CC[NH2+]C2 ZINC000903988159 626175232 /nfs/dbraw/zinc/17/52/32/626175232.db2.gz OMFYRUXXYXJBDE-UHFFFAOYSA-N 2 0 267.398 1.091 10 0 CDAERP C[C@H](Cc1nc(CC2CC[NH2+]CC2)no1)[C@@H]1CCC[NH2+]C1 ZINC000905317031 626745800 /nfs/dbraw/zinc/74/58/00/626745800.db2.gz DUKXNMUJATXTHY-TZMCWYRMSA-N 2 0 292.427 1.790 10 0 CDAERP C[NH2+]CCCCc1nc(CC2CC[NH2+]CC2)no1 ZINC000905308216 626757427 /nfs/dbraw/zinc/75/74/27/626757427.db2.gz GEPGVGUWKIZTRU-UHFFFAOYSA-N 2 0 252.362 1.154 10 0 CDAERP CC1(C)[C@H](c2nc(CC3CC[NH2+]CC3)no2)C[C@@H]1[NH3+] ZINC000905308138 626757682 /nfs/dbraw/zinc/75/76/82/626757682.db2.gz FWKMVKWDPBQWGZ-QWRGUYRKSA-N 2 0 264.373 1.453 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)c1nc(CC2CC[NH2+]CC2)no1 ZINC000905308635 626758188 /nfs/dbraw/zinc/75/81/88/626758188.db2.gz OWIIPKUNBMZBQB-ZDUSSCGKSA-N 2 0 280.416 1.873 10 0 CDAERP c1ccc2c(c1)C[NH2+]C[C@H]2c1nc(CC2CC[NH2+]CC2)no1 ZINC000905308517 626758218 /nfs/dbraw/zinc/75/82/18/626758218.db2.gz KZAZYNXHRUXSIY-OAHLLOKOSA-N 2 0 298.390 1.847 10 0 CDAERP CN(C(=O)[C@@H]1CCCCCC[C@@H]1[NH3+])c1cc(C[NH3+])ccn1 ZINC000906228958 627157716 /nfs/dbraw/zinc/15/77/16/627157716.db2.gz KVHBFWFJXABKJQ-KGLIPLIRSA-N 2 0 290.411 1.801 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC000906584991 627339129 /nfs/dbraw/zinc/33/91/29/627339129.db2.gz NQSKJWONAMPLTB-KGLIPLIRSA-N 2 0 267.417 1.319 10 0 CDAERP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)C12CC[NH+](CC1)C2 ZINC000907764681 627822894 /nfs/dbraw/zinc/82/28/94/627822894.db2.gz ZDOVKPKDDGBREI-CQSZACIVSA-N 2 0 277.412 1.215 10 0 CDAERP C[C@@H](C(=O)N1[C@@H](CC[NH+](C)C)CCC[C@@H]1C)[NH+](C)C ZINC000912648042 630125094 /nfs/dbraw/zinc/12/50/94/630125094.db2.gz CSLYYJVKRJCAJW-MELADBBJSA-N 2 0 269.433 1.658 10 0 CDAERP C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)Cn1ccnc1 ZINC000912650492 630127437 /nfs/dbraw/zinc/12/74/37/630127437.db2.gz MQKZBBRVURYFBN-KBPBESRZSA-N 2 0 278.400 1.604 10 0 CDAERP CN(C)c1cc[nH+]c(CNC(=O)N[C@H]2CCC[N@H+](C)C2)c1 ZINC000914314482 631333867 /nfs/dbraw/zinc/33/38/67/631333867.db2.gz WBHCVKRMMHSSGE-LBPRGKRZSA-N 2 0 291.399 1.041 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000914412134 631413157 /nfs/dbraw/zinc/41/31/57/631413157.db2.gz RUKKAVSJGFWLJS-RWMBFGLXSA-N 2 0 270.421 1.109 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000921704019 633215813 /nfs/dbraw/zinc/21/58/13/633215813.db2.gz GGZGLFWBHQWGJJ-LTIDMASMSA-N 2 0 295.471 1.417 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000249954781 1158556592 /nfs/dbraw/zinc/55/65/92/1158556592.db2.gz LAGYSRNPPYSRTH-MGPQQGTHSA-N 2 0 267.417 1.447 10 0 CDAERP C[C@H](NC(=O)C1([NH+](C)C)CCC1)[C@H](C)[NH2+]CCCF ZINC001725087720 1159027137 /nfs/dbraw/zinc/02/71/37/1159027137.db2.gz HXCHBMDKJYEAQM-RYUDHWBXSA-N 2 0 273.396 1.313 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001691398696 1159052386 /nfs/dbraw/zinc/05/23/86/1159052386.db2.gz HRNIMTFGIJWDTN-KBPBESRZSA-N 2 0 269.433 1.517 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CCF)C1 ZINC001690405515 1158488878 /nfs/dbraw/zinc/48/88/78/1158488878.db2.gz LIWUZOHJJUAPGG-HUUCEWRRSA-N 2 0 299.434 1.657 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)NCc2ccccc2F)CC[C@@H]1C[NH3+] ZINC000923499691 1161545794 /nfs/dbraw/zinc/54/57/94/1161545794.db2.gz NKDKEHSYPKGQEN-CHWSQXEVSA-N 2 0 293.386 1.359 10 0 CDAERP C[C@@H]1CC[C@@H]([NH2+]CC2([NH3+])CCOCC2)[C@@H](n2cncn2)C1 ZINC001646049190 1167622959 /nfs/dbraw/zinc/62/29/59/1167622959.db2.gz WZRKMEDMDLMPDE-MCIONIFRSA-N 2 0 293.415 1.105 10 0 CDAERP C[NH+](C)C1(C(=O)NC2CC[NH+](C)CC2)CCCC1 ZINC001540423243 1167918856 /nfs/dbraw/zinc/91/88/56/1167918856.db2.gz VRCJGMGQQHOJRT-UHFFFAOYSA-N 2 0 253.390 1.071 10 0 CDAERP C[NH+]1CCC(CC(=O)N[C@H]2C[C@H]([NH2+]CCCF)C2)CC1 ZINC001566806368 1168429802 /nfs/dbraw/zinc/42/98/02/1168429802.db2.gz IWNMTIQHZSQTHD-HDJSIYSDSA-N 2 0 285.407 1.315 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)c1ccc2c(c1)C[NH2+]CC2 ZINC001647283716 1168522267 /nfs/dbraw/zinc/52/22/67/1168522267.db2.gz ZHMZWRBNPQNJPF-OAHLLOKOSA-N 2 0 275.396 1.436 10 0 CDAERP O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)C12CCC[NH+]1CCC2 ZINC001647330462 1168566866 /nfs/dbraw/zinc/56/68/66/1168566866.db2.gz PTBCZJCIMDSUIW-OAHLLOKOSA-N 2 0 291.439 1.748 10 0 CDAERP CC(=O)N1CCC([N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)CC1 ZINC001647461402 1168727779 /nfs/dbraw/zinc/72/77/79/1168727779.db2.gz YTBFWNSCDIVJKS-INIZCTEOSA-N 2 0 297.443 1.040 10 0 CDAERP CC(C)=CC[NH+](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001567453364 1168773752 /nfs/dbraw/zinc/77/37/52/1168773752.db2.gz BNJIEONXSAVFFH-OAHLLOKOSA-N 2 0 293.455 1.875 10 0 CDAERP CC/C=C\CC[NH+]1CC(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001567841080 1169009299 /nfs/dbraw/zinc/00/92/99/1169009299.db2.gz OIIDOGMBQXOVLX-FOSCPCJNSA-N 2 0 293.455 1.733 10 0 CDAERP CCC[N@@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001567942768 1169086121 /nfs/dbraw/zinc/08/61/21/1169086121.db2.gz SRORQMOEPLBQGW-CYBMUJFWSA-N 2 0 255.406 1.271 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(C[NH2+]CCF)cc1 ZINC001568120042 1169140196 /nfs/dbraw/zinc/14/01/96/1169140196.db2.gz MIPQBGJZQYBREC-OAHLLOKOSA-N 2 0 293.386 1.456 10 0 CDAERP CCC[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001568876850 1169530335 /nfs/dbraw/zinc/53/03/35/1169530335.db2.gz ATJSOXCOKAKNDU-IYKSTZQJSA-N 2 0 281.444 1.779 10 0 CDAERP C[C@H](F)CC[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001568905714 1169543539 /nfs/dbraw/zinc/54/35/39/1169543539.db2.gz DICQXRLDUPRGCK-PINBIDLJSA-N 2 0 299.434 1.727 10 0 CDAERP CC(C)=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001570964014 1170324821 /nfs/dbraw/zinc/32/48/21/1170324821.db2.gz BSZLXWIKMYONBR-PHZGNYQRSA-N 2 0 293.455 1.587 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001571484274 1170449883 /nfs/dbraw/zinc/44/98/83/1170449883.db2.gz CHLHQNHDRUQXEY-KBPBESRZSA-N 2 0 269.433 1.707 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH3+])cc2)C1 ZINC000070542033 1171668742 /nfs/dbraw/zinc/66/87/42/1171668742.db2.gz WDGLFIOXKBEYFQ-CQSZACIVSA-N 2 0 261.369 1.012 10 0 CDAERP CC[NH2+]C[C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001666563428 1173152274 /nfs/dbraw/zinc/15/22/74/1173152274.db2.gz NOHOLNRHLFNBNU-STQMWFEESA-N 2 0 255.406 1.223 10 0 CDAERP c1cc(C[NH2+]CCNc2cnccn2)n(-c2cc[nH+]cc2)n1 ZINC001620859265 1173159147 /nfs/dbraw/zinc/15/91/47/1173159147.db2.gz DXXSWOQXCAUKCM-UHFFFAOYSA-N 2 0 295.350 1.259 10 0 CDAERP O=C(NC/C=C\C[NH2+]CCF)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001668883131 1173475656 /nfs/dbraw/zinc/47/56/56/1173475656.db2.gz NQDVNHHMVGPCOI-PQXPCTDFSA-N 2 0 283.391 1.235 10 0 CDAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]C/C=C\Cl ZINC001669289193 1173532201 /nfs/dbraw/zinc/53/22/01/1173532201.db2.gz SLMYCJKMMTVSKC-XHSUHYBKSA-N 2 0 287.835 1.706 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CC[C@@H](CC[NH2+]CC3CC3)C2)CC[N@@H+]1C ZINC001672796399 1173801033 /nfs/dbraw/zinc/80/10/33/1173801033.db2.gz ODXXHCPZFHHBAV-FVQBIDKESA-N 2 0 293.455 1.565 10 0 CDAERP CCCC[NH2+]CC1CC(NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001674551521 1173961514 /nfs/dbraw/zinc/96/15/14/1173961514.db2.gz RPCYAKORJQHWBP-UHFFFAOYSA-N 2 0 281.444 1.755 10 0 CDAERP CC[NH2+][C@H]1C[C@H](C)N(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001676782579 1174271478 /nfs/dbraw/zinc/27/14/78/1174271478.db2.gz HNAYYNOUJMQKCB-GJZGRUSLSA-N 2 0 281.444 1.851 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H](C[NH2+]C/C=C/Cl)C1 ZINC001690423654 1175467881 /nfs/dbraw/zinc/46/78/81/1175467881.db2.gz RHKCFXDNBLKJFJ-LVDDQXARSA-N 2 0 287.835 1.519 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC2CCC([NH2+]CCCF)CC2)C1 ZINC001690542772 1175491299 /nfs/dbraw/zinc/49/12/99/1175491299.db2.gz CFKFMMDZLQEBBZ-NFOMZHRRSA-N 2 0 299.434 1.705 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CCCF ZINC001690881074 1175598630 /nfs/dbraw/zinc/59/86/30/1175598630.db2.gz IJZXGKODOKRJSD-ZIAGYGMSSA-N 2 0 287.423 1.705 10 0 CDAERP CCCCC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001698578000 1175855245 /nfs/dbraw/zinc/85/52/45/1175855245.db2.gz SKFLAOBPTKGXID-HNNXBMFYSA-N 2 0 281.444 1.805 10 0 CDAERP C[C@H](C[NH2+]CC1=CCCCC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001698859259 1175967528 /nfs/dbraw/zinc/96/75/28/1175967528.db2.gz INUYQDHMTMBHHY-GDBMZVCRSA-N 2 0 293.455 1.875 10 0 CDAERP CC(C)[C@@H](C(=O)NC/C=C/C[NH2+]C/C=C\Cl)[NH+](C)C ZINC001699269795 1176189402 /nfs/dbraw/zinc/18/94/02/1176189402.db2.gz GOALPPNBCQIWFL-IMEDYANOSA-N 2 0 287.835 1.587 10 0 CDAERP CCC[NH2+]C[C@@H](C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001699380329 1176340348 /nfs/dbraw/zinc/34/03/48/1176340348.db2.gz IYDPPOMDDUNUHB-DOMZBBRYSA-N 2 0 287.423 1.703 10 0 CDAERP CC/C=C\CC[NH2+]C[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001699380323 1176340595 /nfs/dbraw/zinc/34/05/95/1176340595.db2.gz IUVLQDBKJIZODF-JBZXTQMFSA-N 2 0 281.444 1.779 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N(C)CCC[NH2+]CCF)CC1 ZINC001699544694 1176469141 /nfs/dbraw/zinc/46/91/41/1176469141.db2.gz OCJDBXOZDXKLGS-UHFFFAOYSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH2+]C[C@H]1CCCOC1 ZINC001699553680 1176472449 /nfs/dbraw/zinc/47/24/49/1176472449.db2.gz FOXRFFCIPSWDJQ-OAHLLOKOSA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1[NH2+]CCOC ZINC001699607290 1176497477 /nfs/dbraw/zinc/49/74/77/1176497477.db2.gz VAXNNWKOFGXEIQ-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001699966758 1176700555 /nfs/dbraw/zinc/70/05/55/1176700555.db2.gz KCJIEAGZDNNNAV-KBPBESRZSA-N 2 0 269.433 1.422 10 0 CDAERP CCC[NH2+]CC[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001700085024 1176742560 /nfs/dbraw/zinc/74/25/60/1176742560.db2.gz WADMDROLKVOBHX-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP CCCC[NH2+][C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001700267288 1176825381 /nfs/dbraw/zinc/82/53/81/1176825381.db2.gz MPPLHJJNTZTUFG-KGLIPLIRSA-N 2 0 281.444 1.565 10 0 CDAERP CCCC[NH+]1CC([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001700548876 1177010372 /nfs/dbraw/zinc/01/03/72/1177010372.db2.gz CUOFRYVAVHJWFN-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCCF)C1 ZINC001700630768 1177043245 /nfs/dbraw/zinc/04/32/45/1177043245.db2.gz CBDYCFSOJBDYIU-KKUMJFAQSA-N 2 0 299.434 1.703 10 0 CDAERP C[C@@H](CCC[NH2+]CCF)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001700681281 1177072752 /nfs/dbraw/zinc/07/27/52/1177072752.db2.gz MFWLGKKEGIRDFW-STQMWFEESA-N 2 0 273.396 1.172 10 0 CDAERP c1nc2ccccn2c1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000236697131 1178390013 /nfs/dbraw/zinc/39/00/13/1178390013.db2.gz LKZARMDBYYPMGV-UHFFFAOYSA-N 2 0 288.395 1.536 10 0 CDAERP CC[C@H](C)C[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001713316721 1178492703 /nfs/dbraw/zinc/49/27/03/1178492703.db2.gz XOKAEAMVERBKCG-STQMWFEESA-N 2 0 269.433 1.611 10 0 CDAERP CCOCC[N@@H+]1CCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001713509106 1178616745 /nfs/dbraw/zinc/61/67/45/1178616745.db2.gz XELCTTSBDZAWBI-CQSZACIVSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001713667113 1178702510 /nfs/dbraw/zinc/70/25/10/1178702510.db2.gz PZZWBSPPERMNEG-CQSZACIVSA-N 2 0 299.459 1.190 10 0 CDAERP CC/C=C\CC[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001713901707 1178831049 /nfs/dbraw/zinc/83/10/49/1178831049.db2.gz TZTVANZOUUCXQR-KRHNWMDASA-N 2 0 293.455 1.731 10 0 CDAERP CC(C)OCC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001714385156 1179116474 /nfs/dbraw/zinc/11/64/74/1179116474.db2.gz LRJDELZAACHPMO-OAHLLOKOSA-N 2 0 299.459 1.190 10 0 CDAERP CCCCC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001714659978 1179305175 /nfs/dbraw/zinc/30/51/75/1179305175.db2.gz DNYIAJHJUQZQTL-HNNXBMFYSA-N 2 0 281.444 1.851 10 0 CDAERP C[C@@H](C[NH2+]CCC1CC1)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001714750992 1179376272 /nfs/dbraw/zinc/37/62/72/1179376272.db2.gz PGRSOBWSCUORBB-KBPBESRZSA-N 2 0 281.444 1.565 10 0 CDAERP CC/C=C\CCN1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001714960051 1179477776 /nfs/dbraw/zinc/47/77/76/1179477776.db2.gz UNXXXOXPVUHQDK-DSYXLKISSA-N 2 0 265.401 1.095 10 0 CDAERP CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC[NH+]1CCCC1 ZINC001714991819 1179495480 /nfs/dbraw/zinc/49/54/80/1179495480.db2.gz MYLIPVYEBPTMFS-GJZGRUSLSA-N 2 0 279.428 1.558 10 0 CDAERP CC[C@H](C(=O)NC[C@H](CC)[NH2+]CC=C(C)C)[NH+](C)C ZINC001715061236 1179535073 /nfs/dbraw/zinc/53/50/73/1179535073.db2.gz AGDKMRMDJXGYGE-UONOGXRCSA-N 2 0 269.433 1.777 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CCCC[C@H]1CC[NH2+]CC1CC1 ZINC001715258201 1179599425 /nfs/dbraw/zinc/59/94/25/1179599425.db2.gz ZPIYUDZYRPMRCQ-INIZCTEOSA-N 2 0 293.455 1.853 10 0 CDAERP CC(C)=CC[NH2+]C/C=C/CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001715814957 1179841030 /nfs/dbraw/zinc/84/10/30/1179841030.db2.gz CSWQCHHISQYBDM-CWDCEQMOSA-N 2 0 291.439 1.556 10 0 CDAERP COC[C@@H](C)[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001715859052 1179876488 /nfs/dbraw/zinc/87/64/88/1179876488.db2.gz BDLABNYUJMQKMG-TXUBFAOLSA-N 2 0 297.443 1.014 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001715992047 1179969801 /nfs/dbraw/zinc/96/98/01/1179969801.db2.gz FQKLDPUYEVBVCH-ZDUSSCGKSA-N 2 0 269.433 1.469 10 0 CDAERP CC[NH2+]C[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001715998731 1179974086 /nfs/dbraw/zinc/97/40/86/1179974086.db2.gz SSIVWDXFNHDUBB-STQMWFEESA-N 2 0 255.406 1.365 10 0 CDAERP COCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001716026445 1180001877 /nfs/dbraw/zinc/00/18/77/1180001877.db2.gz FSUXVBLTDZTBKR-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CCF ZINC001716074632 1180030981 /nfs/dbraw/zinc/03/09/81/1180030981.db2.gz BXUCYZJYNXRAIG-CHWSQXEVSA-N 2 0 273.396 1.171 10 0 CDAERP CCN(CC[NH2+]C/C=C\Cl)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001716249101 1180118940 /nfs/dbraw/zinc/11/89/40/1180118940.db2.gz PEELMTNEFSQWSR-RYWCDNDXSA-N 2 0 287.835 1.519 10 0 CDAERP CCC[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001716659089 1180341335 /nfs/dbraw/zinc/34/13/35/1180341335.db2.gz SMOJTMCVKWMZMY-CYBMUJFWSA-N 2 0 267.417 1.461 10 0 CDAERP CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001717077067 1180524317 /nfs/dbraw/zinc/52/43/17/1180524317.db2.gz VNTIOSAZIYAKEH-KGLIPLIRSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)COCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001717753948 1180831079 /nfs/dbraw/zinc/83/10/79/1180831079.db2.gz ITWPHHFTUOLJBE-LSDHHAIUSA-N 2 0 299.459 1.047 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CC2CCC2)CN1C(=O)CC[NH+](C)C ZINC001717821724 1180879064 /nfs/dbraw/zinc/87/90/64/1180879064.db2.gz JEUFQZBCVNYSMM-TZMCWYRMSA-N 2 0 267.417 1.317 10 0 CDAERP CCC[N@H+](C)CC(=O)N(CC[NH+](C)CC)C(C)C ZINC001717952177 1180943310 /nfs/dbraw/zinc/94/33/10/1180943310.db2.gz RELGXZVKOYUJSO-UHFFFAOYSA-N 2 0 257.422 1.517 10 0 CDAERP CC[N@H+](C)CCC(=O)NCC1=CC[NH+](CCCF)CC1 ZINC001718031174 1180976548 /nfs/dbraw/zinc/97/65/48/1180976548.db2.gz QCIHLBDGOPPVJV-UHFFFAOYSA-N 2 0 285.407 1.436 10 0 CDAERP CCOCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001725160728 1181894026 /nfs/dbraw/zinc/89/40/26/1181894026.db2.gz LDYHIHAYMMRTNW-SOUVJXGZSA-N 2 0 299.459 1.190 10 0 CDAERP COCC[NH2+]C[C@@H](NC(=O)C1([NH+](C)C)CCC1)C(C)(C)C ZINC001725743521 1182119521 /nfs/dbraw/zinc/11/95/21/1182119521.db2.gz ZIHXGRLXALJCNL-CYBMUJFWSA-N 2 0 299.459 1.238 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001731618891 1182482986 /nfs/dbraw/zinc/48/29/86/1182482986.db2.gz UBZUSMDCFHFBAW-UONOGXRCSA-N 2 0 267.417 1.389 10 0 CDAERP CCC/C=C\CC[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001731983694 1182713537 /nfs/dbraw/zinc/71/35/37/1182713537.db2.gz LHCQZRMKKBCASS-IDTUSYRASA-N 2 0 281.444 1.733 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001732168826 1182827691 /nfs/dbraw/zinc/82/76/91/1182827691.db2.gz OXOHUSCAABSGOP-CQSZACIVSA-N 2 0 269.433 1.661 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]C(C)C ZINC001732753652 1183108778 /nfs/dbraw/zinc/10/87/78/1183108778.db2.gz HDWCTQYUPGQTSV-KBPBESRZSA-N 2 0 269.433 1.754 10 0 CDAERP C[C@H](C[NH2+]CC[C@@H]1CCCCO1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001732968615 1183210277 /nfs/dbraw/zinc/21/02/77/1183210277.db2.gz SEIJYBXVLJCTKV-QLFBSQMISA-N 2 0 297.443 1.134 10 0 CDAERP CCCCC[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001733411609 1183425658 /nfs/dbraw/zinc/42/56/58/1183425658.db2.gz HEEALDCWGZBLDJ-MRXNPFEDSA-N 2 0 281.444 1.853 10 0 CDAERP CC[NH2+]CC[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001733674741 1183494172 /nfs/dbraw/zinc/49/41/72/1183494172.db2.gz UJWSEEDYLQCGRI-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP CCCCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CCO1 ZINC001733752476 1183518923 /nfs/dbraw/zinc/51/89/23/1183518923.db2.gz ZTUWCOWEQMDVAT-OAHLLOKOSA-N 2 0 299.459 1.334 10 0 CDAERP CCCC[NH2+]CC1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001733957014 1183584076 /nfs/dbraw/zinc/58/40/76/1183584076.db2.gz RHPASFOYYPCEFG-NFOMZHRRSA-N 2 0 281.444 1.613 10 0 CDAERP CCCC[C@@H](C[NH2+]CCF)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001734093537 1183654851 /nfs/dbraw/zinc/65/48/51/1183654851.db2.gz LXUBYCHXJCWNNC-LSDHHAIUSA-N 2 0 299.434 1.562 10 0 CDAERP O=C(N[C@H]1C[C@H](C[NH2+]CCF)C1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001734210534 1183692510 /nfs/dbraw/zinc/69/25/10/1183692510.db2.gz MBXZXFWOQUMTOZ-TUVASFSCSA-N 2 0 297.418 1.457 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CCF)C2)CC1 ZINC001734481587 1183795591 /nfs/dbraw/zinc/79/55/91/1183795591.db2.gz QEIHBUIBZVQRBC-CHWSQXEVSA-N 2 0 285.407 1.172 10 0 CDAERP CCN(C(=O)NC[C@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](CC)C1 ZINC001772430986 1187226738 /nfs/dbraw/zinc/22/67/38/1187226738.db2.gz DRIDTZXAWFRLOR-CABCVRRESA-N 2 0 296.459 1.596 10 0 CDAERP CO[C@H](C)C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397595740 1187292662 /nfs/dbraw/zinc/29/26/62/1187292662.db2.gz PLTSZVDKWAWYIM-OAHLLOKOSA-N 2 0 292.423 1.638 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC001630756345 1166229492 /nfs/dbraw/zinc/22/94/92/1166229492.db2.gz XSNDIWUYCMDQER-QWHCGFSZSA-N 2 0 267.417 1.175 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC23CC[NH+](C)CC3)C1 ZINC001637424838 1166755429 /nfs/dbraw/zinc/75/54/29/1166755429.db2.gz ICLUBUXREGHMFA-CYBMUJFWSA-N 2 0 265.401 1.025 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)c2ccc(C[NH3+])o2)C1 ZINC000870994529 837394725 /nfs/dbraw/zinc/39/47/25/837394725.db2.gz QOBNBVBHGJNWGI-HNNXBMFYSA-N 2 0 279.384 1.575 10 0 CDAERP [NH3+][C@H]1C[C@H]([NH2+]CCc2ccc(CO)cc2)C12CCC2 ZINC000925635803 837725924 /nfs/dbraw/zinc/72/59/24/837725924.db2.gz PDOHXAQIUSPKQY-GJZGRUSLSA-N 2 0 260.381 1.581 10 0 CDAERP OC1CC[NH+](CCCN[C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925505267 837833866 /nfs/dbraw/zinc/83/38/66/837833866.db2.gz SDRYPZRRNGRUPF-HNNXBMFYSA-N 2 0 281.444 1.098 10 0 CDAERP CCNC(NC[C@H](C)[N@@H+]1CCC[C@H](C)C1)=[NH+]CC ZINC000066243323 835762823 /nfs/dbraw/zinc/76/28/23/835762823.db2.gz ISYGRFDSWZHMRB-STQMWFEESA-N 2 0 254.422 1.682 10 0 CDAERP C[C@@H]1CN(C(=[NH2+])NCC2([NH+](C)C)CCCCC2)CCO1 ZINC000848981195 835803578 /nfs/dbraw/zinc/80/35/78/835803578.db2.gz ZTRMNKPPLSFOMJ-CYBMUJFWSA-N 2 0 282.432 1.496 10 0 CDAERP CC(=O)Nc1cccc2c1CN(C[C@H]1CC[NH2+]C1)CC2 ZINC000866684261 835806138 /nfs/dbraw/zinc/80/61/38/835806138.db2.gz KMJUDVVLCKJZRU-ZDUSSCGKSA-N 2 0 273.380 1.613 10 0 CDAERP C[C@H]1CCC[N@H+](CCN[C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925549071 835857008 /nfs/dbraw/zinc/85/70/08/835857008.db2.gz FATOYZJEDLIPRD-LSDHHAIUSA-N 2 0 265.445 1.983 10 0 CDAERP CC[C@@H]1CCN(C(=[NH2+])NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000864456455 835880809 /nfs/dbraw/zinc/88/08/09/835880809.db2.gz JEKHMIBUGBDLMO-MGPQQGTHSA-N 2 0 280.416 1.106 10 0 CDAERP C([C@H]1C[C@H]2CCC[C@@H]2O1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000720883701 835917075 /nfs/dbraw/zinc/91/70/75/835917075.db2.gz YFUUNSMJVSCCNI-APIJFGDWSA-N 2 0 250.386 1.629 10 0 CDAERP CC[C@@H](C[C@@](C)(O)CC)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000924633684 836006948 /nfs/dbraw/zinc/00/69/48/836006948.db2.gz SEKWOSGKSHLDFF-RDJZCZTQSA-N 2 0 299.503 1.932 10 0 CDAERP Cc1nnc(CC[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)o1 ZINC000930805700 836032037 /nfs/dbraw/zinc/03/20/37/836032037.db2.gz ILPNVCFPXVTOFT-UHFFFAOYSA-N 2 0 287.367 1.528 10 0 CDAERP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)C1 ZINC000723648106 836161347 /nfs/dbraw/zinc/16/13/47/836161347.db2.gz SUDQOYPXBZEOPZ-CAEXGNQWSA-N 2 0 252.402 1.909 10 0 CDAERP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1nccs1 ZINC000092721558 836169202 /nfs/dbraw/zinc/16/92/02/836169202.db2.gz WXECZHIVYGCLMA-SNVBAGLBSA-N 2 0 254.403 1.217 10 0 CDAERP C[C@@H]([NH3+])c1ccc(NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)cc1 ZINC000870936865 836252811 /nfs/dbraw/zinc/25/28/11/836252811.db2.gz DMATUIBNXLCWOT-NYMYIZQJSA-N 2 0 259.353 1.772 10 0 CDAERP C[C@@H](C[NH2+][C@@H]1CCOC12CCCCC2)N1CC[NH+](C)CC1 ZINC000924965727 836270980 /nfs/dbraw/zinc/27/09/80/836270980.db2.gz PBICDBPZQQGLEA-JKSUJKDBSA-N 2 0 295.471 1.704 10 0 CDAERP C[C@H](c1cc(F)ccc1F)N1CC[NH2+]CC[NH2+]CC1 ZINC000923460175 836289335 /nfs/dbraw/zinc/28/93/35/836289335.db2.gz CCRKOGYWJCIIJX-LLVKDONJSA-N 2 0 269.339 1.521 10 0 CDAERP CCOCC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000923363990 836303458 /nfs/dbraw/zinc/30/34/58/836303458.db2.gz HJIGBHACDYNWAI-QLFBSQMISA-N 2 0 270.417 1.238 10 0 CDAERP CC1(C)[C@H]([NH2+]CC[C@H]2CCCO2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925535683 836486455 /nfs/dbraw/zinc/48/64/55/836486455.db2.gz IWMISZMNSFQASK-YIYPIFLZSA-N 2 0 252.402 1.922 10 0 CDAERP Fc1cccc(Cl)c1CCN1CC[NH2+]CC[NH2+]CC1 ZINC000923463771 836508967 /nfs/dbraw/zinc/50/89/67/836508967.db2.gz VKNFVDSWUMQXKY-UHFFFAOYSA-N 2 0 285.794 1.516 10 0 CDAERP CC[NH+](CC)CC[C@@H](CO)[NH2+]CC1(O)CCCCC1 ZINC000843103590 836847049 /nfs/dbraw/zinc/84/70/49/836847049.db2.gz MRERQTCCEMUXBO-AWEZNQCLSA-N 2 0 272.433 1.364 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)NC2CCC([NH+](C)C)CC2)CC[N@@H+]1C ZINC000922931375 836855424 /nfs/dbraw/zinc/85/54/24/836855424.db2.gz QUXVJRKAZKWWOR-RYSNWHEDSA-N 2 0 282.432 1.251 10 0 CDAERP [NH3+]CCC[N@H+](CC1CCCC1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923352853 836862188 /nfs/dbraw/zinc/86/21/88/836862188.db2.gz GKIAJVCRVIMGCE-HNNXBMFYSA-N 3 0 281.444 1.206 10 0 CDAERP C[C@H](C[NH2+]CC1CN(C(=O)OC(C)(C)C)C1)N(C)C ZINC000710947846 836863933 /nfs/dbraw/zinc/86/39/33/836863933.db2.gz BLEFRZLWVTWOLF-LLVKDONJSA-N 2 0 271.405 1.393 10 0 CDAERP O=C1CCC2=C(CC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)N1 ZINC000852753740 836910181 /nfs/dbraw/zinc/91/01/81/836910181.db2.gz HLMSPGUKBHUWIT-GFCCVEGCSA-N 2 0 263.385 1.246 10 0 CDAERP C[C@](O)(C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)C(F)(F)F ZINC000925628734 836924024 /nfs/dbraw/zinc/92/40/24/836924024.db2.gz HYHOXZYLNQVNCS-KKZNHRDASA-N 2 0 268.323 1.795 10 0 CDAERP CC1(C)[C@@H]([NH2+][C@H]2CCc3c[nH]nc3C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925618328 836934654 /nfs/dbraw/zinc/93/46/54/836934654.db2.gz ZLDUDKCQSOXXAQ-NEBZKDRISA-N 2 0 274.412 1.633 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000842007245 837029843 /nfs/dbraw/zinc/02/98/43/837029843.db2.gz SAKJHEFSWPMIFC-CHWSQXEVSA-N 2 0 292.427 1.625 10 0 CDAERP CCn1nc(C)c([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)n1 ZINC000926667360 837065163 /nfs/dbraw/zinc/06/51/63/837065163.db2.gz ZBURNBUKAUOABN-RTXFEEFZSA-N 2 0 265.405 1.597 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CNC(=S)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000848648167 837267820 /nfs/dbraw/zinc/26/78/20/837267820.db2.gz TWXOYUCQMJIHPO-MELADBBJSA-N 2 0 298.500 1.275 10 0 CDAERP Cc1cc(NC(=O)CC[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)no1 ZINC000923498305 837973390 /nfs/dbraw/zinc/97/33/90/837973390.db2.gz OAYQIRMTPMHCLT-PWSUYJOCSA-N 2 0 280.372 1.228 10 0 CDAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CCOC1CCOCC1)CC2 ZINC000923445675 837983293 /nfs/dbraw/zinc/98/32/93/837983293.db2.gz KZVFVWJLKQGLLB-HNNXBMFYSA-N 2 0 298.427 1.012 10 0 CDAERP COC(=O)C1=CC[C@H]([NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000863541884 837998223 /nfs/dbraw/zinc/99/82/23/837998223.db2.gz LUVOOOOMVJITJB-GDKBPFBDSA-N 2 0 252.358 1.355 10 0 CDAERP CC1(C)[C@H]([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)[C@@H]2CCO[C@@H]21 ZINC000925522384 838016020 /nfs/dbraw/zinc/01/60/20/838016020.db2.gz NAJZNBANRVMPSE-YYHQMBLXSA-N 2 0 250.386 1.659 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C[C@H]1CCCOC1 ZINC000850353697 838027415 /nfs/dbraw/zinc/02/74/15/838027415.db2.gz KFPJMINFFFNXOF-LSDHHAIUSA-N 2 0 271.449 1.275 10 0 CDAERP O=C(CCc1ncc[nH]1)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928083707 838051177 /nfs/dbraw/zinc/05/11/77/838051177.db2.gz ATPRNRLTXYUMEJ-RYUDHWBXSA-N 2 0 294.424 1.038 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1cncc2ccccc21 ZINC000863485888 838054574 /nfs/dbraw/zinc/05/45/74/838054574.db2.gz BJLFJMGXLBAMOD-UHFFFAOYSA-N 2 0 259.353 1.690 10 0 CDAERP C[NH+](C)CCCC[NH2+][C@H]1CCOC12CCOCC2 ZINC000924856851 838066082 /nfs/dbraw/zinc/06/60/82/838066082.db2.gz YMXDGIJHTQPSGY-ZDUSSCGKSA-N 2 0 256.390 1.256 10 0 CDAERP COc1ccccc1[C@H](O)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000843342564 838130122 /nfs/dbraw/zinc/13/01/22/838130122.db2.gz NPXHSLHMVXSZNB-DSJMHWKBSA-N 2 0 290.407 1.706 10 0 CDAERP C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(F)cc2)CC[C@@H]1C[NH3+] ZINC000923490468 838237501 /nfs/dbraw/zinc/23/75/01/838237501.db2.gz CUCPJMPVPMQJMJ-UMVBOHGHSA-N 2 0 296.386 1.482 10 0 CDAERP C[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1cscn1 ZINC000925844017 838780588 /nfs/dbraw/zinc/78/05/88/838780588.db2.gz IIVDORGDYZEQPX-ZDUSSCGKSA-N 2 0 282.457 1.869 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@H](C)[NH2+]C1CC1 ZINC000846693033 838804498 /nfs/dbraw/zinc/80/44/98/838804498.db2.gz ZGJLDISNFZMPEU-NSHDSACASA-N 2 0 261.369 1.163 10 0 CDAERP COC1(OC)CC[C@@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000926308135 838804580 /nfs/dbraw/zinc/80/45/80/838804580.db2.gz MEYPECXMMBCSNW-AWEZNQCLSA-N 2 0 268.401 1.602 10 0 CDAERP C[C@@H]1C[C@@H](C[N@@H+]2CCc3nccc(N)c3C2)CCO1 ZINC000931516779 838811352 /nfs/dbraw/zinc/81/13/52/838811352.db2.gz AYQZXRMTNTWSMW-NEPJUHHUSA-N 2 0 261.369 1.837 10 0 CDAERP COCC[N@H+](C)CCC[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000924654122 838892298 /nfs/dbraw/zinc/89/22/98/838892298.db2.gz PTSAHBRQXRAORP-ZNMIVQPWSA-N 2 0 252.402 1.899 10 0 CDAERP Nc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)nn1 ZINC000703967059 838947055 /nfs/dbraw/zinc/94/70/55/838947055.db2.gz AOTVGZKRUXDDII-UHFFFAOYSA-N 2 0 275.400 1.367 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCCN2CCSC[C@H]12 ZINC000925826962 838956470 /nfs/dbraw/zinc/95/64/70/838956470.db2.gz PHROCBOWJJVCRB-ZDEQEGDKSA-N 2 0 257.447 1.282 10 0 CDAERP CCc1noc([C@@H]2CC[C@H]([NH2+][C@H](C)C3C[NH2+]C3)C2)n1 ZINC000925872624 839049204 /nfs/dbraw/zinc/04/92/04/839049204.db2.gz IINLAHLJIGITBN-FOGDFJRCSA-N 2 0 264.373 1.466 10 0 CDAERP C[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)CC[C@H]1C[NH3+] ZINC000923490459 839102713 /nfs/dbraw/zinc/10/27/13/839102713.db2.gz CRQPLVKLBLIKSU-KXUCPTDWSA-N 2 0 254.296 1.216 10 0 CDAERP FC1(F)CC12CC[NH+](C[C@@H]1CC3(C[NH2+]C3)CO1)CC2 ZINC000923387991 839261974 /nfs/dbraw/zinc/26/19/74/839261974.db2.gz PXKQVXGYEPNAME-NSHDSACASA-N 2 0 272.339 1.486 10 0 CDAERP O=C1CCCN1C[C@H]1CC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923395761 839279125 /nfs/dbraw/zinc/27/91/25/839279125.db2.gz PZOGWFBJMHBROC-ZDUSSCGKSA-N 2 0 265.401 1.073 10 0 CDAERP COC(=O)c1cc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])n(C)c1C ZINC000925769744 839290750 /nfs/dbraw/zinc/29/07/50/839290750.db2.gz PZDMZKKRTAMOPU-ZJUUUORDSA-N 2 0 267.373 1.336 10 0 CDAERP O[C@@H](CN[C@H]1CC[NH2+]C12CCC2)COc1cccc(F)c1 ZINC000925500737 839421328 /nfs/dbraw/zinc/42/13/28/839421328.db2.gz GKUBDKQETILEPB-ZFWWWQNUSA-N 2 0 294.370 1.440 10 0 CDAERP CC[C@H]([NH2+]CCC[N@H+](C)CCOC)[C@H]1CCCOC1 ZINC000872022519 839431241 /nfs/dbraw/zinc/43/12/41/839431241.db2.gz JHHCJGLNHNCHSG-GJZGRUSLSA-N 2 0 272.433 1.750 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)Nc2ccc(F)c(F)c2)CC[C@H]1C[NH3+] ZINC000923507343 839457341 /nfs/dbraw/zinc/45/73/41/839457341.db2.gz KKKJTDHUZCIJGB-MNOVXSKESA-N 2 0 297.349 1.820 10 0 CDAERP Cc1cccc([C@H](O)C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925606796 839642823 /nfs/dbraw/zinc/64/28/23/839642823.db2.gz LLVPXURCJPSUOM-KFWWJZLASA-N 2 0 260.381 1.888 10 0 CDAERP ClC1(Cl)C[C@H]1CCN1CC[NH2+]CC[NH2+]CC1 ZINC000923460063 839671287 /nfs/dbraw/zinc/67/12/87/839671287.db2.gz PDNJPEGXQQYZGD-SNVBAGLBSA-N 2 0 266.216 1.065 10 0 CDAERP C[N@@H+]1CCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)CCC1(C)C ZINC000717380060 839777027 /nfs/dbraw/zinc/77/70/27/839777027.db2.gz ARVHBKQAGXPTEI-LLVKDONJSA-N 2 0 289.370 1.174 10 0 CDAERP C[C@@H]1[C@H](COC(=O)c2ccc3c[nH+]cn3c2)CC[N@@H+]1C ZINC000845819156 839812159 /nfs/dbraw/zinc/81/21/59/839812159.db2.gz DVGPYTZREUBLHY-YPMHNXCESA-N 2 0 273.336 1.831 10 0 CDAERP OC[C@H]1C=C[C@@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925617955 839854283 /nfs/dbraw/zinc/85/42/83/839854283.db2.gz YGKHSRFWAFFTSF-UKMLZYKCSA-N 2 0 264.413 1.681 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CC[NH+](C)[C@H](C(C)(C)C)C2)CC[N@@H+]1C ZINC000880612665 839865489 /nfs/dbraw/zinc/86/54/89/839865489.db2.gz LVJFFGMQRKGUSU-KKUMJFAQSA-N 2 0 295.471 1.905 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC000925427025 839872973 /nfs/dbraw/zinc/87/29/73/839872973.db2.gz CXMXJFRPGZYLGR-CYBMUJFWSA-N 2 0 282.432 1.206 10 0 CDAERP Cn1c2cc(C[N@H+](C)C3CCC([NH3+])CC3)ccc2oc1=O ZINC000866661745 839916653 /nfs/dbraw/zinc/91/66/53/839916653.db2.gz STPFZARAPVARSG-UHFFFAOYSA-N 2 0 289.379 1.833 10 0 CDAERP C[C@@H]1CCCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)[C@@H]1CC[NH3+] ZINC000872302700 839936790 /nfs/dbraw/zinc/93/67/90/839936790.db2.gz JCDOXKZVGDFNCV-VVSAWPALSA-N 2 0 265.401 1.090 10 0 CDAERP CC[C@@H](CNC(=[NH2+])NC1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000066242878 840024458 /nfs/dbraw/zinc/02/44/58/840024458.db2.gz KBIADMXXYNJFIG-INIZCTEOSA-N 2 0 286.423 1.890 10 0 CDAERP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCOC(F)(F)F)C2 ZINC000713408930 840084108 /nfs/dbraw/zinc/08/41/08/840084108.db2.gz RJJUVNBMQRURHU-GUBZILKMSA-N 2 0 252.280 1.725 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC(C)(C)N1CCOCC1 ZINC000924552437 840179519 /nfs/dbraw/zinc/17/95/19/840179519.db2.gz DHYFWBHJMBMKRA-YIONKMFJSA-N 2 0 281.444 1.027 10 0 CDAERP Cc1cc(NC(=O)CC[N@H+](C)CCCCCC[NH3+])no1 ZINC000710695279 840236028 /nfs/dbraw/zinc/23/60/28/840236028.db2.gz SVZMQGAQWPDOJX-UHFFFAOYSA-N 2 0 282.388 1.763 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCOCC(F)(F)C(F)F ZINC000926291267 840274647 /nfs/dbraw/zinc/27/46/47/840274647.db2.gz UIMLHIZAGXNOJA-ZACCUICWSA-N 2 0 298.324 1.833 10 0 CDAERP CC(C)C[C@H](CNC(=[NH2+])N1CCO[C@@H](C)C1)[NH+](C)C ZINC000848983831 840286260 /nfs/dbraw/zinc/28/62/60/840286260.db2.gz GJCXKTZZZLQQDT-QWHCGFSZSA-N 2 0 270.421 1.208 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000924994881 840393590 /nfs/dbraw/zinc/39/35/90/840393590.db2.gz WWPLABDJQSSEKT-QVOMUQBLSA-N 2 0 281.444 1.170 10 0 CDAERP COC(=O)C1=CC[C@H]([NH2+]C2CC[NH+](C(C)C)CC2)C1 ZINC000858475928 840405938 /nfs/dbraw/zinc/40/59/38/840405938.db2.gz LTSOPSNGSIXKOS-AWEZNQCLSA-N 2 0 266.385 1.711 10 0 CDAERP [NH3+][C@H]1C[C@@H]([NH2+]CCOc2ccc(Cl)cn2)C12CCC2 ZINC000925588035 840442115 /nfs/dbraw/zinc/44/21/15/840442115.db2.gz MLBGCUPAEMKVNI-NWDGAFQWSA-N 2 0 281.787 1.973 10 0 CDAERP C[N@@H+]1C[C@@]2(C)CN(CCO[C@@H]3CC3(F)F)C[C@@]2(C)C1 ZINC000931319252 840515704 /nfs/dbraw/zinc/51/57/04/840515704.db2.gz XUOPHWZDGMIGTA-UPJWGTAASA-N 2 0 274.355 1.684 10 0 CDAERP c1cn(CCC[N@@H+]2CC[C@H]3CSC[C@H]3C2)cn1 ZINC000879562993 840574354 /nfs/dbraw/zinc/57/43/54/840574354.db2.gz PKWZUNBRESQADC-QWHCGFSZSA-N 2 0 251.399 1.958 10 0 CDAERP C[C@H]([NH3+])CCC(=O)Nc1cccc(OCC[NH3+])c1 ZINC000841847979 840674225 /nfs/dbraw/zinc/67/42/25/840674225.db2.gz ORUBOCJGKPGTIG-JTQLQIEISA-N 2 0 251.330 1.090 10 0 CDAERP CC1([NH3+])CC[NH+](C[C@@H]2CC3(CO2)CCOCC3)CC1 ZINC000712624226 840720686 /nfs/dbraw/zinc/72/06/86/840720686.db2.gz LWWNGUZZCHENBY-ZDUSSCGKSA-N 2 0 268.401 1.385 10 0 CDAERP C[C@@H]1C[C@H]1NC(=[NH2+])NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000864452009 840825915 /nfs/dbraw/zinc/82/59/15/840825915.db2.gz KTPVXUFOAQAMDE-XJFOESAGSA-N 2 0 266.433 1.877 10 0 CDAERP Cc1csc(=O)n1CC[N@H+](C)CCCCCC[NH3+] ZINC000710833790 840875598 /nfs/dbraw/zinc/87/55/98/840875598.db2.gz LSVCHMRUKFHMGT-UHFFFAOYSA-N 2 0 271.430 1.669 10 0 CDAERP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CCO[C@@H]2CCOC2)C1 ZINC000923391873 840894861 /nfs/dbraw/zinc/89/48/61/840894861.db2.gz GAERAKXHJAEFHA-WCVJEAGWSA-N 2 0 298.427 1.153 10 0 CDAERP Cc1ccsc1CNC(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923498210 840925030 /nfs/dbraw/zinc/92/50/30/840925030.db2.gz KAVAFRDZWGLIIO-STQMWFEESA-N 2 0 295.452 1.589 10 0 CDAERP CC[S@@](=O)CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000850130922 840977932 /nfs/dbraw/zinc/97/79/32/840977932.db2.gz OPJSPAFLYVXZRB-LJQANCHMSA-N 2 0 278.381 1.126 10 0 CDAERP C[NH+](C)CC1(O)CC[NH+](C[C@](C)(O)c2ccccc2)CC1 ZINC000931484840 841024268 /nfs/dbraw/zinc/02/42/68/841024268.db2.gz UKEBMSOSRYDZMH-INIZCTEOSA-N 2 0 292.423 1.283 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2CCCC3)CC[N@@H+]1C ZINC000715371391 841035010 /nfs/dbraw/zinc/03/50/10/841035010.db2.gz VEBDHWHUNUNIKK-IXYNUQLISA-N 2 0 279.428 1.365 10 0 CDAERP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)C(C)(C)CO ZINC000925437119 841047363 /nfs/dbraw/zinc/04/73/63/841047363.db2.gz KEDNAHVZRJWWAI-KFWWJZLASA-N 2 0 286.460 1.872 10 0 CDAERP CO[C@]1(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CCSC1 ZINC000719312197 841141702 /nfs/dbraw/zinc/14/17/02/841141702.db2.gz BRDICUINJCKRPA-UPJWGTAASA-N 2 0 258.431 1.581 10 0 CDAERP CC1(C)CO[C@H](C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000872142635 841271107 /nfs/dbraw/zinc/27/11/07/841271107.db2.gz AADNAFGJEJPHGN-KBPBESRZSA-N 2 0 297.443 1.121 10 0 CDAERP C[C@@H](CCc1ccco1)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925811798 841281895 /nfs/dbraw/zinc/28/18/95/841281895.db2.gz SBWPMHGEEACCTI-ZDUSSCGKSA-N 2 0 265.401 1.613 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc2c(c1)OCC(=O)N2 ZINC000925879462 841361858 /nfs/dbraw/zinc/36/18/58/841361858.db2.gz FFMUUVBPFVZDTD-LOWVWBTDSA-N 2 0 289.379 1.796 10 0 CDAERP C[C@@H](CNC(=O)C[C@H]1CCC[NH2+]C1)[NH+]1CCCCC1 ZINC000054292277 841393063 /nfs/dbraw/zinc/39/30/63/841393063.db2.gz PNFZQPQPFQHKDA-UONOGXRCSA-N 2 0 267.417 1.367 10 0 CDAERP CC(C)NC(=O)CC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925597344 841424530 /nfs/dbraw/zinc/42/45/30/841424530.db2.gz YLKISKGJATURCJ-RYUDHWBXSA-N 2 0 255.406 1.397 10 0 CDAERP C[C@@]1(C[NH+]2CCC([C@@H](O)c3ncc[nH]3)CC2)CC[NH2+]C1 ZINC000843120139 841474417 /nfs/dbraw/zinc/47/44/17/841474417.db2.gz ZPMQTWYGZJLMOQ-UKRRQHHQSA-N 2 0 278.400 1.155 10 0 CDAERP Cc1cc(N[C@H]2C[NH2+]CC3(CCOCC3)C2)cc[nH+]1 ZINC000720237055 841647387 /nfs/dbraw/zinc/64/73/87/841647387.db2.gz JDJBHGCKJBJASR-CQSZACIVSA-N 2 0 261.369 1.383 10 0 CDAERP C[N@H+]1CC=C(C[NH2+]Cc2cnn(CCF)c2)CC1 ZINC000921968449 841822713 /nfs/dbraw/zinc/82/27/13/841822713.db2.gz MUJGXLYRPMFPKM-UHFFFAOYSA-N 2 0 252.337 1.204 10 0 CDAERP CC(C)OCC[C@H](O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000923329742 841835646 /nfs/dbraw/zinc/83/56/46/841835646.db2.gz YEGDSOIAWPUNAL-JYJNAYRXSA-N 2 0 284.444 1.626 10 0 CDAERP C[NH+](C)CC1(O)CC[NH+](C[C@@H]2CCC3(CCC3)O2)CC1 ZINC000712511956 841844805 /nfs/dbraw/zinc/84/48/05/841844805.db2.gz SUJYQGZVBPRDMF-AWEZNQCLSA-N 2 0 282.428 1.477 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000216154992 841854735 /nfs/dbraw/zinc/85/47/35/841854735.db2.gz XUKLNYVBIFRIIK-JHJVBQTASA-N 2 0 253.390 1.057 10 0 CDAERP C[C@@H]1C[N@H+](CCCS(=O)(=O)C(C)(C)C)CC[C@@H]1C[NH3+] ZINC000718670323 841874800 /nfs/dbraw/zinc/87/48/00/841874800.db2.gz RNKKMOVJYVRMPJ-CHWSQXEVSA-N 2 0 290.473 1.507 10 0 CDAERP CC[C@H]([C@@H]1CCOC1)[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000710164890 841877518 /nfs/dbraw/zinc/87/75/18/841877518.db2.gz AIFKZFMYJFWKAU-ZYHUDNBSSA-N 2 0 281.425 1.775 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857853955 841890116 /nfs/dbraw/zinc/89/01/16/841890116.db2.gz WIOPDKYYEVLOMP-TZMCWYRMSA-N 2 0 277.416 1.013 10 0 CDAERP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1cccc2c1OCCO2 ZINC000925874448 841900775 /nfs/dbraw/zinc/90/07/75/841900775.db2.gz JWJPTWVJTZAOCD-ZFWWWQNUSA-N 2 0 290.407 1.978 10 0 CDAERP CN(CCC[NH+](C)C)CCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000111150463 841977562 /nfs/dbraw/zinc/97/75/62/841977562.db2.gz KIAURXNDIHBGSF-UHFFFAOYSA-N 2 0 296.463 1.050 10 0 CDAERP C[C@@H](C[NH2+]Cc1cnc(Cl)n1C)CN1CC[NH+](C)CC1 ZINC000848533309 841999444 /nfs/dbraw/zinc/99/94/44/841999444.db2.gz IVQLJIQOSMGKTN-LBPRGKRZSA-N 2 0 299.850 1.047 10 0 CDAERP [NH3+]Cc1ccc2c(c1)CCCN2C(=O)CC1([NH3+])CC1 ZINC000852796618 842058800 /nfs/dbraw/zinc/05/88/00/842058800.db2.gz HGBYUZCEJLLPHX-UHFFFAOYSA-N 2 0 259.353 1.306 10 0 CDAERP C[C@@H]([NH2+]CCOC(F)(F)C(F)(F)F)C1C[NH2+]C1 ZINC000720228160 842078609 /nfs/dbraw/zinc/07/86/09/842078609.db2.gz CJVLEQZRLIBYTG-ZCFIWIBFSA-N 2 0 262.222 1.356 10 0 CDAERP CC(=O)NCCC[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000924598455 842097861 /nfs/dbraw/zinc/09/78/61/842097861.db2.gz DNZHANCKJUDIKF-ZIAGYGMSSA-N 2 0 253.390 1.119 10 0 CDAERP CC[C@@H]1CCN(C(=[NH2+])NC[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC000864467684 842115983 /nfs/dbraw/zinc/11/59/83/842115983.db2.gz XEMPVFIDDRUMMZ-KGLIPLIRSA-N 2 0 282.432 1.089 10 0 CDAERP CCCC[N@@H+]1CCCC[C@@H]1CNC1=[NH+]CCCCN1 ZINC000849215845 842156528 /nfs/dbraw/zinc/15/65/28/842156528.db2.gz HGWNQYXHUWKYQB-CQSZACIVSA-N 2 0 266.433 1.970 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)C(C)(C)[C@H]([NH3+])C(C)C)C1 ZINC000713009449 842165000 /nfs/dbraw/zinc/16/50/00/842165000.db2.gz POFUDJWWLAURGA-ZIAGYGMSSA-N 2 0 283.460 1.939 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711350113 842309684 /nfs/dbraw/zinc/30/96/84/842309684.db2.gz VCGKTNSVZMJZET-OLZOCXBDSA-N 2 0 269.433 1.325 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000852869274 842578363 /nfs/dbraw/zinc/57/83/63/842578363.db2.gz ASZXPZOPXQQGKA-INIZCTEOSA-N 2 0 291.439 1.631 10 0 CDAERP CC(C)OCC[C@H](O)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923494689 842608979 /nfs/dbraw/zinc/60/89/79/842608979.db2.gz ZYSWSLFGWBNUJI-MJBXVCDLSA-N 2 0 258.406 1.079 10 0 CDAERP CC(C)[C@@H](C)NC(=O)C[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714488433 842616534 /nfs/dbraw/zinc/61/65/34/842616534.db2.gz YFLXBMNTXSLONT-CYBMUJFWSA-N 2 0 283.460 1.844 10 0 CDAERP C[NH+](C)[C@@H]1[C@H]2CN(C[C@@H]3CCC(C)(C)CO3)C[C@H]21 ZINC000931278503 842687806 /nfs/dbraw/zinc/68/78/06/842687806.db2.gz YPQRIVGWEQWCSH-IGQOVBAYSA-N 2 0 252.402 1.683 10 0 CDAERP CC[NH+]1CCC(CNC(=O)C(C)(C)[C@@H]([NH3+])C(C)C)CC1 ZINC000713010257 842770799 /nfs/dbraw/zinc/77/07/99/842770799.db2.gz SRWBGFNLASXCMA-AWEZNQCLSA-N 2 0 283.460 1.844 10 0 CDAERP CC(C)(C[NH3+])C1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000714411315 842776737 /nfs/dbraw/zinc/77/67/37/842776737.db2.gz MSBRDKPNBMKKLS-JTQLQIEISA-N 2 0 268.323 1.607 10 0 CDAERP [NH3+]CCCCCCNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000846681049 842804626 /nfs/dbraw/zinc/80/46/26/842804626.db2.gz YFFDAWPEHPBIGM-QWHCGFSZSA-N 2 0 253.390 1.152 10 0 CDAERP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+]C2CCN(C=O)CC2)C1 ZINC000925886450 842848877 /nfs/dbraw/zinc/84/88/77/842848877.db2.gz HGPDDGCOOXUJPB-CALCHBBNSA-N 2 0 287.407 1.256 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]C2CCC(C(N)=O)CC2)C1 ZINC000925603331 842867717 /nfs/dbraw/zinc/86/77/17/842867717.db2.gz LYYQKCOZOKBDQM-PYNQCMFNSA-N 2 0 267.417 1.526 10 0 CDAERP Cc1cc(C)n2c(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)cnc2n1 ZINC000261968551 842870053 /nfs/dbraw/zinc/87/00/53/842870053.db2.gz HYISAJZWGAMJRG-UHFFFAOYSA-N 2 0 299.422 1.922 10 0 CDAERP CC[NH+](CC)CCN(CC(C)C)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000091546771 842871415 /nfs/dbraw/zinc/87/14/15/842871415.db2.gz JBCNZJPOKVJVLJ-LSDHHAIUSA-N 2 0 283.460 1.940 10 0 CDAERP Cc1nnc(CC[NH2+][C@H]2CCCN3CCCC[C@H]23)s1 ZINC000926445294 842872268 /nfs/dbraw/zinc/87/22/68/842872268.db2.gz XETJYQJBNARCKJ-QWHCGFSZSA-N 2 0 280.441 1.996 10 0 CDAERP C([NH2+][C@@H]1CC[NH2+]C12CCC2)C1CC[NH+](C2CC2)CC1 ZINC000925658870 842886448 /nfs/dbraw/zinc/88/64/48/842886448.db2.gz JTOPTYQZBIVSHS-OAHLLOKOSA-N 3 0 263.429 1.735 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CCC1CCCC1 ZINC001567050489 1168044826 /nfs/dbraw/zinc/04/48/26/1168044826.db2.gz APPJQCKDDXJYGC-ZDUSSCGKSA-N 2 0 269.433 1.613 10 0 CDAERP CCCC[NH2+][C@H](CC)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001567984760 1168080180 /nfs/dbraw/zinc/08/01/80/1168080180.db2.gz SLZLEULAFAJIJP-ZIAGYGMSSA-N 2 0 269.433 1.613 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001566576500 1168343443 /nfs/dbraw/zinc/34/34/43/1168343443.db2.gz QEGYSUJYXVJBMF-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP C(C1CCOCC1)[C@@H]1COCCN1C[C@@H]1CCC[NH2+]C1 ZINC001647548697 1168807762 /nfs/dbraw/zinc/80/77/62/1168807762.db2.gz WPYBBNBEWRECOF-HZPDHXFCSA-N 2 0 282.428 1.504 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)CC1CC1 ZINC001480880632 895167939 /nfs/dbraw/zinc/16/79/39/895167939.db2.gz VUEWUDMQONSFRZ-GJZGRUSLSA-N 2 0 279.428 1.461 10 0 CDAERP CN(CC[NH2+]CC1CCC1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001266742860 895954198 /nfs/dbraw/zinc/95/41/98/895954198.db2.gz COUSZIXXRHFCPO-AWEZNQCLSA-N 2 0 267.417 1.319 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001266770507 896013590 /nfs/dbraw/zinc/01/35/90/896013590.db2.gz XPKIYFKMICPZLD-AWEZNQCLSA-N 2 0 267.417 1.320 10 0 CDAERP CC(C)(C(=O)N1CCCC[C@H]1C[NH2+]CCF)[NH+]1CCCC1 ZINC001266874274 896261204 /nfs/dbraw/zinc/26/12/04/896261204.db2.gz ISYZRYLFZGJIAA-AWEZNQCLSA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)CCC[N@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001480914503 896602692 /nfs/dbraw/zinc/60/26/92/896602692.db2.gz ZVGPHCBCZJIMRT-OAHLLOKOSA-N 2 0 283.460 1.812 10 0 CDAERP C[NH+](C)C1(C)CCC(NC(=O)[C@@]2(C)CCC[NH2+]2)CC1 ZINC000707988435 896838282 /nfs/dbraw/zinc/83/82/82/896838282.db2.gz XMLKURSLFUPJAI-PESDSKBTSA-N 2 0 267.417 1.508 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCC1SCCS1 ZINC000693779716 897290140 /nfs/dbraw/zinc/29/01/40/897290140.db2.gz MBPRRPAHQNDPMZ-JTQLQIEISA-N 2 0 264.460 1.526 10 0 CDAERP CN(CC[NH2+]CC[C@H]1CCCO1)C(=O)C[N@H+](C)C1CCC1 ZINC001267384594 897827133 /nfs/dbraw/zinc/82/71/33/897827133.db2.gz YGQYGSQJRIQQAZ-OAHLLOKOSA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@@H](C(=O)N(C)CC[NH2+]Cc1ccc(F)cc1)[NH+](C)C ZINC001267457103 897937863 /nfs/dbraw/zinc/93/78/63/897937863.db2.gz RWFPFKBRRHABJY-HNNXBMFYSA-N 2 0 295.402 1.714 10 0 CDAERP CC/C=C\CC[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001567604581 1168884858 /nfs/dbraw/zinc/88/48/58/1168884858.db2.gz HXTYRYCSLREGBE-GXMNPTEKSA-N 2 0 267.417 1.342 10 0 CDAERP COCCC[NH2+]CCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001481246309 899625963 /nfs/dbraw/zinc/62/59/63/899625963.db2.gz SHLVBJXXXAZLTG-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)C[NH2+]CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001481302919 900270488 /nfs/dbraw/zinc/27/04/88/900270488.db2.gz SXMGAHAOTUTHQU-ZDUSSCGKSA-N 2 0 255.406 1.032 10 0 CDAERP CC[C@H](C(=O)N(C)CC[NH2+]C/C=C/Cl)[NH+](C)C ZINC001481304059 900280975 /nfs/dbraw/zinc/28/09/75/900280975.db2.gz HHGSCOSEKUIQPS-XUIVZRPNSA-N 2 0 261.797 1.127 10 0 CDAERP C[C@H](C[NH2+]CCC1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268099931 901287243 /nfs/dbraw/zinc/28/72/43/901287243.db2.gz JEAGKJLJSYUUED-TZMCWYRMSA-N 2 0 267.417 1.175 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]CCF ZINC001268196976 901552813 /nfs/dbraw/zinc/55/28/13/901552813.db2.gz VSVJDWOKKMHFRV-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP CCN(CC[NH2+]C[C@H]1CCCOC1)C(=O)C[N@H+](C)C(C)C ZINC001268499394 902402175 /nfs/dbraw/zinc/40/21/75/902402175.db2.gz KZSNKIOINKZMPP-OAHLLOKOSA-N 2 0 299.459 1.191 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ccsc1 ZINC001268521063 902498917 /nfs/dbraw/zinc/49/89/17/902498917.db2.gz FOCNAJCLZWPPHX-PYLYLYNFSA-N 2 0 293.436 1.604 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+][C@H](C)COC ZINC001268630436 902845836 /nfs/dbraw/zinc/84/58/36/902845836.db2.gz KWGNITPTXAETTN-WLBISTCBSA-N 2 0 297.443 1.158 10 0 CDAERP C[C@H](C[NH2+]CCc1ccccc1F)NC(=O)CC[NH+](C)C ZINC001268660571 902915163 /nfs/dbraw/zinc/91/51/63/902915163.db2.gz QLVNFJCULYURPS-CYBMUJFWSA-N 2 0 295.402 1.414 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@H]2CCCC[C@H]2C[NH2+]CCF)CCC1 ZINC001268763080 903099714 /nfs/dbraw/zinc/09/97/14/903099714.db2.gz CYRYEFZQERKJAB-KBPBESRZSA-N 2 0 299.434 1.705 10 0 CDAERP CCCCC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001482196294 903170167 /nfs/dbraw/zinc/17/01/67/903170167.db2.gz RPIJRTUIJQPCCK-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001269344608 903718183 /nfs/dbraw/zinc/71/81/83/903718183.db2.gz DTZQOGLQCNFVHG-CQSZACIVSA-N 2 0 269.433 1.661 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CCCF)CCN1C(=O)C[NH+]1CCCC1 ZINC001269982194 904246435 /nfs/dbraw/zinc/24/64/35/904246435.db2.gz ULBQGCLXDYWUPO-ZIAGYGMSSA-N 2 0 285.407 1.411 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CCF ZINC001270605317 904784529 /nfs/dbraw/zinc/78/45/29/904784529.db2.gz YPPDTSZVJSXBLO-OLZOCXBDSA-N 2 0 273.396 1.172 10 0 CDAERP CCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001280263351 904871884 /nfs/dbraw/zinc/87/18/84/904871884.db2.gz GAIZTZZTQREVGG-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)[C@@]23CC[NH+](C2)CCC3)CC[N@@H+]1C ZINC000896667614 906101941 /nfs/dbraw/zinc/10/19/41/906101941.db2.gz JAULUIUJYFPDCY-NFAWXSAZSA-N 2 0 265.401 1.071 10 0 CDAERP COCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001271677748 906589898 /nfs/dbraw/zinc/58/98/98/906589898.db2.gz NQFCKMUXMMRQSJ-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP COCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C ZINC001272033924 907574141 /nfs/dbraw/zinc/57/41/41/907574141.db2.gz LAPFDWLWLGABIK-LSDHHAIUSA-N 2 0 297.443 1.040 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001482597060 907779196 /nfs/dbraw/zinc/77/91/96/907779196.db2.gz LBCUANHOPGLAHB-MGPQQGTHSA-N 2 0 287.423 1.465 10 0 CDAERP CC[C@H](C[N@H+](C)CCN(C)C(=O)C[C@@H]1CC[NH+](C)C1)OC ZINC001482642819 908106702 /nfs/dbraw/zinc/10/67/02/908106702.db2.gz UWUNKMMVDJSLMK-LSDHHAIUSA-N 2 0 299.459 1.143 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001482690768 908290150 /nfs/dbraw/zinc/29/01/50/908290150.db2.gz BTTXOWFBZVJQHS-GJZGRUSLSA-N 2 0 293.455 1.757 10 0 CDAERP CC[NH2+]CC[C@@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001482841979 908419263 /nfs/dbraw/zinc/41/92/63/908419263.db2.gz RLWBSINXPDGETI-OLZOCXBDSA-N 2 0 255.406 1.365 10 0 CDAERP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@H]1CCC(C)(C)CO1)C2 ZINC000713595969 909630568 /nfs/dbraw/zinc/63/05/68/909630568.db2.gz JWXXHYKDFLSXIZ-GZBFAFLISA-N 2 0 252.402 1.733 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]C/C=C\Cl)CC[N@@H+]1C ZINC001483129287 909697901 /nfs/dbraw/zinc/69/79/01/909697901.db2.gz AYEMPRASWXCAEM-CGRPGPNWSA-N 2 0 287.835 1.564 10 0 CDAERP C[C@@H](C[NH2+]CCCF)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001483235400 910470346 /nfs/dbraw/zinc/47/03/46/910470346.db2.gz ONKJXXXNVATXMR-DZGCQCFKSA-N 2 0 299.434 1.847 10 0 CDAERP C[C@@H](C[N@H+](C)CCCF)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001483339649 910933697 /nfs/dbraw/zinc/93/36/97/910933697.db2.gz RVZABQPTQLHHAJ-GXTWGEPZSA-N 2 0 285.407 1.124 10 0 CDAERP CCCCC[N@H+](C)C[C@H](C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001483409300 911077832 /nfs/dbraw/zinc/07/78/32/911077832.db2.gz SDEVRDKOHBWFIN-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001483605137 911311101 /nfs/dbraw/zinc/31/11/01/911311101.db2.gz FAAAUPMFIALKCF-JSGCOSHPSA-N 2 0 285.407 1.315 10 0 CDAERP CC(C)CC[NH+]1CC(N(C)C(=O)CCC[NH+](C)C)C1 ZINC001483876316 915160896 /nfs/dbraw/zinc/16/08/96/915160896.db2.gz UPUJOJBWONXYMN-UHFFFAOYSA-N 2 0 269.433 1.517 10 0 CDAERP CC[C@H](C)C[NH+]1CC(N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001483892197 915184879 /nfs/dbraw/zinc/18/48/79/915184879.db2.gz DNBAUKCNGRKMIK-ZDUSSCGKSA-N 2 0 269.433 1.515 10 0 CDAERP C[C@@]1(C[NH2+]CCF)CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001484101840 915434465 /nfs/dbraw/zinc/43/44/65/915434465.db2.gz NVKTXGMKRTTYLV-HNNXBMFYSA-N 2 0 297.418 1.413 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](CC[NH2+]CC3CC3)C2)C1 ZINC001484549696 915876595 /nfs/dbraw/zinc/87/65/95/915876595.db2.gz KZBJEENUTRWPPH-GJZGRUSLSA-N 2 0 279.428 1.176 10 0 CDAERP CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001484814539 916183926 /nfs/dbraw/zinc/18/39/26/916183926.db2.gz MJOBTNLPOULJJF-CYBMUJFWSA-N 2 0 267.417 1.461 10 0 CDAERP CC(C)=CC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001484898589 916253903 /nfs/dbraw/zinc/25/39/03/916253903.db2.gz YENLAOWTDJKMCF-UONOGXRCSA-N 2 0 267.417 1.341 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+]CC1CC(C)C1 ZINC001568190547 1169169392 /nfs/dbraw/zinc/16/93/92/1169169392.db2.gz LTLKCLCSICIWCQ-MOKVOYLWSA-N 2 0 269.433 1.326 10 0 CDAERP CCCC[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001485348804 916869258 /nfs/dbraw/zinc/86/92/58/916869258.db2.gz BFPUUHLWTFDXOD-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP CC[C@H](C[N@H+](C)C1CCN(C(=O)CC[NH+](C)C)CC1)OC ZINC001485763001 917261203 /nfs/dbraw/zinc/26/12/03/917261203.db2.gz LQDBIIWIUUCAPE-OAHLLOKOSA-N 2 0 299.459 1.286 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001366404720 917394758 /nfs/dbraw/zinc/39/47/58/917394758.db2.gz BRNJXWFWRHQQLL-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)C[NH2+]C[C@@H](NC(=O)[C@H]1CN(C)CCO1)C(C)(C)C ZINC001486389958 920974185 /nfs/dbraw/zinc/97/41/85/920974185.db2.gz FLDKFSQBAJBZKU-ZIAGYGMSSA-N 2 0 299.459 1.094 10 0 CDAERP CC(C)C[NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)C(C)(C)C ZINC001486419821 920991163 /nfs/dbraw/zinc/99/11/63/920991163.db2.gz KMLNXLXYHFAAOX-AWEZNQCLSA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)CCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001486482505 921058868 /nfs/dbraw/zinc/05/88/68/921058868.db2.gz GODRVWSXMQOIRB-QQFBHYJXSA-N 2 0 295.471 1.953 10 0 CDAERP CCC[N@H+]1CC=C(CNC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001486519627 921096379 /nfs/dbraw/zinc/09/63/79/921096379.db2.gz WCHNXBUYWJRYKU-HNNXBMFYSA-N 2 0 279.428 1.487 10 0 CDAERP CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CC1CCC1)[NH+](C)C ZINC001568312605 1169238631 /nfs/dbraw/zinc/23/86/31/1169238631.db2.gz NZMMYUCKRURDAU-GXTWGEPZSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)CC[C@H](O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923327681 923738156 /nfs/dbraw/zinc/73/81/56/923738156.db2.gz GKQXUVVICYXSPA-IXXDHKBRSA-N 2 0 254.418 1.998 10 0 CDAERP CC/C=C/CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001649452867 1169261264 /nfs/dbraw/zinc/26/12/64/1169261264.db2.gz JHVZKGUQJVWNKQ-XEVLESSRSA-N 2 0 281.444 1.921 10 0 CDAERP COC(=O)c1ccccc1C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923496156 923872691 /nfs/dbraw/zinc/87/26/91/923872691.db2.gz FZZYQNSRPGXMKE-OLZOCXBDSA-N 2 0 276.380 1.890 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)[NH2+]CC=C(C)C)[NH+](C)C ZINC001491495625 936925196 /nfs/dbraw/zinc/92/51/96/936925196.db2.gz OFKLQLAOEMUXSR-CHWSQXEVSA-N 2 0 255.406 1.387 10 0 CDAERP C[C@H](CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC1CCC1 ZINC001410427710 925649695 /nfs/dbraw/zinc/64/96/95/925649695.db2.gz AVPCVRSFDOXKQR-ZIAGYGMSSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001442128701 937016687 /nfs/dbraw/zinc/01/66/87/937016687.db2.gz CYPVVWSOXCZJAX-UONOGXRCSA-N 2 0 299.434 1.657 10 0 CDAERP CC[NH2+][C@@H]1CCCCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001489234118 926850129 /nfs/dbraw/zinc/85/01/29/926850129.db2.gz QUTRAIJPSXTSJI-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@@H](NC(=O)C[NH+]1CCCC1)C1CC[NH+](CC2CC2)CC1 ZINC001411231907 927277208 /nfs/dbraw/zinc/27/72/08/927277208.db2.gz DBWWERCXUQFJBF-CQSZACIVSA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001490680249 927279484 /nfs/dbraw/zinc/27/94/84/927279484.db2.gz URDORBKJDXHQQN-KBPBESRZSA-N 2 0 267.417 1.364 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCCF ZINC001319455416 931205597 /nfs/dbraw/zinc/20/55/97/931205597.db2.gz SCWXQYBPOFPVIP-KGLIPLIRSA-N 2 0 287.423 1.655 10 0 CDAERP CC(C)OCC[NH2+]C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001275219369 931702766 /nfs/dbraw/zinc/70/27/66/931702766.db2.gz NVBPLOQZECHXJL-AWEZNQCLSA-N 2 0 297.443 1.134 10 0 CDAERP CCCCC[NH2+]CC1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001275324089 931735070 /nfs/dbraw/zinc/73/50/70/931735070.db2.gz QYLCFNYTKNZSIO-UHFFFAOYSA-N 2 0 281.444 1.757 10 0 CDAERP C[C@@H](C[NH2+]CC=C(Cl)Cl)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001275445241 931798872 /nfs/dbraw/zinc/79/88/72/931798872.db2.gz ARSDTPPDEFKGQJ-VHSXEESVSA-N 2 0 294.226 1.351 10 0 CDAERP CC[N@@H+]1CC[C@@H]1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001411819287 932048452 /nfs/dbraw/zinc/04/84/52/932048452.db2.gz ZRWMAPPWAMTPRE-HUUCEWRRSA-N 2 0 279.428 1.415 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CCF ZINC001275807111 932053454 /nfs/dbraw/zinc/05/34/54/932053454.db2.gz QOGHBJKFJZDRJO-KBPBESRZSA-N 2 0 287.423 1.562 10 0 CDAERP C[C@@H](CCNC(=O)C1([NH+](C)C)CCCC1)[NH+](C)C ZINC001146891625 932345017 /nfs/dbraw/zinc/34/50/17/932345017.db2.gz SUXFHZYTVUMWLL-LBPRGKRZSA-N 2 0 255.406 1.317 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)CC1 ZINC001412712682 932656848 /nfs/dbraw/zinc/65/68/48/932656848.db2.gz LGSKPOJNWHELOX-HUUCEWRRSA-N 2 0 295.471 1.905 10 0 CDAERP C[C@H](F)CC[NH2+]CCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001276226728 932662516 /nfs/dbraw/zinc/66/25/16/932662516.db2.gz IUCWTGRSVKYUQU-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP OCC1(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CCOCC1 ZINC000925618939 932915312 /nfs/dbraw/zinc/91/53/12/932915312.db2.gz XFIQOKMPIHDCPB-HZPDHXFCSA-N 2 0 296.455 1.533 10 0 CDAERP CCC[C@@H](C)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925855504 932947437 /nfs/dbraw/zinc/94/74/37/932947437.db2.gz PLLXFTOJJGUVLI-NEPJUHHUSA-N 2 0 254.374 1.450 10 0 CDAERP C[NH+]1CCC(C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000686980872 934218951 /nfs/dbraw/zinc/21/89/51/934218951.db2.gz DKJFHXVPSMIDMK-ZDUSSCGKSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@H](CN1CCC2(CCC[N@@H+]2C)CC1)C[NH+]1CCOCC1 ZINC001412973316 935130019 /nfs/dbraw/zinc/13/00/19/935130019.db2.gz ULRNAZQCKXZDMT-MRXNPFEDSA-N 2 0 295.471 1.515 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001493210158 935569030 /nfs/dbraw/zinc/56/90/30/935569030.db2.gz GZVPTCYSSRETJV-HUUCEWRRSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1conc1C)[NH+](C)C ZINC001568677378 1169426955 /nfs/dbraw/zinc/42/69/55/1169426955.db2.gz BLPDVEXVWMSSPO-RISCZKNCSA-N 2 0 296.415 1.308 10 0 CDAERP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccnc(F)c1 ZINC001331510868 945329615 /nfs/dbraw/zinc/32/96/15/945329615.db2.gz LYCGCXSWYCLXOP-ZDUSSCGKSA-N 2 0 280.391 1.336 10 0 CDAERP CC[C@]1(C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC[NH2+]C1 ZINC001329645673 940778185 /nfs/dbraw/zinc/77/81/85/940778185.db2.gz CTRMCSQBYABOID-DOMZBBRYSA-N 2 0 267.417 1.271 10 0 CDAERP CCCCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001276852923 941643985 /nfs/dbraw/zinc/64/39/85/941643985.db2.gz KYYJHTFKQOYTMO-HOTGVXAUSA-N 2 0 293.455 1.709 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H](C[NH2+]CCF)C1 ZINC001276995994 941790424 /nfs/dbraw/zinc/79/04/24/941790424.db2.gz RBZLADNYJVWZKB-IHRRRGAJSA-N 2 0 285.407 1.315 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]CC=C(C)C)C1 ZINC001277074478 941915207 /nfs/dbraw/zinc/91/52/07/941915207.db2.gz IDFVGRGDEVMSHY-SHTZXODSSA-N 2 0 281.444 1.779 10 0 CDAERP CC[C@@H](C(=O)N(CC)CC[NH2+]CC1CC1)[NH+](C)C ZINC001568775783 1169471216 /nfs/dbraw/zinc/47/12/16/1169471216.db2.gz LHERDIFRJZHPGA-ZDUSSCGKSA-N 2 0 255.406 1.175 10 0 CDAERP CC1CC[NH+](CC(=O)N2CCCC[C@@H]2C[NH2+]CCF)CC1 ZINC001280455671 942446231 /nfs/dbraw/zinc/44/62/31/942446231.db2.gz UZVKVXZCLZESHH-OAHLLOKOSA-N 2 0 299.434 1.659 10 0 CDAERP CCOCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001280706992 942476709 /nfs/dbraw/zinc/47/67/09/942476709.db2.gz FISWHLHHXJHENO-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)CCC[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001281771061 942619127 /nfs/dbraw/zinc/61/91/27/942619127.db2.gz YFELZPCMHIOBDD-GJZGRUSLSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@@H](F)CC[NH2+]CC1CC(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001282045456 942650690 /nfs/dbraw/zinc/65/06/90/942650690.db2.gz GIXHBCCFDDDSJT-IYXRBSQSSA-N 2 0 299.434 1.561 10 0 CDAERP CCCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001282724591 942745068 /nfs/dbraw/zinc/74/50/68/942745068.db2.gz ILSYRVFMCUFKSJ-UKRRQHHQSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001283630991 942952639 /nfs/dbraw/zinc/95/26/39/942952639.db2.gz HXMPJGVHSDAZIJ-KGLIPLIRSA-N 2 0 269.433 1.563 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001284034913 943056614 /nfs/dbraw/zinc/05/66/14/943056614.db2.gz XBQULCJHDSYTIL-CABCVRRESA-N 2 0 281.444 1.851 10 0 CDAERP CCCC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC1(C)C ZINC001284313050 943145235 /nfs/dbraw/zinc/14/52/35/943145235.db2.gz MUGAHDQDMSTLMJ-CQSZACIVSA-N 2 0 295.471 1.955 10 0 CDAERP CCOCC[NH+]1CCC([C@@H](C)NC(=O)CC[NH+](C)C)CC1 ZINC001284696075 943243789 /nfs/dbraw/zinc/24/37/89/943243789.db2.gz ZPARLUIIIQLLAF-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001263811900 943983110 /nfs/dbraw/zinc/98/31/10/943983110.db2.gz CCNLQKQYYUMJJZ-ZIAGYGMSSA-N 2 0 267.417 1.269 10 0 CDAERP CCC[NH2+][C@H]1C[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001263849281 944002616 /nfs/dbraw/zinc/00/26/16/944002616.db2.gz CNBSRVRYWLHLAW-MELADBBJSA-N 2 0 267.417 1.223 10 0 CDAERP CCCC[NH2+][C@@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001277920705 944043746 /nfs/dbraw/zinc/04/37/46/944043746.db2.gz AYHBSXFYKVIGBE-ZDUSSCGKSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)[C@H](C(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21)[NH+](C)C ZINC001263995617 944057269 /nfs/dbraw/zinc/05/72/69/944057269.db2.gz HVZYAILNSILCPZ-IGQOVBAYSA-N 2 0 267.417 1.029 10 0 CDAERP CC(C)[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CCCF)C1)[NH+](C)C ZINC001264432565 944135772 /nfs/dbraw/zinc/13/57/72/944135772.db2.gz ZRKLTQMKNDTKMD-MGPQQGTHSA-N 2 0 287.423 1.417 10 0 CDAERP CO[C@@H](C)C[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001265845403 944537963 /nfs/dbraw/zinc/53/79/63/944537963.db2.gz MQAPKISAGQGFOQ-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CCC2CC2)C1 ZINC001266040717 944649005 /nfs/dbraw/zinc/64/90/05/944649005.db2.gz NCJKLBGQCILDEG-HNNXBMFYSA-N 2 0 281.444 1.565 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]C(C)C ZINC001266191857 944742737 /nfs/dbraw/zinc/74/27/37/944742737.db2.gz LLQSSVLTCZQXCV-UONOGXRCSA-N 2 0 269.433 1.754 10 0 CDAERP COCCCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H]1C ZINC001278325383 946168040 /nfs/dbraw/zinc/16/80/40/946168040.db2.gz IUKASTYQRHMPKZ-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP C[N@H+](CCC[NH+]1CCCC1)CC1CCC(O)CC1 ZINC001261638988 946208608 /nfs/dbraw/zinc/20/86/08/946208608.db2.gz RVSDCLDCXLJQEL-UHFFFAOYSA-N 2 0 254.418 1.955 10 0 CDAERP CN(CCC[NH+]1CCCC1)C(=O)C1([NH+](C)C)CCCC1 ZINC001362439186 971273304 /nfs/dbraw/zinc/27/33/04/971273304.db2.gz XUQDOLSANXVXAZ-UHFFFAOYSA-N 2 0 281.444 1.805 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001362472907 971311894 /nfs/dbraw/zinc/31/18/94/971311894.db2.gz WYQTVKUDZOIOPT-KHEOEIQESA-N 2 0 293.455 1.848 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CC12CC[NH+](C/C=C/Cl)CC2 ZINC001479985660 971525599 /nfs/dbraw/zinc/52/55/99/971525599.db2.gz SVSBHTLRRMVHOV-LPZVBRGNSA-N 2 0 299.846 1.661 10 0 CDAERP CCCC[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001569027065 1169602744 /nfs/dbraw/zinc/60/27/44/1169602744.db2.gz XCCBPDCKLHIONM-CQSZACIVSA-N 2 0 269.433 1.613 10 0 CDAERP CCCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001569038395 1169606389 /nfs/dbraw/zinc/60/63/89/1169606389.db2.gz LARPGOGCHKSLHN-KGLIPLIRSA-N 2 0 269.433 1.755 10 0 CDAERP CC(C)OCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001480146728 971601749 /nfs/dbraw/zinc/60/17/49/971601749.db2.gz DOAQFQMKKKSQLU-KKUMJFAQSA-N 2 0 297.443 1.133 10 0 CDAERP C[NH+](C)CCCC(=O)N1CC[C@](C)(C[NH2+]CCCF)C1 ZINC001278542119 949853971 /nfs/dbraw/zinc/85/39/71/949853971.db2.gz HDDANSFNBYQMRT-OAHLLOKOSA-N 2 0 287.423 1.516 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)NC(C)(C)C[NH+](C)C)CC1 ZINC001362797960 971628061 /nfs/dbraw/zinc/62/80/61/971628061.db2.gz IVMQAYPCTRPYKX-UHFFFAOYSA-N 2 0 283.460 1.811 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)[NH2+]CCC1CCOCC1)[NH+](C)C ZINC001480487022 971751393 /nfs/dbraw/zinc/75/13/93/971751393.db2.gz QZXMQZZIYLTMMP-DZGCQCFKSA-N 2 0 299.459 1.238 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1cncs1 ZINC001480576741 971791827 /nfs/dbraw/zinc/79/18/27/971791827.db2.gz LPIZOYXGLYVPDN-LLVKDONJSA-N 2 0 284.429 1.079 10 0 CDAERP CC[C@H](C(=O)N1CC[C@H](C[NH2+]CCF)C1)[NH+](CC)CC ZINC001480663195 971829206 /nfs/dbraw/zinc/82/92/06/971829206.db2.gz FWHZERHQAQXUBA-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP CCOCC[NH2+][C@H](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001480777104 971874077 /nfs/dbraw/zinc/87/40/77/971874077.db2.gz WVCTUQGSQGDRCJ-CQSZACIVSA-N 2 0 297.443 1.136 10 0 CDAERP C[NH+](C)C1(C(=O)NCC2CC[NH+](C3CC3)CC2)CCCC1 ZINC001363112414 971898428 /nfs/dbraw/zinc/89/84/28/971898428.db2.gz PSGDEDQBKCMQNP-UHFFFAOYSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)[C@H](C(C)(C)C)C2)C1 ZINC001363695907 953664583 /nfs/dbraw/zinc/66/45/83/953664583.db2.gz HAQVCZFSKQYYKO-KGLIPLIRSA-N 2 0 281.444 1.517 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCCC[C@H]2[NH3+])CC[N@@H+]1C ZINC001326373528 954344937 /nfs/dbraw/zinc/34/49/37/954344937.db2.gz XEYAEKGLAXAMPU-YIYPIFLZSA-N 2 0 267.417 1.445 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCCC[C@@H]2[NH3+])CC[N@@H+]1C ZINC001326373526 954345870 /nfs/dbraw/zinc/34/58/70/954345870.db2.gz XEYAEKGLAXAMPU-SYQHCUMBSA-N 2 0 267.417 1.445 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC001326372946 954346456 /nfs/dbraw/zinc/34/64/56/954346456.db2.gz SVNZUPNHTCTWNE-CABNGKKXSA-N 2 0 265.401 1.103 10 0 CDAERP CN(CC[NH+](C)C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001294236116 954479150 /nfs/dbraw/zinc/47/91/50/954479150.db2.gz QKKANSDEUBWWIZ-OLZOCXBDSA-N 2 0 255.406 1.127 10 0 CDAERP [NH3+]CC1(CC[NH2+]C2CCN(CC(F)F)CC2)CC1 ZINC001326729580 954513978 /nfs/dbraw/zinc/51/39/78/954513978.db2.gz WTAPXDZXTHSGKL-UHFFFAOYSA-N 2 0 261.360 1.435 10 0 CDAERP C[N@@H+]1C[C@@H]2CN(C[C@H]3CCC[C@@]4(CCOC4)O3)C[C@]2(C)C1 ZINC001364499888 954694201 /nfs/dbraw/zinc/69/42/01/954694201.db2.gz DHTGGHDYXLPVEN-NCOADZHNSA-N 2 0 294.439 1.598 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)C[NH+](C)C)C1 ZINC001297527563 955037698 /nfs/dbraw/zinc/03/76/98/955037698.db2.gz CVFKCYSQBNIWQZ-STQMWFEESA-N 2 0 255.406 1.173 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCC(C)(C)C ZINC001491674848 955385164 /nfs/dbraw/zinc/38/51/64/955385164.db2.gz XDHOXFIKCODRHB-OLZOCXBDSA-N 2 0 269.433 1.469 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001491801241 955441537 /nfs/dbraw/zinc/44/15/37/955441537.db2.gz YUZRCWLVJGFFLC-HOTGVXAUSA-N 2 0 295.471 1.953 10 0 CDAERP CN(CC[NH2+]CC1CCCCC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001493762187 972110882 /nfs/dbraw/zinc/11/08/82/972110882.db2.gz RXMBVIJIGUUZMS-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N(C)CCC[NH+](C)CC2CC2)CC[N@@H+]1C ZINC001421868019 955613611 /nfs/dbraw/zinc/61/36/11/955613611.db2.gz OTTUDURQUKMDME-HOCLYGCPSA-N 2 0 295.471 1.907 10 0 CDAERP Cc1cc(C[NH2+][C@H](C)[C@H](C)NC(=O)C[NH+]2CCCC2)on1 ZINC001422421506 955991731 /nfs/dbraw/zinc/99/17/31/955991731.db2.gz FGXMOHWDFMSCBU-OLZOCXBDSA-N 2 0 294.399 1.062 10 0 CDAERP CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001316682444 955995699 /nfs/dbraw/zinc/99/56/99/955995699.db2.gz BCIAGHOAFWLGRM-HUUCEWRRSA-N 2 0 281.444 1.709 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H](C)[N@H+](C)C(C)C ZINC001422530173 956121747 /nfs/dbraw/zinc/12/17/47/956121747.db2.gz ZTZZBPBIAPGZFP-OLZOCXBDSA-N 2 0 275.412 1.511 10 0 CDAERP CCC[NH+]1CC([C@@H](C)NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001422757135 956311469 /nfs/dbraw/zinc/31/14/69/956311469.db2.gz ZJIDBVGMLXQNKM-HIFRSBDPSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H](F)CC[NH+]1CC([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001422761184 956315467 /nfs/dbraw/zinc/31/54/67/956315467.db2.gz MZYOTWADVUQRSJ-OLZOCXBDSA-N 2 0 285.407 1.267 10 0 CDAERP Cc1cncn1CC(=O)N[C@H](C)C[N@@H+](C)CCOC(C)C ZINC001422850937 956405233 /nfs/dbraw/zinc/40/52/33/956405233.db2.gz ZDXZJBBFINMHHH-CYBMUJFWSA-N 2 0 296.415 1.053 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001365896036 956429256 /nfs/dbraw/zinc/42/92/56/956429256.db2.gz QSXPILJTEHAFFV-KGLIPLIRSA-N 2 0 281.444 1.563 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001423110771 956594337 /nfs/dbraw/zinc/59/43/37/956594337.db2.gz JUWBDQPFKYBHKK-GXTWGEPZSA-N 2 0 285.407 1.409 10 0 CDAERP C[C@H](CN(C)C(=O)CCC[NH+](C)C)[NH2+]Cc1cncs1 ZINC001423116064 956601038 /nfs/dbraw/zinc/60/10/38/956601038.db2.gz ZUBSAAHBOZQDNC-GFCCVEGCSA-N 2 0 298.456 1.421 10 0 CDAERP CC[NH2+]CCC[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001330933172 956712309 /nfs/dbraw/zinc/71/23/09/956712309.db2.gz RDZMUMKBMRMXQW-CYBMUJFWSA-N 2 0 269.433 1.613 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]C/C=C/Cl)CC[N@@H+]1C ZINC001366288792 956714653 /nfs/dbraw/zinc/71/46/53/956714653.db2.gz LTSGLARCAMVOEO-SYNNMOHWSA-N 2 0 287.835 1.564 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001366301422 956723504 /nfs/dbraw/zinc/72/35/04/956723504.db2.gz LECPBRJPKHFUDB-GJZGRUSLSA-N 2 0 283.460 1.857 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)CC)C1 ZINC001423586714 956879212 /nfs/dbraw/zinc/87/92/12/956879212.db2.gz NMURNCMOIYJFBR-DZGCQCFKSA-N 2 0 287.423 1.657 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001423627093 956909430 /nfs/dbraw/zinc/90/94/30/956909430.db2.gz JLYLXCGBBHAFPY-GOEBONIOSA-N 2 0 283.460 1.812 10 0 CDAERP COc1cc(C[NH2+]CCOCCC[NH3+])ccc1F ZINC001329223107 956957487 /nfs/dbraw/zinc/95/74/87/956957487.db2.gz QAJAOQRPPQYTIB-UHFFFAOYSA-N 2 0 256.321 1.289 10 0 CDAERP CC(C)[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@H+](C)C(C)C ZINC001331358184 956991038 /nfs/dbraw/zinc/99/10/38/956991038.db2.gz ASDCNZBFMTZMCX-CQSZACIVSA-N 2 0 269.433 1.562 10 0 CDAERP CC(C)C[N@H+]1C[C@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@H]2C1 ZINC001423997586 957070349 /nfs/dbraw/zinc/07/03/49/957070349.db2.gz OBNFFHHOIJWQSP-GASCZTMLSA-N 2 0 281.444 1.373 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001366697331 957123726 /nfs/dbraw/zinc/12/37/26/957123726.db2.gz BCIBDYKAYUPHLS-ZIAGYGMSSA-N 2 0 299.434 1.657 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CC[NH+](CCC3CC3)C2)C1 ZINC001366703851 957127100 /nfs/dbraw/zinc/12/71/00/957127100.db2.gz HMNVNVJWQWRBTH-HOTGVXAUSA-N 2 0 293.455 1.566 10 0 CDAERP CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]C[C@@H](C)OC)[NH+](C)C ZINC001424137519 957132562 /nfs/dbraw/zinc/13/25/62/957132562.db2.gz UWEREFHNGVZZAP-RBSFLKMASA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001331559422 957138423 /nfs/dbraw/zinc/13/84/23/957138423.db2.gz FJBXDKXLRBDNBF-CABCVRRESA-N 2 0 281.444 1.731 10 0 CDAERP C[N@H+](CCCF)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001366864904 957234731 /nfs/dbraw/zinc/23/47/31/957234731.db2.gz IVELIFVYKKFWHV-CABCVRRESA-N 2 0 299.434 1.611 10 0 CDAERP C[C@H](F)CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001424496799 957252774 /nfs/dbraw/zinc/25/27/74/957252774.db2.gz DPQFGPDQZPBPMW-UONOGXRCSA-N 2 0 299.434 1.657 10 0 CDAERP CC/C=C/CC[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001317242487 957373421 /nfs/dbraw/zinc/37/34/21/957373421.db2.gz QVEBJYUTEFNNKI-ZQXYTJGRSA-N 2 0 281.444 1.777 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CC1=CCCCC1 ZINC001317265077 957389191 /nfs/dbraw/zinc/38/91/91/957389191.db2.gz LGTGMMQDKPZJOM-ZDUSSCGKSA-N 2 0 267.417 1.533 10 0 CDAERP CC[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001332110083 957437701 /nfs/dbraw/zinc/43/77/01/957437701.db2.gz IGBBXLSWHGHFMY-OCCSQVGLSA-N 2 0 253.390 1.071 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1C[N@H+](CC)CC1(C)C ZINC001425284724 957505831 /nfs/dbraw/zinc/50/58/31/957505831.db2.gz KJUCGMYUJGTKSW-STQMWFEESA-N 2 0 287.423 1.513 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N(C)CC[NH2+]C/C=C/Cl)CC[N@@H+]1C ZINC001317623225 957604157 /nfs/dbraw/zinc/60/41/57/957604157.db2.gz SFEMSYRDXMQOBJ-VFQZCJPISA-N 2 0 287.835 1.517 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC2CCC2)C(C)(C)C1 ZINC001425959886 957649725 /nfs/dbraw/zinc/64/97/25/957649725.db2.gz FGIKXNWVUNIXGR-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP CCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H]1CC[N@H+](CC)C1 ZINC001317761760 957655744 /nfs/dbraw/zinc/65/57/44/957655744.db2.gz OZRWWPALPORGKY-UONOGXRCSA-N 2 0 269.433 1.659 10 0 CDAERP CC(C)N(CC[N@H+](C)C(C)C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001426206938 957839482 /nfs/dbraw/zinc/83/94/82/957839482.db2.gz MZQQOGNIDAUARC-OAHLLOKOSA-N 2 0 283.460 1.905 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C[NH2+]CCF)C(C)(C)C)[NH+](C)C ZINC001332881800 957914275 /nfs/dbraw/zinc/91/42/75/957914275.db2.gz NCANJVAUNOXIQR-NEPJUHHUSA-N 2 0 275.412 1.417 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C[NH2+]CCF)C(C)(C)C)[NH+](C)C ZINC001332881801 957914882 /nfs/dbraw/zinc/91/48/82/957914882.db2.gz NCANJVAUNOXIQR-NWDGAFQWSA-N 2 0 275.412 1.417 10 0 CDAERP C[C@@H](C[NH2+]CC1CCCC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001367359897 957967950 /nfs/dbraw/zinc/96/79/50/957967950.db2.gz PHNPFHUATNXOBO-DZGCQCFKSA-N 2 0 281.444 1.707 10 0 CDAERP CN(CC[N@H+](C)CCC(C)(C)C)C(=O)C[NH+]1CCCC1 ZINC001367554450 958129975 /nfs/dbraw/zinc/12/99/75/958129975.db2.gz UHGYNYOCIBWJNK-UHFFFAOYSA-N 2 0 283.460 1.909 10 0 CDAERP CCN(CC[NH2+]C(C)C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001367642654 958165104 /nfs/dbraw/zinc/16/51/04/958165104.db2.gz HOMQHKBMXGIURY-LSDHHAIUSA-N 2 0 281.444 1.850 10 0 CDAERP CC[NH2+]CCOCCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001333259259 958192705 /nfs/dbraw/zinc/19/27/05/958192705.db2.gz MLKYDMFTEJKRQN-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CC(C)C ZINC001367801865 958375909 /nfs/dbraw/zinc/37/59/09/958375909.db2.gz HKZZXSKPGXKSNW-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H](C[N@H+](C)CC1CCCC1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001367858045 958438392 /nfs/dbraw/zinc/43/83/92/958438392.db2.gz RLCDRBASUQFAME-ZFWWWQNUSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@H](CNC(=O)C1CC[NH+](C)CC1)C[NH2+]C/C=C\Cl ZINC001319237946 958451482 /nfs/dbraw/zinc/45/14/82/958451482.db2.gz LHZXVQHWEZAALY-RYBZSIHZSA-N 2 0 287.835 1.423 10 0 CDAERP CC(C)C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001367893883 958459312 /nfs/dbraw/zinc/45/93/12/958459312.db2.gz FLJSCZMCPRKMIC-HZPDHXFCSA-N 2 0 295.471 2.000 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@@H](C)CNC(=O)Cc1ncc[nH]1 ZINC001319256007 958460223 /nfs/dbraw/zinc/46/02/23/958460223.db2.gz BTXJOEUVRUTHGV-NWDGAFQWSA-N 2 0 266.389 1.340 10 0 CDAERP CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(C[NH+](C)C)CC1 ZINC001368393105 958808017 /nfs/dbraw/zinc/80/80/17/958808017.db2.gz HMDRKZJZDZCOQU-LSDHHAIUSA-N 2 0 293.455 1.804 10 0 CDAERP CC(C)[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001368418868 958827304 /nfs/dbraw/zinc/82/73/04/958827304.db2.gz OYYCRFGWLZMILW-SHTZXODSSA-N 2 0 283.460 2.000 10 0 CDAERP CC(C)(C(=O)N[C@@H]1CCC[C@H]1C[NH2+]CCF)[NH+]1CCCC1 ZINC001320155145 958974074 /nfs/dbraw/zinc/97/40/74/958974074.db2.gz QGASYJOLKSGUCL-UONOGXRCSA-N 2 0 299.434 1.705 10 0 CDAERP CC[C@@H](C(=O)N1CCC(C)([NH2+]CCF)CC1)[NH+](C)C ZINC001368653851 959015196 /nfs/dbraw/zinc/01/51/96/959015196.db2.gz JYBIAFLXUCBQLZ-LBPRGKRZSA-N 2 0 273.396 1.267 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC1CC1 ZINC001368754304 959107861 /nfs/dbraw/zinc/10/78/61/959107861.db2.gz KWTOCAPDWQLENV-ZFWWWQNUSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@@H](C)C[NH2+]CCN(CC)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001320892068 959443469 /nfs/dbraw/zinc/44/34/69/959443469.db2.gz YKVPSIJZYNHMHU-CABCVRRESA-N 2 0 283.460 1.812 10 0 CDAERP CCN(CC[NH2+]CC1CC1)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001320927672 959462603 /nfs/dbraw/zinc/46/26/03/959462603.db2.gz AVMBKNHNUGLGGD-KBPBESRZSA-N 2 0 281.444 1.707 10 0 CDAERP CCC[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001321067665 959572457 /nfs/dbraw/zinc/57/24/57/959572457.db2.gz XDZNENPTXOZVCX-HYLRALAJSA-N 2 0 267.417 1.389 10 0 CDAERP CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]C(C)C ZINC001569340506 1169772580 /nfs/dbraw/zinc/77/25/80/1169772580.db2.gz NKOCPWRSQZXSPJ-UONOGXRCSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]CCC1CC1)[NH+](C)C ZINC001321713451 959916343 /nfs/dbraw/zinc/91/63/43/959916343.db2.gz PCNIZEDAVIQFKP-OCCSQVGLSA-N 2 0 269.433 1.467 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001323319936 960643791 /nfs/dbraw/zinc/64/37/91/960643791.db2.gz UFYWTHHUSZJQOR-WCQYABFASA-N 2 0 264.373 1.187 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001418585700 960760343 /nfs/dbraw/zinc/76/03/43/960760343.db2.gz AMYZBTIDJGRREM-LSDHHAIUSA-N 2 0 281.444 1.517 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccsc1 ZINC001418633053 960829214 /nfs/dbraw/zinc/82/92/14/960829214.db2.gz VFVCFVZTFVBZGC-CQSZACIVSA-N 2 0 295.452 1.780 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C)CC2(C)C)CC1 ZINC001434379424 961243705 /nfs/dbraw/zinc/24/37/05/961243705.db2.gz BUUWFSORBQQJMU-CQSZACIVSA-N 2 0 281.444 1.563 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CC(C)(C)C1 ZINC001419054379 961307002 /nfs/dbraw/zinc/30/70/02/961307002.db2.gz MFANMNKDHVKDPY-GJZGRUSLSA-N 2 0 293.455 1.659 10 0 CDAERP C[C@@H](CN1CCOCC1)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC001434457998 961436509 /nfs/dbraw/zinc/43/65/09/961436509.db2.gz CGIZKCWFDAALFB-IAGOWNOFSA-N 2 0 297.487 1.761 10 0 CDAERP CC[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]C/C=C/Cl ZINC001419236586 961537937 /nfs/dbraw/zinc/53/79/37/961537937.db2.gz BGCXBPMTOBQUBA-DRKGASSASA-N 2 0 287.835 1.565 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]CCC(C)(C)C)C2)C1 ZINC001419972998 962317237 /nfs/dbraw/zinc/31/72/37/962317237.db2.gz UXQQMFVMCVKAQC-KBPBESRZSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001436958047 962525478 /nfs/dbraw/zinc/52/54/78/962525478.db2.gz FZPRLMCQJJDUPS-XQLPTFJDSA-N 2 0 281.444 1.754 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001436954896 962526059 /nfs/dbraw/zinc/52/60/59/962526059.db2.gz QIUVOOGXPHTAEZ-BYNSBNAKSA-N 2 0 299.434 1.846 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001436963644 962530611 /nfs/dbraw/zinc/53/06/11/962530611.db2.gz IZVNXSFKQXVTRP-GASCZTMLSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@H](F)CC[NH2+][C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001437196454 962722342 /nfs/dbraw/zinc/72/23/42/962722342.db2.gz HRRJMXPXTMRNRA-RYUDHWBXSA-N 2 0 273.396 1.171 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001437383058 962853686 /nfs/dbraw/zinc/85/36/86/962853686.db2.gz QMICDQSFDZAREL-CHWSQXEVSA-N 2 0 287.423 1.703 10 0 CDAERP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)CC1CC1 ZINC001420573498 963083429 /nfs/dbraw/zinc/08/34/29/963083429.db2.gz VWKQUKVFBNDXRZ-UKRRQHHQSA-N 2 0 281.444 1.706 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCC[NH+]2CCC2CC2)C1 ZINC001437681439 963120319 /nfs/dbraw/zinc/12/03/19/963120319.db2.gz STEZTLWMVLSLJO-GDBMZVCRSA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)CC[N@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C(C)C ZINC001420677667 963175692 /nfs/dbraw/zinc/17/56/92/963175692.db2.gz PWUSPKIKTDLGDP-CQSZACIVSA-N 2 0 271.449 1.809 10 0 CDAERP C[C@@H](F)CC[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001420960299 963384679 /nfs/dbraw/zinc/38/46/79/963384679.db2.gz QQUZNDULKYNSKY-GFCCVEGCSA-N 2 0 285.407 1.457 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1CC[C@H]([NH2+]CCF)CC1 ZINC001438440720 963447854 /nfs/dbraw/zinc/44/78/54/963447854.db2.gz SLDYEQRQRLXFNE-RBSFLKMASA-N 2 0 299.434 1.847 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001438548219 963479975 /nfs/dbraw/zinc/47/99/75/963479975.db2.gz CKOVRDBOFXZAJM-STQMWFEESA-N 2 0 273.396 1.172 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]C[C@@H]1CCCCO1 ZINC001438716836 963532993 /nfs/dbraw/zinc/53/29/93/963532993.db2.gz UMTSGFZOQOHLBV-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCC2CC2)[C@H](C)C1 ZINC001438782480 963548263 /nfs/dbraw/zinc/54/82/63/963548263.db2.gz ZVKFBVDDMSXUJF-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP CC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C(C)C ZINC001438832413 963564871 /nfs/dbraw/zinc/56/48/71/963564871.db2.gz UCKURFLSMSUKMJ-HUUCEWRRSA-N 2 0 283.460 2.000 10 0 CDAERP C[C@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)CCC[NH+](C)C ZINC001439143233 963654262 /nfs/dbraw/zinc/65/42/62/963654262.db2.gz LGFQLGQIOCGTOU-CYBMUJFWSA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)OCC[N@H+](C)C[C@H](C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001439403066 963752235 /nfs/dbraw/zinc/75/22/35/963752235.db2.gz RZVVRFIGCYKBKC-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP CC1CC(C[NH2+]C[C@@H](NC(=O)C[NH+]2CCCC2)C2CC2)C1 ZINC001439492194 963773932 /nfs/dbraw/zinc/77/39/32/963773932.db2.gz IMOLTVZPNQQINU-ZBCRRDGASA-N 2 0 293.455 1.613 10 0 CDAERP CCCC[NH+]1CC(N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001439723698 963847335 /nfs/dbraw/zinc/84/73/35/963847335.db2.gz BAKFRFBLVRAFNJ-CQSZACIVSA-N 2 0 281.444 1.804 10 0 CDAERP CCC[N@H+](C)CCCN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001440489173 964078518 /nfs/dbraw/zinc/07/85/18/964078518.db2.gz RAEVAKOAFQZYEG-UHFFFAOYSA-N 2 0 299.459 1.288 10 0 CDAERP Cc1oncc1C[NH2+][C@H](C)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001440849529 964209446 /nfs/dbraw/zinc/20/94/46/964209446.db2.gz CGRKPWPEWJZDHE-NEPJUHHUSA-N 2 0 294.399 1.062 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001479778823 964266035 /nfs/dbraw/zinc/26/60/35/964266035.db2.gz YIDVGTLDPJKQKY-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP CCCC[N@H+](C)[C@@H](C)CNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001440998474 964319873 /nfs/dbraw/zinc/31/98/73/964319873.db2.gz WGYSFCZUEIHUBO-HOCLYGCPSA-N 2 0 281.444 1.709 10 0 CDAERP CC[NH2+]CC1(NC(=O)C[N@@H+]2CC[C@H](C)C2)CCCCC1 ZINC001441102475 964361393 /nfs/dbraw/zinc/36/13/93/964361393.db2.gz KNMZZTLQIIBPOZ-AWEZNQCLSA-N 2 0 281.444 1.757 10 0 CDAERP C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1C[NH+](CCC2CC2)C1 ZINC001441202145 964417660 /nfs/dbraw/zinc/41/76/60/964417660.db2.gz HKZMBHOWMZSPKQ-UKRRQHHQSA-N 2 0 293.455 1.565 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[NH+](C[C@@H](C)OC)CC1(C)C ZINC001441254066 964437045 /nfs/dbraw/zinc/43/70/45/964437045.db2.gz CZTIJYNRTLGCTD-KGLIPLIRSA-N 2 0 299.459 1.190 10 0 CDAERP CN(C(=O)[C@H]1CCCC[N@@H+]1C)[C@@H](C[NH2+]CC1CC1)C1CC1 ZINC001441445105 964515921 /nfs/dbraw/zinc/51/59/21/964515921.db2.gz WNWCWQSCNJQLOM-CVEARBPZSA-N 2 0 293.455 1.707 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001441503154 964555414 /nfs/dbraw/zinc/55/54/14/964555414.db2.gz PDBFTODTYKOLEE-FVCCEPFGSA-N 2 0 271.380 1.066 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001441503157 964556131 /nfs/dbraw/zinc/55/61/31/964556131.db2.gz PDBFTODTYKOLEE-WUHRBBMRSA-N 2 0 271.380 1.066 10 0 CDAERP C[NH2+]C1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC001345810311 964823474 /nfs/dbraw/zinc/82/34/74/964823474.db2.gz BRUFYCFCVXPMLA-UHFFFAOYSA-N 2 0 265.401 1.071 10 0 CDAERP CCCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001442073299 964856224 /nfs/dbraw/zinc/85/62/24/964856224.db2.gz XNHVTZUDVUAMQK-HUUCEWRRSA-N 2 0 299.459 1.022 10 0 CDAERP C[NH+](C)CCONC(=O)c1cccc(CC[NH+](C)C)c1 ZINC001557017903 965133185 /nfs/dbraw/zinc/13/31/85/965133185.db2.gz SXBUZDBHTWBEJM-UHFFFAOYSA-N 2 0 279.384 1.014 10 0 CDAERP CC[N@H+](CCNC(=O)CC[C@H]1CCC[NH+]1C)CC1CC1 ZINC001442675767 965172560 /nfs/dbraw/zinc/17/25/60/965172560.db2.gz OKFXULVLBWAOSJ-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H](F)CC[N@@H+]1CCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001442803301 965224933 /nfs/dbraw/zinc/22/49/33/965224933.db2.gz UNEZCQNFYINNCD-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1CC[C@H]1CCCO1 ZINC001442800070 965225760 /nfs/dbraw/zinc/22/57/60/965225760.db2.gz KZLQXUNRLXPMRK-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001442897189 965266796 /nfs/dbraw/zinc/26/67/96/965266796.db2.gz WRHZVQXERZQWFM-STQMWFEESA-N 2 0 273.396 1.124 10 0 CDAERP C[C@H](F)CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001443070733 965342428 /nfs/dbraw/zinc/34/24/28/965342428.db2.gz KCPLFZOBCZVOPR-STQMWFEESA-N 2 0 285.407 1.267 10 0 CDAERP COC[C@@H](C)[N@@H+]1CC[C@@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001443276114 965423016 /nfs/dbraw/zinc/42/30/16/965423016.db2.gz WGZRZYSZJQVYEH-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP C[N@H+](CCF)CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001443369234 965454383 /nfs/dbraw/zinc/45/43/83/965454383.db2.gz IGNFLDSLOBQJCI-UHFFFAOYSA-N 2 0 297.418 1.222 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+](C(C)C)C1)C(C)C ZINC001443444609 965470492 /nfs/dbraw/zinc/47/04/92/965470492.db2.gz LGYTWYXUZUWXJR-OAHLLOKOSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+]CC1CCCCC1 ZINC001444392337 965819661 /nfs/dbraw/zinc/81/96/61/965819661.db2.gz WZHPUCXQWKJSTN-AWEZNQCLSA-N 2 0 283.460 1.860 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1ocnc1C)[NH+](C)C ZINC001444407092 965821609 /nfs/dbraw/zinc/82/16/09/965821609.db2.gz QLDLQPJJMRLTRD-DGCLKSJQSA-N 2 0 296.415 1.165 10 0 CDAERP CC[C@@H](C)C[N@H+](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001445821755 966350665 /nfs/dbraw/zinc/35/06/65/966350665.db2.gz VPJBFQWYDNHUMR-KGLIPLIRSA-N 2 0 283.460 1.811 10 0 CDAERP CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001446535493 966574533 /nfs/dbraw/zinc/57/45/33/966574533.db2.gz JUBVJDZJKZDYAD-UKRRQHHQSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]CCC2CC2)C1 ZINC001446949867 966667605 /nfs/dbraw/zinc/66/76/05/966667605.db2.gz UCOUHOOVLKDLIL-GOEBONIOSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@@H](C)[NH2+]CC1CCCC1 ZINC001447929344 966932012 /nfs/dbraw/zinc/93/20/12/966932012.db2.gz LWFMNXPQXXARGU-ZIAGYGMSSA-N 2 0 293.455 1.755 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CCCF ZINC001448032913 966971023 /nfs/dbraw/zinc/97/10/23/966971023.db2.gz JMZPBYYPPXSJCS-KBPBESRZSA-N 2 0 287.423 1.655 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CCC2CC2)CN1C(=O)CCC[NH+](C)C ZINC001449035136 967343212 /nfs/dbraw/zinc/34/32/12/967343212.db2.gz UWLLPTIUVVSGIX-UKRRQHHQSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC001455420544 968706017 /nfs/dbraw/zinc/70/60/17/968706017.db2.gz UAEODZSANIFWNM-MCIONIFRSA-N 2 0 267.417 1.269 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(C(=O)[C@H](C)CC[NH+](C)C)C1 ZINC001465565987 969883466 /nfs/dbraw/zinc/88/34/66/969883466.db2.gz HFBOYUNCRQNBJP-KGLIPLIRSA-N 2 0 269.433 1.517 10 0 CDAERP CC[N@@H+]1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C[C@H]1C ZINC001466103320 969923851 /nfs/dbraw/zinc/92/38/51/969923851.db2.gz JWJYQRCNULPRAC-RBSFLKMASA-N 2 0 281.444 1.659 10 0 CDAERP CCN(C(=O)[C@@H](C)CC[NH+](C)C)[C@H]1CC[N@H+](C)C1 ZINC001470060299 970288239 /nfs/dbraw/zinc/28/82/39/970288239.db2.gz PAVBYUSUJPNYAQ-STQMWFEESA-N 2 0 255.406 1.127 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC001471532908 970433065 /nfs/dbraw/zinc/43/30/65/970433065.db2.gz ZGDLNHMJBIJGET-ILXRZTDVSA-N 2 0 296.459 1.308 10 0 CDAERP CC(C)[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001361773682 970515173 /nfs/dbraw/zinc/51/51/73/970515173.db2.gz JGQWFRILLXVTOW-OAHLLOKOSA-N 2 0 281.444 1.659 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH2+]CCC1CC1 ZINC001495652683 972577185 /nfs/dbraw/zinc/57/71/85/972577185.db2.gz CTXQWLORBDFQFR-OCCSQVGLSA-N 2 0 267.417 1.223 10 0 CDAERP CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001495670755 972588349 /nfs/dbraw/zinc/58/83/49/972588349.db2.gz XDMYNODJFNUUAO-FRRDWIJNSA-N 2 0 255.406 1.079 10 0 CDAERP CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001496085488 972790742 /nfs/dbraw/zinc/79/07/42/972790742.db2.gz YLMFDPFAJKSKDQ-OLZOCXBDSA-N 2 0 257.422 1.419 10 0 CDAERP C[C@@H](C[NH2+]CCF)N(C)C(=O)CCC[NH+]1CCCCC1 ZINC001496232486 972848691 /nfs/dbraw/zinc/84/86/91/972848691.db2.gz IYJHBRIRIUPRSR-AWEZNQCLSA-N 2 0 287.423 1.659 10 0 CDAERP CCC(CC)C[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001372669726 973074150 /nfs/dbraw/zinc/07/41/50/973074150.db2.gz JFUCCXVSPUKNCL-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP CCC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)CC1CCC1 ZINC001372744213 973107089 /nfs/dbraw/zinc/10/70/89/973107089.db2.gz ZHUBONUFEVSYCG-UHFFFAOYSA-N 2 0 293.455 1.711 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+](C(C)C)C2)C1 ZINC001417619869 973204407 /nfs/dbraw/zinc/20/44/07/973204407.db2.gz INLJYYBINFDCGA-CVEARBPZSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@@H](CC[NH2+]CCCF)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001497252015 973263501 /nfs/dbraw/zinc/26/35/01/973263501.db2.gz IZWOVMOWPYPURG-STQMWFEESA-N 2 0 273.396 1.315 10 0 CDAERP C[C@H](CC[NH2+]CC1CC1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001497298563 973279567 /nfs/dbraw/zinc/27/95/67/973279567.db2.gz PJQYIZFGJJTINX-CQSZACIVSA-N 2 0 281.444 1.613 10 0 CDAERP CCN(CC[NH2+]CC=C(C)C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001497446996 973353697 /nfs/dbraw/zinc/35/36/97/973353697.db2.gz DNACUTDHHUBYDX-OAHLLOKOSA-N 2 0 283.460 1.977 10 0 CDAERP CC[C@@H](C)C[NH2+][C@@H]1C[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001417792048 973386870 /nfs/dbraw/zinc/38/68/70/973386870.db2.gz OYJMMUJCSXWDFL-TUVASFSCSA-N 2 0 283.460 1.857 10 0 CDAERP CC(C)CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001497546256 973398814 /nfs/dbraw/zinc/39/88/14/973398814.db2.gz CYYWLSUETIXJHO-XVWMLYKFSA-N 2 0 281.444 1.779 10 0 CDAERP O=C(NC/C=C/C[NH2+]CCF)C12CCC[NH+](CCC1)C2 ZINC001497609100 973431363 /nfs/dbraw/zinc/43/13/63/973431363.db2.gz BHDPUKALSBJLKV-OWOJBTEDSA-N 2 0 283.391 1.094 10 0 CDAERP CC[C@@H](C)C[NH2+]C/C=C/CNC(=O)C1CC[NH+](C)CC1 ZINC001497676036 973461434 /nfs/dbraw/zinc/46/14/34/973461434.db2.gz WANDLXFMWDWUSH-VBROQKIQSA-N 2 0 281.444 1.636 10 0 CDAERP COCC[N@@H+]1CCC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001417907953 973468433 /nfs/dbraw/zinc/46/84/33/973468433.db2.gz IATZYKQKFAYGHV-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](F)C[NH+](CC)CC ZINC001373567075 973493374 /nfs/dbraw/zinc/49/33/74/973493374.db2.gz DERWVOMMWAOFHY-IHRRRGAJSA-N 2 0 285.407 1.361 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)[C@H]1CC[NH+](CC[C@@H](C)F)C1 ZINC001373682618 973567003 /nfs/dbraw/zinc/56/70/03/973567003.db2.gz ANKHWHIEEOVLHH-KGLIPLIRSA-N 2 0 287.423 1.609 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nccs2)C1)[NH+](C)C ZINC001418107767 973588330 /nfs/dbraw/zinc/58/83/30/973588330.db2.gz DJBKLEKPQRBLBE-GRYCIOLGSA-N 2 0 296.440 1.220 10 0 CDAERP CCCC[N@@H+]1CCC[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001418129756 973603307 /nfs/dbraw/zinc/60/33/07/973603307.db2.gz RHSOPHZODJPEDZ-CVEARBPZSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)C[NH2+]C[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001498042779 973644563 /nfs/dbraw/zinc/64/45/63/973644563.db2.gz ACFCDVUZLIOXGW-JSGCOSHPSA-N 2 0 267.417 1.079 10 0 CDAERP C[C@H](C[NH2+]CC1CCCC1)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001374283274 973875161 /nfs/dbraw/zinc/87/51/61/973875161.db2.gz RNBUZHJMUBQTQE-LSDHHAIUSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H]([NH2+]CC2CC2)C(C)C)CC[N@@H+]1C ZINC001374418493 973933640 /nfs/dbraw/zinc/93/36/40/973933640.db2.gz GQPSOUQNTSTQFE-ARFHVFGLSA-N 2 0 295.471 1.857 10 0 CDAERP CCC[NH2+]CCCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001498643960 974009500 /nfs/dbraw/zinc/00/95/00/974009500.db2.gz OQIWPQJJGUCMLC-CYBMUJFWSA-N 2 0 257.422 1.421 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]CCC(C)(C)C)CC2)C1 ZINC001499448790 974256930 /nfs/dbraw/zinc/25/69/30/974256930.db2.gz RYELILFCDZNUEK-ZDUSSCGKSA-N 2 0 281.444 1.613 10 0 CDAERP COCC[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@@H](C)C1 ZINC001499854586 974314035 /nfs/dbraw/zinc/31/40/35/974314035.db2.gz SXMYWNRULZGQHU-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]C/C=C/Cl)[NH+](C)C ZINC001499926256 974336126 /nfs/dbraw/zinc/33/61/26/974336126.db2.gz GJMUQNMEBZFGFG-KELULYIISA-N 2 0 287.835 1.660 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001375376000 974357049 /nfs/dbraw/zinc/35/70/49/974357049.db2.gz PUSGVOQYSLTLTM-JKSUJKDBSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)(C(=O)NCC1([NH2+]CC2CC2)CC1)[NH+]1CCCC1 ZINC001375451086 974384118 /nfs/dbraw/zinc/38/41/18/974384118.db2.gz IZOJDFRRUSHTDV-UHFFFAOYSA-N 2 0 279.428 1.509 10 0 CDAERP CC[C@@H](C[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)C(C)C)OC ZINC001375471537 974395561 /nfs/dbraw/zinc/39/55/61/974395561.db2.gz LGDUONODVNISDW-GJZGRUSLSA-N 2 0 299.459 1.284 10 0 CDAERP CC(C)[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001500383832 974429900 /nfs/dbraw/zinc/42/99/00/974429900.db2.gz HAVIYNFIAGYHAZ-CZUORRHYSA-N 2 0 292.427 1.825 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1CC[N@H+](CC)CC(C)(C)C1)[NH+](C)C ZINC001375690228 974456640 /nfs/dbraw/zinc/45/66/40/974456640.db2.gz STUUTPICJGGVJO-ZIAGYGMSSA-N 2 0 283.460 1.953 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001376287978 974623430 /nfs/dbraw/zinc/62/34/30/974623430.db2.gz ALEIRKKUUNHBDN-JKSUJKDBSA-N 2 0 295.471 1.909 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001376367846 974644601 /nfs/dbraw/zinc/64/46/01/974644601.db2.gz CVAAUDYWFSLOCD-DHGKCCLASA-N 2 0 285.407 1.312 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H]2C[N@H+](CCC3CC3)C[C@H]21 ZINC001376531299 974681697 /nfs/dbraw/zinc/68/16/97/974681697.db2.gz ONVWRAGLRGOQQR-JKSUJKDBSA-N 2 0 293.455 1.661 10 0 CDAERP CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)CCO1 ZINC001502077630 974688355 /nfs/dbraw/zinc/68/83/55/974688355.db2.gz ZIBKVEACLKJPGA-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP Cc1cnc(C[NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)C2)s1 ZINC001376913562 974816590 /nfs/dbraw/zinc/81/65/90/974816590.db2.gz AZFJVHVOPXCRAO-LBPRGKRZSA-N 2 0 296.440 1.094 10 0 CDAERP CCC1([NH2+]CCF)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001377122857 974893794 /nfs/dbraw/zinc/89/37/94/974893794.db2.gz HSVWZOJDZQATQT-UHFFFAOYSA-N 2 0 285.407 1.413 10 0 CDAERP CC[C@@H](C(=O)NC1CC(C[NH2+]CC(C)C)C1)[NH+](C)C ZINC001505520523 974900018 /nfs/dbraw/zinc/90/00/18/974900018.db2.gz ZPRIKVIAEZQQIZ-RUXDESIVSA-N 2 0 269.433 1.467 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1CCC(C)(C)C ZINC001377411678 975014603 /nfs/dbraw/zinc/01/46/03/975014603.db2.gz MDYPWAOWZGUIHT-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC(C)C)C1)[NH+](CC)CC ZINC001378073246 975231508 /nfs/dbraw/zinc/23/15/08/975231508.db2.gz OHWBBOKLRLEDHO-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001506883523 975246018 /nfs/dbraw/zinc/24/60/18/975246018.db2.gz MNRISFQUCNSEIH-KJWHEZOQSA-N 2 0 299.434 1.559 10 0 CDAERP CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001378140190 975257753 /nfs/dbraw/zinc/25/77/53/975257753.db2.gz AYIQKYBCPODGNC-KGLIPLIRSA-N 2 0 287.423 1.609 10 0 CDAERP C[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[N@H+](C)CCCO ZINC001378151125 975260594 /nfs/dbraw/zinc/26/05/94/975260594.db2.gz HWCIQUSJDILYFV-CABCVRRESA-N 2 0 299.459 1.070 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)CCC(F)(F)F)[NH+](C)C ZINC001378194822 975281763 /nfs/dbraw/zinc/28/17/63/975281763.db2.gz YAGURRCYEOTFKT-GHMZBOCLSA-N 2 0 297.365 1.716 10 0 CDAERP Cc1cc(C[NH2+][C@H](C)CN(C)C(=O)CC[NH+](C)C)sn1 ZINC001507119791 975345019 /nfs/dbraw/zinc/34/50/19/975345019.db2.gz VJCCXBVKXCAKAD-GFCCVEGCSA-N 2 0 298.456 1.340 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]CC[C@@H]1CCOC1 ZINC001507163740 975358762 /nfs/dbraw/zinc/35/87/62/975358762.db2.gz VQDCOQHRJCRALK-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001378721859 975456630 /nfs/dbraw/zinc/45/66/30/975456630.db2.gz JZFMXFSRYJICIC-QKDCVEJESA-N 2 0 281.444 1.422 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCF)C2)C1 ZINC001397177268 975488507 /nfs/dbraw/zinc/48/85/07/975488507.db2.gz TVKFOOLMCSZKHX-MELADBBJSA-N 2 0 285.407 1.172 10 0 CDAERP CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001378877899 975524996 /nfs/dbraw/zinc/52/49/96/975524996.db2.gz PPAQXQALQPTXLY-QLFBSQMISA-N 2 0 283.460 1.857 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@@H](N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001405116189 975633428 /nfs/dbraw/zinc/63/34/28/975633428.db2.gz HMGNHIWQYVFGCS-ZIAGYGMSSA-N 2 0 299.434 1.752 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001379159677 975697786 /nfs/dbraw/zinc/69/77/86/975697786.db2.gz AJRMYRKUDKPBOO-LSDHHAIUSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CCC[C@H](C)O)[C@@H]1C ZINC001397793440 975720362 /nfs/dbraw/zinc/72/03/62/975720362.db2.gz XETLMBXQURDBMW-ZNMIVQPWSA-N 2 0 299.459 1.067 10 0 CDAERP CC(C)[NH2+][C@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001379323515 975765566 /nfs/dbraw/zinc/76/55/66/975765566.db2.gz CQZUKMAGCCPOKX-HUUCEWRRSA-N 2 0 283.460 1.952 10 0 CDAERP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001379350953 975791162 /nfs/dbraw/zinc/79/11/62/975791162.db2.gz YFXVJWLDTWABNO-ZBFHGGJFSA-N 2 0 289.423 1.684 10 0 CDAERP CC(C)[NH2+]C[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001405671484 975812699 /nfs/dbraw/zinc/81/26/99/975812699.db2.gz SDMOFSZXUJQBPF-AWEZNQCLSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@@H](C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)OC ZINC001379417608 975829835 /nfs/dbraw/zinc/82/98/35/975829835.db2.gz VCHQRMQOVPIJIA-QPSCCSFWSA-N 2 0 299.459 1.236 10 0 CDAERP C[C@H](C[N@H+](C)CC1CCCC1)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001401807403 975927990 /nfs/dbraw/zinc/92/79/90/975927990.db2.gz UMHJBCBREGZTGD-GDBMZVCRSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C ZINC001379572281 975932534 /nfs/dbraw/zinc/93/25/34/975932534.db2.gz QNWVGJYJBFLGGG-LSDHHAIUSA-N 2 0 281.444 1.707 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@]12CCC[C@H]1[N@H+](CCF)CC2 ZINC001379625593 975963272 /nfs/dbraw/zinc/96/32/72/975963272.db2.gz LSOQRQCQVYKITK-TZMCWYRMSA-N 2 0 271.380 1.021 10 0 CDAERP CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001401925855 976014566 /nfs/dbraw/zinc/01/45/66/976014566.db2.gz OIPYNOLMVJWICX-LSDHHAIUSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001379699867 976017452 /nfs/dbraw/zinc/01/74/52/976017452.db2.gz USGBLKPGKCDION-HUUCEWRRSA-N 2 0 281.444 1.613 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC[C@H](C)F)C1 ZINC001389974261 976071125 /nfs/dbraw/zinc/07/11/25/976071125.db2.gz GKZQBRSEORLGBF-BYNSBNAKSA-N 2 0 299.434 1.846 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]C[C@H](C)CC ZINC001402080099 976112965 /nfs/dbraw/zinc/11/29/65/976112965.db2.gz SKPBJUBPCCHGRG-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001398732650 976131931 /nfs/dbraw/zinc/13/19/31/976131931.db2.gz OAOPMNQBXPWVSX-HZPDHXFCSA-N 2 0 295.471 1.957 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001406394353 976162234 /nfs/dbraw/zinc/16/22/34/976162234.db2.gz QSCZUBYLSQMIDW-UPJWGTAASA-N 2 0 273.396 1.313 10 0 CDAERP C[C@@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001406452531 976195068 /nfs/dbraw/zinc/19/50/68/976195068.db2.gz FEEVEHROZMDIAB-GXTWGEPZSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001402290855 976219313 /nfs/dbraw/zinc/21/93/13/976219313.db2.gz ACCXYJGXPDWGMX-BMFZPTHFSA-N 2 0 295.471 1.857 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccns1 ZINC001398961421 976267303 /nfs/dbraw/zinc/26/73/03/976267303.db2.gz RPGUBHHLLUOSPA-DGCLKSJQSA-N 2 0 296.440 1.222 10 0 CDAERP C[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccsc1 ZINC001390649458 976414565 /nfs/dbraw/zinc/41/45/65/976414565.db2.gz VNUWCTUXJNGYRR-GXTWGEPZSA-N 2 0 295.452 1.827 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CCF ZINC001390726876 976458832 /nfs/dbraw/zinc/45/88/32/976458832.db2.gz GURIJACIONOGAF-OLZOCXBDSA-N 2 0 273.396 1.315 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC[C@H](C)[NH2+]C/C=C/Cl ZINC001390730081 976459548 /nfs/dbraw/zinc/45/95/48/976459548.db2.gz LBHXJSWDUYJCKK-PZBABLGHSA-N 2 0 275.824 1.564 10 0 CDAERP CC[C@@H](C(=O)N(C)C1C[NH+](CCC(C)(C)C)C1)[NH+](C)C ZINC001407089412 976548585 /nfs/dbraw/zinc/54/85/85/976548585.db2.gz NUDKUHLAGJNBOK-AWEZNQCLSA-N 2 0 283.460 1.905 10 0 CDAERP CC(C)CC[N@@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001380786926 976552245 /nfs/dbraw/zinc/55/22/45/976552245.db2.gz HDGLSZYNXKYZQN-JKSUJKDBSA-N 2 0 295.471 1.907 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+](C)C(C)C ZINC001407112700 976559070 /nfs/dbraw/zinc/55/90/70/976559070.db2.gz UFTNPDUJIBGSHV-KGLIPLIRSA-N 2 0 287.423 1.655 10 0 CDAERP CC[N@H+](C)CCC(=O)NCC[NH+](C)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001399612770 976600970 /nfs/dbraw/zinc/60/09/70/976600970.db2.gz KPIOUQJHPQYMKP-OWCLPIDISA-N 2 0 295.471 1.812 10 0 CDAERP CCCC[N@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001399755992 976669404 /nfs/dbraw/zinc/66/94/04/976669404.db2.gz QTYGSDNUELUZTN-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cc(C2CC2)no1 ZINC001403043776 976678290 /nfs/dbraw/zinc/67/82/90/976678290.db2.gz JGLFNBAJNDZGLW-NSHDSACASA-N 2 0 294.399 1.098 10 0 CDAERP C[C@@H](CCNC(=O)CC[NH+](C)C)[NH2+]CC1CC(F)(F)C1 ZINC001381210997 976719613 /nfs/dbraw/zinc/71/96/13/976719613.db2.gz LWJRFOQKDVOFAP-NSHDSACASA-N 2 0 291.386 1.468 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001399913173 976742391 /nfs/dbraw/zinc/74/23/91/976742391.db2.gz CTQLJEZZLABPRH-AWEZNQCLSA-N 2 0 281.444 1.707 10 0 CDAERP C[NH+](C)CCC(=O)NCC1([NH2+]Cc2ccccn2)CCC1 ZINC001407796793 976774652 /nfs/dbraw/zinc/77/46/52/976774652.db2.gz JIFZRDWPTMDPCS-UHFFFAOYSA-N 2 0 290.411 1.162 10 0 CDAERP CCC[N@H+](CCNC(=O)C[NH+]1CCCC1)CC1CCC1 ZINC001399977182 976782537 /nfs/dbraw/zinc/78/25/37/976782537.db2.gz KRKZDIMBZWGPTE-UHFFFAOYSA-N 2 0 281.444 1.711 10 0 CDAERP CC(C)C[NH2+]CC1(NC(=O)CCC[NH+](C)C)CCOCC1 ZINC001408055938 976876700 /nfs/dbraw/zinc/87/67/00/976876700.db2.gz YUXCHLUZGPAKIO-UHFFFAOYSA-N 2 0 299.459 1.239 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CC1CC(F)(F)C1 ZINC001381561504 976913614 /nfs/dbraw/zinc/91/36/14/976913614.db2.gz AUPJRKCVELUEND-LLVKDONJSA-N 2 0 291.386 1.420 10 0 CDAERP CC(C)C[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001400235648 976941013 /nfs/dbraw/zinc/94/10/13/976941013.db2.gz ZEQNXQCQMXZUFJ-HNNXBMFYSA-N 2 0 281.444 1.519 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]C/C=C\Cl ZINC001391689640 977048486 /nfs/dbraw/zinc/04/84/86/977048486.db2.gz GAOYUOXBCQHXRX-CGRPGPNWSA-N 2 0 287.835 1.564 10 0 CDAERP CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001391692659 977048504 /nfs/dbraw/zinc/04/85/04/977048504.db2.gz GDNXPIMPRBJHAH-DZGCQCFKSA-N 2 0 281.444 1.898 10 0 CDAERP CC[C@H](C(=O)N(C)[C@@H](C[NH2+]CC1CC1)C1CC1)[NH+](C)C ZINC001382037208 977128871 /nfs/dbraw/zinc/12/88/71/977128871.db2.gz WZWOSIJSDLSHEN-CABCVRRESA-N 2 0 281.444 1.563 10 0 CDAERP CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccns1)[NH+](C)C ZINC001382092230 977162407 /nfs/dbraw/zinc/16/24/07/977162407.db2.gz FWVPZSVGXBSHEQ-WCQYABFASA-N 2 0 298.456 1.420 10 0 CDAERP Cc1cnc(C[NH2+][C@@H](C)CN(C)C(=O)CC[NH+](C)C)s1 ZINC001382111183 977168927 /nfs/dbraw/zinc/16/89/27/977168927.db2.gz HIOVBSOHWDKHNT-NSHDSACASA-N 2 0 298.456 1.340 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001392076452 977214397 /nfs/dbraw/zinc/21/43/97/977214397.db2.gz UAPZFJUBRXZKFC-STQMWFEESA-N 2 0 287.423 1.655 10 0 CDAERP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC([NH2+]C/C=C/Cl)C1 ZINC001382562974 977307993 /nfs/dbraw/zinc/30/79/93/977307993.db2.gz FXTGRGPORGRASN-BKVCXKJCSA-N 2 0 285.819 1.412 10 0 CDAERP C[C@H](C[NH2+][C@@H](C)c1ccccc1)NC(=O)CC[NH+](C)C ZINC001392503954 977463846 /nfs/dbraw/zinc/46/38/46/977463846.db2.gz FIGRLCRUNZXIOP-KGLIPLIRSA-N 2 0 277.412 1.794 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H](C)[NH2+]CC1CCOCC1 ZINC001394006737 978002401 /nfs/dbraw/zinc/00/24/01/978002401.db2.gz YOADXLURCBADMP-KBPBESRZSA-N 2 0 299.459 1.238 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cc(C)no1 ZINC001394003256 978003225 /nfs/dbraw/zinc/00/32/25/978003225.db2.gz RWSMZXLVSHCXRG-STQMWFEESA-N 2 0 296.415 1.308 10 0 CDAERP CC[NH+]1CC([C@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001394275775 978123023 /nfs/dbraw/zinc/12/30/23/978123023.db2.gz ZMJJTYURQUUEDH-HOCLYGCPSA-N 2 0 295.471 1.953 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001570517722 1170174015 /nfs/dbraw/zinc/17/40/15/1170174015.db2.gz LOWCOUNCGDTVED-KGLIPLIRSA-N 2 0 267.417 1.319 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CCCF)C(C)(C)C1 ZINC001571554081 1170474913 /nfs/dbraw/zinc/47/49/13/1170474913.db2.gz CRNUQLCKJRCCRW-STQMWFEESA-N 2 0 285.407 1.267 10 0 CDAERP CC(C)[NH2+][C@H]1C[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001656170187 1171782758 /nfs/dbraw/zinc/78/27/58/1171782758.db2.gz OUYUYLBYRAPDBV-MCIONIFRSA-N 2 0 267.417 1.221 10 0 CDAERP CC[C@@H]1CN(C(=O)[C@@H]2CCc3nc[nH]c3C2)C[C@H](C)[NH2+]1 ZINC000620904853 342464402 /nfs/dbraw/zinc/46/44/02/342464402.db2.gz QMTUPRPDASKMFQ-QJPTWQEYSA-N 2 0 276.384 1.114 10 0 CDAERP C[NH+](C)CCCC[NH2+][C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000341709703 282083758 /nfs/dbraw/zinc/08/37/58/282083758.db2.gz LQCJJUAYFXCUMZ-STQMWFEESA-N 2 0 276.446 1.274 10 0 CDAERP C[N@H+](CCNC(=O)NC[C@@H]1CC[NH+]1C1CCCC1)C1CC1 ZINC000623718509 342483519 /nfs/dbraw/zinc/48/35/19/342483519.db2.gz NJWDXXJKHJYGFI-HNNXBMFYSA-N 2 0 294.443 1.397 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000589212054 342500363 /nfs/dbraw/zinc/50/03/63/342500363.db2.gz HJMDAFDFDIMYJZ-AWEZNQCLSA-N 2 0 296.459 1.596 10 0 CDAERP CCC(CC)[NH2+]C[C@H](O)CO[C@@H]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000675080764 539085859 /nfs/dbraw/zinc/08/58/59/539085859.db2.gz VKPACULMDKNVFG-SLBVQIDZSA-N 2 0 284.444 1.673 10 0 CDAERP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)C[C@@H]1COCCN1 ZINC000650755431 398180112 /nfs/dbraw/zinc/18/01/12/398180112.db2.gz FASINVBVWLVKCV-XJKSGUPXSA-N 2 0 277.412 1.263 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@@H](C)CC[NH+](C)C ZINC000650781065 398200054 /nfs/dbraw/zinc/20/00/54/398200054.db2.gz ONDARGPTGIPQDR-AWEZNQCLSA-N 2 0 286.464 1.604 10 0 CDAERP COC(=O)c1coc([C@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC000601325738 342553461 /nfs/dbraw/zinc/55/34/61/342553461.db2.gz NBRICMHLOGOLLY-SDDRHHMPSA-N 2 0 293.367 1.454 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000233017788 342035703 /nfs/dbraw/zinc/03/57/03/342035703.db2.gz IYJCYYGKMIYUDA-STQMWFEESA-N 2 0 255.406 1.175 10 0 CDAERP Cc1ccsc1[C@H](CO)NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000351604427 361794876 /nfs/dbraw/zinc/79/48/76/361794876.db2.gz DMSVVRHHMDYLKH-STQMWFEESA-N 2 0 284.425 1.135 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCOC2CCOCC2)[C@@H](C)C1 ZINC000625257173 342057964 /nfs/dbraw/zinc/05/79/64/342057964.db2.gz XJUBBLFWIQBTSP-HOCLYGCPSA-N 2 0 284.444 1.844 10 0 CDAERP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000092954939 342061696 /nfs/dbraw/zinc/06/16/96/342061696.db2.gz NZLDRIODHSUWSH-HIFRSBDPSA-N 2 0 279.428 1.319 10 0 CDAERP O=C(CN1CCC[C@H](n2ccnc2)C1)NC1CCCCC1 ZINC000591082219 342616456 /nfs/dbraw/zinc/61/64/56/342616456.db2.gz DOFOLJDVVFMLAB-HNNXBMFYSA-N 2 0 290.411 1.969 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)N2CCCC[C@@H]2c2ncc[nH]2)C1 ZINC000592503318 342705946 /nfs/dbraw/zinc/70/59/46/342705946.db2.gz AZWNFNSYSWOJBH-QWHCGFSZSA-N 2 0 291.399 1.741 10 0 CDAERP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCOCCC[NH3+])CC1 ZINC000629400347 361937959 /nfs/dbraw/zinc/93/79/59/361937959.db2.gz VAVWZCMAOGELHN-DOTOQJQBSA-N 3 0 297.487 1.985 10 0 CDAERP Cn1c(C[NH2+]CCOCCC[NH3+])nc2ccc(Cl)cc21 ZINC000629400467 361938042 /nfs/dbraw/zinc/93/80/42/361938042.db2.gz YPHWHZSLDOBCSR-UHFFFAOYSA-N 2 0 296.802 1.682 10 0 CDAERP [NH3+]CC1(CCNC(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000652209531 539038689 /nfs/dbraw/zinc/03/86/89/539038689.db2.gz NQEUFANXIQRKCN-UHFFFAOYSA-N 2 0 296.459 1.727 10 0 CDAERP CC[NH+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000245462667 539046378 /nfs/dbraw/zinc/04/63/78/539046378.db2.gz GQXCUWGPVKSHRD-LSDHHAIUSA-N 2 0 296.459 1.596 10 0 CDAERP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000151326446 539073566 /nfs/dbraw/zinc/07/35/66/539073566.db2.gz XTGTZRMEHHVIOG-CABCVRRESA-N 2 0 299.459 1.070 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655686345 539062170 /nfs/dbraw/zinc/06/21/70/539062170.db2.gz DVYBWCJURROZQU-GDBMZVCRSA-N 2 0 283.460 1.560 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCOCC[NH2+]C)C[C@H]1C ZINC000600677627 342241987 /nfs/dbraw/zinc/24/19/87/342241987.db2.gz IAGSQGQAUQWYPJ-HZSPNIEDSA-N 2 0 286.416 1.180 10 0 CDAERP CCOC(=O)C1([C@H](C)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC[NH2+]CC1 ZINC000600710032 342243731 /nfs/dbraw/zinc/24/37/31/342243731.db2.gz NEUJIPYTLDKLML-HZSPNIEDSA-N 2 0 297.443 1.038 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC000620621677 342256745 /nfs/dbraw/zinc/25/67/45/342256745.db2.gz QJINQVKRBMLSEU-ZDUSSCGKSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H]1[C@@H](C)O[C@@H](C)[C@H]1C ZINC000625976268 342284383 /nfs/dbraw/zinc/28/43/83/342284383.db2.gz YKIVBDSGBPONIH-XHJNMGKDSA-N 2 0 258.406 1.089 10 0 CDAERP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000594940514 342978703 /nfs/dbraw/zinc/97/87/03/342978703.db2.gz ZHRHSZLHQZLGHU-TUKIKUTGSA-N 2 0 280.412 1.648 10 0 CDAERP C[C@H](CSCCF)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000595017597 342995676 /nfs/dbraw/zinc/99/56/76/342995676.db2.gz KLJLBDLKVJMLLY-QWHCGFSZSA-N 2 0 277.453 1.303 10 0 CDAERP Cc1ccc(CCNc2ccnc(N(C)C)n2)cn1 ZINC000077219945 342328587 /nfs/dbraw/zinc/32/85/87/342328587.db2.gz LLGBRVMYXZQJQX-UHFFFAOYSA-N 2 0 257.341 1.901 10 0 CDAERP CSCC[C@@H](C)[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000595886781 343180850 /nfs/dbraw/zinc/18/08/50/343180850.db2.gz YTYIBGIFHHYEOG-VXGBXAGGSA-N 2 0 258.431 1.581 10 0 CDAERP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000629523811 362139921 /nfs/dbraw/zinc/13/99/21/362139921.db2.gz JNSGDRNYVPFUNI-QWHCGFSZSA-N 2 0 270.417 1.678 10 0 CDAERP [NH3+]C1(C[NH2+][C@H]2CCCC23CCOCC3)CCOCC1 ZINC000629519922 362140170 /nfs/dbraw/zinc/14/01/70/362140170.db2.gz IWJMKMFRHRZFSC-ZDUSSCGKSA-N 2 0 268.401 1.433 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H]1CCCc2sccc21 ZINC000629529252 362155727 /nfs/dbraw/zinc/15/57/27/362155727.db2.gz WOGZNGXVHDGVJT-LBPRGKRZSA-N 2 0 254.399 1.951 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H]1C[C@@H](OCC(C)C)C1(C)C ZINC000629529569 362157500 /nfs/dbraw/zinc/15/75/00/362157500.db2.gz HGJNTAIJNNDAQV-UONOGXRCSA-N 2 0 272.433 1.652 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)c1nc(C)sc1C ZINC000629530109 362162102 /nfs/dbraw/zinc/16/21/02/362162102.db2.gz VPVBBMBRVVAEBE-SECBINFHSA-N 2 0 257.403 1.647 10 0 CDAERP CN(CC1CC[NH+](C)CC1)c1nc(N)[nH+]c2c1CCCC2 ZINC000645157443 362182937 /nfs/dbraw/zinc/18/29/37/362182937.db2.gz BYHHXYAUYAXQQH-UHFFFAOYSA-N 2 0 289.427 1.546 10 0 CDAERP C[N@@H+]1CC[C@]2(CC[NH+](C[C@@H](O)CC3CCCC3)C2)C1 ZINC000336813188 362294762 /nfs/dbraw/zinc/29/47/62/362294762.db2.gz BVNPOTFVUKOOHR-HOTGVXAUSA-N 2 0 266.429 1.955 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000606371250 344998151 /nfs/dbraw/zinc/99/81/51/344998151.db2.gz DKOHCDIOWNHZPN-MRXNPFEDSA-N 2 0 293.455 1.805 10 0 CDAERP CN1Cc2ccccc2[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1=O ZINC000623240759 345743266 /nfs/dbraw/zinc/74/32/66/345743266.db2.gz VEFRSIWWNRFFNG-FAYQHZLMSA-N 2 0 299.418 1.677 10 0 CDAERP CN1Cc2ccccc2[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1=O ZINC000623240760 345743400 /nfs/dbraw/zinc/74/34/00/345743400.db2.gz VEFRSIWWNRFFNG-JWDQPFGJSA-N 2 0 299.418 1.677 10 0 CDAERP CCN(C(=O)[C@H](C)[NH+]1[C@H](C)CC[C@@H]1C)[C@@H]1CC[N@H+](C)C1 ZINC000617555934 345851722 /nfs/dbraw/zinc/85/17/22/345851722.db2.gz GIQSRWDXOKXSEA-LJISPDSOSA-N 2 0 281.444 1.800 10 0 CDAERP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623353277 346080696 /nfs/dbraw/zinc/08/06/96/346080696.db2.gz GVCPCUWEKBTHQM-OAHLLOKOSA-N 3 0 296.503 1.475 10 0 CDAERP C[C@H](C[C@@](C)([NH3+])CO)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000085213464 178976660 /nfs/dbraw/zinc/97/66/60/178976660.db2.gz MZQSYXPWUBQHND-QLFBSQMISA-N 2 0 269.433 1.035 10 0 CDAERP CC(C)NC(=O)CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623354294 346081403 /nfs/dbraw/zinc/08/14/03/346081403.db2.gz MQTJDIGJRHBXAT-GFCCVEGCSA-N 2 0 255.406 1.364 10 0 CDAERP C[NH+]1CCC(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623404345 346172019 /nfs/dbraw/zinc/17/20/19/346172019.db2.gz YGVLIDNRBOCZOQ-CQSZACIVSA-N 3 0 253.434 1.791 10 0 CDAERP [NH3+][C@H]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000085369322 179039417 /nfs/dbraw/zinc/03/94/17/179039417.db2.gz OZCOZTAOCFZJIE-ZNMIVQPWSA-N 2 0 279.428 1.591 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000085369735 179039679 /nfs/dbraw/zinc/03/96/79/179039679.db2.gz PMQWWYKVYFBZMN-GJZGRUSLSA-N 2 0 281.444 1.837 10 0 CDAERP CC(C)OC1CC([NH2+]C[C@H]2CCCCN2CCO)C1 ZINC000449396005 362692324 /nfs/dbraw/zinc/69/23/24/362692324.db2.gz RATDYWPEPCUIRL-SHARSMKWSA-N 2 0 270.417 1.379 10 0 CDAERP CCC[NH+]1CCC([NH2+][C@H](CC)[C@@H](O)C(F)F)CC1 ZINC000449421595 362706156 /nfs/dbraw/zinc/70/61/56/362706156.db2.gz JCCFPWZIEJOXPM-VXGBXAGGSA-N 2 0 264.360 1.855 10 0 CDAERP C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)CC1CC1 ZINC000053184900 346377189 /nfs/dbraw/zinc/37/71/89/346377189.db2.gz UNORFSVZNVMDHQ-UHFFFAOYSA-N 2 0 265.401 1.071 10 0 CDAERP CC1(C)C[NH2+][C@H]1C(=O)NC1CCN(c2ccccn2)CC1 ZINC000645502353 362722913 /nfs/dbraw/zinc/72/29/13/362722913.db2.gz OVYOUJHZRCOKRN-AWEZNQCLSA-N 2 0 288.395 1.165 10 0 CDAERP C[C@@H]([NH2+]CCC(=O)N1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000584774387 346429098 /nfs/dbraw/zinc/42/90/98/346429098.db2.gz PUBMZGKLOFBRDB-KGLIPLIRSA-N 2 0 267.417 1.367 10 0 CDAERP CC(C)Cc1nc2c(n1[C@@H]1CCC[N@H+](C)C1)CC[NH2+]C2 ZINC000085572136 179097386 /nfs/dbraw/zinc/09/73/86/179097386.db2.gz NYWJURRSGRZKHR-CYBMUJFWSA-N 2 0 276.428 1.994 10 0 CDAERP CC(C)c1nc2c(n1CC1CC[NH+](C)CC1)CC[NH2+]C2 ZINC000085573536 179099171 /nfs/dbraw/zinc/09/91/71/179099171.db2.gz RFOQDZODNYTCOB-UHFFFAOYSA-N 2 0 276.428 1.994 10 0 CDAERP CC[C@@H]([NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)[C@H](C)O ZINC000449540198 362752785 /nfs/dbraw/zinc/75/27/85/362752785.db2.gz JHEIHWKMTVQGMH-SWLSCSKDSA-N 2 0 274.368 1.825 10 0 CDAERP COc1ccc2[nH+]ccc(NCCC[N@H+](C)CCO)c2c1 ZINC000584603294 346497198 /nfs/dbraw/zinc/49/71/98/346497198.db2.gz STSYDHWNTTWWJE-UHFFFAOYSA-N 2 0 289.379 1.391 10 0 CDAERP C[C@H]1CCCC[C@H]1OCC[NH2+]CC1CC[NH+](CCO)CC1 ZINC000075602805 346761142 /nfs/dbraw/zinc/76/11/42/346761142.db2.gz RYPIDEMZCIOCHU-DOTOQJQBSA-N 2 0 298.471 1.876 10 0 CDAERP CC[C@@H](C1CC1)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000086121457 179235421 /nfs/dbraw/zinc/23/54/21/179235421.db2.gz BAKTVTZRAKTYMW-UONOGXRCSA-N 2 0 265.401 1.071 10 0 CDAERP C[NH+]1CCC(C[N@@H+]2CCN[C@H](Cc3ccccc3)C2)CC1 ZINC000086145668 179237574 /nfs/dbraw/zinc/23/75/74/179237574.db2.gz KURHESCZKITESE-GOSISDBHSA-N 2 0 287.451 1.845 10 0 CDAERP CC[C@@H](C)[C@@H]1CN([C@@H]2CCC[N@H+](CC)C2)CC[NH2+]1 ZINC000086143086 179237913 /nfs/dbraw/zinc/23/79/13/179237913.db2.gz PINUPRUOANAOMG-KFWWJZLASA-N 2 0 253.434 1.791 10 0 CDAERP CC[C@@H]1C[NH2+][C@H](C(C)C)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086152493 179240904 /nfs/dbraw/zinc/24/09/04/179240904.db2.gz QRHXVIKIPNCFRE-OWCLPIDISA-N 2 0 265.445 1.789 10 0 CDAERP CC[C@H]1C[NH2+][C@@H](C(C)C)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086152499 179240946 /nfs/dbraw/zinc/24/09/46/179240946.db2.gz QRHXVIKIPNCFRE-ARFHVFGLSA-N 2 0 265.445 1.789 10 0 CDAERP c1ccc([C@@H]2C[NH2+]CCN2[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000086177573 179246440 /nfs/dbraw/zinc/24/64/40/179246440.db2.gz HEUUFCBUICPVNO-SJORKVTESA-N 2 0 271.408 1.870 10 0 CDAERP C[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086259647 179259085 /nfs/dbraw/zinc/25/90/85/179259085.db2.gz HOVIDCYONCVMPI-YUELXQCFSA-N 2 0 265.445 1.932 10 0 CDAERP Cc1cccc2c1C[C@H]([NH2+][C@@H]1CN(C)C[C@@H]1C)CO2 ZINC000623608133 347656147 /nfs/dbraw/zinc/65/61/47/347656147.db2.gz YMAYSSAJDHFGQY-KCQAQPDRSA-N 2 0 260.381 1.838 10 0 CDAERP CN1CCOC[C@H]1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000623713301 347676546 /nfs/dbraw/zinc/67/65/46/347676546.db2.gz XUMABXKHMYVRHZ-QGZVFWFLSA-N 2 0 295.471 1.704 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)OCCO)[C@H]2CCC[C@H]21 ZINC000352519028 290215703 /nfs/dbraw/zinc/21/57/03/290215703.db2.gz LETWAEHPOHQFEI-HZSPNIEDSA-N 2 0 270.417 1.236 10 0 CDAERP [NH3+]CCCOCC[NH2+]C1CCc2ccccc2CC1 ZINC000629536966 362951330 /nfs/dbraw/zinc/95/13/30/362951330.db2.gz HWDPXVOQKDMLCH-UHFFFAOYSA-N 2 0 262.397 1.889 10 0 CDAERP C[C@@H]([NH2+]CCOCCC[NH3+])c1cc(F)ccc1F ZINC000629541894 362964754 /nfs/dbraw/zinc/96/47/54/362964754.db2.gz STUOVNMLJRLBDM-SNVBAGLBSA-N 2 0 258.312 1.981 10 0 CDAERP Cc1ncc([C@@H](C)[NH2+]CCOCCC[NH3+])c(C)n1 ZINC000629541543 362965398 /nfs/dbraw/zinc/96/53/98/362965398.db2.gz QLAWZAVYUOVJJN-SNVBAGLBSA-N 2 0 252.362 1.109 10 0 CDAERP Cn1c2cc(C[NH2+]C3CCC(C[NH3+])CC3)ccc2oc1=O ZINC000629546210 362972548 /nfs/dbraw/zinc/97/25/48/362972548.db2.gz FWKMIVRCQCTSGS-UHFFFAOYSA-N 2 0 289.379 1.739 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)CC[C@H]2CCC[NH2+]C2)C1 ZINC000621666019 350702390 /nfs/dbraw/zinc/70/23/90/350702390.db2.gz GXBVIYMFVNFXMY-MCIONIFRSA-N 2 0 267.417 1.223 10 0 CDAERP O=C(CC[C@@H]1CCC[NH2+]C1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000621642150 350686947 /nfs/dbraw/zinc/68/69/47/350686947.db2.gz GFICPNARPSRQNE-ARFHVFGLSA-N 2 0 293.455 1.757 10 0 CDAERP O=C(CC[C@H]1CCC[NH2+]C1)N1CCC2(CC[NH2+]2)CC1 ZINC000621665100 350701492 /nfs/dbraw/zinc/70/14/92/350701492.db2.gz QGKIKMLPAYRUAD-CYBMUJFWSA-N 2 0 265.401 1.121 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)[C@@H]1OC ZINC000628238960 362983682 /nfs/dbraw/zinc/98/36/82/362983682.db2.gz WVULVXGJCYTTJL-FQUUOJAGSA-N 2 0 270.417 1.641 10 0 CDAERP CC(C)C[C@@H]([NH3+])CN1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000414706846 366008490 /nfs/dbraw/zinc/00/84/90/366008490.db2.gz OQQPUAXKKHDTGC-LSDHHAIUSA-N 2 0 269.433 1.014 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000333446167 362993745 /nfs/dbraw/zinc/99/37/45/362993745.db2.gz WVZQVQJQEZFSPY-RRFJBIMHSA-N 2 0 296.459 1.547 10 0 CDAERP CN(CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)CC(F)F ZINC000623832146 351292813 /nfs/dbraw/zinc/29/28/13/351292813.db2.gz MXSIOGOLDWRUCZ-LLVKDONJSA-N 2 0 263.376 1.646 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1c(C)cccc1C ZINC000629571959 363026716 /nfs/dbraw/zinc/02/67/16/363026716.db2.gz UTGVBMUEGYFQDK-UHFFFAOYSA-N 2 0 250.386 1.971 10 0 CDAERP C[C@@H]1CC(C[NH2+]C[C@H](O)C[NH+]2CCCC2)C[C@@H](C)O1 ZINC000629579021 363029842 /nfs/dbraw/zinc/02/98/42/363029842.db2.gz YMKWWJVPMBLHRR-NFAWXSAZSA-N 2 0 270.417 1.236 10 0 CDAERP CCC1([NH+]2CCOCC2)CCN(CCC[NH2+]C)CC1 ZINC000629583452 363037559 /nfs/dbraw/zinc/03/75/59/363037559.db2.gz FFGAZRSSBMSGKP-UHFFFAOYSA-N 2 0 269.433 1.173 10 0 CDAERP Cc1noc([C@H]2OCC[C@H]2[NH2+][C@H](C)C2CC[NH+](C)CC2)n1 ZINC000624303475 351541092 /nfs/dbraw/zinc/54/10/92/351541092.db2.gz DQCDYACKVMHDFU-HONMWMINSA-N 2 0 294.399 1.528 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000333628204 363068143 /nfs/dbraw/zinc/06/81/43/363068143.db2.gz SJKQTVHUOXOUOY-HUUCEWRRSA-N 2 0 296.459 1.548 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC000556936308 290316816 /nfs/dbraw/zinc/31/68/16/290316816.db2.gz LYDUGQUVFJHZTL-CYBMUJFWSA-N 2 0 255.406 1.319 10 0 CDAERP C[NH+]1CCC(CC(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC000291979530 198124060 /nfs/dbraw/zinc/12/40/60/198124060.db2.gz QRLJFFZFVSADHS-UHFFFAOYSA-N 2 0 299.378 1.938 10 0 CDAERP C/C=C/C[C@H]1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000629594366 363115604 /nfs/dbraw/zinc/11/56/04/363115604.db2.gz BHHSJHTWGQEBAF-FAAWYNLUSA-N 2 0 279.428 1.487 10 0 CDAERP Cc1nccn1CCC[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629594105 363113054 /nfs/dbraw/zinc/11/30/54/363113054.db2.gz LCAYHGKXHVEFTR-GASCZTMLSA-N 2 0 262.401 1.513 10 0 CDAERP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N[C@@H]1CCCC[NH2+]C1 ZINC000333938767 363241677 /nfs/dbraw/zinc/24/16/77/363241677.db2.gz MTPHZBZZDVXXRS-MGPQQGTHSA-N 2 0 280.416 1.055 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1ccc(COC)o1 ZINC000629654246 363256300 /nfs/dbraw/zinc/25/63/00/363256300.db2.gz ONOYFYQRKFAHGN-UHFFFAOYSA-N 2 0 256.346 1.094 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1scnc1C1CC1 ZINC000629677722 363327204 /nfs/dbraw/zinc/32/72/04/363327204.db2.gz FEFSIMIQHWCDIO-UHFFFAOYSA-N 2 0 255.387 1.476 10 0 CDAERP C[C@@H](C[NH3+])CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000418490557 295891286 /nfs/dbraw/zinc/89/12/86/295891286.db2.gz NEXDOWHEGKJFAS-KBPBESRZSA-N 2 0 282.432 1.241 10 0 CDAERP CC[NH+](CC)CCSCC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000186691641 355953025 /nfs/dbraw/zinc/95/30/25/355953025.db2.gz CUBFJSQHZBFHFY-OLZOCXBDSA-N 2 0 287.473 1.176 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)C(F)(F)F)[C@H]2CCC[C@@H]21 ZINC000353395074 283138509 /nfs/dbraw/zinc/13/85/09/283138509.db2.gz OAEQJFBWTREDNH-RCWTZXSCSA-N 2 0 266.307 1.372 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](CO)CC2)[C@H]2CCC[C@@H]21 ZINC000453135740 283142899 /nfs/dbraw/zinc/14/28/99/283142899.db2.gz KAGQXJZLZZTXIL-SUJAAXHWSA-N 2 0 266.429 2.000 10 0 CDAERP C[C@@H](O)[C@@H](C)[NH2+]Cc1ccc(CC[NH+](C)C)cc1 ZINC000644629849 366266311 /nfs/dbraw/zinc/26/63/11/366266311.db2.gz RSTDSOYMJATDEU-CHWSQXEVSA-N 2 0 250.386 1.650 10 0 CDAERP CC[NH+]1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000211950671 356581979 /nfs/dbraw/zinc/58/19/79/356581979.db2.gz BRJAGNNKRVOKIG-UHFFFAOYSA-N 2 0 259.397 1.470 10 0 CDAERP CC[C@H]1C[NH+](C2CCN(CC[NH3+])CC2)C[C@H](CC)O1 ZINC000725273889 538463475 /nfs/dbraw/zinc/46/34/75/538463475.db2.gz QWPQLMWKOQVWLY-GJZGRUSLSA-N 2 0 269.433 1.299 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634768151 358511320 /nfs/dbraw/zinc/51/13/20/358511320.db2.gz YGPKBOVPOGFYST-LZWOXQAQSA-N 2 0 279.428 1.319 10 0 CDAERP CC(C)Oc1ccccc1CNCCC[NH2+]CCO ZINC000032500023 356780784 /nfs/dbraw/zinc/78/07/84/356780784.db2.gz YQXGEAKWTPOPPT-UHFFFAOYSA-N 2 0 266.385 1.535 10 0 CDAERP CC[NH+]1CCC(CC[NH2+]C[C@@H](O)C[C@@](C)(O)C2CC2)CC1 ZINC000634706151 357378454 /nfs/dbraw/zinc/37/84/54/357378454.db2.gz LPQNUIPMQNCPAD-DLBZAZTESA-N 2 0 298.471 1.610 10 0 CDAERP CCCN1CCC[C@H]1C[NH2+]C[C@H](O)C[C@](C)(O)C1CC1 ZINC000634714215 357419084 /nfs/dbraw/zinc/41/90/84/357419084.db2.gz IACLRGNFENPNCW-XHSDSOJGSA-N 2 0 284.444 1.362 10 0 CDAERP C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000089749442 357503271 /nfs/dbraw/zinc/50/32/71/357503271.db2.gz BASCJVZEFJSSQD-HNNXBMFYSA-N 3 0 265.445 1.794 10 0 CDAERP CCC[N@H+](CC)CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001660577100 1172236663 /nfs/dbraw/zinc/23/66/63/1172236663.db2.gz XGNZFUPWUYDYMJ-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C1([NH2+]C3CC3)CCC1)C2 ZINC000634741758 358189320 /nfs/dbraw/zinc/18/93/20/358189320.db2.gz OFDQRNBGYNHABC-GASCZTMLSA-N 2 0 277.412 1.119 10 0 CDAERP C[C@H](C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[NH+]1CCCCCC1 ZINC000634744649 358194078 /nfs/dbraw/zinc/19/40/78/358194078.db2.gz FZZGUAZEPYGFLE-OIISXLGYSA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)[NH2+][C@H](CCO)C1CN(Cc2ccccc2)C1 ZINC000095088360 358677719 /nfs/dbraw/zinc/67/77/19/358677719.db2.gz RGEHRZJCFHUJKL-MRXNPFEDSA-N 2 0 262.397 1.867 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000054308250 358712008 /nfs/dbraw/zinc/71/20/08/358712008.db2.gz RTNVFQWZWCBDQN-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP COc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000062113505 358800480 /nfs/dbraw/zinc/80/04/80/358800480.db2.gz XBRCNHLOXJYWRQ-GFCCVEGCSA-N 2 0 277.368 1.305 10 0 CDAERP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1)C1CCCCC1 ZINC000261928121 359092242 /nfs/dbraw/zinc/09/22/42/359092242.db2.gz LISZEGFGACUCEE-VVLHAWIVSA-N 2 0 296.455 1.674 10 0 CDAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262371101 359166435 /nfs/dbraw/zinc/16/64/35/359166435.db2.gz LYTLIOUBFOAWOI-XQLPTFJDSA-N 2 0 279.428 1.460 10 0 CDAERP C[NH2+]CC(=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000237274835 359539286 /nfs/dbraw/zinc/53/92/86/359539286.db2.gz OCYJFXOKDUGXEK-NSHDSACASA-N 2 0 297.349 1.265 10 0 CDAERP CC(C)c1noc(CCC[NH2+][C@H]2CNCC[C@@H]2C)n1 ZINC000422936939 359685343 /nfs/dbraw/zinc/68/53/43/359685343.db2.gz NGXIRQFPGNMYJS-RYUDHWBXSA-N 2 0 266.389 1.713 10 0 CDAERP CC1(C)NC(=O)CC[C@@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423418652 359779047 /nfs/dbraw/zinc/77/90/47/359779047.db2.gz HWYXTNQFXZAMPW-AVGNSLFASA-N 2 0 267.417 1.398 10 0 CDAERP CCOC(=O)C1([C@H](C)N[C@@H]2CCCC[NH2+]C2)CC[NH2+]CC1 ZINC000423555927 359856102 /nfs/dbraw/zinc/85/61/02/359856102.db2.gz MDJGLUNNSNURSV-UONOGXRCSA-N 2 0 297.443 1.040 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000336833565 359920617 /nfs/dbraw/zinc/92/06/17/359920617.db2.gz CPOBGALIPBGNGP-DLBZAZTESA-N 2 0 295.471 1.515 10 0 CDAERP CC(C)[NH+]1CCN(CCC[NH2+][C@@H]2[C@@H](C)O[C@@H](C)[C@@H]2C)CC1 ZINC000528761577 359932625 /nfs/dbraw/zinc/93/26/25/359932625.db2.gz ZDTXSJUVBAZOSI-NXOAAHMSSA-N 2 0 297.487 1.804 10 0 CDAERP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424377950 360029337 /nfs/dbraw/zinc/02/93/37/360029337.db2.gz NFMJIAYLSQRJRE-RCXZEQIESA-N 2 0 252.402 1.765 10 0 CDAERP O=C([C@@H]1CCCC[NH2+]1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371235999 296008992 /nfs/dbraw/zinc/00/89/92/296008992.db2.gz NJWHIEOLLUISLW-RDBSUJKOSA-N 2 0 265.401 1.119 10 0 CDAERP C(CC1CC[NH+]([C@H]2CCOC2)CC1)C[NH+]1CCOCC1 ZINC000348385935 360074685 /nfs/dbraw/zinc/07/46/85/360074685.db2.gz NQPHFMNRIFDNBR-INIZCTEOSA-N 2 0 282.428 1.600 10 0 CDAERP CN(C)C(=O)C1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000089424184 360175214 /nfs/dbraw/zinc/17/52/14/360175214.db2.gz GSRHLGPNAIOHDJ-CQSZACIVSA-N 2 0 267.417 1.271 10 0 CDAERP C[C@@H]([NH3+])c1ccc(C(=O)N2CCC([NH+](C)C)CC2)cc1 ZINC000335591709 360445124 /nfs/dbraw/zinc/44/51/24/360445124.db2.gz XJWGLUSIXSHQDY-GFCCVEGCSA-N 2 0 275.396 1.873 10 0 CDAERP O=C(NCCC[NH+]1CCCCC1)N[C@H]1CC[NH2+]C12CCC2 ZINC000626925960 360642480 /nfs/dbraw/zinc/64/24/80/360642480.db2.gz VJEIAEUTVSMPNZ-AWEZNQCLSA-N 2 0 294.443 1.446 10 0 CDAERP [NH3+]CC(C[NH3+])Nc1ncc(Cl)cc1Br ZINC000306593014 360642564 /nfs/dbraw/zinc/64/25/64/360642564.db2.gz IREDGDBPDKVXCA-UHFFFAOYSA-N 2 0 279.569 1.195 10 0 CDAERP C[NH2+]CCC(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000367607979 360646049 /nfs/dbraw/zinc/64/60/49/360646049.db2.gz PRXXRPJRRCBLJD-CYBMUJFWSA-N 2 0 253.390 1.073 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000626935446 360653491 /nfs/dbraw/zinc/65/34/91/360653491.db2.gz IEGXVWDVUGWSFC-LSDHHAIUSA-N 2 0 296.459 1.548 10 0 CDAERP CC1CC[NH+](CCNC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000626935028 360653932 /nfs/dbraw/zinc/65/39/32/360653932.db2.gz VIFFYNKGEPOLBA-KBPBESRZSA-N 2 0 282.432 1.158 10 0 CDAERP c1cc([C@H]2C[NH2+]CCO2)ccc1NCC12CC(C1)C[NH2+]2 ZINC000634996139 360624774 /nfs/dbraw/zinc/62/47/74/360624774.db2.gz AMBKKGVPRGWEAR-DSSZZKGTSA-N 2 0 273.380 1.511 10 0 CDAERP COc1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc(OC)c1 ZINC000635000382 360641200 /nfs/dbraw/zinc/64/12/00/360641200.db2.gz NDLIHSIQAHILBZ-DGCLKSJQSA-N 2 0 264.369 1.730 10 0 CDAERP O=C([C@@H]1CCC[NH2+]C1)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000167770315 296020011 /nfs/dbraw/zinc/02/00/11/296020011.db2.gz MLSQECODLZLTEH-CABCVRRESA-N 2 0 279.428 1.463 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1CC[C@@H]([NH3+])C1)C1CCCC1 ZINC000227803403 360946978 /nfs/dbraw/zinc/94/69/78/360946978.db2.gz RHKUGEWLIAPVCX-NWDGAFQWSA-N 2 0 253.390 1.104 10 0 CDAERP NC1=[NH+]C[C@]2(CC[N@@H+]3CCC[C@H]32)N1Cc1ccccc1 ZINC000228039005 361054456 /nfs/dbraw/zinc/05/44/56/361054456.db2.gz SKJSNRNVLRQVFY-HOCLYGCPSA-N 2 0 270.380 1.424 10 0 CDAERP CN(C(=O)CCc1cncn1C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000339171410 361327866 /nfs/dbraw/zinc/32/78/66/361327866.db2.gz OKXWYOSFKLHDJG-CQSZACIVSA-N 2 0 276.384 1.048 10 0 CDAERP C[NH+](C)CCCCC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000628965913 361362647 /nfs/dbraw/zinc/36/26/47/361362647.db2.gz LFQJCUJVKWKPNG-HNNXBMFYSA-N 2 0 281.444 1.851 10 0 CDAERP [NH3+][C@H](C(=O)N1CC[C@@H](Oc2ccncc2)C1)c1ccccc1 ZINC000238006999 361506733 /nfs/dbraw/zinc/50/67/33/361506733.db2.gz NSFLNLXBHCDOCR-CVEARBPZSA-N 2 0 297.358 1.761 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000448365812 363874860 /nfs/dbraw/zinc/87/48/60/363874860.db2.gz JUXDMSXVNULXGB-OAHLLOKOSA-N 2 0 286.379 1.778 10 0 CDAERP CC1(C)C[NH2+][C@H]1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000644129977 363964676 /nfs/dbraw/zinc/96/46/76/363964676.db2.gz ZXOGIFOGMDMHBY-ZDUSSCGKSA-N 2 0 277.343 1.408 10 0 CDAERP CC[N@@H+]1C[C@H](C)N(C(=O)C[NH+]2CC[C@H](C)C2)C[C@@H]1C ZINC000566446628 370728491 /nfs/dbraw/zinc/72/84/91/370728491.db2.gz NDVQCTHFDHNNLS-IHRRRGAJSA-N 2 0 267.417 1.269 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC000629958019 364263261 /nfs/dbraw/zinc/26/32/61/364263261.db2.gz YUFIIWSMJGQFOY-CYBMUJFWSA-N 2 0 253.390 1.023 10 0 CDAERP O=C(C[C@H]1CCC[NH2+]1)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000167778302 364360725 /nfs/dbraw/zinc/36/07/25/364360725.db2.gz BOQPPKQRYDCMKA-CABCVRRESA-N 2 0 279.428 1.605 10 0 CDAERP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000644192030 364673778 /nfs/dbraw/zinc/67/37/78/364673778.db2.gz GFJFWAZMEJPRLK-CYBMUJFWSA-N 2 0 276.384 1.669 10 0 CDAERP Cc1nccn1C[C@H]1CCC[N@@H+]1CCn1ccnc1 ZINC000163169460 364693156 /nfs/dbraw/zinc/69/31/56/364693156.db2.gz BPLWSPSBWDGFSW-CQSZACIVSA-N 3 0 259.357 1.553 10 0 CDAERP Cc1cc(C[NH2+]C[C@@H](C(C)C)N2CCN(C)CC2)on1 ZINC000312693857 364750370 /nfs/dbraw/zinc/75/03/70/364750370.db2.gz OOXPFGSFFGDZDK-HNNXBMFYSA-N 2 0 280.416 1.345 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](C)C1 ZINC000469705424 364785385 /nfs/dbraw/zinc/78/53/85/364785385.db2.gz KPVHGSZZCZVHJZ-YHUYYLMFSA-N 2 0 295.471 1.905 10 0 CDAERP C[C@@H](NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)[C@H](C)[NH3+] ZINC000418727147 296069898 /nfs/dbraw/zinc/06/98/98/296069898.db2.gz OZYBJMHRWBDGGC-SCRDCRAPSA-N 2 0 282.432 1.095 10 0 CDAERP CC[C@H](Cn1cncn1)[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000353626976 365341701 /nfs/dbraw/zinc/34/17/01/365341701.db2.gz JKDCRMWTZHZAQR-CYBMUJFWSA-N 2 0 297.472 1.474 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000626960357 366935097 /nfs/dbraw/zinc/93/50/97/366935097.db2.gz QIYINZADEYXRMH-HIFRSBDPSA-N 2 0 296.459 1.691 10 0 CDAERP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)[C@H]1C[C@H]1C ZINC000414080336 241060043 /nfs/dbraw/zinc/06/00/43/241060043.db2.gz UMYNKDBZNSRBBZ-FMKPAKJESA-N 2 0 288.439 1.968 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(C(=O)C[C@H]([NH3+])C(C)C)C1 ZINC000136460005 482918833 /nfs/dbraw/zinc/91/88/33/482918833.db2.gz OEKFQTMAKRIKJH-STQMWFEESA-N 2 0 255.406 1.303 10 0 CDAERP CC[N@@H+](Cc1cn(C)nn1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414736915 241357384 /nfs/dbraw/zinc/35/73/84/241357384.db2.gz GWOPKOREICDWPH-RYUDHWBXSA-N 2 0 251.378 1.025 10 0 CDAERP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)Cc1ccn(C(C)C)n1 ZINC000414799442 241393912 /nfs/dbraw/zinc/39/39/12/241393912.db2.gz RIJNZGSHWAMFSU-GXTWGEPZSA-N 2 0 252.406 1.968 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CNC[C@@H]([NH3+])C(C)C ZINC000414801776 241396514 /nfs/dbraw/zinc/39/65/14/241396514.db2.gz UUCCIMXFZXKPOA-OAHLLOKOSA-N 2 0 273.384 1.649 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[N@@H+]1CCCC[C@H]1CC ZINC000626982650 367131957 /nfs/dbraw/zinc/13/19/57/367131957.db2.gz NTKQXTFGLWTBCG-QLFBSQMISA-N 2 0 296.459 1.691 10 0 CDAERP C[N@H+](CCNC(=O)N[C@H]1CC[NH2+]C12CCC2)C1CCCC1 ZINC000626970729 367108717 /nfs/dbraw/zinc/10/87/17/367108717.db2.gz REZBKDFYBXJZMY-AWEZNQCLSA-N 2 0 294.443 1.445 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCC1CC[NH+](CC)CC1 ZINC000626987230 367150927 /nfs/dbraw/zinc/15/09/27/367150927.db2.gz ATORCFARGTUZLA-LSDHHAIUSA-N 2 0 296.459 1.548 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000626998718 367220121 /nfs/dbraw/zinc/22/01/21/367220121.db2.gz QXTJJEHUOXLBJA-ZNMIVQPWSA-N 2 0 296.459 1.404 10 0 CDAERP C[C@@H](NC(=O)N[C@H]1CC[NH2+]C12CCC2)C(C)(C)C[NH+](C)C ZINC000626996983 367217622 /nfs/dbraw/zinc/21/76/22/367217622.db2.gz KRQPFEMXLRUHAO-OLZOCXBDSA-N 2 0 296.459 1.547 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000627014594 367238461 /nfs/dbraw/zinc/23/84/61/367238461.db2.gz QXOYLRRZZVVUJS-UONOGXRCSA-N 2 0 296.459 1.548 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627042390 367293423 /nfs/dbraw/zinc/29/34/23/367293423.db2.gz ZTCRRMHRHCSQSX-MGPQQGTHSA-N 2 0 284.448 1.547 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000627075935 367360981 /nfs/dbraw/zinc/36/09/81/367360981.db2.gz QKLDCZBMGXWQHO-BFHYXJOUSA-N 2 0 282.432 1.334 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N[C@@H](C[NH3+])C2CCCCC2)C[NH2+]1 ZINC000627076686 367365504 /nfs/dbraw/zinc/36/55/04/367365504.db2.gz YEIQIRXYHGIHPG-XBFCOCLRSA-N 2 0 282.432 1.334 10 0 CDAERP CCCC[C@@H](C[NH3+])NC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627079853 367376662 /nfs/dbraw/zinc/37/66/62/367376662.db2.gz KVVMALNJPCJZIY-RYUDHWBXSA-N 2 0 268.405 1.088 10 0 CDAERP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627116042 367479583 /nfs/dbraw/zinc/47/95/83/367479583.db2.gz FVPSAKPZYNBCTO-HZSPNIEDSA-N 2 0 282.432 1.156 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000416853645 242186774 /nfs/dbraw/zinc/18/67/74/242186774.db2.gz VJWQEMKUYCROLK-STQMWFEESA-N 2 0 284.448 1.676 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000627164627 367597143 /nfs/dbraw/zinc/59/71/43/367597143.db2.gz FZAOPVSLZSFNLV-XQLPTFJDSA-N 2 0 296.459 1.499 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)C[NH2+]1 ZINC000627208672 367705934 /nfs/dbraw/zinc/70/59/34/367705934.db2.gz BLLKSOSMQMPNFE-VHDGCEQUSA-N 2 0 294.443 1.158 10 0 CDAERP CC(C)(C)[NH2+]CCNCCC[NH2+]Cc1cccnc1 ZINC000414858092 367717505 /nfs/dbraw/zinc/71/75/05/367717505.db2.gz HVPZCCIYYAIZSE-UHFFFAOYSA-N 2 0 264.417 1.539 10 0 CDAERP CC(=O)N[C@@H]1CC[N@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000567101875 370879966 /nfs/dbraw/zinc/87/99/66/370879966.db2.gz LOCRGPJDELLQFM-GFCCVEGCSA-N 2 0 290.392 1.644 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC000283308433 368251738 /nfs/dbraw/zinc/25/17/38/368251738.db2.gz DFCGSCUDJFWMMR-CYBMUJFWSA-N 2 0 286.379 1.939 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC[N@@H+]1C ZINC000418412910 243046632 /nfs/dbraw/zinc/04/66/32/243046632.db2.gz QHUFVKAFDYMZKR-TUVASFSCSA-N 2 0 296.459 1.628 10 0 CDAERP CC1(NC(=O)NC[C@H]([NH3+])c2ccccc2)CC[NH2+]CC1 ZINC000418454589 243097201 /nfs/dbraw/zinc/09/72/01/243097201.db2.gz QKTPMFAINDVWKG-ZDUSSCGKSA-N 2 0 276.384 1.128 10 0 CDAERP C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CC1=O ZINC000539261862 368410510 /nfs/dbraw/zinc/41/05/10/368410510.db2.gz YCHHRJDGAGNFCY-UHOFOFEASA-N 2 0 291.439 1.460 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000418562558 243216056 /nfs/dbraw/zinc/21/60/56/243216056.db2.gz GKSNUVKTUWFGKD-XQLPTFJDSA-N 2 0 296.459 1.628 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)NC[C@]2(C)CCC[NH2+]C2)CC[N@@H+]1C ZINC000418533343 243187713 /nfs/dbraw/zinc/18/77/13/243187713.db2.gz DKEQIVVODOGCJH-IIAWOOMASA-N 2 0 296.459 1.500 10 0 CDAERP CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000418583038 243238228 /nfs/dbraw/zinc/23/82/28/243238228.db2.gz WHKBQWVUSMMUDB-HUUCEWRRSA-N 2 0 296.459 1.502 10 0 CDAERP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H](C)CCC[NH3+])CC2 ZINC000418683017 243337647 /nfs/dbraw/zinc/33/76/47/243337647.db2.gz FSLWBCPRWPAFKN-KFWWJZLASA-N 2 0 296.459 1.771 10 0 CDAERP C[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)[C@H](C)[NH3+] ZINC000418711533 243364898 /nfs/dbraw/zinc/36/48/98/243364898.db2.gz WJBJIXCXZUUOPA-MJBXVCDLSA-N 2 0 282.432 1.382 10 0 CDAERP COCC1([NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000541379253 368629220 /nfs/dbraw/zinc/62/92/20/368629220.db2.gz DOHHAVDMKMFZMB-UHFFFAOYSA-N 2 0 272.352 1.844 10 0 CDAERP C[C@H](CCC[NH3+])NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000567268655 370939377 /nfs/dbraw/zinc/93/93/77/370939377.db2.gz NQTMRUILYDQBLB-OLZOCXBDSA-N 2 0 255.406 1.495 10 0 CDAERP O=C1C[C@@H](c2ccccc2)[N@H+](CC[C@@H]2CC[NH2+]C2)CCN1 ZINC000420323429 244083933 /nfs/dbraw/zinc/08/39/33/244083933.db2.gz UGLMBPJPPFKTEP-HOCLYGCPSA-N 2 0 287.407 1.549 10 0 CDAERP Cc1cnc(CC[N@H+](C)CC[C@H]2CC[NH2+]C2)s1 ZINC000420352429 244125597 /nfs/dbraw/zinc/12/55/97/244125597.db2.gz ANVNZGLSSBYHHE-GFCCVEGCSA-N 2 0 253.415 1.925 10 0 CDAERP [NH3+][C@H](c1cn(C[C@@H]2CCC[NH2+]2)nn1)c1ccc(Cl)cc1 ZINC000630606125 369388169 /nfs/dbraw/zinc/38/81/69/369388169.db2.gz UDDQUGWUGKPGDL-JSGCOSHPSA-N 2 0 291.786 1.732 10 0 CDAERP CC[NH2+][C@H](C)CNCc1ccc(-n2cncn2)cc1 ZINC000414950770 370982361 /nfs/dbraw/zinc/98/23/61/370982361.db2.gz GRSPDOVLLFCBBJ-GFCCVEGCSA-N 2 0 259.357 1.355 10 0 CDAERP COCCN1CC[C@@H]([NH2+]CC[C@H](O)c2ccccc2)C1 ZINC000289562056 369573067 /nfs/dbraw/zinc/57/30/67/369573067.db2.gz YRZYIRDNLBKROV-CVEARBPZSA-N 2 0 278.396 1.420 10 0 CDAERP C[C@H](CNC(=O)[C@]1(C)CCC[NH2+]1)C[NH+]1CCCCC1 ZINC000079518670 369856589 /nfs/dbraw/zinc/85/65/89/369856589.db2.gz HZGGFDCKGSACPQ-HIFRSBDPSA-N 2 0 267.417 1.367 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1COc2ccccc2O1 ZINC000250519523 370191708 /nfs/dbraw/zinc/19/17/08/370191708.db2.gz AGAYICWWCFPXQB-RWMBFGLXSA-N 2 0 262.353 1.543 10 0 CDAERP [NH3+]Cc1ccc(NC(=O)COC2CCC([NH3+])CC2)cc1 ZINC000564797111 370262449 /nfs/dbraw/zinc/26/24/49/370262449.db2.gz NQNUACMWKMRORY-UHFFFAOYSA-N 2 0 277.368 1.370 10 0 CDAERP c1cc2nccc(N3CCN4CCOC[C@H]4C3)c2s1 ZINC000371807640 370409984 /nfs/dbraw/zinc/40/99/84/370409984.db2.gz CEYWMKRVVFVMRY-LLVKDONJSA-N 2 0 275.377 1.817 10 0 CDAERP C[NH+](C)Cc1ccc(C(=O)NCC[N@H+]2CC=CCC2)cn1 ZINC000565668146 370505163 /nfs/dbraw/zinc/50/51/63/370505163.db2.gz XYUWVZJLNOZIDR-UHFFFAOYSA-N 2 0 288.395 1.135 10 0 CDAERP C[NH+](C)CCC1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000121062269 370483055 /nfs/dbraw/zinc/48/30/55/370483055.db2.gz HJDXSFWYFTYRRG-NSHDSACASA-N 2 0 268.323 1.573 10 0 CDAERP C[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000566090775 370604559 /nfs/dbraw/zinc/60/45/59/370604559.db2.gz MJZWEZJHCXMATJ-AEJSXWLSSA-N 2 0 254.296 1.277 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@H](C2CC2)[C@H]2CNCCO2)CC1 ZINC000422732949 245190958 /nfs/dbraw/zinc/19/09/58/245190958.db2.gz ANHWUTDXDQXTBM-IAGOWNOFSA-N 2 0 295.471 1.465 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCCN(c2ccccc2)C1 ZINC000422739875 245200585 /nfs/dbraw/zinc/20/05/85/245200585.db2.gz AOJOWLADUPAHHH-HOTGVXAUSA-N 2 0 291.439 1.999 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCCN1CCCC1=O ZINC000422774908 245240536 /nfs/dbraw/zinc/24/05/36/245240536.db2.gz YXGROJCVHNKUEY-STQMWFEESA-N 2 0 253.390 1.106 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCCN1CCCCCC1=O ZINC000422754349 245216748 /nfs/dbraw/zinc/21/67/48/245216748.db2.gz JNDIBPPXNNSJFI-AWEZNQCLSA-N 2 0 285.432 1.123 10 0 CDAERP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCC[NH+](C)C ZINC000422776479 245241775 /nfs/dbraw/zinc/24/17/75/245241775.db2.gz DRYVEFSUTZMKEN-GDBMZVCRSA-N 3 0 263.429 1.876 10 0 CDAERP [NH3+][C@@H]1CCCN(C(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000573095400 371421414 /nfs/dbraw/zinc/42/14/14/371421414.db2.gz WKVALWDEFKJBGK-IYXRBSQSSA-N 2 0 280.416 1.136 10 0 CDAERP COC[C@@H](C)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000573249272 371473914 /nfs/dbraw/zinc/47/39/14/371473914.db2.gz CAZFHVUAVSETBR-AWEZNQCLSA-N 2 0 271.449 1.227 10 0 CDAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]C(C2CCC2)C2CCC2)CC1 ZINC000573359764 371515965 /nfs/dbraw/zinc/51/59/65/371515965.db2.gz GIJVFAWJMHLCOC-INIZCTEOSA-N 2 0 295.471 1.153 10 0 CDAERP CO[C@@H](CN1CCC(CO)([NH2+]CC2CC2)CC1)C1CC1 ZINC000573568206 371582590 /nfs/dbraw/zinc/58/25/90/371582590.db2.gz TUHCBKFYPXOSKA-HNNXBMFYSA-N 2 0 282.428 1.238 10 0 CDAERP C(C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)OC[C@@H]1CCCO1 ZINC000573702635 371631416 /nfs/dbraw/zinc/63/14/16/371631416.db2.gz ZHTMGROMQXKVMY-PMPSAXMXSA-N 2 0 282.428 1.646 10 0 CDAERP CC[N@H+](CCNC(=O)N[C@H]1CCC[NH+](CC)C1)C1CC1 ZINC000171164510 371716336 /nfs/dbraw/zinc/71/63/36/371716336.db2.gz JANBLWXBIXLCPO-ZDUSSCGKSA-N 2 0 282.432 1.254 10 0 CDAERP [NH3+]CC1CCC([NH2+]CCNC(=O)c2ccccc2)CC1 ZINC000422910335 245396097 /nfs/dbraw/zinc/39/60/97/245396097.db2.gz HSDUNPPPFVQVPY-UHFFFAOYSA-N 2 0 275.396 1.524 10 0 CDAERP CC[C@H](C)NC(=O)[C@@H](C)N1CC2CCC1(C[NH3+])CC2 ZINC000578643077 372529759 /nfs/dbraw/zinc/52/97/59/372529759.db2.gz MVMOVWQXGQQLAB-HJZMNPPUSA-N 2 0 267.417 1.493 10 0 CDAERP C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)[C@H]1CC[NH2+]C1 ZINC000423021371 245503962 /nfs/dbraw/zinc/50/39/62/245503962.db2.gz BVLZAOJKXURKQJ-LXFSFDBISA-N 2 0 264.413 1.922 10 0 CDAERP CCc1nccn1[C@H]1CCC[N@H+](CCOCCOC)C1 ZINC000175653046 372683458 /nfs/dbraw/zinc/68/34/58/372683458.db2.gz GTEYAVARXLGCKQ-AWEZNQCLSA-N 2 0 281.400 1.745 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000333167402 205086942 /nfs/dbraw/zinc/08/69/42/205086942.db2.gz HOZKNHABSTXPPM-GJZGRUSLSA-N 2 0 296.459 1.406 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333381118 205272322 /nfs/dbraw/zinc/27/23/22/205272322.db2.gz NNFVFUWVPNQXAB-ZIAGYGMSSA-N 2 0 282.432 1.302 10 0 CDAERP C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000333491150 205370913 /nfs/dbraw/zinc/37/09/13/205370913.db2.gz CLCYIYFBGSAPTG-RAIGVLPGSA-N 2 0 253.390 1.008 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH+](C)C ZINC000341307668 373591090 /nfs/dbraw/zinc/59/10/90/373591090.db2.gz SKFRABPQVVPRFC-CHWSQXEVSA-N 2 0 255.406 1.175 10 0 CDAERP CC(C)[NH+]1CCN(CCCN2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000192980162 373662127 /nfs/dbraw/zinc/66/21/27/373662127.db2.gz DFJBUUYUHGWBCI-QGZVFWFLSA-N 2 0 294.487 1.183 10 0 CDAERP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@H]1CCc2ncnn21 ZINC000631821599 373701556 /nfs/dbraw/zinc/70/15/56/373701556.db2.gz CQRHKANKBYORDI-VXGBXAGGSA-N 2 0 251.378 1.071 10 0 CDAERP CC(C)N(C(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1)C(C)C ZINC000631843520 373894226 /nfs/dbraw/zinc/89/42/26/373894226.db2.gz OXPDKGISKPBMJU-CHWSQXEVSA-N 2 0 255.406 1.158 10 0 CDAERP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000423746873 246023541 /nfs/dbraw/zinc/02/35/41/246023541.db2.gz PVPFARNHRMAYIE-MNOVXSKESA-N 2 0 262.357 1.005 10 0 CDAERP CN(C)c1nccc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000342437415 374201659 /nfs/dbraw/zinc/20/16/59/374201659.db2.gz LZXGSVQWHPINQG-NEPJUHHUSA-N 2 0 261.373 1.216 10 0 CDAERP CC(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](CO)C2)CC1 ZINC000336788855 374674662 /nfs/dbraw/zinc/67/46/62/374674662.db2.gz RDEBJXRDDDFLBE-UKRRQHHQSA-N 2 0 254.418 2.000 10 0 CDAERP Cc1cc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)on1 ZINC000631057598 374777898 /nfs/dbraw/zinc/77/78/98/374777898.db2.gz XSDNTLHBCQXMPZ-UHFFFAOYSA-N 2 0 292.427 1.631 10 0 CDAERP CC[NH2+]Cc1ccccc1NC(=O)N(C)CC[NH+](C)C ZINC000415958270 375488104 /nfs/dbraw/zinc/48/81/04/375488104.db2.gz QVHSCODGVAGVOU-UHFFFAOYSA-N 2 0 278.400 1.821 10 0 CDAERP CN(CC[N@H+](C)C1CC1)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415985385 375511298 /nfs/dbraw/zinc/51/12/98/375511298.db2.gz BDAUCCPPFOOWEK-UHFFFAOYSA-N 2 0 288.395 1.848 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000638976326 376325303 /nfs/dbraw/zinc/32/53/03/376325303.db2.gz WKWKSCAOWBDCLV-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc3oc(=O)n(C)c3c2)C1 ZINC000631821633 376641759 /nfs/dbraw/zinc/64/17/59/376641759.db2.gz DPIFGWUHRGSKFT-DGCLKSJQSA-N 2 0 289.379 1.691 10 0 CDAERP CCN(CCC[NH+](CC)CC)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000418575145 284587101 /nfs/dbraw/zinc/58/71/01/284587101.db2.gz MTXXGAIMHHAXMP-GJZGRUSLSA-N 2 0 298.475 1.748 10 0 CDAERP C[NH2+][C@H](C)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000054075602 483097748 /nfs/dbraw/zinc/09/77/48/483097748.db2.gz XBKHCCCEZGBACJ-GFCCVEGCSA-N 2 0 255.406 1.365 10 0 CDAERP C[NH+]1CCC(CCNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)CC1 ZINC000417497552 377602758 /nfs/dbraw/zinc/60/27/58/377602758.db2.gz DKKIVHHSOMUTAB-HNNXBMFYSA-N 2 0 294.443 1.254 10 0 CDAERP C[C@@]1(C[NH3+])CCN(C(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000334934733 377701557 /nfs/dbraw/zinc/70/15/57/377701557.db2.gz JFVKTAOITNKHJK-AWEZNQCLSA-N 2 0 282.432 1.418 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC(C)(C)C[NH+]2CCCC2)CC[N@@H+]1C ZINC000632762112 377834505 /nfs/dbraw/zinc/83/45/05/377834505.db2.gz CFKCXHKPJDEERW-LSDHHAIUSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417528234 377877009 /nfs/dbraw/zinc/87/70/09/377877009.db2.gz FFCFBGBZKMSELE-NMWPEEMBSA-N 2 0 294.443 1.110 10 0 CDAERP CCC/C=C\CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001662303688 1172524865 /nfs/dbraw/zinc/52/48/65/1172524865.db2.gz PGGSMFBWPHGIKW-NHQLZKDQSA-N 2 0 281.444 1.921 10 0 CDAERP C[C@H](O)C[NH+]1CCC(C[NH2+]C[C@H]2CCCCO2)CC1 ZINC000069569124 378308740 /nfs/dbraw/zinc/30/87/40/378308740.db2.gz FVATTXXJGMDNFB-DZGCQCFKSA-N 2 0 270.417 1.238 10 0 CDAERP C[NH+](C)CCC[C@H]1CN(CC[C@H]2CCCC[N@@H+]2C)CCO1 ZINC000662324120 412893294 /nfs/dbraw/zinc/89/32/94/412893294.db2.gz VCGRDTOHVJFRBO-SJORKVTESA-N 2 0 297.487 1.903 10 0 CDAERP CN(CC[NH+]1CCCC1)C(=O)NCC1([NH3+])CCCCCC1 ZINC000634057335 378999956 /nfs/dbraw/zinc/99/99/56/378999956.db2.gz NDWSEIXGZPUMQD-UHFFFAOYSA-N 2 0 296.459 1.775 10 0 CDAERP Cc1cnc(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)s1 ZINC000657573496 412905519 /nfs/dbraw/zinc/90/55/19/412905519.db2.gz OLZLIITUOLGTEG-LBPRGKRZSA-N 2 0 284.473 1.813 10 0 CDAERP CCc1nn(C)cc1C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000657573800 412907789 /nfs/dbraw/zinc/90/77/89/412907789.db2.gz UVLXOLACDBUZSP-AWEZNQCLSA-N 2 0 295.475 1.344 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)C2CCC2)[C@H]2CCC[C@H]21 ZINC000453372603 252307352 /nfs/dbraw/zinc/30/73/52/252307352.db2.gz GPGDGKAEVVEROE-BARDWOONSA-N 2 0 252.402 1.610 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+]CCCC[NH+](C)C)[C@H]1SC ZINC000459394574 252700066 /nfs/dbraw/zinc/70/00/66/252700066.db2.gz XKWBPNGJPIHFAH-YNEHKIRRSA-N 2 0 260.447 1.827 10 0 CDAERP CC[C@H]1CN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC[C@H]1[NH3+] ZINC000655970549 412983298 /nfs/dbraw/zinc/98/32/98/412983298.db2.gz HWNJWVKMACYAHK-IGQOVBAYSA-N 2 0 282.432 1.095 10 0 CDAERP CC(C)[C@@](C)(O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000186680744 140065653 /nfs/dbraw/zinc/06/56/53/140065653.db2.gz JTKXKQUGASKLIH-INIZCTEOSA-N 2 0 284.444 1.438 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N[C@@H](C)CC[NH3+])CC1 ZINC000417755202 285184401 /nfs/dbraw/zinc/18/44/01/285184401.db2.gz WZRQQTBHOJFTGK-LBPRGKRZSA-N 2 0 270.421 1.145 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)CC[NH2+]1 ZINC000414743569 297399874 /nfs/dbraw/zinc/39/98/74/297399874.db2.gz HIJMVROODURQMR-TUVASFSCSA-N 2 0 252.402 1.875 10 0 CDAERP C[C@@H]([NH3+])c1csc(N(C)CC[NH+]2CCCC2)n1 ZINC000080831507 177713227 /nfs/dbraw/zinc/71/32/27/177713227.db2.gz BIVNAUONLQOGQV-SNVBAGLBSA-N 2 0 254.403 1.695 10 0 CDAERP CC(C)[C@H](C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21)[NH+]1CCCCC1 ZINC000646925966 390295097 /nfs/dbraw/zinc/29/50/97/390295097.db2.gz XPYWZRCPUWGICZ-BZUAXINKSA-N 2 0 293.455 1.659 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCC[NH2+]C2CC2)[C@@H](C)C1 ZINC000418290158 285367770 /nfs/dbraw/zinc/36/77/70/285367770.db2.gz ZRHSBACGYKKKAE-DZGCQCFKSA-N 2 0 296.459 1.500 10 0 CDAERP CC[C@@H]1CN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CC[C@H]1[NH3+] ZINC000647008778 390353851 /nfs/dbraw/zinc/35/38/51/390353851.db2.gz UTQZHPAGMUSZCH-RBSFLKMASA-N 2 0 281.444 1.837 10 0 CDAERP CC[C@@H]1CN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CC[C@H]1[NH3+] ZINC000647008777 390353873 /nfs/dbraw/zinc/35/38/73/390353873.db2.gz UTQZHPAGMUSZCH-QLFBSQMISA-N 2 0 281.444 1.837 10 0 CDAERP CC(C)[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000070576106 390412287 /nfs/dbraw/zinc/41/22/87/390412287.db2.gz VIIDVAISJCUZOM-KBPBESRZSA-N 2 0 281.444 1.835 10 0 CDAERP C[C@@]1(C[N@H+](CCO)CCc2ccccc2)CC[NH2+]C1 ZINC000647516355 390646656 /nfs/dbraw/zinc/64/66/56/390646656.db2.gz HKTCMKMAGCJBJZ-MRXNPFEDSA-N 2 0 262.397 1.523 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)CC[C@H](C)[NH3+])[C@H](C)C1 ZINC000248858773 285384267 /nfs/dbraw/zinc/38/42/67/285384267.db2.gz LRPCVMVKTSWDSH-AGIUHOORSA-N 2 0 255.406 1.303 10 0 CDAERP COC(=O)[C@H]1CCC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000120513821 390871368 /nfs/dbraw/zinc/87/13/68/390871368.db2.gz DHGUGLPVUIGVOX-QWHCGFSZSA-N 2 0 254.374 1.356 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000357980840 390927400 /nfs/dbraw/zinc/92/74/00/390927400.db2.gz VYPVTZJRCXZGHE-NWDGAFQWSA-N 2 0 293.415 1.297 10 0 CDAERP COc1cc(C)c(C[N@H+](C)CCN2CC[NH2+]CC2)c(C)n1 ZINC000647493231 390969662 /nfs/dbraw/zinc/96/96/62/390969662.db2.gz VYSXULFHGCQOMQ-UHFFFAOYSA-N 2 0 292.427 1.044 10 0 CDAERP C[N@@H+]1CCC[C@H](CNC(=O)NCC[NH3+])[C@H]1c1cccs1 ZINC000417732256 390993951 /nfs/dbraw/zinc/99/39/51/390993951.db2.gz GYDNWVYHPQPQEG-YPMHNXCESA-N 2 0 296.440 1.389 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N2CCC[C@H]2C[NH2+]C)CC1 ZINC000417746635 391011340 /nfs/dbraw/zinc/01/13/40/391011340.db2.gz HKWFSCJCGKAIGK-HNNXBMFYSA-N 2 0 296.459 1.502 10 0 CDAERP CCC[C@@H](C)C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000415126473 391035066 /nfs/dbraw/zinc/03/50/66/391035066.db2.gz MEFCQXLNFKJJIT-TZMCWYRMSA-N 2 0 265.405 1.810 10 0 CDAERP CC[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000337304181 391107698 /nfs/dbraw/zinc/10/76/98/391107698.db2.gz RGOFJAYSQNWCNW-QLFBSQMISA-N 2 0 253.434 1.743 10 0 CDAERP Cn1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1=O ZINC000647900934 391193053 /nfs/dbraw/zinc/19/30/53/391193053.db2.gz HVDFQNOUYRWZCX-CABCVRRESA-N 2 0 275.396 1.349 10 0 CDAERP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1CCN(CC(F)(F)F)C1 ZINC000532464555 391201308 /nfs/dbraw/zinc/20/13/08/391201308.db2.gz GFBNOUPVVLUQCX-VWYCJHECSA-N 2 0 265.323 1.163 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000377939835 391271586 /nfs/dbraw/zinc/27/15/86/391271586.db2.gz KBXBSERCTHNCGI-OAHLLOKOSA-N 2 0 293.455 1.805 10 0 CDAERP C[C@]1(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)CCC[NH2+]C1 ZINC000648104980 391338914 /nfs/dbraw/zinc/33/89/14/391338914.db2.gz SUEYEBFSQJGJFW-YCPHGPKFSA-N 2 0 279.428 1.367 10 0 CDAERP C[NH+](C)CC1CCN(C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000418345948 391348793 /nfs/dbraw/zinc/34/87/93/391348793.db2.gz LYRVODDBXUBSEC-CQSZACIVSA-N 2 0 296.459 1.359 10 0 CDAERP Nc1nc(N2CCC[C@H](CC[NH3+])C2)c2c([nH+]1)CCCC2 ZINC000647707274 391446774 /nfs/dbraw/zinc/44/67/74/391446774.db2.gz ABGMUHGLQMAFQG-LLVKDONJSA-N 2 0 275.400 1.333 10 0 CDAERP CCCC[C@H](C[NH3+])NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000418446651 391512539 /nfs/dbraw/zinc/51/25/39/391512539.db2.gz OMHONSMKYXSWBO-YPMHNXCESA-N 2 0 268.405 1.040 10 0 CDAERP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000527800167 391514308 /nfs/dbraw/zinc/51/43/08/391514308.db2.gz WRRAIXGJBYZMPQ-HUUCEWRRSA-N 2 0 275.396 1.849 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@H](C[NH3+])C2CCCC2)CC[NH2+]1 ZINC000417847731 391518453 /nfs/dbraw/zinc/51/84/53/391518453.db2.gz ZOTCUPDAZSOVCE-WCFLWFBJSA-N 2 0 253.390 1.008 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000418111661 391624054 /nfs/dbraw/zinc/62/40/54/391624054.db2.gz AFMMWADYORCPAB-IALDZJHCSA-N 2 0 268.405 1.038 10 0 CDAERP CC(C)(C)[C@H](O)C[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647797129 391649472 /nfs/dbraw/zinc/64/94/72/391649472.db2.gz ZPLFADIUYSQRBZ-XLWJZTARSA-N 2 0 284.444 1.122 10 0 CDAERP Cn1cnc(CCC[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)n1 ZINC000647801149 391664215 /nfs/dbraw/zinc/66/42/15/391664215.db2.gz PPQXPQLGRQKNQD-KBPBESRZSA-N 2 0 271.368 1.482 10 0 CDAERP CN(C)c1nccc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)n1 ZINC000360869589 391675604 /nfs/dbraw/zinc/67/56/04/391675604.db2.gz DPDZMVOJALLZAO-QWHCGFSZSA-N 2 0 275.400 1.463 10 0 CDAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2COc3ccc(OC)cc3C2)C1 ZINC000296200042 391691312 /nfs/dbraw/zinc/69/13/12/391691312.db2.gz YWRHNDFQYKVSHA-ZFWWWQNUSA-N 2 0 290.407 1.930 10 0 CDAERP CC[C@@H]([NH3+])CNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000418141056 391761614 /nfs/dbraw/zinc/76/16/14/391761614.db2.gz XQIUIOHYNGBIMY-PNESKVBLSA-N 2 0 268.405 1.040 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC000647854961 391865467 /nfs/dbraw/zinc/86/54/67/391865467.db2.gz VPHKUVJOYPPBRC-YWPYICTPSA-N 2 0 275.396 1.663 10 0 CDAERP COC(C)(C)CC[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000336805670 392087826 /nfs/dbraw/zinc/08/78/26/392087826.db2.gz KYUSNQAAZKABJI-UHFFFAOYSA-N 2 0 271.449 1.371 10 0 CDAERP CC(C)C(=O)NC1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000262004113 392029586 /nfs/dbraw/zinc/02/95/86/392029586.db2.gz LQXJSEKHQFJKTO-OAHLLOKOSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000649373016 392125214 /nfs/dbraw/zinc/12/52/14/392125214.db2.gz NDTYJOYAYYCDRR-LBPRGKRZSA-N 2 0 253.390 1.118 10 0 CDAERP c1ccc(C[N@H+]2CCC[C@@H](CN[C@H]3CC[NH2+]C3)C2)cc1 ZINC000380947054 392193363 /nfs/dbraw/zinc/19/33/63/392193363.db2.gz PIUIWOPBKTUXDZ-IRXDYDNUSA-N 2 0 273.424 1.850 10 0 CDAERP c1ccn2c(c1)nnc2C1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000649411440 392194375 /nfs/dbraw/zinc/19/43/75/392194375.db2.gz YFLHFLYUMUIGPS-CYBMUJFWSA-N 2 0 285.395 1.518 10 0 CDAERP CC1CC[NH+](CC(=O)N2CCC3(C2)CC[NH+](C)CC3)CC1 ZINC000646248124 392205202 /nfs/dbraw/zinc/20/52/02/392205202.db2.gz SKMVEBNNOILBIU-UHFFFAOYSA-N 2 0 293.455 1.663 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C ZINC000423097321 392341281 /nfs/dbraw/zinc/34/12/81/392341281.db2.gz AMTOXCSTAQWGEE-JHJVBQTASA-N 2 0 260.422 1.252 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](CN(C)C)c1ccc(F)cc1 ZINC000423104923 392347980 /nfs/dbraw/zinc/34/79/80/392347980.db2.gz HNTFWYDRJJDERL-HOTGVXAUSA-N 2 0 297.418 1.772 10 0 CDAERP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CC[C@@H]2C)CC[NH2+]CC1 ZINC000423103739 392348092 /nfs/dbraw/zinc/34/80/92/392348092.db2.gz GLOLFLDWCSRIGI-AVGNSLFASA-N 2 0 268.401 1.696 10 0 CDAERP CCOC(=O)C1([C@@H](C)[NH2+]C2CC(F)(F)C2)CC[NH2+]CC1 ZINC000423079586 392325343 /nfs/dbraw/zinc/32/53/43/392325343.db2.gz YKIRLCGBIYQSDI-SNVBAGLBSA-N 2 0 290.354 1.695 10 0 CDAERP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1cn[nH]c1 ZINC000423122648 392361583 /nfs/dbraw/zinc/36/15/83/392361583.db2.gz KUCBYHBXKTZZLU-DOMZBBRYSA-N 2 0 258.369 1.500 10 0 CDAERP CCC[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccccn1 ZINC000423200218 392438013 /nfs/dbraw/zinc/43/80/13/392438013.db2.gz DZCGRDGAMJOHNP-CQSZACIVSA-N 2 0 262.401 1.418 10 0 CDAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000645889675 392473480 /nfs/dbraw/zinc/47/34/80/392473480.db2.gz WSHVFIRGQMRZKS-DZGCQCFKSA-N 2 0 283.335 1.205 10 0 CDAERP COc1ccc([C@H](NCC(C)(C)[NH3+])[C@@H]2CCC[NH2+]2)cc1 ZINC000423287337 392489382 /nfs/dbraw/zinc/48/93/82/392489382.db2.gz LOVHGORACJSRCL-GJZGRUSLSA-N 2 0 277.412 1.815 10 0 CDAERP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]CCC[NH3+] ZINC000437783784 392490296 /nfs/dbraw/zinc/49/02/96/392490296.db2.gz IOQGUHMYBWEVCJ-ZDUSSCGKSA-N 2 0 266.385 1.963 10 0 CDAERP O[C@@H](C[NH2+]C[C@H]1CCC2(CCCC2)O1)C[NH+]1CCCC1 ZINC000656155283 413053413 /nfs/dbraw/zinc/05/34/13/413053413.db2.gz PEQNJZQKZAWULH-LSDHHAIUSA-N 2 0 282.428 1.525 10 0 CDAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)Cc1ccoc1 ZINC000449252001 392732479 /nfs/dbraw/zinc/73/24/79/392732479.db2.gz TZQJXCGVDXLVDK-HUUCEWRRSA-N 2 0 279.428 1.826 10 0 CDAERP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCC(=O)NC2(C)C)C1 ZINC000494924062 393131601 /nfs/dbraw/zinc/13/16/01/393131601.db2.gz OWNOXXFQHNTVQC-QWHCGFSZSA-N 2 0 267.417 1.365 10 0 CDAERP CCC[C@H](C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)[NH+](C)C ZINC000132729163 393137091 /nfs/dbraw/zinc/13/70/91/393137091.db2.gz TUHURYWPJJKQSF-MELADBBJSA-N 2 0 269.433 1.706 10 0 CDAERP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649281490 393315824 /nfs/dbraw/zinc/31/58/24/393315824.db2.gz MTEJNURQPVCIDM-ZACQAIPSSA-N 2 0 299.418 1.649 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CCCSCC1)N1CC[NH+](C)CC1 ZINC000657873784 413066363 /nfs/dbraw/zinc/06/63/63/413066363.db2.gz VELLDXBZMQUADC-ZIAGYGMSSA-N 2 0 271.474 1.498 10 0 CDAERP C[C@H](Cn1cncn1)[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000657883824 413070565 /nfs/dbraw/zinc/07/05/65/413070565.db2.gz GDZAKXLBGPYYTQ-GFCCVEGCSA-N 2 0 291.374 1.657 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C1CC(CF)(CF)C1 ZINC000657883568 413069815 /nfs/dbraw/zinc/06/98/15/413069815.db2.gz ZEKJLAWJWAREQK-GFCCVEGCSA-N 2 0 275.387 1.300 10 0 CDAERP CCC[C@H](C[NH3+])N1CCN(c2cc[nH+]cc2C)CC1 ZINC000070489013 134950695 /nfs/dbraw/zinc/95/06/95/134950695.db2.gz DUNJSRNWMPFAOA-CQSZACIVSA-N 2 0 262.401 1.639 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000232645649 140223138 /nfs/dbraw/zinc/22/31/38/140223138.db2.gz RBCRTFQQJBOQDC-STQMWFEESA-N 2 0 267.417 1.364 10 0 CDAERP CN(C)c1ncc(CN2CC[C@@H]([NH3+])C(C)(C)C2)s1 ZINC000261639292 140367887 /nfs/dbraw/zinc/36/78/87/140367887.db2.gz GDVBUZZHDDMKEG-LLVKDONJSA-N 2 0 268.430 1.768 10 0 CDAERP [NH3+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261717655 140379860 /nfs/dbraw/zinc/37/98/60/140379860.db2.gz GRSNKVRQFBWPEY-HUUCEWRRSA-N 2 0 275.396 1.349 10 0 CDAERP [NH3+]CC1(CC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CCCCC1 ZINC000261772844 140387411 /nfs/dbraw/zinc/38/74/11/140387411.db2.gz KMARPLAEWDCDTP-GASCZTMLSA-N 2 0 293.455 1.744 10 0 CDAERP COCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000656201689 413101217 /nfs/dbraw/zinc/10/12/17/413101217.db2.gz XJZFNKNXOJMHKR-MGPQQGTHSA-N 2 0 252.402 1.923 10 0 CDAERP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCCSCC1 ZINC000657975962 413117598 /nfs/dbraw/zinc/11/75/98/413117598.db2.gz ITTOAPHRYUSXJQ-GJZGRUSLSA-N 2 0 285.501 1.888 10 0 CDAERP CC(C)=CC[NH+](CCNC(=O)C[N@@H+](C)C(C)C)C1CC1 ZINC001663777947 1172762118 /nfs/dbraw/zinc/76/21/18/1172762118.db2.gz XGXJJJABNCZZSL-UHFFFAOYSA-N 2 0 281.444 1.873 10 0 CDAERP CC[NH+](CC)CCCNC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000660284441 413153745 /nfs/dbraw/zinc/15/37/45/413153745.db2.gz VISLVQSQDZOGEP-AWEZNQCLSA-N 2 0 298.475 1.890 10 0 CDAERP CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)C[NH+](CC)CC ZINC000547475722 397726486 /nfs/dbraw/zinc/72/64/86/397726486.db2.gz GHPSSXREEPICST-CQSZACIVSA-N 2 0 269.433 1.661 10 0 CDAERP COC(=O)CC1(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)CC1 ZINC000420402082 397702739 /nfs/dbraw/zinc/70/27/39/397702739.db2.gz QBUZKAOVFXHDJX-KBPBESRZSA-N 2 0 280.412 1.794 10 0 CDAERP CN(C(=O)[C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1C[NH+]2CCC1CC2 ZINC000388668782 397793063 /nfs/dbraw/zinc/79/30/63/397793063.db2.gz BKWGJJJKYVYNGU-HZSPNIEDSA-N 2 0 265.401 1.057 10 0 CDAERP CN(C(=O)CC[C@@H]1CCC[NH2+]1)[C@H]1C[NH+]2CCC1CC2 ZINC000389192163 397846651 /nfs/dbraw/zinc/84/66/51/397846651.db2.gz OOSDYDLNDFTTGJ-KBPBESRZSA-N 2 0 265.401 1.071 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N(C)C[C@@H]1CCC[NH+]1C ZINC000651196560 397875272 /nfs/dbraw/zinc/87/52/72/397875272.db2.gz FQJOZFDPEJJRHA-HNNXBMFYSA-N 2 0 298.475 1.700 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C2(O)CC2)CC1 ZINC000649671444 397894573 /nfs/dbraw/zinc/89/45/73/397894573.db2.gz VZFFRCBUEQAWJA-CQSZACIVSA-N 2 0 252.402 1.708 10 0 CDAERP Cn1cc(CC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cn1 ZINC000300063949 398072569 /nfs/dbraw/zinc/07/25/69/398072569.db2.gz BAJZQFOBLHFHLF-LSDHHAIUSA-N 2 0 262.401 1.427 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC1CC[NH+](C)CC1 ZINC000176147333 148025708 /nfs/dbraw/zinc/02/57/08/148025708.db2.gz PVFDVMMPNIZOBU-CQSZACIVSA-N 2 0 282.432 1.206 10 0 CDAERP C[C@@H](CC(=O)N1CCC[N@@H+](C2CC2)CC1)C1CC[NH2+]CC1 ZINC000178747729 148085015 /nfs/dbraw/zinc/08/50/15/148085015.db2.gz LINTZLXHHUKTSG-AWEZNQCLSA-N 2 0 293.455 1.709 10 0 CDAERP COC[C@H](C)[N@@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000182901191 148273106 /nfs/dbraw/zinc/27/31/06/148273106.db2.gz FOLCSPNBQLYZRT-GJZGRUSLSA-N 2 0 269.433 1.123 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000262131772 149024328 /nfs/dbraw/zinc/02/43/28/149024328.db2.gz YFZPSNHIFXZKQG-KRWDZBQOSA-N 2 0 297.406 1.761 10 0 CDAERP CC(C)[NH+](CCCNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)C(C)C ZINC000262395584 149057329 /nfs/dbraw/zinc/05/73/29/149057329.db2.gz QEQWGAQBWKRISU-GJZGRUSLSA-N 2 0 283.460 2.000 10 0 CDAERP C[C@@H]1C[C@@H](C[NH+]2CCC(c3c[nH]cn3)CC2)CC[NH2+]1 ZINC000334879254 150024639 /nfs/dbraw/zinc/02/46/39/150024639.db2.gz ATHXJSFRWCQDDM-OLZOCXBDSA-N 3 0 262.401 1.977 10 0 CDAERP CC1=CC[N@H+](CCNC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000335186597 150383913 /nfs/dbraw/zinc/38/39/13/150383913.db2.gz MZIRHGZVCBNPTL-MRXNPFEDSA-N 2 0 292.427 1.033 10 0 CDAERP [NH3+]CC1(CC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CCCCC1 ZINC000335809505 151038844 /nfs/dbraw/zinc/03/88/44/151038844.db2.gz DLXUBGVOCSWKEX-KBPBESRZSA-N 2 0 279.428 1.496 10 0 CDAERP COCC1(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CC[NH2+]CC1 ZINC000423396227 292247759 /nfs/dbraw/zinc/24/77/59/292247759.db2.gz AYFPIOITDYLHDZ-OAGGEKHMSA-N 3 0 295.471 1.465 10 0 CDAERP COc1ccc(C[NH2+][C@H]2CN(C)C[C@H]2C)c(OC)c1 ZINC000343477348 152195206 /nfs/dbraw/zinc/19/52/06/152195206.db2.gz OLXLFLACKWPUIU-RISCZKNCSA-N 2 0 264.369 1.744 10 0 CDAERP CC[N@H+](CCNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)C1CC1 ZINC000654419983 413263640 /nfs/dbraw/zinc/26/36/40/413263640.db2.gz QWSRBPHUDUNPJX-XBXGTLAGSA-N 2 0 282.432 1.110 10 0 CDAERP COc1ccc([C@H](NC[C@H]2CCC[NH2+]2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423230923 286375909 /nfs/dbraw/zinc/37/59/09/286375909.db2.gz FSVBRCUWBZQBRG-PVAVHDDUSA-N 2 0 289.423 1.830 10 0 CDAERP CC[NH+](CC)CCCCNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662683808 413306778 /nfs/dbraw/zinc/30/67/78/413306778.db2.gz UJMHELFBLYBETG-UHFFFAOYSA-N 2 0 281.444 1.899 10 0 CDAERP CC(C)([NH3+])CC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000662685288 413310239 /nfs/dbraw/zinc/31/02/39/413310239.db2.gz AQPDHUDHCQGKFX-CYBMUJFWSA-N 2 0 277.368 1.413 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)CC2([NH3+])CC2)C1 ZINC000662696358 413330379 /nfs/dbraw/zinc/33/03/79/413330379.db2.gz XZSYOADAQCWQDK-BETUJISGSA-N 2 0 281.444 1.741 10 0 CDAERP COc1c[nH+]ccc1N1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC000355653592 157168229 /nfs/dbraw/zinc/16/82/29/157168229.db2.gz QSNOXIQIESGOGD-AWEZNQCLSA-N 2 0 291.395 1.639 10 0 CDAERP C[C@@H]1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)[C@H](C[NH3+])C1 ZINC000662702365 413349321 /nfs/dbraw/zinc/34/93/21/413349321.db2.gz YGZSVBZTSZJMLX-ILXRZTDVSA-N 2 0 281.444 1.837 10 0 CDAERP O=C(N1CC[C@H]([NH+]2CCCCC2)C1)C1([NH2+]C2CC2)CCC1 ZINC000662718948 413375789 /nfs/dbraw/zinc/37/57/89/413375789.db2.gz VOYFWCBZMNPFOG-HNNXBMFYSA-N 2 0 291.439 1.748 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)CC2([NH3+])CC2)CC1 ZINC000662730060 413393582 /nfs/dbraw/zinc/39/35/82/413393582.db2.gz ZXXXATONGWSSEF-UHFFFAOYSA-N 2 0 253.390 1.106 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000362520658 159167357 /nfs/dbraw/zinc/16/73/57/159167357.db2.gz GVVGFSINUPVKSL-HUUCEWRRSA-N 2 0 281.444 1.804 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000662730582 413395393 /nfs/dbraw/zinc/39/53/93/413395393.db2.gz JVIJWLPPLQYXOY-SMDDNHRTSA-N 2 0 263.385 1.810 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662731647 413397026 /nfs/dbraw/zinc/39/70/26/413397026.db2.gz HVGZLZCGESOLAV-CABCVRRESA-N 2 0 275.396 1.711 10 0 CDAERP c1ncc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cn1 ZINC000371417728 160008081 /nfs/dbraw/zinc/00/80/81/160008081.db2.gz WVZIBPZJJANDIX-UHFFFAOYSA-N 2 0 290.411 1.411 10 0 CDAERP C[C@H](C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[C@@H]([NH3+])c1ccccc1 ZINC000662748312 413424814 /nfs/dbraw/zinc/42/48/14/413424814.db2.gz PJLGLSKWDCEMOT-IGHBBLSQSA-N 2 0 279.359 1.220 10 0 CDAERP C[NH+](C)CCNC(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC001587102230 1172971505 /nfs/dbraw/zinc/97/15/05/1172971505.db2.gz QEBRKBBRURDKGA-UHFFFAOYSA-N 2 0 265.357 1.167 10 0 CDAERP CC(C)[C@H]1CN(C(=O)C2([NH2+]C3CC3)CCC2)CC[NH2+]1 ZINC000662770533 413469718 /nfs/dbraw/zinc/46/97/18/413469718.db2.gz PJVOWCLOJJKFDT-CYBMUJFWSA-N 2 0 265.401 1.118 10 0 CDAERP C[C@H](C[NH2+]C[C@H]1C[NH2+]C[C@H]1O)c1cccc(Cl)c1 ZINC000263218829 165052751 /nfs/dbraw/zinc/05/27/51/165052751.db2.gz LMLZMUSNHMREBI-SCDSUCTJSA-N 2 0 268.788 1.613 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000662668287 411819043 /nfs/dbraw/zinc/81/90/43/411819043.db2.gz KCYWFMFFPQGYHN-HIFRSBDPSA-N 2 0 297.443 1.262 10 0 CDAERP C[C@@H](C(=O)Nc1ccc(C[NH3+])cc1)[NH+]1CCCCC1 ZINC000022212485 171373892 /nfs/dbraw/zinc/37/38/92/171373892.db2.gz MWDGCBUZNGAPJC-LBPRGKRZSA-N 2 0 261.369 1.958 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000653210604 412140182 /nfs/dbraw/zinc/14/01/82/412140182.db2.gz BZLURKSBHHFBDT-KRWDZBQOSA-N 2 0 297.402 1.765 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000653214351 412142237 /nfs/dbraw/zinc/14/22/37/412142237.db2.gz QTGDQNRXKVNHJO-WBVHZDCISA-N 2 0 289.423 1.930 10 0 CDAERP CC(C)[NH2+]CCC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000662864942 413625148 /nfs/dbraw/zinc/62/51/48/413625148.db2.gz IPNNAWMPWCWZKX-HZPDHXFCSA-N 2 0 289.423 1.636 10 0 CDAERP C[NH2+]C[C@H](C)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659365700 413747950 /nfs/dbraw/zinc/74/79/50/413747950.db2.gz HUVUFZOTECKKIX-FZMZJTMJSA-N 2 0 277.368 1.142 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)N(C)CC1C[NH+](C)C1 ZINC000661201285 413876983 /nfs/dbraw/zinc/87/69/83/413876983.db2.gz FDRQTVMQEHQWBW-ZDUSSCGKSA-N 2 0 284.448 1.310 10 0 CDAERP COC1CC(CC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000665230200 413953397 /nfs/dbraw/zinc/95/33/97/413953397.db2.gz LCEYHAFAUZVQLS-UIEKQHFFSA-N 2 0 282.428 1.548 10 0 CDAERP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000659536470 413937541 /nfs/dbraw/zinc/93/75/41/413937541.db2.gz IAHSUFXZCPKBPE-SOUVJXGZSA-N 2 0 296.459 1.404 10 0 CDAERP CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]CCCc2cncn2C)C1 ZINC000661215441 413895708 /nfs/dbraw/zinc/89/57/08/413895708.db2.gz GHEZUJHMVAPADI-FVQBIDKESA-N 2 0 295.427 1.508 10 0 CDAERP [NH3+][C@H]1CCC[C@H]([NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)C1 ZINC000665274795 414008986 /nfs/dbraw/zinc/00/89/86/414008986.db2.gz YMTGDLGXIMABTG-CAOSSQGBSA-N 2 0 293.455 1.489 10 0 CDAERP COC[C@H](CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)OC ZINC000665234297 413956457 /nfs/dbraw/zinc/95/64/57/413956457.db2.gz ALPLQJSDSFWNEW-SYQHCUMBSA-N 2 0 256.390 1.016 10 0 CDAERP CC(=O)NCc1ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000665234334 413957383 /nfs/dbraw/zinc/95/73/83/413957383.db2.gz BDNFOSGBKSYXOO-VXGBXAGGSA-N 2 0 263.385 1.538 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCN(C(C)(C)C)C1 ZINC000665236927 413966834 /nfs/dbraw/zinc/96/68/34/413966834.db2.gz WSEOVACZKBPXLE-CHWSQXEVSA-N 2 0 257.422 1.203 10 0 CDAERP C[C@@H](C[NH3+])N(C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659577292 413992198 /nfs/dbraw/zinc/99/21/98/413992198.db2.gz PSMORPJJLIDJRG-NWANDNLSSA-N 2 0 290.411 1.121 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000659618929 414030330 /nfs/dbraw/zinc/03/03/30/414030330.db2.gz LGZZJYVSDVWIQP-ZBFHGGJFSA-N 2 0 296.459 1.487 10 0 CDAERP CCCN(CCC[NH+](C)C)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659623295 414035588 /nfs/dbraw/zinc/03/55/88/414035588.db2.gz YTGGTSUXFJECPU-CQSZACIVSA-N 2 0 286.464 1.733 10 0 CDAERP CC(C)C(=O)NCC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C)C1 ZINC000037220613 173039187 /nfs/dbraw/zinc/03/91/87/173039187.db2.gz PLKHADQNUBJODO-STQMWFEESA-N 2 0 255.406 1.079 10 0 CDAERP C[NH+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000665359986 414106506 /nfs/dbraw/zinc/10/65/06/414106506.db2.gz NZQAZKCUMKDJJP-UONOGXRCSA-N 2 0 296.459 1.452 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2[nH]nc3ccccc32)C1 ZINC000655827292 414237148 /nfs/dbraw/zinc/23/71/48/414237148.db2.gz QNOKAQRQPBUCEC-TXEJJXNPSA-N 2 0 258.369 1.993 10 0 CDAERP C[C@H]1C[NH+](CCN2CCC([NH+](C)C)CC2)C[C@H](C)O1 ZINC000659839825 414169498 /nfs/dbraw/zinc/16/94/98/414169498.db2.gz YRWMKFZHFMGGFS-KBPBESRZSA-N 2 0 269.433 1.122 10 0 CDAERP CC[C@H]1C[C@H]([NH2+]C2CC[NH+](CCCOC)CC2)CO1 ZINC000657343506 414184993 /nfs/dbraw/zinc/18/49/93/414184993.db2.gz PEQDOEZJHYSFGU-GJZGRUSLSA-N 2 0 270.417 1.644 10 0 CDAERP Cc1nccn1CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657337724 414196207 /nfs/dbraw/zinc/19/62/07/414196207.db2.gz HSTDEZDLDJZCIP-UHFFFAOYSA-N 2 0 282.351 1.562 10 0 CDAERP CC(C)[N@H+](C)CC1CC[NH+](C[C@]2(O)CCCOC2)CC1 ZINC000659877495 414213305 /nfs/dbraw/zinc/21/33/05/414213305.db2.gz SDVKARZHMNMKIA-MRXNPFEDSA-N 2 0 284.444 1.580 10 0 CDAERP CC(C)[C@H]([NH3+])CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000663502099 414300975 /nfs/dbraw/zinc/30/09/75/414300975.db2.gz FQVOTZXIKQOIRO-GBJTYRQASA-N 2 0 253.434 1.870 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+]CC(C)(C)C)CC1 ZINC000663503997 414306170 /nfs/dbraw/zinc/30/61/70/414306170.db2.gz PIHNHGQQWLMVAL-UHFFFAOYSA-N 2 0 269.433 1.613 10 0 CDAERP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657420872 414307742 /nfs/dbraw/zinc/30/77/42/414307742.db2.gz BZXKTLNJXKCXHB-CABCVRRESA-N 2 0 299.378 1.272 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NCC[C@H](C)[NH+](C)C ZINC000663624248 414377996 /nfs/dbraw/zinc/37/79/96/414377996.db2.gz MTMABIADPNAGMQ-QWHCGFSZSA-N 2 0 272.437 1.356 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1C2CCC1CC2 ZINC000665638083 414322534 /nfs/dbraw/zinc/32/25/34/414322534.db2.gz YHGRVQIYAHOBBN-NFOMZHRRSA-N 2 0 296.459 1.595 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657504843 414404667 /nfs/dbraw/zinc/40/46/67/414404667.db2.gz PHVOAMHZQGPSPW-AKAXFMLLSA-N 2 0 285.395 1.697 10 0 CDAERP Cn1cncc1CCC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000662277741 414608399 /nfs/dbraw/zinc/60/83/99/414608399.db2.gz WQLBHZJAXHXDHB-GDBMZVCRSA-N 2 0 276.428 1.817 10 0 CDAERP FC1(F)C[C@]12CC[N@H+](C[C@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000662282985 414614557 /nfs/dbraw/zinc/61/45/57/414614557.db2.gz FREHANIFQZNCPJ-MNOVXSKESA-N 2 0 258.312 1.239 10 0 CDAERP CCO[C@@H]1C[N@H+](C[C@H](OC)C2CCC2)C[C@H]1C[NH3+] ZINC000662285527 414616047 /nfs/dbraw/zinc/61/60/47/414616047.db2.gz KXAJDNARJTZBGU-HZSPNIEDSA-N 2 0 256.390 1.097 10 0 CDAERP COC[C@@H](C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)OC ZINC000662296126 414621910 /nfs/dbraw/zinc/62/19/10/414621910.db2.gz XWLWRJLADCNIEH-HUUCEWRRSA-N 2 0 270.417 1.359 10 0 CDAERP CN(C)C(=O)N(C)[C@@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000662315294 414633036 /nfs/dbraw/zinc/63/30/36/414633036.db2.gz DQZZPQNOCGLAGE-CQSZACIVSA-N 2 0 282.432 1.064 10 0 CDAERP C[N@@H+](Cc1cccc2c1CC[NH2+]C2)C[C@@H]1COCCO1 ZINC000662307756 414630145 /nfs/dbraw/zinc/63/01/45/414630145.db2.gz YTIHRGAPEHTRSY-OAHLLOKOSA-N 2 0 276.380 1.180 10 0 CDAERP CC[C@H](C)[NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000040419933 174257416 /nfs/dbraw/zinc/25/74/16/174257416.db2.gz BLIWUFWTZLJQDD-DZGCQCFKSA-N 2 0 277.412 1.794 10 0 CDAERP [NH3+]CCNC(=O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000040605563 174353007 /nfs/dbraw/zinc/35/30/07/174353007.db2.gz PNWORZOSECCEST-UHFFFAOYSA-N 2 0 275.396 1.016 10 0 CDAERP O=C(C[C@@H]1CCCC[NH2+]1)N1CCC([NH+]2CCCCC2)CC1 ZINC000040694365 174377638 /nfs/dbraw/zinc/37/76/38/174377638.db2.gz XODUXHNJKCBHSH-HNNXBMFYSA-N 2 0 293.455 1.996 10 0 CDAERP CCc1cc(N2CCC[N@H+](CCCC[NH3+])CC2)ncn1 ZINC000040764938 174397841 /nfs/dbraw/zinc/39/78/41/174397841.db2.gz UJARPOYBBPPWGL-UHFFFAOYSA-N 2 0 277.416 1.290 10 0 CDAERP C[C@@H]([NH3+])[C@@H](c1cccnc1)N1CC[NH+](CC2CC2)CC1 ZINC000043347665 175017764 /nfs/dbraw/zinc/01/77/64/175017764.db2.gz BHCCEPRPSUIWRX-CJNGLKHVSA-N 2 0 274.412 1.498 10 0 CDAERP Cc1ccc(C[NH3+])c(N(CC[NH+](C)C)CC(C)C)n1 ZINC000043396041 175036463 /nfs/dbraw/zinc/03/64/63/175036463.db2.gz JHLHDQLZIYJKFU-UHFFFAOYSA-N 2 0 264.417 1.873 10 0 CDAERP COCC[NH+](CCC[C@H]1CCC[NH2+]C1)CCOC ZINC000043591987 175074285 /nfs/dbraw/zinc/07/42/85/175074285.db2.gz GBTTVDJWGZFFMF-CQSZACIVSA-N 2 0 258.406 1.361 10 0 CDAERP CC[NH2+][C@H]1c2ccccc2CC[C@@H]1N1CC[NH+](C)CC1 ZINC000043810877 175110568 /nfs/dbraw/zinc/11/05/68/175110568.db2.gz XTVCACHLYMYXQN-IRXDYDNUSA-N 2 0 273.424 1.899 10 0 CDAERP CC[NH2+][C@H]1CCCC[C@@H]1N1CCC([NH+](C)C)CC1 ZINC000043897475 175120659 /nfs/dbraw/zinc/12/06/59/175120659.db2.gz SDDANGIKWLCNCE-GJZGRUSLSA-N 2 0 253.434 1.933 10 0 CDAERP CC[NH2+][C@@H]1CCOC[C@@H]1N(C)C1CC[NH+](CC)CC1 ZINC000043978386 175133423 /nfs/dbraw/zinc/13/34/23/175133423.db2.gz YXCHGTKONHVFOT-CABCVRRESA-N 2 0 269.433 1.170 10 0 CDAERP CC[NH2+][C@H]1CCOC[C@H]1N(C)C1CC[NH+](CC)CC1 ZINC000043978401 175133427 /nfs/dbraw/zinc/13/34/27/175133427.db2.gz YXCHGTKONHVFOT-LSDHHAIUSA-N 2 0 269.433 1.170 10 0 CDAERP CC(C)[N@H+](C)CCCC[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000044573110 175210354 /nfs/dbraw/zinc/21/03/54/175210354.db2.gz GWSFALJNPADFER-UHFFFAOYSA-N 2 0 277.412 1.996 10 0 CDAERP CCC[NH2+]CC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000044651189 175224857 /nfs/dbraw/zinc/22/48/57/175224857.db2.gz XCBLIXBUDNICPM-HIFRSBDPSA-N 2 0 269.433 1.613 10 0 CDAERP CCCC(C[NH3+])(CCC)C(=O)NCCC[NH+](C)C ZINC000044794745 175254707 /nfs/dbraw/zinc/25/47/07/175254707.db2.gz NIVDNRXFTVKOQC-UHFFFAOYSA-N 2 0 257.422 1.600 10 0 CDAERP CNC(=O)CC[NH2+]C1[C@@H]2CCC[C@H]1C[N@H+](C(C)C)C2 ZINC000044990489 175286393 /nfs/dbraw/zinc/28/63/93/175286393.db2.gz PIYWFBZSEOGYRD-NNQSOWQGSA-N 2 0 267.417 1.221 10 0 CDAERP CC[NH+](CC)C[C@H](O)CNC[C@H](C)[NH+]1CCCCC1 ZINC000044992962 175286790 /nfs/dbraw/zinc/28/67/90/175286790.db2.gz LEGFJGVCWVRXHH-LSDHHAIUSA-N 2 0 271.449 1.153 10 0 CDAERP CN(CCC[NH3+])C(=O)CC[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000045069442 175300671 /nfs/dbraw/zinc/30/06/71/175300671.db2.gz ZQYCGGQFNRPOMC-HNNXBMFYSA-N 2 0 281.444 1.838 10 0 CDAERP CC(C)[C@H](CNC(=O)c1ccccc1CC[NH3+])[NH+](C)C ZINC000070552615 175981818 /nfs/dbraw/zinc/98/18/18/175981818.db2.gz PWPGSZKCHFFMBT-HNNXBMFYSA-N 2 0 277.412 1.504 10 0 CDAERP CN(C[C@@H](C[NH3+])c1ccccc1)C[C@H]1CC[N@H+](C)C1 ZINC000070940374 176013696 /nfs/dbraw/zinc/01/36/96/176013696.db2.gz QVZJUJWFLMTBQX-GOEBONIOSA-N 2 0 261.413 1.612 10 0 CDAERP CCC[NH+]1CCC(N2CC[C@H]([NH2+]C3CC3)C2=O)CC1 ZINC000071032025 176022864 /nfs/dbraw/zinc/02/28/64/176022864.db2.gz QRTHIMGTZIPGTL-AWEZNQCLSA-N 2 0 265.401 1.214 10 0 CDAERP CCC[NH+]1CCC(N2CCC[C@H]([NH2+]CC)C2=O)CC1 ZINC000071032033 176023252 /nfs/dbraw/zinc/02/32/52/176023252.db2.gz DTEUGLXJOCKDFI-AWEZNQCLSA-N 2 0 267.417 1.461 10 0 CDAERP CC(C)[NH2+][C@@H]1CCCN([C@H]2CC[N@@H+](C3CC3)C2)C1=O ZINC000071034056 176024414 /nfs/dbraw/zinc/02/44/14/176024414.db2.gz DNGDCVLFWQMQIH-UONOGXRCSA-N 2 0 265.401 1.212 10 0 CDAERP CC(C)[NH2+][C@H]1CCCN(CC2CC[NH+](C)CC2)C1=O ZINC000071035023 176024587 /nfs/dbraw/zinc/02/45/87/176024587.db2.gz QMQOXIDPKVWVFC-AWEZNQCLSA-N 2 0 267.417 1.317 10 0 CDAERP C[N@H+](CCN1CC[NH2+]CC1)C[C@@H]1OCCc2ccccc21 ZINC000071092205 176032089 /nfs/dbraw/zinc/03/20/89/176032089.db2.gz SWQNXRBLZAJFME-KRWDZBQOSA-N 2 0 289.423 1.137 10 0 CDAERP C[C@@H]1CCCC[C@@]1(C[NH3+])N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188588 176063285 /nfs/dbraw/zinc/06/32/85/176063285.db2.gz VPPRBFDFOHZQFJ-KFWWJZLASA-N 2 0 253.434 1.778 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)c1nc2ccccn2c1C[NH3+] ZINC000071189996 176065367 /nfs/dbraw/zinc/06/53/67/176065367.db2.gz WTCBOLBYFNPDQJ-GFCCVEGCSA-N 2 0 273.384 1.181 10 0 CDAERP C[NH2+]Cc1occc1CN(C)C[C@H]1CC[N@H+](C)C1 ZINC000071191891 176072105 /nfs/dbraw/zinc/07/21/05/176072105.db2.gz PZUWKLQTNSPFFH-LBPRGKRZSA-N 2 0 251.374 1.383 10 0 CDAERP CC(C)[NH2+][C@@H]1CCN([C@@H](C)C[NH+]2CCCCC2)C1 ZINC000071201496 176078100 /nfs/dbraw/zinc/07/81/00/176078100.db2.gz ZSWJXXPGXCBWBB-LSDHHAIUSA-N 2 0 253.434 1.933 10 0 CDAERP [NH3+]Cc1cc(F)ccc1C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000071263708 176096518 /nfs/dbraw/zinc/09/65/18/176096518.db2.gz MNCMUOPFEWQQJZ-INIZCTEOSA-N 2 0 293.386 1.191 10 0 CDAERP C[NH2+]CCCCCC[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000071290020 176110614 /nfs/dbraw/zinc/11/06/14/176110614.db2.gz IBFVMDAERAKGQK-HNNXBMFYSA-N 2 0 269.433 1.173 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)NCC[N@H+](C)C1CCCC1 ZINC000071378405 176142627 /nfs/dbraw/zinc/14/26/27/176142627.db2.gz NWQGPROARRDUEX-GFCCVEGCSA-N 2 0 255.406 1.365 10 0 CDAERP CC[C@H]1CC[C@@H](C[NH3+])[C@H](N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000071380455 176144731 /nfs/dbraw/zinc/14/47/31/176144731.db2.gz CLBMEKOCIZZHSH-HRCADAONSA-N 2 0 297.487 1.529 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000426407806 287390974 /nfs/dbraw/zinc/39/09/74/287390974.db2.gz WXYNQFPXMHCOCX-IIAWOOMASA-N 2 0 293.455 1.992 10 0 CDAERP [NH3+]CCCNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418102496 228044444 /nfs/dbraw/zinc/04/44/44/228044444.db2.gz HNDQRLGMVLCVCA-HNNXBMFYSA-N 2 0 290.411 1.157 10 0 CDAERP Cc1nc[nH]c1CC(=O)NC[C@H](C)C[NH2+]CC[C@H](C)F ZINC001666657410 1173168078 /nfs/dbraw/zinc/16/80/78/1173168078.db2.gz ZTHZFZFNMWQXNY-MNOVXSKESA-N 2 0 284.379 1.351 10 0 CDAERP CC[NH+]1CCN(c2ccc(-c3nc(CN)no3)cc2)CC1 ZINC000521873764 260222769 /nfs/dbraw/zinc/22/27/69/260222769.db2.gz NFILPZVWDOAUKA-UHFFFAOYSA-N 2 0 287.367 1.337 10 0 CDAERP CC(C)[N@H+](C)CC1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000091542339 260446443 /nfs/dbraw/zinc/44/64/43/260446443.db2.gz LMEJYNMBSUILDK-CABCVRRESA-N 2 0 281.444 1.693 10 0 CDAERP CO[C@H](C[NH+]1CCC(OCCC[NH3+])CC1)C1CCC1 ZINC000662248301 423792120 /nfs/dbraw/zinc/79/21/20/423792120.db2.gz YIUPGWUNFUTGBV-OAHLLOKOSA-N 2 0 270.417 1.631 10 0 CDAERP C[N@H+](Cc1ccccc1)[C@H]1CCN(C[C@@H]2C[NH2+]CCO2)C1 ZINC000662261701 423803233 /nfs/dbraw/zinc/80/32/33/423803233.db2.gz ABXOPSHYZUSOCT-IRXDYDNUSA-N 2 0 289.423 1.181 10 0 CDAERP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCCC1(C[NH3+])CC1 ZINC000652185744 423999306 /nfs/dbraw/zinc/99/93/06/423999306.db2.gz RSICGKJMTRDYLT-CYBMUJFWSA-N 2 0 296.459 1.535 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)NCCC2(C[NH3+])CC2)CC[N@@H+]1C ZINC000652241210 424125064 /nfs/dbraw/zinc/12/50/64/424125064.db2.gz ZTLIVYVWGDZEDN-CHWSQXEVSA-N 2 0 282.432 1.240 10 0 CDAERP CC(C)([NH3+])c1cc(C(=O)NC(C)(C)CCC[NH3+])on1 ZINC000662777409 424440629 /nfs/dbraw/zinc/44/06/29/424440629.db2.gz BOXSWVIYPJGCQK-UHFFFAOYSA-N 2 0 268.361 1.116 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000655489421 424507428 /nfs/dbraw/zinc/50/74/28/424507428.db2.gz REAWGONRDYDOKF-YUTCNCBUSA-N 2 0 261.369 1.143 10 0 CDAERP CN(CC(C)(C)[NH3+])C(=O)c1ccccc1OCC[NH+](C)C ZINC000662845485 424523845 /nfs/dbraw/zinc/52/38/45/424523845.db2.gz SSGMMXCOXZJRRF-UHFFFAOYSA-N 2 0 293.411 1.436 10 0 CDAERP C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000665366319 424556727 /nfs/dbraw/zinc/55/67/27/424556727.db2.gz WIWKSNBUYYKTIG-UONOGXRCSA-N 2 0 296.459 1.595 10 0 CDAERP O=C(NCCC1=CC[NH2+]CC1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334941938 424634795 /nfs/dbraw/zinc/63/47/95/424634795.db2.gz AOCAXTHUEOOXQQ-INIZCTEOSA-N 2 0 292.427 1.081 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@H](C)CC)CC1 ZINC000456542688 276261091 /nfs/dbraw/zinc/26/10/91/276261091.db2.gz DXNGTJVLBKZLJK-CABCVRRESA-N 2 0 281.444 1.804 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CC2CC[NH2+]CC2)[C@H](C)C1 ZINC000178981844 276394112 /nfs/dbraw/zinc/39/41/12/276394112.db2.gz NKFNKIOIEWQVHY-UKRRQHHQSA-N 3 0 253.434 1.648 10 0 CDAERP CC(C)(C)[NH+]1CCC(N[C@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000422987774 277152137 /nfs/dbraw/zinc/15/21/37/277152137.db2.gz JCHRDFMPKAGDCW-HZPDHXFCSA-N 2 0 295.471 1.606 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]CCCF ZINC001668320703 1173395244 /nfs/dbraw/zinc/39/52/44/1173395244.db2.gz SOUCLTWMTDMEDD-ZIAGYGMSSA-N 2 0 287.423 1.705 10 0 CDAERP C[C@H](C[NH2+][C@@H](C1CC1)[C@@H]1CNCCO1)C[NH+]1CCCCC1 ZINC000422717813 278208924 /nfs/dbraw/zinc/20/89/24/278208924.db2.gz WIAIMHAAQNWAOX-PVAVHDDUSA-N 2 0 295.471 1.465 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C1CCN(C(N)=O)CC1 ZINC000343422732 278332125 /nfs/dbraw/zinc/33/21/25/278332125.db2.gz QGKBLAWYYPJMJR-AWEZNQCLSA-N 2 0 296.459 1.774 10 0 CDAERP C[C@@H]([NH2+][C@@H]1COc2ccc(F)cc2C1)C1C[NH2+]C1 ZINC000335221317 278377229 /nfs/dbraw/zinc/37/72/29/278377229.db2.gz DTHDDSONSUANND-RNCFNFMXSA-N 2 0 250.317 1.327 10 0 CDAERP CC(C)([NH3+])CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000335286455 278628179 /nfs/dbraw/zinc/62/81/79/278628179.db2.gz TXSPFGKXIFKAGM-ZDUSSCGKSA-N 2 0 282.432 1.384 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[C@H]2[NH3+])CC1 ZINC000085369467 279092030 /nfs/dbraw/zinc/09/20/30/279092030.db2.gz PSEYKRZEVRUBJH-LSDHHAIUSA-N 2 0 281.444 1.694 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000414749613 279180142 /nfs/dbraw/zinc/18/01/42/279180142.db2.gz WKESXTLECKDOBK-YESZJQIVSA-N 2 0 296.503 1.318 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000417590751 279271025 /nfs/dbraw/zinc/27/10/25/279271025.db2.gz WKYVCHDJAJMMQG-RRFJBIMHSA-N 2 0 294.443 1.254 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@@H]1CCC[NH+]1C ZINC000357971754 279380003 /nfs/dbraw/zinc/38/00/03/279380003.db2.gz HYLZDWLMUGKSIV-STQMWFEESA-N 2 0 270.421 1.109 10 0 CDAERP CC(C)[NH2+]CCN1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000191472835 279606917 /nfs/dbraw/zinc/60/69/17/279606917.db2.gz FOLFGBHDNXZMLH-HZPDHXFCSA-N 2 0 297.487 1.806 10 0 CDAERP CC(C)[C@@](C)(O)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000187005627 280116930 /nfs/dbraw/zinc/11/69/30/280116930.db2.gz KRKGMVVRWKECKN-IRXDYDNUSA-N 2 0 297.487 1.495 10 0 CDAERP COc1cccc([C@H](C)[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000261605697 280534130 /nfs/dbraw/zinc/53/41/30/280534130.db2.gz CVERCHNCYHYRFO-GOEBONIOSA-N 2 0 289.423 1.736 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1CNC(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000334927058 280994606 /nfs/dbraw/zinc/99/46/06/280994606.db2.gz DXIJICGAPHTGRG-QWHCGFSZSA-N 2 0 296.459 1.533 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+]C2CCC(C[NH3+])CC2)[C@H]1n1cccn1 ZINC000517356272 281000131 /nfs/dbraw/zinc/00/01/31/281000131.db2.gz WLUQQAKIHKLFIP-UIEKQHFFSA-N 2 0 292.427 1.709 10 0 CDAERP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000522010317 281083213 /nfs/dbraw/zinc/08/32/13/281083213.db2.gz OJHBXLJBVOFORZ-ATWGWHJKSA-N 2 0 253.390 1.090 10 0 CDAERP CC[C@H]1CN(CC[C@@H]2CCC[N@@H+]2C)CC[NH+]1CCOC ZINC000161677743 281169046 /nfs/dbraw/zinc/16/90/46/281169046.db2.gz ZHVXVRBRKLWLMP-HOTGVXAUSA-N 2 0 283.460 1.513 10 0 CDAERP CC1(C)NC(=O)CC[C@H]1[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000335488203 281390537 /nfs/dbraw/zinc/39/05/37/281390537.db2.gz OYJRFRHXKWUHOQ-RISCZKNCSA-N 2 0 253.390 1.023 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000418584410 288323858 /nfs/dbraw/zinc/32/38/58/288323858.db2.gz CADYKNJPBWUCQI-RBSFLKMASA-N 2 0 296.459 1.500 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000234240542 282050108 /nfs/dbraw/zinc/05/01/08/282050108.db2.gz YBTVRDOJGHVNQX-CYBMUJFWSA-N 2 0 267.417 1.317 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CCCCC1 ZINC000358642033 289083984 /nfs/dbraw/zinc/08/39/84/289083984.db2.gz XWEYOCHNQPHTQN-CQSZACIVSA-N 2 0 293.455 1.851 10 0 CDAERP CCC[NH+]1CCC([NH2+]C2CCC(NC(C)=O)CC2)CC1 ZINC000155190809 289230944 /nfs/dbraw/zinc/23/09/44/289230944.db2.gz USVDITABLHNPKI-UHFFFAOYSA-N 2 0 281.444 1.898 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCC2(O)CCOCC2)[C@@H]2CCC[C@H]21 ZINC000367698829 290217342 /nfs/dbraw/zinc/21/73/42/290217342.db2.gz QPNHJBOJWHOOOY-SOUVJXGZSA-N 2 0 282.428 1.380 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000557213461 290336745 /nfs/dbraw/zinc/33/67/45/290336745.db2.gz ZCDXYSOWZHIYJW-HZSPNIEDSA-N 2 0 282.432 1.016 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000422853777 290389001 /nfs/dbraw/zinc/38/90/01/290389001.db2.gz CGQLSMFRUCITAQ-QLFBSQMISA-N 2 0 253.434 1.839 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CN2CC(C)(C)C2)C1 ZINC000561155395 293056137 /nfs/dbraw/zinc/05/61/37/293056137.db2.gz KFXJSACZCNWRHQ-GASCZTMLSA-N 2 0 295.471 1.812 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](C)N1CCC[C@@H](C)C1 ZINC000422859772 293096048 /nfs/dbraw/zinc/09/60/48/293096048.db2.gz KJIFDUCMNBTABE-KFWWJZLASA-N 2 0 271.449 1.450 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000422829871 293098233 /nfs/dbraw/zinc/09/82/33/293098233.db2.gz CECUDDVKQRDBRS-IHRRRGAJSA-N 3 0 257.422 1.203 10 0 CDAERP C[C@H](CNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)[N@H+](C)C1CC1 ZINC000564551416 293370145 /nfs/dbraw/zinc/37/01/45/293370145.db2.gz XWFGAQKCRFNMPJ-CZUORRHYSA-N 2 0 294.443 1.254 10 0 CDAERP C[C@@H](CNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)[N@H+](C)C1CC1 ZINC000564551417 293370260 /nfs/dbraw/zinc/37/02/60/293370260.db2.gz XWFGAQKCRFNMPJ-XJKSGUPXSA-N 2 0 294.443 1.254 10 0 CDAERP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000565479295 293619581 /nfs/dbraw/zinc/61/95/81/293619581.db2.gz TXSRNQRNOGGIIV-ZIAGYGMSSA-N 2 0 296.459 1.630 10 0 CDAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000568392204 294027118 /nfs/dbraw/zinc/02/71/18/294027118.db2.gz LEONUFUZSKPTCT-WFASDCNBSA-N 2 0 275.396 1.476 10 0 CDAERP CCO[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1n1cccn1 ZINC000568748543 294092809 /nfs/dbraw/zinc/09/28/09/294092809.db2.gz CZMGLJGGQJEQIB-MDJNNDMFSA-N 2 0 290.411 1.474 10 0 CDAERP C[C@H]1C[C@@H](N(C)C(=O)CCCC[NH+](C)C)CC[N@@H+]1C ZINC000568820978 294104716 /nfs/dbraw/zinc/10/47/16/294104716.db2.gz VSEJDZUMJZNAJH-KBPBESRZSA-N 2 0 269.433 1.659 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CCCF ZINC001668822322 1173470331 /nfs/dbraw/zinc/47/03/31/1173470331.db2.gz WTNXCUDLZAKCPX-VQTKUKTRSA-N 2 0 285.407 1.481 10 0 CDAERP CCOC[C@H](O)C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000570444092 294239351 /nfs/dbraw/zinc/23/93/51/294239351.db2.gz AYIONDCVSBKVSH-CQSZACIVSA-N 2 0 284.375 1.374 10 0 CDAERP COCC[NH2+]C1CC[NH+](C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000570848337 294322781 /nfs/dbraw/zinc/32/27/81/294322781.db2.gz IALYUYWVYIIQOQ-ZIAGYGMSSA-N 3 0 269.433 1.075 10 0 CDAERP COc1ccc([C@@H](NCC2C[NH2+]C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423339230 295215912 /nfs/dbraw/zinc/21/59/12/295215912.db2.gz ZJUPBYSLNFCRSU-JKSUJKDBSA-N 2 0 275.396 1.297 10 0 CDAERP [NH3+]CCN(CCc1ccccc1)C[C@@H]1CCC[NH2+]C1 ZINC000261672487 295232866 /nfs/dbraw/zinc/23/28/66/295232866.db2.gz CEGNSQDFKMPOOB-MRXNPFEDSA-N 2 0 261.413 1.489 10 0 CDAERP [NH3+][C@@H]1CCC[C@H](C(=O)N2CCC[N@@H+](C3CC3)CC2)C1 ZINC000178747297 295310460 /nfs/dbraw/zinc/31/04/60/295310460.db2.gz AOVAYJBFLVIXPO-QWHCGFSZSA-N 2 0 265.401 1.201 10 0 CDAERP O=C1CCCN1CC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420346193 304626400 /nfs/dbraw/zinc/62/64/00/304626400.db2.gz XPMMBXWRECMJRI-AWEZNQCLSA-N 2 0 265.401 1.073 10 0 CDAERP c1cncc([C@@H]2C[NH2+]CCN2C[C@H]2CCC[NH2+]C2)c1 ZINC000261683782 304860804 /nfs/dbraw/zinc/86/08/04/304860804.db2.gz IPEUCLBEHDBFKN-ZFWWWQNUSA-N 2 0 260.385 1.028 10 0 CDAERP CNC(=O)CCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000570173838 316926213 /nfs/dbraw/zinc/92/62/13/316926213.db2.gz QBSPFSXXKZIHKF-UHFFFAOYSA-N 2 0 267.417 1.320 10 0 CDAERP CC(C)S(=O)(=O)CCCN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000576288700 317111710 /nfs/dbraw/zinc/11/17/10/317111710.db2.gz ADAJFRRKRYHVKU-NWDGAFQWSA-N 2 0 262.419 1.011 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCC[NH2+]C1)[N@@H+]1CCC[C@H](C)C1 ZINC000576342783 317121210 /nfs/dbraw/zinc/12/12/10/317121210.db2.gz XNGGXGZWTJYNIT-BFHYXJOUSA-N 2 0 267.417 1.223 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCc1ccc2c(c1)OCO2 ZINC000576507209 317150814 /nfs/dbraw/zinc/15/08/14/317150814.db2.gz QMVSTEOCYRPRFW-ZDUSSCGKSA-N 2 0 280.368 1.301 10 0 CDAERP CCCCC[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001673486668 1173859264 /nfs/dbraw/zinc/85/92/64/1173859264.db2.gz MPIVZVVARQDBFD-OAHLLOKOSA-N 2 0 283.460 1.909 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000185208439 323385882 /nfs/dbraw/zinc/38/58/82/323385882.db2.gz QOVKYEQGGCTVQV-UHFFFAOYSA-N 2 0 298.475 1.889 10 0 CDAERP C[C@H](CNC(=O)N(C)CCC[NH+](C)C)C[NH+]1CCCC1 ZINC000185550318 323391821 /nfs/dbraw/zinc/39/18/21/323391821.db2.gz LMUKBFSGTLXBHW-CQSZACIVSA-N 2 0 284.448 1.311 10 0 CDAERP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000578618658 323977827 /nfs/dbraw/zinc/97/78/27/323977827.db2.gz LEMZEXUTKXXGMX-UXLLHSPISA-N 2 0 293.455 1.886 10 0 CDAERP CC1(C)NC(=O)CC[C@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000579123146 324112926 /nfs/dbraw/zinc/11/29/26/324112926.db2.gz NDMUHLYBMJALSF-CYBMUJFWSA-N 2 0 261.369 1.292 10 0 CDAERP C[NH2+][C@@H]1CCCN(C(=O)c2ccccc2CC[NH3+])C1 ZINC000580088069 324365940 /nfs/dbraw/zinc/36/59/40/324365940.db2.gz PSJRRKWJDIXXAA-CYBMUJFWSA-N 2 0 261.369 1.012 10 0 CDAERP CC(C)c1noc(CCC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000580096002 324372089 /nfs/dbraw/zinc/37/20/89/324372089.db2.gz OYYMTOPZAAPVKL-NWDGAFQWSA-N 2 0 266.389 1.985 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000584166993 327054712 /nfs/dbraw/zinc/05/47/12/327054712.db2.gz ZVLQLKMJZUGVKZ-QLFBSQMISA-N 2 0 253.434 1.839 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000584238845 327093042 /nfs/dbraw/zinc/09/30/42/327093042.db2.gz BVUWIHXGCOCMEL-ZDUSSCGKSA-N 2 0 275.396 1.389 10 0 CDAERP O=C(NCCC[NH+]1CCCC1)[C@@H]1CC[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000250846511 1159308967 /nfs/dbraw/zinc/30/89/67/1159308967.db2.gz NEWVNFJBOWZJSK-XHSDSOJGSA-N 2 0 293.455 1.899 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+]CC1CC2(CCC2)C1 ZINC001481320357 1159656749 /nfs/dbraw/zinc/65/67/49/1159656749.db2.gz YXHJXXAKPLTSJZ-UHFFFAOYSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001732691397 1160193919 /nfs/dbraw/zinc/19/39/19/1160193919.db2.gz YVPWMYOTHQINOL-LSDHHAIUSA-N 2 0 283.460 2.000 10 0 CDAERP CC(C)[C@H]1CCN1C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000665760211 482444805 /nfs/dbraw/zinc/44/48/05/482444805.db2.gz CFHDKIOKNQYSQX-LSDHHAIUSA-N 2 0 298.475 1.698 10 0 CDAERP C[C@H](CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCC[NH2+]C1 ZINC000246882613 482236235 /nfs/dbraw/zinc/23/62/35/482236235.db2.gz IFYNGSUGQOCDAR-NLXYCFSDSA-N 2 0 279.428 1.411 10 0 CDAERP [NH3+]C1(CC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC000398065368 482242001 /nfs/dbraw/zinc/24/20/01/482242001.db2.gz HLBXZRPRPKPFPH-UHFFFAOYSA-N 2 0 287.407 1.602 10 0 CDAERP COC[C@@H](C)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668785783 482313642 /nfs/dbraw/zinc/31/36/42/482313642.db2.gz XGODRHGBKVSYNC-UONOGXRCSA-N 2 0 258.406 1.312 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)C1CCC([NH3+])CC1 ZINC000226396573 482432818 /nfs/dbraw/zinc/43/28/18/482432818.db2.gz CHDFNVZNZMLMCG-HIFPTAJRSA-N 2 0 255.406 1.350 10 0 CDAERP CC(C)C[C@@H]([NH3+])C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000669512536 482527135 /nfs/dbraw/zinc/52/71/35/482527135.db2.gz WJUOQCHXLBJWHB-SMDDNHRTSA-N 2 0 263.385 1.696 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2(O)CCCC2)[C@@H]2CCC[C@@H]21 ZINC000671747474 482543557 /nfs/dbraw/zinc/54/35/57/482543557.db2.gz ZUHROXDNTXRLFY-IHRRRGAJSA-N 2 0 252.402 1.754 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000669520189 482553030 /nfs/dbraw/zinc/55/30/30/482553030.db2.gz WDJJTAIQXQKAMS-CHWSQXEVSA-N 2 0 275.396 1.160 10 0 CDAERP CCO[C@H]1C[C@H]([NH2+]CC2([NH3+])CCOCC2)C1(C)C ZINC000233764006 482567843 /nfs/dbraw/zinc/56/78/43/482567843.db2.gz MRGIOHJMTWATOJ-RYUDHWBXSA-N 2 0 256.390 1.288 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000417282982 482578680 /nfs/dbraw/zinc/57/86/80/482578680.db2.gz BWXYHTXMQTZSTA-MNOVXSKESA-N 2 0 292.374 1.013 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000417301902 482581160 /nfs/dbraw/zinc/58/11/60/482581160.db2.gz QFEKBCYTDXZILS-ZIAGYGMSSA-N 2 0 284.448 1.406 10 0 CDAERP COC1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CCOCC1 ZINC000671754060 482660298 /nfs/dbraw/zinc/66/02/98/482660298.db2.gz QRGCBACOOXLPFN-RRFJBIMHSA-N 2 0 282.428 1.644 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)NC/C=C\C[NH3+])c1ccsc1 ZINC000669300976 482674986 /nfs/dbraw/zinc/67/49/86/482674986.db2.gz LRLXRAFGNDJEOI-VSQXVHSFSA-N 2 0 282.413 1.165 10 0 CDAERP C[C@]([NH3+])(C(=O)N1CC[C@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000334342137 482718721 /nfs/dbraw/zinc/71/87/21/482718721.db2.gz KEQXNLWHTHRTPK-IAGOWNOFSA-N 2 0 287.407 1.463 10 0 CDAERP CO[C@@H]1CCC[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC000684380421 482782948 /nfs/dbraw/zinc/78/29/48/482782948.db2.gz MYNFTFOXDADXTK-OWCLPIDISA-N 2 0 284.444 1.771 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000656202085 482789725 /nfs/dbraw/zinc/78/97/25/482789725.db2.gz XZTSVMMSOBLOLA-ZNMIVQPWSA-N 2 0 269.433 1.347 10 0 CDAERP C(NC[C@@H]1CC[NH2+]C1)c1nc2c(s1)CCCC2 ZINC000666845558 482947539 /nfs/dbraw/zinc/94/75/39/482947539.db2.gz OYIXBPQOBRPZIC-SNVBAGLBSA-N 2 0 251.399 1.721 10 0 CDAERP Cc1c(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cnn1C ZINC000250883842 483029334 /nfs/dbraw/zinc/02/93/34/483029334.db2.gz DHXPMMWDAOVYSU-DZGCQCFKSA-N 2 0 262.401 1.693 10 0 CDAERP C[NH+](C)CCOc1ccc(NC(=O)C[C@H]2CC[NH2+]C2)cc1 ZINC000089743494 483128735 /nfs/dbraw/zinc/12/87/35/483128735.db2.gz SSPVRCSNEJDJBZ-CYBMUJFWSA-N 2 0 291.395 1.565 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@](O)(C[NH+](C)C)C1)[NH+](CC)CC ZINC000684174924 483229689 /nfs/dbraw/zinc/22/96/89/483229689.db2.gz NYTJEEXSYQGNFO-ZBFHGGJFSA-N 2 0 299.459 1.022 10 0 CDAERP CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@@H](C)[NH+](CC)CC ZINC000675178592 483241503 /nfs/dbraw/zinc/24/15/03/483241503.db2.gz WXDVLNZBEAGXAI-HUUCEWRRSA-N 2 0 298.475 1.890 10 0 CDAERP NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cnc2n1CCC2 ZINC000667561329 483331728 /nfs/dbraw/zinc/33/17/28/483331728.db2.gz SMMPWQJQSMKSLH-NSHDSACASA-N 2 0 262.357 1.059 10 0 CDAERP CN(CCC(=O)N1CCC([NH+](C)C)CC1)c1cc[nH+]cc1 ZINC000679405504 483359973 /nfs/dbraw/zinc/35/99/73/483359973.db2.gz AFBFLWDNDLSSNE-UHFFFAOYSA-N 2 0 290.411 1.461 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)NCc1ccccc1C[NH+](C)C ZINC000136435625 483403120 /nfs/dbraw/zinc/40/31/20/483403120.db2.gz CEGXKVPGFZVVKA-OAHLLOKOSA-N 2 0 277.412 1.738 10 0 CDAERP COCCC[NH+]1CCC([NH2+][C@@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667827017 483451410 /nfs/dbraw/zinc/45/14/10/483451410.db2.gz LSOUUYKCBSZXRT-HOTGVXAUSA-N 2 0 282.428 1.644 10 0 CDAERP C[C@@H]1C[C@H]([NH2+][C@@H]2CO[C@@H](C3CC3)C2)CN1C1CC1 ZINC000667905258 483475400 /nfs/dbraw/zinc/47/54/00/483475400.db2.gz MAQPAEOZONKALG-GVUJHPQVSA-N 2 0 250.386 1.769 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+][C@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667929128 483482905 /nfs/dbraw/zinc/48/29/05/483482905.db2.gz SMHCJTCJDQHEJU-CVEARBPZSA-N 2 0 281.444 1.171 10 0 CDAERP C[N@H+](CCCn1ccnc1)Cc1ccnn1-c1cc[nH+]cc1 ZINC000668167932 483593869 /nfs/dbraw/zinc/59/38/69/483593869.db2.gz IDZKAHAOPCWJSC-UHFFFAOYSA-N 2 0 296.378 1.986 10 0 CDAERP C[C@@H](C[NH2+]CCCCCF)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001483228122 1160814622 /nfs/dbraw/zinc/81/46/22/1160814622.db2.gz IYURHWVUYDYFRC-BFHYXJOUSA-N 2 0 287.423 1.561 10 0 CDAERP CCC[NH2+]CCCCC[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000062973942 519911752 /nfs/dbraw/zinc/91/17/52/519911752.db2.gz NOWAHUOUVWIMQV-MRXNPFEDSA-N 2 0 283.460 1.563 10 0 CDAERP CCC[NH2+][C@@H](CN1CC[C@H]([NH+]2CCCC2)C1)C1CC1 ZINC000069075452 520009446 /nfs/dbraw/zinc/00/94/46/520009446.db2.gz VAHMQVKOIXMLLL-HOTGVXAUSA-N 2 0 265.445 1.935 10 0 CDAERP CCC[NH2+][C@](C)(CCN1CC[NH+]([C@H](C)CC)CC1)C(N)=O ZINC000055070591 520104568 /nfs/dbraw/zinc/10/45/68/520104568.db2.gz OKZPEYSCMDPKLC-GDBMZVCRSA-N 2 0 298.475 1.036 10 0 CDAERP CC(C)C[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001485349610 1161276274 /nfs/dbraw/zinc/27/62/74/1161276274.db2.gz IDPIIWWTBASYLB-KBPBESRZSA-N 2 0 269.433 1.421 10 0 CDAERP CCC[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001713149893 1178396504 /nfs/dbraw/zinc/39/65/04/1178396504.db2.gz ZYQGOAPYNSPLRG-KBPBESRZSA-N 2 0 269.433 1.707 10 0 CDAERP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+]C/C=C\Cl ZINC001713416228 1178549255 /nfs/dbraw/zinc/54/92/55/1178549255.db2.gz QVOCTPIYKDCLES-MEQVVJDKSA-N 2 0 261.797 1.175 10 0 CDAERP CC[NH+]1CCN([C@@H](C[NH3+])c2ccc(F)c(C)c2)CC1 ZINC000050545871 521691877 /nfs/dbraw/zinc/69/18/77/521691877.db2.gz BMCIPVSCJZEKRX-HNNXBMFYSA-N 2 0 265.376 1.771 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]1CC[N@@H+]1C(C)C)[NH+](CC)CC ZINC001723458648 1181567270 /nfs/dbraw/zinc/56/72/70/1181567270.db2.gz SNNUXBAFKRTUIA-UONOGXRCSA-N 2 0 269.433 1.706 10 0 CDAERP C[NH2+][C@@H]1CCC[C@H]1CN1CC[NH+](CC(C)C)CC1 ZINC000055081975 522388424 /nfs/dbraw/zinc/38/84/24/522388424.db2.gz WPMHAAXCOXIUMG-LSDHHAIUSA-N 2 0 253.434 1.648 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CCC[NH2+]CCCF)C1 ZINC001733127029 1183301053 /nfs/dbraw/zinc/30/10/53/1183301053.db2.gz WROSYSDIHHRJGY-CYBMUJFWSA-N 2 0 273.396 1.126 10 0 CDAERP CCCCC[NH2+][C@H](C)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001734351782 1183744212 /nfs/dbraw/zinc/74/42/12/1183744212.db2.gz UAULXVXUHGSNMO-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000417931119 534094203 /nfs/dbraw/zinc/09/42/03/534094203.db2.gz LAAUJXJZRXYQRE-XSCHDIRWSA-N 2 0 296.459 1.404 10 0 CDAERP Brc1cnn(CCC[NH2+]C2CC[NH2+]CC2)c1 ZINC000309402216 518234483 /nfs/dbraw/zinc/23/44/83/518234483.db2.gz HNEFQQOYPXAJIX-UHFFFAOYSA-N 2 0 287.205 1.377 10 0 CDAERP CC(C)[NH2+]C[C@H]1CC[C@@H](CN2CC[NH+](C(C)(C)C)CC2)O1 ZINC000052571700 519725654 /nfs/dbraw/zinc/72/56/54/519725654.db2.gz HUMZZTNLMACFHE-CVEARBPZSA-N 2 0 297.487 1.948 10 0 CDAERP CC(C)C[NH+]1CCN(c2ncccc2C(N)=[NH2+])CC1 ZINC000055079649 519729098 /nfs/dbraw/zinc/72/90/98/519729098.db2.gz PEBAGVAICFMQSK-UHFFFAOYSA-N 2 0 261.373 1.144 10 0 CDAERP CC(C)C[NH+]1CCN(c2cnc(C(C)C)nc2C[NH3+])CC1 ZINC000055082627 519729102 /nfs/dbraw/zinc/72/91/02/519729102.db2.gz JFMLPHWCLUQMHN-UHFFFAOYSA-N 2 0 291.443 1.837 10 0 CDAERP CC(C)C[NH2+]CC1(C[N@@H+]2CC[C@@H](O)C2)CCCC1 ZINC000061711824 519742776 /nfs/dbraw/zinc/74/27/76/519742776.db2.gz FHVOLSMRDAUDKN-CQSZACIVSA-N 2 0 254.418 1.859 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CC[C@@H](CN(C)CC[NH+]2CCCC2)O1 ZINC000063054045 519746084 /nfs/dbraw/zinc/74/60/84/519746084.db2.gz KXZRJMFHELWAHU-SJORKVTESA-N 2 0 297.487 1.807 10 0 CDAERP CC(C)OCC[NH+]1CCN(c2cc[nH+]cc2N)CC1 ZINC000049259877 519766390 /nfs/dbraw/zinc/76/63/90/519766390.db2.gz ZSKDGNROKPYGSD-UHFFFAOYSA-N 2 0 264.373 1.211 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)C2([NH3+])CCCCC2)CC1 ZINC000236769851 519842174 /nfs/dbraw/zinc/84/21/74/519842174.db2.gz WYPLHXCSFMALQI-UHFFFAOYSA-N 2 0 281.444 1.886 10 0 CDAERP CCC[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000055124603 519856641 /nfs/dbraw/zinc/85/66/41/519856641.db2.gz ZKUTYSVGRWYETF-BFHYXJOUSA-N 2 0 267.417 1.304 10 0 CDAERP CCOCCC[NH2+]CCN1CC[C@H]([NH+](CC)CC)C1 ZINC000062974366 519896631 /nfs/dbraw/zinc/89/66/31/519896631.db2.gz CUHNTGDKSXBEQA-HNNXBMFYSA-N 2 0 271.449 1.419 10 0 CDAERP CCC[NH2+]C[C@@]1(CN2CC[NH+]([C@H](C)CC)CC2)CCOC1 ZINC000055071786 519929912 /nfs/dbraw/zinc/92/99/12/519929912.db2.gz YHOIUBKNEUSENY-IAGOWNOFSA-N 2 0 297.487 1.809 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@H](C[NH+]2CCSCC2)O1 ZINC000052443281 519939397 /nfs/dbraw/zinc/93/93/97/519939397.db2.gz LBWBPMMWFWFRET-CHWSQXEVSA-N 2 0 258.431 1.582 10 0 CDAERP CCC[NH2+]Cc1cc(COCCC[NH+](C)C)on1 ZINC000052672436 519943851 /nfs/dbraw/zinc/94/38/51/519943851.db2.gz RMWLYCHTDBRXIF-UHFFFAOYSA-N 2 0 255.362 1.643 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@H](C[NH+]2CCC(OCC)CC2)O1 ZINC000052484079 519955856 /nfs/dbraw/zinc/95/58/56/519955856.db2.gz JJCRQXWTWMJFNM-LSDHHAIUSA-N 2 0 270.417 1.644 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000061272726 520061709 /nfs/dbraw/zinc/06/17/09/520061709.db2.gz NEPBEBXAXZHLFR-KBPBESRZSA-N 2 0 267.417 1.461 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000061273560 520063739 /nfs/dbraw/zinc/06/37/39/520063739.db2.gz WSKJUUZZGUVBFS-ZDUSSCGKSA-N 2 0 269.433 1.755 10 0 CDAERP CCC[NH2+][C@H]1CCCC[C@H]1N1CCN(CC[NH+](C)C)CC1 ZINC000061644053 520093166 /nfs/dbraw/zinc/09/31/66/520093166.db2.gz LBWAPQQALVMBCH-DLBZAZTESA-N 2 0 296.503 1.476 10 0 CDAERP CC[NH2+][C@@](C)(CCCN1CC[C@H]([NH+](CC)CC)C1)C(N)=O ZINC000062969031 520132650 /nfs/dbraw/zinc/13/26/50/520132650.db2.gz YNEYNOWFEMMVGJ-HOCLYGCPSA-N 2 0 298.475 1.036 10 0 CDAERP CCOC[C@H](O)C[NH+]1CCC(C[NH2+]CC(C)C)CC1 ZINC000069280309 520153906 /nfs/dbraw/zinc/15/39/06/520153906.db2.gz NMDCDEBRXWUNMN-OAHLLOKOSA-N 2 0 272.433 1.341 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000061271092 520166232 /nfs/dbraw/zinc/16/62/32/520166232.db2.gz CRLVDERSNNWCKT-GFCCVEGCSA-N 2 0 255.406 1.364 10 0 CDAERP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N1CCN(CC[NH+](C)C)CC1 ZINC000061644017 520218189 /nfs/dbraw/zinc/21/81/89/520218189.db2.gz TUIWYNUUKADSGK-IKGGRYGDSA-N 2 0 296.503 1.332 10 0 CDAERP CC[NH2+][C@](C)(CO)C[C@H](C)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000070336392 520231283 /nfs/dbraw/zinc/23/12/83/520231283.db2.gz XNNNJVTZADPRJS-JYJNAYRXSA-N 2 0 283.460 1.296 10 0 CDAERP CC[NH+](CC)CCOCCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000052671868 520694391 /nfs/dbraw/zinc/69/43/91/520694391.db2.gz NITFJSXPDVCSBL-UHFFFAOYSA-N 2 0 297.447 1.525 10 0 CDAERP CC[NH+](CC)CCc1noc(C[NH2+]CC(C)C)n1 ZINC000062743499 520713637 /nfs/dbraw/zinc/71/36/37/520713637.db2.gz AFTDQZRTGWOYCY-UHFFFAOYSA-N 2 0 254.378 1.700 10 0 CDAERP CCC[C@@H]([NH3+])C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000236902809 520714611 /nfs/dbraw/zinc/71/46/11/520714611.db2.gz RJMQZBPZPAJJAO-CQSZACIVSA-N 2 0 269.433 1.694 10 0 CDAERP CCC[C@]1(C(=O)N[C@H](C)CC[NH+](C)C)CC[NH2+]C1 ZINC000062901844 521299929 /nfs/dbraw/zinc/29/99/29/521299929.db2.gz JSEIBYGXGIYNOD-OCCSQVGLSA-N 2 0 255.406 1.223 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@H]1C[C@@H]([NH3+])CC[C@@H]1C ZINC000055139768 521655162 /nfs/dbraw/zinc/65/51/62/521655162.db2.gz DYXBWCFINAHVDJ-IHRRRGAJSA-N 2 0 269.433 1.550 10 0 CDAERP C[NH+](C)CCN1CC[NH+]([C@@H]2CNc3ccccc3C2)CC1 ZINC000061644755 521768601 /nfs/dbraw/zinc/76/86/01/521768601.db2.gz WBDFQDJTPWCLRA-INIZCTEOSA-N 2 0 288.439 1.202 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1CC[NH2+]Cc1cccnc1 ZINC000061655200 521836829 /nfs/dbraw/zinc/83/68/29/521836829.db2.gz GRFDAOQDMZXSGH-HNNXBMFYSA-N 2 0 262.401 1.197 10 0 CDAERP C[NH2+]C[C@@H]1CC[C@@H](CN2CC[NH+](C(C)(C)C)CC2)O1 ZINC000052571687 522059774 /nfs/dbraw/zinc/05/97/74/522059774.db2.gz USLYMHNXRBNQSI-KBPBESRZSA-N 2 0 269.433 1.170 10 0 CDAERP CC[C@@H](C)[NH+]1CCN([C@@H](C)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000055074955 522129115 /nfs/dbraw/zinc/12/91/15/522129115.db2.gz OUSHGDBBEZGCOK-PMPSAXMXSA-N 2 0 283.460 1.560 10 0 CDAERP C[NH2+]Cc1ccoc1CN1CCC([NH+](C)C)CC1 ZINC000052477611 522140261 /nfs/dbraw/zinc/14/02/61/522140261.db2.gz GKVPTDBWWTYIMH-UHFFFAOYSA-N 2 0 251.374 1.525 10 0 CDAERP CN(C1CC[NH+](C)CC1)[C@@H]1COc2ccccc2[C@@H]1[NH3+] ZINC000054622272 522414845 /nfs/dbraw/zinc/41/48/45/522414845.db2.gz YQSMPGAGEBKJPR-ZBFHGGJFSA-N 2 0 275.396 1.473 10 0 CDAERP CC[C@@H](CC[NH3+])N1CCC[N@H+](CCCCCO)CC1 ZINC000051020304 522498034 /nfs/dbraw/zinc/49/80/34/522498034.db2.gz JVFJSAHYNQBFPW-HNNXBMFYSA-N 2 0 271.449 1.284 10 0 CDAERP COCCC[N@H+](CCOC)Cc1cc(C[NH3+])co1 ZINC000052543268 523255220 /nfs/dbraw/zinc/25/52/20/523255220.db2.gz GUNMRWUANWZNBL-UHFFFAOYSA-N 2 0 256.346 1.223 10 0 CDAERP COCC[N@H+](C)CCOc1ccccc1C[NH2+]C1CC1 ZINC000052572847 523617044 /nfs/dbraw/zinc/61/70/44/523617044.db2.gz QACWJIPHJAZATI-UHFFFAOYSA-N 2 0 278.396 1.896 10 0 CDAERP COCC[N@H+](C)CCn1c(N)[nH+]c2cc(C)ccc21 ZINC000061379988 523618285 /nfs/dbraw/zinc/61/82/85/523618285.db2.gz ALDBCYGIQJAYQY-UHFFFAOYSA-N 2 0 262.357 1.505 10 0 CDAERP COCC[NH+](CCC[C@@H]1CCCC[NH2+]1)CCOC ZINC000050953142 523696291 /nfs/dbraw/zinc/69/62/91/523696291.db2.gz ILOTYXUMZWPBSZ-AWEZNQCLSA-N 2 0 258.406 1.504 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)[C@@H]([NH3+])CCSC)CC1 ZINC000055077687 523949045 /nfs/dbraw/zinc/94/90/45/523949045.db2.gz VBDFUEZTTNCJBH-RYUDHWBXSA-N 2 0 273.446 1.010 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)[C@H](C[NH3+])C(C)C)CC1 ZINC000055071302 523949571 /nfs/dbraw/zinc/94/95/71/523949571.db2.gz XEUMOUFPJSAJAD-QWHCGFSZSA-N 2 0 255.406 1.160 10 0 CDAERP C[NH+](C)CC1CC[NH+](Cc2cc(C[NH3+])co2)CC1 ZINC000052515366 524049978 /nfs/dbraw/zinc/04/99/78/524049978.db2.gz MKUDYFTXZYYZKQ-UHFFFAOYSA-N 3 0 251.374 1.512 10 0 CDAERP C[NH+](C)CCCOC[C@H]1CC[C@H](C[NH2+]C(C)(C)C)O1 ZINC000052672656 524058351 /nfs/dbraw/zinc/05/83/51/524058351.db2.gz UIVRZQJJXKWYCN-ZIAGYGMSSA-N 2 0 272.433 1.890 10 0 CDAERP C[C@@H]1CCC[C@@H](C(=O)NCC(C)(C)C[NH+](C)C)[C@@H]1[NH3+] ZINC000055125302 524265770 /nfs/dbraw/zinc/26/57/70/524265770.db2.gz YUSHYHKFNOGGGS-JHJVBQTASA-N 2 0 269.433 1.454 10 0 CDAERP C[C@@H](C[NH+]1CCCC1)NC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055140689 524590152 /nfs/dbraw/zinc/59/01/52/524590152.db2.gz PPVXSXLPVYFRBK-IHRRRGAJSA-N 2 0 267.417 1.495 10 0 CDAERP C[C@@H](C[NH+]1CCCC1)NC(=O)CCC1CCC([NH3+])CC1 ZINC000055140737 524590679 /nfs/dbraw/zinc/59/06/79/524590679.db2.gz OMZXJINKNHQIBD-NFOMZHRRSA-N 2 0 281.444 1.885 10 0 CDAERP C[C@@H]1C[C@@H]([NH3+])CC[C@@H]1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000055123291 525248220 /nfs/dbraw/zinc/24/82/20/525248220.db2.gz SDERAKWSXUZDGF-DYEKYZERSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC[N@@H+]1C ZINC000246698568 525415177 /nfs/dbraw/zinc/41/51/77/525415177.db2.gz WBAVFTNLHQDPOV-FDYHWXHSSA-N 2 0 253.390 1.055 10 0 CDAERP C[C@@H]1C[C@H]([NH3+])CC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000055138540 525419589 /nfs/dbraw/zinc/41/95/89/525419589.db2.gz KLMHQPFKFQHLMZ-RQJABVFESA-N 2 0 267.417 1.208 10 0 CDAERP Cc1cc([C@H](C[NH3+])N2CCC[N@@H+](C)CC2)ccc1F ZINC000050545937 525536280 /nfs/dbraw/zinc/53/62/80/525536280.db2.gz DOKNALXASPBRLA-HNNXBMFYSA-N 2 0 265.376 1.771 10 0 CDAERP Cc1ccc([C@H](C[NH3+])N2CC[C@H]([NH+](C)C)C2)s1 ZINC000062964032 525951224 /nfs/dbraw/zinc/95/12/24/525951224.db2.gz XDVRZBWEEDFDKM-RYUDHWBXSA-N 2 0 253.415 1.692 10 0 CDAERP C[C@H](CC(=O)N[C@@H]1C[NH2+]CC[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000186868468 526245698 /nfs/dbraw/zinc/24/56/98/526245698.db2.gz AXRGYIAXTOEFAH-AAVRWANBSA-N 2 0 267.417 1.126 10 0 CDAERP C[C@H]1CCCC[C@H]1[N@H+](C)CCn1cc(C[NH3+])nn1 ZINC000052546780 526261440 /nfs/dbraw/zinc/26/14/40/526261440.db2.gz NSJRYYSKXYRIGQ-WCQYABFASA-N 2 0 251.378 1.247 10 0 CDAERP [NH3+]C1CCC(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000062942857 527137812 /nfs/dbraw/zinc/13/78/12/527137812.db2.gz HSUKVYNMSQDZIJ-JXQTWKCFSA-N 2 0 265.401 1.201 10 0 CDAERP CC(C)C[C@@H]([NH3+])CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000414689901 535279112 /nfs/dbraw/zinc/27/91/12/535279112.db2.gz LZXGFGTZFRBQOL-HUUCEWRRSA-N 2 0 253.434 1.920 10 0 CDAERP CCN(CC)C(=O)C1CC[NH+](C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414693912 535398019 /nfs/dbraw/zinc/39/80/19/535398019.db2.gz RYAMOWDEBPWTTG-GJZGRUSLSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@H+](C)[C@H](C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)c1ccccc1 ZINC000262715332 535763232 /nfs/dbraw/zinc/76/32/32/535763232.db2.gz DLPGARSWIJOVQQ-IMJJTQAJSA-N 2 0 289.423 1.794 10 0 CDAERP C[NH+]1CCC(NC(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000416827140 536341937 /nfs/dbraw/zinc/34/19/37/536341937.db2.gz KSPIGLCPEXDHDR-AWEZNQCLSA-N 2 0 276.384 1.080 10 0 CDAERP C[NH2+]C[C@@H]1CCCN1C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000417530670 536455616 /nfs/dbraw/zinc/45/56/16/536455616.db2.gz ILHMCBYKRCUKAY-KFWWJZLASA-N 2 0 296.459 1.643 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCc1sc(C)nc1C ZINC000422885521 536850740 /nfs/dbraw/zinc/85/07/40/536850740.db2.gz GWTZCJYMDSHGLO-LBPRGKRZSA-N 2 0 271.430 1.646 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](O)Cc1cccc(F)c1 ZINC000423142543 536850819 /nfs/dbraw/zinc/85/08/19/536850819.db2.gz AMBYIPGULPTNFF-GJZGRUSLSA-N 2 0 284.375 1.073 10 0 CDAERP C(CC[NH+]1CCOCC1)C[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000348076491 538172696 /nfs/dbraw/zinc/17/26/96/538172696.db2.gz DKBPQWZGYPWMGU-GJZGRUSLSA-N 2 0 252.402 1.877 10 0 CDAERP CC[NH+]1CCC2(CC1)[NH2+]CC1(CCOCC1)CO2 ZINC000757139338 574890193 /nfs/dbraw/zinc/89/01/93/574890193.db2.gz GOBLRFRUIHILGE-UHFFFAOYSA-N 2 0 254.374 1.215 10 0 CDAERP C[C@H]([NH2+]CCCO)[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001689906227 1175300620 /nfs/dbraw/zinc/30/06/20/1175300620.db2.gz RXIKLOZWIWUMLZ-LSDHHAIUSA-N 2 0 299.459 1.070 10 0 CDAERP CCCCC[C@H](C)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000840732919 620686743 /nfs/dbraw/zinc/68/67/43/620686743.db2.gz JHLKFAWJPAFTGS-LSDHHAIUSA-N 2 0 271.449 1.153 10 0 CDAERP CC/C=C/CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001690162795 1175391183 /nfs/dbraw/zinc/39/11/83/1175391183.db2.gz PBGFKRBSZOZTQL-CGFBPQRUSA-N 2 0 293.455 1.921 10 0 CDAERP CC1(C)CO[C@H](C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000872143595 620694942 /nfs/dbraw/zinc/69/49/42/620694942.db2.gz UAGASULIQNDGCN-ZFWWWQNUSA-N 2 0 252.402 1.877 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCc2nnc3ccccn32)C1 ZINC000925511515 617415123 /nfs/dbraw/zinc/41/51/23/617415123.db2.gz ODUFXSDMTOQAMI-STQMWFEESA-N 2 0 287.411 1.767 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925552134 617500520 /nfs/dbraw/zinc/50/05/20/617500520.db2.gz JMDYVFNYPFODNP-BHPKHCPMSA-N 2 0 265.445 1.965 10 0 CDAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccnnc1 ZINC000926203216 617517078 /nfs/dbraw/zinc/51/70/78/617517078.db2.gz VWSBTERWWUMGCC-ZIAGYGMSSA-N 2 0 277.416 1.153 10 0 CDAERP CC(C)(C)S(=O)(=O)CCN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925597585 617541914 /nfs/dbraw/zinc/54/19/14/617541914.db2.gz HQSNVKAWZODEDA-GHMZBOCLSA-N 2 0 274.430 1.059 10 0 CDAERP CCNC(=O)C(C)(C)C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925605587 617548517 /nfs/dbraw/zinc/54/85/17/617548517.db2.gz FQXMSONZBRNKNE-NEPJUHHUSA-N 2 0 269.433 1.644 10 0 CDAERP CS[C@H](CO)[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925612685 617557178 /nfs/dbraw/zinc/55/71/78/617557178.db2.gz TWMUBWIGIDRQOE-CYUUQNCZSA-N 2 0 286.485 1.857 10 0 CDAERP C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)C(C)(C)C ZINC000925857377 617896600 /nfs/dbraw/zinc/89/66/00/617896600.db2.gz ZOJADXVDPXVRPE-NWDGAFQWSA-N 2 0 268.401 1.696 10 0 CDAERP C[C@H](CC[NH+](C)C)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848927735 617592238 /nfs/dbraw/zinc/59/22/38/617592238.db2.gz MDPLOQMYLCVTQZ-RBSFLKMASA-N 2 0 253.434 1.933 10 0 CDAERP Cc1nccnc1CC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925676859 617643365 /nfs/dbraw/zinc/64/33/65/617643365.db2.gz TZLPPMJFCJAYPD-QWHCGFSZSA-N 2 0 262.401 1.823 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C ZINC000925772513 617646031 /nfs/dbraw/zinc/64/60/31/617646031.db2.gz IITJRDHIBNRBSL-OMYYISACSA-N 2 0 252.402 1.620 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](O)Cc2cccc(F)c2)C12CCC2 ZINC000925679549 617649865 /nfs/dbraw/zinc/64/98/65/617649865.db2.gz JOIHMJBBNILZKX-KFWWJZLASA-N 2 0 278.371 1.589 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000925773729 617654278 /nfs/dbraw/zinc/65/42/78/617654278.db2.gz OQORDEHFZHVXLT-MCIONIFRSA-N 2 0 256.390 1.432 10 0 CDAERP C1=C(C[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)CC[NH2+]C1 ZINC000925698498 617735803 /nfs/dbraw/zinc/73/58/03/617735803.db2.gz KFBHTVRUYIKURX-QLFBSQMISA-N 2 0 250.386 1.701 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCC2=CC[NH2+]CC2)C1 ZINC000925703257 617765131 /nfs/dbraw/zinc/76/51/31/617765131.db2.gz COWWVBDOKRIWME-UONOGXRCSA-N 3 0 251.418 1.792 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@](C)(O)c1cccc(F)c1 ZINC000925820619 617786837 /nfs/dbraw/zinc/78/68/37/617786837.db2.gz GGNQQIZPYJFXGF-GJZGRUSLSA-N 2 0 284.375 1.377 10 0 CDAERP CC1(C)[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925708697 617799645 /nfs/dbraw/zinc/79/96/45/617799645.db2.gz SFCJFDQCAYCHLN-UGYDUONOSA-N 3 0 277.456 1.741 10 0 CDAERP OC1(C2(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)CCOCC1 ZINC000925825564 617808246 /nfs/dbraw/zinc/80/82/46/617808246.db2.gz GOKZVKHPXVLZJL-SOUVJXGZSA-N 2 0 294.439 1.286 10 0 CDAERP CC1(C)C[C@@H](N[C@@H]2C[NH2+]CCC2(F)F)C[C@@H]([NH3+])C1 ZINC000925713703 617818426 /nfs/dbraw/zinc/81/84/26/617818426.db2.gz XZTIUYPYQQAURS-OUAUKWLOSA-N 2 0 261.360 1.479 10 0 CDAERP COC[C@H](CC[NH2+][C@H]1CC[NH2+]C12CCCC2)OC ZINC000925714050 617822493 /nfs/dbraw/zinc/82/24/93/617822493.db2.gz NDWPHDXAWAAKCA-STQMWFEESA-N 2 0 256.390 1.302 10 0 CDAERP [NH3+][C@H]1CCC[C@H]([NH2+]CC2(C3(O)CCOCC3)CC2)C1 ZINC000925827504 617840483 /nfs/dbraw/zinc/84/04/83/617840483.db2.gz UVQBGSQMHWHIIU-STQMWFEESA-N 2 0 268.401 1.168 10 0 CDAERP Cc1cc(CC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])nn1C ZINC000925834321 617861980 /nfs/dbraw/zinc/86/19/80/617861980.db2.gz NCUKBHMZSICUEB-GXTWGEPZSA-N 2 0 250.390 1.378 10 0 CDAERP C[C@@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCS[C@H](C)C1 ZINC000925861460 617901934 /nfs/dbraw/zinc/90/19/34/617901934.db2.gz PXVHTWZDLRHMQV-NJMOYASZSA-N 2 0 258.431 1.612 10 0 CDAERP CC(C)[C@H]1COCC[C@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000924964247 618462727 /nfs/dbraw/zinc/46/27/27/618462727.db2.gz AFHAGPXTXMULKB-IAGOWNOFSA-N 2 0 297.487 1.665 10 0 CDAERP C[C@@H]1[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC[N@@H+]1C ZINC000928439176 619082846 /nfs/dbraw/zinc/08/28/46/619082846.db2.gz IEUZKOLNSAHHGF-FVQBIDKESA-N 2 0 293.455 1.992 10 0 CDAERP Cc1noc2ncc(C[NH2+]C[C@H]3C[C@@H]([NH+](C)C)C3)cc12 ZINC000895188211 619439535 /nfs/dbraw/zinc/43/95/35/619439535.db2.gz PJKOKEMARZAZAB-BJHJDKERSA-N 2 0 274.368 1.961 10 0 CDAERP CC(C)[C@@H]1COCC[C@@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000924629676 621604231 /nfs/dbraw/zinc/60/42/31/621604231.db2.gz RNNKVBYSCALRQW-HOTGVXAUSA-N 2 0 297.487 1.663 10 0 CDAERP CC(C)[C@H]1COCC[C@@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000924634407 621615884 /nfs/dbraw/zinc/61/58/84/621615884.db2.gz WBBICERBPWGSMQ-SJORKVTESA-N 2 0 297.487 1.663 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1cn2c(n1)CCCC2 ZINC000924646250 621630707 /nfs/dbraw/zinc/63/07/07/621630707.db2.gz RZWAIBNJUSDPAN-VMZNBEPHSA-N 2 0 288.439 1.692 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC(=O)NC1CCCCC1 ZINC000924732339 621734715 /nfs/dbraw/zinc/73/47/15/621734715.db2.gz XXEARRXGVBAMHZ-VMZNBEPHSA-N 2 0 293.455 1.755 10 0 CDAERP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC000898786559 621872527 /nfs/dbraw/zinc/87/25/27/621872527.db2.gz MPBQENJBXWBMMV-RDJZCZTQSA-N 2 0 293.455 1.709 10 0 CDAERP C[C@H](CNC(=[NH2+])N[C@H](C)C1CC1)[NH+]1CCCCC1 ZINC000899265063 622129020 /nfs/dbraw/zinc/12/90/20/622129020.db2.gz RUNLSFJWCTYYFU-VXGBXAGGSA-N 2 0 252.406 1.773 10 0 CDAERP COC1CC[NH+](CCNC(=[NH2+])N[C@@H](C)C2CC2)CC1 ZINC000899266784 622130822 /nfs/dbraw/zinc/13/08/22/622130822.db2.gz FGZMCVKVDUOEGE-NSHDSACASA-N 2 0 268.405 1.010 10 0 CDAERP C(c1noc([C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)n1)C1CC[NH2+]CC1 ZINC000900017600 622645999 /nfs/dbraw/zinc/64/59/99/622645999.db2.gz NTNZTKDLKYQXRE-QJPTWQEYSA-N 2 0 262.357 1.220 10 0 CDAERP COc1ccc([C@@H](CO)[N@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000903437127 625991871 /nfs/dbraw/zinc/99/18/71/625991871.db2.gz FEZJIUZTHFKJRN-IVMMDQJWSA-N 2 0 278.396 1.788 10 0 CDAERP CCC(C)(C)[NH+]1CCN(C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903463638 625996465 /nfs/dbraw/zinc/99/64/65/625996465.db2.gz HHERBNACVRIOKC-KGLIPLIRSA-N 2 0 253.434 1.648 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000903463898 625996619 /nfs/dbraw/zinc/99/66/19/625996619.db2.gz RFERXZDMYCAECQ-SYAUCNOPSA-N 2 0 276.428 1.576 10 0 CDAERP Cc1cc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c(C)nn1 ZINC000903453504 626001020 /nfs/dbraw/zinc/00/10/20/626001020.db2.gz AFCHHLCEOXGHHS-CVEARBPZSA-N 2 0 290.411 1.422 10 0 CDAERP COC(=O)CC[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)C1CCOCC1 ZINC000903457518 626002662 /nfs/dbraw/zinc/00/26/62/626002662.db2.gz VTSGOPXFTLSSEI-OLZOCXBDSA-N 2 0 284.400 1.158 10 0 CDAERP COCC[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)CC1CC[NH+](C)CC1 ZINC000903476657 626005123 /nfs/dbraw/zinc/00/51/23/626005123.db2.gz FCJHYXUWZMJOEV-CVEARBPZSA-N 3 0 283.460 1.404 10 0 CDAERP CCCCOC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903499789 626009107 /nfs/dbraw/zinc/00/91/07/626009107.db2.gz OBFBJDPEJNFLPR-FRRDWIJNSA-N 2 0 256.390 1.635 10 0 CDAERP [NH3+][C@H]1CN(CCC2CC[NH2+]CC2)CC[C@H]1C(F)(F)F ZINC000903542120 626016174 /nfs/dbraw/zinc/01/61/74/626016174.db2.gz ZHKLKLMEPQRXEM-NEPJUHHUSA-N 2 0 279.350 1.588 10 0 CDAERP C([C@@H]1C[C@]12CCOC2)[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903819899 626102318 /nfs/dbraw/zinc/10/23/18/626102318.db2.gz PNBMTTSVPVYTQZ-GJZGRUSLSA-N 2 0 280.412 1.258 10 0 CDAERP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1CCCSC[C@@H]1C1CC1 ZINC000903827490 626105603 /nfs/dbraw/zinc/10/56/03/626105603.db2.gz ULCBRVSTXXIYKP-UONOGXRCSA-N 2 0 282.453 1.582 10 0 CDAERP COC(=O)[C@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903884105 626132611 /nfs/dbraw/zinc/13/26/11/626132611.db2.gz RTFJRYTUFLFWIA-FOIKRFTLSA-N 2 0 252.358 1.012 10 0 CDAERP CSC[C@@H]1CCC[N@@H+]1C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903900085 626138046 /nfs/dbraw/zinc/13/80/46/626138046.db2.gz ZPEPFADBWNYMPT-ZFWWWQNUSA-N 2 0 296.484 1.673 10 0 CDAERP [NH3+][C@@H](CC(F)F)CN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000903905676 626140871 /nfs/dbraw/zinc/14/08/71/626140871.db2.gz LJWMKDJDERRQSE-RYUDHWBXSA-N 2 0 270.327 1.010 10 0 CDAERP CC[C@@H]1C[N@H+](C[C@H](C[NH3+])Cc2cnn(C)c2C)CCCO1 ZINC000903908877 626143089 /nfs/dbraw/zinc/14/30/89/626143089.db2.gz AIUDLNIYNLLULV-GOEBONIOSA-N 2 0 294.443 1.347 10 0 CDAERP C[C@H]1CC2(CCC2)C[N@@H+]1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903918427 626146114 /nfs/dbraw/zinc/14/61/14/626146114.db2.gz ZJACKCUZFDNFGH-KBPBESRZSA-N 2 0 289.427 1.967 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[NH2+][C@H]2CCCOCC2)cnn1C ZINC000903924967 626148624 /nfs/dbraw/zinc/14/86/24/626148624.db2.gz AMNUOZMGTJMNQQ-HIFRSBDPSA-N 2 0 280.416 1.005 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[NH2+]C[C@H]2CCCCO2)cnn1C ZINC000903926384 626149168 /nfs/dbraw/zinc/14/91/68/626149168.db2.gz LQNXPCCCEQBGEA-DZGCQCFKSA-N 2 0 280.416 1.005 10 0 CDAERP C[NH2+]Cc1ccccc1CNC[C@@H]([NH3+])CC(F)F ZINC000903931984 626151575 /nfs/dbraw/zinc/15/15/75/626151575.db2.gz KQPGVVCBNIKXKJ-LBPRGKRZSA-N 2 0 257.328 1.478 10 0 CDAERP C[N@H+](CCCCCC[NH3+])Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903937156 626155302 /nfs/dbraw/zinc/15/53/02/626155302.db2.gz CLPMVZGYSULAQR-CQSZACIVSA-N 3 0 294.447 1.154 10 0 CDAERP C[C@@H]1C[C@@H](C[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)CC[NH2+]1 ZINC000903937252 626155324 /nfs/dbraw/zinc/15/53/24/626155324.db2.gz GFQIBTKHAXXECB-PMPSAXMXSA-N 3 0 288.439 1.980 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC[C@@H]([NH3+])CC(F)F)cc1 ZINC000903917506 626157312 /nfs/dbraw/zinc/15/73/12/626157312.db2.gz MQKHXUAYAUFDCD-CABZTGNLSA-N 2 0 257.328 1.778 10 0 CDAERP FC1(F)CC[NH2+]C[C@H]1CNCc1cnc2ccccn12 ZINC000903955147 626166627 /nfs/dbraw/zinc/16/66/27/626166627.db2.gz LJZRLDIVMGCATE-NSHDSACASA-N 2 0 280.322 1.669 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCC(C)(C)C)C2 ZINC000903977265 626170032 /nfs/dbraw/zinc/17/00/32/626170032.db2.gz NDACHDFZHMWTIQ-ZOWXZIJZSA-N 2 0 268.401 1.635 10 0 CDAERP c1cnc2ccc(CN3CC[NH2+]CC[NH2+]CC3)cc2c1 ZINC000904399079 626279865 /nfs/dbraw/zinc/27/98/65/626279865.db2.gz ZAVWHSVCIBTJRA-UHFFFAOYSA-N 2 0 270.380 1.230 10 0 CDAERP C[NH+](C)C(C)(C)CNC(=[NH2+])NC[C@@H]1CCCS1 ZINC000905041811 626380970 /nfs/dbraw/zinc/38/09/70/626380970.db2.gz LILUMRSFKVNWMZ-JTQLQIEISA-N 2 0 258.435 1.336 10 0 CDAERP C[NH+]1CCC(CNC(=[NH2+])NC[C@H]2CCCS2)CC1 ZINC000905042265 626381819 /nfs/dbraw/zinc/38/18/19/626381819.db2.gz NKYXHSHRELUNSC-GFCCVEGCSA-N 2 0 270.446 1.338 10 0 CDAERP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC000908287010 628113418 /nfs/dbraw/zinc/11/34/18/628113418.db2.gz DROCXCYNBRNWFA-QLFBSQMISA-N 2 0 281.444 1.848 10 0 CDAERP C[NH+]1CCC(C(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC000909875441 628722475 /nfs/dbraw/zinc/72/24/75/628722475.db2.gz OCJSDZFSBXGHEE-UHFFFAOYSA-N 2 0 272.352 1.292 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+]3CCC3)C2)CC[N@@H+]1C ZINC000912903196 630296010 /nfs/dbraw/zinc/29/60/10/630296010.db2.gz PUBQUKUJAFSQSM-MELADBBJSA-N 2 0 265.401 1.023 10 0 CDAERP CC1CC[NH+](CC(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)CC1 ZINC000913283789 630434764 /nfs/dbraw/zinc/43/47/64/630434764.db2.gz RFCXHYIYZACSPO-IAGOWNOFSA-N 2 0 293.455 1.519 10 0 CDAERP C[NH+]1CCC(OCC(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000929420223 630637973 /nfs/dbraw/zinc/63/79/73/630637973.db2.gz LMPKLMFWUOTWQN-UHFFFAOYSA-N 2 0 297.443 1.089 10 0 CDAERP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)C2(O)CCCC2)C1 ZINC000929762315 630827514 /nfs/dbraw/zinc/82/75/14/630827514.db2.gz DUAXGGMYBRIOJT-HZPDHXFCSA-N 2 0 296.455 1.316 10 0 CDAERP C[C@H]1[C@@H](NC(=O)NCC2([NH+](C)C)CCCCC2)CC[N@@H+]1C ZINC000913868144 630855369 /nfs/dbraw/zinc/85/53/69/630855369.db2.gz YDPQTVFMPCPFNG-KBPBESRZSA-N 2 0 296.459 1.643 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000915717037 631803800 /nfs/dbraw/zinc/80/38/00/631803800.db2.gz LPNQNYOVWFICDQ-HIFRSBDPSA-N 2 0 296.459 1.643 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000925346175 633194371 /nfs/dbraw/zinc/19/43/71/633194371.db2.gz RUZORLPBGQHEKJ-KGLIPLIRSA-N 2 0 296.459 1.595 10 0 CDAERP CCCC[NH2+]CCN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001691348039 1159029411 /nfs/dbraw/zinc/02/94/11/1159029411.db2.gz QCUXRSPXHCQZJW-UHFFFAOYSA-N 2 0 255.406 1.319 10 0 CDAERP C[C@H]1CC[C@H](C[NH2+]CCN(C)C(=O)C[N@H+](C)C2CCC2)O1 ZINC001691347784 1159029661 /nfs/dbraw/zinc/02/96/61/1159029661.db2.gz KLNCNRKKQSSDBA-DZGCQCFKSA-N 2 0 297.443 1.086 10 0 CDAERP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000250603711 1159272755 /nfs/dbraw/zinc/27/27/55/1159272755.db2.gz KSYMRLQUKLPYEJ-BARDWOONSA-N 2 0 279.428 1.365 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+]C/C=C\Cl ZINC001267474791 1159403633 /nfs/dbraw/zinc/40/36/33/1159403633.db2.gz VGHKVFHVWCFZMC-WAYWQWQTSA-N 2 0 261.797 1.127 10 0 CDAERP CCC[NH2+]C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001269084048 1160029068 /nfs/dbraw/zinc/02/90/68/1160029068.db2.gz JCACVVAWNFBCLD-HNNXBMFYSA-N 2 0 293.455 1.757 10 0 CDAERP CC(C)C[N@H+](C)CCOCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001691606717 1160715759 /nfs/dbraw/zinc/71/57/59/1160715759.db2.gz PNWNZSJIRXYQPZ-OAHLLOKOSA-N 2 0 299.459 1.001 10 0 CDAERP CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CC2)C1 ZINC001649115053 1161388232 /nfs/dbraw/zinc/38/82/32/1161388232.db2.gz MHTCICFVCSDZHQ-ZIAGYGMSSA-N 2 0 265.401 1.166 10 0 CDAERP CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001672915448 1165919709 /nfs/dbraw/zinc/91/97/09/1165919709.db2.gz HRPLKBIYRCKZJN-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP CN(C)c1cccc(CN2CC[C@H](C[NH+](C)C)C2)n1 ZINC001642685420 1167190031 /nfs/dbraw/zinc/19/00/31/1167190031.db2.gz ULRJBUMMSDMXGW-CYBMUJFWSA-N 2 0 262.401 1.531 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[C@@H]2C[NH+](C)C[C@@H]12 ZINC001647009641 1168345661 /nfs/dbraw/zinc/34/56/61/1168345661.db2.gz KOUJOWRWHPSYBA-KBUPBQIOSA-N 2 0 279.428 1.317 10 0 CDAERP C(C[C@@H]1CCO1)C[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001647402573 1168649185 /nfs/dbraw/zinc/64/91/85/1168649185.db2.gz LVPIYXIFMYTFHH-MRXNPFEDSA-N 2 0 282.428 1.789 10 0 CDAERP C[NH+]1CCC(C(=O)NCC2([NH2+]CCCF)CCCC2)CC1 ZINC001568241356 1169194014 /nfs/dbraw/zinc/19/40/14/1169194014.db2.gz NFSHSLNRYPHVSJ-UHFFFAOYSA-N 2 0 299.434 1.706 10 0 CDAERP CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001568429576 1169285221 /nfs/dbraw/zinc/28/52/21/1169285221.db2.gz NUQOKDGXLJVMJP-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](CC[NH2+]Cc1ccon1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001568698200 1169435580 /nfs/dbraw/zinc/43/55/80/1169435580.db2.gz ASMTUCSYODQYFF-QWHCGFSZSA-N 2 0 294.399 1.001 10 0 CDAERP CCCC[NH2+]CCN(CC)C(=O)C1CC[NH+](C)CC1 ZINC001568772467 1169469166 /nfs/dbraw/zinc/46/91/66/1169469166.db2.gz WFFHQGCTDPKEPX-UHFFFAOYSA-N 2 0 269.433 1.566 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001569431085 1169879743 /nfs/dbraw/zinc/87/97/43/1169879743.db2.gz DQBCJHMDXKAFQS-UHFFFAOYSA-N 2 0 253.390 1.121 10 0 CDAERP CC(C)CC[NH+]1CC(N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001569504895 1169903693 /nfs/dbraw/zinc/90/36/93/1169903693.db2.gz ULLPGLYORLCQQW-UHFFFAOYSA-N 2 0 283.460 1.907 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H](C[NH2+]CCCF)C1 ZINC001661832914 1172448443 /nfs/dbraw/zinc/44/84/43/1172448443.db2.gz ROERXSBYGBZIGY-AWEZNQCLSA-N 2 0 287.423 1.516 10 0 CDAERP CCCC[NH2+][C@@H](C)CCNC(=O)C[NH+]1CCCC1 ZINC001663009182 1172627285 /nfs/dbraw/zinc/62/72/85/1172627285.db2.gz RDJWGORDGCPXIE-ZDUSSCGKSA-N 2 0 255.406 1.367 10 0 CDAERP CC[C@H](C)C[NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001664112008 1172812265 /nfs/dbraw/zinc/81/22/65/1172812265.db2.gz ZLLFQAVPNYDOMQ-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP C[NH+](C)CCCNC(=O)c1cccc(CC[NH+](C)C)c1 ZINC001587102131 1172971463 /nfs/dbraw/zinc/97/14/63/1172971463.db2.gz NCMFDTMUJJOXRB-UHFFFAOYSA-N 2 0 277.412 1.472 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1CCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001666458742 1173136873 /nfs/dbraw/zinc/13/68/73/1173136873.db2.gz ORJZPFCCASCWRY-JKSUJKDBSA-N 2 0 293.455 1.875 10 0 CDAERP CC(C)[C@H](C(=O)NC/C=C/C[NH2+]CCF)[NH+]1CCCC1 ZINC001669206796 1173517638 /nfs/dbraw/zinc/51/76/38/1173517638.db2.gz HRAVHOOQZXDQNR-RDFMZFSFSA-N 2 0 285.407 1.338 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001669861527 1173620672 /nfs/dbraw/zinc/62/06/72/1173620672.db2.gz BDGLKEFWVKITQK-ZIAGYGMSSA-N 2 0 267.417 1.483 10 0 CDAERP CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001669867574 1173620955 /nfs/dbraw/zinc/62/09/55/1173620955.db2.gz GTNHVMQNYSVCML-AGIUHOORSA-N 2 0 255.406 1.173 10 0 CDAERP CCCCC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001672332304 1173767561 /nfs/dbraw/zinc/76/75/61/1173767561.db2.gz DTKTWOGXIHPFNU-HOTGVXAUSA-N 2 0 295.471 1.957 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC2CC2)C1)[NH+](C)C ZINC001675818401 1174151146 /nfs/dbraw/zinc/15/11/46/1174151146.db2.gz HAACPBYTEFWORS-IHRRRGAJSA-N 2 0 267.417 1.221 10 0 CDAERP CC[N@H+](C)CCC(=O)NCC1=CC[NH+](CCC2CC2)CC1 ZINC001677621486 1174379429 /nfs/dbraw/zinc/37/94/29/1174379429.db2.gz RBZZMWFXRXYQOP-UHFFFAOYSA-N 2 0 293.455 1.877 10 0 CDAERP C[N@@H+]1CCC[C@H]2CN(c3cc[nH+]cc3CO)CC[C@@H]21 ZINC000126545757 1175475477 /nfs/dbraw/zinc/47/54/77/1175475477.db2.gz XIUYBXOBFDUFKU-JSGCOSHPSA-N 2 0 261.369 1.494 10 0 CDAERP CCC[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001690577607 1175509941 /nfs/dbraw/zinc/50/99/41/1175509941.db2.gz SWMPLVDUYOBFJI-FRRDWIJNSA-N 2 0 255.406 1.221 10 0 CDAERP CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001690713800 1175554359 /nfs/dbraw/zinc/55/43/59/1175554359.db2.gz XLDQOXOJRVACDL-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP CCOCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001691979360 1175662900 /nfs/dbraw/zinc/66/29/00/1175662900.db2.gz JSFWTWPNUWMYNR-CABCVRRESA-N 2 0 299.459 1.143 10 0 CDAERP CC(C)[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)C(C)C ZINC001698977331 1176003351 /nfs/dbraw/zinc/00/33/51/1176003351.db2.gz PAYMMNWFWMPJJS-CYBMUJFWSA-N 2 0 255.406 1.221 10 0 CDAERP CC[C@H](F)C[NH2+]CC[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001699166868 1176120645 /nfs/dbraw/zinc/12/06/45/1176120645.db2.gz XEHJPOJPSPLKBY-OLZOCXBDSA-N 2 0 273.396 1.315 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001699427111 1176390788 /nfs/dbraw/zinc/39/07/88/1176390788.db2.gz NKAMARWGYJVBDP-ZDUSSCGKSA-N 2 0 265.401 1.143 10 0 CDAERP C[NH+](C)C1(C(=O)N2CCC[C@H]2C[NH2+]CCC2CC2)CCC1 ZINC001699752708 1176607539 /nfs/dbraw/zinc/60/75/39/1176607539.db2.gz CFFFSMXKAWITPL-HNNXBMFYSA-N 2 0 293.455 1.851 10 0 CDAERP CCCCC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001700086766 1176742476 /nfs/dbraw/zinc/74/24/76/1176742476.db2.gz DKHCPZDTUHLRJB-HOTGVXAUSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001700356588 1176868722 /nfs/dbraw/zinc/86/87/22/1176868722.db2.gz IUSFUZDLDHYEMP-OAHLLOKOSA-N 2 0 281.444 1.827 10 0 CDAERP CCCCC[NH+]1CC([C@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001700544449 1177008244 /nfs/dbraw/zinc/00/82/44/1177008244.db2.gz ATZNFJXBIKRZJG-AWEZNQCLSA-N 2 0 295.471 1.955 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]([NH2+]CCCF)C(C)(C)C2)C1 ZINC001700948904 1177205245 /nfs/dbraw/zinc/20/52/45/1177205245.db2.gz WZGLMZHKZWQUKP-STQMWFEESA-N 2 0 285.407 1.124 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)C(C)C ZINC001707386890 1178010264 /nfs/dbraw/zinc/01/02/64/1178010264.db2.gz IHEIJRMPBSBWFQ-OAHLLOKOSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCCC[NH+](C)CC1CC(C)C1 ZINC001712991526 1178289154 /nfs/dbraw/zinc/28/91/54/1178289154.db2.gz UAOWDCGQWVBGLX-UHFFFAOYSA-N 2 0 283.460 1.811 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001713205831 1178430867 /nfs/dbraw/zinc/43/08/67/1178430867.db2.gz SHGSIZGXJBMGFN-MCIONIFRSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(Cl)nc1 ZINC001713335685 1178504943 /nfs/dbraw/zinc/50/49/43/1178504943.db2.gz TWCNHUYDDJKLRH-LLVKDONJSA-N 2 0 298.818 1.281 10 0 CDAERP CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001713354021 1178516653 /nfs/dbraw/zinc/51/66/53/1178516653.db2.gz FYLSYAMNBBVTSU-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP CCCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CC)C1 ZINC001713722808 1178723136 /nfs/dbraw/zinc/72/31/36/1178723136.db2.gz UTVLOSNOJUEEAT-UONOGXRCSA-N 2 0 267.417 1.271 10 0 CDAERP CCC[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001713793087 1178756478 /nfs/dbraw/zinc/75/64/78/1178756478.db2.gz LGOZWRYSDMXWND-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP CCCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001714093068 1178968646 /nfs/dbraw/zinc/96/86/46/1178968646.db2.gz AVHMKXAVENYODR-HOTGVXAUSA-N 2 0 295.471 1.957 10 0 CDAERP C[NH+](C)C1(C(=O)N2CCCC[C@@H]2C[NH2+]CCCF)CCC1 ZINC001714129508 1178986215 /nfs/dbraw/zinc/98/62/15/1178986215.db2.gz JBZKPTLNXKOADD-CQSZACIVSA-N 2 0 299.434 1.801 10 0 CDAERP C[N@H+](CC(=O)N[C@@](C)(C[NH2+]CCF)C1CC1)C1CCC1 ZINC001714164620 1178998036 /nfs/dbraw/zinc/99/80/36/1178998036.db2.gz KFOJIKPNQHOWPC-HNNXBMFYSA-N 2 0 285.407 1.315 10 0 CDAERP C[C@H](C[NH2+]C/C=C\Cl)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001714821755 1179411111 /nfs/dbraw/zinc/41/11/11/1179411111.db2.gz IIFVANXELRFEKV-FSMZVQOTSA-N 2 0 287.835 1.517 10 0 CDAERP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CC1CCC1 ZINC001715070205 1179539510 /nfs/dbraw/zinc/53/95/10/1179539510.db2.gz GSQVWILYJZIEEA-ZDUSSCGKSA-N 2 0 255.406 1.223 10 0 CDAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCCC(C)C ZINC001715079059 1179542684 /nfs/dbraw/zinc/54/26/84/1179542684.db2.gz FQGSFSLSBCUBGZ-GJZGRUSLSA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001715228937 1179586586 /nfs/dbraw/zinc/58/65/86/1179586586.db2.gz JFVATCYLTXFVQR-GOEBONIOSA-N 2 0 293.455 1.636 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCF ZINC001715332047 1179629096 /nfs/dbraw/zinc/62/90/96/1179629096.db2.gz WEVDFTVRVWZTCA-QWHCGFSZSA-N 2 0 273.396 1.265 10 0 CDAERP C[N@H+](CC(=O)NC/C=C/C[NH2+]CCF)CC(C)(C)C ZINC001715874574 1179889972 /nfs/dbraw/zinc/88/99/72/1179889972.db2.gz RUXMHBODELJLQQ-AATRIKPKSA-N 2 0 273.396 1.196 10 0 CDAERP C[C@@H](C[NH2+]CCCF)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001716006039 1179978377 /nfs/dbraw/zinc/97/83/77/1179978377.db2.gz WAIPDWXGBYLODA-ZDUSSCGKSA-N 2 0 299.434 1.562 10 0 CDAERP C[C@@H](CC[NH2+]CC1CC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001716168495 1180080929 /nfs/dbraw/zinc/08/09/29/1180080929.db2.gz GZAXLBFERNVYDW-LBPRGKRZSA-N 2 0 267.417 1.223 10 0 CDAERP O=C(NC/C=C/C[NH2+]CC1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001716294784 1180145877 /nfs/dbraw/zinc/14/58/77/1180145877.db2.gz BYMSTXLPWNBBAO-BGTMTDRBSA-N 2 0 277.412 1.000 10 0 CDAERP CCCC[NH2+]C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001716402117 1180187701 /nfs/dbraw/zinc/18/77/01/1180187701.db2.gz PRHLGJAWNGROOI-CQSZACIVSA-N 2 0 281.444 1.757 10 0 CDAERP CC1CC(C[NH2+]CCCN(C)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001716546110 1180278956 /nfs/dbraw/zinc/27/89/56/1180278956.db2.gz HQBLZSHFGSPPHT-UHFFFAOYSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001716860715 1180444364 /nfs/dbraw/zinc/44/43/64/1180444364.db2.gz PVMFFVHTKJDHRK-RDJZCZTQSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001717473635 1180694774 /nfs/dbraw/zinc/69/47/74/1180694774.db2.gz UYMJQVLYCMOLKI-GXTWGEPZSA-N 2 0 267.417 1.175 10 0 CDAERP CCCC[C@@H](C[NH2+]CCF)NC(=O)C12CC[NH+](CC1)C2 ZINC001717532980 1180724392 /nfs/dbraw/zinc/72/43/92/1180724392.db2.gz ROCLQSLQHGUIFE-ZDUSSCGKSA-N 2 0 285.407 1.316 10 0 CDAERP C[C@H](NC(=O)CC[NH+](C)C)C1C[NH+](CC2=CCCCC2)C1 ZINC001717555552 1180738452 /nfs/dbraw/zinc/73/84/52/1180738452.db2.gz CONINUNMYKICSG-AWEZNQCLSA-N 2 0 293.455 1.875 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCC2CC2)C1 ZINC001717637787 1180767520 /nfs/dbraw/zinc/76/75/20/1180767520.db2.gz OZFKCPNCGQTERK-KKUMJFAQSA-N 2 0 279.428 1.365 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CCF)C1)[NH+](C)C ZINC001717650927 1180775015 /nfs/dbraw/zinc/77/50/15/1180775015.db2.gz JVJXOWLLNXFYCF-JHJVBQTASA-N 2 0 273.396 1.027 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001717749467 1180826521 /nfs/dbraw/zinc/82/65/21/1180826521.db2.gz CSFKUHHTNNDJGY-KBPBESRZSA-N 2 0 269.433 1.421 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2cncn2C)C1 ZINC001717827666 1180882508 /nfs/dbraw/zinc/88/25/08/1180882508.db2.gz ZHSKWNFYOSWMRY-OLZOCXBDSA-N 2 0 278.400 1.342 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]C/C=C/Cl)C1CC1 ZINC001723321903 1181537747 /nfs/dbraw/zinc/53/77/47/1181537747.db2.gz BYDDTLDKMIIJKH-CSNMRHKHSA-N 2 0 299.846 1.708 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001723967452 1181626488 /nfs/dbraw/zinc/62/64/88/1181626488.db2.gz RBGKYMBHQWMBOF-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[NH2+]C[C@]1(C)CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001724239897 1181657067 /nfs/dbraw/zinc/65/70/67/1181657067.db2.gz OJHIXHLGNRNRCV-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@](C)(C[NH2+]CCCF)C2)C1 ZINC001724258225 1181658596 /nfs/dbraw/zinc/65/85/96/1181658596.db2.gz FLYCDZRKNFDOLY-HOCLYGCPSA-N 2 0 299.434 1.516 10 0 CDAERP C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1[NH2+]CCCF ZINC001724938782 1181801653 /nfs/dbraw/zinc/80/16/53/1181801653.db2.gz QPNANTFJIRVRKF-UONOGXRCSA-N 2 0 297.418 1.411 10 0 CDAERP CCC[NH2+]CC1CC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001725064296 1181841102 /nfs/dbraw/zinc/84/11/02/1181841102.db2.gz JTWLRAGBWCEYIC-PESDSKBTSA-N 2 0 279.428 1.223 10 0 CDAERP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]([NH2+]C/C=C\Cl)C1 ZINC001731456895 1182399019 /nfs/dbraw/zinc/39/90/19/1182399019.db2.gz SQMPHSVCHBVQLL-VNYHSZRASA-N 2 0 287.835 1.708 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CCCF)C1 ZINC001731660359 1182506717 /nfs/dbraw/zinc/50/67/17/1182506717.db2.gz PAVMTJVAXWYTSB-LSDHHAIUSA-N 2 0 299.434 1.659 10 0 CDAERP CN(CC[NH2+]CC1CCC1)C(=O)C12CCC[NH+]1CCC2 ZINC001731928861 1182683166 /nfs/dbraw/zinc/68/31/66/1182683166.db2.gz ZOZAQAPHFPJDMR-UHFFFAOYSA-N 2 0 279.428 1.463 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)NC/C=C\C[NH2+]CCF)CC1 ZINC001732916621 1183183751 /nfs/dbraw/zinc/18/37/51/1183183751.db2.gz DFAGPPLYLXMGJT-ARJAWSKDSA-N 2 0 285.407 1.338 10 0 CDAERP C[C@@H](O)C[NH2+]CCCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001733130894 1183301799 /nfs/dbraw/zinc/30/17/99/1183301799.db2.gz JSFHZNNREVFJJW-HUUCEWRRSA-N 2 0 299.459 1.070 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@H]1CC[C@H](C[NH2+]CCF)CC1 ZINC001733568751 1183468248 /nfs/dbraw/zinc/46/82/48/1183468248.db2.gz OJQONFQZQGLFPM-SHTZXODSSA-N 2 0 299.434 1.564 10 0 CDAERP CC(C)[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)CC1(C)C ZINC001734509200 1183804135 /nfs/dbraw/zinc/80/41/35/1183804135.db2.gz OHKGHGDRLCCWFU-CQSZACIVSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N(C)C2CC([NH2+]CCCF)C2)CC[N@@H+]1C ZINC001734598511 1183841425 /nfs/dbraw/zinc/84/14/25/1183841425.db2.gz GXQKOWIUSOZLTQ-HESLUPGFSA-N 2 0 299.434 1.655 10 0 CDAERP CC[C@H](C)C[C@H]([NH3+])C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000400751008 1186375960 /nfs/dbraw/zinc/37/59/60/1186375960.db2.gz CSMFCNVYLJGKQG-AVGNSLFASA-N 2 0 255.406 1.303 10 0 CDAERP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N(C)[C@@H]3CCC[NH+](C)C3)C[N@@H+]2C1 ZINC001772421821 1187222411 /nfs/dbraw/zinc/22/24/11/1187222411.db2.gz OZWBLFSPZCGXFF-LVQVYYBASA-N 2 0 293.455 1.659 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1[NH2+]CC[C@H]2CCCC[C@@H]21)[NH+](C)C ZINC000388516139 1187272662 /nfs/dbraw/zinc/27/26/62/1187272662.db2.gz QJNMBGFVDRASJK-YIYPIFLZSA-N 2 0 267.417 1.221 10 0 CDAERP CCN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866703831 1164811909 /nfs/dbraw/zinc/81/19/09/1164811909.db2.gz LBRNZKVPGDCIOT-BBRMVZONSA-N 2 0 283.460 1.940 10 0 CDAERP CC(C)[N@H+](CCO)CCCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001691727699 1166551455 /nfs/dbraw/zinc/55/14/55/1166551455.db2.gz VYOJZJPNDCNDDM-OAHLLOKOSA-N 2 0 299.459 1.068 10 0 CDAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+](C(C)C)C2)C1 ZINC001412622997 1166738057 /nfs/dbraw/zinc/73/80/57/1166738057.db2.gz QZGSPARWJKAQRH-JKSUJKDBSA-N 2 0 295.471 1.907 10 0 CDAERP [NH3+][C@@H]1CC[C@H](CNC(=O)Nc2ccn3ccnc3c2)C1 ZINC000926105318 844013470 /nfs/dbraw/zinc/01/34/70/844013470.db2.gz BLYCAHAUZBEAHO-WDEREUQCSA-N 2 0 273.340 1.583 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@]1(C(F)(F)F)CCCN1 ZINC000925858629 844022175 /nfs/dbraw/zinc/02/21/75/844022175.db2.gz VKDAPKCQXBGBJE-QWRGUYRKSA-N 2 0 283.338 1.014 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]CCNC(=O)c2ccccc2)C12CCC2 ZINC000925572546 844037843 /nfs/dbraw/zinc/03/78/43/844037843.db2.gz JMOHLPLJADKBKR-KGLIPLIRSA-N 2 0 273.380 1.276 10 0 CDAERP C[C@H](CCc1cccnc1)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000866270244 844041216 /nfs/dbraw/zinc/04/12/16/844041216.db2.gz LGNLNHVBKGNVOV-CQSZACIVSA-N 2 0 277.412 1.449 10 0 CDAERP Cc1nn(C)cc1[C@H](C)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000925782895 844062964 /nfs/dbraw/zinc/06/29/64/844062964.db2.gz MWJCDZMSHINSEW-ONGXEEELSA-N 2 0 272.343 1.624 10 0 CDAERP C[C@@H](NC(=O)CCC12CC(C1)C[NH2+]2)[C@H]1CCC[NH2+]C1 ZINC000870933917 844076187 /nfs/dbraw/zinc/07/61/87/844076187.db2.gz ARJDHYJDHYSGAJ-UQJCBBSYSA-N 2 0 265.401 1.023 10 0 CDAERP CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925677827 844084380 /nfs/dbraw/zinc/08/43/80/844084380.db2.gz QSPAJDYQIZSHOI-RWMBFGLXSA-N 2 0 267.417 1.398 10 0 CDAERP C[N@@H+]1C[C@@H]2C[NH+](C[C@@](C)(O)c3ccccc3)C[C@]2(C)C1 ZINC000702327898 844085256 /nfs/dbraw/zinc/08/52/56/844085256.db2.gz VEEMQUDZZCVYAA-IXDOHACOSA-N 2 0 274.408 1.778 10 0 CDAERP CO[C@@H]1CCN([C@H]2CCC[C@H]2[NH2+]CCc2cnn(C)c2)C1 ZINC000886082527 844092387 /nfs/dbraw/zinc/09/23/87/844092387.db2.gz LLGAJWSLHWXNPE-OAGGEKHMSA-N 2 0 292.427 1.194 10 0 CDAERP Cc1cc([C@H]([NH3+])CC(=O)NC[C@H]2C[C@H]([NH3+])C2)cc(Cl)n1 ZINC000870971603 844105965 /nfs/dbraw/zinc/10/59/65/844105965.db2.gz FOAZXZPVVNNYSQ-YUSALJHKSA-N 2 0 296.802 1.287 10 0 CDAERP CC1(C)[C@@H](NC[C@H]2C[NH2+]CCC2(F)F)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925776128 844142629 /nfs/dbraw/zinc/14/26/29/844142629.db2.gz JAAJTAZNBXBQQE-NDBYEHHHSA-N 2 0 287.398 1.597 10 0 CDAERP C[C@H]1C[N@H+](Cc2cn(-c3ccccc3)nn2)CC[C@H]1C[NH3+] ZINC000923500829 844144847 /nfs/dbraw/zinc/14/48/47/844144847.db2.gz YJWXOFWJEVWYBK-KBPBESRZSA-N 2 0 285.395 1.684 10 0 CDAERP C[NH+](C)CCOCC[NH2+][C@H](C1CCC1)[C@@H]1CCCO1 ZINC000866349117 844808236 /nfs/dbraw/zinc/80/82/36/844808236.db2.gz XUHIEVDPAVBPJF-LSDHHAIUSA-N 2 0 270.417 1.502 10 0 CDAERP C(C[NH2+]C1CC1)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000923385624 844202831 /nfs/dbraw/zinc/20/28/31/844202831.db2.gz BLAUQTSOZXWHPH-OAHLLOKOSA-N 3 0 265.445 1.840 10 0 CDAERP CN(C(=O)C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1)C1CC1 ZINC000923505635 844251194 /nfs/dbraw/zinc/25/11/94/844251194.db2.gz OWTRDVZSZHVXGJ-AWEZNQCLSA-N 2 0 293.455 1.709 10 0 CDAERP [NH3+]CCCCCC[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872148801 844272893 /nfs/dbraw/zinc/27/28/93/844272893.db2.gz HKFUNLSFLXMOJC-GHMZBOCLSA-N 3 0 267.339 1.575 10 0 CDAERP CCCCCC[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000863547773 844342925 /nfs/dbraw/zinc/34/29/25/844342925.db2.gz YLECXSYVRIWAMV-UHFFFAOYSA-N 2 0 282.432 1.210 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CCOc2cccnc2)CC1(C)C ZINC000858136993 844360314 /nfs/dbraw/zinc/36/03/14/844360314.db2.gz CCRBUWFCYPYKRO-CYBMUJFWSA-N 2 0 263.385 1.923 10 0 CDAERP CC[C@@H](C[C@](C)(O)CC)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000925216979 844384436 /nfs/dbraw/zinc/38/44/36/844384436.db2.gz VDNALBIEQWXOTM-DOTOQJQBSA-N 2 0 299.503 1.932 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)[C@@H]2[NH2+]CC2(C)C)C1 ZINC000870991344 844394434 /nfs/dbraw/zinc/39/44/34/844394434.db2.gz DVTXDMATOUVNRC-XHDPSFHLSA-N 2 0 267.417 1.208 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCNc1ccc(C)cn1 ZINC000925878780 844439249 /nfs/dbraw/zinc/43/92/49/844439249.db2.gz ZNXXGXNVYUAXMS-ZDUSSCGKSA-N 2 0 266.389 1.145 10 0 CDAERP CCOC(=O)C1=CC[C@H]([NH2+][C@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000863544389 844439451 /nfs/dbraw/zinc/43/94/51/844439451.db2.gz SGIPTMUJLGOELV-UBHSHLNASA-N 2 0 266.385 1.616 10 0 CDAERP C[C@H]1C[C@H](NC[C@]23CCC[C@H]2[NH2+]CC3)C[N@@H+]1C1CC1 ZINC000925845669 844447866 /nfs/dbraw/zinc/44/78/66/844447866.db2.gz ZOSXGAWDZIVXLZ-WMHQRMGPSA-N 2 0 263.429 1.733 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC000925504160 844448478 /nfs/dbraw/zinc/44/84/78/844448478.db2.gz MKRBFSXBDQWCQC-NWDGAFQWSA-N 2 0 253.390 1.008 10 0 CDAERP C[C@@H]1COC[C@@H](C)C1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000926541106 844462662 /nfs/dbraw/zinc/46/26/62/844462662.db2.gz KSXSGWXTSLMKOT-DUJLVANISA-N 2 0 252.402 1.872 10 0 CDAERP O=C1O[C@@H](C[NH2+][C@H](C2CC2)C2CCC2)CC12CC[NH2+]CC2 ZINC000925849258 844479685 /nfs/dbraw/zinc/47/96/85/844479685.db2.gz NRZLNJQOGRBYNB-CABCVRRESA-N 2 0 292.423 1.840 10 0 CDAERP CCN(C(=O)NC[C@@H](C)[NH+]1CCCCC1)[C@H]1CC[N@H+](C)C1 ZINC000853465987 844499284 /nfs/dbraw/zinc/49/92/84/844499284.db2.gz PEDWPWOKOSPRDD-CABCVRRESA-N 2 0 296.459 1.596 10 0 CDAERP C[C@@H]([NH2+][C@H]1C[C@@H]2CC[C@@H]([NH2+]2)[C@H]1C)C1CC[NH2+]CC1 ZINC000925726934 844500842 /nfs/dbraw/zinc/50/08/42/844500842.db2.gz ARPHPXBGJWZKDJ-NXRJPMIISA-N 3 0 251.418 1.493 10 0 CDAERP CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)C1 ZINC000721941006 844555766 /nfs/dbraw/zinc/55/57/66/844555766.db2.gz DJTNNWDKKRSSFS-XQLPTFJDSA-N 2 0 252.402 1.875 10 0 CDAERP C[C@@H]1[C@H](NC(=O)NCc2ccc3c[nH+]cn3c2)CC[N@@H+]1C ZINC000922834816 844579511 /nfs/dbraw/zinc/57/95/11/844579511.db2.gz QFLVTMBODVNGSF-BXUZGUMPSA-N 2 0 287.367 1.226 10 0 CDAERP COC[C@@H](CC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)OC ZINC000925714808 844589008 /nfs/dbraw/zinc/58/90/08/844589008.db2.gz WZFOHIBIKPBFHO-YIYPIFLZSA-N 2 0 270.417 1.404 10 0 CDAERP CC[N@H+](C)[C@@H]1CCN(C(=O)NCC[C@H]2CCC[NH+](C)C2)C1 ZINC001364286845 1167529872 /nfs/dbraw/zinc/52/98/72/1167529872.db2.gz JHTHMFGKPGBXBV-HUUCEWRRSA-N 2 0 296.459 1.454 10 0 CDAERP C[C@H]1CCCC[C@H]1OCCN1CC[NH2+]CC[NH2+]CC1 ZINC000923460136 843000281 /nfs/dbraw/zinc/00/02/81/843000281.db2.gz AIIQKTXAJKJUGZ-LSDHHAIUSA-N 2 0 269.433 1.077 10 0 CDAERP CC[NH2+]Cc1ccccc1NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000237054131 843002075 /nfs/dbraw/zinc/00/20/75/843002075.db2.gz AUMMYQBDVSSWPZ-CYBMUJFWSA-N 2 0 293.436 1.830 10 0 CDAERP CC1(C)CC[NH2+]CCN1C(=O)CCCC[NH+]1CCCC1 ZINC000872297184 843036196 /nfs/dbraw/zinc/03/61/96/843036196.db2.gz IXINPZHJWAFYCM-UHFFFAOYSA-N 2 0 281.444 1.853 10 0 CDAERP C[C@@H]([NH2+]C/C=C\C[NH2+][C@@H](C)c1cn[nH]c1)c1cn[nH]c1 ZINC000778141049 843058526 /nfs/dbraw/zinc/05/85/26/843058526.db2.gz SYZHKJDLAGSHJK-XVGAQQEPSA-N 2 0 274.372 1.690 10 0 CDAERP CC1(C)C[NH2+]CC[C@H](NC(=O)CC[NH2+]CC2CC2)C1 ZINC000872275933 843080502 /nfs/dbraw/zinc/08/05/02/843080502.db2.gz MBXLCGXYCMFPIR-ZDUSSCGKSA-N 2 0 267.417 1.271 10 0 CDAERP C[C@@H]1[C@H](NC(=O)N2CC[C@@]3(C2)CCC[NH+](C)C3)CC[N@@H+]1C ZINC000925333588 843197805 /nfs/dbraw/zinc/19/78/05/843197805.db2.gz CPRWDGHQHJDQHJ-FMKPAKJESA-N 2 0 294.443 1.206 10 0 CDAERP CCOCCOCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000922945143 843210137 /nfs/dbraw/zinc/21/01/37/843210137.db2.gz PPZXVULEOFAXNG-ZDUSSCGKSA-N 2 0 258.406 1.502 10 0 CDAERP C[C@@H]1C[C@H]1NC(=[NH2+])NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000864465489 843268946 /nfs/dbraw/zinc/26/89/46/843268946.db2.gz YFVTUHGSXNUCRK-JHJVBQTASA-N 2 0 268.405 1.010 10 0 CDAERP c1ccc2c(c1)cncc2C[NH2+]CCCN1CC[NH2+]CC1 ZINC000841028146 843327559 /nfs/dbraw/zinc/32/75/59/843327559.db2.gz BQQRYFFMFSUBQO-UHFFFAOYSA-N 2 0 284.407 1.620 10 0 CDAERP CC[N@H+](C)Cc1cc(O[C@H]2CCN(CCF)C2)ccn1 ZINC000856586246 843349024 /nfs/dbraw/zinc/34/90/24/843349024.db2.gz PRZFIODQUPWVEX-HNNXBMFYSA-N 2 0 281.375 1.956 10 0 CDAERP CN(CCC[NH+](C)C)CCNC(=O)C(F)=C1CCC1 ZINC000855416800 843356593 /nfs/dbraw/zinc/35/65/93/843356593.db2.gz BDMQZFZDLKSMRF-UHFFFAOYSA-N 2 0 271.380 1.394 10 0 CDAERP C([C@@H]1CCOC1)[NH+]1CCC([NH2+][C@@H]2CCCSC2)CC1 ZINC000131536316 843370311 /nfs/dbraw/zinc/37/03/11/843370311.db2.gz PKQWIKWGAZODKQ-DZGCQCFKSA-N 2 0 284.469 1.973 10 0 CDAERP CCC(C)(C)NC(=O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000091846390 843376613 /nfs/dbraw/zinc/37/66/13/843376613.db2.gz WYDZPYLUCNMEQD-UHFFFAOYSA-N 2 0 255.406 1.493 10 0 CDAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000925830384 843390489 /nfs/dbraw/zinc/39/04/89/843390489.db2.gz CXBNMXOQODCPHY-MXZCIGPVSA-N 2 0 291.395 1.303 10 0 CDAERP C[C@H]1CCC[C@](CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)([NH+](C)C)C1 ZINC000870871761 843474805 /nfs/dbraw/zinc/47/48/05/843474805.db2.gz MQRXWQHGGYQIAH-AUOOEQCUSA-N 2 0 293.455 1.741 10 0 CDAERP NC(=O)c1ccc(CC[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000866660379 843718195 /nfs/dbraw/zinc/71/81/95/843718195.db2.gz HCYLBGQNLUJTMB-ARFHVFGLSA-N 2 0 287.407 1.387 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000870895089 843723924 /nfs/dbraw/zinc/72/39/24/843723924.db2.gz UZOKRECCICAJSJ-FQLMCAECSA-N 2 0 279.428 1.304 10 0 CDAERP C[NH+](C)Cc1ccnc(NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)c1 ZINC000870899845 843739389 /nfs/dbraw/zinc/73/93/89/843739389.db2.gz VAHZHHNYPWRULI-XUJVJEKNSA-N 2 0 274.368 1.209 10 0 CDAERP CCOC(=O)N1CC[C@H]([NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925639491 843800797 /nfs/dbraw/zinc/80/07/97/843800797.db2.gz CDVQYBNFYRSNFQ-RWMBFGLXSA-N 2 0 283.416 1.713 10 0 CDAERP O[C@H](C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)C1CC1 ZINC000838812337 843805872 /nfs/dbraw/zinc/80/58/72/843805872.db2.gz JALJIXNNYVEOTG-MRXNPFEDSA-N 2 0 282.428 1.192 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000852869599 843812479 /nfs/dbraw/zinc/81/24/79/843812479.db2.gz CLDUTVIPEOCQMX-MRXNPFEDSA-N 2 0 291.439 1.773 10 0 CDAERP C[NH+](C)CCC[C@H]1CN(C(=O)CCCCC[NH3+])CCO1 ZINC000852925107 843844014 /nfs/dbraw/zinc/84/40/14/843844014.db2.gz ZPBZKJTZEBTCRQ-AWEZNQCLSA-N 2 0 285.432 1.075 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccnc(F)c1 ZINC000858187393 843872271 /nfs/dbraw/zinc/87/22/71/843872271.db2.gz UCMTWWWFYSLBDB-ZDUSSCGKSA-N 2 0 282.407 1.582 10 0 CDAERP C(N[C@H]1CC[NH2+]C12CCC2)C1([NH+]2CCCC2)CCOCC1 ZINC000925497933 843883857 /nfs/dbraw/zinc/88/38/57/843883857.db2.gz AKJFYPSHNCLPIZ-HNNXBMFYSA-N 2 0 293.455 1.506 10 0 CDAERP CCC[C@@H](C)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870022255 843889802 /nfs/dbraw/zinc/88/98/02/843889802.db2.gz PZWNIMKDIQFJIX-RBSFLKMASA-N 2 0 283.460 1.620 10 0 CDAERP CCOCCOCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000927087579 843903088 /nfs/dbraw/zinc/90/30/88/843903088.db2.gz SVDKJOMFDMYOKK-RBSFLKMASA-N 2 0 270.417 1.502 10 0 CDAERP Cc1cncn1CC(=O)O[C@@H](C[NH+](C)C)C(C)C ZINC000870564956 844702921 /nfs/dbraw/zinc/70/29/21/844702921.db2.gz NXWOFXPWYGELJW-LBPRGKRZSA-N 2 0 253.346 1.321 10 0 CDAERP C[N@@H+](Cc1ccc2cc[nH]c2c1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923413181 844710675 /nfs/dbraw/zinc/71/06/75/844710675.db2.gz CIRFYEDOCCFAQL-OAHLLOKOSA-N 2 0 285.391 1.978 10 0 CDAERP Cc1cc(F)ncc1C(=O)NCCN(C)CCC[NH+](C)C ZINC000869241664 844718671 /nfs/dbraw/zinc/71/86/71/844718671.db2.gz CRAAHCTZQAZDKN-UHFFFAOYSA-N 2 0 296.390 1.142 10 0 CDAERP C[NH+](C)CCOCC[NH2+][C@H](C1CC1)C1CCOCC1 ZINC000926256687 844730854 /nfs/dbraw/zinc/73/08/54/844730854.db2.gz YKZSNLAQGOLEFR-OAHLLOKOSA-N 2 0 270.417 1.359 10 0 CDAERP C[NH+](C)C1(CN[C@@H]2C[C@@H]([NH3+])C23CCC3)Cc2ccccc2C1 ZINC000925519721 844761548 /nfs/dbraw/zinc/76/15/48/844761548.db2.gz JGHGARIIVIOYEB-IAGOWNOFSA-N 2 0 299.462 1.945 10 0 CDAERP C[C@H]1C[NH2+]C[C@H](Nc2ccc3c(c2)C[NH2+]CCO3)C1 ZINC000843126394 844770075 /nfs/dbraw/zinc/77/00/75/844770075.db2.gz PZGQGEOLSMDVHC-BXUZGUMPSA-N 2 0 261.369 1.579 10 0 CDAERP O[C@@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccccn1 ZINC000851727785 844811174 /nfs/dbraw/zinc/81/11/74/844811174.db2.gz XIWCACHHVJTPMJ-KRWDZBQOSA-N 2 0 289.423 1.923 10 0 CDAERP [NH3+][C@@H]1CCc2ccccc2N(CCC[NH2+]C2CC2)C1 ZINC000923389208 844812798 /nfs/dbraw/zinc/81/27/98/844812798.db2.gz GMPHMFDUDZEZFU-CQSZACIVSA-N 2 0 259.397 1.909 10 0 CDAERP C[C@@H]1C[N@H+](Cc2cc(-c3cnn(C)c3)no2)CC[C@@H]1C[NH3+] ZINC000923493856 844843941 /nfs/dbraw/zinc/84/39/41/844843941.db2.gz ISPHABHMAJNATA-VXGBXAGGSA-N 2 0 289.383 1.492 10 0 CDAERP C[C@H]1NCCC[C@H]1[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000715574581 844917162 /nfs/dbraw/zinc/91/71/62/844917162.db2.gz ZIVSQOMPKRIHEA-FEWQNLEASA-N 2 0 253.434 1.979 10 0 CDAERP CC1(C)[C@H](NCCC[NH2+]C2CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925704480 844967266 /nfs/dbraw/zinc/96/72/66/844967266.db2.gz HDRPQZHINNXWEN-HZSPNIEDSA-N 2 0 251.418 1.495 10 0 CDAERP Cn1nccc1CC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925640690 844994222 /nfs/dbraw/zinc/99/42/22/844994222.db2.gz UUDKSZAONQLHCJ-VXGBXAGGSA-N 2 0 250.390 1.458 10 0 CDAERP c1ccc2c(c1)CCC[C@H]2[N@@H+]1CCNCC[NH2+]CC1 ZINC000923461479 845083406 /nfs/dbraw/zinc/08/34/06/845083406.db2.gz OWNMQKCZUBVWBA-MRXNPFEDSA-N 2 0 259.397 1.559 10 0 CDAERP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC[C@@H](N(C)C)C(F)(F)F ZINC000925837075 845090907 /nfs/dbraw/zinc/09/09/07/845090907.db2.gz NLWOULWPZIKFBD-GRYCIOLGSA-N 2 0 281.366 1.847 10 0 CDAERP C[NH+]1CCC(C[NH2+][C@@H]2CCCN(c3ncccn3)C2)CC1 ZINC000054242042 845100477 /nfs/dbraw/zinc/10/04/77/845100477.db2.gz AOMJGGQPIZDXLR-OAHLLOKOSA-N 2 0 289.427 1.377 10 0 CDAERP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CCCCC[NH3+] ZINC000094447169 845101967 /nfs/dbraw/zinc/10/19/67/845101967.db2.gz YOOULPQUHGTQFQ-UONOGXRCSA-N 2 0 267.417 1.591 10 0 CDAERP O[C@H](C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)C1CC1 ZINC000838851970 845237491 /nfs/dbraw/zinc/23/74/91/845237491.db2.gz UVBCTMYGOAPSRW-LSDHHAIUSA-N 2 0 252.402 1.708 10 0 CDAERP CCN1C[C@@H](C[NH+]2CCC(c3ncc[nH]3)CC2)OC1=O ZINC000846813959 845247938 /nfs/dbraw/zinc/24/79/38/845247938.db2.gz MIZPXJBBYOHAIU-GFCCVEGCSA-N 2 0 278.356 1.430 10 0 CDAERP CO[C@H]1CC[C@H]1[N@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000724126690 845297685 /nfs/dbraw/zinc/29/76/85/845297685.db2.gz JHXJWEOAKYTZEB-CVEARBPZSA-N 2 0 260.381 1.942 10 0 CDAERP [NH3+]CCCCCCCN1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000866718164 845306147 /nfs/dbraw/zinc/30/61/47/845306147.db2.gz YCZSEWAGODVWMQ-GJZGRUSLSA-N 2 0 253.434 1.970 10 0 CDAERP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@H](O)CC1CCCC1)C2 ZINC000703618214 845310815 /nfs/dbraw/zinc/31/08/15/845310815.db2.gz CLMVIWBWHMVSJI-RRFJBIMHSA-N 2 0 252.402 1.469 10 0 CDAERP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000724570845 845341866 /nfs/dbraw/zinc/34/18/66/845341866.db2.gz UROMLLQMKTYCSU-XJFOESAGSA-N 2 0 256.390 1.096 10 0 CDAERP CCS(=O)(=O)C[C@H](C)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000715545801 845352819 /nfs/dbraw/zinc/35/28/19/845352819.db2.gz YLSIVAHJZNRASY-HSBZDZAISA-N 2 0 290.473 1.662 10 0 CDAERP CNC(=O)CC1(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)CCCCC1 ZINC000925715077 845538580 /nfs/dbraw/zinc/53/85/80/845538580.db2.gz CJROOJATZBDDEB-KBPBESRZSA-N 2 0 293.455 1.933 10 0 CDAERP C[C@@H]1C[N@@H+]([C@H]2CCN(CC(F)(F)F)C2=O)CC[C@@H]1C[NH3+] ZINC000923496947 845549339 /nfs/dbraw/zinc/54/93/39/845549339.db2.gz KOKHHDTVCODQRI-MXWKQRLJSA-N 2 0 293.333 1.066 10 0 CDAERP CCCCOC[C@H](O)CN1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720841818 845598503 /nfs/dbraw/zinc/59/85/03/845598503.db2.gz VUJVKWPFEVSORT-UTUOFQBUSA-N 2 0 298.349 1.233 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925699893 845628181 /nfs/dbraw/zinc/62/81/81/845628181.db2.gz LVKUAMLFWKNGSN-RFQIPJPRSA-N 3 0 253.434 1.870 10 0 CDAERP C[NH+]1CCC2(CCC[N@H+](CCOC3CCOCC3)C2)CC1 ZINC000859290946 845641071 /nfs/dbraw/zinc/64/10/71/845641071.db2.gz CFCCXCKJSNFRCS-UHFFFAOYSA-N 2 0 296.455 1.990 10 0 CDAERP CCO[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C[NH+](C)C ZINC000925839026 845656008 /nfs/dbraw/zinc/65/60/08/845656008.db2.gz OVDQBNOWSDUDSF-FXUDXRNXSA-N 2 0 283.460 1.463 10 0 CDAERP Cc1nc2c(o1)CCC[C@H]2[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000925111383 845662577 /nfs/dbraw/zinc/66/25/77/845662577.db2.gz CGZAEFGBASJVMV-GFCCVEGCSA-N 2 0 279.384 1.407 10 0 CDAERP FC1(C2CC2)CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923440639 845667922 /nfs/dbraw/zinc/66/79/22/845667922.db2.gz LSFOXMXGPJPVLU-CYBMUJFWSA-N 2 0 268.376 1.579 10 0 CDAERP C[C@](C[NH3+])([NH2+]C[C@@H]1CC2(CO1)CCOCC2)C1CC1 ZINC000872141700 845672022 /nfs/dbraw/zinc/67/20/22/845672022.db2.gz OVJGGUKDYLLJLA-UONOGXRCSA-N 2 0 268.401 1.289 10 0 CDAERP CO[C@H]1C[C@@H](C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)C1 ZINC000872144879 845730482 /nfs/dbraw/zinc/73/04/82/845730482.db2.gz KVLWODXVZLMYQK-UKMLZYKCSA-N 2 0 282.428 1.630 10 0 CDAERP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)[C@@H]1CCCOC1 ZINC000723973159 845758347 /nfs/dbraw/zinc/75/83/47/845758347.db2.gz DHSOOIHHEDTAND-OAGGEKHMSA-N 2 0 284.444 1.628 10 0 CDAERP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)C1 ZINC000923428515 845771690 /nfs/dbraw/zinc/77/16/90/845771690.db2.gz HXELZMOPODDVQI-YXMSTPNBSA-N 2 0 258.365 1.111 10 0 CDAERP C[C@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH+]1CCCC1 ZINC000810093548 845780477 /nfs/dbraw/zinc/78/04/77/845780477.db2.gz HMBGXXIZTITJBJ-CJNGLKHVSA-N 2 0 299.434 1.799 10 0 CDAERP COCc1ccc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)o1 ZINC000723907356 845780961 /nfs/dbraw/zinc/78/09/61/845780961.db2.gz ADQNBVJGHSJOJF-VXGBXAGGSA-N 2 0 252.358 1.843 10 0 CDAERP Cc1ccc([C@H](C)C(=O)NCCN(C)CCC[NH+](C)C)o1 ZINC000855415366 845812956 /nfs/dbraw/zinc/81/29/56/845812956.db2.gz WLGDFCWDMLDAIE-AWEZNQCLSA-N 2 0 295.427 1.691 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccnnc1 ZINC000925240833 845814807 /nfs/dbraw/zinc/81/48/07/845814807.db2.gz LHRGNUZCFHQIPX-GXTWGEPZSA-N 2 0 266.389 1.484 10 0 CDAERP CCC1([NH+](C)C)CCN(C[C@@H]([NH3+])CC(F)F)CC1 ZINC000715177383 845825935 /nfs/dbraw/zinc/82/59/35/845825935.db2.gz ITLUPKFCGLIGAM-NSHDSACASA-N 2 0 263.376 1.775 10 0 CDAERP Nc1cnc(CN2CCC(C[NH+]3CCCC3)CC2)cn1 ZINC000231299380 845838063 /nfs/dbraw/zinc/83/80/63/845838063.db2.gz XMDIURQGKGFLOF-UHFFFAOYSA-N 2 0 275.400 1.367 10 0 CDAERP [NH3+]Cc1ccc2c(c1)CCCN2C(=O)C[NH2+]C1CC1 ZINC000841848719 845900394 /nfs/dbraw/zinc/90/03/94/845900394.db2.gz QELDZUWTVHVISL-UHFFFAOYSA-N 2 0 259.353 1.177 10 0 CDAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CO[C@@H](C)[C@@H]1C ZINC000926199169 846097177 /nfs/dbraw/zinc/09/71/77/846097177.db2.gz CHWKSVGCZGXQCG-CBBWQLFWSA-N 2 0 269.433 1.025 10 0 CDAERP C[NH+](C)CCOCC[NH2+]Cc1c(Cl)n[nH]c1C1CC1 ZINC000922007086 846124365 /nfs/dbraw/zinc/12/43/65/846124365.db2.gz FVLRQVFTSNVFAR-UHFFFAOYSA-N 2 0 286.807 1.608 10 0 CDAERP CNc1cc(N[C@H]2CCC[N@@H+]3CCSC[C@H]23)ncn1 ZINC000720433035 846151378 /nfs/dbraw/zinc/15/13/78/846151378.db2.gz AVHPSDJDRXNZMC-WDEREUQCSA-N 2 0 279.413 1.510 10 0 CDAERP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H](CO)Cc1ccccc1)[NH2+]2 ZINC000709414790 846179083 /nfs/dbraw/zinc/17/90/83/846179083.db2.gz BMIAEHYPVGBJOJ-RDDKANTKSA-N 2 0 274.408 1.709 10 0 CDAERP CC(C)C[N@H+](C)CCCN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925708157 846186820 /nfs/dbraw/zinc/18/68/20/846186820.db2.gz GBYCJQFQEJXNHI-GVRJEKJASA-N 2 0 265.445 1.550 10 0 CDAERP [NH3+]CCOCC[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923505473 846195837 /nfs/dbraw/zinc/19/58/37/846195837.db2.gz CBBSNSOIHMWTSL-AWEZNQCLSA-N 3 0 269.433 1.063 10 0 CDAERP CC(C)(O)C[N@@H+]1CC[C@H](N[C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000925725382 846216311 /nfs/dbraw/zinc/21/63/11/846216311.db2.gz SXIMCWJMVMXHRD-XGUBFFRZSA-N 2 0 295.471 1.198 10 0 CDAERP COC(CC[NH+]1CCN(c2cc[nH+]cc2)CC1)OC ZINC000851811187 846258153 /nfs/dbraw/zinc/25/81/53/846258153.db2.gz SOXIJBILLLPRAQ-UHFFFAOYSA-N 2 0 265.357 1.213 10 0 CDAERP CC(C)C(=O)N1CCC([NH2+]CC2CC[NH+](C)CC2)CC1 ZINC000054242613 846284718 /nfs/dbraw/zinc/28/47/18/846284718.db2.gz HREJIZRBSLGPDR-UHFFFAOYSA-N 2 0 281.444 1.565 10 0 CDAERP CCCCOC[C@H](O)C[N@H+](C)C1(C[NH3+])CCCCC1 ZINC000713315154 846317411 /nfs/dbraw/zinc/31/74/11/846317411.db2.gz GHOMJSXDTCIMAY-CQSZACIVSA-N 2 0 272.433 1.757 10 0 CDAERP C[N@H+](C[C@@H]1CC2(CO1)CCOCC2)CC(C)(C)C[NH3+] ZINC000712696040 846409770 /nfs/dbraw/zinc/40/97/70/846409770.db2.gz UBMKUDFQTVWXDU-ZDUSSCGKSA-N 2 0 270.417 1.489 10 0 CDAERP OCCN1CCC([NH2+][C@H](C2CCC2)[C@@H]2CCOC2)CC1 ZINC000711870365 846422510 /nfs/dbraw/zinc/42/25/10/846422510.db2.gz NAZWTPZXFUCQTK-GDBMZVCRSA-N 2 0 282.428 1.238 10 0 CDAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CC(C(N)=O)C1 ZINC000716747281 846431612 /nfs/dbraw/zinc/43/16/12/846431612.db2.gz XGXSOROSDRPTPI-CQLXCSJHSA-N 2 0 253.390 1.151 10 0 CDAERP CCOC(=O)C1=CC[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000863544337 846485776 /nfs/dbraw/zinc/48/57/76/846485776.db2.gz QUSOLLATXJREAQ-XQQFMLRXSA-N 2 0 252.358 1.498 10 0 CDAERP CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)CC)[C@H]1CCCOC1 ZINC000724004351 846529834 /nfs/dbraw/zinc/52/98/34/846529834.db2.gz RAZLEEYLZNYBIL-IHRRRGAJSA-N 2 0 258.406 1.094 10 0 CDAERP COc1ccc([C@H](CCO)[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925615102 846604699 /nfs/dbraw/zinc/60/46/99/846604699.db2.gz LJVLCYUFFSXOQL-ARFHVFGLSA-N 2 0 290.407 1.978 10 0 CDAERP [NH3+]C[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@@H]1C(F)(F)F ZINC000720869824 846611282 /nfs/dbraw/zinc/61/12/82/846611282.db2.gz FUHNJWCDCVSIDI-MXWKQRLJSA-N 2 0 266.307 1.482 10 0 CDAERP COc1ccccc1[C@H](O)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000848718162 846648566 /nfs/dbraw/zinc/64/85/66/846648566.db2.gz YUIAMKOJXUVROL-YRGRVCCFSA-N 2 0 264.369 1.588 10 0 CDAERP C[C@@H]1CCC[N@H+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)[C@@H]1CC[NH3+] ZINC000724591388 846724482 /nfs/dbraw/zinc/72/44/82/846724482.db2.gz OIRAXVKPEAQIRP-QMIVOQANSA-N 2 0 268.401 1.240 10 0 CDAERP COCC[N@H+](C)CCC[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1 ZINC000924653301 846765518 /nfs/dbraw/zinc/76/55/18/846765518.db2.gz IRGVHTGVCGLFII-CVEARBPZSA-N 2 0 284.444 1.750 10 0 CDAERP CSC[C@H](O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000923328741 846792254 /nfs/dbraw/zinc/79/22/54/846792254.db2.gz NGBIKQMWXHPZHQ-YNEHKIRRSA-N 2 0 258.431 1.174 10 0 CDAERP CCCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000708140264 846857690 /nfs/dbraw/zinc/85/76/90/846857690.db2.gz HMPFAEIDIRGLEK-JHJVBQTASA-N 2 0 255.406 1.208 10 0 CDAERP O=C(CC[C@H]1CCC[NH2+]C1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000857005120 846896909 /nfs/dbraw/zinc/89/69/09/846896909.db2.gz WDVPSLSPXZKSPN-GDBMZVCRSA-N 2 0 279.428 1.368 10 0 CDAERP CC[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@@H]1CCCOC1 ZINC000872042224 846976158 /nfs/dbraw/zinc/97/61/58/846976158.db2.gz ZRIQKCJERQGBEW-NVXWUHKLSA-N 2 0 297.487 1.807 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)NC2CCCCC2)C[C@H]1CC[NH3+] ZINC000723893920 847006379 /nfs/dbraw/zinc/00/63/79/847006379.db2.gz GIUMHFARAVICOV-CHWSQXEVSA-N 2 0 267.417 1.352 10 0 CDAERP C[C@@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)[C@H](O)c1ccc2c(c1)OCO2 ZINC000817927341 847008307 /nfs/dbraw/zinc/00/83/07/847008307.db2.gz JPORROISDZJQGS-LMCGPQHNSA-N 2 0 280.368 1.553 10 0 CDAERP C[C@@H]1CN(C(=[NH2+])NCCCC[N@@H+]2CCCC[C@H]2C)CCO1 ZINC000848989576 847022035 /nfs/dbraw/zinc/02/20/35/847022035.db2.gz XXGGTRDBUTVUKL-HUUCEWRRSA-N 2 0 296.459 1.886 10 0 CDAERP C[N@@H+]1CCC[C@@H](CN[C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000925554846 847069056 /nfs/dbraw/zinc/06/90/56/847069056.db2.gz DHLKJZCIVYZMPG-LJISPDSOSA-N 2 0 265.445 1.694 10 0 CDAERP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723902373 847153282 /nfs/dbraw/zinc/15/32/82/847153282.db2.gz WJZLBTLMRABCGN-FRRDWIJNSA-N 2 0 269.433 1.596 10 0 CDAERP c1cc(C[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)n(-c2cc[nH+]cc2)n1 ZINC000865697159 847189493 /nfs/dbraw/zinc/18/94/93/847189493.db2.gz VVGSQJOTXVCEIN-PASATYPHSA-N 2 0 296.374 1.780 10 0 CDAERP COC(=O)c1cc(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)n(C)c1C ZINC000925765637 847205225 /nfs/dbraw/zinc/20/52/25/847205225.db2.gz FXSPDUZGSNQHQQ-KGLIPLIRSA-N 2 0 291.395 1.480 10 0 CDAERP Cc1cccc(NC(=[NH2+])NCCN2CCCOCC2)c1 ZINC000849021148 847228888 /nfs/dbraw/zinc/22/88/88/847228888.db2.gz UJLYLQWRGUGLEJ-UHFFFAOYSA-N 2 0 276.384 1.654 10 0 CDAERP C(CC[NH+]1CCOCC1)C[NH2+][C@@H]1CCCSC1 ZINC000783502681 847476991 /nfs/dbraw/zinc/47/69/91/847476991.db2.gz OGUDVGXRRIDSSO-CYBMUJFWSA-N 2 0 258.431 1.584 10 0 CDAERP Cc1nc([C@@H](C)[NH2+]CCN2CCC([NH3+])CC2)c(C)s1 ZINC000925815433 847479713 /nfs/dbraw/zinc/47/97/13/847479713.db2.gz QRZZRGFZRKALHG-SNVBAGLBSA-N 2 0 282.457 1.834 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000710985838 847504188 /nfs/dbraw/zinc/50/41/88/847504188.db2.gz ZHSCUUDDGGWHBX-AVGNSLFASA-N 2 0 253.390 1.057 10 0 CDAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC000844196623 847525447 /nfs/dbraw/zinc/52/54/47/847525447.db2.gz MHZNWFMNTNNNDS-KBPBESRZSA-N 2 0 267.417 1.367 10 0 CDAERP CCOC(=O)CCCC[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872152548 847561789 /nfs/dbraw/zinc/56/17/89/847561789.db2.gz SZCIOMPCALYRIH-WDEREUQCSA-N 2 0 296.333 1.789 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@H](O)c2ccc(F)c(F)c2)C1 ZINC000848676942 847595110 /nfs/dbraw/zinc/59/51/10/847595110.db2.gz WYROTNGKOGQSTB-NVBFEUDRSA-N 2 0 284.350 1.928 10 0 CDAERP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCOC[C@@H]2C(C)C)C1 ZINC000924705068 847601457 /nfs/dbraw/zinc/60/14/57/847601457.db2.gz KIXNDOBUIRYQQD-KFWWJZLASA-N 2 0 254.418 1.979 10 0 CDAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925642123 847616488 /nfs/dbraw/zinc/61/64/88/847616488.db2.gz QEEOHCZVOFURLN-PMPSAXMXSA-N 3 0 296.503 1.508 10 0 CDAERP CC[N@H+](CCc1ccccn1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000852746039 847681795 /nfs/dbraw/zinc/68/17/95/847681795.db2.gz HFXDGQGKDPEAMJ-OAHLLOKOSA-N 2 0 275.396 1.467 10 0 CDAERP c1nc(CN2CC[NH2+]CC[NH2+]CC2)oc1-c1ccccc1 ZINC000923463807 847713495 /nfs/dbraw/zinc/71/34/95/847713495.db2.gz VTNYRALVURBPSY-UHFFFAOYSA-N 2 0 286.379 1.336 10 0 CDAERP CC[C@@H]([NH2+]C)C(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000852797596 847778292 /nfs/dbraw/zinc/77/82/92/847778292.db2.gz XJQSJONMHFPZMY-CYBMUJFWSA-N 2 0 261.369 1.423 10 0 CDAERP CC(C)CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723901067 847781923 /nfs/dbraw/zinc/78/19/23/847781923.db2.gz MUKOKKJQACMDFX-HZSPNIEDSA-N 2 0 269.433 1.454 10 0 CDAERP CC[C@@H]1CC[C@@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925846187 847786332 /nfs/dbraw/zinc/78/63/32/847786332.db2.gz LMBHUNYIAJPRPY-CABCVRRESA-N 2 0 253.434 1.840 10 0 CDAERP [NH3+][C@H]1C[C@@H](C[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000703535869 847829829 /nfs/dbraw/zinc/82/98/29/847829829.db2.gz TWPZSRGJOWMXQU-IYBDPMFKSA-N 2 0 259.397 1.542 10 0 CDAERP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H]2CCC3(COC3)O2)C1 ZINC000929762122 847858018 /nfs/dbraw/zinc/85/80/18/847858018.db2.gz CPADIEYHOSTRPO-JKSUJKDBSA-N 2 0 294.439 1.598 10 0 CDAERP CC(C)N(C(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1)C(C)C ZINC000923501761 847934985 /nfs/dbraw/zinc/93/49/85/847934985.db2.gz VFYIQZSSHPEHOB-ILXRZTDVSA-N 2 0 283.460 1.937 10 0 CDAERP CC(C)c1cccc(CN2CC[NH2+]CC[NH2+]CC2)c1 ZINC000923461416 847939818 /nfs/dbraw/zinc/93/98/18/847939818.db2.gz WSKGDHZWABOSNH-UHFFFAOYSA-N 2 0 261.413 1.805 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000925335242 847953511 /nfs/dbraw/zinc/95/35/11/847953511.db2.gz SLIWXYBICXODQV-QWHCGFSZSA-N 2 0 270.421 1.062 10 0 CDAERP CCCCCC[N@H+](C)CC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000834636419 847958682 /nfs/dbraw/zinc/95/86/82/847958682.db2.gz OJHUOEMBQLGNRH-KGLIPLIRSA-N 2 0 269.433 1.613 10 0 CDAERP CC[NH2+][C@@H]1CC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001565907235 1168198579 /nfs/dbraw/zinc/19/85/79/1168198579.db2.gz ZMWAYDOOBYRONV-QWHCGFSZSA-N 2 0 267.417 1.223 10 0 CDAERP CC[N@H+](CCCNC(=O)C[NH+]1CC[C@H](C)C1)CC1CC1 ZINC001566564958 1168338068 /nfs/dbraw/zinc/33/80/68/1168338068.db2.gz JVYWVYIBYUDXDB-AWEZNQCLSA-N 2 0 281.444 1.566 10 0 CDAERP CCC[NH2+]C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001567130155 1168587840 /nfs/dbraw/zinc/58/78/40/1168587840.db2.gz GHQMJRKKOWPSQO-CQSZACIVSA-N 2 0 279.428 1.463 10 0 CDAERP COCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001483734012 913238297 /nfs/dbraw/zinc/23/82/97/913238297.db2.gz MGOAEZIGZPOXCH-AWEZNQCLSA-N 2 0 297.443 1.134 10 0 CDAERP CC[N@H+](C)CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001266288983 894168159 /nfs/dbraw/zinc/16/81/59/894168159.db2.gz XIHOAQRTGSFGNW-QWHCGFSZSA-N 2 0 253.390 1.071 10 0 CDAERP CCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001266308393 894324968 /nfs/dbraw/zinc/32/49/68/894324968.db2.gz VLYJJEAATRLAEJ-KBPBESRZSA-N 2 0 267.417 1.461 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]1CC=C(C)C ZINC001266492143 895045211 /nfs/dbraw/zinc/04/52/11/895045211.db2.gz JDUXOPBXIJFXQV-OAHLLOKOSA-N 2 0 281.444 1.875 10 0 CDAERP OCCCCCC[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001176105857 913959612 /nfs/dbraw/zinc/95/96/12/913959612.db2.gz PQILYSUNWJCMJR-UHFFFAOYSA-N 2 0 284.444 1.772 10 0 CDAERP CCCC[NH2+]C[C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001266816342 896112655 /nfs/dbraw/zinc/11/26/55/896112655.db2.gz AOUQMCJAMLWSGM-HZPDHXFCSA-N 2 0 295.471 1.957 10 0 CDAERP CCOCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001267015425 896567749 /nfs/dbraw/zinc/56/77/49/896567749.db2.gz ZLWPFNYNJGJIQY-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CN(CC[NH2+]Cc1ccc(F)cn1)C(=O)CCC[NH+](C)C ZINC001567551324 1168850721 /nfs/dbraw/zinc/85/07/21/1168850721.db2.gz ADVUYDFZTRVYQU-UHFFFAOYSA-N 2 0 296.390 1.111 10 0 CDAERP COC[C@H](C)[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001418834923 897146039 /nfs/dbraw/zinc/14/60/39/897146039.db2.gz UHMGHFHJCJDYEP-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP CC[N@H+](CCNC(=O)C12CCC[NH+]1CCC2)CC[C@H](C)F ZINC001480985978 898431568 /nfs/dbraw/zinc/43/15/68/898431568.db2.gz MRJOSUBDCJUFLA-AWEZNQCLSA-N 2 0 299.434 1.801 10 0 CDAERP CCCC[N@H+](CC)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001481012040 898493072 /nfs/dbraw/zinc/49/30/72/898493072.db2.gz SETSJXPGBPHENC-CQSZACIVSA-N 2 0 269.433 1.566 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@@H+](C/C=C/Cl)C1 ZINC001481125006 898936791 /nfs/dbraw/zinc/93/67/91/898936791.db2.gz ZKOSQXVNPGATQW-MASHWEEQSA-N 2 0 285.819 1.273 10 0 CDAERP C[C@@H]1CC[C@H](C[NH2+]CCN(C)C(=O)C2([NH+](C)C)CCC2)O1 ZINC001481239246 899570322 /nfs/dbraw/zinc/57/03/22/899570322.db2.gz NCNDUSWPHZBBRX-ZIAGYGMSSA-N 2 0 297.443 1.086 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)CC[NH2+]C/C=C/Cl)[NH+](C)C ZINC001481243109 899600711 /nfs/dbraw/zinc/60/07/11/899600711.db2.gz FJXSYKVUVHWXID-SYTKJHMZSA-N 2 0 275.824 1.373 10 0 CDAERP CC1CC[NH+](CC(=O)N(C)CC[NH2+]CC2CC2)CC1 ZINC001481294816 900217505 /nfs/dbraw/zinc/21/75/05/900217505.db2.gz HBPOFJRPYXZHMA-UHFFFAOYSA-N 2 0 267.417 1.176 10 0 CDAERP C[C@@H](C[NH2+]CCC1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268099928 901287072 /nfs/dbraw/zinc/28/70/72/901287072.db2.gz JEAGKJLJSYUUED-GXTWGEPZSA-N 2 0 267.417 1.175 10 0 CDAERP CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001268107213 901302903 /nfs/dbraw/zinc/30/29/03/901302903.db2.gz WKUVRDIAUFPSCB-OLZOCXBDSA-N 2 0 255.406 1.221 10 0 CDAERP CC(C)=CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001268142217 901396889 /nfs/dbraw/zinc/39/68/89/901396889.db2.gz OJRPIRALZLJDNS-HZPDHXFCSA-N 2 0 293.455 1.875 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CC[NH2+]CCF)CC[N@@H+]1C ZINC001268157292 901441082 /nfs/dbraw/zinc/44/10/82/901441082.db2.gz WWQLWYFGFQEULK-RBSFLKMASA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001481692932 901809940 /nfs/dbraw/zinc/80/99/40/901809940.db2.gz HQECDMZWOPLEIB-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC[C@@H](C)F)C1)[NH+](C)C ZINC001481703485 901845938 /nfs/dbraw/zinc/84/59/38/901845938.db2.gz NOMAXWHGEXKVMM-MCIONIFRSA-N 2 0 287.423 1.511 10 0 CDAERP CC[C@@H](F)C[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001268438500 902056405 /nfs/dbraw/zinc/05/64/05/902056405.db2.gz JCHJQKIERMJXFD-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP CCCC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268543011 902537878 /nfs/dbraw/zinc/53/78/78/902537878.db2.gz UFKAODOPRWTEOQ-JLVOYYQZSA-N 2 0 267.417 1.389 10 0 CDAERP CCC[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001268550633 902551639 /nfs/dbraw/zinc/55/16/39/902551639.db2.gz ZIQGGYHUMUIVHW-GEXIGZQTSA-N 2 0 267.417 1.533 10 0 CDAERP CC(C)C[NH2+]C[C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001482109967 902652203 /nfs/dbraw/zinc/65/22/03/902652203.db2.gz LAUBHXTUYONHFI-GJZGRUSLSA-N 2 0 283.460 1.859 10 0 CDAERP CN(CCC[NH2+]C[C@H]1CCCCO1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001498525719 902721588 /nfs/dbraw/zinc/72/15/88/902721588.db2.gz DHBVEOIKNUCJFG-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CC[NH2+]C[C@@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001268652498 902899527 /nfs/dbraw/zinc/89/95/27/902899527.db2.gz MGSUEJKYDUHVCS-GFCCVEGCSA-N 2 0 269.433 1.754 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C)C[N@H+](C)CC)[NH+](CC)CC ZINC001268746042 903075947 /nfs/dbraw/zinc/07/59/47/903075947.db2.gz HZFBXVUMCCAFDZ-OLZOCXBDSA-N 2 0 257.422 1.563 10 0 CDAERP CC[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CCCC1 ZINC001482226848 903884489 /nfs/dbraw/zinc/88/44/89/903884489.db2.gz XRWGCGCPSSAVRA-UHFFFAOYSA-N 2 0 281.444 1.899 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CCC2(CCC[N@@H+]2C)CC1 ZINC001362733699 904009073 /nfs/dbraw/zinc/00/90/73/904009073.db2.gz YNTHWBNDDPFEOC-CQSZACIVSA-N 2 0 281.444 1.661 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]CC2CC2)CCN1C(=O)CC[NH+](C)C ZINC001269960913 904236258 /nfs/dbraw/zinc/23/62/58/904236258.db2.gz SPWDVDODLWUKQZ-JSGCOSHPSA-N 2 0 267.417 1.317 10 0 CDAERP COCC[NH2+][C@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001269991025 904250715 /nfs/dbraw/zinc/25/07/15/904250715.db2.gz FERHUBDELIYURR-HDJSIYSDSA-N 2 0 297.443 1.134 10 0 CDAERP COCCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001269989525 904254240 /nfs/dbraw/zinc/25/42/40/904254240.db2.gz SWJKYPFIAMPLNO-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP C[NH+]1CCC(C(=O)N2CC[C@@H](CC[NH2+]CCCF)C2)CC1 ZINC001280174368 904407713 /nfs/dbraw/zinc/40/77/13/904407713.db2.gz XITPAABEYGGXSD-CQSZACIVSA-N 2 0 299.434 1.516 10 0 CDAERP C[C@H](C[NH2+]CCF)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001482316895 904951963 /nfs/dbraw/zinc/95/19/63/904951963.db2.gz MMGGZQDYEWBYBH-GFCCVEGCSA-N 2 0 273.396 1.267 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]CC[C@H]1CCOC1 ZINC001482369209 905219458 /nfs/dbraw/zinc/21/94/58/905219458.db2.gz LZZXQGILAJSQIU-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1CC[NH2+]CCF ZINC001482458298 905668583 /nfs/dbraw/zinc/66/85/83/905668583.db2.gz DBSPUJXAFULGCV-CQSZACIVSA-N 2 0 287.423 1.659 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1C[C@H](C)[C@@H](C[NH2+]CCF)C1 ZINC001271700105 906606692 /nfs/dbraw/zinc/60/66/92/906606692.db2.gz PIRGCYLEBISAOV-KBPBESRZSA-N 2 0 287.423 1.372 10 0 CDAERP Cc1ncccc1C[NH2+]CC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001272993819 921349582 /nfs/dbraw/zinc/34/95/82/921349582.db2.gz KIRBWLICVULLDK-CYBMUJFWSA-N 2 0 292.427 1.326 10 0 CDAERP C[C@@H](CC[NH2+]CC[C@@H]1CCCO1)NC(=O)C[NH+]1CCCC1 ZINC001482899667 908467032 /nfs/dbraw/zinc/46/70/32/908467032.db2.gz UKSZYDTVDVXAEK-GJZGRUSLSA-N 2 0 297.443 1.136 10 0 CDAERP CCC[NH2+]CC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482893000 908471553 /nfs/dbraw/zinc/47/15/53/908471553.db2.gz ZILKOUCIZIMMHH-QWHCGFSZSA-N 2 0 255.406 1.223 10 0 CDAERP CC(C)=CC[NH2+]C/C=C/CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001483060977 909207502 /nfs/dbraw/zinc/20/75/02/909207502.db2.gz REPGIOHYEXAZOX-RGDDUWESSA-N 2 0 279.428 1.556 10 0 CDAERP CC[NH2+]CC1CC(NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001409271059 909377904 /nfs/dbraw/zinc/37/79/04/909377904.db2.gz ZCNYHTPQOWERPH-WXRRBKDZSA-N 2 0 273.396 1.171 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@](C)(C[NH2+]CCF)C1CC1 ZINC001568033497 1169125015 /nfs/dbraw/zinc/12/50/15/1169125015.db2.gz GVOXWTQENSQMCC-AWEZNQCLSA-N 2 0 273.396 1.171 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001483385498 911044738 /nfs/dbraw/zinc/04/47/38/911044738.db2.gz XFVQOILWAMZITN-LSDHHAIUSA-N 2 0 281.444 1.731 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CC[NH+](C)C ZINC001483440986 911120480 /nfs/dbraw/zinc/12/04/80/911120480.db2.gz HLFSTBULHCJWMI-GJZGRUSLSA-N 2 0 283.460 1.859 10 0 CDAERP CCCC[NH2+]C[C@@H](NC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001483567303 911268224 /nfs/dbraw/zinc/26/82/24/911268224.db2.gz ZNDFWCBGQQMHBL-CQSZACIVSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CCCF)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001483907885 915202929 /nfs/dbraw/zinc/20/29/29/915202929.db2.gz FSYYDUYCTRLVRQ-HIFRSBDPSA-N 2 0 299.434 1.657 10 0 CDAERP CC[C@@H](C(=O)N1CC[C@](C)(C[NH2+]CCCOC)C1)[NH+](C)C ZINC001484116321 915440356 /nfs/dbraw/zinc/44/03/56/915440356.db2.gz ZNRXXVPWAQJSDX-GOEBONIOSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001484565185 915886782 /nfs/dbraw/zinc/88/67/82/915886782.db2.gz OMAACUNUJCKIRE-KKUMJFAQSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@H](F)C[NH2+]C1(CNC(=O)C[N@H+](C)C2CCC2)CCC1 ZINC001484637723 915989894 /nfs/dbraw/zinc/98/98/94/915989894.db2.gz ONBNHTOCROOZDZ-ZDUSSCGKSA-N 2 0 299.434 1.847 10 0 CDAERP CC(C)=CC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001484897160 916250701 /nfs/dbraw/zinc/25/07/01/916250701.db2.gz HJVJEOKSGATYGY-GOEBONIOSA-N 2 0 293.455 1.731 10 0 CDAERP CC[C@H](F)C[N@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001485068347 916448765 /nfs/dbraw/zinc/44/87/65/916448765.db2.gz CZFRKKOUYRZPPB-KBPBESRZSA-N 2 0 287.423 1.609 10 0 CDAERP CC[C@@H](C)C[NH2+]CC1CC(NC(=O)CC[NH+](C)C)C1 ZINC001485101752 916498365 /nfs/dbraw/zinc/49/83/65/916498365.db2.gz ZGWAAEDDZIQCOG-IYXRBSQSSA-N 2 0 269.433 1.469 10 0 CDAERP C[C@@H](NC(=O)CC1CC[NH+](C)CC1)[C@H](C)[NH2+]CCCF ZINC001485198412 916640758 /nfs/dbraw/zinc/64/07/58/916640758.db2.gz HZQFCXYJEQYAJC-QWHCGFSZSA-N 2 0 287.423 1.561 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001485225025 916681501 /nfs/dbraw/zinc/68/15/01/916681501.db2.gz HCDAZAVYXCQJQU-UONOGXRCSA-N 2 0 267.417 1.531 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)CC1CCC1 ZINC001485305247 916817434 /nfs/dbraw/zinc/81/74/34/916817434.db2.gz BMAHBJMWNOQREQ-GZBFAFLISA-N 2 0 281.444 1.563 10 0 CDAERP O=C(Cc1ncc[nH]1)NC1(C[NH2+]CC2CC2)CCCCC1 ZINC001485458141 916989668 /nfs/dbraw/zinc/98/96/68/916989668.db2.gz ZCOGZGTYYOYMOA-UHFFFAOYSA-N 2 0 290.411 1.771 10 0 CDAERP CC(C)[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001485811545 917490518 /nfs/dbraw/zinc/49/05/18/917490518.db2.gz OIGDMIIKQHIOLD-HOTGVXAUSA-N 2 0 293.455 1.563 10 0 CDAERP CN(C(=O)[C@H]1CCCC[N@@H+]1C)[C@@H](C[NH2+]CCCF)C1CC1 ZINC001485815634 917653652 /nfs/dbraw/zinc/65/36/52/917653652.db2.gz MWVNPNYSTRTCEN-CABCVRRESA-N 2 0 299.434 1.657 10 0 CDAERP CCC[N@@H+]1CCC[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001366900243 918063786 /nfs/dbraw/zinc/06/37/86/918063786.db2.gz ACOQITOMHGQGAP-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CC[NH2+]CCF)CC[N@@H+]1C ZINC001272791219 919292751 /nfs/dbraw/zinc/29/27/51/919292751.db2.gz NSAFPVYSMKIKBJ-RWMBFGLXSA-N 2 0 273.396 1.171 10 0 CDAERP C[NH+](C)C1(C)CCC(NC(=O)CCCCC[NH3+])CC1 ZINC000715574570 919895251 /nfs/dbraw/zinc/89/52/51/919895251.db2.gz ZFLJOFQZDWXZIO-UHFFFAOYSA-N 2 0 269.433 1.885 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ocnc1C)[NH+](C)C ZINC001272865168 919926977 /nfs/dbraw/zinc/92/69/77/919926977.db2.gz KEZMTRSKGCFSSS-WCQYABFASA-N 2 0 296.415 1.308 10 0 CDAERP CC(C)[NH2+]CCCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001276400300 936627297 /nfs/dbraw/zinc/62/72/97/936627297.db2.gz WLTXYDOGHLYVRY-UHFFFAOYSA-N 2 0 269.433 1.709 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CCF)C1 ZINC001485911034 920566635 /nfs/dbraw/zinc/56/66/35/920566635.db2.gz DXLFPMTTXZFYAD-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP CC[C@@H](C)C[NH2+][C@@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001485920488 920578468 /nfs/dbraw/zinc/57/84/68/920578468.db2.gz UGUDWCQVQUMIGY-OLZOCXBDSA-N 2 0 257.422 1.421 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CC=C(C)C)C[C@H]1C ZINC001486130757 920736739 /nfs/dbraw/zinc/73/67/39/920736739.db2.gz SRHOJJNAWQIXGD-CABCVRRESA-N 2 0 281.444 1.873 10 0 CDAERP CCOCC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001486424061 920994729 /nfs/dbraw/zinc/99/47/29/920994729.db2.gz QECRGYGCVMMRBG-UONOGXRCSA-N 2 0 299.459 1.095 10 0 CDAERP CC[C@H](F)C[NH2+]C1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001486475656 921053078 /nfs/dbraw/zinc/05/30/78/921053078.db2.gz UYLKAXIOXUPQEV-NFOMZHRRSA-N 2 0 299.434 1.655 10 0 CDAERP CC[C@@H](C[NH2+]C1CC(N(C)C(=O)C[NH+]2CCCC2)C1)OC ZINC001486482522 921059162 /nfs/dbraw/zinc/05/91/62/921059162.db2.gz HJUNFOALSSNPDL-NRXISQOPSA-N 2 0 297.443 1.086 10 0 CDAERP CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]CC1CCC1)[NH+](C)C ZINC001568312608 1169239084 /nfs/dbraw/zinc/23/90/84/1169239084.db2.gz NZMMYUCKRURDAU-TZMCWYRMSA-N 2 0 269.433 1.563 10 0 CDAERP CCC/C=C/CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001491324591 936895020 /nfs/dbraw/zinc/89/50/20/936895020.db2.gz ABUHLWKHOADGQB-BFKJXESTSA-N 2 0 293.455 1.731 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001488828255 926713682 /nfs/dbraw/zinc/71/36/82/926713682.db2.gz JQWWUNVOKHVLPO-UXXRCYHCSA-N 2 0 299.434 1.559 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001488850132 926721465 /nfs/dbraw/zinc/72/14/65/926721465.db2.gz WONBOWCWQXXQFR-RBSFLKMASA-N 2 0 295.471 1.859 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]CC=C(C)C)C1 ZINC001488870373 926730017 /nfs/dbraw/zinc/73/00/17/926730017.db2.gz JUFJJVOPYIKTEE-SHTZXODSSA-N 2 0 281.444 1.779 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)CC(C)(C)C1 ZINC001489347430 926878871 /nfs/dbraw/zinc/87/88/71/926878871.db2.gz MNESMXZIXFKWFG-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H]([NH2+]CCF)[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001490310786 927110331 /nfs/dbraw/zinc/11/03/31/927110331.db2.gz UBGWKCWATCNLNW-KBPBESRZSA-N 2 0 285.407 1.411 10 0 CDAERP CC(C)OCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001490430150 927177310 /nfs/dbraw/zinc/17/73/10/927177310.db2.gz BMCLDGXDDLTZQW-GJZGRUSLSA-N 2 0 297.443 1.086 10 0 CDAERP C[C@H](F)CC[NH2+]C1CC(N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001411243364 927299855 /nfs/dbraw/zinc/29/98/55/927299855.db2.gz CKGVKBQTDFACOH-HSBZDZAISA-N 2 0 299.434 1.655 10 0 CDAERP C[C@@H](C[NH2+][C@@H](C)C1CC(F)(F)C1)N1CC[NH+](C)CC1 ZINC000862277014 929396464 /nfs/dbraw/zinc/39/64/64/929396464.db2.gz LQHLGDCBKDZWPR-RYUDHWBXSA-N 2 0 275.387 1.646 10 0 CDAERP CC[C@H](F)C[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001274025875 931125844 /nfs/dbraw/zinc/12/58/44/931125844.db2.gz OAHBXZZBBDRQBD-RWCKICOTSA-N 2 0 299.434 1.869 10 0 CDAERP CC(C)C[NH2+]C/C=C\CNC(=O)CC1CC[NH+](C)CC1 ZINC001274411851 931497973 /nfs/dbraw/zinc/49/79/73/931497973.db2.gz ASNNTEWKZJGWRH-PLNGDYQASA-N 2 0 281.444 1.636 10 0 CDAERP CCCC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001274577740 931510459 /nfs/dbraw/zinc/51/04/59/931510459.db2.gz BVIKUCXCUOHBGZ-URWSZGRFSA-N 2 0 253.390 1.000 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)CC2CC([NH3+])C2)C1 ZINC000718036579 931573743 /nfs/dbraw/zinc/57/37/43/931573743.db2.gz SAIQATYADHQKQD-PNESKVBLSA-N 2 0 267.417 1.350 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)CCCCCF ZINC001275793575 932041225 /nfs/dbraw/zinc/04/12/25/932041225.db2.gz UUOUJKGKWQIRDW-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[C@H]2[NH3+])C1 ZINC001326369164 932210018 /nfs/dbraw/zinc/21/00/18/932210018.db2.gz FBOWDWOSZOHCHR-HZSPNIEDSA-N 2 0 267.417 1.352 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cnc2n1CCCC2 ZINC000926379866 932986038 /nfs/dbraw/zinc/98/60/38/932986038.db2.gz SCFRNSWRSBTQTP-OCZCAGDBSA-N 2 0 274.412 1.649 10 0 CDAERP [NH3+]CC1CCC([NH2+]C2(c3ncccn3)CCC2)CC1 ZINC001119631166 937741712 /nfs/dbraw/zinc/74/17/12/937741712.db2.gz PDYVDRHHCFKHME-UHFFFAOYSA-N 2 0 260.385 1.963 10 0 CDAERP CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001412794489 934362696 /nfs/dbraw/zinc/36/26/96/934362696.db2.gz WHNTWLXIAYFNFI-HRCADAONSA-N 2 0 293.455 1.802 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)C1 ZINC001413185004 935933816 /nfs/dbraw/zinc/93/38/16/935933816.db2.gz GHXODJWTUIEFNH-WCVJEAGWSA-N 2 0 293.455 1.850 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CC[NH2+]CC2CC2)CC[N@@H+]1C ZINC001568634536 1169409263 /nfs/dbraw/zinc/40/92/63/1169409263.db2.gz ZRAFVJRSPSCKIQ-AEGPPILISA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N(C)CC2CC[NH+](C)CC2)C1 ZINC001362056988 970827938 /nfs/dbraw/zinc/82/79/38/970827938.db2.gz NJOADJSMGIWHTE-INIZCTEOSA-N 2 0 295.471 1.907 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CCCC1 ZINC001362058362 970828707 /nfs/dbraw/zinc/82/87/07/970828707.db2.gz LDBXLTGQJGKVLK-KGLIPLIRSA-N 2 0 279.428 1.604 10 0 CDAERP CCC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001277046255 941864123 /nfs/dbraw/zinc/86/41/23/941864123.db2.gz LJOXACNZJGJLGE-IHRRRGAJSA-N 2 0 267.417 1.223 10 0 CDAERP OC1(C[NH+]2CCCCC2)CC[NH+](C[C@H]2CCCOC2)CC1 ZINC001473875306 970873041 /nfs/dbraw/zinc/87/30/41/970873041.db2.gz OGCYPYFMJUNVHY-MRXNPFEDSA-N 2 0 296.455 1.726 10 0 CDAERP C[C@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1[NH2+]CCCCCF ZINC001281450745 942475735 /nfs/dbraw/zinc/47/57/35/942475735.db2.gz OQVYTFLRGNKUKE-GXTWGEPZSA-N 2 0 296.390 1.529 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)CC[N@@H+]1C ZINC001362126785 970919992 /nfs/dbraw/zinc/91/99/92/970919992.db2.gz PAMSNRVUCSULRN-YJNKXOJESA-N 2 0 281.444 1.706 10 0 CDAERP CC[N@H+](C)[C@H](C)CNC(=O)CCCC[NH+]1CCCC1 ZINC001282504217 942725695 /nfs/dbraw/zinc/72/56/95/942725695.db2.gz LGNMGZYIVRVYSA-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP CC(C)=CC[N@@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001283340519 942881597 /nfs/dbraw/zinc/88/15/97/942881597.db2.gz MFZDOPAQJGVGJG-HNNXBMFYSA-N 2 0 293.455 1.827 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CCCCCF)CN1C(=O)CC[NH+](C)C ZINC001284002583 943046111 /nfs/dbraw/zinc/04/61/11/943046111.db2.gz HBZFSGLJYQHALT-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP CCCC[NH2+]C1CC(N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001284812717 943262080 /nfs/dbraw/zinc/26/20/80/943262080.db2.gz BXRXXVTXZCJYOO-UHFFFAOYSA-N 2 0 269.433 1.707 10 0 CDAERP CCC[NH2+]C[C@@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC000722177596 943962997 /nfs/dbraw/zinc/96/29/97/943962997.db2.gz KEYIIDMLLYFVFJ-GFCCVEGCSA-N 2 0 255.406 1.175 10 0 CDAERP CC(C)=CC[NH+]1CC[C@H]1CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001263812205 943983542 /nfs/dbraw/zinc/98/35/42/943983542.db2.gz JGGFUMWHYGJHKD-CVEARBPZSA-N 2 0 293.455 1.827 10 0 CDAERP CC(C)[N@H+](C)CCOCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001264106017 944077572 /nfs/dbraw/zinc/07/75/72/944077572.db2.gz KCDWSSMDFOFDHZ-UHFFFAOYSA-N 2 0 299.459 1.286 10 0 CDAERP CC[N@H+](CCCNC(=O)C[NH+]1CCCC1)CC1CCC1 ZINC001265146236 944247234 /nfs/dbraw/zinc/24/72/34/944247234.db2.gz RBFOLEVPHHEFEO-UHFFFAOYSA-N 2 0 281.444 1.711 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001265301500 944334965 /nfs/dbraw/zinc/33/49/65/944334965.db2.gz LUXNDLXZIHPGOT-OLZOCXBDSA-N 2 0 255.406 1.175 10 0 CDAERP CC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001265436528 944387180 /nfs/dbraw/zinc/38/71/80/944387180.db2.gz JNVMXHXMEKDJPS-MHKRFPNSSA-N 2 0 281.444 1.873 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001265567178 944431517 /nfs/dbraw/zinc/43/15/17/944431517.db2.gz VNILIUCZIUYMIL-KFWWJZLASA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]CCCOC)C1)[NH+](C)C ZINC001265631194 944451709 /nfs/dbraw/zinc/45/17/09/944451709.db2.gz ZDYFPPKUQCDAOR-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP COCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001265657988 944459178 /nfs/dbraw/zinc/45/91/78/944459178.db2.gz OKIVVYMXARJHHV-OAHLLOKOSA-N 2 0 299.459 1.334 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CCCC[C@H]1C[NH2+]CCF ZINC001265687928 944469593 /nfs/dbraw/zinc/46/95/93/944469593.db2.gz JOSMVDIYMNRRRD-AWEZNQCLSA-N 2 0 287.423 1.659 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H](C[NH2+]CCF)C1 ZINC001265983617 944613637 /nfs/dbraw/zinc/61/36/37/944613637.db2.gz WYFDCUXTFBZOTN-CHWSQXEVSA-N 2 0 291.386 1.074 10 0 CDAERP CC[C@H](C(=O)NCC[C@H](C)[NH2+]CC1CCC1)[NH+](C)C ZINC001266155301 944721076 /nfs/dbraw/zinc/72/10/76/944721076.db2.gz LZDLBRICJWYHCC-GXTWGEPZSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+]CC1CC(C)C1 ZINC001266172408 944731933 /nfs/dbraw/zinc/73/19/33/944731933.db2.gz GGQQRJSAGPUIJS-ROKHWSDSSA-N 2 0 269.433 1.469 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)NCC2(C)CC[NH+](C)CC2)C1 ZINC001362355264 971184176 /nfs/dbraw/zinc/18/41/76/971184176.db2.gz ZVHPUNVABSVIKA-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP CCO[C@H](CC[NH+](C)C)CNC(=O)C1([NH+](C)C)CCCC1 ZINC001362470107 971309876 /nfs/dbraw/zinc/30/98/76/971309876.db2.gz KROAVSLHTRGPHP-CQSZACIVSA-N 2 0 299.459 1.334 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001362531769 971375996 /nfs/dbraw/zinc/37/59/96/971375996.db2.gz GEQHSFNAKFVUFE-JHJVBQTASA-N 2 0 271.380 1.019 10 0 CDAERP CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001278406636 947662243 /nfs/dbraw/zinc/66/22/43/947662243.db2.gz ZLSLOAQUPDZVAQ-OCCSQVGLSA-N 2 0 255.406 1.317 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001479782174 971416072 /nfs/dbraw/zinc/41/60/72/971416072.db2.gz LWBZLSQXTMEHGM-AWEZNQCLSA-N 2 0 299.434 1.801 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@]12CCC[C@H]1[NH+](CC)CC2 ZINC001278466267 948441778 /nfs/dbraw/zinc/44/17/78/948441778.db2.gz HIUAUSLOVIZBFJ-UKRRQHHQSA-N 2 0 267.417 1.461 10 0 CDAERP CC[C@H](F)C[NH2+][C@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001480045739 971554172 /nfs/dbraw/zinc/55/41/72/971554172.db2.gz YEVNTHCSECDNCK-LSDHHAIUSA-N 2 0 299.434 1.561 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC1CC1)C1CC1 ZINC001480028126 971544864 /nfs/dbraw/zinc/54/48/64/971544864.db2.gz JODVDEPYUQKUNY-HUUCEWRRSA-N 2 0 279.428 1.365 10 0 CDAERP CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001278513250 949401627 /nfs/dbraw/zinc/40/16/27/949401627.db2.gz YRQUFLWDJYPKTN-UKRRQHHQSA-N 2 0 269.433 1.565 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001480225176 971635958 /nfs/dbraw/zinc/63/59/58/971635958.db2.gz ZYVXQJOYUSFSJV-MELADBBJSA-N 2 0 267.417 1.365 10 0 CDAERP CCOCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001324629841 953479739 /nfs/dbraw/zinc/47/97/39/953479739.db2.gz TXQUZBUPIYFTPS-GDBMZVCRSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001364014902 954126972 /nfs/dbraw/zinc/12/69/72/954126972.db2.gz KNQGLQJHSRTVSE-XHSDSOJGSA-N 2 0 293.455 1.659 10 0 CDAERP O=C(CC[N@H+]1CC[C@@H](F)C1)NCC12CCC[NH+](CCC1)C2 ZINC001364305785 954445528 /nfs/dbraw/zinc/44/55/28/954445528.db2.gz KGUQZHTUYSIAHJ-CQSZACIVSA-N 2 0 297.418 1.413 10 0 CDAERP CC(C)(O)[C@H](O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001364363045 954504470 /nfs/dbraw/zinc/50/44/70/954504470.db2.gz POQAPFKQAKBOML-ZIAGYGMSSA-N 2 0 270.417 1.069 10 0 CDAERP O[C@@H]1CC[N@@H+](C2CC[NH+](C[C@@H]3CCCC[C@H]3O)CC2)C1 ZINC001363265641 972033630 /nfs/dbraw/zinc/03/36/30/972033630.db2.gz AWTJQIRQHNUDIT-NUEKZKHPSA-N 2 0 282.428 1.069 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)Nc1cc(N(C)C)cc[nH+]1 ZINC001295560061 954700623 /nfs/dbraw/zinc/70/06/23/954700623.db2.gz QCGOMYFCKIYPAF-LLVKDONJSA-N 2 0 264.373 1.674 10 0 CDAERP C[C@@H]1CCC[N@H+](CCNC(=O)[C@H]2CCCC[C@H]2[NH3+])C1 ZINC001327196912 954764544 /nfs/dbraw/zinc/76/45/44/954764544.db2.gz ZAWUFGWBWWKYSL-HZSPNIEDSA-N 2 0 267.417 1.352 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]CC2CC(C)C2)CC[N@@H+]1C ZINC001493550924 972080725 /nfs/dbraw/zinc/08/07/25/972080725.db2.gz KMAGAUKMMYMHJX-SSHXOBKSSA-N 2 0 295.471 1.811 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)CC[NH2+]CC[C@H]1CCOC1)[NH+](C)C ZINC001493586093 972084797 /nfs/dbraw/zinc/08/47/97/972084797.db2.gz FEYGSDPHPYNYSA-GJZGRUSLSA-N 2 0 299.459 1.047 10 0 CDAERP C[C@H]([NH2+]C/C=C/Cl)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001421522753 955390017 /nfs/dbraw/zinc/39/00/17/955390017.db2.gz KWHHGSYPFKUJNF-KVOPJGFESA-N 2 0 287.835 1.517 10 0 CDAERP C[C@H]1CCC[N@@H+]1CCN[C@H]1CC[NH+](C)C(C)(C)C1 ZINC001328688472 955414409 /nfs/dbraw/zinc/41/44/09/955414409.db2.gz BHKLYVFGCDOKMM-KBPBESRZSA-N 2 0 253.434 1.933 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](C)CN2CCOCC2)[C@H](C)C1 ZINC001421577291 955418796 /nfs/dbraw/zinc/41/87/96/955418796.db2.gz FMDXUGKULKYHOT-BBWFWOEESA-N 2 0 297.487 1.617 10 0 CDAERP CCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH+](C)CC)C1 ZINC001365182903 955687841 /nfs/dbraw/zinc/68/78/41/955687841.db2.gz KKAMVVDBGKQJLK-HUUCEWRRSA-N 2 0 281.444 1.804 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccccc1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001421987266 955688615 /nfs/dbraw/zinc/68/86/15/955688615.db2.gz JJWQGXVKACUFTM-GOEBONIOSA-N 2 0 289.423 1.575 10 0 CDAERP C[C@@H](C[NH2+]CC1CC(C)C1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001421998442 955692490 /nfs/dbraw/zinc/69/24/90/955692490.db2.gz VITFGEWVPAFXFS-SLTAFYQDSA-N 2 0 293.455 1.565 10 0 CDAERP C[N@H+](CCC1CC1)C[C@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001422240342 955881432 /nfs/dbraw/zinc/88/14/32/955881432.db2.gz DNPWWVNNQDZSJA-HZPDHXFCSA-N 2 0 293.455 1.661 10 0 CDAERP CC(C)(C(=O)N1CC[C@H](C[NH2+]CCCF)C1)[NH+]1CCCC1 ZINC001317332186 956180127 /nfs/dbraw/zinc/18/01/27/956180127.db2.gz XJUXEVDEAHISJA-CQSZACIVSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001366030850 956522845 /nfs/dbraw/zinc/52/28/45/956522845.db2.gz ROWONILYISQEJM-GJZGRUSLSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CC1CC1 ZINC001423045326 956535185 /nfs/dbraw/zinc/53/51/85/956535185.db2.gz BGMWOXVSEBRUEL-WFASDCNBSA-N 2 0 279.428 1.175 10 0 CDAERP CC[C@H](F)C[NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001366063275 956541034 /nfs/dbraw/zinc/54/10/34/956541034.db2.gz NEQDXJLFHUJNSP-UONOGXRCSA-N 2 0 297.418 1.315 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001366122137 956581415 /nfs/dbraw/zinc/58/14/15/956581415.db2.gz DQBVRHGSFUIKNF-RBSFLKMASA-N 2 0 283.460 1.856 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001366126246 956586359 /nfs/dbraw/zinc/58/63/59/956586359.db2.gz UQEQBCREVWTQLV-HDJSIYSDSA-N 2 0 281.444 1.611 10 0 CDAERP CC[C@H](C(=O)NC[C@H]1CCC[N@H+](CCCF)C1)[NH+](C)C ZINC001366175897 956621317 /nfs/dbraw/zinc/62/13/17/956621317.db2.gz GMVVMQKBPLNAMT-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP Cc1cccc(C[NH2+]C2(CNC(=O)CC[NH+](C)C)CC2)c1 ZINC001423276552 956701544 /nfs/dbraw/zinc/70/15/44/956701544.db2.gz WJUAUYLGVRYWQK-UHFFFAOYSA-N 2 0 289.423 1.685 10 0 CDAERP CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001494298864 972207159 /nfs/dbraw/zinc/20/71/59/972207159.db2.gz WMAWOZSLPAMYGL-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CCC1CC1 ZINC001366287676 956715519 /nfs/dbraw/zinc/71/55/19/956715519.db2.gz LNNHMKLTUKUWDL-CQSZACIVSA-N 2 0 293.455 1.757 10 0 CDAERP CC(C)[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@H]12 ZINC001423356455 956735824 /nfs/dbraw/zinc/73/58/24/956735824.db2.gz QYCAODODIYPIEO-RDJZCZTQSA-N 2 0 293.455 1.992 10 0 CDAERP CC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001569247589 1169735296 /nfs/dbraw/zinc/73/52/96/1169735296.db2.gz VKXBHJBSWGOQDF-KGLIPLIRSA-N 2 0 267.417 1.461 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001366402529 956797490 /nfs/dbraw/zinc/79/74/90/956797490.db2.gz ARXMBARUSLKMBP-CABCVRRESA-N 2 0 281.444 1.422 10 0 CDAERP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1nccs1 ZINC001366512700 956895884 /nfs/dbraw/zinc/89/58/84/956895884.db2.gz XCIHSOFFTLOFGP-VXGBXAGGSA-N 2 0 296.440 1.079 10 0 CDAERP CC[N@H+](CCO)[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001316747836 956998834 /nfs/dbraw/zinc/99/88/34/956998834.db2.gz YPPIQQGFRUVZTK-HNNXBMFYSA-N 2 0 299.459 1.024 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC2CCC2)C1 ZINC001316994886 957190514 /nfs/dbraw/zinc/19/05/14/957190514.db2.gz QCXAMGQUYTXNHV-AWEZNQCLSA-N 2 0 267.417 1.317 10 0 CDAERP COCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001317082130 957255330 /nfs/dbraw/zinc/25/53/30/957255330.db2.gz VZTDFWMDYLQPLN-RBSFLKMASA-N 2 0 297.443 1.134 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H]([NH2+]CCCCCF)C2)C1 ZINC001317124507 957288671 /nfs/dbraw/zinc/28/86/71/957288671.db2.gz OPEFRMPBLNMWQT-SOUVJXGZSA-N 2 0 299.434 1.705 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCCC1CCC1 ZINC001317228790 957359283 /nfs/dbraw/zinc/35/92/83/957359283.db2.gz KLOXRXGDLIHRTF-HIFRSBDPSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H]([NH2+]CCF)[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001424834095 957375951 /nfs/dbraw/zinc/37/59/51/957375951.db2.gz PECKXDAAXWJCGT-OLZOCXBDSA-N 2 0 273.396 1.171 10 0 CDAERP CCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](CCC[C@H](C)O)C1 ZINC001367065087 957377122 /nfs/dbraw/zinc/37/71/22/957377122.db2.gz AYIRWQIYSDEXNT-LSDHHAIUSA-N 2 0 299.459 1.022 10 0 CDAERP CCN(C(=O)C[NH+]1CC[C@@H](C)C1)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001367076188 957387637 /nfs/dbraw/zinc/38/76/37/957387637.db2.gz TZWYURFMLOQTMJ-HUUCEWRRSA-N 2 0 281.444 1.659 10 0 CDAERP CCCC[NH2+][C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001317266548 957392265 /nfs/dbraw/zinc/39/22/65/957392265.db2.gz XTHCECCSDSGXFO-QWHCGFSZSA-N 2 0 255.406 1.223 10 0 CDAERP COCCCC[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001317265845 957392671 /nfs/dbraw/zinc/39/26/71/957392671.db2.gz PODTZZFLYIBCCB-ILXRZTDVSA-N 2 0 299.459 1.238 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001317278408 957399020 /nfs/dbraw/zinc/39/90/20/957399020.db2.gz DDZJYMPANBKYMZ-HNNXBMFYSA-N 2 0 281.444 1.779 10 0 CDAERP C[N@H+](CCCCCF)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001317442829 957476786 /nfs/dbraw/zinc/47/67/86/957476786.db2.gz MNGPBEOAVIVNNI-CYBMUJFWSA-N 2 0 273.396 1.268 10 0 CDAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC1CC1 ZINC001425548645 957564726 /nfs/dbraw/zinc/56/47/26/957564726.db2.gz BRNMCDZTMQGLNA-UKRRQHHQSA-N 2 0 281.444 1.706 10 0 CDAERP CCCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001317862263 957700102 /nfs/dbraw/zinc/70/01/02/957700102.db2.gz UXUHTWWMMHPYOY-HOTGVXAUSA-N 2 0 295.471 1.909 10 0 CDAERP CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]Cc1ccccn1 ZINC001367148867 957711430 /nfs/dbraw/zinc/71/14/30/957711430.db2.gz JZQINAXMFRDJES-AWEZNQCLSA-N 2 0 292.427 1.406 10 0 CDAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]Cc1ccsc1 ZINC001367287984 957908269 /nfs/dbraw/zinc/90/82/69/957908269.db2.gz JLNBEQXSRAYNAV-CYBMUJFWSA-N 2 0 295.452 1.686 10 0 CDAERP CC[NH2+]C1(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CCCC1 ZINC001367327871 957934343 /nfs/dbraw/zinc/93/43/43/957934343.db2.gz DGMOBVMJARGGIJ-ZIAGYGMSSA-N 2 0 281.444 1.898 10 0 CDAERP CC[C@H](C(=O)NCC1C[NH+](C[C@@H](C)CC)C1)[NH+](C)C ZINC001318129898 957937029 /nfs/dbraw/zinc/93/70/29/957937029.db2.gz RRZARYJOXPQRQX-GXTWGEPZSA-N 2 0 269.433 1.421 10 0 CDAERP CCOCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001318300830 958023835 /nfs/dbraw/zinc/02/38/35/958023835.db2.gz CEWGVRRHKKJCNL-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CCOCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001318386166 958071933 /nfs/dbraw/zinc/07/19/33/958071933.db2.gz LCTCGXRHLNHKCA-HUUCEWRRSA-N 2 0 297.443 1.040 10 0 CDAERP CC[C@H](C(=O)N(C)[C@H]1CC[N@H+](CCCO)C1)[NH+](CC)CC ZINC001494852393 972322601 /nfs/dbraw/zinc/32/26/01/972322601.db2.gz AEEDLDSBYVNOOP-LSDHHAIUSA-N 2 0 299.459 1.022 10 0 CDAERP CCN(CC[NH2+]C(C)C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001367642579 958165801 /nfs/dbraw/zinc/16/58/01/958165801.db2.gz HOMQHKBMXGIURY-GJZGRUSLSA-N 2 0 281.444 1.850 10 0 CDAERP CC[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]C(C)C ZINC001318555042 958169982 /nfs/dbraw/zinc/16/99/82/958169982.db2.gz LRXKFJDLRGSUTI-ZDUSSCGKSA-N 2 0 269.433 1.754 10 0 CDAERP C[C@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001367691876 958219515 /nfs/dbraw/zinc/21/95/15/958219515.db2.gz OXNIPXKRTBEKKE-CYBMUJFWSA-N 2 0 295.471 1.859 10 0 CDAERP CCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001494908864 972335115 /nfs/dbraw/zinc/33/51/15/972335115.db2.gz ABWJVYQKPAKFKQ-OAHLLOKOSA-N 2 0 281.444 1.661 10 0 CDAERP CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]CC1CC1 ZINC001367936843 958491414 /nfs/dbraw/zinc/49/14/14/958491414.db2.gz IXVRDKVJXQKMGS-GJZGRUSLSA-N 2 0 281.444 1.565 10 0 CDAERP CCC[N@H+](C)CC(=O)NCC1(NCc2cnc(C)o2)CC1 ZINC001368036837 958597138 /nfs/dbraw/zinc/59/71/38/958597138.db2.gz NLIALOGQBXYYRF-UHFFFAOYSA-N 2 0 294.399 1.063 10 0 CDAERP CN(C(=O)C[N@H+](C)C1CCC1)C1C[NH+](CC2CCC2)C1 ZINC001368068592 958614543 /nfs/dbraw/zinc/61/45/43/958614543.db2.gz VEMKNYOTFZPHMC-UHFFFAOYSA-N 2 0 279.428 1.413 10 0 CDAERP COCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001319608923 958651949 /nfs/dbraw/zinc/65/19/49/958651949.db2.gz LCDASMUNNWGHDZ-RBSFLKMASA-N 2 0 299.459 1.094 10 0 CDAERP CC(C)[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CCCF ZINC001319915150 958784945 /nfs/dbraw/zinc/78/49/45/958784945.db2.gz INEYDDKBDNYTEA-CABCVRRESA-N 2 0 299.434 1.418 10 0 CDAERP CC[C@H](C[NH2+][C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1)OC ZINC001368643285 959012845 /nfs/dbraw/zinc/01/28/45/959012845.db2.gz ZUYZWPLGFKVUTG-RBSFLKMASA-N 2 0 299.459 1.332 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1CC1CCC1 ZINC001368782696 959125668 /nfs/dbraw/zinc/12/56/68/959125668.db2.gz PCQFHFAFABMUSV-HIFRSBDPSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001320423372 959162924 /nfs/dbraw/zinc/16/29/24/959162924.db2.gz UZIYQELZWYCAFD-BFHYXJOUSA-N 2 0 269.433 1.467 10 0 CDAERP COC[C@H](C)[N@H+](C)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001368984913 959365686 /nfs/dbraw/zinc/36/56/86/959365686.db2.gz MHUFPBNAFJFYON-KGLIPLIRSA-N 2 0 299.459 1.332 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CC1CC1 ZINC001320753052 959369687 /nfs/dbraw/zinc/36/96/87/959369687.db2.gz RSKBNADDNSCFJV-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CC/C=C\CC[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C ZINC001320811561 959405257 /nfs/dbraw/zinc/40/52/57/959405257.db2.gz PLBZPYDZWVFKSL-IDTUSYRASA-N 2 0 281.444 1.875 10 0 CDAERP Cc1ncoc1C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001369395502 959664108 /nfs/dbraw/zinc/66/41/08/959664108.db2.gz RAXOGXSLNNDHNF-CHWSQXEVSA-N 2 0 294.399 1.014 10 0 CDAERP CC[C@H](F)C[NH2+]C/C=C\CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001321334677 959729243 /nfs/dbraw/zinc/72/92/43/959729243.db2.gz CALVCXVZBRBRLX-VSVUCHCSSA-N 2 0 285.407 1.338 10 0 CDAERP CC(C)C[NH2+]C[C@@](C)(NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001495251830 972457424 /nfs/dbraw/zinc/45/74/24/972457424.db2.gz XFMWCFKLIKYVKT-FRFSOERESA-N 2 0 295.471 1.857 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[N@H+](CC)C[C@@H]1C ZINC001369708744 959824802 /nfs/dbraw/zinc/82/48/02/959824802.db2.gz MVUGNZXPYGGYOL-KGLIPLIRSA-N 2 0 284.448 1.452 10 0 CDAERP CCC(CC)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001369844061 959894197 /nfs/dbraw/zinc/89/41/97/959894197.db2.gz NXPGURCAOAGVBU-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CC[C@@H](C)F)C1 ZINC001370063326 959978560 /nfs/dbraw/zinc/97/85/60/959978560.db2.gz OZRWFYLNZGQUMI-CHWSQXEVSA-N 2 0 273.396 1.265 10 0 CDAERP CCCC[N@H+](C)C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001370299906 960032126 /nfs/dbraw/zinc/03/21/26/960032126.db2.gz DFNKNSSXHNQMDF-OAHLLOKOSA-N 2 0 283.460 1.909 10 0 CDAERP CCCC[NH2+]C[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001321989969 960046169 /nfs/dbraw/zinc/04/61/69/960046169.db2.gz FCGZLKVTGHYEIH-STQMWFEESA-N 2 0 255.406 1.223 10 0 CDAERP CC1CC(C[NH2+]CCCN(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001322647698 960285027 /nfs/dbraw/zinc/28/50/27/960285027.db2.gz DUSVMOABSHXXGW-YMAMQOFZSA-N 2 0 281.444 1.565 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001323356360 960674105 /nfs/dbraw/zinc/67/41/05/960674105.db2.gz JCNDRPQOMTXCSW-IDTUSYRASA-N 2 0 281.444 1.873 10 0 CDAERP C[C@H](F)CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001418957547 961195093 /nfs/dbraw/zinc/19/50/93/961195093.db2.gz OQMPCJRNZSCUMR-KBPBESRZSA-N 2 0 299.434 1.799 10 0 CDAERP C[C@@H](CN1CC[NH+](C2CCC2)CC1)C[NH+]1CCOCC1 ZINC001434458710 961435248 /nfs/dbraw/zinc/43/52/48/961435248.db2.gz RXHNAEAXVXVWKK-HNNXBMFYSA-N 2 0 281.444 1.125 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H]([NH2+]C/C=C\Cl)C1CC1 ZINC001419322754 961605355 /nfs/dbraw/zinc/60/53/55/961605355.db2.gz KVKYYGLKPRDNHT-IRBQFCFKSA-N 2 0 287.835 1.564 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001419426325 961689111 /nfs/dbraw/zinc/68/91/11/961689111.db2.gz KQARSNAXCRQOLO-CRWXNKLISA-N 2 0 285.407 1.313 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001419469514 961739985 /nfs/dbraw/zinc/73/99/85/961739985.db2.gz FBLLLUJGFNETCY-ARILJUKYSA-N 2 0 281.444 1.610 10 0 CDAERP C[C@H]([NH2+]CCC1CC1)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001419835097 962144874 /nfs/dbraw/zinc/14/48/74/962144874.db2.gz TYTOBTNCOQBVDZ-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CC1CCOCC1 ZINC001419895226 962207301 /nfs/dbraw/zinc/20/73/01/962207301.db2.gz AKMWJBPVFCAPGK-HNNXBMFYSA-N 2 0 299.459 1.095 10 0 CDAERP CC[C@@H](F)C[NH2+][C@@H]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001436418076 962243465 /nfs/dbraw/zinc/24/34/65/962243465.db2.gz YMUXIZWIZOFTBE-RRFJBIMHSA-N 2 0 299.434 1.705 10 0 CDAERP CC(C)CC[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001436831792 962444131 /nfs/dbraw/zinc/44/41/31/962444131.db2.gz XRGZRJSANUHOHA-HNNXBMFYSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001436903058 962487097 /nfs/dbraw/zinc/48/70/97/962487097.db2.gz QIUVOOGXPHTAEZ-ZQDZILKHSA-N 2 0 299.434 1.846 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001437058286 962581652 /nfs/dbraw/zinc/58/16/52/962581652.db2.gz HGXFUWOTQMOVMN-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](F)C[N@H+](CC)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001420422505 962890483 /nfs/dbraw/zinc/89/04/83/962890483.db2.gz LWULENAVUPFBQR-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP C[NH+](C)C1(C(=O)NC[C@@H]2CCC[N@@H+]2CCC2CC2)CCC1 ZINC001420465981 962944728 /nfs/dbraw/zinc/94/47/28/962944728.db2.gz CZTHNMMRSPSIGJ-HNNXBMFYSA-N 2 0 293.455 1.851 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C1CC1 ZINC001420748342 963220169 /nfs/dbraw/zinc/22/01/69/963220169.db2.gz JSBLVIMEHLGFHG-HUUCEWRRSA-N 2 0 281.444 1.611 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001420790621 963243092 /nfs/dbraw/zinc/24/30/92/963243092.db2.gz SHNREIBCFJUFNF-UONOGXRCSA-N 2 0 285.407 1.315 10 0 CDAERP CCCC[N@H+](C)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001438003359 963276052 /nfs/dbraw/zinc/27/60/52/963276052.db2.gz BCOBYWRBAYOJAL-UHFFFAOYSA-N 2 0 283.460 1.909 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001420893274 963338214 /nfs/dbraw/zinc/33/82/14/963338214.db2.gz MIRQSZYCQURRRV-LSDHHAIUSA-N 2 0 283.460 1.809 10 0 CDAERP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cccnc1 ZINC001421436416 963605958 /nfs/dbraw/zinc/60/59/58/963605958.db2.gz GSAQDHMMODCINK-AWEZNQCLSA-N 2 0 278.400 1.018 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)CCCF ZINC001439325877 963723436 /nfs/dbraw/zinc/72/34/36/963723436.db2.gz AYCFMJHLRPOKSO-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@H](C[N@H+](C)Cc1ccsc1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001439402526 963752257 /nfs/dbraw/zinc/75/22/57/963752257.db2.gz CEFHWUXTKGHZDB-TZMCWYRMSA-N 2 0 295.452 1.636 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001439530711 963788520 /nfs/dbraw/zinc/78/85/20/963788520.db2.gz RQXOAQRUBZGHCL-HIFRSBDPSA-N 2 0 281.444 1.707 10 0 CDAERP CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001439898668 963890646 /nfs/dbraw/zinc/89/06/46/963890646.db2.gz HTVACASYDYYTBP-DOMZBBRYSA-N 2 0 278.400 1.436 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001440425663 964035286 /nfs/dbraw/zinc/03/52/86/964035286.db2.gz GVAYJJOPXZIADR-KGLIPLIRSA-N 2 0 287.423 1.609 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](C/C=C\Cl)[C@@H]1C ZINC001440499955 964089813 /nfs/dbraw/zinc/08/98/13/964089813.db2.gz VZKGOWVMPZISIP-ODBCZPJSSA-N 2 0 287.835 1.660 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)NCC[NH+]2CCCC2)CC1 ZINC001440722642 964147583 /nfs/dbraw/zinc/14/75/83/964147583.db2.gz MWAIJQPCKOHQMP-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccccn1 ZINC001440858481 964213747 /nfs/dbraw/zinc/21/37/47/964213747.db2.gz UXFNEFNXVIFBTO-KGLIPLIRSA-N 2 0 292.427 1.406 10 0 CDAERP CC(C)CC[NH2+][C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001441231778 964426690 /nfs/dbraw/zinc/42/66/90/964426690.db2.gz YGHZHNUJPUCVNI-GDBMZVCRSA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]([NH2+]CC1CCC1)C1CC1 ZINC001441287448 964451482 /nfs/dbraw/zinc/45/14/82/964451482.db2.gz ACOWZABSEXOVON-OAHLLOKOSA-N 2 0 281.444 1.611 10 0 CDAERP CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001441692829 964654410 /nfs/dbraw/zinc/65/44/10/964654410.db2.gz YUGBTZTWBBKWLK-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP Cc1ccc(C[NH2+][C@H](C)CCNC(=O)CC[NH+](C)C)cc1 ZINC001442289345 964974714 /nfs/dbraw/zinc/97/47/14/964974714.db2.gz NQNCJJPMRNSMQC-OAHLLOKOSA-N 2 0 291.439 1.931 10 0 CDAERP CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001443216743 965402838 /nfs/dbraw/zinc/40/28/38/965402838.db2.gz GQEUURXJQRBXRS-GJZGRUSLSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H](C)N(C)C(=O)CCN1CCOCC1 ZINC001444681378 965920989 /nfs/dbraw/zinc/92/09/89/965920989.db2.gz FVGXJVHTDYFFGL-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP C[C@H](C[NH2+]CC1CCCC1)N(C)C(=O)Cc1ncc[nH]1 ZINC001444684198 965923116 /nfs/dbraw/zinc/92/31/16/965923116.db2.gz DVUQBMBVZRUFGH-GFCCVEGCSA-N 2 0 278.400 1.579 10 0 CDAERP CC(C)C[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C(C)C ZINC001444897121 965988836 /nfs/dbraw/zinc/98/88/36/965988836.db2.gz UHNDVTKZCHLRSA-LSDHHAIUSA-N 2 0 283.460 1.857 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001444987186 966042335 /nfs/dbraw/zinc/04/23/35/966042335.db2.gz ISFHAOCZBGYXNN-ZFWWWQNUSA-N 2 0 299.434 1.467 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001479963332 966348541 /nfs/dbraw/zinc/34/85/41/966348541.db2.gz ZIBYQYWZTHJVTJ-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C1CC1 ZINC001445985571 966406370 /nfs/dbraw/zinc/40/63/70/966406370.db2.gz SPGRHIQQJKDBAB-HUUCEWRRSA-N 2 0 281.444 1.754 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@]1(C)CCC[NH+](CCF)C1 ZINC001446669480 966610728 /nfs/dbraw/zinc/61/07/28/966610728.db2.gz BGYXEDIZJOOXIO-GOEBONIOSA-N 2 0 299.434 1.659 10 0 CDAERP CC[C@@H](C)C[N@@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001447043984 966686751 /nfs/dbraw/zinc/68/67/51/966686751.db2.gz REUBZWKUSIQOKX-OWCLPIDISA-N 2 0 295.471 1.907 10 0 CDAERP CC(C)C[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001447791554 966879144 /nfs/dbraw/zinc/87/91/44/966879144.db2.gz GKVHQEUMUJCQAS-UYSNPLJNSA-N 2 0 295.471 2.000 10 0 CDAERP C[NH+](C)C1(C(=O)NC2CC(C[NH2+]CC3CC3)C2)CCC1 ZINC001447798290 966880364 /nfs/dbraw/zinc/88/03/64/966880364.db2.gz PPDNKYUEAYFBBP-UHFFFAOYSA-N 2 0 279.428 1.365 10 0 CDAERP C[C@@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C1C[NH+](CC2CC2)C1 ZINC001448321334 967072424 /nfs/dbraw/zinc/07/24/24/967072424.db2.gz WACWNFDOCSNPSK-CZUORRHYSA-N 2 0 293.455 1.707 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001449094128 967359819 /nfs/dbraw/zinc/35/98/19/967359819.db2.gz MJCATXDRUCNTKE-STQMWFEESA-N 2 0 287.423 1.513 10 0 CDAERP CN(C(=O)CC[NH+](C)C)C1CC([NH2+]Cc2nccs2)C1 ZINC001449384041 967449403 /nfs/dbraw/zinc/44/94/03/967449403.db2.gz JVCHCLNMHCAXBA-UHFFFAOYSA-N 2 0 296.440 1.174 10 0 CDAERP C[NH+](C)CCN1CC[N@H+](C[C@H]2CC3CCC2CC3)CC1=O ZINC001460340768 969500228 /nfs/dbraw/zinc/50/02/28/969500228.db2.gz UEZUSHDNJYXHQG-UYSNPLJNSA-N 2 0 293.455 1.519 10 0 CDAERP Cn1cc([C@H]2CCC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)nn1 ZINC001460946924 969572110 /nfs/dbraw/zinc/57/21/10/969572110.db2.gz QYPIWINTEFUEQR-KBPBESRZSA-N 2 0 277.416 1.479 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC001464196718 969776100 /nfs/dbraw/zinc/77/61/00/969776100.db2.gz KAKTUENHMOPZJL-ILXRZTDVSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC001361765344 970505402 /nfs/dbraw/zinc/50/54/02/970505402.db2.gz LFYVKEZXERCXFX-CQSZACIVSA-N 2 0 291.439 1.952 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC001361789390 970531565 /nfs/dbraw/zinc/53/15/65/970531565.db2.gz WQRAEILEDMZECB-CQSZACIVSA-N 2 0 281.444 1.661 10 0 CDAERP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)C[NH2+]CCC1CC1 ZINC001495685923 972594757 /nfs/dbraw/zinc/59/47/57/972594757.db2.gz YFBMZUYYIGQYPZ-CYBMUJFWSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001496229593 972849014 /nfs/dbraw/zinc/84/90/14/972849014.db2.gz JQGDJVMZOSQDQO-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001496432849 972921562 /nfs/dbraw/zinc/92/15/62/972921562.db2.gz ZYQKPZNMBYHOHF-HUUCEWRRSA-N 2 0 281.444 1.707 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CCC[NH+]1CCCF ZINC001372521457 972996579 /nfs/dbraw/zinc/99/65/79/972996579.db2.gz JXQHMSDUKAKAOR-HUUCEWRRSA-N 2 0 299.434 1.801 10 0 CDAERP COCC[N@H+](C)CCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001496843481 973118819 /nfs/dbraw/zinc/11/88/19/973118819.db2.gz CEEVAUJPGWDZSV-HNNXBMFYSA-N 2 0 299.459 1.143 10 0 CDAERP CCOCCC[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001569653831 1169957041 /nfs/dbraw/zinc/95/70/41/1169957041.db2.gz WFMBLMBIWSATRY-MRXNPFEDSA-N 2 0 297.443 1.089 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)CC[N@@H+]2CC[C@H](F)C2)CC1 ZINC001417617116 973201823 /nfs/dbraw/zinc/20/18/23/973201823.db2.gz DRKBNOQNSHCWGA-AWEZNQCLSA-N 2 0 299.434 1.753 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC001417636882 973221446 /nfs/dbraw/zinc/22/14/46/973221446.db2.gz YQSFUHPSFFPQMO-AWEZNQCLSA-N 2 0 283.460 1.765 10 0 CDAERP C[C@H](CC[NH2+]C/C=C\Cl)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001497321923 973286574 /nfs/dbraw/zinc/28/65/74/973286574.db2.gz IEQBGLOXZIJNDQ-FVLQNALFSA-N 2 0 273.808 1.175 10 0 CDAERP C[NH+](C)[C@H]1CCCN(C(=O)CC[N@@H+]2CC[C@H](F)C2)CC1 ZINC001417714152 973320618 /nfs/dbraw/zinc/32/06/18/973320618.db2.gz LIAVEIKNSAMVTH-KBPBESRZSA-N 2 0 285.407 1.363 10 0 CDAERP CC[C@H](F)C[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001497417858 973339033 /nfs/dbraw/zinc/33/90/33/973339033.db2.gz NGGSAPQJMBTXHV-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)C[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001373292247 973349632 /nfs/dbraw/zinc/34/96/32/973349632.db2.gz KIXXIWJHQKCPIZ-CVEARBPZSA-N 2 0 295.471 1.765 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC/C=C\C[NH2+]CC[C@H](C)F)CC[N@@H+]1C ZINC001497586704 973422818 /nfs/dbraw/zinc/42/28/18/973422818.db2.gz XUOXDFTYMQAMTF-CYSUXKILSA-N 2 0 299.434 1.727 10 0 CDAERP CC[C@H](C)C[NH2+]C/C=C/CNC(=O)C1CC[NH+](C)CC1 ZINC001497676034 973461574 /nfs/dbraw/zinc/46/15/74/973461574.db2.gz WANDLXFMWDWUSH-GJBLVYBDSA-N 2 0 281.444 1.636 10 0 CDAERP COCC[N@@H+]1CCC[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001417907951 973468396 /nfs/dbraw/zinc/46/83/96/973468396.db2.gz IATZYKQKFAYGHV-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001418057546 973559144 /nfs/dbraw/zinc/55/91/44/973559144.db2.gz JQWDRUBCCKIYCX-ZQDZILKHSA-N 2 0 297.418 1.313 10 0 CDAERP COCCC[NH2+]C[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001497926691 973578604 /nfs/dbraw/zinc/57/86/04/973578604.db2.gz JFJCGVWCIJKXRF-HUUCEWRRSA-N 2 0 299.459 1.382 10 0 CDAERP CCC(CC)C[NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001418111629 973590631 /nfs/dbraw/zinc/59/06/31/973590631.db2.gz UZNCDHSRCPFXAM-GASCZTMLSA-N 2 0 293.455 1.755 10 0 CDAERP C[C@H](C[NH2+]Cc1ccccc1)NC(=O)C[NH+]1CCCC1 ZINC001497983944 973599118 /nfs/dbraw/zinc/59/91/18/973599118.db2.gz SNNZARIXUOGROL-CQSZACIVSA-N 2 0 275.396 1.377 10 0 CDAERP CC[C@@H](F)C[NH2+]CC1(NC(=O)[C@H]2CCC[N@@H+]2C)CCCC1 ZINC001373852262 973667965 /nfs/dbraw/zinc/66/79/65/973667965.db2.gz ASARZSMBUSDHDZ-ZIAGYGMSSA-N 2 0 299.434 1.847 10 0 CDAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CCC(F)(F)F ZINC001418274631 973716645 /nfs/dbraw/zinc/71/66/45/973716645.db2.gz IXABNXVFYVQDBA-QWRGUYRKSA-N 2 0 295.349 1.375 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]Cc1cncs1 ZINC001374052936 973752632 /nfs/dbraw/zinc/75/26/32/973752632.db2.gz NVGAOJYZKPOOPY-WCQYABFASA-N 2 0 296.440 1.079 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001498283055 973806834 /nfs/dbraw/zinc/80/68/34/973806834.db2.gz NOTQPZOTNVAALY-ZBFHGGJFSA-N 2 0 293.455 1.731 10 0 CDAERP CC(C)C[C@@H](C[NH2+]C(C)C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001374351443 973906543 /nfs/dbraw/zinc/90/65/43/973906543.db2.gz ACJOFWPRPICTEG-GJZGRUSLSA-N 2 0 283.460 2.000 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H](C)C[N@H+](C)CC1CC1)[NH+]1CCCC1 ZINC001498457729 973928409 /nfs/dbraw/zinc/92/84/09/973928409.db2.gz SUIIJRVVGVHXEK-ZBFHGGJFSA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@H](F)C[N@H+](CC)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001418553742 973960174 /nfs/dbraw/zinc/96/01/74/973960174.db2.gz ACZUOLKOAGEXDC-AWEZNQCLSA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001499422011 974251963 /nfs/dbraw/zinc/25/19/63/974251963.db2.gz SRWURBFOANTIQI-UONOGXRCSA-N 2 0 281.444 1.754 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](F)C[NH+](CC)CC ZINC001499898034 974328921 /nfs/dbraw/zinc/32/89/21/974328921.db2.gz XXPKIJYYPNBCGC-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001375349864 974348142 /nfs/dbraw/zinc/34/81/42/974348142.db2.gz FBQNHKWSRRYOOZ-CABCVRRESA-N 2 0 299.434 1.657 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001375349873 974348583 /nfs/dbraw/zinc/34/85/83/974348583.db2.gz FBQNHKWSRRYOOZ-HUUCEWRRSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)C[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001500125943 974379509 /nfs/dbraw/zinc/37/95/09/974379509.db2.gz KPDKCLQHUJRZIN-HOTGVXAUSA-N 2 0 295.471 1.859 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NCC2([NH2+]CC3CCCC3)CC2)C1 ZINC001375490549 974402948 /nfs/dbraw/zinc/40/29/48/974402948.db2.gz LCCIIHBBKFPILB-AWEZNQCLSA-N 2 0 293.455 1.757 10 0 CDAERP CC[C@H](C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C)OC ZINC001375672341 974450834 /nfs/dbraw/zinc/45/08/34/974450834.db2.gz TWGCMMQODRHNCF-KFWWJZLASA-N 2 0 299.459 1.331 10 0 CDAERP CC(C)[NH2+]CCN(Cc1ccccc1)C(=O)CC[NH+](C)C ZINC001376378136 974647326 /nfs/dbraw/zinc/64/73/26/974647326.db2.gz MBHJXZCZPOXHFS-UHFFFAOYSA-N 2 0 291.439 1.965 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001376465426 974668184 /nfs/dbraw/zinc/66/81/84/974668184.db2.gz QPEMTWNVTWOGML-MELADBBJSA-N 2 0 297.418 1.600 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC2CC(C)C2)C1 ZINC001376920903 974818252 /nfs/dbraw/zinc/81/82/52/974818252.db2.gz HIDLCUDPJVVRLF-NRXISQOPSA-N 2 0 281.444 1.563 10 0 CDAERP C[C@@H](CCNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC1CCC1 ZINC001377104219 974883109 /nfs/dbraw/zinc/88/31/09/974883109.db2.gz RBTLZTBNZBIBIR-DZGCQCFKSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@@H](F)CC[NH2+]CC1CC(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001505501905 974895983 /nfs/dbraw/zinc/89/59/83/974895983.db2.gz OXZJNVGKZLGBJC-IYXRBSQSSA-N 2 0 299.434 1.703 10 0 CDAERP C[NH+](C)CCC(=O)NCC[N@H+](C)CCc1cccs1 ZINC001377261091 974949244 /nfs/dbraw/zinc/94/92/44/974949244.db2.gz PFYQIKKRDAVVMJ-UHFFFAOYSA-N 2 0 283.441 1.290 10 0 CDAERP CN(CC(C)(C)C[NH2+]CCC1CC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001505801710 974991836 /nfs/dbraw/zinc/99/18/36/974991836.db2.gz QEDCHKGSPKRTHZ-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001505813817 974993942 /nfs/dbraw/zinc/99/39/42/974993942.db2.gz VMMYNUNDUQQIAQ-OAHLLOKOSA-N 2 0 295.471 1.812 10 0 CDAERP CC(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001377872539 975162503 /nfs/dbraw/zinc/16/25/03/975162503.db2.gz MHTQIKQANMRBSU-KBPBESRZSA-N 2 0 299.459 1.236 10 0 CDAERP CC[NH+]1CC([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001506640527 975194877 /nfs/dbraw/zinc/19/48/77/975194877.db2.gz JOWNQDOMUPSZTE-GFCCVEGCSA-N 2 0 267.417 1.317 10 0 CDAERP CCCC[N@@H+]1C[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001506749198 975216293 /nfs/dbraw/zinc/21/62/93/975216293.db2.gz PNIXMDJEHWVHSW-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[N@H+](C)CC1CCC1 ZINC001378043448 975217644 /nfs/dbraw/zinc/21/76/44/975217644.db2.gz OYHCMGMNJGUFRA-CZUORRHYSA-N 2 0 293.455 1.565 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cscn2)C1 ZINC001506896524 975249279 /nfs/dbraw/zinc/24/92/79/975249279.db2.gz PJLIQNUKYZQBQL-HAQNSBGRSA-N 2 0 296.440 1.079 10 0 CDAERP CC[C@H](C(=O)N(CC)[C@H]1CC[N@H+](CC2CC2)C1)[NH+](C)C ZINC001378221356 975295593 /nfs/dbraw/zinc/29/55/93/975295593.db2.gz YAGCXRMCGMIWOP-LSDHHAIUSA-N 2 0 281.444 1.659 10 0 CDAERP CO[C@@H](C)C[NH2+]C[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001378584626 975405942 /nfs/dbraw/zinc/40/59/42/975405942.db2.gz GDKNMRKTLQCXJR-KBPBESRZSA-N 2 0 299.459 1.238 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NCC[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC001404521841 975414030 /nfs/dbraw/zinc/41/40/30/975414030.db2.gz WGTGCTXETGUANU-CABCVRRESA-N 2 0 279.428 1.176 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001397081095 975455742 /nfs/dbraw/zinc/45/57/42/975455742.db2.gz MQFJMDMWRZRUDM-HRCADAONSA-N 2 0 295.471 1.859 10 0 CDAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@H]1C[C@H]([NH2+]CCF)C1 ZINC001397138268 975477733 /nfs/dbraw/zinc/47/77/33/975477733.db2.gz DAQLLWDIXSPDID-XUXIUFHCSA-N 2 0 285.407 1.313 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H]2C[NH+](CC)C[C@@H]2C1 ZINC001378781196 975489036 /nfs/dbraw/zinc/48/90/36/975489036.db2.gz KAEKCZCEXSHPDC-SOUVJXGZSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1cccnc1)[NH+](C)C ZINC001401233947 975535654 /nfs/dbraw/zinc/53/56/54/975535654.db2.gz VIOIRRNRMAMORI-DZGCQCFKSA-N 2 0 292.427 1.358 10 0 CDAERP CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC1CCC1 ZINC001378973718 975573297 /nfs/dbraw/zinc/57/32/97/975573297.db2.gz WPOSWNNQNWSSPS-FVQBIDKESA-N 2 0 295.471 1.857 10 0 CDAERP CCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@@H+]([C@@H](C)COC)C1 ZINC001405186097 975664781 /nfs/dbraw/zinc/66/47/81/975664781.db2.gz ADJOFOYTMLAQAX-GJZGRUSLSA-N 2 0 299.459 1.284 10 0 CDAERP C[C@@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]CCC1CC1 ZINC001379272704 975738701 /nfs/dbraw/zinc/73/87/01/975738701.db2.gz GQPFPXJSAQPFMK-ZDUSSCGKSA-N 2 0 279.428 1.319 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]Cc1cncs1)[NH+](C)C ZINC001401659994 975769553 /nfs/dbraw/zinc/76/95/53/975769553.db2.gz RENTVGDOAOUABF-DGCLKSJQSA-N 2 0 298.456 1.324 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccccc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001401715322 975824949 /nfs/dbraw/zinc/82/49/49/975824949.db2.gz ADKOJYCDJXUWBL-AWEZNQCLSA-N 2 0 287.407 1.377 10 0 CDAERP C[C@@H](C[NH2+]Cc1cncs1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001401717457 975829634 /nfs/dbraw/zinc/82/96/34/975829634.db2.gz LFDQDXVSWURABD-RYUDHWBXSA-N 2 0 296.440 1.079 10 0 CDAERP Cc1csc(C[NH2+]C[C@@H](C)NC(=O)C[NH+]2CCCC2)n1 ZINC001379472286 975858473 /nfs/dbraw/zinc/85/84/73/975858473.db2.gz WVQONSUJMKYHLD-LLVKDONJSA-N 2 0 296.440 1.142 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)C[NH+](C)CCOC)C1 ZINC001401777879 975903884 /nfs/dbraw/zinc/90/38/84/975903884.db2.gz CMVDRVRLJHQSNG-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@@H](C[N@H+](C)CCCF)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001401795670 975920147 /nfs/dbraw/zinc/92/01/47/975920147.db2.gz GVGQGCZEUVOTGN-QWHCGFSZSA-N 2 0 273.396 1.124 10 0 CDAERP C[C@@H](F)CC[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001401945898 976031718 /nfs/dbraw/zinc/03/17/18/976031718.db2.gz DDDHBTWHJSJOGW-OCCSQVGLSA-N 2 0 297.418 1.315 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)COC)C1 ZINC001389984457 976074652 /nfs/dbraw/zinc/07/46/52/976074652.db2.gz UXPOQUKSBYLBBE-BYNSBNAKSA-N 2 0 297.443 1.133 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC2)C1)[NH+](CC)CC ZINC001398624654 976081293 /nfs/dbraw/zinc/08/12/93/976081293.db2.gz LRCBCUOSTCSRNG-QLFBSQMISA-N 2 0 281.444 1.754 10 0 CDAERP Cc1cccnc1C[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001398630453 976083674 /nfs/dbraw/zinc/08/36/74/976083674.db2.gz VYUZPYHPZPBTHC-OKILXGFUSA-N 2 0 290.411 1.079 10 0 CDAERP O=C(CCC[NH+]1CCCCC1)N[C@H]1C[C@@H]([NH2+]CCF)C1 ZINC001390017226 976087059 /nfs/dbraw/zinc/08/70/59/976087059.db2.gz YSXZEYOROWXKMH-OKILXGFUSA-N 2 0 285.407 1.459 10 0 CDAERP CC(C)(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001398658588 976091565 /nfs/dbraw/zinc/09/15/65/976091565.db2.gz CDSGOUDIPVLVRX-OKILXGFUSA-N 2 0 281.444 1.755 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCCO2)C1 ZINC001398669284 976099248 /nfs/dbraw/zinc/09/92/48/976099248.db2.gz HRCUSJZYCJCQIL-ZNMIVQPWSA-N 2 0 297.443 1.134 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H](C[NH2+]CC1CC1)C1CC1 ZINC001379863958 976107201 /nfs/dbraw/zinc/10/72/01/976107201.db2.gz BTCNKJDUTQJLBQ-CVEARBPZSA-N 2 0 293.455 1.755 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@](C)(NC(=O)Cn2ccnc2)C1 ZINC001402128479 976134036 /nfs/dbraw/zinc/13/40/36/976134036.db2.gz PRLIRYUFPZQWFJ-JSGCOSHPSA-N 2 0 282.363 1.212 10 0 CDAERP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001402179268 976162610 /nfs/dbraw/zinc/16/26/10/976162610.db2.gz DXCLFCVSBUYAQG-GOEBONIOSA-N 2 0 289.423 1.890 10 0 CDAERP Cc1noc(C)c1C[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001406555078 976252846 /nfs/dbraw/zinc/25/28/46/976252846.db2.gz FYBCBEIRPGFFRC-NSHDSACASA-N 2 0 296.415 1.226 10 0 CDAERP CC(C)[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001402491210 976312388 /nfs/dbraw/zinc/31/23/88/976312388.db2.gz ZKDIDJXOYLEBKN-GOEBONIOSA-N 2 0 293.455 1.565 10 0 CDAERP CC(C)C[N@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001406641952 976327555 /nfs/dbraw/zinc/32/75/55/976327555.db2.gz CNYWSIBAWSOKIO-AWEZNQCLSA-N 2 0 283.460 1.953 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)C[NH+](C)CC2CC2)C1 ZINC001406644609 976328025 /nfs/dbraw/zinc/32/80/25/976328025.db2.gz HEEGCOFPADFEOO-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CCO)C1)[NH+](CC)CC ZINC001390622900 976394255 /nfs/dbraw/zinc/39/42/55/976394255.db2.gz KSIKGLWQMVOQQT-GJZGRUSLSA-N 2 0 299.459 1.022 10 0 CDAERP C[C@@H](CCNC(=O)CC[NH+](C)C)[NH2+]Cc1ccns1 ZINC001390707930 976446627 /nfs/dbraw/zinc/44/66/27/976446627.db2.gz WCRXVQYESRIUQI-NSHDSACASA-N 2 0 284.429 1.079 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CCF ZINC001390726869 976458071 /nfs/dbraw/zinc/45/80/71/976458071.db2.gz GURIJACIONOGAF-CHWSQXEVSA-N 2 0 273.396 1.315 10 0 CDAERP C[C@H](O)C[N@H+](C)CCNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001390781165 976499256 /nfs/dbraw/zinc/49/92/56/976499256.db2.gz CQPRBDZNLWQSOB-ZDUSSCGKSA-N 2 0 299.459 1.068 10 0 CDAERP CC(C)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001402899883 976571257 /nfs/dbraw/zinc/57/12/57/976571257.db2.gz DFTQGHIMAVUEDR-CABCVRRESA-N 2 0 281.444 1.659 10 0 CDAERP C[NH+](C)CCC(=O)NC1CC(C[NH2+]Cc2ccsc2)C1 ZINC001402959581 976618597 /nfs/dbraw/zinc/61/85/97/976618597.db2.gz WNZGYIZMPGIADU-UHFFFAOYSA-N 2 0 295.452 1.684 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CC[C@@H](C)F ZINC001390958029 976620792 /nfs/dbraw/zinc/62/07/92/976620792.db2.gz OBACEXWSNSFMME-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)CC1CC1 ZINC001391019818 976649317 /nfs/dbraw/zinc/64/93/17/976649317.db2.gz JRXISGYIFMUNKU-MRXNPFEDSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](F)C[N@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001399724124 976660417 /nfs/dbraw/zinc/66/04/17/976660417.db2.gz VELKOJQAQFFWTG-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@@H]([NH2+]CCF)[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001403016484 976663694 /nfs/dbraw/zinc/66/36/94/976663694.db2.gz ISGXUDMZYJKVDW-OLZOCXBDSA-N 2 0 295.402 1.814 10 0 CDAERP CC[C@@H](C)C[NH2+][C@@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001403076440 976695620 /nfs/dbraw/zinc/69/56/20/976695620.db2.gz VROKAOLTDBSWKR-KGLIPLIRSA-N 2 0 299.459 1.238 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1C[C@H]1CCCCO1 ZINC001399871009 976710073 /nfs/dbraw/zinc/71/00/73/976710073.db2.gz SQSHRSWRYUUCKI-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[N@H+](C)CC1CCCC1 ZINC001403180868 976790895 /nfs/dbraw/zinc/79/08/95/976790895.db2.gz JABRNVAXZKDXLT-CQSZACIVSA-N 2 0 293.455 1.709 10 0 CDAERP CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001403225195 976827012 /nfs/dbraw/zinc/82/70/12/976827012.db2.gz KXJXXLONVHMESL-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](C[C@H]2CCCCO2)C1 ZINC001391398453 976859377 /nfs/dbraw/zinc/85/93/77/976859377.db2.gz CNZCNFPSJFNSAZ-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cscn1 ZINC001408243259 976975802 /nfs/dbraw/zinc/97/58/02/976975802.db2.gz OLTYVNSZJAYDCL-LBPRGKRZSA-N 2 0 296.440 1.223 10 0 CDAERP CC[NH2+][C@@H](CCN(C)C(=O)[C@@H](CC)[NH+](C)C)C(C)C ZINC001381709859 976985977 /nfs/dbraw/zinc/98/59/77/976985977.db2.gz AUOPTGNHZKPKMA-UONOGXRCSA-N 2 0 271.449 1.809 10 0 CDAERP CC(C)CC[NH+]1CC([C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001381810346 977034630 /nfs/dbraw/zinc/03/46/30/977034630.db2.gz XRTRNTHTTKIHCO-CQSZACIVSA-N 2 0 295.471 1.811 10 0 CDAERP CC(C)C[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001382020991 977124621 /nfs/dbraw/zinc/12/46/21/977124621.db2.gz YKLUDLGMTGVCIV-KLHDSHLOSA-N 2 0 295.471 2.000 10 0 CDAERP CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]C[C@@H]1CCCOC1 ZINC001400931695 977248914 /nfs/dbraw/zinc/24/89/14/977248914.db2.gz ZBTQWILFVGXYEW-GJZGRUSLSA-N 2 0 299.459 1.238 10 0 CDAERP CC(C)[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CCF ZINC001392233323 977275833 /nfs/dbraw/zinc/27/58/33/977275833.db2.gz LTGASVNCTKFSAT-IHRRRGAJSA-N 2 0 287.423 1.417 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)C1CC[NH+](CC2CC2)CC1 ZINC001403987697 977295186 /nfs/dbraw/zinc/29/51/86/977295186.db2.gz RPLBCDQRIAGSDX-CQSZACIVSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C1CC[NH+](CC2CC2)CC1)[NH+](C)C ZINC001382561846 977307365 /nfs/dbraw/zinc/30/73/65/977307365.db2.gz YPAYCFMCVJKVMH-XJKSGUPXSA-N 2 0 295.471 1.953 10 0 CDAERP CCC[N@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)C1CC1 ZINC001404300402 977403534 /nfs/dbraw/zinc/40/35/34/977403534.db2.gz TWSORWUDXJXOIM-ZIAGYGMSSA-N 2 0 281.444 1.850 10 0 CDAERP CC(C)[NH2+]C[C@H](O)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001392385820 977424875 /nfs/dbraw/zinc/42/48/75/977424875.db2.gz ZONKCUVNSJZANT-AWEZNQCLSA-N 2 0 299.459 1.115 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccc(F)cc1F)NC(=O)CC[NH+](C)C ZINC001392594922 977498332 /nfs/dbraw/zinc/49/83/32/977498332.db2.gz QGAGSTNWDKXJNM-NSHDSACASA-N 2 0 299.365 1.511 10 0 CDAERP CC(C)CCC[NH+]1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001393022536 977678305 /nfs/dbraw/zinc/67/83/05/977678305.db2.gz SCKYVZXAVZUNMV-UHFFFAOYSA-N 2 0 293.455 1.661 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@]2(C)CC[NH+](CC3CCC3)C2)C1 ZINC001393118555 977707832 /nfs/dbraw/zinc/70/78/32/977707832.db2.gz LHEVMOHWRQZMIS-DOTOQJQBSA-N 2 0 293.455 1.709 10 0 CDAERP C[C@H]([NH2+]CC1CCCC1)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001393388563 977776369 /nfs/dbraw/zinc/77/63/69/977776369.db2.gz PPWXQRFVCPWFOO-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)CCC(=O)NC1CC(C[NH2+]Cc2ccccn2)C1 ZINC001393908130 977956003 /nfs/dbraw/zinc/95/60/03/977956003.db2.gz WKDZGVNAEOGXDI-UHFFFAOYSA-N 2 0 290.411 1.018 10 0 CDAERP CC[NH2+]C1CC(N(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001394857983 978286147 /nfs/dbraw/zinc/28/61/47/978286147.db2.gz DQWYQHJBRTYBRL-NRXISQOPSA-N 2 0 281.444 1.706 10 0 CDAERP Cc1nccn1CC(=O)NC1CC(C[NH2+]CC[C@H](C)F)C1 ZINC001674608754 1173967062 /nfs/dbraw/zinc/96/70/62/1173967062.db2.gz UDGAUKLPOSMBTL-XGNXJENSSA-N 2 0 296.390 1.424 10 0 CDAERP CCOCCC[N@H+](C)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001674992135 1174056054 /nfs/dbraw/zinc/05/60/54/1174056054.db2.gz TUSDTRRGDGIFTQ-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP CC[NH2+]CCC[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001571271118 1170356864 /nfs/dbraw/zinc/35/68/64/1170356864.db2.gz QOJRAJNYKKHTJH-LBPRGKRZSA-N 2 0 255.406 1.365 10 0 CDAERP C[NH+](C)CC1CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000055088876 282081433 /nfs/dbraw/zinc/08/14/33/282081433.db2.gz GYQPCXGDOGNBPA-KBPBESRZSA-N 2 0 267.417 1.304 10 0 CDAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000650743598 398171820 /nfs/dbraw/zinc/17/18/20/398171820.db2.gz XGXSOROSDRPTPI-LPWJVIDDSA-N 2 0 253.390 1.151 10 0 CDAERP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CCOCC(=O)OC(C)(C)C ZINC000601294156 342550031 /nfs/dbraw/zinc/55/00/31/342550031.db2.gz KXVFFLZZNGCDFE-OCCSQVGLSA-N 2 0 298.427 1.417 10 0 CDAERP Cn1cc(CC[NH+]2CCC(C[NH+]3CCCC3)CC2)nn1 ZINC000625083714 342029711 /nfs/dbraw/zinc/02/97/11/342029711.db2.gz UIHGUHKTBURUEH-UHFFFAOYSA-N 2 0 277.416 1.165 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CC1 ZINC000617008200 342605174 /nfs/dbraw/zinc/60/51/74/342605174.db2.gz DJGTVKDMURXAJC-KGLIPLIRSA-N 2 0 279.428 1.602 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000617014136 342607851 /nfs/dbraw/zinc/60/78/51/342607851.db2.gz GBCRWCXBMVKUNO-KBPBESRZSA-N 2 0 281.444 1.850 10 0 CDAERP CC(C)OC(=O)CC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000592478494 342699345 /nfs/dbraw/zinc/69/93/45/342699345.db2.gz FIGZVPKBHYYCBX-UONOGXRCSA-N 2 0 268.401 1.792 10 0 CDAERP COc1cccc(C[C@@H](C)[NH2+]CC2([NH3+])CCOCC2)n1 ZINC000629389454 361894949 /nfs/dbraw/zinc/89/49/49/361894949.db2.gz XYGNRQOCBYVEIN-GFCCVEGCSA-N 2 0 279.384 1.119 10 0 CDAERP C[C@@H](Cc1cccs1)[NH2+]CC1([NH3+])CCOCC1 ZINC000629388164 361905465 /nfs/dbraw/zinc/90/54/65/361905465.db2.gz NWTBQOOXJZOGEQ-NSHDSACASA-N 2 0 254.399 1.777 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)CCc1ccccc1 ZINC000629391621 361917573 /nfs/dbraw/zinc/91/75/73/361917573.db2.gz BWGBNFSGFVNGDV-CQSZACIVSA-N 2 0 250.386 1.833 10 0 CDAERP CN(C[C@H](O)C[NH2+][C@]1(CO)CCCC(C)(C)C1)C1CC1 ZINC000625836422 342203220 /nfs/dbraw/zinc/20/32/20/342203220.db2.gz GEOYRFLOCASYGS-GDBMZVCRSA-N 2 0 284.444 1.362 10 0 CDAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(F)c2cccnc12 ZINC000263138912 361923401 /nfs/dbraw/zinc/92/34/01/361923401.db2.gz CEVCQDHZXZCNAE-SMDDNHRTSA-N 2 0 275.327 1.044 10 0 CDAERP COc1ccc(C[NH2+]CCOCCC[NH3+])cc1F ZINC000629398049 361930366 /nfs/dbraw/zinc/93/03/66/361930366.db2.gz KSANIRCDHJWBMD-UHFFFAOYSA-N 2 0 256.321 1.289 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCc1ccccc1F ZINC000234721334 536594372 /nfs/dbraw/zinc/59/43/72/536594372.db2.gz PBEOLZBDQFKDKB-CYBMUJFWSA-N 2 0 254.349 1.712 10 0 CDAERP CC1(C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CCC1 ZINC000434767785 539044497 /nfs/dbraw/zinc/04/44/97/539044497.db2.gz SSCPWZXYFOELPZ-CYBMUJFWSA-N 2 0 267.417 1.354 10 0 CDAERP C[C@H]1[NH2+]CCC[C@H]1NC(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000333731087 539054828 /nfs/dbraw/zinc/05/48/28/539054828.db2.gz WEHJBOZEDJEFNH-IUODEOHRSA-N 2 0 294.443 1.301 10 0 CDAERP NC(=O)C1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000156007336 539098510 /nfs/dbraw/zinc/09/85/10/539098510.db2.gz OUNOUJZMZLXQOI-NWINJMCUSA-N 2 0 265.401 1.247 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000262673018 282193670 /nfs/dbraw/zinc/19/36/70/282193670.db2.gz PXOQPHWSLANGHF-LEOABGAYSA-N 2 0 293.455 1.896 10 0 CDAERP CSC[C@@](C)(O)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000594922026 342987615 /nfs/dbraw/zinc/98/76/15/342987615.db2.gz OEIWPYXRFJTEPA-AWEZNQCLSA-N 2 0 292.408 1.471 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108552330 349744083 /nfs/dbraw/zinc/74/40/83/349744083.db2.gz RNGCPHOVCMPLPR-UKRRQHHQSA-N 2 0 296.459 1.500 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000079253962 342343175 /nfs/dbraw/zinc/34/31/75/342343175.db2.gz SEVRKSQMHSRVCY-RBSFLKMASA-N 2 0 296.459 1.643 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](n1cccn1)C(F)(F)F ZINC000629513358 362127480 /nfs/dbraw/zinc/12/74/80/362127480.db2.gz HQGIARLFLGMBPJ-GHMZBOCLSA-N 2 0 294.321 1.330 10 0 CDAERP Cn1ncc(C(F)(F)F)c1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000629513964 362128606 /nfs/dbraw/zinc/12/86/06/362128606.db2.gz NOFFMJPZALDSDK-WPRPVWTQSA-N 2 0 276.306 1.656 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc(NC(C)=O)cc1 ZINC000629529618 362158896 /nfs/dbraw/zinc/15/88/96/362158896.db2.gz ISXRRMDMKWWEGZ-LBPRGKRZSA-N 2 0 279.384 1.532 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](COC)c1ccc(Cl)cc1 ZINC000629530757 362160680 /nfs/dbraw/zinc/16/06/80/362160680.db2.gz QIODPUUNYFECEB-AWEZNQCLSA-N 2 0 286.803 1.853 10 0 CDAERP CC[NH+]1CCC(CNc2nc(N)[nH+]c3c2CCCC3)CC1 ZINC000645136701 362149733 /nfs/dbraw/zinc/14/97/33/362149733.db2.gz XSMWVVBSAJCLTQ-UHFFFAOYSA-N 2 0 289.427 1.334 10 0 CDAERP CN1CCOC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000629532435 362166182 /nfs/dbraw/zinc/16/61/82/362166182.db2.gz AOHZCQKXRZVHLI-XUWVNRHRSA-N 2 0 281.444 1.217 10 0 CDAERP C(C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)OC1CCOCC1 ZINC000629532276 362164573 /nfs/dbraw/zinc/16/45/73/362164573.db2.gz TXSMSSBFKCCBFS-OAHLLOKOSA-N 2 0 282.428 1.504 10 0 CDAERP CN(C(=O)CC[C@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH2+]C1 ZINC000572958925 362250983 /nfs/dbraw/zinc/25/09/83/362250983.db2.gz RPBCWQSZTNERRB-CHWSQXEVSA-N 2 0 253.390 1.071 10 0 CDAERP O=C(NCC1CC[NH2+]CC1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000246235965 343956515 /nfs/dbraw/zinc/95/65/15/343956515.db2.gz FVGKOZKJLXOSSX-MJBXVCDLSA-N 2 0 265.401 1.023 10 0 CDAERP C[C@@H](C(=O)N1CCC2(CC[NH2+]2)CC1)[NH+]1CCCCCC1 ZINC000335605451 295717926 /nfs/dbraw/zinc/71/79/26/295717926.db2.gz RRMXLICPEMDOSO-AWEZNQCLSA-N 2 0 279.428 1.605 10 0 CDAERP COC[C@H](C)C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000575106178 362402252 /nfs/dbraw/zinc/40/22/52/362402252.db2.gz DSRUFDIVPDORHK-YUELXQCFSA-N 2 0 270.417 1.487 10 0 CDAERP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCCc3n[nH]cc32)CC1 ZINC000367591382 362448351 /nfs/dbraw/zinc/44/83/51/362448351.db2.gz ZIXNSWWXPRLUAW-HNNXBMFYSA-N 2 0 291.443 1.404 10 0 CDAERP C[C@@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)[C@H](C)[NH3+] ZINC000623066321 344643636 /nfs/dbraw/zinc/64/36/36/344643636.db2.gz DSQHCPAFYTZZJC-WDEREUQCSA-N 2 0 264.373 1.605 10 0 CDAERP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000262270320 344697205 /nfs/dbraw/zinc/69/72/05/344697205.db2.gz IGGLSVNKFCRCBZ-NPJQDHAYSA-N 2 0 295.471 1.987 10 0 CDAERP CSCCC(=O)Nc1c[nH+]ccc1N1CCN(C)CC1 ZINC000604341952 344881160 /nfs/dbraw/zinc/88/11/60/344881160.db2.gz OYWNWLZZDOIFRI-UHFFFAOYSA-N 2 0 294.424 1.525 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+][C@H]1c2ccccc2CN(C)C1=O ZINC000623240256 345743496 /nfs/dbraw/zinc/74/34/96/345743496.db2.gz FICSQWYKGDZUEI-WFASDCNBSA-N 2 0 275.396 1.807 10 0 CDAERP CCC[NH2+][C@@](C)(CO)CCN(C)CC[NH+]1CCCC1 ZINC000085213095 178977281 /nfs/dbraw/zinc/97/72/81/178977281.db2.gz PGQXIIOAYYDRHS-OAHLLOKOSA-N 2 0 271.449 1.155 10 0 CDAERP CC[N@@H+]1CC[C@H](CN[C@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623361411 346089874 /nfs/dbraw/zinc/08/98/74/346089874.db2.gz ALCZHHMIPRKKGL-KGLIPLIRSA-N 2 0 253.434 1.791 10 0 CDAERP COCCN1CCC[C@H]1C[NH2+]Cc1cccc2n[nH]cc21 ZINC000623398540 346155669 /nfs/dbraw/zinc/15/56/69/346155669.db2.gz INGBDZAIJLWQCD-AWEZNQCLSA-N 2 0 288.395 1.763 10 0 CDAERP CC(C)(C)C1CC[NH+](C[C@@](O)(C[NH3+])C2CC2)CC1 ZINC000085302108 179010838 /nfs/dbraw/zinc/01/08/38/179010838.db2.gz MQJHGKIFJTZUNC-HNNXBMFYSA-N 2 0 254.418 1.844 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCC[C@@H]1[NH3+])c1ccccc1 ZINC000085370696 179040876 /nfs/dbraw/zinc/04/08/76/179040876.db2.gz UAMWPBZUWPNUAY-PMPSAXMXSA-N 2 0 289.423 1.923 10 0 CDAERP CC[C@H](C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)OC ZINC000412978987 362741081 /nfs/dbraw/zinc/74/10/81/362741081.db2.gz ROLGLRYQWUVZOV-JKSUJKDBSA-N 2 0 283.460 1.513 10 0 CDAERP Cc1nccn1CC[N@H+]1C[C@@H](C(C)C)[NH2+]CC[C@@H]1C ZINC000085618091 179104349 /nfs/dbraw/zinc/10/43/49/179104349.db2.gz IWRIJKCQZPSNOV-ZFWWWQNUSA-N 2 0 264.417 1.900 10 0 CDAERP CCO[C@H]1C[C@@H]([NH2+]CCN2CC[NH+](C)CC2)C12CCCC2 ZINC000085680069 179113097 /nfs/dbraw/zinc/11/30/97/179113097.db2.gz GRFZCAVBCXGNAA-CVEARBPZSA-N 2 0 295.471 1.561 10 0 CDAERP CCCCOC[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000227889408 346533821 /nfs/dbraw/zinc/53/38/21/346533821.db2.gz LHFOAULZMMVJBL-DZGCQCFKSA-N 2 0 270.417 1.238 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC000635940486 362789632 /nfs/dbraw/zinc/78/96/32/362789632.db2.gz LONQKGQJPNPVPM-QWHCGFSZSA-N 2 0 255.406 1.173 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCC(F)(F)[C@H]2O)CC1(C)C ZINC000623550934 347629021 /nfs/dbraw/zinc/62/90/21/347629021.db2.gz DORXSJOQWSZRCB-UTUOFQBUSA-N 2 0 276.371 1.998 10 0 CDAERP COC[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)[C@@H]1CCCO1 ZINC000623510460 347609929 /nfs/dbraw/zinc/60/99/29/347609929.db2.gz YVUHLBDFSCSKQM-RDBSUJKOSA-N 2 0 270.417 1.643 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)CC1(C)C ZINC000623516993 347613921 /nfs/dbraw/zinc/61/39/21/347613921.db2.gz NOXKAVNDODHAHF-MELADBBJSA-N 2 0 286.460 1.607 10 0 CDAERP C[C@@H]1CN(C(=O)NC/C=C\C[NH3+])CC[N@@H+](C2CCC2)C1 ZINC000641863114 365948535 /nfs/dbraw/zinc/94/85/35/365948535.db2.gz XZJDVCNUXLNOAZ-ZRMMWKCHSA-N 2 0 280.416 1.017 10 0 CDAERP C[C@@H]1C[C@@H](C[N@H+](C)[C@H]2CCN(C3CC3)C2)CC[NH2+]1 ZINC000414691875 365948997 /nfs/dbraw/zinc/94/89/97/365948997.db2.gz KAWHHAYPEYCMLE-IPYPFGDCSA-N 2 0 251.418 1.543 10 0 CDAERP C[C@@H]([NH3+])[C@H](c1ccncc1)N(C)CCC[NH+](C)C ZINC000104186977 185919192 /nfs/dbraw/zinc/91/91/92/185919192.db2.gz HEJGTMZCHFOKJP-TZMCWYRMSA-N 2 0 250.390 1.353 10 0 CDAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCOC2)[C@H](C)C1 ZINC000643911078 362938789 /nfs/dbraw/zinc/93/87/89/362938789.db2.gz SIHYWNNSEHAYRH-RBSFLKMASA-N 2 0 270.417 1.502 10 0 CDAERP CC(C)[C@@H]([NH2+]CCOCCC[NH3+])c1cccnc1 ZINC000629535998 362950310 /nfs/dbraw/zinc/95/03/10/362950310.db2.gz DXXFCIPKGIGYRE-CQSZACIVSA-N 2 0 251.374 1.734 10 0 CDAERP C[NH+](C)CCC[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CCO1 ZINC000620967360 350388986 /nfs/dbraw/zinc/38/89/86/350388986.db2.gz RPHHXGPHLNVMHE-GJZGRUSLSA-N 2 0 297.443 1.040 10 0 CDAERP COc1ccc2c(c1F)CC[C@H]2[NH2+]CCOCCC[NH3+] ZINC000629535307 362960961 /nfs/dbraw/zinc/96/09/61/362960961.db2.gz BXUQQVYSCMCGJQ-CYBMUJFWSA-N 2 0 282.359 1.777 10 0 CDAERP Cc1noc(C2CCC([NH2+]CCOCCC[NH3+])CC2)n1 ZINC000629541395 362965151 /nfs/dbraw/zinc/96/51/51/362965151.db2.gz ZOYGZJWZYWFYSX-UHFFFAOYSA-N 2 0 282.388 1.359 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000629545694 362971070 /nfs/dbraw/zinc/97/10/70/362971070.db2.gz MMBAQHKXVBHSAL-CRNXPOROSA-N 2 0 287.407 1.582 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000641937762 365982294 /nfs/dbraw/zinc/98/22/94/365982294.db2.gz HDMPHKPFDCPLIU-ABHRYQDASA-N 2 0 294.443 1.380 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)CC[C@@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000621651299 350689814 /nfs/dbraw/zinc/68/98/14/350689814.db2.gz JWGOUIREOGJKTR-JYJNAYRXSA-N 2 0 295.471 1.955 10 0 CDAERP CN(CCOc1ccccc1C[NH3+])CC[NH+](C)C ZINC000111131920 186356207 /nfs/dbraw/zinc/35/62/07/186356207.db2.gz SXLOQFFGBWBDHS-UHFFFAOYSA-N 2 0 251.374 1.018 10 0 CDAERP CC(C)[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000253024994 535158428 /nfs/dbraw/zinc/15/84/28/535158428.db2.gz MRSNPDXFBUBXAW-KBUPBQIOSA-N 2 0 254.418 1.904 10 0 CDAERP O[C@@H](C[NH2+]CCCc1cccc(F)c1)C[NH+]1CCCC1 ZINC000629560503 363005933 /nfs/dbraw/zinc/00/59/33/363005933.db2.gz DOADCFNKIADXES-INIZCTEOSA-N 2 0 280.387 1.805 10 0 CDAERP CN(CC[N@H+](C)C1CC1)C(=O)c1ccc(C[NH+](C)C)nc1 ZINC000622519257 351204559 /nfs/dbraw/zinc/20/45/59/351204559.db2.gz XQMLDZBYDARNSS-UHFFFAOYSA-N 2 0 290.411 1.309 10 0 CDAERP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCCCO1)CN1CC[NH+](C)CC1 ZINC000623886634 351318646 /nfs/dbraw/zinc/31/86/46/351318646.db2.gz HOSYUXVTDOSRPD-PMPSAXMXSA-N 2 0 283.460 1.417 10 0 CDAERP Cc1cc(CC[NH2+]C[C@H](O)C[NH+]2CCCC2)cc(C)c1O ZINC000629577125 363035218 /nfs/dbraw/zinc/03/52/18/363035218.db2.gz QAVKTNBGBDITAB-INIZCTEOSA-N 2 0 292.423 1.598 10 0 CDAERP C[C@@H]1CCC[C@H](C)N1C(=O)CN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584046 363039478 /nfs/dbraw/zinc/03/94/78/363039478.db2.gz KNFYQCCUYFXSJK-MDBPOYHNSA-N 2 0 293.455 1.707 10 0 CDAERP O[C@@H](C[NH2+]CC1(C(F)(F)F)CC1)C[NH+]1CCCC1 ZINC000629580743 363041242 /nfs/dbraw/zinc/04/12/42/363041242.db2.gz GKTRLKLNMPQBMX-JTQLQIEISA-N 2 0 266.307 1.375 10 0 CDAERP O[C@H](C[NH2+]CC1(C(F)(F)F)CC1)C[NH+]1CCCC1 ZINC000629580744 363042102 /nfs/dbraw/zinc/04/21/02/363042102.db2.gz GKTRLKLNMPQBMX-SNVBAGLBSA-N 2 0 266.307 1.375 10 0 CDAERP [NH3+]C[C@@H]1CCCN(CC[C@H]2CCC[NH2+]C2)[C@@H]1C(F)(F)F ZINC000629582424 363048090 /nfs/dbraw/zinc/04/80/90/363048090.db2.gz UEXAFOOMBKMXGF-AGIUHOORSA-N 2 0 293.377 1.978 10 0 CDAERP COc1ccc([C@H]2CCN(C[C@@H](C)[NH3+])C2)cc1F ZINC000629588417 363062941 /nfs/dbraw/zinc/06/29/41/363062941.db2.gz HJHWFXWUMQMZRG-PWSUYJOCSA-N 2 0 252.333 1.971 10 0 CDAERP CC[C@]1(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)CCC[NH2+]1 ZINC000122306682 187026177 /nfs/dbraw/zinc/02/61/77/187026177.db2.gz YGZKWLSIFYZQNJ-KCQAQPDRSA-N 2 0 265.401 1.214 10 0 CDAERP C[N@@H+](Cc1ccccc1)C[C@@H](O)CNC[C@@H]1CCC[NH+]1C ZINC000629611725 363201517 /nfs/dbraw/zinc/20/15/17/363201517.db2.gz CJWWTZRSCMPISQ-IRXDYDNUSA-N 2 0 291.439 1.163 10 0 CDAERP CC(C)CC[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001660146580 1172165857 /nfs/dbraw/zinc/16/58/57/1172165857.db2.gz PPFUMDQLCADUQD-HUUCEWRRSA-N 2 0 283.460 1.811 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1c[nH]nc1-c1cccs1 ZINC000629653047 363252907 /nfs/dbraw/zinc/25/29/07/363252907.db2.gz LGMXATCPTHSRIM-UHFFFAOYSA-N 2 0 294.424 1.806 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC[NH+]3CCC[C@@H]3C2)CC[N@@H+]1C ZINC000368102779 291037669 /nfs/dbraw/zinc/03/76/69/291037669.db2.gz PTGZHSNETQVJIO-SOUVJXGZSA-N 2 0 279.428 1.413 10 0 CDAERP CCN(CC)C(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047968879 355931812 /nfs/dbraw/zinc/93/18/12/355931812.db2.gz BEUQAKBCVUDKCC-UHFFFAOYSA-N 2 0 281.444 1.663 10 0 CDAERP O=C(C[C@@H]1CCC[NH2+]CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000336415922 356171114 /nfs/dbraw/zinc/17/11/14/356171114.db2.gz ZYFDNWBMUULCES-ZIAGYGMSSA-N 2 0 265.401 1.073 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000336600669 356217171 /nfs/dbraw/zinc/21/71/71/356217171.db2.gz NUULGOPYEVCMEN-QWHCGFSZSA-N 2 0 265.401 1.106 10 0 CDAERP OCC[NH2+]CCC[NH2+]Cc1cccc(Br)c1 ZINC000013732866 356355769 /nfs/dbraw/zinc/35/57/69/356355769.db2.gz WUUHZBUBZRISFJ-UHFFFAOYSA-N 2 0 287.201 1.511 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)[C@@H]1CCCC12CC2 ZINC000628050764 356441127 /nfs/dbraw/zinc/44/11/27/356441127.db2.gz MIYVBHSNBCXPNW-GJZGRUSLSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000418195551 283184755 /nfs/dbraw/zinc/18/47/55/283184755.db2.gz BTYWVGKWGQJFBO-RDBSUJKOSA-N 2 0 284.448 1.404 10 0 CDAERP CC[C@H](Cc1ccccc1)[N@H+](C)C[C@@H]1CNCCO1 ZINC000124474820 538451023 /nfs/dbraw/zinc/45/10/23/538451023.db2.gz XAEOISRSSCVDDT-CVEARBPZSA-N 2 0 262.397 1.928 10 0 CDAERP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)CC[N@@H+]1C ZINC000636109211 363538513 /nfs/dbraw/zinc/53/85/13/363538513.db2.gz GZOXYEXROWKLSV-FVCCEPFGSA-N 2 0 267.417 1.172 10 0 CDAERP C[C@H]1C[C@@H](C[N@@H+]2CCc3cc[nH]c(=O)c3C2)CC[NH2+]1 ZINC000414759748 366321248 /nfs/dbraw/zinc/32/12/48/366321248.db2.gz PBUNZZZDPBTMPT-RYUDHWBXSA-N 2 0 261.369 1.533 10 0 CDAERP C[C@](O)(C[C@H](O)C[NH2+]CC1CC[NH+](C2CC2)CC1)C1CC1 ZINC000634713603 357413913 /nfs/dbraw/zinc/41/39/13/357413913.db2.gz YTGAGEGABRBNSE-IRXDYDNUSA-N 2 0 296.455 1.362 10 0 CDAERP CC[C@H](CN1CCCC1)[NH2+]C[C@H](O)C[C@](C)(O)C1CC1 ZINC000634704622 357381359 /nfs/dbraw/zinc/38/13/59/357381359.db2.gz MYTSZQRBYCOXEN-OAGGEKHMSA-N 2 0 284.444 1.362 10 0 CDAERP C[N@H+](CCCNC(=O)[C@@H]1CC[C@H]([NH3+])C1)C1CCCCC1 ZINC000091545532 357718021 /nfs/dbraw/zinc/71/80/21/357718021.db2.gz XWFDUTVCLFLERM-KGLIPLIRSA-N 2 0 281.444 1.885 10 0 CDAERP C[NH2+]C[C@H](C)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000092134906 357726547 /nfs/dbraw/zinc/72/65/47/357726547.db2.gz PFJJJUKZVGHFLG-ZDUSSCGKSA-N 2 0 267.417 1.176 10 0 CDAERP C[N@H+](CCO)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000177710609 366456495 /nfs/dbraw/zinc/45/64/95/366456495.db2.gz HLCISVVFBXDVRO-KRWDZBQOSA-N 2 0 292.423 1.356 10 0 CDAERP C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000569572927 358628997 /nfs/dbraw/zinc/62/89/97/358628997.db2.gz IWLCOYULQBNTFE-SOUVJXGZSA-N 2 0 281.444 1.694 10 0 CDAERP C[C@H]1CCC[N@@H+](C(C)(C)CNC2=[NH+]CCCN2)C1 ZINC000261895962 359081130 /nfs/dbraw/zinc/08/11/30/359081130.db2.gz UWSXLQAECJMLSY-LBPRGKRZSA-N 2 0 252.406 1.436 10 0 CDAERP C[N@H+](C[C@]1(C)CC[NH2+]C1)C1CCN(c2cnccn2)CC1 ZINC000261940824 359097234 /nfs/dbraw/zinc/09/72/34/359097234.db2.gz DQMQFEHTQAPWTE-MRXNPFEDSA-N 2 0 289.427 1.377 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000262327555 359159272 /nfs/dbraw/zinc/15/92/72/359159272.db2.gz DMTKGIDTTRSXKP-ZNMIVQPWSA-N 2 0 281.444 1.611 10 0 CDAERP C[NH2+]C1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000237095405 359271610 /nfs/dbraw/zinc/27/16/10/359271610.db2.gz QTUICGVZLNKTSW-UHFFFAOYSA-N 2 0 275.396 1.572 10 0 CDAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1([NH3+])CCCCC1 ZINC000251941626 140315366 /nfs/dbraw/zinc/31/53/66/140315366.db2.gz ZQBLUZIYTKJVDZ-STQMWFEESA-N 2 0 265.401 1.343 10 0 CDAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000422922724 359677707 /nfs/dbraw/zinc/67/77/07/359677707.db2.gz UFBVOPVQNVBYQT-NPJQDHAYSA-N 2 0 293.455 1.896 10 0 CDAERP Cn1cc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])c(C(F)(F)F)n1 ZINC000422967277 359725704 /nfs/dbraw/zinc/72/57/04/359725704.db2.gz OUPSSLIPWHKIHL-WCBMZHEXSA-N 2 0 276.306 1.656 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C2CCC(C(N)=O)CC2)[C@H]2CCC[C@@H]21 ZINC000560521402 359737223 /nfs/dbraw/zinc/73/72/23/359737223.db2.gz MMXRCFFLNYAUJK-IFOPZJACSA-N 2 0 279.428 1.493 10 0 CDAERP COc1cccc(CC[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)n1 ZINC000423007926 359737517 /nfs/dbraw/zinc/73/75/17/359737517.db2.gz RVTWJGSISKCMDN-JSGCOSHPSA-N 2 0 263.385 1.610 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](CO)c1ccccc1 ZINC000423007320 359737710 /nfs/dbraw/zinc/73/77/10/359737710.db2.gz QGBQHQCXAYSTKL-HIFRSBDPSA-N 2 0 250.386 1.870 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1cc(F)cc(OC)c1 ZINC000423012514 359741446 /nfs/dbraw/zinc/74/14/46/359741446.db2.gz DGUCZUJCYUPGDO-CYBMUJFWSA-N 2 0 270.348 1.678 10 0 CDAERP CCSCC[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000336714981 359764234 /nfs/dbraw/zinc/76/42/34/359764234.db2.gz RVMMVGVDKLPJBY-UHFFFAOYSA-N 2 0 260.447 1.782 10 0 CDAERP Cc1nccn1CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000336820743 359876079 /nfs/dbraw/zinc/87/60/79/359876079.db2.gz FFBGEFAJNVMJCE-UHFFFAOYSA-N 2 0 276.428 1.999 10 0 CDAERP C[NH2+]C1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000336528220 363697531 /nfs/dbraw/zinc/69/75/31/363697531.db2.gz IPXCUADELLBKJZ-TXEJJXNPSA-N 2 0 253.390 1.070 10 0 CDAERP C[NH2+]CCC1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000262062350 283507596 /nfs/dbraw/zinc/50/75/96/283507596.db2.gz OBNRHPOPBNEGID-OAGGEKHMSA-N 2 0 293.455 1.755 10 0 CDAERP CN(C)C(=O)C1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000356873085 366603557 /nfs/dbraw/zinc/60/35/57/366603557.db2.gz KESUJFNDULWPOB-OAHLLOKOSA-N 2 0 281.444 1.661 10 0 CDAERP O=C([C@H]1C[NH2+]Cc2ccccc21)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000335423135 360251899 /nfs/dbraw/zinc/25/18/99/360251899.db2.gz KVFXKRKGFQERGG-WMZOPIPTSA-N 2 0 299.418 1.476 10 0 CDAERP C[C@@H](CC(=O)N1CCC2(CC[NH2+]2)CC1)[C@H]1CCC[NH2+]C1 ZINC000335407071 360227905 /nfs/dbraw/zinc/22/79/05/360227905.db2.gz QXHIEEMCSNDBBF-KBPBESRZSA-N 2 0 279.428 1.367 10 0 CDAERP CC1(C)CN(C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC[NH2+]1 ZINC000335526065 360312772 /nfs/dbraw/zinc/31/27/72/360312772.db2.gz SXKFMHOBTUQMOO-OLZOCXBDSA-N 2 0 267.417 1.495 10 0 CDAERP C[C@H](Cc1c[nH]cn1)C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000569621989 360321695 /nfs/dbraw/zinc/32/16/95/360321695.db2.gz UWXCTSBYHHMZIQ-RISCZKNCSA-N 2 0 276.384 1.141 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000566481253 360449013 /nfs/dbraw/zinc/44/90/13/360449013.db2.gz BRBAMIGMVLPLHX-YHNBSYBMSA-N 3 0 280.460 1.062 10 0 CDAERP CCC1([NH+](C)C)CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000635001169 360642922 /nfs/dbraw/zinc/64/29/22/360642922.db2.gz IXCLEIKBXNFZRG-CQSZACIVSA-N 2 0 253.434 1.792 10 0 CDAERP c1ccc(C[N@H+]2CCCN(CC34CC(C3)C[NH2+]4)CC2)cc1 ZINC000634991486 360618432 /nfs/dbraw/zinc/61/84/32/360618432.db2.gz GMKKFJKVUYSUNG-UHFFFAOYSA-N 2 0 285.435 1.946 10 0 CDAERP C[C@H]1C[C@@H](NC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[N@@H+]1C1CC1 ZINC000417857664 360784799 /nfs/dbraw/zinc/78/47/99/360784799.db2.gz OOUYLKPYCVNERT-IGQOVBAYSA-N 2 0 292.427 1.148 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)C[N@@H+]1C1CC1 ZINC000417859523 360785107 /nfs/dbraw/zinc/78/51/07/360785107.db2.gz RZMBKVYDLNGUIE-UKTARXLSSA-N 2 0 292.427 1.005 10 0 CDAERP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1N(C)C(=O)C[NH3+] ZINC000178869177 189151332 /nfs/dbraw/zinc/15/13/32/189151332.db2.gz KSKNTUNZHZXNAM-KBPBESRZSA-N 2 0 289.423 1.560 10 0 CDAERP C[C@H](CC(=O)N1CCC(c2c[nH]cn2)CC1)n1ccnc1 ZINC000519602689 361374649 /nfs/dbraw/zinc/37/46/49/361374649.db2.gz HOKDESJRBQELBZ-GFCCVEGCSA-N 2 0 287.367 1.964 10 0 CDAERP Cc1nc(F)ccc1C[NH2+]CCCN1CC[NH+](C)CC1 ZINC000278322054 366825983 /nfs/dbraw/zinc/82/59/83/366825983.db2.gz FONWIZJESIQXSK-UHFFFAOYSA-N 2 0 280.391 1.256 10 0 CDAERP C[C@@H]1CCC[C@@](CNC(=O)NC/C=C/C[NH3+])([NH+](C)C)C1 ZINC000669402882 482885314 /nfs/dbraw/zinc/88/53/14/482885314.db2.gz SPWGISWGXABEMV-BCBDKAHJSA-N 2 0 282.432 1.311 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C=C[C@H](CO)C2)[C@H]2CCC[C@H]21 ZINC000353390592 365177914 /nfs/dbraw/zinc/17/79/14/365177914.db2.gz ZXRUNENVFXSDEQ-VYDRJRHOSA-N 2 0 250.386 1.386 10 0 CDAERP C[C@@H](CNC(=O)c1c[nH+]ccc1N(C)C)C[NH+](C)C ZINC000293782974 370794340 /nfs/dbraw/zinc/79/43/40/370794340.db2.gz OHGMURYHTNIBPU-NSHDSACASA-N 2 0 264.373 1.075 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000136411408 482917237 /nfs/dbraw/zinc/91/72/37/482917237.db2.gz HZUHAOGBNRYSCW-KGLIPLIRSA-N 2 0 269.433 1.598 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC[N@@H+]1C ZINC000626987192 367151630 /nfs/dbraw/zinc/15/16/30/367151630.db2.gz ZWPWWYUTDQBFDH-XOUADPBQSA-N 2 0 294.443 1.110 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000626998559 367219959 /nfs/dbraw/zinc/21/99/59/367219959.db2.gz POBDIPPOSINYLF-BFHYXJOUSA-N 2 0 282.432 1.014 10 0 CDAERP C[C@]1(CN2CCC[C@@H]([NH+]3CCCC3)C2)CC[NH2+]C1 ZINC000261969981 291380636 /nfs/dbraw/zinc/38/06/36/291380636.db2.gz IDJBSCLSQVDBPQ-CABCVRRESA-N 2 0 251.418 1.546 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627041893 367286005 /nfs/dbraw/zinc/28/60/05/367286005.db2.gz RWTWCXCHRDLAMF-KGLIPLIRSA-N 2 0 296.459 1.691 10 0 CDAERP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627117754 367482305 /nfs/dbraw/zinc/48/23/05/367482305.db2.gz WQGKEJDQNRBJCW-ILXRZTDVSA-N 2 0 296.459 1.547 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCCC[C@H]1CCC[NH2+]1)C2 ZINC000627101218 367439214 /nfs/dbraw/zinc/43/92/14/367439214.db2.gz SURCWMSWFREFCS-BMFZPTHFSA-N 2 0 294.443 1.160 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000627110807 367460943 /nfs/dbraw/zinc/46/09/43/367460943.db2.gz LBIKMGFYVFVOIB-OAHLLOKOSA-N 2 0 290.411 1.299 10 0 CDAERP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CCc1cnc(C2CC2)nc1 ZINC000358223258 367522286 /nfs/dbraw/zinc/52/22/86/367522286.db2.gz JUGHGLFEDMLABP-MLGOLLRUSA-N 2 0 286.423 1.969 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000627158785 367587101 /nfs/dbraw/zinc/58/71/01/367587101.db2.gz DTHHIQMPJSQTIM-RRFJBIMHSA-N 2 0 294.443 1.301 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000417019896 242273471 /nfs/dbraw/zinc/27/34/71/242273471.db2.gz FBGFPXBEGMRMNA-ZIAGYGMSSA-N 2 0 284.448 1.533 10 0 CDAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCC(C)(C)[NH3+] ZINC000417196763 242354952 /nfs/dbraw/zinc/35/49/52/242354952.db2.gz PMKYFKYYFBJDFH-AWEZNQCLSA-N 2 0 292.427 1.196 10 0 CDAERP C[C@@H](C[NH3+])CNC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000417201240 242356750 /nfs/dbraw/zinc/35/67/50/242356750.db2.gz VVURDCFNVIENMR-DZGCQCFKSA-N 2 0 292.427 1.053 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)C[NH+](C)C)CC1 ZINC000340113331 367688824 /nfs/dbraw/zinc/68/88/24/367688824.db2.gz GSGNXLAYRPMJSP-UHFFFAOYSA-N 2 0 255.406 1.128 10 0 CDAERP CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627202353 367696173 /nfs/dbraw/zinc/69/61/73/367696173.db2.gz IERFTSOQUAGVEF-ZIAGYGMSSA-N 2 0 284.448 1.500 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000417609068 242556216 /nfs/dbraw/zinc/55/62/16/242556216.db2.gz JXMQPZWESAIRCA-QWHCGFSZSA-N 2 0 270.421 1.016 10 0 CDAERP CC[C@@H]1[C@@H](C)CC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000360451576 368299325 /nfs/dbraw/zinc/29/93/25/368299325.db2.gz HJMANICTMRCWKZ-XJKSGUPXSA-N 2 0 293.455 1.850 10 0 CDAERP CCC([NH3+])(CC)CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000418441992 243081679 /nfs/dbraw/zinc/08/16/79/243081679.db2.gz SGRLJEOYJXCNNY-CHWSQXEVSA-N 2 0 284.448 1.628 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000418460442 243105937 /nfs/dbraw/zinc/10/59/37/243105937.db2.gz KCJWNNXAAOKPOO-XUJVJEKNSA-N 2 0 290.411 1.504 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000418575955 243228777 /nfs/dbraw/zinc/22/87/77/243228777.db2.gz NSVOHBWKFXMMFR-IAQYHMDHSA-N 2 0 288.395 1.087 10 0 CDAERP C[NH2+][C@@H]1CCCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000567233626 370925255 /nfs/dbraw/zinc/92/52/55/370925255.db2.gz ZUDIUCWIWQHJSM-ZIAGYGMSSA-N 2 0 267.417 1.461 10 0 CDAERP CC[C@@H]1CN(CC[C@@H]2CCC[N@@H+]2C)C[C@@]2(CCOC2)O1 ZINC000361507344 368858776 /nfs/dbraw/zinc/85/87/76/368858776.db2.gz DPQXTONTZWXDCZ-ARFHVFGLSA-N 2 0 282.428 1.741 10 0 CDAERP CN(CCC(=O)N1CCC[N@H+](C)CC1)c1cc[nH+]cc1 ZINC000543715567 368957711 /nfs/dbraw/zinc/95/77/11/368957711.db2.gz WRUHZYRCJNZPAX-UHFFFAOYSA-N 2 0 276.384 1.072 10 0 CDAERP CC(C)CC[C@@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000638275759 369083080 /nfs/dbraw/zinc/08/30/80/369083080.db2.gz OPMRHTGPSWRCAE-CHWSQXEVSA-N 2 0 255.406 1.303 10 0 CDAERP Cc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c(C)n1 ZINC000420349974 244123689 /nfs/dbraw/zinc/12/36/89/244123689.db2.gz RBFYSIVUWVZAAY-MRXNPFEDSA-N 2 0 274.412 1.178 10 0 CDAERP Cn1cc(C[N@H+](C)CC[C@H]2CC[NH2+]C2)c(C(F)(F)F)n1 ZINC000420376364 244169883 /nfs/dbraw/zinc/16/98/83/244169883.db2.gz QQEMKXYTUWZVIK-SNVBAGLBSA-N 2 0 290.333 1.870 10 0 CDAERP C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@]1(C)C[NH3+] ZINC000638336688 369465370 /nfs/dbraw/zinc/46/53/70/369465370.db2.gz GBBOSXQIDMATKK-UKRRQHHQSA-N 2 0 279.428 1.306 10 0 CDAERP CC[NH+]1CCC(CNC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000567336362 370955444 /nfs/dbraw/zinc/95/54/44/370955444.db2.gz XKGRZXDYKMRWIP-TZMCWYRMSA-N 2 0 282.432 1.016 10 0 CDAERP Cc1nccn1CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000290340306 369876016 /nfs/dbraw/zinc/87/60/16/369876016.db2.gz IBOQBSRVRFRIJD-HNNXBMFYSA-N 2 0 296.390 1.520 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1cn2ccc(C)cc2n1 ZINC000422718439 245175633 /nfs/dbraw/zinc/17/56/33/245175633.db2.gz PQZYNSJOKCJFBX-ZDUSSCGKSA-N 2 0 276.384 1.486 10 0 CDAERP CC[C@H](Cn1cncn1)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000340472681 371071182 /nfs/dbraw/zinc/07/11/82/371071182.db2.gz JUYKZRUXPHWPQA-CQSZACIVSA-N 2 0 277.416 1.521 10 0 CDAERP CC[NH+]1CCC(CC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000422784841 245254269 /nfs/dbraw/zinc/25/42/69/245254269.db2.gz MLNBWIHLOGAWRN-ZFWWWQNUSA-N 3 0 253.434 1.839 10 0 CDAERP CCC[N@H+](CC)CCN[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422819599 245296433 /nfs/dbraw/zinc/29/64/33/245296433.db2.gz INFRHBWZMRDGDA-GJZGRUSLSA-N 2 0 269.433 1.075 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652143625 412790277 /nfs/dbraw/zinc/79/02/77/412790277.db2.gz FVMXJUTXQWRCDQ-UHFFFAOYSA-N 2 0 296.459 1.679 10 0 CDAERP COC[C@H](C)C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000573407408 371532722 /nfs/dbraw/zinc/53/27/22/371532722.db2.gz MEHTYAAKOGBPRE-UKRRQHHQSA-N 2 0 254.418 1.933 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)N(C)CCC[NH+](C)C)cc1 ZINC000577832911 372134174 /nfs/dbraw/zinc/13/41/74/372134174.db2.gz SFMZJUSPYNQURW-CYBMUJFWSA-N 2 0 292.427 1.799 10 0 CDAERP CCCCOC[C@@H](O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352924971 372561205 /nfs/dbraw/zinc/56/12/05/372561205.db2.gz NOTIFBKDJDAQFF-QXULXFAOSA-N 2 0 284.444 1.721 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2C[NH+](C(C)C)C[C@@H]2C)C1 ZINC000176623371 372762235 /nfs/dbraw/zinc/76/22/35/372762235.db2.gz GVDSSQFDEPFNQK-SOUVJXGZSA-N 2 0 296.459 1.499 10 0 CDAERP Cc1ccccc1[C@H]([NH3+])C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000333230560 205136787 /nfs/dbraw/zinc/13/67/87/205136787.db2.gz BWYIDCCNCLLPLU-AWEZNQCLSA-N 2 0 273.380 1.349 10 0 CDAERP C[C@@H]1C[N@H+](C)C[C@@H]1NC1CC[NH+](CC2CC2)CC1 ZINC000341875857 373956830 /nfs/dbraw/zinc/95/68/30/373956830.db2.gz DINPUPORNGCWOM-DOMZBBRYSA-N 2 0 251.418 1.401 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@]2(C)CCC[NH2+]C2)CC[N@@H+]1C ZINC000418533344 374403574 /nfs/dbraw/zinc/40/35/74/374403574.db2.gz DKEQIVVODOGCJH-IJEWVQPXSA-N 2 0 296.459 1.500 10 0 CDAERP CCN(C)C(=O)CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000130155101 375265529 /nfs/dbraw/zinc/26/55/29/375265529.db2.gz MZWNGPNBQXPTQK-UHFFFAOYSA-N 2 0 281.444 1.663 10 0 CDAERP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CC1([NH3+])CCC1 ZINC000251554875 483052720 /nfs/dbraw/zinc/05/27/20/483052720.db2.gz BKIJSCFICNRZLF-STQMWFEESA-N 2 0 265.401 1.343 10 0 CDAERP CC[NH+](CC)CCCNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000416819220 375691837 /nfs/dbraw/zinc/69/18/37/375691837.db2.gz QVTNPBGEPNPNGI-MRXNPFEDSA-N 2 0 296.459 1.503 10 0 CDAERP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(C)no2)CC1 ZINC000631154447 375978498 /nfs/dbraw/zinc/97/84/98/375978498.db2.gz KZSUCOLCPZDWJS-UHFFFAOYSA-N 2 0 280.416 1.489 10 0 CDAERP CC(C)[NH+]1CCC([NH2+]CC[C@@H](O)C(F)F)CC1 ZINC000631695437 376472429 /nfs/dbraw/zinc/47/24/29/376472429.db2.gz KTEODQFCKAWOKX-LLVKDONJSA-N 2 0 250.333 1.465 10 0 CDAERP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ccc2oc(=O)n(C)c2c1 ZINC000631821719 376642565 /nfs/dbraw/zinc/64/25/65/376642565.db2.gz GZALUYAGONBWRP-ZDUSSCGKSA-N 2 0 291.395 1.937 10 0 CDAERP CS[C@H]1CC[C@@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000425388671 376993053 /nfs/dbraw/zinc/99/30/53/376993053.db2.gz WLURUCKAOBNENU-STQMWFEESA-N 2 0 271.474 1.496 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000247392784 377108119 /nfs/dbraw/zinc/10/81/19/377108119.db2.gz QJDKFQZUQPYLAW-CABCVRRESA-N 2 0 298.475 1.698 10 0 CDAERP Cc1ccccc1[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000334650523 377211253 /nfs/dbraw/zinc/21/12/53/377211253.db2.gz CGFASXUZBDYUHX-RYUDHWBXSA-N 2 0 283.322 1.108 10 0 CDAERP C[C@@H]1C[C@H](N(C)C[C@@H](O)C(F)(F)F)CC[N@@H+]1C ZINC000248396593 377255175 /nfs/dbraw/zinc/25/51/75/377255175.db2.gz QHDGTHIYRYLITQ-OPRDCNLKSA-N 2 0 254.296 1.324 10 0 CDAERP COCC[NH2+][C@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001662268263 1172519063 /nfs/dbraw/zinc/51/90/63/1172519063.db2.gz DXUHHJIINJMGJZ-CYBMUJFWSA-N 2 0 299.459 1.380 10 0 CDAERP COCC[C@H](COC)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000336796953 377723915 /nfs/dbraw/zinc/72/39/15/377723915.db2.gz XMPPXWXWTSBTPO-MJBXVCDLSA-N 2 0 256.390 1.254 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH+](C)C(C)C)CC[N@@H+]1C ZINC000633129748 378135169 /nfs/dbraw/zinc/13/51/69/378135169.db2.gz QXYGVEDWASGSJT-MELADBBJSA-N 2 0 269.433 1.562 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)CC[C@@H](C)[NH3+])CC1 ZINC000193314866 378273260 /nfs/dbraw/zinc/27/32/60/378273260.db2.gz IDQVHSJKDIMODK-GFCCVEGCSA-N 2 0 255.406 1.352 10 0 CDAERP CCOC1CC(CC[NH2+][C@@H]2CCN(CCOC)C2)C1 ZINC000353236044 378820824 /nfs/dbraw/zinc/82/08/24/378820824.db2.gz KRDAVOSNHOMKOZ-SHARSMKWSA-N 2 0 270.417 1.502 10 0 CDAERP CC(C)[NH2+][C@@H](C)CNC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001662356677 1172535269 /nfs/dbraw/zinc/53/52/69/1172535269.db2.gz OMMXPZHBGLCLAI-QWRGUYRKSA-N 2 0 252.362 1.091 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@H](C)[C@@H]1CO ZINC000443859119 250058418 /nfs/dbraw/zinc/05/84/18/250058418.db2.gz WTBKDGLPYLYMMT-WBMJQRKESA-N 2 0 286.379 1.778 10 0 CDAERP CCc1nocc1C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000657574060 412906242 /nfs/dbraw/zinc/90/62/42/412906242.db2.gz XXARYEOISWQKQB-ZDUSSCGKSA-N 2 0 282.432 1.599 10 0 CDAERP CC(C)n1ccc(C[C@H](C)[NH2+]CCOCC[NH+](C)C)n1 ZINC000447591793 250391797 /nfs/dbraw/zinc/39/17/97/250391797.db2.gz JAVXWDNODSIRDK-AWEZNQCLSA-N 2 0 282.432 1.563 10 0 CDAERP C[NH+](C)CCOCC[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000447594064 250391998 /nfs/dbraw/zinc/39/19/98/250391998.db2.gz WTGPPVXTJSYLQL-HRCADAONSA-N 2 0 284.444 1.750 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2CCCC[NH2+]2)CC[N@@H+]1C ZINC000634260374 379260173 /nfs/dbraw/zinc/26/01/73/379260173.db2.gz RLCWOTYMNBLASP-MCIONIFRSA-N 2 0 282.432 1.253 10 0 CDAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]CC3CC3)cc2)C1 ZINC000657595651 412924471 /nfs/dbraw/zinc/92/44/71/412924471.db2.gz RLVXVNLOTHZMGV-INIZCTEOSA-N 2 0 260.381 1.753 10 0 CDAERP c1n[nH]cc1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000657611699 412936857 /nfs/dbraw/zinc/93/68/57/412936857.db2.gz DCXZKMWYJWBHLO-UHFFFAOYSA-N 2 0 285.395 1.807 10 0 CDAERP CC(C)[NH2+][C@H]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001662777924 1172592971 /nfs/dbraw/zinc/59/29/71/1172592971.db2.gz AOIPFEREUXLXLP-QWHCGFSZSA-N 2 0 255.406 1.364 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@H]([NH3+])c2ccccc2)C1 ZINC000655962404 412965362 /nfs/dbraw/zinc/96/53/62/412965362.db2.gz BASWDQQJUFFFGO-CFVMTHIKSA-N 2 0 290.411 1.326 10 0 CDAERP CCC[NH2+][C@@](C)(CO)CCC[NH+]1CCC(OC)CC1 ZINC000085240026 184608298 /nfs/dbraw/zinc/60/82/98/184608298.db2.gz XWBKHRNQVHITAS-OAHLLOKOSA-N 2 0 272.433 1.628 10 0 CDAERP C[C@@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]CC1CCC1 ZINC001663009432 1172626919 /nfs/dbraw/zinc/62/69/19/1172626919.db2.gz UJTJGABZWBYPHI-ZDUSSCGKSA-N 2 0 267.417 1.367 10 0 CDAERP CC(C)[NH2+]CCCNC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662410739 412981099 /nfs/dbraw/zinc/98/10/99/412981099.db2.gz MQLJEOBMRHIJBG-OAHLLOKOSA-N 2 0 275.396 1.725 10 0 CDAERP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662419416 412993819 /nfs/dbraw/zinc/99/38/19/412993819.db2.gz HSFHRWWTSPQHAP-NWDGAFQWSA-N 2 0 265.401 1.247 10 0 CDAERP NC(=[NH2+])c1cccc(N2CC[C@H]([NH+]3CCCCC3)C2)n1 ZINC000081621324 177832681 /nfs/dbraw/zinc/83/26/81/177832681.db2.gz BSWFZMFUVKAVPT-LBPRGKRZSA-N 2 0 273.384 1.430 10 0 CDAERP C[C@@H](NC(=O)NC1CC[NH+](C2CC2)CC1)c1nccn1C ZINC000660277459 413033974 /nfs/dbraw/zinc/03/39/74/413033974.db2.gz HEYSANWAWVUPHW-LLVKDONJSA-N 2 0 291.399 1.407 10 0 CDAERP CC[C@@H](C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1)[NH+](CC)CC ZINC000684174922 483229554 /nfs/dbraw/zinc/22/95/54/483229554.db2.gz NYTJEEXSYQGNFO-GOEBONIOSA-N 2 0 299.459 1.022 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000646986413 390333806 /nfs/dbraw/zinc/33/38/06/390333806.db2.gz AYGQKDKYNAJLKO-KBPBESRZSA-N 2 0 267.417 1.509 10 0 CDAERP CC1([NH3+])CCN(C(=O)c2cc(-n3ccnc3)ccn2)CC1 ZINC000646993108 390339974 /nfs/dbraw/zinc/33/99/74/390339974.db2.gz HYNDSTDSXGMAPJ-UHFFFAOYSA-N 2 0 285.351 1.221 10 0 CDAERP c1nc2c(n1Cc1nc([C@H]3CCC[NH2+]3)no1)CCCC2 ZINC000647145663 390561354 /nfs/dbraw/zinc/56/13/54/390561354.db2.gz BIHADWAXUYYQMP-LLVKDONJSA-N 2 0 273.340 1.618 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC000357240949 285384963 /nfs/dbraw/zinc/38/49/63/285384963.db2.gz SNDFNTSYGPUIDL-KGLIPLIRSA-N 2 0 269.433 1.515 10 0 CDAERP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)CC1(C[NH3+])CC1 ZINC000648199257 390949758 /nfs/dbraw/zinc/94/97/58/390949758.db2.gz OKZPHMDOPTYRPX-AWEZNQCLSA-N 2 0 273.380 1.200 10 0 CDAERP [NH3+]C1CCC(OCC(=O)N[C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000648210490 390953003 /nfs/dbraw/zinc/95/30/03/390953003.db2.gz SVEBPOAEDCANGU-RUXDESIVSA-N 2 0 295.427 1.064 10 0 CDAERP O=C(N[C@@H]1CC[NH2+]C12CCCC2)c1ccc2c[nH+]cn2c1 ZINC000648211647 390953710 /nfs/dbraw/zinc/95/37/10/390953710.db2.gz XEXKIWORFWKCRA-CQSZACIVSA-N 2 0 284.363 1.739 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N2CC[NH2+][C@H](C)[C@@H]2C)CC1 ZINC000417746958 391012991 /nfs/dbraw/zinc/01/29/91/391012991.db2.gz IAPOBVGQSSLDFB-KGLIPLIRSA-N 2 0 296.459 1.500 10 0 CDAERP CC[C@@H]([NH3+])CNC(=O)NCCC1CC[NH+](CC)CC1 ZINC000417751317 391025733 /nfs/dbraw/zinc/02/57/33/391025733.db2.gz PBBFGKVNLPOOMN-CYBMUJFWSA-N 2 0 270.421 1.145 10 0 CDAERP CCc1cccc(F)c1C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000415137141 391041705 /nfs/dbraw/zinc/04/17/05/391041705.db2.gz FBWLHYROJWTEOF-UHFFFAOYSA-N 2 0 266.360 1.674 10 0 CDAERP CC(C)NC(=O)CC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000374418984 391161864 /nfs/dbraw/zinc/16/18/64/391161864.db2.gz FYKCARNGXFMBFO-QLFBSQMISA-N 2 0 297.443 1.085 10 0 CDAERP O=C([C@H]1CCCC[NH2+]1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000648104129 391335844 /nfs/dbraw/zinc/33/58/44/391335844.db2.gz NJWHIEOLLUISLW-MGPQQGTHSA-N 2 0 265.401 1.119 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC000175770469 391342170 /nfs/dbraw/zinc/34/21/70/391342170.db2.gz IBPWGUQMIZIPCM-GJZGRUSLSA-N 2 0 296.459 1.596 10 0 CDAERP CC(C)C[C@@H]([NH3+])CN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000414692711 391344620 /nfs/dbraw/zinc/34/46/20/391344620.db2.gz KWRIXEDZOHOGPK-SJORKVTESA-N 2 0 296.503 1.462 10 0 CDAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000418031409 391346503 /nfs/dbraw/zinc/34/65/03/391346503.db2.gz TUUIOGYCDIUXNY-KBPBESRZSA-N 2 0 296.459 1.406 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000418679935 391528564 /nfs/dbraw/zinc/52/85/64/391528564.db2.gz ABSUHVWEMGYAEJ-RYUDHWBXSA-N 2 0 298.456 1.557 10 0 CDAERP Cn1cc2c(n1)CCC[C@H]2[NH2+]CCCC[NH+](C)C ZINC000358738601 391560588 /nfs/dbraw/zinc/56/05/88/391560588.db2.gz ARJNTBKYBABBID-CYBMUJFWSA-N 2 0 250.390 1.729 10 0 CDAERP Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647794366 391638995 /nfs/dbraw/zinc/63/89/95/391638995.db2.gz YPJXWNHBYYFFRY-OWCLPIDISA-N 2 0 290.455 1.947 10 0 CDAERP Cn1c(C[NH+]2CCC3(CC[NH2+]C3)CC2)nnc1C1CCC1 ZINC000519770103 391707609 /nfs/dbraw/zinc/70/76/09/391707609.db2.gz IFPIDYXEIKLAAR-UHFFFAOYSA-N 2 0 289.427 1.658 10 0 CDAERP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1 ZINC000415017350 391724859 /nfs/dbraw/zinc/72/48/59/391724859.db2.gz PTYCEJQXOCKGSA-TUAOUCFPSA-N 2 0 279.384 1.738 10 0 CDAERP CC[C@@H](C)C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415058620 391738785 /nfs/dbraw/zinc/73/87/85/391738785.db2.gz UFXSAAFATQOLGQ-WLYUNCDWSA-N 2 0 253.434 1.839 10 0 CDAERP C[C@H](CNC(=O)[C@H](C[NH3+])c1ccc(F)cc1)[NH+]1CCCC1 ZINC000515840635 391797211 /nfs/dbraw/zinc/79/72/11/391797211.db2.gz UZVOUSXAONORHX-IUODEOHRSA-N 2 0 293.386 1.469 10 0 CDAERP CC(C)[C@@H](C(=O)N1CCC[C@]2(CC[NH2+]C2)C1)[NH+](C)C ZINC000334992568 391993265 /nfs/dbraw/zinc/99/32/65/391993265.db2.gz FYIOTUNCKOJERT-DZGCQCFKSA-N 2 0 267.417 1.175 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000334918872 391976623 /nfs/dbraw/zinc/97/66/23/391976623.db2.gz PTAFYOYBLYUELA-CABCVRRESA-N 2 0 294.443 1.112 10 0 CDAERP CC(C)SCC[NH+]1CCN(Cc2nccn2C)CC1 ZINC000336807268 392093211 /nfs/dbraw/zinc/09/32/11/392093211.db2.gz HZGWMUJDIBFHIJ-UHFFFAOYSA-N 2 0 282.457 1.679 10 0 CDAERP CC(C)(C)[C@H](O)C[C@H](CO)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000342822299 392047651 /nfs/dbraw/zinc/04/76/51/392047651.db2.gz FXQNBNZIJZISRQ-APIJFGDWSA-N 2 0 284.444 1.361 10 0 CDAERP CCCCOC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000195181300 392055357 /nfs/dbraw/zinc/05/53/57/392055357.db2.gz OGKKQWFGABQHNC-CABCVRRESA-N 2 0 272.433 1.438 10 0 CDAERP [NH3+]C1CCC(OCC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000567972654 392314735 /nfs/dbraw/zinc/31/47/35/392314735.db2.gz DULKUJLQDYAUGK-CVSAEHQPSA-N 2 0 295.427 1.016 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1[C@H](C)[C@H](OC)C1(C)C ZINC000423019784 392277722 /nfs/dbraw/zinc/27/77/22/392277722.db2.gz XEJQUVRUMABEMV-RVMXOQNASA-N 2 0 258.406 1.389 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@H](CO)Cc1ccccc1C ZINC000423053877 392303008 /nfs/dbraw/zinc/30/30/08/392303008.db2.gz BENOFSWTVQQNKR-CVEARBPZSA-N 2 0 280.412 1.242 10 0 CDAERP CC[NH+](CC)[C@H](C)CN[C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000423084959 392331051 /nfs/dbraw/zinc/33/10/51/392331051.db2.gz JEWMUTVDIFDIIA-MGPQQGTHSA-N 2 0 257.422 1.073 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1N(C)CCCC1(C)C ZINC000423090899 392335192 /nfs/dbraw/zinc/33/51/92/392335192.db2.gz YUAVWHAHOIHXHX-KBPBESRZSA-N 2 0 271.449 1.450 10 0 CDAERP COC[C@](C)(O)CC[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423148168 392386860 /nfs/dbraw/zinc/38/68/60/392386860.db2.gz URLZFNSMFWVQJY-QLFBSQMISA-N 2 0 272.433 1.674 10 0 CDAERP Cc1cc(C[NH2+][C@H](C2CC2)[C@H]2CNCCO2)ccn1 ZINC000423153477 392391343 /nfs/dbraw/zinc/39/13/43/392391343.db2.gz GROOSGHUJWQZFS-HUUCEWRRSA-N 2 0 261.369 1.247 10 0 CDAERP COCC1CCC([NH2+][C@H](C2CC2)[C@H]2CNCCO2)CC1 ZINC000423189950 392430594 /nfs/dbraw/zinc/43/05/94/392430594.db2.gz ROEYCJGMFMYWGY-AHNOJICISA-N 2 0 282.428 1.548 10 0 CDAERP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[C@H]1O ZINC000423166977 392407001 /nfs/dbraw/zinc/40/70/01/392407001.db2.gz ROWSYJSNYMTBFT-SYAUCNOPSA-N 2 0 262.397 1.696 10 0 CDAERP C(CC[NH+]1CCOCC1)C[NH2+]CC[C@@H]1CCOC1 ZINC000438078255 392522583 /nfs/dbraw/zinc/52/25/83/392522583.db2.gz KRMLHRAHUGWVBQ-CQSZACIVSA-N 2 0 256.390 1.115 10 0 CDAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000645889676 392473540 /nfs/dbraw/zinc/47/35/40/392473540.db2.gz WSHVFIRGQMRZKS-HIFRSBDPSA-N 2 0 283.335 1.205 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+][C@H]2CCCSCC2)CC1 ZINC000657836129 413054243 /nfs/dbraw/zinc/05/42/43/413054243.db2.gz YQKBBKDBPRBFAH-HNNXBMFYSA-N 2 0 285.501 1.889 10 0 CDAERP C[C@@H](NC(=O)N[C@@H](C)C[NH+]1CCC(C)CC1)[C@H](C)[NH3+] ZINC000521070828 392927173 /nfs/dbraw/zinc/92/71/73/392927173.db2.gz LZGQLSNYCWWMLO-RWMBFGLXSA-N 2 0 270.421 1.142 10 0 CDAERP C[C@@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)[NH+](C)C ZINC000494249167 392960915 /nfs/dbraw/zinc/96/09/15/392960915.db2.gz YHHDEGGTGGHQTI-ZDUSSCGKSA-N 2 0 269.433 1.565 10 0 CDAERP CC[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1cccc(OC)c1 ZINC000521607040 393024817 /nfs/dbraw/zinc/02/48/17/393024817.db2.gz BBVLWUNLICYNTB-HNNXBMFYSA-N 2 0 291.395 1.168 10 0 CDAERP C[C@H]1C[C@@H]([N@H+](C)CCOCC(F)F)CCN1C ZINC000189503945 393079718 /nfs/dbraw/zinc/07/97/18/393079718.db2.gz RHPDQXOXWIHELL-QWRGUYRKSA-N 2 0 250.333 1.683 10 0 CDAERP C[C@@H]1CCCCN1CC[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000494885949 393122849 /nfs/dbraw/zinc/12/28/49/393122849.db2.gz LASKGPJKCOPALY-CHWSQXEVSA-N 2 0 267.417 1.508 10 0 CDAERP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1C ZINC000648780044 393333921 /nfs/dbraw/zinc/33/39/21/393333921.db2.gz QUYOZOHGRURJHP-MRVWCRGKSA-N 2 0 265.401 1.022 10 0 CDAERP C[C@H](C(=O)N1CCC[C@@H]1C[NH+](C)C)[C@@H]([NH3+])c1ccccc1 ZINC000130409283 139825747 /nfs/dbraw/zinc/82/57/47/139825747.db2.gz FHVAUIRLBLETDF-NUEKZKHPSA-N 2 0 289.423 1.875 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)C2(C[NH3+])CCOCC2)CC1 ZINC000165989511 139927695 /nfs/dbraw/zinc/92/76/95/139927695.db2.gz DJRVGBINEIAVSN-UHFFFAOYSA-N 2 0 297.443 1.123 10 0 CDAERP CCOC(=O)CCCC[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193601499 140147133 /nfs/dbraw/zinc/14/71/33/140147133.db2.gz RFFYIIKWYIVOFF-BETUJISGSA-N 2 0 254.374 1.213 10 0 CDAERP Cc1cnn(CCCCC[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1 ZINC000193599329 140147276 /nfs/dbraw/zinc/14/72/76/140147276.db2.gz FJLGDNKJEURHBT-IYBDPMFKSA-N 2 0 276.428 1.855 10 0 CDAERP CC1(C)C[N@H+](Cc2ccc(C(N)=O)cc2)CC[C@@H]1[NH3+] ZINC000261565362 140349737 /nfs/dbraw/zinc/34/97/37/140349737.db2.gz FJTSLZZIQOJFDQ-ZDUSSCGKSA-N 2 0 261.369 1.345 10 0 CDAERP CC1(C)CN(CC(=O)N2CCc3ccccc32)CC[C@H]1[NH3+] ZINC000261804564 140391151 /nfs/dbraw/zinc/39/11/51/140391151.db2.gz ZDMVUBHEVGZJNT-OAHLLOKOSA-N 2 0 287.407 1.635 10 0 CDAERP CN(C)C(=O)CC1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261876309 140402460 /nfs/dbraw/zinc/40/24/60/140402460.db2.gz PZPNIBJCJSVUOT-OAHLLOKOSA-N 2 0 267.417 1.176 10 0 CDAERP C[C@H](CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[NH+](C)C ZINC000664233274 413162432 /nfs/dbraw/zinc/16/24/32/413162432.db2.gz IOTXLTCZNIUKTD-FFHGMXDLSA-N 2 0 296.459 1.641 10 0 CDAERP C[C@H]([NH3+])CCC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662595215 413167576 /nfs/dbraw/zinc/16/75/76/413167576.db2.gz YNUACDPCODWAAU-NWDGAFQWSA-N 2 0 255.406 1.350 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)NCCC[NH+]1CCCC1 ZINC000419857278 397652627 /nfs/dbraw/zinc/65/26/27/397652627.db2.gz ZUGOPNREXMXKQV-OAHLLOKOSA-N 2 0 281.444 1.853 10 0 CDAERP CN(Cc1ccccc1)C[C@@H](O)C[N@H+](C)CC(C)(C)CO ZINC000649803965 397966317 /nfs/dbraw/zinc/96/63/17/397966317.db2.gz FOXYBWRIPVSSBM-MRXNPFEDSA-N 2 0 294.439 1.430 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)C[C@H]([NH3+])c2ccccc2)C1 ZINC000040673682 397895284 /nfs/dbraw/zinc/89/52/84/397895284.db2.gz BYGLAPVIEOKDBF-KGLIPLIRSA-N 2 0 261.369 1.287 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000091545131 146983571 /nfs/dbraw/zinc/98/35/71/146983571.db2.gz MDGTXYFDGCWWAR-RYUDHWBXSA-N 2 0 253.390 1.104 10 0 CDAERP C[C@@H](NC(=O)c1ccc(C[NH3+])cc1)C(C)(C)C[NH+](C)C ZINC000178817903 148092286 /nfs/dbraw/zinc/09/22/86/148092286.db2.gz NISRDUWWUDZCBT-GFCCVEGCSA-N 2 0 277.412 1.851 10 0 CDAERP CCOCCC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000353332513 286057401 /nfs/dbraw/zinc/05/74/01/286057401.db2.gz VPEHHFMZGYANGU-SJPCQFCGSA-N 2 0 295.471 1.656 10 0 CDAERP CC[C@H]1CN(C[C@@]2(C)CC[NH2+]C2)CC[N@@H+]1CCOC ZINC000262012265 149000020 /nfs/dbraw/zinc/00/00/20/149000020.db2.gz MHZWCTBLGRCSIR-GJZGRUSLSA-N 2 0 269.433 1.029 10 0 CDAERP CCOC(=O)[C@]1(C(C)C)CC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262013639 149000389 /nfs/dbraw/zinc/00/03/89/149000389.db2.gz MMTCTEDJWIJCCA-HZPDHXFCSA-N 2 0 282.428 1.897 10 0 CDAERP [NH3+]C[C@@H]1CCN(Cc2ccnn2-c2ccccc2)C1 ZINC000262024970 149004350 /nfs/dbraw/zinc/00/43/50/149004350.db2.gz WMXHZRUXSWLDNM-ZDUSSCGKSA-N 2 0 256.353 1.653 10 0 CDAERP CC[N@@H+]1CC[C@H](CNCc2cn(C(C)C)nn2)C1 ZINC000310845083 149203270 /nfs/dbraw/zinc/20/32/70/149203270.db2.gz BZYRVBGOPGAOJA-GFCCVEGCSA-N 2 0 251.378 1.290 10 0 CDAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCSC3)cc2)C1 ZINC000658145624 413236927 /nfs/dbraw/zinc/23/69/27/413236927.db2.gz RVGSZXJCFKASGT-HOTGVXAUSA-N 2 0 292.448 1.848 10 0 CDAERP FC1(F)C[C@@H]1OCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000658168201 413261581 /nfs/dbraw/zinc/26/15/81/413261581.db2.gz HSHRNEXMWNZNCE-ZDUSSCGKSA-N 2 0 274.355 1.875 10 0 CDAERP C[C@H]1C[C@@H](NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC[N@@H+]1C ZINC000654458354 413309740 /nfs/dbraw/zinc/30/97/40/413309740.db2.gz GIUFJERQDHMFRQ-XDQVBPFNSA-N 2 0 282.432 1.109 10 0 CDAERP CCC[NH+]1CCC([NH2+][C@@H]2C[C@H](O)C23CCC3)CC1 ZINC000658251424 413313158 /nfs/dbraw/zinc/31/31/58/413313158.db2.gz HDDNLYLCRQKAAT-KGLIPLIRSA-N 2 0 252.402 1.754 10 0 CDAERP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@@H]3CCC(=O)N3)CC2)C1 ZINC000658259282 413320477 /nfs/dbraw/zinc/32/04/77/413320477.db2.gz KAXDJYCPWNUTQY-BPUTZDHNSA-N 2 0 293.455 1.898 10 0 CDAERP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000356105915 157355844 /nfs/dbraw/zinc/35/58/44/157355844.db2.gz ZIUKFQOVKGZODV-GXTWGEPZSA-N 2 0 281.444 1.848 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CC2(O)CCC(F)(F)CC2)CC[N@@H+]1C ZINC000658323796 413371588 /nfs/dbraw/zinc/37/15/88/413371588.db2.gz WHBMXQYKMUWXDY-NEPJUHHUSA-N 2 0 276.371 1.999 10 0 CDAERP CN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000362783106 159238572 /nfs/dbraw/zinc/23/85/72/159238572.db2.gz SUIHPAQZKFJJEZ-HNNXBMFYSA-N 2 0 279.428 1.413 10 0 CDAERP C[C@H]1C[C@@H](NC(=O)C2([NH2+]C3CC3)CCC2)CC[N@@H+]1C ZINC000662732205 413401561 /nfs/dbraw/zinc/40/15/61/413401561.db2.gz ORFSQYRDIKBSTP-AAEUAGOBSA-N 2 0 265.401 1.260 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)C[NH+]1CCCC1 ZINC000235151619 286874106 /nfs/dbraw/zinc/87/41/06/286874106.db2.gz WMJDUXHPHUFEQR-IHRRRGAJSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000662747744 413427730 /nfs/dbraw/zinc/42/77/30/413427730.db2.gz AFFQLPBCZBOWRF-CHWSQXEVSA-N 2 0 271.380 1.005 10 0 CDAERP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)C1CCSCC1 ZINC000187049977 287036730 /nfs/dbraw/zinc/03/67/30/287036730.db2.gz FLHPKFUVEAQUQC-HIFRSBDPSA-N 2 0 286.485 1.955 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001665484673 1173002941 /nfs/dbraw/zinc/00/29/41/1173002941.db2.gz XGSWLJFYZRPYKJ-YVACAVLKSA-N 2 0 281.444 1.875 10 0 CDAERP C[NH+]1CCN([C@@H](CC[NH3+])COc2ccccc2)CC1 ZINC000019663390 170833783 /nfs/dbraw/zinc/83/37/83/170833783.db2.gz OEIPWMUYRNKSRB-AWEZNQCLSA-N 2 0 263.385 1.030 10 0 CDAERP CC(C)[NH+](CCN[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC000020440316 171204000 /nfs/dbraw/zinc/20/40/00/171204000.db2.gz IELVNYSKXZDPMF-OAHLLOKOSA-N 2 0 253.434 1.789 10 0 CDAERP C[NH+]1CCN([C@H](C[NH3+])c2ccccc2C(F)(F)F)CC1 ZINC000022176300 171370591 /nfs/dbraw/zinc/37/05/91/171370591.db2.gz LSDPKYBNTHJDHM-CYBMUJFWSA-N 2 0 287.329 1.953 10 0 CDAERP C[C@@H](C(=O)Nc1ccccc1C[NH3+])[NH+]1CCCCC1 ZINC000022221472 171378371 /nfs/dbraw/zinc/37/83/71/171378371.db2.gz KECYVQYEHSXPHQ-LBPRGKRZSA-N 2 0 261.369 1.958 10 0 CDAERP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCCCC[C@H]1[NH3+])C2 ZINC000653197777 412131018 /nfs/dbraw/zinc/13/10/18/412131018.db2.gz SJJCIXTTWNPJPM-HWMZRRJGSA-N 2 0 293.455 1.872 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000653215230 412143285 /nfs/dbraw/zinc/14/32/85/412143285.db2.gz PXJSQKGNQMNTII-AWEZNQCLSA-N 2 0 261.369 1.150 10 0 CDAERP CC(C)[N@H+](C)C[C@@H](O)C[NH2+]C[C@@]1(C)CC1(F)F ZINC000656710287 413586539 /nfs/dbraw/zinc/58/65/39/413586539.db2.gz HXXSDUVYRDVKGB-WDEREUQCSA-N 2 0 250.333 1.322 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N(C)CC2C[NH+](C)C2)C1 ZINC000660889693 413623681 /nfs/dbraw/zinc/62/36/81/413623681.db2.gz LUJUJDMINIXSHY-AWEZNQCLSA-N 2 0 296.459 1.167 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659451074 413835922 /nfs/dbraw/zinc/83/59/22/413835922.db2.gz AGBJZLVCJWJPEP-NOZYUVCASA-N 2 0 294.443 1.382 10 0 CDAERP C[NH2+]CCCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659505903 413899934 /nfs/dbraw/zinc/89/99/34/413899934.db2.gz TXQWBJPBLDVDEN-HUUCEWRRSA-N 2 0 290.411 1.041 10 0 CDAERP CCC[N@@H+]1CC[C@@H](NC(=O)NCC[C@@H]([NH3+])C(C)C)C1 ZINC000659611552 414016854 /nfs/dbraw/zinc/01/68/54/414016854.db2.gz RQJHVOUZDWNESP-CHWSQXEVSA-N 2 0 270.421 1.143 10 0 CDAERP C[C@@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]C[C@@H](C)c1ccccn1 ZINC000665232061 413958493 /nfs/dbraw/zinc/95/84/93/413958493.db2.gz FDNCHUYCNVNMQO-RGCMKSIDSA-N 2 0 263.385 1.527 10 0 CDAERP CO[C@H](C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+])[C@H]1CCOC1 ZINC000665235119 413962240 /nfs/dbraw/zinc/96/22/40/413962240.db2.gz QBRKHEBOARVGMS-XLNGHYISSA-N 2 0 292.423 1.586 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1Cc2ccccc2N(C)C1=O ZINC000665237057 413969340 /nfs/dbraw/zinc/96/93/40/413969340.db2.gz ZFWCIJPBVJWWEG-GXTWGEPZSA-N 2 0 275.396 1.681 10 0 CDAERP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]C[C@H]1CCC[C@@H](C)O1 ZINC000665265507 413994279 /nfs/dbraw/zinc/99/42/79/413994279.db2.gz WYGRWTSZISCROK-XVIXHAIJSA-N 2 0 256.390 1.286 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1COc2cc(F)ccc2C1 ZINC000665267515 414001833 /nfs/dbraw/zinc/00/18/33/414001833.db2.gz YGIAZJXWMFXISD-KBPBESRZSA-N 2 0 282.359 1.473 10 0 CDAERP C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)[C@@H]1C[C@H]1c1ccccc1 ZINC000665292859 414035162 /nfs/dbraw/zinc/03/51/62/414035162.db2.gz KVSHFJYLOSJXGN-UGFHNGPFSA-N 2 0 298.390 1.923 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC1CCC1 ZINC001665765958 1173055415 /nfs/dbraw/zinc/05/54/15/1173055415.db2.gz QVNZISLEIGBPPN-KBPBESRZSA-N 2 0 267.417 1.365 10 0 CDAERP Cc1ccc(C[NH2+]CCN2CC[NH+](C)CC2)s1 ZINC000037496812 173236076 /nfs/dbraw/zinc/23/60/76/173236076.db2.gz JUDRDKOQKYDWFI-UHFFFAOYSA-N 2 0 253.415 1.394 10 0 CDAERP CC[C@@H]1C[N@H+](CC)CCN1C(=O)N[C@H]1CCC[NH+](C)C1 ZINC000655132159 414084022 /nfs/dbraw/zinc/08/40/22/414084022.db2.gz ATCBSFPIKBVUDU-UONOGXRCSA-N 2 0 282.432 1.206 10 0 CDAERP CN(CC1C[NH+](C)C1)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000661516184 414147507 /nfs/dbraw/zinc/14/75/07/414147507.db2.gz YPLRFTYBCYRHLO-ZDUSSCGKSA-N 2 0 282.432 1.062 10 0 CDAERP c1cc(C[NH2+]CCCn2cncn2)n(-c2cc[nH+]cc2)n1 ZINC000657300714 414149195 /nfs/dbraw/zinc/14/91/95/414149195.db2.gz LBSKOGQBBBMLFZ-UHFFFAOYSA-N 2 0 283.339 1.039 10 0 CDAERP C[C@@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655802955 414194457 /nfs/dbraw/zinc/19/44/57/414194457.db2.gz JIKJFFAQXKRING-JONQDZQNSA-N 2 0 297.487 1.804 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000655802416 414195740 /nfs/dbraw/zinc/19/57/40/414195740.db2.gz AZWYIVTUXBUNID-HYVNUMGLSA-N 2 0 295.471 1.560 10 0 CDAERP CCC(=O)N1CCC([NH2+]CC[C@@H]([NH3+])C(C)C)CC1 ZINC000663500057 414296957 /nfs/dbraw/zinc/29/69/57/414296957.db2.gz MVGWPFJVDNOQOW-CYBMUJFWSA-N 2 0 255.406 1.350 10 0 CDAERP COc1cc(C[NH2+]CC[C@@H]([NH3+])C(C)C)cc(OC)c1O ZINC000663503305 414306362 /nfs/dbraw/zinc/30/63/62/414306362.db2.gz NUDNJPXURHJVLR-GFCCVEGCSA-N 2 0 282.384 1.872 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]2C)CC1 ZINC000663506550 414308873 /nfs/dbraw/zinc/30/88/73/414308873.db2.gz UWAZHMFOXRNFTQ-DZGCQCFKSA-N 2 0 281.444 1.755 10 0 CDAERP c1cc(C[NH2+]CC2=CCOCC2)n(-c2cc[nH+]cc2)n1 ZINC000657480267 414379642 /nfs/dbraw/zinc/37/96/42/414379642.db2.gz LRRBCAHWQXAAPO-UHFFFAOYSA-N 2 0 270.336 1.704 10 0 CDAERP c1cc(C[NH2+]CC[C@@H]2CCOC2)n(-c2cc[nH+]cc2)n1 ZINC000657433715 414320034 /nfs/dbraw/zinc/32/00/34/414320034.db2.gz ZTBFFTUWHCATRJ-CYBMUJFWSA-N 2 0 272.352 1.784 10 0 CDAERP C[NH+](C)C1CC(NCc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657500758 414400629 /nfs/dbraw/zinc/40/06/29/414400629.db2.gz RUVFWSAAWZPKFH-UHFFFAOYSA-N 2 0 271.368 1.450 10 0 CDAERP C[N@H+](C[C@H](O)COc1ccc(C[NH3+])cc1)CC1CC1 ZINC000037925095 173864533 /nfs/dbraw/zinc/86/45/33/173864533.db2.gz NTAPQDHRGZEOFJ-AWEZNQCLSA-N 2 0 264.369 1.227 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCN1CCc2c(cccc2C(N)=O)C1 ZINC000662298580 414624153 /nfs/dbraw/zinc/62/41/53/414624153.db2.gz OGVIMRPPURLKQE-AWEZNQCLSA-N 2 0 287.407 1.628 10 0 CDAERP c1ccc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000038086744 174097962 /nfs/dbraw/zinc/09/79/62/174097962.db2.gz AAUPZYSWNMBCIF-INIZCTEOSA-N 2 0 259.397 1.556 10 0 CDAERP CCC[C@](C)([NH3+])C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000038101772 174117676 /nfs/dbraw/zinc/11/76/76/174117676.db2.gz GMHYTWNZDWVLDX-HNNXBMFYSA-N 2 0 267.417 1.591 10 0 CDAERP CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000040624586 174356580 /nfs/dbraw/zinc/35/65/80/174356580.db2.gz FZEUIJTVWHENTI-STQMWFEESA-N 2 0 255.406 1.350 10 0 CDAERP [NH3+]CC1(N2CCC([NH+]3CCCCC3)CC2)CCOCC1 ZINC000040693727 174377942 /nfs/dbraw/zinc/37/79/42/174377942.db2.gz NLNURTCVIMEZKI-UHFFFAOYSA-N 2 0 281.444 1.445 10 0 CDAERP CCCC[C@@H]([NH3+])C(=O)NCC[NH+]1CCCCCC1 ZINC000040768318 174398711 /nfs/dbraw/zinc/39/87/11/174398711.db2.gz HAYGNLGAKPPJPO-CYBMUJFWSA-N 2 0 255.406 1.496 10 0 CDAERP C[C@H]([NH3+])[C@@H](c1ccco1)N1CCC([NH+](C)C)CC1 ZINC000043335160 175010978 /nfs/dbraw/zinc/01/09/78/175010978.db2.gz ANXAODBYLLHDJR-FZMZJTMJSA-N 2 0 251.374 1.694 10 0 CDAERP CC[NH+](CC)CCOc1nc2c(cc1C(N)=[NH2+])CCC2 ZINC000043407147 175037120 /nfs/dbraw/zinc/03/71/20/175037120.db2.gz NNMOIBYPIUQFGI-UHFFFAOYSA-N 2 0 276.384 1.575 10 0 CDAERP CCC(C)(C)NC(=O)[C@H](C)[N@H+](CCC[NH3+])CC(C)C ZINC000043417388 175038083 /nfs/dbraw/zinc/03/80/83/175038083.db2.gz DSOGGVXNTSXSLW-ZDUSSCGKSA-N 2 0 271.449 1.987 10 0 CDAERP NC(=O)CC1CC[NH+](CC[C@H]2CCCC[NH2+]2)CC1 ZINC000043498732 175058162 /nfs/dbraw/zinc/05/81/62/175058162.db2.gz KGDZMTARASXOOE-CYBMUJFWSA-N 2 0 253.390 1.106 10 0 CDAERP CCOC(=O)[C@@H](C)C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000043613379 175079504 /nfs/dbraw/zinc/07/95/04/175079504.db2.gz QGSPDLRFNMYKBE-NWDGAFQWSA-N 2 0 254.374 1.260 10 0 CDAERP CC[NH+]1CCN(C[C@H]([NH2+]C)c2ccc3c(c2)OCO3)CC1 ZINC000043805797 175107480 /nfs/dbraw/zinc/10/74/80/175107480.db2.gz BKZRBGAOACMUAL-AWEZNQCLSA-N 2 0 291.395 1.313 10 0 CDAERP CCC[NH+]1CCN([C@@H]2CCCC[C@H]2[NH2+]CC)CC1 ZINC000043805557 175107712 /nfs/dbraw/zinc/10/77/12/175107712.db2.gz KDPRVHULTIJVKL-HUUCEWRRSA-N 2 0 253.434 1.935 10 0 CDAERP C[NH2+][C@H](CN1CCC[N@H+](C)CC1)c1ccc2c(c1)OCO2 ZINC000043818128 175113149 /nfs/dbraw/zinc/11/31/49/175113149.db2.gz MYZUYHTZAMPLCP-CQSZACIVSA-N 2 0 291.395 1.313 10 0 CDAERP CCC[NH2+][C@H]1CCC[C@H]1N1CCC([NH+](C)C)CC1 ZINC000043897533 175120594 /nfs/dbraw/zinc/12/05/94/175120594.db2.gz QNBYFMMSWWOLLJ-LSDHHAIUSA-N 2 0 253.434 1.933 10 0 CDAERP CCC[NH2+][C@@H]1CCC[C@H]1N1CC[NH+](CC2CC2)CC1 ZINC000043968001 175128776 /nfs/dbraw/zinc/12/87/76/175128776.db2.gz NZEKLIGNUVMRKH-HZPDHXFCSA-N 2 0 265.445 1.935 10 0 CDAERP CC[NH2+][C@@H]1CCC[C@H]1N1CCC(C[NH+](C)C)CC1 ZINC000043970695 175131962 /nfs/dbraw/zinc/13/19/62/175131962.db2.gz QNJGLIJFYRVWIE-HUUCEWRRSA-N 2 0 253.434 1.791 10 0 CDAERP CCC[NH+]1CCN([C@H](c2cnn(C)c2)[C@H]([NH3+])CC)CC1 ZINC000044418516 175173371 /nfs/dbraw/zinc/17/33/71/175173371.db2.gz URZZOJBAGRHIFM-HUUCEWRRSA-N 2 0 279.432 1.226 10 0 CDAERP CCCNC(=O)[C@@H](C)[NH2+]CC1CC[NH+](CC)CC1 ZINC000044518643 175190788 /nfs/dbraw/zinc/19/07/88/175190788.db2.gz SILQLLRBWYYRDT-GFCCVEGCSA-N 2 0 255.406 1.223 10 0 CDAERP CC1CCC(OC[C@H](O)C[NH2+]C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000044536338 175198512 /nfs/dbraw/zinc/19/85/12/175198512.db2.gz FRXNALNURRIMDT-JCCCHCCOSA-N 2 0 298.471 1.874 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1CCCCN1C)[C@@H]1CCC[N@H+](C)C1 ZINC000044561413 175204907 /nfs/dbraw/zinc/20/49/07/175204907.db2.gz BKCGVGZYGBDPJK-ZNMIVQPWSA-N 2 0 253.434 1.791 10 0 CDAERP CCC[NH2+]CC(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000044646690 175223362 /nfs/dbraw/zinc/22/33/62/175223362.db2.gz OFYDCEZGLXGCCL-UHFFFAOYSA-N 2 0 277.412 1.624 10 0 CDAERP CCC[C@H](C[NH3+])C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000044995403 175287130 /nfs/dbraw/zinc/28/71/30/175287130.db2.gz WPMGQLHYMOWFHQ-QWHCGFSZSA-N 2 0 255.406 1.352 10 0 CDAERP CCC[NH2+][C@@H]1CCN(C[C@H]2CC[N@@H+](C(C)C)C2)C1=O ZINC000045135370 175312868 /nfs/dbraw/zinc/31/28/68/175312868.db2.gz TYFXDPMOWMZFEO-UONOGXRCSA-N 2 0 267.417 1.317 10 0 CDAERP Cc1nn(C)c(C)c1[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C)C1 ZINC000045171429 175321098 /nfs/dbraw/zinc/32/10/98/175321098.db2.gz NWEITENULLEIOT-ZWNOBZJWSA-N 2 0 250.390 1.639 10 0 CDAERP CCC[N@H+](CCC[C@](C)([NH2+]C(C)C)C(N)=O)C1CC1 ZINC000045387655 175374117 /nfs/dbraw/zinc/37/41/17/175374117.db2.gz FMGLBECOKQUDNX-HNNXBMFYSA-N 2 0 269.433 1.883 10 0 CDAERP CCOC(=O)[C@](C)([NH3+])CCC[N@H+](C)[C@@H](C)C1CC1 ZINC000045392974 175375808 /nfs/dbraw/zinc/37/58/08/175375808.db2.gz HLDKKHVVAQGDKZ-SMDDNHRTSA-N 2 0 256.390 1.777 10 0 CDAERP CCC[NH2+][C@@](C)(CCCC[N@@H+]1CCOC[C@@H]1CC)C(N)=O ZINC000045418932 175377088 /nfs/dbraw/zinc/37/70/88/175377088.db2.gz PUBMWHJILGJJPX-HOCLYGCPSA-N 2 0 299.459 1.511 10 0 CDAERP CC[N@H+](CCCC[C@@](C)([NH2+]C)C(N)=O)C[C@@H]1CCCO1 ZINC000045421634 175380103 /nfs/dbraw/zinc/38/01/03/175380103.db2.gz SLQPTMGUFMVCJY-DZGCQCFKSA-N 2 0 285.432 1.121 10 0 CDAERP [NH3+]CCC1CC[NH+](C[C@H](O)COCc2ccccc2)CC1 ZINC000070380473 175901375 /nfs/dbraw/zinc/90/13/75/175901375.db2.gz CEFRKUZSHSRVOP-KRWDZBQOSA-N 2 0 292.423 1.625 10 0 CDAERP [NH3+]C[C@](O)(CN1CCC([NH+]2CCCCC2)CC1)C1CC1 ZINC000070521401 175966347 /nfs/dbraw/zinc/96/63/47/175966347.db2.gz ACVVVCZIZLAAGV-INIZCTEOSA-N 2 0 281.444 1.037 10 0 CDAERP CCOC(=O)CC[N@H+](C)C[C@@H](C[NH3+])c1ccccc1 ZINC000070941127 176015280 /nfs/dbraw/zinc/01/52/80/176015280.db2.gz LXOJSIRRPOTDPX-CQSZACIVSA-N 2 0 264.369 1.614 10 0 CDAERP CC[C@@H]1CN(C[C@@H](C[NH3+])c2ccccc2)CC[N@@H+]1C ZINC000070942706 176015968 /nfs/dbraw/zinc/01/59/68/176015968.db2.gz BEQRMMNBAXDCDQ-HZPDHXFCSA-N 2 0 261.413 1.755 10 0 CDAERP CCC[NH+]1CCC(N2CCC[C@@H]([NH2+]C)C2=O)CC1 ZINC000071032028 176023263 /nfs/dbraw/zinc/02/32/63/176023263.db2.gz DESXQWTYVCGLSF-CYBMUJFWSA-N 2 0 253.390 1.071 10 0 CDAERP CC[NH2+][C@@H]1CCCN([C@@H](C[NH+](C)C)C(C)C)C1=O ZINC000071034280 176024235 /nfs/dbraw/zinc/02/42/35/176024235.db2.gz XEZJAACNUOGWGC-OLZOCXBDSA-N 2 0 255.406 1.173 10 0 CDAERP C[NH2+][C@@H]1CCCN(CCCC[N@H+](C)C(C)C)C1=O ZINC000071034898 176024970 /nfs/dbraw/zinc/02/49/70/176024970.db2.gz LZPJLVJLMUUOPG-CYBMUJFWSA-N 2 0 255.406 1.317 10 0 CDAERP C[C@H](CN1CC[C@@H]([NH2+]C2CC2)C1=O)[NH+]1CCCCC1 ZINC000071036369 176025452 /nfs/dbraw/zinc/02/54/52/176025452.db2.gz VSFKIJFJWYFJSV-TZMCWYRMSA-N 2 0 265.401 1.214 10 0 CDAERP CC[NH+](CC)CCC[C@H](C)N1CC[C@@H]([NH2+]C)C1=O ZINC000071038065 176026481 /nfs/dbraw/zinc/02/64/81/176026481.db2.gz MBDKFKVPDONGDG-QWHCGFSZSA-N 2 0 255.406 1.317 10 0 CDAERP C[N@H+](CCN1CC[C@H]([NH2+]C2CC2)C1=O)C1CCCC1 ZINC000071043694 176029891 /nfs/dbraw/zinc/02/98/91/176029891.db2.gz PMDYMBSGYAARCV-AWEZNQCLSA-N 2 0 265.401 1.214 10 0 CDAERP CC[C@H]1CCC[C@@H]([N@H+](C)CC(=O)N2CC[NH2+]CC2)C1 ZINC000071126303 176035760 /nfs/dbraw/zinc/03/57/60/176035760.db2.gz DBEDPMFKNMVJRB-UONOGXRCSA-N 2 0 267.417 1.319 10 0 CDAERP Cc1nn(C)c(N(C)C[C@H]2CC[N@H+](C)C2)c1C[NH2+]C(C)C ZINC000071190052 176065622 /nfs/dbraw/zinc/06/56/22/176065622.db2.gz JLVBLQZILLICQE-AWEZNQCLSA-N 2 0 293.459 1.614 10 0 CDAERP C[NH2+]Cc1nc(C(C)C)ncc1N(C)C[C@H]1CC[N@H+](C)C1 ZINC000071191729 176072722 /nfs/dbraw/zinc/07/27/22/176072722.db2.gz VCSODKBQTABXMP-ZDUSSCGKSA-N 2 0 291.443 1.707 10 0 CDAERP CN(CC[NH2+]Cc1ccccc1)C[C@H]1CC[N@H+](C)C1 ZINC000071192366 176073730 /nfs/dbraw/zinc/07/37/30/176073730.db2.gz SSRGHVWAQHEGAV-INIZCTEOSA-N 2 0 261.413 1.660 10 0 CDAERP CC[NH+]1CCC(CN2CC[C@@H]([NH2+]C(C)C)C2)CC1 ZINC000071200987 176077483 /nfs/dbraw/zinc/07/74/83/176077483.db2.gz JDGMZGRISNPBFE-OAHLLOKOSA-N 2 0 253.434 1.791 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)NCC[N@H+](C)C1CCCC1 ZINC000071378402 176142832 /nfs/dbraw/zinc/14/28/32/176142832.db2.gz NWQGPROARRDUEX-LBPRGKRZSA-N 2 0 255.406 1.365 10 0 CDAERP C[C@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000071380149 176144281 /nfs/dbraw/zinc/14/42/81/176144281.db2.gz KDJUGTXVVOBNAJ-YDHLFZDLSA-N 2 0 281.444 1.741 10 0 CDAERP C[C@H]([NH3+])[C@H](c1ccccc1)N1CC[NH+](CC(C)(C)O)CC1 ZINC000071380171 176144482 /nfs/dbraw/zinc/14/44/82/176144482.db2.gz ALOQGZDVQLWNHZ-GOEBONIOSA-N 2 0 291.439 1.463 10 0 CDAERP C[C@H]([NH3+])[C@@H](c1ccco1)N1CC[NH+](CC(C)(C)O)CC1 ZINC000071380342 176144748 /nfs/dbraw/zinc/14/47/48/176144748.db2.gz JNDVBOMRCUXMFP-JSGCOSHPSA-N 2 0 281.400 1.056 10 0 CDAERP [NH3+][C@H](CCC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000071400769 176152985 /nfs/dbraw/zinc/15/29/85/176152985.db2.gz QKNIWPAFDNNBDH-HZPDHXFCSA-N 2 0 287.407 1.773 10 0 CDAERP CC(C)[C@@H](CC[NH3+])CCC(=O)N[C@H](C)CC[NH+](C)C ZINC000079278154 177461875 /nfs/dbraw/zinc/46/18/75/177461875.db2.gz OXNLMMZYRVTCFE-ZIAGYGMSSA-N 2 0 271.449 1.844 10 0 CDAERP COCC[NH+](CCC[C@@H](CC[NH3+])C(C)C)CCOC ZINC000079279879 177462780 /nfs/dbraw/zinc/46/27/80/177462780.db2.gz UWPHWWSLBLWXHQ-HNNXBMFYSA-N 2 0 274.449 1.982 10 0 CDAERP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000417907723 227144531 /nfs/dbraw/zinc/14/45/31/227144531.db2.gz APCUEDVPRXDFIQ-FEWQNLEASA-N 2 0 296.459 1.486 10 0 CDAERP CCn1nncc1C[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000417941194 227246985 /nfs/dbraw/zinc/24/69/85/227246985.db2.gz MPZHPLIDPUYMHW-KBPBESRZSA-N 2 0 295.431 1.277 10 0 CDAERP COc1ccc(OC)c(C[NH2+]CC[C@@H]2CC[NH2+]C2)c1 ZINC000258899253 270309224 /nfs/dbraw/zinc/30/92/24/270309224.db2.gz DISWMXMUDDBIJK-LBPRGKRZSA-N 2 0 264.369 1.793 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)CC[C@@H]2CC[NH2+]C2)CC1 ZINC000521432838 262334806 /nfs/dbraw/zinc/33/48/06/262334806.db2.gz IUAITRLOLOGXSP-WLYUNCDWSA-N 2 0 281.444 1.613 10 0 CDAERP COc1ccc(C[N@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662249218 423792711 /nfs/dbraw/zinc/79/27/11/423792711.db2.gz JXTKUPDNGOUKHX-HNNXBMFYSA-N 2 0 276.380 1.648 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)[C@H](C)C1 ZINC000655449291 423875458 /nfs/dbraw/zinc/87/54/58/423875458.db2.gz TVXWXYAJWMEQAG-WBTNSWJXSA-N 2 0 293.455 1.565 10 0 CDAERP Cc1cc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)ncn1 ZINC000662271946 423824799 /nfs/dbraw/zinc/82/47/99/423824799.db2.gz CDFBJGLDCYTIKC-CQSZACIVSA-N 2 0 260.385 1.607 10 0 CDAERP CC(C)C[N@H+](C)CCC[NH2+]C1CCN(C(=O)N(C)C)CC1 ZINC000651865698 423827721 /nfs/dbraw/zinc/82/77/21/423827721.db2.gz FBAVEWQCPVMCPY-UHFFFAOYSA-N 2 0 298.475 1.700 10 0 CDAERP CN(Cc1cccc2c1CC[NH2+]C2)[C@H](C[NH3+])C1CC1 ZINC000662274592 423837853 /nfs/dbraw/zinc/83/78/53/423837853.db2.gz XMNIJGBNJAFZKX-MRXNPFEDSA-N 2 0 259.397 1.501 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000659536922 423982032 /nfs/dbraw/zinc/98/20/32/423982032.db2.gz PPLYQMDDJTUMJF-FRRDWIJNSA-N 2 0 282.432 1.156 10 0 CDAERP CC[N@H+](CCCNC(=O)NC/C=C/C[NH3+])C1CCCCC1 ZINC000652219470 424064823 /nfs/dbraw/zinc/06/48/23/424064823.db2.gz AMYKYVZRIMLYSB-VOTSOKGWSA-N 2 0 296.459 1.845 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCc1ccc(C[NH3+])cc1F ZINC000652216033 424067331 /nfs/dbraw/zinc/06/73/31/424067331.db2.gz HIWMXMVOEYSDKJ-QMTHXVAHSA-N 2 0 294.374 1.082 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000652215880 424067523 /nfs/dbraw/zinc/06/75/23/424067523.db2.gz BUILEUOHXZOOTL-IUODEOHRSA-N 2 0 290.411 1.203 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1ccc(C[NH3+])cc1F ZINC000652214583 424070420 /nfs/dbraw/zinc/07/04/20/424070420.db2.gz KOZOVLKZULWFMI-YGRLFVJLSA-N 2 0 294.374 1.082 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655246352 424081488 /nfs/dbraw/zinc/08/14/88/424081488.db2.gz JCPBVTISPRYVFY-MJBXVCDLSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCCC1(C[NH3+])CC1 ZINC000652234305 424106742 /nfs/dbraw/zinc/10/67/42/424106742.db2.gz ZMFAHMDJKVYLCJ-KBPBESRZSA-N 2 0 294.443 1.384 10 0 CDAERP CC[C@@H]1C[N@H+](CC)CCN1C(=O)NCCC1(C[NH3+])CC1 ZINC000652233073 424108022 /nfs/dbraw/zinc/10/80/22/424108022.db2.gz MFVWMUIWAGBCPI-CYBMUJFWSA-N 2 0 282.432 1.241 10 0 CDAERP c1cc2c(cc1C[N@@H+]1CC[C@@]3(CCOC3)C1)C[NH2+]CC2 ZINC000652338436 424257990 /nfs/dbraw/zinc/25/79/90/424257990.db2.gz CEGHTQBCKSIOHK-QGZVFWFLSA-N 2 0 272.392 1.945 10 0 CDAERP CC[C@H](C[NH+]1CCCC1)NC(=O)N(C)CC1C[NH+](C)C1 ZINC000664409528 424257927 /nfs/dbraw/zinc/25/79/27/424257927.db2.gz PKQNCZWAXVKBOM-CQSZACIVSA-N 2 0 282.432 1.064 10 0 CDAERP CCO[C@@H]1C[N@H+](CCCC2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000652356257 424304394 /nfs/dbraw/zinc/30/43/94/424304394.db2.gz YRHKCYBMZLCVTK-HUUCEWRRSA-N 2 0 269.433 1.062 10 0 CDAERP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CCOCC(F)F)C1 ZINC000652363413 424313482 /nfs/dbraw/zinc/31/34/82/424313482.db2.gz DGWWAZRSLLSHTQ-UPJWGTAASA-N 2 0 292.370 1.629 10 0 CDAERP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662694938 424329411 /nfs/dbraw/zinc/32/94/11/424329411.db2.gz DYIQFXWZNAPLPP-UONOGXRCSA-N 2 0 293.455 1.898 10 0 CDAERP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H]3COC[C@@]3(C)C2)CC1 ZINC000661703140 424331543 /nfs/dbraw/zinc/33/15/43/424331543.db2.gz JJEKIYXWBPJNIA-DLBZAZTESA-N 2 0 295.471 1.371 10 0 CDAERP C[C@H](CCCC[NH3+])NC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653141977 424364073 /nfs/dbraw/zinc/36/40/73/424364073.db2.gz VPMFWRHSTCMRJD-RAIGVLPGSA-N 2 0 253.390 1.151 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC[C@@H](C)SC1 ZINC000655713130 424482741 /nfs/dbraw/zinc/48/27/41/424482741.db2.gz VYGOEJBVKRIKPC-MCIONIFRSA-N 2 0 271.474 1.496 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662795350 424489442 /nfs/dbraw/zinc/48/94/42/424489442.db2.gz OFFCTDDGUGRWEG-UHFFFAOYSA-N 2 0 267.417 1.448 10 0 CDAERP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1([NH2+]C2CC2)CCC1 ZINC000662835608 424518110 /nfs/dbraw/zinc/51/81/10/424518110.db2.gz PYQJQINDRHHRHU-HUUCEWRRSA-N 2 0 291.439 1.794 10 0 CDAERP O=C(C[C@H]1CC[NH2+]C1)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000662835357 424518693 /nfs/dbraw/zinc/51/86/93/424518693.db2.gz MMCNSQSNPKJGQE-MCIONIFRSA-N 2 0 265.401 1.119 10 0 CDAERP CO[C@H](C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)[C@@H]1CCOC1 ZINC000665235682 424469788 /nfs/dbraw/zinc/46/97/88/424469788.db2.gz YQSMAXQZHMKBCG-NORZTCDRSA-N 2 0 293.411 1.551 10 0 CDAERP CCC(C)(C)NC(=O)CN1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397360363 270348609 /nfs/dbraw/zinc/34/86/09/270348609.db2.gz LQFUQYJLHZKIGX-UPJWGTAASA-N 2 0 269.433 1.596 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cn(C)nc1C(F)(F)F ZINC000422962270 274496188 /nfs/dbraw/zinc/49/61/88/274496188.db2.gz CKGOFJLIHTWTOX-JGVFFNPUSA-N 2 0 264.295 1.654 10 0 CDAERP CC(C)[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001668173037 1173377811 /nfs/dbraw/zinc/37/78/11/1173377811.db2.gz AFWAKPVFLWBWOT-STQMWFEESA-N 2 0 255.406 1.364 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](C)C1 ZINC000357420345 276009490 /nfs/dbraw/zinc/00/94/90/276009490.db2.gz RSTOETRJHYDLKB-KGLIPLIRSA-N 2 0 267.417 1.413 10 0 CDAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H](C)O)CC1 ZINC000088667986 276013165 /nfs/dbraw/zinc/01/31/65/276013165.db2.gz ZJMFULIZKNBZPH-OAHLLOKOSA-N 2 0 291.439 1.689 10 0 CDAERP CC1(C)OCC[C@@H]1[NH2+]C/C=C/C[NH2+][C@H]1CCOC1(C)C ZINC000451246915 276155999 /nfs/dbraw/zinc/15/59/99/276155999.db2.gz WXEBPYQQQZBKIU-BEVHLOIGSA-N 2 0 282.428 1.857 10 0 CDAERP C(C[NH+]1CCCC1)OC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000336802655 276804788 /nfs/dbraw/zinc/80/47/88/276804788.db2.gz VKMKVFWUQCBKIA-AWEZNQCLSA-N 2 0 268.401 1.352 10 0 CDAERP C[C@H](CC[NH2+]C/C=C/Cl)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001668274351 1173389785 /nfs/dbraw/zinc/38/97/85/1173389785.db2.gz QRGNFBDSSPXGBA-QNTSXVQBSA-N 2 0 287.835 1.565 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC000126118912 277397767 /nfs/dbraw/zinc/39/77/67/277397767.db2.gz UAIDTIUAMGARBL-AWEZNQCLSA-N 2 0 269.433 1.563 10 0 CDAERP C[C@H](CNC(=O)C[NH2+]C1CCCC1)C[NH+]1CCCCC1 ZINC000038042255 278197901 /nfs/dbraw/zinc/19/79/01/278197901.db2.gz HDAMSZZMJLRTAO-CQSZACIVSA-N 2 0 281.444 1.757 10 0 CDAERP C[C@H]([NH3+])[C@H]1COCC[C@H]1NCC[N@H+](C)C1CCCCC1 ZINC000422709311 278231959 /nfs/dbraw/zinc/23/19/59/278231959.db2.gz YUKXVBWZQNMHEP-NUEKZKHPSA-N 2 0 283.460 1.593 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089457578 278891715 /nfs/dbraw/zinc/89/17/15/278891715.db2.gz NEVOZLXMDSHMFC-ZIAGYGMSSA-N 2 0 267.417 1.162 10 0 CDAERP C[C@@H]1C[C@H](C)N(C(=O)COC2CCC([NH3+])CC2)C[C@@H]1C[NH3+] ZINC000422536027 278953763 /nfs/dbraw/zinc/95/37/63/278953763.db2.gz DQWJVZUDHAEYBN-RIUMEUQESA-N 2 0 297.443 1.105 10 0 CDAERP CC[NH+](CC)CCC[N@@H+]1CCCC[C@@H]1CC(N)=O ZINC000338306589 279094172 /nfs/dbraw/zinc/09/41/72/279094172.db2.gz MVNOHVLHCWGNOC-CYBMUJFWSA-N 2 0 255.406 1.448 10 0 CDAERP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000359594895 279110602 /nfs/dbraw/zinc/11/06/02/279110602.db2.gz FHBSZBXXONNWOK-RYUDHWBXSA-N 2 0 298.349 1.342 10 0 CDAERP CC(C)C[C@H](CNC(=O)[C@H]1CCC[C@H]1[NH3+])[NH+](C)C ZINC000251415688 279161114 /nfs/dbraw/zinc/16/11/14/279161114.db2.gz OWZKRIBWKPFMSH-FRRDWIJNSA-N 2 0 255.406 1.206 10 0 CDAERP C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000423408444 279247868 /nfs/dbraw/zinc/24/78/68/279247868.db2.gz XMRXFIKDYJXOKE-GUTXKFCHSA-N 2 0 275.396 1.991 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000252576305 279297568 /nfs/dbraw/zinc/29/75/68/279297568.db2.gz IAVKJDPSMQCGTJ-KFWWJZLASA-N 2 0 281.444 1.837 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCN2C[C@H]3CC[C@@H](C2)O3)[C@@H](C)C1 ZINC000343296535 279397890 /nfs/dbraw/zinc/39/78/90/279397890.db2.gz DOAPVWKKBGVBAC-MWDXBVQZSA-N 2 0 295.471 1.512 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000335532757 279481389 /nfs/dbraw/zinc/48/13/89/279481389.db2.gz FEWJYEJVRJLIAP-OCCSQVGLSA-N 2 0 267.417 1.364 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000194146636 280025539 /nfs/dbraw/zinc/02/55/39/280025539.db2.gz JGZZNXAZLAWSOQ-GJZGRUSLSA-N 2 0 296.459 1.644 10 0 CDAERP CCC[C@H](C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1)[NH+](C)C ZINC000245664744 280226798 /nfs/dbraw/zinc/22/67/98/280226798.db2.gz IKBHIVRNGQZDKR-SOUVJXGZSA-N 2 0 299.459 1.332 10 0 CDAERP CCOCCN1CCN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]1CC ZINC000246886700 280308568 /nfs/dbraw/zinc/30/85/68/280308568.db2.gz DMGRUNAMGNNZQY-GJZGRUSLSA-N 2 0 299.459 1.286 10 0 CDAERP CC[C@](C)(O)C[N@@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000248652271 280371206 /nfs/dbraw/zinc/37/12/06/280371206.db2.gz NPSBVDDADMZNQK-IRXDYDNUSA-N 2 0 291.439 1.996 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CC1CC[NH2+]CC1 ZINC000094440776 288293630 /nfs/dbraw/zinc/29/36/30/288293630.db2.gz YMNSIIVWYFXNDI-UKRRQHHQSA-N 2 0 251.418 1.545 10 0 CDAERP CC1(C)CN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC[C@H]1[NH3+] ZINC000334948307 281174752 /nfs/dbraw/zinc/17/47/52/281174752.db2.gz ZAYWHZMZAGWOEK-DOMZBBRYSA-N 2 0 282.432 1.145 10 0 CDAERP CC(C)(C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)N1CCCC1 ZINC000527813954 281190970 /nfs/dbraw/zinc/19/09/70/281190970.db2.gz XCAHOQBTJBRWSF-GJZGRUSLSA-N 2 0 293.455 1.851 10 0 CDAERP Cc1cccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1O ZINC000531357994 281749586 /nfs/dbraw/zinc/74/95/86/281749586.db2.gz TYLHXAIANQBBLL-UHFFFAOYSA-N 2 0 293.411 1.266 10 0 CDAERP CN(C)C(=O)[C@H](Cc1ccccc1)[NH2+]C1CCC([NH3+])CC1 ZINC000415089161 289014851 /nfs/dbraw/zinc/01/48/51/289014851.db2.gz NAGMLELUMLMZKA-GPANFISMSA-N 2 0 289.423 1.545 10 0 CDAERP C[NH+](C)C(C)(C)CNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000234243825 289035982 /nfs/dbraw/zinc/03/59/82/289035982.db2.gz XDDFEDTVLJHOKT-LLVKDONJSA-N 2 0 255.406 1.221 10 0 CDAERP C[C@@H]1[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)C[C@H]1c1ccccc1 ZINC000263162459 289059728 /nfs/dbraw/zinc/05/97/28/289059728.db2.gz DYNUWDNSPTTZIV-GZFHQYITSA-N 2 0 260.381 1.349 10 0 CDAERP C[NH+](C)C1CCN(CCCN2CCC([NH+](C)C)CC2)CC1 ZINC000153825401 289183057 /nfs/dbraw/zinc/18/30/57/289183057.db2.gz FFDVEZJOWLFVON-UHFFFAOYSA-N 2 0 296.503 1.429 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)C1 ZINC000262034873 289308830 /nfs/dbraw/zinc/30/88/30/289308830.db2.gz XUQXCOGRDXNWNH-DMRKSPOLSA-N 2 0 295.471 1.606 10 0 CDAERP COC[C@@H](C)C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000253294138 289341691 /nfs/dbraw/zinc/34/16/91/289341691.db2.gz CIIFURTYMGXNAG-YESZJQIVSA-N 2 0 297.487 1.759 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000561156188 293056263 /nfs/dbraw/zinc/05/62/63/293056263.db2.gz RONWQYDHLBEXDV-GDBMZVCRSA-N 2 0 296.459 1.502 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000563110469 293277683 /nfs/dbraw/zinc/27/76/83/293277683.db2.gz WVGJIQKMWYFHEC-RDBSUJKOSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)[C@H](C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)[C@@H](C)[NH3+] ZINC000568381321 294024128 /nfs/dbraw/zinc/02/41/28/294024128.db2.gz GQEJSGTUMLORQQ-IPYPFGDCSA-N 2 0 267.417 1.208 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(OC)cc1C ZINC000573355342 294802582 /nfs/dbraw/zinc/80/25/82/294802582.db2.gz RVWBYDSMMUMQBM-CQSZACIVSA-N 2 0 266.385 1.847 10 0 CDAERP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)[C@@H]1C[C@H]1C ZINC000575151062 316969587 /nfs/dbraw/zinc/96/95/87/316969587.db2.gz GRVCSMMSSHIZMX-RBSFLKMASA-N 2 0 253.434 1.648 10 0 CDAERP c1cc2c(cc1C[N@@H+]1CC[C@@H]3OCC[C@@H]3C1)C[NH2+]CC2 ZINC000576232957 317102324 /nfs/dbraw/zinc/10/23/24/317102324.db2.gz HEMAHGIDBWMZIX-WBVHZDCISA-N 2 0 272.392 1.943 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@H]1CCC[C@@H]1O ZINC000576316690 317115492 /nfs/dbraw/zinc/11/54/92/317115492.db2.gz PCZRGVBFYCRARZ-CJNGLKHVSA-N 2 0 286.379 1.826 10 0 CDAERP COc1ccc([C@H](C[NH3+])CN2CCC3(CC[NH2+]3)CC2)cc1 ZINC000577170501 317277316 /nfs/dbraw/zinc/27/73/16/317277316.db2.gz BYHFHQCSCBPTFD-OAHLLOKOSA-N 2 0 289.423 1.565 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CC[C@@H](CC[NH2+]CCCF)C1 ZINC001672909751 1173807983 /nfs/dbraw/zinc/80/79/83/1173807983.db2.gz IJVKGNZQNMWXKN-CQSZACIVSA-N 2 0 285.407 1.270 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000579368606 324170503 /nfs/dbraw/zinc/17/05/03/324170503.db2.gz HMRLZFLTPJOESP-DZGCQCFKSA-N 2 0 273.380 1.012 10 0 CDAERP CC(C)CC(C)(C)C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000582660824 325017869 /nfs/dbraw/zinc/01/78/69/325017869.db2.gz QKWOMBCBVZUURI-HNNXBMFYSA-N 2 0 285.476 1.257 10 0 CDAERP CCCCC[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001673928053 1173898522 /nfs/dbraw/zinc/89/85/22/1173898522.db2.gz AMGTVMJKGZJGMG-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC[NH2+]1 ZINC000584527982 329513070 /nfs/dbraw/zinc/51/30/70/329513070.db2.gz SYMAKFFUNKDRDL-AJNGGQMLSA-N 2 0 279.428 1.223 10 0 CDAERP CN(CC[NH2+]CC1CC1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001267389654 1159365491 /nfs/dbraw/zinc/36/54/91/1159365491.db2.gz AANNINLERYQSND-GJZGRUSLSA-N 2 0 279.428 1.461 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]CC=C(C)C ZINC001481319559 1159655664 /nfs/dbraw/zinc/65/56/64/1159655664.db2.gz ILWUIHMHCSKPDF-HNNXBMFYSA-N 2 0 281.444 1.875 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCCO)C[C@H]1C ZINC001671255815 1159711954 /nfs/dbraw/zinc/71/19/54/1159711954.db2.gz AAAJCCGWIVYFFK-CABCVRRESA-N 2 0 299.459 1.070 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001481738999 1159923893 /nfs/dbraw/zinc/92/38/93/1159923893.db2.gz RRVQMEWOJCZEDZ-HNNXBMFYSA-N 2 0 283.460 1.907 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)CC2([NH3+])CC2)CC1 ZINC000398030928 482216393 /nfs/dbraw/zinc/21/63/93/482216393.db2.gz CVIPOVWQPZRZQH-UHFFFAOYSA-N 2 0 253.390 1.201 10 0 CDAERP C[C@H](O)C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)C1CC1 ZINC000668298503 482359578 /nfs/dbraw/zinc/35/95/78/482359578.db2.gz ATCIQUTZNVKTPU-LBPRGKRZSA-N 2 0 272.352 1.613 10 0 CDAERP CC1=CCN(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)CC1 ZINC000665760752 482445460 /nfs/dbraw/zinc/44/54/60/482445460.db2.gz OLXBZOZMESMAMN-HNNXBMFYSA-N 2 0 296.459 1.620 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)NC/C=C/C[NH3+])c1ccccc1 ZINC000668562755 482478143 /nfs/dbraw/zinc/47/81/43/482478143.db2.gz ZCWGHHWOHYEAIQ-PSKZRQQASA-N 2 0 276.384 1.103 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000672753925 482600553 /nfs/dbraw/zinc/60/05/53/482600553.db2.gz BHEAIXZDHMMMIJ-KGLIPLIRSA-N 2 0 282.432 1.254 10 0 CDAERP C[C@H]1CC[C@H]([NH2+]CCCC[NH+]2CCOCC2)CS1 ZINC000655692330 482668977 /nfs/dbraw/zinc/66/89/77/482668977.db2.gz OSKKHOZHBYAACE-KBPBESRZSA-N 2 0 272.458 1.973 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334407706 482724820 /nfs/dbraw/zinc/72/48/20/482724820.db2.gz RKHDLJOTVRDJLK-ZBFHGGJFSA-N 2 0 279.428 1.463 10 0 CDAERP COCC1(CC[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])CC1 ZINC000647801470 482757011 /nfs/dbraw/zinc/75/70/11/482757011.db2.gz WREKMKLTABQZRV-YNEHKIRRSA-N 2 0 256.390 1.145 10 0 CDAERP CO[C@H]1CCC[C@H]([NH2+]CCCC[NH+]2CCOCC2)C1 ZINC000684370000 482777108 /nfs/dbraw/zinc/77/71/08/482777108.db2.gz HTYDAMKWSFWQKP-GJZGRUSLSA-N 2 0 270.417 1.646 10 0 CDAERP C[NH2+][C@H](C)C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000379661228 482813408 /nfs/dbraw/zinc/81/34/08/482813408.db2.gz DSDMILBBQRUYFR-ZIAGYGMSSA-N 2 0 277.412 1.621 10 0 CDAERP CCC[N@@H+]1CC[C@@H](NC(=O)C2CCC([NH3+])CC2)C1 ZINC000389621103 482840082 /nfs/dbraw/zinc/84/00/82/482840082.db2.gz BQMUAZWJSQDJFH-WXRRBKDZSA-N 2 0 253.390 1.104 10 0 CDAERP C[C@H](CCC[NH3+])[NH2+]Cc1cn2cccc(F)c2n1 ZINC000666941507 483010065 /nfs/dbraw/zinc/01/00/65/483010065.db2.gz XDMQWNDVHWVYPO-SNVBAGLBSA-N 2 0 250.321 1.690 10 0 CDAERP C[C@@H](CCC[NH3+])[NH2+]Cc1cn2cccc(F)c2n1 ZINC000666941506 483010133 /nfs/dbraw/zinc/01/01/33/483010133.db2.gz XDMQWNDVHWVYPO-JTQLQIEISA-N 2 0 250.321 1.690 10 0 CDAERP CC[NH+](CC)CCN(CC(C)C)C(=O)C[C@H]1CC[NH2+]C1 ZINC000089744701 483129693 /nfs/dbraw/zinc/12/96/93/483129693.db2.gz FJZRZHWDFLNTIN-OAHLLOKOSA-N 2 0 283.460 1.812 10 0 CDAERP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC/C=C/C[NH3+] ZINC000669470439 483185981 /nfs/dbraw/zinc/18/59/81/483185981.db2.gz HGLVGBGZBZTWKB-GJBLVYBDSA-N 2 0 282.432 1.455 10 0 CDAERP O=C1c2ccccc2C(=O)N1CC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666857887 483187728 /nfs/dbraw/zinc/18/77/28/483187728.db2.gz OETIRDJSXARGHB-LBPRGKRZSA-N 2 0 287.363 1.014 10 0 CDAERP C[NH+](C)[C@H]1CCCN(Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667585102 483341706 /nfs/dbraw/zinc/34/17/06/483341706.db2.gz QLTWVOQILDKBOE-HNNXBMFYSA-N 2 0 285.395 1.793 10 0 CDAERP CC[C@H](C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[NH+](C)C ZINC000675778948 483365984 /nfs/dbraw/zinc/36/59/84/483365984.db2.gz CEUTUQZWLHVZJD-CYBMUJFWSA-N 2 0 273.340 1.546 10 0 CDAERP C[C@@H]([NH2+]C[C@@]1(CCO)CCOC1)C1CC[NH+](C)CC1 ZINC000675936445 483383692 /nfs/dbraw/zinc/38/36/92/483383692.db2.gz KETHXYGXVWYKJN-UKRRQHHQSA-N 2 0 270.417 1.095 10 0 CDAERP COc1cccc(C[C@H](C)[NH2+][C@H]2CCCN(C)C2)n1 ZINC000679989505 483508440 /nfs/dbraw/zinc/50/84/40/483508440.db2.gz QGUFZCOFPIBHSE-JSGCOSHPSA-N 2 0 263.385 1.705 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000680509778 483644093 /nfs/dbraw/zinc/64/40/93/483644093.db2.gz DOIGDYQSHRPBPD-AWEZNQCLSA-N 2 0 282.432 1.064 10 0 CDAERP COCC[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001691623376 1160721093 /nfs/dbraw/zinc/72/10/93/1160721093.db2.gz USJBHQGZUQCGSI-HNNXBMFYSA-N 2 0 299.459 1.191 10 0 CDAERP C(C[C@H]1CCC[NH2+]C1)CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062943174 518396151 /nfs/dbraw/zinc/39/61/51/518396151.db2.gz VEGYNDQVFPLSNL-HZPDHXFCSA-N 2 0 265.445 1.936 10 0 CDAERP CC(C)[NH+](CCNC(=O)[C@@H]1[C@@H](C)CCC[C@@H]1[NH3+])C(C)C ZINC000055125047 519647295 /nfs/dbraw/zinc/64/72/95/519647295.db2.gz QCAAQDSVTZESDC-SOUVJXGZSA-N 2 0 283.460 1.985 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@@H](C[N@@H+]2CCCSCC2)O1 ZINC000052371147 519953527 /nfs/dbraw/zinc/95/35/27/519953527.db2.gz DXIKTZPEDMNUMA-STQMWFEESA-N 2 0 258.431 1.582 10 0 CDAERP CC[NH2+]Cc1c(C)nn(C)c1N1CCC[C@@H]1C[NH+](C)C ZINC000061646049 519982682 /nfs/dbraw/zinc/98/26/82/519982682.db2.gz LTGDFBKZCLJFFJ-CYBMUJFWSA-N 2 0 279.432 1.368 10 0 CDAERP CC[NH2+]Cc1ccc(CN2CCC[C@H]2C[NH+](C)C)o1 ZINC000061654488 519995849 /nfs/dbraw/zinc/99/58/49/519995849.db2.gz KDAIJQNEVSCOSN-ZDUSSCGKSA-N 2 0 265.401 1.915 10 0 CDAERP CC[N@H+](CCn1cc(C[NH2+]C(C)(C)C)nn1)C(C)C ZINC000052446871 521183376 /nfs/dbraw/zinc/18/33/76/521183376.db2.gz NTLCBUWBTZWLSY-UHFFFAOYSA-N 2 0 267.421 1.897 10 0 CDAERP CCC(CC)[C@H](CNC(=O)CC[NH3+])[NH+]1CCCC1 ZINC000164394793 521617173 /nfs/dbraw/zinc/61/71/73/521617173.db2.gz NTQMMKZGCGNPQL-ZDUSSCGKSA-N 2 0 255.406 1.352 10 0 CDAERP CCCN(CC[NH+](C)C)c1ncc(C[NH2+]C)s1 ZINC000054908129 521658433 /nfs/dbraw/zinc/65/84/33/521658433.db2.gz VDYAMDPGWRQRSM-UHFFFAOYSA-N 2 0 256.419 1.641 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001713958443 1178887344 /nfs/dbraw/zinc/88/73/44/1178887344.db2.gz DIVIUPJPSCAUGP-JHJVBQTASA-N 2 0 255.406 1.221 10 0 CDAERP C[C@@H](C[NH2+]CCC(F)(F)F)N(C)C(=O)C[NH+]1CCCC1 ZINC001715375429 1179647712 /nfs/dbraw/zinc/64/77/12/1179647712.db2.gz NEICIYAQIGGFLI-NSHDSACASA-N 2 0 295.349 1.471 10 0 CDAERP C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CC[NH+]1CCCC1 ZINC000054602289 521953132 /nfs/dbraw/zinc/95/31/32/521953132.db2.gz FNEKZFIQJSAPJE-GOOCMWNKSA-N 2 0 251.418 1.687 10 0 CDAERP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000262332506 535583897 /nfs/dbraw/zinc/58/38/97/535583897.db2.gz FOINZGUSAUMKRV-KKUMJFAQSA-N 2 0 281.444 1.565 10 0 CDAERP CCC[NH2+]C[C@H](C)N(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001732446221 1182969306 /nfs/dbraw/zinc/96/93/06/1182969306.db2.gz AUGKGQYHLBSMLR-AWEZNQCLSA-N 2 0 283.460 1.953 10 0 CDAERP CCN(CC[NH2+]C(C)C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001732778525 1183122274 /nfs/dbraw/zinc/12/22/74/1183122274.db2.gz GBASFZQIGJCUSQ-VXGBXAGGSA-N 2 0 264.373 1.360 10 0 CDAERP CC(C)CCC[NH2+]CCN1CCN(CC[NH+](C)C)CC1 ZINC000061655377 519641433 /nfs/dbraw/zinc/64/14/33/519641433.db2.gz USQASJHEUQNGHJ-UHFFFAOYSA-N 2 0 284.492 1.191 10 0 CDAERP CC(C)[NH+](CCNC(=O)[C@@H]1CC[C@H](C)[C@@H]([NH3+])C1)C(C)C ZINC000055124992 519647619 /nfs/dbraw/zinc/64/76/19/519647619.db2.gz UJGOIYRXJKKVDA-ZNMIVQPWSA-N 2 0 283.460 1.985 10 0 CDAERP CC(C)[NH+]1CCC(C[NH3+])(N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000062978488 519669662 /nfs/dbraw/zinc/66/96/62/519669662.db2.gz DIDPCQVKKAKMPW-MRXNPFEDSA-N 3 0 294.487 1.358 10 0 CDAERP CC(C)[NH+]1CCN(C(=O)C2CCC(C[NH3+])CC2)CC1 ZINC000055147729 519678893 /nfs/dbraw/zinc/67/88/93/519678893.db2.gz BNPNBNALAZJJED-UHFFFAOYSA-N 2 0 267.417 1.304 10 0 CDAERP CC(C)[NH+]1CCN(C[C@H]2CC[C@@H](C[NH2+]C(C)(C)C)O2)CC1 ZINC000052480136 519682387 /nfs/dbraw/zinc/68/23/87/519682387.db2.gz OCUMEDCSCDHYDY-JKSUJKDBSA-N 2 0 297.487 1.948 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CC[C@H](CN2CCC([NH+](C)C)CC2)O1 ZINC000052477816 519746498 /nfs/dbraw/zinc/74/64/98/519746498.db2.gz ZTNKKMMNVWAAEY-IAGOWNOFSA-N 2 0 297.487 1.806 10 0 CDAERP CC(C)C[NH2+]Cc1ccc(OCC[NH+](C)C)nn1 ZINC000051548819 519747472 /nfs/dbraw/zinc/74/74/72/519747472.db2.gz SXTAHWQGNYHLGU-UHFFFAOYSA-N 2 0 252.362 1.163 10 0 CDAERP CCC[NH+]1CCN(C(=O)CC[C@H]2CCCC[NH2+]2)CC1 ZINC000050940427 519855394 /nfs/dbraw/zinc/85/53/94/519855394.db2.gz DVIULFFSUFICQR-CQSZACIVSA-N 2 0 267.417 1.463 10 0 CDAERP CCC[NH+]1CCN(C(=O)[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000055086464 519856624 /nfs/dbraw/zinc/85/66/24/519856624.db2.gz CZCIJYDCVWPRQV-CHWSQXEVSA-N 2 0 253.390 1.058 10 0 CDAERP CCOCCC[NH2+]C[C@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000055075920 519896924 /nfs/dbraw/zinc/89/69/24/519896924.db2.gz IIXQIFQDXOFRBI-INIZCTEOSA-N 2 0 285.476 1.665 10 0 CDAERP CCN(C(=O)C[N@H+](CCC[NH3+])C1CCCCC1)C1CC1 ZINC000049292291 519910063 /nfs/dbraw/zinc/91/00/63/519910063.db2.gz ONKXWZPMYXULLM-UHFFFAOYSA-N 2 0 281.444 1.981 10 0 CDAERP CC[NH2+]CCC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000061296563 519915702 /nfs/dbraw/zinc/91/57/02/519915702.db2.gz JMYJUWOQOSZBCW-UHFFFAOYSA-N 2 0 255.406 1.319 10 0 CDAERP CCC[NH2+]CC[C@@H](C)[N@H+](CCOC)[C@@H](C)COC ZINC000052572457 519918673 /nfs/dbraw/zinc/91/86/73/519918673.db2.gz JZHJOEYKJVMWNO-KGLIPLIRSA-N 2 0 260.422 1.748 10 0 CDAERP CCC[NH2+]Cc1ccnc(OCCC[NH+](C)C)c1 ZINC000051549275 519959412 /nfs/dbraw/zinc/95/94/12/519959412.db2.gz JCTJLXOSTWQPRI-UHFFFAOYSA-N 2 0 251.374 1.912 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@H](C[N@@H+]2CCOC(C)(C)C2)O1 ZINC000052481883 519981072 /nfs/dbraw/zinc/98/10/72/519981072.db2.gz VPFOLAVVPMMAMV-CHWSQXEVSA-N 2 0 256.390 1.254 10 0 CDAERP CCC[NH2+][C@@H](C)C1CC[NH+](C[C@@H](O)COCC)CC1 ZINC000069274303 519983929 /nfs/dbraw/zinc/98/39/29/519983929.db2.gz QMEYAXTZTIXICF-DZGCQCFKSA-N 2 0 272.433 1.484 10 0 CDAERP CC[NH2+]Cc1ccc(OCCOCC[NH+](C)C)cc1 ZINC000052669682 520000063 /nfs/dbraw/zinc/00/00/63/520000063.db2.gz GEERBWMQHXPFFK-UHFFFAOYSA-N 2 0 266.385 1.753 10 0 CDAERP CCO[C@H](C[NH3+])CN1CCC([NH+]2CCCCC2)CC1 ZINC000062739639 520517894 /nfs/dbraw/zinc/51/78/94/520517894.db2.gz LUQWEMOUQBZOML-OAHLLOKOSA-N 2 0 269.433 1.301 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000055086241 520617703 /nfs/dbraw/zinc/61/77/03/520617703.db2.gz NPAAONVVYDFJIB-STQMWFEESA-N 2 0 255.406 1.352 10 0 CDAERP CC[NH+](CC)CCC[NH2+]CCOCC(F)(F)F ZINC000049310871 520621476 /nfs/dbraw/zinc/62/14/76/520621476.db2.gz OYABPEJEAMYOGL-UHFFFAOYSA-N 2 0 256.312 1.887 10 0 CDAERP CC[NH+](CC)CCC[C@@H](C)[NH2+]CCCC(=O)NC ZINC000068817556 520631009 /nfs/dbraw/zinc/63/10/09/520631009.db2.gz HSATXSDJJKPKLN-CYBMUJFWSA-N 2 0 257.422 1.613 10 0 CDAERP CC[NH+](CC)CCn1cc(NC(=O)CC[C@H](C)[NH3+])cn1 ZINC000070316253 520713083 /nfs/dbraw/zinc/71/30/83/520713083.db2.gz ZTASTAYKOKBOES-LBPRGKRZSA-N 2 0 281.404 1.291 10 0 CDAERP CC[NH+](CC)CCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000052378263 520713675 /nfs/dbraw/zinc/71/36/75/520713675.db2.gz BZPPZOMAJIJKCW-UHFFFAOYSA-N 2 0 253.394 1.508 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(Cc2csc(C[NH2+]C)n2)C1 ZINC000062972395 520847431 /nfs/dbraw/zinc/84/74/31/520847431.db2.gz LGTZZBVPNOJGKI-CYBMUJFWSA-N 2 0 282.457 1.779 10 0 CDAERP CCC(CC)[C@H](CNC(=O)[C@H](C)C[NH2+]C)[NH+]1CCCC1 ZINC000236691347 521616767 /nfs/dbraw/zinc/61/67/67/521616767.db2.gz NQXKYKRJGHUDBH-HIFRSBDPSA-N 2 0 283.460 1.859 10 0 CDAERP CCC(CC)[C@H](CNC(=O)[C@@H](C)C[NH2+]C)[NH+]1CCCC1 ZINC000236689766 521617570 /nfs/dbraw/zinc/61/75/70/521617570.db2.gz NQXKYKRJGHUDBH-ZFWWWQNUSA-N 2 0 283.460 1.859 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@@H]1CCC[C@H](C[NH3+])C1 ZINC000055162759 521653939 /nfs/dbraw/zinc/65/39/39/521653939.db2.gz AZUPACCRLHIKOI-UONOGXRCSA-N 2 0 269.433 1.552 10 0 CDAERP CCCN(CC[NH+](C)C)CC(=O)Nc1ccccc1C[NH3+] ZINC000045664241 521656619 /nfs/dbraw/zinc/65/66/19/521656619.db2.gz PNGMSVVVZBMWRJ-UHFFFAOYSA-N 2 0 292.427 1.357 10 0 CDAERP CCCN(CC[NH+](C)C)Cc1cc(C[NH3+])c(C)o1 ZINC000052544187 521656625 /nfs/dbraw/zinc/65/66/25/521656625.db2.gz LUNHJEYANKDRQU-UHFFFAOYSA-N 2 0 253.390 1.820 10 0 CDAERP C[NH+](C)CCN1CCN(C(=[NH2+])NC2CCCCC2)CC1 ZINC000061652364 521760912 /nfs/dbraw/zinc/76/09/12/521760912.db2.gz LWBVYSZBQGTVOZ-UHFFFAOYSA-N 2 0 281.448 1.023 10 0 CDAERP C[NH+](C)CCOc1ccc(CC[NH3+])cc1Br ZINC000062703785 521800247 /nfs/dbraw/zinc/80/02/47/521800247.db2.gz HNNPXPCPPXIJRM-UHFFFAOYSA-N 2 0 287.201 1.891 10 0 CDAERP CCc1ccccc1[C@H](C[NH3+])N1CC[NH+](CC)CC1 ZINC000052203375 521952850 /nfs/dbraw/zinc/95/28/50/521952850.db2.gz RQHHOLKQHNLYPA-INIZCTEOSA-N 2 0 261.413 1.886 10 0 CDAERP C[NH2+]CC1(CN2CCC[C@@H]2C[NH+](C)C)CCOCC1 ZINC000061653721 521968782 /nfs/dbraw/zinc/96/87/82/521968782.db2.gz QTLCXHRQTYBUQZ-CQSZACIVSA-N 2 0 269.433 1.029 10 0 CDAERP C[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)CCc2ccncc2)O1 ZINC000052483140 522058909 /nfs/dbraw/zinc/05/89/09/522058909.db2.gz QKYDCBRQWWDHSX-LSDHHAIUSA-N 2 0 263.385 1.323 10 0 CDAERP C[NH2+]C[C@@H]1CC[C@@H](C[NH+]2CCN(c3ccccc3)CC2)O1 ZINC000052417345 522059198 /nfs/dbraw/zinc/05/91/98/522059198.db2.gz CPKBMLGFQRSWEK-IRXDYDNUSA-N 2 0 289.423 1.576 10 0 CDAERP C[NH2+]Cc1cc(C[N@H+](CCCOC)CCOC)oc1C ZINC000052543234 522108576 /nfs/dbraw/zinc/10/85/76/522108576.db2.gz GOCHTJXKXXHUSN-UHFFFAOYSA-N 2 0 284.400 1.792 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)C[NH2+][C@@H](C)CC)CC1 ZINC000055078386 522109073 /nfs/dbraw/zinc/10/90/73/522109073.db2.gz XUZBEUFAAVTFQN-QWHCGFSZSA-N 2 0 255.406 1.317 10 0 CDAERP CC[C@H](CC[NH3+])N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000069289777 522127167 /nfs/dbraw/zinc/12/71/67/522127167.db2.gz UQYHIAYPBQKNDK-CQSZACIVSA-N 2 0 269.433 1.301 10 0 CDAERP CC[C@H](CC[NH3+])N1CCC[N@H+](CCCCCO)CC1 ZINC000051020305 522127602 /nfs/dbraw/zinc/12/76/02/522127602.db2.gz JVFJSAHYNQBFPW-OAHLLOKOSA-N 2 0 271.449 1.284 10 0 CDAERP CC[C@@H](C)[NH+]1CCN([C@H](C)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000055074960 522130891 /nfs/dbraw/zinc/13/08/91/522130891.db2.gz OUSHGDBBEZGCOK-OAGGEKHMSA-N 2 0 283.460 1.560 10 0 CDAERP COC[C@@H](C)[N@H+](C)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052182485 522217491 /nfs/dbraw/zinc/21/74/91/522217491.db2.gz LQOVRWXQKZHWIH-CYBMUJFWSA-N 2 0 270.417 1.502 10 0 CDAERP C[NH2+][C@@H]1CCC[C@H]1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062970689 522387329 /nfs/dbraw/zinc/38/73/29/522387329.db2.gz WOUMZNCZWQIINY-HRCADAONSA-N 2 0 265.445 1.935 10 0 CDAERP CN(CCC[NH3+])C(=O)CC[NH+]1CCC(C)(C)CC1 ZINC000061818703 522741454 /nfs/dbraw/zinc/74/14/54/522741454.db2.gz DFEFWOJKMCJREZ-UHFFFAOYSA-N 2 0 255.406 1.306 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000236911476 523173007 /nfs/dbraw/zinc/17/30/07/523173007.db2.gz KVBFLJSDKWHHSS-MGPQQGTHSA-N 2 0 267.417 1.495 10 0 CDAERP CC[C@]1(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC[NH2+]C1 ZINC000062896329 523535076 /nfs/dbraw/zinc/53/50/76/523535076.db2.gz ZUQASPDPEKHHGO-ZBFHGGJFSA-N 2 0 279.428 1.463 10 0 CDAERP COC(=O)[C@@H](CC[NH+]1CCC(C[NH+](C)C)CC1)NC(C)C ZINC000062460613 523572498 /nfs/dbraw/zinc/57/24/98/523572498.db2.gz UUAOPEXEAUIHDH-OAHLLOKOSA-N 2 0 299.459 1.190 10 0 CDAERP COCCN(C)CC[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000061378438 523605144 /nfs/dbraw/zinc/60/51/44/523605144.db2.gz UBDFFIPUSHLYPB-CQSZACIVSA-N 2 0 257.422 1.029 10 0 CDAERP CC[C@@](C)(C[NH2+]C(C)C)CN1CCN(CC[NH+](C)C)CC1 ZINC000061653743 523639742 /nfs/dbraw/zinc/63/97/42/523639742.db2.gz XJMPTYLXJDSNLN-KRWDZBQOSA-N 2 0 298.519 1.580 10 0 CDAERP COCC[N@H+](Cc1cc(C[NH3+])co1)[C@H](C)C1CC1 ZINC000052545398 523740303 /nfs/dbraw/zinc/74/03/03/523740303.db2.gz HICNLBBINOGCHO-LLVKDONJSA-N 2 0 252.358 1.985 10 0 CDAERP C[NH+]1CCN(c2ccc(Cl)cc2C(N)=[NH2+])CC1 ZINC000052859972 523925673 /nfs/dbraw/zinc/92/56/73/523925673.db2.gz QICZFRXBTUHGAI-UHFFFAOYSA-N 2 0 252.749 1.376 10 0 CDAERP CC[C@H](C)[NH+]1CCN(CC[NH2+]C[C@@H]2CCCO2)CC1 ZINC000055075580 523954408 /nfs/dbraw/zinc/95/44/08/523954408.db2.gz AARFJWNHAUNADU-GJZGRUSLSA-N 2 0 269.433 1.171 10 0 CDAERP CC[C@H](C)[NH+]1CCN([C@@]2(C[NH3+])CCSC2)CC1 ZINC000055064664 523958394 /nfs/dbraw/zinc/95/83/94/523958394.db2.gz LBYPIDOEJDTGSM-QWHCGFSZSA-N 2 0 257.447 1.237 10 0 CDAERP C[C@H]1CCC[C@H](C(=O)N(C)C2CC[NH+](C)CC2)[C@@H]1[NH3+] ZINC000055123267 524173636 /nfs/dbraw/zinc/17/36/36/524173636.db2.gz QEJILMXSICFNNH-FPMFFAJLSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@@H]1CCC[C@@H](C(=O)N2CCC(C[NH+](C)C)CC2)[C@@H]1[NH3+] ZINC000055134924 524265347 /nfs/dbraw/zinc/26/53/47/524265347.db2.gz MTOINQSDVKQALD-BPLDGKMQSA-N 2 0 281.444 1.550 10 0 CDAERP C[C@@H](CC[NH+](C)C)NC(=O)[C@H]1C[C@@H]([NH3+])CC[C@@H]1C ZINC000055140862 524472362 /nfs/dbraw/zinc/47/23/62/524472362.db2.gz MVSWLJFKEQFLCL-CYDGBPFRSA-N 2 0 255.406 1.206 10 0 CDAERP C[C@@H]1CC[C@@H]([NH3+])C[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC000055138659 524602165 /nfs/dbraw/zinc/60/21/65/524602165.db2.gz ONIYERYWOCCIHH-MQYQWHSLSA-N 2 0 267.417 1.350 10 0 CDAERP C[C@@H](CNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+])[NH+]1CCCCC1 ZINC000055135341 524655155 /nfs/dbraw/zinc/65/51/55/524655155.db2.gz NFMSSVZOKFHVRR-KKUMJFAQSA-N 2 0 281.444 1.885 10 0 CDAERP C[C@@]([NH3+])(C(=O)NC1CCC([NH3+])CC1)c1ccccc1 ZINC000052883158 525746526 /nfs/dbraw/zinc/74/65/26/525746526.db2.gz TXUWPHZIUBVETP-PIMMBPRGSA-N 2 0 261.369 1.247 10 0 CDAERP Cc1ccc([C@@H]([C@H](C)[NH3+])N2CCN(CC[NH+](C)C)CC2)o1 ZINC000061642333 525785375 /nfs/dbraw/zinc/78/53/75/525785375.db2.gz LMKAXHSCCMHKHB-GOEBONIOSA-N 2 0 294.443 1.156 10 0 CDAERP Cc1ccc(C(N)=[NH2+])c(N2CC[C@H]([NH+]3CCCC3)C2)n1 ZINC000062980587 526012660 /nfs/dbraw/zinc/01/26/60/526012660.db2.gz FYDGSNISLILVGS-LBPRGKRZSA-N 2 0 273.384 1.349 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H](C[NH3+])C1CCCC1)[C@H](C)[NH3+] ZINC000423966442 534908061 /nfs/dbraw/zinc/90/80/61/534908061.db2.gz RXAOXBUYRDKUSD-UHTWSYAYSA-N 2 0 255.406 1.240 10 0 CDAERP Cc1nocc1C[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000339242029 526690289 /nfs/dbraw/zinc/69/02/89/526690289.db2.gz ZKESDFRVWSOTCA-UHFFFAOYSA-N 2 0 280.416 1.346 10 0 CDAERP Cc1oc(C[NH3+])cc1CN1CCC([NH+](C)C)CC1 ZINC000052477694 526769074 /nfs/dbraw/zinc/76/90/74/526769074.db2.gz SLFDVDCADSFHDV-UHFFFAOYSA-N 2 0 251.374 1.573 10 0 CDAERP [NH3+]Cc1ncccc1C[N@H+](CCO)C1CCCCC1 ZINC000061656803 527265735 /nfs/dbraw/zinc/26/57/35/527265735.db2.gz GXRRIBISDQBCSE-UHFFFAOYSA-N 2 0 263.385 1.667 10 0 CDAERP OC1(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)CC[NH2+]CC1 ZINC000051016009 527506475 /nfs/dbraw/zinc/50/64/75/527506475.db2.gz ACMITIVCIIFAPM-KGLIPLIRSA-N 2 0 252.402 1.756 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+]1CCCC[C@@H]1C ZINC000104145029 535497404 /nfs/dbraw/zinc/49/74/04/535497404.db2.gz GMJDFKMNZUXBLI-GJZGRUSLSA-N 2 0 281.444 1.851 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000436311733 535564719 /nfs/dbraw/zinc/56/47/19/535564719.db2.gz URQOSUHFRCNPRZ-CBBWQLFWSA-N 2 0 280.412 1.935 10 0 CDAERP CC[C@@H](C)[C@@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261824071 535654512 /nfs/dbraw/zinc/65/45/12/535654512.db2.gz SNIJICLZVBMCGE-DMRZNYOFSA-N 2 0 289.423 1.561 10 0 CDAERP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000252451511 535845998 /nfs/dbraw/zinc/84/59/98/535845998.db2.gz PCMTWLVEDHISJU-RWMBFGLXSA-N 2 0 253.390 1.057 10 0 CDAERP COC(=O)[C@@H](C)[C@@H]([NH2+]CCC[NH3+])c1ccccc1 ZINC000420363606 536443170 /nfs/dbraw/zinc/44/31/70/536443170.db2.gz BPWYXWHPFKXWEY-WCQYABFASA-N 2 0 250.342 1.475 10 0 CDAERP CC[N@H+](C)[C@H]1CCN(C(=O)N[C@@H](C)C2=CC[NH+](C)CC2)C1 ZINC001680009101 1174520138 /nfs/dbraw/zinc/52/01/38/1174520138.db2.gz KJQLHVHKJCRRAI-ZFWWWQNUSA-N 2 0 294.443 1.372 10 0 CDAERP Cc1nn(C)c2sc([C@H]3C[NH2+]C[C@H](C[NH3+])C3)cc12 ZINC000757216004 574907943 /nfs/dbraw/zinc/90/79/43/574907943.db2.gz OVHZCGRPNQCXRF-VHSXEESVSA-N 2 0 264.398 1.595 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001688897624 1175059754 /nfs/dbraw/zinc/05/97/54/1175059754.db2.gz ZSIQONHDZDCWFQ-APHBUQMISA-N 2 0 293.455 1.971 10 0 CDAERP C[NH+](C)C1(CNC(=O)[C@@H]2CCCC[C@H]2[NH3+])CCCC1 ZINC000125657049 1175402795 /nfs/dbraw/zinc/40/27/95/1175402795.db2.gz YKELAEQGBNUDIS-CHWSQXEVSA-N 2 0 267.417 1.495 10 0 CDAERP CC[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC)[NH+](C)C ZINC001690307831 1175433048 /nfs/dbraw/zinc/43/30/48/1175433048.db2.gz QDBNHEZMEIMOMU-WTUNAVPPSA-N 2 0 267.417 1.458 10 0 CDAERP CC(C)[NH+](CCN[C@@H]1CC[NH2+]C12CCC2)C(C)C ZINC000925509407 617404400 /nfs/dbraw/zinc/40/44/00/617404400.db2.gz MZKYYIDBLXITLH-CQSZACIVSA-N 2 0 253.434 1.979 10 0 CDAERP COCCOCCC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925518798 617429590 /nfs/dbraw/zinc/42/95/90/617429590.db2.gz KFRSBDLWTQJEAT-HZPDHXFCSA-N 2 0 284.444 1.797 10 0 CDAERP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)c1cnn(C)c1 ZINC000925519460 617429907 /nfs/dbraw/zinc/42/99/07/617429907.db2.gz CSAXFNBYFWWBOF-DRZSPHRISA-N 2 0 250.390 1.977 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCOC[C@H]2CCOC2)C1 ZINC000925568930 617517466 /nfs/dbraw/zinc/51/74/66/617517466.db2.gz YLZXYDYVQBERPX-BFHYXJOUSA-N 2 0 270.417 1.535 10 0 CDAERP CC1(C)CCC[N@@H+]1CCN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925683952 617666766 /nfs/dbraw/zinc/66/67/66/617666766.db2.gz BRVSHFXSRWSOAQ-STQMWFEESA-N 2 0 251.418 1.720 10 0 CDAERP CC1(C)C[C@@H]([NH2+]CCS(=O)(=O)C2CC2)C[C@@H]([NH3+])C1 ZINC000925691206 617695183 /nfs/dbraw/zinc/69/51/83/617695183.db2.gz NLAFJQKXANKMBM-MNOVXSKESA-N 2 0 274.430 1.059 10 0 CDAERP COc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc1O ZINC000925787238 617711596 /nfs/dbraw/zinc/71/15/96/617711596.db2.gz XUAFMOLYKXFHLT-WZRBSPASSA-N 2 0 264.369 1.907 10 0 CDAERP CCn1ccnc1[C@H](C)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925804035 617740514 /nfs/dbraw/zinc/74/05/14/617740514.db2.gz YDQVUNADFXPEIU-FRRDWIJNSA-N 2 0 250.390 1.799 10 0 CDAERP C[C@H](CCC[NH3+])[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925713925 617819036 /nfs/dbraw/zinc/81/90/36/617819036.db2.gz ZIPYQNSHZZOKFA-VHDGCEQUSA-N 3 0 253.434 1.872 10 0 CDAERP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000925832186 617853368 /nfs/dbraw/zinc/85/33/68/617853368.db2.gz QZZQNAAUOMQGKX-RMEBNNNOSA-N 2 0 250.386 1.555 10 0 CDAERP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@]1(C(F)(F)F)CCCN1 ZINC000925856593 617894987 /nfs/dbraw/zinc/89/49/87/617894987.db2.gz RHAIEWGWSPOFMI-IJLUTSLNSA-N 2 0 279.350 1.649 10 0 CDAERP C[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@@H]([NH2+]2)[C@H]1C)C1CC[NH2+]CC1 ZINC000925726946 617969345 /nfs/dbraw/zinc/96/93/45/617969345.db2.gz ARPHPXBGJWZKDJ-ZVJHWVFESA-N 3 0 251.418 1.493 10 0 CDAERP CC[C@@H]([NH3+])CNC(=O)C[C@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000841852075 618362815 /nfs/dbraw/zinc/36/28/15/618362815.db2.gz CLLPVKBGJZKRJK-MNOVXSKESA-N 2 0 284.791 1.287 10 0 CDAERP C[C@H]1[C@@H](NC(=O)c2cnn(-c3ccncc3)c2)CC[N@@H+]1C ZINC000928438384 619081179 /nfs/dbraw/zinc/08/11/79/619081179.db2.gz ZPSBEWFWLXIXRQ-FZMZJTMJSA-N 2 0 285.351 1.090 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1COCC1(C)C ZINC000895238403 619479118 /nfs/dbraw/zinc/47/91/18/619479118.db2.gz XNJJTQVEJUFSHF-UONOGXRCSA-N 2 0 271.449 1.273 10 0 CDAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C[C@@H]1CC(C)(C)CO1 ZINC000896682208 620191356 /nfs/dbraw/zinc/19/13/56/620191356.db2.gz RWRASRZQOFLYNV-CQSZACIVSA-N 2 0 299.459 1.143 10 0 CDAERP COC[C@H](CCO)[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000902814829 625468073 /nfs/dbraw/zinc/46/80/73/625468073.db2.gz QVCRYYBPBOGOCN-ZFWWWQNUSA-N 2 0 289.379 1.920 10 0 CDAERP c1nn(-c2ccccc2)nc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000841037797 621313498 /nfs/dbraw/zinc/31/34/98/621313498.db2.gz XQOYVKYEBJPTRB-ZDUSSCGKSA-N 2 0 271.368 1.357 10 0 CDAERP CC(C)[C@@H](CNC(=[NH2+])N[C@@H](C)C1CC1)N1CC[NH+](C)CC1 ZINC000899266912 622127719 /nfs/dbraw/zinc/12/77/19/622127719.db2.gz ZAWCDTAGTKNLPB-DZGCQCFKSA-N 2 0 295.475 1.171 10 0 CDAERP Cn1ncc(-c2ccc(C[NH+](C)C)c(F)c2)c1C[NH3+] ZINC000899323304 622174189 /nfs/dbraw/zinc/17/41/89/622174189.db2.gz GMJLMSSROYCNKU-UHFFFAOYSA-N 2 0 262.332 1.747 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)[NH+](C)C ZINC000901232039 624022559 /nfs/dbraw/zinc/02/25/59/624022559.db2.gz ACORKRMMPCTGRR-JYJNAYRXSA-N 2 0 289.423 1.888 10 0 CDAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902466804 624859133 /nfs/dbraw/zinc/85/91/33/624859133.db2.gz MXUCVXJVEVLBER-YXROGFHTSA-N 2 0 299.418 1.725 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]C2CC(CC(N)=O)C2)CC1(C)C ZINC000903252720 625930236 /nfs/dbraw/zinc/93/02/36/625930236.db2.gz HHOMMVJQKJRZRP-MOENNCHZSA-N 2 0 253.390 1.103 10 0 CDAERP CC(C)[C@@H](C)NC(=O)C1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903435458 625991132 /nfs/dbraw/zinc/99/11/32/625991132.db2.gz URTQTZLMCXDMFP-FMKPAKJESA-N 2 0 295.471 1.987 10 0 CDAERP CCO[C@H]1C[C@H](O)C12CC[NH+](C[C@@H]1CC[C@H]([NH3+])C1)CC2 ZINC000903440090 625992529 /nfs/dbraw/zinc/99/25/29/625992529.db2.gz SDSACHIEOKPTMS-QPSCCSFWSA-N 2 0 282.428 1.366 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000903459152 625994390 /nfs/dbraw/zinc/99/43/90/625994390.db2.gz QWKNRPWJVSOWFC-HZSPNIEDSA-N 2 0 252.402 1.781 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCS[C@H]3COCC[C@@H]32)C1 ZINC000903460654 625996040 /nfs/dbraw/zinc/99/60/40/625996040.db2.gz GZAIURNPSKDGEE-RNJOBUHISA-N 2 0 256.415 1.320 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000903444266 625998116 /nfs/dbraw/zinc/99/81/16/625998116.db2.gz RJYSUJUFBKNKCB-KFWWJZLASA-N 2 0 251.418 1.260 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000903446464 625999308 /nfs/dbraw/zinc/99/93/08/625999308.db2.gz WZXFUQZITJATOF-CBBWQLFWSA-N 2 0 251.418 1.306 10 0 CDAERP CO[C@@H]1CC[C@H]2OCCN(C[C@@H]3C[NH2+]C[C@H]3C)[C@H]2C1 ZINC000903456287 626002395 /nfs/dbraw/zinc/00/23/95/626002395.db2.gz FSVITCYNOJDQSU-QKGCVVFFSA-N 2 0 268.401 1.110 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)C1 ZINC000903457231 626002522 /nfs/dbraw/zinc/00/25/22/626002522.db2.gz ORFNDYQKUOLHSI-FQUUOJAGSA-N 2 0 265.401 1.104 10 0 CDAERP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)CC1 ZINC000903498285 626008537 /nfs/dbraw/zinc/00/85/37/626008537.db2.gz BWVDIOXDSUHHKH-IAGOWNOFSA-N 3 0 296.503 1.319 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC1CC=CC1)C2 ZINC000903494685 626011484 /nfs/dbraw/zinc/01/14/84/626011484.db2.gz KQMSNBZRVDCCSJ-GUTXKFCHSA-N 2 0 264.369 1.165 10 0 CDAERP CC(C)OCCCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903509079 626012603 /nfs/dbraw/zinc/01/26/03/626012603.db2.gz AQZSEZZJECCFRH-CALCHBBNSA-N 2 0 295.471 1.702 10 0 CDAERP [NH3+][C@@H]1CN(CC[C@H]2CC[NH2+]C2)CC[C@H]1C(F)(F)F ZINC000903539453 626016024 /nfs/dbraw/zinc/01/60/24/626016024.db2.gz IQSRSWSWUSNMKW-GMTAPVOTSA-N 2 0 265.323 1.198 10 0 CDAERP C[C@]1([C@@H]2CCC[N@H+](C[C@@H]3CC[C@H]([NH3+])C3)C2)COC(=O)N1 ZINC000903561819 626019569 /nfs/dbraw/zinc/01/95/69/626019569.db2.gz NFAFBBQBNMNGDO-GUIRCDHDSA-N 2 0 281.400 1.324 10 0 CDAERP C[NH2+]CCCN1C[C@@H](C[NH3+])Cc2cc(F)ccc21 ZINC000903569517 626027848 /nfs/dbraw/zinc/02/78/48/626027848.db2.gz ZOBHKCHBUIFARE-LLVKDONJSA-N 2 0 251.349 1.373 10 0 CDAERP COCCN(CC(F)F)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903891090 626125182 /nfs/dbraw/zinc/12/51/82/626125182.db2.gz JFCMTVZJLUDUDJ-YOGCLGLASA-N 2 0 262.344 1.731 10 0 CDAERP CC[N@H+](CC(C)C)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903885629 626132890 /nfs/dbraw/zinc/13/28/90/626132890.db2.gz NSPRZBUGABKXCK-CQSZACIVSA-N 2 0 266.433 1.824 10 0 CDAERP CCOC(=O)C[N@H+](CC)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903885852 626133451 /nfs/dbraw/zinc/13/34/51/626133451.db2.gz KONWMUHMKZAORZ-YHWZYXNKSA-N 2 0 254.374 1.402 10 0 CDAERP CCC(C)(C)[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903897452 626136881 /nfs/dbraw/zinc/13/68/81/626136881.db2.gz DSVAUYOIRDBVDQ-LLVKDONJSA-N 2 0 251.378 1.481 10 0 CDAERP COC(=O)[C@H]1C[C@H](C)CC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903915637 626138769 /nfs/dbraw/zinc/13/87/69/626138769.db2.gz OZZHSAPEEFWDFW-VAQLIOGMSA-N 2 0 280.412 1.791 10 0 CDAERP CCC1([NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)CCC1 ZINC000903901951 626138997 /nfs/dbraw/zinc/13/89/97/626138997.db2.gz BMRQXJQKPDQOBY-LBPRGKRZSA-N 2 0 263.389 1.625 10 0 CDAERP C[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCC[NH2+]C1 ZINC000903918310 626157738 /nfs/dbraw/zinc/15/77/38/626157738.db2.gz WOZGHEKJEDGHBH-AGIDCKOXSA-N 3 0 251.418 1.495 10 0 CDAERP C1=C(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)COCC1 ZINC000903959246 626158860 /nfs/dbraw/zinc/15/88/60/626158860.db2.gz CTFKETJRZORQFG-HNNXBMFYSA-N 2 0 250.386 1.799 10 0 CDAERP Cc1nc([C@@H]2CC[N@@H+](C[C@H]3CC[NH2+][C@@H](C)C3)C2)no1 ZINC000903979088 626170313 /nfs/dbraw/zinc/17/03/13/626170313.db2.gz VDRWQBNZCYJIQY-WCFLWFBJSA-N 2 0 264.373 1.555 10 0 CDAERP c1[nH]c(-c2ccccc2)nc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000904397882 626287589 /nfs/dbraw/zinc/28/75/89/626287589.db2.gz JRLASUZBJVIMLH-UHFFFAOYSA-N 2 0 285.395 1.072 10 0 CDAERP C(C[C@H]1CC[NH2+]C1)c1nc(CC2CC[NH2+]CC2)no1 ZINC000905312832 626743598 /nfs/dbraw/zinc/74/35/98/626743598.db2.gz FBTBDSRMDYCYKW-LBPRGKRZSA-N 2 0 264.373 1.154 10 0 CDAERP CC1(C)C[NH2+]C[C@H]1c1nc(CC2CC[NH2+]CC2)no1 ZINC000905309190 626758995 /nfs/dbraw/zinc/75/89/95/626758995.db2.gz VKRZEKCSNLZWOL-NSHDSACASA-N 2 0 264.373 1.325 10 0 CDAERP CN(C)c1cc(N2CCC[C@@H]3C[NH2+]CC[C@@H]32)ncn1 ZINC000906093176 627115324 /nfs/dbraw/zinc/11/53/24/627115324.db2.gz CUFXCMRKZOVVDF-NEPJUHHUSA-N 2 0 261.373 1.121 10 0 CDAERP CN(C)c1cc(N2CCC[C@@H]3C[NH2+]CC[C@H]32)ncn1 ZINC000906093179 627115500 /nfs/dbraw/zinc/11/55/00/627115500.db2.gz CUFXCMRKZOVVDF-VXGBXAGGSA-N 2 0 261.373 1.121 10 0 CDAERP C[N@H+](Cc1ccccc1)C1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000908119595 628028990 /nfs/dbraw/zinc/02/89/90/628028990.db2.gz QJDUDIRAFULVDI-UHFFFAOYSA-N 2 0 299.418 1.425 10 0 CDAERP C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000912802629 630224708 /nfs/dbraw/zinc/22/47/08/630224708.db2.gz FFONZRGCNAADBL-OAGGEKHMSA-N 2 0 295.471 1.907 10 0 CDAERP C[N@@H+]1CC[C@H]1CNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000925398941 630747847 /nfs/dbraw/zinc/74/78/47/630747847.db2.gz ITOKXFBDGSCRCA-HNNXBMFYSA-N 2 0 294.443 1.208 10 0 CDAERP C[C@H]1[C@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)CC[N@@H+]1C ZINC000914247589 631287475 /nfs/dbraw/zinc/28/74/75/631287475.db2.gz IQVJJJPFFHKVKX-SWLSCSKDSA-N 2 0 294.443 1.253 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001691159065 1158939016 /nfs/dbraw/zinc/93/90/16/1158939016.db2.gz WNWFOEJMBMNFEB-MGPQQGTHSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001690340790 1175444038 /nfs/dbraw/zinc/44/40/38/1175444038.db2.gz DCISHQQPXHWXCG-OKILXGFUSA-N 2 0 279.428 1.674 10 0 CDAERP c1ccc(C[C@@H]2CC[N@@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)C2)cc1 ZINC001772526442 1158638974 /nfs/dbraw/zinc/63/89/74/1158638974.db2.gz IIUPGZYBRJPDPU-IRXDYDNUSA-N 2 0 286.419 1.930 10 0 CDAERP c1ccc(C[C@H]2CC[N@@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)C2)cc1 ZINC001772526443 1158639248 /nfs/dbraw/zinc/63/92/48/1158639248.db2.gz IIUPGZYBRJPDPU-SJORKVTESA-N 2 0 286.419 1.930 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCCF)C2)CC[N@@H+]1C ZINC001691146672 1158932735 /nfs/dbraw/zinc/93/27/35/1158932735.db2.gz BRTMMSGPJXEOLC-ZQDZILKHSA-N 2 0 299.434 1.561 10 0 CDAERP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)C[NH2+]CCCF ZINC001732366807 1159785670 /nfs/dbraw/zinc/78/56/70/1159785670.db2.gz RLICCKUTHIQXRW-ZDUSSCGKSA-N 2 0 287.423 1.420 10 0 CDAERP CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+][C@H](C)COC ZINC001481838745 1159948980 /nfs/dbraw/zinc/94/89/80/1159948980.db2.gz GRVLMZKBSRXVNJ-ZIAGYGMSSA-N 2 0 299.459 1.380 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=[NH2+])NCCC2CC2)C1 ZINC000864455042 1164545083 /nfs/dbraw/zinc/54/50/83/1164545083.db2.gz DPJPPOHXRGFAKK-CYBMUJFWSA-N 2 0 252.406 1.631 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC2([NH+](C)C)CC2)C1 ZINC001639435562 1166937876 /nfs/dbraw/zinc/93/78/76/1166937876.db2.gz GTCRVCZKLHYURE-OLZOCXBDSA-N 2 0 267.417 1.317 10 0 CDAERP C[NH+](C)C1(C)CC[NH+](CC23CC(C)(C2)OC3)CC1 ZINC001644175919 1167298597 /nfs/dbraw/zinc/29/85/97/1167298597.db2.gz BKHWJDNWMDLOOS-UHFFFAOYSA-N 2 0 252.402 1.972 10 0 CDAERP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC001647283681 1168522740 /nfs/dbraw/zinc/52/27/40/1168522740.db2.gz YHPCRDRDQVWMHA-RRFJBIMHSA-N 2 0 281.444 1.741 10 0 CDAERP CC(C)=CC[NH+]1CC(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001567831973 1169003690 /nfs/dbraw/zinc/00/36/90/1169003690.db2.gz GPBYVIADSFLZQE-UHFFFAOYSA-N 2 0 279.428 1.485 10 0 CDAERP CCOCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001568368399 1169261768 /nfs/dbraw/zinc/26/17/68/1169261768.db2.gz MGLQVMHXRMAUOQ-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@H](C)C[NH2+]C/C=C\CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001568851353 1169518395 /nfs/dbraw/zinc/51/83/95/1169518395.db2.gz BZSFUGNMMXHTCG-KBSCQGNFSA-N 2 0 293.455 1.636 10 0 CDAERP CC[NH2+]C/C=C\CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001568893796 1169536435 /nfs/dbraw/zinc/53/64/35/1169536435.db2.gz OUSHGBMEMNYRKL-FPLPWBNLSA-N 2 0 281.444 1.923 10 0 CDAERP C[NH+]1CCC(CC(=O)NC/C=C/C[NH2+]CCCF)CC1 ZINC001568930567 1169553194 /nfs/dbraw/zinc/55/31/94/1169553194.db2.gz JNSYKFGBYGLIRP-NSCUHMNNSA-N 2 0 285.407 1.340 10 0 CDAERP CC(C)[NH2+]CC1CC(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001570570810 1170193015 /nfs/dbraw/zinc/19/30/15/1170193015.db2.gz OUTSPFFTYAZRTJ-UHFFFAOYSA-N 2 0 267.417 1.221 10 0 CDAERP CCCC[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001570611102 1170210494 /nfs/dbraw/zinc/21/04/94/1170210494.db2.gz OIEBJWNWBKFESL-STQMWFEESA-N 2 0 269.433 1.754 10 0 CDAERP CC/C=C\CC[N@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001663185441 1172653969 /nfs/dbraw/zinc/65/39/69/1172653969.db2.gz XMUWNBHTXVTZED-YIEVGGLXSA-N 2 0 293.455 1.733 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@@H](C)CC[NH+](C)C)CC1 ZINC001583201732 1172746020 /nfs/dbraw/zinc/74/60/20/1172746020.db2.gz FORNSJWCLWOEGZ-ZDUSSCGKSA-N 2 0 269.433 1.422 10 0 CDAERP C[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)C[NH2+]CCF ZINC001666673028 1173169276 /nfs/dbraw/zinc/16/92/76/1173169276.db2.gz MTXYACKHZVVLFT-ZDUSSCGKSA-N 2 0 295.402 1.673 10 0 CDAERP C[C@H](F)CC[NH2+]CC1CC(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001674578614 1173964622 /nfs/dbraw/zinc/96/46/22/1173964622.db2.gz HPVBVQCVDZMJGR-OPFPJEHXSA-N 2 0 299.434 1.561 10 0 CDAERP CC[NH2+][C@@H](C)[C@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001674781338 1174010292 /nfs/dbraw/zinc/01/02/92/1174010292.db2.gz WBELEANHHUJBNC-KBPBESRZSA-N 2 0 269.433 1.755 10 0 CDAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1C[C@H](C[NH2+]CCCF)C1 ZINC001675832790 1174152387 /nfs/dbraw/zinc/15/23/87/1174152387.db2.gz YXKZMTQCDNVSKZ-AJNGGQMLSA-N 2 0 299.434 1.703 10 0 CDAERP CC[C@H](C(=O)NCC1=CC[N@H+](CC[C@@H](C)F)CC1)[NH+](C)C ZINC001677574981 1174374844 /nfs/dbraw/zinc/37/48/44/1174374844.db2.gz OVWNPQIVJYLTNG-UKRRQHHQSA-N 2 0 299.434 1.823 10 0 CDAERP CC[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CCCF ZINC001698608343 1175478682 /nfs/dbraw/zinc/47/86/82/1175478682.db2.gz IOXQKINFRKRVKG-ZDUSSCGKSA-N 2 0 287.423 1.705 10 0 CDAERP CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001690713798 1175554331 /nfs/dbraw/zinc/55/43/31/1175554331.db2.gz XLDQOXOJRVACDL-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)=CC[NH2+][C@@H]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001691913366 1175650202 /nfs/dbraw/zinc/65/02/02/1175650202.db2.gz JQFJSNNPNRZLOJ-LSDHHAIUSA-N 2 0 281.444 1.779 10 0 CDAERP C[NH+]1CCC(C(=O)N[C@@](C)(C[NH2+]CCF)C2CC2)CC1 ZINC001698676281 1175892717 /nfs/dbraw/zinc/89/27/17/1175892717.db2.gz OUFJMKMTMASFJG-HNNXBMFYSA-N 2 0 285.407 1.172 10 0 CDAERP C[C@H](C[NH2+]CCC1CC1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001698841945 1175959175 /nfs/dbraw/zinc/95/91/75/1175959175.db2.gz XQLOUEZGLKKAFB-CYBMUJFWSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CCCF ZINC001698971993 1176001349 /nfs/dbraw/zinc/00/13/49/1176001349.db2.gz LTQLESZSTVJBGJ-KBPBESRZSA-N 2 0 287.423 1.418 10 0 CDAERP CC[C@H](F)C[NH2+]C/C=C/CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001699257849 1176182552 /nfs/dbraw/zinc/18/25/52/1176182552.db2.gz FCBCFXITZZYWOA-WCYDHSITSA-N 2 0 297.418 1.338 10 0 CDAERP CC[C@@H](C(=O)NCC1([NH2+]C(C)C)CC1)[NH+](CC)CC ZINC001699662058 1176557352 /nfs/dbraw/zinc/55/73/52/1176557352.db2.gz DKFSPDQWBSWVAJ-ZDUSSCGKSA-N 2 0 269.433 1.754 10 0 CDAERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C[NH2+]CCF ZINC001699974098 1176703517 /nfs/dbraw/zinc/70/35/17/1176703517.db2.gz YEAXHCVAFWGTOZ-UONOGXRCSA-N 2 0 287.423 1.372 10 0 CDAERP CC(C)[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001700086581 1176742500 /nfs/dbraw/zinc/74/25/00/1176742500.db2.gz BMVHWGCZNVWZDY-KBPBESRZSA-N 2 0 267.417 1.175 10 0 CDAERP CC[NH2+]C1(C)CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001700281979 1176830656 /nfs/dbraw/zinc/83/06/56/1176830656.db2.gz KWAODVWWMCTMCE-UHFFFAOYSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001700472104 1176959765 /nfs/dbraw/zinc/95/97/65/1176959765.db2.gz XZHIECDTESAJFJ-UONOGXRCSA-N 2 0 269.433 1.563 10 0 CDAERP CC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001700507041 1176985819 /nfs/dbraw/zinc/98/58/19/1176985819.db2.gz OJQMYFALRNZVOA-ZIAGYGMSSA-N 2 0 269.433 1.421 10 0 CDAERP CCCC[C@@H](C[NH2+]CCC)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001700523094 1176995712 /nfs/dbraw/zinc/99/57/12/1176995712.db2.gz XTQGBUHGGYLMNR-KGLIPLIRSA-N 2 0 269.433 1.613 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCCF)C2)CC[N@@H+]1C ZINC001700638902 1177050470 /nfs/dbraw/zinc/05/04/70/1177050470.db2.gz KFAUWRXZQZSROO-AJNGGQMLSA-N 2 0 299.434 1.561 10 0 CDAERP CC(C)=CC[N@@H+](C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001700697580 1177080740 /nfs/dbraw/zinc/08/07/40/1177080740.db2.gz BLRPQKUOJBWTGM-UHFFFAOYSA-N 2 0 293.455 1.971 10 0 CDAERP COCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]1C ZINC001700822743 1177151037 /nfs/dbraw/zinc/15/10/37/1177151037.db2.gz KMHYCPIRCXTKFG-UONOGXRCSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CCCF)C(C)(C)C1 ZINC001700926594 1177196987 /nfs/dbraw/zinc/19/69/87/1177196987.db2.gz NRGITWGQLLECBC-CYBMUJFWSA-N 2 0 287.423 1.513 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001707092180 1177949534 /nfs/dbraw/zinc/94/95/34/1177949534.db2.gz STTUWELDJXPDJP-HDJSIYSDSA-N 2 0 281.444 1.755 10 0 CDAERP C[N@H+](CCCNC(=O)[C@@]12CC[NH+](C1)CCC2)CC1CC1 ZINC001712985782 1178287511 /nfs/dbraw/zinc/28/75/11/1178287511.db2.gz IPXHBMHYKONONU-INIZCTEOSA-N 2 0 279.428 1.320 10 0 CDAERP CC[N@H+](C)CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001712990515 1178290110 /nfs/dbraw/zinc/29/01/10/1178290110.db2.gz BKAXVMWCCKIQRT-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CCCC[NH2+][C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001713108943 1178371805 /nfs/dbraw/zinc/37/18/05/1178371805.db2.gz OHBDSSGFLRUQMD-JKSUJKDBSA-N 2 0 293.455 1.613 10 0 CDAERP CC/C=C/CC[NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001713205572 1178431218 /nfs/dbraw/zinc/43/12/18/1178431218.db2.gz OFEXGVCCIYQKDG-MRINAFOASA-N 2 0 291.439 1.675 10 0 CDAERP CC(C)CCC[NH2+][C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001713311087 1178488646 /nfs/dbraw/zinc/48/86/46/1178488646.db2.gz INHIUWWKLGWPOH-GOEBONIOSA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001713824424 1178776870 /nfs/dbraw/zinc/77/68/70/1178776870.db2.gz GVWOUYDNBUVFGU-ZIAGYGMSSA-N 2 0 267.417 1.460 10 0 CDAERP CC/C=C/CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001713966027 1178899315 /nfs/dbraw/zinc/89/93/15/1178899315.db2.gz GRWMISNKSXVSLG-PINBIDLJSA-N 2 0 279.428 1.531 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001713985800 1178909299 /nfs/dbraw/zinc/90/92/99/1178909299.db2.gz NJONGXZZTGRNDL-CQSZACIVSA-N 2 0 269.433 1.563 10 0 CDAERP CCOCC[NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCCC1 ZINC001714151044 1178993124 /nfs/dbraw/zinc/99/31/24/1178993124.db2.gz KSIZYEMZRZYVAZ-UHFFFAOYSA-N 2 0 297.443 1.137 10 0 CDAERP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC1=CCCCC1 ZINC001714499109 1179172738 /nfs/dbraw/zinc/17/27/38/1179172738.db2.gz ILOOUMPGRXTEFC-GDBMZVCRSA-N 2 0 293.455 1.923 10 0 CDAERP COCC[N@@H+]1CCC[C@@H]1CCCNC(=O)C[NH+]1CCCC1 ZINC001714538563 1179193893 /nfs/dbraw/zinc/19/38/93/1179193893.db2.gz FLCMOPKZZSRTJB-HNNXBMFYSA-N 2 0 297.443 1.089 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001714657729 1179303492 /nfs/dbraw/zinc/30/34/92/1179303492.db2.gz VQJHJSDZOMQJOD-AWEZNQCLSA-N 2 0 281.444 1.873 10 0 CDAERP CC[C@H](F)C[NH2+]CCN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001714713583 1179352437 /nfs/dbraw/zinc/35/24/37/1179352437.db2.gz BQXGBTCMRDGCME-LBPRGKRZSA-N 2 0 273.396 1.267 10 0 CDAERP CN(CC[NH2+]CCC1CCCC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001714781989 1179394087 /nfs/dbraw/zinc/39/40/87/1179394087.db2.gz ZZZIDHJYWNNGMG-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)C[NH2+]CCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001714797602 1179402568 /nfs/dbraw/zinc/40/25/68/1179402568.db2.gz LOWUIHBYCZXHGF-UHFFFAOYSA-N 2 0 269.433 1.566 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001715031026 1179518559 /nfs/dbraw/zinc/51/85/59/1179518559.db2.gz LVVSYMOEJSULAD-APHBUQMISA-N 2 0 293.455 1.971 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCCF)[C@H](C)C1 ZINC001715096743 1179550793 /nfs/dbraw/zinc/55/07/93/1179550793.db2.gz HISXSBZFTMGWFF-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP CC[C@@H](C(=O)N[C@@](C)(C[NH2+]CCF)C1CC1)[NH+](C)C ZINC001715114502 1179551826 /nfs/dbraw/zinc/55/18/26/1179551826.db2.gz CHYOCMFMYZDHRP-JSGCOSHPSA-N 2 0 273.396 1.171 10 0 CDAERP C[C@H](C[NH2+]CCC1CCCC1)N(C)C(=O)CC[NH+](C)C ZINC001715352673 1179637819 /nfs/dbraw/zinc/63/78/19/1179637819.db2.gz ILWGZGOOBRVILI-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP CCCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001715605856 1179731419 /nfs/dbraw/zinc/73/14/19/1179731419.db2.gz QFBRJOMRJZENEZ-HUUCEWRRSA-N 2 0 299.459 1.116 10 0 CDAERP Cc1cccnc1C[NH2+]CC[C@H](C)NC(=O)CC[NH+](C)C ZINC001715678807 1179761092 /nfs/dbraw/zinc/76/10/92/1179761092.db2.gz MPHWZVMCAGBJNJ-AWEZNQCLSA-N 2 0 292.427 1.326 10 0 CDAERP CC(C)CC[NH2+]C/C=C\CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001715874186 1179890372 /nfs/dbraw/zinc/89/03/72/1179890372.db2.gz OIECDHPVZUXOIH-XVWMLYKFSA-N 2 0 281.444 1.636 10 0 CDAERP CCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001715928737 1179923102 /nfs/dbraw/zinc/92/31/02/1179923102.db2.gz XAFPKMVQHFRIOY-OLZOCXBDSA-N 2 0 255.406 1.364 10 0 CDAERP CC[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001716008844 1179980000 /nfs/dbraw/zinc/98/00/00/1179980000.db2.gz KRDLSKJYDLJHSA-QWHCGFSZSA-N 2 0 255.406 1.221 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001716008907 1179980204 /nfs/dbraw/zinc/98/02/04/1179980204.db2.gz IXNGFGDGSQNQDT-ZDUSSCGKSA-N 2 0 253.390 1.143 10 0 CDAERP C[C@@H](CC[NH2+]CC1CC(C)(C)C1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001716196575 1180092145 /nfs/dbraw/zinc/09/21/45/1180092145.db2.gz SXHKKAJFNQSJML-ZFWWWQNUSA-N 2 0 295.471 1.859 10 0 CDAERP CCN(CC[NH2+]CC1CCCC1)C(=O)C1CC[NH+](C)CC1 ZINC001716237882 1180115493 /nfs/dbraw/zinc/11/54/93/1180115493.db2.gz QNJKWCWQRDRISW-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP COCC[NH2+]C[C@@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001716424883 1180199019 /nfs/dbraw/zinc/19/90/19/1180199019.db2.gz XDNPNATWMMRACJ-CYBMUJFWSA-N 2 0 293.411 1.103 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@H]1CCCC[C@@H]1C[NH2+]CCCF ZINC001716519635 1180264197 /nfs/dbraw/zinc/26/41/97/1180264197.db2.gz FHGVKEORYWASQM-CABCVRRESA-N 2 0 299.434 1.706 10 0 CDAERP CC(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001716860713 1180444875 /nfs/dbraw/zinc/44/48/75/1180444875.db2.gz PVMFFVHTKJDHRK-DOTOQJQBSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001716993346 1180495025 /nfs/dbraw/zinc/49/50/25/1180495025.db2.gz HYNPFXRDXHLBBP-LSDHHAIUSA-N 2 0 283.460 1.812 10 0 CDAERP [NH3+][C@H]1CCCC[C@H]1C(=O)NCCC[NH+]1CCCCCC1 ZINC000163611197 1180515131 /nfs/dbraw/zinc/51/51/31/1180515131.db2.gz VJXSQXCWNBUABW-CABCVRRESA-N 2 0 281.444 1.886 10 0 CDAERP CC[NH2+]CC[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001717111320 1180532751 /nfs/dbraw/zinc/53/27/51/1180532751.db2.gz QBXBNPSALRMQBP-HNNXBMFYSA-N 2 0 281.444 1.711 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CCCF)C1 ZINC001717145764 1180546528 /nfs/dbraw/zinc/54/65/28/1180546528.db2.gz COACAJFZWSROCB-ZIAGYGMSSA-N 2 0 285.407 1.268 10 0 CDAERP Cc1nc[nH]c1CC(=O)NC1CC(C[NH2+]C/C=C/Cl)C1 ZINC001717393429 1180644794 /nfs/dbraw/zinc/64/47/94/1180644794.db2.gz WNIWBHPHHWHOJM-NSCUHMNNSA-N 2 0 296.802 1.498 10 0 CDAERP CC[C@@H](C(=O)N(C)C1CC([NH2+]CC=C(C)C)C1)[NH+](C)C ZINC001717996841 1180962969 /nfs/dbraw/zinc/96/29/69/1180962969.db2.gz VCXWZDDUOUXVKU-NRXISQOPSA-N 2 0 281.444 1.872 10 0 CDAERP COCCCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001724996687 1181819034 /nfs/dbraw/zinc/81/90/34/1181819034.db2.gz MCSWRTYHLBGVLF-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP CC/C=C\CC[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001725062350 1181840221 /nfs/dbraw/zinc/84/02/21/1181840221.db2.gz JKIMTWWLRWAQTL-WENUISLWSA-N 2 0 293.455 1.921 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCCC[N@H+](C)CCF)C1 ZINC001731278095 1182291717 /nfs/dbraw/zinc/29/17/17/1182291717.db2.gz OOQGEXYVCSJVDH-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001731394485 1182358107 /nfs/dbraw/zinc/35/81/07/1182358107.db2.gz XALWHIBYFJANKS-KGLIPLIRSA-N 2 0 267.417 1.364 10 0 CDAERP C[C@@H](O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001731543510 1182442876 /nfs/dbraw/zinc/44/28/76/1182442876.db2.gz SNJFPWFXUCJSRX-HUUCEWRRSA-N 2 0 299.459 1.070 10 0 CDAERP CCCCC[NH2+][C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001731633235 1182492961 /nfs/dbraw/zinc/49/29/61/1182492961.db2.gz LUEQAWOCTMLTLL-KGLIPLIRSA-N 2 0 269.433 1.613 10 0 CDAERP CCC(CC)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001731636463 1182494134 /nfs/dbraw/zinc/49/41/34/1182494134.db2.gz DIZCEGPBEVBGIJ-GXTWGEPZSA-N 2 0 269.433 1.469 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001731758392 1182549636 /nfs/dbraw/zinc/54/96/36/1182549636.db2.gz KFOWZFJZGNQMNI-OAHLLOKOSA-N 2 0 293.455 1.853 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)CC[NH2+]Cc1c(C)noc1C ZINC001731976823 1182710241 /nfs/dbraw/zinc/71/02/41/1182710241.db2.gz OOTYKEIHLGOHKI-UHFFFAOYSA-N 2 0 296.415 1.181 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+]Cc1ccc(F)cc1 ZINC001731988035 1182716136 /nfs/dbraw/zinc/71/61/36/1182716136.db2.gz RUPMBOZFOFHTMD-UHFFFAOYSA-N 2 0 295.402 1.714 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001732156731 1182816010 /nfs/dbraw/zinc/81/60/10/1182816010.db2.gz CSPRAQNALYXAPF-DKLOGILVSA-N 2 0 293.455 1.970 10 0 CDAERP CCCCC[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001732168825 1182828355 /nfs/dbraw/zinc/82/83/55/1182828355.db2.gz OXOHUSCAABSGOP-AWEZNQCLSA-N 2 0 269.433 1.661 10 0 CDAERP C[C@H](C[NH2+]C/C=C\Cl)N(C)C(=O)C[NH+]1CCCC1 ZINC001732453909 1182973838 /nfs/dbraw/zinc/97/38/38/1182973838.db2.gz JUSFWUOGPABYSI-FOQNGQEVSA-N 2 0 273.808 1.271 10 0 CDAERP C[C@H](C[NH2+]CCC1CCCC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001732454626 1182974161 /nfs/dbraw/zinc/97/41/61/1182974161.db2.gz PDPYSQBWGWZXIZ-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP CC[NH2+]C[C@@H](CC(C)C)NC(=O)C[N@H+](C)C(C)C ZINC001732471065 1182981304 /nfs/dbraw/zinc/98/13/04/1182981304.db2.gz GZBHIZBCBVMJAU-CYBMUJFWSA-N 2 0 257.422 1.467 10 0 CDAERP CCCC[NH2+]C[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001733019893 1183240940 /nfs/dbraw/zinc/24/09/40/1183240940.db2.gz LHLPFXNKMLIFJY-STQMWFEESA-N 2 0 255.406 1.223 10 0 CDAERP CC[N@H+](C)C[C@H](C)NC(=O)CC[C@H]1CCC[NH+]1C ZINC001733045803 1183261683 /nfs/dbraw/zinc/26/16/83/1183261683.db2.gz RVIQFOWITXITIW-QWHCGFSZSA-N 2 0 255.406 1.317 10 0 CDAERP CC(C)[NH2+][C@H](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001733538322 1183458833 /nfs/dbraw/zinc/45/88/33/1183458833.db2.gz YLOLTJDUQRMXIK-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CC[C@H](C[NH2+]CCF)CC2)C1 ZINC001733691407 1183497474 /nfs/dbraw/zinc/49/74/74/1183497474.db2.gz FQMSILNSPAETAD-KKUMJFAQSA-N 2 0 299.434 1.562 10 0 CDAERP COCCCC[NH2+][C@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001733990868 1183603888 /nfs/dbraw/zinc/60/38/88/1183603888.db2.gz POGIANDZLHXFSG-KGLIPLIRSA-N 2 0 299.459 1.238 10 0 CDAERP C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)[NH2+]CCCF ZINC001734339673 1183738811 /nfs/dbraw/zinc/73/88/11/1183738811.db2.gz OUDQNKDQPOKWDC-GFCCVEGCSA-N 2 0 273.396 1.124 10 0 CDAERP COCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@@H]1C ZINC001734406494 1183765284 /nfs/dbraw/zinc/76/52/84/1183765284.db2.gz JIECPOFHHNBXFT-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)=CC[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001734602643 1183842843 /nfs/dbraw/zinc/84/28/43/1183842843.db2.gz LEFXRVZKCSZXBJ-NFOMZHRRSA-N 2 0 279.428 1.483 10 0 CDAERP [NH3+]CCOc1cccc(NC(=O)[C@H]2CCCC[C@H]2[NH3+])c1 ZINC001771738460 1186853029 /nfs/dbraw/zinc/85/30/29/1186853029.db2.gz AWZZXDFWAHKBPZ-UONOGXRCSA-N 2 0 277.368 1.480 10 0 CDAERP CC1(C)C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)C[C@@H]([NH3+])C1 ZINC000925594209 697651608 /nfs/dbraw/zinc/65/16/08/697651608.db2.gz PRVCFXNUIOPQAH-BDAKNGLRSA-N 2 0 281.322 1.161 10 0 CDAERP C[C@@H]1[C@H](NC(=O)C2CC[NH+](C3CC3)CC2)CC[N@@H+]1C ZINC000928442970 697724725 /nfs/dbraw/zinc/72/47/25/697724725.db2.gz RUEXFCRQPUUGLE-BXUZGUMPSA-N 2 0 265.401 1.070 10 0 CDAERP C[C@@H]1C[C@H](C)N(CCCCS(C)(=O)=O)C[C@H]1C[NH3+] ZINC000706516729 697768513 /nfs/dbraw/zinc/76/85/13/697768513.db2.gz ZUGNXAOMZVLCML-FRRDWIJNSA-N 2 0 276.446 1.116 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CC(=O)NC2CCCC2)C1 ZINC000925594419 697797957 /nfs/dbraw/zinc/79/79/57/697797957.db2.gz BWCIHJZXHQAROT-DGCLKSJQSA-N 2 0 267.417 1.541 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000711384906 697806454 /nfs/dbraw/zinc/80/64/54/697806454.db2.gz ISRVGIQWABFNCP-ZDUSSCGKSA-N 2 0 281.444 1.565 10 0 CDAERP C[NH+](C)CC1(O)CCN(Cc2nc3c(o2)CCCC3)CC1 ZINC000931479556 697834209 /nfs/dbraw/zinc/83/42/09/697834209.db2.gz SVKCLHNLJVTAHR-UHFFFAOYSA-N 2 0 293.411 1.442 10 0 CDAERP C[C@H]1COCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000399264372 697860695 /nfs/dbraw/zinc/86/06/95/697860695.db2.gz NDQKYXGPKQWXFN-CYBMUJFWSA-N 2 0 260.381 1.801 10 0 CDAERP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000713007120 697881616 /nfs/dbraw/zinc/88/16/16/697881616.db2.gz DEHVKKVRRUQSQU-CYBMUJFWSA-N 2 0 283.460 1.987 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCn1cnc2ccccc21 ZINC000924827206 697971352 /nfs/dbraw/zinc/97/13/52/697971352.db2.gz YOHDSAUOIZUITR-VMZNBEPHSA-N 2 0 284.407 1.966 10 0 CDAERP CO[C@H](CC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2)C(F)(F)F ZINC000925646627 698006713 /nfs/dbraw/zinc/00/67/13/698006713.db2.gz VSSWATZUSBNPIX-LPEHRKFASA-N 2 0 266.307 1.813 10 0 CDAERP CN(CCC[NH+](C)C)CCNC(=O)c1sccc1F ZINC000855414605 698009851 /nfs/dbraw/zinc/00/98/51/698009851.db2.gz IVALZTLUJCAZOV-UHFFFAOYSA-N 2 0 287.404 1.501 10 0 CDAERP COCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866704980 698038979 /nfs/dbraw/zinc/03/89/79/698038979.db2.gz RQCDIFBOROMHIQ-BBRMVZONSA-N 2 0 299.459 1.225 10 0 CDAERP [NH3+]CCN(CCc1ccccc1)C(=O)c1cccc(C[NH3+])c1 ZINC000841850467 698085114 /nfs/dbraw/zinc/08/51/14/698085114.db2.gz ACFDUZASXVSCEP-UHFFFAOYSA-N 2 0 297.402 1.789 10 0 CDAERP C[C@@H]1C[N@H+](C[C@@H]2CC3(CCC3)CO2)CC[C@H]1C[NH3+] ZINC000923490671 698096905 /nfs/dbraw/zinc/09/69/05/698096905.db2.gz OQDOPDRJLKHTMO-RDBSUJKOSA-N 2 0 252.402 1.862 10 0 CDAERP C(COC1CCOCC1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000925878610 698185417 /nfs/dbraw/zinc/18/54/17/698185417.db2.gz XKLASGDQZCWWJQ-MELADBBJSA-N 2 0 268.401 1.160 10 0 CDAERP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923500955 698282296 /nfs/dbraw/zinc/28/22/96/698282296.db2.gz SMMINXORKFLFOW-AGIUHOORSA-N 2 0 269.433 1.596 10 0 CDAERP C([NH2+][C@@H]1CC[NH2+]C12CCCC2)[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925726525 698287879 /nfs/dbraw/zinc/28/78/79/698287879.db2.gz JDNKXJXXVHQFND-LXTVHRRPSA-N 3 0 263.429 1.781 10 0 CDAERP CCOC(=O)C1=CC[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000863544334 698304433 /nfs/dbraw/zinc/30/44/33/698304433.db2.gz QUSOLLATXJREAQ-AGIUHOORSA-N 2 0 252.358 1.498 10 0 CDAERP C[NH+](C)C1CC(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000857230285 698315215 /nfs/dbraw/zinc/31/52/15/698315215.db2.gz HOUWOBGIHSBLHN-HLIUYOAVSA-N 2 0 293.455 1.850 10 0 CDAERP O=[S@](CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)CC(F)(F)F ZINC000850349745 698315252 /nfs/dbraw/zinc/31/52/52/698315252.db2.gz JMWCYRRAPMRKGZ-RMDKCXRXSA-N 2 0 298.374 1.514 10 0 CDAERP C[C@@H](C[NH2+]C[C@@H](O)CC(C)(C)O)C[NH+]1CCCCC1 ZINC000872201181 698322727 /nfs/dbraw/zinc/32/27/27/698322727.db2.gz SLUVAIJHOFROKI-KBPBESRZSA-N 2 0 272.433 1.220 10 0 CDAERP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000870973399 698324337 /nfs/dbraw/zinc/32/43/37/698324337.db2.gz UXZLVSROYAZMIR-WCDYYPSBSA-N 2 0 277.412 1.164 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H]1CC[NH+](C)[C@@H]1C ZINC000922546861 698346288 /nfs/dbraw/zinc/34/62/88/698346288.db2.gz DSUBFGBSPUADFV-MCIONIFRSA-N 2 0 284.448 1.499 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925546927 698375046 /nfs/dbraw/zinc/37/50/46/698375046.db2.gz LDHDKJYMLLTQPA-OWCLPIDISA-N 3 0 296.503 1.508 10 0 CDAERP CC(C)[C@@H]1COCC[C@@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000925713265 698382982 /nfs/dbraw/zinc/38/29/82/698382982.db2.gz XAYPEUQXOQGTLG-GJZGRUSLSA-N 2 0 252.402 1.899 10 0 CDAERP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000925502069 698416098 /nfs/dbraw/zinc/41/60/98/698416098.db2.gz DVKKCWZMCOTGHM-RBSFLKMASA-N 2 0 265.445 1.981 10 0 CDAERP [NH3+]CC12CCC(CC1)CN2C(=O)C=C1CC[NH2+]CC1 ZINC000852893498 698472186 /nfs/dbraw/zinc/47/21/86/698472186.db2.gz HNGMNSHYEXNPOV-UHFFFAOYSA-N 2 0 263.385 1.026 10 0 CDAERP Clc1cccc(OCCCN2CC[NH2+]CC[NH2+]CC2)c1 ZINC000923461837 698482835 /nfs/dbraw/zinc/48/28/35/698482835.db2.gz XKOCMSJVABWFAN-UHFFFAOYSA-N 2 0 297.830 1.604 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+][C@@H](C2CC2)C2CCOCC2)CC1 ZINC000925118494 698549512 /nfs/dbraw/zinc/54/95/12/698549512.db2.gz SMKSUHNZPAMAIY-HNNXBMFYSA-N 2 0 282.428 1.238 10 0 CDAERP C[C@H](c1ccc(F)cc1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923461536 698574150 /nfs/dbraw/zinc/57/41/50/698574150.db2.gz QPEAQEUXHJVKRM-GFCCVEGCSA-N 2 0 251.349 1.382 10 0 CDAERP Cc1cccc(OC[C@H](O)C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925567872 698584461 /nfs/dbraw/zinc/58/44/61/698584461.db2.gz LYDJJSSIVITUML-KBMXLJTQSA-N 2 0 290.407 1.594 10 0 CDAERP C[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1C)[NH+]1CCCCC1 ZINC000858277405 698589562 /nfs/dbraw/zinc/58/95/62/698589562.db2.gz MDZXGPDNAIJYDJ-KGLIPLIRSA-N 2 0 282.432 1.254 10 0 CDAERP Cn1c(C[NH2+]CCCC[NH+]2CCOCC2)cnc1Cl ZINC000848527435 698647396 /nfs/dbraw/zinc/64/73/96/698647396.db2.gz AVABSVGIEUNUJR-UHFFFAOYSA-N 2 0 286.807 1.276 10 0 CDAERP O[C@H](C[NH2+]CC[C@@H]1CC1(Cl)Cl)C[NH+]1CCCC1 ZINC000863562250 698686542 /nfs/dbraw/zinc/68/65/42/698686542.db2.gz IDTMLTQVFGZAHS-GHMZBOCLSA-N 2 0 281.227 1.617 10 0 CDAERP C[N@@H+]1CCC[C@@H]2CN(C[C@]3(C)CC[NH2+]C3)CC[C@H]21 ZINC000167588321 698716818 /nfs/dbraw/zinc/71/68/18/698716818.db2.gz KKKOQXJXXZHGSB-RBSFLKMASA-N 3 0 251.418 1.402 10 0 CDAERP CNC(=O)C(C)(C)C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925604753 698724095 /nfs/dbraw/zinc/72/40/95/698724095.db2.gz AVIZGGBWTNYQRM-MNOVXSKESA-N 2 0 255.406 1.254 10 0 CDAERP CC[N@H+](CCN[C@@H]1CC[NH2+]C12CCCC2)C(C)C ZINC000925560065 698724784 /nfs/dbraw/zinc/72/47/84/698724784.db2.gz WMMNTBKADVSAEU-CQSZACIVSA-N 2 0 253.434 1.981 10 0 CDAERP CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714487506 698787301 /nfs/dbraw/zinc/78/73/01/698787301.db2.gz SKUGLDUCTSMQBR-QWHCGFSZSA-N 2 0 283.460 1.987 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@H]2C[NH2+]CC2(C)C)C1 ZINC000711355363 698790829 /nfs/dbraw/zinc/79/08/29/698790829.db2.gz DKQRYLJJYYMJGC-JHJVBQTASA-N 2 0 267.417 1.221 10 0 CDAERP OCC1(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CCC1 ZINC000925647924 698792747 /nfs/dbraw/zinc/79/27/47/698792747.db2.gz KJBKRUQGZPSSEI-HUUCEWRRSA-N 2 0 266.429 1.907 10 0 CDAERP Cc1nnc(CCN(C)CC[C@@H]2CCCC[N@@H+]2C)o1 ZINC000929722719 698800247 /nfs/dbraw/zinc/80/02/47/698800247.db2.gz PAJNYOIAFMRRIM-ZDUSSCGKSA-N 2 0 266.389 1.727 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1CSC1(C)C ZINC000848992841 698802452 /nfs/dbraw/zinc/80/24/52/698802452.db2.gz YBCGKRJXMDGTEF-MNOVXSKESA-N 2 0 270.446 1.479 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@]1(O)CCc2ccccc21 ZINC000817918118 698807758 /nfs/dbraw/zinc/80/77/58/698807758.db2.gz SZXLIYHVYISMGM-GDBMZVCRSA-N 2 0 278.396 1.164 10 0 CDAERP CC[C@]1(C(=O)N2CC[N@H+](C)C(C)(C)CC2)CCC[NH2+]1 ZINC000712677931 698823412 /nfs/dbraw/zinc/82/34/12/698823412.db2.gz KQJRVDNCENBVRL-OAHLLOKOSA-N 2 0 267.417 1.461 10 0 CDAERP CO[C@@H]1CC[C@H]([N@@H+]2C[C@@]3(C)CN(C)C[C@@]3(C)C2)C1 ZINC000931313396 698826955 /nfs/dbraw/zinc/82/69/55/698826955.db2.gz BFYGWLVDEGUAKD-LJISPDSOSA-N 2 0 252.402 1.828 10 0 CDAERP CC(C)[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(F)cn1 ZINC000925813823 698833662 /nfs/dbraw/zinc/83/36/62/698833662.db2.gz ZOPYAZAUUYMLCG-INIZCTEOSA-N 2 0 294.418 1.931 10 0 CDAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCSC(F)(F)F)C[C@H]12 ZINC000381397812 698839184 /nfs/dbraw/zinc/83/91/84/698839184.db2.gz PHAGDIILJVAUAY-HRDYMLBCSA-N 2 0 254.321 1.909 10 0 CDAERP CCC[N@@H+]1CC[C@H](N[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925707701 698843181 /nfs/dbraw/zinc/84/31/81/698843181.db2.gz QNWZOOPUNDQNAQ-HZSPNIEDSA-N 2 0 253.434 1.966 10 0 CDAERP C[NH2+]Cc1ccccc1C[NH2+]C1CCN(C=O)CC1 ZINC000844924771 698868035 /nfs/dbraw/zinc/86/80/35/698868035.db2.gz QIJMCPQCKXTFEU-UHFFFAOYSA-N 2 0 261.369 1.116 10 0 CDAERP C[C@](O)(C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)c1ccccc1 ZINC000925614637 698868521 /nfs/dbraw/zinc/86/85/21/698868521.db2.gz ZGUJMHKGZNQHBH-ILXRZTDVSA-N 2 0 260.381 1.754 10 0 CDAERP C[NH+](C)[C@@]1(CN[C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCSC1 ZINC000925531926 698869512 /nfs/dbraw/zinc/86/95/12/698869512.db2.gz SMTRKFCIAKYNTM-ORIJERBGSA-N 2 0 297.512 1.790 10 0 CDAERP C[C@H](CN[C@H]1CC[NH2+]C12CCC2)[NH+]1CCCCC1 ZINC000925611436 698870825 /nfs/dbraw/zinc/87/08/25/698870825.db2.gz CLBHKPYHJDGIOX-KGLIPLIRSA-N 2 0 251.418 1.735 10 0 CDAERP CCC[C@H](O)C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925483659 698877378 /nfs/dbraw/zinc/87/73/78/698877378.db2.gz WXHLDARVYMOMHC-KKUMJFAQSA-N 2 0 254.418 1.905 10 0 CDAERP c1cc(CC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)sn1 ZINC000925732679 698878823 /nfs/dbraw/zinc/87/88/23/698878823.db2.gz QZPHBPKQSSDLQA-MELADBBJSA-N 2 0 281.425 1.432 10 0 CDAERP COCC[N@H+](C)CCC[NH2+][C@@H](C1CCC1)[C@@H]1CCCO1 ZINC000866231146 698885541 /nfs/dbraw/zinc/88/55/41/698885541.db2.gz QANVIRMHBAUFBB-HOTGVXAUSA-N 2 0 284.444 1.892 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+]2CCCC2)CC[N@@H+]1C ZINC000865176831 698889517 /nfs/dbraw/zinc/88/95/17/698889517.db2.gz ZQTVXAOWIILXKL-HZSPNIEDSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@H]([NH2+][C@@H]1CCCN2CCSC[C@H]12)[C@H]1CC[NH2+]C1 ZINC000720484772 698897110 /nfs/dbraw/zinc/89/71/10/698897110.db2.gz RLKPOTGOXSTSBS-IGQOVBAYSA-N 2 0 269.458 1.154 10 0 CDAERP CC[C@@H]1C[N@H+](CC)CCN1Cc1[nH]c(C)nc1C ZINC000930653574 698927721 /nfs/dbraw/zinc/92/77/21/698927721.db2.gz VZHFJUHJJRHJPS-CYBMUJFWSA-N 2 0 250.390 1.943 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257728821 698943157 /nfs/dbraw/zinc/94/31/57/698943157.db2.gz WTDZGUZAXYBRBN-HIFRSBDPSA-N 2 0 265.401 1.073 10 0 CDAERP C[N@@H+]1C[C@@H]2C[NH+](CCCCCCC[NH3+])C[C@]2(C)C1 ZINC000702400811 698989541 /nfs/dbraw/zinc/98/95/41/698989541.db2.gz MFDTZBUHDGUWFL-CABCVRRESA-N 3 0 253.434 1.779 10 0 CDAERP OC1(CC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CCOCC1 ZINC000925670532 699004451 /nfs/dbraw/zinc/00/44/51/699004451.db2.gz LWEFDHKIDWJTTL-HZPDHXFCSA-N 2 0 296.455 1.676 10 0 CDAERP C[C@@H]1CCC[N@H+](CCO[C@H]2CCOC2)[C@H]1CC[NH3+] ZINC000724943513 704811868 /nfs/dbraw/zinc/81/18/68/704811868.db2.gz PBNNBXZCNIABSL-RDBSUJKOSA-N 2 0 256.390 1.241 10 0 CDAERP C[C@H](CNC(=[NH2+])N[C@@H]1C[C@H]1C)C[NH+]1CCCCC1 ZINC000864455104 704822977 /nfs/dbraw/zinc/82/29/77/704822977.db2.gz GQIDAMNNHAQZRQ-JHJVBQTASA-N 2 0 252.406 1.631 10 0 CDAERP CCn1cnnc1CC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925571046 704825305 /nfs/dbraw/zinc/82/53/05/704825305.db2.gz DDJQEBHSAREWEN-GJZGRUSLSA-N 2 0 291.443 1.598 10 0 CDAERP C[NH+](C)C[C@H](NC(=O)C[C@H]([NH3+])C1CC1)c1ccccc1 ZINC000123897473 704827962 /nfs/dbraw/zinc/82/79/62/704827962.db2.gz MLOKOQHISWKCLC-GJZGRUSLSA-N 2 0 275.396 1.533 10 0 CDAERP FCCn1cc(C[NH2+][C@H]2CCc3nc[nH]c3C2)cn1 ZINC000922138762 704834117 /nfs/dbraw/zinc/83/41/17/704834117.db2.gz KIPIKJAZSRHHJG-NSHDSACASA-N 2 0 263.320 1.223 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+][C@@H]1CO[C@@H](C)[C@@H]1C ZINC000926149554 704835751 /nfs/dbraw/zinc/83/57/51/704835751.db2.gz CQGGILBSGIIMMC-MELADBBJSA-N 2 0 258.406 1.358 10 0 CDAERP [NH3+][C@@H](C(=O)N1CC[C@@H]([NH3+])C1)c1cccc(Br)c1 ZINC000870933545 704838135 /nfs/dbraw/zinc/83/81/35/704838135.db2.gz PKKLCCYVLPROPZ-GHMZBOCLSA-N 2 0 298.184 1.009 10 0 CDAERP C[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1ccnn1C ZINC000925845777 704858375 /nfs/dbraw/zinc/85/83/75/704858375.db2.gz IUROVJCRIURATN-CQSZACIVSA-N 2 0 279.432 1.146 10 0 CDAERP Cc1cc(N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)nc(N)[nH+]1 ZINC000389939294 704866184 /nfs/dbraw/zinc/86/61/84/704866184.db2.gz OCPXZIMLTOZJGF-WFASDCNBSA-N 2 0 297.406 1.552 10 0 CDAERP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000923307608 704889731 /nfs/dbraw/zinc/88/97/31/704889731.db2.gz VWHJAIQQYTVQTK-SOUVJXGZSA-N 2 0 296.459 1.499 10 0 CDAERP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000713044525 704931390 /nfs/dbraw/zinc/93/13/90/704931390.db2.gz QNJKVUXWINCVQM-NWDGAFQWSA-N 2 0 255.406 1.206 10 0 CDAERP C[C@H](C(=O)NC1CCCC1)[N@H+](C)CCCCCC[NH3+] ZINC000710832098 704983449 /nfs/dbraw/zinc/98/34/49/704983449.db2.gz HDVLFGZZFBAUOG-CYBMUJFWSA-N 2 0 269.433 1.885 10 0 CDAERP C[NH+]1CCC2(CCN(C(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)CC2)CC1 ZINC000872310459 705038191 /nfs/dbraw/zinc/03/81/91/705038191.db2.gz ZFDXPANEWKYOLO-KEYYUXOJSA-N 2 0 291.439 1.448 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000854229515 705074784 /nfs/dbraw/zinc/07/47/84/705074784.db2.gz QFGZLIWHFSEWIH-UTUOFQBUSA-N 2 0 278.343 1.144 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC000925826132 705262920 /nfs/dbraw/zinc/26/29/20/705262920.db2.gz JXVXMIWDOKGWAO-CYBMUJFWSA-N 2 0 270.417 1.415 10 0 CDAERP C[NH+](C)CC1(O)CC[NH+](C[C@@H]2CCCC3(CCC3)O2)CC1 ZINC000931479229 705268867 /nfs/dbraw/zinc/26/88/67/705268867.db2.gz NMAMLGSKMVWGRP-HNNXBMFYSA-N 2 0 296.455 1.867 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H](CO)CC(F)F)C1 ZINC000925651692 705284872 /nfs/dbraw/zinc/28/48/72/705284872.db2.gz JGDAFWOAOUVDKD-BBBLOLIVSA-N 2 0 250.333 1.498 10 0 CDAERP CC[C@@H](F)C[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001448771194 967247091 /nfs/dbraw/zinc/24/70/91/967247091.db2.gz FACHNDRMCTXEBV-QWHCGFSZSA-N 2 0 275.412 1.511 10 0 CDAERP CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001568685349 1167539064 /nfs/dbraw/zinc/53/90/64/1167539064.db2.gz VSJNCFYGLWRNHK-ZIAGYGMSSA-N 2 0 269.433 1.754 10 0 CDAERP CCN(CC[NH2+]CC=C(C)C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001568791839 1167543194 /nfs/dbraw/zinc/54/31/94/1167543194.db2.gz WDMODWYBFREDAB-OAHLLOKOSA-N 2 0 281.444 1.733 10 0 CDAERP CCN1C[C@@H](C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)OC1=O ZINC001645914669 1167565793 /nfs/dbraw/zinc/56/57/93/1167565793.db2.gz SYADARPBYMKDJZ-CQSZACIVSA-N 2 0 295.427 1.635 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N1CCCC2(CC[NH+](C)CC2)C1 ZINC001417728176 1167648520 /nfs/dbraw/zinc/64/85/20/1167648520.db2.gz RCTWRCREZNGTMW-HNNXBMFYSA-N 2 0 295.471 1.909 10 0 CDAERP CC1(C)C[NH2+]CC[C@H](NC(=O)CCCCCC[NH3+])C1 ZINC000872269161 848045304 /nfs/dbraw/zinc/04/53/04/848045304.db2.gz OVQNSWKNJFKJPL-ZDUSSCGKSA-N 2 0 269.433 1.790 10 0 CDAERP C[C@H]([NH2+]C1CC1)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000870990675 848049382 /nfs/dbraw/zinc/04/93/82/848049382.db2.gz AUPGQUAJOMDPFU-NHYWBVRUSA-N 2 0 267.417 1.350 10 0 CDAERP CC1(C)CCC[C@H]([NH2+]CCN2CCC([NH3+])CC2)C1 ZINC000925809885 848075383 /nfs/dbraw/zinc/07/53/83/848075383.db2.gz BTHNKJVFPLFIAD-AWEZNQCLSA-N 2 0 253.434 1.968 10 0 CDAERP COCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866704981 848086991 /nfs/dbraw/zinc/08/69/91/848086991.db2.gz RQCDIFBOROMHIQ-CJNGLKHVSA-N 2 0 299.459 1.225 10 0 CDAERP C[C@H](CCCO)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925547200 848102920 /nfs/dbraw/zinc/10/29/20/848102920.db2.gz ADQYIFOWPDEFQF-BPLDGKMQSA-N 2 0 254.418 1.905 10 0 CDAERP CC(=O)NCC1CCC([NH2+]CC(C)(C)C[NH+](C)C)CC1 ZINC000865398176 848106604 /nfs/dbraw/zinc/10/66/04/848106604.db2.gz SMHISFYTCZMIBQ-UHFFFAOYSA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)(C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)C(=O)N1CCCC1 ZINC000925716305 848119806 /nfs/dbraw/zinc/11/98/06/848119806.db2.gz CUDMXMCUCIPQCU-OLZOCXBDSA-N 2 0 279.428 1.495 10 0 CDAERP CC[N@@H+](Cc1ccccc1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923299918 848136501 /nfs/dbraw/zinc/13/65/01/848136501.db2.gz JCHZGDVJBVTEDP-OAHLLOKOSA-N 2 0 260.381 1.887 10 0 CDAERP C[C@H](O)c1ncc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)s1 ZINC000843128270 848186222 /nfs/dbraw/zinc/18/62/22/848186222.db2.gz VHRFGHFUMDWPKS-SDDRHHMPSA-N 2 0 281.425 1.628 10 0 CDAERP CC1(C)[C@@H](NC[C@]2(C)CCC[NH2+]C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925696934 848190826 /nfs/dbraw/zinc/19/08/26/848190826.db2.gz BSRWABNFKWQVBB-ORIJERBGSA-N 2 0 265.445 1.742 10 0 CDAERP [NH3+][C@H]1C[C@H]([NH2+]CCn2ccc(C(F)(F)F)n2)C12CCC2 ZINC000925729729 848196057 /nfs/dbraw/zinc/19/60/57/848196057.db2.gz LJKVGRFMTINABU-ONGXEEELSA-N 2 0 288.317 1.761 10 0 CDAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH+](C)[C@H]2C)C1 ZINC000925327677 848211726 /nfs/dbraw/zinc/21/17/26/848211726.db2.gz QSPHHGZPORENKR-MELADBBJSA-N 2 0 282.432 1.062 10 0 CDAERP C([NH2+][C@H]1CC[C@H]2COCC[C@@H]2C1)C12CC(C1)C[NH2+]2 ZINC000925716958 848228793 /nfs/dbraw/zinc/22/87/93/848228793.db2.gz UABNDMMUFWIDPP-IUWDBWQKSA-N 2 0 250.386 1.533 10 0 CDAERP CC(C)(CN1CCCC1)[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724648330 848247521 /nfs/dbraw/zinc/24/75/21/848247521.db2.gz YETQZVCQBKWCAX-RDBSUJKOSA-N 2 0 268.401 1.254 10 0 CDAERP O[C@@H](C[NH2+][C@H]1CCOC12CCCCC2)C[NH+]1CCCC1 ZINC000924757997 848301135 /nfs/dbraw/zinc/30/11/35/848301135.db2.gz RXDFAMCWKCCBND-GJZGRUSLSA-N 2 0 282.428 1.525 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)N(C)CC(C)(C)[NH3+])cc1 ZINC000659526704 848351109 /nfs/dbraw/zinc/35/11/09/848351109.db2.gz QWJDDFQLVMCHLA-LLVKDONJSA-N 2 0 278.400 1.585 10 0 CDAERP Cc1cc([C@H]([NH3+])CC(=O)N2CC[C@H]([NH3+])[C@@H]2C)cc(Cl)n1 ZINC000834771571 848393686 /nfs/dbraw/zinc/39/36/86/848393686.db2.gz XFQFSRFPQLWMLV-ZMLRMANQSA-N 2 0 296.802 1.381 10 0 CDAERP C1C[NH2+][C@H]([C@@H]2CCC[C@@H]2[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000873217442 848400533 /nfs/dbraw/zinc/40/05/33/848400533.db2.gz MLCQLGPXNKZHLM-RPOKEFSISA-N 2 0 276.424 1.920 10 0 CDAERP COC1(OC)CC[C@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000926732451 848401015 /nfs/dbraw/zinc/40/10/15/848401015.db2.gz QCUHQQQTTWOLGD-OAHLLOKOSA-N 2 0 282.428 1.850 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC000935963188 848488352 /nfs/dbraw/zinc/48/83/52/848488352.db2.gz XPSSVMAXZMSYOT-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@@H](CC[NH+](C)C)NC(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000868366775 848580354 /nfs/dbraw/zinc/58/03/54/848580354.db2.gz WUYOGYPINHWZIW-HLIUYOAVSA-N 2 0 298.475 1.889 10 0 CDAERP CC(C)[NH+](CCNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)C(C)C ZINC000713362224 848597295 /nfs/dbraw/zinc/59/72/95/848597295.db2.gz PNKSLWDYQBFHOD-IPYPFGDCSA-N 2 0 267.417 1.349 10 0 CDAERP O[C@@H](C[NH2+]CC[C@H]1CCSC1)C[NH+]1CCCC1 ZINC000704842281 848617523 /nfs/dbraw/zinc/61/75/23/848617523.db2.gz SBYTXHRVHDNIAV-STQMWFEESA-N 2 0 258.431 1.176 10 0 CDAERP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cn(C2CC2)cn1 ZINC000865457889 848639828 /nfs/dbraw/zinc/63/98/28/848639828.db2.gz WEUAHJZEVOWCIF-MRXNPFEDSA-N 2 0 292.427 1.545 10 0 CDAERP CCC[NH+](CCC)CCCNC(=O)C=C1CC[NH2+]CC1 ZINC000852861838 848644625 /nfs/dbraw/zinc/64/46/25/848644625.db2.gz KWENUZBMOZDDEC-UHFFFAOYSA-N 2 0 281.444 1.925 10 0 CDAERP c1ccc(OCCOCC[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923518381 848657504 /nfs/dbraw/zinc/65/75/04/848657504.db2.gz LDLLAPHNHDGMFS-JKSUJKDBSA-N 2 0 290.407 1.623 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+][C@H]1CCOC[C@H]1C(C)C ZINC000926150024 848662836 /nfs/dbraw/zinc/66/28/36/848662836.db2.gz ICTYWKMURINAJZ-HOTGVXAUSA-N 2 0 286.460 1.996 10 0 CDAERP CC1(C)C[NH2+]C[C@H]1Nc1ccncc1Br ZINC000721937164 848700180 /nfs/dbraw/zinc/70/01/80/848700180.db2.gz FRYSCVSPFVESIM-SNVBAGLBSA-N 2 0 270.174 1.676 10 0 CDAERP CC1(C)C[C@@H]([NH2+]C[C@H]2CCCS(=O)(=O)C2)C[C@@H]([NH3+])C1 ZINC000925670949 848719799 /nfs/dbraw/zinc/71/97/99/848719799.db2.gz BEBUTYVTNIIUOV-UPJWGTAASA-N 2 0 288.457 1.307 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)CC[NH2+]CC2CC2)cc1 ZINC000870937575 848770614 /nfs/dbraw/zinc/77/06/14/848770614.db2.gz NFEVLCPEKFDRKB-GFCCVEGCSA-N 2 0 275.396 1.712 10 0 CDAERP COc1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)sn1 ZINC000923492090 848818727 /nfs/dbraw/zinc/81/87/27/848818727.db2.gz VSLISIAPTMAXPJ-ZJUUUORDSA-N 2 0 255.387 1.568 10 0 CDAERP CC1(C)[C@H](N[C@@H]2CC[N@@H+](C3CC3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925494875 848818902 /nfs/dbraw/zinc/81/89/02/848818902.db2.gz LNTQVOPNEBXFLR-REBRKWNGSA-N 2 0 263.429 1.589 10 0 CDAERP CCCCOC[C@H](O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709869965 848828478 /nfs/dbraw/zinc/82/84/78/848828478.db2.gz ZJGZAIILEPBXKI-HUUCEWRRSA-N 2 0 270.417 1.240 10 0 CDAERP Cn1ncc(CCC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)n1 ZINC000925677833 848850099 /nfs/dbraw/zinc/85/00/99/848850099.db2.gz QUDPYVHJNZQYJB-CVEARBPZSA-N 2 0 291.443 1.506 10 0 CDAERP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000870894967 848873305 /nfs/dbraw/zinc/87/33/05/848873305.db2.gz PBCORMWDEDEKNO-NYTXWWLZSA-N 2 0 279.428 1.304 10 0 CDAERP CCCc1ncc(CNC(=[NH2+])NC[C@@H]2CCC[N@@H+]2CC)o1 ZINC000849038069 848883911 /nfs/dbraw/zinc/88/39/11/848883911.db2.gz HRHZPAPDFXULMP-LBPRGKRZSA-N 2 0 293.415 1.725 10 0 CDAERP CSC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000923391951 848887327 /nfs/dbraw/zinc/88/73/27/848887327.db2.gz HCKKOQBMKXEWGB-SYQHCUMBSA-N 2 0 288.457 1.071 10 0 CDAERP Cc1n[nH]c(CC[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)n1 ZINC000925633841 848907660 /nfs/dbraw/zinc/90/76/60/848907660.db2.gz ZIXHOOPQGNZDOQ-UONOGXRCSA-N 2 0 277.416 1.414 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC000866705115 848942628 /nfs/dbraw/zinc/94/26/28/848942628.db2.gz UBBZEMKXGACVDG-QGZVFWFLSA-N 2 0 289.423 1.982 10 0 CDAERP CON(C)C(=O)CC[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000799125595 848944183 /nfs/dbraw/zinc/94/41/83/848944183.db2.gz QKUZTMKANWLEHC-CQSZACIVSA-N 2 0 283.416 1.060 10 0 CDAERP CN(CCC[NH2+][C@@H]1CCCSC1)CC[NH+](C)C ZINC000857784230 848969653 /nfs/dbraw/zinc/96/96/53/848969653.db2.gz SLDDPFQOWQVTNC-CYBMUJFWSA-N 2 0 259.463 1.355 10 0 CDAERP O=C1O[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CN1C1CC1 ZINC000848721142 848976479 /nfs/dbraw/zinc/97/64/79/848976479.db2.gz IDLWMHSIRPAQIP-KBUPBQIOSA-N 2 0 293.411 1.480 10 0 CDAERP CC1(C)[C@@H]([NH3+])c2ccccc2N1C[C@H]1C[NH2+]CCO1 ZINC000866700849 848997923 /nfs/dbraw/zinc/99/79/23/848997923.db2.gz ABYAQQVXDLBSOD-RISCZKNCSA-N 2 0 261.369 1.273 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cccnc1-n1ccnc1 ZINC000817900732 849001923 /nfs/dbraw/zinc/00/19/23/849001923.db2.gz VJPHIFVCMMXUPH-TZMCWYRMSA-N 2 0 271.368 1.484 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)N(C)CC[NH+]2CCCCC2)CC[N@@H+]1C ZINC000925341409 849027858 /nfs/dbraw/zinc/02/78/58/849027858.db2.gz GYALBLANSIVCKQ-KGLIPLIRSA-N 2 0 282.432 1.206 10 0 CDAERP CC[C@](C)([NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1)c1nccs1 ZINC000923327219 849087467 /nfs/dbraw/zinc/08/74/67/849087467.db2.gz QUHGHDLKSCDXTI-AAEUAGOBSA-N 2 0 281.425 1.736 10 0 CDAERP C[C@@H](CNC(=O)C=C1CC[NH2+]CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000852858816 849105174 /nfs/dbraw/zinc/10/51/74/849105174.db2.gz IGSNLDPDKNFOEO-KGLIPLIRSA-N 2 0 279.428 1.533 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925540431 849107236 /nfs/dbraw/zinc/10/72/36/849107236.db2.gz GJFDLSYOOIJBQW-MGPQQGTHSA-N 2 0 269.433 1.203 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000863544214 849202153 /nfs/dbraw/zinc/20/21/53/849202153.db2.gz NMWVANXRUTZTCV-WOPDTQHZSA-N 2 0 276.471 1.192 10 0 CDAERP C[N@@H+]1C[C@@H]2C[NH+](CC3CCC4(CC3)OCCO4)C[C@]2(C)C1 ZINC000933731891 849378871 /nfs/dbraw/zinc/37/88/71/849378871.db2.gz IXKLRKGSQVBLQR-CVEARBPZSA-N 2 0 294.439 1.803 10 0 CDAERP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)C(C)(C)CO ZINC000925022031 849389791 /nfs/dbraw/zinc/38/97/91/849389791.db2.gz DWZGAVXMSBMPCG-KGLIPLIRSA-N 2 0 272.433 1.220 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)CC[C@@H]2CCC[NH2+]C2)C1 ZINC000870988247 849391517 /nfs/dbraw/zinc/39/15/17/849391517.db2.gz KGNXYODAASZIRI-WMLDXEAASA-N 2 0 295.471 1.990 10 0 CDAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+]1CC[C@H](C)C1 ZINC000929462569 849434575 /nfs/dbraw/zinc/43/45/75/849434575.db2.gz USXHGMQONCOHCP-HZSPNIEDSA-N 2 0 267.417 1.175 10 0 CDAERP C[C@@]1(C(F)(F)F)C[N@H+](CC2CC[NH2+]CC2)CCO1 ZINC000712724448 849500686 /nfs/dbraw/zinc/50/06/86/849500686.db2.gz WWPIMWFMUOIAFR-NSHDSACASA-N 2 0 266.307 1.639 10 0 CDAERP C[C@H]1[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@@H+]1C ZINC000928438732 849513624 /nfs/dbraw/zinc/51/36/24/849513624.db2.gz UZQIWOJKWDYHEZ-GXFFZTMASA-N 2 0 258.325 1.157 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](CCOCC(F)F)C1 ZINC000866709396 849519504 /nfs/dbraw/zinc/51/95/04/849519504.db2.gz XFYYUEBWFBYVFT-CYBMUJFWSA-N 2 0 264.360 1.965 10 0 CDAERP COC(=O)[C@@H]1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@H](C)C1 ZINC000923550943 849621000 /nfs/dbraw/zinc/62/10/00/849621000.db2.gz HIFXVORXDUXTLX-LPWJVIDDSA-N 2 0 254.374 1.387 10 0 CDAERP COC(=O)N(C)CC[N@H+](C)CCCCn1ccnc1C ZINC000852569115 849626516 /nfs/dbraw/zinc/62/65/16/849626516.db2.gz DHOZKWBSGBMQSI-UHFFFAOYSA-N 2 0 282.388 1.602 10 0 CDAERP C[N@@H+]1CCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])CCC1(C)C ZINC000712678414 849644974 /nfs/dbraw/zinc/64/49/74/849644974.db2.gz NUQAIEBOQTUGCX-QWHCGFSZSA-N 2 0 267.417 1.304 10 0 CDAERP C[C@H]1[C@H](NC(=O)NC(C)(C)CCC[NH+](C)C)CC[N@@H+]1C ZINC000925342111 849679064 /nfs/dbraw/zinc/67/90/64/849679064.db2.gz ROJVVUDPEKETEC-QWHCGFSZSA-N 2 0 284.448 1.499 10 0 CDAERP C[NH+]1CCC(ONC(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000816534885 849705692 /nfs/dbraw/zinc/70/56/92/849705692.db2.gz XZXGJPKSOUPOTP-CYBMUJFWSA-N 2 0 283.416 1.393 10 0 CDAERP C[N@@H+]1CCC[C@H]1CC[NH2+][C@H]1CCOC12CCOCC2 ZINC000926708846 849707106 /nfs/dbraw/zinc/70/71/06/849707106.db2.gz RNRFSYHGIIGKEF-KBPBESRZSA-N 2 0 268.401 1.398 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000925788706 849707577 /nfs/dbraw/zinc/70/75/77/849707577.db2.gz BKGQJKQHRCPRLP-CABCVRRESA-N 2 0 288.439 1.491 10 0 CDAERP C[NH+](C)[C@]1(CN[C@@H]2CC[NH2+]C23CCCC3)CCSC1 ZINC000925531398 849755733 /nfs/dbraw/zinc/75/57/33/849755733.db2.gz PUHANUXYTVELKL-KGLIPLIRSA-N 2 0 283.485 1.688 10 0 CDAERP C([C@H]1CCC2(CCOCC2)CO1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515030 849780467 /nfs/dbraw/zinc/78/04/67/849780467.db2.gz ARTUGEYGNAYJAK-ARFHVFGLSA-N 2 0 294.439 1.504 10 0 CDAERP C[C@@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)C1CC[NH+](C)CC1 ZINC000724661204 849789129 /nfs/dbraw/zinc/78/91/29/849789129.db2.gz VBYVQRNRAMVJMD-RZFFKMDDSA-N 2 0 268.401 1.110 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)CC[N@@H+]1C ZINC000926964513 849844533 /nfs/dbraw/zinc/84/45/33/849844533.db2.gz RURYCJGBALFPNH-UTUOFQBUSA-N 2 0 281.366 1.941 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@]1(C(F)(F)F)CCCN1 ZINC000925859574 849893115 /nfs/dbraw/zinc/89/31/15/849893115.db2.gz ZTAVUHLRSARNBG-DCAQKATOSA-N 2 0 265.323 1.388 10 0 CDAERP CC1(C)[C@H](N[C@@H]2C[NH2+]CCC2(F)F)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925705939 849944304 /nfs/dbraw/zinc/94/43/04/849944304.db2.gz JBYHYFASRBXEQD-WISYIIOYSA-N 2 0 273.371 1.350 10 0 CDAERP Cc1csc(CONC(=[NH2+])[C@H]2CN(C(C)C)CCO2)n1 ZINC000779650575 849970572 /nfs/dbraw/zinc/97/05/72/849970572.db2.gz CIBNLZKPZGFSQW-LLVKDONJSA-N 2 0 298.412 1.559 10 0 CDAERP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870873243 849977447 /nfs/dbraw/zinc/97/74/47/849977447.db2.gz GGUNHUPFMPTUGG-UZVBGSJOSA-N 2 0 293.455 1.596 10 0 CDAERP CC(C)C[C@@H](CN(C)C)[NH2+]CC1CC[NH+](C)CC1 ZINC000054242743 849980995 /nfs/dbraw/zinc/98/09/95/849980995.db2.gz WICBXFVLEAZKKY-HNNXBMFYSA-N 2 0 255.450 1.894 10 0 CDAERP CN(CC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)CC(F)F ZINC000925725159 849983001 /nfs/dbraw/zinc/98/30/01/849983001.db2.gz QSSIJAKKJVVSJC-GHMZBOCLSA-N 2 0 263.376 1.679 10 0 CDAERP COCC[N@H+](C)CCC[NH2+][C@@H](C1CCC1)[C@H]1CCCO1 ZINC000866231145 850026222 /nfs/dbraw/zinc/02/62/22/850026222.db2.gz QANVIRMHBAUFBB-CVEARBPZSA-N 2 0 284.444 1.892 10 0 CDAERP CC[NH+]1CCC(CCNC(=[NH2+])N[C@@H]2C[C@@H]2C)CC1 ZINC000864458869 850031319 /nfs/dbraw/zinc/03/13/19/850031319.db2.gz VHSLRPOKMBRVBC-WCQYABFASA-N 2 0 252.406 1.631 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)C=C1CC[NH2+]CC1 ZINC000852862246 850073358 /nfs/dbraw/zinc/07/33/58/850073358.db2.gz XNJRKKWYYQGNLS-GFCCVEGCSA-N 2 0 253.390 1.143 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC2CCC1CC2 ZINC000924994486 850117427 /nfs/dbraw/zinc/11/74/27/850117427.db2.gz UQVKMMACJYGVNP-LMPOIIKSSA-N 2 0 265.445 1.791 10 0 CDAERP C[C@H](NC(=O)C=C1CC[NH2+]CC1)C(C)(C)C[NH+](C)C ZINC000852869698 850145898 /nfs/dbraw/zinc/14/58/98/850145898.db2.gz DSADLZSVQLOCLV-LBPRGKRZSA-N 2 0 267.417 1.389 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(OC)OC)C[C@H]1C ZINC000851796451 850153028 /nfs/dbraw/zinc/15/30/28/850153028.db2.gz FHISWNZLBSDCJM-CHWSQXEVSA-N 2 0 258.406 1.800 10 0 CDAERP C[C@@H](CNC(=O)C[NH+]1C2CCC1CC2)[NH+]1C2CCC1CC2 ZINC000929248309 850280474 /nfs/dbraw/zinc/28/04/74/850280474.db2.gz RYBFGTGNABSIDV-AXQFOSQISA-N 2 0 291.439 1.745 10 0 CDAERP C[NH+](C)C[C@@H]1CN(C(=O)Cc2ccco2)C[C@H]1C[NH+](C)C ZINC000870020190 850295925 /nfs/dbraw/zinc/29/59/25/850295925.db2.gz HBDMTJORRBFGKC-ZIAGYGMSSA-N 2 0 293.411 1.020 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCCc3cn[nH]c32)CC1 ZINC000857846527 850296741 /nfs/dbraw/zinc/29/67/41/850296741.db2.gz CENJDBRGBPXXOP-UKRRQHHQSA-N 2 0 291.443 1.403 10 0 CDAERP C[NH+](C)CCCNCc1ccnn1-c1ccccn1 ZINC000647166886 850331342 /nfs/dbraw/zinc/33/13/42/850331342.db2.gz HNVCUATWYJRNQN-UHFFFAOYSA-N 2 0 259.357 1.309 10 0 CDAERP OCCCN1CCC[C@@H]1C[NH2+][C@@H](C1CCC1)[C@H]1CCOC1 ZINC000926501294 850335854 /nfs/dbraw/zinc/33/58/54/850335854.db2.gz JMMIUPGWTRYQAS-BBWFWOEESA-N 2 0 296.455 1.628 10 0 CDAERP C[C@H](C[C@@H]1COCCN1)[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925809454 850420338 /nfs/dbraw/zinc/42/03/38/850420338.db2.gz VQPQVKUHJPFVKW-NVXWUHKLSA-N 2 0 297.487 1.903 10 0 CDAERP CCC(C)(C)NC(=O)[C@H](C)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702056355 850454897 /nfs/dbraw/zinc/45/48/97/850454897.db2.gz SRUWEIYVYDAKBV-SLEUVZQESA-N 2 0 267.417 1.221 10 0 CDAERP CN(C)[C@H](CC[NH2+][C@@H]1CCC[C@H]1C[NH3+])C(F)(F)F ZINC000925838671 850483221 /nfs/dbraw/zinc/48/32/21/850483221.db2.gz ZZMGGBUKZCRNAI-HBNTYKKESA-N 2 0 267.339 1.586 10 0 CDAERP CC(C)c1cc([C@H]2CCC[N@@H+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)C2)[nH]n1 ZINC000923422962 850489869 /nfs/dbraw/zinc/48/98/69/850489869.db2.gz YBYSVHWEZQAKQE-APYUEPQZSA-N 2 0 292.427 1.563 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)[C@@H]1CC[C@H]2C[C@H](C)C[NH+]2C1 ZINC001646941577 1168274548 /nfs/dbraw/zinc/27/45/48/1168274548.db2.gz IFMIYAHQUWNOCV-XHSDSOJGSA-N 2 0 295.471 1.955 10 0 CDAERP O=C(Cc1c[nH]cn1)NCCC[N@@H+](C/C=C\Cl)C1CC1 ZINC001566599036 1168352181 /nfs/dbraw/zinc/35/21/81/1168352181.db2.gz YULQWYXTPIQIGR-KTAJNNJTSA-N 2 0 296.802 1.675 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CC[NH+](C)C ZINC001272302003 912727432 /nfs/dbraw/zinc/72/74/32/912727432.db2.gz MNAUBWDNFWZGBG-UONOGXRCSA-N 2 0 269.433 1.469 10 0 CDAERP CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267066557 896672424 /nfs/dbraw/zinc/67/24/24/896672424.db2.gz HVUYPUHRHGGEDD-QWHCGFSZSA-N 2 0 255.406 1.175 10 0 CDAERP CC[C@H](C(=O)N1CC[C@H](C[NH2+]C/C=C/Cl)C1)[NH+](C)C ZINC001267068131 896678413 /nfs/dbraw/zinc/67/84/13/896678413.db2.gz VYMMCCFDPBTPHM-MVTQWGDUSA-N 2 0 287.835 1.517 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001267279946 897454166 /nfs/dbraw/zinc/45/41/66/897454166.db2.gz OKFUJCAHEXBOIU-UONOGXRCSA-N 2 0 267.417 1.319 10 0 CDAERP C[N@H+](CCNC(=O)C[NH+]1CCCC1)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001480946837 898070366 /nfs/dbraw/zinc/07/03/66/898070366.db2.gz BIRWZOFAMRJARM-OWCLPIDISA-N 2 0 293.455 1.566 10 0 CDAERP CC(C)=CC[N@@H+](CCNC(=O)CC[NH+](C)C)C1CC1 ZINC001481183871 899075524 /nfs/dbraw/zinc/07/55/24/899075524.db2.gz RUIPXLINFMDNMH-UHFFFAOYSA-N 2 0 267.417 1.485 10 0 CDAERP CCC[NH2+]CC[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001272652195 914372483 /nfs/dbraw/zinc/37/24/83/914372483.db2.gz JXLSUZVLRLQQRR-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCF ZINC001268098209 901279054 /nfs/dbraw/zinc/27/90/54/901279054.db2.gz OESKCKMVXBRBMD-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001481739228 901986859 /nfs/dbraw/zinc/98/68/59/901986859.db2.gz VCJKAASSERGOOM-GJZGRUSLSA-N 2 0 283.460 1.907 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]CCC1CC1 ZINC001482103652 902649444 /nfs/dbraw/zinc/64/94/44/902649444.db2.gz XPGQQKVAMZSPRE-GZBFAFLISA-N 2 0 281.444 1.469 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482159369 902779365 /nfs/dbraw/zinc/77/93/65/902779365.db2.gz OIFPKJZTSLQTRN-LSDHHAIUSA-N 2 0 281.444 1.636 10 0 CDAERP COCC[NH2+]C[C@H](C)NC(=O)[C@@H](c1ccccc1)N(C)C ZINC001268716527 903006330 /nfs/dbraw/zinc/00/63/30/903006330.db2.gz GBRGLCISGSTYTA-DZGCQCFKSA-N 2 0 293.411 1.030 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001269279313 903646995 /nfs/dbraw/zinc/64/69/95/903646995.db2.gz YWZKTMCPPYTGKV-AWEZNQCLSA-N 2 0 267.417 1.485 10 0 CDAERP CC[C@H](C)C[NH2+]C1(CNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001269493907 903859625 /nfs/dbraw/zinc/85/96/25/903859625.db2.gz HPQDSCMJTSQYRA-STQMWFEESA-N 2 0 269.433 1.611 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@@H](CC[NH2+]CCF)C1)[NH+](C)C ZINC001269740151 904078621 /nfs/dbraw/zinc/07/86/21/904078621.db2.gz CWGRPKZDBYDOKO-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001270113021 904369161 /nfs/dbraw/zinc/36/91/61/904369161.db2.gz NACLTJPXUWBVAQ-KBPBESRZSA-N 2 0 267.417 1.461 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+]CC[C@@H](C)F ZINC001270166357 904409210 /nfs/dbraw/zinc/40/92/10/904409210.db2.gz VCNZBYGLHXBTHL-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CC[C@@H](C)F)[NH+](C)C ZINC001270228429 904458630 /nfs/dbraw/zinc/45/86/30/904458630.db2.gz KYNZVSMXTBEIFD-MGPQQGTHSA-N 2 0 287.423 1.655 10 0 CDAERP C[N@@H+]1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CCC1(C)C ZINC000712677212 904547441 /nfs/dbraw/zinc/54/74/41/904547441.db2.gz GAEFJPXYDIQPNA-OLZOCXBDSA-N 2 0 267.417 1.447 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)N(C)C(=O)CC[NH+](C)C ZINC001482326061 905044950 /nfs/dbraw/zinc/04/49/50/905044950.db2.gz PNKUTLNUEDRBLN-ZDUSSCGKSA-N 2 0 257.422 1.421 10 0 CDAERP CCOCCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001482435427 905403395 /nfs/dbraw/zinc/40/33/95/905403395.db2.gz QFQWDIOSXAXTOR-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP CCOCCC[N@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001482606964 907880836 /nfs/dbraw/zinc/88/08/36/907880836.db2.gz ALLJJMMTDIGKMX-OAHLLOKOSA-N 2 0 299.459 1.288 10 0 CDAERP CC(C)OCC[NH2+][C@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001505685950 908133412 /nfs/dbraw/zinc/13/34/12/908133412.db2.gz JYGLDTFTTZGSDQ-ZIAGYGMSSA-N 2 0 299.459 1.236 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC/C=C\C[NH2+]CC2CCCC2)C1 ZINC001483057762 909186667 /nfs/dbraw/zinc/18/66/67/909186667.db2.gz DWOHWCYDYRDILK-FOSCPCJNSA-N 2 0 293.455 1.780 10 0 CDAERP CC[C@H](F)C[NH2+]CC1CC(NC(=O)CC[NH+](C)C)C1 ZINC001409311354 909749820 /nfs/dbraw/zinc/74/98/20/909749820.db2.gz SHFFYVLHCWRWLG-CPCZMJQVSA-N 2 0 273.396 1.171 10 0 CDAERP C[C@H](C[NH2+]CCC1CC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001483162010 909890809 /nfs/dbraw/zinc/89/08/09/909890809.db2.gz YFKOAEJKVOUKNI-GFCCVEGCSA-N 2 0 267.417 1.223 10 0 CDAERP Cc1ccccc1C[NH2+][C@H](C)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001409415003 910383667 /nfs/dbraw/zinc/38/36/67/910383667.db2.gz QIIMOPBMQRVVTM-HUUCEWRRSA-N 2 0 291.439 1.930 10 0 CDAERP CC(C)CC[N@H+](C)C[C@H](C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001483406688 911071626 /nfs/dbraw/zinc/07/16/26/911071626.db2.gz DWBFAGGMKPANDB-LSDHHAIUSA-N 2 0 283.460 1.811 10 0 CDAERP CC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]1[NH2+]CCOC ZINC001483627534 911990047 /nfs/dbraw/zinc/99/00/47/911990047.db2.gz XXXOEIQUKDZTPQ-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCn3cncc3C2)C1 ZINC001484100502 915434828 /nfs/dbraw/zinc/43/48/28/915434828.db2.gz NIUBEBRPWGYOQM-XJKSGUPXSA-N 2 0 290.411 1.294 10 0 CDAERP CC[N@@H+]1CCC[C@@](C)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001484174408 915490816 /nfs/dbraw/zinc/49/08/16/915490816.db2.gz PNWIRRVSROPOIW-HOCLYGCPSA-N 2 0 281.444 1.566 10 0 CDAERP CCCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001484548730 915878306 /nfs/dbraw/zinc/87/83/06/915878306.db2.gz DUFQLLIVPUDKPK-LSDHHAIUSA-N 2 0 281.444 1.566 10 0 CDAERP CC[N@H+](C)CCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001484742862 916105993 /nfs/dbraw/zinc/10/59/93/916105993.db2.gz QNFVGGQGDCFZEJ-CQSZACIVSA-N 2 0 267.417 1.128 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001485075487 916470523 /nfs/dbraw/zinc/47/05/23/916470523.db2.gz GNZYCSUSYFVDEL-AWEZNQCLSA-N 2 0 267.417 1.415 10 0 CDAERP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001137610902 936373921 /nfs/dbraw/zinc/37/39/21/936373921.db2.gz JPTFAJMXUFXBHW-FQUUOJAGSA-N 2 0 267.417 1.268 10 0 CDAERP CC(C)[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001485302693 916812553 /nfs/dbraw/zinc/81/25/53/916812553.db2.gz NJNUAMVKLSDNEZ-GXTWGEPZSA-N 2 0 267.417 1.173 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)C(C)C ZINC001485323519 916840207 /nfs/dbraw/zinc/84/02/07/916840207.db2.gz PZTLWEWISMIKEJ-CABCVRRESA-N 2 0 283.460 1.952 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001366404701 917392126 /nfs/dbraw/zinc/39/21/26/917392126.db2.gz BRNJXWFWRHQQLL-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP CCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001272781559 919271742 /nfs/dbraw/zinc/27/17/42/919271742.db2.gz HVNHMLMQZKRXIO-GXTWGEPZSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)=CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001272863764 919920961 /nfs/dbraw/zinc/92/09/61/919920961.db2.gz BGCQRNWRYGFCQY-GJZGRUSLSA-N 2 0 281.444 1.921 10 0 CDAERP CC/C=C/CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001490889425 936654512 /nfs/dbraw/zinc/65/45/12/936654512.db2.gz MJMUSDTXAGYONF-PKZVNOGPSA-N 2 0 293.455 1.920 10 0 CDAERP CC/C=C\CC[NH2+][C@H](C)CN(C)C(=O)Cn1cncc1C ZINC001485900010 920589240 /nfs/dbraw/zinc/58/92/40/920589240.db2.gz MRARJAQROZNVGD-LMVHVUTASA-N 2 0 292.427 1.984 10 0 CDAERP CC[C@@H](F)C[NH2+][C@@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001485956671 920607267 /nfs/dbraw/zinc/60/72/67/920607267.db2.gz ZRCYNPRHYRAYAJ-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP CCOCCC[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001486134607 920742607 /nfs/dbraw/zinc/74/26/07/920742607.db2.gz LXENWBYFQMQADG-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001486219060 920828961 /nfs/dbraw/zinc/82/89/61/920828961.db2.gz QMQYEMUKMMATEG-KBPBESRZSA-N 2 0 269.433 1.613 10 0 CDAERP CN(CCC[NH2+]CC1CC(C)(C)C1)C(=O)C[NH+]1CCCC1 ZINC001276386625 936715185 /nfs/dbraw/zinc/71/51/85/936715185.db2.gz HHXAUHMBWRKMPN-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP COC(=O)N1CCC([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000689544338 936765720 /nfs/dbraw/zinc/76/57/20/936765720.db2.gz ALMTYUAIUUTCMF-NWDGAFQWSA-N 2 0 267.373 1.077 10 0 CDAERP CCC[NH2+][C@H]1C[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001490949169 936834856 /nfs/dbraw/zinc/83/48/56/936834856.db2.gz YBULRGFOOIKCFJ-JOCQHMNTSA-N 2 0 255.406 1.365 10 0 CDAERP CC(C)[NH+](CCNC(=O)[C@H]1C[NH2+]CC1(C)C)C(C)C ZINC000711342855 923504645 /nfs/dbraw/zinc/50/46/45/923504645.db2.gz FRKXVCPKSYYJIO-CYBMUJFWSA-N 2 0 269.433 1.467 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001491047253 936846188 /nfs/dbraw/zinc/84/61/88/936846188.db2.gz HCMUEAAUXVWMCJ-YHUYYLMFSA-N 2 0 293.455 1.920 10 0 CDAERP COCCC[NH2+]C[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001491191158 936871565 /nfs/dbraw/zinc/87/15/65/936871565.db2.gz PZSANMNVOBJXAF-OAHLLOKOSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@H]([NH3+])C1CCN(C(=O)[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC001118260100 924058221 /nfs/dbraw/zinc/05/82/21/924058221.db2.gz BWINBKZDCZKEJF-WCFLWFBJSA-N 2 0 253.390 1.090 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001442109307 936974211 /nfs/dbraw/zinc/97/42/11/936974211.db2.gz QMQZGBYMJONMNM-GJZGRUSLSA-N 2 0 299.434 1.657 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001488790638 926717726 /nfs/dbraw/zinc/71/77/26/926717726.db2.gz XUXNMPGZTVYLGS-ZQDZILKHSA-N 2 0 299.434 1.561 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CC1CC(C)(C)C1 ZINC001489288798 926853068 /nfs/dbraw/zinc/85/30/68/926853068.db2.gz MTQXAJRUDQGHED-HIFRSBDPSA-N 2 0 295.471 1.953 10 0 CDAERP CC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H]1C ZINC001489269728 926862376 /nfs/dbraw/zinc/86/23/76/926862376.db2.gz OZPGMWQALZDIFQ-AGIUHOORSA-N 2 0 255.406 1.172 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(C)(C)C ZINC001411208164 927233207 /nfs/dbraw/zinc/23/32/07/927233207.db2.gz GIQDCKKUSKSWHO-UONOGXRCSA-N 2 0 283.460 2.000 10 0 CDAERP C[C@@H](C(=O)NC[C@@H]([NH2+]CCF)C1CC1)[NH+]1CCCCCC1 ZINC001490718320 927299418 /nfs/dbraw/zinc/29/94/18/927299418.db2.gz RNHCEDVQMCWKTB-DZGCQCFKSA-N 2 0 299.434 1.705 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC/C=C/C[NH2+]CCF ZINC001274106188 931171421 /nfs/dbraw/zinc/17/14/21/931171421.db2.gz XELJJYFEUUYSDK-IBUXWKBASA-N 2 0 271.380 1.092 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC/C=C/C[NH2+]C(C)C)C1 ZINC001274297810 931488895 /nfs/dbraw/zinc/48/88/95/931488895.db2.gz JZVHPQQLPRHXHZ-LLYBFZRZSA-N 2 0 281.444 1.779 10 0 CDAERP CCCC[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001274577737 931510009 /nfs/dbraw/zinc/51/00/09/931510009.db2.gz BVIKUCXCUOHBGZ-GFUIURDCSA-N 2 0 253.390 1.000 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001274926393 931610457 /nfs/dbraw/zinc/61/04/57/931610457.db2.gz ZREZRSDISGAZQI-MGPQQGTHSA-N 2 0 292.427 1.664 10 0 CDAERP CCCC[NH2+]CC1CC(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001275243605 931712558 /nfs/dbraw/zinc/71/25/58/931712558.db2.gz WEMVYLQKQDMKGU-UHFFFAOYSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H](CNC(=O)CCC[NH+](C)C)[NH2+]Cc1cncs1 ZINC001441945252 931753533 /nfs/dbraw/zinc/75/35/33/931753533.db2.gz RGPUWTJZZYUGRW-LLVKDONJSA-N 2 0 284.429 1.079 10 0 CDAERP CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1CC ZINC001275730636 931983709 /nfs/dbraw/zinc/98/37/09/931983709.db2.gz VTWMUGIPMGDDTC-OLZOCXBDSA-N 2 0 255.406 1.317 10 0 CDAERP CCOCC[N@H+](C)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001275897679 932117363 /nfs/dbraw/zinc/11/73/63/932117363.db2.gz SGELRAGRTLCUHS-CQSZACIVSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N1CCC[C@@H](n2ccnc2)C1 ZINC001412531070 932472491 /nfs/dbraw/zinc/47/24/91/932472491.db2.gz LJVDVLNNKNONOO-UONOGXRCSA-N 2 0 278.400 1.634 10 0 CDAERP O=C(CC[N@H+]1CC[C@H](F)C1)Nc1ccc2c[nH+]cn2c1 ZINC001412717436 932665048 /nfs/dbraw/zinc/66/50/48/932665048.db2.gz GWQPDMOEINMCIL-NSHDSACASA-N 2 0 276.315 1.707 10 0 CDAERP CCCN(CCC[NH+](C)C)C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC001412840642 934980922 /nfs/dbraw/zinc/98/09/22/934980922.db2.gz OXTZCPPEIIEUAQ-HUUCEWRRSA-N 2 0 299.459 1.022 10 0 CDAERP C[C@H](CC[NH2+]Cc1ccon1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001568698198 1169436122 /nfs/dbraw/zinc/43/61/22/1169436122.db2.gz ASMTUCSYODQYFF-CHWSQXEVSA-N 2 0 294.399 1.001 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[NH+](C(C)C)CC1(C)C ZINC001276622944 940443798 /nfs/dbraw/zinc/44/37/98/940443798.db2.gz BWTQQPPAGGWQCV-ZDUSSCGKSA-N 2 0 269.433 1.563 10 0 CDAERP CCOC(=O)N1CCC([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000405344327 940984485 /nfs/dbraw/zinc/98/44/85/940984485.db2.gz KCHNHHNFDXWOFA-QWHCGFSZSA-N 2 0 281.400 1.467 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)CC[NH+]1CC[C@@H](F)C1 ZINC001362034190 970800720 /nfs/dbraw/zinc/80/07/20/970800720.db2.gz ZGUKOVULRQWGIA-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP CCC[N@@H+]1CC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001276956522 941730919 /nfs/dbraw/zinc/73/09/19/941730919.db2.gz NJYZROUBIQPXPL-CYBMUJFWSA-N 2 0 255.406 1.319 10 0 CDAERP CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001277218128 942186003 /nfs/dbraw/zinc/18/60/03/942186003.db2.gz PBCHEFFKKKCNTC-QWHCGFSZSA-N 2 0 255.406 1.365 10 0 CDAERP C[N@H+](C[C@H](O)CN1CCCC[C@]12CCOC2)C1CC1 ZINC001473895306 970886391 /nfs/dbraw/zinc/88/63/91/970886391.db2.gz GLICBUBAGDDOLZ-LSDHHAIUSA-N 2 0 268.401 1.087 10 0 CDAERP CC[NH2+]C1(CC)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001281036045 942528157 /nfs/dbraw/zinc/52/81/57/942528157.db2.gz HFVSTUZWHVJDSW-UHFFFAOYSA-N 2 0 269.433 1.709 10 0 CDAERP CC[NH2+][C@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001281475914 942582396 /nfs/dbraw/zinc/58/23/96/942582396.db2.gz MXOVXNYMDYWNCA-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP O=C(CCc1c[nH]cn1)NC1(C[NH2+]CCF)CCCCC1 ZINC001282607114 942732408 /nfs/dbraw/zinc/73/24/08/942732408.db2.gz JHHQLWHIYBKOGW-UHFFFAOYSA-N 2 0 296.390 1.721 10 0 CDAERP CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001283043581 942811002 /nfs/dbraw/zinc/81/10/02/942811002.db2.gz VJCMXOPOCHQQQT-KBUPBQIOSA-N 2 0 281.444 1.611 10 0 CDAERP CC[N@H+](C)CCOCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001283422650 942895868 /nfs/dbraw/zinc/89/58/68/942895868.db2.gz PUQATRRDUCFYTA-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)OCCC[NH+]1CCO[C@@H](C)C1 ZINC001263605130 943909021 /nfs/dbraw/zinc/90/90/21/943909021.db2.gz OSRNIPITKOJIDI-GJZGRUSLSA-N 2 0 298.427 1.513 10 0 CDAERP CC(C)[C@H](C(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12)[NH+](C)C ZINC001263995619 944057697 /nfs/dbraw/zinc/05/76/97/944057697.db2.gz HVZYAILNSILCPZ-XJFOESAGSA-N 2 0 267.417 1.029 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCCF)C1 ZINC001264114935 944079410 /nfs/dbraw/zinc/07/94/10/944079410.db2.gz NWPWDIMKPVLZMG-HUUCEWRRSA-N 2 0 299.434 1.801 10 0 CDAERP C[NH2+]C1(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)CCC1 ZINC000386734598 944105326 /nfs/dbraw/zinc/10/53/26/944105326.db2.gz BLZIMASOBUGYDC-LBPRGKRZSA-N 2 0 255.406 1.221 10 0 CDAERP CC[C@H](C(=O)N1CCCCC[C@@H]([NH2+]CCCO)C1)[NH+](C)C ZINC001264677424 944161801 /nfs/dbraw/zinc/16/18/01/944161801.db2.gz ARSLWBJOBQOKST-HUUCEWRRSA-N 2 0 299.459 1.070 10 0 CDAERP COCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001264679448 944161969 /nfs/dbraw/zinc/16/19/69/944161969.db2.gz FMRSQNIDXGDRQE-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP C[N@H+](CCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)CC1CC1 ZINC001265046559 944212158 /nfs/dbraw/zinc/21/21/58/944212158.db2.gz IOZZBMWXFANDLZ-JKSUJKDBSA-N 2 0 293.455 1.851 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]CCC[C@@H](C)O ZINC001278007464 944562550 /nfs/dbraw/zinc/56/25/50/944562550.db2.gz VXDNHTMIYRWFAS-CABCVRRESA-N 2 0 299.459 1.068 10 0 CDAERP CCCCC[NH2+]C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001266028981 944640915 /nfs/dbraw/zinc/64/09/15/944640915.db2.gz HXKAMGZOSSMDPE-HOTGVXAUSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)CC[NH+]2CC[C@@H](F)C2)C[N@@H+]1C1CC1 ZINC001362281098 971112000 /nfs/dbraw/zinc/11/20/00/971112000.db2.gz KUQCNXOEXKJRRY-UPJWGTAASA-N 2 0 283.391 1.162 10 0 CDAERP C[C@H](F)CC[NH2+]C/C=C/CNC(=O)C1CC[NH+](C)CC1 ZINC001568912950 1169546163 /nfs/dbraw/zinc/54/61/63/1169546163.db2.gz SWRRLSMFJLQXMP-OOPCZODUSA-N 2 0 285.407 1.338 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](C[C@@H](C)OC)[C@@H]1CC ZINC001479645157 971356681 /nfs/dbraw/zinc/35/66/81/971356681.db2.gz KNMOFJJVKKFGRW-QLFBSQMISA-N 2 0 299.459 1.332 10 0 CDAERP CC[C@H]1C[N@H+](CC)CCN1C(=O)[C@H](C)CC[NH+](C)C ZINC001569014951 1169594942 /nfs/dbraw/zinc/59/49/42/1169594942.db2.gz SXSVDDPJOHEROE-KGLIPLIRSA-N 2 0 269.433 1.517 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001479972099 971520412 /nfs/dbraw/zinc/52/04/12/971520412.db2.gz ASAJFSGWCQXHBV-HNNXBMFYSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)=CC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001480120289 971585393 /nfs/dbraw/zinc/58/53/93/971585393.db2.gz DPXYMTALMKGAEX-AWEZNQCLSA-N 2 0 277.412 1.239 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCCCCF)C1 ZINC001480211389 971630043 /nfs/dbraw/zinc/63/00/43/971630043.db2.gz RJZCUJXXPCTBHU-QLFBSQMISA-N 2 0 299.434 1.847 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC[C@H]2CCCO2)C1 ZINC001480231447 971640265 /nfs/dbraw/zinc/64/02/65/971640265.db2.gz GENCOOANLPVQDV-QLFBSQMISA-N 2 0 297.443 1.134 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001480232196 971640566 /nfs/dbraw/zinc/64/05/66/971640566.db2.gz KQARSNAXCRQOLO-XDQVBPFNSA-N 2 0 285.407 1.313 10 0 CDAERP CO[C@@H](C)C[NH2+]C1CCC(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001480411198 971706778 /nfs/dbraw/zinc/70/67/78/971706778.db2.gz IEAOCFGSICUTHZ-NFOMZHRRSA-N 2 0 299.459 1.379 10 0 CDAERP Cc1ncsc1C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001480436610 971724606 /nfs/dbraw/zinc/72/46/06/971724606.db2.gz UGUIRINKBYFKSV-JQWIXIFHSA-N 2 0 296.440 1.140 10 0 CDAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1cccnc1 ZINC001480537062 971774074 /nfs/dbraw/zinc/77/40/74/971774074.db2.gz MKRWXNHXTUCSDO-KGLIPLIRSA-N 2 0 290.411 1.018 10 0 CDAERP CC(C)[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001480709143 971847312 /nfs/dbraw/zinc/84/73/12/971847312.db2.gz JGWUOYXIMYSUFE-ZIAGYGMSSA-N 2 0 269.433 1.752 10 0 CDAERP CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1c1nccnc1C[NH3+] ZINC001363752464 953746966 /nfs/dbraw/zinc/74/69/66/953746966.db2.gz ZBAPSZCKXSGPRG-DZGCQCFKSA-N 2 0 289.427 1.634 10 0 CDAERP COCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001493132891 971956844 /nfs/dbraw/zinc/95/68/44/971956844.db2.gz OHJZSQCXTCCEBO-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC[C@H]2C[NH+]3CCC2CC3)C1 ZINC001363838911 953895550 /nfs/dbraw/zinc/89/55/50/953895550.db2.gz OBJLOZZLEJQRKB-HRCADAONSA-N 2 0 293.455 1.565 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NCC[C@H](C)[NH2+]C ZINC001326132916 954230066 /nfs/dbraw/zinc/23/00/66/954230066.db2.gz NJNIEOURLWFNHP-NWDGAFQWSA-N 2 0 258.410 1.014 10 0 CDAERP CCCC[NH2+]CC[C@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001326446154 954385047 /nfs/dbraw/zinc/38/50/47/954385047.db2.gz LSPCBRSEGCVOMD-AWEZNQCLSA-N 2 0 278.400 1.511 10 0 CDAERP CCCC[N@H+](CCC)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001493290379 972010420 /nfs/dbraw/zinc/01/04/20/972010420.db2.gz HBOSHQNBCVIQQP-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP [NH3+]C[C@H]1CCc2ccccc2N1C[C@H]1CCC[NH2+]C1 ZINC001327595722 954953950 /nfs/dbraw/zinc/95/39/50/954953950.db2.gz BNXKWJKAQYGYNW-DZGCQCFKSA-N 2 0 259.397 1.766 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCCC1CCC1 ZINC001491672268 955379794 /nfs/dbraw/zinc/37/97/94/955379794.db2.gz GDWIQUZURKTQMX-ZFWWWQNUSA-N 2 0 281.444 1.613 10 0 CDAERP CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001491792567 955432065 /nfs/dbraw/zinc/43/20/65/955432065.db2.gz WNHAEWXBOHKOTN-CGFBPQRUSA-N 2 0 293.455 1.875 10 0 CDAERP C[N@H+](CC(=O)NC1CC(C[NH2+]CCC2CC2)C1)C1CCC1 ZINC001328869147 955526236 /nfs/dbraw/zinc/52/62/36/955526236.db2.gz KSEQOUNJEWONEA-UHFFFAOYSA-N 2 0 293.455 1.755 10 0 CDAERP CC(C)[C@@H](C(=O)NC1CC(C[NH2+]CCC2CC2)C1)[NH+](C)C ZINC001328875483 955529347 /nfs/dbraw/zinc/52/93/47/955529347.db2.gz HIVHCFSMIFGLFN-GPANFISMSA-N 2 0 295.471 1.857 10 0 CDAERP CC(C)C[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001491965757 955550012 /nfs/dbraw/zinc/55/00/12/955550012.db2.gz SVNUBHIOTBFAKC-OAHLLOKOSA-N 2 0 283.460 1.905 10 0 CDAERP Cc1ccncc1C[NH2+]CCN(C)C(=O)C[N@@H+](C)C(C)C ZINC001493807218 972117286 /nfs/dbraw/zinc/11/72/86/972117286.db2.gz XPURSNZIIQRJTR-UHFFFAOYSA-N 2 0 292.427 1.278 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]([NH2+]CC)C(C)C)C1 ZINC001422115517 955752755 /nfs/dbraw/zinc/75/27/55/955752755.db2.gz CWNABNTYMLXMKF-CABCVRRESA-N 2 0 283.460 1.859 10 0 CDAERP CCC[N@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001492370418 955831053 /nfs/dbraw/zinc/83/10/53/955831053.db2.gz UEUHOGNVSAUVSU-UHFFFAOYSA-N 2 0 255.406 1.319 10 0 CDAERP Cc1nc(C2CC[NH+](C[C@H](O)C(C)(C)O)CC2)[nH]c1C ZINC001365337867 955918743 /nfs/dbraw/zinc/91/87/43/955918743.db2.gz PFZSHXCNBRHTQO-ZDUSSCGKSA-N 2 0 281.400 1.338 10 0 CDAERP Cc1cncc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001422470017 956046852 /nfs/dbraw/zinc/04/68/52/956046852.db2.gz GUPIRBQQNBKJRE-HIFRSBDPSA-N 2 0 290.411 1.079 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](C[NH2+]CCCF)C2)C1 ZINC001317339210 956190440 /nfs/dbraw/zinc/19/04/40/956190440.db2.gz RFTSTEGFEWQOKA-UONOGXRCSA-N 2 0 285.407 1.126 10 0 CDAERP CC[C@@H](C(=O)NC1(C[NH2+]C[C@H](C)O)CCCCC1)[NH+](C)C ZINC001422681952 956250371 /nfs/dbraw/zinc/25/03/71/956250371.db2.gz DSXJILZGXZBLNO-KBPBESRZSA-N 2 0 299.459 1.116 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2C[C@@H]([NH2+]C/C=C/Cl)C2)C1 ZINC001365821711 956388232 /nfs/dbraw/zinc/38/82/32/956388232.db2.gz DEYBDHFCEHYZKR-FKTRPMFESA-N 2 0 299.846 1.565 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)CC1CC1 ZINC001422822938 956388351 /nfs/dbraw/zinc/38/83/51/956388351.db2.gz DDTNJYWHRQORDN-UKRRQHHQSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001365837372 956400351 /nfs/dbraw/zinc/40/03/51/956400351.db2.gz CSCNUHZBSCRLAJ-JHJVBQTASA-N 2 0 273.396 1.171 10 0 CDAERP COCC[N@H+](C)C[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001422891466 956430687 /nfs/dbraw/zinc/43/06/87/956430687.db2.gz MHYOMOFMUBAESH-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP CC[C@H](C(=O)N(C)[C@H](C[NH2+]CC1CCC1)C1CC1)[NH+](C)C ZINC001423008992 956502729 /nfs/dbraw/zinc/50/27/29/956502729.db2.gz UDZYGRKMINOYBN-HZPDHXFCSA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@H](C(=O)N(C)[C@@H](C[NH2+]CC1CCC1)C1CC1)[NH+](C)C ZINC001423008989 956503112 /nfs/dbraw/zinc/50/31/12/956503112.db2.gz UDZYGRKMINOYBN-CVEARBPZSA-N 2 0 295.471 1.953 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001423004759 956504452 /nfs/dbraw/zinc/50/44/52/956504452.db2.gz KUFCMIROKWRLKX-HZPDHXFCSA-N 2 0 293.455 1.898 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H](C[N@H+](C)CCC2CC2)C1 ZINC001366079756 956551107 /nfs/dbraw/zinc/55/11/07/956551107.db2.gz HOJFSFDRFQPLRD-MRXNPFEDSA-N 2 0 295.471 1.909 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]([NH2+]CC2CCC2)C2CC2)C1 ZINC001366080542 956552753 /nfs/dbraw/zinc/55/27/53/956552753.db2.gz SETAJYQWELWKBT-LSDHHAIUSA-N 2 0 279.428 1.223 10 0 CDAERP CC[NH2+]CCCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001569247590 1169734626 /nfs/dbraw/zinc/73/46/26/1169734626.db2.gz VKXBHJBSWGOQDF-UONOGXRCSA-N 2 0 267.417 1.461 10 0 CDAERP Cc1cccc(C[NH2+][C@H](C)CNC(=O)C[N@H+](C)C(C)C)c1 ZINC001366369840 956775185 /nfs/dbraw/zinc/77/51/85/956775185.db2.gz UYLWRHQQKFIHKK-OAHLLOKOSA-N 2 0 291.439 1.930 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001423580324 956874584 /nfs/dbraw/zinc/87/45/84/956874584.db2.gz HJHWTBJKYVIIRG-KRWDZBQOSA-N 2 0 295.471 1.955 10 0 CDAERP O=C(NCC1([NH2+]CC2CC2)CCC1)[C@@]12CC[N@H+](C1)CCC2 ZINC001424202576 957154058 /nfs/dbraw/zinc/15/40/58/957154058.db2.gz DNSWLLZJYYNRGZ-INIZCTEOSA-N 2 0 291.439 1.511 10 0 CDAERP CN(CCC[N@H+](C)C/C=C\Cl)C(=O)C12CC[NH+](CC1)C2 ZINC001424325775 957206960 /nfs/dbraw/zinc/20/69/60/957206960.db2.gz JZIVIQSBBVDGKX-CLTKARDFSA-N 2 0 299.846 1.615 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001317161673 957312687 /nfs/dbraw/zinc/31/26/87/957312687.db2.gz JFRZTOGHGIFABI-AWEZNQCLSA-N 2 0 269.433 1.566 10 0 CDAERP CN(CCF)C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001424707431 957313265 /nfs/dbraw/zinc/31/32/65/957313265.db2.gz PDDBFQDUQZTQST-ZIAGYGMSSA-N 2 0 285.407 1.363 10 0 CDAERP CC[C@H](C(=O)N(C)[C@H]1CC[N@H+](CCCF)C1)[NH+](C)C ZINC001367050386 957370894 /nfs/dbraw/zinc/37/08/94/957370894.db2.gz NERNJTRKZYWWBA-QWHCGFSZSA-N 2 0 273.396 1.219 10 0 CDAERP CCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](CCC[C@H](C)O)C1 ZINC001367065070 957376668 /nfs/dbraw/zinc/37/66/68/957376668.db2.gz AYIRWQIYSDEXNT-GJZGRUSLSA-N 2 0 299.459 1.022 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CC1CCCC1 ZINC001317262964 957386835 /nfs/dbraw/zinc/38/68/35/957386835.db2.gz ALKSMRNRGOHICS-LBPRGKRZSA-N 2 0 255.406 1.223 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](C)CC(C)C)CC[N@@H+]1C ZINC001424954777 957421409 /nfs/dbraw/zinc/42/14/09/957421409.db2.gz ZSDMXDRHFGAQGG-QLFBSQMISA-N 2 0 283.460 1.809 10 0 CDAERP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCCF ZINC001317394077 957450172 /nfs/dbraw/zinc/45/01/72/957450172.db2.gz XQTFPWBZZUIKRV-YNEHKIRRSA-N 2 0 273.396 1.171 10 0 CDAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)C[C@@H]1CCCCO1 ZINC001425083932 957466175 /nfs/dbraw/zinc/46/61/75/957466175.db2.gz YWTUEEMQFQZGRP-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP C[N@H+](CC(=O)N[C@@H]1C[NH+](CC2CC2)CC1(C)C)C1CCC1 ZINC001425291958 957507496 /nfs/dbraw/zinc/50/74/96/957507496.db2.gz VGIKTYPALIMULO-OAHLLOKOSA-N 2 0 293.455 1.707 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[N@H+](CC)CC1(C)C)[NH+](CC)CC ZINC001425298697 957510607 /nfs/dbraw/zinc/51/06/07/957510607.db2.gz AAVIUFBJVBLQIC-KBPBESRZSA-N 2 0 283.460 1.953 10 0 CDAERP CN(CC[NH2+]CCCF)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001317596126 957589002 /nfs/dbraw/zinc/58/90/02/957589002.db2.gz HHOAHFPRRDQZIA-CYBMUJFWSA-N 2 0 273.396 1.268 10 0 CDAERP CN(CC[NH2+]C/C=C\Cl)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001317652675 957624133 /nfs/dbraw/zinc/62/41/33/957624133.db2.gz BWKLPDIAXOCUJK-FHMRSRPSSA-N 2 0 273.808 1.129 10 0 CDAERP CN(CC[NH2+]CCc1cccs1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001317662124 957629483 /nfs/dbraw/zinc/62/94/83/957629483.db2.gz UUAKUBUHFBKRET-ZDUSSCGKSA-N 2 0 295.452 1.290 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]Cc1ccsc1 ZINC001367234205 957868207 /nfs/dbraw/zinc/86/82/07/957868207.db2.gz NKTDHCNMUHEQHA-GXTWGEPZSA-N 2 0 295.452 1.684 10 0 CDAERP CC(C)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001367243222 957873914 /nfs/dbraw/zinc/87/39/14/957873914.db2.gz QLZFXINPYZFION-DZGCQCFKSA-N 2 0 281.444 1.326 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CC[N@@H+](C(C)C)C1)[NH+](CC)CC ZINC001318275563 957998623 /nfs/dbraw/zinc/99/86/23/957998623.db2.gz BBRZZZVENJRULP-UONOGXRCSA-N 2 0 269.433 1.706 10 0 CDAERP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001494849469 972322888 /nfs/dbraw/zinc/32/28/88/972322888.db2.gz ZHWYNLVQJSXYCF-OAHLLOKOSA-N 2 0 295.471 1.907 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH2+]C(C)(C)C)[C@H](C)C1 ZINC001318688626 958234111 /nfs/dbraw/zinc/23/41/11/958234111.db2.gz LHXOGDRELPYLJS-OLZOCXBDSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC1=CC[NH+](CCCF)CC1 ZINC001333458911 958352892 /nfs/dbraw/zinc/35/28/92/958352892.db2.gz VYWSFZPRVOTLBW-UHFFFAOYSA-N 2 0 285.407 1.435 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C[NH2+]CC(C)C)C2CC2)CC[N@@H+]1C ZINC001367887580 958455505 /nfs/dbraw/zinc/45/55/05/958455505.db2.gz OLWNSGABBKZCDN-ARFHVFGLSA-N 2 0 295.471 1.857 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N[C@@H](C[NH2+]CC2CC2)C2CC2)C1 ZINC001367923431 958478138 /nfs/dbraw/zinc/47/81/38/958478138.db2.gz SIXLNUPPDOVQOV-HIFRSBDPSA-N 2 0 279.428 1.223 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1CC[N@@H+]1CC(C)C ZINC001367949743 958509326 /nfs/dbraw/zinc/50/93/26/958509326.db2.gz MVGOKFPTUFNCFT-KBPBESRZSA-N 2 0 287.423 1.513 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2([NH2+]C(C)C)CC2)C1 ZINC001368018638 958582902 /nfs/dbraw/zinc/58/29/02/958582902.db2.gz CLOZMJCCZZPXQX-CQSZACIVSA-N 2 0 281.444 1.755 10 0 CDAERP CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CCC1 ZINC001368486257 958892320 /nfs/dbraw/zinc/89/23/20/958892320.db2.gz KSLGLYDVPXOGLX-UONOGXRCSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001368661378 959024258 /nfs/dbraw/zinc/02/42/58/959024258.db2.gz SVLKTTTWKSCAAA-PBJSTTKNSA-N 2 0 287.835 1.516 10 0 CDAERP CCC[NH2+]C[C@H](O)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001320242587 959025457 /nfs/dbraw/zinc/02/54/57/959025457.db2.gz NJBAETFAJWVFQU-AWEZNQCLSA-N 2 0 299.459 1.116 10 0 CDAERP C[C@H](CC[NH2+]CC1CCC1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001320464178 959187677 /nfs/dbraw/zinc/18/76/77/959187677.db2.gz MYTKOVBVFIUKLR-HIFRSBDPSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H]([NH2+]Cc1cccnc1)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001368885918 959229230 /nfs/dbraw/zinc/22/92/30/959229230.db2.gz PJSVDFLEXBGHLY-KGLIPLIRSA-N 2 0 292.427 1.406 10 0 CDAERP CCN(CC[NH2+]CC1CC1)C(=O)C[N@H+](C)CC(C)(C)C ZINC001320841515 959421254 /nfs/dbraw/zinc/42/12/54/959421254.db2.gz ZKLAKIQYJGYCQE-UHFFFAOYSA-N 2 0 283.460 1.812 10 0 CDAERP C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1C[NH+](CC2CCC2)C1 ZINC001369093335 959454124 /nfs/dbraw/zinc/45/41/24/959454124.db2.gz LESGLDIPPXBFKK-ZFWWWQNUSA-N 2 0 293.455 1.565 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H]2C[NH+](CC)C[C@H]2C1 ZINC001369164159 959496210 /nfs/dbraw/zinc/49/62/10/959496210.db2.gz UEWCIXWKZHYXFG-RBSFLKMASA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)=CC[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC001495209135 972437177 /nfs/dbraw/zinc/43/71/77/972437177.db2.gz IQADPSHPYVOJHS-HNNXBMFYSA-N 2 0 293.455 1.923 10 0 CDAERP CCCCC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001569329107 1169768195 /nfs/dbraw/zinc/76/81/95/1169768195.db2.gz FXXOTXYGMURKFH-LSDHHAIUSA-N 2 0 281.444 1.613 10 0 CDAERP CCC[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001321067666 959573310 /nfs/dbraw/zinc/57/33/10/959573310.db2.gz XDZNENPTXOZVCX-LAYDCRAFSA-N 2 0 267.417 1.389 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCC2CC2)C[C@@H]1C ZINC001369393114 959659772 /nfs/dbraw/zinc/65/97/72/959659772.db2.gz BHTKIFKBNAOPSE-ZFWWWQNUSA-N 2 0 281.444 1.707 10 0 CDAERP CCC[NH+]1CCC([C@@H](C)NC(=O)C[NH+]2CCCC2)CC1 ZINC001369564030 959760302 /nfs/dbraw/zinc/76/03/02/959760302.db2.gz DYQGOZLDDMAJMJ-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001321842317 959979844 /nfs/dbraw/zinc/97/98/44/959979844.db2.gz NRVWBQJFNJQZHP-QWHCGFSZSA-N 2 0 255.406 1.362 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]CCF)CC1 ZINC001322033722 960060375 /nfs/dbraw/zinc/06/03/75/960060375.db2.gz ADATUTFILRVLSD-LBPRGKRZSA-N 2 0 273.396 1.171 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H](C)C[N@@H+](C)CC ZINC001322169504 960119158 /nfs/dbraw/zinc/11/91/58/960119158.db2.gz PUUDTATUPFJGFP-NWDGAFQWSA-N 2 0 261.385 1.123 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001370665071 960178685 /nfs/dbraw/zinc/17/86/85/960178685.db2.gz KQXWUPRQDWCFQO-GASCZTMLSA-N 2 0 293.455 1.755 10 0 CDAERP CO[C@H](C)C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001322505497 960243575 /nfs/dbraw/zinc/24/35/75/960243575.db2.gz KXPQCLXZHDXKKQ-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]C/C=C\Cl)C1CC1 ZINC001323046796 960419610 /nfs/dbraw/zinc/41/96/10/960419610.db2.gz JRQUOROKMRKRME-KRAPLUKQSA-N 2 0 285.819 1.318 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)NC[C@H]2CCC[NH+](C)C2)C1 ZINC001433669134 960501985 /nfs/dbraw/zinc/50/19/85/960501985.db2.gz FFRIIOBYZUBUMG-CABCVRRESA-N 2 0 281.444 1.565 10 0 CDAERP CN(C(=O)CC[NH+]1CC[C@@H](F)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001433979174 960838382 /nfs/dbraw/zinc/83/83/82/960838382.db2.gz JSWLJBVQPYWUHX-JKXDFHQYSA-N 2 0 297.418 1.504 10 0 CDAERP CC(C)[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001418733415 960953490 /nfs/dbraw/zinc/95/34/90/960953490.db2.gz NVFDBUOCEVZAJX-SOUVJXGZSA-N 2 0 281.444 1.611 10 0 CDAERP CC[C@@H](C)C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001418763420 960993845 /nfs/dbraw/zinc/99/38/45/960993845.db2.gz LDDLWSLRIAKXMU-IIAWOOMASA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CCOC)[C@@H]1C)[NH+](CC)CC ZINC001418813614 961056266 /nfs/dbraw/zinc/05/62/66/961056266.db2.gz ZWEBYTLCCUATOS-QLFBSQMISA-N 2 0 299.459 1.332 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CC[C@H](CCNC(=O)Cc2c[nH]cn2)C1 ZINC001418903034 961149690 /nfs/dbraw/zinc/14/96/90/961149690.db2.gz CRJMNSJSCBCPRK-QWHCGFSZSA-N 2 0 296.390 1.529 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001418915786 961156583 /nfs/dbraw/zinc/15/65/83/961156583.db2.gz AUOQDXUNZMKJCT-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP CC[C@H](C(=O)NCC1C[NH+](CCCC(C)C)C1)[NH+](C)C ZINC001419020971 961272836 /nfs/dbraw/zinc/27/28/36/961272836.db2.gz RTCNXMHBCCZLIL-OAHLLOKOSA-N 2 0 283.460 1.811 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[C@H]3C[NH+](C)C[C@@H]32)CC[N@@H+]1C ZINC001434419884 961341109 /nfs/dbraw/zinc/34/11/09/961341109.db2.gz WWIOZVQFQCBZHR-BTFPBAQTSA-N 2 0 279.428 1.173 10 0 CDAERP c1cc(NCC2([NH+]3CCCC3)CCOCC2)cc[nH+]1 ZINC001337710287 961377196 /nfs/dbraw/zinc/37/71/96/961377196.db2.gz UBXURNWPITWCQJ-UHFFFAOYSA-N 2 0 261.369 1.560 10 0 CDAERP CCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001419153318 961434874 /nfs/dbraw/zinc/43/48/74/961434874.db2.gz YZUZBBXVUUGNCU-OAHLLOKOSA-N 2 0 283.460 1.905 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1nccs1 ZINC001419279447 961578921 /nfs/dbraw/zinc/57/89/21/961578921.db2.gz GTWGDDPLBLYRBG-NEPJUHHUSA-N 2 0 296.440 1.079 10 0 CDAERP C[NH+](C)CCC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@@H+]1CCF ZINC001419624078 961880637 /nfs/dbraw/zinc/88/06/37/961880637.db2.gz IUTIXTDDAVJVHU-HUUCEWRRSA-N 2 0 299.434 1.753 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC1CCCC1 ZINC001419778478 962103119 /nfs/dbraw/zinc/10/31/19/962103119.db2.gz RERBWBQWJBPYEA-DZGCQCFKSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001419785185 962105507 /nfs/dbraw/zinc/10/55/07/962105507.db2.gz AXENCDFQHHMJMC-CABCVRRESA-N 2 0 283.460 1.715 10 0 CDAERP CCCC[N@H+](C)[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001420037496 962405757 /nfs/dbraw/zinc/40/57/57/962405757.db2.gz HXGUELFDRGJWDD-HNNXBMFYSA-N 2 0 293.455 1.805 10 0 CDAERP CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001436946730 962517014 /nfs/dbraw/zinc/51/70/14/962517014.db2.gz UGWWHDWWSSLLLI-CABCVRRESA-N 2 0 281.444 1.659 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001436954224 962522838 /nfs/dbraw/zinc/52/28/38/962522838.db2.gz UVVNSPVMSTVLCI-ITZSHIHRSA-N 2 0 299.846 1.849 10 0 CDAERP CC(C)C[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001436978044 962536465 /nfs/dbraw/zinc/53/64/65/962536465.db2.gz LMBPLXQQFHEURD-XUWVNRHRSA-N 2 0 295.471 1.857 10 0 CDAERP C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cccnc1 ZINC001437421514 962874692 /nfs/dbraw/zinc/87/46/92/962874692.db2.gz JPVDHNQSINBEBT-ZFWWWQNUSA-N 2 0 290.411 1.018 10 0 CDAERP CC[N@H+](CCNC(=O)Cn1ccnc1)CC[C@H](C)F ZINC001420454018 962923400 /nfs/dbraw/zinc/92/34/00/962923400.db2.gz PVQQQRJHXHNOBO-LBPRGKRZSA-N 2 0 270.352 1.069 10 0 CDAERP CC(C)C[N@H+](C)CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001437487628 962949206 /nfs/dbraw/zinc/94/92/06/962949206.db2.gz WORXHZNZEHBRRB-LSDHHAIUSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1ccccn1 ZINC001420520863 963001185 /nfs/dbraw/zinc/00/11/85/963001185.db2.gz WRSWNIQIEUYSAI-ZDUSSCGKSA-N 2 0 278.400 1.016 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001420536928 963028992 /nfs/dbraw/zinc/02/89/92/963028992.db2.gz GFZFNNHLJOTMPX-HZPDHXFCSA-N 2 0 295.471 1.812 10 0 CDAERP CC[C@@H](C[N@@H+]1CC[C@H](CNC(=O)C[NH+](C)C(C)C)C1)OC ZINC001420556499 963055337 /nfs/dbraw/zinc/05/53/37/963055337.db2.gz LOTBBHXJLUSFLR-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP C[N@H+](CCCF)C[C@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001438003860 963282283 /nfs/dbraw/zinc/28/22/83/963282283.db2.gz WVZRWTSEGPESJL-LSDHHAIUSA-N 2 0 299.434 1.468 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+]2CCC2CC2)C1 ZINC001420858702 963309532 /nfs/dbraw/zinc/30/95/32/963309532.db2.gz PVQOZEVXMRHSBG-UKRRQHHQSA-N 2 0 279.428 1.319 10 0 CDAERP CCCC[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001420954509 963381570 /nfs/dbraw/zinc/38/15/70/963381570.db2.gz ZUPLGVGOALUHMF-CVEARBPZSA-N 2 0 295.471 1.909 10 0 CDAERP C[NH+](C)CCC(=O)NCC1([NH2+]CCc2ccccc2)CC1 ZINC001420967551 963391894 /nfs/dbraw/zinc/39/18/94/963391894.db2.gz HEAUHNPVAGETPP-UHFFFAOYSA-N 2 0 289.423 1.419 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+]Cc1ccccc1F ZINC001438515924 963474283 /nfs/dbraw/zinc/47/42/83/963474283.db2.gz DCFGPUZRUFZPEA-ZDUSSCGKSA-N 2 0 295.402 1.619 10 0 CDAERP Cc1ncccc1C[NH2+]C[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001438525870 963478145 /nfs/dbraw/zinc/47/81/45/963478145.db2.gz YDGPZOKRQJOPMM-CYBMUJFWSA-N 2 0 292.427 1.184 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001421212590 963501639 /nfs/dbraw/zinc/50/16/39/963501639.db2.gz VMQJMHOQPJYJKE-TZMCWYRMSA-N 2 0 273.396 1.267 10 0 CDAERP C[C@H](C[NH2+]CC1CC(F)(F)C1)N(C)C(=O)CC[NH+](C)C ZINC001438697189 963526298 /nfs/dbraw/zinc/52/62/98/963526298.db2.gz XOUVJMUQFKLJAF-LLVKDONJSA-N 2 0 291.386 1.420 10 0 CDAERP CCC(CC)C[NH2+]C[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001439253047 963691419 /nfs/dbraw/zinc/69/14/19/963691419.db2.gz LGCQTLCPJRIZQL-KGLIPLIRSA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)CCC[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001439755523 963852857 /nfs/dbraw/zinc/85/28/57/963852857.db2.gz QPUJUNZKDHNQTD-CQSZACIVSA-N 2 0 281.444 1.517 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]C/C=C\Cl)C2)C1 ZINC001440404209 964021014 /nfs/dbraw/zinc/02/10/14/964021014.db2.gz CRCBVSJOFVFNNL-JISAVYQWSA-N 2 0 299.846 1.565 10 0 CDAERP CC[N@@H+]1CCOC2(CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001440691150 964134663 /nfs/dbraw/zinc/13/46/63/964134663.db2.gz LAMZEFIPKKEUQS-UHFFFAOYSA-N 2 0 297.443 1.040 10 0 CDAERP C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)[NH2+]CCF ZINC001440798349 964186633 /nfs/dbraw/zinc/18/66/33/964186633.db2.gz JSKVFKIFYKEVBI-QWHCGFSZSA-N 2 0 285.407 1.315 10 0 CDAERP C[N@H+](CCF)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001441271895 964443288 /nfs/dbraw/zinc/44/32/88/964443288.db2.gz ATZVGLJTETYIIJ-KBPBESRZSA-N 2 0 285.407 1.221 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC[NH+]2CCCCC2)C1 ZINC001441351764 964469415 /nfs/dbraw/zinc/46/94/15/964469415.db2.gz ZQRUXQNWTOUOHQ-HUUCEWRRSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001441384502 964490137 /nfs/dbraw/zinc/49/01/37/964490137.db2.gz KXUSSJZLSOYHNQ-JHJVBQTASA-N 2 0 285.407 1.456 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]C/C=C\Cl)[C@H]1C ZINC001441830487 964736355 /nfs/dbraw/zinc/73/63/55/964736355.db2.gz XNJVNZVDDLSYCU-XHSUHYBKSA-N 2 0 287.835 1.658 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@@]12CCC[C@@H]1[N@H+](CC)CC2 ZINC001441876663 964763421 /nfs/dbraw/zinc/76/34/21/964763421.db2.gz RVRIBAYKIHRLBV-OFQRWUPVSA-N 2 0 299.434 1.799 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+][C@H](C)c1ccc(F)cc1 ZINC001441943647 964801506 /nfs/dbraw/zinc/80/15/06/964801506.db2.gz UHYNWHMMEWZNPR-CHWSQXEVSA-N 2 0 295.402 1.933 10 0 CDAERP CC(C)[C@@H](C(=O)NCC[N@H+](C)CCC1CC1)[NH+]1CCCC1 ZINC001442620436 965139606 /nfs/dbraw/zinc/13/96/06/965139606.db2.gz NNZIJRUZJBUVAK-INIZCTEOSA-N 2 0 295.471 1.955 10 0 CDAERP CO[C@H](C)C[N@H+](C)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001443357945 965452168 /nfs/dbraw/zinc/45/21/68/965452168.db2.gz FGNXUDULYOMRQT-CQSZACIVSA-N 2 0 299.459 1.143 10 0 CDAERP C[NH+](C)CCCC(=O)NC1C[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC001443513367 965498305 /nfs/dbraw/zinc/49/83/05/965498305.db2.gz RVUXYMVHCHYVLA-QLFBSQMISA-N 2 0 293.455 1.565 10 0 CDAERP CC[C@H](C)C[NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001444928609 966007378 /nfs/dbraw/zinc/00/73/78/966007378.db2.gz DCAHVVWHGCYRNT-LSDHHAIUSA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)C[NH2+]CC(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC001349420304 966344267 /nfs/dbraw/zinc/34/42/67/966344267.db2.gz ILXGKAFKVDOSEB-ZIAGYGMSSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@H+](C)Cc1cccnc1 ZINC001445866176 966372408 /nfs/dbraw/zinc/37/24/08/966372408.db2.gz DGCDUXASAPGIFK-AWEZNQCLSA-N 2 0 292.427 1.358 10 0 CDAERP CCCCCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H]2C[NH+](C)C[C@H]12 ZINC001349780634 966468071 /nfs/dbraw/zinc/46/80/71/966468071.db2.gz YKLBNJBVGWGEJC-OWCLPIDISA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCC[NH+]1CCCC1 ZINC001447049158 966687200 /nfs/dbraw/zinc/68/72/00/966687200.db2.gz WTOPXJPDYBRMHV-JKSUJKDBSA-N 2 0 293.455 1.948 10 0 CDAERP CC(C)CC[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001448089642 966993343 /nfs/dbraw/zinc/99/33/43/966993343.db2.gz DYTJBMMQPNSNAZ-HUUCEWRRSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+](C(C)C)C1 ZINC001542947665 967256047 /nfs/dbraw/zinc/25/60/47/967256047.db2.gz NOTDIRSFMBACNX-CQSZACIVSA-N 2 0 269.433 1.563 10 0 CDAERP CC[NH+](CC)CC(=O)N1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001353371004 967930769 /nfs/dbraw/zinc/93/07/69/967930769.db2.gz UCMKGPRYFWZBFD-UHFFFAOYSA-N 2 0 269.433 1.707 10 0 CDAERP Cc1ccc(C[NH2+][C@H](C)CNC(=O)CC[NH+](C)C)cc1 ZINC001480530617 968114166 /nfs/dbraw/zinc/11/41/66/968114166.db2.gz KSWAESWVFRJKGH-CQSZACIVSA-N 2 0 277.412 1.541 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001452729074 968166902 /nfs/dbraw/zinc/16/69/02/968166902.db2.gz RKXCXZAREHQQTJ-ZNMIVQPWSA-N 2 0 283.460 1.809 10 0 CDAERP C[NH+](C)[C@@H]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C12CCC2 ZINC001454180778 968439980 /nfs/dbraw/zinc/43/99/80/968439980.db2.gz UXQJDVCPJMNJHR-ZIAGYGMSSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)[C@H](C)CC[NH+](C)C ZINC001456214506 968902929 /nfs/dbraw/zinc/90/29/29/968902929.db2.gz KLWYSDZJJHTTSR-HUUCEWRRSA-N 2 0 283.460 1.763 10 0 CDAERP CO[C@@H]1CC[C@@H]([NH+]2CCC(O)(C[NH+]3CCCCC3)CC2)C1 ZINC001460935986 969567672 /nfs/dbraw/zinc/56/76/72/969567672.db2.gz ATPZUZNPGXDKFW-HZPDHXFCSA-N 2 0 296.455 1.867 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)NCCC2CC[NH+](C)CC2)C1 ZINC001464725235 969810363 /nfs/dbraw/zinc/81/03/63/969810363.db2.gz JVJANPRRTIZBHM-MRXNPFEDSA-N 2 0 295.471 1.955 10 0 CDAERP C[N@H+](CCNC(=O)CC[NH+]1CC[C@H](F)C1)C1CCCC1 ZINC001361948839 970706991 /nfs/dbraw/zinc/70/69/91/970706991.db2.gz YINJSCRLUWMQGQ-ZDUSSCGKSA-N 2 0 285.407 1.411 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]C/C=C\Cl)C1 ZINC001371514875 972536666 /nfs/dbraw/zinc/53/66/66/972536666.db2.gz OZOQPCDBQITDLG-CZESERPMSA-N 2 0 285.819 1.414 10 0 CDAERP CC/C=C/CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001495591536 972547188 /nfs/dbraw/zinc/54/71/88/972547188.db2.gz MJVFKLCCPHHZHL-FZZYSBJUSA-N 2 0 293.455 1.875 10 0 CDAERP CC/C=C\CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001495591538 972547938 /nfs/dbraw/zinc/54/79/38/972547938.db2.gz MJVFKLCCPHHZHL-KSLSASGISA-N 2 0 293.455 1.875 10 0 CDAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CCF ZINC001495753488 972622523 /nfs/dbraw/zinc/62/25/23/972622523.db2.gz NTSKIFXITPGFAU-KBPBESRZSA-N 2 0 287.423 1.561 10 0 CDAERP C[C@@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CCC1CC1 ZINC001371830332 972652410 /nfs/dbraw/zinc/65/24/10/972652410.db2.gz GLLXTICRVJXGSB-KBPBESRZSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1 ZINC001371878075 972668210 /nfs/dbraw/zinc/66/82/10/972668210.db2.gz JIMUVFRNFCACSG-GOEBONIOSA-N 2 0 289.423 1.623 10 0 CDAERP C[C@H](C[NH2+]CC1CC1)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001496081237 972788431 /nfs/dbraw/zinc/78/84/31/972788431.db2.gz SWVHHZZYBMSUHT-HIFRSBDPSA-N 2 0 281.444 1.707 10 0 CDAERP CCC[N@H+](C)CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001372109525 972795110 /nfs/dbraw/zinc/79/51/10/972795110.db2.gz OHYYJRLRRIDBBR-HNNXBMFYSA-N 2 0 287.423 1.657 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)CC1CC1 ZINC001372152922 972817932 /nfs/dbraw/zinc/81/79/32/972817932.db2.gz GBQNARUATYKMRW-LSDHHAIUSA-N 2 0 279.428 1.461 10 0 CDAERP CO[C@@H](C)C[N@@H+]1CC[C@](C)(NC(=O)CCCC[NH+](C)C)C1 ZINC001569650857 1169953856 /nfs/dbraw/zinc/95/38/56/1169953856.db2.gz JQBHXCPHWZEVHW-HOCLYGCPSA-N 2 0 299.459 1.334 10 0 CDAERP COCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001496388114 972907822 /nfs/dbraw/zinc/90/78/22/972907822.db2.gz GPKHFSGLRGQQLO-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)co1 ZINC001497241156 973257623 /nfs/dbraw/zinc/25/76/23/973257623.db2.gz LVQVPQLJZXFTKP-BXUZGUMPSA-N 2 0 294.399 1.062 10 0 CDAERP C[N@H+](C/C=C\Cl)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001373308247 973356940 /nfs/dbraw/zinc/35/69/40/973356940.db2.gz BAWZWSMUGFMOLZ-VOIRRYAFSA-N 2 0 299.846 1.471 10 0 CDAERP CCN(CC[NH2+]CCCO)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001497463301 973357538 /nfs/dbraw/zinc/35/75/38/973357538.db2.gz COUGUURXWGJUTH-HNNXBMFYSA-N 2 0 299.459 1.071 10 0 CDAERP CC(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001417810899 973399090 /nfs/dbraw/zinc/39/90/90/973399090.db2.gz DFWQCNDPAMMSAO-ARFHVFGLSA-N 2 0 295.471 1.859 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@H]1C ZINC001417851742 973418355 /nfs/dbraw/zinc/41/83/55/973418355.db2.gz MDRTWEUCRCAEDN-ZNMIVQPWSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC/C=C\C[NH2+]CC1CCC1 ZINC001497764657 973490189 /nfs/dbraw/zinc/49/01/89/973490189.db2.gz QAETWFPKLTWVPR-JQBDECOXSA-N 2 0 293.455 1.921 10 0 CDAERP C[C@H](C[NH2+]Cc1ccsc1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001497798143 973517135 /nfs/dbraw/zinc/51/71/35/973517135.db2.gz SEOQJOAGOUAIEH-YPMHNXCESA-N 2 0 281.425 1.437 10 0 CDAERP C[N@H+](CCF)C[C@@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001418025004 973534953 /nfs/dbraw/zinc/53/49/53/973534953.db2.gz YMNIGWHZPQLAKE-GJZGRUSLSA-N 2 0 299.434 1.468 10 0 CDAERP C[C@H](C[NH2+]C/C=C\Cl)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001497818913 973536712 /nfs/dbraw/zinc/53/67/12/973536712.db2.gz YFDNUSNRXHYHQU-HSBNTGJMSA-N 2 0 273.808 1.173 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001418064457 973562861 /nfs/dbraw/zinc/56/28/61/973562861.db2.gz MTAAHNNJGYGGLC-UBHSHLNASA-N 2 0 285.407 1.313 10 0 CDAERP C[NH+](C)CCCC(=O)N1CCC[C@@H]2C[N@H+](CCF)CC[C@H]21 ZINC001418084044 973572124 /nfs/dbraw/zinc/57/21/24/973572124.db2.gz WEBDNYPIMVLWMH-HUUCEWRRSA-N 2 0 299.434 1.611 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CCC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001418141912 973607353 /nfs/dbraw/zinc/60/73/53/973607353.db2.gz ZTPOHIOXYBLLJI-CABCVRRESA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001418164079 973617828 /nfs/dbraw/zinc/61/78/28/973617828.db2.gz QBFDGOHCYOELKJ-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001498043990 973644519 /nfs/dbraw/zinc/64/45/19/973644519.db2.gz PKXCNCSDPXMVCJ-ZDUSSCGKSA-N 2 0 269.433 1.755 10 0 CDAERP C[C@@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001498159599 973719687 /nfs/dbraw/zinc/71/96/87/973719687.db2.gz HDDWFMHWUCLHRV-KBPBESRZSA-N 2 0 295.471 1.859 10 0 CDAERP CCC/C=C/CC[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001498190682 973733056 /nfs/dbraw/zinc/73/30/56/973733056.db2.gz RLTVDOMXWWPWRX-KXLSMFKISA-N 2 0 281.444 1.779 10 0 CDAERP CN(CC1C[NH+](C)C1)C(=O)c1cccc(CC[NH+](C)C)c1 ZINC001418366882 973770553 /nfs/dbraw/zinc/77/05/53/973770553.db2.gz HJPSSWWUNVHZMF-UHFFFAOYSA-N 2 0 289.423 1.424 10 0 CDAERP Cc1ncc(C[NH2+][C@@H](C)CCNC(=O)C[N@H+](C)C(C)C)o1 ZINC001418440294 973832691 /nfs/dbraw/zinc/83/26/91/973832691.db2.gz FWJRKZFWXFONQK-LBPRGKRZSA-N 2 0 296.415 1.308 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)CC1CCC1 ZINC001418461518 973865945 /nfs/dbraw/zinc/86/59/45/973865945.db2.gz NAHJGKXKAHQXHP-HNNXBMFYSA-N 2 0 279.428 1.176 10 0 CDAERP CCC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC001374432319 973940685 /nfs/dbraw/zinc/94/06/85/973940685.db2.gz OVUJTVKGRKGBBR-KKUMJFAQSA-N 2 0 283.460 1.857 10 0 CDAERP CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]CCCOC ZINC001498897614 974098418 /nfs/dbraw/zinc/09/84/18/974098418.db2.gz HJFMBGXPDHMUOK-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@H](C[NH2+]CC1CCCCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001374848392 974147743 /nfs/dbraw/zinc/14/77/43/974147743.db2.gz VECIBEZCGKVSET-UKRRQHHQSA-N 2 0 281.444 1.613 10 0 CDAERP CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001375315408 974328906 /nfs/dbraw/zinc/32/89/06/974328906.db2.gz SSCPFEXPRGFCBU-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP COCCCC[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001500292183 974416912 /nfs/dbraw/zinc/41/69/12/974416912.db2.gz GKUBYLUXRFQZQZ-INIZCTEOSA-N 2 0 299.459 1.334 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@@](C)(C[NH2+]CCCF)C1 ZINC001500396438 974430621 /nfs/dbraw/zinc/43/06/21/974430621.db2.gz CPDGNSKSKALFLF-HNNXBMFYSA-N 2 0 287.423 1.516 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001375660357 974447779 /nfs/dbraw/zinc/44/77/79/974447779.db2.gz PKJRZUXTVHCQOR-UPJWGTAASA-N 2 0 273.396 1.265 10 0 CDAERP CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001501070658 974526305 /nfs/dbraw/zinc/52/63/05/974526305.db2.gz ICIFBJMOKONVME-STQMWFEESA-N 2 0 255.406 1.175 10 0 CDAERP C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C[NH2+]CC1CC1 ZINC001501133219 974539838 /nfs/dbraw/zinc/53/98/38/974539838.db2.gz UMPOUODJKYIESJ-DZGCQCFKSA-N 2 0 281.444 1.422 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]([NH2+]CCC(C)(C)C)C2CC2)C1 ZINC001376259672 974615708 /nfs/dbraw/zinc/61/57/08/974615708.db2.gz BPKVXLMSCHIBNO-CABCVRRESA-N 2 0 295.471 1.859 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCF ZINC001376520300 974680453 /nfs/dbraw/zinc/68/04/53/974680453.db2.gz VMWNGCDLCZAVAC-KBPBESRZSA-N 2 0 285.407 1.363 10 0 CDAERP C[C@@H](F)CC[NH2+]C1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001376672284 974707423 /nfs/dbraw/zinc/70/74/23/974707423.db2.gz VINFKEUFKXEPET-WLYUNCDWSA-N 2 0 299.434 1.847 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCc1cccs1 ZINC001376875383 974798693 /nfs/dbraw/zinc/79/86/93/974798693.db2.gz GNGCESNWZNUUEV-STQMWFEESA-N 2 0 295.452 1.337 10 0 CDAERP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC[C@@H]1CCCCO1 ZINC001376885203 974802873 /nfs/dbraw/zinc/80/28/73/974802873.db2.gz QMCVXNBHGKJZKY-CABCVRRESA-N 2 0 297.443 1.136 10 0 CDAERP C[C@@H](F)CC[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001376985537 974838007 /nfs/dbraw/zinc/83/80/07/974838007.db2.gz ZILUNSIEQLPWPP-KGLIPLIRSA-N 2 0 287.423 1.609 10 0 CDAERP C[C@@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC1CCCC1 ZINC001377099981 974880702 /nfs/dbraw/zinc/88/07/02/974880702.db2.gz LSNXOFQBHXIELH-AWEZNQCLSA-N 2 0 293.455 1.757 10 0 CDAERP C[C@H](NC(=O)C1([NH+](C)C)CCC1)[C@H](C)[NH2+]C/C=C/Cl ZINC001505621279 974939897 /nfs/dbraw/zinc/93/98/97/974939897.db2.gz FOWFGQJTNQLUFZ-PLEIZWCUSA-N 2 0 287.835 1.706 10 0 CDAERP CC[C@@H](C)C[N@H+](CC)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001377334392 974979797 /nfs/dbraw/zinc/97/97/97/974979797.db2.gz DIBKLALZPDURKD-HUUCEWRRSA-N 2 0 283.460 1.812 10 0 CDAERP C[N@H+](CCF)C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001377770591 975133520 /nfs/dbraw/zinc/13/35/20/975133520.db2.gz NEHQXKVVEVZWOH-AWEZNQCLSA-N 2 0 299.434 1.611 10 0 CDAERP C[C@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)[NH2+]CCC1CC1 ZINC001377884214 975165468 /nfs/dbraw/zinc/16/54/68/975165468.db2.gz OUXBVLZFFROGGF-STQMWFEESA-N 2 0 279.428 1.365 10 0 CDAERP CC(C)C[N@H+](C)[C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001378076426 975232119 /nfs/dbraw/zinc/23/21/19/975232119.db2.gz UMGOVUJMOPGPRH-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](F)CC[NH2+]CCC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001506946686 975270217 /nfs/dbraw/zinc/27/02/17/975270217.db2.gz NRULFYRQBDTBPP-KBPBESRZSA-N 2 0 299.434 1.705 10 0 CDAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)N(C)C/C=C/Cl ZINC001378180471 975273638 /nfs/dbraw/zinc/27/36/38/975273638.db2.gz DTFCYRHGASRWFJ-MJRJWQSSSA-N 2 0 285.819 1.271 10 0 CDAERP CCN(C(=O)C[NH+]1CC[C@H](C)C1)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001378205401 975286094 /nfs/dbraw/zinc/28/60/94/975286094.db2.gz ZFNKIFDESQBQCO-HOTGVXAUSA-N 2 0 295.471 1.907 10 0 CDAERP CC[C@H](C)C[NH2+][C@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001507116614 975342072 /nfs/dbraw/zinc/34/20/72/975342072.db2.gz CRRUKDUWSQMREW-UONOGXRCSA-N 2 0 283.460 1.811 10 0 CDAERP CC[C@H](F)C[NH2+][C@H](C)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001507117017 975343758 /nfs/dbraw/zinc/34/37/58/975343758.db2.gz IPFLOEXSTXMZQT-OLZOCXBDSA-N 2 0 287.423 1.513 10 0 CDAERP CC[NH2+]C1(CNC(=O)C23CCC[NH+](CCC2)C3)CCCC1 ZINC001378688546 975444484 /nfs/dbraw/zinc/44/44/84/975444484.db2.gz IDDUXNAXVYYTID-UHFFFAOYSA-N 2 0 293.455 1.901 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001404652668 975450298 /nfs/dbraw/zinc/45/02/98/975450298.db2.gz FYKWZYNUOQNCLB-HZSPNIEDSA-N 2 0 285.407 1.409 10 0 CDAERP O=C(N[C@@H]1CC[C@H](C[NH2+]CCF)C1)C12CCC[NH+]1CCC2 ZINC001507400096 975454430 /nfs/dbraw/zinc/45/44/30/975454430.db2.gz CHEKDKFNURIJHM-UONOGXRCSA-N 2 0 297.418 1.459 10 0 CDAERP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C ZINC001507442433 975472544 /nfs/dbraw/zinc/47/25/44/975472544.db2.gz HLOJLVAMYWJSAK-UONOGXRCSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@H](C[NH2+]CC1CCCC1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001378815688 975501968 /nfs/dbraw/zinc/50/19/68/975501968.db2.gz VKPWQTPOKQCVTE-CQSZACIVSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001508016384 975576221 /nfs/dbraw/zinc/57/62/21/975576221.db2.gz SILJZZRRSJVJQR-QWHCGFSZSA-N 2 0 289.439 1.807 10 0 CDAERP CCCC[N@H+](C)CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001379037864 975615245 /nfs/dbraw/zinc/61/52/45/975615245.db2.gz DYASZKBKIJSGGM-OAHLLOKOSA-N 2 0 281.444 1.519 10 0 CDAERP CN(CC[N@H+](C)CCC1CC1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001401365570 975620127 /nfs/dbraw/zinc/62/01/27/975620127.db2.gz AWASLXGJYVFICJ-MRXNPFEDSA-N 2 0 293.455 1.519 10 0 CDAERP CCC[N@@H+]1CC[C@H](N(CC)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001405185675 975664131 /nfs/dbraw/zinc/66/41/31/975664131.db2.gz PBOFDHVDFCYZBU-GJZGRUSLSA-N 2 0 281.444 1.661 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001397695251 975682559 /nfs/dbraw/zinc/68/25/59/975682559.db2.gz XQONXMFHEBXLEK-KBUPBQIOSA-N 2 0 299.434 1.561 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC1CC1 ZINC001379166500 975698309 /nfs/dbraw/zinc/69/83/09/975698309.db2.gz HCSBLJQECQAVEM-LSDHHAIUSA-N 2 0 281.444 1.611 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCCCC[C@@H]([NH2+]C[C@H](C)O)C1 ZINC001397782480 975717290 /nfs/dbraw/zinc/71/72/90/975717290.db2.gz ZXVNFKOCFPZGMS-LSDHHAIUSA-N 2 0 299.459 1.070 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccccc1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001379594710 975943420 /nfs/dbraw/zinc/94/34/20/975943420.db2.gz CNWJBAGWEGHKIH-DZGCQCFKSA-N 2 0 275.396 1.233 10 0 CDAERP C[C@@H](F)CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001401953898 976039621 /nfs/dbraw/zinc/03/96/21/976039621.db2.gz WUXUIULUBOCDGQ-CHWSQXEVSA-N 2 0 285.407 1.457 10 0 CDAERP O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@@H]([NH2+]CC2CC2)C1 ZINC001390035163 976093956 /nfs/dbraw/zinc/09/39/56/976093956.db2.gz OSTIIDRBCHTPKJ-GASCZTMLSA-N 2 0 279.428 1.509 10 0 CDAERP CC[C@@H](C)C[NH+]1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001402043953 976095938 /nfs/dbraw/zinc/09/59/38/976095938.db2.gz QPSBPCFIIBYOMD-CQSZACIVSA-N 2 0 283.460 1.907 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001398668038 976100543 /nfs/dbraw/zinc/10/05/43/976100543.db2.gz DOZIQNJREWHCGX-APIJFGDWSA-N 2 0 283.460 1.856 10 0 CDAERP CCC(CC)C[N@@H+]1CC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001380024579 976193940 /nfs/dbraw/zinc/19/39/40/976193940.db2.gz MIIPPYDWXPAAPZ-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC[C@@H](C)F)C1 ZINC001402463049 976295114 /nfs/dbraw/zinc/29/51/14/976295114.db2.gz NPGTZLKUEAYLIN-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CCC2CC2)CCN1C(=O)CC[NH+](C)C ZINC001380264831 976320693 /nfs/dbraw/zinc/32/06/93/976320693.db2.gz GNJRMUXJUSWKCM-HIFRSBDPSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC1CCCC1 ZINC001390516582 976349719 /nfs/dbraw/zinc/34/97/19/976349719.db2.gz YDNOBJINKQHOLV-CYBMUJFWSA-N 2 0 279.428 1.367 10 0 CDAERP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cncs1 ZINC001399128906 976354091 /nfs/dbraw/zinc/35/40/91/976354091.db2.gz XEJWLNOMKJPBPL-NEPJUHHUSA-N 2 0 296.440 1.079 10 0 CDAERP C[N@H+](CCCF)[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001390640670 976406802 /nfs/dbraw/zinc/40/68/02/976406802.db2.gz VMCVCNXJZILZBI-CQSZACIVSA-N 2 0 297.418 1.365 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC001406789406 976407944 /nfs/dbraw/zinc/40/79/44/976407944.db2.gz IUEYEWHXPVBRTP-BBRMVZONSA-N 2 0 299.434 1.703 10 0 CDAERP Cc1nocc1C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001390648801 976416417 /nfs/dbraw/zinc/41/64/17/976416417.db2.gz SOEKFVZZMFYWCH-FZMZJTMJSA-N 2 0 294.399 1.062 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001390767378 976493477 /nfs/dbraw/zinc/49/34/77/976493477.db2.gz XGJUHJWJKWBUTN-GFCCVEGCSA-N 2 0 273.396 1.267 10 0 CDAERP C[NH+](C)CCC(=O)N1CC2(C1)CC[NH+](CCCF)CC2 ZINC001380802258 976554868 /nfs/dbraw/zinc/55/48/68/976554868.db2.gz DYAADTIFGMLGIM-UHFFFAOYSA-N 2 0 285.407 1.222 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CC1CCCC1 ZINC001402880403 976561435 /nfs/dbraw/zinc/56/14/35/976561435.db2.gz JEEJVBCKSZWPSP-BBRMVZONSA-N 2 0 293.455 1.613 10 0 CDAERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@H](C)[NH2+]CC1CC1 ZINC001403016593 976663962 /nfs/dbraw/zinc/66/39/62/976663962.db2.gz KXBICDYNLDNSBV-QWHCGFSZSA-N 2 0 281.444 1.754 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]CCF)CC1 ZINC001381116393 976679642 /nfs/dbraw/zinc/67/96/42/976679642.db2.gz NOJSCPKJCHRFGP-GFCCVEGCSA-N 2 0 271.380 1.021 10 0 CDAERP CC(C)[C@@H](CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCF ZINC001403236577 976829882 /nfs/dbraw/zinc/82/98/82/976829882.db2.gz HHTNQQQCCWNRMV-KGLIPLIRSA-N 2 0 287.423 1.513 10 0 CDAERP CO[C@@H](C)C[N@H+](C)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001381560215 976914104 /nfs/dbraw/zinc/91/41/04/976914104.db2.gz PDAKQADJMMJRLA-KGLIPLIRSA-N 2 0 299.459 1.332 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC2CCCC2)CC1(C)C ZINC001403383510 976925653 /nfs/dbraw/zinc/92/56/53/976925653.db2.gz NLIUMYDYEJVRPQ-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001403414285 976940134 /nfs/dbraw/zinc/94/01/34/976940134.db2.gz TYCFVRWOVIVRSH-DZGCQCFKSA-N 2 0 281.444 1.898 10 0 CDAERP CCCC[N@H+](C)C[C@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001400231549 976940866 /nfs/dbraw/zinc/94/08/66/976940866.db2.gz SHQJNKPJWLGSIH-HZPDHXFCSA-N 2 0 295.471 1.909 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H]2C[NH+](C(C)C)C[C@H]2C1 ZINC001403419279 976943618 /nfs/dbraw/zinc/94/36/18/976943618.db2.gz QBLJOURBBGBYFO-ARFHVFGLSA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@H](C)C[N@H+](C)[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001381612202 976949172 /nfs/dbraw/zinc/94/91/72/976949172.db2.gz SDXFCQALXLZTLQ-KBPBESRZSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)C[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)C(C)C ZINC001408350515 977020831 /nfs/dbraw/zinc/02/08/31/977020831.db2.gz BCMNQTADPPSXOF-OAHLLOKOSA-N 2 0 283.460 1.905 10 0 CDAERP CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CCC(C)C ZINC001391741268 977076050 /nfs/dbraw/zinc/07/60/50/977076050.db2.gz NQWFBKGZXVWGIO-CQSZACIVSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001391860531 977119033 /nfs/dbraw/zinc/11/90/33/977119033.db2.gz BYYKVQWITRYMEJ-UONOGXRCSA-N 2 0 299.434 1.657 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH2+]CCF)CCCC2)C1 ZINC001392023629 977180800 /nfs/dbraw/zinc/18/08/00/977180800.db2.gz OSMIWWJBBNUDDB-CYBMUJFWSA-N 2 0 285.407 1.316 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H](C)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001392072576 977209498 /nfs/dbraw/zinc/20/94/98/977209498.db2.gz LQOLRWOMQOIZMS-KBPBESRZSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H]1[C@H]([NH2+]Cc2nccs2)CCN1C(=O)CC[NH+](C)C ZINC001382288223 977237577 /nfs/dbraw/zinc/23/75/77/977237577.db2.gz PXNACSZYEVABQL-VXGBXAGGSA-N 2 0 296.440 1.174 10 0 CDAERP CC[NH2+]CC1(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CCCC1 ZINC001400972740 977258122 /nfs/dbraw/zinc/25/81/22/977258122.db2.gz PENCRBPOMWABFB-OKILXGFUSA-N 2 0 281.444 1.898 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCC[NH+]2CCCF)C1 ZINC001404090828 977333493 /nfs/dbraw/zinc/33/34/93/977333493.db2.gz KNIZTLWPEXCMIO-ZIAGYGMSSA-N 2 0 285.407 1.268 10 0 CDAERP COc1ccncc1CC(=O)N(C)CC[N@H+](C)CC1CC1 ZINC001392291848 977388672 /nfs/dbraw/zinc/38/86/72/977388672.db2.gz ZJGWLHUKTZAWIZ-UHFFFAOYSA-N 2 0 291.395 1.433 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NCC[NH+](CCC2CC2)C2CC2)C1 ZINC001404284304 977395945 /nfs/dbraw/zinc/39/59/45/977395945.db2.gz IXZVKIFGSGAOPW-OAHLLOKOSA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)C[N@H+](C)CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001492816195 977645809 /nfs/dbraw/zinc/64/58/09/977645809.db2.gz CEBXKCZACIGTJJ-LSDHHAIUSA-N 2 0 283.460 1.811 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@@]2(C)CC[NH+](CC3CCC3)C2)C1 ZINC001393118559 977710266 /nfs/dbraw/zinc/71/02/66/977710266.db2.gz LHEVMOHWRQZMIS-RDJZCZTQSA-N 2 0 293.455 1.709 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N[C@@]2(C)CC[NH+](C/C=C/Cl)C2)C1 ZINC001393118671 977712359 /nfs/dbraw/zinc/71/23/59/977712359.db2.gz MYHCHXCXUOMJFN-ROAXPNGRSA-N 2 0 299.846 1.661 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCCF ZINC001393465066 977795527 /nfs/dbraw/zinc/79/55/27/977795527.db2.gz ONOOTJHYWIKDGW-CABCVRRESA-N 2 0 299.434 1.753 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CCC[C@H]1C[N@@H+](C)CC ZINC001393866581 977939244 /nfs/dbraw/zinc/93/92/44/977939244.db2.gz CJPOXIVJJULCCJ-UONOGXRCSA-N 2 0 287.423 1.609 10 0 CDAERP CC[C@@H](F)C[NH2+]CC1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001393906617 977955048 /nfs/dbraw/zinc/95/50/48/977955048.db2.gz JCEYFQLGEIRUGB-ROKHWSDSSA-N 2 0 297.418 1.315 10 0 CDAERP CC[C@@H](C)C[N@H+](C)[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001394103917 978066596 /nfs/dbraw/zinc/06/65/96/978066596.db2.gz PQLNAYQRERKNHL-KGLIPLIRSA-N 2 0 283.460 1.811 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)CC1CCOCC1)[NH+](C)C ZINC001394131426 978082769 /nfs/dbraw/zinc/08/27/69/978082769.db2.gz YQRYSLUIUNVRTI-UKRRQHHQSA-N 2 0 299.459 1.190 10 0 CDAERP CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001394323270 978133575 /nfs/dbraw/zinc/13/35/75/978133575.db2.gz PTPKFCOEOHKKOL-ZQDZILKHSA-N 2 0 279.428 1.032 10 0 CDAERP CC(C)CC[N@H+](C)CCNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001492830602 978214067 /nfs/dbraw/zinc/21/40/67/978214067.db2.gz KTAUBZHZTLVMFL-INIZCTEOSA-N 2 0 281.444 1.566 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC3CC3)[C@H]2C1 ZINC001394688649 978229265 /nfs/dbraw/zinc/22/92/65/978229265.db2.gz MRVGVCNUNKWBMM-HRCADAONSA-N 2 0 293.455 1.565 10 0 CDAERP CCC[NH+]1CCC(C2(NC(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001394860031 978285980 /nfs/dbraw/zinc/28/59/80/978285980.db2.gz KPNGFBSTTSMUTA-UHFFFAOYSA-N 2 0 293.455 1.853 10 0 CDAERP CCCC[C@H](C[NH2+]CC)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001675222354 1174084742 /nfs/dbraw/zinc/08/47/42/1174084742.db2.gz JMNJNWOMFDCWHZ-MGPQQGTHSA-N 2 0 269.433 1.611 10 0 CDAERP CCOCCC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)[C@@H]1C ZINC001676887440 1174284966 /nfs/dbraw/zinc/28/49/66/1174284966.db2.gz OSGJHMKJGQGYLH-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)C[N@H+](C)CCCN(C)C(=O)CC[NH+](C)C ZINC001570207410 1170112472 /nfs/dbraw/zinc/11/24/72/1170112472.db2.gz PSVRPMKNEGILRO-UHFFFAOYSA-N 2 0 257.422 1.374 10 0 CDAERP CCCC[NH2+][C@H](C)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001570606798 1170207373 /nfs/dbraw/zinc/20/73/73/1170207373.db2.gz CEHYBZVHLTVJJU-OLZOCXBDSA-N 2 0 269.433 1.754 10 0 CDAERP CCCC[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001570653574 1170223557 /nfs/dbraw/zinc/22/35/57/1170223557.db2.gz SVBATJPEQVGCPJ-STQMWFEESA-N 2 0 257.422 1.610 10 0 CDAERP CCCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001570748196 1170268616 /nfs/dbraw/zinc/26/86/16/1170268616.db2.gz UOJFFRNIKITEAI-QWHCGFSZSA-N 2 0 257.422 1.563 10 0 CDAERP CCC[NH2+]C[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001571180881 1170342465 /nfs/dbraw/zinc/34/24/65/1170342465.db2.gz IMGGELNVKTZJHY-IHRRRGAJSA-N 2 0 267.417 1.223 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CCCF)C1)[NH+](C)C ZINC001571181190 1170343461 /nfs/dbraw/zinc/34/34/61/1170343461.db2.gz LDERKXWNAKHYJG-AVGNSLFASA-N 2 0 273.396 1.171 10 0 CDAERP CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001571390147 1170404524 /nfs/dbraw/zinc/40/45/24/1170404524.db2.gz ZYRPACAXGZAMPL-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP CCCC[NH+](CCCC)C[C@H]1OC(=O)CC12C[NH2+]C2 ZINC000675075287 539085316 /nfs/dbraw/zinc/08/53/16/539085316.db2.gz KQGFCNYUZDOONO-CYBMUJFWSA-N 2 0 268.401 1.794 10 0 CDAERP C[NH+](C)CCCC[NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000094635751 282084668 /nfs/dbraw/zinc/08/46/68/282084668.db2.gz IKLPFBAKNGOGKQ-QWHCGFSZSA-N 2 0 276.446 1.274 10 0 CDAERP CC(C)(C)[NH+]1CCC([NH2+]CCC2(C[NH3+])CC2)CC1 ZINC000650713127 398155399 /nfs/dbraw/zinc/15/53/99/398155399.db2.gz GUTXVDXAVGTKOW-UHFFFAOYSA-N 3 0 253.434 1.968 10 0 CDAERP COc1cccc(C[C@H](C)[NH2+]CCC2(C[NH3+])CC2)n1 ZINC000650714117 398156350 /nfs/dbraw/zinc/15/63/50/398156350.db2.gz SABIUUZZCHDWTC-LBPRGKRZSA-N 2 0 263.385 1.740 10 0 CDAERP C[C@]1(CNCc2ccc(C[NH3+])cc2F)CC[NH2+]C1 ZINC000650717383 398158358 /nfs/dbraw/zinc/15/83/58/398158358.db2.gz YWMFQUZIESGEPW-AWEZNQCLSA-N 2 0 251.349 1.374 10 0 CDAERP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)Cn1cccn1 ZINC000650720684 398160122 /nfs/dbraw/zinc/16/01/22/398160122.db2.gz YNSVKNBQXZMUJN-ZDUSSCGKSA-N 2 0 258.369 1.781 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@H]1CCC[NH+](C)C1 ZINC000650724250 398162240 /nfs/dbraw/zinc/16/22/40/398162240.db2.gz AWZYZORMFKBOTR-AWEZNQCLSA-N 2 0 284.448 1.358 10 0 CDAERP Cc1c[nH+]ccc1NC[C@H]1CN(Cc2ccncc2)CCO1 ZINC000624708685 342010130 /nfs/dbraw/zinc/01/01/30/342010130.db2.gz WGQOIAUVZLBOCJ-INIZCTEOSA-N 2 0 298.390 1.520 10 0 CDAERP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3[NH2+]CCc4ccccc43)C[C@@H]12 ZINC000248591363 343995530 /nfs/dbraw/zinc/99/55/30/343995530.db2.gz HETUNUAEAMBSGU-DTZQCDIJSA-N 2 0 285.391 1.069 10 0 CDAERP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000624312076 342151205 /nfs/dbraw/zinc/15/12/05/342151205.db2.gz ISJZZAAHGJPYRG-XPABHHOTSA-N 2 0 252.402 1.874 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000592471021 342698293 /nfs/dbraw/zinc/69/82/93/342698293.db2.gz RVKXPUMKQNRTAA-QKGCVVFFSA-N 2 0 280.412 1.696 10 0 CDAERP CC(C)OC(=O)CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592478492 342699222 /nfs/dbraw/zinc/69/92/22/342699222.db2.gz FIGZVPKBHYYCBX-KBPBESRZSA-N 2 0 268.401 1.792 10 0 CDAERP COC[C@@H](C)C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000188000506 342173383 /nfs/dbraw/zinc/17/33/83/342173383.db2.gz RHHKTKWUJNQZNU-KBPBESRZSA-N 2 0 270.417 1.359 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000629392056 361907612 /nfs/dbraw/zinc/90/76/12/361907612.db2.gz IKRVQNRONKYNMZ-GFCCVEGCSA-N 2 0 254.349 1.582 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](C)N1CCc2ccccc21 ZINC000422710962 536595248 /nfs/dbraw/zinc/59/52/48/536595248.db2.gz GOLPBYOJRLMUGC-GDBMZVCRSA-N 2 0 291.439 1.781 10 0 CDAERP CC[C@@H](Cc1ccccc1)[NH2+]CCOCCC[NH3+] ZINC000629398178 361930256 /nfs/dbraw/zinc/93/02/56/361930256.db2.gz OEVNDCNCVQWKQY-HNNXBMFYSA-N 2 0 250.386 1.963 10 0 CDAERP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CCOCCC[NH3+])CC2)C1 ZINC000629399961 361936463 /nfs/dbraw/zinc/93/64/63/361936463.db2.gz NFEHZBDJWQFUDY-WBVHZDCISA-N 3 0 297.487 1.985 10 0 CDAERP CC[C@@H](C[NH3+])[C@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC000669376903 539071936 /nfs/dbraw/zinc/07/19/36/539071936.db2.gz AVEIGRIFHCNJDI-HOTGVXAUSA-N 2 0 262.397 1.998 10 0 CDAERP Cc1cccc([C@@H](C)[N@H+](C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000041088730 342260851 /nfs/dbraw/zinc/26/08/51/342260851.db2.gz NIJCXWDGMSIMQF-CQSZACIVSA-N 2 0 275.396 1.420 10 0 CDAERP COC(=O)CCCC[N@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000599318166 344016944 /nfs/dbraw/zinc/01/69/44/344016944.db2.gz VMAFGZXKGMSGNJ-OLZOCXBDSA-N 2 0 256.390 1.744 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000333381215 282193769 /nfs/dbraw/zinc/19/37/69/282193769.db2.gz NQCNMVKEKQOIMZ-MELADBBJSA-N 2 0 282.432 1.301 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000594937500 342977838 /nfs/dbraw/zinc/97/78/38/342977838.db2.gz PGQSPTHLGXZSIQ-HTXSYXIBSA-N 2 0 280.412 1.791 10 0 CDAERP CS[C@@H](CO)[C@H](C)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000594924480 342988893 /nfs/dbraw/zinc/98/88/93/342988893.db2.gz ZFRRBSFUEHOZFE-FZMZJTMJSA-N 2 0 292.408 1.469 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)CSCCF ZINC000595017596 342995739 /nfs/dbraw/zinc/99/57/39/342995739.db2.gz KLJLBDLKVJMLLY-OLZOCXBDSA-N 2 0 277.453 1.303 10 0 CDAERP C[C@H](CSCCF)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000595029094 342997038 /nfs/dbraw/zinc/99/70/38/342997038.db2.gz WAMGWSQMRGZGED-LLVKDONJSA-N 2 0 264.410 1.124 10 0 CDAERP CSC[C@@H]1CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000595893620 343182740 /nfs/dbraw/zinc/18/27/40/343182740.db2.gz REAQEENDPBPYGA-RYUDHWBXSA-N 2 0 256.415 1.335 10 0 CDAERP CC[C@@H]([NH2+]CCOCC[NH2+]C)c1ccc2c(c1)OCCO2 ZINC000629528972 362155278 /nfs/dbraw/zinc/15/52/78/362155278.db2.gz OFQWYNDBSNQCSI-CQSZACIVSA-N 2 0 294.395 1.735 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000629529174 362155578 /nfs/dbraw/zinc/15/55/78/362155578.db2.gz UKNYPXRQSPXAEL-LBPRGKRZSA-N 2 0 252.358 1.582 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000629527823 362153221 /nfs/dbraw/zinc/15/32/21/362153221.db2.gz HBENIQQJJISVOM-VQJWOFKYSA-N 2 0 251.418 1.637 10 0 CDAERP C(C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)OC1CCOCC1 ZINC000629532386 362164989 /nfs/dbraw/zinc/16/49/89/362164989.db2.gz XOWGUFCZYPDIQF-JKSUJKDBSA-N 2 0 296.455 1.894 10 0 CDAERP CCc1c[nH]c(CC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2CC)n1 ZINC000635630497 362217901 /nfs/dbraw/zinc/21/79/01/362217901.db2.gz OJBMOARUUGYGGM-KGLIPLIRSA-N 2 0 290.411 1.600 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000054306403 343796962 /nfs/dbraw/zinc/79/69/62/343796962.db2.gz WAFNDXOUVJGSPZ-CQSZACIVSA-N 2 0 281.444 1.757 10 0 CDAERP COc1ccccc1/C=C\CN1CCN(C)C[C@H]1C[NH3+] ZINC000572721681 362292350 /nfs/dbraw/zinc/29/23/50/362292350.db2.gz ADWCSYUDPYZDCO-ZQMJAJRESA-N 2 0 275.396 1.283 10 0 CDAERP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000263250232 362394751 /nfs/dbraw/zinc/39/47/51/362394751.db2.gz PVHHQNUUXWMSCA-QKCSRTOESA-N 2 0 268.788 1.441 10 0 CDAERP CC(=O)[C@@](C)(O)C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640533166 362403990 /nfs/dbraw/zinc/40/39/90/362403990.db2.gz DQNSOOFJJCLXCQ-HNNXBMFYSA-N 2 0 270.417 1.524 10 0 CDAERP [NH3+]CCN1CC[NH+](CCCOc2ccc(F)cc2)CC1 ZINC000214799199 344655607 /nfs/dbraw/zinc/65/56/07/344655607.db2.gz YPIJBQSKFSYUDK-UHFFFAOYSA-N 2 0 281.375 1.171 10 0 CDAERP C[NH+](C)C1CCN(C[C@@H](C(N)=[NH2+])c2ccccc2)CC1 ZINC000083861559 178754667 /nfs/dbraw/zinc/75/46/67/178754667.db2.gz DJWWVXBHUUNGFU-OAHLLOKOSA-N 2 0 274.412 1.732 10 0 CDAERP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)N[C@H]1CCC[NH+](C)C1 ZINC000604643588 344912194 /nfs/dbraw/zinc/91/21/94/344912194.db2.gz QQZKWJPDNRBBLJ-KGLIPLIRSA-N 2 0 282.432 1.064 10 0 CDAERP CC[NH+](CC)CCCNC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000618546824 344972455 /nfs/dbraw/zinc/97/24/55/344972455.db2.gz IFUCVPUGKJEMSZ-CYBMUJFWSA-N 2 0 270.421 1.112 10 0 CDAERP CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@H]1CC[N@H+](C)C1 ZINC000617551150 345844168 /nfs/dbraw/zinc/84/41/68/345844168.db2.gz MJNDOQHAMVBBHX-IHRRRGAJSA-N 2 0 267.417 1.269 10 0 CDAERP CC[N@@H+]1CC[C@H](CN[C@@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623361413 346089707 /nfs/dbraw/zinc/08/97/07/346089707.db2.gz ALCZHHMIPRKKGL-ZIAGYGMSSA-N 2 0 253.434 1.791 10 0 CDAERP C[C@H]1COCCN1CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623401574 346162949 /nfs/dbraw/zinc/16/29/49/346162949.db2.gz FDUQJOLZQFGBTJ-KBPBESRZSA-N 2 0 269.433 1.170 10 0 CDAERP C[N@H+](CCC[C@](C)(O)C[NH3+])CCc1ccncc1 ZINC000085300469 179009999 /nfs/dbraw/zinc/00/99/99/179009999.db2.gz LWPFNYWLJKQSDJ-AWEZNQCLSA-N 2 0 251.374 1.046 10 0 CDAERP COCC[N@@H+]1CC[C@@H](N[C@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623410343 346248822 /nfs/dbraw/zinc/24/88/22/346248822.db2.gz LLYXFUDFZJTEGZ-UONOGXRCSA-N 2 0 269.433 1.170 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000085369396 179038981 /nfs/dbraw/zinc/03/89/81/179038981.db2.gz JOVFUYHBLWYOPY-CHWSQXEVSA-N 2 0 255.406 1.160 10 0 CDAERP CC(C)[N@H+](C)CCCCn1cnc2c1CC[NH2+]C2 ZINC000085567503 179095616 /nfs/dbraw/zinc/09/56/16/179095616.db2.gz KWBPFJHVVXTWQP-UHFFFAOYSA-N 2 0 250.390 1.649 10 0 CDAERP CC[N@@H+]1CC[C@@H](Cn2c3c(nc2C2CC2)C[NH2+]CC3)C1 ZINC000085570490 179096279 /nfs/dbraw/zinc/09/62/79/179096279.db2.gz VVMSTFQZACVKAW-GFCCVEGCSA-N 2 0 274.412 1.748 10 0 CDAERP CCc1nc2c(n1C[C@H]1CCCC[N@@H+]1C)CC[NH2+]C2 ZINC000085572815 179098140 /nfs/dbraw/zinc/09/81/40/179098140.db2.gz UWJAEFQPAPPSSZ-GFCCVEGCSA-N 2 0 262.401 1.576 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CCNc2ccccn2)CC1(C)C ZINC000623429141 346592365 /nfs/dbraw/zinc/59/23/65/346592365.db2.gz OSFKKDNIZDBEDD-CYBMUJFWSA-N 2 0 262.401 1.956 10 0 CDAERP C[C@H]1CCCC[C@@H]1OCC[NH2+]CC1CC[NH+](CCO)CC1 ZINC000075602803 346761074 /nfs/dbraw/zinc/76/10/74/346761074.db2.gz RYPIDEMZCIOCHU-RDJZCZTQSA-N 2 0 298.471 1.876 10 0 CDAERP [NH3+][C@]1(CN2CCC([NH+]3CCCCC3)CC2)CCOC1 ZINC000085914679 179197761 /nfs/dbraw/zinc/19/77/61/179197761.db2.gz SYILAYKEQVVLDE-HNNXBMFYSA-N 2 0 267.417 1.055 10 0 CDAERP CCC[NH+]1CCC(N2CC[NH2+][C@@H](C(C)C)C2)CC1 ZINC000086144496 179237310 /nfs/dbraw/zinc/23/73/10/179237310.db2.gz SJMBKVLEHPSVCO-OAHLLOKOSA-N 2 0 253.434 1.791 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000114076528 365891833 /nfs/dbraw/zinc/89/18/33/365891833.db2.gz NXHJZJZFSQOIRT-OAHLLOKOSA-N 2 0 279.428 1.415 10 0 CDAERP CC[C@@H]1C[NH2+]C2(CCCC2)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223142 179251867 /nfs/dbraw/zinc/25/18/67/179251867.db2.gz YLHFBIOLKVNODF-HUUCEWRRSA-N 2 0 265.445 1.935 10 0 CDAERP C[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086223934 179253370 /nfs/dbraw/zinc/25/33/70/179253370.db2.gz USWFSJGPMVOUOK-BPLDGKMQSA-N 2 0 251.418 1.543 10 0 CDAERP C[C@@H]1C[C@H](C[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)CC[NH2+]1 ZINC000414690960 365941748 /nfs/dbraw/zinc/94/17/48/365941748.db2.gz BDBJZHUHTQJTKN-KBUPBQIOSA-N 2 0 253.434 1.789 10 0 CDAERP [NH3+]C/C=C/CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000641862760 365947750 /nfs/dbraw/zinc/94/77/50/365947750.db2.gz QZBIVWQSUDEVHY-ONEGZZNKSA-N 2 0 280.416 1.161 10 0 CDAERP C[N@H+](Cc1ccccc1)C1CN(C(=O)NC/C=C/C[NH3+])C1 ZINC000641867971 365952330 /nfs/dbraw/zinc/95/23/30/365952330.db2.gz XSYBEVONFPNTPD-AATRIKPKSA-N 2 0 288.395 1.027 10 0 CDAERP C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1CCCCC1 ZINC000064508604 348942565 /nfs/dbraw/zinc/94/25/65/348942565.db2.gz IASHAJUUKROILS-UHFFFAOYSA-N 2 0 293.455 1.994 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CNC(=O)CC[C@H]1CCCC[NH+]1C ZINC000352159851 362937340 /nfs/dbraw/zinc/93/73/40/362937340.db2.gz CUCLOAMNZGGGOW-ZIAGYGMSSA-N 2 0 267.417 1.461 10 0 CDAERP Cn1c2cc(C[NH2+][C@@H]3CCC[C@H]([NH3+])C3)ccc2oc1=O ZINC000629538643 362955094 /nfs/dbraw/zinc/95/50/94/362955094.db2.gz NVZGNGUCNKMQSB-NWDGAFQWSA-N 2 0 275.352 1.491 10 0 CDAERP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]CCOCCC[NH3+])C1 ZINC000629540765 362963153 /nfs/dbraw/zinc/96/31/53/362963153.db2.gz XKOAILGGATWSIW-ZIAGYGMSSA-N 2 0 280.416 1.401 10 0 CDAERP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C1([NH2+]C3CC3)CCC1)C2 ZINC000621700821 350730187 /nfs/dbraw/zinc/73/01/87/350730187.db2.gz XLEADDMLDAJHMS-RISCZKNCSA-N 2 0 263.385 1.001 10 0 CDAERP CCn1nccc1CC[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000621776238 350773225 /nfs/dbraw/zinc/77/32/25/350773225.db2.gz GQYMSKSPGKIYFI-HIFRSBDPSA-N 2 0 264.417 1.895 10 0 CDAERP [NH3+]CC12CCC(CC1)CN2CCOC1CCOCC1 ZINC000629550440 362983358 /nfs/dbraw/zinc/98/33/58/362983358.db2.gz YMZASWRPJAXVFW-UHFFFAOYSA-N 2 0 268.401 1.385 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)[C@@H](C)C(=O)N(C(C)C)C(C)C ZINC000629568929 363021287 /nfs/dbraw/zinc/02/12/87/363021287.db2.gz MWTFUIPAXPPMAE-AWEZNQCLSA-N 2 0 287.448 1.188 10 0 CDAERP FCC[C@@H]1C[N@H+](CCCC2CC[NH2+]CC2)CCO1 ZINC000629581380 363042852 /nfs/dbraw/zinc/04/28/52/363042852.db2.gz YQTWSZHJUVYDBX-CQSZACIVSA-N 2 0 258.381 1.827 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc[nH]c2=O)[C@@H]2CCC[C@H]21 ZINC000624259676 351523389 /nfs/dbraw/zinc/52/33/89/351523389.db2.gz SXXKOSNRJIVZBT-MELADBBJSA-N 2 0 261.369 1.750 10 0 CDAERP COCCCCC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000629590720 363082481 /nfs/dbraw/zinc/08/24/81/363082481.db2.gz JOQKNLXKSPUAOS-MRXNPFEDSA-N 2 0 284.444 1.894 10 0 CDAERP CCCn1nc(C)c(C[N@H+](C)CCOCC[NH2+]C)c1C ZINC000629655511 363259534 /nfs/dbraw/zinc/25/95/34/363259534.db2.gz YKRNXMRWHBTPJD-UHFFFAOYSA-N 2 0 282.432 1.578 10 0 CDAERP CC(C)C[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000236713363 363399408 /nfs/dbraw/zinc/39/94/08/363399408.db2.gz UUDBXLUXTAMADG-QWHCGFSZSA-N 2 0 255.406 1.350 10 0 CDAERP COC1(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)CCC1 ZINC000336187646 356013658 /nfs/dbraw/zinc/01/36/58/356013658.db2.gz NMAVUAYUSRZGDW-UONOGXRCSA-N 2 0 252.402 1.972 10 0 CDAERP COC[C@H](C)C[N@@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000581835019 356207453 /nfs/dbraw/zinc/20/74/53/356207453.db2.gz KCGKHQUAMNIMHZ-CABCVRRESA-N 2 0 270.417 1.456 10 0 CDAERP CC[NH+](CC)CCC[C@H](C)[NH2+]C1CCN(C(N)=O)CC1 ZINC000037200917 356348822 /nfs/dbraw/zinc/34/88/22/356348822.db2.gz CVLNAZRWJBGSOW-ZDUSSCGKSA-N 2 0 284.448 1.630 10 0 CDAERP C[NH+]1CCC(CCNC(=O)[C@]23CCC[C@H]2C[NH2+]C3)CC1 ZINC000634766739 358504800 /nfs/dbraw/zinc/50/48/00/358504800.db2.gz STEOJWAJNLPRKQ-HOCLYGCPSA-N 2 0 279.428 1.224 10 0 CDAERP C[C@H](NC(=O)c1c[nH+]ccc1N(C)C)C1=CC[N@H+](C)CC1 ZINC000273620346 192233473 /nfs/dbraw/zinc/23/34/73/192233473.db2.gz MLBLUKNYNSRKPB-LBPRGKRZSA-N 2 0 288.395 1.528 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000220013107 283171884 /nfs/dbraw/zinc/17/18/84/283171884.db2.gz KGPPPXPCTJJWKI-ZDUSSCGKSA-N 2 0 269.433 1.613 10 0 CDAERP CC1(C)C[NH+]([C@@H]2C[C@@H]([NH3+])C23CCOCC3)CC(C)(C)O1 ZINC000725264431 538455622 /nfs/dbraw/zinc/45/56/22/538455622.db2.gz NHQNJEWBIKCNLV-CHWSQXEVSA-N 2 0 282.428 1.772 10 0 CDAERP C[C@H]1C[C@H](C[N@@H+]2CCc3cc[nH]c(=O)c3C2)CC[NH2+]1 ZINC000414759746 366321691 /nfs/dbraw/zinc/32/16/91/366321691.db2.gz PBUNZZZDPBTMPT-NWDGAFQWSA-N 2 0 261.369 1.533 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](C)C2)C1 ZINC000336616889 283338402 /nfs/dbraw/zinc/33/84/02/283338402.db2.gz VLKGKCKAKDPHIL-HOCLYGCPSA-N 2 0 279.428 1.415 10 0 CDAERP CC(C)[C@@H](C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[NH+](C)C ZINC000634745190 358196504 /nfs/dbraw/zinc/19/65/04/358196504.db2.gz YKJYNFWQMFRDAS-AEGPPILISA-N 2 0 267.417 1.031 10 0 CDAERP COC(=O)c1coc(C[NH2+]CC2CC[NH+](C)CC2)c1 ZINC000130774871 358315203 /nfs/dbraw/zinc/31/52/03/358315203.db2.gz DBEDLKSHZXDOHT-UHFFFAOYSA-N 2 0 266.341 1.498 10 0 CDAERP C[NH2+][C@H](CCO)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000095075717 358674310 /nfs/dbraw/zinc/67/43/10/358674310.db2.gz CMTQNZRTRYGQKQ-HZPDHXFCSA-N 2 0 262.397 1.869 10 0 CDAERP COC(=O)[C@@H](C)C[N@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000596989950 358676549 /nfs/dbraw/zinc/67/65/49/358676549.db2.gz BFAUJJWHQYVMBE-LBPRGKRZSA-N 2 0 288.351 1.508 10 0 CDAERP [NH3+]CCC[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000414769149 366519796 /nfs/dbraw/zinc/51/97/96/366519796.db2.gz WEGXAVJOFUGMEP-ZDUSSCGKSA-N 2 0 262.401 1.748 10 0 CDAERP C[C@H](CNC(=O)C1(C[NH3+])CCOCC1)[N@@H+]1CCCC[C@@H]1C ZINC000262072684 359132560 /nfs/dbraw/zinc/13/25/60/359132560.db2.gz BTGDOOUUTFCJBT-UONOGXRCSA-N 2 0 297.443 1.121 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)CC1CC[NH+](C)CC1 ZINC000347511834 359404899 /nfs/dbraw/zinc/40/48/99/359404899.db2.gz CJBBWLBPSHIFGT-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H]3CCN(C)C3=O)C2)[nH+]1 ZINC000116275348 359597512 /nfs/dbraw/zinc/59/75/12/359597512.db2.gz UOOCBDLDWSIYNK-UONOGXRCSA-N 2 0 288.395 1.355 10 0 CDAERP Cc1cc(C[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])[nH]n1 ZINC000422993405 359705159 /nfs/dbraw/zinc/70/51/59/359705159.db2.gz STRTZGLCYDGANC-ZKYQVNSYSA-N 2 0 250.390 1.756 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCc1cccc(F)c1F ZINC000422952091 359713040 /nfs/dbraw/zinc/71/30/40/359713040.db2.gz BQCZHHIIHDWMLU-LBPRGKRZSA-N 2 0 272.339 1.851 10 0 CDAERP Cn1cc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])c(C(F)(F)F)n1 ZINC000422967275 359724968 /nfs/dbraw/zinc/72/49/68/359724968.db2.gz OUPSSLIPWHKIHL-SCZZXKLOSA-N 2 0 276.306 1.656 10 0 CDAERP COc1cccc(CC[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)n1 ZINC000423007925 359737704 /nfs/dbraw/zinc/73/77/04/359737704.db2.gz RVTWJGSISKCMDN-GXTWGEPZSA-N 2 0 263.385 1.610 10 0 CDAERP CC(C)C(=O)N1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000348038971 359789011 /nfs/dbraw/zinc/78/90/11/359789011.db2.gz DXXYDKQSNKSMAS-AWEZNQCLSA-N 2 0 267.417 1.271 10 0 CDAERP CC(C)C1(C[NH2+]C[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000310812807 359805943 /nfs/dbraw/zinc/80/59/43/359805943.db2.gz CGQPYUFGWMPNBK-AWEZNQCLSA-N 2 0 254.418 1.859 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](O)CC2)[C@H]2CCC[C@H]21 ZINC000560542271 359809232 /nfs/dbraw/zinc/80/92/32/359809232.db2.gz ARXRXRUDFRRYQV-ARILJUKYSA-N 2 0 252.402 1.752 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2cnn(C)c2)[C@@H](C)C1 ZINC000336798286 359852778 /nfs/dbraw/zinc/85/27/78/359852778.db2.gz DKJARONZCKIAOL-DZGCQCFKSA-N 2 0 264.417 1.625 10 0 CDAERP CC[C@@H]1CCC[C@H]1[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000348158812 359863819 /nfs/dbraw/zinc/86/38/19/359863819.db2.gz IIGLZUPIYMJBKZ-CZUORRHYSA-N 2 0 293.455 1.898 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@H](O)C(C)(C)C)CC1 ZINC000336846047 359916228 /nfs/dbraw/zinc/91/62/28/359916228.db2.gz ISKPGZQNDJOHHL-CVEARBPZSA-N 2 0 297.487 1.495 10 0 CDAERP C[C@H](CC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)C1CC[NH2+]CC1 ZINC000237581108 359949933 /nfs/dbraw/zinc/94/99/33/359949933.db2.gz GPKZXJBHZIAVPB-IJEWVQPXSA-N 2 0 293.455 1.707 10 0 CDAERP C[C@H](C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)CS(C)(=O)=O ZINC000424288113 359992112 /nfs/dbraw/zinc/99/21/12/359992112.db2.gz KGJSICGSEXOZSQ-OLZOCXBDSA-N 2 0 288.457 1.131 10 0 CDAERP C[C@H]([NH2+]CCCNCc1cccnc1)C1CC[NH+](C)CC1 ZINC000643498040 360357910 /nfs/dbraw/zinc/35/79/10/360357910.db2.gz LFMBSCBTTRDIAG-HNNXBMFYSA-N 2 0 290.455 1.881 10 0 CDAERP C[C@@H]1C[C@H](NCC[N@H+]2CCCC[C@@H]2C)CC[NH+]1C ZINC000156601399 360627108 /nfs/dbraw/zinc/62/71/08/360627108.db2.gz VPPVOKXBOKLZOF-RRFJBIMHSA-N 2 0 253.434 1.933 10 0 CDAERP C(N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C12CC(C1)C[NH2+]2 ZINC000634992982 360627417 /nfs/dbraw/zinc/62/74/17/360627417.db2.gz IDZAEODIGGWGGN-OBKBAYEDSA-N 2 0 275.440 1.687 10 0 CDAERP C1CSC[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000335642380 360686860 /nfs/dbraw/zinc/68/68/60/360686860.db2.gz JGCBOIRSMNLLEC-SLTAFYQDSA-N 2 0 283.485 1.688 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[NH2+]1 ZINC000626938010 360658772 /nfs/dbraw/zinc/65/87/72/360658772.db2.gz LYDPGTFKGUJBJH-YIYPIFLZSA-N 2 0 280.416 1.053 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000338290236 360816617 /nfs/dbraw/zinc/81/66/17/360816617.db2.gz LZYYITFRLNQGFH-ZIAGYGMSSA-N 2 0 284.448 1.500 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000418692036 296021982 /nfs/dbraw/zinc/02/19/82/296021982.db2.gz FJEBXEMHCYFRGT-ZIAGYGMSSA-N 2 0 298.475 1.876 10 0 CDAERP O=C1CN(Cc2ccc3c(c2)C[NH2+]CC3)[C@@H]2CCCC[C@@H]2N1 ZINC000566351124 370691233 /nfs/dbraw/zinc/69/12/33/370691233.db2.gz MAKGYHPKZBBJJM-DLBZAZTESA-N 2 0 299.418 1.575 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)CC[NH+]1CCCCC1 ZINC000175346501 364389287 /nfs/dbraw/zinc/38/92/87/364389287.db2.gz WYXANXZWLVVNOR-OAHLLOKOSA-N 2 0 253.434 1.888 10 0 CDAERP C[C@@H](NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)[C@H](C)[NH3+] ZINC000418705904 296060921 /nfs/dbraw/zinc/06/09/21/296060921.db2.gz SAJWTWNPDFVYEA-MJBXVCDLSA-N 2 0 282.432 1.382 10 0 CDAERP C[NH+](C)[C@H]1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000170861651 364395458 /nfs/dbraw/zinc/39/54/58/364395458.db2.gz UZHRRSJHGVQORL-ZDUSSCGKSA-N 2 0 296.459 1.641 10 0 CDAERP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000249036421 364448900 /nfs/dbraw/zinc/44/89/00/364448900.db2.gz MTRLMYWCSODKJZ-KCQAQPDRSA-N 2 0 277.412 1.259 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(C)CCC[NH+](C)C ZINC000186250332 364545594 /nfs/dbraw/zinc/54/55/94/364545594.db2.gz PAVBJAJRJJNDHO-OAHLLOKOSA-N 2 0 298.475 1.844 10 0 CDAERP C[C@]([NH3+])(C(=O)N1CCC[C@H](C[NH3+])C1)c1ccccc1 ZINC000336229680 291333948 /nfs/dbraw/zinc/33/39/48/291333948.db2.gz PEMONXAZVBCJHY-IUODEOHRSA-N 2 0 261.369 1.058 10 0 CDAERP COC[C@H]([NH2+]Cc1ccc2c[nH+]cn2c1)C1CCOCC1 ZINC000414177727 241099429 /nfs/dbraw/zinc/09/94/29/241099429.db2.gz ILGWQNPKOFIUKP-INIZCTEOSA-N 2 0 289.379 1.866 10 0 CDAERP CC(C)C[C@H]([NH3+])CN(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000414699710 241333939 /nfs/dbraw/zinc/33/39/39/241333939.db2.gz FGPMSVGVDQGCNO-HNNXBMFYSA-N 2 0 285.476 1.650 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000627023932 367246232 /nfs/dbraw/zinc/24/62/32/367246232.db2.gz FIKOJJQAEVSYKO-GFJIZPEISA-N 2 0 280.416 1.053 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000357913410 367299267 /nfs/dbraw/zinc/29/92/67/367299267.db2.gz NFMPQJRQLJZCAL-MCIONIFRSA-N 2 0 299.484 1.365 10 0 CDAERP CCCCCNC(=O)[C@@H](C)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000572523777 367308392 /nfs/dbraw/zinc/30/83/92/367308392.db2.gz MYZFLTDCIJMKGA-GDBMZVCRSA-N 2 0 281.444 1.757 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000627080742 367379612 /nfs/dbraw/zinc/37/96/12/367379612.db2.gz SGZUEJBVJUFPJE-BYCMXARLSA-N 2 0 290.411 1.646 10 0 CDAERP CCN(CC[NH3+])C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000627078536 367373919 /nfs/dbraw/zinc/37/39/19/367373919.db2.gz BCSSAMKNVAXERE-NSHDSACASA-N 2 0 264.373 1.197 10 0 CDAERP CC(C)[NH2+]CCCNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000564189501 367374384 /nfs/dbraw/zinc/37/43/84/367374384.db2.gz VZDNTDCAMGXCHK-HNNXBMFYSA-N 2 0 282.432 1.160 10 0 CDAERP CCN(CCC[NH+](CC)CC)C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000230715191 367531875 /nfs/dbraw/zinc/53/18/75/367531875.db2.gz DILRWYUAPXKNJA-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)[C@@H](C)C1 ZINC000358206946 367512268 /nfs/dbraw/zinc/51/22/68/367512268.db2.gz SVIPAXKGBGXLNA-QKGCVVFFSA-N 2 0 279.428 1.316 10 0 CDAERP C[C@H]([NH2+][C@@H]1CN(C)C[C@@H]1C)c1ccc(-n2ccnn2)cc1 ZINC000358218728 367517959 /nfs/dbraw/zinc/51/79/59/367517959.db2.gz IECIBCABNCUTJH-HEHGZKQESA-N 2 0 285.395 1.868 10 0 CDAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000416822904 242169303 /nfs/dbraw/zinc/16/93/03/242169303.db2.gz GMNKCSKWLGACIS-KBPBESRZSA-N 2 0 296.459 1.548 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000627159773 367588479 /nfs/dbraw/zinc/58/84/79/367588479.db2.gz UFYMBPGPXAQTGB-XQHKEYJVSA-N 2 0 268.405 1.038 10 0 CDAERP CC1CC[NH+](CCNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000417003206 242260618 /nfs/dbraw/zinc/26/06/18/242260618.db2.gz BGDREPHZURUXDY-UONOGXRCSA-N 2 0 282.432 1.016 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)C1 ZINC000417236125 242374170 /nfs/dbraw/zinc/37/41/70/242374170.db2.gz DONMSNNAXBQLQS-ILXRZTDVSA-N 2 0 294.443 1.112 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)C[NH2+]1 ZINC000627196132 367683193 /nfs/dbraw/zinc/68/31/93/367683193.db2.gz HBPXULJHPQYEMQ-ILXRZTDVSA-N 2 0 294.443 1.397 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000417390884 242452816 /nfs/dbraw/zinc/45/28/16/242452816.db2.gz KONYWUSZUGKDHU-DZGCQCFKSA-N 2 0 296.459 1.548 10 0 CDAERP CCN(CCC[NH+](CC)CC)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627202407 367696418 /nfs/dbraw/zinc/69/64/18/367696418.db2.gz IYHNFBITZTVHOF-HUUCEWRRSA-N 2 0 298.475 1.890 10 0 CDAERP C[C@@H](C[NH+](C)C)NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000358497559 367726886 /nfs/dbraw/zinc/72/68/86/367726886.db2.gz JPHZQQWCFSRYJM-AWEZNQCLSA-N 2 0 296.459 1.454 10 0 CDAERP CC(C)[NH+]1CCC(N(C)C(=O)C2=CC[C@@H]([NH3+])C2)CC1 ZINC000638057944 367867253 /nfs/dbraw/zinc/86/72/53/367867253.db2.gz DXIZSRROQCEOGK-CYBMUJFWSA-N 2 0 265.401 1.365 10 0 CDAERP C[C@@H](NC(=O)NCC1([NH3+])CCCCCC1)[C@H]1CCC[NH2+]C1 ZINC000418281708 242888687 /nfs/dbraw/zinc/88/86/87/242888687.db2.gz FEXRJWBNUUCCOR-KGLIPLIRSA-N 2 0 296.459 1.725 10 0 CDAERP CC[C@](C)(O)C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000123546421 368195349 /nfs/dbraw/zinc/19/53/49/368195349.db2.gz YARVNYFPINAIJU-HIFRSBDPSA-N 2 0 272.433 1.172 10 0 CDAERP CC[C@H]([NH3+])CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000418463689 243107623 /nfs/dbraw/zinc/10/76/23/243107623.db2.gz OXJGCWPRZBXLNW-GWCFXTLKSA-N 2 0 264.373 1.243 10 0 CDAERP C[C@H](CNC(=O)C1=CC[C@@H]([NH3+])C1)[N@H+](C)Cc1ccccc1 ZINC000638113533 368461037 /nfs/dbraw/zinc/46/10/37/368461037.db2.gz PALOIKNOTQVJHV-CZUORRHYSA-N 2 0 287.407 1.671 10 0 CDAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NC(C)(C)CCC[NH+](C)C ZINC000418598184 243258052 /nfs/dbraw/zinc/25/80/52/243258052.db2.gz QJMQSEAMABXEPH-QWHCGFSZSA-N 2 0 284.448 1.404 10 0 CDAERP Cc1ccncc1N1CCN(c2ccncc2C(N)=O)CC1 ZINC000541089730 368601413 /nfs/dbraw/zinc/60/14/13/368601413.db2.gz NSCOWOKMHOQPCT-UHFFFAOYSA-N 2 0 297.362 1.211 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCn2cccn2)[C@H](C)C1 ZINC000081097029 369932262 /nfs/dbraw/zinc/93/22/62/369932262.db2.gz JPDULNMHIBFYDP-KGLIPLIRSA-N 2 0 250.390 1.545 10 0 CDAERP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCc3c2cnn3C)C1 ZINC000249381197 370143953 /nfs/dbraw/zinc/14/39/53/370143953.db2.gz RPFWZGYKLBSYQG-OCCSQVGLSA-N 2 0 262.401 1.729 10 0 CDAERP CCC[NH2+]CCNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000564949682 370307066 /nfs/dbraw/zinc/30/70/66/370307066.db2.gz NVVSMJSZQWCQCM-ZDUSSCGKSA-N 2 0 255.406 1.367 10 0 CDAERP C[C@H](CC[NH3+])NC(=O)NCC1([NH3+])CCCCCC1 ZINC000418282907 370452539 /nfs/dbraw/zinc/45/25/39/370452539.db2.gz IOMNFXXDKIGBRU-LLVKDONJSA-N 2 0 256.394 1.075 10 0 CDAERP C[NH2+][C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000389937431 370471416 /nfs/dbraw/zinc/47/14/16/370471416.db2.gz NLOKGKBLFATMQJ-GZBFAFLISA-N 2 0 275.396 1.231 10 0 CDAERP COCC[N@H+](C)CCCN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@H]21 ZINC000375855576 371003946 /nfs/dbraw/zinc/00/39/46/371003946.db2.gz AVQXAEKATGSINT-ARFHVFGLSA-N 2 0 283.460 1.417 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000422739412 245199953 /nfs/dbraw/zinc/19/99/53/245199953.db2.gz LDODBLHIPMTSFZ-HIFRSBDPSA-N 3 0 253.434 1.839 10 0 CDAERP CC(C)[NH+](CCN[C@H](C1CC1)[C@@H]1C[NH2+]CCO1)C(C)C ZINC000422767717 245232071 /nfs/dbraw/zinc/23/20/71/245232071.db2.gz YUKLCGZQQKUICH-JKSUJKDBSA-N 2 0 283.460 1.462 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCCN(c2cnn(C)c2)C1 ZINC000422789782 245256934 /nfs/dbraw/zinc/25/69/34/245256934.db2.gz WYWFQENTXXWEMV-AVGNSLFASA-N 2 0 265.405 1.104 10 0 CDAERP O=C(C[NH2+][C@@H](c1ccc(F)cc1)C1CC1)N1CC[NH2+]CC1 ZINC000567723962 371121375 /nfs/dbraw/zinc/12/13/75/371121375.db2.gz ITLSMLLSBCNZPS-MRXNPFEDSA-N 2 0 291.370 1.298 10 0 CDAERP C[N@H+](CCOC[C@@H]1CCCO1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000567892013 371185296 /nfs/dbraw/zinc/18/52/96/371185296.db2.gz KYGZVCKRKNUSNT-IXXDHKBRSA-N 2 0 268.401 1.397 10 0 CDAERP C[C@@H](CNC(=O)NCCC1(C[NH3+])CC1)[NH+]1CCC(C)CC1 ZINC000652141688 412791700 /nfs/dbraw/zinc/79/17/00/412791700.db2.gz XHLSAHCUZAIKTN-AWEZNQCLSA-N 2 0 296.459 1.535 10 0 CDAERP C[NH+](C)Cc1cccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000172618484 372410577 /nfs/dbraw/zinc/41/05/77/372410577.db2.gz FHHWISHCIJUVPX-MRXNPFEDSA-N 2 0 287.407 1.668 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)Cc1cccc(OC)c1 ZINC000422953843 245433533 /nfs/dbraw/zinc/43/35/33/245433533.db2.gz GRRNFHFJMDPMSR-DZGCQCFKSA-N 2 0 280.412 1.970 10 0 CDAERP CC[C@H](C)NC(=O)[C@H](C)N1CC2CCC1(C[NH3+])CC2 ZINC000578643079 372529906 /nfs/dbraw/zinc/52/99/06/372529906.db2.gz MVMOVWQXGQQLAB-YKQCJFHZSA-N 2 0 267.417 1.493 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])C1 ZINC000645684854 373241659 /nfs/dbraw/zinc/24/16/59/373241659.db2.gz JGOXBLTXIYJDBM-SGMGOOAPSA-N 2 0 253.390 1.104 10 0 CDAERP Cc1nc2ccccc2n1CC[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400434944 373262585 /nfs/dbraw/zinc/26/25/85/373262585.db2.gz MKJAUXHPSSQKQH-GXTWGEPZSA-N 2 0 272.396 1.932 10 0 CDAERP Cc1nc2n(n1)C[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC000192808468 373642109 /nfs/dbraw/zinc/64/21/09/373642109.db2.gz SQCWSFREUUCYGK-FUDCBSFHSA-N 2 0 275.400 1.116 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000341435494 373691375 /nfs/dbraw/zinc/69/13/75/373691375.db2.gz SIURAELHSYZRQF-ILXRZTDVSA-N 2 0 298.475 1.889 10 0 CDAERP CCOc1ccccc1OCC[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631841782 373831795 /nfs/dbraw/zinc/83/17/95/373831795.db2.gz PNDHAYYKEXERMM-KBPBESRZSA-N 2 0 278.396 1.991 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)C2CCOCC2)CC1(C)C ZINC000623426395 374343613 /nfs/dbraw/zinc/34/36/13/374343613.db2.gz MDIYLPDZCDTFJX-ZIAGYGMSSA-N 2 0 270.417 1.236 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000250880071 483029214 /nfs/dbraw/zinc/02/92/14/483029214.db2.gz VFBXECIDKDZGRR-IHRRRGAJSA-N 2 0 265.401 1.058 10 0 CDAERP CCN(CCC[NH+]1CCCC1)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000418695470 374482933 /nfs/dbraw/zinc/48/29/33/374482933.db2.gz JIRUMDQWIRMULJ-QWHCGFSZSA-N 2 0 270.421 1.240 10 0 CDAERP C[C@@H]1CCCCN1C(=O)CN1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631888013 374500622 /nfs/dbraw/zinc/50/06/22/374500622.db2.gz VUYAYGYFTULHAX-KFWWJZLASA-N 2 0 279.428 1.461 10 0 CDAERP C[C@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C[NH3+] ZINC000424000782 246281122 /nfs/dbraw/zinc/28/11/22/246281122.db2.gz OPRSELWAMGEEDV-NWDGAFQWSA-N 2 0 276.384 1.205 10 0 CDAERP CC(C)[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000251352255 483040868 /nfs/dbraw/zinc/04/08/68/483040868.db2.gz SRDQLGNKFBJNCL-RRFJBIMHSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)n1ncnc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000631043481 374647707 /nfs/dbraw/zinc/64/77/07/374647707.db2.gz XVYCIWQFJORWQV-UHFFFAOYSA-N 2 0 281.404 1.061 10 0 CDAERP COc1cccc([C@H](C[NH2+][C@@H]2CN(C)C[C@@H]2C)N(C)C)c1 ZINC000342954286 374773411 /nfs/dbraw/zinc/77/34/11/374773411.db2.gz XGQFCLZWZFTAJY-XKQJLSEDSA-N 2 0 291.439 1.838 10 0 CDAERP CC(C)C1(C[NH2+]CCCN2CC[NH+](C)CC2)CC1 ZINC000638850215 375088015 /nfs/dbraw/zinc/08/80/15/375088015.db2.gz DABZNAQVCBEJAZ-UHFFFAOYSA-N 2 0 253.434 1.650 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+][C@H]1CC[C@H]1SC ZINC000425337758 246777354 /nfs/dbraw/zinc/77/73/54/246777354.db2.gz NUWQSRKXLLHNKA-QWHCGFSZSA-N 2 0 260.447 1.828 10 0 CDAERP C[NH+](C)CC=C=C[C@]1(O)CC[N@H+](C)[C@H]2CCCC[C@H]21 ZINC000255998545 190000756 /nfs/dbraw/zinc/00/07/56/190000756.db2.gz RBCCPYSVVLUODL-JZKFOYATSA-N 2 0 264.413 1.885 10 0 CDAERP CC[NH+](CC)[C@@H](C)CNC(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000245467050 376039095 /nfs/dbraw/zinc/03/90/95/376039095.db2.gz JTYMIHFSGVQNHI-GJZGRUSLSA-N 2 0 298.475 1.842 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N(C)[C@@H](C)C[NH3+])CC1 ZINC000417390981 376317529 /nfs/dbraw/zinc/31/75/29/376317529.db2.gz MKYOCQGIHVDNNM-LBPRGKRZSA-N 2 0 270.421 1.097 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000418361024 284580249 /nfs/dbraw/zinc/58/02/49/284580249.db2.gz GNLDXLGQCZWQAU-HNNXBMFYSA-N 2 0 296.459 1.502 10 0 CDAERP [NH3+]CCC[N@H+](CC1CCCC1)C[C@H]1CCc2ncnn21 ZINC000631826859 376658209 /nfs/dbraw/zinc/65/82/09/376658209.db2.gz YSGUAUMFECVZOP-CQSZACIVSA-N 2 0 277.416 1.606 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N2C[C@H](C[NH3+])C[C@H]2C)CC1 ZINC000417396622 376822752 /nfs/dbraw/zinc/82/27/52/376822752.db2.gz WAPADLYSKCYKBW-HIFRSBDPSA-N 2 0 296.459 1.487 10 0 CDAERP CC[C@H](C)NC(=O)C[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000246977124 377027589 /nfs/dbraw/zinc/02/75/89/377027589.db2.gz JNUTZAPEAGWGSC-JSGCOSHPSA-N 2 0 278.400 1.571 10 0 CDAERP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H]3CCN(C)C3=O)C2)[nH+]1 ZINC000247559191 377151379 /nfs/dbraw/zinc/15/13/79/377151379.db2.gz UOOCBDLDWSIYNK-KBPBESRZSA-N 2 0 288.395 1.355 10 0 CDAERP C[NH+]1CCC(CCNC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)CC1 ZINC000417497559 377603590 /nfs/dbraw/zinc/60/35/90/377603590.db2.gz DKKIVHHSOMUTAB-OAHLLOKOSA-N 2 0 294.443 1.254 10 0 CDAERP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000261762774 377900463 /nfs/dbraw/zinc/90/04/63/377900463.db2.gz YAQGPOGHBLYFMA-XGUBFFRZSA-N 2 0 279.428 1.365 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H]1CCC[NH+](CC)C1 ZINC000245392033 378084341 /nfs/dbraw/zinc/08/43/41/378084341.db2.gz ACOOQWOQEOSGHJ-KBPBESRZSA-N 2 0 284.448 1.500 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)N[C@@H](C)C1([NH+]2CCOCC2)CCCC1 ZINC000193319987 378273494 /nfs/dbraw/zinc/27/34/94/378273494.db2.gz SVIIMFRZUXRSOZ-KGLIPLIRSA-N 2 0 297.443 1.264 10 0 CDAERP CCCN(C(=O)[C@@H]1CC[NH+](C)[C@H]1CC)[C@H]1CC[N@H+](C)C1 ZINC000633553039 378529497 /nfs/dbraw/zinc/52/94/97/378529497.db2.gz UMSSAFGYADYMNZ-ZNMIVQPWSA-N 2 0 281.444 1.659 10 0 CDAERP CC[C@@](C)(O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662324841 412893745 /nfs/dbraw/zinc/89/37/45/412893745.db2.gz YVCSOXJOIPBGGJ-ZIAGYGMSSA-N 2 0 258.406 1.190 10 0 CDAERP C[NH+](C)CCC[C@@H]1CN(CC[C@H]2CCC[N@@H+]2C)CCO1 ZINC000662326401 412895146 /nfs/dbraw/zinc/89/51/46/412895146.db2.gz YWMIKIKTTFLMLO-HZPDHXFCSA-N 2 0 283.460 1.513 10 0 CDAERP C[C@H](C(=O)NCCCC[NH+](C)C)[NH+]1[C@H](C)CC[C@H]1C ZINC000444040815 250075425 /nfs/dbraw/zinc/07/54/25/250075425.db2.gz UBVIUNLICJISRE-MGPQQGTHSA-N 2 0 269.433 1.706 10 0 CDAERP C[NH+](CCCC[N@@H+](C)C[C@H]1CCCO1)C[C@@H]1CCCO1 ZINC000246412871 379558617 /nfs/dbraw/zinc/55/86/17/379558617.db2.gz QQWRMMIKFDCUNC-IYBDPMFKSA-N 2 0 284.444 1.988 10 0 CDAERP CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)[C@H](C)[NH3+])CC(C)C ZINC000416943583 284819395 /nfs/dbraw/zinc/81/93/95/284819395.db2.gz CJCKIVSHRWXCNW-MJBXVCDLSA-N 2 0 286.464 1.778 10 0 CDAERP CCC[NH+]1CCC(NC(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655921448 412931225 /nfs/dbraw/zinc/93/12/25/412931225.db2.gz XFXLKGIAOKYGGQ-SNVBAGLBSA-N 2 0 296.337 1.050 10 0 CDAERP COC[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)OC ZINC000660116462 412934382 /nfs/dbraw/zinc/93/43/82/412934382.db2.gz ZXSVMNMRTYQTLN-CWRNSKLLSA-N 2 0 282.428 1.597 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655930451 412937975 /nfs/dbraw/zinc/93/79/75/412937975.db2.gz PPKRRYQINIRFKQ-UWVGGRQHSA-N 2 0 296.337 1.050 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000655970631 412984020 /nfs/dbraw/zinc/98/40/20/412984020.db2.gz WARKAFWKVULFPM-RYPNDVFKSA-N 2 0 294.443 1.014 10 0 CDAERP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000654067338 413023045 /nfs/dbraw/zinc/02/30/45/413023045.db2.gz YFCALKKSPLVHDR-FZNQNYSPSA-N 2 0 289.423 1.818 10 0 CDAERP OCCn1nccc1C1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000178979911 285268019 /nfs/dbraw/zinc/26/80/19/285268019.db2.gz LDHPDGCLJBDPLP-UHFFFAOYSA-N 2 0 292.427 1.054 10 0 CDAERP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000368613537 285290498 /nfs/dbraw/zinc/29/04/98/285290498.db2.gz KGYYTECWYTYXNT-UKRRQHHQSA-N 2 0 292.427 1.614 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000662450473 413031703 /nfs/dbraw/zinc/03/17/03/413031703.db2.gz RPBGYLOXVPEKMK-MCIONIFRSA-N 2 0 285.432 1.118 10 0 CDAERP C[C@H]1CCC[C@]([NH3+])(C(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000080924948 177730202 /nfs/dbraw/zinc/73/02/02/177730202.db2.gz YUCUUUISXDLVOD-WMLDXEAASA-N 2 0 293.455 1.981 10 0 CDAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCC[NH3+] ZINC000398213375 390247024 /nfs/dbraw/zinc/24/70/24/390247024.db2.gz TWMGRDAGVCDHJR-ZBFHGGJFSA-N 2 0 261.413 1.835 10 0 CDAERP C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)[C@H]2C1 ZINC000646927210 390305417 /nfs/dbraw/zinc/30/54/17/390305417.db2.gz GKMGDYWKTLKBNH-RISCZKNCSA-N 2 0 270.336 1.110 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000646986416 390333762 /nfs/dbraw/zinc/33/37/62/390333762.db2.gz AYGQKDKYNAJLKO-ZIAGYGMSSA-N 2 0 267.417 1.509 10 0 CDAERP CC[C@H]1CN(C(=O)c2ccc(C[NH3+])cc2)CC[C@@H]1[NH3+] ZINC000647015590 390355295 /nfs/dbraw/zinc/35/52/95/390355295.db2.gz VFJYVFDVAWQWRB-JSGCOSHPSA-N 2 0 261.369 1.345 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCOc2c(F)cccc21 ZINC000423062334 285373969 /nfs/dbraw/zinc/37/39/69/285373969.db2.gz SYYFGUDRTXPNBT-FZMZJTMJSA-N 2 0 282.359 1.993 10 0 CDAERP C[C@]1(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)CC[NH2+]C1 ZINC000647538361 390686666 /nfs/dbraw/zinc/68/66/66/390686666.db2.gz ONHVUVBCXDPCJZ-CVEARBPZSA-N 2 0 259.397 1.946 10 0 CDAERP COc1ncncc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000647217322 390882401 /nfs/dbraw/zinc/88/24/01/390882401.db2.gz LOZVWPVCVOCGDX-GFCCVEGCSA-N 2 0 264.373 1.307 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)[C@@H](C)[NH3+])[C@H](C)C1 ZINC000249119051 285393990 /nfs/dbraw/zinc/39/39/90/285393990.db2.gz WQYKZBVXKYKHPF-LPWJVIDDSA-N 2 0 255.406 1.158 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648210183 390952943 /nfs/dbraw/zinc/95/29/43/390952943.db2.gz LXMHXZNPVOXFPA-AGIUHOORSA-N 2 0 265.401 1.165 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000417753989 391031956 /nfs/dbraw/zinc/03/19/56/391031956.db2.gz UZWPQXBMIMVPLI-NEPJUHHUSA-N 2 0 270.421 1.143 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])NC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000647474504 390965455 /nfs/dbraw/zinc/96/54/55/390965455.db2.gz ZDINVBYLCRIXNC-WDEREUQCSA-N 2 0 288.355 1.515 10 0 CDAERP CC(C)C[C@@H]([NH3+])C[NH2+]CCCOC[C@@H]1CCCO1 ZINC000415086372 391003300 /nfs/dbraw/zinc/00/33/00/391003300.db2.gz JOOOETGHRKOBJU-KGLIPLIRSA-N 2 0 258.406 1.535 10 0 CDAERP CCC[NH+]1CCC(NC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000417753738 391034834 /nfs/dbraw/zinc/03/48/34/391034834.db2.gz UPTSBAYGHSWIKZ-GXTWGEPZSA-N 2 0 282.432 1.158 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C1CCN(C(N)=O)CC1 ZINC000343422733 391071407 /nfs/dbraw/zinc/07/14/07/391071407.db2.gz QGKBLAWYYPJMJR-CQSZACIVSA-N 2 0 296.459 1.774 10 0 CDAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC2CC[NH+](C)CC2)C1 ZINC000123046626 391233933 /nfs/dbraw/zinc/23/39/33/391233933.db2.gz GSTGKWXUICEORW-OCCSQVGLSA-N 2 0 282.432 1.109 10 0 CDAERP CC(C)C[C@@H](CNC(=O)c1c[nH+]ccc1N(C)C)[NH+](C)C ZINC000183623079 391267724 /nfs/dbraw/zinc/26/77/24/391267724.db2.gz NWQPUQRBTDUMHP-ZDUSSCGKSA-N 2 0 292.427 1.854 10 0 CDAERP [NH3+][C@@H](CNC(=O)NCC1([NH3+])CCCCC1)c1ccccc1 ZINC000418301719 391290251 /nfs/dbraw/zinc/29/02/51/391290251.db2.gz ZDKXRHVYOXDYIJ-AWEZNQCLSA-N 2 0 290.411 1.647 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)CN1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000647970729 391334710 /nfs/dbraw/zinc/33/47/10/391334710.db2.gz BYVIZFUFQCFLFR-RRFJBIMHSA-N 2 0 286.460 1.416 10 0 CDAERP CO[C@H](C)C[N@@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000182352306 391376723 /nfs/dbraw/zinc/37/67/23/391376723.db2.gz PLRZYQWPMXKSAF-CABCVRRESA-N 2 0 269.433 1.123 10 0 CDAERP CC1(C)CCC[N@@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000335247706 391378583 /nfs/dbraw/zinc/37/85/83/391378583.db2.gz IRDIKKNHFQFBBR-GFCCVEGCSA-N 2 0 253.390 1.058 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000110958935 391395659 /nfs/dbraw/zinc/39/56/59/391395659.db2.gz QQCXUKOUABCXFA-OAHLLOKOSA-N 2 0 297.443 1.040 10 0 CDAERP C[C@@H](NC(=O)NCC[NH2+]C1CCCCCC1)[C@H](C)[NH3+] ZINC000418436718 391511136 /nfs/dbraw/zinc/51/11/36/391511136.db2.gz CLHZJQXCTQYVIG-NWDGAFQWSA-N 2 0 270.421 1.334 10 0 CDAERP C[C@@H]1CN(C(=O)C[C@H]([NH3+])c2ccccc2)C[C@@]1(C)C[NH3+] ZINC000417827660 391492346 /nfs/dbraw/zinc/49/23/46/391492346.db2.gz DOUYDDNCBPDDFA-IVMMDQJWSA-N 2 0 275.396 1.520 10 0 CDAERP CS[C@@H]1CC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000425365716 391493608 /nfs/dbraw/zinc/49/36/08/391493608.db2.gz YOXKTPDUXQTBDE-JHJVBQTASA-N 2 0 258.431 1.317 10 0 CDAERP C[C@@H]1CN(C(=O)CC[C@H]([NH3+])c2ccccc2)C[C@@]1(C)C[NH3+] ZINC000521411030 391590916 /nfs/dbraw/zinc/59/09/16/391590916.db2.gz UWTDJOMBOXIBKH-UKPHBRMFSA-N 2 0 289.423 1.910 10 0 CDAERP CC[N@H+](CCNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)C1CC1 ZINC000417485734 391595210 /nfs/dbraw/zinc/59/52/10/391595210.db2.gz LUDNPAVQTBNWHP-CQSZACIVSA-N 2 0 280.416 1.007 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000417605841 391695388 /nfs/dbraw/zinc/69/53/88/391695388.db2.gz CLBQNJZXVYSYFW-LLVKDONJSA-N 2 0 292.374 1.015 10 0 CDAERP C[C@H](C[NH3+])NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000417658867 391723883 /nfs/dbraw/zinc/72/38/83/391723883.db2.gz JWNFTLZQJAGPQD-SNVBAGLBSA-N 2 0 282.363 1.034 10 0 CDAERP C[C@H](CC(=O)NCCc1ccccc1)[NH2+][C@@H](C)[C@H](C)[NH3+] ZINC000415016307 391724006 /nfs/dbraw/zinc/72/40/06/391724006.db2.gz NUXSYLYZPPQUBP-RDBSUJKOSA-N 2 0 277.412 1.449 10 0 CDAERP C[C@@H]1CC[C@H](C)C[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000362441942 391724716 /nfs/dbraw/zinc/72/47/16/391724716.db2.gz UKISOVISCYBBOU-UONOGXRCSA-N 2 0 293.455 1.850 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000418183225 391789425 /nfs/dbraw/zinc/78/94/25/391789425.db2.gz NZCOCRNQWLNFDA-PWNZVWSESA-N 2 0 292.427 1.713 10 0 CDAERP O=C(NC[C@@H]1CCC[N@@H+](CC2(F)CC2)C1)[C@H]1CCC[NH2+]1 ZINC000516181965 391808792 /nfs/dbraw/zinc/80/87/92/391808792.db2.gz CZNUIODRSVLHLR-QWHCGFSZSA-N 2 0 283.391 1.069 10 0 CDAERP O=C(NC[C@@H]1CCC[N@@H+](CC2(F)CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000516181966 391808960 /nfs/dbraw/zinc/80/89/60/391808960.db2.gz CZNUIODRSVLHLR-STQMWFEESA-N 2 0 283.391 1.069 10 0 CDAERP C[C@@H]1[C@H](C(=O)NCC2([NH3+])CCCCCC2)CC[N@@H+]1C ZINC000647654182 391812636 /nfs/dbraw/zinc/81/26/36/391812636.db2.gz AGQOBLGNJQFESB-CHWSQXEVSA-N 2 0 267.417 1.495 10 0 CDAERP CC1(C)CN(C(=O)[C@@]2(C)CCCC[NH2+]2)CC[C@H]1[NH3+] ZINC000261750779 392021199 /nfs/dbraw/zinc/02/11/99/392021199.db2.gz FEXNUEKKGMGMFT-BXUZGUMPSA-N 2 0 253.390 1.104 10 0 CDAERP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000261821481 392021969 /nfs/dbraw/zinc/02/19/69/392021969.db2.gz XZMCHPGKSZCKFN-BLLLJJGKSA-N 2 0 289.354 1.410 10 0 CDAERP NCC[N@H+](CCc1ccccc1)CC1CC[NH2+]CC1 ZINC000261783792 392023297 /nfs/dbraw/zinc/02/32/97/392023297.db2.gz POIXSXGFCVEMJW-UHFFFAOYSA-N 2 0 261.413 1.489 10 0 CDAERP CO[C@H](C)C[N@H+](C[C@H](O)CN(C)C1CC1)C(C)C ZINC000336788957 392031520 /nfs/dbraw/zinc/03/15/20/392031520.db2.gz HZGKTQJLKPTMOK-TZMCWYRMSA-N 2 0 258.406 1.187 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C1CCCCC1 ZINC000342857500 392048911 /nfs/dbraw/zinc/04/89/11/392048911.db2.gz TYCJBNYBGOZIHK-CQSZACIVSA-N 2 0 267.417 1.461 10 0 CDAERP C[N@@H+]1CCN(CC[NH2+][C@H]2CCCSC2)CC1(C)C ZINC000441337521 392234425 /nfs/dbraw/zinc/23/44/25/392234425.db2.gz CYSVTZFEOWVWPN-ZDUSSCGKSA-N 2 0 271.474 1.498 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1cc(F)ccc1OC ZINC000423064131 392310202 /nfs/dbraw/zinc/31/02/02/392310202.db2.gz QNVAOXOXEHINLR-CYBMUJFWSA-N 2 0 270.348 1.678 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000423092462 392337928 /nfs/dbraw/zinc/33/79/28/392337928.db2.gz BYWCVNFWSOIWJS-QWRGUYRKSA-N 2 0 250.333 1.765 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](CCC[NH3+])COC)C1 ZINC000423095850 392339242 /nfs/dbraw/zinc/33/92/42/392339242.db2.gz NESLSXTVHWHAFD-FRRDWIJNSA-N 2 0 272.389 1.062 10 0 CDAERP c1ccc([C@@H]2CC[C@H]([NH2+]CCN3CC[NH2+]CC3)C2)cc1 ZINC000423202703 285488122 /nfs/dbraw/zinc/48/81/22/285488122.db2.gz LBDAHGKBSXOJLS-SJORKVTESA-N 2 0 273.424 1.818 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccnc(C(F)(F)F)c1 ZINC000423151842 392391164 /nfs/dbraw/zinc/39/11/64/392391164.db2.gz CZFQQXZPQOKXIW-LLVKDONJSA-N 2 0 291.317 1.944 10 0 CDAERP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[C@H]1O ZINC000423166974 392405484 /nfs/dbraw/zinc/40/54/84/392405484.db2.gz ROWSYJSNYMTBFT-ARLBYUKCSA-N 2 0 262.397 1.696 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC000573932456 392469792 /nfs/dbraw/zinc/46/97/92/392469792.db2.gz LKAGQWOFNZVTEV-CVEARBPZSA-N 2 0 293.455 1.805 10 0 CDAERP O=C(C[C@@H]1CCC[NH2+]1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000645889748 392471931 /nfs/dbraw/zinc/47/19/31/392471931.db2.gz ZRPINEPSZDJQBM-NSHDSACASA-N 2 0 271.324 1.348 10 0 CDAERP Cn1cncc1CCC[N@@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000574098539 392514665 /nfs/dbraw/zinc/51/46/65/392514665.db2.gz PYJIQAYYXGRZFX-BMFZPTHFSA-N 2 0 293.411 1.215 10 0 CDAERP C[C@H]([NH2+]C[C@H](c1cccs1)N(C)C)[C@H]1CC[NH2+]C1 ZINC000400324771 392515785 /nfs/dbraw/zinc/51/57/85/392515785.db2.gz BAHWJUJVGJSMGO-RWMBFGLXSA-N 2 0 267.442 1.938 10 0 CDAERP CC(C)C1CC([NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000423384175 392568979 /nfs/dbraw/zinc/56/89/79/392568979.db2.gz JXXCATJFDJBOGE-BPCQOVAHSA-N 2 0 293.377 1.847 10 0 CDAERP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccc(-n2cnnn2)cc1 ZINC000423387737 392570116 /nfs/dbraw/zinc/57/01/16/392570116.db2.gz IAXVJLAQFKRYMM-XUJVJEKNSA-N 2 0 286.383 1.311 10 0 CDAERP C[N@@H+]1CC[C@H](NCCC[NH2+]C2CC2)[C@H]2CCC[C@@H]21 ZINC000423574450 392599382 /nfs/dbraw/zinc/59/93/82/392599382.db2.gz ZVVAGXPCAOSAGL-ILXRZTDVSA-N 2 0 251.418 1.591 10 0 CDAERP CC[C@H](O)CC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000448855140 392547318 /nfs/dbraw/zinc/54/73/18/392547318.db2.gz XLWJJCLAVQWFQL-GJZGRUSLSA-N 2 0 299.459 1.022 10 0 CDAERP C[C@@H](Cc1ccoc1)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000449134784 392664703 /nfs/dbraw/zinc/66/47/03/392664703.db2.gz LJRBPFJUPFFTCV-KBPBESRZSA-N 2 0 265.401 1.436 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](C3CC3)C[C@@H]2C)CC[N@@H+]1C ZINC000631770644 392654394 /nfs/dbraw/zinc/65/43/94/392654394.db2.gz JRVGHDMRSVAWSX-SPWCGHHHSA-N 2 0 279.428 1.316 10 0 CDAERP C[C@H]1C[C@@H](N(C)C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC[N@@H+]1C ZINC000377748912 393169620 /nfs/dbraw/zinc/16/96/20/393169620.db2.gz UEDOFJGVBNORTC-QCEMKRCNSA-N 2 0 293.455 1.563 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1ccc(C[NH3+])o1 ZINC000645951179 393426624 /nfs/dbraw/zinc/42/66/24/393426624.db2.gz HLTJQPYRZOGDAJ-VXGBXAGGSA-N 2 0 279.384 1.731 10 0 CDAERP C[C@H]([NH2+]C[C@@H](c1ccco1)N(C)C)[C@@H]1CC[NH2+]C1 ZINC000400331521 393455313 /nfs/dbraw/zinc/45/53/13/393455313.db2.gz BZBBVKYSIHCZSJ-XQQFMLRXSA-N 2 0 251.374 1.470 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CC2CC[NH2+]CC2)[C@H](C)C1 ZINC000178981836 140010276 /nfs/dbraw/zinc/01/02/76/140010276.db2.gz NKFNKIOIEWQVHY-HIFRSBDPSA-N 3 0 253.434 1.648 10 0 CDAERP CN1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CCC1=O ZINC000250653446 140305379 /nfs/dbraw/zinc/30/53/79/140305379.db2.gz XGJOAMMEUBBIRT-AAVRWANBSA-N 2 0 265.401 1.118 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000251431150 140308652 /nfs/dbraw/zinc/30/86/52/140308652.db2.gz SAHPPUWCHXMEAN-FRRDWIJNSA-N 2 0 255.406 1.206 10 0 CDAERP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000252367708 140317901 /nfs/dbraw/zinc/31/79/01/140317901.db2.gz CGSACSKFERGUIF-MCIONIFRSA-N 2 0 281.444 1.611 10 0 CDAERP Brc1cnn(CC[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000261579595 140354951 /nfs/dbraw/zinc/35/49/51/140354951.db2.gz MJMWWQJLLWUDNK-NSHDSACASA-N 2 0 287.205 1.377 10 0 CDAERP Cc1noc([C@H]2CCCN(C[C@@]3(C)CC[NH2+]C3)C2)n1 ZINC000261689492 140375707 /nfs/dbraw/zinc/37/57/07/140375707.db2.gz AZWYRRUFGBSBFQ-JSGCOSHPSA-N 2 0 264.373 1.557 10 0 CDAERP [NH3+]CCN(CCc1ccccc1)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000261727322 140380989 /nfs/dbraw/zinc/38/09/89/140380989.db2.gz MHQNITHWMHLMJW-GJZGRUSLSA-N 2 0 275.396 1.144 10 0 CDAERP c1ccc(CC[N@@H+]2CC[C@@H](CNC3=[NH+]CCCN3)C2)cc1 ZINC000261771166 140387279 /nfs/dbraw/zinc/38/72/79/140387279.db2.gz MSPIHYUTFOCFKP-INIZCTEOSA-N 2 0 286.423 1.490 10 0 CDAERP CO[C@@H](C[N@H+](C)CCC[NH+]1CCCC1)[C@@H]1CCOC1 ZINC000660463995 413143854 /nfs/dbraw/zinc/14/38/54/413143854.db2.gz KQERMDTWLMNJKD-CABCVRRESA-N 2 0 270.417 1.456 10 0 CDAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]([NH3+])C(C)C ZINC000394235217 397809043 /nfs/dbraw/zinc/80/90/43/397809043.db2.gz OJPHMSUYWAWHSO-HZSPNIEDSA-N 2 0 267.417 1.445 10 0 CDAERP C[C@H](CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)n1ccnc1 ZINC000651394975 397984137 /nfs/dbraw/zinc/98/41/37/397984137.db2.gz VHCHWOJQDXWUFS-FFHGMXDLSA-N 2 0 290.411 1.966 10 0 CDAERP CC[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@H](O)C(F)F ZINC000651399646 397986348 /nfs/dbraw/zinc/98/63/48/397986348.db2.gz XHCGQEOLSHLZKV-DLOVCJGASA-N 2 0 264.360 1.711 10 0 CDAERP COC1([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)CCOCC1 ZINC000453246505 292146435 /nfs/dbraw/zinc/14/64/35/292146435.db2.gz VGQUOSHUKXQFQX-OLZOCXBDSA-N 2 0 258.406 1.358 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000422889468 296582211 /nfs/dbraw/zinc/58/22/11/296582211.db2.gz PRHCQUIFEYVINZ-QPSCCSFWSA-N 2 0 253.434 1.837 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C1CCN(C2CC2)CC1 ZINC000658106553 413206248 /nfs/dbraw/zinc/20/62/48/413206248.db2.gz ILJGOYNYFBTTON-HNNXBMFYSA-N 2 0 296.503 1.475 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000105124974 147213412 /nfs/dbraw/zinc/21/34/12/147213412.db2.gz LIRCZWCUDBBWKI-CHWSQXEVSA-N 2 0 284.448 1.499 10 0 CDAERP CCn1nccc1C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000179516522 148118208 /nfs/dbraw/zinc/11/82/08/148118208.db2.gz AFTFHDGPCWEFGD-CQSZACIVSA-N 2 0 294.443 1.428 10 0 CDAERP CC1(C)CN(C(=O)[C@H]([NH3+])Cc2ccccc2)CC[C@H]1[NH3+] ZINC000262073801 149009798 /nfs/dbraw/zinc/00/97/98/149009798.db2.gz SOTCHFFIMBRTSD-ZIAGYGMSSA-N 2 0 275.396 1.142 10 0 CDAERP Cc1ccc([C@H](CNC(=O)C2C[NH2+]C2)[NH+]2CCCC2)o1 ZINC000262276932 149045245 /nfs/dbraw/zinc/04/52/45/149045245.db2.gz UZONTSGFRHMAPR-ZDUSSCGKSA-N 2 0 277.368 1.061 10 0 CDAERP CC1CC[NH+](CC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000335018852 150192584 /nfs/dbraw/zinc/19/25/84/150192584.db2.gz SYYYTEYRHJVVLR-YIONKMFJSA-N 2 0 279.428 1.460 10 0 CDAERP C[C@H]1CC[NH2+][C@@H](C(=O)N2CCC(c3ncc[nH]3)CC2)C1 ZINC000335062619 150247599 /nfs/dbraw/zinc/24/75/99/150247599.db2.gz KZFAEHBGPRLPPJ-WCQYABFASA-N 2 0 276.384 1.504 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000335604633 150837298 /nfs/dbraw/zinc/83/72/98/150837298.db2.gz OSOYMWZDCCHECR-CHWSQXEVSA-N 2 0 265.401 1.214 10 0 CDAERP CC[NH+](CC)CCCNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662658682 413261387 /nfs/dbraw/zinc/26/13/87/413261387.db2.gz IHLTVPRWAKAVSO-UHFFFAOYSA-N 2 0 267.417 1.496 10 0 CDAERP C[C@@H]1C[N@H+](C)C[C@H]1NCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000343565508 152226036 /nfs/dbraw/zinc/22/60/36/152226036.db2.gz HSNNTNHFFHCNNM-QKPAOTATSA-N 2 0 267.461 1.894 10 0 CDAERP C[C@@H]1CO[C@H](CO)CN1Cc1cc(-n2ccnc2)cs1 ZINC000346162422 153078683 /nfs/dbraw/zinc/07/86/83/153078683.db2.gz GJHUMIHWGZQXAQ-YPMHNXCESA-N 2 0 293.392 1.515 10 0 CDAERP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)C[NH+]1CCCCC1 ZINC000347024362 153383263 /nfs/dbraw/zinc/38/32/63/153383263.db2.gz DFVMFZSVHLIVDS-OAHLLOKOSA-N 2 0 295.471 1.957 10 0 CDAERP C[NH+](CCNC(=O)NCC[N@@H+](C)C1CC1)C1CCCCC1 ZINC000352731350 155398129 /nfs/dbraw/zinc/39/81/29/155398129.db2.gz MPGSBBQYYZEPOX-UHFFFAOYSA-N 2 0 296.459 1.644 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001664760180 1172904902 /nfs/dbraw/zinc/90/49/02/1172904902.db2.gz NBTTYFOWSMATST-HZPDHXFCSA-N 2 0 295.471 1.957 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]1C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000662684739 413312069 /nfs/dbraw/zinc/31/20/69/413312069.db2.gz HUWFIESYJNJUSD-RRFJBIMHSA-N 2 0 289.379 1.413 10 0 CDAERP CC(C)C[C@H]([NH3+])C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000662688430 413316474 /nfs/dbraw/zinc/31/64/74/413316474.db2.gz PDGZXVYWYGBPFV-LSDHHAIUSA-N 2 0 291.395 1.659 10 0 CDAERP CCN(C(=O)N[C@@H]1C[C@@H](C)[NH+](C2CC2)C1)[C@H]1CC[N@H+](C)C1 ZINC000664366700 413318980 /nfs/dbraw/zinc/31/89/80/413318980.db2.gz BIFQUOQTCYMFDG-NFAWXSAZSA-N 2 0 294.443 1.347 10 0 CDAERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H](CC(=O)OC)[C@H]2C)C1 ZINC000354166581 156301896 /nfs/dbraw/zinc/30/18/96/156301896.db2.gz UNFQUXFKFNOBCM-KBUPBQIOSA-N 2 0 282.428 1.896 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]CC2CCC(O)CC2)[C@H](C)C1 ZINC000658283281 413333653 /nfs/dbraw/zinc/33/36/53/413333653.db2.gz FCEIPYKBXNNHNG-URGYJCLVSA-N 2 0 254.418 1.857 10 0 CDAERP C[C@H](CNC(=O)CC[C@H]1CCCC[N@@H+]1C)C[NH+](C)C ZINC000355741453 157212026 /nfs/dbraw/zinc/21/20/26/157212026.db2.gz MFLLWBJTBCTNBO-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCNc1cc[nH+]cc1 ZINC000362840315 159249464 /nfs/dbraw/zinc/24/94/64/159249464.db2.gz KAQQFXXGUUUDMN-LBPRGKRZSA-N 2 0 278.400 1.198 10 0 CDAERP CC[C@@](C)(O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000364006381 159363696 /nfs/dbraw/zinc/36/36/96/159363696.db2.gz WPDJEVROVVQSPG-MRXNPFEDSA-N 2 0 284.444 1.582 10 0 CDAERP C[NH+](C)Cc1cc(CNC(=O)[C@H]2C[C@H]([NH3+])C2)ccc1F ZINC000662732223 413401289 /nfs/dbraw/zinc/40/12/89/413401289.db2.gz OYPKFEWYNHXNCO-AULYBMBSSA-N 2 0 279.359 1.241 10 0 CDAERP C[NH+](C)CC[C@H](NC(=O)CC1([NH3+])CC1)C(C)(C)C ZINC000662735834 413406712 /nfs/dbraw/zinc/40/67/12/413406712.db2.gz YEMHKRJZABDLFT-NSHDSACASA-N 2 0 255.406 1.350 10 0 CDAERP C[C@@H](NC(=O)C1([NH2+]C2CC2)CCC1)C(C)(C)C[NH+](C)C ZINC000662746870 413420638 /nfs/dbraw/zinc/42/06/38/413420638.db2.gz XYRGAQYYRJMHHX-GFCCVEGCSA-N 2 0 281.444 1.754 10 0 CDAERP [NH3+][C@H]1CCC[C@@H](NC(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662770284 413469272 /nfs/dbraw/zinc/46/92/72/413469272.db2.gz OGBMSQYKCYNOMY-CMPLNLGQSA-N 2 0 251.374 1.047 10 0 CDAERP CCC[NH+]1CCN(Cc2ccc(C[NH3+])cc2F)CC1 ZINC000019402049 170785362 /nfs/dbraw/zinc/78/53/62/170785362.db2.gz ZAHLSCVLJKFBBY-UHFFFAOYSA-N 2 0 265.376 1.812 10 0 CDAERP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CCCCNC1=O ZINC000020049270 170979023 /nfs/dbraw/zinc/97/90/23/170979023.db2.gz LOBUFTQCHPGPEO-ZIAGYGMSSA-N 2 0 269.433 1.755 10 0 CDAERP CCC[NH+]1CCN([C@@H](C[NH3+])c2cccc(OC)c2)CC1 ZINC000020179574 171044487 /nfs/dbraw/zinc/04/44/87/171044487.db2.gz BNHWHPXSSNSMOP-INIZCTEOSA-N 2 0 277.412 1.723 10 0 CDAERP C[C@H]1C[N@H+](CCC(=O)Nc2cccc(C[NH3+])c2)CCO1 ZINC000022152469 171359676 /nfs/dbraw/zinc/35/96/76/171359676.db2.gz CRQLXVOBUVJCBB-LBPRGKRZSA-N 2 0 277.368 1.195 10 0 CDAERP C[NH+]1CCN([C@@H](C[NH3+])c2ccccc2C(F)(F)F)CC1 ZINC000022176297 171370441 /nfs/dbraw/zinc/37/04/41/171370441.db2.gz LSDPKYBNTHJDHM-ZDUSSCGKSA-N 2 0 287.329 1.953 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccccc1C[NH2+]C ZINC000653214357 412141191 /nfs/dbraw/zinc/14/11/91/412141191.db2.gz QWYNGAKBPAKFEF-GJZGRUSLSA-N 2 0 275.396 1.410 10 0 CDAERP [NH3+]C[C@H]1CC[C@H](CNC(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000662780995 413488016 /nfs/dbraw/zinc/48/80/16/413488016.db2.gz UCXBOAVTPDPCKM-JOCQHMNTSA-N 2 0 279.428 1.542 10 0 CDAERP CC[C@H]([NH2+]C)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000662821265 413545619 /nfs/dbraw/zinc/54/56/19/413545619.db2.gz DLTVTRXCSWRRCP-KBPBESRZSA-N 2 0 261.369 1.069 10 0 CDAERP C[C@H](NC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1nccn1C ZINC000660867504 413601786 /nfs/dbraw/zinc/60/17/86/413601786.db2.gz ALKDLCQOUROTSG-WOPDTQHZSA-N 2 0 291.399 1.406 10 0 CDAERP C[NH+]1CCC2(CC1)C[N@H+](CC1CC=CC1)CCO2 ZINC000660903777 413636759 /nfs/dbraw/zinc/63/67/59/413636759.db2.gz KRGZJSFUNJOOJB-UHFFFAOYSA-N 2 0 250.386 1.749 10 0 CDAERP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H](CCF)C2)C1 ZINC000656792190 413672371 /nfs/dbraw/zinc/67/23/71/413672371.db2.gz PMGZRYOLHQXGDF-ZIAGYGMSSA-N 2 0 285.407 1.255 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000664718297 413612484 /nfs/dbraw/zinc/61/24/84/413612484.db2.gz BYUJXGXYSQRSRR-STQMWFEESA-N 2 0 269.433 1.611 10 0 CDAERP C[C@H](CCNC(=O)C1([NH3+])CC2(CCC2)C1)[NH+](C)C ZINC000662860656 413621013 /nfs/dbraw/zinc/62/10/13/413621013.db2.gz SVXJKUNGPLQHES-LLVKDONJSA-N 2 0 253.390 1.104 10 0 CDAERP C[NH2+]C[C@H](C)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659365705 413749376 /nfs/dbraw/zinc/74/93/76/413749376.db2.gz HUVUFZOTECKKIX-SMDDNHRTSA-N 2 0 277.368 1.142 10 0 CDAERP C[NH+](C)CCC[C@H]1CN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CCO1 ZINC000662973596 413765024 /nfs/dbraw/zinc/76/50/24/413765024.db2.gz RTZYHXBRCCSQAC-SOUVJXGZSA-N 2 0 297.443 1.073 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCC1([NH3+])CCCC1 ZINC000659451494 413835758 /nfs/dbraw/zinc/83/57/58/413835758.db2.gz FKDBFKALJNZNNC-KBPBESRZSA-N 2 0 296.459 1.820 10 0 CDAERP C[C@@H]1C[C@H](NCC23CC(C2)C[NH2+]3)C[N@@H+]1Cc1ccccc1 ZINC000665278165 414016326 /nfs/dbraw/zinc/01/63/26/414016326.db2.gz WMWGEXWTWSZBAW-YKWDICOMSA-N 2 0 285.435 1.991 10 0 CDAERP CC[C@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)[C@@H]1CCC[NH2+]1 ZINC000665235061 413962679 /nfs/dbraw/zinc/96/26/79/413962679.db2.gz OZVJYJNDIBMBFX-STQMWFEESA-N 2 0 288.457 1.322 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCc2cc(N)ccc21 ZINC000665273465 414004809 /nfs/dbraw/zinc/00/48/09/414004809.db2.gz XPLKSGVWQCZJRO-MVWHLILJSA-N 2 0 275.396 1.598 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[C@@H]([NH3+])C(C)C)[C@H](C)C1 ZINC000659622257 414032706 /nfs/dbraw/zinc/03/27/06/414032706.db2.gz PMUCEXZUIGMBFZ-KFWWJZLASA-N 2 0 298.475 1.732 10 0 CDAERP CCN(CC)C(=O)C[N@H+](CCC[NH3+])C1CCCCC1 ZINC000037299763 173105413 /nfs/dbraw/zinc/10/54/13/173105413.db2.gz DXQOTYPZFUWBDC-UHFFFAOYSA-N 2 0 269.433 1.838 10 0 CDAERP C[NH+](C)[C@H]1CCCN(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000665366317 414119459 /nfs/dbraw/zinc/11/94/59/414119459.db2.gz WIWKSNBUYYKTIG-KBPBESRZSA-N 2 0 296.459 1.595 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cc3n(n2)CCCC3)C1 ZINC000655825103 414231353 /nfs/dbraw/zinc/23/13/53/414231353.db2.gz WULVWFDDZHXIBC-JNSHFYNHSA-N 2 0 262.401 1.649 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cccc3c2OCCO3)C1 ZINC000655827306 414236528 /nfs/dbraw/zinc/23/65/28/414236528.db2.gz QYQNDJNBMFLRBK-XBXGTLAGSA-N 2 0 276.380 1.888 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCC([NH+](C)C)CC2)C1 ZINC000659839859 414171382 /nfs/dbraw/zinc/17/13/82/414171382.db2.gz ZBKZZSXWTRORGA-GASCZTMLSA-N 2 0 267.461 1.990 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC000655803074 414196472 /nfs/dbraw/zinc/19/64/72/414196472.db2.gz MJJOSOBMNQNDNE-MTSZKFMLSA-N 2 0 297.487 1.804 10 0 CDAERP CC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1nccn1C ZINC000655805673 414198051 /nfs/dbraw/zinc/19/80/51/414198051.db2.gz RDTKWEUJELSXKU-FRRDWIJNSA-N 2 0 250.390 1.801 10 0 CDAERP CCC[C@@](C)(O)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657359251 414215800 /nfs/dbraw/zinc/21/58/00/414215800.db2.gz KGHHYMOGIIYZDQ-OAHLLOKOSA-N 2 0 274.368 1.908 10 0 CDAERP CC[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CO1 ZINC000657399983 414285030 /nfs/dbraw/zinc/28/50/30/414285030.db2.gz KHTSMMTYYXTVEQ-YVSFHVDLSA-N 2 0 296.455 1.911 10 0 CDAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NCC12CC(C1)C[NH2+]2 ZINC000663498255 414297304 /nfs/dbraw/zinc/29/73/04/414297304.db2.gz NYQJGJFNMGFLGM-CCGTUFIJSA-N 2 0 285.435 1.849 10 0 CDAERP [NH3+]C[C@H](NCc1nc2c(s1)C[NH2+]CC2)C1CCCC1 ZINC000663499263 414299050 /nfs/dbraw/zinc/29/90/50/414299050.db2.gz VOGQMOPMPZJNGA-LBPRGKRZSA-N 2 0 280.441 1.396 10 0 CDAERP CC(C)NC(=O)[C@H]1CCC[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000663502236 414300821 /nfs/dbraw/zinc/30/08/21/414300821.db2.gz GFCHBJYEWIZUPC-KKUMJFAQSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@@H](CO)CCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657418642 414306767 /nfs/dbraw/zinc/30/67/67/414306767.db2.gz BZSIJJWNQPZTNU-CYBMUJFWSA-N 2 0 274.368 1.766 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+]CC2(F)CC2)CC1 ZINC000663506472 414310217 /nfs/dbraw/zinc/31/02/17/414310217.db2.gz RRBKGICSJNSPRL-UHFFFAOYSA-N 2 0 271.380 1.069 10 0 CDAERP COC[C@H](C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)OC ZINC000659974629 414311437 /nfs/dbraw/zinc/31/14/37/414311437.db2.gz OGAHTYNYQBWYHP-CABCVRRESA-N 2 0 270.417 1.312 10 0 CDAERP Cc1cc(NCC[NH2+]C[C@@H](C)O)nc(C(C)C)n1 ZINC000132316875 414391152 /nfs/dbraw/zinc/39/11/52/414391152.db2.gz MHGJASWVUMORQF-LLVKDONJSA-N 2 0 252.362 1.291 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+]Cc1cc2n(n1)CCC2 ZINC000657433371 414322411 /nfs/dbraw/zinc/32/24/11/414322411.db2.gz SALORTZQVNTDMG-UHFFFAOYSA-N 2 0 280.416 1.277 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](COC)OC)C[C@H]1C ZINC000659983940 414326367 /nfs/dbraw/zinc/32/63/67/414326367.db2.gz YQBORBNEZKZYPI-RDBSUJKOSA-N 2 0 258.406 1.452 10 0 CDAERP CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657439765 414327977 /nfs/dbraw/zinc/32/79/77/414327977.db2.gz FWRNDRDTCAADCI-KBPBESRZSA-N 2 0 272.352 1.516 10 0 CDAERP C[NH2+]CCC[NH2+][C@@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000662310225 414631819 /nfs/dbraw/zinc/63/18/19/414631819.db2.gz IFXPVSRQZOGECK-UONOGXRCSA-N 2 0 250.390 1.330 10 0 CDAERP CC[NH+]1CCC([C@@H](C)[NH2+]C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000038083216 174092771 /nfs/dbraw/zinc/09/27/71/174092771.db2.gz XAVWYRKORXOCBB-OLZOCXBDSA-N 2 0 288.457 1.131 10 0 CDAERP NC(=[NH2+])c1ccc(COc2cccc(C(N)=[NH2+])c2)cc1 ZINC000038892235 174158902 /nfs/dbraw/zinc/15/89/02/174158902.db2.gz NBSSRCDXIQXUCE-UHFFFAOYSA-N 2 0 268.320 1.834 10 0 CDAERP COc1ccc(C[NH+](C)C)cc1N[C@@H]1CCC[NH2+]C1 ZINC000043326173 175007645 /nfs/dbraw/zinc/00/76/45/175007645.db2.gz KHUVJEVYZGMIHR-CYBMUJFWSA-N 2 0 263.385 1.921 10 0 CDAERP C[C@@H]([NH3+])[C@H](c1ccco1)N(C)C1CC[NH+](C)CC1 ZINC000043334451 175010777 /nfs/dbraw/zinc/01/07/77/175010777.db2.gz ZZTXJBFZUVDHKD-BXUZGUMPSA-N 2 0 251.374 1.694 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000043591503 175074011 /nfs/dbraw/zinc/07/40/11/175074011.db2.gz JLQRMMOFIDSJKX-ZIAGYGMSSA-N 2 0 269.433 1.469 10 0 CDAERP CC[NH2+][C@H](CN1CC[NH+](CC)CC1)c1cccc(OC)c1 ZINC000043806046 175108338 /nfs/dbraw/zinc/10/83/38/175108338.db2.gz HOFNATWMZCVPKX-QGZVFWFLSA-N 2 0 291.439 1.983 10 0 CDAERP CC[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccc(OCC)cc1 ZINC000043810782 175110145 /nfs/dbraw/zinc/11/01/45/175110145.db2.gz QGNRDWCRERMIMG-KRWDZBQOSA-N 2 0 291.439 1.983 10 0 CDAERP C[NH2+][C@H]1CCC2(C[C@H]1[N@@H+]1CCC[C@@H]1C)OCCO2 ZINC000043902709 175122341 /nfs/dbraw/zinc/12/23/41/175122341.db2.gz HEKDCSLBALYXFK-RWMBFGLXSA-N 2 0 254.374 1.354 10 0 CDAERP CC[NH2+][C@@H]1CCOC[C@H]1N(CC[NH+](C)C)CC(C)C ZINC000043982294 175133881 /nfs/dbraw/zinc/13/38/81/175133881.db2.gz PRBAPXMQOKCLFI-HUUCEWRRSA-N 2 0 271.449 1.273 10 0 CDAERP [NH3+]C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC000044794342 175254274 /nfs/dbraw/zinc/25/42/74/175254274.db2.gz ZHLNUVMTMOSGNK-HZPDHXFCSA-N 2 0 287.407 1.014 10 0 CDAERP CC[NH2+][C@](C)(CCC[NH+]1CCCCCCC1)C(N)=O ZINC000045371614 175364148 /nfs/dbraw/zinc/36/41/48/175364148.db2.gz FZCLNBYGVLEMSG-OAHLLOKOSA-N 2 0 269.433 1.886 10 0 CDAERP CC[NH2+][C@](C)(CCC[N@@H+]1CCc2ccccc2C1)C(N)=O ZINC000045378796 175368238 /nfs/dbraw/zinc/36/82/38/175368238.db2.gz ZXLWSMGFFRGAPJ-QGZVFWFLSA-N 2 0 289.423 1.678 10 0 CDAERP CCC[NH2+][C@@](C)(CCC[N@H+](CC)CCC)C(N)=O ZINC000045387114 175372989 /nfs/dbraw/zinc/37/29/89/175372989.db2.gz NVMJZZAVMHAXBI-AWEZNQCLSA-N 2 0 257.422 1.742 10 0 CDAERP CCC[NH2+][C@](C)(CCC[N@H+](C)[C@@H](C)C1CC1)C(N)=O ZINC000045393051 175375679 /nfs/dbraw/zinc/37/56/79/175375679.db2.gz QXXCZDXVUCBEPL-SWLSCSKDSA-N 2 0 269.433 1.741 10 0 CDAERP CCC[NH2+][C@@H]1CCCN([C@H]2CCC[N@H+](C)C2)C1=O ZINC000071031093 176022720 /nfs/dbraw/zinc/02/27/20/176022720.db2.gz NIFMYHFSDWMYOR-QWHCGFSZSA-N 2 0 253.390 1.071 10 0 CDAERP CCC[NH2+][C@@H]1CCCN([C@H](C[NH+](C)C)C(C)C)C1=O ZINC000071034260 176023992 /nfs/dbraw/zinc/02/39/92/176023992.db2.gz IXQHMFOKVIVPNH-ZIAGYGMSSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)[NH2+][C@H]1CCN(C[C@@H]2CCCC[N@@H+]2C)C1=O ZINC000071033643 176024085 /nfs/dbraw/zinc/02/40/85/176024085.db2.gz JTPOIIUMWIZGLL-STQMWFEESA-N 2 0 253.390 1.070 10 0 CDAERP CCC[NH2+][C@@H]1CCCN([C@H]2CCC[N@H+](CC)C2)C1=O ZINC000071033620 176024467 /nfs/dbraw/zinc/02/44/67/176024467.db2.gz WPEUKJGVNLWEJB-UONOGXRCSA-N 2 0 267.417 1.461 10 0 CDAERP CC[NH2+][C@H]1CCN([C@H](C)CCC[NH+](CC)CC)C1=O ZINC000071038086 176026455 /nfs/dbraw/zinc/02/64/55/176026455.db2.gz BAMPCCDLMCAIDT-KGLIPLIRSA-N 2 0 269.433 1.707 10 0 CDAERP C[C@H]([NH3+])[C@H](c1ccccn1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071187990 176061162 /nfs/dbraw/zinc/06/11/62/176061162.db2.gz IZRYGWCLSTUZIP-GZBFAFLISA-N 2 0 262.401 1.353 10 0 CDAERP COc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](C)C2)cc1N ZINC000071187763 176061386 /nfs/dbraw/zinc/06/13/86/176061386.db2.gz KOOPIZYLAFBJQF-CYBMUJFWSA-N 2 0 263.385 1.661 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1cccc(CC[NH3+])c1 ZINC000071188039 176061918 /nfs/dbraw/zinc/06/19/18/176061918.db2.gz LYWNYQXEGSYXOR-CQSZACIVSA-N 2 0 275.396 1.212 10 0 CDAERP CC[C@@H]1CC[C@H](O)[C@H]([N@H+](C)C[C@@H]2CC[NH+](C)C2)C1 ZINC000071190603 176066688 /nfs/dbraw/zinc/06/66/88/176066688.db2.gz HQDYPIRCXWVZNR-TUVASFSCSA-N 2 0 254.418 1.810 10 0 CDAERP CN(C[C@H]([NH3+])Cc1ccccc1)C[C@@H]1CC[N@H+](C)C1 ZINC000071190865 176067440 /nfs/dbraw/zinc/06/74/40/176067440.db2.gz LJGLVNBXDXMMDV-HZPDHXFCSA-N 2 0 261.413 1.440 10 0 CDAERP CN(C[C@H]1CC[N@H+](C)C1)c1ncccc1C[NH2+]C1CC1 ZINC000071191652 176069778 /nfs/dbraw/zinc/06/97/78/176069778.db2.gz ACBXBSRLZJIISP-ZDUSSCGKSA-N 2 0 274.412 1.722 10 0 CDAERP CCC[NH2+]Cc1cccnc1N(C)C[C@H]1CC[N@H+](C)C1 ZINC000071191649 176069833 /nfs/dbraw/zinc/06/98/33/176069833.db2.gz FSDBTUBPZDXYTI-AWEZNQCLSA-N 2 0 276.428 1.969 10 0 CDAERP C[NH2+]C[C@@H](c1ccccc1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192094 176073719 /nfs/dbraw/zinc/07/37/19/176073719.db2.gz VEIZRMUGSVEEFO-ZBFHGGJFSA-N 2 0 261.413 1.831 10 0 CDAERP CN(C[C@H]1CC[N@H+](C)C1)C(=O)CC1CCC([NH3+])CC1 ZINC000071193267 176075488 /nfs/dbraw/zinc/07/54/88/176075488.db2.gz MAMWQCNOQZOXKP-MOKVOYLWSA-N 2 0 267.417 1.304 10 0 CDAERP CN1CCC([N@H+](C)Cc2ccc(F)cc2C[NH3+])CC1 ZINC000071249903 176094953 /nfs/dbraw/zinc/09/49/53/176094953.db2.gz SIZLOHVKWCPTCA-UHFFFAOYSA-N 2 0 265.376 1.810 10 0 CDAERP CN(Cc1ccc(F)cc1C(N)=[NH2+])C1CC[NH+](C)CC1 ZINC000071267574 176100999 /nfs/dbraw/zinc/10/09/99/176100999.db2.gz VOAFIACAWXDDLF-UHFFFAOYSA-N 2 0 278.375 1.636 10 0 CDAERP CCC[NH+]1CCC([C@@H](C)[NH2+]C[C@@H](O)C2CC2)CC1 ZINC000071300895 176113487 /nfs/dbraw/zinc/11/34/87/176113487.db2.gz BCMVXZVBIKGJFY-IUODEOHRSA-N 2 0 254.418 1.857 10 0 CDAERP CCN(C[C@@H]1C[N@H+](CC(C)C)CCO1)[C@@H]1CC[NH2+]C1 ZINC000071313732 176120204 /nfs/dbraw/zinc/12/02/04/176120204.db2.gz MHOPUBMEPGLVCJ-CABCVRRESA-N 2 0 269.433 1.027 10 0 CDAERP CCC1(C(=O)NCC[N@H+](C)C2CCCC2)CC[NH2+]CC1 ZINC000071378473 176142740 /nfs/dbraw/zinc/14/27/40/176142740.db2.gz ZXTSATWBZRVEPN-UHFFFAOYSA-N 2 0 281.444 1.757 10 0 CDAERP CC[C@](C)(C[NH2+]C(C)C)CN1CC[NH+](CC(C)(C)O)CC1 ZINC000071381728 176145558 /nfs/dbraw/zinc/14/55/58/176145558.db2.gz VSJBRIZZXKLDGA-QGZVFWFLSA-N 2 0 299.503 1.789 10 0 CDAERP CCC[NH2+][C@@H]1CCC[C@H]1CN1CC[NH+](CC(C)(C)O)CC1 ZINC000071381824 176145678 /nfs/dbraw/zinc/14/56/78/176145678.db2.gz VBGBZKIXBQMFTL-JKSUJKDBSA-N 2 0 297.487 1.543 10 0 CDAERP [NH3+]CCCN1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000078527320 177350580 /nfs/dbraw/zinc/35/05/80/177350580.db2.gz HMORXGJJHXTLKX-UHFFFAOYSA-N 2 0 272.396 1.634 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000417847718 226666822 /nfs/dbraw/zinc/66/68/22/226666822.db2.gz ZOQMFSSVCIAUDR-GXTWGEPZSA-N 2 0 263.385 1.710 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000417931946 227219164 /nfs/dbraw/zinc/21/91/64/227219164.db2.gz LSDAPIARHAISDV-OKZRHMCRSA-N 2 0 270.421 1.142 10 0 CDAERP CCC[C@H](C)[C@@H](CO)[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000517943083 260323634 /nfs/dbraw/zinc/32/36/34/260323634.db2.gz LTOPYNNAPWOLEQ-DLBZAZTESA-N 2 0 299.503 1.789 10 0 CDAERP C([C@@H]1CCOC1)[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662250782 423791605 /nfs/dbraw/zinc/79/16/05/423791605.db2.gz NVYCQPSFFBAFAI-JSGCOSHPSA-N 2 0 266.385 1.008 10 0 CDAERP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000662256571 423799629 /nfs/dbraw/zinc/79/96/29/423799629.db2.gz JVTDOOJLWRJLDP-UONOGXRCSA-N 2 0 250.386 1.772 10 0 CDAERP CO[C@H](C[N@H+](C)CCN1CC[NH2+]CC1)C1CCCCC1 ZINC000662245627 423782904 /nfs/dbraw/zinc/78/29/04/423782904.db2.gz MEONCXLTURVWDZ-MRXNPFEDSA-N 2 0 283.460 1.419 10 0 CDAERP C[NH+](C)CCC[C@H]1C[N@H+](C[C@H]2CCCCO2)CCO1 ZINC000662316113 423948308 /nfs/dbraw/zinc/94/83/08/423948308.db2.gz IKJITRFXVFWWTA-CABCVRRESA-N 2 0 270.417 1.598 10 0 CDAERP C(N[C@H]1CC[NH2+]C2(CCC2)C1)c1nc2c(s1)C[NH2+]CC2 ZINC000663496422 423889957 /nfs/dbraw/zinc/88/99/57/423889957.db2.gz GDKMAHOGKHHPBV-NSHDSACASA-N 2 0 292.452 1.553 10 0 CDAERP FC1(F)CC12CC[NH+](C[C@@H]1CCC3(C[NH2+]C3)O1)CC2 ZINC000662284412 423895879 /nfs/dbraw/zinc/89/58/79/423895879.db2.gz HHPAMXVTWHXNRF-NSHDSACASA-N 2 0 272.339 1.629 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+]C[C@@H]2C[C@H]2C)CC1 ZINC000663506893 423899040 /nfs/dbraw/zinc/89/90/40/423899040.db2.gz WZZMCNNXGRXGQO-OLZOCXBDSA-N 2 0 267.417 1.223 10 0 CDAERP Cc1nc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)co1 ZINC000662287102 423914878 /nfs/dbraw/zinc/91/48/78/423914878.db2.gz WAEBDLXJVANLAM-YDHLFZDLSA-N 2 0 279.384 1.701 10 0 CDAERP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NCCC1CC[NH2+]CC1 ZINC000653268581 423984623 /nfs/dbraw/zinc/98/46/23/423984623.db2.gz UBUHVNHBNWDGSX-LSDHHAIUSA-N 2 0 281.444 1.790 10 0 CDAERP CN(C(=O)NCCC1(C[NH3+])CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000652234577 424112515 /nfs/dbraw/zinc/11/25/15/424112515.db2.gz BJDQQOFVTPTITF-PBWFPOADSA-N 2 0 294.443 1.382 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N(C)CC(C)(C)C[NH3+] ZINC000652292093 424198277 /nfs/dbraw/zinc/19/82/77/424198277.db2.gz XHUDYTBMLFSQTJ-UHFFFAOYSA-N 2 0 292.427 1.532 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H]1[NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000518959936 265250445 /nfs/dbraw/zinc/25/04/45/265250445.db2.gz SEJPMFLKMGGCKM-LVQVYYBASA-N 2 0 293.455 1.885 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000518999045 265291143 /nfs/dbraw/zinc/29/11/43/265291143.db2.gz UZOLNBZKOVLFAG-RLAWYHOSSA-N 2 0 265.401 1.070 10 0 CDAERP CN(C(=O)[C@H]1[NH2+]CCC1(C)C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000662720284 424373596 /nfs/dbraw/zinc/37/35/96/424373596.db2.gz YOJXFELWKAKYBS-CHWSQXEVSA-N 2 0 265.401 1.070 10 0 CDAERP O=C(NC1CC([NH+]2CCCCC2)C1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653151511 424387716 /nfs/dbraw/zinc/38/77/16/424387716.db2.gz JBEKIRMHQPKLJB-QDIHITRGSA-N 2 0 291.439 1.650 10 0 CDAERP C[C@H]1C[C@H](NC(=O)c2ccccc2CC[NH3+])CC[NH2+]1 ZINC000653136039 424348063 /nfs/dbraw/zinc/34/80/63/424348063.db2.gz YLGJIAGTIFXSRI-WCQYABFASA-N 2 0 261.369 1.058 10 0 CDAERP C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)CS1 ZINC000655698748 424436514 /nfs/dbraw/zinc/43/65/14/424436514.db2.gz WTUCLAWLPUUXAO-FRRDWIJNSA-N 2 0 258.431 1.317 10 0 CDAERP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655483168 424481923 /nfs/dbraw/zinc/48/19/23/424481923.db2.gz FJFBSDPULKCGBV-JFIYKMOQSA-N 2 0 299.418 1.461 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662827467 424511437 /nfs/dbraw/zinc/51/14/37/424511437.db2.gz JWDJHAGHNHLVLU-ZDUSSCGKSA-N 2 0 269.433 1.469 10 0 CDAERP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)O1 ZINC000665264641 424479885 /nfs/dbraw/zinc/47/98/85/424479885.db2.gz FFBIVQNHYBGSBF-RBGFHDKUSA-N 2 0 282.428 1.691 10 0 CDAERP CN1C(=O)c2ccccc2[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000530222100 271163023 /nfs/dbraw/zinc/16/30/23/271163023.db2.gz FQMOMYGMZSERFN-WQVCFCJDSA-N 2 0 287.407 1.920 10 0 CDAERP O[C@H](CNC[C@@H]1CC[N@@H+]1C1CCCCC1)C[NH+]1CCCC1 ZINC000530236739 271176702 /nfs/dbraw/zinc/17/67/02/271176702.db2.gz QROCKVTXJSXDRO-DLBZAZTESA-N 2 0 295.471 1.440 10 0 CDAERP CC[NH+](CC)CCC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530239733 271177426 /nfs/dbraw/zinc/17/74/26/271177426.db2.gz HLHFGKPHWRLDTA-KRWDZBQOSA-N 3 0 297.487 1.809 10 0 CDAERP C(C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1)OCC1CC1 ZINC000530243073 271179508 /nfs/dbraw/zinc/17/95/08/271179508.db2.gz VQMBWAAJNNHGKT-INIZCTEOSA-N 2 0 282.428 1.504 10 0 CDAERP COC[C@H](C)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530247969 271183186 /nfs/dbraw/zinc/18/31/86/271183186.db2.gz FLSIICWXACOTKW-UKRRQHHQSA-N 2 0 270.417 1.359 10 0 CDAERP COc1ccc2c(c1)[nH+]c(C)cc2N1CC[NH2+]CC1 ZINC000040175108 274139818 /nfs/dbraw/zinc/13/98/18/274139818.db2.gz PPBBYJQPHCXKDW-UHFFFAOYSA-N 2 0 257.337 1.961 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](CC)C(C)C ZINC000349058442 276259165 /nfs/dbraw/zinc/25/91/65/276259165.db2.gz QBGJENOGJPEQCA-CQSZACIVSA-N 2 0 269.433 1.707 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCC(=O)N2CCCCC2)[C@@H]2CCC[C@@H]21 ZINC000367625303 277170510 /nfs/dbraw/zinc/17/05/10/277170510.db2.gz LCXQZLLECLYSOQ-JYJNAYRXSA-N 2 0 293.455 1.851 10 0 CDAERP C[N@H+]1C[C@@H]2C[NH+]([C@@H]3Cc4ccccc4[C@@H]3O)C[C@@H]2C1 ZINC000193648335 277198765 /nfs/dbraw/zinc/19/87/65/277198765.db2.gz OCQFACHZLMJXSJ-CLWVCHIJSA-N 2 0 258.365 1.138 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccccc1-n1cccn1 ZINC000234732641 277563809 /nfs/dbraw/zinc/56/38/09/277563809.db2.gz KTXCDPZUZJTMMF-OAHLLOKOSA-N 2 0 288.395 1.716 10 0 CDAERP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCCC[NH3+])CC1 ZINC000437779661 277686193 /nfs/dbraw/zinc/68/61/93/277686193.db2.gz BVSFMMAGTHASGW-UKRRQHHQSA-N 2 0 253.434 1.968 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCC[N@@H+]1CCCC[C@@H]1C ZINC000422870397 278228927 /nfs/dbraw/zinc/22/89/27/278228927.db2.gz YSFYSTLYCFOEEJ-ZQDZILKHSA-N 2 0 269.433 1.203 10 0 CDAERP C[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1C[C@H]1C ZINC000423394979 278263385 /nfs/dbraw/zinc/26/33/85/278263385.db2.gz QQFXMAOCYQVFLB-RHYQMDGZSA-N 2 0 279.350 1.457 10 0 CDAERP C[C@@H](CNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)[N@H+](C)C1CC1 ZINC000417553796 278274298 /nfs/dbraw/zinc/27/42/98/278274298.db2.gz VHSMLFNIXXDPGX-RWMBFGLXSA-N 2 0 280.416 1.005 10 0 CDAERP C[C@@H](C[NH2+][C@H]1CCCc2n[nH]cc21)CN1CC[NH+](C)CC1 ZINC000367599114 278286543 /nfs/dbraw/zinc/28/65/43/278286543.db2.gz XPHLZLVNTCUGDL-ZFWWWQNUSA-N 2 0 291.443 1.260 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000180205808 279353422 /nfs/dbraw/zinc/35/34/22/279353422.db2.gz TZDLFMPAVORRDL-NVXWUHKLSA-N 2 0 289.423 1.888 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000418195094 279376389 /nfs/dbraw/zinc/37/63/89/279376389.db2.gz FMHFCXNSEKRVDP-GOEBONIOSA-N 2 0 296.459 1.500 10 0 CDAERP C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@@H]1CCC[NH+](C)C1 ZINC000248953279 280397321 /nfs/dbraw/zinc/39/73/21/280397321.db2.gz FMOUIMZDFGSBHJ-MNOVXSKESA-N 2 0 268.323 1.573 10 0 CDAERP CC(C)n1cncc1C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000397544871 280706412 /nfs/dbraw/zinc/70/64/12/280706412.db2.gz DPTRHNSTMRFJJZ-UHFFFAOYSA-N 2 0 266.389 1.010 10 0 CDAERP Cc1cc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)ccn1 ZINC000527693655 281170532 /nfs/dbraw/zinc/17/05/32/281170532.db2.gz UPVZWTHTNHKVRO-CQSZACIVSA-N 2 0 276.428 1.506 10 0 CDAERP CC1(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CCC1 ZINC000422924465 281572580 /nfs/dbraw/zinc/57/25/80/281572580.db2.gz YLRFPLZYPQGFGN-MGPQQGTHSA-N 2 0 252.402 1.923 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000417932479 289102519 /nfs/dbraw/zinc/10/25/19/289102519.db2.gz MTSMHKCLPPNZGP-UBHUBRDASA-N 2 0 282.432 1.143 10 0 CDAERP CC(C)COC(=O)N1CCC([NH2+]C[C@@H]2CCCN2C)CC1 ZINC000152125410 289117715 /nfs/dbraw/zinc/11/77/15/289117715.db2.gz FEJCHDPQLHAPDC-HNNXBMFYSA-N 2 0 297.443 1.927 10 0 CDAERP COCC[N@@H+]1CCN(CC[NH+]2CCC(C)CC2)C[C@H]1C ZINC000153803598 289182403 /nfs/dbraw/zinc/18/24/03/289182403.db2.gz WGMWHWPUZQHFTJ-MRXNPFEDSA-N 2 0 283.460 1.371 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000262689610 289399492 /nfs/dbraw/zinc/39/94/92/289399492.db2.gz ZACSJSWXINVIFE-FZKCQIBNSA-N 2 0 295.471 1.988 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@]3(CCOC3)C2)[C@H]2CCC[C@@H]21 ZINC000353615595 290224664 /nfs/dbraw/zinc/22/46/64/290224664.db2.gz WZPKJBQYFINDTR-UHDSXZAQSA-N 2 0 294.439 1.787 10 0 CDAERP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCC1([NH3+])CCCCCC1 ZINC000561182775 293059485 /nfs/dbraw/zinc/05/94/85/293059485.db2.gz PPRSCXKCGOSNQW-NEPJUHHUSA-N 2 0 253.390 1.152 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CCC(C[NH+](C)C)CC2)C1 ZINC000561257209 293069899 /nfs/dbraw/zinc/06/98/99/293069899.db2.gz LRPFWRIBYDJPTF-ZDUSSCGKSA-N 2 0 267.417 1.128 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000561259461 293070273 /nfs/dbraw/zinc/07/02/73/293070273.db2.gz PNGSLENULKPOCP-CABCVRRESA-N 2 0 279.428 1.273 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000423016318 293097950 /nfs/dbraw/zinc/09/79/50/293097950.db2.gz SUZIYMARYCRDBE-YESZJQIVSA-N 2 0 291.439 1.775 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1COc2cc(OC)ccc2C1 ZINC000423020589 293098102 /nfs/dbraw/zinc/09/81/02/293098102.db2.gz CBZOJZRBINZFLA-UONOGXRCSA-N 2 0 294.395 1.342 10 0 CDAERP C[NH2+]C1CCN(C(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000563101121 293274898 /nfs/dbraw/zinc/27/48/98/293274898.db2.gz XGTCSIFJDQRJMT-QWHCGFSZSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@H]1CC[NH2+][C@@H](C(=O)N2CC3CCC2(C[NH3+])CC3)C1 ZINC000568876962 294116595 /nfs/dbraw/zinc/11/65/95/294116595.db2.gz YLKXMHYTQSREGN-OYNVLQORSA-N 2 0 265.401 1.104 10 0 CDAERP O=C([C@@H]1C[NH2+]Cc2ccccc21)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000568878199 294117236 /nfs/dbraw/zinc/11/72/36/294117236.db2.gz OZPDGZOGZBGFNV-IJEWVQPXSA-N 2 0 285.391 1.226 10 0 CDAERP CC(C)[NH2+]CCCNC(=O)c1ccccc1CC[NH3+] ZINC000570733612 294298454 /nfs/dbraw/zinc/29/84/54/294298454.db2.gz RTZFPVPZXDIGIA-UHFFFAOYSA-N 2 0 263.385 1.306 10 0 CDAERP CCC[N@@H+]1CC[C@H](CN[C@@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000570832410 294319250 /nfs/dbraw/zinc/31/92/50/294319250.db2.gz RTVIZOBSTYWLBL-RRFJBIMHSA-N 2 0 253.434 1.696 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH2+]C(C)C)[C@@H](C)C1 ZINC000571169744 294382343 /nfs/dbraw/zinc/38/23/43/294382343.db2.gz ZCGLABYWYQHUAW-UONOGXRCSA-N 2 0 269.433 1.563 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)C[C@@H](C)[NH3+])[C@@H](C)C1 ZINC000574689828 295039048 /nfs/dbraw/zinc/03/90/48/295039048.db2.gz VQOSKEDKRWUMAT-DGAVXFQQSA-N 2 0 284.448 1.484 10 0 CDAERP [NH3+]C[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000262017789 295263602 /nfs/dbraw/zinc/26/36/02/295263602.db2.gz YDGYKSLDLYLGLA-MCIONIFRSA-N 2 0 267.417 1.385 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000361724709 295306904 /nfs/dbraw/zinc/30/69/04/295306904.db2.gz AFBMMFSBVNOJBB-SOUVJXGZSA-N 2 0 279.428 1.591 10 0 CDAERP CC(C)[C@H](C(=O)NC/C=C\C[NH2+]CC1CC1)[NH+](C)C ZINC001669027550 1173496180 /nfs/dbraw/zinc/49/61/80/1173496180.db2.gz TZJSOHCIACBZBF-GEXIGZQTSA-N 2 0 267.417 1.245 10 0 CDAERP CC(C)OCCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001669292301 1173532001 /nfs/dbraw/zinc/53/20/01/1173532001.db2.gz BPHFVWSHVZBEPG-RBSFLKMASA-N 2 0 299.459 1.236 10 0 CDAERP C[C@H](C[NH2+]Cc1ccsc1)NC(=O)CC[NH+](C)C ZINC001669388380 1173543565 /nfs/dbraw/zinc/54/35/65/1173543565.db2.gz MCWNJQQTYUTQPR-LLVKDONJSA-N 2 0 269.414 1.294 10 0 CDAERP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]CCC[NH3+] ZINC000423183860 302183598 /nfs/dbraw/zinc/18/35/98/302183598.db2.gz IBVFDKAVSVLYOC-INIZCTEOSA-N 2 0 277.412 1.307 10 0 CDAERP Cc1nn(C)c(C)c1C[C@H](C)[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000415101591 302744200 /nfs/dbraw/zinc/74/42/00/302744200.db2.gz IWODHUXMKYORRM-HUBLWGQQSA-N 2 0 278.444 1.946 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1CC(=O)NCC[NH+]1CCCC1 ZINC000055131630 303452785 /nfs/dbraw/zinc/45/27/85/303452785.db2.gz XYKXEDNWBFBHQP-QWHCGFSZSA-N 2 0 253.390 1.106 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001669644633 1173581074 /nfs/dbraw/zinc/58/10/74/1173581074.db2.gz DXIAQWTYVVNHES-XUXIUFHCSA-N 2 0 287.423 1.559 10 0 CDAERP C[C@@H](C[NH2+]CCF)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001669710708 1173588851 /nfs/dbraw/zinc/58/88/51/1173588851.db2.gz HVGQKDFVGXRBPZ-LBPRGKRZSA-N 2 0 285.407 1.172 10 0 CDAERP CCCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001669812500 1173612945 /nfs/dbraw/zinc/61/29/45/1173612945.db2.gz ZZIJEIKNENJZLX-RBSFLKMASA-N 2 0 283.460 1.953 10 0 CDAERP CN(CCC[NH2+]Cc1nccs1)C(=O)CC[NH+](C)C ZINC001670233561 1173665194 /nfs/dbraw/zinc/66/51/94/1173665194.db2.gz XCDCPHTYTBQFMO-UHFFFAOYSA-N 2 0 284.429 1.033 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)C1 ZINC000563727850 316363600 /nfs/dbraw/zinc/36/36/00/316363600.db2.gz ZRBOSBSRVJFQPC-ZBFHGGJFSA-N 2 0 293.455 1.519 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000563809804 316374610 /nfs/dbraw/zinc/37/46/10/316374610.db2.gz AGOZGZVHEVIACS-KGLIPLIRSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCc2cncn2C1 ZINC000576403059 317132641 /nfs/dbraw/zinc/13/26/41/317132641.db2.gz PLQLJVNFCHYRLQ-KGLIPLIRSA-N 2 0 290.411 1.436 10 0 CDAERP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N(C)CCC[NH+](C)C ZINC000185605633 323392755 /nfs/dbraw/zinc/39/27/55/323392755.db2.gz NTMWCEKJHUFSMG-LSDHHAIUSA-N 2 0 298.475 1.700 10 0 CDAERP CC(C)C[C@@H]([NH3+])CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000382617412 323650509 /nfs/dbraw/zinc/65/05/09/323650509.db2.gz WCFLQVQFQOAGFC-HUUCEWRRSA-N 2 0 253.434 1.920 10 0 CDAERP NC(=O)c1c[nH+]ccc1N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000398967490 323880797 /nfs/dbraw/zinc/88/07/97/323880797.db2.gz SEXPFFLFBGDMMS-ZDUSSCGKSA-N 2 0 274.368 1.149 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000579267013 324146246 /nfs/dbraw/zinc/14/62/46/324146246.db2.gz XMOMQFDJVWWOLQ-KGLIPLIRSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000579267011 324146605 /nfs/dbraw/zinc/14/66/05/324146605.db2.gz XMOMQFDJVWWOLQ-KBPBESRZSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1CC[NH2+][C@@H]1C)CC2 ZINC000579829714 324292853 /nfs/dbraw/zinc/29/28/53/324292853.db2.gz YXKTYOXETUVVKS-APIJFGDWSA-N 2 0 279.428 1.458 10 0 CDAERP CC(C)[NH2+]CCC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000579829435 324292988 /nfs/dbraw/zinc/29/29/88/324292988.db2.gz JNEAMTJHFTYCLZ-OLZOCXBDSA-N 2 0 255.406 1.316 10 0 CDAERP CN(C)C(=O)CCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000582463169 324979235 /nfs/dbraw/zinc/97/92/35/324979235.db2.gz ARETZNIPOKZKKB-UHFFFAOYSA-N 2 0 281.444 1.663 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000583811411 325244954 /nfs/dbraw/zinc/24/49/54/325244954.db2.gz ZMKAJHKSQWOFHZ-RRFJBIMHSA-N 2 0 281.444 1.885 10 0 CDAERP C[C@@H]1CCCC[C@H]1CC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000584168161 327055267 /nfs/dbraw/zinc/05/52/67/327055267.db2.gz UXDYONWVLSZHHU-IXDOHACOSA-N 2 0 297.487 1.401 10 0 CDAERP C[C@@H](NCCC[NH+]1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000584285539 327218025 /nfs/dbraw/zinc/21/80/25/327218025.db2.gz CSYMIGAFAQBMQQ-CABCVRRESA-N 2 0 253.434 1.840 10 0 CDAERP C[C@H](CNC(=O)CC1([NH3+])CC1)C[NH+]1CCCCC1 ZINC000398086728 482243412 /nfs/dbraw/zinc/24/34/12/482243412.db2.gz MMLWVGXJANXERA-GFCCVEGCSA-N 2 0 253.390 1.106 10 0 CDAERP C[NH2+][C@H](C)C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000398126929 482245551 /nfs/dbraw/zinc/24/55/51/482245551.db2.gz IGUCYVAUJQYXID-GUTXKFCHSA-N 2 0 275.396 1.374 10 0 CDAERP COC[C@H](C)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668785782 482313595 /nfs/dbraw/zinc/31/35/95/482313595.db2.gz XGODRHGBKVSYNC-KGLIPLIRSA-N 2 0 258.406 1.312 10 0 CDAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CCC1(C)C ZINC000668302493 482362933 /nfs/dbraw/zinc/36/29/33/482362933.db2.gz IQGMEXDWADNYDD-ZDUSSCGKSA-N 2 0 269.433 1.374 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N1CCC[C@@H]1C[NH2+]C ZINC000652291763 482459057 /nfs/dbraw/zinc/45/90/57/482459057.db2.gz GVPCLLCYLKJGTI-OAHLLOKOSA-N 2 0 290.411 1.299 10 0 CDAERP [NH3+]C/C=C/CNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000669513439 482530556 /nfs/dbraw/zinc/53/05/56/482530556.db2.gz OHMJERQYJNFTMX-SNAWJCMRSA-N 2 0 294.443 1.598 10 0 CDAERP CCCN(CC[NH+](CC)CC)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000680878231 482603000 /nfs/dbraw/zinc/60/30/00/482603000.db2.gz ZGVXPEAHRYCBRN-OAHLLOKOSA-N 2 0 298.475 1.844 10 0 CDAERP COC1CCN(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000671750256 482615965 /nfs/dbraw/zinc/61/59/65/482615965.db2.gz RZVWRYMEZUGLAQ-ZACQAIPSSA-N 2 0 295.471 1.560 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)C1 ZINC000659612374 482649613 /nfs/dbraw/zinc/64/96/13/482649613.db2.gz WHKDXAUXOXGGTJ-JSGCOSHPSA-N 2 0 280.416 1.007 10 0 CDAERP CO[C@@H]1CCC[C@@H]([NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000684376201 482781073 /nfs/dbraw/zinc/78/10/73/482781073.db2.gz GHXBSLIXGIJBHP-RBSFLKMASA-N 2 0 297.443 1.121 10 0 CDAERP [NH3+]C/C=C\CNC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000669578459 482794675 /nfs/dbraw/zinc/79/46/75/482794675.db2.gz JYZLWYOCMURKMS-FOSCPCJNSA-N 2 0 294.443 1.598 10 0 CDAERP C[C@@H](C[NH+](C)C)Nc1nccnc1N[C@@H](C)C[NH+](C)C ZINC000672344929 482816137 /nfs/dbraw/zinc/81/61/37/482816137.db2.gz ULPJZLVMPMCIMW-RYUDHWBXSA-N 2 0 280.420 1.201 10 0 CDAERP CC(C)C[C@@H]([NH3+])CN(CCO)CCc1ccccc1 ZINC000666640992 482834544 /nfs/dbraw/zinc/83/45/44/482834544.db2.gz VQNZSMSNCJTPFG-MRXNPFEDSA-N 2 0 264.413 1.897 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000389586311 482837427 /nfs/dbraw/zinc/83/74/27/482837427.db2.gz NBMATNPZWPKGNK-OLZOCXBDSA-N 2 0 253.390 1.119 10 0 CDAERP C[C@H](CNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[NH+](C)C ZINC000673862744 482859844 /nfs/dbraw/zinc/85/98/44/482859844.db2.gz GDNMPJVRRIGVTD-LLVKDONJSA-N 2 0 288.355 1.339 10 0 CDAERP Cc1ccncc1C[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000684535769 482870513 /nfs/dbraw/zinc/87/05/13/482870513.db2.gz UAQAXYAVTKZQPL-UHFFFAOYSA-N 2 0 276.428 1.507 10 0 CDAERP C[C@@H](CC[NH+](C)C)NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000669420837 483024985 /nfs/dbraw/zinc/02/49/85/483024985.db2.gz NWAPMASWSGJNME-ZFWWWQNUSA-N 2 0 282.432 1.112 10 0 CDAERP Fc1cccn2cc(C[NH2+][C@@H]3CC34CC[NH2+]CC4)nc12 ZINC000666952355 483215883 /nfs/dbraw/zinc/21/58/83/483215883.db2.gz SOCJCMNGEABHEW-CYBMUJFWSA-N 2 0 274.343 1.705 10 0 CDAERP CC(C)n1ncnc1C[NH2+]CCC1CC[NH+](C)CC1 ZINC000229940051 483244953 /nfs/dbraw/zinc/24/49/53/483244953.db2.gz FDJUFTSVJKFYEQ-UHFFFAOYSA-N 2 0 265.405 1.681 10 0 CDAERP CC(C)C[C@@H](CNC(=O)[C@@]1(C)CCCC[NH2+]1)[NH+](C)C ZINC000136197978 483381126 /nfs/dbraw/zinc/38/11/26/483381126.db2.gz AZIMAIZMGMBJSL-DZGCQCFKSA-N 2 0 269.433 1.611 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@@]2(C)CCCC[NH2+]2)CC1 ZINC000136205047 483381260 /nfs/dbraw/zinc/38/12/60/483381260.db2.gz SCCGCLNEPOYTMD-OAHLLOKOSA-N 2 0 267.417 1.367 10 0 CDAERP C[NH+]1CCC(C)(CNC(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000679597477 483394091 /nfs/dbraw/zinc/39/40/91/483394091.db2.gz VWSGGPGBMXWYDE-CYBMUJFWSA-N 2 0 282.432 1.112 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000680497545 483638530 /nfs/dbraw/zinc/63/85/30/483638530.db2.gz JDPGAINJWMZJGD-KBPBESRZSA-N 2 0 282.432 1.206 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)CC[NH2+]Cc1cccc(F)c1 ZINC001691542446 1160662806 /nfs/dbraw/zinc/66/28/06/1160662806.db2.gz ITGQUZJBSIPJIT-UHFFFAOYSA-N 2 0 295.402 1.716 10 0 CDAERP CCCC[NH+]1CC([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001700548877 1160696889 /nfs/dbraw/zinc/69/68/89/1160696889.db2.gz CUOFRYVAVHJWFN-ZDUSSCGKSA-N 2 0 267.417 1.319 10 0 CDAERP CC[NH2+]CCC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000061296713 519915604 /nfs/dbraw/zinc/91/56/04/519915604.db2.gz YLSAYCGURYPOOK-UHFFFAOYSA-N 2 0 267.417 1.463 10 0 CDAERP CC[NH2+]Cc1cn(CC[N@H+](C)[C@@H](C)C(C)(C)C)nn1 ZINC000052504442 520014180 /nfs/dbraw/zinc/01/41/80/520014180.db2.gz AYNQPVVGSOCLNR-LBPRGKRZSA-N 2 0 267.421 1.754 10 0 CDAERP CCC[NH2+][C@H](CCC)CN1CCN(CC[NH+](C)C)CC1 ZINC000061643792 520068695 /nfs/dbraw/zinc/06/86/95/520068695.db2.gz JNKRREZKEAKDAP-MRXNPFEDSA-N 2 0 284.492 1.334 10 0 CDAERP CC[NH+](CC)CCn1cc(C[NH2+]CC(C)C)nn1 ZINC000052378265 520713267 /nfs/dbraw/zinc/71/32/67/520713267.db2.gz PXGDDQAXBMZBMU-UHFFFAOYSA-N 2 0 253.394 1.366 10 0 CDAERP CCCN(CC[NH+](C)C)c1nnc(C)c(C)c1C[NH3+] ZINC000045661380 521658908 /nfs/dbraw/zinc/65/89/08/521658908.db2.gz KYXLLSMPFIKWDU-UHFFFAOYSA-N 2 0 265.405 1.330 10 0 CDAERP CCCCC[N@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001714561734 1179216694 /nfs/dbraw/zinc/21/66/94/1179216694.db2.gz WAAOWOVYAGYHTA-CQSZACIVSA-N 2 0 269.433 1.566 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCC2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000335815165 1161580090 /nfs/dbraw/zinc/58/00/90/1161580090.db2.gz QONDVTCNUFJSJO-JSGCOSHPSA-N 2 0 267.417 1.175 10 0 CDAERP COCC[C@H]([NH3+])C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000052809149 521942100 /nfs/dbraw/zinc/94/21/00/521942100.db2.gz VZTGWZDJRDHFQT-AWEZNQCLSA-N 2 0 285.432 1.121 10 0 CDAERP COCC[C@H]([NH3+])CN1CCC([NH+]2CCCCC2)CC1 ZINC000052810787 521950973 /nfs/dbraw/zinc/95/09/73/521950973.db2.gz OQCZSRUYSJBGGE-AWEZNQCLSA-N 2 0 269.433 1.301 10 0 CDAERP C[NH2+]Cc1c(C)nn(C)c1N1CC[NH+](CC(C)C)CC1 ZINC000055080289 522100174 /nfs/dbraw/zinc/10/01/74/522100174.db2.gz DTBPLYKFVLWRJH-UHFFFAOYSA-N 2 0 279.432 1.226 10 0 CDAERP CC(C)(C)[NH+]1CCN(CC[NH2+]C2CCOCC2)CC1 ZINC000062767858 518711356 /nfs/dbraw/zinc/71/13/56/518711356.db2.gz LLFMCFFKYJALJY-UHFFFAOYSA-N 2 0 269.433 1.171 10 0 CDAERP CC(C)(C)[NH+]1CCN(CCCC[NH2+]C2CC2)CC1 ZINC000052571565 518711745 /nfs/dbraw/zinc/71/17/45/518711745.db2.gz IURLHDQPLRHKSA-UHFFFAOYSA-N 2 0 253.434 1.935 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000246507453 519677568 /nfs/dbraw/zinc/67/75/68/519677568.db2.gz QFOUPKPPUXATRA-QLFBSQMISA-N 2 0 281.444 1.741 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000055134785 519715503 /nfs/dbraw/zinc/71/55/03/519715503.db2.gz ZIRUGYZSOBCQKH-HUUCEWRRSA-N 2 0 283.460 1.940 10 0 CDAERP CC(C)[NH2+]CC[C@@H](C)N1CC[NH+](CC2CC2)CC1 ZINC000052372541 519722227 /nfs/dbraw/zinc/72/22/27/519722227.db2.gz ZFJCTBVWZOROJN-CQSZACIVSA-N 2 0 253.434 1.791 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)C[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000055132149 519723722 /nfs/dbraw/zinc/72/37/22/519723722.db2.gz IVLLIEWEEDXXKA-GJZGRUSLSA-N 2 0 281.444 1.694 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CC[C@@H](C[N@@H+]2CCC[C@@H]2CN(C)C)O1 ZINC000061654515 519723918 /nfs/dbraw/zinc/72/39/18/519723918.db2.gz RVXVUKWXFRUPTC-PMPSAXMXSA-N 2 0 283.460 1.558 10 0 CDAERP CC(C)[NH2+]C[C@H]1CCN([C@@H]2C[NH+]3CCC2CC3)C1 ZINC000053012392 519725097 /nfs/dbraw/zinc/72/50/97/519725097.db2.gz KUHROAWTXRXNBH-UKRRQHHQSA-N 2 0 251.418 1.401 10 0 CDAERP CC(C)[C@@H](C[NH2+]C1CC1)N1CCC[C@@H]1C[NH+](C)C ZINC000061654672 519794879 /nfs/dbraw/zinc/79/48/79/519794879.db2.gz WOKYGIPDIVYBTP-HUUCEWRRSA-N 2 0 253.434 1.789 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)N(CC[NH+](C)C)Cc1ccc(C)o1 ZINC000061296586 519903956 /nfs/dbraw/zinc/90/39/56/519903956.db2.gz MIXZITUNGICQGR-UHFFFAOYSA-N 2 0 295.427 1.866 10 0 CDAERP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CC[NH+](C)C ZINC000054601581 519907382 /nfs/dbraw/zinc/90/73/82/519907382.db2.gz LZRUQQJQILUNLZ-GOOCMWNKSA-N 2 0 253.434 1.933 10 0 CDAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1COCCO1 ZINC000054628661 519908668 /nfs/dbraw/zinc/90/86/68/519908668.db2.gz AYCPVTCTIZCLKM-JALIKCBVSA-N 2 0 268.401 1.397 10 0 CDAERP CCC[NH2+]CCNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000236785855 519915511 /nfs/dbraw/zinc/91/55/11/519915511.db2.gz BUWUIOSACKATPE-OLZOCXBDSA-N 2 0 255.406 1.400 10 0 CDAERP CCC[NH2+]C[C@@H]1CCN(C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000053012347 519922482 /nfs/dbraw/zinc/92/24/82/519922482.db2.gz IRQRRHCUWPKBBA-GJZGRUSLSA-N 2 0 253.434 1.792 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@H](C[NH+]2CCC(C[NH+](C)C)CC2)O1 ZINC000052515447 519938404 /nfs/dbraw/zinc/93/84/04/519938404.db2.gz CWRVSJWFMRALEE-IAGOWNOFSA-N 3 0 297.487 1.807 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@H+](CC)C[C@@H]2CCCO2)O1 ZINC000052511043 519977519 /nfs/dbraw/zinc/97/75/19/519977519.db2.gz RRPFLADLOKBDEK-ILXRZTDVSA-N 2 0 270.417 1.644 10 0 CDAERP CC[NH2+]C[C@](C)(CN1CC[NH+](C)CC1)c1ccccc1 ZINC000051209202 519982986 /nfs/dbraw/zinc/98/29/86/519982986.db2.gz GHMLKXCRTHQTJY-QGZVFWFLSA-N 2 0 275.440 1.801 10 0 CDAERP CC[NH2+]Cc1ccccc1C[NH+](CCOC)CCOC ZINC000052571511 520006356 /nfs/dbraw/zinc/00/63/56/520006356.db2.gz OHKANCTWUDMKHD-UHFFFAOYSA-N 2 0 280.412 1.891 10 0 CDAERP CC[NH2+]Cc1coc(CN2CCC[C@H]2C[NH+](C)C)c1 ZINC000061654620 520018357 /nfs/dbraw/zinc/01/83/57/520018357.db2.gz JQVLENBWPJWPLZ-AWEZNQCLSA-N 2 0 265.401 1.915 10 0 CDAERP CCC[NH2+][C@@H]1CCN(C2CC[NH+](CCC)CC2)C1 ZINC000049557860 520023047 /nfs/dbraw/zinc/02/30/47/520023047.db2.gz DWCQHUZZCPDBTA-CQSZACIVSA-N 2 0 253.434 1.935 10 0 CDAERP CCC[NH2+][C@@](C)(CCN1CC[NH+]([C@@H](C)CC)CC1)C(N)=O ZINC000055070582 520037327 /nfs/dbraw/zinc/03/73/27/520037327.db2.gz OKZPEYSCMDPKLC-HOCLYGCPSA-N 2 0 298.475 1.036 10 0 CDAERP CC[NH2+][C@H]1CCCC[C@H]1CN1CCN(CC[NH+](C)C)CC1 ZINC000061653819 520213679 /nfs/dbraw/zinc/21/36/79/520213679.db2.gz PMSKRKNGMNDHDO-IRXDYDNUSA-N 2 0 296.503 1.334 10 0 CDAERP CCN(CC)C(=O)C[N@H+](C)CCC[C@@H]1CCC[NH2+]1 ZINC000052764468 520472413 /nfs/dbraw/zinc/47/24/13/520472413.db2.gz YCAMHMCCWJTYRV-ZDUSSCGKSA-N 2 0 255.406 1.319 10 0 CDAERP CCO[C@H](C[NH3+])CC[N@H+](CC)Cc1ccncc1 ZINC000062741066 520516363 /nfs/dbraw/zinc/51/63/63/520516363.db2.gz PJTKIHKCRSDDFM-AWEZNQCLSA-N 2 0 251.374 1.657 10 0 CDAERP CCN(CC)CC[NH2+]CCN1CC[NH+](CC(C)C)CC1 ZINC000055075797 520687434 /nfs/dbraw/zinc/68/74/34/520687434.db2.gz WJHNWRSDNWEKRN-UHFFFAOYSA-N 2 0 284.492 1.191 10 0 CDAERP CCC[C@@H]([NH3+])[C@@H](CC)N1CCN(CC[NH+](C)C)CC1 ZINC000061643865 520726746 /nfs/dbraw/zinc/72/67/46/520726746.db2.gz UMNOMJGVPJKEMT-HUUCEWRRSA-N 2 0 270.465 1.072 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000156285494 520853648 /nfs/dbraw/zinc/85/36/48/520853648.db2.gz QJDKFQZUQPYLAW-HUUCEWRRSA-N 2 0 298.475 1.698 10 0 CDAERP CC[NH+](CC)[C@H]1CCN([C@@H](C[NH3+])C2CCOCC2)C1 ZINC000062978240 520874005 /nfs/dbraw/zinc/87/40/05/520874005.db2.gz GUGMNHYKQMPHRJ-GJZGRUSLSA-N 2 0 269.433 1.156 10 0 CDAERP CCC[NH+](CCC)CCn1cc(C[NH2+]CC)nn1 ZINC000052416789 521647704 /nfs/dbraw/zinc/64/77/04/521647704.db2.gz GHUHAESNVAFUNR-UHFFFAOYSA-N 2 0 253.394 1.510 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000055090254 521655629 /nfs/dbraw/zinc/65/56/29/521655629.db2.gz SBRYVDSFLRNOTA-STQMWFEESA-N 2 0 255.406 1.304 10 0 CDAERP CCCN(CC[NH2+]CCCOC(C)C)CC[NH+](C)C ZINC000053436168 521661061 /nfs/dbraw/zinc/66/10/61/521661061.db2.gz JPEWKLBKPBCVQA-UHFFFAOYSA-N 2 0 273.465 1.665 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1CC(=O)Nc1ccccc1C[NH3+] ZINC000061642620 521865236 /nfs/dbraw/zinc/86/52/36/521865236.db2.gz MUVLAFCBTFFNTH-CQSZACIVSA-N 2 0 290.411 1.110 10 0 CDAERP C[NH2+]Cc1cc(CN2CCC[C@H]2C[NH+](C)C)oc1C ZINC000061654476 522107252 /nfs/dbraw/zinc/10/72/52/522107252.db2.gz RYLMEBXYRAVKCP-AWEZNQCLSA-N 2 0 265.401 1.833 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000055077868 522111814 /nfs/dbraw/zinc/11/18/14/522111814.db2.gz ADVBHAVSZNKZDJ-UGUYLWEFSA-N 2 0 293.455 1.850 10 0 CDAERP C[NH2+]Cc1coc(CN2CCC[C@H]2C[NH+](C)C)c1 ZINC000061654618 522149825 /nfs/dbraw/zinc/14/98/25/522149825.db2.gz LZHYAOBZXNMAEU-ZDUSSCGKSA-N 2 0 251.374 1.525 10 0 CDAERP COc1cc(C)nc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000262067399 522289668 /nfs/dbraw/zinc/28/96/68/522289668.db2.gz RTEVRCVWULTNIT-UHFFFAOYSA-N 2 0 275.396 1.974 10 0 CDAERP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[NH+]([C@H](C)CC)CC1 ZINC000055077719 522366353 /nfs/dbraw/zinc/36/63/53/522366353.db2.gz XXZZGAUARDMGFD-UPJWGTAASA-N 2 0 255.406 1.303 10 0 CDAERP CC[C@@H]([NH3+])[C@@H](c1cccnc1)N1CCC[C@@H]1C[NH+](C)C ZINC000061642236 522648493 /nfs/dbraw/zinc/64/84/93/522648493.db2.gz AIHBDOGBJXBDMO-BZUAXINKSA-N 2 0 276.428 1.886 10 0 CDAERP COCC[N@H+](C)CC1(C[NH2+]CC(C)C)CCOCC1 ZINC000052197730 523578458 /nfs/dbraw/zinc/57/84/58/523578458.db2.gz JSZVFBHDISAXCC-UHFFFAOYSA-N 2 0 272.433 1.607 10 0 CDAERP C[N@@H+]1CCCN([C@@H](CC(N)=[NH2+])c2ccccc2)CC1 ZINC000055022606 523810919 /nfs/dbraw/zinc/81/09/19/523810919.db2.gz QRQPDKRHOZWXBV-AWEZNQCLSA-N 2 0 260.385 1.691 10 0 CDAERP COc1ccc(C)cc1[C@@H](O)C[NH2+][C@@H](C)CC[NH+](C)C ZINC000049557340 523855380 /nfs/dbraw/zinc/85/53/80/523855380.db2.gz UCVVSZQVWNBDNF-ZFWWWQNUSA-N 2 0 280.412 1.967 10 0 CDAERP COCC[NH2+]Cc1ccccc1N1CC[NH+](C2CC2)CC1 ZINC000062737194 523955342 /nfs/dbraw/zinc/95/53/42/523955342.db2.gz MGHSWWPORCPJER-UHFFFAOYSA-N 2 0 289.423 1.707 10 0 CDAERP CC[C@H](C)[NH+]1CCN([C@@H](C)C[NH2+]CCOC)CC1 ZINC000055075182 523958360 /nfs/dbraw/zinc/95/83/60/523958360.db2.gz YGXACCFWLSYAOE-KBPBESRZSA-N 2 0 257.422 1.027 10 0 CDAERP CC[C@H](C)[NH+]1CCN([C@@H](C[NH3+])CCSC)CC1 ZINC000055064339 523958419 /nfs/dbraw/zinc/95/84/19/523958419.db2.gz ARZVQGZDJSPEIH-QWHCGFSZSA-N 2 0 259.463 1.483 10 0 CDAERP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1CCC[C@@H](C[NH3+])C1 ZINC000055163274 524033213 /nfs/dbraw/zinc/03/32/13/524033213.db2.gz JPMGDMRAVYCLGI-VXGBXAGGSA-N 2 0 255.406 1.208 10 0 CDAERP C[NH+](C)CC1CCN(C(=O)[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000055088860 524049183 /nfs/dbraw/zinc/04/91/83/524049183.db2.gz ZQBCBHGGPZTXSV-KBPBESRZSA-N 2 0 267.417 1.304 10 0 CDAERP CNC(=O)C1CC[NH+]([C@H](CC[NH3+])c2ccccc2)CC1 ZINC000055015971 524049784 /nfs/dbraw/zinc/04/97/84/524049784.db2.gz OYXZZWDRNSKHMZ-OAHLLOKOSA-N 2 0 275.396 1.535 10 0 CDAERP C[NH+](C)CC1CC[NH+](Cc2ccnc(C(N)=[NH2+])c2)CC1 ZINC000068761509 524049894 /nfs/dbraw/zinc/04/98/94/524049894.db2.gz UISVWYSDSTUYMZ-UHFFFAOYSA-N 3 0 275.400 1.139 10 0 CDAERP C[NH+](C)CCCC[NH2+]C[C@@H](O)COC1CCCC1 ZINC000045697369 524052937 /nfs/dbraw/zinc/05/29/37/524052937.db2.gz GGSRICDKDDVSIM-CYBMUJFWSA-N 2 0 258.406 1.238 10 0 CDAERP C[NH+](C)CCCNC(=O)[C@H]1CCC[C@H](CC[NH3+])C1 ZINC000055145851 524056472 /nfs/dbraw/zinc/05/64/72/524056472.db2.gz DUJWVCGLAMEUOA-OLZOCXBDSA-N 2 0 255.406 1.210 10 0 CDAERP C[C@@H](CCC[NH2+]C1CC1)[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061654640 524458618 /nfs/dbraw/zinc/45/86/18/524458618.db2.gz JHANYOQARGYXDR-DZGCQCFKSA-N 2 0 253.434 1.933 10 0 CDAERP C[C@H](CNC(=O)c1ccc(C[NH3+])cc1)C[NH+]1CCCC1 ZINC000059930606 524461757 /nfs/dbraw/zinc/46/17/57/524461757.db2.gz BCHXJTJEURVEFY-CYBMUJFWSA-N 2 0 275.396 1.607 10 0 CDAERP C[C@@H](C[NH+]1CCCC1)NC(=O)C[NH2+]C1CCCC1 ZINC000049184806 524589304 /nfs/dbraw/zinc/58/93/04/524589304.db2.gz FYVPAIXKWJRYMH-LBPRGKRZSA-N 2 0 253.390 1.119 10 0 CDAERP C[C@@H](CNC(=O)c1ccc(C[NH3+])cc1)C[NH+]1CCCC1 ZINC000059930602 524717755 /nfs/dbraw/zinc/71/77/55/524717755.db2.gz BCHXJTJEURVEFY-ZDUSSCGKSA-N 2 0 275.396 1.607 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCC[N@H+](C)C2CCCC2)CC[NH2+]1 ZINC000235689602 524769547 /nfs/dbraw/zinc/76/95/47/524769547.db2.gz OZSKJUNEDFFQNE-STQMWFEESA-N 2 0 267.417 1.365 10 0 CDAERP C[C@H]([NH3+])CCC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000226507120 524829945 /nfs/dbraw/zinc/82/99/45/524829945.db2.gz YICUNUFRMJUXJO-STQMWFEESA-N 2 0 255.406 1.495 10 0 CDAERP C[C@H]([NH3+])[C@H](c1ccccc1F)N1CC[C@H]([NH+](C)C)C1 ZINC000062964157 524854190 /nfs/dbraw/zinc/85/41/90/524854190.db2.gz BFVIFEFGPOVTRJ-SLEUVZQESA-N 2 0 265.376 1.850 10 0 CDAERP C[C@@H]([NH3+])[C@@H](c1ccccn1)N1CCC[C@@H]1C[NH+](C)C ZINC000061642095 525007285 /nfs/dbraw/zinc/00/72/85/525007285.db2.gz QYHQABJSQPTWGW-NFAWXSAZSA-N 2 0 262.401 1.496 10 0 CDAERP COc1ccc([C@H](O)C[NH2+][C@H](C)CC[NH+](C)C)cc1 ZINC000049557326 525377342 /nfs/dbraw/zinc/37/73/42/525377342.db2.gz WVLDKHJBNZYQND-IUODEOHRSA-N 2 0 266.385 1.658 10 0 CDAERP COc1cccc(N2CC[NH+]([C@@H](C)CCC[NH3+])CC2)c1 ZINC000052423697 526155218 /nfs/dbraw/zinc/15/52/18/526155218.db2.gz MZGRHYJVYRRBBB-AWEZNQCLSA-N 2 0 277.412 1.945 10 0 CDAERP C[C@H](C(=O)Nc1cccc(OCC[NH+](C)C)c1)C1C[NH2+]C1 ZINC000164033083 526159034 /nfs/dbraw/zinc/15/90/34/526159034.db2.gz CEMQIMRZZBQALZ-LBPRGKRZSA-N 2 0 291.395 1.421 10 0 CDAERP C[C@H]1CCCC[C@@H]1[N@H+](C)CCn1cc(C[NH3+])nn1 ZINC000052546778 526256147 /nfs/dbraw/zinc/25/61/47/526256147.db2.gz NSJRYYSKXYRIGQ-AAEUAGOBSA-N 2 0 251.378 1.247 10 0 CDAERP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000225233430 526373574 /nfs/dbraw/zinc/37/35/74/526373574.db2.gz SXRGVRKOBKSPRV-JALIKCBVSA-N 2 0 277.412 1.214 10 0 CDAERP NC(=[NH2+])c1ccc(N2CC[NH+](C3CC3)CC2)cc1Cl ZINC000061856676 526823328 /nfs/dbraw/zinc/82/33/28/526823328.db2.gz AKRAILGZDDGIDB-UHFFFAOYSA-N 2 0 278.787 1.908 10 0 CDAERP Cc1nc(N2CC[NH+](C(C)C)CC2)sc1C[NH3+] ZINC000054997425 526967822 /nfs/dbraw/zinc/96/78/22/526967822.db2.gz DRYWHKCNFNDCSS-UHFFFAOYSA-N 2 0 254.403 1.441 10 0 CDAERP Cn1cc(C[N@H+](CCC[NH3+])C2CCCCC2)cn1 ZINC000050539174 527195104 /nfs/dbraw/zinc/19/51/04/527195104.db2.gz XLXUHOSPTPWLKG-UHFFFAOYSA-N 2 0 250.390 1.904 10 0 CDAERP [NH3+]C[C@H]1CCCC[C@H]1N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062940152 527231512 /nfs/dbraw/zinc/23/15/12/527231512.db2.gz HBJOJZOZADUHNX-RBSFLKMASA-N 2 0 251.418 1.674 10 0 CDAERP [NH3+]C[C@H]1CCC[C@@H](C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000055163036 527235372 /nfs/dbraw/zinc/23/53/72/527235372.db2.gz MGDBDMXNZXGXJF-YJNKXOJESA-N 2 0 279.428 1.495 10 0 CDAERP [NH3+]Cc1ccc(N2CCC(C[NH+]3CCCC3)CC2)nc1 ZINC000062035963 527255111 /nfs/dbraw/zinc/25/51/11/527255111.db2.gz KJZYXLRHPGTSOX-UHFFFAOYSA-N 2 0 274.412 1.853 10 0 CDAERP [NH3+]Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@@H]2CCCO)cc1 ZINC000052758511 527258069 /nfs/dbraw/zinc/25/80/69/527258069.db2.gz ZJNWQBBLPBKXIK-CVEARBPZSA-N 2 0 278.396 1.416 10 0 CDAERP [NH3+]Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000061702265 527258126 /nfs/dbraw/zinc/25/81/26/527258126.db2.gz DPTCAKRADCJFKU-OAHLLOKOSA-N 2 0 284.363 1.589 10 0 CDAERP [NH3+]Cc1nc(CN2CC[NH+](CC3CC3)CC2)cs1 ZINC000052372469 527265605 /nfs/dbraw/zinc/26/56/05/527265605.db2.gz FFCWZLZNZMPFNQ-UHFFFAOYSA-N 2 0 266.414 1.129 10 0 CDAERP CC[NH+](CC)CCCNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105073939 535512318 /nfs/dbraw/zinc/51/23/18/535512318.db2.gz YCTCOKVXDWEQJO-HNNXBMFYSA-N 2 0 296.459 1.598 10 0 CDAERP CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000182920630 535652474 /nfs/dbraw/zinc/65/24/74/535652474.db2.gz CKWVNGLXGNHKNI-UKRRQHHQSA-N 2 0 283.460 1.940 10 0 CDAERP CCc1cccc(F)c1C[NH2+]CCCN1CC[NH2+]CC1 ZINC000414779642 535890436 /nfs/dbraw/zinc/89/04/36/535890436.db2.gz JUGAODYKIBJKOC-UHFFFAOYSA-N 2 0 279.403 1.773 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000422741823 536596790 /nfs/dbraw/zinc/59/67/90/536596790.db2.gz PDARSBQNGMIMBA-LSDHHAIUSA-N 3 0 271.449 1.450 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000234787768 536851007 /nfs/dbraw/zinc/85/10/07/536851007.db2.gz ZYPOBAQYCUABPC-KGLIPLIRSA-N 3 0 257.422 1.062 10 0 CDAERP C[C@H]1C[C@H](N(C)C(=S)NCCC[NH+](C)C)CC[N@@H+]1C ZINC000741487673 576561725 /nfs/dbraw/zinc/56/17/25/576561725.db2.gz KKWLXPHXNPCMHP-QWHCGFSZSA-N 2 0 286.489 1.227 10 0 CDAERP C[C@H]1C[C@H](N(C)C(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1C ZINC000763054841 576704942 /nfs/dbraw/zinc/70/49/42/576704942.db2.gz PAMCSCXOKYEKKU-QWHCGFSZSA-N 2 0 267.417 1.412 10 0 CDAERP COC(=O)/C(C)=C\C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000746503131 576780647 /nfs/dbraw/zinc/78/06/47/576780647.db2.gz VYPMKTRPNOQUHO-BNNQUZSASA-N 2 0 296.411 1.150 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]CCCO ZINC001689910140 1175302710 /nfs/dbraw/zinc/30/27/10/1175302710.db2.gz ZASZZSUAKPMUPH-LSDHHAIUSA-N 2 0 299.459 1.070 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCO[C@@H](C2CC2)C1 ZINC000926185498 617465506 /nfs/dbraw/zinc/46/55/06/617465506.db2.gz YGMJPSQEJOZIRV-KJAHXBPPSA-N 2 0 264.413 1.874 10 0 CDAERP C[NH+](C)C1CCN(CC[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925532937 617465546 /nfs/dbraw/zinc/46/55/46/617465546.db2.gz YXDKFWZQRVOPJP-GJZGRUSLSA-N 3 0 296.503 1.508 10 0 CDAERP C[NH+]1CCN(CCC[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)CC1 ZINC000924578185 617531722 /nfs/dbraw/zinc/53/17/22/617531722.db2.gz LUUXNWKMWMQWPF-IAGOWNOFSA-N 2 0 295.471 1.419 10 0 CDAERP CCNC(=O)C(C)(C)C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925605590 617548456 /nfs/dbraw/zinc/54/84/56/617548456.db2.gz FQXMSONZBRNKNE-NWDGAFQWSA-N 2 0 269.433 1.644 10 0 CDAERP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925608561 617553442 /nfs/dbraw/zinc/55/34/42/617553442.db2.gz FEEQHLPRYVIGQJ-HZPDHXFCSA-N 3 0 296.503 1.510 10 0 CDAERP OCC1(C[NH2+][C@H]2CC[NH2+]C23CCCC3)CCOCC1 ZINC000925615062 617560254 /nfs/dbraw/zinc/56/02/54/617560254.db2.gz DYYQMHCWBGZJMX-ZDUSSCGKSA-N 2 0 268.401 1.040 10 0 CDAERP C[C@H]([NH2+][C@H]1C[C@@H]2CC[C@@H]([NH2+]2)[C@@H]1C)C1CC[NH2+]CC1 ZINC000925726936 617968143 /nfs/dbraw/zinc/96/81/43/617968143.db2.gz ARPHPXBGJWZKDJ-RCZQDCHWSA-N 3 0 251.418 1.493 10 0 CDAERP CC1(C)C[C@@H]([NH2+]C[C@H]2CCCCN2CCO)C[C@@H]([NH3+])C1 ZINC000925681140 617655678 /nfs/dbraw/zinc/65/56/78/617655678.db2.gz SMMGETDFFCYKBD-QLFBSQMISA-N 2 0 283.460 1.329 10 0 CDAERP CC1(C)CO[C@H](CC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000925776581 617668672 /nfs/dbraw/zinc/66/86/72/617668672.db2.gz XVPFNYLGWKWVSL-QKPAOTATSA-N 2 0 296.455 1.938 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000925786796 617711630 /nfs/dbraw/zinc/71/16/30/617711630.db2.gz VCGNVMXJIMARBN-HTOAHKCRSA-N 2 0 252.402 1.635 10 0 CDAERP C[C@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000925833398 617858245 /nfs/dbraw/zinc/85/82/45/617858245.db2.gz HJSNMXUGHPEZET-TUAOUCFPSA-N 2 0 281.366 1.989 10 0 CDAERP FC(F)(F)[C@@H]1C[C@H]1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000925834619 617862465 /nfs/dbraw/zinc/86/24/65/617862465.db2.gz ZWNXAVLKCXVCNY-KIJLLGNVSA-N 2 0 292.345 1.932 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+]CC[C@@H](N(C)C)C(F)(F)F ZINC000925837774 617867845 /nfs/dbraw/zinc/86/78/45/617867845.db2.gz SNBCXMRGDDDIFS-LPEHRKFASA-N 2 0 255.328 1.584 10 0 CDAERP [NH3+][C@H]1C[C@H]([NH2+]CCN2CCc3ccccc32)C12CCC2 ZINC000925838088 617868524 /nfs/dbraw/zinc/86/85/24/617868524.db2.gz VNFLQQMJRYPULT-HOTGVXAUSA-N 2 0 271.408 1.909 10 0 CDAERP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925850923 617886944 /nfs/dbraw/zinc/88/69/44/617886944.db2.gz ABZHYWBWNCULSF-MCIONIFRSA-N 2 0 280.412 1.840 10 0 CDAERP CC(C)OCC[C@H](O)C[N@@H+]1CC[NH2+]CCC1(C)C ZINC000923416513 618326922 /nfs/dbraw/zinc/32/69/22/618326922.db2.gz YCDQATXLDZLPPS-ZDUSSCGKSA-N 2 0 258.406 1.236 10 0 CDAERP Cc1n[nH]c(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c1C ZINC000894782990 619058369 /nfs/dbraw/zinc/05/83/69/619058369.db2.gz OQFDIUVEWJAQLU-YGRLFVJLSA-N 2 0 250.390 1.799 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CC[NH+]1C(C)(C)C ZINC000895740257 619818855 /nfs/dbraw/zinc/81/88/55/619818855.db2.gz OYORUVTXFOJDTN-KBPBESRZSA-N 2 0 281.444 1.850 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@]1(C)CCCC[C@H]1O ZINC000925214275 620560708 /nfs/dbraw/zinc/56/07/08/620560708.db2.gz YVYORZFNMSLXLI-GOZOTGFRSA-N 2 0 266.429 1.857 10 0 CDAERP CC(C)[C@H]1COCC[C@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000924629677 621604609 /nfs/dbraw/zinc/60/46/09/621604609.db2.gz RNNKVBYSCALRQW-HZPDHXFCSA-N 2 0 297.487 1.663 10 0 CDAERP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000924634405 621615579 /nfs/dbraw/zinc/61/55/79/621615579.db2.gz WBBICERBPWGSMQ-IRXDYDNUSA-N 2 0 297.487 1.663 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)[C@@H]2CCC[C@H]21 ZINC000926942764 621622942 /nfs/dbraw/zinc/62/29/42/621622942.db2.gz GITDOUOQCIEDTG-GWNLFYIMSA-N 2 0 280.412 1.253 10 0 CDAERP CSC1(CNC(=[NH2+])N[C@H](C)C2CC2)CC[NH+](C)CC1 ZINC000899272209 622137435 /nfs/dbraw/zinc/13/74/35/622137435.db2.gz CPLVVDPVADBZLW-LLVKDONJSA-N 2 0 284.473 1.726 10 0 CDAERP C[C@]1([C@@H]2CCC[N@H+](CC3CC[NH2+]CC3)C2)COC(=O)N1 ZINC000903414513 625986096 /nfs/dbraw/zinc/98/60/96/625986096.db2.gz CWZKJUPWSVIIQZ-UKRRQHHQSA-N 2 0 281.400 1.197 10 0 CDAERP C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000903437825 625991618 /nfs/dbraw/zinc/99/16/18/625991618.db2.gz NAPQOYSDUUZNCN-VWYCJHECSA-N 2 0 293.333 1.209 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CC[NH+](CCc2cccs2)CC1 ZINC000903442482 625997137 /nfs/dbraw/zinc/99/71/37/625997137.db2.gz SFZXMHMYAPLAGZ-CABCVRRESA-N 2 0 293.480 1.764 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)C1 ZINC000903445251 625998478 /nfs/dbraw/zinc/99/84/78/625998478.db2.gz HSZPLJUHLQJISP-GBJTYRQASA-N 3 0 251.418 1.578 10 0 CDAERP Cn1cc(C[C@@H]2CC[N@H+](C[C@@H]3CC[C@H]([NH3+])C3)C2)cn1 ZINC000903445617 625999363 /nfs/dbraw/zinc/99/93/63/625999363.db2.gz MLJOAOQJSQYYFB-IPYPFGDCSA-N 2 0 262.401 1.412 10 0 CDAERP C[C@@H]1CN(CC[N@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000903454806 626001792 /nfs/dbraw/zinc/00/17/92/626001792.db2.gz KAAUEQLLGKEVEB-BARDWOONSA-N 2 0 269.433 1.155 10 0 CDAERP COc1ccc([C@H](C[NH3+])CN[C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000903470447 626003516 /nfs/dbraw/zinc/00/35/16/626003516.db2.gz BUIJPKVFOIEGTL-GDBMZVCRSA-N 2 0 289.423 1.612 10 0 CDAERP [NH3+]CCOCC[N@@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000903490645 626010548 /nfs/dbraw/zinc/01/05/48/626010548.db2.gz BPOQYDYKITXMSW-VIFPVBQESA-N 2 0 270.270 1.328 10 0 CDAERP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496823 626011929 /nfs/dbraw/zinc/01/19/29/626011929.db2.gz FYDKFVHXAWCSFL-FRRDWIJNSA-N 2 0 255.406 1.158 10 0 CDAERP CCCC[N@H+](CC)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903872028 626126731 /nfs/dbraw/zinc/12/67/31/626126731.db2.gz BCLTYBXYKFVITJ-ZDUSSCGKSA-N 2 0 265.405 1.825 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCCSCC2)cnn1C ZINC000903903884 626140268 /nfs/dbraw/zinc/14/02/68/626140268.db2.gz YDTCCGSDUUYXGN-ZDUSSCGKSA-N 2 0 282.457 1.285 10 0 CDAERP COC(=O)CC1([NH2+]Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000903931823 626151858 /nfs/dbraw/zinc/15/18/58/626151858.db2.gz IYWPOMBUWUAJBQ-UHFFFAOYSA-N 2 0 274.364 1.518 10 0 CDAERP Nc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903932344 626152185 /nfs/dbraw/zinc/15/21/85/626152185.db2.gz BHDFKOWKVQWLOW-ZYHUDNBSSA-N 2 0 255.312 1.828 10 0 CDAERP C[C@H]1CN(C[C@]2(C)CC[NH2+]C2)CCN1c1cc[nH+]cc1 ZINC000903937074 626155413 /nfs/dbraw/zinc/15/54/13/626155413.db2.gz AXLGDAJIBRUHEK-GOEBONIOSA-N 2 0 274.412 1.592 10 0 CDAERP C[C@@H]1C[C@H](C[NH2+]C2(c3ncccn3)CCC2)CC[NH2+]1 ZINC000903948412 626164042 /nfs/dbraw/zinc/16/40/42/626164042.db2.gz PVCMOFAGLODIBA-CHWSQXEVSA-N 2 0 260.385 1.834 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000903978952 626170383 /nfs/dbraw/zinc/17/03/83/626170383.db2.gz PJKHSWMZADDWLS-VXGBXAGGSA-N 2 0 265.405 1.368 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000903963931 626171015 /nfs/dbraw/zinc/17/10/15/626171015.db2.gz JWJAVIMHPQBYGE-DMRZNYOFSA-N 2 0 259.397 1.677 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc2c(c1)ncn2C ZINC000903964362 626171465 /nfs/dbraw/zinc/17/14/65/626171465.db2.gz KFHHTENRMBBKRH-YPMHNXCESA-N 2 0 258.369 1.518 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000903965164 626171899 /nfs/dbraw/zinc/17/18/99/626171899.db2.gz YIXUVVMCELQHIL-OCCSQVGLSA-N 2 0 271.368 1.212 10 0 CDAERP COC(=O)C1CCC([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903967035 626172091 /nfs/dbraw/zinc/17/20/91/626172091.db2.gz DYBYVIZNJPFCNF-IGJPJIBNSA-N 2 0 254.374 1.163 10 0 CDAERP CC(C)(C)[NH2+]CCN1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903983599 626173125 /nfs/dbraw/zinc/17/31/25/626173125.db2.gz JXRPLVDXCVZLQE-ZJUUUORDSA-N 2 0 267.339 1.586 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H]([C@]3(C)COC(=O)N3)C2)CC[NH2+]1 ZINC000903986501 626174237 /nfs/dbraw/zinc/17/42/37/626174237.db2.gz LACOLBLTINSGAX-NYTXWWLZSA-N 2 0 295.427 1.585 10 0 CDAERP C[N@@H+]1CCC[C@@H](CCNC(=[NH2+])NC[C@@H]2CCCS2)C1 ZINC000905044915 626383800 /nfs/dbraw/zinc/38/38/00/626383800.db2.gz WDOUKMLSRRCUOC-STQMWFEESA-N 2 0 284.473 1.728 10 0 CDAERP CC[N@H+]1[C@H](C)CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000912024894 629719702 /nfs/dbraw/zinc/71/97/02/629719702.db2.gz URNDDXVTKPASDT-OKILXGFUSA-N 2 0 281.444 1.659 10 0 CDAERP CCO[C@H]1[C@H](C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)[C@@H]1C ZINC000912304477 629914490 /nfs/dbraw/zinc/91/44/90/629914490.db2.gz QLQPBSUXLFCUDG-BYNSBNAKSA-N 2 0 299.459 1.046 10 0 CDAERP C[C@@]1(NC(=O)CCCC[NH+]2CCCC2)C[NH+]2CCC1CC2 ZINC000912378757 629951591 /nfs/dbraw/zinc/95/15/91/629951591.db2.gz KALVEPNOLDAKTN-QGZVFWFLSA-N 2 0 293.455 1.853 10 0 CDAERP C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)C12CC[NH+](CC1)C2 ZINC000912649557 630126341 /nfs/dbraw/zinc/12/63/41/630126341.db2.gz WLTIWMQNMMPZBK-CABCVRRESA-N 2 0 293.455 1.804 10 0 CDAERP C[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C)[NH+]1CCC(C)CC1 ZINC000915073411 631641512 /nfs/dbraw/zinc/64/15/12/631641512.db2.gz RIPYCJBXBRUSQD-QLFBSQMISA-N 2 0 296.459 1.499 10 0 CDAERP CC[N@@H+]1CC[C@H]1CNC(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000924022877 632651870 /nfs/dbraw/zinc/65/18/70/632651870.db2.gz UVDOLDAPNIEGBI-AWEZNQCLSA-N 2 0 291.399 1.041 10 0 CDAERP CCC[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1CC1 ZINC001670516642 1158628118 /nfs/dbraw/zinc/62/81/18/1158628118.db2.gz DYDWTZITUJCKJV-ZIAGYGMSSA-N 2 0 269.433 1.467 10 0 CDAERP CN(CC[NH2+]CCOC1CCC1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001691364477 1159037383 /nfs/dbraw/zinc/03/73/83/1159037383.db2.gz BGSPKPFTBZXDLA-HNNXBMFYSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)(C)CCC[NH2+][C@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001267027328 1159091961 /nfs/dbraw/zinc/09/19/61/1159091961.db2.gz YYJJJTXCGGLGBG-AWEZNQCLSA-N 2 0 292.427 1.900 10 0 CDAERP CCCC[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001715947371 1159766979 /nfs/dbraw/zinc/76/69/79/1159766979.db2.gz WENCTYBJTQJPSZ-GFCCVEGCSA-N 2 0 255.406 1.223 10 0 CDAERP Cc1cncc(C[NH2+]CCN(C)C(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001493501587 1160164080 /nfs/dbraw/zinc/16/40/80/1160164080.db2.gz WIPDGZXFDKSWNA-HNNXBMFYSA-N 2 0 290.411 1.032 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001483602902 1160955223 /nfs/dbraw/zinc/95/52/23/1160955223.db2.gz WNTRQAYSGAOSBQ-ZIAGYGMSSA-N 2 0 297.418 1.315 10 0 CDAERP O=C(NCC1([NH2+]CCCCCF)CC1)C12CC[NH+](CC1)C2 ZINC001670890012 1161218276 /nfs/dbraw/zinc/21/82/76/1161218276.db2.gz PJVJLZKYWCWUJA-UHFFFAOYSA-N 2 0 297.418 1.460 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)NCC[C@H](C)[NH+](C)C)C1 ZINC001632580809 1166359075 /nfs/dbraw/zinc/35/90/75/1166359075.db2.gz IMCFAZUQUZGTEO-KBPBESRZSA-N 2 0 269.433 1.563 10 0 CDAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+](C(C)C)C2)C1 ZINC001412622987 1166737974 /nfs/dbraw/zinc/73/79/74/1166737974.db2.gz QZGSPARWJKAQRH-HOTGVXAUSA-N 2 0 295.471 1.907 10 0 CDAERP C[C@H]([NH3+])CN1C[C@@H](C[C@@H]2COCC[NH2+]2)c2ccccc21 ZINC001646280823 1167742835 /nfs/dbraw/zinc/74/28/35/1167742835.db2.gz ZJIFIJPLXNWEIZ-BFHYXJOUSA-N 2 0 275.396 1.316 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1CC=C(C)C ZINC001565831967 1168178631 /nfs/dbraw/zinc/17/86/31/1168178631.db2.gz RJBUFSKYKSKFAW-HNNXBMFYSA-N 2 0 281.444 1.827 10 0 CDAERP CCCCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001566664813 1168376687 /nfs/dbraw/zinc/37/66/87/1168376687.db2.gz AMGDJGSTKZFIDD-AWEZNQCLSA-N 2 0 281.444 1.851 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CCC[C@H](C[NH2+]CCF)C1 ZINC001566909697 1168462997 /nfs/dbraw/zinc/46/29/97/1168462997.db2.gz CXTSLAOOOKRIOW-CQSZACIVSA-N 2 0 287.423 1.516 10 0 CDAERP CC(C)[NH2+][C@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001567059042 1168538189 /nfs/dbraw/zinc/53/81/89/1168538189.db2.gz FOYWCXRGWBJCFT-ZIAGYGMSSA-N 2 0 269.433 1.754 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)[C@@H]1CC[C@@H]2C[C@@H](C)C[N@@H+]2C1 ZINC001649314396 1169190967 /nfs/dbraw/zinc/19/09/67/1169190967.db2.gz UMGHVLSFAHPPQJ-BZUAXINKSA-N 2 0 295.471 1.907 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]CC2CCCCC2)C1 ZINC001649439954 1169253640 /nfs/dbraw/zinc/25/36/40/1169253640.db2.gz LOVPJRVCVLFRRH-OAHLLOKOSA-N 2 0 295.471 1.957 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C[NH2+]C(C)C)[NH+](CC)CC ZINC001569079846 1169634466 /nfs/dbraw/zinc/63/44/66/1169634466.db2.gz PKMJOMVBMBODPS-QWHCGFSZSA-N 2 0 257.422 1.610 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)CC[NH+](C)C)CC1 ZINC001569864633 1170020461 /nfs/dbraw/zinc/02/04/61/1170020461.db2.gz DVNAPURIGDZIMS-SHTZXODSSA-N 2 0 283.460 1.860 10 0 CDAERP CCCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001570960831 1170322621 /nfs/dbraw/zinc/32/26/21/1170322621.db2.gz AKOSAGLPMFTRES-YHUYYLMFSA-N 2 0 293.455 1.422 10 0 CDAERP CC[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CC(C)C)[NH+](C)C ZINC001656075281 1171758599 /nfs/dbraw/zinc/75/85/99/1171758599.db2.gz QDVXADDDXGTMRL-UONOGXRCSA-N 2 0 269.433 1.515 10 0 CDAERP CC[NH2+][C@@H]1CCCCCN(C(=O)CC[NH+](C)C)C1 ZINC001656900114 1171894578 /nfs/dbraw/zinc/89/45/78/1171894578.db2.gz YIOVTTVXOMPADH-CYBMUJFWSA-N 2 0 255.406 1.319 10 0 CDAERP CCC(=O)NC1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001620583060 1172362601 /nfs/dbraw/zinc/36/26/01/1172362601.db2.gz YRROWFBWBQXKAS-AWEZNQCLSA-N 2 0 267.417 1.461 10 0 CDAERP Cc1cnc2cc(C(=O)N(C)CC[NH2+]CCF)ccn12 ZINC001663931076 1172790804 /nfs/dbraw/zinc/79/08/04/1172790804.db2.gz BBHPUVXOYWPQJF-UHFFFAOYSA-N 2 0 278.331 1.274 10 0 CDAERP CC(C)C[NH2+]C1(CNC(=O)CC[NH+](C)C)CCCC1 ZINC001666787325 1173185615 /nfs/dbraw/zinc/18/56/15/1173185615.db2.gz RBJBWFXCHSZYJM-UHFFFAOYSA-N 2 0 269.433 1.613 10 0 CDAERP CC(C)[NH2+][C@@H](CNC(=O)C[N@H+](C)C(C)C)C(C)C ZINC001667519494 1173278377 /nfs/dbraw/zinc/27/83/77/1173278377.db2.gz HVIXQMIEYUJLCT-ZDUSSCGKSA-N 2 0 257.422 1.465 10 0 CDAERP CC[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)C(C)C ZINC001689954679 1175321203 /nfs/dbraw/zinc/32/12/03/1175321203.db2.gz GXLMBRNOIHKWRL-UHFFFAOYSA-N 2 0 269.433 1.565 10 0 CDAERP CC[N@H+](CCCNC(=O)C[NH+]1CCCC1)CC1CC1 ZINC001689969858 1175325833 /nfs/dbraw/zinc/32/58/33/1175325833.db2.gz VVEOXLLKBJBDCS-UHFFFAOYSA-N 2 0 267.417 1.320 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]C/C=C/Cl)C1 ZINC001690730892 1175557039 /nfs/dbraw/zinc/55/70/39/1175557039.db2.gz VVNQHVLDSVJUDT-SZBGIYDQSA-N 2 0 299.846 1.661 10 0 CDAERP CCN1CC(NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001692209862 1175701518 /nfs/dbraw/zinc/70/15/18/1175701518.db2.gz MMFNFFBYKRRORK-UHFFFAOYSA-N 2 0 267.417 1.460 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CC1CCC1 ZINC001692388727 1175757340 /nfs/dbraw/zinc/75/73/40/1175757340.db2.gz BXNAGZSBTYXHSU-OCCSQVGLSA-N 2 0 267.417 1.317 10 0 CDAERP CC[C@H](C(=O)NC[C@H](CC)[NH2+]CC1CCC1)[NH+](C)C ZINC001698603435 1175868085 /nfs/dbraw/zinc/86/80/85/1175868085.db2.gz BEUHJKKCKYDUAY-UONOGXRCSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)OCC[NH2+]C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001699374700 1176334301 /nfs/dbraw/zinc/33/43/01/1176334301.db2.gz QOYGREOZMXMJDF-CQSZACIVSA-N 2 0 299.459 1.380 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]CC[C@H]1CCCCO1 ZINC001699388367 1176346081 /nfs/dbraw/zinc/34/60/81/1176346081.db2.gz QWFSKPGSYJPSPX-HUUCEWRRSA-N 2 0 299.459 1.380 10 0 CDAERP CC[N@H+](C)C[C@@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001699478514 1176437257 /nfs/dbraw/zinc/43/72/57/1176437257.db2.gz YYKHBKVJYFCEHY-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP CN(CCC[NH2+]CC1CC1)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001699545640 1176469565 /nfs/dbraw/zinc/46/95/65/1176469565.db2.gz XZAINWOZNUZCCR-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[NH2+]C[C@]1(C)CCN(C(=O)CCn2ccnc2)C1 ZINC001699845065 1176653642 /nfs/dbraw/zinc/65/36/42/1176653642.db2.gz DNHZOUFSNHGGOO-HNNXBMFYSA-N 2 0 278.400 1.511 10 0 CDAERP CC[NH2+]C[C@@]1(C)CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001699853065 1176656269 /nfs/dbraw/zinc/65/62/69/1176656269.db2.gz GZEQUQPVWMAQIR-OAHLLOKOSA-N 2 0 269.433 1.566 10 0 CDAERP C[N@H+](CC(=O)N1CCCC[C@H]1C[NH2+]CCF)C1CCC1 ZINC001700344524 1176860675 /nfs/dbraw/zinc/86/06/75/1176860675.db2.gz KRIOQURZHRVULR-AWEZNQCLSA-N 2 0 285.407 1.411 10 0 CDAERP CC[NH2+][C@H](C)[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001700429994 1176924399 /nfs/dbraw/zinc/92/43/99/1176924399.db2.gz JEBSDKQGFPZIEA-CHWSQXEVSA-N 2 0 255.406 1.365 10 0 CDAERP CC(C)[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001701000563 1177234033 /nfs/dbraw/zinc/23/40/33/1177234033.db2.gz QOMOUTGIESIOHH-STQMWFEESA-N 2 0 269.433 1.467 10 0 CDAERP CC[N@H+](CCF)CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001713017706 1178307447 /nfs/dbraw/zinc/30/74/47/1178307447.db2.gz ZCFKVYIGOJKQEK-UHFFFAOYSA-N 2 0 285.407 1.413 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@@H]2CCC[C@H]([NH2+]CCCF)C2)CCC1 ZINC001713375449 1178527670 /nfs/dbraw/zinc/52/76/70/1178527670.db2.gz QGGAKRDONVEXTM-UONOGXRCSA-N 2 0 299.434 1.847 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@](C)(C[NH2+]CCF)C2CC2)CC[N@@H+]1C ZINC001714162468 1178997301 /nfs/dbraw/zinc/99/73/01/1178997301.db2.gz HKOGISBHRIXEFS-LZWOXQAQSA-N 2 0 299.434 1.561 10 0 CDAERP CC(C)=CC[NH2+]C[C@](C)(NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001714175915 1179004114 /nfs/dbraw/zinc/00/41/14/1179004114.db2.gz CJNQIQCVYNLKLM-PBHICJAKSA-N 2 0 293.455 1.779 10 0 CDAERP C[C@H](C[NH2+]CCC(F)(F)F)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001714566022 1179220885 /nfs/dbraw/zinc/22/08/85/1179220885.db2.gz VJIOHSJAIDHBRE-MNOVXSKESA-N 2 0 295.349 1.470 10 0 CDAERP CC/C=C/CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001714922978 1179455056 /nfs/dbraw/zinc/45/50/56/1179455056.db2.gz OQTHZUDSRMKPNW-FZZYSBJUSA-N 2 0 293.455 1.875 10 0 CDAERP CCOCCC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001715033464 1179518216 /nfs/dbraw/zinc/51/82/16/1179518216.db2.gz WREPFOWVDCTARF-OAHLLOKOSA-N 2 0 297.443 1.042 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001715030621 1179518605 /nfs/dbraw/zinc/51/86/05/1179518605.db2.gz HFIPPYUKZXWSCG-CYBMUJFWSA-N 2 0 255.406 1.271 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCCC(C)C ZINC001715079058 1179543258 /nfs/dbraw/zinc/54/32/58/1179543258.db2.gz FQGSFSLSBCUBGZ-CABCVRRESA-N 2 0 283.460 1.859 10 0 CDAERP CCCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001715605857 1179731117 /nfs/dbraw/zinc/73/11/17/1179731117.db2.gz QFBRJOMRJZENEZ-LSDHHAIUSA-N 2 0 299.459 1.116 10 0 CDAERP CC[C@H](F)C[NH2+]CCN(CC)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001715735960 1179785274 /nfs/dbraw/zinc/78/52/74/1179785274.db2.gz YLCVFFLYAQQVIR-GJZGRUSLSA-N 2 0 299.434 1.514 10 0 CDAERP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+]CCC2CC2)CC[N@@H+]1C ZINC001715822142 1179847807 /nfs/dbraw/zinc/84/78/07/1179847807.db2.gz WWMPWUUKQLORON-PRXHZCDDSA-N 2 0 279.428 1.389 10 0 CDAERP CC(C)C[NH2+]CC[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001716153389 1180074548 /nfs/dbraw/zinc/07/45/48/1180074548.db2.gz JGQZTFZJMVMWQA-CQSZACIVSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)=CC[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001716698829 1180376901 /nfs/dbraw/zinc/37/69/01/1180376901.db2.gz STARKFXREJFAGY-UHFFFAOYSA-N 2 0 277.412 1.287 10 0 CDAERP COCCCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001717292880 1180607208 /nfs/dbraw/zinc/60/72/08/1180607208.db2.gz CGIRIVAWZBEYIE-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+](C)CCC ZINC001723966978 1181626350 /nfs/dbraw/zinc/62/63/50/1181626350.db2.gz IQYUEEHILFBTSQ-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP COCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001725508538 1182030080 /nfs/dbraw/zinc/03/00/80/1182030080.db2.gz FQCBGBHHWFDXRB-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N(C)C2CC([NH2+]CCCF)C2)C1 ZINC001725786226 1182132620 /nfs/dbraw/zinc/13/26/20/1182132620.db2.gz MYBHNVRGZOLZMO-HSBZDZAISA-N 2 0 285.407 1.267 10 0 CDAERP C[N@H+](CCCF)CCCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001731248001 1182274148 /nfs/dbraw/zinc/27/41/48/1182274148.db2.gz IADRILXKYNYHOP-LSDHHAIUSA-N 2 0 299.434 1.801 10 0 CDAERP COCC[N@H+](C)CCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001731271231 1182287479 /nfs/dbraw/zinc/28/74/79/1182287479.db2.gz LHCYRAJNZHUAMM-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H](C[NH2+]CCCF)C2)C1 ZINC001731530260 1182437496 /nfs/dbraw/zinc/43/74/96/1182437496.db2.gz OMULTGSZVWNPSW-KGLIPLIRSA-N 2 0 285.407 1.126 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001731631973 1182491629 /nfs/dbraw/zinc/49/16/29/1182491629.db2.gz AYNGNSPBQAMMFM-QWHCGFSZSA-N 2 0 255.406 1.079 10 0 CDAERP CCc1noc(C)c1C[NH2+]CCN(C)C(=O)CC[NH+](C)C ZINC001731950109 1182694710 /nfs/dbraw/zinc/69/47/10/1182694710.db2.gz QWCLVLIOERYXJP-UHFFFAOYSA-N 2 0 296.415 1.045 10 0 CDAERP CC[NH2+]C[C@](C)(NC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001732247848 1182881972 /nfs/dbraw/zinc/88/19/72/1182881972.db2.gz MTRUDFFWIHDFJB-WFASDCNBSA-N 2 0 267.417 1.223 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]CCF)CC1 ZINC001732618588 1183048834 /nfs/dbraw/zinc/04/88/34/1183048834.db2.gz AWINKYVMMFWIOQ-OLZOCXBDSA-N 2 0 285.407 1.172 10 0 CDAERP CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CCC[NH+](C)C ZINC001732620272 1183051552 /nfs/dbraw/zinc/05/15/52/1183051552.db2.gz NVDYDGYUHOMZCG-KGLIPLIRSA-N 2 0 269.433 1.613 10 0 CDAERP O=C(N[C@H]1CCC[C@H]1C[NH2+]CCCF)C12CC[NH+](CC1)C2 ZINC001732632725 1183057118 /nfs/dbraw/zinc/05/71/18/1183057118.db2.gz YTRZAIWTIIWHRH-KBPBESRZSA-N 2 0 297.418 1.316 10 0 CDAERP C[C@@H](C[NH2+]CCCC(C)(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001733023489 1183242696 /nfs/dbraw/zinc/24/26/96/1183242696.db2.gz VYKOOMLHYKWELC-UONOGXRCSA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)CC[NH2+]CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001733124765 1183299522 /nfs/dbraw/zinc/29/95/22/1183299522.db2.gz ZWICLSRUHUQVKC-UHFFFAOYSA-N 2 0 283.460 1.812 10 0 CDAERP CC[NH2+]C1(CNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001733246875 1183367656 /nfs/dbraw/zinc/36/76/56/1183367656.db2.gz CMFLIUTWHOHEAC-UHFFFAOYSA-N 2 0 265.401 1.121 10 0 CDAERP CC(C)[NH2+]C[C@@]1(C)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001733445991 1183434798 /nfs/dbraw/zinc/43/47/98/1183434798.db2.gz RWCZHAWNWYGUIB-OAHLLOKOSA-N 2 0 267.417 1.319 10 0 CDAERP CC[N@@H+]1CCC[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001733463399 1183439605 /nfs/dbraw/zinc/43/96/05/1183439605.db2.gz OGFAVCINCVCQPY-CQSZACIVSA-N 2 0 255.406 1.176 10 0 CDAERP CCOCC[N@H+](C)C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001734273113 1183708917 /nfs/dbraw/zinc/70/89/17/1183708917.db2.gz BWVIEIJYJNKOKP-UHFFFAOYSA-N 2 0 299.459 1.286 10 0 CDAERP C[C@@H]1[C@@H]([NH2+]CCCF)CCN1C(=O)CCC[NH+](C)C ZINC001734399940 1183762872 /nfs/dbraw/zinc/76/28/72/1183762872.db2.gz QBVXPZDKOLCGSQ-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP CCCC[NH2+]C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001734488573 1183797545 /nfs/dbraw/zinc/79/75/45/1183797545.db2.gz VMCHLXSPZOVOCA-CABCVRRESA-N 2 0 281.444 1.757 10 0 CDAERP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CC1CCC(O)CC1 ZINC001771782848 1186870365 /nfs/dbraw/zinc/87/03/65/1186870365.db2.gz TYNJCZUIYHERBW-GLUHHBOGSA-N 2 0 296.455 1.721 10 0 CDAERP CO[C@H]1CCC[C@@H]([NH2+]CCCCCN2CC[NH2+]CC2)C1 ZINC000925845240 710753178 /nfs/dbraw/zinc/75/31/78/710753178.db2.gz FRFGCLTYOAJOTF-CVEARBPZSA-N 2 0 283.460 1.609 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)C=C2CC[NH2+]CC2)C1 ZINC000852861251 705334845 /nfs/dbraw/zinc/33/48/45/705334845.db2.gz AAUWTRQRVKTKFB-AWEZNQCLSA-N 2 0 265.401 1.143 10 0 CDAERP COC[C@@H]1CC[C@@H]([C@H]2COCC[N@@H+]2C[C@@H]2CC[C@H]([NH3+])C2)O1 ZINC000923554373 705373212 /nfs/dbraw/zinc/37/32/12/705373212.db2.gz NWNDCKPDZNWKCY-CWVYHPPDSA-N 2 0 298.427 1.009 10 0 CDAERP C[NH+](C)Cc1ccccc1CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870856410 705401178 /nfs/dbraw/zinc/40/11/78/705401178.db2.gz QHJBDYFENNJVEP-VYDXJSESSA-N 2 0 287.407 1.492 10 0 CDAERP C[C@@H](CC(=O)N1CCCCCC1)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925876673 705419373 /nfs/dbraw/zinc/41/93/73/705419373.db2.gz DQJKNFQKKIRLGH-ZNMIVQPWSA-N 2 0 281.444 1.885 10 0 CDAERP CC(C)(C)NC(=O)CC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925594741 705448779 /nfs/dbraw/zinc/44/87/79/705448779.db2.gz RAPJOUSCCHOIOV-RYUDHWBXSA-N 2 0 269.433 1.787 10 0 CDAERP CCCCOC(=O)[C@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000843386031 705466402 /nfs/dbraw/zinc/46/64/02/705466402.db2.gz BGQOEXKRZRAUEV-MELADBBJSA-N 2 0 268.401 1.650 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)NCCCCCC[NH3+] ZINC000843511123 705555274 /nfs/dbraw/zinc/55/52/74/705555274.db2.gz HPEOYOWTCALRDW-LBPRGKRZSA-N 2 0 255.406 1.400 10 0 CDAERP O[C@H](C[NH2+]CC[C@H]1CCCS1)C[NH+]1CCCC1 ZINC000715869277 705519771 /nfs/dbraw/zinc/51/97/71/705519771.db2.gz WQQWOASSISDNKN-CHWSQXEVSA-N 2 0 258.431 1.318 10 0 CDAERP C[C@H]1C[N@H+](Cc2ccc(-n3ccnc3)nc2)CC[C@H]1C[NH3+] ZINC000923500790 705663176 /nfs/dbraw/zinc/66/31/76/705663176.db2.gz PDCHTWSYDCCTIM-ZFWWWQNUSA-N 2 0 285.395 1.684 10 0 CDAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCCOC(F)(F)F)C[C@H]12 ZINC000713408376 705670802 /nfs/dbraw/zinc/67/08/02/705670802.db2.gz ZJGYMXRRJDSVDD-LPEHRKFASA-N 2 0 252.280 1.582 10 0 CDAERP C[NH+](C)CCOCC[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000723617334 705709667 /nfs/dbraw/zinc/70/96/67/705709667.db2.gz ZQTUNLGGHHPSAJ-SOUVJXGZSA-N 2 0 270.417 1.359 10 0 CDAERP CC[C@H]1CCN(C(=[NH2+])NC[C@@H](C)N2CC[NH+](CC)CC2)C1 ZINC000864451525 705712755 /nfs/dbraw/zinc/71/27/55/705712755.db2.gz CJPYZLQPYFGSKC-CABCVRRESA-N 2 0 295.475 1.269 10 0 CDAERP CC[C@@H]1CC[C@H]1[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925848451 705713677 /nfs/dbraw/zinc/71/36/77/705713677.db2.gz ATJIRFIHDZVUJF-JHJVBQTASA-N 2 0 266.385 1.450 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925676508 705730044 /nfs/dbraw/zinc/73/00/44/705730044.db2.gz NESBUQIAZUZTJB-RDBSUJKOSA-N 2 0 253.434 1.966 10 0 CDAERP COc1ccccc1[C@@H]([NH3+])CNC(=O)C=C1CC[NH2+]CC1 ZINC000852792321 705748274 /nfs/dbraw/zinc/74/82/74/705748274.db2.gz VUEPZCFIDUWXIQ-AWEZNQCLSA-N 2 0 289.379 1.121 10 0 CDAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)C=C3CC[NH2+]CC3)CC[C@H]21 ZINC000852888005 705757838 /nfs/dbraw/zinc/75/78/38/705757838.db2.gz GSFJBGWICPKVRN-HUUCEWRRSA-N 2 0 277.412 1.239 10 0 CDAERP C[NH+](C)CCC[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000230354634 705768026 /nfs/dbraw/zinc/76/80/26/705768026.db2.gz RPLKZZGTAPCQGN-CYBMUJFWSA-N 2 0 285.432 1.927 10 0 CDAERP CC(C)N1CC[C@H]([N@H+](C)CCCCCC[NH3+])C1=O ZINC000710817770 705769472 /nfs/dbraw/zinc/76/94/72/705769472.db2.gz CZWUDUHOLWTICU-ZDUSSCGKSA-N 2 0 255.406 1.447 10 0 CDAERP C[C@@H](CN[C@@H]1CC[NH2+]C12CCCC2)[N@H+](C)C1CC1 ZINC000925491995 705798495 /nfs/dbraw/zinc/79/84/95/705798495.db2.gz GQWFQKWZGFIMIG-GXTWGEPZSA-N 2 0 251.418 1.733 10 0 CDAERP C[C@@H]([NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)C1CC[NH2+]CC1 ZINC000925725875 705810889 /nfs/dbraw/zinc/81/08/89/705810889.db2.gz CZCVYUGJXGMMOA-RZFFKMDDSA-N 3 0 265.445 1.741 10 0 CDAERP COC(=O)/C(C)=C\CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000211470055 705823057 /nfs/dbraw/zinc/82/30/57/705823057.db2.gz VPDMFSKVJYIOFV-NGPFNDBQSA-N 2 0 266.385 1.522 10 0 CDAERP Cn1c(C[NH2+]CCCC[NH+]2CCN(C)CC2)cnc1Cl ZINC000848528116 705845352 /nfs/dbraw/zinc/84/53/52/705845352.db2.gz IIQHBOXBJYOAFP-UHFFFAOYSA-N 2 0 299.850 1.191 10 0 CDAERP C[C@H]1[C@H](NC(=O)NCc2cc(N(C)C)cc[nH+]2)CC[N@@H+]1C ZINC000924676897 705846411 /nfs/dbraw/zinc/84/64/11/705846411.db2.gz IANXGKPGWKBJDH-SMDDNHRTSA-N 2 0 291.399 1.039 10 0 CDAERP C[C@H]1C[N@H+](CC(=O)Nc2cc(F)cc(F)c2)CC[C@@H]1C[NH3+] ZINC000923499109 705853131 /nfs/dbraw/zinc/85/31/31/705853131.db2.gz JWAVIBCCYJTKPP-WDEREUQCSA-N 2 0 297.349 1.820 10 0 CDAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC12CC(C1)C[NH2+]2 ZINC000870903048 705866178 /nfs/dbraw/zinc/86/61/78/705866178.db2.gz CDXJRKAURQJPEU-DGNOSDGRSA-N 2 0 291.439 1.604 10 0 CDAERP C[C@@H]1C[NH+](CCCC[NH2+][C@H]2CN3C[C@@H]2CCC3)C[C@@H](C)O1 ZINC000925441268 705873969 /nfs/dbraw/zinc/87/39/69/705873969.db2.gz YYCDLLCISJGHAB-NCOADZHNSA-N 2 0 295.471 1.560 10 0 CDAERP CCC[C@@H](C)C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872256736 705883222 /nfs/dbraw/zinc/88/32/22/705883222.db2.gz XGALUHXENMPPAI-SYQHCUMBSA-N 2 0 281.400 1.290 10 0 CDAERP C[C@H]1[C@H](C)OC[C@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000924966934 705889664 /nfs/dbraw/zinc/88/96/64/705889664.db2.gz RXFHMLHODLQVJZ-SOUVJXGZSA-N 2 0 269.433 1.027 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc(CC[NH3+])cc2)C1 ZINC000841725897 705910574 /nfs/dbraw/zinc/91/05/74/705910574.db2.gz CELGRCCCJPONHG-OAHLLOKOSA-N 2 0 290.411 1.081 10 0 CDAERP CCCCOC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923495603 705929644 /nfs/dbraw/zinc/92/96/44/705929644.db2.gz CVFVPBOPHLABSA-FRRDWIJNSA-N 2 0 256.390 1.635 10 0 CDAERP [NH3+][C@H](CN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)C1CC1 ZINC000925697406 705939184 /nfs/dbraw/zinc/93/91/84/705939184.db2.gz FUMCXIGMZHYZHN-RBSFLKMASA-N 2 0 251.418 1.482 10 0 CDAERP C[C@H]1C[N@H+](CCC(=O)NCC2CCCCC2)CC[C@H]1C[NH3+] ZINC000923496980 705985217 /nfs/dbraw/zinc/98/52/17/705985217.db2.gz KTSMVGOQQKUWIK-HOCLYGCPSA-N 2 0 295.471 1.990 10 0 CDAERP Cn1c(Cl)ncc1C[NH2+]CCCn1ccnc1 ZINC000848524206 706000962 /nfs/dbraw/zinc/00/09/62/706000962.db2.gz DKBHMDCDDBZHQA-UHFFFAOYSA-N 2 0 253.737 1.450 10 0 CDAERP C[C@H](CCCCO)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925782092 706014630 /nfs/dbraw/zinc/01/46/30/706014630.db2.gz KWLQUINRZBZFPG-MNOVXSKESA-N 2 0 250.333 1.372 10 0 CDAERP Cn1ncc(CCC[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)n1 ZINC000925677841 706079416 /nfs/dbraw/zinc/07/94/16/706079416.db2.gz QUDPYVHJNZQYJB-JKSUJKDBSA-N 2 0 291.443 1.506 10 0 CDAERP CCCCOC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000227911616 706079611 /nfs/dbraw/zinc/07/96/11/706079611.db2.gz AYFMPMWYALFPCP-GBJTYRQASA-N 2 0 270.417 1.223 10 0 CDAERP C[C@@H]1C[N@@H+]([C@@H]2CCc3ccccc3NC2=O)CC[C@@H]1C[NH3+] ZINC000923495465 706130804 /nfs/dbraw/zinc/13/08/04/706130804.db2.gz WCUUWZIQSORAFU-XNRPHZJLSA-N 2 0 287.407 1.857 10 0 CDAERP COC(OC)[C@@H](C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000079608340 706133617 /nfs/dbraw/zinc/13/36/17/706133617.db2.gz GNVNBKFEGHWOFP-GFCCVEGCSA-N 2 0 279.384 1.647 10 0 CDAERP C[NH+](C)C[C@@H]1CN(C(=S)NC2(C)CC2)C[C@H]1C[NH+](C)C ZINC000865245187 706143991 /nfs/dbraw/zinc/14/39/91/706143991.db2.gz HGVARVRJPHNWFL-CHWSQXEVSA-N 2 0 298.500 1.085 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cnc(C3OCCO3)s2)C1 ZINC000848562047 706155170 /nfs/dbraw/zinc/15/51/70/706155170.db2.gz GFZLINAXBDPUHT-PHIMTYICSA-N 2 0 297.424 1.618 10 0 CDAERP C(CN(C1CC1)[C@H]1CC[NH2+]C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923329751 706201837 /nfs/dbraw/zinc/20/18/37/706201837.db2.gz OFPXZQHMRYRGAE-HUORLRHWSA-N 2 0 263.429 1.733 10 0 CDAERP C[C@@H]1C[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)C[C@@H](C)S1 ZINC000923308653 706204122 /nfs/dbraw/zinc/20/41/22/706204122.db2.gz HKBOZVJIOJMCJP-IJLUTSLNSA-N 2 0 256.415 1.191 10 0 CDAERP C[C@H]1C[C@@H]1NC(=[NH2+])NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000864470345 706250559 /nfs/dbraw/zinc/25/05/59/706250559.db2.gz XWYIZWYGDRWGGY-UKMLZYKCSA-N 2 0 286.423 1.854 10 0 CDAERP CC[C@@H]([NH2+]CCN(C)CCCOC)[C@@H]1CCCOC1 ZINC000872039710 706252082 /nfs/dbraw/zinc/25/20/82/706252082.db2.gz UNLDPXAHTQNZBA-HUUCEWRRSA-N 2 0 272.433 1.750 10 0 CDAERP CCn1nc(C)c([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)n1 ZINC000926573836 709557579 /nfs/dbraw/zinc/55/75/79/709557579.db2.gz QDNOILIDSJRXQQ-OCCSQVGLSA-N 2 0 279.432 1.989 10 0 CDAERP C([C@H]1C[C@H]2CCC[C@@H]2O1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000720898826 709632986 /nfs/dbraw/zinc/63/29/86/709632986.db2.gz XKAZKMVYVRVQDZ-KHMAMNHCSA-N 2 0 250.386 1.485 10 0 CDAERP C[N@@H+]1CCN(C(=O)[C@H]2[NH2+]CCCC2(C)C)CCC1(C)C ZINC000712683480 709674409 /nfs/dbraw/zinc/67/44/09/709674409.db2.gz AILPQGLADLMRID-CYBMUJFWSA-N 2 0 281.444 1.707 10 0 CDAERP c1ncc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cn1 ZINC000850344023 709684299 /nfs/dbraw/zinc/68/42/99/709684299.db2.gz ABHIOUYZDUBQGU-UHFFFAOYSA-N 2 0 290.411 1.457 10 0 CDAERP C[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1ccncc1 ZINC000925843219 709801929 /nfs/dbraw/zinc/80/19/29/709801929.db2.gz DDYLCDNIQJCONB-OAHLLOKOSA-N 2 0 276.428 1.808 10 0 CDAERP CN1CC[N@H+](CCC2CC[NH2+]CC2)Cc2cccnc21 ZINC000866728122 709805814 /nfs/dbraw/zinc/80/58/14/709805814.db2.gz XMRXSXXZOUYORB-UHFFFAOYSA-N 2 0 274.412 1.723 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H](C)[C@@H](O)c1ccc(F)cc1 ZINC000817913666 709816295 /nfs/dbraw/zinc/81/62/95/709816295.db2.gz QFEFEOMYIDEGGD-BYCMXARLSA-N 2 0 284.375 1.591 10 0 CDAERP O=C1OCC[C@@H]1CCC[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000926830965 709840483 /nfs/dbraw/zinc/84/04/83/709840483.db2.gz POHWXCOTSHSUAO-ZNMIVQPWSA-N 2 0 280.412 1.936 10 0 CDAERP C[C@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)C1CC[NH+](C)CC1 ZINC000724661196 709848125 /nfs/dbraw/zinc/84/81/25/709848125.db2.gz VBYVQRNRAMVJMD-MYPMTAMASA-N 2 0 268.401 1.110 10 0 CDAERP CCOCCOCC[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000930001731 709974134 /nfs/dbraw/zinc/97/41/34/709974134.db2.gz VSSYMURYBUFJAG-HUUCEWRRSA-N 2 0 272.433 1.702 10 0 CDAERP CCOC(=O)N1CCC([NH2+]CC[C@@H]([NH3+])C(C)C)CC1 ZINC000853247303 710053319 /nfs/dbraw/zinc/05/33/19/710053319.db2.gz LCBDDGPZOODMLS-CYBMUJFWSA-N 2 0 271.405 1.570 10 0 CDAERP [NH3+]CC1(O)CC[NH+](CC2CCC3(CC3)CC2)CC1 ZINC000923380777 710079359 /nfs/dbraw/zinc/07/93/59/710079359.db2.gz IGEOGQALIRSUGP-UHFFFAOYSA-N 2 0 252.402 1.742 10 0 CDAERP C[C@H](C[NH2+][C@@H](C)c1ccnnc1)CN1CC[NH+](C)CC1 ZINC000924949740 710080046 /nfs/dbraw/zinc/08/00/46/710080046.db2.gz HIOOLPOUCHMANK-KGLIPLIRSA-N 2 0 277.416 1.011 10 0 CDAERP CC1(C)[C@H]([NH3+])c2ccccc2N1C(=O)C[C@@H]1COCC[NH2+]1 ZINC000867988762 710094833 /nfs/dbraw/zinc/09/48/33/710094833.db2.gz UAVJMWDBPPUUIN-IAQYHMDHSA-N 2 0 289.379 1.190 10 0 CDAERP C/C(=C/c1ccccc1)C[NH2+]C[C@@H]1CC[NH2+]C[C@H]1O ZINC000096812246 710100922 /nfs/dbraw/zinc/10/09/22/710100922.db2.gz DRGCIDMDCVBBQC-KTDOTMJKSA-N 2 0 260.381 1.650 10 0 CDAERP CCCNC(=O)CC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925494204 710117199 /nfs/dbraw/zinc/11/71/99/710117199.db2.gz JBZZSOOOMZLIMD-CABCVRRESA-N 2 0 281.444 1.661 10 0 CDAERP C[C@H]1C[C@@H]1NC(=[NH2+])NCc1ccnc(OCC[NH+](C)C)c1 ZINC000864463255 710167014 /nfs/dbraw/zinc/16/70/14/710167014.db2.gz UBFNVAMRIYGRRO-AAEUAGOBSA-N 2 0 291.399 1.044 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000924988468 710219471 /nfs/dbraw/zinc/21/94/71/710219471.db2.gz BCJQNDRXAOBXOA-BRWVUGGUSA-N 3 0 294.487 1.229 10 0 CDAERP CC1(C)[C@@H]([NH2+]C[C@@H]2CCCC[C@H]2O)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925691371 710221735 /nfs/dbraw/zinc/22/17/35/710221735.db2.gz XCTMRCBSZXSKBI-QRTUWBSPSA-N 2 0 266.429 1.904 10 0 CDAERP COC(=O)[C@]12C[C@H]1CCC[N@@H+]2CCCCCCC[NH3+] ZINC000923550563 710223275 /nfs/dbraw/zinc/22/32/75/710223275.db2.gz DNTURTZOHJIYBG-HIFRSBDPSA-N 2 0 268.401 1.923 10 0 CDAERP CC[C@H](C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1)[NH+](C)C ZINC000870989193 710250722 /nfs/dbraw/zinc/25/07/22/710250722.db2.gz AEKYINHXAGIFAT-IUODEOHRSA-N 2 0 269.433 1.550 10 0 CDAERP C[NH2+]CCN(C)C(=O)C[C@@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000841849529 710270831 /nfs/dbraw/zinc/27/08/31/710270831.db2.gz ZJYCZFZDJRHJFW-LLVKDONJSA-N 2 0 284.791 1.111 10 0 CDAERP C[N@@H+]1CCN(C(=O)CC[C@H]2CC[NH2+]C2)CCC1(C)C ZINC000712676714 710332165 /nfs/dbraw/zinc/33/21/65/710332165.db2.gz AWWIWWKOSHPUOR-ZDUSSCGKSA-N 2 0 267.417 1.319 10 0 CDAERP CC1(C)C[C@@H]([NH2+]CCNC(=O)c2ccco2)C[C@@H]([NH3+])C1 ZINC000925519552 710369486 /nfs/dbraw/zinc/36/94/86/710369486.db2.gz SSYNRUIVBJZDQE-NEPJUHHUSA-N 2 0 279.384 1.505 10 0 CDAERP C[C@H]([NH3+])[C@H](C)C(=O)N1c2ccccc2[C@H]([NH3+])C1(C)C ZINC000867986270 710382957 /nfs/dbraw/zinc/38/29/57/710382957.db2.gz APMCLQNPSDJRIY-KWBADKCTSA-N 2 0 261.369 1.795 10 0 CDAERP CC(C)[C@H]([NH3+])CCN(C)C(=O)CCC12CC(C1)C[NH2+]2 ZINC000870937678 710385014 /nfs/dbraw/zinc/38/50/14/710385014.db2.gz PRVWGMMFXFBIJU-JVWICGRDSA-N 2 0 267.417 1.350 10 0 CDAERP C[C@@H](C[C@@H]1COCCN1)[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000712399446 710386123 /nfs/dbraw/zinc/38/61/23/710386123.db2.gz YWFJGMLXRWOKIP-SBJFKYEJSA-N 2 0 252.402 1.922 10 0 CDAERP C[NH+](C)CC1CN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000854721459 710390239 /nfs/dbraw/zinc/39/02/39/710390239.db2.gz FPNIXOKIYSMXJI-OAHLLOKOSA-N 2 0 285.407 1.219 10 0 CDAERP C[N@H+](C[C@@H]1C[C@@H]2COC[C@@H]2O1)C[C@H]1CCC[NH+](C)C1 ZINC000929699528 710396633 /nfs/dbraw/zinc/39/66/33/710396633.db2.gz QPJFWZHLRXESLH-XGUBFFRZSA-N 2 0 268.401 1.064 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000094752384 710405307 /nfs/dbraw/zinc/40/53/07/710405307.db2.gz MGGGDHLSKIQLHM-MJBXVCDLSA-N 2 0 267.417 1.495 10 0 CDAERP COC(=O)c1ccc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)o1 ZINC000723893511 710406618 /nfs/dbraw/zinc/40/66/18/710406618.db2.gz ADGWLNGJYYKSIX-GHMZBOCLSA-N 2 0 266.341 1.483 10 0 CDAERP CN(CC[NH+](C)C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810465959 710410151 /nfs/dbraw/zinc/41/01/51/710410151.db2.gz CPPZIZRSKQVKRV-AWEZNQCLSA-N 2 0 273.396 1.219 10 0 CDAERP CC1(C)CO[C@@H](C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)C1 ZINC000872143400 710410403 /nfs/dbraw/zinc/41/04/03/710410403.db2.gz RFYULBTYDGSREO-KFWWJZLASA-N 2 0 282.428 1.630 10 0 CDAERP C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@H](C[NH3+])C3CCCC3)[C@@H]2C1 ZINC000333791404 710411349 /nfs/dbraw/zinc/41/13/49/710411349.db2.gz GGCBFLIJQNEOPF-RBSFLKMASA-N 2 0 294.443 1.240 10 0 CDAERP C[C@@H]([NH2+]C[C@@]1(C(F)(F)F)CCCN1)C1CC[NH+](C)CC1 ZINC000925854315 710434343 /nfs/dbraw/zinc/43/43/43/710434343.db2.gz DLCKKDWERRMOJE-DGCLKSJQSA-N 2 0 293.377 1.991 10 0 CDAERP C[N@H+](C[C@@H]1C[C@@H]2COC[C@H]2O1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000724579401 710437458 /nfs/dbraw/zinc/43/74/58/710437458.db2.gz SRVVKTQOIBTUQM-CXRDHPDISA-N 2 0 266.385 1.005 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1CCCOC1 ZINC000925782667 710439031 /nfs/dbraw/zinc/43/90/31/710439031.db2.gz MLKYRVCJFXXNMU-TUAOUCFPSA-N 2 0 262.344 1.636 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCOC[C@@H]2C(C)C)CC1 ZINC000924662318 710472534 /nfs/dbraw/zinc/47/25/34/710472534.db2.gz QOFXHBRSWAEYQZ-IAGOWNOFSA-N 2 0 297.487 1.665 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1COC2(CCCC2)O1 ZINC000925684178 710489580 /nfs/dbraw/zinc/48/95/80/710489580.db2.gz DYHKIESDQZSHAX-PEUVFPKISA-N 2 0 280.412 1.602 10 0 CDAERP Cc1nccn1CC[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000924870490 710519957 /nfs/dbraw/zinc/51/99/57/710519957.db2.gz ALHDHGYRKAQTFO-LSDHHAIUSA-N 2 0 262.401 1.798 10 0 CDAERP C[C@H]1CN(C[C@H]2CCC[N@@H+]2C)CCN1c1cc[nH+]cc1 ZINC000880259472 710536218 /nfs/dbraw/zinc/53/62/18/710536218.db2.gz UIDDKQZVFZYRJH-GOEBONIOSA-N 2 0 274.412 1.686 10 0 CDAERP C[NH+](C)[C@@]1(CNC2[C@@H]3CC[C@H]2C[N@@H+](C)C3)CCSC1 ZINC000925216553 710538780 /nfs/dbraw/zinc/53/87/80/710538780.db2.gz YDRXTNCWLHTWNF-IZGVIRRGSA-N 2 0 283.485 1.354 10 0 CDAERP C[C@H]([NH3+])CCC(=O)Nc1ccc(C[NH+](C)C)c(F)c1 ZINC000844189888 710559475 /nfs/dbraw/zinc/55/94/75/710559475.db2.gz UWPRPWRCCAXRHK-JTQLQIEISA-N 2 0 267.348 1.953 10 0 CDAERP CC[C@H]1CN(C(=O)CCC23CC(C2)C[NH2+]3)CC[C@@H]1[NH3+] ZINC000870939993 710619222 /nfs/dbraw/zinc/61/92/22/710619222.db2.gz GDKQCBHDCBXHLH-FMPXUHTOSA-N 2 0 265.401 1.104 10 0 CDAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CC[C@@H]1CCC[NH2+]C1)CC2 ZINC000923450161 710701061 /nfs/dbraw/zinc/70/10/61/710701061.db2.gz FRMCHNHESMRKAP-LSDHHAIUSA-N 3 0 281.444 1.206 10 0 CDAERP O[C@@H](C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)cn1 ZINC000818973366 710709411 /nfs/dbraw/zinc/70/94/11/710709411.db2.gz WSMNILGXAMNXKO-ABAIWWIYSA-N 2 0 279.359 1.328 10 0 CDAERP CC[N@H+](C)Cc1cccc(C[NH2+]C[C@H](O)CC(C)(C)O)c1 ZINC000872198849 710710587 /nfs/dbraw/zinc/71/05/87/710710587.db2.gz DWHVNDNSMRRLKH-MRXNPFEDSA-N 2 0 294.439 1.750 10 0 CDAERP COc1ccccc1NC(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000165316593 710713491 /nfs/dbraw/zinc/71/34/91/710713491.db2.gz NRHZKKORDKWBOW-CHWSQXEVSA-N 2 0 291.395 1.550 10 0 CDAERP C[C@@H]1C[N@H+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)CC[C@@H]1C[NH3+] ZINC000720895193 710726676 /nfs/dbraw/zinc/72/66/76/710726676.db2.gz XNDRNGLTNAPHKO-QKGCVVFFSA-N 2 0 252.402 1.861 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])C(C)C ZINC000261879879 710727916 /nfs/dbraw/zinc/72/79/16/710727916.db2.gz YZEROWBKRDHIKC-CHWSQXEVSA-N 2 0 255.406 1.208 10 0 CDAERP COC[C@H](C[N@@H+]1C[C@H](OC)C[C@@]1(C)C[NH3+])C(C)C ZINC000721912906 710801600 /nfs/dbraw/zinc/80/16/00/710801600.db2.gz FGTHLOLGPBSHGL-MJBXVCDLSA-N 2 0 258.406 1.343 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@@H](O)c2c(F)cccc2F)C1 ZINC000848675933 710806160 /nfs/dbraw/zinc/80/61/60/710806160.db2.gz FZYSTOFNOUYBPU-UHIISALHSA-N 2 0 284.350 1.928 10 0 CDAERP CC/C=C/CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875635783 710821182 /nfs/dbraw/zinc/82/11/82/710821182.db2.gz GXLBBVJAVHGFRZ-FHFZEBMASA-N 2 0 296.459 1.333 10 0 CDAERP C[C@H]1CN(C(=[NH2+])NCCC[NH+]2CCCCC2)CCO1 ZINC000848982584 710858834 /nfs/dbraw/zinc/85/88/34/710858834.db2.gz DPZNNBWISODVOZ-ZDUSSCGKSA-N 2 0 268.405 1.107 10 0 CDAERP Cc1nn(C)c(C)c1C[N@H+](C)CCCCCC[NH3+] ZINC000710729053 710863528 /nfs/dbraw/zinc/86/35/28/710863528.db2.gz GDIXJZQYAXMLTG-UHFFFAOYSA-N 2 0 252.406 1.988 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)C(C)(C)C[NH3+])C1 ZINC000870991706 710864892 /nfs/dbraw/zinc/86/48/92/710864892.db2.gz GRJUNDZXEYZILJ-CQSZACIVSA-N 2 0 255.406 1.195 10 0 CDAERP COC(=O)c1cc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)n(C)c1C ZINC000925768538 711371735 /nfs/dbraw/zinc/37/17/35/711371735.db2.gz KDYUMDYNFAOKMD-IAQYHMDHSA-N 2 0 293.411 1.598 10 0 CDAERP C[C@H]1C[C@H](N(C)C(=O)c2cccc(C[NH3+])c2)CC[N@@H+]1C ZINC000830351343 711378060 /nfs/dbraw/zinc/37/80/60/711378060.db2.gz PVCSSKRJHPWIJI-SWLSCSKDSA-N 2 0 275.396 1.700 10 0 CDAERP COc1ccccc1[C@H]1C[NH2+]CCN1CCC[NH2+]C1CC1 ZINC000923348793 711379126 /nfs/dbraw/zinc/37/91/26/711379126.db2.gz KUXOPKBERSGULV-MRXNPFEDSA-N 2 0 289.423 1.784 10 0 CDAERP [NH3+]Cc1cccc(C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])c1 ZINC000843506658 711442245 /nfs/dbraw/zinc/44/22/45/711442245.db2.gz DRFRXJXDYFPUTO-KRWDZBQOSA-N 2 0 295.386 1.844 10 0 CDAERP CC(C)(C)OC(=O)NCC1(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000838864003 711492343 /nfs/dbraw/zinc/49/23/43/711492343.db2.gz LDZBVGGKDHBDIH-BETUJISGSA-N 2 0 295.427 1.443 10 0 CDAERP C[NH+](C)CC(C)(C)CNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870853964 711504250 /nfs/dbraw/zinc/50/42/50/711504250.db2.gz JRIPGVRBLUBXQE-UHFFFAOYSA-N 2 0 267.417 1.223 10 0 CDAERP CC[C@@H]([NH2+]CCC[N@H+](C)CCOC)[C@@H]1CCCOC1 ZINC000872022521 711516014 /nfs/dbraw/zinc/51/60/14/711516014.db2.gz JHHCJGLNHNCHSG-HUUCEWRRSA-N 2 0 272.433 1.750 10 0 CDAERP [NH3+]CCCCCC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000841851459 711516215 /nfs/dbraw/zinc/51/62/15/711516215.db2.gz QHNHCYJVNPDEPV-UHFFFAOYSA-N 2 0 277.412 1.536 10 0 CDAERP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2COCC2(C)C)CC1 ZINC000313105959 711519839 /nfs/dbraw/zinc/51/98/39/711519839.db2.gz IWEFWFCZYCWIAG-CYBMUJFWSA-N 2 0 269.433 1.027 10 0 CDAERP COCC[N@@H+]1CCCN(C(=O)CCCCCC[NH3+])CC1 ZINC000037826860 711566949 /nfs/dbraw/zinc/56/69/49/711566949.db2.gz LROZNUIFBNDCEV-UHFFFAOYSA-N 2 0 285.432 1.076 10 0 CDAERP CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000122290028 711577603 /nfs/dbraw/zinc/57/76/03/711577603.db2.gz QJHHYZNCVYABSE-FRRDWIJNSA-N 2 0 255.406 1.064 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000870895090 711608272 /nfs/dbraw/zinc/60/82/72/711608272.db2.gz UZOKRECCICAJSJ-NYTXWWLZSA-N 2 0 279.428 1.304 10 0 CDAERP C[C@@H]1OCC[C@@H]1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872150659 711628554 /nfs/dbraw/zinc/62/85/54/711628554.db2.gz YPNXWIHJSPOWBA-LNFKQOIKSA-N 2 0 266.307 1.480 10 0 CDAERP CC[C@H](CN[C@@H]1CC[NH2+]C12CCC2)[NH+]1CCCC1 ZINC000925607258 711641571 /nfs/dbraw/zinc/64/15/71/711641571.db2.gz UAMMPZWSBVDIPI-ZIAGYGMSSA-N 2 0 251.418 1.735 10 0 CDAERP CC(C)[NH+](CCCNC(=[NH2+])N1CCO[C@@H](C)C1)C(C)C ZINC000849010923 711664799 /nfs/dbraw/zinc/66/47/99/711664799.db2.gz VZWNAHFITAIUDQ-AWEZNQCLSA-N 2 0 284.448 1.740 10 0 CDAERP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1cccc2c1OCCO2 ZINC000925874440 711668036 /nfs/dbraw/zinc/66/80/36/711668036.db2.gz JWJPTWVJTZAOCD-DZGCQCFKSA-N 2 0 290.407 1.978 10 0 CDAERP COc1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cn1 ZINC000857084003 711669663 /nfs/dbraw/zinc/66/96/63/711669663.db2.gz LAKZZFHDAKOPNQ-UHFFFAOYSA-N 2 0 261.369 1.666 10 0 CDAERP CC[NH+]1CCN([C@@H](C)CN[C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925549352 711673668 /nfs/dbraw/zinc/67/36/68/711673668.db2.gz XXJIMHIHBRIMBJ-JKSUJKDBSA-N 3 0 294.487 1.277 10 0 CDAERP c1cn(CCCC[NH2+][C@@H]2CC[NH2+]C23CCCC3)cn1 ZINC000925495570 711674066 /nfs/dbraw/zinc/67/40/66/711674066.db2.gz PVMQKQPQPKPEGP-CQSZACIVSA-N 3 0 262.401 1.928 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000868364732 711688488 /nfs/dbraw/zinc/68/84/88/711688488.db2.gz AYVQNNZXELDZOG-RDBSUJKOSA-N 2 0 282.432 1.062 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCCS1(=O)=O ZINC000714370996 711716792 /nfs/dbraw/zinc/71/67/92/711716792.db2.gz FMLWVEJWPKYGOC-RWMBFGLXSA-N 2 0 274.430 1.061 10 0 CDAERP C[C@@H]1[C@H](NC(=O)CCCC[NH+]2CCCC2)CC[N@@H+]1C ZINC000928444328 711739737 /nfs/dbraw/zinc/73/97/37/711739737.db2.gz KSVOTTHVFGKCFP-ZIAGYGMSSA-N 2 0 267.417 1.461 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]CCC[C@H]2CCOC2=O)C12CCC2 ZINC000925731099 711742208 /nfs/dbraw/zinc/74/22/08/711742208.db2.gz RVKPLHOZNSKZIM-TUAOUCFPSA-N 2 0 252.358 1.189 10 0 CDAERP COc1ccc(C[N@H+](C)C[C@@H]2CC3(C[NH2+]C3)CO2)cc1C ZINC000923312226 711768191 /nfs/dbraw/zinc/76/81/91/711768191.db2.gz ISBMVFPEYYZGIS-HNNXBMFYSA-N 2 0 290.407 1.814 10 0 CDAERP Cc1ccc(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)cn1 ZINC000923453807 711772859 /nfs/dbraw/zinc/77/28/59/711772859.db2.gz YZTXSDGLNYPWSN-OAHLLOKOSA-N 2 0 275.396 1.720 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000382625483 711782887 /nfs/dbraw/zinc/78/28/87/711782887.db2.gz HSMOFEMNEJOKAT-ILXRZTDVSA-N 2 0 251.418 1.402 10 0 CDAERP COc1ccc(C(C)C)cc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000923460256 711783767 /nfs/dbraw/zinc/78/37/67/711783767.db2.gz LUNQLXNOCYMUNL-UHFFFAOYSA-N 2 0 291.439 1.813 10 0 CDAERP CN(C[C@H]1CCC[N@@H+]1C)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000868391434 711787427 /nfs/dbraw/zinc/78/74/27/711787427.db2.gz KRAATFFYHDFGDY-GDBMZVCRSA-N 2 0 282.476 1.624 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870866482 711791119 /nfs/dbraw/zinc/79/11/19/711791119.db2.gz YJCKQTYVSIZFDE-HLIUYOAVSA-N 2 0 279.428 1.509 10 0 CDAERP C[C@H]1C[N@H+](CCOC2CCOCC2)CC[C@@H]1C[NH3+] ZINC000701371951 711798792 /nfs/dbraw/zinc/79/87/92/711798792.db2.gz QCTCDMMKUDHGFK-QWHCGFSZSA-N 2 0 256.390 1.099 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCC2(C)OCCO2)[C@H]2CCC[C@@H]21 ZINC000796940492 711799543 /nfs/dbraw/zinc/79/95/43/711799543.db2.gz UFVCYGZCQGVGJD-RDBSUJKOSA-N 2 0 268.401 1.602 10 0 CDAERP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cn(C)nc1Cl ZINC000856778040 711802033 /nfs/dbraw/zinc/80/20/33/711802033.db2.gz JLROCGXEABWGNQ-LBPRGKRZSA-N 2 0 299.850 1.189 10 0 CDAERP FC(F)(F)SCC[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000306078491 711803903 /nfs/dbraw/zinc/80/39/03/711803903.db2.gz BMRZHYSOMZWOFI-SNVBAGLBSA-N 2 0 283.363 1.219 10 0 CDAERP C[N@H+](CCC[NH2+]C[C@H](O)CC(C)(C)O)Cc1ccccc1 ZINC000872196565 711804908 /nfs/dbraw/zinc/80/49/08/711804908.db2.gz HVLMXSIILSUOCX-MRXNPFEDSA-N 2 0 294.439 1.620 10 0 CDAERP OCC[NH2+]C1CC[NH+](CC[C@@H]2C[C@H]2C2CC2)CC1 ZINC000714803999 711812059 /nfs/dbraw/zinc/81/20/59/711812059.db2.gz SHEBUYRKFNALAG-HIFRSBDPSA-N 2 0 252.402 1.469 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCCN3CCSC[C@@H]23)C1 ZINC000720492797 711826226 /nfs/dbraw/zinc/82/62/26/711826226.db2.gz DQWOXIXUMCSQTP-RFGFWPKPSA-N 2 0 269.458 1.426 10 0 CDAERP C(C[NH2+]C1CC1)CN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000923363942 711831706 /nfs/dbraw/zinc/83/17/06/711831706.db2.gz GEFURLLQMFOQPC-LSDHHAIUSA-N 2 0 251.418 1.735 10 0 CDAERP C[C@H]1[C@H](NC(=O)N2CC[NH+](C)C(C)(C)CC2)CC[N@@H+]1C ZINC000925345290 711834728 /nfs/dbraw/zinc/83/47/28/711834728.db2.gz PVUSQJVAGLXDDX-QWHCGFSZSA-N 2 0 282.432 1.205 10 0 CDAERP COc1ccccc1C1([NH2+]C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923384682 711834780 /nfs/dbraw/zinc/83/47/80/711834780.db2.gz KVMMAUIRYKRLCN-CYBMUJFWSA-N 2 0 288.391 1.652 10 0 CDAERP CC[C@@H]1CCN(C(=[NH2+])NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000864456454 711836264 /nfs/dbraw/zinc/83/62/64/711836264.db2.gz JEKHMIBUGBDLMO-MCIONIFRSA-N 2 0 280.416 1.106 10 0 CDAERP CC[N@@H+]1CC[C@H](CN[C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000925472267 711836456 /nfs/dbraw/zinc/83/64/56/711836456.db2.gz CUAXSPOKBBYTPP-KBXIAJHMSA-N 2 0 265.445 1.694 10 0 CDAERP CC(C)OC(=O)N1CCC([NH2+][C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000817912485 711837178 /nfs/dbraw/zinc/83/71/78/711837178.db2.gz PWQQVOJUDBZPNK-OCCSQVGLSA-N 2 0 283.416 1.713 10 0 CDAERP [NH3+]CCOCC[N@@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156303 711839111 /nfs/dbraw/zinc/83/91/11/711839111.db2.gz HMYDOSZROJVAKZ-GOEBONIOSA-N 3 0 283.460 1.581 10 0 CDAERP C[NH+](C)C1(C(=O)NCC2=CC[N@H+](C)CC2)CCCC1 ZINC001631540652 1166285563 /nfs/dbraw/zinc/28/55/63/1166285563.db2.gz DMEYJYHUBRNWST-UHFFFAOYSA-N 2 0 265.401 1.239 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[N@H+](C)CC1(C)C)[NH+](CC)CC ZINC001635649896 1166609088 /nfs/dbraw/zinc/60/90/88/1166609088.db2.gz SJEOIJIZOAWJBC-OLZOCXBDSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001571380370 1167594211 /nfs/dbraw/zinc/59/42/11/1167594211.db2.gz NEEKLOOBHJSOJE-KGLIPLIRSA-N 2 0 269.433 1.563 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CCCCCF ZINC001566102296 1168236293 /nfs/dbraw/zinc/23/62/93/1168236293.db2.gz QQDQKFXMGNVVFT-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)CCC[N@H+](C)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001566508504 1168315994 /nfs/dbraw/zinc/31/59/94/1168315994.db2.gz HFKKTGOHWNBXAR-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CC[N@H+](CCCNC(=O)C[NH+](C)CC(C)(C)C)C1CC1 ZINC001566596424 1168352219 /nfs/dbraw/zinc/35/22/19/1168352219.db2.gz GCFWQECSFQVCFC-UHFFFAOYSA-N 2 0 283.460 1.955 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001566802892 1168428257 /nfs/dbraw/zinc/42/82/57/1168428257.db2.gz HXPNHEXQBURIID-MGPQQGTHSA-N 2 0 269.433 1.610 10 0 CDAERP C[NH+](C)CC1(C(=O)N2CCC[C@H](C[NH2+]CCCF)C2)CC1 ZINC001566903919 1168461949 /nfs/dbraw/zinc/46/19/49/1168461949.db2.gz XUSZBXSPLWKAKO-CQSZACIVSA-N 2 0 299.434 1.516 10 0 CDAERP O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)C12CCC[NH+]1CCC2 ZINC001647330461 1168566486 /nfs/dbraw/zinc/56/64/86/1168566486.db2.gz PTBCZJCIMDSUIW-HNNXBMFYSA-N 2 0 291.439 1.748 10 0 CDAERP CC(C)[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CC[C@H](C)F ZINC001480865027 894157796 /nfs/dbraw/zinc/15/77/96/894157796.db2.gz YKZWEXHTDDZZEY-KBPBESRZSA-N 2 0 287.423 1.655 10 0 CDAERP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001266323123 894387250 /nfs/dbraw/zinc/38/72/50/894387250.db2.gz VHUXCCPRFNMYKE-CQSZACIVSA-N 2 0 297.443 1.088 10 0 CDAERP COCCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001266361752 894567867 /nfs/dbraw/zinc/56/78/67/894567867.db2.gz RIXUWLMWBCKYQP-OAHLLOKOSA-N 2 0 297.443 1.089 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(C)C)C1)[NH+](C)C ZINC001266725704 895923192 /nfs/dbraw/zinc/92/31/92/895923192.db2.gz QIYJGXCEULLUOG-XQQFMLRXSA-N 2 0 255.406 1.219 10 0 CDAERP CC[C@@H](C(=O)N(C)CC[NH2+]CCC(C)(C)C)[NH+](C)C ZINC001266836181 896156735 /nfs/dbraw/zinc/15/67/35/896156735.db2.gz HZZHHGCPWXQCHY-ZDUSSCGKSA-N 2 0 271.449 1.811 10 0 CDAERP CCC[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001266860129 896217170 /nfs/dbraw/zinc/21/71/70/896217170.db2.gz YDNFJPYQRQWDBN-AWEZNQCLSA-N 2 0 267.417 1.463 10 0 CDAERP Cc1nccn1CCC[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000699625123 914050029 /nfs/dbraw/zinc/05/00/29/914050029.db2.gz VLGWHNJSFIWMOJ-GXTWGEPZSA-N 2 0 250.390 1.498 10 0 CDAERP CCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001267006702 896539226 /nfs/dbraw/zinc/53/92/26/896539226.db2.gz QMSBNOFLRQJHBT-KBPBESRZSA-N 2 0 267.417 1.461 10 0 CDAERP CC(C)=CC[N@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001267275536 897444017 /nfs/dbraw/zinc/44/40/17/897444017.db2.gz XJKUGAWMUYCLKY-AWEZNQCLSA-N 2 0 267.417 1.485 10 0 CDAERP CC/C=C/CC[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001267391984 897851325 /nfs/dbraw/zinc/85/13/25/897851325.db2.gz YADBGYPMCKODIA-LLYBFZRZSA-N 2 0 281.444 1.875 10 0 CDAERP CCCC[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001267392042 897851945 /nfs/dbraw/zinc/85/19/45/897851945.db2.gz ZURYAVUKHZCWHZ-CYBMUJFWSA-N 2 0 255.406 1.319 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)CC[NH2+]Cc1ccccc1 ZINC001267451324 897918603 /nfs/dbraw/zinc/91/86/03/897918603.db2.gz CTLFALWQABLNPB-UHFFFAOYSA-N 2 0 277.412 1.576 10 0 CDAERP C[N@H+](CC(=O)N[C@H]1CC[NH+](CCCCCF)C1)C1CCC1 ZINC001267726014 899400719 /nfs/dbraw/zinc/40/07/19/899400719.db2.gz NBERRZOZZMRPQA-AWEZNQCLSA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](CC2CC2)C1 ZINC001267779880 899709757 /nfs/dbraw/zinc/70/97/57/899709757.db2.gz XJQXXKWXOXTTBQ-CQSZACIVSA-N 2 0 267.417 1.269 10 0 CDAERP CC[C@@H](C(=O)N(C)CC[NH2+]C/C=C/Cl)[NH+](C)C ZINC001481304058 900280769 /nfs/dbraw/zinc/28/07/69/900280769.db2.gz HHGSCOSEKUIQPS-MLRMMBSGSA-N 2 0 261.797 1.127 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC[C@H](C)F ZINC001481681776 901784329 /nfs/dbraw/zinc/78/43/29/901784329.db2.gz MMGGWJWZWLJWSK-IHRRRGAJSA-N 2 0 285.407 1.361 10 0 CDAERP CC[C@H](C[NH2+]CC[C@H](C)NC(=O)C1CC[NH+](C)CC1)OC ZINC001268396385 901994088 /nfs/dbraw/zinc/99/40/88/901994088.db2.gz IUDWGMJWGYLWEY-DZGCQCFKSA-N 2 0 299.459 1.238 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(CC)CC[NH2+]CCCF)CC[N@@H+]1C ZINC001268452159 902102621 /nfs/dbraw/zinc/10/26/21/902102621.db2.gz XCUPUABQCWQWQL-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP CC[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC[C@H](C)F ZINC001481817790 902168138 /nfs/dbraw/zinc/16/81/38/902168138.db2.gz ATECGKSHXXBMCF-QWHCGFSZSA-N 2 0 287.423 1.703 10 0 CDAERP CO[C@H](C)C[NH2+]CC1(NC(=O)C[N@H+](C)C(C)C)CCCC1 ZINC001481912529 902305969 /nfs/dbraw/zinc/30/59/69/902305969.db2.gz DEATUZZCSNELEX-CQSZACIVSA-N 2 0 299.459 1.380 10 0 CDAERP CC[C@@H](C(=O)N(CC)CC[NH2+]Cc1cnc(C)o1)[NH+](C)C ZINC001268492417 902373415 /nfs/dbraw/zinc/37/34/15/902373415.db2.gz DWIATPPNCZTSOQ-AWEZNQCLSA-N 2 0 296.415 1.261 10 0 CDAERP CC(C)OCC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268540834 902535996 /nfs/dbraw/zinc/53/59/96/902535996.db2.gz AMZOAACAGYSDLS-JBZXTQMFSA-N 2 0 297.443 1.014 10 0 CDAERP CCCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCc2nccn2C1 ZINC001268559177 902562391 /nfs/dbraw/zinc/56/23/91/902562391.db2.gz BSGAHRUTTBRGDQ-ZRUQZJFASA-N 2 0 290.411 1.508 10 0 CDAERP CCCCC[NH+]1CC(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001268883655 903203690 /nfs/dbraw/zinc/20/36/90/903203690.db2.gz SNAUNUGRVACBAT-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@H](C[NH2+]CCF)N(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001482291483 904665988 /nfs/dbraw/zinc/66/59/88/904665988.db2.gz GIOZIIVVQRQDCA-HIFRSBDPSA-N 2 0 299.434 1.799 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)[C@@H](C(C)(C)C)C2)C1 ZINC001363695919 904666763 /nfs/dbraw/zinc/66/67/63/904666763.db2.gz HAQVCZFSKQYYKO-ZIAGYGMSSA-N 2 0 281.444 1.517 10 0 CDAERP CC(C)=CC[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001270655520 904892711 /nfs/dbraw/zinc/89/27/11/904892711.db2.gz CYTKSEDAEJTQKX-INIZCTEOSA-N 2 0 279.428 1.629 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C(C)C)CC1(C)C ZINC001422785078 905144211 /nfs/dbraw/zinc/14/42/11/905144211.db2.gz CVKBPJDDEKZQIM-CQSZACIVSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]CC1CC1 ZINC001482427731 905364128 /nfs/dbraw/zinc/36/41/28/905364128.db2.gz CHXOCVGKEBKLBY-OCCSQVGLSA-N 2 0 267.417 1.175 10 0 CDAERP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](C)CN2CCOCC2)C1 ZINC001364363068 905585922 /nfs/dbraw/zinc/58/59/22/905585922.db2.gz PVZGGICGHSKGLM-IRXDYDNUSA-N 2 0 297.487 1.618 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001271710644 906611958 /nfs/dbraw/zinc/61/19/58/906611958.db2.gz BMUCQLLIPGOGDZ-HOTGVXAUSA-N 2 0 295.471 1.812 10 0 CDAERP CC[C@H](C)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001423398338 907238578 /nfs/dbraw/zinc/23/85/78/907238578.db2.gz HIWRKRDPCHNPCA-UONOGXRCSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@H](CC[NH2+]Cc1ccccn1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482899957 908467019 /nfs/dbraw/zinc/46/70/19/908467019.db2.gz ZKDSEJAZKAEJFN-ZIAGYGMSSA-N 2 0 290.411 1.018 10 0 CDAERP CCN(CC[NH2+]CCCC(C)C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001482913559 908488426 /nfs/dbraw/zinc/48/84/26/908488426.db2.gz AJAQVICOHMVECQ-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001482945825 908527115 /nfs/dbraw/zinc/52/71/15/908527115.db2.gz YASWNZCVHJLZPT-HNNXBMFYSA-N 2 0 283.460 1.957 10 0 CDAERP CCCC[NH2+]CC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001273019530 921571162 /nfs/dbraw/zinc/57/11/62/921571162.db2.gz XEKUETISFYGNIT-KBPBESRZSA-N 2 0 269.433 1.613 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001483286239 910791862 /nfs/dbraw/zinc/79/18/62/910791862.db2.gz MWPBWGWYZRIYFC-KBPBESRZSA-N 2 0 271.449 1.713 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]C/C=C/Cl ZINC001483297003 910808979 /nfs/dbraw/zinc/80/89/79/910808979.db2.gz UUWIKKPAYANBPM-KELULYIISA-N 2 0 287.835 1.708 10 0 CDAERP CCC[C@@H](O)C[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001434509189 921632766 /nfs/dbraw/zinc/63/27/66/921632766.db2.gz OIVLEQGIWYBSJD-OAHLLOKOSA-N 2 0 284.444 1.460 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]CCF)CCN1C(=O)CCCC[NH+](C)C ZINC001483915844 915188135 /nfs/dbraw/zinc/18/81/35/915188135.db2.gz IOPGKYOBFPHSCF-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)[NH+]1CCC(C)(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001484144290 915460846 /nfs/dbraw/zinc/46/08/46/915460846.db2.gz DOGQWJAKFZBQEO-UHFFFAOYSA-N 2 0 293.455 1.709 10 0 CDAERP CCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCO1 ZINC001280567658 915592506 /nfs/dbraw/zinc/59/25/06/915592506.db2.gz RZAPLDZXLRKHNV-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[NH+](CC)C2 ZINC001484321798 915617838 /nfs/dbraw/zinc/61/78/38/915617838.db2.gz UNQWYHUWUQHHLQ-KKUMJFAQSA-N 2 0 281.444 1.707 10 0 CDAERP Cc1cc(C)c(CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)cn1 ZINC000922779668 921804921 /nfs/dbraw/zinc/80/49/21/921804921.db2.gz YLMINGCUGIFJQA-TZMCWYRMSA-N 2 0 276.384 1.590 10 0 CDAERP CC(C)C[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001484926974 916272769 /nfs/dbraw/zinc/27/27/69/916272769.db2.gz FDCCFBOEVVENQF-AWEZNQCLSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1C/C=C\Cl ZINC001484980523 916356411 /nfs/dbraw/zinc/35/64/11/916356411.db2.gz HCHYFBWHPCAOIX-PWNWJAOYSA-N 2 0 287.835 1.660 10 0 CDAERP CCC[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001485091955 916502825 /nfs/dbraw/zinc/50/28/25/916502825.db2.gz IINXHSZSQOUBAS-NRXISQOPSA-N 2 0 281.444 1.754 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H](C)[NH2+]CC(C)C ZINC001485209221 916673691 /nfs/dbraw/zinc/67/36/91/916673691.db2.gz VAQFUWRFBONBQJ-STQMWFEESA-N 2 0 257.422 1.467 10 0 CDAERP CC(C)[NH2+][C@@H](C)[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001485211700 916677458 /nfs/dbraw/zinc/67/74/58/916677458.db2.gz IYUOZNQIUBNARN-UONOGXRCSA-N 2 0 295.471 2.000 10 0 CDAERP C[C@H](CCC[NH2+]C/C=C\Cl)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001485714710 917210177 /nfs/dbraw/zinc/21/01/77/917210177.db2.gz LJHRKVVYRLZTNL-ODBCZPJSSA-N 2 0 287.835 1.708 10 0 CDAERP CC[NH2+][C@H](CCNC(=O)C[NH+]1CCCC1)C(C)C ZINC001485793159 917297693 /nfs/dbraw/zinc/29/76/93/917297693.db2.gz WHOVCTPSLJJDFY-CYBMUJFWSA-N 2 0 255.406 1.223 10 0 CDAERP CC(C)=CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001272784433 919272643 /nfs/dbraw/zinc/27/26/43/919272643.db2.gz UMMGIFLYEZDHLK-RBSFLKMASA-N 2 0 281.444 1.777 10 0 CDAERP CCOCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001486134606 920742152 /nfs/dbraw/zinc/74/21/52/920742152.db2.gz LXENWBYFQMQADG-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP COCCC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001486424930 920994637 /nfs/dbraw/zinc/99/46/37/920994637.db2.gz YAVTWASJXRIKPG-KBPBESRZSA-N 2 0 299.459 1.095 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@H]1CCC[N@H+](CC2CCC2)C1 ZINC001491129790 936860911 /nfs/dbraw/zinc/86/09/11/936860911.db2.gz JDOVYXQYNVMSMA-MRXNPFEDSA-N 2 0 293.455 1.711 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001491172209 936869735 /nfs/dbraw/zinc/86/97/35/936869735.db2.gz BYJLLKQFYKVQFI-CVEARBPZSA-N 2 0 295.471 1.812 10 0 CDAERP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2CCOCCO)CC1 ZINC001196934769 925011669 /nfs/dbraw/zinc/01/16/69/925011669.db2.gz CWSWIYCKOQMXFK-INIZCTEOSA-N 2 0 284.444 1.582 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001488828253 926713497 /nfs/dbraw/zinc/71/34/97/926713497.db2.gz JQWWUNVOKHVLPO-KJWHEZOQSA-N 2 0 299.434 1.559 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC[N@@H+]1CCCF ZINC001489268948 926848194 /nfs/dbraw/zinc/84/81/94/926848194.db2.gz CMZFEZCYZUUOOO-ILXRZTDVSA-N 2 0 299.434 1.799 10 0 CDAERP CC[N@H+](C)CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001490281509 927081619 /nfs/dbraw/zinc/08/16/19/927081619.db2.gz LESNVWKIEAGRRE-CQSZACIVSA-N 2 0 269.433 1.565 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NCCC[NH+](C/C=C\Cl)C2CC2)C1 ZINC001490394473 927148301 /nfs/dbraw/zinc/14/83/01/927148301.db2.gz VYRBZFNYIASIIL-MDVHNNDNSA-N 2 0 299.846 1.661 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000852854755 927895383 /nfs/dbraw/zinc/89/53/83/927895383.db2.gz OOIPVLWCMPIOTE-KRWDZBQOSA-N 2 0 299.418 1.687 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC1CC1 ZINC001274154881 931206461 /nfs/dbraw/zinc/20/64/61/931206461.db2.gz XNVVAQAJTBMTGV-MJSXRHKHSA-N 2 0 293.455 1.779 10 0 CDAERP C[C@@H]1[C@H](C(=O)NC2CC(C[NH2+]CCCF)C2)CC[N@@H+]1C ZINC001275233029 931707421 /nfs/dbraw/zinc/70/74/21/931707421.db2.gz LCIRBWMDNYTETL-BLYZHGLHSA-N 2 0 285.407 1.171 10 0 CDAERP CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+](C(C)C)C2)C1 ZINC001411664088 931948039 /nfs/dbraw/zinc/94/80/39/931948039.db2.gz CUFDHGLZWYFVHF-GJZGRUSLSA-N 2 0 281.444 1.565 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2CC[N@H+](C)C(C)(C)C2)C1 ZINC001412041848 932230218 /nfs/dbraw/zinc/23/02/18/932230218.db2.gz JEVFBERALGREQW-KGLIPLIRSA-N 2 0 281.444 1.659 10 0 CDAERP CC[C@H](C(=O)N(C)CCC[NH2+]Cc1nocc1C)[NH+](C)C ZINC001276071752 932491813 /nfs/dbraw/zinc/49/18/13/932491813.db2.gz TVMBHNQVKCINMG-CQSZACIVSA-N 2 0 296.415 1.261 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001412922086 935092952 /nfs/dbraw/zinc/09/29/52/935092952.db2.gz SIWMDRCCHSAUKE-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001493210151 935566776 /nfs/dbraw/zinc/56/67/76/935566776.db2.gz GZVPTCYSSRETJV-CABCVRRESA-N 2 0 295.471 1.955 10 0 CDAERP CN(CCC[NH2+]Cc1cncs1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001276379511 936223156 /nfs/dbraw/zinc/22/31/56/936223156.db2.gz IABHDSIFORXLOH-LBPRGKRZSA-N 2 0 296.440 1.033 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001276590428 940393379 /nfs/dbraw/zinc/39/33/79/940393379.db2.gz XBTYFSPPONPZQU-FVQBIDKESA-N 2 0 293.455 1.777 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)CCCCCF ZINC001329613032 940633709 /nfs/dbraw/zinc/63/37/09/940633709.db2.gz LCNZLHKJXBUNDH-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)(C)NC(=O)CC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405212727 940974290 /nfs/dbraw/zinc/97/42/90/940974290.db2.gz DLZALVSCZLIFNH-GHMZBOCLSA-N 2 0 253.390 1.151 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CCCC1 ZINC001362058361 970829020 /nfs/dbraw/zinc/82/90/20/970829020.db2.gz LDBXLTGQJGKVLK-KBPBESRZSA-N 2 0 279.428 1.604 10 0 CDAERP CC[C@H](C(=O)NCC1=CC[N@H+](CC)CC1)[NH+](C)C ZINC001279581282 942396230 /nfs/dbraw/zinc/39/62/30/942396230.db2.gz BFJZFLSTENRQAY-CYBMUJFWSA-N 2 0 253.390 1.095 10 0 CDAERP CCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001281484579 942584330 /nfs/dbraw/zinc/58/43/30/942584330.db2.gz FDRGKHNQBIZYKL-ZDUSSCGKSA-N 2 0 267.417 1.461 10 0 CDAERP C[C@@H](CN(C)C(=O)C1([NH+](C)C)CCC1)[NH2+]CCCF ZINC001283621067 942951351 /nfs/dbraw/zinc/95/13/51/942951351.db2.gz HPZRPOBEDNKMQD-LBPRGKRZSA-N 2 0 273.396 1.267 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH+]1CC[C@@H](F)C1 ZINC001362150319 970948576 /nfs/dbraw/zinc/94/85/76/970948576.db2.gz ZOPNPZMPRDFZID-ZIAGYGMSSA-N 2 0 285.407 1.411 10 0 CDAERP COCCC[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001283655754 942960392 /nfs/dbraw/zinc/96/03/92/942960392.db2.gz ZEGRGBSEYPLBOT-AWEZNQCLSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)[NH2+][C@@H](C)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001283702194 942973602 /nfs/dbraw/zinc/97/36/02/942973602.db2.gz JHCURORAEWHXQX-QWHCGFSZSA-N 2 0 255.406 1.173 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)[C@H]1CCC[NH+](C(C)C)C1 ZINC001362175854 970979493 /nfs/dbraw/zinc/97/94/93/970979493.db2.gz GMRZXOWJMHNYKG-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CCCF)CCN1C(=O)CCc1c[nH]cn1 ZINC001277749033 943466517 /nfs/dbraw/zinc/46/65/17/943466517.db2.gz UUGABHJHUATTTQ-CHWSQXEVSA-N 2 0 296.390 1.671 10 0 CDAERP CCC[NH2+][C@H]1C[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001263849280 944001809 /nfs/dbraw/zinc/00/18/09/944001809.db2.gz CNBSRVRYWLHLAW-MCIONIFRSA-N 2 0 267.417 1.223 10 0 CDAERP CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]C(C)C)C1)[NH+](C)C ZINC001264487029 944141975 /nfs/dbraw/zinc/14/19/75/944141975.db2.gz OYBZLXYBFSVSFJ-MJBXVCDLSA-N 2 0 269.433 1.610 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)[C@H](C)CC[NH+](C)C)CC1 ZINC001362246195 971068036 /nfs/dbraw/zinc/06/80/36/971068036.db2.gz YMFPZOYOQUAFHU-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CCC1CC1 ZINC001265824451 944525530 /nfs/dbraw/zinc/52/55/30/944525530.db2.gz WTRPZHWCXSGGSZ-QWHCGFSZSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]CCC[C@H](C)O ZINC001278007469 944561908 /nfs/dbraw/zinc/56/19/08/944561908.db2.gz VXDNHTMIYRWFAS-LSDHHAIUSA-N 2 0 299.459 1.068 10 0 CDAERP C[C@@H](C(=O)NCCC[N@H+](C)CCCO)[NH+]1CCCCCC1 ZINC001265933368 944581740 /nfs/dbraw/zinc/58/17/40/944581740.db2.gz KUGKWABXKPGSAB-HNNXBMFYSA-N 2 0 299.459 1.071 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001266029135 944642264 /nfs/dbraw/zinc/64/22/64/944642264.db2.gz KYOQKZKHSJWCCR-GJZGRUSLSA-N 2 0 283.460 1.811 10 0 CDAERP CC[N@H+](CCCNC(=O)C1([NH+](C)C)CCC1)CC1CC1 ZINC001266049275 944655674 /nfs/dbraw/zinc/65/56/74/944655674.db2.gz OELBSLUPABFYMI-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@H](F)C[N@H+](C)C[C@H](C)NC(=O)C[NH+](C)C(C)C ZINC001498457474 973896905 /nfs/dbraw/zinc/89/69/05/973896905.db2.gz RPNHSMBWIWIVMH-STQMWFEESA-N 2 0 275.412 1.511 10 0 CDAERP [NH3+]CC[C@@H]1CCCN(C(=O)[C@H]2CCCC[C@@H]2[NH3+])C1 ZINC001261493385 946141704 /nfs/dbraw/zinc/14/17/04/946141704.db2.gz YPAPQLCVNRWSLB-AVGNSLFASA-N 2 0 253.390 1.091 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001479264233 971279704 /nfs/dbraw/zinc/27/97/04/971279704.db2.gz JVPRDFXWNNBVKX-HZPDHXFCSA-N 2 0 295.471 1.907 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCCF)C1 ZINC001479298026 971293339 /nfs/dbraw/zinc/29/33/39/971293339.db2.gz HLMXIJHJADOLQV-ZNMIVQPWSA-N 2 0 299.434 1.705 10 0 CDAERP CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCC[NH+](C(C)C)C1 ZINC001362486687 971328736 /nfs/dbraw/zinc/32/87/36/971328736.db2.gz LCKNCKOJSXDDBS-HUUCEWRRSA-N 2 0 281.444 1.659 10 0 CDAERP CCCC[N@H+](C)CCCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001479796765 971423379 /nfs/dbraw/zinc/42/33/79/971423379.db2.gz MJYIUWLLWGQDDC-AWEZNQCLSA-N 2 0 269.433 1.566 10 0 CDAERP C[C@H](O)C[N@H+](C)CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001479800603 971425881 /nfs/dbraw/zinc/42/58/81/971425881.db2.gz PTWMFLYUNBFXFR-GJZGRUSLSA-N 2 0 299.459 1.070 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)CC(C)C ZINC001479838766 971446910 /nfs/dbraw/zinc/44/69/10/971446910.db2.gz GCUHXSQAQXYFSK-CQSZACIVSA-N 2 0 269.433 1.565 10 0 CDAERP CC[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)CCC1CC1 ZINC001479859539 971457641 /nfs/dbraw/zinc/45/76/41/971457641.db2.gz HXFIEEYWUXQGMC-UHFFFAOYSA-N 2 0 293.455 1.711 10 0 CDAERP Cc1cn(C)nc1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000723956082 948431820 /nfs/dbraw/zinc/43/18/20/948431820.db2.gz YHSTWWRQHXZWBG-UHFFFAOYSA-N 2 0 250.390 1.550 10 0 CDAERP CCC1([NH2+]CCOC)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001281050095 948759122 /nfs/dbraw/zinc/75/91/22/948759122.db2.gz VJHKPQSMTQTPLG-UHFFFAOYSA-N 2 0 297.443 1.089 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001479955767 971506279 /nfs/dbraw/zinc/50/62/79/971506279.db2.gz FBKZBNIZALGGIC-KBPBESRZSA-N 2 0 267.417 1.461 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001480155021 971605608 /nfs/dbraw/zinc/60/56/08/971605608.db2.gz GGQLTLUYXAQKDE-HDJSIYSDSA-N 2 0 279.428 1.531 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001480225175 971636477 /nfs/dbraw/zinc/63/64/77/971636477.db2.gz ZYVXQJOYUSFSJV-MCIONIFRSA-N 2 0 267.417 1.365 10 0 CDAERP CC[N@@H+]1CC[C@H]1C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC001362822330 971644856 /nfs/dbraw/zinc/64/48/56/971644856.db2.gz FOXLPRLBARVMRZ-CABCVRRESA-N 2 0 279.428 1.271 10 0 CDAERP Cc1ncsc1C[NH2+][C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001480597360 971799871 /nfs/dbraw/zinc/79/98/71/971799871.db2.gz PROOWEXKQXIHFO-LLVKDONJSA-N 2 0 298.456 1.386 10 0 CDAERP CC(C)[C@H](C(=O)N1CC[C@H](C[NH2+]CCC2CC2)C1)[NH+](C)C ZINC001480663214 971829184 /nfs/dbraw/zinc/82/91/84/971829184.db2.gz GAPNIIDPFPCXQK-HZPDHXFCSA-N 2 0 295.471 1.811 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CCC(C)(C)C ZINC001480849081 971915048 /nfs/dbraw/zinc/91/50/48/971915048.db2.gz MKNLCOMUNOMKCV-CYBMUJFWSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)N2CC[C@@H]([NH+]3CCC3)C2)CC1 ZINC001363519881 953406664 /nfs/dbraw/zinc/40/66/64/953406664.db2.gz AEKANOJKQUCKAO-MRXNPFEDSA-N 2 0 293.455 1.661 10 0 CDAERP CC[N@@H+]1C[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[NH+]32)C(C)(C)C1 ZINC001363651229 953606228 /nfs/dbraw/zinc/60/62/28/953606228.db2.gz JYGIUAYTYITECG-KFWWJZLASA-N 2 0 293.455 1.850 10 0 CDAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CCOCC1CC1)CC2 ZINC001333530481 953943557 /nfs/dbraw/zinc/94/35/57/953943557.db2.gz XURRMISBBQOOBP-AWEZNQCLSA-N 2 0 268.401 1.243 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CCC[C@H]2C[N@H+](CCF)C[C@H]21 ZINC001325955431 954158045 /nfs/dbraw/zinc/15/80/45/954158045.db2.gz LLHJSQCOEPFVOK-LSDHHAIUSA-N 2 0 299.434 1.611 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCCC[C@H]2[NH3+])CC[N@@H+]1C ZINC001326373522 954344760 /nfs/dbraw/zinc/34/47/60/954344760.db2.gz XEYAEKGLAXAMPU-AAVRWANBSA-N 2 0 267.417 1.445 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CC[C@H](CC[NH2+]CCC2CC2)C1 ZINC001326432498 954379087 /nfs/dbraw/zinc/37/90/87/954379087.db2.gz TZIJDQMONAKKDC-INIZCTEOSA-N 2 0 293.455 1.711 10 0 CDAERP CCCC[NH2+][C@]1(CO)CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001327604158 954958699 /nfs/dbraw/zinc/95/86/99/954958699.db2.gz SSJFYJLRJDWZSX-GOEBONIOSA-N 2 0 299.459 1.070 10 0 CDAERP CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001491792568 955431415 /nfs/dbraw/zinc/43/14/15/955431415.db2.gz WNHAEWXBOHKOTN-SWJNODNISA-N 2 0 293.455 1.875 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CCCF)C1 ZINC001328861281 955520602 /nfs/dbraw/zinc/52/06/02/955520602.db2.gz OAVOCLDWLMLKMJ-NRXISQOPSA-N 2 0 299.434 1.705 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]CCF)C1 ZINC001328927093 955558068 /nfs/dbraw/zinc/55/80/68/955558068.db2.gz CAESGEXOAJMUCS-YMAMQOFZSA-N 2 0 299.434 1.703 10 0 CDAERP CC[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CCCC1 ZINC001421844944 955590140 /nfs/dbraw/zinc/59/01/40/955590140.db2.gz JENVZLHNIHSKFO-CQSZACIVSA-N 2 0 281.444 1.899 10 0 CDAERP CN(CC[NH2+]Cc1ccsc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001493793971 972115666 /nfs/dbraw/zinc/11/56/66/972115666.db2.gz QATNXUPNOPDBRT-CYBMUJFWSA-N 2 0 281.425 1.248 10 0 CDAERP CC[NH2+]C1(CC)CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001422027836 955706203 /nfs/dbraw/zinc/70/62/03/955706203.db2.gz FUQCEYUHJSSKQM-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CN(C(=O)C[NH+]1CCCC1)C1CCC([NH2+]CCCF)CC1 ZINC001329256792 955782434 /nfs/dbraw/zinc/78/24/34/955782434.db2.gz OTVHSGBMGKCGLK-UHFFFAOYSA-N 2 0 299.434 1.801 10 0 CDAERP C[C@@H](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CCF ZINC001422167200 955807920 /nfs/dbraw/zinc/80/79/20/955807920.db2.gz YKWUJFKKMGMNAG-KBPBESRZSA-N 2 0 287.423 1.705 10 0 CDAERP COC[C@@H](C)[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001422242229 955882839 /nfs/dbraw/zinc/88/28/39/955882839.db2.gz HNNGIOXXGMNKAW-HUUCEWRRSA-N 2 0 297.443 1.040 10 0 CDAERP CCN(CC[NH2+][C@H](C)COC)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001422451129 956016006 /nfs/dbraw/zinc/01/60/06/956016006.db2.gz VSQVRVBRYQKBBA-CQSZACIVSA-N 2 0 299.459 1.334 10 0 CDAERP CCCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](C(C)C)C1 ZINC001493976771 972150458 /nfs/dbraw/zinc/15/04/58/972150458.db2.gz HISPEQGGBWQVGG-CABCVRRESA-N 2 0 281.444 1.659 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1cnc(C)s1 ZINC001422584229 956172800 /nfs/dbraw/zinc/17/28/00/956172800.db2.gz FCHBLWAMBDWHPU-LLVKDONJSA-N 2 0 298.456 1.388 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[NH+](CC2CCC2)CC1(C)C ZINC001422794854 956364306 /nfs/dbraw/zinc/36/43/06/956364306.db2.gz WXOJNZAMXDLANM-HNNXBMFYSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001422851739 956405755 /nfs/dbraw/zinc/40/57/55/956405755.db2.gz VWEGHAVIPXHOHA-PHZGNYQRSA-N 2 0 293.455 1.421 10 0 CDAERP CC(C)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001422873748 956416415 /nfs/dbraw/zinc/41/64/15/956416415.db2.gz PQONOQABPHISIN-ILXRZTDVSA-N 2 0 283.460 1.809 10 0 CDAERP C[C@H](C[N@H+](C)CC1CCCC1)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001422881270 956420433 /nfs/dbraw/zinc/42/04/33/956420433.db2.gz WNMYEXKAUTURQT-LSDHHAIUSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC2CCC2)[C@@H]1C ZINC001365899468 956432711 /nfs/dbraw/zinc/43/27/11/956432711.db2.gz PMYRHCRVQPNRLD-HIFRSBDPSA-N 2 0 281.444 1.706 10 0 CDAERP C[C@@H](F)CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001422936376 956461930 /nfs/dbraw/zinc/46/19/30/956461930.db2.gz VWTXWJGLTAZKRA-HIFRSBDPSA-N 2 0 299.434 1.752 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001366117531 956578259 /nfs/dbraw/zinc/57/82/59/956578259.db2.gz AEBIAPPRQHJRCH-YTFOTSKYSA-N 2 0 299.434 1.702 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001366149616 956603707 /nfs/dbraw/zinc/60/37/07/956603707.db2.gz KXUSSJZLSOYHNQ-RWMBFGLXSA-N 2 0 285.407 1.456 10 0 CDAERP CC(C)[N@@H+]1CC[C@H]1CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001423119692 956605274 /nfs/dbraw/zinc/60/52/74/956605274.db2.gz AWEQDNJMNKOGRS-BBRMVZONSA-N 2 0 299.434 1.798 10 0 CDAERP CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]21 ZINC001423354988 956735446 /nfs/dbraw/zinc/73/54/46/956735446.db2.gz GKURJTZWUKQCHL-RBSFLKMASA-N 2 0 293.455 1.565 10 0 CDAERP CCC[NH2+]CCC[C@@H](C)NC(=O)Cn1ccnc1C ZINC001330977293 956738823 /nfs/dbraw/zinc/73/88/23/956738823.db2.gz QRIBWWKFCAFAQX-GFCCVEGCSA-N 2 0 266.389 1.476 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CCC1CC1 ZINC001366365766 956774078 /nfs/dbraw/zinc/77/40/78/956774078.db2.gz KXNCEGDSMBYLIL-DZGCQCFKSA-N 2 0 281.444 1.755 10 0 CDAERP Cc1ncc(C[NH2+][C@@H](C)CCNC(=O)[C@H]2CCC[N@@H+]2C)o1 ZINC001366454092 956844555 /nfs/dbraw/zinc/84/45/55/956844555.db2.gz QRRLOMQSPKTDDV-SMDDNHRTSA-N 2 0 294.399 1.062 10 0 CDAERP CC[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)CCC(C)C ZINC001316908060 956882255 /nfs/dbraw/zinc/88/22/55/956882255.db2.gz VCQBRQMKAHOFJI-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C)C1CC[NH+](CCF)CC1)[NH+](C)C ZINC001423642498 956916641 /nfs/dbraw/zinc/91/66/41/956916641.db2.gz BJUNWAWLWOHHSV-OCCSQVGLSA-N 2 0 287.423 1.513 10 0 CDAERP CC[C@@H](C(=O)NC[C@H]([NH2+]CC=C(C)C)C1CC1)[NH+](C)C ZINC001317030500 956931838 /nfs/dbraw/zinc/93/18/38/956931838.db2.gz OTDKWYCSVOSQJV-GJZGRUSLSA-N 2 0 281.444 1.777 10 0 CDAERP C[NH+](C)C1(C(=O)NCC[N@@H+](C)CC2CC(C)(C)C2)CCC1 ZINC001366534442 956934389 /nfs/dbraw/zinc/93/43/89/956934389.db2.gz CBTKEZXDVGKVED-UHFFFAOYSA-N 2 0 295.471 1.955 10 0 CDAERP COCCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001316881258 957087730 /nfs/dbraw/zinc/08/77/30/957087730.db2.gz UMJJRHPULKYLJP-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP CC[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCC1)C[C@H](C)O ZINC001316896330 957104300 /nfs/dbraw/zinc/10/43/00/957104300.db2.gz HKOFBXFHEXLCBZ-AWEZNQCLSA-N 2 0 299.459 1.070 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1CC[N@H+](CC)C1 ZINC001366693179 957116900 /nfs/dbraw/zinc/11/69/00/957116900.db2.gz YGLVHCVRJCVZRE-QWHCGFSZSA-N 2 0 273.396 1.124 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC=C(C)C)C1 ZINC001316953061 957149836 /nfs/dbraw/zinc/14/98/36/957149836.db2.gz JFMABFAGNJLLSL-OAHLLOKOSA-N 2 0 281.444 1.875 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H]([NH2+]CCCCCF)C2)C1 ZINC001317124506 957288598 /nfs/dbraw/zinc/28/85/98/957288598.db2.gz OPEFRMPBLNMWQT-KFWWJZLASA-N 2 0 299.434 1.705 10 0 CDAERP [NH3+][C@H]1CC=C(c2nc([C@H]3C[NH+]4CCC3CC4)no2)C1 ZINC001331845955 957295906 /nfs/dbraw/zinc/29/59/06/957295906.db2.gz ARZGRNKPZSWKJU-RYUDHWBXSA-N 2 0 260.341 1.383 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001367043478 957362860 /nfs/dbraw/zinc/36/28/60/957362860.db2.gz GVDPSJDZYFCNCR-KGLIPLIRSA-N 2 0 287.423 1.607 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001317308426 957416185 /nfs/dbraw/zinc/41/61/85/957416185.db2.gz CWZTUPTUKCIJAZ-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CCF ZINC001425582546 957573941 /nfs/dbraw/zinc/57/39/41/957573941.db2.gz UEVXAHFLTHPCNY-HIFRSBDPSA-N 2 0 299.434 1.799 10 0 CDAERP CCCC[NH2+]CCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001317654150 957625549 /nfs/dbraw/zinc/62/55/49/957625549.db2.gz IMCWJNMBNMAZBL-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC1CC1 ZINC001317685802 957640666 /nfs/dbraw/zinc/64/06/66/957640666.db2.gz DLPVOBVJCSRFLT-GDBMZVCRSA-N 2 0 295.471 1.953 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@]12CCC[C@H]1[NH+](CCOC)CC2 ZINC001425907546 957641321 /nfs/dbraw/zinc/64/13/21/957641321.db2.gz NPFFKWIFSIAALQ-GDBMZVCRSA-N 2 0 297.443 1.088 10 0 CDAERP CO[C@H](C)C[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C(C)(C)C ZINC001426164002 957815120 /nfs/dbraw/zinc/81/51/20/957815120.db2.gz KUHUWGVQWDCESY-ZIAGYGMSSA-N 2 0 299.459 1.238 10 0 CDAERP CC[N@@H+]1CCC[C@@H](CN[C@H]2CC[NH2+]C23CCC3)C1 ZINC001332875420 957907646 /nfs/dbraw/zinc/90/76/46/957907646.db2.gz BBCGPPMUAWSROW-KBPBESRZSA-N 2 0 251.418 1.593 10 0 CDAERP CC(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001367348574 957961133 /nfs/dbraw/zinc/96/11/33/957961133.db2.gz GQLHCGNKIHGBOW-DZGCQCFKSA-N 2 0 281.444 1.421 10 0 CDAERP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC001332991985 957998347 /nfs/dbraw/zinc/99/83/47/957998347.db2.gz RDYFLCWWEYRKSQ-MELADBBJSA-N 2 0 268.401 1.602 10 0 CDAERP CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CCOC ZINC001318524799 958154532 /nfs/dbraw/zinc/15/45/32/958154532.db2.gz PNYAFDNOWFGTJR-CQSZACIVSA-N 2 0 299.459 1.382 10 0 CDAERP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001494849467 972323673 /nfs/dbraw/zinc/32/36/73/972323673.db2.gz ZHWYNLVQJSXYCF-HNNXBMFYSA-N 2 0 295.471 1.907 10 0 CDAERP CC(C)OCC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001494869753 972326749 /nfs/dbraw/zinc/32/67/49/972326749.db2.gz WECKENMLHGZUSL-HNNXBMFYSA-N 2 0 297.443 1.040 10 0 CDAERP CCC[NH2+]C[C@](C)(NC(=O)CCc1c[nH]cn1)C1CC1 ZINC001318697694 958235972 /nfs/dbraw/zinc/23/59/72/958235972.db2.gz AKDUEFHCWKWPCB-HNNXBMFYSA-N 2 0 278.400 1.627 10 0 CDAERP C[C@@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001367754925 958304458 /nfs/dbraw/zinc/30/44/58/958304458.db2.gz OXNIPXKRTBEKKE-ZDUSSCGKSA-N 2 0 295.471 1.859 10 0 CDAERP COC[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001367882721 958452085 /nfs/dbraw/zinc/45/20/85/958452085.db2.gz OLRDOHQTWHUDQA-ZIAGYGMSSA-N 2 0 299.459 1.332 10 0 CDAERP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)C[NH2+]CCC1CC1 ZINC001319249077 958455779 /nfs/dbraw/zinc/45/57/79/958455779.db2.gz FJIPCOYNPUHMIN-CQSZACIVSA-N 2 0 295.471 1.860 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@@H](C[NH2+]CC2CC2)C2CC2)C1 ZINC001367898018 958465488 /nfs/dbraw/zinc/46/54/88/958465488.db2.gz GLGCUZTWCBDWEP-DOMZBBRYSA-N 2 0 279.428 1.223 10 0 CDAERP CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001494987046 972364708 /nfs/dbraw/zinc/36/47/08/972364708.db2.gz UMRRIUSCJNPZCK-QWHCGFSZSA-N 2 0 255.406 1.364 10 0 CDAERP CC(C)[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001319694518 958691708 /nfs/dbraw/zinc/69/17/08/958691708.db2.gz GSJKNUGNBDBLTQ-STQMWFEESA-N 2 0 255.406 1.173 10 0 CDAERP Cc1ncoc1C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001368706479 959061939 /nfs/dbraw/zinc/06/19/39/959061939.db2.gz GZTBOWDMJHUKQF-WCQYABFASA-N 2 0 294.399 1.062 10 0 CDAERP C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccsc1 ZINC001368750504 959102848 /nfs/dbraw/zinc/10/28/48/959102848.db2.gz WVRDDGACWXYYOV-JSGCOSHPSA-N 2 0 295.452 1.684 10 0 CDAERP C[C@@H](CC[NH2+]CCF)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001320560591 959241264 /nfs/dbraw/zinc/24/12/64/959241264.db2.gz CETSOKJBMWTSQI-KBPBESRZSA-N 2 0 287.423 1.705 10 0 CDAERP CCN(CC[NH2+]Cc1ccsc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001320921084 959458525 /nfs/dbraw/zinc/45/85/25/959458525.db2.gz LOWZDTWRYZRIRB-CQSZACIVSA-N 2 0 295.452 1.638 10 0 CDAERP CC[C@H](C)C[NH2+][C@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001369296077 959613856 /nfs/dbraw/zinc/61/38/56/959613856.db2.gz WYXNGRKZOUGWPL-UONOGXRCSA-N 2 0 281.444 1.565 10 0 CDAERP C[NH+](C)CCC(=O)NC/C=C/C[NH2+]Cc1ccccc1F ZINC001321220162 959661467 /nfs/dbraw/zinc/66/14/67/959661467.db2.gz ABGDHKBEBPPIRR-AATRIKPKSA-N 2 0 293.386 1.539 10 0 CDAERP COCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001321282412 959696219 /nfs/dbraw/zinc/69/62/19/959696219.db2.gz WIJHXEGFBOHGFZ-YVACAVLKSA-N 2 0 297.443 1.158 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CC[NH+](CC2CCC2)C1 ZINC001369984161 959944915 /nfs/dbraw/zinc/94/49/15/959944915.db2.gz DWKRFVQYSSFDEC-HZPDHXFCSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001321849886 959984583 /nfs/dbraw/zinc/98/45/83/959984583.db2.gz RIBPQLRWMIXPDF-BFHYXJOUSA-N 2 0 283.460 1.857 10 0 CDAERP CC[C@H](C)C[NH+]1CCC2(C[C@@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001370083240 959984783 /nfs/dbraw/zinc/98/47/83/959984783.db2.gz BTFZFMMMVGVWPP-GJZGRUSLSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]([NH2+]CC1CCCC1)C1CC1 ZINC001370212560 960023087 /nfs/dbraw/zinc/02/30/87/960023087.db2.gz IYTZPDGCRUSUAU-HNNXBMFYSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001370397880 960080761 /nfs/dbraw/zinc/08/07/61/960080761.db2.gz UIFSRFKHSPPBQW-MELADBBJSA-N 2 0 287.423 1.511 10 0 CDAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1ccccn1 ZINC001371361045 972486394 /nfs/dbraw/zinc/48/63/94/972486394.db2.gz FYNQGVRLAJPLAO-UONOGXRCSA-N 2 0 290.411 1.018 10 0 CDAERP COC[C@@H](C)[N@@H+]1CCC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001370788918 960200163 /nfs/dbraw/zinc/20/01/63/960200163.db2.gz JMPOBYYOQSWAOY-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)C[NH2+]CCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001322591877 960270871 /nfs/dbraw/zinc/27/08/71/960270871.db2.gz MTSWULVBJQYEOG-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CN(CCC[NH2+]C[C@H]1CC(C)(C)CO1)C(=O)CC[NH+](C)C ZINC001322677343 960294362 /nfs/dbraw/zinc/29/43/62/960294362.db2.gz AGHFVMQTCSMNTN-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC1CC(C)(C)C1 ZINC001371418263 972511149 /nfs/dbraw/zinc/51/11/49/972511149.db2.gz LURXIOCXSOEGOQ-CYBMUJFWSA-N 2 0 293.455 1.613 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CC[NH+](CC2CC2)C1 ZINC001418656183 960861727 /nfs/dbraw/zinc/86/17/27/960861727.db2.gz GQRUCZVWMLIIIT-CVEARBPZSA-N 2 0 293.455 1.709 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](C[C@@H](C)CC)[C@@H]1C ZINC001418820541 961066853 /nfs/dbraw/zinc/06/68/53/961066853.db2.gz OAUJDROSJXVEQP-ZNMIVQPWSA-N 2 0 283.460 1.953 10 0 CDAERP C[NH+](C)C1(C(=O)N2CCC[C@@H]2C[NH2+]C/C=C/Cl)CCC1 ZINC001324174893 961215698 /nfs/dbraw/zinc/21/56/98/961215698.db2.gz JZLGIQKWIMRNLT-OMDQHUAHSA-N 2 0 299.846 1.804 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001569351242 1169785678 /nfs/dbraw/zinc/78/56/78/1169785678.db2.gz ZQMAHYXLZGJHSD-DPOFCPOHSA-N 2 0 279.428 1.627 10 0 CDAERP CC[NH+]1CCC(C)(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001324339537 961319125 /nfs/dbraw/zinc/31/91/25/961319125.db2.gz IXHALXSPCRUODZ-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H](CC)CNC(=O)C12CCC[NH+]1CCC2 ZINC001419198039 961495887 /nfs/dbraw/zinc/49/58/87/961495887.db2.gz KIAAYVHSUZTVDU-ZIAGYGMSSA-N 2 0 299.434 1.847 10 0 CDAERP C[C@@H]1OCC[C@@H]1C[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001434510092 961584547 /nfs/dbraw/zinc/58/45/47/961584547.db2.gz QDNYLABVRSVPBI-JKSUJKDBSA-N 2 0 296.455 1.724 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001419467860 961741695 /nfs/dbraw/zinc/74/16/95/961741695.db2.gz JKZBGUPPFSCJDR-UONOGXRCSA-N 2 0 283.460 1.859 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N(C)[C@H](C)C[NH2+]C(C)C ZINC001419683121 961960183 /nfs/dbraw/zinc/96/01/83/961960183.db2.gz PQSJERQYWYFNPG-CHWSQXEVSA-N 2 0 275.412 1.511 10 0 CDAERP CC(C)[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CC1CC1)[NH+]1CCCC1 ZINC001419774660 962097728 /nfs/dbraw/zinc/09/77/28/962097728.db2.gz YJYOIAQAHVAHQT-GOEBONIOSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccccc1 ZINC001419899352 962212509 /nfs/dbraw/zinc/21/25/09/962212509.db2.gz IJSLZVYNIDYAFL-MRXNPFEDSA-N 2 0 291.439 1.869 10 0 CDAERP CC(C)[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]C/C=C/Cl ZINC001419910851 962226879 /nfs/dbraw/zinc/22/68/79/962226879.db2.gz VQTKWNNAPZRISA-HOSRBBHYSA-N 2 0 275.824 1.421 10 0 CDAERP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccc(F)cc1 ZINC001419931657 962249887 /nfs/dbraw/zinc/24/98/87/962249887.db2.gz ZHBHOSVOFDEJQH-CYBMUJFWSA-N 2 0 293.386 1.516 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1C[C@H](C)OC ZINC001436443650 962253379 /nfs/dbraw/zinc/25/33/79/962253379.db2.gz UQIMATZQQSECLN-SOUVJXGZSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001436952358 962522479 /nfs/dbraw/zinc/52/24/79/962522479.db2.gz IPRNZQRGEQZLJF-OKILXGFUSA-N 2 0 281.444 1.754 10 0 CDAERP C[C@@H](CNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH2+]CC1CCC1 ZINC001437244635 962761866 /nfs/dbraw/zinc/76/18/66/962761866.db2.gz HXECXQKMEWOSPN-BBRMVZONSA-N 2 0 279.428 1.367 10 0 CDAERP CCN(CCF)CCNC(=O)Cc1cn2c(n1)CCCC2 ZINC001420387048 962831841 /nfs/dbraw/zinc/83/18/41/962831841.db2.gz KIAWANPKCINRLH-UHFFFAOYSA-N 2 0 296.390 1.170 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]1C[C@@H](F)CC ZINC001437692480 963122772 /nfs/dbraw/zinc/12/27/72/963122772.db2.gz YGUBLBWWWBRLPZ-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP CCCC[N@H+](CCC)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001420623691 963129730 /nfs/dbraw/zinc/12/97/30/963129730.db2.gz YRTDJGMTHYLHAM-UHFFFAOYSA-N 2 0 281.444 1.711 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CC[NH+](CCCF)C1 ZINC001437709776 963136606 /nfs/dbraw/zinc/13/66/06/963136606.db2.gz ASBWOBLLDCRRLW-LSDHHAIUSA-N 2 0 299.434 1.659 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCC[NH+](CC2CC2)C2CC2)CC[N@@H+]1C ZINC001437806901 963191457 /nfs/dbraw/zinc/19/14/57/963191457.db2.gz WSPVPNVRNVMCKV-ZFWWWQNUSA-N 2 0 293.455 1.707 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]Cc1cccnc1)C1CC1 ZINC001420765301 963227790 /nfs/dbraw/zinc/22/77/90/963227790.db2.gz YLVSZOQSQBIKNT-HNNXBMFYSA-N 2 0 290.411 1.018 10 0 CDAERP CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001420767544 963231722 /nfs/dbraw/zinc/23/17/22/963231722.db2.gz YULFNULNPDPWMI-GJZGRUSLSA-N 2 0 275.396 1.548 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC[C@H]1CC[NH+](CCF)C1 ZINC001437931334 963245011 /nfs/dbraw/zinc/24/50/11/963245011.db2.gz LXRFVFWANUUOEB-LSDHHAIUSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001420888677 963333660 /nfs/dbraw/zinc/33/36/60/963333660.db2.gz UMCBVYUUTLDERH-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC(C[N@H+](C)CC2CC2)CC1 ZINC001420943798 963375620 /nfs/dbraw/zinc/37/56/20/963375620.db2.gz GCISOPIYKYPAMC-UHFFFAOYSA-N 2 0 281.444 1.519 10 0 CDAERP CCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001438262412 963387071 /nfs/dbraw/zinc/38/70/71/963387071.db2.gz DUSULVZKJYGOBE-OAHLLOKOSA-N 2 0 281.444 1.661 10 0 CDAERP CC[NH2+][C@H](CC)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001438331318 963419858 /nfs/dbraw/zinc/41/98/58/963419858.db2.gz LGTWZJJTWXTVFJ-DOMZBBRYSA-N 2 0 287.423 1.703 10 0 CDAERP CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C1C[NH+](CC2CC2)C1 ZINC001421061199 963437720 /nfs/dbraw/zinc/43/77/20/963437720.db2.gz DFOKLTGUZXFJNV-AWEZNQCLSA-N 2 0 279.428 1.413 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+]Cc1ccsc1 ZINC001438522290 963475663 /nfs/dbraw/zinc/47/56/63/963475663.db2.gz QQMODOBKRLNTHT-LBPRGKRZSA-N 2 0 283.441 1.542 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+]C[C@H]1CCCCO1 ZINC001438547541 963484068 /nfs/dbraw/zinc/48/40/68/963484068.db2.gz FLHAVSFQPQMMAS-LSDHHAIUSA-N 2 0 299.459 1.238 10 0 CDAERP C[C@@H](C[N@H+](C)CC1CC(C)(C)C1)NC(=O)[C@@H]1CCC[NH+]1C ZINC001439315102 963716814 /nfs/dbraw/zinc/71/68/14/963716814.db2.gz RXJXXOOZDIQXGZ-ZFWWWQNUSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@H](C[N@H+](C)CC1CCCCC1)NC(=O)CC[NH+](C)C ZINC001439360586 963736663 /nfs/dbraw/zinc/73/66/63/963736663.db2.gz FCJKQCBRGQCDLO-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@@H](C)C[N@H+](C)C[C@H](C)NC(=O)C[NH+](C)C(C)C ZINC001439400292 963752144 /nfs/dbraw/zinc/75/21/44/963752144.db2.gz AQMKZZAZSBGWCZ-KGLIPLIRSA-N 2 0 271.449 1.809 10 0 CDAERP CC[NH2+]C1(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001439647768 963830266 /nfs/dbraw/zinc/83/02/66/963830266.db2.gz VPKHLQNPYSWIDR-OAHLLOKOSA-N 2 0 285.407 1.457 10 0 CDAERP C[C@H](F)CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCC1 ZINC001440320418 963985478 /nfs/dbraw/zinc/98/54/78/963985478.db2.gz PWOMAPQYUQFKKD-QWHCGFSZSA-N 2 0 285.407 1.457 10 0 CDAERP CC(C)C[NH2+][C@@H]1CCCCCN(C(=O)CC[NH+](C)C)C1 ZINC001440469165 964066339 /nfs/dbraw/zinc/06/63/39/964066339.db2.gz DTLDBUVJFWWUSD-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@@H](F)C[N@H+](C)CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001440486451 964077308 /nfs/dbraw/zinc/07/73/08/964077308.db2.gz XLDQBODGTZRBMH-CQSZACIVSA-N 2 0 287.423 1.611 10 0 CDAERP CC[NH2+]CC1(NC(=O)[C@H](CC)[NH+](CC)CC)CCOCC1 ZINC001440571572 964111435 /nfs/dbraw/zinc/11/14/35/964111435.db2.gz AEEOZNPRVXXSMK-AWEZNQCLSA-N 2 0 299.459 1.382 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001440717237 964142474 /nfs/dbraw/zinc/14/24/74/964142474.db2.gz SDKVVPJGPHIBNZ-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001440929337 964269549 /nfs/dbraw/zinc/26/95/49/964269549.db2.gz ADKFUSPXRARAJI-DZGCQCFKSA-N 2 0 281.444 1.850 10 0 CDAERP CC(C)[C@H](C(=O)NCCC[N@H+](C)C(C)C)[NH+]1CCCC1 ZINC001479815350 964316221 /nfs/dbraw/zinc/31/62/21/964316221.db2.gz HKJZHEAHWQCGCB-OAHLLOKOSA-N 2 0 283.460 1.953 10 0 CDAERP C[NH+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001441438372 964516825 /nfs/dbraw/zinc/51/68/25/964516825.db2.gz XGESDFONTLKEGK-GOOCMWNKSA-N 2 0 279.428 1.460 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001441692853 964653199 /nfs/dbraw/zinc/65/31/99/964653199.db2.gz YUGBTZTWBBKWLK-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1cccnc1)[NH+](C)C ZINC001441851276 964751599 /nfs/dbraw/zinc/75/15/99/964751599.db2.gz KCMBGJYLZRSHSN-TZMCWYRMSA-N 2 0 278.400 1.016 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@@H](C[NH2+]Cc2cncs2)C1 ZINC001442147235 964888887 /nfs/dbraw/zinc/88/88/87/964888887.db2.gz QPGYJKIKPUVYAT-LBPRGKRZSA-N 2 0 296.440 1.033 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N(C)C1CC([NH2+]CC2CC2)C1 ZINC001442233583 964949113 /nfs/dbraw/zinc/94/91/13/964949113.db2.gz VOEHYWRNPQZSIH-YMAMQOFZSA-N 2 0 299.434 1.655 10 0 CDAERP CC[C@@H](F)C[N@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001442743892 965195695 /nfs/dbraw/zinc/19/56/95/965195695.db2.gz ISDAQIQJXYAXEE-CHWSQXEVSA-N 2 0 273.396 1.124 10 0 CDAERP CC(C)CCC[NH+]1CC(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001443589519 965527074 /nfs/dbraw/zinc/52/70/74/965527074.db2.gz RYFRVGPWMKQACC-UHFFFAOYSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCC1CC1 ZINC001443915405 965665809 /nfs/dbraw/zinc/66/58/09/965665809.db2.gz JJFXVQFZPXPSGB-BPLDGKMQSA-N 2 0 281.444 1.611 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]CCF ZINC001443935128 965673944 /nfs/dbraw/zinc/67/39/44/965673944.db2.gz SXBQSRZNZNGFEU-OLZOCXBDSA-N 2 0 273.396 1.315 10 0 CDAERP CC(C)[NH2+]C[C@](C)(NC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001444151125 965743950 /nfs/dbraw/zinc/74/39/50/965743950.db2.gz NIEJBQUKWUCDSF-BBRMVZONSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001445352240 966168964 /nfs/dbraw/zinc/16/89/64/966168964.db2.gz FEEVEHROZMDIAB-OCCSQVGLSA-N 2 0 281.444 1.611 10 0 CDAERP CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001446535497 966573211 /nfs/dbraw/zinc/57/32/11/966573211.db2.gz JUBVJDZJKZDYAD-ZFWWWQNUSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)OCC[N@@H+]1CC[C@@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001446550777 966577975 /nfs/dbraw/zinc/57/79/75/966577975.db2.gz HJTZQRAGBDNABT-MRXNPFEDSA-N 2 0 299.459 1.332 10 0 CDAERP CCC[NH2+]CCN[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC001350958557 966811651 /nfs/dbraw/zinc/81/16/51/966811651.db2.gz UIIKQMLISHASNE-GJZGRUSLSA-N 2 0 253.434 1.744 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001447897751 966922396 /nfs/dbraw/zinc/92/23/96/966922396.db2.gz ITDMZJURFCOLCJ-CHWSQXEVSA-N 2 0 295.402 1.760 10 0 CDAERP [NH3+]C1(C[NH2+]CCc2ccc(F)cc2F)CCOCC1 ZINC001351667086 966971616 /nfs/dbraw/zinc/97/16/16/966971616.db2.gz OUWLSNMIJFBWBG-UHFFFAOYSA-N 2 0 270.323 1.605 10 0 CDAERP CC/C=C/CC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001480119540 967088776 /nfs/dbraw/zinc/08/87/76/967088776.db2.gz QBIHWJTXLDKQJT-LFAOLKIESA-N 2 0 281.444 1.875 10 0 CDAERP COCCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001569535084 1169914543 /nfs/dbraw/zinc/91/45/43/1169914543.db2.gz WLEOJMMBDWMWIG-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC001454061281 968419090 /nfs/dbraw/zinc/41/90/90/968419090.db2.gz PRRHGZUNPHVBJJ-CQSZACIVSA-N 2 0 295.471 1.812 10 0 CDAERP Cc1nn(C)c(Cl)c1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000848563312 969174771 /nfs/dbraw/zinc/17/47/71/969174771.db2.gz RANDUQPKRUFRNW-PHIMTYICSA-N 2 0 270.808 1.812 10 0 CDAERP C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001457770948 969219434 /nfs/dbraw/zinc/21/94/34/969219434.db2.gz DLPSVQWFXXQCGS-RBSFLKMASA-N 2 0 281.444 1.707 10 0 CDAERP Cc1cccc(NC(=[NH2+])NC[C@H]2C[N@@H+](C)CCN2C)c1 ZINC000849008054 969400652 /nfs/dbraw/zinc/40/06/52/969400652.db2.gz MTCZKJFEHCWRCP-AWEZNQCLSA-N 2 0 275.400 1.177 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)CN1CC[NH+](C2CCCC2)[C@@H](C)C1 ZINC001460776652 969542327 /nfs/dbraw/zinc/54/23/27/969542327.db2.gz HXUBJBFCUWTQKW-RDJZCZTQSA-N 2 0 297.487 1.636 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)C1 ZINC001468343549 970153677 /nfs/dbraw/zinc/15/36/77/970153677.db2.gz OQCIYAFGUMIWGH-CBBWQLFWSA-N 2 0 279.428 1.269 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CC[C@H]2C[C@@H](C)C[NH+]2C1 ZINC001361741080 970481736 /nfs/dbraw/zinc/48/17/36/970481736.db2.gz GJBYUDDBKONQGR-QXSJWSMHSA-N 2 0 295.471 1.953 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001522662325 970530790 /nfs/dbraw/zinc/53/07/90/970530790.db2.gz QHCOQTFOMBNQMZ-LBPRGKRZSA-N 2 0 267.417 1.460 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)[C@H](C)CC[NH+](C)C)CC1 ZINC001361840752 970591719 /nfs/dbraw/zinc/59/17/19/970591719.db2.gz BREYVAXZNBBICL-CQSZACIVSA-N 2 0 283.460 1.907 10 0 CDAERP C[N@H+](CC(=O)NC[C@H]1C[NH+]2CCC1CC2)CC(C)(C)C ZINC001472233842 970601841 /nfs/dbraw/zinc/60/18/41/970601841.db2.gz USEBQOFGOLQSJU-AWEZNQCLSA-N 2 0 281.444 1.422 10 0 CDAERP CCCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CN(C)CCO1 ZINC001495553451 972536169 /nfs/dbraw/zinc/53/61/69/972536169.db2.gz WYFYOVZNZVUTEI-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)[NH2+]CC2CC2)CC[N@@H+]1C ZINC001371770162 972633172 /nfs/dbraw/zinc/63/31/72/972633172.db2.gz VTCSCVLNJILOGQ-AEGPPILISA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001496085496 972791060 /nfs/dbraw/zinc/79/10/60/972791060.db2.gz YOZDHYOFJIGOMF-CABCVRRESA-N 2 0 283.460 1.975 10 0 CDAERP CC[N@H+](CCNC(=O)CC[NH+](C)C)CC1CC2(CCC2)C1 ZINC001372413814 972947780 /nfs/dbraw/zinc/94/77/80/972947780.db2.gz XMXVBRDECRRXMR-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)C[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001373292248 973352637 /nfs/dbraw/zinc/35/26/37/973352637.db2.gz KIXXIWJHQKCPIZ-HOTGVXAUSA-N 2 0 295.471 1.765 10 0 CDAERP CC[C@H](F)C[NH2+]CCN(CC)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001497456792 973355204 /nfs/dbraw/zinc/35/52/04/973355204.db2.gz YILQQKWJOWEFCS-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001417764145 973371173 /nfs/dbraw/zinc/37/11/73/973371173.db2.gz ZHWCKMFOFIRENN-XPABHHOTSA-N 2 0 299.434 1.559 10 0 CDAERP C[NH+](C)CCCC(=O)NC[C@H]1CC[C@@H]([NH2+]CCF)C1 ZINC001417808399 973395820 /nfs/dbraw/zinc/39/58/20/973395820.db2.gz VEQJGNKLYQLZSR-QWHCGFSZSA-N 2 0 273.396 1.172 10 0 CDAERP CC(C)CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001373407381 973418959 /nfs/dbraw/zinc/41/89/59/973418959.db2.gz NEELOMPVOIQGBA-HNNXBMFYSA-N 2 0 283.460 1.953 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]C(C)C ZINC001497600147 973429833 /nfs/dbraw/zinc/42/98/33/973429833.db2.gz POTNSLGVIINVAU-GJBLVYBDSA-N 2 0 267.417 1.531 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCCC(C)C)C1 ZINC001417947323 973489072 /nfs/dbraw/zinc/48/90/72/973489072.db2.gz QLLLLLLXEKCLFN-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CC[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001497764050 973489131 /nfs/dbraw/zinc/48/91/31/973489131.db2.gz NPJNSJZHQLUBNO-FMFIFOJESA-N 2 0 253.390 1.143 10 0 CDAERP CC[NH2+][C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001417998680 973522058 /nfs/dbraw/zinc/52/20/58/973522058.db2.gz MMCNPRHAIHYYRG-HIFRSBDPSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@H](C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1)OC ZINC001418097612 973584646 /nfs/dbraw/zinc/58/46/46/973584646.db2.gz OXXGHRUBWGTODN-LXTVHRRPSA-N 2 0 297.443 1.133 10 0 CDAERP CC1CC(C[NH2+]C[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001418136491 973604764 /nfs/dbraw/zinc/60/47/64/973604764.db2.gz FMTJKGUFWZYHRT-HWOWSKLDSA-N 2 0 295.471 1.812 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001498283045 973807941 /nfs/dbraw/zinc/80/79/41/973807941.db2.gz NOTQPZOTNVAALY-GDBMZVCRSA-N 2 0 293.455 1.731 10 0 CDAERP CC[C@H](C(=O)NCC[N@H+](C)CC1CC(C)(C)C1)[NH+](C)C ZINC001418473944 973882177 /nfs/dbraw/zinc/88/21/77/973882177.db2.gz IOPVUWYWWOVAHI-CQSZACIVSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@@H](C[N@H+](C)CCC1CCCC1)NC(=O)Cn1ccnc1 ZINC001498466112 973933037 /nfs/dbraw/zinc/93/30/37/973933037.db2.gz QFBSVRZYIGPLEA-AWEZNQCLSA-N 2 0 292.427 1.900 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+](CC)CCC2CC2)CC[N@@H+]1C ZINC001418548774 973957266 /nfs/dbraw/zinc/95/72/66/973957266.db2.gz RPGRRSPLDYEJTE-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]CC1CCCC1)C1CC1 ZINC001498815980 974067691 /nfs/dbraw/zinc/06/76/91/974067691.db2.gz FQQOYAYGKCJXMY-OAHLLOKOSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001374933568 974183570 /nfs/dbraw/zinc/18/35/70/974183570.db2.gz KIKVJRGYDDXJSM-QWHCGFSZSA-N 2 0 289.439 1.807 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccns1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001374933746 974184102 /nfs/dbraw/zinc/18/41/02/974184102.db2.gz OJNSMXWUGGSMBA-NEPJUHHUSA-N 2 0 296.440 1.079 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CC[C@H](C)F)CC2)CC[N@@H+]1C ZINC001499230844 974217663 /nfs/dbraw/zinc/21/76/63/974217663.db2.gz KCHYZZFTVFTAAC-MELADBBJSA-N 2 0 299.434 1.703 10 0 CDAERP CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CCC(C)C)C1)[NH+](C)C ZINC001375496047 974405081 /nfs/dbraw/zinc/40/50/81/974405081.db2.gz AXEXXLKWDSSTPJ-QLFBSQMISA-N 2 0 283.460 1.857 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001375756674 974470808 /nfs/dbraw/zinc/47/08/08/974470808.db2.gz LJLLTJXJYUAKSR-KBPBESRZSA-N 2 0 299.434 1.799 10 0 CDAERP CC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001376423014 974655761 /nfs/dbraw/zinc/65/57/61/974655761.db2.gz LZJHVYXMXUUGAZ-JOCQHMNTSA-N 2 0 281.444 1.896 10 0 CDAERP CCCC[NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001502738557 974772152 /nfs/dbraw/zinc/77/21/52/974772152.db2.gz QIUURCXKVGFHEL-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001377456741 975035098 /nfs/dbraw/zinc/03/50/98/975035098.db2.gz BOUMRZMAYFIOGI-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C1C[NH+](CCCF)C1 ZINC001506631644 975194086 /nfs/dbraw/zinc/19/40/86/975194086.db2.gz QBVIONXQPKXWGK-ZFWWWQNUSA-N 2 0 299.434 1.657 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)CC(C)C ZINC001378049401 975219969 /nfs/dbraw/zinc/21/99/69/975219969.db2.gz AKSJWHBGDLXUCP-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH+](C)CC2CCC2)CC[N@@H+]1C ZINC001378052088 975222269 /nfs/dbraw/zinc/22/22/69/975222269.db2.gz XBRQYIGUTCVLIH-CWRNSKLLSA-N 2 0 295.471 1.953 10 0 CDAERP CCCC[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001378063957 975226861 /nfs/dbraw/zinc/22/68/61/975226861.db2.gz ZGNBOCLEILCACA-GJZGRUSLSA-N 2 0 281.444 1.851 10 0 CDAERP C[C@@H](CCC[NH2+]CC1CC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001506952189 975271140 /nfs/dbraw/zinc/27/11/40/975271140.db2.gz UPQFMALXSDQLLF-GXTWGEPZSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CN(C)C(=O)CCC[NH+](C)C ZINC001507114509 975341516 /nfs/dbraw/zinc/34/15/16/975341516.db2.gz IOVIIQJRYHSODT-CQSZACIVSA-N 2 0 269.433 1.731 10 0 CDAERP C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1C[NH+](CCCF)C1 ZINC001378533893 975380874 /nfs/dbraw/zinc/38/08/74/975380874.db2.gz BGRGDQAMYFHNFL-CHWSQXEVSA-N 2 0 285.407 1.124 10 0 CDAERP CC(C)C[NH+]1CC([C@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001378537543 975382067 /nfs/dbraw/zinc/38/20/67/975382067.db2.gz IPJYWHRYIMTZFA-KGLIPLIRSA-N 2 0 281.444 1.421 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CCCF)CN1C(=O)CCC[NH+]1CCCC1 ZINC001507344707 975424970 /nfs/dbraw/zinc/42/49/70/975424970.db2.gz ZNHWHLLNGRUBIT-CABCVRRESA-N 2 0 299.434 1.801 10 0 CDAERP CCC(CC)C[N@@H+]1CCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001378684709 975442529 /nfs/dbraw/zinc/44/25/29/975442529.db2.gz KRMQCBKKYPCEQG-HNNXBMFYSA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001397081382 975455609 /nfs/dbraw/zinc/45/56/09/975455609.db2.gz PGFYRRWPZUDSRS-KBXIAJHMSA-N 2 0 299.434 1.561 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CC[C@@H](C)F)C1 ZINC001404676142 975457316 /nfs/dbraw/zinc/45/73/16/975457316.db2.gz XDMUEJFCFVAUOK-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP CC1CC[NH+](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCF)C2)CC1 ZINC001397171821 975485613 /nfs/dbraw/zinc/48/56/13/975485613.db2.gz KOEFWJDZILIMRT-LSDHHAIUSA-N 2 0 299.434 1.562 10 0 CDAERP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2CCOC)[NH+](CC)CC ZINC001404991663 975577785 /nfs/dbraw/zinc/57/77/85/975577785.db2.gz UWYJBGARZXIXEZ-SOUVJXGZSA-N 2 0 297.443 1.038 10 0 CDAERP CC(C)[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cccnc1 ZINC001378998596 975585039 /nfs/dbraw/zinc/58/50/39/975585039.db2.gz YIIMYKMJBMKNIW-HNNXBMFYSA-N 2 0 292.427 1.264 10 0 CDAERP CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001379008444 975591863 /nfs/dbraw/zinc/59/18/63/975591863.db2.gz CJHYVUWGDRGTCT-GJZGRUSLSA-N 2 0 281.444 1.706 10 0 CDAERP CC(C)[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC[C@H](C)F ZINC001401349229 975604133 /nfs/dbraw/zinc/60/41/33/975604133.db2.gz KPYGYBVGNUNFNL-KBPBESRZSA-N 2 0 287.423 1.561 10 0 CDAERP CN(CC[N@H+](C)CC1CCCC1)C(=O)[C@H]1CCC[NH+]1C ZINC001379034084 975610907 /nfs/dbraw/zinc/61/09/07/975610907.db2.gz QOHPWXYQFTXKDU-OAHLLOKOSA-N 2 0 281.444 1.661 10 0 CDAERP CC(C)CC[NH2+]C1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001508139719 975620482 /nfs/dbraw/zinc/62/04/82/975620482.db2.gz CZTQPZQXZDNCIJ-QQFBHYJXSA-N 2 0 295.471 1.953 10 0 CDAERP CCOCCC[NH2+]C1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001508148450 975622854 /nfs/dbraw/zinc/62/28/54/975622854.db2.gz WHUWMMANISYBBI-UHFFFAOYSA-N 2 0 297.443 1.088 10 0 CDAERP CCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](CC2CC(C)C2)C1 ZINC001405178954 975659215 /nfs/dbraw/zinc/65/92/15/975659215.db2.gz PHDWLJWETVMXNB-GPANFISMSA-N 2 0 295.471 1.907 10 0 CDAERP CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]C[C@@H](C)OC ZINC001405273562 975699365 /nfs/dbraw/zinc/69/93/65/975699365.db2.gz NGNXYMZAPYTOLC-ZIAGYGMSSA-N 2 0 299.459 1.380 10 0 CDAERP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC1CC(C)(C)C1 ZINC001379320119 975761908 /nfs/dbraw/zinc/76/19/08/975761908.db2.gz FVMZBRGKYQSGOG-HIFRSBDPSA-N 2 0 295.471 1.811 10 0 CDAERP CC[C@@H](C[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)C(C)C)OC ZINC001405606033 975783184 /nfs/dbraw/zinc/78/31/84/975783184.db2.gz MJZLQTMDSGHKEC-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1)NC(=O)CC[NH+](C)C ZINC001401701558 975812602 /nfs/dbraw/zinc/81/26/02/975812602.db2.gz WPSSGVOHFHXLMR-STQMWFEESA-N 2 0 295.402 1.933 10 0 CDAERP C[C@H](C[NH2+]Cc1ccncc1Cl)NC(=O)CC[NH+](C)C ZINC001379416104 975826980 /nfs/dbraw/zinc/82/69/80/975826980.db2.gz GGXXTEIVORAVSQ-LLVKDONJSA-N 2 0 298.818 1.281 10 0 CDAERP C[C@@H](C[N@H+](C)CCC(C)(C)C)NC(=O)[C@H]1CCC[NH+]1C ZINC001401732562 975849483 /nfs/dbraw/zinc/84/94/83/975849483.db2.gz JWMGDUQQQJZHTR-UONOGXRCSA-N 2 0 283.460 1.953 10 0 CDAERP COC[C@H](C)[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001379626801 975967781 /nfs/dbraw/zinc/96/77/81/975967781.db2.gz LYPXJIMYIGWDIB-LZWOXQAQSA-N 2 0 297.443 1.086 10 0 CDAERP CC(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001389785153 975988123 /nfs/dbraw/zinc/98/81/23/975988123.db2.gz UHSNSMKZOLKCFL-JKSUJKDBSA-N 2 0 293.455 1.565 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001379686992 976009237 /nfs/dbraw/zinc/00/92/37/976009237.db2.gz HKLKCAOSDRPXCQ-LSDHHAIUSA-N 2 0 293.455 1.613 10 0 CDAERP C[C@H](C[N@H+](C)CC[C@H]1CCCCO1)NC(=O)CC[NH+](C)C ZINC001379743420 976047848 /nfs/dbraw/zinc/04/78/48/976047848.db2.gz PETRPSAIUSGADC-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001402141127 976143793 /nfs/dbraw/zinc/14/37/93/976143793.db2.gz MBWOMEFVGALCBC-GOEBONIOSA-N 2 0 283.460 1.955 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@](C)(C[NH2+]CC3CC3)C2)C1 ZINC001402170749 976158228 /nfs/dbraw/zinc/15/82/28/976158228.db2.gz KAEYDOBHWXSSKK-RDJZCZTQSA-N 2 0 293.455 1.566 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC[C@@H](C)F)C[C@H]21)[NH+](C)C ZINC001390244550 976184994 /nfs/dbraw/zinc/18/49/94/976184994.db2.gz NRIVRZZBDWXWSW-RGDJUOJXSA-N 2 0 285.407 1.121 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]C[C@H]1CC(C)(C)CO1)[NH+](C)C ZINC001406526089 976239195 /nfs/dbraw/zinc/23/91/95/976239195.db2.gz CBLCMDOINKZWHR-MJBXVCDLSA-N 2 0 299.459 1.236 10 0 CDAERP COC[C@@H](C)[NH+]1CCC([C@@H](C)NC(=O)CC[NH+](C)C)CC1 ZINC001380135869 976259218 /nfs/dbraw/zinc/25/92/18/976259218.db2.gz ZHMJZCHVRKOIGY-ZIAGYGMSSA-N 2 0 299.459 1.190 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H]2C[N@H+](C/C=C/Cl)C[C@H]21 ZINC001402477919 976303178 /nfs/dbraw/zinc/30/31/78/976303178.db2.gz ZKPGGKIHJBILPJ-QFVHEQCKSA-N 2 0 299.846 1.613 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)[NH2+]CC(C)C)C1 ZINC001390459446 976305201 /nfs/dbraw/zinc/30/52/01/976305201.db2.gz PQAVQCHDLUYSDM-GJZGRUSLSA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC[C@H]2CCCO2)C1 ZINC001399225588 976388273 /nfs/dbraw/zinc/38/82/73/976388273.db2.gz PYQJUKSYYJDHBI-LSDHHAIUSA-N 2 0 297.443 1.086 10 0 CDAERP Cc1cc(C[NH2+][C@@H](C)CCNC(=O)C[NH+]2CCCC2)no1 ZINC001402858212 976543425 /nfs/dbraw/zinc/54/34/25/976543425.db2.gz PGFDBTSCBWLQAQ-LBPRGKRZSA-N 2 0 294.399 1.063 10 0 CDAERP CC(C)CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCC1 ZINC001380853987 976578262 /nfs/dbraw/zinc/57/82/62/976578262.db2.gz ZZDSNQMQSXGRNI-CQSZACIVSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001402933692 976598664 /nfs/dbraw/zinc/59/86/64/976598664.db2.gz MCOJDDVBSGBKHQ-CVEARBPZSA-N 2 0 295.471 1.907 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)CC[C@H](C)F ZINC001390915352 976604101 /nfs/dbraw/zinc/60/41/01/976604101.db2.gz PAQWCGHURCMGOY-YNEHKIRRSA-N 2 0 296.390 1.699 10 0 CDAERP CC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)CCC(C)C ZINC001390964432 976624842 /nfs/dbraw/zinc/62/48/42/976624842.db2.gz SYZCDZSCEFHOPG-UHFFFAOYSA-N 2 0 283.460 1.812 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]C/C=C/Cl ZINC001402997814 976652171 /nfs/dbraw/zinc/65/21/71/976652171.db2.gz FIGSTQLFUREBCB-FNSAGKMKSA-N 2 0 275.824 1.564 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cncs1 ZINC001403011097 976659240 /nfs/dbraw/zinc/65/92/40/976659240.db2.gz GFMHPMWHIXZWMO-NWDGAFQWSA-N 2 0 298.456 1.468 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001403069628 976693031 /nfs/dbraw/zinc/69/30/31/976693031.db2.gz PHLZHXLRQHXRPJ-CHWSQXEVSA-N 2 0 287.423 1.561 10 0 CDAERP CCC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)CCC1CC1 ZINC001391140031 976718993 /nfs/dbraw/zinc/71/89/93/976718993.db2.gz IRPZKFCUHOVTGG-UHFFFAOYSA-N 2 0 293.455 1.711 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)CCCF ZINC001381313557 976759062 /nfs/dbraw/zinc/75/90/62/976759062.db2.gz NFANQMNGWHXEPQ-CQSZACIVSA-N 2 0 287.423 1.609 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001399938427 976761440 /nfs/dbraw/zinc/76/14/40/976761440.db2.gz ZQVXTNXFNLSERX-UONOGXRCSA-N 2 0 299.434 1.514 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[C@H]2CC[NH+](CC)C2)C1 ZINC001391313925 976807140 /nfs/dbraw/zinc/80/71/40/976807140.db2.gz GUODDARRQJNUES-JKSUJKDBSA-N 2 0 295.471 1.957 10 0 CDAERP CCC[N@@H+]1CC[C@H](CCNC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001391338508 976819896 /nfs/dbraw/zinc/81/98/96/976819896.db2.gz MLCUUKGZJFUQLC-RDJZCZTQSA-N 2 0 293.455 1.711 10 0 CDAERP CN(CCC[N@H+](C)CCF)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001407906458 976827905 /nfs/dbraw/zinc/82/79/05/976827905.db2.gz RLGGQRMEBZWTKB-AWEZNQCLSA-N 2 0 285.407 1.078 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H](C)C1C[NH+](CC[C@H](C)F)C1 ZINC001403328900 976885069 /nfs/dbraw/zinc/88/50/69/976885069.db2.gz NPVHZHMCCHVQSJ-STQMWFEESA-N 2 0 287.423 1.513 10 0 CDAERP Cc1cc(C[NH2+][C@H](C)CCNC(=O)[C@@H]2CCC[N@@H+]2C)on1 ZINC001403352789 976904527 /nfs/dbraw/zinc/90/45/27/976904527.db2.gz UORPNKIRINNWJH-RISCZKNCSA-N 2 0 294.399 1.062 10 0 CDAERP CC(C)CC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001408096336 976914293 /nfs/dbraw/zinc/91/42/93/976914293.db2.gz CYXPWYBISOZIIP-LSDHHAIUSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](CC2CCC2)C1 ZINC001391628145 977000934 /nfs/dbraw/zinc/00/09/34/977000934.db2.gz YTRVAKKJDCBPLJ-OAHLLOKOSA-N 2 0 281.444 1.659 10 0 CDAERP CC(C)C[NH2+]CC1(NC(=O)C23CC[NH+](CC2)C3)CCCC1 ZINC001391776812 977093671 /nfs/dbraw/zinc/09/36/71/977093671.db2.gz QFGADBJOJWWYGW-UHFFFAOYSA-N 2 0 293.455 1.757 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]C(C)C)C1)[NH+](CC)CC ZINC001381969059 977104893 /nfs/dbraw/zinc/10/48/93/977104893.db2.gz TXVSMFHSMPWHLQ-RBSFLKMASA-N 2 0 283.460 2.000 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001391867174 977120602 /nfs/dbraw/zinc/12/06/02/977120602.db2.gz XMWZHVUOBUNTDX-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP C[C@H]1C[C@H](C[N@H+](C)CCNC(=O)CCC[NH+](C)C)CCO1 ZINC001403672443 977135965 /nfs/dbraw/zinc/13/59/65/977135965.db2.gz OXRVUXXGSKLOCP-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CC1CCC1 ZINC001382066738 977150846 /nfs/dbraw/zinc/15/08/46/977150846.db2.gz JNIXEPMREQTTHK-CJNGLKHVSA-N 2 0 293.455 1.565 10 0 CDAERP CC[C@H](C(=O)N(C)[C@H]1CC[N@H+](CC2CCC2)C1)[NH+](C)C ZINC001400731068 977162513 /nfs/dbraw/zinc/16/25/13/977162513.db2.gz TXYVHPDZLFBCGE-LSDHHAIUSA-N 2 0 281.444 1.659 10 0 CDAERP Cc1ncoc1C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001403729582 977163637 /nfs/dbraw/zinc/16/36/37/977163637.db2.gz AHYRDUTWOXYUNN-DGCLKSJQSA-N 2 0 294.399 1.014 10 0 CDAERP C[C@@H]1[C@@H]([NH2+]Cc2ccccn2)CCN1C(=O)CC[NH+](C)C ZINC001403749845 977175999 /nfs/dbraw/zinc/17/59/99/977175999.db2.gz RRDFZHPTTNPRMX-HIFRSBDPSA-N 2 0 290.411 1.112 10 0 CDAERP C[C@@H](F)CC[NH2+][C@@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001382166329 977197359 /nfs/dbraw/zinc/19/73/59/977197359.db2.gz WXBLUROWXFDVEZ-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccsc1 ZINC001400844831 977221500 /nfs/dbraw/zinc/22/15/00/977221500.db2.gz DYPLUZDSBXHGQI-CYBMUJFWSA-N 2 0 283.441 1.684 10 0 CDAERP CC(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC001382374933 977266915 /nfs/dbraw/zinc/26/69/15/977266915.db2.gz FGQLXVPCGGKXFH-HUUCEWRRSA-N 2 0 295.471 1.811 10 0 CDAERP CC(C)[NH+]1CCC([C@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001382562571 977307741 /nfs/dbraw/zinc/30/77/41/977307741.db2.gz BFVHPJUOGYCNQN-LSDHHAIUSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)CC[NH2+]C1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001382586378 977312670 /nfs/dbraw/zinc/31/26/70/977312670.db2.gz HENOCGLXTIHBAV-UHFFFAOYSA-N 2 0 295.471 1.953 10 0 CDAERP Cc1csc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001392549198 977483105 /nfs/dbraw/zinc/48/31/05/977483105.db2.gz JGKDXDVOFJDFMM-JQWIXIFHSA-N 2 0 296.440 1.140 10 0 CDAERP C[C@@H](CN(C)Cc1cncs1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001392636335 977518994 /nfs/dbraw/zinc/51/89/94/977518994.db2.gz GPDIEOYBYAAERT-AAEUAGOBSA-N 2 0 296.440 1.174 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N[C@]2(C)CC[NH+](C/C=C/Cl)C2)C1 ZINC001393118672 977713438 /nfs/dbraw/zinc/71/34/38/977713438.db2.gz MYHCHXCXUOMJFN-YYAKZPHOSA-N 2 0 299.846 1.661 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCCF ZINC001393468075 977793360 /nfs/dbraw/zinc/79/33/60/977793360.db2.gz UJBPIGNWOGYTMY-LSDHHAIUSA-N 2 0 299.434 1.752 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1conc1C ZINC001393991539 977999247 /nfs/dbraw/zinc/99/92/47/977999247.db2.gz KCAAGYKKBNCHGJ-NEPJUHHUSA-N 2 0 296.415 1.308 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@]12CCC[C@@H]1[NH+](CCF)CC2 ZINC001394681794 978229211 /nfs/dbraw/zinc/22/92/11/978229211.db2.gz DJEOZXKWXQTILM-HOCLYGCPSA-N 2 0 299.434 1.801 10 0 CDAERP CC[N@H+](C)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C(C)C ZINC001394810625 978270511 /nfs/dbraw/zinc/27/05/11/978270511.db2.gz YPXGRJXOSLISNH-GJZGRUSLSA-N 2 0 283.460 1.905 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CC1CCC1 ZINC001674992228 1174055873 /nfs/dbraw/zinc/05/58/73/1174055873.db2.gz VJFPNNFPGMDNAQ-LBPRGKRZSA-N 2 0 255.406 1.175 10 0 CDAERP CCC[N@H+](C)CC(=O)NCCCCc1cc[nH+]c(N)c1 ZINC001654068756 1171589623 /nfs/dbraw/zinc/58/96/23/1171589623.db2.gz IPRIAOJWDUSIAK-UHFFFAOYSA-N 2 0 278.400 1.445 10 0 CDAERP CC[NH2+]CCCCCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001656682043 1171862773 /nfs/dbraw/zinc/86/27/73/1171862773.db2.gz YKNSOGCIHIPGJV-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000252463267 342453057 /nfs/dbraw/zinc/45/30/57/342453057.db2.gz WCCKWMMMCUSGJZ-LSDHHAIUSA-N 2 0 296.459 1.596 10 0 CDAERP [NH3+]CC1(CC[NH2+]Cc2ccccc2N2CCOCC2)CC1 ZINC000650712715 398155510 /nfs/dbraw/zinc/15/55/10/398155510.db2.gz QWVADVTXSLSTPE-UHFFFAOYSA-N 2 0 289.423 1.742 10 0 CDAERP [NH3+]CC1(CC[NH2+]C2CCN(C(=O)c3ccoc3)CC2)CC1 ZINC000650713362 398157560 /nfs/dbraw/zinc/15/75/60/398157560.db2.gz QFNBGIQCGLFMOL-UHFFFAOYSA-N 2 0 291.395 1.603 10 0 CDAERP CC(C)C[N@H+](C)CCCN[C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000650739926 398170909 /nfs/dbraw/zinc/17/09/09/398170909.db2.gz BXVWZYGFDPQEFA-CVEARBPZSA-N 2 0 283.460 1.321 10 0 CDAERP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000650740857 398171087 /nfs/dbraw/zinc/17/10/87/398171087.db2.gz STZIJPBLVVKTCG-BZUAXINKSA-N 3 0 267.461 1.942 10 0 CDAERP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000650757848 398181072 /nfs/dbraw/zinc/18/10/72/398181072.db2.gz CAFXFESRPHZYIG-SUMWQHHRSA-N 2 0 273.424 1.978 10 0 CDAERP CCO[C@H](C[N@@H+]1CC[C@H](CN2CCOCC2)C1)C1CC1 ZINC000625183555 342038644 /nfs/dbraw/zinc/03/86/44/342038644.db2.gz NCKDOUFZHQHCQJ-GDBMZVCRSA-N 2 0 282.428 1.456 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)CC(=O)NCC(C)(C)C)[C@@H](C)C1 ZINC000625257216 342057994 /nfs/dbraw/zinc/05/79/94/342057994.db2.gz XYKONWNXOMZPPC-UONOGXRCSA-N 2 0 283.460 1.811 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000617014400 342607803 /nfs/dbraw/zinc/60/78/03/342607803.db2.gz ITFUNIMOWXJGPW-KGLIPLIRSA-N 2 0 281.444 1.850 10 0 CDAERP [NH3+]CCN1CC[NH2+]C[C@H]1c1cccc2cccnc21 ZINC000616635780 342121141 /nfs/dbraw/zinc/12/11/41/342121141.db2.gz MLFNZKPPXYEEIL-AWEZNQCLSA-N 2 0 256.353 1.140 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)c1ccc(C[NH3+])cc1 ZINC000061642265 282133926 /nfs/dbraw/zinc/13/39/26/282133926.db2.gz DPNYJUPKGWYPFB-CQSZACIVSA-N 2 0 261.369 1.312 10 0 CDAERP CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC000591571895 342637358 /nfs/dbraw/zinc/63/73/58/342637358.db2.gz XYJXMLNFWMGCGX-KGLIPLIRSA-N 2 0 282.432 1.112 10 0 CDAERP Cc1cn2c(n1)C[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1)CC2 ZINC000625801437 342201084 /nfs/dbraw/zinc/20/10/84/342201084.db2.gz GMMICICPAGJIBW-MJBXVCDLSA-N 2 0 290.411 1.353 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](C1CCCCC1)N(C)C ZINC000422888276 536595166 /nfs/dbraw/zinc/59/51/66/536595166.db2.gz CNAVHWRUHQPGHO-CVEARBPZSA-N 2 0 285.476 1.840 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000629397918 361928987 /nfs/dbraw/zinc/92/89/87/361928987.db2.gz HAQABKKUGFSKSA-UHFFFAOYSA-N 2 0 295.402 1.881 10 0 CDAERP C[NH2+]CCc1ccccc1C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000228501800 539053496 /nfs/dbraw/zinc/05/34/96/539053496.db2.gz BWLZLSADFFREJR-CQSZACIVSA-N 2 0 275.396 1.273 10 0 CDAERP CCC[NH+]1CCC(NC[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000151243715 539073170 /nfs/dbraw/zinc/07/31/70/539073170.db2.gz OAUUSAVIEABASU-MRXNPFEDSA-N 2 0 283.460 1.297 10 0 CDAERP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)C1CC[NH+](C)CC1 ZINC000151345323 539073667 /nfs/dbraw/zinc/07/36/67/539073667.db2.gz UFNHJILMMMUQQE-GDBMZVCRSA-N 3 0 283.460 1.153 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CC[NH+]2CC[C@H]1C2 ZINC000629995839 539083466 /nfs/dbraw/zinc/08/34/66/539083466.db2.gz MEOPJFMKWXKKTC-KBPBESRZSA-N 2 0 265.401 1.167 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)[C@@H]1SC ZINC000594614189 342927932 /nfs/dbraw/zinc/92/79/32/342927932.db2.gz JHGGLFFLGKIAMT-VJTDZRGJSA-N 2 0 272.458 1.825 10 0 CDAERP COC(=O)C[C@H]1CCC[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000595894647 343182755 /nfs/dbraw/zinc/18/27/55/343182755.db2.gz YACBAAMFFOXOEE-OAHLLOKOSA-N 2 0 288.391 1.860 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](n1cccn1)C(F)(F)F ZINC000629513361 362127435 /nfs/dbraw/zinc/12/74/35/362127435.db2.gz HQGIARLFLGMBPJ-WDEREUQCSA-N 2 0 294.321 1.330 10 0 CDAERP [NH3+]C1CCC([NH2+]C[C@@H]2Cc3ccccc3CO2)CC1 ZINC000629514655 362130311 /nfs/dbraw/zinc/13/03/11/362130311.db2.gz SKDULZNBHDEROR-GPANFISMSA-N 2 0 260.381 1.987 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H](n1cccn1)C(F)(F)F ZINC000629514603 362130513 /nfs/dbraw/zinc/13/05/13/362130513.db2.gz MCGJYWGGYDPTIH-GUBZILKMSA-N 2 0 264.295 1.702 10 0 CDAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCC1([NH3+])CCOCC1 ZINC000629519029 362136855 /nfs/dbraw/zinc/13/68/55/362136855.db2.gz DSBQWNHGCMQBKQ-KGLIPLIRSA-N 2 0 269.433 1.395 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)c1cccc(F)c1F ZINC000629529706 362156393 /nfs/dbraw/zinc/15/63/93/362156393.db2.gz LKDYRVGZWINVAX-SNVBAGLBSA-N 2 0 258.312 1.851 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)c1nc2ccccc2n1C ZINC000629529431 362157373 /nfs/dbraw/zinc/15/73/73/362157373.db2.gz CJXUZUNFHXPCCH-GFCCVEGCSA-N 2 0 276.384 1.460 10 0 CDAERP CSC[C@](C)(O)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000598966683 343931055 /nfs/dbraw/zinc/93/10/55/343931055.db2.gz YFUVRSYJADSKHK-WCQYABFASA-N 2 0 260.447 1.563 10 0 CDAERP O=C(NCC1CC[NH2+]CC1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000246235960 343956617 /nfs/dbraw/zinc/95/66/17/343956617.db2.gz FVGKOZKJLXOSSX-MCIONIFRSA-N 2 0 265.401 1.023 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000261567850 344683459 /nfs/dbraw/zinc/68/34/59/344683459.db2.gz ITHVPLLVCOOTHT-AVGNSLFASA-N 2 0 255.406 1.350 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000070552016 344829629 /nfs/dbraw/zinc/82/96/29/344829629.db2.gz RJAFPQQHNPWBSW-HZPDHXFCSA-N 2 0 287.407 1.544 10 0 CDAERP C[C@@H](CNC(=O)CC1([NH3+])CCCC1)C[NH+]1CCCC1 ZINC000084186464 178820425 /nfs/dbraw/zinc/82/04/25/178820425.db2.gz RQVLPCOGGHJGPQ-ZDUSSCGKSA-N 2 0 267.417 1.496 10 0 CDAERP CC[N@H+](CC(=O)N1CC[NH+](C)[C@@H](C(C)(C)C)C1)C1CC1 ZINC000640615549 362542794 /nfs/dbraw/zinc/54/27/94/362542794.db2.gz VBBLLBMAOSUZQN-CQSZACIVSA-N 2 0 281.444 1.659 10 0 CDAERP CCN(C(=O)C1C[NH+](C2CCCCC2)C1)[C@@H]1CC[N@H+](C)C1 ZINC000617561866 345855780 /nfs/dbraw/zinc/85/57/80/345855780.db2.gz VMKZUSYURHIGBH-MRXNPFEDSA-N 2 0 293.455 1.804 10 0 CDAERP CC[N@@H+]1CC[C@@H](CN[C@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623361410 346089805 /nfs/dbraw/zinc/08/98/05/346089805.db2.gz ALCZHHMIPRKKGL-KBPBESRZSA-N 2 0 253.434 1.791 10 0 CDAERP OCCN1CCC[C@@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC000384666988 346063968 /nfs/dbraw/zinc/06/39/68/346063968.db2.gz CHHARFACZWQDKE-KZJSRBBCSA-N 2 0 260.381 1.746 10 0 CDAERP C[N@@H+]1CC[C@H](N[C@H]2CC[NH+](CC3CC3)C2)CC1(C)C ZINC000623410195 346249536 /nfs/dbraw/zinc/24/95/36/346249536.db2.gz GCJYTDVSNJIAHC-GJZGRUSLSA-N 2 0 265.445 1.933 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000085363900 179035170 /nfs/dbraw/zinc/03/51/70/179035170.db2.gz MYYOSRQHVSRGCA-UONOGXRCSA-N 2 0 267.417 1.493 10 0 CDAERP CC[C@@H](CO)[N@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000449374724 362673412 /nfs/dbraw/zinc/67/34/12/362673412.db2.gz CECMZUMLGBPSRU-AWEZNQCLSA-N 2 0 274.368 1.778 10 0 CDAERP C[N@H+](CCCNC(=O)[C@H]1CCC[C@@H]1[NH3+])C1CCCCC1 ZINC000085369563 179039391 /nfs/dbraw/zinc/03/93/91/179039391.db2.gz GCAVEKCHISFDBV-GJZGRUSLSA-N 2 0 281.444 1.885 10 0 CDAERP CCNC(=O)[C@@H](C)[N@@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403722 179053035 /nfs/dbraw/zinc/05/30/35/179053035.db2.gz ZNNPYQHARSLCBK-UKRRQHHQSA-N 2 0 281.444 1.755 10 0 CDAERP CC[N@@H+]1CC[C@H](Cn2c3c(nc2C2CC2)C[NH2+]CC3)C1 ZINC000085570488 179096153 /nfs/dbraw/zinc/09/61/53/179096153.db2.gz VVMSTFQZACVKAW-LBPRGKRZSA-N 2 0 274.412 1.748 10 0 CDAERP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000085628640 179106856 /nfs/dbraw/zinc/10/68/56/179106856.db2.gz OJDYOXWFZJMCFQ-UPJWGTAASA-N 2 0 254.418 1.977 10 0 CDAERP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000263308194 362763747 /nfs/dbraw/zinc/76/37/47/362763747.db2.gz YFMFMKHFSVLFPA-FZMZJTMJSA-N 2 0 291.782 1.558 10 0 CDAERP CCc1nc2c(n1[C@H]1CCC[N@@H+](CC)C1)CC[NH2+]C2 ZINC000085572783 179098159 /nfs/dbraw/zinc/09/81/59/179098159.db2.gz VMPPFXPEFMTHCO-LBPRGKRZSA-N 2 0 262.401 1.748 10 0 CDAERP CCCc1nc2c(n1CC(C)(C)[NH+](C)C)CC[NH2+]C2 ZINC000085574097 179099328 /nfs/dbraw/zinc/09/93/28/179099328.db2.gz BVJHRNSUUDUNNP-UHFFFAOYSA-N 2 0 264.417 1.822 10 0 CDAERP C[NH2+]C1CCN(C(=O)[C@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000669521567 482570518 /nfs/dbraw/zinc/57/05/18/482570518.db2.gz HWXGJVCYWSCJRY-CYBMUJFWSA-N 2 0 281.787 1.550 10 0 CDAERP CCC[NH2+][C@@H](CCO)CN(CC[NH+](C)C)CC(C)C ZINC000085922477 179201031 /nfs/dbraw/zinc/20/10/31/179201031.db2.gz XPYWOEMDYOXCIG-HNNXBMFYSA-N 2 0 273.465 1.257 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000336038226 362836026 /nfs/dbraw/zinc/83/60/26/362836026.db2.gz WPXUQXUASGXQSH-NVXWUHKLSA-N 2 0 293.455 1.805 10 0 CDAERP CC[C@@H]1C[NH2+][C@H](C2CC2)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086182600 179248086 /nfs/dbraw/zinc/24/80/86/179248086.db2.gz DFRGWNPWKWLUKW-OWCLPIDISA-N 2 0 263.429 1.543 10 0 CDAERP CC[C@H]1C[NH2+][C@@](C)(CC)CN1C1CC[NH+](C)CC1 ZINC000086217832 179249897 /nfs/dbraw/zinc/24/98/97/179249897.db2.gz XYLCEFMAZSHQKR-ZFWWWQNUSA-N 2 0 253.434 1.933 10 0 CDAERP CC[C@@H]1CN(C[C@@H]2CC[N@H+](C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086223144 179251912 /nfs/dbraw/zinc/25/19/12/179251912.db2.gz RHLJRTQOWDASHW-KFWWJZLASA-N 2 0 253.434 1.647 10 0 CDAERP CO[C@]1(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CCOC1 ZINC000623493124 347603335 /nfs/dbraw/zinc/60/33/35/347603335.db2.gz WLXIIBOQACVRQT-OCCSQVGLSA-N 2 0 256.390 1.254 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)[C@@H]2CCOC2)CC1(C)C ZINC000623511912 347610496 /nfs/dbraw/zinc/61/04/96/347610496.db2.gz LQVQXSZTKQTMOK-RDBSUJKOSA-N 2 0 270.417 1.094 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000414693224 365951467 /nfs/dbraw/zinc/95/14/67/365951467.db2.gz LNCYWWGWRKPTMQ-DCAQKATOSA-N 2 0 268.323 1.747 10 0 CDAERP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000614068321 347993716 /nfs/dbraw/zinc/99/37/16/347993716.db2.gz ZEQURRUORLAIDI-XJKSGUPXSA-N 2 0 299.459 1.068 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCC(C)(C)CO)[C@H]2CCC[C@H]21 ZINC000453286168 290217032 /nfs/dbraw/zinc/21/70/32/290217032.db2.gz XPZVMSPDMGYXDQ-HZSPNIEDSA-N 2 0 254.418 1.857 10 0 CDAERP C[NH+](C)Cc1cccc(NC(=O)N[C@H]2CCC[N@H+](C)C2)c1 ZINC000617924753 349365931 /nfs/dbraw/zinc/36/59/31/349365931.db2.gz KBDQKHMAEIAGNO-HNNXBMFYSA-N 2 0 290.411 1.964 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@@H]1CCCOc2ccccc21 ZINC000629536544 362951365 /nfs/dbraw/zinc/95/13/65/362951365.db2.gz GTXNNZWXISCWRL-CQSZACIVSA-N 2 0 264.369 1.855 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@@H]1CCN[C@@H](c2ccccc2)C1 ZINC000629537141 362952162 /nfs/dbraw/zinc/95/21/62/362952162.db2.gz IEORWPFTPSSFAK-HZPDHXFCSA-N 2 0 277.412 1.435 10 0 CDAERP C[C@H]([NH2+]CCOCCC[NH3+])c1cccc(-n2ccnn2)c1 ZINC000629537377 362952955 /nfs/dbraw/zinc/95/29/55/362952955.db2.gz IOFLDPXOJAADNA-ZDUSSCGKSA-N 2 0 289.383 1.283 10 0 CDAERP C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000106917130 186150974 /nfs/dbraw/zinc/15/09/74/186150974.db2.gz RPLINYJGOULRGC-JKSUJKDBSA-N 2 0 289.423 1.322 10 0 CDAERP C(C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)OC1CCOCC1 ZINC000629543407 362962120 /nfs/dbraw/zinc/96/21/20/362962120.db2.gz AOLMNMNVGRTPSJ-MRXNPFEDSA-N 2 0 296.455 1.894 10 0 CDAERP CC(C)O[C@@H]1C[C@H]([NH2+]CCOCCC[NH3+])C1(C)C ZINC000629535817 362960834 /nfs/dbraw/zinc/96/08/34/362960834.db2.gz DCFFPRDKSIJSNC-QWHCGFSZSA-N 2 0 258.406 1.534 10 0 CDAERP CC(C)CO[C@H]1C[C@@H]([NH2+]CCOCCC[NH3+])C1(C)C ZINC000629541179 362965279 /nfs/dbraw/zinc/96/52/79/362965279.db2.gz XZSFEWXLBFESST-KGLIPLIRSA-N 2 0 272.433 1.781 10 0 CDAERP Cc1noc([C@H]2OCC[C@H]2[NH2+][C@@H](C)CCCC[NH3+])n1 ZINC000629545790 362971715 /nfs/dbraw/zinc/97/17/15/362971715.db2.gz PORFKQLWHAKAFI-WCQGTBRESA-N 2 0 268.361 1.315 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH2+]C(C)C)[C@H](C)C1 ZINC000569744769 363024023 /nfs/dbraw/zinc/02/40/23/363024023.db2.gz LLLROFSVOMAVOK-OLZOCXBDSA-N 2 0 255.406 1.173 10 0 CDAERP C[C@@H](CC(=O)N1CCC([NH+](C)C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000156005112 295825331 /nfs/dbraw/zinc/82/53/31/295825331.db2.gz RNMBGSHNLXUGHP-UONOGXRCSA-N 2 0 281.444 1.565 10 0 CDAERP CN(C[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O)C1CC1 ZINC000314242461 366039439 /nfs/dbraw/zinc/03/94/39/366039439.db2.gz REWWHCJVZPTCCC-NXOAAHMSSA-N 2 0 296.455 1.457 10 0 CDAERP CC[C@@H](CO)[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000436406148 363161130 /nfs/dbraw/zinc/16/11/30/363161130.db2.gz CSHVJQKPJPTKDT-ZDUSSCGKSA-N 2 0 260.341 1.436 10 0 CDAERP [NH3+]C1CCC([NH2+][C@@H]2CC(=O)N(c3ccccc3F)C2)CC1 ZINC000333881917 363203368 /nfs/dbraw/zinc/20/33/68/363203368.db2.gz WIPAKQGUTDRGHQ-WXRRBKDZSA-N 2 0 291.370 1.791 10 0 CDAERP Cn1c2ccc(C[NH2+]CCOCCC[NH3+])cc2sc1=O ZINC000629681767 363331259 /nfs/dbraw/zinc/33/12/59/363331259.db2.gz UJCSZHPFEKKUSJ-UHFFFAOYSA-N 2 0 295.408 1.055 10 0 CDAERP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)COC(C)C)C1 ZINC000644529920 366148890 /nfs/dbraw/zinc/14/88/90/366148890.db2.gz KPKWISBYCMEYLR-KGLIPLIRSA-N 2 0 258.406 1.094 10 0 CDAERP CCC[N@H+](C)CCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001660190555 1172173431 /nfs/dbraw/zinc/17/34/31/1172173431.db2.gz PDKWETLNCOHLNY-CABCVRRESA-N 2 0 281.444 1.851 10 0 CDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCc2cccnc2)CC1 ZINC000172162495 188785443 /nfs/dbraw/zinc/78/54/43/188785443.db2.gz CKDOFYLYBISXCP-HNNXBMFYSA-N 2 0 291.439 1.649 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000233450534 140227533 /nfs/dbraw/zinc/22/75/33/140227533.db2.gz WIQARPZMEVYJQX-AVGNSLFASA-N 2 0 255.406 1.221 10 0 CDAERP C[N@@H+]1CC[C@H](NC[C@@H]2CC[NH+](C3CC3)C2)[C@H]2CCC[C@H]21 ZINC000353462858 283137900 /nfs/dbraw/zinc/13/79/00/283137900.db2.gz PPTRYJVJHGDWHI-PQEBFOHHSA-N 2 0 277.456 1.933 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(CCO)CCOC2)[C@H]2CCC[C@H]21 ZINC000353394734 283138908 /nfs/dbraw/zinc/13/89/08/283138908.db2.gz NTOJDULGENDHLM-QXSJWSMHSA-N 2 0 282.428 1.238 10 0 CDAERP CC[C@@H]1C[N@H+](C)CCCN1c1nc(C)nc(N(C)C)n1 ZINC000631354596 356262044 /nfs/dbraw/zinc/26/20/44/356262044.db2.gz IKVNKLZDYWWMBV-GFCCVEGCSA-N 2 0 278.404 1.167 10 0 CDAERP O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634764882 358501711 /nfs/dbraw/zinc/50/17/11/358501711.db2.gz FCRPPFDCVHMMRI-AYDFFVQHSA-N 2 0 277.412 1.119 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000220013179 283172769 /nfs/dbraw/zinc/17/27/69/283172769.db2.gz KGPPPXPCTJJWKI-CYBMUJFWSA-N 2 0 269.433 1.613 10 0 CDAERP CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000090411781 538441855 /nfs/dbraw/zinc/44/18/55/538441855.db2.gz CDZYJKITMKDPKA-GXTWGEPZSA-N 2 0 282.432 1.110 10 0 CDAERP C[NH+](C)[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1(C)C ZINC000636093725 363494131 /nfs/dbraw/zinc/49/41/31/363494131.db2.gz YPXDJLUIMUAYII-YNEHKIRRSA-N 2 0 267.417 1.316 10 0 CDAERP O=C([C@@H]1C[C@]12CCC[NH2+]C2)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000655450287 538476612 /nfs/dbraw/zinc/47/66/12/538476612.db2.gz IWBZTJPXPNDODW-MPTYRVRUSA-N 2 0 291.439 1.367 10 0 CDAERP CC(C)[NH+](CCCNC(=O)N[C@H]1CCC[N@H+](C)C1)C(C)C ZINC000074857763 538530801 /nfs/dbraw/zinc/53/08/01/538530801.db2.gz RIBSUIDCAVMJTB-HNNXBMFYSA-N 2 0 298.475 1.889 10 0 CDAERP CC(C)(C)OC(=O)N1CCC[N@H+](CCCC[NH3+])CC1 ZINC000037038507 356897449 /nfs/dbraw/zinc/89/74/49/356897449.db2.gz KMUWHXMBBPHJKR-UHFFFAOYSA-N 2 0 271.405 1.668 10 0 CDAERP CC(C)[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000070576108 356899752 /nfs/dbraw/zinc/89/97/52/356899752.db2.gz VIIDVAISJCUZOM-UONOGXRCSA-N 2 0 281.444 1.835 10 0 CDAERP [NH3+]C1CC[NH+](CCSCc2ccccn2)CC1 ZINC000058827265 357412683 /nfs/dbraw/zinc/41/26/83/357412683.db2.gz RTNQJNLQRBUZHN-UHFFFAOYSA-N 2 0 251.399 1.738 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@@H]1C[NH2+]Cc3ccccc31)C2 ZINC000634742460 358190128 /nfs/dbraw/zinc/19/01/28/358190128.db2.gz MKYNOEXWQNJXLL-NXHRZFHOSA-N 2 0 299.418 1.331 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C[C@H]([NH3+])c1ccccc1)C2 ZINC000634743889 358191108 /nfs/dbraw/zinc/19/11/08/358191108.db2.gz IDWOJVGKHRKFSM-BHYGNILZSA-N 2 0 287.407 1.535 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@@H]1CCCC[C@@]1(C)[NH3+])C2 ZINC000634743955 358192234 /nfs/dbraw/zinc/19/22/34/358192234.db2.gz JWIJIBPJDVVJLL-ARLBYUKCSA-N 2 0 279.428 1.352 10 0 CDAERP C[C@H]1C[C@H](NCc2nnc3ccccn32)CC[N@@H+]1C ZINC000127781085 358248331 /nfs/dbraw/zinc/24/83/31/358248331.db2.gz UPAHMHYCSFLEGF-NWDGAFQWSA-N 2 0 259.357 1.302 10 0 CDAERP CC[NH2+]CC1CC[NH+](Cc2nc(C)ccc2O)CC1 ZINC000131491334 358330588 /nfs/dbraw/zinc/33/05/88/358330588.db2.gz SVETZZAWRPNTEY-UHFFFAOYSA-N 2 0 263.385 1.917 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634761799 358430646 /nfs/dbraw/zinc/43/06/46/358430646.db2.gz JJYVKPPYVDGWBG-LBPRGKRZSA-N 2 0 255.406 1.223 10 0 CDAERP CC(C)C[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)[NH+](C)C ZINC000040831298 358763979 /nfs/dbraw/zinc/76/39/79/358763979.db2.gz BFIJPZHACZSZIM-FZKCQIBNSA-N 2 0 295.471 2.000 10 0 CDAERP Cc1ccc([C@H](CNC2=[NH+]CCCN2)N(C)C)cc1 ZINC000261889505 359079116 /nfs/dbraw/zinc/07/91/16/359079116.db2.gz SQGBXHYJOLFJCN-AWEZNQCLSA-N 2 0 260.385 1.537 10 0 CDAERP CC(C)[NH+](CCN[C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)C(C)C ZINC000261903327 359083873 /nfs/dbraw/zinc/08/38/73/359083873.db2.gz HXWPMKATNVNAHA-BRWVUGGUSA-N 2 0 297.487 1.852 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCC[NH+]1CCCCC1 ZINC000078988138 359095514 /nfs/dbraw/zinc/09/55/14/359095514.db2.gz RENNZTNXIANXTE-HNNXBMFYSA-N 2 0 298.475 1.748 10 0 CDAERP CCC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)CCOCC1 ZINC000262029111 359124313 /nfs/dbraw/zinc/12/43/13/359124313.db2.gz XJGDNEAQXZIABC-BZUAXINKSA-N 2 0 296.455 1.940 10 0 CDAERP O=C([C@@H]1CCC[NH2+]1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000037826147 359234671 /nfs/dbraw/zinc/23/46/71/359234671.db2.gz IVDVCZTXFBSQRJ-AWEZNQCLSA-N 2 0 265.401 1.073 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)c1ccc(C[NH3+])cc1)C1CC1 ZINC000237150814 359344316 /nfs/dbraw/zinc/34/43/16/359344316.db2.gz ZOXZBDNIGXREGJ-AWEZNQCLSA-N 2 0 261.369 1.215 10 0 CDAERP C[NH+](C)C[C@@H]1CC[N@H+](CCCCCn2cccn2)C1 ZINC000113512093 359479806 /nfs/dbraw/zinc/47/98/06/359479806.db2.gz BBAAWWKMCVPTIH-HNNXBMFYSA-N 2 0 264.417 1.937 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1COc2ccccc2O1 ZINC000422760397 359654707 /nfs/dbraw/zinc/65/47/07/359654707.db2.gz MASIVRYHJRMZFO-SRVKXCTJSA-N 2 0 250.342 1.542 10 0 CDAERP CC(C)c1noc(CCC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000422932740 359684502 /nfs/dbraw/zinc/68/45/02/359684502.db2.gz GOQZXQWRMYAYDZ-VXGBXAGGSA-N 2 0 266.389 1.843 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(OC(C)C)nc1 ZINC000422978367 359693941 /nfs/dbraw/zinc/69/39/41/359693941.db2.gz ZDYDUNXWTNUYSE-CQSZACIVSA-N 2 0 281.400 1.712 10 0 CDAERP CC(C)[C@H](O)C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422993719 359704973 /nfs/dbraw/zinc/70/49/73/359704973.db2.gz UASDOAPILQSCQN-VHDGCEQUSA-N 2 0 250.386 1.551 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@H](COC)c1ccccc1 ZINC000422954563 359714297 /nfs/dbraw/zinc/71/42/97/359714297.db2.gz JAKBJPCTVQFNSQ-HUUCEWRRSA-N 2 0 266.385 1.718 10 0 CDAERP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422982129 359697306 /nfs/dbraw/zinc/69/73/06/359697306.db2.gz VQTXUMBBRGKNJC-VQHPVUNQSA-N 2 0 298.471 1.920 10 0 CDAERP CO[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)C12CCC2 ZINC000423169724 359755283 /nfs/dbraw/zinc/75/52/83/359755283.db2.gz KIDVBNNCMHZROG-YIYPIFLZSA-N 2 0 252.402 1.922 10 0 CDAERP CCc1ccccc1[C@H]([NH3+])CN[C@H]1C[N@H+](C)C[C@H]1C ZINC000423498279 359823327 /nfs/dbraw/zinc/82/33/27/359823327.db2.gz HWJFSBQQDRQRDD-WQVCFCJDSA-N 2 0 261.413 1.789 10 0 CDAERP O=C(NC[C@@H]1CCC[NH2+]1)NC1CC([NH+]2CCCCC2)C1 ZINC000571657918 366558298 /nfs/dbraw/zinc/55/82/98/366558298.db2.gz QPXKNBLQWJUUBE-HSBZDZAISA-N 2 0 280.416 1.055 10 0 CDAERP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2C[C@H]3C[C@H]3C2)CC[NH2+]CC1 ZINC000424384342 360033447 /nfs/dbraw/zinc/03/34/47/360033447.db2.gz VDCOHDWLGPMRBC-FQUUOJAGSA-N 2 0 280.412 1.696 10 0 CDAERP COC(=O)[C@@H](C1CC1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000088796074 360161774 /nfs/dbraw/zinc/16/17/74/360161774.db2.gz JWMMKXGQDRJWJH-CYBMUJFWSA-N 2 0 254.374 1.212 10 0 CDAERP C[C@H]1C[NH2+]CC[C@@]12C[NH+]=C(N)N2Cc1ccccc1 ZINC000169259986 360162012 /nfs/dbraw/zinc/16/20/12/360162012.db2.gz TXUHXKLIEPBWOI-SWLSCSKDSA-N 2 0 258.369 1.185 10 0 CDAERP [NH3+]C[C@H]1c2ccccc2CCN1C[C@@H]1CCC[NH2+]C1 ZINC000335448088 360195271 /nfs/dbraw/zinc/19/52/71/360195271.db2.gz METJFUMHQIUPAM-CJNGLKHVSA-N 2 0 259.397 1.544 10 0 CDAERP C[C@]1(C[NH2+]CCCC[NH+]2CCOCC2)CCCS1 ZINC000628203279 360252590 /nfs/dbraw/zinc/25/25/90/360252590.db2.gz AWESNDPLLUXPCZ-CQSZACIVSA-N 2 0 272.458 1.974 10 0 CDAERP CC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)COC1 ZINC000094722007 360318176 /nfs/dbraw/zinc/31/81/76/360318176.db2.gz RTUJVQTVEHGCCA-HZSPNIEDSA-N 2 0 252.402 1.923 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000337705260 360358977 /nfs/dbraw/zinc/35/89/77/360358977.db2.gz ZNSUGCMLEMZTBE-GFCCVEGCSA-N 2 0 265.401 1.071 10 0 CDAERP [NH3+]C1(CNC(=O)NCC2CC[NH2+]CC2)CCCCCC1 ZINC000515004817 360420006 /nfs/dbraw/zinc/42/00/06/360420006.db2.gz KPXDJECAEWRXKF-UHFFFAOYSA-N 2 0 282.432 1.337 10 0 CDAERP C[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)[C@@H]1CCC[NH2+]C1 ZINC000635010494 360654186 /nfs/dbraw/zinc/65/41/86/360654186.db2.gz MOMIDRXHMSDWPF-ZIAGYGMSSA-N 3 0 273.424 1.810 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000626947012 360684949 /nfs/dbraw/zinc/68/49/49/360684949.db2.gz IUAHBCKYDMUUDQ-CBBWQLFWSA-N 2 0 296.459 1.547 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000431503879 360992639 /nfs/dbraw/zinc/99/26/39/360992639.db2.gz CAZPHFKVMINXSG-HNNXBMFYSA-N 2 0 293.455 1.994 10 0 CDAERP CCN1CC[C@H]([N@H+](C)C[C@H]2CCS(=O)(=O)C2)[C@H](C)C1 ZINC000434481807 361329890 /nfs/dbraw/zinc/32/98/90/361329890.db2.gz HXLYFIKEVOPXGA-MCIONIFRSA-N 2 0 288.457 1.083 10 0 CDAERP C[NH+]1CCC(CC(=O)NCC[N@@H+]2CCCC2(C)C)CC1 ZINC000457047209 363881135 /nfs/dbraw/zinc/88/11/35/363881135.db2.gz CDRDGIBZARXNHK-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CCOCC[N@@H+]1CCN(C(=O)CC[C@H](C)[NH3+])C[C@H]1CC ZINC000248863930 364311038 /nfs/dbraw/zinc/31/10/38/364311038.db2.gz MQNKOHQPJKSEGB-UONOGXRCSA-N 2 0 285.432 1.073 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(C)CC[NH+]1CCCCC1 ZINC000175346524 364389536 /nfs/dbraw/zinc/38/95/36/364389536.db2.gz WYXANXZWLVVNOR-HNNXBMFYSA-N 2 0 253.434 1.888 10 0 CDAERP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCC[NH+]1CCCCCC1 ZINC000377558589 364859244 /nfs/dbraw/zinc/85/92/44/364859244.db2.gz AAXOPZIAVTWPSD-ZIAGYGMSSA-N 2 0 267.417 1.367 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CCC[C@@H]1O ZINC000631251129 364830894 /nfs/dbraw/zinc/83/08/94/364830894.db2.gz JPOFEGBWUOFDCB-GJZGRUSLSA-N 2 0 272.352 1.579 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)[C@H]2CCC[C@@H]21 ZINC000643349447 364846631 /nfs/dbraw/zinc/84/66/31/364846631.db2.gz LINNONPRDSZRFO-SUJAAXHWSA-N 2 0 293.455 1.741 10 0 CDAERP C[C@H](CO)CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353620374 365338009 /nfs/dbraw/zinc/33/80/09/365338009.db2.gz JSZYKHFCFIXFBZ-BYNSBNAKSA-N 2 0 254.418 1.857 10 0 CDAERP CC[C@H](O)CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353629874 365343074 /nfs/dbraw/zinc/34/30/74/365343074.db2.gz GLFIYUVZCRHQNA-GBJTYRQASA-N 2 0 254.418 2.000 10 0 CDAERP C[NH2+]C[C@](C)(O)C[N@@H+]1CCCC[C@H](CCOC)C1 ZINC000570575540 294264866 /nfs/dbraw/zinc/26/48/66/294264866.db2.gz VEDAJMWQTUGLGL-KGLIPLIRSA-N 2 0 258.406 1.095 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)C[C@H]([NH3+])C(C)C)C1 ZINC000136459963 482919339 /nfs/dbraw/zinc/91/93/39/482919339.db2.gz OEKFQTMAKRIKJH-OLZOCXBDSA-N 2 0 255.406 1.303 10 0 CDAERP CC[N@@H+](Cc1cn(C)nn1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414736918 241356717 /nfs/dbraw/zinc/35/67/17/241356717.db2.gz GWOPKOREICDWPH-VXGBXAGGSA-N 2 0 251.378 1.025 10 0 CDAERP [NH3+]CCC[NH+]1CCC(NC(=O)CC2CCCC2)CC1 ZINC000414749715 241366388 /nfs/dbraw/zinc/36/63/88/241366388.db2.gz YQXMXYQDAOSXTI-UHFFFAOYSA-N 2 0 267.417 1.496 10 0 CDAERP Cc1nccc(N2CC[NH+](C[C@@H]3CC[NH2+][C@H](C)C3)CC2)n1 ZINC000414704215 241339282 /nfs/dbraw/zinc/33/92/82/241339282.db2.gz CZFZHHIETFIQOR-UKRRQHHQSA-N 2 0 289.427 1.295 10 0 CDAERP Cc1cc(C)n2c(C[NH2+][C@H]3CCCC[C@@H]3C[NH3+])cnc2n1 ZINC000414799149 241393212 /nfs/dbraw/zinc/39/32/12/241393212.db2.gz JTABUMMXLIAOKG-HIFRSBDPSA-N 2 0 287.411 1.953 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000626969740 367106114 /nfs/dbraw/zinc/10/61/14/367106114.db2.gz FJSVWVCHYBKFGF-ILXRZTDVSA-N 2 0 296.459 1.547 10 0 CDAERP Cc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)ccc1-n1cncn1 ZINC000414964345 241486942 /nfs/dbraw/zinc/48/69/42/241486942.db2.gz UWVPGNLECAWLTM-UKRRQHHQSA-N 2 0 285.395 1.663 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000626987199 367152859 /nfs/dbraw/zinc/15/28/59/367152859.db2.gz AABWGWZWSAKGTF-DZGCQCFKSA-N 2 0 296.459 1.548 10 0 CDAERP Cc1nn(C)c(C)c1C[C@H](C)[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415101596 241570511 /nfs/dbraw/zinc/57/05/11/241570511.db2.gz IWODHUXMKYORRM-TYNCELHUSA-N 2 0 278.444 1.946 10 0 CDAERP C[NH2+]C[C@H](C)C[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000414843068 367194920 /nfs/dbraw/zinc/19/49/20/367194920.db2.gz PNUWDQHUBMFPPC-NSHDSACASA-N 2 0 264.398 1.879 10 0 CDAERP C[C@H](NC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)C(C)(C)C[NH+](C)C ZINC000626996855 367217626 /nfs/dbraw/zinc/21/76/26/367217626.db2.gz HAFASMNBBMRZPR-FRRDWIJNSA-N 2 0 284.448 1.402 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000627020530 367243974 /nfs/dbraw/zinc/24/39/74/367243974.db2.gz IJACSSUTMUBJRO-QLFBSQMISA-N 2 0 294.443 1.443 10 0 CDAERP c1cn(CC[NH+]2CCC(C[NH+]3CCCC3)CC2)cn1 ZINC000122585764 370861475 /nfs/dbraw/zinc/86/14/75/370861475.db2.gz SDHNUAKSVGKABI-UHFFFAOYSA-N 2 0 262.401 1.691 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000227807923 367428985 /nfs/dbraw/zinc/42/89/85/367428985.db2.gz UMXHZZBSIFCJLR-BFHYXJOUSA-N 2 0 265.401 1.201 10 0 CDAERP C[C@H]1CN(C)C[C@H]1[NH2+]CCNC(=O)c1c(F)cccc1F ZINC000358139670 367464205 /nfs/dbraw/zinc/46/42/05/367464205.db2.gz KVXFBXIDWPJVRR-GXFFZTMASA-N 2 0 297.349 1.234 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)CC[N@@H+]1C ZINC000630084551 367526754 /nfs/dbraw/zinc/52/67/54/367526754.db2.gz WOKZEYMWQUUMAG-REWJHTLYSA-N 2 0 281.444 1.562 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000627166648 367599486 /nfs/dbraw/zinc/59/94/86/367599486.db2.gz HYQHXFXHCBMFHQ-SOUVJXGZSA-N 2 0 296.459 1.643 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000627164278 367595485 /nfs/dbraw/zinc/59/54/85/367595485.db2.gz KWJGXDNDGQKRID-QWHCGFSZSA-N 2 0 282.432 1.158 10 0 CDAERP CC[NH+](CC)Cc1ccccc1CNC(=O)NCCC[NH3+] ZINC000416894797 242214855 /nfs/dbraw/zinc/21/48/55/242214855.db2.gz RKHXKHULIZHTRO-UHFFFAOYSA-N 2 0 292.427 1.676 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000417387087 242450441 /nfs/dbraw/zinc/45/04/41/242450441.db2.gz GYVZVWYYTZVDPV-CABCVRRESA-N 2 0 296.459 1.535 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000417389459 242451262 /nfs/dbraw/zinc/45/12/62/242451262.db2.gz KCEDJADCEVYKCT-CQSZACIVSA-N 2 0 296.459 1.407 10 0 CDAERP CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627199422 367688466 /nfs/dbraw/zinc/68/84/66/367688466.db2.gz XDMPAXDMUKAZNL-GXTWGEPZSA-N 2 0 282.432 1.299 10 0 CDAERP CC[NH2+]CC1CCN(C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627207980 367709910 /nfs/dbraw/zinc/70/99/10/367709910.db2.gz VFTCPPSNJICQFA-TZMCWYRMSA-N 2 0 282.432 1.158 10 0 CDAERP COC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000449505681 284000563 /nfs/dbraw/zinc/00/05/63/284000563.db2.gz BMXBJDBHUKNVPA-XQLPTFJDSA-N 2 0 280.412 1.935 10 0 CDAERP [NH3+][C@@H]1CC=C(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000638076474 368086536 /nfs/dbraw/zinc/08/65/36/368086536.db2.gz YIMQRRMSIZUOIR-KGLIPLIRSA-N 2 0 263.385 1.121 10 0 CDAERP CCOCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)CC ZINC001661270911 1172361776 /nfs/dbraw/zinc/36/17/76/1172361776.db2.gz JKBRXAPTPPWDKD-GASCZTMLSA-N 2 0 297.443 1.040 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC(C)(C)[NH3+])[C@H](C)C1 ZINC000418425661 243061276 /nfs/dbraw/zinc/06/12/76/243061276.db2.gz IUBGGYSOOAJMED-VXGBXAGGSA-N 2 0 270.421 1.095 10 0 CDAERP CCCC[C@H](C[NH3+])NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418444048 243084914 /nfs/dbraw/zinc/08/49/14/243084914.db2.gz LYFNUMRCXIJDNU-RBKKPWLPSA-N 2 0 282.432 1.428 10 0 CDAERP C[C@@H](NC(=O)NCc1ccc([C@H](C)[NH3+])cc1)[C@H](C)[NH3+] ZINC000418463230 243107380 /nfs/dbraw/zinc/10/73/80/243107380.db2.gz OAXRNJPFSJURFS-GARJFASQSA-N 2 0 264.373 1.241 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)N(C)C2CC([NH3+])C2)cc1 ZINC000418465215 243110046 /nfs/dbraw/zinc/11/00/46/243110046.db2.gz QMLFTTNQURKMGP-FNBIGBAISA-N 2 0 276.384 1.337 10 0 CDAERP [NH3+][C@@H]1CC=C(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000638117156 368475642 /nfs/dbraw/zinc/47/56/42/368475642.db2.gz JPNQEXNSYMXAGI-SJORKVTESA-N 2 0 299.418 1.815 10 0 CDAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418599913 243259734 /nfs/dbraw/zinc/25/97/34/243259734.db2.gz RUVBNIXUAXPVMC-XUXIUFHCSA-N 2 0 282.432 1.049 10 0 CDAERP C[C@@H]([NH2+]CCCN1CCCC1=O)[C@@H]1CCCC[NH2+]1 ZINC000422756331 296122574 /nfs/dbraw/zinc/12/25/74/296122574.db2.gz CDTHGXMJOZLKPH-OLZOCXBDSA-N 2 0 253.390 1.119 10 0 CDAERP CCCN(CC[NH+](CC)CC)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000418703178 243356110 /nfs/dbraw/zinc/35/61/10/243356110.db2.gz HIXBHJXTHCGYBJ-QWHCGFSZSA-N 2 0 272.437 1.486 10 0 CDAERP COC(=O)c1ccc(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)nc1 ZINC000286421209 368824648 /nfs/dbraw/zinc/82/46/48/368824648.db2.gz MKEKBSZSLUFLFJ-DOMZBBRYSA-N 2 0 291.395 1.783 10 0 CDAERP C[C@H](CCCC[NH3+])NC(=O)C12CCC[NH+](CCC1)C2 ZINC000638242240 368837090 /nfs/dbraw/zinc/83/70/90/368837090.db2.gz NERDEDUBLVORMI-CYBMUJFWSA-N 2 0 267.417 1.496 10 0 CDAERP COC(=O)CCC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420384394 244181175 /nfs/dbraw/zinc/18/11/75/244181175.db2.gz DQRPLSYLVGEAOU-QWHCGFSZSA-N 2 0 254.374 1.404 10 0 CDAERP C[C@H](CC[NH3+])[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000414901544 369559328 /nfs/dbraw/zinc/55/93/28/369559328.db2.gz XFFGTKVJRPJOGR-SECBINFHSA-N 2 0 265.382 1.427 10 0 CDAERP CO[C@H](C[NH2+]C[C@H](O)CN1CCCCC1)C1CCCC1 ZINC000638412762 369894295 /nfs/dbraw/zinc/89/42/95/369894295.db2.gz SPUSEVYESIBQNM-JKSUJKDBSA-N 2 0 284.444 1.628 10 0 CDAERP CCC(C)(C)NC(=O)CN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000118842985 369902554 /nfs/dbraw/zinc/90/25/54/369902554.db2.gz BBUWBTVRTLMKNN-ZDUSSCGKSA-N 2 0 269.433 1.565 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)OC(C)C)[C@H](C)C1 ZINC000081095692 369932829 /nfs/dbraw/zinc/93/28/29/369932829.db2.gz VQGMBOZIUJKQPD-KGLIPLIRSA-N 2 0 270.417 1.990 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000248888639 370110167 /nfs/dbraw/zinc/11/01/67/370110167.db2.gz VOMTYVYVYXRXBC-LZWOXQAQSA-N 2 0 289.423 1.893 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000582299802 370243916 /nfs/dbraw/zinc/24/39/16/370243916.db2.gz IHSKUTGXAJUVMQ-FEPKRQSRSA-N 2 0 282.432 1.428 10 0 CDAERP CC[C@@H](C)[NH2+][C@@H](CNC(=O)NCCC[NH3+])c1ccco1 ZINC000418170040 370257645 /nfs/dbraw/zinc/25/76/45/370257645.db2.gz RBWDPORXFYDORI-NEPJUHHUSA-N 2 0 282.388 1.357 10 0 CDAERP [NH3+]C1CCC(OCc2nc(C3([NH3+])CCC3)no2)CC1 ZINC000565362345 370429017 /nfs/dbraw/zinc/42/90/17/370429017.db2.gz BPEOZBUTMIYULO-UHFFFAOYSA-N 2 0 266.345 1.194 10 0 CDAERP Nc1nccc([C@H]2CCC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)n1 ZINC000565412073 370440291 /nfs/dbraw/zinc/44/02/91/370440291.db2.gz GLDRLKVMDVRKPT-STQMWFEESA-N 2 0 275.400 1.068 10 0 CDAERP [NH3+]CC1(CCNC(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000652133376 412785095 /nfs/dbraw/zinc/78/50/95/412785095.db2.gz OTDSTULZAKLTBD-UHFFFAOYSA-N 2 0 294.443 1.289 10 0 CDAERP CC[NH+]1CCC(CC[NH2+][C@H](C)C[C@@H]2COCCN2)CC1 ZINC000422781364 245250068 /nfs/dbraw/zinc/25/00/68/245250068.db2.gz IQKYKKRQLJYVSL-GDBMZVCRSA-N 2 0 283.460 1.465 10 0 CDAERP CCC[C@H](C(=O)N1CC[C@@H](C[NH+](CC)CC)C1)[NH+](C)C ZINC000122844025 371106189 /nfs/dbraw/zinc/10/61/89/371106189.db2.gz ISCTYVRBDGHAFB-LSDHHAIUSA-N 2 0 283.460 1.907 10 0 CDAERP C[C@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1)C1C[NH2+]C1 ZINC000422867811 245354259 /nfs/dbraw/zinc/35/42/59/245354259.db2.gz TTYNBDNYTTZYNS-JQWIXIFHSA-N 2 0 281.350 1.741 10 0 CDAERP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CC1(O)Cc2ccccc2C1 ZINC000573475906 371555405 /nfs/dbraw/zinc/55/54/05/371555405.db2.gz CBFHXCUCVLQUKE-CABCVRRESA-N 2 0 260.381 1.233 10 0 CDAERP COc1cccc(N2CC[C@H](C[NH2+][C@H]3CCC[C@H]3[NH3+])C2)c1 ZINC000422906783 245390598 /nfs/dbraw/zinc/39/05/98/245390598.db2.gz VRZZTAKOQUDTAS-XYPHTWIQSA-N 2 0 289.423 1.991 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+]2CCC[C@H](C)C2)C1 ZINC000575205220 371779838 /nfs/dbraw/zinc/77/98/38/371779838.db2.gz QJUVMIJXTGQNOE-UONOGXRCSA-N 2 0 267.417 1.176 10 0 CDAERP Cc1cc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)ncn1 ZINC000298346234 372082900 /nfs/dbraw/zinc/08/29/00/372082900.db2.gz SQPSTROKFCNELB-UHFFFAOYSA-N 2 0 279.432 1.100 10 0 CDAERP COc1coc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1=O ZINC000577850862 372142443 /nfs/dbraw/zinc/14/24/43/372142443.db2.gz PTPYYMFDMRMBSK-TXEJJXNPSA-N 2 0 278.352 1.080 10 0 CDAERP CC[NH+](CC)[C@@H](C)CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171038340 372164663 /nfs/dbraw/zinc/16/46/63/372164663.db2.gz AXXNTSLYWLAWQD-GJZGRUSLSA-N 2 0 296.459 1.596 10 0 CDAERP CC[NH2+][C@H](C)CNC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000578191018 372337648 /nfs/dbraw/zinc/33/76/48/372337648.db2.gz MUAXUAGCILRWKH-DOMZBBRYSA-N 2 0 290.411 1.252 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CC[C@H]1CCO[C@H](C)C1 ZINC000423036674 245516351 /nfs/dbraw/zinc/51/63/51/245516351.db2.gz UNNQGPRDPKWOTB-RDBSUJKOSA-N 2 0 258.406 1.535 10 0 CDAERP Cc1nn(C)c(C)c1CCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000581141851 372851774 /nfs/dbraw/zinc/85/17/74/372851774.db2.gz FINGUDVVYPMMBK-KBPBESRZSA-N 2 0 264.417 1.829 10 0 CDAERP C[NH+](C)C1CCC(NC(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000333282541 205183178 /nfs/dbraw/zinc/18/31/78/205183178.db2.gz MSVZUCKEFQSTKQ-MOKVOYLWSA-N 2 0 282.432 1.301 10 0 CDAERP CC(C)[NH2+]CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000581486772 373035186 /nfs/dbraw/zinc/03/51/86/373035186.db2.gz BHKCCAQVNJPZDC-CABCVRRESA-N 2 0 281.444 1.848 10 0 CDAERP CC[C@H](Cn1cncn1)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000423276944 245706742 /nfs/dbraw/zinc/70/67/42/245706742.db2.gz NPVKDSUJGDOFAT-XQQFMLRXSA-N 2 0 251.378 1.164 10 0 CDAERP CC[NH+]1CCN([C@@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000192670355 373627484 /nfs/dbraw/zinc/62/74/84/373627484.db2.gz JBFKKGYUCPNATI-XYTVBORESA-N 3 0 294.487 1.227 10 0 CDAERP C[C@H]1C[N@H+](CCc2ccc3c(c2)CCO3)C[C@@H]1C[NH3+] ZINC000631839931 373785751 /nfs/dbraw/zinc/78/57/51/373785751.db2.gz MNSSNJUYLBJUIC-WFASDCNBSA-N 2 0 260.381 1.691 10 0 CDAERP C[C@H]1CC[NH2+]C[C@H]1Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000643469240 374008946 /nfs/dbraw/zinc/00/89/46/374008946.db2.gz BTVYNRVQJCGFBC-SMDDNHRTSA-N 2 0 257.341 1.677 10 0 CDAERP c1nn(-c2cc[nH+]cc2)cc1N[C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000643469222 374009151 /nfs/dbraw/zinc/00/91/51/374009151.db2.gz BCFJWGNWBVAYFT-HZPDHXFCSA-N 2 0 299.378 1.446 10 0 CDAERP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)C1 ZINC000300268557 541901642 /nfs/dbraw/zinc/90/16/42/541901642.db2.gz RSQAAWHHPIUGHG-BRWVUGGUSA-N 2 0 297.487 1.806 10 0 CDAERP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCCC1(C[NH3+])CC1 ZINC000652232348 541924108 /nfs/dbraw/zinc/92/41/08/541924108.db2.gz XXEATBDLCYRGBR-GFCCVEGCSA-N 2 0 270.421 1.130 10 0 CDAERP CC(C)(CNC(=O)[C@@H]1CCC[NH2+]1)[NH+]1CCCCC1 ZINC000011954497 374474756 /nfs/dbraw/zinc/47/47/56/374474756.db2.gz NUPFFWUVKQOEBR-LBPRGKRZSA-N 2 0 253.390 1.119 10 0 CDAERP CC(C)[NH+]1CCC([NH2+][C@H]2CCc3nc[nH]c3C2)CC1 ZINC000334219568 374572817 /nfs/dbraw/zinc/57/28/17/374572817.db2.gz ZIYFYGWYIVLNTE-ZDUSSCGKSA-N 2 0 262.401 1.729 10 0 CDAERP COc1ccc(C[C@H](C)[NH2+]CCC[NH3+])cc1OC ZINC000037713495 374595313 /nfs/dbraw/zinc/59/53/13/374595313.db2.gz CPHQEFGULFWCHH-NSHDSACASA-N 2 0 252.358 1.573 10 0 CDAERP CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@H](O)C[NH+]3CCCC3)C[C@H]2C1 ZINC000424269315 246411746 /nfs/dbraw/zinc/41/17/46/246411746.db2.gz PDYOCERXZPTZLK-CQJMVSDSSA-N 2 0 282.428 1.236 10 0 CDAERP C[C@@H]1C[C@H](N(C)CC[NH+]2CCCCC2)CC[N@@H+]1C ZINC000123624460 374700279 /nfs/dbraw/zinc/70/02/79/374700279.db2.gz QVMSWXBLFTXOFR-HUUCEWRRSA-N 2 0 253.434 1.887 10 0 CDAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CCN(C)C(=O)C1 ZINC000424388776 246468775 /nfs/dbraw/zinc/46/87/75/246468775.db2.gz ZPPHNBHTXMZXOU-ILXRZTDVSA-N 2 0 281.444 1.755 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000126655553 375014610 /nfs/dbraw/zinc/01/46/10/375014610.db2.gz IDIHCIQRGRBLLH-MJBXVCDLSA-N 2 0 296.459 1.641 10 0 CDAERP C[C@@H]1c2ccccc2C[N@H+]1CCC(=O)N1CCN(C)CC1 ZINC000334424785 375351467 /nfs/dbraw/zinc/35/14/67/375351467.db2.gz TYNXUKYLIRNLHM-CQSZACIVSA-N 2 0 287.407 1.727 10 0 CDAERP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H](C)C[NH+](C)C ZINC000415931849 375496783 /nfs/dbraw/zinc/49/67/83/375496783.db2.gz MXBGUZBFAZFUNU-LBPRGKRZSA-N 2 0 278.400 1.868 10 0 CDAERP Cc1cc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)ncn1 ZINC000428360228 247286331 /nfs/dbraw/zinc/28/63/31/247286331.db2.gz CEWVNZPKNQHBOK-OWCLPIDISA-N 2 0 290.411 1.469 10 0 CDAERP C[C@@H](CNC(=O)N1CC[C@H]([NH3+])[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000417310773 375760386 /nfs/dbraw/zinc/76/03/86/375760386.db2.gz KUOHJHWAOAPQSO-IHRRRGAJSA-N 2 0 282.432 1.238 10 0 CDAERP Cc1cc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)ncn1 ZINC000428360225 247286867 /nfs/dbraw/zinc/28/68/67/247286867.db2.gz CEWVNZPKNQHBOK-BZUAXINKSA-N 2 0 290.411 1.469 10 0 CDAERP c1ccc(C[N@@H+]2CC[C@@H]3CN([C@@H]4CC[NH2+]C4)C[C@@H]3C2)cc1 ZINC000307303203 375829344 /nfs/dbraw/zinc/82/93/44/375829344.db2.gz FRRILWLMVNOTEQ-FGTMMUONSA-N 2 0 285.435 1.802 10 0 CDAERP Cc1cccc(NC(=O)C[NH+]2CCC(CC[NH3+])CC2)c1 ZINC000070188190 375830305 /nfs/dbraw/zinc/83/03/05/375830305.db2.gz GIHMRCWGFZBSGB-UHFFFAOYSA-N 2 0 275.396 1.994 10 0 CDAERP C[C@@H](C(=O)N1CC[NH+]2CCC[C@H]2C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245202841 376025357 /nfs/dbraw/zinc/02/53/57/376025357.db2.gz WHWIHCGSNFUERY-XGUBFFRZSA-N 2 0 279.428 1.554 10 0 CDAERP C[N@@H+]1CCC[C@@H]2CN(CCC[NH+]3CCCC3)CC[C@H]21 ZINC000245582498 376098522 /nfs/dbraw/zinc/09/85/22/376098522.db2.gz CZFRKZLMOIWFRE-HZPDHXFCSA-N 2 0 265.445 1.888 10 0 CDAERP C[NH+](C)CCOCC[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000433345092 248024716 /nfs/dbraw/zinc/02/47/16/248024716.db2.gz VNKGSLZQZWZUND-UHFFFAOYSA-N 2 0 278.356 1.338 10 0 CDAERP CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H](C)[C@H](C)[NH3+])c1 ZINC000417414029 377020224 /nfs/dbraw/zinc/02/02/24/377020224.db2.gz YAYUTDAHCJOVTB-STQMWFEESA-N 2 0 292.427 1.673 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000070317947 377033079 /nfs/dbraw/zinc/03/30/79/377033079.db2.gz SOJWESMGMOTOPD-GFCCVEGCSA-N 2 0 253.390 1.201 10 0 CDAERP CC[NH+](CC)CCNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247409243 377112766 /nfs/dbraw/zinc/11/27/66/377112766.db2.gz PZHMXUPUPDHRIS-KGLIPLIRSA-N 2 0 282.432 1.206 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000417448342 377208053 /nfs/dbraw/zinc/20/80/53/377208053.db2.gz UFPVZOFWHFISFB-MCIONIFRSA-N 2 0 282.432 1.253 10 0 CDAERP O[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251101423 377558973 /nfs/dbraw/zinc/55/89/73/377558973.db2.gz JZIPSUSHOBLTSK-APIJFGDWSA-N 2 0 252.402 1.754 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC2CCC([NH+](C)C)CC2)C1 ZINC000572016268 377650518 /nfs/dbraw/zinc/65/05/18/377650518.db2.gz VAFNTULJVLWKTG-HSBZDZAISA-N 2 0 267.417 1.317 10 0 CDAERP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000334926040 377691741 /nfs/dbraw/zinc/69/17/41/377691741.db2.gz WFOFTCFRUKPZFO-ZUJMUWTESA-N 2 0 296.459 1.499 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCC1([NH3+])CCCCCC1 ZINC000334936636 377705963 /nfs/dbraw/zinc/70/59/63/377705963.db2.gz SBCSHCXQJRINSN-RYUDHWBXSA-N 2 0 268.405 1.169 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)CC[NH2+]1 ZINC000417532730 377865384 /nfs/dbraw/zinc/86/53/84/377865384.db2.gz LQGKJOSEDRURKZ-APIJFGDWSA-N 2 0 296.459 1.689 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000417538156 377928288 /nfs/dbraw/zinc/92/82/88/377928288.db2.gz TVQLNLCZUMDIFA-LXTVHRRPSA-N 2 0 296.459 1.676 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(C2)CCC[NH+](C)C3)CC[N@@H+]1C ZINC000633205287 378205036 /nfs/dbraw/zinc/20/50/36/378205036.db2.gz BPQZFOUHOVIUMQ-UXLLHSPISA-N 2 0 293.455 1.661 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000193316643 378273738 /nfs/dbraw/zinc/27/37/38/378273738.db2.gz KGNXRAJEXJZQNG-RYUDHWBXSA-N 2 0 257.422 1.596 10 0 CDAERP CC[NH+](CC)CCCN1CC[C@@H](c2nnc[nH]2)C1 ZINC000425547213 378363737 /nfs/dbraw/zinc/36/37/37/378363737.db2.gz LOSICFRVDNWELC-GFCCVEGCSA-N 2 0 251.378 1.326 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCc2ccc3c[nH+]cn3c2)CC[N@@H+]1C ZINC000633396087 378400801 /nfs/dbraw/zinc/40/08/01/378400801.db2.gz QHDHYHIYKBHZAM-LSDHHAIUSA-N 2 0 286.379 1.681 10 0 CDAERP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCC[NH+](C)C1 ZINC000634142461 379079819 /nfs/dbraw/zinc/07/98/19/379079819.db2.gz HXEKMIQBUOTZHX-OLZOCXBDSA-N 2 0 270.421 1.109 10 0 CDAERP C[C@H]1C[C@@H](N(C)C(=O)NCC2([NH+](C)C)CCC2)CC[N@@H+]1C ZINC000446621881 250304101 /nfs/dbraw/zinc/30/41/01/250304101.db2.gz DCSZKBKTEMMGAX-KBPBESRZSA-N 2 0 296.459 1.595 10 0 CDAERP Cc1ncc(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cn1 ZINC000344379744 379606112 /nfs/dbraw/zinc/60/61/12/379606112.db2.gz ITMWTFHGQWCDSW-HNNXBMFYSA-N 2 0 278.400 1.112 10 0 CDAERP CN(CCC[NH+]1CCCC1)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655928534 412934845 /nfs/dbraw/zinc/93/48/45/412934845.db2.gz OBYNMHLQGQXSDU-SNVBAGLBSA-N 2 0 296.337 1.003 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001662729235 1172586507 /nfs/dbraw/zinc/58/65/07/1172586507.db2.gz ZBIWBQCKKNYDJI-OAHLLOKOSA-N 2 0 283.460 1.811 10 0 CDAERP Cn1ccnc1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000657612983 412940108 /nfs/dbraw/zinc/94/01/08/412940108.db2.gz SMBYMZDDNXGFEG-UHFFFAOYSA-N 2 0 299.422 1.817 10 0 CDAERP CC[C@H]1C[N@H+](CC)CCN1C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655932547 412947574 /nfs/dbraw/zinc/94/75/74/412947574.db2.gz XFNGOTKSUUXDJS-UWVGGRQHSA-N 2 0 296.337 1.002 10 0 CDAERP CC[NH2+]CCCNC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662398842 412961739 /nfs/dbraw/zinc/96/17/39/412961739.db2.gz DLCNLMVSWNYIGV-AWEZNQCLSA-N 2 0 261.369 1.337 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCC2([NH3+])CCCCC2)C1 ZINC000655961682 412964016 /nfs/dbraw/zinc/96/40/16/412964016.db2.gz YBDFOHDYSFZRMK-BETUJISGSA-N 2 0 282.432 1.287 10 0 CDAERP C[NH+](C)CC1(C(=O)NCC(C)(C)[NH+](C)C)CCCCC1 ZINC000493542061 253488385 /nfs/dbraw/zinc/48/83/85/253488385.db2.gz IEUJRHUGINZWCX-UHFFFAOYSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)CC[N@@H+]1C ZINC000505635329 254091705 /nfs/dbraw/zinc/09/17/05/254091705.db2.gz OFONXYMXBGESRA-YQQAZPJKSA-N 2 0 293.455 1.661 10 0 CDAERP C[C@@H](C[NH+](C)C)NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000512408696 254111736 /nfs/dbraw/zinc/11/17/36/254111736.db2.gz AHWNHJKZUYWRBH-XQQFMLRXSA-N 2 0 270.421 1.061 10 0 CDAERP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)o1 ZINC000647084902 390394797 /nfs/dbraw/zinc/39/47/97/390394797.db2.gz OIGRTSJGBMUNFQ-DGCLKSJQSA-N 2 0 279.384 1.541 10 0 CDAERP CC(C)[N@@H+]1CCCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000336277100 390550096 /nfs/dbraw/zinc/55/00/96/390550096.db2.gz XYRLEYYJXWIKJM-UONOGXRCSA-N 2 0 267.417 1.447 10 0 CDAERP c1nc2c(n1Cc1nc([C@@H]3CCC[NH2+]3)no1)CCCC2 ZINC000647145664 390561099 /nfs/dbraw/zinc/56/10/99/390561099.db2.gz BIHADWAXUYYQMP-NSHDSACASA-N 2 0 273.340 1.618 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)[NH3+])[C@H](C)C1 ZINC000418425658 285386753 /nfs/dbraw/zinc/38/67/53/285386753.db2.gz IUBGGYSOOAJMED-NEPJUHHUSA-N 2 0 270.421 1.095 10 0 CDAERP CN(C)c1nccc(N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000131003662 390868532 /nfs/dbraw/zinc/86/85/32/390868532.db2.gz KYWFAFHCVOUDRL-TUAOUCFPSA-N 2 0 261.373 1.106 10 0 CDAERP O=C(N[C@H]1CC[NH2+]C12CCCC2)c1ccc2c(c1)C[NH2+]C2 ZINC000648210199 390952955 /nfs/dbraw/zinc/95/29/55/390952955.db2.gz MIHPCRZADRSUPS-HNNXBMFYSA-N 2 0 285.391 1.694 10 0 CDAERP CC[C@]1(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH2+]C1 ZINC000363511738 390927941 /nfs/dbraw/zinc/92/79/41/390927941.db2.gz OLSIAMJDBSLHEF-GUTXKFCHSA-N 2 0 267.417 1.317 10 0 CDAERP COC[C@H](C)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647542855 390985026 /nfs/dbraw/zinc/98/50/26/390985026.db2.gz CTIYTCRVYRQXCQ-QLFBSQMISA-N 2 0 254.418 1.981 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCC(=O)N2CCCCC2)[C@H]2CCC[C@H]21 ZINC000367625304 390997026 /nfs/dbraw/zinc/99/70/26/390997026.db2.gz LCXQZLLECLYSOQ-OWCLPIDISA-N 2 0 293.455 1.851 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)CC1 ZINC000417753566 391032427 /nfs/dbraw/zinc/03/24/27/391032427.db2.gz UIFXOZJGCRKVKG-UKRRQHHQSA-N 2 0 296.459 1.487 10 0 CDAERP Cc1cc(C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)ccn1 ZINC000527654233 391086617 /nfs/dbraw/zinc/08/66/17/391086617.db2.gz SCYJKHBCRNDIKY-AWEZNQCLSA-N 2 0 276.428 1.363 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000567910626 391130578 /nfs/dbraw/zinc/13/05/78/391130578.db2.gz AEMVRAJQAQJZSI-XQQFMLRXSA-N 2 0 253.390 1.057 10 0 CDAERP Cn1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1=O ZINC000647904949 391204433 /nfs/dbraw/zinc/20/44/33/391204433.db2.gz REONXWOHRCVUDP-PBWFPOADSA-N 2 0 261.369 1.100 10 0 CDAERP CC[C@@H](O)C[NH+]1CCCC2(CCC[N@@H+](C[C@H](O)CC)C2)C1 ZINC000377716779 391266494 /nfs/dbraw/zinc/26/64/94/391266494.db2.gz AHLUHWAAZTWLDA-YNPPLXCJSA-N 2 0 298.471 1.706 10 0 CDAERP CC[C@@H](O)C[NH+]1CCC[C@@]2(CCC[N@@H+](C[C@@H](O)CC)C2)C1 ZINC000377730902 391267471 /nfs/dbraw/zinc/26/74/71/391267471.db2.gz AHLUHWAAZTWLDA-IXDOHACOSA-N 2 0 298.471 1.706 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000417221070 391346441 /nfs/dbraw/zinc/34/64/41/391346441.db2.gz NDFGOOGMRMJOTR-CRWXNKLISA-N 2 0 298.475 1.778 10 0 CDAERP CC[C@H](O)CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353629873 391397838 /nfs/dbraw/zinc/39/78/38/391397838.db2.gz GLFIYUVZCRHQNA-BYNSBNAKSA-N 2 0 254.418 2.000 10 0 CDAERP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CC1=O ZINC000353621334 391397943 /nfs/dbraw/zinc/39/79/43/391397943.db2.gz MBQKGRVVUCDJGR-JQOWZUPLSA-N 2 0 291.439 1.458 10 0 CDAERP CC(C)([NH3+])CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000335286454 391400043 /nfs/dbraw/zinc/40/00/43/391400043.db2.gz TXSPFGKXIFKAGM-CYBMUJFWSA-N 2 0 282.432 1.384 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000417820530 391487092 /nfs/dbraw/zinc/48/70/92/391487092.db2.gz YKVQPGGXFAGMJD-AWEZNQCLSA-N 2 0 291.395 1.741 10 0 CDAERP CCc1ccccc1[C@@H]([NH3+])CNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000417836995 391503217 /nfs/dbraw/zinc/50/32/17/391503217.db2.gz OYCJEORJNJACMW-RDJZCZTQSA-N 2 0 289.423 1.755 10 0 CDAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2C[C@@H](C)[C@@H]2C)CC1 ZINC000495079185 391504882 /nfs/dbraw/zinc/50/48/82/391504882.db2.gz MXBNYLSPKVUAQM-LVQVYYBASA-N 2 0 267.461 1.894 10 0 CDAERP C[C@H]1CN(C)C[C@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000357354081 391511431 /nfs/dbraw/zinc/51/14/31/391511431.db2.gz MHNQCBLZHHTESE-WMLDXEAASA-N 2 0 288.439 1.838 10 0 CDAERP [NH3+]CCC[C@@H](NC(=O)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000417829377 391498780 /nfs/dbraw/zinc/49/87/80/391498780.db2.gz INFNDFOWUGNIFT-HUUCEWRRSA-N 2 0 275.396 1.582 10 0 CDAERP C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CCC[NH+]1CCCCC1 ZINC000125126902 391574012 /nfs/dbraw/zinc/57/40/12/391574012.db2.gz ZHVIITADOOWUQB-KGLIPLIRSA-N 2 0 267.417 1.448 10 0 CDAERP C(CN1CC[C@H]([NH+]2CCCC2)C1)C[NH+]1CCCC1 ZINC000161566501 391595315 /nfs/dbraw/zinc/59/53/15/391595315.db2.gz ORETUNZCZISJFO-HNNXBMFYSA-N 2 0 251.418 1.642 10 0 CDAERP Cc1nc(N(C)C)nc(N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000488416207 391597849 /nfs/dbraw/zinc/59/78/49/391597849.db2.gz BTOBLTJSBSLGBY-ZYHUDNBSSA-N 2 0 278.404 1.165 10 0 CDAERP CCC[C@H](C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)[NH+](C)C ZINC000161963554 391609831 /nfs/dbraw/zinc/60/98/31/391609831.db2.gz WMNQFANLBSWODB-ZIAGYGMSSA-N 2 0 267.417 1.413 10 0 CDAERP FCC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCOCC1 ZINC000647798449 391660431 /nfs/dbraw/zinc/66/04/31/391660431.db2.gz QTGPHVAFQKQCPN-MGPQQGTHSA-N 2 0 270.392 1.730 10 0 CDAERP CO[C@H](C)C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000182140655 391839522 /nfs/dbraw/zinc/83/95/22/391839522.db2.gz LYTCZFOBUGYUKD-CHWSQXEVSA-N 2 0 258.406 1.046 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000646011701 391900610 /nfs/dbraw/zinc/90/06/10/391900610.db2.gz VRKXWFQZVIOBJK-RRFJBIMHSA-N 2 0 281.444 1.850 10 0 CDAERP CC(C)[NH+](CCCNC(=O)N[C@H]1CC[NH2+]C[C@@H]1C)C(C)C ZINC000417796316 391939987 /nfs/dbraw/zinc/93/99/87/391939987.db2.gz OASPYNXTFJPVIM-GJZGRUSLSA-N 2 0 298.475 1.793 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)CCC(C)(C)[NH3+])[C@@H](C)C1 ZINC000649340696 392069399 /nfs/dbraw/zinc/06/93/99/392069399.db2.gz KDLBEHUHHGKVFT-STQMWFEESA-N 2 0 269.433 1.693 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)N1C[C@H](C[NH+](C)C)Oc2ccccc21 ZINC000649347409 392080239 /nfs/dbraw/zinc/08/02/39/392080239.db2.gz WDIRKJHTMJSHHN-OLZOCXBDSA-N 2 0 291.395 1.470 10 0 CDAERP CC[C@@H]1C[C@@H](C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)CCO1 ZINC000261976365 392027953 /nfs/dbraw/zinc/02/79/53/392027953.db2.gz ISKYHALIKINECC-RRFJBIMHSA-N 2 0 252.402 1.877 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)[C@H]2[NH2+]CC2(C)C)CC1 ZINC000645821957 392107803 /nfs/dbraw/zinc/10/78/03/392107803.db2.gz PTFRYZCYYFEWEC-CYBMUJFWSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000649372954 392125141 /nfs/dbraw/zinc/12/51/41/392125141.db2.gz LHIAWFFNDGOBCS-MGPQQGTHSA-N 2 0 279.428 1.650 10 0 CDAERP OC[C@@H](CC1CCCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423023877 392281006 /nfs/dbraw/zinc/28/10/06/392281006.db2.gz KOKPGWPSGRPKAR-IZGVIRRGSA-N 2 0 252.402 1.800 10 0 CDAERP CC[NH+](CC)[C@H](C)CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423082929 392328725 /nfs/dbraw/zinc/32/87/25/392328725.db2.gz FGQADKJULXIOIN-QKPAOTATSA-N 2 0 283.460 1.463 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C ZINC000423110256 392352319 /nfs/dbraw/zinc/35/23/19/392352319.db2.gz VIZHQGWAAJHKII-TTZDDIAXSA-N 2 0 289.423 1.891 10 0 CDAERP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@H]1CCC[NH2+]1 ZINC000237909003 131065064 /nfs/dbraw/zinc/06/50/64/131065064.db2.gz LMNNKAZWDWCYSX-ZIAGYGMSSA-N 2 0 291.395 1.675 10 0 CDAERP C[C@H]([NH2+]CCC[NH3+])c1ccc(OCC[NH+](C)C)cc1 ZINC000423175920 392414381 /nfs/dbraw/zinc/41/43/81/392414381.db2.gz FQASCMBZFDFXES-ZDUSSCGKSA-N 3 0 265.401 1.626 10 0 CDAERP COCCOc1ccc([C@@H](C)[NH2+]CCC[NH3+])cc1OC ZINC000423175131 392415438 /nfs/dbraw/zinc/41/54/38/392415438.db2.gz DDLYKKMTMUQSLR-GFCCVEGCSA-N 2 0 282.384 1.720 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H]1NCCC[NH2+]Cc1cccnc1 ZINC000423184568 392425129 /nfs/dbraw/zinc/42/51/29/392425129.db2.gz IHSPFGCIMDQELP-HUUCEWRRSA-N 2 0 262.401 1.278 10 0 CDAERP C[NH+](C)CCC1CCN(C(=O)CN2CC(C)(C)C2)CC1 ZINC000573932891 392470630 /nfs/dbraw/zinc/47/06/30/392470630.db2.gz PHFZZPGXMUELTF-UHFFFAOYSA-N 2 0 281.444 1.519 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000127894958 392632486 /nfs/dbraw/zinc/63/24/86/392632486.db2.gz YAPJRXSZHDKQGU-HIFRSBDPSA-N 2 0 296.459 1.452 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC2CC[NH2+]CC2)[C@H](C)C1 ZINC000521842630 393073640 /nfs/dbraw/zinc/07/36/40/393073640.db2.gz BZTOMNPOOCWIDD-UKRRQHHQSA-N 2 0 296.459 1.358 10 0 CDAERP C[C@@H]1C[C@@H]([N@H+](C)CCOCC(F)F)CCN1C ZINC000189503925 393078430 /nfs/dbraw/zinc/07/84/30/393078430.db2.gz RHPDQXOXWIHELL-MNOVXSKESA-N 2 0 250.333 1.683 10 0 CDAERP C[C@H](C[NH2+][C@H]1CCC(=O)NC1(C)C)C[NH+]1CCCC1 ZINC000494926143 393132962 /nfs/dbraw/zinc/13/29/62/393132962.db2.gz WLJVRRVCJJJFAU-OLZOCXBDSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)[C@@H]1C ZINC000495045295 393164079 /nfs/dbraw/zinc/16/40/79/393164079.db2.gz DORYKRAIWJYBMI-FMKPAKJESA-N 2 0 267.461 1.894 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC1(CCO)CC1 ZINC000495188216 393198265 /nfs/dbraw/zinc/19/82/65/393198265.db2.gz DZLOVPSMGWQVJZ-UHFFFAOYSA-N 2 0 286.379 1.828 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@H](O)COc2ccccc2F)C1 ZINC000656153633 413060210 /nfs/dbraw/zinc/06/02/10/413060210.db2.gz YSMACQOCDXTIJC-MJBXVCDLSA-N 2 0 296.386 1.495 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000187796178 140083642 /nfs/dbraw/zinc/08/36/42/140083642.db2.gz DMDSXZFKVSXYBU-ZIAGYGMSSA-N 2 0 284.448 1.310 10 0 CDAERP C[NH+]1CCC(C(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000237104973 140250461 /nfs/dbraw/zinc/25/04/61/140250461.db2.gz HTQBQYBSXHMHNA-UHFFFAOYSA-N 2 0 267.417 1.496 10 0 CDAERP CCOCC[N@@H+]1CCN(CC[C@H]2CCC[NH+]2C)C[C@H]1C ZINC000245617324 140272199 /nfs/dbraw/zinc/27/21/99/140272199.db2.gz MXASAKXEDCHPKU-HZPDHXFCSA-N 2 0 283.460 1.513 10 0 CDAERP CC[N@@H+]1CC[C@H](CN[C@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000250192542 140301853 /nfs/dbraw/zinc/30/18/53/140301853.db2.gz ALXGZRFIVIYLRC-ILXRZTDVSA-N 2 0 251.418 1.545 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000250108952 140302120 /nfs/dbraw/zinc/30/21/20/140302120.db2.gz SOPCPRIJGHETIF-MRVWCRGKSA-N 2 0 261.369 1.191 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000261555306 140347609 /nfs/dbraw/zinc/34/76/09/140347609.db2.gz BHJSDVAOSSQGGF-STQMWFEESA-N 2 0 253.390 1.071 10 0 CDAERP Cc1cc([C@@H]2CCC[N@H+](CC3CC[NH2+]CC3)C2)n[nH]1 ZINC000261663761 140371915 /nfs/dbraw/zinc/37/19/15/140371915.db2.gz HCASSPUVPAWURY-CQSZACIVSA-N 2 0 262.401 1.897 10 0 CDAERP CCC(C)(C)[NH+]1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000656193369 413089888 /nfs/dbraw/zinc/08/98/88/413089888.db2.gz IHCXISIDRVGEPA-HNNXBMFYSA-N 2 0 253.434 1.792 10 0 CDAERP C[NH+](C)CCN(C(=O)C[C@H]1[NH2+]Cc2ccccc21)C1CC1 ZINC000662543355 413110846 /nfs/dbraw/zinc/11/08/46/413110846.db2.gz ZWKNURBGUOKWGP-MRXNPFEDSA-N 2 0 287.407 1.774 10 0 CDAERP CCC[NH2+]CCNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662549363 413116306 /nfs/dbraw/zinc/11/63/06/413116306.db2.gz NMWAIQZDIKFZLD-HNNXBMFYSA-N 2 0 289.423 1.795 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000662594785 413167537 /nfs/dbraw/zinc/16/75/37/413167537.db2.gz WEGRQZOBTUPTRI-CZUORRHYSA-N 2 0 281.444 1.755 10 0 CDAERP CN(CC1C[NH+](C)C1)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000618191076 397844729 /nfs/dbraw/zinc/84/47/29/397844729.db2.gz RLXAILUJMHREHB-MRXNPFEDSA-N 2 0 293.455 1.804 10 0 CDAERP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000390789857 397981395 /nfs/dbraw/zinc/98/13/95/397981395.db2.gz VRCNOYJYEUXODZ-HZPDHXFCSA-N 2 0 287.407 1.234 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000390789462 397981405 /nfs/dbraw/zinc/98/14/05/397981405.db2.gz VKQPHXKUYPHMND-GOEBONIOSA-N 2 0 291.439 1.997 10 0 CDAERP COC[C@H](CC[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C)OC ZINC000658081941 413183375 /nfs/dbraw/zinc/18/33/75/413183375.db2.gz FCEAISMNOZOQIU-FPMFFAJLSA-N 2 0 256.390 1.110 10 0 CDAERP COC[C@@H](CC[NH2+][C@H](C)C1CC[NH+](C)CC1)OC ZINC000658083733 413183801 /nfs/dbraw/zinc/18/38/01/413183801.db2.gz BABIEMIDJRKLTL-TZMCWYRMSA-N 2 0 258.406 1.358 10 0 CDAERP COC[C@@H](CC[NH2+]C1CC[NH+](CC2CC2)CC1)OC ZINC000658084610 413186624 /nfs/dbraw/zinc/18/66/24/413186624.db2.gz MYCJXFRIPWFYSH-OAHLLOKOSA-N 2 0 270.417 1.502 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000662619553 413200057 /nfs/dbraw/zinc/20/00/57/413200057.db2.gz MMDXZRHNFRCBNZ-STQMWFEESA-N 2 0 267.417 1.365 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CCn2ccnc21 ZINC000658105695 413204018 /nfs/dbraw/zinc/20/40/18/413204018.db2.gz CPEQFCBXBUIEDR-KBPBESRZSA-N 2 0 279.432 1.190 10 0 CDAERP CCC(CC)(C[NH3+])C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000094459056 147089500 /nfs/dbraw/zinc/08/95/00/147089500.db2.gz PDIHHJRLHUPBNO-GFCCVEGCSA-N 2 0 253.390 1.058 10 0 CDAERP COCCOCC[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000175812046 148011693 /nfs/dbraw/zinc/01/16/93/148011693.db2.gz WTIZUKQNXLVACW-AWEZNQCLSA-N 2 0 267.373 1.319 10 0 CDAERP CO[C@@H](C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)[C@@H]1CCOC1 ZINC000660541971 413216482 /nfs/dbraw/zinc/21/64/82/413216482.db2.gz LLULZCCEPSVXPJ-JDOFQRQTSA-N 2 0 282.428 1.595 10 0 CDAERP CCn1nccc1C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000179516534 148118221 /nfs/dbraw/zinc/11/82/21/148118221.db2.gz AFTFHDGPCWEFGD-AWEZNQCLSA-N 2 0 294.443 1.428 10 0 CDAERP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000262353784 149050850 /nfs/dbraw/zinc/05/08/50/149050850.db2.gz HQMBCBPHTXDRFC-VGWMRTNUSA-N 2 0 295.471 1.859 10 0 CDAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCSC3)cc2)C1 ZINC000658145626 413235535 /nfs/dbraw/zinc/23/55/35/413235535.db2.gz RVGSZXJCFKASGT-JKSUJKDBSA-N 2 0 292.448 1.848 10 0 CDAERP C[NH+](C)C1(CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CCC1 ZINC000334952368 150108668 /nfs/dbraw/zinc/10/86/68/150108668.db2.gz NGQHMQJWNJIVLW-OKILXGFUSA-N 2 0 294.443 1.112 10 0 CDAERP [NH3+][C@H]1CCCCCC[C@H]1C(=O)NCC1([NH3+])CCC1 ZINC000335120507 150308774 /nfs/dbraw/zinc/30/87/74/150308774.db2.gz IPELKAHTBMKMMW-NEPJUHHUSA-N 2 0 253.390 1.282 10 0 CDAERP Cc1cnn(C)c1C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000335135011 150325144 /nfs/dbraw/zinc/32/51/44/150325144.db2.gz VBTXMUZYFKRNNC-UHFFFAOYSA-N 2 0 259.357 1.831 10 0 CDAERP COC(C)(C)CC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000346442717 153189610 /nfs/dbraw/zinc/18/96/10/153189610.db2.gz GNJSESHBMWPIEN-CQSZACIVSA-N 2 0 297.443 1.040 10 0 CDAERP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC([NH+](C)C)CC1 ZINC000347037474 153388609 /nfs/dbraw/zinc/38/86/09/153388609.db2.gz XQEZJNZETKJYII-LBPRGKRZSA-N 2 0 269.433 1.706 10 0 CDAERP C[NH+](C)CCOCC[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000349211003 154069698 /nfs/dbraw/zinc/06/96/98/154069698.db2.gz FMELTLSZVCOIBB-UHFFFAOYSA-N 2 0 262.357 1.231 10 0 CDAERP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C1([NH2+]C2CC2)CCC1 ZINC000662685405 413309378 /nfs/dbraw/zinc/30/93/78/413309378.db2.gz SHUDWEZACWIKAD-CYBMUJFWSA-N 2 0 279.428 1.461 10 0 CDAERP O=C(C[C@@H]1CCC[NH2+]1)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000662686729 413311530 /nfs/dbraw/zinc/31/15/30/413311530.db2.gz PIASDQMJWSZBHC-LSDHHAIUSA-N 2 0 289.379 1.428 10 0 CDAERP C[C@H]([NH2+][C@H]1C[C@@H](O)C12CCC2)C1CC[NH+](C)CC1 ZINC000658252681 413317041 /nfs/dbraw/zinc/31/70/41/413317041.db2.gz JVWRBPJROUVABB-FPMFFAJLSA-N 2 0 252.402 1.610 10 0 CDAERP COC[C@H](C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)OC ZINC000660638164 413320082 /nfs/dbraw/zinc/32/00/82/413320082.db2.gz AHFNWTRQPILMFL-KBPBESRZSA-N 2 0 256.390 1.066 10 0 CDAERP c1c(CC[NH+]2CCCCC2)nnn1[C@H]1CCC[NH2+]C1 ZINC000656468429 413329816 /nfs/dbraw/zinc/32/98/16/413329816.db2.gz XYKIEQHUBCRXNI-AWEZNQCLSA-N 2 0 263.389 1.231 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)[NH2+]C(C)(C)CC)C1 ZINC000355650966 157166564 /nfs/dbraw/zinc/16/65/64/157166564.db2.gz IASDHSWPLKSBJT-CHWSQXEVSA-N 2 0 269.433 1.611 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000362520656 159167712 /nfs/dbraw/zinc/16/77/12/159167712.db2.gz GVVGFSINUPVKSL-CABCVRRESA-N 2 0 281.444 1.804 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000662730930 413394949 /nfs/dbraw/zinc/39/49/49/413394949.db2.gz VKDGHPRGRHOGTA-MCIONIFRSA-N 2 0 269.433 1.774 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000662732233 413400438 /nfs/dbraw/zinc/40/04/38/413400438.db2.gz PFJRIKNSZTUINI-HUUCEWRRSA-N 2 0 275.396 1.363 10 0 CDAERP CC1CCC([NH+]2CCN(C(=O)CC3([NH3+])CC3)CC2)CC1 ZINC000662737445 413411016 /nfs/dbraw/zinc/41/10/16/413411016.db2.gz ZIANXXDMKICBMF-UHFFFAOYSA-N 2 0 279.428 1.591 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)CC[N@@H+]1C ZINC000374798710 160316812 /nfs/dbraw/zinc/31/68/12/160316812.db2.gz OSEYJEAWYGWBIN-FPCVCCKLSA-N 2 0 296.455 1.626 10 0 CDAERP C[C@H](NC(=O)C1([NH3+])CC2(CCC2)C1)C(C)(C)C[NH+](C)C ZINC000662744343 413416847 /nfs/dbraw/zinc/41/68/47/413416847.db2.gz COCIUOSKWICYRV-LBPRGKRZSA-N 2 0 281.444 1.741 10 0 CDAERP CC/C=C/CC[NH+]1CC(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001665350443 1172982904 /nfs/dbraw/zinc/98/29/04/1172982904.db2.gz NJTVIYIAMLGATH-KXPUMZMLSA-N 2 0 295.471 1.977 10 0 CDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCOC(C)(C)C)CC1 ZINC000105862700 287086025 /nfs/dbraw/zinc/08/60/25/287086025.db2.gz IZOLXNPVDPYKQA-CQSZACIVSA-N 2 0 286.460 1.826 10 0 CDAERP C[C@@H]1C[N@H+](CCCC(=O)Nc2cccc(C[NH3+])c2)CCO1 ZINC000022156121 171362259 /nfs/dbraw/zinc/36/22/59/171362259.db2.gz AWKRRWQJOMRMDX-CYBMUJFWSA-N 2 0 291.395 1.585 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000653176208 412116800 /nfs/dbraw/zinc/11/68/00/412116800.db2.gz MYCKLBIXGGWDBK-INIZCTEOSA-N 2 0 291.439 1.651 10 0 CDAERP [NH3+]C[C@@H](C(=O)NCCC1(C[NH3+])CC1)c1ccc(F)cc1 ZINC000653221025 412148044 /nfs/dbraw/zinc/14/80/44/412148044.db2.gz DHZGDEORQDLDQM-CYBMUJFWSA-N 2 0 279.359 1.113 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000660823452 413519912 /nfs/dbraw/zinc/51/99/12/413519912.db2.gz VBLSQOKXZYTMLX-ZIAGYGMSSA-N 2 0 298.475 1.889 10 0 CDAERP CCCN(CCC[NH+](C)C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654661577 413550605 /nfs/dbraw/zinc/55/06/05/413550605.db2.gz GCZCOIFJGJTXMW-GASCZTMLSA-N 2 0 298.475 1.700 10 0 CDAERP C[C@H](CNC(=O)N[C@@H](C)c1nccn1C)[N@H+](C)C1CC1 ZINC000660855027 413579462 /nfs/dbraw/zinc/57/94/62/413579462.db2.gz ISKZLQGBQPACGY-MNOVXSKESA-N 2 0 279.388 1.263 10 0 CDAERP C[C@H](NC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1nccn1C ZINC000660867501 413600337 /nfs/dbraw/zinc/60/03/37/413600337.db2.gz ALKDLCQOUROTSG-GRYCIOLGSA-N 2 0 291.399 1.406 10 0 CDAERP CN(CC1C[NH+](C)C1)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000664744533 413629082 /nfs/dbraw/zinc/62/90/82/413629082.db2.gz QYWMUBLFLBBANB-UHFFFAOYSA-N 2 0 296.459 1.311 10 0 CDAERP O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000662885532 413654095 /nfs/dbraw/zinc/65/40/95/413654095.db2.gz RZGKHEJWKNPXSU-GJZGRUSLSA-N 2 0 289.379 1.428 10 0 CDAERP C[C@@H](CCNC(=O)c1ccccc1CC[NH3+])[NH+](C)C ZINC000662859196 413623278 /nfs/dbraw/zinc/62/32/78/413623278.db2.gz KYROBACZWNONQA-LBPRGKRZSA-N 2 0 263.385 1.258 10 0 CDAERP O=C(C[C@H]1[NH2+]Cc2ccccc21)NCCC[C@H]1CCC[NH2+]1 ZINC000659310754 413701567 /nfs/dbraw/zinc/70/15/67/413701567.db2.gz ISJJCAFPLYUSEH-GDBMZVCRSA-N 2 0 287.407 1.869 10 0 CDAERP CC[N@H+](C)C[C@@H](O)CN1Cc2cnn(C)c2CC(C)(C)C1 ZINC000664881814 413710719 /nfs/dbraw/zinc/71/07/19/413710719.db2.gz ZXCVVALQECTJFP-CQSZACIVSA-N 2 0 294.443 1.117 10 0 CDAERP [NH3+]C/C=C\CNC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659543480 413948688 /nfs/dbraw/zinc/94/86/88/413948688.db2.gz IPGDWUSCWAWGSF-ZFDPJTLLSA-N 2 0 280.416 1.208 10 0 CDAERP CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]CCCc2cncn2C)C1 ZINC000661215440 413895054 /nfs/dbraw/zinc/89/50/54/413895054.db2.gz GHEZUJHMVAPADI-BMFZPTHFSA-N 2 0 295.427 1.508 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(CNC(C)=O)cc1 ZINC000665235779 413963137 /nfs/dbraw/zinc/96/31/37/413963137.db2.gz ZXNONYRXENHCHS-MRXNPFEDSA-N 2 0 293.411 1.166 10 0 CDAERP CC[C@@H]1CC[C@H]1[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000665288955 414025084 /nfs/dbraw/zinc/02/50/84/414025084.db2.gz BRQQMDXRTHXSJY-UKRRQHHQSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000659619779 414029461 /nfs/dbraw/zinc/02/94/61/414029461.db2.gz UMDVMIBEOJONSR-DZGCQCFKSA-N 2 0 296.459 1.486 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000659619958 414029510 /nfs/dbraw/zinc/02/95/10/414029510.db2.gz WVBRNZBAAGJFIW-OAHLLOKOSA-N 2 0 298.475 1.910 10 0 CDAERP COCCOCCC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C)C1 ZINC000037221545 173040306 /nfs/dbraw/zinc/04/03/06/173040306.db2.gz IUTLGPNGBPANDU-UONOGXRCSA-N 2 0 258.406 1.359 10 0 CDAERP C[C@@H]([NH2+]CCCn1ccnc1)[C@@H]1CCC[N@H+](C)C1 ZINC000037222054 173042478 /nfs/dbraw/zinc/04/24/78/173042478.db2.gz VPSLNMLSLOEJFM-ZIAGYGMSSA-N 2 0 250.390 1.593 10 0 CDAERP CC[NH+]1CCC(NCc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000657292657 414122609 /nfs/dbraw/zinc/12/26/09/414122609.db2.gz PESZJLHOMDBEAO-UHFFFAOYSA-N 2 0 285.395 1.841 10 0 CDAERP CO[C@@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)[C@@H]1CCOC1 ZINC000659842900 414172578 /nfs/dbraw/zinc/17/25/78/414172578.db2.gz HKMKLBWCDHDOTN-SJORKVTESA-N 2 0 296.455 1.846 10 0 CDAERP CC[NH+]1CCC(C[NH2+]Cc2cnn3c2CCC3)CC1 ZINC000657347967 414212306 /nfs/dbraw/zinc/21/23/06/414212306.db2.gz YXIQPZLQFNDZSA-UHFFFAOYSA-N 2 0 262.401 1.651 10 0 CDAERP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC000657396900 414282170 /nfs/dbraw/zinc/28/21/70/414282170.db2.gz FBZRLDNWWZKSIY-UHFFFAOYSA-N 2 0 292.427 1.154 10 0 CDAERP C[C@@H](NCc1nc2c(s1)C[NH2+]CC2)[C@H]1CCC[NH2+]C1 ZINC000663493278 414289413 /nfs/dbraw/zinc/28/94/13/414289413.db2.gz HDIQADBUMPKFEG-MNOVXSKESA-N 2 0 280.441 1.267 10 0 CDAERP CCC[C@H]1C[NH2+]CCN1Cc1nc2c(s1)C[NH2+]CC2 ZINC000663494236 414289881 /nfs/dbraw/zinc/28/98/81/414289881.db2.gz GWYNRZJCPJIAEC-NSHDSACASA-N 2 0 280.441 1.363 10 0 CDAERP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccccc1-n1cncn1 ZINC000663497603 414297613 /nfs/dbraw/zinc/29/76/13/414297613.db2.gz CQQIAEJBBSTAFD-CQSZACIVSA-N 2 0 273.384 1.730 10 0 CDAERP c1cc2c(cc1CNCC13CC(C1)C[NH2+]3)C[NH2+]CC2 ZINC000663501944 414300534 /nfs/dbraw/zinc/30/05/34/414300534.db2.gz ZXQHTBGSSSAOHU-UHFFFAOYSA-N 2 0 257.381 1.174 10 0 CDAERP CC[C@H](CN1CCOC2(C[NH2+]C2)C1)c1ccccc1 ZINC000663512791 414315281 /nfs/dbraw/zinc/31/52/81/414315281.db2.gz NRFUHQKEBUOOOF-CQSZACIVSA-N 2 0 260.381 1.854 10 0 CDAERP CC[C@@H]1C[C@@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)CO1 ZINC000657459090 414353163 /nfs/dbraw/zinc/35/31/63/414353163.db2.gz SQVJMEBTHSVQOR-ZIAGYGMSSA-N 2 0 269.433 1.170 10 0 CDAERP CCC[NH+]1CCC([N@H+](C)C[C@@H](COC)OC)CC1 ZINC000659983305 414325226 /nfs/dbraw/zinc/32/52/26/414325226.db2.gz JCVAIDZCPVBDFY-AWEZNQCLSA-N 2 0 258.406 1.454 10 0 CDAERP OCCC1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000657440523 414328066 /nfs/dbraw/zinc/32/80/66/414328066.db2.gz BADNJNWWQNZFKY-UHFFFAOYSA-N 2 0 272.352 1.520 10 0 CDAERP Cc1ccccc1C[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249466 414584745 /nfs/dbraw/zinc/58/47/45/414584745.db2.gz OFJZRMILYUSXRP-HNNXBMFYSA-N 2 0 260.381 1.948 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)[NH+]1CCCCC1 ZINC000038029446 174020434 /nfs/dbraw/zinc/02/04/34/174020434.db2.gz HKLRWISKAAEOHR-YHUYYLMFSA-N 2 0 293.455 1.898 10 0 CDAERP CC[NH+]1CCC(N[C@H](C)[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000038098043 174111602 /nfs/dbraw/zinc/11/16/02/174111602.db2.gz WZFLQCMUXAMPIU-ZIAGYGMSSA-N 2 0 253.434 1.791 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)CCC[NH2+]C(C)C)C1 ZINC000040503580 174300805 /nfs/dbraw/zinc/30/08/05/174300805.db2.gz CDMWXFQWHPHSRM-CYBMUJFWSA-N 2 0 255.406 1.365 10 0 CDAERP C[C@@H](C[NH+]1CCC([NH+]2CCCCC2)CC1)C(N)=S ZINC000040694046 174377786 /nfs/dbraw/zinc/37/77/86/174377786.db2.gz HZXPJZTVJBZSMT-LBPRGKRZSA-N 2 0 269.458 1.859 10 0 CDAERP CC[N@H+](Cc1ccc(C(N)=O)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748264 174393434 /nfs/dbraw/zinc/39/34/34/174393434.db2.gz COVZBIJMTLFXIE-XYPWUTKMSA-N 2 0 287.407 1.890 10 0 CDAERP C[NH+](C)CCOc1ccc(N[C@H]2CCC[NH2+]C2)cc1 ZINC000043327186 175008616 /nfs/dbraw/zinc/00/86/16/175008616.db2.gz YGTGJZCLRIYZPN-AWEZNQCLSA-N 2 0 263.385 1.791 10 0 CDAERP C[NH+](C)CC1CCN([C@H](C[NH3+])c2ccncc2)CC1 ZINC000043354408 175021699 /nfs/dbraw/zinc/02/16/99/175021699.db2.gz YCGGCAXCCMGLCY-OAHLLOKOSA-N 2 0 262.401 1.355 10 0 CDAERP CCC[NH+]1CCN(C[C@@H]([NH2+]C)c2cccc(OC)c2)CC1 ZINC000043805333 175107700 /nfs/dbraw/zinc/10/77/00/175107700.db2.gz APYHCJKMGYNXEE-QGZVFWFLSA-N 2 0 291.439 1.983 10 0 CDAERP C[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccc(C)cc1C ZINC000043810507 175109491 /nfs/dbraw/zinc/10/94/91/175109491.db2.gz UNNDGABHJOSQGM-MRXNPFEDSA-N 2 0 261.413 1.811 10 0 CDAERP C[NH2+][C@@H](c1ccccc1)[C@@H](C)N1CCC[N@H+](C)CC1 ZINC000043818041 175113436 /nfs/dbraw/zinc/11/34/36/175113436.db2.gz ISYKBPCABAHLMV-GDBMZVCRSA-N 2 0 261.413 1.973 10 0 CDAERP CCC[NH2+][C@@H]1CCOC[C@@H]1N1CC[NH+](C(C)(C)C)CC1 ZINC000043965724 175127035 /nfs/dbraw/zinc/12/70/35/175127035.db2.gz DNVLYFZCCNAHEU-CABCVRRESA-N 2 0 283.460 1.560 10 0 CDAERP C[NH2+][C@@H]1CCCC[C@H]1N1CC[NH+](CC2CC2)CC1 ZINC000043967883 175128955 /nfs/dbraw/zinc/12/89/55/175128955.db2.gz RSVNFKVCJDDEGM-HUUCEWRRSA-N 2 0 251.418 1.545 10 0 CDAERP CCC[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000044380459 175169079 /nfs/dbraw/zinc/16/90/79/175169079.db2.gz RCSLJBSCYWCWPR-UHFFFAOYSA-N 2 0 261.413 1.804 10 0 CDAERP Cc1nc(C)c([C@H](C)[NH2+]CC2CC[NH+](C)CC2)c(=O)[nH]1 ZINC000044516932 175190659 /nfs/dbraw/zinc/19/06/59/175190659.db2.gz UILBFVSOKQPCQT-JTQLQIEISA-N 2 0 278.400 1.379 10 0 CDAERP CC[C@H](C[NH3+])C(=O)N[C@@H](C)CCC[NH+](CC)CC ZINC000044798905 175254994 /nfs/dbraw/zinc/25/49/94/175254994.db2.gz WPCOSOBZYUOPIR-QWHCGFSZSA-N 2 0 257.422 1.598 10 0 CDAERP CCC[NH2+][C@](C)(CCC[NH+]1CCCCC1)C(N)=O ZINC000045378357 175367780 /nfs/dbraw/zinc/36/77/80/175367780.db2.gz MNNLWZJWYHQVMC-CQSZACIVSA-N 2 0 255.406 1.496 10 0 CDAERP CC(C)C[N@H+](C)CCCC[C@](C)([NH2+]C(C)C)C(N)=O ZINC000045380906 175369821 /nfs/dbraw/zinc/36/98/21/175369821.db2.gz UFVZZIPYMAGMPB-HNNXBMFYSA-N 2 0 271.449 1.987 10 0 CDAERP CCC[NH2+][C@@](C)(CCC[N@H+](C)CC(C)C)C(N)=O ZINC000045381026 175370051 /nfs/dbraw/zinc/37/00/51/175370051.db2.gz DLYGHLICVCXWHR-AWEZNQCLSA-N 2 0 257.422 1.598 10 0 CDAERP CCC[N@H+](CCC[C@@](C)([NH2+]C1CC1)C(N)=O)C(C)C ZINC000045386097 175371900 /nfs/dbraw/zinc/37/19/00/175371900.db2.gz JJFGZBJFZVGAOD-OAHLLOKOSA-N 2 0 269.433 1.883 10 0 CDAERP CC[NH2+][C@](C)(CCC[N@H+](C)[C@@H](C)C(C)C)C(N)=O ZINC000045392150 175375956 /nfs/dbraw/zinc/37/59/56/175375956.db2.gz VHYNIOJTXXRUKY-GXTWGEPZSA-N 2 0 257.422 1.596 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)c1ccc(CC[NH3+])cc1 ZINC000070553004 175981630 /nfs/dbraw/zinc/98/16/30/175981630.db2.gz CQIKEQUPBYKEOG-OAHLLOKOSA-N 2 0 275.396 1.354 10 0 CDAERP CC(C)C[NH+]1CCN(Cc2ccccc2CC[NH3+])CC1 ZINC000070553366 175982213 /nfs/dbraw/zinc/98/22/13/175982213.db2.gz LUIQKLHRABANHJ-UHFFFAOYSA-N 2 0 275.440 1.961 10 0 CDAERP CC(C)[NH2+][C@@H]1CCCN(CC[N@H+](C)C2CC2)C1=O ZINC000071031213 176022455 /nfs/dbraw/zinc/02/24/55/176022455.db2.gz FQWDGUPVJINWBZ-CYBMUJFWSA-N 2 0 253.390 1.070 10 0 CDAERP CC(C)[NH2+][C@H]1CCCN(CCC[NH+]2CCCC2)C1=O ZINC000071031424 176023207 /nfs/dbraw/zinc/02/32/07/176023207.db2.gz AQXSITJGTKIADY-AWEZNQCLSA-N 2 0 267.417 1.461 10 0 CDAERP CC[NH+]1CCC(CN2CC[C@H]([NH2+]C3CC3)C2=O)CC1 ZINC000071036459 176025847 /nfs/dbraw/zinc/02/58/47/176025847.db2.gz MFMKEWOZRGKHBT-AWEZNQCLSA-N 2 0 265.401 1.071 10 0 CDAERP CC(C)[NH2+][C@@H]1CCCN([C@@H](C)CC[NH+](C)C)C1=O ZINC000071037250 176025902 /nfs/dbraw/zinc/02/59/02/176025902.db2.gz WUUBQGTVYHCFIB-QWHCGFSZSA-N 2 0 255.406 1.316 10 0 CDAERP CC(C)[NH2+][C@H]1CCCN(C2CC[NH+](C)CC2)C1=O ZINC000071039805 176027391 /nfs/dbraw/zinc/02/73/91/176027391.db2.gz PGRCERXAUBFRNR-ZDUSSCGKSA-N 2 0 253.390 1.070 10 0 CDAERP Cc1ccc([C@H](C)[N@H+](C)CCN2CC[NH2+]CC2)s1 ZINC000071148953 176044422 /nfs/dbraw/zinc/04/44/22/176044422.db2.gz LLTLSLMNBPJMAX-ZDUSSCGKSA-N 2 0 267.442 1.955 10 0 CDAERP C[C@@H]([NH3+])[C@H](N(C)C[C@@H]1CC[N@H+](C)C1)C(F)(F)F ZINC000071188147 176062655 /nfs/dbraw/zinc/06/26/55/176062655.db2.gz DPJMTVCQKQCJPI-BBBLOLIVSA-N 2 0 253.312 1.148 10 0 CDAERP CN(C[C@H]1CC[N@H+](C)C1)c1nc2sccn2c1C[NH3+] ZINC000071190075 176065361 /nfs/dbraw/zinc/06/53/61/176065361.db2.gz MABTXNYWJBEOKH-JTQLQIEISA-N 2 0 279.413 1.242 10 0 CDAERP CC(C)[NH2+]C[C@@]1(CN(C)C[C@@H]2CC[N@H+](C)C2)CCOC1 ZINC000071191469 176069873 /nfs/dbraw/zinc/06/98/73/176069873.db2.gz HHFQRVVVQYBISV-HZPDHXFCSA-N 2 0 283.460 1.275 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)C[C@@](C)(C[NH3+])c1ccccc1 ZINC000071191498 176070283 /nfs/dbraw/zinc/07/02/83/176070283.db2.gz UGJVOVCFNAFKPY-NVXWUHKLSA-N 2 0 275.440 1.787 10 0 CDAERP CN(CC[NH2+]CC1CCCC1)C[C@@H]1CC[N@H+](C)C1 ZINC000071192383 176074021 /nfs/dbraw/zinc/07/40/21/176074021.db2.gz IGRITNGTBVMECU-OAHLLOKOSA-N 2 0 253.434 1.650 10 0 CDAERP CCC[NH2+][C@H]1CCCN([C@@H]2C[NH+]3CCC2CC3)C1 ZINC000071197100 176076684 /nfs/dbraw/zinc/07/66/84/176076684.db2.gz YMUYMIPQJURHKA-LSDHHAIUSA-N 2 0 251.418 1.545 10 0 CDAERP CCC[NH2+][C@@H]1CCCN(CC[NH+]2CCCCC2)C1 ZINC000071200625 176077864 /nfs/dbraw/zinc/07/78/64/176077864.db2.gz ZYVHYPLGGNAZCH-OAHLLOKOSA-N 2 0 253.434 1.936 10 0 CDAERP CN1CCC[N@H+](CCCCCC[NH2+]C2CC2)CC1 ZINC000071287540 176110037 /nfs/dbraw/zinc/11/00/37/176110037.db2.gz ANVHDGIXPVIVRU-UHFFFAOYSA-N 2 0 253.434 1.936 10 0 CDAERP CN([C@@H]1CC[NH2+]C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000071309736 176116689 /nfs/dbraw/zinc/11/66/89/176116689.db2.gz BOICCQGMNWESSC-IAGOWNOFSA-N 2 0 273.424 1.945 10 0 CDAERP CN([C@H]1CC[NH2+]C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000071309738 176116905 /nfs/dbraw/zinc/11/69/05/176116905.db2.gz BOICCQGMNWESSC-DLBZAZTESA-N 2 0 273.424 1.945 10 0 CDAERP OCC[N@@H+]1CCCN(c2cc[nH+]c3ccccc32)CC1 ZINC000071349530 176133083 /nfs/dbraw/zinc/13/30/83/176133083.db2.gz GTYPBCYRBKAAFK-UHFFFAOYSA-N 2 0 271.364 1.739 10 0 CDAERP C[C@@H]1C[C@@H](C(=O)NCC[N@H+](C)C2CCCC2)CC[C@@H]1[NH3+] ZINC000071380119 176144630 /nfs/dbraw/zinc/14/46/30/176144630.db2.gz YWHKSEBETQFCRN-IPYPFGDCSA-N 2 0 281.444 1.741 10 0 CDAERP CC(C)(O)C[NH+]1CCN(CC2(C[NH3+])CCCCC2)CC1 ZINC000071381796 176145589 /nfs/dbraw/zinc/14/55/89/176145589.db2.gz NFDLXFKMMPJFSM-UHFFFAOYSA-N 2 0 283.460 1.284 10 0 CDAERP CCCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001666172724 1173114466 /nfs/dbraw/zinc/11/44/66/1173114466.db2.gz MBIOVODQAOQKPU-HOTGVXAUSA-N 2 0 295.471 1.957 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000417926669 227193114 /nfs/dbraw/zinc/19/31/14/227193114.db2.gz DVBUHJQZGNAKDS-JXQTWKCFSA-N 2 0 282.432 1.158 10 0 CDAERP C([C@H]1CCC2(C[NH2+]C2)O1)[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000662250781 423789526 /nfs/dbraw/zinc/78/95/26/423789526.db2.gz NVYCQPSFFBAFAI-GXTWGEPZSA-N 2 0 266.385 1.008 10 0 CDAERP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3C[C@@H](C(N)=O)C3)CC2)C1 ZINC000651940028 423942664 /nfs/dbraw/zinc/94/26/64/423942664.db2.gz YONHWPKQFCTBQI-WMHQRMGPSA-N 2 0 293.455 1.883 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000662414959 424064161 /nfs/dbraw/zinc/06/41/61/424064161.db2.gz JNXZZZFJDAZLLF-AWEZNQCLSA-N 2 0 285.432 1.119 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)NC(C)(C)CC[NH3+] ZINC000652225004 424083172 /nfs/dbraw/zinc/08/31/72/424083172.db2.gz NAYLYZBUYKWHOZ-UHFFFAOYSA-N 2 0 272.437 1.391 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000662401399 424044665 /nfs/dbraw/zinc/04/46/65/424044665.db2.gz UHOJSPKACORBIW-OFQRWUPVSA-N 2 0 299.459 1.365 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000652201748 424050287 /nfs/dbraw/zinc/05/02/87/424050287.db2.gz ONLOYAXRVFARDJ-OAHLLOKOSA-N 2 0 290.411 1.347 10 0 CDAERP CC(C)[N@@H+]1CCCN(C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652242028 424124788 /nfs/dbraw/zinc/12/47/88/424124788.db2.gz OTAUPEPMAJSDOZ-UHFFFAOYSA-N 2 0 282.432 1.241 10 0 CDAERP C[NH2+]CCC[NH+]1CCC(c2ccc(OC)cn2)CC1 ZINC000652344631 424277933 /nfs/dbraw/zinc/27/79/33/424277933.db2.gz URPIBVCJXLCXOX-UHFFFAOYSA-N 2 0 263.385 1.879 10 0 CDAERP CCO[C@@H]1CN(CCC[NH+]2CCCCC2)C[C@H]1C[NH3+] ZINC000652356462 424303614 /nfs/dbraw/zinc/30/36/14/424303614.db2.gz LWCKHGIYNPJEGL-HUUCEWRRSA-N 2 0 269.433 1.158 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000653128261 424329023 /nfs/dbraw/zinc/32/90/23/424329023.db2.gz ZUHQVZUSDVPFJU-UHFFFAOYSA-N 2 0 296.374 1.481 10 0 CDAERP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)CC1([NH3+])CC1 ZINC000662696372 424332310 /nfs/dbraw/zinc/33/23/10/424332310.db2.gz YGOVKMJEBVMZDI-UPJWGTAASA-N 2 0 267.417 1.350 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662710626 424360699 /nfs/dbraw/zinc/36/06/99/424360699.db2.gz IUODLLDYKMKFTE-WNGYAQOMSA-N 2 0 253.390 1.103 10 0 CDAERP [NH3+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)CC1 ZINC000653141482 424362657 /nfs/dbraw/zinc/36/26/57/424362657.db2.gz RSWUQJDOOSQRTA-GBOPCIDUSA-N 2 0 279.428 1.398 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655691611 424403461 /nfs/dbraw/zinc/40/34/61/424403461.db2.gz WXXZZVFPNCDKHX-NVXWUHKLSA-N 2 0 295.471 1.704 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCc2cc(N)ccc21 ZINC000665273036 424485665 /nfs/dbraw/zinc/48/56/65/424485665.db2.gz PFJOVXBAPSSWRE-UKRRQHHQSA-N 2 0 263.385 1.600 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C1CC1 ZINC000652523476 424521266 /nfs/dbraw/zinc/52/12/66/424521266.db2.gz QZEFOMHKLDTNKF-OAHLLOKOSA-N 2 0 281.444 1.707 10 0 CDAERP COC[C@H](CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)OC ZINC000665234769 424467333 /nfs/dbraw/zinc/46/73/33/424467333.db2.gz KACVIZCTOQYVIH-YHUYYLMFSA-N 2 0 284.444 1.938 10 0 CDAERP CO[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)[C@H]1CCOC1 ZINC000665235690 424469919 /nfs/dbraw/zinc/46/99/19/424469919.db2.gz YSRBPMGCAUGBKS-AEAUEXCSSA-N 2 0 276.380 1.772 10 0 CDAERP C[NH+](C)CC(C)(C)NC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000665356706 424550161 /nfs/dbraw/zinc/55/01/61/424550161.db2.gz WOGXJYVAKMOIQA-GFCCVEGCSA-N 2 0 284.448 1.499 10 0 CDAERP C[C@H](CC(=O)N[C@H](C[NH3+])C(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000655504367 424666007 /nfs/dbraw/zinc/66/60/07/424666007.db2.gz ARVYCQJTPSDEGN-OPRDCNLKSA-N 2 0 281.322 1.018 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000257737508 270307928 /nfs/dbraw/zinc/30/79/28/270307928.db2.gz WGMWXALALSXWFS-MELADBBJSA-N 2 0 267.417 1.495 10 0 CDAERP CN1C(=O)c2ccccc2[C@@H]1CN[C@@H]1CCC[C@H]1[NH3+] ZINC000530224248 271166674 /nfs/dbraw/zinc/16/66/74/271166674.db2.gz LGYOXEYKJJMGJS-MCIONIFRSA-N 2 0 259.353 1.283 10 0 CDAERP CC(C)[C@H]1C[NH2+]CCN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000530227168 271170329 /nfs/dbraw/zinc/17/03/29/271170329.db2.gz DEZOERFVZIZEKL-QGZVFWFLSA-N 2 0 273.424 1.762 10 0 CDAERP C(C[NH2+][C@H]1CCCC[C@@H]1C1CC1)CN1CC[NH2+]CC1 ZINC000414778384 275394240 /nfs/dbraw/zinc/39/42/40/275394240.db2.gz IAMBYGXFVKTUJY-CVEARBPZSA-N 2 0 265.445 1.840 10 0 CDAERP CC1(C)OCC[C@H]1[NH2+]C/C=C/C[NH2+][C@H]1CCOC1(C)C ZINC000451246916 276156751 /nfs/dbraw/zinc/15/67/51/276156751.db2.gz WXEBPYQQQZBKIU-DLPZHFSESA-N 2 0 282.428 1.857 10 0 CDAERP CC[N@@H+]1CCC[C@H](N[C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000250194509 276179247 /nfs/dbraw/zinc/17/92/47/276179247.db2.gz ARVRHSQVVLRISB-SOUVJXGZSA-N 2 0 251.418 1.687 10 0 CDAERP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@H]3CCC=CO3)C2)CC1 ZINC000248749631 276387802 /nfs/dbraw/zinc/38/78/02/276387802.db2.gz BUCQEKUZUYHFQS-JKSUJKDBSA-N 2 0 279.428 1.391 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000312486643 277562308 /nfs/dbraw/zinc/56/23/08/277562308.db2.gz ZPUGKUXLHQPMMX-UONOGXRCSA-N 2 0 277.416 1.553 10 0 CDAERP C[C@@H](O)C[NH+]1CCC(C[NH2+]CC2(O)CCCCC2)CC1 ZINC000069510331 277638203 /nfs/dbraw/zinc/63/82/03/277638203.db2.gz KUEJWFXUWLGZMS-CQSZACIVSA-N 2 0 284.444 1.364 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCC[NH2+]C2)C[N@@H+]1C1CC1 ZINC000333418712 278021372 /nfs/dbraw/zinc/02/13/72/278021372.db2.gz SFCYXQBHVCMMNL-UPJWGTAASA-N 2 0 280.416 1.053 10 0 CDAERP CC1(C)CCC[N@@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000335247709 278220154 /nfs/dbraw/zinc/22/01/54/278220154.db2.gz IRDIKKNHFQFBBR-LBPRGKRZSA-N 2 0 253.390 1.058 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC3(CC[NH2+]3)CC2)C1 ZINC000335021899 279293465 /nfs/dbraw/zinc/29/34/65/279293465.db2.gz KHLMYNJZSYYXJG-CYBMUJFWSA-N 2 0 280.416 1.008 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000233483019 279334716 /nfs/dbraw/zinc/33/47/16/279334716.db2.gz DCCIHXHHERKSIS-STQMWFEESA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)[C@@H](C(=O)N1CCC([NH+](C)C)CC1)[NH+](C)C ZINC000163078189 279759908 /nfs/dbraw/zinc/75/99/08/279759908.db2.gz JFKWGYZVUTZZIW-ZDUSSCGKSA-N 2 0 255.406 1.125 10 0 CDAERP CC(C)[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1cccnc1 ZINC000423205808 279905477 /nfs/dbraw/zinc/90/54/77/279905477.db2.gz PQBHYKMSGMHBKE-OAHLLOKOSA-N 2 0 262.401 1.274 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)NCCC[NH+]2CCCCC2)C1 ZINC000194135452 280025219 /nfs/dbraw/zinc/02/52/19/280025219.db2.gz DJCRBFUDHHEWSV-HNNXBMFYSA-N 2 0 296.459 1.646 10 0 CDAERP C[NH+](C)C1(CN[C@H](C2CC2)[C@H]2C[NH2+]CCO2)CCCC1 ZINC000422791787 282045972 /nfs/dbraw/zinc/04/59/72/282045972.db2.gz VEXMUWYAMUSFAY-HUUCEWRRSA-N 2 0 281.444 1.217 10 0 CDAERP C[NH+](C)C1(CN[C@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CCC1 ZINC000353672397 282046144 /nfs/dbraw/zinc/04/61/44/282046144.db2.gz QRLKURLNVFQWJI-KKUMJFAQSA-N 2 0 265.445 1.933 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000263207258 289066950 /nfs/dbraw/zinc/06/69/50/289066950.db2.gz JVWMSAKWPSSQIO-DZGCQCFKSA-N 2 0 267.417 1.447 10 0 CDAERP CCC[C@H](C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1)[NH+](C)C ZINC000153956858 289188583 /nfs/dbraw/zinc/18/85/83/289188583.db2.gz AICVTXMLXJELEN-LSDHHAIUSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000417253700 289625278 /nfs/dbraw/zinc/62/52/78/289625278.db2.gz LVJLTQHBYXCKGV-ZSAUSMIDSA-N 2 0 296.459 1.484 10 0 CDAERP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262346932 289626075 /nfs/dbraw/zinc/62/60/75/289626075.db2.gz GWHPHHJESWXUTH-LJIZCISZSA-N 2 0 295.471 1.857 10 0 CDAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCn1ccnn1 ZINC000126648961 289735548 /nfs/dbraw/zinc/73/55/48/289735548.db2.gz BGHUTTAQKNYZRS-ZIAGYGMSSA-N 2 0 265.405 1.569 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NCC2(C[NH+](C)C)CCCC2)C1 ZINC000557669707 290363487 /nfs/dbraw/zinc/36/34/87/290363487.db2.gz LACPNPOESNWQEK-AWEZNQCLSA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N(C)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000558694681 290418216 /nfs/dbraw/zinc/41/82/16/290418216.db2.gz HFHCZHYCGSHYEL-INIZCTEOSA-N 2 0 293.455 1.659 10 0 CDAERP Cc1n[nH]c(C)c1CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000334311549 293004685 /nfs/dbraw/zinc/00/46/85/293004685.db2.gz GRFKJLXUHJJACY-GWCFXTLKSA-N 2 0 250.390 1.941 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)CC[N@@H+]1C ZINC000561180946 293058714 /nfs/dbraw/zinc/05/87/14/293058714.db2.gz JVHYADHLSBOILJ-IJEWVQPXSA-N 2 0 294.443 1.254 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000561259758 293070628 /nfs/dbraw/zinc/07/06/28/293070628.db2.gz SYGXCSXDOXNDMQ-JKSUJKDBSA-N 2 0 293.455 1.805 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000423028954 293098306 /nfs/dbraw/zinc/09/83/06/293098306.db2.gz UFXDGUJLYSPHMO-IHRRRGAJSA-N 2 0 272.433 1.924 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)NCC1([NH3+])CCC1 ZINC000563086309 293267803 /nfs/dbraw/zinc/26/78/03/293267803.db2.gz CDBKYJDYDWTRPX-LBPRGKRZSA-N 2 0 253.390 1.249 10 0 CDAERP COC[C@]1(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CCC[NH2+]1 ZINC000423412784 293294520 /nfs/dbraw/zinc/29/45/20/293294520.db2.gz IODJDQPUTJSKNE-LVQVYYBASA-N 2 0 281.444 1.217 10 0 CDAERP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000565894403 293706049 /nfs/dbraw/zinc/70/60/49/293706049.db2.gz MOPXKWQOKBAJAZ-WHOFXGATSA-N 2 0 273.380 1.069 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H](CO)Cc2ccc(F)c(F)c2)C1 ZINC000571061493 294363637 /nfs/dbraw/zinc/36/36/37/294363637.db2.gz VXJPZMDWCBJRFD-BFHYXJOUSA-N 2 0 298.377 1.975 10 0 CDAERP [NH3+][C@H]1CCC[C@H](C(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC000336597732 295337015 /nfs/dbraw/zinc/33/70/15/295337015.db2.gz UBBRMDWHAYRBMN-GJZGRUSLSA-N 2 0 293.455 1.981 10 0 CDAERP O=C(NCCC[NH+]1CCCCC1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000252431136 295641258 /nfs/dbraw/zinc/64/12/58/295641258.db2.gz CDMADNQUFCJAOI-OAGGEKHMSA-N 2 0 293.455 1.899 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000251908755 297099495 /nfs/dbraw/zinc/09/94/95/297099495.db2.gz XADBYQSQLSHMMC-KMFMINBZSA-N 2 0 287.407 1.556 10 0 CDAERP COCCC[N@H+](CCOC)C[C@H](C)C[NH2+]CC(C)C ZINC000052543223 523253650 /nfs/dbraw/zinc/25/36/50/523253650.db2.gz ITQSHHMBAKMVRS-OAHLLOKOSA-N 2 0 274.449 1.853 10 0 CDAERP C[C@H](CCC(F)(F)F)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000346449668 298378368 /nfs/dbraw/zinc/37/83/68/298378368.db2.gz OOOKVAOCDLVODJ-SNVBAGLBSA-N 2 0 268.323 1.764 10 0 CDAERP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262326713 300570321 /nfs/dbraw/zinc/57/03/21/300570321.db2.gz GCMONNWUIWZIKM-UKTARXLSSA-N 2 0 265.401 1.023 10 0 CDAERP Cc1ccc2c(c1)[C@@H]([NH2+]CCN1CC[NH2+]CC1)CCCO2 ZINC000423202415 301903810 /nfs/dbraw/zinc/90/38/10/301903810.db2.gz KOSHXPIXPXJISU-INIZCTEOSA-N 2 0 289.423 1.704 10 0 CDAERP C[C@@H](C[NH2+]C/C=C\Cl)NC(=O)CCc1cncn1C ZINC001669728734 1173590738 /nfs/dbraw/zinc/59/07/38/1173590738.db2.gz OCTSGNKWSYDQHO-UUSYTGMJSA-N 2 0 284.791 1.200 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCF ZINC001671589737 1173690135 /nfs/dbraw/zinc/69/01/35/1173690135.db2.gz SJRVCLOMXYEPIJ-CABCVRRESA-N 2 0 299.434 1.753 10 0 CDAERP CCCC[C@@H](C[NH3+])NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000563625194 316346434 /nfs/dbraw/zinc/34/64/34/316346434.db2.gz UKALYGSCVGLXPT-KBPBESRZSA-N 2 0 269.433 1.885 10 0 CDAERP CC[C@H](C)C[C@H](C)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000566115617 316481016 /nfs/dbraw/zinc/48/10/16/316481016.db2.gz DYTIUNQPDUOBNQ-KKUMJFAQSA-N 2 0 271.449 1.009 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](C)C1 ZINC000577624523 317370694 /nfs/dbraw/zinc/37/06/94/317370694.db2.gz MSVMOCTXTFAHNO-ILXRZTDVSA-N 2 0 281.444 1.517 10 0 CDAERP CCCCC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001672332302 1173767147 /nfs/dbraw/zinc/76/71/47/1173767147.db2.gz DTKTWOGXIHPFNU-CVEARBPZSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CC1 ZINC000578232914 317497083 /nfs/dbraw/zinc/49/70/83/317497083.db2.gz QEWSRQJGWRTHET-OAGGEKHMSA-N 2 0 283.460 1.153 10 0 CDAERP CCCCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001672408767 1173769745 /nfs/dbraw/zinc/76/97/45/1173769745.db2.gz NANOTDJTSHZUIY-OWCLPIDISA-N 2 0 293.455 1.661 10 0 CDAERP Cn1nc(C2CC2)nc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000579959070 324329580 /nfs/dbraw/zinc/32/95/80/324329580.db2.gz YOZDONNSHMLGOB-BETUJISGSA-N 2 0 275.400 1.124 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000584102733 326956170 /nfs/dbraw/zinc/95/61/70/326956170.db2.gz JKBCHCJUBVIYLZ-URGYJCLVSA-N 2 0 294.443 1.301 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000584166992 327054766 /nfs/dbraw/zinc/05/47/66/327054766.db2.gz ZVLQLKMJZUGVKZ-KFWWJZLASA-N 2 0 253.434 1.839 10 0 CDAERP CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001699016417 1159206891 /nfs/dbraw/zinc/20/68/91/1159206891.db2.gz QXCRGNZQZZBUEY-UONOGXRCSA-N 2 0 281.444 1.755 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267557833 1159459410 /nfs/dbraw/zinc/45/94/10/1159459410.db2.gz NMIXFTCZGHSIME-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP CCCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001481030531 1159485404 /nfs/dbraw/zinc/48/54/04/1159485404.db2.gz IRFQPCQULPPQDZ-HUUCEWRRSA-N 2 0 281.444 1.851 10 0 CDAERP CC(C)CC[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001481215240 1159578233 /nfs/dbraw/zinc/57/82/33/1159578233.db2.gz HPVJDKKGNMFYAQ-ZDUSSCGKSA-N 2 0 255.406 1.175 10 0 CDAERP CC[NH+](CC)C1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000395253320 1159631509 /nfs/dbraw/zinc/63/15/09/1159631509.db2.gz ONXOANAWPCJCFG-KGLIPLIRSA-N 3 0 253.434 1.920 10 0 CDAERP CC(C)[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC001482550913 1160377194 /nfs/dbraw/zinc/37/71/94/1160377194.db2.gz UUHNTHIJRPYWPY-KKUMJFAQSA-N 2 0 283.460 1.856 10 0 CDAERP [NH3+][C@@H]1CCC[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000446407233 482473721 /nfs/dbraw/zinc/47/37/21/482473721.db2.gz VOWKYWISAWRNBN-NDKCEZKHSA-N 2 0 265.401 1.293 10 0 CDAERP C[C@@]1(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CCC[NH2+]1 ZINC000079521459 482373445 /nfs/dbraw/zinc/37/34/45/482373445.db2.gz VLOGVKXHEJHKOV-ZFWWWQNUSA-N 2 0 265.401 1.215 10 0 CDAERP C[C@@]1(C(=O)NCCC[NH+]2CCCCC2)CCC[NH2+]1 ZINC000079511645 482388847 /nfs/dbraw/zinc/38/88/47/482388847.db2.gz CWIINKHDXSELGN-AWEZNQCLSA-N 2 0 253.390 1.121 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C1(N(C)C)CC1 ZINC000668430747 482434758 /nfs/dbraw/zinc/43/47/58/482434758.db2.gz NUTIUYCBDDKGCN-BETUJISGSA-N 2 0 267.417 1.460 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N(C)C1CC([NH3+])C1 ZINC000652291784 482459011 /nfs/dbraw/zinc/45/90/11/482459011.db2.gz IAEQDAOJVIGHJJ-UHFFFAOYSA-N 2 0 276.384 1.037 10 0 CDAERP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000684117327 482655061 /nfs/dbraw/zinc/65/50/61/482655061.db2.gz KOJPVGDBOWLIJW-KGLIPLIRSA-N 2 0 296.459 1.500 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CCC(C)(C)[NH3+] ZINC000094447020 482786393 /nfs/dbraw/zinc/78/63/93/482786393.db2.gz WNWGNTFPLPVHDQ-CHWSQXEVSA-N 2 0 267.417 1.589 10 0 CDAERP C[C@@H](C[NH2+][C@@H]1CCCSCC1)CN1CC[NH+](C)CC1 ZINC000657868632 482906332 /nfs/dbraw/zinc/90/63/32/482906332.db2.gz CEWTUXQSUFRVTR-LSDHHAIUSA-N 2 0 285.501 1.745 10 0 CDAERP COC[C@H](CC1CCOCC1)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000657876851 482907749 /nfs/dbraw/zinc/90/77/49/482907749.db2.gz OELZDDJTDQLWAV-HOTGVXAUSA-N 2 0 284.444 1.750 10 0 CDAERP CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@@H]([NH3+])C(C)C ZINC000136299065 482907981 /nfs/dbraw/zinc/90/79/81/482907981.db2.gz DYMYFFWQEYXVII-UONOGXRCSA-N 2 0 271.449 1.987 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000666930233 483006204 /nfs/dbraw/zinc/00/62/04/483006204.db2.gz FQGKRZZETPGRCY-CABCVRRESA-N 2 0 291.439 1.987 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089457853 483080830 /nfs/dbraw/zinc/08/08/30/483080830.db2.gz BXXPFNYKFHOZJL-UONOGXRCSA-N 2 0 269.433 1.408 10 0 CDAERP CC[C@H]1C[N@H+](CC)CCN1C(=O)N[C@H](C)c1nccn1C ZINC000667248881 483170241 /nfs/dbraw/zinc/17/02/41/483170241.db2.gz IAYJQBRDWPVUOJ-OLZOCXBDSA-N 2 0 293.415 1.607 10 0 CDAERP Cc1cc(C)n2c(C[NH2+][C@H]3CCC[C@H]([NH3+])C3)cnc2n1 ZINC000414907110 483293896 /nfs/dbraw/zinc/29/38/96/483293896.db2.gz AJUVHBDAGIMINA-STQMWFEESA-N 2 0 273.384 1.706 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(C)C2)[C@@H](C)C1 ZINC000675767412 483364182 /nfs/dbraw/zinc/36/41/82/483364182.db2.gz UKUCHPRDOPJGJU-BBWFWOEESA-N 2 0 297.487 1.807 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000136426805 483402296 /nfs/dbraw/zinc/40/22/96/483402296.db2.gz NNMAXHIXUQJTJM-HUUCEWRRSA-N 2 0 277.412 1.779 10 0 CDAERP c1ccc2c(c1)CC[C@H](C[N@H+]1C[C@H]3C[NH2+]C[C@H]3C1)C2 ZINC000679815967 483440359 /nfs/dbraw/zinc/44/03/59/483440359.db2.gz PCIMXAQWTLJVAP-RRQGHBQHSA-N 2 0 256.393 1.943 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CO[C@@H](C3CC3)C2)[C@@H](C)C1 ZINC000667877031 483469174 /nfs/dbraw/zinc/46/91/74/483469174.db2.gz BUGPIVICTHTZNU-CYUUQNCZSA-N 2 0 252.402 1.874 10 0 CDAERP COc1cccc(C[C@@H](C)[NH2+][C@@H]2CCCN(C)C2)n1 ZINC000679989507 483508673 /nfs/dbraw/zinc/50/86/73/483508673.db2.gz QGUFZCOFPIBHSE-TZMCWYRMSA-N 2 0 263.385 1.705 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CCCN(C)C1 ZINC000680111236 483539977 /nfs/dbraw/zinc/53/99/77/483539977.db2.gz PQFUAJAMTWLTAX-HNNXBMFYSA-N 2 0 285.395 1.760 10 0 CDAERP CC(C)[NH2+]CC1(C[NH+]2CCC(O)CC2)CCOCC1 ZINC000052180589 519719815 /nfs/dbraw/zinc/71/98/15/519719815.db2.gz OUMCXXUONPUSAP-UHFFFAOYSA-N 2 0 270.417 1.238 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)[C@@H]2CCSC2)O1 ZINC000052453587 519723996 /nfs/dbraw/zinc/72/39/96/519723996.db2.gz CKLZDCJPLDTDIL-HZSPNIEDSA-N 2 0 272.458 1.969 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C[NH2+]CCF)C2CC2)C1 ZINC001483584112 1160951131 /nfs/dbraw/zinc/95/11/31/1160951131.db2.gz VBOZGDVRUFSSLI-HUUCEWRRSA-N 2 0 299.434 1.562 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000061298491 519905909 /nfs/dbraw/zinc/90/59/09/519905909.db2.gz ZZEKSPOFYYWGMS-CQSZACIVSA-N 2 0 277.412 1.794 10 0 CDAERP CC[NH2+]CC1(CN2CCC[N@H+](C)CC2)CCOCC1 ZINC000052181070 519913187 /nfs/dbraw/zinc/91/31/87/519913187.db2.gz IXCDVHDAIOOXMT-UHFFFAOYSA-N 2 0 269.433 1.030 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000062076642 519936416 /nfs/dbraw/zinc/93/64/16/519936416.db2.gz OKLFFVJTZLLXCC-QWHCGFSZSA-N 2 0 255.406 1.080 10 0 CDAERP CC[NH2+]Cc1cn(CC[N@@H+]2CCC[C@@H]2CC)nn1 ZINC000052375163 520012165 /nfs/dbraw/zinc/01/21/65/520012165.db2.gz ZWTUMUIWYMWVEW-ZDUSSCGKSA-N 2 0 251.378 1.262 10 0 CDAERP CC[NH2+]Cc1cnc(N(C)[C@@H]2CCC[N@H+](C)C2)s1 ZINC000054905563 520014770 /nfs/dbraw/zinc/01/47/70/520014770.db2.gz HNSMRIJGQZSXQN-LLVKDONJSA-N 2 0 268.430 1.783 10 0 CDAERP CC[NH2+][C@](C)(CCCC[N@H+](CC)CC1CC1)C(N)=O ZINC000069239458 520227792 /nfs/dbraw/zinc/22/77/92/520227792.db2.gz KREBVNOXTLXOQL-OAHLLOKOSA-N 2 0 269.433 1.742 10 0 CDAERP CCO[C@@H]1CCC[N@H+](Cc2occc2C[NH2+]C)C1 ZINC000052372133 520318581 /nfs/dbraw/zinc/31/85/81/520318581.db2.gz KYBRKBMZSVAULB-CYBMUJFWSA-N 2 0 252.358 2.000 10 0 CDAERP CC[NH+](CC)CCSCC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000186691627 520706201 /nfs/dbraw/zinc/70/62/01/520706201.db2.gz CUBFJSQHZBFHFY-CHWSQXEVSA-N 2 0 287.473 1.176 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(CC[NH2+]CCCOC)C1 ZINC000062974253 520845720 /nfs/dbraw/zinc/84/57/20/520845720.db2.gz DNAUUOISOOFSPR-CQSZACIVSA-N 2 0 257.422 1.029 10 0 CDAERP CCC(CC)[N@H+](C)CCn1cc(C[NH2+]C(C)C)nn1 ZINC000052478131 521543452 /nfs/dbraw/zinc/54/34/52/521543452.db2.gz CHYZBWMEOSJJET-UHFFFAOYSA-N 2 0 267.421 1.897 10 0 CDAERP C[NH+](C)CCN1CCN([C@@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000061643934 521764096 /nfs/dbraw/zinc/76/40/96/521764096.db2.gz YFMQTNRBCGDCHB-HZPDHXFCSA-N 2 0 282.476 1.216 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(c2ccc(C(N)=[NH2+])cn2)CC1 ZINC000055067147 522134459 /nfs/dbraw/zinc/13/44/59/522134459.db2.gz MYASUHAKCGTGPI-LLVKDONJSA-N 2 0 261.373 1.286 10 0 CDAERP C(C[C@H]1CCC[NH2+]1)CN1CC[NH+](CC2CC2)CC1 ZINC000052764444 518396369 /nfs/dbraw/zinc/39/63/69/518396369.db2.gz VUOSOKJBZCKIJO-OAHLLOKOSA-N 2 0 251.418 1.546 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)C[C@H]1CCC[C@H]([NH3+])C1 ZINC000055131948 519621064 /nfs/dbraw/zinc/62/10/64/519621064.db2.gz XUDQIDPHIYBYIK-STQMWFEESA-N 2 0 255.406 1.350 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)C[C@H]1CCC[C@H]([NH3+])C1 ZINC000055134781 519715808 /nfs/dbraw/zinc/71/58/08/519715808.db2.gz ZIRUGYZSOBCQKH-GJZGRUSLSA-N 2 0 283.460 1.940 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CC[C@@H](C[NH+]2CCC(C[NH+](C)C)CC2)O1 ZINC000052515458 519723934 /nfs/dbraw/zinc/72/39/34/519723934.db2.gz MKNKRPXWTXCGAS-IRXDYDNUSA-N 3 0 297.487 1.806 10 0 CDAERP CC(C)C[NH+]1CCN([C@H](C[NH3+])C(F)(F)F)CC1 ZINC000055076923 519728085 /nfs/dbraw/zinc/72/80/85/519728085.db2.gz UMDTXQZPXSKPDN-SNVBAGLBSA-N 2 0 253.312 1.150 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)[C@H]1C[C@@H]([NH3+])CC[C@@H]1C ZINC000055139185 519814223 /nfs/dbraw/zinc/81/42/23/519814223.db2.gz RAQBWZPJXIWMOU-XUXIUFHCSA-N 2 0 269.433 1.452 10 0 CDAERP CC(C)[C@H](C[NH2+][C@@H]1CCCSC1)N1CC[NH+](C)CC1 ZINC000061589013 519816186 /nfs/dbraw/zinc/81/61/86/519816186.db2.gz KLUFWINYXJEMGA-CABCVRRESA-N 2 0 285.501 1.744 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)C(C)(C)[NH2+]C)CC1 ZINC000061331657 519843238 /nfs/dbraw/zinc/84/32/38/519843238.db2.gz HQLYNNORYDOQKT-UHFFFAOYSA-N 2 0 255.406 1.317 10 0 CDAERP CCOCC[N@H+](CC)Cc1ccnc(C(N)=[NH2+])c1 ZINC000068762053 519908876 /nfs/dbraw/zinc/90/88/76/519908876.db2.gz OQUGWHCPOMSPEV-UHFFFAOYSA-N 2 0 250.346 1.224 10 0 CDAERP CC[NH2+]CC1(C[N@@H+]2CCC[C@@H]2CCCO)CCOCC1 ZINC000052763420 519912719 /nfs/dbraw/zinc/91/27/19/519912719.db2.gz XEDYKJUAFUZJCJ-OAHLLOKOSA-N 2 0 284.444 1.630 10 0 CDAERP CCC[NH2+]C[C@@H]1CCN(CC(C)(C)C[NH+](C)C)C1 ZINC000053010831 519923160 /nfs/dbraw/zinc/92/31/60/519923160.db2.gz XRNHXLYYASDZPO-AWEZNQCLSA-N 2 0 255.450 1.896 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000061265991 519933265 /nfs/dbraw/zinc/93/32/65/519933265.db2.gz NVKKJJCHWKSTST-CYBMUJFWSA-N 2 0 269.433 1.565 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000061267142 519936320 /nfs/dbraw/zinc/93/63/20/519936320.db2.gz NVASXFAGFAVHTO-VXGBXAGGSA-N 2 0 283.441 1.713 10 0 CDAERP CC[NH2+]C[C@@H](CC)N1CC[NH+](C2CCCC2)CC1 ZINC000052573462 519944232 /nfs/dbraw/zinc/94/42/32/519944232.db2.gz PVDHZBMCXXVYDL-CQSZACIVSA-N 2 0 253.434 1.935 10 0 CDAERP CCC[NH2+]Cc1cc(CN2CCC[C@@H]2C[NH+](C)C)on1 ZINC000061654426 519944193 /nfs/dbraw/zinc/94/41/93/519944193.db2.gz ANICGRRIMHIZJV-CQSZACIVSA-N 2 0 280.416 1.700 10 0 CDAERP CCC[NH2+]Cc1ccc(N2CC[NH+](CC(C)C)CC2)nn1 ZINC000055082514 519950867 /nfs/dbraw/zinc/95/08/67/519950867.db2.gz NJYRVOUCEJWPDW-UHFFFAOYSA-N 2 0 291.443 1.754 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@@H](C[NH+]2CCC(COC)CC2)O1 ZINC000070082992 519952060 /nfs/dbraw/zinc/95/20/60/519952060.db2.gz VIDYPOWYUSHWHA-GJZGRUSLSA-N 2 0 270.417 1.502 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@H](C[N@H+](CCCOC)CCOC)O1 ZINC000052543302 519979056 /nfs/dbraw/zinc/97/90/56/519979056.db2.gz UYQCHLGBPRPNIG-HUUCEWRRSA-N 2 0 288.432 1.128 10 0 CDAERP CC[NH2+]Cc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000052379399 519999824 /nfs/dbraw/zinc/99/98/24/519999824.db2.gz NAWDEZXBFDICLM-UHFFFAOYSA-N 2 0 277.412 1.422 10 0 CDAERP CCC[NH2+][C@@H]1CCOC[C@@H]1N1CC[NH+](CC(C)C)CC1 ZINC000055079406 520025594 /nfs/dbraw/zinc/02/55/94/520025594.db2.gz IDDOUKGGHMHGCU-CVEARBPZSA-N 2 0 283.460 1.417 10 0 CDAERP CC[NH2+][C@@H](CN1CCC(C[NH+](C)C)CC1)C1CC1 ZINC000069074379 520097455 /nfs/dbraw/zinc/09/74/55/520097455.db2.gz VPPRCRFERKYNGM-HNNXBMFYSA-N 2 0 253.434 1.648 10 0 CDAERP CC[NH2+][C@@H](CN1CCC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000069075267 520098030 /nfs/dbraw/zinc/09/80/30/520098030.db2.gz HHCVKFYUPXHNKN-CABCVRRESA-N 2 0 251.418 1.545 10 0 CDAERP CCCO[C@@H]1CCC[N@H+](Cc2ccnc(C[NH3+])c2)C1 ZINC000068750086 520275048 /nfs/dbraw/zinc/27/50/48/520275048.db2.gz JHZGMIOKEANLGL-OAHLLOKOSA-N 2 0 263.385 1.931 10 0 CDAERP CC[NH+](CC)CCC[C@@H](C)[NH2+]CCC(=O)NC1CC1 ZINC000054049488 520631317 /nfs/dbraw/zinc/63/13/17/520631317.db2.gz XAQWGQDEOYVWHY-CYBMUJFWSA-N 2 0 269.433 1.755 10 0 CDAERP CCC[C@@H](C[NH3+])C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000055085666 520705697 /nfs/dbraw/zinc/70/56/97/520705697.db2.gz UCIKFAHTSFYIES-ZDUSSCGKSA-N 2 0 255.406 1.162 10 0 CDAERP CC[NH+](CC)CCc1nc(C)c(CCC[NH3+])c(C)n1 ZINC000054836399 520711870 /nfs/dbraw/zinc/71/18/70/520711870.db2.gz ZFAXUTYRQKZTFP-UHFFFAOYSA-N 2 0 264.417 1.869 10 0 CDAERP CC[NH+](CC)CCn1cc(NCC2CC[NH+](C)CC2)cn1 ZINC000054243205 520714584 /nfs/dbraw/zinc/71/45/84/520714584.db2.gz ROVDXUYNZRIKEI-UHFFFAOYSA-N 2 0 293.459 1.979 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)NC[C@@H](C)[NH+](CC)CC ZINC000339943712 520732195 /nfs/dbraw/zinc/73/21/95/520732195.db2.gz KFFWNGINQHKVIS-UONOGXRCSA-N 2 0 286.464 1.746 10 0 CDAERP CC1CC[NH+](CCNC(=O)[C@@H]2CC[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000055136688 521013894 /nfs/dbraw/zinc/01/38/94/521013894.db2.gz WXHCVLFCFCWLKF-SOUVJXGZSA-N 2 0 281.444 1.598 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000055090319 521551356 /nfs/dbraw/zinc/55/13/56/521551356.db2.gz BOTLHAHEVHXDMS-KBPBESRZSA-N 2 0 267.417 1.352 10 0 CDAERP CC[NH+]1CCC(N(C)CC2(C[NH3+])CCOCC2)CC1 ZINC000052183213 521562550 /nfs/dbraw/zinc/56/25/50/521562550.db2.gz FQELVSUGULLRJI-UHFFFAOYSA-N 2 0 269.433 1.158 10 0 CDAERP CC[NH+]1CCC(N(C)c2nc(C)c(C[NH3+])s2)CC1 ZINC000055000536 521566648 /nfs/dbraw/zinc/56/66/48/521566648.db2.gz PLIDPIQCBAUWPI-UHFFFAOYSA-N 2 0 268.430 1.831 10 0 CDAERP CCC[N@H+](CCO)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052182905 521667328 /nfs/dbraw/zinc/66/73/28/521667328.db2.gz ZWEXPQYQDOORBR-UHFFFAOYSA-N 2 0 272.433 1.486 10 0 CDAERP C[NH+](C)CCN1CCN([C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000061643935 521768201 /nfs/dbraw/zinc/76/82/01/521768201.db2.gz YFMQTNRBCGDCHB-CVEARBPZSA-N 2 0 282.476 1.216 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H](C[NH3+])c1ccccc1 ZINC000061644048 521831118 /nfs/dbraw/zinc/83/11/18/521831118.db2.gz WZWLGBLPZUXPOV-LSDHHAIUSA-N 2 0 275.396 1.282 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1c1ccc(C[NH2+]C(C)(C)C)nn1 ZINC000061654246 521874191 /nfs/dbraw/zinc/87/41/91/521874191.db2.gz UDWCURCCPJBXHT-CQSZACIVSA-N 2 0 291.443 1.895 10 0 CDAERP C[NH2+]Cc1cccc(CN2CC[NH+](C(C)C)CC2)c1 ZINC000052480014 522128454 /nfs/dbraw/zinc/12/84/54/522128454.db2.gz HYNUOCYGBVPIKX-UHFFFAOYSA-N 2 0 261.413 1.932 10 0 CDAERP C[NH2+][C@@H](CN1CCC[C@@H]1C[NH+](C)C)c1ccccc1 ZINC000061643467 522354318 /nfs/dbraw/zinc/35/43/18/522354318.db2.gz ZQSLUIZKQOGTAD-CVEARBPZSA-N 2 0 261.413 1.973 10 0 CDAERP C[NH2+][C@@H]1CCCC[C@@H]1CN(C)CC[NH+]1CCCC1 ZINC000063053726 522377428 /nfs/dbraw/zinc/37/74/28/522377428.db2.gz BLXQDGCEWKMJOT-HUUCEWRRSA-N 2 0 253.434 1.792 10 0 CDAERP C[NH2+][C@@H]1CCCCC[C@@H]1N(C)CC[NH+]1CCCC1 ZINC000063051803 522377509 /nfs/dbraw/zinc/37/75/09/522377509.db2.gz KBUAQGPPMOKLIF-CABCVRRESA-N 2 0 253.434 1.935 10 0 CDAERP CC[C@@H](CC[NH3+])N1CCC[N@H+](CCOC(C)C)CC1 ZINC000049259268 522498221 /nfs/dbraw/zinc/49/82/21/522498221.db2.gz XONZYPNMBPNHDH-HNNXBMFYSA-N 2 0 271.449 1.547 10 0 CDAERP CN(C[C@](C)([NH3+])c1ccccc1)C1CC[NH+](C)CC1 ZINC000052883233 523150419 /nfs/dbraw/zinc/15/04/19/523150419.db2.gz WLHOZJPZCJNTJG-INIZCTEOSA-N 2 0 261.413 1.887 10 0 CDAERP COCC[N@H+](C)C[C@H]1CC[C@@H](C[NH2+]CC(C)C)O1 ZINC000052572945 523620809 /nfs/dbraw/zinc/62/08/09/523620809.db2.gz DLQIONNQMJTXHW-UONOGXRCSA-N 2 0 258.406 1.358 10 0 CDAERP C[N@H+]1CC=C(CNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000365652933 523746023 /nfs/dbraw/zinc/74/60/23/523746023.db2.gz YOFUJSNPCQMLFA-MRXNPFEDSA-N 2 0 297.418 1.577 10 0 CDAERP C[N@@H+]1CCCN(C(=O)CC2CCC([NH3+])CC2)CC1 ZINC000055124317 523800030 /nfs/dbraw/zinc/80/00/30/523800030.db2.gz MBKREDBCTFYPET-UHFFFAOYSA-N 2 0 253.390 1.058 10 0 CDAERP C[N@@H+]1CCCN(c2ccc(Cl)cc2C[NH3+])CC1 ZINC000052856620 523812555 /nfs/dbraw/zinc/81/25/55/523812555.db2.gz OIYTVTRQYRRVSL-UHFFFAOYSA-N 2 0 253.777 1.941 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C[C@]2(C[NH2+]C3CC3)CCOC2)CC1 ZINC000055071809 523955956 /nfs/dbraw/zinc/95/59/56/523955956.db2.gz BJLANFXGTJPYIK-DOTOQJQBSA-N 2 0 295.471 1.561 10 0 CDAERP C[C@@H]1CCCC[C@@H]1[NH2+]CCN1CCC[N@H+](C)CC1 ZINC000049591416 524142486 /nfs/dbraw/zinc/14/24/86/524142486.db2.gz JWSHTUPVMMSOFR-CABCVRRESA-N 2 0 253.434 1.792 10 0 CDAERP C[C@H]1CC[N@H+](CC2(C[NH2+]C3CC3)CCOCC2)C1 ZINC000052182194 524287115 /nfs/dbraw/zinc/28/71/15/524287115.db2.gz YETUGGKCMBVNMG-ZDUSSCGKSA-N 2 0 252.402 1.877 10 0 CDAERP C[C@@H]1CCC[C@H](C(=O)NCC[NH+]2CCCCCC2)[C@@H]1[NH3+] ZINC000055136236 524346153 /nfs/dbraw/zinc/34/61/53/524346153.db2.gz OZCGLEYIDGRBLN-QLFBSQMISA-N 2 0 281.444 1.742 10 0 CDAERP C[C@H]1CC[C@@H]([NH3+])C[C@@H]1C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000061656201 524360126 /nfs/dbraw/zinc/36/01/26/524360126.db2.gz NAEHVNZJHRXBNQ-DGAVXFQQSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@H]1CC[C@H](C(=O)N2CC[NH+](C3CCCC3)CC2)C[C@@H]1[NH3+] ZINC000055132580 524379590 /nfs/dbraw/zinc/37/95/90/524379590.db2.gz ODEPPUZQZKREOG-DZKIICNBSA-N 2 0 293.455 1.837 10 0 CDAERP C[C@@H]1CC[C@@H](C(=O)N2CCC([NH+](C)C)CC2)C[C@@H]1[NH3+] ZINC000055128186 524554660 /nfs/dbraw/zinc/55/46/60/524554660.db2.gz CHCSRNUFDUAAKA-BZPMIXESSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@@H](C[NH+]1CCCC1)NC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000049184794 524589412 /nfs/dbraw/zinc/58/94/12/524589412.db2.gz LGXOBSYVVLWLKD-ZFWWWQNUSA-N 2 0 275.396 1.677 10 0 CDAERP C[C@@H]1CC[C@H](C(=O)N2CCC([NH+](C)C)CC2)C[C@@H]1[NH3+] ZINC000055128183 524629707 /nfs/dbraw/zinc/62/97/07/524629707.db2.gz CHCSRNUFDUAAKA-DYEKYZERSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@H]1CN([C@@H](C[NH3+])c2cccc3cccnc32)CC[N@@H+]1C ZINC000069502808 524663691 /nfs/dbraw/zinc/66/36/91/524663691.db2.gz XPJYTFAMCJBDSD-BBRMVZONSA-N 2 0 284.407 1.871 10 0 CDAERP C[C@H]1C[C@H]([NH3+])CC[C@@H]1C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000055131598 524902873 /nfs/dbraw/zinc/90/28/73/524902873.db2.gz AGIWDHVGEQFZDO-DGAVXFQQSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@]([NH3+])(CCCC[NH+]1Cc2ccccc2C1)C(N)=O ZINC000050912342 525146942 /nfs/dbraw/zinc/14/69/42/525146942.db2.gz JDGSASHGYVWJGY-HNNXBMFYSA-N 2 0 261.369 1.375 10 0 CDAERP [NH3+]CC[C@@H]1CCC[C@H](C(=O)NCC[NH+]2CCCC2)C1 ZINC000055160846 527193261 /nfs/dbraw/zinc/19/32/61/527193261.db2.gz OMSSSAJJBHWATN-KBPBESRZSA-N 2 0 267.417 1.354 10 0 CDAERP [NH3+]C[C@@H](C1CCOCC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000052177279 527202322 /nfs/dbraw/zinc/20/23/22/527202322.db2.gz VYDCYNNEHDUIQR-KRWDZBQOSA-N 2 0 295.471 1.691 10 0 CDAERP [NH3+]C[C@@H](c1cccnc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062977796 527208390 /nfs/dbraw/zinc/20/83/90/527208390.db2.gz MDUAXPWCQZHTPZ-HOTGVXAUSA-N 2 0 274.412 1.642 10 0 CDAERP [NH3+]Cc1cc(CN2CCC([NH+]3CCCCC3)CC2)on1 ZINC000052484216 527247301 /nfs/dbraw/zinc/24/73/01/527247301.db2.gz JRIXETDTFAUDSC-UHFFFAOYSA-N 2 0 278.400 1.584 10 0 CDAERP [NH3+][C@@H]1CCC[C@H](C(=O)NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000188736435 527356680 /nfs/dbraw/zinc/35/66/80/527356680.db2.gz DYJIMKQQTPBCDU-SWLSCSKDSA-N 2 0 273.380 1.424 10 0 CDAERP Cc1nccn1CC[N@@H+](C)Cc1ccc(C[NH3+])cc1 ZINC000049329636 527423782 /nfs/dbraw/zinc/42/37/82/527423782.db2.gz WTKXCECDCNMZIF-UHFFFAOYSA-N 2 0 258.369 1.782 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000262462410 535133548 /nfs/dbraw/zinc/13/35/48/535133548.db2.gz VXZVLVQCPAKEKA-KKUMJFAQSA-N 2 0 281.444 1.469 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)C1 ZINC000418602338 535258531 /nfs/dbraw/zinc/25/85/31/535258531.db2.gz VIPJVISMPBQZHZ-ILXRZTDVSA-N 2 0 296.459 1.358 10 0 CDAERP CC[NH+](CC)CCCNC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000416810656 535514920 /nfs/dbraw/zinc/51/49/20/535514920.db2.gz JDJHZHDSIAAEOW-AWEZNQCLSA-N 2 0 284.448 1.407 10 0 CDAERP CC[NH+](CC)CCNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105069495 535532468 /nfs/dbraw/zinc/53/24/68/535532468.db2.gz HIEJDQRQKDMKLJ-CQSZACIVSA-N 2 0 282.432 1.208 10 0 CDAERP CC[C@@H](C)[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000182704756 535654891 /nfs/dbraw/zinc/65/48/91/535654891.db2.gz SLWFWSANOSPBIK-MGPQQGTHSA-N 2 0 269.433 1.596 10 0 CDAERP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cncn2C(C)C)CC1 ZINC000424137309 535729653 /nfs/dbraw/zinc/72/96/53/535729653.db2.gz RYHCVPSJNVQASE-HNNXBMFYSA-N 2 0 293.459 1.580 10 0 CDAERP C[NH+](C)CCOC1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261765905 535893629 /nfs/dbraw/zinc/89/36/29/535893629.db2.gz MBISKXDNIQWGBQ-HNNXBMFYSA-N 3 0 269.433 1.029 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCn1ccnc1C(C)C ZINC000732307511 575087581 /nfs/dbraw/zinc/08/75/81/575087581.db2.gz IIZUVAZULCCJOE-CQSZACIVSA-N 2 0 292.427 1.997 10 0 CDAERP CC[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CC1)[NH+](C)C ZINC001688893458 1175057285 /nfs/dbraw/zinc/05/72/85/1175057285.db2.gz DZZHGWJPVRHBJQ-UONOGXRCSA-N 2 0 267.417 1.269 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001688897626 1175059212 /nfs/dbraw/zinc/05/92/12/1175059212.db2.gz ZSIQONHDZDCWFQ-DWTRPJMMSA-N 2 0 293.455 1.971 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1CC ZINC001689184381 1175107135 /nfs/dbraw/zinc/10/71/35/1175107135.db2.gz BIJXLGHPXPPGQE-QWHCGFSZSA-N 2 0 255.406 1.317 10 0 CDAERP [NH3+][C@H]1C[C@@H]([NH2+]CCc2ccc3c(c2)OCO3)C12CCC2 ZINC000925512005 617416231 /nfs/dbraw/zinc/41/62/31/617416231.db2.gz YCXBFVPHQSSLPQ-LSDHHAIUSA-N 2 0 274.364 1.817 10 0 CDAERP CC(=O)NCCC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925518915 617429240 /nfs/dbraw/zinc/42/92/40/617429240.db2.gz PWUJCTYCCHXXEK-GJZGRUSLSA-N 2 0 267.417 1.271 10 0 CDAERP COCCOCCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925520024 617431422 /nfs/dbraw/zinc/43/14/22/617431422.db2.gz QDWIEWSPVSMJSC-ZDUSSCGKSA-N 2 0 256.390 1.304 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000926673026 617432290 /nfs/dbraw/zinc/43/22/90/617432290.db2.gz OXKPXZFJOBNTJA-MBOZISHXSA-N 2 0 265.445 1.789 10 0 CDAERP C[C@H](NC[C@@]1(O)CC[N@H+](C)C1)c1cnn(C2CCC2)c1 ZINC000926174154 617442760 /nfs/dbraw/zinc/44/27/60/617442760.db2.gz QBFMXZDALOIGNG-WFASDCNBSA-N 2 0 278.400 1.325 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1C[C@H](C)n2ncnc21 ZINC000926686540 617447519 /nfs/dbraw/zinc/44/75/19/617447519.db2.gz QCLRIDQETPXYDI-MELADBBJSA-N 2 0 294.447 1.146 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@H]2COC3(CCOCC3)O2)C1 ZINC000925628494 617576358 /nfs/dbraw/zinc/57/63/58/617576358.db2.gz HPKJDFVXZOSDHU-MCIONIFRSA-N 2 0 298.427 1.404 10 0 CDAERP C[NH+](C)C1(C)CCC([NH2+][C@H]2C(=O)NCC2(C)C)CC1 ZINC000926795340 617577820 /nfs/dbraw/zinc/57/78/20/617577820.db2.gz GXYOKLNAYVPRHK-AVERBVTBSA-N 2 0 267.417 1.364 10 0 CDAERP CC1(C)[C@@H]([NH2+]C[C@]2(C)CCC(=O)N2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925686899 617677328 /nfs/dbraw/zinc/67/73/28/617677328.db2.gz ZEYPNUOAAFFCNA-HTUGSXCWSA-N 2 0 265.401 1.021 10 0 CDAERP C[NH+](C)CCOCC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925649599 617592001 /nfs/dbraw/zinc/59/20/01/617592001.db2.gz LRCMBKQXNFXDIL-QWHCGFSZSA-N 3 0 257.422 1.060 10 0 CDAERP Cc1nnc(CC[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)o1 ZINC000931684218 617643044 /nfs/dbraw/zinc/64/30/44/617643044.db2.gz PLYWIWGUKPNEFJ-LBPRGKRZSA-N 2 0 287.367 1.526 10 0 CDAERP C[NH+]1C[C@@]2(C)CN(Cc3ccc(C(N)=O)cc3)C[C@]2(C)C1 ZINC000931307877 617700533 /nfs/dbraw/zinc/70/05/33/617700533.db2.gz MPDJNNDEBBOMKZ-IRXDYDNUSA-N 2 0 287.407 1.559 10 0 CDAERP C(C[C@@H]1CC[NH2+]C1)[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925694709 617715684 /nfs/dbraw/zinc/71/56/84/617715684.db2.gz SCYOBCVHGURIRP-CWRNSKLLSA-N 3 0 265.445 1.744 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925791556 617716963 /nfs/dbraw/zinc/71/69/63/617716963.db2.gz AZFXHPAHWSDDAN-SIXLDLHFSA-N 3 0 279.472 1.990 10 0 CDAERP CC(C)O[C@H]1C[C@@H]([NH2+]CCN2CCC([NH3+])CC2)C1(C)C ZINC000925811978 617755220 /nfs/dbraw/zinc/75/52/20/617755220.db2.gz LPHAFGYXZFPRKG-CABCVRRESA-N 2 0 283.460 1.591 10 0 CDAERP CC1(C)CCCC[C@@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925814670 617762986 /nfs/dbraw/zinc/76/29/86/617762986.db2.gz LAPUNRYELRTKQI-AWEZNQCLSA-N 2 0 253.434 1.968 10 0 CDAERP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@@H]1CC[NH2+]C3(CCC3)C1)[NH2+]2 ZINC000925703269 617765870 /nfs/dbraw/zinc/76/58/70/617765870.db2.gz CPGNVDRQDGKSLN-KHMAMNHCSA-N 2 0 263.429 1.780 10 0 CDAERP C[C@@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000925833373 617859063 /nfs/dbraw/zinc/85/90/63/617859063.db2.gz HIEXRLSWPBQICP-GMTAPVOTSA-N 2 0 267.339 1.599 10 0 CDAERP C[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cncs1 ZINC000925849692 617885639 /nfs/dbraw/zinc/88/56/39/617885639.db2.gz FAIDMQCXFYEVBL-MNOVXSKESA-N 2 0 295.408 1.479 10 0 CDAERP C[C@H]([NH2+][C@@H]1CNOC1)c1cccc(OCC[NH+](C)C)c1 ZINC000925863919 617908362 /nfs/dbraw/zinc/90/83/62/617908362.db2.gz ORTQDJJHFKDCEW-GXTWGEPZSA-N 2 0 279.384 1.181 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CC2(CO1)CCOCC2 ZINC000925731373 618033515 /nfs/dbraw/zinc/03/35/15/618033515.db2.gz BCBDGOFZYRRLDP-LXINESAQSA-N 2 0 294.439 1.678 10 0 CDAERP C([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)[C@@H]1C[C@H]1C1CCOCC1 ZINC000925734446 618053553 /nfs/dbraw/zinc/05/35/53/618053553.db2.gz PSZOHTGBYYZVCP-UJDJNWPZSA-N 2 0 276.424 1.635 10 0 CDAERP COCCC[NH+]1CCC([NH2+][C@@H]2CO[C@@H](C)[C@H]2C)CC1 ZINC000924911305 618746626 /nfs/dbraw/zinc/74/66/26/618746626.db2.gz FMBBTKUQIIGNRQ-VNHYZAJKSA-N 2 0 270.417 1.500 10 0 CDAERP C(CC[NH+]1CCOCC1)C[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902748062 625311673 /nfs/dbraw/zinc/31/16/73/625311673.db2.gz KMOWSVFILSOMQL-FIDHJVLJSA-N 2 0 294.439 1.502 10 0 CDAERP CC1(C)CCC[N@@H+]1CCNC(=O)C12CC[NH+](CC1)C2 ZINC000909428479 619253692 /nfs/dbraw/zinc/25/36/92/619253692.db2.gz DTXAMUSDXIGAST-UHFFFAOYSA-N 2 0 265.401 1.073 10 0 CDAERP Cc1n[nH]c(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1C ZINC000895417762 619650163 /nfs/dbraw/zinc/65/01/63/619650163.db2.gz GQMQWHNRVPJIOS-HUUCEWRRSA-N 2 0 293.459 1.198 10 0 CDAERP CC[C@@H]1CCN(C(=[NH2+])NCC[N@@H+]2CC[C@H](C)C2)C1 ZINC000864455904 620923121 /nfs/dbraw/zinc/92/31/21/620923121.db2.gz APQLESGWMLUPLU-QWHCGFSZSA-N 2 0 252.406 1.584 10 0 CDAERP CC[C@H](C[C@@](C)(O)CC)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000924628829 621599008 /nfs/dbraw/zinc/59/90/08/621599008.db2.gz LTYVLXUJHXGHIP-WBVHZDCISA-N 2 0 299.503 1.932 10 0 CDAERP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccns1 ZINC000924633753 621613788 /nfs/dbraw/zinc/61/37/88/621613788.db2.gz SNQGAWXRDOBYCO-LBPRGKRZSA-N 2 0 282.457 1.820 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2NC[C@H]1CC[NH+](C2CC2)C1 ZINC000924651173 621635709 /nfs/dbraw/zinc/63/57/09/621635709.db2.gz WJMLXXLIKLJVCQ-GODZRQRCSA-N 2 0 263.429 1.401 10 0 CDAERP C[C@@H]([NH2+]CC[C@@H]1CNC(=O)C1)c1cccc(C[NH+](C)C)c1 ZINC000926979925 621640775 /nfs/dbraw/zinc/64/07/75/621640775.db2.gz MWWNWAUIYDJQHS-KGLIPLIRSA-N 2 0 289.423 1.925 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC000898986957 622009450 /nfs/dbraw/zinc/00/94/50/622009450.db2.gz RWBWOUSMVYGPCI-INIZCTEOSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC(CC)([NH+]2CCC2)CC1 ZINC000899562390 622307211 /nfs/dbraw/zinc/30/72/11/622307211.db2.gz RILLRFUPEBEXCR-UHFFFAOYSA-N 2 0 281.444 1.805 10 0 CDAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[N@@H+]1CCCC[C@H]1C ZINC000900198606 622788118 /nfs/dbraw/zinc/78/81/18/622788118.db2.gz HKFJSISQDWGRRL-ZIAGYGMSSA-N 2 0 279.428 1.461 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC000900524261 623156111 /nfs/dbraw/zinc/15/61/11/623156111.db2.gz XYWFJPWJEBJZQT-ZNMIVQPWSA-N 2 0 281.444 1.850 10 0 CDAERP C1C[C@@H]2[NH2+][C@H]1C[C@H]2[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000902469614 624862970 /nfs/dbraw/zinc/86/29/70/624862970.db2.gz YQUKXZHSWPABQF-ZAQNNHEOSA-N 2 0 250.386 1.674 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]C[C@]2(OC)CCSC2)[C@@H](C)C1 ZINC000903311446 625969805 /nfs/dbraw/zinc/96/98/05/625969805.db2.gz UEXVRZGJSCBBGO-MELADBBJSA-N 2 0 272.458 1.828 10 0 CDAERP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903444959 625998626 /nfs/dbraw/zinc/99/86/26/625998626.db2.gz GNAHMYFXMRWJHI-PMPSAXMXSA-N 3 0 265.445 1.778 10 0 CDAERP C[C@@H](C1CC1)N(C(=O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1)C1CC1 ZINC000903496729 626012263 /nfs/dbraw/zinc/01/22/63/626012263.db2.gz AIJCQJDTPNBYCY-VNHYZAJKSA-N 2 0 293.455 1.693 10 0 CDAERP CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](CCCCCC[NH3+])C[C@@H]21 ZINC000903564516 626020733 /nfs/dbraw/zinc/02/07/33/626020733.db2.gz YIJMATOYSWVHNK-HZSPNIEDSA-N 2 0 268.401 1.637 10 0 CDAERP C([C@H]1CC2(CCC2)CO1)[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903818778 626102134 /nfs/dbraw/zinc/10/21/34/626102134.db2.gz VFHFRJYDUFCUAK-OAHLLOKOSA-N 2 0 294.439 1.790 10 0 CDAERP O=C1C[C@@H]([C@H]2CCCC[N@@H+]2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CN1 ZINC000903899214 626138099 /nfs/dbraw/zinc/13/80/99/626138099.db2.gz RAMHWJMJVNBMCF-KMVIYXDESA-N 2 0 291.439 1.508 10 0 CDAERP [NH3+][C@H](CC(F)F)CN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000903920618 626147280 /nfs/dbraw/zinc/14/72/80/626147280.db2.gz WLIRHAJVNLUAAR-TUAOUCFPSA-N 2 0 261.360 1.433 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CC[C@@H](C3CCC3)C2)cnn1C ZINC000903930017 626151089 /nfs/dbraw/zinc/15/10/89/626151089.db2.gz QELJNORSDUCKGQ-GOEBONIOSA-N 2 0 290.455 1.968 10 0 CDAERP Nc1ccc2c(c1)CN(C[C@@]13C[C@@H]1C[NH2+]C3)CCO2 ZINC000903945407 626162549 /nfs/dbraw/zinc/16/25/49/626162549.db2.gz SWAGUCBTXYZYSK-DOMZBBRYSA-N 2 0 259.353 1.073 10 0 CDAERP Cc1nc2ccccn2c1CNC[C@H]1C[NH2+]CCC1(F)F ZINC000903955244 626166638 /nfs/dbraw/zinc/16/66/38/626166638.db2.gz NQYAGYDTBXZZNV-GFCCVEGCSA-N 2 0 294.349 1.977 10 0 CDAERP CCN(C)c1ccc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cn1 ZINC000903978708 626170077 /nfs/dbraw/zinc/17/00/77/626170077.db2.gz USMPYMPUTAYHHW-UKRRQHHQSA-N 2 0 276.428 1.954 10 0 CDAERP COC(=O)C1CCC([NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903979060 626170488 /nfs/dbraw/zinc/17/04/88/626170488.db2.gz ULHOVWHORTWMLB-NELGMTEASA-N 2 0 268.401 1.553 10 0 CDAERP CCc1noc(C2CCC([NH2+][C@@H]3C[NH2+]C[C@H]3C)CC2)n1 ZINC000903964323 626171041 /nfs/dbraw/zinc/17/10/41/626171041.db2.gz MXBBUAOSJTXHNH-IKWCTNDRSA-N 2 0 278.400 1.856 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000903965132 626171914 /nfs/dbraw/zinc/17/19/14/626171914.db2.gz WNGRYNFZHMKODK-ZBFHGGJFSA-N 3 0 291.439 1.572 10 0 CDAERP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)o1 ZINC000903967516 626172159 /nfs/dbraw/zinc/17/21/59/626172159.db2.gz KGSLGSXGHJDZFF-PWSUYJOCSA-N 2 0 274.368 1.923 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CNC1CC[NH+](CC2CC2)CC1 ZINC000903967680 626172297 /nfs/dbraw/zinc/17/22/97/626172297.db2.gz KMEUQDFLHAVZPE-OCCSQVGLSA-N 2 0 251.418 1.306 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)C[C@@H]1C ZINC000903968236 626172674 /nfs/dbraw/zinc/17/26/74/626172674.db2.gz RWLWHPOBVPMTCK-XPABHHOTSA-N 2 0 282.428 1.799 10 0 CDAERP C[C@]1(C[NH+]2CCC([C@@]3(C)COC(=O)N3)CC2)CC[NH2+]C1 ZINC000903985925 626174041 /nfs/dbraw/zinc/17/40/41/626174041.db2.gz CUFKXTXABLVHES-LSDHHAIUSA-N 2 0 281.400 1.197 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCc1cn2ccsc2n1 ZINC000924802881 626746238 /nfs/dbraw/zinc/74/62/38/626746238.db2.gz XRDQNRLDVFSXBI-QYJAPNMZSA-N 2 0 276.409 1.826 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC000906676071 627368657 /nfs/dbraw/zinc/36/86/57/627368657.db2.gz IMTGIZPWMJFRCH-ZDUSSCGKSA-N 2 0 267.417 1.461 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC000912047115 629753072 /nfs/dbraw/zinc/75/30/72/629753072.db2.gz IOXGGZRWBIVBQP-APIJFGDWSA-N 2 0 279.428 1.460 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000913290812 630438300 /nfs/dbraw/zinc/43/83/00/630438300.db2.gz RWMFDLKSOFLEMI-OIISXLGYSA-N 2 0 293.455 1.661 10 0 CDAERP C([C@@H]1CCC2(COC2)O1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000929685345 630706781 /nfs/dbraw/zinc/70/67/81/630706781.db2.gz ADLBHYGIUSPYJP-CVEARBPZSA-N 2 0 294.439 1.885 10 0 CDAERP C[C@H]1[C@@H](NC(=O)NCCC[NH+]2CCC(C)CC2)CC[N@@H+]1C ZINC000913936990 630904259 /nfs/dbraw/zinc/90/42/59/630904259.db2.gz FRIVQYNCXJQKBO-GJZGRUSLSA-N 2 0 296.459 1.500 10 0 CDAERP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2C[C@H]3COC[C@H]3O2)C1 ZINC000929788723 630996920 /nfs/dbraw/zinc/99/69/20/630996920.db2.gz BJGFJXZFIZAPNN-ZQDZILKHSA-N 2 0 268.401 1.064 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000914336693 631358168 /nfs/dbraw/zinc/35/81/68/631358168.db2.gz CLWDNQNGXODSKP-MCIONIFRSA-N 2 0 282.432 1.110 10 0 CDAERP CCC[NH+](CCC)CCCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000916554182 632013925 /nfs/dbraw/zinc/01/39/25/632013925.db2.gz FGLHUVLEDWBSRS-GJZGRUSLSA-N 2 0 298.475 1.890 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000916874326 632095796 /nfs/dbraw/zinc/09/57/96/632095796.db2.gz VTNKYCCYXWSNHC-QLFBSQMISA-N 2 0 296.459 1.499 10 0 CDAERP CC[N@H+](C)CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001690983191 1158513197 /nfs/dbraw/zinc/51/31/97/1158513197.db2.gz AEMPKNNGFCZCMZ-STQMWFEESA-N 2 0 253.390 1.071 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001266760696 1158806822 /nfs/dbraw/zinc/80/68/22/1158806822.db2.gz KXTMDAADGRQAML-ZDUSSCGKSA-N 2 0 255.406 1.176 10 0 CDAERP CC(C)C[C@H](C)C[NH2+]CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001266988178 1159070507 /nfs/dbraw/zinc/07/05/07/1159070507.db2.gz GFXARICVTBZDKN-HNNXBMFYSA-N 2 0 295.471 1.812 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CCCF ZINC001266944059 1159005681 /nfs/dbraw/zinc/00/56/81/1159005681.db2.gz FPHSCJGPDIWFPI-HIFRSBDPSA-N 2 0 299.434 1.847 10 0 CDAERP CN(CC[NH2+]CC1=CCCCC1)C(=O)C1CC[NH+](C)CC1 ZINC001691459464 1159319581 /nfs/dbraw/zinc/31/95/81/1159319581.db2.gz ZOUDCOIQFOFRNG-UHFFFAOYSA-N 2 0 293.455 1.877 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N(C)CC2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000334433023 1161118080 /nfs/dbraw/zinc/11/80/80/1161118080.db2.gz XDZBRJQCDZIRFS-ZFWWWQNUSA-N 2 0 281.444 1.517 10 0 CDAERP CN1Cc2ccccc2[C@@H]1CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870979144 1165247002 /nfs/dbraw/zinc/24/70/02/1165247002.db2.gz GWDJMRFDRIAJJP-RMRKRWHISA-N 2 0 285.391 1.417 10 0 CDAERP CO[C@H](CC(C)C)C[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001620628199 1165662866 /nfs/dbraw/zinc/66/28/66/1165662866.db2.gz GPHJDHBXIRLTSI-KFWWJZLASA-N 2 0 254.418 1.931 10 0 CDAERP Cc1n[nH]cc1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000038011306 1165817369 /nfs/dbraw/zinc/81/73/69/1165817369.db2.gz PAYZKUONHDCMFC-UHFFFAOYSA-N 2 0 271.368 1.872 10 0 CDAERP C[C@H](NC(=O)CC[N@@H+]1CC[C@@H](F)C1)C1=CC[NH+](C)CC1 ZINC001632701612 1166369153 /nfs/dbraw/zinc/36/91/53/1166369153.db2.gz OOIBWPGGQXWJRA-GXTWGEPZSA-N 2 0 283.391 1.187 10 0 CDAERP C[C@H](C[NH2+]C/C=C\Cl)NC(=O)CC[NH+]1CCCCC1 ZINC001275039273 1166655548 /nfs/dbraw/zinc/65/55/48/1166655548.db2.gz QNKZABWJFHKRSR-SCXUMTSISA-N 2 0 287.835 1.709 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC001638844258 1166878617 /nfs/dbraw/zinc/87/86/17/1166878617.db2.gz AOPOKDZODRCAOK-GFCCVEGCSA-N 2 0 255.406 1.127 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC2([NH+](C)C)CC2)C1 ZINC001639435561 1166938271 /nfs/dbraw/zinc/93/82/71/1166938271.db2.gz GTCRVCZKLHYURE-CHWSQXEVSA-N 2 0 267.417 1.317 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](CC2=NOCC2)CC1 ZINC001641515752 1167114608 /nfs/dbraw/zinc/11/46/08/1167114608.db2.gz JLNDQRYLMKDQQK-UHFFFAOYSA-N 2 0 253.390 1.817 10 0 CDAERP Cc1nn(CCO)c(C)c1CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC001645874040 1167546801 /nfs/dbraw/zinc/54/68/01/1167546801.db2.gz SREORKPXRAUFHN-MRXNPFEDSA-N 2 0 292.427 1.068 10 0 CDAERP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCC(C)(C)[NH+](C)C)C[N@@H+]2C1 ZINC001646929716 1168262041 /nfs/dbraw/zinc/26/20/41/1168262041.db2.gz AMOMROPKDQMJFE-MCIONIFRSA-N 2 0 281.444 1.563 10 0 CDAERP CC[NH+](CC)CC[C@@H](C)NC(=O)c1cc(CN(C)C)on1 ZINC001647015535 1168350627 /nfs/dbraw/zinc/35/06/27/1168350627.db2.gz QCIPFDCANDMQIY-GFCCVEGCSA-N 2 0 296.415 1.586 10 0 CDAERP CC/C=C\CC[NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001566803075 1168428409 /nfs/dbraw/zinc/42/84/09/1168428409.db2.gz NOLRUCPEOWFMSR-DZMCIORMSA-N 2 0 267.417 1.531 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001567107130 1168563709 /nfs/dbraw/zinc/56/37/09/1168563709.db2.gz OVPDSFHMKOBTOZ-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001567138686 1168591174 /nfs/dbraw/zinc/59/11/74/1168591174.db2.gz LXKNOLULSDKIFK-OAHLLOKOSA-N 2 0 293.455 1.733 10 0 CDAERP CC[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001567589277 1168877027 /nfs/dbraw/zinc/87/70/27/1168877027.db2.gz GKVNAWZXOPLWAW-OLZOCXBDSA-N 2 0 255.406 1.175 10 0 CDAERP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)C[NH2+]C/C=C/Cl ZINC001568176445 1169162272 /nfs/dbraw/zinc/16/22/72/1169162272.db2.gz UUGMTCWIHRBVHA-FZKGZDJFSA-N 2 0 287.835 1.565 10 0 CDAERP CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001568304768 1169236044 /nfs/dbraw/zinc/23/60/44/1169236044.db2.gz RQVGQPHONGGWBK-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP CCCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001568370226 1169264496 /nfs/dbraw/zinc/26/44/96/1169264496.db2.gz YWHANJILFYGQLK-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H](C)C1 ZINC001671246737 1169434001 /nfs/dbraw/zinc/43/40/01/1169434001.db2.gz WWAIJQIARFUTNT-QWHCGFSZSA-N 2 0 255.406 1.316 10 0 CDAERP CC(C)(C)[NH+]1CCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC001649928597 1169506344 /nfs/dbraw/zinc/50/63/44/1169506344.db2.gz ZCCXXLROUBSFES-ZDUSSCGKSA-N 2 0 294.443 1.397 10 0 CDAERP C[C@@H](C[NH2+]CCC1CC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001569090591 1169639677 /nfs/dbraw/zinc/63/96/77/1169639677.db2.gz NJGWXLJMHPQMHK-GXTWGEPZSA-N 2 0 267.417 1.223 10 0 CDAERP CC1CC(C[NH2+]CCCN(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001569257239 1169738347 /nfs/dbraw/zinc/73/83/47/1169738347.db2.gz AENNHBSKZRFYKT-HWOWSKLDSA-N 2 0 295.471 1.812 10 0 CDAERP CC(C)C[NH2+]C[C@H](NC(=O)C[N@H+](C)C(C)C)C1CC1 ZINC001569329500 1169767244 /nfs/dbraw/zinc/76/72/44/1169767244.db2.gz OTGUBKXVFBCZCU-AWEZNQCLSA-N 2 0 269.433 1.467 10 0 CDAERP O=C(N1CCC[C@H]1C[NH2+]CCCF)C12CCC[NH+]1CCC2 ZINC001569547088 1169919382 /nfs/dbraw/zinc/91/93/82/1169919382.db2.gz FLOFDRRWFIVFTJ-AWEZNQCLSA-N 2 0 297.418 1.555 10 0 CDAERP COCCC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001569570403 1169928461 /nfs/dbraw/zinc/92/84/61/1169928461.db2.gz QOVWGJPKUGIBEM-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP CCC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001569845456 1170015704 /nfs/dbraw/zinc/01/57/04/1170015704.db2.gz XVEZNYLGRMJVMT-UONOGXRCSA-N 2 0 281.444 1.422 10 0 CDAERP CCC[N@H+](C)CC(=O)NC1(C[NH2+]CC)CCCCC1 ZINC001570804219 1170282341 /nfs/dbraw/zinc/28/23/41/1170282341.db2.gz AJNNRYDLNFYAEI-UHFFFAOYSA-N 2 0 269.433 1.757 10 0 CDAERP CCOCC[NH+]1CC([C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001570860061 1170304143 /nfs/dbraw/zinc/30/41/43/1170304143.db2.gz LKPDQTIQYIILJF-DZGCQCFKSA-N 2 0 299.459 1.046 10 0 CDAERP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1CC([NH2+]CCCF)C1 ZINC001571658604 1170513325 /nfs/dbraw/zinc/51/33/25/1170513325.db2.gz FDVRNQCBWQHRCX-RUXDESIVSA-N 2 0 285.407 1.409 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001656175616 1171783481 /nfs/dbraw/zinc/78/34/81/1171783481.db2.gz DXMIPPHXFNIHSI-OKILXGFUSA-N 2 0 269.433 1.611 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001661818091 1172451055 /nfs/dbraw/zinc/45/10/55/1172451055.db2.gz IPMDDHDRCNRAQJ-CABCVRRESA-N 2 0 281.444 1.566 10 0 CDAERP CCC[NH2+][C@H](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001663000361 1172627216 /nfs/dbraw/zinc/62/72/16/1172627216.db2.gz FQIVXKUPIHSKMY-OLZOCXBDSA-N 2 0 255.406 1.223 10 0 CDAERP CC[C@H](C(=O)NCC[C@@H](C)[NH2+]CC(C)C)[NH+](C)C ZINC001663001629 1172627182 /nfs/dbraw/zinc/62/71/82/1172627182.db2.gz SUDDUZWYVIKBFH-CHWSQXEVSA-N 2 0 257.422 1.467 10 0 CDAERP CO[C@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC[NH+](C)C ZINC001665424839 1172994445 /nfs/dbraw/zinc/99/44/45/1172994445.db2.gz AFTSZVXHNKKLQA-ILXRZTDVSA-N 2 0 297.443 1.038 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001666611108 1173161160 /nfs/dbraw/zinc/16/11/60/1173161160.db2.gz RPDCAPTZZDJZSC-CQSZACIVSA-N 2 0 283.460 1.716 10 0 CDAERP CC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001667652802 1173306165 /nfs/dbraw/zinc/30/61/65/1173306165.db2.gz SRCPHXKYHZSDIL-KGLIPLIRSA-N 2 0 269.433 1.517 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CCC[C@@H]1C[NH2+]CCCCCF ZINC001671385321 1173679344 /nfs/dbraw/zinc/67/93/44/1173679344.db2.gz UBGRPBWFDMCHQS-OAHLLOKOSA-N 2 0 299.434 1.803 10 0 CDAERP CC(C)C[NH+]1CCC(C)(NC(=O)CC[NH+](C)C)CC1 ZINC001671429185 1173683127 /nfs/dbraw/zinc/68/31/27/1173683127.db2.gz ZRRSFZLFDIYPOP-UHFFFAOYSA-N 2 0 269.433 1.565 10 0 CDAERP CC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001690246363 1175410584 /nfs/dbraw/zinc/41/05/84/1175410584.db2.gz JNVMXHXMEKDJPS-CYSIVNQBSA-N 2 0 281.444 1.873 10 0 CDAERP CCC[NH2+]C[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001690471871 1175478874 /nfs/dbraw/zinc/47/88/74/1175478874.db2.gz WVHPNJKWNJPTSK-OAHLLOKOSA-N 2 0 281.444 1.851 10 0 CDAERP CC[C@@H](C)C[NH2+][C@@H](C)CCNC(=O)C[NH+]1CCCC1 ZINC001690879441 1175599408 /nfs/dbraw/zinc/59/94/08/1175599408.db2.gz IIKZXCKEIPIJEP-KGLIPLIRSA-N 2 0 269.433 1.613 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NCCC[C@H]2CCC[NH+]2CCF)C1 ZINC001690914690 1175607303 /nfs/dbraw/zinc/60/73/03/1175607303.db2.gz JRGJKNPQWRSBLF-CABCVRRESA-N 2 0 299.434 1.659 10 0 CDAERP COCCC[N@@H+]1CC[C@@H](N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001698561460 1175844055 /nfs/dbraw/zinc/84/40/55/1175844055.db2.gz GEURFNJFSTWEHR-CQSZACIVSA-N 2 0 297.443 1.040 10 0 CDAERP C[NH+](C)CCCC(=O)N1CCC(CC[NH2+]CCF)CC1 ZINC001698699557 1175897911 /nfs/dbraw/zinc/89/79/11/1175897911.db2.gz WHHBWDUPEGRIFI-UHFFFAOYSA-N 2 0 287.423 1.516 10 0 CDAERP CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001698922795 1175984454 /nfs/dbraw/zinc/98/44/54/1175984454.db2.gz IDDZELAAJLUSNA-KGLIPLIRSA-N 2 0 267.417 1.319 10 0 CDAERP COCCC[NH2+][C@H](CNC(=O)C1CC[NH+](C)CC1)C(C)C ZINC001698972014 1176001444 /nfs/dbraw/zinc/00/14/44/1176001444.db2.gz MBVRBFKAMDUFLS-OAHLLOKOSA-N 2 0 299.459 1.095 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@H]1CCC[C@@H]1C[NH2+]CCC1CC1 ZINC001699056566 1176061453 /nfs/dbraw/zinc/06/14/53/1176061453.db2.gz CHSGTVYLNQKMOD-CVEARBPZSA-N 2 0 293.455 1.757 10 0 CDAERP C[C@H](CC[NH2+]CC1CCC1)NC(=O)C1([NH+](C)C)CCC1 ZINC001699105193 1176095903 /nfs/dbraw/zinc/09/59/03/1176095903.db2.gz DWERSLKQUVLONM-CYBMUJFWSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@H](NC(=O)Cc1c[nH]cn1)C1CC1 ZINC001699588024 1176488393 /nfs/dbraw/zinc/48/83/93/1176488393.db2.gz IMMPEUAHGSDTKS-MFKMUULPSA-N 2 0 282.363 1.185 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]2C[NH2+]CCC2CC2)C1 ZINC001699765640 1176613867 /nfs/dbraw/zinc/61/38/67/1176613867.db2.gz KGRKPBYVEJHDEB-GJZGRUSLSA-N 2 0 279.428 1.319 10 0 CDAERP C[NH+](C)CCCC(=O)N1CC[C@H](CC[NH2+]CC2CCC2)C1 ZINC001700077563 1176739512 /nfs/dbraw/zinc/73/95/12/1176739512.db2.gz CWVZEYIZYRVLEY-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP CCCCC[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001700475841 1176966713 /nfs/dbraw/zinc/96/67/13/1176966713.db2.gz ZLCPETIPGJDPKQ-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@H](C(=O)N1CCC([N@H+](C)CCCOC)CC1)[NH+](C)C ZINC001700697525 1177080107 /nfs/dbraw/zinc/08/01/07/1177080107.db2.gz DKLJFLSKJAKYJF-OAHLLOKOSA-N 2 0 299.459 1.286 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC2CC2)C[C@@H]1C ZINC001700853909 1177166880 /nfs/dbraw/zinc/16/68/80/1177166880.db2.gz OEPHDUJGELDYEJ-GXTWGEPZSA-N 2 0 267.417 1.316 10 0 CDAERP [NH3+][C@H]1CCCC[C@@H]1C(=O)NCC[NH2+]C1CCCCCC1 ZINC000159695959 1178247155 /nfs/dbraw/zinc/24/71/55/1178247155.db2.gz DEUKZPLVJLRLII-GJZGRUSLSA-N 2 0 281.444 1.933 10 0 CDAERP COCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001713147236 1178395774 /nfs/dbraw/zinc/39/57/74/1178395774.db2.gz CMQHVQYGHTZKOY-LSDHHAIUSA-N 2 0 297.443 1.086 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001713161759 1178405203 /nfs/dbraw/zinc/40/52/03/1178405203.db2.gz HXPNHEXQBURIID-IHRRRGAJSA-N 2 0 269.433 1.610 10 0 CDAERP CC/C=C\CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001713191719 1178422669 /nfs/dbraw/zinc/42/26/69/1178422669.db2.gz MJMUSDTXAGYONF-UEXFONOJSA-N 2 0 293.455 1.920 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001713230696 1178446133 /nfs/dbraw/zinc/44/61/33/1178446133.db2.gz IJTPYXKQTROYIB-RBSFLKMASA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001713316717 1178492823 /nfs/dbraw/zinc/49/28/23/1178492823.db2.gz XOHMYFWZKPITCQ-ZDUSSCGKSA-N 2 0 269.433 1.611 10 0 CDAERP CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001713363219 1178520678 /nfs/dbraw/zinc/52/06/78/1178520678.db2.gz OZIKISDJURXEFV-UDLYIEAKSA-N 2 0 293.455 1.733 10 0 CDAERP CC/C=C\CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001714017848 1178929838 /nfs/dbraw/zinc/92/98/38/1178929838.db2.gz GRWMISNKSXVSLG-SXEWGOIYSA-N 2 0 279.428 1.531 10 0 CDAERP CCCC[NH2+][C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001714234430 1179035839 /nfs/dbraw/zinc/03/58/39/1179035839.db2.gz AVGHAWLSULJBPA-JSGCOSHPSA-N 2 0 267.417 1.223 10 0 CDAERP CN(CC[NH2+]CCCF)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001714725664 1179359792 /nfs/dbraw/zinc/35/97/92/1179359792.db2.gz XIKBFKGWXPHOFT-KGLIPLIRSA-N 2 0 285.407 1.411 10 0 CDAERP CN(CC[NH2+]C[C@H]1CCC(F)(F)C1)C(=O)CC[NH+](C)C ZINC001714751688 1179376100 /nfs/dbraw/zinc/37/61/00/1179376100.db2.gz IUDRXXVVKCUNOJ-LBPRGKRZSA-N 2 0 291.386 1.422 10 0 CDAERP Cc1ccc(F)c(C[NH2+]CCN(C)C(=O)CC[NH+](C)C)c1 ZINC001714754424 1179377373 /nfs/dbraw/zinc/37/73/73/1179377373.db2.gz ZHEDBUXIXDVYAG-UHFFFAOYSA-N 2 0 295.402 1.634 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH2+]CCC(C)(C)C ZINC001715225533 1179584562 /nfs/dbraw/zinc/58/45/62/1179584562.db2.gz MVRHJSRWDVUAOZ-KBPBESRZSA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)OCC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001715506963 1179687397 /nfs/dbraw/zinc/68/73/97/1179687397.db2.gz ONBPHSXOPKMNDF-CABCVRRESA-N 2 0 299.459 1.094 10 0 CDAERP CCC[NH2+]CC[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001715656934 1179754155 /nfs/dbraw/zinc/75/41/55/1179754155.db2.gz SANHBJDFDIETPP-GFCCVEGCSA-N 2 0 255.406 1.365 10 0 CDAERP C[C@@H](CC[NH2+]CC1CCC1)NC(=O)C[N@H+](C)C1CCC1 ZINC001715658053 1179755856 /nfs/dbraw/zinc/75/58/56/1179755856.db2.gz UXSWGUJHANUGSQ-ZDUSSCGKSA-N 2 0 281.444 1.755 10 0 CDAERP CCN(CC[NH2+]CCOC(C)C)C(=O)C1CC[NH+](C)CC1 ZINC001715755070 1179793002 /nfs/dbraw/zinc/79/30/02/1179793002.db2.gz JPSCKOSYWFGJJK-UHFFFAOYSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)C[NH2+]C/C=C/CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001715833668 1179855769 /nfs/dbraw/zinc/85/57/69/1179855769.db2.gz OKCSGVQEQLWWBL-ONEGZZNKSA-N 2 0 293.455 1.780 10 0 CDAERP CC(C)(C(=O)NC/C=C/C[NH2+]CCCF)[NH+]1CCCC1 ZINC001715850417 1179869132 /nfs/dbraw/zinc/86/91/32/1179869132.db2.gz FXLKCWTXIOLDGS-ONEGZZNKSA-N 2 0 285.407 1.482 10 0 CDAERP COC[C@H](C)[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001715859050 1179877995 /nfs/dbraw/zinc/87/79/95/1179877995.db2.gz BDLABNYUJMQKMG-JEFPTHFSSA-N 2 0 297.443 1.014 10 0 CDAERP CCC[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001715952546 1179937910 /nfs/dbraw/zinc/93/79/10/1179937910.db2.gz JXEPBFAQNZILNV-CYBMUJFWSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)C[NH2+]CC[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001716183959 1180088234 /nfs/dbraw/zinc/08/82/34/1180088234.db2.gz NPGJZVNCBASTAO-OAHLLOKOSA-N 2 0 283.460 1.859 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC/C=C/C[NH2+]CC2CCC2)C1 ZINC001716368342 1180170302 /nfs/dbraw/zinc/17/03/02/1180170302.db2.gz QAFNSHPGIKFKDI-FAAWYNLUSA-N 2 0 279.428 1.390 10 0 CDAERP C[C@H](C[NH2+]CCc1ccccc1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001716423022 1180197444 /nfs/dbraw/zinc/19/74/44/1180197444.db2.gz AHMKJCYROVWYHB-GDBMZVCRSA-N 2 0 289.423 1.275 10 0 CDAERP CC[NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001716542987 1180278237 /nfs/dbraw/zinc/27/82/37/1180278237.db2.gz YLYKYLZTZTWUTF-QWHCGFSZSA-N 2 0 255.406 1.175 10 0 CDAERP CCCC[NH2+]C[C@]1(C)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001716880988 1180451946 /nfs/dbraw/zinc/45/19/46/1180451946.db2.gz YKVHEQRATNFXBO-WBVHZDCISA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001717424766 1180665332 /nfs/dbraw/zinc/66/53/32/1180665332.db2.gz KDHWOWCFKZHISN-ZIAGYGMSSA-N 2 0 269.433 1.777 10 0 CDAERP O=C(N[C@H]1C[C@H](C[NH2+]CCF)C1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001717649622 1180773581 /nfs/dbraw/zinc/77/35/81/1180773581.db2.gz RRLIJFZMDMKJDK-AJNGGQMLSA-N 2 0 297.418 1.457 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001717822178 1180879619 /nfs/dbraw/zinc/87/96/19/1180879619.db2.gz ONPWZRYJJWWQPP-KGLIPLIRSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H](C[N@H+](C)CCC1CC1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001722913829 1181491185 /nfs/dbraw/zinc/49/11/85/1181491185.db2.gz GYJMHIHSUJNGJY-JSGCOSHPSA-N 2 0 267.417 1.175 10 0 CDAERP CC(C)[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001724191359 1181651390 /nfs/dbraw/zinc/65/13/90/1181651390.db2.gz VDGUDMWQDYNBRJ-CQSZACIVSA-N 2 0 253.390 1.071 10 0 CDAERP CCC[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001724613802 1181703930 /nfs/dbraw/zinc/70/39/30/1181703930.db2.gz ZLHBWGCJLKEFSP-KGLIPLIRSA-N 2 0 279.428 1.176 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NC2(C[NH2+]CCF)CCCCC2)C1 ZINC001725229013 1181927726 /nfs/dbraw/zinc/92/77/26/1181927726.db2.gz JOXSLPUOJIQDRM-CYBMUJFWSA-N 2 0 285.407 1.316 10 0 CDAERP CCOCC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C ZINC001725614955 1182071787 /nfs/dbraw/zinc/07/17/87/1182071787.db2.gz AZHBJNARSZQQJF-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)[N@H+](C)CCCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001731271215 1182285688 /nfs/dbraw/zinc/28/56/88/1182285688.db2.gz KVJQSMAZOPZHMJ-GJZGRUSLSA-N 2 0 281.444 1.850 10 0 CDAERP C[N@H+](CCCNC(=O)C[C@@H]1CC[NH+](C)C1)CCC1CC1 ZINC001731278220 1182290343 /nfs/dbraw/zinc/29/03/43/1182290343.db2.gz QIXZDMNEOXYTHN-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP CCCCC[NH2+][C@@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001731633234 1182493007 /nfs/dbraw/zinc/49/30/07/1182493007.db2.gz LUEQAWOCTMLTLL-KBPBESRZSA-N 2 0 269.433 1.613 10 0 CDAERP CC(C)[NH2+][C@H](C)CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001731728471 1182536976 /nfs/dbraw/zinc/53/69/76/1182536976.db2.gz AEQAMQOWKNOQHU-KGLIPLIRSA-N 2 0 269.433 1.754 10 0 CDAERP CC[C@@H](C)C[N@H+](CC)CCNC(=O)Cc1c[nH]cn1 ZINC001731812636 1182600888 /nfs/dbraw/zinc/60/08/88/1182600888.db2.gz CGPFUBAXTKHCTM-GFCCVEGCSA-N 2 0 266.389 1.436 10 0 CDAERP CCC[N@H+](CCNC(=O)C[NH+]1CCCC1)C(C)C ZINC001731873427 1182641480 /nfs/dbraw/zinc/64/14/80/1182641480.db2.gz HFHXLYJTCHFKBK-UHFFFAOYSA-N 2 0 255.406 1.319 10 0 CDAERP C[C@H](C[NH2+]CCC1CC1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001732429399 1182960459 /nfs/dbraw/zinc/96/04/59/1182960459.db2.gz PYPAVUVTGBIVEA-CQSZACIVSA-N 2 0 293.455 1.851 10 0 CDAERP CC(C)=CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001732557360 1183008328 /nfs/dbraw/zinc/00/83/28/1183008328.db2.gz VVEIXCLQTHIQOT-CABCVRRESA-N 2 0 281.444 1.777 10 0 CDAERP CCCC[NH2+]CC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001732745928 1183106173 /nfs/dbraw/zinc/10/61/73/1183106173.db2.gz KSMSMYHPCBHHHS-CYBMUJFWSA-N 2 0 267.417 1.367 10 0 CDAERP CC[C@@H](C)C[NH2+]C/C=C\CNC(=O)C12CC[NH+](CC1)C2 ZINC001732924536 1183186677 /nfs/dbraw/zinc/18/66/77/1183186677.db2.gz UMQZSAHXTVAMQW-ZRUQZJFASA-N 2 0 279.428 1.390 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C[NH2+]CC[C@H](C)F)[NH+](C)C ZINC001732960465 1183206559 /nfs/dbraw/zinc/20/65/59/1183206559.db2.gz USOYLUUXBFFDJS-QJPTWQEYSA-N 2 0 261.385 1.169 10 0 CDAERP C[C@@H](C[NH2+]CCC1CC1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001732999257 1183230618 /nfs/dbraw/zinc/23/06/18/1183230618.db2.gz TZWHKIATLFFTEP-DZGCQCFKSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)C[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001733066658 1183273826 /nfs/dbraw/zinc/27/38/26/1183273826.db2.gz JALHYRYOYXKDLJ-ZDUSSCGKSA-N 2 0 255.406 1.175 10 0 CDAERP CC(C)C[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001733191155 1183325279 /nfs/dbraw/zinc/32/52/79/1183325279.db2.gz ULUQPIFCOOMKAY-KBPBESRZSA-N 2 0 267.417 1.079 10 0 CDAERP C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1[NH2+]CCCF ZINC001733859879 1183552315 /nfs/dbraw/zinc/55/23/15/1183552315.db2.gz GGXLZTYWXMCMMS-GJZGRUSLSA-N 2 0 299.434 1.659 10 0 CDAERP CCOCC[N@@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001734155736 1183678081 /nfs/dbraw/zinc/67/80/81/1183678081.db2.gz SEDAFPIVBZCZND-AWEZNQCLSA-N 2 0 299.459 1.190 10 0 CDAERP CCCC[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001734343301 1183740682 /nfs/dbraw/zinc/74/06/82/1183740682.db2.gz JUOMLFLFEKBZKY-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP CC[C@H](C)C[C@H]([NH3+])C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000400814910 1186379422 /nfs/dbraw/zinc/37/94/22/1186379422.db2.gz NFDFFMXWOLARDQ-FPMFFAJLSA-N 2 0 267.417 1.303 10 0 CDAERP C[NH2+]Cc1ccccc1C[NH2+]C1CCN(C(N)=O)CC1 ZINC001771759387 1186862752 /nfs/dbraw/zinc/86/27/52/1186862752.db2.gz XNGGKMNFQCCXSO-UHFFFAOYSA-N 2 0 276.384 1.039 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@H]1CC[C@H]2C[C@@H](C)C[N@@H+]2C1 ZINC001772441047 1187232759 /nfs/dbraw/zinc/23/27/59/1187232759.db2.gz KFPGXNRWDUKCFA-FXUDXRNXSA-N 2 0 295.471 1.809 10 0 CDAERP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H]3C[C@@H]4COC[C@@H]4O3)CC[C@H]21 ZINC000929847679 711864049 /nfs/dbraw/zinc/86/40/49/711864049.db2.gz NDLHWBYDTIHSDX-LJIZCISZSA-N 2 0 280.412 1.206 10 0 CDAERP CN(C)c1nccc(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)n1 ZINC000925634440 711868653 /nfs/dbraw/zinc/86/86/53/711868653.db2.gz IVEXTFIVLNMGFN-YPMHNXCESA-N 2 0 277.416 1.538 10 0 CDAERP C1CC2(C1)[NH2+]CC[C@@H]2[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000863483285 711873126 /nfs/dbraw/zinc/87/31/26/711873126.db2.gz UKQQHFSMBDWCEB-XJFOESAGSA-N 2 0 262.397 1.818 10 0 CDAERP C[C@H]1CN(CC[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)CCO1 ZINC000866708497 711884937 /nfs/dbraw/zinc/88/49/37/711884937.db2.gz QQXOSTDIEIXMHM-GOEBONIOSA-N 2 0 283.460 1.404 10 0 CDAERP C[C@@H](C1CC1)[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923305221 711890422 /nfs/dbraw/zinc/89/04/22/711890422.db2.gz LDWCSUKRZXDEIL-FZMZJTMJSA-N 2 0 250.386 1.628 10 0 CDAERP C[N@@H+]1C[C@@H]2CN(CCC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC000933737576 711894671 /nfs/dbraw/zinc/89/46/71/711894671.db2.gz RRQHHCHTMBPKII-CVEARBPZSA-N 2 0 265.445 1.746 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)C=C1CC[NH2+]CC1 ZINC000852895908 711896466 /nfs/dbraw/zinc/89/64/66/711896466.db2.gz MLKPVFBJJKXUSI-UHFFFAOYSA-N 2 0 267.417 1.390 10 0 CDAERP C[C@H](CC(N)=O)[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925817869 711899764 /nfs/dbraw/zinc/89/97/64/711899764.db2.gz SFKIVNMSTFUREJ-GFCCVEGCSA-N 2 0 255.406 1.400 10 0 CDAERP C[NH+]1CCC2(CC1)C[N@H+](CCCCCCO)CCO2 ZINC000830637111 711910202 /nfs/dbraw/zinc/91/02/02/711910202.db2.gz IHJQNRBSIQNLOD-UHFFFAOYSA-N 2 0 270.417 1.336 10 0 CDAERP O[C@H](CN1CCC[C@H]2C[NH2+]CC[C@@H]21)CC(F)(F)F ZINC000715039017 711913425 /nfs/dbraw/zinc/91/34/25/711913425.db2.gz HWVJQPQDHZTCAS-DCAQKATOSA-N 2 0 266.307 1.374 10 0 CDAERP CCOCCC[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923449232 711917010 /nfs/dbraw/zinc/91/70/10/711917010.db2.gz LWIBLGJBIOOPKP-CYBMUJFWSA-N 2 0 256.390 1.243 10 0 CDAERP CO[C@H](C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1)C1CCCC1 ZINC000872154211 711932672 /nfs/dbraw/zinc/93/26/72/711932672.db2.gz NRYVOHSQCHHNQD-RRFJBIMHSA-N 2 0 252.402 1.733 10 0 CDAERP CC[C@@H](C(=O)OC)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000710020384 711955889 /nfs/dbraw/zinc/95/58/89/711955889.db2.gz WKHQVAJRBPJTFA-ZDUSSCGKSA-N 2 0 268.401 1.746 10 0 CDAERP CC(C)(O)C[N@@H+]1CC[C@H](N[C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000865660535 711956262 /nfs/dbraw/zinc/95/62/62/711956262.db2.gz UNZVFCMENXHUTK-QLFBSQMISA-N 2 0 281.444 1.048 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)N[C@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000924644504 711957066 /nfs/dbraw/zinc/95/70/66/711957066.db2.gz WHCXUSOVUVHHQO-ILXRZTDVSA-N 2 0 251.418 1.545 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CC[C@H]2CNC(=O)C2)C1 ZINC000925838858 711972582 /nfs/dbraw/zinc/97/25/82/711972582.db2.gz OOTPUSHUXZNJFC-IJLUTSLNSA-N 2 0 253.390 1.008 10 0 CDAERP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C[C@@H]2CC3CCC2CC3)C1 ZINC000923280874 711974357 /nfs/dbraw/zinc/97/43/57/711974357.db2.gz JQDKAPOTMVWJMB-FJBKBRRZSA-N 2 0 293.455 1.600 10 0 CDAERP C[C@@H]1C[N@H+](C[C@H]2CC3(CCC3)CO2)CC[C@H]1C[NH3+] ZINC000923490660 711987802 /nfs/dbraw/zinc/98/78/02/711987802.db2.gz OQDOPDRJLKHTMO-HZSPNIEDSA-N 2 0 252.402 1.862 10 0 CDAERP CCS(=O)(=O)CCC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925693685 712003574 /nfs/dbraw/zinc/00/35/74/712003574.db2.gz UKFJJDWGJIMCMH-NEPJUHHUSA-N 2 0 276.446 1.307 10 0 CDAERP CC(C)OCC[C@H](O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923494686 712003616 /nfs/dbraw/zinc/00/36/16/712003616.db2.gz ZYSWSLFGWBNUJI-IHRRRGAJSA-N 2 0 258.406 1.079 10 0 CDAERP CS(=O)(=O)C1CCC(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000925800466 712011266 /nfs/dbraw/zinc/01/12/66/712011266.db2.gz RXKKYIKMGBHABI-QPPOZKHWSA-N 2 0 288.457 1.449 10 0 CDAERP Cn1cc(C[C@H]2CC[N@H+](CCC[NH2+]C3CC3)C2)cn1 ZINC000923327159 712030375 /nfs/dbraw/zinc/03/03/75/712030375.db2.gz QBPSABHZGWTRHH-CYBMUJFWSA-N 2 0 262.401 1.427 10 0 CDAERP [NH2+]=C(NCCC1CC1)NC1CC([NH+]2CCCCC2)C1 ZINC000864465512 712045971 /nfs/dbraw/zinc/04/59/71/712045971.db2.gz YRFGLHVGCAPJRM-UHFFFAOYSA-N 2 0 264.417 1.917 10 0 CDAERP CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925876071 712055435 /nfs/dbraw/zinc/05/54/35/712055435.db2.gz QMWSXGFZJYIHNK-MROQNXINSA-N 2 0 274.430 1.059 10 0 CDAERP [NH3+]CCCCCCN1CCOc2ccc(C[NH3+])cc21 ZINC000866668564 712058326 /nfs/dbraw/zinc/05/83/26/712058326.db2.gz RLSDUSPZUCNNKM-UHFFFAOYSA-N 2 0 263.385 1.863 10 0 CDAERP C[C@@H]1OC[C@@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)[C@@H]1C ZINC000924962071 712061798 /nfs/dbraw/zinc/06/17/98/712061798.db2.gz ZFZADRUVJCILKQ-IJEWVQPXSA-N 2 0 283.460 1.273 10 0 CDAERP Cn1cnc(CCC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)n1 ZINC000925708490 712069045 /nfs/dbraw/zinc/06/90/45/712069045.db2.gz STTNOHXCZNUEGG-CABCVRRESA-N 2 0 291.443 1.506 10 0 CDAERP CCN1C[C@@H](C[NH+]2CCC(CCC[NH+](C)C)CC2)OC1=O ZINC000846838841 712096334 /nfs/dbraw/zinc/09/63/34/712096334.db2.gz APNWFKPAICZJCW-OAHLLOKOSA-N 2 0 297.443 1.881 10 0 CDAERP CC[C@H](C[C@](C)(O)CC)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000924657068 712098637 /nfs/dbraw/zinc/09/86/37/712098637.db2.gz FJPXEQSWKSHDDX-IAGOWNOFSA-N 2 0 299.503 1.933 10 0 CDAERP CCN1CC[NH+](CCCC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000925545260 712149492 /nfs/dbraw/zinc/14/94/92/712149492.db2.gz HTHOBVSOWBOCLB-HZPDHXFCSA-N 3 0 294.487 1.264 10 0 CDAERP CC(C)OCC[C@H](O)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000923387548 712170346 /nfs/dbraw/zinc/17/03/46/712170346.db2.gz LWSZUUMERDMKKC-IRXDYDNUSA-N 2 0 298.471 1.874 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000851654905 712189528 /nfs/dbraw/zinc/18/95/28/712189528.db2.gz JKZSQRHPEGDGJE-ZIAGYGMSSA-N 2 0 284.448 1.533 10 0 CDAERP CCOC(=O)/C=C/CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000929783586 712203680 /nfs/dbraw/zinc/20/36/80/712203680.db2.gz VBDGTNKOCBHBHJ-AMRKSYTLSA-N 2 0 254.374 1.520 10 0 CDAERP CC[C@@H]([NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1)c1c(C)noc1C ZINC000923379281 712205949 /nfs/dbraw/zinc/20/59/49/712205949.db2.gz OGVNNOLBHNQWOB-QWHCGFSZSA-N 2 0 279.384 1.711 10 0 CDAERP CC[NH+]1CCC(N2CCC[N@H+](C[C@@H](O)C3CC3)CC2)CC1 ZINC000817284833 712223840 /nfs/dbraw/zinc/22/38/40/712223840.db2.gz BQEZKUFCZJSXRL-QGZVFWFLSA-N 2 0 295.471 1.249 10 0 CDAERP C[N@H+](CCCC[NH2+][C@@H]1CN2C[C@@H]1CCC2)C1CC1 ZINC000926559934 712243467 /nfs/dbraw/zinc/24/34/67/712243467.db2.gz QXQDMWVJPMLDNM-DZGCQCFKSA-N 2 0 251.418 1.545 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[NH2+]C2CCC3(CC2)OCCO3)C1 ZINC000925882311 712249016 /nfs/dbraw/zinc/24/90/16/712249016.db2.gz KMWVKMZXSHCRMI-NWDGAFQWSA-N 2 0 254.374 1.389 10 0 CDAERP COC(=O)C1=CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000863541890 712254048 /nfs/dbraw/zinc/25/40/48/712254048.db2.gz LXUVJZNKIRPNSL-ACJTYDJDSA-N 2 0 250.342 1.121 10 0 CDAERP CC1([NH+]2CCCCC2)CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000872146562 712291506 /nfs/dbraw/zinc/29/15/06/712291506.db2.gz QZUFSIHQQIGTDQ-OAHLLOKOSA-N 2 0 265.445 1.936 10 0 CDAERP Cc1cc(N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nc(N)[nH+]1 ZINC000396331971 712325380 /nfs/dbraw/zinc/32/53/80/712325380.db2.gz FULLWCPYIHTKOI-AWEZNQCLSA-N 2 0 297.406 1.908 10 0 CDAERP [NH3+][C@H]1C[C@H]([NH2+]CCCN2CCCCC2=O)C12CCC2 ZINC000925547992 712336752 /nfs/dbraw/zinc/33/67/52/712336752.db2.gz FHZFVQWEIIIQIC-STQMWFEESA-N 2 0 265.401 1.249 10 0 CDAERP CN(C)[C@]1(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CCSC1 ZINC000925529781 712370088 /nfs/dbraw/zinc/37/00/88/712370088.db2.gz HAXMCPSGYROLMT-IPYPFGDCSA-N 2 0 285.501 1.919 10 0 CDAERP CCC(CC)[C@H](CNC(=[NH2+])N[C@H]1C[C@H]1C)[NH+](C)C ZINC000864450065 712395389 /nfs/dbraw/zinc/39/53/89/712395389.db2.gz DEABIGQLGVMGTP-WXHSDQCUSA-N 2 0 254.422 1.875 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]CC[C@@H]2CNC(=O)C2)c2ccccc21 ZINC000925837533 712405028 /nfs/dbraw/zinc/40/50/28/712405028.db2.gz GMKAHNBGBDVUSU-ZLKJLUDKSA-N 2 0 259.353 1.247 10 0 CDAERP CN1C[C@@H](CC[NH2+][C@@H](CCC[NH3+])c2ccccc2)CC1=O ZINC000925813980 712415773 /nfs/dbraw/zinc/41/57/73/712415773.db2.gz WKCLBJLBXGNPBR-HOCLYGCPSA-N 2 0 289.423 1.925 10 0 CDAERP C[C@@H]1CN(C(=[NH2+])NCCC[N@@H+]2CCCC[C@@H]2C)CCO1 ZINC000848982357 712438250 /nfs/dbraw/zinc/43/82/50/712438250.db2.gz LSZXGKMRAVNADH-UONOGXRCSA-N 2 0 282.432 1.496 10 0 CDAERP COCCN1CCC[C@@H]1C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925475670 712438872 /nfs/dbraw/zinc/43/88/72/712438872.db2.gz GTTMEACBKYNADK-RRFJBIMHSA-N 2 0 283.460 1.593 10 0 CDAERP Cc1cnc(CC[NH+]2CCC(O)(C[NH+](C)C)CC2)c(C)c1 ZINC000931480872 712454021 /nfs/dbraw/zinc/45/40/21/712454021.db2.gz LGQDOILFHPYIQO-UHFFFAOYSA-N 2 0 291.439 1.629 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CC(C)(C)O)C1 ZINC000872199935 712455534 /nfs/dbraw/zinc/45/55/34/712455534.db2.gz SOPTVBOGXPUHPN-KGLIPLIRSA-N 2 0 272.433 1.218 10 0 CDAERP CCSCC[C@H](C)[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923315230 712462818 /nfs/dbraw/zinc/46/28/18/712462818.db2.gz SDNORWSCZUGFMR-STQMWFEESA-N 2 0 272.458 1.828 10 0 CDAERP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000872290368 712465279 /nfs/dbraw/zinc/46/52/79/712465279.db2.gz ZCTILAGGADLBCW-QXSJWSMHSA-N 2 0 293.455 1.885 10 0 CDAERP Cn1ccnc1[C@H]1CCCN(CCC[NH2+]C2CC2)C1 ZINC000923374780 712477021 /nfs/dbraw/zinc/47/70/21/712477021.db2.gz ZSUOENLZJSIPDN-ZDUSSCGKSA-N 2 0 262.401 1.742 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1CCC[NH2+]C1CC1 ZINC000251855083 712489948 /nfs/dbraw/zinc/48/99/48/712489948.db2.gz RWBLLLKOYISILY-HIFRSBDPSA-N 2 0 251.418 1.687 10 0 CDAERP CC(C)C[N@H+](CCN1CCOC1=O)CC1CC[NH+](C)CC1 ZINC000879702594 712492853 /nfs/dbraw/zinc/49/28/53/712492853.db2.gz RGKUMHSOTDOXPQ-UHFFFAOYSA-N 2 0 297.443 1.738 10 0 CDAERP Cn1nnc2c1C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)CC2 ZINC000922992457 712493554 /nfs/dbraw/zinc/49/35/54/712493554.db2.gz PTBSKSLTDQTYNZ-NWDGAFQWSA-N 2 0 277.416 1.135 10 0 CDAERP [NH3+][C@H]1CC[C@H](C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)CC1 ZINC000870951898 712494473 /nfs/dbraw/zinc/49/44/73/712494473.db2.gz XMHJDOYXOVRNJA-JYJNAYRXSA-N 2 0 293.455 1.742 10 0 CDAERP C[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)C(C)(C)C ZINC000925857372 712495916 /nfs/dbraw/zinc/49/59/16/712495916.db2.gz ZOJADXVDPXVRPE-NEPJUHHUSA-N 2 0 268.401 1.696 10 0 CDAERP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CC(C(N)=O)C1 ZINC000716747288 712514654 /nfs/dbraw/zinc/51/46/54/712514654.db2.gz XGXSOROSDRPTPI-QCXCNERSSA-N 2 0 253.390 1.151 10 0 CDAERP CN1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCc1ccc(C(N)=O)cc1 ZINC000931720213 712517950 /nfs/dbraw/zinc/51/79/50/712517950.db2.gz UIWOFXFYAKUWOI-JKSUJKDBSA-N 2 0 287.407 1.497 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000870904791 712531404 /nfs/dbraw/zinc/53/14/04/712531404.db2.gz BGPYWQJXLLKKAB-FQLMCAECSA-N 2 0 279.428 1.208 10 0 CDAERP C[NH2+]CCOCCN(C)Cc1cnc(C(C)C)s1 ZINC000863647809 712538167 /nfs/dbraw/zinc/53/81/67/712538167.db2.gz WPOSCPKEFMTDSC-UHFFFAOYSA-N 2 0 271.430 1.934 10 0 CDAERP C[C@@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH+]1CCCC1 ZINC000810093554 712684570 /nfs/dbraw/zinc/68/45/70/712684570.db2.gz HMBGXXIZTITJBJ-XJKSGUPXSA-N 2 0 299.434 1.799 10 0 CDAERP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)[C@H]1CCCCO1 ZINC000847076824 712702406 /nfs/dbraw/zinc/70/24/06/712702406.db2.gz GBMHCOCHWCZGRF-QLFBSQMISA-N 2 0 270.417 1.380 10 0 CDAERP C[C@H]([NH2+]CC(C)(C)CS(C)(=O)=O)[C@H]1CCC[NH2+]C1 ZINC000723851528 712718628 /nfs/dbraw/zinc/71/86/28/712718628.db2.gz ZXNLHNAVKLIJHZ-RYUDHWBXSA-N 2 0 276.446 1.035 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)C[C@](C)(O)C2CC2)C1 ZINC000872202303 712725275 /nfs/dbraw/zinc/72/52/75/712725275.db2.gz HBVPBWRAVNBQLS-JJXSEGSLSA-N 2 0 284.444 1.361 10 0 CDAERP C[C@@H]([NH2+]CCCCCC[NH3+])c1ccc(S(N)(=O)=O)cc1 ZINC000843342802 712728107 /nfs/dbraw/zinc/72/81/07/712728107.db2.gz UOGJUPWHSZINLT-GFCCVEGCSA-N 2 0 299.440 1.504 10 0 CDAERP CCc1nncn1CC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925513096 712740381 /nfs/dbraw/zinc/74/03/81/712740381.db2.gz FGINYCLOXZDTSR-XBFCOCLRSA-N 2 0 277.416 1.207 10 0 CDAERP C[N@H+](C[C@@H]1C[C@H]2COC[C@@H]2O1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000724579403 712742546 /nfs/dbraw/zinc/74/25/46/712742546.db2.gz SRVVKTQOIBTUQM-REVZXKJASA-N 2 0 266.385 1.005 10 0 CDAERP [NH3+]CCCOC1CC[NH+](C[C@@H]2CC3(CCC3)CO2)CC1 ZINC000872141708 712754284 /nfs/dbraw/zinc/75/42/84/712754284.db2.gz PDAYAQCGFMTGGS-HNNXBMFYSA-N 2 0 282.428 1.775 10 0 CDAERP Cc1cnc([C@@H](C)[NH+]2CCC(O)(C[NH+](C)C)CC2)cn1 ZINC000931481845 712782765 /nfs/dbraw/zinc/78/27/65/712782765.db2.gz WCQNRJNJZUOCAS-CYBMUJFWSA-N 2 0 278.400 1.235 10 0 CDAERP C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)C(C)(C)n1cncn1 ZINC000925840478 712785858 /nfs/dbraw/zinc/78/58/58/712785858.db2.gz MEGKNMKLFGLGSJ-GZBFAFLISA-N 2 0 277.416 1.524 10 0 CDAERP COCC(COC)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000931467581 712788836 /nfs/dbraw/zinc/78/88/36/712788836.db2.gz KAYWWVAUJCHVIA-UHFFFAOYSA-N 2 0 270.417 1.456 10 0 CDAERP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000468086177 1164338815 /nfs/dbraw/zinc/33/88/15/1164338815.db2.gz FKBYHGKALRUDLV-FZKCQIBNSA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@@H]1CCCOC1 ZINC000872042226 1165374125 /nfs/dbraw/zinc/37/41/25/1165374125.db2.gz ZRIQKCJERQGBEW-WBVHZDCISA-N 2 0 297.487 1.807 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1C ZINC001629121227 1166116391 /nfs/dbraw/zinc/11/63/91/1166116391.db2.gz FBZRWTRJYSYHLD-CRWXNKLISA-N 2 0 267.417 1.316 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCN1CC ZINC001634912615 1166545804 /nfs/dbraw/zinc/54/58/04/1166545804.db2.gz WUEUZXGQBBRRSQ-STQMWFEESA-N 2 0 253.390 1.071 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001412339693 1166733558 /nfs/dbraw/zinc/73/35/58/1166733558.db2.gz ZPKKRXIWUCIPPW-KBPBESRZSA-N 2 0 283.460 1.811 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC001566877359 1168038630 /nfs/dbraw/zinc/03/86/30/1168038630.db2.gz VTKZDHIGLGXLTD-AWEZNQCLSA-N 2 0 267.417 1.176 10 0 CDAERP C[NH+]1CCC(C(=O)NCC23CCC[NH+](CCC2)C3)CC1 ZINC001646978171 1168319721 /nfs/dbraw/zinc/31/97/21/1168319721.db2.gz KHZUMNNWRPSTOM-UHFFFAOYSA-N 2 0 279.428 1.320 10 0 CDAERP CC(C)[N@H+](CCCNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001566590332 1168349897 /nfs/dbraw/zinc/34/98/97/1168349897.db2.gz VDEGSEXWGJIBHB-UHFFFAOYSA-N 2 0 281.444 1.850 10 0 CDAERP COCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H](C)C1 ZINC001671233108 1168427431 /nfs/dbraw/zinc/42/74/31/1168427431.db2.gz USNHETPHOQYIHS-ZIAGYGMSSA-N 2 0 297.443 1.086 10 0 CDAERP C[NH+](C)CC1(C(=O)N2CCC[C@@H](C[NH2+]CCCF)C2)CC1 ZINC001566903918 1168461264 /nfs/dbraw/zinc/46/12/64/1168461264.db2.gz XUSZBXSPLWKAKO-AWEZNQCLSA-N 2 0 299.434 1.516 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCC1CC1 ZINC001567027535 1168518881 /nfs/dbraw/zinc/51/88/81/1168518881.db2.gz CKLNWIWCPLEAEQ-JSGCOSHPSA-N 2 0 267.417 1.365 10 0 CDAERP C[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C[C@@H]1CCCOC1 ZINC000699284151 913676985 /nfs/dbraw/zinc/67/69/85/913676985.db2.gz YXHMPMYWNIOKGH-AVOUXACISA-N 2 0 252.402 1.875 10 0 CDAERP COCCCC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001266249200 893913841 /nfs/dbraw/zinc/91/38/41/893913841.db2.gz VYDBQTNYXVCIAG-HNNXBMFYSA-N 2 0 297.443 1.089 10 0 CDAERP CC[N@H+](C)CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001266288981 894166668 /nfs/dbraw/zinc/16/66/68/894166668.db2.gz XIHOAQRTGSFGNW-CHWSQXEVSA-N 2 0 253.390 1.071 10 0 CDAERP CCOCC[N@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001266335473 894427940 /nfs/dbraw/zinc/42/79/40/894427940.db2.gz WYLWGCLPLZLQDB-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@@H](C)C[NH2+]CCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001567510922 1168821461 /nfs/dbraw/zinc/82/14/61/1168821461.db2.gz KYVLMUCLDNAFBG-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@@H](F)C[NH2+]CCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001567516607 1168826347 /nfs/dbraw/zinc/82/63/47/1168826347.db2.gz YPDRQNIJBQJDFO-CQSZACIVSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)=CC[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001267012053 896550889 /nfs/dbraw/zinc/55/08/89/896550889.db2.gz SMFQKVMDZVMIMU-AWEZNQCLSA-N 2 0 279.428 1.627 10 0 CDAERP CC[C@@H](C[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1CC)OC ZINC001267116981 896837882 /nfs/dbraw/zinc/83/78/82/896837882.db2.gz LEOMACBDGNSQII-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP CC[C@H](C(=O)NCC[N@H+](C)CC[C@@H]1CCCCO1)[NH+](C)C ZINC001418473817 896969930 /nfs/dbraw/zinc/96/99/30/896969930.db2.gz HEKBUVMWLYUTPL-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)C(=O)NCC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693718176 897211028 /nfs/dbraw/zinc/21/10/28/897211028.db2.gz MDRNRRHIAVHWNT-FRRDWIJNSA-N 2 0 267.417 1.125 10 0 CDAERP CC(C)NC(=O)CC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693718155 897212377 /nfs/dbraw/zinc/21/23/77/897212377.db2.gz LVKUTCFWXMQTQH-KWCYVHTRSA-N 2 0 267.417 1.267 10 0 CDAERP CC(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001418940961 897299027 /nfs/dbraw/zinc/29/90/27/897299027.db2.gz GBCCLOJBAMGGMT-JKSUJKDBSA-N 2 0 295.471 1.765 10 0 CDAERP CC[NH2+]CCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001267436077 897903216 /nfs/dbraw/zinc/90/32/16/897903216.db2.gz HKQKLVMOBOOADG-CYBMUJFWSA-N 2 0 255.406 1.319 10 0 CDAERP CC[C@@H](C)C[NH2+]CCN(C)C(=O)C[NH+]1CCCC1 ZINC001267469068 898068400 /nfs/dbraw/zinc/06/84/00/898068400.db2.gz GUIRCJVULOWUJJ-CYBMUJFWSA-N 2 0 255.406 1.176 10 0 CDAERP CC[N@@H+](CC=C(C)C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001481016626 898503011 /nfs/dbraw/zinc/50/30/11/898503011.db2.gz OUCBOAWDVMIOBQ-AWEZNQCLSA-N 2 0 267.417 1.342 10 0 CDAERP CC(C)[N@H+](C)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001267603672 898763439 /nfs/dbraw/zinc/76/34/39/898763439.db2.gz WIZSQIQSQWMHQC-UHFFFAOYSA-N 2 0 269.433 1.517 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H]1C[NH2+]CCCF ZINC001267957635 900070737 /nfs/dbraw/zinc/07/07/37/900070737.db2.gz GRWXHLIOGJXPSE-LSDHHAIUSA-N 2 0 299.434 1.801 10 0 CDAERP CN(CC[NH2+]C/C=C/Cl)C(=O)CCC[NH+]1CCCC1 ZINC001481317521 900369798 /nfs/dbraw/zinc/36/97/98/900369798.db2.gz HPLCTYMAPKURAG-FNORWQNLSA-N 2 0 287.835 1.663 10 0 CDAERP CC[NH2+]CCN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001481318277 900374171 /nfs/dbraw/zinc/37/41/71/900374171.db2.gz UZXCKUVZGCENOM-UHFFFAOYSA-N 2 0 263.385 1.430 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001481485173 900885815 /nfs/dbraw/zinc/88/58/15/900885815.db2.gz GFCZGZZSGZNZBI-ZBFHGGJFSA-N 2 0 293.455 1.519 10 0 CDAERP CCOCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001279250135 900973182 /nfs/dbraw/zinc/97/31/82/900973182.db2.gz SDRARGZBOVZAOD-NRXISQOPSA-N 2 0 297.443 1.086 10 0 CDAERP CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001481539139 901113909 /nfs/dbraw/zinc/11/39/09/901113909.db2.gz YAWAPVUWQQCGDB-QWHCGFSZSA-N 2 0 255.406 1.317 10 0 CDAERP CCCCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001481692884 901810696 /nfs/dbraw/zinc/81/06/96/901810696.db2.gz CLBKFAUSNDSRMX-ZDUSSCGKSA-N 2 0 255.406 1.319 10 0 CDAERP [NH3+]CC[C@@H]1CCC[N@H+](C[C@H](O)CC2CCCC2)C1 ZINC000300072905 901884297 /nfs/dbraw/zinc/88/42/97/901884297.db2.gz XKFQPLJNNUHOBQ-LSDHHAIUSA-N 2 0 254.418 1.988 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC1CCCC1 ZINC001268525697 902506829 /nfs/dbraw/zinc/50/68/29/902506829.db2.gz ZBPHFMDMYZRKNX-FOSCPCJNSA-N 2 0 279.428 1.533 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CCC[C@@H]1C[NH2+]C/C=C/Cl ZINC001482066656 902597420 /nfs/dbraw/zinc/59/74/20/902597420.db2.gz CMBGPWDPEJNTGH-DIECRNLCSA-N 2 0 285.819 1.415 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268658526 902912549 /nfs/dbraw/zinc/91/25/49/902912549.db2.gz AYNGVTCRWCRGIB-JHJVBQTASA-N 2 0 255.406 1.221 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001362080432 903179817 /nfs/dbraw/zinc/17/98/17/903179817.db2.gz WHDLCSVGDLOXFC-ZNMIVQPWSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H](NC(=O)CC[NH+]1CCCCC1)[C@H](C)[NH2+]CC1CC1 ZINC001422448244 904450239 /nfs/dbraw/zinc/45/02/39/904450239.db2.gz MIUHEDXOOTUUBM-UONOGXRCSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]C/C=C\Cl ZINC001270371774 904569080 /nfs/dbraw/zinc/56/90/80/904569080.db2.gz LPIFPILNWQWRQB-CZVUKNJHSA-N 2 0 273.808 1.175 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]CC1=CCCCC1 ZINC001270594322 904770258 /nfs/dbraw/zinc/77/02/58/904770258.db2.gz FGLFDWADCRRDIW-GOEBONIOSA-N 2 0 293.455 1.780 10 0 CDAERP CC(C)C[C@H](C[NH2+]CCF)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001482383661 905277325 /nfs/dbraw/zinc/27/73/25/905277325.db2.gz ACBDWKFNZBWCRK-HUUCEWRRSA-N 2 0 299.434 1.418 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001271660819 906580530 /nfs/dbraw/zinc/58/05/30/906580530.db2.gz VAEKDHPPUXBRHG-QWHCGFSZSA-N 2 0 255.406 1.031 10 0 CDAERP CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)CCC ZINC001271748840 906770387 /nfs/dbraw/zinc/77/03/87/906770387.db2.gz BBQZVDLIZSYNGJ-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP CC[NH2+][C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001271838197 906881533 /nfs/dbraw/zinc/88/15/33/906881533.db2.gz MHRZWDBRYDJZPY-ZIAGYGMSSA-N 2 0 267.417 1.079 10 0 CDAERP CC/C=C/CC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001482619551 908063922 /nfs/dbraw/zinc/06/39/22/908063922.db2.gz TUYVJYCKPQHLGL-LQYUOIDQSA-N 2 0 281.444 1.827 10 0 CDAERP CCN(CC[NH2+]C[C@@H]1CCCCO1)C(=O)C[N@H+](C)C(C)C ZINC001482969778 908554126 /nfs/dbraw/zinc/55/41/26/908554126.db2.gz KEDHEOVRJAIWGQ-HNNXBMFYSA-N 2 0 299.459 1.334 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CCC1CC1 ZINC001483097010 909336132 /nfs/dbraw/zinc/33/61/32/909336132.db2.gz HCGLCRJEEXQPJT-YIEVGGLXSA-N 2 0 293.455 1.923 10 0 CDAERP CC(C)[NH2+]C/C=C/CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001483097350 909338002 /nfs/dbraw/zinc/33/80/02/909338002.db2.gz JLVGPKHEFRSUAD-QAMKJQMISA-N 2 0 267.417 1.530 10 0 CDAERP O[C@H](C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)c1ccccc1 ZINC000714994165 909775377 /nfs/dbraw/zinc/77/53/77/909775377.db2.gz GQVMZSLEZXFSAV-ARFHVFGLSA-N 2 0 260.381 1.794 10 0 CDAERP CC(C)[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001409407905 910375071 /nfs/dbraw/zinc/37/50/71/910375071.db2.gz YGQFRVCRJNLPMW-STQMWFEESA-N 2 0 271.449 1.856 10 0 CDAERP O=C1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CN1CC1CC1 ZINC000716770737 910685730 /nfs/dbraw/zinc/68/57/30/910685730.db2.gz BTDMTDSPDHFYGB-QLFBSQMISA-N 2 0 277.412 1.214 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001483382974 911021274 /nfs/dbraw/zinc/02/12/74/911021274.db2.gz IBIROEAYKRKZPA-HUUCEWRRSA-N 2 0 283.460 1.975 10 0 CDAERP CN(CCC[NH2+]Cc1ccccn1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001483456546 911144784 /nfs/dbraw/zinc/14/47/84/911144784.db2.gz ZFYBPLZZFJPFHP-OAHLLOKOSA-N 2 0 290.411 1.114 10 0 CDAERP C[NH+]1CCC(C(=O)N2CCC[C@@H](CC[NH2+]CCF)C2)CC1 ZINC001568065816 1169131804 /nfs/dbraw/zinc/13/18/04/1169131804.db2.gz FDWOYXSZQNZOPO-AWEZNQCLSA-N 2 0 299.434 1.516 10 0 CDAERP CCCCC[NH2+]CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001483504242 911204439 /nfs/dbraw/zinc/20/44/39/911204439.db2.gz KQYXOTOAKIWIQM-UHFFFAOYSA-N 2 0 281.444 1.711 10 0 CDAERP COCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001409859360 912202085 /nfs/dbraw/zinc/20/20/85/912202085.db2.gz ZHOUIHXCVIVRIH-OAHLLOKOSA-N 2 0 297.443 1.089 10 0 CDAERP CCC[NH2+]C[C@@]1(C)CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001484099969 915435558 /nfs/dbraw/zinc/43/55/58/915435558.db2.gz BGOIPHAVULDUCI-MRXNPFEDSA-N 2 0 293.455 1.853 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](CC[NH2+]CC3CC3)C2)C1 ZINC001484549698 915878264 /nfs/dbraw/zinc/87/82/64/915878264.db2.gz KZBJEENUTRWPPH-LSDHHAIUSA-N 2 0 279.428 1.176 10 0 CDAERP CCC[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001484638078 915988935 /nfs/dbraw/zinc/98/89/35/915988935.db2.gz CSGDVNOAFBNUSZ-AWEZNQCLSA-N 2 0 281.444 1.899 10 0 CDAERP C[NH+](C)CCC(=O)N1CCCC[C@H]1C[NH2+]C/C=C\Cl ZINC001485039615 916416049 /nfs/dbraw/zinc/41/60/49/916416049.db2.gz PLTWNALPKWPNAT-UJZCVKTISA-N 2 0 287.835 1.661 10 0 CDAERP C[NH+](C)CCC(=O)NC1CC(C[NH2+]CC2CCC2)C1 ZINC001485100768 916498570 /nfs/dbraw/zinc/49/85/70/916498570.db2.gz JHTPXCVWRBNKMK-UHFFFAOYSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@H](NC(=O)C12CCC[NH+]1CCC2)[C@H](C)[NH2+]CCCF ZINC001485167680 916603679 /nfs/dbraw/zinc/60/36/79/916603679.db2.gz XNZIHLAOSRMCRN-STQMWFEESA-N 2 0 285.407 1.457 10 0 CDAERP CC(C)[N@H+](C)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001485302696 916812735 /nfs/dbraw/zinc/81/27/35/916812735.db2.gz NJNUAMVKLSDNEZ-TZMCWYRMSA-N 2 0 267.417 1.173 10 0 CDAERP CCCC[C@@H](C[NH2+]CC)NC(=O)[C@@H]1CCc2nccn2C1 ZINC001485465392 916986864 /nfs/dbraw/zinc/98/68/64/916986864.db2.gz JNTMFIYZBJRAEG-KGLIPLIRSA-N 2 0 292.427 1.730 10 0 CDAERP CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001485617804 917132010 /nfs/dbraw/zinc/13/20/10/917132010.db2.gz IBUDEWGYULBBOX-YHUYYLMFSA-N 2 0 293.455 1.422 10 0 CDAERP CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCC[NH+](C)C)C[C@H]2C1 ZINC001485658206 917158769 /nfs/dbraw/zinc/15/87/69/917158769.db2.gz TXBJQWRKDUKZMH-HRCADAONSA-N 2 0 295.471 1.955 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H](C[NH2+]C/C=C\Cl)C2)C1 ZINC001485701976 917206159 /nfs/dbraw/zinc/20/61/59/917206159.db2.gz DNPVGZHGUGFAKV-GFAIVZKWSA-N 2 0 299.846 1.565 10 0 CDAERP CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCn2cncc2C1 ZINC001485728073 917236859 /nfs/dbraw/zinc/23/68/59/917236859.db2.gz STMLUKDUVSOFJW-OLZOCXBDSA-N 2 0 278.400 1.340 10 0 CDAERP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]C/C=C/Cl ZINC001366346907 917357657 /nfs/dbraw/zinc/35/76/57/917357657.db2.gz PSOAPXXZQHGIHC-WEPHUFDCSA-N 2 0 273.808 1.175 10 0 CDAERP C[C@@H]1[C@H]([NH2+]CCCF)CCN1C(=O)C[NH+]1CCCC1 ZINC001486094512 920695077 /nfs/dbraw/zinc/69/50/77/920695077.db2.gz BRYAEOFWEILUNC-CHWSQXEVSA-N 2 0 271.380 1.021 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001486201072 920806393 /nfs/dbraw/zinc/80/63/93/920806393.db2.gz BPLGEYJFCYPNFH-ZIAGYGMSSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C(C)(C)C ZINC001486403446 920987610 /nfs/dbraw/zinc/98/76/10/920987610.db2.gz OJJJVVQBLCTXRF-ZIAGYGMSSA-N 2 0 283.460 2.000 10 0 CDAERP CC[C@@H](F)C[NH2+]C1CC(N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001486480509 921057099 /nfs/dbraw/zinc/05/70/99/921057099.db2.gz UQBOELSAXMXNJX-IYXRBSQSSA-N 2 0 287.423 1.655 10 0 CDAERP CC1(C)C[C@H](C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)C(C)(C)O1 ZINC000709702086 923209499 /nfs/dbraw/zinc/20/94/99/923209499.db2.gz JWTFCMSXCZPQLS-JHJVBQTASA-N 2 0 252.402 1.731 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001490958265 936835529 /nfs/dbraw/zinc/83/55/29/936835529.db2.gz TWWQOLXHGXQFSU-RBSFLKMASA-N 2 0 299.434 1.847 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000711277931 923454368 /nfs/dbraw/zinc/45/43/68/923454368.db2.gz CUUQFVCGSIYIJU-CYBMUJFWSA-N 2 0 267.417 1.223 10 0 CDAERP CN(C(=O)[C@]12CCC[C@H]1[NH2+]CC2)[C@H]1C[NH+]2CCC1CC2 ZINC000711290421 923458186 /nfs/dbraw/zinc/45/81/86/923458186.db2.gz CBVKLQHCLKVDPH-LZWOXQAQSA-N 2 0 277.412 1.071 10 0 CDAERP CCO[C@H]1C[C@H](O)C12CC[NH+](CCC[NH2+]C1CC1)CC2 ZINC000923314604 923730030 /nfs/dbraw/zinc/73/00/30/923730030.db2.gz WPIRGEPOSNAJRH-GJZGRUSLSA-N 2 0 282.428 1.380 10 0 CDAERP C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000923410824 923814350 /nfs/dbraw/zinc/81/43/50/923814350.db2.gz KGAOIBLDBIBTDK-YRGRVCCFSA-N 2 0 282.359 1.092 10 0 CDAERP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000923414298 923817493 /nfs/dbraw/zinc/81/74/93/923817493.db2.gz LDFTVERBLFOTHQ-XQQFMLRXSA-N 2 0 268.426 1.050 10 0 CDAERP CO[C@H]1C[C@@H](C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)C1 ZINC000923443536 923831964 /nfs/dbraw/zinc/83/19/64/923831964.db2.gz FNIGTWJPUNUIFW-MJBXVCDLSA-N 2 0 268.401 1.241 10 0 CDAERP CC(C)[C@H](C(=O)N1CCC[C@@H](C[NH2+]CCF)C1)[NH+](C)C ZINC001491184050 936870045 /nfs/dbraw/zinc/87/00/45/936870045.db2.gz DQGRUDZFRAIJDF-UONOGXRCSA-N 2 0 287.423 1.370 10 0 CDAERP CC(C)N(C(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1)C(C)C ZINC000923501764 923885051 /nfs/dbraw/zinc/88/50/51/923885051.db2.gz VFYIQZSSHPEHOB-RBSFLKMASA-N 2 0 283.460 1.937 10 0 CDAERP C(CC1CC[NH2+]CC1)CN1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923534289 923915354 /nfs/dbraw/zinc/91/53/54/923915354.db2.gz SVXYOBVWSOLYGV-MRXNPFEDSA-N 2 0 265.445 1.984 10 0 CDAERP CCC/C=C\CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001491324600 936894847 /nfs/dbraw/zinc/89/48/47/936894847.db2.gz ABUHLWKHOADGQB-DBKWNLEQSA-N 2 0 293.455 1.731 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1cncs1 ZINC001491505873 936925974 /nfs/dbraw/zinc/92/59/74/936925974.db2.gz PTYDMCZATUPBJI-DGCLKSJQSA-N 2 0 296.440 1.222 10 0 CDAERP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC001119067305 925010442 /nfs/dbraw/zinc/01/04/42/925010442.db2.gz HFBJRZKSTHMOCY-KDBYPZKRSA-N 2 0 265.401 1.103 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCCC[NH+](C)Cc1cccnc1 ZINC001490282571 927079499 /nfs/dbraw/zinc/07/94/99/927079499.db2.gz ZCNVGBHYZIBIPL-UHFFFAOYSA-N 2 0 292.427 1.360 10 0 CDAERP C[C@@H](Cc1c[nH]cn1)C(=O)N(C)C1CC([NH2+]CCF)C1 ZINC001411246246 927304678 /nfs/dbraw/zinc/30/46/78/927304678.db2.gz HVMJSLRLNIRLCB-ZBOXLXRLSA-N 2 0 282.363 1.137 10 0 CDAERP CO[C@@H]1CC[C@H]([N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)C1 ZINC000852762356 927865001 /nfs/dbraw/zinc/86/50/01/927865001.db2.gz KUYXUELLPKKFRU-ZNMIVQPWSA-N 2 0 270.417 1.597 10 0 CDAERP Cc1c(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)ccnc1F ZINC000862278247 929397449 /nfs/dbraw/zinc/39/74/49/929397449.db2.gz FKMUZRUUOQJSCY-HNNXBMFYSA-N 2 0 295.402 1.856 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000863544211 929567603 /nfs/dbraw/zinc/56/76/03/929567603.db2.gz NMWVANXRUTZTCV-GRYCIOLGSA-N 2 0 276.471 1.192 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@]1(C)CC1(Cl)Cl ZINC000817935742 930636359 /nfs/dbraw/zinc/63/63/59/930636359.db2.gz DCYCDIKSROTFDW-ZJUUUORDSA-N 2 0 269.216 1.914 10 0 CDAERP C[NH+](C)CCOc1ccc(CC[NH2+]C[C@H](O)C2CC2)cc1 ZINC000819018028 930752023 /nfs/dbraw/zinc/75/20/23/930752023.db2.gz NQCRRGMNOWLTFV-KRWDZBQOSA-N 2 0 292.423 1.530 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CCCC1CCC1 ZINC001274263217 931485861 /nfs/dbraw/zinc/48/58/61/931485861.db2.gz OGAPHBQSWDAXQJ-RXYHWBRQSA-N 2 0 293.455 1.923 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C)([NH2+]CCCF)CC1 ZINC001274350456 931492642 /nfs/dbraw/zinc/49/26/42/931492642.db2.gz KHHASNOYWDSPNE-CQSZACIVSA-N 2 0 299.434 1.801 10 0 CDAERP CC[C@@H](C(=O)NC/C=C\C[NH2+]C[C@H]1CCCCO1)[NH+](C)C ZINC001274369059 931494520 /nfs/dbraw/zinc/49/45/20/931494520.db2.gz OYAGTHREEDGAAB-WJNHHXLDSA-N 2 0 297.443 1.158 10 0 CDAERP CC[C@H](C)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001274763272 931570688 /nfs/dbraw/zinc/57/06/88/931570688.db2.gz JSXFMWHOCCOFAP-MELADBBJSA-N 2 0 269.433 1.611 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C[C@H]2CN(C3CC3)C(=O)O2)C[C@H]1C ZINC000844301486 931576005 /nfs/dbraw/zinc/57/60/05/931576005.db2.gz WPLZGVHSYIIIAD-SNPRPXQTSA-N 2 0 295.427 1.774 10 0 CDAERP CC(C)=CC[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001275208860 931699449 /nfs/dbraw/zinc/69/94/49/931699449.db2.gz DJGZNLSVEFHYQW-NRXISQOPSA-N 2 0 279.428 1.531 10 0 CDAERP C[C@@H](C[NH2+]CCC(F)(F)F)NC(=O)C1(C[NH+](C)C)CC1 ZINC001275286198 931724375 /nfs/dbraw/zinc/72/43/75/931724375.db2.gz OKDBJUKLZBVXIR-JTQLQIEISA-N 2 0 295.349 1.375 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)[NH2+]CC1CCCC1 ZINC001275479855 931820884 /nfs/dbraw/zinc/82/08/84/931820884.db2.gz COKHQNOOBPLOHU-CHWSQXEVSA-N 2 0 269.433 1.611 10 0 CDAERP CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001411703444 931969824 /nfs/dbraw/zinc/96/98/24/931969824.db2.gz QEWLUHMBIIJGMH-BZUAXINKSA-N 2 0 295.471 1.955 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](C)N1CCCCC1 ZINC000234726933 932584887 /nfs/dbraw/zinc/58/48/87/932584887.db2.gz IHCLZRXYCHAYRW-UONOGXRCSA-N 2 0 257.422 1.204 10 0 CDAERP COCC[N@H+](C)CCC[NH2+][C@@H](C1CCC1)[C@H]1CCOC1 ZINC000924652513 932809500 /nfs/dbraw/zinc/80/95/00/932809500.db2.gz ATACBEFYHHMAIV-HOTGVXAUSA-N 2 0 284.444 1.750 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CCOC12CCCCC2)N1CC[NH+](C)CC1 ZINC000924965725 932838020 /nfs/dbraw/zinc/83/80/20/932838020.db2.gz PBICDBPZQQGLEA-HZPDHXFCSA-N 2 0 295.471 1.704 10 0 CDAERP C[C@@H]1[C@H](NC(=O)N(C)CCCn2ccnc2)CC[N@@H+]1C ZINC000925328721 932873957 /nfs/dbraw/zinc/87/39/57/932873957.db2.gz IBKKSFMZLYVNEF-CHWSQXEVSA-N 2 0 279.388 1.007 10 0 CDAERP C[C@H]1[C@@H](NC(=O)NCC[NH+]2CCCC(C)(C)C2)CC[N@@H+]1C ZINC000925335459 932874919 /nfs/dbraw/zinc/87/49/19/932874919.db2.gz VSRPEATWXHOMCX-KBPBESRZSA-N 2 0 296.459 1.500 10 0 CDAERP CCN1CC[NH+](C[C@@H](C)CN[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925491821 932893255 /nfs/dbraw/zinc/89/32/55/932893255.db2.gz RSHRPSLGMFMYAI-JKSUJKDBSA-N 2 0 294.487 1.134 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCCn2cccn2)C1 ZINC000925533328 932900305 /nfs/dbraw/zinc/90/03/05/932900305.db2.gz LNMQQFVEHNHFDH-STQMWFEESA-N 2 0 250.390 1.769 10 0 CDAERP CCNC(=O)N1CC[C@H]([NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925588635 932910779 /nfs/dbraw/zinc/91/07/79/932910779.db2.gz RNXUTFIQFIWRDC-RWMBFGLXSA-N 2 0 282.432 1.286 10 0 CDAERP Cn1cnc(CC[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)c1 ZINC000925693153 932927433 /nfs/dbraw/zinc/92/74/33/932927433.db2.gz LQTUKZAMULZWBI-YPMHNXCESA-N 2 0 250.390 1.458 10 0 CDAERP CCO[C@H](CN[C@@H](C)[C@@H]1CCCC[NH2+]1)C[NH+](C)C ZINC000925837637 932944748 /nfs/dbraw/zinc/94/47/48/932944748.db2.gz RVSCRMNFFBQHHR-MJBXVCDLSA-N 2 0 257.422 1.073 10 0 CDAERP [NH3+]C[C@@]1(c2ccccc2)C[C@H](N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000925882632 932950299 /nfs/dbraw/zinc/95/02/99/932950299.db2.gz SKCDHYRZVYTJAI-YESZJQIVSA-N 2 0 285.435 1.920 10 0 CDAERP C[N@H+](CCCC[NH2+][C@@H]1CCOC12CCOCC2)C1CC1 ZINC000926558019 932999869 /nfs/dbraw/zinc/99/98/69/932999869.db2.gz FLSRBZLQEUDMTG-OAHLLOKOSA-N 2 0 282.428 1.789 10 0 CDAERP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CN3C[C@@H]2CCC3)CC1 ZINC000926795830 933024740 /nfs/dbraw/zinc/02/47/40/933024740.db2.gz IVKKFTTVIYQMFT-JWMHWRSXSA-N 2 0 265.445 1.933 10 0 CDAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+]1CC[C@@H](C)C1 ZINC000929462571 933236184 /nfs/dbraw/zinc/23/61/84/933236184.db2.gz USXHGMQONCOHCP-MGPQQGTHSA-N 2 0 267.417 1.175 10 0 CDAERP CN(CC[C@H]1CCCC[N@@H+]1C)C[C@H](O)C1(O)CCCC1 ZINC000929722746 933263073 /nfs/dbraw/zinc/26/30/73/933263073.db2.gz PGWOSKJZOIDYGC-CABCVRRESA-N 2 0 284.444 1.459 10 0 CDAERP CCN(C)C[C@H](O)C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000691913182 933263799 /nfs/dbraw/zinc/26/37/99/933263799.db2.gz URPRFPLAAWKZQN-HNNXBMFYSA-N 2 0 283.460 1.107 10 0 CDAERP COC(=O)/C=C(/C)CN1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000931685133 933608091 /nfs/dbraw/zinc/60/80/91/933608091.db2.gz ZEPJFOGTYBZWFM-ZVHGMHCTSA-N 2 0 289.379 1.711 10 0 CDAERP C[N@@H+]1C[C@@H]2C[NH+](C[C@H]3C[C@]34CCOC4)C[C@]2(C)C1 ZINC000933734836 933853532 /nfs/dbraw/zinc/85/35/32/933853532.db2.gz RWQTYOCITRDCJW-KBXIAJHMSA-N 2 0 250.386 1.297 10 0 CDAERP CCC[NH2+]C[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001495789241 934716685 /nfs/dbraw/zinc/71/66/85/934716685.db2.gz ULCWEKGKZLHMHH-STQMWFEESA-N 2 0 257.422 1.325 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)C1 ZINC001413184997 935934186 /nfs/dbraw/zinc/93/41/86/935934186.db2.gz GHXODJWTUIEFNH-FPCVCCKLSA-N 2 0 293.455 1.850 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cscn1)[NH+](C)C ZINC001568677745 1169427213 /nfs/dbraw/zinc/42/72/13/1169427213.db2.gz GAVTYWBBQQQOQK-AAEUAGOBSA-N 2 0 298.456 1.468 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N[C@H]1C[C@H]([NH+](C)C)C1(C)C ZINC001162914057 939161018 /nfs/dbraw/zinc/16/10/18/939161018.db2.gz GUYHVBZADRJBSX-AGIUHOORSA-N 2 0 269.433 1.419 10 0 CDAERP COCCOCCCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405301123 940980355 /nfs/dbraw/zinc/98/03/55/940980355.db2.gz JLFIAZLGXZSQQV-QWHCGFSZSA-N 2 0 256.390 1.289 10 0 CDAERP CC[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1[NH2+]CCCF ZINC001276772517 941041402 /nfs/dbraw/zinc/04/14/02/941041402.db2.gz OYGJIPJOGPLMKS-LSDHHAIUSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)[NH+](C)C2CC2)C1 ZINC001362019501 970783147 /nfs/dbraw/zinc/78/31/47/970783147.db2.gz KJJDDTUBJMPMRG-UONOGXRCSA-N 2 0 281.444 1.706 10 0 CDAERP CCC[NH+]1CCN(C(=O)[C@@H]2CC[C@H]3C[C@@H](C)C[N@@H+]3C2)CC1 ZINC001362027371 970791739 /nfs/dbraw/zinc/79/17/39/970791739.db2.gz AKUIDOXQPGYTNS-OAGGEKHMSA-N 2 0 293.455 1.661 10 0 CDAERP CCN1CC[C@@H]1C(=O)NC[C@H](CC(C)C)[NH+](CC)CC ZINC001362044488 970811885 /nfs/dbraw/zinc/81/18/85/970811885.db2.gz YVXDADWADKHXMD-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CCN(CC[NH2+]C[C@@H](C)OC)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001568764269 1169465345 /nfs/dbraw/zinc/46/53/45/1169465345.db2.gz CFLCGJXQGMYTIU-CQSZACIVSA-N 2 0 299.459 1.334 10 0 CDAERP CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001277001074 941800807 /nfs/dbraw/zinc/80/08/07/941800807.db2.gz IESPEBLHSOUQSO-VGWMRTNUSA-N 2 0 293.455 1.898 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC001362081332 970860034 /nfs/dbraw/zinc/86/00/34/970860034.db2.gz TTWSQXGQTLMWNT-OWCLPIDISA-N 2 0 293.455 1.707 10 0 CDAERP C[C@H](CCC[NH2+]CC1CC1)NC(=O)C1CC[NH+](C)CC1 ZINC001277291088 942301541 /nfs/dbraw/zinc/30/15/41/942301541.db2.gz OUYHGTMRBSNFLG-CYBMUJFWSA-N 2 0 281.444 1.613 10 0 CDAERP c1cn2c(cccc2C[NH2+]CCCC[NH+]2CCOCC2)n1 ZINC001473936476 970901947 /nfs/dbraw/zinc/90/19/47/970901947.db2.gz WJNWYLKLTBZEMD-UHFFFAOYSA-N 2 0 288.395 1.536 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]CCF)C(C)(C)C)C1 ZINC001284652026 943233718 /nfs/dbraw/zinc/23/37/18/943233718.db2.gz DCYBBBUSCRTGSC-NWDGAFQWSA-N 2 0 273.396 1.028 10 0 CDAERP CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001277693178 943341982 /nfs/dbraw/zinc/34/19/82/943341982.db2.gz JFBGVQZMFKSFLN-OCCSQVGLSA-N 2 0 267.417 1.175 10 0 CDAERP CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001277719176 943405094 /nfs/dbraw/zinc/40/50/94/943405094.db2.gz ZCTIKZLCKWYPNT-CHWSQXEVSA-N 2 0 255.406 1.173 10 0 CDAERP CC(C)=CC[N@H+](C)CCCNC(=O)CCN1CCOCC1 ZINC001265048288 944212231 /nfs/dbraw/zinc/21/22/31/944212231.db2.gz OHXIQRBAAOBAMW-UHFFFAOYSA-N 2 0 297.443 1.113 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCCC[NH+](C)C[C@H]1CCCOC1 ZINC001265072637 944219343 /nfs/dbraw/zinc/21/93/43/944219343.db2.gz AJTMYACIYJZZGD-OAHLLOKOSA-N 2 0 299.459 1.191 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)CCC1CC1 ZINC001265128290 944240921 /nfs/dbraw/zinc/24/09/21/944240921.db2.gz UAOWYGBTBOFECZ-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001265441390 944389185 /nfs/dbraw/zinc/38/91/85/944389185.db2.gz FRUUNBMNMKURJW-UONOGXRCSA-N 2 0 265.401 1.237 10 0 CDAERP CC(C)OCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001265470948 944400915 /nfs/dbraw/zinc/40/09/15/944400915.db2.gz YCYHGYRJHIXTSK-KKUMJFAQSA-N 2 0 297.443 1.133 10 0 CDAERP C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001362334733 971164141 /nfs/dbraw/zinc/16/41/41/971164141.db2.gz KHWMAEYVGHRUPK-RRFJBIMHSA-N 2 0 281.444 1.517 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2C[C@@H]([NH2+]CCC3CC3)C2)C1 ZINC001479336819 971301928 /nfs/dbraw/zinc/30/19/28/971301928.db2.gz AWZZWHVXIBGOMJ-OAGGEKHMSA-N 2 0 293.455 1.613 10 0 CDAERP CC(C)CC[N@H+](C)CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001479809738 971431439 /nfs/dbraw/zinc/43/14/39/971431439.db2.gz XVUWYTPDMKJJHN-OAHLLOKOSA-N 2 0 283.460 1.812 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCCC[N@@H+](C)CC2CC2)C1 ZINC001479808707 971431703 /nfs/dbraw/zinc/43/17/03/971431703.db2.gz MIROHYDSXGANPE-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H]([NH2+]CCCF)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001279017554 948608353 /nfs/dbraw/zinc/60/83/53/948608353.db2.gz LOFBOESTDVHEIQ-KGLIPLIRSA-N 2 0 299.434 1.514 10 0 CDAERP CC[C@@H]1C[N@H+](CC)CCN1C(=O)[C@@H](C)CC[NH+](C)C ZINC001569014952 1169595427 /nfs/dbraw/zinc/59/54/27/1169595427.db2.gz SXSVDDPJOHEROE-UONOGXRCSA-N 2 0 269.433 1.517 10 0 CDAERP COCCC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001479971504 971519984 /nfs/dbraw/zinc/51/99/84/971519984.db2.gz AMZNNUPRCRYMCW-OAHLLOKOSA-N 2 0 297.443 1.089 10 0 CDAERP O=C(N[C@H]1C[C@H]([NH2+]CCCF)C1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001480160770 971608584 /nfs/dbraw/zinc/60/85/84/971608584.db2.gz HNJVPEIBOYPUAY-TUVASFSCSA-N 2 0 297.418 1.600 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]CCF)CC[N@@H+]1C ZINC001480357779 971686277 /nfs/dbraw/zinc/68/62/77/971686277.db2.gz DLQDLHBJAWUVEY-KKUMJFAQSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001480591134 971798038 /nfs/dbraw/zinc/79/80/38/971798038.db2.gz BXYNTONKEROTEF-LSDHHAIUSA-N 2 0 297.443 1.015 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]C/C=C/Cl)C1 ZINC001480654454 971825987 /nfs/dbraw/zinc/82/59/87/971825987.db2.gz VVNQHVLDSVJUDT-QFVHEQCKSA-N 2 0 299.846 1.661 10 0 CDAERP CC(C)C[NH2+][C@H](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001480804314 971885948 /nfs/dbraw/zinc/88/59/48/971885948.db2.gz UEFZIENETUWDOG-KGLIPLIRSA-N 2 0 269.433 1.469 10 0 CDAERP C[C@H](CCNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH2+]C/C=C/Cl ZINC001480806454 971886719 /nfs/dbraw/zinc/88/67/19/971886719.db2.gz FFQHVXHLPVJUNC-MZVYLTKDSA-N 2 0 299.846 1.709 10 0 CDAERP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[C@H](CC[NH+](C)C)C1 ZINC001363562521 953459231 /nfs/dbraw/zinc/45/92/31/953459231.db2.gz KUTDJALAUXUEBQ-KBPBESRZSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@H](CN1CCOCC1)C[N@@H+]1C[C@H](N2CCCC2)C[C@H]1C ZINC001363864125 953935670 /nfs/dbraw/zinc/93/56/70/953935670.db2.gz GUVDHRCDCKLVKY-BRWVUGGUSA-N 2 0 295.471 1.513 10 0 CDAERP [NH3+]CCCCNC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC001327501530 954909949 /nfs/dbraw/zinc/90/99/49/954909949.db2.gz XGERXJPBHFKIFF-CQSZACIVSA-N 2 0 282.432 1.147 10 0 CDAERP O=C(C[NH+]1CCCC1)NCC[N@H+](CC1CCCC1)C1CC1 ZINC001493445589 972054585 /nfs/dbraw/zinc/05/45/85/972054585.db2.gz REQJSHNEHZGCJO-UHFFFAOYSA-N 2 0 293.455 1.853 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]C(C)C ZINC001491683829 955356912 /nfs/dbraw/zinc/35/69/12/955356912.db2.gz UWDQMBDXFAPLCW-CHWSQXEVSA-N 2 0 255.406 1.364 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CC(F)(F)C1 ZINC001491673271 955379318 /nfs/dbraw/zinc/37/93/18/955379318.db2.gz LFHKVEBIJQJSGY-ZYHUDNBSSA-N 2 0 289.370 1.078 10 0 CDAERP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC1CC(C)C1 ZINC001491672506 955380334 /nfs/dbraw/zinc/38/03/34/955380334.db2.gz AXGPZVGYWWYSOM-ROKHWSDSSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@H]([NH2+]CC1CCC1)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001421520331 955381285 /nfs/dbraw/zinc/38/12/85/955381285.db2.gz GIOGKZSEFVEANG-ZFWWWQNUSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCCC1CCC1 ZINC001491672263 955381601 /nfs/dbraw/zinc/38/16/01/955381601.db2.gz GDWIQUZURKTQMX-DZGCQCFKSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)[NH2+]C[C@](C)(NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001421545024 955401620 /nfs/dbraw/zinc/40/16/20/955401620.db2.gz QNAHTHWCICAXLJ-XPKDYRNWSA-N 2 0 281.444 1.610 10 0 CDAERP CC(C)OCCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001491772500 955414127 /nfs/dbraw/zinc/41/41/27/955414127.db2.gz KTEBJHCEWHBWMO-HNNXBMFYSA-N 2 0 299.459 1.332 10 0 CDAERP CC[C@@H](C)C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCC1 ZINC001421790756 955548113 /nfs/dbraw/zinc/54/81/13/955548113.db2.gz YIPYQUOEKDTZDM-CQSZACIVSA-N 2 0 281.444 1.757 10 0 CDAERP C[NH+](C)CCC(=O)NCC1([NH2+]C/C=C\Cl)CCCC1 ZINC001421842012 955585700 /nfs/dbraw/zinc/58/57/00/955585700.db2.gz SWPNKFZUYXKYIJ-UITAMQMPSA-N 2 0 287.835 1.709 10 0 CDAERP C[C@@H](F)CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001421847616 955590921 /nfs/dbraw/zinc/59/09/21/955590921.db2.gz GSDLRIWNFYUVAB-ZIAGYGMSSA-N 2 0 299.434 1.705 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)CC[NH2+]CC1=CCCCC1 ZINC001493769741 972111964 /nfs/dbraw/zinc/11/19/64/972111964.db2.gz QUZWKHFRPVSIHP-UHFFFAOYSA-N 2 0 281.444 1.877 10 0 CDAERP Cn1nccc1C1(O)CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001422194361 955831093 /nfs/dbraw/zinc/83/10/93/955831093.db2.gz LBDBPUBLYWIMIZ-CQSZACIVSA-N 2 0 292.427 1.188 10 0 CDAERP CC[C@H](C)C[N@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001422242769 955873537 /nfs/dbraw/zinc/87/35/37/955873537.db2.gz FTSAWYQLJPMRMM-LSDHHAIUSA-N 2 0 283.460 1.907 10 0 CDAERP CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001329442201 955918503 /nfs/dbraw/zinc/91/85/03/955918503.db2.gz RAXXIVPMQFGPRI-STQMWFEESA-N 2 0 255.406 1.316 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C[NH2+]CC1CC(C)(C)C1)[NH+](C)C ZINC001422736939 956299328 /nfs/dbraw/zinc/29/93/28/956299328.db2.gz VELWXYWFQKNDEO-GXTWGEPZSA-N 2 0 283.460 1.857 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@@H]2CC[NH+]2CC2CCC2)C1 ZINC001365797507 956369138 /nfs/dbraw/zinc/36/91/38/956369138.db2.gz XJRBOBGTOTUIMO-ZBFHGGJFSA-N 2 0 293.455 1.661 10 0 CDAERP c1cc(C[NH2+][C@@H]2C[C@@H]3CC[C@H]2O3)n(-c2cc[nH+]cc2)n1 ZINC001422964023 956478382 /nfs/dbraw/zinc/47/83/82/956478382.db2.gz BGQQRVHNPLNJOB-RRFJBIMHSA-N 2 0 270.336 1.677 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001423119707 956606535 /nfs/dbraw/zinc/60/65/35/956606535.db2.gz AWEQDNJMNKOGRS-CZUORRHYSA-N 2 0 299.434 1.798 10 0 CDAERP CC(C)(C(=O)NCC1([NH2+]CCF)CC1)[NH+]1CCCC1 ZINC001423250540 956688288 /nfs/dbraw/zinc/68/82/88/956688288.db2.gz FWQJWZDYYNGDDK-UHFFFAOYSA-N 2 0 271.380 1.069 10 0 CDAERP CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001330988727 956743902 /nfs/dbraw/zinc/74/39/02/956743902.db2.gz PIFNNHBNVXXWQQ-KGLIPLIRSA-N 2 0 269.433 1.755 10 0 CDAERP CCC(CC)C[NH2+][C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001366345233 956758928 /nfs/dbraw/zinc/75/89/28/956758928.db2.gz LJYZEZZRZQAOHO-HIFRSBDPSA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)CCC[NH+]1CC(N(C)C(=O)CCC[NH+](C)C)C1 ZINC001423412184 956768375 /nfs/dbraw/zinc/76/83/75/956768375.db2.gz LYTRILCBVSBITL-UHFFFAOYSA-N 2 0 283.460 1.907 10 0 CDAERP CN(CCF)CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001366585823 956994517 /nfs/dbraw/zinc/99/45/17/956994517.db2.gz RBKVUYZMAFJFBC-STQMWFEESA-N 2 0 273.396 1.124 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001424132519 957130036 /nfs/dbraw/zinc/13/00/36/957130036.db2.gz SSTHPTGTQIJZDE-CABCVRRESA-N 2 0 281.444 1.707 10 0 CDAERP CCC[N@@H+]1CC[C@H](CCNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001366844127 957218376 /nfs/dbraw/zinc/21/83/76/957218376.db2.gz KNEUCJKOYHGCDM-GJZGRUSLSA-N 2 0 281.444 1.566 10 0 CDAERP C[NH+](C)C1(C(=O)N2CC[C@H]([NH2+]CCCCCF)C2)CCC1 ZINC001317060224 957235203 /nfs/dbraw/zinc/23/52/03/957235203.db2.gz XWFQHDLATANNOK-AWEZNQCLSA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)CC[NH+]1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001366979339 957311373 /nfs/dbraw/zinc/31/13/73/957311373.db2.gz XEPUMQSFIVHCAB-UHFFFAOYSA-N 2 0 281.444 1.422 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CCCF ZINC001317246917 957378610 /nfs/dbraw/zinc/37/86/10/957378610.db2.gz XUVYGVGETQQPBB-CHWSQXEVSA-N 2 0 273.396 1.315 10 0 CDAERP Cc1cc(C[NH+]2CC(CNC(=O)CC[NH+](C)C)C2)cs1 ZINC001494589400 972263649 /nfs/dbraw/zinc/26/36/49/972263649.db2.gz ARPWFGFUJLCWQK-UHFFFAOYSA-N 2 0 295.452 1.556 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001317502989 957515861 /nfs/dbraw/zinc/51/58/61/957515861.db2.gz VQQXLMVWKPGCPI-ZIAGYGMSSA-N 2 0 267.417 1.461 10 0 CDAERP CC1(C)[C@H]([NH2+]C[C@@H]2CCC[C@@H](O)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC001332421530 957557753 /nfs/dbraw/zinc/55/77/53/957557753.db2.gz QTJWXWKFQXHWAO-ARILJUKYSA-N 2 0 266.429 1.904 10 0 CDAERP CC(C)C[C@H](C)C[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001317661032 957628297 /nfs/dbraw/zinc/62/82/97/957628297.db2.gz HGMFTGAOYGCDON-GJZGRUSLSA-N 2 0 283.460 1.668 10 0 CDAERP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1nccs1 ZINC001367135304 957698472 /nfs/dbraw/zinc/69/84/72/957698472.db2.gz DABQOFMFHZSJGQ-GFCCVEGCSA-N 2 0 296.440 1.223 10 0 CDAERP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]C/C=C\Cl)C1 ZINC001426222794 957848690 /nfs/dbraw/zinc/84/86/90/957848690.db2.gz JBLDPUQLWRBKBX-ZNIRAQBNSA-N 2 0 299.846 1.660 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH+](C)CC2CCCC2)C1 ZINC001367537040 958114722 /nfs/dbraw/zinc/11/47/22/958114722.db2.gz OWWBWGQFXSPHOI-HNNXBMFYSA-N 2 0 295.471 1.909 10 0 CDAERP CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]CC(C)C ZINC001318605824 958195900 /nfs/dbraw/zinc/19/59/00/958195900.db2.gz JXVQHPZPOOGKQP-ZDUSSCGKSA-N 2 0 257.422 1.467 10 0 CDAERP Cc1nc(C[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C)c(C)s1 ZINC001367754399 958304186 /nfs/dbraw/zinc/30/41/86/958304186.db2.gz VQZACEXBRKICHK-JTQLQIEISA-N 2 0 298.456 1.306 10 0 CDAERP CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001368622954 959003912 /nfs/dbraw/zinc/00/39/12/959003912.db2.gz MPMKZZXYILHOIW-ZBFHGGJFSA-N 2 0 299.459 1.070 10 0 CDAERP CCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001320423070 959162775 /nfs/dbraw/zinc/16/27/75/959162775.db2.gz SNAPFJPBWJEHTH-HZSPNIEDSA-N 2 0 269.433 1.611 10 0 CDAERP CC[N@H+](C)[C@H](C)CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001368974571 959346092 /nfs/dbraw/zinc/34/60/92/959346092.db2.gz CVUQXCMIORAQDX-DOMZBBRYSA-N 2 0 287.423 1.655 10 0 CDAERP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](C(C)C)CC1(C)C)[NH+](C)C ZINC001369123516 959473896 /nfs/dbraw/zinc/47/38/96/959473896.db2.gz IBXQEECURNLLDW-ZIAGYGMSSA-N 2 0 283.460 1.808 10 0 CDAERP CC[N@@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001369126897 959475183 /nfs/dbraw/zinc/47/51/83/959475183.db2.gz WCUZMKNYTJXYSM-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)[C@@H](C(=O)NC/C=C\C[NH2+]CC1CC1)[NH+](C)C ZINC001321108717 959597358 /nfs/dbraw/zinc/59/73/58/959597358.db2.gz TZJSOHCIACBZBF-GXMNPTEKSA-N 2 0 267.417 1.245 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1 ZINC001369306038 959619062 /nfs/dbraw/zinc/61/90/62/959619062.db2.gz OUGFIZCYCBIJBU-HOCLYGCPSA-N 2 0 289.423 1.575 10 0 CDAERP COc1ccc(CC[NH2+][C@H](C)CCCC[NH3+])cn1 ZINC001335383102 959761893 /nfs/dbraw/zinc/76/18/93/959761893.db2.gz QOEDQLXHPGXNPC-GFCCVEGCSA-N 2 0 251.374 1.740 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[N@H+](CC)C[C@H]1C ZINC001369708748 959822696 /nfs/dbraw/zinc/82/26/96/959822696.db2.gz MVUGNZXPYGGYOL-ZIAGYGMSSA-N 2 0 284.448 1.452 10 0 CDAERP CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001495374832 972485567 /nfs/dbraw/zinc/48/55/67/972485567.db2.gz YFEWOIKTMBTSEL-XHSDSOJGSA-N 2 0 295.471 1.955 10 0 CDAERP CCC(CC)C[NH2+][C@@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001371363109 972490546 /nfs/dbraw/zinc/49/05/46/972490546.db2.gz KVAGXBYEPVFZRG-KBPBESRZSA-N 2 0 283.460 1.859 10 0 CDAERP CCC[NH2+]C[C@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001322998514 960397578 /nfs/dbraw/zinc/39/75/78/960397578.db2.gz AXSWANUDMMNENN-GJZGRUSLSA-N 2 0 279.428 1.223 10 0 CDAERP CC(C)C[NH2+]CCC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001495444570 972502539 /nfs/dbraw/zinc/50/25/39/972502539.db2.gz HDOUDLUYOPZBCC-MRXNPFEDSA-N 2 0 295.471 1.812 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001323406577 960714913 /nfs/dbraw/zinc/71/49/13/960714913.db2.gz QFQBVWOICWINOF-GFCCVEGCSA-N 2 0 253.390 1.119 10 0 CDAERP CN(C[C@H]1CC[N@@H+]1Cc1ccccc1)C(=O)CC[NH+](C)C ZINC001418596541 960775531 /nfs/dbraw/zinc/77/55/31/960775531.db2.gz JYVJBFMCEHWYQP-MRXNPFEDSA-N 2 0 289.423 1.671 10 0 CDAERP CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](c2ccccc2)N(C)C)C1 ZINC001419511237 961776955 /nfs/dbraw/zinc/77/69/55/961776955.db2.gz JKPNHISNMUZAJE-QLFBSQMISA-N 2 0 275.396 1.546 10 0 CDAERP CC[C@H](F)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCCC1 ZINC001419596303 961857190 /nfs/dbraw/zinc/85/71/90/961857190.db2.gz QTUHXJAMYWRMGU-UONOGXRCSA-N 2 0 299.434 1.847 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)C(C)C ZINC001436334797 962186482 /nfs/dbraw/zinc/18/64/82/962186482.db2.gz QWLWPKNNTZVSIO-LSDHHAIUSA-N 2 0 283.460 1.905 10 0 CDAERP CC(C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[NH2+]CCF ZINC001419877702 962192243 /nfs/dbraw/zinc/19/22/43/962192243.db2.gz CXOJOCIXEHRWJW-KGLIPLIRSA-N 2 0 287.423 1.559 10 0 CDAERP COC[C@@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001420052085 962418890 /nfs/dbraw/zinc/41/88/90/962418890.db2.gz PDYVHIZOBYKRRL-HUUCEWRRSA-N 2 0 299.459 1.284 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH+](C)C[C@@H]1CC[C@H](C)O1 ZINC001420057410 962430114 /nfs/dbraw/zinc/43/01/14/962430114.db2.gz FAUTVPXXKUXGKW-GJZGRUSLSA-N 2 0 299.459 1.284 10 0 CDAERP Cc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001437260853 962777313 /nfs/dbraw/zinc/77/73/13/962777313.db2.gz LXNFLIPETGLWRY-ZBFHGGJFSA-N 2 0 289.423 1.541 10 0 CDAERP C[C@@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001420465334 962939045 /nfs/dbraw/zinc/93/90/45/962939045.db2.gz AADMDIIOOOBVGJ-KGLIPLIRSA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CN[C@@H](C)c1csnn1 ZINC001420518735 963002139 /nfs/dbraw/zinc/00/21/39/963002139.db2.gz RHLPVBOBYFAXHV-QWRGUYRKSA-N 2 0 299.444 1.034 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001420536927 963028049 /nfs/dbraw/zinc/02/80/49/963028049.db2.gz GFZFNNHLJOTMPX-HOTGVXAUSA-N 2 0 295.471 1.812 10 0 CDAERP C[C@@H](C[N@H+](C)C[C@@H]1CC(C)(C)CO1)NC(=O)CC[NH+](C)C ZINC001420614715 963121367 /nfs/dbraw/zinc/12/13/67/963121367.db2.gz HSLCDFAOWUJSFC-KBPBESRZSA-N 2 0 299.459 1.190 10 0 CDAERP CCC[N@H+](CCNC(=O)[C@@]12CC[NH+](C1)CCC2)CC(C)C ZINC001420616466 963125695 /nfs/dbraw/zinc/12/56/95/963125695.db2.gz AMTDXHLCSMMTAD-KRWDZBQOSA-N 2 0 295.471 1.957 10 0 CDAERP CC[N@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001420688147 963181364 /nfs/dbraw/zinc/18/13/64/963181364.db2.gz YLYFKAXJWSJBLH-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001420854140 963305051 /nfs/dbraw/zinc/30/50/51/963305051.db2.gz NANRNWBFFNIRAV-HOCLYGCPSA-N 2 0 293.455 1.565 10 0 CDAERP CC(C)[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001420953276 963383065 /nfs/dbraw/zinc/38/30/65/963383065.db2.gz KSCIRKRLAOZYIN-KBPBESRZSA-N 2 0 279.428 1.650 10 0 CDAERP Cc1cc(C[NH2+]C[C@@H](C)CNC(=O)C[N@H+](C)C(C)C)on1 ZINC001438545243 963480810 /nfs/dbraw/zinc/48/08/10/963480810.db2.gz AWOPYSZDIMLKKY-GFCCVEGCSA-N 2 0 296.415 1.165 10 0 CDAERP C[C@@H](C[NH2+]CC1CCC1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001438692488 963526944 /nfs/dbraw/zinc/52/69/44/963526944.db2.gz XWSUQVMRCGGZFT-KGLIPLIRSA-N 2 0 281.444 1.565 10 0 CDAERP CCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](CC[C@H](C)F)C1 ZINC001421374498 963578253 /nfs/dbraw/zinc/57/82/53/963578253.db2.gz RQNBYUFWPYVUMN-KBPBESRZSA-N 2 0 287.423 1.609 10 0 CDAERP C[C@H](C[NH2+]Cc1ccns1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001439154262 963658405 /nfs/dbraw/zinc/65/84/05/963658405.db2.gz OJNSMXWUGGSMBA-VXGBXAGGSA-N 2 0 296.440 1.079 10 0 CDAERP C[C@@H](C[N@H+](C)Cc1ccsc1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001439402521 963751567 /nfs/dbraw/zinc/75/15/67/963751567.db2.gz CEFHWUXTKGHZDB-JSGCOSHPSA-N 2 0 295.452 1.636 10 0 CDAERP CC(C)C[NH2+]C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001439479505 963771217 /nfs/dbraw/zinc/77/12/17/963771217.db2.gz LWFVHNMPPRNSED-UKRRQHHQSA-N 2 0 281.444 1.469 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1CC[C@H](C)F ZINC001440264692 963961371 /nfs/dbraw/zinc/96/13/71/963961371.db2.gz WETCVLMLWONZHC-KBPBESRZSA-N 2 0 287.423 1.609 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC[C@H](C)F)[C@@H]1C ZINC001440494449 964086720 /nfs/dbraw/zinc/08/67/20/964086720.db2.gz FRPICAMUAYDUKM-MJBXVCDLSA-N 2 0 287.423 1.655 10 0 CDAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]CC1CC(C)(C)C1 ZINC001440588923 964113414 /nfs/dbraw/zinc/11/34/14/964113414.db2.gz KPZFROMYAJTXKH-HIFRSBDPSA-N 2 0 295.471 1.811 10 0 CDAERP COCC[N@H+](C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001441030738 964336095 /nfs/dbraw/zinc/33/60/95/964336095.db2.gz GKFQLTIVSBYBGW-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP CCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001441030850 964338134 /nfs/dbraw/zinc/33/81/34/964338134.db2.gz GYUXYHXXJLSIPH-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@H]1CCCCC[N@H+]1CCCF ZINC001441133154 964382207 /nfs/dbraw/zinc/38/22/07/964382207.db2.gz IEXBIDLAWZJQMS-OAHLLOKOSA-N 2 0 299.434 1.803 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001441413703 964501975 /nfs/dbraw/zinc/50/19/75/964501975.db2.gz FVXXCZAYYWVHEP-IHRRRGAJSA-N 2 0 279.428 1.365 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC[C@H](C)F)C1 ZINC001441422780 964507673 /nfs/dbraw/zinc/50/76/73/964507673.db2.gz YFKKWVFYLBCMRQ-AVGNSLFASA-N 2 0 273.396 1.313 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CC2)C1 ZINC001441483893 964541918 /nfs/dbraw/zinc/54/19/18/964541918.db2.gz BREWXRFYKZDXQI-XHSDSOJGSA-N 2 0 293.455 1.898 10 0 CDAERP C[C@H](NC(=O)[C@H]1CCCC[C@H]1[NH3+])C(C)(C)C[NH+](C)C ZINC001346104647 964924950 /nfs/dbraw/zinc/92/49/50/964924950.db2.gz CPMKKPQIEZUPHA-RWMBFGLXSA-N 2 0 269.433 1.596 10 0 CDAERP Cc1ccc(C[NH+](C)CCNC(=O)C[N@@H+](C)C(C)C)cc1 ZINC001442623777 965144611 /nfs/dbraw/zinc/14/46/11/965144611.db2.gz ZFCXDNUGMWWQMY-UHFFFAOYSA-N 2 0 291.439 1.883 10 0 CDAERP C[C@H]([NH2+]CC1CCC1)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001443126111 965363997 /nfs/dbraw/zinc/36/39/97/965363997.db2.gz XSSJFWDSRDMOOL-AWEZNQCLSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]Cc1cscn1 ZINC001444412437 965824817 /nfs/dbraw/zinc/82/48/17/965824817.db2.gz VWGJCEMWUNHHFK-LBPRGKRZSA-N 2 0 296.440 1.081 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CCF)C1 ZINC001444808754 965957194 /nfs/dbraw/zinc/95/71/94/965957194.db2.gz AFCSJXXWZXJMBP-ZIAGYGMSSA-N 2 0 287.423 1.513 10 0 CDAERP CC[C@H](C(=O)N[C@@]1(CO)CCC[N@H+](CC)C1)[NH+](CC)CC ZINC001447041578 966685086 /nfs/dbraw/zinc/68/50/86/966685086.db2.gz RTMFHZBDJBSWIX-ZBFHGGJFSA-N 2 0 299.459 1.070 10 0 CDAERP CC[C@@H](C(=O)N[C@@]1(CO)CCC[N@H+](CC)C1)[NH+](CC)CC ZINC001447041573 966685197 /nfs/dbraw/zinc/68/51/97/966685197.db2.gz RTMFHZBDJBSWIX-HOCLYGCPSA-N 2 0 299.459 1.070 10 0 CDAERP CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001447370619 966769666 /nfs/dbraw/zinc/76/96/66/966769666.db2.gz GGKIPIDPUOBTET-HZPDHXFCSA-N 2 0 295.471 1.909 10 0 CDAERP C[C@@H]([NH2+]CC1CCCC1)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001447929335 966931358 /nfs/dbraw/zinc/93/13/58/966931358.db2.gz LWFMNXPQXXARGU-KGLIPLIRSA-N 2 0 293.455 1.755 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000847331885 967307285 /nfs/dbraw/zinc/30/72/85/967307285.db2.gz NVFVSJKDQUHZPJ-BYNSBNAKSA-N 2 0 296.459 1.499 10 0 CDAERP CC[C@@H](F)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001449094121 967361134 /nfs/dbraw/zinc/36/11/34/967361134.db2.gz MJCATXDRUCNTKE-CHWSQXEVSA-N 2 0 287.423 1.513 10 0 CDAERP CC[N@H+](C)CCN(C(=O)C[NH+]1CCC(C)CC1)C(C)C ZINC001449279580 967418823 /nfs/dbraw/zinc/41/88/23/967418823.db2.gz MEBTUDVYADYSTI-UHFFFAOYSA-N 2 0 283.460 1.907 10 0 CDAERP CC[N@@H+]1CCC[C@@H](CN[C@H]2CC[NH2+]C23CCCC3)C1 ZINC001354228565 968554748 /nfs/dbraw/zinc/55/47/48/968554748.db2.gz KOEUGHLCCJMMET-GJZGRUSLSA-N 2 0 265.445 1.983 10 0 CDAERP CC[NH+](CC)CC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001529415078 969039718 /nfs/dbraw/zinc/03/97/18/969039718.db2.gz LNCXUVZJBWBMSQ-STQMWFEESA-N 2 0 255.406 1.175 10 0 CDAERP C[C@@H]1CN(C(=[NH2+])NCCC[NH+]2CCCCC2)CCO1 ZINC000848982583 969377322 /nfs/dbraw/zinc/37/73/22/969377322.db2.gz DPZNNBWISODVOZ-CYBMUJFWSA-N 2 0 268.405 1.107 10 0 CDAERP C[C@H]1CN(C(=[NH2+])NCCCCC[NH+]2CCCCC2)CCO1 ZINC000849007631 969400418 /nfs/dbraw/zinc/40/04/18/969400418.db2.gz HRDAERYTUQLIHP-HNNXBMFYSA-N 2 0 296.459 1.888 10 0 CDAERP CN(C)C(=O)C[N@@H+]1CCC[C@H](c2cncn2C(C)(C)C)C1 ZINC001460969467 969578108 /nfs/dbraw/zinc/57/81/08/969578108.db2.gz BDNCWLCASDMERT-ZDUSSCGKSA-N 2 0 292.427 1.906 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC001465027081 969841404 /nfs/dbraw/zinc/84/14/04/969841404.db2.gz AGWDSSPQEFLJAB-OCCSQVGLSA-N 2 0 267.417 1.175 10 0 CDAERP C[NH+](C)C1(C)CCC(NC(=O)CC[N@@H+]2CC[C@H](F)C2)CC1 ZINC001471261521 970407071 /nfs/dbraw/zinc/40/70/71/970407071.db2.gz DHYRAQDUZZQRDT-HLIUYOAVSA-N 2 0 299.434 1.799 10 0 CDAERP CN(C)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)o1 ZINC001361915984 970671864 /nfs/dbraw/zinc/67/18/64/970671864.db2.gz KMLZTDSZMUPRJW-NSHDSACASA-N 2 0 277.368 1.308 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC001361950295 970706225 /nfs/dbraw/zinc/70/62/25/970706225.db2.gz BPLJGHYPHBELCA-HUUCEWRRSA-N 2 0 293.455 1.707 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001569646801 1169951444 /nfs/dbraw/zinc/95/14/44/1169951444.db2.gz SCKNUTGZEWJHLB-HNNXBMFYSA-N 2 0 267.417 1.485 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]([NH2+]CCF)C(C)C)[NH+](C)C ZINC001496568686 972974596 /nfs/dbraw/zinc/97/45/96/972974596.db2.gz CKAQNACZVZFTQL-VXGBXAGGSA-N 2 0 261.385 1.027 10 0 CDAERP CC[C@H](C(=O)NC[C@H]([NH2+]CC1CC1)C(C)C)[NH+](C)C ZINC001496570723 972976475 /nfs/dbraw/zinc/97/64/75/972976475.db2.gz OVXYXIHNOBXEGI-UONOGXRCSA-N 2 0 269.433 1.467 10 0 CDAERP C[C@H](CC[NH2+]CCCF)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001497208629 973244324 /nfs/dbraw/zinc/24/43/24/973244324.db2.gz MTUIKTYCRZHDNT-CQSZACIVSA-N 2 0 299.434 1.706 10 0 CDAERP C[C@H](CC[NH2+]C/C=C\Cl)NC(=O)C1([NH+](C)C)CCC1 ZINC001497206012 973245923 /nfs/dbraw/zinc/24/59/23/973245923.db2.gz PTYXJMHNYFGGQF-DJTUGOFGSA-N 2 0 287.835 1.708 10 0 CDAERP CCN(CC[NH2+]Cc1ccc(C)cc1)C(=O)CC[NH+](C)C ZINC001497448462 973352821 /nfs/dbraw/zinc/35/28/21/973352821.db2.gz WTCRQTVGUONKOI-UHFFFAOYSA-N 2 0 291.439 1.885 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1Cc1ccsc1 ZINC001417849216 973416428 /nfs/dbraw/zinc/41/64/28/973416428.db2.gz KGWCIRFLILSTNV-OCCSQVGLSA-N 2 0 295.452 1.779 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC001373399028 973416577 /nfs/dbraw/zinc/41/65/77/973416577.db2.gz DOTSYWJFYFCWER-AWEZNQCLSA-N 2 0 295.452 1.780 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC/C=C\C[NH2+]CCC2CC2)C1 ZINC001497732697 973482256 /nfs/dbraw/zinc/48/22/56/973482256.db2.gz SRSVLPCWOKJPNN-GWQWAINWSA-N 2 0 279.428 1.390 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001418040526 973543410 /nfs/dbraw/zinc/54/34/10/973543410.db2.gz HKAPBMVHQKUNHP-KKUMJFAQSA-N 2 0 283.460 1.809 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001497948450 973586249 /nfs/dbraw/zinc/58/62/49/973586249.db2.gz PHBFDSPKRUFGGN-OAHLLOKOSA-N 2 0 281.444 1.779 10 0 CDAERP CC[C@H](F)C[NH2+]C1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001418192648 973637151 /nfs/dbraw/zinc/63/71/51/973637151.db2.gz WMWQNANOIDSZAL-NFOMZHRRSA-N 2 0 299.434 1.847 10 0 CDAERP CCCCC[NH2+]C[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001498044365 973645072 /nfs/dbraw/zinc/64/50/72/973645072.db2.gz ZAQOKJLYKRHPER-DZGCQCFKSA-N 2 0 281.444 1.613 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001418330405 973751599 /nfs/dbraw/zinc/75/15/99/973751599.db2.gz LNCNMBSYHISIRT-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@@H](C(=O)NC[C@H]1C[N@H+](CCC(C)C)CCO1)[NH+](C)C ZINC001374147609 973795790 /nfs/dbraw/zinc/79/57/90/973795790.db2.gz VJGJKJHYFYSFBC-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)NCC[C@@H](C)[NH2+]CCF)C1 ZINC001418413628 973808178 /nfs/dbraw/zinc/80/81/78/973808178.db2.gz RSMUATLZGWPJLX-KGLIPLIRSA-N 2 0 287.423 1.562 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CC[C@@](C)(C[NH2+]CCF)C1 ZINC001569691379 1169968249 /nfs/dbraw/zinc/96/82/49/1169968249.db2.gz YLKUNQKSYKIMOC-HNNXBMFYSA-N 2 0 287.423 1.516 10 0 CDAERP CC[C@@H](C)C[N@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001498391514 973880491 /nfs/dbraw/zinc/88/04/91/973880491.db2.gz AFTCAGPSZDYLAF-CHWSQXEVSA-N 2 0 257.422 1.421 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCC1CC1)[NH+](C)C ZINC001498426805 973906300 /nfs/dbraw/zinc/90/63/00/973906300.db2.gz DTLXBVPTJLYBTJ-GXTWGEPZSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC2CC2)[C@@H](C)C1 ZINC001374388577 973912395 /nfs/dbraw/zinc/91/23/95/973912395.db2.gz WDYOPKKRQCENLN-ZFWWWQNUSA-N 2 0 281.444 1.563 10 0 CDAERP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@H+](C)CC1CCC1 ZINC001498457580 973929177 /nfs/dbraw/zinc/92/91/77/973929177.db2.gz RYBNNTKBLLUURN-ZDUSSCGKSA-N 2 0 269.433 1.563 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@H]([NH2+]CC2CC2)C(C)C)CC[N@@H+]1C ZINC001374418494 973933015 /nfs/dbraw/zinc/93/30/15/973933015.db2.gz GQPSOUQNTSTQFE-HRCADAONSA-N 2 0 295.471 1.857 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)C(C)C ZINC001418569881 973977057 /nfs/dbraw/zinc/97/70/57/973977057.db2.gz MWHOZVBIXFRHOM-CABCVRRESA-N 2 0 281.444 1.850 10 0 CDAERP CN(CCC[NH2+]CCF)C(=O)CC[NH+]1CCCCC1 ZINC001498657141 974013908 /nfs/dbraw/zinc/01/39/08/974013908.db2.gz GMPLXXCCSMXLJX-UHFFFAOYSA-N 2 0 273.396 1.270 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C[NH2+]C(C)C)C2CC2)CC[N@@H+]1C ZINC001498757751 974050485 /nfs/dbraw/zinc/05/04/85/974050485.db2.gz CRJJWWVGSCPHFZ-RRFJBIMHSA-N 2 0 281.444 1.610 10 0 CDAERP Cc1ncoc1C[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001374810769 974133564 /nfs/dbraw/zinc/13/35/64/974133564.db2.gz IKYPEBPCPWACNK-BXUZGUMPSA-N 2 0 296.415 1.164 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1cncc(F)c1)[NH+](C)C ZINC001374835391 974143758 /nfs/dbraw/zinc/14/37/58/974143758.db2.gz SXVGEDNCPCWRQV-BXUZGUMPSA-N 2 0 296.390 1.155 10 0 CDAERP CC[C@@H](F)C[N@H+](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001375050989 974244272 /nfs/dbraw/zinc/24/42/72/974244272.db2.gz ACSWPFCLMARRRL-CHWSQXEVSA-N 2 0 287.423 1.655 10 0 CDAERP C[C@H](C[N@H+](C)CC1CCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001375135786 974272933 /nfs/dbraw/zinc/27/29/33/974272933.db2.gz LYGBRWWAVYJRGU-CYBMUJFWSA-N 2 0 279.428 1.319 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]C/C=C\Cl ZINC001499955560 974343295 /nfs/dbraw/zinc/34/32/95/974343295.db2.gz UELJXQCMJFNBKB-VGVVRCBHSA-N 2 0 287.835 1.660 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@@]1(C)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001375893667 974503498 /nfs/dbraw/zinc/50/34/98/974503498.db2.gz FYIJNVGVMFEODO-NVXWUHKLSA-N 2 0 295.471 1.957 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001376127286 974573631 /nfs/dbraw/zinc/57/36/31/974573631.db2.gz GMQWYQQTTMMFFF-CABCVRRESA-N 2 0 299.434 1.657 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]([NH2+]CCC(C)(C)C)C2CC2)C1 ZINC001376259676 974616535 /nfs/dbraw/zinc/61/65/35/974616535.db2.gz BPKVXLMSCHIBNO-HUUCEWRRSA-N 2 0 295.471 1.859 10 0 CDAERP CC[C@@H](F)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)[NH+](C)C ZINC001376652639 974704956 /nfs/dbraw/zinc/70/49/56/974704956.db2.gz VQURYBRHGMWXAS-RGDJUOJXSA-N 2 0 285.407 1.121 10 0 CDAERP COCCCC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001502134927 974705132 /nfs/dbraw/zinc/70/51/32/974705132.db2.gz CQKSZTPLADYHJI-HNNXBMFYSA-N 2 0 299.459 1.335 10 0 CDAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1ccccc1 ZINC001376797361 974772720 /nfs/dbraw/zinc/77/27/20/974772720.db2.gz FLKOGIGKFVXHGU-LSDHHAIUSA-N 2 0 289.423 1.623 10 0 CDAERP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CC1CC(C)(C)C1 ZINC001376803581 974775666 /nfs/dbraw/zinc/77/56/66/974775666.db2.gz AXGYRHIIGPRZCA-CYBMUJFWSA-N 2 0 295.471 1.859 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC(C)([NH2+]CCCOC)CC1 ZINC001502804122 974787510 /nfs/dbraw/zinc/78/75/10/974787510.db2.gz LBGCSMPVRPJTQL-UHFFFAOYSA-N 2 0 299.459 1.335 10 0 CDAERP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCC(F)(F)F ZINC001377104805 974882433 /nfs/dbraw/zinc/88/24/33/974882433.db2.gz HRVXTZHWMPDQQV-GHMZBOCLSA-N 2 0 295.349 1.375 10 0 CDAERP CC[C@H](C(=O)NC1CC(C[NH2+]CCC2CC2)C1)[NH+](C)C ZINC001505529135 974900956 /nfs/dbraw/zinc/90/09/56/974900956.db2.gz DGZYZXSAFGDKSF-YMAMQOFZSA-N 2 0 281.444 1.611 10 0 CDAERP CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001377617820 975088289 /nfs/dbraw/zinc/08/82/89/975088289.db2.gz GADLKGMJNUMXAB-IIAWOOMASA-N 2 0 295.471 1.953 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)CCCC1CCC1 ZINC001506056732 975103161 /nfs/dbraw/zinc/10/31/61/975103161.db2.gz NSQSJTGHNFISKY-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@]2(C1)C[NH+](C(C)C)CCO2 ZINC001506721322 975205631 /nfs/dbraw/zinc/20/56/31/975205631.db2.gz AQCVZLBHZNGJAQ-MRXNPFEDSA-N 2 0 297.443 1.038 10 0 CDAERP CC[N@H+](C)CCC(=O)NCC1[C@H]2C[NH+](C/C=C\Cl)C[C@@H]12 ZINC001506822564 975229012 /nfs/dbraw/zinc/22/90/12/975229012.db2.gz QPONHWCMEDKQCE-UJUBFFBPSA-N 2 0 299.846 1.375 10 0 CDAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)CCOC1CCC1 ZINC001378218338 975293614 /nfs/dbraw/zinc/29/36/14/975293614.db2.gz FQGOMTNGTDRFMP-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC1CCC1 ZINC001378294395 975317264 /nfs/dbraw/zinc/31/72/64/975317264.db2.gz FESYXYNJWMUBON-GJZGRUSLSA-N 2 0 281.444 1.755 10 0 CDAERP CCCC[C@@H](C[NH2+]CC1CC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001378433024 975349922 /nfs/dbraw/zinc/34/99/22/975349922.db2.gz UIPHQFCZPXXBAJ-GJZGRUSLSA-N 2 0 281.444 1.755 10 0 CDAERP CCCN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CC)C1 ZINC001404452657 975394476 /nfs/dbraw/zinc/39/44/76/975394476.db2.gz XQDMLHPUSRGOGZ-GJZGRUSLSA-N 2 0 281.444 1.661 10 0 CDAERP Cc1nocc1C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001507289925 975400686 /nfs/dbraw/zinc/40/06/86/975400686.db2.gz LQJHWZCMXSNHFW-TZMCWYRMSA-N 2 0 294.399 1.014 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CC2CCC2)C[C@H]1C ZINC001507339944 975422508 /nfs/dbraw/zinc/42/25/08/975422508.db2.gz OMHVIPRUPDUKJG-HIFRSBDPSA-N 2 0 281.444 1.706 10 0 CDAERP CC(C)[NH2+]C[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001378631650 975423196 /nfs/dbraw/zinc/42/31/96/975423196.db2.gz HMCTYHJQGCXINE-CABCVRRESA-N 2 0 283.460 1.857 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001397081387 975455328 /nfs/dbraw/zinc/45/53/28/975455328.db2.gz PGFYRRWPZUDSRS-TUVASFSCSA-N 2 0 299.434 1.561 10 0 CDAERP CCC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001397215083 975499895 /nfs/dbraw/zinc/49/98/95/975499895.db2.gz LZXZIOIVWUYFFQ-LSDHHAIUSA-N 2 0 299.459 1.022 10 0 CDAERP CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)[C@H]21 ZINC001388769563 975587122 /nfs/dbraw/zinc/58/71/22/975587122.db2.gz QLRLWQBPQQPPFK-KBMXLJTQSA-N 2 0 295.471 1.952 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N(C)[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001405119433 975632614 /nfs/dbraw/zinc/63/26/14/975632614.db2.gz ILQHQXHTLJGMRC-HUUCEWRRSA-N 2 0 299.434 1.609 10 0 CDAERP C[NH+](C)CCC(=O)NCC1=CC[N@H+](CC2CC2)CC1 ZINC001508219907 975642899 /nfs/dbraw/zinc/64/28/99/975642899.db2.gz IVJYMTGSQSWFJF-UHFFFAOYSA-N 2 0 265.401 1.096 10 0 CDAERP CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC[C@H](C)F)C1)[NH+](C)C ZINC001397596912 975648797 /nfs/dbraw/zinc/64/87/97/975648797.db2.gz WQVXGJCKMGVSPV-IGQOVBAYSA-N 2 0 287.423 1.559 10 0 CDAERP CN(CC[N@H+](C)CC1CCC1)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001401431687 975658851 /nfs/dbraw/zinc/65/88/51/975658851.db2.gz PAYZKQXMBLLKHN-OAHLLOKOSA-N 2 0 281.444 1.519 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001397631969 975663225 /nfs/dbraw/zinc/66/32/25/975663225.db2.gz USDVRWFMPYXFQS-SOUVJXGZSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1cncc(C)c1)[NH+](C)C ZINC001401633692 975749451 /nfs/dbraw/zinc/74/94/51/975749451.db2.gz NSTZPQRKKMGOQN-UKRRQHHQSA-N 2 0 292.427 1.325 10 0 CDAERP C[C@H](C[NH2+]Cc1ccsc1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001401653915 975763939 /nfs/dbraw/zinc/76/39/39/975763939.db2.gz RUSYUGLVFBXAIG-OLZOCXBDSA-N 2 0 295.452 1.684 10 0 CDAERP C[C@@H](C[NH2+]Cc1cncs1)N(C)C(=O)C[NH+]1CCCC1 ZINC001405882557 975923414 /nfs/dbraw/zinc/92/34/14/975923414.db2.gz FCRAASSICDGVAK-LBPRGKRZSA-N 2 0 296.440 1.175 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1cc(C)ns1)[NH+](C)C ZINC001379580208 975936462 /nfs/dbraw/zinc/93/64/62/975936462.db2.gz GSDMLNYUQWXFFD-AAEUAGOBSA-N 2 0 298.456 1.386 10 0 CDAERP CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001389747039 975969217 /nfs/dbraw/zinc/96/92/17/975969217.db2.gz QROPABQDDZJYDM-HOTGVXAUSA-N 2 0 295.471 1.909 10 0 CDAERP CCCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001389747029 975970155 /nfs/dbraw/zinc/97/01/55/975970155.db2.gz QROPABQDDZJYDM-CVEARBPZSA-N 2 0 295.471 1.909 10 0 CDAERP CC[NH2+][C@@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)C(C)C ZINC001406072669 976002202 /nfs/dbraw/zinc/00/22/02/976002202.db2.gz HVRBOBXLBBGENR-GJZGRUSLSA-N 2 0 283.460 1.857 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1CCC(C)(C)C ZINC001401924166 976013295 /nfs/dbraw/zinc/01/32/95/976013295.db2.gz LQTKABUODWYOSG-CQSZACIVSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@H](C[N@H+](C)CC1CC1)NC(=O)CC[C@H]1CCC[NH+]1C ZINC001379693649 976015864 /nfs/dbraw/zinc/01/58/64/976015864.db2.gz SJCFRZZVRABDGC-UKRRQHHQSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCN(C)C(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001406149709 976067266 /nfs/dbraw/zinc/06/72/66/976067266.db2.gz VGEOWMXYFOYSLR-STQMWFEESA-N 2 0 298.406 1.727 10 0 CDAERP CO[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001398600537 976067241 /nfs/dbraw/zinc/06/72/41/976067241.db2.gz BAAUHEHRQWQOBN-XQLPTFJDSA-N 2 0 297.443 1.131 10 0 CDAERP C[C@H](C[N@H+](C)CCCC1CCC1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001379785965 976078575 /nfs/dbraw/zinc/07/85/75/976078575.db2.gz SACIMADGEALEOR-GDBMZVCRSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](C[NH2+]Cc1cccc(F)c1)NC(=O)C[NH+]1CCCC1 ZINC001406429483 976178890 /nfs/dbraw/zinc/17/88/90/976178890.db2.gz HBQGYXDPZDTANM-CYBMUJFWSA-N 2 0 293.386 1.516 10 0 CDAERP C[C@@H](C[NH2+]CC1CCCC1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001406487229 976219984 /nfs/dbraw/zinc/21/99/84/976219984.db2.gz QEELIRXSMYGXBF-ZFWWWQNUSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CCC1CC1 ZINC001398927886 976248700 /nfs/dbraw/zinc/24/87/00/976248700.db2.gz SJLHJOUZMIBXKU-DZGCQCFKSA-N 2 0 281.444 1.754 10 0 CDAERP Cc1cccc(C)c1C[NH2+][C@@H](C)CNC(=O)CC[NH+](C)C ZINC001390466584 976312615 /nfs/dbraw/zinc/31/26/15/976312615.db2.gz JPOVEGZPCFJZCW-HNNXBMFYSA-N 2 0 291.439 1.849 10 0 CDAERP CC(C)CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001390559530 976365496 /nfs/dbraw/zinc/36/54/96/976365496.db2.gz YULGQKPPNJHNGR-LSDHHAIUSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@H](C(=O)NCC[C@@H](C)[NH2+]C/C=C/Cl)[NH+](C)C ZINC001390674395 976431666 /nfs/dbraw/zinc/43/16/66/976431666.db2.gz XMSWQUDLEBIBMP-RQDOONKYSA-N 2 0 275.824 1.564 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001406864468 976448147 /nfs/dbraw/zinc/44/81/47/976448147.db2.gz SCCAWMZNCFDKPM-MRXNPFEDSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](F)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001406936923 976484747 /nfs/dbraw/zinc/48/47/47/976484747.db2.gz QOCPDSYBPWFBHD-MELADBBJSA-N 2 0 299.434 1.703 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001390860631 976564207 /nfs/dbraw/zinc/56/42/07/976564207.db2.gz YBTUQWLCWCWQEB-AWEZNQCLSA-N 2 0 287.423 1.659 10 0 CDAERP CN(CCC[N@H+](C)CC1CCC1)C(=O)C12CC[NH+](CC1)C2 ZINC001380980519 976638068 /nfs/dbraw/zinc/63/80/68/976638068.db2.gz HTDIUGJSHHHKCA-UHFFFAOYSA-N 2 0 293.455 1.663 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]1CC[N@H+](CCF)C1)[NH+](CC)CC ZINC001391099234 976691547 /nfs/dbraw/zinc/69/15/47/976691547.db2.gz QXWAXXWDCDJLAR-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP CC1CC(C[N@@H+]2CC[C@@H](CNC(=O)C[NH+]3CCCC3)C2)C1 ZINC001399946001 976767221 /nfs/dbraw/zinc/76/72/21/976767221.db2.gz OIGJUNQGRAEQSC-PCKAHOCUSA-N 2 0 293.455 1.566 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]CCc1cccs1 ZINC001403169124 976779172 /nfs/dbraw/zinc/77/91/72/976779172.db2.gz PRENRPRBRHLKAJ-CYBMUJFWSA-N 2 0 297.468 1.725 10 0 CDAERP COCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001403196216 976804801 /nfs/dbraw/zinc/80/48/01/976804801.db2.gz QAQKQMXXVNUTNO-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](C[C@@H](C)CC)C1 ZINC001391403340 976861583 /nfs/dbraw/zinc/86/15/83/976861583.db2.gz VJMHKJPCLYQXHQ-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)CCC(C)C ZINC001492973610 976912736 /nfs/dbraw/zinc/91/27/36/976912736.db2.gz HEALQWLGARQIEX-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CCc1nccn1[C@H](C)CC(=O)NCC1CN(CCF)C1 ZINC001400485960 977053997 /nfs/dbraw/zinc/05/39/97/977053997.db2.gz JUYHTPRRGQQIES-GFCCVEGCSA-N 2 0 296.390 1.414 10 0 CDAERP Cc1ncoc1C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001403575273 977076991 /nfs/dbraw/zinc/07/69/91/977076991.db2.gz HOKVSRUHPHVKII-DGCLKSJQSA-N 2 0 294.399 1.014 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001403636074 977116096 /nfs/dbraw/zinc/11/60/96/977116096.db2.gz UZXUZVKEGLQJSG-GJZGRUSLSA-N 2 0 299.459 1.047 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001403782614 977190566 /nfs/dbraw/zinc/19/05/66/977190566.db2.gz BNRYHHNSAAXGLM-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]CC1CC(C)C1 ZINC001382158449 977191936 /nfs/dbraw/zinc/19/19/36/977191936.db2.gz UVDGUFZFWJPINI-SHARSMKWSA-N 2 0 293.455 1.565 10 0 CDAERP CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1conc1C)[NH+](C)C ZINC001392123795 977227355 /nfs/dbraw/zinc/22/73/55/977227355.db2.gz NWWQBQNCNVNFEO-RISCZKNCSA-N 2 0 296.415 1.260 10 0 CDAERP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]C[C@@H]1CCCCO1 ZINC001400939660 977250353 /nfs/dbraw/zinc/25/03/53/977250353.db2.gz ZVXQQXDGJGPDRL-GJZGRUSLSA-N 2 0 297.443 1.136 10 0 CDAERP CC(C)N(CC[N@H+](C)CCO)C(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001403950469 977277990 /nfs/dbraw/zinc/27/79/90/977277990.db2.gz WTEQCOCZNQBNHX-GASCZTMLSA-N 2 0 299.459 1.020 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001404020722 977309947 /nfs/dbraw/zinc/30/99/47/977309947.db2.gz WTRBMFMUASKQJM-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)C1CC1 ZINC001404261038 977382102 /nfs/dbraw/zinc/38/21/02/977382102.db2.gz BSYJROZMLLDLIH-HUUCEWRRSA-N 2 0 279.428 1.604 10 0 CDAERP CC[C@@H](F)CN1CC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001392877854 977634371 /nfs/dbraw/zinc/63/43/71/977634371.db2.gz PLLPUEVLLVWSIF-HUUCEWRRSA-N 2 0 299.434 1.801 10 0 CDAERP c1nn2c(c1C[NH2+]C1CCN(c3cc[nH+]cc3)CC1)CCC2 ZINC001414119914 977634814 /nfs/dbraw/zinc/63/48/14/977634814.db2.gz QQKHBXVKHRNWLJ-UHFFFAOYSA-N 2 0 297.406 1.983 10 0 CDAERP CN(CCC[N@H+](C)CCCF)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001393640806 977878296 /nfs/dbraw/zinc/87/82/96/977878296.db2.gz FZNACWCXQAPLQY-CQSZACIVSA-N 2 0 287.423 1.468 10 0 CDAERP CN(CC(C)(C)C[NH2+]CC1CC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001394035996 978016996 /nfs/dbraw/zinc/01/69/96/978016996.db2.gz SZRBEEPFBSSIPS-OAHLLOKOSA-N 2 0 295.471 1.812 10 0 CDAERP C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[N@H+](C)CC1CC1 ZINC001394069252 978047583 /nfs/dbraw/zinc/04/75/83/978047583.db2.gz OJHKWUPZHIURLN-DOMZBBRYSA-N 2 0 279.428 1.175 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[N@H+](C)CC1CC1 ZINC001394069267 978049405 /nfs/dbraw/zinc/04/94/05/978049405.db2.gz OJHKWUPZHIURLN-WFASDCNBSA-N 2 0 279.428 1.175 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000810201676 1163180415 /nfs/dbraw/zinc/18/04/15/1163180415.db2.gz LOSGIVCZRNBVTF-LRDDRELGSA-N 2 0 297.418 1.552 10 0 CDAERP CN(C[C@H]1CC[N@@H+]1CCC1CC1)C(=O)CCC[NH+](C)C ZINC001396994183 978569192 /nfs/dbraw/zinc/56/91/92/978569192.db2.gz HQNMNTVHGAZSSW-OAHLLOKOSA-N 2 0 281.444 1.661 10 0 CDAERP C[N@@H+]1CCC[C@H](CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000810369264 1163200569 /nfs/dbraw/zinc/20/05/69/1163200569.db2.gz QASMXMRMOCUAMD-CJNGLKHVSA-N 2 0 299.434 1.657 10 0 CDAERP COCC[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001674727893 1173998830 /nfs/dbraw/zinc/99/88/30/1173998830.db2.gz BPHDZMFJQYVQPS-CHWSQXEVSA-N 2 0 287.448 1.094 10 0 CDAERP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)CCC1CC1)[NH+](C)C ZINC001674997519 1174058659 /nfs/dbraw/zinc/05/86/59/1174058659.db2.gz VMLZTLOADXJYFJ-OCCSQVGLSA-N 2 0 269.433 1.563 10 0 CDAERP CCC[NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCCCC1 ZINC001675214003 1174083727 /nfs/dbraw/zinc/08/37/27/1174083727.db2.gz NVLZMHYRALDZDD-UHFFFAOYSA-N 2 0 281.444 1.901 10 0 CDAERP C[N@H+](CC(=O)N1C[C@@H]([NH2+]CCCF)C(C)(C)C1)C1CCC1 ZINC001677003651 1174308226 /nfs/dbraw/zinc/30/82/26/1174308226.db2.gz IEVOXQAMGFAKBQ-CQSZACIVSA-N 2 0 299.434 1.657 10 0 CDAERP CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001571254143 1170355773 /nfs/dbraw/zinc/35/57/73/1170355773.db2.gz WEPNGHLAEHEVHA-KBPBESRZSA-N 2 0 269.433 1.754 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCF)C(C)(C)C1 ZINC001571554080 1170475521 /nfs/dbraw/zinc/47/55/21/1170475521.db2.gz CRNUQLCKJRCCRW-QWHCGFSZSA-N 2 0 285.407 1.267 10 0 CDAERP CC[N@H+]1CC=C(CNC(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001571695515 1170526648 /nfs/dbraw/zinc/52/66/48/1170526648.db2.gz QQFHGWGLKMEYQS-UHFFFAOYSA-N 2 0 281.444 1.733 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCCNc2cc[nH+]cc2)C1 ZINC001650724771 1171252764 /nfs/dbraw/zinc/25/27/64/1171252764.db2.gz BXGVCCGIJCESOQ-DZGCQCFKSA-N 2 0 290.411 1.152 10 0 CDAERP CCOC(=O)CCCC[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001656311242 1171807233 /nfs/dbraw/zinc/80/72/33/1171807233.db2.gz PHQYTNGCXYWQJZ-HIFRSBDPSA-N 2 0 268.401 1.603 10 0 CDAERP CCN(C(=O)C[NH+](CC)C1CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000617926654 342479293 /nfs/dbraw/zinc/47/92/93/342479293.db2.gz GFIWVMWIORQANU-CQSZACIVSA-N 2 0 267.417 1.413 10 0 CDAERP [NH3+]CC1(CC[NH2+]C2CCN(c3ccccn3)CC2)CC1 ZINC000650712963 398155373 /nfs/dbraw/zinc/15/53/73/398155373.db2.gz AECOVVYMFZKCOV-UHFFFAOYSA-N 2 0 274.412 1.769 10 0 CDAERP [NH3+]CC1(CC[NH2+]Cc2nccn2CC(F)(F)F)CC1 ZINC000650712791 398155558 /nfs/dbraw/zinc/15/55/58/398155558.db2.gz UUPUWXWSYZLNSA-UHFFFAOYSA-N 2 0 276.306 1.664 10 0 CDAERP CN(C)c1ncc(C[NH2+]CCC2(C[NH3+])CC2)s1 ZINC000650712550 398155695 /nfs/dbraw/zinc/15/56/95/398155695.db2.gz JXBYLSAIYLZSPI-UHFFFAOYSA-N 2 0 254.403 1.428 10 0 CDAERP C[C@H](CC[NH+](C)C)[NH2+]C[C@@H](O)COCc1ccco1 ZINC000049557482 342056487 /nfs/dbraw/zinc/05/64/87/342056487.db2.gz NLLTXIKSKVLMKG-CHWSQXEVSA-N 2 0 270.373 1.087 10 0 CDAERP C[NH2+]C1CCN(C(=O)[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000237123323 342058480 /nfs/dbraw/zinc/05/84/80/342058480.db2.gz HGDIKYOVKRBZHM-OAHLLOKOSA-N 2 0 273.380 1.084 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CC1 ZINC000617008198 342605086 /nfs/dbraw/zinc/60/50/86/342605086.db2.gz DJGTVKDMURXAJC-KBPBESRZSA-N 2 0 279.428 1.602 10 0 CDAERP Cc1cc(N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc[nH+]1 ZINC000274393761 365648285 /nfs/dbraw/zinc/64/82/85/365648285.db2.gz WHJJGXYSMLFECF-QGZVFWFLSA-N 2 0 288.439 1.996 10 0 CDAERP COC(=O)[C@H]1CCCCC[N@@H+]1CCc1cncn1C ZINC000590955725 342610847 /nfs/dbraw/zinc/61/08/47/342610847.db2.gz DZHOYFFWPSLFQG-CYBMUJFWSA-N 2 0 265.357 1.380 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000591571603 342637481 /nfs/dbraw/zinc/63/74/81/342637481.db2.gz QYQKAHZERRZDMC-HUUCEWRRSA-N 2 0 294.443 1.350 10 0 CDAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C2CC[NH+](C3CC3)CC2)C1 ZINC000248818560 343999798 /nfs/dbraw/zinc/99/97/98/343999798.db2.gz VWMLFTIQGXRGLK-XJKSGUPXSA-N 2 0 293.455 1.706 10 0 CDAERP CN(CC1C[NH+](C)C1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000618192549 342138930 /nfs/dbraw/zinc/13/89/30/342138930.db2.gz QVYNKLUQLKNWSD-HNNXBMFYSA-N 2 0 279.428 1.413 10 0 CDAERP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000624312075 342151254 /nfs/dbraw/zinc/15/12/54/342151254.db2.gz ISJZZAAHGJPYRG-XLWJZTARSA-N 2 0 252.402 1.874 10 0 CDAERP C[C@@H]1CC[C@@H](NC2CC[NH+](Cc3ccccn3)CC2)C[NH2+]1 ZINC000629395904 361913080 /nfs/dbraw/zinc/91/30/80/361913080.db2.gz HMQKENHNWQTHSN-GDBMZVCRSA-N 2 0 288.439 1.776 10 0 CDAERP Cc1ccccc1C[C@@H](C)[NH2+]CCOCCC[NH3+] ZINC000629399448 361935892 /nfs/dbraw/zinc/93/58/92/361935892.db2.gz GVKZYPIBBLYQMU-CQSZACIVSA-N 2 0 250.386 1.881 10 0 CDAERP CC1CC[NH+](CC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC000335424758 539064990 /nfs/dbraw/zinc/06/49/90/539064990.db2.gz HYGMQPXQGDIZQN-INIZCTEOSA-N 2 0 279.428 1.320 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC000620621594 342256665 /nfs/dbraw/zinc/25/66/65/342256665.db2.gz OGOLHOFUVUKXIJ-LBPRGKRZSA-N 2 0 255.406 1.175 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)CCc1c[nH]cn1 ZINC000189490986 539152456 /nfs/dbraw/zinc/15/24/56/539152456.db2.gz IZTRTSBPNMBYQV-ZDUSSCGKSA-N 2 0 266.389 1.435 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000594921859 342987559 /nfs/dbraw/zinc/98/75/59/342987559.db2.gz UTPQRXOYNPFZDI-RRFJBIMHSA-N 2 0 282.428 1.896 10 0 CDAERP CCCn1cc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cn1 ZINC000441356504 362006077 /nfs/dbraw/zinc/00/60/77/362006077.db2.gz LZBOHMGFLQZIIU-UHFFFAOYSA-N 2 0 293.459 1.409 10 0 CDAERP C[NH+](CCCC[N@@H+](C)C[C@@H]1CCCO1)C[C@@H]1CCCO1 ZINC000118401517 342320939 /nfs/dbraw/zinc/32/09/39/342320939.db2.gz QQWRMMIKFDCUNC-HOTGVXAUSA-N 2 0 284.444 1.988 10 0 CDAERP CSCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595936921 343202188 /nfs/dbraw/zinc/20/21/88/343202188.db2.gz QVWREGFXJCCDCG-ZIAGYGMSSA-N 2 0 299.484 1.305 10 0 CDAERP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCC1([NH3+])CCOCC1 ZINC000629520433 362134823 /nfs/dbraw/zinc/13/48/23/362134823.db2.gz LBLPKGLLTINFBU-HIFRSBDPSA-N 2 0 277.412 1.042 10 0 CDAERP CC[C@H]([NH2+]CCOCC[NH2+]C)c1ccc2c(c1)OCCO2 ZINC000629528971 362154695 /nfs/dbraw/zinc/15/46/95/362154695.db2.gz OFQWYNDBSNQCSI-AWEZNQCLSA-N 2 0 294.395 1.735 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000629529163 362154838 /nfs/dbraw/zinc/15/48/38/362154838.db2.gz TZKFWSVBAXBPRX-AWEZNQCLSA-N 2 0 288.395 1.759 10 0 CDAERP CCO[C@@H]1C[C@@H]([NH2+]CCOCC[NH2+]C)C12CCCC2 ZINC000629529484 362157718 /nfs/dbraw/zinc/15/77/18/362157718.db2.gz DXECGYSUVJVOTQ-ZIAGYGMSSA-N 2 0 270.417 1.550 10 0 CDAERP COc1cncc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000629533223 362170561 /nfs/dbraw/zinc/17/05/61/362170561.db2.gz OJGIDSQATHESFM-QWHCGFSZSA-N 2 0 276.384 1.307 10 0 CDAERP CCOC1CC(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000643887894 362194378 /nfs/dbraw/zinc/19/43/78/362194378.db2.gz DYVBALVFFFXOMW-UQPPLGOBSA-N 2 0 296.455 1.892 10 0 CDAERP COC[C@H]1CCN1C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000645160864 362191877 /nfs/dbraw/zinc/19/18/77/362191877.db2.gz UUIHZGWKEBCPIW-CVEARBPZSA-N 2 0 278.396 1.200 10 0 CDAERP CSC1(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)CC[NH+](C)CC1 ZINC000597133769 343454069 /nfs/dbraw/zinc/45/40/69/343454069.db2.gz XZONGIGRERUTJR-UONOGXRCSA-N 2 0 284.469 1.971 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C(C)(C)C[NH3+] ZINC000251845259 344059881 /nfs/dbraw/zinc/05/98/81/344059881.db2.gz QWYOQKRKLLBTOZ-NEPJUHHUSA-N 2 0 253.390 1.057 10 0 CDAERP C[C@@H]1C[C@@H](C)N(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)C[C@H]1C[NH3+] ZINC000422540759 297234356 /nfs/dbraw/zinc/23/43/56/297234356.db2.gz MOJUOHFGOWYUMK-XHJNMGKDSA-N 2 0 267.417 1.206 10 0 CDAERP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000258648726 344408565 /nfs/dbraw/zinc/40/85/65/344408565.db2.gz FVKLXCZISSKZJQ-UONOGXRCSA-N 2 0 267.417 1.176 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)N[C@H]1CCC[NH+](C)C1 ZINC000602412318 344415023 /nfs/dbraw/zinc/41/50/23/344415023.db2.gz FVKJJUQKCVFUMF-ZDUSSCGKSA-N 2 0 270.421 1.112 10 0 CDAERP CCOC(=O)N1CCC([NH+]2CCC([NH3+])CC2)CC1 ZINC000253561915 362438586 /nfs/dbraw/zinc/43/85/86/362438586.db2.gz CQPNWSMCIPZSJZ-UHFFFAOYSA-N 2 0 255.362 1.030 10 0 CDAERP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)C(C)(C)O ZINC000604764648 344928517 /nfs/dbraw/zinc/92/85/17/344928517.db2.gz FFJNNWSAJQMZSZ-CYBMUJFWSA-N 2 0 280.412 1.876 10 0 CDAERP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000606370130 344998076 /nfs/dbraw/zinc/99/80/76/344998076.db2.gz FYPBANJDNLQKKS-KGLIPLIRSA-N 2 0 265.401 1.166 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000074200423 345663103 /nfs/dbraw/zinc/66/31/03/345663103.db2.gz HWBYPXYTQPLYJH-UHFFFAOYSA-N 2 0 296.459 1.502 10 0 CDAERP C[NH2+][C@@H]1C[C@H](C)C[C@@H](C)[C@@H]1N1CC[C@H]([NH+](C)C)C1 ZINC000084465962 178891544 /nfs/dbraw/zinc/89/15/44/178891544.db2.gz TVNFMRQIQBQFKE-QMIVOQANSA-N 2 0 253.434 1.645 10 0 CDAERP C[C@]1(C(=O)NC2CCN(c3ccccn3)CC2)CCC[NH2+]1 ZINC000079513096 362644849 /nfs/dbraw/zinc/64/48/49/362644849.db2.gz QEFAVAUZJJSEJJ-MRXNPFEDSA-N 2 0 288.395 1.309 10 0 CDAERP CNC(=O)C1CCC([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623381695 346116665 /nfs/dbraw/zinc/11/66/65/346116665.db2.gz BHDHOMKKKCPNJL-JXQTWKCFSA-N 2 0 281.444 1.754 10 0 CDAERP C[N@@H+]1CC[C@@H](N[C@H]2CC[NH+](C3CC3)C2)CC1(C)C ZINC000623403352 346169117 /nfs/dbraw/zinc/16/91/17/346169117.db2.gz SHXZXXIORXRTDD-OLZOCXBDSA-N 2 0 251.418 1.686 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCN2CCOC(C)(C)C2)CC1(C)C ZINC000623404186 346172130 /nfs/dbraw/zinc/17/21/30/346172130.db2.gz SOOSPYIPDYKGFU-AWEZNQCLSA-N 2 0 283.460 1.560 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CCc2cccc(C(N)=O)c2)CC1(C)C ZINC000623405729 346185269 /nfs/dbraw/zinc/18/52/69/346185269.db2.gz WQZSPTCJMVZXQL-OAHLLOKOSA-N 2 0 289.423 1.790 10 0 CDAERP C[C@](O)(C[NH3+])CCC[N@@H+]1CCOc2ccccc2C1 ZINC000085303110 179011424 /nfs/dbraw/zinc/01/14/24/179011424.db2.gz BFSCQDGGJYSZRU-OAHLLOKOSA-N 2 0 264.369 1.371 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)[C@H]2CCC[C@H]2[NH3+])CC1 ZINC000085359754 179031869 /nfs/dbraw/zinc/03/18/69/179031869.db2.gz LRYMECJSDHUNMI-UONOGXRCSA-N 2 0 267.417 1.495 10 0 CDAERP CC(C)(C)[NH+]1CCN(C(=O)[C@H]2CCC[C@H]2[NH3+])CC1 ZINC000085372415 179042118 /nfs/dbraw/zinc/04/21/18/179042118.db2.gz IYKNTULSQQWTKC-NWDGAFQWSA-N 2 0 253.390 1.057 10 0 CDAERP O=C(C[NH2+]C1CC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000037826182 346368807 /nfs/dbraw/zinc/36/88/07/346368807.db2.gz DPKHNLZWBCWFGR-UHFFFAOYSA-N 2 0 265.401 1.073 10 0 CDAERP CC(C)N1CC[C@@H](N[C@@H]2CC[N@H+](C)C(C)(C)C2)C1=O ZINC000623419912 346412425 /nfs/dbraw/zinc/41/24/25/346412425.db2.gz BHHAXRNXUIHMPG-CHWSQXEVSA-N 2 0 267.417 1.458 10 0 CDAERP CC[C@@](C)(O)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000364598767 358452839 /nfs/dbraw/zinc/45/28/39/358452839.db2.gz KALRVAVSVPIECB-QGZVFWFLSA-N 2 0 297.487 1.497 10 0 CDAERP CCCc1nc2c(n1[C@H](C)CC[NH+](C)C)CC[NH2+]C2 ZINC000085573482 179097912 /nfs/dbraw/zinc/09/79/12/179097912.db2.gz QVJHKGFTZUWQEO-GFCCVEGCSA-N 2 0 264.417 1.994 10 0 CDAERP CCc1nc2c(n1[C@H]1C[NH+]3CCC1CC3)CC[NH2+]C2 ZINC000085568696 179095591 /nfs/dbraw/zinc/09/55/91/179095591.db2.gz INTHADUBIULBOV-AWEZNQCLSA-N 2 0 260.385 1.358 10 0 CDAERP CC[NH+](CC)CCn1c2c(nc1C1CC1)C[NH2+]CC2 ZINC000085569387 179095867 /nfs/dbraw/zinc/09/58/67/179095867.db2.gz RTWISQUJHVPXLE-UHFFFAOYSA-N 2 0 262.401 1.748 10 0 CDAERP CCCc1nc2c(n1[C@@H](C)CC[NH+](C)C)CC[NH2+]C2 ZINC000085573480 179098144 /nfs/dbraw/zinc/09/81/44/179098144.db2.gz QVJHKGFTZUWQEO-LBPRGKRZSA-N 2 0 264.417 1.994 10 0 CDAERP CCCc1nc2c(n1C[C@@H](C)[NH+](C)C)CC[NH2+]C2 ZINC000085573137 179098620 /nfs/dbraw/zinc/09/86/20/179098620.db2.gz YJAMBLBBEJEMTE-LLVKDONJSA-N 2 0 250.390 1.431 10 0 CDAERP CC[C@H](C)[C@@H]1C[N@H+](CCn2ccnc2C)CCC[NH2+]1 ZINC000085609265 179101693 /nfs/dbraw/zinc/10/16/93/179101693.db2.gz AASMNVDVJZVYOR-ZFWWWQNUSA-N 2 0 264.417 1.902 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000227696651 346530834 /nfs/dbraw/zinc/53/08/34/346530834.db2.gz NIMXWFQNGFCCFM-DZGCQCFKSA-N 2 0 267.417 1.365 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623443000 346757577 /nfs/dbraw/zinc/75/75/77/346757577.db2.gz LEEWQYJJRXLBMT-HUUCEWRRSA-N 3 0 285.476 1.806 10 0 CDAERP C[NH+](C)[C@@]1(CN[C@@H]2CC[N@H+](C)C(C)(C)C2)CCSC1 ZINC000623439830 346758496 /nfs/dbraw/zinc/75/84/96/346758496.db2.gz ZKUMJYIKGCIQLE-UKRRQHHQSA-N 2 0 285.501 1.886 10 0 CDAERP CCCC[N@H+](C)CC1CCN(C(=O)[C@@]2([NH3+])CCOC2)CC1 ZINC000085879194 179196213 /nfs/dbraw/zinc/19/62/13/179196213.db2.gz PFXVNCGKDMHSPF-MRXNPFEDSA-N 2 0 297.443 1.075 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CN1CC[NH2+][C@H](C(C)(C)C)C1 ZINC000086145825 179238724 /nfs/dbraw/zinc/23/87/24/179238724.db2.gz DRMJPLQYNIPUDL-KBPBESRZSA-N 2 0 253.434 1.791 10 0 CDAERP CC[C@@H](C)[C@H]1CN([C@@H]2CC[N@@H+](C3CC3)C2)CC[NH2+]1 ZINC000086145969 179239037 /nfs/dbraw/zinc/23/90/37/179239037.db2.gz ZNHKJGYQGKCYAH-BPLDGKMQSA-N 2 0 251.418 1.543 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)C[C@H]1CCC2(CCCC2)O1 ZINC000641819941 365912922 /nfs/dbraw/zinc/91/29/22/365912922.db2.gz JERMIBKWPMJIFX-CQSZACIVSA-N 2 0 270.417 1.646 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000614964311 348287787 /nfs/dbraw/zinc/28/77/87/348287787.db2.gz OLVQTWKTXCPPQW-HNNXBMFYSA-N 2 0 293.455 1.805 10 0 CDAERP CN1C(=O)c2ccccc2[C@@H]1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000629537930 362953752 /nfs/dbraw/zinc/95/37/52/362953752.db2.gz MXMMDUMOENEZOL-OEUWWYETSA-N 2 0 299.418 1.791 10 0 CDAERP CC[C@@H]1CN(C(=O)c2ccn3c(C)cnc3c2)C[C@H](C)[NH2+]1 ZINC000620904444 350374236 /nfs/dbraw/zinc/37/42/36/350374236.db2.gz OWUGIPSHFCVVKO-SMDDNHRTSA-N 2 0 286.379 1.855 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000629547175 362973694 /nfs/dbraw/zinc/97/36/94/362973694.db2.gz RSPBHHUBNFFZRJ-NJVJYBDUSA-N 2 0 251.418 1.637 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1cccc(OC(F)F)c1 ZINC000629570867 363018492 /nfs/dbraw/zinc/01/84/92/363018492.db2.gz GLTBACZQJMDLRJ-UHFFFAOYSA-N 2 0 288.338 1.956 10 0 CDAERP C[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@H]1C[C@@H](C(N)=O)C1 ZINC000629582102 363046711 /nfs/dbraw/zinc/04/67/11/363046711.db2.gz NUWLWAQQEWWTSJ-OTVXOJSOSA-N 2 0 273.380 1.028 10 0 CDAERP COc1ccc([C@@H]2CC[N@H+](CCOCC[NH3+])C2)cc1F ZINC000629588214 363060815 /nfs/dbraw/zinc/06/08/15/363060815.db2.gz CWVJNYVKCIBBJP-CYBMUJFWSA-N 2 0 282.359 1.599 10 0 CDAERP O=C(NCCC[C@@H]1CCC[NH2+]1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000641988298 366092949 /nfs/dbraw/zinc/09/29/49/366092949.db2.gz PTMPKFIFEURJNA-HOCLYGCPSA-N 2 0 294.443 1.304 10 0 CDAERP CO[C@@]1(CO)CCC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000401727342 482711341 /nfs/dbraw/zinc/71/13/41/482711341.db2.gz RLDFLMHWIFEMJA-GJZGRUSLSA-N 2 0 270.417 1.334 10 0 CDAERP C[NH+](C)CCN(CC[NH+](C)C)C[C@]1(C)CCCS1 ZINC000628279203 363366404 /nfs/dbraw/zinc/36/64/04/363366404.db2.gz ZLOYMIFVQCWSMA-AWEZNQCLSA-N 2 0 273.490 1.697 10 0 CDAERP [NH2+]=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)NC1CCCCC1 ZINC000112801248 366150090 /nfs/dbraw/zinc/15/00/90/366150090.db2.gz WGLHXXYITMZIJF-ZIAGYGMSSA-N 2 0 280.416 1.296 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CCSC[C@@H]2CCO)CC[NH2+]1 ZINC000414754214 366222985 /nfs/dbraw/zinc/22/29/85/366222985.db2.gz NPBFKVUKYSRCEB-UPJWGTAASA-N 2 0 258.431 1.174 10 0 CDAERP C[C@@H](NC(=O)c1ccccc1CC[NH3+])[C@H]1CCC[NH2+]C1 ZINC000570171867 363404206 /nfs/dbraw/zinc/40/42/06/363404206.db2.gz XMRMUMWZDGIXPQ-OCCSQVGLSA-N 2 0 275.396 1.306 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000235133329 295906675 /nfs/dbraw/zinc/90/66/75/295906675.db2.gz LRXRYKDAMIJGST-UONOGXRCSA-N 2 0 281.444 1.755 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000418195546 283184702 /nfs/dbraw/zinc/18/47/02/283184702.db2.gz BTYWVGKWGQJFBO-IHRRRGAJSA-N 2 0 284.448 1.404 10 0 CDAERP COC(=O)[C@@H]1CCC[N@@H+](C2CCC3(C[C@H]3[NH3+])CC2)C1 ZINC000725271068 538461800 /nfs/dbraw/zinc/46/18/00/538461800.db2.gz WHCSOWNOJXLOAE-KLNSDEMFSA-N 2 0 266.385 1.531 10 0 CDAERP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)CC[N@@H+]1C ZINC000636109212 363537840 /nfs/dbraw/zinc/53/78/40/363537840.db2.gz GZOXYEXROWKLSV-LPWJVIDDSA-N 2 0 267.417 1.172 10 0 CDAERP C[C@@](O)(C[C@@H](O)C[NH2+]CC1CC[NH+](C2CC2)CC1)C1CC1 ZINC000634713602 357414469 /nfs/dbraw/zinc/41/44/69/357414469.db2.gz YTGAGEGABRBNSE-IAGOWNOFSA-N 2 0 296.455 1.362 10 0 CDAERP COC(=O)c1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[nH]1 ZINC000093085891 357751082 /nfs/dbraw/zinc/75/10/82/357751082.db2.gz LVCVFYPSBUZHML-AGUYFDCRSA-N 2 0 291.395 1.906 10 0 CDAERP CCC[NH+]1CCC(N(C)C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261875330 283318403 /nfs/dbraw/zinc/31/84/03/283318403.db2.gz PVQNUHNGFSMQLG-HNNXBMFYSA-N 2 0 253.434 1.792 10 0 CDAERP CC(C)C[NH+]1CCC(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000236772465 358804965 /nfs/dbraw/zinc/80/49/65/358804965.db2.gz XTEUEGIIIBZGFF-UONOGXRCSA-N 2 0 281.444 1.741 10 0 CDAERP CC1=CC[NH+](CCNC(=O)NC[C@H]2CCC[N@H+]2C)CC1 ZINC000358196106 358928214 /nfs/dbraw/zinc/92/82/14/358928214.db2.gz MXDQRRFVBXYHFX-CQSZACIVSA-N 2 0 280.416 1.032 10 0 CDAERP COCC[C@H](COC)N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000311955909 359031324 /nfs/dbraw/zinc/03/13/24/359031324.db2.gz MKFBDDWZRJNIHQ-KCPJHIHWSA-N 2 0 264.369 1.772 10 0 CDAERP C[C@]1(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC[NH2+]C1 ZINC000261880749 359076912 /nfs/dbraw/zinc/07/69/12/359076912.db2.gz QVPKVECXAKDDNN-PVAVHDDUSA-N 2 0 277.456 1.935 10 0 CDAERP [NH3+][C@H](C(=O)NCCC[NH+]1CCCCCC1)C1CCOCC1 ZINC000261887441 359077762 /nfs/dbraw/zinc/07/77/62/359077762.db2.gz VEGYIINFTNQGKI-HNNXBMFYSA-N 2 0 297.443 1.123 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261929544 359093377 /nfs/dbraw/zinc/09/33/77/359093377.db2.gz ZTZYVYARVBEQNG-ZNMIVQPWSA-N 2 0 279.428 1.319 10 0 CDAERP COCCO[C@H]1CCC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262033461 359125352 /nfs/dbraw/zinc/12/53/52/359125352.db2.gz OHPHYMUWELNRPQ-UONOGXRCSA-N 2 0 256.390 1.113 10 0 CDAERP CCC[N@H+](CCC(=O)N1CC[NH2+]CC1)C[C@H]1CCCCO1 ZINC000262218002 359146396 /nfs/dbraw/zinc/14/63/96/359146396.db2.gz UGZUWBBNBCSBEV-OAHLLOKOSA-N 2 0 297.443 1.089 10 0 CDAERP Cn1cncc1CCC[N@@H+]1CCC[C@H]1CCCO ZINC000313854655 359155900 /nfs/dbraw/zinc/15/59/00/359155900.db2.gz IBFBPLQCJQSHQG-ZDUSSCGKSA-N 2 0 251.374 1.590 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC000636156301 363646310 /nfs/dbraw/zinc/64/63/10/363646310.db2.gz OAQVLXKXQOMWMI-KBPBESRZSA-N 2 0 281.444 1.565 10 0 CDAERP CON1CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000421879956 359487623 /nfs/dbraw/zinc/48/76/23/359487623.db2.gz PSIVOFUZULWDDY-RRFJBIMHSA-N 2 0 267.417 1.475 10 0 CDAERP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2C[C@H]2C2CCCCC2)CC1 ZINC000580435553 359613140 /nfs/dbraw/zinc/61/31/40/359613140.db2.gz AJIYWXORUJEJSU-YESZJQIVSA-N 2 0 295.471 1.153 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CC(=O)Nc1ccc(Cl)cc1 ZINC000422914617 359670808 /nfs/dbraw/zinc/67/08/08/359670808.db2.gz VAMVEZPCQCRVHI-ZDUSSCGKSA-N 2 0 299.802 1.622 10 0 CDAERP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CC[NH2+]1 ZINC000423384015 359785180 /nfs/dbraw/zinc/78/51/80/359785180.db2.gz PSNCTACPOYMDJS-QMIVOQANSA-N 2 0 251.418 1.589 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)Cc2cnc(C)cn2)[C@@H](C)C1 ZINC000229859160 360172656 /nfs/dbraw/zinc/17/26/56/360172656.db2.gz KXNLRJWHUBFFKI-SWLSCSKDSA-N 2 0 262.401 1.947 10 0 CDAERP C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1ccccc1C[NH+](C)C ZINC000335507899 360286336 /nfs/dbraw/zinc/28/63/36/360286336.db2.gz XJXAAFKGIRUXKD-BXUZGUMPSA-N 2 0 261.369 1.310 10 0 CDAERP CC[C@@H](NC[C@H](O)C[NH+](C)C)c1cccc(OC)c1 ZINC000154269377 360331117 /nfs/dbraw/zinc/33/11/17/360331117.db2.gz JMZDABYSOCBHKM-DZGCQCFKSA-N 2 0 266.385 1.658 10 0 CDAERP CN(C(=O)[C@@H]1[NH2+]CCCC1(C)C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000335484877 360346634 /nfs/dbraw/zinc/34/66/34/360346634.db2.gz WIGUQZVIQZCMGA-KBPBESRZSA-N 2 0 279.428 1.460 10 0 CDAERP NC(=O)[C@@H](C[NH2+][C@@H]1CCC[NH2+]CC1)Cc1ccc(F)cc1 ZINC000514847093 360393969 /nfs/dbraw/zinc/39/39/69/360393969.db2.gz DMTPNJVQQONWJT-UKRRQHHQSA-N 2 0 293.386 1.201 10 0 CDAERP [NH3+]C1CCC([NH2+][C@H](c2cnn[nH]2)c2ccc(F)cc2)CC1 ZINC000643503629 360511914 /nfs/dbraw/zinc/51/19/14/360511914.db2.gz OQVVASXSVPCIBF-PIMMBPRGSA-N 2 0 289.358 1.893 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000335894648 296016896 /nfs/dbraw/zinc/01/68/96/296016896.db2.gz PWPMLDGIZIDUMW-GFCCVEGCSA-N 2 0 253.390 1.106 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000626934371 360654348 /nfs/dbraw/zinc/65/43/48/360654348.db2.gz FLCVZPRLEXBQBB-HZSPNIEDSA-N 2 0 282.432 1.301 10 0 CDAERP C[C@@H]1C[N@H+](Cc2cn(C)nc2C(C)(C)C)C[C@@H]1C[NH3+] ZINC000634998210 360635169 /nfs/dbraw/zinc/63/51/69/360635169.db2.gz CFLGESFZYIPTDP-NEPJUHHUSA-N 2 0 264.417 1.744 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000626922298 360641018 /nfs/dbraw/zinc/64/10/18/360641018.db2.gz YPSFRXWLWFQEFG-UONOGXRCSA-N 2 0 296.459 1.691 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000626945847 360688700 /nfs/dbraw/zinc/68/87/00/360688700.db2.gz MQDUCFIDQFVUNW-HLPPOEQASA-N 2 0 296.459 1.547 10 0 CDAERP C[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1CC1(C)C ZINC000423391417 299314255 /nfs/dbraw/zinc/31/42/55/299314255.db2.gz PKAXGYAPHBUFNY-SRVKXCTJSA-N 2 0 293.377 1.847 10 0 CDAERP CC(C)[C@@H]1C[C@@H](C[NH2+]C[C@@H](O)CN(C)C2CC2)CCO1 ZINC000564723189 360777076 /nfs/dbraw/zinc/77/70/76/360777076.db2.gz HSCNCZRRYOCGSP-IMJJTQAJSA-N 2 0 284.444 1.482 10 0 CDAERP C[NH+]1CCC(NC(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000431631602 361024383 /nfs/dbraw/zinc/02/43/83/361024383.db2.gz RYJYZESJDLZZLJ-AWEZNQCLSA-N 2 0 267.417 1.461 10 0 CDAERP CC[C@@H](Cn1cncn1)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000643523679 361053471 /nfs/dbraw/zinc/05/34/71/361053471.db2.gz INKANRBYVXYIIO-HNNXBMFYSA-N 2 0 271.368 1.450 10 0 CDAERP [NH3+]CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000168787513 361471907 /nfs/dbraw/zinc/47/19/07/361471907.db2.gz HSXUYSOPHOURFX-MQVJKMGUSA-N 2 0 287.407 1.647 10 0 CDAERP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)C[C@H]1CC ZINC000168077190 364118468 /nfs/dbraw/zinc/11/84/68/364118468.db2.gz RNVBZKAPJDDOPF-QLFBSQMISA-N 2 0 297.443 1.073 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)C[NH+](C)C2CCC2)CC[N@@H+]1C ZINC000629963967 364280026 /nfs/dbraw/zinc/28/00/26/364280026.db2.gz YUPQDKZGUZTELI-OCCSQVGLSA-N 2 0 267.417 1.412 10 0 CDAERP CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000640955551 364779753 /nfs/dbraw/zinc/77/97/53/364779753.db2.gz YZQUWLKPDVFUCY-MCIONIFRSA-N 2 0 282.432 1.156 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC[NH2+]CC2)[C@H](C)C1 ZINC000641023544 364843514 /nfs/dbraw/zinc/84/35/14/364843514.db2.gz FTFZWVPXOCOGGW-KFWWJZLASA-N 2 0 296.459 1.500 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCN2CCCCC2=O)[C@H]2CCC[C@H]21 ZINC000353500052 365258169 /nfs/dbraw/zinc/25/81/69/365258169.db2.gz VXSZRCZAJNAKJN-OWCLPIDISA-N 2 0 293.455 1.851 10 0 CDAERP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C)[C@H]3CCC[C@H]32)CC[N@@H+]1C ZINC000353530281 365280825 /nfs/dbraw/zinc/28/08/25/365280825.db2.gz LQAULQVZAYSSHA-LJIZCISZSA-N 2 0 265.445 1.932 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCOC[C@@H]2CCOC2)[C@@H]2CCC[C@@H]21 ZINC000353531478 365281276 /nfs/dbraw/zinc/28/12/76/365281276.db2.gz VFZPOLYJNSYSDI-QAETUUGQSA-N 2 0 296.455 1.892 10 0 CDAERP CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)C1 ZINC000641279207 365293375 /nfs/dbraw/zinc/29/33/75/365293375.db2.gz PGHJDYLEARRCBA-MCIONIFRSA-N 2 0 282.432 1.156 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)CS1 ZINC000397798510 366887228 /nfs/dbraw/zinc/88/72/28/366887228.db2.gz UUGMAYQQZQRPBA-UPJWGTAASA-N 2 0 258.431 1.317 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2cn[nH]c2)[C@@H](C)C1 ZINC000353622734 365338871 /nfs/dbraw/zinc/33/88/71/365338871.db2.gz NEDFQOZRCBTEIW-HOCLYGCPSA-N 2 0 294.443 1.679 10 0 CDAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2cn[nH]c2)[C@H](C)C1 ZINC000353622732 365339385 /nfs/dbraw/zinc/33/93/85/365339385.db2.gz NEDFQOZRCBTEIW-GDBMZVCRSA-N 2 0 294.443 1.679 10 0 CDAERP C[C@H]1C[C@H](C[N@@H+]2CCCN(c3cccnn3)CC2)CC[NH2+]1 ZINC000414694277 241329767 /nfs/dbraw/zinc/32/97/67/241329767.db2.gz NANFNIFYSUOEAC-LSDHHAIUSA-N 2 0 289.427 1.377 10 0 CDAERP COc1cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cc2c1OCCO2 ZINC000414826260 367002795 /nfs/dbraw/zinc/00/27/95/367002795.db2.gz FHXJVMCEGKSBQC-LBPRGKRZSA-N 2 0 292.379 1.556 10 0 CDAERP c1cn(-c2csc(C[NH2+]C3CC[NH2+]CC3)c2)cn1 ZINC000414787957 241386933 /nfs/dbraw/zinc/38/69/33/241386933.db2.gz MDWGXDXNSOFQGV-UHFFFAOYSA-N 2 0 262.382 1.775 10 0 CDAERP c1nc(-c2ccccc2)[nH]c1C[NH2+]CCCN1CC[NH2+]CC1 ZINC000414785263 241385926 /nfs/dbraw/zinc/38/59/26/241385926.db2.gz UUGVXTNCAVYTQO-UHFFFAOYSA-N 2 0 299.422 1.462 10 0 CDAERP C[C@@H]1[C@H]([NH2+]CCN2CC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000414859179 241424238 /nfs/dbraw/zinc/42/42/38/241424238.db2.gz AOXYTPUKNQZXOR-USXIJHARSA-N 2 0 273.424 1.673 10 0 CDAERP C[C@]1(C[NH3+])CCN(C(=O)[C@@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000262113177 291379192 /nfs/dbraw/zinc/37/91/92/291379192.db2.gz VUHGRXQHJCSLAA-DZGCQCFKSA-N 2 0 279.359 1.065 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627042176 367293000 /nfs/dbraw/zinc/29/30/00/367293000.db2.gz XFSURKYWDKZIDJ-RWMBFGLXSA-N 2 0 270.421 1.156 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)NC2CC[NH+](C3CCC3)CC2)C[NH2+]1 ZINC000627054797 367311965 /nfs/dbraw/zinc/31/19/65/367311965.db2.gz JERHXBNURWRBBD-OCCSQVGLSA-N 2 0 294.443 1.443 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)NCc2ccc(C[NH3+])cc2F)C[NH2+]1 ZINC000627112532 367462341 /nfs/dbraw/zinc/46/23/41/367462341.db2.gz XUUNAQVNUZONOL-MFKMUULPSA-N 2 0 294.374 1.224 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000416439464 242007383 /nfs/dbraw/zinc/00/73/83/242007383.db2.gz QFGLBWORCHMMLZ-GARJFASQSA-N 2 0 284.429 1.386 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000416822910 242168959 /nfs/dbraw/zinc/16/89/59/242168959.db2.gz GMNKCSKWLGACIS-ZIAGYGMSSA-N 2 0 296.459 1.548 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](c1ccco1)N1CCCC1 ZINC000234724024 367620187 /nfs/dbraw/zinc/62/01/87/367620187.db2.gz UVBNIUYUKWQDEW-HUUCEWRRSA-N 2 0 295.427 1.760 10 0 CDAERP C[C@@H](NC(=O)NCCCC[NH+]1CCC(C)CC1)[C@H](C)[NH3+] ZINC000417019895 242273545 /nfs/dbraw/zinc/27/35/45/242273545.db2.gz FBGFPXBEGMRMNA-UONOGXRCSA-N 2 0 284.448 1.533 10 0 CDAERP CCCN(C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)C1CC[NH2+]CC1 ZINC000627205827 367702865 /nfs/dbraw/zinc/70/28/65/367702865.db2.gz DWIPJRLLVDRJII-OLZOCXBDSA-N 2 0 282.432 1.301 10 0 CDAERP C[C@H]1CC[C@@H](NC(=O)N(CC[NH3+])Cc2ccccc2)C[NH2+]1 ZINC000627207678 367705254 /nfs/dbraw/zinc/70/52/54/367705254.db2.gz RYFFXCXDZCZONZ-DZGCQCFKSA-N 2 0 290.411 1.297 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N2CC[C@H]([NH2+]C)C2)CC1 ZINC000417399714 242455556 /nfs/dbraw/zinc/45/55/56/242455556.db2.gz ZZZVMSOLVHPOPU-AWEZNQCLSA-N 2 0 282.432 1.112 10 0 CDAERP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627243223 367832904 /nfs/dbraw/zinc/83/29/04/367832904.db2.gz DWBFYHNDHMVVMZ-XDQVBPFNSA-N 2 0 280.416 1.005 10 0 CDAERP CCC[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)[NH+](C)C ZINC000125771277 368244703 /nfs/dbraw/zinc/24/47/03/368244703.db2.gz SKMJQKWBTUAFOE-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)NC[C@@H]([NH3+])C(C)C)CC1 ZINC000418401384 243031548 /nfs/dbraw/zinc/03/15/48/243031548.db2.gz IBKIADLGCNAOGK-OAHLLOKOSA-N 2 0 298.475 1.733 10 0 CDAERP CCCC[C@H](C[NH3+])NC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418453182 243096851 /nfs/dbraw/zinc/09/68/51/243096851.db2.gz OXEKZSSKWQTJLN-ZIAGYGMSSA-N 2 0 278.400 1.503 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@@H]([NH3+])C2CC2)cc1 ZINC000418466332 243111443 /nfs/dbraw/zinc/11/14/43/243111443.db2.gz RBOQMTWAGUWNAC-QMTHXVAHSA-N 2 0 276.384 1.243 10 0 CDAERP C[C@@H]1C[C@H]1N1C[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CC1=O ZINC000539261857 368411011 /nfs/dbraw/zinc/41/10/11/368411011.db2.gz YCHHRJDGAGNFCY-DAXOMENPSA-N 2 0 291.439 1.460 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000418581897 243237896 /nfs/dbraw/zinc/23/78/96/243237896.db2.gz VJHOIXPQXKVJDL-KBPBESRZSA-N 2 0 284.448 1.214 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000418581899 243238033 /nfs/dbraw/zinc/23/80/33/243238033.db2.gz VJHOIXPQXKVJDL-UONOGXRCSA-N 2 0 284.448 1.214 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000418575947 243228251 /nfs/dbraw/zinc/22/82/51/243228251.db2.gz NRQJQCQPAGOQAD-HIFRSBDPSA-N 2 0 296.459 1.358 10 0 CDAERP CCCN(CC[NH+]1CCCC1)C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000418736947 243390500 /nfs/dbraw/zinc/39/05/00/243390500.db2.gz YVMUSPVFEPYHQO-CHWSQXEVSA-N 2 0 270.421 1.240 10 0 CDAERP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H](C)[C@@H](C)[NH3+])o1 ZINC000418709060 243362169 /nfs/dbraw/zinc/36/21/69/243362169.db2.gz UQTZOPXNSIVQTB-CHWSQXEVSA-N 2 0 296.415 1.397 10 0 CDAERP CC[N@H+](CCNC(=O)CCN(C)c1cc[nH+]cc1)C1CC1 ZINC000541856026 368688541 /nfs/dbraw/zinc/68/85/41/368688541.db2.gz NZHICUBERBZUHR-UHFFFAOYSA-N 2 0 290.411 1.508 10 0 CDAERP CN(C(=O)C1=CC[C@H]([NH3+])C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638271876 369053410 /nfs/dbraw/zinc/05/34/10/369053410.db2.gz FDHCXYPECIXDMY-IRXDYDNUSA-N 2 0 299.418 1.767 10 0 CDAERP CN(C(=O)C1=CC[C@H]([NH3+])C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638271874 369053700 /nfs/dbraw/zinc/05/37/00/369053700.db2.gz FDHCXYPECIXDMY-DLBZAZTESA-N 2 0 299.418 1.767 10 0 CDAERP O=C([C@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1)N1CCCC1 ZINC000420313595 244070063 /nfs/dbraw/zinc/07/00/63/244070063.db2.gz YDFXCRUJPBFTOC-HOTGVXAUSA-N 2 0 293.455 1.711 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCCC[C@H]2C)CC[N@@H+]1C ZINC000630743187 369958376 /nfs/dbraw/zinc/95/83/76/369958376.db2.gz PCGGBPCULJACQJ-QLFBSQMISA-N 2 0 281.444 1.707 10 0 CDAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H](C)[NH3+] ZINC000248843825 370108863 /nfs/dbraw/zinc/10/88/63/370108863.db2.gz HDLBNUIUYLEODQ-XQQFMLRXSA-N 2 0 253.390 1.199 10 0 CDAERP OC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300408738 370275614 /nfs/dbraw/zinc/27/56/14/370275614.db2.gz MKTWKABFSASWTI-AJNGGQMLSA-N 2 0 252.402 1.754 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+](C)C2CCCC2)C1 ZINC000565183359 370374904 /nfs/dbraw/zinc/37/49/04/370374904.db2.gz WULVYYLXTQYNIK-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP CCC[NH2+]CCNC(=O)NCC1([NH3+])CCCCCC1 ZINC000418285955 370514373 /nfs/dbraw/zinc/51/43/73/370514373.db2.gz QDXKFWQVAQTWPS-UHFFFAOYSA-N 2 0 270.421 1.337 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H]([NH3+])C2CCC2)cc1 ZINC000422541724 245102453 /nfs/dbraw/zinc/10/24/53/245102453.db2.gz OZWTVBNMQDSWQS-HZMBPMFUSA-N 2 0 261.369 1.450 10 0 CDAERP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)C(C)(C)n1cncn1 ZINC000566092444 370606537 /nfs/dbraw/zinc/60/65/37/370606537.db2.gz MXBLROOFWDQKOT-VXGBXAGGSA-N 2 0 251.378 1.133 10 0 CDAERP CC[C@H](Cn1cncn1)[NH2+]CCCCC[NH+]1CCCC1 ZINC000340476633 371085938 /nfs/dbraw/zinc/08/59/38/371085938.db2.gz IYKSJEYQQGXNBW-OAHLLOKOSA-N 2 0 279.432 1.912 10 0 CDAERP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccccc1N1CCOCC1 ZINC000414965767 371099430 /nfs/dbraw/zinc/09/94/30/371099430.db2.gz VXZNKJFNFOZFDU-GOEBONIOSA-N 2 0 289.423 1.611 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000422821077 245299389 /nfs/dbraw/zinc/29/93/89/245299389.db2.gz UHZJAZREUCCHQC-LBPRGKRZSA-N 2 0 296.802 1.831 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CC1CCC(OC)CC1 ZINC000422839584 245320146 /nfs/dbraw/zinc/32/01/46/245320146.db2.gz QTLXLQFQEJTQIY-MOKVOYLWSA-N 2 0 258.406 1.535 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCc1cc(F)ccc1F ZINC000422824081 245302641 /nfs/dbraw/zinc/30/26/41/245302641.db2.gz MUGBAOWFQONXGQ-VZJVUDMVSA-N 2 0 284.350 1.849 10 0 CDAERP COc1ccc(C[C@H](C)[NH2+][C@H]2CCc3nc[nH]c3C2)cn1 ZINC000573070362 371410524 /nfs/dbraw/zinc/41/05/24/371410524.db2.gz NJUXEWVQJUEMLK-AAEUAGOBSA-N 2 0 286.379 1.891 10 0 CDAERP [NH3+]Cc1ccc2c(c1)CCCN2C(=O)C[C@H]1CCC[NH2+]1 ZINC000378187672 371860255 /nfs/dbraw/zinc/86/02/55/371860255.db2.gz OMKJHCHGMBJSLP-CQSZACIVSA-N 2 0 273.380 1.567 10 0 CDAERP CC(C)OC[C@@H](O)C[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000580552888 372017797 /nfs/dbraw/zinc/01/77/97/372017797.db2.gz FOZKJMCRXWFDHD-CABCVRRESA-N 2 0 272.433 1.484 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000578315357 372385081 /nfs/dbraw/zinc/38/50/81/372385081.db2.gz LJEVVITUYUQEBU-NEXFUWMNSA-N 2 0 294.443 1.572 10 0 CDAERP C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)C1=CC[N@H+](C)CC1 ZINC000514668814 372723753 /nfs/dbraw/zinc/72/37/53/372723753.db2.gz NSKDXZYKOFXSRC-PSASIEDQSA-N 2 0 252.280 1.150 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000333349311 205240421 /nfs/dbraw/zinc/24/04/21/205240421.db2.gz JISBGFGXWCFNHT-RRFJBIMHSA-N 2 0 296.459 1.486 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C)C1 ZINC000341015776 373178547 /nfs/dbraw/zinc/17/85/47/373178547.db2.gz MWVXVLWJBFGCAP-UONOGXRCSA-N 2 0 282.432 1.206 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000645684734 373234720 /nfs/dbraw/zinc/23/47/20/373234720.db2.gz DVKWABMUAMLGOT-KGLIPLIRSA-N 2 0 279.359 1.078 10 0 CDAERP C[C@@H]1CN([C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@@]1(C)C[NH3+] ZINC000385482626 373254913 /nfs/dbraw/zinc/25/49/13/373254913.db2.gz GIFOCQFPGMKEHT-KBUPBQIOSA-N 2 0 251.418 1.530 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000341404423 373646712 /nfs/dbraw/zinc/64/67/12/373646712.db2.gz NKDKOLPOQPQRQA-BZUAXINKSA-N 2 0 296.455 1.628 10 0 CDAERP O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000035053939 373788348 /nfs/dbraw/zinc/78/83/48/373788348.db2.gz CTMRHLXADLBDGQ-HNNXBMFYSA-N 2 0 273.380 1.973 10 0 CDAERP FC(F)(F)COCCN1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631887056 374482845 /nfs/dbraw/zinc/48/28/45/374482845.db2.gz LSVUBRYLGLAILX-QWRGUYRKSA-N 2 0 266.307 1.639 10 0 CDAERP C[C@H]1CN(C)C[C@@H]1[NH2+]CCc1nnc2n1CCCCC2 ZINC000343151422 374933076 /nfs/dbraw/zinc/93/30/76/374933076.db2.gz HKTJJLRHSSIKBP-STQMWFEESA-N 2 0 277.416 1.087 10 0 CDAERP CC[C@@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)[NH+](C)C ZINC000130116083 375264036 /nfs/dbraw/zinc/26/40/36/375264036.db2.gz YMWIWMSGQFZAAV-HNNXBMFYSA-N 2 0 281.444 1.661 10 0 CDAERP C[NH2+]C(C)(C)CNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415963348 375489863 /nfs/dbraw/zinc/48/98/63/375489863.db2.gz VJIMPGBWNXCWGG-UHFFFAOYSA-N 2 0 294.374 1.591 10 0 CDAERP O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000417131843 375728017 /nfs/dbraw/zinc/72/80/17/375728017.db2.gz CBWPKSIEOFZNOW-XGUBFFRZSA-N 2 0 292.427 1.149 10 0 CDAERP C[C@@H]1C[C@@H](N2C[C@H]([NH3+])C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000306602313 375776300 /nfs/dbraw/zinc/77/63/00/375776300.db2.gz VVODOQIEHXILQS-SNPRPXQTSA-N 2 0 273.380 1.209 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@H]1COc2cc(F)cc(F)c21 ZINC000643480644 376023155 /nfs/dbraw/zinc/02/31/55/376023155.db2.gz KKBZRHSKCSBEHV-PWSUYJOCSA-N 2 0 286.322 1.742 10 0 CDAERP Cc1cc(N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)nc(C2CC2)n1 ZINC000419007297 376081375 /nfs/dbraw/zinc/08/13/75/376081375.db2.gz RIYDTFUQFHVOPV-QWHCGFSZSA-N 2 0 290.411 1.554 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)N2CC[C@H]([NH3+])[C@@H]2C)CC1 ZINC000417394153 376349089 /nfs/dbraw/zinc/34/90/89/376349089.db2.gz PODMUQFVDRKJSK-JSGCOSHPSA-N 2 0 282.432 1.382 10 0 CDAERP C[C@@H]1CCCN1C(=O)CC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000334617322 376564282 /nfs/dbraw/zinc/56/42/82/376564282.db2.gz XOCDDTKOSNWQIY-ZBFHGGJFSA-N 2 0 279.428 1.415 10 0 CDAERP C[NH2+]CC1CC[NH+](Cc2ccc3oc(=O)n(C)c3c2)CC1 ZINC000631822320 376645559 /nfs/dbraw/zinc/64/55/59/376645559.db2.gz ZHPPXAJNEUAJON-UHFFFAOYSA-N 2 0 289.379 1.563 10 0 CDAERP Cc1c(-c2cc(C[N@@H+]3C[C@@H](C[NH3+])[C@H](C)C3)on2)cnn1C ZINC000631837217 376684132 /nfs/dbraw/zinc/68/41/32/376684132.db2.gz PDSARTIEFXLDTD-ZYHUDNBSSA-N 2 0 289.383 1.410 10 0 CDAERP CC[N@H+](CCNC(=O)N[C@@H]1C[NH+](C(C)C)C[C@H]1C)C1CC1 ZINC000247070402 377043765 /nfs/dbraw/zinc/04/37/65/377043765.db2.gz IVHXNANKVAWLEP-UKRRQHHQSA-N 2 0 296.459 1.499 10 0 CDAERP CC[N@H+](CCNC(=O)N[C@H]1CC[NH2+]C[C@@H]1C)C(C)C ZINC000417468430 377373017 /nfs/dbraw/zinc/37/30/17/377373017.db2.gz XXCMOYFUCWUVSW-STQMWFEESA-N 2 0 270.421 1.014 10 0 CDAERP O[C@H](CC1CCCC1)C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000249097125 377395963 /nfs/dbraw/zinc/39/59/63/377395963.db2.gz OVTVKPDVVFOMHE-DLBZAZTESA-N 2 0 296.455 1.582 10 0 CDAERP C[C@@]1(CNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)CCC[NH2+]C1 ZINC000334939498 377716398 /nfs/dbraw/zinc/71/63/98/377716398.db2.gz HCIOXQPIJUWADH-GOEBONIOSA-N 2 0 292.427 1.032 10 0 CDAERP C[C@@H](C(=O)NC(C)(C)C)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000334980844 377750062 /nfs/dbraw/zinc/75/00/62/377750062.db2.gz OIFMNRKAVGLKER-SWLSCSKDSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000417527147 377861888 /nfs/dbraw/zinc/86/18/88/377861888.db2.gz DFJIWICQTFLIHU-MJBXVCDLSA-N 2 0 282.432 1.240 10 0 CDAERP CCOC[C@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000078699251 377852313 /nfs/dbraw/zinc/85/23/13/377852313.db2.gz RSJSLXSUQLFPLP-IAGOWNOFSA-N 2 0 298.471 1.972 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000417541117 377936033 /nfs/dbraw/zinc/93/60/33/377936033.db2.gz XZAFTVAKETZHMT-SCRDCRAPSA-N 2 0 282.432 1.286 10 0 CDAERP CC(C)CC[NH+]1CCC(CNC(=O)CC[C@H](C)[NH3+])CC1 ZINC000193322437 378274554 /nfs/dbraw/zinc/27/45/54/378274554.db2.gz OPNYHURVUCAVIG-AWEZNQCLSA-N 2 0 283.460 1.988 10 0 CDAERP [NH3+][C@H]1CCC[C@@H](C(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000262181444 295335262 /nfs/dbraw/zinc/33/52/62/295335262.db2.gz ITDOSHGOCAGQNE-OLZOCXBDSA-N 2 0 265.401 1.201 10 0 CDAERP Cc1nc(F)ccc1C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000278541689 194035127 /nfs/dbraw/zinc/03/51/27/194035127.db2.gz TYJDNXMKVXVIPW-HNNXBMFYSA-N 2 0 295.402 1.856 10 0 CDAERP CC[C@@H]1C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)CO1 ZINC000657572618 412905323 /nfs/dbraw/zinc/90/53/23/412905323.db2.gz DAAWTDXKKAZHGF-RRFJBIMHSA-N 2 0 271.449 1.416 10 0 CDAERP C[C@H](CCC(F)(F)F)[NH2+]CCOCC[NH+](C)C ZINC000447594334 250391822 /nfs/dbraw/zinc/39/18/22/250391822.db2.gz YGEQJISPBAYTJB-SNVBAGLBSA-N 2 0 256.312 1.885 10 0 CDAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCOC3)cc2)C1 ZINC000657595280 412921481 /nfs/dbraw/zinc/92/14/81/412921481.db2.gz NWKYHDNXSWTFFN-HZPDHXFCSA-N 2 0 276.380 1.132 10 0 CDAERP COC[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657596612 412925866 /nfs/dbraw/zinc/92/58/66/412925866.db2.gz PACMKAOWGAMROB-BBRMVZONSA-N 2 0 278.396 1.378 10 0 CDAERP CCCN(CCC[NH+](C)C)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655929774 412939285 /nfs/dbraw/zinc/93/92/85/412939285.db2.gz WZQJLQJQUANHRS-JTQLQIEISA-N 2 0 298.353 1.249 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1cccnc1OC(C)C ZINC000234732857 483147296 /nfs/dbraw/zinc/14/72/96/483147296.db2.gz RBWRBJROLFVICQ-CQSZACIVSA-N 2 0 281.400 1.712 10 0 CDAERP C[N@H+](CCOCC[NH3+])Cc1ccc2c(c1)OC(F)(F)O2 ZINC000655949528 412961391 /nfs/dbraw/zinc/96/13/91/412961391.db2.gz WWTFLQIKOHDCIG-UHFFFAOYSA-N 2 0 288.294 1.415 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000655970629 412982937 /nfs/dbraw/zinc/98/29/37/412982937.db2.gz WARKAFWKVULFPM-BTFPBAQTSA-N 2 0 294.443 1.014 10 0 CDAERP CCCC[C@H](C[NH3+])NC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662427842 413006917 /nfs/dbraw/zinc/00/69/17/413006917.db2.gz CJPHJPQCPSILHK-SECBINFHSA-N 2 0 268.361 1.116 10 0 CDAERP C[NH+](C)CCCOc1cnccc1C[NH2+]CC1(C)COC1 ZINC000288596404 197122560 /nfs/dbraw/zinc/12/25/60/197122560.db2.gz PELGMANIJCSEMQ-UHFFFAOYSA-N 2 0 293.411 1.538 10 0 CDAERP CC(C)([NH3+])CCC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000648137618 390171185 /nfs/dbraw/zinc/17/11/85/390171185.db2.gz WGUATLMJYAEHKB-AWEZNQCLSA-N 2 0 253.390 1.106 10 0 CDAERP CC[C@H](CO)[N@H+](C)C[C@@H](O)CN(C)Cc1ccccc1 ZINC000647026128 390364632 /nfs/dbraw/zinc/36/46/32/390364632.db2.gz QCXLJNQCTDEUKE-CVEARBPZSA-N 2 0 280.412 1.182 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000070597818 390412367 /nfs/dbraw/zinc/41/23/67/390412367.db2.gz LXNVNWCILLWJFX-QWHCGFSZSA-N 2 0 267.417 1.493 10 0 CDAERP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)o1 ZINC000647084904 390394831 /nfs/dbraw/zinc/39/48/31/390394831.db2.gz OIGRTSJGBMUNFQ-YPMHNXCESA-N 2 0 279.384 1.541 10 0 CDAERP O=C(N[C@@H]1CC[NH2+]C12CCCC2)[C@@H]1CC12CC[NH2+]CC2 ZINC000648209863 390952529 /nfs/dbraw/zinc/95/25/29/390952529.db2.gz DKDUKPBPTSREFN-QWHCGFSZSA-N 2 0 277.412 1.167 10 0 CDAERP CC1CC[NH+](CC(=O)N[C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000648210052 390952644 /nfs/dbraw/zinc/95/26/44/390952644.db2.gz ISERGCBCJUZPNO-CQSZACIVSA-N 2 0 279.428 1.509 10 0 CDAERP [NH3+]C[C@H]1C[N@H+](CCCCOc2ccccc2)CCCO1 ZINC000415107163 391024205 /nfs/dbraw/zinc/02/42/05/391024205.db2.gz KOFUXWJVJYVACB-INIZCTEOSA-N 2 0 278.396 1.895 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000417751909 391026502 /nfs/dbraw/zinc/02/65/02/391026502.db2.gz PYASKEZVCAAVOO-KGLIPLIRSA-N 2 0 296.459 1.500 10 0 CDAERP COC[C@H](C)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647542856 390984344 /nfs/dbraw/zinc/98/43/44/390984344.db2.gz CTIYTCRVYRQXCQ-RBSFLKMASA-N 2 0 254.418 1.981 10 0 CDAERP Fc1cccn2cc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)nc12 ZINC000647544572 390985658 /nfs/dbraw/zinc/98/56/58/390985658.db2.gz ZFUNOZAJXDPACU-BETUJISGSA-N 2 0 288.370 1.905 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000105234034 390999705 /nfs/dbraw/zinc/99/97/05/390999705.db2.gz SJTJSOQLHSDNSC-LSDHHAIUSA-N 2 0 296.459 1.596 10 0 CDAERP CC(C)C[C@H]([NH3+])C[NH2+]CCc1ccc2c(c1)OCCO2 ZINC000415087982 391007996 /nfs/dbraw/zinc/00/79/96/391007996.db2.gz UKMYUJZBIZVAQO-AWEZNQCLSA-N 2 0 278.396 1.963 10 0 CDAERP CCC[NH+]1CCC(NC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000417753739 391034909 /nfs/dbraw/zinc/03/49/09/391034909.db2.gz UPTSBAYGHSWIKZ-JSGCOSHPSA-N 2 0 282.432 1.158 10 0 CDAERP CCC(O)(CC)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000368608456 391036835 /nfs/dbraw/zinc/03/68/35/391036835.db2.gz OYQAZCSAQRKDJQ-BFHYXJOUSA-N 2 0 254.418 2.000 10 0 CDAERP CC(C)C[C@@H](C[NH3+])NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000417782260 391063083 /nfs/dbraw/zinc/06/30/83/391063083.db2.gz FWXAHTPQKOPQJA-WIGRTHMWSA-N 2 0 296.459 1.674 10 0 CDAERP Cc1nnc(CN2CCC[C@@H](c3ncc[nH]3)C2)n1C ZINC000407950683 391086953 /nfs/dbraw/zinc/08/69/53/391086953.db2.gz GGJNIWIYOASXRS-LLVKDONJSA-N 2 0 260.345 1.226 10 0 CDAERP COC[C@](C)(CCO)[NH2+]CCCC1CC[NH2+]CC1 ZINC000647892199 391170808 /nfs/dbraw/zinc/17/08/08/391170808.db2.gz AZGZZZFEYYHZOI-AWEZNQCLSA-N 2 0 258.406 1.143 10 0 CDAERP C(C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000647902720 391200199 /nfs/dbraw/zinc/20/01/99/391200199.db2.gz BMZRUOLKRFEEHO-NCOADZHNSA-N 2 0 293.455 1.314 10 0 CDAERP C[NH+](C)CCN(CC1CCCCC1)C(=O)NCCC[NH3+] ZINC000418314030 391301292 /nfs/dbraw/zinc/30/12/92/391301292.db2.gz RNJMIAFWWHUXIM-UHFFFAOYSA-N 2 0 284.448 1.489 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[C@@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000418344521 391349613 /nfs/dbraw/zinc/34/96/13/391349613.db2.gz SAAWAVVLCAQCNJ-KKUMJFAQSA-N 2 0 296.459 1.358 10 0 CDAERP CC1=CC[N@H+](CCNC(=O)N(C)CC[C@@H]([NH3+])C(C)C)CC1 ZINC000418033922 391351770 /nfs/dbraw/zinc/35/17/70/391351770.db2.gz WOZJWZCZMJSBLV-OAHLLOKOSA-N 2 0 296.459 1.653 10 0 CDAERP CCC([NH3+])(CC)CNC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000418033872 391352062 /nfs/dbraw/zinc/35/20/62/391352062.db2.gz WGXUDNFEKUDGOQ-UHFFFAOYSA-N 2 0 282.432 1.455 10 0 CDAERP CC(C)N1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CC1=O ZINC000353611621 391397176 /nfs/dbraw/zinc/39/71/76/391397176.db2.gz DHEFFBNCQONJDM-KBUPBQIOSA-N 2 0 279.428 1.458 10 0 CDAERP CS[C@H]1CC[C@H]1[NH2+]CCCC[NH+]1CCOCC1 ZINC000425364342 391486298 /nfs/dbraw/zinc/48/62/98/391486298.db2.gz ZBTGMCPURBHMDS-OLZOCXBDSA-N 2 0 258.431 1.582 10 0 CDAERP O=C1NCCC[C@H]1[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000411501633 391463668 /nfs/dbraw/zinc/46/36/68/391463668.db2.gz HXRVDVBZUQKIKC-OAHLLOKOSA-N 2 0 290.411 1.654 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@H]1CC(N)=O ZINC000348088786 391415662 /nfs/dbraw/zinc/41/56/62/391415662.db2.gz YSYQVRNTENADGO-OLZOCXBDSA-N 2 0 253.390 1.201 10 0 CDAERP CO[C@H](CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C(F)(F)F ZINC000647794717 391640188 /nfs/dbraw/zinc/64/01/88/391640188.db2.gz BPDBUNXLJMEXFD-IRCOFANPSA-N 2 0 280.334 1.932 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000417580139 391681433 /nfs/dbraw/zinc/68/14/33/391681433.db2.gz CNHBYERGMJYAIM-CABCVRRESA-N 2 0 294.443 1.397 10 0 CDAERP CC[C@H]([NH3+])CNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000417659604 391724842 /nfs/dbraw/zinc/72/48/42/391724842.db2.gz LGTCQACQWIFNQJ-ZDUSSCGKSA-N 2 0 296.390 1.424 10 0 CDAERP Cc1cc(C)n2c(C[NH2+][C@H](C)CCC[NH3+])cnc2n1 ZINC000415027965 391729426 /nfs/dbraw/zinc/72/94/26/391729426.db2.gz XNRGDAYMHUAIKT-SNVBAGLBSA-N 2 0 261.373 1.563 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000417706899 391767178 /nfs/dbraw/zinc/76/71/78/391767178.db2.gz UOMKVAHDDHHNHB-KFWWJZLASA-N 2 0 296.459 1.548 10 0 CDAERP [NH3+]C1(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CCC1 ZINC000649319037 392007772 /nfs/dbraw/zinc/00/77/72/392007772.db2.gz CNOJPMXBCQNTMO-UHFFFAOYSA-N 2 0 257.297 1.087 10 0 CDAERP CC(C)([NH3+])CCC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000649319047 392009669 /nfs/dbraw/zinc/00/96/69/392009669.db2.gz DAWYSOVIHXUSCI-UHFFFAOYSA-N 2 0 273.340 1.723 10 0 CDAERP C[C@H]1CC[NH2+][C@@H](C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000649319228 392011257 /nfs/dbraw/zinc/01/12/57/392011257.db2.gz PUIKMJLXMAAFGF-SMDDNHRTSA-N 2 0 285.351 1.594 10 0 CDAERP C[C@@H]1C[C@@H](NCc2ccc3c[nH+]cn3c2)CC[N@@H+]1C ZINC000334865390 391969106 /nfs/dbraw/zinc/96/91/06/391969106.db2.gz ANQHGARNZIIWTP-OCCSQVGLSA-N 2 0 258.369 1.907 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCCC[C@H]2C[NH+](C)C)CC[NH2+]1 ZINC000567895981 391976229 /nfs/dbraw/zinc/97/62/29/391976229.db2.gz HJLYWXISJZNQJI-IHRRRGAJSA-N 2 0 267.417 1.317 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000649322805 392021416 /nfs/dbraw/zinc/02/14/16/392021416.db2.gz NBTZCDOGKTYVHA-UONOGXRCSA-N 2 0 279.428 1.365 10 0 CDAERP CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000453316946 392029329 /nfs/dbraw/zinc/02/93/29/392029329.db2.gz KINAZCPRLTZAMR-YIDVYQOGSA-N 2 0 282.428 1.500 10 0 CDAERP Cc1cc([C@H]2CCC[N@H+](C[C@]3(C)CC[NH2+]C3)C2)[nH]n1 ZINC000261998017 392029900 /nfs/dbraw/zinc/02/99/00/392029900.db2.gz KYRMNAAMZUTFPC-DZGCQCFKSA-N 2 0 262.401 1.897 10 0 CDAERP [NH3+][C@H]1CCC[C@H](C(=O)N2CCC[N@@H+](C3CCCC3)CC2)C1 ZINC000262313816 392040280 /nfs/dbraw/zinc/04/02/80/392040280.db2.gz TYCCUEKRIFQESC-GJZGRUSLSA-N 2 0 293.455 1.981 10 0 CDAERP Cc1cnn(CC[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000336785281 392058726 /nfs/dbraw/zinc/05/87/26/392058726.db2.gz CKXQBZURQCDNBX-CQSZACIVSA-N 2 0 250.390 1.465 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)NC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000646188402 392140357 /nfs/dbraw/zinc/14/03/57/392140357.db2.gz ZHSKLCLJTRGYMI-XDQVBPFNSA-N 2 0 284.448 1.674 10 0 CDAERP CCN(C)C(=O)CC[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000431398174 392194023 /nfs/dbraw/zinc/19/40/23/392194023.db2.gz VRYQDGCCDDRLNI-UHFFFAOYSA-N 2 0 283.460 1.909 10 0 CDAERP CO[C@H](CC[NH2+][C@H]1CCC[C@H]1C[NH3+])C(F)(F)F ZINC000423075499 392320963 /nfs/dbraw/zinc/32/09/63/392320963.db2.gz XCWPYRDAEGFPBM-LPEHRKFASA-N 2 0 254.296 1.671 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000423051729 392301178 /nfs/dbraw/zinc/30/11/78/392301178.db2.gz OYBUFQUYMZDIHZ-NWDGAFQWSA-N 2 0 296.390 1.273 10 0 CDAERP CC[NH+](CC)[C@H](C)CN[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423085349 392331426 /nfs/dbraw/zinc/33/14/26/392331426.db2.gz KGVCBQYCDJOVOV-SNPRPXQTSA-N 2 0 269.433 1.073 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000423103648 392346017 /nfs/dbraw/zinc/34/60/17/392346017.db2.gz XSGUFIGIACBMCX-ZOBORPQBSA-N 2 0 268.401 1.825 10 0 CDAERP CC(C)C[C@H]([NH2+]C[C@H]1C[C@H]1C)C(=O)NCC[NH+](C)C ZINC000488427828 392355971 /nfs/dbraw/zinc/35/59/71/392355971.db2.gz GWZJQMZTVHWPNZ-MCIONIFRSA-N 2 0 269.433 1.325 10 0 CDAERP CCOC(=O)C1([C@@H](C)[NH2+]CC[C@H](C)F)CC[NH2+]CC1 ZINC000423136602 392375588 /nfs/dbraw/zinc/37/55/88/392375588.db2.gz PPLQWHMCHXJIIC-NWDGAFQWSA-N 2 0 274.380 1.646 10 0 CDAERP CCOC(=O)C1([C@@H](C)[NH2+]CCCCF)CC[NH2+]CC1 ZINC000423140260 392379411 /nfs/dbraw/zinc/37/94/11/392379411.db2.gz MDZNMSOXFUARQN-GFCCVEGCSA-N 2 0 274.380 1.647 10 0 CDAERP Cc1cncn1CC(=O)Nc1nc(CN(C)C)cs1 ZINC000529474316 392440154 /nfs/dbraw/zinc/44/01/54/392440154.db2.gz KTJFRKXROKYTDM-UHFFFAOYSA-N 2 0 279.369 1.348 10 0 CDAERP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H]2C[C@H]2C2CC2)CC[NH2+]CC1 ZINC000423159301 392398226 /nfs/dbraw/zinc/39/82/26/392398226.db2.gz FQXWOHSEUMNSGF-SNPRPXQTSA-N 2 0 294.439 1.944 10 0 CDAERP C[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)[C@@H]1CCC[NH2+]C1 ZINC000574148835 392527779 /nfs/dbraw/zinc/52/77/79/392527779.db2.gz FTQHHMIRMBDIOU-DGCLKSJQSA-N 2 0 262.353 1.893 10 0 CDAERP [NH3+]C[C@H](C(=O)N1CC2CCC1(C[NH3+])CC2)c1ccccc1 ZINC000573975894 392481958 /nfs/dbraw/zinc/48/19/58/392481958.db2.gz DEHUTKKOKKMEML-GULBITTBSA-N 2 0 287.407 1.459 10 0 CDAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NCC2C[NH2+]C2)C3)cc1 ZINC000423303165 392498719 /nfs/dbraw/zinc/49/87/19/392498719.db2.gz LECHJZOOQQCPKX-BCDXTJNWSA-N 2 0 285.435 1.991 10 0 CDAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC1C[NH2+]C1 ZINC000423304928 392500616 /nfs/dbraw/zinc/50/06/16/392500616.db2.gz PXDGOUBCFQXNRK-YOEHRIQHSA-N 2 0 273.424 1.706 10 0 CDAERP C[C@@H]1CSC[C@H]1[NH2+]CCCC[NH+]1CCOCC1 ZINC000449084177 392634349 /nfs/dbraw/zinc/63/43/49/392634349.db2.gz WQHDXYOPNPQTSX-CHWSQXEVSA-N 2 0 258.431 1.440 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CC2(C(=O)OC)CC2)C[C@H]1C ZINC000450469349 392938234 /nfs/dbraw/zinc/93/82/34/392938234.db2.gz QYGDBNCTJKOSFK-OLZOCXBDSA-N 2 0 268.401 1.744 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN[C@@H](C[NH3+])C1CC1 ZINC000521983267 393138638 /nfs/dbraw/zinc/13/86/38/393138638.db2.gz MGTFSANNWARRAM-HNNXBMFYSA-N 2 0 271.368 1.403 10 0 CDAERP C[C@@H]1CC[C@](CO)([N@H+](C)CC[C@H]2CCC[NH+]2C)C1 ZINC000495211258 393208733 /nfs/dbraw/zinc/20/87/33/393208733.db2.gz IAQGISGMZFIOHH-KFWWJZLASA-N 2 0 254.418 1.954 10 0 CDAERP C[C@H](C[NH2+][C@@H](C)C(C)(C)C(F)F)N1CC[NH+](C)CC1 ZINC000657873009 413066151 /nfs/dbraw/zinc/06/61/51/413066151.db2.gz QTNXYUJNCTUVGA-NEPJUHHUSA-N 2 0 277.403 1.892 10 0 CDAERP O=C(C[C@H]1CC[NH2+]C1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000662505134 413076371 /nfs/dbraw/zinc/07/63/71/413076371.db2.gz GKMQUTLYSHFGCR-IIAWOOMASA-N 2 0 291.439 1.461 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCNC(=O)c1ccc(C)cc1 ZINC000234784505 140231340 /nfs/dbraw/zinc/23/13/40/140231340.db2.gz UQGVBOGCEWZIRG-HNNXBMFYSA-N 2 0 293.411 1.068 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CC2=CCCOC2)[C@@H](C)C1 ZINC000245716380 140276392 /nfs/dbraw/zinc/27/63/92/140276392.db2.gz HBTRXSDNQLJHOK-ZFWWWQNUSA-N 2 0 252.402 1.995 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000250108948 140301812 /nfs/dbraw/zinc/30/18/12/140301812.db2.gz SOPCPRIJGHETIF-BNOWGMLFSA-N 2 0 261.369 1.191 10 0 CDAERP C[C@H]([NH2+][C@H]1CCC[C@H]1C[NH3+])c1ccc(S(N)(=O)=O)cc1 ZINC000252678364 140323286 /nfs/dbraw/zinc/32/32/86/140323286.db2.gz HHSDUIJNDBSAGQ-JKOKRWQUSA-N 2 0 297.424 1.112 10 0 CDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000261539201 140344198 /nfs/dbraw/zinc/34/41/98/140344198.db2.gz BUROCNLNFHBISM-VNQPRFMTSA-N 2 0 289.423 1.751 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1CC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000261645739 140368960 /nfs/dbraw/zinc/36/89/60/140368960.db2.gz DBPFRJSOJLBFAN-ARFHVFGLSA-N 2 0 293.455 1.885 10 0 CDAERP Cc1cc([C@H]2CCC[N@H+](CC3CC[NH2+]CC3)C2)n[nH]1 ZINC000261663757 140372508 /nfs/dbraw/zinc/37/25/08/140372508.db2.gz HCASSPUVPAWURY-AWEZNQCLSA-N 2 0 262.401 1.897 10 0 CDAERP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000097092335 147120489 /nfs/dbraw/zinc/12/04/89/147120489.db2.gz MNACTEKQUQINOY-MJBXVCDLSA-N 2 0 269.433 1.741 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN[C@H](C[NH3+])C(F)(F)F ZINC000656193987 413087246 /nfs/dbraw/zinc/08/72/46/413087246.db2.gz AVMOEWCHKCSYSM-GFCCVEGCSA-N 2 0 299.300 1.555 10 0 CDAERP C[C@H](C[NH2+][C@H]1CCC[C@H]1C[NH3+])N1C[C@@H](C)O[C@@H](C)C1 ZINC000656201718 413101102 /nfs/dbraw/zinc/10/11/02/413101102.db2.gz XYWYJXUTJXXNHA-MRLBHPIUSA-N 2 0 269.433 1.201 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000656201816 413102294 /nfs/dbraw/zinc/10/22/94/413102294.db2.gz ZSTXRAUTPXVQNK-QMIVOQANSA-N 3 0 251.418 1.304 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000662592228 413162055 /nfs/dbraw/zinc/16/20/55/413162055.db2.gz IFDWPYMZBSWWNR-UPJWGTAASA-N 2 0 267.417 1.350 10 0 CDAERP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)[C@H]1CCOC1 ZINC000658073596 413174014 /nfs/dbraw/zinc/17/40/14/413174014.db2.gz YGNIRSCQZIWAFP-AALSBFMBSA-N 2 0 282.428 1.500 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC000649561735 397830383 /nfs/dbraw/zinc/83/03/83/397830383.db2.gz HWDAOCQUABGVID-KFWWJZLASA-N 2 0 253.434 1.743 10 0 CDAERP C[N@H+](CCOCC[NH3+])C[C@@H]1CCCCC1(F)F ZINC000381568873 398111769 /nfs/dbraw/zinc/11/17/69/398111769.db2.gz YCGAFUJGUXGDCN-NSHDSACASA-N 2 0 250.333 1.719 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C)C[C@H]1C ZINC000414934557 285878534 /nfs/dbraw/zinc/87/85/34/285878534.db2.gz FERBCBITHWXTOM-GZBLMMOJSA-N 2 0 282.428 1.942 10 0 CDAERP COC[C@@H](CC[NH2+][C@@H](C)C1CC[NH+](C)CC1)OC ZINC000658083730 413184111 /nfs/dbraw/zinc/18/41/11/413184111.db2.gz BABIEMIDJRKLTL-GXTWGEPZSA-N 2 0 258.406 1.358 10 0 CDAERP C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ncnc21)C1CC[NH+](C)CC1 ZINC000658097511 413193550 /nfs/dbraw/zinc/19/35/50/413193550.db2.gz IMJPZLHKDYSZCW-NTZNESFSSA-N 2 0 263.389 1.604 10 0 CDAERP CCCCC[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001663942431 1172791885 /nfs/dbraw/zinc/79/18/85/1172791885.db2.gz UCVQPDWXSHXCBA-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[C@H](C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1)[NH+](C)C ZINC000153957058 289188754 /nfs/dbraw/zinc/18/87/54/289188754.db2.gz AICVTXMLXJELEN-HUUCEWRRSA-N 2 0 283.460 1.811 10 0 CDAERP CO[C@@H](C)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000182157252 148243907 /nfs/dbraw/zinc/24/39/07/148243907.db2.gz HCHCWJXGKPVIFA-GJZGRUSLSA-N 2 0 269.433 1.123 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261878395 297098206 /nfs/dbraw/zinc/09/82/06/297098206.db2.gz YRTJQIHIXSEAEQ-ZOBORPQBSA-N 2 0 265.401 1.199 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000185170429 148391065 /nfs/dbraw/zinc/39/10/65/148391065.db2.gz XEMNWJARXDQWAU-AWEZNQCLSA-N 2 0 298.475 1.698 10 0 CDAERP C[C@H](C(=O)N1CC[C@H]([NH3+])C(C)(C)C1)[C@H]([NH3+])c1ccccc1 ZINC000262091795 149014226 /nfs/dbraw/zinc/01/42/26/149014226.db2.gz UNEPCLGLRMGNTK-QEJZJMRPSA-N 2 0 289.423 1.908 10 0 CDAERP CN(CC[NH2+]CC1CC1)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001664240206 1172829898 /nfs/dbraw/zinc/82/98/98/1172829898.db2.gz DYXWNCJSLNODRQ-HUUCEWRRSA-N 2 0 279.428 1.461 10 0 CDAERP C[NH+]1CCC(CCNC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000334892891 150043784 /nfs/dbraw/zinc/04/37/84/150043784.db2.gz QLNVUMVSSSNOCX-CABCVRRESA-N 2 0 294.443 1.112 10 0 CDAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NC1CCC([NH+](C)C)CC1 ZINC000335003701 150172960 /nfs/dbraw/zinc/17/29/60/150172960.db2.gz DADCYOWUQSSZMZ-ABXWRUBCSA-N 2 0 282.432 1.156 10 0 CDAERP C[C@@H]1CN(C(=O)c2ccc(C[NH3+])cc2)C[C@@]1(C)C[NH3+] ZINC000335303671 150519326 /nfs/dbraw/zinc/51/93/26/150519326.db2.gz KXLDAOOYVMQPCS-IAQYHMDHSA-N 2 0 261.369 1.202 10 0 CDAERP CC[NH+]1CCC(CNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000654418963 413260683 /nfs/dbraw/zinc/26/06/83/413260683.db2.gz CKGVKQKNHYLMBC-GASCZTMLSA-N 2 0 296.459 1.358 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](CCO)C(C)C ZINC000346142181 153068895 /nfs/dbraw/zinc/06/88/95/153068895.db2.gz OUHUWCYVFFPEEU-UHFFFAOYSA-N 2 0 274.368 1.778 10 0 CDAERP C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000346604794 153241747 /nfs/dbraw/zinc/24/17/47/153241747.db2.gz DCRHEKOCVCLMKO-CJNGLKHVSA-N 2 0 293.455 1.898 10 0 CDAERP c1cc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)nc(C2CC2)n1 ZINC000346754611 153294229 /nfs/dbraw/zinc/29/42/29/153294229.db2.gz WQJGOPHMZRVVRP-CHWSQXEVSA-N 2 0 258.369 1.815 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cocn1 ZINC000349062745 154043112 /nfs/dbraw/zinc/04/31/12/154043112.db2.gz NWNUXWZCJGKWNF-HNNXBMFYSA-N 2 0 280.416 1.523 10 0 CDAERP C[NH+](C)CCOc1cccc(CNC(=O)CC2([NH3+])CC2)c1 ZINC000662676495 413294021 /nfs/dbraw/zinc/29/40/21/413294021.db2.gz XKOYRLIKWBYKQH-UHFFFAOYSA-N 2 0 291.395 1.125 10 0 CDAERP C[NH+](C)C1(CNC(=O)[C@@H]2CCC[C@H]2C[NH3+])CCCC1 ZINC000125736442 413301936 /nfs/dbraw/zinc/30/19/36/413301936.db2.gz YSBDFIZNFMSQBY-QWHCGFSZSA-N 2 0 267.417 1.352 10 0 CDAERP C[C@H](NC(=O)N1CC[NH+]2CCC1CC2)C(C)(C)C[NH+](C)C ZINC000375227368 160355084 /nfs/dbraw/zinc/35/50/84/160355084.db2.gz FWUKGROHBYREFL-ZDUSSCGKSA-N 2 0 296.459 1.452 10 0 CDAERP CC[NH+](CC)CCCCNC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662683396 413307665 /nfs/dbraw/zinc/30/76/65/413307665.db2.gz NOYJOVSTUVRNNV-UHFFFAOYSA-N 2 0 296.415 1.720 10 0 CDAERP CCC[N@H+](C)CC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000662686983 413312003 /nfs/dbraw/zinc/31/20/03/413312003.db2.gz SOLILPUHGKVVDB-OAHLLOKOSA-N 2 0 291.395 1.628 10 0 CDAERP C[C@@H](CNC(=O)N(C)CC1C[NH+](C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000660641843 413318160 /nfs/dbraw/zinc/31/81/60/413318160.db2.gz KUARRKQVQYPYJA-KGLIPLIRSA-N 2 0 296.459 1.310 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@H](O)C2)[C@@H]2CCC[C@@H]21 ZINC000353685553 156012488 /nfs/dbraw/zinc/01/24/88/156012488.db2.gz ISWHQQRIODYXKL-QTVXIADOSA-N 2 0 252.402 1.610 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCCC[NH+]1CCOCC1 ZINC000354264758 156357434 /nfs/dbraw/zinc/35/74/34/156357434.db2.gz GYVVLDGKKJSTMD-OAHLLOKOSA-N 2 0 297.443 1.089 10 0 CDAERP CC[C@@H]1C[C@H](C[NH2+]CC2(O)CC[NH+](C)CC2)CCO1 ZINC000355674690 157179234 /nfs/dbraw/zinc/17/92/34/157179234.db2.gz RCHMPBDYRBYXML-ZIAGYGMSSA-N 2 0 270.417 1.238 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC000362894922 159264207 /nfs/dbraw/zinc/26/42/07/159264207.db2.gz GGODMHJYJRLTOA-MRXNPFEDSA-N 2 0 295.471 1.812 10 0 CDAERP [NH3+]C1(CC(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000662747327 413423138 /nfs/dbraw/zinc/42/31/38/413423138.db2.gz SMWIUKRYHQFFSD-UHFFFAOYSA-N 2 0 279.428 1.781 10 0 CDAERP C[C@@H]([NH2+]CCC[NH3+])c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423183216 287024115 /nfs/dbraw/zinc/02/41/15/287024115.db2.gz HJJZCJHMYMYNJL-SNVBAGLBSA-N 2 0 261.369 1.916 10 0 CDAERP CCC[NH+]1CCC(C[NH3+])(N2CCC(C)CC2)CC1 ZINC000019509251 170819412 /nfs/dbraw/zinc/81/94/12/170819412.db2.gz DCAOQGAMHYBXDC-UHFFFAOYSA-N 2 0 253.434 1.922 10 0 CDAERP CCC[NH+]1CCN([C@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000020179596 171044460 /nfs/dbraw/zinc/04/44/60/171044460.db2.gz KXPZWHQNVLIYHM-MRXNPFEDSA-N 2 0 277.412 1.723 10 0 CDAERP CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC000020309012 171143515 /nfs/dbraw/zinc/14/35/15/171143515.db2.gz LQDKDMPXPJKGRD-QWHCGFSZSA-N 2 0 257.422 1.611 10 0 CDAERP CN([C@H](C[NH3+])c1ccsc1)C1CC[NH+](C)CC1 ZINC000022220685 171377934 /nfs/dbraw/zinc/37/79/34/171377934.db2.gz OFLBDKPTZVEJCF-CYBMUJFWSA-N 2 0 253.415 1.774 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000653210761 412140749 /nfs/dbraw/zinc/14/07/49/412140749.db2.gz HKUPUAUDYVZYQH-AWEZNQCLSA-N 2 0 261.369 1.164 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000653176194 412116259 /nfs/dbraw/zinc/11/62/59/412116259.db2.gz MSEQFHSCJHEOHC-QWHCGFSZSA-N 2 0 255.406 1.079 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662788971 413500519 /nfs/dbraw/zinc/50/05/19/413500519.db2.gz QXSKNYVIZMOJFD-SNVBAGLBSA-N 2 0 280.372 1.035 10 0 CDAERP COC(=O)C[C@H](C)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000035748108 172396089 /nfs/dbraw/zinc/39/60/89/172396089.db2.gz CRFVUQGDFUQWEN-STQMWFEESA-N 2 0 256.390 1.792 10 0 CDAERP C[C@@H](CCNC(=O)C1([NH2+]C2CC2)CCC1)[NH+](C)C ZINC000662859519 413622827 /nfs/dbraw/zinc/62/28/27/413622827.db2.gz NVAVMZBLGGGFDV-NSHDSACASA-N 2 0 253.390 1.118 10 0 CDAERP O=C(C[C@@H]1[NH2+]Cc2ccccc21)NCCC[C@@H]1CCC[NH2+]1 ZINC000659310756 413700841 /nfs/dbraw/zinc/70/08/41/413700841.db2.gz ISJJCAFPLYUSEH-HOCLYGCPSA-N 2 0 287.407 1.869 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407410279 413952762 /nfs/dbraw/zinc/95/27/62/413952762.db2.gz VRMXZRKFLUSGCF-FVQBIDKESA-N 2 0 293.455 1.898 10 0 CDAERP CC(=O)NCc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000665234601 413958108 /nfs/dbraw/zinc/95/81/08/413958108.db2.gz GRBQCJYNQBLWBQ-SJORKVTESA-N 2 0 289.423 1.930 10 0 CDAERP COC[C@H](CC[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1)OC ZINC000665234532 413959480 /nfs/dbraw/zinc/95/94/80/413959480.db2.gz FIRSVXVIMITLSV-ILXRZTDVSA-N 2 0 272.433 1.938 10 0 CDAERP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1ccc(-n2cnnn2)cc1 ZINC000665281256 414019570 /nfs/dbraw/zinc/01/95/70/414019570.db2.gz YOEKPXBDHMFVCG-IUODEOHRSA-N 2 0 288.399 1.686 10 0 CDAERP CCN(CCC[NH+](CC)CC)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659615398 414022381 /nfs/dbraw/zinc/02/23/81/414022381.db2.gz ZYVVXKDFLBMWMS-UHFFFAOYSA-N 2 0 296.459 1.502 10 0 CDAERP CC[C@@H]1C[C@@H]([NH2+]C[C@H](C)CN2CC[NH+](C)CC2)CO1 ZINC000657347289 414184448 /nfs/dbraw/zinc/18/44/48/414184448.db2.gz WQLUUIDDUMDBJA-RRFJBIMHSA-N 2 0 269.433 1.027 10 0 CDAERP CC[C@H]1C[C@@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)CO1 ZINC000657348017 414212894 /nfs/dbraw/zinc/21/28/94/414212894.db2.gz ITDYJFXNSPCMJY-CVEARBPZSA-N 2 0 283.460 1.417 10 0 CDAERP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccccc1N1CCOCC1 ZINC000663497656 414295911 /nfs/dbraw/zinc/29/59/11/414295911.db2.gz DRQZLONHPSTDHE-MRXNPFEDSA-N 2 0 291.439 1.986 10 0 CDAERP C[C@H]1C[C@@H](NCc2nc3c(s2)C[NH2+]CC3)CC[NH2+]1 ZINC000663497418 414297236 /nfs/dbraw/zinc/29/72/36/414297236.db2.gz NYTGRQLDFZENII-UWVGGRQHSA-N 2 0 266.414 1.019 10 0 CDAERP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H](N(C)C(=O)N(C)C)C2)CC[NH2+]1 ZINC000663501488 414300886 /nfs/dbraw/zinc/30/08/86/414300886.db2.gz WMAGYGFZSUETEB-HZSPNIEDSA-N 2 0 282.432 1.062 10 0 CDAERP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cnn3c2CCC3)C1 ZINC000657491709 414389103 /nfs/dbraw/zinc/38/91/03/414389103.db2.gz IQWCOBZTFMOIHA-ZDUSSCGKSA-N 2 0 262.401 1.651 10 0 CDAERP CC(C)OCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657434207 414319489 /nfs/dbraw/zinc/31/94/89/414319489.db2.gz ACDFEZNBFWTIIS-UHFFFAOYSA-N 2 0 260.341 1.782 10 0 CDAERP CC/C=C\CC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662152345 414539755 /nfs/dbraw/zinc/53/97/55/414539755.db2.gz RXZCNPVLNVPAQB-JZIMQPMSSA-N 2 0 252.402 1.874 10 0 CDAERP C[N@@H+](Cc1cccc(O)c1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662250210 414585266 /nfs/dbraw/zinc/58/52/66/414585266.db2.gz AQHWDIWDXOGIHX-CQSZACIVSA-N 2 0 262.353 1.345 10 0 CDAERP CNC(=O)[C@H](C)C[N@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000662257183 414592293 /nfs/dbraw/zinc/59/22/93/414592293.db2.gz BFOBEVDCTBXTPN-GFCCVEGCSA-N 2 0 275.396 1.146 10 0 CDAERP CO[C@H](C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)C1CCCC1 ZINC000662267565 414602030 /nfs/dbraw/zinc/60/20/30/414602030.db2.gz WWSRWVAGFNNKRO-HUUCEWRRSA-N 2 0 252.402 1.877 10 0 CDAERP CC(C)(C)[C@@H](C[NH3+])NCc1cccc2c1CC[NH2+]C2 ZINC000662278096 414608424 /nfs/dbraw/zinc/60/84/24/414608424.db2.gz VPZIOCOLNKIERK-OAHLLOKOSA-N 2 0 261.413 1.795 10 0 CDAERP C[C@H](CNC(=O)[C@H]([NH3+])Cc1ccccc1)[NH+]1CCCCC1 ZINC000038029483 174020711 /nfs/dbraw/zinc/02/07/11/174020711.db2.gz BRKXRDYOBANBQM-GDBMZVCRSA-N 2 0 289.423 1.547 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]C[C@@H]2COCCO2)C1 ZINC000038060785 174071531 /nfs/dbraw/zinc/07/15/31/174071531.db2.gz HGDSCHCRRJGRSM-RBSFLKMASA-N 2 0 270.417 1.502 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000040624409 174356505 /nfs/dbraw/zinc/35/65/05/174356505.db2.gz PJJBAFYPEZBYMP-UGUYLWEFSA-N 2 0 293.455 1.754 10 0 CDAERP CC[NH+]1CCC([C@@H](C)[NH2+][C@@H]2CCCN(C)C2)CC1 ZINC000040672695 174370506 /nfs/dbraw/zinc/37/05/06/174370506.db2.gz UWQSEVUWECTCJE-UKRRQHHQSA-N 2 0 253.434 1.791 10 0 CDAERP [NH3+][C@H]1CCOC[C@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000040693980 174377668 /nfs/dbraw/zinc/37/76/68/174377668.db2.gz LJKRFNVZHXBREX-LSDHHAIUSA-N 2 0 267.417 1.053 10 0 CDAERP C[C@@H]([NH3+])[C@@H](c1ccncc1)N1CCC([NH+](C)C)CC1 ZINC000043353688 175020635 /nfs/dbraw/zinc/02/06/35/175020635.db2.gz AAWGHQRSAUOERA-DOMZBBRYSA-N 2 0 262.401 1.496 10 0 CDAERP O=C(CC[C@@H]1CCC[NH2+]C1)N1CCC([NH+]2CCCC2)CC1 ZINC000043590535 175073430 /nfs/dbraw/zinc/07/34/30/175073430.db2.gz VDZHTVFFRDYOII-HNNXBMFYSA-N 2 0 293.455 1.853 10 0 CDAERP c1ccc2c(c1)CC[NH2+][C@H]2CN1CC[NH+](C2CC2)CC1 ZINC000043596212 175076865 /nfs/dbraw/zinc/07/68/65/175076865.db2.gz ITJHASDEROJKDU-KRWDZBQOSA-N 2 0 271.408 1.653 10 0 CDAERP C[NH2+][C@H](CN1CC[NH+](C)CC1)c1cc(OC)ccc1OC ZINC000043810471 175109725 /nfs/dbraw/zinc/10/97/25/175109725.db2.gz MAKLPTKLKCKEOX-OAHLLOKOSA-N 2 0 293.411 1.212 10 0 CDAERP C[NH2+][C@H]1c2ccccc2C[C@@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815216 175111891 /nfs/dbraw/zinc/11/18/91/175111891.db2.gz KZJHOBLVJXYHDV-IRXDYDNUSA-N 2 0 273.424 1.898 10 0 CDAERP CC[NH2+][C@@H]1CCC[C@@H]1N1CCC(C[NH+](C)C)CC1 ZINC000043970691 175131995 /nfs/dbraw/zinc/13/19/95/175131995.db2.gz QNJGLIJFYRVWIE-CABCVRRESA-N 2 0 253.434 1.791 10 0 CDAERP CC[NH+]1CCC(C[N@@H+]2CC[C@H]([NH2+]C)C[C@@H]2C)CC1 ZINC000044518854 175191600 /nfs/dbraw/zinc/19/16/00/175191600.db2.gz DNZVVKODMWKLCE-ZFWWWQNUSA-N 3 0 253.434 1.791 10 0 CDAERP CCCC[C@H]([NH3+])C(=O)NCC1CC[NH+](CC)CC1 ZINC000044526777 175191960 /nfs/dbraw/zinc/19/19/60/175191960.db2.gz YMYYUYDJIYJOLS-ZDUSSCGKSA-N 2 0 255.406 1.352 10 0 CDAERP [NH3+]C[C@H]1CCC[N@H+](CCC(=O)NC2CCCCC2)C1 ZINC000044529824 175194123 /nfs/dbraw/zinc/19/41/23/175194123.db2.gz PUHCSMMWSTZHNP-CYBMUJFWSA-N 2 0 267.417 1.496 10 0 CDAERP CC[NH2+][C@H]1CCN(C[C@@H]2CCCC[N@@H+]2C)C[C@@H]1C ZINC000044562927 175206108 /nfs/dbraw/zinc/20/61/08/175206108.db2.gz USYMYBZBVKKGPO-KKUMJFAQSA-N 2 0 253.434 1.791 10 0 CDAERP [NH3+][C@@H](CCN[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000044679503 175228734 /nfs/dbraw/zinc/22/87/34/175228734.db2.gz RLPYVBYBWWWWHW-HOCLYGCPSA-N 2 0 259.397 1.903 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)C2(C[NH3+])CCCCC2)C1 ZINC000044763025 175247213 /nfs/dbraw/zinc/24/72/13/175247213.db2.gz LGKUZBAITCZBCA-CYBMUJFWSA-N 2 0 267.417 1.354 10 0 CDAERP CCC[NH+]1CCN(C(=O)[C@@H](C[NH3+])Cc2ccccc2)CC1 ZINC000044793535 175254050 /nfs/dbraw/zinc/25/40/50/175254050.db2.gz RVAUAVFPGFCTTA-MRXNPFEDSA-N 2 0 289.423 1.358 10 0 CDAERP CC[C@H](C[NH3+])C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000044797765 175254719 /nfs/dbraw/zinc/25/47/19/175254719.db2.gz UWERFMMLRVCPQK-DOMZBBRYSA-N 2 0 293.411 1.399 10 0 CDAERP CCCC(C[NH3+])(CCC)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000044803607 175255970 /nfs/dbraw/zinc/25/59/70/175255970.db2.gz DEAOGFIEGFJWRH-CYBMUJFWSA-N 2 0 269.433 1.742 10 0 CDAERP C[C@H](CNC(=O)C[C@@H]1CCCC[NH2+]1)[NH+]1CCCCC1 ZINC000045010310 175289397 /nfs/dbraw/zinc/28/93/97/175289397.db2.gz MXXQEFXCSWQFLB-KGLIPLIRSA-N 2 0 267.417 1.509 10 0 CDAERP CCN[C@@](C)(CC[NH+]1CCC(C[NH+](C)C)CC1)C(=O)OC ZINC000045277117 175347871 /nfs/dbraw/zinc/34/78/71/175347871.db2.gz XDWFAQSCGLNKSU-INIZCTEOSA-N 2 0 299.459 1.191 10 0 CDAERP CCCC[N@H+](C)CCCC[C@@](C)([NH2+]CC)C(N)=O ZINC000045368243 175363180 /nfs/dbraw/zinc/36/31/80/175363180.db2.gz CBGFJFCLVCVFRK-CQSZACIVSA-N 2 0 257.422 1.742 10 0 CDAERP CC[NH2+][C@@](C)(CCC[N@H+](C)C[C@@H](C)CC)C(N)=O ZINC000045388676 175374088 /nfs/dbraw/zinc/37/40/88/175374088.db2.gz NRDJPALZCACVLO-JSGCOSHPSA-N 2 0 257.422 1.598 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)c1ccccc1CC[NH3+] ZINC000070552875 175981936 /nfs/dbraw/zinc/98/19/36/175981936.db2.gz RCBHTRJJYYAJSL-UHFFFAOYSA-N 2 0 277.412 1.602 10 0 CDAERP CCC[C@@H]1C[C@@](C[NH3+])(N2CC[NH+](CCC)CC2)CCO1 ZINC000070988224 176018472 /nfs/dbraw/zinc/01/84/72/176018472.db2.gz QPMSNJJPOJVRPS-CVEARBPZSA-N 2 0 283.460 1.691 10 0 CDAERP CCC[NH2+][C@H]1CCN(C[C@@H]2CCC[N@@H+]2CC)C1=O ZINC000071032779 176023413 /nfs/dbraw/zinc/02/34/13/176023413.db2.gz VFZHKHPFBKSIIA-STQMWFEESA-N 2 0 253.390 1.071 10 0 CDAERP CC[C@@H]([NH3+])[C@@H](c1ccncc1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071187903 176062321 /nfs/dbraw/zinc/06/23/21/176062321.db2.gz ZSSMSDIRKXANSQ-FVQBIDKESA-N 2 0 276.428 1.744 10 0 CDAERP COc1ccc(C[NH3+])cc1CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188931 176063378 /nfs/dbraw/zinc/06/33/78/176063378.db2.gz SEWSKHRLWJXNFC-CQSZACIVSA-N 2 0 277.412 1.537 10 0 CDAERP COCC[NH2+]Cc1ccccc1N(C)C[C@H]1CC[N@H+](C)C1 ZINC000071190117 176065699 /nfs/dbraw/zinc/06/56/99/176065699.db2.gz UJSDOWAWVVERHD-HNNXBMFYSA-N 2 0 291.439 1.811 10 0 CDAERP CC[NH2+]Cc1cccnc1N(C)C[C@H]1CC[N@H+](C)C1 ZINC000071191647 176070202 /nfs/dbraw/zinc/07/02/02/176070202.db2.gz HFTBZOIQXVAAIW-ZDUSSCGKSA-N 2 0 262.401 1.579 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071193271 176075266 /nfs/dbraw/zinc/07/52/66/176075266.db2.gz OZWJSWWELAATJX-MQYQWHSLSA-N 2 0 267.417 1.160 10 0 CDAERP CC(C)[NH2+][C@H]1CCCN([C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000071200785 176077487 /nfs/dbraw/zinc/07/74/87/176077487.db2.gz MBQHAMQVQOMCSQ-DZGCQCFKSA-N 2 0 251.418 1.686 10 0 CDAERP CCC[NH2+][C@@H]1CCCN([C@@H]2CCC[N@H+](CC)C2)C1 ZINC000071200667 176077873 /nfs/dbraw/zinc/07/78/73/176077873.db2.gz DHEZHTCCBKSGMZ-HUUCEWRRSA-N 2 0 253.434 1.935 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)N1CCC[C@H]([NH2+]C2CC2)C1 ZINC000071200840 176077906 /nfs/dbraw/zinc/07/79/06/176077906.db2.gz CLFAAZKBPRNSHA-LSDHHAIUSA-N 2 0 253.434 1.789 10 0 CDAERP CC[NH2+][C@H]1CCCN(C[C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000071200512 176077934 /nfs/dbraw/zinc/07/79/34/176077934.db2.gz KUQKEDDCZSUGTR-GJZGRUSLSA-N 2 0 253.434 1.791 10 0 CDAERP CC(C)C[N@H+](CC(N)=O)Cc1ccc(F)cc1C[NH3+] ZINC000071263520 176097051 /nfs/dbraw/zinc/09/70/51/176097051.db2.gz XNUUXOQIMJMAJG-UHFFFAOYSA-N 2 0 267.348 1.228 10 0 CDAERP NC(=[NH2+])c1cc(F)ccc1CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000071268039 176101808 /nfs/dbraw/zinc/10/18/08/176101808.db2.gz OQFKKZBZFXCSFY-CQSZACIVSA-N 2 0 290.386 1.780 10 0 CDAERP Cc1ccsc1[C@H](C[NH3+])N1CC[NH+](CC(C)(C)O)CC1 ZINC000071380237 176144517 /nfs/dbraw/zinc/14/45/17/176144517.db2.gz HHTQDSOWKMKIII-ZDUSSCGKSA-N 2 0 297.468 1.445 10 0 CDAERP CC(C)(O)C[NH+]1CCN([C@H](C[NH3+])c2ccsc2)CC1 ZINC000071380133 176144535 /nfs/dbraw/zinc/14/45/35/176144535.db2.gz WNPHPWATIIMQNE-CYBMUJFWSA-N 2 0 283.441 1.136 10 0 CDAERP CC(C)(O)C[NH+]1CCN([C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000071380372 176144991 /nfs/dbraw/zinc/14/49/91/176144991.db2.gz LHJFHEQETNHEQR-HNNXBMFYSA-N 2 0 295.402 1.214 10 0 CDAERP CC(C)(O)C[NH+]1CCN(C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000071380770 176144994 /nfs/dbraw/zinc/14/49/94/176144994.db2.gz CAROMDLHORHOHL-OAHLLOKOSA-N 2 0 277.412 1.075 10 0 CDAERP CC[NH2+]C[C@](C)(CC)CN1CC[NH+](CC(C)(C)O)CC1 ZINC000071381786 176145696 /nfs/dbraw/zinc/14/56/96/176145696.db2.gz DGYVAFLGZXQXHF-INIZCTEOSA-N 2 0 285.476 1.401 10 0 CDAERP CCC[C@@H](CC[NH3+])CCC[NH2+][C@@]1(C)CCS(=O)(=O)C1 ZINC000079244575 177455461 /nfs/dbraw/zinc/45/54/61/177455461.db2.gz JTOJMYGUABXJPH-KGLIPLIRSA-N 2 0 290.473 1.699 10 0 CDAERP Cc1nc[nH]c1CC(=O)NC[C@H](C)C[NH2+]C/C=C/Cl ZINC001666657256 1173167456 /nfs/dbraw/zinc/16/74/56/1173167456.db2.gz WMGPRYRNMSEGND-HMDXOVGESA-N 2 0 284.791 1.355 10 0 CDAERP CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001666914890 1173207137 /nfs/dbraw/zinc/20/71/37/1173207137.db2.gz XVYRPWJUTHMGLT-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP C[N@H+](CCc1ccc(F)cc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662252464 423794526 /nfs/dbraw/zinc/79/45/26/423794526.db2.gz MIFXSVZGHIJSIS-OAHLLOKOSA-N 2 0 278.371 1.821 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659452388 423785435 /nfs/dbraw/zinc/78/54/35/423785435.db2.gz MBAXXHHWFIUTII-KKNUOHPOSA-N 2 0 294.443 1.301 10 0 CDAERP CC(C)CC[C@@H](O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662322748 423953306 /nfs/dbraw/zinc/95/33/06/423953306.db2.gz IMCSMXIQAROLHO-HZPDHXFCSA-N 2 0 286.460 1.826 10 0 CDAERP C[C@@H](C[NH3+])CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659527179 423916481 /nfs/dbraw/zinc/91/64/81/423916481.db2.gz UEKZSWUKGDMKET-NWANDNLSSA-N 2 0 290.411 1.026 10 0 CDAERP CN(CC[C@@H]1CCC[NH2+]C1)[C@H](C[NH3+])C(F)(F)F ZINC000662330986 423967598 /nfs/dbraw/zinc/96/75/98/423967598.db2.gz DLRGMJMRZDGSCQ-VHSXEESVSA-N 2 0 253.312 1.198 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)NCC[N@H+](C)C1CC1 ZINC000652151169 423968778 /nfs/dbraw/zinc/96/87/78/423968778.db2.gz LEFRPEWRHILSFS-UHFFFAOYSA-N 2 0 290.411 1.299 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N[C@@H](C)CCC[NH3+] ZINC000652220938 424097354 /nfs/dbraw/zinc/09/73/54/424097354.db2.gz NARAHTUEDPBXKX-LBPRGKRZSA-N 2 0 278.400 1.333 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N(C)CC[NH+]2CCCCC2)CC[NH2+]1 ZINC000653275031 424226906 /nfs/dbraw/zinc/22/69/06/424226906.db2.gz VCZJDLFWBVNBOT-KBPBESRZSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@]1(c2cccc(F)c2)CC[N@H+](CCOCC[NH3+])C1 ZINC000652350094 424283879 /nfs/dbraw/zinc/28/38/79/424283879.db2.gz FMUFKGRDXGRRKO-HNNXBMFYSA-N 2 0 266.360 1.764 10 0 CDAERP CC[C@@H]([NH2+]C)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000662685206 424315694 /nfs/dbraw/zinc/31/56/94/424315694.db2.gz QBHKSNBXVVBIAU-KGLIPLIRSA-N 2 0 277.368 1.284 10 0 CDAERP Cn1nccc1[C@@H]1COCCN1CC[C@H]1CCC[NH2+]C1 ZINC000652364170 424316794 /nfs/dbraw/zinc/31/67/94/424316794.db2.gz ZZHCIRYQJFEVDA-HIFRSBDPSA-N 2 0 278.400 1.183 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)CC1 ZINC000653148673 424378151 /nfs/dbraw/zinc/37/81/51/424378151.db2.gz HZEAPNDNEFTBII-AHNOJICISA-N 2 0 293.455 1.754 10 0 CDAERP CC[N@H+](C)C[C@H](O)CN[C@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000653663778 424400940 /nfs/dbraw/zinc/40/09/40/424400940.db2.gz IZRSGLWZZGCTFW-IXDOHACOSA-N 2 0 291.439 1.334 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000659619144 424414816 /nfs/dbraw/zinc/41/48/16/424414816.db2.gz MTGORIGWUQFECH-JHJVBQTASA-N 2 0 270.421 1.271 10 0 CDAERP C[C@@H](CC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@H]1CCC[NH2+]C1 ZINC000655488516 424506362 /nfs/dbraw/zinc/50/63/62/424506362.db2.gz CEAKEUCEIUZENU-ZQDZILKHSA-N 2 0 281.444 1.469 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000655489686 424507590 /nfs/dbraw/zinc/50/75/90/424507590.db2.gz ZGSXPYXFQOEMPV-QMIVOQANSA-N 2 0 279.428 1.364 10 0 CDAERP COC[C@H](CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)OC ZINC000665234767 424468021 /nfs/dbraw/zinc/46/80/21/424468021.db2.gz KACVIZCTOQYVIH-CAOSSQGBSA-N 2 0 284.444 1.938 10 0 CDAERP C[N@H+](C[C@@H](O)CNC1C[C@H]2CCC[C@@H](C1)[NH+]2C)C1CC1 ZINC000312369733 270323196 /nfs/dbraw/zinc/32/31/96/270323196.db2.gz LZQNFDULQZZXNC-WDVRLDOZSA-N 2 0 281.444 1.046 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000517029005 270507010 /nfs/dbraw/zinc/50/70/10/270507010.db2.gz UUDLBIDNZCATKI-STQMWFEESA-N 2 0 284.448 1.533 10 0 CDAERP CC1(C)CC(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000530220220 271161781 /nfs/dbraw/zinc/16/17/81/271161781.db2.gz SXIAEGHOSCTPNC-AWEZNQCLSA-N 2 0 281.444 1.742 10 0 CDAERP CN1C(=O)c2ccccc2[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000530222094 271162690 /nfs/dbraw/zinc/16/26/90/271162690.db2.gz FQMOMYGMZSERFN-KCXAZCMYSA-N 2 0 287.407 1.920 10 0 CDAERP COc1ccc(CC[NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)cn1 ZINC000530242840 271179532 /nfs/dbraw/zinc/17/95/32/271179532.db2.gz DPBYUHHIMFGBSS-TZMCWYRMSA-N 2 0 263.385 1.610 10 0 CDAERP CC(C)(C)OC(=O)NC1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000058827406 277197271 /nfs/dbraw/zinc/19/72/71/277197271.db2.gz YAEOHBKOSXIWDG-CYBMUJFWSA-N 2 0 297.443 1.975 10 0 CDAERP COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420373755 277374192 /nfs/dbraw/zinc/37/41/92/277374192.db2.gz MZGGLWUYDHNCDM-BARDWOONSA-N 2 0 280.412 1.650 10 0 CDAERP CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000416937777 277385472 /nfs/dbraw/zinc/38/54/72/277385472.db2.gz JPUAUUKACBQNDW-HIFRSBDPSA-N 2 0 296.459 1.404 10 0 CDAERP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1=O ZINC000422917973 277992357 /nfs/dbraw/zinc/99/23/57/277992357.db2.gz GKYUJVATQWYUGX-AQGHMYMLSA-N 2 0 291.439 1.506 10 0 CDAERP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)[C@H]1C[C@H]1C ZINC000414122015 278257464 /nfs/dbraw/zinc/25/74/64/278257464.db2.gz NRKBZFGHGNPERI-QPSCCSFWSA-N 2 0 254.418 1.857 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415105505 279178915 /nfs/dbraw/zinc/17/89/15/279178915.db2.gz IDKQADMTLQQTTR-XHSDSOJGSA-N 2 0 283.460 1.578 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000414749612 279180718 /nfs/dbraw/zinc/18/07/18/279180718.db2.gz WKESXTLECKDOBK-ULQDDVLXSA-N 2 0 296.503 1.318 10 0 CDAERP CC[N@H+](CCN[C@@H]1CC[NH+](C)[C@H]2CCC[C@@H]21)C1CC1 ZINC000367601763 279206844 /nfs/dbraw/zinc/20/68/44/279206844.db2.gz PFHYUPNXRJPCOF-OAGGEKHMSA-N 2 0 265.445 1.933 10 0 CDAERP CC[N@H+](CCN[C@@H]1CC[NH+](C)[C@H]2CCC[C@H]21)C1CC1 ZINC000367601765 279207107 /nfs/dbraw/zinc/20/71/07/279207107.db2.gz PFHYUPNXRJPCOF-XHSDSOJGSA-N 2 0 265.445 1.933 10 0 CDAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CC[NH2+]C[C@H]1C ZINC000414946883 279367985 /nfs/dbraw/zinc/36/79/85/279367985.db2.gz UTTTZSAENCYLPO-KBXIAJHMSA-N 2 0 253.434 1.885 10 0 CDAERP C[NH+](C)CC[C@H]([NH2+]C1CCN(C(N)=O)CC1)C(C)(C)C ZINC000125875560 279478486 /nfs/dbraw/zinc/47/84/86/279478486.db2.gz CAJZQLISMKSQND-ZDUSSCGKSA-N 2 0 284.448 1.486 10 0 CDAERP O=C([C@H]1CC[NH2+]1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000335823127 280137617 /nfs/dbraw/zinc/13/76/17/280137617.db2.gz HWVAQZZLGKAFCT-HUUCEWRRSA-N 2 0 279.428 1.463 10 0 CDAERP CC(C)[C@H](C(=O)N1CCC2(CC[NH2+]C2)CC1)[C@@H](C)[NH3+] ZINC000335046110 280143207 /nfs/dbraw/zinc/14/32/07/280143207.db2.gz ZQCCFVIJBNRBAQ-OLZOCXBDSA-N 2 0 267.417 1.208 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)N(C)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000246204201 280263256 /nfs/dbraw/zinc/26/32/56/280263256.db2.gz NCQOAQDMDUEQTC-KKUMJFAQSA-N 2 0 296.459 1.595 10 0 CDAERP COc1ccc([C@H](C[NH3+])CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000517904534 281013025 /nfs/dbraw/zinc/01/30/25/281013025.db2.gz IHTYPXOBXJMGMG-OAGGEKHMSA-N 2 0 289.423 1.564 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000251714894 288303647 /nfs/dbraw/zinc/30/36/47/288303647.db2.gz JPLDCHVKLVOACT-QCODTGAPSA-N 2 0 291.439 1.602 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000532754369 282033473 /nfs/dbraw/zinc/03/34/73/282033473.db2.gz MZTJWKBUYXAPPM-ROKHWSDSSA-N 2 0 267.417 1.175 10 0 CDAERP CCN(CC[NH2+]CC1CC(C)(C)C1)C(=O)C[NH+]1CCCC1 ZINC001668645584 1173435512 /nfs/dbraw/zinc/43/55/12/1173435512.db2.gz POFDHRBXKDTZHU-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP C[NH+](C)CC1(C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)CCCCC1 ZINC000334886419 289081725 /nfs/dbraw/zinc/08/17/25/289081725.db2.gz JKTDYJMFKXWMQT-LSDHHAIUSA-N 2 0 293.455 1.661 10 0 CDAERP C[NH+](C)CC[C@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)C(C)(C)C ZINC000116567275 289182434 /nfs/dbraw/zinc/18/24/34/289182434.db2.gz NMEWJMVRVICOLO-KGLIPLIRSA-N 2 0 298.475 1.698 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000561156193 293056095 /nfs/dbraw/zinc/05/60/95/293056095.db2.gz RONWQYDHLBEXDV-ZBFHGGJFSA-N 2 0 296.459 1.502 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)CN2CC(C)(C)C2)C1 ZINC000561195704 293061072 /nfs/dbraw/zinc/06/10/72/293061072.db2.gz LEXZRLKZYAYWOH-CQSZACIVSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)NCC2CC[NH2+]CC2)cc1 ZINC000561206628 293063002 /nfs/dbraw/zinc/06/30/02/293063002.db2.gz AHFCRTNLRUWZCC-GFCCVEGCSA-N 2 0 290.411 1.505 10 0 CDAERP CC[C@H](O)C[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000562994290 293238075 /nfs/dbraw/zinc/23/80/75/293238075.db2.gz WXEUDUJVUXOMRG-HNNXBMFYSA-N 2 0 283.460 1.297 10 0 CDAERP CC/C=C/CC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001668833373 1173470825 /nfs/dbraw/zinc/47/08/25/1173470825.db2.gz GZVPZFPHFDSGNK-DGQZYHEOSA-N 2 0 293.455 1.945 10 0 CDAERP CN(C[C@H](O)C[NH2+]C1CCC(C[NH+](C)C)CC1)C1CC1 ZINC000574445328 295000394 /nfs/dbraw/zinc/00/03/94/295000394.db2.gz YYUGRZHIZKDPRS-ZBCRRDGASA-N 2 0 283.460 1.152 10 0 CDAERP [NH3+]CCN(CCc1ccccc1)C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261842081 295232494 /nfs/dbraw/zinc/23/24/94/295232494.db2.gz PQZQVNMBOHLOSJ-JKSUJKDBSA-N 2 0 289.423 1.534 10 0 CDAERP COc1ccc([C@H](N[C@H](C)C[NH3+])[C@H]2CCC[NH2+]2)cc1 ZINC000423337745 295246075 /nfs/dbraw/zinc/24/60/75/295246075.db2.gz VLVSIPDOPRDKGO-DFBGVHRSSA-N 2 0 263.385 1.425 10 0 CDAERP C[C@@H]1C[C@@H](N(C)CC[C@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000245645977 297259145 /nfs/dbraw/zinc/25/91/45/297259145.db2.gz TZKIZSMQZQCDKJ-KFWWJZLASA-N 2 0 253.434 1.885 10 0 CDAERP C[C@H](F)CC[NH2+]C/C=C/CNC(=O)C12CC[NH+](CC1)C2 ZINC001669139596 1173508821 /nfs/dbraw/zinc/50/88/21/1173508821.db2.gz PQRDNCQUAIHZRE-IBUXWKBASA-N 2 0 283.391 1.092 10 0 CDAERP C[C@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001669293811 1173533267 /nfs/dbraw/zinc/53/32/67/1173533267.db2.gz RIBPQLRWMIXPDF-MGPQQGTHSA-N 2 0 283.460 1.857 10 0 CDAERP O=C(N[C@H]1CCCC[NH2+]C1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000333682879 303949664 /nfs/dbraw/zinc/94/96/64/303949664.db2.gz OZZZHLZYQCUFMM-CABCVRRESA-N 2 0 294.443 1.160 10 0 CDAERP CCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC001669979041 1173639306 /nfs/dbraw/zinc/63/93/06/1173639306.db2.gz ANDWQDSIESOBRB-CABCVRRESA-N 2 0 281.444 1.757 10 0 CDAERP C[NH+]1CCN(C[C@H](O)C[NH2+]C2CC(C(C)(C)C)C2)CC1 ZINC000563708154 316358921 /nfs/dbraw/zinc/35/89/21/316358921.db2.gz PKAOYZRRTRIKDK-YMAMQOFZSA-N 2 0 283.460 1.009 10 0 CDAERP CCn1ccnc1CNC(=O)c1ccc(C[NH+](C)C)nc1 ZINC000563734102 316364392 /nfs/dbraw/zinc/36/43/92/316364392.db2.gz RGEZUIYVXRYETM-UHFFFAOYSA-N 2 0 287.367 1.290 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)[C@@H]1n1cccn1 ZINC000576003191 317057629 /nfs/dbraw/zinc/05/76/29/317057629.db2.gz NPCREDBTWWSQBD-ZQNQSHIBSA-N 2 0 278.400 1.461 10 0 CDAERP C[NH2+]CC1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000576516712 317153493 /nfs/dbraw/zinc/15/34/93/317153493.db2.gz RAQMQTANTWHKMV-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000579856543 324304513 /nfs/dbraw/zinc/30/45/13/324304513.db2.gz PKOJSCRADOYNLO-STQMWFEESA-N 2 0 255.406 1.175 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC[C@H](O)C[NH+](C)C1CC1 ZINC000583020337 325090032 /nfs/dbraw/zinc/09/00/32/325090032.db2.gz VCRNEVTURZJVIO-LZWOXQAQSA-N 2 0 283.460 1.294 10 0 CDAERP CC(C)C[C@H](CN[C@@H](C)[C@H]1CCC[NH2+]C1)[NH+](C)C ZINC000584225905 327068485 /nfs/dbraw/zinc/06/84/85/327068485.db2.gz IYRTVSQOZQOTPV-SOUVJXGZSA-N 2 0 255.450 1.940 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+]1CCCCC1)C[NH2+]CCF ZINC001698778468 1175929424 /nfs/dbraw/zinc/92/94/24/1175929424.db2.gz QHEBKSIOHIDHEC-CYBMUJFWSA-N 2 0 273.396 1.174 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001691501644 1159859418 /nfs/dbraw/zinc/85/94/18/1159859418.db2.gz XXYIMBIOGKSCDT-KBUPBQIOSA-N 2 0 281.444 1.611 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CC1(CO)CCCCC1 ZINC000234713081 482432531 /nfs/dbraw/zinc/43/25/31/482432531.db2.gz MMJKGDUOHBNWAW-CYBMUJFWSA-N 2 0 258.406 1.273 10 0 CDAERP C[N@@H+]1CCC[C@H]2CN(C(=O)C3CCC([NH3+])CC3)CC[C@H]21 ZINC000227333264 482443126 /nfs/dbraw/zinc/44/31/26/482443126.db2.gz LTRSKXGSZUQBGW-OOJKYFRXSA-N 2 0 279.428 1.447 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N1CCC(C)([NH3+])CC1 ZINC000652291836 482459006 /nfs/dbraw/zinc/45/90/06/482459006.db2.gz KFPPCPJPZQPHJD-UHFFFAOYSA-N 2 0 290.411 1.429 10 0 CDAERP [NH3+]C/C=C/CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000668623235 482492811 /nfs/dbraw/zinc/49/28/11/482492811.db2.gz CGUKMCSAAVDPGJ-ZIYVKSGCSA-N 2 0 292.383 1.231 10 0 CDAERP O=C(NC[C@@H]1CCCC[NH2+]1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000669509454 482514072 /nfs/dbraw/zinc/51/40/72/482514072.db2.gz HEYZWUDWOXXCPV-FQUUOJAGSA-N 2 0 265.401 1.165 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C(=O)NCC[NH+]2CCCCCC2)C1 ZINC000091544691 482570833 /nfs/dbraw/zinc/57/08/33/482570833.db2.gz WKDIWNCPEIUSBZ-QWHCGFSZSA-N 2 0 253.390 1.106 10 0 CDAERP CO[C@@H]1CCC[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC000684380419 482783370 /nfs/dbraw/zinc/78/33/70/482783370.db2.gz MYNFTFOXDADXTK-BZUAXINKSA-N 2 0 284.444 1.771 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000228227532 482786655 /nfs/dbraw/zinc/78/66/55/482786655.db2.gz OJWPLCCDDLIHGU-SOUVJXGZSA-N 2 0 279.428 1.448 10 0 CDAERP COC[C@@H](CC1CCOCC1)[NH2+][C@H]1CCN(CC2CC2)C1 ZINC000657875159 482907821 /nfs/dbraw/zinc/90/78/21/482907821.db2.gz ATMIUDZKAZGRDG-DLBZAZTESA-N 2 0 296.455 1.892 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000136423330 482918232 /nfs/dbraw/zinc/91/82/32/482918232.db2.gz MRQFWJXZACFYJS-CHWSQXEVSA-N 2 0 255.406 1.206 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000674011959 482923182 /nfs/dbraw/zinc/92/31/82/482923182.db2.gz YJBDXFXGHSOWKA-CABCVRRESA-N 2 0 293.455 1.851 10 0 CDAERP C[C@H]1[NH2+]CCC[C@@H]1NCc1ccc(C(=O)NC2CC2)cc1 ZINC000666884404 482961899 /nfs/dbraw/zinc/96/18/99/482961899.db2.gz OTSXJZFZLSMHQS-WBMJQRKESA-N 2 0 287.407 1.809 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000667040003 483062224 /nfs/dbraw/zinc/06/22/24/483062224.db2.gz KCLSNAAYCWCOJN-HIFRSBDPSA-N 2 0 299.422 1.992 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089458317 483079433 /nfs/dbraw/zinc/07/94/33/483079433.db2.gz LTMSMHTWMJDNLY-DZGCQCFKSA-N 2 0 281.444 1.694 10 0 CDAERP C[C@@H]1C[N@H+](CCCC2CC[NH2+]CC2)C[C@H]1N(C)C ZINC000251928004 483089039 /nfs/dbraw/zinc/08/90/39/483089039.db2.gz YMOFJFVJIIQGDD-UKRRQHHQSA-N 2 0 253.434 1.648 10 0 CDAERP O=C(C[C@H]1CCC[NH2+]C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000054291119 483129834 /nfs/dbraw/zinc/12/98/34/483129834.db2.gz MIVAQAFTXRBXSV-OAHLLOKOSA-N 2 0 293.455 1.853 10 0 CDAERP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000669491374 483280312 /nfs/dbraw/zinc/28/03/12/483280312.db2.gz WXBSTXQQYADILH-HIFRSBDPSA-N 2 0 292.427 1.007 10 0 CDAERP C[NH+]1CCC[C@@H]2CN(C(=O)N[C@H]3CCC[N@@H+](C)C3)CC[C@H]21 ZINC000675962061 483386925 /nfs/dbraw/zinc/38/69/25/483386925.db2.gz AVFHZJDVFSJRDU-QLFBSQMISA-N 2 0 294.443 1.206 10 0 CDAERP C[C@@H]([NH2+]Cc1ccccn1)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001409451200 1160829199 /nfs/dbraw/zinc/82/91/99/1160829199.db2.gz FOCORENNMMUTRB-KGLIPLIRSA-N 2 0 290.411 1.160 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)N1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602598 519814012 /nfs/dbraw/zinc/81/40/12/519814012.db2.gz OBORXYNTCQEDNN-DKUMPPAJSA-N 2 0 253.434 1.917 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000049560222 519846055 /nfs/dbraw/zinc/84/60/55/519846055.db2.gz OMTDENLISPVYTK-OLZOCXBDSA-N 2 0 267.417 1.365 10 0 CDAERP CCC[NH2+]Cc1ccoc1CN1CCC[N@H+](C)CC1 ZINC000052424173 519960131 /nfs/dbraw/zinc/96/01/31/519960131.db2.gz RHVYVIRKVCPFPX-UHFFFAOYSA-N 2 0 265.401 1.917 10 0 CDAERP CCO[C@@H](C[NH3+])CC[N@H+](C)C1CCN(CC)CC1 ZINC000062741167 520308107 /nfs/dbraw/zinc/30/81/07/520308107.db2.gz WWZPMIHPYYVFHT-CQSZACIVSA-N 2 0 257.422 1.156 10 0 CDAERP Cc1ncc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CCC[N@@H+]2C)o1 ZINC001485854173 1161443422 /nfs/dbraw/zinc/44/34/22/1161443422.db2.gz BMJQHZBSNFPLBA-FZMZJTMJSA-N 2 0 294.399 1.014 10 0 CDAERP CC[NH+]1CCC(NC(=O)CC[C@H]2CCCC[NH2+]2)CC1 ZINC000050948462 521568782 /nfs/dbraw/zinc/56/87/82/521568782.db2.gz XKNPYZKWVHVRHP-CYBMUJFWSA-N 2 0 267.417 1.509 10 0 CDAERP CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](CC)C1 ZINC001713720292 1178720747 /nfs/dbraw/zinc/72/07/47/1178720747.db2.gz SNFBNKAXFUDLFR-CYBMUJFWSA-N 2 0 255.406 1.271 10 0 CDAERP CCCCC[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001716043040 1180018480 /nfs/dbraw/zinc/01/84/80/1180018480.db2.gz DRKICERMEQUAOF-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CCN(CC[NH2+]CCC1CC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001716254161 1180121424 /nfs/dbraw/zinc/12/14/24/1180121424.db2.gz WSAUJJYBHPFUOM-CQSZACIVSA-N 2 0 267.417 1.176 10 0 CDAERP CC(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001410929404 1161964140 /nfs/dbraw/zinc/96/41/40/1161964140.db2.gz QCOMOSFEACTZTA-HRCADAONSA-N 2 0 295.471 1.811 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000062973599 517671122 /nfs/dbraw/zinc/67/11/22/517671122.db2.gz UISLWEROIYOQAL-ZIAGYGMSSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)(C)[NH+]1CCN(C(=O)C[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000055141110 518710013 /nfs/dbraw/zinc/71/00/13/518710013.db2.gz ZPAPXJAHVMMBAP-UONOGXRCSA-N 2 0 281.444 1.837 10 0 CDAERP CC(C)[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2cnn(C)c2)O1 ZINC000052570428 519725157 /nfs/dbraw/zinc/72/51/57/519725157.db2.gz ATGJWXPBMJVUPM-CABCVRRESA-N 2 0 280.416 1.398 10 0 CDAERP CC(C)C[NH+]1CCN([C@H](c2ccco2)[C@H](C)[NH3+])CC1 ZINC000055077231 519727807 /nfs/dbraw/zinc/72/78/07/519727807.db2.gz XCYHXLNIGPHXBY-ZFWWWQNUSA-N 2 0 265.401 1.942 10 0 CDAERP CC(C)[NH2+]Cc1cn(CC[N@H+]2C[C@H](C)C[C@H](C)C2)nn1 ZINC000052420718 519728405 /nfs/dbraw/zinc/72/84/05/519728405.db2.gz SVYSJDKRDNSRQW-OKILXGFUSA-N 2 0 279.432 1.754 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CC[C@@H](C[N@H+]2C[C@@H](C)O[C@@H](C)C2)O1 ZINC000052380829 519746339 /nfs/dbraw/zinc/74/63/39/519746339.db2.gz BOYCTYTXJQVMCE-QXSJWSMHSA-N 2 0 284.444 1.889 10 0 CDAERP CCC[NH+]1CCC(N2CCC([NH2+]CC)CC2)CC1 ZINC000049557854 519844472 /nfs/dbraw/zinc/84/44/72/519844472.db2.gz XFRWSRZFQIKPAQ-UHFFFAOYSA-N 2 0 253.434 1.935 10 0 CDAERP CCC[NH+]1CCN(C(=O)C[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000055124594 519855799 /nfs/dbraw/zinc/85/57/99/519855799.db2.gz YOIVOLSEDWOODM-UONOGXRCSA-N 2 0 267.417 1.448 10 0 CDAERP CCOCCC[NH2+]C[C@@H](C)N(C)CC[NH+]1CCCC1 ZINC000063054248 519896541 /nfs/dbraw/zinc/89/65/41/519896541.db2.gz HUFACLSCWKIBRM-OAHLLOKOSA-N 2 0 271.449 1.419 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000061298423 519905177 /nfs/dbraw/zinc/90/51/77/519905177.db2.gz WAMURUSFEANLKD-CYBMUJFWSA-N 2 0 293.411 1.921 10 0 CDAERP CC[NH2+]CC1(C[N@H+](C)C[C@@H]2CCCO2)CCOCC1 ZINC000052182968 519912031 /nfs/dbraw/zinc/91/20/31/519912031.db2.gz NTMGEBOYFFFBBR-AWEZNQCLSA-N 2 0 270.417 1.504 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@H](C[N@H+](CC)CCOC)O1 ZINC000052542782 519939067 /nfs/dbraw/zinc/93/90/67/519939067.db2.gz OFSLXKKSLXTLLY-ZIAGYGMSSA-N 2 0 258.406 1.502 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@@H](C[NH+]2CCC(OC)CC2)O1 ZINC000052455409 519950503 /nfs/dbraw/zinc/95/05/03/519950503.db2.gz VJEHXYWFBORKQJ-KBPBESRZSA-N 2 0 256.390 1.254 10 0 CDAERP CC[NH2+]Cc1cn(CC[N@H+](C)C(CC)CC)nn1 ZINC000052478127 520012370 /nfs/dbraw/zinc/01/23/70/520012370.db2.gz JRUNUILHGZRWOH-UHFFFAOYSA-N 2 0 253.394 1.508 10 0 CDAERP CC[NH2+]Cc1occc1CN(C)C1CC[NH+](C)CC1 ZINC000052419839 520031814 /nfs/dbraw/zinc/03/18/14/520031814.db2.gz FYWRYVJEQZWZEU-UHFFFAOYSA-N 2 0 265.401 1.915 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)NC[C@@H](C(CC)CC)[NH+](C)C ZINC000061273747 520064128 /nfs/dbraw/zinc/06/41/28/520064128.db2.gz NHVFLNVGWZAAFS-JSGCOSHPSA-N 2 0 271.449 1.857 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000061268941 520166017 /nfs/dbraw/zinc/16/60/17/520166017.db2.gz WNBNXKBUPWUBKV-KGLIPLIRSA-N 2 0 269.433 1.755 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](CCCN2CCOCC2)CC1 ZINC000336834487 520587739 /nfs/dbraw/zinc/58/77/39/520587739.db2.gz GBMIKIYTWOKGDG-UHFFFAOYSA-N 2 0 297.487 1.763 10 0 CDAERP CC[NH+](CC)CCN(CC(C)C)C(=O)[C@]1(C)CC[NH2+]C1 ZINC000062895491 520642203 /nfs/dbraw/zinc/64/22/03/520642203.db2.gz PYUILFMWBHEELB-MRXNPFEDSA-N 2 0 283.460 1.812 10 0 CDAERP CC[NH+](CC)CCNC(=O)[C@H]1[C@H](C)CCC[C@@H]1[NH3+] ZINC000055123003 520680892 /nfs/dbraw/zinc/68/08/92/520680892.db2.gz AWMHUFRBPCVYSU-AGIUHOORSA-N 2 0 255.406 1.208 10 0 CDAERP CC[NH+](CC)CCOC[C@@H]1CC[C@@H](C[NH2+]C2CC2)O1 ZINC000052672027 520694849 /nfs/dbraw/zinc/69/48/49/520694849.db2.gz RHTHLELKPDEZFX-GJZGRUSLSA-N 2 0 270.417 1.644 10 0 CDAERP CC[N@H+](CCO)C[C@@H]1C[C@H](C(C)C)CC[C@@H]1[NH2+]C ZINC000054560037 521122359 /nfs/dbraw/zinc/12/23/59/521122359.db2.gz JNUBATNIZJXIRH-ILXRZTDVSA-N 2 0 256.434 1.961 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)[C@@](C)([NH3+])c2ccccc2)CC1 ZINC000052881672 521555850 /nfs/dbraw/zinc/55/58/50/521555850.db2.gz PYXKPQJMRTWFTN-KRWDZBQOSA-N 2 0 289.423 1.803 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000111883735 521600922 /nfs/dbraw/zinc/60/09/22/521600922.db2.gz MTQGXMPXFQMBMU-KBPBESRZSA-N 2 0 282.432 1.206 10 0 CDAERP CC[NH+]1CCN(C[C@H]2CC[C@@H](C[NH2+]CC(C)C)O2)CC1 ZINC000052422521 521686806 /nfs/dbraw/zinc/68/68/06/521686806.db2.gz HUQXXTSVIZKQFV-JKSUJKDBSA-N 2 0 283.460 1.417 10 0 CDAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)C(C)(C)n2cncn2)C1 ZINC000353429638 521710643 /nfs/dbraw/zinc/71/06/43/521710643.db2.gz URMAMKUKEMJLSX-STQMWFEESA-N 2 0 265.405 1.333 10 0 CDAERP C[NH+](C)CCOC[C@@H]1CC[C@H](C[NH2+]C(C)(C)C)O1 ZINC000052669879 521795967 /nfs/dbraw/zinc/79/59/67/521795967.db2.gz MJJRPJYQJDYXTG-OLZOCXBDSA-N 2 0 258.406 1.500 10 0 CDAERP C[NH2+]C(C)(C)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000061318366 521935389 /nfs/dbraw/zinc/93/53/89/521935389.db2.gz LFXCODBUJYTAAS-UHFFFAOYSA-N 2 0 255.406 1.410 10 0 CDAERP C[NH+](C)[C@@H]1CCN(c2nc(C3CC3)c(C[NH3+])s2)C1 ZINC000069182572 522056994 /nfs/dbraw/zinc/05/69/94/522056994.db2.gz YROZDTUFLKIVEJ-SNVBAGLBSA-N 2 0 266.414 1.620 10 0 CDAERP C[NH2+]C[C@@H]1CC[C@H](CN2CCC([NH+]3CCCCC3)CC2)O1 ZINC000052484240 522061212 /nfs/dbraw/zinc/06/12/12/522061212.db2.gz BNQULBFAFQRFQH-DLBZAZTESA-N 2 0 295.471 1.704 10 0 CDAERP CC[C@H](CC[NH3+])[NH+]1CCN(CCC[NH+]2CCCC2)CC1 ZINC000049332136 522128417 /nfs/dbraw/zinc/12/84/17/522128417.db2.gz SQEVOJFGZTYREV-MRXNPFEDSA-N 3 0 282.476 1.217 10 0 CDAERP CC[C@H](CC[NH3+])[N@@H+]1CCCN(C(=O)C2CCOCC2)CC1 ZINC000061670903 522128585 /nfs/dbraw/zinc/12/85/85/522128585.db2.gz NNAHUKVAMQUDIY-OAHLLOKOSA-N 2 0 297.443 1.075 10 0 CDAERP C[NH2+]Cc1cccc(OCC[N@H+](C)[C@@H](C)COC)c1 ZINC000052511634 522132943 /nfs/dbraw/zinc/13/29/43/522132943.db2.gz AZSJKRCREDRGTQ-ZDUSSCGKSA-N 2 0 266.385 1.752 10 0 CDAERP C[NH2+]Cc1cn(CC[N@H+](C)[C@@H]2CCCC[C@@H]2C)nn1 ZINC000052546752 522142358 /nfs/dbraw/zinc/14/23/58/522142358.db2.gz QMDYFEYUSUHBPU-GXTWGEPZSA-N 2 0 265.405 1.508 10 0 CDAERP C[NH2+]Cc1cnc(N2CC[C@H]([NH+]3CCCCC3)C2)s1 ZINC000062975199 522148272 /nfs/dbraw/zinc/14/82/72/522148272.db2.gz OIIPHNLNSLNXIJ-LBPRGKRZSA-N 2 0 280.441 1.927 10 0 CDAERP CC[C@@H](CC[NH3+])[N@@H+]1CCCN(c2ccnc(C)n2)CC1 ZINC000054935434 522497548 /nfs/dbraw/zinc/49/75/48/522497548.db2.gz IINZJFMZURQSBY-AWEZNQCLSA-N 2 0 277.416 1.425 10 0 CDAERP C[N@H+](Cc1cccs1)CC1(C[NH3+])CCOCC1 ZINC000052181581 523448704 /nfs/dbraw/zinc/44/87/04/523448704.db2.gz SNRXHPGEJRGSTC-UHFFFAOYSA-N 2 0 254.399 1.935 10 0 CDAERP COCC[NH+](CCOC)[C@@H](C)CCC[NH2+]C(C)C ZINC000052571458 523723454 /nfs/dbraw/zinc/72/34/54/523723454.db2.gz NHSNROSZAWJGEH-AWEZNQCLSA-N 2 0 260.422 1.748 10 0 CDAERP C[NH+]1CCN(Cc2ccc(C[NH2+]C3CC3)cc2)CC1 ZINC000052379505 523911989 /nfs/dbraw/zinc/91/19/89/523911989.db2.gz GSSCMPLFZZMUMN-UHFFFAOYSA-N 2 0 259.397 1.686 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000055072558 523955981 /nfs/dbraw/zinc/95/59/81/523955981.db2.gz YALROAOVORCUJX-ZNMIVQPWSA-N 2 0 253.434 1.920 10 0 CDAERP C[NH+](C)CC1CCN(C(=O)[C@H]2CCC[C@H](C[NH3+])C2)CC1 ZINC000055161511 524049283 /nfs/dbraw/zinc/04/92/83/524049283.db2.gz XABSWTNSOBORCC-GJZGRUSLSA-N 2 0 281.444 1.552 10 0 CDAERP COc1cccc([C@H]([NH3+])CN(C)CC[NH+]2CCCC2)c1 ZINC000063051469 524160339 /nfs/dbraw/zinc/16/03/39/524160339.db2.gz BLLGIZARGZBYAU-MRXNPFEDSA-N 2 0 277.412 1.723 10 0 CDAERP C[C@@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000061656204 524302183 /nfs/dbraw/zinc/30/21/83/524302183.db2.gz RBKATYHKPXQZBN-AAVRWANBSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@H]1CC[C@@H]([NH3+])C[C@@H]1C(=O)NCCCC[NH+](C)C ZINC000055138972 524362417 /nfs/dbraw/zinc/36/24/17/524362417.db2.gz SWZGVOBTMVACJL-XQQFMLRXSA-N 2 0 255.406 1.208 10 0 CDAERP C[C@@H](CC[NH+](C)C)NC(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050951353 524466700 /nfs/dbraw/zinc/46/67/00/524466700.db2.gz MAFRSPHSGYSYLA-STQMWFEESA-N 2 0 255.406 1.365 10 0 CDAERP C[C@H](C[NH2+]C[C@@H]1CCCO1)N(C)CC[NH+]1CCCC1 ZINC000063054333 524484053 /nfs/dbraw/zinc/48/40/53/524484053.db2.gz DKEJRKSPLXZXJC-CABCVRRESA-N 2 0 269.433 1.171 10 0 CDAERP C[C@@H](C[NH2+]C1CCCC1)N1CCC[C@@H]1C[NH+](C)C ZINC000061655057 524735712 /nfs/dbraw/zinc/73/57/12/524735712.db2.gz SEUIOFZWMAUDLJ-DZGCQCFKSA-N 2 0 253.434 1.933 10 0 CDAERP CC(C)C[N@H+]1CC=C(CNC(=O)C[NH+](C)C(C)C)CC1 ZINC001677636844 1174381113 /nfs/dbraw/zinc/38/11/13/1174381113.db2.gz YBQADBQFCCGTSK-UHFFFAOYSA-N 2 0 281.444 1.731 10 0 CDAERP C[C@H]([NH3+])[C@@H](c1ccsc1)N1CCN(CC[NH+](C)C)CC1 ZINC000061642403 524838821 /nfs/dbraw/zinc/83/88/21/524838821.db2.gz IPPJAZOBYDGLQS-ZFWWWQNUSA-N 2 0 296.484 1.316 10 0 CDAERP C[C@@H]1C[C@@H]([NH3+])CC[C@@H]1C(=O)NCC(C)(C)[NH+](C)C ZINC000055141748 525246403 /nfs/dbraw/zinc/24/64/03/525246403.db2.gz PPSPHWJRFDCQQU-WOPDTQHZSA-N 2 0 255.406 1.206 10 0 CDAERP C[C@@H]1C[C@H]([NH3+])CC[C@@H]1C(=O)NCC1CC[NH+](C)CC1 ZINC000055140223 525417874 /nfs/dbraw/zinc/41/78/74/525417874.db2.gz OQCKXVWOEGDHFN-BNOWGMLFSA-N 2 0 267.417 1.208 10 0 CDAERP COc1ccc2c(c1)[C@H]([NH2+]CCC[NH3+])CCCO2 ZINC000062623912 525586679 /nfs/dbraw/zinc/58/66/79/525586679.db2.gz KYWLMLHCBRAOGX-CYBMUJFWSA-N 2 0 250.342 1.847 10 0 CDAERP Cc1c(C[NH2+]CC2(C)CC[NH+](C)CC2)cnn1C ZINC000227327824 525724713 /nfs/dbraw/zinc/72/47/13/525724713.db2.gz OXYVUJJZPVBGCO-UHFFFAOYSA-N 2 0 250.390 1.550 10 0 CDAERP Cc1oc(CN2CC[NH+](C(C)C)CC2)cc1C[NH3+] ZINC000052480043 526771518 /nfs/dbraw/zinc/77/15/18/526771518.db2.gz AEQXKPOLIAXUAE-UHFFFAOYSA-N 2 0 251.374 1.573 10 0 CDAERP [NH3+]C1CCC([NH+]2CCN(C3CCCC3)CC2)CC1 ZINC000055144691 527140835 /nfs/dbraw/zinc/14/08/35/527140835.db2.gz CUPOWCXLXWUJJT-UHFFFAOYSA-N 2 0 251.418 1.817 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@@H](C(=O)NCC[NH+]2CCCCCC2)C1 ZINC000055161893 527214361 /nfs/dbraw/zinc/21/43/61/527214361.db2.gz WXHFUOMNFVXMOA-HUUCEWRRSA-N 2 0 281.444 1.744 10 0 CDAERP [NH3+][C@H]1CCCC[C@H]1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000062034729 527395808 /nfs/dbraw/zinc/39/58/08/527395808.db2.gz KUJVOTUCXSBDRR-CVEARBPZSA-N 2 0 293.455 1.838 10 0 CDAERP CCCC[C@H](C[NH3+])NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000418441834 535026172 /nfs/dbraw/zinc/02/61/72/535026172.db2.gz IXVOPJXGAGRWAB-MJBXVCDLSA-N 2 0 284.448 1.628 10 0 CDAERP CC[NH+](CC)CCNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105069500 535532326 /nfs/dbraw/zinc/53/23/26/535532326.db2.gz HIEJDQRQKDMKLJ-AWEZNQCLSA-N 2 0 282.432 1.208 10 0 CDAERP CC[NH+](CC)CCNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000416793521 535536570 /nfs/dbraw/zinc/53/65/70/535536570.db2.gz NEADULBFRCCVSJ-CYBMUJFWSA-N 2 0 292.427 1.847 10 0 CDAERP CC[NH+](CC)CCOC1CCN(C(=O)C[C@@H](C)[NH3+])CC1 ZINC000261739840 535543991 /nfs/dbraw/zinc/54/39/91/535543991.db2.gz GLSKHUJHAQSJBI-CYBMUJFWSA-N 2 0 285.432 1.073 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](OC)c1ccccc1 ZINC000422728781 536597139 /nfs/dbraw/zinc/59/71/39/536597139.db2.gz AQHWXSIUUBXEFW-CABCVRRESA-N 2 0 266.385 1.718 10 0 CDAERP COc1ccc(NC(=O)C[C@H](C)[NH2+]CCC[NH3+])cc1 ZINC000437800307 536779155 /nfs/dbraw/zinc/77/91/55/536779155.db2.gz NSSREIDBZBUTNX-NSHDSACASA-N 2 0 265.357 1.351 10 0 CDAERP C[NH2+]C1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000237073058 538270822 /nfs/dbraw/zinc/27/08/22/538270822.db2.gz KVEOIVGJAJHQIR-CQSZACIVSA-N 2 0 261.369 1.287 10 0 CDAERP CCOCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001688876712 1175050255 /nfs/dbraw/zinc/05/02/55/1175050255.db2.gz DBAPTHJXINNAKA-HUUCEWRRSA-N 2 0 297.443 1.040 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCCCCF)C2)C1 ZINC001688916700 1175067489 /nfs/dbraw/zinc/06/74/89/1175067489.db2.gz PPHKHLYYMNRAHW-KFWWJZLASA-N 2 0 299.434 1.562 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001689802629 1175263224 /nfs/dbraw/zinc/26/32/24/1175263224.db2.gz BFZJCVLTNOHISN-ZFWWWQNUSA-N 2 0 299.434 1.514 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)CC[C@@H](C)F ZINC001689969644 1175326113 /nfs/dbraw/zinc/32/61/13/1175326113.db2.gz MNMWKVQNDGAWGU-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP COCCC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001690260079 1175413892 /nfs/dbraw/zinc/41/38/92/1175413892.db2.gz UGQDTVURPOPOFZ-HNNXBMFYSA-N 2 0 297.443 1.089 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCN1CCCC1=O ZINC000925513593 617419135 /nfs/dbraw/zinc/41/91/35/617419135.db2.gz KLKXAGKRGYEFPN-DOOHLRMFSA-N 2 0 265.401 1.104 10 0 CDAERP CC1(C)[C@@H](NC[C@H]2CC[N@@H+](C3CC3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925538368 617476707 /nfs/dbraw/zinc/47/67/07/617476707.db2.gz URJAQRKGCWBHID-OJLVUWQFSA-N 2 0 277.456 1.837 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCOc1ncccc1F ZINC000925587433 617534069 /nfs/dbraw/zinc/53/40/69/617534069.db2.gz YTXPEKYFUOTRMS-ONXXMXGDSA-N 2 0 279.359 1.529 10 0 CDAERP CC1(C)C[C@@H]([NH2+]CC2(CO)CCOCC2)C[C@@H]([NH3+])C1 ZINC000925615735 617560759 /nfs/dbraw/zinc/56/07/59/617560759.db2.gz ICEAEXBCGLDBEN-OLZOCXBDSA-N 2 0 270.417 1.271 10 0 CDAERP c1cnn(CC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925619983 617566747 /nfs/dbraw/zinc/56/67/47/617566747.db2.gz CHHRXZPLEBZGAK-CABCVRRESA-N 2 0 262.401 1.641 10 0 CDAERP C[C@](O)(C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)c1ccsc1 ZINC000925623142 617570368 /nfs/dbraw/zinc/57/03/68/617570368.db2.gz PAZKIDIHKNQBKH-XQQFMLRXSA-N 2 0 266.410 1.815 10 0 CDAERP CC(C)CC[NH+]1CCC([NH2+]C2CC(CC(N)=O)C2)CC1 ZINC000926887003 618028759 /nfs/dbraw/zinc/02/87/59/618028759.db2.gz HWUIEUAFPLTVTE-UHFFFAOYSA-N 2 0 281.444 1.741 10 0 CDAERP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)C1(S(C)(=O)=O)CC1 ZINC000925669304 617626415 /nfs/dbraw/zinc/62/64/15/617626415.db2.gz AGUBDXXSLQCYQA-QJPTWQEYSA-N 2 0 288.457 1.448 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](CO)c2ccc(F)cc2)C12CCC2 ZINC000925692198 617699983 /nfs/dbraw/zinc/69/99/83/617699983.db2.gz QQZIVEORMPMSSW-CFVMTHIKSA-N 2 0 278.371 1.761 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000925785398 617706782 /nfs/dbraw/zinc/70/67/82/617706782.db2.gz KVNYQNWAMDSRRH-YIDVYQOGSA-N 3 0 265.445 1.742 10 0 CDAERP COc1cccc([C@H](C)[NH2+]CCN2CCC([NH3+])CC2)c1 ZINC000925808712 617749229 /nfs/dbraw/zinc/74/92/29/617749229.db2.gz DKAYAZCFHSGZEG-ZDUSSCGKSA-N 2 0 277.412 1.769 10 0 CDAERP C[C@H](N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)[C@H]1CCC[NH2+]1 ZINC000925824798 617803577 /nfs/dbraw/zinc/80/35/77/617803577.db2.gz CLDUPHWHZOXHEV-CRWXNKLISA-N 2 0 269.458 1.296 10 0 CDAERP [NH3+][C@H]1C[C@@H]([NH2+]CCN2CCc3ccccc32)C12CCC2 ZINC000925838093 617868858 /nfs/dbraw/zinc/86/88/58/617868858.db2.gz VNFLQQMJRYPULT-JKSUJKDBSA-N 2 0 271.408 1.909 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC000925506407 618185667 /nfs/dbraw/zinc/18/56/67/618185667.db2.gz RAAFIDXVZDWBLN-ZIAGYGMSSA-N 2 0 275.396 1.781 10 0 CDAERP CC1(C)[C@H](NCC[NH+]2CCCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925507581 618192489 /nfs/dbraw/zinc/19/24/89/618192489.db2.gz APTPTFPMBBGUKL-HZSPNIEDSA-N 2 0 251.418 1.448 10 0 CDAERP O[C@H](Cc1ccccc1)C[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000923426194 618331987 /nfs/dbraw/zinc/33/19/87/618331987.db2.gz LMPXVPKXVPWSJV-MRXNPFEDSA-N 2 0 274.408 1.808 10 0 CDAERP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccns1 ZINC000924962825 618445639 /nfs/dbraw/zinc/44/56/39/618445639.db2.gz CFVOJMLMLYWTGP-NWDGAFQWSA-N 2 0 268.430 1.430 10 0 CDAERP CC[C@H](C[C@@](C)(O)CC)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000924966925 618484648 /nfs/dbraw/zinc/48/46/48/618484648.db2.gz RMSSZQIXRQWSSO-SJORKVTESA-N 2 0 299.503 1.933 10 0 CDAERP [NH3+][C@@H](CC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)C1CC1 ZINC000841850547 618747024 /nfs/dbraw/zinc/74/70/24/618747024.db2.gz DQZTVCPLGLLTAY-LBPRGKRZSA-N 2 0 277.343 1.537 10 0 CDAERP COCC[N@H+](C)CCC[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902745780 625310198 /nfs/dbraw/zinc/31/01/98/625310198.db2.gz VKYMYIRKKWZBQC-AALSBFMBSA-N 2 0 282.428 1.358 10 0 CDAERP CC[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(=O)OC ZINC000895127741 619323855 /nfs/dbraw/zinc/32/38/55/619323855.db2.gz PJFBYXJQCUUPOA-ZDUSSCGKSA-N 2 0 291.395 1.839 10 0 CDAERP C[C@H]1CCC[N@H+](CCNC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC000895739424 619818117 /nfs/dbraw/zinc/81/81/17/619818117.db2.gz APPCWBIRXJPCPB-HOCLYGCPSA-N 2 0 279.428 1.320 10 0 CDAERP CN(C(=O)[C@H]1CC[NH+]1C(C)(C)C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000896989278 620339312 /nfs/dbraw/zinc/33/93/12/620339312.db2.gz QDGZKMGZDAPHNI-ZIAGYGMSSA-N 2 0 279.428 1.554 10 0 CDAERP CC[C@H](C[C@@](C)(O)CC)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000925216988 620564313 /nfs/dbraw/zinc/56/43/13/620564313.db2.gz VDNALBIEQWXOTM-WBVHZDCISA-N 2 0 299.503 1.932 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+][C@@H]2CO[C@@H](C)[C@H]2C)CC1 ZINC000924655040 621636854 /nfs/dbraw/zinc/63/68/54/621636854.db2.gz PIAGXMZRJWPDMF-QLFBSQMISA-N 2 0 269.433 1.027 10 0 CDAERP CCN1CC[NH+](CCCC[NH2+][C@@H]2CO[C@H](C)[C@@H]2C)CC1 ZINC000924663925 621642081 /nfs/dbraw/zinc/64/20/81/621642081.db2.gz YOUUKLJAAIGQLZ-ARFHVFGLSA-N 2 0 283.460 1.417 10 0 CDAERP C[C@H](NC(=[NH2+])NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000899263830 622135645 /nfs/dbraw/zinc/13/56/45/622135645.db2.gz QFOAOMWNCLDAPA-XQQFMLRXSA-N 2 0 282.432 1.398 10 0 CDAERP OC1CC[NH+](CCCN[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000924757835 622293953 /nfs/dbraw/zinc/29/39/53/622293953.db2.gz WBBMORDLEUVRMS-SJORKVTESA-N 2 0 295.471 1.440 10 0 CDAERP O=C(N1CC[NH+](C2CCCC2)CC1)C12CC[NH+](CC1)C2 ZINC000900118622 622705040 /nfs/dbraw/zinc/70/50/40/622705040.db2.gz JFQXYVCPOKKWKP-UHFFFAOYSA-N 2 0 277.412 1.169 10 0 CDAERP CCC[NH+](CCC)CCCNC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900550434 623192836 /nfs/dbraw/zinc/19/28/36/623192836.db2.gz YUHSSHAUQKLLMQ-ZBFHGGJFSA-N 2 0 299.459 1.070 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)Nc2cccc(C[NH+](C)C)c2)CC[N@@H+]1C ZINC000902928927 625649468 /nfs/dbraw/zinc/64/94/68/625649468.db2.gz OXSVPHRTOHSHNU-DOMZBBRYSA-N 2 0 290.411 1.962 10 0 CDAERP CN1CC[C@](O)(C[NH2+][C@H]2CCC[C@H](C3CCOCC3)C2)C1 ZINC000902954122 625688801 /nfs/dbraw/zinc/68/88/01/625688801.db2.gz QQQTVYRPTWMSOO-ULQDDVLXSA-N 2 0 296.455 1.628 10 0 CDAERP C1COC2(CCC([NH2+][C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)CC2)O1 ZINC000902469392 624861100 /nfs/dbraw/zinc/86/11/00/624861100.db2.gz PXOHXQQRIVQPND-YNEHKIRRSA-N 2 0 252.358 1.155 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC(CC(=O)N3CCCC3)CC2)C1 ZINC000903431493 625989937 /nfs/dbraw/zinc/98/99/37/625989937.db2.gz WULAIVVIWHDGEW-JKSUJKDBSA-N 2 0 293.455 1.838 10 0 CDAERP COCC[N@@H+](Cc1cccnc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903454956 626002010 /nfs/dbraw/zinc/00/20/10/626002010.db2.gz OVMLZLJGVKVSQI-HIFRSBDPSA-N 2 0 263.385 1.657 10 0 CDAERP [NH3+]C[C@@H]1CCCN(C[C@H]2CCC[NH2+]2)[C@@H]1C(F)(F)F ZINC000903474282 626004562 /nfs/dbraw/zinc/00/45/62/626004562.db2.gz LHHHYVKIUWNCTN-AXFHLTTASA-N 2 0 265.323 1.340 10 0 CDAERP C(C[NH2+][C@H]1CC[NH2+]C12CCCC2)COC[C@H]1CCCO1 ZINC000903483512 626007051 /nfs/dbraw/zinc/00/70/51/626007051.db2.gz IIKXLOZALTZJHL-CABCVRRESA-N 2 0 282.428 1.836 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC1CC(C)(C)C1)C2 ZINC000903494556 626011349 /nfs/dbraw/zinc/01/13/49/626011349.db2.gz JRQJTBFFSPNXRM-ZENOOKHLSA-N 2 0 280.412 1.635 10 0 CDAERP CO[C@@H](C)c1noc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)n1 ZINC000903496759 626012176 /nfs/dbraw/zinc/01/21/76/626012176.db2.gz BVOLBTKYKKNVKD-OUAUKWLOSA-N 2 0 268.361 1.194 10 0 CDAERP C[C@]1([C@H]2CCC[N@H+](C[C@@H]3CC[C@H]([NH3+])C3)C2)COC(=O)N1 ZINC000903561823 626019954 /nfs/dbraw/zinc/01/99/54/626019954.db2.gz NFAFBBQBNMNGDO-UKTARXLSSA-N 2 0 281.400 1.324 10 0 CDAERP C([C@@H]1CCOC1)[N@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903725251 626065038 /nfs/dbraw/zinc/06/50/38/626065038.db2.gz YJYUZPCFKAWEKA-BPUTZDHNSA-N 2 0 280.412 1.256 10 0 CDAERP C(C1CC1)[NH+](CC1CC1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903728464 626066139 /nfs/dbraw/zinc/06/61/39/626066139.db2.gz BZERJTFSOGFXDC-HOTGVXAUSA-N 2 0 264.413 1.877 10 0 CDAERP C([NH2+][C@H]1CCCC12CCOCC2)[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903757328 626087914 /nfs/dbraw/zinc/08/79/14/626087914.db2.gz CHADRSHSCCMABS-PMPSAXMXSA-N 2 0 294.439 1.694 10 0 CDAERP C(C[N@@H+]1CC[NH2+]CCC12CCOCC2)[C@H]1CCCCO1 ZINC000903818850 626101838 /nfs/dbraw/zinc/10/18/38/626101838.db2.gz WXWMHWJOWAZIQE-OAHLLOKOSA-N 2 0 282.428 1.790 10 0 CDAERP C(C[NH2+]C1CC1)CN1CCOC[C@@H]1C[C@@H]1CCOC1 ZINC000903824611 626104010 /nfs/dbraw/zinc/10/40/10/626104010.db2.gz RTZQVOQIBSSQOS-ZFWWWQNUSA-N 2 0 268.401 1.256 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)cnn1C ZINC000903888525 626123714 /nfs/dbraw/zinc/12/37/14/626123714.db2.gz DZMJGDJZHWROSS-SCRDCRAPSA-N 2 0 296.484 1.672 10 0 CDAERP CCOC(=O)[C@@H]1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903873327 626127222 /nfs/dbraw/zinc/12/72/22/626127222.db2.gz HCDVPDYGZLGUAZ-NUDNTCICSA-N 2 0 280.412 1.792 10 0 CDAERP [NH3+]CCN(Cc1ccccc1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903873726 626127834 /nfs/dbraw/zinc/12/78/34/626127834.db2.gz LOMBOEKTOQWXFX-ALOPSCKCSA-N 2 0 273.424 1.978 10 0 CDAERP COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903912508 626144662 /nfs/dbraw/zinc/14/46/62/626144662.db2.gz GBMLJJFEYZUTKX-VXZLTAEBSA-N 2 0 292.423 1.791 10 0 CDAERP C[C@@]1(C[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC[NH2+]C1 ZINC000903919567 626146776 /nfs/dbraw/zinc/14/67/76/626146776.db2.gz OATAPIIFGBIYQV-JALIKCBVSA-N 3 0 251.418 1.496 10 0 CDAERP c1csc(CC[NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)c1 ZINC000903925162 626148935 /nfs/dbraw/zinc/14/89/35/626148935.db2.gz LERRUZKRPOOIIB-LBPRGKRZSA-N 2 0 291.424 1.596 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@H+]2CC(C)(C)C[C@H]2C)cnn1C ZINC000903930205 626151005 /nfs/dbraw/zinc/15/10/05/626151005.db2.gz UVAKLWIRWFUNFO-TZMCWYRMSA-N 2 0 278.444 1.966 10 0 CDAERP O=C1OCC[C@@]12CCC[N@@H+]2CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903915985 626156681 /nfs/dbraw/zinc/15/66/81/626156681.db2.gz QCSBGNUWQURBRY-FLTXBFBQSA-N 2 0 264.369 1.299 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1nc2ccccc2n1C ZINC000903975074 626169038 /nfs/dbraw/zinc/16/90/38/626169038.db2.gz WKHFEJCJKULACU-CHWSQXEVSA-N 2 0 272.396 1.909 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)[C@H](C)C1 ZINC000903974512 626169064 /nfs/dbraw/zinc/16/90/64/626169064.db2.gz QAGIAPGPSHEMRL-TUVASFSCSA-N 3 0 253.434 1.552 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000903975221 626169661 /nfs/dbraw/zinc/16/96/61/626169661.db2.gz ZICYMVFUJSTFBI-TZMCWYRMSA-N 2 0 276.380 1.793 10 0 CDAERP CC(C)n1nccc1C[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903979056 626170369 /nfs/dbraw/zinc/17/03/69/626170369.db2.gz UIGNRFVKULMXDE-CHWSQXEVSA-N 2 0 250.390 1.799 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H]([C@@]3(C)COC(=O)N3)C2)CC[NH2+]1 ZINC000903986498 626174296 /nfs/dbraw/zinc/17/42/96/626174296.db2.gz LACOLBLTINSGAX-HGTKMLMNSA-N 2 0 295.427 1.585 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=[NH2+])NC[C@@H]2CCCS2)C1 ZINC000905043882 626382588 /nfs/dbraw/zinc/38/25/88/626382588.db2.gz KMUHPLQLYVJQGG-TUAOUCFPSA-N 2 0 270.446 1.336 10 0 CDAERP CC(C)(C)[NH2+]CCCNC(=[NH2+])NC[C@@H]1CCCS1 ZINC000905043808 626382836 /nfs/dbraw/zinc/38/28/36/626382836.db2.gz YTYHAEBAJXTHQN-NSHDSACASA-N 2 0 272.462 1.774 10 0 CDAERP C[C@H](CNC(=[NH2+])NC[C@@H]1CCCS1)C[NH+](C)C ZINC000905049840 626386171 /nfs/dbraw/zinc/38/61/71/626386171.db2.gz RQXSXCAOWUGLTB-MNOVXSKESA-N 2 0 258.435 1.194 10 0 CDAERP [NH3+][C@@H]1CCCCC[C@@H]1c1nc(CC2CC[NH2+]CC2)no1 ZINC000905307906 626757728 /nfs/dbraw/zinc/75/77/28/626757728.db2.gz AEGPKFLQDKCXCR-QWHCGFSZSA-N 2 0 278.400 1.987 10 0 CDAERP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)CCC3(O)CCC3)CC[C@@H]21 ZINC000905940153 627053438 /nfs/dbraw/zinc/05/34/38/627053438.db2.gz LYTUCZLLSMTXFV-OAGGEKHMSA-N 2 0 296.455 1.459 10 0 CDAERP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)C12CC[NH+](CC1)C2 ZINC000907764679 627823029 /nfs/dbraw/zinc/82/30/29/627823029.db2.gz ZDOVKPKDDGBREI-AWEZNQCLSA-N 2 0 277.412 1.215 10 0 CDAERP C[NH+](C)CCCC[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000924852187 630310242 /nfs/dbraw/zinc/31/02/42/630310242.db2.gz FFGUDGMATAHDJN-GJZGRUSLSA-N 3 0 253.434 1.935 10 0 CDAERP CC[C@@H](C(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1)[NH+](C)C ZINC000913269255 630425340 /nfs/dbraw/zinc/42/53/40/630425340.db2.gz ATDSRRJNLRIGFL-NWANDNLSSA-N 2 0 267.417 1.127 10 0 CDAERP C[N@H+](C[C@@H]1CCC2(COC2)O1)C[C@H]1CCC[NH+](C)C1 ZINC000929699088 630708972 /nfs/dbraw/zinc/70/89/72/630708972.db2.gz DYYWBUBWCNVCLH-KBPBESRZSA-N 2 0 268.401 1.208 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1)N1CC[NH+](C)CC1 ZINC000921689628 633183988 /nfs/dbraw/zinc/18/39/88/633183988.db2.gz JGVGCAKNPVDUHD-YYIAUSFCSA-N 2 0 295.471 1.417 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccnn1C1CCC1)N1CC[NH+](C)CC1 ZINC000921691052 633188117 /nfs/dbraw/zinc/18/81/17/633188117.db2.gz ZGOYBRBBQXQDID-AWEZNQCLSA-N 2 0 291.443 1.334 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CCF ZINC001716540658 1158471524 /nfs/dbraw/zinc/47/15/24/1158471524.db2.gz JKGWYIUAIWHTHS-ZDUSSCGKSA-N 2 0 273.396 1.267 10 0 CDAERP CC[NH+]1CCC(C)(NC(=O)C[NH+]2CCCC2)CC1 ZINC001671437366 1158490906 /nfs/dbraw/zinc/49/09/06/1158490906.db2.gz UFRPONWDQQJFLD-UHFFFAOYSA-N 2 0 253.390 1.073 10 0 CDAERP CCC[NH2+]C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001670543528 1158634377 /nfs/dbraw/zinc/63/43/77/1158634377.db2.gz CONOBLWKUHZQAG-GXTWGEPZSA-N 2 0 267.417 1.223 10 0 CDAERP CCOCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001691417215 1159065856 /nfs/dbraw/zinc/06/58/56/1159065856.db2.gz UVXMJJLWKQPMPD-OAHLLOKOSA-N 2 0 297.443 1.042 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001267048263 1159099058 /nfs/dbraw/zinc/09/90/58/1159099058.db2.gz VINXCOLQVMZXKM-HOTGVXAUSA-N 2 0 293.455 1.875 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC000167919539 1159287927 /nfs/dbraw/zinc/28/79/27/1159287927.db2.gz KVSCQNXOZRZWCG-ZDUSSCGKSA-N 2 0 255.406 1.175 10 0 CDAERP CC[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CCCF ZINC001267819734 1159605691 /nfs/dbraw/zinc/60/56/91/1159605691.db2.gz HMHCIVSMVPPLHU-QWHCGFSZSA-N 2 0 273.396 1.172 10 0 CDAERP CC[C@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)C(C)C ZINC001481683036 1159873091 /nfs/dbraw/zinc/87/30/91/1159873091.db2.gz MEZJCWLEBIPHEM-KKUMJFAQSA-N 2 0 281.444 1.658 10 0 CDAERP CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001268556913 1159970090 /nfs/dbraw/zinc/97/00/90/1159970090.db2.gz PSKVLBIBSPXZDO-VQGNRHNMSA-N 2 0 279.428 1.675 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)C[NH2+]C/C=C/Cl)[NH+](C)C ZINC001482113479 1159982936 /nfs/dbraw/zinc/98/29/36/1159982936.db2.gz NWEFLMIUVYCESW-FNSAGKMKSA-N 2 0 275.824 1.421 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+]CC2CC2)C1 ZINC001691541388 1160658034 /nfs/dbraw/zinc/65/80/34/1160658034.db2.gz UYAUJTDKRWGYDR-HDJSIYSDSA-N 2 0 267.417 1.221 10 0 CDAERP C[C@@H]1C[C@@H]1NC(=[NH2+])NCCC[N@@H+]1CCCC[C@@H]1C ZINC000864450130 1164543454 /nfs/dbraw/zinc/54/34/54/1164543454.db2.gz FXRJFJKSUOFLHB-AGIUHOORSA-N 2 0 252.406 1.773 10 0 CDAERP c1nc(C[NH2+]CCCC[NH+]2CCOCC2)cn1C1CC1 ZINC000865416434 1164645143 /nfs/dbraw/zinc/64/51/43/1164645143.db2.gz ZWQFYUQDCFCJAJ-UHFFFAOYSA-N 2 0 278.400 1.420 10 0 CDAERP CC[C@@H](C[C@H](C)O)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000866637557 1164800202 /nfs/dbraw/zinc/80/02/02/1164800202.db2.gz WYCIOUNDJPRTSK-JSGCOSHPSA-N 2 0 254.418 2.000 10 0 CDAERP CCC1(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCC1 ZINC000870020398 1165133292 /nfs/dbraw/zinc/13/32/92/1165133292.db2.gz PDMWJNZSKQAYNF-HUUCEWRRSA-N 2 0 295.471 1.765 10 0 CDAERP [NH3+][C@H]1CC[C@H](C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)CC1 ZINC000870852715 1165221958 /nfs/dbraw/zinc/22/19/58/1165221958.db2.gz LOELVWRGTXROKT-KBUPBQIOSA-N 2 0 279.428 1.495 10 0 CDAERP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000872145671 1165385765 /nfs/dbraw/zinc/38/57/65/1165385765.db2.gz WFYAYMIEKDRTMM-FQUUOJAGSA-N 2 0 252.402 1.922 10 0 CDAERP CC[NH+](CC)CCCCNC(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001621301751 1165685602 /nfs/dbraw/zinc/68/56/02/1165685602.db2.gz XAQGXWOEUUFRSZ-CQSZACIVSA-N 2 0 287.423 1.659 10 0 CDAERP CCN1CC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC001634074639 1166468273 /nfs/dbraw/zinc/46/82/73/1166468273.db2.gz RIMBMGXYAFRISP-OLZOCXBDSA-N 2 0 253.390 1.023 10 0 CDAERP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000354584173 1167338185 /nfs/dbraw/zinc/33/81/85/1167338185.db2.gz WYQMGQBSYSFIDT-JYJNAYRXSA-N 2 0 295.471 1.907 10 0 CDAERP [NH3+][C@H]1CCCC[C@@H]1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC001645892452 1167556147 /nfs/dbraw/zinc/55/61/47/1167556147.db2.gz DSERQJJLUMGPGR-GJZGRUSLSA-N 2 0 279.428 1.495 10 0 CDAERP Cc1n[nH]c(=O)c(CN[C@H]2CC[N@@H+](C)C(C)(C)C2)c1C ZINC001647310955 1168548504 /nfs/dbraw/zinc/54/85/04/1168548504.db2.gz DQEICFVVFIWMOX-LBPRGKRZSA-N 2 0 278.400 1.761 10 0 CDAERP C[C@@H]1C[C@@H]2CC[C@H](C(=O)NC[C@@H](C3CC3)[NH+](C)C)C[N@@H+]2C1 ZINC001649284314 1169169158 /nfs/dbraw/zinc/16/91/58/1169169158.db2.gz MRGHBHMORYFWMB-OEAJRASXSA-N 2 0 293.455 1.563 10 0 CDAERP CC(C)[NH2+]C/C=C/CNC(=O)CC1CC[NH+](C)CC1 ZINC001568930829 1169553832 /nfs/dbraw/zinc/55/38/32/1169553832.db2.gz OVRZFILXUOLBKH-SNAWJCMRSA-N 2 0 267.417 1.389 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+]CCC2CCCC2)C1 ZINC001568964022 1169566349 /nfs/dbraw/zinc/56/63/49/1169566349.db2.gz MXHBZTXFCZNGPM-APHBUQMISA-N 2 0 293.455 1.780 10 0 CDAERP C[C@@H]([NH2+]CCCF)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001569820123 1170005442 /nfs/dbraw/zinc/00/54/42/1170005442.db2.gz PYZPFRMMWNLTMC-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@H]([NH2+]CCCF)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001569820120 1170005841 /nfs/dbraw/zinc/00/58/41/1170005841.db2.gz PYZPFRMMWNLTMC-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CC2CC2)C1 ZINC001570364037 1170143191 /nfs/dbraw/zinc/14/31/91/1170143191.db2.gz MGKQKXHECCYYDV-GXTWGEPZSA-N 2 0 267.417 1.173 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001656160384 1171782483 /nfs/dbraw/zinc/78/24/83/1171782483.db2.gz FGWUVMCOSPZUNR-OAGGEKHMSA-N 2 0 293.455 1.779 10 0 CDAERP O=C(N[C@H]1C[C@H]([NH2+]CCCCCF)C1)C12CC[NH+](CC1)C2 ZINC001661495535 1172398787 /nfs/dbraw/zinc/39/87/87/1172398787.db2.gz DHHVLMHMYAVCOJ-HDJSIYSDSA-N 2 0 297.418 1.459 10 0 CDAERP CCCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001662607295 1172565019 /nfs/dbraw/zinc/56/50/19/1172565019.db2.gz AZJZMDIPKUTYEB-KGLIPLIRSA-N 2 0 267.417 1.319 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]C[C@H](C)OC ZINC001669206606 1173517491 /nfs/dbraw/zinc/51/74/91/1173517491.db2.gz GIKFHUIRPZJTQM-NHQLZKDQSA-N 2 0 297.443 1.158 10 0 CDAERP CC/C=C/CC[NH2+]C[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001669293917 1173533946 /nfs/dbraw/zinc/53/39/46/1173533946.db2.gz UKRSPSPLFMHQOC-SBAHZNLJSA-N 2 0 293.455 1.779 10 0 CDAERP CCC[NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001672286531 1173763767 /nfs/dbraw/zinc/76/37/67/1173763767.db2.gz IYKXWEPTYQMQSV-KBPBESRZSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001675786695 1174149923 /nfs/dbraw/zinc/14/99/23/1174149923.db2.gz WRERWTRVSDTADM-AVGNSLFASA-N 2 0 273.396 1.171 10 0 CDAERP CC[N@@H+](C/C=C/Cl)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001689969047 1175325503 /nfs/dbraw/zinc/32/55/03/1175325503.db2.gz FCQZATNEVSPRCW-LVDDQXARSA-N 2 0 287.835 1.519 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001690388348 1175456797 /nfs/dbraw/zinc/45/67/97/1175456797.db2.gz ICPRDHSMZVPLEV-AWEZNQCLSA-N 2 0 269.433 1.422 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH2+]CCCF)C2)CC[N@@H+]1C ZINC001690405784 1175463540 /nfs/dbraw/zinc/46/35/40/1175463540.db2.gz PMXOGNTXXVKLDA-RBSFLKMASA-N 2 0 299.434 1.514 10 0 CDAERP CCOCC[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001691998020 1175663509 /nfs/dbraw/zinc/66/35/09/1175663509.db2.gz IUZPZERMVDKLMW-HNNXBMFYSA-N 2 0 299.459 1.143 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001698578007 1175854608 /nfs/dbraw/zinc/85/46/08/1175854608.db2.gz SKFLAOBPTKGXID-OAHLLOKOSA-N 2 0 281.444 1.805 10 0 CDAERP CCCCC[NH2+]C[C@H](C)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001698858913 1175966306 /nfs/dbraw/zinc/96/63/06/1175966306.db2.gz WPFGUNSLJLNJIT-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@H](F)C[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001699294976 1176202595 /nfs/dbraw/zinc/20/25/95/1176202595.db2.gz DMRSFSRZJFYXPX-YSFHWQLDSA-N 2 0 299.434 1.727 10 0 CDAERP CC1CC[NH+](CC(=O)N(C)CCC[NH2+]CC2CCC2)CC1 ZINC001699540492 1176467717 /nfs/dbraw/zinc/46/77/17/1176467717.db2.gz CAAXOPIHOBSULN-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCCOC)C[C@@H]1C ZINC001699738748 1176597061 /nfs/dbraw/zinc/59/70/61/1176597061.db2.gz MFCRISLTVGIVLA-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CCCO)CCN1C(=O)CCCC[NH+](C)C ZINC001699738751 1176598864 /nfs/dbraw/zinc/59/88/64/1176598864.db2.gz MHBSISNSMZNBAW-CABCVRRESA-N 2 0 299.459 1.070 10 0 CDAERP CC[NH2+]CC[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001700069024 1176738394 /nfs/dbraw/zinc/73/83/94/1176738394.db2.gz YQXAIPAVYVPMMZ-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]C/C=C/Cl ZINC001700415569 1176915570 /nfs/dbraw/zinc/91/55/70/1176915570.db2.gz ABTFAVCBYHOLQI-KKSDUGGKSA-N 2 0 261.797 1.173 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@H](C)[C@H](C)[NH2+]C(C)C ZINC001700424044 1176922174 /nfs/dbraw/zinc/92/21/74/1176922174.db2.gz BNEPSWNSIFLJOE-QWHCGFSZSA-N 2 0 257.422 1.610 10 0 CDAERP CC[C@H](C)C[N@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001700474551 1176963212 /nfs/dbraw/zinc/96/32/12/1176963212.db2.gz QIEAQIXOHAYLFA-QWHCGFSZSA-N 2 0 257.422 1.421 10 0 CDAERP CCCCC[N@H+](C)[C@@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001700482981 1176973397 /nfs/dbraw/zinc/97/33/97/1176973397.db2.gz JDFSUFKLVQERIC-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@@H]1CC[C@@H](C[NH2+]C/C=C/Cl)C1 ZINC001700914496 1177194359 /nfs/dbraw/zinc/19/43/59/1177194359.db2.gz YWHDNTYYPULVHQ-HNCOSLNKSA-N 2 0 299.846 1.709 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]CCCF)C(C)(C)C2)C1 ZINC001700948900 1177204980 /nfs/dbraw/zinc/20/49/80/1177204980.db2.gz WZGLMZHKZWQUKP-CHWSQXEVSA-N 2 0 285.407 1.124 10 0 CDAERP CCC[N@H+](C)CC(=O)NCC1=CC[NH+](CC(C)C)CC1 ZINC001701062326 1177259862 /nfs/dbraw/zinc/25/98/62/1177259862.db2.gz YBGJSRMWRXXSQO-UHFFFAOYSA-N 2 0 281.444 1.733 10 0 CDAERP C[N@H+](CCCNC(=O)C12CCC[NH+](CCC1)C2)CC1CC1 ZINC001707385167 1178008603 /nfs/dbraw/zinc/00/86/03/1178008603.db2.gz IEYCWAHWMIBAGC-UHFFFAOYSA-N 2 0 293.455 1.711 10 0 CDAERP C[N@H+](CCF)CCCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001707409186 1178024640 /nfs/dbraw/zinc/02/46/40/1178024640.db2.gz VBOZILWXZWQKMK-KBPBESRZSA-N 2 0 285.407 1.411 10 0 CDAERP C[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)CC1=CCCCC1 ZINC001712988285 1178287455 /nfs/dbraw/zinc/28/74/55/1178287455.db2.gz FLJUQEOQCBSLSK-INIZCTEOSA-N 2 0 293.455 1.877 10 0 CDAERP CC[N@H+](CCCNC(=O)C[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001713048309 1178329060 /nfs/dbraw/zinc/32/90/60/1178329060.db2.gz SPWWYRMTTRBIEQ-ZDUSSCGKSA-N 2 0 267.417 1.319 10 0 CDAERP COCC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001713169169 1178410053 /nfs/dbraw/zinc/41/00/53/1178410053.db2.gz APXIAISNBMCVRA-KKUMJFAQSA-N 2 0 297.443 1.134 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001713245645 1178449932 /nfs/dbraw/zinc/44/99/32/1178449932.db2.gz KEJILQWMNBQQHT-CABCVRRESA-N 2 0 299.434 1.659 10 0 CDAERP CC[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1CCCOC)[NH+](C)C ZINC001713252757 1178454453 /nfs/dbraw/zinc/45/44/53/1178454453.db2.gz GKRYLEJPVUSNTP-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCCF)C1 ZINC001713366139 1178522323 /nfs/dbraw/zinc/52/23/23/1178522323.db2.gz WWYFYPYRWDZDFE-HUUCEWRRSA-N 2 0 299.434 1.659 10 0 CDAERP CC[C@H](C)[C@@H]([NH3+])C(=O)NCCC[NH+]1CCCCCC1 ZINC000237065188 1178531043 /nfs/dbraw/zinc/53/10/43/1178531043.db2.gz SNHYMCBEPHQZSV-UONOGXRCSA-N 2 0 269.433 1.742 10 0 CDAERP CCCC[NH2+][C@@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001713419605 1178550567 /nfs/dbraw/zinc/55/05/67/1178550567.db2.gz FFEUPPKSCQCPNJ-ZDUSSCGKSA-N 2 0 267.417 1.367 10 0 CDAERP CC/C=C\CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001713883438 1178813523 /nfs/dbraw/zinc/81/35/23/1178813523.db2.gz BXYKDDMZZSVELE-XETQRACLSA-N 2 0 293.455 1.779 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]C(C)C ZINC001714073920 1178960845 /nfs/dbraw/zinc/96/08/45/1178960845.db2.gz OYQLFSUDWUVELQ-KGLIPLIRSA-N 2 0 267.417 1.221 10 0 CDAERP O=C(CC[NH+]1CCCCC1)NC1(C[NH2+]CCF)CCCC1 ZINC001714150367 1178992082 /nfs/dbraw/zinc/99/20/82/1178992082.db2.gz CKPYGDJUGUMZQT-UHFFFAOYSA-N 2 0 299.434 1.851 10 0 CDAERP CCCC[NH2+][C@@H]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001714411917 1179127839 /nfs/dbraw/zinc/12/78/39/1179127839.db2.gz NHCXVROEKBOKHP-CABCVRRESA-N 2 0 293.455 1.899 10 0 CDAERP CN(CC[NH2+]CC1=CCCCC1)C(=O)C[NH+]1CCCC1 ZINC001714793568 1179400394 /nfs/dbraw/zinc/40/03/94/1179400394.db2.gz BNUYVEGPZJFWAD-UHFFFAOYSA-N 2 0 279.428 1.631 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@](C)(C[NH2+]C/C=C/Cl)C1CC1 ZINC001715119140 1179557794 /nfs/dbraw/zinc/55/77/94/1179557794.db2.gz SGFAJLUBBPPQIZ-PXYYCUNGSA-N 2 0 287.835 1.565 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001715212184 1179578658 /nfs/dbraw/zinc/57/86/58/1179578658.db2.gz AFJWGFLVPZRKKL-MRXNPFEDSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001715228935 1179586306 /nfs/dbraw/zinc/58/63/06/1179586306.db2.gz JFVATCYLTXFVQR-GDBMZVCRSA-N 2 0 293.455 1.636 10 0 CDAERP CCOCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001715312623 1179618192 /nfs/dbraw/zinc/61/81/92/1179618192.db2.gz CAFZMSDRBOFRLA-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP C[C@@H](C[NH2+]CCC1CCCC1)N(C)C(=O)CC[NH+](C)C ZINC001715352672 1179638649 /nfs/dbraw/zinc/63/86/49/1179638649.db2.gz ILWGZGOOBRVILI-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP COCCC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001715520693 1179697593 /nfs/dbraw/zinc/69/75/93/1179697593.db2.gz NHBMLUPTLSRKPZ-HNNXBMFYSA-N 2 0 299.459 1.286 10 0 CDAERP CC[N@H+](C)CCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001715540438 1179709272 /nfs/dbraw/zinc/70/92/72/1179709272.db2.gz VNWAPZOJOZAHSZ-AWEZNQCLSA-N 2 0 269.433 1.517 10 0 CDAERP C[C@H](CC[NH2+]C/C=C\Cl)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001715649325 1179752224 /nfs/dbraw/zinc/75/22/24/1179752224.db2.gz SLZTZEVAURHWJR-ITZRZTJGSA-N 2 0 287.835 1.564 10 0 CDAERP C[C@H](CC[NH2+]CC1CC1)NC(=O)C1([NH+](C)C)CCC1 ZINC001715656903 1179754681 /nfs/dbraw/zinc/75/46/81/1179754681.db2.gz RPGWGAUNIUFOHE-GFCCVEGCSA-N 2 0 267.417 1.365 10 0 CDAERP CCN(CC[NH2+]CC1CC1)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001715735337 1179785419 /nfs/dbraw/zinc/78/54/19/1179785419.db2.gz UIDLYMHZLFXSMG-OAHLLOKOSA-N 2 0 281.444 1.707 10 0 CDAERP CCC[NH2+]C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001715980678 1179962057 /nfs/dbraw/zinc/96/20/57/1179962057.db2.gz MXGJJVYZORXVOD-ZDUSSCGKSA-N 2 0 267.417 1.367 10 0 CDAERP CCCC[NH2+]C/C=C/CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001716295301 1180146506 /nfs/dbraw/zinc/14/65/06/1180146506.db2.gz MYEMPDLXHVALMG-MBVDDHJVSA-N 2 0 279.428 1.390 10 0 CDAERP CC1CC(C[NH2+]C/C=C/CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001716375034 1180172766 /nfs/dbraw/zinc/17/27/66/1180172766.db2.gz BVWSFKNXVKVYTB-BJUWTEMJSA-N 2 0 279.428 1.246 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC/C=C/C[NH2+]C[C@H]1CC[C@@H](C)O1 ZINC001716379841 1180174001 /nfs/dbraw/zinc/17/40/01/1180174001.db2.gz VQVPNQCGVHCZIG-XEVLESSRSA-N 2 0 297.443 1.156 10 0 CDAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC1CC1 ZINC001716395577 1180183989 /nfs/dbraw/zinc/18/39/89/1180183989.db2.gz WNEQNWAGMGUNRA-OCCSQVGLSA-N 2 0 267.417 1.364 10 0 CDAERP C[C@@H](C[NH2+]CCCF)NC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001716456045 1180220605 /nfs/dbraw/zinc/22/06/05/1180220605.db2.gz UQVXMQHUQNDAED-QWRGUYRKSA-N 2 0 270.352 1.042 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]CC[C@H]1CCCCO1 ZINC001716465981 1180226169 /nfs/dbraw/zinc/22/61/69/1180226169.db2.gz QWFSKPGSYJPSPX-LSDHHAIUSA-N 2 0 299.459 1.380 10 0 CDAERP Cc1conc1C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001716532887 1180273212 /nfs/dbraw/zinc/27/32/12/1180273212.db2.gz YNUWQQSLXZLLIT-AWEZNQCLSA-N 2 0 294.399 1.015 10 0 CDAERP C[C@@H]1C[C@@H](C[NH2+]CCCN(C)C(=O)CC[NH+](C)C)CCO1 ZINC001716565197 1180286568 /nfs/dbraw/zinc/28/65/68/1180286568.db2.gz YNWVMGSJSGSXBY-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H](C)C1 ZINC001716765060 1180405997 /nfs/dbraw/zinc/40/59/97/1180405997.db2.gz SQYXWJZWNODNKG-KBPBESRZSA-N 2 0 269.433 1.707 10 0 CDAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+](C)CC1CC1 ZINC001717487270 1180703169 /nfs/dbraw/zinc/70/31/69/1180703169.db2.gz HNRPXVGITBBOOM-CHWSQXEVSA-N 2 0 267.417 1.175 10 0 CDAERP CC(C)C[NH2+]CCC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001717691814 1180791924 /nfs/dbraw/zinc/79/19/24/1180791924.db2.gz JZKCJFRTNBITEH-GJZGRUSLSA-N 2 0 283.460 1.859 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000166639968 1181113519 /nfs/dbraw/zinc/11/35/19/1181113519.db2.gz NBSKJCLGBQIVRZ-STQMWFEESA-N 2 0 255.406 1.352 10 0 CDAERP CC[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)CC2CCCC2)C1 ZINC000300073066 1181486636 /nfs/dbraw/zinc/48/66/36/1181486636.db2.gz ZQYHCXRTIRVWOQ-HUUCEWRRSA-N 2 0 254.418 1.859 10 0 CDAERP CC[NH2+]CCCN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001723121706 1181518982 /nfs/dbraw/zinc/51/89/82/1181518982.db2.gz BANWGOFRRLEJJD-UHFFFAOYSA-N 2 0 257.422 1.422 10 0 CDAERP O=C(N[C@@H](C[NH2+]CCF)C1CCCC1)C12CC[NH+](CC1)C2 ZINC001724103334 1181635771 /nfs/dbraw/zinc/63/57/71/1181635771.db2.gz OYKZZUBUOVQFLV-AWEZNQCLSA-N 2 0 297.418 1.316 10 0 CDAERP CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001724709901 1181731888 /nfs/dbraw/zinc/73/18/88/1181731888.db2.gz GOKJCWUXKWJNTG-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H]([NH2+]CC1CCC1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001725106906 1181864491 /nfs/dbraw/zinc/86/44/91/1181864491.db2.gz KDMIUOMGXRVWFW-NEPJUHHUSA-N 2 0 255.406 1.221 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC=C(C)C)[C@H]1C ZINC001725694485 1182099581 /nfs/dbraw/zinc/09/95/81/1182099581.db2.gz ZOGMJDQWHBXZQR-CABCVRRESA-N 2 0 281.444 1.873 10 0 CDAERP COC[C@H](C)[N@H+](C)CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001731259416 1182278228 /nfs/dbraw/zinc/27/82/28/1182278228.db2.gz KSXKACYGHIHCFZ-AWEZNQCLSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NC[C@H]([NH2+]CCCF)C2CC2)CC[N@@H+]1C ZINC001731403653 1182363192 /nfs/dbraw/zinc/36/31/92/1182363192.db2.gz WDKVOULEDLRTNS-QEJZJMRPSA-N 2 0 299.434 1.561 10 0 CDAERP CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)C1CC1 ZINC001731410410 1182370195 /nfs/dbraw/zinc/37/01/95/1182370195.db2.gz DXLSFVHYVWKLEX-UONOGXRCSA-N 2 0 267.417 1.365 10 0 CDAERP CCOCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001731436788 1182383063 /nfs/dbraw/zinc/38/30/63/1182383063.db2.gz ZLIQKORWFXVRBF-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001731524255 1182433898 /nfs/dbraw/zinc/43/38/98/1182433898.db2.gz GDGQTYBIXCMQGQ-OAHLLOKOSA-N 2 0 283.460 1.812 10 0 CDAERP CC[NH2+]C[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001731683845 1182516918 /nfs/dbraw/zinc/51/69/18/1182516918.db2.gz CUQQWXPYXHFXIU-OAHLLOKOSA-N 2 0 281.444 1.711 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001731860316 1182634077 /nfs/dbraw/zinc/63/40/77/1182634077.db2.gz ZHAPNAIDCAOSDG-HNNXBMFYSA-N 2 0 281.444 1.733 10 0 CDAERP CN(CC[NH2+]Cc1ccns1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001731975584 1182710726 /nfs/dbraw/zinc/71/07/26/1182710726.db2.gz YDVLFQZOXIVDBC-GFCCVEGCSA-N 2 0 296.440 1.033 10 0 CDAERP Cc1cccc(C[NH2+]CCN(C)C(=O)C[NH+]2CCCC2)c1 ZINC001731985987 1182714593 /nfs/dbraw/zinc/71/45/93/1182714593.db2.gz XXIHWAGHYZLOMZ-UHFFFAOYSA-N 2 0 289.423 1.639 10 0 CDAERP CCCCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001732344211 1182917048 /nfs/dbraw/zinc/91/70/48/1182917048.db2.gz UNQSXJYSIGWMBB-GDBMZVCRSA-N 2 0 295.471 1.860 10 0 CDAERP Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)CC[NH+](C)C)cc1 ZINC001732725828 1183100982 /nfs/dbraw/zinc/10/09/82/1183100982.db2.gz JCSHENUMBYAGNC-HNNXBMFYSA-N 2 0 291.439 1.931 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CCF ZINC001732873259 1183165660 /nfs/dbraw/zinc/16/56/60/1183165660.db2.gz JWCCZJVYBKVFSI-VQTKUKTRSA-N 2 0 285.407 1.338 10 0 CDAERP CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001732908409 1183181203 /nfs/dbraw/zinc/18/12/03/1183181203.db2.gz MFBIWUVDGWVTKX-LFAOLKIESA-N 2 0 281.444 1.921 10 0 CDAERP CC(C)C[NH2+]C/C=C/CNC(=O)CC[NH+]1CCCCC1 ZINC001732938730 1183191756 /nfs/dbraw/zinc/19/17/56/1183191756.db2.gz DXEVKQOBURYIQC-SNAWJCMRSA-N 2 0 281.444 1.780 10 0 CDAERP CN(CCC[NH2+]CC1CCC1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001733109186 1183294344 /nfs/dbraw/zinc/29/43/44/1183294344.db2.gz XCQPIEFOBBRENH-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CCCF)C1 ZINC001733556080 1183466055 /nfs/dbraw/zinc/46/60/55/1183466055.db2.gz GBHYPHCOCKGHOC-KGLIPLIRSA-N 2 0 287.423 1.372 10 0 CDAERP CCCC[NH2+]CC[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001733673336 1183494357 /nfs/dbraw/zinc/49/43/57/1183494357.db2.gz QDUQPOVGIRPFIJ-HOTGVXAUSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCCF ZINC001734290468 1183714841 /nfs/dbraw/zinc/71/48/41/1183714841.db2.gz JJYRYTQLYVZDCM-ZIAGYGMSSA-N 2 0 287.423 1.418 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCOC(C)C)[C@@H]1C ZINC001734404365 1183764406 /nfs/dbraw/zinc/76/44/06/1183764406.db2.gz RWAPXAROZUVWPG-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP CCC[NH2+]C[C@@H](NC(=O)C1CC[NH+](C)CC1)C(C)(C)C ZINC001734569663 1183828659 /nfs/dbraw/zinc/82/86/59/1183828659.db2.gz IZIVTCCGAIZOHT-CQSZACIVSA-N 2 0 283.460 1.859 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1ccc2c(c1)COC2 ZINC000863554320 1164490628 /nfs/dbraw/zinc/49/06/28/1164490628.db2.gz WLCMSFHTQALKKC-UHFFFAOYSA-N 2 0 264.369 1.385 10 0 CDAERP C[NH+](C)C1(C)CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000868361926 1164937192 /nfs/dbraw/zinc/93/71/92/1164937192.db2.gz KRDGBYPFRBHTEL-BBBYJDLNSA-N 2 0 296.459 1.643 10 0 CDAERP C[C@H]1C[C@@H](N(C)C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC[N@@H+]1C ZINC000870893155 1165229461 /nfs/dbraw/zinc/22/94/61/1165229461.db2.gz QKHLCGMLOBLTLC-KBRXKUPHSA-N 2 0 265.401 1.055 10 0 CDAERP CC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)[C@H]1CCCOC1 ZINC000872033165 1165373543 /nfs/dbraw/zinc/37/35/43/1165373543.db2.gz GATALIXMEFYXEX-PMPSAXMXSA-N 2 0 283.460 1.417 10 0 CDAERP C[C@@H]1OCC[C@@H]1C[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872150660 1165385928 /nfs/dbraw/zinc/38/59/28/1165385928.db2.gz YPNXWIHJSPOWBA-VLEAKVRGSA-N 2 0 266.307 1.480 10 0 CDAERP [NH3+][C@@H](C[C@@H]1CCC[N@H+](CC(=O)NC2CC2)C1)C1CCCC1 ZINC000872158193 1165388469 /nfs/dbraw/zinc/38/84/69/1165388469.db2.gz ZKYJDCATACWHPH-BBRMVZONSA-N 2 0 293.455 1.885 10 0 CDAERP C[C@@H](CC[NH2+]C[C@@H](O)CC(C)(C)O)[NH+]1CCCCC1 ZINC000872206114 1165394766 /nfs/dbraw/zinc/39/47/66/1165394766.db2.gz OKXPWJNYIFZQNN-KBPBESRZSA-N 2 0 272.433 1.362 10 0 CDAERP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000872289975 1165411349 /nfs/dbraw/zinc/41/13/49/1165411349.db2.gz HNBHBKSOCBAQSH-LZWOXQAQSA-N 2 0 279.428 1.496 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)CCC1CC1 ZINC001570701958 1167583037 /nfs/dbraw/zinc/58/30/37/1167583037.db2.gz IMINHTDLBRDTNN-JSGCOSHPSA-N 2 0 267.417 1.317 10 0 CDAERP CC(C)(C[NH2+]C[C@H](O)C[NH+]1CCCC1)C(C)(F)F ZINC000696614305 905433021 /nfs/dbraw/zinc/43/30/21/905433021.db2.gz JFCFFUAFHRQRKP-NSHDSACASA-N 2 0 264.360 1.714 10 0 CDAERP O=C(CCC[NH+]1CCCC1)N1CCC[C@H](C[NH2+]CCF)C1 ZINC001566913262 1168465018 /nfs/dbraw/zinc/46/50/18/1168465018.db2.gz NYTJLDIZWOUPGX-OAHLLOKOSA-N 2 0 299.434 1.660 10 0 CDAERP CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]CCCF)[NH+](C)C ZINC001567073016 1168547282 /nfs/dbraw/zinc/54/72/82/1168547282.db2.gz QVLIHXFQLRDBOM-RYUDHWBXSA-N 2 0 261.385 1.027 10 0 CDAERP CCOCCC[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001567199296 1168616986 /nfs/dbraw/zinc/61/69/86/1168616986.db2.gz VFFPOUGVJHZECG-OAHLLOKOSA-N 2 0 299.459 1.288 10 0 CDAERP C([C@@H]1C[C@@H]2COC[C@@H]2O1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000929718923 913092650 /nfs/dbraw/zinc/09/26/50/913092650.db2.gz KJYDDPZJKBMRBL-YVSFHVDLSA-N 2 0 294.439 1.598 10 0 CDAERP CCC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001272547152 913411460 /nfs/dbraw/zinc/41/14/60/913411460.db2.gz VTCNRSXGMKKAJI-JYJNAYRXSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001266244551 893900935 /nfs/dbraw/zinc/90/09/35/893900935.db2.gz RMAZCDHQWRSHEF-HUUCEWRRSA-N 2 0 281.444 1.709 10 0 CDAERP CCCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001266248603 893912482 /nfs/dbraw/zinc/91/24/82/893912482.db2.gz PERDGMYBDUPXOQ-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP CCCCCC[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001266659492 895711328 /nfs/dbraw/zinc/71/13/28/895711328.db2.gz DGKGMPHCGGRHPF-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]CCCCCF)C2)C1 ZINC001266713271 895889857 /nfs/dbraw/zinc/88/98/57/895889857.db2.gz VEAATDLVMJFCMV-KFWWJZLASA-N 2 0 299.434 1.705 10 0 CDAERP C([NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000723645594 896096376 /nfs/dbraw/zinc/09/63/76/896096376.db2.gz HNUONUDHWMJYGU-KBUPBQIOSA-N 2 0 252.402 1.781 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)CC1 ZINC000723666857 896120496 /nfs/dbraw/zinc/12/04/96/896120496.db2.gz SDEZWPSBLLDWAZ-SOUVJXGZSA-N 2 0 282.428 1.238 10 0 CDAERP COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1O ZINC000723920188 896270396 /nfs/dbraw/zinc/27/03/96/896270396.db2.gz SDWDPOZWXGWHBD-DGCLKSJQSA-N 2 0 264.369 1.818 10 0 CDAERP CCC[C@@H](C)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723920893 896275909 /nfs/dbraw/zinc/27/59/09/896275909.db2.gz AUBKNVXMSMOMRP-AAVRWANBSA-N 2 0 269.433 1.596 10 0 CDAERP CC(C)(C(=O)N1CC[C@H](C[NH2+]CCF)C1)[NH+]1CCCC1 ZINC001267053437 896642693 /nfs/dbraw/zinc/64/26/93/896642693.db2.gz OPKRKFHOSQISJX-CYBMUJFWSA-N 2 0 285.407 1.268 10 0 CDAERP O[C@H](C[NH2+]CCC1SCCS1)C[NH+]1CCCC1 ZINC000693780978 897304915 /nfs/dbraw/zinc/30/49/15/897304915.db2.gz DGIHJIAVLMHGKG-LLVKDONJSA-N 2 0 276.471 1.229 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccsc2)C12CCC2 ZINC000405388569 897604811 /nfs/dbraw/zinc/60/48/11/897604811.db2.gz FRPAGLSJQGMBRE-QJPTWQEYSA-N 2 0 252.383 1.641 10 0 CDAERP CC(C)C[NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001267428731 897894230 /nfs/dbraw/zinc/89/42/30/897894230.db2.gz ABCOQGGITUQHGQ-CYBMUJFWSA-N 2 0 255.406 1.032 10 0 CDAERP CN(CC[NH2+]CC1CCCC1)C(=O)C12CC[NH+](CC1)C2 ZINC001567590491 1168877424 /nfs/dbraw/zinc/87/74/24/1168877424.db2.gz ASFGHJIJKUFDLM-UHFFFAOYSA-N 2 0 279.428 1.320 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@]12CC[NH+](C1)CCC2)CC(C)C ZINC001481014635 898499188 /nfs/dbraw/zinc/49/91/88/898499188.db2.gz UMMMDISMZRMUFD-INIZCTEOSA-N 2 0 281.444 1.566 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CCC[C@H]1CNC(=O)CCc1c[nH]cn1 ZINC001481044043 898677024 /nfs/dbraw/zinc/67/70/24/898677024.db2.gz XQFDBEXHWHSCJF-HIFRSBDPSA-N 2 0 292.427 1.969 10 0 CDAERP CC[C@H](C[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C(C)C)OC ZINC001481070121 898729749 /nfs/dbraw/zinc/72/97/49/898729749.db2.gz GWJRKHXPQRQCGU-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001420022136 898980254 /nfs/dbraw/zinc/98/02/54/898980254.db2.gz XENNDHJRJPABMK-KGLIPLIRSA-N 2 0 287.423 1.513 10 0 CDAERP CN(CC[NH2+]CCC1CC1)C(=O)C12CCC[NH+](CCC1)C2 ZINC001481245392 899625131 /nfs/dbraw/zinc/62/51/31/899625131.db2.gz ILDAXNNUAPUWJR-UHFFFAOYSA-N 2 0 293.455 1.711 10 0 CDAERP CCCC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001267809370 899784212 /nfs/dbraw/zinc/78/42/12/899784212.db2.gz KJVGXOSQFLDBJY-KGLIPLIRSA-N 2 0 269.433 1.755 10 0 CDAERP CC(C)O[C@]1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CCOC1 ZINC000722342994 900946485 /nfs/dbraw/zinc/94/64/85/900946485.db2.gz CCCGTIQTONCADA-ZNMIVQPWSA-N 2 0 270.417 1.643 10 0 CDAERP C[C@H](C[NH2+]C/C=C/Cl)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001268056620 901026745 /nfs/dbraw/zinc/02/67/45/901026745.db2.gz TYNKIBAXLMKLBV-BAEOLTKYSA-N 2 0 273.808 1.270 10 0 CDAERP Cc1cccc(C[NH2+]CC[C@@H](C)NC(=O)CC[NH+](C)C)c1 ZINC001268396304 901990776 /nfs/dbraw/zinc/99/07/76/901990776.db2.gz IEHYSFKZAQYYKU-OAHLLOKOSA-N 2 0 291.439 1.931 10 0 CDAERP CC[C@@H](C[NH2+]CC[C@@H](C)NC(=O)C1CC[NH+](C)CC1)OC ZINC001268396386 901993049 /nfs/dbraw/zinc/99/30/49/901993049.db2.gz IUDWGMJWGYLWEY-HIFRSBDPSA-N 2 0 299.459 1.238 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C2CC2)[NH+](C)C)C1 ZINC001361667954 902459888 /nfs/dbraw/zinc/45/98/88/902459888.db2.gz VCEKHQWTQJTKMQ-CABCVRRESA-N 2 0 281.444 1.563 10 0 CDAERP CN(CC[N@H+](C)CCCF)C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001422172924 902725105 /nfs/dbraw/zinc/72/51/05/902725105.db2.gz CBFMSWATAGQSPR-GJZGRUSLSA-N 2 0 299.434 1.753 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001482162345 902781672 /nfs/dbraw/zinc/78/16/72/902781672.db2.gz UKUQZJCOGUDTIM-LSDHHAIUSA-N 2 0 283.460 1.881 10 0 CDAERP C[C@@H](F)CC[NH2+]CCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001268915018 903242436 /nfs/dbraw/zinc/24/24/36/903242436.db2.gz HMQDIHWWXZUBBO-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP C[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCCCCF)C2)CC1 ZINC001269061226 903380205 /nfs/dbraw/zinc/38/02/05/903380205.db2.gz HABYNVODPBWOQG-HNNXBMFYSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]2[C@H](CC[NH+]2CCCF)C1 ZINC001422250332 903589495 /nfs/dbraw/zinc/58/94/95/903589495.db2.gz SJNMUHOZXTYINE-HUUCEWRRSA-N 2 0 299.434 1.609 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711350210 903854166 /nfs/dbraw/zinc/85/41/66/903854166.db2.gz HTGOCJQVLZTFGK-VXGBXAGGSA-N 2 0 255.406 1.079 10 0 CDAERP CCCCC[NH+]1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001269874621 904172675 /nfs/dbraw/zinc/17/26/75/904172675.db2.gz ADJLMKJMIWDRMV-UHFFFAOYSA-N 2 0 279.428 1.415 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CC[C@H](C)F)[NH+](C)C ZINC001270228428 904458768 /nfs/dbraw/zinc/45/87/68/904458768.db2.gz KYNZVSMXTBEIFD-BFHYXJOUSA-N 2 0 287.423 1.655 10 0 CDAERP CCC[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001270995215 905534424 /nfs/dbraw/zinc/53/44/24/905534424.db2.gz IVFWPTHNVAAFRT-LBPRGKRZSA-N 2 0 255.406 1.317 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]C[C@H]2CN(C3CC3)C(=O)O2)CC[N@@H+]1C ZINC000848572005 906339254 /nfs/dbraw/zinc/33/92/54/906339254.db2.gz SIOOMVCHLTZVBL-WZRBSPASSA-N 2 0 267.373 1.042 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001271528983 906504341 /nfs/dbraw/zinc/50/43/41/906504341.db2.gz DJUFRWJIBJISPY-HUUCEWRRSA-N 2 0 281.444 1.731 10 0 CDAERP C[NH+](C)CC1(C[NH2+]Cc2cc[nH]c(=O)c2)CCCC1 ZINC000921997852 921241156 /nfs/dbraw/zinc/24/11/56/921241156.db2.gz PYCFIGXEDQVXEB-UHFFFAOYSA-N 2 0 263.385 1.999 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1nocc1C)[NH+](C)C ZINC001482875653 908453081 /nfs/dbraw/zinc/45/30/81/908453081.db2.gz XDRIJAHISCMSMB-OCCSQVGLSA-N 2 0 296.415 1.308 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CCC1CC1 ZINC001483012721 908690764 /nfs/dbraw/zinc/69/07/64/908690764.db2.gz UZLYBZZMXZSKHU-CWDCEQMOSA-N 2 0 293.455 1.921 10 0 CDAERP C[N@H+](CC(=O)NC/C=C\C[NH2+]C/C=C/Cl)C1CCC1 ZINC001483019216 908696321 /nfs/dbraw/zinc/69/63/21/908696321.db2.gz WTEJCYQZXNXVDW-JGWPUVKASA-N 2 0 285.819 1.485 10 0 CDAERP C[C@H](C(=O)NC/C=C/C[NH2+]CCF)[NH+]1CCCCCC1 ZINC001483069361 909264203 /nfs/dbraw/zinc/26/42/03/909264203.db2.gz MDPMDTLDLBYAFV-ISZGNANSSA-N 2 0 285.407 1.482 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC1 ZINC000713420279 909613367 /nfs/dbraw/zinc/61/33/67/909613367.db2.gz NEQYXHMUTNCASJ-XUJVJEKNSA-N 2 0 265.401 1.103 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)CCCCC[NH3+] ZINC000237509150 909861058 /nfs/dbraw/zinc/86/10/58/909861058.db2.gz UFAFLIZPBOZPQE-ZDUSSCGKSA-N 2 0 255.406 1.496 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001483197605 909957559 /nfs/dbraw/zinc/95/75/59/909957559.db2.gz MZCUKVSZGRVGSJ-CYBMUJFWSA-N 2 0 255.406 1.387 10 0 CDAERP CC(C)[NH2+][C@@H](CO)CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001507223778 910955846 /nfs/dbraw/zinc/95/58/46/910955846.db2.gz UMJRPELZOBZIAH-CQSZACIVSA-N 2 0 299.459 1.116 10 0 CDAERP CN(CCC[NH2+]Cc1ccns1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001483456108 911142408 /nfs/dbraw/zinc/14/24/08/911142408.db2.gz MPNRTJVVLYJZHN-ZDUSSCGKSA-N 2 0 296.440 1.175 10 0 CDAERP COCC[NH2+]CC[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001568076029 1169132923 /nfs/dbraw/zinc/13/29/23/1169132923.db2.gz KVDONQZRLZELHH-OAHLLOKOSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001483584331 911294339 /nfs/dbraw/zinc/29/43/39/911294339.db2.gz VQUHPIOOYDGPII-OAHLLOKOSA-N 2 0 293.455 1.779 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001483605138 911312550 /nfs/dbraw/zinc/31/25/50/911312550.db2.gz FAAAUPMFIALKCF-OCCSQVGLSA-N 2 0 285.407 1.315 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001483606624 911313252 /nfs/dbraw/zinc/31/32/52/911313252.db2.gz ZRBNCIHHYFRIND-HUUCEWRRSA-N 2 0 279.428 1.389 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]C[C@@H]2CCCCO2)CC1 ZINC001483795501 915072594 /nfs/dbraw/zinc/07/25/94/915072594.db2.gz WCNIKZSRTNPLQE-AWEZNQCLSA-N 2 0 297.443 1.134 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1([NH2+]CCC2CC2)CC1 ZINC001483793469 915074558 /nfs/dbraw/zinc/07/45/58/915074558.db2.gz FZQOSKIINYENKG-ZIAGYGMSSA-N 2 0 293.455 1.898 10 0 CDAERP CCC[N@@H+]1CCC[C@@](CO)(NC(=O)CCCC[NH+](C)C)C1 ZINC001484448371 915790446 /nfs/dbraw/zinc/79/04/46/915790446.db2.gz UUAGQNZHKHYVEV-MRXNPFEDSA-N 2 0 299.459 1.071 10 0 CDAERP C[C@H](CC[NH2+]CC1CCCC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001272688896 916073993 /nfs/dbraw/zinc/07/39/93/916073993.db2.gz SWKPFBLAGNSAMF-HIFRSBDPSA-N 2 0 281.444 1.755 10 0 CDAERP CN(CCC[N@H+](C)CCF)C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001484759914 916122863 /nfs/dbraw/zinc/12/28/63/916122863.db2.gz OXEDXLMSJNBBNR-GJZGRUSLSA-N 2 0 299.434 1.753 10 0 CDAERP CC(C)CC[NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001484896939 916251021 /nfs/dbraw/zinc/25/10/21/916251021.db2.gz FASDVCJCCYQIII-GJZGRUSLSA-N 2 0 283.460 1.811 10 0 CDAERP CC[NH2+][C@@H](C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001485002723 916359390 /nfs/dbraw/zinc/35/93/90/916359390.db2.gz QWRHQGMBICPYKV-KBPBESRZSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001485305717 916820467 /nfs/dbraw/zinc/82/04/67/916820467.db2.gz GJIVUCNNDSKPMP-MGPQQGTHSA-N 2 0 269.433 1.419 10 0 CDAERP CC(C)[NH2+]CCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001485739496 917235303 /nfs/dbraw/zinc/23/53/03/917235303.db2.gz UMQYRAVPJFMWTO-UONOGXRCSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)[NH2+]CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001485739494 917235388 /nfs/dbraw/zinc/23/53/88/917235388.db2.gz UMQYRAVPJFMWTO-KBPBESRZSA-N 2 0 269.433 1.611 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CCC2(CCC[N@@H+]2C)CC1 ZINC001137850222 936421115 /nfs/dbraw/zinc/42/11/15/936421115.db2.gz XXGWYCUNHQUUBC-UHFFFAOYSA-N 2 0 281.444 1.805 10 0 CDAERP O=C(C[C@H]1CC[NH2+]C1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000831088737 936491300 /nfs/dbraw/zinc/49/13/00/936491300.db2.gz LCWXNKUTEVOSGX-QQFBHYJXSA-N 2 0 293.455 1.899 10 0 CDAERP c1cc2c(c(C[NH2+]CCCC[NH+]3CCOCC3)c1)OCC2 ZINC000921537900 918997949 /nfs/dbraw/zinc/99/79/49/918997949.db2.gz SSYNMCPWOUWWAY-UHFFFAOYSA-N 2 0 290.407 1.824 10 0 CDAERP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC([NH2+]C2CCOCC2)C1 ZINC001413581319 936616456 /nfs/dbraw/zinc/61/64/56/936616456.db2.gz KBMSPGZWFYWVJE-LBPRGKRZSA-N 2 0 297.443 1.133 10 0 CDAERP CC(C)CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]1C ZINC001486097625 920696918 /nfs/dbraw/zinc/69/69/18/920696918.db2.gz WXHGEOBYVFTQAB-CABCVRRESA-N 2 0 283.460 1.952 10 0 CDAERP C[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]CCF)C2)CC1 ZINC001486209985 920821247 /nfs/dbraw/zinc/82/12/47/920821247.db2.gz GBDLGWJQMUBJDH-JSGCOSHPSA-N 2 0 285.407 1.172 10 0 CDAERP O=c1cc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc[nH]1 ZINC000921861240 920911588 /nfs/dbraw/zinc/91/15/88/920911588.db2.gz WWQJAGYRAGWNNV-HUUCEWRRSA-N 2 0 291.395 1.255 10 0 CDAERP CC(C)[NH2+]C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001486419920 920991098 /nfs/dbraw/zinc/99/10/98/920991098.db2.gz MLCJMPPIKYPBTB-ZIAGYGMSSA-N 2 0 283.460 1.857 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NCC2=CC[NH+](CCCF)CC2)C1 ZINC001486515873 921090571 /nfs/dbraw/zinc/09/05/71/921090571.db2.gz SKYLNMZECCWKDL-AWEZNQCLSA-N 2 0 297.418 1.436 10 0 CDAERP COc1ccc(CN2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)cc1O ZINC000702425146 922540918 /nfs/dbraw/zinc/54/09/18/922540918.db2.gz ZDNYKGKUVSRWDJ-XJKSGUPXSA-N 2 0 276.380 1.784 10 0 CDAERP C[C@@H]([NH3+])C1CCN(Cc2cc(Cl)n(C)n2)CC1 ZINC000706140081 923037964 /nfs/dbraw/zinc/03/79/64/923037964.db2.gz HCQAKACUAFIRPY-SECBINFHSA-N 2 0 256.781 1.633 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H]2C[NH2+]CC2(C)C)C1 ZINC000711301867 923469610 /nfs/dbraw/zinc/46/96/10/923469610.db2.gz LVCLZJFQELZJHR-STQMWFEESA-N 2 0 267.417 1.175 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@@H]1CC[NH+](C)[C@@H]1C ZINC000923057918 923508181 /nfs/dbraw/zinc/50/81/81/923508181.db2.gz KFLSZXIRFCWZBY-ZIAGYGMSSA-N 2 0 284.448 1.356 10 0 CDAERP COCC[N@@H+](Cc1ccccc1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923298211 923720588 /nfs/dbraw/zinc/72/05/88/923720588.db2.gz UCDXWBRIDWVVJQ-MRXNPFEDSA-N 2 0 290.407 1.514 10 0 CDAERP CC(C)C(=O)NC[C@@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923310895 923737382 /nfs/dbraw/zinc/73/73/82/923737382.db2.gz OCKNCUABBKYNBB-AWEZNQCLSA-N 2 0 281.444 1.613 10 0 CDAERP CC[N@H+](CCc1ccccn1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923322641 923742803 /nfs/dbraw/zinc/74/28/03/923742803.db2.gz QTAKVNJIAZPBAF-HNNXBMFYSA-N 2 0 275.396 1.325 10 0 CDAERP [NH3+]CCC[N@H+](CCO[C@@H]1CCOC1)CC1CCCC1 ZINC000923353734 923776027 /nfs/dbraw/zinc/77/60/27/923776027.db2.gz MFOBIRBENQAADI-OAHLLOKOSA-N 2 0 270.417 1.633 10 0 CDAERP C[C@@H]1C[N@@H+](CCN(C)CCC[NH2+]C2CC2)C[C@H](C)O1 ZINC000923370057 923782506 /nfs/dbraw/zinc/78/25/06/923782506.db2.gz AQUREAMYOAZQGE-OKILXGFUSA-N 2 0 269.433 1.170 10 0 CDAERP C([C@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000923385240 923792539 /nfs/dbraw/zinc/79/25/39/923792539.db2.gz YAEOPPFCOCZEOL-MJBXVCDLSA-N 2 0 250.386 1.629 10 0 CDAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](C[C@@H](O)CC1CCCC1)CC2 ZINC000923438672 923834979 /nfs/dbraw/zinc/83/49/79/923834979.db2.gz BJBLJSQDVXPBMD-JKSUJKDBSA-N 2 0 296.455 1.757 10 0 CDAERP Clc1ccc(OCCN2CC[NH2+]CC[NH2+]CC2)cc1 ZINC000923466103 923844879 /nfs/dbraw/zinc/84/48/79/923844879.db2.gz JMKMKYZHGSFIDM-UHFFFAOYSA-N 2 0 283.803 1.214 10 0 CDAERP [NH3+]CC[C@H]1CC[N@H+](CCOCCOc2ccccc2)C1 ZINC000923485173 923871792 /nfs/dbraw/zinc/87/17/92/923871792.db2.gz GKQLBISJNHQTQV-HNNXBMFYSA-N 2 0 278.396 1.753 10 0 CDAERP Cc1ccc(C)c(OCCCN2CCC[C@@]([NH3+])(CO)C2)c1 ZINC000923484976 923873335 /nfs/dbraw/zinc/87/33/35/923873335.db2.gz UFAUGXJKPMMJJI-KRWDZBQOSA-N 2 0 292.423 1.858 10 0 CDAERP C[C@@H]1CN(Cc2noc(C(C)(C)C)n2)CC[C@@H]1C[NH3+] ZINC000923502291 923881731 /nfs/dbraw/zinc/88/17/31/923881731.db2.gz YQOVDZLZAKDQAP-GHMZBOCLSA-N 2 0 266.389 1.784 10 0 CDAERP C[C@@H]1CN(Cc2nnc(C3CC3)n2C2CC2)CC[C@H]1C[NH3+] ZINC000923495097 923882201 /nfs/dbraw/zinc/88/22/01/923882201.db2.gz SYEIUTLTHRGEEU-YPMHNXCESA-N 2 0 289.427 1.907 10 0 CDAERP O=C1CCCN1CC[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923506413 923885034 /nfs/dbraw/zinc/88/50/34/923885034.db2.gz WOJATJMGKZNFQD-HNNXBMFYSA-N 2 0 293.455 1.711 10 0 CDAERP CC(C)N(C(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1)C(C)C ZINC000923504190 923886305 /nfs/dbraw/zinc/88/63/05/923886305.db2.gz PPHNILVRTPMEPX-KBPBESRZSA-N 2 0 269.433 1.549 10 0 CDAERP CC1CCN(C(=O)C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000923511169 923889364 /nfs/dbraw/zinc/88/93/64/923889364.db2.gz ZZHHCOICNQNWKP-KGLIPLIRSA-N 2 0 267.417 1.162 10 0 CDAERP C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923503695 923892497 /nfs/dbraw/zinc/89/24/97/923892497.db2.gz LAWMZNJQJKATSG-OXGONZEZSA-N 2 0 295.471 1.987 10 0 CDAERP O=C1NCC2(CC[NH+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)O1 ZINC000923527315 923903221 /nfs/dbraw/zinc/90/32/21/923903221.db2.gz MOSDUGUZZHHIHW-AGUYFDCRSA-N 2 0 293.411 1.482 10 0 CDAERP CC(C)[N@H+](C)CC1CC[NH+](C[C@H](O)C2CC2)CC1 ZINC000838816580 936890193 /nfs/dbraw/zinc/89/01/93/936890193.db2.gz FPYBZJWIILJQAY-HNNXBMFYSA-N 2 0 254.418 1.810 10 0 CDAERP COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CCN2CCCC2)C1 ZINC000775814231 925307480 /nfs/dbraw/zinc/30/74/80/925307480.db2.gz WNFKOFAWTBAWOB-UONOGXRCSA-N 2 0 283.416 1.539 10 0 CDAERP C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1)[NH2+]C/C=C/Cl ZINC001410378914 925583207 /nfs/dbraw/zinc/58/32/07/925583207.db2.gz KMYJWJILZRUBSX-CKOMJFDNSA-N 2 0 296.802 1.702 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCCCCCCC[NH+](C)C ZINC000841742653 937013175 /nfs/dbraw/zinc/01/31/75/937013175.db2.gz YZOXDXKNAMRJNF-CHWSQXEVSA-N 2 0 272.437 1.533 10 0 CDAERP [NH3+]CCN(CCc1ccccc1)C(=O)C[C@H]([NH3+])C1CC1 ZINC000841851796 937018322 /nfs/dbraw/zinc/01/83/22/937018322.db2.gz XUOJJKKAYOLAPU-HNNXBMFYSA-N 2 0 275.396 1.144 10 0 CDAERP [NH3+]CCCCCCC[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000842473039 937057823 /nfs/dbraw/zinc/05/78/23/937057823.db2.gz MPLWUZAOPGSJKH-LLVKDONJSA-N 2 0 268.323 1.895 10 0 CDAERP [NH3+]CCCCCC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000842515199 937059691 /nfs/dbraw/zinc/05/96/91/937059691.db2.gz WGNFKNISMOWIHU-UHFFFAOYSA-N 2 0 293.455 1.775 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001488806214 926699493 /nfs/dbraw/zinc/69/94/93/926699493.db2.gz ZTYKILHBGMPOAZ-GASCZTMLSA-N 2 0 283.460 1.857 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)CC(C)C ZINC001490356096 927154929 /nfs/dbraw/zinc/15/49/29/927154929.db2.gz AWWVBXBHJUZADE-AWEZNQCLSA-N 2 0 269.433 1.422 10 0 CDAERP CC(C)=CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001490458400 927191674 /nfs/dbraw/zinc/19/16/74/927191674.db2.gz PEVMZNXRLDNMOI-HNNXBMFYSA-N 2 0 281.444 1.873 10 0 CDAERP CCCC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001490679341 927279878 /nfs/dbraw/zinc/27/98/78/927279878.db2.gz KDYGSMRGJNICCZ-LSDHHAIUSA-N 2 0 281.444 1.755 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]([NH2+]Cc1ccccc1)C1CC1 ZINC001490698888 927306844 /nfs/dbraw/zinc/30/68/44/927306844.db2.gz AKHIXDYKZPJEGS-INIZCTEOSA-N 2 0 289.423 1.623 10 0 CDAERP C[N@H+](CCF)C[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001490774405 927335984 /nfs/dbraw/zinc/33/59/84/927335984.db2.gz BDHLHIPRTFASLH-CQSZACIVSA-N 2 0 297.418 1.222 10 0 CDAERP COC(CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)OC ZINC000851780246 927627398 /nfs/dbraw/zinc/62/73/98/927627398.db2.gz GCIGZUHXQYTULM-ZDUSSCGKSA-N 2 0 256.390 1.413 10 0 CDAERP COC(CC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21)OC ZINC000851860870 927643831 /nfs/dbraw/zinc/64/38/31/927643831.db2.gz OKYVWGMRLJGKIL-MELADBBJSA-N 2 0 286.416 1.179 10 0 CDAERP C[C@@H]([NH3+])c1ccc(NC(=O)C=C2CC[NH2+]CC2)cc1 ZINC000852798553 927873221 /nfs/dbraw/zinc/87/32/21/927873221.db2.gz LGVBNIAMSPITDF-LLVKDONJSA-N 2 0 259.353 1.955 10 0 CDAERP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C=C2CC[NH2+]CC2)C1 ZINC000852884131 927907628 /nfs/dbraw/zinc/90/76/28/927907628.db2.gz FNBJZAZDUFXGSM-HUUCEWRRSA-N 2 0 277.412 1.239 10 0 CDAERP C([NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)C12CC(C1)C[NH2+]2 ZINC000853245965 927988977 /nfs/dbraw/zinc/98/89/77/927988977.db2.gz FEXPIFBMRQJUAE-VFIJVLHUSA-N 2 0 270.467 1.708 10 0 CDAERP CO[C@H](C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)C1CC1 ZINC000693719079 937250700 /nfs/dbraw/zinc/25/07/00/937250700.db2.gz PMZGSPZWXUGOLC-YIYPIFLZSA-N 2 0 252.402 1.778 10 0 CDAERP CC[C@@H]1C[C@H](C[NH2+]CCCN(C)CC[NH+](C)C)CCO1 ZINC000857784079 928749741 /nfs/dbraw/zinc/74/97/41/928749741.db2.gz POCZWOWQKSXLIQ-HZPDHXFCSA-N 2 0 285.476 1.665 10 0 CDAERP COC(=O)N(C)CC[N@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000697555273 937283127 /nfs/dbraw/zinc/28/31/27/937283127.db2.gz XEBMCOPSHTXAEN-NWDGAFQWSA-N 2 0 257.378 1.005 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccco2)[C@@H]2CCC[C@H]21 ZINC000796683359 937311229 /nfs/dbraw/zinc/31/12/29/937311229.db2.gz OLMSCEVAZZECOH-FQUUOJAGSA-N 2 0 264.369 1.775 10 0 CDAERP Cc1c(C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)ccnc1F ZINC000862277508 929397374 /nfs/dbraw/zinc/39/73/74/929397374.db2.gz CZYSWSDYBNXEJZ-CYBMUJFWSA-N 2 0 294.418 1.502 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CC[N@H+](C)[C@H](C(C)(C)C)C1 ZINC000880612754 929726174 /nfs/dbraw/zinc/72/61/74/929726174.db2.gz JQDVHUVUPXSYGW-AWEZNQCLSA-N 2 0 283.460 1.907 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)C[C@@H]([NH3+])C2CC2)CC[N@@H+]1C ZINC000830350448 930331031 /nfs/dbraw/zinc/33/10/31/930331031.db2.gz CHQQRVHQFWQOKV-RAIGVLPGSA-N 2 0 253.390 1.055 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)CC[C@H]21 ZINC001568515287 1169342260 /nfs/dbraw/zinc/34/22/60/1169342260.db2.gz IYMMPMOCDAGESC-HZPDHXFCSA-N 2 0 293.455 1.827 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCc1ccc(Cl)nc1 ZINC000817902255 930625374 /nfs/dbraw/zinc/62/53/74/930625374.db2.gz LUILRYXKLVAVRZ-LBPRGKRZSA-N 2 0 271.792 1.621 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)C[C@@H](O)c1cccs1 ZINC000817914518 930629108 /nfs/dbraw/zinc/62/91/08/930629108.db2.gz ZEDDOHKLTHGRJG-RWMBFGLXSA-N 2 0 286.441 1.904 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@]1(O)CCc2ccccc21 ZINC000817918123 930630472 /nfs/dbraw/zinc/63/04/72/930630472.db2.gz SZXLIYHVYISMGM-ZBFHGGJFSA-N 2 0 278.396 1.164 10 0 CDAERP CCOC(=O)C(F)(F)[C@H]1CC[C@@H]([NH2+]CCC[NH3+])C1 ZINC000817938089 930635196 /nfs/dbraw/zinc/63/51/96/930635196.db2.gz DEHOQQFJQVJPBH-VHSXEESVSA-N 2 0 264.316 1.292 10 0 CDAERP C(C[C@@H]1CCC[NH2+]C1)[NH2+]C1CCC2(CC1)OCCO2 ZINC000817958845 930647107 /nfs/dbraw/zinc/64/71/07/930647107.db2.gz ZQKCNFXEYQCUQV-ZDUSSCGKSA-N 2 0 268.401 1.651 10 0 CDAERP C[C@H](C[NH2+]C[C@H](O)c1ccc(F)cn1)C[NH+]1CCCC1 ZINC000818967051 930748943 /nfs/dbraw/zinc/74/89/43/930748943.db2.gz QXBHPSZQMSIFJH-DOMZBBRYSA-N 2 0 281.375 1.576 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CCCF)C1 ZINC001274298535 931489141 /nfs/dbraw/zinc/48/91/41/931489141.db2.gz OPVFPDVZQMZZHT-OLZOCXBDSA-N 2 0 273.396 1.123 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C[NH2+]CCc1ccns1)[NH+](C)C ZINC001275203799 931695657 /nfs/dbraw/zinc/69/56/57/931695657.db2.gz YMHOFCLKJFHLGA-WCQYABFASA-N 2 0 298.456 1.120 10 0 CDAERP CCc1nn(C)c(Cl)c1C[NH2+]CCC1(C[NH3+])CC1 ZINC000844903562 931722178 /nfs/dbraw/zinc/72/21/78/931722178.db2.gz GILCBCYPOUNIDN-UHFFFAOYSA-N 2 0 270.808 1.855 10 0 CDAERP COC(=O)N1CCC([NH2+]CCC[N@H+](C)CC(C)C)CC1 ZINC000845995626 931957599 /nfs/dbraw/zinc/95/75/99/931957599.db2.gz FPNJHGABLOFQHT-UHFFFAOYSA-N 2 0 285.432 1.785 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC001411748477 931993208 /nfs/dbraw/zinc/99/32/08/931993208.db2.gz ZWMJWEXXVTZVHK-CQSZACIVSA-N 2 0 295.471 1.953 10 0 CDAERP CCCCOC(=O)CN1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000846227475 931998398 /nfs/dbraw/zinc/99/83/98/931998398.db2.gz SGULBSMMKCBCPP-KFWWJZLASA-N 2 0 298.427 1.691 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](C)C(C)C)CC[N@@H+]1C ZINC001275834468 932078948 /nfs/dbraw/zinc/07/89/48/932078948.db2.gz GLVFMQOQDJQSIJ-HZSPNIEDSA-N 2 0 269.433 1.562 10 0 CDAERP CC[N@@H+]1C[C@H](C)N(C(=O)CC[NH+]2CC[C@H](F)C2)C[C@@H]1C ZINC001411972372 932188456 /nfs/dbraw/zinc/18/84/56/932188456.db2.gz DVXITGGPEKFVEO-IHRRRGAJSA-N 2 0 285.407 1.361 10 0 CDAERP CN(CCC[NH2+]CCF)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001276006646 932228344 /nfs/dbraw/zinc/22/83/44/932228344.db2.gz DKEZONIENBQQEZ-UHFFFAOYSA-N 2 0 287.423 1.659 10 0 CDAERP CCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001276011021 932233447 /nfs/dbraw/zinc/23/34/47/932233447.db2.gz KLXDDWMWAMJSBL-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP CC1CC(C[NH2+]CCCN(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001276226352 932662563 /nfs/dbraw/zinc/66/25/63/932662563.db2.gz DSHBIKSSYBKIQY-QQFBHYJXSA-N 2 0 295.471 1.812 10 0 CDAERP COCC[N@H+](C)CCC[NH2+][C@H]1CCOC[C@@H]1C(C)C ZINC000924653473 932808645 /nfs/dbraw/zinc/80/86/45/932808645.db2.gz KCGPLSSSVWNROX-CABCVRRESA-N 2 0 272.433 1.605 10 0 CDAERP COCC[N@H+](C)CCCN[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000924654342 932809177 /nfs/dbraw/zinc/80/91/77/932809177.db2.gz RBBYNJUSHYRTCS-HZPDHXFCSA-N 2 0 283.460 1.561 10 0 CDAERP C[C@@H]1OC[C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)[C@@H]1C ZINC000925215146 932860545 /nfs/dbraw/zinc/86/05/45/932860545.db2.gz LPZWZPDHXMZUFR-IPYPFGDCSA-N 2 0 269.433 1.025 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](NC2[C@@H]3CC[C@H]2C[N@@H+](C)C3)C1 ZINC000925218983 932861666 /nfs/dbraw/zinc/86/16/66/932861666.db2.gz BBAJJAZMHMZDQF-HAXBKTOASA-N 2 0 265.445 1.789 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCC1(OC)OC ZINC000925242273 932863709 /nfs/dbraw/zinc/86/37/09/932863709.db2.gz ZBXNMBKRZVTKOD-OLZOCXBDSA-N 2 0 274.405 1.084 10 0 CDAERP COC1CC[NH+](CCN[C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC1 ZINC000925541381 932901637 /nfs/dbraw/zinc/90/16/37/932901637.db2.gz HZZYMEGAHAHWGK-PMPSAXMXSA-N 2 0 295.471 1.463 10 0 CDAERP COC1CC[NH+](CCN[C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC1 ZINC000925541380 932901969 /nfs/dbraw/zinc/90/19/69/932901969.db2.gz HZZYMEGAHAHWGK-OWCLPIDISA-N 2 0 295.471 1.463 10 0 CDAERP COCCOCCCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925543329 932902053 /nfs/dbraw/zinc/90/20/53/932902053.db2.gz UJADVURAMGCIJH-CYBMUJFWSA-N 2 0 256.390 1.304 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925548507 932903311 /nfs/dbraw/zinc/90/33/11/932903311.db2.gz CNLOMINQMMYTNO-ZTYXSZCMSA-N 2 0 263.429 1.447 10 0 CDAERP Cc1noc(CCC[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)n1 ZINC000925591693 932912139 /nfs/dbraw/zinc/91/21/39/932912139.db2.gz CQFNJVQCJWJBIM-MNOVXSKESA-N 2 0 250.346 1.170 10 0 CDAERP C[C@](O)(C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)C1CC1 ZINC000925609818 932914496 /nfs/dbraw/zinc/91/44/96/932914496.db2.gz WEKNOIVLOHKNTN-XHSDSOJGSA-N 2 0 266.429 1.905 10 0 CDAERP CC1(C)[C@@H]([NH2+][C@H]2CC[C@H](CO)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925614779 932915656 /nfs/dbraw/zinc/91/56/56/932915656.db2.gz KPHCKZHNGOKIBE-ZSAUSMIDSA-N 2 0 266.429 1.904 10 0 CDAERP CN(C)c1nccc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)n1 ZINC000925634439 932918933 /nfs/dbraw/zinc/91/89/33/932918933.db2.gz IVEXTFIVLNMGFN-WCQYABFASA-N 2 0 277.416 1.538 10 0 CDAERP CC[NH+](CC)CCOCCN[C@@H]1CC[NH2+]C12CCC2 ZINC000925647795 932921332 /nfs/dbraw/zinc/92/13/32/932921332.db2.gz HJXYGTPLOFWKAV-CQSZACIVSA-N 2 0 269.433 1.219 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H](CO)Cc2ccc(F)cc2)C12CCC2 ZINC000925650323 932921433 /nfs/dbraw/zinc/92/14/33/932921433.db2.gz NYBXHADLSGDYJN-RBSFLKMASA-N 2 0 278.371 1.589 10 0 CDAERP CC1(C)[C@@H](N[C@@H]2CCC[NH2+]CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925700291 932928481 /nfs/dbraw/zinc/92/84/81/932928481.db2.gz OZQIKMWGKAKZNN-MQYQWHSLSA-N 2 0 251.418 1.495 10 0 CDAERP Cn1cnc(CCC[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)n1 ZINC000925704073 932929277 /nfs/dbraw/zinc/92/92/77/932929277.db2.gz HNHYWPKKBJIJIH-KWCYVHTRSA-N 2 0 277.416 1.114 10 0 CDAERP C[C@@H]1C[C@H](NC[C@@H]2C[NH2+]CCC2(F)F)C[N@@H+]1C1CC1 ZINC000925775004 932938330 /nfs/dbraw/zinc/93/83/30/932938330.db2.gz BPYNTJSJPMBOEW-WOPDTQHZSA-N 2 0 273.371 1.446 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H](N[C@@H]2C[NH2+]C[C@H]2C)[C@@H](C)C1 ZINC000925783035 932939533 /nfs/dbraw/zinc/93/95/33/932939533.db2.gz BJEASYNOYMWKNK-FXUDXRNXSA-N 2 0 283.460 1.321 10 0 CDAERP C[C@@H]1CC[C@@H]([NH2+]CCN2CCC([NH3+])CC2)C[C@@H]1C ZINC000925809902 932940065 /nfs/dbraw/zinc/94/00/65/932940065.db2.gz CAVYOYVILDUDJI-VNHYZAJKSA-N 2 0 253.434 1.824 10 0 CDAERP COC[C@@H]([NH2+]CCN1CCC([NH3+])CC1)C1CCCC1 ZINC000925813051 932940599 /nfs/dbraw/zinc/94/05/99/932940599.db2.gz RLBOBNGDHKUQLX-OAHLLOKOSA-N 2 0 269.433 1.204 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925819691 932941729 /nfs/dbraw/zinc/94/17/29/932941729.db2.gz YFSCRNZYHKKZDK-LSDHHAIUSA-N 3 0 290.455 1.307 10 0 CDAERP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1 ZINC000925849055 932945314 /nfs/dbraw/zinc/94/53/14/932945314.db2.gz HABMQOKSSCJDJO-BFHYXJOUSA-N 2 0 296.411 1.219 10 0 CDAERP CCO[C@H]1C[C@H]([NH2+]CCCCCN2CC[NH2+]CC2)C1(C)C ZINC000925844362 932945449 /nfs/dbraw/zinc/94/54/49/932945449.db2.gz KKJSOEDRQOUEMV-HOTGVXAUSA-N 2 0 297.487 1.855 10 0 CDAERP O=C1O[C@H](C[NH2+][C@H]2CCC23CCCC3)CC12CC[NH2+]CC2 ZINC000925850804 932945551 /nfs/dbraw/zinc/94/55/51/932945551.db2.gz QJGRVQOKAZQEOU-KBPBESRZSA-N 2 0 292.423 1.984 10 0 CDAERP COC[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)C(C)C ZINC000925844272 932946204 /nfs/dbraw/zinc/94/62/04/932946204.db2.gz JJQCGJKUBOTBFO-HNNXBMFYSA-N 2 0 271.449 1.323 10 0 CDAERP C[C@@H](CC1CCC1)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925853606 932946834 /nfs/dbraw/zinc/94/68/34/932946834.db2.gz QBTURFHWYKTLPQ-JSGCOSHPSA-N 2 0 280.412 1.840 10 0 CDAERP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCc2nnn(C)c2C1 ZINC000925892839 932950183 /nfs/dbraw/zinc/95/01/83/932950183.db2.gz GGXJSGRINRASPG-JGGQBBKZSA-N 2 0 299.422 1.221 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+][C@@H]1CO[C@H](C)[C@@H]1C ZINC000926149552 932969053 /nfs/dbraw/zinc/96/90/53/932969053.db2.gz CQGGILBSGIIMMC-BFHYXJOUSA-N 2 0 258.406 1.358 10 0 CDAERP COC1(OC)CC[C@@H]1[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000926450782 932990955 /nfs/dbraw/zinc/99/09/55/932990955.db2.gz RCQCRTHNXFYPCJ-CABZTGNLSA-N 2 0 251.330 1.008 10 0 CDAERP C[C@@H]([NH2+]CC[C@@]1(O)CCOC1)c1cccc(C[NH+](C)C)c1 ZINC000926648502 933009029 /nfs/dbraw/zinc/00/90/29/933009029.db2.gz GROJOUSSCMSOHW-RHSMWYFYSA-N 2 0 292.423 1.940 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2CC3(C2)OCCO3)[C@H]2CCC[C@H]21 ZINC000927001967 933039852 /nfs/dbraw/zinc/03/98/52/933039852.db2.gz RBBDLGUFICXXRW-QLFBSQMISA-N 2 0 280.412 1.602 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@@H+]1C ZINC000928424843 933140784 /nfs/dbraw/zinc/14/07/84/933140784.db2.gz FRCAUWNMRXEKNR-OLZOCXBDSA-N 2 0 267.417 1.460 10 0 CDAERP C[NH+](C)CC1CC[NH+](Cc2cnn(CCF)c2)CC1 ZINC000929283084 933221552 /nfs/dbraw/zinc/22/15/52/933221552.db2.gz MJEMTOYNIFKGIH-UHFFFAOYSA-N 2 0 268.380 1.626 10 0 CDAERP CC(C)[NH+](CCNC(=O)COC1CC[NH+](C)CC1)C(C)C ZINC000929469378 933237278 /nfs/dbraw/zinc/23/72/78/933237278.db2.gz RLFIERQBTLGGEL-UHFFFAOYSA-N 2 0 299.459 1.332 10 0 CDAERP CC(=O)NCCCCC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000929764538 933267129 /nfs/dbraw/zinc/26/71/29/933267129.db2.gz WLCYQYFYNOZCFU-KRWDZBQOSA-N 2 0 295.471 1.957 10 0 CDAERP COC[C@@H](C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1)C(C)C ZINC000931442957 933564074 /nfs/dbraw/zinc/56/40/74/933564074.db2.gz QWAJTUROZIIFEG-RRFJBIMHSA-N 2 0 254.418 1.789 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000036192231 933645608 /nfs/dbraw/zinc/64/56/08/933645608.db2.gz HHMACCJYSMKMEJ-HNNXBMFYSA-N 2 0 275.396 1.109 10 0 CDAERP C[C@H]([NH2+][C@@H]1CCCN2CCSC[C@@H]12)C1CC[NH+](C)CC1 ZINC000718449606 934820738 /nfs/dbraw/zinc/82/07/38/934820738.db2.gz MQSZBEYMPXSNMS-IMJJTQAJSA-N 2 0 297.512 1.886 10 0 CDAERP NC(=O)CC1CC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000718465011 934821129 /nfs/dbraw/zinc/82/11/29/934821129.db2.gz RBIRNFNLFGEVAK-CLACGNGHSA-N 2 0 279.428 1.541 10 0 CDAERP C1[NH2+]C[C@H]2CC[C@@H]([NH2+][C@H]3CCCN4CCSC[C@@H]34)C[C@@H]12 ZINC000720485085 935166366 /nfs/dbraw/zinc/16/63/66/935166366.db2.gz SZFOMAWWDFEORD-LEOABGAYSA-N 2 0 295.496 1.544 10 0 CDAERP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)CCCCC[NH3+] ZINC000720885275 935265787 /nfs/dbraw/zinc/26/57/87/935265787.db2.gz DEUGQXQKKCCKGF-CHWSQXEVSA-N 2 0 253.390 1.201 10 0 CDAERP CN(C(=O)CCCCC[NH3+])[C@@H]1C[NH+]2CCC1CC2 ZINC000381174173 935524512 /nfs/dbraw/zinc/52/45/12/935524512.db2.gz MUBXRIFDTMZURC-CYBMUJFWSA-N 2 0 253.390 1.058 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC001413329822 935990642 /nfs/dbraw/zinc/99/06/42/935990642.db2.gz WZJZXPGBYQSQTR-ILXRZTDVSA-N 2 0 293.455 1.850 10 0 CDAERP CCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001568669483 1169424189 /nfs/dbraw/zinc/42/41/89/1169424189.db2.gz QOIUJVHCUCJFFH-IHRRRGAJSA-N 2 0 269.433 1.611 10 0 CDAERP Nc1nccc(N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)n1 ZINC000720443798 940365999 /nfs/dbraw/zinc/36/59/99/940365999.db2.gz OKJNJDUAWRQHDQ-NXEZZACHSA-N 2 0 265.386 1.051 10 0 CDAERP CC[N@H+](CCNC(=O)CC[NH+]1CC[C@H](F)C1)C1CC1 ZINC001362033603 970800579 /nfs/dbraw/zinc/80/05/79/970800579.db2.gz WHEZOUXRUZHNQD-LBPRGKRZSA-N 2 0 271.380 1.021 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C[NH+]1CCCC1 ZINC001362064778 970840415 /nfs/dbraw/zinc/84/04/15/970840415.db2.gz LYGKDEUKDZUCKI-OWCLPIDISA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](CCC[NH2+]CCF)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001277217845 942185983 /nfs/dbraw/zinc/18/59/83/942185983.db2.gz NKYDCSRSPRUXOW-CQSZACIVSA-N 2 0 299.434 1.706 10 0 CDAERP c1ncn(-c2ccccc2C[NH2+]CCC[NH+]2CCCC2)n1 ZINC001473917925 970896308 /nfs/dbraw/zinc/89/63/08/970896308.db2.gz ZGIFEPUEXOIMFE-UHFFFAOYSA-N 2 0 285.395 1.843 10 0 CDAERP CCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CCO1 ZINC001280658440 942471692 /nfs/dbraw/zinc/47/16/92/942471692.db2.gz CLXBKTTTWPHTFG-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)COCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001282444132 942712680 /nfs/dbraw/zinc/71/26/80/942712680.db2.gz KVOLTLWGTINXPI-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP CCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CC ZINC001332782611 943163056 /nfs/dbraw/zinc/16/30/56/943163056.db2.gz HVFNFJGBKXGBIG-UONOGXRCSA-N 2 0 267.417 1.461 10 0 CDAERP C[C@H]1C[C@H]([NH2+]CCCF)CCN1C(=O)CCc1c[nH]cn1 ZINC001277749036 943466326 /nfs/dbraw/zinc/46/63/26/943466326.db2.gz UUGABHJHUATTTQ-QWHCGFSZSA-N 2 0 296.390 1.671 10 0 CDAERP CCC[N@H+](CC)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001265104277 944230102 /nfs/dbraw/zinc/23/01/02/944230102.db2.gz NKZAXKVGAYVUBH-ZDUSSCGKSA-N 2 0 255.406 1.319 10 0 CDAERP CCOCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001265283518 944319191 /nfs/dbraw/zinc/31/91/91/944319191.db2.gz FYCFIMWZTQBIGC-GJZGRUSLSA-N 2 0 297.443 1.086 10 0 CDAERP CCC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001265360488 944358681 /nfs/dbraw/zinc/35/86/81/944358681.db2.gz MKMUAURYYBILSC-ZIAGYGMSSA-N 2 0 267.417 1.365 10 0 CDAERP CCCC[NH2+][C@@H](CNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001265362341 944359600 /nfs/dbraw/zinc/35/96/00/944359600.db2.gz JWAZGPGHUALNLP-HNNXBMFYSA-N 2 0 293.455 1.899 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]cn2)C1 ZINC001265496246 944409242 /nfs/dbraw/zinc/40/92/42/944409242.db2.gz QMFGVMUKUPYLNB-HAQNSBGRSA-N 2 0 264.373 1.235 10 0 CDAERP CCC[NH2+][C@H]1C[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001265567345 944431824 /nfs/dbraw/zinc/43/18/24/944431824.db2.gz YBULRGFOOIKCFJ-BETUJISGSA-N 2 0 255.406 1.365 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001265673890 944465974 /nfs/dbraw/zinc/46/59/74/944465974.db2.gz NRZIFNGOIPBOPR-AWEZNQCLSA-N 2 0 281.444 1.851 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001265927199 944575826 /nfs/dbraw/zinc/57/58/26/944575826.db2.gz YEGKKFRNFNILPR-KKUMJFAQSA-N 2 0 281.444 1.707 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]CCCCCF)C2)C1 ZINC001265945359 944590628 /nfs/dbraw/zinc/59/06/28/944590628.db2.gz KGZDATVOAKVTKI-KBPBESRZSA-N 2 0 285.407 1.268 10 0 CDAERP CC[N@H+](CCCNC(=O)C1([NH+](C)C)CCC1)C(C)C ZINC001266049423 944655334 /nfs/dbraw/zinc/65/53/34/944655334.db2.gz SKBDDISEFLKRJO-UHFFFAOYSA-N 2 0 269.433 1.707 10 0 CDAERP CCOCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266237456 944775222 /nfs/dbraw/zinc/77/52/22/944775222.db2.gz WSDUXJROFHJJRW-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001362334725 971164344 /nfs/dbraw/zinc/16/43/44/971164344.db2.gz KHWMAEYVGHRUPK-KKUMJFAQSA-N 2 0 281.444 1.517 10 0 CDAERP C[C@H]1[C@H]([NH2+]CCCF)CCN1C(=O)CCCC[NH+](C)C ZINC001278316253 945928733 /nfs/dbraw/zinc/92/87/33/945928733.db2.gz QHCSQKLKABKFFU-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)=CCN1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001261281863 946033086 /nfs/dbraw/zinc/03/30/86/946033086.db2.gz NNNFJVLUXCHAEP-INIZCTEOSA-N 2 0 293.455 1.970 10 0 CDAERP C[N@@H+]1CCN(C(=O)C[NH2+]C(C)(C)C)C[C@@H]1C(C)(C)C ZINC001262175026 946492359 /nfs/dbraw/zinc/49/23/59/946492359.db2.gz RLQKHRUMDMYOKD-GFCCVEGCSA-N 2 0 269.433 1.563 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001479369585 971313794 /nfs/dbraw/zinc/31/37/94/971313794.db2.gz YRFQITHZECFJCT-FVQBIDKESA-N 2 0 293.455 1.613 10 0 CDAERP CC[NH2+][C@H]1C[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001479408658 971321163 /nfs/dbraw/zinc/32/11/63/971321163.db2.gz LCNFNDWYWHJGQR-JOCQHMNTSA-N 2 0 255.406 1.223 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001479407951 971321253 /nfs/dbraw/zinc/32/12/53/971321253.db2.gz IRUDWCVZFPPEMJ-IHRRRGAJSA-N 2 0 297.418 1.315 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1CC1CC1 ZINC001479717064 971380479 /nfs/dbraw/zinc/38/04/79/971380479.db2.gz WLBLLHOQMBCJAE-OCCSQVGLSA-N 2 0 267.417 1.317 10 0 CDAERP CC(C)[N@@H+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001479759980 971401125 /nfs/dbraw/zinc/40/11/25/971401125.db2.gz NITFXQISKUJKHR-UHFFFAOYSA-N 2 0 293.455 1.804 10 0 CDAERP CCCC[NH2+]C[C@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001569064932 1169626647 /nfs/dbraw/zinc/62/66/47/1169626647.db2.gz QGGVMSCVPDBPDA-AWEZNQCLSA-N 2 0 299.459 1.239 10 0 CDAERP CCOCC[NH2+]C1CCC(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001480411451 971707824 /nfs/dbraw/zinc/70/78/24/971707824.db2.gz NBYSVBCHTJOXSZ-UHFFFAOYSA-N 2 0 299.459 1.380 10 0 CDAERP CC[C@@H](C(=O)N1C[C@H]([NH2+]CCCF)C(C)(C)C1)[NH+](C)C ZINC001278667359 951303567 /nfs/dbraw/zinc/30/35/67/951303567.db2.gz PUQPLWCKKBKLOX-STQMWFEESA-N 2 0 287.423 1.513 10 0 CDAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccsc1 ZINC001480535974 971774399 /nfs/dbraw/zinc/77/43/99/971774399.db2.gz BIEHNPCWKVIVPT-OLZOCXBDSA-N 2 0 295.452 1.684 10 0 CDAERP C[N@@H+]1CCN(C(=O)CC[NH+]2CC[C@H](F)C2)C[C@@H]1C(C)(C)C ZINC001362981692 971784853 /nfs/dbraw/zinc/78/48/53/971784853.db2.gz XCZDWYGOPJXAAL-UONOGXRCSA-N 2 0 299.434 1.609 10 0 CDAERP CC1(C)CC[N@H+](CCNC(=O)CC[NH+]2CC[C@H](F)C2)C1 ZINC001363065916 971857546 /nfs/dbraw/zinc/85/75/46/971857546.db2.gz RKIJVMRLKLTXOV-ZDUSSCGKSA-N 2 0 285.407 1.268 10 0 CDAERP CC[N@@H+]1CC[C@@](C)(NC(=O)CCCC[NH+](C)C)C1 ZINC001324670005 953506987 /nfs/dbraw/zinc/50/69/87/953506987.db2.gz UCSHMCDHAHSJLJ-CQSZACIVSA-N 2 0 255.406 1.319 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001363765082 953763413 /nfs/dbraw/zinc/76/34/13/953763413.db2.gz WBSAQHGUVNHTLQ-QWHCGFSZSA-N 2 0 273.396 1.123 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001493131159 971957550 /nfs/dbraw/zinc/95/75/50/971957550.db2.gz YMDFUYSQYSOUAM-ZIAGYGMSSA-N 2 0 299.434 1.657 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1CC[C@@H](C)F ZINC001493149840 971961167 /nfs/dbraw/zinc/96/11/67/971961167.db2.gz RJCZRGPWXHMWDX-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP CCCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001325596549 953978729 /nfs/dbraw/zinc/97/87/29/953978729.db2.gz RHJSHCYYVQLHTF-LSDHHAIUSA-N 2 0 283.460 1.812 10 0 CDAERP CCOCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C ZINC001325923752 954145299 /nfs/dbraw/zinc/14/52/99/954145299.db2.gz WOPGBDFQJTYBRR-HUUCEWRRSA-N 2 0 297.443 1.040 10 0 CDAERP CC[N@H+](C)[C@H]1CCN(C(=O)N[C@@H](C)C[NH+](C)C(C)C)C1 ZINC001364282598 954418944 /nfs/dbraw/zinc/41/89/44/954418944.db2.gz RMLDVTUYTCFODL-KBPBESRZSA-N 2 0 284.448 1.451 10 0 CDAERP C[C@H](O)CC[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001364521475 954732876 /nfs/dbraw/zinc/73/28/76/954732876.db2.gz MJLPHEJYFMOAMI-AWEZNQCLSA-N 2 0 270.417 1.070 10 0 CDAERP CCCC[NH2+]CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001493592528 972085817 /nfs/dbraw/zinc/08/58/17/972085817.db2.gz UNVFFJCJKUJELX-GJZGRUSLSA-N 2 0 281.444 1.851 10 0 CDAERP Cc1cncc(C[NH2+][C@@H](C)CNC(=O)C[NH+]2CCCC2)c1 ZINC001491673803 955381272 /nfs/dbraw/zinc/38/12/72/955381272.db2.gz KILLUHBEKHHSIB-AWEZNQCLSA-N 2 0 290.411 1.080 10 0 CDAERP CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001491808191 955474490 /nfs/dbraw/zinc/47/44/90/955474490.db2.gz IGRMVDLBRGMONV-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP CC[NH2+]C[C@@H](C)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001421721760 955505303 /nfs/dbraw/zinc/50/53/03/955505303.db2.gz CWEJMKZJCCEXIX-IUODEOHRSA-N 2 0 287.423 1.561 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)CC[NH2+]CC1CC(F)(F)C1 ZINC001493753501 972110159 /nfs/dbraw/zinc/11/01/59/972110159.db2.gz ROEWPJXHTQVVMT-UHFFFAOYSA-N 2 0 291.386 1.422 10 0 CDAERP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(F)cn1 ZINC001492078079 955609839 /nfs/dbraw/zinc/60/98/39/955609839.db2.gz OKROMUKIOKPYLM-GFCCVEGCSA-N 2 0 296.390 1.157 10 0 CDAERP CN(CC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)C(=O)C[NH+]1CCCC1 ZINC001493793354 972115770 /nfs/dbraw/zinc/11/57/70/972115770.db2.gz HACUZFHJNOMWHE-OAGGEKHMSA-N 2 0 293.455 1.566 10 0 CDAERP C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CN(C/C=C\Cl)C1 ZINC001422757156 956311725 /nfs/dbraw/zinc/31/17/25/956311725.db2.gz ZPMPJYOFOBLMHN-UNIPXTFRSA-N 2 0 299.846 1.517 10 0 CDAERP CC(C)[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CC2)C1)[NH+](C)C ZINC001365858213 956410461 /nfs/dbraw/zinc/41/04/61/956410461.db2.gz MEPJVMZFGWALFD-ARFHVFGLSA-N 2 0 295.471 1.857 10 0 CDAERP C(c1noc([C@H]2CCCCC[NH2+]2)n1)C1CC[NH2+]CC1 ZINC001339319996 956459890 /nfs/dbraw/zinc/45/98/90/956459890.db2.gz QBGPVCWPGINBHQ-GFCCVEGCSA-N 2 0 264.373 1.816 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CC[C@H](C[NH2+]C/C=C\Cl)C1 ZINC001480680526 956499949 /nfs/dbraw/zinc/49/99/49/956499949.db2.gz VAOMHSBWZUXXSE-HSBHDXMMSA-N 2 0 285.819 1.273 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccsc2)C1 ZINC001366104783 956565125 /nfs/dbraw/zinc/56/51/25/956565125.db2.gz MUZKIILYGNMKOW-AWEZNQCLSA-N 2 0 295.452 1.780 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001366126989 956584186 /nfs/dbraw/zinc/58/41/86/956584186.db2.gz OITATKJRKPEDNO-XUXIUFHCSA-N 2 0 285.407 1.456 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccccn1 ZINC001366318158 956737390 /nfs/dbraw/zinc/73/73/90/956737390.db2.gz YJUQVYVODHUYNR-ZFWWWQNUSA-N 2 0 290.411 1.160 10 0 CDAERP CC[C@H](F)C[NH+]1CCC(C)(NC(=O)CC[NH+](C)C)CC1 ZINC001423503926 956818860 /nfs/dbraw/zinc/81/88/60/956818860.db2.gz ARAMKNNXOHXVEI-ZDUSSCGKSA-N 2 0 287.423 1.657 10 0 CDAERP CC[N@H+](C)CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001423589039 956886756 /nfs/dbraw/zinc/88/67/56/956886756.db2.gz ZUCYUGXSULEEKU-HNNXBMFYSA-N 2 0 281.444 1.517 10 0 CDAERP C[C@@H]1CCC[C@@H](CC[NH+]2CC(NC(=O)CC[NH+](C)C)C2)C1 ZINC001494441081 972233177 /nfs/dbraw/zinc/23/31/77/972233177.db2.gz FXRYEYKNQAUMAO-CABCVRRESA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H]([NH2+]CCF)[C@@H]1CCN(C(=O)C(C)(C)c2cnc[nH]2)C1 ZINC001423954345 957052279 /nfs/dbraw/zinc/05/22/79/957052279.db2.gz ROKIIVBYRBGTDW-NWDGAFQWSA-N 2 0 296.390 1.483 10 0 CDAERP CC[C@@H](C)C[N@H+](CC)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001366637431 957071396 /nfs/dbraw/zinc/07/13/96/957071396.db2.gz DCFZSAQTRWLSBM-CABCVRRESA-N 2 0 283.460 1.812 10 0 CDAERP C[NH+](C)CCCCC(=O)NC1C[NH+](CCC(C)(C)C)C1 ZINC001494483378 972240278 /nfs/dbraw/zinc/24/02/78/972240278.db2.gz NEJVBPFRJZYAQN-UHFFFAOYSA-N 2 0 283.460 1.955 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@@]12CC[NH+](C1)CCC2)C1CC1 ZINC001316926777 957130044 /nfs/dbraw/zinc/13/00/44/957130044.db2.gz MYNZXOWIDYJLDG-INIZCTEOSA-N 2 0 279.428 1.463 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CCCF)CC1 ZINC001424254417 957171291 /nfs/dbraw/zinc/17/12/91/957171291.db2.gz AXHWOWPQEBEEAI-ZDUSSCGKSA-N 2 0 273.396 1.268 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCC1 ZINC001366803182 957193756 /nfs/dbraw/zinc/19/37/56/957193756.db2.gz WGTWGMHGBTUWOE-IYBDPMFKSA-N 2 0 293.455 1.804 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1CCC[NH+](CC2CC2)C1 ZINC001366904594 957261017 /nfs/dbraw/zinc/26/10/17/957261017.db2.gz UUNZUVTYCGTZHT-JKSUJKDBSA-N 2 0 293.455 1.851 10 0 CDAERP CC[C@@H](C(=O)NC[C@@H](C)[NH2+]CC=C(C)C)[NH+](C)C ZINC001317264677 957388992 /nfs/dbraw/zinc/38/89/92/957388992.db2.gz OFKLQLAOEMUXSR-OLZOCXBDSA-N 2 0 255.406 1.387 10 0 CDAERP CCCC[NH2+][C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001317271787 957396651 /nfs/dbraw/zinc/39/66/51/957396651.db2.gz OAZYXCZZBYETAM-CYBMUJFWSA-N 2 0 269.433 1.613 10 0 CDAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC1=CCCCC1 ZINC001317284038 957402545 /nfs/dbraw/zinc/40/25/45/957402545.db2.gz QHKOZZAFSZWTOX-AWEZNQCLSA-N 2 0 291.439 1.677 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001332028462 957406223 /nfs/dbraw/zinc/40/62/23/957406223.db2.gz OESVWWBYDVAWDC-KGLIPLIRSA-N 2 0 267.417 1.483 10 0 CDAERP CC[C@H](C(=O)N1CC[C@H]([NH2+]C(C)C)C1)[NH+](CC)CC ZINC001317305945 957415244 /nfs/dbraw/zinc/41/52/44/957415244.db2.gz QKGHWXKUXVIBBS-UONOGXRCSA-N 2 0 269.433 1.706 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCC2CC2)C1 ZINC001317312339 957417360 /nfs/dbraw/zinc/41/73/60/957417360.db2.gz GTAFVIATICSUIG-GJZGRUSLSA-N 2 0 279.428 1.319 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001332064681 957421339 /nfs/dbraw/zinc/42/13/39/957421339.db2.gz OPUJQKNJNZHUTM-CABCVRRESA-N 2 0 281.444 1.872 10 0 CDAERP CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001317324935 957424416 /nfs/dbraw/zinc/42/44/16/957424416.db2.gz BPGUTOHLAQDRAD-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP C[N@H+](CC(=O)N1CC[C@H](C[NH2+]CCF)C1)CC(C)(C)C ZINC001317340286 957430388 /nfs/dbraw/zinc/43/03/88/957430388.db2.gz WVBBXWDFDXSQKJ-CYBMUJFWSA-N 2 0 287.423 1.372 10 0 CDAERP CC/C=C\CC[N@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001317484040 957505041 /nfs/dbraw/zinc/50/50/41/957505041.db2.gz JKZGCONNUJBHGK-IDTUSYRASA-N 2 0 281.444 1.875 10 0 CDAERP CC[N@@H+](CC=C(C)C)CCNC(=O)C[NH+]1CCCC1 ZINC001317489878 957509962 /nfs/dbraw/zinc/50/99/62/957509962.db2.gz IOWSCPQOQPJKHZ-UHFFFAOYSA-N 2 0 267.417 1.487 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC2CC2)CC1(C)C ZINC001425324241 957515557 /nfs/dbraw/zinc/51/55/57/957515557.db2.gz UDNIBRZPJVYBCP-CQSZACIVSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001425389613 957525791 /nfs/dbraw/zinc/52/57/91/957525791.db2.gz HVGUMYJWUYNBOI-TUVASFSCSA-N 2 0 281.444 1.611 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@]23CCC[C@@H]2[N@H+](CCF)CC3)CC1 ZINC001425925328 957645350 /nfs/dbraw/zinc/64/53/50/957645350.db2.gz UZDZBIFIKATFHZ-BBRMVZONSA-N 2 0 297.418 1.411 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CC2CC2)C(C)(C)C1 ZINC001425979072 957656104 /nfs/dbraw/zinc/65/61/04/957656104.db2.gz UFKCCWKXCLJWKZ-CQSZACIVSA-N 2 0 281.444 1.563 10 0 CDAERP CC[C@H](C(=O)N[C@H](C[NH2+]C(C)C)C(C)(C)C)[NH+](C)C ZINC001426146800 957708182 /nfs/dbraw/zinc/70/81/82/957708182.db2.gz FHUKTMSSHTTYLK-CHWSQXEVSA-N 2 0 271.449 1.856 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001494739184 972300215 /nfs/dbraw/zinc/30/02/15/972300215.db2.gz FHLXCXFHNOLCJY-ZDUSSCGKSA-N 2 0 255.406 1.173 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1CCN(CC(F)F)CC1 ZINC001332865912 957899314 /nfs/dbraw/zinc/89/93/14/957899314.db2.gz NPEQASLUGOIFIR-MNOVXSKESA-N 2 0 261.360 1.161 10 0 CDAERP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]Cc1ccsc1 ZINC001367287988 957907377 /nfs/dbraw/zinc/90/73/77/957907377.db2.gz JLNBEQXSRAYNAV-ZDUSSCGKSA-N 2 0 295.452 1.686 10 0 CDAERP CC(C)[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC1CCC1 ZINC001367492279 958052020 /nfs/dbraw/zinc/05/20/20/958052020.db2.gz FYDCLVVSGTTZAK-HNNXBMFYSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC[C@H](C)F ZINC001367493094 958055176 /nfs/dbraw/zinc/05/51/76/958055176.db2.gz PAAPFGUZGYJLDQ-KBPBESRZSA-N 2 0 299.434 1.561 10 0 CDAERP CN(CC[N@H+](C)CCC1CC1)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001367545757 958128436 /nfs/dbraw/zinc/12/84/36/958128436.db2.gz MIOZUMJHEXFYSQ-HNNXBMFYSA-N 2 0 281.444 1.519 10 0 CDAERP CC[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC(C)C ZINC001318570799 958178664 /nfs/dbraw/zinc/17/86/64/958178664.db2.gz RLZFEJHZFNXLDJ-ZIAGYGMSSA-N 2 0 269.433 1.469 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1cncs1)[NH+](C)C ZINC001367698670 958227566 /nfs/dbraw/zinc/22/75/66/958227566.db2.gz KVRFTKAHGQPAFO-PWSUYJOCSA-N 2 0 284.429 1.078 10 0 CDAERP C[C@H]1CCCC[C@]1(C[NH2+]CCF)NC(=O)C[NH+]1CCCC1 ZINC001318757848 958257915 /nfs/dbraw/zinc/25/79/15/958257915.db2.gz JSKPMJAAJXHAIO-GOEBONIOSA-N 2 0 299.434 1.706 10 0 CDAERP Cc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001367772303 958321090 /nfs/dbraw/zinc/32/10/90/958321090.db2.gz RPKWOFFXSJHHGA-HOCLYGCPSA-N 2 0 289.423 1.541 10 0 CDAERP Cc1cccnc1C[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001367774369 958323756 /nfs/dbraw/zinc/32/37/56/958323756.db2.gz KHRMDRMVGLKPJU-AWEZNQCLSA-N 2 0 292.427 1.325 10 0 CDAERP C[C@@H](F)CC[N@H+]1CC=C(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001333449039 958344922 /nfs/dbraw/zinc/34/49/22/958344922.db2.gz XWUPHDMAJANTCB-CQSZACIVSA-N 2 0 297.418 1.579 10 0 CDAERP CC(C)CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001319574922 958638101 /nfs/dbraw/zinc/63/81/01/958638101.db2.gz QGOXIIDYHWTLHW-GJZGRUSLSA-N 2 0 283.460 1.811 10 0 CDAERP CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001319621243 958658339 /nfs/dbraw/zinc/65/83/39/958658339.db2.gz MYGSWXBRIHPXQM-ZIAGYGMSSA-N 2 0 269.433 1.611 10 0 CDAERP CC[C@H](F)C[NH2+][C@@H](CC)CNC(=O)C1CC[NH+](C)CC1 ZINC001495050869 972388731 /nfs/dbraw/zinc/38/87/31/972388731.db2.gz RVZZEQWPPYAUPA-KBPBESRZSA-N 2 0 287.423 1.561 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCCC[NH+]1CCCC1 ZINC001334355759 959049147 /nfs/dbraw/zinc/04/91/47/959049147.db2.gz QHXWIXGJTCAFES-YIONKMFJSA-N 2 0 251.418 1.402 10 0 CDAERP CC[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CCC(C)C ZINC001495094376 972404386 /nfs/dbraw/zinc/40/43/86/972404386.db2.gz OTMBIUZOLGHOQB-GJZGRUSLSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@@H](CC[NH2+]CCC(F)(F)F)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001320641633 959290639 /nfs/dbraw/zinc/29/06/39/959290639.db2.gz YPQMISSLEWEIPX-QWRGUYRKSA-N 2 0 295.349 1.375 10 0 CDAERP C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1C[NH+](CC2CCC2)C1 ZINC001369093322 959454866 /nfs/dbraw/zinc/45/48/66/959454866.db2.gz LESGLDIPPXBFKK-UKRRQHHQSA-N 2 0 293.455 1.565 10 0 CDAERP Cc1nccn1CCCC(=O)NC/C=C/C[NH2+]C(C)C ZINC001321292851 959700114 /nfs/dbraw/zinc/70/01/14/959700114.db2.gz FWJXABKNPGAZIT-SNAWJCMRSA-N 2 0 278.400 1.642 10 0 CDAERP CC(C)CC[NH2+]C1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001369584486 959775914 /nfs/dbraw/zinc/77/59/14/959775914.db2.gz BZGWHBPSBDLFOS-UHFFFAOYSA-N 2 0 281.444 1.707 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]([NH2+]Cc1ccccn1)C1CC1 ZINC001370213861 960024092 /nfs/dbraw/zinc/02/40/92/960024092.db2.gz LMOCTFNFXZLQBD-HNNXBMFYSA-N 2 0 290.411 1.018 10 0 CDAERP C[C@@H](C[NH2+]CCCCCF)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001322059740 960070229 /nfs/dbraw/zinc/07/02/29/960070229.db2.gz IKGJMYNUWWIOQH-HOCLYGCPSA-N 2 0 299.434 1.706 10 0 CDAERP O=C(N1CC[C@H]([NH2+]C/C=C/Cl)C1)C12CC[NH+](CC1)C2 ZINC001370405910 960083490 /nfs/dbraw/zinc/08/34/90/960083490.db2.gz SDXQMHUAEGGFGZ-FDQQOCSASA-N 2 0 283.803 1.025 10 0 CDAERP C[C@@H](F)CC[NH2+][C@@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001370533398 960140413 /nfs/dbraw/zinc/14/04/13/960140413.db2.gz SXYHMCSYAPVMIA-RBSFLKMASA-N 2 0 299.434 1.703 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+][C@@H](C)c1cccc(F)c1 ZINC001371356633 972484584 /nfs/dbraw/zinc/48/45/84/972484584.db2.gz XTEBHXLVULZBSK-OLZOCXBDSA-N 2 0 295.402 1.933 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001370630208 960168660 /nfs/dbraw/zinc/16/86/60/960168660.db2.gz DBFBLVHHNCZTPA-DBBWJUADSA-N 2 0 299.846 1.850 10 0 CDAERP CCC[NH2+]CC[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001495389219 972485298 /nfs/dbraw/zinc/48/52/98/972485298.db2.gz WINMBKHKIYSQOF-JKSUJKDBSA-N 2 0 295.471 1.957 10 0 CDAERP COC[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001370788930 960199276 /nfs/dbraw/zinc/19/92/76/960199276.db2.gz JMPOBYYOQSWAOY-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001323300962 960628098 /nfs/dbraw/zinc/62/80/98/960628098.db2.gz DKKVFRCKBDMCAV-KBPBESRZSA-N 2 0 267.417 1.175 10 0 CDAERP CCCCC[N@@H+]1CC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001323301810 960630564 /nfs/dbraw/zinc/63/05/64/960630564.db2.gz KZGNKHZRMGYVDJ-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)C[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001371477005 972526270 /nfs/dbraw/zinc/52/62/70/972526270.db2.gz WCLPBZQTCNTOPT-HUUCEWRRSA-N 2 0 283.460 1.857 10 0 CDAERP C[C@@H]([NH2+]CCNC(=O)C1CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001559737012 960801579 /nfs/dbraw/zinc/80/15/79/960801579.db2.gz FHRNVXLYNCLUSC-HIFRSBDPSA-N 2 0 293.455 1.755 10 0 CDAERP CC1CC(C[N@@H+]2CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]2C)C1 ZINC001418802966 961037591 /nfs/dbraw/zinc/03/75/91/961037591.db2.gz LTTFEUVSVUZVNP-KNIAUWFNSA-N 2 0 295.471 1.953 10 0 CDAERP CN(CCF)C[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001418828907 961072505 /nfs/dbraw/zinc/07/25/05/961072505.db2.gz SFAHWXGIBKUBGT-AWEZNQCLSA-N 2 0 299.434 1.611 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC001434223934 961097979 /nfs/dbraw/zinc/09/79/79/961097979.db2.gz HPDWZZNAXOCIQB-LXTVHRRPSA-N 2 0 293.455 1.848 10 0 CDAERP O=C(CCCn1ccnc1)NC1C[NH+](CCC2CC2)C1 ZINC001419003756 961248496 /nfs/dbraw/zinc/24/84/96/961248496.db2.gz NDTZICCSSLEHLX-UHFFFAOYSA-N 2 0 276.384 1.264 10 0 CDAERP C[C@H]1C[C@H](C)C[NH+](CCN2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)C1 ZINC001434492623 961529268 /nfs/dbraw/zinc/52/92/68/961529268.db2.gz NJQZSBPQESDINY-NXOAAHMSSA-N 2 0 279.472 1.848 10 0 CDAERP C[C@@H]1C[C@@H](C)C[NH+](CCN2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)C1 ZINC001434492645 961532041 /nfs/dbraw/zinc/53/20/41/961532041.db2.gz NJQZSBPQESDINY-VQHPVUNQSA-N 2 0 279.472 1.848 10 0 CDAERP C[C@H](Cc1c[nH]cn1)C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC2)C1 ZINC001419497162 961763673 /nfs/dbraw/zinc/76/36/73/961763673.db2.gz NMLQQYYWBKORHP-RTXFEEFZSA-N 2 0 276.384 1.235 10 0 CDAERP CCCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001419639719 961908259 /nfs/dbraw/zinc/90/82/59/961908259.db2.gz WOQDDRREOSWQNH-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001419742692 962057175 /nfs/dbraw/zinc/05/71/75/962057175.db2.gz HYSQMDWTJLWARH-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP CC(C)[NH2+][C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001419878544 962191865 /nfs/dbraw/zinc/19/18/65/962191865.db2.gz NJSXCAFUABFGQI-LSDHHAIUSA-N 2 0 283.460 2.000 10 0 CDAERP CO[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1C ZINC001436479646 962284419 /nfs/dbraw/zinc/28/44/19/962284419.db2.gz CEVDXTFKLJBFST-GUTXKFCHSA-N 2 0 297.443 1.085 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC1CCCC1)C1CC1 ZINC001436777104 962413450 /nfs/dbraw/zinc/41/34/50/962413450.db2.gz JECZYAVTXAOXFT-CVEARBPZSA-N 2 0 293.455 1.755 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]([NH2+]C/C=C/Cl)C2CC2)C1 ZINC001436825289 962440297 /nfs/dbraw/zinc/44/02/97/962440297.db2.gz HHDPLDCKHKBBBB-SZOGZUGYSA-N 2 0 299.846 1.565 10 0 CDAERP CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCC[NH+](C)C)C1 ZINC001436945764 962518825 /nfs/dbraw/zinc/51/88/25/962518825.db2.gz QHOQZGYSATYDTH-LSDHHAIUSA-N 2 0 281.444 1.661 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001436954219 962521098 /nfs/dbraw/zinc/52/10/98/962521098.db2.gz UVVNSPVMSTVLCI-DCUPDMMRSA-N 2 0 299.846 1.849 10 0 CDAERP CCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001437145002 962677163 /nfs/dbraw/zinc/67/71/63/962677163.db2.gz JUAMFRTXOAKCCF-ZFWWWQNUSA-N 2 0 281.444 1.898 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)CCC1CC1 ZINC001420314338 962725813 /nfs/dbraw/zinc/72/58/13/962725813.db2.gz OPFNNUMYQYETAJ-JKSUJKDBSA-N 2 0 293.455 1.851 10 0 CDAERP C[N@H+](C/C=C/Cl)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001437356724 962828743 /nfs/dbraw/zinc/82/87/43/962828743.db2.gz IEXMEOLXXGEZLK-HZRUHFOJSA-N 2 0 299.846 1.758 10 0 CDAERP CC(C)C[NH2+][C@H](C)CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001437420867 962873068 /nfs/dbraw/zinc/87/30/68/962873068.db2.gz FDQZJJVIWJYYHV-LSDHHAIUSA-N 2 0 299.459 1.095 10 0 CDAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@H+](C)CC1CCC1 ZINC001437567084 963023143 /nfs/dbraw/zinc/02/31/43/963023143.db2.gz WKPZMOWEKFOYLG-KBPBESRZSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001437743522 963158635 /nfs/dbraw/zinc/15/86/35/963158635.db2.gz NLZJPVWQLDMFJS-ZIAGYGMSSA-N 2 0 285.407 1.268 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001420790061 963245736 /nfs/dbraw/zinc/24/57/36/963245736.db2.gz SHNREIBCFJUFNF-KGLIPLIRSA-N 2 0 285.407 1.315 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001420854144 963303427 /nfs/dbraw/zinc/30/34/27/963303427.db2.gz NANRNWBFFNIRAV-ZBFHGGJFSA-N 2 0 293.455 1.565 10 0 CDAERP CC(C)C[C@@H](C)C[N@@H+]1CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001420899017 963340250 /nfs/dbraw/zinc/34/02/50/963340250.db2.gz FNKWEHVBSQSXIP-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](C)C[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001420991833 963406644 /nfs/dbraw/zinc/40/66/44/963406644.db2.gz CCZJDIXRRFWZRT-KBPBESRZSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@@H](C[NH2+]CC1CC1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001439215261 963681173 /nfs/dbraw/zinc/68/11/73/963681173.db2.gz QQBZEVIGOXBIBD-XJKSGUPXSA-N 2 0 293.455 1.898 10 0 CDAERP Cc1ncccc1C[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001439365182 963739242 /nfs/dbraw/zinc/73/92/42/963739242.db2.gz POMRZCQZYGYFOJ-CYBMUJFWSA-N 2 0 292.427 1.278 10 0 CDAERP C[C@@H](F)CC[NH2+]C1(CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001439674496 963838048 /nfs/dbraw/zinc/83/80/48/963838048.db2.gz FZARXIPZJLTHQP-CQSZACIVSA-N 2 0 299.434 1.849 10 0 CDAERP CCC[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCOCC1 ZINC001439971100 963907784 /nfs/dbraw/zinc/90/77/84/963907784.db2.gz QDBBWONPZSNPTM-CQSZACIVSA-N 2 0 299.459 1.238 10 0 CDAERP C[C@@H]([NH2+]CC1CC1)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001440829369 964201257 /nfs/dbraw/zinc/20/12/57/964201257.db2.gz FJUKJRANRSPVRW-OLZOCXBDSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccns1 ZINC001440851998 964211433 /nfs/dbraw/zinc/21/14/33/964211433.db2.gz FZGKTMWLEDTSKE-RYUDHWBXSA-N 2 0 298.456 1.466 10 0 CDAERP CC[C@H](C)C[NH+]1CC([C@@H](C)NC(=O)CC[N@H+](C)CC)C1 ZINC001441222563 964425637 /nfs/dbraw/zinc/42/56/37/964425637.db2.gz ZOGOOHWMSWBEJX-UONOGXRCSA-N 2 0 283.460 1.811 10 0 CDAERP Cc1cnc(C[NH2+][C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)s1 ZINC001441415377 964506005 /nfs/dbraw/zinc/50/60/05/964506005.db2.gz FOPWJXADSWALMD-HAQNSBGRSA-N 2 0 296.440 1.140 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001441666661 964643672 /nfs/dbraw/zinc/64/36/72/964643672.db2.gz BRUXBJWJBQHJCX-CABCVRRESA-N 2 0 281.444 1.804 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]C/C=C\Cl ZINC001441816767 964732083 /nfs/dbraw/zinc/73/20/83/964732083.db2.gz FETSOSSXEMMVLL-VYTAFLBXSA-N 2 0 273.808 1.173 10 0 CDAERP CCC[N@@H+]1CC[C@@]2(NC(=O)[C@@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001441858681 964753125 /nfs/dbraw/zinc/75/31/25/964753125.db2.gz DSAKSDXTOXCPJV-FMKPAKJESA-N 2 0 281.444 1.850 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[C@H]2C[C@@H](C)C[N@@H+]2C1)[NH+](C)C ZINC001346164185 964963048 /nfs/dbraw/zinc/96/30/48/964963048.db2.gz OEOVFMYZJGTKRG-MQYQWHSLSA-N 2 0 267.417 1.173 10 0 CDAERP C[C@H](NC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C1=CC[N@H+](C)CC1 ZINC001556159941 965003558 /nfs/dbraw/zinc/00/35/58/965003558.db2.gz LNCPSLQQKNUCBF-BPUTZDHNSA-N 2 0 293.455 1.873 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001442556384 965112350 /nfs/dbraw/zinc/11/23/50/965112350.db2.gz HBGADOVWRPTPIR-CQSZACIVSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1CCCF ZINC001442853153 965249344 /nfs/dbraw/zinc/24/93/44/965249344.db2.gz ZBECLNFUPUKQED-ZDUSSCGKSA-N 2 0 273.396 1.267 10 0 CDAERP CCCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](CCCF)C1 ZINC001443186113 965383454 /nfs/dbraw/zinc/38/34/54/965383454.db2.gz JQQJFIKONACYDV-OAHLLOKOSA-N 2 0 299.434 1.755 10 0 CDAERP C[NH+](C)CCc1cccc(C(=O)N[C@H]2CCC[N@H+](C)C2)c1 ZINC001443705318 965567390 /nfs/dbraw/zinc/56/73/90/965567390.db2.gz VQSQFABLQQYDNL-INIZCTEOSA-N 2 0 289.423 1.615 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001444171390 965751644 /nfs/dbraw/zinc/75/16/44/965751644.db2.gz CVXUVLPYHSLVDY-XGUBFFRZSA-N 2 0 299.434 1.703 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001444628098 965907986 /nfs/dbraw/zinc/90/79/86/965907986.db2.gz KFPXVAJMDMFXBQ-UONOGXRCSA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001444928606 966006842 /nfs/dbraw/zinc/00/68/42/966006842.db2.gz DCAHVVWHGCYRNT-HUUCEWRRSA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)OCC[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001446550771 966580191 /nfs/dbraw/zinc/58/01/91/966580191.db2.gz HJTZQRAGBDNABT-INIZCTEOSA-N 2 0 299.459 1.332 10 0 CDAERP [NH3+][C@H]1CCc2ccccc2N(C[C@H]2CCC[NH2+]C2)C1 ZINC001350398188 966655668 /nfs/dbraw/zinc/65/56/68/966655668.db2.gz LMRVAXCTIBHFEB-ZFWWWQNUSA-N 2 0 259.397 1.766 10 0 CDAERP CC[NH2+]C1(CC)CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001447426813 966783950 /nfs/dbraw/zinc/78/39/50/966783950.db2.gz YQBQSOLIOCYRAG-INIZCTEOSA-N 2 0 293.455 1.853 10 0 CDAERP CC(C)CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001447567533 966818750 /nfs/dbraw/zinc/81/87/50/966818750.db2.gz HFSTWONOBIEOBH-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001448442365 967113908 /nfs/dbraw/zinc/11/39/08/967113908.db2.gz QWYNQANIIFRAQE-YHUYYLMFSA-N 2 0 295.471 1.668 10 0 CDAERP CC[N@H+](CCNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)C(C)C ZINC000847308320 967248793 /nfs/dbraw/zinc/24/87/93/967248793.db2.gz YLJWGJTVFMLLPN-OKILXGFUSA-N 2 0 284.448 1.356 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)CC[NH+](C)C ZINC001543359674 967291544 /nfs/dbraw/zinc/29/15/44/967291544.db2.gz USKBDHNPTCTNTI-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)C1CC([NH2+]CC[C@@H](C)F)C1 ZINC001449405551 967453350 /nfs/dbraw/zinc/45/33/50/967453350.db2.gz WRKOCIOAWOJGMS-IYXRBSQSSA-N 2 0 287.423 1.655 10 0 CDAERP COC[C@H]([NH2+]C[C@@H]([NH3+])CC(F)F)[C@@H]1CCCOC1 ZINC001353945259 968355075 /nfs/dbraw/zinc/35/50/75/968355075.db2.gz ZSMSYUNYVHXKNY-VWYCJHECSA-N 2 0 266.332 1.000 10 0 CDAERP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCCC[NH+]3CCCC3)[C@H]2C1 ZINC001529327405 969029135 /nfs/dbraw/zinc/02/91/35/969029135.db2.gz ISJOZNBSIRTHSW-JYJNAYRXSA-N 2 0 293.455 1.709 10 0 CDAERP CC[N@@H+]1CCC[C@H](CNC(=[NH2+])N[C@@H](C)C2CC2)C1 ZINC001355379919 969139186 /nfs/dbraw/zinc/13/91/86/969139186.db2.gz FTRHPXFDGROOKW-NWDGAFQWSA-N 2 0 252.406 1.631 10 0 CDAERP Cn1c(CNC2(CCO)CC[NH+](C)CC2)cnc1Cl ZINC000848557261 969172438 /nfs/dbraw/zinc/17/24/38/969172438.db2.gz DAMSOZIROKELHS-UHFFFAOYSA-N 2 0 286.807 1.010 10 0 CDAERP C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001457770945 969220124 /nfs/dbraw/zinc/22/01/24/969220124.db2.gz DLPSVQWFXXQCGS-QLFBSQMISA-N 2 0 281.444 1.707 10 0 CDAERP C[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCC1 ZINC001457819872 969226054 /nfs/dbraw/zinc/22/60/54/969226054.db2.gz KLNBQALQJJSSLY-CHWSQXEVSA-N 2 0 267.417 1.365 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@@H](O)c2ccc(F)cc2F)C1 ZINC000848676334 969233362 /nfs/dbraw/zinc/23/33/62/969233362.db2.gz KYUDNAZPWPHNOG-IFUGULHKSA-N 2 0 284.350 1.928 10 0 CDAERP C[C@H]1CN(C(=[NH2+])NCCCCCCC[NH+](C)C)CCO1 ZINC000848998189 969390667 /nfs/dbraw/zinc/39/06/67/969390667.db2.gz BUJUWAJFXOHAMZ-AWEZNQCLSA-N 2 0 284.448 1.744 10 0 CDAERP [NH2+]=C(NCCCCC[NH+]1CCCCC1)NC1CC1 ZINC000849007791 969398881 /nfs/dbraw/zinc/39/88/81/969398881.db2.gz SQXKVJCIDHMWRO-UHFFFAOYSA-N 2 0 252.406 1.919 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC[C@H]1CCOC1 ZINC000849018280 969407198 /nfs/dbraw/zinc/40/71/98/969407198.db2.gz YPPPMMVCCWJEIC-QWHCGFSZSA-N 2 0 268.405 1.011 10 0 CDAERP C[N@@H+]1CCC[C@@H](CCNC(=[NH2+])NC[C@@H]2CCCO2)C1 ZINC000849041517 969426299 /nfs/dbraw/zinc/42/62/99/969426299.db2.gz RNSKBZWKJMTSBC-STQMWFEESA-N 2 0 268.405 1.011 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)CC(F)F ZINC000849045906 969429483 /nfs/dbraw/zinc/42/94/83/969429483.db2.gz RLHUMMXBIHRIGD-QWRGUYRKSA-N 2 0 276.375 1.876 10 0 CDAERP CC(C)(O)C[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001460943699 969568724 /nfs/dbraw/zinc/56/87/24/969568724.db2.gz MOTFQMJFUBAKMV-UHFFFAOYSA-N 2 0 270.417 1.070 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)C[NH2+]C1([C@H]2CCCO2)CCC1 ZINC001460946638 969571186 /nfs/dbraw/zinc/57/11/86/969571186.db2.gz MBWDOMPKCUMWIR-ZIAGYGMSSA-N 2 0 270.417 1.379 10 0 CDAERP C[C@H](O)[C@H](C)[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001460970477 969579530 /nfs/dbraw/zinc/57/95/30/969579530.db2.gz GFABAQGULVZNPA-ZQDZILKHSA-N 2 0 252.402 1.564 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)CN1CCCC[C@]12CCOC2 ZINC001473895436 969847763 /nfs/dbraw/zinc/84/77/63/969847763.db2.gz JYORPZFGIHFYDQ-LSDHHAIUSA-N 2 0 270.417 1.333 10 0 CDAERP CC[NH+]1CCC(CCNC2=[NH+]CCCCN2)CC1 ZINC000849215937 969915186 /nfs/dbraw/zinc/91/51/86/969915186.db2.gz LMTMPVFZNDRXDG-UHFFFAOYSA-N 2 0 252.406 1.437 10 0 CDAERP C[NH+]1CCC(NC(=S)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000849266682 969925214 /nfs/dbraw/zinc/92/52/14/969925214.db2.gz AGDCQDZKZBONGK-CYBMUJFWSA-N 2 0 298.500 1.418 10 0 CDAERP O=C(CC[N@H+]1CC[C@@H](F)C1)NCc1ccc2c[nH+]cn2c1 ZINC001468835076 970196336 /nfs/dbraw/zinc/19/63/36/970196336.db2.gz KLDMJQBTFFQQTR-CYBMUJFWSA-N 2 0 290.342 1.384 10 0 CDAERP CCCC[NH+]1CC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001495978366 972727394 /nfs/dbraw/zinc/72/73/94/972727394.db2.gz NMBOHBHRPJPTFI-UHFFFAOYSA-N 2 0 281.444 1.663 10 0 CDAERP CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001496085489 972790876 /nfs/dbraw/zinc/79/08/76/972790876.db2.gz YLMFDPFAJKSKDQ-STQMWFEESA-N 2 0 257.422 1.419 10 0 CDAERP CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](CC)[NH+](CC)CC ZINC001496156799 972820502 /nfs/dbraw/zinc/82/05/02/972820502.db2.gz IIBJQLOSSQULBP-OLZOCXBDSA-N 2 0 257.422 1.563 10 0 CDAERP C[C@H](CC[NH2+]CC1CCC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001497242161 973257492 /nfs/dbraw/zinc/25/74/92/973257492.db2.gz VCWTYYOCYDYIRM-TZMCWYRMSA-N 2 0 267.417 1.365 10 0 CDAERP C[NH+](C)CCC(=O)NC/C=C/C[NH2+]CC1CCCC1 ZINC001497674142 973459779 /nfs/dbraw/zinc/45/97/79/973459779.db2.gz IHAWJGQVNQADJU-AATRIKPKSA-N 2 0 267.417 1.390 10 0 CDAERP CN(C(=O)CC[NH+](C)C)C1CC[NH+](CCCF)CC1 ZINC001417898091 973462966 /nfs/dbraw/zinc/46/29/66/973462966.db2.gz WZGFBBULZNZQOM-UHFFFAOYSA-N 2 0 273.396 1.221 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001418063082 973560532 /nfs/dbraw/zinc/56/05/32/973560532.db2.gz IQAPMTPMBKSNCV-IHRRRGAJSA-N 2 0 299.434 1.846 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+]CC=C(Cl)Cl ZINC001497955003 973589133 /nfs/dbraw/zinc/58/91/33/973589133.db2.gz NWBZEIJEPYFWPI-SNVBAGLBSA-N 2 0 296.242 1.742 10 0 CDAERP CCC(CC)C[NH2+]C[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001498044204 973645109 /nfs/dbraw/zinc/64/51/09/973645109.db2.gz VYBVGOSONPUIIH-BBRMVZONSA-N 2 0 295.471 1.859 10 0 CDAERP CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)[NH2+]C(C)C ZINC001373833622 973661431 /nfs/dbraw/zinc/66/14/31/973661431.db2.gz GQTWAWNURMTHFN-GJZGRUSLSA-N 2 0 283.460 2.000 10 0 CDAERP Cc1ccccc1C[NH2+]C[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001374075863 973767335 /nfs/dbraw/zinc/76/73/35/973767335.db2.gz QSQOLUKUGUOKOC-CQSZACIVSA-N 2 0 291.439 1.789 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)CCC1CCCC1 ZINC001418527172 973931277 /nfs/dbraw/zinc/93/12/77/973931277.db2.gz KAZSBGWSFQFIHE-UHFFFAOYSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)CC[N@H+](C)CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001374493726 973980912 /nfs/dbraw/zinc/98/09/12/973980912.db2.gz YGWSVAYMDTUIGH-INIZCTEOSA-N 2 0 295.471 1.765 10 0 CDAERP CC(C)=CC[NH2+]CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001498656351 974012299 /nfs/dbraw/zinc/01/22/99/974012299.db2.gz YUZIWWJTMSMCAU-UHFFFAOYSA-N 2 0 267.417 1.487 10 0 CDAERP COCCCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001498944131 974124546 /nfs/dbraw/zinc/12/45/46/974124546.db2.gz MPUXHACPOXZNDI-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP COCC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001499854587 974314626 /nfs/dbraw/zinc/31/46/26/974314626.db2.gz SXMYWNRULZGQHU-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP Cc1nccn1CC(=O)NCC1([NH2+]CC[C@@H](C)F)CC1 ZINC001375542695 974416936 /nfs/dbraw/zinc/41/69/36/974416936.db2.gz HPDNNNNTWZHHSB-LLVKDONJSA-N 2 0 282.363 1.178 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001375756677 974471545 /nfs/dbraw/zinc/47/15/45/974471545.db2.gz LJLLTJXJYUAKSR-ZIAGYGMSSA-N 2 0 299.434 1.799 10 0 CDAERP CC[NH2+]CCN(Cc1ccccc1)C(=O)C[N@H+](C)C(C)C ZINC001501200046 974548143 /nfs/dbraw/zinc/54/81/43/974548143.db2.gz NIYYVJHOQDGADM-UHFFFAOYSA-N 2 0 291.439 1.965 10 0 CDAERP CCCC[N@@H+]1CCC[C@@](CO)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001501368860 974572681 /nfs/dbraw/zinc/57/26/81/974572681.db2.gz LSKIQTWHQFWAIO-MRXNPFEDSA-N 2 0 299.459 1.070 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](C[C@@H](F)CC)C1 ZINC001376153579 974587534 /nfs/dbraw/zinc/58/75/34/974587534.db2.gz OLXDTCWTWHKJRJ-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]CCF)C1CC1 ZINC001376281237 974621743 /nfs/dbraw/zinc/62/17/43/974621743.db2.gz REOKTRPSMWTCNP-UONOGXRCSA-N 2 0 285.407 1.315 10 0 CDAERP CC[C@H](F)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001502026062 974677125 /nfs/dbraw/zinc/67/71/25/974677125.db2.gz LPEAROVQQHSEQH-STQMWFEESA-N 2 0 285.407 1.315 10 0 CDAERP CC(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001376575115 974690948 /nfs/dbraw/zinc/69/09/48/974690948.db2.gz IUWHHNSHMAAPAJ-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)CC[NH2+]CC1(NC(=O)CC[NH+](C)C)CCOCC1 ZINC001502634954 974759864 /nfs/dbraw/zinc/75/98/64/974759864.db2.gz ACABGODPHJMKAT-UHFFFAOYSA-N 2 0 299.459 1.239 10 0 CDAERP C[C@@H](CCNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CC1CC1 ZINC001377062080 974871378 /nfs/dbraw/zinc/87/13/78/974871378.db2.gz VPWLPCNFPUHURB-ZDUSSCGKSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001377172245 974912497 /nfs/dbraw/zinc/91/24/97/974912497.db2.gz GNPZMUUKNXMBGG-YNEHKIRRSA-N 2 0 278.400 1.607 10 0 CDAERP C[NH+]1CCC(C(=O)N2CCC(C)([NH2+]CCF)CC2)CC1 ZINC001377303412 974967469 /nfs/dbraw/zinc/96/74/69/974967469.db2.gz WIKYRWBDTULFHV-UHFFFAOYSA-N 2 0 285.407 1.268 10 0 CDAERP CC(C)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001505705291 974968905 /nfs/dbraw/zinc/96/89/05/974968905.db2.gz HDRJSIWLCGGJHK-UONOGXRCSA-N 2 0 283.460 1.857 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)C1CCC([NH2+]CCF)CC1 ZINC001505791260 974988631 /nfs/dbraw/zinc/98/86/31/974988631.db2.gz HKYJHKDFUTVQIY-UHFFFAOYSA-N 2 0 287.423 1.655 10 0 CDAERP C[C@@H](F)CC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001377556960 975075327 /nfs/dbraw/zinc/07/53/27/975075327.db2.gz GHPQIDJDDJSIOY-CYBMUJFWSA-N 2 0 297.418 1.411 10 0 CDAERP COCC[N@H+](C)[C@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001506014916 975084807 /nfs/dbraw/zinc/08/48/07/975084807.db2.gz KZSMKXNMTUPLFV-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)C[NH2+]CC1CC(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001377719799 975120159 /nfs/dbraw/zinc/12/01/59/975120159.db2.gz REGXSCFRGQISJD-NFOMZHRRSA-N 2 0 281.444 1.469 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@H](C)NCc1nocc1C ZINC001377885557 975166058 /nfs/dbraw/zinc/16/60/58/975166058.db2.gz SQIXTFKULYEVFI-QWHCGFSZSA-N 2 0 296.415 1.308 10 0 CDAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1C[NH+](CCCF)C1 ZINC001378020179 975207679 /nfs/dbraw/zinc/20/76/79/975207679.db2.gz JMSPILFOUYVBRY-STQMWFEESA-N 2 0 285.407 1.267 10 0 CDAERP O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@H](C[NH2+]CCF)C1 ZINC001506907895 975255378 /nfs/dbraw/zinc/25/53/78/975255378.db2.gz ZXZCNVASXRSPAV-HDJSIYSDSA-N 2 0 285.407 1.316 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC([NH+](C)CC2CC2)CC1 ZINC001506978525 975281746 /nfs/dbraw/zinc/28/17/46/975281746.db2.gz QPNJRMLRNQJSEY-UHFFFAOYSA-N 2 0 281.444 1.659 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)C[NH+](C)C)C1 ZINC001569755784 1169986298 /nfs/dbraw/zinc/98/62/98/1169986298.db2.gz FRBPQTKQZYYYSO-ZIAGYGMSSA-N 2 0 269.433 1.421 10 0 CDAERP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cccnc1 ZINC001378340768 975334349 /nfs/dbraw/zinc/33/43/49/975334349.db2.gz RXLGXBGFDFDKPP-HNNXBMFYSA-N 2 0 290.411 1.162 10 0 CDAERP C[C@@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]C/C=C\Cl ZINC001507150205 975355385 /nfs/dbraw/zinc/35/53/85/975355385.db2.gz UXJADYHORFHYFP-RYBZSIHZSA-N 2 0 285.819 1.271 10 0 CDAERP CCCC[NH2+][C@H](C)CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001507149802 975355420 /nfs/dbraw/zinc/35/54/20/975355420.db2.gz RLVNTSQVOFCNHS-OLZOCXBDSA-N 2 0 257.422 1.563 10 0 CDAERP CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001404442799 975393299 /nfs/dbraw/zinc/39/32/99/975393299.db2.gz CHSHESAPFUUBPW-OAHLLOKOSA-N 2 0 281.444 1.661 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CCCF)CN1C(=O)CCC[NH+]1CCCC1 ZINC001507344709 975425599 /nfs/dbraw/zinc/42/55/99/975425599.db2.gz ZNHWHLLNGRUBIT-HUUCEWRRSA-N 2 0 299.434 1.801 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CCC[C@@H]1C[NH2+]CC1CC1 ZINC001401085661 975453212 /nfs/dbraw/zinc/45/32/12/975453212.db2.gz DXNOIXCXTHWSFF-HUUCEWRRSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)[NH+](C)CC(=O)N(C)C[C@@H]1CC[N@H+]1CCC[C@@H](C)O ZINC001388665342 975545292 /nfs/dbraw/zinc/54/52/92/975545292.db2.gz LANNUCUPRSAXJU-CABCVRRESA-N 2 0 299.459 1.020 10 0 CDAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]C/C=C/Cl ZINC001401286623 975564750 /nfs/dbraw/zinc/56/47/50/975564750.db2.gz BKBWGISLXAADBI-SXQWRXASSA-N 2 0 287.835 1.517 10 0 CDAERP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2CCOC)[NH+](CC)CC ZINC001404991657 975577360 /nfs/dbraw/zinc/57/73/60/975577360.db2.gz UWYJBGARZXIXEZ-KKUMJFAQSA-N 2 0 297.443 1.038 10 0 CDAERP CC(C)[NH2+]CC[C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001405498089 975759233 /nfs/dbraw/zinc/75/92/33/975759233.db2.gz YSFOYLDAZTXZPS-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C[NH2+]C[C@H]1CC(C)(C)CO1)[NH+](C)C ZINC001379381017 975808452 /nfs/dbraw/zinc/80/84/52/975808452.db2.gz CBLCMDOINKZWHR-MGPQQGTHSA-N 2 0 299.459 1.236 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccccc1F)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001401724183 975831902 /nfs/dbraw/zinc/83/19/02/975831902.db2.gz WXHLJWSRJZFSAT-GXTWGEPZSA-N 2 0 293.386 1.372 10 0 CDAERP Cc1ccc(F)cc1C[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001379419652 975832187 /nfs/dbraw/zinc/83/21/87/975832187.db2.gz OMTZQCRSSCXWHO-CYBMUJFWSA-N 2 0 295.402 1.680 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1ccccc1F ZINC001401724303 975832666 /nfs/dbraw/zinc/83/26/66/975832666.db2.gz PGSBZFLRKDWODJ-ZDUSSCGKSA-N 2 0 295.402 1.760 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccccc1F)NC(=O)CC[NH+](C)C ZINC001379554620 975923306 /nfs/dbraw/zinc/92/33/06/975923306.db2.gz XEZYBNLBEHKKNL-LBPRGKRZSA-N 2 0 281.375 1.372 10 0 CDAERP CCC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC1 ZINC001389619539 975934560 /nfs/dbraw/zinc/93/45/60/975934560.db2.gz XIJAQXVYWMFCKW-RRFJBIMHSA-N 2 0 281.444 1.611 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001398557263 976041889 /nfs/dbraw/zinc/04/18/89/976041889.db2.gz SGOWYLKVXWANCN-BPLDGKMQSA-N 2 0 281.444 1.611 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001389996180 976080168 /nfs/dbraw/zinc/08/01/68/976080168.db2.gz YFADZKLOSVPDBY-MCIONIFRSA-N 2 0 285.407 1.313 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+]Cc1cc(C)ns1 ZINC001406548790 976253262 /nfs/dbraw/zinc/25/32/62/976253262.db2.gz SHBDGJIUYRAZKB-LBPRGKRZSA-N 2 0 298.456 1.388 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC ZINC001402481866 976307623 /nfs/dbraw/zinc/30/76/23/976307623.db2.gz UNUWACYWLULGQU-GJZGRUSLSA-N 2 0 281.444 1.804 10 0 CDAERP CC[C@@H](C)C[NH+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001402499816 976319516 /nfs/dbraw/zinc/31/95/16/976319516.db2.gz KEXZBCSBHSBQLA-OAHLLOKOSA-N 2 0 295.471 1.909 10 0 CDAERP CC[C@H](F)C[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001399278852 976408834 /nfs/dbraw/zinc/40/88/34/976408834.db2.gz LSEAMNRBRUIHTD-LSDHHAIUSA-N 2 0 299.434 1.753 10 0 CDAERP CC[C@H](C[NH2+]C[C@@]1(C)CCN(C(=O)CC[NH+](C)C)C1)OC ZINC001380420040 976415605 /nfs/dbraw/zinc/41/56/05/976415605.db2.gz ZTFRYCFBDFJNMH-GDBMZVCRSA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@@H](C(=O)N(C)CCC[N@H+](C)C[C@@H]1CCOC1)[NH+](C)C ZINC001402659594 976429817 /nfs/dbraw/zinc/42/98/17/976429817.db2.gz VOTDSCJVDDTNFJ-GJZGRUSLSA-N 2 0 299.459 1.143 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001407180681 976593675 /nfs/dbraw/zinc/59/36/75/976593675.db2.gz OEUQTMTYUWTGJM-KRWDZBQOSA-N 2 0 289.423 1.719 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NCC1([NH2+]CC[C@H](C)F)CCC1 ZINC001380903552 976599765 /nfs/dbraw/zinc/59/97/65/976599765.db2.gz UCAKZMDGNZTPLL-ZDUSSCGKSA-N 2 0 287.423 1.703 10 0 CDAERP C[C@H](O)C[N@H+](C)CCCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001380969840 976634084 /nfs/dbraw/zinc/63/40/84/976634084.db2.gz JCLWIHQMHMUIDI-AWEZNQCLSA-N 2 0 299.459 1.022 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCF)C2 ZINC001407471077 976672865 /nfs/dbraw/zinc/67/28/65/976672865.db2.gz HBYAFPPKZNUTLO-MJBXVCDLSA-N 2 0 285.407 1.267 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001391103842 976694869 /nfs/dbraw/zinc/69/48/69/976694869.db2.gz GANVSQMSZJPHDZ-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001403090434 976701268 /nfs/dbraw/zinc/70/12/68/976701268.db2.gz FNCXNKLPKASNHX-KBPBESRZSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccsc1 ZINC001403092449 976702191 /nfs/dbraw/zinc/70/21/91/976702191.db2.gz YFAFFMUNBGSDRK-LBPRGKRZSA-N 2 0 293.436 1.438 10 0 CDAERP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)CC1CCCC1 ZINC001403196259 976806984 /nfs/dbraw/zinc/80/69/84/976806984.db2.gz GVWMKMWFYYMAMY-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CCNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001391321361 976813017 /nfs/dbraw/zinc/81/30/17/976813017.db2.gz DBVFKSDXGCIOCZ-CVEARBPZSA-N 2 0 295.471 1.812 10 0 CDAERP C[C@H]1CC[C@@H](C[N@H+](CCNC(=O)CC[NH+](C)C)C2CC2)O1 ZINC001400027741 976812968 /nfs/dbraw/zinc/81/29/68/976812968.db2.gz YWEVLOYHSNLHEL-ZFWWWQNUSA-N 2 0 297.443 1.086 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC[C@H](C)F)C1 ZINC001403217427 976822596 /nfs/dbraw/zinc/82/25/96/976822596.db2.gz QYBYNQOTRZUJEX-STQMWFEESA-N 2 0 273.396 1.265 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccns1 ZINC001381432936 976824100 /nfs/dbraw/zinc/82/41/00/976824100.db2.gz GPDGYHNCKGZYIX-RYUDHWBXSA-N 2 0 298.456 1.468 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](C[C@H](C)CC)C1 ZINC001391403338 976862720 /nfs/dbraw/zinc/86/27/20/976862720.db2.gz VJMHKJPCLYQXHQ-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1cncs1)[NH+](C)C ZINC001403462143 976970134 /nfs/dbraw/zinc/97/01/34/976970134.db2.gz HJBJFBYNGNQEQF-YPMHNXCESA-N 2 0 298.456 1.468 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001391595057 976980186 /nfs/dbraw/zinc/98/01/86/976980186.db2.gz DJBXRLOKSCUCKW-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@@H](NC(=O)C[NH+]1CCCC1)C1C[NH+](CC2CCC2)C1 ZINC001381823441 977042388 /nfs/dbraw/zinc/04/23/88/977042388.db2.gz ZXDIYTDEIATKKA-CYBMUJFWSA-N 2 0 279.428 1.319 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001403557574 977064238 /nfs/dbraw/zinc/06/42/38/977064238.db2.gz PWBRTJXUYYUCKK-CHWSQXEVSA-N 2 0 287.423 1.655 10 0 CDAERP CC(C)CC[N@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001403569933 977073907 /nfs/dbraw/zinc/07/39/07/977073907.db2.gz WVWSIAMBJXXUEA-OAHLLOKOSA-N 2 0 281.444 1.422 10 0 CDAERP CC1(C)CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1[NH2+]CCF ZINC001403845228 977226149 /nfs/dbraw/zinc/22/61/49/977226149.db2.gz YKAUCDQUMJRYIA-CQSZACIVSA-N 2 0 299.434 1.659 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CCC(C)C)C[C@@H]1C ZINC001382316153 977246230 /nfs/dbraw/zinc/24/62/30/977246230.db2.gz OMCPQIOIRGUEQT-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CC[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)CC[C@H](C)F ZINC001403927574 977265890 /nfs/dbraw/zinc/26/58/90/977265890.db2.gz VXIGCURAQIYWIF-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)CC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001404286299 977397954 /nfs/dbraw/zinc/39/79/54/977397954.db2.gz OHZJZASCMQWNTK-UHFFFAOYSA-N 2 0 293.455 1.709 10 0 CDAERP CC[C@@H](F)C[N@H+](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001392692332 977551332 /nfs/dbraw/zinc/55/13/32/977551332.db2.gz ZPUZUVRQZXBXJQ-GXTWGEPZSA-N 2 0 287.423 1.513 10 0 CDAERP CC(C)C[N@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001492816194 977646135 /nfs/dbraw/zinc/64/61/35/977646135.db2.gz CEBXKCZACIGTJJ-HUUCEWRRSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)C[N@H+](C)CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001492816193 977646330 /nfs/dbraw/zinc/64/63/30/977646330.db2.gz CEBXKCZACIGTJJ-GJZGRUSLSA-N 2 0 283.460 1.811 10 0 CDAERP C[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)CC1CCC1 ZINC001492816303 977647100 /nfs/dbraw/zinc/64/71/00/977647100.db2.gz FZAOUQPIRAGQAI-CQSZACIVSA-N 2 0 267.417 1.176 10 0 CDAERP CO[C@H](C)C[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001392924118 977652530 /nfs/dbraw/zinc/65/25/30/977652530.db2.gz HCGXBPGZYARSGH-CYBMUJFWSA-N 2 0 297.443 1.134 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001392990276 977669067 /nfs/dbraw/zinc/66/90/67/977669067.db2.gz DTWJRTCZUWZJFT-QGZVFWFLSA-N 2 0 295.471 1.909 10 0 CDAERP CCC[NH+]1CCC2(CN(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001393500683 977807464 /nfs/dbraw/zinc/80/74/64/977807464.db2.gz IWJKWDMBKLUIEM-UHFFFAOYSA-N 2 0 281.444 1.663 10 0 CDAERP CC(C)N(CC[N@H+](C)CCO)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001394803485 978265885 /nfs/dbraw/zinc/26/58/85/978265885.db2.gz CDPSDNDJBKJHCY-HNNXBMFYSA-N 2 0 299.459 1.022 10 0 CDAERP CN(C(=O)CC[NH+](C)C)C1CC([NH2+]Cc2cncs2)C1 ZINC001394859885 978286170 /nfs/dbraw/zinc/28/61/70/978286170.db2.gz QZDHGGXUPPMBFA-UHFFFAOYSA-N 2 0 296.440 1.174 10 0 CDAERP CCCC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001676018395 1174174359 /nfs/dbraw/zinc/17/43/59/1174174359.db2.gz LVNUCJXPLWHRII-KBPBESRZSA-N 2 0 269.433 1.613 10 0 CDAERP CCC[NH2+]C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)(C)C ZINC001677281814 1174345530 /nfs/dbraw/zinc/34/55/30/1174345530.db2.gz NGWJKRNVARVYER-KGLIPLIRSA-N 2 0 283.460 1.859 10 0 CDAERP CCC1([NH2+]CCCO)CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001570265521 1170123349 /nfs/dbraw/zinc/12/33/49/1170123349.db2.gz QJWWPADNDCOKKG-UHFFFAOYSA-N 2 0 299.459 1.070 10 0 CDAERP CC(C)=CC[NH+]1CC([C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001570854112 1170302947 /nfs/dbraw/zinc/30/29/47/1170302947.db2.gz PGTGLVPUKMQIRA-HUUCEWRRSA-N 2 0 293.455 1.731 10 0 CDAERP C[C@@H](C(=O)NCCCCc1cc[nH+]c(N)c1)[NH+](C)C ZINC001654071688 1171591572 /nfs/dbraw/zinc/59/15/72/1171591572.db2.gz LAJCYSXJPBEJNE-NSHDSACASA-N 2 0 264.373 1.053 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H]1CC ZINC001656752346 1171869918 /nfs/dbraw/zinc/86/99/18/1171869918.db2.gz BYXFYWDFMRDQTJ-MJBXVCDLSA-N 2 0 269.433 1.706 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000601004777 342457789 /nfs/dbraw/zinc/45/77/89/342457789.db2.gz SSORITJNYBDRGE-KFWWJZLASA-N 2 0 281.444 1.850 10 0 CDAERP C[NH+](C)CCC1CCN(C(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000618560773 349485498 /nfs/dbraw/zinc/48/54/98/349485498.db2.gz OQSYVYMEGOHDNC-HNNXBMFYSA-N 2 0 296.459 1.454 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000618547092 349478769 /nfs/dbraw/zinc/47/87/69/349478769.db2.gz ASMSPWKSHJOGNP-CQSZACIVSA-N 2 0 296.459 1.644 10 0 CDAERP C[C@@H]1CCC[N@H+](CCNC(=O)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000618555330 349479916 /nfs/dbraw/zinc/47/99/16/349479916.db2.gz UBBTWJQVSGZSLP-ZIAGYGMSSA-N 2 0 282.432 1.112 10 0 CDAERP Cc1cccc2ncc(C[NH2+]CCC3(C[NH3+])CC3)n21 ZINC000650712396 398155860 /nfs/dbraw/zinc/15/58/60/398155860.db2.gz CISIZYMCTNEPDB-UHFFFAOYSA-N 2 0 258.369 1.861 10 0 CDAERP CC(C)C[N@H+](C)CCCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000650740627 398171804 /nfs/dbraw/zinc/17/18/04/398171804.db2.gz NNCJYMMVDONFNK-BRWVUGGUSA-N 2 0 297.487 1.711 10 0 CDAERP NC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000650743216 398172556 /nfs/dbraw/zinc/17/25/56/398172556.db2.gz OMZNCTWGWVDJOO-MEBFFEOJSA-N 2 0 265.401 1.151 10 0 CDAERP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)C[C@@H]1COCCN1 ZINC000650755430 398180188 /nfs/dbraw/zinc/18/01/88/398180188.db2.gz FASINVBVWLVKCV-CZUORRHYSA-N 2 0 277.412 1.263 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N2CCN(CC)CC2)CC1 ZINC000157632539 342005777 /nfs/dbraw/zinc/00/57/77/342005777.db2.gz NQBATFXERXMKBR-UHFFFAOYSA-N 2 0 296.459 1.456 10 0 CDAERP CC[NH+]1CCC([NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)CC1 ZINC000367125699 361768108 /nfs/dbraw/zinc/76/81/08/361768108.db2.gz HSGFNSZLGGPBLM-GDBMZVCRSA-N 2 0 296.455 1.628 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000136195677 342071457 /nfs/dbraw/zinc/07/14/57/342071457.db2.gz YVMYTUZVTPFMPX-HOCLYGCPSA-N 2 0 281.444 1.899 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000591871885 342649046 /nfs/dbraw/zinc/64/90/46/342649046.db2.gz VFBYLTHTJABKNT-OLZOCXBDSA-N 2 0 253.390 1.071 10 0 CDAERP CCOC(=O)CCC1CC[NH+](CC(C)(C)[NH3+])CC1 ZINC000592429896 342694992 /nfs/dbraw/zinc/69/49/92/342694992.db2.gz OIZUMZSIRGQCJV-UHFFFAOYSA-N 2 0 256.390 1.779 10 0 CDAERP C[NH2+][C@@H]1CCC[C@H]1N1CC[NH+](Cc2ccccc2)CC1 ZINC000409440030 342169710 /nfs/dbraw/zinc/16/97/10/342169710.db2.gz JJFGWLMVUUVFNF-IAGOWNOFSA-N 2 0 273.424 1.945 10 0 CDAERP CN(C[C@H](O)C[NH2+][C@@]1(CO)CCCC(C)(C)C1)C1CC1 ZINC000625836425 342203169 /nfs/dbraw/zinc/20/31/69/342203169.db2.gz GEOYRFLOCASYGS-ZBFHGGJFSA-N 2 0 284.444 1.362 10 0 CDAERP Cc1ccccc1C[C@H](C)[NH2+]CCOCCC[NH3+] ZINC000629399447 361935146 /nfs/dbraw/zinc/93/51/46/361935146.db2.gz GVKZYPIBBLYQMU-AWEZNQCLSA-N 2 0 250.386 1.881 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000629405876 361943921 /nfs/dbraw/zinc/94/39/21/361943921.db2.gz WJPWRKYAWIRXHU-WBVHZDCISA-N 2 0 291.439 1.475 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000629406861 361949134 /nfs/dbraw/zinc/94/91/34/361949134.db2.gz ZKZYURRUSXSLKD-WBVHZDCISA-N 2 0 291.439 1.333 10 0 CDAERP CO[C@@H]1CCC[C@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)C1 ZINC000234825101 539043888 /nfs/dbraw/zinc/04/38/88/539043888.db2.gz NHOBYCMSOQKLJP-LSDHHAIUSA-N 2 0 283.460 1.560 10 0 CDAERP O=C(NCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000339065861 539067552 /nfs/dbraw/zinc/06/75/52/539067552.db2.gz HTTYISIJMCMCBR-CVEARBPZSA-N 2 0 287.407 1.633 10 0 CDAERP [NH3+]CC1([C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000669377353 539072098 /nfs/dbraw/zinc/07/20/98/539072098.db2.gz NCSINUSLVZIAME-MRXNPFEDSA-N 2 0 260.381 1.752 10 0 CDAERP CC(C)(C)OC(=O)N[C@H]1C[NH2+]CC[C@H]1C1CC[NH2+]CC1 ZINC000669385052 539072616 /nfs/dbraw/zinc/07/26/16/539072616.db2.gz VLTPSFFMAYCCTP-STQMWFEESA-N 2 0 283.416 1.489 10 0 CDAERP C/C=C/C[NH2+][C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000600709533 342243473 /nfs/dbraw/zinc/24/34/73/342243473.db2.gz KTIDBJSRIVZWCJ-FUEXJSSKSA-N 2 0 254.374 1.474 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CC2CCCC2)CC[N@@H+]1C ZINC000300072640 342254958 /nfs/dbraw/zinc/25/49/58/342254958.db2.gz SOWCATULPLQSDR-VHDGCEQUSA-N 2 0 254.418 2.000 10 0 CDAERP C[C@@H]([NH2+]C1CCC(C(N)=O)CC1)C1CC[NH+](C)CC1 ZINC000037152152 539141909 /nfs/dbraw/zinc/14/19/09/539141909.db2.gz BDOFJWMVOPLYIJ-LMWSTFAQSA-N 2 0 267.417 1.350 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000186392488 539147797 /nfs/dbraw/zinc/14/77/97/539147797.db2.gz CNBJCTMIANDLLY-KGLIPLIRSA-N 2 0 284.448 1.452 10 0 CDAERP CC[NH+](CC)CCC[NH2+][C@H](C)[C@H]1C[C@@H]1C(=O)OC ZINC000594929285 342974507 /nfs/dbraw/zinc/97/45/07/342974507.db2.gz TVGZHBDGCDHQFW-UPJWGTAASA-N 2 0 256.390 1.506 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CCC[N@H+](C)CC(C)C ZINC000594947407 342981281 /nfs/dbraw/zinc/98/12/81/342981281.db2.gz CZVXLGAAQQTURQ-BFHYXJOUSA-N 2 0 270.417 1.752 10 0 CDAERP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCCC2(CC2)CC1 ZINC000626115384 342357292 /nfs/dbraw/zinc/35/72/92/342357292.db2.gz RLFHWQYEMVKVHN-CQSZACIVSA-N 2 0 254.418 1.954 10 0 CDAERP CCC[C@H](C)CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000629511952 362122814 /nfs/dbraw/zinc/12/28/14/362122814.db2.gz NYGUNRFPKFXPTO-GJZGRUSLSA-N 2 0 283.460 1.990 10 0 CDAERP COC(=O)[C@H]1C[C@@H]([N@H+](C)CC[C@@H]2CCC[NH2+]C2)C1 ZINC000595905317 343188489 /nfs/dbraw/zinc/18/84/89/343188489.db2.gz UEAQKDYQLCEMOG-RWMBFGLXSA-N 2 0 254.374 1.260 10 0 CDAERP [NH3+]Cc1cc(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)ccn1 ZINC000645105418 362119378 /nfs/dbraw/zinc/11/93/78/362119378.db2.gz NOHUGPBBXWORTQ-UKRRQHHQSA-N 2 0 288.395 1.145 10 0 CDAERP COC[C@H]1C[N@H+](Cc2c(C)n[nH]c2C)CC12CC[NH2+]CC2 ZINC000169789995 362141800 /nfs/dbraw/zinc/14/18/00/362141800.db2.gz ZOZJRSPBSCMKTP-CQSZACIVSA-N 2 0 292.427 1.475 10 0 CDAERP C[NH+](C)CC1CCN(c2nc(N)[nH+]c3c2CCCC3)CC1 ZINC000645127452 362136077 /nfs/dbraw/zinc/13/60/77/362136077.db2.gz OZUYIWFOODCPPK-UHFFFAOYSA-N 2 0 289.427 1.546 10 0 CDAERP C[NH+](CCCO)Cc1cccc(C[N@H+](C)CCCO)c1 ZINC000082146516 342375138 /nfs/dbraw/zinc/37/51/38/342375138.db2.gz BYWNPAXVTJOCCW-UHFFFAOYSA-N 2 0 280.412 1.315 10 0 CDAERP C[C@H](c1nc([C@@H]2C[NH2+]CCN2C)no1)N1CCCCCC1 ZINC000263175463 362176437 /nfs/dbraw/zinc/17/64/37/362176437.db2.gz GDIDCTFRBKAXGH-OLZOCXBDSA-N 2 0 293.415 1.583 10 0 CDAERP C(C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)OC1CCOCC1 ZINC000629533073 362170568 /nfs/dbraw/zinc/17/05/68/362170568.db2.gz GLTJIJLIEKGXRO-GJZGRUSLSA-N 2 0 282.428 1.504 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000257646412 344369911 /nfs/dbraw/zinc/36/99/11/344369911.db2.gz AIBNZBRGVPOOEN-KBPBESRZSA-N 2 0 267.417 1.367 10 0 CDAERP CC[C@@H](CC[NH3+])CCC(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC000083709233 178721312 /nfs/dbraw/zinc/72/13/12/178721312.db2.gz CNFAPBJYTWYDSM-TZMCWYRMSA-N 2 0 267.417 1.352 10 0 CDAERP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000606650540 345046236 /nfs/dbraw/zinc/04/62/36/345046236.db2.gz QMMWCYGIEFZUHD-KGLIPLIRSA-N 2 0 282.432 1.062 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079512372 362644788 /nfs/dbraw/zinc/64/47/88/362644788.db2.gz RORHOQVVCFHZIN-TZMCWYRMSA-N 2 0 255.406 1.221 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC000079512743 362645182 /nfs/dbraw/zinc/64/51/82/362645182.db2.gz JBQNUHHRKBAMIM-HNNXBMFYSA-N 2 0 267.417 1.509 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CCCn2cncn2)CC1(C)C ZINC000623349670 346077030 /nfs/dbraw/zinc/07/70/30/346077030.db2.gz IXJBHNLBFFNMOL-GFCCVEGCSA-N 2 0 251.378 1.131 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C[C@@](C)(CO)[NH2+]C(C)C ZINC000085241756 178982851 /nfs/dbraw/zinc/98/28/51/178982851.db2.gz QZXGDHJGRDAEJH-HNNXBMFYSA-N 2 0 273.465 1.255 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)CN1CC[NH+](C)CC1 ZINC000623402282 346165983 /nfs/dbraw/zinc/16/59/83/346165983.db2.gz FEUQOOCYDAYUKR-HZPDHXFCSA-N 3 0 296.503 1.332 10 0 CDAERP C[C@@H](C[C@@](C)(O)C[NH3+])[N@H+](C)CCc1ccncc1 ZINC000085300452 179010257 /nfs/dbraw/zinc/01/02/57/179010257.db2.gz VYPJWQWTRZKBCL-GXTWGEPZSA-N 2 0 251.374 1.044 10 0 CDAERP [NH3+][C@H]1CCCC[C@H]1C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000085368464 179038120 /nfs/dbraw/zinc/03/81/20/179038120.db2.gz FOLALOZMNSJPQC-MCIONIFRSA-N 2 0 265.401 1.201 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CCCC[C@@H]1[NH3+])C[NH+]1CCCCC1 ZINC000085369672 179039896 /nfs/dbraw/zinc/03/98/96/179039896.db2.gz TZESFPYFUHDCCO-KKUMJFAQSA-N 2 0 281.444 1.742 10 0 CDAERP CC(C)(C)[NH+]1CCC(NC[C@H]2CCCC[N@@H+]2CCO)CC1 ZINC000449389206 362684479 /nfs/dbraw/zinc/68/44/79/362684479.db2.gz CEVNWZVVCBOSSZ-MRXNPFEDSA-N 2 0 297.487 1.686 10 0 CDAERP O=C(C[N@@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1)NC1CC1 ZINC000085403822 179052897 /nfs/dbraw/zinc/05/28/97/179052897.db2.gz URBJSUNOIAXFGK-OAHLLOKOSA-N 2 0 279.428 1.509 10 0 CDAERP COCC[N@H+](C)CCn1c2c(nc1C(C)C)C[NH2+]CC2 ZINC000085571119 179096998 /nfs/dbraw/zinc/09/69/98/179096998.db2.gz CJJUVJRQJRNDCL-UHFFFAOYSA-N 2 0 280.416 1.230 10 0 CDAERP CC(C)C[C@H]1C[N@H+](CCCn2ccnc2)CCC[NH2+]1 ZINC000085611065 179102178 /nfs/dbraw/zinc/10/21/78/179102178.db2.gz FLVVEZUGOYLCKU-HNNXBMFYSA-N 2 0 264.417 1.983 10 0 CDAERP CCc1ccc([C@@H](CNC(=O)C2C[NH2+]C2)[NH+](C)C)cc1 ZINC000263305179 362765923 /nfs/dbraw/zinc/76/59/23/362765923.db2.gz OFPYOYKBVAPZCV-OAHLLOKOSA-N 2 0 275.396 1.187 10 0 CDAERP CCN(CCC[NH+](CC)CC)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000230712896 346556055 /nfs/dbraw/zinc/55/60/55/346556055.db2.gz YLBQLIHJAUCTAR-HNNXBMFYSA-N 2 0 283.460 1.957 10 0 CDAERP CCN(CCC[NH+](CC)CC)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000230712899 346556352 /nfs/dbraw/zinc/55/63/52/346556352.db2.gz YLBQLIHJAUCTAR-OAHLLOKOSA-N 2 0 283.460 1.957 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CC(=O)N(C3CC3)C2)CC1(C)C ZINC000623439546 346758642 /nfs/dbraw/zinc/75/86/42/346758642.db2.gz NWTNCYGSPWADPX-VXGBXAGGSA-N 2 0 265.401 1.212 10 0 CDAERP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(-c2cnn(C)c2)no1 ZINC000566244264 370657216 /nfs/dbraw/zinc/65/72/16/370657216.db2.gz HACUSSVLYVSSMU-WDEREUQCSA-N 2 0 275.356 1.244 10 0 CDAERP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H](C)CO)CC1 ZINC000088736879 347237451 /nfs/dbraw/zinc/23/74/51/347237451.db2.gz GQTWHKPDVOYLQO-HNNXBMFYSA-N 2 0 291.439 1.689 10 0 CDAERP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000085967470 179206034 /nfs/dbraw/zinc/20/60/34/179206034.db2.gz TYKREDSURBDTDS-ZFWWWQNUSA-N 2 0 254.418 2.000 10 0 CDAERP C[NH+]1CCC(C[N@@H+]2CCNC3(CCCC3)C2)CC1 ZINC000086145629 179237943 /nfs/dbraw/zinc/23/79/43/179237943.db2.gz MVZJQJQYIVWOQR-UHFFFAOYSA-N 2 0 251.418 1.546 10 0 CDAERP C1CCC2(C1)CN([C@H]1CC[N@@H+]3CCCC[C@@H]13)CC[NH2+]2 ZINC000086144822 179238109 /nfs/dbraw/zinc/23/81/09/179238109.db2.gz NFYLPBHSJYHTHS-GJZGRUSLSA-N 2 0 263.429 1.831 10 0 CDAERP C[N@@H+]1CCC[C@H](CN2CC[NH2+]C[C@@H]2c2ccccc2)C1 ZINC000086177555 179246188 /nfs/dbraw/zinc/24/61/88/179246188.db2.gz JDYJYIWMBWLXNM-DOTOQJQBSA-N 2 0 273.424 1.975 10 0 CDAERP CC[C@H]1CN([C@@H]2CC[N@@H+](C3CC3)C2)[C@@H](CC)C[NH2+]1 ZINC000086259654 179258960 /nfs/dbraw/zinc/25/89/60/179258960.db2.gz UYHKONLTNKCAFF-KCQAQPDRSA-N 2 0 251.418 1.686 10 0 CDAERP Cc1cncn1CC(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000623510860 347610816 /nfs/dbraw/zinc/61/08/16/347610816.db2.gz OIFWGSVBZAFREC-CYBMUJFWSA-N 2 0 278.400 1.572 10 0 CDAERP CC[C@@H]([NH3+])[C@@H](c1cccnc1)N(C)CC[NH+](C)C ZINC000104200714 185927780 /nfs/dbraw/zinc/92/77/80/185927780.db2.gz NERDUJMUCXTJCT-ZIAGYGMSSA-N 2 0 250.390 1.353 10 0 CDAERP CCO[C@@H](C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1)C1CC1 ZINC000629536243 362951081 /nfs/dbraw/zinc/95/10/81/362951081.db2.gz GOAGXOACUGNULC-GJZGRUSLSA-N 2 0 293.415 1.189 10 0 CDAERP CC[C@@H]1CN(C(=O)[C@@H](C)[NH2+]C(C)(C)CC)C[C@H](C)[NH2+]1 ZINC000620899711 350371238 /nfs/dbraw/zinc/37/12/38/350371238.db2.gz PVKKYTCPZMRIBF-YNEHKIRRSA-N 2 0 269.433 1.752 10 0 CDAERP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)CC[NH2+]1 ZINC000414694874 365966699 /nfs/dbraw/zinc/96/66/99/365966699.db2.gz GIJCHLUCEHXKPT-VWYCJHECSA-N 2 0 266.307 1.374 10 0 CDAERP Cc1cc(CN2CCCC[C@@H]([NH+]3CCN(C)CC3)C2)no1 ZINC000174888662 365982152 /nfs/dbraw/zinc/98/21/52/365982152.db2.gz KFSQCKYLJSXKFP-MRXNPFEDSA-N 2 0 292.427 1.585 10 0 CDAERP CCO[C@@H]1CN(Cc2cc(CO)ccc2F)C[C@H]1C[NH3+] ZINC000629550014 362983472 /nfs/dbraw/zinc/98/34/72/362983472.db2.gz WCLTZFCLHHENHE-UKRRQHHQSA-N 2 0 282.359 1.114 10 0 CDAERP Cn1cnc(CC[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000313261866 350825228 /nfs/dbraw/zinc/82/52/28/350825228.db2.gz JYQISEKBJZDNNG-GJZGRUSLSA-N 2 0 256.353 1.697 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCCC12CC2 ZINC000629555265 362989531 /nfs/dbraw/zinc/98/95/31/362989531.db2.gz STRQHNWELUOOKS-CRWXNKLISA-N 2 0 252.402 1.909 10 0 CDAERP C[C@@H](NC(=O)N[C@@H]1CCCC[NH2+]C1)C1=CC[N@H+](C)CC1 ZINC000333551877 363027133 /nfs/dbraw/zinc/02/71/33/363027133.db2.gz KHOHSQMDJPSXOX-TZMCWYRMSA-N 2 0 280.416 1.078 10 0 CDAERP C[NH+]1CCC(N2CCC([NH2+]Cc3cn[nH]c3)CC2)CC1 ZINC000624218523 351489437 /nfs/dbraw/zinc/48/94/37/351489437.db2.gz MJVIQWFZOJUIPY-UHFFFAOYSA-N 2 0 277.416 1.058 10 0 CDAERP CCC[NH2+][C@@H](C)C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000566259217 370661302 /nfs/dbraw/zinc/66/13/02/370661302.db2.gz RDKDXSMTDNKPRQ-SWLSCSKDSA-N 2 0 275.396 1.459 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)CC[N@@H+]1C ZINC000469506094 291045322 /nfs/dbraw/zinc/04/53/22/291045322.db2.gz BYECXFPGNWFNDJ-XQLPTFJDSA-N 2 0 279.428 1.460 10 0 CDAERP CC1CC[NH+](CCCNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000091540534 535279839 /nfs/dbraw/zinc/27/98/39/535279839.db2.gz KUCOLPDOOXDSDK-ZIAGYGMSSA-N 2 0 267.417 1.352 10 0 CDAERP C[C@H]1C[C@@H](N(C)C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC[N@@H+]1C ZINC000261833155 291059750 /nfs/dbraw/zinc/05/97/50/291059750.db2.gz UIDZKZKKCLSFJP-RFQIPJPRSA-N 2 0 267.417 1.303 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCNc2ccccn2)[C@H]2CCC[C@H]21 ZINC000367615530 283136492 /nfs/dbraw/zinc/13/64/92/283136492.db2.gz LFZIXCZOXQWYEZ-QLFBSQMISA-N 2 0 274.412 1.956 10 0 CDAERP CC(C)[C@H](C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C)[C@@H](C)[NH3+] ZINC000399731877 356019208 /nfs/dbraw/zinc/01/92/08/356019208.db2.gz MDKQDKCSJZPATD-XGUBFFRZSA-N 2 0 281.444 1.691 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](CO)CC2)[C@@H]2CCC[C@H]21 ZINC000453135743 283142563 /nfs/dbraw/zinc/14/25/63/283142563.db2.gz KAGQXJZLZZTXIL-UVPYHEFZSA-N 2 0 266.429 2.000 10 0 CDAERP O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634766145 358503351 /nfs/dbraw/zinc/50/33/51/358503351.db2.gz SPVZJGAYDFCROE-YXWQFLTLSA-N 2 0 277.412 1.119 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000037826183 356543697 /nfs/dbraw/zinc/54/36/97/356543697.db2.gz YXCYCYZUIOTZHM-UHFFFAOYSA-N 2 0 267.417 1.320 10 0 CDAERP Cn1cc(C[NH2+]CCC[NH2+]CCO)c2ccccc21 ZINC000057353462 357355265 /nfs/dbraw/zinc/35/52/65/357355265.db2.gz DFOZOSOEQLZOPV-UHFFFAOYSA-N 2 0 261.369 1.240 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)CC(C)(C)[NH3+])[C@@H](C)C1 ZINC000236848008 357577609 /nfs/dbraw/zinc/57/76/09/357577609.db2.gz CPPHQXLEJGKPIF-RYUDHWBXSA-N 2 0 255.406 1.303 10 0 CDAERP CC[NH+](CC)CCC[NH2+][C@@H](COC)C1CCOCC1 ZINC000187671722 357792500 /nfs/dbraw/zinc/79/25/00/357792500.db2.gz ZGUHVKZRCFDVRV-HNNXBMFYSA-N 2 0 272.433 1.750 10 0 CDAERP COC[C@H](C)C[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000187681542 357795150 /nfs/dbraw/zinc/79/51/50/357795150.db2.gz LMTAZQFUHQCVBD-CQSZACIVSA-N 2 0 280.412 1.999 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCOCCOC)[C@@H](C)C1 ZINC000247003063 140285917 /nfs/dbraw/zinc/28/59/17/140285917.db2.gz LAPIYYWDNCZOKY-KBPBESRZSA-N 2 0 258.406 1.312 10 0 CDAERP C[C@H]1CN(C)CCN1C(=O)c1cc(-n2ccnc2)ccn1 ZINC000408144836 358183033 /nfs/dbraw/zinc/18/30/33/358183033.db2.gz NZCDQAJHESRQAA-LBPRGKRZSA-N 2 0 285.351 1.043 10 0 CDAERP Cc1nccn1CCCC[N@@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000634742969 358184738 /nfs/dbraw/zinc/18/47/38/358184738.db2.gz FBCQLBWAWXWDKN-OAHLLOKOSA-N 2 0 292.427 1.914 10 0 CDAERP C[C@@H]1C[C@H](NCc2nnc3ccccn32)CC[N@@H+]1C ZINC000127780875 358248454 /nfs/dbraw/zinc/24/84/54/358248454.db2.gz UPAHMHYCSFLEGF-VXGBXAGGSA-N 2 0 259.357 1.302 10 0 CDAERP C[NH+](C)CC1CCN(C(=O)c2c[nH+]ccc2N)CC1 ZINC000127398821 358232858 /nfs/dbraw/zinc/23/28/58/358232858.db2.gz ACWGGUCCUFZRQK-UHFFFAOYSA-N 2 0 262.357 1.078 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccnc(C[NH3+])c1 ZINC000130404934 358306458 /nfs/dbraw/zinc/30/64/58/358306458.db2.gz UPTDORCJQYJOBY-IUODEOHRSA-N 2 0 288.395 1.239 10 0 CDAERP C[NH+](C)CC1CN([C@@H](C[NH3+])C(F)(F)C(F)(F)F)C1 ZINC000616568487 358428154 /nfs/dbraw/zinc/42/81/54/358428154.db2.gz AZNNLKKNRUKRSL-QMMMGPOBSA-N 2 0 275.265 1.005 10 0 CDAERP C[C@@H](Cc1ccoc1)[NH2+]C[C@@H]1CCCN1CCCO ZINC000449388655 358527675 /nfs/dbraw/zinc/52/76/75/358527675.db2.gz PSSWYGHXTWQMBB-ZFWWWQNUSA-N 2 0 266.385 1.647 10 0 CDAERP CC[NH+]1CCC(N2CCC[N@H+](C[C@H](C)COC)CC2)CC1 ZINC000569588116 358648776 /nfs/dbraw/zinc/64/87/76/358648776.db2.gz CCUFCKOWOPJBEU-INIZCTEOSA-N 2 0 297.487 1.761 10 0 CDAERP COc1cc(C)nc(CN2CC[C@@H]3C[N@H+](C)C[C@H]32)c1 ZINC000644734034 366482203 /nfs/dbraw/zinc/48/22/03/366482203.db2.gz XGYRLOHRNKDNFQ-IUODEOHRSA-N 2 0 261.369 1.535 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)CC[C@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000261875357 359074507 /nfs/dbraw/zinc/07/45/07/359074507.db2.gz RDJBITKMESKNPA-RDBSUJKOSA-N 2 0 267.417 1.317 10 0 CDAERP Cc1ccc(C[N@H+](CCO)C[C@]2(C)CC[NH2+]C2)cc1 ZINC000261916391 359088371 /nfs/dbraw/zinc/08/83/71/359088371.db2.gz ZMIKJRZRARUGRR-MRXNPFEDSA-N 2 0 262.397 1.789 10 0 CDAERP C[N@H+](CC1CC1)C[C@H]1CCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261948498 359099368 /nfs/dbraw/zinc/09/93/68/359099368.db2.gz FSTOQLISCUJATK-CVEARBPZSA-N 3 0 265.445 1.650 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000037643439 359122553 /nfs/dbraw/zinc/12/25/53/359122553.db2.gz ILJLVVNSNOCDOF-QPSCCSFWSA-N 2 0 279.428 1.365 10 0 CDAERP C[C@@H](CN(C)Cc1ccccc1)[NH2+][C@@H]1CCCNC(=O)C1 ZINC000309925567 359316099 /nfs/dbraw/zinc/31/60/99/359316099.db2.gz XFWBVAVZRATKPF-GOEBONIOSA-N 2 0 289.423 1.765 10 0 CDAERP CCN(C(=O)C[NH+](C)CC(C)(C)C)[C@H]1CC[N@H+](C)C1 ZINC000636160036 363658657 /nfs/dbraw/zinc/65/86/57/363658657.db2.gz KBRICTHWZUYKCE-ZDUSSCGKSA-N 2 0 269.433 1.517 10 0 CDAERP C[C@H](C[NH2+][C@H](C1CC1)[C@H]1CNCCO1)C[NH+]1CCCCC1 ZINC000422717810 359652253 /nfs/dbraw/zinc/65/22/53/359652253.db2.gz WIAIMHAAQNWAOX-DJIMGWMZSA-N 2 0 295.471 1.465 10 0 CDAERP CN1CCN(C(=O)CC[NH2+][C@H]2CC[C@@H]2C(C)(C)C)CC1 ZINC000348099613 359834644 /nfs/dbraw/zinc/83/46/44/359834644.db2.gz CBPJTFVRGGQPCX-KBPBESRZSA-N 2 0 281.444 1.565 10 0 CDAERP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000335486442 283489729 /nfs/dbraw/zinc/48/97/29/283489729.db2.gz LLKQOMVFLSXSET-DZGCQCFKSA-N 2 0 288.395 1.006 10 0 CDAERP CC(C)[NH+](CCCNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C)C(C)C ZINC000417800055 359861888 /nfs/dbraw/zinc/86/18/88/359861888.db2.gz SHCKSAWDSBWOFK-GJZGRUSLSA-N 2 0 298.475 1.793 10 0 CDAERP CC(C)[NH+]1CCC(N2CC[NH+](CC[C@H](C)O)CC2)CC1 ZINC000336826707 359897191 /nfs/dbraw/zinc/89/71/91/359897191.db2.gz TZFOBXACEVXLPD-HNNXBMFYSA-N 2 0 283.460 1.248 10 0 CDAERP OC1(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CCC1 ZINC000348303078 359983054 /nfs/dbraw/zinc/98/30/54/359983054.db2.gz CONCAFGGLJHDGT-CALCHBBNSA-N 2 0 286.419 1.965 10 0 CDAERP Cn1cncc1CCC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000514796481 360381850 /nfs/dbraw/zinc/38/18/50/360381850.db2.gz QRKJYFIFKDGRIM-OAHLLOKOSA-N 2 0 262.401 1.380 10 0 CDAERP C[NH+]1CCN(CCC[NH2+][C@H]2CC[C@@H]2C2CCC2)CC1 ZINC000337998215 360608011 /nfs/dbraw/zinc/60/80/11/360608011.db2.gz RHZCRPJOGHGDFD-CVEARBPZSA-N 2 0 265.445 1.792 10 0 CDAERP C1CSC[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000335642379 360686879 /nfs/dbraw/zinc/68/68/79/360686879.db2.gz JGCBOIRSMNLLEC-SHARSMKWSA-N 2 0 283.485 1.688 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C[NH2+]1 ZINC000626938008 360658530 /nfs/dbraw/zinc/65/85/30/360658530.db2.gz LYDPGTFKGUJBJH-MQYQWHSLSA-N 2 0 280.416 1.053 10 0 CDAERP C[C@H](CNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)C[NH+]1CCCC1 ZINC000626942577 360667445 /nfs/dbraw/zinc/66/74/45/360667445.db2.gz MWOCBWIFKUTVAB-MCIONIFRSA-N 2 0 282.432 1.158 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)C(C)(C)N2CCOCC2)CC[N@@H+]1C ZINC000338184515 360752083 /nfs/dbraw/zinc/75/20/83/360752083.db2.gz CAMLTNZSOZEMTO-ZIAGYGMSSA-N 2 0 297.443 1.038 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)C[N@@H+]1C1CC1 ZINC000417861213 360785094 /nfs/dbraw/zinc/78/50/94/360785094.db2.gz XSINLEZYQJKLFG-TYNCELHUSA-N 2 0 292.427 1.148 10 0 CDAERP C[NH+](C)CC(C)(C)CNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000431566247 361012202 /nfs/dbraw/zinc/01/22/02/361012202.db2.gz QGOJXYIYUKVIQM-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP COc1cc(C[C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)ccn1 ZINC000639313255 361056201 /nfs/dbraw/zinc/05/62/01/361056201.db2.gz VGDMOOFIJMYHPJ-YUELXQCFSA-N 2 0 277.412 1.951 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000433902283 361278008 /nfs/dbraw/zinc/27/80/08/361278008.db2.gz BHSBRZSYYJBXJZ-LSDHHAIUSA-N 2 0 294.443 1.397 10 0 CDAERP OCC[C@@H]1CSCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000565093115 361260596 /nfs/dbraw/zinc/26/05/96/361260596.db2.gz JNDGTIDTGJUSIO-MRXNPFEDSA-N 2 0 292.448 1.632 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](CC)C2)[C@@H]1SC ZINC000459395653 364221151 /nfs/dbraw/zinc/22/11/51/364221151.db2.gz UPOYHZQGNPPPSK-RQJABVFESA-N 2 0 272.458 1.827 10 0 CDAERP CCC[C@H]([NH3+])C(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000167772141 364359377 /nfs/dbraw/zinc/35/93/77/364359377.db2.gz YEMKDVIHNBRQHD-KBPBESRZSA-N 2 0 267.417 1.591 10 0 CDAERP c1nc2n(n1)[C@H](C[N@@H+]1CCCN(c3cc[nH+]cc3)CC1)CC2 ZINC000639685527 364424922 /nfs/dbraw/zinc/42/49/22/364424922.db2.gz URBLQJJIXXLNQM-HNNXBMFYSA-N 2 0 298.394 1.373 10 0 CDAERP COC[C@H](C)C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000187220981 364723733 /nfs/dbraw/zinc/72/37/33/364723733.db2.gz UOXAGZZLNLGLPK-ZIAGYGMSSA-N 2 0 272.433 1.294 10 0 CDAERP CC[NH+]1CCC(C[NH2+][C@H](COC)C2CCOCC2)CC1 ZINC000514651168 364819954 /nfs/dbraw/zinc/81/99/54/364819954.db2.gz BJUGBNSPXWBCFU-MRXNPFEDSA-N 2 0 284.444 1.750 10 0 CDAERP CC[C@@H](Cn1cncn1)[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000353381973 365172856 /nfs/dbraw/zinc/17/28/56/365172856.db2.gz GWCDWSRVHIFGOH-CABCVRRESA-N 2 0 279.432 1.768 10 0 CDAERP C[C@H](CN1CCCC1=O)[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353393862 365180843 /nfs/dbraw/zinc/18/08/43/365180843.db2.gz KJOXSGVCYUFZJG-BARDWOONSA-N 2 0 279.428 1.460 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCC2CC(O)C2)[C@@H]2CCC[C@@H]21 ZINC000353606229 365329449 /nfs/dbraw/zinc/32/94/49/365329449.db2.gz MVHCWZDFBOZGGF-HGSUQPQSSA-N 2 0 252.402 1.610 10 0 CDAERP Cc1cc(C[NH2+]C2CCC(C[NH+](C)C)CC2)nn1C ZINC000414361033 241169740 /nfs/dbraw/zinc/16/97/40/241169740.db2.gz PBCIUVPNRXSGFC-UHFFFAOYSA-N 2 0 264.417 1.939 10 0 CDAERP CC[C@H]1C[C@@H](C[NH2+]CC2(COC)CC[NH2+]CC2)CCO1 ZINC000414976219 241494742 /nfs/dbraw/zinc/49/47/42/241494742.db2.gz PBKDBIKRVZWPDU-GJZGRUSLSA-N 2 0 284.444 1.797 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627037659 367282090 /nfs/dbraw/zinc/28/20/90/367282090.db2.gz AUGQXTQSGDZJSB-CWRNSKLLSA-N 2 0 296.459 1.356 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)C[NH2+]1 ZINC000627025782 367248741 /nfs/dbraw/zinc/24/87/41/367248741.db2.gz XLXXDXMLTQZZTI-DNDYEEKYSA-N 2 0 294.443 1.443 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627109384 367457984 /nfs/dbraw/zinc/45/79/84/367457984.db2.gz VVCJYTUBSMUGQK-KGLIPLIRSA-N 2 0 284.448 1.404 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000627158246 367584903 /nfs/dbraw/zinc/58/49/03/367584903.db2.gz OQEGYHAHRSPYKA-RWMBFGLXSA-N 2 0 282.432 1.299 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CC)CCC[NH+](C)C ZINC000627162149 367592420 /nfs/dbraw/zinc/59/24/20/367592420.db2.gz FIQRDJUIEBMRBC-QWHCGFSZSA-N 2 0 270.421 1.110 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NCCC[NH3+])C1 ZINC000417226319 242366743 /nfs/dbraw/zinc/36/67/43/242366743.db2.gz ZRSHLBXVMPSAAO-BETUJISGSA-N 2 0 284.448 1.391 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)C[NH2+]1 ZINC000627208667 367706591 /nfs/dbraw/zinc/70/65/91/367706591.db2.gz BLLKSOSMQMPNFE-BPLDGKMQSA-N 2 0 294.443 1.158 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)NCC[N@@H+]2CCCC(C)(C)C2)C[NH2+]1 ZINC000627201921 367696562 /nfs/dbraw/zinc/69/65/62/367696562.db2.gz DPPJHMQJQRMWLG-ZIAGYGMSSA-N 2 0 296.459 1.548 10 0 CDAERP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)C[C@@H]1C ZINC000627203418 367697373 /nfs/dbraw/zinc/69/73/73/367697373.db2.gz WLYZKWMAYCJIHQ-XDQVBPFNSA-N 2 0 282.432 1.251 10 0 CDAERP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)C[C@H]1C ZINC000627203419 367697599 /nfs/dbraw/zinc/69/75/99/367697599.db2.gz WLYZKWMAYCJIHQ-YIYPIFLZSA-N 2 0 282.432 1.251 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000627238003 367799866 /nfs/dbraw/zinc/79/98/66/367799866.db2.gz YHPCZGNLTCZDHM-DZGCQCFKSA-N 2 0 294.443 1.254 10 0 CDAERP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627243444 367838974 /nfs/dbraw/zinc/83/89/74/367838974.db2.gz IZAFDMXCUMONER-LSDHHAIUSA-N 2 0 296.459 1.644 10 0 CDAERP CCC[NH+]1CCC(NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000417743782 242633452 /nfs/dbraw/zinc/63/34/52/242633452.db2.gz CYXGDHWVKKLSAP-OCCSQVGLSA-N 2 0 282.432 1.158 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000418345528 242965355 /nfs/dbraw/zinc/96/53/55/242965355.db2.gz BPQMYBIPLQEVMH-XBFCOCLRSA-N 2 0 282.432 1.191 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@H](C[NH3+])C2CC2)cc1 ZINC000418403861 243036062 /nfs/dbraw/zinc/03/60/62/243036062.db2.gz PVDGTDZDWQMVLD-QMTHXVAHSA-N 2 0 276.384 1.243 10 0 CDAERP CCN(CCC[NH+](CC)CC)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000418585947 243242697 /nfs/dbraw/zinc/24/26/97/243242697.db2.gz DVMDCEKNZDVTFZ-HUUCEWRRSA-N 2 0 298.475 1.748 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418599910 243260387 /nfs/dbraw/zinc/26/03/87/243260387.db2.gz RUVBNIXUAXPVMC-AAVRWANBSA-N 2 0 282.432 1.049 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)C[C@H]1C ZINC000418619880 243284225 /nfs/dbraw/zinc/28/42/25/243284225.db2.gz PQUANKIXAUCEML-LJISPDSOSA-N 2 0 296.459 1.499 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000418693364 243347296 /nfs/dbraw/zinc/34/72/96/243347296.db2.gz GWPLGQSWKFBNBA-RYUDHWBXSA-N 2 0 270.421 1.273 10 0 CDAERP [NH3+]CCC[N@@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000420377948 244174392 /nfs/dbraw/zinc/17/43/92/244174392.db2.gz SZORCJKKVSPUPQ-ZDUSSCGKSA-N 2 0 258.369 1.850 10 0 CDAERP C[N@@H+]1CC[C@H](CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000368054870 369338175 /nfs/dbraw/zinc/33/81/75/369338175.db2.gz MZNGTWJGEDTJSI-DOMZBBRYSA-N 2 0 285.407 1.267 10 0 CDAERP COC(=O)COc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000414950678 370982829 /nfs/dbraw/zinc/98/28/29/370982829.db2.gz GGYFFUJHINIYEV-SWLSCSKDSA-N 2 0 292.379 1.326 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)CC[NH2+]C1CC1 ZINC000565212496 370391798 /nfs/dbraw/zinc/39/17/98/370391798.db2.gz BGXBPQFXUSYKEF-BETUJISGSA-N 2 0 267.417 1.508 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2C[NH+](C)C)C1 ZINC000565179157 370373244 /nfs/dbraw/zinc/37/32/44/370373244.db2.gz DVLUZPGWSCMKEC-KBPBESRZSA-N 2 0 267.417 1.271 10 0 CDAERP [NH3+]C1(CNC(=O)NCC2([NH3+])CCCCCC2)CCC1 ZINC000418287166 370564472 /nfs/dbraw/zinc/56/44/72/370564472.db2.gz SOYMKRBVCYCGTR-UHFFFAOYSA-N 2 0 268.405 1.219 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001661506210 1172400419 /nfs/dbraw/zinc/40/04/19/1172400419.db2.gz YNEOXSDTVFKRQY-MGPQQGTHSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)C1CCC([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CC1 ZINC000567605361 371061577 /nfs/dbraw/zinc/06/15/77/371061577.db2.gz PNBZTPFAWYAAMR-OFLPRAFFSA-N 2 0 297.487 1.399 10 0 CDAERP C[C@H](Cn1cccn1)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C ZINC000122820332 371100683 /nfs/dbraw/zinc/10/06/83/371100683.db2.gz SRQPVDVJTKHSHZ-FFHGMXDLSA-N 2 0 262.401 1.877 10 0 CDAERP Cc1ccc(CC[C@@H](C)[NH2+]C[C@@H](O)CN(C)C2CC2)o1 ZINC000567690501 371102375 /nfs/dbraw/zinc/10/23/75/371102375.db2.gz CQHFPNIPUCTXPJ-IUODEOHRSA-N 2 0 280.412 1.954 10 0 CDAERP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCc1cc(F)ccc1F ZINC000422824080 245302206 /nfs/dbraw/zinc/30/22/06/245302206.db2.gz MUGBAOWFQONXGQ-PSOPSSQASA-N 2 0 284.350 1.849 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cnccc1N ZINC000422870974 245356316 /nfs/dbraw/zinc/35/63/16/245356316.db2.gz YDYWOLAZNIJPJN-QWHCGFSZSA-N 2 0 280.416 1.502 10 0 CDAERP CCC[C@@H](C(=O)N1CC[C@H](C[N@H+](C)CCC)C1)[NH+](C)C ZINC000123225651 371336397 /nfs/dbraw/zinc/33/63/97/371336397.db2.gz DOPRPDYLPPXQFI-CABCVRRESA-N 2 0 283.460 1.907 10 0 CDAERP C[NH2+]Cc1ccccc1NC(=O)COC1CCC([NH3+])CC1 ZINC000573001379 371375656 /nfs/dbraw/zinc/37/56/56/371375656.db2.gz NPWMVVRDDLNCLA-UHFFFAOYSA-N 2 0 291.395 1.631 10 0 CDAERP Cc1ccsc1[C@H](CO)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000573020372 371380427 /nfs/dbraw/zinc/38/04/27/371380427.db2.gz IPJZNQCVCWGSDX-UTUOFQBUSA-N 2 0 254.399 1.949 10 0 CDAERP Cc1cc(C)n2c(C[NH2+]CC[C@@H]3CC[NH2+]C3)cnc2n1 ZINC000573186974 371454560 /nfs/dbraw/zinc/45/45/60/371454560.db2.gz HAIAYYGRROBQFX-ZDUSSCGKSA-N 2 0 273.384 1.435 10 0 CDAERP COc1cccc(N2CC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[NH3+])C2)c1 ZINC000422906781 245391532 /nfs/dbraw/zinc/39/15/32/245391532.db2.gz VRZZTAKOQUDTAS-XOKHGSTOSA-N 2 0 289.423 1.991 10 0 CDAERP CSCC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000172094884 372238042 /nfs/dbraw/zinc/23/80/42/372238042.db2.gz PFIBNVWICJVOCF-CQSZACIVSA-N 2 0 271.474 1.451 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCC2)C1 ZINC001661645223 1172422463 /nfs/dbraw/zinc/42/24/63/1172422463.db2.gz YIQGKEPDGRMICK-OKILXGFUSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)COC2CCC([NH3+])CC2)C1 ZINC000578319360 372390873 /nfs/dbraw/zinc/39/08/73/372390873.db2.gz IHTQDRUQHLJSPD-WLYUNCDWSA-N 2 0 297.443 1.119 10 0 CDAERP OC[C@@H](O)C[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000580951564 372758515 /nfs/dbraw/zinc/75/85/15/372758515.db2.gz CYHRYILGXFCUBO-HOTGVXAUSA-N 2 0 290.407 1.126 10 0 CDAERP CC(C)C[C@@H]([NH3+])CN1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000333205100 205116031 /nfs/dbraw/zinc/11/60/31/205116031.db2.gz YTZNEGKBQKOORO-KFWWJZLASA-N 2 0 281.444 1.060 10 0 CDAERP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353624224 372848973 /nfs/dbraw/zinc/84/89/73/372848973.db2.gz SZCZFUQJMNSJSB-ZQNQSHIBSA-N 2 0 279.428 1.364 10 0 CDAERP C([NH2+]C1CCCCC1)c1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000333364897 205258913 /nfs/dbraw/zinc/25/89/13/205258913.db2.gz DPALKJVHEODMBU-UHFFFAOYSA-N 2 0 263.389 1.694 10 0 CDAERP CC[C@@H]1C[N@H+](CCCc2cncn2C)C[C@]2(CCOC2)O1 ZINC000581318521 372942670 /nfs/dbraw/zinc/94/26/70/372942670.db2.gz WWOHIMMQCBGAEI-CVEARBPZSA-N 2 0 293.411 1.623 10 0 CDAERP CCCN(CC[NH+]1CCCC1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000581379540 372984956 /nfs/dbraw/zinc/98/49/56/372984956.db2.gz PXYKPDKJZDNRPS-OAHLLOKOSA-N 2 0 281.444 1.663 10 0 CDAERP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000227462142 373125345 /nfs/dbraw/zinc/12/53/45/373125345.db2.gz JEVMLSGOXGQWGU-RFQIPJPRSA-N 2 0 265.401 1.070 10 0 CDAERP C[C@@H](CC(=O)N[C@@H]1CCC[N@H+](C)C1)C1CC[NH2+]CC1 ZINC000645685223 373237476 /nfs/dbraw/zinc/23/74/76/373237476.db2.gz WGIVFNGWRVGTMO-GXTWGEPZSA-N 2 0 267.417 1.223 10 0 CDAERP C[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)C2CCCCC2)C1 ZINC000190554916 373375025 /nfs/dbraw/zinc/37/50/25/373375025.db2.gz RQFFFUYSJURMFZ-HIFRSBDPSA-N 2 0 254.418 1.811 10 0 CDAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CCS[C@@H](C)C2)CC1 ZINC000191480254 373498355 /nfs/dbraw/zinc/49/83/55/373498355.db2.gz HOPPHJKFOZYVER-HNNXBMFYSA-N 2 0 285.501 1.840 10 0 CDAERP CC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000043292318 373619540 /nfs/dbraw/zinc/61/95/40/373619540.db2.gz SCRVOMSZMFVGOC-AWEZNQCLSA-N 2 0 296.459 1.644 10 0 CDAERP CCN(CC(F)(F)F)C(=O)CN[C@@H]1CCCC[C@H]1[NH3+] ZINC000631829591 373721255 /nfs/dbraw/zinc/72/12/55/373721255.db2.gz VPCMPZLSSCIRRO-NXEZZACHSA-N 2 0 281.322 1.257 10 0 CDAERP CCn1nc(C)c(C[N@H+](C)CC[C@H]2CC[NH2+]C2)c1C ZINC000631834983 373740346 /nfs/dbraw/zinc/74/03/46/373740346.db2.gz JSTHKPXPVBKDIB-CQSZACIVSA-N 2 0 264.417 1.951 10 0 CDAERP CCN1C(N)=[NH+]C[C@@]12CC[N@H+](Cc1ccccc1)[C@@H]2C ZINC000307669543 374298959 /nfs/dbraw/zinc/29/89/59/374298959.db2.gz SOOHVWWHTPEYTM-CZUORRHYSA-N 2 0 272.396 1.670 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000418562158 374410470 /nfs/dbraw/zinc/41/04/70/374410470.db2.gz TYVCFMJADJOJKR-QPSCCSFWSA-N 2 0 294.443 1.110 10 0 CDAERP C[C@@H](C[NH3+])NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000418575083 374413630 /nfs/dbraw/zinc/41/36/30/374413630.db2.gz WFDVZMQWJFBRPU-GJZGRUSLSA-N 2 0 296.459 1.631 10 0 CDAERP C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631888272 374505698 /nfs/dbraw/zinc/50/56/98/374505698.db2.gz XTEJBYALJARWHR-QKPAOTATSA-N 2 0 293.455 1.850 10 0 CDAERP C[C@@H]1CCCCN1C(=O)CN1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631888015 374500015 /nfs/dbraw/zinc/50/00/15/374500015.db2.gz VUYAYGYFTULHAX-RBSFLKMASA-N 2 0 279.428 1.461 10 0 CDAERP CC(C)[NH+]1CCC([NH2+][C@@H]2CCc3nc[nH]c3C2)CC1 ZINC000334219560 374572209 /nfs/dbraw/zinc/57/22/09/374572209.db2.gz ZIYFYGWYIVLNTE-CYBMUJFWSA-N 2 0 262.401 1.729 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000417009602 375714325 /nfs/dbraw/zinc/71/43/25/375714325.db2.gz NSPHISWZBLWVTC-HZSPNIEDSA-N 2 0 282.432 1.110 10 0 CDAERP C[C@H](CNC(=O)N[C@H]1CC[NH2+]C[C@H]1C)C[NH+]1CCCC1 ZINC000417163953 375733833 /nfs/dbraw/zinc/73/38/33/375733833.db2.gz TUELQUIVZDPWDY-MCIONIFRSA-N 2 0 282.432 1.016 10 0 CDAERP CC1CC[NH+](CC(=O)NCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000136166986 375757609 /nfs/dbraw/zinc/75/76/09/375757609.db2.gz VGAGEHONGOSGQG-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H](CNC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000417312884 375763822 /nfs/dbraw/zinc/76/38/22/375763822.db2.gz OMHHUGNPOICCOX-RRFJBIMHSA-N 2 0 296.459 1.404 10 0 CDAERP C[C@@H]1C[C@H](N2CCC[C@H]([NH3+])C2=O)C[N@@H+]1Cc1ccccc1 ZINC000306565718 375769108 /nfs/dbraw/zinc/76/91/08/375769108.db2.gz FSQADVFZDYCFOP-KBMXLJTQSA-N 2 0 287.407 1.599 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)C[NH+]1CCC(C)CC1 ZINC000137470926 375798279 /nfs/dbraw/zinc/79/82/79/375798279.db2.gz MZQGVXCUHSMQKR-OAHLLOKOSA-N 2 0 283.460 1.811 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCCCC[NH+](CC)CC)CC[N@@H+]1C ZINC000631272843 376056127 /nfs/dbraw/zinc/05/61/27/376056127.db2.gz AYSKXDKINNIDTG-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP C[NH+](C/C=C/C[N@@H+](C)C[C@H]1CCCO1)C[C@@H]1CCCO1 ZINC000246142932 376411771 /nfs/dbraw/zinc/41/17/71/376411771.db2.gz RMHLXWDXDVSHLN-ZOSBBBERSA-N 2 0 282.428 1.764 10 0 CDAERP C[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000631842700 376700492 /nfs/dbraw/zinc/70/04/92/376700492.db2.gz DSBKSLSECBLPHX-NEPJUHHUSA-N 2 0 252.333 1.731 10 0 CDAERP c1cc2c(cc1C[N@@H+]1CCC[C@@H]3C[NH2+]CC[C@@H]31)C[NH2+]CC2 ZINC000631890741 376786838 /nfs/dbraw/zinc/78/68/38/376786838.db2.gz SOVLSKQDOLIBQI-AEFFLSMTSA-N 3 0 285.435 1.906 10 0 CDAERP CC[NH+](CC)CCCNC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000416822753 284601901 /nfs/dbraw/zinc/60/19/01/284601901.db2.gz WHLBILBUSSPWQD-NSHDSACASA-N 2 0 292.374 1.015 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000246465836 376855717 /nfs/dbraw/zinc/85/57/17/376855717.db2.gz QAFARQPPXYLEFZ-UONOGXRCSA-N 2 0 282.432 1.206 10 0 CDAERP CC[NH+](CC)[C@@H](C)CNC(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000247413517 377113830 /nfs/dbraw/zinc/11/38/30/377113830.db2.gz ZMJJVFJXXAANQP-LSDHHAIUSA-N 2 0 298.475 1.700 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC2CCC([NH+](C)C)CC2)C1 ZINC000572016269 377651230 /nfs/dbraw/zinc/65/12/30/377651230.db2.gz VAFNTULJVLWKTG-IYXRBSQSSA-N 2 0 267.417 1.317 10 0 CDAERP O=C(N[C@H]1CCC[NH2+]C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000334946004 377763112 /nfs/dbraw/zinc/76/31/12/377763112.db2.gz UOHYRBJICSUFCA-HNNXBMFYSA-N 2 0 294.443 1.256 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000193302759 378287909 /nfs/dbraw/zinc/28/79/09/378287909.db2.gz FKFVQRXYWCEPJP-CYBMUJFWSA-N 2 0 269.433 1.694 10 0 CDAERP Cc1cc(C[NH2+]CC2CC[NH+](C[C@H](C)O)CC2)no1 ZINC000069596165 378381197 /nfs/dbraw/zinc/38/11/97/378381197.db2.gz ZGJXYNSOKVGUSW-NSHDSACASA-N 2 0 267.373 1.165 10 0 CDAERP CC(C)[C@@H](O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662324252 412892074 /nfs/dbraw/zinc/89/20/74/412892074.db2.gz STHRLBPUCXGMDR-KGLIPLIRSA-N 2 0 258.406 1.046 10 0 CDAERP C[NH+](C)CCC[C@H]1C[N@H+](CC2CCC(=O)CC2)CCO1 ZINC000662324313 412893721 /nfs/dbraw/zinc/89/37/21/412893721.db2.gz UYQWBADDGSFTRG-INIZCTEOSA-N 2 0 282.428 1.788 10 0 CDAERP C(C[C@@H]1CCO1)C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000639138859 378810116 /nfs/dbraw/zinc/81/01/16/378810116.db2.gz HEMYSBJTTGNZNI-HZPDHXFCSA-N 2 0 282.428 1.600 10 0 CDAERP C[NH+](C)CCC[C@@H]1CN(CC[C@@H]2CCC[N@@H+]2C)CCO1 ZINC000662326402 412896235 /nfs/dbraw/zinc/89/62/35/412896235.db2.gz YWMIKIKTTFLMLO-JKSUJKDBSA-N 2 0 283.460 1.513 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H]1CCC[NH+](C)C1 ZINC000634133431 379068972 /nfs/dbraw/zinc/06/89/72/379068972.db2.gz FHPQKSAMPHDCMH-KGLIPLIRSA-N 2 0 284.448 1.500 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000657573505 412904306 /nfs/dbraw/zinc/90/43/06/412904306.db2.gz OSVWLBTYELCMDA-GBJTYRQASA-N 2 0 271.449 1.414 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000657572722 412904891 /nfs/dbraw/zinc/90/48/91/412904891.db2.gz CSKXGNGIJFAPAW-HRCADAONSA-N 2 0 296.503 1.473 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000657572593 412904739 /nfs/dbraw/zinc/90/47/39/412904739.db2.gz CDBNRTHBPVLNPS-CAOSSQGBSA-N 2 0 285.476 1.804 10 0 CDAERP CC(C)n1cc(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)cn1 ZINC000657573630 412906402 /nfs/dbraw/zinc/90/64/02/412906402.db2.gz NAWVSCUIKLFUCE-HNNXBMFYSA-N 2 0 295.475 1.826 10 0 CDAERP C[C@]1(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CC[NH2+]C1 ZINC000659367754 412957768 /nfs/dbraw/zinc/95/77/68/412957768.db2.gz NLSFNAMEMRAJIF-ZBFHGGJFSA-N 2 0 289.379 1.286 10 0 CDAERP C[NH2+]CCCNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662398146 412961146 /nfs/dbraw/zinc/96/11/46/412961146.db2.gz PICJLICVAFCQMX-CQSZACIVSA-N 2 0 275.396 1.405 10 0 CDAERP Cc1ccc2nc(CNC(=O)[C@@H]([NH3+])COC(C)C)cn2c1 ZINC000662399236 412963643 /nfs/dbraw/zinc/96/36/43/412963643.db2.gz QIORIXMQSLXVDQ-ZDUSSCGKSA-N 2 0 290.367 1.011 10 0 CDAERP CCC[C@H]([NH3+])C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000040810419 184548977 /nfs/dbraw/zinc/54/89/77/184548977.db2.gz LGVUWOSMFGTYLW-NSHDSACASA-N 2 0 255.406 1.539 10 0 CDAERP Cc1cnc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cn1 ZINC000453389335 252310605 /nfs/dbraw/zinc/31/06/05/252310605.db2.gz CEBXTECCNQGMAY-XHSDSOJGSA-N 2 0 274.412 1.790 10 0 CDAERP CCC1(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)COC1 ZINC000453381616 252308804 /nfs/dbraw/zinc/30/88/04/252308804.db2.gz RQIHLYIUHSNIAL-MJBXVCDLSA-N 2 0 252.402 1.875 10 0 CDAERP COCCN1CCC[C@@H]1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000422702599 285028365 /nfs/dbraw/zinc/02/83/65/285028365.db2.gz LEOPIAFCDWENRM-YMAMQOFZSA-N 2 0 269.433 1.204 10 0 CDAERP CN(C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000655970227 412983706 /nfs/dbraw/zinc/98/37/06/412983706.db2.gz FFZYMUXTLXBBHY-KNBMUFOWSA-N 2 0 294.443 1.251 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000367903434 285193444 /nfs/dbraw/zinc/19/34/44/285193444.db2.gz KSCXBGATSPTNCO-HRCADAONSA-N 2 0 293.455 1.851 10 0 CDAERP COC[C@@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000245562953 285246681 /nfs/dbraw/zinc/24/66/81/285246681.db2.gz MONGLGSQUFTSFX-PMPSAXMXSA-N 2 0 284.444 1.580 10 0 CDAERP COC[C@H](C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)OC ZINC000660257249 413020915 /nfs/dbraw/zinc/02/09/15/413020915.db2.gz QTJSBRCBDWEKQV-FMKPAKJESA-N 2 0 284.444 1.890 10 0 CDAERP [NH3+]C1CCC(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC1 ZINC000062973434 413042553 /nfs/dbraw/zinc/04/25/53/413042553.db2.gz QNPWDUFQPXWIOU-NRXISQOPSA-N 2 0 279.428 1.591 10 0 CDAERP COc1nccnc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657813903 413042473 /nfs/dbraw/zinc/04/24/73/413042473.db2.gz DSGLSGPTGOVESR-UHFFFAOYSA-N 2 0 290.411 1.697 10 0 CDAERP C[C@H]1CSC[C@@H]1[NH2+]CCCC[NH+]1CCOCC1 ZINC000449084180 390475550 /nfs/dbraw/zinc/47/55/50/390475550.db2.gz WQHDXYOPNPQTSX-STQMWFEESA-N 2 0 258.431 1.440 10 0 CDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCc2ccccn2)CC1 ZINC000105915475 390523166 /nfs/dbraw/zinc/52/31/66/390523166.db2.gz GXBRDASTPWBILA-HNNXBMFYSA-N 2 0 291.439 1.649 10 0 CDAERP COc1c(C)cc(CN2CCN(C)C[C@@H]2C[NH3+])cc1C ZINC000647539363 390688032 /nfs/dbraw/zinc/68/80/32/390688032.db2.gz WXZYQNIBDNCKLL-HNNXBMFYSA-N 2 0 277.412 1.387 10 0 CDAERP Cn1cnc(CCC[NH2+]C2CC[NH+](C(C)(C)C)CC2)n1 ZINC000647325681 390939283 /nfs/dbraw/zinc/93/92/83/390939283.db2.gz MSGIFPOOGJLBCB-UHFFFAOYSA-N 2 0 279.432 1.600 10 0 CDAERP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH2+]C23CCCC3)CC[N@@H+]1C ZINC000648211136 390953611 /nfs/dbraw/zinc/95/36/11/390953611.db2.gz JLNIGYKHBKRJQD-UPJWGTAASA-N 2 0 265.401 1.118 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C(=O)N2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000237955498 390893833 /nfs/dbraw/zinc/89/38/33/390893833.db2.gz NQFLUBQQHMXQQM-JKSUJKDBSA-N 2 0 293.455 1.838 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000237959702 390894628 /nfs/dbraw/zinc/89/46/28/390894628.db2.gz WRLDUMOULYMTRR-GOEBONIOSA-N 2 0 287.407 1.288 10 0 CDAERP C[C@H](NCCC[NH+](C)C)c1cc2n(n1)CCCC2 ZINC000647280546 390915400 /nfs/dbraw/zinc/91/54/00/390915400.db2.gz SKJGGRWETKTVML-LBPRGKRZSA-N 2 0 250.390 1.822 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)[NH+](C)C ZINC000368024331 391012738 /nfs/dbraw/zinc/01/27/38/391012738.db2.gz YWUFGOXJZNQYFL-HZSPNIEDSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)NC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000647474503 390965462 /nfs/dbraw/zinc/96/54/62/390965462.db2.gz ZDINVBYLCRIXNC-QWRGUYRKSA-N 2 0 288.355 1.515 10 0 CDAERP C([C@@H]1CCC[NH2+]C1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647479387 390966687 /nfs/dbraw/zinc/96/66/87/390966687.db2.gz FKPKYEQBIGAIFM-ILXRZTDVSA-N 2 0 251.418 1.450 10 0 CDAERP C[C@H]1C[NH2+]C[C@H](NCC[NH2+]C2CCCCCC2)C1 ZINC000647546552 390990304 /nfs/dbraw/zinc/99/03/04/390990304.db2.gz PDLGDRXIGZUNBY-UKRRQHHQSA-N 2 0 253.434 1.886 10 0 CDAERP [NH3+]CC1(CN2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CC1 ZINC000415131365 391046084 /nfs/dbraw/zinc/04/60/84/391046084.db2.gz ZDGVNDQRRDUZFX-UONOGXRCSA-N 2 0 263.360 1.291 10 0 CDAERP Cn1ccnc1-c1cccc(NC(=O)NCCC[NH3+])c1 ZINC000415145704 391049422 /nfs/dbraw/zinc/04/94/22/391049422.db2.gz XGSVIWKMMKJIPX-UHFFFAOYSA-N 2 0 273.340 1.557 10 0 CDAERP C[C@@H](CCCC[NH3+])NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000417944624 533533372 /nfs/dbraw/zinc/53/33/72/533533372.db2.gz WRRXJKVQGUSIDJ-NFOMZHRRSA-N 2 0 298.475 1.924 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C1CC[NH+](C)CC1 ZINC000345498328 391235421 /nfs/dbraw/zinc/23/54/21/391235421.db2.gz ALLUIUXUVONSFC-ZIAGYGMSSA-N 2 0 281.444 1.707 10 0 CDAERP C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000647902723 391200479 /nfs/dbraw/zinc/20/04/79/391200479.db2.gz BMZRUOLKRFEEHO-NXOAAHMSSA-N 2 0 293.455 1.314 10 0 CDAERP CCOC(C[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1)OCC ZINC000184969298 391385926 /nfs/dbraw/zinc/38/59/26/391385926.db2.gz PLJCACVIBRHHBM-OAHLLOKOSA-N 2 0 299.459 1.097 10 0 CDAERP CCC[C@](C)([NH3+])C(=O)NC[C@@H]([NH3+])c1ccccc1CC ZINC000417825407 391490818 /nfs/dbraw/zinc/49/08/18/391490818.db2.gz CIJNVFSCTWIVAO-ZBFHGGJFSA-N 2 0 277.412 1.883 10 0 CDAERP C[C@H]1CC[NH2+][C@@H](C(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000417821451 391487530 /nfs/dbraw/zinc/48/75/30/391487530.db2.gz ZAKPLALPWKDXLD-DZGCQCFKSA-N 2 0 290.411 1.066 10 0 CDAERP Nc1nc(N2CCC[C@@]3(CC[NH2+]C3)C2)c2c([nH+]1)CCCC2 ZINC000647708383 391454311 /nfs/dbraw/zinc/45/43/11/391454311.db2.gz JDYCCGMLVMCBRI-INIZCTEOSA-N 2 0 287.411 1.348 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@H]1Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000643469426 391479819 /nfs/dbraw/zinc/47/98/19/391479819.db2.gz UTBMTCYQBXATJQ-SMDDNHRTSA-N 2 0 257.341 1.807 10 0 CDAERP C[C@@H]1CCN(C(=O)[C@@H](C[NH3+])c2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000417836977 391502709 /nfs/dbraw/zinc/50/27/09/391502709.db2.gz MAQGFXJAHUXVPW-ZLDLUXBVSA-N 2 0 293.386 1.311 10 0 CDAERP CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000417844587 391507938 /nfs/dbraw/zinc/50/79/38/391507938.db2.gz OASVQVNADOKNHR-KGLIPLIRSA-N 2 0 298.475 1.779 10 0 CDAERP CC[NH2+][C@H](C)CNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000418591195 391521056 /nfs/dbraw/zinc/52/10/56/391521056.db2.gz CECWRAXENQANMD-MCIONIFRSA-N 2 0 284.448 1.356 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000418727149 391534261 /nfs/dbraw/zinc/53/42/61/391534261.db2.gz OZYBJMHRWBDGGC-SGMGOOAPSA-N 2 0 282.432 1.095 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H](N[C@@H]2C[NH+](C)C[C@H]2C)[C@@H](C)C1 ZINC000358375000 391550267 /nfs/dbraw/zinc/55/02/67/391550267.db2.gz GOEJTOSVGXMUDQ-LTIDMASMSA-N 2 0 297.487 1.663 10 0 CDAERP CS[C@@H]1CC[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000425365717 391493986 /nfs/dbraw/zinc/49/39/86/391493986.db2.gz YOXKTPDUXQTBDE-RWMBFGLXSA-N 2 0 258.431 1.317 10 0 CDAERP C[C@@H]1CCN(C(=O)[C@H]2[NH2+]CCCC2(C)C)C[C@H]1C[NH3+] ZINC000417832298 391500490 /nfs/dbraw/zinc/50/04/90/391500490.db2.gz IMWWRNROPLNZPW-JHJVBQTASA-N 2 0 267.417 1.208 10 0 CDAERP C[C@@H]1CN(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)CC[NH2+]1 ZINC000417537511 391646010 /nfs/dbraw/zinc/64/60/10/391646010.db2.gz SKOGKDRAZQUYDF-RDBSUJKOSA-N 2 0 282.432 1.253 10 0 CDAERP CN(C)c1nccc(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)n1 ZINC000360869588 391675322 /nfs/dbraw/zinc/67/53/22/391675322.db2.gz DPDZMVOJALLZAO-OLZOCXBDSA-N 2 0 275.400 1.463 10 0 CDAERP Oc1cccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)c1 ZINC000415058163 391739259 /nfs/dbraw/zinc/73/92/59/391739259.db2.gz SVGLAYGZWSHCSX-UHFFFAOYSA-N 2 0 289.423 1.698 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000417706901 391766882 /nfs/dbraw/zinc/76/68/82/391766882.db2.gz UOMKVAHDDHHNHB-RRFJBIMHSA-N 2 0 296.459 1.548 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000418193927 391801388 /nfs/dbraw/zinc/80/13/88/391801388.db2.gz CTBHMRGCBWMIEF-QWRGUYRKSA-N 2 0 292.374 1.012 10 0 CDAERP CC[C@H](C[NH+]1CCCC1)NC(=O)c1ccc(C[NH3+])cc1 ZINC000646010723 391899167 /nfs/dbraw/zinc/89/91/67/391899167.db2.gz DTZAGBKVWYNQTL-OAHLLOKOSA-N 2 0 275.396 1.750 10 0 CDAERP CC[C@@H](Cn1cncn1)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000438826821 391966448 /nfs/dbraw/zinc/96/64/48/391966448.db2.gz PKDCTNMGYCWNFG-STQMWFEESA-N 2 0 263.389 1.131 10 0 CDAERP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000649322772 392020974 /nfs/dbraw/zinc/02/09/74/392020974.db2.gz KZQCFDAPSRLABK-JJXSEGSLSA-N 2 0 291.439 1.508 10 0 CDAERP C[NH+](CCC[N@@H+](C)[C@H]1CC[C@H](O)CC1)[C@H]1CC[C@H](O)CC1 ZINC000439281101 392043260 /nfs/dbraw/zinc/04/32/60/392043260.db2.gz XNTBAZITOULVBG-GARHLSDISA-N 2 0 298.471 1.847 10 0 CDAERP CC(C)([NH3+])CCC(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000649335981 392058776 /nfs/dbraw/zinc/05/87/76/392058776.db2.gz QUFSRFBFBPOXPR-UHFFFAOYSA-N 2 0 264.373 1.633 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)CC2([NH3+])CCC2)CC1 ZINC000646262466 392219659 /nfs/dbraw/zinc/21/96/59/392219659.db2.gz YFTDZGNZVWCHLH-UHFFFAOYSA-N 2 0 267.417 1.495 10 0 CDAERP COC[C@](C)(O)CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423145188 285474689 /nfs/dbraw/zinc/47/46/89/285474689.db2.gz JMZUGNVKBKBOAH-APIJFGDWSA-N 2 0 270.417 1.284 10 0 CDAERP CNC(=O)C[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])c1ccccc1 ZINC000423099409 392343144 /nfs/dbraw/zinc/34/31/44/392343144.db2.gz UCZAFNHGHZAITO-SCRDCRAPSA-N 2 0 263.385 1.579 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCCc1cccc(C)n1 ZINC000423104326 392348253 /nfs/dbraw/zinc/34/82/53/392348253.db2.gz LVTNWOXWMUNGLL-OAHLLOKOSA-N 2 0 265.401 1.666 10 0 CDAERP COC[C@](C)(O)CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423144462 392383314 /nfs/dbraw/zinc/38/33/14/392383314.db2.gz GZDHHFKGRMYLFR-CAOSSQGBSA-N 2 0 284.444 1.674 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](O)Cc1cccc(F)c1 ZINC000423142544 392381906 /nfs/dbraw/zinc/38/19/06/392381906.db2.gz AMBYIPGULPTNFF-HUUCEWRRSA-N 2 0 284.375 1.073 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC000568211012 392412814 /nfs/dbraw/zinc/41/28/14/392412814.db2.gz PAVGKZWFWAHMJF-OLZOCXBDSA-N 2 0 255.406 1.173 10 0 CDAERP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCCNCc1cccnc1 ZINC000423193356 392432020 /nfs/dbraw/zinc/43/20/20/392432020.db2.gz XFXGRYXVLPBRJW-GDBMZVCRSA-N 2 0 276.428 1.539 10 0 CDAERP O=C(C[C@@H]1CC[NH2+]C1)NC1CC([NH+]2CCCCC2)C1 ZINC000646469478 392468589 /nfs/dbraw/zinc/46/85/89/392468589.db2.gz BEOHBQVVAKRCEL-HSBZDZAISA-N 2 0 265.401 1.119 10 0 CDAERP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000646394496 392409111 /nfs/dbraw/zinc/40/91/11/392409111.db2.gz WMOCHKWHPFACBU-CHWSQXEVSA-N 2 0 269.433 1.741 10 0 CDAERP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423514923 392582077 /nfs/dbraw/zinc/58/20/77/392582077.db2.gz UOLJYUJHBQDJGI-VXLLPVPCSA-N 3 0 294.487 1.181 10 0 CDAERP C[C@@H](Cc1ccoc1)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000449094232 392639240 /nfs/dbraw/zinc/63/92/40/392639240.db2.gz REUSMHDNQMSDQP-GXTWGEPZSA-N 2 0 252.358 1.257 10 0 CDAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)Cc1ccoc1 ZINC000449251999 392731626 /nfs/dbraw/zinc/73/16/26/392731626.db2.gz TZQJXCGVDXLVDK-CABCVRRESA-N 2 0 279.428 1.826 10 0 CDAERP C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000517239198 392863773 /nfs/dbraw/zinc/86/37/73/392863773.db2.gz MOVRMGVDTCNAEF-KBXIAJHMSA-N 2 0 279.428 1.365 10 0 CDAERP C[NH+](C)CC1(C(=O)NC[C@@H]2CC[N@H+](C)C2)CCCCC1 ZINC000494830893 393110089 /nfs/dbraw/zinc/11/00/89/393110089.db2.gz GAYGDBHQGTYXOV-AWEZNQCLSA-N 2 0 281.444 1.566 10 0 CDAERP C[NH+](C)Cc1cc(CNC(=O)[C@H]2[NH2+]CC2(C)C)ccc1F ZINC000646001895 393464996 /nfs/dbraw/zinc/46/49/96/393464996.db2.gz WQBXJXIBUFCWSA-CQSZACIVSA-N 2 0 293.386 1.502 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000662491440 413062828 /nfs/dbraw/zinc/06/28/28/413062828.db2.gz UFUXCRBLWKDOKH-HNNXBMFYSA-N 2 0 297.443 1.262 10 0 CDAERP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)C(C)(C)C(F)F ZINC000657888180 413071963 /nfs/dbraw/zinc/07/19/63/413071963.db2.gz PAGPYFPSFPLYTK-JTQLQIEISA-N 2 0 264.360 1.713 10 0 CDAERP CC1(CNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC[NH2+]CC1 ZINC000183309548 140027037 /nfs/dbraw/zinc/02/70/37/140027037.db2.gz LWSOEXIUBXKVIY-UONOGXRCSA-N 2 0 281.444 1.790 10 0 CDAERP COC(=O)[C@@H]1CC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000227828879 140187315 /nfs/dbraw/zinc/18/73/15/140187315.db2.gz FPPPQHKKOKJNJP-OLZOCXBDSA-N 2 0 254.374 1.356 10 0 CDAERP CC[NH+](CC)CC(=O)NCC1([NH3+])CCCCCC1 ZINC000236841891 140246295 /nfs/dbraw/zinc/24/62/95/140246295.db2.gz WQPBKBNJKGBOBQ-UHFFFAOYSA-N 2 0 255.406 1.496 10 0 CDAERP CCOC(=O)C1CCC([NH2+][C@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000261574852 140353286 /nfs/dbraw/zinc/35/32/86/140353286.db2.gz BGHRLXHXTVNAAU-ABXWRUBCSA-N 2 0 268.401 1.696 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]([NH3+])C1CCOCC1)C1CCCCC1 ZINC000261793001 140390577 /nfs/dbraw/zinc/39/05/77/140390577.db2.gz NRYJGXGEKIEEPO-HNNXBMFYSA-N 2 0 297.443 1.121 10 0 CDAERP C[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C[N@@H+]1C1CC1 ZINC000261825235 140395766 /nfs/dbraw/zinc/39/57/66/140395766.db2.gz OIPKKGDIPVLHAS-FMCLSXCISA-N 2 0 265.401 1.103 10 0 CDAERP C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261912521 140407766 /nfs/dbraw/zinc/40/77/66/140407766.db2.gz XTWNRLCJVNPNPV-FQLMCAECSA-N 2 0 279.428 1.352 10 0 CDAERP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@@H]2COC3(CCC3)C2)CC1 ZINC000657924828 413092488 /nfs/dbraw/zinc/09/24/88/413092488.db2.gz HZBGCKXZOVHKIC-ARFHVFGLSA-N 2 0 294.439 1.665 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000656200465 413097383 /nfs/dbraw/zinc/09/73/83/413097383.db2.gz NAQQUWHLAOQGCR-XFIYOXNOSA-N 3 0 265.445 1.837 10 0 CDAERP CO[C@H](C[N@@H+]1CCC[C@H]([NH+](C)C)CC1)[C@H]1CCOC1 ZINC000660415151 413110044 /nfs/dbraw/zinc/11/00/44/413110044.db2.gz AJORFUDGKXCQLH-SOUVJXGZSA-N 2 0 270.417 1.454 10 0 CDAERP COc1ccccc1[C@@H]1CNCCN1C(=O)C[NH2+]C(C)C ZINC000662559825 413127941 /nfs/dbraw/zinc/12/79/41/413127941.db2.gz CQWOAVWIXHOCJZ-AWEZNQCLSA-N 2 0 291.395 1.166 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000662579164 413146609 /nfs/dbraw/zinc/14/66/09/413146609.db2.gz MJJFUFAWXGLPCG-ZDUSSCGKSA-N 2 0 267.417 1.352 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000662589744 413158230 /nfs/dbraw/zinc/15/82/30/413158230.db2.gz DAEYJGHTYMGQTQ-OLZOCXBDSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@H]([NH3+])CCC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662595216 413167304 /nfs/dbraw/zinc/16/73/04/413167304.db2.gz YNUACDPCODWAAU-RYUDHWBXSA-N 2 0 255.406 1.350 10 0 CDAERP CCN(CC)[C@H](C)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647797000 397607141 /nfs/dbraw/zinc/60/71/41/397607141.db2.gz UJLCNNKYAGGHIK-CBBWQLFWSA-N 2 0 253.434 1.694 10 0 CDAERP CC(C)C[C@@H]([NH3+])c1noc([C@@H](N)CC[NH+](C)C)n1 ZINC000650226423 397796643 /nfs/dbraw/zinc/79/66/43/397796643.db2.gz IJEMQTQJFBKFMW-VHSXEESVSA-N 2 0 255.366 1.067 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N(C)CCC[NH+](C)C ZINC000651194379 397870592 /nfs/dbraw/zinc/87/05/92/397870592.db2.gz FCZSYSKOLJMPNV-UHFFFAOYSA-N 2 0 286.464 1.557 10 0 CDAERP CC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@@H]1CCCOC1 ZINC000649760389 397942132 /nfs/dbraw/zinc/94/21/32/397942132.db2.gz OUCVCYBRQMGZLH-OAHLLOKOSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C[NH2+]CC1CC1 ZINC000094447173 147088394 /nfs/dbraw/zinc/08/83/94/147088394.db2.gz GTLRUYBQGBEQAR-GXTWGEPZSA-N 2 0 265.401 1.071 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000097093128 147120760 /nfs/dbraw/zinc/12/07/60/147120760.db2.gz PKBKVXOCLSVGSJ-NWDGAFQWSA-N 2 0 253.390 1.057 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000121980206 147389948 /nfs/dbraw/zinc/38/99/48/147389948.db2.gz IUKJALSUXKCXQE-LSDHHAIUSA-N 2 0 298.475 1.890 10 0 CDAERP CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000658112624 413211073 /nfs/dbraw/zinc/21/10/73/413211073.db2.gz CCZQAKMFTWNOJQ-LLLHUVSDSA-N 2 0 298.471 1.872 10 0 CDAERP C[C@@H]1C[C@H](C[NH2+]CCN(C)C(=O)CCC[NH+](C)C)CCO1 ZINC001664146790 1172817201 /nfs/dbraw/zinc/81/72/01/1172817201.db2.gz QZDGZBBISGUJIB-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658135619 413225908 /nfs/dbraw/zinc/22/59/08/413225908.db2.gz ABBSYBTYPPIEBE-VBQJREDUSA-N 2 0 292.423 1.766 10 0 CDAERP CCC[C@](C)([NH3+])C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000262172501 149028240 /nfs/dbraw/zinc/02/82/40/149028240.db2.gz XMFQTOVNYNAZNK-OCCSQVGLSA-N 2 0 255.406 1.495 10 0 CDAERP C[N@H+](Cc1ccccc1)[C@H](CNC1=[NH+]CCCN1)C1CC1 ZINC000262455444 149065385 /nfs/dbraw/zinc/06/53/85/149065385.db2.gz FGICUOIHLQFHFP-MRXNPFEDSA-N 2 0 286.423 1.836 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCC[C@@H]1c1cnn(C)c1 ZINC000310793448 149201764 /nfs/dbraw/zinc/20/17/64/149201764.db2.gz FBWHMKZJQIZFBL-UONOGXRCSA-N 2 0 250.390 1.930 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H](NC(=O)N2CCC(c3c[nH]cn3)CC2)C1 ZINC000334925519 150090775 /nfs/dbraw/zinc/09/07/75/150090775.db2.gz USPAGNNNEDSJCZ-CHWSQXEVSA-N 2 0 291.399 1.569 10 0 CDAERP O=C1[C@H]([NH+]2CCC3(CC[NH2+]C3)CC2)CCN1c1ccccc1 ZINC000336127655 151293144 /nfs/dbraw/zinc/29/31/44/151293144.db2.gz ICILIZNYZUTVJX-MRXNPFEDSA-N 2 0 299.418 1.867 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1=CC[NH+](C)CC1 ZINC000343251642 152085527 /nfs/dbraw/zinc/08/55/27/152085527.db2.gz IHRHWHNPJFNYEZ-CQSZACIVSA-N 2 0 265.401 1.239 10 0 CDAERP CC[N@H+](CCCO)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346183162 153088484 /nfs/dbraw/zinc/08/84/84/153088484.db2.gz QQSGCZFUBJMWSK-UHFFFAOYSA-N 2 0 274.368 1.780 10 0 CDAERP C[C@@H](CC[NH+](C)C)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000349589718 154148335 /nfs/dbraw/zinc/14/83/35/154148335.db2.gz OYOZUOWQNCEIAW-GXTWGEPZSA-N 2 0 282.432 1.205 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+]Cc1cnn2ccccc12 ZINC000350326156 154365421 /nfs/dbraw/zinc/36/54/21/154365421.db2.gz ZQYJAPSEWSWAEK-UHFFFAOYSA-N 2 0 290.411 1.782 10 0 CDAERP C[C@@H](CNC(=O)CC1([NH3+])CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000662679468 413299960 /nfs/dbraw/zinc/29/99/60/413299960.db2.gz OOKNRZJDPGLGQF-RYUDHWBXSA-N 2 0 253.390 1.104 10 0 CDAERP C[C@H]([NH3+])CCC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000662685979 413311962 /nfs/dbraw/zinc/31/19/62/413311962.db2.gz JOYLPCJDJJGWED-FZMZJTMJSA-N 2 0 277.368 1.413 10 0 CDAERP COC(=O)[C@H](C1CC1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000359601179 158305029 /nfs/dbraw/zinc/30/50/29/158305029.db2.gz SBUJBLHGOKQGEI-HNNXBMFYSA-N 2 0 282.428 1.992 10 0 CDAERP CC[C@@H](C(=O)N1CCC[C@@H]1C[NH+](C)C)[NH+](CC)CC ZINC000359791542 158378382 /nfs/dbraw/zinc/37/83/82/158378382.db2.gz HHKSIWPIYNQHNQ-KGLIPLIRSA-N 2 0 269.433 1.659 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000252392783 289570431 /nfs/dbraw/zinc/57/04/31/289570431.db2.gz WXKOUTHLMGTZHZ-QXSJWSMHSA-N 2 0 293.455 1.898 10 0 CDAERP C[C@H]1CC[N@H+](CCNC(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662747223 413421807 /nfs/dbraw/zinc/42/18/07/413421807.db2.gz VOMHTTHGARCTHR-LBPRGKRZSA-N 2 0 265.401 1.119 10 0 CDAERP CC[C@@H]1CN(CC[C@@H]2CCC[N@@H+]2C)CC[NH+]1C[C@@H](C)O ZINC000161670185 287196500 /nfs/dbraw/zinc/19/65/00/287196500.db2.gz XFZQOBYGXFDBGD-OAGGEKHMSA-N 2 0 283.460 1.248 10 0 CDAERP COc1cccc([C@@H](C[NH3+])N2CC[NH+](CC(C)C)CC2)c1 ZINC000020179578 171044387 /nfs/dbraw/zinc/04/43/87/171044387.db2.gz VXBUJYRCRQZFTQ-QGZVFWFLSA-N 2 0 291.439 1.969 10 0 CDAERP CN([C@H](C[NH3+])c1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000022211492 171373373 /nfs/dbraw/zinc/37/33/73/171373373.db2.gz DNELTYGHUXXOON-OAHLLOKOSA-N 2 0 265.376 1.852 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)c1ccnc(C[NH3+])c1 ZINC000653214443 412142004 /nfs/dbraw/zinc/14/20/04/412142004.db2.gz VNYSHQOAQLLGCK-UHFFFAOYSA-N 2 0 284.363 1.190 10 0 CDAERP C[C@@H](C(=O)NCCC1(C[NH3+])CC1)[NH+]1CCCCCC1 ZINC000653221301 412148006 /nfs/dbraw/zinc/14/80/06/412148006.db2.gz QREVEZTZPDZBQP-ZDUSSCGKSA-N 2 0 267.417 1.496 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000660834993 413536538 /nfs/dbraw/zinc/53/65/38/413536538.db2.gz CPJQMFXINMVWHE-KGLIPLIRSA-N 2 0 298.475 1.889 10 0 CDAERP C[N@@H+]1CCC[C@H]2C[NH+](CC3(O)CCSCC3)CC[C@H]21 ZINC000656697309 413577286 /nfs/dbraw/zinc/57/72/86/413577286.db2.gz ARCBCXFRWAZVBZ-UONOGXRCSA-N 2 0 284.469 1.661 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000660851339 413577885 /nfs/dbraw/zinc/57/78/85/413577885.db2.gz YVJDWGPYAAHHRT-CQSZACIVSA-N 2 0 298.475 1.890 10 0 CDAERP c1cc([C@@H]2C[NH2+]CCO2)ccc1N[C@H]1CCC[NH2+]C1 ZINC000656791718 413674772 /nfs/dbraw/zinc/67/47/72/413674772.db2.gz GRFSIOLIJRMWFO-GJZGRUSLSA-N 2 0 261.369 1.511 10 0 CDAERP CN1c2ccccc2C[C@@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1=O ZINC000656786869 413664950 /nfs/dbraw/zinc/66/49/50/413664950.db2.gz CJHRCPPHYFAMJZ-BFHYXJOUSA-N 2 0 273.380 1.434 10 0 CDAERP COC[C@@H](C)C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656786134 413665443 /nfs/dbraw/zinc/66/54/43/413665443.db2.gz LDIUYXIRXJIEJK-DZGCQCFKSA-N 2 0 254.418 1.981 10 0 CDAERP C[C@@H]1CCN(C(=O)c2cc(C(C)(C)[NH3+])no2)[C@H](C[NH3+])C1 ZINC000662896351 413673954 /nfs/dbraw/zinc/67/39/54/413673954.db2.gz MFSQJLJUQIUDKR-ZJUUUORDSA-N 2 0 280.372 1.068 10 0 CDAERP C[C@@H](NC(=O)[C@@](C)([NH3+])c1ccccc1)c1nccn1C ZINC000662932802 413718397 /nfs/dbraw/zinc/71/83/97/413718397.db2.gz GHPDIWPJNHXJLG-ABAIWWIYSA-N 2 0 272.352 1.471 10 0 CDAERP C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659364959 413750474 /nfs/dbraw/zinc/75/04/74/413750474.db2.gz CCXYWORYURKWCE-TUKIKUTGSA-N 2 0 289.379 1.284 10 0 CDAERP O=C(C[NH2+]C1CC1)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659367771 413751896 /nfs/dbraw/zinc/75/18/96/413751896.db2.gz NQGCJHZWPLSIDP-AWEZNQCLSA-N 2 0 275.352 1.038 10 0 CDAERP C[NH2+]C[C@H](C)NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000659456127 413844321 /nfs/dbraw/zinc/84/43/21/413844321.db2.gz HZTYXWKXJMBGAS-NSHDSACASA-N 2 0 296.390 1.294 10 0 CDAERP COC1CC(CC[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])C1 ZINC000665229788 413953612 /nfs/dbraw/zinc/95/36/12/413953612.db2.gz CMXKOYQPPPWZKV-YOMYCBHVSA-N 2 0 256.390 1.143 10 0 CDAERP Cn1ncc(C2CCC2)c1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000665274712 414007708 /nfs/dbraw/zinc/00/77/08/414007708.db2.gz WWZMPYMOUMPDBA-TZMCWYRMSA-N 2 0 262.401 1.905 10 0 CDAERP COC[C@H](CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)OC ZINC000665234804 413965158 /nfs/dbraw/zinc/96/51/58/413965158.db2.gz KIWITIWFTLXUQM-BYNSBNAKSA-N 2 0 270.417 1.548 10 0 CDAERP Cc1ccncc1CC[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000665239659 413967386 /nfs/dbraw/zinc/96/73/86/413967386.db2.gz WTBCKEXIEJIEKX-BPLDGKMQSA-N 2 0 263.385 1.274 10 0 CDAERP C[C@@H]1CCN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)[C@H](C[NH3+])C1 ZINC000659560841 413970545 /nfs/dbraw/zinc/97/05/45/413970545.db2.gz BKAWIILORJJJRY-MQYQWHSLSA-N 2 0 282.432 1.095 10 0 CDAERP CC[C@@H](C)C(=O)N1CC[NH+](CCCCC[NH3+])CC1 ZINC000037038839 172906634 /nfs/dbraw/zinc/90/66/34/172906634.db2.gz IXFQIJZLJRCFTP-CYBMUJFWSA-N 2 0 255.406 1.306 10 0 CDAERP CC(C)[C@H]([NH3+])CCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000665282468 414019377 /nfs/dbraw/zinc/01/93/77/414019377.db2.gz YZYMBFOLNBRGAH-GBJTYRQASA-N 2 0 253.434 1.822 10 0 CDAERP C[C@H]1C[N@H+](C)C[C@H]1N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665257904 413981403 /nfs/dbraw/zinc/98/14/03/413981403.db2.gz XXIPXAIMHXCLOW-WBQNTZJQSA-N 2 0 291.414 1.811 10 0 CDAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NCC12CC(C1)C[NH2+]2 ZINC000665279697 414020131 /nfs/dbraw/zinc/02/01/31/414020131.db2.gz JXWDQFBCTCGDLC-VXCIWXLGSA-N 2 0 299.418 1.584 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000659623872 414035119 /nfs/dbraw/zinc/03/51/19/414035119.db2.gz MCVJDPKKHRWVGV-HUUCEWRRSA-N 2 0 296.459 1.487 10 0 CDAERP COc1ccc(CC[C@](C)(C[NH3+])N2CC[NH+](C)CC2)cc1 ZINC000037497411 173236484 /nfs/dbraw/zinc/23/64/84/173236484.db2.gz UWPJUXMVVWFESN-QGZVFWFLSA-N 2 0 291.439 1.593 10 0 CDAERP C[NH+]1CCC[C@]2(CCN(C(=O)N[C@H]3CCC[N@@H+](C)C3)C2)C1 ZINC000655132774 414080506 /nfs/dbraw/zinc/08/05/06/414080506.db2.gz ZCYVVJRULJWCPE-HOCLYGCPSA-N 2 0 294.443 1.208 10 0 CDAERP CC[C@H]1C[N@H+](CC)CCN1C(=O)N[C@H]1CCC[NH+](C)C1 ZINC000655132156 414080721 /nfs/dbraw/zinc/08/07/21/414080721.db2.gz ATCBSFPIKBVUDU-KBPBESRZSA-N 2 0 282.432 1.206 10 0 CDAERP CCc1nn(C)c(CC)c1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655826951 414238105 /nfs/dbraw/zinc/23/81/05/414238105.db2.gz JNMHKBCHRGLFFT-BETUJISGSA-N 2 0 278.444 1.975 10 0 CDAERP COC[C@@H](C[NH+]1CCC(C[N@H+](C)C(C)C)CC1)OC ZINC000659878377 414213775 /nfs/dbraw/zinc/21/37/75/414213775.db2.gz ZCWSQPBJRYKJML-OAHLLOKOSA-N 2 0 272.433 1.700 10 0 CDAERP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CC2(O)CCSCC2)C1 ZINC000659978338 414315909 /nfs/dbraw/zinc/31/59/09/414315909.db2.gz LSRMMDNHGXKUGT-OAHLLOKOSA-N 2 0 298.496 1.908 10 0 CDAERP C(c1nc2c(s1)C[NH2+]CC2)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000663493742 414290013 /nfs/dbraw/zinc/29/00/13/414290013.db2.gz JHICDHYTTQWUJU-TXEJJXNPSA-N 3 0 292.452 1.220 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+]Cc1nc2c(s1)C[NH2+]CC2 ZINC000663496033 414294833 /nfs/dbraw/zinc/29/48/33/414294833.db2.gz CJHFKPFFXGEVCL-SNVBAGLBSA-N 3 0 268.430 1.396 10 0 CDAERP O[C@H]1CC[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000657416157 414302202 /nfs/dbraw/zinc/30/22/02/414302202.db2.gz QHEXHXQAKHVQSD-NNUKFRKNSA-N 2 0 272.352 1.660 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+]CC(C)C)CC1 ZINC000663503444 414305434 /nfs/dbraw/zinc/30/54/34/414305434.db2.gz ICXXYZMUJDJWJE-UHFFFAOYSA-N 2 0 255.406 1.223 10 0 CDAERP O[C@@H]1CC[C@@H](C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657445823 414341744 /nfs/dbraw/zinc/34/17/44/414341744.db2.gz LEPUKXZXADJGMD-IUODEOHRSA-N 2 0 272.352 1.518 10 0 CDAERP C[C@@H](CCCO)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657478663 414375011 /nfs/dbraw/zinc/37/50/11/414375011.db2.gz LNONKCLODDIBFG-ZDUSSCGKSA-N 2 0 274.368 1.766 10 0 CDAERP CCN(C(=O)NCC[NH+]1CCC[C@@H](C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000663628692 414381627 /nfs/dbraw/zinc/38/16/27/414381627.db2.gz HSAZCDGKPCPMKD-HUUCEWRRSA-N 2 0 296.459 1.454 10 0 CDAERP C[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C(C1CC1)C1CC1 ZINC000662255659 414589495 /nfs/dbraw/zinc/58/94/95/414589495.db2.gz ZVSGIWFDJRAJLA-ZDUSSCGKSA-N 2 0 250.386 1.628 10 0 CDAERP C[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C(C1CC1)C1CC1 ZINC000662255658 414590727 /nfs/dbraw/zinc/59/07/27/414590727.db2.gz ZVSGIWFDJRAJLA-CYBMUJFWSA-N 2 0 250.386 1.628 10 0 CDAERP C[N@H+](CCO[C@H]1CC1(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662264752 414599847 /nfs/dbraw/zinc/59/98/47/414599847.db2.gz KQIACCZBFCLLKP-MBYGNEARSA-N 2 0 260.328 1.625 10 0 CDAERP COCC[NH2+]C1CC[NH+](C[C@H](OC)C2CCC2)CC1 ZINC000662287318 414616858 /nfs/dbraw/zinc/61/68/58/414616858.db2.gz YXFBBVWIHOVXOA-HNNXBMFYSA-N 2 0 270.417 1.502 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC[C@@H](O)C[NH+](C)C1CC1 ZINC000662179929 414556088 /nfs/dbraw/zinc/55/60/88/414556088.db2.gz MUMSYOGRHHZOON-CQSZACIVSA-N 2 0 271.449 1.152 10 0 CDAERP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@](C)(c2cccc(OC)c2)C1 ZINC000662310630 414631161 /nfs/dbraw/zinc/63/11/61/414631161.db2.gz LWHBABXBNDVHKQ-SJORKVTESA-N 2 0 292.423 1.629 10 0 CDAERP CC(C)N1CCC([N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)CC1 ZINC000040749278 174393566 /nfs/dbraw/zinc/39/35/66/174393566.db2.gz UZPYHUZFDVIKJX-LQDVMPOASA-N 2 0 251.418 1.813 10 0 CDAERP CCCNC(=O)C[NH2+]C1[C@@H]2CCC[C@H]1C[N@H+](C(C)C)C2 ZINC000040769185 174399098 /nfs/dbraw/zinc/39/90/98/174399098.db2.gz ZXUWUCXYGLPWEI-MZBDJJRSSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@H]([NH3+])[C@H](c1ccco1)N1CCC(C[NH+](C)C)CC1 ZINC000043335941 175011762 /nfs/dbraw/zinc/01/17/62/175011762.db2.gz AFIQEWWMAPUYNV-SWLSCSKDSA-N 2 0 265.401 1.942 10 0 CDAERP C[C@@H]([NH3+])[C@H](c1ccccn1)N1CCC([NH+](C)C)CC1 ZINC000043339424 175013972 /nfs/dbraw/zinc/01/39/72/175013972.db2.gz URMGBYWNIWNAHK-IUODEOHRSA-N 2 0 262.401 1.496 10 0 CDAERP CC[C@@H]([NH3+])[C@H](c1ccncc1)N1CC[NH+](C(C)C)CC1 ZINC000043353684 175020671 /nfs/dbraw/zinc/02/06/71/175020671.db2.gz NLILWYBKGMIPKB-CVEARBPZSA-N 2 0 276.428 1.886 10 0 CDAERP C(C[C@@H]1CCC[NH2+]C1)C[NH+]1CCN(C2CC2)CC1 ZINC000043601582 175077591 /nfs/dbraw/zinc/07/75/91/175077591.db2.gz YAPOTRAXABPPEJ-AWEZNQCLSA-N 2 0 251.418 1.546 10 0 CDAERP CC[NH+]1CCN(C[C@H]([NH2+]C)c2ccc(OC)cc2)CC1 ZINC000043805781 175107491 /nfs/dbraw/zinc/10/74/91/175107491.db2.gz ATVJZEVMSZZWMC-INIZCTEOSA-N 2 0 277.412 1.593 10 0 CDAERP CC[C@H]([C@@H]([NH2+]C)c1ccccc1)N1CC[NH+](C)CC1 ZINC000043810600 175109555 /nfs/dbraw/zinc/10/95/55/175109555.db2.gz TUVBSZLAEPVEDZ-CVEARBPZSA-N 2 0 261.413 1.973 10 0 CDAERP CCOc1ccc([C@@H](CN2CC[NH+](C)CC2)[NH2+]C)cc1 ZINC000043810495 175109598 /nfs/dbraw/zinc/10/95/98/175109598.db2.gz ISWJQFNFPHVVHM-MRXNPFEDSA-N 2 0 277.412 1.593 10 0 CDAERP CCC[NH2+][C@@H]1c2ccccc2C[C@H]1N1CC[NH+](C)CC1 ZINC000043810999 175110181 /nfs/dbraw/zinc/11/01/81/175110181.db2.gz ZOFWRHKFLFSYMG-IAGOWNOFSA-N 2 0 273.424 1.899 10 0 CDAERP CC[NH2+][C@@H]1c2ccccc2C[C@H]1N1CCC[N@H+](C)CC1 ZINC000043818382 175113212 /nfs/dbraw/zinc/11/32/12/175113212.db2.gz KDEPEGBUIPBCMD-IAGOWNOFSA-N 2 0 273.424 1.899 10 0 CDAERP CC[NH2+][C@H]1CCC[C@@H]1N1CC[NH+](C(C)(C)C)CC1 ZINC000043965588 175127233 /nfs/dbraw/zinc/12/72/33/175127233.db2.gz FYBRDWPRIOFQEW-KBPBESRZSA-N 2 0 253.434 1.933 10 0 CDAERP CCC[NH2+][C@H]1CCOC[C@@H]1N1CC[NH+](CC2CC2)CC1 ZINC000043968023 175129108 /nfs/dbraw/zinc/12/91/08/175129108.db2.gz BSSYRGVJYNUYJG-HOTGVXAUSA-N 2 0 281.444 1.171 10 0 CDAERP CC[NH2+][C@@H]1CCOC[C@H]1N(C)C1CC[NH+](CC)CC1 ZINC000043978396 175133674 /nfs/dbraw/zinc/13/36/74/175133674.db2.gz YXCHGTKONHVFOT-HUUCEWRRSA-N 2 0 269.433 1.170 10 0 CDAERP COC(=O)c1oc(C[NH+]2CCC(C[NH3+])CC2)cc1C ZINC000044513167 175188884 /nfs/dbraw/zinc/18/88/84/175188884.db2.gz CYBDJQYNKOZIMO-UHFFFAOYSA-N 2 0 266.341 1.545 10 0 CDAERP C[C@H]1CCC[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2C)[NH2+]1 ZINC000044564936 175207212 /nfs/dbraw/zinc/20/72/12/175207212.db2.gz BOXXAJZVTODOMR-AVGNSLFASA-N 2 0 253.390 1.118 10 0 CDAERP CC[C@H](C[NH3+])C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000044798750 175255273 /nfs/dbraw/zinc/25/52/73/175255273.db2.gz QDPOCSIUENMPMH-QWHCGFSZSA-N 2 0 255.406 1.352 10 0 CDAERP CCCNC(=O)CC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C)C1 ZINC000045072512 175301757 /nfs/dbraw/zinc/30/17/57/175301757.db2.gz MJPBTMLLZXJECJ-STQMWFEESA-N 2 0 255.406 1.223 10 0 CDAERP CCCNC(=O)CC[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000045072637 175302230 /nfs/dbraw/zinc/30/22/30/175302230.db2.gz CHQRHPHHJVYCSM-XQQFMLRXSA-N 2 0 255.406 1.221 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CN2C[C@H](C)C[NH2+]C[C@H](C)C2)C1 ZINC000045136763 175313995 /nfs/dbraw/zinc/31/39/95/175313995.db2.gz GPEMBKKGARLXDI-XHSDSOJGSA-N 2 0 267.461 1.894 10 0 CDAERP COC(=O)[C@@](C)([NH3+])CCCC[N@H+](C)CCc1ccccn1 ZINC000045371933 175364185 /nfs/dbraw/zinc/36/41/85/175364185.db2.gz JCZDENJPEFQTKY-INIZCTEOSA-N 2 0 293.411 1.617 10 0 CDAERP C[NH2+][C@@](C)(CCCC[N@@H+]1CCC[C@@H](C)C1)C(N)=O ZINC000045377187 175366871 /nfs/dbraw/zinc/36/68/71/175366871.db2.gz DRFIBJKFUKUDDH-OCCSQVGLSA-N 2 0 255.406 1.352 10 0 CDAERP CCC[N@H+](CCCC[C@@](C)([NH3+])C(=O)OC)C1CC1 ZINC000045387398 175372911 /nfs/dbraw/zinc/37/29/11/175372911.db2.gz KUMULWFUFJBGNJ-CQSZACIVSA-N 2 0 256.390 1.922 10 0 CDAERP CC[C@@]1(C)C[C@@](C[NH3+])(N2CCC([NH+](C)C)CC2)CCO1 ZINC000070363614 175891829 /nfs/dbraw/zinc/89/18/29/175891829.db2.gz OBGSOLPBSTZLEL-HOTGVXAUSA-N 2 0 283.460 1.689 10 0 CDAERP CCC[NH2+][C@H]1CCCN(C[C@H](C)C[NH+]2CCCC2)C1=O ZINC000071031236 176022589 /nfs/dbraw/zinc/02/25/89/176022589.db2.gz REDHOUNHVKMSOH-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP C[C@@H](CCc1ccc(O)cc1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071148634 176044645 /nfs/dbraw/zinc/04/46/45/176044645.db2.gz BZMHLIWFLUXUKN-HNNXBMFYSA-N 2 0 291.439 1.550 10 0 CDAERP C[N@H+](CCC(=O)Nc1ccccc1N)C[C@H]1CC[NH+](C)C1 ZINC000071187682 176060925 /nfs/dbraw/zinc/06/09/25/176060925.db2.gz LQHPZZODRFSEBP-ZDUSSCGKSA-N 2 0 290.411 1.481 10 0 CDAERP Cc1ccc([C@@H]([C@H](C)[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)o1 ZINC000071187908 176061688 /nfs/dbraw/zinc/06/16/88/176061688.db2.gz OADCQBAQYJAIMT-GZBFAFLISA-N 2 0 265.401 1.860 10 0 CDAERP CCC[C@@]1(C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)CCC[NH2+]C1 ZINC000071189612 176065871 /nfs/dbraw/zinc/06/58/71/176065871.db2.gz HCWLEUJTXBEOIL-GDBMZVCRSA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)[NH2+]Cc1cccnc1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191650 176070396 /nfs/dbraw/zinc/07/03/96/176070396.db2.gz FKONFJCYWNBBNV-CQSZACIVSA-N 2 0 276.428 1.968 10 0 CDAERP C[NH2+]Cc1coc(CN(C)C[C@H]2CC[N@H+](C)C2)c1 ZINC000071191823 176072158 /nfs/dbraw/zinc/07/21/58/176072158.db2.gz CVDWJGNQDCXLAS-LBPRGKRZSA-N 2 0 251.374 1.383 10 0 CDAERP CCc1nc(N(C)C[C@H]2CC[N@H+](C)C2)sc1C[NH3+] ZINC000071192596 176074277 /nfs/dbraw/zinc/07/42/77/176074277.db2.gz FVCCRYKHBNLNKJ-JTQLQIEISA-N 2 0 268.430 1.552 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)CCC1CCC([NH3+])CC1 ZINC000071193288 176075274 /nfs/dbraw/zinc/07/52/74/176075274.db2.gz KSGUYILPRVJFMU-SHARSMKWSA-N 2 0 281.444 1.694 10 0 CDAERP CC[NH2+]CC(C)(C)CN1CC[NH+](CC(C)(C)O)CC1 ZINC000071381745 176145713 /nfs/dbraw/zinc/14/57/13/176145713.db2.gz UGBLVGNLTCSEQZ-UHFFFAOYSA-N 2 0 271.449 1.011 10 0 CDAERP NC(=[NH2+])c1cc2ccccc2nc1OCC[NH+]1CCCC1 ZINC000071390377 176148425 /nfs/dbraw/zinc/14/84/25/176148425.db2.gz WDISLOSLGIIRPX-UHFFFAOYSA-N 2 0 284.363 1.993 10 0 CDAERP Cc1cnc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cn1 ZINC000071871594 176283789 /nfs/dbraw/zinc/28/37/89/176283789.db2.gz KRZAEAVSEDGBTA-CQSZACIVSA-N 2 0 292.427 1.310 10 0 CDAERP COc1ccc([C@H](CC[NH3+])C[NH+]2CCOCC2)cc1 ZINC000076680103 177057948 /nfs/dbraw/zinc/05/79/48/177057948.db2.gz QUUQCMKBPGWWSO-CQSZACIVSA-N 2 0 264.369 1.460 10 0 CDAERP C[NH+](C)C1CCN([C@@H]2CC(C)(C)CC[C@H]2[NH3+])CC1 ZINC000079622223 177528104 /nfs/dbraw/zinc/52/81/04/177528104.db2.gz KBDLOOPXLWDQQL-ZIAGYGMSSA-N 2 0 253.434 1.918 10 0 CDAERP Cc1cc(C)c(C[NH+]2CCC(O)(C[NH3+])CC2)c(C)c1 ZINC000071589217 260162595 /nfs/dbraw/zinc/16/25/95/260162595.db2.gz PXILZRVSPJNQKB-UHFFFAOYSA-N 2 0 262.397 1.897 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@]23CCC[NH2+]C3)[C@H](C)C1 ZINC000655449288 423875361 /nfs/dbraw/zinc/87/53/61/423875361.db2.gz TVXWXYAJWMEQAG-AESZEHBQSA-N 2 0 293.455 1.565 10 0 CDAERP C[N@H+](CCNC(=O)NCCC1(C[NH3+])CC1)C1CCCC1 ZINC000652147425 423884330 /nfs/dbraw/zinc/88/43/30/423884330.db2.gz SVHWELZOLHTXTA-UHFFFAOYSA-N 2 0 282.432 1.289 10 0 CDAERP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]CC[C@@H]2CC[NH2+]C2)cn1 ZINC000662309616 423941428 /nfs/dbraw/zinc/94/14/28/423941428.db2.gz BASQAJYTIFFQMM-BPUTZDHNSA-N 2 0 276.428 1.721 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000659524374 423902353 /nfs/dbraw/zinc/90/23/53/423902353.db2.gz SVHSGOSYMUNTRG-UPJWGTAASA-N 2 0 270.421 1.177 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)NCCC1(C[NH3+])CC1 ZINC000652191678 424013208 /nfs/dbraw/zinc/01/32/08/424013208.db2.gz AWYLTYLULRAIQS-ZDUSSCGKSA-N 2 0 282.432 1.289 10 0 CDAERP CC[C@@H](Cn1cncn1)[NH2+]CCC[N@H+](C)CC(C)C ZINC000652222106 424096991 /nfs/dbraw/zinc/09/69/91/424096991.db2.gz FVVCAIDPIIWPAG-AWEZNQCLSA-N 2 0 267.421 1.624 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)NCCC[NH2+]C(C)C ZINC000652203417 424057088 /nfs/dbraw/zinc/05/70/88/424057088.db2.gz LBDANYZFSKRBRK-UHFFFAOYSA-N 2 0 292.427 1.593 10 0 CDAERP CCN(C(=O)NCC[NH+](C)C1CCCC1)[C@@H]1CC[N@H+](C)C1 ZINC000664006278 424102453 /nfs/dbraw/zinc/10/24/53/424102453.db2.gz LMNOGUVRAPKYHY-OAHLLOKOSA-N 2 0 296.459 1.596 10 0 CDAERP C[C@H]1C[C@H](N(C)C(=O)NCCC2CC[NH2+]CC2)CC[N@@H+]1C ZINC000652314095 424219226 /nfs/dbraw/zinc/21/92/26/424219226.db2.gz UNFGAYKBSNTTJE-DZGCQCFKSA-N 2 0 296.459 1.500 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000662730476 424382993 /nfs/dbraw/zinc/38/29/93/424382993.db2.gz GKKMCSTVAHZLDX-RSUWNVLCSA-N 2 0 297.443 1.009 10 0 CDAERP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H]3COC[C@]3(C)C2)CC1 ZINC000661703146 424323438 /nfs/dbraw/zinc/32/34/38/424323438.db2.gz JJEKIYXWBPJNIA-IRXDYDNUSA-N 2 0 295.471 1.371 10 0 CDAERP CCCCNC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652360587 424325334 /nfs/dbraw/zinc/32/53/34/424325334.db2.gz LYXOCWZJDQHOPU-ZNMIVQPWSA-N 2 0 297.443 1.264 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000659618346 424412554 /nfs/dbraw/zinc/41/25/54/424412554.db2.gz GVUJQJITJJMHRI-OLZOCXBDSA-N 2 0 272.437 1.375 10 0 CDAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000309819301 424456530 /nfs/dbraw/zinc/45/65/30/424456530.db2.gz PALWDLYGYHQIOR-YOEHRIQHSA-N 2 0 289.423 1.765 10 0 CDAERP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)O1 ZINC000665264638 424480586 /nfs/dbraw/zinc/48/05/86/424480586.db2.gz FFBIVQNHYBGSBF-DGXTUMSLSA-N 2 0 282.428 1.691 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C[C@H]([NH3+])c2ccccc2)C1 ZINC000655489362 424506566 /nfs/dbraw/zinc/50/65/66/424506566.db2.gz PAWYMBLOBIUFHJ-CFVMTHIKSA-N 2 0 275.396 1.533 10 0 CDAERP CN(CC[N@H+](C)C1CC1)C(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653156300 424554624 /nfs/dbraw/zinc/55/46/24/424554624.db2.gz XEUREAJUYLMNPZ-UONOGXRCSA-N 2 0 265.401 1.070 10 0 CDAERP Cc1nccn1CCCC[N@@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000661627353 424638017 /nfs/dbraw/zinc/63/80/17/424638017.db2.gz QKINTOWKDKFUNQ-NHAGDIPZSA-N 2 0 265.401 1.920 10 0 CDAERP C[C@H]([NH2+]CC(C)(C)O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185672575 270258439 /nfs/dbraw/zinc/25/84/39/270258439.db2.gz OXTGDUGMCHQJFE-STQMWFEESA-N 2 0 254.418 2.000 10 0 CDAERP C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000392918875 270336157 /nfs/dbraw/zinc/33/61/57/270336157.db2.gz WZQPYAZDMKMGRN-AVGNSLFASA-N 2 0 253.390 1.118 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](C)CC(F)(F)F ZINC000397020500 270346408 /nfs/dbraw/zinc/34/64/08/270346408.db2.gz RXBMGSAHCWMYEE-NXEZZACHSA-N 2 0 256.312 1.918 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000515861892 270453639 /nfs/dbraw/zinc/45/36/39/270453639.db2.gz RLXLKQIVPOCXSS-BBBYJDLNSA-N 2 0 279.428 1.591 10 0 CDAERP CN1C(=O)c2ccccc2[C@@H]1CN[C@H]1CCC[C@H]1[NH3+] ZINC000530224252 271167278 /nfs/dbraw/zinc/16/72/78/271167278.db2.gz LGYOXEYKJJMGJS-RDBSUJKOSA-N 2 0 259.353 1.283 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[NH+](C)CC1 ZINC000334334982 276006466 /nfs/dbraw/zinc/00/64/66/276006466.db2.gz ZDECXYKETWMCPM-CYBMUJFWSA-N 2 0 253.390 1.025 10 0 CDAERP CC(C)[C@H](O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000336788178 276024177 /nfs/dbraw/zinc/02/41/77/276024177.db2.gz OLGRLMLYBWYAQV-HUUCEWRRSA-N 2 0 254.418 1.954 10 0 CDAERP CC[NH+](CC)CC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000261633239 276321465 /nfs/dbraw/zinc/32/14/65/276321465.db2.gz BFPUHJPVFGGUJF-UHFFFAOYSA-N 2 0 277.412 1.358 10 0 CDAERP C(CN1CC[NH2+]CC1)[NH2+][C@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000423210138 276807580 /nfs/dbraw/zinc/80/75/80/276807580.db2.gz VXXGFSUIQADFGO-JYJNAYRXSA-N 2 0 281.444 1.077 10 0 CDAERP CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261731484 277130225 /nfs/dbraw/zinc/13/02/25/277130225.db2.gz HIHZXAPYMYSQDC-RHSMWYFYSA-N 2 0 295.471 1.860 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](C)c1nc(C)cs1 ZINC000423036846 277245669 /nfs/dbraw/zinc/24/56/69/277245669.db2.gz LWFLSKYDSMHOPY-CMPLNLGQSA-N 2 0 271.430 1.899 10 0 CDAERP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CC3(O)CC[NH+](C)CC3)C[C@H]2C1 ZINC000424322448 277351381 /nfs/dbraw/zinc/35/13/81/277351381.db2.gz VJZHAOKCELLJEM-NMWPEEMBSA-N 2 0 282.428 1.236 10 0 CDAERP CC(C)[NH+]1CCN(C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000367440745 277609344 /nfs/dbraw/zinc/60/93/44/277609344.db2.gz KDXFOCHSAWFABL-MRXNPFEDSA-N 2 0 281.444 1.266 10 0 CDAERP C[C@@H](C[NH2+][C@H]1CCCc2n[nH]cc21)N1CC[NH+](C)CC1 ZINC000367585356 278286520 /nfs/dbraw/zinc/28/65/20/278286520.db2.gz DDJLIEVHHOUKTR-JSGCOSHPSA-N 2 0 277.416 1.013 10 0 CDAERP CC[N@H+](CCNC(=O)N1CCC[NH+](C2CC2)CC1)C1CC1 ZINC000171250633 279194081 /nfs/dbraw/zinc/19/40/81/279194081.db2.gz BOXYMKJRMABPFV-UHFFFAOYSA-N 2 0 294.443 1.350 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000250214397 279313751 /nfs/dbraw/zinc/31/37/51/279313751.db2.gz CZWCSHJIQQDILR-RWMBFGLXSA-N 2 0 253.390 1.104 10 0 CDAERP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@](C)(O)C(C)C)C2)CC1 ZINC000187002276 279369521 /nfs/dbraw/zinc/36/95/21/279369521.db2.gz CJIZIKQQYRERMU-CVEARBPZSA-N 2 0 283.460 1.105 10 0 CDAERP C[C@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)C(C)(C)C[NH+](C)C ZINC000121201655 279398771 /nfs/dbraw/zinc/39/87/71/279398771.db2.gz JUCJBOGCFZCEME-QWHCGFSZSA-N 2 0 284.448 1.308 10 0 CDAERP C[C@@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)C(C)(C)C[NH+](C)C ZINC000121201807 279398796 /nfs/dbraw/zinc/39/87/96/279398796.db2.gz JUCJBOGCFZCEME-CHWSQXEVSA-N 2 0 284.448 1.308 10 0 CDAERP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000234336357 280124070 /nfs/dbraw/zinc/12/40/70/280124070.db2.gz OPSOEQYUMUGOBS-OLZOCXBDSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@]1(CNC(=O)c2ccccc2CC[NH3+])CCC[NH2+]C1 ZINC000517953834 281013572 /nfs/dbraw/zinc/01/35/72/281013572.db2.gz NOXFHWMEHOFEEE-INIZCTEOSA-N 2 0 275.396 1.307 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000094462995 288303159 /nfs/dbraw/zinc/30/31/59/288303159.db2.gz WGQORCPBHCWTDZ-IUODEOHRSA-N 2 0 288.395 1.846 10 0 CDAERP CC1(C)CN(C(=O)[C@H](C[NH3+])c2ccccc2)CC[C@H]1[NH3+] ZINC000261944047 281206934 /nfs/dbraw/zinc/20/69/34/281206934.db2.gz JQTWEEZUSPHLAK-ZIAGYGMSSA-N 2 0 275.396 1.315 10 0 CDAERP CC[C@@H](C)C[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001668640389 1173434425 /nfs/dbraw/zinc/43/44/25/1173434425.db2.gz BMZDTRHXZMPFLW-ZIAGYGMSSA-N 2 0 269.433 1.422 10 0 CDAERP C[NH+](C)CC1CCN(C(=O)[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000234216810 289106550 /nfs/dbraw/zinc/10/65/50/289106550.db2.gz CLFCPIFFBMNLQE-CQSZACIVSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@]1(CN2CCCC[C@H]([NH+]3CCCC3)C2)CC[NH2+]C1 ZINC000262074227 289163998 /nfs/dbraw/zinc/16/39/98/289163998.db2.gz SJQJWVYATKFZIX-JKSUJKDBSA-N 2 0 265.445 1.936 10 0 CDAERP CC(C)[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)CC1CC1 ZINC000552192472 290057725 /nfs/dbraw/zinc/05/77/25/290057725.db2.gz WRHHTTCSGBZDSN-UHFFFAOYSA-N 2 0 293.455 1.850 10 0 CDAERP CC(C)c1noc(CCC[NH2+]C[C@@H](O)CN(C)C2CC2)n1 ZINC000564445111 293357487 /nfs/dbraw/zinc/35/74/87/293357487.db2.gz YXMGZKIEZQIBBX-CYBMUJFWSA-N 2 0 296.415 1.170 10 0 CDAERP COC1(C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)CC[NH2+]CC1 ZINC000564987946 293480571 /nfs/dbraw/zinc/48/05/71/293480571.db2.gz CDDQBTQSBWEZKC-GFCCVEGCSA-N 2 0 291.395 1.091 10 0 CDAERP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000574049981 294936566 /nfs/dbraw/zinc/93/65/66/294936566.db2.gz UOXKIBZSOCQOGM-RIALXRMPSA-N 2 0 279.428 1.624 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1COc2ccccc2O1)[C@@H]1CCC[NH2+]C1 ZINC000574868592 295065908 /nfs/dbraw/zinc/06/59/08/295065908.db2.gz FOMFPYLUJVRYEU-BFHYXJOUSA-N 2 0 276.380 1.804 10 0 CDAERP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@@H]1CCCCN1CCO ZINC000423143945 295297106 /nfs/dbraw/zinc/29/71/06/295297106.db2.gz FQEVZLHGLSOMFA-RRFJBIMHSA-N 2 0 269.433 1.083 10 0 CDAERP [NH3+][C@H]1CCC[C@H](C(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000055088344 295336943 /nfs/dbraw/zinc/33/69/43/295336943.db2.gz XKNJYUJVUDOXCT-KBPBESRZSA-N 2 0 279.428 1.591 10 0 CDAERP [NH3+][C@H]1CCC[C@H](C(=O)N2CCC[N@@H+](C3CC3)CC2)C1 ZINC000178747316 295337151 /nfs/dbraw/zinc/33/71/51/295337151.db2.gz AOVAYJBFLVIXPO-STQMWFEESA-N 2 0 265.401 1.201 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC[N@@H+]1C ZINC000418533611 297257379 /nfs/dbraw/zinc/25/73/79/297257379.db2.gz DKEQIVVODOGCJH-YCPHGPKFSA-N 2 0 296.459 1.500 10 0 CDAERP C[C@H](CC(=O)N1CCC[C@H]1C[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC000251718583 298291199 /nfs/dbraw/zinc/29/11/99/298291199.db2.gz YWRTYDQFDCFXBE-ILXRZTDVSA-N 2 0 281.444 1.565 10 0 CDAERP CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)C(C)C ZINC001669985139 1173639733 /nfs/dbraw/zinc/63/97/33/1173639733.db2.gz DGULVZIORFOAKS-KGLIPLIRSA-N 2 0 269.433 1.611 10 0 CDAERP CCCC[NH2+]CCCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001670291842 1173670408 /nfs/dbraw/zinc/67/04/08/1173670408.db2.gz ZRERHORGWBNXSU-UHFFFAOYSA-N 2 0 283.460 1.957 10 0 CDAERP CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000563605686 316341050 /nfs/dbraw/zinc/34/10/50/316341050.db2.gz JDBVGSPMWALRFD-OLZOCXBDSA-N 2 0 284.448 1.484 10 0 CDAERP [NH3+]CC1(C(=O)N2CC3CCC2(C[NH3+])CC3)CCCC1 ZINC000576355831 317124809 /nfs/dbraw/zinc/12/48/09/317124809.db2.gz KVCQAFBFHPXACR-UHFFFAOYSA-N 2 0 265.401 1.235 10 0 CDAERP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NCCNc1cc[nH+]cc1 ZINC000577175058 317278566 /nfs/dbraw/zinc/27/85/66/317278566.db2.gz CCBCPNLOQCSOTD-GJZGRUSLSA-N 2 0 290.411 1.329 10 0 CDAERP CNC(=O)CCC[N@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000577641920 317375721 /nfs/dbraw/zinc/37/57/21/317375721.db2.gz XNOCVARZHFSQPF-UHFFFAOYSA-N 2 0 275.396 1.290 10 0 CDAERP CSCC[C@@H]([NH3+])C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000577727986 317389911 /nfs/dbraw/zinc/38/99/11/317389911.db2.gz MKXFMJUUUHDOPO-GXFFZTMASA-N 2 0 281.425 1.403 10 0 CDAERP C[C@@H](CNC(=O)N(C)CCC[NH+](C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000185373169 323389418 /nfs/dbraw/zinc/38/94/18/323389418.db2.gz MAMUJIIEAKSZQC-CABCVRRESA-N 2 0 298.475 1.700 10 0 CDAERP O=C(CC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)NC1CCCC1 ZINC000578868121 324043054 /nfs/dbraw/zinc/04/30/54/324043054.db2.gz PORCYLRSADONOE-MRXNPFEDSA-N 2 0 279.428 1.511 10 0 CDAERP CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000579493068 324205732 /nfs/dbraw/zinc/20/57/32/324205732.db2.gz YNITTWQTHHYFFR-GJZGRUSLSA-N 2 0 299.459 1.070 10 0 CDAERP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1CC[NH2+][C@H]1C)CC2 ZINC000579829716 324292410 /nfs/dbraw/zinc/29/24/10/324292410.db2.gz YXKTYOXETUVVKS-LJISPDSOSA-N 2 0 279.428 1.458 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1[NH2+][C@H]1CCN(c2ncccc2Cl)C1 ZINC000579944655 324321339 /nfs/dbraw/zinc/32/13/39/324321339.db2.gz MWLCOSXBVHLOPE-CYZMBNFOSA-N 2 0 280.803 1.783 10 0 CDAERP C[C@@H]1CC[C@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C[C@H]1C ZINC000580710614 324537951 /nfs/dbraw/zinc/53/79/51/324537951.db2.gz HCGYIMYMVZMBBC-WCVJEAGWSA-N 2 0 283.460 1.009 10 0 CDAERP C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1[NH2+]CCCF ZINC001673893703 1173895293 /nfs/dbraw/zinc/89/52/93/1173895293.db2.gz ZGURFKQELGMPJN-KBPBESRZSA-N 2 0 299.434 1.657 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000584166991 327054678 /nfs/dbraw/zinc/05/46/78/327054678.db2.gz ZVLQLKMJZUGVKZ-ILXRZTDVSA-N 2 0 253.434 1.839 10 0 CDAERP C[C@@H]1CCCC[C@@H]1CC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000584168162 327055358 /nfs/dbraw/zinc/05/53/58/327055358.db2.gz UXDYONWVLSZHHU-ZACQAIPSSA-N 2 0 297.487 1.401 10 0 CDAERP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCC1([NH3+])CCCCCC1 ZINC000584230513 327070215 /nfs/dbraw/zinc/07/02/15/327070215.db2.gz JSEISXXFJVIUKR-NEPJUHHUSA-N 2 0 270.421 1.463 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2[NH2+]1 ZINC000250340340 1159245431 /nfs/dbraw/zinc/24/54/31/1159245431.db2.gz BYOPHCFSWYOHHB-KFWWJZLASA-N 2 0 281.444 1.707 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CC[NH2+]CC2CC2)C1 ZINC001731946834 1159394665 /nfs/dbraw/zinc/39/46/65/1159394665.db2.gz RMPFVPAWQMBTDI-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP C[NH+]1CCC(C[NH2+]C2(C)CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000398004811 1159624089 /nfs/dbraw/zinc/62/40/89/1159624089.db2.gz ALAODMMKOHMDKR-UHFFFAOYSA-N 2 0 297.443 1.927 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CC[C@H](C2CC2)O1 ZINC000722315384 1159723472 /nfs/dbraw/zinc/72/34/72/1159723472.db2.gz WSISSJGZVAWXBL-BFHYXJOUSA-N 2 0 256.390 1.288 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CC1CC1 ZINC001691496223 1159758515 /nfs/dbraw/zinc/75/85/15/1159758515.db2.gz PTGQNJMTJIZPTI-UONOGXRCSA-N 2 0 267.417 1.317 10 0 CDAERP CC[NH2+]CCN(CC)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001268486170 1159954492 /nfs/dbraw/zinc/95/44/92/1159954492.db2.gz OEVIKSPROWMKQU-ZIAGYGMSSA-N 2 0 267.417 1.461 10 0 CDAERP C[NH+](C)CCOc1cccc(NC(=O)CC2([NH3+])CC2)c1 ZINC000398110267 482243873 /nfs/dbraw/zinc/24/38/73/482243873.db2.gz MPFYWBIXHIEJEE-UHFFFAOYSA-N 2 0 277.368 1.447 10 0 CDAERP C[N@H+](CCCNC(=O)CC1([NH3+])CC1)C1CCCCC1 ZINC000398106614 482243897 /nfs/dbraw/zinc/24/38/97/482243897.db2.gz ZVIMGUKGRDMDRB-UHFFFAOYSA-N 2 0 267.417 1.639 10 0 CDAERP COC[C@@H](C)C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000668818364 482351743 /nfs/dbraw/zinc/35/17/43/482351743.db2.gz GTLFACOSEVWEMN-ZFWWWQNUSA-N 2 0 254.418 1.981 10 0 CDAERP C[C@@]1(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CCC[NH2+]1 ZINC000079521463 482373835 /nfs/dbraw/zinc/37/38/35/482373835.db2.gz VLOGVKXHEJHKOV-HIFRSBDPSA-N 2 0 265.401 1.215 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000662620777 482408820 /nfs/dbraw/zinc/40/88/20/482408820.db2.gz BCMQQTXTJIZZEZ-UTUOFQBUSA-N 2 0 253.390 1.103 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH2+]CCC2(CO)CCC2)[C@@H](C)C1 ZINC000652038601 482436039 /nfs/dbraw/zinc/43/60/39/482436039.db2.gz YTBCCHOSJBIZPP-UONOGXRCSA-N 2 0 254.418 1.859 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000652291840 482459041 /nfs/dbraw/zinc/45/90/41/482459041.db2.gz KJAZERNTBJDWDG-SWLSCSKDSA-N 2 0 290.411 1.285 10 0 CDAERP Cc1cnn(CC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000675499331 482461294 /nfs/dbraw/zinc/46/12/94/482461294.db2.gz ACTNSBPVZNFZPQ-UHFFFAOYSA-N 2 0 271.368 1.409 10 0 CDAERP C[NH+](C)CC1CCN(C(=O)[C@H]2CCc3nc[nH]c3C2)CC1 ZINC000668679556 482501184 /nfs/dbraw/zinc/50/11/84/482501184.db2.gz MUSGELSGTZAQID-ZDUSSCGKSA-N 2 0 290.411 1.315 10 0 CDAERP [NH3+]C/C=C\CNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000669513438 482531144 /nfs/dbraw/zinc/53/11/44/482531144.db2.gz OHMJERQYJNFTMX-PLNGDYQASA-N 2 0 294.443 1.598 10 0 CDAERP C[C@@H]1C[C@@H](C)[NH+]1C[C@H](O)CN(C)Cc1ccccc1 ZINC000684208548 482703062 /nfs/dbraw/zinc/70/30/62/482703062.db2.gz NUSDTQBZVGNXJX-IIAWOOMASA-N 2 0 262.397 1.962 10 0 CDAERP COCC1(CC[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])CC1 ZINC000647801468 482756290 /nfs/dbraw/zinc/75/62/90/482756290.db2.gz WREKMKLTABQZRV-JHJVBQTASA-N 2 0 256.390 1.145 10 0 CDAERP CC(C)[C@@H]([NH3+])CCN(C)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000669403207 482886444 /nfs/dbraw/zinc/88/64/44/482886444.db2.gz OPYGCGJBVYIHCT-OLZOCXBDSA-N 2 0 270.421 1.095 10 0 CDAERP O=C1CC[C@@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)N1 ZINC000328581933 482898497 /nfs/dbraw/zinc/89/84/97/482898497.db2.gz MNZVEOQKLHZGAP-WUHRBBMRSA-N 2 0 251.374 1.616 10 0 CDAERP Cc1cc(C)n2c(CN[C@H]3C[NH2+]CC[C@@H]3C)cnc2n1 ZINC000666860517 482954233 /nfs/dbraw/zinc/95/42/33/482954233.db2.gz PHUSNPUCAOTSCK-HZMBPMFUSA-N 2 0 273.384 1.434 10 0 CDAERP [NH3+]C1CCC(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000250802917 483025959 /nfs/dbraw/zinc/02/59/59/483025959.db2.gz BUPSUEQOMKCCBZ-NWINJMCUSA-N 2 0 265.401 1.247 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000667040004 483062175 /nfs/dbraw/zinc/06/21/75/483062175.db2.gz KCLSNAAYCWCOJN-UKRRQHHQSA-N 2 0 299.422 1.992 10 0 CDAERP CC(C)[N@H+](C)CC1CCN(C(=O)C[C@H]2CC[NH2+]C2)CC1 ZINC000089745535 483129900 /nfs/dbraw/zinc/12/99/00/483129900.db2.gz YNKVGDWVAGUVKQ-OAHLLOKOSA-N 2 0 281.444 1.565 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054292470 483129929 /nfs/dbraw/zinc/12/99/29/483129929.db2.gz HJOQILSDZVJUSD-CHWSQXEVSA-N 2 0 255.406 1.223 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)NCCC1CC[NH+](C)CC1 ZINC000229944283 483246832 /nfs/dbraw/zinc/24/68/32/483246832.db2.gz AIWWQHUNBABDTM-ZDUSSCGKSA-N 2 0 255.406 1.208 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]([NH2+]CCN2C(=O)c3ccccc3C2=O)C1 ZINC000414923239 483294708 /nfs/dbraw/zinc/29/47/08/483294708.db2.gz IBKDTFTVHKCLKQ-NEPJUHHUSA-N 2 0 287.363 1.142 10 0 CDAERP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000667869259 483465481 /nfs/dbraw/zinc/46/54/81/483465481.db2.gz VIIYTQJWVXVXJN-JYJNAYRXSA-N 2 0 282.428 1.380 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCC[NH+](C)C2)[C@H](C)C1 ZINC000676539540 483524657 /nfs/dbraw/zinc/52/46/57/483524657.db2.gz BKBMSUXJZNOFIA-ILXRZTDVSA-N 2 0 296.459 1.452 10 0 CDAERP CC(C)C[NH+]1CCN(CC[NH2+][C@@H](C)[C@H]2CCCO2)CC1 ZINC000055076046 519725874 /nfs/dbraw/zinc/72/58/74/519725874.db2.gz LIRSDCNMPJGKQD-JKSUJKDBSA-N 2 0 283.460 1.417 10 0 CDAERP CC[NH2+]CC1(C[N@H+](CC)[C@H](C)COC)CCOCC1 ZINC000052182328 519913103 /nfs/dbraw/zinc/91/31/03/519913103.db2.gz LJIAOUDLYAHIBC-CQSZACIVSA-N 2 0 272.433 1.750 10 0 CDAERP CCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001713310552 1178489015 /nfs/dbraw/zinc/48/90/15/1178489015.db2.gz WWYPWDCWYZHKBD-QWHCGFSZSA-N 2 0 255.406 1.364 10 0 CDAERP CCCN(CC[NH+](C)C)[C@@H](C[NH3+])c1ccncc1 ZINC000045663805 521658028 /nfs/dbraw/zinc/65/80/28/521658028.db2.gz WPNSFIURXCBDAY-AWEZNQCLSA-N 2 0 250.390 1.355 10 0 CDAERP CC[NH2+]C[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001714454964 1179146171 /nfs/dbraw/zinc/14/61/71/1179146171.db2.gz VLUCAMVJULEUAL-KBPBESRZSA-N 2 0 269.433 1.469 10 0 CDAERP C[NH2+]Cc1nc(C(C)C)ncc1OCCC[NH+](C)C ZINC000051549324 522151749 /nfs/dbraw/zinc/15/17/49/522151749.db2.gz HIVAGOSHVJOMNT-UHFFFAOYSA-N 2 0 266.389 1.650 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001438237997 1161971299 /nfs/dbraw/zinc/97/12/99/1161971299.db2.gz XQQGUZYJAOSLLJ-LSDHHAIUSA-N 2 0 281.444 1.802 10 0 CDAERP CC(C)[NH2+][C@H](CO)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000070336950 519738688 /nfs/dbraw/zinc/73/86/88/519738688.db2.gz GUXYSLIMQHLPPW-INIZCTEOSA-N 2 0 283.460 1.153 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CC[C@H](C[NH+]2CCSCC2)O1 ZINC000052443297 519746508 /nfs/dbraw/zinc/74/65/08/519746508.db2.gz OBYLZYFYFRFZCW-ZIAGYGMSSA-N 2 0 272.458 1.828 10 0 CDAERP CC(C)[C@H](CNC(=O)[C@](C)([NH3+])c1ccccc1)[NH+](C)C ZINC000052882670 519815733 /nfs/dbraw/zinc/81/57/33/519815733.db2.gz GPXPIZZRKVAENU-GOEBONIOSA-N 2 0 277.412 1.563 10 0 CDAERP CCC[NH+]1CCC([C@@H](C)[NH2+]C[C@@H]2CN(C)CCN2C)CC1 ZINC000068800915 519847869 /nfs/dbraw/zinc/84/78/69/519847869.db2.gz QXHZLLVZKIJDGL-NVXWUHKLSA-N 2 0 296.503 1.332 10 0 CDAERP CCC[NH+]1CCN(C(=O)[C@H]2CCC[C@H]([NH3+])[C@@H]2C)CC1 ZINC000055124560 519856575 /nfs/dbraw/zinc/85/65/75/519856575.db2.gz JCBKVUIKDMBGDD-RDBSUJKOSA-N 2 0 267.417 1.304 10 0 CDAERP CCOCCC[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000053382968 519896708 /nfs/dbraw/zinc/89/67/08/519896708.db2.gz QSZRQAFEBABLTD-UHFFFAOYSA-N 2 0 257.422 1.029 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000061231573 519941733 /nfs/dbraw/zinc/94/17/33/519941733.db2.gz XQWYTSRLPNJUDR-GFCCVEGCSA-N 2 0 263.385 1.932 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@@H](CN2CC[NH+]([C@@H](C)CC)CC2)O1 ZINC000055073950 519980313 /nfs/dbraw/zinc/98/03/13/519980313.db2.gz IGLYJXCUFGNQEK-XHSDSOJGSA-N 2 0 283.460 1.560 10 0 CDAERP CC[NH2+]Cc1ccc(C[N@H+](CCCOC)CCOC)o1 ZINC000052543237 519995757 /nfs/dbraw/zinc/99/57/57/519995757.db2.gz GLBQHTJDECVCGU-UHFFFAOYSA-N 2 0 284.400 1.874 10 0 CDAERP CC[NH2+]Cc1ccc(CN2CCC[N@H+](C)CC2)o1 ZINC000052424193 519996857 /nfs/dbraw/zinc/99/68/57/519996857.db2.gz SWTCITAGLJTVCZ-UHFFFAOYSA-N 2 0 251.374 1.527 10 0 CDAERP CC[NH2+][C@@H](C)C1CC[NH+](C[C@H](O)COCC)CC1 ZINC000069274288 520059610 /nfs/dbraw/zinc/05/96/10/520059610.db2.gz VZTFFEBAAYZBAJ-JSGCOSHPSA-N 2 0 258.406 1.094 10 0 CDAERP CC[NH2+][C@@H](C)C1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000068875161 520060136 /nfs/dbraw/zinc/06/01/36/520060136.db2.gz LJIGOIGGZXIZIT-GXSJLCMTSA-N 2 0 268.323 1.620 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)Nc1c[nH+]ccc1N(C)C ZINC000061270311 520070955 /nfs/dbraw/zinc/07/09/55/520070955.db2.gz NKOULMISIIRBNE-JTQLQIEISA-N 2 0 250.346 1.474 10 0 CDAERP CC[NH2+][C@@](C)(CO)CCCN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000070337128 520136500 /nfs/dbraw/zinc/13/65/00/520136500.db2.gz IFMSLQKUEUCZGF-HZPDHXFCSA-N 2 0 283.460 1.297 10 0 CDAERP CCO[C@@H](C[NH3+])CC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000062740763 520308592 /nfs/dbraw/zinc/30/85/92/520308592.db2.gz VKTJRAWRCASDFF-MRXNPFEDSA-N 2 0 295.402 1.702 10 0 CDAERP CC[N@H+](CC1CC1)C[C@@]1(C[NH2+]C2CC2)CCOC1 ZINC000069239881 520957530 /nfs/dbraw/zinc/95/75/30/520957530.db2.gz NGJGJUTXCDWDOW-HNNXBMFYSA-N 2 0 252.402 1.877 10 0 CDAERP CCCN(CC[NH+](C)C)[C@H](c1ccco1)[C@@H](C)[NH3+] ZINC000045663668 521659123 /nfs/dbraw/zinc/65/91/23/521659123.db2.gz ZLCYAGDNVLTCRB-OCCSQVGLSA-N 2 0 253.390 1.942 10 0 CDAERP CC[NH+]1CCN([C@@H]2C[C@H](C(C)C)CC[C@@H]2[NH3+])CC1 ZINC000054554509 521693666 /nfs/dbraw/zinc/69/36/66/521693666.db2.gz FFKKGXHJQLAHKU-QLFBSQMISA-N 2 0 253.434 1.776 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1CC(=O)Nc1ccccc1C[NH3+] ZINC000061642619 521835273 /nfs/dbraw/zinc/83/52/73/521835273.db2.gz MUVLAFCBTFFNTH-AWEZNQCLSA-N 2 0 290.411 1.110 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1c1ccc(F)cc1C[NH3+] ZINC000061646073 521874345 /nfs/dbraw/zinc/87/43/45/521874345.db2.gz YXVHPVREVMKWSK-CYBMUJFWSA-N 2 0 251.349 1.815 10 0 CDAERP C[NH2+]C(C)(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000061300920 521938531 /nfs/dbraw/zinc/93/85/31/521938531.db2.gz GWKFHBRRCXSYCC-AWEZNQCLSA-N 2 0 275.396 1.375 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)C[C@@H]1CCC[NH2+]C1)c1cccs1 ZINC000054308713 522070941 /nfs/dbraw/zinc/07/09/41/522070941.db2.gz JQBPXFYKAFBGRM-QWHCGFSZSA-N 2 0 295.452 1.857 10 0 CDAERP C[NH2+]Cc1cnc(N(CC[NH+](C)C)CC(C)C)s1 ZINC000054906340 522145243 /nfs/dbraw/zinc/14/52/43/522145243.db2.gz AVNXKRWBQMZJKT-UHFFFAOYSA-N 2 0 270.446 1.887 10 0 CDAERP CC[C@@H](CC[NH3+])[N@@H+]1CCCN(Cc2cnn(CC)c2)CC1 ZINC000050539208 522497278 /nfs/dbraw/zinc/49/72/78/522497278.db2.gz PGVDYDATOOOBQF-INIZCTEOSA-N 2 0 293.459 1.538 10 0 CDAERP C[NH2+][C@H]1CCC[C@H]1CN1CC[NH+](CC(C)C)CC1 ZINC000055081972 522498783 /nfs/dbraw/zinc/49/87/83/522498783.db2.gz WPMHAAXCOXIUMG-GJZGRUSLSA-N 2 0 253.434 1.648 10 0 CDAERP CC[C@@H]([NH3+])[C@@H](c1ccncc1)N1CCC[C@@H]1C[NH+](C)C ZINC000061641985 522648587 /nfs/dbraw/zinc/64/85/87/522648587.db2.gz BWSPJQSBMYQWFC-BZUAXINKSA-N 2 0 276.428 1.886 10 0 CDAERP COC1CC[NH+](C[C@H]2CC[C@@H](C[NH2+]CC(C)C)O2)CC1 ZINC000052455445 522704189 /nfs/dbraw/zinc/70/41/89/522704189.db2.gz QXOWDIRXSZMRPJ-JKSUJKDBSA-N 2 0 284.444 1.890 10 0 CDAERP C[N@H+](CCn1cc(C[NH3+])nn1)CC1CCCCC1 ZINC000052346775 523000086 /nfs/dbraw/zinc/00/00/86/523000086.db2.gz QVPTVVKLNCGBIQ-UHFFFAOYSA-N 2 0 251.378 1.249 10 0 CDAERP COCC[NH+](CCOC)[C@@H](C)CC[NH2+]CC(C)C ZINC000052571538 523724248 /nfs/dbraw/zinc/72/42/48/523724248.db2.gz VQPYNZVCGUECQT-AWEZNQCLSA-N 2 0 260.422 1.605 10 0 CDAERP CC[C@@]1(CN2CCC[N@@H+]3CCC[C@@H]3C2)CC[NH2+]C1 ZINC000062943165 523735442 /nfs/dbraw/zinc/73/54/42/523735442.db2.gz KKSPLZMXJSEMHQ-HUUCEWRRSA-N 2 0 251.418 1.546 10 0 CDAERP C[NH+]1CCC(CNC(=O)C2CCC(C[NH3+])CC2)CC1 ZINC000055162867 523761121 /nfs/dbraw/zinc/76/11/21/523761121.db2.gz MODDGBSHAUIHNI-UHFFFAOYSA-N 2 0 267.417 1.210 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CNC(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050951739 523798812 /nfs/dbraw/zinc/79/88/12/523798812.db2.gz SERCBQRFSCXAHF-KBPBESRZSA-N 2 0 267.417 1.509 10 0 CDAERP CN1CC[NH+](C[C@H]2CC[C@@H](C[NH2+]C(C)(C)C)O2)CC1 ZINC000052379546 523907550 /nfs/dbraw/zinc/90/75/50/523907550.db2.gz JPMIBNZBNYFHHF-UONOGXRCSA-N 2 0 269.433 1.170 10 0 CDAERP C[NH+]1CCN([C@H](C[NH3+])c2cccc3cccnc32)CC1 ZINC000069502177 523919789 /nfs/dbraw/zinc/91/97/89/523919789.db2.gz FJUYQJUKMAVEHW-OAHLLOKOSA-N 2 0 270.380 1.482 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000055072549 523954309 /nfs/dbraw/zinc/95/43/09/523954309.db2.gz YALROAOVORCUJX-KKUMJFAQSA-N 2 0 253.434 1.920 10 0 CDAERP COCC[NH2+]Cc1ccccc1N1CCC([NH+](C)C)CC1 ZINC000062736190 523955601 /nfs/dbraw/zinc/95/56/01/523955601.db2.gz YQJRGYKCRJCNKD-UHFFFAOYSA-N 2 0 291.439 1.953 10 0 CDAERP C[NH+](C)CC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000340006836 524044824 /nfs/dbraw/zinc/04/48/24/524044824.db2.gz VEGWFPDEKNEMGT-UHFFFAOYSA-N 2 0 289.423 1.850 10 0 CDAERP CNC(=O)CCC[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000068817518 524064593 /nfs/dbraw/zinc/06/45/93/524064593.db2.gz MBFOXAAMNMCIRV-ZDUSSCGKSA-N 2 0 255.406 1.367 10 0 CDAERP C[C@H](CNC(=O)C[C@H]1CCCC[C@@H]1[NH3+])[NH+]1CCCCC1 ZINC000055135347 524387495 /nfs/dbraw/zinc/38/74/95/524387495.db2.gz NFMSSVZOKFHVRR-KFWWJZLASA-N 2 0 281.444 1.885 10 0 CDAERP C[C@@H](CC[NH+](C)C)[NH2+]C[C@@H](O)c1ccc2c(c1)OCO2 ZINC000049557353 524474850 /nfs/dbraw/zinc/47/48/50/524474850.db2.gz HVOPKUWFGFZOKD-WCQYABFASA-N 2 0 280.368 1.379 10 0 CDAERP C[C@@H](C[NH+]1CCCC1)NC(=O)COc1ccccc1C[NH3+] ZINC000049149402 524590172 /nfs/dbraw/zinc/59/01/72/524590172.db2.gz NOKFBKDKEMHFRR-ZDUSSCGKSA-N 2 0 291.395 1.125 10 0 CDAERP C[C@@H](C[NH2+]C(C)(C)C)CN1CCN(CC[NH+](C)C)CC1 ZINC000061655006 524734180 /nfs/dbraw/zinc/73/41/80/524734180.db2.gz ZGPVBAPFBBZAPD-HNNXBMFYSA-N 2 0 284.492 1.190 10 0 CDAERP C[C@H]1C[C@@H]([NH3+])CC[C@@H]1C(=O)NCC[NH+]1CCCCCC1 ZINC000055136273 524791442 /nfs/dbraw/zinc/79/14/42/524791442.db2.gz BTRAPWZEUIIYRN-KKUMJFAQSA-N 2 0 281.444 1.742 10 0 CDAERP C[C@H]([NH3+])[C@@H](c1ccccc1F)N1CC[C@H]([NH+](C)C)C1 ZINC000062964155 524838847 /nfs/dbraw/zinc/83/88/47/524838847.db2.gz BFVIFEFGPOVTRJ-HUBLWGQQSA-N 2 0 265.376 1.850 10 0 CDAERP C[C@@H](c1ccc(N)cc1)[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061642308 526059375 /nfs/dbraw/zinc/05/93/75/526059375.db2.gz IABBBDKHTLOMPJ-AWEZNQCLSA-N 2 0 276.428 1.509 10 0 CDAERP C[C@H](C(=O)N[C@@H](C[NH+](C)C)c1ccccc1)C1C[NH2+]C1 ZINC000164384707 526098873 /nfs/dbraw/zinc/09/88/73/526098873.db2.gz MQIFPLYLLAJABC-WFASDCNBSA-N 2 0 275.396 1.261 10 0 CDAERP O=C(CC[C@H]1CCCC[NH2+]1)NCCC[NH+]1CCCCC1 ZINC000050941358 526564548 /nfs/dbraw/zinc/56/45/48/526564548.db2.gz GHRCIQYTEMDATG-OAHLLOKOSA-N 2 0 281.444 1.901 10 0 CDAERP O[C@@H](C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)C(F)(F)F ZINC000068890085 527645880 /nfs/dbraw/zinc/64/58/80/527645880.db2.gz WMTLYVZQNLECJJ-QWRGUYRKSA-N 2 0 266.307 1.374 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)CCCC[NH3+])[C@H]1n1cccn1 ZINC000423150071 535511523 /nfs/dbraw/zinc/51/15/23/535511523.db2.gz YPTTWLMXMQSUBH-BYNSBNAKSA-N 2 0 280.416 1.709 10 0 CDAERP CCC[C@H](C(=O)N(C)CC[N@H+](C)C1CC1)[NH+](C)C ZINC000186788651 535575589 /nfs/dbraw/zinc/57/55/89/535575589.db2.gz JMOKVQKIBSGCHN-CYBMUJFWSA-N 2 0 255.406 1.269 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCOc1ccccc1F ZINC000422759466 536594690 /nfs/dbraw/zinc/59/46/90/536594690.db2.gz PDALVSXOFCEQAR-GFCCVEGCSA-N 2 0 270.348 1.548 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](C)Oc1cccc(F)c1 ZINC000422785948 536850206 /nfs/dbraw/zinc/85/02/06/536850206.db2.gz KGZPZCDQSJOPFN-OCCSQVGLSA-N 2 0 284.375 1.937 10 0 CDAERP C[N@@H+]1CCN(CC[NH2+]CC2(C)CCC2)CC1(C)C ZINC000441387924 538221191 /nfs/dbraw/zinc/22/11/91/538221191.db2.gz WXAWISXPTDTONA-UHFFFAOYSA-N 2 0 253.434 1.792 10 0 CDAERP CC[NH+]1CCC(CC[NH2+]C2CCN(C=O)CC2)CC1 ZINC000774216232 575189708 /nfs/dbraw/zinc/18/97/08/575189708.db2.gz XKQUKRWMCUGINA-UHFFFAOYSA-N 2 0 267.417 1.319 10 0 CDAERP C[NH+](C)C1(C(=O)N2CCC(C[NH+]3CCCC3)CC2)CCC1 ZINC000763042765 576703221 /nfs/dbraw/zinc/70/32/21/576703221.db2.gz BCWKGGVXASJKBB-UHFFFAOYSA-N 2 0 293.455 1.805 10 0 CDAERP CCCCCC[C@H](C)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000840732839 620676042 /nfs/dbraw/zinc/67/60/42/620676042.db2.gz ITRNQDHICSSTJL-JKSUJKDBSA-N 2 0 285.476 1.543 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001690108571 1175377236 /nfs/dbraw/zinc/37/72/36/1175377236.db2.gz GEXVGGRRNMBMGA-CQSZACIVSA-N 2 0 279.428 1.463 10 0 CDAERP O[C@H](CN1CC[C@]2(CC2(F)F)C1)C[NH+]1CCCC1 ZINC000844471753 617351291 /nfs/dbraw/zinc/35/12/91/617351291.db2.gz RKHOEIPBOWCHCG-RYUDHWBXSA-N 2 0 260.328 1.174 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2nnc3n2CCCCC3)C12CCC2 ZINC000925533675 617467386 /nfs/dbraw/zinc/46/73/86/617467386.db2.gz OCFVKHHVJYJHMO-CHWSQXEVSA-N 2 0 289.427 1.407 10 0 CDAERP COC(=O)N1CCC([NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925569880 617518687 /nfs/dbraw/zinc/51/86/87/617518687.db2.gz VIEMNXPSDLEKKI-YPMHNXCESA-N 2 0 283.416 1.713 10 0 CDAERP C([NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)[C@]12C[C@H]1CCC2 ZINC000925880473 617961860 /nfs/dbraw/zinc/96/18/60/617961860.db2.gz LDNSJJALUUTZGI-CWVYHPPDSA-N 2 0 264.413 1.923 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1CCC2(CCOCC2)CO1 ZINC000925773843 617653982 /nfs/dbraw/zinc/65/39/82/617653982.db2.gz PSXNRHAYMAFMQK-RRFJBIMHSA-N 2 0 282.428 1.822 10 0 CDAERP CS(=O)(=O)C1CCC(C[NH2+][C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000925803070 617738519 /nfs/dbraw/zinc/73/85/19/617738519.db2.gz VCGZBGNUOMPBQL-YIOUJQMASA-N 2 0 288.457 1.307 10 0 CDAERP C[C@@H](CC1CCOCC1)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925808724 617749437 /nfs/dbraw/zinc/74/94/37/617749437.db2.gz DTJAVSOVQBFAHM-ZDUSSCGKSA-N 2 0 269.433 1.204 10 0 CDAERP COC(=O)N(C)CC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925718709 617841904 /nfs/dbraw/zinc/84/19/04/617841904.db2.gz ZSPBHBQBSQXBCH-ZIAGYGMSSA-N 2 0 283.416 1.443 10 0 CDAERP C[C@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000925833376 617858265 /nfs/dbraw/zinc/85/82/65/617858265.db2.gz HIEXRLSWPBQICP-HBNTYKKESA-N 2 0 267.339 1.599 10 0 CDAERP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925848909 617885571 /nfs/dbraw/zinc/88/55/71/617885571.db2.gz GDLDGDYAJHNSIB-RDBSUJKOSA-N 2 0 280.412 1.696 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@@]1(C(F)(F)F)CCCN1 ZINC000925856483 617895535 /nfs/dbraw/zinc/89/55/35/617895535.db2.gz QZSGYYOWKSAFAA-FIQHERPVSA-N 2 0 295.349 1.013 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000925892601 617986876 /nfs/dbraw/zinc/98/68/76/617986876.db2.gz CCTCDCIWKFLSJS-CHWSQXEVSA-N 2 0 256.390 1.432 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000925892602 617987016 /nfs/dbraw/zinc/98/70/16/617987016.db2.gz CCTCDCIWKFLSJS-OLZOCXBDSA-N 2 0 256.390 1.432 10 0 CDAERP CC1(C)CC[C@H](C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)OC1 ZINC000925734026 618052229 /nfs/dbraw/zinc/05/22/29/618052229.db2.gz ZKNXGUSYXPPZAX-QKPAOTATSA-N 2 0 296.455 1.938 10 0 CDAERP [NH3+]CCCCCC[N@@H+]1CCOc2ccccc2[C@H]1CO ZINC000923554974 618342976 /nfs/dbraw/zinc/34/29/76/618342976.db2.gz UBDWWWUXBXGADR-OAHLLOKOSA-N 2 0 278.396 1.934 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@H]2C[C@@H](C)n3ncnc32)CC1 ZINC000924954214 618390480 /nfs/dbraw/zinc/39/04/80/618390480.db2.gz FYPGXGIVHZSMJT-OCCSQVGLSA-N 2 0 277.416 1.996 10 0 CDAERP C[C@H](C[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2)N1CC[NH+](C)CC1 ZINC000924967043 618483963 /nfs/dbraw/zinc/48/39/63/618483963.db2.gz WAFUYHRUKZDJPH-QXSJWSMHSA-N 2 0 263.429 1.567 10 0 CDAERP C[N@H+](CCNC1[C@@H]2CC[C@H]1C[NH+](C)C2)C1CCCC1 ZINC000924970074 618499607 /nfs/dbraw/zinc/49/96/07/618499607.db2.gz NQLFHPIJAOBVEF-MZBDJJRSSA-N 2 0 265.445 1.791 10 0 CDAERP [NH3+]Cc1ccc2c(c1)CCCN2C(=O)C[C@H]([NH3+])C1CC1 ZINC000841848553 618719069 /nfs/dbraw/zinc/71/90/69/618719069.db2.gz LOIXRNCWSSHBFB-AWEZNQCLSA-N 2 0 273.380 1.552 10 0 CDAERP C([NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000902742148 625302065 /nfs/dbraw/zinc/30/20/65/625302065.db2.gz KSJAWNDIYMVBBA-GHCOJBOBSA-N 2 0 276.424 1.874 10 0 CDAERP CC1(C)COC[C@@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000894575339 618971527 /nfs/dbraw/zinc/97/15/27/618971527.db2.gz DFFNATWNVNNLRB-AWEZNQCLSA-N 2 0 252.402 1.875 10 0 CDAERP C[C@H]1[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[N@@H+]1C ZINC000928439361 619082839 /nfs/dbraw/zinc/08/28/39/619082839.db2.gz NTWYWFAFBDOTBR-ZFWWWQNUSA-N 2 0 281.444 1.850 10 0 CDAERP CCOC(=O)CC(C)(C)C[NH2+]CC[C@H](C)[NH+](C)C ZINC000895294610 619523761 /nfs/dbraw/zinc/52/37/61/619523761.db2.gz XJPNYFOUQWWVPA-LBPRGKRZSA-N 2 0 258.406 1.896 10 0 CDAERP COCC[N@@H+](Cc1[nH]nc(C)c1C)CC1CC[NH+](C)CC1 ZINC000895416878 619649563 /nfs/dbraw/zinc/64/95/63/619649563.db2.gz FUUWFLGMUYTUSB-UHFFFAOYSA-N 2 0 294.443 1.817 10 0 CDAERP CC[NH+](CC)CC[C@H](CO)NC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000897634725 621041957 /nfs/dbraw/zinc/04/19/57/621041957.db2.gz NCGZISBOCVZBHK-ZIAGYGMSSA-N 2 0 299.459 1.068 10 0 CDAERP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902839170 625492979 /nfs/dbraw/zinc/49/29/79/625492979.db2.gz NRAJIQQFBJMTRE-NQLMQOPMSA-N 2 0 296.455 1.746 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=[NH2+])N[C@H](C)C2CC2)C1 ZINC000899269893 622146001 /nfs/dbraw/zinc/14/60/01/622146001.db2.gz FLQOHYMNXFTCDD-CHWSQXEVSA-N 2 0 266.433 1.877 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](CNC(=[NH2+])N[C@@H](C)C2CC2)C1 ZINC000899269898 622146293 /nfs/dbraw/zinc/14/62/93/622146293.db2.gz FLQOHYMNXFTCDD-STQMWFEESA-N 2 0 266.433 1.877 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC000900209088 622805130 /nfs/dbraw/zinc/80/51/30/622805130.db2.gz OOZVMJBDJALZMH-OWCLPIDISA-N 2 0 293.455 1.994 10 0 CDAERP Cc1cn(C(C)(C)C(=O)NCCCC[NH+](C)C)cn1 ZINC000900691492 623378482 /nfs/dbraw/zinc/37/84/82/623378482.db2.gz ZEUQZJUXLASKJV-UHFFFAOYSA-N 2 0 266.389 1.385 10 0 CDAERP C/C(=C/C(=O)N(C)CCCC[NH+](C)C)CN1CCOCC1 ZINC000900767455 623454472 /nfs/dbraw/zinc/45/44/72/623454472.db2.gz BUEJLOIEKMBKMD-SQFISAMPSA-N 2 0 297.443 1.065 10 0 CDAERP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC000901136669 623896478 /nfs/dbraw/zinc/89/64/78/623896478.db2.gz ZNPVUZZRSSVSAZ-ZIAGYGMSSA-N 2 0 277.412 1.025 10 0 CDAERP FC(F)(F)OCCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903471265 626003786 /nfs/dbraw/zinc/00/37/86/626003786.db2.gz HONMJRQSHFVMRF-VIFPVBQESA-N 2 0 252.280 1.787 10 0 CDAERP C1C[C@@H]([C@H]2CCCC[NH2+]2)[C@@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC000902463054 624855145 /nfs/dbraw/zinc/85/51/45/624855145.db2.gz ZDCZOMJCNJBBJV-RWHKXBQASA-N 2 0 263.429 1.780 10 0 CDAERP C[C@@]1(C2CC[NH+](CC3CC[NH2+]CC3)CC2)COC(=O)N1 ZINC000903416737 625986601 /nfs/dbraw/zinc/98/66/01/625986601.db2.gz ACISPFIHCDLXSP-HNNXBMFYSA-N 2 0 281.400 1.197 10 0 CDAERP CCCC(=O)NC[C@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903432851 625990810 /nfs/dbraw/zinc/99/08/10/625990810.db2.gz NMEHQDDFKQWFLE-KFWWJZLASA-N 2 0 281.444 1.742 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000903459926 625995541 /nfs/dbraw/zinc/99/55/41/625995541.db2.gz RBSBTJOKDROGRZ-TWJWRFFLSA-N 2 0 277.387 1.408 10 0 CDAERP COC[C@@H](C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1)C(C)C ZINC000903459762 625995584 /nfs/dbraw/zinc/99/55/84/625995584.db2.gz ZEHXXFXYIPTEPU-UKRRQHHQSA-N 2 0 295.431 1.292 10 0 CDAERP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CCOC2CC2)C1 ZINC000903461381 625995905 /nfs/dbraw/zinc/99/59/05/625995905.db2.gz RSLJIXUCJICDCK-VHDGCEQUSA-N 2 0 268.401 1.526 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)C1 ZINC000903460653 625996029 /nfs/dbraw/zinc/99/60/29/625996029.db2.gz GZAIURNPSKDGEE-QNWHQSFQSA-N 2 0 256.415 1.320 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000903463895 625996636 /nfs/dbraw/zinc/99/66/36/625996636.db2.gz RFERXZDMYCAECQ-DMRZNYOFSA-N 2 0 276.428 1.576 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@H]2CN2CCCC2)C1 ZINC000903442716 625997389 /nfs/dbraw/zinc/99/73/89/625997389.db2.gz ZQULOPKLXUQSJM-ZNMIVQPWSA-N 2 0 251.418 1.674 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H]2CN2CCCC2)C1 ZINC000903442715 625997492 /nfs/dbraw/zinc/99/74/92/625997492.db2.gz ZQULOPKLXUQSJM-RRFJBIMHSA-N 2 0 251.418 1.674 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CC[NH2+]CC12CCCCC2 ZINC000903446173 625999146 /nfs/dbraw/zinc/99/91/46/625999146.db2.gz UKOUUCGTBZGJMY-KGLIPLIRSA-N 2 0 251.418 1.450 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000903453730 626001471 /nfs/dbraw/zinc/00/14/71/626001471.db2.gz JZDBPVWNUXKVGS-VHDGCEQUSA-N 3 0 251.418 1.306 10 0 CDAERP CC(C)(C)OC[C@@H]1CCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000903565753 626021296 /nfs/dbraw/zinc/02/12/96/626021296.db2.gz PIKUVORATNVUMZ-AWEZNQCLSA-N 2 0 269.433 1.171 10 0 CDAERP C(C1CC1)[NH+](CC1CC1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903728466 626066284 /nfs/dbraw/zinc/06/62/84/626066284.db2.gz BZERJTFSOGFXDC-JKSUJKDBSA-N 2 0 264.413 1.877 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCCC2(C)C)cnn1C ZINC000903889073 626123849 /nfs/dbraw/zinc/12/38/49/626123849.db2.gz OCYHNEYRRPPDFV-CYBMUJFWSA-N 2 0 264.417 1.720 10 0 CDAERP [NH3+][C@H](CC(F)F)CN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000903905674 626140541 /nfs/dbraw/zinc/14/05/41/626140541.db2.gz LJWMKDJDERRQSE-NEPJUHHUSA-N 2 0 270.327 1.010 10 0 CDAERP CC(C)OC(=O)C1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000903955008 626166605 /nfs/dbraw/zinc/16/66/05/626166605.db2.gz YDWVEPXYTMCGEY-HNNXBMFYSA-N 2 0 268.401 1.650 10 0 CDAERP Cc1cc(C)n2c(C[NH2+]CC[C@@H]3C[NH2+]C[C@H]3C)cnc2n1 ZINC000903974200 626169112 /nfs/dbraw/zinc/16/91/12/626169112.db2.gz LRAKVQPVKMKYHW-BXUZGUMPSA-N 2 0 287.411 1.681 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]CC1=Cc2ccccc2OC1 ZINC000903967349 626172396 /nfs/dbraw/zinc/17/23/96/626172396.db2.gz HWJBOGKVKJTXNO-DOMZBBRYSA-N 2 0 258.365 1.908 10 0 CDAERP [NH3+][C@H](CC(F)F)CN1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903983824 626173601 /nfs/dbraw/zinc/17/36/01/626173601.db2.gz MJNIUNYJIDORQO-BWZBUEFSSA-N 2 0 275.265 1.180 10 0 CDAERP c1csc(-c2n[nH]cc2CN2CC[NH2+]CC[NH2+]CC2)c1 ZINC000904397585 626287278 /nfs/dbraw/zinc/28/72/78/626287278.db2.gz GBCGAFYJZNMRJR-UHFFFAOYSA-N 2 0 291.424 1.133 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=[NH2+])NC[C@@H]2CCCS2)C1 ZINC000905049320 626386229 /nfs/dbraw/zinc/38/62/29/626386229.db2.gz QRWJCZLQELJINL-KGLIPLIRSA-N 2 0 298.500 1.974 10 0 CDAERP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)C3(O)CCCC3)CC[C@H]21 ZINC000905941012 627053648 /nfs/dbraw/zinc/05/36/48/627053648.db2.gz SNNZCFTZOAWIDO-RBSFLKMASA-N 2 0 282.428 1.069 10 0 CDAERP C/C(=C\C(=O)N[C@H](C)C[N@H+](C)C(C)C)CN1CCOCC1 ZINC000908287043 628113649 /nfs/dbraw/zinc/11/36/49/628113649.db2.gz FQBWKRAQCIICJH-YVGNARHYSA-N 2 0 297.443 1.110 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000913290813 630438155 /nfs/dbraw/zinc/43/81/55/630438155.db2.gz RWMFDLKSOFLEMI-PVAVHDDUSA-N 2 0 293.455 1.661 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000919654450 632649286 /nfs/dbraw/zinc/64/92/86/632649286.db2.gz KVNZPWMLCJFOCA-CQSZACIVSA-N 2 0 296.459 1.643 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]CCCO)CCN1C(=O)CCCC[NH+](C)C ZINC001699738752 1158529950 /nfs/dbraw/zinc/52/99/50/1158529950.db2.gz MHBSISNSMZNBAW-GJZGRUSLSA-N 2 0 299.459 1.070 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCCF)C1 ZINC001691184759 1158949153 /nfs/dbraw/zinc/94/91/53/1158949153.db2.gz XNXUDJRHVXADFJ-RBSFLKMASA-N 2 0 299.434 1.705 10 0 CDAERP CC(C)C[C@@H](C)C[NH2+]CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001266988179 1159070216 /nfs/dbraw/zinc/07/02/16/1159070216.db2.gz GFXARICVTBZDKN-OAHLLOKOSA-N 2 0 295.471 1.812 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001690329567 1175439501 /nfs/dbraw/zinc/43/95/01/1175439501.db2.gz SQYYAMAIUCIJON-FQUUOJAGSA-N 2 0 267.417 1.364 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[C@H]2[NH3+])C1 ZINC000250529603 1159263025 /nfs/dbraw/zinc/26/30/25/1159263025.db2.gz WNAWGIBTNPCKRY-HZSPNIEDSA-N 2 0 267.417 1.350 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001410185947 1161589595 /nfs/dbraw/zinc/58/95/95/1161589595.db2.gz QDVGFHWZHKAYJH-XDQVBPFNSA-N 2 0 285.407 1.313 10 0 CDAERP C[NH+](C)CCCC1CC[NH+](C[C@@H](O)C2(O)CCC2)CC1 ZINC000930147245 1162002453 /nfs/dbraw/zinc/00/24/53/1162002453.db2.gz PQYNNPNONVUPLU-OAHLLOKOSA-N 2 0 284.444 1.316 10 0 CDAERP CC[C@H]1CCN(C(=[NH2+])NCC(C)(C)N2CC[NH+](C)CC2)C1 ZINC000864451128 1164544319 /nfs/dbraw/zinc/54/43/19/1164544319.db2.gz WJYCDNZHJPICHV-AWEZNQCLSA-N 2 0 295.475 1.269 10 0 CDAERP C[C@H]1C[C@H]1NC(=[NH2+])NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000864470343 1164550040 /nfs/dbraw/zinc/55/00/40/1164550040.db2.gz XWYIZWYGDRWGGY-DRPJVOAASA-N 2 0 286.423 1.854 10 0 CDAERP C[N@@H+]1CC[C@H](N[C@H]2CC[NH+](CC(C)(C)O)C2)[C@H]2CCC[C@@H]21 ZINC000866412396 1164780359 /nfs/dbraw/zinc/78/03/59/1164780359.db2.gz IIDRANDKHQZDEG-FZKCQIBNSA-N 2 0 295.471 1.294 10 0 CDAERP C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)C1CC[NH+](C)CC1 ZINC000866534739 1164792329 /nfs/dbraw/zinc/79/23/29/1164792329.db2.gz YCZBQNKWODXTLS-ZBFHGGJFSA-N 2 0 296.455 1.892 10 0 CDAERP C[C@@H](C(=O)N1c2ccccc2[C@@H]([NH3+])C1(C)C)[C@H](C)[NH3+] ZINC000867986269 1164894186 /nfs/dbraw/zinc/89/41/86/1164894186.db2.gz APMCLQNPSDJRIY-GBIKHYSHSA-N 2 0 261.369 1.795 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)N1c2ccccc2[C@H]([NH3+])C1(C)C ZINC000867987651 1164894842 /nfs/dbraw/zinc/89/48/42/1164894842.db2.gz NJDFZFXXGNZQRN-JSGCOSHPSA-N 2 0 291.395 1.564 10 0 CDAERP O=C(CC[NH2+]CC1CC1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000870853364 1165222953 /nfs/dbraw/zinc/22/29/53/1165222953.db2.gz ZADHPASKXJJBFC-HUUCEWRRSA-N 2 0 279.428 1.367 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870859319 1165223062 /nfs/dbraw/zinc/22/30/62/1165223062.db2.gz ZYZLIVLMNOEYOV-OWYJLGKBSA-N 2 0 265.401 1.119 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC1 ZINC000870893618 1165229747 /nfs/dbraw/zinc/22/97/47/1165229747.db2.gz ZVQJAXKSTHEKGS-VYDXJSESSA-N 2 0 293.455 1.694 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)C1 ZINC000870914958 1165233464 /nfs/dbraw/zinc/23/34/64/1165233464.db2.gz YELQNSHFKLCQRT-LVNYTYFRSA-N 2 0 291.439 1.352 10 0 CDAERP CN1Cc2ccccc2[C@@H]1CNC(=O)C[NH2+]CC1CC1 ZINC000870980162 1165246123 /nfs/dbraw/zinc/24/61/23/1165246123.db2.gz YCRVJMVJZVXTJV-HNNXBMFYSA-N 2 0 273.380 1.289 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CCOC2(CCCC2)C1)N1CC[NH+](C)CC1 ZINC000872032876 1165374458 /nfs/dbraw/zinc/37/44/58/1165374458.db2.gz BIDNQLBOWXIEDY-HZPDHXFCSA-N 2 0 295.471 1.704 10 0 CDAERP [NH3+]Cc1ccc2c(c1)CCCN2C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872257131 1165404175 /nfs/dbraw/zinc/40/41/75/1165404175.db2.gz AOMKLEXBIZVZIW-KEYYUXOJSA-N 2 0 285.391 1.552 10 0 CDAERP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000355063732 1167340015 /nfs/dbraw/zinc/34/00/15/1167340015.db2.gz QYCLYRMNEMXNJO-SOUVJXGZSA-N 2 0 299.459 1.190 10 0 CDAERP C[NH+](C)CC1(C(=O)NC2CCC([NH2+]CCCF)CC2)CC1 ZINC001566987078 1168489549 /nfs/dbraw/zinc/48/95/49/1168489549.db2.gz KKHSVDUHPSERSM-UHFFFAOYSA-N 2 0 299.434 1.705 10 0 CDAERP CC(C)CCC[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001567016837 1168511773 /nfs/dbraw/zinc/51/17/73/1168511773.db2.gz OFZJTEHDFHLRDY-RBSFLKMASA-N 2 0 283.460 1.857 10 0 CDAERP CC(C)[NH2+][C@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001567059040 1168538812 /nfs/dbraw/zinc/53/88/12/1168538812.db2.gz FOYWCXRGWBJCFT-KGLIPLIRSA-N 2 0 269.433 1.754 10 0 CDAERP C(C1CCOCC1)[C@@H]1COCCN1C[C@H]1CCC[NH2+]C1 ZINC001647548698 1168809912 /nfs/dbraw/zinc/80/99/12/1168809912.db2.gz WPYBBNBEWRECOF-JKSUJKDBSA-N 2 0 282.428 1.504 10 0 CDAERP CC[C@@H](C(=O)N(C)CC[NH2+]CCc1ccns1)[NH+](C)C ZINC001567561487 1168860090 /nfs/dbraw/zinc/86/00/90/1168860090.db2.gz QJVQCWQCPDUIDX-ZDUSSCGKSA-N 2 0 298.456 1.074 10 0 CDAERP CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001568075618 1169132533 /nfs/dbraw/zinc/13/25/33/1169132533.db2.gz FDSIAIONJHBIRR-HUUCEWRRSA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001568209357 1169179441 /nfs/dbraw/zinc/17/94/41/1169179441.db2.gz MABYEWCUNJIOIA-CQSZACIVSA-N 2 0 269.433 1.470 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001569096983 1169642847 /nfs/dbraw/zinc/64/28/47/1169642847.db2.gz GKYRFCNDAANWPN-OLZOCXBDSA-N 2 0 255.406 1.223 10 0 CDAERP O=C(N1CCC[C@@H]1C[NH2+]CCCF)C12CCC[NH+]1CCC2 ZINC001569547089 1169920002 /nfs/dbraw/zinc/92/00/02/1169920002.db2.gz FLOFDRRWFIVFTJ-CQSZACIVSA-N 2 0 297.418 1.555 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]CCC2CC2)C1 ZINC001569854732 1170018200 /nfs/dbraw/zinc/01/82/00/1170018200.db2.gz FMTUZGITMUVTOR-GOEBONIOSA-N 2 0 295.471 1.811 10 0 CDAERP C[C@H](O)C[NH2+]C[C@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001570092752 1170076726 /nfs/dbraw/zinc/07/67/26/1170076726.db2.gz KJFUQJHLXMLFGJ-LSDHHAIUSA-N 2 0 299.459 1.070 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC[C@@H](C)F)C1)[NH+](C)C ZINC001571129387 1170338383 /nfs/dbraw/zinc/33/83/83/1170338383.db2.gz GFTRPNXYVMOWEK-AAVRWANBSA-N 2 0 287.423 1.559 10 0 CDAERP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)NCC[NH+]3CCCCC3)[C@H]2C1 ZINC001650551928 1171171757 /nfs/dbraw/zinc/17/17/57/1171171757.db2.gz RQUAEAPIYPZMJK-KKUMJFAQSA-N 2 0 294.443 1.112 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001661793199 1172447933 /nfs/dbraw/zinc/44/79/33/1172447933.db2.gz OAAOSRBUEPGLTH-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP CC[NH2+]CCN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001664186758 1172821881 /nfs/dbraw/zinc/82/18/81/1172821881.db2.gz SISCKJWYXUVCDZ-CQSZACIVSA-N 2 0 273.396 1.267 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)CC[NH2+]Cc1ccccc1F ZINC001664321589 1172839662 /nfs/dbraw/zinc/83/96/62/1172839662.db2.gz SMMPMUQROZOOQM-UHFFFAOYSA-N 2 0 295.402 1.716 10 0 CDAERP C[C@H](C[NH2+]CC[C@H](C)F)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001666976740 1173215253 /nfs/dbraw/zinc/21/52/53/1173215253.db2.gz KOXIFYLCFNDNPL-QWHCGFSZSA-N 2 0 287.423 1.513 10 0 CDAERP CC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001667634537 1173303115 /nfs/dbraw/zinc/30/31/15/1173303115.db2.gz PKQLJIKGJKHTLS-ZIAGYGMSSA-N 2 0 267.417 1.413 10 0 CDAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)NC/C=C\C[NH2+]CCF ZINC001668898982 1173477180 /nfs/dbraw/zinc/47/71/80/1173477180.db2.gz FQCFFNHXBSFANH-SREVYHEPSA-N 2 0 299.434 1.871 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[NH+]1CCCC1 ZINC001676272905 1174198197 /nfs/dbraw/zinc/19/81/97/1174198197.db2.gz FKQURNKMJDDTFV-UKRRQHHQSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]CC1CCC1 ZINC001690650917 1175536775 /nfs/dbraw/zinc/53/67/75/1175536775.db2.gz UKSMNYUZSDVEKU-LBPRGKRZSA-N 2 0 255.406 1.221 10 0 CDAERP COCC[NH2+][C@@H](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001690866794 1175594798 /nfs/dbraw/zinc/59/47/98/1175594798.db2.gz AZFMDJOHMFFVQJ-GJZGRUSLSA-N 2 0 299.459 1.382 10 0 CDAERP CC/C=C\CC[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001690879355 1175597856 /nfs/dbraw/zinc/59/78/56/1175597856.db2.gz GFSWLKWMFXVLKN-JGUVHBTRSA-N 2 0 281.444 1.779 10 0 CDAERP C[C@@H]1[C@H](C(=O)NCCC[C@@H]2CCC[NH+]2CCF)CC[N@@H+]1C ZINC001690896649 1175604551 /nfs/dbraw/zinc/60/45/51/1175604551.db2.gz DFDAIZQHEKDRQK-RBSFLKMASA-N 2 0 299.434 1.657 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H]1C ZINC001692221353 1175705621 /nfs/dbraw/zinc/70/56/21/1175705621.db2.gz LVNKQMCBZQVZTI-FRRDWIJNSA-N 2 0 255.406 1.316 10 0 CDAERP CCCCC[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001692327629 1175737871 /nfs/dbraw/zinc/73/78/71/1175737871.db2.gz GDTVMESQPBGDAH-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+]1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]CCCF)CC2)CC1 ZINC001698710950 1175901699 /nfs/dbraw/zinc/90/16/99/1175901699.db2.gz HCBUNVMMBZBOKW-SHTZXODSSA-N 2 0 299.434 1.705 10 0 CDAERP CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001699474183 1176433407 /nfs/dbraw/zinc/43/34/07/1176433407.db2.gz KHFFHPWBQPOOPL-ZIAGYGMSSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)[NH2+]CCCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001699550534 1176471697 /nfs/dbraw/zinc/47/16/97/1176471697.db2.gz FYHPENWAJRVRMC-ZIAGYGMSSA-N 2 0 269.433 1.706 10 0 CDAERP CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001700062178 1176736485 /nfs/dbraw/zinc/73/64/85/1176736485.db2.gz JUJPBLKDYKCABB-LSDHHAIUSA-N 2 0 281.444 1.707 10 0 CDAERP COCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@H]1C ZINC001700323747 1176852071 /nfs/dbraw/zinc/85/20/71/1176852071.db2.gz LORSRJHBAHMWCN-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP CC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001700507039 1176988853 /nfs/dbraw/zinc/98/88/53/1176988853.db2.gz OJQMYFALRNZVOA-KGLIPLIRSA-N 2 0 269.433 1.421 10 0 CDAERP CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001700766291 1177121335 /nfs/dbraw/zinc/12/13/35/1177121335.db2.gz UJFPKVAHMJPUEO-IHRRRGAJSA-N 2 0 269.433 1.563 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CCCOC)[C@H]1C ZINC001700891261 1177182066 /nfs/dbraw/zinc/18/20/66/1177182066.db2.gz ZNGOMGJXCIPQQS-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]CCCF)C1 ZINC001700913346 1177194474 /nfs/dbraw/zinc/19/44/74/1177194474.db2.gz SPEZXVYGYCZOQX-UONOGXRCSA-N 2 0 287.423 1.561 10 0 CDAERP CO[C@@H](C)C[N@H+]1CC=C(CNC(=O)CCC[NH+](C)C)CC1 ZINC001701055443 1177257917 /nfs/dbraw/zinc/25/79/17/1177257917.db2.gz HUDAPWKGIUEZQI-AWEZNQCLSA-N 2 0 297.443 1.111 10 0 CDAERP C[C@H](Cc1c[nH]cn1)C(=O)NCCC[N@H+](C)CC1CCC1 ZINC001707405775 1178021533 /nfs/dbraw/zinc/02/15/33/1178021533.db2.gz CMQWSNFMWXPAMR-CYBMUJFWSA-N 2 0 292.427 1.827 10 0 CDAERP CC(C)CC[N@H+](C)CCCNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001707418784 1178032858 /nfs/dbraw/zinc/03/28/58/1178032858.db2.gz JECCYSQTVHFNAW-KRWDZBQOSA-N 2 0 295.471 1.957 10 0 CDAERP C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)CC1CCC1 ZINC001712939404 1178252339 /nfs/dbraw/zinc/25/23/39/1178252339.db2.gz LUCQRXQYHRAHEL-AWEZNQCLSA-N 2 0 267.417 1.319 10 0 CDAERP C[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)CC1CCC1 ZINC001712983133 1178286212 /nfs/dbraw/zinc/28/62/12/1178286212.db2.gz XIBDMKRWFZVLPV-UHFFFAOYSA-N 2 0 279.428 1.320 10 0 CDAERP C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CCCF ZINC001713316363 1178493369 /nfs/dbraw/zinc/49/33/69/1178493369.db2.gz PHEAOEQDGVMOPC-OLZOCXBDSA-N 2 0 273.396 1.315 10 0 CDAERP CC(C)[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001713409907 1178544532 /nfs/dbraw/zinc/54/45/32/1178544532.db2.gz CGCZJGFBTROXNF-QWHCGFSZSA-N 2 0 255.406 1.364 10 0 CDAERP CCCC[NH2+]CCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001713643263 1178693416 /nfs/dbraw/zinc/69/34/16/1178693416.db2.gz FYZDVKIDJDKHIJ-LSDHHAIUSA-N 2 0 281.444 1.851 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+]Cc1ccccc1F ZINC001713667098 1178703274 /nfs/dbraw/zinc/70/32/74/1178703274.db2.gz PLXBRNRUEPPZMZ-UHFFFAOYSA-N 2 0 295.402 1.714 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001714017820 1178928344 /nfs/dbraw/zinc/92/83/44/1178928344.db2.gz GJMAFBNFVSOQEB-SYQHCUMBSA-N 2 0 267.417 1.221 10 0 CDAERP CCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](CCCOC)C1 ZINC001714054522 1178949119 /nfs/dbraw/zinc/94/91/19/1178949119.db2.gz WNBSBYIPUSJVHB-OAHLLOKOSA-N 2 0 297.443 1.042 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N[C@](C)(C[NH2+]C/C=C\Cl)C2CC2)C1 ZINC001714175833 1179004518 /nfs/dbraw/zinc/00/45/18/1179004518.db2.gz AIKLIQAFAPMFOG-QMHANXCRSA-N 2 0 299.846 1.565 10 0 CDAERP CCCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001714247183 1179044374 /nfs/dbraw/zinc/04/43/74/1179044374.db2.gz RHTXFGXAEOLWTB-STQMWFEESA-N 2 0 255.406 1.365 10 0 CDAERP COCC[NH2+][C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001714332156 1179086065 /nfs/dbraw/zinc/08/60/65/1179086065.db2.gz ZHHXDKKWFWVHST-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H]2C[NH2+]C/C=C/Cl)C1 ZINC001714353843 1179101550 /nfs/dbraw/zinc/10/15/50/1179101550.db2.gz YCFMCVDVTFMETM-DZYGNGBISA-N 2 0 299.846 1.661 10 0 CDAERP C[C@H](Cc1c[nH]cn1)C(=O)N(C)CC[NH2+]CC1CCCC1 ZINC001714768319 1179387217 /nfs/dbraw/zinc/38/72/17/1179387217.db2.gz RQCSOVYFSAPRLA-CYBMUJFWSA-N 2 0 292.427 1.827 10 0 CDAERP CN(CC[NH2+]Cc1ccccc1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001714780329 1179394788 /nfs/dbraw/zinc/39/47/88/1179394788.db2.gz JQPFMFCIYLHIBH-INIZCTEOSA-N 2 0 289.423 1.576 10 0 CDAERP CC/C=C/CCN1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001714960055 1179477680 /nfs/dbraw/zinc/47/76/80/1179477680.db2.gz UNXXXOXPVUHQDK-MUBLQREKSA-N 2 0 265.401 1.095 10 0 CDAERP CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001715068844 1179538264 /nfs/dbraw/zinc/53/82/64/1179538264.db2.gz SHWLHWFQGYKWFE-KBPBESRZSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@@](C)(C[NH2+]CCCF)C2CC2)C1 ZINC001715115740 1179556442 /nfs/dbraw/zinc/55/64/42/1179556442.db2.gz HLOCKNUGEGMBRT-CJNGLKHVSA-N 2 0 299.434 1.562 10 0 CDAERP CCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001715255136 1179598403 /nfs/dbraw/zinc/59/84/03/1179598403.db2.gz RHLDFXGNUBUBAW-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP CCOCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001715312626 1179618092 /nfs/dbraw/zinc/61/80/92/1179618092.db2.gz CAFZMSDRBOFRLA-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)=CC[N@@H+](C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001715538226 1179706924 /nfs/dbraw/zinc/70/69/24/1179706924.db2.gz ZYHNAYXPGSZWMV-UHFFFAOYSA-N 2 0 279.428 1.439 10 0 CDAERP C[C@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)CC[NH2+]CCF ZINC001715688014 1179764310 /nfs/dbraw/zinc/76/43/10/1179764310.db2.gz JVOMRLHXVGCSAY-MNOVXSKESA-N 2 0 270.352 1.042 10 0 CDAERP COC[C@@H](C)[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001715859051 1179875742 /nfs/dbraw/zinc/87/57/42/1179875742.db2.gz BDLABNYUJMQKMG-PFTUTDBESA-N 2 0 297.443 1.014 10 0 CDAERP CC[NH2+]C/C=C\CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001715882771 1179894993 /nfs/dbraw/zinc/89/49/93/1179894993.db2.gz KFBXHOWMFUXAGZ-WAYWQWQTSA-N 2 0 275.396 1.644 10 0 CDAERP CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001715928736 1179922838 /nfs/dbraw/zinc/92/28/38/1179922838.db2.gz XAFPKMVQHFRIOY-CHWSQXEVSA-N 2 0 255.406 1.364 10 0 CDAERP C[C@H](C[NH2+]CCF)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001715951983 1179938159 /nfs/dbraw/zinc/93/81/59/1179938159.db2.gz BYBFJZGWLXIAMZ-CHWSQXEVSA-N 2 0 273.396 1.315 10 0 CDAERP C[C@@H](C[NH2+]C/C=C\Cl)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001715975666 1179956833 /nfs/dbraw/zinc/95/68/33/1179956833.db2.gz FPQWNIYXMIRBEP-CAFGLBOLSA-N 2 0 285.819 1.175 10 0 CDAERP C[C@@H](C[NH2+]CCC(F)(F)F)NC(=O)CCC[NH+](C)C ZINC001715992410 1179968929 /nfs/dbraw/zinc/96/89/29/1179968929.db2.gz JADPHZXBIYMMHO-JTQLQIEISA-N 2 0 283.338 1.375 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccon1)[NH+](C)C ZINC001716189167 1180088804 /nfs/dbraw/zinc/08/88/04/1180088804.db2.gz UUUXDDZAHUUTON-JSGCOSHPSA-N 2 0 296.415 1.245 10 0 CDAERP Cc1cnc(C[NH2+]CC[C@H](C)NC(=O)C[NH+]2CCCC2)o1 ZINC001716196997 1180093055 /nfs/dbraw/zinc/09/30/55/1180093055.db2.gz WCOTTXYGHDSJOM-LBPRGKRZSA-N 2 0 294.399 1.063 10 0 CDAERP CCN(CC[NH2+]C[C@H](C)O)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001716216961 1180106161 /nfs/dbraw/zinc/10/61/61/1180106161.db2.gz IMHCXLJYHKJARN-AWEZNQCLSA-N 2 0 299.459 1.070 10 0 CDAERP CCCC[NH2+]C/C=C\CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001716295303 1180146433 /nfs/dbraw/zinc/14/64/33/1180146433.db2.gz MYEMPDLXHVALMG-XVWMLYKFSA-N 2 0 279.428 1.390 10 0 CDAERP CC(C)[NH2+]CCCN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001716545992 1180279730 /nfs/dbraw/zinc/27/97/30/1180279730.db2.gz CSSDOIAVQHYIDT-UHFFFAOYSA-N 2 0 255.406 1.317 10 0 CDAERP CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001717084075 1180527159 /nfs/dbraw/zinc/52/71/59/1180527159.db2.gz HLOIHCTVKHEBRY-HIFRSBDPSA-N 2 0 279.428 1.176 10 0 CDAERP CC[NH2+][C@H](CCN(C)C(=O)CC[NH+](C)C)C(C)C ZINC001717515263 1180719745 /nfs/dbraw/zinc/71/97/45/1180719745.db2.gz JIPJXWFWGXWKRP-CYBMUJFWSA-N 2 0 257.422 1.421 10 0 CDAERP CCC[NH2+]C[C@]1(C)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001724263177 1181659633 /nfs/dbraw/zinc/65/96/33/1181659633.db2.gz NOPPFQQMZURZSB-HNNXBMFYSA-N 2 0 279.428 1.320 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NC2CC(C[NH2+]CCC(C)(C)C)C2)C1 ZINC001725073533 1181845914 /nfs/dbraw/zinc/84/59/14/1181845914.db2.gz UVJRMTFLODWMNT-SLTAFYQDSA-N 2 0 295.471 1.859 10 0 CDAERP CC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H]1C ZINC001725572488 1182051159 /nfs/dbraw/zinc/05/11/59/1182051159.db2.gz BOGXEVKBFJNXLM-QWHCGFSZSA-N 2 0 255.406 1.317 10 0 CDAERP CC(C)CC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001725570715 1182053833 /nfs/dbraw/zinc/05/38/33/1182053833.db2.gz XGPWQUZDSNBOSD-UONOGXRCSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)CC[NH2+]C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001725651728 1182086986 /nfs/dbraw/zinc/08/69/86/1182086986.db2.gz GGOVIXGAVNFKIJ-CABCVRRESA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)[N@H+]1CC=C(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001725863307 1182147895 /nfs/dbraw/zinc/14/78/95/1182147895.db2.gz RYSXHYZZEWVBPA-UHFFFAOYSA-N 2 0 279.428 1.485 10 0 CDAERP CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261991242 1182203897 /nfs/dbraw/zinc/20/38/97/1182203897.db2.gz SJIDAVMEKLDGLW-RDBSUJKOSA-N 2 0 284.400 1.029 10 0 CDAERP CC(C)CCC[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001731232787 1182265094 /nfs/dbraw/zinc/26/50/94/1182265094.db2.gz VZBBQESKVIUHBS-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP COCC[N@H+](C)CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001731271228 1182286550 /nfs/dbraw/zinc/28/65/50/1182286550.db2.gz LHCYRAJNZHUAMM-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CC[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)C[C@H](C)OC ZINC001731315684 1182314069 /nfs/dbraw/zinc/31/40/69/1182314069.db2.gz KGWAOSJRHSWWMN-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@H](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CCCO ZINC001731736336 1182541131 /nfs/dbraw/zinc/54/11/31/1182541131.db2.gz UUZXKHLJMZJTGS-CABCVRRESA-N 2 0 299.459 1.118 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001731792284 1182584651 /nfs/dbraw/zinc/58/46/51/1182584651.db2.gz SIBAGFNGGJDCPC-ZDUSSCGKSA-N 2 0 267.417 1.176 10 0 CDAERP CCC[NH2+]CCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001731924977 1182681604 /nfs/dbraw/zinc/68/16/04/1182681604.db2.gz CAFFBKGMHLTJBU-UHFFFAOYSA-N 2 0 274.368 1.714 10 0 CDAERP CCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001732313637 1182903679 /nfs/dbraw/zinc/90/36/79/1182903679.db2.gz QRRIKFPPFCMLAG-RBSFLKMASA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)OCC[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001732437780 1182964551 /nfs/dbraw/zinc/96/45/51/1182964551.db2.gz OBPVPXZFHRTLAW-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCCOC)[C@H](C)C1 ZINC001732495691 1182989752 /nfs/dbraw/zinc/98/97/52/1182989752.db2.gz OAYRRPQDXKOKRQ-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@H](C[NH2+]CCF)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001732957368 1183205190 /nfs/dbraw/zinc/20/51/90/1183205190.db2.gz DHACBEOOXDITKU-OCCSQVGLSA-N 2 0 285.407 1.457 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001733181007 1183320421 /nfs/dbraw/zinc/32/04/21/1183320421.db2.gz MZVUUBXJCIOCOZ-MRXNPFEDSA-N 2 0 295.471 1.859 10 0 CDAERP C[C@@H]1[C@H](C(=O)NC2CC(C[NH2+]C/C=C/Cl)C2)CC[N@@H+]1C ZINC001733949522 1183581159 /nfs/dbraw/zinc/58/11/59/1183581159.db2.gz WVCRVODMXBUGMZ-ADTFSPCLSA-N 2 0 299.846 1.564 10 0 CDAERP C[NH+](C)CC(C)(C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001771916440 1186204627 /nfs/dbraw/zinc/20/46/27/1186204627.db2.gz CVNLOTPSIXCJFB-UHFFFAOYSA-N 2 0 295.471 1.909 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CC(C)(C)O)CC1 ZINC000303989546 1186582475 /nfs/dbraw/zinc/58/24/75/1186582475.db2.gz KSBBYKBRBWLHDI-GASCZTMLSA-N 2 0 283.460 1.248 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CC(C)(C)O)CC1 ZINC000303989548 1186583371 /nfs/dbraw/zinc/58/33/71/1186583371.db2.gz KSBBYKBRBWLHDI-HUUCEWRRSA-N 2 0 283.460 1.248 10 0 CDAERP CN(Cc1ccccc1)C[C@@H](O)C[N@H+](C)C[C@H]1CCOC1 ZINC000304767200 1186632769 /nfs/dbraw/zinc/63/27/69/1186632769.db2.gz VYDCVZMUEREASM-IAGOWNOFSA-N 2 0 292.423 1.448 10 0 CDAERP C[NH+]1CCC(NC(=O)[C@@H]2[NH2+]CC[C@@H]3CCCC[C@H]23)CC1 ZINC000312554414 1186700788 /nfs/dbraw/zinc/70/07/88/1186700788.db2.gz UWAASNOTOBLNMB-AEGPPILISA-N 2 0 279.428 1.365 10 0 CDAERP Cc1c(C(=O)N2CCC([NH+](C)C)CC2)ccc2c[nH+]cn21 ZINC001771642816 1186821108 /nfs/dbraw/zinc/82/11/08/1186821108.db2.gz KAZCBRMZTKZCCD-UHFFFAOYSA-N 2 0 286.379 1.809 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCC(C)(C)[NH+](C)C)CC[N@@H+]1C ZINC000344112824 1164340124 /nfs/dbraw/zinc/34/01/24/1164340124.db2.gz ANBDEMZIEVTBIU-RYUDHWBXSA-N 2 0 255.406 1.173 10 0 CDAERP CN(CCCC[NH+](C)C)C(=O)c1ccc(C[NH+](C)C)nc1 ZINC001629730309 1166160115 /nfs/dbraw/zinc/16/01/15/1166160115.db2.gz UHOPNGTXABFYCY-UHFFFAOYSA-N 2 0 292.427 1.557 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@@H]1CCCC[C@@H]1C[NH2+]CCF ZINC001569175052 1167555223 /nfs/dbraw/zinc/55/52/23/1167555223.db2.gz ORMXPSKADGOVFV-ZIAGYGMSSA-N 2 0 285.407 1.316 10 0 CDAERP CCCCC[N@H+](C)CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001566454482 1168283121 /nfs/dbraw/zinc/28/31/21/1168283121.db2.gz XISSNJNLZWHQEW-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP CC[N@@H+](CC=C(C)C)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001566575091 1168342602 /nfs/dbraw/zinc/34/26/02/1168342602.db2.gz UQBOXUOVPWMCDA-HNNXBMFYSA-N 2 0 281.444 1.733 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CCN1C/C=C/Cl ZINC001483657084 912361911 /nfs/dbraw/zinc/36/19/11/912361911.db2.gz BRFBKYDQVDQRGR-DHSKRYKKSA-N 2 0 299.846 1.804 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001567048036 1168531715 /nfs/dbraw/zinc/53/17/15/1168531715.db2.gz NVGYHQDUJSKVMY-CHWSQXEVSA-N 2 0 269.433 1.469 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1C[C@@H](C)CC ZINC001483695579 912876387 /nfs/dbraw/zinc/87/63/87/912876387.db2.gz IPOVMIKQHQUZKH-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001483737763 913377719 /nfs/dbraw/zinc/37/77/19/913377719.db2.gz DCGGBANXCISJSL-CQSZACIVSA-N 2 0 281.444 1.899 10 0 CDAERP CC/C=C/CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001266583445 895456780 /nfs/dbraw/zinc/45/67/80/895456780.db2.gz XSOHTEMPYLGPBS-QVWFHYRISA-N 2 0 279.428 1.674 10 0 CDAERP CC[NH2+][C@H]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001266692820 895844249 /nfs/dbraw/zinc/84/42/49/895844249.db2.gz DUDSVJFZCFFWGM-FRRDWIJNSA-N 2 0 253.390 1.118 10 0 CDAERP CN(CC[NH2+]C[C@@H]1CCCCO1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001266744960 895955361 /nfs/dbraw/zinc/95/53/61/895955361.db2.gz YVRVAEABGNSYMD-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)C[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001266827932 896139723 /nfs/dbraw/zinc/13/97/23/896139723.db2.gz GVTYNXMSOXSOBI-CYBMUJFWSA-N 2 0 257.422 1.277 10 0 CDAERP CCCC[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001266987354 896505389 /nfs/dbraw/zinc/50/53/89/896505389.db2.gz OCEWEJYBSWMNRF-QWHCGFSZSA-N 2 0 257.422 1.467 10 0 CDAERP CC[C@H](C(=O)N(C)CC[NH2+]Cc1ccccc1)[NH+](C)C ZINC001266989504 896506880 /nfs/dbraw/zinc/50/68/80/896506880.db2.gz YYLRFXOFNIJDCV-OAHLLOKOSA-N 2 0 277.412 1.575 10 0 CDAERP C[NH+](C)CC1(C(=O)N2CC[C@H](C[NH2+]CCCF)C2)CC1 ZINC001267055235 896645722 /nfs/dbraw/zinc/64/57/22/896645722.db2.gz ICGPTPGTIYCSAT-CYBMUJFWSA-N 2 0 285.407 1.126 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H](C[NH2+]CCCF)C2)C1 ZINC001267064057 896667765 /nfs/dbraw/zinc/66/77/65/896667765.db2.gz CDRNPQJUMPPXOT-ZIAGYGMSSA-N 2 0 285.407 1.126 10 0 CDAERP CC(C)=CC[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001267193969 897101870 /nfs/dbraw/zinc/10/18/70/897101870.db2.gz HBTZRUVTTJOSGI-OAHLLOKOSA-N 2 0 281.444 1.873 10 0 CDAERP CC[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001267473429 898093872 /nfs/dbraw/zinc/09/38/72/898093872.db2.gz GEGSNBMZUUFWKO-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+](CCCF)C2)C1 ZINC001481111925 898879393 /nfs/dbraw/zinc/87/93/93/898879393.db2.gz LFYGETFLSLHNKP-UONOGXRCSA-N 2 0 285.407 1.126 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001481112977 898883544 /nfs/dbraw/zinc/88/35/44/898883544.db2.gz UWZALPGXMPHJKQ-ZIAGYGMSSA-N 2 0 267.417 1.176 10 0 CDAERP CCCC[NH2+][C@H](CC)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001267809372 899784278 /nfs/dbraw/zinc/78/42/78/899784278.db2.gz KJVGXOSQFLDBJY-ZIAGYGMSSA-N 2 0 269.433 1.755 10 0 CDAERP C[NH2+]C[C@H]1CCC[N@H+](C[C@H](O)CC2CCCC2)C1 ZINC000300072675 901885035 /nfs/dbraw/zinc/88/50/35/901885035.db2.gz TWCGURZBASHZDI-HUUCEWRRSA-N 2 0 254.418 1.859 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H](C)CC[NH2+]CC1CCC1)[NH+](C)C ZINC001268415227 902029446 /nfs/dbraw/zinc/02/94/46/902029446.db2.gz CFXCRWRULLZRFH-UKRRQHHQSA-N 2 0 283.460 1.857 10 0 CDAERP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(F)cn1 ZINC001481848926 902210060 /nfs/dbraw/zinc/21/00/60/902210060.db2.gz GLKNWJSYXTXBIC-CYBMUJFWSA-N 2 0 296.390 1.157 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCCCCF)C1 ZINC001269061177 903380889 /nfs/dbraw/zinc/38/08/89/903380889.db2.gz DWNGHMNYVZUVIB-ZDUSSCGKSA-N 2 0 273.396 1.268 10 0 CDAERP CC(C)[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001482282628 904562368 /nfs/dbraw/zinc/56/23/68/904562368.db2.gz BMRHZIKLEBLNKE-TZMCWYRMSA-N 2 0 267.417 1.173 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001270418979 904624652 /nfs/dbraw/zinc/62/46/52/904624652.db2.gz FDFWSDNKJKYPAJ-AWEZNQCLSA-N 2 0 281.444 1.779 10 0 CDAERP CCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001270495254 904679111 /nfs/dbraw/zinc/67/91/11/904679111.db2.gz ISJBOLXFWPBTDS-IHRRRGAJSA-N 2 0 269.433 1.469 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCCF)[C@H](C)C1 ZINC001482433954 905396273 /nfs/dbraw/zinc/39/62/73/905396273.db2.gz MJHNTRCQXDPUQL-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001270922791 905450018 /nfs/dbraw/zinc/45/00/18/905450018.db2.gz XABAPOAPWDIMNJ-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001567914689 1169069588 /nfs/dbraw/zinc/06/95/88/1169069588.db2.gz XAVSFPWMZVIFEG-QWHCGFSZSA-N 2 0 255.406 1.269 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CC2CC2)C1 ZINC001482663353 908135328 /nfs/dbraw/zinc/13/53/28/908135328.db2.gz PWQDLOKAVKVQMO-LSDHHAIUSA-N 2 0 279.428 1.271 10 0 CDAERP CCCC[NH2+]CC[C@H](C)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001482893692 908473591 /nfs/dbraw/zinc/47/35/91/908473591.db2.gz AGXSJRLFFHVXBL-HOCLYGCPSA-N 2 0 281.444 1.757 10 0 CDAERP CCN(CC[NH2+]CCF)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001482931806 908489346 /nfs/dbraw/zinc/48/93/46/908489346.db2.gz SBVVOOTVAOCPFX-HNNXBMFYSA-N 2 0 299.434 1.801 10 0 CDAERP CCC[NH2+]C/C=C\CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001483088653 909309956 /nfs/dbraw/zinc/30/99/56/909309956.db2.gz XENONAIEDFVOEA-WSROAFLRSA-N 2 0 255.406 1.245 10 0 CDAERP CCCCC[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001483093120 909321716 /nfs/dbraw/zinc/32/17/16/909321716.db2.gz NNRZFWGMXBIMFU-AFNCTOJWSA-N 2 0 267.417 1.390 10 0 CDAERP CC(C)[NH+]1CCC([C@H](C)NC(=O)CC[NH+](C)C)CC1 ZINC001279156084 909640770 /nfs/dbraw/zinc/64/07/70/909640770.db2.gz LEXWJGXYYSQCQZ-ZDUSSCGKSA-N 2 0 269.433 1.563 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C)C[NH2+]CCC(C)(C)C)[NH+](C)C ZINC001483166958 909904290 /nfs/dbraw/zinc/90/42/90/909904290.db2.gz CWDFVKKMYNXZGF-OLZOCXBDSA-N 2 0 271.449 1.857 10 0 CDAERP C[C@@H](C[NH2+]CCC(F)(F)F)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001483214784 910082982 /nfs/dbraw/zinc/08/29/82/910082982.db2.gz JIQIDZRBKBLZTD-UWVGGRQHSA-N 2 0 281.322 1.127 10 0 CDAERP Cc1cc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CC[NH+](C)C)sn1 ZINC001409409502 910377851 /nfs/dbraw/zinc/37/78/51/910377851.db2.gz OGNAZGCSNPUYBK-RYUDHWBXSA-N 2 0 298.456 1.386 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](CC[NH2+]CC2CC2)C1 ZINC001568050652 1169128162 /nfs/dbraw/zinc/12/81/62/1169128162.db2.gz RCASVEKUHPAKCV-JKSUJKDBSA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)C[NH2+]CCCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001483490186 911180888 /nfs/dbraw/zinc/18/08/88/911180888.db2.gz CTBLZSRHJXMCJG-CQSZACIVSA-N 2 0 271.449 1.667 10 0 CDAERP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H](O)C(C)(C)O)CC1 ZINC001364657543 921664309 /nfs/dbraw/zinc/66/43/09/921664309.db2.gz OKSTVJXTGGSTRX-CQSZACIVSA-N 2 0 272.433 1.170 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC1CC1 ZINC001484461989 915788798 /nfs/dbraw/zinc/78/87/98/915788798.db2.gz AGHYNNOBWWRLFB-HOTGVXAUSA-N 2 0 293.455 1.804 10 0 CDAERP CC(C)=CC[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001484898586 916252791 /nfs/dbraw/zinc/25/27/91/916252791.db2.gz YENLAOWTDJKMCF-KBPBESRZSA-N 2 0 267.417 1.341 10 0 CDAERP CC[C@@H](C(=O)NC1CC(C[NH2+]CCC(C)C)C1)[NH+](C)C ZINC001485103084 916502908 /nfs/dbraw/zinc/50/29/08/916502908.db2.gz DFGDXVNOVUUUOV-NRXISQOPSA-N 2 0 283.460 1.857 10 0 CDAERP C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)[NH2+]CCC1CC1 ZINC001485190700 916652052 /nfs/dbraw/zinc/65/20/52/916652052.db2.gz RBFFLVWJLHSSOZ-QWHCGFSZSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001485230628 916686728 /nfs/dbraw/zinc/68/67/28/916686728.db2.gz WRGMJIBSVOLARX-QWHCGFSZSA-N 2 0 257.422 1.465 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)C(C)C ZINC001485390209 916942038 /nfs/dbraw/zinc/94/20/38/916942038.db2.gz XVNOSPVSBZYTHV-UONOGXRCSA-N 2 0 269.433 1.706 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H](C[NH2+]C/C=C/Cl)C2)C1 ZINC001485701977 917204894 /nfs/dbraw/zinc/20/48/94/917204894.db2.gz DNPVGZHGUGFAKV-NKMJYUMPSA-N 2 0 299.846 1.565 10 0 CDAERP CC[C@H](C(=O)N1CC[C@H](C[N@H+](C)CCCF)C1)[NH+](C)C ZINC001366881928 918060272 /nfs/dbraw/zinc/06/02/72/918060272.db2.gz SOJWKCZMUTVIAH-ZIAGYGMSSA-N 2 0 287.423 1.467 10 0 CDAERP CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001366900105 918063375 /nfs/dbraw/zinc/06/33/75/918063375.db2.gz ACOQITOMHGQGAP-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP Cc1cc([C@@H]([NH3+])CC(=O)NCC[NH+](C)C)cc(Cl)n1 ZINC000831630634 936521916 /nfs/dbraw/zinc/52/19/16/936521916.db2.gz FOHXIKLXCUKCGE-NSHDSACASA-N 2 0 284.791 1.111 10 0 CDAERP COCCN(CC[NH+](C)C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001464996115 936665708 /nfs/dbraw/zinc/66/57/08/936665708.db2.gz RYFBCPYXNNSEOR-HUUCEWRRSA-N 2 0 299.459 1.143 10 0 CDAERP O=C(N[C@H]1CC[C@@H](C[NH2+]CCCF)C1)C12CC[NH+](CC1)C2 ZINC001486215749 920826886 /nfs/dbraw/zinc/82/68/86/920826886.db2.gz KXUCHZNAFJITBU-KGLIPLIRSA-N 2 0 297.418 1.316 10 0 CDAERP CC[C@@H](F)C[NH2+]C1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001486475658 921052506 /nfs/dbraw/zinc/05/25/06/921052506.db2.gz UYLKAXIOXUPQEV-WLYUNCDWSA-N 2 0 299.434 1.655 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nccs2)C1 ZINC001491073920 936852109 /nfs/dbraw/zinc/85/21/09/936852109.db2.gz YTWQCIVYCQTNLE-TXEJJXNPSA-N 2 0 296.440 1.222 10 0 CDAERP CCOCC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000923363991 923778609 /nfs/dbraw/zinc/77/86/09/923778609.db2.gz HJIGBHACDYNWAI-SOUVJXGZSA-N 2 0 270.417 1.238 10 0 CDAERP CC(C)[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001568369381 1169263880 /nfs/dbraw/zinc/26/38/80/1169263880.db2.gz JWUPMHONXKFJJL-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCOCC)[C@H](C)C1 ZINC001568368425 1169264371 /nfs/dbraw/zinc/26/43/71/1169264371.db2.gz FZHTWENYQWGADN-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@@H](CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CCC1CC1 ZINC001410436635 925672855 /nfs/dbraw/zinc/67/28/55/925672855.db2.gz NPNWQPIKGCJLCY-KBPBESRZSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)CC[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001442404578 937078059 /nfs/dbraw/zinc/07/80/59/937078059.db2.gz LVUWEQUMUTVQKC-OAHLLOKOSA-N 2 0 283.460 1.953 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCC(C)(C)C)C2)C1 ZINC001488879393 926748294 /nfs/dbraw/zinc/74/82/94/926748294.db2.gz YMPVPUFRKFBFGA-KKUMJFAQSA-N 2 0 295.471 1.859 10 0 CDAERP COCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001489227127 926847886 /nfs/dbraw/zinc/84/78/86/926847886.db2.gz FMRSQNIDXGDRQE-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP Cc1ncc(C[N@@H+](C)CCCNC(=O)CC[NH+](C)C)s1 ZINC001490245517 927051092 /nfs/dbraw/zinc/05/10/92/927051092.db2.gz ZDAHWQHBZNVTFS-UHFFFAOYSA-N 2 0 298.456 1.341 10 0 CDAERP CON(C)C(=O)CCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000799143612 937379112 /nfs/dbraw/zinc/37/91/12/937379112.db2.gz QCOUEEQAGNVHGG-DZGCQCFKSA-N 2 0 295.427 1.345 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]CCCF)[C@@H](C)C1 ZINC001274298539 931488912 /nfs/dbraw/zinc/48/89/12/931488912.db2.gz OPVFPDVZQMZZHT-STQMWFEESA-N 2 0 273.396 1.123 10 0 CDAERP CC[C@@H](C(=O)NC/C=C\C[NH2+]C[C@@H]1CCCCO1)[NH+](C)C ZINC001274369047 931494512 /nfs/dbraw/zinc/49/45/12/931494512.db2.gz OYAGTHREEDGAAB-BEWKBBBFSA-N 2 0 297.443 1.158 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001274991717 931629078 /nfs/dbraw/zinc/62/90/78/931629078.db2.gz MWPBWGWYZRIYFC-ZIAGYGMSSA-N 2 0 271.449 1.713 10 0 CDAERP COCCC[NH2+][C@H](C)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001275432790 931790819 /nfs/dbraw/zinc/79/08/19/931790819.db2.gz FRWCXBHBOUQMKG-KGLIPLIRSA-N 2 0 297.443 1.134 10 0 CDAERP CC(C)C[NH2+]CCCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001276053510 932477336 /nfs/dbraw/zinc/47/73/36/932477336.db2.gz ZJXQSPDDSFRHJL-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP [NH3+][C@H]1C[C@H]([NH2+]CCOc2ccc(Cl)cn2)C12CCC2 ZINC000925588037 932910172 /nfs/dbraw/zinc/91/01/72/932910172.db2.gz MLBGCUPAEMKVNI-RYUDHWBXSA-N 2 0 281.787 1.973 10 0 CDAERP C[N@@H+]1CC[C@]2(CC[NH+](CCCCCCCO)C2)C1 ZINC000795320628 934798467 /nfs/dbraw/zinc/79/84/67/934798467.db2.gz CRWHBXQTWJEOOS-HNNXBMFYSA-N 2 0 254.418 1.957 10 0 CDAERP C[C@@H](CN1CCOCC1)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC001412990788 935148635 /nfs/dbraw/zinc/14/86/35/935148635.db2.gz GAYPUTVNWCUEHI-DLBZAZTESA-N 2 0 295.471 1.372 10 0 CDAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CCF ZINC001568631150 1169407367 /nfs/dbraw/zinc/40/73/67/1169407367.db2.gz RTLGPQIAYHJWTQ-OLZOCXBDSA-N 2 0 273.396 1.313 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)C1 ZINC001413184993 935934212 /nfs/dbraw/zinc/93/42/12/935934212.db2.gz GHXODJWTUIEFNH-CAOSSQGBSA-N 2 0 293.455 1.850 10 0 CDAERP C[C@@H](CC[NH2+]CCCF)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001568632972 1169409238 /nfs/dbraw/zinc/40/92/38/1169409238.db2.gz USNTWXLFEBNDQC-GXTWGEPZSA-N 2 0 285.407 1.172 10 0 CDAERP CC[NH+]1CCC(C[NH2+]CCCS(=O)(=O)CC)CC1 ZINC000086974189 940151606 /nfs/dbraw/zinc/15/16/06/940151606.db2.gz XOZYLBXWOISLCE-UHFFFAOYSA-N 2 0 276.446 1.133 10 0 CDAERP C[C@@H]1CC[C@H]([NH2+]CCC2(C[NH3+])CC2)[C@@H](n2cncn2)C1 ZINC001649860050 1169442394 /nfs/dbraw/zinc/44/23/94/1169442394.db2.gz ABWNYCNTMIGKAL-RDBSUJKOSA-N 2 0 277.416 1.726 10 0 CDAERP Cc1ccc(C(=O)NCC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000405263263 940978246 /nfs/dbraw/zinc/97/82/46/940978246.db2.gz PZLMRQPISROWCG-HUUCEWRRSA-N 2 0 287.407 1.584 10 0 CDAERP CCN1CC[C@@H]1C(=O)NC[C@@H](CC(C)C)[NH+](CC)CC ZINC001362044487 970812150 /nfs/dbraw/zinc/81/21/50/970812150.db2.gz YVXDADWADKHXMD-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP CCN(CC[NH2+]Cc1cccc(C)c1)C(=O)CC[NH+](C)C ZINC001568772303 1169468989 /nfs/dbraw/zinc/46/89/89/1169468989.db2.gz PAALWGLIJKQRPU-UHFFFAOYSA-N 2 0 291.439 1.885 10 0 CDAERP CCN(CC[NH2+]CCC1CC1)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001568776068 1169471206 /nfs/dbraw/zinc/47/12/06/1169471206.db2.gz VRKSMOAYYYGZMN-AWEZNQCLSA-N 2 0 281.444 1.566 10 0 CDAERP CC[N@H+]1CC=C(CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001279573568 942396000 /nfs/dbraw/zinc/39/60/00/942396000.db2.gz HFOZPQVCYPBWSN-UHFFFAOYSA-N 2 0 265.401 1.239 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1([NH2+]CCCF)CCC1 ZINC001280485376 942452785 /nfs/dbraw/zinc/45/27/85/942452785.db2.gz LAFMOCCTINWPPH-AWEZNQCLSA-N 2 0 299.434 1.849 10 0 CDAERP CC(C)=CC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001280757939 942483647 /nfs/dbraw/zinc/48/36/47/942483647.db2.gz YMJZVIKWYVNEBU-OAHLLOKOSA-N 2 0 281.444 1.875 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC1CC(C[NH2+]CCCF)C1 ZINC001282013320 942644058 /nfs/dbraw/zinc/64/40/58/942644058.db2.gz DGTRHRAPSYVLND-NRXISQOPSA-N 2 0 299.434 1.705 10 0 CDAERP CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)[C@@H]1C ZINC001283940159 943032095 /nfs/dbraw/zinc/03/20/95/943032095.db2.gz PGFSEUJXDBOWOO-CABCVRRESA-N 2 0 281.444 1.851 10 0 CDAERP CC(C)[NH2+]CCOCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001284870036 943267907 /nfs/dbraw/zinc/26/79/07/943267907.db2.gz LUNNAJDSPFJBIK-UHFFFAOYSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)=CC[NH+]1CC[C@H]1CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001263812206 943982392 /nfs/dbraw/zinc/98/23/92/943982392.db2.gz JGGFUMWHYGJHKD-HOTGVXAUSA-N 2 0 293.455 1.827 10 0 CDAERP CC/C=C/CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001264410318 944129143 /nfs/dbraw/zinc/12/91/43/944129143.db2.gz MUFARGOSKROUNL-XWYFBGFKSA-N 2 0 293.455 1.779 10 0 CDAERP CC(C)[NH2+][C@H]1CCCCCN(C(=O)CC[NH+](C)C)C1 ZINC001264682102 944162506 /nfs/dbraw/zinc/16/25/06/944162506.db2.gz QFYGLJXGPKQKAO-AWEZNQCLSA-N 2 0 269.433 1.707 10 0 CDAERP CC[N@H+](CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C1CC1 ZINC001265184351 944264669 /nfs/dbraw/zinc/26/46/69/944264669.db2.gz ZIMWAYTXSYUNLU-KBPBESRZSA-N 2 0 281.444 1.850 10 0 CDAERP CC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001265436529 944387041 /nfs/dbraw/zinc/38/70/41/944387041.db2.gz JNVMXHXMEKDJPS-PRQMKSPXSA-N 2 0 281.444 1.873 10 0 CDAERP CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CCF)[NH+](C)C ZINC001265681444 944467062 /nfs/dbraw/zinc/46/70/62/944467062.db2.gz AJJQEYOKPQIDTA-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP CC/C=C\CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001265809021 944516883 /nfs/dbraw/zinc/51/68/83/944516883.db2.gz PVCCTGXNDVPHCD-MEWZEZIVSA-N 2 0 267.417 1.531 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]CC[C@@H](C)F ZINC001265870001 944549011 /nfs/dbraw/zinc/54/90/11/944549011.db2.gz HKDJWWRHWHQBKC-NEPJUHHUSA-N 2 0 261.385 1.169 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001265923430 944574441 /nfs/dbraw/zinc/57/44/41/944574441.db2.gz PHCCYFTXZQTUPX-JKSUJKDBSA-N 2 0 293.455 1.851 10 0 CDAERP C[N@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)CC1CC1 ZINC001265954828 944594120 /nfs/dbraw/zinc/59/41/20/944594120.db2.gz XNCUYXZAVHFCDD-CQSZACIVSA-N 2 0 267.417 1.176 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCCC(=O)N(C)C)[C@H](C)C1 ZINC001261544054 946166832 /nfs/dbraw/zinc/16/68/32/946166832.db2.gz FQCQIQYWASBEPJ-ZIAGYGMSSA-N 2 0 269.433 1.517 10 0 CDAERP CC[N@@H+]1CCC[C@H](CN[C@@H]2C[NH+]3C[C@@H]2CCC3)C1 ZINC001262198161 946514450 /nfs/dbraw/zinc/51/44/50/946514450.db2.gz HETWFJRXMHYXFP-QLFBSQMISA-N 2 0 251.418 1.402 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CCC2)[C@@H]1C)[NH+](C)C ZINC001479717991 971380763 /nfs/dbraw/zinc/38/07/63/971380763.db2.gz NZEIXZWRMUPYRH-SNPRPXQTSA-N 2 0 281.444 1.706 10 0 CDAERP CC[N@H+](C)CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001479778328 971414388 /nfs/dbraw/zinc/41/43/88/971414388.db2.gz SKUBJFGFCZTEBE-UHFFFAOYSA-N 2 0 267.417 1.320 10 0 CDAERP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)C[C@@H]21 ZINC001362601864 971444386 /nfs/dbraw/zinc/44/43/86/971444386.db2.gz MWBLMGVKFZRQEW-TUVASFSCSA-N 2 0 277.412 1.166 10 0 CDAERP CC(C)=CC[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001479879709 971466519 /nfs/dbraw/zinc/46/65/19/971466519.db2.gz HVUYRCZZVCXQNR-OAHLLOKOSA-N 2 0 293.455 1.875 10 0 CDAERP CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001480022322 971542239 /nfs/dbraw/zinc/54/22/39/971542239.db2.gz DSHJFXVNKWRTHB-HZPDHXFCSA-N 2 0 293.455 1.898 10 0 CDAERP C[NH+](C)C1(C(=O)NC[C@@H]([NH2+]CCCF)C2CC2)CCC1 ZINC001480024579 971543115 /nfs/dbraw/zinc/54/31/15/971543115.db2.gz UZVZROMOORCINM-CYBMUJFWSA-N 2 0 285.407 1.315 10 0 CDAERP C[N@@H+]1CCC[C@@H](CCNC(=O)CC[NH+]2CC[C@H](F)C2)C1 ZINC001362709446 971549857 /nfs/dbraw/zinc/54/98/57/971549857.db2.gz ZDXHVNAITDEBHV-KBPBESRZSA-N 2 0 285.407 1.268 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001480155521 971606320 /nfs/dbraw/zinc/60/63/20/971606320.db2.gz VCTACWJNTHXTKB-VGWMRTNUSA-N 2 0 295.471 2.000 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC=C(C)C)C1)[NH+](C)C ZINC001480158700 971607594 /nfs/dbraw/zinc/60/75/94/971607594.db2.gz XXFAWRWUFPHKCU-IHRRRGAJSA-N 2 0 267.417 1.530 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ocnc2C)C1 ZINC001480168729 971611124 /nfs/dbraw/zinc/61/11/24/971611124.db2.gz WKEBSDLQWVNGBI-JOCQHMNTSA-N 2 0 294.399 1.062 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001480485828 971752239 /nfs/dbraw/zinc/75/22/39/971752239.db2.gz GUBHSFQNDPKOKR-HNNXBMFYSA-N 2 0 293.455 1.923 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCC2CC2)C1 ZINC001480650870 971825178 /nfs/dbraw/zinc/82/51/78/971825178.db2.gz GNWLRVUSIFTWQQ-CVEARBPZSA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CCF ZINC001480763360 971870294 /nfs/dbraw/zinc/87/02/94/971870294.db2.gz IAVGQEIAHBLWRI-CHWSQXEVSA-N 2 0 273.396 1.313 10 0 CDAERP CC[N@@H+]1CC[C@](C)(NC(=O)CCCC[NH+](C)C)C1 ZINC001324670004 953504780 /nfs/dbraw/zinc/50/47/80/953504780.db2.gz UCSHMCDHAHSJLJ-AWEZNQCLSA-N 2 0 255.406 1.319 10 0 CDAERP CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001324770792 953567338 /nfs/dbraw/zinc/56/73/38/953567338.db2.gz KYKOPZVCOZMPRF-GOEBONIOSA-N 2 0 281.444 1.709 10 0 CDAERP O[C@H]1CCCC[C@@H]1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001363208295 971979569 /nfs/dbraw/zinc/97/95/69/971979569.db2.gz UDGSRWDBECIQBL-ZBFHGGJFSA-N 2 0 275.396 1.755 10 0 CDAERP CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001316652508 954299109 /nfs/dbraw/zinc/29/91/09/954299109.db2.gz KUVIKLBCAMEOOV-QWHCGFSZSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@H]1CC[C@H]1NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001364294756 954433766 /nfs/dbraw/zinc/43/37/66/954433766.db2.gz WXWXQBQMZHVHRK-GBJTYRQASA-N 2 0 296.459 1.166 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCO[C@@H](C[NH2+]CCC(C)C)C1 ZINC001327066523 954687155 /nfs/dbraw/zinc/68/71/55/954687155.db2.gz XDKMXAIDFZZELY-HNNXBMFYSA-N 2 0 299.459 1.191 10 0 CDAERP CCC1([NH2+]CCOC)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001327473773 954896977 /nfs/dbraw/zinc/89/69/77/954896977.db2.gz DIFQIAYXRNKYFL-UHFFFAOYSA-N 2 0 299.459 1.335 10 0 CDAERP CCC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@@H]([NH3+])C(C)C ZINC001327612439 954961982 /nfs/dbraw/zinc/96/19/82/954961982.db2.gz DBEGHYZLRZWHSQ-KGLIPLIRSA-N 2 0 269.433 1.741 10 0 CDAERP CCCCCC[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](C)[C@H]2C1 ZINC001298201390 955129973 /nfs/dbraw/zinc/12/99/73/955129973.db2.gz UPUFERFKBTWSEL-CABCVRRESA-N 2 0 281.444 1.661 10 0 CDAERP COc1cccc(OCCN2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)c1 ZINC001363320955 972083640 /nfs/dbraw/zinc/08/36/40/972083640.db2.gz ZIRRJSFXAOBNJV-PBHICJAKSA-N 2 0 290.407 1.958 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001328450999 955298351 /nfs/dbraw/zinc/29/83/51/955298351.db2.gz BNDMWYNVEGPPID-STQMWFEESA-N 2 0 255.406 1.079 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001491645956 955342345 /nfs/dbraw/zinc/34/23/45/955342345.db2.gz MPLRFEIYAAEQFR-KBPBESRZSA-N 2 0 269.433 1.633 10 0 CDAERP CCOCCC[NH2+]CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001493613740 972089567 /nfs/dbraw/zinc/08/95/67/972089567.db2.gz UYPJZFIAJXUHCF-UHFFFAOYSA-N 2 0 297.443 1.089 10 0 CDAERP C[C@H]([NH2+]CCC1CC1)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001421525994 955392756 /nfs/dbraw/zinc/39/27/56/955392756.db2.gz OTWZUBVZMPKHKE-ZFWWWQNUSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)CCC[NH2+]CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001493682710 972099744 /nfs/dbraw/zinc/09/97/44/972099744.db2.gz ZFOTWGBJUAUBPJ-UHFFFAOYSA-N 2 0 283.460 1.812 10 0 CDAERP O=C(N1CC[C@H](C[NH2+]C/C=C\Cl)C1)C12CC[NH+](CC1)C2 ZINC001491847765 955467621 /nfs/dbraw/zinc/46/76/21/955467621.db2.gz LHHGTHLHBOEBDK-RFMMKKFCSA-N 2 0 297.830 1.273 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](C[NH2+]CCC3CC3)C2)C1 ZINC001491856537 955472200 /nfs/dbraw/zinc/47/22/00/955472200.db2.gz NOCMQFSRDUQLFM-GJZGRUSLSA-N 2 0 279.428 1.176 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@H](C[NH2+]CCCF)C1 ZINC001491812670 955477369 /nfs/dbraw/zinc/47/73/69/955477369.db2.gz QMRRQRLOHYNLAL-CABCVRRESA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001421751382 955524062 /nfs/dbraw/zinc/52/40/62/955524062.db2.gz UVRQDWCOGMXTIE-CQSZACIVSA-N 2 0 299.459 1.095 10 0 CDAERP CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CCC1 ZINC001421773214 955535873 /nfs/dbraw/zinc/53/58/73/955535873.db2.gz MJPMGJZKOAHRTG-KGLIPLIRSA-N 2 0 279.428 1.652 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001492044678 955593747 /nfs/dbraw/zinc/59/37/47/955593747.db2.gz WGSQYXKQWFYDIS-HUUCEWRRSA-N 2 0 281.444 1.921 10 0 CDAERP CC[C@H](F)C[NH+]1CC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001421854327 955596841 /nfs/dbraw/zinc/59/68/41/955596841.db2.gz YLVZOOYQLWSUPA-AWEZNQCLSA-N 2 0 299.434 1.611 10 0 CDAERP C[C@H](C[NH2+]CC1CCC1)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001421898764 955639945 /nfs/dbraw/zinc/63/99/45/955639945.db2.gz FSAFNDRMPCQXIV-CZUORRHYSA-N 2 0 293.455 1.565 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CCF ZINC001492092518 955650114 /nfs/dbraw/zinc/65/01/14/955650114.db2.gz UJHTWAAWNXRSNI-KGLIPLIRSA-N 2 0 287.423 1.703 10 0 CDAERP C[C@H](F)CC[NH2+]CCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001493805964 972117190 /nfs/dbraw/zinc/11/71/90/972117190.db2.gz CDERKMWHNJUERJ-AWEZNQCLSA-N 2 0 287.423 1.659 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)C[NH+](C)[C@@H]1CCC[C@H]1O ZINC001363373891 972121823 /nfs/dbraw/zinc/12/18/23/972121823.db2.gz IUDAHOZHGDROOC-RBSFLKMASA-N 2 0 299.459 1.068 10 0 CDAERP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)CC[NH+]1CC[C@@H](F)C1 ZINC001363379479 972126169 /nfs/dbraw/zinc/12/61/69/972126169.db2.gz GKLIFVYKJXYRDJ-HZSPNIEDSA-N 2 0 283.391 1.115 10 0 CDAERP COCC[NH2+][C@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001317277309 956017070 /nfs/dbraw/zinc/01/70/70/956017070.db2.gz RLBARZKROGIWTR-CYBMUJFWSA-N 2 0 293.411 1.103 10 0 CDAERP CC/C=C/CC[N@H+](C)[C@@H](C)CNC(=O)Cn1ccnc1 ZINC001329627451 956030949 /nfs/dbraw/zinc/03/09/49/956030949.db2.gz GOVOAEBKCLDGAZ-GJBLVYBDSA-N 2 0 278.400 1.676 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]([NH3+])C1CCCCC1 ZINC001329943260 956194006 /nfs/dbraw/zinc/19/40/06/956194006.db2.gz AWSUXLDWCIZOPP-OLZOCXBDSA-N 2 0 255.406 1.384 10 0 CDAERP C[C@@H](F)CC[NH+]1CC([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001422761183 956315278 /nfs/dbraw/zinc/31/52/78/956315278.db2.gz MZYOTWADVUQRSJ-CHWSQXEVSA-N 2 0 285.407 1.267 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N1CC[N@H+](C)[C@H](C(C)(C)C)C1 ZINC001363465131 972186907 /nfs/dbraw/zinc/18/69/07/972186907.db2.gz URQFWKDEASHCIZ-KBPBESRZSA-N 2 0 283.460 1.763 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001423004755 956502747 /nfs/dbraw/zinc/50/27/47/956502747.db2.gz KUFCMIROKWRLKX-CVEARBPZSA-N 2 0 293.455 1.898 10 0 CDAERP CC[C@H](C)C[NH2+]C1(CNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001423232348 956680311 /nfs/dbraw/zinc/68/03/11/956680311.db2.gz WELUTIYTJYDHAR-ZDUSSCGKSA-N 2 0 281.444 1.755 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]C/C=C\Cl ZINC001366370879 956777007 /nfs/dbraw/zinc/77/70/07/956777007.db2.gz YGHXVEZGHIRBNW-YVNFWLBFSA-N 2 0 287.835 1.708 10 0 CDAERP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccsc1 ZINC001366510722 956894733 /nfs/dbraw/zinc/89/47/33/956894733.db2.gz QOBGWIWIRRGCDW-CYBMUJFWSA-N 2 0 295.452 1.828 10 0 CDAERP CC(C)[NH2+][C@H](C)[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001329201614 956954286 /nfs/dbraw/zinc/95/42/86/956954286.db2.gz DHEQYULRZKDZOA-ZIAGYGMSSA-N 2 0 269.433 1.754 10 0 CDAERP CC[N@H+](CCCNC(=O)C[C@@H]1CC[NH+](C)C1)CC1CC1 ZINC001316907688 957116424 /nfs/dbraw/zinc/11/64/24/957116424.db2.gz QFVVDYJFDGMXNH-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP O=C(C[NH+]1CCCC1)NCCC[N@@H+](C/C=C\Cl)C1CC1 ZINC001316926487 957130090 /nfs/dbraw/zinc/13/00/90/957130090.db2.gz CBUSEKVABVLMOZ-CLTKARDFSA-N 2 0 299.846 1.805 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001317125921 957290280 /nfs/dbraw/zinc/29/02/80/957290280.db2.gz FUVOQXSYUQCERP-BETUJISGSA-N 2 0 253.390 1.119 10 0 CDAERP COC[C@H](C)[NH2+]CC(C)(C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001424902395 957402175 /nfs/dbraw/zinc/40/21/75/957402175.db2.gz UHENWTASHLLULZ-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC1CC1 ZINC001424935820 957414534 /nfs/dbraw/zinc/41/45/34/957414534.db2.gz GHVBXDOSXBDXQN-HIFRSBDPSA-N 2 0 281.444 1.706 10 0 CDAERP C[C@@H](F)CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001425302860 957509383 /nfs/dbraw/zinc/50/93/83/957509383.db2.gz GMEYSCQILGDGLO-CHWSQXEVSA-N 2 0 287.423 1.513 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@@H]2C[NH+](CCF)C[C@@H]2C1 ZINC001425385919 957524837 /nfs/dbraw/zinc/52/48/37/957524837.db2.gz WOGXNZYAAGJBPG-QLFBSQMISA-N 2 0 299.434 1.513 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC(C)C)CC[N@@H+]1C ZINC001425581903 957574056 /nfs/dbraw/zinc/57/40/56/957574056.db2.gz WWLCGGCNQSCPQK-SOUVJXGZSA-N 2 0 283.460 1.809 10 0 CDAERP CCC(CC)C[NH+]1CC(NC(=O)CC[NH+](C)C)C1 ZINC001318059192 957891512 /nfs/dbraw/zinc/89/15/12/957891512.db2.gz GUQAUQANKJJFJI-UHFFFAOYSA-N 2 0 255.406 1.175 10 0 CDAERP CC(C)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001367449020 958020314 /nfs/dbraw/zinc/02/03/14/958020314.db2.gz PJYTXFPELSZJHR-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[NH2+][C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)C ZINC001367482198 958043515 /nfs/dbraw/zinc/04/35/15/958043515.db2.gz HLUGZUYZOATUEG-CABCVRRESA-N 2 0 283.460 1.715 10 0 CDAERP C[C@@H]1CCCC[C@]1(C[NH2+]CCF)NC(=O)C[NH+]1CCCC1 ZINC001318757847 958256757 /nfs/dbraw/zinc/25/67/57/958256757.db2.gz JSKPMJAAJXHAIO-GDBMZVCRSA-N 2 0 299.434 1.706 10 0 CDAERP CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001319069919 958363190 /nfs/dbraw/zinc/36/31/90/958363190.db2.gz QLUXPRLKMQNMJN-CVEARBPZSA-N 2 0 293.455 1.709 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N[C@H](C[NH2+]CC2CC2)C2CC2)C1 ZINC001367898035 958463449 /nfs/dbraw/zinc/46/34/49/958463449.db2.gz GLGCUZTWCBDWEP-SWLSCSKDSA-N 2 0 279.428 1.223 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001319388997 958529584 /nfs/dbraw/zinc/52/95/84/958529584.db2.gz GCYQUQXUDBJOGP-AWEZNQCLSA-N 2 0 281.444 1.757 10 0 CDAERP CC/C=C/CC[NH2+]C[C@@H](C)N(C)C(=O)Cc1cnc[nH]1 ZINC001319538028 958615411 /nfs/dbraw/zinc/61/54/11/958615411.db2.gz MUSLSHBCAACNCH-URWSZGRFSA-N 2 0 278.400 1.745 10 0 CDAERP C[C@@H](C[NH2+]CCCC1CCC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001319574798 958636710 /nfs/dbraw/zinc/63/67/10/958636710.db2.gz NMULWOWZTSGFSU-GOEBONIOSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001368238529 958726709 /nfs/dbraw/zinc/72/67/09/958726709.db2.gz HEEXJEXLXUPWTM-LLVKDONJSA-N 2 0 277.359 1.031 10 0 CDAERP CCCC[N@@H+]1CCC[C@](CO)(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001368381850 958801141 /nfs/dbraw/zinc/80/11/41/958801141.db2.gz TYFSRZNFLWOZQY-HOCLYGCPSA-N 2 0 299.459 1.070 10 0 CDAERP CC[C@@H](C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@H]1C)OC ZINC001368794295 959133078 /nfs/dbraw/zinc/13/30/78/959133078.db2.gz NYUCALGQCUNMDA-ILXRZTDVSA-N 2 0 299.459 1.332 10 0 CDAERP CC[C@H](F)C[NH2+]CC1CC(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001368823488 959154727 /nfs/dbraw/zinc/15/47/27/959154727.db2.gz SWTWHCSEBYKLEC-MOKVOYLWSA-N 2 0 299.434 1.561 10 0 CDAERP CC(C)OCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001320423111 959162822 /nfs/dbraw/zinc/16/28/22/959162822.db2.gz SZJCHKXVIXJHGS-RRFJBIMHSA-N 2 0 299.459 1.236 10 0 CDAERP Cc1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C)cc1 ZINC001368975703 959349157 /nfs/dbraw/zinc/34/91/57/959349157.db2.gz UQSRRQYKTRAWQA-HNNXBMFYSA-N 2 0 291.439 1.883 10 0 CDAERP CC(C)CC[NH+]1CC([C@@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001369087127 959450208 /nfs/dbraw/zinc/45/02/08/959450208.db2.gz FEPPOQKXZLJZSY-LSDHHAIUSA-N 2 0 295.471 1.811 10 0 CDAERP CC(C)[NH2+]C/C=C/CNC(=O)C1([NH+](C)C)CCC1 ZINC001321092182 959580110 /nfs/dbraw/zinc/58/01/10/959580110.db2.gz PFGCSFMKQRNEHK-AATRIKPKSA-N 2 0 253.390 1.141 10 0 CDAERP C[C@H](CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC1CCC1 ZINC001369260651 959584005 /nfs/dbraw/zinc/58/40/05/959584005.db2.gz PGBANNGROZCMKL-HIFRSBDPSA-N 2 0 281.444 1.707 10 0 CDAERP CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]21 ZINC001369422658 959680426 /nfs/dbraw/zinc/68/04/26/959680426.db2.gz PYUJMYUWHVXMCS-BZUAXINKSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](C(=O)N(C)CCC[NH2+]CCCO)[NH+]1CCCCCC1 ZINC001322725139 960305825 /nfs/dbraw/zinc/30/58/25/960305825.db2.gz VUIVNYAWGQNJGH-HNNXBMFYSA-N 2 0 299.459 1.071 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC001433617330 960457397 /nfs/dbraw/zinc/45/73/97/960457397.db2.gz QFAIVZMIBPNRTK-ZJIFWQFVSA-N 2 0 293.455 1.850 10 0 CDAERP CC[N@@H+]1CC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001323247420 960586609 /nfs/dbraw/zinc/58/66/09/960586609.db2.gz UYWDLVBAJRLGMB-STQMWFEESA-N 2 0 253.390 1.071 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001418678016 960892702 /nfs/dbraw/zinc/89/27/02/960892702.db2.gz YWJMBOCXNSKSPH-INIZCTEOSA-N 2 0 289.423 1.576 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1CC(C)C)C1CC1 ZINC001418764869 960995552 /nfs/dbraw/zinc/99/55/52/960995552.db2.gz YHNVCEKTNZWHFU-OAHLLOKOSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001324221877 961241257 /nfs/dbraw/zinc/24/12/57/961241257.db2.gz NJXDXNAJJPNNFF-CQSZACIVSA-N 2 0 267.417 1.485 10 0 CDAERP c1cc(N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)cc[nH+]1 ZINC001337710261 961375037 /nfs/dbraw/zinc/37/50/37/961375037.db2.gz SISAUECCTCILQJ-HUUCEWRRSA-N 2 0 261.369 1.559 10 0 CDAERP CCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](CCC(C)C)C1 ZINC001419148640 961431442 /nfs/dbraw/zinc/43/14/42/961431442.db2.gz PYOICRJGXSKGIY-OAHLLOKOSA-N 2 0 283.460 1.907 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CC1CCCC1)C1CC1 ZINC001419274098 961573062 /nfs/dbraw/zinc/57/30/62/961573062.db2.gz JECZYAVTXAOXFT-JKSUJKDBSA-N 2 0 293.455 1.755 10 0 CDAERP C[NH+](C)CC[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001419417643 961676802 /nfs/dbraw/zinc/67/68/02/961676802.db2.gz VYMQLOZIMSBTSN-BZUAXINKSA-N 2 0 295.471 1.907 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cscn2)C1 ZINC001419432082 961698215 /nfs/dbraw/zinc/69/82/15/961698215.db2.gz NQLFSHLHQYEAGT-HAQNSBGRSA-N 2 0 296.440 1.220 10 0 CDAERP CC[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001419752335 962066321 /nfs/dbraw/zinc/06/63/21/962066321.db2.gz UCEMHSOHYFPHTL-KGLIPLIRSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H](F)CC[NH2+][C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001419764912 962082588 /nfs/dbraw/zinc/08/25/88/962082588.db2.gz BVLCYEXIGNNTIQ-KGLIPLIRSA-N 2 0 299.434 1.705 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+]Cc1cc(C)ns1 ZINC001419879042 962191635 /nfs/dbraw/zinc/19/16/35/962191635.db2.gz CLXACOIWJNPCDC-LBPRGKRZSA-N 2 0 298.456 1.388 10 0 CDAERP CC(C)CC[NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001419932433 962253055 /nfs/dbraw/zinc/25/30/55/962253055.db2.gz AOSGPKRZPGZKJQ-HNNXBMFYSA-N 2 0 295.471 1.859 10 0 CDAERP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]C/C=C/Cl ZINC001420086220 962460789 /nfs/dbraw/zinc/46/07/89/962460789.db2.gz ZSNIHPBMBUAJBU-QAIORIGISA-N 2 0 287.835 1.564 10 0 CDAERP C[C@@H](CN(C)C/C=C/Cl)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001420567896 963072619 /nfs/dbraw/zinc/07/26/19/963072619.db2.gz KKLWJWXRGGBTDR-KPYDALDBSA-N 2 0 287.835 1.516 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001437725657 963146404 /nfs/dbraw/zinc/14/64/04/963146404.db2.gz VZUXMHXJZTWEIB-GJZGRUSLSA-N 2 0 295.471 1.812 10 0 CDAERP C[N@H+](CCF)C[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001437980162 963265548 /nfs/dbraw/zinc/26/55/48/963265548.db2.gz RTLLVDRCQACJBP-UKRRQHHQSA-N 2 0 297.418 1.078 10 0 CDAERP C[C@@H](F)CC[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001420966514 963388736 /nfs/dbraw/zinc/38/87/36/963388736.db2.gz ALIZKCUJCZKINI-CYBMUJFWSA-N 2 0 299.434 1.847 10 0 CDAERP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1scnc1C ZINC001438322488 963418589 /nfs/dbraw/zinc/41/85/89/963418589.db2.gz BEXGJGAGSVJGCG-LBPRGKRZSA-N 2 0 298.456 1.388 10 0 CDAERP C[C@@H](C[NH2+]C/C(Cl)=C/Cl)N(C)C(=O)CC[NH+](C)C ZINC001438676796 963522468 /nfs/dbraw/zinc/52/24/68/963522468.db2.gz ULMOJCZGDCNCID-QBQSQJOESA-N 2 0 296.242 1.694 10 0 CDAERP C[C@H](C[NH2+]CC1CCC1)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001438692490 963526742 /nfs/dbraw/zinc/52/67/42/963526742.db2.gz XWSUQVMRCGGZFT-UONOGXRCSA-N 2 0 281.444 1.565 10 0 CDAERP CN(CC[N@H+](C)CC1CC1)C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001438919398 963598663 /nfs/dbraw/zinc/59/86/63/963598663.db2.gz GJTHUKQMVXCBPI-CVEARBPZSA-N 2 0 293.455 1.804 10 0 CDAERP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)CCCF ZINC001439321129 963721492 /nfs/dbraw/zinc/72/14/92/963721492.db2.gz BVXKQGVVWKXYJR-UONOGXRCSA-N 2 0 287.423 1.655 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001439530385 963788406 /nfs/dbraw/zinc/78/84/06/963788406.db2.gz RQXOAQRUBZGHCL-DZGCQCFKSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)C[N@@H+]1CC[C@](C)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001439874345 963886464 /nfs/dbraw/zinc/88/64/64/963886464.db2.gz XAGXVXNCJKWRBE-HOCLYGCPSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001440349671 963995552 /nfs/dbraw/zinc/99/55/52/963995552.db2.gz IDUSNBPQFLDYRF-AVGNSLFASA-N 2 0 273.396 1.171 10 0 CDAERP C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)[NH2+]CC1CC1 ZINC001440825138 964198009 /nfs/dbraw/zinc/19/80/09/964198009.db2.gz CCVNBJUVYKDVGI-STQMWFEESA-N 2 0 283.460 1.857 10 0 CDAERP CC[NH2+][C@H](C)[C@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001440835207 964202873 /nfs/dbraw/zinc/20/28/73/964202873.db2.gz KZYHYYFQIFWMCM-KGLIPLIRSA-N 2 0 291.439 1.907 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)OC[C@@H]1CC[NH+](C)[C@@H]1C ZINC001343999494 964205370 /nfs/dbraw/zinc/20/53/70/964205370.db2.gz KZYXHHDZZYGXBL-RDBSUJKOSA-N 2 0 268.401 1.743 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)Cc1cccnc1 ZINC001440916990 964253885 /nfs/dbraw/zinc/25/38/85/964253885.db2.gz RMQWDDQVOFSKHJ-ZFWWWQNUSA-N 2 0 290.411 1.112 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)CCC1CCCC1 ZINC001441006297 964324555 /nfs/dbraw/zinc/32/45/55/964324555.db2.gz BLWMDOWWTJFRDC-GDBMZVCRSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1C[NH+](CCC2CC2)C1 ZINC001441202144 964418190 /nfs/dbraw/zinc/41/81/90/964418190.db2.gz HKZMBHOWMZSPKQ-HIFRSBDPSA-N 2 0 293.455 1.565 10 0 CDAERP CCC[N@@H+]1CCO[C@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001441227874 964427111 /nfs/dbraw/zinc/42/71/11/964427111.db2.gz OOPFDWNQAPVKQZ-MRXNPFEDSA-N 2 0 297.443 1.042 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[NH+](CCC2CC2)CC1(C)C ZINC001441276293 964446419 /nfs/dbraw/zinc/44/64/19/964446419.db2.gz QDEGJMNSHUNOQD-HNNXBMFYSA-N 2 0 295.471 1.953 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCF)[C@H]2C1 ZINC001441881569 964766751 /nfs/dbraw/zinc/76/67/51/964766751.db2.gz UORSBIRMPRHSSE-SOUVJXGZSA-N 2 0 299.434 1.514 10 0 CDAERP C[NH+](C)CCC(=O)NC1(C2CC[NH+](CCF)CC2)CC1 ZINC001442282079 964973713 /nfs/dbraw/zinc/97/37/13/964973713.db2.gz ZBKKBGVBEKNTJD-UHFFFAOYSA-N 2 0 285.407 1.268 10 0 CDAERP C[C@@H]([NH2+]CC1CC1)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001443124598 965361623 /nfs/dbraw/zinc/36/16/23/965361623.db2.gz PZUPPBYQGTZFGX-CYBMUJFWSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001443768044 965600479 /nfs/dbraw/zinc/60/04/79/965600479.db2.gz IXHKGNRMISAKMS-RBSFLKMASA-N 2 0 283.460 1.809 10 0 CDAERP CC[NH2+]C[C@@H](C)NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001445484158 966208694 /nfs/dbraw/zinc/20/86/94/966208694.db2.gz YQIOWGCOGKUEDX-UKRRQHHQSA-N 2 0 277.412 1.794 10 0 CDAERP C[C@H](CN(C)C/C=C/Cl)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001445850437 966364941 /nfs/dbraw/zinc/36/49/41/966364941.db2.gz HVMBYGJKMYVQRG-LOWFTVKWSA-N 2 0 287.835 1.517 10 0 CDAERP CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)C(C)C ZINC001447032465 966684906 /nfs/dbraw/zinc/68/49/06/966684906.db2.gz AWHDRNYWDQIYGI-HUUCEWRRSA-N 2 0 281.444 1.802 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)CCC(C)(C)C ZINC001448147221 967015471 /nfs/dbraw/zinc/01/54/71/967015471.db2.gz KYLCSBOREFZHIJ-KGLIPLIRSA-N 2 0 283.460 1.811 10 0 CDAERP CO[C@H](C)C[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001449323270 967433525 /nfs/dbraw/zinc/43/35/25/967433525.db2.gz PESFMUBMMAPMSJ-CHWSQXEVSA-N 2 0 287.448 1.094 10 0 CDAERP CC[NH+]1CCC(C2(NC(=O)C3(C[NH+](C)C)CC3)CC2)CC1 ZINC001449398997 967453308 /nfs/dbraw/zinc/45/33/08/967453308.db2.gz DHFMAJXVZWSFGG-UHFFFAOYSA-N 2 0 293.455 1.709 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)[NH2+]C(C)C)[NH+](CC)CC ZINC001480532844 968124993 /nfs/dbraw/zinc/12/49/93/968124993.db2.gz IQERUSRKWUZCAT-QWHCGFSZSA-N 2 0 257.422 1.610 10 0 CDAERP C[N@H+](CCCN1CC[NH+](C)CC1)CC1(O)CCCCCC1 ZINC001459888214 969458291 /nfs/dbraw/zinc/45/82/91/969458291.db2.gz YDBUHCNMYPGERN-UHFFFAOYSA-N 2 0 297.487 1.641 10 0 CDAERP CC[N@H+](C)[C@H]1CCN(C(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC001413895639 969671441 /nfs/dbraw/zinc/67/14/41/969671441.db2.gz RKCYRTZXEXNKQF-KGLIPLIRSA-N 2 0 296.459 1.595 10 0 CDAERP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H](O)C(C)(C)O ZINC001414014794 969847455 /nfs/dbraw/zinc/84/74/55/969847455.db2.gz GZIJKJWJJJJGGX-MRXNPFEDSA-N 2 0 294.439 1.702 10 0 CDAERP C[C@H](CNC(=O)CC[N@@H+]1CC[C@@H](F)C1)[NH+]1CCC[C@@H](C)C1 ZINC001361803166 970548357 /nfs/dbraw/zinc/54/83/57/970548357.db2.gz MARPIHKIMZSJLB-RBSFLKMASA-N 2 0 299.434 1.657 10 0 CDAERP COCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001371679142 972588892 /nfs/dbraw/zinc/58/88/92/972588892.db2.gz VIWYCSOYWAAVPC-HUUCEWRRSA-N 2 0 297.443 1.040 10 0 CDAERP CCC[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCCC1 ZINC001495962559 972721969 /nfs/dbraw/zinc/72/19/69/972721969.db2.gz HNAZQMLJPVSLTP-UHFFFAOYSA-N 2 0 267.417 1.511 10 0 CDAERP C[C@H](C[NH2+]CCOC1CCC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001496026828 972763247 /nfs/dbraw/zinc/76/32/47/972763247.db2.gz GGVQMHPTYUCXDH-HIFRSBDPSA-N 2 0 297.443 1.086 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CCC[NH+]1CCCF ZINC001372521455 972995221 /nfs/dbraw/zinc/99/52/21/972995221.db2.gz JXQHMSDUKAKAOR-CABCVRRESA-N 2 0 299.434 1.801 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+](CC3CCC3)C2)C1 ZINC001372658644 973071031 /nfs/dbraw/zinc/07/10/31/973071031.db2.gz HJDAZGJKUCSQMN-GOEBONIOSA-N 2 0 293.455 1.566 10 0 CDAERP CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@H+](CCF)C1)[NH+]1CCCC1 ZINC001372677150 973079709 /nfs/dbraw/zinc/07/97/09/973079709.db2.gz CWTQQOQSXOOOGT-GJZGRUSLSA-N 2 0 299.434 1.514 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC[NH+](C/C=C\Cl)C1 ZINC001372682443 973082137 /nfs/dbraw/zinc/08/21/37/973082137.db2.gz OHLOPSGHAUFFFL-AGLBCWCQSA-N 2 0 287.835 1.517 10 0 CDAERP C[C@H](CC[NH2+]CCCO)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001497189700 973235921 /nfs/dbraw/zinc/23/59/21/973235921.db2.gz YYRASLGZANIEIF-CQSZACIVSA-N 2 0 299.459 1.118 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCCF ZINC001373079074 973250952 /nfs/dbraw/zinc/25/09/52/973250952.db2.gz LNUWAPMKNNGPGM-OKILXGFUSA-N 2 0 285.407 1.361 10 0 CDAERP C[C@@H](CC[NH2+]C/C=C/Cl)NC(=O)C[NH+]1CCCC1 ZINC001497323560 973286429 /nfs/dbraw/zinc/28/64/29/973286429.db2.gz PQXQAYLAEUMTRH-FUEXJSSKSA-N 2 0 273.808 1.319 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)C[C@H]1CC[NH+]1CCC(C)C ZINC001417748868 973354992 /nfs/dbraw/zinc/35/49/92/973354992.db2.gz WDNOPWSDVCPIAL-OAHLLOKOSA-N 2 0 283.460 1.907 10 0 CDAERP C[NH+](C)CC1(C(=O)NC/C=C/C[NH2+]CCF)CCCCC1 ZINC001497642669 973445146 /nfs/dbraw/zinc/44/51/46/973445146.db2.gz WBONYMNUDQFCOP-VOTSOKGWSA-N 2 0 299.434 1.730 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCC[C@@H]2CCC[NH+](C)C2)CC[N@@H+]1C ZINC001417907205 973467056 /nfs/dbraw/zinc/46/70/56/973467056.db2.gz CWEQMLUCPFFQEP-KKUMJFAQSA-N 2 0 281.444 1.565 10 0 CDAERP C[NH+]1CCC(CC(=O)NC/C=C/C[NH2+]CCC2CC2)CC1 ZINC001497693706 973469594 /nfs/dbraw/zinc/46/95/94/973469594.db2.gz ZMEYTUAAYHIMLD-NSCUHMNNSA-N 2 0 293.455 1.780 10 0 CDAERP CC(C)C[NH2+]C/C=C\CNC(=O)C[NH+]1CCCC1 ZINC001497748906 973487046 /nfs/dbraw/zinc/48/70/46/973487046.db2.gz AKQCLUDLAUAKAH-ARJAWSKDSA-N 2 0 253.390 1.000 10 0 CDAERP CC[C@H](C(=O)NC[C@H](CC)[NH2+]Cc1conc1C)[NH+](C)C ZINC001373823466 973658644 /nfs/dbraw/zinc/65/86/44/973658644.db2.gz XGVZNFTYTCXZSI-UONOGXRCSA-N 2 0 296.415 1.308 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001418233814 973685137 /nfs/dbraw/zinc/68/51/37/973685137.db2.gz AZOLYYOWUZDZOM-TUVASFSCSA-N 2 0 281.444 1.563 10 0 CDAERP CCCC[NH2+]C[C@]1(C)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001569684176 1169965300 /nfs/dbraw/zinc/96/53/00/1169965300.db2.gz YEBDISHDDOZDRO-WBVHZDCISA-N 2 0 295.471 1.957 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccccc1F ZINC001418270201 973714031 /nfs/dbraw/zinc/71/40/31/973714031.db2.gz TUTBXUXLNWRYMO-GFCCVEGCSA-N 2 0 281.375 1.372 10 0 CDAERP C[C@@H](C[NH2+]CCCCCF)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001498190705 973732996 /nfs/dbraw/zinc/73/29/96/973732996.db2.gz SLWJHBKHQODSRO-QWHCGFSZSA-N 2 0 273.396 1.172 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]CCc1ccns1 ZINC001418314140 973745150 /nfs/dbraw/zinc/74/51/50/973745150.db2.gz RIGKDFUIOPZFMO-LBPRGKRZSA-N 2 0 298.456 1.120 10 0 CDAERP Cc1nc(C[NH2+][C@H](C)CCNC(=O)[C@H]2CCC[N@@H+]2C)co1 ZINC001418393578 973795420 /nfs/dbraw/zinc/79/54/20/973795420.db2.gz JHAVCBIMJIVKQQ-BXUZGUMPSA-N 2 0 294.399 1.062 10 0 CDAERP CCN1CC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001418470914 973876720 /nfs/dbraw/zinc/87/67/20/973876720.db2.gz HBOLZOCPTFQKFY-GJZGRUSLSA-N 2 0 279.428 1.604 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1cncs1 ZINC001374327677 973893361 /nfs/dbraw/zinc/89/33/61/973893361.db2.gz JRXCXDGIVYERNE-LBPRGKRZSA-N 2 0 298.456 1.420 10 0 CDAERP CN(CCC[NH2+]Cc1ccccc1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001498526263 973968682 /nfs/dbraw/zinc/96/86/82/973968682.db2.gz NVCFDYCJTOMGJQ-INIZCTEOSA-N 2 0 289.423 1.719 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001375532562 974415722 /nfs/dbraw/zinc/41/57/22/974415722.db2.gz ZHWCKMFOFIRENN-AIEDFZFUSA-N 2 0 299.434 1.559 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1C[C@H]([NH2+]CC2CC2)C1 ZINC001375537202 974416811 /nfs/dbraw/zinc/41/68/11/974416811.db2.gz OKGSRMZTYZAMEB-JYJNAYRXSA-N 2 0 293.455 1.755 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@@](C)(C[NH2+]CCF)C1 ZINC001500391143 974431032 /nfs/dbraw/zinc/43/10/32/974431032.db2.gz XCGXWQBESDQRTE-AWEZNQCLSA-N 2 0 273.396 1.126 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001375595663 974432733 /nfs/dbraw/zinc/43/27/33/974432733.db2.gz KDGCRDAPZHYELI-PMPSAXMXSA-N 2 0 295.471 1.811 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CCCO)[C@@H]1C)[NH+](CC)CC ZINC001375664064 974448242 /nfs/dbraw/zinc/44/82/42/974448242.db2.gz VJVOBIHMUMEOIX-QLFBSQMISA-N 2 0 299.459 1.068 10 0 CDAERP C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C[NH2+]CCF ZINC001501129659 974540069 /nfs/dbraw/zinc/54/00/69/974540069.db2.gz IRNXNGHKEWBBBH-UONOGXRCSA-N 2 0 299.434 1.514 10 0 CDAERP CC(C)[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001501606785 974605113 /nfs/dbraw/zinc/60/51/13/974605113.db2.gz CMOJDWSVFGONSH-JYJNAYRXSA-N 2 0 295.471 1.953 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]CCF)C1CC1 ZINC001376281243 974621899 /nfs/dbraw/zinc/62/18/99/974621899.db2.gz REOKTRPSMWTCNP-ZIAGYGMSSA-N 2 0 285.407 1.315 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001376521998 974680554 /nfs/dbraw/zinc/68/05/54/974680554.db2.gz BNJUAYSEOAJYTO-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP CC[C@H](F)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001376658045 974705413 /nfs/dbraw/zinc/70/54/13/974705413.db2.gz SDBKRNJIFCXIMX-AHDPXTMNSA-N 2 0 299.434 1.367 10 0 CDAERP CCCC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001502754339 974776040 /nfs/dbraw/zinc/77/60/40/974776040.db2.gz OXCTWAWZVOIYPK-UONOGXRCSA-N 2 0 279.428 1.319 10 0 CDAERP C[C@@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]C/C=C\Cl ZINC001377064050 974872291 /nfs/dbraw/zinc/87/22/91/974872291.db2.gz FAGZZPIVKJGWJB-NAFLWYGVSA-N 2 0 287.835 1.565 10 0 CDAERP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1nccs1 ZINC001377849007 975155401 /nfs/dbraw/zinc/15/54/01/975155401.db2.gz MDEISVURKYZNMO-QWRGUYRKSA-N 2 0 284.429 1.078 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1nccs1 ZINC001377871674 975162488 /nfs/dbraw/zinc/16/24/88/975162488.db2.gz KRIJWXXNUYYKKA-VXGBXAGGSA-N 2 0 298.456 1.468 10 0 CDAERP O=C(CCC[NH+]1CCCC1)NC[C@@H]1[C@H]2C[N@H+](CCF)C[C@H]21 ZINC001506830684 975229807 /nfs/dbraw/zinc/22/98/07/975229807.db2.gz PWQGONPKILCENK-QKDCVEJESA-N 2 0 297.418 1.126 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001506895654 975250135 /nfs/dbraw/zinc/25/01/35/975250135.db2.gz AZLGXLWQLSPWDL-KOMQPUFPSA-N 2 0 293.455 1.779 10 0 CDAERP CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001507113055 975340660 /nfs/dbraw/zinc/34/06/60/975340660.db2.gz MQVLUXLCQHSETP-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]C(C)C)[NH+](CC)CC ZINC001507121431 975345211 /nfs/dbraw/zinc/34/52/11/975345211.db2.gz ZIZDGECQJGAXPL-KBPBESRZSA-N 2 0 271.449 1.952 10 0 CDAERP CC[C@H](C(=O)N[C@@](C)(C[NH2+]CC(C)C)C1CC1)[NH+](C)C ZINC001378423934 975347830 /nfs/dbraw/zinc/34/78/30/975347830.db2.gz CIHJOCYXFJHOPB-ZBFHGGJFSA-N 2 0 283.460 1.857 10 0 CDAERP C[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1C[NH+](CCCF)C1 ZINC001378533895 975380254 /nfs/dbraw/zinc/38/02/54/975380254.db2.gz BGRGDQAMYFHNFL-QWHCGFSZSA-N 2 0 285.407 1.124 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CC2CCCC2)CN1C(=O)CC[NH+](C)C ZINC001507319876 975414391 /nfs/dbraw/zinc/41/43/91/975414391.db2.gz LJAPJVCONWHCSU-HIFRSBDPSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001507360328 975428572 /nfs/dbraw/zinc/42/85/72/975428572.db2.gz GOUWFJXSWLVRSH-HRCADAONSA-N 2 0 295.471 1.953 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CC[C@H](C)F)C1 ZINC001404676137 975456342 /nfs/dbraw/zinc/45/63/42/975456342.db2.gz XDMUEJFCFVAUOK-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CCC[N@H+](CC[C@H](C)F)C1)[NH+](C)C ZINC001404725458 975469664 /nfs/dbraw/zinc/46/96/64/975469664.db2.gz XKGKCARLJMNLSL-MELADBBJSA-N 2 0 287.423 1.655 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001401130531 975477622 /nfs/dbraw/zinc/47/76/22/975477622.db2.gz SHPUWYCZRKEBDL-KGLIPLIRSA-N 2 0 299.459 1.095 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H]2C[NH+](C(C)C)C[C@@H]2C1 ZINC001378787517 975492378 /nfs/dbraw/zinc/49/23/78/975492378.db2.gz RZINYDHDMATVAD-HRCADAONSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)C[C@@H](C)C[NH+]1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001404827117 975500995 /nfs/dbraw/zinc/50/09/95/975500995.db2.gz RVPRBGPDNGMKPV-HUUCEWRRSA-N 2 0 295.471 1.811 10 0 CDAERP CCC(CC)C[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001388646806 975533387 /nfs/dbraw/zinc/53/33/87/975533387.db2.gz LBBSFKWQGTYVHO-HNNXBMFYSA-N 2 0 283.460 1.907 10 0 CDAERP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001405110782 975629448 /nfs/dbraw/zinc/62/94/48/975629448.db2.gz IRZZQNMYTZFURA-INIZCTEOSA-N 2 0 289.423 1.671 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N(C)[C@H]1CC[N@H+](CC2CC2)C1 ZINC001405119437 975633394 /nfs/dbraw/zinc/63/33/94/975633394.db2.gz ILQHQXHTLJGMRC-LSDHHAIUSA-N 2 0 299.434 1.609 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]C(C)C ZINC001401574858 975705447 /nfs/dbraw/zinc/70/54/47/975705447.db2.gz AWMCVKMFCILWAE-GJZGRUSLSA-N 2 0 283.460 2.000 10 0 CDAERP Cc1ccccc1C[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001401636438 975754026 /nfs/dbraw/zinc/75/40/26/975754026.db2.gz CIBVCODBHCOMQX-CQSZACIVSA-N 2 0 277.412 1.541 10 0 CDAERP C[C@H](C[NH2+][C@H](C)c1cccc(F)c1)NC(=O)CC[NH+](C)C ZINC001401639594 975755525 /nfs/dbraw/zinc/75/55/25/975755525.db2.gz OFFZARULDDTQET-CHWSQXEVSA-N 2 0 295.402 1.933 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC001389387469 975799404 /nfs/dbraw/zinc/79/94/04/975799404.db2.gz HXDPMCQXSVFLLH-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001401703824 975814438 /nfs/dbraw/zinc/81/44/38/975814438.db2.gz CXOIPILSPLNEKH-GXTWGEPZSA-N 2 0 287.423 1.561 10 0 CDAERP CC[C@H](C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)OC ZINC001379417601 975831528 /nfs/dbraw/zinc/83/15/28/975831528.db2.gz VCHQRMQOVPIJIA-CBBWQLFWSA-N 2 0 299.459 1.236 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]([NH2+]C/C=C/Cl)C1CC1 ZINC001398434231 975982830 /nfs/dbraw/zinc/98/28/30/975982830.db2.gz JBHSYKIVNCDJTD-QDBLGGKGSA-N 2 0 273.808 1.175 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001389971229 976067910 /nfs/dbraw/zinc/06/79/10/976067910.db2.gz IZDUJEJZTLKOJC-SPWCGHHHSA-N 2 0 297.418 1.313 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC[C@H](C)F)C1 ZINC001389974266 976071004 /nfs/dbraw/zinc/07/10/04/976071004.db2.gz GKZQBRSEORLGBF-XQLPTFJDSA-N 2 0 299.434 1.846 10 0 CDAERP CC1CC(C[NH2+][C@H]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001398612521 976075990 /nfs/dbraw/zinc/07/59/90/976075990.db2.gz AMLKJDPSBYXREK-ZMYVRHLSSA-N 2 0 293.455 1.611 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H](C[NH2+]CC2CCC2)C1 ZINC001390103229 976119019 /nfs/dbraw/zinc/11/90/19/976119019.db2.gz ZMJKMYFTJUIENC-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001402130362 976136238 /nfs/dbraw/zinc/13/62/38/976136238.db2.gz JJMQZMHMJVWWFK-MRXNPFEDSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H](NC(=O)C[NH+]1CCCC1)[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC001398802268 976153540 /nfs/dbraw/zinc/15/35/40/976153540.db2.gz ZXHNMJLFJZAVBS-GOEBONIOSA-N 2 0 293.455 1.709 10 0 CDAERP Cc1ccccc1C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001398891172 976214616 /nfs/dbraw/zinc/21/46/16/976214616.db2.gz VVMFRZNHCGTYLP-HOCLYGCPSA-N 2 0 289.423 1.684 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccccc1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001406515621 976232538 /nfs/dbraw/zinc/23/25/38/976232538.db2.gz BACPJTCRMWJYCF-GJZGRUSLSA-N 2 0 289.423 1.623 10 0 CDAERP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC3CCCC3)CC2)CC[N@@H+]1C ZINC001380077775 976232762 /nfs/dbraw/zinc/23/27/62/976232762.db2.gz BLXKXOBZGGTPPE-UKRRQHHQSA-N 2 0 293.455 1.755 10 0 CDAERP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCC1CC1 ZINC001398927890 976247300 /nfs/dbraw/zinc/24/73/00/976247300.db2.gz SJLHJOUZMIBXKU-HIFRSBDPSA-N 2 0 281.444 1.754 10 0 CDAERP CCC[NH+]1CCC([C@H](C)NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001380145088 976261425 /nfs/dbraw/zinc/26/14/25/976261425.db2.gz KFFGWPNENLXMKP-AWEZNQCLSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCCCO2)C1 ZINC001399225412 976388036 /nfs/dbraw/zinc/38/80/36/976388036.db2.gz ONQZZHSUVRUUEV-GJZGRUSLSA-N 2 0 297.443 1.086 10 0 CDAERP C[C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccsc1 ZINC001390649472 976416099 /nfs/dbraw/zinc/41/60/99/976416099.db2.gz VNUWCTUXJNGYRR-TZMCWYRMSA-N 2 0 295.452 1.827 10 0 CDAERP CC[C@H](C[NH2+]C[C@]1(C)CCN(C(=O)CC[NH+](C)C)C1)OC ZINC001380420043 976416256 /nfs/dbraw/zinc/41/62/56/976416256.db2.gz ZTFRYCFBDFJNMH-ZBFHGGJFSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@H](F)CC[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001406957858 976492160 /nfs/dbraw/zinc/49/21/60/976492160.db2.gz MFGZAZHJFYXCCW-STQMWFEESA-N 2 0 285.407 1.315 10 0 CDAERP C[NH+](C)C1(C(=O)NCC[N@@H+](C)Cc2ccsc2)CCC1 ZINC001399498632 976532444 /nfs/dbraw/zinc/53/24/44/976532444.db2.gz PHGRJGGJPPOQQF-UHFFFAOYSA-N 2 0 295.452 1.780 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C ZINC001380771404 976546462 /nfs/dbraw/zinc/54/64/62/976546462.db2.gz WOTGXFLYNPXYOS-CABCVRRESA-N 2 0 281.444 1.659 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)CC[C@H]1CCCCO1 ZINC001399656762 976627182 /nfs/dbraw/zinc/62/71/82/976627182.db2.gz RWUYKSBBHRFJFR-OAHLLOKOSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]Cc1ccns1 ZINC001381101304 976672275 /nfs/dbraw/zinc/67/22/75/976672275.db2.gz IYMUGNQUYVTBRF-YPMHNXCESA-N 2 0 296.440 1.031 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC(C)([NH2+]CC2CCC2)CC1 ZINC001381128222 976682540 /nfs/dbraw/zinc/68/25/40/976682540.db2.gz OJTSISGVJRWRMB-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@@H](C(=O)NC[C@H]1CC[N@H+](CCC(C)C)C1)[NH+](C)C ZINC001399959593 976776947 /nfs/dbraw/zinc/77/69/47/976776947.db2.gz YJVKCBPGFKXLTG-CABCVRRESA-N 2 0 283.460 1.811 10 0 CDAERP C[NH+](C)CCC(=O)NCC[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001391327584 976802316 /nfs/dbraw/zinc/80/23/16/976802316.db2.gz VKFWLXJWGFDHLX-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)Cc1ccsc1 ZINC001403206532 976817356 /nfs/dbraw/zinc/81/73/56/976817356.db2.gz SUUGIJGAZARDBX-GXTWGEPZSA-N 2 0 295.452 1.636 10 0 CDAERP CC[NH2+][C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001400080465 976845440 /nfs/dbraw/zinc/84/54/40/976845440.db2.gz FCZXWSMIJZETSO-HOCLYGCPSA-N 2 0 289.423 1.795 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CCCCC[N@@H+]1CCCF ZINC001403326664 976884975 /nfs/dbraw/zinc/88/49/75/976884975.db2.gz WQXPHRZHBGLLEY-CQSZACIVSA-N 2 0 287.423 1.659 10 0 CDAERP CC[N@@H+]1CC[C@@H](CCNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001400172097 976902796 /nfs/dbraw/zinc/90/27/96/976902796.db2.gz VYENWUANHNFNJY-HUUCEWRRSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001403365242 976915936 /nfs/dbraw/zinc/91/59/36/976915936.db2.gz QJIMEMRBXMMHNN-CYBMUJFWSA-N 2 0 281.444 1.706 10 0 CDAERP CC(C)[N@@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001403365245 976916745 /nfs/dbraw/zinc/91/67/45/976916745.db2.gz QJIMEMRBXMMHNN-ZDUSSCGKSA-N 2 0 281.444 1.706 10 0 CDAERP CC(C)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001381576160 976926989 /nfs/dbraw/zinc/92/69/89/976926989.db2.gz NVYXURRXSFFSLG-ZNMIVQPWSA-N 2 0 283.460 1.809 10 0 CDAERP CC(C)[NH2+]CCC1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001391812803 977103929 /nfs/dbraw/zinc/10/39/29/977103929.db2.gz DKTNBWICAMUPAQ-UHFFFAOYSA-N 2 0 283.460 1.953 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NCCC2CC[NH+](CCF)CC2)C1 ZINC001391849573 977116135 /nfs/dbraw/zinc/11/61/35/977116135.db2.gz XDGMOAMCQFXYSK-HNNXBMFYSA-N 2 0 299.434 1.516 10 0 CDAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCC(C)(C)C ZINC001400914359 977242350 /nfs/dbraw/zinc/24/23/50/977242350.db2.gz DYOVLAGSDIWBOH-KBPBESRZSA-N 2 0 283.460 1.859 10 0 CDAERP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C ZINC001382368462 977267296 /nfs/dbraw/zinc/26/72/96/977267296.db2.gz LDBAPZPPAMVDCL-UONOGXRCSA-N 2 0 299.459 1.190 10 0 CDAERP Cc1nc[nH]c1CC(=O)NC[C@H]1CC[N@@H+]1CC1CCCC1 ZINC001392872130 977632453 /nfs/dbraw/zinc/63/24/53/977632453.db2.gz FTZNUCJXWAILSQ-CQSZACIVSA-N 2 0 290.411 1.641 10 0 CDAERP CC(C)CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001393644115 977881220 /nfs/dbraw/zinc/88/12/20/977881220.db2.gz KUXIQICMXZWACT-OAHLLOKOSA-N 2 0 283.460 1.765 10 0 CDAERP COCC[N@@H+]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001394301151 978129061 /nfs/dbraw/zinc/12/90/61/978129061.db2.gz QBRWKSXHZDKIAE-UONOGXRCSA-N 2 0 299.459 1.046 10 0 CDAERP CC[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](C(C)C)C[C@H]21)[NH+](CC)CC ZINC001394342267 978136743 /nfs/dbraw/zinc/13/67/43/978136743.db2.gz PQIAMFMBXPVNIP-JONQDZQNSA-N 2 0 295.471 1.809 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CCF ZINC001394566642 978198604 /nfs/dbraw/zinc/19/86/04/978198604.db2.gz LWFOISXAAINRGG-STQMWFEESA-N 2 0 273.396 1.267 10 0 CDAERP CC[N@@H+]1CC[C@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@H]12 ZINC001394691329 978233199 /nfs/dbraw/zinc/23/31/99/978233199.db2.gz MPTJYXVQLHLDKO-XJKSGUPXSA-N 2 0 279.428 1.461 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]C[C@@H]1CCOC1)C(C)(C)C ZINC001394837199 978279774 /nfs/dbraw/zinc/27/97/74/978279774.db2.gz YZMWWLWWBWIZKT-KBPBESRZSA-N 2 0 299.459 1.095 10 0 CDAERP CCC[NH2+]CCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001675973729 1174170212 /nfs/dbraw/zinc/17/02/12/1174170212.db2.gz MZXPSHXERQUMBR-UONOGXRCSA-N 2 0 269.433 1.613 10 0 CDAERP CCOCCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001677019493 1174307277 /nfs/dbraw/zinc/30/72/77/1174307277.db2.gz XTBRAFAVKSJNGS-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001570517721 1170174698 /nfs/dbraw/zinc/17/46/98/1170174698.db2.gz LOWCOUNCGDTVED-KBPBESRZSA-N 2 0 267.417 1.319 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC=C(C)C ZINC001570648069 1170221815 /nfs/dbraw/zinc/22/18/15/1170221815.db2.gz SQRMKCXQFBBVAX-KGLIPLIRSA-N 2 0 269.433 1.777 10 0 CDAERP CC(C)[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001570730976 1170260167 /nfs/dbraw/zinc/26/01/67/1170260167.db2.gz YXULCZRUOWLPET-STQMWFEESA-N 2 0 255.406 1.316 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1CC[NH3+] ZINC000070552831 1171670190 /nfs/dbraw/zinc/67/01/90/1171670190.db2.gz CVJCSCBYBVIQSC-CQSZACIVSA-N 2 0 275.396 1.402 10 0 CDAERP C[NH+](C)CCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353500115 282084109 /nfs/dbraw/zinc/08/41/09/282084109.db2.gz WLJAWYPEFTVAGG-RRFJBIMHSA-N 3 0 253.434 1.791 10 0 CDAERP CCN(C(=O)C[NH+](C)[C@H]1CCSC1)[C@H]1CC[N@H+](CC)C1 ZINC000617926973 342479672 /nfs/dbraw/zinc/47/96/72/342479672.db2.gz NJPBFTGNBFSANY-KBPBESRZSA-N 2 0 299.484 1.366 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000618560857 349485533 /nfs/dbraw/zinc/48/55/33/349485533.db2.gz QZNKAUSSJVHUCZ-AWEZNQCLSA-N 2 0 282.432 1.064 10 0 CDAERP C[C@@H]1C[NH2+]C[C@@H](NCc2ccc(C[NH3+])cc2F)C1 ZINC000650717241 398158415 /nfs/dbraw/zinc/15/84/15/398158415.db2.gz VOCQSEMRWPABTB-GWCFXTLKSA-N 2 0 251.349 1.372 10 0 CDAERP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)C[C@@H]1COCCN1 ZINC000650739847 398170770 /nfs/dbraw/zinc/17/07/70/398170770.db2.gz AMMXDNZDFRYJNH-HUUCEWRRSA-N 2 0 271.449 1.321 10 0 CDAERP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)C[C@@H]1COCCN1 ZINC000650739848 398171037 /nfs/dbraw/zinc/17/10/37/398171037.db2.gz AMMXDNZDFRYJNH-LSDHHAIUSA-N 2 0 271.449 1.321 10 0 CDAERP COc1ccc2c(c1)[C@@H]([NH3+])CC1(CC[NH+](C)CC1)O2 ZINC000082509422 178076252 /nfs/dbraw/zinc/07/62/52/178076252.db2.gz LHYJAGIHFPZENJ-ZDUSSCGKSA-N 2 0 262.353 1.942 10 0 CDAERP C[C@@H]1C[C@H](N(C)CC(=O)NCC(C)(C)C)CC[N@@H+]1C ZINC000625213678 342041777 /nfs/dbraw/zinc/04/17/77/342041777.db2.gz NZRSPJSTLIMOBS-CHWSQXEVSA-N 2 0 269.433 1.563 10 0 CDAERP C[N@H+](CCC(=O)N1CC[NH2+]CC1)Cc1ccc(Cl)cc1 ZINC000053299141 365650782 /nfs/dbraw/zinc/65/07/82/365650782.db2.gz XPWUQKSRUOTHJQ-UHFFFAOYSA-N 2 0 295.814 1.594 10 0 CDAERP CC(C)[NH2+]CCCNC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000151789720 342102084 /nfs/dbraw/zinc/10/20/84/342102084.db2.gz QPRLXCMFVZPPIF-UONOGXRCSA-N 2 0 269.433 1.788 10 0 CDAERP C[C@@H](CNC(=O)[C@@]1(C)CCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000121562390 342088689 /nfs/dbraw/zinc/08/86/89/342088689.db2.gz FFCZCDMUXWGRAN-WMLDXEAASA-N 2 0 289.423 1.765 10 0 CDAERP NC(=O)c1ccccc1[C@H]1CCCCCN1CC[NH3+] ZINC000616622979 342119616 /nfs/dbraw/zinc/11/96/16/342119616.db2.gz AWZPOCXAGNGGAJ-CQSZACIVSA-N 2 0 261.369 1.661 10 0 CDAERP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000618983847 349570843 /nfs/dbraw/zinc/57/08/43/349570843.db2.gz QHHJEZZWRHZHCG-JYJNAYRXSA-N 2 0 295.471 1.953 10 0 CDAERP [NH3+]CCN1CC[NH2+]C[C@@H]1c1cccc2cnccc21 ZINC000616636185 342121322 /nfs/dbraw/zinc/12/13/22/342121322.db2.gz LKDZSJAFEHUYLN-OAHLLOKOSA-N 2 0 256.353 1.140 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000592471020 342698153 /nfs/dbraw/zinc/69/81/53/342698153.db2.gz RVKXPUMKQNRTAA-NIFZNCRKSA-N 2 0 280.412 1.696 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000351670700 361854145 /nfs/dbraw/zinc/85/41/45/361854145.db2.gz JEPHGALRRDBLGH-BZUAXINKSA-N 2 0 293.455 1.994 10 0 CDAERP CCn1cc(CC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cn1 ZINC000621775169 342176998 /nfs/dbraw/zinc/17/69/98/342176998.db2.gz IBTBRULPYPBCJQ-GASCZTMLSA-N 2 0 262.401 1.377 10 0 CDAERP CC1(C)CC(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000625561312 342187771 /nfs/dbraw/zinc/18/77/71/342187771.db2.gz SYQHLEGUEGUPJJ-OAHLLOKOSA-N 2 0 266.429 1.954 10 0 CDAERP CC(=O)Nc1ccccc1C[NH2+]CCOCCC[NH3+] ZINC000629399759 361937078 /nfs/dbraw/zinc/93/70/78/361937078.db2.gz VXYPTRGZAMIUQD-UHFFFAOYSA-N 2 0 265.357 1.100 10 0 CDAERP CCC[C@@H](C(=O)NCC[N@H+](C)Cc1ccccc1)[NH+](C)C ZINC000138214330 361978476 /nfs/dbraw/zinc/97/84/76/361978476.db2.gz LRNLFVKHKRVVEN-INIZCTEOSA-N 2 0 291.439 1.965 10 0 CDAERP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)[C@H]1SC ZINC000594614190 342927945 /nfs/dbraw/zinc/92/79/45/342927945.db2.gz JHGGLFFLGKIAMT-XVIXHAIJSA-N 2 0 272.458 1.825 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)C1 ZINC000417852732 282191733 /nfs/dbraw/zinc/19/17/33/282191733.db2.gz OHDUPSHDCGHGOO-NWANDNLSSA-N 2 0 294.443 1.395 10 0 CDAERP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000594940510 342978592 /nfs/dbraw/zinc/97/85/92/342978592.db2.gz ZHRHSZLHQZLGHU-BYCMXARLSA-N 2 0 280.412 1.648 10 0 CDAERP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000594923466 342987983 /nfs/dbraw/zinc/98/79/83/342987983.db2.gz YIOFOOZORBTOOO-KGYLQXTDSA-N 2 0 254.374 1.115 10 0 CDAERP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCOC2CCOCC2)C1 ZINC000629510882 362125854 /nfs/dbraw/zinc/12/58/54/362125854.db2.gz WJJGKOIMXGWHPA-STQMWFEESA-N 2 0 256.390 1.241 10 0 CDAERP [NH3+][C@H]1C[C@H](NCC2([NH3+])CCOCC2)c2ccccc21 ZINC000629519950 362140158 /nfs/dbraw/zinc/14/01/58/362140158.db2.gz JIZXXMQPMZHRPO-KBPBESRZSA-N 2 0 261.369 1.229 10 0 CDAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000629525005 362147047 /nfs/dbraw/zinc/14/70/47/362147047.db2.gz XGXSOROSDRPTPI-FVCCEPFGSA-N 2 0 253.390 1.151 10 0 CDAERP C[N@@H+]1CC[C@]2(CC[NH+](C[C@H](O)CC3CCCC3)C2)C1 ZINC000336813187 362295505 /nfs/dbraw/zinc/29/55/05/362295505.db2.gz BVNPOTFVUKOOHR-CVEARBPZSA-N 2 0 266.429 1.955 10 0 CDAERP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000252615943 344074537 /nfs/dbraw/zinc/07/45/37/344074537.db2.gz ZJIWVVXFVUTTSJ-WYTNZGFTSA-N 2 0 265.401 1.116 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000569676559 362298699 /nfs/dbraw/zinc/29/86/99/362298699.db2.gz VMSFILKDCOAXFK-GOEBONIOSA-N 2 0 296.459 1.502 10 0 CDAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000258648725 344408569 /nfs/dbraw/zinc/40/85/69/344408569.db2.gz FVKLXCZISSKZJQ-KGLIPLIRSA-N 2 0 267.417 1.176 10 0 CDAERP c1cncc([C@H]2C[NH2+]CCN2CC2CC[NH2+]CC2)c1 ZINC000571444354 362521887 /nfs/dbraw/zinc/52/18/87/362521887.db2.gz ABPWAUCBBSUONY-OAHLLOKOSA-N 2 0 260.385 1.028 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000073905418 345583979 /nfs/dbraw/zinc/58/39/79/345583979.db2.gz QNFKLIWVIZZRFO-FFHGMXDLSA-N 2 0 296.459 1.641 10 0 CDAERP CCN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000617552880 345847624 /nfs/dbraw/zinc/84/76/24/345847624.db2.gz XBBQZYAYIAENMO-AWEZNQCLSA-N 2 0 267.417 1.271 10 0 CDAERP CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)[C@H]1CC[N@H+](C)C1 ZINC000617554530 345850005 /nfs/dbraw/zinc/85/00/05/345850005.db2.gz DSROUERJBZYMEC-GJZGRUSLSA-N 2 0 281.444 1.804 10 0 CDAERP C[C@](O)(C[NH3+])CCCN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000085303256 179011098 /nfs/dbraw/zinc/01/10/98/179011098.db2.gz YNMNYVZEVMSTGE-LSDHHAIUSA-N 2 0 269.433 1.037 10 0 CDAERP COCC[N@@H+]1CC[C@H](N[C@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623410341 346248693 /nfs/dbraw/zinc/24/86/93/346248693.db2.gz LLYXFUDFZJTEGZ-KBPBESRZSA-N 2 0 269.433 1.170 10 0 CDAERP [NH3+][C@H]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000085365095 179036017 /nfs/dbraw/zinc/03/60/17/179036017.db2.gz UHZJXGLZQWGLIK-YUTCNCBUSA-N 2 0 265.401 1.104 10 0 CDAERP CC[NH+](CC)CCN(CC(C)C)C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085368425 179038079 /nfs/dbraw/zinc/03/80/79/179038079.db2.gz VWAGWYBBNANQKJ-GJZGRUSLSA-N 2 0 283.460 1.940 10 0 CDAERP CC[N@@H+]1CC[C@H](Cn2c3c(nc2C(C)C)C[NH2+]CC3)C1 ZINC000085570502 179096592 /nfs/dbraw/zinc/09/65/92/179096592.db2.gz NPYCDNJGQFCDQT-ZDUSSCGKSA-N 2 0 276.428 1.994 10 0 CDAERP CC[NH+](CC)C[C@H](O)CNc1cc[nH+]c2c(N)cccc12 ZINC000584627873 346503897 /nfs/dbraw/zinc/50/38/97/346503897.db2.gz NSBKEFJVRKHLBI-GFCCVEGCSA-N 2 0 288.395 1.932 10 0 CDAERP C[C@H]([NH3+])C1(O)CC[NH+]([C@@H]2CCc3ccccc3C2)CC1 ZINC000584637073 346511274 /nfs/dbraw/zinc/51/12/74/346511274.db2.gz RUPAQBBIOPCNCE-XJKSGUPXSA-N 2 0 274.408 1.718 10 0 CDAERP C[C@@H]1C[C@H](N[C@H]2CC[NH+](C)C(C)(C)C2)CC[N@@H+]1C ZINC000623430424 346616199 /nfs/dbraw/zinc/61/61/99/346616199.db2.gz PFACQYDJTZDPME-MCIONIFRSA-N 2 0 253.434 1.932 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000669521336 482569047 /nfs/dbraw/zinc/56/90/47/482569047.db2.gz OTRVGSQOFYWVGE-KPXOXKRLSA-N 2 0 267.760 1.288 10 0 CDAERP CCc1nnc([C@H](C)N[C@@H]2CC[N@H+](C)C(C)(C)C2)[nH]1 ZINC000623476786 347417470 /nfs/dbraw/zinc/41/74/70/347417470.db2.gz PAEMMQRFEXGPAI-WDEREUQCSA-N 2 0 265.405 1.891 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@]3(CCOC3)C2)CC1(C)C ZINC000623481915 347438430 /nfs/dbraw/zinc/43/84/30/347438430.db2.gz ZNDUGUPKDZQYEQ-SQWLQELKSA-N 2 0 282.428 1.787 10 0 CDAERP CC[C@H]1C[NH2+][C@@](C)(C2CC2)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086223923 179253602 /nfs/dbraw/zinc/25/36/02/179253602.db2.gz QBMMCRQILZWLSM-ARFHVFGLSA-N 2 0 265.445 1.933 10 0 CDAERP C[C@@H]1CN[C@@H](C2CC2)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086259103 179258012 /nfs/dbraw/zinc/25/80/12/179258012.db2.gz QVMQZKROWHIWRL-IUODEOHRSA-N 2 0 251.418 1.401 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCCCS(C)(=O)=O)CC1(C)C ZINC000623495996 347604848 /nfs/dbraw/zinc/60/48/48/347604848.db2.gz DKZDSEYAJNAXRF-ZDUSSCGKSA-N 2 0 290.473 1.664 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CCCC[C@H]2O)CC1(C)C ZINC000623540941 347622909 /nfs/dbraw/zinc/62/29/09/347622909.db2.gz OJBKUFZMSMVJHN-BFHYXJOUSA-N 2 0 254.418 2.000 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCN(CC(F)F)C2)CC1(C)C ZINC000623552592 347628498 /nfs/dbraw/zinc/62/84/98/347628498.db2.gz MEHKOTRAQQGCQK-VXGBXAGGSA-N 2 0 275.387 1.788 10 0 CDAERP CC[NH+](CC)CCN(CC(C)C)C(=O)NC/C=C/C[NH3+] ZINC000641864280 365951549 /nfs/dbraw/zinc/95/15/49/365951549.db2.gz BJMIVZWTFDWWOL-BQYQJAHWSA-N 2 0 284.448 1.511 10 0 CDAERP CCC[C@@H](C)[C@H](CO)[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000517943087 260323568 /nfs/dbraw/zinc/32/35/68/260323568.db2.gz LTOPYNNAPWOLEQ-SJORKVTESA-N 2 0 299.503 1.789 10 0 CDAERP CN(CCC(=O)N1CCC2(C[NH+](C)C2)C1)c1cc[nH+]cc1 ZINC000614038626 347980979 /nfs/dbraw/zinc/98/09/79/347980979.db2.gz VTMFIOLKHQWCRU-UHFFFAOYSA-N 2 0 288.395 1.072 10 0 CDAERP C[NH2+][C@H]1CCN(c2cc[nH+]c(NCc3ccccn3)c2)C1 ZINC000114700069 349288101 /nfs/dbraw/zinc/28/81/01/349288101.db2.gz OGZIPEKVYQCSKY-AWEZNQCLSA-N 2 0 283.379 1.887 10 0 CDAERP CCN(CC)C(=O)C[NH+]1CCC([C@H](C)[NH2+]C)CC1 ZINC000104409147 185990419 /nfs/dbraw/zinc/99/04/19/185990419.db2.gz BPBQKYKQSSEXQW-LBPRGKRZSA-N 2 0 255.406 1.175 10 0 CDAERP CCC[NH2+][C@H](C)C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000104407755 185990750 /nfs/dbraw/zinc/99/07/50/185990750.db2.gz SJMPCAIOMVCNML-YUELXQCFSA-N 2 0 254.418 2.000 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1c2ccccc2C(=O)N1C ZINC000629536769 362951220 /nfs/dbraw/zinc/95/12/20/362951220.db2.gz IWPFXMWWXNKHRS-IUODEOHRSA-N 2 0 291.395 1.157 10 0 CDAERP C[C@@H]([NH2+]CCOCCC[NH3+])c1ccc(-n2ccnc2)cc1 ZINC000629535635 362960537 /nfs/dbraw/zinc/96/05/37/362960537.db2.gz CSALUQQHFUCJCO-CQSZACIVSA-N 2 0 288.395 1.888 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc2oc(=O)n(C)c2c1 ZINC000629545220 362970121 /nfs/dbraw/zinc/97/01/21/362970121.db2.gz CKJHPEZJODMEDM-UWVGGRQHSA-N 2 0 263.341 1.347 10 0 CDAERP Cc1cc(C[NH2+]C[C@@H]2CCCN2C)ccc1-n1cncn1 ZINC000623785797 351276780 /nfs/dbraw/zinc/27/67/80/351276780.db2.gz KMLWFCXOVIFMAC-HNNXBMFYSA-N 2 0 285.395 1.760 10 0 CDAERP CC[C@@H](C)[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000355339770 366078448 /nfs/dbraw/zinc/07/84/48/366078448.db2.gz GOAVGGWSATUJEV-GFCCVEGCSA-N 2 0 267.417 1.460 10 0 CDAERP CCO[C@H]1C[C@@H]([NH2+]C2CCC([NH3+])CC2)C12CCOCC2 ZINC000333857886 363192404 /nfs/dbraw/zinc/19/24/04/363192404.db2.gz RJBWYTIKIMEKGP-CVSAEHQPSA-N 2 0 282.428 1.820 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+][C@H](Cc1ccccc1)C(=O)N(C)C ZINC000422911918 295852801 /nfs/dbraw/zinc/85/28/01/295852801.db2.gz UVYNHUDIPUFHJK-GOEBONIOSA-N 2 0 291.439 1.793 10 0 CDAERP Cc1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)ncn1 ZINC000292296306 198234679 /nfs/dbraw/zinc/23/46/79/198234679.db2.gz ZHFIARSZHXSQRK-UHFFFAOYSA-N 2 0 290.411 1.329 10 0 CDAERP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCn1cncn1 ZINC000381858883 366088691 /nfs/dbraw/zinc/08/86/91/366088691.db2.gz DENZYYHYAKSPGA-STQMWFEESA-N 2 0 251.378 1.179 10 0 CDAERP O=C(NCCC[C@H]1CCC[NH2+]1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000641988296 366093237 /nfs/dbraw/zinc/09/32/37/366093237.db2.gz PTMPKFIFEURJNA-GDBMZVCRSA-N 2 0 294.443 1.304 10 0 CDAERP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCCC3(CC3)CC2)C1 ZINC000629661617 363316126 /nfs/dbraw/zinc/31/61/26/363316126.db2.gz BRUAPGKOLREBKV-AWEZNQCLSA-N 2 0 279.428 1.450 10 0 CDAERP CCc1cccc(F)c1C[N@H+](C)CCOCC[NH3+] ZINC000629662086 363317878 /nfs/dbraw/zinc/31/78/78/363317878.db2.gz COLWWNTXXQGEOU-UHFFFAOYSA-N 2 0 254.349 1.795 10 0 CDAERP C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH2+]CC2)[C@H]1c1ccccc1 ZINC000245926228 283046558 /nfs/dbraw/zinc/04/65/58/283046558.db2.gz HQHRGUNNQWKSLC-HZPDHXFCSA-N 2 0 287.407 1.548 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC[NH2+]1 ZINC000262345444 291042178 /nfs/dbraw/zinc/04/21/78/291042178.db2.gz HQYKBVCYQFGNJM-FQUUOJAGSA-N 2 0 265.401 1.070 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000357238892 283052438 /nfs/dbraw/zinc/05/24/38/283052438.db2.gz YSLXJYXPGACYBK-OLZOCXBDSA-N 2 0 255.406 1.269 10 0 CDAERP C[C@@H](C[NH3+])N(C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000417929874 295893120 /nfs/dbraw/zinc/89/31/20/295893120.db2.gz JGUSOFDZGMQYRA-HIFPTAJRSA-N 2 0 270.421 1.095 10 0 CDAERP Cc1n[nH]cc1[C@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000643543886 355995848 /nfs/dbraw/zinc/99/58/48/355995848.db2.gz UJTABUHNGADZNU-GRTSSRMGSA-N 2 0 291.443 1.585 10 0 CDAERP O=C(NC1CCN(c2ccccn2)CC1)[C@H]1CCCC[NH2+]1 ZINC000037008423 356306045 /nfs/dbraw/zinc/30/60/45/356306045.db2.gz FOCMYSZEGISYAM-CQSZACIVSA-N 2 0 288.395 1.309 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000418195550 283177816 /nfs/dbraw/zinc/17/78/16/283177816.db2.gz BTYWVGKWGQJFBO-MJBXVCDLSA-N 2 0 284.448 1.404 10 0 CDAERP CCOC(=O)N1CC[NH+](C2CCC3(C[C@H]3[NH3+])CC2)CC1 ZINC000725270686 538461114 /nfs/dbraw/zinc/46/11/14/538461114.db2.gz QSZKAVBZGWKYSB-JVWICGRDSA-N 2 0 281.400 1.421 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000341054030 366344396 /nfs/dbraw/zinc/34/43/96/366344396.db2.gz KFCYOTCLTDMXPG-SOUVJXGZSA-N 2 0 298.475 1.841 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH2+]Cc3ccccc32)C1 ZINC000087618410 357305360 /nfs/dbraw/zinc/30/53/60/357305360.db2.gz JKXZZTYIMXQMTM-GOEBONIOSA-N 2 0 287.407 1.474 10 0 CDAERP C[C@](O)(C[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000634700430 357357017 /nfs/dbraw/zinc/35/70/17/357357017.db2.gz ZUFJNZIEGIVCJT-WCVJEAGWSA-N 2 0 282.428 1.115 10 0 CDAERP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000565833898 357509585 /nfs/dbraw/zinc/50/95/85/357509585.db2.gz MCGBSXISMAVCJG-UCMJJCQDSA-N 2 0 291.439 1.509 10 0 CDAERP O[C@@H]1CCC[C@H]1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000089159249 357483806 /nfs/dbraw/zinc/48/38/06/357483806.db2.gz XGRFSEGGYJTCQG-XJKSGUPXSA-N 2 0 275.396 1.801 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000094460241 482789288 /nfs/dbraw/zinc/78/92/88/482789288.db2.gz CNMDQUCBQYRKBB-SOUVJXGZSA-N 2 0 281.444 1.693 10 0 CDAERP CC[C@H]([NH2+][C@@H](CCC[NH3+])COC)[C@@H]1CCCCO1 ZINC000656201240 482791604 /nfs/dbraw/zinc/79/16/04/482791604.db2.gz LKIVUJDZMZIQGZ-IHRRRGAJSA-N 2 0 258.406 1.678 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000357913414 283333477 /nfs/dbraw/zinc/33/34/77/283333477.db2.gz NFMPQJRQLJZCAL-RDBSUJKOSA-N 2 0 299.484 1.365 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261780106 283338207 /nfs/dbraw/zinc/33/82/07/283338207.db2.gz HHJWJFYVRWEDOP-STQMWFEESA-N 2 0 267.417 1.447 10 0 CDAERP CSc1nccnc1C[NH2+]CC1CC[NH2+]CC1 ZINC000095071940 358672817 /nfs/dbraw/zinc/67/28/17/358672817.db2.gz RYXOKTSADUEGIA-UHFFFAOYSA-N 2 0 252.387 1.288 10 0 CDAERP COC(=O)[C@@H]1CC12CC[NH+](C[C@@]1(C)CC[NH2+]C1)CC2 ZINC000261952969 359103011 /nfs/dbraw/zinc/10/30/11/359103011.db2.gz GFYZOBBCKYOCMI-JSGCOSHPSA-N 2 0 266.385 1.261 10 0 CDAERP COCCC[N@H+](C)CCNC(=O)CC[C@H]1CCCC[NH+]1C ZINC000354071639 359507467 /nfs/dbraw/zinc/50/74/67/359507467.db2.gz LPDROLPJMBRFIE-OAHLLOKOSA-N 2 0 299.459 1.335 10 0 CDAERP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)CC1CC[NH+](C)CC1 ZINC000422034298 359572679 /nfs/dbraw/zinc/57/26/79/359572679.db2.gz JERGDSPQWBEFAM-AWEZNQCLSA-N 2 0 267.417 1.271 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@H]1CCc2ccccc2C1 ZINC000422753525 359654385 /nfs/dbraw/zinc/65/43/85/359654385.db2.gz INLMZCFIFURDOX-OSMBCOQSSA-N 2 0 274.408 1.886 10 0 CDAERP CC[NH+]1CCN(c2ccccc2N[C@@H](C)C2C[NH2+]C2)CC1 ZINC000422919452 359675014 /nfs/dbraw/zinc/67/50/14/359675014.db2.gz KBMRQDGOAGOEBS-AWEZNQCLSA-N 2 0 288.439 1.848 10 0 CDAERP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000422979372 359695100 /nfs/dbraw/zinc/69/51/00/359695100.db2.gz MLJJUIYKCXMUJU-TUVASFSCSA-N 2 0 272.433 1.516 10 0 CDAERP C[C@]12C[C@H]1CCC[C@H]2[NH2+]CCCN1CC[NH2+]CC1 ZINC000423179602 359754942 /nfs/dbraw/zinc/75/49/42/359754942.db2.gz HNRXZGYIAFBPOK-KFWWJZLASA-N 2 0 251.418 1.450 10 0 CDAERP Cn1cc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])c(C(F)(F)F)n1 ZINC000422967279 359725378 /nfs/dbraw/zinc/72/53/78/359725378.db2.gz OUPSSLIPWHKIHL-WPRPVWTQSA-N 2 0 276.306 1.656 10 0 CDAERP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cn2cccnc2n1 ZINC000297693543 200261886 /nfs/dbraw/zinc/26/18/86/200261886.db2.gz QAQHUQMFVRDRBB-AWEZNQCLSA-N 2 0 291.399 1.176 10 0 CDAERP CC[C@H]1C[C@@H](C[NH+]2CCC([N@H+](C)CCCO)CC2)CCO1 ZINC000356979010 366669325 /nfs/dbraw/zinc/66/93/25/366669325.db2.gz ZUIXMHGTWMGPOV-RDJZCZTQSA-N 2 0 298.471 1.970 10 0 CDAERP Cc1cnccc1CC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000335364561 360161249 /nfs/dbraw/zinc/16/12/49/360161249.db2.gz BCGJWMZQMYCLPL-MRXNPFEDSA-N 2 0 259.397 1.960 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2oc(C)nc2C)CC1 ZINC000628202273 360241471 /nfs/dbraw/zinc/24/14/71/360241471.db2.gz NIISIGSOGWKFQA-GFCCVEGCSA-N 2 0 280.416 1.407 10 0 CDAERP C[C@H]1CC[C@@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)O1 ZINC000154612404 360373380 /nfs/dbraw/zinc/37/33/80/360373380.db2.gz YAJQXSKJKPQSSA-GJZGRUSLSA-N 2 0 299.459 1.286 10 0 CDAERP C[C@]1(C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)CC[NH2+]C1 ZINC000566482025 360454920 /nfs/dbraw/zinc/45/49/20/360454920.db2.gz LUEHFGTUYMGBRH-CVEARBPZSA-N 2 0 281.444 1.173 10 0 CDAERP CCC[C@@](C)([NH3+])C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000515861915 360538910 /nfs/dbraw/zinc/53/89/10/360538910.db2.gz SVCRXYFCBTYDDT-HRDQMINSSA-N 2 0 253.390 1.234 10 0 CDAERP [NH3+][C@H](CNC(=O)N1CC[NH+]2CCC1CC2)c1ccccc1 ZINC000335614501 360554082 /nfs/dbraw/zinc/55/40/82/360554082.db2.gz VDNLWSAHXYNGLY-OAHLLOKOSA-N 2 0 288.395 1.176 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)CC1 ZINC000337993437 360605607 /nfs/dbraw/zinc/60/56/07/360605607.db2.gz HHEWOXGADZHVIQ-ZIAGYGMSSA-N 2 0 252.402 1.611 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)C1CC1 ZINC000261636133 360641267 /nfs/dbraw/zinc/64/12/67/360641267.db2.gz HKYUFNATVRGZMG-SNPRPXQTSA-N 2 0 279.428 1.508 10 0 CDAERP CC1CCC(C[NH+]2CCC([NH2+]CCO)CC2)CC1 ZINC000635001231 360642256 /nfs/dbraw/zinc/64/22/56/360642256.db2.gz LGNFFRNDKTVNTN-UHFFFAOYSA-N 2 0 254.418 1.859 10 0 CDAERP C(C1CCCCC1)[NH+]1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634991679 360618166 /nfs/dbraw/zinc/61/81/66/360618166.db2.gz NTHWRTFTPXSVLH-UHFFFAOYSA-N 2 0 277.456 1.936 10 0 CDAERP c1ccc([C@@H]2C[NH2+]CCN2CC23CC(C2)C[NH2+]3)cc1 ZINC000634996804 360620816 /nfs/dbraw/zinc/62/08/16/360620816.db2.gz VSCDSDIFBKEORP-SIWZUTFBSA-N 2 0 257.381 1.385 10 0 CDAERP CCOC(=O)CC[C@@H](O)C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000572475982 360622591 /nfs/dbraw/zinc/62/25/91/360622591.db2.gz BKYHJSIIUHSELH-YMAMQOFZSA-N 2 0 298.427 1.297 10 0 CDAERP CC[NH+](CC)CCCNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000626918718 360633181 /nfs/dbraw/zinc/63/31/81/360633181.db2.gz JELRDHLNBLAGPN-CYBMUJFWSA-N 2 0 282.432 1.302 10 0 CDAERP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000626947866 360686354 /nfs/dbraw/zinc/68/63/54/360686354.db2.gz ITXCPKHHLXNFGO-ARILJUKYSA-N 2 0 296.459 1.402 10 0 CDAERP C[C@H](CNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)[NH+]1CCC(C)CC1 ZINC000626953259 360697313 /nfs/dbraw/zinc/69/73/13/360697313.db2.gz OLYBIHPCTNICOI-RBSFLKMASA-N 2 0 296.459 1.547 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1C1CCCCC1 ZINC000628546416 360736494 /nfs/dbraw/zinc/73/64/94/360736494.db2.gz WLXGSNSGPGSKMQ-OAHLLOKOSA-N 2 0 281.444 1.851 10 0 CDAERP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)CCO1 ZINC000429016018 360737236 /nfs/dbraw/zinc/73/72/36/360737236.db2.gz AJHDMFPCWWSQMB-QLFBSQMISA-N 2 0 252.402 1.829 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000417834371 360780485 /nfs/dbraw/zinc/78/04/85/360780485.db2.gz UYIGDTQGTBRLHM-RYUDHWBXSA-N 2 0 282.432 1.428 10 0 CDAERP C[N@@H+](Cc1ccc([S@@](C)=O)cc1)CC1CC[NH2+]CC1 ZINC000178975812 189158764 /nfs/dbraw/zinc/15/87/64/189158764.db2.gz XXCMTHGFIRPDNI-LJQANCHMSA-N 2 0 280.437 1.855 10 0 CDAERP C[C@H]1CN(Cc2cc(-n3ccnc3)cs2)CC(=O)N1C ZINC000335722000 360848118 /nfs/dbraw/zinc/84/81/18/360848118.db2.gz BPSCBGPMGMMYOL-NSHDSACASA-N 2 0 290.392 1.596 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)NCC[N@H+](C)C1CCCCC1 ZINC000338500001 360920745 /nfs/dbraw/zinc/92/07/45/360920745.db2.gz PBVIPOYJCNAAQW-CQSZACIVSA-N 2 0 298.475 1.890 10 0 CDAERP CC(C)C[NH+]1CCC([NH2+][C@H]2CCC(=O)NC2(C)C)CC1 ZINC000338777287 361005611 /nfs/dbraw/zinc/00/56/11/361005611.db2.gz YVUFDAAPCGYBEF-AWEZNQCLSA-N 2 0 281.444 1.754 10 0 CDAERP CC[NH+](CC)CCCNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000338805862 361040616 /nfs/dbraw/zinc/04/06/16/361040616.db2.gz UEPPJQNVEZQAON-ZDUSSCGKSA-N 2 0 270.421 1.112 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)[C@@H]2CCC[C@@H]21 ZINC000643535745 361210634 /nfs/dbraw/zinc/21/06/34/361210634.db2.gz IJPJAVYIWSQJTQ-ZQDZILKHSA-N 2 0 263.429 1.591 10 0 CDAERP COc1cccc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000339071009 361258923 /nfs/dbraw/zinc/25/89/23/361258923.db2.gz ONIHYFMUTLLCIG-GJZGRUSLSA-N 2 0 275.396 1.849 10 0 CDAERP NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000566352113 370691832 /nfs/dbraw/zinc/69/18/32/370691832.db2.gz WMBKOTZIUCQTAI-INIZCTEOSA-N 2 0 287.407 1.562 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCCC(C)(C)C2)CC[N@@H+]1C ZINC000632773229 361418018 /nfs/dbraw/zinc/41/80/18/361418018.db2.gz UXUSYTBPTHRRPY-LSDHHAIUSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H]1C[C@@H](N(C)C(=O)c2cnccc2N(C)C)CC[N@@H+]1C ZINC000183710266 189365907 /nfs/dbraw/zinc/36/59/07/189365907.db2.gz QRLIFFFOBHIEMM-STQMWFEESA-N 2 0 290.411 1.702 10 0 CDAERP C[C@@]1(C[NH2+]C[C@H](O)C[NH+]2CCCCC2)CCCS1 ZINC000311238515 361718513 /nfs/dbraw/zinc/71/85/13/361718513.db2.gz VFVORWIRCFUMFF-KBPBESRZSA-N 2 0 272.458 1.709 10 0 CDAERP C[C@@](CO)(NCc1cnc2n1CCC2)c1cccc(O)c1 ZINC000628374458 364006615 /nfs/dbraw/zinc/00/66/15/364006615.db2.gz KVYLUXNQEWUPJT-INIZCTEOSA-N 2 0 287.363 1.532 10 0 CDAERP C[NH2+]C1(CNC(=O)[C@H]2CCn3cc(C)nc3C2)CCC1 ZINC000630003989 364404118 /nfs/dbraw/zinc/40/41/18/364404118.db2.gz WHXZRUBUFSQVLR-LBPRGKRZSA-N 2 0 276.384 1.012 10 0 CDAERP CCC[NH+]1CCC(C[NH2+]C[C@H](C)S(C)(=O)=O)CC1 ZINC000580709905 364620278 /nfs/dbraw/zinc/62/02/78/364620278.db2.gz QLJUPFREWDNCGF-LBPRGKRZSA-N 2 0 276.446 1.131 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000105124983 364690582 /nfs/dbraw/zinc/69/05/82/364690582.db2.gz LIRCZWCUDBBWKI-QWHCGFSZSA-N 2 0 284.448 1.499 10 0 CDAERP Cc1noc(CCC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)n1 ZINC000353388352 365175851 /nfs/dbraw/zinc/17/58/51/365175851.db2.gz QIHHCAOYARHLJZ-MCIONIFRSA-N 2 0 278.400 1.773 10 0 CDAERP Cn1cnc(CC[NH2+][C@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000414130386 241080820 /nfs/dbraw/zinc/08/08/20/241080820.db2.gz WSWHBOUYVSLVHD-KKUMJFAQSA-N 2 0 262.401 1.425 10 0 CDAERP O=C(C[NH+]1CCCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000357487931 367024055 /nfs/dbraw/zinc/02/40/55/367024055.db2.gz AZQCEKBZZMAHIU-UHFFFAOYSA-N 2 0 265.401 1.215 10 0 CDAERP C[C@@H](C[C@@H]1COCCN1)[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000516921261 367212066 /nfs/dbraw/zinc/21/20/66/367212066.db2.gz YIYZBZWEDZHEIR-QWHCGFSZSA-N 2 0 292.427 1.156 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)N[C@H](C[NH3+])C2CCCCC2)C[NH2+]1 ZINC000627076685 367365521 /nfs/dbraw/zinc/36/55/21/367365521.db2.gz YEIQIRXYHGIHPG-MRVWCRGKSA-N 2 0 282.432 1.334 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2CC[NH2+][C@H]2CC)C1 ZINC000627166618 367599687 /nfs/dbraw/zinc/59/96/87/367599687.db2.gz GYUQZHGPLUIVQM-QLFBSQMISA-N 2 0 296.459 1.500 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000416835004 242175728 /nfs/dbraw/zinc/17/57/28/242175728.db2.gz STIKFXLYDTWDOZ-AVGNSLFASA-N 2 0 294.399 1.451 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCCC[NH+]1CCCCC1 ZINC000416868020 242195738 /nfs/dbraw/zinc/19/57/38/242195738.db2.gz DRLMPHOCENDIPA-ZIAGYGMSSA-N 2 0 282.432 1.160 10 0 CDAERP C[NH+]1CCC(CNC(=O)[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000234309368 367608903 /nfs/dbraw/zinc/60/89/03/367608903.db2.gz XZCAWUFCTIQMRI-ZDUSSCGKSA-N 2 0 267.417 1.223 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000417002308 242259254 /nfs/dbraw/zinc/25/92/54/242259254.db2.gz GDGXGZOKCIKEDX-MCIONIFRSA-N 2 0 284.448 1.628 10 0 CDAERP CC[C@H]([NH3+])CNC(=O)NC1CCN(c2ccccn2)CC1 ZINC000417079119 242304422 /nfs/dbraw/zinc/30/44/22/242304422.db2.gz MZNUVGPRLGADFE-LBPRGKRZSA-N 2 0 291.399 1.087 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627205824 367703338 /nfs/dbraw/zinc/70/33/38/367703338.db2.gz DVCRSSJIMSZOGB-RDBSUJKOSA-N 2 0 282.432 1.253 10 0 CDAERP CCCN(CC[NH+]1CCCC1)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627208262 367706268 /nfs/dbraw/zinc/70/62/68/367706268.db2.gz UKDHDCHNIVHLFH-CABCVRRESA-N 2 0 296.459 1.644 10 0 CDAERP CCC[NH+](CCC)CCCNC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000417464890 242485140 /nfs/dbraw/zinc/48/51/40/242485140.db2.gz HBQWPGIUUPOIJS-LSDHHAIUSA-N 2 0 298.475 1.796 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000627240670 367805776 /nfs/dbraw/zinc/80/57/76/367805776.db2.gz UXXWUIDALLNBDP-NWANDNLSSA-N 2 0 294.443 1.110 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)CC2(O)CCC2)[C@H](C)C1 ZINC000528417395 367834447 /nfs/dbraw/zinc/83/44/47/367834447.db2.gz SAGHCZGTRUCWFI-KFWWJZLASA-N 2 0 284.444 1.315 10 0 CDAERP C[C@@H]1CCC[C@@](CNC(=O)C2=CC[C@@H]([NH3+])C2)([NH+](C)C)C1 ZINC000638080168 368134933 /nfs/dbraw/zinc/13/49/33/368134933.db2.gz ZTODJRDXKHPQMW-XNRPHZJLSA-N 2 0 279.428 1.661 10 0 CDAERP CC[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000125274315 368228423 /nfs/dbraw/zinc/22/84/23/368228423.db2.gz SCWNCXRYEZMDHL-CYBMUJFWSA-N 2 0 279.428 1.461 10 0 CDAERP C[NH2+]C[C@H](C)CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000418388761 243017860 /nfs/dbraw/zinc/01/78/60/243017860.db2.gz NPTTVQFWMMCHAM-RYUDHWBXSA-N 2 0 278.400 1.361 10 0 CDAERP C[C@H](C[NH3+])NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418519689 243174089 /nfs/dbraw/zinc/17/40/89/243174089.db2.gz GIVKJIKWRAPWBH-HIFRSBDPSA-N 2 0 290.411 1.250 10 0 CDAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000418586681 243243551 /nfs/dbraw/zinc/24/35/51/243243551.db2.gz ZXOIGNXUVDPSFG-QWHCGFSZSA-N 2 0 282.432 1.110 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000418596660 243255954 /nfs/dbraw/zinc/25/59/54/243255954.db2.gz OZLGSJKGQYYORW-OLZOCXBDSA-N 2 0 282.432 1.158 10 0 CDAERP CC[NH2+][C@H](C)C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000638119680 368508410 /nfs/dbraw/zinc/50/84/10/368508410.db2.gz BIJNFSNQXCHCBM-XQQFMLRXSA-N 2 0 253.390 1.070 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000418693598 243346497 /nfs/dbraw/zinc/34/64/97/243346497.db2.gz GZWKVUWOOXVEDW-CHWSQXEVSA-N 2 0 296.415 1.479 10 0 CDAERP CO[C@H]1CN(CCC[NH+]2CCCCC2)[C@](C)(C[NH3+])C1 ZINC000630368246 368805092 /nfs/dbraw/zinc/80/50/92/368805092.db2.gz PUDKAOCOEUZUKS-CABCVRRESA-N 2 0 269.433 1.301 10 0 CDAERP C[C@H](CCC[NH3+])NC(=O)C12CCC[NH+](CCC1)C2 ZINC000638251897 368933668 /nfs/dbraw/zinc/93/36/68/368933668.db2.gz MLTNXYNSSBOEKZ-GFCCVEGCSA-N 2 0 253.390 1.106 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)C2=CC[C@H]([NH3+])C2)CC1 ZINC000638270090 369022587 /nfs/dbraw/zinc/02/25/87/369022587.db2.gz AIOKIIVRHRVSHV-LBPRGKRZSA-N 2 0 251.374 1.023 10 0 CDAERP [NH3+]CCC[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000420399439 244202464 /nfs/dbraw/zinc/20/24/64/244202464.db2.gz HUTCSJHDGHWQEA-OAHLLOKOSA-N 2 0 262.353 1.847 10 0 CDAERP C[N@@H+]1CC[C@H](CNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000368054871 369338450 /nfs/dbraw/zinc/33/84/50/369338450.db2.gz MZNGTWJGEDTJSI-IUODEOHRSA-N 2 0 285.407 1.267 10 0 CDAERP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000414949577 370968367 /nfs/dbraw/zinc/96/83/67/370968367.db2.gz FANNFSMGAPZTCI-SWLSCSKDSA-N 2 0 271.368 1.355 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000567364447 370969086 /nfs/dbraw/zinc/96/90/86/370969086.db2.gz KGZYYKKYPHRSKM-CQSZACIVSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@@H](CNC(=O)[C@@]1(C)CCC[NH2+]1)C[NH+]1CCCCC1 ZINC000079518675 369856659 /nfs/dbraw/zinc/85/66/59/369856659.db2.gz HZGGFDCKGSACPQ-DZGCQCFKSA-N 2 0 267.417 1.367 10 0 CDAERP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCN(C2CC2)CC1 ZINC000369776476 369877161 /nfs/dbraw/zinc/87/71/61/369877161.db2.gz AOAGVECBUAVBCF-HIFRSBDPSA-N 2 0 292.427 1.103 10 0 CDAERP CCC[NH2+]CCNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000564949681 370307444 /nfs/dbraw/zinc/30/74/44/370307444.db2.gz NVVSMJSZQWCQCM-CYBMUJFWSA-N 2 0 255.406 1.367 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CCCC23CC[NH+](C)CC3)C1 ZINC000565190827 370380161 /nfs/dbraw/zinc/38/01/61/370380161.db2.gz LZEOVFZUHQJKNP-AWEZNQCLSA-N 2 0 279.428 1.415 10 0 CDAERP CCC([NH3+])(CC)CNC(=O)NCC1([NH3+])CCCCCC1 ZINC000418285615 370504342 /nfs/dbraw/zinc/50/43/42/370504342.db2.gz PSHJBMMIKAUCHT-UHFFFAOYSA-N 2 0 284.448 1.855 10 0 CDAERP C[NH2+]CCc1ccccc1C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000565599434 370484966 /nfs/dbraw/zinc/48/49/66/370484966.db2.gz IBSWWPVBNJRSLZ-WFASDCNBSA-N 2 0 275.396 1.176 10 0 CDAERP COc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc(OC)c1 ZINC000414935139 370599467 /nfs/dbraw/zinc/59/94/67/370599467.db2.gz ANJCZIHZSXZNKS-IAQYHMDHSA-N 2 0 264.369 1.791 10 0 CDAERP CC[NH+]1CCC(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000643453725 370580529 /nfs/dbraw/zinc/58/05/29/370580529.db2.gz VTPJKKOXGLRHJZ-ZFWWWQNUSA-N 3 0 253.434 1.696 10 0 CDAERP COCCN1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422711246 245168752 /nfs/dbraw/zinc/16/87/52/245168752.db2.gz MLGDMMFPAUFVPB-RBSFLKMASA-N 2 0 269.433 1.204 10 0 CDAERP CC[C@H](Cn1cncn1)[NH2+]CCC[NH+](CC)CC ZINC000340469924 371067121 /nfs/dbraw/zinc/06/71/21/371067121.db2.gz XJNSXWFSDIBRHP-CYBMUJFWSA-N 2 0 253.394 1.378 10 0 CDAERP CC[N@H+](C)C[C@H](O)C[NH2+][C@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000567624041 371070758 /nfs/dbraw/zinc/07/07/58/371070758.db2.gz CEEILWGMDAEECB-IIAWOOMASA-N 2 0 286.460 1.466 10 0 CDAERP COc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1F ZINC000414960480 371074926 /nfs/dbraw/zinc/07/49/26/371074926.db2.gz QVNYJDYSTYDTDY-GXFFZTMASA-N 2 0 252.333 1.922 10 0 CDAERP CC(C)OC[C@@H](O)C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000567679438 371094809 /nfs/dbraw/zinc/09/48/09/371094809.db2.gz XAALETFZFYVTEM-AWEZNQCLSA-N 2 0 272.433 1.625 10 0 CDAERP CC[N@@H+]1CC[C@@H](C[NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000163258795 371100185 /nfs/dbraw/zinc/10/01/85/371100185.db2.gz YEYZNGASLMPRLN-LBPRGKRZSA-N 2 0 275.387 1.647 10 0 CDAERP CC[NH+]1CCC(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000422791360 245260130 /nfs/dbraw/zinc/26/01/30/245260130.db2.gz UWYSUUUAARBXBY-XYPWUTKMSA-N 3 0 265.445 1.981 10 0 CDAERP Cc1cc(NC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c(C)cn1 ZINC000573783373 371656425 /nfs/dbraw/zinc/65/64/25/371656425.db2.gz KHZLMPACLMSARE-MRXNPFEDSA-N 2 0 288.395 1.728 10 0 CDAERP C[C@H]([NH2+][C@@H](CO)Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000582474281 372318055 /nfs/dbraw/zinc/31/80/55/372318055.db2.gz JCFWNAVISIBIEK-NUEKZKHPSA-N 2 0 262.397 1.568 10 0 CDAERP Cn1ccc([C@H]([NH2+]CCCC[NH3+])c2ccc(F)cc2)n1 ZINC000423325266 245742505 /nfs/dbraw/zinc/74/25/05/245742505.db2.gz LHSFPSCKONZCLZ-OAHLLOKOSA-N 2 0 276.359 1.977 10 0 CDAERP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)N1CC[NH+]2CCC1CC2 ZINC000341196317 373464864 /nfs/dbraw/zinc/46/48/64/373464864.db2.gz STXBZXXSMUOGMN-LSDHHAIUSA-N 2 0 292.427 1.103 10 0 CDAERP [NH3+]C[C@@H](NC(=O)N1CCC2(CC[NH2+]C2)CC1)C1CCCC1 ZINC000333737064 205653450 /nfs/dbraw/zinc/65/34/50/205653450.db2.gz XBIQZKWMOTZCDJ-CQSZACIVSA-N 2 0 294.443 1.289 10 0 CDAERP Cn1c2cc(C[NH+]3CCC(C[NH3+])CC3)ccc2oc1=O ZINC000631820863 373697458 /nfs/dbraw/zinc/69/74/58/373697458.db2.gz ITULLYLYWOKEBY-UHFFFAOYSA-N 2 0 275.352 1.302 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)N1CC[NH+]2CCC1CC2 ZINC000341565901 373752294 /nfs/dbraw/zinc/75/22/94/373752294.db2.gz JPRGPLKIYYITTG-UHFFFAOYSA-N 2 0 282.432 1.208 10 0 CDAERP Cn1cc(C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)cn1 ZINC000123824545 374727263 /nfs/dbraw/zinc/72/72/63/374727263.db2.gz SUYKPDUUXRZLLI-CYBMUJFWSA-N 2 0 273.384 1.608 10 0 CDAERP CCOCC[N@@H+]1CCN(CC[NH+]2CCCCC2)C[C@@H]1CC ZINC000132285216 375440869 /nfs/dbraw/zinc/44/08/69/375440869.db2.gz DHWDOMJLBSGDAU-KRWDZBQOSA-N 2 0 297.487 1.905 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCC[NH+]1C ZINC000245391895 376030672 /nfs/dbraw/zinc/03/06/72/376030672.db2.gz SBGFKVVQUAGODP-ILXRZTDVSA-N 2 0 296.459 1.500 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@H]([NH3+])CC(F)F)CC1 ZINC000638975763 376323077 /nfs/dbraw/zinc/32/30/77/376323077.db2.gz PLHILQCLMPZZFD-SNVBAGLBSA-N 2 0 277.359 1.302 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N(C)C2CC[NH2+]CC2)CC1 ZINC000417393427 376335698 /nfs/dbraw/zinc/33/56/98/376335698.db2.gz QINMEZGMQZFSSJ-UHFFFAOYSA-N 2 0 296.459 1.502 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@H]2C[C@@H](C)CC[NH2+]2)CC1 ZINC000638981321 376339262 /nfs/dbraw/zinc/33/92/62/376339262.db2.gz RBMBBTVYFHCDQK-UONOGXRCSA-N 2 0 281.444 1.707 10 0 CDAERP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000246341969 376634924 /nfs/dbraw/zinc/63/49/24/376634924.db2.gz OVUOTJZBZGRFAM-UONOGXRCSA-N 2 0 284.448 1.500 10 0 CDAERP CCOc1ccc(OCC[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000631842884 376703586 /nfs/dbraw/zinc/70/35/86/376703586.db2.gz HCYBPTLIUVSMIP-KBPBESRZSA-N 2 0 278.396 1.991 10 0 CDAERP OCC[NH2+]C1CC[NH+](C[C@H]2CCCCC2(F)F)CC1 ZINC000631862404 376741874 /nfs/dbraw/zinc/74/18/74/376741874.db2.gz PBKGGGJAYBLGKH-GFCCVEGCSA-N 2 0 276.371 1.858 10 0 CDAERP C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)OC1CCOCC1 ZINC000631891371 376786749 /nfs/dbraw/zinc/78/67/49/376786749.db2.gz YJLHEWATLWMVPJ-HIFRSBDPSA-N 2 0 268.401 1.256 10 0 CDAERP CC[C@H](Cn1cncn1)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000331254669 376807888 /nfs/dbraw/zinc/80/78/88/376807888.db2.gz UAZJAYZSVLZCHR-GFCCVEGCSA-N 2 0 279.432 1.956 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC(C)C ZINC001662234018 1172512583 /nfs/dbraw/zinc/51/25/83/1172512583.db2.gz GFDHKBJESLTAQB-ZIAGYGMSSA-N 2 0 269.433 1.611 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000233455950 284675714 /nfs/dbraw/zinc/67/57/14/284675714.db2.gz SFIWURIJOGKUBG-CHWSQXEVSA-N 2 0 269.433 1.611 10 0 CDAERP c1cncc([C@H]2C[NH2+]CCN2C[C@@H]2CCC[NH2+]C2)c1 ZINC000261683777 377888440 /nfs/dbraw/zinc/88/84/40/377888440.db2.gz IPEUCLBEHDBFKN-UKRRQHHQSA-N 2 0 260.385 1.028 10 0 CDAERP O=C(c1ccc2nccn2c1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000632861899 377939178 /nfs/dbraw/zinc/93/91/78/377939178.db2.gz VQKQSNXHFMTDCM-JSGCOSHPSA-N 2 0 284.363 1.548 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)CC[N@@H+]1C ZINC000633065367 378094353 /nfs/dbraw/zinc/09/43/53/378094353.db2.gz HOPFACVFSDNBAD-QXSJWSMHSA-N 2 0 293.455 1.802 10 0 CDAERP C[C@@]1(C(F)F)C[N@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000662334739 412903374 /nfs/dbraw/zinc/90/33/74/412903374.db2.gz CTDWJVAFLZYJJL-AAEUAGOBSA-N 2 0 262.344 1.732 10 0 CDAERP C[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)C[C@](C)(C(F)F)O1 ZINC000662334928 412903518 /nfs/dbraw/zinc/90/35/18/412903518.db2.gz DMOSGSSBJRBXJN-NQBHXWOUSA-N 2 0 262.344 1.731 10 0 CDAERP CC[C@](C)(O)C[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000344074215 379137184 /nfs/dbraw/zinc/13/71/84/379137184.db2.gz QEYAPENHFKAVFN-HNNXBMFYSA-N 2 0 274.368 1.826 10 0 CDAERP CC(C)[C@H]1CN(C(=O)[C@H]2CCCC[C@]2(C)[NH3+])CC[N@@H+]1C ZINC000634300712 379360592 /nfs/dbraw/zinc/36/05/92/379360592.db2.gz JAFRYTWQEMFVLJ-FMKPAKJESA-N 2 0 281.444 1.693 10 0 CDAERP [NH3+]Cc1ccc(-c2noc(C3=CC[C@H]([NH3+])C3)n2)cc1 ZINC000634557988 379672050 /nfs/dbraw/zinc/67/20/50/379672050.db2.gz MUQVAIGYNHGFNB-LBPRGKRZSA-N 2 0 256.309 1.700 10 0 CDAERP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCCC[NH3+])cc1 ZINC000414877050 412928289 /nfs/dbraw/zinc/92/82/89/412928289.db2.gz FICJKZYFPBJNTP-GJZGRUSLSA-N 2 0 263.385 1.079 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655932559 412948579 /nfs/dbraw/zinc/94/85/79/412948579.db2.gz XKEWDCVLSKMZIN-ZJUUUORDSA-N 2 0 296.337 1.002 10 0 CDAERP CCN1CCC([N@H+](C)CC2(C(=O)OC)CC2)CC1 ZINC000450463341 251296151 /nfs/dbraw/zinc/29/61/51/251296151.db2.gz OETIFDBEKLCPPB-UHFFFAOYSA-N 2 0 254.374 1.356 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1cccnc1OC(C)C ZINC000234796040 483162310 /nfs/dbraw/zinc/16/23/10/483162310.db2.gz RBWRBJROLFVICQ-AWEZNQCLSA-N 2 0 281.400 1.712 10 0 CDAERP CC[NH2+][C@](C)(CO)C[C@@H](C)[N@H+](CC)CCOCC ZINC000085211490 184605279 /nfs/dbraw/zinc/60/52/79/184605279.db2.gz KVFIIWUMMJKSKC-KGLIPLIRSA-N 2 0 260.422 1.484 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000655969923 412983557 /nfs/dbraw/zinc/98/35/57/412983557.db2.gz DKBFVMNSLZAKMI-IJEWVQPXSA-N 2 0 294.443 1.112 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655976023 412988320 /nfs/dbraw/zinc/98/83/20/412988320.db2.gz XTNXIMCTJMCEJQ-XUXIUFHCSA-N 2 0 280.416 1.134 10 0 CDAERP C[C@@H]1CCC[N@H+](CCN[C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000422855892 296390797 /nfs/dbraw/zinc/39/07/97/296390797.db2.gz DEBGTZCQHAWGFJ-VNQPRFMTSA-N 2 0 281.444 1.075 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)N1CCCC[C@H]1c1ncc[nH]1 ZINC000662427571 413006978 /nfs/dbraw/zinc/00/69/78/413006978.db2.gz QZQPLPUHRHYJAQ-RYUDHWBXSA-N 2 0 280.372 1.216 10 0 CDAERP CCN1OC[C@H](N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C1=O ZINC000660256391 413021108 /nfs/dbraw/zinc/02/11/08/413021108.db2.gz LSKKMHCQBGBMJJ-YDHLFZDLSA-N 2 0 295.427 1.391 10 0 CDAERP CC(C)=CC[N@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001663317147 1172672666 /nfs/dbraw/zinc/67/26/66/1172672666.db2.gz ALHSLYAZUMYMMS-UHFFFAOYSA-N 2 0 265.401 1.096 10 0 CDAERP C[NH+](C)C[C@H](NC(=O)[C@@H]1CCCCC[NH2+]1)c1ccccc1 ZINC000080998519 177752013 /nfs/dbraw/zinc/75/20/13/177752013.db2.gz CPVUPYPPOIAVGB-HOTGVXAUSA-N 2 0 289.423 1.938 10 0 CDAERP [NH3+]C1CCC(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000062972999 413042367 /nfs/dbraw/zinc/04/23/67/413042367.db2.gz ZFFOCTJMULKZDB-JXQTWKCFSA-N 2 0 265.401 1.201 10 0 CDAERP CN(CCC(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21)c1cc[nH+]cc1 ZINC000646937830 390300894 /nfs/dbraw/zinc/30/08/94/390300894.db2.gz UGPNKLLYZNHWDB-HIFRSBDPSA-N 2 0 288.395 1.070 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)CC[C@@H](C)[NH3+])[C@@H](C)C1 ZINC000248858786 285384493 /nfs/dbraw/zinc/38/44/93/285384493.db2.gz LRPCVMVKTSWDSH-XQQFMLRXSA-N 2 0 255.406 1.303 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000573932462 390664161 /nfs/dbraw/zinc/66/41/61/390664161.db2.gz LKAGQWOFNZVTEV-JKSUJKDBSA-N 2 0 293.455 1.805 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]([NH3+])C2CC2)[C@H](C)C1 ZINC000418498854 285388094 /nfs/dbraw/zinc/38/80/94/285388094.db2.gz MRFDZALRSWABHE-XBFCOCLRSA-N 2 0 282.432 1.095 10 0 CDAERP CN(C(=O)[C@@H]1CCC[NH+]1C1CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000426307974 390871529 /nfs/dbraw/zinc/87/15/29/390871529.db2.gz UIWPRPNDICNPET-GJZGRUSLSA-N 2 0 277.412 1.308 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000648187756 390947646 /nfs/dbraw/zinc/94/76/46/390947646.db2.gz XUOOHAVQYODUOR-QWHCGFSZSA-N 2 0 279.428 1.556 10 0 CDAERP O[C@H](CNCc1ccns1)C[NH+]1CCCCC1 ZINC000404516946 390959760 /nfs/dbraw/zinc/95/97/60/390959760.db2.gz TVMYXMQQHHNZRB-LLVKDONJSA-N 2 0 255.387 1.080 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)C1 ZINC000647550930 390999097 /nfs/dbraw/zinc/99/90/97/390999097.db2.gz OVRNTLNMPREEHC-MEBFFEOJSA-N 2 0 250.386 1.532 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)NCC([NH3+])(CC)CC)CC1 ZINC000417742015 391005757 /nfs/dbraw/zinc/00/57/57/391005757.db2.gz AFTWXVLRYYBCSV-UHFFFAOYSA-N 2 0 298.475 1.925 10 0 CDAERP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000423584388 391059350 /nfs/dbraw/zinc/05/93/50/391059350.db2.gz DOAMVWORMIMJSZ-QWRGUYRKSA-N 2 0 262.357 1.147 10 0 CDAERP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](C)O[C@H](C)[C@@H]2C)CC1 ZINC000337449384 391152992 /nfs/dbraw/zinc/15/29/92/391152992.db2.gz DMSWJPKXLVJPPI-IXDOHACOSA-N 2 0 297.487 1.900 10 0 CDAERP CC(C)([NH3+])c1noc(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)n1 ZINC000647899426 391190230 /nfs/dbraw/zinc/19/02/30/391190230.db2.gz JWEBRQQHRQQFTQ-VXGBXAGGSA-N 2 0 293.415 1.227 10 0 CDAERP CC[N@H+](CCNC(=O)NCC[NH+]1CCCC[C@H]1C)C1CC1 ZINC000338426562 391203000 /nfs/dbraw/zinc/20/30/00/391203000.db2.gz TUVVZQJJTOPKSJ-CQSZACIVSA-N 2 0 296.459 1.644 10 0 CDAERP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCC[NH3+] ZINC000417253267 391346908 /nfs/dbraw/zinc/34/69/08/391346908.db2.gz LGXFLTRBYDELHV-XQQFMLRXSA-N 2 0 270.421 1.001 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000353688164 391400025 /nfs/dbraw/zinc/40/00/25/391400025.db2.gz LVBXTLVBSOPLBR-UHFFFAOYSA-N 2 0 296.459 1.643 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)NCC[NH+]1CCC1 ZINC000355138628 391442208 /nfs/dbraw/zinc/44/22/08/391442208.db2.gz XOFJGLGYHXXXMY-ZDUSSCGKSA-N 2 0 253.390 1.073 10 0 CDAERP CCc1ccc(C[N@H+](C)CCCN2CC[NH+](C)CC2)nc1 ZINC000411426126 391449376 /nfs/dbraw/zinc/44/93/76/391449376.db2.gz MIAQNNXMBMKOBI-UHFFFAOYSA-N 2 0 290.455 1.713 10 0 CDAERP CS[C@H]1CC[C@@H]1[NH2+]C1CCN(CCC(=O)N(C)C)CC1 ZINC000425342367 391467113 /nfs/dbraw/zinc/46/71/13/391467113.db2.gz HCEKWLKUSJQUFP-KBPBESRZSA-N 2 0 299.484 1.413 10 0 CDAERP CCC[C@](C)([NH3+])C(=O)NC[C@H]([NH3+])c1ccccc1CC ZINC000417825406 391490671 /nfs/dbraw/zinc/49/06/71/391490671.db2.gz CIJNVFSCTWIVAO-HOCLYGCPSA-N 2 0 277.412 1.883 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@H]([NH3+])[C@@H]2C)C1 ZINC000417546756 391651076 /nfs/dbraw/zinc/65/10/76/391651076.db2.gz FTDBTZXZFIPLQS-MJBXVCDLSA-N 2 0 282.432 1.238 10 0 CDAERP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2COc3ccc(OC)cc3C2)C1 ZINC000296200039 391691644 /nfs/dbraw/zinc/69/16/44/391691644.db2.gz YWRHNDFQYKVSHA-UKRRQHHQSA-N 2 0 290.407 1.930 10 0 CDAERP CS[C@H]1CC[C@@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000519705235 391692743 /nfs/dbraw/zinc/69/27/43/391692743.db2.gz BEAFGTMNBZPNAZ-KBPBESRZSA-N 2 0 271.474 1.498 10 0 CDAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000094459716 391702443 /nfs/dbraw/zinc/70/24/43/391702443.db2.gz ZIIQNUFFBFMBCO-QJPTWQEYSA-N 2 0 253.390 1.055 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@H](C)CC(=O)NCCc1ccccc1 ZINC000415016306 391724268 /nfs/dbraw/zinc/72/42/68/391724268.db2.gz NUXSYLYZPPQUBP-MGPQQGTHSA-N 2 0 277.412 1.449 10 0 CDAERP COc1c(O)cccc1C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415045035 391736325 /nfs/dbraw/zinc/73/63/25/391736325.db2.gz SXMHGILLRILLSE-JQWIXIFHSA-N 2 0 250.342 1.618 10 0 CDAERP CC[C@H](C)[NH2+][C@H](CNC(=O)NCCC[NH3+])c1ccco1 ZINC000418170041 391786720 /nfs/dbraw/zinc/78/67/20/391786720.db2.gz RBWDPORXFYDORI-NWDGAFQWSA-N 2 0 282.388 1.357 10 0 CDAERP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)COC1CCC([NH3+])CC1 ZINC000647650109 391787957 /nfs/dbraw/zinc/78/79/57/391787957.db2.gz IVRYGHZQTBVHFM-RYSNWHEDSA-N 2 0 283.416 1.001 10 0 CDAERP [NH3+]C1(CNC(=O)[C@@H]2C[NH2+]CCC2(F)F)CCCCCC1 ZINC000647653296 391809358 /nfs/dbraw/zinc/80/93/58/391809358.db2.gz ZBGFEPRMDGXNND-NSHDSACASA-N 2 0 289.370 1.399 10 0 CDAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000246591951 391892020 /nfs/dbraw/zinc/89/20/20/391892020.db2.gz RLZKISMHKWOONU-CABCVRRESA-N 2 0 281.444 1.563 10 0 CDAERP C[N@@H+]1CC[C@]2(CC[NH+](CCC[C@H]3CCOC3)C2)C1 ZINC000645922464 391982498 /nfs/dbraw/zinc/98/24/98/391982498.db2.gz YKWBALSOSDBGAE-GJZGRUSLSA-N 2 0 252.402 1.831 10 0 CDAERP C[N@@H+]1CC[C@@]2(CC[NH+](CCC[C@H]3CCOC3)C2)C1 ZINC000645922466 391982537 /nfs/dbraw/zinc/98/25/37/391982537.db2.gz YKWBALSOSDBGAE-LSDHHAIUSA-N 2 0 252.402 1.831 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)[C@@H](C)C1 ZINC000525107136 391949011 /nfs/dbraw/zinc/94/90/11/391949011.db2.gz MOOJVNVWKQCNCE-MJBXVCDLSA-N 2 0 267.417 1.127 10 0 CDAERP CC[C@@H](Cn1cncn1)[NH2+]CCC1CC[NH+](C)CC1 ZINC000438829126 391969344 /nfs/dbraw/zinc/96/93/44/391969344.db2.gz JIOBZQWBUYIMMD-AWEZNQCLSA-N 2 0 265.405 1.378 10 0 CDAERP C[C@]1(CN2CC[NH+](CC3CCOCC3)CC2)CC[NH2+]C1 ZINC000262012391 392029225 /nfs/dbraw/zinc/02/92/25/392029225.db2.gz MJVLVHAYIPPHBR-INIZCTEOSA-N 2 0 281.444 1.030 10 0 CDAERP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2COC3(CCC3)C2)CC1 ZINC000657835402 413051726 /nfs/dbraw/zinc/05/17/26/413051726.db2.gz XDNWTSRHXONFRQ-CQSZACIVSA-N 2 0 281.444 1.314 10 0 CDAERP Cc1nn(C)c(C)c1CCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423018920 392278605 /nfs/dbraw/zinc/27/86/05/392278605.db2.gz SKFUXRBRDWTANP-SWLSCSKDSA-N 2 0 264.417 1.700 10 0 CDAERP CO[C@H](CC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C)C(F)(F)F ZINC000423076250 392320130 /nfs/dbraw/zinc/32/01/30/392320130.db2.gz YTRBGMROJIMYMJ-GARJFASQSA-N 2 0 268.323 1.932 10 0 CDAERP C[C@H]1C[C@@H](C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)CC[NH2+]1 ZINC000567907966 392288845 /nfs/dbraw/zinc/28/88/45/392288845.db2.gz LEUODVKIEGNRSH-GMXVVIOVSA-N 2 0 288.395 1.224 10 0 CDAERP [NH3+]CC1CCC([NH2+][C@H](CO)c2ccsc2)CC1 ZINC000423047845 392299634 /nfs/dbraw/zinc/29/96/34/392299634.db2.gz HHGAURKXLAHXKF-KGPNIALWSA-N 2 0 254.399 1.889 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000423051730 392301376 /nfs/dbraw/zinc/30/13/76/392301376.db2.gz OYBUFQUYMZDIHZ-RYUDHWBXSA-N 2 0 296.390 1.273 10 0 CDAERP C[C@H](NC1CC([NH+]2CCCCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000423092198 392336796 /nfs/dbraw/zinc/33/67/96/392336796.db2.gz AXLURCUFHYNSMX-PPWQZUPISA-N 2 0 251.418 1.733 10 0 CDAERP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3C[C@H]3C)cn2)CC1 ZINC000488449989 392362913 /nfs/dbraw/zinc/36/29/13/392362913.db2.gz BRZANZHGXJSZJQ-GDBMZVCRSA-N 2 0 288.439 1.969 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])[C@@H]1n1cccn1 ZINC000423143480 392383067 /nfs/dbraw/zinc/38/30/67/392383067.db2.gz DFCZWKWYDDVGES-RGDJUOJXSA-N 2 0 266.389 1.317 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@H]1COc2c(C)cccc2C1 ZINC000423141855 392381819 /nfs/dbraw/zinc/38/18/19/392381819.db2.gz SANSIYKQOWWRSJ-HUUCEWRRSA-N 2 0 278.396 1.642 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC[C@H]([NH3+])c1ccccc1 ZINC000423241899 392465468 /nfs/dbraw/zinc/46/54/68/392465468.db2.gz LSNZCPZEMDHGPW-KCXAZCMYSA-N 2 0 259.397 1.759 10 0 CDAERP CC[NH+]1CCC(Nc2ccc(N3CC[NH2+]CC3)cn2)CC1 ZINC000423230081 392459487 /nfs/dbraw/zinc/45/94/87/392459487.db2.gz INCLIJCJHVGYLV-UHFFFAOYSA-N 2 0 289.427 1.387 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000423167664 392405677 /nfs/dbraw/zinc/40/56/77/392405677.db2.gz FKSIASZTVRPEHU-ZFWWWQNUSA-N 3 0 258.369 1.941 10 0 CDAERP C[C@@H](NC[C@@H]([NH3+])c1ccccc1)c1c[nH+]ccc1N ZINC000423253562 392471500 /nfs/dbraw/zinc/47/15/00/392471500.db2.gz WEEOCHIBFPVXBE-IAQYHMDHSA-N 2 0 256.353 1.845 10 0 CDAERP C[C@H]([NH3+])c1ccc(C[NH2+][C@H](C2CC2)[C@@H]2CNCCO2)cc1 ZINC000423293248 392492617 /nfs/dbraw/zinc/49/26/17/392492617.db2.gz QNTMMISGPUTQFX-AFAVFJNCSA-N 2 0 289.423 1.563 10 0 CDAERP CC[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)C1(C(=O)OC)CCC1 ZINC000423399019 392551148 /nfs/dbraw/zinc/55/11/48/392551148.db2.gz PHTHWSDGFCUMFG-AGIUHOORSA-N 2 0 268.401 1.696 10 0 CDAERP C[NH+](C)C1CCC([NH2+][C@H](C2CC2)[C@@H]2CNCCO2)CC1 ZINC000423549236 392588527 /nfs/dbraw/zinc/58/85/27/392588527.db2.gz NDKQGORDQDTHRW-SSHXOBKSSA-N 2 0 281.444 1.216 10 0 CDAERP [NH3+]C[C@H](C(=O)NC1CCC([NH3+])CC1)c1ccc(F)cc1 ZINC000646664708 392634267 /nfs/dbraw/zinc/63/42/67/392634267.db2.gz POXGPCHYENDZNO-RUXDESIVSA-N 2 0 279.359 1.254 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1C ZINC000540514053 392772594 /nfs/dbraw/zinc/77/25/94/392772594.db2.gz REBCGVAZNJPPCS-MJBXVCDLSA-N 2 0 279.428 1.317 10 0 CDAERP C[NH2+]CCOCCN(C)c1cc[nH+]c(C)c1Cl ZINC000630528901 393071287 /nfs/dbraw/zinc/07/12/87/393071287.db2.gz NUYZVOUKRQTGMW-UHFFFAOYSA-N 2 0 257.765 1.716 10 0 CDAERP CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000459661143 393288564 /nfs/dbraw/zinc/28/85/64/393288564.db2.gz QHRXJTREWMNWMX-NSHDSACASA-N 2 0 281.381 1.247 10 0 CDAERP O=C(C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)NC1CC[NH+](C2CC2)CC1 ZINC000459796416 393364636 /nfs/dbraw/zinc/36/46/36/393364636.db2.gz YRVXMKQGXNZYAJ-UHOFOFEASA-N 2 0 291.439 1.508 10 0 CDAERP CC[C@@H]([NH2+]C)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000662503512 413073131 /nfs/dbraw/zinc/07/31/31/413073131.db2.gz VKDPPGAEAGXWFI-JKSUJKDBSA-N 2 0 289.423 1.717 10 0 CDAERP [NH3+][C@H](CC(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1)c1ccccc1 ZINC000186562098 140063815 /nfs/dbraw/zinc/06/38/15/140063815.db2.gz PQSMVVINXKSGJB-GOEBONIOSA-N 2 0 287.407 1.820 10 0 CDAERP COc1cc([C@@H](C)[NH2+]C[C@H]2CN(C)CCN2C)ccc1F ZINC000212525016 140159869 /nfs/dbraw/zinc/15/98/69/140159869.db2.gz ZJXRMFFOTPEFRR-OCCSQVGLSA-N 2 0 295.402 1.731 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000234808957 140231876 /nfs/dbraw/zinc/23/18/76/140231876.db2.gz GNAIZHBBEXHVGQ-SJORKVTESA-N 2 0 291.439 1.604 10 0 CDAERP C[C@@H]1C[N@H+](CC[C@H]2CCC[NH+]2C)C[C@H]1N1CCOCC1 ZINC000245635143 140272125 /nfs/dbraw/zinc/27/21/25/140272125.db2.gz REGXEDOGAYLOML-BZUAXINKSA-N 2 0 281.444 1.123 10 0 CDAERP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000261653793 140369765 /nfs/dbraw/zinc/36/97/65/140369765.db2.gz YOCBUWPFFUWSOZ-WCQYABFASA-N 2 0 262.353 1.545 10 0 CDAERP C[C@H](CNC(=O)[C@H]([NH3+])C1CCOCC1)[N@@H+]1CCCC[C@H]1C ZINC000261854999 140399346 /nfs/dbraw/zinc/39/93/46/140399346.db2.gz RVKDSRUVDXDNDM-UMVBOHGHSA-N 2 0 297.443 1.119 10 0 CDAERP C[C@H]1CCN(C(=O)NCC2([NH3+])CCCCCC2)C[C@H]1C[NH3+] ZINC000334935604 140592753 /nfs/dbraw/zinc/59/27/53/140592753.db2.gz NMSSDTAHIIWQMI-UONOGXRCSA-N 2 0 296.459 1.664 10 0 CDAERP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1COC2(CCC2)C1 ZINC000657902551 413080847 /nfs/dbraw/zinc/08/08/47/413080847.db2.gz NFNJUUVYHGVZPD-KGLIPLIRSA-N 2 0 270.417 1.644 10 0 CDAERP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCSCC1 ZINC000657975966 413117401 /nfs/dbraw/zinc/11/74/01/413117401.db2.gz ITTOAPHRYUSXJQ-LSDHHAIUSA-N 2 0 285.501 1.888 10 0 CDAERP C[N@@H+]1CCN(CC[NH2+]C2CC(CF)(CF)C2)CC1(C)C ZINC000658002322 413127705 /nfs/dbraw/zinc/12/77/05/413127705.db2.gz LMIMYJLAEHHTCU-UHFFFAOYSA-N 2 0 289.414 1.690 10 0 CDAERP CCc1cc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc[nH+]1 ZINC000664196787 413140667 /nfs/dbraw/zinc/14/06/67/413140667.db2.gz WHZZMXHKFNUIER-AWEZNQCLSA-N 3 0 278.444 1.750 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)N[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000664216000 413151218 /nfs/dbraw/zinc/15/12/18/413151218.db2.gz FAFDCSHJARPYKW-UONOGXRCSA-N 2 0 298.475 1.889 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000662592817 413159822 /nfs/dbraw/zinc/15/98/22/413159822.db2.gz KKCWITGEBHXPPB-UONOGXRCSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000417678056 397634244 /nfs/dbraw/zinc/63/42/44/397634244.db2.gz ITWVDYCTQPCXJU-MCIONIFRSA-N 2 0 298.475 1.650 10 0 CDAERP CO[C@H](C[NH2+]C1CC[NH+](C(C)C)CC1)[C@H]1CCOC1 ZINC000658074522 413174832 /nfs/dbraw/zinc/17/48/32/413174832.db2.gz TWJCEKSWEAVAMX-DZGCQCFKSA-N 2 0 270.417 1.500 10 0 CDAERP [NH3+]C[C@@H](c1nc([C@@H]2CCC[NH2+]2)no1)c1ccc(F)cc1 ZINC000647147986 397874721 /nfs/dbraw/zinc/87/47/21/397874721.db2.gz CSYNRKPHOJQQIC-NEPJUHHUSA-N 2 0 276.315 1.724 10 0 CDAERP NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000037917859 398117234 /nfs/dbraw/zinc/11/72/34/398117234.db2.gz PMSNJLUEFWDSQZ-CVEARBPZSA-N 2 0 287.407 1.750 10 0 CDAERP CC[C@]1(C(=O)NC[C@H](C)C[NH+]2CCCCC2)CC[NH2+]C1 ZINC000062896827 288427762 /nfs/dbraw/zinc/42/77/62/288427762.db2.gz IZEWDMPKQSTREP-HOCLYGCPSA-N 2 0 281.444 1.614 10 0 CDAERP CC(C)[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000105915278 147238652 /nfs/dbraw/zinc/23/86/52/147238652.db2.gz MXBOGLYGBUCIOM-HNNXBMFYSA-N 2 0 269.433 1.122 10 0 CDAERP CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000658108743 413210150 /nfs/dbraw/zinc/21/01/50/413210150.db2.gz ROJMQXURBQLNSD-BFHYXJOUSA-N 2 0 259.438 1.271 10 0 CDAERP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)C1 ZINC000262024923 149004012 /nfs/dbraw/zinc/00/40/12/149004012.db2.gz ZDENUTMIOMUBON-HGTKMLMNSA-N 2 0 279.428 1.352 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH2+][C@@H](C)C2)[C@@H](C)C1 ZINC000262407515 149059521 /nfs/dbraw/zinc/05/95/21/149059521.db2.gz RVWNZRZXLUHLOT-ZQDZILKHSA-N 2 0 281.444 1.563 10 0 CDAERP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000262430692 149063325 /nfs/dbraw/zinc/06/33/25/149063325.db2.gz JNHKGYWAICAIGQ-MQYQWHSLSA-N 2 0 267.417 1.541 10 0 CDAERP C[C@@H](C[NH3+])C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000262617992 149084291 /nfs/dbraw/zinc/08/42/91/149084291.db2.gz ZGUKYWVIMLPULR-AWEZNQCLSA-N 2 0 289.423 1.884 10 0 CDAERP C[C@@H](C[NH2+]C1CCN(C(N)=O)CC1)N1CCC[C@@H](C)C1 ZINC000155950337 289254940 /nfs/dbraw/zinc/25/49/40/289254940.db2.gz XWDNSSCOPNAPNN-OLZOCXBDSA-N 2 0 282.432 1.240 10 0 CDAERP [NH3+][C@@H]1CCC[C@H](NC(=O)N2CCC(c3c[nH]cn3)CC2)C1 ZINC000334925520 150090630 /nfs/dbraw/zinc/09/06/30/150090630.db2.gz USPAGNNNEDSJCZ-OLZOCXBDSA-N 2 0 291.399 1.569 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N(CC)[C@H]1CC[NH+](CC)C1 ZINC000664297678 413243866 /nfs/dbraw/zinc/24/38/66/413243866.db2.gz YEUYCPODDJQCMO-HNNXBMFYSA-N 2 0 298.475 1.844 10 0 CDAERP C[C@@H](C(=O)N1CC[NH+]2CCC1CC2)[C@@H]([NH3+])c1ccccc1 ZINC000335037366 150213301 /nfs/dbraw/zinc/21/33/01/150213301.db2.gz ISLYXDFDMHYYJL-CZUORRHYSA-N 2 0 287.407 1.629 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000416795472 297106459 /nfs/dbraw/zinc/10/64/59/297106459.db2.gz TYIJGPXSJLKSEI-YPMHNXCESA-N 2 0 296.459 1.593 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000335813558 151041692 /nfs/dbraw/zinc/04/16/92/151041692.db2.gz AMQFJYDJJCAWMW-MRXNPFEDSA-N 2 0 287.407 1.607 10 0 CDAERP CCC1(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)CCOCC1 ZINC000336022455 151203972 /nfs/dbraw/zinc/20/39/72/151203972.db2.gz VYJONMFQPUZNAT-KBPBESRZSA-N 2 0 252.402 1.735 10 0 CDAERP CCC(C)(C)[NH2+][C@H](C)C(=O)NCCCC[NH+]1CCOCC1 ZINC000347033763 153386417 /nfs/dbraw/zinc/38/64/17/153386417.db2.gz FSGFYYSMHGTRIC-CQSZACIVSA-N 2 0 299.459 1.382 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCCC1 ZINC000349076625 154045780 /nfs/dbraw/zinc/04/57/80/154045780.db2.gz DBESLGAMHKXRIJ-ZDUSSCGKSA-N 2 0 253.390 1.073 10 0 CDAERP CC(C)C[C@H](CNC(=O)c1cc(C(C)(C)[NH3+])no1)[NH+](C)C ZINC000662673533 413289965 /nfs/dbraw/zinc/28/99/65/413289965.db2.gz MLHXHOFNVQIGMH-LLVKDONJSA-N 2 0 296.415 1.575 10 0 CDAERP [NH3+]C1(C(=O)NCCC[NH+]2CCCCC2)CC2(CCC2)C1 ZINC000662672649 413289084 /nfs/dbraw/zinc/28/90/84/413289084.db2.gz UOVYNJBWVQVVHA-UHFFFAOYSA-N 2 0 279.428 1.640 10 0 CDAERP CC(C)([NH3+])c1cc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)on1 ZINC000662688278 413315311 /nfs/dbraw/zinc/31/53/11/413315311.db2.gz NPXRZNCGYXVHSR-GHMZBOCLSA-N 2 0 292.383 1.225 10 0 CDAERP CC[N@H+](C)Cc1cccc(CNC(=O)CC2([NH3+])CC2)c1 ZINC000662694801 413328691 /nfs/dbraw/zinc/32/86/91/413328691.db2.gz SVZIQYBTFGVENU-UHFFFAOYSA-N 2 0 275.396 1.636 10 0 CDAERP CCC[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000658285748 413332885 /nfs/dbraw/zinc/33/28/85/413332885.db2.gz NMBZDSLLVBLFRL-ZJIFWQFVSA-N 2 0 265.445 1.933 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)CC2([NH3+])CC2)C1 ZINC000662698075 413335671 /nfs/dbraw/zinc/33/56/71/413335671.db2.gz HDSJMMHDOHVFLI-CABCVRRESA-N 2 0 293.455 1.981 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)[C@H]1CC[NH+](C2CC2)C1 ZINC000355570061 157122848 /nfs/dbraw/zinc/12/28/48/157122848.db2.gz DEUOIMZXNKPPMP-ZDUSSCGKSA-N 2 0 253.390 1.023 10 0 CDAERP CO[C@H](C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)C1CC1 ZINC000660665579 413353779 /nfs/dbraw/zinc/35/37/79/413353779.db2.gz WSKFTABDKBAIBQ-CABCVRRESA-N 2 0 252.402 1.829 10 0 CDAERP [NH3+]C1(CC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000662712046 413363784 /nfs/dbraw/zinc/36/37/84/413363784.db2.gz DJLUXUATEZETPA-UHFFFAOYSA-N 2 0 257.297 1.087 10 0 CDAERP O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1C[NH2+]C1 ZINC000365017927 159376786 /nfs/dbraw/zinc/37/67/86/159376786.db2.gz OCIIRRMHHHMNCH-OAHLLOKOSA-N 2 0 287.407 1.234 10 0 CDAERP C[N@H+](CCNC(=O)CC1([NH3+])CC1)Cc1ccc(F)cc1 ZINC000662750802 413431610 /nfs/dbraw/zinc/43/16/10/413431610.db2.gz YQHQHMUDBFJJFT-UHFFFAOYSA-N 2 0 279.359 1.255 10 0 CDAERP C[C@H]1C[C@H](NC(=O)C2([NH2+]C3CC3)CCC2)C[N@@H+]1C1CC1 ZINC000662754060 413431866 /nfs/dbraw/zinc/43/18/66/413431866.db2.gz CGTMPSWAYDZRME-AAEUAGOBSA-N 2 0 277.412 1.403 10 0 CDAERP O=C(NCc1ccc2c(c1)C[NH2+]C2)C1([NH2+]C2CC2)CCC1 ZINC000662769576 413466103 /nfs/dbraw/zinc/46/61/03/413466103.db2.gz GZINGJMWZZZEOR-UHFFFAOYSA-N 2 0 285.391 1.581 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001665588524 1173017214 /nfs/dbraw/zinc/01/72/14/1173017214.db2.gz STBIGFXRXYAWPY-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP COc1ccccc1[C@@H](C[NH3+])N1CC[NH+](CC(C)C)CC1 ZINC000020179558 171044043 /nfs/dbraw/zinc/04/40/43/171044043.db2.gz XGWVYJWZMHTHRM-MRXNPFEDSA-N 2 0 291.439 1.969 10 0 CDAERP CCC[NH+]1CCN([C@@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000020179594 171044133 /nfs/dbraw/zinc/04/41/33/171044133.db2.gz KXPZWHQNVLIYHM-INIZCTEOSA-N 2 0 277.412 1.723 10 0 CDAERP C[NH+](C)[C@H](CC[NH3+])COc1ccc2ncccc2c1 ZINC000020401647 171182662 /nfs/dbraw/zinc/18/26/62/171182662.db2.gz UESBJDLKLBLUBB-CYBMUJFWSA-N 2 0 259.353 1.893 10 0 CDAERP CN(C[C@@H]([NH3+])c1ccc2c(c1)OCO2)C1CC[NH+](C)CC1 ZINC000022564533 171391669 /nfs/dbraw/zinc/39/16/69/171391669.db2.gz PFQAHUZCGPLPQB-CQSZACIVSA-N 2 0 291.395 1.441 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000653210706 412139935 /nfs/dbraw/zinc/13/99/35/412139935.db2.gz GDLKVDYJYFDRAM-AWEZNQCLSA-N 2 0 261.369 1.164 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@H]([NH3+])CC(C)C ZINC000653211298 412140189 /nfs/dbraw/zinc/14/01/89/412140189.db2.gz SRUXMKCTELJKOM-CQSZACIVSA-N 2 0 263.385 1.396 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000653214491 412141218 /nfs/dbraw/zinc/14/12/18/412141218.db2.gz XLMJOMMFBSUTHV-MRXNPFEDSA-N 2 0 275.396 1.412 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccccc1C[NH2+]C ZINC000653214356 412141567 /nfs/dbraw/zinc/14/15/67/412141567.db2.gz QWYNGAKBPAKFEF-CABCVRRESA-N 2 0 275.396 1.410 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000653214058 412141589 /nfs/dbraw/zinc/14/15/89/412141589.db2.gz FBVBYDGNVWZDCL-ZBFHGGJFSA-N 2 0 273.380 1.022 10 0 CDAERP C[C@H](C(=O)NCCC1(C[NH3+])CC1)[C@@H]([NH3+])c1ccccc1 ZINC000653215897 412142289 /nfs/dbraw/zinc/14/22/89/412142289.db2.gz HQBIJNXYTIKYLB-GXTWGEPZSA-N 2 0 275.396 1.568 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000653214349 412142334 /nfs/dbraw/zinc/14/23/34/412142334.db2.gz QTGDQNRXKVNHJO-NVXWUHKLSA-N 2 0 289.423 1.930 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+] ZINC000653175871 412114619 /nfs/dbraw/zinc/11/46/19/412114619.db2.gz DUWUFLVYCFGKIV-KGLIPLIRSA-N 2 0 271.449 1.700 10 0 CDAERP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCCCC[C@@H]1[NH3+])C2 ZINC000653197779 412130932 /nfs/dbraw/zinc/13/09/32/412130932.db2.gz SJJCIXTTWNPJPM-JKQORVJESA-N 2 0 293.455 1.872 10 0 CDAERP C[C@@H](CNC(=O)N(C)CC1C[NH+](C)C1)C[NH+]1CCCCC1 ZINC000660832656 413530978 /nfs/dbraw/zinc/53/09/78/413530978.db2.gz GAEKMOSOHJFZSC-AWEZNQCLSA-N 2 0 296.459 1.311 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000662811745 413533208 /nfs/dbraw/zinc/53/32/08/413533208.db2.gz BDXXJDWHMKDJMS-ARFHVFGLSA-N 2 0 295.471 1.988 10 0 CDAERP c1cc([C@H]2C[NH2+]CCO2)ccc1N[C@H]1CCC[NH2+]CC1 ZINC000656793212 413674844 /nfs/dbraw/zinc/67/48/44/413674844.db2.gz QXCRPNQCFOXEBU-GOEBONIOSA-N 2 0 275.396 1.902 10 0 CDAERP CN1c2ccccc2C[C@H]([NH2+]C2CCC(C[NH3+])CC2)C1=O ZINC000656786887 413663687 /nfs/dbraw/zinc/66/36/87/413663687.db2.gz CTPOLSLTTYAOSI-ZALBZXLWSA-N 2 0 287.407 1.681 10 0 CDAERP Cc1cnc2cc(C(=O)N[C@H]3CCC[N@@H+](C)C3)ccn12 ZINC000654737471 413669697 /nfs/dbraw/zinc/66/96/97/413669697.db2.gz PEEPCNPKSGGVDK-ZDUSSCGKSA-N 2 0 272.352 1.467 10 0 CDAERP C[NH+](C)C1CCN([C@H](C[NH3+])C2CCCCC2)CC1 ZINC000036191515 172502853 /nfs/dbraw/zinc/50/28/53/172502853.db2.gz FTSLWCMRLHCQOH-OAHLLOKOSA-N 2 0 253.434 1.920 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000659425860 413809119 /nfs/dbraw/zinc/80/91/19/413809119.db2.gz PFOMANVFSAADHH-CQSZACIVSA-N 2 0 284.448 1.532 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCC2CC[NH+](CC3CC3)CC2)CC[NH2+]1 ZINC000662973247 413762221 /nfs/dbraw/zinc/76/22/21/413762221.db2.gz XCEQVESOYXRJSB-BBRMVZONSA-N 2 0 293.455 1.613 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659494603 413884085 /nfs/dbraw/zinc/88/40/85/413884085.db2.gz YOBFFCBVEUMULA-ZIAGYGMSSA-N 2 0 286.464 1.779 10 0 CDAERP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659457669 413842663 /nfs/dbraw/zinc/84/26/63/413842663.db2.gz HVWQSQUWYNUJNR-LSDHHAIUSA-N 2 0 298.475 1.924 10 0 CDAERP [NH3+]C1(CNC(=O)NCC2([NH3+])CCCCCC2)CCCC1 ZINC000659504811 413898730 /nfs/dbraw/zinc/89/87/30/413898730.db2.gz AGGNEXIYDLVZQX-UHFFFAOYSA-N 2 0 282.432 1.609 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cnc(C(F)(F)F)nc2)C1 ZINC000665234962 413962094 /nfs/dbraw/zinc/96/20/94/413962094.db2.gz NBBFTKQCUYBVSU-NXEZZACHSA-N 2 0 274.290 1.855 10 0 CDAERP C[C@]1(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CC1(F)F ZINC000665267414 414001861 /nfs/dbraw/zinc/00/18/61/414001861.db2.gz WGOSVCNXEYKAGN-WUHRBBMRSA-N 2 0 274.355 1.778 10 0 CDAERP CN(CC1C[NH+](C)C1)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000661335537 414002859 /nfs/dbraw/zinc/00/28/59/414002859.db2.gz DLBSDQCEZFRVQD-UHFFFAOYSA-N 2 0 282.432 1.062 10 0 CDAERP CCC(C)(C)[NH+]1CCN(C(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000659620264 414028010 /nfs/dbraw/zinc/02/80/10/414028010.db2.gz ZWVDLUUDSKHPNV-CQSZACIVSA-N 2 0 298.475 1.876 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[NH+](C(C)C)CC1 ZINC000659623869 414037115 /nfs/dbraw/zinc/03/71/15/414037115.db2.gz HBBNZHMETANDSF-CYBMUJFWSA-N 2 0 270.421 1.095 10 0 CDAERP C[C@@H]([NH2+][C@@H]1CN2CCC1CC2)C1CC[NH+](C)CC1 ZINC000037210051 173031962 /nfs/dbraw/zinc/03/19/62/173031962.db2.gz IKKPWWGRRQOEKU-IUODEOHRSA-N 2 0 251.418 1.401 10 0 CDAERP CCCC[NH+]1CCC([NH2+]C2CCN(C(N)=O)CC2)CC1 ZINC000037319120 173119224 /nfs/dbraw/zinc/11/92/24/173119224.db2.gz RJMHLOYHFRTPQL-UHFFFAOYSA-N 2 0 282.432 1.384 10 0 CDAERP C[NH+](C)CCCC(C)(C)NC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000655132393 414084468 /nfs/dbraw/zinc/08/44/68/414084468.db2.gz MXORDECXTUFOOG-CYBMUJFWSA-N 2 0 284.448 1.500 10 0 CDAERP c1cnn(CCC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)c1 ZINC000657302059 414141677 /nfs/dbraw/zinc/14/16/77/414141677.db2.gz SPXGROXHJVKAHD-UHFFFAOYSA-N 2 0 282.351 1.644 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)NCC[NH+](CC)CC ZINC000663402399 414220442 /nfs/dbraw/zinc/22/04/42/414220442.db2.gz MUSNZNGTOVVKJM-UHFFFAOYSA-N 2 0 286.464 1.748 10 0 CDAERP c1cc(CN[C@H]2CC[N@H+](CC3CC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000657355435 414226565 /nfs/dbraw/zinc/22/65/65/414226565.db2.gz NWCMJEVUTAPHBN-HNNXBMFYSA-N 2 0 297.406 1.841 10 0 CDAERP CC[C@@H]1C[C@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)CO1 ZINC000657356491 414227591 /nfs/dbraw/zinc/22/75/91/414227591.db2.gz MZFDMGAUAVSJOD-RRFJBIMHSA-N 2 0 270.417 1.380 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cnnn2Cc2ccccc2)C1 ZINC000655824876 414229517 /nfs/dbraw/zinc/22/95/17/414229517.db2.gz QKCORTFVCVUYSI-IYBDPMFKSA-N 2 0 299.422 1.756 10 0 CDAERP CCc1nn(C)cc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655826547 414235856 /nfs/dbraw/zinc/23/58/56/414235856.db2.gz IEQONCITCRQKPR-BJHJDKERSA-N 2 0 250.390 1.412 10 0 CDAERP CC[NH+]1CCC([NH2+]C[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000655803587 414195927 /nfs/dbraw/zinc/19/59/27/414195927.db2.gz USJNODDLHWJHGH-SOUVJXGZSA-N 2 0 283.460 1.558 10 0 CDAERP CC1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)COC1 ZINC000657358623 414216073 /nfs/dbraw/zinc/21/60/73/414216073.db2.gz LHDOITJAJRSKQQ-UHFFFAOYSA-N 2 0 258.325 1.393 10 0 CDAERP CC[C@H]1C[C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)CO1 ZINC000657387749 414268411 /nfs/dbraw/zinc/26/84/11/414268411.db2.gz ZMRVDSMHTHQDRU-ZFWWWQNUSA-N 2 0 269.433 1.170 10 0 CDAERP C[C@H]1CCN(Cc2nc3c(s2)C[NH2+]CC3)C[C@@H]1C[NH3+] ZINC000663496505 414293592 /nfs/dbraw/zinc/29/35/92/414293592.db2.gz HGBHOYWICDNEDD-QWRGUYRKSA-N 2 0 280.441 1.206 10 0 CDAERP COc1ccc(C[C@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cc1OC ZINC000663497570 414297514 /nfs/dbraw/zinc/29/75/14/414297514.db2.gz HMDAXNWGOXFTPQ-MKQDKFQKSA-N 2 0 290.407 1.976 10 0 CDAERP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccc2c(c1)C[NH2+]CC2 ZINC000663502166 414300404 /nfs/dbraw/zinc/30/04/04/414300404.db2.gz CZAGQWQIGLWPOC-MRXNPFEDSA-N 3 0 261.413 1.795 10 0 CDAERP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@]2(O)CCCOC2)C1 ZINC000659975551 414311907 /nfs/dbraw/zinc/31/19/07/414311907.db2.gz XFNAYYLRAQWYKN-HOTGVXAUSA-N 2 0 282.428 1.192 10 0 CDAERP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CC2(O)CCSCC2)C1 ZINC000659978337 414314438 /nfs/dbraw/zinc/31/44/38/414314438.db2.gz LSRMMDNHGXKUGT-HNNXBMFYSA-N 2 0 298.496 1.908 10 0 CDAERP CC/C=C\CC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662152343 414540493 /nfs/dbraw/zinc/54/04/93/414540493.db2.gz RXZCNPVLNVPAQB-ABCZVMIZSA-N 2 0 252.402 1.874 10 0 CDAERP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@](C)(C(F)F)O1 ZINC000662237516 414579324 /nfs/dbraw/zinc/57/93/24/414579324.db2.gz VVPIJMFGGOEIAQ-ZWNOBZJWSA-N 2 0 262.344 1.731 10 0 CDAERP C[NH+](C)CCC[C@H]1C[N@H+](C[C@@H]2CCCOC2)CCO1 ZINC000662318927 414637048 /nfs/dbraw/zinc/63/70/48/414637048.db2.gz BJAGNRZEMRCRMN-GJZGRUSLSA-N 2 0 270.417 1.456 10 0 CDAERP COCC[C@@H](C)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319376 414638552 /nfs/dbraw/zinc/63/85/52/414638552.db2.gz IKUOFPYZSUYLFE-KGLIPLIRSA-N 2 0 258.406 1.454 10 0 CDAERP C[NH+](C)CCC[C@H]1C[N@H+](CC[C@H]2CCCO2)CCO1 ZINC000662322937 414639132 /nfs/dbraw/zinc/63/91/32/414639132.db2.gz JRKJSBUDUGLVRB-CABCVRRESA-N 2 0 270.417 1.598 10 0 CDAERP C(C[N@@H+]1CC[C@]2(C1)CCCOC2)[C@@H]1CCC[NH2+]C1 ZINC000662314265 414632864 /nfs/dbraw/zinc/63/28/64/414632864.db2.gz COKJRSLWNQMIMF-GJZGRUSLSA-N 2 0 252.402 1.879 10 0 CDAERP C(C[N@@H+]1CC[C@@]2(C1)CCCOC2)C1CC[NH2+]CC1 ZINC000662315404 414632971 /nfs/dbraw/zinc/63/29/71/414632971.db2.gz OETQRSOPYQFJAI-OAHLLOKOSA-N 2 0 252.402 1.879 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000038100738 174115417 /nfs/dbraw/zinc/11/54/17/174115417.db2.gz VNVNZQVQCIGVSB-CQSZACIVSA-N 2 0 267.417 1.461 10 0 CDAERP [NH3+]CCCCCC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000038101720 174118004 /nfs/dbraw/zinc/11/80/04/174118004.db2.gz QDEFIBJSTSRSSV-UHFFFAOYSA-N 2 0 267.417 1.592 10 0 CDAERP C[C@@]([NH3+])(C(=O)N1CCC([NH+]2CCCC2)CC1)C1CC1 ZINC000038101765 174118020 /nfs/dbraw/zinc/11/80/20/174118020.db2.gz ANULGUKMBCPSSJ-HNNXBMFYSA-N 2 0 265.401 1.201 10 0 CDAERP CC[C@@H](C)[NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000040419932 174257506 /nfs/dbraw/zinc/25/75/06/174257506.db2.gz BLIWUFWTZLJQDD-UKRRQHHQSA-N 2 0 277.412 1.794 10 0 CDAERP C[C@H](c1ccccc1)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508152 174303649 /nfs/dbraw/zinc/30/36/49/174303649.db2.gz AJDZGBJCPKUFQI-GDBMZVCRSA-N 2 0 287.407 1.644 10 0 CDAERP CC[NH+]1CCN([C@H](C[NH3+])c2cccc(C)c2C)CC1 ZINC000043314475 175004461 /nfs/dbraw/zinc/00/44/61/175004461.db2.gz RCRDSBGDLJOIED-MRXNPFEDSA-N 2 0 261.413 1.941 10 0 CDAERP CC[C@H]([NH3+])[C@H](c1ccncc1)N1CC[NH+](CC2CC2)CC1 ZINC000043354237 175021588 /nfs/dbraw/zinc/02/15/88/175021588.db2.gz JKNPADMZJFHNEW-IRXDYDNUSA-N 2 0 288.439 1.888 10 0 CDAERP CCC(CC)NC(=O)[C@@H](C)[N@H+](CCC[NH3+])CC(C)C ZINC000043417376 175038551 /nfs/dbraw/zinc/03/85/51/175038551.db2.gz FCNQNRMUZPVPRL-CYBMUJFWSA-N 2 0 271.449 1.987 10 0 CDAERP CCN(C(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)C1CC[NH2+]CC1 ZINC000043559876 175065650 /nfs/dbraw/zinc/06/56/50/175065650.db2.gz SEUOTSIHVYXDMF-MJBXVCDLSA-N 2 0 281.444 1.848 10 0 CDAERP c1ccc2c(c1)CC[NH2+][C@@H]2CN1CC[NH+](CC2CC2)CC1 ZINC000043596213 175076834 /nfs/dbraw/zinc/07/68/34/175076834.db2.gz DRRIHLWVMKOYGP-GOSISDBHSA-N 2 0 285.435 1.901 10 0 CDAERP CC[NH+]1CCN([C@H]2COc3ccccc3[C@H]2[NH2+]C)CC1 ZINC000043805899 175108601 /nfs/dbraw/zinc/10/86/01/175108601.db2.gz UUDMSYUAGGUNBK-GOEBONIOSA-N 2 0 275.396 1.346 10 0 CDAERP CC[NH2+][C@@H]1c2ccccc2OC[C@@H]1N1CC[NH+](CC)CC1 ZINC000043806098 175108644 /nfs/dbraw/zinc/10/86/44/175108644.db2.gz CBWCKMCQLYUJNL-DOTOQJQBSA-N 2 0 289.423 1.736 10 0 CDAERP C[NH2+][C@H]1CCOC[C@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000043907783 175123280 /nfs/dbraw/zinc/12/32/80/175123280.db2.gz DJSCRPAOXNIBPP-JKSUJKDBSA-N 2 0 281.444 1.314 10 0 CDAERP CCC[NH2+][C@@H]1CCC[C@@H]1N1CC[NH+](C2CC2)CC1 ZINC000043967773 175129118 /nfs/dbraw/zinc/12/91/18/175129118.db2.gz QDTJJMBODMBAIG-CABCVRRESA-N 2 0 251.418 1.687 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@@H](C)[NH2+]2)CC1 ZINC000044526947 175192087 /nfs/dbraw/zinc/19/20/87/175192087.db2.gz ZSQUECAVFSBFMF-OCCSQVGLSA-N 2 0 267.417 1.365 10 0 CDAERP CCC[NH2+]C1CCN(C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000044537343 175199860 /nfs/dbraw/zinc/19/98/60/175199860.db2.gz JIYMPDVHDSIDAX-CQSZACIVSA-N 2 0 253.434 1.792 10 0 CDAERP CCC[NH2+]CC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000044649832 175224306 /nfs/dbraw/zinc/22/43/06/175224306.db2.gz NWRYUEGBMULEHU-UHFFFAOYSA-N 2 0 255.406 1.365 10 0 CDAERP C[NH+](C)C1CCN(C(=O)C2(C[NH3+])CCCCCC2)CC1 ZINC000044762897 175246745 /nfs/dbraw/zinc/24/67/45/175246745.db2.gz MKSZLRMFAGXPEV-UHFFFAOYSA-N 2 0 281.444 1.838 10 0 CDAERP C[C@@H]([NH3+])c1cccc(NC(=O)NC[C@H](C)[NH+](C)C)c1 ZINC000045113997 175311170 /nfs/dbraw/zinc/31/11/70/175311170.db2.gz NILJUPQZSXKFOY-WDEREUQCSA-N 2 0 264.373 1.778 10 0 CDAERP CC[NH+]1CCC(N(C)CC[C@](C)([NH2+]C(C)C)C(N)=O)CC1 ZINC000045278509 175348404 /nfs/dbraw/zinc/34/84/04/175348404.db2.gz SDUMESWKJKUTSB-INIZCTEOSA-N 2 0 298.475 1.035 10 0 CDAERP COC(=O)[C@](C)([NH3+])CCC[N@H+](C)CCc1ccccn1 ZINC000045371975 175364296 /nfs/dbraw/zinc/36/42/96/175364296.db2.gz DFYKUJKYBIGIBA-OAHLLOKOSA-N 2 0 279.384 1.227 10 0 CDAERP CC[N@H+](CCC[C@@](C)([NH2+]C)C(N)=O)C1CCCCC1 ZINC000045372434 175364998 /nfs/dbraw/zinc/36/49/98/175364998.db2.gz BPNAOOBDJKHKDR-OAHLLOKOSA-N 2 0 269.433 1.885 10 0 CDAERP CC(C)[NH2+][C@@](C)(CCC[N@@H+]1CCCC[C@@H]1C)C(N)=O ZINC000045376174 175366694 /nfs/dbraw/zinc/36/66/94/175366694.db2.gz ZFIVVAANOBYUIX-ZFWWWQNUSA-N 2 0 269.433 1.883 10 0 CDAERP CC(C)[N@H+](C)CCCC[C@@](C)([NH2+]C1CC1)C(N)=O ZINC000045378019 175367712 /nfs/dbraw/zinc/36/77/12/175367712.db2.gz CCKUCHZQZKFUHV-CQSZACIVSA-N 2 0 255.406 1.493 10 0 CDAERP CCC[N@H+](CCC[C@](C)([NH2+]CC)C(N)=O)C(C)C ZINC000045386024 175372303 /nfs/dbraw/zinc/37/23/03/175372303.db2.gz WKLUPAAKQZYHTI-AWEZNQCLSA-N 2 0 257.422 1.741 10 0 CDAERP CCC[NH2+][C@H]1CCN([C@H](C[NH+](C)C)C(C)C)C1=O ZINC000071034279 176024387 /nfs/dbraw/zinc/02/43/87/176024387.db2.gz FBBLWMYMHUKGIQ-QWHCGFSZSA-N 2 0 255.406 1.173 10 0 CDAERP CC[NH+](CC)CCC[C@@H](C)N1CC[C@H]([NH2+]C)C1=O ZINC000071038060 176026812 /nfs/dbraw/zinc/02/68/12/176026812.db2.gz MBDKFKVPDONGDG-OLZOCXBDSA-N 2 0 255.406 1.317 10 0 CDAERP CC(C)[NH2+][C@H]1CCCN(CC[NH+]2CCCC2)C1=O ZINC000071042523 176028789 /nfs/dbraw/zinc/02/87/89/176028789.db2.gz VGTNOFIHTIYAAO-ZDUSSCGKSA-N 2 0 253.390 1.071 10 0 CDAERP CCOc1ccc([C@@H](C)[N@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC000071148845 176044400 /nfs/dbraw/zinc/04/44/00/176044400.db2.gz QLUCGCJHMRAMFB-OAHLLOKOSA-N 2 0 291.439 1.983 10 0 CDAERP C[N@H+](C[C@H](O)c1cccc(N)c1)C[C@@H]1CC[NH+](C)C1 ZINC000071187835 176061354 /nfs/dbraw/zinc/06/13/54/176061354.db2.gz DLQPHPQIUKZWPP-DOMZBBRYSA-N 2 0 263.385 1.186 10 0 CDAERP CC[C@@H]([NH3+])[C@@H](c1cnn(C)c1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071187899 176062173 /nfs/dbraw/zinc/06/21/73/176062173.db2.gz WROONWOMZIKMNU-BPLDGKMQSA-N 2 0 279.432 1.082 10 0 CDAERP CC(C)[C@H](C[NH2+]C1CC1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191969 176072460 /nfs/dbraw/zinc/07/24/60/176072460.db2.gz JNJYQDOANCWMAE-HIFRSBDPSA-N 2 0 253.434 1.647 10 0 CDAERP CCC[NH2+][C@H]1CCCN([C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000071200787 176077603 /nfs/dbraw/zinc/07/76/03/176077603.db2.gz GZWSVOJQMGEYCP-DZGCQCFKSA-N 2 0 251.418 1.687 10 0 CDAERP CC[NH2+]CCCCCC[N@@H+]1CCn2ccnc2C1 ZINC000071289924 176110748 /nfs/dbraw/zinc/11/07/48/176110748.db2.gz VSJROPQZOBZMJS-UHFFFAOYSA-N 2 0 250.390 1.869 10 0 CDAERP C[C@H]1CC[C@@H]([NH3+])C[C@@H]1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000071380152 176144115 /nfs/dbraw/zinc/14/41/15/176144115.db2.gz KDJUGTXVVOBNAJ-GUTXKFCHSA-N 2 0 281.444 1.741 10 0 CDAERP COc1ccc([C@H](C[NH3+])N2CC[NH+](C)CC2)cc1F ZINC000071599162 176223319 /nfs/dbraw/zinc/22/33/19/176223319.db2.gz SDFAYWPQHIRCDP-ZDUSSCGKSA-N 2 0 267.348 1.082 10 0 CDAERP CCC[C@H](C(=O)NC1CC[NH+](CC2CC2)CC1)[NH+](C)C ZINC000179554670 260054959 /nfs/dbraw/zinc/05/49/59/260054959.db2.gz DEMYUAZQJXIZEQ-OAHLLOKOSA-N 2 0 281.444 1.707 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CCCC1(F)F ZINC000390581917 262223067 /nfs/dbraw/zinc/22/30/67/262223067.db2.gz DUOFYPIVYFHJPW-WDEREUQCSA-N 2 0 250.333 1.765 10 0 CDAERP C[N@H+](CC1CC1)C[C@@H]1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662261750 423804043 /nfs/dbraw/zinc/80/40/43/423804043.db2.gz AKQBSVNXHXWDMN-JKSUJKDBSA-N 2 0 293.455 1.171 10 0 CDAERP O=C(NCC[NH2+]C1CC1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659509375 423833790 /nfs/dbraw/zinc/83/37/90/423833790.db2.gz BKCLMRJHDAXJTI-AWEZNQCLSA-N 2 0 294.443 1.160 10 0 CDAERP CN(Cc1cccc2c1CC[NH2+]C2)[C@@H](C[NH3+])C1CC1 ZINC000662274591 423838921 /nfs/dbraw/zinc/83/89/21/423838921.db2.gz XMNIJGBNJAFZKX-INIZCTEOSA-N 2 0 259.397 1.501 10 0 CDAERP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3C[C@@H](C(N)=O)C3)CC2)C1 ZINC000651940025 423941136 /nfs/dbraw/zinc/94/11/36/423941136.db2.gz YONHWPKQFCTBQI-LUYZLQTOSA-N 2 0 293.455 1.883 10 0 CDAERP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCCC1(C[NH3+])CC1 ZINC000652193888 424018137 /nfs/dbraw/zinc/01/81/37/424018137.db2.gz YHKDZNZYUCSJTE-LBPRGKRZSA-N 2 0 270.421 1.143 10 0 CDAERP CC[C@H](Cn1cncn1)[NH2+]CCC[N@H+](C)CC(C)C ZINC000652222107 424096441 /nfs/dbraw/zinc/09/64/41/424096441.db2.gz FVVCAIDPIIWPAG-CQSZACIVSA-N 2 0 267.421 1.624 10 0 CDAERP CN(CC1([NH+](C)C)CCC1)C(=O)NCCC1(C[NH3+])CC1 ZINC000652237147 424114277 /nfs/dbraw/zinc/11/42/77/424114277.db2.gz JHZGTSPYYKOACP-UHFFFAOYSA-N 2 0 282.432 1.241 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000652223503 424099377 /nfs/dbraw/zinc/09/93/77/424099377.db2.gz HBDKPXJQTUMLFE-WFASDCNBSA-N 2 0 290.411 1.333 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H](C)[NH+](CC)CC)C1 ZINC000660822355 424244250 /nfs/dbraw/zinc/24/42/50/424244250.db2.gz MSSJGDJPBNFSSM-KGLIPLIRSA-N 2 0 284.448 1.500 10 0 CDAERP C[NH+](C)C[C@@H](NC(=O)CCC(C)(C)[NH3+])c1ccccc1 ZINC000070088067 424280607 /nfs/dbraw/zinc/28/06/07/424280607.db2.gz YMSFNJPMYHMNMY-CQSZACIVSA-N 2 0 277.412 1.923 10 0 CDAERP CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001667059511 1173228438 /nfs/dbraw/zinc/22/84/38/1173228438.db2.gz QVGVMKHFLHTXIH-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP CC[C@H]([NH2+]C)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000662685207 424313863 /nfs/dbraw/zinc/31/38/63/424313863.db2.gz QBHKSNBXVVBIAU-UONOGXRCSA-N 2 0 277.368 1.284 10 0 CDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000309819294 424456821 /nfs/dbraw/zinc/45/68/21/424456821.db2.gz PALWDLYGYHQIOR-PBHICJAKSA-N 2 0 289.423 1.765 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000659619664 424414891 /nfs/dbraw/zinc/41/48/91/424414891.db2.gz QMPWSZKEEJCYIH-HUUCEWRRSA-N 2 0 296.459 1.533 10 0 CDAERP C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000400953417 424417211 /nfs/dbraw/zinc/41/72/11/424417211.db2.gz YRBTULWUXVBITF-GXTWGEPZSA-N 2 0 267.417 1.352 10 0 CDAERP C[C@@H]1CC[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CS1 ZINC000655698750 424436156 /nfs/dbraw/zinc/43/61/56/424436156.db2.gz WTUCLAWLPUUXAO-UPJWGTAASA-N 2 0 258.431 1.317 10 0 CDAERP C[C@]12C[C@H]1CCC[C@H]2[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665292713 424499357 /nfs/dbraw/zinc/49/93/57/424499357.db2.gz HZWKSQWFPXFJQD-UDZFHETQSA-N 2 0 262.357 1.309 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000655489680 424506032 /nfs/dbraw/zinc/50/60/32/424506032.db2.gz YYFGFWUBOUZDHV-DDTOSNHZSA-N 2 0 295.814 1.796 10 0 CDAERP C[NH+](C)CC(C)(C)NC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000665356707 424550393 /nfs/dbraw/zinc/55/03/93/424550393.db2.gz WOGXJYVAKMOIQA-LBPRGKRZSA-N 2 0 284.448 1.499 10 0 CDAERP O=c1ccc([C@@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)n[nH]1 ZINC000530208413 271151196 /nfs/dbraw/zinc/15/11/96/271151196.db2.gz SNVZTBWMBHLBLL-ZDUSSCGKSA-N 2 0 262.357 1.319 10 0 CDAERP CC(C)[NH+]1CCC([NH2+][C@H]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000360708871 275941389 /nfs/dbraw/zinc/94/13/89/275941389.db2.gz AXRCSXVYWMHPMK-HOTGVXAUSA-N 2 0 282.428 1.787 10 0 CDAERP CC[N@H+](C)CCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000249889306 276305948 /nfs/dbraw/zinc/30/59/48/276305948.db2.gz DCVDBXDAZLFKFD-SOUVJXGZSA-N 2 0 253.434 1.839 10 0 CDAERP CCN(CCC[NH+](CC)CC)C(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000230715188 276323743 /nfs/dbraw/zinc/32/37/43/276323743.db2.gz DILRWYUAPXKNJA-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP C[N@@H+]1CCN(C[C@]2(C)CC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000250798313 277108612 /nfs/dbraw/zinc/10/86/12/277108612.db2.gz NEPIJANKIDIFPY-DLBZAZTESA-N 2 0 273.424 1.975 10 0 CDAERP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH2+]2)[C@@H]1c1ccccc1 ZINC000182835079 277168227 /nfs/dbraw/zinc/16/82/27/277168227.db2.gz SCPSDECTGQWNJB-KKUMJFAQSA-N 2 0 273.380 1.300 10 0 CDAERP Cc1nocc1C[NH2+]CC[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001668309523 1173394217 /nfs/dbraw/zinc/39/42/17/1173394217.db2.gz JKSASDRVMQFGPS-GFCCVEGCSA-N 2 0 294.399 1.063 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CCc3cc[nH]c(=O)c3C2)CC[NH2+]1 ZINC000414759749 278012144 /nfs/dbraw/zinc/01/21/44/278012144.db2.gz PBUNZZZDPBTMPT-VXGBXAGGSA-N 2 0 261.369 1.533 10 0 CDAERP CC1CCC([NH+]2CCN(C(=O)[C@@H]3CC[C@H]([NH3+])C3)CC2)CC1 ZINC000236788451 278522303 /nfs/dbraw/zinc/52/23/03/278522303.db2.gz WJFFOCRZDPJTFN-FYRZTWFESA-N 2 0 293.455 1.837 10 0 CDAERP [NH3+][C@H](CC1CCCCC1)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000335052288 279683710 /nfs/dbraw/zinc/68/37/10/279683710.db2.gz NBNXUIRUVPZURK-NVXWUHKLSA-N 2 0 293.455 1.886 10 0 CDAERP CCC[C@@H](C(=O)N1CCN(CCOC)[C@@H](CC)C1)[NH+](C)C ZINC000245889406 280237182 /nfs/dbraw/zinc/23/71/82/280237182.db2.gz RKRLXKUARROISH-GJZGRUSLSA-N 2 0 299.459 1.286 10 0 CDAERP CC(C)[C@H](CN[C@@H](C1CC1)[C@H]1C[NH2+]CCO1)[NH+]1CCCC1 ZINC000422968768 280254512 /nfs/dbraw/zinc/25/45/12/280254512.db2.gz XOCOOFBXMVVXBL-BBWFWOEESA-N 2 0 295.471 1.463 10 0 CDAERP COC[C@@H](C)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247223869 280323830 /nfs/dbraw/zinc/32/38/30/280323830.db2.gz CXWGZUBUVMDSHC-OLZOCXBDSA-N 2 0 258.406 1.046 10 0 CDAERP C[C@@H]1CC(O)C[C@@H](C)[NH+]1CCC[N@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000248747153 280379468 /nfs/dbraw/zinc/37/94/68/280379468.db2.gz FQWCDUIMRAIDIX-WVCIDPQESA-N 2 0 298.471 1.844 10 0 CDAERP CCN(CC[NH2+]CC=C(C)C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001668430894 1173413510 /nfs/dbraw/zinc/41/35/10/1173413510.db2.gz JIZIAGIECAAKSG-MRXNPFEDSA-N 2 0 293.455 1.733 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417822702 280991561 /nfs/dbraw/zinc/99/15/61/280991561.db2.gz XFZWDFSTDSLFFY-FRRDWIJNSA-N 2 0 265.401 1.118 10 0 CDAERP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000522000259 281082138 /nfs/dbraw/zinc/08/21/38/281082138.db2.gz NYLYSBWPQTULFV-CYBMUJFWSA-N 2 0 297.349 1.475 10 0 CDAERP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@H](O)CC3(O)CCC3)C2)C1 ZINC000528513729 281250596 /nfs/dbraw/zinc/25/05/96/281250596.db2.gz VGDVKZNOPAHSSU-CABCVRRESA-N 2 0 282.428 1.070 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000261627144 288310433 /nfs/dbraw/zinc/31/04/33/288310433.db2.gz HHSJTBAFXXVIDR-KBMXLJTQSA-N 2 0 293.455 1.979 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CC1(C[NH3+])CCCCC1 ZINC000262716954 288320529 /nfs/dbraw/zinc/32/05/29/288320529.db2.gz DTKJTRWFUYCZID-OLZOCXBDSA-N 2 0 267.417 1.400 10 0 CDAERP CC1(C)NC(=O)CC[C@@H]1[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423488290 281384794 /nfs/dbraw/zinc/38/47/94/281384794.db2.gz VEBAMOFIKKEQAY-NEPJUHHUSA-N 2 0 253.390 1.165 10 0 CDAERP CC1(C)NC(=O)CC[C@@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000340475846 281384808 /nfs/dbraw/zinc/38/48/08/281384808.db2.gz BJJYACCCWODYMN-AWEZNQCLSA-N 2 0 281.444 1.899 10 0 CDAERP C[NH+](C)C1CCC([NH2+][C@@H]2CCC(=O)NC2(C)C)CC1 ZINC000334226770 282049231 /nfs/dbraw/zinc/04/92/31/282049231.db2.gz AKYBYIKDBGUNRV-WXRRBKDZSA-N 2 0 267.417 1.506 10 0 CDAERP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000261905763 288688649 /nfs/dbraw/zinc/68/86/49/288688649.db2.gz XGLLSFWOWPKFEZ-POQQGIQPSA-N 2 0 265.401 1.103 10 0 CDAERP C[NH+](C)C1(CNC(=O)[C@H]2[NH2+]CCCC2(C)C)CCCC1 ZINC000234247619 289056943 /nfs/dbraw/zinc/05/69/43/289056943.db2.gz MGQWFZWRZSLMME-CYBMUJFWSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000418543796 289407759 /nfs/dbraw/zinc/40/77/59/289407759.db2.gz HALGEGSNELFXBS-NFAWXSAZSA-N 2 0 296.459 1.356 10 0 CDAERP C[C@H]([NH3+])CC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000037826184 289766232 /nfs/dbraw/zinc/76/62/32/289766232.db2.gz UQIXARQSYSQHCW-LBPRGKRZSA-N 2 0 253.390 1.058 10 0 CDAERP C[NH+]1CCC(C[NH2+]CC2(C)COC2)(N2CCCCC2)CC1 ZINC000367578605 289879070 /nfs/dbraw/zinc/87/90/70/289879070.db2.gz WGDWFIKFHPCUTA-UHFFFAOYSA-N 2 0 295.471 1.563 10 0 CDAERP C[C@H](O)CCC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000336835043 290070004 /nfs/dbraw/zinc/07/00/04/290070004.db2.gz TYMDUECXYNWUOZ-JKSUJKDBSA-N 2 0 283.460 1.249 10 0 CDAERP COCC(C)(C)CC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000556822696 290304086 /nfs/dbraw/zinc/30/40/86/290304086.db2.gz APSILKYKCSXLFO-UHFFFAOYSA-N 2 0 287.448 1.001 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCCN[C@H]1CCC[NH2+]CC1 ZINC000252785137 290388130 /nfs/dbraw/zinc/38/81/30/290388130.db2.gz OXLGHPHUOJIEPH-GJZGRUSLSA-N 2 0 253.434 1.983 10 0 CDAERP CCC[C@@H](C(=O)NCC[NH+]1CCCCC1)[NH+](C)C ZINC000161589024 292809151 /nfs/dbraw/zinc/80/91/51/292809151.db2.gz IENWXMQTUXSCQM-ZDUSSCGKSA-N 2 0 255.406 1.319 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NCCC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000561156935 293056157 /nfs/dbraw/zinc/05/61/57/293056157.db2.gz XZLBBGQYQVJOMQ-HRCADAONSA-N 2 0 295.471 1.812 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000562814624 293203602 /nfs/dbraw/zinc/20/36/02/293203602.db2.gz OLKASDOSEWUMSL-DZKIICNBSA-N 2 0 294.443 1.289 10 0 CDAERP COC[C@]1(C[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)CCC[NH2+]1 ZINC000423417987 293294286 /nfs/dbraw/zinc/29/42/86/293294286.db2.gz TWVGXUOJTOKERP-APIJFGDWSA-N 2 0 252.402 1.923 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000565894398 293706007 /nfs/dbraw/zinc/70/60/07/293706007.db2.gz MOPXKWQOKBAJAZ-LNSITVRQSA-N 2 0 273.380 1.069 10 0 CDAERP CC[NH+](CC)CC(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000568150572 293958137 /nfs/dbraw/zinc/95/81/37/293958137.db2.gz MTNIVMUWUYWBMX-UHFFFAOYSA-N 2 0 253.390 1.058 10 0 CDAERP C[C@H]1CC([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C[C@H](C)C1 ZINC000568751084 294094126 /nfs/dbraw/zinc/09/41/26/294094126.db2.gz XRCBOTZUVYMSHM-FMKPAKJESA-N 2 0 283.460 1.009 10 0 CDAERP CCC[NH+]1CCC(C[NH2+]C[C@H](O)CCOCC)CC1 ZINC000571158083 294378391 /nfs/dbraw/zinc/37/83/91/294378391.db2.gz UKXZNZDHUIYFKY-OAHLLOKOSA-N 2 0 272.433 1.486 10 0 CDAERP [NH2+]=C(NO)[C@H]1CCCCN1CC[NH+]1CCCCC1 ZINC000368629969 295007164 /nfs/dbraw/zinc/00/71/64/295007164.db2.gz AZQSEMQTAUBUEI-GFCCVEGCSA-N 2 0 254.378 1.283 10 0 CDAERP [NH3+]CC1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000237806907 295224511 /nfs/dbraw/zinc/22/45/11/295224511.db2.gz RNCIBTLHJLLFBW-RDBSUJKOSA-N 2 0 265.401 1.104 10 0 CDAERP [NH3+]CCCCCCC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000377587054 295227726 /nfs/dbraw/zinc/22/77/26/295227726.db2.gz LSXDUANRQHTLNX-HNNXBMFYSA-N 2 0 267.417 1.498 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000062973032 295277990 /nfs/dbraw/zinc/27/79/90/295277990.db2.gz GJMWOWOIVPEHFL-OAHLLOKOSA-N 2 0 273.380 1.456 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)C1 ZINC000333671572 295321818 /nfs/dbraw/zinc/32/18/18/295321818.db2.gz YJFQMSDVWRGWRX-RRFJBIMHSA-N 2 0 273.380 1.287 10 0 CDAERP CSCC[C@H]([NH3+])C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000378236497 295604402 /nfs/dbraw/zinc/60/44/02/295604402.db2.gz YMUIWYASKGJQSD-RWMBFGLXSA-N 2 0 285.457 1.057 10 0 CDAERP O=C(NCC[NH+]1CCCC1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000222972627 295645688 /nfs/dbraw/zinc/64/56/88/295645688.db2.gz GIMUZAGLKMWKML-IHRRRGAJSA-N 2 0 265.401 1.119 10 0 CDAERP C[C@H](C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000312964021 298078171 /nfs/dbraw/zinc/07/81/71/298078171.db2.gz UJPLDDXGAGWRKV-XLWJZTARSA-N 2 0 279.428 1.316 10 0 CDAERP C[C@H](C[NH2+]CC1CCC1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001669329009 1173538162 /nfs/dbraw/zinc/53/81/62/1173538162.db2.gz WZSYTIKDQDKDDI-OCCSQVGLSA-N 2 0 267.417 1.365 10 0 CDAERP [NH3+][C@@H](CNC(=O)NCC[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000418345978 303449104 /nfs/dbraw/zinc/44/91/04/303449104.db2.gz MDODMDFHMCWXIY-HIFRSBDPSA-N 2 0 290.411 1.375 10 0 CDAERP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC000563396508 316290255 /nfs/dbraw/zinc/29/02/55/316290255.db2.gz PAVGKZWFWAHMJF-CHWSQXEVSA-N 2 0 255.406 1.173 10 0 CDAERP C[C@H](CCNC(=O)N1CC[C@H]([NH+](C)C)C1)[NH+]1CCCCC1 ZINC000182662066 323292497 /nfs/dbraw/zinc/29/24/97/323292497.db2.gz VUDJJPFWWNKHNV-CABCVRRESA-N 2 0 296.459 1.596 10 0 CDAERP C[C@H](CNC(=O)N(C)CCC[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000185769107 323396294 /nfs/dbraw/zinc/39/62/94/323396294.db2.gz JGEJMRGAQMFZEE-OAHLLOKOSA-N 2 0 298.475 1.700 10 0 CDAERP COCCN1CCC([NH2+]C[C@H](O)CC2CCCC2)CC1 ZINC000578979921 324070439 /nfs/dbraw/zinc/07/04/39/324070439.db2.gz MQZSOIHXJDAYMG-MRXNPFEDSA-N 2 0 284.444 1.628 10 0 CDAERP CCC[C@H]1C[NH2+]CCN1C(=O)NCC1([NH3+])CCCCCC1 ZINC000579690000 324252803 /nfs/dbraw/zinc/25/28/03/324252803.db2.gz DTBFDPDHGWRFBT-AWEZNQCLSA-N 2 0 296.459 1.822 10 0 CDAERP CN1CCN(Cc2cc(-c3ccccc3)n[nH]2)[C@H](C[NH3+])C1 ZINC000582606245 325007531 /nfs/dbraw/zinc/00/75/31/325007531.db2.gz KXVJETODCAFVIV-OAHLLOKOSA-N 2 0 285.395 1.151 10 0 CDAERP C[C@@H]1CN(C(=O)c2ccccc2CC[NH3+])C[C@@]1(C)C[NH3+] ZINC000583448110 325177502 /nfs/dbraw/zinc/17/75/02/325177502.db2.gz DNLTWODBWIEISO-MLGOLLRUSA-N 2 0 275.396 1.245 10 0 CDAERP CCOCC[C@H](O)C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000583689111 325221835 /nfs/dbraw/zinc/22/18/35/325221835.db2.gz UGMLTYDNOQRRTR-HNNXBMFYSA-N 2 0 298.402 1.764 10 0 CDAERP CC(C)C[C@H]([NH3+])c1noc(C[C@H]2CSCC[NH2+]2)n1 ZINC000583752513 325234449 /nfs/dbraw/zinc/23/44/49/325234449.db2.gz NDTCHQMPDFFWRO-UWVGGRQHSA-N 2 0 270.402 1.363 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc2cnn(C)c2c1 ZINC000584523971 329511074 /nfs/dbraw/zinc/51/10/74/329511074.db2.gz RVVASPOGBSDYQB-AWEZNQCLSA-N 2 0 276.384 1.417 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001731319090 1159289494 /nfs/dbraw/zinc/28/94/94/1159289494.db2.gz AMJCSGDBCBWUDY-LSDHHAIUSA-N 2 0 281.444 1.851 10 0 CDAERP CCCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001731658479 1159323497 /nfs/dbraw/zinc/32/34/97/1159323497.db2.gz BYCZHSXARNGALF-RBSFLKMASA-N 2 0 281.444 1.565 10 0 CDAERP CN(CCC[NH2+]CCC(C)(C)C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001699500263 1159791451 /nfs/dbraw/zinc/79/14/51/1159791451.db2.gz RDGRNVDEFZRXKK-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H](C)Cc1c[nH]cn1)[NH2+]CCF ZINC001481858122 1159951334 /nfs/dbraw/zinc/95/13/34/1159951334.db2.gz QSIDOPZBKGKRNT-QWRGUYRKSA-N 2 0 270.352 1.042 10 0 CDAERP C[C@@H](O)C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)C1CC1 ZINC000668298502 482359112 /nfs/dbraw/zinc/35/91/12/482359112.db2.gz ATCIQUTZNVKTPU-GFCCVEGCSA-N 2 0 272.352 1.613 10 0 CDAERP CN(Cc1ccnn1-c1cc[nH+]cc1)C[C@@H]1COCCO1 ZINC000668546574 482473531 /nfs/dbraw/zinc/47/35/31/482473531.db2.gz CRZPRZLTHXWYDD-OAHLLOKOSA-N 2 0 288.351 1.115 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000672876884 482627180 /nfs/dbraw/zinc/62/71/80/482627180.db2.gz KMAKHUPIDXHPNO-JKSUJKDBSA-N 2 0 293.455 1.851 10 0 CDAERP [NH3+][C@H](Cc1ccccc1)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334358584 482720771 /nfs/dbraw/zinc/72/07/71/482720771.db2.gz SXNFEJYNSLFOIX-WBVHZDCISA-N 2 0 287.407 1.159 10 0 CDAERP C[C@H]([NH2+]C[C@@H](O)CN(C)Cc1ccccc1)[C@H]1CCOC1 ZINC000681220847 482749138 /nfs/dbraw/zinc/74/91/38/482749138.db2.gz JEEIYANOCULTLL-BHYGNILZSA-N 2 0 292.423 1.494 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]2COCC[C@H]21 ZINC000659996822 482805039 /nfs/dbraw/zinc/80/50/39/482805039.db2.gz DOZUVTFRQAHHAJ-SOUVJXGZSA-N 2 0 270.417 1.188 10 0 CDAERP Cn1cc(CC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cn1 ZINC000228333860 482820560 /nfs/dbraw/zinc/82/05/60/482820560.db2.gz BAJZQFOBLHFHLF-GJZGRUSLSA-N 2 0 262.401 1.427 10 0 CDAERP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H]2CCC[NH+](C)C2)C[C@@H]1C ZINC000677962095 482866829 /nfs/dbraw/zinc/86/68/29/482866829.db2.gz JACMDUNYFXTTTI-MELADBBJSA-N 2 0 282.432 1.205 10 0 CDAERP COC[C@H](CC1CCOCC1)[NH2+][C@@H]1CCN(CC2CC2)C1 ZINC000657875166 482907919 /nfs/dbraw/zinc/90/79/19/482907919.db2.gz ATMIUDZKAZGRDG-SJORKVTESA-N 2 0 296.455 1.892 10 0 CDAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CCC[NH+](C)C1 ZINC000674616812 483068238 /nfs/dbraw/zinc/06/82/38/483068238.db2.gz CPBHRGPSRHRRQF-ZNMIVQPWSA-N 2 0 294.443 1.349 10 0 CDAERP CC1CC[NH+](CCNC(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089459302 483085917 /nfs/dbraw/zinc/08/59/17/483085917.db2.gz YMJVNQGGQIVRGU-UONOGXRCSA-N 2 0 267.417 1.210 10 0 CDAERP CC(C)[C@H]([NH3+])CNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000667148687 483110650 /nfs/dbraw/zinc/11/06/50/483110650.db2.gz NSTUENGSYYQDGS-CYBMUJFWSA-N 2 0 288.355 1.372 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000221716066 483344784 /nfs/dbraw/zinc/34/47/84/483344784.db2.gz DRSYCJNYRGNSGI-LSDHHAIUSA-N 2 0 275.396 1.677 10 0 CDAERP C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)C[C@@H]1CCC[C@@H]1O ZINC000667695982 483385121 /nfs/dbraw/zinc/38/51/21/483385121.db2.gz INAHEUCKYIUSFO-BBRMVZONSA-N 2 0 286.379 1.860 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000136408181 483402655 /nfs/dbraw/zinc/40/26/55/483402655.db2.gz PTJBMMCWSNPYPU-OAHLLOKOSA-N 2 0 281.444 1.694 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CCCC(C)(C)C2)C1 ZINC000683542320 483575074 /nfs/dbraw/zinc/57/50/74/483575074.db2.gz GFBJLVLMLFGNMV-CQSZACIVSA-N 2 0 296.459 1.502 10 0 CDAERP C[NH+](C)CC1(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCCF)C2)CC1 ZINC001691621728 1160719237 /nfs/dbraw/zinc/71/92/37/1160719237.db2.gz ZJJWDGZYMNOTTB-UONOGXRCSA-N 2 0 299.434 1.562 10 0 CDAERP CC(C)(C)[NH+]1CCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000055090597 518710314 /nfs/dbraw/zinc/71/03/14/518710314.db2.gz ZKJMQJYSIFEFLC-QWHCGFSZSA-N 2 0 267.417 1.447 10 0 CDAERP C[C@@H](C[NH2+]CCCC1CCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001483293971 1160893295 /nfs/dbraw/zinc/89/32/95/1160893295.db2.gz PLTJZGBZKDRGIK-DZGCQCFKSA-N 2 0 281.444 1.613 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@@H](C[NH+]2CCSCC2)O1 ZINC000052443283 519937817 /nfs/dbraw/zinc/93/78/17/519937817.db2.gz LBWBPMMWFWFRET-OLZOCXBDSA-N 2 0 258.431 1.582 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000062076643 519962896 /nfs/dbraw/zinc/96/28/96/519962896.db2.gz OKLFFVJTZLLXCC-STQMWFEESA-N 2 0 255.406 1.080 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000061227597 519961758 /nfs/dbraw/zinc/96/17/58/519961758.db2.gz BJKUTEGKPNCGNQ-KBPBESRZSA-N 2 0 269.433 1.613 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@H](C[NH+]2CCC(C[NH+](C)C)CC2)O1 ZINC000052515438 519981582 /nfs/dbraw/zinc/98/15/82/519981582.db2.gz GIDBAYYOUOOEIT-HZPDHXFCSA-N 3 0 283.460 1.417 10 0 CDAERP CCCCOCCOC[C@H](O)C[NH2+][C@@H](C)CC[NH+](C)C ZINC000049557215 520789276 /nfs/dbraw/zinc/78/92/76/520789276.db2.gz PONKUMDVVAXVRW-LSDHHAIUSA-N 2 0 290.448 1.110 10 0 CDAERP CCCN(CC[NH+](C)C)Cc1cc(C[NH2+]C(C)C)no1 ZINC000052544198 521656903 /nfs/dbraw/zinc/65/69/03/521656903.db2.gz SJMIEUWNIYMQBT-UHFFFAOYSA-N 2 0 282.432 1.946 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001714003944 1178923120 /nfs/dbraw/zinc/92/31/20/1178923120.db2.gz DIVIUPJPSCAUGP-UPJWGTAASA-N 2 0 255.406 1.221 10 0 CDAERP CCCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CC[NH+](C)C ZINC001715555769 1179714685 /nfs/dbraw/zinc/71/46/85/1179714685.db2.gz ILDNHCMFRPSKLV-ZIAGYGMSSA-N 2 0 269.433 1.613 10 0 CDAERP C[NH2+]CC1(C[N@H+](CCO)C2CCCCC2)CCOCC1 ZINC000052183198 521967993 /nfs/dbraw/zinc/96/79/93/521967993.db2.gz NSGJWLRTAYTVAP-UHFFFAOYSA-N 2 0 284.444 1.630 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000111253079 521971264 /nfs/dbraw/zinc/97/12/64/521971264.db2.gz YLHLHDHDGXPNBQ-CYBMUJFWSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001725112542 1181867865 /nfs/dbraw/zinc/86/78/65/1181867865.db2.gz WROKXJNFJJNYOM-QWHCGFSZSA-N 2 0 257.422 1.467 10 0 CDAERP CC[NH+](CC)CCNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000416789237 535532738 /nfs/dbraw/zinc/53/27/38/535532738.db2.gz JTWZGJMWXQYGJV-OAHLLOKOSA-N 2 0 282.432 1.113 10 0 CDAERP CC[C@@H](C)C[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001731987408 1182716602 /nfs/dbraw/zinc/71/66/02/1182716602.db2.gz FKLAQASMERSAPF-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)c2coc(C[NH3+])c2)CC1 ZINC000188117133 519843073 /nfs/dbraw/zinc/84/30/73/519843073.db2.gz FNMBVKWTNPAGMU-UHFFFAOYSA-N 2 0 279.384 1.590 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)N1CC[NH+](CCC(C)C)CC1 ZINC000061296466 519904662 /nfs/dbraw/zinc/90/46/62/519904662.db2.gz IIHTVQSOGLRKNH-UHFFFAOYSA-N 2 0 269.433 1.565 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000061293544 519907276 /nfs/dbraw/zinc/90/72/76/519907276.db2.gz RROSQJIRVFFUBB-UHFFFAOYSA-N 2 0 293.411 1.954 10 0 CDAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1nccn1C ZINC000054628887 519908693 /nfs/dbraw/zinc/90/86/93/519908693.db2.gz UXMHDPHDHXWVSB-GOOCMWNKSA-N 2 0 276.428 1.958 10 0 CDAERP CCC[NH2+]CCC[C@@H](C)[NH+]1CCN(c2ncccn2)CC1 ZINC000052418498 519912994 /nfs/dbraw/zinc/91/29/94/519912994.db2.gz VHAQXRURMGWNIA-OAHLLOKOSA-N 2 0 291.443 1.767 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@@H](C[N@H+](CC)[C@@H](C)COC)O1 ZINC000052505032 519937181 /nfs/dbraw/zinc/93/71/81/519937181.db2.gz KBMWXGBFASOPIA-ZNMIVQPWSA-N 2 0 272.433 1.890 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000061267005 519962134 /nfs/dbraw/zinc/96/21/34/519962134.db2.gz OOUTXAGZSYHDBV-ZDUSSCGKSA-N 2 0 269.433 1.613 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000061267214 519963132 /nfs/dbraw/zinc/96/31/32/519963132.db2.gz VFDYHKBRAIDLMC-UONOGXRCSA-N 2 0 269.433 1.469 10 0 CDAERP CC[NH2+]C[C@](C)(CC)CN1CCN(CC[NH+](C)C)CC1 ZINC000061653739 519980986 /nfs/dbraw/zinc/98/09/86/519980986.db2.gz ZBXXXTPKJRDHEG-INIZCTEOSA-N 2 0 284.492 1.191 10 0 CDAERP CC[NH2+]Cc1ccc(N2CC[NH+](CC(C)C)CC2)nc1 ZINC000055082471 519997500 /nfs/dbraw/zinc/99/75/00/519997500.db2.gz OIKVESKGYKVAKV-UHFFFAOYSA-N 2 0 276.428 1.969 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000061272824 520163665 /nfs/dbraw/zinc/16/36/65/520163665.db2.gz HNSHDRBOPDPGDU-CQSZACIVSA-N 2 0 281.444 1.851 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000061271124 520165991 /nfs/dbraw/zinc/16/59/91/520165991.db2.gz FJQNZQBHFWEQAR-LLVKDONJSA-N 2 0 253.390 1.118 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NC1CC[NH+](CC)CC1 ZINC000337320468 520852771 /nfs/dbraw/zinc/85/27/71/520852771.db2.gz ISDPMBQUSIZRKR-CYBMUJFWSA-N 2 0 284.448 1.500 10 0 CDAERP CC1CC[NH+](CCNC(=O)C[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000055136683 521010059 /nfs/dbraw/zinc/01/00/59/521010059.db2.gz PSUQJBOFCJSMFV-HUUCEWRRSA-N 2 0 281.444 1.742 10 0 CDAERP CC[NH+]1CCC(C[NH3+])(N2CCC(COC)CC2)CC1 ZINC000070080409 521549509 /nfs/dbraw/zinc/54/95/09/521549509.db2.gz ZTVHBZJCRRFGLB-UHFFFAOYSA-N 2 0 269.433 1.158 10 0 CDAERP CC[NH+]1CCN(c2cccc(Cl)c2C(N)=[NH2+])CC1 ZINC000052904772 521699704 /nfs/dbraw/zinc/69/97/04/521699704.db2.gz GVXDMAHQKNCWFT-UHFFFAOYSA-N 2 0 266.776 1.766 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C1(C[NH3+])Cc2ccccc2C1 ZINC000061642735 521834063 /nfs/dbraw/zinc/83/40/63/521834063.db2.gz VSBAUJVOMCOENK-INIZCTEOSA-N 2 0 273.424 1.509 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1[C@@H](C[NH3+])c1cccs1 ZINC000061642085 521873975 /nfs/dbraw/zinc/87/39/75/521873975.db2.gz NTBIPQQILIHVGX-NEPJUHHUSA-N 2 0 253.415 1.774 10 0 CDAERP C[NH+](C)[C@@H]1CCN([C@@H](C[NH3+])c2ccc3c(c2)CCO3)C1 ZINC000062964511 522052064 /nfs/dbraw/zinc/05/20/64/522052064.db2.gz MLXKWVCDAKRMCL-CABCVRRESA-N 2 0 275.396 1.257 10 0 CDAERP C[NH2+]C[C@H]1CC[C@H](C[N@H+](C)CC2CC[NH+](C)CC2)O1 ZINC000063124181 522095294 /nfs/dbraw/zinc/09/52/94/522095294.db2.gz SJOFUZIGBHEEFY-HUUCEWRRSA-N 3 0 269.433 1.027 10 0 CDAERP C[NH2+]Cc1cc(C[N@H+](CCOC)[C@@H](C)COC)oc1C ZINC000052572322 522105893 /nfs/dbraw/zinc/10/58/93/522105893.db2.gz URSQRPAQXPNJCW-LBPRGKRZSA-N 2 0 284.400 1.791 10 0 CDAERP C[NH2+]Cc1cc(C[N@H+](CCCOC)CCOC)c(C)o1 ZINC000052543315 522108755 /nfs/dbraw/zinc/10/87/55/522108755.db2.gz OUDDWIKRHKKBGH-UHFFFAOYSA-N 2 0 284.400 1.792 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(CC2(C[NH3+])CCCC2)CC1 ZINC000055072102 522119135 /nfs/dbraw/zinc/11/91/35/522119135.db2.gz PYGDIIUPDQGYGL-CQSZACIVSA-N 2 0 253.434 1.922 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(Cc2ccc[nH+]c2NN)CC1 ZINC000055071332 522125480 /nfs/dbraw/zinc/12/54/80/522125480.db2.gz GOESWZQIPFXPRZ-GFCCVEGCSA-N 2 0 263.389 1.283 10 0 CDAERP CC[C@@H](C)[NH+]1CCN([C@@H](C[NH3+])C2CCOCC2)CC1 ZINC000055064391 522129717 /nfs/dbraw/zinc/12/97/17/522129717.db2.gz UEWVLSSPUQATSM-HIFRSBDPSA-N 2 0 269.433 1.156 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(c2c(C[NH3+])c(C)nn2C)CC1 ZINC000055068624 522134869 /nfs/dbraw/zinc/13/48/69/522134869.db2.gz FKVSHFNPCJQKNW-LLVKDONJSA-N 2 0 265.405 1.108 10 0 CDAERP C[NH2+]Cc1ccoc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515280 522139379 /nfs/dbraw/zinc/13/93/79/522139379.db2.gz KBPVORPVCKRKMX-UHFFFAOYSA-N 3 0 265.401 1.773 10 0 CDAERP C[NH2+]Cc1cn(CC[N@H+](C)[C@H](C)CC(C)C)nn1 ZINC000052571924 522143488 /nfs/dbraw/zinc/14/34/88/522143488.db2.gz HYEWNBOIDAQSMO-GFCCVEGCSA-N 2 0 253.394 1.364 10 0 CDAERP C[NH2+]Cc1sc(N2CC[C@@H]([NH+](C)C)C2)nc1C1CC1 ZINC000069182577 522168930 /nfs/dbraw/zinc/16/89/30/522168930.db2.gz IVBSXFWGTGGRLY-LLVKDONJSA-N 2 0 280.441 1.880 10 0 CDAERP CC[C@@H](CC[NH3+])[NH+]1CCN(CCOCC(F)(F)F)CC1 ZINC000049310724 522496406 /nfs/dbraw/zinc/49/64/06/522496406.db2.gz IYKQMXCEQSFTGA-LBPRGKRZSA-N 2 0 297.365 1.310 10 0 CDAERP COCCC[N@H+](C)[C@H]1CCC[NH+](CCCOC)CC1 ZINC000156956755 523231699 /nfs/dbraw/zinc/23/16/99/523231699.db2.gz MLGZOCUYWDOGHB-HNNXBMFYSA-N 2 0 272.433 1.846 10 0 CDAERP COCC[NH+](CCOC)[C@H](CC[NH3+])c1ccccc1 ZINC000055016110 523723291 /nfs/dbraw/zinc/72/32/91/523723291.db2.gz QOOOYOBOJARLSJ-OAHLLOKOSA-N 2 0 266.385 1.671 10 0 CDAERP COCC[N@H+](C[C@@H](C)C[NH2+]C(C)(C)C)[C@@H](C)COC ZINC000052572300 523730524 /nfs/dbraw/zinc/73/05/24/523730524.db2.gz HVKWOEYPEHBIOH-KBPBESRZSA-N 2 0 274.449 1.994 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000052497301 523817254 /nfs/dbraw/zinc/81/72/54/523817254.db2.gz FYVPZJNTZHSAIB-GFCCVEGCSA-N 2 0 296.459 1.689 10 0 CDAERP CC[C@H](C)[NH+]1CCN(CC[NH2+][C@@H](C)[C@@H]2CCCO2)CC1 ZINC000055075439 523954239 /nfs/dbraw/zinc/95/42/39/523954239.db2.gz AULOYGHAGVFAGC-JYJNAYRXSA-N 2 0 283.460 1.560 10 0 CDAERP C[NH+](C)CC(C)(C)CN1CC[C@@H](C[NH2+]C2CC2)C1 ZINC000053010815 524045850 /nfs/dbraw/zinc/04/58/50/524045850.db2.gz CYNWIWRLIUZDHQ-ZDUSSCGKSA-N 2 0 253.434 1.648 10 0 CDAERP C[NH+](C)CC1CC[NH+](CCCC[NH2+]C2CC2)CC1 ZINC000052515180 524049746 /nfs/dbraw/zinc/04/97/46/524049746.db2.gz YHSGJHNZTGGRPP-UHFFFAOYSA-N 3 0 253.434 1.792 10 0 CDAERP C[C@@H](C(=O)N[C@H](C[NH+](C)C)c1ccccc1)C1C[NH2+]C1 ZINC000164385075 524233931 /nfs/dbraw/zinc/23/39/31/524233931.db2.gz MQIFPLYLLAJABC-IUODEOHRSA-N 2 0 275.396 1.261 10 0 CDAERP C[C@H]1CC[C@@H](C(=O)NCC(C)(C)C[NH+](C)C)C[C@@H]1[NH3+] ZINC000055125285 524332513 /nfs/dbraw/zinc/33/25/13/524332513.db2.gz ZVUWGUBITVCZCB-XQQFMLRXSA-N 2 0 269.433 1.454 10 0 CDAERP C[C@@H](CC[NH+](C)C)[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000049557265 524473527 /nfs/dbraw/zinc/47/35/27/524473527.db2.gz VLCJWAGYIFWQSU-FZMZJTMJSA-N 2 0 254.349 1.789 10 0 CDAERP CC[N@H+]1CC=C(CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001677613031 1174380541 /nfs/dbraw/zinc/38/05/41/1174380541.db2.gz XMUXGIKHQMTSAU-UHFFFAOYSA-N 2 0 279.428 1.487 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CC[NH+](C3CCCC3)CC2)CC[C@@H]1[NH3+] ZINC000055132594 524768032 /nfs/dbraw/zinc/76/80/32/524768032.db2.gz LQLDPIFFCCJIGF-DZKIICNBSA-N 2 0 293.455 1.837 10 0 CDAERP C[C@@H]([NH3+])[C@@H](N1CCC[C@@H]1C[NH+](C)C)C(F)(F)F ZINC000061642256 525003752 /nfs/dbraw/zinc/00/37/52/525003752.db2.gz SLNGSIDXJNGLKS-OPRDCNLKSA-N 2 0 253.312 1.291 10 0 CDAERP C[C@@H]([NH3+])c1cccc(S(=O)(=O)N[C@@H](C)CC[NH+](C)C)c1 ZINC000049560565 525030430 /nfs/dbraw/zinc/03/04/30/525030430.db2.gz DWCUKZYCYKJSAO-NWDGAFQWSA-N 2 0 299.440 1.325 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCC[C@@H]1C(=O)NCC[NH+]1CCCCC1 ZINC000055138362 525086517 /nfs/dbraw/zinc/08/65/17/525086517.db2.gz VEGVPHDOENLACX-RDBSUJKOSA-N 2 0 267.417 1.352 10 0 CDAERP c1coc(C[N@@H+](CCN2CCC[NH2+]CC2)C2CC2)c1 ZINC000061275548 526565732 /nfs/dbraw/zinc/56/57/32/526565732.db2.gz OZXXDNXWEKSXMQ-UHFFFAOYSA-N 2 0 263.385 1.539 10 0 CDAERP NC(=[NH2+])c1ncccc1C[N@@H+]1CCC[C@@H]1CCCO ZINC000061658412 526824147 /nfs/dbraw/zinc/82/41/47/526824147.db2.gz ALMMQGAVOZMBJW-GFCCVEGCSA-N 2 0 262.357 1.103 10 0 CDAERP [NH3+]Cc1cccnc1N1CC[NH+](C2CCCC2)CC1 ZINC000052048824 527261045 /nfs/dbraw/zinc/26/10/45/527261045.db2.gz OIQMYAJQTJPYDJ-UHFFFAOYSA-N 2 0 260.385 1.605 10 0 CDAERP CC(C)C[C@@H](C[NH3+])NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000417931951 528300759 /nfs/dbraw/zinc/30/07/59/528300759.db2.gz LSRFHGZJDXMHBI-NRXISQOPSA-N 2 0 298.475 1.779 10 0 CDAERP CC(C)C[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)[NH+](C)C ZINC000251350080 535312262 /nfs/dbraw/zinc/31/22/62/535312262.db2.gz BFIJPZHACZSZIM-FPCVCCKLSA-N 2 0 295.471 2.000 10 0 CDAERP C[N@H+](CCC(=O)N[C@@H]1CCC[NH+](C)C1)C1CCCCC1 ZINC000684164615 545568972 /nfs/dbraw/zinc/56/89/72/545568972.db2.gz ZROIAIMNZDSZDP-CQSZACIVSA-N 2 0 281.444 1.851 10 0 CDAERP CNC(=O)C(C)(C)C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925604755 678259253 /nfs/dbraw/zinc/25/92/53/678259253.db2.gz AVIZGGBWTNYQRM-WDEREUQCSA-N 2 0 255.406 1.254 10 0 CDAERP C[NH+](C)CCOCC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925649598 617591687 /nfs/dbraw/zinc/59/16/87/617591687.db2.gz LRCMBKQXNFXDIL-OLZOCXBDSA-N 3 0 257.422 1.060 10 0 CDAERP CC(C)CC[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001689811177 1175267087 /nfs/dbraw/zinc/26/70/87/1175267087.db2.gz ZVOAJBYPLXXGCD-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1CC)C1CC1 ZINC001690014602 1175345774 /nfs/dbraw/zinc/34/57/74/1175345774.db2.gz JRGBPEYZHYQDJQ-HNNXBMFYSA-N 2 0 281.444 1.851 10 0 CDAERP CC(C)C[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001690180255 1175395970 /nfs/dbraw/zinc/39/59/70/1175395970.db2.gz POEBSOBQDLOJBR-AWEZNQCLSA-N 2 0 267.417 1.223 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCOC23CCOCC3)C1 ZINC000926665680 617425126 /nfs/dbraw/zinc/42/51/26/617425126.db2.gz KDNBKFFFMPPKBZ-MJBXVCDLSA-N 2 0 268.401 1.254 10 0 CDAERP [NH3+][C@H]1C[C@H]([NH2+]CCc2nnc3n2CCCCC3)C12CCC2 ZINC000925533678 617467324 /nfs/dbraw/zinc/46/73/24/617467324.db2.gz OCFVKHHVJYJHMO-STQMWFEESA-N 2 0 289.427 1.407 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925552299 617501020 /nfs/dbraw/zinc/50/10/20/617501020.db2.gz JMDYVFNYPFODNP-OSFYFWSMSA-N 2 0 265.445 1.965 10 0 CDAERP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)C[C@H](C)O1 ZINC000925569360 617517918 /nfs/dbraw/zinc/51/79/18/617517918.db2.gz PQJOQZZVSGHMFF-XUWVNRHRSA-N 3 0 295.471 1.735 10 0 CDAERP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccnnc1 ZINC000926203213 617517156 /nfs/dbraw/zinc/51/71/56/617517156.db2.gz VWSBTERWWUMGCC-UONOGXRCSA-N 2 0 277.416 1.153 10 0 CDAERP NC(=O)c1cccc(CC[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925591320 617537607 /nfs/dbraw/zinc/53/76/07/617537607.db2.gz APFDEHFRSTWMNA-KGLIPLIRSA-N 2 0 273.380 1.188 10 0 CDAERP COC[C@](C)(O)C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925614645 617559380 /nfs/dbraw/zinc/55/93/80/617559380.db2.gz ZHKLTZCMGGBJEP-RRFJBIMHSA-N 2 0 270.417 1.142 10 0 CDAERP CC[C@@H](C[C@@H](C)O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000926816512 617594402 /nfs/dbraw/zinc/59/44/02/617594402.db2.gz NIGCHOGCFLFXDX-FVPDABNVSA-N 2 0 284.444 1.767 10 0 CDAERP CC(C)S(=O)(=O)CC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925669202 617626891 /nfs/dbraw/zinc/62/68/91/617626891.db2.gz QMYVTFXYRARRCT-VXGBXAGGSA-N 2 0 276.446 1.305 10 0 CDAERP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)C1(S(C)(=O)=O)CC1 ZINC000925669305 617626904 /nfs/dbraw/zinc/62/69/04/617626904.db2.gz AGUBDXXSLQCYQA-SDDRHHMPSA-N 2 0 288.457 1.448 10 0 CDAERP [NH3+][C@H](CN[C@@H]1CC[NH2+]C12CCCC2)c1ccccc1 ZINC000925695278 617717970 /nfs/dbraw/zinc/71/79/70/617717970.db2.gz VMFMZDOBWLEPSJ-HUUCEWRRSA-N 2 0 259.397 1.951 10 0 CDAERP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000925803082 617738570 /nfs/dbraw/zinc/73/85/70/617738570.db2.gz VHBNHVSFBRENED-PMTDCRIQSA-N 2 0 252.402 1.765 10 0 CDAERP C[N@H+]1CC=C(C[NH2+][C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000925711497 617807889 /nfs/dbraw/zinc/80/78/89/617807889.db2.gz ZRXZGIFIWSVUSW-HZPDHXFCSA-N 2 0 263.429 1.855 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000925827586 617841489 /nfs/dbraw/zinc/84/14/89/617841489.db2.gz AFRQWGDRKZAMEV-QJPTWQEYSA-N 2 0 298.349 1.830 10 0 CDAERP COC(=O)N(C)CC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925718707 617841916 /nfs/dbraw/zinc/84/19/16/617841916.db2.gz ZSPBHBQBSQXBCH-KGLIPLIRSA-N 2 0 283.416 1.443 10 0 CDAERP C[NH+](C)CC[C@H](N[C@H]1CCC[C@@H]1C[NH3+])c1cccnc1 ZINC000925828366 617844400 /nfs/dbraw/zinc/84/44/00/617844400.db2.gz WVZVROIBMPKVPZ-KBMXLJTQSA-N 2 0 276.428 1.791 10 0 CDAERP C[C@@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000925833379 617859070 /nfs/dbraw/zinc/85/90/70/617859070.db2.gz HIEXRLSWPBQICP-MXWKQRLJSA-N 2 0 267.339 1.599 10 0 CDAERP C[C@@H]1C[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CCS1 ZINC000925854755 617892491 /nfs/dbraw/zinc/89/24/91/617892491.db2.gz AZHSSVLLZDQGSH-BWALOOPLSA-N 2 0 252.427 1.857 10 0 CDAERP C[NH+](C)CCCN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925503697 618157615 /nfs/dbraw/zinc/15/76/15/618157615.db2.gz OXWYGFODJYDNKF-HUUCEWRRSA-N 2 0 253.434 1.696 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CC2(C(N)=O)CCCC2)C1 ZINC000925506148 618179652 /nfs/dbraw/zinc/17/96/52/618179652.db2.gz XUGRSDKRQQCZFG-RYUDHWBXSA-N 2 0 267.417 1.528 10 0 CDAERP c1cc(CCCN2CC[NH2+]CC[NH2+]CC2)cs1 ZINC000923459720 618341000 /nfs/dbraw/zinc/34/10/00/618341000.db2.gz MVMMXDMSQOYHED-UHFFFAOYSA-N 2 0 253.415 1.176 10 0 CDAERP C[C@H]([NH2+]C1CC1)C(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000841848573 618718758 /nfs/dbraw/zinc/71/87/58/618718758.db2.gz MXBKCKLFTFJYSH-NSHDSACASA-N 2 0 273.380 1.565 10 0 CDAERP Cc1n[nH]c(C[N@@H+](C)CCCN(C)CC[NH+](C)C)c1C ZINC000894787199 619060371 /nfs/dbraw/zinc/06/03/71/619060371.db2.gz NYXONSXMAPCWMT-UHFFFAOYSA-N 2 0 281.448 1.342 10 0 CDAERP C[N@@H+]1CC[C@H]1CNC(=O)C[C@@H](n1ccnc1)C(F)(F)F ZINC000928552179 619351398 /nfs/dbraw/zinc/35/13/98/619351398.db2.gz INUIAXWRNBFUQK-VHSXEESVSA-N 2 0 290.289 1.197 10 0 CDAERP C[C@H]1CN(Cc2ccc(CO)o2)CCN1c1cc[nH+]cc1 ZINC000895558331 619726593 /nfs/dbraw/zinc/72/65/93/619726593.db2.gz WAUDUNUCXNKHKO-ZDUSSCGKSA-N 2 0 287.363 1.878 10 0 CDAERP O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@]12CC[NH+](C1)CCC2 ZINC000895756202 619829445 /nfs/dbraw/zinc/82/94/45/619829445.db2.gz SYRAOFSBSLTQBK-DZKIICNBSA-N 2 0 277.412 1.215 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)[C@H]2CCC[C@H]21 ZINC000926942768 621622740 /nfs/dbraw/zinc/62/27/40/621622740.db2.gz GITDOUOQCIEDTG-TWHJKIGZSA-N 2 0 280.412 1.253 10 0 CDAERP Cc1nccn1CCCN1CCO[C@H](C(F)F)C1 ZINC000801565569 621652026 /nfs/dbraw/zinc/65/20/26/621652026.db2.gz GMQAYCNQGQREGR-NSHDSACASA-N 2 0 259.300 1.548 10 0 CDAERP CCO[C@@H](CC[NH+](C)C)CNC(=[NH2+])N[C@@H](C)C1CC1 ZINC000899271309 622135571 /nfs/dbraw/zinc/13/55/71/622135571.db2.gz VIZTZGCMEXLORX-AAEUAGOBSA-N 2 0 270.421 1.256 10 0 CDAERP C1=C(c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)CC[NH2+]CC1 ZINC000900016245 622643074 /nfs/dbraw/zinc/64/30/74/622643074.db2.gz MMAMBLCGPNLSFX-YHWZYXNKSA-N 2 0 274.368 1.834 10 0 CDAERP c1ccc(C[NH+]2CCC(N[C@@H]3C[C@H]4CC[C@@H]3[NH2+]4)CC2)nc1 ZINC000902473194 624822492 /nfs/dbraw/zinc/82/24/92/624822492.db2.gz UJGXBGRFHRJBGO-HYVNUMGLSA-N 2 0 286.423 1.529 10 0 CDAERP C1COC2(CCC([NH2+][C@@H]3C[C@H]4CC[C@@H]3[NH2+]4)CC2)O1 ZINC000902467633 624859068 /nfs/dbraw/zinc/85/90/68/624859068.db2.gz PXOHXQQRIVQPND-FRRDWIJNSA-N 2 0 252.358 1.155 10 0 CDAERP C(C1CC1)[NH+]1CCC([NH2+][C@@H]2CCO[C@]23CCOC3)CC1 ZINC000903074656 625838252 /nfs/dbraw/zinc/83/82/52/625838252.db2.gz OUCYPWVDHZJTML-CVEARBPZSA-N 2 0 280.412 1.398 10 0 CDAERP CC(C)C(=O)NC[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903433268 625990639 /nfs/dbraw/zinc/99/06/39/625990639.db2.gz XUNKYKFCEWAHFH-ILXRZTDVSA-N 2 0 281.444 1.598 10 0 CDAERP COC(=O)[C@@H]1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H]1C ZINC000903464448 625993783 /nfs/dbraw/zinc/99/37/83/625993783.db2.gz NWZKTTDGNOMPNP-QNWHQSFQSA-N 2 0 254.374 1.245 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCCC[C@H]2[C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000903460451 625995202 /nfs/dbraw/zinc/99/52/02/625995202.db2.gz CTKRADDFJUEMQD-OTJKEOIZSA-N 3 0 281.444 1.475 10 0 CDAERP Cc1ccnc(NC(=O)C[N@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000903441831 625996728 /nfs/dbraw/zinc/99/67/28/625996728.db2.gz BUILSOMNCOHDJF-OLZOCXBDSA-N 2 0 276.384 1.388 10 0 CDAERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903445988 625999232 /nfs/dbraw/zinc/99/92/32/625999232.db2.gz QKYLFHFPURAAFM-OWCLPIDISA-N 3 0 283.460 1.275 10 0 CDAERP COC(=O)CC1(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)CC1 ZINC000903498978 626008594 /nfs/dbraw/zinc/00/85/94/626008594.db2.gz PZSYDKAKZHIEKH-VXGBXAGGSA-N 2 0 254.374 1.246 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H]([C@@]2(C)COC(=O)N2)C1 ZINC000903561258 626019430 /nfs/dbraw/zinc/01/94/30/626019430.db2.gz HQLYEIJZZWVAOS-QVHKTLOISA-N 2 0 281.400 1.052 10 0 CDAERP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000903740051 626078250 /nfs/dbraw/zinc/07/82/50/626078250.db2.gz CCQAPOSBWSAGLC-LTIDMASMSA-N 3 0 293.455 1.219 10 0 CDAERP CCC[N@H+](CC)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903874028 626127610 /nfs/dbraw/zinc/12/76/10/626127610.db2.gz QUPVGKQNZMODNU-ZDUSSCGKSA-N 2 0 252.406 1.578 10 0 CDAERP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000903874060 626127623 /nfs/dbraw/zinc/12/76/23/626127623.db2.gz RJVUXZOVUKELAZ-LMBMLGAESA-N 3 0 277.456 1.981 10 0 CDAERP CCOC1CC[NH+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903883847 626132600 /nfs/dbraw/zinc/13/26/00/626132600.db2.gz KPWCHZWOSJYYOI-CQSZACIVSA-N 2 0 294.443 1.347 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@H+]2C[C@H](C)[C@H](C)C2)cnn1C ZINC000903896596 626136331 /nfs/dbraw/zinc/13/63/31/626136331.db2.gz VSSFVGGWCSAETK-SCRDCRAPSA-N 2 0 264.417 1.434 10 0 CDAERP CN(CCOCC1CC1)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903897946 626137125 /nfs/dbraw/zinc/13/71/25/626137125.db2.gz KSEDYEIHCUGBAB-CQSZACIVSA-N 2 0 293.415 1.061 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[NH2+]CC2(C)CCC2)cnn1C ZINC000903925971 626148779 /nfs/dbraw/zinc/14/87/79/626148779.db2.gz QGYHUANBRLUTTF-ZDUSSCGKSA-N 2 0 264.417 1.626 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000903937260 626155882 /nfs/dbraw/zinc/15/58/82/626155882.db2.gz GOAJRDXHMDYLME-GJZGRUSLSA-N 2 0 276.428 1.966 10 0 CDAERP C[NH+](C)C1(C)CCC([NH2+]C[C@@H](N)CC(F)F)CC1 ZINC000903937813 626155920 /nfs/dbraw/zinc/15/59/20/626155920.db2.gz RZLLLIJOSZJZJL-ZBOXLXRLSA-N 2 0 263.376 1.821 10 0 CDAERP COC[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCCOC1 ZINC000903959523 626159292 /nfs/dbraw/zinc/15/92/92/626159292.db2.gz JHIJPSAXDGMOFM-XRMFNRFGSA-N 2 0 282.428 1.548 10 0 CDAERP Nc1cc[nH+]c(CNCc2cccc3c2CC[NH2+]C3)c1 ZINC000903953391 626166115 /nfs/dbraw/zinc/16/61/15/626166115.db2.gz DXILAUSVVZLCHN-UHFFFAOYSA-N 2 0 268.364 1.599 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc2c(s1)CC[NH2+]C2 ZINC000903967366 626172273 /nfs/dbraw/zinc/17/22/73/626172273.db2.gz IOPJZHKJJXOXCQ-PWSUYJOCSA-N 3 0 265.426 1.339 10 0 CDAERP c1cc(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)n(-c2ccccc2)n1 ZINC000904420737 626295051 /nfs/dbraw/zinc/29/50/51/626295051.db2.gz VNRPVDQXEKJXDY-LSDHHAIUSA-N 2 0 282.391 1.914 10 0 CDAERP CC[C@@](C)(C[NH3+])c1nc(CC2CC[NH2+]CC2)no1 ZINC000905316986 626745576 /nfs/dbraw/zinc/74/55/76/626745576.db2.gz OYSJNLMCCZBAQG-ZDUSSCGKSA-N 2 0 252.362 1.238 10 0 CDAERP CC[N@H+]1[C@H](C)CN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)C[C@@H]1C ZINC000912021866 629738800 /nfs/dbraw/zinc/73/88/00/629738800.db2.gz NPZRDSXHWLZJEQ-QKPAOTATSA-N 2 0 293.455 1.944 10 0 CDAERP O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)C12CC[NH+](CC1)C2 ZINC000912508460 630048595 /nfs/dbraw/zinc/04/85/95/630048595.db2.gz WAIPCBWHASHBGZ-CQSZACIVSA-N 2 0 291.439 1.605 10 0 CDAERP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912914066 630281828 /nfs/dbraw/zinc/28/18/28/630281828.db2.gz UMEMKHPYFVUNDA-HZPDHXFCSA-N 2 0 291.439 1.700 10 0 CDAERP CCCCCC[N@H+](C)CC(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912918269 630288330 /nfs/dbraw/zinc/28/83/30/630288330.db2.gz WSBPVMRXADCGKE-OAHLLOKOSA-N 2 0 281.444 1.805 10 0 CDAERP CC(C)[NH+]1CCC([N@H+](C)CCO[C@H]2CCOC2)CC1 ZINC000929471898 630650240 /nfs/dbraw/zinc/65/02/40/630650240.db2.gz ZCWGKULJJMOJKN-HNNXBMFYSA-N 2 0 270.417 1.597 10 0 CDAERP C[C@@H]1[C@H](NC(=O)NC2CC[NH+](C3CC3)CC2)CC[N@@H+]1C ZINC000913981279 630933535 /nfs/dbraw/zinc/93/35/35/630933535.db2.gz JQSLDYCLGMWEME-BXUZGUMPSA-N 2 0 280.416 1.005 10 0 CDAERP CC[NH+]1CCC(CNC(=O)N[C@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC000916031982 631897351 /nfs/dbraw/zinc/89/73/51/631897351.db2.gz IFCJNZFHIMFYTL-JSGCOSHPSA-N 2 0 282.432 1.110 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)C2(O)CCCC2)[C@H](C)C1 ZINC000930001297 632299429 /nfs/dbraw/zinc/29/94/29/632299429.db2.gz UAFJJQDDCQEWCI-ILXRZTDVSA-N 2 0 284.444 1.315 10 0 CDAERP CC(C)[NH+](CCCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C)C(C)C ZINC000921150715 632883340 /nfs/dbraw/zinc/88/33/40/632883340.db2.gz QLWOSQBLVBIRBW-LSDHHAIUSA-N 2 0 298.475 1.887 10 0 CDAERP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000261957391 678921477 /nfs/dbraw/zinc/92/14/77/678921477.db2.gz OUKOGYZTDLQRSU-HUUCEWRRSA-N 2 0 252.402 1.879 10 0 CDAERP CC(C)C[C@@H](CNC1=[NH+]CCCCN1)[NH+]1CCCC1 ZINC000849214938 679140620 /nfs/dbraw/zinc/14/06/20/679140620.db2.gz DGZCMJRZYOTHAS-AWEZNQCLSA-N 2 0 266.433 1.826 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H](CNC(=[NH2+])N[C@@H]2C[C@@H]2C)C1 ZINC000864460986 679146375 /nfs/dbraw/zinc/14/63/75/679146375.db2.gz KOAUFSSUAAIRIP-BFHYXJOUSA-N 2 0 266.433 1.877 10 0 CDAERP COc1cc(CN2CC[NH2+]CC[NH2+]CC2)ccc1SC ZINC000923461007 677763240 /nfs/dbraw/zinc/76/32/40/677763240.db2.gz IWCNPJRPIQIQQM-UHFFFAOYSA-N 2 0 295.452 1.412 10 0 CDAERP CCC1([NH3+])CCN([C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000714759025 677771709 /nfs/dbraw/zinc/77/17/09/677771709.db2.gz QFWLHSFTGJYJAU-JSGCOSHPSA-N 2 0 251.418 1.815 10 0 CDAERP CCC1([NH+](C)C)CCN(c2cc(C)[nH+]c(N)n2)CC1 ZINC000715227329 677799164 /nfs/dbraw/zinc/79/91/64/677799164.db2.gz NRZJSZPCADWLJJ-UHFFFAOYSA-N 2 0 263.389 1.678 10 0 CDAERP COC(=O)N1CCC[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925565555 677844738 /nfs/dbraw/zinc/84/47/38/677844738.db2.gz UIPSTRFIRBYUST-FRRDWIJNSA-N 2 0 283.416 1.713 10 0 CDAERP C[C@@H](NC(=[NH2+])NCC(C)(C)[NH+]1CCCCC1)C1CC1 ZINC000080851956 677855607 /nfs/dbraw/zinc/85/56/07/677855607.db2.gz KXGXOJFESWJBOW-GFCCVEGCSA-N 2 0 266.433 1.954 10 0 CDAERP c1ccc(C[NH+]2CCN(CCC[NH2+]C3CC3)CC2)cc1 ZINC000037613569 677857706 /nfs/dbraw/zinc/85/77/06/677857706.db2.gz CZDXOCOLYLSAFP-UHFFFAOYSA-N 2 0 273.424 1.946 10 0 CDAERP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2ccc(F)cn2)C1 ZINC000818980817 677864755 /nfs/dbraw/zinc/86/47/55/677864755.db2.gz OJUFJYNWNHZTJO-IUODEOHRSA-N 2 0 281.375 1.576 10 0 CDAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925786035 677890841 /nfs/dbraw/zinc/89/08/41/677890841.db2.gz NFBBOYZSZPIYQR-WZRBSPASSA-N 3 0 262.401 1.355 10 0 CDAERP C[NH+]1CCC(C[NH2+][C@H]2CCN(C3CCC3)C2=O)CC1 ZINC000708666396 677935726 /nfs/dbraw/zinc/93/57/26/677935726.db2.gz LAWYUQGTLMFAAR-AWEZNQCLSA-N 2 0 265.401 1.071 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCc2nnc3ccccn32)[C@H]2CCC[C@H]21 ZINC000796673283 677943599 /nfs/dbraw/zinc/94/35/99/677943599.db2.gz ASQFJNIULYAKRM-QLFBSQMISA-N 2 0 299.422 1.734 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCCn2ccnc2)C1 ZINC000925494351 677961879 /nfs/dbraw/zinc/96/18/79/677961879.db2.gz OCYOGKHLGSKPMO-STQMWFEESA-N 2 0 250.390 1.769 10 0 CDAERP C(COC[C@@H]1CCCO1)[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000925070374 677983312 /nfs/dbraw/zinc/98/33/12/677983312.db2.gz FDKOGVXKBKHQHQ-XHSDSOJGSA-N 2 0 282.428 1.789 10 0 CDAERP C[C@@H](C1CC1)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000930115589 678003514 /nfs/dbraw/zinc/00/35/14/678003514.db2.gz WPQCUOWPFOTDSC-ZDUSSCGKSA-N 2 0 253.434 1.743 10 0 CDAERP C[C@H]1C[N@H+](CC(=O)NCC(C)(C)C)CC[C@@H]1C[NH3+] ZINC000923487784 678060788 /nfs/dbraw/zinc/06/07/88/678060788.db2.gz BNGKTHQRPKNOQH-NWDGAFQWSA-N 2 0 255.406 1.065 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCC1(O)CCC1 ZINC000926603193 678091458 /nfs/dbraw/zinc/09/14/58/678091458.db2.gz CFNCFEQLOLZTST-PBWFPOADSA-N 2 0 252.402 1.611 10 0 CDAERP CCn1cc(CN2CCC[C@@H](C)[C@@H]2CC[NH3+])nn1 ZINC000714460231 678065813 /nfs/dbraw/zinc/06/58/13/678065813.db2.gz WRPUMMSPJVAIHI-YPMHNXCESA-N 2 0 251.378 1.247 10 0 CDAERP O[C@@H](C[NH2+]CC[C@@H]1CC1(Cl)Cl)C[NH+]1CCCC1 ZINC000863562252 678070463 /nfs/dbraw/zinc/07/04/63/678070463.db2.gz IDTMLTQVFGZAHS-MNOVXSKESA-N 2 0 281.227 1.617 10 0 CDAERP CC[N@@H+](Cc1ccc(OC)cc1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923307033 678074837 /nfs/dbraw/zinc/07/48/37/678074837.db2.gz RFNIYRAXOZUILP-MRXNPFEDSA-N 2 0 290.407 1.896 10 0 CDAERP C([C@@H]1CCC2(CCC2)O1)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000712499028 678111879 /nfs/dbraw/zinc/11/18/79/678111879.db2.gz UNRYUDRLZRTFAL-CABCVRRESA-N 2 0 279.428 1.068 10 0 CDAERP CC1(C)C[C@@H]([NH2+]CC2(CS(C)(=O)=O)CC2)C[C@@H]([NH3+])C1 ZINC000925575384 678129728 /nfs/dbraw/zinc/12/97/28/678129728.db2.gz GGGXVQPIDCHJCX-NEPJUHHUSA-N 2 0 288.457 1.307 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000846685664 678134212 /nfs/dbraw/zinc/13/42/12/678134212.db2.gz FOMWDUYCHYKUDB-CYBMUJFWSA-N 2 0 255.406 1.208 10 0 CDAERP O=C1O[C@H](C[NH2+][C@@H]2CCCC23CCC3)CC12CC[NH2+]CC2 ZINC000925852070 678163776 /nfs/dbraw/zinc/16/37/76/678163776.db2.gz ZTEFIAJOYCCDMQ-UONOGXRCSA-N 2 0 292.423 1.984 10 0 CDAERP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])C1 ZINC000841076536 678164061 /nfs/dbraw/zinc/16/40/61/678164061.db2.gz IEOGQYNYKVTJHA-DBIOUOCHSA-N 2 0 278.343 1.679 10 0 CDAERP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H](O)CC3CCCC3)C[C@@H]2C1 ZINC000389410799 678183577 /nfs/dbraw/zinc/18/35/77/678183577.db2.gz LANBMUCMFFIWHE-PMPSAXMXSA-N 2 0 266.429 1.811 10 0 CDAERP CCOC(=O)N1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000719276596 678203435 /nfs/dbraw/zinc/20/34/35/678203435.db2.gz BOKJJRYHZJQLHN-AGUYFDCRSA-N 2 0 281.400 1.291 10 0 CDAERP CC(C)O[C@@]1(C[NH2+]CC2CC[NH+](C)CC2)CCOC1 ZINC000722343576 679673428 /nfs/dbraw/zinc/67/34/28/679673428.db2.gz JBZFLFNBMUTIEF-OAHLLOKOSA-N 2 0 270.417 1.502 10 0 CDAERP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccnn1C ZINC000396458945 679691840 /nfs/dbraw/zinc/69/18/40/679691840.db2.gz ORPNJXMQACEIOW-RYUDHWBXSA-N 2 0 250.390 1.801 10 0 CDAERP CN1CC[NH+](CCCC[NH2+][C@H]2CCCc3n[nH]cc32)CC1 ZINC000796697709 679693083 /nfs/dbraw/zinc/69/30/83/679693083.db2.gz YAUMFLRJCUMVHM-HNNXBMFYSA-N 2 0 291.443 1.404 10 0 CDAERP COC(C)(C)CC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710627779 679698491 /nfs/dbraw/zinc/69/84/91/679698491.db2.gz UGASVAGZBFGFFE-UHFFFAOYSA-N 2 0 258.406 1.190 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000925717980 677718411 /nfs/dbraw/zinc/71/84/11/677718411.db2.gz MHYYVAQXENVGGG-HZSPNIEDSA-N 2 0 256.390 1.147 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000852860555 677739061 /nfs/dbraw/zinc/73/90/61/677739061.db2.gz GSHQERNKDQYMQN-ZIAGYGMSSA-N 2 0 263.385 1.039 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000713007705 677746898 /nfs/dbraw/zinc/74/68/98/677746898.db2.gz HAYZNAJCVRTWDS-KBPBESRZSA-N 2 0 283.460 1.842 10 0 CDAERP C[NH+](C)C1(CN[C@H]2CC[NH2+]C23CCCC3)CCC1 ZINC000925645622 677827294 /nfs/dbraw/zinc/82/72/94/677827294.db2.gz RHTPUQXVTZLJIM-ZDUSSCGKSA-N 2 0 251.418 1.735 10 0 CDAERP C[N@H+](CCOCC[NH3+])C[C@H]1CC(C)(C)OC1(C)C ZINC000709702798 677831195 /nfs/dbraw/zinc/83/11/95/677831195.db2.gz PKRSULOOKVWALS-GFCCVEGCSA-N 2 0 258.406 1.487 10 0 CDAERP C[C@@H](CNC(=O)NC1CCC(C)([NH+](C)C)CC1)[NH+](C)C ZINC000868674839 677855391 /nfs/dbraw/zinc/85/53/91/677855391.db2.gz BAOQCYAFSWSKLI-OPFPJEHXSA-N 2 0 284.448 1.499 10 0 CDAERP COCC[C@@H](C)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923449140 677910944 /nfs/dbraw/zinc/91/09/44/677910944.db2.gz KIRVYBMZXPISTP-OLZOCXBDSA-N 2 0 256.390 1.241 10 0 CDAERP C[C@H]([NH2+]CCCCCC1CC[NH2+]CC1)C1C[NH2+]C1 ZINC000925806449 677970793 /nfs/dbraw/zinc/97/07/93/677970793.db2.gz DHKCEIJRBCGMEX-ZDUSSCGKSA-N 3 0 253.434 1.744 10 0 CDAERP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H]2CCC3(COC3)O2)C1 ZINC000929762117 677976765 /nfs/dbraw/zinc/97/67/65/677976765.db2.gz CPADIEYHOSTRPO-HOTGVXAUSA-N 2 0 294.439 1.598 10 0 CDAERP C[C@@H](Nc1ncnc2c1cnn2C)C1CC[NH2+]CC1 ZINC000716626048 677979393 /nfs/dbraw/zinc/97/93/93/677979393.db2.gz CQBWWRFDPRJMQD-SECBINFHSA-N 2 0 260.345 1.163 10 0 CDAERP CC(C)(C)[NH2+]CCC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000720475626 677980183 /nfs/dbraw/zinc/98/01/83/677980183.db2.gz QSTGGBPMQNVZPW-CHWSQXEVSA-N 2 0 299.484 1.461 10 0 CDAERP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000715570374 677992041 /nfs/dbraw/zinc/99/20/41/677992041.db2.gz DOIRKBDNZZITOH-RXFTYZNJSA-N 2 0 281.444 1.896 10 0 CDAERP CN(C(=O)CCCCCC[NH3+])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000831905359 678053149 /nfs/dbraw/zinc/05/31/49/678053149.db2.gz GOILPCQMRPWWCR-CQSZACIVSA-N 2 0 267.417 1.591 10 0 CDAERP COCCN(C)CC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925577238 678058485 /nfs/dbraw/zinc/05/84/85/678058485.db2.gz MWQSCFXDNDSNFG-QWHCGFSZSA-N 2 0 257.422 1.060 10 0 CDAERP [NH3+][C@@H](CC(=O)Nc1cnn(-c2cc[nH+]cc2)c1)C1CC1 ZINC000828420772 678107814 /nfs/dbraw/zinc/10/78/14/678107814.db2.gz NBGAAUALHFMPTK-ZDUSSCGKSA-N 2 0 271.324 1.333 10 0 CDAERP COc1c(C)cnc(CNC(=O)N[C@@H](C)[C@H](C)[NH3+])c1C ZINC000841763464 678150227 /nfs/dbraw/zinc/15/02/27/678150227.db2.gz XZHFCENIMOEKRA-QWRGUYRKSA-N 2 0 280.372 1.242 10 0 CDAERP Cn1cc(C[NH+]2CCC(C(C)(C)C[NH3+])CC2)cn1 ZINC000714456000 678152292 /nfs/dbraw/zinc/15/22/92/678152292.db2.gz MZAROZWDBBQWFW-UHFFFAOYSA-N 2 0 250.390 1.617 10 0 CDAERP C[C@H](C[NH+]1CCC(C)CC1)N[C@H]1CC[NH2+]C12CCC2 ZINC000925704246 678233986 /nfs/dbraw/zinc/23/39/86/678233986.db2.gz DFTNPOJGLJBBOX-CABCVRRESA-N 2 0 265.445 1.981 10 0 CDAERP CC[NH+]1CCC([NH2+]C[C@@]2(OC)CCSC2)CC1 ZINC000719314842 678256131 /nfs/dbraw/zinc/25/61/31/678256131.db2.gz ZKKJXCFWXGSYAQ-ZDUSSCGKSA-N 2 0 258.431 1.582 10 0 CDAERP C[C@@]1(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CCC(=O)N1 ZINC000925684305 678259368 /nfs/dbraw/zinc/25/93/68/678259368.db2.gz GUGFWTLBGOWIMS-SUNKGSAMSA-N 2 0 253.390 1.151 10 0 CDAERP CC1CCC([NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)CC1 ZINC000925853460 678280586 /nfs/dbraw/zinc/28/05/86/678280586.db2.gz JGBLNRCTTVTATP-RUXDESIVSA-N 2 0 280.412 1.840 10 0 CDAERP C[NH+]1CCC([C@H]2CC[N@H+](CN3C(=O)[C@@H]4CCC[C@@H]43)C2)CC1 ZINC000840038090 678289312 /nfs/dbraw/zinc/28/93/12/678289312.db2.gz SZLVHAYNYHFUCU-XHSDSOJGSA-N 2 0 291.439 1.619 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000810435558 678313026 /nfs/dbraw/zinc/31/30/26/678313026.db2.gz DKTZNDCMXAYQSB-MELADBBJSA-N 2 0 269.433 1.419 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@@]2(F)CC[NH2+]C2)cc1 ZINC000841848250 678317906 /nfs/dbraw/zinc/31/79/06/678317906.db2.gz FPOFCLXBPROJKF-QMTHXVAHSA-N 2 0 265.332 1.024 10 0 CDAERP C[C@H](C(=O)N[C@H](CC[NH+](C)C)c1cccnc1)[NH+](C)C ZINC000928829608 678336180 /nfs/dbraw/zinc/33/61/80/678336180.db2.gz KWURZDACFITRIK-TZMCWYRMSA-N 2 0 278.400 1.141 10 0 CDAERP C[NH2+]Cc1ccccc1C[NH2+]C1CCN(C(=O)OC)CC1 ZINC000844905061 678350718 /nfs/dbraw/zinc/35/07/18/678350718.db2.gz UGSHHQCHWYHIRJ-UHFFFAOYSA-N 2 0 291.395 1.726 10 0 CDAERP C[C@H]1C[N@H+](Cc2nc(-c3ccccn3)no2)CC[C@@H]1C[NH3+] ZINC000923498830 678352094 /nfs/dbraw/zinc/35/20/94/678352094.db2.gz IRZDMNXIYYIENE-NWDGAFQWSA-N 2 0 287.367 1.548 10 0 CDAERP COCC[N@H+](C)CCCN[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000924654338 678352812 /nfs/dbraw/zinc/35/28/12/678352812.db2.gz RBBYNJUSHYRTCS-CVEARBPZSA-N 2 0 283.460 1.561 10 0 CDAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](C[C@@H]1C[C@H]3CCC[C@H]3O1)CC2 ZINC000923445593 678391671 /nfs/dbraw/zinc/39/16/71/678391671.db2.gz KQQPMARCRXCMCJ-FXUDXRNXSA-N 2 0 294.439 1.774 10 0 CDAERP CC1(C)C[C@@H]([NH2+]CCCN2CCOCC2)C[C@@H]([NH3+])C1 ZINC000925493552 678435897 /nfs/dbraw/zinc/43/58/97/678435897.db2.gz LHYISTFLYRXXLF-KGLIPLIRSA-N 2 0 269.433 1.204 10 0 CDAERP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1ccnnc1 ZINC000926686900 678443222 /nfs/dbraw/zinc/44/32/22/678443222.db2.gz SENCEJDIDUSMPO-UONOGXRCSA-N 2 0 279.432 1.399 10 0 CDAERP C[NH+](C)CCOCC[NH2+][C@@H](C1CCC1)[C@H]1CCOC1 ZINC000926253656 678449598 /nfs/dbraw/zinc/44/95/98/678449598.db2.gz HEIZIOBZXOVJSM-GJZGRUSLSA-N 2 0 270.417 1.359 10 0 CDAERP CCOc1cc(F)cc(C[NH2+]CCOCC[NH+](C)C)c1 ZINC000865531149 678460734 /nfs/dbraw/zinc/46/07/34/678460734.db2.gz RWKZRBXPVHKAPH-UHFFFAOYSA-N 2 0 284.375 1.892 10 0 CDAERP CC1(C)[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925727150 678487769 /nfs/dbraw/zinc/48/77/69/678487769.db2.gz ZGYXEQSGIVPAPT-ARILJUKYSA-N 3 0 265.445 1.870 10 0 CDAERP CN1CCOC[C@@H]1C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925718035 678499076 /nfs/dbraw/zinc/49/90/76/678499076.db2.gz MSIJLVAOEXZRNM-HOTGVXAUSA-N 2 0 277.412 1.387 10 0 CDAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000714248103 678509528 /nfs/dbraw/zinc/50/95/28/678509528.db2.gz WTECXLCFBRPJMC-XJFOESAGSA-N 2 0 288.457 1.462 10 0 CDAERP C[C@@H]1C[C@H]1NC(=[NH2+])NCc1cccc(OCC[NH+](C)C)c1 ZINC000864452489 678541743 /nfs/dbraw/zinc/54/17/43/678541743.db2.gz HKHZZIVFDMAEAL-IUODEOHRSA-N 2 0 290.411 1.649 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@H]2CCC[C@@H]2CCCF)CC1 ZINC000925817684 678584079 /nfs/dbraw/zinc/58/40/79/678584079.db2.gz VMVSKRLMTWBAEM-HIFRSBDPSA-N 2 0 271.424 1.918 10 0 CDAERP C[N@@H+]1CC[C@H](N[C@H]2CC[NH+](CC(C)(C)O)C2)[C@@H]2CCC[C@H]21 ZINC000866412401 678602385 /nfs/dbraw/zinc/60/23/85/678602385.db2.gz IIDRANDKHQZDEG-YHUYYLMFSA-N 2 0 295.471 1.294 10 0 CDAERP C[N@@H+]1CC[C@H](NCc2cc(N)cc[nH+]2)[C@H]2CCC[C@@H]21 ZINC000925767414 678604401 /nfs/dbraw/zinc/60/44/01/678604401.db2.gz ONLKUDQYVJFKOU-ILXRZTDVSA-N 2 0 260.385 1.626 10 0 CDAERP CC1(C)C[C@@H](NCc2nnc3n2CCCC3)C[C@@H]([NH3+])C1 ZINC000925604683 678626041 /nfs/dbraw/zinc/62/60/41/678626041.db2.gz MSDFPBPIXRLWEV-NEPJUHHUSA-N 2 0 277.416 1.610 10 0 CDAERP C[NH+]1CCN(CCC[NH2+][C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000924577594 678669816 /nfs/dbraw/zinc/66/98/16/678669816.db2.gz HVIOTQUPTQBFSL-IRXDYDNUSA-N 3 0 294.487 1.230 10 0 CDAERP CCN(C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@H]1CC[N@H+](C)C1 ZINC000853823665 678696152 /nfs/dbraw/zinc/69/61/52/678696152.db2.gz FNKMRTHWWJVFMN-KFWWJZLASA-N 2 0 296.459 1.595 10 0 CDAERP C([C@H]1C[C@H]2CCC[C@H]2O1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000720898827 678703327 /nfs/dbraw/zinc/70/33/27/678703327.db2.gz XKAZKMVYVRVQDZ-XLWJZTARSA-N 2 0 250.386 1.485 10 0 CDAERP Cn1c(Cl)cnc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000848561785 678708046 /nfs/dbraw/zinc/70/80/46/678708046.db2.gz BZHBVUPQBOPJLC-AOOOYVTPSA-N 2 0 256.781 1.503 10 0 CDAERP [NH3+]CCOc1cccc(NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)c1 ZINC000870935501 678715736 /nfs/dbraw/zinc/71/57/36/678715736.db2.gz PQGHADCOAKEPGX-ZETOZRRWSA-N 2 0 275.352 1.090 10 0 CDAERP CO[C@@H]1CCC[C@@H]([NH2+]C[C@](C)(O)C[NH+](C)C)CC1 ZINC000718789682 678730684 /nfs/dbraw/zinc/73/06/84/678730684.db2.gz MXLWGHXDTNEXTL-MCIONIFRSA-N 2 0 258.406 1.236 10 0 CDAERP Cc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000227765860 678788326 /nfs/dbraw/zinc/78/83/26/678788326.db2.gz CWOQCRQBJAGZHD-KBPBESRZSA-N 2 0 275.396 1.850 10 0 CDAERP Cc1cccc(C(=O)NCC[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925495325 678807354 /nfs/dbraw/zinc/80/73/54/678807354.db2.gz OJENDGRWIOEHBU-CABCVRRESA-N 2 0 287.407 1.584 10 0 CDAERP CC(C)[C@H]1C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCS1 ZINC000923314906 678813194 /nfs/dbraw/zinc/81/31/94/678813194.db2.gz NMBYXQOYHMVHOP-CHWSQXEVSA-N 2 0 270.442 1.438 10 0 CDAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)CCCCC[NH3+] ZINC000155478508 678819777 /nfs/dbraw/zinc/81/97/77/678819777.db2.gz KCFANNKCYNJRLX-MRXNPFEDSA-N 2 0 291.439 1.795 10 0 CDAERP C[C@@H]1C[N@@H+](CCN2CCC(C)([NH+](C)C)CC2)C[C@H](C)O1 ZINC000931354981 678822442 /nfs/dbraw/zinc/82/24/42/678822442.db2.gz NAEDZCCTEYCUAK-GASCZTMLSA-N 2 0 283.460 1.512 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000711028929 678837764 /nfs/dbraw/zinc/83/77/64/678837764.db2.gz GBDHGTXXYGDPPD-MGPQQGTHSA-N 2 0 267.417 1.447 10 0 CDAERP C[NH+](C)CC1CC[NH+](C[C@@H]2C[C@H]3COC[C@@H]3O2)CC1 ZINC000929283568 678847589 /nfs/dbraw/zinc/84/75/89/678847589.db2.gz SLPXNVIHMARJOV-KKUMJFAQSA-N 2 0 268.401 1.064 10 0 CDAERP C[C@H](CCNC(=O)[C@]12C[NH2+]C[C@H]1CCCC2)[NH+](C)C ZINC000715403935 678857146 /nfs/dbraw/zinc/85/71/46/678857146.db2.gz UATHGFPRKXCTPU-UMVBOHGHSA-N 2 0 267.417 1.223 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925718227 678864237 /nfs/dbraw/zinc/86/42/37/678864237.db2.gz NEGSBLCQWZBLDG-LSDHHAIUSA-N 3 0 269.433 1.110 10 0 CDAERP C[N@H+](CC[C@H]1COC(C)(C)O1)C[C@H]1CCC[NH+](C)C1 ZINC000851782320 678865301 /nfs/dbraw/zinc/86/53/01/678865301.db2.gz QMIDHDHGWKVZMG-KBPBESRZSA-N 2 0 270.417 1.802 10 0 CDAERP [NH3+]CCCCCC[NH2+]Cc1nc2c(s1)C[NH2+]CC2 ZINC000853245955 678869643 /nfs/dbraw/zinc/86/96/43/678869643.db2.gz DZVPIKIHRVYQLQ-UHFFFAOYSA-N 3 0 268.430 1.398 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)C[C@H]1CCCOC1 ZINC000855346457 678904033 /nfs/dbraw/zinc/90/40/33/678904033.db2.gz CSSPFVBCOZSHJB-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923452859 678918779 /nfs/dbraw/zinc/91/87/79/678918779.db2.gz IPJNTEHFNGGUEN-MELADBBJSA-N 2 0 297.443 1.119 10 0 CDAERP Cc1ccc(OC[C@@H](O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c(C)c1 ZINC000923514959 678924758 /nfs/dbraw/zinc/92/47/58/678924758.db2.gz KYGLQMBGUMIUDX-OAGGEKHMSA-N 2 0 292.423 1.570 10 0 CDAERP CC1(C)[C@H]([NH2+]CCOc2cccnc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925490255 678925430 /nfs/dbraw/zinc/92/54/30/678925430.db2.gz RUZNVERDPQHOAN-QLFBSQMISA-N 2 0 275.396 1.827 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)CCC23CC(C2)C[NH2+]3)C1 ZINC000870875353 678930022 /nfs/dbraw/zinc/93/00/22/678930022.db2.gz LABIIKCIYBROJF-HPUBIQBYSA-N 2 0 293.455 1.755 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CCC2(COC2)CC1 ZINC000926862499 678946702 /nfs/dbraw/zinc/94/67/02/678946702.db2.gz UTSKIJAZHOZNFU-NNQSOWQGSA-N 2 0 264.413 1.875 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000862278081 678957953 /nfs/dbraw/zinc/95/79/53/678957953.db2.gz SITDBEMKCYQDMF-VXGBXAGGSA-N 2 0 275.387 1.646 10 0 CDAERP C[C@H](CNC(=[NH2+])N[C@@H]1C[C@@H]1C)C[NH+]1CCCCC1 ZINC000864455103 678961631 /nfs/dbraw/zinc/96/16/31/678961631.db2.gz GQIDAMNNHAQZRQ-FRRDWIJNSA-N 2 0 252.406 1.631 10 0 CDAERP NC(=O)c1ccc(CC[NH+]2CCC(CC[NH3+])CC2)cc1 ZINC000866667619 678962383 /nfs/dbraw/zinc/96/23/83/678962383.db2.gz SMXKXOWSCZUQAD-UHFFFAOYSA-N 2 0 275.396 1.389 10 0 CDAERP CC(C)(C[NH3+])C1CC[NH+](CCO[C@H]2CCOC2)CC1 ZINC000724947334 678969880 /nfs/dbraw/zinc/96/98/80/678969880.db2.gz CMXNEKRKGIVMRT-AWEZNQCLSA-N 2 0 270.417 1.489 10 0 CDAERP Cn1ncc(CCC[NH2+][C@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)n1 ZINC000815640310 678984333 /nfs/dbraw/zinc/98/43/33/678984333.db2.gz UOXWZNJEPOPVMK-KKUMJFAQSA-N 2 0 277.416 1.210 10 0 CDAERP O=C(NCCC[NH+]1CCCCC1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000711339683 678988196 /nfs/dbraw/zinc/98/81/96/678988196.db2.gz MBLPRXMBNAVCGN-ZBFHGGJFSA-N 2 0 279.428 1.511 10 0 CDAERP COC(=O)N1CCC(C[NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925673508 679040705 /nfs/dbraw/zinc/04/07/05/679040705.db2.gz YAJUMOZMNRYSTK-CYBMUJFWSA-N 2 0 281.400 1.339 10 0 CDAERP C[NH+](C)C[C@@H]1CN(C(=O)C2CCCC2)C[C@H]1C[NH+](C)C ZINC000870025314 679046178 /nfs/dbraw/zinc/04/61/78/679046178.db2.gz QUFQFKORRMZWBO-HUUCEWRRSA-N 2 0 281.444 1.374 10 0 CDAERP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCOC1CCOCC1 ZINC000925877630 679046723 /nfs/dbraw/zinc/04/67/23/679046723.db2.gz KRMJMDALJFUZTR-JSGCOSHPSA-N 2 0 256.390 1.160 10 0 CDAERP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)C1 ZINC000723648108 679049560 /nfs/dbraw/zinc/04/95/60/679049560.db2.gz SUDQOYPXBZEOPZ-NIFZNCRKSA-N 2 0 252.402 1.909 10 0 CDAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CC(F)(F)C(F)F)CC2 ZINC000923450126 679063622 /nfs/dbraw/zinc/06/36/22/679063622.db2.gz SLMXBWDAZJAEDQ-VIFPVBQESA-N 2 0 284.297 1.717 10 0 CDAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](C[C@@H]1CCCCO1)CC2 ZINC000923444155 679067178 /nfs/dbraw/zinc/06/71/78/679067178.db2.gz HJHZTTBTNULTBD-UONOGXRCSA-N 2 0 268.401 1.385 10 0 CDAERP C=C/C(C)=C\CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870019712 679080910 /nfs/dbraw/zinc/08/09/10/679080910.db2.gz NGOCXHAECUAKMJ-JMVFYIHGSA-N 2 0 293.455 1.707 10 0 CDAERP [NH2+]=C(NCCC1CC1)NCC1CC[NH+](C2CC2)CC1 ZINC000864464736 679092206 /nfs/dbraw/zinc/09/22/06/679092206.db2.gz GQOOLRUXZCUOMF-UHFFFAOYSA-N 2 0 264.417 1.775 10 0 CDAERP CC(C)(O)C[C@@H](O)C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000872201340 679104299 /nfs/dbraw/zinc/10/42/99/679104299.db2.gz WNBHGTUJNJCSOC-CYBMUJFWSA-N 2 0 272.433 1.361 10 0 CDAERP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)C[C@H]1CCC(=O)N1 ZINC000926646281 679104558 /nfs/dbraw/zinc/10/45/58/679104558.db2.gz WYOHEYDRYJUORV-ZIAGYGMSSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@H](CCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+]1CCCCC1 ZINC000921934648 679105015 /nfs/dbraw/zinc/10/50/15/679105015.db2.gz TYCPNPKTXDKXFY-RBSFLKMASA-N 2 0 296.459 1.643 10 0 CDAERP C(C1CC1)[C@@H]1COCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000923551625 679113679 /nfs/dbraw/zinc/11/36/79/679113679.db2.gz BCCJWHJUQQTROI-ZIAGYGMSSA-N 2 0 266.385 1.008 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CC2(S(C)(=O)=O)CC2)C1 ZINC000925664338 679123591 /nfs/dbraw/zinc/12/35/91/679123591.db2.gz YBQYSEOKAPNCEP-WDEREUQCSA-N 2 0 274.430 1.059 10 0 CDAERP CC(C)[C@@H](C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723905812 679129492 /nfs/dbraw/zinc/12/94/92/679129492.db2.gz OBAYIZGRLMLGMZ-JHJVBQTASA-N 2 0 255.406 1.064 10 0 CDAERP CC[C@@H]([NH2+][C@H](C)c1cccc(C[NH+](C)C)c1)C(=O)NC ZINC000926551447 679151532 /nfs/dbraw/zinc/15/15/32/679151532.db2.gz MWUBQDNXHQZNOP-IUODEOHRSA-N 2 0 277.412 1.923 10 0 CDAERP Cc1nc(C[NH3+])ccc1[C@@H](C)NC[C@H]1C[NH2+]CCC1(F)F ZINC000925774562 679157858 /nfs/dbraw/zinc/15/78/58/679157858.db2.gz BBSPUTNFHULONV-ZYHUDNBSSA-N 3 0 298.381 1.744 10 0 CDAERP O[C@H](C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)C1(O)CCC1 ZINC000929688074 679162273 /nfs/dbraw/zinc/16/22/73/679162273.db2.gz OXNRNQPADJDIBB-LSDHHAIUSA-N 2 0 282.428 1.213 10 0 CDAERP C[C@@H]1C[N@H+](C[C@@H]2C[C@H]3CCC[C@H]3O2)C[C@H]1CC[NH3+] ZINC000723924772 679172879 /nfs/dbraw/zinc/17/28/79/679172879.db2.gz PHZZEEAAFHQRSJ-ARILJUKYSA-N 2 0 252.402 1.861 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+][C@H](CO)Cc2c[nH]c3ccccc23)C12CCC2 ZINC000925610691 679182250 /nfs/dbraw/zinc/18/22/50/679182250.db2.gz HAKFAXYDBBQNBL-IAOVAPTHSA-N 2 0 299.418 1.931 10 0 CDAERP C[C@@H]1C[N@H+](Cc2nc(-c3ccco3)no2)CC[C@@H]1C[NH3+] ZINC000923502558 679215555 /nfs/dbraw/zinc/21/55/55/679215555.db2.gz ZZWOXJGOXHWEQK-GHMZBOCLSA-N 2 0 276.340 1.746 10 0 CDAERP C([C@@H]1CCCOC1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000111322115 679215932 /nfs/dbraw/zinc/21/59/32/679215932.db2.gz HSLIRACUONWBFF-SOUVJXGZSA-N 2 0 252.402 1.877 10 0 CDAERP C[NH+](C)CC1CCN(C(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852859775 679216363 /nfs/dbraw/zinc/21/63/63/679216363.db2.gz ZXRHKTYAXAJPJS-UHFFFAOYSA-N 2 0 265.401 1.096 10 0 CDAERP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H](CCO)C1CCCC1 ZINC000725086362 679227188 /nfs/dbraw/zinc/22/71/88/679227188.db2.gz WQONPMXDTLHWPE-GJZGRUSLSA-N 2 0 272.433 1.218 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2CCCC[C@H]2[NH3+])C1 ZINC000249954772 1158556733 /nfs/dbraw/zinc/55/67/33/1158556733.db2.gz LAGYSRNPPYSRTH-HZSPNIEDSA-N 2 0 267.417 1.447 10 0 CDAERP [NH3+][C@@H](CC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)C1CC1 ZINC000852860139 679359328 /nfs/dbraw/zinc/35/93/28/679359328.db2.gz LCHWSGHMKCKPBT-GJZGRUSLSA-N 2 0 289.379 1.413 10 0 CDAERP CN(CCCC[NH+]1CCCCC1)C(=O)C12CC[NH+](CC1)C2 ZINC000922322880 679361455 /nfs/dbraw/zinc/36/14/55/679361455.db2.gz OCKTXPARQKVGHI-UHFFFAOYSA-N 2 0 293.455 1.807 10 0 CDAERP C[NH+](C)C1CCN(CC[NH2+]CC2(O)CCCCC2)CC1 ZINC000819134344 679375426 /nfs/dbraw/zinc/37/54/26/679375426.db2.gz FKDFTGKCJPDUPW-UHFFFAOYSA-N 2 0 283.460 1.297 10 0 CDAERP CC[C@H]([NH2+]C)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000870989307 679385309 /nfs/dbraw/zinc/38/53/09/679385309.db2.gz HHXYFKXHGWUKSA-SMDDNHRTSA-N 2 0 255.406 1.208 10 0 CDAERP C[NH+](C)CC[C@@H](N[C@H]1CC[NH2+]C1(C)C)c1cccnc1 ZINC000925828487 679386749 /nfs/dbraw/zinc/38/67/49/679386749.db2.gz XXGHUPZCYORSIH-CABCVRRESA-N 2 0 276.428 1.805 10 0 CDAERP C[NH2+]CCCN(C)C(=O)C[C@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000842509765 679392209 /nfs/dbraw/zinc/39/22/09/679392209.db2.gz LYYUXAIYRAPWFF-LBPRGKRZSA-N 2 0 298.818 1.501 10 0 CDAERP CC[NH+]1CCN([C@@H](C)CN[C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925549348 679393628 /nfs/dbraw/zinc/39/36/28/679393628.db2.gz XXJIMHIHBRIMBJ-HOTGVXAUSA-N 2 0 294.487 1.277 10 0 CDAERP C[NH+]1CCC2(CCC[N@H+](C[C@@H]3CCC4(COC4)O3)C2)CC1 ZINC000930309156 679394970 /nfs/dbraw/zinc/39/49/70/679394970.db2.gz GTQVAXUSHONDAO-HNNXBMFYSA-N 2 0 294.439 1.742 10 0 CDAERP C[C@@H](CN[C@@H]1CC[NH2+]C12CCCC2)C[NH+]1CCN(C)CC1 ZINC000925489011 679437896 /nfs/dbraw/zinc/43/78/96/679437896.db2.gz IFEFFRYBEQNCLJ-JKSUJKDBSA-N 2 0 294.487 1.134 10 0 CDAERP C[C@H](Cn1cncn1)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925512032 679459335 /nfs/dbraw/zinc/45/93/35/679459335.db2.gz YQNHWEVWYGBRDO-WOPDTQHZSA-N 2 0 251.378 1.162 10 0 CDAERP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000872289010 679479726 /nfs/dbraw/zinc/47/97/26/679479726.db2.gz WDVZDLUSTZOUHG-SQWLQELKSA-N 2 0 279.428 1.496 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1nc2c(s1)CCC2 ZINC000719612026 679483453 /nfs/dbraw/zinc/48/34/53/679483453.db2.gz YDYHWDBXPUFCAC-SNVBAGLBSA-N 2 0 269.414 1.475 10 0 CDAERP C[C@@H](c1ncccn1)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923441469 679489446 /nfs/dbraw/zinc/48/94/46/679489446.db2.gz LPEWAPVVLJZNLX-STQMWFEESA-N 2 0 276.384 1.367 10 0 CDAERP C[C@@H]1[C@H](NC(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)CC[N@@H+]1C ZINC000923189504 679504498 /nfs/dbraw/zinc/50/44/98/679504498.db2.gz HTYIKPSWKVEKIX-JHJVBQTASA-N 2 0 282.432 1.251 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)CCCCC[NH3+])[C@H](C)C1 ZINC000155782289 679513848 /nfs/dbraw/zinc/51/38/48/679513848.db2.gz DCFDGTFVTIGQRQ-KGLIPLIRSA-N 2 0 269.433 1.694 10 0 CDAERP CC(C)N1C[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1=O ZINC000925582067 679536864 /nfs/dbraw/zinc/53/68/64/679536864.db2.gz WJPWREDBCFYMEC-JHJVBQTASA-N 2 0 267.417 1.491 10 0 CDAERP CCN1C[C@H](C[NH+]2CCC(CCC[NH+](C)C)CC2)OC1=O ZINC000846838840 679538115 /nfs/dbraw/zinc/53/81/15/679538115.db2.gz APNWFKPAICZJCW-HNNXBMFYSA-N 2 0 297.443 1.881 10 0 CDAERP O=C1N[C@@H](C2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)CO1 ZINC000923525065 679591175 /nfs/dbraw/zinc/59/11/75/679591175.db2.gz CVRPTQXFJNUYPW-GXTWGEPZSA-N 2 0 281.400 1.197 10 0 CDAERP CS(=O)(=O)CCC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925590075 679606646 /nfs/dbraw/zinc/60/66/46/679606646.db2.gz FDCOOBFMORNGDG-KBPBESRZSA-N 2 0 288.457 1.179 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000925701770 679619014 /nfs/dbraw/zinc/61/90/14/679619014.db2.gz FKUQHIFJPVQNMR-QKGCVVFFSA-N 3 0 265.445 1.693 10 0 CDAERP CCC(CC)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870023949 679624671 /nfs/dbraw/zinc/62/46/71/679624671.db2.gz PMQCJBKSYROXIA-HUUCEWRRSA-N 2 0 283.460 1.620 10 0 CDAERP CC(C)[C@H](CNC(=[NH2+])N[C@H]1C[C@@H]1C)[NH+]1CCCC1 ZINC000864450336 679632175 /nfs/dbraw/zinc/63/21/75/679632175.db2.gz KWJOPLPBMSLRPZ-AVGNSLFASA-N 2 0 252.406 1.629 10 0 CDAERP CN(C)c1ncc(C[N@H+](C)CCCCCCC[NH3+])cn1 ZINC000842476457 679634341 /nfs/dbraw/zinc/63/43/41/679634341.db2.gz OWWDBFMYZNTQGF-UHFFFAOYSA-N 2 0 279.432 1.884 10 0 CDAERP CCCCOC[C@@H](O)C[NH+]1CCC(CC[NH2+]C)CC1 ZINC000227910664 679639051 /nfs/dbraw/zinc/63/90/51/679639051.db2.gz VTEHFXLRLHKZJF-HNNXBMFYSA-N 2 0 272.433 1.486 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000925682875 679643360 /nfs/dbraw/zinc/64/33/60/679643360.db2.gz GZFYNEPVMTVVFG-MCAJLIOHSA-N 2 0 280.412 1.254 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000235695211 679645359 /nfs/dbraw/zinc/64/53/59/679645359.db2.gz PGYKPNDBYIYCFQ-IHRRRGAJSA-N 2 0 267.417 1.365 10 0 CDAERP CCn1cc(C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C(C)C)cn1 ZINC000923387498 679646354 /nfs/dbraw/zinc/64/63/54/679646354.db2.gz OTYZSVRIJALNTN-OAHLLOKOSA-N 2 0 292.427 1.492 10 0 CDAERP CC[C@H]([NH2+][C@H](CCC[NH3+])COC)[C@@H]1CCCOC1 ZINC000723988817 679648284 /nfs/dbraw/zinc/64/82/84/679648284.db2.gz RZNJCJHYNMNMPV-MCIONIFRSA-N 2 0 258.406 1.535 10 0 CDAERP CC1CC[NH+](CCCNC(=O)[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000711226879 679651322 /nfs/dbraw/zinc/65/13/22/679651322.db2.gz RPCNPPWONVGPON-AWEZNQCLSA-N 2 0 281.444 1.470 10 0 CDAERP CC(C)OC[C@@H](O)C[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000230027171 679652070 /nfs/dbraw/zinc/65/20/70/679652070.db2.gz BUNJUEBUSSNQSE-INIZCTEOSA-N 2 0 280.412 1.623 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCOC)[C@H](CC)C1 ZINC001670595935 1158654747 /nfs/dbraw/zinc/65/47/47/1158654747.db2.gz QNRBGRUFXLOSID-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H](CC[NH2+]CCF)C2)C1 ZINC001698683455 1159020380 /nfs/dbraw/zinc/02/03/80/1159020380.db2.gz PZTFGBCIQXECDD-GJZGRUSLSA-N 2 0 299.434 1.516 10 0 CDAERP CCCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001266994147 1159073500 /nfs/dbraw/zinc/07/35/00/1159073500.db2.gz JVBZGDQEEBHGNJ-UONOGXRCSA-N 2 0 269.433 1.755 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@H]1C[C@H]([NH2+]CCCF)C1 ZINC001691184532 1158949266 /nfs/dbraw/zinc/94/92/66/1158949266.db2.gz OVOGAORZRJJLCS-BIQWYFBQSA-N 2 0 299.434 1.703 10 0 CDAERP CCN1CC[C@H]1C(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC001618040800 1165618018 /nfs/dbraw/zinc/61/80/18/1165618018.db2.gz JJQATMHPRYZIQE-ZDUSSCGKSA-N 2 0 267.417 1.319 10 0 CDAERP C[NH+]1CCC(OCC(=O)OC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC001649231546 1166200959 /nfs/dbraw/zinc/20/09/59/1166200959.db2.gz GODCVEJYETVBPU-CYBMUJFWSA-N 2 0 298.427 1.513 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001630756346 1166229706 /nfs/dbraw/zinc/22/97/06/1166229706.db2.gz XSNDIWUYCMDQER-STQMWFEESA-N 2 0 267.417 1.175 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1CC ZINC001566028885 1168216569 /nfs/dbraw/zinc/21/65/69/1168216569.db2.gz JGONXEUBUQRNEW-UONOGXRCSA-N 2 0 269.433 1.706 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001566791446 1168423315 /nfs/dbraw/zinc/42/33/15/1168423315.db2.gz HXLWEOCQBRBCID-JYJNAYRXSA-N 2 0 293.455 1.755 10 0 CDAERP CCC[NH2+][C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001566793361 1168425058 /nfs/dbraw/zinc/42/50/58/1168425058.db2.gz PICIZTWGOIVYAL-MGPQQGTHSA-N 2 0 267.417 1.508 10 0 CDAERP OC1CCC(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC001647211783 1168453994 /nfs/dbraw/zinc/45/39/94/1168453994.db2.gz GNZMUBPUBYVNSB-UHFFFAOYSA-N 2 0 296.455 1.582 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC1CC1 ZINC001567021299 1168514989 /nfs/dbraw/zinc/51/49/89/1168514989.db2.gz JVQBFGSFFOQPPV-TZMCWYRMSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)=CC[N@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001567282398 1168656449 /nfs/dbraw/zinc/65/64/49/1168656449.db2.gz ZKUYSTWDVGEOOZ-HNNXBMFYSA-N 2 0 279.428 1.342 10 0 CDAERP C[N@@H+]1C[C@@]2(C)CN(C(=O)C34CCC[NH+]3CCC4)C[C@@]2(C)C1 ZINC001647427481 1168680934 /nfs/dbraw/zinc/68/09/34/1168680934.db2.gz FWNSHOVMZBOEJR-IYBDPMFKSA-N 2 0 291.439 1.415 10 0 CDAERP CCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1Cc2cncn2C1 ZINC001649917068 1169496502 /nfs/dbraw/zinc/49/65/02/1169496502.db2.gz OILBXDXLZWXRFS-OCCSQVGLSA-N 2 0 276.384 1.189 10 0 CDAERP CC[C@H](C)C[NH2+]C/C=C/CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001568851354 1169518021 /nfs/dbraw/zinc/51/80/21/1169518021.db2.gz BZSFUGNMMXHTCG-QNKPMFPBSA-N 2 0 293.455 1.636 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001569061451 1169625326 /nfs/dbraw/zinc/62/53/26/1169625326.db2.gz CCWFZXTXGLSEAJ-RYUDHWBXSA-N 2 0 273.396 1.313 10 0 CDAERP CCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001569065947 1169626757 /nfs/dbraw/zinc/62/67/57/1169626757.db2.gz BPOBKGKRHHYUMW-UONOGXRCSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CC[C@@](C)(C[NH2+]CCF)C2)CC[N@@H+]1C ZINC001569669200 1169962557 /nfs/dbraw/zinc/96/25/57/1169962557.db2.gz JHWQVUZVJZVTLE-NFAWXSAZSA-N 2 0 285.407 1.124 10 0 CDAERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1[NH2+]CCF ZINC001570361313 1170142343 /nfs/dbraw/zinc/14/23/43/1170142343.db2.gz BJLKYLDXQMLHGW-STQMWFEESA-N 2 0 273.396 1.124 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCN1CC[NH+]2C[C@@H](F)C[C@H]2C1 ZINC001656384596 1171816289 /nfs/dbraw/zinc/81/62/89/1171816289.db2.gz RPUFKNJQTRAAPJ-MJBXVCDLSA-N 2 0 255.381 1.199 10 0 CDAERP COC/C(C)=C/C[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001656476000 1171831388 /nfs/dbraw/zinc/83/13/88/1171831388.db2.gz YRVTYMOXYLKNME-OMCISZLKSA-N 2 0 296.455 1.892 10 0 CDAERP CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001667210716 1173245769 /nfs/dbraw/zinc/24/57/69/1173245769.db2.gz LZVXAUPLJSJYFM-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP CC[C@H](C(=O)NC1CC(C[NH2+]C/C=C/Cl)C1)[NH+](C)C ZINC001674554601 1173963175 /nfs/dbraw/zinc/96/31/75/1173963175.db2.gz LYJUJNDBEAAJJN-WFPFTBDXSA-N 2 0 287.835 1.564 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CC1CC1 ZINC001674780179 1174008417 /nfs/dbraw/zinc/00/84/17/1174008417.db2.gz KMYVTLUWPZMMCR-VXGBXAGGSA-N 2 0 255.406 1.219 10 0 CDAERP CCCC[C@H](C[NH2+]CCC)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001675216736 1174083150 /nfs/dbraw/zinc/08/31/50/1174083150.db2.gz AWFDAAVWDPWVFS-KGLIPLIRSA-N 2 0 269.433 1.755 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)C[C@H]1CC[NH+]1CC=C(C)C ZINC001688893945 1175055621 /nfs/dbraw/zinc/05/56/21/1175055621.db2.gz NVJDVTUYXDPJEX-OAHLLOKOSA-N 2 0 281.444 1.827 10 0 CDAERP COCCC[NH2+][C@@H]1CCCCCN(C(=O)CC[NH+](C)C)C1 ZINC001689267904 1175132627 /nfs/dbraw/zinc/13/26/27/1175132627.db2.gz TZTLMWUGCMHEQL-OAHLLOKOSA-N 2 0 299.459 1.335 10 0 CDAERP C[N@H+](CC(=O)N1CCCC[C@@H]1C[NH2+]CCCF)C1CCC1 ZINC001690471695 1175478827 /nfs/dbraw/zinc/47/88/27/1175478827.db2.gz QIRVHCORDIPTQN-OAHLLOKOSA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)[N@H+](C)CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001699000352 1176027038 /nfs/dbraw/zinc/02/70/38/1176027038.db2.gz CGBDDCARHZKPBL-CQSZACIVSA-N 2 0 267.417 1.127 10 0 CDAERP C[C@@H](CC[NH2+]CCF)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001699110322 1176093559 /nfs/dbraw/zinc/09/35/59/1176093559.db2.gz PTBYFECFOVZNFM-STQMWFEESA-N 2 0 273.396 1.315 10 0 CDAERP CO[C@@H](C)C[NH2+]CC[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001699155027 1176115526 /nfs/dbraw/zinc/11/55/26/1176115526.db2.gz SDVBHGSFFOEAGZ-GJZGRUSLSA-N 2 0 299.459 1.238 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001699426956 1176391208 /nfs/dbraw/zinc/39/12/08/1176391208.db2.gz HMKKCAZFMWTNGS-UONOGXRCSA-N 2 0 269.433 1.469 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001699575875 1176480029 /nfs/dbraw/zinc/48/00/29/1176480029.db2.gz JPFQESDOBQLULN-ZIAGYGMSSA-N 2 0 267.417 1.364 10 0 CDAERP CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001699633331 1176529202 /nfs/dbraw/zinc/52/92/02/1176529202.db2.gz JTPIUAMVHKPRIF-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]CCF)CC1 ZINC001699763964 1176612872 /nfs/dbraw/zinc/61/28/72/1176612872.db2.gz UFUALEWNLDCFDQ-HNNXBMFYSA-N 2 0 299.434 1.657 10 0 CDAERP C[NH+](C)CCCC(=O)N1CC[C@@H](CC[NH2+]CC2CC2)C1 ZINC001700079324 1176741121 /nfs/dbraw/zinc/74/11/21/1176741121.db2.gz LGXJWIZMRIFPFX-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP CCOCC[NH2+][C@H](C)[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001700419695 1176918643 /nfs/dbraw/zinc/91/86/43/1176918643.db2.gz WUZQXFHPWFNNIE-ZIAGYGMSSA-N 2 0 299.459 1.238 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C[NH2+]CCCF)C1 ZINC001700902630 1177188404 /nfs/dbraw/zinc/18/84/04/1177188404.db2.gz QLHVUFZTRBIZJT-CHWSQXEVSA-N 2 0 273.396 1.172 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001713244661 1178450137 /nfs/dbraw/zinc/45/01/37/1178450137.db2.gz SJWJCYFQTVHYFN-HUUCEWRRSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)CCC[NH2+][C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001713311089 1178488248 /nfs/dbraw/zinc/48/82/48/1178488248.db2.gz INHIUWWKLGWPOH-ZBFHGGJFSA-N 2 0 295.471 1.859 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cccc(Cl)n1 ZINC001713334400 1178505083 /nfs/dbraw/zinc/50/50/83/1178505083.db2.gz GNZYSBODBAQXSD-NSHDSACASA-N 2 0 298.818 1.281 10 0 CDAERP CC(C)(C(=O)NC[C@@H]([NH2+]CCCF)C1CC1)[NH+]1CCCC1 ZINC001713873013 1178807431 /nfs/dbraw/zinc/80/74/31/1178807431.db2.gz WNVWWMZVBJZEFX-CQSZACIVSA-N 2 0 299.434 1.705 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001713949646 1178882661 /nfs/dbraw/zinc/88/26/61/1178882661.db2.gz YZBJIGZJBZKKBZ-RBSFLKMASA-N 2 0 279.428 1.365 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001713966017 1178898904 /nfs/dbraw/zinc/89/89/04/1178898904.db2.gz GJMAFBNFVSOQEB-CRWXNKLISA-N 2 0 267.417 1.221 10 0 CDAERP CCC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001713986724 1178909265 /nfs/dbraw/zinc/90/92/65/1178909265.db2.gz OMXWCINCNGWYAF-LGZALOBFSA-N 2 0 293.455 1.875 10 0 CDAERP CC/C=C/CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001714017846 1178929863 /nfs/dbraw/zinc/92/98/63/1178929863.db2.gz GRWMISNKSXVSLG-RUFGBCQQSA-N 2 0 279.428 1.531 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H](C[NH2+]CCC2CC2)C1 ZINC001714087409 1178967744 /nfs/dbraw/zinc/96/77/44/1178967744.db2.gz XZDCFEZRYKTBJH-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP CC/C=C/CC[NH2+][C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001714237299 1179038008 /nfs/dbraw/zinc/03/80/08/1179038008.db2.gz YBXAKBGRWSICLF-ATQQARJTSA-N 2 0 293.455 1.779 10 0 CDAERP CC/C=C\CC[NH2+][C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001714237300 1179038421 /nfs/dbraw/zinc/03/84/21/1179038421.db2.gz YBXAKBGRWSICLF-PJFORWJISA-N 2 0 293.455 1.779 10 0 CDAERP CC(C)[NH2+][C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001714244260 1179043292 /nfs/dbraw/zinc/04/32/92/1179043292.db2.gz QPHQDLXVYCHRBB-OLZOCXBDSA-N 2 0 255.406 1.364 10 0 CDAERP COCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001714432105 1179136964 /nfs/dbraw/zinc/13/69/64/1179136964.db2.gz IALZOGFCSABQAK-GJZGRUSLSA-N 2 0 297.443 1.040 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CCC[C@@H]([N@H+](C)CCF)C1 ZINC001714454915 1179146728 /nfs/dbraw/zinc/14/67/28/1179146728.db2.gz SBDOLESDRYEUPM-CQSZACIVSA-N 2 0 287.423 1.611 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC[C@@H]1CC[NH+](C(C)C)C1 ZINC001714884904 1179436796 /nfs/dbraw/zinc/43/67/96/1179436796.db2.gz QBMRXDOWGRXHGR-CQSZACIVSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)=CC[NH+]1CC(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001714973038 1179485699 /nfs/dbraw/zinc/48/56/99/1179485699.db2.gz BPYVIMVGXCUEFU-CQSZACIVSA-N 2 0 279.428 1.342 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](CC=C(C)C)C1 ZINC001715034119 1179520766 /nfs/dbraw/zinc/52/07/66/1179520766.db2.gz ZCEPTAJPTUZRBQ-OAHLLOKOSA-N 2 0 281.444 1.827 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CC1CC1 ZINC001715432530 1179667275 /nfs/dbraw/zinc/66/72/75/1179667275.db2.gz YXIFVKLAXLZLFU-HOTGVXAUSA-N 2 0 293.455 1.851 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH2+]CCOC)C(C)C ZINC001715508455 1179688482 /nfs/dbraw/zinc/68/84/82/1179688482.db2.gz VLKISYMUZOVCDC-GJZGRUSLSA-N 2 0 299.459 1.238 10 0 CDAERP CC(C)[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCCF ZINC001715595423 1179728800 /nfs/dbraw/zinc/72/88/00/1179728800.db2.gz KOIXUUBXAMYBAT-UONOGXRCSA-N 2 0 287.423 1.561 10 0 CDAERP CCN(CC[NH2+]CCC(C)(C)C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001715724651 1179780135 /nfs/dbraw/zinc/78/01/35/1179780135.db2.gz WVEVIQXDXHBQRN-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001715811477 1179837376 /nfs/dbraw/zinc/83/73/76/1179837376.db2.gz DLARYXUOUXZRTG-VBROQKIQSA-N 2 0 267.417 1.530 10 0 CDAERP CC(C)=CC[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001715906546 1179907263 /nfs/dbraw/zinc/90/72/63/1179907263.db2.gz FXGXWMREQJXHCF-WSNITJDQSA-N 2 0 265.401 1.166 10 0 CDAERP O=C(C[NH+]1CCCC1)NC/C=C/C[NH2+]Cc1ccsc1 ZINC001715909408 1179908017 /nfs/dbraw/zinc/90/80/17/1179908017.db2.gz QFWAJQBNOFCUFF-OWOJBTEDSA-N 2 0 293.436 1.606 10 0 CDAERP CC[NH2+]C[C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001715998730 1179974361 /nfs/dbraw/zinc/97/43/61/1179974361.db2.gz SSIVWDXFNHDUBB-QWHCGFSZSA-N 2 0 255.406 1.365 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@H]1CCC[C@@H]1C[NH2+]CCCF ZINC001716075941 1180032884 /nfs/dbraw/zinc/03/28/84/1180032884.db2.gz TVYLYROUCNNRIJ-KGLIPLIRSA-N 2 0 285.407 1.316 10 0 CDAERP O=C(NC/C=C/C[NH2+]CC1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001716294787 1180145912 /nfs/dbraw/zinc/14/59/12/1180145912.db2.gz BYMSTXLPWNBBAO-YLSAJCSVSA-N 2 0 277.412 1.000 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC/C=C\C[NH2+]CC2CCC2)C1 ZINC001716343857 1180163080 /nfs/dbraw/zinc/16/30/80/1180163080.db2.gz LIHUPBOGYOTPOS-SFAKSCPVSA-N 2 0 279.428 1.390 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@@H](CC[NH2+]CCF)C1 ZINC001717104954 1180532073 /nfs/dbraw/zinc/53/20/73/1180532073.db2.gz JHXYIBSISVPQBQ-CYBMUJFWSA-N 2 0 273.396 1.126 10 0 CDAERP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CCCF)CCC2)CC[N@@H+]1C ZINC001717151195 1180550542 /nfs/dbraw/zinc/55/05/42/1180550542.db2.gz IFHSOWDEVKYMFY-CHWSQXEVSA-N 2 0 285.407 1.315 10 0 CDAERP CCC[NH2+]C1(C)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001717301650 1180611620 /nfs/dbraw/zinc/61/16/20/1180611620.db2.gz YXKJOHZSGPSHEF-UHFFFAOYSA-N 2 0 269.433 1.709 10 0 CDAERP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH+](C)CC1CC1 ZINC001717494004 1180709300 /nfs/dbraw/zinc/70/93/00/1180709300.db2.gz DPYMXKFNRGSMPA-TZMCWYRMSA-N 2 0 267.417 1.175 10 0 CDAERP CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001717649356 1180773278 /nfs/dbraw/zinc/77/32/78/1180773278.db2.gz IJVLEEODNVXCGQ-VGWMRTNUSA-N 2 0 293.455 1.898 10 0 CDAERP CCOCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001717758418 1180832940 /nfs/dbraw/zinc/83/29/40/1180832940.db2.gz WZVFMZPQUJANIJ-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP CCC[N@H+](C)CC(=O)NCC1=CC[NH+]([C@@H](C)COC)CC1 ZINC001718032236 1180977532 /nfs/dbraw/zinc/97/75/32/1180977532.db2.gz LLLRHCSEGOJSAK-AWEZNQCLSA-N 2 0 297.443 1.111 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N(C)CCC[NH2+]CCC2CC2)C1 ZINC001723123686 1181519716 /nfs/dbraw/zinc/51/97/16/1181519716.db2.gz PEPZFQKVBBYBTF-AWEZNQCLSA-N 2 0 281.444 1.566 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001723920720 1181624185 /nfs/dbraw/zinc/62/41/85/1181624185.db2.gz NACLTJPXUWBVAQ-ZIAGYGMSSA-N 2 0 267.417 1.461 10 0 CDAERP CC[C@@H](C(=O)N[C@]1(C)CC[N@H+](CC)C1)[NH+](CC)CC ZINC001724175820 1181647446 /nfs/dbraw/zinc/64/74/46/1181647446.db2.gz ZQLZLPDSLUZDMF-DZGCQCFKSA-N 2 0 269.433 1.707 10 0 CDAERP CCC[NH2+]C[C@@]1(C)CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001724251333 1181658578 /nfs/dbraw/zinc/65/85/78/1181658578.db2.gz PHKPXYPPMUEBEK-QGZVFWFLSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@@]1(C[NH2+]CCC2CC2)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001724266466 1181659278 /nfs/dbraw/zinc/65/92/78/1181659278.db2.gz FSQWVYOOGNIQJB-KRWDZBQOSA-N 2 0 293.455 1.711 10 0 CDAERP CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001724709899 1181731561 /nfs/dbraw/zinc/73/15/61/1181731561.db2.gz GOKJCWUXKWJNTG-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CCC1 ZINC001724795482 1181756262 /nfs/dbraw/zinc/75/62/62/1181756262.db2.gz HSUDKBFJJMYBJM-UHFFFAOYSA-N 2 0 281.444 1.757 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001724999163 1181820993 /nfs/dbraw/zinc/82/09/93/1181820993.db2.gz RTZJHZBZJKKGDI-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@@H](C)[NH2+]CCCF ZINC001725125928 1181874795 /nfs/dbraw/zinc/87/47/95/1181874795.db2.gz DBNRAAIFEJJGLZ-CHWSQXEVSA-N 2 0 287.423 1.703 10 0 CDAERP CC(C)=CC[N@@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001725191270 1181914983 /nfs/dbraw/zinc/91/49/83/1181914983.db2.gz BYGROXPZCUZHAZ-AWEZNQCLSA-N 2 0 267.417 1.485 10 0 CDAERP CCCC[NH+]1CC([C@H](C)NC(=O)C[N@H+](C)C(C)C)C1 ZINC001725271028 1181946183 /nfs/dbraw/zinc/94/61/83/1181946183.db2.gz XYFALAUCVMMFET-ZDUSSCGKSA-N 2 0 269.433 1.563 10 0 CDAERP CCOCC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CC)[C@@H]1C ZINC001725635171 1182079456 /nfs/dbraw/zinc/07/94/56/1182079456.db2.gz QIZIWGMDAPHWAQ-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001725754453 1182123418 /nfs/dbraw/zinc/12/34/18/1182123418.db2.gz GBIMVOBFYGGPRK-NWDGAFQWSA-N 2 0 255.406 1.079 10 0 CDAERP CC(C)=CC[NH2+][C@@H](CNC(=O)CC[NH+](C)C)C1CC1 ZINC001731407499 1182368542 /nfs/dbraw/zinc/36/85/42/1182368542.db2.gz WRDXYZWGUKCIJD-AWEZNQCLSA-N 2 0 267.417 1.389 10 0 CDAERP CC/C=C/CC[NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001731484717 1182415213 /nfs/dbraw/zinc/41/52/13/1182415213.db2.gz GNRKMYPOUGWZQH-FKZIUMHTSA-N 2 0 293.455 1.921 10 0 CDAERP CCC(CC)C[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001731636465 1182493400 /nfs/dbraw/zinc/49/34/00/1182493400.db2.gz DIZCEGPBEVBGIJ-OCCSQVGLSA-N 2 0 269.433 1.469 10 0 CDAERP CC[C@@H](F)C[NH2+]CCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001731987454 1182715924 /nfs/dbraw/zinc/71/59/24/1182715924.db2.gz HILFTNLTELAGOH-CQSZACIVSA-N 2 0 287.423 1.659 10 0 CDAERP CC(C)[N@H+](CCCF)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001732007962 1182723725 /nfs/dbraw/zinc/72/37/25/1182723725.db2.gz QQDGBZAHILTGME-CQSZACIVSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C(C)C ZINC001732008090 1182724928 /nfs/dbraw/zinc/72/49/28/1182724928.db2.gz WDOIKMQVWYYGBK-OAHLLOKOSA-N 2 0 283.460 1.953 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCOCC ZINC001732149568 1182809401 /nfs/dbraw/zinc/80/94/01/1182809401.db2.gz HUOJYLQQSSIDRV-GJZGRUSLSA-N 2 0 297.443 1.040 10 0 CDAERP CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C(C)C ZINC001732562710 1183011663 /nfs/dbraw/zinc/01/16/63/1183011663.db2.gz FKQWDWNGCGTMJD-BFHYXJOUSA-N 2 0 269.433 1.467 10 0 CDAERP CC(C)=CC[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C(C)C ZINC001732570395 1183014702 /nfs/dbraw/zinc/01/47/02/1183014702.db2.gz LKPSUHDIJOPENK-HNNXBMFYSA-N 2 0 281.444 1.779 10 0 CDAERP CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001732908960 1183181283 /nfs/dbraw/zinc/18/12/83/1183181283.db2.gz JJDXOZYEZGXORG-WCYDHSITSA-N 2 0 279.428 1.675 10 0 CDAERP CC(C)C[NH2+]C/C=C\CNC(=O)C12CC[NH+](CC1)C2 ZINC001732922086 1183186167 /nfs/dbraw/zinc/18/61/67/1183186167.db2.gz FEQZAOATHMWGLM-ARJAWSKDSA-N 2 0 265.401 1.000 10 0 CDAERP C[C@@H](C[NH2+]C/C=C/Cl)NC(=O)C1CC[NH+](C)CC1 ZINC001733012000 1183235785 /nfs/dbraw/zinc/23/57/85/1183235785.db2.gz WHBNNPGYTYELHS-GQOHGMTASA-N 2 0 273.808 1.175 10 0 CDAERP CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001733053321 1183264884 /nfs/dbraw/zinc/26/48/84/1183264884.db2.gz JEUPKGUTKPHRRA-ZIAGYGMSSA-N 2 0 269.433 1.706 10 0 CDAERP CC(C)[NH2+]CCCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001733107899 1183293746 /nfs/dbraw/zinc/29/37/46/1183293746.db2.gz XDYWANRHKQCOLH-LSDHHAIUSA-N 2 0 281.444 1.850 10 0 CDAERP CC[NH2+]CCCN(C)C(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001733131951 1183301902 /nfs/dbraw/zinc/30/19/02/1183301902.db2.gz WIYGZEKIJPYQNE-NSHDSACASA-N 2 0 252.362 1.046 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]CCC(C)(C)C)C2CC2)C1 ZINC001733190913 1183325357 /nfs/dbraw/zinc/32/53/57/1183325357.db2.gz QZKTVZXNJPWLHY-GJZGRUSLSA-N 2 0 295.471 1.859 10 0 CDAERP COCCC[N@@H+]1CC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001733218078 1183345041 /nfs/dbraw/zinc/34/50/41/1183345041.db2.gz BOOSYHJNYDAVKJ-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+]CC=C(C)C ZINC001733351322 1183406709 /nfs/dbraw/zinc/40/67/09/1183406709.db2.gz UPZIHQCVKISPBV-HNNXBMFYSA-N 2 0 281.444 1.875 10 0 CDAERP CCC[NH2+]CC1CC(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001733955728 1183583680 /nfs/dbraw/zinc/58/36/80/1183583680.db2.gz FSUFGZHSKXZFMJ-UHFFFAOYSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001734321895 1183729932 /nfs/dbraw/zinc/72/99/32/1183729932.db2.gz BGTWBDNOARHZKQ-UONOGXRCSA-N 2 0 269.433 1.704 10 0 CDAERP CCCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C ZINC001734399735 1183762812 /nfs/dbraw/zinc/76/28/12/1183762812.db2.gz OUVFZQBPEFSXCH-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001734431360 1183777461 /nfs/dbraw/zinc/77/74/61/1183777461.db2.gz YYHXZKPCTDNCFL-ZIAGYGMSSA-N 2 0 269.433 1.706 10 0 CDAERP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC001771934607 1186966450 /nfs/dbraw/zinc/96/64/50/1186966450.db2.gz XZRDNGRXHRWSPT-WYTNZGFTSA-N 2 0 286.441 1.072 10 0 CDAERP C[NH+](C)[C@H]1CCC[N@H+](C[C@@H](O)CCC2(O)CCC2)CC1 ZINC001771952299 1186978122 /nfs/dbraw/zinc/97/81/22/1186978122.db2.gz QOIZAJWHIWWESQ-GJZGRUSLSA-N 2 0 284.444 1.459 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1[NH2+]CC[C@@H]2CCCC[C@@H]12)[NH+](C)C ZINC000388516138 1187272781 /nfs/dbraw/zinc/27/27/81/1187272781.db2.gz QJNMBGFVDRASJK-XJFOESAGSA-N 2 0 267.417 1.221 10 0 CDAERP C[C@H]1C[C@H]1NC(=[NH2+])NCCC[NH+]1CCC(C)CC1 ZINC000864450731 1164544032 /nfs/dbraw/zinc/54/40/32/1164544032.db2.gz SBAOQIVYIJNVEL-QWHCGFSZSA-N 2 0 252.406 1.631 10 0 CDAERP C[C@H](CNC(=O)[C@@H](C)CC[NH+](C)C)[N@H+](C)C1CC1 ZINC001632386634 1166345052 /nfs/dbraw/zinc/34/50/52/1166345052.db2.gz PWSBQURJMSOMKE-NWDGAFQWSA-N 2 0 255.406 1.173 10 0 CDAERP CC(C)C[N@H+](C)CCN(C(=O)CC[NH+](C)C)C(C)C ZINC001507831540 975548432 /nfs/dbraw/zinc/54/84/32/975548432.db2.gz QMLCHSSFXPMYNX-UHFFFAOYSA-N 2 0 271.449 1.763 10 0 CDAERP CC[NH+](CC)CCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001566553221 1168334690 /nfs/dbraw/zinc/33/46/90/1168334690.db2.gz OBLUBGGTXRPELR-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP CC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001566633425 1168363883 /nfs/dbraw/zinc/36/38/83/1168363883.db2.gz OQTHZUDSRMKPNW-SWJNODNISA-N 2 0 293.455 1.875 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CC[NH+](C)C ZINC001272302004 912727687 /nfs/dbraw/zinc/72/76/87/912727687.db2.gz MNAUBWDNFWZGBG-ZIAGYGMSSA-N 2 0 269.433 1.469 10 0 CDAERP CC/C=C/CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001483735177 913285022 /nfs/dbraw/zinc/28/50/22/913285022.db2.gz PCHQXCNHKWWYAS-XEVLESSRSA-N 2 0 293.455 1.921 10 0 CDAERP CC[NH+](CC)CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001567347048 1168694206 /nfs/dbraw/zinc/69/42/06/1168694206.db2.gz NQCOHJYJZUECQQ-KBPBESRZSA-N 2 0 267.417 1.461 10 0 CDAERP CCCCC[N@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001266347770 894484643 /nfs/dbraw/zinc/48/46/43/894484643.db2.gz QQPHFFUCYNDBDH-AWEZNQCLSA-N 2 0 269.433 1.566 10 0 CDAERP CC(C)=CC[NH+](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001493413769 894759545 /nfs/dbraw/zinc/75/95/45/894759545.db2.gz IXZCRIVFVLZNRF-OAHLLOKOSA-N 2 0 293.455 1.875 10 0 CDAERP C[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)CC[C@@H]1C[NH3+] ZINC000693053468 894955285 /nfs/dbraw/zinc/95/52/85/894955285.db2.gz DRFCEBFFQRYRLM-MGPQQGTHSA-N 2 0 256.390 1.099 10 0 CDAERP C[NH+](C)CCCCC(=O)NC[C@@H]1CCC[N@@H+]1CC1CC1 ZINC001266489146 895043352 /nfs/dbraw/zinc/04/33/52/895043352.db2.gz XLIJVPWJCULCJU-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)CC[NH2+]CC1CCOCC1)[NH+](C)C ZINC001567511738 1168823369 /nfs/dbraw/zinc/82/33/69/1168823369.db2.gz GVBQGXILVHFGEQ-HNNXBMFYSA-N 2 0 299.459 1.047 10 0 CDAERP CCCCC[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001567517481 1168827359 /nfs/dbraw/zinc/82/73/59/1168827359.db2.gz IYICTJCPNZESFJ-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001267022663 896581175 /nfs/dbraw/zinc/58/11/75/896581175.db2.gz KVGBPFVSMVNCJS-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP CC[C@H](F)C[NH2+]CCN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001567561274 1168858158 /nfs/dbraw/zinc/85/81/58/1168858158.db2.gz HYDDDAFXRXKZDT-ZDUSSCGKSA-N 2 0 289.439 1.760 10 0 CDAERP CC(C)CC[NH2+]CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001267422078 897882715 /nfs/dbraw/zinc/88/27/15/897882715.db2.gz CFUYLRYBCMCTQY-UHFFFAOYSA-N 2 0 269.433 1.422 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]CC1CC1 ZINC001419834865 898625743 /nfs/dbraw/zinc/62/57/43/898625743.db2.gz BKVHKTXRIYLCJO-HOCLYGCPSA-N 2 0 295.471 1.953 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@@](C)(C[NH2+]CCC1CC1)C1CC1 ZINC001267847792 899866359 /nfs/dbraw/zinc/86/63/59/899866359.db2.gz CAQUDFDFHKCQHP-RDJZCZTQSA-N 2 0 293.455 1.755 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CC=C(C)C)[NH+](C)C ZINC001267970049 900117098 /nfs/dbraw/zinc/11/70/98/900117098.db2.gz OECSTTBFKDRYAL-HUUCEWRRSA-N 2 0 281.444 1.873 10 0 CDAERP CCCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001268000655 900240171 /nfs/dbraw/zinc/24/01/71/900240171.db2.gz OCCKVHNMRHNZJP-KKUMJFAQSA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)[NH2+]C[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001268008557 900272636 /nfs/dbraw/zinc/27/26/36/900272636.db2.gz AIHUVFJGCLDLTM-QWHCGFSZSA-N 2 0 255.406 1.079 10 0 CDAERP CN(CC[NH2+]Cc1ccccc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001481314480 900356849 /nfs/dbraw/zinc/35/68/49/900356849.db2.gz GRIWSYQZDWCLHU-HNNXBMFYSA-N 2 0 275.396 1.186 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268073025 901102410 /nfs/dbraw/zinc/10/24/10/901102410.db2.gz XYGGZGRXVORMGD-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CCCCCN2CC[NH2+]CC2)c2nccn21 ZINC000925844977 901724022 /nfs/dbraw/zinc/72/40/22/901724022.db2.gz DPKYJCPKGVKEJY-CABCVRRESA-N 2 0 291.443 1.554 10 0 CDAERP C[C@H](CC[NH2+]Cc1ccc(F)cc1)NC(=O)CC[NH+](C)C ZINC001268398417 901993236 /nfs/dbraw/zinc/99/32/36/901993236.db2.gz ZATCGPWIQQGANV-CYBMUJFWSA-N 2 0 295.402 1.762 10 0 CDAERP C[C@H](CC[NH2+]Cc1cccc(F)c1)NC(=O)CC[NH+](C)C ZINC001268398156 901993544 /nfs/dbraw/zinc/99/35/44/901993544.db2.gz WEVUSSVVFXCBAD-CYBMUJFWSA-N 2 0 295.402 1.762 10 0 CDAERP CCC[NH2+]CC[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001481982409 902432149 /nfs/dbraw/zinc/43/21/49/902432149.db2.gz KVAROJWLNDNBTL-HNNXBMFYSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)OCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001482114021 902655180 /nfs/dbraw/zinc/65/51/80/902655180.db2.gz WWVHVZNMZLKKOH-GJZGRUSLSA-N 2 0 299.459 1.238 10 0 CDAERP C[NH+](C)CCC(=O)NCC1C[NH+](CCC2=CCCCC2)C1 ZINC001268874371 903199291 /nfs/dbraw/zinc/19/92/91/903199291.db2.gz MAPDSZVZWAVDAP-UHFFFAOYSA-N 2 0 293.455 1.877 10 0 CDAERP CC/C=C\CC[NH+]1CC(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001268879968 903206836 /nfs/dbraw/zinc/20/68/36/903206836.db2.gz WSQRZKNBWGOYEH-LZNQSLFOSA-N 2 0 281.444 1.731 10 0 CDAERP CC[NH2+]CCCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001268962703 903280150 /nfs/dbraw/zinc/28/01/50/903280150.db2.gz VVXGTTKFWUKMAQ-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2C(C)C ZINC001268987770 903304076 /nfs/dbraw/zinc/30/40/76/903304076.db2.gz GDPJMCBOCUTQBS-STQMWFEESA-N 2 0 253.390 1.020 10 0 CDAERP CCC[NH2+]C[C@](C)(NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001269645924 904009126 /nfs/dbraw/zinc/00/91/26/904009126.db2.gz RKJNZTYCGWDLLZ-CJNGLKHVSA-N 2 0 281.444 1.613 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001270112843 904370288 /nfs/dbraw/zinc/37/02/88/904370288.db2.gz KOHYIGBPHGTLEL-QWHCGFSZSA-N 2 0 253.390 1.071 10 0 CDAERP C[NH+]1CCC(CC(=O)N2CCC[C@@H]2C[NH2+]CCF)CC1 ZINC001270143179 904395220 /nfs/dbraw/zinc/39/52/20/904395220.db2.gz HDRZLOLBXODXSQ-CQSZACIVSA-N 2 0 285.407 1.268 10 0 CDAERP CC(C)C[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001482329909 905078805 /nfs/dbraw/zinc/07/88/05/905078805.db2.gz FWMOAIFKNHPLJY-KGLIPLIRSA-N 2 0 269.433 1.421 10 0 CDAERP COCCC[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCCC1 ZINC001270819609 905095804 /nfs/dbraw/zinc/09/58/04/905095804.db2.gz VKFWZBINRIKYQZ-UHFFFAOYSA-N 2 0 297.443 1.137 10 0 CDAERP CCOCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001270830229 905115041 /nfs/dbraw/zinc/11/50/41/905115041.db2.gz PPUCSRYXXWEYJA-HOCLYGCPSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1[NH2+]CCCF ZINC001271460299 906463262 /nfs/dbraw/zinc/46/32/62/906463262.db2.gz ZOFCVUXHINGVAL-KBPBESRZSA-N 2 0 285.407 1.268 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCCF)[C@H](C)C1 ZINC001271459416 906464737 /nfs/dbraw/zinc/46/47/37/906464737.db2.gz SEQMTYPKSOALBC-ZIAGYGMSSA-N 2 0 287.423 1.513 10 0 CDAERP CCCC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001271838719 906880465 /nfs/dbraw/zinc/88/04/65/906880465.db2.gz OHKPNJFSYOMFCL-RBSFLKMASA-N 2 0 283.460 1.857 10 0 CDAERP CC[NH2+]CC[C@@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001482841978 908417925 /nfs/dbraw/zinc/41/79/25/908417925.db2.gz RLWBSINXPDGETI-CHWSQXEVSA-N 2 0 255.406 1.365 10 0 CDAERP CCN(CC[NH2+]CCF)C(=O)c1ccc2c[nH+]cn2c1C ZINC001482934313 908499960 /nfs/dbraw/zinc/49/99/60/908499960.db2.gz KERUWYKKUVBINP-UHFFFAOYSA-N 2 0 292.358 1.664 10 0 CDAERP CC(C)=CC[NH2+]C/C=C\CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001483060978 909206907 /nfs/dbraw/zinc/20/69/07/909206907.db2.gz REPGIOHYEXAZOX-XVWMLYKFSA-N 2 0 279.428 1.556 10 0 CDAERP C[C@H](CC[NH2+]CCCF)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001273017634 921564776 /nfs/dbraw/zinc/56/47/76/921564776.db2.gz CNSHYBAEOXSJHY-CHWSQXEVSA-N 2 0 273.396 1.172 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cccnc1 ZINC001409450350 910409876 /nfs/dbraw/zinc/40/98/76/910409876.db2.gz DLTKXGYCZOGKEL-UONOGXRCSA-N 2 0 292.427 1.405 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)CC1CC(C)(C)C1 ZINC001409686286 910628845 /nfs/dbraw/zinc/62/88/45/910628845.db2.gz QTUAOLKQPGRRRP-HIFRSBDPSA-N 2 0 295.471 1.811 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]C(C)C ZINC001483244031 910724040 /nfs/dbraw/zinc/72/40/40/910724040.db2.gz QADNYPJJENFOMJ-UONOGXRCSA-N 2 0 269.433 1.610 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001483385496 911048059 /nfs/dbraw/zinc/04/80/59/911048059.db2.gz XFVQOILWAMZITN-GJZGRUSLSA-N 2 0 281.444 1.731 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CCCF)[NH+](C)C ZINC001568149991 1169148114 /nfs/dbraw/zinc/14/81/14/1169148114.db2.gz KLJNBLAGQONUPY-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@](C)(NC(=O)Cn2ccnc2)C1 ZINC001484072865 915396074 /nfs/dbraw/zinc/39/60/74/915396074.db2.gz CUACZHDYMCEIGZ-INIZCTEOSA-N 2 0 292.427 1.900 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]CCF)C1 ZINC001484356352 915666245 /nfs/dbraw/zinc/66/62/45/915666245.db2.gz CMUCHOLZNCCXBV-STQMWFEESA-N 2 0 273.396 1.123 10 0 CDAERP CCCC[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCO1 ZINC001484679495 916032554 /nfs/dbraw/zinc/03/25/54/916032554.db2.gz CGXOEFZWOAXHHS-CQSZACIVSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]C/C=C\Cl ZINC001485185644 916637475 /nfs/dbraw/zinc/63/74/75/916637475.db2.gz IANOFMOENMFGLE-HTMRKKJOSA-N 2 0 275.824 1.564 10 0 CDAERP CC[N@H+](C)CCOCCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001485776708 917259419 /nfs/dbraw/zinc/25/94/19/917259419.db2.gz MIOKDWYWSNAQOW-OAHLLOKOSA-N 2 0 299.459 1.334 10 0 CDAERP CC/C=C\CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001490889426 936654415 /nfs/dbraw/zinc/65/44/15/936654415.db2.gz MJMUSDTXAGYONF-YAYUBMGZSA-N 2 0 293.455 1.920 10 0 CDAERP C[N@H+](CC(=O)N[C@H]1CC[C@@H](C[NH2+]CCF)C1)C1CCC1 ZINC001486200833 920805831 /nfs/dbraw/zinc/80/58/31/920805831.db2.gz AJZDURBEDROSKQ-OLZOCXBDSA-N 2 0 285.407 1.315 10 0 CDAERP CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001568334313 1169251705 /nfs/dbraw/zinc/25/17/05/1169251705.db2.gz LPNFCAMUNURZIR-KBPBESRZSA-N 2 0 269.433 1.611 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001491031541 936844270 /nfs/dbraw/zinc/84/42/70/936844270.db2.gz MIIUQORXAYLTIM-OKILXGFUSA-N 2 0 279.428 1.652 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nocc2C)C1)[NH+](C)C ZINC001491029368 936844412 /nfs/dbraw/zinc/84/44/12/936844412.db2.gz AFYRHAIZQKHZSY-MBNYWOFBSA-N 2 0 294.399 1.060 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CCC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001491128692 936860799 /nfs/dbraw/zinc/86/07/99/936860799.db2.gz DAKPSZPXYMKDBC-HZPDHXFCSA-N 2 0 295.471 1.957 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCC[NH+](CCCF)C2)C1 ZINC001491125602 936861980 /nfs/dbraw/zinc/86/19/80/936861980.db2.gz MLWOYUBCMARVRT-CABCVRRESA-N 2 0 299.434 1.516 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001491172210 936869741 /nfs/dbraw/zinc/86/97/41/936869741.db2.gz BYJLLKQFYKVQFI-HOTGVXAUSA-N 2 0 295.471 1.812 10 0 CDAERP CC(C)COCC[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001491502622 936926065 /nfs/dbraw/zinc/92/60/65/936926065.db2.gz ANUFGDBYUSCHFZ-HUUCEWRRSA-N 2 0 299.459 1.238 10 0 CDAERP CCN(CC[NH2+]CCC(C)C)C(=O)C12CC[NH+](CC1)C2 ZINC001273710284 924793422 /nfs/dbraw/zinc/79/34/22/924793422.db2.gz PEFAWFLFOFCODK-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP CCN(CC[NH2+]Cc1ccns1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001273753553 925236288 /nfs/dbraw/zinc/23/62/88/925236288.db2.gz UTWOKPMJIZKUOS-GFCCVEGCSA-N 2 0 296.440 1.033 10 0 CDAERP CCC(CC)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001410214004 925408109 /nfs/dbraw/zinc/40/81/09/925408109.db2.gz BYGRSOYDNXUMMX-JYJNAYRXSA-N 2 0 295.471 1.859 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CC ZINC001489116409 926798730 /nfs/dbraw/zinc/79/87/30/926798730.db2.gz DDPMABFPFSLZQS-QWHCGFSZSA-N 2 0 267.417 1.460 10 0 CDAERP CCCCC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001489299497 926857630 /nfs/dbraw/zinc/85/76/30/926857630.db2.gz DCCGDEVZIJMQPI-CABCVRRESA-N 2 0 293.455 1.851 10 0 CDAERP O=C(NC/C=C\C[NH2+]CCCF)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001274429181 931499570 /nfs/dbraw/zinc/49/95/70/931499570.db2.gz BGTAJMVTIQNBQG-PGGLMVFNSA-N 2 0 297.418 1.625 10 0 CDAERP CC/C=C/CC[NH2+]C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001274985855 931624972 /nfs/dbraw/zinc/62/49/72/931624972.db2.gz IBDFAIQIFQTTSN-ISZGNANSSA-N 2 0 279.428 1.533 10 0 CDAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]C/C=C\Cl ZINC001275149951 931680908 /nfs/dbraw/zinc/68/09/08/931680908.db2.gz SLMYCJKMMTVSKC-XEBOPQQMSA-N 2 0 287.835 1.706 10 0 CDAERP CC(C)CC[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001275208755 931699944 /nfs/dbraw/zinc/69/99/44/931699944.db2.gz AEYZVEYZAFUYLX-YMAMQOFZSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H](C)[NH2+]CC1CC1 ZINC001275472213 931814969 /nfs/dbraw/zinc/81/49/69/931814969.db2.gz VXHAXNYCNDULJX-NWDGAFQWSA-N 2 0 267.417 1.221 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]CC2CCC2)C(C)(C)C1 ZINC001449102321 932261942 /nfs/dbraw/zinc/26/19/42/932261942.db2.gz ZKWSSWVAACZPBE-CQSZACIVSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H](CNC(=O)CC[N@@H+]1CC[C@H](F)C1)C[NH+]1CCCC1 ZINC001412439391 932431065 /nfs/dbraw/zinc/43/10/65/932431065.db2.gz CHZWMCZOSXOETL-KBPBESRZSA-N 2 0 285.407 1.268 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N(CC[NH+](C)C)C1CCCC1 ZINC001412526842 932468243 /nfs/dbraw/zinc/46/82/43/932468243.db2.gz JUHVIECSWHGJCF-AWEZNQCLSA-N 2 0 283.460 1.907 10 0 CDAERP CC[C@H](C(=O)N(C)CCC[NH2+]CCC(F)(F)F)[NH+](C)C ZINC001276071808 932492178 /nfs/dbraw/zinc/49/21/78/932492178.db2.gz UUPPUPXZIDCNGF-LLVKDONJSA-N 2 0 297.365 1.717 10 0 CDAERP C[NH+]1CCC(C)(CNC(=O)CC[N@@H+]2CC[C@@H](F)C2)CC1 ZINC001412729363 932678534 /nfs/dbraw/zinc/67/85/34/932678534.db2.gz OCSUBWHKLWQZGV-CYBMUJFWSA-N 2 0 285.407 1.268 10 0 CDAERP C[C@H]1COC[C@H](C)C1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000925215803 932860502 /nfs/dbraw/zinc/86/05/02/932860502.db2.gz PFODKCQRYITDGJ-KBPBESRZSA-N 2 0 283.460 1.273 10 0 CDAERP CC1(C)[C@@H]([NH2+]CCOc2ncccc2F)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925614964 932915030 /nfs/dbraw/zinc/91/50/30/932915030.db2.gz DCYAQZRLQTWVBA-XBFCOCLRSA-N 2 0 293.386 1.966 10 0 CDAERP COC(=O)N1CCC([C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925645050 932920054 /nfs/dbraw/zinc/92/00/54/932920054.db2.gz OSZLYMYPYLHAFJ-FPMFFAJLSA-N 2 0 295.427 1.713 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000925726026 932932605 /nfs/dbraw/zinc/93/26/05/932932605.db2.gz PNDSNAKOARGRJI-XDQVBPFNSA-N 3 0 253.434 2.000 10 0 CDAERP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001490857590 934570597 /nfs/dbraw/zinc/57/05/97/934570597.db2.gz PRLGLLJWKZMAKV-XFCCUVRLSA-N 2 0 293.455 1.875 10 0 CDAERP C[N@@H+]1C[C@]23C[NH+](C[C@@H]4COC(C)(C)O4)C[C@@]2(C1)CCCC3 ZINC001413099927 935903684 /nfs/dbraw/zinc/90/36/84/935903684.db2.gz RPATWJFMCFYQJI-OIISXLGYSA-N 2 0 294.439 1.946 10 0 CDAERP O=C(CC[N@H+]1CC[C@H](F)C1)N[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC001413222696 935956202 /nfs/dbraw/zinc/95/62/02/935956202.db2.gz MLXGCKCZYSDSEE-ZNMIVQPWSA-N 2 0 297.418 1.553 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)C[C@H]([NH3+])C(C)(C)C ZINC000136948182 938585118 /nfs/dbraw/zinc/58/51/18/938585118.db2.gz KXSJSFZELCJDGN-NEPJUHHUSA-N 2 0 255.406 1.303 10 0 CDAERP CC/C=C\CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001276414190 939696262 /nfs/dbraw/zinc/69/62/62/939696262.db2.gz MAQYYTYPAMCYJJ-YMYIHSNWSA-N 2 0 293.455 1.873 10 0 CDAERP CCCCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001329442660 939737276 /nfs/dbraw/zinc/73/72/76/939737276.db2.gz SLCWJGOQQFXBEY-RBSFLKMASA-N 2 0 283.460 1.953 10 0 CDAERP Cc1nnc(CC[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)s1 ZINC000405232562 940976104 /nfs/dbraw/zinc/97/61/04/940976104.db2.gz BQOFQLJWOGHHQE-UWVGGRQHSA-N 2 0 252.387 1.249 10 0 CDAERP [NH3+][C@H]1C[C@@H]([NH2+]CCOCC(F)(F)F)C12CCC2 ZINC000405376443 940986435 /nfs/dbraw/zinc/98/64/35/940986435.db2.gz BLPQLMNISPCRCM-DTWKUNHWSA-N 2 0 252.280 1.425 10 0 CDAERP CCN(CC[NH2+]CC1CCC1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001568775970 1169471699 /nfs/dbraw/zinc/47/16/99/1169471699.db2.gz RWJKIXWSFGUUHE-CQSZACIVSA-N 2 0 281.444 1.566 10 0 CDAERP CCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCO1 ZINC001280567655 942463006 /nfs/dbraw/zinc/46/30/06/942463006.db2.gz RZAPLDZXLRKHNV-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)[NH2+]CC1(NC(=O)CCCC[NH+](C)C)CCOCC1 ZINC001281280650 942556129 /nfs/dbraw/zinc/55/61/29/942556129.db2.gz UYIUSHDYHSGIIP-UHFFFAOYSA-N 2 0 299.459 1.382 10 0 CDAERP C[C@H](CCC[NH2+]CCF)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001283229630 942861884 /nfs/dbraw/zinc/86/18/84/942861884.db2.gz OLNBHCXURLARKT-RDBSUJKOSA-N 2 0 287.423 1.561 10 0 CDAERP CN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)[C@H]1CCC[N@H+](C)C1 ZINC001362178083 970980008 /nfs/dbraw/zinc/98/00/08/970980008.db2.gz OZRXQZKTFJBUCO-ILXRZTDVSA-N 2 0 281.444 1.659 10 0 CDAERP CC(C)[NH2+][C@H](C)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001277938067 944128746 /nfs/dbraw/zinc/12/87/46/944128746.db2.gz NSQSMMAZTRPRDK-CHWSQXEVSA-N 2 0 255.406 1.173 10 0 CDAERP C[N@H+](CCCNC(=O)C[NH+]1CCCC1)Cc1cncs1 ZINC001265068312 944221019 /nfs/dbraw/zinc/22/10/19/944221019.db2.gz FQYJSUPKIQCZDT-UHFFFAOYSA-N 2 0 296.440 1.177 10 0 CDAERP CC(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001265380216 944367450 /nfs/dbraw/zinc/36/74/50/944367450.db2.gz KLJFUEQSVQZUCG-KGLIPLIRSA-N 2 0 267.417 1.079 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCCF)C1 ZINC001265448026 944391446 /nfs/dbraw/zinc/39/14/46/944391446.db2.gz HPADYAZQFQYWBW-LSDHHAIUSA-N 2 0 299.434 1.799 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CCCF)C1 ZINC001265613954 944447273 /nfs/dbraw/zinc/44/72/73/944447273.db2.gz ZOPXXNCQPFTCQL-CABCVRRESA-N 2 0 299.434 1.659 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CCCC[C@@H]1C[NH2+]CCF ZINC001265687929 944469456 /nfs/dbraw/zinc/46/94/56/944469456.db2.gz JOSMVDIYMNRRRD-CQSZACIVSA-N 2 0 287.423 1.659 10 0 CDAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CCC1CC1 ZINC001265824450 944525753 /nfs/dbraw/zinc/52/57/53/944525753.db2.gz WTRPZHWCXSGGSZ-OLZOCXBDSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001277997538 944539757 /nfs/dbraw/zinc/53/97/57/944539757.db2.gz NAGSQBLXCOIJPN-OAHLLOKOSA-N 2 0 279.428 1.629 10 0 CDAERP CCC/C=C\CC[NH2+][C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001265852165 944540629 /nfs/dbraw/zinc/54/06/29/944540629.db2.gz WUOAPBASJSZMJU-YVACAVLKSA-N 2 0 293.455 1.923 10 0 CDAERP C[N@H+](CCCNC(=O)CC1CC[NH+](C)CC1)CC1CC1 ZINC001265933654 944579933 /nfs/dbraw/zinc/57/99/33/944579933.db2.gz PXHYMBZSYFVUDB-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCF)C1 ZINC001265977149 944611626 /nfs/dbraw/zinc/61/16/26/944611626.db2.gz UXJDLPNIFNTPNM-ZIAGYGMSSA-N 2 0 285.407 1.267 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]C/C=C\Cl)C1 ZINC001266032031 944642046 /nfs/dbraw/zinc/64/20/46/944642046.db2.gz OZKSFKQJZCLABJ-RYWCDNDXSA-N 2 0 287.835 1.519 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CCF)C1CC1 ZINC001266138740 944709362 /nfs/dbraw/zinc/70/93/62/944709362.db2.gz RUFJJAQCJUAEMO-HNNXBMFYSA-N 2 0 299.434 1.799 10 0 CDAERP C[C@@H](CCNC(=O)C12CCC[NH+]1CCC2)[NH2+]CCCF ZINC001266158376 944722921 /nfs/dbraw/zinc/72/29/21/944722921.db2.gz MZCWLYAPSTYVEG-ZDUSSCGKSA-N 2 0 285.407 1.459 10 0 CDAERP COCCCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]1C ZINC001278325381 946167661 /nfs/dbraw/zinc/16/76/61/946167661.db2.gz IUKASTYQRHMPKZ-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CNC(=O)CCC[NH+](C)C ZINC001491566071 946348726 /nfs/dbraw/zinc/34/87/26/946348726.db2.gz QNKANVXDWBPYFV-ZDUSSCGKSA-N 2 0 255.406 1.389 10 0 CDAERP CN(C[C@@H]1CC[N@@H+]1CC[C@@H]1CCCO1)C(=O)CC[NH+](C)C ZINC001479241637 971272149 /nfs/dbraw/zinc/27/21/49/971272149.db2.gz FAXZJUKARUHIPI-GJZGRUSLSA-N 2 0 297.443 1.040 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](C/C=C\Cl)CC[C@@H]2C1 ZINC001479670609 971362287 /nfs/dbraw/zinc/36/22/87/971362287.db2.gz YSQAQMRIARNJJM-UZBOCLDFSA-N 2 0 299.846 1.471 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001362535827 971379683 /nfs/dbraw/zinc/37/96/83/971379683.db2.gz QXXHPUPDMLSOMD-LXTVHRRPSA-N 2 0 281.444 1.706 10 0 CDAERP CCOCC[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001479791693 971420993 /nfs/dbraw/zinc/42/09/93/971420993.db2.gz HBZXKUCGSRYQSG-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@](C)(C[NH2+]CCF)C1 ZINC001278491843 948709171 /nfs/dbraw/zinc/70/91/71/948709171.db2.gz VMYBAWCCTLXNLM-GDBMZVCRSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001569027504 1169602544 /nfs/dbraw/zinc/60/25/44/1169602544.db2.gz IHWRRNQCVVRLLO-CQSZACIVSA-N 2 0 297.443 1.158 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H]([NH2+]CC(C)C)C2CC2)CC[N@@H+]1C ZINC001480020660 971540567 /nfs/dbraw/zinc/54/05/67/971540567.db2.gz KHTRLEOSLSINQR-ARFHVFGLSA-N 2 0 295.471 1.857 10 0 CDAERP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N3C[C@H]4CC[NH+](C)[C@H]4C3)C[N@@H+]2C1 ZINC001362713649 971553330 /nfs/dbraw/zinc/55/33/30/971553330.db2.gz NIVDOCAJEQOIQL-SUJAAXHWSA-N 2 0 291.439 1.269 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]([NH2+]CCC2CC2)C1 ZINC001480154483 971605678 /nfs/dbraw/zinc/60/56/78/971605678.db2.gz MNSPWHDQCNUAFD-HDJSIYSDSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001569056646 1169620770 /nfs/dbraw/zinc/62/07/70/1169620770.db2.gz KLBPIWYTWITYHC-GJZGRUSLSA-N 2 0 281.444 1.920 10 0 CDAERP CN(C(=O)C1([NH+](C)C)CCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001362818443 971642041 /nfs/dbraw/zinc/64/20/41/971642041.db2.gz UNMFOSFWOVZKPJ-YIONKMFJSA-N 2 0 293.455 1.944 10 0 CDAERP CC(C)CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001480276011 971656329 /nfs/dbraw/zinc/65/63/29/971656329.db2.gz IGDXJHKWKFLGDW-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]CCF)[NH+]1CCCCC1 ZINC001569098824 1169645011 /nfs/dbraw/zinc/64/50/11/1169645011.db2.gz GTAICGIJNOJHAF-UONOGXRCSA-N 2 0 287.423 1.561 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]C(C)C ZINC001480471368 971744961 /nfs/dbraw/zinc/74/49/61/971744961.db2.gz FPGUNXUNVKFAHM-STQMWFEESA-N 2 0 255.406 1.364 10 0 CDAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1ccsc1 ZINC001480535975 971774266 /nfs/dbraw/zinc/77/42/66/971774266.db2.gz BIEHNPCWKVIVPT-QWHCGFSZSA-N 2 0 295.452 1.684 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+]CC1=CCCCC1 ZINC001480565466 971786690 /nfs/dbraw/zinc/78/66/90/971786690.db2.gz MWPFGOFJDAZEQZ-AWEZNQCLSA-N 2 0 281.444 1.923 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH2+]CC=C(Cl)Cl ZINC001480597724 971800339 /nfs/dbraw/zinc/80/03/39/971800339.db2.gz SWKUYWWXOQYOCK-JTQLQIEISA-N 2 0 296.242 1.740 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001480649447 971825017 /nfs/dbraw/zinc/82/50/17/971825017.db2.gz WBTWSOVKCFSPHM-OAHLLOKOSA-N 2 0 293.455 1.875 10 0 CDAERP OC1CCC(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC001324400857 953372162 /nfs/dbraw/zinc/37/21/62/953372162.db2.gz FVRRUSKREDOXAM-HWOWSKLDSA-N 2 0 266.429 1.955 10 0 CDAERP CCC(C)(C)[NH+]1CCN(C(=O)[C@@H](C)CC[NH+](C)C)CC1 ZINC001363168778 971941711 /nfs/dbraw/zinc/94/17/11/971941711.db2.gz SSAJTTDKIGQZHP-AWEZNQCLSA-N 2 0 283.460 1.907 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001363765083 953764233 /nfs/dbraw/zinc/76/42/33/953764233.db2.gz WBSAQHGUVNHTLQ-STQMWFEESA-N 2 0 273.396 1.123 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CCCF ZINC001569168972 1169700416 /nfs/dbraw/zinc/70/04/16/1169700416.db2.gz LJLDLBHXHSJBAP-KBPBESRZSA-N 2 0 287.423 1.562 10 0 CDAERP CC[C@@]1(C(=O)NCCC[N@H+](C)CC(C)C)CC[NH2+]C1 ZINC001326588772 954446109 /nfs/dbraw/zinc/44/61/09/954446109.db2.gz KPVPIAIIPASMJQ-OAHLLOKOSA-N 2 0 269.433 1.470 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC001294490601 954515307 /nfs/dbraw/zinc/51/53/07/954515307.db2.gz BDQPZEGHWOHZRL-CYBMUJFWSA-N 2 0 267.417 1.317 10 0 CDAERP CC[N@@H+]1C[C@H](C)N(C(=O)[C@H](C)CC[NH+](C)C)C[C@@H]1C ZINC001295827279 954756454 /nfs/dbraw/zinc/75/64/54/954756454.db2.gz BAIDOOGICHLWJS-RDBSUJKOSA-N 2 0 269.433 1.515 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1CC[N@H+](CC)CC1(C)C)[NH+](C)C ZINC001328098729 955189560 /nfs/dbraw/zinc/18/95/60/955189560.db2.gz PLYISOIDFRKTPZ-CHWSQXEVSA-N 2 0 269.433 1.563 10 0 CDAERP COC[C@@H](C)[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001364837535 955215647 /nfs/dbraw/zinc/21/56/47/955215647.db2.gz NRWSAFPLWYEQDJ-CQSZACIVSA-N 2 0 270.417 1.334 10 0 CDAERP CN(C[C@H](O)C[N@H+](C)C[C@]12CCC[C@H]1OCC2)C1CC1 ZINC001364836920 955216595 /nfs/dbraw/zinc/21/65/95/955216595.db2.gz OGFPQMLNZOVGNO-BZUAXINKSA-N 2 0 282.428 1.333 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCCC1CCC1 ZINC001491672266 955379233 /nfs/dbraw/zinc/37/92/33/955379233.db2.gz GDWIQUZURKTQMX-UKRRQHHQSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](CCC3CC3)CC2)CC[N@@H+]1C ZINC001364944412 955405711 /nfs/dbraw/zinc/40/57/11/955405711.db2.gz OGFRIRKNZGYELX-JKSUJKDBSA-N 2 0 293.455 1.661 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]CC=C(C)C)C1 ZINC001491849009 955467678 /nfs/dbraw/zinc/46/76/78/955467678.db2.gz BBOZNRDEGQPFTM-OAHLLOKOSA-N 2 0 281.444 1.733 10 0 CDAERP C[C@@H](F)CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CCC1 ZINC001421754845 955526118 /nfs/dbraw/zinc/52/61/18/955526118.db2.gz UDDNBLVIYIFMFD-KGLIPLIRSA-N 2 0 299.434 1.847 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC2CC(C[NH2+]CCC3CC3)C2)C1 ZINC001328940268 955568402 /nfs/dbraw/zinc/56/84/02/955568402.db2.gz FLPVXOZZHQUZHI-FHERZECASA-N 2 0 293.455 1.613 10 0 CDAERP CCCCCC[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001492215046 955712386 /nfs/dbraw/zinc/71/23/86/955712386.db2.gz KERKJPHUCQWZTG-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CCOC)CC1(C)C)[NH+](C)C ZINC001422086513 955737877 /nfs/dbraw/zinc/73/78/77/955737877.db2.gz YDJRSQPNVPWUJI-KGLIPLIRSA-N 2 0 299.459 1.190 10 0 CDAERP COCC[NH2+]C1CCC(N(C)C(=O)C[N@H+](C)C(C)C)CC1 ZINC001329257036 955783358 /nfs/dbraw/zinc/78/33/58/955783358.db2.gz VBHPOEIDVCNXSU-UHFFFAOYSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2cn[nH]c2)CC1 ZINC001365286683 955831110 /nfs/dbraw/zinc/83/11/10/955831110.db2.gz BODGNEGFQWDZIE-GFCCVEGCSA-N 2 0 293.415 1.049 10 0 CDAERP CN(CC[N@H+](C)CCc1ccns1)C(=O)CC[NH+](C)C ZINC001422199703 955833142 /nfs/dbraw/zinc/83/31/42/955833142.db2.gz OZHSKMWIMWAHMW-UHFFFAOYSA-N 2 0 298.456 1.028 10 0 CDAERP CC(C)[NH2+][C@H](CCN(C)C(=O)C[NH+]1CCCC1)C(C)C ZINC001422671074 956245683 /nfs/dbraw/zinc/24/56/83/956245683.db2.gz SVSHDSQTZAFJDA-OAHLLOKOSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)CC[N@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001317467574 956339616 /nfs/dbraw/zinc/33/96/16/956339616.db2.gz VQUWQXYZFCNFLL-UHFFFAOYSA-N 2 0 267.417 1.176 10 0 CDAERP CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CCC)C1CC1 ZINC001366049206 956531133 /nfs/dbraw/zinc/53/11/33/956531133.db2.gz XYYACLJUBLPFTH-GJZGRUSLSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@H](C(=O)N1CC[C@H]([NH2+]CCC(F)(F)F)C1)[NH+](C)C ZINC001366096513 956559865 /nfs/dbraw/zinc/55/98/65/956559865.db2.gz WXWYTQYKORDFLI-WDEREUQCSA-N 2 0 295.349 1.470 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH2+]C/C=C\Cl)C2)C1 ZINC001366097231 956560022 /nfs/dbraw/zinc/56/00/22/956560022.db2.gz DXEPPEDDERBWKJ-UVCYKKNVSA-N 2 0 285.819 1.271 10 0 CDAERP CC[C@H](C)C[NH2+][C@H](C)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001423110056 956593018 /nfs/dbraw/zinc/59/30/18/956593018.db2.gz PUHJVPNAZKMXBY-UONOGXRCSA-N 2 0 283.460 1.811 10 0 CDAERP CC[N@@H+](CC=C(C)C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001317481253 956674840 /nfs/dbraw/zinc/67/48/40/956674840.db2.gz DMOOMTJOIOAPSE-OAHLLOKOSA-N 2 0 281.444 1.875 10 0 CDAERP CC[C@H](C)C[NH+]1CC(N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001423408848 956766359 /nfs/dbraw/zinc/76/63/59/956766359.db2.gz XWIVZFDSXOALDJ-ZFWWWQNUSA-N 2 0 283.460 1.761 10 0 CDAERP C[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)Cc1ccsc1 ZINC001316866205 956772330 /nfs/dbraw/zinc/77/23/30/956772330.db2.gz ZIVRCVUNRLQSIX-AWEZNQCLSA-N 2 0 295.452 1.638 10 0 CDAERP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1nccs1 ZINC001366512691 956895662 /nfs/dbraw/zinc/89/56/62/956895662.db2.gz XCIHSOFFTLOFGP-NWDGAFQWSA-N 2 0 296.440 1.079 10 0 CDAERP CN(CCC[NH2+]CCC1CC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001569257335 1169738287 /nfs/dbraw/zinc/73/82/87/1169738287.db2.gz CMRZGVHTJCDBEE-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP Cc1ccccc1C[N@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001366587920 956999413 /nfs/dbraw/zinc/99/94/13/956999413.db2.gz RUALTACXNAMIAB-UHFFFAOYSA-N 2 0 289.423 1.639 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC[N@@H+](C)CC2CC2)C1 ZINC001366587468 956999926 /nfs/dbraw/zinc/99/99/26/956999926.db2.gz XCUFYLKLXAMPKQ-CABCVRRESA-N 2 0 281.444 1.565 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C/C=C\Cl)C1CC1 ZINC001316921769 957124942 /nfs/dbraw/zinc/12/49/42/957124942.db2.gz OWVJVYJLALOOHJ-LEPFTWFBSA-N 2 0 299.846 1.804 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001316984430 957179511 /nfs/dbraw/zinc/17/95/11/957179511.db2.gz KXQSUZIBQCHYLL-DPOFCPOHSA-N 2 0 279.428 1.627 10 0 CDAERP CCCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](CC)C1 ZINC001366804555 957192890 /nfs/dbraw/zinc/19/28/90/957192890.db2.gz IFMLBVDKRNZBOQ-CABCVRRESA-N 2 0 281.444 1.804 10 0 CDAERP CCOCCC[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001317060850 957236937 /nfs/dbraw/zinc/23/69/37/957236937.db2.gz OLJRZZDUZKPKJK-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001317068931 957243664 /nfs/dbraw/zinc/24/36/64/957243664.db2.gz ALSNKXQJUYZTKO-KBPBESRZSA-N 2 0 269.433 1.563 10 0 CDAERP C[N@H+](CCCF)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001366907550 957261982 /nfs/dbraw/zinc/26/19/82/957261982.db2.gz LUNBDVKACRXMER-KGLIPLIRSA-N 2 0 285.407 1.221 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCC(C)(C)C ZINC001317231227 957361928 /nfs/dbraw/zinc/36/19/28/957361928.db2.gz YIKRIGSWSBBTCS-CHWSQXEVSA-N 2 0 269.433 1.611 10 0 CDAERP COCC[NH2+][C@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001317246273 957377589 /nfs/dbraw/zinc/37/75/89/957377589.db2.gz UTYSHYGAHDSVLF-LLVKDONJSA-N 2 0 299.440 1.164 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CC1CC(C)C1 ZINC001317267702 957391333 /nfs/dbraw/zinc/39/13/33/957391333.db2.gz XIYCVHCSWGMEFT-CPCZMJQVSA-N 2 0 255.406 1.079 10 0 CDAERP CC[C@@H](C(=O)NC[C@H](C)[N@H+](C)C(C)C)[NH+](CC)CC ZINC001425005708 957442945 /nfs/dbraw/zinc/44/29/45/957442945.db2.gz BQCDACFOEOKXPW-KBPBESRZSA-N 2 0 271.449 1.952 10 0 CDAERP CCCC[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001317380061 957443302 /nfs/dbraw/zinc/44/33/02/957443302.db2.gz XUECANLJUAHYFV-AWEZNQCLSA-N 2 0 269.433 1.661 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)[N@H+](C)CC1CCCC1)[NH+](C)C ZINC001425096302 957469317 /nfs/dbraw/zinc/46/93/17/957469317.db2.gz UZVLZWUBQSEYOA-DZGCQCFKSA-N 2 0 283.460 1.953 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001317434976 957469462 /nfs/dbraw/zinc/46/94/62/957469462.db2.gz PDLAKEDCOJEDBQ-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CC/C=C/CC[NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001317626986 957608546 /nfs/dbraw/zinc/60/85/46/957608546.db2.gz QRKZTZZERBHZOY-LLYBFZRZSA-N 2 0 281.444 1.733 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)CC[NH2+]CC1CCC1)[NH+]1CCCC1 ZINC001317665169 957629282 /nfs/dbraw/zinc/62/92/82/957629282.db2.gz PQCQUCPGSVDMEX-INIZCTEOSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@H]12 ZINC001425902990 957638955 /nfs/dbraw/zinc/63/89/55/957638955.db2.gz JWOGXRVFOCTIPQ-GOEBONIOSA-N 2 0 279.428 1.604 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]C/C=C\Cl ZINC001367108515 957677907 /nfs/dbraw/zinc/67/79/07/957677907.db2.gz WZVIZQXCSGBKAK-UWNIJABGSA-N 2 0 287.835 1.708 10 0 CDAERP CCCCC[NH+]1CC(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001318128565 957935997 /nfs/dbraw/zinc/93/59/97/957935997.db2.gz PPLDWBOFKJUPBR-HNNXBMFYSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@@H](F)CC[NH+]1CC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001367332514 957937241 /nfs/dbraw/zinc/93/72/41/957937241.db2.gz BZTIGVLXDVKSLZ-CQSZACIVSA-N 2 0 299.434 1.611 10 0 CDAERP CC(C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC[NH+](C)C ZINC001318224333 957979962 /nfs/dbraw/zinc/97/99/62/957979962.db2.gz RPWWCUBGCZKJNB-KBPBESRZSA-N 2 0 267.417 1.412 10 0 CDAERP CC[NH2+]C[C@@H](C)N(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001367382109 957982714 /nfs/dbraw/zinc/98/27/14/957982714.db2.gz NAIYDWVFRQLVMI-DOMZBBRYSA-N 2 0 287.423 1.655 10 0 CDAERP COCCCCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001318303048 958019757 /nfs/dbraw/zinc/01/97/57/958019757.db2.gz XDKBHUFKZNTLEH-HNNXBMFYSA-N 2 0 297.443 1.089 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]([NH2+]C/C=C/Cl)C(C)C)[NH+](C)C ZINC001367474298 958040439 /nfs/dbraw/zinc/04/04/39/958040439.db2.gz RCNNKPPBCFJWJL-WUOSCTTQSA-N 2 0 289.851 1.810 10 0 CDAERP CCC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001318445750 958106895 /nfs/dbraw/zinc/10/68/95/958106895.db2.gz PQRHPXTYFUXKFV-ZDUSSCGKSA-N 2 0 255.406 1.269 10 0 CDAERP COc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)ccc1F ZINC001333175005 958130442 /nfs/dbraw/zinc/13/04/42/958130442.db2.gz BNJMFPGBWQNAPN-PWSUYJOCSA-N 2 0 252.333 1.779 10 0 CDAERP CN(CC[N@H+](C)CCC(C)(C)C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001367555081 958130947 /nfs/dbraw/zinc/13/09/47/958130947.db2.gz YDWGTVBWTNDBNN-CQSZACIVSA-N 2 0 283.460 1.765 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001367698639 958226388 /nfs/dbraw/zinc/22/63/88/958226388.db2.gz OLNQLTYVIHWJLX-UONOGXRCSA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)C[C@H](C)C[N@@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001367965167 958519959 /nfs/dbraw/zinc/51/99/59/958519959.db2.gz LIDFKIHVLUJPGN-GJZGRUSLSA-N 2 0 283.460 1.811 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH2+]C/C=C\Cl)CC2)C1 ZINC001368028425 958591278 /nfs/dbraw/zinc/59/12/78/958591278.db2.gz NDRRSOUTBJLGFU-DBGMKRSLSA-N 2 0 285.819 1.319 10 0 CDAERP CC[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CC(C)C ZINC001494980813 972362409 /nfs/dbraw/zinc/36/24/09/972362409.db2.gz HWBGUTBEOCZRMT-GJZGRUSLSA-N 2 0 281.444 1.469 10 0 CDAERP CC(C)C[NH2+]C[C@@]1(C)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001368204008 958698597 /nfs/dbraw/zinc/69/85/97/958698597.db2.gz JWALASNKNRMNOB-MRXNPFEDSA-N 2 0 281.444 1.566 10 0 CDAERP CN(CCC[N@H+](C)CCF)C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001368551186 958955792 /nfs/dbraw/zinc/95/57/92/958955792.db2.gz ZEWWXCBAGDTDGY-LSDHHAIUSA-N 2 0 299.434 1.753 10 0 CDAERP CC[NH2+]CC[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001320586743 959259702 /nfs/dbraw/zinc/25/97/02/959259702.db2.gz HBLSAMQBQRPVQV-CYBMUJFWSA-N 2 0 255.406 1.223 10 0 CDAERP CC[C@H](C)C[NH2+]CCN(CC)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001320892069 959441974 /nfs/dbraw/zinc/44/19/74/959441974.db2.gz YKVPSIJZYNHMHU-GJZGRUSLSA-N 2 0 283.460 1.812 10 0 CDAERP O=C(NC/C=C\C[NH2+]C/C=C/Cl)[C@@H]1C[NH+]2CCC1CC2 ZINC001321063958 959569239 /nfs/dbraw/zinc/56/92/39/959569239.db2.gz JNORKVSDFNUHST-VXYFHFMPSA-N 2 0 297.830 1.343 10 0 CDAERP C[C@H](F)CC[NH2+]C/C=C\CNC(=O)C1([NH+](C)C)CCC1 ZINC001321092729 959586711 /nfs/dbraw/zinc/58/67/11/959586711.db2.gz RVGOJLKMOORHRC-ZFDPJTLLSA-N 2 0 285.407 1.481 10 0 CDAERP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1 ZINC001369306047 959620884 /nfs/dbraw/zinc/62/08/84/959620884.db2.gz OUGFIZCYCBIJBU-ZBFHGGJFSA-N 2 0 289.423 1.575 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+][C@H](C)c1cccc(F)c1 ZINC001371355193 972484087 /nfs/dbraw/zinc/48/40/87/972484087.db2.gz XTEBHXLVULZBSK-CHWSQXEVSA-N 2 0 295.402 1.933 10 0 CDAERP C[C@@H](C[N@H+](C)CCCCCF)NC(=O)C12CC[NH+](CC1)C2 ZINC001322282164 960168181 /nfs/dbraw/zinc/16/81/81/960168181.db2.gz VVHPTIMQBSLJJN-AWEZNQCLSA-N 2 0 299.434 1.659 10 0 CDAERP COC[C@@H](C)[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001322506137 960242225 /nfs/dbraw/zinc/24/22/25/960242225.db2.gz XDBQUVKRBNXGLN-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP CN(CCC[NH2+]CC1CCC1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001322510900 960245689 /nfs/dbraw/zinc/24/56/89/960245689.db2.gz CNFDTQNDHPATOM-MRXNPFEDSA-N 2 0 293.455 1.566 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CCC[NH2+]CC2CC2)C1 ZINC001322658576 960289716 /nfs/dbraw/zinc/28/97/16/960289716.db2.gz YQMLQJOLFLAAPO-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP CC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1cncc(F)c1)[NH+](C)C ZINC001371416530 972510785 /nfs/dbraw/zinc/51/07/85/972510785.db2.gz IFDMKAIIRMNBOE-FZMZJTMJSA-N 2 0 296.390 1.155 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1CCC1CC1 ZINC001418595844 960775062 /nfs/dbraw/zinc/77/50/62/960775062.db2.gz AMVGZHPAMWRRBG-OAHLLOKOSA-N 2 0 281.444 1.659 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001418652183 960849565 /nfs/dbraw/zinc/84/95/65/960849565.db2.gz HKVSQHMQVAPTHR-YIYPIFLZSA-N 2 0 287.423 1.559 10 0 CDAERP CC[C@@H](F)C[NH2+][C@@H]1C[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001418652179 960853637 /nfs/dbraw/zinc/85/36/37/960853637.db2.gz HKVSQHMQVAPTHR-MQYQWHSLSA-N 2 0 287.423 1.559 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)C1 ZINC001418714448 960939029 /nfs/dbraw/zinc/93/90/29/960939029.db2.gz RQWQMSGJKLOZDO-FVQBIDKESA-N 2 0 279.428 1.128 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[C@H]3C[NH+](C)C[C@H]32)CC[N@@H+]1C ZINC001434419886 961341235 /nfs/dbraw/zinc/34/12/35/961341235.db2.gz WWIOZVQFQCBZHR-VQJWOFKYSA-N 2 0 279.428 1.173 10 0 CDAERP C[C@@H](CN1CCOCC1)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC001434485271 961508126 /nfs/dbraw/zinc/50/81/26/961508126.db2.gz LUDDVRMNWRFDQI-CVEARBPZSA-N 2 0 283.460 1.371 10 0 CDAERP C[C@@H]([NH2+]CCF)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001436668847 962335805 /nfs/dbraw/zinc/33/58/05/962335805.db2.gz NUUHHXZLHBFYNR-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH+](C)C[C@@H]1CC[C@@H](C)O1 ZINC001420057388 962430881 /nfs/dbraw/zinc/43/08/81/962430881.db2.gz FAUTVPXXKUXGKW-CABCVRRESA-N 2 0 299.459 1.284 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001436870070 962466961 /nfs/dbraw/zinc/46/69/61/962466961.db2.gz QCSFGCCPWWQNMK-RDBSUJKOSA-N 2 0 285.407 1.409 10 0 CDAERP Cc1ncoc1C[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001420298122 962703305 /nfs/dbraw/zinc/70/33/05/962703305.db2.gz HAFQSTCKFGQJCS-LLVKDONJSA-N 2 0 294.399 1.062 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001420491472 962974405 /nfs/dbraw/zinc/97/44/05/962974405.db2.gz DDCWBQGKIYYOJF-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@H]1CCC[N@@H+]1CC ZINC001437665897 963111630 /nfs/dbraw/zinc/11/16/30/963111630.db2.gz ZQDXTLWVAUDXON-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]CC2CCCC2)C2CC2)C1 ZINC001420788856 963239786 /nfs/dbraw/zinc/23/97/86/963239786.db2.gz OMXYTVXMNZCNBX-CVEARBPZSA-N 2 0 293.455 1.613 10 0 CDAERP CCCN(C(=O)[C@@H]1CN(CC)CCO1)[C@H]1CC[N@H+](CC)C1 ZINC001420821383 963272347 /nfs/dbraw/zinc/27/23/47/963272347.db2.gz BTKIHFOXAIWWGX-GJZGRUSLSA-N 2 0 297.443 1.040 10 0 CDAERP CCCN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](CC2CC2)C1 ZINC001420826550 963280077 /nfs/dbraw/zinc/28/00/77/963280077.db2.gz KYKQEGWBYBHALY-INIZCTEOSA-N 2 0 293.455 1.805 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](CCC2CC2)C1 ZINC001438250468 963383621 /nfs/dbraw/zinc/38/36/21/963383621.db2.gz FOEMVOMLSZJUAQ-OAHLLOKOSA-N 2 0 281.444 1.659 10 0 CDAERP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC[C@H]1CCCO1 ZINC001438362181 963431176 /nfs/dbraw/zinc/43/11/76/963431176.db2.gz DQDFYTHIHKFEDG-HUUCEWRRSA-N 2 0 297.443 1.136 10 0 CDAERP CC[N@H+](C)CCC(=O)NCC1C[NH+](Cc2ccsc2)C1 ZINC001421176136 963485232 /nfs/dbraw/zinc/48/52/32/963485232.db2.gz XBZLWLICUGNOGJ-UHFFFAOYSA-N 2 0 295.452 1.638 10 0 CDAERP C[C@H](C[N@H+](C)CCCF)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001439343881 963730729 /nfs/dbraw/zinc/73/07/29/963730729.db2.gz UPSUBUZQFJLWCD-CQSZACIVSA-N 2 0 299.434 1.659 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCC[NH+](C)C ZINC001440255486 963958044 /nfs/dbraw/zinc/95/80/44/963958044.db2.gz UDZGWVAAOWWTJJ-UONOGXRCSA-N 2 0 287.423 1.609 10 0 CDAERP CC[NH+](CC)CCNC(=O)C1([NH+](C)C)CCCC1 ZINC001440527819 964102855 /nfs/dbraw/zinc/10/28/55/964102855.db2.gz IFOKBDXMBOKDSZ-UHFFFAOYSA-N 2 0 255.406 1.319 10 0 CDAERP CCC[N@H+](CC)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001440701304 964137049 /nfs/dbraw/zinc/13/70/49/964137049.db2.gz GMISRFRDYCJXJV-UHFFFAOYSA-N 2 0 283.460 1.909 10 0 CDAERP CC[C@@H](F)C[NH2+]CC1CC(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001440755187 964159000 /nfs/dbraw/zinc/15/90/00/964159000.db2.gz AGYPWWJEWFNKDS-HNFVBEJKSA-N 2 0 299.434 1.561 10 0 CDAERP CC(C)OCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001440938431 964272880 /nfs/dbraw/zinc/27/28/80/964272880.db2.gz VCIZLFYTIHNHHW-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP CC[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(C)C)C[C@H]21)[NH+](C)C ZINC001441295808 964451997 /nfs/dbraw/zinc/45/19/97/964451997.db2.gz ZWYULOWDYVHPDD-XQLPTFJDSA-N 2 0 281.444 1.277 10 0 CDAERP CC(C)OCC[N@@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001441579351 964599005 /nfs/dbraw/zinc/59/90/05/964599005.db2.gz WOKHSIPXLAPMHD-OAHLLOKOSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)N(CC[N@@H+](C)C[C@@H](C)O)C(=O)[C@@H]1CCCC[NH+]1C ZINC001442118771 964874121 /nfs/dbraw/zinc/87/41/21/964874121.db2.gz OAZRHUYXJMAWMC-CABCVRRESA-N 2 0 299.459 1.020 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001346056430 964901167 /nfs/dbraw/zinc/90/11/67/964901167.db2.gz PKSFRMAXQXJXAD-YNEHKIRRSA-N 2 0 265.401 1.295 10 0 CDAERP CC(C)CC[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001442404577 965039324 /nfs/dbraw/zinc/03/93/24/965039324.db2.gz LVUWEQUMUTVQKC-HNNXBMFYSA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@@H](C[N@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCC1)OC ZINC001442581198 965123795 /nfs/dbraw/zinc/12/37/95/965123795.db2.gz YYSIESFKMCMTPB-AWEZNQCLSA-N 2 0 299.459 1.334 10 0 CDAERP CC[N@H+](CCCF)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001442658715 965165951 /nfs/dbraw/zinc/16/59/51/965165951.db2.gz AEWJKSUXLKOVMB-CQSZACIVSA-N 2 0 285.407 1.126 10 0 CDAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001442806917 965227368 /nfs/dbraw/zinc/22/73/68/965227368.db2.gz GSKSMKWMNPWFOH-CQSZACIVSA-N 2 0 297.443 1.088 10 0 CDAERP CC[N@H+](CCNC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001443014579 965321488 /nfs/dbraw/zinc/32/14/88/965321488.db2.gz VNLVYUJJDIUNBH-UHFFFAOYSA-N 2 0 286.379 1.857 10 0 CDAERP C[C@H](F)CC[N@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)C1CC1 ZINC001443036016 965327247 /nfs/dbraw/zinc/32/72/47/965327247.db2.gz VDPXBLQWQZWFPV-KGLIPLIRSA-N 2 0 299.434 1.657 10 0 CDAERP O=C(NCC[N@H+](CC1CCC1)C1CC1)C12CC[NH+](CC1)C2 ZINC001443041492 965331904 /nfs/dbraw/zinc/33/19/04/965331904.db2.gz CMHRPFSEADDJTH-UHFFFAOYSA-N 2 0 291.439 1.463 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)NCC[C@H]1CC[N@H+](CC)C1 ZINC001443248934 965414903 /nfs/dbraw/zinc/41/49/03/965414903.db2.gz JBLFTNRYDGRISX-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)[NH2+]C[C@@](C)(NC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001444151163 965743672 /nfs/dbraw/zinc/74/36/72/965743672.db2.gz NIEJBQUKWUCDSF-XJKSGUPXSA-N 2 0 281.444 1.611 10 0 CDAERP O=C(CC[N@H+]1CC[C@@H](F)C1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001444208498 965761053 /nfs/dbraw/zinc/76/10/53/965761053.db2.gz JLNRMUGDBVUBEY-HUUCEWRRSA-N 2 0 297.418 1.507 10 0 CDAERP Cc1ncsc1C[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+](C)C ZINC001444670255 965918737 /nfs/dbraw/zinc/91/87/37/965918737.db2.gz RNBFQASUFBRBQE-LLVKDONJSA-N 2 0 298.456 1.340 10 0 CDAERP CC(C)[NH2+]C[C@@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001445960054 966401115 /nfs/dbraw/zinc/40/11/15/966401115.db2.gz JBFGHBAAKDBSCY-HUUCEWRRSA-N 2 0 281.444 1.754 10 0 CDAERP O=C(N[C@H](C[NH2+]CC1CCC1)C1CC1)C12CC[NH+](CC1)C2 ZINC001445998620 966410705 /nfs/dbraw/zinc/41/07/05/966410705.db2.gz ZYPLZSQGKUCMLI-OAHLLOKOSA-N 2 0 291.439 1.367 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001446975826 966672385 /nfs/dbraw/zinc/67/23/85/966672385.db2.gz VXYGZFLWKRWNBV-CABCVRRESA-N 2 0 295.471 1.668 10 0 CDAERP C[C@H](F)CC[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CCC1 ZINC001447249710 966734104 /nfs/dbraw/zinc/73/41/04/966734104.db2.gz LAAJZLRIGBORAM-ZDUSSCGKSA-N 2 0 297.418 1.459 10 0 CDAERP CC(C)OCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001447630357 966835725 /nfs/dbraw/zinc/83/57/25/966835725.db2.gz HIHDULYMHOWMGZ-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)[NH2+]Cc1ccns1 ZINC001447907299 966925967 /nfs/dbraw/zinc/92/59/67/966925967.db2.gz RMIQCLHEAMPVDW-GHMZBOCLSA-N 2 0 284.429 1.078 10 0 CDAERP CC(C)CC[NH+]1CC([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001448362359 967082805 /nfs/dbraw/zinc/08/28/05/967082805.db2.gz RJHMYFPADHSVGK-CQSZACIVSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N2CCC[NH+](C)CC2)C1 ZINC001540284990 967129510 /nfs/dbraw/zinc/12/95/10/967129510.db2.gz QKTGCHSCHPZSSA-AWEZNQCLSA-N 2 0 267.417 1.271 10 0 CDAERP C[NH+](C)CCc1cccc(C(=O)NCC2([NH+](C)C)CC2)c1 ZINC001469152492 970225865 /nfs/dbraw/zinc/22/58/65/970225865.db2.gz HNMSGPKFTRUZAE-UHFFFAOYSA-N 2 0 289.423 1.615 10 0 CDAERP C[NH+](C)CCCCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001520928063 970244437 /nfs/dbraw/zinc/24/44/37/970244437.db2.gz PTZLIICYODQFHN-MGPQQGTHSA-N 2 0 267.417 1.175 10 0 CDAERP CC1CC[NH+](CCNC(=O)CC[N@@H+]2CC[C@H](F)C2)CC1 ZINC001361804107 970547630 /nfs/dbraw/zinc/54/76/30/970547630.db2.gz OBCIQGNFAAAWHG-AWEZNQCLSA-N 2 0 285.407 1.268 10 0 CDAERP CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001361958244 970714431 /nfs/dbraw/zinc/71/44/31/970714431.db2.gz HWGBNMKNRBPOKI-KKUMJFAQSA-N 2 0 281.444 1.707 10 0 CDAERP CO[C@@H](C)C[NH2+][C@@H](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001371803551 972642402 /nfs/dbraw/zinc/64/24/02/972642402.db2.gz AHUXBOUILFSXBQ-KBPBESRZSA-N 2 0 299.459 1.380 10 0 CDAERP C[C@H](C[NH2+]CCCF)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001496076308 972784870 /nfs/dbraw/zinc/78/48/70/972784870.db2.gz BHLXQQWKHGTSSN-GFCCVEGCSA-N 2 0 273.396 1.267 10 0 CDAERP Cc1cccc(C[NH+](C)CCNC(=O)C[N@@H+](C)C(C)C)c1 ZINC001372243807 972870649 /nfs/dbraw/zinc/87/06/49/972870649.db2.gz ONBWWHALTNFUCB-UHFFFAOYSA-N 2 0 291.439 1.883 10 0 CDAERP CC[C@H](C(=O)NCC[N@H+](CC)CC1CCCC1)[NH+](C)C ZINC001372363912 972933589 /nfs/dbraw/zinc/93/35/89/972933589.db2.gz VWYCYBUOUHCIAA-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C[C@H](F)CC ZINC001372745885 973106432 /nfs/dbraw/zinc/10/64/32/973106432.db2.gz DOPRSGIMOIHOJK-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP CC[C@@H](F)C[NH2+]CCN(CC)C(=O)C1([NH+](C)C)CCC1 ZINC001497401515 973333419 /nfs/dbraw/zinc/33/34/19/973333419.db2.gz UNYRQHPCYWVTBU-CYBMUJFWSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC001417809632 973396825 /nfs/dbraw/zinc/39/68/25/973396825.db2.gz AKCLKVGNXUKCGV-KFWWJZLASA-N 2 0 281.444 1.659 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001417849843 973416230 /nfs/dbraw/zinc/41/62/30/973416230.db2.gz QIAYIFOIHHOEPZ-ZNMIVQPWSA-N 2 0 295.471 1.953 10 0 CDAERP COCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H]1C ZINC001417857185 973421176 /nfs/dbraw/zinc/42/11/76/973421176.db2.gz RGROEVSXUQPDQO-KGLIPLIRSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)CC[NH+]1CC(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001373482793 973459715 /nfs/dbraw/zinc/45/97/15/973459715.db2.gz PQQJBBWXWDKFQX-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC001418081373 973572830 /nfs/dbraw/zinc/57/28/30/973572830.db2.gz BIIACWRJQVZIJB-GOOCMWNKSA-N 2 0 281.444 1.847 10 0 CDAERP CC(C)[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCF)[NH+](C)C ZINC001418082609 973573000 /nfs/dbraw/zinc/57/30/00/973573000.db2.gz HOOBMXICKVEZKI-DKUMPPAJSA-N 2 0 299.434 1.654 10 0 CDAERP CC(C)CC[NH2+][C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001418228058 973683388 /nfs/dbraw/zinc/68/33/88/973683388.db2.gz QMKIGKQLFGSWJB-UKRRQHHQSA-N 2 0 281.444 1.469 10 0 CDAERP C[C@@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]C[C@H]1CCCCO1 ZINC001418433658 973821327 /nfs/dbraw/zinc/82/13/27/973821327.db2.gz SUCDPPJZULNSOC-LSDHHAIUSA-N 2 0 297.443 1.136 10 0 CDAERP CC[C@H](C)C[NH+]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001374298018 973881184 /nfs/dbraw/zinc/88/11/84/973881184.db2.gz GKUCUIXOEAMTMN-GOEBONIOSA-N 2 0 293.455 1.519 10 0 CDAERP CC[C@H](C)C[NH+]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001374298022 973881914 /nfs/dbraw/zinc/88/19/14/973881914.db2.gz GKUCUIXOEAMTMN-HOCLYGCPSA-N 2 0 293.455 1.519 10 0 CDAERP CC[N@H+](C)CCC(=O)NCC[NH+](C)CCC(C)(C)C ZINC001418511133 973919264 /nfs/dbraw/zinc/91/92/64/973919264.db2.gz XKTRWCRQRRCSJY-UHFFFAOYSA-N 2 0 271.449 1.812 10 0 CDAERP CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]CCCOC ZINC001498897613 974097315 /nfs/dbraw/zinc/09/73/15/974097315.db2.gz HJFMBGXPDHMUOK-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP CCc1nocc1C[NH2+]C[C@@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001374776567 974114098 /nfs/dbraw/zinc/11/40/98/974114098.db2.gz LWKBYDSJCWLRQT-BXUZGUMPSA-N 2 0 296.415 1.172 10 0 CDAERP C[C@H](C[NH2+]CC1CC(F)(F)C1)NC(=O)C[NH+]1CCCC1 ZINC001374847229 974145613 /nfs/dbraw/zinc/14/56/13/974145613.db2.gz NJHXICVPFVYORQ-LLVKDONJSA-N 2 0 289.370 1.222 10 0 CDAERP CC(C)CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001499230630 974218281 /nfs/dbraw/zinc/21/82/81/974218281.db2.gz BIMCDGKPDUDJLB-ZIAGYGMSSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCF ZINC001499909524 974332339 /nfs/dbraw/zinc/33/23/39/974332339.db2.gz WNCFJVBYFAPIQT-LSDHHAIUSA-N 2 0 299.434 1.657 10 0 CDAERP Cc1cncc(C[NH2+]C2(CNC(=O)CC[NH+](C)C)CC2)c1 ZINC001375464428 974392640 /nfs/dbraw/zinc/39/26/40/974392640.db2.gz HTUQGESMYIZRHN-UHFFFAOYSA-N 2 0 290.411 1.080 10 0 CDAERP CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001500347493 974426361 /nfs/dbraw/zinc/42/63/61/974426361.db2.gz HFLMIPBRDWOROE-SQWLQELKSA-N 2 0 281.444 1.565 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CC[C@@H]([NH2+]CCF)C1 ZINC001375576393 974429132 /nfs/dbraw/zinc/42/91/32/974429132.db2.gz LSVVQPFOISKDSR-ZNMIVQPWSA-N 2 0 299.434 1.705 10 0 CDAERP CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001500378869 974429489 /nfs/dbraw/zinc/42/94/89/974429489.db2.gz YRQUFLWDJYPKTN-ZFWWWQNUSA-N 2 0 269.433 1.565 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC2(C1)CC[NH+](CCF)CC2 ZINC001375629459 974439359 /nfs/dbraw/zinc/43/93/59/974439359.db2.gz GEUGHQAAJYRKMJ-UHFFFAOYSA-N 2 0 285.407 1.222 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001376291650 974623500 /nfs/dbraw/zinc/62/35/00/974623500.db2.gz JBCZEZMZHGVDLB-LSDHHAIUSA-N 2 0 283.460 1.907 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccnc2)C1)[NH+](C)C ZINC001376487637 974674756 /nfs/dbraw/zinc/67/47/56/974674756.db2.gz IPNJITGBFWDQGF-QLFBSQMISA-N 2 0 290.411 1.159 10 0 CDAERP CC(C)[NH2+]CC[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001376559881 974686355 /nfs/dbraw/zinc/68/63/55/974686355.db2.gz FWNVUZZJOUNLEN-AWEZNQCLSA-N 2 0 279.428 1.319 10 0 CDAERP CCCC[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001502754338 974775943 /nfs/dbraw/zinc/77/59/43/974775943.db2.gz OXCTWAWZVOIYPK-KGLIPLIRSA-N 2 0 279.428 1.319 10 0 CDAERP Cc1cc(C)cc(C[NH2+][C@H](C)CNC(=O)CC[NH+](C)C)c1 ZINC001376811993 974778769 /nfs/dbraw/zinc/77/87/69/974778769.db2.gz OEYHHKNPRSCDOW-OAHLLOKOSA-N 2 0 291.439 1.849 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]CCc1ccccc1 ZINC001376878466 974800531 /nfs/dbraw/zinc/80/05/31/974800531.db2.gz KUQCWDVAVKLJMC-HNNXBMFYSA-N 2 0 291.439 1.664 10 0 CDAERP Cc1c(C(=O)N[C@@H](C)[C@H](C)[NH2+]CCF)ccc2c[nH+]cn21 ZINC001505640831 974947050 /nfs/dbraw/zinc/94/70/50/974947050.db2.gz KQYNKSBNVNRWFN-QWRGUYRKSA-N 2 0 292.358 1.709 10 0 CDAERP C[C@@H]([NH2+]CCc1ccccc1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001505685295 974962845 /nfs/dbraw/zinc/96/28/45/974962845.db2.gz GLBGCADOFFGSMG-CABCVRRESA-N 2 0 291.439 1.664 10 0 CDAERP Cc1ncc(C[NH2+][C@H](C)[C@H](C)NC(=O)C[N@@H+](C)C(C)C)o1 ZINC001505760830 974985323 /nfs/dbraw/zinc/98/53/23/974985323.db2.gz PIFMLNVRPXUQSR-NEPJUHHUSA-N 2 0 296.415 1.306 10 0 CDAERP CN(C(=O)CCC[NH+](C)C)C1CCC([NH2+]CCCO)CC1 ZINC001505785111 974989432 /nfs/dbraw/zinc/98/94/32/974989432.db2.gz XKHUEQLBBUEIMP-UHFFFAOYSA-N 2 0 299.459 1.070 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)CCCC1CCC1 ZINC001506056730 975103205 /nfs/dbraw/zinc/10/32/05/975103205.db2.gz NSQSJTGHNFISKY-GOEBONIOSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)COCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001506056094 975103685 /nfs/dbraw/zinc/10/36/85/975103685.db2.gz AHWQEBWUPNLBIL-GJZGRUSLSA-N 2 0 299.459 1.047 10 0 CDAERP O=C(C[NH+]1CCCC1)NCC[C@@H]1CC[N@@H+](C/C=C/Cl)C1 ZINC001377719569 975118800 /nfs/dbraw/zinc/11/88/00/975118800.db2.gz KZWPWZYHHFNBRT-BOTMBNHJSA-N 2 0 299.846 1.663 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001377843329 975152782 /nfs/dbraw/zinc/15/27/82/975152782.db2.gz AWDZACQAVCUJPX-QWHCGFSZSA-N 2 0 283.460 1.857 10 0 CDAERP CC(C)C[N@@H+]1C[C@@H](NC(=O)CCn2ccnc2)C(C)(C)C1 ZINC001506744258 975214406 /nfs/dbraw/zinc/21/44/06/975214406.db2.gz MSFZOVJXUGZCBP-CQSZACIVSA-N 2 0 292.427 1.756 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[N@H+](C)CCCF ZINC001378039035 975214884 /nfs/dbraw/zinc/21/48/84/975214884.db2.gz CYJCTGPHLBJEAV-GXTWGEPZSA-N 2 0 285.407 1.124 10 0 CDAERP CC[C@H](F)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001506827788 975228378 /nfs/dbraw/zinc/22/83/78/975228378.db2.gz CGSPVTRZRZQKRI-ZQDZILKHSA-N 2 0 299.434 1.369 10 0 CDAERP CC(C)C[N@H+](C)[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001378076429 975233294 /nfs/dbraw/zinc/23/32/94/975233294.db2.gz UMGOVUJMOPGPRH-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]C/C=C\Cl)C1 ZINC001506907800 975255341 /nfs/dbraw/zinc/25/53/41/975255341.db2.gz YQSCWGMWPHCPCY-ONTYGWCMSA-N 2 0 287.835 1.564 10 0 CDAERP CC(C)OCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001378165764 975269753 /nfs/dbraw/zinc/26/97/53/975269753.db2.gz VLWRDPJESLLEMM-CABCVRRESA-N 2 0 297.443 1.038 10 0 CDAERP CC(C)C[NH+]1CC([C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001378537555 975382813 /nfs/dbraw/zinc/38/28/13/975382813.db2.gz IPJYWHRYIMTZFA-ZIAGYGMSSA-N 2 0 281.444 1.421 10 0 CDAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C[NH2+]CC1CCCC1 ZINC001378611557 975415933 /nfs/dbraw/zinc/41/59/33/975415933.db2.gz WUMIITJHGPRHRY-LSDHHAIUSA-N 2 0 295.471 1.860 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N(C)C[C@H]2CC[NH+]2CCCF)C1 ZINC001397009018 975435407 /nfs/dbraw/zinc/43/54/07/975435407.db2.gz DCDQEGFZQHVLFB-UONOGXRCSA-N 2 0 285.407 1.221 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C1CCCCC1 ZINC001378894794 975533907 /nfs/dbraw/zinc/53/39/07/975533907.db2.gz QJQIYXLULZZPNR-HNNXBMFYSA-N 2 0 281.444 1.757 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001508016385 975575497 /nfs/dbraw/zinc/57/54/97/975575497.db2.gz SILJZZRRSJVJQR-STQMWFEESA-N 2 0 289.439 1.807 10 0 CDAERP CC[NH+]1CCC([C@@H](C)NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001508058909 975595154 /nfs/dbraw/zinc/59/51/54/975595154.db2.gz JNLNWPOIJHKVPW-CYBMUJFWSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[C@H](C(=O)N(C)C1CC([NH2+]CCF)C1)[NH+]1CCCC1 ZINC001508154737 975622249 /nfs/dbraw/zinc/62/22/49/975622249.db2.gz KEKDUFAKGVXGHZ-YMAMQOFZSA-N 2 0 299.434 1.655 10 0 CDAERP CCC[NH2+]C1CC(N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001508141173 975622585 /nfs/dbraw/zinc/62/25/85/975622585.db2.gz PDYCMGXCZWHZIY-WXRRBKDZSA-N 2 0 255.406 1.316 10 0 CDAERP CC(C)CC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001379649644 975986685 /nfs/dbraw/zinc/98/66/85/975986685.db2.gz GAKNVFYVQGYSQY-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+]2CC2CCC2)C1 ZINC001401924525 976011626 /nfs/dbraw/zinc/01/16/26/976011626.db2.gz UHXFEAGDRSYCAR-HIFRSBDPSA-N 2 0 279.428 1.319 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC001379694811 976016552 /nfs/dbraw/zinc/01/65/52/976016552.db2.gz ZCBBHPYCYRRSHZ-OLZOCXBDSA-N 2 0 275.412 1.511 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001401948630 976034535 /nfs/dbraw/zinc/03/45/35/976034535.db2.gz PLVQKFKWBMSZHA-JHJVBQTASA-N 2 0 285.407 1.313 10 0 CDAERP CO[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001398600518 976065144 /nfs/dbraw/zinc/06/51/44/976065144.db2.gz BAAUHEHRQWQOBN-BYNSBNAKSA-N 2 0 297.443 1.131 10 0 CDAERP CC(C)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001398621476 976081603 /nfs/dbraw/zinc/08/16/03/976081603.db2.gz GTMYMGPIGPJLDY-OKILXGFUSA-N 2 0 283.460 1.857 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH+](C)C[C@@H]1CCCCO1 ZINC001406179168 976081898 /nfs/dbraw/zinc/08/18/98/976081898.db2.gz VVJSTIHPDFOYDF-HNNXBMFYSA-N 2 0 299.459 1.286 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001390010345 976083769 /nfs/dbraw/zinc/08/37/69/976083769.db2.gz YKODFIGNRJRPRG-SKXBYLJPSA-N 2 0 273.808 1.318 10 0 CDAERP Cc1oncc1C[NH2+]C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001402055722 976102097 /nfs/dbraw/zinc/10/20/97/976102097.db2.gz HXDLPVCHDFTLSS-CQSZACIVSA-N 2 0 294.399 1.015 10 0 CDAERP CC(C)[NH2+]C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001379901644 976122227 /nfs/dbraw/zinc/12/22/27/976122227.db2.gz YPAUXMVSQWAGSH-AWEZNQCLSA-N 2 0 281.444 1.754 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001406405001 976169161 /nfs/dbraw/zinc/16/91/61/976169161.db2.gz KJSFVLYFJJQONX-YPMHNXCESA-N 2 0 273.396 1.171 10 0 CDAERP CC[C@H](C[NH2+]C1CCC(NC(=O)CC[NH+](C)C)CC1)OC ZINC001398843812 976172558 /nfs/dbraw/zinc/17/25/58/976172558.db2.gz RWEOQGALPMMIIQ-YMAMQOFZSA-N 2 0 299.459 1.380 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001402217608 976182376 /nfs/dbraw/zinc/18/23/76/976182376.db2.gz HZRKJBBCESTEFR-HUUCEWRRSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccccn1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001406483000 976218534 /nfs/dbraw/zinc/21/85/34/976218534.db2.gz HYZWQFFXIZWCON-ZFWWWQNUSA-N 2 0 290.411 1.160 10 0 CDAERP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]C/C=C/Cl ZINC001398912661 976235713 /nfs/dbraw/zinc/23/57/13/976235713.db2.gz CUCOKYPEHDAHIG-JOVKLMRISA-N 2 0 287.835 1.706 10 0 CDAERP C[C@@H](F)CC[NH2+][C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001398951842 976266197 /nfs/dbraw/zinc/26/61/97/976266197.db2.gz PKONZTRIUANYND-NEPJUHHUSA-N 2 0 273.396 1.313 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC[C@H](C)F)C1 ZINC001402463057 976296388 /nfs/dbraw/zinc/29/63/88/976296388.db2.gz NPGTZLKUEAYLIN-STQMWFEESA-N 2 0 273.396 1.267 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]CCC2CC2)CCN1C(=O)CC[NH+](C)C ZINC001380264846 976317363 /nfs/dbraw/zinc/31/73/63/976317363.db2.gz GNJRMUXJUSWKCM-ZFWWWQNUSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H](C[N@H+](C)CCCF)NC(=O)CC[C@H]1CCC[NH+]1C ZINC001406641821 976324062 /nfs/dbraw/zinc/32/40/62/976324062.db2.gz YTNPTBRQDGMERZ-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001402543948 976352056 /nfs/dbraw/zinc/35/20/56/976352056.db2.gz HRNMGRNVFWZQBX-OLZOCXBDSA-N 2 0 285.407 1.457 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCC2)C1)[NH+](C)C ZINC001402632703 976412422 /nfs/dbraw/zinc/41/24/22/976412422.db2.gz PTJVZIFBZPMBIZ-OWCLPIDISA-N 2 0 295.471 2.000 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001402790745 976482544 /nfs/dbraw/zinc/48/25/44/976482544.db2.gz SEZCIKBXEYQOHM-GJZGRUSLSA-N 2 0 281.444 1.707 10 0 CDAERP C[N@H+](CCCF)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001399556003 976561996 /nfs/dbraw/zinc/56/19/96/976561996.db2.gz GOTLWJDFTOAMJQ-UHFFFAOYSA-N 2 0 273.396 1.268 10 0 CDAERP CC(C)[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CC[NH+](C)C ZINC001402897912 976569667 /nfs/dbraw/zinc/56/96/67/976569667.db2.gz LVVNCHPYMRCTMB-NVXWUHKLSA-N 2 0 289.423 1.718 10 0 CDAERP C[NH+](C)CCC(=O)NCC1([NH2+]C[C@@H]2CCCCO2)CCC1 ZINC001380876707 976589797 /nfs/dbraw/zinc/58/97/97/976589797.db2.gz GIDNTPIWVGXWJH-AWEZNQCLSA-N 2 0 297.443 1.136 10 0 CDAERP CC[C@H](F)C[N@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001399697623 976637428 /nfs/dbraw/zinc/63/74/28/976637428.db2.gz ZMHKJILNKPCPIP-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP CO[C@H](C)C[NH2+]C1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001403038296 976675748 /nfs/dbraw/zinc/67/57/48/976675748.db2.gz GCUANWBSSOLPPW-WLYUNCDWSA-N 2 0 299.459 1.332 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[NH+](CC(C)C)C2 ZINC001407497168 976683804 /nfs/dbraw/zinc/68/38/04/976683804.db2.gz QDHABDJJOSXHCN-JYJNAYRXSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@@H](F)CC[N@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001381305138 976754049 /nfs/dbraw/zinc/75/40/49/976754049.db2.gz YXLUGXCAKBYUNC-ZIAGYGMSSA-N 2 0 287.423 1.609 10 0 CDAERP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[N@H+](C)CC1CCCC1 ZINC001403169268 976778644 /nfs/dbraw/zinc/77/86/44/976778644.db2.gz NOEVBZMCKFRHGI-CQSZACIVSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001391372380 976845904 /nfs/dbraw/zinc/84/59/04/976845904.db2.gz ACOQITOMHGQGAP-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP CCC[N@H+](C)CC(=O)NCC1C[NH+](CC[C@@H](C)F)C1 ZINC001391515677 976927889 /nfs/dbraw/zinc/92/78/89/976927889.db2.gz MBIIKRSSZMNOQE-GFCCVEGCSA-N 2 0 273.396 1.124 10 0 CDAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1C[NH+](CC2CCC2)C1 ZINC001391521809 976929291 /nfs/dbraw/zinc/92/92/91/976929291.db2.gz FJTOYEDOAPZZGQ-KBPBESRZSA-N 2 0 293.455 1.707 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[NH+](C(C)C)C[C@H]2C1 ZINC001403419323 976944252 /nfs/dbraw/zinc/94/42/52/976944252.db2.gz QBLJOURBBGBYFO-BZUAXINKSA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001403435945 976951715 /nfs/dbraw/zinc/95/17/15/976951715.db2.gz HQBNWASOTCZYTA-DZKIICNBSA-N 2 0 295.471 1.859 10 0 CDAERP C[N@H+](CCF)CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001400252959 976954721 /nfs/dbraw/zinc/95/47/21/976954721.db2.gz YCZNAZXDHJOGJD-UHFFFAOYSA-N 2 0 285.407 1.222 10 0 CDAERP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC1CCC1 ZINC001391699847 977050786 /nfs/dbraw/zinc/05/07/86/977050786.db2.gz FESYXYNJWMUBON-LSDHHAIUSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccsc1 ZINC001403589110 977086587 /nfs/dbraw/zinc/08/65/87/977086587.db2.gz RRHSCPKWHQEAFE-GXTWGEPZSA-N 2 0 295.452 1.779 10 0 CDAERP C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)[NH2+]CC[C@H](C)F ZINC001403602565 977096574 /nfs/dbraw/zinc/09/65/74/977096574.db2.gz WZOCKSSOGYHTJX-QWHCGFSZSA-N 2 0 287.423 1.513 10 0 CDAERP Cc1nocc1C[NH2+][C@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001382311846 977244833 /nfs/dbraw/zinc/24/48/33/977244833.db2.gz JIPIHPMOLOUUTH-FZMZJTMJSA-N 2 0 294.399 1.014 10 0 CDAERP CCCC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001404011081 977304850 /nfs/dbraw/zinc/30/48/50/977304850.db2.gz BSNUWEHGKVAMOB-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP CCC(CC)C[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001404013927 977307807 /nfs/dbraw/zinc/30/78/07/977307807.db2.gz DZOJJEBOYGOFDT-FHERZECASA-N 2 0 295.471 1.953 10 0 CDAERP CCC[N@H+](C)C[C@H](O)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001404039864 977315458 /nfs/dbraw/zinc/31/54/58/977315458.db2.gz ZBLOKWFFDQYGAY-AWEZNQCLSA-N 2 0 299.459 1.022 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)NC[C@H]1CC[N@@H+]1C(C)C ZINC001392834466 977612767 /nfs/dbraw/zinc/61/27/67/977612767.db2.gz LUYGISOBLUMILC-OLZOCXBDSA-N 2 0 273.396 1.265 10 0 CDAERP CC[C@H](C(=O)NC[C@@]1(C)CCC[N@H+](CC2CC2)C1)[NH+](C)C ZINC001393210279 977733182 /nfs/dbraw/zinc/73/31/82/977733182.db2.gz WLPCNIKKUOXCIN-NVXWUHKLSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001393525802 977819411 /nfs/dbraw/zinc/81/94/11/977819411.db2.gz SDKVVPJGPHIBNZ-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP CN(CCC[N@H+](C)CCF)C(=O)CC[C@H]1CCC[NH+]1C ZINC001393623858 977868638 /nfs/dbraw/zinc/86/86/38/977868638.db2.gz ZQDJZJXGFBAZIQ-CQSZACIVSA-N 2 0 287.423 1.611 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH+](C)CC1CCC1 ZINC001393639415 977881629 /nfs/dbraw/zinc/88/16/29/977881629.db2.gz DSTOIRJDKQSTSH-UHFFFAOYSA-N 2 0 283.460 1.907 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H]([NH2+]CCC(C)C)C1 ZINC001393744010 977905503 /nfs/dbraw/zinc/90/55/03/977905503.db2.gz DMQZLIOKFDANAR-LSDHHAIUSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001393957607 977983700 /nfs/dbraw/zinc/98/37/00/977983700.db2.gz ZNXDHKDOPUWMPA-KBPBESRZSA-N 2 0 281.444 1.754 10 0 CDAERP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]CC1CC(C)(C)C1 ZINC001394556645 978202866 /nfs/dbraw/zinc/20/28/66/978202866.db2.gz FXLRATWXSXZUGU-AWEZNQCLSA-N 2 0 295.471 1.955 10 0 CDAERP CN(C[C@H]1CC[N@@H+]1CC1CC(C)(C)C1)C(=O)CC[NH+](C)C ZINC001396989864 978567067 /nfs/dbraw/zinc/56/70/67/978567067.db2.gz DKTXWPWESSVRCB-OAHLLOKOSA-N 2 0 295.471 1.907 10 0 CDAERP CC(C)C[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001676679683 1174253977 /nfs/dbraw/zinc/25/39/77/1174253977.db2.gz CSBOEWMZAOCIFD-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CCC[NH2+]C[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C(C)(C)C ZINC001677281815 1174344686 /nfs/dbraw/zinc/34/46/86/1174344686.db2.gz NGWJKRNVARVYER-UONOGXRCSA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001571257075 1170356331 /nfs/dbraw/zinc/35/63/31/1170356331.db2.gz JCCXHRYACGSSGB-GDBMZVCRSA-N 2 0 295.471 1.859 10 0 CDAERP CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001571254144 1170355599 /nfs/dbraw/zinc/35/55/99/1170355599.db2.gz WEPNGHLAEHEVHA-KGLIPLIRSA-N 2 0 269.433 1.754 10 0 CDAERP CC[N@H+](C)CCN(C(=O)C1CC[NH+](C)CC1)C(C)C ZINC001571614468 1170496697 /nfs/dbraw/zinc/49/66/97/1170496697.db2.gz IMKAWHAICIRYAL-UHFFFAOYSA-N 2 0 269.433 1.517 10 0 CDAERP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@]2(CCOC2=O)C1 ZINC001655919683 1171743793 /nfs/dbraw/zinc/74/37/93/1171743793.db2.gz WGRGBMKVWDPSAD-GXTWGEPZSA-N 2 0 252.358 1.110 10 0 CDAERP C/C=C\C[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)CC)C1 ZINC000626163554 342477240 /nfs/dbraw/zinc/47/72/40/342477240.db2.gz MGFGWVITZVDWLC-FAKDPMAQSA-N 2 0 254.418 1.977 10 0 CDAERP CCC(C)(C)[NH2+]C[C@H](O)CO[C@@H]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000675079496 539085878 /nfs/dbraw/zinc/08/58/78/539085878.db2.gz GVQXMFFZMDYZMH-BYNSBNAKSA-N 2 0 284.444 1.673 10 0 CDAERP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650708879 398154165 /nfs/dbraw/zinc/15/41/65/398154165.db2.gz SADVSEHNMLJMLY-XUWVNRHRSA-N 3 0 283.460 1.578 10 0 CDAERP [NH3+]CC1(CC[NH2+]Cc2ccc3c(c2)OCCO3)CC1 ZINC000650712032 398154714 /nfs/dbraw/zinc/15/47/14/398154714.db2.gz NQTWRPWLLCTIQD-UHFFFAOYSA-N 2 0 262.353 1.676 10 0 CDAERP [NH3+]CC1(CC[NH2+]Cc2ccccc2-n2cncn2)CC1 ZINC000650712623 398155870 /nfs/dbraw/zinc/15/58/70/398155870.db2.gz MDJZIPXKDOXIID-UHFFFAOYSA-N 2 0 271.368 1.486 10 0 CDAERP CCO[C@@H]1C[N@H+](Cc2ccccc2N(C)C)C[C@H]1C[NH3+] ZINC000650714782 398156479 /nfs/dbraw/zinc/15/64/79/398156479.db2.gz BOFJNAZOYIRPAB-GDBMZVCRSA-N 2 0 277.412 1.548 10 0 CDAERP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000650740858 398170964 /nfs/dbraw/zinc/17/09/64/398170964.db2.gz STZIJPBLVVKTCG-HRCADAONSA-N 3 0 267.461 1.942 10 0 CDAERP CC(C)C[N@H+](C)CCCN[C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000650739929 398171123 /nfs/dbraw/zinc/17/11/23/398171123.db2.gz BXVWZYGFDPQEFA-JKSUJKDBSA-N 2 0 283.460 1.321 10 0 CDAERP CN(CC[NH+](C)C)[C@@H](C[NH3+])c1ccc(Cl)s1 ZINC000082539706 178089149 /nfs/dbraw/zinc/08/91/49/178089149.db2.gz XPSWGOIDRNJMBK-VIFPVBQESA-N 2 0 261.822 1.895 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000092629662 342554807 /nfs/dbraw/zinc/55/48/07/342554807.db2.gz KCWUZGVFYVAFRH-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCCc3n[nH]cc32)CC1 ZINC000367625854 282099427 /nfs/dbraw/zinc/09/94/27/282099427.db2.gz ZEXJBDASIKIQAT-OAHLLOKOSA-N 2 0 291.443 1.403 10 0 CDAERP CC[NH+]1CCC([NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)CC1 ZINC000367125701 361767833 /nfs/dbraw/zinc/76/78/33/361767833.db2.gz HSGFNSZLGGPBLM-HOCLYGCPSA-N 2 0 296.455 1.628 10 0 CDAERP CCO[C@@H](C[N@H+](C)CCCN1CC[NH+](C)CC1)C1CC1 ZINC000625274226 342074136 /nfs/dbraw/zinc/07/41/36/342074136.db2.gz IBOWMABWOBHHRX-INIZCTEOSA-N 2 0 283.460 1.371 10 0 CDAERP [NH3+]CCN1CC[NH2+][C@@H](c2cncc3ccccc32)C1 ZINC000616601982 361819052 /nfs/dbraw/zinc/81/90/52/361819052.db2.gz JYLKCOICIIWNMF-OAHLLOKOSA-N 2 0 256.353 1.140 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CC[NH+](C(C)(C)C)C2)CC[N@@H+]1C ZINC000617001076 342601657 /nfs/dbraw/zinc/60/16/57/342601657.db2.gz IDILPNFMMJWBIO-KKUMJFAQSA-N 2 0 295.471 1.953 10 0 CDAERP [NH3+]CCN1CC[NH2+][C@@H](c2cc3ccccc3cn2)C1 ZINC000616654701 342124438 /nfs/dbraw/zinc/12/44/38/342124438.db2.gz NBWTXCXFHQNQSO-OAHLLOKOSA-N 2 0 256.353 1.140 10 0 CDAERP CN(CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)CC(F)F ZINC000624328503 342154585 /nfs/dbraw/zinc/15/45/85/342154585.db2.gz UWLYQBWMPHUJTF-JHJVBQTASA-N 2 0 275.387 1.646 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000592471019 342698319 /nfs/dbraw/zinc/69/83/19/342698319.db2.gz RVKXPUMKQNRTAA-CAEXGNQWSA-N 2 0 280.412 1.696 10 0 CDAERP c1ccc(C[NH+]2CCC([C@H]3COCC[NH2+]3)CC2)cc1 ZINC000096949583 185139274 /nfs/dbraw/zinc/13/92/74/185139274.db2.gz DDGVZDWRXGYFDC-MRXNPFEDSA-N 2 0 260.381 1.887 10 0 CDAERP COC(=O)c1ccc(C[NH2+]CCC2(C[NH3+])CC2)cc1 ZINC000593315595 342787877 /nfs/dbraw/zinc/78/78/77/342787877.db2.gz IRGUROIGEWIWIK-UHFFFAOYSA-N 2 0 262.353 1.692 10 0 CDAERP C[C@H](Cc1ccsc1)[NH2+]CC1([NH3+])CCOCC1 ZINC000629387815 361903813 /nfs/dbraw/zinc/90/38/13/361903813.db2.gz KPJIXYXKDQPDHH-LLVKDONJSA-N 2 0 254.399 1.777 10 0 CDAERP COc1nc2ccccc2cc1C[NH2+]CCOCCC[NH3+] ZINC000629397652 361929414 /nfs/dbraw/zinc/92/94/14/361929414.db2.gz AUUCGVSPABGZIW-UHFFFAOYSA-N 2 0 289.379 1.698 10 0 CDAERP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]CCOCCC[NH3+] ZINC000629398085 361930220 /nfs/dbraw/zinc/93/02/20/361930220.db2.gz LSNRWVZLRLIXEN-ZDUSSCGKSA-N 2 0 279.384 1.359 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1cc(F)ccc1F ZINC000234729693 536596957 /nfs/dbraw/zinc/59/69/57/536596957.db2.gz APZQMPGUBIXKKJ-GFCCVEGCSA-N 2 0 258.312 1.808 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000234716304 536595151 /nfs/dbraw/zinc/59/51/51/536595151.db2.gz XFBITVPKZQOHOW-OAHLLOKOSA-N 3 0 271.449 1.452 10 0 CDAERP C[NH2+]C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000237075884 290637500 /nfs/dbraw/zinc/63/75/00/290637500.db2.gz ISULSAKPWVWNCZ-OAHLLOKOSA-N 2 0 281.444 1.707 10 0 CDAERP C([C@H]1CC[NH2+]C1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062031682 412494542 /nfs/dbraw/zinc/49/45/42/412494542.db2.gz WQIBUZDXEJGGKB-HNNXBMFYSA-N 3 0 251.418 1.404 10 0 CDAERP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cn1 ZINC000158338505 342282614 /nfs/dbraw/zinc/28/26/14/342282614.db2.gz DPCFVNRSPPTUCG-MJBXVCDLSA-N 2 0 261.369 1.649 10 0 CDAERP CC[NH+]1CCC(C[NH2+][C@H](C)[C@@H]2C[C@@H]2C(=O)OC)CC1 ZINC000594918999 342986277 /nfs/dbraw/zinc/98/62/77/342986277.db2.gz FNGCHEWBUMRLIC-XBFCOCLRSA-N 2 0 268.401 1.506 10 0 CDAERP COc1ccc2ccccc2c1CNC[C@@H]1C[NH2+]C[C@H]1O ZINC000263157172 362107829 /nfs/dbraw/zinc/10/78/29/362107829.db2.gz DOZSEFFBQXETMN-CZUORRHYSA-N 2 0 286.375 1.518 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1c(C(F)(F)F)cnn1C ZINC000629512999 362122909 /nfs/dbraw/zinc/12/29/09/362122909.db2.gz JTELLIOAWDITBR-JGVFFNPUSA-N 2 0 264.295 1.654 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@]1(C)COc2ccccc2O1 ZINC000629515954 362125313 /nfs/dbraw/zinc/12/53/13/362125313.db2.gz WUDFNTZSYWRUBF-XJKSGUPXSA-N 2 0 294.395 1.560 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2Cc3ccccc3CO2)C1 ZINC000629514002 362128921 /nfs/dbraw/zinc/12/89/21/362128921.db2.gz NSHFLYKABXUNQV-PMPSAXMXSA-N 2 0 260.381 1.987 10 0 CDAERP CC(C)[NH2+]CCC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645104887 362118613 /nfs/dbraw/zinc/11/86/13/362118613.db2.gz TZLMWOCSZLRERO-KBPBESRZSA-N 2 0 267.417 1.365 10 0 CDAERP [NH3+][C@H]1C[C@@H](NCC2([NH3+])CCOCC2)c2ccccc21 ZINC000629519970 362139798 /nfs/dbraw/zinc/13/97/98/362139798.db2.gz JIZXXMQPMZHRPO-UONOGXRCSA-N 2 0 261.369 1.229 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)c1ccc(NC(C)=O)cc1 ZINC000629529617 362159031 /nfs/dbraw/zinc/15/90/31/362159031.db2.gz ISXRRMDMKWWEGZ-GFCCVEGCSA-N 2 0 279.384 1.532 10 0 CDAERP C(C[NH+]1CCC2(CC[NH2+]C2)CC1)OC1CCOCC1 ZINC000629532186 362163534 /nfs/dbraw/zinc/16/35/34/362163534.db2.gz PQFKCPYHGVVAKY-UHFFFAOYSA-N 2 0 268.401 1.258 10 0 CDAERP CSC1(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000597236845 343490920 /nfs/dbraw/zinc/49/09/20/343490920.db2.gz USPJOTJCEVFVMC-ZDUSSCGKSA-N 2 0 270.442 1.413 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000054308636 343800019 /nfs/dbraw/zinc/80/00/19/343800019.db2.gz BIHHPCBPKXRISB-HOCLYGCPSA-N 2 0 289.423 1.795 10 0 CDAERP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]CCN1CC[C@@H](O)C1 ZINC000599085444 343951325 /nfs/dbraw/zinc/95/13/25/343951325.db2.gz QXSYTYQYTPPWLK-CHWSQXEVSA-N 2 0 286.416 1.011 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCc3nc[nH]c3C2)C[N@@H+]1C1CC1 ZINC000612109164 347024179 /nfs/dbraw/zinc/02/41/79/347024179.db2.gz ZMWQSQZUUKPWRI-UTUOFQBUSA-N 2 0 288.395 1.256 10 0 CDAERP CCCN(C(=O)N[C@H]1CCC[NH+](C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000645201242 362350221 /nfs/dbraw/zinc/35/02/21/362350221.db2.gz ADIUVWOIKAWDIB-UONOGXRCSA-N 2 0 282.432 1.206 10 0 CDAERP C[NH+](C)CC[C@H](NC(=O)N[C@@H]1CCC[N@H+](C)C1)C(C)(C)C ZINC000604814842 344937220 /nfs/dbraw/zinc/93/72/20/344937220.db2.gz POMWZZOGFPTHDD-KGLIPLIRSA-N 2 0 298.475 1.746 10 0 CDAERP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)[C@@H]1CCCCO1 ZINC000623888047 345591383 /nfs/dbraw/zinc/59/13/83/345591383.db2.gz VOKZFVXCSNXZQK-WBVHZDCISA-N 2 0 297.487 1.807 10 0 CDAERP CC(C)C[C@H](CNC(=O)[C@]1(C)CCC[NH2+]1)[NH+](C)C ZINC000079519767 362661829 /nfs/dbraw/zinc/66/18/29/362661829.db2.gz ARANYZJJGLQRNK-OCCSQVGLSA-N 2 0 255.406 1.221 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@H]2Cc3cncn3C2)CCCCC1 ZINC000623261890 345871516 /nfs/dbraw/zinc/87/15/16/345871516.db2.gz GEUWOCOLHMQQFG-ZDUSSCGKSA-N 2 0 290.411 1.436 10 0 CDAERP C[C@@H]1CN(CCC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C[C@@H](C)O1 ZINC000623344986 346072353 /nfs/dbraw/zinc/07/23/53/346072353.db2.gz MDEVPKCUWWXTIT-BZUAXINKSA-N 2 0 297.487 1.948 10 0 CDAERP CC(C)[NH2+][C@](C)(CO)C[C@H](C)N1CC[C@H]([NH+](C)C)C1 ZINC000085213667 178978175 /nfs/dbraw/zinc/97/81/75/178978175.db2.gz PESURZVNQHSSBY-KKUMJFAQSA-N 2 0 271.449 1.150 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCNC(=O)c2cccs2)CC1(C)C ZINC000623361385 346089420 /nfs/dbraw/zinc/08/94/20/346089420.db2.gz ZOOOUVUNVNJCRL-LBPRGKRZSA-N 2 0 295.452 1.940 10 0 CDAERP COCCOCCCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623387773 346121513 /nfs/dbraw/zinc/12/15/13/346121513.db2.gz VBFBUSZQPWALCN-CQSZACIVSA-N 2 0 272.433 1.892 10 0 CDAERP CC(C)(C)[NH+]1CCN(CCCC[C@@](C)(O)C[NH3+])CC1 ZINC000085301347 179010067 /nfs/dbraw/zinc/01/00/67/179010067.db2.gz UGINVMBZENTMTJ-OAHLLOKOSA-N 2 0 271.449 1.283 10 0 CDAERP C[NH+](C)CC1CC[NH+](CCCC[C@](C)(O)C[NH3+])CC1 ZINC000085300921 179009919 /nfs/dbraw/zinc/00/99/19/179009919.db2.gz OKXLUHABIFWFQA-HNNXBMFYSA-N 3 0 271.449 1.140 10 0 CDAERP C[N@H+](CCCC[C@@](C)(O)C[NH3+])C[C@@H]1CCCCO1 ZINC000085300735 179010369 /nfs/dbraw/zinc/01/03/69/179010369.db2.gz ADHZJUKQZMACFW-UONOGXRCSA-N 2 0 258.406 1.367 10 0 CDAERP C[NH+](C)CCOc1cccc(NC(=O)[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000085362955 179034872 /nfs/dbraw/zinc/03/48/72/179034872.db2.gz WPFVNBNYKVYVDF-GJZGRUSLSA-N 2 0 291.395 1.693 10 0 CDAERP C[NH+](C)C[C@@H](NC(=O)[C@@H]1CCCC[C@@H]1[NH3+])c1ccccc1 ZINC000085370821 179040677 /nfs/dbraw/zinc/04/06/77/179040677.db2.gz XCMPYJLPWKGTKH-OWCLPIDISA-N 2 0 289.423 1.923 10 0 CDAERP CC[C@@H](C(N)=O)[N@@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403686 179053216 /nfs/dbraw/zinc/05/32/16/179053216.db2.gz VJKKJCDHNWRPQV-UONOGXRCSA-N 2 0 267.417 1.495 10 0 CDAERP CC(C)OC[C@H](O)C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000584586416 346374943 /nfs/dbraw/zinc/37/49/43/346374943.db2.gz XHHUHOHJGZGFEO-CQSZACIVSA-N 2 0 272.433 1.484 10 0 CDAERP CCCc1nc2c(n1C[C@H](C)[NH+](C)C)CC[NH2+]C2 ZINC000085573140 179097873 /nfs/dbraw/zinc/09/78/73/179097873.db2.gz YJAMBLBBEJEMTE-NSHDSACASA-N 2 0 250.390 1.431 10 0 CDAERP CC(C)c1nc2c(n1[C@H]1C[NH+]3CCC1CC3)CC[NH2+]C2 ZINC000085568735 179095199 /nfs/dbraw/zinc/09/51/99/179095199.db2.gz BUNBXVNWRILUIT-HNNXBMFYSA-N 2 0 274.412 1.919 10 0 CDAERP CC[N@@H+]1CC[C@@H](Cn2c3c(nc2C(C)C)C[NH2+]CC3)C1 ZINC000085570505 179095912 /nfs/dbraw/zinc/09/59/12/179095912.db2.gz NPYCDNJGQFCDQT-CYBMUJFWSA-N 2 0 276.428 1.994 10 0 CDAERP CC(C)c1nc2c(n1CCC[NH+](C)C)CC[NH2+]C2 ZINC000085569040 179096004 /nfs/dbraw/zinc/09/60/04/179096004.db2.gz GGBBBBLMHHBMSF-UHFFFAOYSA-N 2 0 250.390 1.604 10 0 CDAERP CC(C)c1nc2c(n1C[C@H](C)[NH+](C)C)CC[NH2+]C2 ZINC000085573143 179098785 /nfs/dbraw/zinc/09/87/85/179098785.db2.gz ROIOHSHNZFZJGB-NSHDSACASA-N 2 0 250.390 1.602 10 0 CDAERP C[NH+](C)[C@]1(CN[C@@H]2CC[N@H+](C)C(C)(C)C2)CCSC1 ZINC000623439829 346758377 /nfs/dbraw/zinc/75/83/77/346758377.db2.gz ZKUMJYIKGCIQLE-HIFRSBDPSA-N 2 0 285.501 1.886 10 0 CDAERP CC(C)[N@H+](C)C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC000635941224 362789802 /nfs/dbraw/zinc/78/98/02/362789802.db2.gz SXMYNXDWRFGJAC-AWEZNQCLSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H]1C[NH2+][C@H](Cc2ccccc2)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086171864 179243893 /nfs/dbraw/zinc/24/38/93/179243893.db2.gz VBUAKXIFDUKDKP-CGTJXYLNSA-N 2 0 287.451 1.843 10 0 CDAERP c1ccc([C@@H]2CN([C@@H]3CC[N@@H+](C4CC4)C3)CC[NH2+]2)cc1 ZINC000086146002 179238835 /nfs/dbraw/zinc/23/88/35/179238835.db2.gz MSXPMWQGSQIOAS-SJORKVTESA-N 2 0 271.408 1.870 10 0 CDAERP CC[C@H]1C[NH2+][C@@](C)(CC)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086223965 179253310 /nfs/dbraw/zinc/25/33/10/179253310.db2.gz FLRMFUXBCFLKAO-ZNMIVQPWSA-N 2 0 253.434 1.933 10 0 CDAERP C[C@H]1C[NH2+][C@](C)(C2CC2)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086259602 179258514 /nfs/dbraw/zinc/25/85/14/179258514.db2.gz BDPKXMXATXACGV-MAZHCROVSA-N 2 0 263.429 1.686 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C(N)=O)C2)CC1(C)C ZINC000623543528 347625329 /nfs/dbraw/zinc/62/53/29/347625329.db2.gz XULJMLBCIDEDCM-TUAOUCFPSA-N 2 0 253.390 1.103 10 0 CDAERP COC[C@@H](CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)OC ZINC000623563401 347634251 /nfs/dbraw/zinc/63/42/51/347634251.db2.gz XIRIJCYXHDXVQK-CHWSQXEVSA-N 2 0 258.406 1.500 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)NC[C@H]1CC[NH+]1C1CCCC1 ZINC000623573891 347640033 /nfs/dbraw/zinc/64/00/33/347640033.db2.gz ZMYTXFFSANAFDC-OAHLLOKOSA-N 2 0 296.459 1.643 10 0 CDAERP C[C@H](Cc1c[nH]cn1)C(=O)N1CC[C@@H](N2CCC2)[C@H](F)C1 ZINC000614102966 348001949 /nfs/dbraw/zinc/00/19/49/348001949.db2.gz JWKPPVJLHTYINZ-MRVWCRGKSA-N 2 0 294.374 1.233 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NCC23CCC[NH+]2CCC3)C1 ZINC000614224525 348044712 /nfs/dbraw/zinc/04/47/12/348044712.db2.gz VYWGTBLMXZIFDW-CYBMUJFWSA-N 2 0 265.401 1.073 10 0 CDAERP C[C@@H](O)CC[N@H+](C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000450776301 362904177 /nfs/dbraw/zinc/90/41/77/362904177.db2.gz HKCBLBVXIZYLLW-WBVHZDCISA-N 2 0 292.423 1.326 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC/C=C\C[NH3+])C1 ZINC000669539388 482622035 /nfs/dbraw/zinc/62/20/35/482622035.db2.gz HIMQPZZEFMZZPL-VQTKUKTRSA-N 2 0 282.432 1.169 10 0 CDAERP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]2[NH3+])(N2CCCCC2)CC1 ZINC000422796391 282695603 /nfs/dbraw/zinc/69/56/03/282695603.db2.gz YJWDYIFXTCGOEH-HZPDHXFCSA-N 3 0 294.487 1.406 10 0 CDAERP COc1ccc([C@H](C)[NH2+]CCOCCC[NH3+])cc1 ZINC000629541071 362965308 /nfs/dbraw/zinc/96/53/08/362965308.db2.gz QLDJCZZHOJVZFR-LBPRGKRZSA-N 2 0 252.358 1.711 10 0 CDAERP Cc1c([C@H](C)[NH2+]CCOCCC[NH3+])cnn1C(C)C ZINC000629540455 362962512 /nfs/dbraw/zinc/96/25/12/362962512.db2.gz UOUKGQXVKRPHBJ-LBPRGKRZSA-N 2 0 268.405 1.788 10 0 CDAERP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629542401 362966596 /nfs/dbraw/zinc/96/65/96/362966596.db2.gz YXHOQZCHCQDBRB-VRKREXBASA-N 2 0 261.413 1.675 10 0 CDAERP C(c1nc(C2CC2)no1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000312022534 350738275 /nfs/dbraw/zinc/73/82/75/350738275.db2.gz LKGHNXTZQLQCIH-TXEJJXNPSA-N 2 0 262.357 1.378 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CCCC12CC2 ZINC000629555271 362989266 /nfs/dbraw/zinc/98/92/66/362989266.db2.gz STRQHNWELUOOKS-RFQIPJPRSA-N 2 0 252.402 1.909 10 0 CDAERP CO[C@H]1C[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000623808796 351284132 /nfs/dbraw/zinc/28/41/32/351284132.db2.gz DBAHIQIDWRJITC-YEORSEQZSA-N 2 0 258.325 1.534 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000629568091 363019229 /nfs/dbraw/zinc/01/92/29/363019229.db2.gz ITBIOBNXIBUCHP-UHFFFAOYSA-N 2 0 288.395 1.540 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)CCC(=O)Nc1ccc(F)cc1 ZINC000629568914 363021268 /nfs/dbraw/zinc/02/12/68/363021268.db2.gz MNIRPTYMVGPVMV-UHFFFAOYSA-N 2 0 297.374 1.322 10 0 CDAERP C[C@@H](NC(=O)N[C@H]1CCCC[NH2+]C1)C1=CC[N@H+](C)CC1 ZINC000333551874 363026995 /nfs/dbraw/zinc/02/69/95/363026995.db2.gz KHOHSQMDJPSXOX-OCCSQVGLSA-N 2 0 280.416 1.078 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1cccc2c1OCCO2 ZINC000629572058 363027373 /nfs/dbraw/zinc/02/73/73/363027373.db2.gz VBVHJSKDSJCRSA-UHFFFAOYSA-N 2 0 280.368 1.126 10 0 CDAERP COC[C@]1(C)C[N@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000629594346 363114607 /nfs/dbraw/zinc/11/46/07/363114607.db2.gz AKVBFVQWLHSHCC-KGLIPLIRSA-N 2 0 256.390 1.113 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000659326088 412566866 /nfs/dbraw/zinc/56/68/66/412566866.db2.gz QCZYPLRGQNOEES-PJODQICGSA-N 2 0 287.407 1.627 10 0 CDAERP CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)[NH3+])c1ccco1 ZINC000157248556 188306354 /nfs/dbraw/zinc/30/63/54/188306354.db2.gz CVDPEEAPZGTVRT-GHMZBOCLSA-N 2 0 253.346 1.126 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000414748555 366101277 /nfs/dbraw/zinc/10/12/77/366101277.db2.gz WSUKWTMSNILPIG-GJZGRUSLSA-N 2 0 283.460 1.545 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NCc1nc2c(s1)C[NH2+]CC2 ZINC000629654500 363258236 /nfs/dbraw/zinc/25/82/36/363258236.db2.gz RMPUUSPERIXWNB-VHSXEESVSA-N 2 0 266.414 1.019 10 0 CDAERP CCN(C)c1ccc(C[N@H+](C)CCOCC[NH2+]C)cn1 ZINC000629653724 363254146 /nfs/dbraw/zinc/25/41/46/363254146.db2.gz MKIFMSKSIANVCM-UHFFFAOYSA-N 2 0 280.416 1.206 10 0 CDAERP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCCC3(CC3)CC2)C1 ZINC000629661623 363316367 /nfs/dbraw/zinc/31/63/67/363316367.db2.gz BRUAPGKOLREBKV-CQSZACIVSA-N 2 0 279.428 1.450 10 0 CDAERP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)COCC(C)C)CC1 ZINC000644533235 366162046 /nfs/dbraw/zinc/16/20/46/366162046.db2.gz IGSLSYUCPHIGOE-MRXNPFEDSA-N 2 0 286.460 1.732 10 0 CDAERP C[C@@H](CNC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C)[NH+](C)C ZINC000454473942 363377812 /nfs/dbraw/zinc/37/78/12/363377812.db2.gz CWWBGWHDGITDOF-IHRRRGAJSA-N 2 0 284.448 1.499 10 0 CDAERP CCC[NH2+][C@@H](C)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000566259218 370662757 /nfs/dbraw/zinc/66/27/57/370662757.db2.gz RDKDXSMTDNKPRQ-WFASDCNBSA-N 2 0 275.396 1.459 10 0 CDAERP C[N@@H+]1CC[C@H](NC[C@]2(C)CCC[NH2+]C2)[C@@H]2CCC[C@@H]21 ZINC000423348732 283138683 /nfs/dbraw/zinc/13/86/83/283138683.db2.gz UNYBYGUWYDEMDC-YHUYYLMFSA-N 2 0 265.445 1.839 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC000427863901 535301101 /nfs/dbraw/zinc/30/11/01/535301101.db2.gz CIXORJALFXHTNU-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP CCOC(=O)[C@@H]1CCC[N@@H+](C2CCC3(C[C@@H]3[NH3+])CC2)C1 ZINC000725271252 538461601 /nfs/dbraw/zinc/46/16/01/538461601.db2.gz ZPGSMGCLAFJFMU-RXFTYZNJSA-N 2 0 280.412 1.922 10 0 CDAERP [NH3+][C@@H]1CC[C@@H](C(=O)NCCC[NH+]2CCCCCC2)C1 ZINC000163608545 356938563 /nfs/dbraw/zinc/93/85/63/356938563.db2.gz QEICBNBJPQFFTB-ZIAGYGMSSA-N 2 0 267.417 1.496 10 0 CDAERP CN1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CCC1=O ZINC000353526126 283245861 /nfs/dbraw/zinc/24/58/61/283245861.db2.gz ICVSKMWZRLGHKI-SYQHCUMBSA-N 2 0 265.401 1.070 10 0 CDAERP CCN(CC)[C@@H](CNC1=[NH+]CCN1)c1cccc(OC)c1 ZINC000058405022 357400947 /nfs/dbraw/zinc/40/09/47/357400947.db2.gz WTHGWRSYZKRBIR-HNNXBMFYSA-N 2 0 290.411 1.627 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000634771963 358533571 /nfs/dbraw/zinc/53/35/71/358533571.db2.gz PQNKYFQMCMOHMP-XEZPLFJOSA-N 2 0 279.428 1.365 10 0 CDAERP CSc1nccnc1C[N@H+](C)CC1CC[NH2+]CC1 ZINC000095071899 358672751 /nfs/dbraw/zinc/67/27/51/358672751.db2.gz YVSFKQSVUQKHJA-UHFFFAOYSA-N 2 0 266.414 1.630 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1COc2ccc(C)cc21 ZINC000516562363 366491242 /nfs/dbraw/zinc/49/12/42/366491242.db2.gz RFFLUJWQEJXDQH-TZMCWYRMSA-N 2 0 264.369 1.772 10 0 CDAERP CC(C)[C@@H](C(=O)NCC[N@H+](C)C1CCCCC1)[NH+](C)C ZINC000119878146 359315045 /nfs/dbraw/zinc/31/50/45/359315045.db2.gz MNPULKBOWDNGHP-HNNXBMFYSA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC000347535665 359426980 /nfs/dbraw/zinc/42/69/80/359426980.db2.gz YCBYKFALFDOAKR-CYBMUJFWSA-N 2 0 269.433 1.565 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000347494265 359396362 /nfs/dbraw/zinc/39/63/62/359396362.db2.gz NJTSHKQNCMAXTE-MRXNPFEDSA-N 2 0 293.455 1.851 10 0 CDAERP CN(CCC(=O)N(C)C1CC[NH+](C)CC1)c1cc[nH+]cc1 ZINC000540928740 359545862 /nfs/dbraw/zinc/54/58/62/359545862.db2.gz UEWOXUDIWYFRCB-UHFFFAOYSA-N 2 0 290.411 1.461 10 0 CDAERP C[C@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCCCCC1 ZINC000237390478 359662234 /nfs/dbraw/zinc/66/22/34/359662234.db2.gz KYMYUTJCOFENQS-JZWPEALZSA-N 2 0 293.455 1.992 10 0 CDAERP CO[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]C2)C12CCC2 ZINC000423169725 359755402 /nfs/dbraw/zinc/75/54/02/359755402.db2.gz KIDVBNNCMHZROG-ZOBORPQBSA-N 2 0 252.402 1.922 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](CO)c1ccccc1 ZINC000423004303 359734803 /nfs/dbraw/zinc/73/48/03/359734803.db2.gz JPXQSOZJVNMLIV-LSDHHAIUSA-N 2 0 266.385 1.106 10 0 CDAERP C[C@@H](CCC[NH3+])[NH2+][C@H](c1cnn[nH]1)c1ccc(F)cc1 ZINC000423464961 359802238 /nfs/dbraw/zinc/80/22/38/359802238.db2.gz WDZWCZVAZULRQW-HZMBPMFUSA-N 2 0 277.347 1.750 10 0 CDAERP CCCC[C@H](C[NH3+])NC(=O)C12CCC[NH+](CCC1)C2 ZINC000637866747 366644217 /nfs/dbraw/zinc/64/42/17/366644217.db2.gz PNWBVVLDPMMZFI-CYBMUJFWSA-N 2 0 267.417 1.496 10 0 CDAERP COC(=O)CC1CC([NH2+]C2CC([NH+]3CCCCC3)C2)C1 ZINC000424350382 360016933 /nfs/dbraw/zinc/01/69/33/360016933.db2.gz OIEXCZHACXUSHU-UHFFFAOYSA-N 2 0 280.412 1.935 10 0 CDAERP C[NH+](C)CCn1cccc1[C@@H]([NH3+])c1cccc(O)c1 ZINC000011848785 360347535 /nfs/dbraw/zinc/34/75/35/360347535.db2.gz PTPBYQJNJWMWQA-HNNXBMFYSA-N 2 0 259.353 1.803 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000636200601 363734195 /nfs/dbraw/zinc/73/41/95/363734195.db2.gz GGHAHZZVIJTIBW-HUUCEWRRSA-N 2 0 293.455 1.851 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000626928379 360646328 /nfs/dbraw/zinc/64/63/28/360646328.db2.gz AUYHLVXYDUWSJO-UONOGXRCSA-N 2 0 280.416 1.053 10 0 CDAERP C[C@H]1CC[C@@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)C[NH2+]1 ZINC000626921888 360629568 /nfs/dbraw/zinc/62/95/68/360629568.db2.gz QGSMOXKNRLKVHG-UONOGXRCSA-N 2 0 296.459 1.691 10 0 CDAERP C[C@H]1CCC[C@@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000335640833 360683629 /nfs/dbraw/zinc/68/36/29/360683629.db2.gz ATVCRQJNWKNTRF-LBDPXKHJSA-N 2 0 265.445 1.981 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000626952041 360696752 /nfs/dbraw/zinc/69/67/52/360696752.db2.gz MYVFZTMBAGRPGO-FRRDWIJNSA-N 2 0 270.421 1.156 10 0 CDAERP CC(C)[C@@H]1C[C@H](C[NH2+]C[C@@H](O)CN(C)C2CC2)CCO1 ZINC000564723187 360775965 /nfs/dbraw/zinc/77/59/65/360775965.db2.gz HSCNCZRRYOCGSP-BMFZPTHFSA-N 2 0 284.444 1.482 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCCC[NH+](C)C2)C1 ZINC000628755061 361017013 /nfs/dbraw/zinc/01/70/13/361017013.db2.gz SVGJAPJFJYHGHU-UONOGXRCSA-N 2 0 267.417 1.176 10 0 CDAERP CC(C)[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C[C@@H](C)O ZINC000304118643 370679999 /nfs/dbraw/zinc/67/99/99/370679999.db2.gz PMZVRWARYBYFRU-CQSZACIVSA-N 2 0 299.459 1.067 10 0 CDAERP C[C@@H]1CN(C(=O)Cn2ccnc2)CCN1Cc1ccccc1 ZINC000519588950 361359843 /nfs/dbraw/zinc/35/98/43/361359843.db2.gz PDLQGHBDBMZMEY-OAHLLOKOSA-N 2 0 298.390 1.616 10 0 CDAERP C[NH2+]C[C@@H](C)CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000417941755 361431341 /nfs/dbraw/zinc/43/13/41/361431341.db2.gz SHFXDJKLYNQALD-IYXRBSQSSA-N 2 0 284.448 1.262 10 0 CDAERP C[C@H](CC[NH3+])NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000417952668 361640934 /nfs/dbraw/zinc/64/09/34/361640934.db2.gz YIXJJBOXMLFDLQ-VHDGCEQUSA-N 2 0 290.411 1.468 10 0 CDAERP Cc1nccc(CN2CC[C@@H](C[NH+]3CCCC3)C2)n1 ZINC000366481715 361732002 /nfs/dbraw/zinc/73/20/02/361732002.db2.gz SPOUTJKFLREOKI-AWEZNQCLSA-N 2 0 260.385 1.703 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)[C@](C)([NH3+])c2ccccc2)C1 ZINC000052882606 363985173 /nfs/dbraw/zinc/98/51/73/363985173.db2.gz DFPKXMBGCPQNCQ-GDBMZVCRSA-N 2 0 275.396 1.461 10 0 CDAERP [NH3+]CC1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000019843255 364084038 /nfs/dbraw/zinc/08/40/38/364084038.db2.gz PTXUAQUPLFWDSE-UHFFFAOYSA-N 2 0 253.390 1.106 10 0 CDAERP CC[N@@H+]1C[C@H](C)N(C(=O)C[NH+]2CC[C@@H](C)C2)C[C@@H]1C ZINC000566446632 370729015 /nfs/dbraw/zinc/72/90/15/370729015.db2.gz NDVQCTHFDHNNLS-RDBSUJKOSA-N 2 0 267.417 1.269 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)CC[C@H](C)[NH3+])C1 ZINC000248869831 364324210 /nfs/dbraw/zinc/32/42/10/364324210.db2.gz OGNZIBBQKODXNW-QWHCGFSZSA-N 2 0 255.406 1.208 10 0 CDAERP CCN(CCO)CC[NH2+]C[C@@H]1CC(C)=C[C@H](C)C1 ZINC000352909124 364632193 /nfs/dbraw/zinc/63/21/93/364632193.db2.gz YGNAUQGYDFFXCB-ZFWWWQNUSA-N 2 0 254.418 1.883 10 0 CDAERP C([C@H]1CCOC1)[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001620577511 1172327509 /nfs/dbraw/zinc/32/75/09/1172327509.db2.gz LRMQTHMKUPAFPG-CYBMUJFWSA-N 2 0 268.401 1.256 10 0 CDAERP CC[C@H](Cn1cncn1)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000353413475 365190817 /nfs/dbraw/zinc/19/08/17/365190817.db2.gz PSBTXJQQBBDOLK-HZSPNIEDSA-N 2 0 263.389 1.273 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)CS1 ZINC000397798509 366887542 /nfs/dbraw/zinc/88/75/42/366887542.db2.gz UUGMAYQQZQRPBA-JHJVBQTASA-N 2 0 258.431 1.317 10 0 CDAERP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000414831619 367081573 /nfs/dbraw/zinc/08/15/73/367081573.db2.gz CTHFANWULNFCNY-JTQLQIEISA-N 2 0 279.409 1.545 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000626988326 367177420 /nfs/dbraw/zinc/17/74/20/367177420.db2.gz WIHARHOFSRXABV-GXTWGEPZSA-N 2 0 282.432 1.158 10 0 CDAERP C[C@H]1CC[C@H](NC(=O)NCCCC[N@H+](C)C2CC2)C[NH2+]1 ZINC000627057872 367313128 /nfs/dbraw/zinc/31/31/28/367313128.db2.gz MINUMDDPBOKZEF-STQMWFEESA-N 2 0 282.432 1.301 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)N[C@@H](C[NH3+])C2CCCCC2)C[NH2+]1 ZINC000627076683 367365467 /nfs/dbraw/zinc/36/54/67/367365467.db2.gz YEIQIRXYHGIHPG-BNOWGMLFSA-N 2 0 282.432 1.334 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)NCc2ccc(C[NH3+])cc2)C[NH2+]1 ZINC000627108674 367455575 /nfs/dbraw/zinc/45/55/75/367455575.db2.gz LVUCTPGGKPLCNA-RISCZKNCSA-N 2 0 276.384 1.085 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627109551 367458178 /nfs/dbraw/zinc/45/81/78/367458178.db2.gz WZZYERCSWHTDRZ-AWEZNQCLSA-N 2 0 296.459 1.548 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000627168249 367603280 /nfs/dbraw/zinc/60/32/80/367603280.db2.gz QYWBFCNTJMERSQ-SOUVJXGZSA-N 2 0 294.443 1.397 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[N@H+](CC)C[C@H]1CC ZINC000627158703 367587572 /nfs/dbraw/zinc/58/75/72/367587572.db2.gz BVZLBCWARMVESI-HZSPNIEDSA-N 2 0 282.432 1.253 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000417008664 242265457 /nfs/dbraw/zinc/26/54/57/242265457.db2.gz IYNKNAFQKDHANN-AEGPPILISA-N 2 0 296.459 1.628 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000417389109 242450591 /nfs/dbraw/zinc/45/05/91/242450591.db2.gz JRWTXLQPDJRMQU-HIFRSBDPSA-N 2 0 296.459 1.487 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[NH2+]1 ZINC000627208858 367706194 /nfs/dbraw/zinc/70/61/94/367706194.db2.gz ZPQUFWYNWAMZRG-JABUTEAWSA-N 2 0 280.416 1.051 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627197274 367686727 /nfs/dbraw/zinc/68/67/27/367686727.db2.gz ZUNIYKTVTLTHIB-KGLIPLIRSA-N 2 0 284.448 1.356 10 0 CDAERP CCC(C)(C)[NH+]1CCN(C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627210464 367711082 /nfs/dbraw/zinc/71/10/82/367711082.db2.gz QIFHGAQXBRZIMT-UONOGXRCSA-N 2 0 296.459 1.643 10 0 CDAERP C[N@H+](CCCNC(=O)C1=CC[C@H]([NH3+])C1)Cc1ccccc1 ZINC000638052989 367851686 /nfs/dbraw/zinc/85/16/86/367851686.db2.gz CZOJNINIZVGWFB-INIZCTEOSA-N 2 0 287.407 1.672 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC[N@@H+]1C ZINC000418412909 243046868 /nfs/dbraw/zinc/04/68/68/243046868.db2.gz QHUFVKAFDYMZKR-LXTVHRRPSA-N 2 0 296.459 1.628 10 0 CDAERP CC(C)[C@H]([NH3+])CNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000418415052 243048692 /nfs/dbraw/zinc/04/86/92/243048692.db2.gz UCVINZMEGMLGLH-BXUZGUMPSA-N 2 0 278.400 1.489 10 0 CDAERP CCC([NH3+])(CC)CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000418433004 243071083 /nfs/dbraw/zinc/07/10/83/243071083.db2.gz BKKJAVXQYQOVLC-ZDUSSCGKSA-N 2 0 280.416 1.160 10 0 CDAERP CC[C@@H]1C[N@H+](CC)CCN1C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000418570637 243223653 /nfs/dbraw/zinc/22/36/53/243223653.db2.gz IXILLHCQCUUSCV-MJBXVCDLSA-N 2 0 282.432 1.110 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000418679931 243333672 /nfs/dbraw/zinc/33/36/72/243333672.db2.gz ABSUHVWEMGYAEJ-NEPJUHHUSA-N 2 0 298.456 1.557 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170830905 369512121 /nfs/dbraw/zinc/51/21/21/369512121.db2.gz DJGUYNJYVWPNGV-UONOGXRCSA-N 2 0 284.448 1.308 10 0 CDAERP CN(CC(=O)N(C)CC1CC1)C[C@H]1CCC[N@H+](C)C1 ZINC000118842170 369905062 /nfs/dbraw/zinc/90/50/62/369905062.db2.gz WUOCNUKGHOCAEC-AWEZNQCLSA-N 2 0 267.417 1.128 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353526953 369970437 /nfs/dbraw/zinc/97/04/37/369970437.db2.gz BVRXQXALOFZEBI-YYIAUSFCSA-N 3 0 297.487 1.806 10 0 CDAERP CO[C@@H](C)[C@@H](C)[NH2+]Cc1cccnc1-n1ccnc1 ZINC000370669996 370121998 /nfs/dbraw/zinc/12/19/98/370121998.db2.gz UOCKFCOYMNYENW-NEPJUHHUSA-N 2 0 260.341 1.780 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](CC(C)C)C[NH+](C)C)C1 ZINC000249761213 370183422 /nfs/dbraw/zinc/18/34/22/370183422.db2.gz LOLSEQXHLXIWBO-LSDHHAIUSA-N 2 0 298.475 1.746 10 0 CDAERP Nc1cc(CN2CCc3ccccc3[C@H]2C[NH3+])ccn1 ZINC000564988880 370318832 /nfs/dbraw/zinc/31/88/32/370318832.db2.gz PJAVIQCUVPCIID-OAHLLOKOSA-N 2 0 268.364 1.552 10 0 CDAERP CCCC[C@H](C[NH3+])NC(=O)c1ccccc1CC[NH3+] ZINC000564806812 370264701 /nfs/dbraw/zinc/26/47/01/370264701.db2.gz DAKYPBPASWAPKW-CYBMUJFWSA-N 2 0 263.385 1.435 10 0 CDAERP COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420375321 284206487 /nfs/dbraw/zinc/20/64/87/284206487.db2.gz PDUBINNMAOKOFE-DGAVXFQQSA-N 2 0 266.385 1.260 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)Nc2cnn(CC[NH+](C)C)c2)CC[N@@H+]1C ZINC000630873359 370526422 /nfs/dbraw/zinc/52/64/22/370526422.db2.gz GYAUIZGBIONYNZ-UONOGXRCSA-N 2 0 293.415 1.114 10 0 CDAERP C[C@H]1C[NH2+]CC[C@@H]1NCc1cnn(C(C)(C)C)c1 ZINC000414959127 371072549 /nfs/dbraw/zinc/07/25/49/371072549.db2.gz PRFSWFLWKVRMRG-AAEUAGOBSA-N 2 0 250.390 1.726 10 0 CDAERP CCC[NH+]1CCC(N[C@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000422793782 245264433 /nfs/dbraw/zinc/26/44/33/245264433.db2.gz YHJFEDPZZGLZAT-HZPDHXFCSA-N 2 0 281.444 1.217 10 0 CDAERP C[C@H]([NH2+]CCn1cncn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272533605 371111917 /nfs/dbraw/zinc/11/19/17/371111917.db2.gz RBGJHMQYTKIJEH-DOTOQJQBSA-N 2 0 299.422 1.778 10 0 CDAERP CC(C)(C)N1CC[C@H]([N@@H+]2CCC[C@H](c3ncc[nH]3)C2)C1=O ZINC000569233111 371244557 /nfs/dbraw/zinc/24/45/57/371244557.db2.gz OTHOVQOWFOYBMF-STQMWFEESA-N 2 0 290.411 1.989 10 0 CDAERP CC[NH+](CC)CC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000378224037 371880707 /nfs/dbraw/zinc/88/07/07/371880707.db2.gz IDCVHZPZLXQAPW-CQSZACIVSA-N 2 0 267.417 1.319 10 0 CDAERP CC[N@@H+]1CC[C@H](N[C@H]2C[NH2+]CCC2(F)F)[C@@H](C)C1 ZINC000415009487 372480863 /nfs/dbraw/zinc/48/08/63/372480863.db2.gz XJIZPESRWGXRMJ-SRVKXCTJSA-N 2 0 261.360 1.304 10 0 CDAERP COC(=O)[C@H]1CCC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414695447 284331262 /nfs/dbraw/zinc/33/12/62/284331262.db2.gz URUBXGBCPLBGDE-UPJWGTAASA-N 2 0 254.374 1.260 10 0 CDAERP c1[nH]nc2c1[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000367620747 372649779 /nfs/dbraw/zinc/64/97/79/372649779.db2.gz RFIBFCZWLJKCBB-FZMZJTMJSA-N 2 0 260.385 1.861 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N(C)[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000581199663 372875909 /nfs/dbraw/zinc/87/59/09/372875909.db2.gz KJTSCGQTFHCZAD-GXTWGEPZSA-N 2 0 265.401 1.023 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000581286874 372910453 /nfs/dbraw/zinc/91/04/53/372910453.db2.gz FIMYVEGPVPYIFL-CYBMUJFWSA-N 2 0 253.390 1.023 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000581286875 372910639 /nfs/dbraw/zinc/91/06/39/372910639.db2.gz FIMYVEGPVPYIFL-ZDUSSCGKSA-N 2 0 253.390 1.023 10 0 CDAERP CC[N@H+](C)[C@H](C(=O)N[C@H]1C[NH2+]CC[C@H]1C)c1ccccc1 ZINC000250093594 284371215 /nfs/dbraw/zinc/37/12/15/284371215.db2.gz QKNZRRMZJQAFLS-KBMXLJTQSA-N 2 0 289.423 1.794 10 0 CDAERP CSCC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182583796 373023855 /nfs/dbraw/zinc/02/38/55/373023855.db2.gz TWKRDAUBFKOHJQ-YIONKMFJSA-N 2 0 283.485 1.592 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC[NH+]1C ZINC000341208370 373407595 /nfs/dbraw/zinc/40/75/95/373407595.db2.gz UPOGWRJBQBGLRU-TUVASFSCSA-N 2 0 296.459 1.593 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC000341404431 373646405 /nfs/dbraw/zinc/64/64/05/373646405.db2.gz NKDKOLPOQPQRQA-OWCLPIDISA-N 2 0 296.455 1.628 10 0 CDAERP C[C@@H]1CCC[N@H+](C[C@H]2CCc3ncnn32)[C@@H]1CCC[NH3+] ZINC000631829664 373722032 /nfs/dbraw/zinc/72/20/32/373722032.db2.gz XBANMRLVPGCSMI-MGPQQGTHSA-N 2 0 277.416 1.605 10 0 CDAERP CC(C)OCC[C@H](O)C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000584406032 373723109 /nfs/dbraw/zinc/72/31/09/373723109.db2.gz OQLLQVSSBYYPSP-HNNXBMFYSA-N 2 0 277.368 1.600 10 0 CDAERP CC[NH+]1CCC([NH2+]CC(O)(C2CC2)C2CC2)CC1 ZINC000668619860 541898547 /nfs/dbraw/zinc/89/85/47/541898547.db2.gz SHWFRYVEUYVWAJ-UHFFFAOYSA-N 2 0 252.402 1.611 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251378633 483041103 /nfs/dbraw/zinc/04/11/03/483041103.db2.gz YTZXAWFSMOHFAO-RWMBFGLXSA-N 2 0 253.390 1.103 10 0 CDAERP C(CC1CC[NH2+]CC1)CN1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631889589 374616844 /nfs/dbraw/zinc/61/68/44/374616844.db2.gz HXXBFOMPNSPQTO-JKSUJKDBSA-N 2 0 265.445 1.840 10 0 CDAERP [NH3+][C@@H]1CCN(C(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000334411721 375312440 /nfs/dbraw/zinc/31/24/40/375312440.db2.gz LHZXIJBSNLLXJF-OAHLLOKOSA-N 2 0 287.407 1.402 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[NH+]2CCC1CC2 ZINC000334420280 375344216 /nfs/dbraw/zinc/34/42/16/375344216.db2.gz SVLOKJZSSSFSFF-CQSZACIVSA-N 2 0 294.443 1.350 10 0 CDAERP C[NH2+]Cc1cccc(NC(=O)NCCNc2cc[nH+]cc2)c1 ZINC000415919220 375480450 /nfs/dbraw/zinc/48/04/50/375480450.db2.gz MQPLFCVXYUVKSH-UHFFFAOYSA-N 2 0 299.378 1.457 10 0 CDAERP C[NH2+]Cc1ccc(NC(=O)NCCNc2cc[nH+]cc2)cc1 ZINC000415972100 375505992 /nfs/dbraw/zinc/50/59/92/375505992.db2.gz LTFWNOYBHQCHMO-UHFFFAOYSA-N 2 0 299.378 1.457 10 0 CDAERP CC/C=C\CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](C)C ZINC001662067016 1172480801 /nfs/dbraw/zinc/48/08/01/1172480801.db2.gz VOYWYBDAFHQJMV-QUMYRZNOSA-N 2 0 293.455 1.729 10 0 CDAERP C[C@@H]1C[C@H](N2C[C@@H]([NH3+])C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000306602310 375776744 /nfs/dbraw/zinc/77/67/44/375776744.db2.gz VVODOQIEHXILQS-BPLDGKMQSA-N 2 0 273.380 1.209 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@H]2CC[NH2+][C@H]2C)CC1 ZINC000638975230 376326695 /nfs/dbraw/zinc/32/66/95/376326695.db2.gz HGNMEGOLAYTUIV-STQMWFEESA-N 2 0 267.417 1.317 10 0 CDAERP CC(C)Cc1ncc(C[NH2+]CC2(O)CC[NH+](C)CC2)s1 ZINC000344594207 376634017 /nfs/dbraw/zinc/63/40/17/376634017.db2.gz RBHCLSORDVICNA-UHFFFAOYSA-N 2 0 297.468 1.888 10 0 CDAERP CC[NH+](CC)CCCN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248971748 377370564 /nfs/dbraw/zinc/37/05/64/377370564.db2.gz DJCMFLVOIJUVDU-HNNXBMFYSA-N 2 0 253.434 1.888 10 0 CDAERP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+](CC)C2)C12CCOCC2 ZINC000249047114 377383773 /nfs/dbraw/zinc/38/37/73/377383773.db2.gz WCEGPVPROJNFNU-BZUAXINKSA-N 2 0 296.455 1.892 10 0 CDAERP O=C1C(C[NH2+]CCN2CCCC2)=CC2=CC=C[C@H]3CCN1[C@@H]23 ZINC000039287517 377426743 /nfs/dbraw/zinc/42/67/43/377426743.db2.gz OKEFDLLYRVTRRX-WMLDXEAASA-N 2 0 299.418 1.325 10 0 CDAERP C[C@H]([NH3+])[C@H]1CCN(C(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000334937102 377708133 /nfs/dbraw/zinc/70/81/33/377708133.db2.gz UEMJEOBHXYEELT-STQMWFEESA-N 2 0 282.432 1.417 10 0 CDAERP CCC[C@@H](C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1)[NH+](C)C ZINC000161804195 377769843 /nfs/dbraw/zinc/76/98/43/377769843.db2.gz FJUCNOYSDAGSNO-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)CC[N@@H+]1C ZINC000633032438 378057907 /nfs/dbraw/zinc/05/79/07/378057907.db2.gz JSPNUSYQZLOIQJ-XUWVNRHRSA-N 2 0 293.455 1.802 10 0 CDAERP C[NH+](C)CCC[C@@H]1C[N@H+](CC2CC=CC2)CCO1 ZINC000662325333 412897020 /nfs/dbraw/zinc/89/70/20/412897020.db2.gz DYMAPXUGJSKULP-OAHLLOKOSA-N 2 0 252.402 1.995 10 0 CDAERP CC(C)n1ccnc1C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000657574001 412906589 /nfs/dbraw/zinc/90/65/89/412906589.db2.gz WCBKWZFQVGXXNN-HNNXBMFYSA-N 2 0 295.475 1.826 10 0 CDAERP CC(C)[C@H]1CN(C(=O)CC[C@@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000634300956 379360487 /nfs/dbraw/zinc/36/04/87/379360487.db2.gz REIOJTUVDBCJKM-ZIAGYGMSSA-N 2 0 267.417 1.175 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261886288 296311834 /nfs/dbraw/zinc/31/18/34/296311834.db2.gz ZTGBIOUOGUZDLI-HZSPNIEDSA-N 2 0 267.417 1.495 10 0 CDAERP C[NH+](C)CCCC(C)(C)NC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655930639 412937807 /nfs/dbraw/zinc/93/78/07/412937807.db2.gz BEPMOOGYNGXRGW-SECBINFHSA-N 2 0 298.353 1.296 10 0 CDAERP CC1(C)CC[NH2+][C@H]1C(=O)NCC1([NH3+])CCCCCC1 ZINC000662398410 412959991 /nfs/dbraw/zinc/95/99/91/412959991.db2.gz RHZHOGKNAYNBJW-LBPRGKRZSA-N 2 0 267.417 1.542 10 0 CDAERP C[NH2+]Cc1cn(CC[NH+]2CCc3ccccc3CC2)nn1 ZINC000079592370 184595204 /nfs/dbraw/zinc/59/52/04/184595204.db2.gz WPNPQBHEZQHACP-UHFFFAOYSA-N 2 0 285.395 1.098 10 0 CDAERP C[C@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC1CC1 ZINC001662974361 1172622684 /nfs/dbraw/zinc/62/26/84/1172622684.db2.gz GBDBBDXNIZWWGW-CHWSQXEVSA-N 2 0 267.417 1.223 10 0 CDAERP C[NH2+]CC1CCN(C(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000662413406 412983056 /nfs/dbraw/zinc/98/30/56/412983056.db2.gz GVKKHTQMYXXMHK-UHFFFAOYSA-N 2 0 265.401 1.119 10 0 CDAERP CC(C)([NH3+])c1cc(C(=O)N[C@@H](C[NH3+])C2CCCCC2)on1 ZINC000662417330 412991699 /nfs/dbraw/zinc/99/16/99/412991699.db2.gz KCBSTWLXCJZFCN-NSHDSACASA-N 2 0 294.399 1.506 10 0 CDAERP COCC[C@H](COC)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000353641131 285167990 /nfs/dbraw/zinc/16/79/90/285167990.db2.gz IHEZSMSOUMRCCY-CQSZACIVSA-N 2 0 272.433 1.890 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000417590752 285197121 /nfs/dbraw/zinc/19/71/21/285197121.db2.gz WKYVCHDJAJMMQG-ZNMIVQPWSA-N 2 0 294.443 1.254 10 0 CDAERP CCS(=O)(=O)C1(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000657758340 413014290 /nfs/dbraw/zinc/01/42/90/413014290.db2.gz HFBIDACRJDVCJB-STQMWFEESA-N 2 0 286.441 1.170 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000654063358 413016060 /nfs/dbraw/zinc/01/60/60/413016060.db2.gz MNQMBPGHLLTAIL-VDISTLRHSA-N 2 0 272.352 1.404 10 0 CDAERP CC[N@H+](CCNC(=O)C[C@@H]1[NH2+]Cc2ccccc21)C1CC1 ZINC000662437869 413017367 /nfs/dbraw/zinc/01/73/67/413017367.db2.gz SSIMTGHWPKFTQN-INIZCTEOSA-N 2 0 287.407 1.822 10 0 CDAERP CCO[C@@H]1CN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)C[C@H]1C[NH3+] ZINC000653349167 413021721 /nfs/dbraw/zinc/02/17/21/413021721.db2.gz CGKBOLFSPAIBDN-QLFBSQMISA-N 2 0 297.443 1.073 10 0 CDAERP CCC[NH+]1CCC(C[NH3+])(N2CC[C@@H](COC)C2)CC1 ZINC000081048451 177761914 /nfs/dbraw/zinc/76/19/14/177761914.db2.gz NEWSLBIPBGBFGY-CQSZACIVSA-N 2 0 269.433 1.158 10 0 CDAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000646979436 390330684 /nfs/dbraw/zinc/33/06/84/390330684.db2.gz MVQMUUFREXJHGB-SWLSCSKDSA-N 2 0 275.396 1.476 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000422986126 285373997 /nfs/dbraw/zinc/37/39/97/285373997.db2.gz BNNOMDHBHXYVJA-MNOVXSKESA-N 2 0 250.333 1.908 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000237067709 390673307 /nfs/dbraw/zinc/67/33/07/390673307.db2.gz HDUDYFCDVHWXOH-JHJVBQTASA-N 2 0 253.390 1.104 10 0 CDAERP C[C@]1(C[N@@H+]2CC[C@@]3(C2)c2ccccc2NC3=O)CC[NH2+]C1 ZINC000647538780 390687315 /nfs/dbraw/zinc/68/73/15/390687315.db2.gz HNEHJBBRHVHBGD-DLBZAZTESA-N 2 0 285.391 1.582 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+][C@@H]2COC3(CCC3)C2)CC1 ZINC000657832517 413047933 /nfs/dbraw/zinc/04/79/33/413047933.db2.gz FKNLPBFBEQUUQJ-HNNXBMFYSA-N 2 0 281.444 1.315 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C[C@@]2(C)CC[NH2+]C2)C[C@@H]1C ZINC000261998254 285397166 /nfs/dbraw/zinc/39/71/66/285397166.db2.gz LBUSHBAYCVQILE-KKUMJFAQSA-N 2 0 253.434 1.791 10 0 CDAERP C[NH+]1CCN(C(C)(C)C[NH2+]C2CC(CF)(CF)C2)CC1 ZINC000657832009 413048077 /nfs/dbraw/zinc/04/80/77/413048077.db2.gz HWVBSSZLMLDVHY-UHFFFAOYSA-N 2 0 289.414 1.690 10 0 CDAERP Cc1nn(C)c(C)c1CC[NH2+]C[C@@H]([NH3+])CC(C)C ZINC000415091752 391013425 /nfs/dbraw/zinc/01/34/25/391013425.db2.gz ZWFMHYJZLTVDMN-ZDUSSCGKSA-N 2 0 252.406 1.542 10 0 CDAERP c1c(CC[NH2+][C@@H]2CCC[NH2+]CC2)nc2ccccn12 ZINC000415106692 391031555 /nfs/dbraw/zinc/03/15/55/391031555.db2.gz NDJQXDYUXNZDQS-CYBMUJFWSA-N 2 0 258.369 1.609 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N[C@H](C)[C@H](C)[NH3+])CC1 ZINC000417753990 391031923 /nfs/dbraw/zinc/03/19/23/391031923.db2.gz UZWPQXBMIMVPLI-NWDGAFQWSA-N 2 0 270.421 1.143 10 0 CDAERP CC(C)(C)[NH2+]CCN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647479932 390966729 /nfs/dbraw/zinc/96/67/29/390966729.db2.gz YGFNWBPPCPUZQM-KBPBESRZSA-N 2 0 253.434 1.839 10 0 CDAERP C[C@H](COCC(F)(F)F)N[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000647549009 390992234 /nfs/dbraw/zinc/99/22/34/390992234.db2.gz FIHJZWGPZZJSKD-AEJSXWLSSA-N 2 0 254.296 1.541 10 0 CDAERP C[C@@H]1C[N@@H+]([C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C[C@@]1(C)C[NH3+] ZINC000647547814 390995143 /nfs/dbraw/zinc/99/51/43/390995143.db2.gz GCQXKHQWYIEOSI-XLWJZTARSA-N 3 0 251.418 1.291 10 0 CDAERP CC(C)Cn1ccnc1C[NH2+]C1CCC([NH3+])CC1 ZINC000415114798 391033994 /nfs/dbraw/zinc/03/39/94/391033994.db2.gz UELQMLCCADRCEP-UHFFFAOYSA-N 2 0 250.390 1.899 10 0 CDAERP CC(C)C[C@@H]([NH3+])CN1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000415129677 391044651 /nfs/dbraw/zinc/04/46/51/391044651.db2.gz VPTZTQLHMMGEHY-IVMMDQJWSA-N 2 0 279.403 1.926 10 0 CDAERP COC(=O)C1CCC([NH2+]C[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000192440047 391075265 /nfs/dbraw/zinc/07/52/65/391075265.db2.gz HIEIJYPVDVBELZ-YMAMQOFZSA-N 2 0 298.427 1.155 10 0 CDAERP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527654577 391087093 /nfs/dbraw/zinc/08/70/93/391087093.db2.gz RZQBYSIRUUTASW-XRGAULLZSA-N 2 0 265.445 1.647 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNCc1cnc(N(C)C)n1C ZINC000414329453 391118450 /nfs/dbraw/zinc/11/84/50/391118450.db2.gz DCUOGNFYSHTRPL-OKILXGFUSA-N 2 0 293.459 1.839 10 0 CDAERP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000245978810 391365963 /nfs/dbraw/zinc/36/59/63/391365963.db2.gz PAFREQSICOCIHJ-UKMLZYKCSA-N 2 0 289.423 1.921 10 0 CDAERP O=C(Nc1ccc2c(c1)C[NH2+]C2)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000335653843 391463260 /nfs/dbraw/zinc/46/32/60/391463260.db2.gz NAAZAFKWEOGNSM-DZGCQCFKSA-N 2 0 257.337 1.228 10 0 CDAERP CC(C)n1cncc1CN1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000425335269 391468819 /nfs/dbraw/zinc/46/88/19/391468819.db2.gz HSVAJNQTFSKGIS-UONOGXRCSA-N 2 0 280.416 1.351 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000418578262 391520112 /nfs/dbraw/zinc/52/01/12/391520112.db2.gz PUQSGMSMOKZNSV-RDBSUJKOSA-N 2 0 282.432 1.109 10 0 CDAERP C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000125125060 391574066 /nfs/dbraw/zinc/57/40/66/391574066.db2.gz JGEBMRWMYYKKSD-AGIUHOORSA-N 2 0 253.390 1.057 10 0 CDAERP CO[C@H](C[NH+]1CCC2(CCC[N@@H+]2C)CC1)C1CC1 ZINC000425458912 391582872 /nfs/dbraw/zinc/58/28/72/391582872.db2.gz NRQNUKWEVODTBU-CQSZACIVSA-N 2 0 252.402 1.972 10 0 CDAERP C(CN1CC[C@H](C[NH+]2CCCC2)C1)C[NH+]1CCCC1 ZINC000161990289 391612217 /nfs/dbraw/zinc/61/22/17/391612217.db2.gz BIBLIWFPDPEUSX-MRXNPFEDSA-N 2 0 265.445 1.890 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000418196430 391804342 /nfs/dbraw/zinc/80/43/42/391804342.db2.gz HIZHCPSRLMHDAI-AGIUHOORSA-N 2 0 270.421 1.238 10 0 CDAERP CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000334959697 391988028 /nfs/dbraw/zinc/98/80/28/391988028.db2.gz RCIQMFCSMWDQPW-GXTWGEPZSA-N 2 0 282.432 1.156 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000646105733 392013165 /nfs/dbraw/zinc/01/31/65/392013165.db2.gz FOOMVLMVKLNDQN-HOCLYGCPSA-N 2 0 289.423 1.847 10 0 CDAERP Cc1ccc(C[NH+](C)C)cc1NC(=O)COC1(C)C[NH2+]C1 ZINC000649343342 392073034 /nfs/dbraw/zinc/07/30/34/392073034.db2.gz ZIMGWLGKHRTXFL-UHFFFAOYSA-N 2 0 291.395 1.374 10 0 CDAERP CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000453316942 392029721 /nfs/dbraw/zinc/02/97/21/392029721.db2.gz KINAZCPRLTZAMR-DGXTUMSLSA-N 2 0 282.428 1.500 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)NC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000646188403 392140200 /nfs/dbraw/zinc/14/02/00/392140200.db2.gz ZHSKLCLJTRGYMI-XUXIUFHCSA-N 2 0 284.448 1.674 10 0 CDAERP O=C(CN1CC[C@@]2(C1)CCC[NH2+]C2)NC(C1CC1)C1CC1 ZINC000520583628 392150968 /nfs/dbraw/zinc/15/09/68/392150968.db2.gz YSYPMOHUYVXVNI-KRWDZBQOSA-N 2 0 291.439 1.367 10 0 CDAERP C[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3C3CC3)C2)CC1 ZINC000646245141 392204296 /nfs/dbraw/zinc/20/42/96/392204296.db2.gz DSEDRRHYYKMHQS-OAHLLOKOSA-N 2 0 291.439 1.558 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC[NH+](C)C)OCC ZINC000440632879 392220179 /nfs/dbraw/zinc/22/01/79/392220179.db2.gz CJNZXRKGSANOEO-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)[C@H](O)C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422987064 392274609 /nfs/dbraw/zinc/27/46/09/392274609.db2.gz FBWDNTLFWGWRKL-BFYDXBDKSA-N 2 0 290.407 1.849 10 0 CDAERP COc1cc([C@H](C)[NH2+]CCCN2CC[NH2+]CC2)ccc1F ZINC000423186692 392427250 /nfs/dbraw/zinc/42/72/50/392427250.db2.gz WWBZGGXWDSUCEF-ZDUSSCGKSA-N 2 0 295.402 1.780 10 0 CDAERP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C[C@H]1CC[NH2+]C1 ZINC000646427788 392437572 /nfs/dbraw/zinc/43/75/72/392437572.db2.gz QXQSVVJHTNAEDZ-CHWSQXEVSA-N 2 0 267.417 1.175 10 0 CDAERP CC[C@@H]1C[C@H]1C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000448852980 392547086 /nfs/dbraw/zinc/54/70/86/392547086.db2.gz MXNKYNMUSMSKIM-OWCLPIDISA-N 2 0 295.471 1.907 10 0 CDAERP CC(C)[NH+]1CCC([NH2+][C@H]2CCC(=O)N[C@H]2C)CC1 ZINC000336448101 392627092 /nfs/dbraw/zinc/62/70/92/392627092.db2.gz IVYFXSQDDZDDFC-AAEUAGOBSA-N 2 0 253.390 1.116 10 0 CDAERP C[C@@H](Cc1ccoc1)[NH2+]CCCC[NH+]1CCOCC1 ZINC000449082702 392632597 /nfs/dbraw/zinc/63/25/97/392632597.db2.gz PFPXIHPAZDJUCQ-AWEZNQCLSA-N 2 0 266.385 1.913 10 0 CDAERP C(C1CC1)[NH+]1CCC([NH2+][C@@H]2CCO[C@]3(CCOC3)C2)CC1 ZINC000540396929 392765513 /nfs/dbraw/zinc/76/55/13/392765513.db2.gz FZPFPMMJVUPVMZ-IAGOWNOFSA-N 2 0 294.439 1.789 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C[NH2+]C1CC1 ZINC000645951244 393427037 /nfs/dbraw/zinc/42/70/37/393427037.db2.gz XKNBLPOBDWIAQD-TXEJJXNPSA-N 2 0 253.390 1.118 10 0 CDAERP C[C@H](CNC(=O)N(C)CC1C[NH+](C)C1)[N@@H+]1CCCC[C@@H]1C ZINC000660343742 413070349 /nfs/dbraw/zinc/07/03/49/413070349.db2.gz ZOCMFGKGZALNHL-UONOGXRCSA-N 2 0 296.459 1.452 10 0 CDAERP O=C([C@H]1CCCn2ccnc21)N1CC[NH+]2CCC1CC2 ZINC000188643432 140099075 /nfs/dbraw/zinc/09/90/75/140099075.db2.gz OIMMLKBMOKQWAB-ZDUSSCGKSA-N 2 0 274.368 1.067 10 0 CDAERP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1ccc(C[NH3+])cc1 ZINC000251899918 140316236 /nfs/dbraw/zinc/31/62/36/140316236.db2.gz WHTIMIKGGYZZSL-BBRMVZONSA-N 2 0 287.407 1.844 10 0 CDAERP C[C@@H]1CCC[N@H+](CCNC(=O)N2CC[NH+]3CCC[C@H]3C2)C1 ZINC000252441947 140319684 /nfs/dbraw/zinc/31/96/84/140319684.db2.gz DNSADMNAWDPQDK-CABCVRRESA-N 2 0 294.443 1.208 10 0 CDAERP CC[C@@H](C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)[NH+](CC)CC ZINC000261652903 140370322 /nfs/dbraw/zinc/37/03/22/140370322.db2.gz BMHWAOJPGKEOKW-ZNMIVQPWSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000261761363 140385314 /nfs/dbraw/zinc/38/53/14/140385314.db2.gz RDXHWWWHIXFZLT-FRRDWIJNSA-N 2 0 253.390 1.118 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000261795239 140390475 /nfs/dbraw/zinc/39/04/75/140390475.db2.gz QKTLGWWDLGMKEY-BZUAXINKSA-N 2 0 293.455 1.742 10 0 CDAERP O=C([C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261832618 140397177 /nfs/dbraw/zinc/39/71/77/140397177.db2.gz OXAHAUXYBINLHQ-OWYFMNJBSA-N 2 0 291.439 1.365 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](CC3CC3)CC2)CC[NH2+]1 ZINC000262302678 140422296 /nfs/dbraw/zinc/42/22/96/140422296.db2.gz AMGQKMCTBXCFNM-JSGCOSHPSA-N 2 0 279.428 1.365 10 0 CDAERP C[C@@H]1CCN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)C[C@@H]1C[NH3+] ZINC000417832296 296532145 /nfs/dbraw/zinc/53/21/45/296532145.db2.gz IMWWRNROPLNZPW-AGIUHOORSA-N 2 0 267.417 1.208 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662593107 413160639 /nfs/dbraw/zinc/16/06/39/413160639.db2.gz LKGJWWMLLPWYGZ-STQMWFEESA-N 2 0 269.433 1.596 10 0 CDAERP CC(C)[NH+]1CCN(CCCN2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000420392672 397701919 /nfs/dbraw/zinc/70/19/19/397701919.db2.gz JBWCFTOJRKRBPY-CALCHBBNSA-N 2 0 294.487 1.229 10 0 CDAERP CCn1ccnc1[C@@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000658105621 413204737 /nfs/dbraw/zinc/20/47/37/413204737.db2.gz BGDYHVPVHKXPCY-LSDHHAIUSA-N 2 0 295.475 1.826 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000105148541 147215726 /nfs/dbraw/zinc/21/57/26/147215726.db2.gz OHYACJBXRVPBDO-HUUCEWRRSA-N 2 0 298.475 1.698 10 0 CDAERP O[C@H](C[NH2+]C[C@H]1CC=CCC1)C[NH+]1CCCCC1 ZINC000120034839 147329498 /nfs/dbraw/zinc/32/94/98/147329498.db2.gz DGYUWVADHIMFLU-LSDHHAIUSA-N 2 0 252.402 1.779 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CCCn2nccc21 ZINC000658109283 413211330 /nfs/dbraw/zinc/21/13/30/413211330.db2.gz VDSGOWAJWYIFQS-LSDHHAIUSA-N 2 0 293.459 1.580 10 0 CDAERP [NH3+][C@H](Cc1ccccc1)C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000178747118 148083948 /nfs/dbraw/zinc/08/39/48/148083948.db2.gz ROPPBGKRVOTTIH-MRXNPFEDSA-N 2 0 287.407 1.253 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H](N[C@@H]2C[NH+](C)C[C@@H]2C)[C@@H](C)C1 ZINC000358375001 286064344 /nfs/dbraw/zinc/06/43/44/286064344.db2.gz GOEJTOSVGXMUDQ-LUKYLMHMSA-N 2 0 297.487 1.663 10 0 CDAERP C[C@H](CCNC(=O)C[C@@H]1[NH2+]Cc2ccccc21)[NH+](C)C ZINC000662636110 413234696 /nfs/dbraw/zinc/23/46/96/413234696.db2.gz XVMNEYGKMPIFEN-DOMZBBRYSA-N 2 0 275.396 1.677 10 0 CDAERP [NH3+]C[C@@H](NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)C1CCCC1 ZINC000334962755 150123458 /nfs/dbraw/zinc/12/34/58/150123458.db2.gz UTRSOOKZAJTLQW-GDBMZVCRSA-N 2 0 294.443 1.289 10 0 CDAERP CN(CC[NH2+]CCCCCF)C(=O)C12CC[NH+](CC1)C2 ZINC001664313337 1172838363 /nfs/dbraw/zinc/83/83/63/1172838363.db2.gz HRYHOJREUISGIT-UHFFFAOYSA-N 2 0 285.407 1.270 10 0 CDAERP CC[C@@H](C)C[NH2+]CCN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001664375181 1172845168 /nfs/dbraw/zinc/84/51/68/1172845168.db2.gz ZRSBBOHAIUIDIW-CABCVRRESA-N 2 0 299.459 1.049 10 0 CDAERP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)N1CCc2ccccc21 ZINC000336128632 151293836 /nfs/dbraw/zinc/29/38/36/151293836.db2.gz KMPNHPDVDUGBAJ-UHFFFAOYSA-N 2 0 299.418 1.651 10 0 CDAERP CC[C@H]1C[N@H+](CCn2ccnc2C)CCN1CC(F)F ZINC000346159100 153076166 /nfs/dbraw/zinc/07/61/66/153076166.db2.gz IEHKNHACWNCXTJ-ZDUSSCGKSA-N 2 0 286.370 1.853 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)NCCC[NH+]1CCCCCC1 ZINC000662666502 413276804 /nfs/dbraw/zinc/27/68/04/413276804.db2.gz SXFAIRHKPPDPGX-AWEZNQCLSA-N 2 0 285.432 1.121 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+]1CCCC1 ZINC000349076624 154045521 /nfs/dbraw/zinc/04/55/21/154045521.db2.gz DBESLGAMHKXRIJ-CYBMUJFWSA-N 2 0 253.390 1.073 10 0 CDAERP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)CC2([NH3+])CC2)C1 ZINC000662683989 413306010 /nfs/dbraw/zinc/30/60/10/413306010.db2.gz VAYNTXBTJXHXSQ-ZIAGYGMSSA-N 2 0 281.444 1.742 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](O)C23CCC3)[C@H]2CCC[C@H]21 ZINC000658251981 413316765 /nfs/dbraw/zinc/31/67/65/413316765.db2.gz POSUOCSKHARZAB-KHMAMNHCSA-N 2 0 264.413 1.752 10 0 CDAERP CC(C)([NH3+])c1cc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)on1 ZINC000662688280 413314896 /nfs/dbraw/zinc/31/48/96/413314896.db2.gz NPXRZNCGYXVHSR-MNOVXSKESA-N 2 0 292.383 1.225 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cc(C)no2)[C@@H](C)C1 ZINC000353948861 156176313 /nfs/dbraw/zinc/17/63/13/156176313.db2.gz XUCJRLIFHMQWFA-SMDDNHRTSA-N 2 0 251.374 1.845 10 0 CDAERP [NH3+][C@@H](c1cn([C@@H]2CCC[NH2+]C2)nn1)c1ccc(Cl)cc1 ZINC000656468151 413324856 /nfs/dbraw/zinc/32/48/56/413324856.db2.gz VDUZIODPZVEKKR-TZMCWYRMSA-N 2 0 291.786 1.904 10 0 CDAERP C[NH+](C)CCn1cc(NC(=O)C2([NH2+]C3CC3)CCC2)cn1 ZINC000662700352 413339671 /nfs/dbraw/zinc/33/96/71/413339671.db2.gz GPJPCLKGNWTWNY-UHFFFAOYSA-N 2 0 291.399 1.058 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCCC[NH+]1CCOCC1 ZINC000355408743 157033772 /nfs/dbraw/zinc/03/37/72/157033772.db2.gz IJJGWOAXMKGOIC-GASCZTMLSA-N 2 0 297.443 1.088 10 0 CDAERP CC[N@@H+]1CCN(C(=O)CC[C@@H]2CCCC[NH+]2C)[C@@H](C)C1 ZINC000359605076 158306184 /nfs/dbraw/zinc/30/61/84/158306184.db2.gz XHFOGCSZMSUIML-GJZGRUSLSA-N 2 0 281.444 1.804 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@@H]1C[NH+](C)C)[NH+](CC)CC ZINC000359791546 158378585 /nfs/dbraw/zinc/37/85/85/158378585.db2.gz HHKSIWPIYNQHNQ-ZIAGYGMSSA-N 2 0 269.433 1.659 10 0 CDAERP CCN(C(=O)NCCC[NH+]1CCCC1)[C@@H]1CC[N@H+](C)C1 ZINC000656540369 413390368 /nfs/dbraw/zinc/39/03/68/413390368.db2.gz GSKKXAGCOGVEST-CQSZACIVSA-N 2 0 282.432 1.208 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000662730874 413396680 /nfs/dbraw/zinc/39/66/80/413396680.db2.gz SWOLXZMZKWTROS-NVXWUHKLSA-N 2 0 289.423 1.407 10 0 CDAERP C[C@@H](C(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1)[C@H](C)[NH3+] ZINC000365189456 159377752 /nfs/dbraw/zinc/37/77/52/159377752.db2.gz BWANKEHFBMWENO-HZSPNIEDSA-N 2 0 267.417 1.447 10 0 CDAERP OCC1([NH2+]CC2CC2)CC[NH+](C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000660761436 413450011 /nfs/dbraw/zinc/45/00/11/413450011.db2.gz YQTWXINRHBYNIJ-MUJYYYPQSA-N 2 0 278.440 1.859 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCN[C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422731295 287014136 /nfs/dbraw/zinc/01/41/36/287014136.db2.gz NKRYLAXYWNULFU-IXDOHACOSA-N 2 0 295.471 1.608 10 0 CDAERP O=C(C[C@H]1CC[NH2+]C1)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000662668228 411817710 /nfs/dbraw/zinc/81/77/10/411817710.db2.gz JDXJEOXNGZYJPO-KGLIPLIRSA-N 2 0 279.428 1.509 10 0 CDAERP C[NH+]1CCN(CC[C@@H]([NH3+])c2ccc(Cl)cc2)CC1 ZINC000020273993 171130678 /nfs/dbraw/zinc/13/06/78/171130678.db2.gz VVUHIJFKLKMPID-CQSZACIVSA-N 2 0 267.804 1.977 10 0 CDAERP CC[C@H]1CN(C(=O)c2cc(C(C)(C)[NH3+])no2)CC[C@H]1[NH3+] ZINC000662776076 413481991 /nfs/dbraw/zinc/48/19/91/413481991.db2.gz UJFKWUOFXZOCKH-VHSXEESVSA-N 2 0 280.372 1.068 10 0 CDAERP [NH3+]C1(CC(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000662793256 413513190 /nfs/dbraw/zinc/51/31/90/413513190.db2.gz JAQASGIVCMUJKY-UHFFFAOYSA-N 2 0 251.374 1.001 10 0 CDAERP [NH3+]C1(CC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000662805694 413525791 /nfs/dbraw/zinc/52/57/91/413525791.db2.gz MHUNFWIDGPIMIU-GXTWGEPZSA-N 2 0 277.412 1.343 10 0 CDAERP O=C(NCCC[NH2+]C1CC1)c1cc(C2CC[NH2+]CC2)no1 ZINC000662823852 413551033 /nfs/dbraw/zinc/55/10/33/413551033.db2.gz JAVLFZPEJDFIDM-UHFFFAOYSA-N 2 0 292.383 1.014 10 0 CDAERP C[C@@H](CNC(=O)N(C)CC1C[NH+](C)C1)[NH+]1CCC(C)CC1 ZINC000660846844 413567054 /nfs/dbraw/zinc/56/70/54/413567054.db2.gz JRSXMXCVUAUSNN-AWEZNQCLSA-N 2 0 296.459 1.310 10 0 CDAERP Cc1cc(N2CCO[C@H](CCC[NH+](C)C)C2)cc[nH+]1 ZINC000664659279 413580169 /nfs/dbraw/zinc/58/01/69/413580169.db2.gz WMSMNAMGSHQDKC-OAHLLOKOSA-N 2 0 263.385 1.937 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000662847095 413597590 /nfs/dbraw/zinc/59/75/90/413597590.db2.gz ZGYPFXIMCNZNLM-MCIONIFRSA-N 2 0 281.444 1.598 10 0 CDAERP Cc1cnc2cc(C(=O)N[C@@H]3CCC[N@@H+](C)C3)ccn12 ZINC000654737469 413669526 /nfs/dbraw/zinc/66/95/26/413669526.db2.gz PEEPCNPKSGGVDK-CYBMUJFWSA-N 2 0 272.352 1.467 10 0 CDAERP C[C@@H]1CCC[C@](C[NH3+])(N2CCC([NH+](C)C)CC2)C1 ZINC000036191650 172502829 /nfs/dbraw/zinc/50/28/29/172502829.db2.gz JMTJEDLVLRHCLO-HIFRSBDPSA-N 2 0 253.434 1.920 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000664719768 413616043 /nfs/dbraw/zinc/61/60/43/413616043.db2.gz YMWLTFSIFROXPS-QWHCGFSZSA-N 2 0 269.433 1.741 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000664719390 413616637 /nfs/dbraw/zinc/61/66/37/413616637.db2.gz QDEPWRSFAJVKKV-NSHDSACASA-N 2 0 291.386 1.468 10 0 CDAERP CCO[C@@H]1C[N@H+](Cc2sccc2C)C[C@H]1C[NH3+] ZINC000405877393 413704914 /nfs/dbraw/zinc/70/49/14/413704914.db2.gz SGADLOPEAGFVCK-VXGBXAGGSA-N 2 0 254.399 1.852 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCN(c3ccccn3)C2)C1 ZINC000654951157 413839459 /nfs/dbraw/zinc/83/94/59/413839459.db2.gz LQMWXPXQVSEHTC-UONOGXRCSA-N 2 0 288.395 1.118 10 0 CDAERP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)[C@@H]1CCOC1 ZINC000665234619 413956579 /nfs/dbraw/zinc/95/65/79/413956579.db2.gz HFKZQCNUKVETIQ-OXGONZEZSA-N 2 0 282.428 1.548 10 0 CDAERP COC[C@H](CC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)OC ZINC000665234323 413957029 /nfs/dbraw/zinc/95/70/29/413957029.db2.gz AWMYVDHGPQXNQW-NILFDRSVSA-N 2 0 264.369 1.772 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000659617932 414024803 /nfs/dbraw/zinc/02/48/03/414024803.db2.gz BIISETKTOOCWPU-QNMSZWNNSA-N 2 0 282.432 1.284 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N(C)CC[NH+]1CCCC1 ZINC000659623957 414031891 /nfs/dbraw/zinc/03/18/91/414031891.db2.gz MVPZYUXPGARWIS-CYBMUJFWSA-N 2 0 270.421 1.097 10 0 CDAERP CCC[NH+]1CCC([C@@H](C)[NH2+]CCOCCO)CC1 ZINC000037221641 173041720 /nfs/dbraw/zinc/04/17/20/173041720.db2.gz XFMSUITZCLQXSH-CYBMUJFWSA-N 2 0 258.406 1.095 10 0 CDAERP Cc1ccc(C[NH2+]CCN2CC[NH+](C)CC2)c(C)c1 ZINC000037496769 173235971 /nfs/dbraw/zinc/23/59/71/173235971.db2.gz DUNLGJZHCOONMV-UHFFFAOYSA-N 2 0 261.413 1.640 10 0 CDAERP C[NH+]1CCC[C@H](NC(=O)NCC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000655131458 414079477 /nfs/dbraw/zinc/07/94/77/414079477.db2.gz AVYNNOZOBXJPTO-KGLIPLIRSA-N 2 0 282.432 1.112 10 0 CDAERP C[C@H](CCNC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)[NH+](C)C ZINC000665355551 414099019 /nfs/dbraw/zinc/09/90/19/414099019.db2.gz YGQPIVHDMAFAAO-CHWSQXEVSA-N 2 0 284.448 1.499 10 0 CDAERP CC[C@@H]1C[C@H]([NH2+]CCCN2CC[NH+](CC)CC2)CO1 ZINC000657307486 414160528 /nfs/dbraw/zinc/16/05/28/414160528.db2.gz DKYHDSRAWFPADR-LSDHHAIUSA-N 2 0 269.433 1.171 10 0 CDAERP C[NH+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000665359984 414107693 /nfs/dbraw/zinc/10/76/93/414107693.db2.gz NZQAZKCUMKDJJP-KBPBESRZSA-N 2 0 296.459 1.452 10 0 CDAERP Cn1ncc(C2CCC2)c1CNC1CC[NH+](C)CC1 ZINC000657294130 414118439 /nfs/dbraw/zinc/11/84/39/414118439.db2.gz FUOBYAAPXVQBJP-UHFFFAOYSA-N 2 0 262.401 1.871 10 0 CDAERP C[C@@H]1C[NH+](CCC[NH+]2CCCCC2)C[C@@H](C)C1O ZINC000661627342 414227840 /nfs/dbraw/zinc/22/78/40/414227840.db2.gz QHGDTXZQPLKODB-ZIAGYGMSSA-N 2 0 254.418 1.811 10 0 CDAERP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655804353 414197194 /nfs/dbraw/zinc/19/71/94/414197194.db2.gz WCIUSXZKFIENTH-MBNYWOFBSA-N 2 0 262.401 1.727 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000655804914 414197726 /nfs/dbraw/zinc/19/77/26/414197726.db2.gz FXGIHBDHYRGCAX-TUVASFSCSA-N 3 0 251.418 1.543 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C2CCN(C3CC3)CC2)C1 ZINC000655803772 414197929 /nfs/dbraw/zinc/19/79/29/414197929.db2.gz DKIOABLNPXSMSK-JNSHFYNHSA-N 2 0 251.418 1.543 10 0 CDAERP C[NH+]1CCC(C)(C[NH2+]Cc2cnn3c2CCC3)CC1 ZINC000657431480 414315801 /nfs/dbraw/zinc/31/58/01/414315801.db2.gz XPGPCOOYWNUXPQ-UHFFFAOYSA-N 2 0 262.401 1.651 10 0 CDAERP c1cc(C[NH2+][C@H]2CCSC2)n(-c2cc[nH+]cc2)n1 ZINC000657378536 414255838 /nfs/dbraw/zinc/25/58/38/414255838.db2.gz LPMDRNNIUXUNBG-NSHDSACASA-N 2 0 260.366 1.862 10 0 CDAERP CCN(C(=O)NC1CC[NH+](CC)CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000663454111 414261809 /nfs/dbraw/zinc/26/18/09/414261809.db2.gz DPILJQHLHZGPMB-OAHLLOKOSA-N 2 0 296.459 1.596 10 0 CDAERP CC[C@H]1CN(Cc2nc3c(s2)C[NH2+]CC3)CC[C@@H]1[NH3+] ZINC000663496568 414291911 /nfs/dbraw/zinc/29/19/11/414291911.db2.gz WFODEBBTBIQBOW-QWRGUYRKSA-N 2 0 280.441 1.348 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@H]1NCc1nc2c(s1)C[NH2+]CC2 ZINC000663495233 414293527 /nfs/dbraw/zinc/29/35/27/414293527.db2.gz WCMCMMALEPVTMM-WDEREUQCSA-N 2 0 280.441 1.396 10 0 CDAERP CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657420875 414306934 /nfs/dbraw/zinc/30/69/34/414306934.db2.gz BZXKTLNJXKCXHB-LSDHHAIUSA-N 2 0 299.378 1.272 10 0 CDAERP C[C@H](O)CCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657453118 414349648 /nfs/dbraw/zinc/34/96/48/414349648.db2.gz VABWOWMBZBIHMO-LBPRGKRZSA-N 2 0 260.341 1.518 10 0 CDAERP COC[C@](C)(O)CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657477511 414375584 /nfs/dbraw/zinc/37/55/84/414375584.db2.gz OFKGZEDCKJOLSS-OAHLLOKOSA-N 2 0 290.367 1.144 10 0 CDAERP c1cc(C[NH2+][C@H]2CCn3ccnc3C2)n(-c2cc[nH+]cc2)n1 ZINC000657439984 414328400 /nfs/dbraw/zinc/32/84/00/414328400.db2.gz JKQUGSQDLMAXAY-ZDUSSCGKSA-N 2 0 294.362 1.568 10 0 CDAERP C[N@H+](CCc1cccs1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662256865 414591417 /nfs/dbraw/zinc/59/14/17/414591417.db2.gz LYFNLTDFRHNBPU-GFCCVEGCSA-N 2 0 266.410 1.743 10 0 CDAERP c1c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)onc1C1CC1 ZINC000662271985 414605586 /nfs/dbraw/zinc/60/55/86/414605586.db2.gz ASBURXYRMXETIV-BETUJISGSA-N 2 0 261.369 1.983 10 0 CDAERP c1cc(C2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)ccn1 ZINC000662277521 414610279 /nfs/dbraw/zinc/61/02/79/414610279.db2.gz RBZKZLHUEHNICT-INIZCTEOSA-N 2 0 287.407 1.782 10 0 CDAERP C[N@@H+]1CC[C@H](NC[C@@H]2C[NH2+]CCO2)[C@@H]1c1ccccc1 ZINC000662284713 414614480 /nfs/dbraw/zinc/61/44/80/414614480.db2.gz ZLXLLBMCIIEGNZ-JYJNAYRXSA-N 2 0 275.396 1.010 10 0 CDAERP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]CC2CC[NH2+]CC2)cn1 ZINC000662309989 414631682 /nfs/dbraw/zinc/63/16/82/414631682.db2.gz FSYPNFJVOAYWRS-HOTGVXAUSA-N 2 0 276.428 1.721 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N2CCC([NH+]3CCCC3)CC2)cc1 ZINC000038101718 174118138 /nfs/dbraw/zinc/11/81/38/174118138.db2.gz QRLBSZJLCMELRG-UHFFFAOYSA-N 2 0 287.407 1.846 10 0 CDAERP C[C@H]([NH2+]CCc1nccn1C)[C@@H]1CCC[N@H+](C)C1 ZINC000040639011 174363054 /nfs/dbraw/zinc/36/30/54/174363054.db2.gz GGXUZWVLVUXYGR-QWHCGFSZSA-N 2 0 250.390 1.283 10 0 CDAERP NC(=O)c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1 ZINC000040750191 174394966 /nfs/dbraw/zinc/39/49/66/174394966.db2.gz JSFJUCZMWPTAMZ-AGUYFDCRSA-N 2 0 259.353 1.240 10 0 CDAERP CC[NH+]1CCC(N(C)[C@@H](C[NH3+])c2ccncc2)CC1 ZINC000043354749 175022430 /nfs/dbraw/zinc/02/24/30/175022430.db2.gz HBJNGLKFPIKUGY-HNNXBMFYSA-N 2 0 262.401 1.498 10 0 CDAERP CC(C)C[N@H+](CCC[NH3+])[C@@H](C)C(=O)NC(C)(C)C ZINC000043417282 175038105 /nfs/dbraw/zinc/03/81/05/175038105.db2.gz ZAPRQBXPSLTVIH-LBPRGKRZSA-N 2 0 257.422 1.596 10 0 CDAERP CC(C)C[N@H+](CCC[NH3+])[C@H](C)C(=O)N1CCCC1 ZINC000043417308 175038423 /nfs/dbraw/zinc/03/84/23/175038423.db2.gz UXXKEGNYZFGVBP-CYBMUJFWSA-N 2 0 255.406 1.304 10 0 CDAERP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N1CC[NH+](CC)CC1 ZINC000043805973 175108301 /nfs/dbraw/zinc/10/83/01/175108301.db2.gz QFZHZFYCSGKXSL-ZNMIVQPWSA-N 2 0 253.434 1.791 10 0 CDAERP CCC[NH2+][C@@H]1CCC[C@@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815418 175112212 /nfs/dbraw/zinc/11/22/12/175112212.db2.gz OBBYORNMRXMURR-CABCVRRESA-N 2 0 253.434 1.933 10 0 CDAERP CC[NH2+][C@H]1CCCCC[C@@H]1N1CCC[N@H+](C)CC1 ZINC000043818326 175113431 /nfs/dbraw/zinc/11/34/31/175113431.db2.gz GCBNQTPJHYZWMH-GJZGRUSLSA-N 2 0 253.434 1.935 10 0 CDAERP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N1CC[NH+](C2CC2)CC1 ZINC000043967672 175129300 /nfs/dbraw/zinc/12/93/00/175129300.db2.gz MUVZEGWDXOYQPM-BMFZPTHFSA-N 2 0 265.445 1.933 10 0 CDAERP CC[NH2+][C@H]1CCC[C@H]1N1CCC(C[NH+](C)C)CC1 ZINC000043970697 175131811 /nfs/dbraw/zinc/13/18/11/175131811.db2.gz QNJGLIJFYRVWIE-LSDHHAIUSA-N 2 0 253.434 1.791 10 0 CDAERP C[C@@H](C(=O)NC[C@@H]1CCC[NH2+]C1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000044501326 175185822 /nfs/dbraw/zinc/18/58/22/175185822.db2.gz PXNSSAPILDKIJD-XDQVBPFNSA-N 2 0 267.417 1.364 10 0 CDAERP CC[NH2+]C1CC[NH+](CC2CC[NH+](CC)CC2)CC1 ZINC000044518829 175191673 /nfs/dbraw/zinc/19/16/73/175191673.db2.gz NHJXEKHHRISPSX-UHFFFAOYSA-N 3 0 253.434 1.792 10 0 CDAERP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NC[C@@H]1CCC[NH+](C)C1 ZINC000044533555 175196911 /nfs/dbraw/zinc/19/69/11/175196911.db2.gz HXZVVVMIMZVVRN-QPSCCSFWSA-N 2 0 253.434 1.647 10 0 CDAERP C[N@@H+]1CCCN(C(=O)C2(C[NH3+])CCCCC2)CC1 ZINC000044762308 175246454 /nfs/dbraw/zinc/24/64/54/175246454.db2.gz FXKOBFKXNPYQQL-UHFFFAOYSA-N 2 0 253.390 1.060 10 0 CDAERP C[C@@H](CC[NH+](C)C)NC(=O)C1(C[NH3+])CCCCCC1 ZINC000044763845 175247705 /nfs/dbraw/zinc/24/77/05/175247705.db2.gz QWIKTRWYQAZPEG-ZDUSSCGKSA-N 2 0 269.433 1.742 10 0 CDAERP CC[NH2+]Cc1ccc(S(=O)(=O)NC[C@@H](C)[NH+](C)C)cc1 ZINC000045110664 175310127 /nfs/dbraw/zinc/31/01/27/175310127.db2.gz JTOLBYOVIKYDPN-GFCCVEGCSA-N 2 0 299.440 1.025 10 0 CDAERP C[NH2+][C@@H]1CCN(C[C@@H]2CC[N@@H+](C(C)C)C2)[C@@H](C)C1 ZINC000045135387 175312696 /nfs/dbraw/zinc/31/26/96/175312696.db2.gz UWYZRJHDXDMVNE-RRFJBIMHSA-N 2 0 253.434 1.789 10 0 CDAERP CC[NH2+][C@](C)(CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)C(N)=O ZINC000045373367 175364817 /nfs/dbraw/zinc/36/48/17/175364817.db2.gz GMNUAAYBDQELND-IJEWVQPXSA-N 2 0 283.460 1.988 10 0 CDAERP CC(C)[NH2+][C@@](C)(CCC[NH+]1CCC(C)CC1)C(N)=O ZINC000045375020 175365580 /nfs/dbraw/zinc/36/55/80/175365580.db2.gz DYMLGFCHGRRYKY-HNNXBMFYSA-N 2 0 269.433 1.741 10 0 CDAERP CC[NH2+][C@](C)(CCC[NH+]1CCC(C)CC1)C(N)=O ZINC000045374980 175365641 /nfs/dbraw/zinc/36/56/41/175365641.db2.gz FQVIOMWQOPQTSL-CQSZACIVSA-N 2 0 255.406 1.352 10 0 CDAERP CC[NH2+][C@](C)(CCC[N@H+]1C[C@H](C)C[C@H](C)C1)C(N)=O ZINC000045373598 175365725 /nfs/dbraw/zinc/36/57/25/175365725.db2.gz BDNBQLFKGWHSCX-VNHYZAJKSA-N 2 0 269.433 1.598 10 0 CDAERP CC[NH2+][C@](C)(CCC[NH+]1CCCCCC1)C(N)=O ZINC000045377539 175366796 /nfs/dbraw/zinc/36/67/96/175366796.db2.gz ZLXYMZSOZCDULF-CQSZACIVSA-N 2 0 255.406 1.496 10 0 CDAERP C[C@](CCC[NH+]1CCCCC1)([NH2+]C1CC1)C(N)=O ZINC000045378379 175367852 /nfs/dbraw/zinc/36/78/52/175367852.db2.gz MIGSXMIYEGPLDI-CQSZACIVSA-N 2 0 253.390 1.249 10 0 CDAERP CC[NH2+][C@](C)(CCC[N@H+](C)C1CCCCC1)C(N)=O ZINC000045379153 175368725 /nfs/dbraw/zinc/36/87/25/175368725.db2.gz WHSBRTVPSMVIJS-OAHLLOKOSA-N 2 0 269.433 1.885 10 0 CDAERP CCC[N@H+](C)CCCC[C@](C)([NH2+]C(C)C)C(N)=O ZINC000045382233 175371185 /nfs/dbraw/zinc/37/11/85/175371185.db2.gz OWWCEKRQRXGXCF-AWEZNQCLSA-N 2 0 257.422 1.741 10 0 CDAERP CC[N@H+](CCC[C@](C)([NH2+]C)C(N)=O)C1CCCC1 ZINC000045390606 175374570 /nfs/dbraw/zinc/37/45/70/175374570.db2.gz XVQZKFLNWHKMFB-AWEZNQCLSA-N 2 0 255.406 1.495 10 0 CDAERP C[NH2+][C@@](C)(CCC[N@H+](C)[C@@H](C)C(C)(C)C)C(N)=O ZINC000045421023 175379798 /nfs/dbraw/zinc/37/97/98/175379798.db2.gz IGCSBVIBSAQNSL-FZMZJTMJSA-N 2 0 257.422 1.596 10 0 CDAERP C[C@@]1(C(=O)N2CCC(C[NH+]3CCCC3)CC2)CC[NH2+]C1 ZINC000062896452 175677027 /nfs/dbraw/zinc/67/70/27/175677027.db2.gz ZYNKYGFMNNFNSD-MRXNPFEDSA-N 2 0 279.428 1.320 10 0 CDAERP C[C@@H]1C[N@@H+](CCN2CCC[NH2+]CC2)C[C@H](C)S1 ZINC000070387886 175905276 /nfs/dbraw/zinc/90/52/76/175905276.db2.gz XJHMAKLGXZBVEU-BETUJISGSA-N 2 0 257.447 1.108 10 0 CDAERP CC(C)(C)N1CC[NH+](C[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000070578534 175994354 /nfs/dbraw/zinc/99/43/54/175994354.db2.gz UNOXJVJZNRYPIY-ZIAGYGMSSA-N 2 0 253.434 1.920 10 0 CDAERP CCC[NH2+][C@@H]1CCCN(C[C@H]2CCC[N@H+](C)C2)C1=O ZINC000071032341 176023795 /nfs/dbraw/zinc/02/37/95/176023795.db2.gz ZJGGWWKGJMTKLI-UONOGXRCSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)[NH+](CCN1CCC[C@H]([NH2+]C2CC2)C1=O)C(C)C ZINC000071036175 176025233 /nfs/dbraw/zinc/02/52/33/176025233.db2.gz SYLISUYVLCZFKI-HNNXBMFYSA-N 2 0 281.444 1.848 10 0 CDAERP CCC[NH2+][C@H]1CCCN([C@@H](C)C[NH+]2CCCCC2)C1=O ZINC000071037370 176026098 /nfs/dbraw/zinc/02/60/98/176026098.db2.gz ANSVFHIMXKRXBA-GJZGRUSLSA-N 2 0 281.444 1.851 10 0 CDAERP C[C@@H]1CCC[C@@H]([N@@H+]2CCCN(CCC[NH3+])CC2)C1 ZINC000071147378 176043276 /nfs/dbraw/zinc/04/32/76/176043276.db2.gz HDMPDRUTSRUICG-HUUCEWRRSA-N 2 0 253.434 1.922 10 0 CDAERP CC[C@@H]1CCCC[C@]1(C[NH3+])N1CCC[N@H+](C)CC1 ZINC000071161556 176046073 /nfs/dbraw/zinc/04/60/73/176046073.db2.gz BOBOSKNAEBNLAU-HUUCEWRRSA-N 2 0 253.434 1.922 10 0 CDAERP C[C@@H]([NH3+])[C@@H](c1ccccc1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071187935 176061230 /nfs/dbraw/zinc/06/12/30/176061230.db2.gz ZIIASMXXFZEVET-FMKPAKJESA-N 2 0 261.413 1.958 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)[C@@H]1CCc2ccccc2[C@@H]1[NH3+] ZINC000071188683 176063788 /nfs/dbraw/zinc/06/37/88/176063788.db2.gz OFTIEGFCEMJIPQ-XYPHTWIQSA-N 2 0 273.424 1.885 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)CC[C@@H]1[NH3+] ZINC000071193264 176075238 /nfs/dbraw/zinc/07/52/38/176075238.db2.gz IWMUPHJAKSUHJR-CRWXNKLISA-N 2 0 267.417 1.160 10 0 CDAERP CCC[NH+]1CCC(N2CCC[C@@H]([NH2+]CC)C2)CC1 ZINC000071201389 176078097 /nfs/dbraw/zinc/07/80/97/176078097.db2.gz LKSADDKABTWPCM-CQSZACIVSA-N 2 0 253.434 1.935 10 0 CDAERP C[NH+](C)CCC[NH2+]CCn1cc(C(F)(F)F)ccc1=O ZINC000071212185 176084103 /nfs/dbraw/zinc/08/41/03/176084103.db2.gz HUIHOGNSWOALIU-UHFFFAOYSA-N 2 0 291.317 1.408 10 0 CDAERP C[N@@H+]1CCCN(Cc2ccc(F)cc2C(N)=[NH2+])CC1 ZINC000071267604 176101260 /nfs/dbraw/zinc/10/12/60/176101260.db2.gz HLKAXHPXDIKMCQ-UHFFFAOYSA-N 2 0 264.348 1.247 10 0 CDAERP CC[C@H]([NH3+])[C@H](N1CC[NH+](CC(C)(C)O)CC1)C(C)(C)C ZINC000071380094 176144221 /nfs/dbraw/zinc/14/42/21/176144221.db2.gz SRISUQLOUJYSMO-KBPBESRZSA-N 2 0 285.476 1.527 10 0 CDAERP C[C@H]1C[C@H]([NH3+])CC[C@@H]1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000071380172 176144306 /nfs/dbraw/zinc/14/43/06/176144306.db2.gz HSGHSVURKNIPFH-GUTXKFCHSA-N 2 0 281.444 1.741 10 0 CDAERP C[C@H]1CCC[C@H](C(=O)NCC[N@H+](C)C2CCCC2)[C@@H]1[NH3+] ZINC000071380142 176144560 /nfs/dbraw/zinc/14/45/60/176144560.db2.gz QMAQFLDVPQYKHE-AEGPPILISA-N 2 0 281.444 1.741 10 0 CDAERP C[NH+](C)[C@H]1CCN(C(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000071401540 176153726 /nfs/dbraw/zinc/15/37/26/176153726.db2.gz NIFVDVJCAVGPKO-GJZGRUSLSA-N 2 0 275.396 1.629 10 0 CDAERP O=C(NCC1CC[NH2+]CC1)c1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC000072168349 176332088 /nfs/dbraw/zinc/33/20/88/176332088.db2.gz JXJVUBUZRUPDNW-MRXNPFEDSA-N 2 0 287.407 1.493 10 0 CDAERP CC[NH+](CC)CCNC(=O)CCCC[n+]1ccccc1 ZINC000075216877 176674186 /nfs/dbraw/zinc/67/41/86/176674186.db2.gz JVEULWDLVHHGPB-UHFFFAOYSA-O 2 0 278.420 1.602 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000418092862 228029222 /nfs/dbraw/zinc/02/92/22/228029222.db2.gz AUXWEXMLIQRWHB-RDBSUJKOSA-N 2 0 296.459 1.404 10 0 CDAERP CC(C)OCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001666553664 1173150122 /nfs/dbraw/zinc/15/01/22/1173150122.db2.gz WMDUXGZJWZWHKN-RRFJBIMHSA-N 2 0 299.459 1.094 10 0 CDAERP C[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C[C@H]1CCCCO1 ZINC000662251363 423794443 /nfs/dbraw/zinc/79/44/43/423794443.db2.gz AQNVNNBIVSHIRG-OLZOCXBDSA-N 2 0 254.374 1.008 10 0 CDAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655446851 423863117 /nfs/dbraw/zinc/86/31/17/423863117.db2.gz CPAPYLHEQCLMDR-GDBMZVCRSA-N 2 0 297.362 1.596 10 0 CDAERP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2nc3c(s2)C[NH2+]CC3)C1 ZINC000663496025 423889225 /nfs/dbraw/zinc/88/92/25/423889225.db2.gz CGMTXLLMUGKYFI-VHSXEESVSA-N 3 0 266.414 1.006 10 0 CDAERP c1ccc([C@H]2CC[NH2+]C[C@H]2NC[C@]23C[C@H]2C[NH2+]C3)cc1 ZINC000663499244 423889821 /nfs/dbraw/zinc/88/98/21/423889821.db2.gz VLJYMZQRGCQGJU-YLFCFFPRSA-N 2 0 271.408 1.331 10 0 CDAERP Clc1ccccc1[C@@H]1C[NH2+]CCN1C[C@@H]1C[NH2+]CCO1 ZINC000662272860 423827845 /nfs/dbraw/zinc/82/78/45/423827845.db2.gz RGQPQNAEKGKFIP-WFASDCNBSA-N 2 0 295.814 1.275 10 0 CDAERP CCC[NH2+][C@H](C)C(=O)N1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000653260075 423828631 /nfs/dbraw/zinc/82/86/31/423828631.db2.gz BYNVOVDXKCSWQD-LXTVHRRPSA-N 2 0 297.443 1.262 10 0 CDAERP CC[NH+](CC)CC(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000653260740 423839831 /nfs/dbraw/zinc/83/98/31/423839831.db2.gz KMHWUDGHZDCGON-ZNMIVQPWSA-N 2 0 297.443 1.216 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCC[C@H]2C)CC1 ZINC000663506552 423899747 /nfs/dbraw/zinc/89/97/47/423899747.db2.gz UWAZHMFOXRNFTQ-UKRRQHHQSA-N 2 0 281.444 1.755 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+]CC2(C)CC2)CC1 ZINC000663506523 423900223 /nfs/dbraw/zinc/90/02/23/423900223.db2.gz SWLIEMNZDYUOAV-UHFFFAOYSA-N 2 0 267.417 1.367 10 0 CDAERP CCN(C(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000663546188 423915079 /nfs/dbraw/zinc/91/50/79/423915079.db2.gz RGNJWWQNXRWBIV-OAHLLOKOSA-N 2 0 294.443 1.349 10 0 CDAERP COc1cccc(C[C@H](C)NC(=O)[C@H](N)CC[NH+](C)C)c1 ZINC000653090055 423917215 /nfs/dbraw/zinc/91/72/15/423917215.db2.gz CYBYXBBJBURZAD-SWLSCSKDSA-N 2 0 293.411 1.021 10 0 CDAERP C[C@@H](CCC[NH3+])NC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659553099 424089611 /nfs/dbraw/zinc/08/96/11/424089611.db2.gz LHGRMEUHYXQMNK-DZGCQCFKSA-N 2 0 296.459 1.535 10 0 CDAERP CN(CC1CC[NH+](C)CC1)C(=O)NCCC1(C[NH3+])CC1 ZINC000652242175 424122225 /nfs/dbraw/zinc/12/22/25/424122225.db2.gz ZVEKJINYYXDXPS-UHFFFAOYSA-N 2 0 282.432 1.099 10 0 CDAERP C[C@H]1CCC[N@H+](CCN2CCCC2=O)[C@H]1CC[NH3+] ZINC000652353881 424285672 /nfs/dbraw/zinc/28/56/72/424285672.db2.gz GFPVHIPEAMORQH-STQMWFEESA-N 2 0 253.390 1.058 10 0 CDAERP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CCOCC(F)F)C1 ZINC000652363410 424314417 /nfs/dbraw/zinc/31/44/17/424314417.db2.gz DGWWAZRSLLSHTQ-AGIUHOORSA-N 2 0 292.370 1.629 10 0 CDAERP C[N@H+](CCNC(=O)NC[C@@H]1CC[NH+]1C(C)(C)C)C1CC1 ZINC000660842509 424319699 /nfs/dbraw/zinc/31/96/99/424319699.db2.gz WLQZKCVXNXYFCA-ZDUSSCGKSA-N 2 0 282.432 1.253 10 0 CDAERP Cn1nccc1[C@@H]1COCCN1CC[C@@H]1CCC[NH2+]C1 ZINC000652364172 424318007 /nfs/dbraw/zinc/31/80/07/424318007.db2.gz ZZHCIRYQJFEVDA-ZFWWWQNUSA-N 2 0 278.400 1.183 10 0 CDAERP C[C@H](NC(=O)N(C)CC1C[NH+](C)C1)C(C)(C)C[NH+](C)C ZINC000660871441 424437657 /nfs/dbraw/zinc/43/76/57/424437657.db2.gz OTMNKYGWCSTJNT-LBPRGKRZSA-N 2 0 284.448 1.166 10 0 CDAERP C[C@@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)[C@H]1CCC[NH2+]C1 ZINC000665235618 424468067 /nfs/dbraw/zinc/46/80/67/424468067.db2.gz XHBGQADFEMBJIE-OLZOCXBDSA-N 2 0 288.457 1.179 10 0 CDAERP C[C@@H]1CN(c2cc[nH+]c3ccccc32)CC[N@@H+]1CCO ZINC000189396525 270277686 /nfs/dbraw/zinc/27/76/86/270277686.db2.gz ISYIDLYEEIOCAJ-CYBMUJFWSA-N 2 0 271.364 1.738 10 0 CDAERP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H](O)CC2(O)CCC2)CC1 ZINC000528371673 270804343 /nfs/dbraw/zinc/80/43/43/270804343.db2.gz LOFVPFWAGFFFQZ-INIZCTEOSA-N 2 0 298.471 1.705 10 0 CDAERP COc1ccc(CC[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cn1 ZINC000530221893 271162869 /nfs/dbraw/zinc/16/28/69/271162869.db2.gz PMXYLUCSYGJBRV-UONOGXRCSA-N 2 0 263.385 1.882 10 0 CDAERP CCN1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000250365941 276178879 /nfs/dbraw/zinc/17/88/79/276178879.db2.gz UVGUFBZAHJHWRD-YHUYYLMFSA-N 2 0 265.445 1.981 10 0 CDAERP CC[C@H]([NH3+])C(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000167776020 276630930 /nfs/dbraw/zinc/63/09/30/276630930.db2.gz XBBUGPIHOCPBMO-STQMWFEESA-N 2 0 253.390 1.201 10 0 CDAERP CC(C)(C)[C@@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C[C@@H]1O ZINC000261914608 277237806 /nfs/dbraw/zinc/23/78/06/277237806.db2.gz JQEOZIQETFOMFB-MJBXVCDLSA-N 2 0 254.418 1.715 10 0 CDAERP COc1ccccc1N1CC[C@H]([NH2+][C@@H](C)C2C[NH2+]C2)C1 ZINC000422879157 278055412 /nfs/dbraw/zinc/05/54/12/278055412.db2.gz UTSVSOYYMMMPKO-JSGCOSHPSA-N 2 0 275.396 1.471 10 0 CDAERP CC(C)(C)C1CCC([NH2+]C[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000263319167 278301838 /nfs/dbraw/zinc/30/18/38/278301838.db2.gz ZYXVQZROINRHOY-RYSNWHEDSA-N 2 0 254.418 1.761 10 0 CDAERP CC(C)C[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000416934124 278868488 /nfs/dbraw/zinc/86/84/88/278868488.db2.gz DBZHLMQOPOWTQN-NEPJUHHUSA-N 2 0 270.421 1.142 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186505663 279350392 /nfs/dbraw/zinc/35/03/92/279350392.db2.gz AAQQSSBRUQFWFV-GFCCVEGCSA-N 2 0 253.390 1.070 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000195129937 280070940 /nfs/dbraw/zinc/07/09/40/280070940.db2.gz SOQCZAUTXAQEJQ-KBPBESRZSA-N 2 0 284.448 1.356 10 0 CDAERP CC[C@H](C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)[NH+](C)C ZINC000119628157 280664019 /nfs/dbraw/zinc/66/40/19/280664019.db2.gz HDXMUCONOMPKRW-HUUCEWRRSA-N 2 0 281.444 1.804 10 0 CDAERP CC1(C)CN(C(=O)C23CCC[NH+]2CCC3)CC[C@@H]1[NH3+] ZINC000335054473 281156494 /nfs/dbraw/zinc/15/64/94/281156494.db2.gz YSCCGXVBLSOHDS-LBPRGKRZSA-N 2 0 265.401 1.201 10 0 CDAERP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)N(C)C)C2)[nH+]1 ZINC000195516125 281245322 /nfs/dbraw/zinc/24/53/22/281245322.db2.gz GYPKYVSFQKEQBZ-ZDUSSCGKSA-N 2 0 276.384 1.212 10 0 CDAERP CC1(C)NC(=O)CC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000338776613 281386186 /nfs/dbraw/zinc/38/61/86/281386186.db2.gz VFVZHDFHONFWKI-UPJWGTAASA-N 2 0 265.401 1.260 10 0 CDAERP C[C@@]1(C[NH+]2CCC(N3CCCC3=O)CC2)CC[NH2+]C1 ZINC000261713019 289163622 /nfs/dbraw/zinc/16/36/22/289163622.db2.gz DYFJGUODHGRHLY-OAHLLOKOSA-N 2 0 265.401 1.073 10 0 CDAERP CC[C@@H](O)C[NH+]1CCN(CC[NH+]2CCC(C)CC2)CC1 ZINC000153962156 289188835 /nfs/dbraw/zinc/18/88/35/289188835.db2.gz MDABIKVYAJEKGC-MRXNPFEDSA-N 2 0 283.460 1.107 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(N(C)C)nc2)C1 ZINC000552967329 290087275 /nfs/dbraw/zinc/08/72/75/290087275.db2.gz MJPNHIJRRFDSAQ-GFCCVEGCSA-N 2 0 276.384 1.106 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H](c1ccc(F)cc1)N(C)C ZINC000422719538 293096313 /nfs/dbraw/zinc/09/63/13/293096313.db2.gz YMJVRUDXLOOYKX-JKSUJKDBSA-N 2 0 297.418 1.772 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1C[C@@H](OC)C12CCC2 ZINC000423172153 293098229 /nfs/dbraw/zinc/09/82/29/293098229.db2.gz RPIAKCRRHUWESZ-RWMBFGLXSA-N 2 0 256.390 1.288 10 0 CDAERP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)[C@H]1CCC[NH2+]C1 ZINC000562958615 293226207 /nfs/dbraw/zinc/22/62/07/293226207.db2.gz CKOGUNFNBSYGKQ-ZFWWWQNUSA-N 3 0 253.434 1.696 10 0 CDAERP Cc1ncc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cn1 ZINC000340434348 293591628 /nfs/dbraw/zinc/59/16/28/293591628.db2.gz KJXRJOJXTBMTAO-KBPBESRZSA-N 2 0 292.427 1.764 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000568293883 294013525 /nfs/dbraw/zinc/01/35/25/294013525.db2.gz WLUPBFFPPHXCMU-RDGKXADDSA-N 2 0 279.428 1.412 10 0 CDAERP COCCN1CC[C@H]([NH2+]CCC2(COC)CC2)C1 ZINC000568882439 294119204 /nfs/dbraw/zinc/11/92/04/294119204.db2.gz WQYZZRKNFGCRBM-ZDUSSCGKSA-N 2 0 256.390 1.113 10 0 CDAERP CC[C@@H]([NH3+])C(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000571093865 294368402 /nfs/dbraw/zinc/36/84/02/294368402.db2.gz UWSWUQKOQPNWBO-CYBMUJFWSA-N 2 0 290.411 1.504 10 0 CDAERP C[C@H]([NH2+]CCN1CCSCC1)[C@@H]1CCC[NH2+]C1 ZINC000571193997 294386652 /nfs/dbraw/zinc/38/66/52/294386652.db2.gz DWOWBRSTBPULSZ-QWHCGFSZSA-N 2 0 257.447 1.013 10 0 CDAERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2C[C@H]2C2CCCCC2)CC1 ZINC000571874606 294519123 /nfs/dbraw/zinc/51/91/23/294519123.db2.gz AJIYWXORUJEJSU-IXDOHACOSA-N 2 0 295.471 1.153 10 0 CDAERP COC[C@@H](C)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000572444435 294622997 /nfs/dbraw/zinc/62/29/97/294622997.db2.gz JTDBSXASNFKGFX-HNNXBMFYSA-N 2 0 284.444 1.703 10 0 CDAERP C[C@@H]1CN(Cc2ccc3c(c2)C[NH2+]CC3)[C@@H](C)C[N@@H+]1C ZINC000574881593 295069804 /nfs/dbraw/zinc/06/98/04/295069804.db2.gz GUQGUNACNXRZPW-KGLIPLIRSA-N 2 0 273.424 1.857 10 0 CDAERP O=C(CC1CC[NH2+]CC1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000366627089 295468079 /nfs/dbraw/zinc/46/80/79/295468079.db2.gz DDNAZIPCKMKMBZ-CABCVRRESA-N 2 0 279.428 1.367 10 0 CDAERP C[C@@H](C[NH2+]CCF)NC(=O)c1ccccc1CC[NH+](C)C ZINC001669622761 1173576930 /nfs/dbraw/zinc/57/69/30/1173576930.db2.gz ULRUVMCXJDBNTG-ZDUSSCGKSA-N 2 0 295.402 1.468 10 0 CDAERP CCCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001669924648 1173631469 /nfs/dbraw/zinc/63/14/69/1173631469.db2.gz FDIXIXKMIFUJNU-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP CN(CCC[NH2+]Cc1nccs1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001670204893 1173662787 /nfs/dbraw/zinc/66/27/87/1173662787.db2.gz NQSJRVBDUUEIKP-GFCCVEGCSA-N 2 0 296.440 1.175 10 0 CDAERP CN(CCC[NH2+]CC1=CCCCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001670345409 1173672997 /nfs/dbraw/zinc/67/29/97/1173672997.db2.gz SQWOEJUWBWGSDA-INIZCTEOSA-N 2 0 293.455 1.877 10 0 CDAERP [NH3+]CC[C@@H](NC(=O)c1ccc(C[NH3+])cc1)C(F)(F)F ZINC000563535270 316326278 /nfs/dbraw/zinc/32/62/78/316326278.db2.gz RYFIJFKDXCGGQZ-SNVBAGLBSA-N 2 0 275.274 1.155 10 0 CDAERP CC[C@@H]1CCCC[C@H]1C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000566615049 316640855 /nfs/dbraw/zinc/64/08/55/316640855.db2.gz FCGQIEMIJHVAME-IXDOHACOSA-N 2 0 297.487 1.401 10 0 CDAERP CC(C)CCC[C@@H](C)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000566725112 316665826 /nfs/dbraw/zinc/66/58/26/316665826.db2.gz QMWOLDOOFTXFEI-CVEARBPZSA-N 2 0 285.476 1.399 10 0 CDAERP CC(C)=CC[NH2+]CC[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001672859143 1173806014 /nfs/dbraw/zinc/80/60/14/1173806014.db2.gz QCTOKFGDKUIFIC-HNNXBMFYSA-N 2 0 281.444 1.733 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185186984 323385824 /nfs/dbraw/zinc/38/58/24/323385824.db2.gz PFWCNZOBDCQBEZ-UHFFFAOYSA-N 2 0 298.475 1.702 10 0 CDAERP C[N@H+](CCNC(=O)CN1CC(C)(C)C1)C1CCCCC1 ZINC000578904748 324055545 /nfs/dbraw/zinc/05/55/45/324055545.db2.gz RXBJRGUUZUBACL-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP O=C(NCc1ccc2c[nH+]cn2c1)[C@@H]1CCc2cncn2C1 ZINC000579842898 324298310 /nfs/dbraw/zinc/29/83/10/324298310.db2.gz RIEYIVADIUDGQL-CYBMUJFWSA-N 2 0 295.346 1.410 10 0 CDAERP CCCC[NH2+][C@@H](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001267492869 1159414644 /nfs/dbraw/zinc/41/46/44/1159414644.db2.gz YVUPDLOOFJEPOO-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP C[N@@H+](C/C=C/Cl)CCCNC(=O)C[NH+]1CCCC1 ZINC001712988271 1159749705 /nfs/dbraw/zinc/74/97/05/1159749705.db2.gz DVDBHSZHPOSXBM-GQCTYLIASA-N 2 0 273.808 1.273 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC1CC1 ZINC001481683280 1159874209 /nfs/dbraw/zinc/87/42/09/1159874209.db2.gz QDEFJEXPLWKYTC-GJZGRUSLSA-N 2 0 279.428 1.412 10 0 CDAERP CC[C@@H](C(=O)N(C)[C@H]1CC[N@H+](CCCCOC)C1)[NH+](C)C ZINC001481746843 1159928099 /nfs/dbraw/zinc/92/80/99/1159928099.db2.gz JJODQHBLERYKET-GJZGRUSLSA-N 2 0 299.459 1.286 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CCF ZINC001732707274 1160194444 /nfs/dbraw/zinc/19/44/44/1160194444.db2.gz DMSOWUCKNDMKNC-KBPBESRZSA-N 2 0 287.423 1.561 10 0 CDAERP C[C@@H](C[NH2+]CCCCCF)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001732411266 1160573282 /nfs/dbraw/zinc/57/32/82/1160573282.db2.gz MLHUVTLZMQZUQU-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP COCC(C)(C)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000668738926 482219601 /nfs/dbraw/zinc/21/96/01/482219601.db2.gz GYSOJULKNIHBIZ-CQSZACIVSA-N 2 0 270.417 1.190 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]C/C=C/Cl ZINC001732452002 1160580220 /nfs/dbraw/zinc/58/02/20/1160580220.db2.gz DEVXHJPATHUECY-NNNHXZLVSA-N 2 0 275.824 1.517 10 0 CDAERP CC[NH+](CC)[C@@H](CNC(=O)NC/C=C/C[NH3+])CC(C)C ZINC000669042708 482460993 /nfs/dbraw/zinc/46/09/93/482460993.db2.gz VPBPYSNKOIMNFJ-HSBSLETESA-N 2 0 284.448 1.557 10 0 CDAERP CNC(=O)[C@H]1CCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000652338261 482463059 /nfs/dbraw/zinc/46/30/59/482463059.db2.gz OTBAWGFKCFGZQE-HNNXBMFYSA-N 2 0 287.407 1.290 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN(C)CC1C[NH+](C)C1 ZINC000668539974 482471656 /nfs/dbraw/zinc/47/16/56/482471656.db2.gz SCLMVRUQZLQWGZ-UHFFFAOYSA-N 2 0 285.395 1.569 10 0 CDAERP CC(C)C[C@@H]([NH3+])C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000669512535 482527203 /nfs/dbraw/zinc/52/72/03/482527203.db2.gz WJUOQCHXLBJWHB-BXUZGUMPSA-N 2 0 263.385 1.696 10 0 CDAERP CC1([NH3+])CCN(C(=O)[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000669514440 482533986 /nfs/dbraw/zinc/53/39/86/482533986.db2.gz CLMCUQWXBYPVTO-LLVKDONJSA-N 2 0 253.390 1.104 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000669520192 482553494 /nfs/dbraw/zinc/55/34/94/482553494.db2.gz WDJJTAIQXQKAMS-STQMWFEESA-N 2 0 275.396 1.160 10 0 CDAERP C[C@@H]1CN(C(=O)[C@H]([NH3+])c2cccc(Cl)c2)C[C@@]1(C)C[NH3+] ZINC000669521289 482568527 /nfs/dbraw/zinc/56/85/27/482568527.db2.gz JMIXKZOYBPMMIW-WDBKCZKBSA-N 2 0 295.814 1.783 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000417372901 482585197 /nfs/dbraw/zinc/58/51/97/482585197.db2.gz AAECTSQUGBDAKO-GJZGRUSLSA-N 2 0 296.459 1.678 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000659608172 482591243 /nfs/dbraw/zinc/59/12/43/482591243.db2.gz AFKVMIPXJPELBQ-MBOZISHXSA-N 2 0 294.443 1.395 10 0 CDAERP O[C@H]1CCC[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000037163962 482672973 /nfs/dbraw/zinc/67/29/73/482672973.db2.gz MNEZCLRECLNFNR-HOCLYGCPSA-N 2 0 275.396 1.944 10 0 CDAERP CC(C)[C@H](C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)[NH+](C)C ZINC000334207127 482710223 /nfs/dbraw/zinc/71/02/23/482710223.db2.gz DQKANMBMDVIOGZ-HIFRSBDPSA-N 2 0 267.417 1.175 10 0 CDAERP C[C@]([NH3+])(C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000334342139 482718840 /nfs/dbraw/zinc/71/88/40/482718840.db2.gz KEQXNLWHTHRTPK-SJORKVTESA-N 2 0 287.407 1.463 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000228232084 482786675 /nfs/dbraw/zinc/78/66/75/482786675.db2.gz QMEMCBLPBCXWNM-KKUMJFAQSA-N 2 0 279.428 1.448 10 0 CDAERP CO[C@@H]1CCC[C@H]([NH2+][C@H](C)CCN2CC[NH+](C)CC2)C1 ZINC000684395872 482791591 /nfs/dbraw/zinc/79/15/91/482791591.db2.gz ZPJFRZGIYLIBJY-OWCLPIDISA-N 2 0 283.460 1.560 10 0 CDAERP Cn1cncc1CCC(=O)Nc1ccc2nccn2c1 ZINC000684441137 482814845 /nfs/dbraw/zinc/81/48/45/482814845.db2.gz ZGOJJQGOQPEXLS-UHFFFAOYSA-N 2 0 269.308 1.639 10 0 CDAERP CNC(=O)[C@@H](C)C[N@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667692381 482904360 /nfs/dbraw/zinc/90/43/60/482904360.db2.gz FYDBYQNCRXNFGQ-LBPRGKRZSA-N 2 0 287.367 1.081 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000666930235 483006346 /nfs/dbraw/zinc/00/63/46/483006346.db2.gz FQGKRZZETPGRCY-HUUCEWRRSA-N 2 0 291.439 1.987 10 0 CDAERP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CC[NH+]2CCC1CC2 ZINC000672942969 483051307 /nfs/dbraw/zinc/05/13/07/483051307.db2.gz WMAHTYIRYGEDQZ-AWEZNQCLSA-N 2 0 294.443 1.350 10 0 CDAERP C[C@@H]1C[N@H+](C)C[C@H]1Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000674878882 483165888 /nfs/dbraw/zinc/16/58/88/483165888.db2.gz RVJPUUURNOYOBO-BXUZGUMPSA-N 2 0 257.341 1.629 10 0 CDAERP C[N@@H+]1CCC[C@H](N2CC[NH+](CC3(C)CCC3)CC2)C1 ZINC000683698374 483614252 /nfs/dbraw/zinc/61/42/52/483614252.db2.gz RZKBLVBCNKPFTP-HNNXBMFYSA-N 2 0 265.445 1.888 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]C/C=C\Cl ZINC001483010460 1160665115 /nfs/dbraw/zinc/66/51/15/1160665115.db2.gz LPHZQBPIJFQDQX-GBVBIRLMSA-N 2 0 299.846 1.874 10 0 CDAERP CC(C)[NH2+][C@@](C)(C[C@@H](C)N1CC[NH+](C(C)C)CC1)C(N)=O ZINC000068625848 519736792 /nfs/dbraw/zinc/73/67/92/519736792.db2.gz CDJLYLFNCGYWNT-ZBFHGGJFSA-N 2 0 298.475 1.033 10 0 CDAERP C[C@@H](C[NH2+]CCF)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001483251634 1160881760 /nfs/dbraw/zinc/88/17/60/1160881760.db2.gz HYAKWJAMYYDIEZ-ZDUSSCGKSA-N 2 0 287.423 1.562 10 0 CDAERP CC(C)C[NH2+]CC1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000068890161 519743278 /nfs/dbraw/zinc/74/32/78/519743278.db2.gz OVPWIGKYLGZGPQ-LBPRGKRZSA-N 2 0 282.350 1.867 10 0 CDAERP CCCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001733165303 1161070865 /nfs/dbraw/zinc/07/08/65/1161070865.db2.gz IQKKXPHMMTXPED-KGLIPLIRSA-N 2 0 267.417 1.365 10 0 CDAERP CCC[NH2+][C@@](C)(C[C@@H](C)[NH+]1CCC(COC)CC1)C(N)=O ZINC000068647733 520042385 /nfs/dbraw/zinc/04/23/85/520042385.db2.gz VLUCTXZUNADNMG-CJNGLKHVSA-N 2 0 299.459 1.367 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000061272934 520063313 /nfs/dbraw/zinc/06/33/13/520063313.db2.gz ZKTNEJIZMXZVIU-KGLIPLIRSA-N 2 0 269.433 1.613 10 0 CDAERP CCC[NH2+][C@H]1CCOC[C@@H]1N1CC[NH+](CC(C)C)CC1 ZINC000055079408 520096733 /nfs/dbraw/zinc/09/67/33/520096733.db2.gz IDDOUKGGHMHGCU-HOTGVXAUSA-N 2 0 283.460 1.417 10 0 CDAERP CCC[NH2+][C@](C)(C[C@H](C)N1CCC[C@@H]1C[NH+](C)C)C(N)=O ZINC000068642819 520114048 /nfs/dbraw/zinc/11/40/48/520114048.db2.gz CWRIVTJGTLROKE-SQWLQELKSA-N 2 0 298.475 1.035 10 0 CDAERP C[NH+]1CCN(CCC[NH2+]Cc2nc3c(s2)CCC3)CC1 ZINC000093053772 1161119633 /nfs/dbraw/zinc/11/96/33/1161119633.db2.gz FVLIDASYQQCNBY-UHFFFAOYSA-N 2 0 294.468 1.359 10 0 CDAERP CC[NH2+][C@@](C)(CCCC[N@H+](CC)CC1CC1)C(N)=O ZINC000069239457 520130066 /nfs/dbraw/zinc/13/00/66/520130066.db2.gz KREBVNOXTLXOQL-HNNXBMFYSA-N 2 0 269.433 1.742 10 0 CDAERP CC[NH2+][C@@](C)(C[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1)C(=O)[O-] ZINC000068632231 520143556 /nfs/dbraw/zinc/14/35/56/520143556.db2.gz MFNGIDRKQZLJAH-BBRMVZONSA-N 2 0 299.459 1.491 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[NH2+]CCC2CC2)CC[N@@H+]1C ZINC001483929712 1161241297 /nfs/dbraw/zinc/24/12/97/1161241297.db2.gz NCYJGRCVRHTHNN-VNQPRFMTSA-N 2 0 293.455 1.707 10 0 CDAERP CC[NH+](CC)CCNC(=O)[C@@H]1CCC[C@H](C)[C@@H]1[NH3+] ZINC000055122986 520677856 /nfs/dbraw/zinc/67/78/56/520677856.db2.gz UNTSUMFSWQYHEQ-XQQFMLRXSA-N 2 0 255.406 1.208 10 0 CDAERP CC(C)C[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001485349611 1161276243 /nfs/dbraw/zinc/27/62/43/1161276243.db2.gz IDPIIWWTBASYLB-KGLIPLIRSA-N 2 0 269.433 1.421 10 0 CDAERP CCC(CC)[N@H+](CCOC)Cc1cc(C[NH3+])no1 ZINC000052573356 521558783 /nfs/dbraw/zinc/55/87/83/521558783.db2.gz FGKNCLXABPXHNP-UHFFFAOYSA-N 2 0 255.362 1.770 10 0 CDAERP CC(C)N(CC[N@H+](C)CC1CC1)C(=O)C[NH+]1CCCC1 ZINC001486380101 1161454365 /nfs/dbraw/zinc/45/43/65/1161454365.db2.gz XDVKHHNJQNVBNM-UHFFFAOYSA-N 2 0 281.444 1.661 10 0 CDAERP C[NH2+]Cc1cnc(N(C)C2CC[NH+](C)CC2)s1 ZINC000054899475 522145972 /nfs/dbraw/zinc/14/59/72/522145972.db2.gz BKWNJLJNSBLASL-UHFFFAOYSA-N 2 0 254.403 1.393 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]CCC(F)(F)F)C1 ZINC001717647091 1180771665 /nfs/dbraw/zinc/77/16/65/1180771665.db2.gz VEDGYFVLXSWLIZ-XYPYZODXSA-N 2 0 295.349 1.375 10 0 CDAERP CCc1nc(N(C)[C@H]2CCC[N@H+](C)C2)sc1C[NH2+]C ZINC000054998300 522381206 /nfs/dbraw/zinc/38/12/06/522381206.db2.gz YMHHDNXSEFIUBZ-NSHDSACASA-N 2 0 282.457 1.955 10 0 CDAERP CC(C)CCOCC[N@@H+]1CCCN(CCC[NH3+])CC1 ZINC000049265201 519665649 /nfs/dbraw/zinc/66/56/49/519665649.db2.gz PXXFJTFSSOXFSO-UHFFFAOYSA-N 2 0 271.449 1.406 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CC[C@H](COCC[NH+]2CCCC2)O1 ZINC000052670465 519724026 /nfs/dbraw/zinc/72/40/26/519724026.db2.gz VYJQBPCGUWZSCH-LSDHHAIUSA-N 2 0 270.417 1.644 10 0 CDAERP CC(C)C[NH+]1CCN(C[C@H]2CC[C@H](C[NH2+]C(C)C)O2)CC1 ZINC000055082818 519726489 /nfs/dbraw/zinc/72/64/89/519726489.db2.gz JEDRPNYOMRANCE-IAGOWNOFSA-N 2 0 297.487 1.806 10 0 CDAERP CC(C)C[NH+]1CCN([C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000055077558 519727587 /nfs/dbraw/zinc/72/75/87/519727587.db2.gz YQTYDMZFARSYCE-LSDHHAIUSA-N 2 0 253.434 1.778 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CC[C@H](C[N@@H+]2CCOCC2(C)C)O1 ZINC000052546200 519746376 /nfs/dbraw/zinc/74/63/76/519746376.db2.gz SCAYUORNFNNQSJ-HUUCEWRRSA-N 2 0 284.444 1.890 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CC[C@H](COCC[NH+](C)C)O1 ZINC000052669883 519746478 /nfs/dbraw/zinc/74/64/78/519746478.db2.gz WPHNEDGTDJGYAN-ZIAGYGMSSA-N 2 0 258.406 1.358 10 0 CDAERP CC(C)OCCC[NH2+]CCN1CC[C@H]([NH+](C)C)C1 ZINC000062974189 519764402 /nfs/dbraw/zinc/76/44/02/519764402.db2.gz BQDFMEDUZRMRLX-AWEZNQCLSA-N 2 0 257.422 1.027 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050951210 519813989 /nfs/dbraw/zinc/81/39/89/519813989.db2.gz UBAKIRJVCRMQRO-KGLIPLIRSA-N 2 0 269.433 1.611 10 0 CDAERP CCCC(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000070264266 519862257 /nfs/dbraw/zinc/86/22/57/519862257.db2.gz QQMMKLQRKHUUNW-UHFFFAOYSA-N 2 0 255.406 1.271 10 0 CDAERP CC(C)c1ncc(N2CCC[C@@H]2C[NH+](C)C)c(C[NH3+])n1 ZINC000061654346 519876894 /nfs/dbraw/zinc/87/68/94/519876894.db2.gz SSGBFOCNSGHAPJ-GFCCVEGCSA-N 2 0 277.416 1.589 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000061297212 519904128 /nfs/dbraw/zinc/90/41/28/519904128.db2.gz REQMPXIAABZWJK-UHFFFAOYSA-N 2 0 267.417 1.461 10 0 CDAERP CC[NH2+]CCC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000061296514 519915839 /nfs/dbraw/zinc/91/58/39/519915839.db2.gz NREPUWOJYAEQOT-CYBMUJFWSA-N 2 0 253.390 1.073 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)CCc2ccncc2)O1 ZINC000052483144 519954198 /nfs/dbraw/zinc/95/41/98/519954198.db2.gz ZCGPHWMXCJYVNH-JKSUJKDBSA-N 2 0 277.412 1.713 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)N(CC[NH+](C)C)Cc1ccc(C)o1 ZINC000061266004 519961028 /nfs/dbraw/zinc/96/10/28/519961028.db2.gz LSFJLWOYOKVEAE-ZDUSSCGKSA-N 2 0 295.427 1.724 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@H](C[N@H+](CCOC)CC(C)C)O1 ZINC000052508692 519980132 /nfs/dbraw/zinc/98/01/32/519980132.db2.gz XSPQSVGLTNBIOY-HUUCEWRRSA-N 2 0 272.433 1.748 10 0 CDAERP CCC[NH2+][C@H](CC[NH+]1CCC(C[NH+](C)C)CC1)C(=O)[O-] ZINC000062460509 520074087 /nfs/dbraw/zinc/07/40/87/520074087.db2.gz AAXJSHNLYDBJRE-CQSZACIVSA-N 2 0 285.432 1.103 10 0 CDAERP CC[NH2+][C@@H](CC)[C@@H](C)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062940512 520081550 /nfs/dbraw/zinc/08/15/50/520081550.db2.gz CTTPNWREURNFCQ-KFWWJZLASA-N 2 0 253.434 1.933 10 0 CDAERP CCC[NH2+][C@](C)(C[C@@H](C)N(C)[C@@H]1CCC[N@H+](C)C1)C(N)=O ZINC000068642405 520109254 /nfs/dbraw/zinc/10/92/54/520109254.db2.gz ISUHQZDUDAUTPZ-IIAWOOMASA-N 2 0 298.475 1.035 10 0 CDAERP CC[NH2+][C@H](CN1CC[NH+](C2CCCC2)CC1)C1CC1 ZINC000069074982 520198972 /nfs/dbraw/zinc/19/89/72/520198972.db2.gz OJJMOHUCBXWSHJ-MRXNPFEDSA-N 2 0 265.445 1.935 10 0 CDAERP CC[NH2+][C@H]1CCOC[C@@H]1N1CC[NH+](CC(C)C)CC1 ZINC000055079176 520217240 /nfs/dbraw/zinc/21/72/40/520217240.db2.gz FJEMTRXICXGEAB-GJZGRUSLSA-N 2 0 269.433 1.027 10 0 CDAERP CC[NH2+][C@](C)(C[C@H](C)[N@H+](C)CC1CC[NH+](C)CC1)C(=O)[O-] ZINC000068646425 520237413 /nfs/dbraw/zinc/23/74/13/520237413.db2.gz SDHXJWWLKTUWDG-XJKSGUPXSA-N 2 0 299.459 1.491 10 0 CDAERP CC[NH+](CC)CCC[C@@H](C)[NH2+]CC(=O)N(C)C1CC1 ZINC000049304504 520632149 /nfs/dbraw/zinc/63/21/49/520632149.db2.gz KKVRGHYHBFHXJE-CYBMUJFWSA-N 2 0 269.433 1.707 10 0 CDAERP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000227879558 520632936 /nfs/dbraw/zinc/63/29/36/520632936.db2.gz MNACTEKQUQINOY-BFHYXJOUSA-N 2 0 269.433 1.741 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(c2ccc(C(N)=[NH2+])cn2)C1 ZINC000062980534 520849310 /nfs/dbraw/zinc/84/93/10/520849310.db2.gz GXYGETGCNLXKJY-GFCCVEGCSA-N 2 0 261.373 1.286 10 0 CDAERP CC[NH+]1CCC(C[NH3+])(N2Cc3ccccc3C2)CC1 ZINC000050910677 521549910 /nfs/dbraw/zinc/54/99/10/521549910.db2.gz FWRHCJIRZBOWEM-UHFFFAOYSA-N 2 0 259.397 1.815 10 0 CDAERP CC[NH+]1CCN(CCOc2ccc(C[NH2+]C)cc2)CC1 ZINC000052422381 521683516 /nfs/dbraw/zinc/68/35/16/521683516.db2.gz ZWDYCANPHPHWLZ-UHFFFAOYSA-N 2 0 277.412 1.422 10 0 CDAERP C[NH+](C)CCN1CC[NH+](C[C@@H]2CCCCC[C@@H]2O)CC1 ZINC000061654126 521763681 /nfs/dbraw/zinc/76/36/81/521763681.db2.gz FQXCEFYDSAVZHP-HOTGVXAUSA-N 2 0 283.460 1.107 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000061656186 521861998 /nfs/dbraw/zinc/86/19/98/521861998.db2.gz KMLHUEVJJKTGRS-MCIONIFRSA-N 2 0 267.417 1.447 10 0 CDAERP C[NH+](C)Cc1ccc(C(=O)N2CCC([NH+](C)C)CC2)cn1 ZINC000339270191 521896437 /nfs/dbraw/zinc/89/64/37/521896437.db2.gz MGYCKBQDHJGORS-UHFFFAOYSA-N 2 0 290.411 1.309 10 0 CDAERP C[NH+](C)[C@H]1CCN(CC[NH2+]Cc2cccs2)C1 ZINC000062974114 522105374 /nfs/dbraw/zinc/10/53/74/522105374.db2.gz KKXBAHAJFHMPJG-LBPRGKRZSA-N 2 0 253.415 1.474 10 0 CDAERP C[NH2+]Cc1cc(CN(CC[NH+](C)C)CC(C)C)on1 ZINC000052503336 522106237 /nfs/dbraw/zinc/10/62/37/522106237.db2.gz ZSIQYDKGPMCBLW-UHFFFAOYSA-N 2 0 268.405 1.414 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)CC2CCC([NH3+])CC2)CC1 ZINC000055131997 522109409 /nfs/dbraw/zinc/10/94/09/522109409.db2.gz KFFDTSNCIKCXJD-WLYUNCDWSA-N 2 0 281.444 1.837 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000055066872 522121137 /nfs/dbraw/zinc/12/11/37/522121137.db2.gz LEWOOFSGJUSXRY-HUUCEWRRSA-N 2 0 253.434 1.792 10 0 CDAERP C[NH2+]Cc1ccccc1CN1CC[NH+](C2CC2)CC1 ZINC000052371417 522133833 /nfs/dbraw/zinc/13/38/33/522133833.db2.gz UJIVQYFZWGYCJD-UHFFFAOYSA-N 2 0 259.397 1.686 10 0 CDAERP C[NH2+][C@@](C)(C[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1)C(=O)[O-] ZINC000068632283 522419238 /nfs/dbraw/zinc/41/92/38/522419238.db2.gz WYCFFJHKQWOOAT-WFASDCNBSA-N 2 0 285.432 1.101 10 0 CDAERP C[N@H+](CCO)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052182141 522883797 /nfs/dbraw/zinc/88/37/97/522883797.db2.gz GQODTPVYNNGSLM-UHFFFAOYSA-N 2 0 258.406 1.095 10 0 CDAERP C[N@H+](CCn1cc(C[NH3+])nn1)C1CCCCCC1 ZINC000052482072 522998919 /nfs/dbraw/zinc/99/89/19/522998919.db2.gz CVJVVSCDQDTTHC-UHFFFAOYSA-N 2 0 251.378 1.391 10 0 CDAERP CC[C@H]1CC[C@@H]([NH3+])[C@H](N2CCN(CC[NH+](C)C)CC2)C1 ZINC000061643877 523186822 /nfs/dbraw/zinc/18/68/22/523186822.db2.gz ROWVKALLDWSOLB-ARFHVFGLSA-N 2 0 282.476 1.072 10 0 CDAERP CC[C@]1(C(=O)N[C@@H](C)CC[NH+](C)C)CCC[NH2+]C1 ZINC000062860046 523541608 /nfs/dbraw/zinc/54/16/08/523541608.db2.gz FRGAMODVPDKUAR-JSGCOSHPSA-N 2 0 255.406 1.223 10 0 CDAERP COCC[N@@H+](Cc1cccnc1C(N)=[NH2+])CC(C)C ZINC000061658233 523762673 /nfs/dbraw/zinc/76/26/73/523762673.db2.gz RFJYMUCGQAMRNK-UHFFFAOYSA-N 2 0 264.373 1.470 10 0 CDAERP C[NH+]1CCC(OCCOc2ccc(C[NH3+])cc2)CC1 ZINC000052596750 523780307 /nfs/dbraw/zinc/78/03/07/523780307.db2.gz ZNZDWIDPCMOZJK-UHFFFAOYSA-N 2 0 264.369 1.635 10 0 CDAERP CC[C@H](C)[NH+]1CCN(c2cc(C(N)=[NH2+])ccn2)CC1 ZINC000055067157 523960353 /nfs/dbraw/zinc/96/03/53/523960353.db2.gz UAOZNMCNQNTCLF-NSHDSACASA-N 2 0 261.373 1.286 10 0 CDAERP C[NH+](C)CC(C)(C)CNC(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050939374 524045832 /nfs/dbraw/zinc/04/58/32/524045832.db2.gz OGARHWXOZUDMPF-ZDUSSCGKSA-N 2 0 269.433 1.613 10 0 CDAERP C[NH+](C)CC1CCN(C(=O)[C@H]2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000055161526 524049296 /nfs/dbraw/zinc/04/92/96/524049296.db2.gz TXSQXIIGWHCWPV-HOCLYGCPSA-N 2 0 295.471 1.942 10 0 CDAERP C[NH+](C)CC1CCN(CC[NH2+]C2CCOCC2)CC1 ZINC000062767793 524049523 /nfs/dbraw/zinc/04/95/23/524049523.db2.gz REVPLPKSZSZOTO-UHFFFAOYSA-N 2 0 269.433 1.029 10 0 CDAERP C[C@@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC000055138665 524301704 /nfs/dbraw/zinc/30/17/04/524301704.db2.gz CSWZCGGZOUIMFS-XJFOESAGSA-N 2 0 267.417 1.350 10 0 CDAERP C[C@H](C[NH+]1CCCC1)NC(=O)C1CCC([NH3+])CC1 ZINC000049184805 524313751 /nfs/dbraw/zinc/31/37/51/524313751.db2.gz FIKVFUOYNDRZBK-PNESKVBLSA-N 2 0 253.390 1.104 10 0 CDAERP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000049559684 524471140 /nfs/dbraw/zinc/47/11/40/524471140.db2.gz HYUGKJVEOFEJTK-XUXIUFHCSA-N 2 0 267.417 1.364 10 0 CDAERP C[C@@H](CC[NH+](C)C)[NH2+]C[C@H](O)c1ccc(F)c(F)c1 ZINC000049557335 524473792 /nfs/dbraw/zinc/47/37/92/524473792.db2.gz SVAQUYHXOVFSTR-HZMBPMFUSA-N 2 0 272.339 1.928 10 0 CDAERP C[C@@H](CCn1cccn1)[NH2+]CCCC[NH+]1CCOCC1 ZINC000158650421 524548610 /nfs/dbraw/zinc/54/86/10/524548610.db2.gz ORPYFBWPAXFKPW-HNNXBMFYSA-N 2 0 280.416 1.364 10 0 CDAERP Cc1ccc(C[NH2+]CCN2CCC[N@@H+](C)CC2)s1 ZINC000049591404 524575042 /nfs/dbraw/zinc/57/50/42/524575042.db2.gz FRZAANYGRDUYIJ-UHFFFAOYSA-N 2 0 267.442 1.784 10 0 CDAERP C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CCC[C@@H]1CCC[NH2+]1 ZINC000052764498 524645584 /nfs/dbraw/zinc/64/55/84/524645584.db2.gz DVYBGWFMAWHTTJ-AGIUHOORSA-N 2 0 253.390 1.104 10 0 CDAERP Cc1ccc(OC[C@@H](O)C[NH2+][C@H](C)CC[NH+](C)C)cc1 ZINC000049557494 525429595 /nfs/dbraw/zinc/42/95/95/525429595.db2.gz SQBKEXBESLXNNT-CABCVRRESA-N 2 0 280.412 1.665 10 0 CDAERP [NH3+]C1CCC([NH+]2CCN(c3nccs3)CC2)CC1 ZINC000055144246 527140605 /nfs/dbraw/zinc/14/06/05/527140605.db2.gz XGQUOUQPPXKEBU-UHFFFAOYSA-N 2 0 266.414 1.535 10 0 CDAERP [NH3+]CCCC[N@@H+]1CCCN(c2ncnc3c2CCC3)CC1 ZINC000061276297 527176102 /nfs/dbraw/zinc/17/61/02/527176102.db2.gz LYSHBJULVDHWNJ-UHFFFAOYSA-N 2 0 289.427 1.216 10 0 CDAERP [NH3+]Cc1ccoc1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000062973340 527261366 /nfs/dbraw/zinc/26/13/66/527261366.db2.gz QVOUATAEJARBLF-CQSZACIVSA-N 2 0 263.385 1.799 10 0 CDAERP [NH3+]Cc1cnc(N2CC[C@H]([NH+]3CCCC3)C2)s1 ZINC000062975191 527264659 /nfs/dbraw/zinc/26/46/59/527264659.db2.gz GCKCNPWFOGZBQV-JTQLQIEISA-N 2 0 252.387 1.276 10 0 CDAERP [NH3+]Cc1ncccc1C[N@H+](CCO)Cc1ccccc1 ZINC000061656922 527265897 /nfs/dbraw/zinc/26/58/97/527265897.db2.gz KLBBZJGLKMJOGC-UHFFFAOYSA-N 2 0 271.364 1.535 10 0 CDAERP CC(C)OCC[NH+]1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000262128784 535331708 /nfs/dbraw/zinc/33/17/08/535331708.db2.gz XYMKGHBVBKMBLD-OAHLLOKOSA-N 2 0 269.433 1.029 10 0 CDAERP CC1(C)CN(C(=O)[C@@H]([NH3+])Cc2ccccc2)CC[C@H]1[NH3+] ZINC000262073798 535341727 /nfs/dbraw/zinc/34/17/27/535341727.db2.gz SOTCHFFIMBRTSD-UONOGXRCSA-N 2 0 275.396 1.142 10 0 CDAERP CCOC(=O)[C@@]1(C(C)C)CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262013634 535594858 /nfs/dbraw/zinc/59/48/58/535594858.db2.gz MMTCTEDJWIJCCA-HOTGVXAUSA-N 2 0 282.428 1.897 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCN1CCc2ccccc2C1 ZINC000422811428 536595256 /nfs/dbraw/zinc/59/52/56/536595256.db2.gz VYHAGRJGGUMIIL-QGZVFWFLSA-N 2 0 291.439 1.388 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)CC[NH+]2CCCC2)[C@@H](C)C1 ZINC000760864269 576518576 /nfs/dbraw/zinc/51/85/76/576518576.db2.gz YDHHOSAOVXGGGF-LSDHHAIUSA-N 2 0 253.434 1.744 10 0 CDAERP CC[NH2+]CC1CC[NH+](C[C@@H]2C[C@H]3COC[C@@H]3O2)CC1 ZINC000724576384 679863082 /nfs/dbraw/zinc/86/30/82/679863082.db2.gz DYXIERQRLSJKHI-KKUMJFAQSA-N 2 0 268.401 1.112 10 0 CDAERP CC(C)C[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001690180257 1175395214 /nfs/dbraw/zinc/39/52/14/1175395214.db2.gz POEBSOBQDLOJBR-CQSZACIVSA-N 2 0 267.417 1.223 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1cn2c(n1)SCC2 ZINC000926194982 617480417 /nfs/dbraw/zinc/48/04/17/617480417.db2.gz ZXPXZWSCAIANRV-ONXXMXGDSA-N 2 0 292.452 1.461 10 0 CDAERP CCO[C@H](CN[C@H](C)c1ccc(C[NH3+])nc1C)C[NH+](C)C ZINC000925836814 617866790 /nfs/dbraw/zinc/86/67/90/617866790.db2.gz DICMBHCCRJDVHY-IUODEOHRSA-N 2 0 294.443 1.466 10 0 CDAERP C[NH+](C)CCOCC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925649600 617592110 /nfs/dbraw/zinc/59/21/10/617592110.db2.gz LRCMBKQXNFXDIL-STQMWFEESA-N 3 0 257.422 1.060 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](O)c1c(F)cccc1F ZINC000925765795 617607898 /nfs/dbraw/zinc/60/78/98/617607898.db2.gz FJQZMSAXXIWTBO-ZWNOBZJWSA-N 2 0 288.338 1.342 10 0 CDAERP [NH3+][C@H]1C[C@@H]([NH2+]C[C@@H](O)Cc2ccccc2)C12CCC2 ZINC000925667850 617621884 /nfs/dbraw/zinc/62/18/84/617621884.db2.gz DWGOUTGRRYOSIB-SOUVJXGZSA-N 2 0 260.381 1.450 10 0 CDAERP CN1C[C@H](CC[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1=O ZINC000925812714 617757375 /nfs/dbraw/zinc/75/73/75/617757375.db2.gz NFMPRBSHULCGAL-UPJWGTAASA-N 2 0 267.417 1.350 10 0 CDAERP CC1(C)C[C@@H]([NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)C[C@@H]([NH3+])C1 ZINC000925834101 617860810 /nfs/dbraw/zinc/86/08/10/617860810.db2.gz WCOSVWSOMDOCHQ-DGTMBMJNSA-N 2 0 268.401 1.286 10 0 CDAERP C(CC[NH2+][C@H]1CCC12CCOCC2)CCN1CC[NH2+]CC1 ZINC000925846737 617881458 /nfs/dbraw/zinc/88/14/58/617881458.db2.gz PBOZPBPQXXMZEM-INIZCTEOSA-N 2 0 295.471 1.611 10 0 CDAERP COC(=O)C1=CC[C@H]([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925724190 617899739 /nfs/dbraw/zinc/89/97/39/617899739.db2.gz WXQOMYJPAFEGPJ-SDDRHHMPSA-N 2 0 250.342 1.108 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCC[C@H](CO)C1 ZINC000926593837 618142134 /nfs/dbraw/zinc/14/21/34/618142134.db2.gz ABILVIDHRFNSJE-UUWGUWTESA-N 2 0 252.402 1.467 10 0 CDAERP COC(=O)[C@@H]1CC12CC[NH+](CCC[NH2+]C1CC1)CC2 ZINC000923373505 618324066 /nfs/dbraw/zinc/32/40/66/618324066.db2.gz QIBITUXGZJFTJL-ZDUSSCGKSA-N 2 0 266.385 1.404 10 0 CDAERP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000925021820 618792066 /nfs/dbraw/zinc/79/20/66/618792066.db2.gz BWRNTGXIQISPPP-XUWVNRHRSA-N 2 0 284.444 1.484 10 0 CDAERP C[C@@H]1[C@@H]([NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)CO[C@H]1C ZINC000925042082 618826687 /nfs/dbraw/zinc/82/66/87/618826687.db2.gz RRXJRUWHGFNHCT-AYDFFVQHSA-N 2 0 281.444 1.168 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H](CO)Cc1ccco1 ZINC000925287371 620879413 /nfs/dbraw/zinc/87/94/13/620879413.db2.gz QCXZOWIIRWCRNN-GODZRQRCSA-N 2 0 278.396 1.360 10 0 CDAERP CCO[C@H](CN[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C[NH+](C)C ZINC000926958880 621630280 /nfs/dbraw/zinc/63/02/80/621630280.db2.gz HXUAHVGJMQOEIY-OAGGEKHMSA-N 2 0 283.460 1.560 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@@H]1C[C@@H]([NH+](C)C)C12CCC2)[NH+](C)C ZINC000898836698 621887556 /nfs/dbraw/zinc/88/75/56/621887556.db2.gz ZHNBHLKOSFAHCV-MCIONIFRSA-N 2 0 281.444 1.562 10 0 CDAERP O=C(NCCC[NH+]1CCCCCC1)C12CC[NH+](CC1)C2 ZINC000900014531 622638586 /nfs/dbraw/zinc/63/85/86/622638586.db2.gz ZFOQWEQWINWYHR-UHFFFAOYSA-N 2 0 279.428 1.465 10 0 CDAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[N@@H+]1CCCC[C@@H]1C ZINC000900198603 622786864 /nfs/dbraw/zinc/78/68/64/622786864.db2.gz HKFJSISQDWGRRL-KBPBESRZSA-N 2 0 279.428 1.461 10 0 CDAERP O=C(N1CCC[C@@H]([NH+]2CCCC2)C1)C12CC[NH+](CC1)C2 ZINC000900619651 623304711 /nfs/dbraw/zinc/30/47/11/623304711.db2.gz UURCNXXCMHVYEO-CQSZACIVSA-N 2 0 277.412 1.169 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)/C=C(/C)CN1CCOCC1 ZINC000900696378 623355598 /nfs/dbraw/zinc/35/55/98/623355598.db2.gz XEXZRGSLOWAXPB-QKXCFHHRSA-N 2 0 297.443 1.111 10 0 CDAERP CN(Cc1ccc(F)cc1)C1(C[NH3+])CCOCC1 ZINC000042436939 624217624 /nfs/dbraw/zinc/21/76/24/624217624.db2.gz BWGCOHWWIXNHLQ-UHFFFAOYSA-N 2 0 252.333 1.765 10 0 CDAERP CCCn1cc([C@@H](C)[NH2+][C@H]2CCn3ccnc3C2)nn1 ZINC000902964128 625708145 /nfs/dbraw/zinc/70/81/45/625708145.db2.gz SZDBDDOPIWPQHL-NEPJUHHUSA-N 2 0 274.372 1.550 10 0 CDAERP CO[C@]1(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CCSC1 ZINC000903315103 625970352 /nfs/dbraw/zinc/97/03/52/625970352.db2.gz SKJAAIAUECLYPK-KBXIAJHMSA-N 2 0 284.469 1.971 10 0 CDAERP OC1(C2(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)CCOCC1 ZINC000903349968 625975931 /nfs/dbraw/zinc/97/59/31/625975931.db2.gz NAKJDPRBAZPUSP-LSDHHAIUSA-N 2 0 294.439 1.525 10 0 CDAERP COC(=O)[C@@H](C)[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1 ZINC000903458680 625994526 /nfs/dbraw/zinc/99/45/26/625994526.db2.gz GXBVMRXQXKFBHU-BFJAYTPKSA-N 2 0 290.407 1.982 10 0 CDAERP COC[C@@H](C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+])C(C)C ZINC000903449494 625999986 /nfs/dbraw/zinc/99/99/86/625999986.db2.gz DXJXEYYBBLUZEN-HUUCEWRRSA-N 2 0 299.459 1.225 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN(CC[NH3+])CCc1ccccc1 ZINC000903453100 626001219 /nfs/dbraw/zinc/00/12/19/626001219.db2.gz ZEXYGNCUHYHWIQ-ZBFHGGJFSA-N 2 0 261.413 1.345 10 0 CDAERP CC(C)COC(=O)N1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903454833 626001808 /nfs/dbraw/zinc/00/18/08/626001808.db2.gz KIPRWIOCSOEPTP-KGLIPLIRSA-N 2 0 283.416 1.524 10 0 CDAERP CCOC(=O)[C@@]1(F)CN(C[C@@H]2C[NH2+]C[C@H]2C)C[C@@H]1CC ZINC000903482024 626006496 /nfs/dbraw/zinc/00/64/96/626006496.db2.gz URHNHQUMLLRUFO-UKTARXLSSA-N 2 0 286.391 1.455 10 0 CDAERP COc1ccc([C@H](C[NH3+])C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1 ZINC000903500333 626009267 /nfs/dbraw/zinc/00/92/67/626009267.db2.gz WWWPEYQJAVHUDP-FVQBIDKESA-N 3 0 291.439 1.654 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@H+](CCO)C2CCCC2)cnn1C ZINC000903873218 626127200 /nfs/dbraw/zinc/12/72/00/626127200.db2.gz NKRBSDHYTUDNIA-AWEZNQCLSA-N 2 0 294.443 1.083 10 0 CDAERP C[N@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)[C@@H](CO)C(C)(C)C ZINC000903897279 626137129 /nfs/dbraw/zinc/13/71/29/626137129.db2.gz GRMFQYXBEYQAOM-OCCSQVGLSA-N 2 0 295.431 1.041 10 0 CDAERP CC[C@@](C)(CC(=O)OC)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903906296 626141046 /nfs/dbraw/zinc/14/10/46/626141046.db2.gz VFBRQRNBTBJNEA-FLTXBFBQSA-N 2 0 268.401 1.838 10 0 CDAERP C[C@H]1CCSCC[N@@H+]1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903908595 626142238 /nfs/dbraw/zinc/14/22/38/626142238.db2.gz LQSVBBWIWKYEKL-QWHCGFSZSA-N 2 0 295.456 1.530 10 0 CDAERP C[C@H](CN1CCOCC1)[N@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903911024 626144298 /nfs/dbraw/zinc/14/42/98/626144298.db2.gz VELRKWNBXPINQI-WZYMTQMTSA-N 2 0 281.444 1.170 10 0 CDAERP C[C@H]1CC2(CCC2)C[N@@H+]1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903918429 626146202 /nfs/dbraw/zinc/14/62/02/626146202.db2.gz ZJACKCUZFDNFGH-UONOGXRCSA-N 2 0 289.427 1.967 10 0 CDAERP CCOC(=O)N1CCC([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903922078 626147731 /nfs/dbraw/zinc/14/77/31/626147731.db2.gz UMXIZJBHCRVNNI-LQDVMPOASA-N 2 0 295.427 1.728 10 0 CDAERP CCC(CC)[C@H](O)C[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903922972 626148275 /nfs/dbraw/zinc/14/82/75/626148275.db2.gz IPKFSFNRQWRTCF-UKRRQHHQSA-N 2 0 295.431 1.089 10 0 CDAERP CC[NH+](CC)CCC[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903927492 626148976 /nfs/dbraw/zinc/14/89/76/626148976.db2.gz RZDZSACQWIVLOA-GOOCMWNKSA-N 3 0 253.434 1.839 10 0 CDAERP Cc1noc([C@H](C)[N@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000903931156 626151529 /nfs/dbraw/zinc/15/15/29/626151529.db2.gz AAHKODLFAIBQGW-SMHCIBLRSA-N 2 0 264.373 1.901 10 0 CDAERP C[NH+](C)CCC[C@@H]1CN(C[C@H]([NH3+])CC(F)F)CCO1 ZINC000903933197 626153091 /nfs/dbraw/zinc/15/30/91/626153091.db2.gz LTEMAGBTZIZSMV-VXGBXAGGSA-N 2 0 279.375 1.012 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[NH+]2CCC(C)(F)CC2)cnn1C ZINC000903937941 626155860 /nfs/dbraw/zinc/15/58/60/626155860.db2.gz VWTYTMFHGQELOL-ZDUSSCGKSA-N 2 0 282.407 1.670 10 0 CDAERP CO[C@@H]1CC[N@H+](C[C@H](C[NH3+])Cc2cnn(C)c2C)[C@H](C)C1 ZINC000903915862 626156558 /nfs/dbraw/zinc/15/65/58/626156558.db2.gz COQIEWRDGDJYEA-IVMMDQJWSA-N 2 0 294.443 1.345 10 0 CDAERP Cc1nc2ccccn2c1C[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903973890 626168920 /nfs/dbraw/zinc/16/89/20/626168920.db2.gz HZNIZSKDJHOJIE-TZMCWYRMSA-N 2 0 272.396 1.978 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000903967725 626172390 /nfs/dbraw/zinc/17/23/90/626172390.db2.gz MDXRTOCMSNJFHX-ZBFHGGJFSA-N 2 0 288.439 1.491 10 0 CDAERP C[C@H]1[NH2+]CC[C@@H]1c1nc(CC2CC[NH2+]CC2)no1 ZINC000905312935 626743595 /nfs/dbraw/zinc/74/35/95/626743595.db2.gz HBSHERJLVRVTHA-KOLCDFICSA-N 2 0 250.346 1.077 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000907650888 627764820 /nfs/dbraw/zinc/76/48/20/627764820.db2.gz MQIWSYUDPRDJNB-LSDHHAIUSA-N 2 0 281.444 1.804 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC000908176874 628052861 /nfs/dbraw/zinc/05/28/61/628052861.db2.gz GDLQJWPDJFLSKF-PMPSAXMXSA-N 2 0 293.455 1.994 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC([NH+]2CCCC2)C1 ZINC000912325274 629937398 /nfs/dbraw/zinc/93/73/98/629937398.db2.gz VKZUNAFRCZUANU-AWEZNQCLSA-N 2 0 265.401 1.167 10 0 CDAERP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000913280947 630424359 /nfs/dbraw/zinc/42/43/59/630424359.db2.gz ISFDNJGKQDRBJJ-RRQGHBQHSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)C2(O)CCCC2)CCN1C ZINC000929782990 630964260 /nfs/dbraw/zinc/96/42/60/630964260.db2.gz OFFRQZKGGDXYNB-MCIONIFRSA-N 2 0 270.417 1.067 10 0 CDAERP CC[N@H+](CCNC(=O)N[C@@H]1CC[NH+](C)[C@H]1C)C(C)C ZINC000916165187 631930393 /nfs/dbraw/zinc/93/03/93/631930393.db2.gz PPBQJBYMKVBMNG-QWHCGFSZSA-N 2 0 270.421 1.109 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@H]1CC[NH+](C)[C@H]1C ZINC000923057914 682388196 /nfs/dbraw/zinc/38/81/96/682388196.db2.gz KFLSZXIRFCWZBY-KBPBESRZSA-N 2 0 284.448 1.356 10 0 CDAERP CO[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CN2CCC[C@@H]2CO1 ZINC000385968184 682681345 /nfs/dbraw/zinc/68/13/45/682681345.db2.gz PQVNLMPMKBEYRA-YIYPIFLZSA-N 2 0 254.374 1.007 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713360090 683546960 /nfs/dbraw/zinc/54/69/60/683546960.db2.gz DSNUWRDCAIRBBK-IPYPFGDCSA-N 2 0 267.417 1.160 10 0 CDAERP CC[C@@H](C[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)OC ZINC001480866209 1158469133 /nfs/dbraw/zinc/46/91/33/1158469133.db2.gz WDYWNJMUSOXSHZ-SOUVJXGZSA-N 2 0 299.459 1.190 10 0 CDAERP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@@H](Cc2nc(C)cs2)C1 ZINC000923552723 683997225 /nfs/dbraw/zinc/99/72/25/683997225.db2.gz YNVNWBPVFJPKRH-GXTWGEPZSA-N 2 0 283.441 1.286 10 0 CDAERP [NH3+]C[C@H]1CN(Cc2ccccn2)C[C@@H]1C(F)(F)F ZINC000720827292 679701229 /nfs/dbraw/zinc/70/12/29/679701229.db2.gz IRACKDUXFBYKNF-ONGXEEELSA-N 2 0 259.275 1.651 10 0 CDAERP CNC(=O)c1cccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000923495978 679701772 /nfs/dbraw/zinc/70/17/72/679701772.db2.gz GJIFMUMDGFRFOL-DOMZBBRYSA-N 2 0 275.396 1.463 10 0 CDAERP CCN(C(=O)C1CC[NH+](C2CC2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000855361475 679702362 /nfs/dbraw/zinc/70/23/62/679702362.db2.gz VRWQGOHZEZYQNU-HNNXBMFYSA-N 2 0 279.428 1.413 10 0 CDAERP CCOC(=O)C(F)(F)[C@H]1CCC[C@H]([NH2+]CCC[NH3+])C1 ZINC000817939129 679710982 /nfs/dbraw/zinc/71/09/82/679710982.db2.gz ZJHAMUCGKXKVQV-QWRGUYRKSA-N 2 0 278.343 1.682 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]CC2(CO)CC3(CCC3)C2)C12CCC2 ZINC000925652466 679728011 /nfs/dbraw/zinc/72/80/11/679728011.db2.gz FPHBRHMUKXNPOP-OLZOCXBDSA-N 2 0 264.413 1.789 10 0 CDAERP C[C@@H]1C[C@@H]1NC(=[NH2+])NCCC[N@@H+]1CCCC[C@H]1C ZINC000864450133 679733518 /nfs/dbraw/zinc/73/35/18/679733518.db2.gz FXRJFJKSUOFLHB-UPJWGTAASA-N 2 0 252.406 1.773 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)c2cccc(C[NH3+])c2)CC[N@@H+]1C ZINC000830351341 679735559 /nfs/dbraw/zinc/73/55/59/679735559.db2.gz PVCSSKRJHPWIJI-DOMZBBRYSA-N 2 0 275.396 1.700 10 0 CDAERP C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)O[C@@H]1CCOC1 ZINC000923365780 679744156 /nfs/dbraw/zinc/74/41/56/679744156.db2.gz YWJPPWLDOXOPBR-RBSFLKMASA-N 2 0 268.401 1.256 10 0 CDAERP CC(C)CNC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923500548 679747333 /nfs/dbraw/zinc/74/73/33/679747333.db2.gz PMRRUOODWGMWRD-FRRDWIJNSA-N 2 0 255.406 1.064 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000713045500 679758091 /nfs/dbraw/zinc/75/80/91/679758091.db2.gz UVLQQMIYRZEHPQ-RYUDHWBXSA-N 2 0 255.406 1.206 10 0 CDAERP CCC[C@H](C)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870022256 679758342 /nfs/dbraw/zinc/75/83/42/679758342.db2.gz PZWNIMKDIQFJIX-RRFJBIMHSA-N 2 0 283.460 1.620 10 0 CDAERP CCO[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C[NH+](C)C ZINC000925839027 679769350 /nfs/dbraw/zinc/76/93/50/679769350.db2.gz OVDQBNOWSDUDSF-KLHDSHLOSA-N 2 0 283.460 1.463 10 0 CDAERP C(C[NH2+]C1CC1)CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062973436 679773449 /nfs/dbraw/zinc/77/34/49/679773449.db2.gz RBPAAEUPIYVLDR-HNNXBMFYSA-N 2 0 251.418 1.689 10 0 CDAERP C[C@H]([NH2+][C@@H]1CCCN2CCSC[C@H]12)[C@@H]1CCC[NH2+]C1 ZINC000720494947 679776934 /nfs/dbraw/zinc/77/69/34/679776934.db2.gz JXOCQPDUSATBAM-GBJTYRQASA-N 2 0 283.485 1.544 10 0 CDAERP C[C@H](CC(N)=O)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927037278 679777113 /nfs/dbraw/zinc/77/71/13/679777113.db2.gz IXGSSUKLGIORJR-LKSINWNRSA-N 2 0 253.390 1.247 10 0 CDAERP O[C@@H](C[NH2+]C[C@@H]1C[C@H]1C1CCOCC1)C[NH+]1CCCC1 ZINC000872231880 679778619 /nfs/dbraw/zinc/77/86/19/679778619.db2.gz SXAKHWPGDGNAKV-JYJNAYRXSA-N 2 0 282.428 1.095 10 0 CDAERP CCC(CC)[C@H](CNC(=[NH2+])N1CCO[C@H](C)C1)[NH+](C)C ZINC000848984293 679796352 /nfs/dbraw/zinc/79/63/52/679796352.db2.gz ILSSXOHXRYGSCA-OCCSQVGLSA-N 2 0 284.448 1.598 10 0 CDAERP C[C@@H]1C[C@@H](NC[C@@H]2C[NH2+]CCC2(F)F)C[N@@H+]1C1CC1 ZINC000925775001 679799673 /nfs/dbraw/zinc/79/96/73/679799673.db2.gz BPYNTJSJPMBOEW-GRYCIOLGSA-N 2 0 273.371 1.446 10 0 CDAERP C[C@@H](C[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1)C(C)(C)C ZINC000923428108 679806528 /nfs/dbraw/zinc/80/65/28/679806528.db2.gz WFQCCARVSQMCGL-STQMWFEESA-N 2 0 254.418 1.979 10 0 CDAERP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@@H](O)CCC3(O)CCC3)C2)C1 ZINC000930577879 679810393 /nfs/dbraw/zinc/81/03/93/679810393.db2.gz QJMBBDROPLSZQC-HOTGVXAUSA-N 2 0 296.455 1.460 10 0 CDAERP CCCCC[C@H](C)NC(=O)CN1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000708876001 679816857 /nfs/dbraw/zinc/81/68/57/679816857.db2.gz OURYAIIFKKAYOC-RDBSUJKOSA-N 2 0 269.433 1.598 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000851657917 679822935 /nfs/dbraw/zinc/82/29/35/679822935.db2.gz QMWOCLUCHQBHEN-HZSPNIEDSA-N 2 0 284.448 1.532 10 0 CDAERP O[C@@H](CN1CC[NH2+]CCC12CCC2)CC(F)(F)F ZINC000713259172 679825048 /nfs/dbraw/zinc/82/50/48/679825048.db2.gz YCXRWGVJWJMJJL-SNVBAGLBSA-N 2 0 266.307 1.518 10 0 CDAERP CCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C ZINC001266481221 1158556024 /nfs/dbraw/zinc/55/60/24/1158556024.db2.gz LYWXLTZYHOLOKN-XHSDSOJGSA-N 2 0 293.455 1.946 10 0 CDAERP C[C@H]1C[C@@H]1NC(=[NH2+])NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000864461510 679739988 /nfs/dbraw/zinc/73/99/88/679739988.db2.gz DSLKZPKTGVIJBR-WFASDCNBSA-N 2 0 287.411 1.820 10 0 CDAERP CC(=O)N1CC[C@@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925721752 679739381 /nfs/dbraw/zinc/73/93/81/679739381.db2.gz QGHYSVZYRVFSBM-PMPSAXMXSA-N 2 0 279.428 1.365 10 0 CDAERP CC[N@H+](CCN[C@H]1CC[NH2+]C12CCCC2)C1CC1 ZINC000925555801 681724867 /nfs/dbraw/zinc/72/48/67/681724867.db2.gz HLMIFWCKTKRMPO-AWEZNQCLSA-N 2 0 251.418 1.735 10 0 CDAERP C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)[C@H]1CC[NH2+]C1 ZINC000715570910 679829560 /nfs/dbraw/zinc/82/95/60/679829560.db2.gz GJEXKXMZIQZTCZ-DNDYEEKYSA-N 3 0 253.434 1.837 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C1(F)CC1 ZINC000843782705 679830598 /nfs/dbraw/zinc/83/05/98/679830598.db2.gz RIDIFAGABIJRQX-CYBMUJFWSA-N 2 0 285.407 1.363 10 0 CDAERP CC(C)[NH+]1CCN(CCCN2CCC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC000866724723 679843335 /nfs/dbraw/zinc/84/33/35/679843335.db2.gz OJFZFDNNMAKXGM-DLBZAZTESA-N 2 0 294.487 1.229 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000925262827 679853938 /nfs/dbraw/zinc/85/39/38/679853938.db2.gz BTNSVSMZKQCBOD-KWIKQGISSA-N 2 0 252.402 1.467 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)N2CCCC[C@H]2C)C[C@H]1CC[NH3+] ZINC000723894892 679857241 /nfs/dbraw/zinc/85/72/41/679857241.db2.gz QXVODUDDYTTYSY-MGPQQGTHSA-N 2 0 267.417 1.304 10 0 CDAERP COC[C@@H](CC(C)C)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925854850 679862991 /nfs/dbraw/zinc/86/29/91/679862991.db2.gz NXHKHSZSUPAYFA-KGLIPLIRSA-N 2 0 298.427 1.322 10 0 CDAERP COCCCC[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709799686 679863135 /nfs/dbraw/zinc/86/31/35/679863135.db2.gz MPYBPSJKCOVSCK-NXEZZACHSA-N 2 0 254.296 1.482 10 0 CDAERP CCOCCOCC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925874809 679871333 /nfs/dbraw/zinc/87/13/33/679871333.db2.gz NTEGFXLWJRGNEQ-HZPDHXFCSA-N 2 0 284.444 1.797 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262348549 681845041 /nfs/dbraw/zinc/84/50/41/681845041.db2.gz HAYOCMQYYDKFLV-MELADBBJSA-N 2 0 267.417 1.317 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+][C@H](c2ccccn2)C2CCC2)CC1 ZINC000925113148 681195029 /nfs/dbraw/zinc/19/50/29/681195029.db2.gz IYGMVXFPNIRYCT-INIZCTEOSA-N 2 0 289.423 1.969 10 0 CDAERP CNC(=O)[C@H](CCSC)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925669255 681202959 /nfs/dbraw/zinc/20/29/59/681202959.db2.gz RYTHWMJUTZIFET-SRVKXCTJSA-N 2 0 287.473 1.350 10 0 CDAERP CCCCOC[C@@H](O)C[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714486586 681236335 /nfs/dbraw/zinc/23/63/35/681236335.db2.gz OERKVMKKNDYQAE-HNNXBMFYSA-N 2 0 286.460 1.861 10 0 CDAERP CC(C)O[C@]1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCOC1 ZINC000722356109 681527249 /nfs/dbraw/zinc/52/72/49/681527249.db2.gz MURMMEQGEDSTKW-XHSDSOJGSA-N 2 0 282.428 1.787 10 0 CDAERP CC(C)(C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)N1CCOCC1 ZINC000925501270 681587196 /nfs/dbraw/zinc/58/71/96/681587196.db2.gz BULPSCDJJLKLCZ-KBPBESRZSA-N 2 0 283.460 1.593 10 0 CDAERP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925544047 681646724 /nfs/dbraw/zinc/64/67/24/681646724.db2.gz XTLIGSYMLYIJGY-XUWVNRHRSA-N 3 0 297.487 1.709 10 0 CDAERP CC1(C)CCC[C@@H](C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)O1 ZINC000714384953 681731296 /nfs/dbraw/zinc/73/12/96/681731296.db2.gz KSLBYUXALJPMSV-CABCVRRESA-N 2 0 281.444 1.314 10 0 CDAERP OCC1(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CCC1 ZINC000925647923 681737419 /nfs/dbraw/zinc/73/74/19/681737419.db2.gz KJBKRUQGZPSSEI-GJZGRUSLSA-N 2 0 266.429 1.907 10 0 CDAERP CCSCC[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000783627747 681763553 /nfs/dbraw/zinc/76/35/53/681763553.db2.gz XGCULUWNGQEAHI-AWEZNQCLSA-N 2 0 272.458 1.973 10 0 CDAERP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000930556569 681774868 /nfs/dbraw/zinc/77/48/68/681774868.db2.gz XVNGLTYKTXLTMB-GUTXKFCHSA-N 2 0 266.385 1.213 10 0 CDAERP C[C@H]1[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC[N@@H+]1C ZINC000928430927 681815043 /nfs/dbraw/zinc/81/50/43/681815043.db2.gz ACYBNHUTLXOQQC-XJKSGUPXSA-N 2 0 289.423 1.613 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C[C@H]([NH3+])C1CC1 ZINC000124094401 681828775 /nfs/dbraw/zinc/82/87/75/681828775.db2.gz RKHKMUSCYYASAQ-OLZOCXBDSA-N 2 0 253.390 1.057 10 0 CDAERP FC(F)(F)[C@@H]1C[C@H]1C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925831680 681829870 /nfs/dbraw/zinc/82/98/70/681829870.db2.gz LLPUKPBLGJLUJQ-HXYJUXSPSA-N 2 0 260.303 1.771 10 0 CDAERP C[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1cn(C)nn1 ZINC000715886571 681835978 /nfs/dbraw/zinc/83/59/78/681835978.db2.gz WRZRVBKBVXBXGZ-GHMZBOCLSA-N 2 0 251.378 1.196 10 0 CDAERP C[C@@H]1CC[N@H+](C[C@@H]2CC[C@H](C3CC3)O2)C[C@@H]1C[NH3+] ZINC000715507337 681872012 /nfs/dbraw/zinc/87/20/12/681872012.db2.gz GIMHPRLDIKLXMH-UQOMUDLDSA-N 2 0 252.402 1.861 10 0 CDAERP Cc1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923490182 681882275 /nfs/dbraw/zinc/88/22/75/681882275.db2.gz BQQDNURPVNLXAA-HRCADAONSA-N 2 0 292.423 1.651 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC[C@@H]1CCOC1 ZINC000849018278 681892204 /nfs/dbraw/zinc/89/22/04/681892204.db2.gz YPPPMMVCCWJEIC-OLZOCXBDSA-N 2 0 268.405 1.011 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711357476 681942690 /nfs/dbraw/zinc/94/26/90/681942690.db2.gz XJETZQUFJMOECP-RYUDHWBXSA-N 2 0 255.406 1.079 10 0 CDAERP COC(=O)[C@](C)(O)C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212186 682029445 /nfs/dbraw/zinc/02/94/45/682029445.db2.gz HJTUKLQYDZAZJL-MRXNPFEDSA-N 2 0 294.395 1.104 10 0 CDAERP CON1CCC([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000925093297 682045473 /nfs/dbraw/zinc/04/54/73/682045473.db2.gz GYZPUDCJZPAFLM-AWEZNQCLSA-N 2 0 297.443 1.103 10 0 CDAERP CCC[N@H+](C)CC(=O)NCc1nc(CN(C)C)cs1 ZINC000927768955 682046929 /nfs/dbraw/zinc/04/69/29/682046929.db2.gz DDDVIWYXGAGZOQ-UHFFFAOYSA-N 2 0 284.429 1.163 10 0 CDAERP CC1(C)[C@@H]([NH2+]C2CC(CC(N)=O)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925825352 682052957 /nfs/dbraw/zinc/05/29/57/682052957.db2.gz ZNROEUYAJHJJAD-SLTAENAHSA-N 2 0 265.401 1.007 10 0 CDAERP Cn1nc2c(c1C[NH2+]C1CCC([NH+](C)C)CC1)COCC2 ZINC000922192419 682143660 /nfs/dbraw/zinc/14/36/60/682143660.db2.gz MCYNCSRBVPEHGI-UHFFFAOYSA-N 2 0 292.427 1.455 10 0 CDAERP [NH3+]C[C@]1(c2nc(-c3ccn4c[nH+]cc4c3)no2)CCCOC1 ZINC000872182683 682153611 /nfs/dbraw/zinc/15/36/11/682153611.db2.gz YVPNIBKXCSEJPQ-OAHLLOKOSA-N 2 0 299.334 1.391 10 0 CDAERP COCC[N@H+](CC[C@H]1CCC[NH2+]C1)CC1CC[NH+](C)CC1 ZINC000866673632 682156798 /nfs/dbraw/zinc/15/67/98/682156798.db2.gz YRGPCEIMXYYVDD-MRXNPFEDSA-N 3 0 297.487 1.666 10 0 CDAERP C[NH+](C)C1CCC([NH2+][C@H]2CN3C[C@@H]2CCC3)CC1 ZINC000926608001 682176002 /nfs/dbraw/zinc/17/60/02/682176002.db2.gz YEBVEKBFIHFTLZ-PPWQZUPISA-N 2 0 251.418 1.543 10 0 CDAERP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000713008250 682218940 /nfs/dbraw/zinc/21/89/40/682218940.db2.gz JMANGYHCRPDJMJ-UONOGXRCSA-N 2 0 283.460 1.987 10 0 CDAERP C(COC[C@@H]1CCCO1)[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925498136 682278929 /nfs/dbraw/zinc/27/89/29/682278929.db2.gz MRDILOGLVPPUFY-YESZJQIVSA-N 2 0 296.455 1.940 10 0 CDAERP CC1(C)[C@H]([NH3+])c2ccccc2N1C[C@H]1C[NH2+]CCO1 ZINC000866700847 682304139 /nfs/dbraw/zinc/30/41/39/682304139.db2.gz ABYAQQVXDLBSOD-BXUZGUMPSA-N 2 0 261.369 1.273 10 0 CDAERP CN1c2ccc(C[NH2+]CCC3(C[NH3+])CC3)cc2CCC1=O ZINC000844903776 682380628 /nfs/dbraw/zinc/38/06/28/682380628.db2.gz MZFXUINDHRWYSX-UHFFFAOYSA-N 2 0 287.407 1.814 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1C[C@H]1C1CC1 ZINC000849038009 682383072 /nfs/dbraw/zinc/38/30/72/682383072.db2.gz GZQVGXCMWIZVOZ-IHRRRGAJSA-N 2 0 264.417 1.631 10 0 CDAERP Cn1cnc(CC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925697567 682393228 /nfs/dbraw/zinc/39/32/28/682393228.db2.gz YBRMURMWDZLNLA-HOTGVXAUSA-N 2 0 276.428 1.721 10 0 CDAERP C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)C1CC1 ZINC000925858711 682411250 /nfs/dbraw/zinc/41/12/50/682411250.db2.gz VZFPVHBTYGNTGC-CMPLNLGQSA-N 2 0 252.358 1.060 10 0 CDAERP CC(C)(C)N1CC[C@@H]([NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1=O ZINC000925708178 682439154 /nfs/dbraw/zinc/43/91/54/682439154.db2.gz GKBJHKCWQMWDAD-JHJVBQTASA-N 2 0 281.444 1.881 10 0 CDAERP O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000424022114 682451218 /nfs/dbraw/zinc/45/12/18/682451218.db2.gz CNNOBTHHSPCKLZ-KNCOVGOOSA-N 2 0 277.412 1.262 10 0 CDAERP C[NH+](C)C1CCN(CC[NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)CC1 ZINC000925213639 682497613 /nfs/dbraw/zinc/49/76/13/682497613.db2.gz BBHHXIKSJMQRIX-ZMSDIMECSA-N 2 0 277.456 1.957 10 0 CDAERP CC(=O)Oc1ccc(CN2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000123176140 682499024 /nfs/dbraw/zinc/49/90/24/682499024.db2.gz NGTMQNPTPMBSHL-HNNXBMFYSA-N 2 0 276.380 1.995 10 0 CDAERP O=C1O[C@H](C[NH2+][C@H]2CC[C@@H]2C2CC2)CC12CC[NH2+]CC2 ZINC000925851881 682500485 /nfs/dbraw/zinc/50/04/85/682500485.db2.gz SVZMUGYAFPNIRO-MJBXVCDLSA-N 2 0 278.396 1.450 10 0 CDAERP [NH3+]CCCCCC[N@@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000846223912 682506832 /nfs/dbraw/zinc/50/68/32/682506832.db2.gz QGRNUWAEJMLUGP-UONOGXRCSA-N 2 0 267.417 1.496 10 0 CDAERP [NH3+]Cc1ccc2c(c1)CCCN2C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000852797516 682529703 /nfs/dbraw/zinc/52/97/03/682529703.db2.gz VILRQISNRZHBPS-JOCQHMNTSA-N 2 0 259.353 1.162 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]CC[C@@H]1CCOC1 ZINC000668475381 682572323 /nfs/dbraw/zinc/57/23/23/682572323.db2.gz PRRKJTPUKZTPGV-LSDHHAIUSA-N 2 0 271.449 1.275 10 0 CDAERP Cn1cnc(C[NH2+]C2CCC(C)([NH+](C)C)CC2)c1 ZINC000715518069 682645192 /nfs/dbraw/zinc/64/51/92/682645192.db2.gz JFRURFVKFWYNCI-UHFFFAOYSA-N 2 0 250.390 1.773 10 0 CDAERP CCOCC[C@H](O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000923327705 682674959 /nfs/dbraw/zinc/67/49/59/682674959.db2.gz HOJHNRVXYWXUSK-ILXRZTDVSA-N 2 0 270.417 1.238 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]CC2(CF)CCOCC2)C12CCC2 ZINC000925683579 682680842 /nfs/dbraw/zinc/68/08/42/682680842.db2.gz SRNVWKATDRILML-VXGBXAGGSA-N 2 0 256.365 1.612 10 0 CDAERP CO[C@H](C[NH+]1CCC(O)(C[NH+](C)C)CC1)C1CCCCC1 ZINC000931480273 682700812 /nfs/dbraw/zinc/70/08/12/682700812.db2.gz RVIYVZUQQVJYNP-MRXNPFEDSA-N 2 0 298.471 1.970 10 0 CDAERP OC[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)[C@H]1CCOC1 ZINC000925658720 682707994 /nfs/dbraw/zinc/70/79/94/682707994.db2.gz ZDHLYSNZFBGUBV-LUKYLMHMSA-N 2 0 296.455 1.389 10 0 CDAERP C(CC[NH2+]C1CCN(C2CC2)CC1)CCN1CC[NH2+]CC1 ZINC000925842319 682710980 /nfs/dbraw/zinc/71/09/80/682710980.db2.gz LOBWFSYZSUGBMV-UHFFFAOYSA-N 2 0 294.487 1.278 10 0 CDAERP COC(=O)N(C)CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000850548314 682713328 /nfs/dbraw/zinc/71/33/28/682713328.db2.gz OCLRWDIWMFTCOG-UPJWGTAASA-N 2 0 269.389 1.147 10 0 CDAERP C[C@@H]1COC[C@@H](C)C1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000924966460 682713682 /nfs/dbraw/zinc/71/36/82/682713682.db2.gz OFVRMNPTPGKQQG-HUUCEWRRSA-N 2 0 283.460 1.275 10 0 CDAERP COC(=O)c1cccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923499536 682716363 /nfs/dbraw/zinc/71/63/63/682716363.db2.gz SFBQMKSOVKNOKI-WFASDCNBSA-N 2 0 276.380 1.890 10 0 CDAERP CCOc1ccc(C[N@H+](C)C[C@@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC000923297867 682724916 /nfs/dbraw/zinc/72/49/16/682724916.db2.gz FVMGETUSEPMWOC-INIZCTEOSA-N 2 0 290.407 1.896 10 0 CDAERP COc1ccc([C@@H](C)[NH2+]CCN2CCC([NH3+])CC2)cc1 ZINC000925808173 682742680 /nfs/dbraw/zinc/74/26/80/682742680.db2.gz AKEMPIWCIRDUGH-CYBMUJFWSA-N 2 0 277.412 1.769 10 0 CDAERP COC1CC(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)C1 ZINC000703882854 682790979 /nfs/dbraw/zinc/79/09/79/682790979.db2.gz NVPZPPAIKSERCG-RUJICJSRSA-N 2 0 280.334 1.871 10 0 CDAERP CC[C@H](C[C@@](C)(O)CC)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000924966327 682796049 /nfs/dbraw/zinc/79/60/49/682796049.db2.gz SAPBZRSIVFPSAP-OAGGEKHMSA-N 2 0 285.476 1.542 10 0 CDAERP C[C@H]1COC[C@H](C)C1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000924657106 682828238 /nfs/dbraw/zinc/82/82/38/682828238.db2.gz FPOQQZSVSWREAN-GJZGRUSLSA-N 2 0 283.460 1.275 10 0 CDAERP C[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1cccc3c1CCOC3)C2 ZINC000872154699 682831000 /nfs/dbraw/zinc/83/10/00/682831000.db2.gz WMWQJUOQXHFVNQ-DOTOQJQBSA-N 2 0 272.392 1.801 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@@H]1CCCN2CCSC[C@@H]12)[NH+](C)C ZINC000928101982 682841686 /nfs/dbraw/zinc/84/16/86/682841686.db2.gz FWBXWNBKEGERBQ-RDBSUJKOSA-N 2 0 299.484 1.269 10 0 CDAERP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@@H](O)C2(O)CCC2)cc1 ZINC000930117669 682841781 /nfs/dbraw/zinc/84/17/81/682841781.db2.gz UAQKOZPUPMVURZ-MRXNPFEDSA-N 2 0 292.423 1.456 10 0 CDAERP Cc1ncsc1C[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923322915 683068978 /nfs/dbraw/zinc/06/89/78/683068978.db2.gz CBXFUNGSESZNSK-NSHDSACASA-N 2 0 267.398 1.262 10 0 CDAERP C[C@@H]1C[N@H+](C[C@H]2COc3ccccc3O2)C[C@@H]1C[NH3+] ZINC000708858567 683070640 /nfs/dbraw/zinc/07/06/40/683070640.db2.gz RFFUWSGHUGWMCA-AGIUHOORSA-N 2 0 262.353 1.353 10 0 CDAERP C[NH+]1CCC(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925497625 683076586 /nfs/dbraw/zinc/07/65/86/683076586.db2.gz XKLJJGFYRUGBIZ-KBPBESRZSA-N 3 0 253.434 1.824 10 0 CDAERP C[C@H]1[C@H]2CC[C@@H](C[C@H]1NC1C[C@H]3CC[C@@H](C1)[N@H+]3C)[NH2+]2 ZINC000709380739 683136468 /nfs/dbraw/zinc/13/64/68/683136468.db2.gz DLSMPLUCDBQRAF-YHXDPIOISA-N 2 0 263.429 1.730 10 0 CDAERP Cn1cncc1C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866707406 683151089 /nfs/dbraw/zinc/15/10/89/683151089.db2.gz NWXUDEGFCLQSLX-AWEZNQCLSA-N 2 0 250.390 1.617 10 0 CDAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCCOC(F)(F)F)C[C@@H]12 ZINC000713408373 683171305 /nfs/dbraw/zinc/17/13/05/683171305.db2.gz ZJGYMXRRJDSVDD-IVZWLZJFSA-N 2 0 252.280 1.582 10 0 CDAERP CC1([NH+]2CCC2)CC[NH+](C[C@]2(O)CCCOC2)CC1 ZINC000880475190 683186603 /nfs/dbraw/zinc/18/66/03/683186603.db2.gz SDOLIHFHZKXWPL-OAHLLOKOSA-N 2 0 268.401 1.088 10 0 CDAERP CC1(C)C[C@@H](C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)C(C)(C)O1 ZINC000709704062 683212527 /nfs/dbraw/zinc/21/25/27/683212527.db2.gz XDWMQXFKPDGOIV-AGIUHOORSA-N 2 0 252.402 1.874 10 0 CDAERP C[NH2+]C[C@@](C)(O)C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923507923 683230730 /nfs/dbraw/zinc/23/07/30/683230730.db2.gz RGXZUNVQGZZRQW-GOEBONIOSA-N 3 0 283.460 1.059 10 0 CDAERP COC(=O)[C@@H]1CCCC[C@@H]1C[NH+]1CCC([NH+](C)C)CC1 ZINC000929263894 683245832 /nfs/dbraw/zinc/24/58/32/683245832.db2.gz OULLQDARHQFVEJ-UKRRQHHQSA-N 2 0 282.428 1.992 10 0 CDAERP Cc1nc(F)ccc1C[NH2+]CCOCC[NH+](C)C ZINC000785512525 683315162 /nfs/dbraw/zinc/31/51/62/683315162.db2.gz BBMXCJSHKZRMDR-UHFFFAOYSA-N 2 0 255.337 1.197 10 0 CDAERP CN(C(=O)CCC12CC(C1)C[NH2+]2)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000870922570 683312039 /nfs/dbraw/zinc/31/20/39/683312039.db2.gz IYELRQMIXKRMOI-UGWHAMFMSA-N 2 0 277.412 1.214 10 0 CDAERP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000854229734 683312614 /nfs/dbraw/zinc/31/26/14/683312614.db2.gz VQVBLNUKZNHZBG-OFTGVCEQSA-N 2 0 290.354 1.143 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)[C@@H](C)C1 ZINC000926942058 683318342 /nfs/dbraw/zinc/31/83/42/683318342.db2.gz MIMMMRDGNHHWLH-ARKGTOAJSA-N 2 0 264.413 1.897 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000844655330 683353936 /nfs/dbraw/zinc/35/39/36/683353936.db2.gz VNFOVJQNKVJYED-UHFFFAOYSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)C[C@@H]1CN(C(=O)C2(C)CCCC2)C[C@H]1C[NH+](C)C ZINC000870022822 683357502 /nfs/dbraw/zinc/35/75/02/683357502.db2.gz ZZUHJYOAOLOQOV-HUUCEWRRSA-N 2 0 295.471 1.765 10 0 CDAERP C[N@@H+]1C[C@@]2(C)CN(C[C@@](C)(O)C(F)F)C[C@@]2(C)C1 ZINC000931315913 683369944 /nfs/dbraw/zinc/36/99/44/683369944.db2.gz DLWMNLCYVSXLLI-FRRDWIJNSA-N 2 0 262.344 1.276 10 0 CDAERP CS(=O)(=O)CC1(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)CCC1 ZINC000925696084 683370018 /nfs/dbraw/zinc/37/00/18/683370018.db2.gz ZHFRQFPHFVZYPI-VXGBXAGGSA-N 2 0 286.441 1.061 10 0 CDAERP CC1(C)C[C@@H]([NH2+]CCC2CC[NH2+]CC2)C[C@@H]([NH3+])C1 ZINC000925702271 683370804 /nfs/dbraw/zinc/37/08/04/683370804.db2.gz MNFKCOYNRFSRBQ-KGLIPLIRSA-N 3 0 253.434 1.872 10 0 CDAERP COC(=O)C1=CC[C@@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000858469886 683383995 /nfs/dbraw/zinc/38/39/95/683383995.db2.gz BKWYDLUGZPZOCO-OLZOCXBDSA-N 2 0 266.385 1.711 10 0 CDAERP CC[NH+](CC)CCNC(=O)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000715364954 683426634 /nfs/dbraw/zinc/42/66/34/683426634.db2.gz HBTSTKZDCNHISP-UKRRQHHQSA-N 2 0 267.417 1.224 10 0 CDAERP Cc1cccc(C[C@H](CO)[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925644612 683456821 /nfs/dbraw/zinc/45/68/21/683456821.db2.gz KKRWDDDWMYTEQJ-BZUAXINKSA-N 2 0 274.408 1.758 10 0 CDAERP NC(=O)c1ccc(CC[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000866664701 683458292 /nfs/dbraw/zinc/45/82/92/683458292.db2.gz KGDBLBXZTOZHTM-CQSZACIVSA-N 2 0 275.396 1.389 10 0 CDAERP COC[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)C1CCOCC1 ZINC000925776869 683490358 /nfs/dbraw/zinc/49/03/58/683490358.db2.gz NCEWVWJNWNXZFX-STQMWFEESA-N 2 0 292.370 1.262 10 0 CDAERP CO[C@]1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CCSC1 ZINC000719229540 683520069 /nfs/dbraw/zinc/52/00/69/683520069.db2.gz PJALHRHIPJLYGA-IHRRRGAJSA-N 2 0 270.442 1.725 10 0 CDAERP C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1(C(N)=O)CCCC1 ZINC000923371759 683555954 /nfs/dbraw/zinc/55/59/54/683555954.db2.gz UCHZZJXEBYBDSP-AGUYFDCRSA-N 2 0 279.428 1.637 10 0 CDAERP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925882833 683589910 /nfs/dbraw/zinc/58/99/10/683589910.db2.gz VHLWOTRXOMOFKH-VQHPVUNQSA-N 3 0 285.435 1.905 10 0 CDAERP CO[C@@H]1CC[C@@H]([N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000852762354 683624114 /nfs/dbraw/zinc/62/41/14/683624114.db2.gz KUYXUELLPKKFRU-RBSFLKMASA-N 2 0 270.417 1.597 10 0 CDAERP CCN1CCC([NH2+][C@H]2CC(=O)N(CC3CC3)C2)CC1 ZINC000716740463 683666908 /nfs/dbraw/zinc/66/69/08/683666908.db2.gz FBDDPWYYOKILIW-AWEZNQCLSA-N 2 0 265.401 1.071 10 0 CDAERP CCc1noc([C@H](C)[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)n1 ZINC000923502231 683679693 /nfs/dbraw/zinc/67/96/93/683679693.db2.gz YFRDMJJQHCPEBR-DCAQKATOSA-N 2 0 252.362 1.610 10 0 CDAERP Cn1cc(CN[C@@H]2CCC[C@@H]([NH3+])C2)c(Br)n1 ZINC000720638674 683698385 /nfs/dbraw/zinc/69/83/85/683698385.db2.gz ABLVMPSYWZECNF-NXEZZACHSA-N 2 0 287.205 1.542 10 0 CDAERP C[N@H+](CCCCCC[NH3+])C[C@@H]1CCc2ncnn21 ZINC000872157440 683716028 /nfs/dbraw/zinc/71/60/28/683716028.db2.gz ONYKBSHJDRKSGF-LBPRGKRZSA-N 2 0 251.378 1.216 10 0 CDAERP C[C@]12C[NH2+]C[C@H]1CN([C@@H]1CCCN(c3ccccc3)C1=O)C2 ZINC000872153659 683733901 /nfs/dbraw/zinc/73/39/01/683733901.db2.gz MUQWHVDDRRUOAM-YXJHDRRASA-N 2 0 299.418 1.723 10 0 CDAERP CCOCCOCC[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000931467130 683744671 /nfs/dbraw/zinc/74/46/71/683744671.db2.gz HTCDCZQQEDBAIF-UHFFFAOYSA-N 2 0 284.444 1.847 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923326822 683760490 /nfs/dbraw/zinc/76/04/90/683760490.db2.gz NKGRJTXKBKLFLE-LSDHHAIUSA-N 3 0 281.444 1.029 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](CCN2CCCC2=O)C1 ZINC000866706144 683774833 /nfs/dbraw/zinc/77/48/33/683774833.db2.gz MTZLOXOHSNTWGR-OAHLLOKOSA-N 2 0 267.417 1.306 10 0 CDAERP C[NH+](C)C1CC([NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)C1 ZINC000723651444 683807310 /nfs/dbraw/zinc/80/73/10/683807310.db2.gz NNFWVZFPDUBMLI-SFHDSZBYSA-N 2 0 252.402 1.874 10 0 CDAERP CC(C)C[C@@H]([NH3+])Cc1nc([C@H]2CN3CCC[C@@H]3CO2)no1 ZINC000132429864 683808427 /nfs/dbraw/zinc/80/84/27/683808427.db2.gz PUESZFHUXCWZBI-JHJVBQTASA-N 2 0 294.399 1.521 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1SCCS1 ZINC000926723005 683833538 /nfs/dbraw/zinc/83/35/38/683833538.db2.gz HRRVXPGMNAMFHO-DHHPTOIESA-N 2 0 258.456 1.722 10 0 CDAERP [NH3+]C1CC(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000703440455 683817513 /nfs/dbraw/zinc/81/75/13/683817513.db2.gz WRWXGBAWGSKKKQ-GPANFISMSA-N 2 0 287.407 1.505 10 0 CDAERP CC(C)C[C@@H](C)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870019630 683830744 /nfs/dbraw/zinc/83/07/44/683830744.db2.gz LDHDVXULSBDYGJ-BZUAXINKSA-N 2 0 297.487 1.866 10 0 CDAERP COc1ccccc1OCC[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000227768635 683843529 /nfs/dbraw/zinc/84/35/29/683843529.db2.gz QTQZTNPUZNQWCX-KBPBESRZSA-N 2 0 278.396 1.991 10 0 CDAERP COCC1CC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000714005098 683872613 /nfs/dbraw/zinc/87/26/13/683872613.db2.gz GXYJYFPPPBLJNH-MMCPYJTDSA-N 2 0 252.402 1.922 10 0 CDAERP C[N@H+](CCCCCC[NH3+])CC1CCS(=O)(=O)CC1 ZINC000710820224 683875379 /nfs/dbraw/zinc/87/53/79/683875379.db2.gz VHFIJWUUDGDWNZ-UHFFFAOYSA-N 2 0 276.446 1.262 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000353687188 683875892 /nfs/dbraw/zinc/87/58/92/683875892.db2.gz LZVSMHWADVVIGX-CQSZACIVSA-N 2 0 280.416 1.735 10 0 CDAERP [NH3+][C@H]1CC[C@H](C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)CC1 ZINC000870852719 683881514 /nfs/dbraw/zinc/88/15/14/683881514.db2.gz LOELVWRGTXROKT-ZQDZILKHSA-N 2 0 279.428 1.495 10 0 CDAERP C[C@H]1[C@H](NC(=O)C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)CCC[C@@H]1C ZINC000923509973 683899257 /nfs/dbraw/zinc/89/92/57/683899257.db2.gz RNMXJXXRTMEWBF-CQJMVSDSSA-N 2 0 295.471 1.844 10 0 CDAERP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@@H](O)C2CC2)C1 ZINC000838861887 683903620 /nfs/dbraw/zinc/90/36/20/683903620.db2.gz AHKLKIPJPJHSBW-LSDHHAIUSA-N 2 0 270.417 1.190 10 0 CDAERP COCCCN(C)CC[NH2+][C@H](C1CCC1)[C@H]1CCOC1 ZINC000925144801 683904452 /nfs/dbraw/zinc/90/44/52/683904452.db2.gz QNLWGBVIOQKANZ-JKSUJKDBSA-N 2 0 284.444 1.750 10 0 CDAERP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc2c(c1)OCCO2 ZINC000925790045 683935306 /nfs/dbraw/zinc/93/53/06/683935306.db2.gz FLYBMEGKYIGODX-BZPMIXESSA-N 2 0 276.380 1.964 10 0 CDAERP CC[C@@H](COC)[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925809310 683980621 /nfs/dbraw/zinc/98/06/21/683980621.db2.gz QAMLYXKOAQTWEA-KRWDZBQOSA-N 2 0 291.439 1.606 10 0 CDAERP CN(C(=O)[C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000870923097 683986388 /nfs/dbraw/zinc/98/63/88/683986388.db2.gz XSFSVKONUDMTDV-YRGRVCCFSA-N 2 0 265.401 1.199 10 0 CDAERP O=C1CCC2=C(CC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)N1 ZINC000852753741 684022972 /nfs/dbraw/zinc/02/29/72/684022972.db2.gz HLMSPGUKBHUWIT-LBPRGKRZSA-N 2 0 263.385 1.246 10 0 CDAERP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000923414295 684048395 /nfs/dbraw/zinc/04/83/95/684048395.db2.gz LDFTVERBLFOTHQ-UPJWGTAASA-N 2 0 268.426 1.050 10 0 CDAERP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1NC1CC[NH+](C3CC3)CC1)[NH2+]2 ZINC000709473927 684063103 /nfs/dbraw/zinc/06/31/03/684063103.db2.gz HDPUSPJAUGAJFN-JMGFVUJMSA-N 2 0 263.429 1.732 10 0 CDAERP CC1(C)[C@H]([NH3+])c2ccccc2N1C(=O)CC[NH2+]C1CC1 ZINC000867987315 684078598 /nfs/dbraw/zinc/07/85/98/684078598.db2.gz KMUMYDTZIOACJD-OAHLLOKOSA-N 2 0 273.380 1.954 10 0 CDAERP CC1(C)[C@H](N[C@@H]2CCC[NH2+]CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925700295 684087405 /nfs/dbraw/zinc/08/74/05/684087405.db2.gz OZQIKMWGKAKZNN-YIYPIFLZSA-N 2 0 251.418 1.495 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)C[C@@H]1CCC(C)(C)CO1 ZINC000713596303 684131914 /nfs/dbraw/zinc/13/19/14/684131914.db2.gz KYPSFZDEKKEMEW-ZDUSSCGKSA-N 2 0 258.406 1.359 10 0 CDAERP CC1([NH3+])CC[NH+](C[C@H]2CC3(CO2)CCOCC3)CC1 ZINC000712624221 684134693 /nfs/dbraw/zinc/13/46/93/684134693.db2.gz LWWNGUZZCHENBY-CYBMUJFWSA-N 2 0 268.401 1.385 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCn2cncc21 ZINC000857989847 684144818 /nfs/dbraw/zinc/14/48/18/684144818.db2.gz QEOJRLAORCBKGD-NWDGAFQWSA-N 2 0 262.357 1.319 10 0 CDAERP C([NH2+]C1CCN(C[C@@H]2C[C@@H]3COC[C@H]3O2)CC1)C1CC1 ZINC000724585703 684145308 /nfs/dbraw/zinc/14/53/08/684145308.db2.gz LGTAXROFSHRPNF-VNQPRFMTSA-N 2 0 280.412 1.254 10 0 CDAERP C[C@@H]([NH3+])C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702112925 684147036 /nfs/dbraw/zinc/14/70/36/684147036.db2.gz OHVGKDKRXJJKAE-UKPHBRMFSA-N 2 0 287.407 1.314 10 0 CDAERP CC(=O)N1CCC([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000925844638 684190062 /nfs/dbraw/zinc/19/00/62/684190062.db2.gz YYAXAJUKCCKNRW-HUUCEWRRSA-N 2 0 265.401 1.119 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N[C@H]1CC[NH2+]C12CCCC2 ZINC000852893173 684213394 /nfs/dbraw/zinc/21/33/94/684213394.db2.gz GEKTZKWSOIPXKR-ZDUSSCGKSA-N 2 0 263.385 1.087 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC[N@@H+]1C ZINC000925321594 684289656 /nfs/dbraw/zinc/28/96/56/684289656.db2.gz NGEDBDSRVDLIJI-ILXRZTDVSA-N 2 0 294.443 1.349 10 0 CDAERP CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001690708769 1158742707 /nfs/dbraw/zinc/74/27/07/1158742707.db2.gz XHCKFVPVSONNFE-MGPQQGTHSA-N 2 0 267.417 1.175 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001266981999 1159060263 /nfs/dbraw/zinc/06/02/63/1159060263.db2.gz VONBSIOCCLZZLI-AWEZNQCLSA-N 2 0 297.443 1.158 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCCF ZINC001266994418 1159073019 /nfs/dbraw/zinc/07/30/19/1159073019.db2.gz NDBSFHFCEGDFCN-STQMWFEESA-N 2 0 273.396 1.315 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001266559513 1158622782 /nfs/dbraw/zinc/62/27/82/1158622782.db2.gz CTPXHOGLAVXQMD-KBPBESRZSA-N 2 0 267.417 1.319 10 0 CDAERP CCC[NH2+]C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001670543529 1158633960 /nfs/dbraw/zinc/63/39/60/1158633960.db2.gz CONOBLWKUHZQAG-JSGCOSHPSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)=CC[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001691170303 1158942831 /nfs/dbraw/zinc/94/28/31/1158942831.db2.gz AYQJGGJRBYSUJK-HNNXBMFYSA-N 2 0 279.428 1.487 10 0 CDAERP CC(C)[NH2+][C@@H]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001691268790 1158986335 /nfs/dbraw/zinc/98/63/35/1158986335.db2.gz ZDDWMBJVTNIATA-UONOGXRCSA-N 2 0 267.417 1.365 10 0 CDAERP CCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001267129387 1159131093 /nfs/dbraw/zinc/13/10/93/1159131093.db2.gz OMDLLNMDCFBVFR-KBPBESRZSA-N 2 0 269.433 1.754 10 0 CDAERP CCCCC[NH2+]CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001691558467 1160699019 /nfs/dbraw/zinc/69/90/19/1160699019.db2.gz KTRIQDNJXHMLLT-UHFFFAOYSA-N 2 0 267.417 1.320 10 0 CDAERP CN(CC[NH2+]CCC1CC1)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001691555797 1160699342 /nfs/dbraw/zinc/69/93/42/1160699342.db2.gz KIWKCPGIPJFUJS-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)[C@H]1CCC[N@H+](CC23CC(C)(C2)OC3)CC1 ZINC001617198161 1165590109 /nfs/dbraw/zinc/59/01/09/1165590109.db2.gz JANBRUFXTTUINJ-NFOMZHRRSA-N 2 0 252.402 1.972 10 0 CDAERP CC[N@@H+]1CCCN(C(=O)[C@H](C)CC[NH+](C)C)[C@H](C)C1 ZINC001629366625 1166134859 /nfs/dbraw/zinc/13/48/59/1166134859.db2.gz ACGLUKKIDTZKSF-ZIAGYGMSSA-N 2 0 269.433 1.517 10 0 CDAERP CC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001640213829 1167006305 /nfs/dbraw/zinc/00/63/05/1167006305.db2.gz MDHLWSDQZJDTJR-UONOGXRCSA-N 2 0 267.417 1.176 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000355953554 1167341110 /nfs/dbraw/zinc/34/11/10/1167341110.db2.gz HVCYLUPKFZGWNQ-KBPBESRZSA-N 2 0 269.433 1.517 10 0 CDAERP CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001565961313 1168205556 /nfs/dbraw/zinc/20/55/56/1168205556.db2.gz RGIGNOSIJYMMAC-ILXRZTDVSA-N 2 0 281.444 1.707 10 0 CDAERP CC/C=C/CC[NH2+]C[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001568203183 1169175626 /nfs/dbraw/zinc/17/56/26/1169175626.db2.gz YSEYEPDBNIWYTL-MBVDDHJVSA-N 2 0 293.455 1.780 10 0 CDAERP C[C@H](F)CC[NH2+]C/C=C\CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001568852119 1169518493 /nfs/dbraw/zinc/51/84/93/1169518493.db2.gz RRPDIHKUVVEMDA-ZOBWKPMTSA-N 2 0 297.418 1.338 10 0 CDAERP CCCCC[N@@H+]1CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001569897255 1170032103 /nfs/dbraw/zinc/03/21/03/1170032103.db2.gz CYDCHRQLKHSXBP-MRXNPFEDSA-N 2 0 299.459 1.071 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CCCOC)CC1 ZINC001570185788 1170104588 /nfs/dbraw/zinc/10/45/88/1170104588.db2.gz RRYKLRSYBQZTEC-OAHLLOKOSA-N 2 0 299.459 1.335 10 0 CDAERP CCC[N@H+](C)CCC(=O)NC1CC(C[NH2+]CC)C1 ZINC001570578535 1170195333 /nfs/dbraw/zinc/19/53/33/1170195333.db2.gz WLWKABGFNSEJHK-UHFFFAOYSA-N 2 0 255.406 1.223 10 0 CDAERP CCCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001571597052 1170487112 /nfs/dbraw/zinc/48/71/12/1170487112.db2.gz FBDILJAWRRKQPK-CABCVRRESA-N 2 0 299.459 1.070 10 0 CDAERP CCCC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC001671251989 1171215997 /nfs/dbraw/zinc/21/59/97/1171215997.db2.gz QYGCNLRMFHZYKO-LSDHHAIUSA-N 2 0 293.455 1.851 10 0 CDAERP CCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001669680862 1173584828 /nfs/dbraw/zinc/58/48/28/1173584828.db2.gz AJRGSSXIKXGCOJ-UONOGXRCSA-N 2 0 269.433 1.754 10 0 CDAERP CC[C@@H](C)C[NH2+]CC[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001672909382 1173808615 /nfs/dbraw/zinc/80/86/15/1173808615.db2.gz FLURIACALLDTFW-CVEARBPZSA-N 2 0 295.471 1.957 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)CC1 ZINC001673407049 1173852793 /nfs/dbraw/zinc/85/27/93/1173852793.db2.gz MKTDWCGMQHBAKW-CYBMUJFWSA-N 2 0 255.406 1.317 10 0 CDAERP CC1CC(C[NH2+][C@H]2C[C@@H](NC(=O)CC[NH+](C)C)C2)C1 ZINC001690355656 1175447072 /nfs/dbraw/zinc/44/70/72/1175447072.db2.gz HTASHZPJTMCCRS-LLZFXZEUSA-N 2 0 267.417 1.221 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001690734447 1175556257 /nfs/dbraw/zinc/55/62/57/1175556257.db2.gz DXVJVYXMPHOMQG-QWHCGFSZSA-N 2 0 273.396 1.124 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001690734445 1175558357 /nfs/dbraw/zinc/55/83/57/1175558357.db2.gz DXVJVYXMPHOMQG-CHWSQXEVSA-N 2 0 273.396 1.124 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001698572499 1175849228 /nfs/dbraw/zinc/84/92/28/1175849228.db2.gz HSLUFYKLFNZRGV-HNNXBMFYSA-N 2 0 283.460 1.907 10 0 CDAERP CCCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001698947886 1175992867 /nfs/dbraw/zinc/99/28/67/1175992867.db2.gz BJSFXKNDBCAEDZ-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP COCC[NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001699256746 1176180591 /nfs/dbraw/zinc/18/05/91/1176180591.db2.gz GTOKIZNVMPITPF-WAYWQWQTSA-N 2 0 297.443 1.159 10 0 CDAERP CC(C)CC[NH2+]C/C=C\CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001699333964 1176247892 /nfs/dbraw/zinc/24/78/92/1176247892.db2.gz CLLYDSSSOYKDCN-FOSCPCJNSA-N 2 0 281.444 1.636 10 0 CDAERP CC(C)[C@@H](C(=O)NC/C=C\C[NH2+]CC1CC1)[NH+]1CCCC1 ZINC001699346386 1176283159 /nfs/dbraw/zinc/28/31/59/1176283159.db2.gz UEXQYMPUVYHMNR-QGZUEGPWSA-N 2 0 293.455 1.779 10 0 CDAERP CC[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001699387938 1176345684 /nfs/dbraw/zinc/34/56/84/1176345684.db2.gz KRDLSKJYDLJHSA-CHWSQXEVSA-N 2 0 255.406 1.221 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001699440689 1176404948 /nfs/dbraw/zinc/40/49/48/1176404948.db2.gz GWZZDKVHGGLVDZ-GXTWGEPZSA-N 2 0 267.417 1.173 10 0 CDAERP CC[C@H](F)C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001699527559 1176462446 /nfs/dbraw/zinc/46/24/46/1176462446.db2.gz ZXCRYFMZLBCPFV-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CCCC1 ZINC001699793942 1176625329 /nfs/dbraw/zinc/62/53/29/1176625329.db2.gz WTCULZTYCVQBJT-KBPBESRZSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1([NH2+]CCCF)CCC1 ZINC001700142806 1176768148 /nfs/dbraw/zinc/76/81/48/1176768148.db2.gz FKFDMGFWZVADMJ-OKILXGFUSA-N 2 0 299.434 1.847 10 0 CDAERP CC[NH2+][C@H](CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001700507040 1176987816 /nfs/dbraw/zinc/98/78/16/1176987816.db2.gz OJQMYFALRNZVOA-UONOGXRCSA-N 2 0 269.433 1.421 10 0 CDAERP CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001700630973 1177045455 /nfs/dbraw/zinc/04/54/55/1177045455.db2.gz JTWLRAGBWCEYIC-QEJZJMRPSA-N 2 0 279.428 1.223 10 0 CDAERP CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001700733453 1177099127 /nfs/dbraw/zinc/09/91/27/1177099127.db2.gz ZFRBIYYHGMJLQB-JSGCOSHPSA-N 2 0 267.417 1.175 10 0 CDAERP CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001700852333 1177164980 /nfs/dbraw/zinc/16/49/80/1177164980.db2.gz VNOHQQIUZYCAQO-CHWSQXEVSA-N 2 0 255.406 1.317 10 0 CDAERP CCC[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001700862442 1177169186 /nfs/dbraw/zinc/16/91/86/1177169186.db2.gz GIGMKIYLVOGUQZ-ZFWWWQNUSA-N 2 0 267.417 1.461 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001713244659 1178449796 /nfs/dbraw/zinc/44/97/96/1178449796.db2.gz SJWJCYFQTVHYFN-CABCVRRESA-N 2 0 283.460 1.811 10 0 CDAERP CCOCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001713390684 1178533298 /nfs/dbraw/zinc/53/32/98/1178533298.db2.gz ZLAMYCNKENKGMW-GJZGRUSLSA-N 2 0 297.443 1.040 10 0 CDAERP CC[C@@H](C(=O)N(C)CC[NH2+]CCC1CCCC1)[NH+](C)C ZINC001713655805 1178698361 /nfs/dbraw/zinc/69/83/61/1178698361.db2.gz SBRYGJMUQGAKOZ-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP COCCC[N@@H+]1CCC[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001714049940 1178946465 /nfs/dbraw/zinc/94/64/65/1178946465.db2.gz ZSKFVJQGSHPSFY-OAHLLOKOSA-N 2 0 299.459 1.191 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC[C@H](C[NH2+]CCC2CC2)C1 ZINC001714087410 1178967357 /nfs/dbraw/zinc/96/73/57/1178967357.db2.gz XZDCFEZRYKTBJH-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP CC/C=C\CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C(C)C ZINC001714179299 1179005081 /nfs/dbraw/zinc/00/50/81/1179005081.db2.gz MTZMMYMVSAXTDI-DBKWNLEQSA-N 2 0 293.455 1.729 10 0 CDAERP C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC1=CCCCC1 ZINC001714499112 1179172051 /nfs/dbraw/zinc/17/20/51/1179172051.db2.gz ILOOUMPGRXTEFC-ZBFHGGJFSA-N 2 0 293.455 1.923 10 0 CDAERP CC/C=C\CC[N@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001714599477 1179253405 /nfs/dbraw/zinc/25/34/05/1179253405.db2.gz ONNFDBQMAHUDRX-IDTUSYRASA-N 2 0 281.444 1.733 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1CC=C(C)C ZINC001714617988 1179270939 /nfs/dbraw/zinc/27/09/39/1179270939.db2.gz JXFASBLFNDYNDE-HNNXBMFYSA-N 2 0 281.444 1.875 10 0 CDAERP CC(C)CC[NH2+]CCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001714718528 1179355591 /nfs/dbraw/zinc/35/55/91/1179355591.db2.gz SYKYVRUFLLPRGP-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@@H](C(=O)N[C@](C)(C[NH2+]CCF)C1CC1)[NH+](C)C ZINC001715114500 1179556502 /nfs/dbraw/zinc/55/65/02/1179556502.db2.gz CHYOCMFMYZDHRP-GXTWGEPZSA-N 2 0 273.396 1.171 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]CCF ZINC001715213759 1179579151 /nfs/dbraw/zinc/57/91/51/1179579151.db2.gz KTDJFTHSWPHHEO-CYBMUJFWSA-N 2 0 273.396 1.268 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CCCC[C@@H]1CC[NH2+]CC1CC1 ZINC001715258204 1179599279 /nfs/dbraw/zinc/59/92/79/1179599279.db2.gz ZPIYUDZYRPMRCQ-MRXNPFEDSA-N 2 0 293.455 1.853 10 0 CDAERP CC[NH2+]C[C@H](C)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001715337695 1179632278 /nfs/dbraw/zinc/63/22/78/1179632278.db2.gz JXDAIIYUZUJHEA-STQMWFEESA-N 2 0 255.406 1.317 10 0 CDAERP CC(C)[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001715468550 1179675575 /nfs/dbraw/zinc/67/55/75/1179675575.db2.gz VIZRSWRUVQJIGX-KBPBESRZSA-N 2 0 269.433 1.563 10 0 CDAERP C[C@H](CC[NH2+]C/C=C\Cl)NC(=O)C1CC[NH+](C)CC1 ZINC001715679495 1179762364 /nfs/dbraw/zinc/76/23/64/1179762364.db2.gz OCQDCRSOYSRDIJ-AUXFESMGSA-N 2 0 287.835 1.565 10 0 CDAERP C[NH+](C)C1(C(=O)NC/C=C/C[NH2+]C/C=C\Cl)CCC1 ZINC001715822696 1179849119 /nfs/dbraw/zinc/84/91/19/1179849119.db2.gz CPEZIQSFZRRKCN-KXIWCOCFSA-N 2 0 285.819 1.485 10 0 CDAERP CC(C)CC[NH2+]C/C=C/CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001715874184 1179889186 /nfs/dbraw/zinc/88/91/86/1179889186.db2.gz OIECDHPVZUXOIH-RGDDUWESSA-N 2 0 281.444 1.636 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC/C=C\C[NH2+]CC1CC1 ZINC001715912326 1179910053 /nfs/dbraw/zinc/91/00/53/1179910053.db2.gz KBFVCRUOXJUBPX-JHZNUDOXSA-N 2 0 279.428 1.531 10 0 CDAERP C[C@H](C[NH2+]CCC(F)(F)F)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001715947928 1179936141 /nfs/dbraw/zinc/93/61/41/1179936141.db2.gz ARULEKPSDCFILI-WDEREUQCSA-N 2 0 295.349 1.375 10 0 CDAERP O=C(NC/C=C/C[NH2+]CC1CCC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001716294969 1180146033 /nfs/dbraw/zinc/14/60/33/1180146033.db2.gz GCDGDJVOBDZFMC-XGBNDESESA-N 2 0 291.439 1.390 10 0 CDAERP C[NH+](C)CC1(C(=O)NC/C=C\C[NH2+]CC2CC2)CC1 ZINC001716334994 1180158817 /nfs/dbraw/zinc/15/88/17/1180158817.db2.gz AUNXSORCGKXSTA-ARJAWSKDSA-N 2 0 265.401 1.000 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]CC[C@@H]1CCCCO1 ZINC001716465980 1180225892 /nfs/dbraw/zinc/22/58/92/1180225892.db2.gz QWFSKPGSYJPSPX-GJZGRUSLSA-N 2 0 299.459 1.380 10 0 CDAERP CN(C(=O)[C@H]1CCCC[N@@H+]1C)[C@H](C[NH2+]CCF)C1CC1 ZINC001717732622 1180815535 /nfs/dbraw/zinc/81/55/35/1180815535.db2.gz PUFWJNAQSYKFAQ-ZIAGYGMSSA-N 2 0 285.407 1.267 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCCC1CCC1 ZINC001717754533 1180831712 /nfs/dbraw/zinc/83/17/12/1180831712.db2.gz OSGXYLKQMCDKFG-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP CCCC[NH2+]C[C@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001723301029 1181534372 /nfs/dbraw/zinc/53/43/72/1181534372.db2.gz OBUZIZHOMCVENQ-HOTGVXAUSA-N 2 0 293.455 1.613 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001723973534 1181627318 /nfs/dbraw/zinc/62/73/18/1181627318.db2.gz OZWWRUOBBZJCAS-ZDUSSCGKSA-N 2 0 255.406 1.175 10 0 CDAERP C[C@@H](CCC[NH2+]CCC1CC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001725413228 1181992085 /nfs/dbraw/zinc/99/20/85/1181992085.db2.gz VIJOITKCNGICSX-AWEZNQCLSA-N 2 0 293.455 1.757 10 0 CDAERP CC(C)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001725517161 1182033654 /nfs/dbraw/zinc/03/36/54/1182033654.db2.gz GENITYPFIGOAGK-OLZOCXBDSA-N 2 0 255.406 1.031 10 0 CDAERP CCCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H]1C ZINC001725607089 1182070493 /nfs/dbraw/zinc/07/04/93/1182070493.db2.gz OYQUKPUARGYXBL-ZIAGYGMSSA-N 2 0 267.417 1.461 10 0 CDAERP CCC[NH2+]C[C@@H](NC(=O)C[N@H+](C)CCC)C(C)(C)C ZINC001725751987 1182121127 /nfs/dbraw/zinc/12/11/27/1182121127.db2.gz JRCZHLWNQWKMDA-CYBMUJFWSA-N 2 0 271.449 1.859 10 0 CDAERP CN(C(=O)CC1CC[NH+](C)CC1)C1CC([NH2+]CCCF)C1 ZINC001725784356 1182130662 /nfs/dbraw/zinc/13/06/62/1182130662.db2.gz DBTMZWGVQZVRIW-UHFFFAOYSA-N 2 0 299.434 1.657 10 0 CDAERP C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)CC1CC1 ZINC001731247241 1182272858 /nfs/dbraw/zinc/27/28/58/1182272858.db2.gz DSLKOPIKBSRDRE-CHWSQXEVSA-N 2 0 276.384 1.361 10 0 CDAERP COCC[N@H+](C)CCCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001731271229 1182286709 /nfs/dbraw/zinc/28/67/09/1182286709.db2.gz LHCYRAJNZHUAMM-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CCCCC[N@@H+]1CC[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001731859443 1182634250 /nfs/dbraw/zinc/63/42/50/1182634250.db2.gz FCSKCGLQZRUCRH-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CCCC[N@@H+]1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001732053206 1182741273 /nfs/dbraw/zinc/74/12/73/1182741273.db2.gz MMOFIYFDJZZLDM-AWEZNQCLSA-N 2 0 269.433 1.566 10 0 CDAERP CCC[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001732783515 1183124019 /nfs/dbraw/zinc/12/40/19/1183124019.db2.gz KBRWUNXFXUBJOP-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CCN(CC[NH2+]CC=C(C)C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001732798134 1183129203 /nfs/dbraw/zinc/12/92/03/1183129203.db2.gz RBMNEHUSYPJEEY-HNNXBMFYSA-N 2 0 281.444 1.733 10 0 CDAERP C[C@H](C[NH2+]CCC(C)(C)C)NC(=O)CCC[NH+](C)C ZINC001732968411 1183209727 /nfs/dbraw/zinc/20/97/27/1183209727.db2.gz NNODGSVORQTNPH-CYBMUJFWSA-N 2 0 271.449 1.859 10 0 CDAERP C[C@@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001733022963 1183242935 /nfs/dbraw/zinc/24/29/35/1183242935.db2.gz QGWWCUMRLLLTSV-QWHCGFSZSA-N 2 0 269.433 1.469 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCCF)C1CC1 ZINC001733169704 1183314707 /nfs/dbraw/zinc/31/47/07/1183314707.db2.gz BPSOJDWQXLOADP-CABCVRRESA-N 2 0 299.434 1.703 10 0 CDAERP COCCC[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001733218974 1183347160 /nfs/dbraw/zinc/34/71/60/1183347160.db2.gz ITPRITAHGLZUDN-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)[NH2+][C@H](C)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001734323462 1183731198 /nfs/dbraw/zinc/73/11/98/1183731198.db2.gz QVVGCYWZIWJQAT-TZMCWYRMSA-N 2 0 267.417 1.173 10 0 CDAERP CC[C@@H](F)C[N@H+]1CC=C(CNC(=O)C[NH+](C)C(C)C)CC1 ZINC001734635936 1183855344 /nfs/dbraw/zinc/85/53/44/1183855344.db2.gz BMYVDRSXTJPGRP-OAHLLOKOSA-N 2 0 299.434 1.823 10 0 CDAERP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C[NH3+])cc1 ZINC001771754023 1186859940 /nfs/dbraw/zinc/85/99/40/1186859940.db2.gz CIRVSNNHRZDJCT-GJZGRUSLSA-N 2 0 275.396 1.748 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)C1([NH+](C)C)CCCC1 ZINC001626849516 1165962026 /nfs/dbraw/zinc/96/20/26/1165962026.db2.gz UQFUSYYFGLFGJY-ZDUSSCGKSA-N 2 0 269.433 1.707 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC001635814672 1166626290 /nfs/dbraw/zinc/62/62/90/1166626290.db2.gz MACUFAUIWXBNBZ-DYEKYZERSA-N 2 0 267.417 1.173 10 0 CDAERP CC[N@H+](C)[C@H]1CCN(C(=O)NCC[C@H]2CCC[NH+](C)C2)C1 ZINC001364286837 1167529502 /nfs/dbraw/zinc/52/95/02/1167529502.db2.gz JHTHMFGKPGBXBV-CABCVRRESA-N 2 0 296.459 1.454 10 0 CDAERP CC[C@@H](C)C[NH2+]CC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001568699046 1167540656 /nfs/dbraw/zinc/54/06/56/1167540656.db2.gz LIQUQVPCYHTVGK-ZIAGYGMSSA-N 2 0 281.444 1.613 10 0 CDAERP CCCCCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001567152752 1168046700 /nfs/dbraw/zinc/04/67/00/1168046700.db2.gz AKBHMVRPHFWYJE-CVEARBPZSA-N 2 0 295.471 1.957 10 0 CDAERP CN(CCCNC(=O)CC[NH+](C)C)C/C(Cl)=C/Cl ZINC001566488803 1168305812 /nfs/dbraw/zinc/30/58/12/1168305812.db2.gz HXORUKFVIJPFOS-LUAWRHEFSA-N 2 0 296.242 1.695 10 0 CDAERP CC(C)CCC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001566772061 1168415776 /nfs/dbraw/zinc/41/57/76/1168415776.db2.gz QZHYFFGBAQEDAH-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CCN1C/C=C\Cl ZINC001483657086 912359501 /nfs/dbraw/zinc/35/95/01/912359501.db2.gz BRFBKYDQVDQRGR-GIMLMWNRSA-N 2 0 299.846 1.804 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC1CCCC1 ZINC001567004230 1168499619 /nfs/dbraw/zinc/49/96/19/1168499619.db2.gz HUBZOIODCBKDLV-TZMCWYRMSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)COC1CC[NH+](C)CC1 ZINC001647446041 1168701523 /nfs/dbraw/zinc/70/15/23/1168701523.db2.gz GZBSNMYZVLERFU-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP CCCCC[N@@H+]1CC[C@H](CNC(=O)Cn2ccnc2)C1 ZINC001266551240 895330979 /nfs/dbraw/zinc/33/09/79/895330979.db2.gz NWYSWTCDSSDTDJ-CQSZACIVSA-N 2 0 278.400 1.511 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001266735915 895942878 /nfs/dbraw/zinc/94/28/78/895942878.db2.gz YNAYMJKIBXTQDE-QLFBSQMISA-N 2 0 281.444 1.898 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001418052126 896327033 /nfs/dbraw/zinc/32/70/33/896327033.db2.gz VNXXSVOIILXXIN-GJZGRUSLSA-N 2 0 299.434 1.801 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CC(C)C ZINC001266995542 896517145 /nfs/dbraw/zinc/51/71/45/896517145.db2.gz UYTNYIFSGJKMPF-UONOGXRCSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)OCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001267011851 896549581 /nfs/dbraw/zinc/54/95/81/896549581.db2.gz JRWYBOOGTZCABQ-AWEZNQCLSA-N 2 0 297.443 1.086 10 0 CDAERP CC[C@H](C(=O)N1CC[C@@H](C[NH2+]C/C=C\Cl)C1)[NH+](C)C ZINC001267068134 896677925 /nfs/dbraw/zinc/67/79/25/896677925.db2.gz VYMMCCFDPBTPHM-XEBOPQQMSA-N 2 0 287.835 1.517 10 0 CDAERP CC[N@H+](C)CCC(=O)NCC[NH+](C)CC=C(C)C ZINC001267224590 897212745 /nfs/dbraw/zinc/21/27/45/897212745.db2.gz FZINNLIAUMNIIF-UHFFFAOYSA-N 2 0 255.406 1.342 10 0 CDAERP C[C@@H](O)C[NH2+]CCN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001267394482 897860558 /nfs/dbraw/zinc/86/05/58/897860558.db2.gz IYVGDKJJERDGTL-CYBMUJFWSA-N 2 0 299.459 1.068 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CCC(C)(C)C ZINC001480945852 898061793 /nfs/dbraw/zinc/06/17/93/898061793.db2.gz DMEZQSUEEZAIFN-ZDUSSCGKSA-N 2 0 269.433 1.422 10 0 CDAERP CC[N@H+](CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)CC1CC1 ZINC001481018397 898507454 /nfs/dbraw/zinc/50/74/54/898507454.db2.gz KYUFYXVHDHPDPN-KBPBESRZSA-N 2 0 281.444 1.707 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1cccnc1 ZINC001481057777 898706037 /nfs/dbraw/zinc/70/60/37/898706037.db2.gz YCERHTMQTOSJCP-HNNXBMFYSA-N 2 0 290.411 1.114 10 0 CDAERP CC[C@@H](C[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C(C)C)OC ZINC001481070119 898727493 /nfs/dbraw/zinc/72/74/93/898727493.db2.gz GWJRKHXPQRQCGU-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP C[C@H](F)CC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001481184014 899081071 /nfs/dbraw/zinc/08/10/71/899081071.db2.gz WZWDLNPXGWKFMO-ZDUSSCGKSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)CC[NH2+]C[C@](C)(NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001267864643 899901792 /nfs/dbraw/zinc/90/17/92/899901792.db2.gz HZNYBJJQLOFONE-YOEHRIQHSA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]CCF ZINC001481287493 900108301 /nfs/dbraw/zinc/10/83/01/900108301.db2.gz JPNPPTCMWIOMGP-CYBMUJFWSA-N 2 0 273.396 1.267 10 0 CDAERP CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001268208218 901569215 /nfs/dbraw/zinc/56/92/15/901569215.db2.gz JNNROJNOFMMGAZ-ZIAGYGMSSA-N 2 0 269.433 1.610 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC1C[NH+](Cc2ccccc2)C1 ZINC001481671806 901766958 /nfs/dbraw/zinc/76/69/58/901766958.db2.gz ZNZIFCWQGAAOEW-UHFFFAOYSA-N 2 0 289.423 1.575 10 0 CDAERP C[C@@H]1CC[N@H+](C[C@@H](O)CC2CCCC2)C[C@H]1C[NH3+] ZINC000300072645 901884896 /nfs/dbraw/zinc/88/48/96/901884896.db2.gz SPQTUNCLTDWPDK-YUELXQCFSA-N 2 0 254.418 1.844 10 0 CDAERP CCCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268392039 901982429 /nfs/dbraw/zinc/98/24/29/901982429.db2.gz PGUCDXZUJIVXRQ-QWHCGFSZSA-N 2 0 255.406 1.365 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccsc1 ZINC001268521060 902498683 /nfs/dbraw/zinc/49/86/83/902498683.db2.gz FOCNAJCLZWPPHX-HSWBROFVSA-N 2 0 293.436 1.604 10 0 CDAERP O=C(C[NH+]1CCCC1)NCc1ccc(C[NH2+]CCF)cc1 ZINC001482034997 902516358 /nfs/dbraw/zinc/51/63/58/902516358.db2.gz KBOYFYCXAIUSGP-UHFFFAOYSA-N 2 0 293.386 1.458 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C[NH2+]CCc1ccns1)[NH+](C)C ZINC001268670324 902925671 /nfs/dbraw/zinc/92/56/71/902925671.db2.gz YMHOFCLKJFHLGA-DGCLKSJQSA-N 2 0 298.456 1.120 10 0 CDAERP CN(CCC[NH2+]C/C=C/Cl)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001268784077 903128110 /nfs/dbraw/zinc/12/81/10/903128110.db2.gz QSWKRIKXVSZRJV-NTYUQYKDSA-N 2 0 273.808 1.271 10 0 CDAERP CC[NH+](CC)C[C@@H]1CCN(C(=O)CC[N@@H+]2CC[C@H](F)C2)C1 ZINC001362157083 903269297 /nfs/dbraw/zinc/26/92/97/903269297.db2.gz XPFNJOBHCKCGNH-GJZGRUSLSA-N 2 0 299.434 1.611 10 0 CDAERP CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001269103427 903422273 /nfs/dbraw/zinc/42/22/73/903422273.db2.gz CWOHSBNZAUARLI-KBPBESRZSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)[N@@H+]1CC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001269249957 903607266 /nfs/dbraw/zinc/60/72/66/903607266.db2.gz XOONPGSCQOXMQS-KGLIPLIRSA-N 2 0 267.417 1.460 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001269293480 903661822 /nfs/dbraw/zinc/66/18/22/903661822.db2.gz XVRLKNASLADHES-JSMHICHCSA-N 2 0 281.444 1.873 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CC[NH2+]CCF)C1 ZINC001269712266 904059464 /nfs/dbraw/zinc/05/94/64/904059464.db2.gz OAGQRNOFOFEOSC-KBPBESRZSA-N 2 0 285.407 1.268 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN1C(=O)CC[N@H+](C)CC ZINC001270165104 904409667 /nfs/dbraw/zinc/40/96/67/904409667.db2.gz IHBUOTKLNQSPKE-ZDUSSCGKSA-N 2 0 255.406 1.319 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000061656224 904714352 /nfs/dbraw/zinc/71/43/52/904714352.db2.gz XUKLNYVBIFRIIK-FRRDWIJNSA-N 2 0 253.390 1.057 10 0 CDAERP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000713067185 904941666 /nfs/dbraw/zinc/94/16/66/904941666.db2.gz JQLUNPFBYKCISV-CHWSQXEVSA-N 2 0 269.433 1.549 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001482329911 905081282 /nfs/dbraw/zinc/08/12/82/905081282.db2.gz FWMOAIFKNHPLJY-UONOGXRCSA-N 2 0 269.433 1.421 10 0 CDAERP CC(C)C[C@H](C[NH2+]CCF)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001482383659 905276991 /nfs/dbraw/zinc/27/69/91/905276991.db2.gz ACBDWKFNZBWCRK-CABCVRRESA-N 2 0 299.434 1.418 10 0 CDAERP CC[N@@H+]1CCC[C@@H](CN[C@@H]2CC[NH2+]C23CCCC3)C1 ZINC001354228567 905635256 /nfs/dbraw/zinc/63/52/56/905635256.db2.gz KOEUGHLCCJMMET-LSDHHAIUSA-N 2 0 265.445 1.983 10 0 CDAERP CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]CC(C)C ZINC001423054027 905875018 /nfs/dbraw/zinc/87/50/18/905875018.db2.gz AVOGIUHETMCUHD-LSDHHAIUSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@H]([NH2+]CCCF)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001271551522 906514864 /nfs/dbraw/zinc/51/48/64/906514864.db2.gz RCJCVWRPLLLTIO-KBPBESRZSA-N 2 0 297.418 1.268 10 0 CDAERP CC(C)[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CCCF ZINC001271922993 906982718 /nfs/dbraw/zinc/98/27/18/906982718.db2.gz OVBHWWBYJIJDBS-KBPBESRZSA-N 2 0 287.423 1.418 10 0 CDAERP CCOCC[N@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1CC ZINC001272179061 908681937 /nfs/dbraw/zinc/68/19/37/908681937.db2.gz VVALZAGPPDHDPS-HNNXBMFYSA-N 2 0 299.459 1.288 10 0 CDAERP CC(C)(C(=O)NC/C=C/C[NH2+]C/C=C\Cl)[NH+]1CCCC1 ZINC001483042132 908806394 /nfs/dbraw/zinc/80/63/94/908806394.db2.gz DYSLHBZXUGASLC-UTUPVWNLSA-N 2 0 299.846 1.875 10 0 CDAERP C[NH+]1CCC(C(=O)NC/C=C/C[NH2+]CCC2CC2)CC1 ZINC001483055074 909173029 /nfs/dbraw/zinc/17/30/29/909173029.db2.gz VGLQUXNGFOGGDU-NSCUHMNNSA-N 2 0 279.428 1.390 10 0 CDAERP COCCCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001483161225 909882047 /nfs/dbraw/zinc/88/20/47/909882047.db2.gz ZFVKNTZYBFJNNI-ILXRZTDVSA-N 2 0 299.459 1.238 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001483193096 909949357 /nfs/dbraw/zinc/94/93/57/909949357.db2.gz REGBMWBPYTWSOZ-CYBMUJFWSA-N 2 0 255.406 1.223 10 0 CDAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)Cc1ccccn1 ZINC001409692420 910636896 /nfs/dbraw/zinc/63/68/96/910636896.db2.gz VAXBXPAHCDZNLK-AWEZNQCLSA-N 2 0 290.411 1.114 10 0 CDAERP CCCCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001483241480 910719719 /nfs/dbraw/zinc/71/97/19/910719719.db2.gz ZNVLQHCBZSHFPG-KBPBESRZSA-N 2 0 269.433 1.755 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001483296828 910810340 /nfs/dbraw/zinc/81/03/40/910810340.db2.gz RNHRNIHPWKCCJT-RYUDHWBXSA-N 2 0 261.385 1.169 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]C(C)C ZINC001483475364 911165887 /nfs/dbraw/zinc/16/58/87/911165887.db2.gz SNZWQLSGQBTLMN-HNNXBMFYSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[NH+](C)[C@@H]1C ZINC000922534415 921656590 /nfs/dbraw/zinc/65/65/90/921656590.db2.gz WLNPBGAWNKARCZ-JHJVBQTASA-N 2 0 270.421 1.107 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@H]2CC[C@H]([NH2+]CCCF)CC2)CCC1 ZINC001568105991 1169137611 /nfs/dbraw/zinc/13/76/11/1169137611.db2.gz GRIQTCMGZQJFHW-HDJSIYSDSA-N 2 0 299.434 1.847 10 0 CDAERP CCC/C=C/CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001483791136 915068718 /nfs/dbraw/zinc/06/87/18/915068718.db2.gz QZYFCAHZPCIDLK-LLYBFZRZSA-N 2 0 293.455 1.923 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@H](CC[NH2+]CC)C1 ZINC001484550375 915877731 /nfs/dbraw/zinc/87/77/31/915877731.db2.gz STDHDTZZBVDVRH-ZDUSSCGKSA-N 2 0 255.406 1.176 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](CCC2CC2)CC1 ZINC001484724048 916083327 /nfs/dbraw/zinc/08/33/27/916083327.db2.gz SUYADFAGRNEJEM-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP CCCCC[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001484898288 916251625 /nfs/dbraw/zinc/25/16/25/916251625.db2.gz VQUMQUAJCZSZQR-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP C[N@H+](CC(=O)N1CCC(C)([NH2+]CCCF)CC1)C1CCC1 ZINC001484917394 916256781 /nfs/dbraw/zinc/25/67/81/916256781.db2.gz GEHSAJJYEWTEOT-UHFFFAOYSA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)C[NH2+]CC1CC(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001485110433 916537202 /nfs/dbraw/zinc/53/72/02/916537202.db2.gz IQESHMPVWKIIPT-UHFFFAOYSA-N 2 0 269.433 1.467 10 0 CDAERP C[C@@H](NC(=O)CCC[NH+]1CCCC1)[C@H](C)[NH2+]CC1CC1 ZINC001485231096 916686431 /nfs/dbraw/zinc/68/64/31/916686431.db2.gz ZDNUXAOGAREPNS-UONOGXRCSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@@H](C)C[N@H+](C)[C@@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001485311991 916794651 /nfs/dbraw/zinc/79/46/51/916794651.db2.gz GKANXBIBDUSFKZ-KGLIPLIRSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[C@@H](C(=O)NC[C@H](C)[N@H+](C)CC1CC1)[NH+]1CCCC1 ZINC001485388666 916940084 /nfs/dbraw/zinc/94/00/84/916940084.db2.gz OOEPAQRIMFXMGN-HOCLYGCPSA-N 2 0 295.471 1.953 10 0 CDAERP CC[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)CC1CCCC1 ZINC001366640837 917841772 /nfs/dbraw/zinc/84/17/72/917841772.db2.gz XHKGAAVMMKFKNI-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC([NH2+]C2CCOCC2)C1 ZINC001413581312 936616422 /nfs/dbraw/zinc/61/64/22/936616422.db2.gz KBMSPGZWFYWVJE-GFCCVEGCSA-N 2 0 297.443 1.133 10 0 CDAERP CCCC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC001486092720 920691123 /nfs/dbraw/zinc/69/11/23/920691123.db2.gz GWICZNGJKARYNU-ZIAGYGMSSA-N 2 0 279.428 1.461 10 0 CDAERP CCC[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001486145489 920751871 /nfs/dbraw/zinc/75/18/71/920751871.db2.gz FREJORVXSLOIII-NVXWUHKLSA-N 2 0 293.455 1.994 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)[C@@H](C)CC[NH+](C)C)CC1 ZINC001140844701 936763851 /nfs/dbraw/zinc/76/38/51/936763851.db2.gz KZHTVZQXUWFYLA-KBPBESRZSA-N 2 0 269.433 1.517 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001490927883 936832124 /nfs/dbraw/zinc/83/21/24/936832124.db2.gz FAMQSPZPCIEOCD-KKUMJFAQSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001490958264 936835339 /nfs/dbraw/zinc/83/53/39/936835339.db2.gz TWWQOLXHGXQFSU-KKUMJFAQSA-N 2 0 299.434 1.847 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@H]1C[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001491047491 936846269 /nfs/dbraw/zinc/84/62/69/936846269.db2.gz JIPIHCORZIJXAE-STNZKUDTSA-N 2 0 273.808 1.318 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001491169873 936868532 /nfs/dbraw/zinc/86/85/32/936868532.db2.gz HDWZCLLHPYNJAI-AWEZNQCLSA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)C[NH2+]CC[C@H](C)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001273182761 923884329 /nfs/dbraw/zinc/88/43/29/923884329.db2.gz DJXPJOPNKQCPKM-CABCVRRESA-N 2 0 299.459 1.095 10 0 CDAERP C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)C1([NH+](C)C)CCCC1 ZINC001141467189 936877926 /nfs/dbraw/zinc/87/79/26/936877926.db2.gz NYKNOGWFWIAAOM-STQMWFEESA-N 2 0 267.417 1.412 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[NH+]([C@@H](C)COC)CC1(C)C ZINC001410031840 924352665 /nfs/dbraw/zinc/35/26/65/924352665.db2.gz YECVTILPJREPFI-KBPBESRZSA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)[NH2+]CC1CC(C)(C)C1)[NH+](C)C ZINC001491495294 936924342 /nfs/dbraw/zinc/92/43/42/936924342.db2.gz MLMVVMSRXWZWFV-GXTWGEPZSA-N 2 0 283.460 1.857 10 0 CDAERP CCC[C@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC001198428496 925421029 /nfs/dbraw/zinc/42/10/29/925421029.db2.gz HFIARWCRIULQPD-AWEZNQCLSA-N 2 0 267.417 1.461 10 0 CDAERP CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)CCO1 ZINC001273269189 925690018 /nfs/dbraw/zinc/69/00/18/925690018.db2.gz XHFBHRGDMKZYNQ-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP C[N@@H+](C/C=C\Cl)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001490280341 927074874 /nfs/dbraw/zinc/07/48/74/927074874.db2.gz XFSQCMNFSCVCCD-GCLPIYDQSA-N 2 0 273.808 1.129 10 0 CDAERP CCC[NH2+]C1CC(N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001411234812 927284703 /nfs/dbraw/zinc/28/47/03/927284703.db2.gz JCWCKFQOGBNESP-SLTAFYQDSA-N 2 0 281.444 1.850 10 0 CDAERP C[C@@H]([NH2+]CC(C)(C)CS(C)(=O)=O)C1CC[NH+](C)CC1 ZINC000692984683 937236915 /nfs/dbraw/zinc/23/69/15/937236915.db2.gz LWYJZOAJEJVBIW-GFCCVEGCSA-N 2 0 290.473 1.377 10 0 CDAERP CC(C)(C)[NH2+]CCC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000690377661 928948144 /nfs/dbraw/zinc/94/81/44/928948144.db2.gz WUYTYUIIQXFODZ-LBPRGKRZSA-N 2 0 269.433 1.754 10 0 CDAERP CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001319069947 931137285 /nfs/dbraw/zinc/13/72/85/931137285.db2.gz RQKXEIDHKACQQO-RBSFLKMASA-N 2 0 281.444 1.707 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC/C=C\C[NH2+]CCF ZINC001274106189 931171135 /nfs/dbraw/zinc/17/11/35/931171135.db2.gz XELJJYFEUUYSDK-XQJDBVBESA-N 2 0 271.380 1.092 10 0 CDAERP CC[C@@H](C(=O)NC/C=C/C[NH2+]C[C@H]1CCCCO1)[NH+](C)C ZINC001274369050 931494765 /nfs/dbraw/zinc/49/47/65/931494765.db2.gz OYAGTHREEDGAAB-CNBITHIKSA-N 2 0 297.443 1.158 10 0 CDAERP CC[NH2+]CCCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001322565494 931707924 /nfs/dbraw/zinc/70/79/24/931707924.db2.gz FFKGWHLTYIBIBT-ZIAGYGMSSA-N 2 0 267.417 1.461 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC001411616497 931918431 /nfs/dbraw/zinc/91/84/31/931918431.db2.gz IXMBHMZQJHEKOM-BBRMVZONSA-N 2 0 293.455 1.850 10 0 CDAERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@H](C)[NH2+]CCF ZINC001447838607 932108248 /nfs/dbraw/zinc/10/82/48/932108248.db2.gz CZTNJQMGZKEEQY-QWHCGFSZSA-N 2 0 287.423 1.703 10 0 CDAERP CCC[NH2+]CC1(NC(=O)[C@@H]2CCC[N@@H+]2C)CCCCC1 ZINC001276188358 932622169 /nfs/dbraw/zinc/62/21/69/932622169.db2.gz IQPYWRVLJVBJAD-AWEZNQCLSA-N 2 0 281.444 1.899 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]([NH3+])C2CCCCC2)C1 ZINC001118384972 937622517 /nfs/dbraw/zinc/62/25/17/937622517.db2.gz PRJVKFWOXPITSH-YUTCNCBUSA-N 2 0 267.417 1.350 10 0 CDAERP CC[C@H](C[C@@](C)(O)CC)[NH2+]C[C@H](C)N1CC[NH+](CC)CC1 ZINC000924672591 932811863 /nfs/dbraw/zinc/81/18/63/932811863.db2.gz UGZQQZPFHNWRJH-BBWFWOEESA-N 2 0 299.503 1.932 10 0 CDAERP C[NH+]1CCC(n2cc(NC(=O)NCCCC[NH3+])cn2)CC1 ZINC001119035428 937689596 /nfs/dbraw/zinc/68/95/96/937689596.db2.gz PYCNUICLEKZDOS-UHFFFAOYSA-N 2 0 294.403 1.010 10 0 CDAERP CCO[C@H](CNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C[NH+](C)C ZINC001413526009 936128685 /nfs/dbraw/zinc/12/86/85/936128685.db2.gz SELRYXQGYKLEDV-RRFJBIMHSA-N 2 0 299.459 1.190 10 0 CDAERP C[N@@H+]1CCC[C@H](CNC(=[NH2+])NC2CCCCC2)C1 ZINC000052048215 936194620 /nfs/dbraw/zinc/19/46/20/936194620.db2.gz AJJFOOKYTXGFIJ-GFCCVEGCSA-N 2 0 252.406 1.775 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1cccnc1)[NH+](C)C ZINC001568679268 1169427908 /nfs/dbraw/zinc/42/79/08/1169427908.db2.gz JRIMRHQZAKNLNS-HIFRSBDPSA-N 2 0 292.427 1.406 10 0 CDAERP CC/C=C/CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001276414189 939696027 /nfs/dbraw/zinc/69/60/27/939696027.db2.gz MAQYYTYPAMCYJJ-QNQFUXMYSA-N 2 0 293.455 1.873 10 0 CDAERP CC/C=C\CC[NH+]1CC([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001276460087 939756060 /nfs/dbraw/zinc/75/60/60/939756060.db2.gz IMTGSFTWHVCOTL-FOSCPCJNSA-N 2 0 293.455 1.875 10 0 CDAERP CC/C=C/CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001276552716 940281986 /nfs/dbraw/zinc/28/19/86/940281986.db2.gz MQERORMSUVJQMZ-SWJNODNISA-N 2 0 293.455 1.921 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@H](C[NH2+]CCCF)C2CC2)CC[N@@H+]1C ZINC001276643917 940590446 /nfs/dbraw/zinc/59/04/46/940590446.db2.gz XYGPOBIOHVZJGG-AEGPPILISA-N 2 0 299.434 1.561 10 0 CDAERP Cc1nn(C)c(C)c1C[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000400373421 940848121 /nfs/dbraw/zinc/84/81/21/940848121.db2.gz UUWXKVRPYHUCLY-SNVBAGLBSA-N 2 0 250.390 1.515 10 0 CDAERP CCN(CC[NH2+]CC(C)C)C(=O)CCc1c[nH]cn1 ZINC001568747533 1169461338 /nfs/dbraw/zinc/46/13/38/1169461338.db2.gz KZJFVEVYAWAGHW-UHFFFAOYSA-N 2 0 266.389 1.436 10 0 CDAERP C[NH+](C)C1(CNC(=O)C2([NH+](C)C)CCCC2)CCCC1 ZINC001362101101 970884319 /nfs/dbraw/zinc/88/43/19/970884319.db2.gz VZMLSLHQOJZDEB-UHFFFAOYSA-N 2 0 281.444 1.851 10 0 CDAERP C[C@H](NC(=O)C1([NH+](C)C)CCCC1)C(C)(C)C[NH+](C)C ZINC001362115098 970895608 /nfs/dbraw/zinc/89/56/08/970895608.db2.gz UTFSBAGHIYDFCG-ZDUSSCGKSA-N 2 0 283.460 1.953 10 0 CDAERP CCN(CC[NH2+]C[C@@H](C)OC)C(=O)C[NH+]1CCC(C)CC1 ZINC001568786243 1169475452 /nfs/dbraw/zinc/47/54/52/1169475452.db2.gz RVVWBRGZDWFRFV-OAHLLOKOSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)[NH2+]CCC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001277343665 942398090 /nfs/dbraw/zinc/39/80/90/942398090.db2.gz WBTUBTXMNRBTCM-UONOGXRCSA-N 2 0 271.449 1.856 10 0 CDAERP C[C@H](NC(=O)C[NH+]1CCC(C)CC1)[C@H](C)[NH2+]CCCF ZINC001282210042 942678577 /nfs/dbraw/zinc/67/85/77/942678577.db2.gz YDLIPECDBXEDET-KBPBESRZSA-N 2 0 287.423 1.561 10 0 CDAERP CC(C)C[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001283102762 942822278 /nfs/dbraw/zinc/82/22/78/942822278.db2.gz YROLUDRTNMDZSC-HDJSIYSDSA-N 2 0 267.417 1.223 10 0 CDAERP C=Cn1cc(C[NH2+]Cc2ccc3c[nH+]cn3c2)cn1 ZINC001474174579 970942567 /nfs/dbraw/zinc/94/25/67/970942567.db2.gz SXTSRJQAAIQOCU-UHFFFAOYSA-N 2 0 253.309 1.921 10 0 CDAERP CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H](CC)[NH+](C)C ZINC001283554490 942932412 /nfs/dbraw/zinc/93/24/12/942932412.db2.gz REVBQPXOCCMFGN-UONOGXRCSA-N 2 0 269.433 1.563 10 0 CDAERP CCCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001283651089 942958988 /nfs/dbraw/zinc/95/89/88/942958988.db2.gz BSGIVMTULCIVPT-KGLIPLIRSA-N 2 0 269.433 1.707 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001284034914 943055934 /nfs/dbraw/zinc/05/59/34/943055934.db2.gz XBQULCJHDSYTIL-GJZGRUSLSA-N 2 0 281.444 1.851 10 0 CDAERP CCCC[NH2+]C1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001284818930 943262333 /nfs/dbraw/zinc/26/23/33/943262333.db2.gz UXFDNZPKSRPVEB-UHFFFAOYSA-N 2 0 267.417 1.461 10 0 CDAERP CCCC[NH+]1CC(N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001277686854 943336403 /nfs/dbraw/zinc/33/64/03/943336403.db2.gz VFSMTEZOCINKEK-UHFFFAOYSA-N 2 0 269.433 1.661 10 0 CDAERP CC(C)[C@H](C(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21)[NH+](C)C ZINC001263995618 944058735 /nfs/dbraw/zinc/05/87/35/944058735.db2.gz HVZYAILNSILCPZ-REWJHTLYSA-N 2 0 267.417 1.029 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001277933932 944108519 /nfs/dbraw/zinc/10/85/19/944108519.db2.gz ZSKDNUPSFKCFMG-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001265303116 944335200 /nfs/dbraw/zinc/33/52/00/944335200.db2.gz BLIOAUSOCCNGQG-MSNYOWOLSA-N 2 0 293.455 1.875 10 0 CDAERP CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001265531250 944418302 /nfs/dbraw/zinc/41/83/02/944418302.db2.gz DOCOQGOGTRWFKT-QLFBSQMISA-N 2 0 281.444 1.898 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCCF)C2)CC[N@@H+]1C ZINC001265540150 944422434 /nfs/dbraw/zinc/42/24/34/944422434.db2.gz HJRKEHCEPYTXKF-RFQIPJPRSA-N 2 0 285.407 1.313 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC=C(C)C)C1 ZINC001265565492 944431503 /nfs/dbraw/zinc/43/15/03/944431503.db2.gz SHRXERHZAYICGK-OKILXGFUSA-N 2 0 267.417 1.531 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001265618952 944449050 /nfs/dbraw/zinc/44/90/50/944449050.db2.gz CYHZZMBVXBWBDD-UONOGXRCSA-N 2 0 267.417 1.319 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+]CCF ZINC001265689749 944471322 /nfs/dbraw/zinc/47/13/22/944471322.db2.gz JNUNYKIBRBGGLG-CYBMUJFWSA-N 2 0 273.396 1.268 10 0 CDAERP COCCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001265705072 944476152 /nfs/dbraw/zinc/47/61/52/944476152.db2.gz DQIBHZJIULGGAX-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001266012886 944628392 /nfs/dbraw/zinc/62/83/92/944628392.db2.gz MNGVOQQHVWEHSJ-CQSZACIVSA-N 2 0 267.417 1.342 10 0 CDAERP C[C@H](F)CC[NH2+]C/C=C\CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001568852115 1169517677 /nfs/dbraw/zinc/51/76/77/1169517677.db2.gz RRPDIHKUVVEMDA-FCKJXPIPSA-N 2 0 297.418 1.338 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001266228751 944771308 /nfs/dbraw/zinc/77/13/08/944771308.db2.gz NLYJLWRUOLNDJF-LSDHHAIUSA-N 2 0 281.444 1.851 10 0 CDAERP [NH3+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC001261493043 946142103 /nfs/dbraw/zinc/14/21/03/946142103.db2.gz HMSMZFHHDDKPCW-XDQVBPFNSA-N 2 0 267.417 1.385 10 0 CDAERP C[NH2+]CCC1CCN(C(=O)[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC001261493137 946142586 /nfs/dbraw/zinc/14/25/86/946142586.db2.gz LJHUHZVWLWVQPB-ZIAGYGMSSA-N 2 0 267.417 1.352 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCCF)C1 ZINC001479298024 971293820 /nfs/dbraw/zinc/29/38/20/971293820.db2.gz HLMXIJHJADOLQV-QLFBSQMISA-N 2 0 299.434 1.705 10 0 CDAERP CCN1CC[C@H]1C(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC001362508890 971353418 /nfs/dbraw/zinc/35/34/18/971353418.db2.gz MUIIVBWOAPSQOD-CABCVRRESA-N 2 0 293.386 1.639 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]CCc1ccc(F)cc1F ZINC001332010170 948620870 /nfs/dbraw/zinc/62/08/70/948620870.db2.gz BAQNEUZDYSFUEF-ZYHUDNBSSA-N 2 0 254.324 1.952 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@H]1CCC[N@@H+](CCCF)C1 ZINC001480269725 971654060 /nfs/dbraw/zinc/65/40/60/971654060.db2.gz NMHLMXWLBJTGOE-CQSZACIVSA-N 2 0 285.407 1.270 10 0 CDAERP CC[C@H](F)C[NH2+][C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001480596203 971799903 /nfs/dbraw/zinc/79/99/03/971799903.db2.gz JGLPLDOMVRKPKH-NEPJUHHUSA-N 2 0 261.385 1.169 10 0 CDAERP CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]CCF)C1)[NH+](CC)CC ZINC001480663191 971829612 /nfs/dbraw/zinc/82/96/12/971829612.db2.gz FWHZERHQAQXUBA-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC001363107475 971893599 /nfs/dbraw/zinc/89/35/99/971893599.db2.gz MHUPKXNJPLILOQ-NVXWUHKLSA-N 2 0 293.455 1.661 10 0 CDAERP C[C@@H](CNC(=O)c1cccc(CC[NH+](C)C)c1)C[NH+](C)C ZINC001363107192 971893826 /nfs/dbraw/zinc/89/38/26/971893826.db2.gz LBAODTABVJXLNB-AWEZNQCLSA-N 2 0 291.439 1.718 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CCC(C)(C)C ZINC001480849082 971913994 /nfs/dbraw/zinc/91/39/94/971913994.db2.gz MKNLCOMUNOMKCV-ZDUSSCGKSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC001291556834 954099854 /nfs/dbraw/zinc/09/98/54/954099854.db2.gz CLJDWQZTPXUVTG-MCIONIFRSA-N 2 0 267.417 1.317 10 0 CDAERP CC[NH+](CC)CC[C@@H](C)NC(=O)N(C)CCC[NH+](C)C ZINC001364350833 954489138 /nfs/dbraw/zinc/48/91/38/954489138.db2.gz LGPWFHJEYVCKJU-CQSZACIVSA-N 2 0 286.464 1.700 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC001295174847 954623175 /nfs/dbraw/zinc/62/31/75/954623175.db2.gz NUWVHYNFRAHYLN-AGIUHOORSA-N 2 0 255.406 1.125 10 0 CDAERP CO[C@@H](C)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001493614086 972089254 /nfs/dbraw/zinc/08/92/54/972089254.db2.gz UBIXFHFSZIVANL-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](CCC(C)(C)C)C[C@@H]2C1 ZINC001421572437 955414277 /nfs/dbraw/zinc/41/42/77/955414277.db2.gz NPKOGIJXBFJHPC-GASCZTMLSA-N 2 0 295.471 1.765 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)C[NH2+]CC1CCCC1)[NH+](C)C ZINC001421716697 955498790 /nfs/dbraw/zinc/49/87/90/955498790.db2.gz IWNIZUNODVGECW-UKRRQHHQSA-N 2 0 283.460 1.859 10 0 CDAERP Cc1nc(C[NH2+]C[C@H](C)CNC(=O)CC[NH+](C)C)cs1 ZINC001421739740 955515624 /nfs/dbraw/zinc/51/56/24/955515624.db2.gz IIUSWDOUGFLDLO-NSHDSACASA-N 2 0 298.456 1.245 10 0 CDAERP CC(C)[NH2+]CC1(NC(=O)[C@@H]2CCCC[N@@H+]2C)CCOCC1 ZINC001422014948 955703182 /nfs/dbraw/zinc/70/31/82/955703182.db2.gz RHSOARQPJAOCHA-AWEZNQCLSA-N 2 0 297.443 1.134 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@H]1C[N@H+](C)CCCF)[NH+](C)C ZINC001422228188 955867854 /nfs/dbraw/zinc/86/78/54/955867854.db2.gz LLYXDBGKUQJLLM-UONOGXRCSA-N 2 0 287.423 1.609 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)CN1CCC[C@H]1Cc1ccnn1C ZINC001365345581 955934947 /nfs/dbraw/zinc/93/49/47/955934947.db2.gz CRVXCXRNUOJXOC-HOTGVXAUSA-N 2 0 294.443 1.128 10 0 CDAERP CCOCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001329516702 955963287 /nfs/dbraw/zinc/96/32/87/955963287.db2.gz SDGPRWMHAMSBGQ-ZNMIVQPWSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)=CC[NH+](C)[C@@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001329624150 956027684 /nfs/dbraw/zinc/02/76/84/956027684.db2.gz PBZFJGXENIUCAF-AWEZNQCLSA-N 2 0 269.433 1.729 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@H]2CCC[NH+]2C)C1 ZINC001363418168 972152803 /nfs/dbraw/zinc/15/28/03/972152803.db2.gz FMENAJJRBLLJFE-HUUCEWRRSA-N 2 0 281.444 1.659 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC[C@H]([NH+](C)CC)C1 ZINC001365641035 956257296 /nfs/dbraw/zinc/25/72/96/956257296.db2.gz QUASBJRNCPDCNL-GJZGRUSLSA-N 2 0 298.475 1.842 10 0 CDAERP CCC[NH+]1CC([C@H](C)NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001422757134 956311085 /nfs/dbraw/zinc/31/10/85/956311085.db2.gz ZJIDBVGMLXQNKM-DZGCQCFKSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCC[NH+](C)C ZINC001365789640 956365973 /nfs/dbraw/zinc/36/59/73/956365973.db2.gz JPKCGFOGMJEHGX-OAHLLOKOSA-N 2 0 283.460 1.907 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001365829151 956390637 /nfs/dbraw/zinc/39/06/37/956390637.db2.gz NSHTUJIMLJWSFE-SOUVJXGZSA-N 2 0 283.460 1.857 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C/C=C\Cl)C1 ZINC001330578230 956494156 /nfs/dbraw/zinc/49/41/56/956494156.db2.gz PWXZBLRKIUJRAZ-KUAMOTCGSA-N 2 0 285.819 1.318 10 0 CDAERP CCC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1CCC)C1CC1 ZINC001366049208 956532756 /nfs/dbraw/zinc/53/27/56/956532756.db2.gz XYYACLJUBLPFTH-LSDHHAIUSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CCC1CC1 ZINC001423146818 956624122 /nfs/dbraw/zinc/62/41/22/956624122.db2.gz JNJXDJYGEWFBPC-UKRRQHHQSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001366397435 956795940 /nfs/dbraw/zinc/79/59/40/956795940.db2.gz DBFREFBFXDFTKR-KBPBESRZSA-N 2 0 299.434 1.514 10 0 CDAERP C[C@@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCC1CC1 ZINC001366467394 956852200 /nfs/dbraw/zinc/85/22/00/956852200.db2.gz DLVVKVMWVWXELJ-DZGCQCFKSA-N 2 0 281.444 1.755 10 0 CDAERP CC[NH2+]C1CC(N(C)C(=O)C[C@H](C)n2ccnc2CC)C1 ZINC001423674188 956930777 /nfs/dbraw/zinc/93/07/77/956930777.db2.gz CVGGRRVLUYFOCI-HSBZDZAISA-N 2 0 292.427 1.996 10 0 CDAERP CC(C)[NH2+][C@H](C)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001329203395 956956968 /nfs/dbraw/zinc/95/69/68/956956968.db2.gz SNVBIBHAESOIEQ-KGLIPLIRSA-N 2 0 269.433 1.754 10 0 CDAERP C[NH+](C)CCC(=O)NCC[N@H+](C)CCCC(C)(C)C ZINC001366557586 956963645 /nfs/dbraw/zinc/96/36/45/956963645.db2.gz JMXXXNGQZIUXET-UHFFFAOYSA-N 2 0 271.449 1.812 10 0 CDAERP CCOCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H]1C ZINC001316791342 957024472 /nfs/dbraw/zinc/02/44/72/957024472.db2.gz JQNXIAWVJCMCOB-QLFBSQMISA-N 2 0 299.459 1.188 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001423954992 957053639 /nfs/dbraw/zinc/05/36/39/957053639.db2.gz UMHQUWJHOQYNGG-LSDHHAIUSA-N 2 0 283.460 1.811 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCC1 ZINC001366681567 957111241 /nfs/dbraw/zinc/11/12/41/957111241.db2.gz VGIGOXVZAKVPCY-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP COCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001316942402 957140707 /nfs/dbraw/zinc/14/07/07/957140707.db2.gz YSYMPTVFLJLXLG-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1([NH2+]CC2CC2)CCC1 ZINC001424209003 957156191 /nfs/dbraw/zinc/15/61/91/957156191.db2.gz AOQTXNWRNYHQDG-OKILXGFUSA-N 2 0 293.455 1.898 10 0 CDAERP C[C@@H](F)CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001424219941 957158838 /nfs/dbraw/zinc/15/88/38/957158838.db2.gz UWYONDLPBGBQGK-OLZOCXBDSA-N 2 0 285.407 1.315 10 0 CDAERP CCOCCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001317059792 957236661 /nfs/dbraw/zinc/23/66/61/957236661.db2.gz PCMCQPJQHGFKHH-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP CCCC[NH+]1CCC(CO)(NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001424656790 957291841 /nfs/dbraw/zinc/29/18/41/957291841.db2.gz HORRIGOSKYKEHV-AWEZNQCLSA-N 2 0 299.459 1.070 10 0 CDAERP CC[C@@H](C(=O)NC1CC(C[NH2+]C(C)C)C1)[NH+](CC)CC ZINC001424743027 957327933 /nfs/dbraw/zinc/32/79/33/957327933.db2.gz TXVSMFHSMPWHLQ-NRXISQOPSA-N 2 0 283.460 2.000 10 0 CDAERP CCCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]1C ZINC001331944608 957353078 /nfs/dbraw/zinc/35/30/78/957353078.db2.gz RZVJYDQFKZLTGM-ZIAGYGMSSA-N 2 0 269.433 1.706 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC[C@H]2CCCO2)C1 ZINC001367040253 957363316 /nfs/dbraw/zinc/36/33/16/957363316.db2.gz YCYKPNHTXDWCPF-HUUCEWRRSA-N 2 0 297.443 1.086 10 0 CDAERP C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)[C@@H](C)[NH2+]CCF ZINC001424834093 957375211 /nfs/dbraw/zinc/37/52/11/957375211.db2.gz PECKXDAAXWJCGT-CHWSQXEVSA-N 2 0 273.396 1.171 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001317310208 957416651 /nfs/dbraw/zinc/41/66/51/957416651.db2.gz HUMSIGQUIJPGML-HNNXBMFYSA-N 2 0 281.444 1.853 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@H]1CCC[C@@H]([NH2+]CCCF)C1 ZINC001317359029 957435965 /nfs/dbraw/zinc/43/59/65/957435965.db2.gz UPVBIMPZIRUWFH-KGLIPLIRSA-N 2 0 287.423 1.705 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)Cc1ccccn1 ZINC001425082657 957465438 /nfs/dbraw/zinc/46/54/38/957465438.db2.gz JTLXWHQKCYNWMN-CQSZACIVSA-N 2 0 292.427 1.358 10 0 CDAERP CCC[NH2+][C@H](CCN(C)C(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001425166661 957478275 /nfs/dbraw/zinc/47/82/75/957478275.db2.gz USFWYCAFUVIPMK-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001317469573 957499124 /nfs/dbraw/zinc/49/91/24/957499124.db2.gz GRQFUWNKOUWOMA-CYBMUJFWSA-N 2 0 255.406 1.176 10 0 CDAERP CC/C=C/CC[N@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001317484041 957504814 /nfs/dbraw/zinc/50/48/14/957504814.db2.gz JKZGCONNUJBHGK-LQYUOIDQSA-N 2 0 281.444 1.875 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1C[C@H](C[NH2+]C(C)C)C1 ZINC001425394843 957525666 /nfs/dbraw/zinc/52/56/66/957525666.db2.gz XKPCKMAAHWFQMG-MGPQQGTHSA-N 2 0 287.423 1.559 10 0 CDAERP CCC[N@H+](CCNC(=O)C[NH+](C)C(C)C)C1CC1 ZINC001317560966 957556332 /nfs/dbraw/zinc/55/63/32/957556332.db2.gz DPPIPSFNKQTLJM-UHFFFAOYSA-N 2 0 255.406 1.317 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CCF ZINC001425582542 957573761 /nfs/dbraw/zinc/57/37/61/957573761.db2.gz UEVXAHFLTHPCNY-DZGCQCFKSA-N 2 0 299.434 1.799 10 0 CDAERP Cc1ncc(C[NH2+][C@@H](C)CN(C)C(=O)CC[NH+](C)C)s1 ZINC001425644213 957590006 /nfs/dbraw/zinc/59/00/06/957590006.db2.gz WRZBDKBMIGMCFA-NSHDSACASA-N 2 0 298.456 1.340 10 0 CDAERP CN(CC[NH2+]C/C=C/Cl)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001317600478 957592506 /nfs/dbraw/zinc/59/25/06/957592506.db2.gz JTSRSDLKHXRFIF-PZBABLGHSA-N 2 0 273.808 1.271 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@@]12CC[N@H+](C1)CCC2)[NH2+]CCC1CC1 ZINC001425669548 957595970 /nfs/dbraw/zinc/59/59/70/957595970.db2.gz OSQUVCXKHICKCD-YOEHRIQHSA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)[C@H](C(=O)N(C)CC[NH2+]C[C@@H]1CCCOC1)[NH+](C)C ZINC001317654117 957625115 /nfs/dbraw/zinc/62/51/15/957625115.db2.gz XYPHLKVAZWVLTG-LSDHHAIUSA-N 2 0 299.459 1.047 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC001494667906 972282768 /nfs/dbraw/zinc/28/27/68/972282768.db2.gz KAKNXGMGIMDRFA-HOTGVXAUSA-N 2 0 287.407 1.423 10 0 CDAERP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CCCCCF)C2)CC[N@@H+]1C ZINC001494709595 972295106 /nfs/dbraw/zinc/29/51/06/972295106.db2.gz UHTOIQVJJXWNSF-QLFBSQMISA-N 2 0 299.434 1.657 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001318253858 957999324 /nfs/dbraw/zinc/99/93/24/957999324.db2.gz YNNFDZGJELXCPV-NTBLUZEKSA-N 2 0 293.455 1.873 10 0 CDAERP CCOCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001318480553 958128289 /nfs/dbraw/zinc/12/82/89/958128289.db2.gz XTOHZLIXEIFIMZ-LSDHHAIUSA-N 2 0 297.443 1.040 10 0 CDAERP Cc1cc(C[NH2+]C[C@@H](C)NC(=O)C[NH+]2CCCC2)cs1 ZINC001367713014 958238243 /nfs/dbraw/zinc/23/82/43/958238243.db2.gz SRETUVRMDVCSCR-GFCCVEGCSA-N 2 0 295.452 1.747 10 0 CDAERP C[C@@](C[NH2+]CCF)(NC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001318731130 958250697 /nfs/dbraw/zinc/25/06/97/958250697.db2.gz YJENIEHEEBDKIU-INIZCTEOSA-N 2 0 299.434 1.706 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C[NH2+]CC(C)C)C2CC2)CC[N@@H+]1C ZINC001367887586 958455854 /nfs/dbraw/zinc/45/58/54/958455854.db2.gz OLWNSGABBKZCDN-HRCADAONSA-N 2 0 295.471 1.857 10 0 CDAERP C[C@H](F)CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001368017828 958578300 /nfs/dbraw/zinc/57/83/00/958578300.db2.gz WUXUIULUBOCDGQ-STQMWFEESA-N 2 0 285.407 1.457 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@@]2(CC[N@H+](CCCF)C2)C1 ZINC001368059117 958605002 /nfs/dbraw/zinc/60/50/02/958605002.db2.gz BCFYIFCLDKICKT-OAHLLOKOSA-N 2 0 285.407 1.222 10 0 CDAERP C[C@@H](C[NH2+]C/C=C/Cl)N(C)C(=O)CCC[NH+](C)C ZINC001319523777 958607013 /nfs/dbraw/zinc/60/70/13/958607013.db2.gz SIISJPNKTBPHKX-WMADIVHISA-N 2 0 275.824 1.517 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CC(C)C ZINC001494980811 972362650 /nfs/dbraw/zinc/36/26/50/972362650.db2.gz HWBGUTBEOCZRMT-CABCVRRESA-N 2 0 281.444 1.469 10 0 CDAERP CC(C)CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001319574923 958636968 /nfs/dbraw/zinc/63/69/68/958636968.db2.gz QGOXIIDYHWTLHW-HUUCEWRRSA-N 2 0 283.460 1.811 10 0 CDAERP C[NH+](C)CCC(=O)NCC1(C)CC[NH+](CCCF)CC1 ZINC001368212190 958703002 /nfs/dbraw/zinc/70/30/02/958703002.db2.gz HXHXGHRNZSJCKG-UHFFFAOYSA-N 2 0 287.423 1.516 10 0 CDAERP CC[C@H](C(=O)NC[C@@]1(C)CCC[N@H+](CCOC)C1)[NH+](C)C ZINC001368221047 958712673 /nfs/dbraw/zinc/71/26/73/958712673.db2.gz YDPAXSFBKYJNQG-GDBMZVCRSA-N 2 0 299.459 1.191 10 0 CDAERP CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001368228280 958716318 /nfs/dbraw/zinc/71/63/18/958716318.db2.gz KTPAXRZBTSOMTE-XJKSGUPXSA-N 2 0 292.427 1.827 10 0 CDAERP CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001319833838 958746333 /nfs/dbraw/zinc/74/63/33/958746333.db2.gz UHOJGVBUPPEKDQ-ZIAGYGMSSA-N 2 0 269.433 1.563 10 0 CDAERP CC[C@H](C(=O)N1CCC(CC)([NH2+]C[C@@H](C)O)CC1)[NH+](C)C ZINC001368597643 958989882 /nfs/dbraw/zinc/98/98/82/958989882.db2.gz HQTOXPJILFYRJR-ZIAGYGMSSA-N 2 0 299.459 1.068 10 0 CDAERP CC[C@@H](C)C[NH2+]CC1(NC(=O)CC[NH+](C)C)CCOCC1 ZINC001368634762 959006922 /nfs/dbraw/zinc/00/69/22/959006922.db2.gz KZUODSKMWFDNAW-CQSZACIVSA-N 2 0 299.459 1.239 10 0 CDAERP C[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]C/C=C/Cl ZINC001368710123 959071418 /nfs/dbraw/zinc/07/14/18/959071418.db2.gz ROIIFYKTCSPAFM-XTPCBIOYSA-N 2 0 273.808 1.318 10 0 CDAERP COCC[NH2+]CC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001320414532 959154627 /nfs/dbraw/zinc/15/46/27/959154627.db2.gz JAGBYCBSTNPQKL-CQSZACIVSA-N 2 0 299.459 1.382 10 0 CDAERP Cc1cc(C[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C)cs1 ZINC001368971832 959345304 /nfs/dbraw/zinc/34/53/04/959345304.db2.gz GDFYUACJLNFZJC-LBPRGKRZSA-N 2 0 297.468 1.945 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC/C=C\C[NH2+]CC2CC2)CC[N@@H+]1C ZINC001321066513 959571715 /nfs/dbraw/zinc/57/17/15/959571715.db2.gz JXKQXPLFSMVUEA-ZYOQUQOHSA-N 2 0 279.428 1.389 10 0 CDAERP C[C@@H](F)CC[NH2+]C/C=C/CNC(=O)C1([NH+](C)C)CCC1 ZINC001321092728 959585572 /nfs/dbraw/zinc/58/55/72/959585572.db2.gz RVGOJLKMOORHRC-MUBLQREKSA-N 2 0 285.407 1.481 10 0 CDAERP Cc1nccn1CCCC(=O)NC/C=C\C[NH2+]C(C)C ZINC001321292850 959701122 /nfs/dbraw/zinc/70/11/22/959701122.db2.gz FWJXABKNPGAZIT-PLNGDYQASA-N 2 0 278.400 1.642 10 0 CDAERP [NH3+]C1(C[NH2+][C@H]2CCC23CCOCC3)CCOCC1 ZINC001335383580 959761879 /nfs/dbraw/zinc/76/18/79/959761879.db2.gz SYJNYLJMSVFSJX-LBPRGKRZSA-N 2 0 254.374 1.043 10 0 CDAERP CC(C)[NH2+]C1CC(N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001369584583 959776460 /nfs/dbraw/zinc/77/64/60/959776460.db2.gz VAAGAHHHWAKKCC-SLTAFYQDSA-N 2 0 281.444 1.848 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@](C)(C[NH2+]CCF)C1CC1 ZINC001495259391 972459620 /nfs/dbraw/zinc/45/96/20/972459620.db2.gz PSWOJDJZEJCRCT-HOCLYGCPSA-N 2 0 299.434 1.705 10 0 CDAERP CC[C@H](C)C[NH+]1CCC2(C[C@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001370083251 959985048 /nfs/dbraw/zinc/98/50/48/959985048.db2.gz BTFZFMMMVGVWPP-LSDHHAIUSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001370397877 960080710 /nfs/dbraw/zinc/08/07/10/960080710.db2.gz UIFSRFKHSPPBQW-HZSPNIEDSA-N 2 0 287.423 1.511 10 0 CDAERP Cc1cnc(C[NH2+]CCCN(C)C(=O)[C@H]2CCC[N@@H+]2C)o1 ZINC001322647816 960285438 /nfs/dbraw/zinc/28/54/38/960285438.db2.gz GFLLJSVQWACIBE-CYBMUJFWSA-N 2 0 294.399 1.015 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC001433711026 960547141 /nfs/dbraw/zinc/54/71/41/960547141.db2.gz BJYSLGOUPCDQNO-LSDHHAIUSA-N 2 0 281.444 1.519 10 0 CDAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001433744278 960574298 /nfs/dbraw/zinc/57/42/98/960574298.db2.gz CAXGATMQGOSWLX-JYJNAYRXSA-N 2 0 295.471 1.907 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001418640875 960841870 /nfs/dbraw/zinc/84/18/70/960841870.db2.gz LXFMIHITTLTEHM-APIJFGDWSA-N 2 0 299.434 1.703 10 0 CDAERP CCN1CC[C@H]1C(=O)N1CC[N@H+](C2CCCC2)[C@H](C)C1 ZINC001434362144 961209141 /nfs/dbraw/zinc/20/91/41/961209141.db2.gz VPQYDJMRUGLGJV-HIFRSBDPSA-N 2 0 279.428 1.556 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001324222693 961241350 /nfs/dbraw/zinc/24/13/50/961241350.db2.gz RHHOEAGUJFXQQI-STQMWFEESA-N 2 0 273.396 1.267 10 0 CDAERP C(C[NH+]1CCCC1)OC1CC[NH+](CC2=NOCC2)CC1 ZINC001434458494 961435584 /nfs/dbraw/zinc/43/55/84/961435584.db2.gz ZJNLPHLISOFTQM-UHFFFAOYSA-N 2 0 281.400 1.340 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001419177407 961469392 /nfs/dbraw/zinc/46/93/92/961469392.db2.gz ZWQZAKNAZWWTDL-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]([NH2+]C/C=C/Cl)C2CC2)C1 ZINC001436825285 962440060 /nfs/dbraw/zinc/44/00/60/962440060.db2.gz HHDPLDCKHKBBBB-NPXAJTFRSA-N 2 0 299.846 1.565 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccsc2)C1 ZINC001436978034 962536722 /nfs/dbraw/zinc/53/67/22/962536722.db2.gz MUYIDXIYNIRHGF-OKILXGFUSA-N 2 0 295.452 1.825 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)CC1CCC1 ZINC001437483468 962945693 /nfs/dbraw/zinc/94/56/93/962945693.db2.gz IKPUUIBEUCNEFD-CVEARBPZSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCC[NH+](C)CC2CCCC2)CC[N@@H+]1C ZINC001437505576 962969933 /nfs/dbraw/zinc/96/99/33/962969933.db2.gz GMFGYNXRCKFXMU-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001437568639 963024181 /nfs/dbraw/zinc/02/41/81/963024181.db2.gz CBCHWADAYRMWFI-OWCLPIDISA-N 2 0 295.471 1.811 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C[N@H+](C)CC1CCOCC1)[NH+](C)C ZINC001420663389 963170132 /nfs/dbraw/zinc/17/01/32/963170132.db2.gz RPHXZBBSFFAZSV-UKRRQHHQSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@H]([NH2+]CCC1CC1)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001437852257 963212563 /nfs/dbraw/zinc/21/25/63/963212563.db2.gz NEVIPEIRQZXWJN-AWEZNQCLSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001438241191 963379060 /nfs/dbraw/zinc/37/90/60/963379060.db2.gz JVGJKWSSLSLIRG-KGLIPLIRSA-N 2 0 287.423 1.609 10 0 CDAERP COC[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001438445315 963450889 /nfs/dbraw/zinc/45/08/89/963450889.db2.gz VYFLONVQIQPPKA-RBSFLKMASA-N 2 0 297.443 1.134 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+]C[C@H]1CCCCO1 ZINC001438547540 963482967 /nfs/dbraw/zinc/48/29/67/963482967.db2.gz FLHAVSFQPQMMAS-HUUCEWRRSA-N 2 0 299.459 1.238 10 0 CDAERP CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001421238970 963513335 /nfs/dbraw/zinc/51/33/35/963513335.db2.gz PUBREHMXEDHGCM-ZBFHGGJFSA-N 2 0 281.444 1.707 10 0 CDAERP CCC[N@@H+]1CC[C@H](N(CC)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001421346958 963562571 /nfs/dbraw/zinc/56/25/71/963562571.db2.gz DIYQJUPUJGYPHW-CABCVRRESA-N 2 0 281.444 1.661 10 0 CDAERP CCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](CCOC(C)C)C1 ZINC001421366267 963572573 /nfs/dbraw/zinc/57/25/73/963572573.db2.gz IXSSMMLNZGDGCZ-HNNXBMFYSA-N 2 0 299.459 1.286 10 0 CDAERP C[C@@H](C[N@H+](C)CC1CCC1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001439322603 963721435 /nfs/dbraw/zinc/72/14/35/963721435.db2.gz FFKYVZARQTWSES-BBRMVZONSA-N 2 0 293.455 1.565 10 0 CDAERP CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001439931100 963898317 /nfs/dbraw/zinc/89/83/17/963898317.db2.gz CDMNRUGQDORXIL-DOTOQJQBSA-N 2 0 293.455 1.566 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001440241509 963952962 /nfs/dbraw/zinc/95/29/62/963952962.db2.gz JPCVIRHZNYNAOV-CHWSQXEVSA-N 2 0 273.396 1.219 10 0 CDAERP C[C@@H](F)CC[NH2+][C@@H]1C[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001440305975 963979622 /nfs/dbraw/zinc/97/96/22/963979622.db2.gz PYBWFIYHVKBOHB-LJISPDSOSA-N 2 0 299.434 1.561 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCF)[C@H](C)C1 ZINC001440654155 964128289 /nfs/dbraw/zinc/12/82/89/964128289.db2.gz TWIRHHHTHJBYDA-OLZOCXBDSA-N 2 0 273.396 1.265 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH+](C)CCC2CC2)CC[N@@H+]1C ZINC001440928153 964270087 /nfs/dbraw/zinc/27/00/87/964270087.db2.gz WBVFPMDUHDYMOY-CWRNSKLLSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CCC1CC1 ZINC001441872465 964762669 /nfs/dbraw/zinc/76/26/69/964762669.db2.gz WAWUSZIFLMNWQX-HIFRSBDPSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@H](C)C[NH2+][C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001442006879 964826998 /nfs/dbraw/zinc/82/69/98/964826998.db2.gz YNXCPOPOIVXYID-KBPBESRZSA-N 2 0 283.460 1.859 10 0 CDAERP CCN(CCC[NH+]1CCCC1)C(=O)[C@H]1CC[N@@H+]1CC ZINC001556236421 965012558 /nfs/dbraw/zinc/01/25/58/965012558.db2.gz HBDPIUHEPCOTQZ-CQSZACIVSA-N 2 0 267.417 1.415 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CCNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001443241374 965407795 /nfs/dbraw/zinc/40/77/95/965407795.db2.gz IJLLRYOJTFCWCO-LSDHHAIUSA-N 2 0 281.444 1.565 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC001443319921 965438837 /nfs/dbraw/zinc/43/88/37/965438837.db2.gz GSDGVPAUWYHYSL-ZIAGYGMSSA-N 2 0 287.423 1.467 10 0 CDAERP CC[C@H](C(=O)NC[C@H](CC)[NH2+]Cc1cnc(C)o1)[NH+](C)C ZINC001443944871 965676916 /nfs/dbraw/zinc/67/69/16/965676916.db2.gz PAIHXPMOSPNTOC-GXTWGEPZSA-N 2 0 296.415 1.308 10 0 CDAERP CC(C)C[C@@H](C)C[NH2+]C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001445480180 966207007 /nfs/dbraw/zinc/20/70/07/966207007.db2.gz IMEWJCXYVDPDLQ-HUUCEWRRSA-N 2 0 295.471 1.859 10 0 CDAERP CO[C@@H](C)C[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001449323276 967432933 /nfs/dbraw/zinc/43/29/33/967432933.db2.gz PESFMUBMMAPMSJ-QWHCGFSZSA-N 2 0 287.448 1.094 10 0 CDAERP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]C/C=C\Cl)C1 ZINC001449410827 967453790 /nfs/dbraw/zinc/45/37/90/967453790.db2.gz LZMQPOWKHMMZJF-BEIBFZRPSA-N 2 0 285.819 1.270 10 0 CDAERP CC[N@@H+]1CCCN(C(=O)CC[NH+]2CC[C@H](F)C2)[C@H](C)C1 ZINC001450979328 967865228 /nfs/dbraw/zinc/86/52/28/967865228.db2.gz QMMWIWTWIIXANV-KGLIPLIRSA-N 2 0 285.407 1.363 10 0 CDAERP COC[C@H]([NH2+]C[C@H]([NH3+])CC(F)F)[C@H]1CCCOC1 ZINC001353945251 968356218 /nfs/dbraw/zinc/35/62/18/968356218.db2.gz ZSMSYUNYVHXKNY-AXFHLTTASA-N 2 0 266.332 1.000 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]CC[C@H]1CCCCO1 ZINC001480595774 970075140 /nfs/dbraw/zinc/07/51/40/970075140.db2.gz DERJDFQOVAEQCA-LSDHHAIUSA-N 2 0 299.459 1.380 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)NCC[NH+]2CCC[C@H](C)C2)C1 ZINC001361801885 970545275 /nfs/dbraw/zinc/54/52/75/970545275.db2.gz FLTCGCGOJALXTA-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@@H+]1C[C@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C(C)(C)C1 ZINC001472057807 970554931 /nfs/dbraw/zinc/55/49/31/970554931.db2.gz DQXYOUZARMLTBR-MCIONIFRSA-N 2 0 281.444 1.706 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)C2CC[NH+](CC(C)C)CC2)C1 ZINC001361836375 970586059 /nfs/dbraw/zinc/58/60/59/970586059.db2.gz XBJKGXPMRNOOJS-OAHLLOKOSA-N 2 0 295.471 1.812 10 0 CDAERP CCN1CC[C@@H]1C(=O)NCc1ccccc1C[NH+](C)C ZINC001361923605 970680291 /nfs/dbraw/zinc/68/02/91/970680291.db2.gz AUUYWZFFQXVLPE-OAHLLOKOSA-N 2 0 275.396 1.459 10 0 CDAERP C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)C[NH2+]C/C=C/Cl ZINC001495696320 972598856 /nfs/dbraw/zinc/59/88/56/972598856.db2.gz LSWWMGFCJMJECB-WXJAXGNASA-N 2 0 299.846 1.709 10 0 CDAERP CCCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001496063043 972783475 /nfs/dbraw/zinc/78/34/75/972783475.db2.gz XVUWQECHCQFBKX-BFHYXJOUSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)[N@@H+]1CC[C@@](C)(NC(=O)CCCC[NH+](C)C)C1 ZINC001569651448 1169952735 /nfs/dbraw/zinc/95/27/35/1169952735.db2.gz RRDJEXXVAHDDQK-OAHLLOKOSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)[C@H](C(=O)N(C)[C@@H](C)C[NH2+]C/C=C/Cl)[NH+](C)C ZINC001496152422 972819029 /nfs/dbraw/zinc/81/90/29/972819029.db2.gz VYMUDOHIIIOLQO-AHYBDNRGSA-N 2 0 289.851 1.762 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001569653775 1169956133 /nfs/dbraw/zinc/95/61/33/1169956133.db2.gz UOAXWYAQBPQCIM-RDTQODSXSA-N 2 0 293.455 1.875 10 0 CDAERP Cc1cnc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)o1 ZINC001497156833 973216227 /nfs/dbraw/zinc/21/62/27/973216227.db2.gz YCJVJXMUDNJOHV-AAEUAGOBSA-N 2 0 294.399 1.062 10 0 CDAERP C[C@@H](CC[NH2+]CC1CC1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001497189107 973236075 /nfs/dbraw/zinc/23/60/75/973236075.db2.gz QWVHUMUQWMCMJM-SWLSCSKDSA-N 2 0 279.428 1.223 10 0 CDAERP CCC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001373043156 973236902 /nfs/dbraw/zinc/23/69/02/973236902.db2.gz WSSYJSTXLNAATP-CVEARBPZSA-N 2 0 289.423 1.938 10 0 CDAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CC[C@@H](F)C1 ZINC001417663582 973256153 /nfs/dbraw/zinc/25/61/53/973256153.db2.gz RHCRADCJCUTKFT-KFWWJZLASA-N 2 0 297.418 1.506 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]C/C=C/Cl)[NH+](C)C ZINC001497269247 973270698 /nfs/dbraw/zinc/27/06/98/973270698.db2.gz XRAQGNIHVXAUOR-BIVWETNQSA-N 2 0 275.824 1.564 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CC[NH2+]Cc1ccns1 ZINC001497332578 973290072 /nfs/dbraw/zinc/29/00/72/973290072.db2.gz PLJFQBLCIUKKEN-GFCCVEGCSA-N 2 0 298.456 1.468 10 0 CDAERP CC[C@H](F)C[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001497651284 973449780 /nfs/dbraw/zinc/44/97/80/973449780.db2.gz WAENSCCPFKHPJH-QITAHTHBSA-N 2 0 271.380 1.091 10 0 CDAERP COCC[N@H+](C)C[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001418027397 973536079 /nfs/dbraw/zinc/53/60/79/973536079.db2.gz ZYZFJLZBVZVYSH-OAHLLOKOSA-N 2 0 299.459 1.143 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001418056350 973559752 /nfs/dbraw/zinc/55/97/52/973559752.db2.gz ARTGCNLMGLELLO-AJNGGQMLSA-N 2 0 299.434 1.844 10 0 CDAERP CC[NH2+]C[C@H]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001418138276 973605840 /nfs/dbraw/zinc/60/58/40/973605840.db2.gz IOCMSZPCWGYWRE-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)[C@H]1CC[N@H+](C)C1 ZINC001418165193 973617748 /nfs/dbraw/zinc/61/77/48/973617748.db2.gz UMSSAFGYADYMNZ-SOUVJXGZSA-N 2 0 281.444 1.659 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CCC(C)(C)C ZINC001418226785 973679695 /nfs/dbraw/zinc/67/96/95/973679695.db2.gz MHEWGVLDGSSSFL-DZGCQCFKSA-N 2 0 295.471 1.859 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccsc1)NC(=O)CC[NH+](C)C ZINC001498109385 973682549 /nfs/dbraw/zinc/68/25/49/973682549.db2.gz MCWNJQQTYUTQPR-NSHDSACASA-N 2 0 269.414 1.294 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001418233811 973685992 /nfs/dbraw/zinc/68/59/92/973685992.db2.gz AZOLYYOWUZDZOM-KBXIAJHMSA-N 2 0 281.444 1.563 10 0 CDAERP CC(C)[NH2+][C@@H](C)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001418277415 973722234 /nfs/dbraw/zinc/72/22/34/973722234.db2.gz WBBCMXYODQBPNL-SWLSCSKDSA-N 2 0 287.423 1.702 10 0 CDAERP C[N@H+](CCNC(=O)[C@@]12CC[NH+](C1)CCC2)CC1CCC1 ZINC001418514976 973921849 /nfs/dbraw/zinc/92/18/49/973921849.db2.gz CBHUKBKROWZWJZ-INIZCTEOSA-N 2 0 279.428 1.320 10 0 CDAERP CC[NH+]1CCC(C)(CNC(=O)CC[NH+](C)C)CC1 ZINC001569704568 1169971043 /nfs/dbraw/zinc/97/10/43/1169971043.db2.gz SAPAIYKFKFVBFB-UHFFFAOYSA-N 2 0 255.406 1.176 10 0 CDAERP CC[C@H](F)C[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001499420405 974251967 /nfs/dbraw/zinc/25/19/67/974251967.db2.gz DFPGONYMKSWFOR-STQMWFEESA-N 2 0 285.407 1.315 10 0 CDAERP CCC(CC)C[N@H+](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001375133324 974272920 /nfs/dbraw/zinc/27/29/20/974272920.db2.gz DAIWCVVWZIKECW-AWEZNQCLSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@@H]1CCCN1C(=O)CC[N@H+](C)CC ZINC001499938575 974339374 /nfs/dbraw/zinc/33/93/74/974339374.db2.gz BTXFKGDRVRQYLP-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001376154806 974586049 /nfs/dbraw/zinc/58/60/49/974586049.db2.gz HWCFSCDMXIYWMB-CABCVRRESA-N 2 0 281.444 1.707 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1CC12CC[NH+](CC)CC2 ZINC001376179997 974593701 /nfs/dbraw/zinc/59/37/01/974593701.db2.gz VKWORYJCWSYPMC-UONOGXRCSA-N 2 0 299.434 1.657 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]([NH2+]CCF)C1 ZINC001376371204 974644216 /nfs/dbraw/zinc/64/42/16/974644216.db2.gz JSIZKCAJOWRYIS-JHJVBQTASA-N 2 0 271.380 1.067 10 0 CDAERP COC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001376460213 974668790 /nfs/dbraw/zinc/66/87/90/974668790.db2.gz FQWMWJYLEIYIFC-APIJFGDWSA-N 2 0 297.443 1.133 10 0 CDAERP COC[C@@H](C)[NH2+]CC[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001376558521 974687034 /nfs/dbraw/zinc/68/70/34/974687034.db2.gz DDZWCLMIZMHGNF-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP COC[C@H](C)[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001502832825 974793092 /nfs/dbraw/zinc/79/30/92/974793092.db2.gz ZUIIKKUPLKEYNF-KBPBESRZSA-N 2 0 299.459 1.190 10 0 CDAERP C[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)CCC(C)(C)C ZINC001377248872 974944507 /nfs/dbraw/zinc/94/45/07/974944507.db2.gz IIJPCFJMVKWCBP-AWEZNQCLSA-N 2 0 283.460 1.812 10 0 CDAERP CC(C)[NH2+][C@H](C)[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001505715974 974971681 /nfs/dbraw/zinc/97/16/81/974971681.db2.gz BDBZLSZSUZTLMX-ZIAGYGMSSA-N 2 0 269.433 1.610 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+](CCC2CC2)C1 ZINC001377467179 975039312 /nfs/dbraw/zinc/03/93/12/975039312.db2.gz XOWUUKNIBPKAJX-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)CC[C@@H]1CCCO1 ZINC001506056857 975103218 /nfs/dbraw/zinc/10/32/18/975103218.db2.gz PZKCHWNBOPQJDB-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP COC[C@@H](C)[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)C(C)C ZINC001377680285 975109589 /nfs/dbraw/zinc/10/95/89/975109589.db2.gz TYKZVGJFFDBPCP-CABCVRRESA-N 2 0 299.459 1.284 10 0 CDAERP Cc1ncc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C[NH+]2CCCC2)o1 ZINC001377916090 975173930 /nfs/dbraw/zinc/17/39/30/975173930.db2.gz SLPQTFWIMLHHRG-VXGBXAGGSA-N 2 0 294.399 1.062 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)C[NH+](C)C)C1 ZINC001569755778 1169986760 /nfs/dbraw/zinc/98/67/60/1169986760.db2.gz FRBPQTKQZYYYSO-KBPBESRZSA-N 2 0 269.433 1.421 10 0 CDAERP CC(C)C[NH2+]CCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001506938380 975267257 /nfs/dbraw/zinc/26/72/57/975267257.db2.gz QHMQHYSSYIBGLE-HUUCEWRRSA-N 2 0 283.460 1.859 10 0 CDAERP CCN(C(=O)C[NH+]1CC[C@H](C)C1)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001378205417 975286187 /nfs/dbraw/zinc/28/61/87/975286187.db2.gz ZFNKIFDESQBQCO-JKSUJKDBSA-N 2 0 295.471 1.907 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H](C)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001507117014 975343236 /nfs/dbraw/zinc/34/32/36/975343236.db2.gz IPFLOEXSTXMZQT-CHWSQXEVSA-N 2 0 287.423 1.513 10 0 CDAERP C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]C/C=C/Cl ZINC001507150204 975355481 /nfs/dbraw/zinc/35/54/81/975355481.db2.gz UXJADYHORFHYFP-MJRJWQSSSA-N 2 0 285.819 1.271 10 0 CDAERP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]CCC1CC1 ZINC001507155385 975356223 /nfs/dbraw/zinc/35/62/23/975356223.db2.gz RWEHDXISRGBTQZ-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP CC[C@@H](C)C[NH+]1CC([C@@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001378525038 975377007 /nfs/dbraw/zinc/37/70/07/975377007.db2.gz BJXDIDGHYMOLHJ-ZIAGYGMSSA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]1C[N@H+](CCC(C)C)CCO1)[NH+](C)C ZINC001378664061 975434491 /nfs/dbraw/zinc/43/44/91/975434491.db2.gz VJGJKJHYFYSFBC-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP CN(C[C@@H]1CC[N@@H+]1CCC1CC1)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001397038019 975443680 /nfs/dbraw/zinc/44/36/80/975443680.db2.gz DTOYIFAKLOJFAD-HOTGVXAUSA-N 2 0 293.455 1.661 10 0 CDAERP O=C(N[C@H]1CC[C@H](C[NH2+]CCF)C1)C12CCC[NH+]1CCC2 ZINC001507400092 975454179 /nfs/dbraw/zinc/45/41/79/975454179.db2.gz CHEKDKFNURIJHM-KBPBESRZSA-N 2 0 297.418 1.459 10 0 CDAERP CC(C)[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001397139280 975476231 /nfs/dbraw/zinc/47/62/31/975476231.db2.gz IGTYZSQEAKWTRJ-KBUPBQIOSA-N 2 0 281.444 1.752 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H]1C[C@H]([NH2+]CCF)C1 ZINC001397138265 975477112 /nfs/dbraw/zinc/47/71/12/975477112.db2.gz DAQLLWDIXSPDID-AAVRWANBSA-N 2 0 285.407 1.313 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[NH+](CC)C[C@@H]2C1 ZINC001378781175 975489099 /nfs/dbraw/zinc/48/90/99/975489099.db2.gz KAEKCZCEXSHPDC-QLFBSQMISA-N 2 0 281.444 1.565 10 0 CDAERP C[C@H](C[NH2+]Cc1ccccc1F)N(C)C(=O)CC[NH+](C)C ZINC001378806629 975498371 /nfs/dbraw/zinc/49/83/71/975498371.db2.gz FKUKOHTVNJRVBX-CYBMUJFWSA-N 2 0 295.402 1.714 10 0 CDAERP CC(C)CC[NH+]1CC(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001404844240 975506321 /nfs/dbraw/zinc/50/63/21/975506321.db2.gz QDCMFTQLNIWICS-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CCC(F)(F)F ZINC001405281825 975705002 /nfs/dbraw/zinc/70/50/02/975705002.db2.gz FXSLNHABIRZXQO-SNVBAGLBSA-N 2 0 283.338 1.375 10 0 CDAERP C[C@@H]([NH2+]C[C@H](C)NC(=O)CC[NH+](C)C)c1ccc(F)cc1 ZINC001401701554 975812824 /nfs/dbraw/zinc/81/28/24/975812824.db2.gz WPSSGVOHFHXLMR-QWHCGFSZSA-N 2 0 295.402 1.933 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1cncc(F)c1 ZINC001379468002 975856030 /nfs/dbraw/zinc/85/60/30/975856030.db2.gz RHCHXIDFLWRBBI-GFCCVEGCSA-N 2 0 296.390 1.155 10 0 CDAERP C[C@@H]([NH2+]CC1CC1)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001398203459 975886655 /nfs/dbraw/zinc/88/66/55/975886655.db2.gz JTADMNYOLAPWHS-HIFRSBDPSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)C[C@@H](C[NH2+]C(C)C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001405937702 975942408 /nfs/dbraw/zinc/94/24/08/975942408.db2.gz RUWOPZWPRQORGR-CABCVRRESA-N 2 0 283.460 1.857 10 0 CDAERP CC1CC(C[NH2+][C@@H](CNC(=O)CC[NH+](C)C)C2CC2)C1 ZINC001398435641 975982655 /nfs/dbraw/zinc/98/26/55/975982655.db2.gz NZLGFTZTFDGIPA-PIMMBPRGSA-N 2 0 281.444 1.469 10 0 CDAERP CCC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001398437955 975984869 /nfs/dbraw/zinc/98/48/69/975984869.db2.gz RVILZLPQGCIJKS-AEGPPILISA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)CC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1C ZINC001379649646 975987738 /nfs/dbraw/zinc/98/77/38/975987738.db2.gz GAKNVFYVQGYSQY-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[NH2+][C@H](CNC(=O)[C@H](C)C[NH+]1CCOCC1)C(C)C ZINC001406066871 975994473 /nfs/dbraw/zinc/99/44/73/975994473.db2.gz IHSWAFKBQZMODJ-HUUCEWRRSA-N 2 0 299.459 1.094 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001401917150 976004986 /nfs/dbraw/zinc/00/49/86/976004986.db2.gz KRNWKKHZMNQRKT-LSDHHAIUSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001389859145 976021452 /nfs/dbraw/zinc/02/14/52/976021452.db2.gz IJXKUFDYIOCFBN-KBUPBQIOSA-N 2 0 299.434 1.846 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001389876351 976030297 /nfs/dbraw/zinc/03/02/97/976030297.db2.gz CCGFOMSOYKVEOB-HDJSIYSDSA-N 2 0 281.444 1.611 10 0 CDAERP CC[C@H](C(=O)NCC1([NH2+]C[C@@H](F)CC)CC1)[NH+](C)C ZINC001401959595 976042017 /nfs/dbraw/zinc/04/20/17/976042017.db2.gz ZQLXWTKSDQGFIH-NWDGAFQWSA-N 2 0 273.396 1.313 10 0 CDAERP CC[N@H+](C)CCC(=O)NCC1([NH2+]Cc2cncs2)CC1 ZINC001401976744 976057020 /nfs/dbraw/zinc/05/70/20/976057020.db2.gz PUGBBIHNNNDGRC-UHFFFAOYSA-N 2 0 296.440 1.223 10 0 CDAERP O=C(N[C@H]1C[C@@H]([NH2+]C/C=C\Cl)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001398620565 976078187 /nfs/dbraw/zinc/07/81/87/976078187.db2.gz MGLNQQZBTWTSIZ-VBHJHZJTSA-N 2 0 297.830 1.318 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[C@@H](C)O2)C1 ZINC001398666858 976096186 /nfs/dbraw/zinc/09/61/86/976096186.db2.gz OFFKTJSDOULIJC-KBXIAJHMSA-N 2 0 297.443 1.131 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC001402043082 976096888 /nfs/dbraw/zinc/09/68/88/976096888.db2.gz VEQIAQVJLPAGKF-UHFFFAOYSA-N 2 0 295.471 1.905 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H]1C[NH2+]Cc1nccs1 ZINC001402053857 976098553 /nfs/dbraw/zinc/09/85/53/976098553.db2.gz CMNGBAQQQYLUJR-LBPRGKRZSA-N 2 0 296.440 1.175 10 0 CDAERP CC(C)CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001402099243 976121779 /nfs/dbraw/zinc/12/17/79/976121779.db2.gz JLDXBYGVCQUPEC-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP Cc1cccnc1C[NH2+]C1(CNC(=O)CC[NH+](C)C)CC1 ZINC001380135219 976258147 /nfs/dbraw/zinc/25/81/47/976258147.db2.gz RRZJVXRDUFYAQQ-UHFFFAOYSA-N 2 0 290.411 1.080 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]([NH2+]CC2CCC2)C1 ZINC001402492301 976311298 /nfs/dbraw/zinc/31/12/98/976311298.db2.gz JPMDTPLZJHJGMB-BZUAXINKSA-N 2 0 293.455 1.898 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001402497991 976316596 /nfs/dbraw/zinc/31/65/96/976316596.db2.gz XLPJULWCTNXZLR-XUXIUFHCSA-N 2 0 287.423 1.558 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC1CCCCC1 ZINC001390515897 976344476 /nfs/dbraw/zinc/34/44/76/976344476.db2.gz CTHUZNGJCWPDJL-ZFWWWQNUSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC1CCCCC1 ZINC001390515874 976344742 /nfs/dbraw/zinc/34/47/42/976344742.db2.gz CTHUZNGJCWPDJL-HIFRSBDPSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)CC[NH2+][C@H](C)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001399111581 976345269 /nfs/dbraw/zinc/34/52/69/976345269.db2.gz LPLNZWFOMVNPKZ-LSDHHAIUSA-N 2 0 299.459 1.095 10 0 CDAERP C[C@@H](F)CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1 ZINC001402551244 976353792 /nfs/dbraw/zinc/35/37/92/976353792.db2.gz ZFRUCTICKODKKI-MGPQQGTHSA-N 2 0 299.434 1.703 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001390592725 976380981 /nfs/dbraw/zinc/38/09/81/976380981.db2.gz NGEPNJGQAUIKJO-CQSZACIVSA-N 2 0 295.471 1.812 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC2)C1 ZINC001402596585 976385094 /nfs/dbraw/zinc/38/50/94/976385094.db2.gz JPMDTPLZJHJGMB-XHSDSOJGSA-N 2 0 293.455 1.898 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001399241013 976394099 /nfs/dbraw/zinc/39/40/99/976394099.db2.gz LHERIBSXXFZZSY-CHWSQXEVSA-N 2 0 273.396 1.124 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001406815693 976417937 /nfs/dbraw/zinc/41/79/37/976417937.db2.gz KEYFCYGNRXTONI-HUUCEWRRSA-N 2 0 281.444 1.707 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CC[NH+]1CCC1CC1 ZINC001406855948 976443973 /nfs/dbraw/zinc/44/39/73/976443973.db2.gz SMEWEGOAORMUGP-JKSUJKDBSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@@H]([NH2+]CCF)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001380669772 976506717 /nfs/dbraw/zinc/50/67/17/976506717.db2.gz QTDQYHDDKGTWRK-KGLIPLIRSA-N 2 0 299.434 1.657 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH2+]CCC3CC3)CC2)C1 ZINC001406987825 976507276 /nfs/dbraw/zinc/50/72/76/976507276.db2.gz MSGRGDJWLJIXKM-AWEZNQCLSA-N 2 0 279.428 1.367 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)C[C@@H](C)CC ZINC001399489384 976525925 /nfs/dbraw/zinc/52/59/25/976525925.db2.gz RLDGDGNPYIGVMB-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@@H](C(=O)NCC[N@H+](C)Cc1ccsc1)[NH+](C)C ZINC001390815464 976529982 /nfs/dbraw/zinc/52/99/82/976529982.db2.gz DZNDXJJXNAOQQB-ZDUSSCGKSA-N 2 0 283.441 1.636 10 0 CDAERP C[NH+](C)CCC(=O)N1CC2(C1)CC[NH+](C/C=C/Cl)CC2 ZINC001380802552 976553905 /nfs/dbraw/zinc/55/39/05/976553905.db2.gz HJWRSVGIGHMLNJ-XVNBXDOJSA-N 2 0 299.846 1.615 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001407113896 976559594 /nfs/dbraw/zinc/55/95/94/976559594.db2.gz GQIYSMGLKGENPJ-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCF)C2 ZINC001407483448 976676979 /nfs/dbraw/zinc/67/69/79/976676979.db2.gz WYRQMZKQDOVNAJ-IHRRRGAJSA-N 2 0 285.407 1.267 10 0 CDAERP C[C@H](F)CC[N@@H+]1CCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001399866247 976707505 /nfs/dbraw/zinc/70/75/05/976707505.db2.gz JIVBZBCQMRFGCE-KBPBESRZSA-N 2 0 299.434 1.657 10 0 CDAERP C[C@@H](F)CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001381201572 976717542 /nfs/dbraw/zinc/71/75/42/976717542.db2.gz PZQDVJGUUPUASP-FRRDWIJNSA-N 2 0 273.396 1.313 10 0 CDAERP C[C@@H](CNC(=O)CCC[NH+](C)C)[N@H+](C)CC1CCCC1 ZINC001403170742 976784053 /nfs/dbraw/zinc/78/40/53/976784053.db2.gz AAOHTAIEYWNZGK-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP COCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001403196229 976804579 /nfs/dbraw/zinc/80/45/79/976804579.db2.gz QAQKQMXXVNUTNO-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)Cc1ccsc1 ZINC001403206537 976815090 /nfs/dbraw/zinc/81/50/90/976815090.db2.gz SUUGIJGAZARDBX-OCCSQVGLSA-N 2 0 295.452 1.636 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2C[C@H](F)CC ZINC001400113308 976859730 /nfs/dbraw/zinc/85/97/30/976859730.db2.gz IIZVASZUFNHYKG-KFWWJZLASA-N 2 0 299.434 1.752 10 0 CDAERP CC[N@@H+]1Cc2ccc(CNC(=O)CC[NH+](C)C)cc2C1 ZINC001408050720 976878333 /nfs/dbraw/zinc/87/83/33/976878333.db2.gz DAGOAFCBHYNKHB-UHFFFAOYSA-N 2 0 275.396 1.590 10 0 CDAERP C[C@@H](F)CC[NH2+][C@@H](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001408198988 976961608 /nfs/dbraw/zinc/96/16/08/976961608.db2.gz QMICDQSFDZAREL-OLZOCXBDSA-N 2 0 287.423 1.703 10 0 CDAERP CCC[NH+]1CC([C@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001381787192 977019752 /nfs/dbraw/zinc/01/97/52/977019752.db2.gz MRROMPQIOXOWRE-DZGCQCFKSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[C@@H](C(=O)NCC1C[NH+](CC[C@H](C)F)C1)[NH+](C)C ZINC001400503110 977065623 /nfs/dbraw/zinc/06/56/23/977065623.db2.gz NBIJXGRMHUSCCL-JSGCOSHPSA-N 2 0 287.423 1.369 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@H]2C[N@H+](CC3CC3)C[C@H]2C1 ZINC001381929534 977084856 /nfs/dbraw/zinc/08/48/56/977084856.db2.gz MFZAZQSVWUAUHU-ARFHVFGLSA-N 2 0 293.455 1.565 10 0 CDAERP CC(C)C[NH2+][C@H](C)CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001403636101 977116471 /nfs/dbraw/zinc/11/64/71/977116471.db2.gz UZXUZVKEGLQJSG-LSDHHAIUSA-N 2 0 299.459 1.047 10 0 CDAERP CC(C)C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001382020993 977124564 /nfs/dbraw/zinc/12/45/64/977124564.db2.gz YKLUDLGMTGVCIV-LDKKBFSKSA-N 2 0 295.471 2.000 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C[NH2+]CC1CCC1 ZINC001391888760 977136124 /nfs/dbraw/zinc/13/61/24/977136124.db2.gz QQFSRJIXLSOTOB-CZUORRHYSA-N 2 0 293.455 1.470 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001403782610 977189078 /nfs/dbraw/zinc/18/90/78/977189078.db2.gz BNRYHHNSAAXGLM-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001392138850 977231930 /nfs/dbraw/zinc/23/19/30/977231930.db2.gz QMDPWPNSWRDRGE-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)[NH2+]Cc1ccccn1 ZINC001400912031 977242317 /nfs/dbraw/zinc/24/23/17/977242317.db2.gz RICOZHAJEFYPKV-UKRRQHHQSA-N 2 0 292.427 1.406 10 0 CDAERP CCC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001404264046 977384388 /nfs/dbraw/zinc/38/43/88/977384388.db2.gz YGBSVUFURSUTCW-UHFFFAOYSA-N 2 0 281.444 1.851 10 0 CDAERP CC(C)[NH+](C)CC(=O)N[C@]1(C)CC[N@@H+](CCC[C@@H](C)O)C1 ZINC001393125580 977711021 /nfs/dbraw/zinc/71/10/21/977711021.db2.gz MNPCERYHSXWUFB-GDBMZVCRSA-N 2 0 299.459 1.068 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CCC1 ZINC001393457018 977792792 /nfs/dbraw/zinc/79/27/92/977792792.db2.gz FSLCNKHVMUEVSF-HZPDHXFCSA-N 2 0 293.455 1.804 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC ZINC001393467013 977795265 /nfs/dbraw/zinc/79/52/65/977795265.db2.gz WWTTZKJIPKUQRQ-ZNMIVQPWSA-N 2 0 299.434 1.752 10 0 CDAERP CC[C@H](F)C[NH+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001393496999 977804536 /nfs/dbraw/zinc/80/45/36/977804536.db2.gz PAFAZNREIHHPJE-AWEZNQCLSA-N 2 0 299.434 1.611 10 0 CDAERP C[NH+](C)CCC(=O)NC1CC(C[NH2+]Cc2nccs2)C1 ZINC001393904930 977953774 /nfs/dbraw/zinc/95/37/74/977953774.db2.gz JICQYYAHORRZCA-UHFFFAOYSA-N 2 0 296.440 1.079 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC2CCC2)C(C)(C)C1 ZINC001394719318 978239994 /nfs/dbraw/zinc/23/99/94/978239994.db2.gz XBSGJQLISOXRDJ-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP CC/C=C/CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001674257941 1173927345 /nfs/dbraw/zinc/92/73/45/1173927345.db2.gz GFSWLKWMFXVLKN-WHJWBVKISA-N 2 0 281.444 1.779 10 0 CDAERP CC(C)COCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001674907803 1174028841 /nfs/dbraw/zinc/02/88/41/1174028841.db2.gz KVOLTLWGTINXPI-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP CCC[NH2+]C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)(C)C ZINC001677281816 1174345494 /nfs/dbraw/zinc/34/54/94/1174345494.db2.gz NGWJKRNVARVYER-ZIAGYGMSSA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)Cc2c[nH]cn2)C1 ZINC001571163345 1170342309 /nfs/dbraw/zinc/34/23/09/1170342309.db2.gz RVRISNKZKOYTCI-JOCQHMNTSA-N 2 0 292.427 1.873 10 0 CDAERP C[NH+](C)CC1CC[NH+](CC2CCS(=O)(=O)CC2)CC1 ZINC000336799732 282082401 /nfs/dbraw/zinc/08/24/01/282082401.db2.gz JTKXOGUSVWAFED-UHFFFAOYSA-N 2 0 288.457 1.085 10 0 CDAERP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)[C@H]1CCCCO1 ZINC000623862373 342492658 /nfs/dbraw/zinc/49/26/58/342492658.db2.gz SBQQSPTYTZVBER-JKSUJKDBSA-N 2 0 283.460 1.561 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000618556690 349483126 /nfs/dbraw/zinc/48/31/26/349483126.db2.gz KJAVUOLKTQEZLT-OAHLLOKOSA-N 2 0 294.443 1.254 10 0 CDAERP CC(C)(C)c1n[nH]cc1C[NH2+]CCC1(C[NH3+])CC1 ZINC000650712881 398155864 /nfs/dbraw/zinc/15/58/64/398155864.db2.gz ZGZVAWGQLHFXQR-UHFFFAOYSA-N 2 0 250.390 1.926 10 0 CDAERP CC1(C)NC(=O)CC[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650761824 398183345 /nfs/dbraw/zinc/18/33/45/398183345.db2.gz LGUFYCVZOIYGKH-GFCCVEGCSA-N 2 0 253.390 1.023 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1CNc2ccccc2C1 ZINC000650747674 398175084 /nfs/dbraw/zinc/17/50/84/398175084.db2.gz FLXHUPXVOQSGMJ-UONOGXRCSA-N 2 0 263.385 1.367 10 0 CDAERP CC(C)C[C@H]([NH3+])C[NH2+][C@H]1CCCc2c1ccc(=O)n2C ZINC000650725011 398163858 /nfs/dbraw/zinc/16/38/58/398163858.db2.gz RDKXSWMFHGWNHY-JSGCOSHPSA-N 2 0 277.412 1.726 10 0 CDAERP C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)OC1CCOCC1 ZINC000625084169 342029727 /nfs/dbraw/zinc/02/97/27/342029727.db2.gz WXCDLLGTQLAXMX-UHFFFAOYSA-N 2 0 296.455 1.990 10 0 CDAERP Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1CN(C)C[C@@H]1C)C2 ZINC000531691390 361780604 /nfs/dbraw/zinc/78/06/04/361780604.db2.gz XGPUGTWEDSCDNU-VZJVUDMVSA-N 2 0 260.385 1.182 10 0 CDAERP Cn1cc(CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)nn1 ZINC000625262837 342060210 /nfs/dbraw/zinc/06/02/10/342060210.db2.gz GTCLJWFCDPITOJ-CZUORRHYSA-N 2 0 289.427 1.306 10 0 CDAERP CC[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000591571897 342637466 /nfs/dbraw/zinc/63/74/66/342637466.db2.gz XYJXMLNFWMGCGX-UONOGXRCSA-N 2 0 282.432 1.112 10 0 CDAERP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@@H]2C[C@H]2C)CC1 ZINC000625457053 342170232 /nfs/dbraw/zinc/17/02/32/342170232.db2.gz IHKYVCQNLMQQHO-KGLIPLIRSA-N 2 0 254.418 1.715 10 0 CDAERP C[C@H](CC(=O)N1CCCCCC1)[NH2+]CCOCCC[NH3+] ZINC000629398308 361931132 /nfs/dbraw/zinc/93/11/32/361931132.db2.gz AFXDRENQAVLEDY-CQSZACIVSA-N 2 0 285.432 1.123 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCOCCC[NH3+] ZINC000629400196 361938036 /nfs/dbraw/zinc/93/80/36/361938036.db2.gz PYANJOGCCBZHAN-UHFFFAOYSA-N 3 0 289.383 1.031 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CCOCCC[NH3+])CN1Cc1ccccc1 ZINC000629401598 361940747 /nfs/dbraw/zinc/94/07/47/361940747.db2.gz TXPBHHNJKONYMG-WBVHZDCISA-N 2 0 291.439 1.604 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000363538010 361996177 /nfs/dbraw/zinc/99/61/77/361996177.db2.gz KEWAVWITFXMHNI-OAHLLOKOSA-N 2 0 279.428 1.128 10 0 CDAERP CC(C)(C)OC(=O)N[C@@H]1C[NH2+]CC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000669384821 539072598 /nfs/dbraw/zinc/07/25/98/539072598.db2.gz HPBXZBLOXIQOEI-YNEHKIRRSA-N 2 0 283.416 1.489 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCOCC[NH2+]C)C[C@@H]1C ZINC000600677628 342241982 /nfs/dbraw/zinc/24/19/82/342241982.db2.gz IAGSQGQAUQWYPJ-MELADBBJSA-N 2 0 286.416 1.180 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCOCCC[NH3+])C[C@H]1C ZINC000600681143 342242183 /nfs/dbraw/zinc/24/21/83/342242183.db2.gz XNOQUGLGMTXHAO-HZSPNIEDSA-N 2 0 286.416 1.309 10 0 CDAERP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000594943648 342979740 /nfs/dbraw/zinc/97/97/40/342979740.db2.gz FMZMDEQBPRPFGZ-DDTOSNHZSA-N 2 0 273.336 1.622 10 0 CDAERP COc1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)c2ccccc12 ZINC000263144048 362023597 /nfs/dbraw/zinc/02/35/97/362023597.db2.gz COLCHILLJZPGFY-BBRMVZONSA-N 2 0 286.375 1.518 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNc1ccnc(N(C)C)n1 ZINC000077189906 342325395 /nfs/dbraw/zinc/32/53/95/342325395.db2.gz YHVLOCAWXYGIEN-LBPRGKRZSA-N 2 0 263.389 1.829 10 0 CDAERP CN(C)c1nccc(N2CC[C@H]([NH+]3CCCCC3)C2)n1 ZINC000077218841 342328584 /nfs/dbraw/zinc/32/85/84/342328584.db2.gz KGLUSEUGZYYPLK-ZDUSSCGKSA-N 2 0 275.400 1.607 10 0 CDAERP CC(C)[C@@H](C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)[NH+](C)C ZINC000645108210 362121770 /nfs/dbraw/zinc/12/17/70/362121770.db2.gz GWHQJNAGXRSUNJ-KFWWJZLASA-N 2 0 281.444 1.563 10 0 CDAERP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1c(C(F)(F)F)cnn1C ZINC000629513000 362122968 /nfs/dbraw/zinc/12/29/68/362122968.db2.gz JTELLIOAWDITBR-SFYZADRCSA-N 2 0 264.295 1.654 10 0 CDAERP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645104708 362118831 /nfs/dbraw/zinc/11/88/31/362118831.db2.gz QXRKYEBFPNBTQZ-AIANPOQGSA-N 2 0 293.455 1.885 10 0 CDAERP Nc1nc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c2c([nH+]1)CCCC2 ZINC000645127149 362136209 /nfs/dbraw/zinc/13/62/09/362136209.db2.gz HIJBLSZTWJULJR-NEPJUHHUSA-N 2 0 287.411 1.229 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H]1CCc2c1cccc2F ZINC000629528911 362154645 /nfs/dbraw/zinc/15/46/45/362154645.db2.gz MWKYCLYMEAHHGT-AWEZNQCLSA-N 2 0 252.333 1.639 10 0 CDAERP C[C@@H](CO)[C@@H](C)[NH2+]Cc1ccc(-n2ccnc2)nc1 ZINC000084664330 342380376 /nfs/dbraw/zinc/38/03/76/342380376.db2.gz TXNQSVYCOHLLQC-NWDGAFQWSA-N 2 0 260.341 1.374 10 0 CDAERP FC1(F)CC[C@@H](C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000311699874 362174987 /nfs/dbraw/zinc/17/49/87/362174987.db2.gz QDAZSPYSYURATH-OLZOCXBDSA-N 2 0 273.371 1.401 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](C)C[C@@H]2C)CC[N@@H+]1C ZINC000631466494 362233548 /nfs/dbraw/zinc/23/35/48/362233548.db2.gz UAYVOPBBKNYKII-XQLPTFJDSA-N 2 0 281.444 1.515 10 0 CDAERP CCCCOC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000227907704 140188242 /nfs/dbraw/zinc/18/82/42/140188242.db2.gz JYWDPGXFBRABAF-ARFHVFGLSA-N 2 0 284.444 1.580 10 0 CDAERP C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@H]3C[NH2+]C[C@H]3O)CC2)C1 ZINC000263213547 362269992 /nfs/dbraw/zinc/26/99/92/362269992.db2.gz KNAVRFHGILBMKP-TXCZRRACSA-N 2 0 295.471 1.199 10 0 CDAERP O=C([C@@H]1C[NH2+]Cc2ccccc21)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000250526500 344046290 /nfs/dbraw/zinc/04/62/90/344046290.db2.gz HMZLXJCKTRQYKG-GOEBONIOSA-N 2 0 285.391 1.180 10 0 CDAERP Cc1nc2ccc(CNC[C@@H]3C[NH2+]C[C@@H]3O)cc2s1 ZINC000263265717 362411030 /nfs/dbraw/zinc/41/10/30/362411030.db2.gz ROKMEEZTVASYFG-YPMHNXCESA-N 2 0 277.393 1.275 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000104405334 534994557 /nfs/dbraw/zinc/99/45/57/534994557.db2.gz CPWLLYHJSUIAMH-UHFFFAOYSA-N 2 0 267.417 1.413 10 0 CDAERP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000079510574 362644798 /nfs/dbraw/zinc/64/47/98/362644798.db2.gz OHVSJTVDKKZKMD-ZFWWWQNUSA-N 2 0 269.433 1.755 10 0 CDAERP C[NH+](C)Cc1cccc(NC(=O)[C@]2(C)CCC[NH2+]2)c1 ZINC000079514056 362646490 /nfs/dbraw/zinc/64/64/90/362646490.db2.gz QNXBLFRYROODMX-HNNXBMFYSA-N 2 0 261.369 1.829 10 0 CDAERP C[C@@H]1C[C@@H](C[N@@H+]2Cc3ccccc3N(C)C(=O)C2)CC[NH2+]1 ZINC000623238800 345739902 /nfs/dbraw/zinc/73/99/02/345739902.db2.gz TYBRPEAHARQCIH-KGLIPLIRSA-N 2 0 287.407 1.853 10 0 CDAERP CCN(C(=O)CCCC[NH+](C)C)[C@H]1CC[N@H+](C)C1 ZINC000617554512 345849400 /nfs/dbraw/zinc/84/94/00/345849400.db2.gz DHWKKUZSTKUJFB-ZDUSSCGKSA-N 2 0 255.406 1.271 10 0 CDAERP Cc1nc(C(=O)NCCN(C)CCC[NH+](C)C)c(C)s1 ZINC000617764623 345960825 /nfs/dbraw/zinc/96/08/25/345960825.db2.gz AEMSPUQSAPSDRB-UHFFFAOYSA-N 2 0 298.456 1.373 10 0 CDAERP C[C@H](C[C@](C)(O)C[NH3+])N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000085303244 179010998 /nfs/dbraw/zinc/01/09/98/179010998.db2.gz IFQIWJHFVUBQLB-ILXRZTDVSA-N 2 0 269.433 1.035 10 0 CDAERP Cc1cc(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)ccn1 ZINC000623412659 346253077 /nfs/dbraw/zinc/25/30/77/346253077.db2.gz UWLIMGMTYZIGEZ-INIZCTEOSA-N 2 0 277.412 1.717 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000085374291 179043672 /nfs/dbraw/zinc/04/36/72/179043672.db2.gz AYRFGJRZSQPUEW-XQQFMLRXSA-N 2 0 253.390 1.057 10 0 CDAERP C[C@@]1(C[NH2+]Cc2ccc(Cl)s2)COC[C@H]1[NH3+] ZINC000085396733 179049268 /nfs/dbraw/zinc/04/92/68/179049268.db2.gz GRZYCIIPMVHZLB-MWLCHTKSSA-N 2 0 260.790 1.855 10 0 CDAERP C[C@@H]1C[NH+](CCN2CCC([NH+](C)C)CC2)C[C@@H](C)O1 ZINC000659839831 412527833 /nfs/dbraw/zinc/52/78/33/412527833.db2.gz YRWMKFZHFMGGFS-ZIAGYGMSSA-N 2 0 269.433 1.122 10 0 CDAERP Cc1ncc(C[NH2+]C(C)(C)CCC[NH+](C)C)cn1 ZINC000449528711 362747666 /nfs/dbraw/zinc/74/76/66/362747666.db2.gz RLSADFFIVXCXRA-UHFFFAOYSA-N 2 0 250.390 1.995 10 0 CDAERP CC(C)c1nc2c(n1CC[N@@H+](C)C(C)C)CC[NH2+]C2 ZINC000085570935 179095920 /nfs/dbraw/zinc/09/59/20/179095920.db2.gz ZMGNIHHNBMJJFA-UHFFFAOYSA-N 2 0 264.417 1.992 10 0 CDAERP C(Cn1c2c(nc1C1CC1)C[NH2+]CC2)C[NH+]1CCCC1 ZINC000085572288 179097286 /nfs/dbraw/zinc/09/72/86/179097286.db2.gz TUHMAHWDAKJCHO-UHFFFAOYSA-N 2 0 274.412 1.892 10 0 CDAERP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2[C@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000085630988 179108013 /nfs/dbraw/zinc/10/80/13/179108013.db2.gz QHRACFIATWKKSY-ILXRZTDVSA-N 2 0 295.471 1.416 10 0 CDAERP CC(C)=CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000237140361 136591527 /nfs/dbraw/zinc/59/15/27/136591527.db2.gz KNVQRKMVDKLXJM-UHFFFAOYSA-N 2 0 274.412 1.889 10 0 CDAERP CC1CC[NH+](CCSC[C@@H]2CN(C)CCO2)CC1 ZINC000566214710 370648397 /nfs/dbraw/zinc/64/83/97/370648397.db2.gz MWKNDIGNOHTDAM-AWEZNQCLSA-N 2 0 272.458 1.782 10 0 CDAERP COc1cc(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)on1 ZINC000641797432 365866397 /nfs/dbraw/zinc/86/63/97/365866397.db2.gz CHCCWHODHXCGEF-WCQYABFASA-N 2 0 265.357 1.647 10 0 CDAERP CC[N@H+](CCC1CC1)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000355062563 365876231 /nfs/dbraw/zinc/87/62/31/365876231.db2.gz KALLRRUDVBZMEH-UHFFFAOYSA-N 2 0 293.455 1.851 10 0 CDAERP CC[C@H]1C[NH2+][C@@](C)(C2CC2)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223085 179250432 /nfs/dbraw/zinc/25/04/32/179250432.db2.gz LAEGUXUIPWYMII-VNQPRFMTSA-N 2 0 265.445 1.791 10 0 CDAERP C[C@@H]1C[NH2+][C@@H](c2ccccc2)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223080 179250944 /nfs/dbraw/zinc/25/09/44/179250944.db2.gz TVJJSSATBFIRJG-BFYDXBDKSA-N 2 0 273.424 1.973 10 0 CDAERP CC[C@@H]1C[NH2+][C@](C)(CC)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223128 179251592 /nfs/dbraw/zinc/25/15/92/179251592.db2.gz KUBRSLNCMZHRGI-RBSFLKMASA-N 2 0 253.434 1.791 10 0 CDAERP C[C@H]1C[NH2+][C@](C)(C2CC2)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086223937 179253689 /nfs/dbraw/zinc/25/36/89/179253689.db2.gz USWFSJGPMVOUOK-CFVMTHIKSA-N 2 0 251.418 1.543 10 0 CDAERP C[NH+]1CC[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)CC1(C)C ZINC000623484865 347599368 /nfs/dbraw/zinc/59/93/68/347599368.db2.gz FKEXMEDXPNSHEF-CQSZACIVSA-N 2 0 251.418 1.711 10 0 CDAERP C[N@@H+]1CC[C@@H](NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1(C)C ZINC000623572945 347640201 /nfs/dbraw/zinc/64/02/01/347640201.db2.gz RVOXCRRJQRFLBR-HZPDHXFCSA-N 2 0 295.471 1.702 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CCC3(C2)CC[NH+](C)CC3)CC[N@@H+]1C ZINC000614970689 348289904 /nfs/dbraw/zinc/28/99/04/348289904.db2.gz WGQVWUPFIHWUAW-ZIAGYGMSSA-N 2 0 279.428 1.271 10 0 CDAERP C[C@H]1CCC[C@@](CNC2=[NH+]CCCN2)([NH+](C)C)C1 ZINC000066245721 348977798 /nfs/dbraw/zinc/97/77/98/348977798.db2.gz ROUFSNMHTDJPRE-GXTWGEPZSA-N 2 0 252.406 1.436 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000417839483 482643079 /nfs/dbraw/zinc/64/30/79/482643079.db2.gz WPLUEPVWXDZRFK-SDDRHHMPSA-N 2 0 253.390 1.151 10 0 CDAERP O=C(CC[C@@H]1CCC[NH2+]C1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000621642152 350687354 /nfs/dbraw/zinc/68/73/54/350687354.db2.gz GFICPNARPSRQNE-JYJNAYRXSA-N 2 0 293.455 1.757 10 0 CDAERP CN(C(=O)CC[C@@H]1CCC[NH2+]C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000621645897 350689293 /nfs/dbraw/zinc/68/92/93/350689293.db2.gz NNPFCGZQLVTJHG-DZGCQCFKSA-N 2 0 279.428 1.461 10 0 CDAERP O=C(CC[C@H]1CCC[NH2+]C1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000621658482 350696702 /nfs/dbraw/zinc/69/67/02/350696702.db2.gz JOHLGXDRXZDPMA-KFWWJZLASA-N 2 0 279.428 1.224 10 0 CDAERP CCn1nccc1CC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000621776571 350772830 /nfs/dbraw/zinc/77/28/30/350772830.db2.gz OXXRMZPPAZTDSN-INIZCTEOSA-N 2 0 276.428 1.910 10 0 CDAERP O=S1(=O)Cc2ccccc2[C@H]([NH2+]CC2CC[NH2+]CC2)C1 ZINC000621776591 350773045 /nfs/dbraw/zinc/77/30/45/350773045.db2.gz PUFYCYJFWOAHJT-OAHLLOKOSA-N 2 0 294.420 1.245 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000623959497 351353032 /nfs/dbraw/zinc/35/30/32/351353032.db2.gz SJXUSBMQCYGCMI-CABCVRRESA-N 2 0 272.433 1.892 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)[C@H]1CC1(C)C ZINC000487295269 366035055 /nfs/dbraw/zinc/03/50/55/366035055.db2.gz CWERYXCIXCGMKU-HZSPNIEDSA-N 2 0 253.434 1.647 10 0 CDAERP C/C=C\C[C@H]1CCC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000629595828 363096374 /nfs/dbraw/zinc/09/63/74/363096374.db2.gz YGFBKFPXSRFZRU-GWQWAINWSA-N 2 0 251.418 1.570 10 0 CDAERP FC1(F)CC[NH2+]C[C@@H]1N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000414996279 303126463 /nfs/dbraw/zinc/12/64/63/303126463.db2.gz GKBVUMXLHMDHPB-LOWDOPEQSA-N 2 0 273.371 1.494 10 0 CDAERP C/C=C\C[C@@H]1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000629594368 363115163 /nfs/dbraw/zinc/11/51/63/363115163.db2.gz BHHSJHTWGQEBAF-MPNWYJEXSA-N 2 0 279.428 1.487 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCCc1ccncc1)C2 ZINC000629594047 363113585 /nfs/dbraw/zinc/11/35/85/363113585.db2.gz KEGIGFKVHFCUMI-IYBDPMFKSA-N 2 0 259.397 1.946 10 0 CDAERP [NH3+][C@@H]1CC[C@H]2CN(c3cc(N4CCCCC4)ncn3)C[C@@H]12 ZINC000333931155 363232076 /nfs/dbraw/zinc/23/20/76/363232076.db2.gz ZUCZALGYHXFPRP-BFHYXJOUSA-N 2 0 287.411 1.640 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)C[N@@H+]1C1CC1 ZINC000417861212 297270876 /nfs/dbraw/zinc/27/08/76/297270876.db2.gz XSINLEZYQJKLFG-LALPHHSUSA-N 2 0 292.427 1.148 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCCCS(C)(=O)=O ZINC000926213580 684813391 /nfs/dbraw/zinc/81/33/91/684813391.db2.gz RTXHFAKWYOKFMV-PBWFPOADSA-N 2 0 288.457 1.131 10 0 CDAERP CC(C)(C)[C@H]([NH3+])CCNc1ccnn1C1C[NH2+]C1 ZINC000725258156 538452823 /nfs/dbraw/zinc/45/28/23/538452823.db2.gz JBLASIXVSJRFQS-LLVKDONJSA-N 2 0 251.378 1.203 10 0 CDAERP CC(C)C[NH+]1CCN([C@H]2C[C@H]([NH3+])C23CCOCC3)CC1 ZINC000725264440 538455614 /nfs/dbraw/zinc/45/56/14/538455614.db2.gz OGHNSXWQAFRDFO-GJZGRUSLSA-N 2 0 281.444 1.156 10 0 CDAERP CC(C)(C)N1CC[C@H]1C[NH2+]C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000634648964 356634889 /nfs/dbraw/zinc/63/48/89/356634889.db2.gz CZARCYLPLWYSPE-DZKIICNBSA-N 2 0 284.444 1.361 10 0 CDAERP [NH3+]Cc1ccc(N2CC[NH+](C3CCCC3)CC2)nc1 ZINC000052048822 356842462 /nfs/dbraw/zinc/84/24/62/356842462.db2.gz VDEGIVAZNLKSHG-UHFFFAOYSA-N 2 0 260.385 1.605 10 0 CDAERP C[C@@H](CNC(=O)N1CCc2ccccc2[C@@H]1C[NH3+])[NH+](C)C ZINC000573088061 357646595 /nfs/dbraw/zinc/64/65/95/357646595.db2.gz DAMCPTNFJPHEFL-WFASDCNBSA-N 2 0 290.411 1.204 10 0 CDAERP O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000636142294 363612792 /nfs/dbraw/zinc/61/27/92/363612792.db2.gz HVQFIYAHRSNGNP-CXTNEJHOSA-N 2 0 288.395 1.646 10 0 CDAERP CC[NH+](CC)CCN(CC(C)C)C(=O)[C@@H](C)[NH2+]C ZINC000054075155 358699932 /nfs/dbraw/zinc/69/99/32/358699932.db2.gz AMHBRLHFVIACHO-CYBMUJFWSA-N 2 0 257.422 1.421 10 0 CDAERP O=C(C[C@@H]1CCC[NH2+]C1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062973542 358814805 /nfs/dbraw/zinc/81/48/05/358814805.db2.gz YLXNHCPICPGTPW-GJZGRUSLSA-N 2 0 279.428 1.463 10 0 CDAERP C[C@@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C[C@H]1n1ccnc1 ZINC000262101793 359134060 /nfs/dbraw/zinc/13/40/60/359134060.db2.gz VPYSQVZZOVOSMU-KFWWJZLASA-N 2 0 262.401 1.766 10 0 CDAERP CCOCC[C@@H](O)C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000572356724 359135042 /nfs/dbraw/zinc/13/50/42/359135042.db2.gz SQGTUBOVBRPXQT-YMAMQOFZSA-N 2 0 272.433 1.484 10 0 CDAERP [NH3+]CCN(CCc1ccccc1)C(=O)C[C@H]1CCC[NH2+]1 ZINC000261691315 283435617 /nfs/dbraw/zinc/43/56/17/283435617.db2.gz IIAJYZYQRFKUOI-OAHLLOKOSA-N 2 0 275.396 1.159 10 0 CDAERP C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000347714365 359543116 /nfs/dbraw/zinc/54/31/16/359543116.db2.gz DSOUSSWJHSMGIB-CJNGLKHVSA-N 2 0 261.413 1.788 10 0 CDAERP Cn1c2ccccc2nc1N1CCN2CCOC[C@@H]2C1 ZINC000347883077 359647887 /nfs/dbraw/zinc/64/78/87/359647887.db2.gz QECQUVRJBBFYNF-LBPRGKRZSA-N 2 0 272.352 1.094 10 0 CDAERP CC(C)[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)[NH+](C)C ZINC000347889117 359650223 /nfs/dbraw/zinc/65/02/23/359650223.db2.gz JLAWKOSITCKTGS-UONOGXRCSA-N 2 0 267.417 1.268 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCN[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422888134 359667530 /nfs/dbraw/zinc/66/75/30/359667530.db2.gz MEFPOCULMRGASW-FSDCSDTHSA-N 2 0 295.471 1.606 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000422981824 359697948 /nfs/dbraw/zinc/69/79/48/359697948.db2.gz UNWDGIYGIFWUSQ-GXTWGEPZSA-N 2 0 266.385 1.667 10 0 CDAERP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423276427 359761867 /nfs/dbraw/zinc/76/18/67/359761867.db2.gz OMAYPOLUSNNLQY-XIRDDKMYSA-N 3 0 275.440 1.924 10 0 CDAERP C[C@H](NCC[N@H+]1[C@H](C)CCC[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422890481 299298135 /nfs/dbraw/zinc/29/81/35/299298135.db2.gz SKMQVGNANLWLPK-XGUBFFRZSA-N 2 0 253.434 1.979 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1 ZINC000423481978 359811977 /nfs/dbraw/zinc/81/19/77/359811977.db2.gz XBSYGKZPYDPSQI-UTUOFQBUSA-N 2 0 259.357 1.654 10 0 CDAERP C[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1CC1(C)C ZINC000423391415 299302116 /nfs/dbraw/zinc/30/21/16/299302116.db2.gz PKAXGYAPHBUFNY-QJPTWQEYSA-N 2 0 293.377 1.847 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000262333124 360055665 /nfs/dbraw/zinc/05/56/65/360055665.db2.gz YPYHRIPLBXBOSW-TUVASFSCSA-N 2 0 281.444 1.741 10 0 CDAERP O=C(NC1CC([NH+]2CCCCC2)C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000335479341 360336858 /nfs/dbraw/zinc/33/68/58/360336858.db2.gz MPJNYWQYFZTRMI-NRXISQOPSA-N 2 0 291.439 1.509 10 0 CDAERP C[C@H]1CC[C@H](NC(=O)NCCC[NH+]2CCCCC2)C[NH2+]1 ZINC000626925978 360643215 /nfs/dbraw/zinc/64/32/15/360643215.db2.gz VVSRAFKGOVZFHF-KBPBESRZSA-N 2 0 282.432 1.302 10 0 CDAERP C[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)[C@@H]1CCC[NH2+]C1 ZINC000635010493 360654638 /nfs/dbraw/zinc/65/46/38/360654638.db2.gz MOMIDRXHMSDWPF-UONOGXRCSA-N 3 0 273.424 1.810 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)c1ncnc(N)c1Cl ZINC000233469080 360842031 /nfs/dbraw/zinc/84/20/31/360842031.db2.gz MWGQWOZUEZEVGG-SECBINFHSA-N 2 0 269.780 1.633 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000389156131 361125510 /nfs/dbraw/zinc/12/55/10/361125510.db2.gz XJBBQNJELKQDTC-DZGCQCFKSA-N 2 0 271.449 1.007 10 0 CDAERP C[C@H]([NH2+]CCCC[NH+]1CCOCC1)C1CCOCC1 ZINC000158854534 361427254 /nfs/dbraw/zinc/42/72/54/361427254.db2.gz MEVICJZIQNKGFG-AWEZNQCLSA-N 2 0 270.417 1.504 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000448365809 363875149 /nfs/dbraw/zinc/87/51/49/363875149.db2.gz JUXDMSXVNULXGB-HNNXBMFYSA-N 2 0 286.379 1.778 10 0 CDAERP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2nccn2C)C[C@H](C)O1 ZINC000340437529 370758017 /nfs/dbraw/zinc/75/80/17/370758017.db2.gz ZSWRZNUICGWARS-OKILXGFUSA-N 2 0 280.416 1.399 10 0 CDAERP C[C@@H](CCNC(=O)N[C@H]1CC[NH2+]C[C@H]1C)[NH+]1CCCCC1 ZINC000418013828 364488752 /nfs/dbraw/zinc/48/87/52/364488752.db2.gz ZVMPQGFMDSLXOI-ILXRZTDVSA-N 2 0 296.459 1.548 10 0 CDAERP C[C@@H]1C[C@H](N2C[C@H]3C[NH2+]C[C@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000306668691 364625465 /nfs/dbraw/zinc/62/54/65/364625465.db2.gz GAHXJZWXWRTPAA-BGTYHANMSA-N 2 0 285.435 1.801 10 0 CDAERP C[C@@H]1C[C@@H](N(C)CC[C@@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000162017020 364570248 /nfs/dbraw/zinc/57/02/48/364570248.db2.gz TZKIZSMQZQCDKJ-ILXRZTDVSA-N 2 0 253.434 1.885 10 0 CDAERP C[C@@H](CC[NH+](C)C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000468091445 364710351 /nfs/dbraw/zinc/71/03/51/364710351.db2.gz HQKKVHFZSFWJCS-AVGNSLFASA-N 2 0 255.406 1.173 10 0 CDAERP Nc1cc[nH+]cc1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000187181374 364719653 /nfs/dbraw/zinc/71/96/53/364719653.db2.gz MQSSTICEPCYFJH-UHFFFAOYSA-N 2 0 274.368 1.268 10 0 CDAERP [NH3+][C@@H](C(=O)N1CCC2(CC[NH2+]2)CC1)c1cccc(Cl)c1 ZINC000643426019 364730871 /nfs/dbraw/zinc/73/08/71/364730871.db2.gz JGRYEDWQMAGELE-CYBMUJFWSA-N 2 0 293.798 1.694 10 0 CDAERP O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000250811155 296069323 /nfs/dbraw/zinc/06/93/23/296069323.db2.gz DIBHFRKATMCAOD-JJXSEGSLSA-N 2 0 291.439 1.604 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCC[NH2+]CC2)[C@H](C)C1 ZINC000641023540 364843954 /nfs/dbraw/zinc/84/39/54/364843954.db2.gz FTFZWVPXOCOGGW-ILXRZTDVSA-N 2 0 296.459 1.500 10 0 CDAERP CC[C@@H](Cn1cncn1)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000353381974 365172539 /nfs/dbraw/zinc/17/25/39/365172539.db2.gz GWCDWSRVHIFGOH-GJZGRUSLSA-N 2 0 279.432 1.768 10 0 CDAERP CN(CC[NH+](C)C)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000354501424 365514368 /nfs/dbraw/zinc/51/43/68/365514368.db2.gz DJKAWMGMYRYVEF-CYBMUJFWSA-N 2 0 255.406 1.271 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000136460246 482918800 /nfs/dbraw/zinc/91/88/00/482918800.db2.gz MCLCWBMNBAUQKJ-OLZOCXBDSA-N 2 0 253.390 1.057 10 0 CDAERP COC[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)C1CC1 ZINC000397988597 367000644 /nfs/dbraw/zinc/00/06/44/367000644.db2.gz ZQCVSMIUNIYZRM-MRXNPFEDSA-N 2 0 260.381 1.847 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCC[NH+](CC)C1 ZINC000174238458 367056436 /nfs/dbraw/zinc/05/64/36/367056436.db2.gz UPYQFNKEDDRDDQ-KBPBESRZSA-N 2 0 282.432 1.254 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000626976827 367120173 /nfs/dbraw/zinc/12/01/73/367120173.db2.gz QCPQZTXKFMNQIA-ZDUSSCGKSA-N 2 0 282.432 1.302 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000626965637 367100439 /nfs/dbraw/zinc/10/04/39/367100439.db2.gz JYUNQMRWVRBJFL-AVGNSLFASA-N 2 0 270.421 1.156 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1=CC[NH+](C)CC1 ZINC000357952142 367328205 /nfs/dbraw/zinc/32/82/05/367328205.db2.gz ZNFOIVJVKKSRNB-ZFWWWQNUSA-N 2 0 279.428 1.627 10 0 CDAERP C[C@]1(CN2CCC[N@@H+](C3CCCC3)CC2)CC[NH2+]C1 ZINC000261699410 291380323 /nfs/dbraw/zinc/38/03/23/291380323.db2.gz CFHJQJLEZHDONP-INIZCTEOSA-N 2 0 265.445 1.936 10 0 CDAERP CC1=CC[NH+](CCNC(=O)N[C@@H](C)C[N@H+](C)C(C)C)CC1 ZINC000357903877 367291337 /nfs/dbraw/zinc/29/13/37/367291337.db2.gz MBWIJPPOPINAKL-HNNXBMFYSA-N 2 0 296.459 1.666 10 0 CDAERP CCn1ccnc1[C@H](C)NC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627053146 367310576 /nfs/dbraw/zinc/31/05/76/367310576.db2.gz YSGWNIXKJWGOOL-SDDRHHMPSA-N 2 0 279.388 1.404 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1)C[NH+]1CCCCC1 ZINC000227794430 367428954 /nfs/dbraw/zinc/42/89/54/367428954.db2.gz PHOMHSSKDPACNA-MGPQQGTHSA-N 2 0 267.417 1.352 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000627110806 367461307 /nfs/dbraw/zinc/46/13/07/367461307.db2.gz LBIKMGFYVFVOIB-HNNXBMFYSA-N 2 0 290.411 1.299 10 0 CDAERP CC1=CC[N@H+](CCN[C@H]2CC[NH+]3CCC[C@@H]3C2)CC1 ZINC000358253996 367546769 /nfs/dbraw/zinc/54/67/69/367546769.db2.gz PIGVXAIJXBWSDI-JKSUJKDBSA-N 2 0 263.429 1.855 10 0 CDAERP C[C@H](CNC(=O)NCC[C@@H]1CCC[NH2+]C1)C[NH+]1CCCC1 ZINC000417157298 242339940 /nfs/dbraw/zinc/33/99/40/242339940.db2.gz MZYBHWRAKIEQMN-CABCVRRESA-N 2 0 296.459 1.407 10 0 CDAERP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCCC[NH3+])C1 ZINC000417048247 242291257 /nfs/dbraw/zinc/29/12/57/242291257.db2.gz REUVREBHBYMZDL-KBPBESRZSA-N 2 0 284.448 1.393 10 0 CDAERP C[C@H]1CC[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[NH2+]1 ZINC000627208860 367706261 /nfs/dbraw/zinc/70/62/61/367706261.db2.gz ZPQUFWYNWAMZRG-UKIXVXPJSA-N 2 0 280.416 1.051 10 0 CDAERP CC(C)[N@H+](C)CC1CCN(C(=O)C2=CC[C@H]([NH3+])C2)CC1 ZINC000638077357 368100603 /nfs/dbraw/zinc/10/06/03/368100603.db2.gz RQCVXZVSBLWROS-HNNXBMFYSA-N 2 0 279.428 1.613 10 0 CDAERP CC[C@@](C)(O)C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000123546602 368194962 /nfs/dbraw/zinc/19/49/62/368194962.db2.gz YARVNYFPINAIJU-UKRRQHHQSA-N 2 0 272.433 1.172 10 0 CDAERP CC(C)C[C@H](C[NH3+])NC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418447187 243087768 /nfs/dbraw/zinc/08/77/68/243087768.db2.gz INMQFESYTRSPKG-KGLIPLIRSA-N 2 0 278.400 1.359 10 0 CDAERP CC(C)CC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000638115279 368476150 /nfs/dbraw/zinc/47/61/50/368476150.db2.gz GJQGSAXERKEXBF-RDBSUJKOSA-N 2 0 267.417 1.445 10 0 CDAERP CCN(CCC[NH+](CC)CC)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000418575149 243228981 /nfs/dbraw/zinc/22/89/81/243228981.db2.gz MTXXGAIMHHAXMP-LSDHHAIUSA-N 2 0 298.475 1.748 10 0 CDAERP C[C@@H](NC(=O)N(C)CCC[NH+](C)C)C1=CC[N@H+](C)CC1 ZINC000542758696 368816851 /nfs/dbraw/zinc/81/68/51/368816851.db2.gz HPGRFEQQDODPAW-CYBMUJFWSA-N 2 0 282.432 1.230 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001661346120 1172374958 /nfs/dbraw/zinc/37/49/58/1172374958.db2.gz MYRUCSZDWFRKEX-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP CCOC1CC(O)(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000367596994 369194919 /nfs/dbraw/zinc/19/49/19/369194919.db2.gz KYMSZIPOPOCPPJ-ZHGALXRWSA-N 2 0 282.428 1.379 10 0 CDAERP CO[C@@H]1C[N@H+](CCCN2CC[NH+](C(C)C)CC2)CC[C@H]1C ZINC000249217682 370130923 /nfs/dbraw/zinc/13/09/23/370130923.db2.gz FLLHPYLGVXVYCH-IAGOWNOFSA-N 2 0 297.487 1.759 10 0 CDAERP COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CC1CC[NH2+]CC1 ZINC000262040353 284210321 /nfs/dbraw/zinc/21/03/21/284210321.db2.gz YFJJURSAVPUQOP-MJBXVCDLSA-N 2 0 266.385 1.260 10 0 CDAERP CC[C@H]([NH3+])CNC(=O)NCC1([NH3+])CCCCCC1 ZINC000418280840 370409263 /nfs/dbraw/zinc/40/92/63/370409263.db2.gz BQDMOEXGMBBYPF-NSHDSACASA-N 2 0 256.394 1.075 10 0 CDAERP [NH3+]C[C@@H]1CC[C@H](NC(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000418283795 370467426 /nfs/dbraw/zinc/46/74/26/370467426.db2.gz LIMCOAQLKKRSNY-OLZOCXBDSA-N 2 0 282.432 1.465 10 0 CDAERP [NH3+]C[C@H](NC(=O)NCC1([NH3+])CCCCCC1)C1CCCC1 ZINC000418284214 370468294 /nfs/dbraw/zinc/46/82/94/370468294.db2.gz MIBUPZALUWISCB-AWEZNQCLSA-N 2 0 296.459 1.855 10 0 CDAERP COC(=O)[C@H](CC(C)C)[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000567515976 371017372 /nfs/dbraw/zinc/01/73/72/371017372.db2.gz PIXRUVPNQHTJLW-OLZOCXBDSA-N 2 0 279.384 1.797 10 0 CDAERP CN(C[C@H](O)C[NH2+]C[C@H]1CC12CCSCC2)C1CC1 ZINC000567694430 371104523 /nfs/dbraw/zinc/10/45/23/371104523.db2.gz SSRNWJSOKXOUEQ-TZMCWYRMSA-N 2 0 284.469 1.564 10 0 CDAERP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCC[NH+](C)C ZINC000422776480 245243561 /nfs/dbraw/zinc/24/35/61/245243561.db2.gz DRYVEFSUTZMKEN-GOEBONIOSA-N 3 0 263.429 1.876 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCC[N@@H+]1CCCC[C@H]1C ZINC000422870395 245357505 /nfs/dbraw/zinc/35/75/05/245357505.db2.gz YSFYSTLYCFOEEJ-CBBWQLFWSA-N 2 0 269.433 1.203 10 0 CDAERP COc1nccnc1C[NH2+]CCc1cn2ccccc2n1 ZINC000295357411 371235554 /nfs/dbraw/zinc/23/55/54/371235554.db2.gz IXQHIOSFEFGSAI-UHFFFAOYSA-N 2 0 283.335 1.465 10 0 CDAERP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000166051572 371402418 /nfs/dbraw/zinc/40/24/18/371402418.db2.gz UBRYMEROBHQXRN-KBUPBQIOSA-N 2 0 281.444 1.469 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)CC1 ZINC000417386023 376206576 /nfs/dbraw/zinc/20/65/76/376206576.db2.gz FLCSHZVGRAPYAU-UKRRQHHQSA-N 2 0 296.459 1.487 10 0 CDAERP CC[NH+]1CCC([NH2+]C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC000573437865 371540723 /nfs/dbraw/zinc/54/07/23/371540723.db2.gz OKBSPSHNLRUJIM-INIZCTEOSA-N 2 0 280.387 1.803 10 0 CDAERP COc1cccc(N2CC[C@H](C[NH2+][C@H]3CCC[C@@H]3[NH3+])C2)c1 ZINC000422906776 245391124 /nfs/dbraw/zinc/39/11/24/245391124.db2.gz VRZZTAKOQUDTAS-COXVUDFISA-N 2 0 289.423 1.991 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000573722995 371638099 /nfs/dbraw/zinc/63/80/99/371638099.db2.gz PSRHYUPENHTPIU-HUUCEWRRSA-N 2 0 281.444 1.899 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171900953 372207530 /nfs/dbraw/zinc/20/75/30/372207530.db2.gz FYVYZQWKSDCYGT-LSDHHAIUSA-N 2 0 294.443 1.350 10 0 CDAERP C(C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)C[C@@H]1CCO1 ZINC000638668174 372274404 /nfs/dbraw/zinc/27/44/04/372274404.db2.gz JKZWCONOKWKECS-GOEBONIOSA-N 2 0 282.428 1.646 10 0 CDAERP C[C@@H](C(=O)N1CCO[C@@H](C[NH+](C)C)C1)[NH+]1CCCCCC1 ZINC000173643627 372510127 /nfs/dbraw/zinc/51/01/27/372510127.db2.gz IXVCJUFLSQSDOH-GJZGRUSLSA-N 2 0 297.443 1.040 10 0 CDAERP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333138394 205063838 /nfs/dbraw/zinc/06/38/38/205063838.db2.gz CQQSVEWUFWTESN-GJZGRUSLSA-N 2 0 296.459 1.692 10 0 CDAERP O=C(CC[NH2+][C@H]1CCC[NH2+]CC1)NC1CCCCC1 ZINC000333254251 205155740 /nfs/dbraw/zinc/15/57/40/205155740.db2.gz HLTGXOZZDOOFKJ-ZDUSSCGKSA-N 2 0 267.417 1.557 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000333369602 205262224 /nfs/dbraw/zinc/26/22/24/205262224.db2.gz MFPMDKPJMPOAIZ-HNNXBMFYSA-N 2 0 296.459 1.550 10 0 CDAERP COC(=O)[C@H](C)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000220930450 372984156 /nfs/dbraw/zinc/98/41/56/372984156.db2.gz NOQOHTHQWJKHIE-FRRDWIJNSA-N 2 0 254.374 1.212 10 0 CDAERP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000581438745 373012874 /nfs/dbraw/zinc/01/28/74/373012874.db2.gz ZQTHDWRUTPOHGT-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP CCOC(C[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1)OCC ZINC000184969319 373063398 /nfs/dbraw/zinc/06/33/98/373063398.db2.gz PLJCACVIBRHHBM-HNNXBMFYSA-N 2 0 299.459 1.097 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)CC[N@@H+]1C ZINC000341185635 373451043 /nfs/dbraw/zinc/45/10/43/373451043.db2.gz BOLIZSVLZNAYLZ-QLFBSQMISA-N 2 0 292.427 1.125 10 0 CDAERP CC[C@@H]1CN(CCC[NH+](CC)CC)CC[N@@H+]1CCOC ZINC000191484471 373498098 /nfs/dbraw/zinc/49/80/98/373498098.db2.gz AIOGWKWDQPFJIP-MRXNPFEDSA-N 2 0 285.476 1.761 10 0 CDAERP [NH3+]CCOCC[NH+]1CCC(Oc2ccccc2F)CC1 ZINC000631835909 373743599 /nfs/dbraw/zinc/74/35/99/373743599.db2.gz IDMPBNCJBWPQSZ-UHFFFAOYSA-N 2 0 282.359 1.644 10 0 CDAERP CC(C)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000109751150 374469597 /nfs/dbraw/zinc/46/95/97/374469597.db2.gz YFIJUZJSIKOICY-HNNXBMFYSA-N 2 0 253.434 1.744 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+]Cc2cc(C)no2)CC1 ZINC000631039725 374629961 /nfs/dbraw/zinc/62/99/61/374629961.db2.gz CCCSGYCOGVNWOQ-UHFFFAOYSA-N 2 0 266.389 1.100 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N[C@@H]1C[NH+](C(C)C)C[C@@H]1C ZINC000123700744 374710738 /nfs/dbraw/zinc/71/07/38/374710738.db2.gz VYJINJHIJQJWOE-LSDHHAIUSA-N 2 0 298.475 1.746 10 0 CDAERP Cc1nnsc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000383922505 541988274 /nfs/dbraw/zinc/98/82/74/541988274.db2.gz ZYIBFARPVWEINR-PHIMTYICSA-N 2 0 252.387 1.278 10 0 CDAERP C[C@H](CNC(=O)N[C@H]1CC[NH2+]C[C@@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000417009691 375716042 /nfs/dbraw/zinc/71/60/42/375716042.db2.gz KOEZYPCWQIIGGF-BARDWOONSA-N 2 0 296.459 1.404 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)C1 ZINC000417242022 375740872 /nfs/dbraw/zinc/74/08/72/375740872.db2.gz SQCMWRZFCHFREB-ZFWWWQNUSA-N 2 0 294.443 1.254 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@H]2CCC[N@@H+]2C)cc1 ZINC000417289784 375748519 /nfs/dbraw/zinc/74/85/19/375748519.db2.gz VGLIUDLEYOBZFV-IUODEOHRSA-N 2 0 290.411 1.600 10 0 CDAERP CCOCC[NH2+]C1CCC(NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001662113853 1172484912 /nfs/dbraw/zinc/48/49/12/1172484912.db2.gz VLGQIEFCZWMXHF-YMAMQOFZSA-N 2 0 299.459 1.380 10 0 CDAERP COC(=O)CCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062032343 375867934 /nfs/dbraw/zinc/86/79/34/375867934.db2.gz NYZDIDJXRMVYAP-UHFFFAOYSA-N 2 0 268.401 1.747 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CCC(CC[NH+](C)C)CC2)CC[N@@H+]1C ZINC000631282945 376064823 /nfs/dbraw/zinc/06/48/23/376064823.db2.gz CNRKGIMBDOPUCA-JKSUJKDBSA-N 2 0 295.471 1.907 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N2CCC[C@H]([NH2+]C)C2)CC1 ZINC000417391510 376317546 /nfs/dbraw/zinc/31/75/46/376317546.db2.gz NONYSIQSXVVRHQ-HNNXBMFYSA-N 2 0 296.459 1.502 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC000638975790 376323186 /nfs/dbraw/zinc/32/31/86/376323186.db2.gz PYDHKFHYVAENTA-AWEZNQCLSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)(C)[NH+]1CCC([NH2+]CC[C@H](O)C(F)F)CC1 ZINC000631697617 376474302 /nfs/dbraw/zinc/47/43/02/376474302.db2.gz NQAYVOKNOLDZIE-NSHDSACASA-N 2 0 264.360 1.855 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+]([C@@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC000631823473 376649101 /nfs/dbraw/zinc/64/91/01/376649101.db2.gz FPIIZPGREHBJRY-NMFUWQPSSA-N 2 0 277.412 1.199 10 0 CDAERP COc1ccccc1OCC[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631836558 376684762 /nfs/dbraw/zinc/68/47/62/376684762.db2.gz BNZCJKQGQGDSQD-CHWSQXEVSA-N 2 0 264.369 1.601 10 0 CDAERP C[C@H]1C[N@H+](CCCOCC(F)(F)F)C[C@@H]1C[NH3+] ZINC000631840959 376693110 /nfs/dbraw/zinc/69/31/10/376693110.db2.gz XFGIYZWTWXSEDC-UWVGGRQHSA-N 2 0 254.296 1.482 10 0 CDAERP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@H](C2CCC2)CC1 ZINC000631874121 376763873 /nfs/dbraw/zinc/76/38/73/376763873.db2.gz XRYAJUKYNYPYSX-LSDHHAIUSA-N 2 0 254.418 1.859 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNS(=O)(=O)CCC[NH+](C)C)cc1 ZINC000631907685 376800578 /nfs/dbraw/zinc/80/05/78/376800578.db2.gz QTSLOTQSRBQHEP-GFCCVEGCSA-N 2 0 299.440 1.077 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089457580 483080799 /nfs/dbraw/zinc/08/07/99/483080799.db2.gz NEVOZLXMDSHMFC-KGLIPLIRSA-N 2 0 267.417 1.162 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000246891178 377010094 /nfs/dbraw/zinc/01/00/94/377010094.db2.gz FCDWJQBJLKOPDC-QLFBSQMISA-N 2 0 296.459 1.643 10 0 CDAERP CC[NH+](CC)CCCN1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000249095515 377394020 /nfs/dbraw/zinc/39/40/20/377394020.db2.gz VIXSKGJIZITVHT-CABCVRRESA-N 2 0 271.449 1.105 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)CC[N@@H+]1C ZINC000632566536 377612666 /nfs/dbraw/zinc/61/26/66/377612666.db2.gz DWLCCGQPHXWIFE-REWJHTLYSA-N 2 0 267.417 1.316 10 0 CDAERP O=C(c1ccc2c(c1)C[NH2+]C2)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000632860056 377937754 /nfs/dbraw/zinc/93/77/54/377937754.db2.gz DXFNNDXZUFNVSQ-GOEBONIOSA-N 2 0 285.391 1.504 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N(C)C1CC([NH3+])C1 ZINC000417542242 377938315 /nfs/dbraw/zinc/93/83/15/377938315.db2.gz ZZQYAFTWOUWDHI-FEPKRQSRSA-N 2 0 282.432 1.380 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000193319558 378274009 /nfs/dbraw/zinc/27/40/09/378274009.db2.gz SJNITLWPAWJLOF-QWHCGFSZSA-N 2 0 255.406 1.447 10 0 CDAERP CC(C)C[NH+]1CCC(NC(=O)CC[C@H](C)[NH3+])CC1 ZINC000193294373 378287273 /nfs/dbraw/zinc/28/72/73/378287273.db2.gz RJTNIQLRIZKYDL-LBPRGKRZSA-N 2 0 255.406 1.350 10 0 CDAERP Cc1nccn1CCCC[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425553065 378483754 /nfs/dbraw/zinc/48/37/54/378483754.db2.gz STEWGAZMVMJADB-ZDUSSCGKSA-N 2 0 274.372 1.579 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+]3CCCC[C@H]23)CC[N@@H+]1C ZINC000633594394 378575326 /nfs/dbraw/zinc/57/53/26/378575326.db2.gz REXMUOBQSDPIRE-CAOSSQGBSA-N 2 0 293.455 1.850 10 0 CDAERP C[NH+](C)CCC[C@H]1C[N@H+](CCC[C@H]2CCOC2)CCO1 ZINC000662326542 412894985 /nfs/dbraw/zinc/89/49/85/412894985.db2.gz VRJZJLFNYLFPTC-HOTGVXAUSA-N 2 0 284.444 1.846 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000655922114 412926537 /nfs/dbraw/zinc/92/65/37/412926537.db2.gz ZXLYCUSPEBDULI-UWVGGRQHSA-N 2 0 296.337 1.002 10 0 CDAERP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662398436 412960374 /nfs/dbraw/zinc/96/03/74/412960374.db2.gz SCBWTWVOVWUHEZ-UWVGGRQHSA-N 2 0 280.372 1.210 10 0 CDAERP CCCN(CC[NH+](C)C)C[C@H]1Cc2ccccc2C[NH2+]1 ZINC000041681601 184551591 /nfs/dbraw/zinc/55/15/91/184551591.db2.gz QQEZUPREMOXHII-QGZVFWFLSA-N 2 0 275.440 1.975 10 0 CDAERP CCC1(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)COC1 ZINC000453381614 252308051 /nfs/dbraw/zinc/30/80/51/252308051.db2.gz RQIHLYIUHSNIAL-MCIONIFRSA-N 2 0 252.402 1.875 10 0 CDAERP COCCN1CCC[C@H]1C[NH2+][C@@H](C)CCCC[NH3+] ZINC000422700088 285038888 /nfs/dbraw/zinc/03/88/88/285038888.db2.gz GCMNMNGLDLMPER-KBPBESRZSA-N 2 0 257.422 1.204 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCCC2CC[NH2+]CC2)C1 ZINC000655968793 412980713 /nfs/dbraw/zinc/98/07/13/412980713.db2.gz FUMZUIWCCOMWHE-OKILXGFUSA-N 2 0 282.432 1.016 10 0 CDAERP CC(C)(C)[NH2+]CCNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653347301 412997791 /nfs/dbraw/zinc/99/77/91/412997791.db2.gz ZSAKSIREJRWITP-RYUDHWBXSA-N 2 0 253.390 1.021 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)N[C@@H](C)C[NH+](C)C)[C@H](C)C1 ZINC000512441404 254113666 /nfs/dbraw/zinc/11/36/66/254113666.db2.gz NVRBALSFKOKJMQ-HZSPNIEDSA-N 2 0 284.448 1.308 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)NCCC1CC[NH2+]CC1 ZINC000653349252 413022135 /nfs/dbraw/zinc/02/21/35/413022135.db2.gz HJELZASZBVYIBD-HNNXBMFYSA-N 2 0 281.444 1.757 10 0 CDAERP [NH3+]C1(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000662444736 413024936 /nfs/dbraw/zinc/02/49/36/413024936.db2.gz KWJGYBCOVPZQEK-UHFFFAOYSA-N 2 0 295.427 1.019 10 0 CDAERP CC[C@@H]([NH2+]C)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000662450074 413030000 /nfs/dbraw/zinc/03/00/00/413030000.db2.gz FQHUVJLIUSFXLP-FRRDWIJNSA-N 2 0 255.406 1.364 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H](Cc2ccc(F)cc2)C(N)=O)C1 ZINC000656127040 413040859 /nfs/dbraw/zinc/04/08/59/413040859.db2.gz JNKUKUVCFUKUKE-CFVMTHIKSA-N 2 0 293.386 1.152 10 0 CDAERP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000647034931 390370417 /nfs/dbraw/zinc/37/04/17/390370417.db2.gz KLHMXYLNQJIQKW-IHRRRGAJSA-N 2 0 285.407 1.409 10 0 CDAERP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000082287803 390838851 /nfs/dbraw/zinc/83/88/51/390838851.db2.gz WSMFQYDDHKHIBO-HNNXBMFYSA-N 2 0 275.396 1.572 10 0 CDAERP CC[N@H+](C)C[C@H]1CCN([C@@H](C(=O)OC)C2CC2)C1 ZINC000359614102 390936748 /nfs/dbraw/zinc/93/67/48/390936748.db2.gz XUNDWSQLMKADMR-DGCLKSJQSA-N 2 0 254.374 1.212 10 0 CDAERP O=C(N[C@@H]1CC[NH2+]C12CCCC2)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000648211555 390953721 /nfs/dbraw/zinc/95/37/21/390953721.db2.gz VBZFRFXFGUQXFO-HZPDHXFCSA-N 2 0 299.418 1.664 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C[C@H](O)C[NH+](C)C2CC2)[C@@H](C)C1 ZINC000336841754 285396978 /nfs/dbraw/zinc/39/69/78/285396978.db2.gz SHKPSJSKHOXNEV-IMJJTQAJSA-N 2 0 283.460 1.104 10 0 CDAERP C[NH+](C)C[C@@H]1CCCCN1C(=O)CC[C@H]1CCC[NH2+]1 ZINC000405008802 390968359 /nfs/dbraw/zinc/96/83/59/390968359.db2.gz CHTQVGFVNHSSJF-KGLIPLIRSA-N 2 0 267.417 1.461 10 0 CDAERP CC(C)Cn1ccnc1CN[C@H]1C[NH2+]C[C@H](C)C1 ZINC000647551481 390996591 /nfs/dbraw/zinc/99/65/91/390996591.db2.gz PRXHMUVCTYCFTD-CHWSQXEVSA-N 2 0 250.390 1.627 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2(C)OCCCO2)[C@@H]2CCC[C@@H]21 ZINC000367614728 390997211 /nfs/dbraw/zinc/99/72/11/390997211.db2.gz IAKYPMYHLMFXDF-IHRRRGAJSA-N 2 0 268.401 1.602 10 0 CDAERP C[NH+]1CCN(CCC[NH2+][C@@H]2CCC[C@H]3C[C@]32C)CC1 ZINC000337381406 391126860 /nfs/dbraw/zinc/12/68/60/391126860.db2.gz DPVARGAIHDGLOY-ARFHVFGLSA-N 2 0 265.445 1.792 10 0 CDAERP C[NH+](C)C1CC(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000647675008 391167670 /nfs/dbraw/zinc/16/76/70/391167670.db2.gz KOSCUELGCGYLJK-AVVWSFFYSA-N 2 0 293.455 1.992 10 0 CDAERP COC[C@@H](C)C[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000526995032 391242916 /nfs/dbraw/zinc/24/29/16/391242916.db2.gz GQWANRMEPRWRDF-ZDUSSCGKSA-N 2 0 279.384 1.495 10 0 CDAERP [NH3+]CCCNC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000418310739 391297178 /nfs/dbraw/zinc/29/71/78/391297178.db2.gz KKDFKCMLAOHHOM-KGLIPLIRSA-N 2 0 294.374 1.001 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000417322245 391351202 /nfs/dbraw/zinc/35/12/02/391351202.db2.gz FKSVFJDVXPFOKK-QPSCCSFWSA-N 2 0 296.459 1.404 10 0 CDAERP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000245978806 391365939 /nfs/dbraw/zinc/36/59/39/391365939.db2.gz PAFREQSICOCIHJ-TUUVXOQKSA-N 2 0 289.423 1.921 10 0 CDAERP COCC[N@@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@@H]21 ZINC000353504200 391393578 /nfs/dbraw/zinc/39/35/78/391393578.db2.gz QUHLUAILXFYQAW-QBPKDAKJSA-N 2 0 295.471 1.560 10 0 CDAERP CS[C@@H]1CC[C@H]1[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000425355388 391483235 /nfs/dbraw/zinc/48/32/35/391483235.db2.gz ONCPYECQDJUHTO-HUUCEWRRSA-N 2 0 285.501 1.744 10 0 CDAERP COCCN1CC[C@@H]([NH2+]CC[C@@H]2CCCOC2)C1 ZINC000527740523 391510459 /nfs/dbraw/zinc/51/04/59/391510459.db2.gz VBOKJDKIISYHQS-UONOGXRCSA-N 2 0 256.390 1.113 10 0 CDAERP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CC[C@@H]1CCCOC1 ZINC000527924761 391549510 /nfs/dbraw/zinc/54/95/10/391549510.db2.gz HNZHNGGJRMVLBY-IPYPFGDCSA-N 2 0 252.402 1.875 10 0 CDAERP CCN1CCN(C(=O)[C@H](C)[N@@H+]2CC(C)(C)C[C@H]2C)CC1 ZINC000412046731 391555715 /nfs/dbraw/zinc/55/57/15/391555715.db2.gz RKPHGWUNRRIADV-KGLIPLIRSA-N 2 0 281.444 1.659 10 0 CDAERP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CCCNC1=O ZINC000359520584 391600419 /nfs/dbraw/zinc/60/04/19/391600419.db2.gz BDCAKARKLLMXDO-MRXNPFEDSA-N 2 0 289.423 1.897 10 0 CDAERP c1ccc([C@H]([NH2+]C[C@H]2CC[NH2+]C2)[C@H]2CCOC2)cc1 ZINC000647992203 391701467 /nfs/dbraw/zinc/70/14/67/391701467.db2.gz RGNUGAIATJULFO-BPUTZDHNSA-N 2 0 260.381 1.963 10 0 CDAERP CCC[N@H+](CC(=O)NC)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000519831245 391713490 /nfs/dbraw/zinc/71/34/90/391713490.db2.gz VBLLRYXVKFRGFG-UHFFFAOYSA-N 2 0 275.396 1.290 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000418195791 391803160 /nfs/dbraw/zinc/80/31/60/391803160.db2.gz GNRRWGHMVUBLSA-IHRRRGAJSA-N 2 0 284.448 1.404 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2Cc3ccccc3[C@@H]2O)[C@@H](C)C1 ZINC000248119361 391915469 /nfs/dbraw/zinc/91/54/69/391915469.db2.gz NCZZFGNOYKPQLB-SJWGOKEGSA-N 2 0 274.408 1.965 10 0 CDAERP CC(C)[C@](C)(O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000248426669 391925526 /nfs/dbraw/zinc/92/55/26/391925526.db2.gz NKESRHJRKMVVEP-QLFBSQMISA-N 2 0 254.418 1.810 10 0 CDAERP CC(C)C[C@H]([NH3+])C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000649319129 392012274 /nfs/dbraw/zinc/01/22/74/392012274.db2.gz JROQSXGQCDZWRW-ZDUSSCGKSA-N 2 0 273.340 1.579 10 0 CDAERP CSCCC[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000439476413 392074227 /nfs/dbraw/zinc/07/42/27/392074227.db2.gz HGKRVNPZIGEANG-UHFFFAOYSA-N 2 0 299.484 1.414 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000649354266 392091167 /nfs/dbraw/zinc/09/11/67/392091167.db2.gz VCFUXTFCHFIUDE-BZUAXINKSA-N 2 0 293.455 1.851 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCn2cc(C)cn2)[C@H](C)C1 ZINC000336808900 392097927 /nfs/dbraw/zinc/09/79/27/392097927.db2.gz SKFJGIOXLGVJTL-HUUCEWRRSA-N 2 0 264.417 1.854 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@](C)(O)C1CCCCC1 ZINC000423077182 392321693 /nfs/dbraw/zinc/32/16/93/392321693.db2.gz LMCPDGKFYNYGRO-CABCVRRESA-N 2 0 272.433 1.661 10 0 CDAERP C[C@@H]1CCNC[C@@H]1[NH2+]C[C@H](CO)Cc1ccc(F)c(F)c1 ZINC000423070642 392314324 /nfs/dbraw/zinc/31/43/24/392314324.db2.gz GNSIGCAZQIKCAM-KFNAQCHYSA-N 2 0 298.377 1.703 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@](C)(O)C1CCCCC1 ZINC000423069959 392314796 /nfs/dbraw/zinc/31/47/96/392314796.db2.gz FMDWKFCHTDKRQI-HNKHHVNMSA-N 2 0 284.444 1.660 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCCC1CCOCC1 ZINC000423145638 392385966 /nfs/dbraw/zinc/38/59/66/392385966.db2.gz LTCINFQLYJMPPJ-AWEZNQCLSA-N 2 0 258.406 1.537 10 0 CDAERP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423190119 392430590 /nfs/dbraw/zinc/43/05/90/392430590.db2.gz RRHOHIHSKXEMOF-KGLIPLIRSA-N 2 0 253.434 1.696 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CC1([NH3+])CCCCCC1 ZINC000423200528 392437884 /nfs/dbraw/zinc/43/78/84/392437884.db2.gz MIMLBLBOFKYUDT-CYBMUJFWSA-N 3 0 257.422 1.382 10 0 CDAERP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)C1CC(F)(F)C1 ZINC000529550931 392480108 /nfs/dbraw/zinc/48/01/08/392480108.db2.gz QVNSYCDOLFHVQW-JTQLQIEISA-N 2 0 262.344 1.467 10 0 CDAERP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccc(-n2cncn2)cc1 ZINC000423361309 392541708 /nfs/dbraw/zinc/54/17/08/392541708.db2.gz ADDODGGWRCJOBE-DVOMOZLQSA-N 2 0 285.395 1.916 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1cccc2c1CCCN2 ZINC000423408350 392558185 /nfs/dbraw/zinc/55/81/85/392558185.db2.gz ADTSHJNLGYXBKI-AWEZNQCLSA-N 2 0 277.412 1.888 10 0 CDAERP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000646777238 392754389 /nfs/dbraw/zinc/75/43/89/392754389.db2.gz NPXFWUZHBOMPDM-GJZGRUSLSA-N 2 0 275.396 1.605 10 0 CDAERP Cn1cc(N2CCC[C@H]([NH2+][C@@H]3CCCCC[C@H]3[NH3+])C2)cn1 ZINC000517123092 392836573 /nfs/dbraw/zinc/83/65/73/392836573.db2.gz PUIYLLUFOIZBRM-NUEKZKHPSA-N 2 0 291.443 1.639 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+])C1CC1 ZINC000517367717 392878800 /nfs/dbraw/zinc/87/88/00/392878800.db2.gz RBZMKWXRJQDJFX-QLFBSQMISA-N 2 0 281.444 1.741 10 0 CDAERP CCC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)C1CC1)[NH+](C)C ZINC000132321990 393097652 /nfs/dbraw/zinc/09/76/52/393097652.db2.gz LINUPWIVHFDZOC-YPMHNXCESA-N 2 0 255.406 1.316 10 0 CDAERP CSC1(C[NH2+][C@@H]2CCC(=O)NC2(C)C)CC[NH+](C)CC1 ZINC000495021177 393157434 /nfs/dbraw/zinc/15/74/34/393157434.db2.gz XPDPTTNBTDHJHA-GFCCVEGCSA-N 2 0 299.484 1.461 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@H](O)[C@H]1C ZINC000648763649 393298113 /nfs/dbraw/zinc/29/81/13/393298113.db2.gz XGJUUDGYMDSONG-DOMZBBRYSA-N 2 0 272.352 1.531 10 0 CDAERP C[C@H](C[NH2+][C@H]1CCCSCC1)N1CC[NH+](C)CC1 ZINC000657873779 413066023 /nfs/dbraw/zinc/06/60/23/413066023.db2.gz VELLDXBZMQUADC-KGLIPLIRSA-N 2 0 271.474 1.498 10 0 CDAERP C[NH+](C)CC[C@H](NC(=O)NC/C=C/C[NH3+])C(C)(C)C ZINC000669487201 483270382 /nfs/dbraw/zinc/27/03/82/483270382.db2.gz OOJFICONUJHQHL-SYTKJHMZSA-N 2 0 270.421 1.167 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)CCc1ccco1 ZINC000234738649 140230134 /nfs/dbraw/zinc/23/01/34/140230134.db2.gz LRULZAGQBQSPLI-QWHCGFSZSA-N 2 0 254.374 1.944 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)CN1CCCCC1 ZINC000234748683 140230186 /nfs/dbraw/zinc/23/01/86/140230186.db2.gz PTKHCCCBGSMTCC-ZIAGYGMSSA-N 2 0 257.422 1.204 10 0 CDAERP CC(C)(C)CC[NH+]1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000236607098 140241305 /nfs/dbraw/zinc/24/13/05/140241305.db2.gz OXYHQGIPFIBNOU-KGLIPLIRSA-N 2 0 281.444 1.694 10 0 CDAERP CCC[C@](C)([NH3+])C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000251275403 140307768 /nfs/dbraw/zinc/30/77/68/140307768.db2.gz FROAJCYUVJUFQD-BZPMIXESSA-N 2 0 253.390 1.199 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251791603 140312740 /nfs/dbraw/zinc/31/27/40/140312740.db2.gz NLNINMKPZMFTQO-SDKNFDLMSA-N 2 0 291.439 1.602 10 0 CDAERP CC(C)[NH2+]CCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000252433478 140318234 /nfs/dbraw/zinc/31/82/34/140318234.db2.gz NIRRYHUFCLUOQW-INIZCTEOSA-N 2 0 261.413 1.973 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000252776667 140324481 /nfs/dbraw/zinc/32/44/81/140324481.db2.gz KNGBMVADLWTDBU-VNHYZAJKSA-N 2 0 265.401 1.214 10 0 CDAERP C[C@H]([NH3+])CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261552883 140346396 /nfs/dbraw/zinc/34/63/96/140346396.db2.gz SAEACRUQPOYQHF-DZGCQCFKSA-N 2 0 275.396 1.457 10 0 CDAERP C(C[C@H]1CCOC1)[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000261574278 140352292 /nfs/dbraw/zinc/35/22/92/140352292.db2.gz MRAYFRDMIWDWDT-YJNKXOJESA-N 2 0 252.402 1.923 10 0 CDAERP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000261659027 140370576 /nfs/dbraw/zinc/37/05/76/140370576.db2.gz GBWFYHSZWSBBOE-SYQHCUMBSA-N 2 0 267.417 1.480 10 0 CDAERP C[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@@H](C[NH3+])C1 ZINC000261734795 140382516 /nfs/dbraw/zinc/38/25/16/140382516.db2.gz HXXUDGKNOBJYPJ-XJKSGUPXSA-N 2 0 289.423 1.948 10 0 CDAERP COC[C@@H](CC(C)(C)C)[NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000656193396 413087648 /nfs/dbraw/zinc/08/76/48/413087648.db2.gz JTNWIBUNOSZKIL-ZIAGYGMSSA-N 2 0 299.459 1.225 10 0 CDAERP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656199977 413097370 /nfs/dbraw/zinc/09/73/70/413097370.db2.gz HRTZHZQBQKGOKH-SIXLDLHFSA-N 3 0 275.440 1.875 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656200401 413099359 /nfs/dbraw/zinc/09/93/59/413099359.db2.gz MIZORMNPGACRMJ-MQLXINIDSA-N 2 0 257.422 1.200 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000656201814 413101199 /nfs/dbraw/zinc/10/11/99/413101199.db2.gz ZSTXRAUTPXVQNK-BTFPBAQTSA-N 3 0 251.418 1.304 10 0 CDAERP CN(CC[N@H+](C)C1CC1)C(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662537512 413107636 /nfs/dbraw/zinc/10/76/36/413107636.db2.gz AJCOJLBUXBLAIP-MRXNPFEDSA-N 2 0 287.407 1.774 10 0 CDAERP CC(C)NC(=O)CC[N@@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000660474066 413151796 /nfs/dbraw/zinc/15/17/96/413151796.db2.gz WYRMLZUBFAKWBR-HNNXBMFYSA-N 2 0 297.443 1.088 10 0 CDAERP CC[NH+](CC)CCCNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654347070 413167585 /nfs/dbraw/zinc/16/75/85/413167585.db2.gz RFTJXUGKLIKNLV-OKILXGFUSA-N 2 0 284.448 1.358 10 0 CDAERP CC(C)[NH+](CCNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)C(C)C ZINC000654348127 413171391 /nfs/dbraw/zinc/17/13/91/413171391.db2.gz WIRJFAXKMDYAOA-GASCZTMLSA-N 2 0 298.475 1.745 10 0 CDAERP CCN(CC)[C@H](C)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647797001 397607194 /nfs/dbraw/zinc/60/71/94/397607194.db2.gz UJLCNNKYAGGHIK-KBUPBQIOSA-N 2 0 253.434 1.694 10 0 CDAERP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCCCC[C@H]1CCO ZINC000660495427 413172487 /nfs/dbraw/zinc/17/24/87/413172487.db2.gz JQHKSUVHVZPNDO-LSDHHAIUSA-N 2 0 272.433 1.315 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)COC1CCC([NH3+])CC1 ZINC000449104920 397759802 /nfs/dbraw/zinc/75/98/02/397759802.db2.gz GWJSKSMQUSRGKK-IYXRBSQSSA-N 2 0 285.432 1.119 10 0 CDAERP Cn1cncc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000388356920 397797098 /nfs/dbraw/zinc/79/70/98/397797098.db2.gz AVIYQGPLLLFBBE-RBSFLKMASA-N 2 0 262.401 1.821 10 0 CDAERP COC1(C[C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)CCC1 ZINC000429515091 292125821 /nfs/dbraw/zinc/12/58/21/292125821.db2.gz ATLRNIYLZUCNLP-KBPBESRZSA-N 2 0 270.417 1.380 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000386732998 398079203 /nfs/dbraw/zinc/07/92/03/398079203.db2.gz BOBSJRUTPCULQP-OAHLLOKOSA-N 2 0 277.412 1.608 10 0 CDAERP CC(C)(C)[NH+]1CCC([NH2+][C@@H](CO)C2CCC2)CC1 ZINC000658086737 413186482 /nfs/dbraw/zinc/18/64/82/413186482.db2.gz FHSHNKGOCFLSCF-AWEZNQCLSA-N 2 0 254.418 2.000 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1COC2(CCC2)C1 ZINC000658107727 413206714 /nfs/dbraw/zinc/20/67/14/413206714.db2.gz NTAROLCMELRPRS-LSDHHAIUSA-N 2 0 283.460 1.560 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@H]([NH+](C)C)C2)C1 ZINC000105174303 147215463 /nfs/dbraw/zinc/21/54/63/147215463.db2.gz QAFARQPPXYLEFZ-KBPBESRZSA-N 2 0 282.432 1.206 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000658107169 413207180 /nfs/dbraw/zinc/20/71/80/413207180.db2.gz KTCLSAVYZDYJII-SOUVJXGZSA-N 2 0 271.449 1.416 10 0 CDAERP C[C@H](CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)C1CC[NH2+]CC1 ZINC000178784290 148088691 /nfs/dbraw/zinc/08/86/91/148088691.db2.gz QUTJQMJWFPJGBJ-UKRRQHHQSA-N 2 0 279.428 1.319 10 0 CDAERP CCC[C@@H](C(=O)N1CC[C@H](C[NH+](C)C)C1)[NH+](C)C ZINC000179572674 148122532 /nfs/dbraw/zinc/12/25/32/148122532.db2.gz PETUOTBDKAYVEH-OLZOCXBDSA-N 2 0 255.406 1.127 10 0 CDAERP CC[C@@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@@H]1N1CCOCC1 ZINC000262012521 149000997 /nfs/dbraw/zinc/00/09/97/149000997.db2.gz VGXJXENGNNUOHF-CVEARBPZSA-N 2 0 281.444 1.029 10 0 CDAERP C[C@H]1C[C@@H](N(C)Cc2cnc(N)s2)CC[N@@H+]1C ZINC000262101893 149017636 /nfs/dbraw/zinc/01/76/36/149017636.db2.gz VQRZUWGRTPNUAA-UWVGGRQHSA-N 2 0 254.403 1.640 10 0 CDAERP COc1cc(C)nc(CNC[C@@H](C)C[NH+](C)C)c1 ZINC000310722431 149199100 /nfs/dbraw/zinc/19/91/00/149199100.db2.gz AVSLSUMEQWIUAF-LLVKDONJSA-N 2 0 251.374 1.686 10 0 CDAERP CC1CC[NH+](CCNC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000334883200 150029438 /nfs/dbraw/zinc/02/94/38/150029438.db2.gz ZPDXMGOFHWQJNM-CABCVRRESA-N 2 0 294.443 1.112 10 0 CDAERP [NH3+][C@H]1CCCCCC[C@H]1C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000335021020 150194484 /nfs/dbraw/zinc/19/44/84/150194484.db2.gz KBHTWKOLWBKJPM-KGLIPLIRSA-N 2 0 279.428 1.639 10 0 CDAERP CC1CC[NH+](CCNC(=O)N2CC[NH+]3CCC2CC3)CC1 ZINC000335801905 151031497 /nfs/dbraw/zinc/03/14/97/151031497.db2.gz PSGJNJKBEKWQIX-UHFFFAOYSA-N 2 0 294.443 1.208 10 0 CDAERP C[C@H]1CO[C@@H](CO)CN1Cc1cc(-n2ccnc2)cs1 ZINC000346162421 153078300 /nfs/dbraw/zinc/07/83/00/153078300.db2.gz GJHUMIHWGZQXAQ-WCQYABFASA-N 2 0 293.392 1.515 10 0 CDAERP C[C@H]1C[C@@H](C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)CCO1 ZINC000349062044 154042890 /nfs/dbraw/zinc/04/28/90/154042890.db2.gz LCMHWXGGOXCUIV-HOTGVXAUSA-N 2 0 297.487 1.759 10 0 CDAERP C[NH+](C)CCOCC[NH2+]Cc1cc(-c2cccnc2)n[nH]1 ZINC000349244869 154073801 /nfs/dbraw/zinc/07/38/01/154073801.db2.gz RVARHKQUBRPCSO-UHFFFAOYSA-N 2 0 289.383 1.140 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662693003 413323969 /nfs/dbraw/zinc/32/39/69/413323969.db2.gz MUYNMNWLIFCKDZ-CYBMUJFWSA-N 2 0 279.428 1.508 10 0 CDAERP [NH3+][C@@H](c1cn([C@H]2CC[NH2+]C2)nn1)c1ccc(Cl)cc1 ZINC000656468811 413327273 /nfs/dbraw/zinc/32/72/73/413327273.db2.gz TYVIFXDWRFVROJ-WCQYABFASA-N 2 0 277.759 1.514 10 0 CDAERP C[C@@H](C[NH+](C)C)NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000355626565 157152692 /nfs/dbraw/zinc/15/26/92/157152692.db2.gz PLDFKPVIGCOSAT-HSBZDZAISA-N 2 0 282.432 1.253 10 0 CDAERP C[C@@H](CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCC[NH2+]C1 ZINC000129420531 413354886 /nfs/dbraw/zinc/35/48/86/413354886.db2.gz IFYNGSUGQOCDAR-DRWKLNATSA-N 2 0 279.428 1.411 10 0 CDAERP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[NH+]2CCC1CC2 ZINC000356997215 157627044 /nfs/dbraw/zinc/62/70/44/157627044.db2.gz LOFDNRSEAUAZSU-GFCCVEGCSA-N 2 0 267.417 1.460 10 0 CDAERP CN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000362783107 159238491 /nfs/dbraw/zinc/23/84/91/159238491.db2.gz SUIHPAQZKFJJEZ-OAHLLOKOSA-N 2 0 279.428 1.413 10 0 CDAERP C[C@@H]1CN(C(=O)N2CCC3(CC[NH2+]C3)CC2)C[C@@]1(C)C[NH3+] ZINC000334954739 296820625 /nfs/dbraw/zinc/82/06/25/296820625.db2.gz FETQTKBIFOVFRB-UKRRQHHQSA-N 2 0 294.443 1.099 10 0 CDAERP C[C@@H]1CN(C(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])C[C@@]1(C)C[NH3+] ZINC000417844225 296867926 /nfs/dbraw/zinc/86/79/26/296867926.db2.gz RHTANAOSZPJCEI-AYRXBEOTSA-N 2 0 267.417 1.337 10 0 CDAERP CN1CCC([NH2+]Cc2ccccc2C[NH+](C)C)CC1 ZINC000020128566 171015145 /nfs/dbraw/zinc/01/51/45/171015145.db2.gz XIUXTIJZFPAZSR-UHFFFAOYSA-N 2 0 261.413 1.932 10 0 CDAERP COc1ccccc1[C@H](C[NH3+])N1CC[NH+](CC2CC2)CC1 ZINC000020179564 171044107 /nfs/dbraw/zinc/04/41/07/171044107.db2.gz ABAASFUXRWRFMW-INIZCTEOSA-N 2 0 289.423 1.723 10 0 CDAERP C[C@H]([NH3+])c1c(F)cccc1N1CCC[N@H+](C)CC1 ZINC000020217777 171081278 /nfs/dbraw/zinc/08/12/78/171081278.db2.gz KQKKVZWPXLRTOO-NSHDSACASA-N 2 0 251.349 1.987 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)c1coc(C[NH3+])c1 ZINC000653214429 412141671 /nfs/dbraw/zinc/14/16/71/412141671.db2.gz VAFKKRBFSJYZEK-UHFFFAOYSA-N 2 0 273.336 1.388 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000653214057 412141767 /nfs/dbraw/zinc/14/17/67/412141767.db2.gz FBVBYDGNVWZDCL-HOCLYGCPSA-N 2 0 273.380 1.022 10 0 CDAERP O=C(N1CCC[C@]2(CC[NH2+]C2)C1)C1([NH2+]C2CC2)CCC1 ZINC000662779153 413483889 /nfs/dbraw/zinc/48/38/89/413483889.db2.gz QBORFTDZGKGMQT-OAHLLOKOSA-N 2 0 277.412 1.263 10 0 CDAERP CC[N@H+](C)C[C@@H](O)C[NH2+]CC[C@@]1(C)CC1(F)F ZINC000656716314 413595699 /nfs/dbraw/zinc/59/56/99/413595699.db2.gz ULBPVQVTZRSJBP-QWRGUYRKSA-N 2 0 250.333 1.324 10 0 CDAERP CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C(C)C)[C@H]1CCCCO1 ZINC000660927013 413660979 /nfs/dbraw/zinc/66/09/79/413660979.db2.gz UZSRXLGZJAZTTM-SOUVJXGZSA-N 2 0 272.433 1.625 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)N(CC)[C@H]1CC[NH+](C)C1 ZINC000664921123 413730550 /nfs/dbraw/zinc/73/05/50/413730550.db2.gz USPSFYRAZXCJEI-CABCVRRESA-N 2 0 298.475 1.842 10 0 CDAERP [NH3+][C@@H]1CN(C(=O)NC2CC([NH+]3CCCCC3)C2)CC[C@H]1F ZINC000659489048 413878443 /nfs/dbraw/zinc/87/84/43/413878443.db2.gz CPQHTTGEXQNAOX-NWINJMCUSA-N 2 0 298.406 1.084 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659492964 413880870 /nfs/dbraw/zinc/88/08/70/413880870.db2.gz BNRVMGMNRHPPJL-DNOWBOINSA-N 2 0 282.432 1.240 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000659467822 413856324 /nfs/dbraw/zinc/85/63/24/413856324.db2.gz PEOWXUILZDJJTB-SGMGOOAPSA-N 2 0 282.432 1.284 10 0 CDAERP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000661204112 413885024 /nfs/dbraw/zinc/88/50/24/413885024.db2.gz DKGHPROGQLHXIY-KGLIPLIRSA-N 2 0 298.475 1.887 10 0 CDAERP CC(=O)NCc1ccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000665234331 413957463 /nfs/dbraw/zinc/95/74/63/413957463.db2.gz BDNFOSGBKSYXOO-NEPJUHHUSA-N 2 0 263.385 1.538 10 0 CDAERP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)[C@H]1CCOC1 ZINC000665235471 413964255 /nfs/dbraw/zinc/96/42/55/413964255.db2.gz WLJYQAVHYNFIDQ-DMRKSPOLSA-N 2 0 296.455 1.938 10 0 CDAERP C[C@@H](NC(=O)NCCCC[N@H+](C)C1CC1)c1nccn1C ZINC000661298366 413965794 /nfs/dbraw/zinc/96/57/94/413965794.db2.gz OPEJWUZJGZHBJO-GFCCVEGCSA-N 2 0 293.415 1.655 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000659620041 414029589 /nfs/dbraw/zinc/02/95/89/414029589.db2.gz YEYJXGHQVRWFJA-RRFJBIMHSA-N 2 0 296.459 1.391 10 0 CDAERP C[NH+](C)CCCC(C)(C)NC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000655132394 414084260 /nfs/dbraw/zinc/08/42/60/414084260.db2.gz MXORDECXTUFOOG-ZDUSSCGKSA-N 2 0 284.448 1.500 10 0 CDAERP OC1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCCC1 ZINC000657356033 414223856 /nfs/dbraw/zinc/22/38/56/414223856.db2.gz FNEUGRRDSUDERE-UHFFFAOYSA-N 2 0 272.352 1.662 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CC[NH+](C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000659877792 414211979 /nfs/dbraw/zinc/21/19/79/414211979.db2.gz KZCKSIPWDOUADB-MUJYYYPQSA-N 2 0 291.439 1.273 10 0 CDAERP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000663497760 414295706 /nfs/dbraw/zinc/29/57/06/414295706.db2.gz GAOYGFVDJJJXCB-CYBMUJFWSA-N 2 0 264.369 1.921 10 0 CDAERP C[C@@H]1C[C@H]([NH3+])CCN1Cc1nc2c(s1)C[NH2+]CC2 ZINC000663498761 414296521 /nfs/dbraw/zinc/29/65/21/414296521.db2.gz UAFANEMAAACKPL-NXEZZACHSA-N 2 0 266.414 1.100 10 0 CDAERP CNC(=O)C(C)(C)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657412705 414297922 /nfs/dbraw/zinc/29/79/22/414297922.db2.gz BSRZPLQTPYDFSI-UHFFFAOYSA-N 2 0 287.367 1.129 10 0 CDAERP CC[C@@H]1C[C@H]([NH2+]Cc2ccnc(OCC[NH+](C)C)c2)CO1 ZINC000657420152 414306195 /nfs/dbraw/zinc/30/61/95/414306195.db2.gz AYRXYNROIKGCPR-LSDHHAIUSA-N 2 0 293.411 1.679 10 0 CDAERP c1c(C[NH2+]CC2CC[NH+](C3CC3)CC2)nnn1C1CCC1 ZINC000657450074 414338131 /nfs/dbraw/zinc/33/81/31/414338131.db2.gz LPKHBYYRGJTICK-UHFFFAOYSA-N 2 0 289.427 1.967 10 0 CDAERP C[NH+]1CCN(CC[NH2+][C@H]2CCc3ccccc32)CC1 ZINC000037759729 173686178 /nfs/dbraw/zinc/68/61/78/173686178.db2.gz IIJKANXPOWKIID-INIZCTEOSA-N 2 0 259.397 1.511 10 0 CDAERP c1nc2c([nH]1)C[C@H]([NH2+]Cc1cc3n(n1)CCC3)CC2 ZINC000657470256 414368095 /nfs/dbraw/zinc/36/80/95/414368095.db2.gz OORJUAOXTMSHFY-SNVBAGLBSA-N 2 0 257.341 1.200 10 0 CDAERP CCN(C(=O)NC[C@@H](C)[NH+](CC)CC)[C@H]1CC[N@H+](C)C1 ZINC000663626714 414378131 /nfs/dbraw/zinc/37/81/31/414378131.db2.gz YZCWYXGHQCUWLW-KGLIPLIRSA-N 2 0 284.448 1.452 10 0 CDAERP C[C@H]1CC[C@@H](C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)O1 ZINC000657488416 414386901 /nfs/dbraw/zinc/38/69/01/414386901.db2.gz CMNZICSCTBUSLH-WFASDCNBSA-N 2 0 272.352 1.924 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)CN1CCC[C@]2(CCCOC2)C1 ZINC000659981062 414317720 /nfs/dbraw/zinc/31/77/20/414317720.db2.gz FVQXJAAQGSTEJI-HOTGVXAUSA-N 2 0 284.444 1.580 10 0 CDAERP CC(C)[N@@H+](Cc1ccccn1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662260512 414594914 /nfs/dbraw/zinc/59/49/14/414594914.db2.gz NUFHISGATDGUFT-OAHLLOKOSA-N 2 0 275.396 1.813 10 0 CDAERP C[N@@H+]1CC[C@H](NC[C@H]2C[NH2+]CCO2)[C@@H]1c1ccccc1 ZINC000662284721 414613254 /nfs/dbraw/zinc/61/32/54/414613254.db2.gz ZLXLLBMCIIEGNZ-PMPSAXMXSA-N 2 0 275.396 1.010 10 0 CDAERP Cc1ccc(C)c([C@H](C)[N@H+](C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000038030977 174023742 /nfs/dbraw/zinc/02/37/42/174023742.db2.gz HNZTZISTDAMEAM-HNNXBMFYSA-N 2 0 289.423 1.728 10 0 CDAERP C[NH+](C)CCC[C@H]1C[N@H+](C[C@H]2CCOC2)CCO1 ZINC000662320353 414638649 /nfs/dbraw/zinc/63/86/49/414638649.db2.gz BGVQCNUEXFTWOP-KGLIPLIRSA-N 2 0 256.390 1.066 10 0 CDAERP C[C@@H](c1cccnc1)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508143 174302905 /nfs/dbraw/zinc/30/29/05/174302905.db2.gz RVBTWYBFLREUJQ-DZGCQCFKSA-N 2 0 288.395 1.039 10 0 CDAERP O=C([C@H]1CCC[N@@H+]1C1CCCCCC1)N1CC[NH2+]CC1 ZINC000040508054 174302924 /nfs/dbraw/zinc/30/29/24/174302924.db2.gz FBBOEJGETQNBNS-OAHLLOKOSA-N 2 0 279.428 1.605 10 0 CDAERP CC[C@H](CC[NH3+])[N@@H+]1CCCN(c2cc(C)ncn2)CC1 ZINC000040726896 174387557 /nfs/dbraw/zinc/38/75/57/174387557.db2.gz WOGPRVHTXLZKMX-CQSZACIVSA-N 2 0 277.416 1.425 10 0 CDAERP CCCC[C@H]([NH3+])C(=O)NCC[NH+]1CCCCCC1 ZINC000040768316 174398583 /nfs/dbraw/zinc/39/85/83/174398583.db2.gz HAYGNLGAKPPJPO-ZDUSSCGKSA-N 2 0 255.406 1.496 10 0 CDAERP NC(=[NH2+])c1ccc(OCC[NH+]2CCC(CO)CC2)cc1 ZINC000041068667 174469323 /nfs/dbraw/zinc/46/93/23/174469323.db2.gz CGQSGJMDNWSOJP-UHFFFAOYSA-N 2 0 277.368 1.054 10 0 CDAERP CC[C@@H]([NH3+])[C@@H](c1ccccn1)N(C)C1CC[NH+](C)CC1 ZINC000043338859 175013317 /nfs/dbraw/zinc/01/33/17/175013317.db2.gz CRFVIPVMFOTJDY-ZBFHGGJFSA-N 2 0 276.428 1.886 10 0 CDAERP CC(C)C[N@H+](CCC[NH3+])[C@H](C)C(=O)N1CCCCC1 ZINC000043417396 175038173 /nfs/dbraw/zinc/03/81/73/175038173.db2.gz AJZJPOJILQEODG-CQSZACIVSA-N 2 0 269.433 1.694 10 0 CDAERP CC(C)C[N@H+](CCC[NH3+])CCOCC(F)(F)F ZINC000043417615 175038526 /nfs/dbraw/zinc/03/85/26/175038526.db2.gz AFCFVUBYUUWSDR-UHFFFAOYSA-N 2 0 256.312 1.872 10 0 CDAERP C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CC[C@@H]1CCCC[NH2+]1 ZINC000043498722 175058002 /nfs/dbraw/zinc/05/80/02/175058002.db2.gz YIOOUPSCBPGHBG-AVGNSLFASA-N 2 0 253.390 1.104 10 0 CDAERP CCC[NH2+][C@H]1CCC[C@@H]1N1CC[NH+](CCC)CC1 ZINC000043805622 175107682 /nfs/dbraw/zinc/10/76/82/175107682.db2.gz ZHVZYVXXTOKKBT-GJZGRUSLSA-N 2 0 253.434 1.935 10 0 CDAERP C[NH2+][C@H]1c2ccccc2CC[C@H]1N1CC[NH+](C)CC1 ZINC000043810619 175109382 /nfs/dbraw/zinc/10/93/82/175109382.db2.gz DUZZSGQBBHPURW-CVEARBPZSA-N 2 0 259.397 1.509 10 0 CDAERP C[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1OC ZINC000043810411 175109593 /nfs/dbraw/zinc/10/95/93/175109593.db2.gz GNEVJOYPUDUVNZ-CQSZACIVSA-N 2 0 263.385 1.203 10 0 CDAERP CCC[NH2+][C@H]1CCOC[C@H]1N(C)C1CC[NH+](C)CC1 ZINC000043850438 175115410 /nfs/dbraw/zinc/11/54/10/175115410.db2.gz DRISCIFUQAUEMG-LSDHHAIUSA-N 2 0 269.433 1.170 10 0 CDAERP CCC[NH2+][C@H]1CCOC[C@H]1N1CC[NH+](CC2CC2)CC1 ZINC000043968026 175128797 /nfs/dbraw/zinc/12/87/97/175128797.db2.gz BSSYRGVJYNUYJG-JKSUJKDBSA-N 2 0 281.444 1.171 10 0 CDAERP CC[NH+]1CCC(C[NH2+][C@H]2CN3CCC2CC3)CC1 ZINC000044517659 175190513 /nfs/dbraw/zinc/19/05/13/175190513.db2.gz BSVCHRSNJKSTDL-HNNXBMFYSA-N 2 0 251.418 1.402 10 0 CDAERP CC[C@@H]1CC[N@H+](CC2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000044526807 175192135 /nfs/dbraw/zinc/19/21/35/175192135.db2.gz ULBZDZABMFPTKD-OAHLLOKOSA-N 3 0 253.434 1.792 10 0 CDAERP C[C@@H]([NH2+]C[C@@H]1CCCCN1C)[C@@H]1CCC[N@H+](C)C1 ZINC000044561414 175204679 /nfs/dbraw/zinc/20/46/79/175204679.db2.gz BKCGVGZYGBDPJK-KFWWJZLASA-N 2 0 253.434 1.791 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(C[NH3+])cc1 ZINC000044563326 175206599 /nfs/dbraw/zinc/20/65/99/175206599.db2.gz DFSKKAXNVRHXRA-AWEZNQCLSA-N 2 0 261.369 1.359 10 0 CDAERP CCC[NH2+]CC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000044651266 175224991 /nfs/dbraw/zinc/22/49/91/175224991.db2.gz QPOFMQWSCPMEJE-CQSZACIVSA-N 2 0 263.385 1.405 10 0 CDAERP CC[C@H](C[NH3+])C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000044803563 175256189 /nfs/dbraw/zinc/25/61/89/175256189.db2.gz SBTJZRZIMKHSRO-CYBMUJFWSA-N 2 0 267.417 1.448 10 0 CDAERP CCCC(C[NH3+])(CCC)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000044808409 175256808 /nfs/dbraw/zinc/25/68/08/175256808.db2.gz UVRIEFBVWWBGDS-CQSZACIVSA-N 2 0 283.460 1.990 10 0 CDAERP CC[NH2+][C@@](C)(CCC[NH+]1CCCCCC1)C(N)=O ZINC000045377537 175366808 /nfs/dbraw/zinc/36/68/08/175366808.db2.gz ZLXYMZSOZCDULF-AWEZNQCLSA-N 2 0 255.406 1.496 10 0 CDAERP CCC[NH2+][C@](C)(CCCC[NH+]1CCCCC1)C(N)=O ZINC000045378270 175367671 /nfs/dbraw/zinc/36/76/71/175367671.db2.gz QPAMSIRUJVJQIH-OAHLLOKOSA-N 2 0 269.433 1.886 10 0 CDAERP CCC[NH2+][C@@](C)(CCC[N@H+](C)C1CCN(C)CC1)C(N)=O ZINC000045379356 175368449 /nfs/dbraw/zinc/36/84/49/175368449.db2.gz PPFASILFYYDLBP-INIZCTEOSA-N 2 0 298.475 1.036 10 0 CDAERP CC[NH2+][C@](C)(CCC[N@H+]1[C@H](C)CCC[C@@H]1C)C(N)=O ZINC000045379729 175369171 /nfs/dbraw/zinc/36/91/71/175369171.db2.gz IBJWZMPAIRWKAL-VNHYZAJKSA-N 2 0 269.433 1.883 10 0 CDAERP CC(C)[NH2+][C@@](C)(CCC[N@H+](C)C1CCCC1)C(N)=O ZINC000045384930 175372355 /nfs/dbraw/zinc/37/23/55/175372355.db2.gz USXPOCPEBCBHEM-HNNXBMFYSA-N 2 0 269.433 1.883 10 0 CDAERP CCC[NH2+][C@@](C)(CCC[N@H+](CC)C1CC1)C(N)=O ZINC000045386580 175373158 /nfs/dbraw/zinc/37/31/58/175373158.db2.gz CPCRCZSOVUTRLA-AWEZNQCLSA-N 2 0 255.406 1.495 10 0 CDAERP CC(C)[NH2+][C@](C)(CCCC[N@@H+]1CCOC(C)(C)C1)C(N)=O ZINC000045418701 175377393 /nfs/dbraw/zinc/37/73/93/175377393.db2.gz JVTNCCPUQVFZLY-MRXNPFEDSA-N 2 0 299.459 1.510 10 0 CDAERP CC[NH2+][C@](C)(CCC[N@H+](C)CCc1ccncc1)C(N)=O ZINC000045419842 175378163 /nfs/dbraw/zinc/37/81/63/175378163.db2.gz JUEZCQCYSVHGGY-MRXNPFEDSA-N 2 0 292.427 1.190 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000070317526 175887793 /nfs/dbraw/zinc/88/77/93/175887793.db2.gz LOYHSJVCQSRBTA-CYBMUJFWSA-N 2 0 255.406 1.352 10 0 CDAERP CCC[NH2+][C@H]1CCCN(C2CC[NH+](CCC)CC2)C1=O ZINC000071032031 176022904 /nfs/dbraw/zinc/02/29/04/176022904.db2.gz JZFUZYNFQYJXPT-HNNXBMFYSA-N 2 0 281.444 1.851 10 0 CDAERP C[NH+]1CCC(CN2CCC[C@@H]([NH2+]C3CC3)C2=O)CC1 ZINC000071035026 176024939 /nfs/dbraw/zinc/02/49/39/176024939.db2.gz VKULXGJLANMVIE-CQSZACIVSA-N 2 0 265.401 1.071 10 0 CDAERP C[C@@H]1CCC[C@@H](C)C1[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071148772 176044335 /nfs/dbraw/zinc/04/43/35/176044335.db2.gz CUOGGHFJYRQWAB-ZIAGYGMSSA-N 2 0 253.434 1.648 10 0 CDAERP C[C@H]1CCC[C@H](C)C1[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071148770 176044740 /nfs/dbraw/zinc/04/47/40/176044740.db2.gz CUOGGHFJYRQWAB-KBPBESRZSA-N 2 0 253.434 1.648 10 0 CDAERP Cc1c(N)cccc1NC(=O)CN(C)C[C@H]1CC[N@H+](C)C1 ZINC000071187671 176061051 /nfs/dbraw/zinc/06/10/51/176061051.db2.gz QMEMZXYRUZXHRF-ZDUSSCGKSA-N 2 0 290.411 1.399 10 0 CDAERP Cc1ccc([C@H](C[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)s1 ZINC000071187961 176061830 /nfs/dbraw/zinc/06/18/30/176061830.db2.gz UTJIFGZBNUYMMB-OLZOCXBDSA-N 2 0 267.442 1.940 10 0 CDAERP CN(C[C@H]1CC[N@H+](C)C1)[C@@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000071188574 176063375 /nfs/dbraw/zinc/06/33/75/176063375.db2.gz JNDWOCUJHFTTGI-JSGCOSHPSA-N 2 0 291.395 1.299 10 0 CDAERP CCC[NH2+][C@@H]1CCOC[C@H]1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189048 176065056 /nfs/dbraw/zinc/06/50/56/176065056.db2.gz ZNZCPPDZNGMGQV-RBSFLKMASA-N 2 0 269.433 1.027 10 0 CDAERP CC[C@]1(C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)CCC[NH2+]C1 ZINC000071189599 176065825 /nfs/dbraw/zinc/06/58/25/176065825.db2.gz MGPHVXVMAAQHII-HIFRSBDPSA-N 2 0 267.417 1.176 10 0 CDAERP C[NH2+]Cc1c(C)cc(C)nc1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191640 176069587 /nfs/dbraw/zinc/06/95/87/176069587.db2.gz KWJLTJKNPMFPHJ-CQSZACIVSA-N 2 0 276.428 1.806 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192322 176073744 /nfs/dbraw/zinc/07/37/44/176073744.db2.gz QQEAUTWIWZOMII-HUUCEWRRSA-N 2 0 255.450 1.894 10 0 CDAERP CC(C)[NH2+][C@@H]1CCN(CC[N@H+](C)C2CCCC2)C1 ZINC000071199885 176077380 /nfs/dbraw/zinc/07/73/80/176077380.db2.gz OPFGGRLJORVEIN-CQSZACIVSA-N 2 0 253.434 1.933 10 0 CDAERP CCC[NH2+][C@@H]1CCCN([C@@H](C)C[NH+]2CCCC2)C1 ZINC000071201234 176077492 /nfs/dbraw/zinc/07/74/92/176077492.db2.gz WGFOJXRDIASFPR-LSDHHAIUSA-N 2 0 253.434 1.935 10 0 CDAERP CCC[NH2+][C@@H]1CCCN(C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000071200655 176077545 /nfs/dbraw/zinc/07/75/45/176077545.db2.gz RESUUEIEFPXJRI-HUUCEWRRSA-N 2 0 253.434 1.792 10 0 CDAERP C[NH+](C)[C@H]1CCN(Cc2ccc(F)cc2C(N)=[NH2+])C1 ZINC000071268048 176101559 /nfs/dbraw/zinc/10/15/59/176101559.db2.gz VNCYJXACPLBNNM-LBPRGKRZSA-N 2 0 264.348 1.246 10 0 CDAERP C[C@H]([NH3+])[C@H](c1cccs1)N1CC[NH+](CC(C)(C)O)CC1 ZINC000071380223 176144310 /nfs/dbraw/zinc/14/43/10/176144310.db2.gz SMDGXNQGUOGMNU-GXTWGEPZSA-N 2 0 297.468 1.525 10 0 CDAERP CC[C@@H](CC[NH3+])CCC(=O)NCCCC[NH+](C)C ZINC000079212758 177447971 /nfs/dbraw/zinc/44/79/71/177447971.db2.gz UQZXZMYIZVLPMK-CYBMUJFWSA-N 2 0 257.422 1.600 10 0 CDAERP Cc1cc(NC[C@H]2C[NH2+]CCCO2)c2ccccc2[nH+]1 ZINC000390216162 262158030 /nfs/dbraw/zinc/15/80/30/262158030.db2.gz MKMZTUZOALUPKZ-CYBMUJFWSA-N 2 0 271.364 1.756 10 0 CDAERP COCCOc1cccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000414955222 263160257 /nfs/dbraw/zinc/16/02/57/263160257.db2.gz MAHWYLRILQHTGX-BBRMVZONSA-N 2 0 278.396 1.799 10 0 CDAERP C[C@@H]1CC2(C[N@@H+]1Cc1nc(N(C)C)no1)CC[NH2+]CC2 ZINC000662282220 423876183 /nfs/dbraw/zinc/87/61/83/423876183.db2.gz DNKDZDXRCSKAQD-LLVKDONJSA-N 2 0 279.388 1.100 10 0 CDAERP C[NH2+]CCCNC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659505282 423822963 /nfs/dbraw/zinc/82/29/63/423822963.db2.gz LGKRDOAFIMMMKL-AWEZNQCLSA-N 2 0 282.432 1.017 10 0 CDAERP CN(C)c1ncc(C[NH+]2CCC(C3(O)CC3)CC2)n1C ZINC000651877639 423843956 /nfs/dbraw/zinc/84/39/56/423843956.db2.gz ZQBXDRLWJDFFTA-UHFFFAOYSA-N 2 0 278.400 1.223 10 0 CDAERP CC(C)NC(=O)[C@@H]1CCC[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000663502240 423895650 /nfs/dbraw/zinc/89/56/50/423895650.db2.gz GFCHBJYEWIZUPC-SOUVJXGZSA-N 2 0 281.444 1.611 10 0 CDAERP O=C(NCCC1CC[NH2+]CC1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000653267242 423959289 /nfs/dbraw/zinc/95/92/89/423959289.db2.gz MXYNIRZLIQSXCJ-ZNMIVQPWSA-N 2 0 279.428 1.413 10 0 CDAERP [NH3+]C[C@@H](NC(=O)[C@H]([NH3+])CC1CCCCC1)C(F)(F)F ZINC000655517456 424193589 /nfs/dbraw/zinc/19/35/89/424193589.db2.gz CHMGLHUSYPRBQZ-NXEZZACHSA-N 2 0 281.322 1.290 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662681076 424303832 /nfs/dbraw/zinc/30/38/32/424303832.db2.gz TVVDNUWHDUDSAW-CYBMUJFWSA-N 2 0 279.428 1.639 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000664718709 424325365 /nfs/dbraw/zinc/32/53/65/424325365.db2.gz IGNRIUHHKFORJL-XJKSGUPXSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@@H]1CN(C(=O)c2ccccc2CC[NH3+])CC[C@@H]1[NH3+] ZINC000653135074 424348895 /nfs/dbraw/zinc/34/88/95/424348895.db2.gz RYKQRXCWSDJNKI-DOMZBBRYSA-N 2 0 275.396 1.387 10 0 CDAERP C[NH2+]C[C@H]1CCCN(C(=O)NCC[C@@H]([NH3+])C(C)C)C1 ZINC000659619814 424414454 /nfs/dbraw/zinc/41/44/54/424414454.db2.gz UUFJPHBNZDDGSJ-CHWSQXEVSA-N 2 0 270.421 1.001 10 0 CDAERP O=C(C[C@H]1CC[NH2+]C1)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000662835364 424518277 /nfs/dbraw/zinc/51/82/77/424518277.db2.gz MMCNSQSNPKJGQE-RDBSUJKOSA-N 2 0 265.401 1.119 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655482491 424478336 /nfs/dbraw/zinc/47/83/36/424478336.db2.gz XTOUHHGTTKDRPR-GDBMZVCRSA-N 2 0 281.444 1.470 10 0 CDAERP CCOC(=O)CC(C)(C)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000839065391 687102769 /nfs/dbraw/zinc/10/27/69/687102769.db2.gz ZQEAFFMLSSHAFT-BETUJISGSA-N 2 0 268.401 1.459 10 0 CDAERP CC[NH+](CC)CCC[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000338592602 279100470 /nfs/dbraw/zinc/10/04/70/279100470.db2.gz PBERDOPXPAPOMS-LBPRGKRZSA-N 2 0 255.406 1.365 10 0 CDAERP CC[NH+](CC)CCC[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000191484945 270290770 /nfs/dbraw/zinc/29/07/70/270290770.db2.gz AEBTVOPCINRENX-MRXNPFEDSA-N 3 0 299.503 1.743 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc(CO)ccc3F)C[C@H]21 ZINC000530217859 271160405 /nfs/dbraw/zinc/16/04/05/271160405.db2.gz INFOYYXYAAGWIM-JGGQBBKZSA-N 2 0 278.371 1.877 10 0 CDAERP CC(C)[C@H](Cn1cccn1)[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000423397888 275702095 /nfs/dbraw/zinc/70/20/95/275702095.db2.gz ONVDXOFHSYPPEW-RDBSUJKOSA-N 2 0 250.390 1.495 10 0 CDAERP CC1(C)OCC[C@H]1[NH2+]C/C=C\C[NH2+][C@H]1CCOC1(C)C ZINC000451246918 275881765 /nfs/dbraw/zinc/88/17/65/275881765.db2.gz WXEBPYQQQZBKIU-YOQOKRQFSA-N 2 0 282.428 1.857 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[NH+](C2CC2)C[C@H]1C ZINC000342468323 276007352 /nfs/dbraw/zinc/00/73/52/276007352.db2.gz SKNZKGWYNRBXBM-VHDGCEQUSA-N 2 0 279.428 1.460 10 0 CDAERP CCC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353528997 276052455 /nfs/dbraw/zinc/05/24/55/276052455.db2.gz OWUHRBMXMFYKIY-TUVASFSCSA-N 2 0 254.418 2.000 10 0 CDAERP CC[C@H]([NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1)C(=O)NC ZINC000423160106 276640403 /nfs/dbraw/zinc/64/04/03/276640403.db2.gz GWONJVVKJFNHDC-UPJWGTAASA-N 2 0 255.406 1.411 10 0 CDAERP CC1(C)COC[C@@H]1[NH2+]CCC[NH2+][C@@H]1COCC1(C)C ZINC000451813699 278355438 /nfs/dbraw/zinc/35/54/38/278355438.db2.gz RSXDILOOOYIDGR-BETUJISGSA-N 2 0 270.417 1.406 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)[C@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000036135347 279257689 /nfs/dbraw/zinc/25/76/89/279257689.db2.gz HHSHRDJOGQTWNB-VNQPRFMTSA-N 2 0 293.455 1.850 10 0 CDAERP CC[NH+]1CCC(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000070576883 279261611 /nfs/dbraw/zinc/26/16/11/279261611.db2.gz HJMWAUZWSCQZBX-RYUDHWBXSA-N 2 0 253.390 1.104 10 0 CDAERP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCC[NH+]1CCCC[C@@H]1C ZINC000357040392 279367431 /nfs/dbraw/zinc/36/74/31/279367431.db2.gz CSWNBPFGNGWCNO-CABCVRRESA-N 2 0 298.475 1.889 10 0 CDAERP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@@](C)(O)C(C)C)C2)CC1 ZINC000248542304 279369420 /nfs/dbraw/zinc/36/94/20/279369420.db2.gz CJIZIKQQYRERMU-HZPDHXFCSA-N 2 0 283.460 1.105 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCC[NH+]1CCCC[C@H]1C ZINC000357041313 279379664 /nfs/dbraw/zinc/37/96/64/279379664.db2.gz CSWNBPFGNGWCNO-LSDHHAIUSA-N 2 0 298.475 1.889 10 0 CDAERP CC[NH+](CC)CCNC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000246423993 280278878 /nfs/dbraw/zinc/27/88/78/280278878.db2.gz MAAAHRWBAMNNSP-LSDHHAIUSA-N 2 0 298.475 1.700 10 0 CDAERP CC[C@@H]1CN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC[N@@H+]1CCOC ZINC000261704604 280351099 /nfs/dbraw/zinc/35/10/99/280351099.db2.gz IQSSNUCHXINBGK-RRFJBIMHSA-N 2 0 297.443 1.073 10 0 CDAERP CO[C@@H](C)C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000248420763 280356273 /nfs/dbraw/zinc/35/62/73/280356273.db2.gz LYTCZFOBUGYUKD-OLZOCXBDSA-N 2 0 258.406 1.046 10 0 CDAERP C[C@H]([NH2+]C[C@H]1CCCCN1CCO)[C@@H]1C[C@H]1C1CC1 ZINC000527713116 281175288 /nfs/dbraw/zinc/17/52/88/281175288.db2.gz KISGUXBCHFUQBB-UKMLZYKCSA-N 2 0 266.429 1.857 10 0 CDAERP CC1(C)NC(=O)CC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000338776615 281386864 /nfs/dbraw/zinc/38/68/64/281386864.db2.gz VFVZHDFHONFWKI-XQQFMLRXSA-N 2 0 265.401 1.260 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)N2CCC(C[NH3+])CC2)CC1 ZINC000417909725 289101123 /nfs/dbraw/zinc/10/11/23/289101123.db2.gz DEHSUCHJSPBLRD-UHFFFAOYSA-N 2 0 296.459 1.487 10 0 CDAERP C[C@H](CC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+])C1CC[NH2+]CC1 ZINC000261717863 289418475 /nfs/dbraw/zinc/41/84/75/289418475.db2.gz GTBUNLZLLVZZTF-UMVBOHGHSA-N 2 0 281.444 1.598 10 0 CDAERP C[C@H](N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)C1C[NH2+]C1 ZINC000423009684 290016502 /nfs/dbraw/zinc/01/65/02/290016502.db2.gz DJRYIYWNGWTZKJ-APHBMKBZSA-N 2 0 259.397 1.629 10 0 CDAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C[NH+]1CCCC1 ZINC000553334639 290113907 /nfs/dbraw/zinc/11/39/07/290113907.db2.gz XLCNAAQGURGBNQ-UONOGXRCSA-N 2 0 267.417 1.176 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@](C)(O)C2CC2)[C@@H]2CCC[C@@H]21 ZINC000353521010 290221084 /nfs/dbraw/zinc/22/10/84/290221084.db2.gz QUTSBGJVQKMJDT-AJNGGQMLSA-N 2 0 252.402 1.610 10 0 CDAERP CN1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CCC1=O ZINC000250653451 290309551 /nfs/dbraw/zinc/30/95/51/290309551.db2.gz XGJOAMMEUBBIRT-XJFOESAGSA-N 2 0 265.401 1.118 10 0 CDAERP CC[N@@H+]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)[C@H](C)C1 ZINC000557527014 290350081 /nfs/dbraw/zinc/35/00/81/290350081.db2.gz IGVWXOZYMQVOHF-CQSZACIVSA-N 2 0 290.411 1.461 10 0 CDAERP C[C@H]1CCCN(C(=O)c2ccc(C[NH3+])cc2)[C@@H]1C[NH3+] ZINC000131911374 290434325 /nfs/dbraw/zinc/43/43/25/290434325.db2.gz MCTPFQCSNZVCDL-SMDDNHRTSA-N 2 0 261.369 1.345 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN[C@H]1CC[NH2+]C1(C)C ZINC000560972052 293042013 /nfs/dbraw/zinc/04/20/13/293042013.db2.gz GXLJJNWCZFQMKZ-HNNXBMFYSA-N 2 0 285.395 1.806 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000561259462 293069886 /nfs/dbraw/zinc/06/98/86/293069886.db2.gz PNGSLENULKPOCP-GJZGRUSLSA-N 2 0 279.428 1.273 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H]2CCOC2(C)C)CC1 ZINC000562707141 293179594 /nfs/dbraw/zinc/17/95/94/293179594.db2.gz ISXKKVINLCJJFO-AWEZNQCLSA-N 2 0 297.443 1.133 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)CC[NH2+]C2CC2)cc1 ZINC000568235386 293994073 /nfs/dbraw/zinc/99/40/73/293994073.db2.gz NJCUYASPWCBDML-NSHDSACASA-N 2 0 261.369 1.465 10 0 CDAERP C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@]1(C)C[NH3+] ZINC000570278965 294208262 /nfs/dbraw/zinc/20/82/62/294208262.db2.gz VZZUOQJXKOANGE-CXAGYDPISA-N 2 0 289.423 1.805 10 0 CDAERP C[C@H](CCC(C)(C)C)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000570561970 294261426 /nfs/dbraw/zinc/26/14/26/294261426.db2.gz ABUMQJHHOKSZFQ-GFCCVEGCSA-N 2 0 255.406 1.223 10 0 CDAERP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000571047623 294358549 /nfs/dbraw/zinc/35/85/49/294358549.db2.gz FPMJFOLZCISDDU-NWDGAFQWSA-N 2 0 276.384 1.347 10 0 CDAERP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000571047622 294359022 /nfs/dbraw/zinc/35/90/22/294359022.db2.gz FPMJFOLZCISDDU-NEPJUHHUSA-N 2 0 276.384 1.347 10 0 CDAERP C[C@H]1CCC[C@@](CNC(=O)[C@@H]2CCC[NH2+]C2)([NH+](C)C)C1 ZINC000040670466 299875873 /nfs/dbraw/zinc/87/58/73/299875873.db2.gz KPJOARUZGUZNEI-SQWLQELKSA-N 2 0 281.444 1.613 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC1(O)Cc2ccccc2C1 ZINC000573475907 294826259 /nfs/dbraw/zinc/82/62/59/294826259.db2.gz CBFHXCUCVLQUKE-GJZGRUSLSA-N 2 0 260.381 1.233 10 0 CDAERP Nc1cc[nH+]cc1C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000574085968 294942734 /nfs/dbraw/zinc/94/27/34/294942734.db2.gz JQLYJTSZVOGQTQ-AWEZNQCLSA-N 2 0 274.368 1.098 10 0 CDAERP COc1ccc([C@H](NC[C@H](C)C[NH3+])[C@@H]2CCC[NH2+]2)cc1 ZINC000423300284 295245253 /nfs/dbraw/zinc/24/52/53/295245253.db2.gz DGCRSBTYWKLLBV-KCXAZCMYSA-N 2 0 277.412 1.673 10 0 CDAERP [NH3+]C[C@H](NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)C1CC1 ZINC000333865969 295262585 /nfs/dbraw/zinc/26/25/85/295262585.db2.gz SYFBWASZEIZAEN-CABCVRRESA-N 2 0 294.443 1.384 10 0 CDAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCCCCC[NH+]1CCCC1 ZINC000418213460 300000264 /nfs/dbraw/zinc/00/02/64/300000264.db2.gz HOZXCGHSQHWOLO-GJZGRUSLSA-N 2 0 296.459 1.550 10 0 CDAERP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000335906731 300413916 /nfs/dbraw/zinc/41/39/16/300413916.db2.gz RYGZYMYPWREPIB-STQMWFEESA-N 2 0 287.407 1.184 10 0 CDAERP [NH3+][C@H](CNC(=O)NCCC[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000418455446 303480632 /nfs/dbraw/zinc/48/06/32/303480632.db2.gz RSIQFQKJHDXOOG-LSDHHAIUSA-N 2 0 290.411 1.518 10 0 CDAERP C[C@@H](C[NH2+]CCC(C)(C)C)NC(=O)CCC[NH+](C)C ZINC001669649522 1173580060 /nfs/dbraw/zinc/58/00/60/1173580060.db2.gz NNODGSVORQTNPH-ZDUSSCGKSA-N 2 0 271.449 1.859 10 0 CDAERP CC[NH2+]CC1CCN(C(=O)COC2CCC([NH3+])CC2)CC1 ZINC000566199834 316512605 /nfs/dbraw/zinc/51/26/05/316512605.db2.gz AUUOBLMQYDUVDM-UHFFFAOYSA-N 2 0 297.443 1.121 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)NC(=O)c1ccccc1OCC[NH+](C)C ZINC000566296091 316546288 /nfs/dbraw/zinc/54/62/88/316546288.db2.gz PBSCTFGZZOPKBS-STQMWFEESA-N 2 0 293.411 1.483 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NCC[C@@H]2CCC[NH+](C)C2)C1 ZINC000576171671 317091046 /nfs/dbraw/zinc/09/10/46/317091046.db2.gz TWJIFPQLVQHQDQ-KGLIPLIRSA-N 2 0 267.417 1.176 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@H](C)C[C@H](C)[NH3+])cc1 ZINC000577392061 317322931 /nfs/dbraw/zinc/32/29/31/317322931.db2.gz LCNZRPFZSNBRBG-QJPTWQEYSA-N 2 0 278.400 1.631 10 0 CDAERP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@]1(C)CCCC[NH2+]1 ZINC000180990253 323224602 /nfs/dbraw/zinc/22/46/02/323224602.db2.gz DLXYBSDXZPJOTB-HIFRSBDPSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1cn[nH]c1 ZINC000379588197 323602514 /nfs/dbraw/zinc/60/25/14/323602514.db2.gz OBSHRUOEMYZGEB-GXTWGEPZSA-N 2 0 250.390 1.853 10 0 CDAERP CNC(=O)C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000578882366 324048297 /nfs/dbraw/zinc/04/82/97/324048297.db2.gz KLDYNGBRSWYKNE-KFWWJZLASA-N 2 0 275.396 1.723 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000579368609 324170643 /nfs/dbraw/zinc/17/06/43/324170643.db2.gz HMRLZFLTPJOESP-ZFWWWQNUSA-N 2 0 273.380 1.012 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CC[NH2+]1 ZINC000580429403 324460671 /nfs/dbraw/zinc/46/06/71/324460671.db2.gz CEEWNJXHIAQLAX-SWHYSGLUSA-N 2 0 279.359 1.125 10 0 CDAERP COC(=O)C1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000580839162 324576334 /nfs/dbraw/zinc/57/63/34/324576334.db2.gz NKAKJOGKWUSITP-UHFFFAOYSA-N 2 0 288.391 1.717 10 0 CDAERP CC(C)COC[C@H](O)C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000582840808 325054319 /nfs/dbraw/zinc/05/43/19/325054319.db2.gz MPNJEFLBTHQPNV-OAHLLOKOSA-N 2 0 277.368 1.457 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](NC(=O)CN2CC(C)(C)C2)C1 ZINC000583640513 325214144 /nfs/dbraw/zinc/21/41/44/325214144.db2.gz MVWMYRZGSUSKPT-ZDUSSCGKSA-N 2 0 267.417 1.317 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]CC=C(C)C)C1 ZINC001691473008 1159332729 /nfs/dbraw/zinc/33/27/29/1159332729.db2.gz JUFJJVOPYIKTEE-GASCZTMLSA-N 2 0 281.444 1.779 10 0 CDAERP CN(CC[NH2+]CCC1CC1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001267415755 1159373953 /nfs/dbraw/zinc/37/39/53/1159373953.db2.gz UIAVWFWYOCSXJU-AWEZNQCLSA-N 2 0 267.417 1.319 10 0 CDAERP CC[C@H](C[NH2+]C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1)OC ZINC001419577578 1159425207 /nfs/dbraw/zinc/42/52/07/1159425207.db2.gz ILKFCCRNAHPVFC-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCCC[C@H]1[NH3+])C[NH+]1CCCC1 ZINC000251050179 1159452810 /nfs/dbraw/zinc/45/28/10/1159452810.db2.gz AFFGKKGIBURJFR-MGPQQGTHSA-N 2 0 267.417 1.352 10 0 CDAERP CCN(CC[NH2+]CC[C@H](C)F)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001699213746 1176142654 /nfs/dbraw/zinc/14/26/54/1176142654.db2.gz AMKNPJJWEIRUOA-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP C[NH+](C)CCN(C(=O)CC1([NH3+])CC1)C1CCCC1 ZINC000398091806 482243600 /nfs/dbraw/zinc/24/36/00/482243600.db2.gz OKYFMQIVEONMEN-UHFFFAOYSA-N 2 0 253.390 1.201 10 0 CDAERP COc1ccc(C[NH+](C)C)cc1NC(=O)CC1([NH3+])CC1 ZINC000398139539 482315088 /nfs/dbraw/zinc/31/50/88/482315088.db2.gz ZAAKYWYJPGDKSP-UHFFFAOYSA-N 2 0 277.368 1.577 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]CCC2(CO)CCC2)[C@@H](C)C1 ZINC000652038599 482436198 /nfs/dbraw/zinc/43/61/98/482436198.db2.gz YTBCCHOSJBIZPP-KBPBESRZSA-N 2 0 254.418 1.859 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000652291639 482459017 /nfs/dbraw/zinc/45/90/17/482459017.db2.gz ATMGYVMUMYVMMJ-HNNXBMFYSA-N 2 0 290.411 1.299 10 0 CDAERP [NH3+]C/C=C/CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000668665808 482498749 /nfs/dbraw/zinc/49/87/49/482498749.db2.gz YQCQWRLUROOMKW-RGDDUWESSA-N 2 0 288.395 1.075 10 0 CDAERP O=C(NCc1cn2ccccc2n1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000668688645 482503019 /nfs/dbraw/zinc/50/30/19/482503019.db2.gz OTANDNCXHZBHQN-BETUJISGSA-N 2 0 299.378 1.370 10 0 CDAERP C[C@@H](NC(=O)[C@H]([NH3+])c1cccc(Cl)c1)[C@H](C)[NH3+] ZINC000669520132 482555398 /nfs/dbraw/zinc/55/53/98/482555398.db2.gz DWSHCAYHXKBQTF-VAOFZXAKSA-N 2 0 255.749 1.192 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000417284726 482578572 /nfs/dbraw/zinc/57/85/72/482578572.db2.gz FVBJXKFDDXHNNP-ZBFHGGJFSA-N 2 0 296.459 1.502 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)CC2([NH3+])CCC2)CC1 ZINC000236769897 482611515 /nfs/dbraw/zinc/61/15/15/482611515.db2.gz KRFMGMCQTYHRLU-UHFFFAOYSA-N 2 0 267.417 1.496 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000672876881 482627140 /nfs/dbraw/zinc/62/71/40/482627140.db2.gz KMAKHUPIDXHPNO-CVEARBPZSA-N 2 0 293.455 1.851 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334407702 482724898 /nfs/dbraw/zinc/72/48/98/482724898.db2.gz RKHDLJOTVRDJLK-HOCLYGCPSA-N 2 0 279.428 1.463 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+][C@H]2CCC[C@@H](OC)C2)CC1 ZINC000684389105 482786949 /nfs/dbraw/zinc/78/69/49/482786949.db2.gz JVTNMJQIBKKNMF-JKSUJKDBSA-N 2 0 283.460 1.561 10 0 CDAERP CO[C@@H]1CCC[C@@H]([NH2+][C@H](C)CCN2CC[NH+](C)CC2)C1 ZINC000684395870 482791288 /nfs/dbraw/zinc/79/12/88/482791288.db2.gz ZPJFRZGIYLIBJY-BZUAXINKSA-N 2 0 283.460 1.560 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1cccc(C)c1OC ZINC000656201137 482791477 /nfs/dbraw/zinc/79/14/77/482791477.db2.gz SWAPGZCFSLDWAW-AWEZNQCLSA-N 2 0 266.385 1.847 10 0 CDAERP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C1CCC([NH3+])CC1 ZINC000258749168 482799147 /nfs/dbraw/zinc/79/91/47/482799147.db2.gz JGVOZQKTMTUANT-IYXRBSQSSA-N 2 0 267.417 1.304 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000669403305 482888330 /nfs/dbraw/zinc/88/83/30/482888330.db2.gz TWVOICPPVHBXLR-HUUCEWRRSA-N 2 0 294.443 1.112 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000136460366 482919127 /nfs/dbraw/zinc/91/91/27/482919127.db2.gz OADOPKVMYPBOBC-ZIAGYGMSSA-N 2 0 267.417 1.447 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000261886688 482944352 /nfs/dbraw/zinc/94/43/52/482944352.db2.gz USKAPWUYZMCRFM-IUODEOHRSA-N 2 0 273.380 1.281 10 0 CDAERP C[C@H]1CC[NH2+]C[C@@H]1NCc1ccc(C(=O)NC2CC2)cc1 ZINC000666860487 482954458 /nfs/dbraw/zinc/95/44/58/482954458.db2.gz HRDQAFJMHSOIHG-LRDDRELGSA-N 2 0 287.407 1.666 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)N(CC)[C@H]2CC[NH+](CC)C2)C1 ZINC000666920321 482987802 /nfs/dbraw/zinc/98/78/02/482987802.db2.gz SIGQJLIVZUSAQA-GJZGRUSLSA-N 2 0 296.459 1.596 10 0 CDAERP [NH3+]C[C@H]1CCC[C@@H]1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000089457973 483080877 /nfs/dbraw/zinc/08/08/77/483080877.db2.gz BEGUXCGPDHNWER-ZBFHGGJFSA-N 2 0 293.455 1.838 10 0 CDAERP c1cc2cc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)ccc2cn1 ZINC000683832938 483122657 /nfs/dbraw/zinc/12/26/57/483122657.db2.gz ZSHMIRCAQFDKSC-HZPDHXFCSA-N 2 0 253.349 1.886 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000669469236 483180640 /nfs/dbraw/zinc/18/06/40/483180640.db2.gz HJOODAYRQXYCPE-ZNMIVQPWSA-N 2 0 296.459 1.691 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)NCC[NH+]1CCC(C)CC1 ZINC000136424693 483402193 /nfs/dbraw/zinc/40/21/93/483402193.db2.gz GZEFLTCUUNTQGF-ZDUSSCGKSA-N 2 0 255.406 1.208 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000136411457 483402649 /nfs/dbraw/zinc/40/26/49/483402649.db2.gz HZUHAOGBNRYSCW-KBPBESRZSA-N 2 0 269.433 1.598 10 0 CDAERP C[C@@H]1CN(CCC[NH2+][C@H]2CO[C@H](C3CC3)C2)CCCO1 ZINC000668063978 483551150 /nfs/dbraw/zinc/55/11/50/483551150.db2.gz BSGHLRURGMCLCU-BMFZPTHFSA-N 2 0 282.428 1.644 10 0 CDAERP CC(C)[NH2+]C[C@H]1CC[C@@H](C[N@H+]2C[C@@H](C)O[C@@H](C)C2)O1 ZINC000052380812 519725548 /nfs/dbraw/zinc/72/55/48/519725548.db2.gz QAFNGOKNXOVJDO-BARDWOONSA-N 2 0 270.417 1.641 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000061296522 519903805 /nfs/dbraw/zinc/90/38/05/519903805.db2.gz GWZIEGZJNNBBMF-CYBMUJFWSA-N 2 0 267.417 1.461 10 0 CDAERP CCC[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)nn1 ZINC000051522138 519949579 /nfs/dbraw/zinc/94/95/79/519949579.db2.gz AJIVSNTTZJLELL-UHFFFAOYSA-N 2 0 264.373 1.449 10 0 CDAERP CCC[NH2+][C@H](C)C[C@@H](C)N1CCN(CC[NH+](C)C)CC1 ZINC000068654881 520061165 /nfs/dbraw/zinc/06/11/65/520061165.db2.gz PJKOMYGUHLWJDL-HZPDHXFCSA-N 2 0 284.492 1.332 10 0 CDAERP CC[NH2+][C@@H]1CCCC[C@H]1N1CCC[C@@H]1C[NH+](C)C ZINC000061643600 520115922 /nfs/dbraw/zinc/11/59/22/520115922.db2.gz MKJHFLCFGMGVBF-RBSFLKMASA-N 2 0 253.434 1.933 10 0 CDAERP CC[NH+](CC)CCOC[C@@H]1CC[C@H](C[NH2+]C2CC2)O1 ZINC000052672023 520694903 /nfs/dbraw/zinc/69/49/03/520694903.db2.gz RHTHLELKPDEZFX-CABCVRRESA-N 2 0 270.417 1.644 10 0 CDAERP CCC[C@](C)(C[NH2+]CC)CN1CCN(CC[NH+](C)C)CC1 ZINC000061653729 521269059 /nfs/dbraw/zinc/26/90/59/521269059.db2.gz IRCBILFUCHNSHW-QGZVFWFLSA-N 2 0 298.519 1.582 10 0 CDAERP C[C@@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)Cn1cccn1 ZINC000858101878 687476878 /nfs/dbraw/zinc/47/68/78/687476878.db2.gz JCGQUTNSMYNWIB-UONOGXRCSA-N 2 0 264.417 1.982 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]C/C=C/Cl ZINC001715977253 1179959185 /nfs/dbraw/zinc/95/91/85/1179959185.db2.gz CUJINPPLQNPUHV-JHSWMASBSA-N 2 0 287.835 1.708 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(CC[NH2+][C@@H](C)C2CC2)CC1 ZINC000055075064 522120100 /nfs/dbraw/zinc/12/01/00/522120100.db2.gz RMLCYROUYIEXGE-KGLIPLIRSA-N 2 0 253.434 1.791 10 0 CDAERP CC[C@@H](C)C[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001732774311 1183121527 /nfs/dbraw/zinc/12/15/27/1183121527.db2.gz YPDZXEGLVLMESL-RBSFLKMASA-N 2 0 283.460 1.811 10 0 CDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCOCC2CC2)CC1 ZINC000172791956 534077654 /nfs/dbraw/zinc/07/76/54/534077654.db2.gz UYPLDRWVDUWABK-AWEZNQCLSA-N 2 0 284.444 1.438 10 0 CDAERP C(C[N@@H+]1CCC[C@H]2CCCC[C@H]21)N1CCC[NH2+]CC1 ZINC000061275048 518388206 /nfs/dbraw/zinc/38/82/06/518388206.db2.gz OBYCKNUHXUASME-HZPDHXFCSA-N 2 0 265.445 1.936 10 0 CDAERP CC(C)(C)[NH2+]C[C@H]1CC[C@H](C[NH+]2CCSCC2)O1 ZINC000052443293 518763094 /nfs/dbraw/zinc/76/30/94/518763094.db2.gz RYJFCVNFIFRLGJ-CHWSQXEVSA-N 2 0 272.458 1.971 10 0 CDAERP CC(C)[NH2+]CC1(C[N@@H+]2CCCC[C@@H]2CO)CCOCC1 ZINC000052183588 519719676 /nfs/dbraw/zinc/71/96/76/519719676.db2.gz SGFMMUHGVBJKCE-OAHLLOKOSA-N 2 0 284.444 1.628 10 0 CDAERP CC(C)[NH2+]CC1(CN2CCC[N@H+](C)CC2)CCOCC1 ZINC000052181074 519719905 /nfs/dbraw/zinc/71/99/05/519719905.db2.gz OQKGQHAAVRZZFA-UHFFFAOYSA-N 2 0 283.460 1.419 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CCN([C@@H]2C[NH+]3CCC2CC3)C1 ZINC000053012391 519723481 /nfs/dbraw/zinc/72/34/81/519723481.db2.gz KUHROAWTXRXNBH-DZGCQCFKSA-N 2 0 251.418 1.401 10 0 CDAERP CC(C)C[NH+]1CCN(CC[C@](C)(CO)[NH2+]C(C)C)CC1 ZINC000070335027 519726167 /nfs/dbraw/zinc/72/61/67/519726167.db2.gz JDYYIDLLSFBXBS-MRXNPFEDSA-N 2 0 285.476 1.399 10 0 CDAERP CC(C)C[NH+]1CCN(CCOc2cccc(C[NH3+])c2)CC1 ZINC000055077661 519726265 /nfs/dbraw/zinc/72/62/65/519726265.db2.gz DWRIJAIMNXQPKM-UHFFFAOYSA-N 2 0 291.439 1.798 10 0 CDAERP CC(C)C[NH+]1CCN(C[C@@]2(C[NH2+]C(C)C)CCOC2)CC1 ZINC000055081725 519726428 /nfs/dbraw/zinc/72/64/28/519726428.db2.gz ZTMYHFMFFBOWCY-KRWDZBQOSA-N 2 0 297.487 1.665 10 0 CDAERP CC(C)[NH2+][C@](C)(CCCN1CCC[C@@H]1C[NH+](C)C)C(N)=O ZINC000061652884 519739460 /nfs/dbraw/zinc/73/94/60/519739460.db2.gz FMYJYGPQKNTNBI-GDBMZVCRSA-N 2 0 298.475 1.035 10 0 CDAERP CC(C)C[NH2+]CC1(C[NH+]2CCC(O)CC2)CCOCC1 ZINC000052180595 519742901 /nfs/dbraw/zinc/74/29/01/519742901.db2.gz OARYFEQBQAOGSV-UHFFFAOYSA-N 2 0 284.444 1.486 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc[nH+]c(NN)c1 ZINC000051113605 519775638 /nfs/dbraw/zinc/77/56/38/519775638.db2.gz MDZOUGDLTNVJIN-LBPRGKRZSA-N 2 0 279.388 1.073 10 0 CDAERP CC(C)[C@H]1CN(CCC[NH+](C)C)[C@@H](C(C)C)C[NH2+]1 ZINC000062626064 519826733 /nfs/dbraw/zinc/82/67/33/519826733.db2.gz RXMSQPQUMDOQGU-HUUCEWRRSA-N 2 0 255.450 1.893 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]C)CC1 ZINC000236763532 519852472 /nfs/dbraw/zinc/85/24/72/519852472.db2.gz JDNWDHZYYJYAGB-CYBMUJFWSA-N 2 0 253.390 1.071 10 0 CDAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C[C@@H]1CC[N@H+](C)C1 ZINC000054628304 519908526 /nfs/dbraw/zinc/90/85/26/519908526.db2.gz BKRAOKXVCLBCDB-WZYMTQMTSA-N 2 0 265.445 1.933 10 0 CDAERP CC[NH2+]C1CCN([C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000049568542 519910173 /nfs/dbraw/zinc/91/01/73/519910173.db2.gz JYFGEHSEOMIQOV-CABCVRRESA-N 2 0 251.418 1.687 10 0 CDAERP CC[NH2+]CCC[C@@H](C)[NH+]1CCN(c2ncccn2)CC1 ZINC000052418496 519919844 /nfs/dbraw/zinc/91/98/44/519919844.db2.gz SHUWNBBMSXAKDL-CQSZACIVSA-N 2 0 277.416 1.377 10 0 CDAERP CCC[NH2+][C@@H](C)[C@@H](C)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062979370 519986371 /nfs/dbraw/zinc/98/63/71/519986371.db2.gz PLMLQKLXMAACOE-ZNMIVQPWSA-N 2 0 253.434 1.933 10 0 CDAERP CC[NH2+]Cc1ccoc1C[N@H+](CCOC)C1CC1 ZINC000052542404 520010509 /nfs/dbraw/zinc/01/05/09/520010509.db2.gz SPKOXTTYMUYMEU-UHFFFAOYSA-N 2 0 252.358 2.000 10 0 CDAERP CC[NH2+]Cc1ccoc1C[N@H+](CCCOC)CCOC ZINC000052543230 520011124 /nfs/dbraw/zinc/01/11/24/520011124.db2.gz DYYKGXQRUPJJKM-UHFFFAOYSA-N 2 0 284.400 1.874 10 0 CDAERP CC[NH2+]Cc1cn(CC[NH+]2CCC(C)CC2)nn1 ZINC000052377036 520013797 /nfs/dbraw/zinc/01/37/97/520013797.db2.gz DEKQZQGRCAPGPF-UHFFFAOYSA-N 2 0 251.378 1.120 10 0 CDAERP CCCO[C@H]1CCC[N@H+](CCN2CCC[NH2+]CC2)C1 ZINC000061275507 520286464 /nfs/dbraw/zinc/28/64/64/520286464.db2.gz HPDHFENUDBDWGN-HNNXBMFYSA-N 2 0 269.433 1.173 10 0 CDAERP CC[NH+](CC)CCCN1[C@@H]2CC[C@H]1CC([NH2+]C)C2 ZINC000054626727 520609291 /nfs/dbraw/zinc/60/92/91/520609291.db2.gz GTWOHBXRSOWAIQ-GOOCMWNKSA-N 2 0 253.434 1.933 10 0 CDAERP CC[NH+](CC)CCNC(=O)CCC1CCC([NH3+])CC1 ZINC000055123016 520667336 /nfs/dbraw/zinc/66/73/36/520667336.db2.gz OLOIORNEHYFIBR-UHFFFAOYSA-N 2 0 269.433 1.742 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)CC1CCC([NH3+])CC1 ZINC000055139397 520730504 /nfs/dbraw/zinc/73/05/04/520730504.db2.gz DJTSVWXFBZMYMB-HSBZDZAISA-N 2 0 269.433 1.741 10 0 CDAERP CC1CC[NH+](CCNC(=O)[C@H]2CC[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000055136693 521013503 /nfs/dbraw/zinc/01/35/03/521013503.db2.gz WXHCVLFCFCWLKF-ZNMIVQPWSA-N 2 0 281.444 1.598 10 0 CDAERP CC1CC[NH+](CCNC(=O)[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000055089401 521015139 /nfs/dbraw/zinc/01/51/39/521015139.db2.gz CKTAPWXJLWJIAC-ZIAGYGMSSA-N 2 0 267.417 1.352 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@H]2CCC[C@@H](C)[C@@H]2[NH3+])CC1 ZINC000055140054 521550775 /nfs/dbraw/zinc/55/07/75/521550775.db2.gz SVMROQLMHIMAQY-SNPRPXQTSA-N 2 0 281.444 1.598 10 0 CDAERP CC[NH+]1CCC(N(C)CC[NH2+][C@H](C)C2CC2)CC1 ZINC000053435833 521561061 /nfs/dbraw/zinc/56/10/61/521561061.db2.gz HQGPRTGCFICSSM-CYBMUJFWSA-N 2 0 253.434 1.791 10 0 CDAERP CC[NH+]1CCC([C@@H](C)[NH2+][C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000069142287 521583047 /nfs/dbraw/zinc/58/30/47/521583047.db2.gz XUFYVCUUZWIOSS-TZMCWYRMSA-N 2 0 288.457 1.274 10 0 CDAERP CCC[N@H+](CCC[C@@H]1CCC[NH2+]1)CC(=O)N(C)C ZINC000052764492 521654527 /nfs/dbraw/zinc/65/45/27/521654527.db2.gz CCFMWTGVTCNZSX-ZDUSSCGKSA-N 2 0 255.406 1.319 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)CC[C@H]1CCC[NH2+]C1 ZINC000061644944 521830055 /nfs/dbraw/zinc/83/00/55/521830055.db2.gz WQEORTUXVIHIEO-KGLIPLIRSA-N 2 0 267.417 1.319 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1[C@@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000061642739 521843083 /nfs/dbraw/zinc/84/30/83/521843083.db2.gz VSGXWMIAHWMUBR-HOTGVXAUSA-N 2 0 289.423 1.647 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)C1CCC(C[NH3+])CC1 ZINC000061656280 521861136 /nfs/dbraw/zinc/86/11/36/521861136.db2.gz VDBYHAZLDZXHQU-JXQTWKCFSA-N 2 0 267.417 1.304 10 0 CDAERP CN(C)C[C@H]1CCC[N@@H+]1CCCOc1ccc(C[NH3+])cc1 ZINC000061642658 521867682 /nfs/dbraw/zinc/86/76/82/521867682.db2.gz FVWBGAYAJRLFRD-MRXNPFEDSA-N 2 0 291.439 1.940 10 0 CDAERP C[NH2+][C@@H]1c2ccccc2C[C@H]1N1CCC[C@@H]1C[NH+](C)C ZINC000061643446 522402860 /nfs/dbraw/zinc/40/28/60/522402860.db2.gz VAYPYMLXOHELLS-DJIMGWMZSA-N 2 0 273.424 1.898 10 0 CDAERP CC[C@H]1C[N@H+](C[C@@H]2CC23CC[NH2+]CC3)CCN1C ZINC000070257644 523282977 /nfs/dbraw/zinc/28/29/77/523282977.db2.gz QSJNAEYDFCDAEA-KBPBESRZSA-N 2 0 251.418 1.402 10 0 CDAERP COCCN(CCC[NH+](C)C)C(=O)CCC1CC[NH2+]CC1 ZINC000050947998 523693964 /nfs/dbraw/zinc/69/39/64/523693964.db2.gz JYEQZQQLHZNJQL-UHFFFAOYSA-N 2 0 299.459 1.193 10 0 CDAERP COCC[N@H+](Cc1cc(F)ccc1C[NH3+])[C@H](C)COC ZINC000069401427 523740445 /nfs/dbraw/zinc/74/04/45/523740445.db2.gz IMIBCSUXSZQXHT-GFCCVEGCSA-N 2 0 284.375 1.768 10 0 CDAERP CN(C(=O)C1CCC(C[NH3+])CC1)[C@@H]1CCC[N@H+](C)C1 ZINC000055160826 523790686 /nfs/dbraw/zinc/79/06/86/523790686.db2.gz CIYYBJKDSHCNID-JXQTWKCFSA-N 2 0 267.417 1.304 10 0 CDAERP CC[C@H](C)[NH+]1CCN(Cc2cc(C)c(C[NH3+])o2)CC1 ZINC000055074206 523955079 /nfs/dbraw/zinc/95/50/79/523955079.db2.gz RNPKILGKKVFOCK-ZDUSSCGKSA-N 2 0 265.401 1.963 10 0 CDAERP CC[C@H](C)[NH+]1CCN(Cc2ccc[nH+]c2NN)CC1 ZINC000055071335 523956530 /nfs/dbraw/zinc/95/65/30/523956530.db2.gz GOESWZQIPFXPRZ-LBPRGKRZSA-N 2 0 263.389 1.283 10 0 CDAERP CC[C@H](C)[NH+]1CCN([C@H](C[NH3+])c2ccco2)CC1 ZINC000055063992 523959651 /nfs/dbraw/zinc/95/96/51/523959651.db2.gz XKFSSELOSZBKPA-QWHCGFSZSA-N 2 0 251.374 1.696 10 0 CDAERP C[NH+](C)CCC[NH2+]CCOc1cc(F)cc(F)c1 ZINC000054934924 524056919 /nfs/dbraw/zinc/05/69/19/524056919.db2.gz NJJKVPBXBGXGQY-UHFFFAOYSA-N 2 0 258.312 1.885 10 0 CDAERP C[NH+](C)CCCOC[C@@H]1CC[C@H](C[NH2+]C(C)(C)C)O1 ZINC000052672660 524058409 /nfs/dbraw/zinc/05/84/09/524058409.db2.gz UIVRZQJJXKWYCN-KGLIPLIRSA-N 2 0 272.433 1.890 10 0 CDAERP C[C@H](CCC[NH2+]C1CC1)[NH+]1CCN(C2CC2)CC1 ZINC000052371367 524142296 /nfs/dbraw/zinc/14/22/96/524142296.db2.gz JXVCBWUVKQQDPI-CYBMUJFWSA-N 2 0 251.418 1.687 10 0 CDAERP C[C@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC000055138667 524144817 /nfs/dbraw/zinc/14/48/17/524144817.db2.gz CSWZCGGZOUIMFS-IGQOVBAYSA-N 2 0 267.417 1.350 10 0 CDAERP C[C@@H]1CCC[C@H]([N@@H+]2CCC[C@@H]2C(=O)N2CC[NH2+]CC2)[C@@H]1C ZINC000068632428 524392211 /nfs/dbraw/zinc/39/22/11/524392211.db2.gz IXRYXVAIMYEURK-LVQVYYBASA-N 2 0 293.455 1.707 10 0 CDAERP C[C@@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)NCCCC[NH+](C)C ZINC000055138974 524392452 /nfs/dbraw/zinc/39/24/52/524392452.db2.gz VVURGLDYXJHJJV-FRRDWIJNSA-N 2 0 255.406 1.208 10 0 CDAERP C[C@H](C[NH2+]C(C)(C)C)CN1CC[NH+](C2CC2)CC1 ZINC000052371281 524476345 /nfs/dbraw/zinc/47/63/45/524476345.db2.gz BJJHEIPSUQSOBI-CYBMUJFWSA-N 2 0 253.434 1.791 10 0 CDAERP C[C@@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)NCC(C)(C)C[NH+](C)C ZINC000055125304 524685701 /nfs/dbraw/zinc/68/57/01/524685701.db2.gz RPUZDFFEYSBIFC-AGIUHOORSA-N 2 0 269.433 1.454 10 0 CDAERP Cc1cc(COCC[NH+](C)C)oc1C[NH2+]C1CC1 ZINC000052669984 524803865 /nfs/dbraw/zinc/80/38/65/524803865.db2.gz UHNDQQXHRABCQY-UHFFFAOYSA-N 2 0 252.358 1.918 10 0 CDAERP C[C@H]1C[C@H]([NH3+])CC[C@@H]1C(=O)NCC(C)(C)C[NH+](C)C ZINC000055125321 524903982 /nfs/dbraw/zinc/90/39/82/524903982.db2.gz VWAKZQYSTJDQJO-XQQFMLRXSA-N 2 0 269.433 1.454 10 0 CDAERP C[C@@H]1[C@@H]([NH3+])CCC[C@@H]1C(=O)NCC1CC[NH+](C)CC1 ZINC000055140189 525663225 /nfs/dbraw/zinc/66/32/25/525663225.db2.gz ZEDBWVSJFZPTPT-UBHSHLNASA-N 2 0 267.417 1.208 10 0 CDAERP Cc1ccc([C@@H](C[NH3+])N2CCC[C@@H]2C[NH+](C)C)o1 ZINC000061642213 525756108 /nfs/dbraw/zinc/75/61/08/525756108.db2.gz QXMBFYCPTQCCMC-CHWSQXEVSA-N 2 0 251.374 1.614 10 0 CDAERP O=C(CC[C@@H]1CCCC[NH2+]1)NCC[NH+]1CCCC1 ZINC000050942022 526547491 /nfs/dbraw/zinc/54/74/91/526547491.db2.gz QILDJKHQMKYLFP-ZDUSSCGKSA-N 2 0 253.390 1.121 10 0 CDAERP [NH3+][C@H]1CCCC[C@@H]1C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062943685 527395658 /nfs/dbraw/zinc/39/56/58/527395658.db2.gz WMAJFBVBABBIMR-RDBSUJKOSA-N 2 0 265.401 1.201 10 0 CDAERP [NH3+][C@H]1COc2cc(OCCC[NH+]3CCCC3)ccc21 ZINC000062803357 527417999 /nfs/dbraw/zinc/41/79/99/527417999.db2.gz WLLMPSGQBRFZBN-AWEZNQCLSA-N 2 0 262.353 1.944 10 0 CDAERP CC(C)[NH+](CCNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)C(C)C ZINC000416797838 535067400 /nfs/dbraw/zinc/06/74/00/535067400.db2.gz BMBFQSFZBJTCLL-GJZGRUSLSA-N 2 0 296.459 1.499 10 0 CDAERP CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252865302 535357236 /nfs/dbraw/zinc/35/72/36/535357236.db2.gz PSDHSUJFZIWVFV-RWMBFGLXSA-N 2 0 267.417 1.350 10 0 CDAERP CC[NH+](CC)C[C@@H]1CCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000261772792 535585432 /nfs/dbraw/zinc/58/54/32/535585432.db2.gz MUUXOOWFJYWTBR-LSDHHAIUSA-N 2 0 253.434 1.650 10 0 CDAERP CC[NH+](CC)[C@@H](C)CNC(=O)NCC[N@H+](C)C(C)C ZINC000101981015 535645532 /nfs/dbraw/zinc/64/55/32/535645532.db2.gz LYLUSDSMHLRKJK-ZDUSSCGKSA-N 2 0 272.437 1.356 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+]Cc2cncn2C(C)C)CC1 ZINC000424135294 535698460 /nfs/dbraw/zinc/69/84/60/535698460.db2.gz OWLYKMJDPPZUMV-UHFFFAOYSA-N 2 0 293.459 1.581 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000333635135 545547403 /nfs/dbraw/zinc/54/74/03/545547403.db2.gz TTXXVOMRYNQVLB-IUODEOHRSA-N 2 0 294.443 1.158 10 0 CDAERP CC1(C)CCC[C@](CO)([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000859616656 687779117 /nfs/dbraw/zinc/77/91/17/687779117.db2.gz ZGXSSOMBZFBEAP-ZBFHGGJFSA-N 2 0 284.444 1.364 10 0 CDAERP C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650752853 574439243 /nfs/dbraw/zinc/43/92/43/574439243.db2.gz BUQWJLZFDUGODV-YGRLFVJLSA-N 2 0 251.349 1.324 10 0 CDAERP CCOC(=O)[C@@H]1C[NH2+]CC12CC[NH+](CC(C)C)CC2 ZINC000757183370 574901294 /nfs/dbraw/zinc/90/12/94/574901294.db2.gz BMBIGCOWMWDPNH-ZDUSSCGKSA-N 2 0 268.401 1.507 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1C ZINC000763054839 576705172 /nfs/dbraw/zinc/70/51/72/576705172.db2.gz PAMCSCXOKYEKKU-OLZOCXBDSA-N 2 0 267.417 1.412 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@H]([C@@H]2CC[NH2+][C@H](C)C2)[NH2+]C1 ZINC000757210069 577035781 /nfs/dbraw/zinc/03/57/81/577035781.db2.gz AHKQZOUHOPGIHV-FDYHWXHSSA-N 2 0 254.374 1.306 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCCCC[C@H]([NH2+]CCCO)C1 ZINC001689271005 1175133077 /nfs/dbraw/zinc/13/30/77/1175133077.db2.gz ZYRBZUCUOIHJGS-HNNXBMFYSA-N 2 0 299.459 1.071 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C)CCCF ZINC001689890684 1175296062 /nfs/dbraw/zinc/29/60/62/1175296062.db2.gz BTKNPWDYDACACQ-CQSZACIVSA-N 2 0 287.423 1.659 10 0 CDAERP O=C(NCC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)C1CC1 ZINC000925510544 617411911 /nfs/dbraw/zinc/41/19/11/617411911.db2.gz WRCYVGPZNBFZSS-LSDHHAIUSA-N 2 0 279.428 1.271 10 0 CDAERP CN1C[C@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)CCC1=O ZINC000925510656 617412731 /nfs/dbraw/zinc/41/27/31/617412731.db2.gz ZMPPCVRQJLLGQB-CABCVRRESA-N 2 0 275.396 1.677 10 0 CDAERP CN(C)[C@H](C[NH2+]C1[C@@H]2CC[C@H]1C[N@@H+](C)C2)c1ccco1 ZINC000924547624 617437484 /nfs/dbraw/zinc/43/74/84/617437484.db2.gz SJDBDZQKYRGETI-MHRDGSLOSA-N 2 0 277.412 1.812 10 0 CDAERP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccns1 ZINC000926204431 617519499 /nfs/dbraw/zinc/51/94/99/617519499.db2.gz VJKQPIPWSWGPKW-QWHCGFSZSA-N 2 0 282.457 1.820 10 0 CDAERP CNC(=O)C(C)(C)C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925604807 617547761 /nfs/dbraw/zinc/54/77/61/617547761.db2.gz BNGWXZXLEKCPDN-WOPDTQHZSA-N 2 0 267.417 1.125 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)C12CCC2 ZINC000925608576 617553253 /nfs/dbraw/zinc/55/32/53/617553253.db2.gz FMLXKIPZDBMECT-ZNMIVQPWSA-N 2 0 281.444 1.083 10 0 CDAERP COCC[C@](C)(O)C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925614051 617559206 /nfs/dbraw/zinc/55/92/06/617559206.db2.gz WRSVRHCMLHQXAM-PMPSAXMXSA-N 2 0 284.444 1.532 10 0 CDAERP CC1(C)[C@H]([NH2+]C[C@H](O)C2CCOCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925617256 617562377 /nfs/dbraw/zinc/56/23/77/617562377.db2.gz CBYHDCWSTXRMGK-CBBWQLFWSA-N 2 0 282.428 1.140 10 0 CDAERP C[C@H](CCO)C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925621781 617568340 /nfs/dbraw/zinc/56/83/40/617568340.db2.gz GFDMHMXFRUNSQD-VHDGCEQUSA-N 2 0 254.418 1.763 10 0 CDAERP CC1(C)[C@H]([NH2+]C[C@@]2(O)CCSC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925622340 617568710 /nfs/dbraw/zinc/56/87/10/617568710.db2.gz JXPAMKMSHIRXNP-CZXHOFHRSA-N 2 0 270.442 1.221 10 0 CDAERP CC1(C)[C@@H]([NH2+]CC2(CCO)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925646752 617590214 /nfs/dbraw/zinc/59/02/14/617590214.db2.gz VVBDSMDUZAVUOU-AGIUHOORSA-N 2 0 252.402 1.515 10 0 CDAERP CC(C)C[C@H]([NH2+][C@@H]1CC[C@@H]1C)C(=O)NCC[NH+](C)C ZINC000783279505 617592124 /nfs/dbraw/zinc/59/21/24/617592124.db2.gz KOSQPYAPOAQZCZ-MJBXVCDLSA-N 2 0 269.433 1.467 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925669929 617627483 /nfs/dbraw/zinc/62/74/83/617627483.db2.gz ZDZSMCIDNDMWFC-MCIONIFRSA-N 2 0 253.434 1.966 10 0 CDAERP C[C@@H](CCO)CC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925679160 617651475 /nfs/dbraw/zinc/65/14/75/617651475.db2.gz HVCCVYWXNKODPW-MQYQWHSLSA-N 2 0 254.418 1.761 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCS(=O)(=O)C2CC2)C1 ZINC000925691214 617695645 /nfs/dbraw/zinc/69/56/45/617695645.db2.gz NLAFJQKXANKMBM-WDEREUQCSA-N 2 0 274.430 1.059 10 0 CDAERP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(=O)[nH]n1 ZINC000925803201 617739693 /nfs/dbraw/zinc/73/96/93/617739693.db2.gz NSPHJGBRVOULCJ-GMTAPVOTSA-N 2 0 250.346 1.078 10 0 CDAERP CC1(C)[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925705150 617784267 /nfs/dbraw/zinc/78/42/67/617784267.db2.gz HZLPYVSYXZBXSJ-PDWCTOEPSA-N 3 0 251.418 1.480 10 0 CDAERP C[C@H](CCC[NH3+])[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925713927 617818309 /nfs/dbraw/zinc/81/83/09/617818309.db2.gz ZIPYQNSHZZOKFA-YUELXQCFSA-N 3 0 253.434 1.872 10 0 CDAERP C[C@H](C[NH2+][C@H](C1CCC1)[C@@H]1CCOC1)C[NH+](C)C ZINC000926472560 617861013 /nfs/dbraw/zinc/86/10/13/617861013.db2.gz KLTZRGXDMQRFCP-BPLDGKMQSA-N 2 0 254.418 1.979 10 0 CDAERP COC(=O)C1=CC[C@H]([NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925722384 617862970 /nfs/dbraw/zinc/86/29/70/617862970.db2.gz HNBZKBGBZUJGAB-RWMBFGLXSA-N 2 0 266.385 1.744 10 0 CDAERP [NH3+][C@H]1CCC[C@H]([NH2+]CCc2cccc3c2OCCO3)C1 ZINC000925875412 617946653 /nfs/dbraw/zinc/94/66/53/617946653.db2.gz SRFBCAWOOZMCEM-KBPBESRZSA-N 2 0 276.380 1.860 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000925726408 617959014 /nfs/dbraw/zinc/95/90/14/617959014.db2.gz SMHBOJANRVWYJE-JYZCHSJBSA-N 2 0 262.397 1.515 10 0 CDAERP CC1(C)[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)[C@@H]2CCCO[C@@H]21 ZINC000925881514 617965572 /nfs/dbraw/zinc/96/55/72/617965572.db2.gz CFWOJOISAMIRDA-HTOAHKCRSA-N 2 0 252.402 1.907 10 0 CDAERP CC(C)C[C@@](C)(C[NH3+])NC(=O)C=C1CC[NH2+]CC1 ZINC000852799981 617965687 /nfs/dbraw/zinc/96/56/87/617965687.db2.gz VZESSXGJFSMQTJ-AWEZNQCLSA-N 2 0 253.390 1.176 10 0 CDAERP CC1(C)[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)[C@H]2CCCO[C@@H]21 ZINC000925881517 617966182 /nfs/dbraw/zinc/96/61/82/617966182.db2.gz CFWOJOISAMIRDA-ITGHMWBKSA-N 2 0 252.402 1.907 10 0 CDAERP C[C@H](C[NH2+][C@H](C)c1ccns1)N1CC[NH+](C)CC1 ZINC000924962830 618445095 /nfs/dbraw/zinc/44/50/95/618445095.db2.gz CFVOJMLMLYWTGP-VXGBXAGGSA-N 2 0 268.430 1.430 10 0 CDAERP COc1ccccc1[C@H](O)C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000817891592 618484608 /nfs/dbraw/zinc/48/46/08/618484608.db2.gz FFSKXSUZTPYCLR-AEGPPILISA-N 2 0 278.396 1.706 10 0 CDAERP C[C@H]1C[C@@H]1NC(=[NH2+])NCC[N@@H+]1CCCC(C)(C)C1 ZINC000864465016 620929854 /nfs/dbraw/zinc/92/98/54/620929854.db2.gz NRAHLFWBTNDJSV-RYUDHWBXSA-N 2 0 252.406 1.631 10 0 CDAERP C[NH+](C)C1CC(NC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000897667750 621061705 /nfs/dbraw/zinc/06/17/05/621061705.db2.gz WJGBDSWJRRGUDK-MCIGGMRASA-N 2 0 253.390 1.068 10 0 CDAERP Cc1cn(C(C)(C)C(=O)N[C@H](C)C[N@H+](C)C(C)C)cn1 ZINC000897800081 621127979 /nfs/dbraw/zinc/12/79/79/621127979.db2.gz VCHGHRYBDSRXBY-CYBMUJFWSA-N 2 0 280.416 1.772 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)N[C@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC000925322313 621534105 /nfs/dbraw/zinc/53/41/05/621534105.db2.gz PBJHPGNPVCNZLG-ZFWWWQNUSA-N 2 0 296.459 1.595 10 0 CDAERP C([NH2+][C@@H]1CCOC12CCOCC2)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000924649442 621633329 /nfs/dbraw/zinc/63/33/29/621633329.db2.gz OUFSXAKOGDXZEG-DZGCQCFKSA-N 2 0 280.412 1.398 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCC2(CCOCC2)O1 ZINC000927019714 621655401 /nfs/dbraw/zinc/65/54/01/621655401.db2.gz SUYSFFICVATKBA-QGPPMGRFSA-N 2 0 294.439 1.644 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[NH+](C)[C@H](C(C)(C)C)C2)C1 ZINC000898384433 621720384 /nfs/dbraw/zinc/72/03/84/621720384.db2.gz RWLRGMKIHHFZJY-KBPBESRZSA-N 2 0 281.444 1.517 10 0 CDAERP CCCCCNC(=O)C1CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903431746 625989951 /nfs/dbraw/zinc/98/99/51/625989951.db2.gz XPHVYJMYBUQWOI-ZBFHGGJFSA-N 2 0 295.471 1.860 10 0 CDAERP CCO[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)C1(C)C ZINC000903439926 625992636 /nfs/dbraw/zinc/99/26/36/625992636.db2.gz QGNNRSQRQLZQAW-XJFOESAGSA-N 2 0 254.418 1.977 10 0 CDAERP C[NH+](C)CCC[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000903464429 625994045 /nfs/dbraw/zinc/99/40/45/625994045.db2.gz NCONDOGBOIUIDN-ILXRZTDVSA-N 3 0 269.433 1.156 10 0 CDAERP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CCOC2CC2)C1 ZINC000903461382 625995724 /nfs/dbraw/zinc/99/57/24/625995724.db2.gz RSLJIXUCJICDCK-YUELXQCFSA-N 2 0 268.401 1.526 10 0 CDAERP C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2C[C@@H]2CC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000903441996 625996866 /nfs/dbraw/zinc/99/68/66/625996866.db2.gz DZHLZCASWDLPTP-ALYAQQCSSA-N 2 0 295.471 1.687 10 0 CDAERP Cc1nn(C)cc1[C@H]1CCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903446539 625999032 /nfs/dbraw/zinc/99/90/32/625999032.db2.gz YBJBJHLCBRITDO-VNHYZAJKSA-N 2 0 262.401 1.993 10 0 CDAERP COC(=O)CC[N@H+](CC(C)C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903454842 626001994 /nfs/dbraw/zinc/00/19/94/626001994.db2.gz KKTZUUOCZIKAQL-OLZOCXBDSA-N 2 0 256.390 1.635 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C[C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC000903494934 626011360 /nfs/dbraw/zinc/01/13/60/626011360.db2.gz RIJFBQZWAXIFJN-CJLROXEISA-N 2 0 278.396 1.245 10 0 CDAERP OCCCCCCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903510073 626012679 /nfs/dbraw/zinc/01/26/79/626012679.db2.gz NBRQIGVAPUADBM-CALCHBBNSA-N 2 0 295.471 1.440 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@@H+](C(C)C)C2CC2)cnn1C ZINC000903883952 626132412 /nfs/dbraw/zinc/13/24/12/626132412.db2.gz MWDBMDASCKOFDE-CYBMUJFWSA-N 2 0 264.417 1.719 10 0 CDAERP C[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H](CO)C(C)(C)C ZINC000903897700 626136950 /nfs/dbraw/zinc/13/69/50/626136950.db2.gz IRLRPDHPKDIVNA-GSPSYOTPSA-N 2 0 254.418 1.856 10 0 CDAERP CC[N@H+](C[C@H](C[NH3+])Cc1cnn(C)c1C)CC1CCC1 ZINC000903909442 626142727 /nfs/dbraw/zinc/14/27/27/626142727.db2.gz UYZPCPJMPGEFPW-HNNXBMFYSA-N 2 0 278.444 1.968 10 0 CDAERP O=C(NC1CC1)N[C@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903910082 626143356 /nfs/dbraw/zinc/14/33/56/626143356.db2.gz JMHVSPJBKYWPME-FBAPMCOASA-N 2 0 292.427 1.053 10 0 CDAERP CC[N@H+](C[C@H](O)C(F)(F)F)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903911130 626144335 /nfs/dbraw/zinc/14/43/35/626144335.db2.gz XLUGIBNPVCTATP-YATPEIPISA-N 2 0 280.334 1.762 10 0 CDAERP Cc1noc(C)c1C[NH2+]C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903920468 626147215 /nfs/dbraw/zinc/14/72/15/626147215.db2.gz JYLQWXYHHCEJKK-ZDUSSCGKSA-N 2 0 291.399 1.241 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[NH2+][C@@H](C)c2ccccn2)cnn1C ZINC000903924971 626148754 /nfs/dbraw/zinc/14/87/54/626148754.db2.gz ANUBXPJDPKMCSV-GXTWGEPZSA-N 2 0 287.411 1.592 10 0 CDAERP [NH3+][C@@H](C[NH2+][C@@H]1CCCCC12CC[NH2+]CC2)CC(F)F ZINC000903937987 626155915 /nfs/dbraw/zinc/15/59/15/626155915.db2.gz WSFSBTNKPFQJMY-VXGBXAGGSA-N 3 0 275.387 1.871 10 0 CDAERP COC(=O)[C@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1C ZINC000903916476 626157321 /nfs/dbraw/zinc/15/73/21/626157321.db2.gz SNCYAUDJBKBOPU-WYTNZGFTSA-N 2 0 266.385 1.400 10 0 CDAERP COC(=O)C1CCC([NH2+]C[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000903957431 626158299 /nfs/dbraw/zinc/15/82/99/626158299.db2.gz QUQXPBNDWDQNLH-MOENNCHZSA-N 2 0 290.354 1.553 10 0 CDAERP COc1cc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc2c1OCO2 ZINC000903977374 626169812 /nfs/dbraw/zinc/16/98/12/626169812.db2.gz PVMKKJQKLQOUSG-DGCLKSJQSA-N 2 0 292.379 1.841 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000903964573 626171315 /nfs/dbraw/zinc/17/13/15/626171315.db2.gz LLTKSYODBGLSFT-HIFRSBDPSA-N 2 0 274.412 1.627 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000903966778 626172210 /nfs/dbraw/zinc/17/22/10/626172210.db2.gz CADHPYMJLCKFFG-IWCQGFGOSA-N 2 0 273.424 1.925 10 0 CDAERP c1cn(C2CC2)c(C[NH+]2CCC3(CC[NH2+]C3)CC2)n1 ZINC000904351477 626262968 /nfs/dbraw/zinc/26/29/68/626262968.db2.gz ZIZWSQRNWQHBFB-UHFFFAOYSA-N 2 0 260.385 1.794 10 0 CDAERP CC(C)[C@@H]([NH3+])C(C)(C)c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000905304248 626756274 /nfs/dbraw/zinc/75/62/74/626756274.db2.gz JMPLBCUKXBXDCY-VHSXEESVSA-N 2 0 252.362 1.755 10 0 CDAERP C(=C/[C@@H]1CCC[NH2+]C1)\c1nc(CC2CC[NH2+]CC2)no1 ZINC000905307997 626757376 /nfs/dbraw/zinc/75/73/76/626757376.db2.gz DBRPRGYTNFJHRA-OOPCZODUSA-N 2 0 276.384 1.625 10 0 CDAERP CCN(CCC[NH+](CC)CC)C(=O)C12CC[NH+](CC1)C2 ZINC000907662135 627770929 /nfs/dbraw/zinc/77/09/29/627770929.db2.gz AVCSTRWNEJOCRH-UHFFFAOYSA-N 2 0 281.444 1.663 10 0 CDAERP CC[C@@H](C(=O)N1CC([NH+]2CCCC2)C1)[NH+](CC)CC ZINC000912324558 629935251 /nfs/dbraw/zinc/93/52/51/629935251.db2.gz FDDIKQYDWIJREG-AWEZNQCLSA-N 2 0 267.417 1.413 10 0 CDAERP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@]1(C)C[NH+]2CCC1CC2 ZINC000912375642 629973553 /nfs/dbraw/zinc/97/35/53/629973553.db2.gz IVIVLUAGYNECNT-LRDDRELGSA-N 2 0 281.444 1.754 10 0 CDAERP C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)C12CC[NH+](CC1)C2 ZINC000912649559 630126070 /nfs/dbraw/zinc/12/60/70/630126070.db2.gz WLTIWMQNMMPZBK-HUUCEWRRSA-N 2 0 293.455 1.804 10 0 CDAERP Cc1nccn1CC(=O)N1[C@@H](C)CCC[C@H]1CC[NH+](C)C ZINC000912649766 630126272 /nfs/dbraw/zinc/12/62/72/630126272.db2.gz ZHTMEKYDIHQHHN-ZFWWWQNUSA-N 2 0 292.427 1.913 10 0 CDAERP CC(C)[C@H](C(=O)N1CC[C@@H]([NH+]2CCC2)C1)[NH+]1CCCCC1 ZINC000912918579 630287812 /nfs/dbraw/zinc/28/78/12/630287812.db2.gz GFGHIRAWFGHKJT-HZPDHXFCSA-N 2 0 293.455 1.804 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000913283171 630433705 /nfs/dbraw/zinc/43/37/05/630433705.db2.gz NODMBTSRCCNZGA-SRABZTEZSA-N 2 0 293.455 1.659 10 0 CDAERP CN(C)CC[NH+]1CCC(C[NH2+]Cc2cc[nH]c(=O)c2)CC1 ZINC000921685903 633172722 /nfs/dbraw/zinc/17/27/22/633172722.db2.gz BNWFIEWBYWGIHX-UHFFFAOYSA-N 2 0 292.427 1.150 10 0 CDAERP C[C@H]1C[NH+](CCCC[NH2+]Cc2cc[nH]c(=O)c2)C[C@H](C)O1 ZINC000921758660 633273313 /nfs/dbraw/zinc/27/33/13/633273313.db2.gz DGUPJJMWKCLJIC-KBPBESRZSA-N 2 0 293.411 1.766 10 0 CDAERP [NH3+][C@H]1C[C@@H]([NH2+]CCNC(=O)c2ccccc2F)C12CCC2 ZINC000925492595 685255517 /nfs/dbraw/zinc/25/55/17/685255517.db2.gz IACZYTLZISWMDY-UONOGXRCSA-N 2 0 291.370 1.415 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)NC[C@@H]1CC[NH+]1C ZINC000925434444 684433882 /nfs/dbraw/zinc/43/38/82/684433882.db2.gz KMPLLIMCNVRQGP-LBPRGKRZSA-N 2 0 270.421 1.110 10 0 CDAERP [NH3+]Cc1ccc2c(c1)CCCN2C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000841848494 685321012 /nfs/dbraw/zinc/32/10/12/685321012.db2.gz JLQMMEQALZDSSJ-PBHICJAKSA-N 2 0 285.391 1.424 10 0 CDAERP [NH3+]C[C@@H]1CN(CCc2ccns2)C[C@H]1C(F)(F)F ZINC000719875165 685351087 /nfs/dbraw/zinc/35/10/87/685351087.db2.gz ZGPPVDAZHQQURK-PSASIEDQSA-N 2 0 279.331 1.755 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@]2(C(F)(F)F)CCCN2)C1 ZINC000925852835 685358397 /nfs/dbraw/zinc/35/83/97/685358397.db2.gz HSMKNPXOLMGKTK-GMTAPVOTSA-N 2 0 265.323 1.530 10 0 CDAERP CC(C)OC(=O)N1CCC([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000817913388 686334679 /nfs/dbraw/zinc/33/46/79/686334679.db2.gz ZJAUFFPIHHKQAS-GXTWGEPZSA-N 2 0 283.416 1.726 10 0 CDAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1cc(C3CC3)no1)CC2 ZINC000923450371 685384075 /nfs/dbraw/zinc/38/40/75/685384075.db2.gz FQFNDSOBKHIQMA-AWEZNQCLSA-N 2 0 291.395 1.882 10 0 CDAERP [NH3+][C@H]1C[C@@H]([NH2+]CCCN2CCCCC2=O)C12CCC2 ZINC000925547990 685467735 /nfs/dbraw/zinc/46/77/35/685467735.db2.gz FHZFVQWEIIIQIC-QWHCGFSZSA-N 2 0 265.401 1.249 10 0 CDAERP COC1CC(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)C1 ZINC000703822877 685467761 /nfs/dbraw/zinc/46/77/61/685467761.db2.gz DJTNNWDKKRSSFS-SHWKFHJASA-N 2 0 252.402 1.875 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCCCCF)C1 ZINC001266601979 1158652773 /nfs/dbraw/zinc/65/27/73/1158652773.db2.gz RJZCUJXXPCTBHU-RBSFLKMASA-N 2 0 299.434 1.847 10 0 CDAERP CC(C)(CO)C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925616010 685548508 /nfs/dbraw/zinc/54/85/08/685548508.db2.gz JXEABLOGKVMAEU-KGLIPLIRSA-N 2 0 254.418 1.763 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cn(C2CC2)cn1 ZINC000865487678 685560160 /nfs/dbraw/zinc/56/01/60/685560160.db2.gz NBWGWZZSBJBMBM-OAHLLOKOSA-N 2 0 280.416 1.664 10 0 CDAERP C[C@@H]1C[N@H+](CCCOC(F)(F)F)CC[C@H]1C[NH3+] ZINC000713385232 685566330 /nfs/dbraw/zinc/56/63/30/685566330.db2.gz UAMOFQFQPLEECY-ZJUUUORDSA-N 2 0 254.296 1.830 10 0 CDAERP CC[C@H](C[NH+]1CCCC1)NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870889289 685595251 /nfs/dbraw/zinc/59/52/51/685595251.db2.gz ZMNAWBSZPNVOCX-COMQUAJESA-N 2 0 265.401 1.104 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868176556 685595318 /nfs/dbraw/zinc/59/53/18/685595318.db2.gz QUCBOYGWNGYFGL-SOUVJXGZSA-N 2 0 288.395 1.717 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000713276517 685595523 /nfs/dbraw/zinc/59/55/23/685595523.db2.gz LOPDRZXDOUROOV-KNCOVGOOSA-N 2 0 277.412 1.201 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CCCCCN2CC[NH2+]CC2)CCO1 ZINC000925846298 685610380 /nfs/dbraw/zinc/61/03/80/685610380.db2.gz VMVZZLBGJMRRLA-HUUCEWRRSA-N 2 0 269.433 1.219 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=[NH2+])N[C@@H]2C[C@@H]2C)C1 ZINC000864459290 684366318 /nfs/dbraw/zinc/36/63/18/684366318.db2.gz GKUZPGZIQVHCDM-YNEHKIRRSA-N 2 0 252.406 1.487 10 0 CDAERP [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000923298246 684380575 /nfs/dbraw/zinc/38/05/75/684380575.db2.gz UOLVMVSPFXTCGL-XKNYDFJKSA-N 2 0 252.280 1.111 10 0 CDAERP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@@H]3CCC4(COC4)O3)C2)C1 ZINC000930577016 684388063 /nfs/dbraw/zinc/38/80/63/684388063.db2.gz OWNYVVMXZDWTCN-GJZGRUSLSA-N 2 0 280.412 1.352 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H](CO)c1ccc(F)cc1 ZINC000926587516 684413156 /nfs/dbraw/zinc/41/31/56/684413156.db2.gz KNXJHEDOIJBQDO-QDSSRZTBSA-N 2 0 292.398 1.831 10 0 CDAERP c1csc([C@@H]2CC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)n1 ZINC000710467928 684451998 /nfs/dbraw/zinc/45/19/98/684451998.db2.gz PNOJJNCZAVQRJA-VXGBXAGGSA-N 2 0 251.399 1.932 10 0 CDAERP Clc1cccc(CN2CC[NH2+]CC[NH2+]CC2)c1 ZINC000923466059 684458566 /nfs/dbraw/zinc/45/85/66/684458566.db2.gz HVXHACFPWLQCJF-UHFFFAOYSA-N 2 0 253.777 1.335 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)C[C@H](C)O1 ZINC000930823765 684482757 /nfs/dbraw/zinc/48/27/57/684482757.db2.gz UUONZOIJMOVYBE-ZSHCYNCHSA-N 2 0 296.455 1.987 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCOC[C@@H]1CCCO1 ZINC000924584973 684490718 /nfs/dbraw/zinc/49/07/18/684490718.db2.gz JQTLWTRTEDUYRJ-QGPPMGRFSA-N 2 0 282.428 1.502 10 0 CDAERP COCC[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709798903 684496853 /nfs/dbraw/zinc/49/68/53/684496853.db2.gz IZTSZJXIWFLJMM-IVZWLZJFSA-N 2 0 254.296 1.480 10 0 CDAERP Cc1cncc(CC[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)n1 ZINC000925708921 684525811 /nfs/dbraw/zinc/52/58/11/684525811.db2.gz SLRZSCCKHNKXSA-ILXRZTDVSA-N 2 0 274.412 1.694 10 0 CDAERP [NH3+][C@H]1C[C@H]([NH2+]CCCNC(=O)c2cccs2)C12CCC2 ZINC000925600299 684554636 /nfs/dbraw/zinc/55/46/36/684554636.db2.gz VAWREVVTAIINHL-STQMWFEESA-N 2 0 293.436 1.728 10 0 CDAERP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CN2CCC[C@H]2CO1 ZINC000796746247 684565071 /nfs/dbraw/zinc/56/50/71/684565071.db2.gz QKLOERLCSINBQQ-XGUBFFRZSA-N 2 0 252.402 1.874 10 0 CDAERP COc1ccccc1OCC[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000165321675 684614227 /nfs/dbraw/zinc/61/42/27/684614227.db2.gz QTQZTNPUZNQWCX-UONOGXRCSA-N 2 0 278.396 1.991 10 0 CDAERP C[C@H](C(=O)NC1CCCC1)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923505135 684627605 /nfs/dbraw/zinc/62/76/05/684627605.db2.gz YTHPAXGFYKAGOP-UPJWGTAASA-N 2 0 267.417 1.350 10 0 CDAERP CCCc1noc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)n1 ZINC000723882865 684642564 /nfs/dbraw/zinc/64/25/64/684642564.db2.gz MGWIKVZAXSUKQE-GHMZBOCLSA-N 2 0 252.362 1.439 10 0 CDAERP C[N@@H+]1CCN(C(=O)[C@H]2CCc3cncn3C2)CCC1(C)C ZINC000871158341 684668844 /nfs/dbraw/zinc/66/88/44/684668844.db2.gz YPWSXPGOYJUDTM-ZDUSSCGKSA-N 2 0 290.411 1.388 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC000925506404 684693454 /nfs/dbraw/zinc/69/34/54/684693454.db2.gz RAAFIDXVZDWBLN-KBPBESRZSA-N 2 0 275.396 1.781 10 0 CDAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CCCc1ccncc1)CC2 ZINC000923453218 684699400 /nfs/dbraw/zinc/69/94/00/684699400.db2.gz WBSSNESVKFIXJZ-INIZCTEOSA-N 2 0 289.423 1.844 10 0 CDAERP C[C@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)C1CC[NH+](C)CC1 ZINC000723590049 684711491 /nfs/dbraw/zinc/71/14/91/684711491.db2.gz SGZBIFAFJYXBJO-STQMWFEESA-N 2 0 267.417 1.175 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000872305881 684758569 /nfs/dbraw/zinc/75/85/69/684758569.db2.gz PEPJLKWQRAQBMH-SQCNAZHOSA-N 2 0 277.412 1.247 10 0 CDAERP COC(=O)C1=CC[C@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000858469888 684762234 /nfs/dbraw/zinc/76/22/34/684762234.db2.gz BKWYDLUGZPZOCO-STQMWFEESA-N 2 0 266.385 1.711 10 0 CDAERP [NH3+]CCCCCC[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000385287280 684789944 /nfs/dbraw/zinc/78/99/44/684789944.db2.gz BLZLXPXVCUGKKV-SNVBAGLBSA-N 2 0 254.296 1.505 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925699892 684815290 /nfs/dbraw/zinc/81/52/90/684815290.db2.gz LVKUAMLFWKNGSN-MQYQWHSLSA-N 3 0 253.434 1.870 10 0 CDAERP C[NH+](C)CCCC1CC[NH+](C[C@@H]2C[C@H]3COC[C@@H]3O2)CC1 ZINC000930146899 684858077 /nfs/dbraw/zinc/85/80/77/684858077.db2.gz MHSCUYXYIAOHHT-ULQDDVLXSA-N 2 0 296.455 1.844 10 0 CDAERP C[NH+](C)C[C@@H](NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000218930530 684864173 /nfs/dbraw/zinc/86/41/73/684864173.db2.gz BKGDDCKTZYOQAB-BZUAXINKSA-N 2 0 289.423 1.923 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)CCC[NH2+]C2CC2)[C@@H](C)C1 ZINC000923324550 684872347 /nfs/dbraw/zinc/87/23/47/684872347.db2.gz HVRMUODKGRYDIO-DZGCQCFKSA-N 2 0 253.434 1.791 10 0 CDAERP CCO[C@@H](CN[C@@H](C)c1c[nH+]ccc1N)C[NH+](C)C ZINC000925838976 684879769 /nfs/dbraw/zinc/87/97/69/684879769.db2.gz OJHBJVFHJRRRLW-RYUDHWBXSA-N 2 0 266.389 1.111 10 0 CDAERP C[C@@H]1CN(C(=O)CC[NH2+]C(C)(C)C)C[C@H]1[NH+](C)C ZINC000123785478 684882248 /nfs/dbraw/zinc/88/22/48/684882248.db2.gz OTNWNNXOKHJVJQ-VXGBXAGGSA-N 2 0 255.406 1.173 10 0 CDAERP CCc1noc(C)c1C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923500706 684894961 /nfs/dbraw/zinc/89/49/61/684894961.db2.gz WXMOXEHZDCJOKU-ZYHUDNBSSA-N 2 0 251.374 1.962 10 0 CDAERP OC[C@H](NC[C@@H](O)C[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000782090506 684918161 /nfs/dbraw/zinc/91/81/61/684918161.db2.gz YFCVRGNNQMJSDW-CABCVRRESA-N 2 0 298.814 1.420 10 0 CDAERP CON1CCC([NH2+]Cc2ccc3c[nH+]cn3c2)CC1 ZINC000926566316 684945146 /nfs/dbraw/zinc/94/51/46/684945146.db2.gz HUMZTWOVPIARKV-UHFFFAOYSA-N 2 0 260.341 1.450 10 0 CDAERP CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000237081641 684958743 /nfs/dbraw/zinc/95/87/43/684958743.db2.gz XCZYXJPGZIQIRW-SWLSCSKDSA-N 2 0 277.412 1.738 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C[C@H]1CCC=CO1 ZINC000826904010 684961759 /nfs/dbraw/zinc/96/17/59/684961759.db2.gz VLVRTTMTYDIFPS-LSDHHAIUSA-N 2 0 269.433 1.541 10 0 CDAERP CC(=O)c1cccc(N[C@@H](C)CN(C)CCC[NH+](C)C)n1 ZINC000865933174 684966144 /nfs/dbraw/zinc/96/61/44/684966144.db2.gz GACKGFUKMGTUOB-ZDUSSCGKSA-N 2 0 292.427 1.968 10 0 CDAERP [NH3+]CC1(c2nc([C@@H]3CN4CCC[C@H]4CO3)no2)CCCC1 ZINC000252697387 684974892 /nfs/dbraw/zinc/97/48/92/684974892.db2.gz HCDCOBMDJMCOGU-RYUDHWBXSA-N 2 0 292.383 1.376 10 0 CDAERP CCCCCNC(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923496183 684985905 /nfs/dbraw/zinc/98/59/05/684985905.db2.gz GNKZQDOIHHHRAJ-QWHCGFSZSA-N 2 0 255.406 1.210 10 0 CDAERP CCOCCOCC[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000923388431 684986517 /nfs/dbraw/zinc/98/65/17/684986517.db2.gz OBENDPNABZRVIQ-MRXNPFEDSA-N 2 0 284.444 1.751 10 0 CDAERP Cc1cc([C@H]([NH3+])CC(=O)NCC[NH+](C)C)cc(Cl)n1 ZINC000831630633 685023878 /nfs/dbraw/zinc/02/38/78/685023878.db2.gz FOHXIKLXCUKCGE-LLVKDONJSA-N 2 0 284.791 1.111 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000713054149 685026116 /nfs/dbraw/zinc/02/61/16/685026116.db2.gz XZNDTVIZLPXFQH-MCIONIFRSA-N 2 0 281.444 1.739 10 0 CDAERP C(C[NH+]1CCNCCNCC1)C1CCCCCC1 ZINC000923461419 685032934 /nfs/dbraw/zinc/03/29/34/685032934.db2.gz WXPWHMQBSKAFPT-UHFFFAOYSA-N 2 0 253.434 1.842 10 0 CDAERP C[C@H]1[C@@H](NC(=O)NCc2cc(N(C)C)cc[nH+]2)CC[N@@H+]1C ZINC000924676894 685087889 /nfs/dbraw/zinc/08/78/89/685087889.db2.gz IANXGKPGWKBJDH-FZMZJTMJSA-N 2 0 291.399 1.039 10 0 CDAERP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)CO ZINC000925437122 685101025 /nfs/dbraw/zinc/10/10/25/685101025.db2.gz KEDNAHVZRJWWAI-ZNMIVQPWSA-N 2 0 286.460 1.872 10 0 CDAERP CC[C@@H]1CN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H](C)[NH2+]1 ZINC000856408573 685670443 /nfs/dbraw/zinc/67/04/43/685670443.db2.gz NQCIVRRSIMMQMX-ZENOOKHLSA-N 2 0 299.434 1.798 10 0 CDAERP CC[C@H](CN1CCOCC1)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925824285 685748672 /nfs/dbraw/zinc/74/86/72/685748672.db2.gz WOSWSZCGOSVESR-RBSFLKMASA-N 2 0 283.460 1.593 10 0 CDAERP C[NH+](C)C[C@@H]1CN(C(=O)c2ccco2)C[C@H]1C[NH+](C)C ZINC000705837438 685798219 /nfs/dbraw/zinc/79/82/19/685798219.db2.gz GIYNYNZRTWYSBL-CHWSQXEVSA-N 2 0 279.384 1.091 10 0 CDAERP CCc1onc(C)c1C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923490985 685801859 /nfs/dbraw/zinc/80/18/59/685801859.db2.gz GPWNDIBIPRMVKK-CMPLNLGQSA-N 2 0 251.374 1.962 10 0 CDAERP C([NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)C12CC(C1)C[NH2+]2 ZINC000925716960 685811412 /nfs/dbraw/zinc/81/14/12/685811412.db2.gz UABNDMMUFWIDPP-PEGGXJLSSA-N 2 0 250.386 1.533 10 0 CDAERP Cn1cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(Cl)n1 ZINC000857025049 685826166 /nfs/dbraw/zinc/82/61/66/685826166.db2.gz CTDCKNXADDNIFI-DGCLKSJQSA-N 2 0 282.819 1.990 10 0 CDAERP O=C(NC1CC1)[C@H]1CCC[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923307153 685826257 /nfs/dbraw/zinc/82/62/57/685826257.db2.gz XPGZEHZAZWVSRC-YPAMNDHTSA-N 2 0 291.439 1.650 10 0 CDAERP C[NH+]1CCC(CC[NH2+]C[C@H](O)c2ccc(F)cn2)CC1 ZINC000818988488 685828013 /nfs/dbraw/zinc/82/80/13/685828013.db2.gz ABFQEYOMOSASMH-HNNXBMFYSA-N 2 0 281.375 1.576 10 0 CDAERP CCCCNC(=O)CC[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923501206 685831611 /nfs/dbraw/zinc/83/16/11/685831611.db2.gz ZOWRFHPDRBPYRK-OLZOCXBDSA-N 2 0 255.406 1.210 10 0 CDAERP C[C@@H]1C[N@H+](CCCN[C@@H]2CC[NH2+]C23CCCC3)CCCO1 ZINC000925652282 685859682 /nfs/dbraw/zinc/85/96/82/685859682.db2.gz PIDGRBFHDPMNOH-HZPDHXFCSA-N 2 0 295.471 1.752 10 0 CDAERP C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000094753693 685871269 /nfs/dbraw/zinc/87/12/69/685871269.db2.gz GCNPISKDZVJIPT-XQQFMLRXSA-N 2 0 253.390 1.057 10 0 CDAERP CC(C)OCC[C@@H](O)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000923387547 685896113 /nfs/dbraw/zinc/89/61/13/685896113.db2.gz LWSZUUMERDMKKC-IAGOWNOFSA-N 2 0 298.471 1.874 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H](CNC(=[NH2+])N[C@@H]2C[C@H]2C)C1 ZINC000864460988 685896504 /nfs/dbraw/zinc/89/65/04/685896504.db2.gz KOAUFSSUAAIRIP-MGPQQGTHSA-N 2 0 266.433 1.877 10 0 CDAERP CC[C@H](C[C@@](C)(O)CC)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000924966328 685900435 /nfs/dbraw/zinc/90/04/35/685900435.db2.gz SAPBZRSIVFPSAP-XHSDSOJGSA-N 2 0 285.476 1.542 10 0 CDAERP CC[C@H]1C[C@@H](C[N@H+](C)CCN2CC[NH2+]CC2)CCO1 ZINC000843052592 685908951 /nfs/dbraw/zinc/90/89/51/685908951.db2.gz OEKLDSANDXFRNN-GJZGRUSLSA-N 2 0 269.433 1.029 10 0 CDAERP Cn1nnc2c1CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)C2 ZINC000925714724 685976466 /nfs/dbraw/zinc/97/64/66/685976466.db2.gz VQLLGHCOSFXEPV-SDDRHHMPSA-N 2 0 277.416 1.168 10 0 CDAERP Cc1ccc([C@H](O)C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000923493296 686148611 /nfs/dbraw/zinc/14/86/11/686148611.db2.gz RSLOPYHLXZSRSA-CWRNSKLLSA-N 2 0 262.397 1.945 10 0 CDAERP CCOC(=O)/C=C/C[N@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000931380603 686160006 /nfs/dbraw/zinc/16/00/06/686160006.db2.gz MOIUMLFFJHAGPX-AATRIKPKSA-N 2 0 298.427 1.396 10 0 CDAERP O=C(NCCC1CC[NH2+]CC1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000846216343 686190931 /nfs/dbraw/zinc/19/09/31/686190931.db2.gz ZPBKSWLENFJVKK-MRXNPFEDSA-N 2 0 294.443 1.161 10 0 CDAERP Cc1noc(C)c1CCC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000817900385 686214335 /nfs/dbraw/zinc/21/43/35/686214335.db2.gz SFHBROXFNISGAY-JSGCOSHPSA-N 2 0 251.374 1.941 10 0 CDAERP OC1(C[N@@H+]2CCC[C@H](N3CCOCC3)CC2)CCCCC1 ZINC000852009851 686225392 /nfs/dbraw/zinc/22/53/92/686225392.db2.gz PLYNSKGXYYPGIA-INIZCTEOSA-N 2 0 296.455 1.868 10 0 CDAERP FC(F)(F)[C@H]1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)O1 ZINC000722392946 686271468 /nfs/dbraw/zinc/27/14/68/686271468.db2.gz XVCCMHMAVUDFGE-JQYRIEHKSA-N 2 0 278.318 1.969 10 0 CDAERP C[N@H+](CCCC[NH+]1CCCCC1)C[C@H](O)C1(O)CCCC1 ZINC000931703251 686348742 /nfs/dbraw/zinc/34/87/42/686348742.db2.gz HYOVDMCZEIHTTF-INIZCTEOSA-N 2 0 298.471 1.850 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C[C@@H]1C ZINC000872285690 686354985 /nfs/dbraw/zinc/35/49/85/686354985.db2.gz CPQDODBCYJILPS-RGHULWKBSA-N 2 0 279.428 1.445 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]CCN2CCc3sccc3C2)C12CCC2 ZINC000925490788 686456081 /nfs/dbraw/zinc/45/60/81/686456081.db2.gz CFGQOAQBXUDZSZ-CABCVRRESA-N 2 0 291.464 1.966 10 0 CDAERP Cc1cc(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)ccn1 ZINC000923442912 686612970 /nfs/dbraw/zinc/61/29/70/686612970.db2.gz CPVIJORGDNXFLC-OAHLLOKOSA-N 2 0 275.396 1.720 10 0 CDAERP C[N@@H+]1CC[C@H](NC[C@@H]2C[NH2+]CCC2(F)F)[C@H]2CCC[C@H]21 ZINC000925777498 686626408 /nfs/dbraw/zinc/62/64/08/686626408.db2.gz PGTJJGJSXHNHCB-RFQIPJPRSA-N 2 0 287.398 1.694 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)CC[NH2+]CC2CC2)C1 ZINC000870988086 686654565 /nfs/dbraw/zinc/65/45/65/686654565.db2.gz GANNBPFIEUFQRP-INIZCTEOSA-N 2 0 281.444 1.600 10 0 CDAERP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000925011049 686748962 /nfs/dbraw/zinc/74/89/62/686748962.db2.gz PJBRLJSXZJTUAV-ILXRZTDVSA-N 2 0 254.418 1.979 10 0 CDAERP C[C@H]1C[C@H]([NH2+]CCCCCN2CC[NH2+]CC2)CCO1 ZINC000925846299 686778244 /nfs/dbraw/zinc/77/82/44/686778244.db2.gz VMVZZLBGJMRRLA-LSDHHAIUSA-N 2 0 269.433 1.219 10 0 CDAERP CCN(C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000855361671 686821278 /nfs/dbraw/zinc/82/12/78/686821278.db2.gz GTDMBXFTGYDAHS-CJNGLKHVSA-N 2 0 299.434 1.752 10 0 CDAERP Cc1ccncc1C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931482972 686824560 /nfs/dbraw/zinc/82/45/60/686824560.db2.gz SBRFZSLWHFRVGN-UHFFFAOYSA-N 2 0 263.385 1.279 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCc3ccns3)C[C@H]21 ZINC000719850768 686829628 /nfs/dbraw/zinc/82/96/28/686829628.db2.gz CZWDWVYXUZZUIU-RAIGVLPGSA-N 2 0 251.399 1.745 10 0 CDAERP CN1Cc2ccccc2[C@@H]1CNC(=O)CCCCC[NH3+] ZINC000870980164 686833514 /nfs/dbraw/zinc/83/35/14/686833514.db2.gz YDFYFHPIWDCMMI-HNNXBMFYSA-N 2 0 275.396 1.808 10 0 CDAERP CC[NH+](CC)CCSCC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000928450784 686838020 /nfs/dbraw/zinc/83/80/20/686838020.db2.gz SJTWMEHCXVXQFD-QWHCGFSZSA-N 2 0 287.473 1.270 10 0 CDAERP [NH3+]C[C@@H]1C[N@H+](CCCC2CC[NH2+]CC2)C[C@@H]1C(F)(F)F ZINC000872149858 686875965 /nfs/dbraw/zinc/87/59/65/686875965.db2.gz RHICKQBNSFFWGL-OLZOCXBDSA-N 3 0 293.377 1.835 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000722529988 686979729 /nfs/dbraw/zinc/97/97/29/686979729.db2.gz ICRWGBYCXMDWJM-ZIAGYGMSSA-N 2 0 281.444 1.613 10 0 CDAERP [NH3+]CC12CCC(CC1)CN2C[C@@H](O)c1ccccc1 ZINC000923393336 686982682 /nfs/dbraw/zinc/98/26/82/686982682.db2.gz OPBBEDMYVWAUAF-OGVSOVDVSA-N 2 0 260.381 1.923 10 0 CDAERP CCC[C@H](C(=O)OCC)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923499055 687001718 /nfs/dbraw/zinc/00/17/18/687001718.db2.gz QPFFDISCGBEUSD-FRRDWIJNSA-N 2 0 256.390 1.635 10 0 CDAERP C[C@@H](CNC(=O)CCC12CC(C1)C[NH2+]2)[N@H+](C)C1CC1 ZINC000870880764 687012678 /nfs/dbraw/zinc/01/26/78/687012678.db2.gz NYJVLJTUQNYOMY-BZUNDVKYSA-N 2 0 265.401 1.118 10 0 CDAERP CC[NH+](CC)CCN(CC(C)C)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091546769 687025323 /nfs/dbraw/zinc/02/53/23/687025323.db2.gz JBCNZJPOKVJVLJ-GJZGRUSLSA-N 2 0 283.460 1.940 10 0 CDAERP C[N@H+](CCN1CC[NH2+]CC1)C[C@H]1CC(C)(C)OC1(C)C ZINC000709755661 687039690 /nfs/dbraw/zinc/03/96/90/687039690.db2.gz QLUYDANXTCFUOM-CQSZACIVSA-N 2 0 283.460 1.417 10 0 CDAERP Cc1nnc([C@H](C)ONC(=[NH2+])[C@H]2CN(C(C)C)CCO2)o1 ZINC000779652725 687044880 /nfs/dbraw/zinc/04/48/80/687044880.db2.gz HZDXAJYTALMSGC-GXSJLCMTSA-N 2 0 297.359 1.047 10 0 CDAERP NC(=O)CC1CC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000718465026 687049466 /nfs/dbraw/zinc/04/94/66/687049466.db2.gz RBIRNFNLFGEVAK-QXRZNBQRSA-N 2 0 279.428 1.541 10 0 CDAERP CCC[NH+](CCC)CCCNC1=[NH+]CCCCN1 ZINC000849215338 687051708 /nfs/dbraw/zinc/05/17/08/687051708.db2.gz DHDUBYQJHRYZJB-UHFFFAOYSA-N 2 0 254.422 1.828 10 0 CDAERP C[N@@H+](Cc1cccc2c1CC[NH2+]C2)C[C@H]1CC[NH+](C)C1 ZINC000123973824 687062507 /nfs/dbraw/zinc/06/25/07/687062507.db2.gz SEOANCXHLBZDBM-AWEZNQCLSA-N 2 0 273.424 1.716 10 0 CDAERP C[NH+]1CCC(C[NH2+]C[C@@H]2C[C@H]3CCC[C@@H]3O2)CC1 ZINC000720879358 687075436 /nfs/dbraw/zinc/07/54/36/687075436.db2.gz JHIYLAZSDSIUFQ-ILXRZTDVSA-N 2 0 252.402 1.875 10 0 CDAERP COCCOC1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000923313261 687132936 /nfs/dbraw/zinc/13/29/36/687132936.db2.gz RMOVFLWRXKPXCR-UHFFFAOYSA-N 2 0 256.390 1.256 10 0 CDAERP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1cccnc1-n1ccnc1 ZINC000841096530 687146643 /nfs/dbraw/zinc/14/66/43/687146643.db2.gz XBPSZMGGAJMRKG-HIFRSBDPSA-N 2 0 285.395 1.888 10 0 CDAERP Cc1cc(C)n(CC[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)n1 ZINC000923443013 687148137 /nfs/dbraw/zinc/14/81/37/687148137.db2.gz FCBRSNFFSACQRD-HNNXBMFYSA-N 2 0 292.427 1.330 10 0 CDAERP CCO[C@H](C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)C1CC1 ZINC000863544321 687154119 /nfs/dbraw/zinc/15/41/19/687154119.db2.gz QQBUIZNEUYFHHU-CABCVRRESA-N 2 0 252.402 1.877 10 0 CDAERP C[NH+]1C[C@]2(C)CN(CCc3cscn3)C[C@@]2(C)C1 ZINC000931313849 687268989 /nfs/dbraw/zinc/26/89/89/687268989.db2.gz GXYSUBUUCIHKSY-ZIAGYGMSSA-N 2 0 265.426 1.959 10 0 CDAERP C[NH+](C)C[C@@H](NC(=O)[C@@H]([NH3+])CC1CC1)c1ccccc1 ZINC000312426226 687324636 /nfs/dbraw/zinc/32/46/36/687324636.db2.gz SXFIYJXSMSOGAH-LSDHHAIUSA-N 2 0 275.396 1.533 10 0 CDAERP CC[NH2+]CC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000818592739 687393054 /nfs/dbraw/zinc/39/30/54/687393054.db2.gz HNTKPRNMBXDSGK-UHFFFAOYSA-N 2 0 251.305 1.019 10 0 CDAERP C[NH+](C)CCOCC[NH2+]Cc1ccnn1C1CCC1 ZINC000922008767 687427744 /nfs/dbraw/zinc/42/77/44/687427744.db2.gz OPFFPXMKTBTJKW-UHFFFAOYSA-N 2 0 266.389 1.276 10 0 CDAERP C[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1nccs1 ZINC000925843628 687455330 /nfs/dbraw/zinc/45/53/30/687455330.db2.gz GIMSIAPHXXWHMI-CYBMUJFWSA-N 2 0 282.457 1.869 10 0 CDAERP O[C@@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)C1(O)CCC1 ZINC000929278474 687467798 /nfs/dbraw/zinc/46/77/98/687467798.db2.gz YZZQGVKEJFBYFQ-HNNXBMFYSA-N 2 0 282.428 1.070 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]CCOc2ccc(Cl)cn2)C12CCC2 ZINC000925588033 687528106 /nfs/dbraw/zinc/52/81/06/687528106.db2.gz MLBGCUPAEMKVNI-NEPJUHHUSA-N 2 0 281.787 1.973 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925791553 687556771 /nfs/dbraw/zinc/55/67/71/687556771.db2.gz AZFXHPAHWSDDAN-DZUCGIPZSA-N 3 0 279.472 1.990 10 0 CDAERP C[NH+](C)CC1(O)CC[NH+](C[C@@H]2CCC(C)(C)CO2)CC1 ZINC000713571120 687573373 /nfs/dbraw/zinc/57/33/73/687573373.db2.gz PZKNJGKFXIPHDS-AWEZNQCLSA-N 2 0 284.444 1.580 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1cc(CO)on1 ZINC000926687428 687639361 /nfs/dbraw/zinc/63/93/61/687639361.db2.gz YAMPLKMVWDABHL-STQMWFEESA-N 2 0 298.431 1.090 10 0 CDAERP C[C@H]([NH3+])[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)OC2(C)C)CCO1 ZINC000709702972 687669813 /nfs/dbraw/zinc/66/98/13/687669813.db2.gz QMVVKWBHUKEJBC-AVGNSLFASA-N 2 0 270.417 1.628 10 0 CDAERP [NH3+][C@H](C[C@@H]1CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1)C1CCCC1 ZINC000923428799 687685127 /nfs/dbraw/zinc/68/51/27/687685127.db2.gz ZUPAXDXVQKDKCU-RKOFLFEYSA-N 3 0 295.471 1.457 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](C[C@H](O)Cc1ccccc1)C2 ZINC000923408857 687703856 /nfs/dbraw/zinc/70/38/56/687703856.db2.gz GUFVZSZRRUEERV-ZACQAIPSSA-N 2 0 274.408 1.521 10 0 CDAERP CCc1noc([C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3C[NH3+])C2)n1 ZINC000925872875 687706836 /nfs/dbraw/zinc/70/68/36/687706836.db2.gz KQKRBLATPYEHCL-FVCCEPFGSA-N 2 0 278.400 1.985 10 0 CDAERP CN(C[C@H](O)C[NH2+][C@H]1C[C@H](C(=O)OC(C)(C)C)C1)C1CC1 ZINC000872246638 687722967 /nfs/dbraw/zinc/72/29/67/687722967.db2.gz FGPMENNBJLNKBW-YRGRVCCFSA-N 2 0 298.427 1.151 10 0 CDAERP CCN1C[C@H](CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)OC1=O ZINC000846813178 687750736 /nfs/dbraw/zinc/75/07/36/687750736.db2.gz YTWSUDCYJCECIE-AVGNSLFASA-N 2 0 269.389 1.242 10 0 CDAERP CCO[C@H](CN[C@@H]1CCCC[C@@H]1C[NH3+])C[NH+](C)C ZINC000925842112 687822464 /nfs/dbraw/zinc/82/24/64/687822464.db2.gz WIIQJSOEZPMHMF-MGPQQGTHSA-N 2 0 257.422 1.060 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+][C@@H]2C[C@@H]3CC[C@@H](C3)C2)CC1 ZINC000711191436 687832273 /nfs/dbraw/zinc/83/22/73/687832273.db2.gz FJHGQZOVXOURRK-BTTYYORXSA-N 2 0 252.402 1.611 10 0 CDAERP CC[NH+](CC)CCCCNC(=O)C=C1CC[NH2+]CC1 ZINC000852858656 687833671 /nfs/dbraw/zinc/83/36/71/687833671.db2.gz FTIUMPZPYUAWKI-UHFFFAOYSA-N 2 0 267.417 1.534 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000713276515 687837672 /nfs/dbraw/zinc/83/76/72/687837672.db2.gz LOPDRZXDOUROOV-DSJMHWKBSA-N 2 0 277.412 1.201 10 0 CDAERP CN1C[C@]2(C)C[NH+](CCC(=O)N3CCCCC3)C[C@@]2(C)C1 ZINC000931305349 687837845 /nfs/dbraw/zinc/83/78/45/687837845.db2.gz DLPOTZXIHLDRGK-IAGOWNOFSA-N 2 0 293.455 1.663 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)N1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000868218296 687843986 /nfs/dbraw/zinc/84/39/86/687843986.db2.gz CZZCMBJWEKCWAX-KBPBESRZSA-N 2 0 282.432 1.062 10 0 CDAERP CC(C)NC(=O)CC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925594545 687845391 /nfs/dbraw/zinc/84/53/91/687845391.db2.gz NSCONOVPNNHBKY-HUUCEWRRSA-N 2 0 281.444 1.659 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925552766 687865182 /nfs/dbraw/zinc/86/51/82/687865182.db2.gz YZKUHGIOUVZLOK-RDBSUJKOSA-N 2 0 251.418 1.720 10 0 CDAERP OCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716714642 687887200 /nfs/dbraw/zinc/88/72/00/687887200.db2.gz VAUGIQGDRLIRCA-JYJNAYRXSA-N 2 0 260.381 1.621 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H](C)[C@H](O)c1ccc(F)cc1 ZINC000817913669 687893524 /nfs/dbraw/zinc/89/35/24/687893524.db2.gz QFEFEOMYIDEGGD-UGFHNGPFSA-N 2 0 284.375 1.591 10 0 CDAERP C(C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1)O[C@@H]1CCOC1 ZINC000923510160 687914130 /nfs/dbraw/zinc/91/41/30/687914130.db2.gz WBGNWADHIJYFJT-DOTOQJQBSA-N 2 0 296.455 1.894 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCn2ccnc2C1 ZINC000926228783 687952495 /nfs/dbraw/zinc/95/24/95/687952495.db2.gz JBEODLTTXMNXSV-WORDMNGFSA-N 3 0 260.385 1.128 10 0 CDAERP [NH3+]CCCCC(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000843341787 687966829 /nfs/dbraw/zinc/96/68/29/687966829.db2.gz GUZQMOMUUFGXAP-UHFFFAOYSA-N 2 0 261.369 1.554 10 0 CDAERP OCCC1(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925645235 688003252 /nfs/dbraw/zinc/00/32/52/688003252.db2.gz PBGZWZCDBKAQOA-GJZGRUSLSA-N 2 0 266.429 1.907 10 0 CDAERP C[C@@H]([NH2+]C[C@H]1COCCN1C)c1cccc(C[NH+](C)C)c1 ZINC000926759453 688052617 /nfs/dbraw/zinc/05/26/17/688052617.db2.gz FOAMEVOGJYYFDZ-PBHICJAKSA-N 2 0 291.439 1.729 10 0 CDAERP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)CCC12CC(C1)C[NH2+]2 ZINC000870921069 688118027 /nfs/dbraw/zinc/11/80/27/688118027.db2.gz LEOBVTNKJUKORV-CBCUQQMYSA-N 2 0 293.455 1.707 10 0 CDAERP c1cnc(NCC[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)cn1 ZINC000925556457 688122355 /nfs/dbraw/zinc/12/23/55/688122355.db2.gz LFMNZZRMCQHFFG-LSDHHAIUSA-N 2 0 289.427 1.646 10 0 CDAERP NC(=O)CC1CC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000718465015 688140603 /nfs/dbraw/zinc/14/06/03/688140603.db2.gz RBIRNFNLFGEVAK-IPOFZDNWSA-N 2 0 279.428 1.541 10 0 CDAERP C[C@H](C[NH2+][C@@H](C1CC1)[C@H]1CCCOC1)C[NH+](C)C ZINC000926469916 688161519 /nfs/dbraw/zinc/16/15/19/688161519.db2.gz IBLPGHBHYCNYGY-SNPRPXQTSA-N 2 0 254.418 1.979 10 0 CDAERP C[C@@H]1CCCN1C(=O)CCN1CCc2[nH+]ccc(N)c2C1 ZINC000931513241 688189779 /nfs/dbraw/zinc/18/97/79/688189779.db2.gz SMGTUTBHXDZPDS-GFCCVEGCSA-N 2 0 288.395 1.423 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]CCCF ZINC001266854422 1158907899 /nfs/dbraw/zinc/90/78/99/1158907899.db2.gz NURYFBKMRBJHPV-CQSZACIVSA-N 2 0 287.423 1.657 10 0 CDAERP CCCCC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001691108569 1158911230 /nfs/dbraw/zinc/91/12/30/1158911230.db2.gz MCJWXDBFUWVLRZ-HNNXBMFYSA-N 2 0 281.444 1.853 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001691164146 1158940528 /nfs/dbraw/zinc/94/05/28/1158940528.db2.gz OJDXCFALMMSXAJ-CTYIDZIISA-N 2 0 281.444 1.613 10 0 CDAERP CCC[NH2+]C[C@H](NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001670517330 1158628085 /nfs/dbraw/zinc/62/80/85/1158628085.db2.gz NWMJLVOTOQTYNS-AWEZNQCLSA-N 2 0 267.417 1.223 10 0 CDAERP CCC[NH2+]C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001670517331 1158628101 /nfs/dbraw/zinc/62/81/01/1158628101.db2.gz NWMJLVOTOQTYNS-CQSZACIVSA-N 2 0 267.417 1.223 10 0 CDAERP C1CC2(c3nc([C@@H]4C[NH+]5CCC4CC5)no3)CCC1[NH2+]2 ZINC001772534408 1158761642 /nfs/dbraw/zinc/76/16/42/1158761642.db2.gz BHIXZGHQUJVUOS-MQYJIDSJSA-N 2 0 274.368 1.620 10 0 CDAERP C[C@H](C(=O)N(C)CC[NH2+]CCF)[NH+]1CCCCCC1 ZINC001691500241 1159853837 /nfs/dbraw/zinc/85/38/37/1159853837.db2.gz KYDXALQPGFZGFJ-CYBMUJFWSA-N 2 0 273.396 1.268 10 0 CDAERP CCC[N@@H+]1CC[C@]2(NC(=O)[C@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001410890141 1161960694 /nfs/dbraw/zinc/96/06/94/1161960694.db2.gz DSAKSDXTOXCPJV-SQWLQELKSA-N 2 0 281.444 1.850 10 0 CDAERP C/C(=C\C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C1CC1 ZINC000870022883 1165133224 /nfs/dbraw/zinc/13/32/24/1165133224.db2.gz BTPDUHYFANRVHU-JVPVSYIYSA-N 2 0 293.455 1.541 10 0 CDAERP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]CCC(F)(F)F)CC[N@@H+]1C ZINC001567497037 1168813428 /nfs/dbraw/zinc/81/34/28/1168813428.db2.gz HFXQXDDJPDIFAN-GHMZBOCLSA-N 2 0 295.349 1.327 10 0 CDAERP CC[C@H](C(=O)N(C)CC[NH2+]Cc1cccnc1C)[NH+](C)C ZINC001567591128 1168876113 /nfs/dbraw/zinc/87/61/13/1168876113.db2.gz XOJSWDRJTLMAJN-OAHLLOKOSA-N 2 0 292.427 1.278 10 0 CDAERP CC/C=C/CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCCC1 ZINC001567865967 1169028234 /nfs/dbraw/zinc/02/82/34/1169028234.db2.gz DYMXUZDPJRWYLC-PIGHNIFASA-N 2 0 291.439 1.724 10 0 CDAERP CCC[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001568300522 1169231128 /nfs/dbraw/zinc/23/11/28/1169231128.db2.gz SDNRBVKDIIHDCP-CHWSQXEVSA-N 2 0 255.406 1.175 10 0 CDAERP CCCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001568411586 1169277761 /nfs/dbraw/zinc/27/77/61/1169277761.db2.gz GNOUXTNPSLILCX-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001671246736 1169433630 /nfs/dbraw/zinc/43/36/30/1169433630.db2.gz WWAIJQIARFUTNT-OLZOCXBDSA-N 2 0 255.406 1.316 10 0 CDAERP C[NH+](C)CCC(=O)NC/C=C/C[NH2+]Cc1ccc(F)cc1 ZINC001568912860 1169545095 /nfs/dbraw/zinc/54/50/95/1169545095.db2.gz RKTKXVKUOVUZIS-ONEGZZNKSA-N 2 0 293.386 1.539 10 0 CDAERP CC[C@@H](C)C[NH2+]CCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001569203053 1169719146 /nfs/dbraw/zinc/71/91/46/1169719146.db2.gz NYSIHDMCYMJHHQ-GDBMZVCRSA-N 2 0 295.471 1.812 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CCC[NH2+]CCF)C1 ZINC001569232472 1169729683 /nfs/dbraw/zinc/72/96/83/1169729683.db2.gz WZHPRSNBYFUMEK-CQSZACIVSA-N 2 0 287.423 1.516 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCCF ZINC001569544627 1169918771 /nfs/dbraw/zinc/91/87/71/1169918771.db2.gz WTWVQTVWPLTSBR-GJZGRUSLSA-N 2 0 299.434 1.801 10 0 CDAERP CCOC(=O)[C@@H](C)[C@H](C)[NH2+]CCC[NH+](CC)CC ZINC001658137157 1172014066 /nfs/dbraw/zinc/01/40/66/1172014066.db2.gz BFDKWZBNUSLNMO-STQMWFEESA-N 2 0 258.406 1.896 10 0 CDAERP CCOCCC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001660855178 1172290629 /nfs/dbraw/zinc/29/06/29/1172290629.db2.gz ADGRRQVBLSDBKJ-HNNXBMFYSA-N 2 0 297.443 1.089 10 0 CDAERP CN(CC[NH2+]Cc1ccns1)C(=O)C1CC[NH+](C)CC1 ZINC001664159798 1172818918 /nfs/dbraw/zinc/81/89/18/1172818918.db2.gz ADIGZUXYDJKTLT-UHFFFAOYSA-N 2 0 296.440 1.033 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)C(C)C ZINC001667059137 1173227976 /nfs/dbraw/zinc/22/79/76/1173227976.db2.gz NVAJDSYPOIQNBL-AWEZNQCLSA-N 2 0 271.449 1.809 10 0 CDAERP CN(CCC[NH2+]CC1CC1)C(=O)C[N@H+](C)C1CCC1 ZINC001670127761 1173655987 /nfs/dbraw/zinc/65/59/87/1173655987.db2.gz NQOYAXDSPHZATQ-UHFFFAOYSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]CC1CC1 ZINC001672306123 1173764433 /nfs/dbraw/zinc/76/44/33/1173764433.db2.gz SUBZFRPPSXQJSL-JSGCOSHPSA-N 2 0 267.417 1.032 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CC[C@H](CC[NH2+]CC3CC3)C2)CC[N@@H+]1C ZINC001672796400 1173800865 /nfs/dbraw/zinc/80/08/65/1173800865.db2.gz ODXXHCPZFHHBAV-VNQPRFMTSA-N 2 0 293.455 1.565 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](CC[NH2+]CCCF)C2)C1 ZINC001672911191 1173809258 /nfs/dbraw/zinc/80/92/58/1173809258.db2.gz RHWSMYLWEQHFHN-UONOGXRCSA-N 2 0 285.407 1.126 10 0 CDAERP CCC/C=C/CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001690366961 1175451855 /nfs/dbraw/zinc/45/18/55/1175451855.db2.gz WNSZKQTWXZJAOI-YEHCYSSBSA-N 2 0 293.455 1.921 10 0 CDAERP CCC[NH2+]C[C@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001690713801 1175554438 /nfs/dbraw/zinc/55/44/38/1175554438.db2.gz XLDQOXOJRVACDL-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1CCCF ZINC001690890513 1175601906 /nfs/dbraw/zinc/60/19/06/1175601906.db2.gz VLXYGOXWMSBQMU-GJZGRUSLSA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)COCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001692389092 1175757782 /nfs/dbraw/zinc/75/77/82/1175757782.db2.gz RKZMATISVROUTE-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001698675222 1175893016 /nfs/dbraw/zinc/89/30/16/1175893016.db2.gz VHMQKWUDUKFOCR-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCCOC ZINC001698861315 1175968015 /nfs/dbraw/zinc/96/80/15/1175968015.db2.gz OUXUBNYVTMRLEC-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]CCF ZINC001698910388 1175983054 /nfs/dbraw/zinc/98/30/54/1175983054.db2.gz YIEAOKQJNSWBTG-KGLIPLIRSA-N 2 0 285.407 1.411 10 0 CDAERP CCN(CC[NH2+]CC1CCC1)C(=O)Cn1ccnc1C ZINC001699216979 1176143435 /nfs/dbraw/zinc/14/34/35/1176143435.db2.gz FOZJZAQEVHDVLC-UHFFFAOYSA-N 2 0 278.400 1.430 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC1CC1 ZINC001699261472 1176185651 /nfs/dbraw/zinc/18/56/51/1176185651.db2.gz FGKANHKLOAHXHA-ABCZVMIZSA-N 2 0 279.428 1.533 10 0 CDAERP Cc1ccncc1C[NH2+]C/C=C\CNC(=O)CC[NH+](C)C ZINC001699299714 1176206935 /nfs/dbraw/zinc/20/69/35/1176206935.db2.gz PCDPMWIMZVHGCS-PLNGDYQASA-N 2 0 290.411 1.104 10 0 CDAERP COCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001699365052 1176319726 /nfs/dbraw/zinc/31/97/26/1176319726.db2.gz BLDVEDXIAYXGIG-UKRRQHHQSA-N 2 0 297.443 1.134 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+]CCC(F)(F)F ZINC001699387079 1176346496 /nfs/dbraw/zinc/34/64/96/1176346496.db2.gz VBRWYDTWUHNUIV-SNVBAGLBSA-N 2 0 283.338 1.375 10 0 CDAERP CC(C)C[N@H+](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001699467055 1176427907 /nfs/dbraw/zinc/42/79/07/1176427907.db2.gz FSBWLKXQRDBELH-CYBMUJFWSA-N 2 0 267.417 1.175 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@@]1(C)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001699857682 1176659622 /nfs/dbraw/zinc/65/96/22/1176659622.db2.gz UZADTRIBWGDGAH-GDBMZVCRSA-N 2 0 299.434 1.659 10 0 CDAERP C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C[NH2+]CCCF ZINC001699960570 1176698361 /nfs/dbraw/zinc/69/83/61/1176698361.db2.gz GZTMZVUCYGWIDV-KBPBESRZSA-N 2 0 299.434 1.514 10 0 CDAERP CCCCC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001700274343 1176828169 /nfs/dbraw/zinc/82/81/69/1176828169.db2.gz NNYXOQSEEFLXFX-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CCOCC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@H]1C ZINC001700318692 1176846889 /nfs/dbraw/zinc/84/68/89/1176846889.db2.gz VNFBOCLMJHPLLB-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CC(C)(C)C[NH2+]CCF)C1 ZINC001700445996 1176932377 /nfs/dbraw/zinc/93/23/77/1176932377.db2.gz VNEQUJKMJQBPTH-CYBMUJFWSA-N 2 0 287.423 1.372 10 0 CDAERP CC(C)CCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001700820421 1177149566 /nfs/dbraw/zinc/14/95/66/1177149566.db2.gz BTNHDQPOFABNRG-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP CC[NH2+][C@H]1C[C@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001700852336 1177165374 /nfs/dbraw/zinc/16/53/74/1177165374.db2.gz VNOHQQIUZYCAQO-STQMWFEESA-N 2 0 255.406 1.317 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCCC[NH+](C)CC1CCC1 ZINC001712991351 1178288690 /nfs/dbraw/zinc/28/86/90/1178288690.db2.gz QPFPAHQSJPUDMT-UHFFFAOYSA-N 2 0 269.433 1.565 10 0 CDAERP CN(CC[NH2+]CCC(C)(C)C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001713605026 1178677195 /nfs/dbraw/zinc/67/71/95/1178677195.db2.gz BNGZXPCOSGFVIR-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP CN(CC[NH2+]Cc1ccccc1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001713605360 1178678070 /nfs/dbraw/zinc/67/80/70/1178678070.db2.gz JYWCEUMKAUFNIV-INIZCTEOSA-N 2 0 289.423 1.719 10 0 CDAERP CCCCCC[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001713924815 1178850451 /nfs/dbraw/zinc/85/04/51/1178850451.db2.gz UKNBSSUILDTYTR-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP C[NH+](C)CCCC(=O)N1CCC[C@@H](C[NH2+]CCC2CC2)C1 ZINC001714081193 1178965322 /nfs/dbraw/zinc/96/53/22/1178965322.db2.gz RXVBUGRQIPQBKN-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001714235530 1179037670 /nfs/dbraw/zinc/03/76/70/1179037670.db2.gz JYJYOIMWZYPLJR-UONOGXRCSA-N 2 0 269.433 1.610 10 0 CDAERP CC/C=C/CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001714674441 1179317270 /nfs/dbraw/zinc/31/72/70/1179317270.db2.gz GHEGKILHDXVRSC-RGDDUWESSA-N 2 0 293.455 1.875 10 0 CDAERP C[C@H](C[NH2+]C/C=C\Cl)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001714746763 1179372788 /nfs/dbraw/zinc/37/27/88/1179372788.db2.gz BZOGIRNKQXVAED-FSMZVQOTSA-N 2 0 287.835 1.517 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]CCC(F)(F)F)C1 ZINC001714755408 1179378725 /nfs/dbraw/zinc/37/87/25/1179378725.db2.gz JNJXREZWALBMOT-LLVKDONJSA-N 2 0 295.349 1.329 10 0 CDAERP CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001714880483 1179435290 /nfs/dbraw/zinc/43/52/90/1179435290.db2.gz LVDNYCXZCWSTAO-CHWSQXEVSA-N 2 0 255.406 1.317 10 0 CDAERP CCN(CC[NH2+]CCO)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001715742380 1179787293 /nfs/dbraw/zinc/78/72/93/1179787293.db2.gz BZHIYTHLAIYSKO-UHFFFAOYSA-N 2 0 299.459 1.070 10 0 CDAERP CCN(CC[NH2+]CC(C)C)C(=O)C1CC[NH+](C)CC1 ZINC001715757235 1179792399 /nfs/dbraw/zinc/79/23/99/1179792399.db2.gz YBGJSPSIAYQVSC-UHFFFAOYSA-N 2 0 269.433 1.422 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC/C=C\C[NH2+][C@H](C)COC)CC[N@@H+]1C ZINC001715816835 1179843402 /nfs/dbraw/zinc/84/34/02/1179843402.db2.gz IZVVQRWIZPXIBC-ANIPRKEASA-N 2 0 297.443 1.014 10 0 CDAERP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+]CCC2CC2)CC[N@@H+]1C ZINC001715822146 1179848812 /nfs/dbraw/zinc/84/88/12/1179848812.db2.gz WWMPWUUKQLORON-SQLJOLKNSA-N 2 0 279.428 1.389 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CCCF ZINC001715877978 1179892135 /nfs/dbraw/zinc/89/21/35/1179892135.db2.gz NRMASWALWDHYTR-MBVDDHJVSA-N 2 0 299.434 1.871 10 0 CDAERP C[C@H](C[NH2+]CC[C@@H]1CCCO1)NC(=O)C1([NH+](C)C)CCC1 ZINC001715934002 1179928065 /nfs/dbraw/zinc/92/80/65/1179928065.db2.gz VMEGRHVQUAHUMG-KGLIPLIRSA-N 2 0 297.443 1.134 10 0 CDAERP C[C@H](C[NH2+]CCC1CC1)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001715958971 1179941940 /nfs/dbraw/zinc/94/19/40/1179941940.db2.gz XSCOTJFDRUXOFW-CJNGLKHVSA-N 2 0 279.428 1.367 10 0 CDAERP C[C@H](CC[NH2+]CCCF)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001716150522 1180074375 /nfs/dbraw/zinc/07/43/75/1180074375.db2.gz IZWOVMOWPYPURG-CHWSQXEVSA-N 2 0 273.396 1.315 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]CC=C(C)C)[NH+](C)C ZINC001716187868 1180088820 /nfs/dbraw/zinc/08/88/20/1180088820.db2.gz SFSHDJSZHYIMPL-KBPBESRZSA-N 2 0 269.433 1.777 10 0 CDAERP C[C@H](CC[NH2+]CC1CCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001716187686 1180089207 /nfs/dbraw/zinc/08/92/07/1180089207.db2.gz OVFHJCYDZAWHIP-CYBMUJFWSA-N 2 0 279.428 1.367 10 0 CDAERP Cc1oncc1C[NH2+]C/C=C\CNC(=O)C[N@@H+](C)C(C)C ZINC001716378409 1180173526 /nfs/dbraw/zinc/17/35/26/1180173526.db2.gz IOROZNPZQITFKV-WAYWQWQTSA-N 2 0 294.399 1.085 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CC1CCC1 ZINC001716377839 1180173792 /nfs/dbraw/zinc/17/37/92/1180173792.db2.gz AZOBXWQUEXSDTN-AWFCHZOYSA-N 2 0 293.455 1.923 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC1CCC1 ZINC001716377840 1180174154 /nfs/dbraw/zinc/17/41/54/1180174154.db2.gz AZOBXWQUEXSDTN-DWTRPJMMSA-N 2 0 293.455 1.923 10 0 CDAERP C[C@H]([NH2+]CCCF)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001716969600 1180485701 /nfs/dbraw/zinc/48/57/01/1180485701.db2.gz PSYRDWOPGAARKN-QWHCGFSZSA-N 2 0 273.396 1.124 10 0 CDAERP COCC[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001717153361 1180551023 /nfs/dbraw/zinc/55/10/23/1180551023.db2.gz SSAQHEWALMDVTM-AWEZNQCLSA-N 2 0 297.443 1.136 10 0 CDAERP CCCC[NH2+][C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001717281818 1180602937 /nfs/dbraw/zinc/60/29/37/1180602937.db2.gz RKZRACUPLNVFRP-CABCVRRESA-N 2 0 293.455 1.851 10 0 CDAERP COCC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001717336843 1180620426 /nfs/dbraw/zinc/62/04/26/1180620426.db2.gz SPBOVNZOBSOCDC-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]CCOC1CCC1 ZINC001717754543 1180831726 /nfs/dbraw/zinc/83/17/26/1180831726.db2.gz OVPRTCBEWKMLMI-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001717822177 1180879357 /nfs/dbraw/zinc/87/93/57/1180879357.db2.gz ONPWZRYJJWWQPP-KBPBESRZSA-N 2 0 281.444 1.707 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001717880198 1180911342 /nfs/dbraw/zinc/91/13/42/1180911342.db2.gz ZWAZOCKTQHUUHI-STQMWFEESA-N 2 0 255.406 1.223 10 0 CDAERP O=C(CC[NH+]1CCCCC1)N[C@H]1CC[C@H](C[NH2+]CCF)C1 ZINC001717888168 1180913825 /nfs/dbraw/zinc/91/38/25/1180913825.db2.gz ZGFNKANLTMOJSR-GJZGRUSLSA-N 2 0 299.434 1.706 10 0 CDAERP CCC[N@H+]1CC=C(CNC(=O)CC[NH+](C)CC)CC1 ZINC001718031398 1180976249 /nfs/dbraw/zinc/97/62/49/1180976249.db2.gz USYBWBKNUCAPDF-UHFFFAOYSA-N 2 0 267.417 1.487 10 0 CDAERP CC(C)C[NH2+]CCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001723172715 1181522999 /nfs/dbraw/zinc/52/29/99/1181522999.db2.gz HFOPRYGFQFOZFV-CQSZACIVSA-N 2 0 269.433 1.422 10 0 CDAERP CCCC[N@@H+]1CC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001723473148 1181571883 /nfs/dbraw/zinc/57/18/83/1181571883.db2.gz NBOOIEKNQQPQQX-KGLIPLIRSA-N 2 0 267.417 1.319 10 0 CDAERP CCCC[N@@H+]1CC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001723473149 1181572347 /nfs/dbraw/zinc/57/23/47/1181572347.db2.gz NBOOIEKNQQPQQX-UONOGXRCSA-N 2 0 267.417 1.319 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CCC[C@H]1C[NH2+]CC1CC1 ZINC001723967477 1181626182 /nfs/dbraw/zinc/62/61/82/1181626182.db2.gz RVOKSIDMKRHBFX-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001725372218 1181978797 /nfs/dbraw/zinc/97/87/97/1181978797.db2.gz NJGDBCDAMNWWBT-AJNGGQMLSA-N 2 0 281.444 1.754 10 0 CDAERP CCCCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001725565808 1182052327 /nfs/dbraw/zinc/05/23/27/1182052327.db2.gz JVMTXQIJLRHJOP-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCOC)C(C)(C)C1 ZINC001725675729 1182095096 /nfs/dbraw/zinc/09/50/96/1182095096.db2.gz JGWBMPQKYDOCBW-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP CO[C@@H](C)C[N@H+]1CC=C(CNC(=O)C[NH+](C)C(C)C)CC1 ZINC001725827938 1182143565 /nfs/dbraw/zinc/14/35/65/1182143565.db2.gz AKSYHHIZVCEQNT-AWEZNQCLSA-N 2 0 297.443 1.110 10 0 CDAERP C[NH+](C)CCC(=O)NC1CCC([NH2+]CC2CC2)CC1 ZINC001731574195 1182452932 /nfs/dbraw/zinc/45/29/32/1182452932.db2.gz PYVBXNRIHRVPGI-UHFFFAOYSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@@H](F)CC[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001731911831 1182675559 /nfs/dbraw/zinc/67/55/59/1182675559.db2.gz XJELTLWSAYBKTG-JHJVBQTASA-N 2 0 273.396 1.123 10 0 CDAERP CC(C)CC[NH2+]CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001731987099 1182716149 /nfs/dbraw/zinc/71/61/49/1182716149.db2.gz YAMLDAKWXVBWQW-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[N@H+](CCO)CCCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001732015526 1182727196 /nfs/dbraw/zinc/72/71/96/1182727196.db2.gz AELCAONSKREEJN-GASCZTMLSA-N 2 0 299.459 1.068 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCCOC)[C@@H](C)C1 ZINC001732495050 1182988993 /nfs/dbraw/zinc/98/89/93/1182988993.db2.gz LCFRPEVSSQUXNH-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@@H](CC[NH2+]CC1CC(C)C1)NC(=O)C12CC[NH+](CC1)C2 ZINC001732745941 1183105886 /nfs/dbraw/zinc/10/58/86/1183105886.db2.gz KVDOOOFUTNWVCE-SLTAFYQDSA-N 2 0 293.455 1.613 10 0 CDAERP CC[NH2+]CC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001732754934 1183109573 /nfs/dbraw/zinc/10/95/73/1183109573.db2.gz PUAUMJDTTPQKKQ-KGLIPLIRSA-N 2 0 269.433 1.611 10 0 CDAERP CC[C@@H](C)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001732889209 1183172637 /nfs/dbraw/zinc/17/26/37/1183172637.db2.gz MROQDVAYGPBRLS-CNBITHIKSA-N 2 0 281.444 1.779 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001733008893 1183232589 /nfs/dbraw/zinc/23/25/89/1183232589.db2.gz BETPASYSZZWNLO-NEPJUHHUSA-N 2 0 273.396 1.171 10 0 CDAERP CC[C@@H](C)C[NH2+]C1(CNC(=O)CC[NH+](C)C)CC1 ZINC001733260513 1183374791 /nfs/dbraw/zinc/37/47/91/1183374791.db2.gz ZLQITXZXPRVXKM-GFCCVEGCSA-N 2 0 255.406 1.223 10 0 CDAERP CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001733676147 1183495865 /nfs/dbraw/zinc/49/58/65/1183495865.db2.gz GYRPWZIFAQYKIN-ZIAGYGMSSA-N 2 0 267.417 1.176 10 0 CDAERP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N(C)[C@@H]3CCC[NH+](C)C3)C[N@@H+]2C1 ZINC001772421818 1187222073 /nfs/dbraw/zinc/22/20/73/1187222073.db2.gz OZWBLFSPZCGXFF-FXUDXRNXSA-N 2 0 293.455 1.659 10 0 CDAERP CNC(=O)NC[C@H]1CCCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000866685240 1164808347 /nfs/dbraw/zinc/80/83/47/1164808347.db2.gz GDFCBNFGBLZDKS-ZIAGYGMSSA-N 2 0 282.432 1.160 10 0 CDAERP CCCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001507155692 975357254 /nfs/dbraw/zinc/35/72/54/975357254.db2.gz SUNWDXKNVSTTPX-CHWSQXEVSA-N 2 0 255.406 1.175 10 0 CDAERP CC[C@H](C(=O)N(C)CC[NH2+]Cc1cccc(F)c1)[NH+](C)C ZINC001317599278 1167460207 /nfs/dbraw/zinc/46/02/07/1167460207.db2.gz RFQDLRWDAHHCHJ-OAHLLOKOSA-N 2 0 295.402 1.714 10 0 CDAERP CCOCC[NH2+]CCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001567589836 1168064854 /nfs/dbraw/zinc/06/48/54/1168064854.db2.gz PIEZWNZRKOSTCX-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[N@H+](C)CCCNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001566512235 1168315201 /nfs/dbraw/zinc/31/52/01/1168315201.db2.gz KLINRRTXRHSBSE-HNNXBMFYSA-N 2 0 267.417 1.320 10 0 CDAERP CC[N@@H+](C/C=C/Cl)CCCNC(=O)C[NH+]1CCCC1 ZINC001566574950 1168342959 /nfs/dbraw/zinc/34/29/59/1168342959.db2.gz OTRNOIJYOFDRGQ-FNORWQNLSA-N 2 0 287.835 1.663 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1CC1CC(C)(C)C1 ZINC001483678163 912611660 /nfs/dbraw/zinc/61/16/60/912611660.db2.gz VGXCMONLLLPCFY-CQSZACIVSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H]1[C@H](C(=O)NCC[NH+](C)CCCCCF)CC[N@@H+]1C ZINC001266275277 894050266 /nfs/dbraw/zinc/05/02/66/894050266.db2.gz TUMQYBGMXYIFAQ-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP CC[C@H](C(=O)NC[C@H]([NH2+]CC1CC1)C1CC1)[NH+](C)C ZINC001266439738 894906879 /nfs/dbraw/zinc/90/68/79/894906879.db2.gz VOWMTDLAXMCCJQ-UONOGXRCSA-N 2 0 267.417 1.221 10 0 CDAERP CCOCC[NH2+]C[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001266885368 896276262 /nfs/dbraw/zinc/27/62/62/896276262.db2.gz XJOREOVSEOVOCB-HNNXBMFYSA-N 2 0 297.443 1.089 10 0 CDAERP C[NH+](C)CCC(=O)NCC[N@H+](C)CC1CC(F)(F)C1 ZINC001480907758 896476237 /nfs/dbraw/zinc/47/62/37/896476237.db2.gz HTCVCQWVQBAQFN-UHFFFAOYSA-N 2 0 277.359 1.031 10 0 CDAERP CC(C)[NH2+]CCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001567574162 1168865845 /nfs/dbraw/zinc/86/58/45/1168865845.db2.gz ZAXMFLLBQWGVID-ZIAGYGMSSA-N 2 0 267.417 1.460 10 0 CDAERP CCC[N@@H+](CC=C(C)C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001481154362 898987108 /nfs/dbraw/zinc/98/71/08/898987108.db2.gz RTQLWTFNBDNQOU-HNNXBMFYSA-N 2 0 281.444 1.733 10 0 CDAERP CC(C)CC[N@H+](CCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001481196318 899111033 /nfs/dbraw/zinc/11/10/33/899111033.db2.gz AHSSJHWQJIIMGF-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CC/C=C\CCN1CC(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267667447 899213452 /nfs/dbraw/zinc/21/34/52/899213452.db2.gz XQOJKNYZPXXIQE-WBTMPAOCSA-N 2 0 267.417 1.483 10 0 CDAERP O[C@@H](C[NH2+][C@H]1CCCC2(CC2)C1)C[NH+]1CCCC1 ZINC000695696182 899766999 /nfs/dbraw/zinc/76/69/99/899766999.db2.gz CZFNYVBLTZTDEQ-KBPBESRZSA-N 2 0 252.402 1.756 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001267969004 900117887 /nfs/dbraw/zinc/11/78/87/900117887.db2.gz DWUARGYCBDQOLW-UONOGXRCSA-N 2 0 297.418 1.411 10 0 CDAERP CN(CC[NH2+]CC1CCC1)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001481290326 900142679 /nfs/dbraw/zinc/14/26/79/900142679.db2.gz HQWVUYPDRGMUPH-JKSUJKDBSA-N 2 0 293.455 1.851 10 0 CDAERP CC(C)[C@H](C(=O)N(C)CC[NH2+]C/C=C/Cl)[NH+](C)C ZINC001481306061 900310379 /nfs/dbraw/zinc/31/03/79/900310379.db2.gz FJXSYKVUVHWXID-NNNHXZLVSA-N 2 0 275.824 1.373 10 0 CDAERP CC(C)[N@H+](CCCNC(=O)C[NH+]1CC[C@H](C)C1)CC1CC1 ZINC001481355076 900484686 /nfs/dbraw/zinc/48/46/86/900484686.db2.gz UCBMKOGCTONILN-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1[NH2+]CCCF ZINC001268136535 901377776 /nfs/dbraw/zinc/37/77/76/901377776.db2.gz YLAXDWSKJRJXSO-ZIAGYGMSSA-N 2 0 299.434 1.657 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@@H]1CCC[N@@H+](CCCCCF)C1 ZINC001567769317 1168960823 /nfs/dbraw/zinc/96/08/23/1168960823.db2.gz XTTIARSGYPNJQB-OAHLLOKOSA-N 2 0 299.434 1.803 10 0 CDAERP C[NH+](C)CC1(C(=O)NCC2([NH2+]CC3CCCC3)CC2)CC1 ZINC001483762286 914642144 /nfs/dbraw/zinc/64/21/44/914642144.db2.gz IDAIYKKLWOIIAH-UHFFFAOYSA-N 2 0 293.455 1.757 10 0 CDAERP C[C@H](C(=O)NC/C=C\C[NH2+]CCCF)[NH+]1CCCCCC1 ZINC001268597638 902794026 /nfs/dbraw/zinc/79/40/26/902794026.db2.gz TXCOWSADJKFVGG-FOSCPCJNSA-N 2 0 299.434 1.873 10 0 CDAERP C[C@H](C[NH2+]CCCCCF)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001268644869 902885999 /nfs/dbraw/zinc/88/59/99/902885999.db2.gz DBPVNEYRQYDMRD-UKRRQHHQSA-N 2 0 299.434 1.562 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C)C[NH2+]CCc1cccs1)[NH+](C)C ZINC001268661960 902917380 /nfs/dbraw/zinc/91/73/80/902917380.db2.gz QTSQVTSQUDJJNS-OCCSQVGLSA-N 2 0 297.468 1.725 10 0 CDAERP C[C@@H](C[NH2+]CCC1CCCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001268711832 902996357 /nfs/dbraw/zinc/99/63/57/902996357.db2.gz WRZMBQNKBOGZIS-AWEZNQCLSA-N 2 0 293.455 1.757 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)CC[NH+](C)C)[C@H](C)C1 ZINC001362009323 903134478 /nfs/dbraw/zinc/13/44/78/903134478.db2.gz APPVLONAXAMBHJ-ZNMIVQPWSA-N 2 0 283.460 1.763 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001269249958 903607442 /nfs/dbraw/zinc/60/74/42/903607442.db2.gz XOONPGSCQOXMQS-UONOGXRCSA-N 2 0 267.417 1.460 10 0 CDAERP CN(C(=O)CCCC[NH+](C)C)[C@H]1CC[N@H+](CC2CC2)C1 ZINC001269293200 903659550 /nfs/dbraw/zinc/65/95/50/903659550.db2.gz TXUMHPFRPQWAOR-HNNXBMFYSA-N 2 0 281.444 1.661 10 0 CDAERP CC[NH2+]C[C@](C)(NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001269629342 903994867 /nfs/dbraw/zinc/99/48/67/903994867.db2.gz CWJFPVRQURRRKB-ZFWWWQNUSA-N 2 0 267.417 1.365 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CCF ZINC001270605316 904782707 /nfs/dbraw/zinc/78/27/07/904782707.db2.gz YPPDTSZVJSXBLO-CHWSQXEVSA-N 2 0 273.396 1.172 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCCF)[C@H](C)C1 ZINC001482433946 905396244 /nfs/dbraw/zinc/39/62/44/905396244.db2.gz MJHNTRCQXDPUQL-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP CCN(CC[NH2+]Cc1cccnc1)C(=O)C[N@H+](C)C(C)C ZINC001482970247 908555103 /nfs/dbraw/zinc/55/51/03/908555103.db2.gz PYYKOANJWMZNIM-UHFFFAOYSA-N 2 0 292.427 1.360 10 0 CDAERP C[NH+]1CCC(C(=O)NC/C=C/C[NH2+]CC2CCC2)CC1 ZINC001483053322 909073001 /nfs/dbraw/zinc/07/30/01/909073001.db2.gz DLMRCODXYYRDOS-NSCUHMNNSA-N 2 0 279.428 1.390 10 0 CDAERP CC(C)[C@H](C(=O)NC1CC(C[NH2+]CC2CCC2)C1)[NH+](C)C ZINC001409290586 909681671 /nfs/dbraw/zinc/68/16/71/909681671.db2.gz GCOPTIAPAWOKLJ-UYSNPLJNSA-N 2 0 295.471 1.857 10 0 CDAERP Cc1cc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)on1 ZINC001483141044 909792926 /nfs/dbraw/zinc/79/29/26/909792926.db2.gz PYGVMTGXFYOUTG-TZMCWYRMSA-N 2 0 294.399 1.062 10 0 CDAERP C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)[C@H]1CCC[NH2+]1 ZINC000715573361 910021933 /nfs/dbraw/zinc/02/19/33/910021933.db2.gz QFJAMSCRIITDTR-FEWQNLEASA-N 3 0 253.434 1.979 10 0 CDAERP C[C@@H]([NH2+]CCC1CC1)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001409395337 910373193 /nfs/dbraw/zinc/37/31/93/910373193.db2.gz ILHHEWOISQIJKO-OLZOCXBDSA-N 2 0 281.444 1.611 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CCC(F)(F)F ZINC001409428475 910394669 /nfs/dbraw/zinc/39/46/69/910394669.db2.gz HUAFBKZEGBYHOR-QWRGUYRKSA-N 2 0 297.365 1.763 10 0 CDAERP CC(C)C[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001409592736 910533191 /nfs/dbraw/zinc/53/31/91/910533191.db2.gz MDQBWUBSKZXXAP-AWEZNQCLSA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@@H](F)C[N@H+](C)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001409685093 910626807 /nfs/dbraw/zinc/62/68/07/910626807.db2.gz LBGYGFMDTAPSSD-CHWSQXEVSA-N 2 0 275.412 1.511 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CCC(C)([NH2+]CCCO)CC1 ZINC001484926713 916271745 /nfs/dbraw/zinc/27/17/45/916271745.db2.gz INGFDOCMIMMMGE-UHFFFAOYSA-N 2 0 299.459 1.071 10 0 CDAERP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)NCCC[NH+]3CCCC3)[C@H]2C1 ZINC001123475348 936168254 /nfs/dbraw/zinc/16/82/54/936168254.db2.gz GNSXDWIVFGMIGX-KKUMJFAQSA-N 2 0 294.443 1.112 10 0 CDAERP C[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)C[NH2+]CCF ZINC001568198234 1169173982 /nfs/dbraw/zinc/17/39/82/1169173982.db2.gz KRQQLKGXOOKMCB-CYBMUJFWSA-N 2 0 295.402 1.673 10 0 CDAERP C[C@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)[NH2+]CCCCCF ZINC001485218075 916660416 /nfs/dbraw/zinc/66/04/16/916660416.db2.gz XXCCZFNFLKPFIL-KBPBESRZSA-N 2 0 299.434 1.705 10 0 CDAERP CCCC[N@H+](C)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001485373890 916910586 /nfs/dbraw/zinc/91/05/86/916910586.db2.gz YOLVZRBEDPLEQY-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)[C@@H](C(=O)NC[C@@H](C)[N@H+](C)CC1CC1)[NH+]1CCCC1 ZINC001485388668 916943399 /nfs/dbraw/zinc/94/33/99/916943399.db2.gz OOEPAQRIMFXMGN-ZBFHGGJFSA-N 2 0 295.471 1.953 10 0 CDAERP C[NH+](C)CCC(=O)NC1(C[NH2+]CC2CC2)CCCCC1 ZINC001485454745 916979972 /nfs/dbraw/zinc/97/99/72/916979972.db2.gz KBQGTAWEHPRDAA-UHFFFAOYSA-N 2 0 281.444 1.757 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[NH+](CCCOC)CC1(C)C ZINC001485579569 917106337 /nfs/dbraw/zinc/10/63/37/917106337.db2.gz PXGUHEXWULSXFF-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP C[NH+](C)C1(C)CCC(NC(=O)CC2([NH3+])CCC2)CC1 ZINC000715572967 919893009 /nfs/dbraw/zinc/89/30/09/919893009.db2.gz UTMHQYDZBDEKAQ-UHFFFAOYSA-N 2 0 267.417 1.637 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001485920485 920576961 /nfs/dbraw/zinc/57/69/61/920576961.db2.gz UGUDWCQVQUMIGY-CHWSQXEVSA-N 2 0 257.422 1.421 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC(C)C ZINC001485960725 920628716 /nfs/dbraw/zinc/62/87/16/920628716.db2.gz KYEGBSWFQTUKJV-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)=CC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001273547461 920637746 /nfs/dbraw/zinc/63/77/46/920637746.db2.gz AWRJOMCHKVMDAB-OAHLLOKOSA-N 2 0 281.444 1.827 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+]CC1CC1)C(C)(C)C ZINC001486423689 920995926 /nfs/dbraw/zinc/99/59/26/920995926.db2.gz IUNJRMUBRXMXMX-CQSZACIVSA-N 2 0 283.460 1.857 10 0 CDAERP CN(C(=O)CC[C@H]1CCC[N@@H+]1C)C1CC([NH2+]CC2CC2)C1 ZINC001486466698 921041259 /nfs/dbraw/zinc/04/12/59/921041259.db2.gz MDKUPDXYABPHFD-HWOWSKLDSA-N 2 0 293.455 1.850 10 0 CDAERP CCCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001273176661 923799058 /nfs/dbraw/zinc/79/90/58/923799058.db2.gz XDRWDCIMFQLRFL-CHWSQXEVSA-N 2 0 255.406 1.223 10 0 CDAERP CC(C)[N@H+](C)CCCNC(=O)c1ccc(C[NH+](C)C)nc1 ZINC001141542420 936896122 /nfs/dbraw/zinc/89/61/22/936896122.db2.gz IXYGDCGCCCXOAF-UHFFFAOYSA-N 2 0 292.427 1.603 10 0 CDAERP CCOCC[NH2+]C1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001491370696 936899308 /nfs/dbraw/zinc/89/93/08/936899308.db2.gz WYDDSGRCUYMSGL-UHFFFAOYSA-N 2 0 297.443 1.136 10 0 CDAERP C[C@@H](CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC1CCC1 ZINC001410427697 925649583 /nfs/dbraw/zinc/64/95/83/925649583.db2.gz AVPCVRSFDOXKQR-KGLIPLIRSA-N 2 0 281.444 1.565 10 0 CDAERP CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001410509936 925848864 /nfs/dbraw/zinc/84/88/64/925848864.db2.gz MMSIOKDLIRKLIP-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP Cn1cc([C@H](O)C[NH2+][C@H]2CCCN3CCCC[C@@H]23)cn1 ZINC000825651790 925878002 /nfs/dbraw/zinc/87/80/02/925878002.db2.gz DYSPFSOOADXMJT-SOUVJXGZSA-N 2 0 278.400 1.060 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001489202437 926826722 /nfs/dbraw/zinc/82/67/22/926826722.db2.gz JESTZAILHCQXBL-CVEARBPZSA-N 2 0 295.471 1.765 10 0 CDAERP CC[NH2+][C@H]1CCCCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001489234117 926850254 /nfs/dbraw/zinc/85/02/54/926850254.db2.gz QUTRAIJPSXTSJI-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP CCN1CC[C@@H]1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001144154615 931673404 /nfs/dbraw/zinc/67/34/04/931673404.db2.gz FLZGOFGUYUIGKS-BFHYXJOUSA-N 2 0 265.401 1.214 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]CC[C@H](C)F)[NH+](C)C ZINC001275190423 931693445 /nfs/dbraw/zinc/69/34/45/931693445.db2.gz TUQJVRXWTHGLFY-AVGNSLFASA-N 2 0 275.412 1.415 10 0 CDAERP CCCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001275864883 932101743 /nfs/dbraw/zinc/10/17/43/932101743.db2.gz CJTDEEFDTTWRLU-KGLIPLIRSA-N 2 0 269.433 1.707 10 0 CDAERP CC[NH2+]Cc1ccccc1NC(=O)NCC[NH+]1CC=CC1 ZINC001117959781 937573903 /nfs/dbraw/zinc/57/39/03/937573903.db2.gz OUKNSYJHOQXBDA-UHFFFAOYSA-N 2 0 288.395 1.789 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+]2CC[C@H](F)C2)C1 ZINC001412226642 932330160 /nfs/dbraw/zinc/33/01/60/932330160.db2.gz MVMWTYHUTHHHFU-UONOGXRCSA-N 2 0 285.407 1.361 10 0 CDAERP CN(CCC[NH2+]CCC1CC1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001276076160 932494193 /nfs/dbraw/zinc/49/41/93/932494193.db2.gz LDZQGMBBVHWROX-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001412624612 932569196 /nfs/dbraw/zinc/56/91/96/932569196.db2.gz XDNRBEOQRVEURG-WCVJEAGWSA-N 2 0 293.455 1.802 10 0 CDAERP Cc1cc(CC[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])nn1C ZINC000925833451 932943419 /nfs/dbraw/zinc/94/34/19/932943419.db2.gz JHKAJVAMZHYFSN-RHSMWYFYSA-N 2 0 286.423 1.819 10 0 CDAERP Cc1ccccc1[C@@H](O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000686008643 933761335 /nfs/dbraw/zinc/76/13/35/933761335.db2.gz AFFOIIWPJPHOBB-HOCLYGCPSA-N 2 0 262.397 1.912 10 0 CDAERP C[N@H+](CC1CC[NH+](C)CC1)CC(C)(C)S(C)(=O)=O ZINC000093089092 934904899 /nfs/dbraw/zinc/90/48/99/934904899.db2.gz JUBHZHUVVSYFID-UHFFFAOYSA-N 2 0 276.446 1.083 10 0 CDAERP C[C@H](CN1CCOCC1)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC001412990800 935148136 /nfs/dbraw/zinc/14/81/36/935148136.db2.gz GAYPUTVNWCUEHI-SJORKVTESA-N 2 0 295.471 1.372 10 0 CDAERP C[N@@H+]1CCC[C@]2(CCN(C(=O)CC[NH+]3CC[C@H](F)C3)C2)C1 ZINC001413001486 935157235 /nfs/dbraw/zinc/15/72/35/935157235.db2.gz KQRYMEVFQOTAIU-HOCLYGCPSA-N 2 0 297.418 1.365 10 0 CDAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]CCF ZINC001568631149 1169406545 /nfs/dbraw/zinc/40/65/45/1169406545.db2.gz RTLGPQIAYHJWTQ-CHWSQXEVSA-N 2 0 273.396 1.313 10 0 CDAERP CCN(C(=O)c1ccc(CN(C)C)o1)[C@@H]1CC[N@H+](C)C1 ZINC001413253932 935968201 /nfs/dbraw/zinc/96/82/01/935968201.db2.gz GPRLAFVONDFUCO-GFCCVEGCSA-N 2 0 279.384 1.507 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)C1 ZINC001413519776 936122363 /nfs/dbraw/zinc/12/23/63/936122363.db2.gz JHQTVGQPARESRZ-XUWVNRHRSA-N 2 0 293.455 1.802 10 0 CDAERP CCc1nn(C)cc1C[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000400346924 940847729 /nfs/dbraw/zinc/84/77/29/940847729.db2.gz KTYJOHLNCSVBTN-LLVKDONJSA-N 2 0 250.390 1.460 10 0 CDAERP [NH3+][C@H]1C[C@H]([NH2+]CC2(CO)CCCCC2)C12CCC2 ZINC000405207664 940974879 /nfs/dbraw/zinc/97/48/79/940974879.db2.gz BBMJFMKTSRNOHR-STQMWFEESA-N 2 0 252.402 1.789 10 0 CDAERP CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001277001072 941800988 /nfs/dbraw/zinc/80/09/88/941800988.db2.gz IESPEBLHSOUQSO-FPCVCCKLSA-N 2 0 293.455 1.898 10 0 CDAERP CC(C)CC[N@H+]1CC=C(CNC(=O)CC[NH+](C)C)CC1 ZINC001279628946 942397109 /nfs/dbraw/zinc/39/71/09/942397109.db2.gz QNDNMSNBKQGRSL-UHFFFAOYSA-N 2 0 281.444 1.733 10 0 CDAERP CC[N@@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001282674845 942738493 /nfs/dbraw/zinc/73/84/93/942738493.db2.gz HZFYCDXHVLUHDT-CYBMUJFWSA-N 2 0 255.406 1.319 10 0 CDAERP CCCCC[NH+]1CC([C@H](C)NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001282736847 942745482 /nfs/dbraw/zinc/74/54/82/942745482.db2.gz ILSYRVFMCUFKSJ-ZFWWWQNUSA-N 2 0 283.460 1.953 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCC3CC3)C2)C1 ZINC001283102301 942823027 /nfs/dbraw/zinc/82/30/27/942823027.db2.gz JQOMMZIXFSOYCA-RBSFLKMASA-N 2 0 279.428 1.223 10 0 CDAERP CC(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001283712567 942976353 /nfs/dbraw/zinc/97/63/53/942976353.db2.gz ADGURXKBBAMTNB-ZIAGYGMSSA-N 2 0 269.433 1.421 10 0 CDAERP CC[C@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)CC=C(C)C)[NH+](C)C ZINC001284501210 943188175 /nfs/dbraw/zinc/18/81/75/943188175.db2.gz AYCOCXMJCGKQQE-LSDHHAIUSA-N 2 0 299.459 1.044 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001263828004 943992205 /nfs/dbraw/zinc/99/22/05/943992205.db2.gz WNWFOEJMBMNFEB-HZSPNIEDSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[NH2+]CC1CC1 ZINC001264517924 944144928 /nfs/dbraw/zinc/14/49/28/944144928.db2.gz MWZKUMZTWIMHEH-GOEBONIOSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)CC1CCN(C(=O)C2([NH+](C)C)CCCC2)CC1 ZINC001362246550 971066736 /nfs/dbraw/zinc/06/67/36/971066736.db2.gz ZQWQXUAPTZIDND-UHFFFAOYSA-N 2 0 281.444 1.661 10 0 CDAERP CCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001265539075 944422011 /nfs/dbraw/zinc/42/20/11/944422011.db2.gz WNWCCKMJEVGIGG-QLFBSQMISA-N 2 0 297.443 1.133 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001265567179 944431568 /nfs/dbraw/zinc/43/15/68/944431568.db2.gz VNILIUCZIUYMIL-SOUVJXGZSA-N 2 0 281.444 1.755 10 0 CDAERP C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)Cc1ccsc1 ZINC001265814650 944519925 /nfs/dbraw/zinc/51/99/25/944519925.db2.gz CAYIXZUEWPKEGJ-AWEZNQCLSA-N 2 0 295.452 1.780 10 0 CDAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC1CCC1 ZINC001265824570 944526514 /nfs/dbraw/zinc/52/65/14/944526514.db2.gz YXAYDHFEKUDSPY-STQMWFEESA-N 2 0 267.417 1.223 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[NH+](C)CC2CC2)C1 ZINC001265907770 944567631 /nfs/dbraw/zinc/56/76/31/944567631.db2.gz CAQUVPNPIPCBPB-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCCNC(=O)C[NH+]1CCCC1 ZINC001265974345 944608432 /nfs/dbraw/zinc/60/84/32/944608432.db2.gz JOAQHOFSIZCMTC-CYBMUJFWSA-N 2 0 273.396 1.268 10 0 CDAERP CCCCC[NH2+]C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001266008681 944625805 /nfs/dbraw/zinc/62/58/05/944625805.db2.gz HGNPFPLLGVBETN-OAHLLOKOSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001266147361 944716498 /nfs/dbraw/zinc/71/64/98/944716498.db2.gz ZMJIYLFKWICRLH-MGPQQGTHSA-N 2 0 269.433 1.467 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)CC[N@@H+]2CC[C@@H](F)C2)C1 ZINC001362341591 971171228 /nfs/dbraw/zinc/17/12/28/971171228.db2.gz XMNKVPBGTVODOL-HZSPNIEDSA-N 2 0 285.407 1.409 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NC[C@]2([NH+](C)C)CCSC2)CC[N@@H+]1C ZINC001362388275 971219128 /nfs/dbraw/zinc/21/91/28/971219128.db2.gz DAJVOKKWLVDCSM-KCQAQPDRSA-N 2 0 299.484 1.270 10 0 CDAERP COC(=O)[C@@H]1[C@H](C[NH2+]CCC2CC[NH+](C)CC2)C1(F)F ZINC001262110016 946440202 /nfs/dbraw/zinc/44/02/02/946440202.db2.gz NVQJQVMNRMTDTC-RYUDHWBXSA-N 2 0 290.354 1.362 10 0 CDAERP CC[N@@H+]1C[C@@H](C)N(Cc2[nH]c(C)nc2C)C[C@@H]1C ZINC001262236490 946539237 /nfs/dbraw/zinc/53/92/37/946539237.db2.gz GJTUFLSFYRHJHW-WDEREUQCSA-N 2 0 250.390 1.941 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([NH+](CC)CCO)C1 ZINC001479661965 971361924 /nfs/dbraw/zinc/36/19/24/971361924.db2.gz VKRBCMLCRUJWRX-HNNXBMFYSA-N 2 0 299.459 1.024 10 0 CDAERP CCC[N@H+](C)CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001479771484 971408574 /nfs/dbraw/zinc/40/85/74/971408574.db2.gz OCSMCNGLSXFEPP-CQSZACIVSA-N 2 0 267.417 1.176 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC001362612371 971456037 /nfs/dbraw/zinc/45/60/37/971456037.db2.gz NTMHIGFNHLXVHH-GDBMZVCRSA-N 2 0 295.471 1.765 10 0 CDAERP CCCC[NH+]1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001479892024 971471822 /nfs/dbraw/zinc/47/18/22/971471822.db2.gz KVNSVUSMWOLXHU-UHFFFAOYSA-N 2 0 269.433 1.661 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H](F)CC)C1 ZINC001480206696 971628832 /nfs/dbraw/zinc/62/88/32/971628832.db2.gz IMTMNDALGUREIF-KBXIAJHMSA-N 2 0 299.434 1.846 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H](F)CC)C1 ZINC001480206695 971629022 /nfs/dbraw/zinc/62/90/22/971629022.db2.gz IMTMNDALGUREIF-BYNSBNAKSA-N 2 0 299.434 1.846 10 0 CDAERP C[NH+](C)CC[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001362876789 971686977 /nfs/dbraw/zinc/68/69/77/971686977.db2.gz DGRJRLDAPIYHPH-CQSZACIVSA-N 2 0 283.460 1.765 10 0 CDAERP CC(C)[NH2+][C@H](C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001480792997 971880298 /nfs/dbraw/zinc/88/02/98/971880298.db2.gz VPEALMSZUUPPKH-CHWSQXEVSA-N 2 0 255.406 1.221 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001316639057 953465771 /nfs/dbraw/zinc/46/57/71/953465771.db2.gz JJLHWUNDPXJICB-ZOBUZTSGSA-N 2 0 293.455 1.757 10 0 CDAERP Cc1c(C(=O)N[C@@H]2C[N@@H+](C)CC2(C)C)ccc2c[nH+]cn21 ZINC001363594555 953510345 /nfs/dbraw/zinc/51/03/45/953510345.db2.gz NYVRCQVLPPUGIW-CQSZACIVSA-N 2 0 286.379 1.713 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@](C)(C[NH2+]CCCF)C1 ZINC001324784358 953572771 /nfs/dbraw/zinc/57/27/71/953572771.db2.gz SGKLLSYELPXQKT-CQSZACIVSA-N 2 0 273.396 1.126 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](CC[NH2+]C/C=C/Cl)C2)C1 ZINC001326430154 954377167 /nfs/dbraw/zinc/37/71/67/954377167.db2.gz IDPQOMNHAWOLRT-OOIFCOQQSA-N 2 0 299.846 1.519 10 0 CDAERP CCN1CC[C@H]1C(=O)NCCC1CC[NH+](C(C)C)CC1 ZINC001364281943 954418884 /nfs/dbraw/zinc/41/88/84/954418884.db2.gz DKVWDJYNCDEEEK-HNNXBMFYSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H](NC(=O)[C@@H]1CCCC[C@H]1[NH3+])[C@@H]1CCC[NH2+]C1 ZINC001326556276 954431023 /nfs/dbraw/zinc/43/10/23/954431023.db2.gz HVFWJZJUEYBQCC-UMSGYPCISA-N 2 0 253.390 1.008 10 0 CDAERP CN(C)C(=O)CCC[NH+]1CCC(c2cncn2C)CC1 ZINC001364525123 954742828 /nfs/dbraw/zinc/74/28/28/954742828.db2.gz AMJCGKMGIGUZFZ-UHFFFAOYSA-N 2 0 278.400 1.468 10 0 CDAERP C[C@H](C(N)=O)N1CCC[C@@H](c2cncn2C(C)(C)C)C1 ZINC001364527718 954743528 /nfs/dbraw/zinc/74/35/28/954743528.db2.gz BMSVVDMWSZRTDA-VXGBXAGGSA-N 2 0 278.400 1.691 10 0 CDAERP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](C)CN2CCOCC2)C1 ZINC001364655754 954968049 /nfs/dbraw/zinc/96/80/49/954968049.db2.gz QNNKUTOACSSBBG-HZPDHXFCSA-N 2 0 283.460 1.228 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCO[C@H](C)C2)CC1 ZINC001327755557 955030869 /nfs/dbraw/zinc/03/08/69/955030869.db2.gz MQTQDOSVRAZMPS-UKRRQHHQSA-N 2 0 297.443 1.134 10 0 CDAERP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CC(C)(C)C1 ZINC001491637060 955335689 /nfs/dbraw/zinc/33/56/89/955335689.db2.gz HZRVBSIGUABKTN-KGLIPLIRSA-N 2 0 295.471 1.859 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001491603434 955348796 /nfs/dbraw/zinc/34/87/96/955348796.db2.gz TWEOYNBAAMWDNE-TZMCWYRMSA-N 2 0 287.423 1.561 10 0 CDAERP CCCC[NH2+]CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001493611982 972089199 /nfs/dbraw/zinc/08/91/99/972089199.db2.gz BULLYPIQUDBPHA-UHFFFAOYSA-N 2 0 267.417 1.463 10 0 CDAERP CC(C)C[C@H](C)C[NH2+][C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001491675399 955384916 /nfs/dbraw/zinc/38/49/16/955384916.db2.gz TVSPMYMIPCSDBG-GJZGRUSLSA-N 2 0 283.460 1.859 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@](C)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001421587615 955421338 /nfs/dbraw/zinc/42/13/38/955421338.db2.gz OWFAXVVHAFOTFJ-HOCLYGCPSA-N 2 0 299.434 1.705 10 0 CDAERP CCCC[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001493667508 972097602 /nfs/dbraw/zinc/09/76/02/972097602.db2.gz REFDBFHRTBDHNL-HNNXBMFYSA-N 2 0 283.460 1.957 10 0 CDAERP COCC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001491834719 955459044 /nfs/dbraw/zinc/45/90/44/955459044.db2.gz MJKGFDOPIYRTMN-CQSZACIVSA-N 2 0 299.459 1.049 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001491847999 955467221 /nfs/dbraw/zinc/46/72/21/955467221.db2.gz OUFVRTJHMYAJKH-KGLIPLIRSA-N 2 0 297.418 1.268 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC2(C[NH+](CCCF)C2)CC1 ZINC001421849878 955594473 /nfs/dbraw/zinc/59/44/73/955594473.db2.gz DFDMOGDCKQWKLM-UHFFFAOYSA-N 2 0 285.407 1.222 10 0 CDAERP CC/C=C\CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001492068171 955604391 /nfs/dbraw/zinc/60/43/91/955604391.db2.gz VXVGKOXLARCJMM-RWCKICOTSA-N 2 0 281.444 1.921 10 0 CDAERP C[C@H](C[NH2+]Cc1cncs1)N(C)C(=O)CC[NH+](C)C ZINC001421941021 955666056 /nfs/dbraw/zinc/66/60/56/955666056.db2.gz UVCUATBAADKBEI-LLVKDONJSA-N 2 0 284.429 1.031 10 0 CDAERP CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCN(c2cc[nH+]cc2)C1 ZINC001365215373 955734651 /nfs/dbraw/zinc/73/46/51/955734651.db2.gz RAIHPKQAVONVGM-HIFRSBDPSA-N 2 0 288.395 1.118 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+](C)CC(C)C)CC[N@@H+]1C ZINC001422168864 955806763 /nfs/dbraw/zinc/80/67/63/955806763.db2.gz YTWWQHCAKXFEPW-LSDHHAIUSA-N 2 0 283.460 1.763 10 0 CDAERP CC(C)[N@H+](C)CCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001422173359 955809870 /nfs/dbraw/zinc/80/98/70/955809870.db2.gz FHAHQTMBLNEVSA-UHFFFAOYSA-N 2 0 281.444 1.661 10 0 CDAERP CC(C)[N@H+](CCF)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001493877023 972131928 /nfs/dbraw/zinc/13/19/28/972131928.db2.gz JTJFMCSRWXAJOR-ZDUSSCGKSA-N 2 0 273.396 1.124 10 0 CDAERP C[C@@H]1CCCC[C@H]1C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC001365312733 955876136 /nfs/dbraw/zinc/87/61/36/955876136.db2.gz DOCQRCAZURJJOS-CABCVRRESA-N 2 0 281.444 1.519 10 0 CDAERP [NH3+]C[C@H]1Cc2ccccc2N(C[C@H]2CCC[NH2+]C2)C1 ZINC001329754723 956098448 /nfs/dbraw/zinc/09/84/48/956098448.db2.gz NQZDBPURKBHJBM-UONOGXRCSA-N 2 0 259.397 1.624 10 0 CDAERP CC(C)[C@@H](CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC1CC1 ZINC001422665417 956242667 /nfs/dbraw/zinc/24/26/67/956242667.db2.gz IBJKUBKTFRIITR-CVEARBPZSA-N 2 0 295.471 1.953 10 0 CDAERP CN(C[C@@H]1CC[N@@H+]1CCC1CC1)C(=O)C[NH+]1CCCC1 ZINC001365799244 956368427 /nfs/dbraw/zinc/36/84/27/956368427.db2.gz AXQYQQCLWNTTRD-HNNXBMFYSA-N 2 0 279.428 1.415 10 0 CDAERP CC(C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001422845120 956401876 /nfs/dbraw/zinc/40/18/76/956401876.db2.gz QUODHTDSUOKDIF-PHZGNYQRSA-N 2 0 293.455 1.421 10 0 CDAERP CC(C)(C(=O)NC[C@H]1CC[C@@H]([NH2+]CCF)C1)[NH+]1CCCC1 ZINC001365850095 956405853 /nfs/dbraw/zinc/40/58/53/956405853.db2.gz HATQABDARPDHAX-UONOGXRCSA-N 2 0 299.434 1.705 10 0 CDAERP CC[NH2+][C@H](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C(C)C ZINC001422942009 956463692 /nfs/dbraw/zinc/46/36/92/956463692.db2.gz FQUXPNFKAJWNNF-KGLIPLIRSA-N 2 0 271.449 1.713 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@H]([NH2+]CCC(F)(F)F)C1 ZINC001366097211 956559632 /nfs/dbraw/zinc/55/96/32/956559632.db2.gz FDBZRBPEPIBRGP-JTQLQIEISA-N 2 0 281.322 1.081 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001366117527 956580313 /nfs/dbraw/zinc/58/03/13/956580313.db2.gz AEBIAPPRQHJRCH-RMEBNNNOSA-N 2 0 299.434 1.702 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001366144697 956600962 /nfs/dbraw/zinc/60/09/62/956600962.db2.gz AGAHRSOBBSTPDO-OWCLPIDISA-N 2 0 293.455 1.611 10 0 CDAERP O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+]CCC2CC2)C1 ZINC001366172794 956618569 /nfs/dbraw/zinc/61/85/69/956618569.db2.gz ZUPRIJYKRKCQKS-IYBDPMFKSA-N 2 0 293.455 1.899 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001366380836 956782716 /nfs/dbraw/zinc/78/27/16/956782716.db2.gz BJXYKRSPIKOHMC-OLZOCXBDSA-N 2 0 285.407 1.409 10 0 CDAERP CC1CC(C[NH2+]C[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001366404068 956797391 /nfs/dbraw/zinc/79/73/91/956797391.db2.gz RIPNVYRBNIYBTJ-SLTAFYQDSA-N 2 0 281.444 1.422 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@](C)(NC(=O)CC[NH+](C)CC)C1 ZINC001423586738 956880228 /nfs/dbraw/zinc/88/02/28/956880228.db2.gz NMURNCMOIYJFBR-ZFWWWQNUSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCCCC[C@H]([NH2+]CCCO)C1 ZINC001316768882 956911632 /nfs/dbraw/zinc/91/16/32/956911632.db2.gz BUWDACTWMAQKID-HNNXBMFYSA-N 2 0 299.459 1.070 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCC(C)C)C1)[NH+](C)C ZINC001317124460 956968482 /nfs/dbraw/zinc/96/84/82/956968482.db2.gz MZPZAYUDXRKAAK-HZSPNIEDSA-N 2 0 269.433 1.610 10 0 CDAERP COCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@H+](C)C(C)C ZINC001316709752 956993417 /nfs/dbraw/zinc/99/34/17/956993417.db2.gz WHAFWAPUCVXETG-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP CCN1CCO[C@H](C(=O)NCC[N@H+](C)CCCC(C)C)C1 ZINC001366593698 957005443 /nfs/dbraw/zinc/00/54/43/957005443.db2.gz ZBYBRQUSNXKHMC-HNNXBMFYSA-N 2 0 299.459 1.191 10 0 CDAERP CCCC[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001424027277 957085360 /nfs/dbraw/zinc/08/53/60/957085360.db2.gz TYFSRZNFLWOZQY-ZBFHGGJFSA-N 2 0 299.459 1.070 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](CCF)C2CC2)CC[N@@H+]1C ZINC001316917054 957122511 /nfs/dbraw/zinc/12/25/11/957122511.db2.gz XQYHGBZHNGTREZ-LSDHHAIUSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001366703260 957127685 /nfs/dbraw/zinc/12/76/85/957127685.db2.gz PJUAYWHQMWCWHI-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP CCC[N@H+](CCCNC(=O)[C@H]1CN(CC)CCO1)C1CC1 ZINC001316927921 957128479 /nfs/dbraw/zinc/12/84/79/957128479.db2.gz RYMLJQGXATWNKR-OAHLLOKOSA-N 2 0 297.443 1.088 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC001367015805 957338466 /nfs/dbraw/zinc/33/84/66/957338466.db2.gz PZLIJEQLKWGXFG-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)OCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001317242753 957374762 /nfs/dbraw/zinc/37/47/62/957374762.db2.gz RWSFVWLQYVRMJN-GJZGRUSLSA-N 2 0 299.459 1.379 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cnoc1C ZINC001367091742 957401383 /nfs/dbraw/zinc/40/13/83/957401383.db2.gz NGBHXBOERPMILU-KGLIPLIRSA-N 2 0 294.399 1.062 10 0 CDAERP C[NH+](C)CC1(C(=O)NCCC[C@@H]2CCC[N@@H+]2CCF)CC1 ZINC001317430294 957466506 /nfs/dbraw/zinc/46/65/06/957466506.db2.gz RRDOOHDWZUSYMQ-CQSZACIVSA-N 2 0 299.434 1.659 10 0 CDAERP CCCC[C@@H](C[NH2+]C(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001425182158 957483264 /nfs/dbraw/zinc/48/32/64/957483264.db2.gz AVXKKLQGHYAGEB-AWEZNQCLSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H](NC(=O)CC[NH+](C)C)C1C[NH+](CC2CC(C)C2)C1 ZINC001425248621 957499342 /nfs/dbraw/zinc/49/93/42/957499342.db2.gz FTKYSXAIHIPFGJ-MOKVOYLWSA-N 2 0 281.444 1.421 10 0 CDAERP CC(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001425374740 957522483 /nfs/dbraw/zinc/52/24/83/957522483.db2.gz UTCIMQBZKLPHPD-XHSDSOJGSA-N 2 0 295.471 1.811 10 0 CDAERP CCC[N@H+](C)CCC(=O)NC[C@@H]1[C@H]2C[NH+](C(C)C)C[C@H]21 ZINC001425373551 957522505 /nfs/dbraw/zinc/52/25/05/957522505.db2.gz IMOSWPLZDVGORR-QKDCVEJESA-N 2 0 281.444 1.421 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001425383208 957523273 /nfs/dbraw/zinc/52/32/73/957523273.db2.gz OCFILQOCIMUSJT-ARFHVFGLSA-N 2 0 295.471 1.955 10 0 CDAERP CN(CC[NH2+]Cc1cccnc1)C(=O)C1([NH+](C)C)CCC1 ZINC001317595636 957588432 /nfs/dbraw/zinc/58/84/32/957588432.db2.gz GQZDBRYYENXOID-UHFFFAOYSA-N 2 0 290.411 1.114 10 0 CDAERP CC(C)C[C@@H](C)C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001317661035 957626850 /nfs/dbraw/zinc/62/68/50/957626850.db2.gz HGMFTGAOYGCDON-HUUCEWRRSA-N 2 0 283.460 1.668 10 0 CDAERP CCCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001317862262 957697596 /nfs/dbraw/zinc/69/75/96/957697596.db2.gz UXUHTWWMMHPYOY-CVEARBPZSA-N 2 0 295.471 1.909 10 0 CDAERP CC[C@@H](C)C[NH+]1CC(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001318130010 957926572 /nfs/dbraw/zinc/92/65/72/957926572.db2.gz RRZARYJOXPQRQX-TZMCWYRMSA-N 2 0 269.433 1.421 10 0 CDAERP CC(C)[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CC1CC1 ZINC001367483473 958049474 /nfs/dbraw/zinc/04/94/74/958049474.db2.gz TZQQCEODIXSIGM-BPUTZDHNSA-N 2 0 295.471 1.857 10 0 CDAERP C[C@@H]1[C@H](C(=O)N(C)C2CC([NH2+]CCCF)C2)CC[N@@H+]1C ZINC001333070583 958053683 /nfs/dbraw/zinc/05/36/83/958053683.db2.gz KTLOQKCTNONLID-BLYZHGLHSA-N 2 0 285.407 1.265 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH+](C)CCC2CC2)CC[N@@H+]1C ZINC001367809230 958389663 /nfs/dbraw/zinc/38/96/63/958389663.db2.gz SBYQTXWRSAXCSH-CWRNSKLLSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)OCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1C ZINC001367813015 958393511 /nfs/dbraw/zinc/39/35/11/958393511.db2.gz CYILLLNZXOWENF-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001319195573 958424945 /nfs/dbraw/zinc/42/49/45/958424945.db2.gz IGAXWXWONBVUNZ-CQSZACIVSA-N 2 0 283.460 1.859 10 0 CDAERP CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001319487021 958588091 /nfs/dbraw/zinc/58/80/91/958588091.db2.gz UDWQPOTXNDGFHR-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@]1(C)CC[NH+](CCCF)C1 ZINC001368150431 958667247 /nfs/dbraw/zinc/66/72/47/958667247.db2.gz HKPNBBVECVQIBR-GDBMZVCRSA-N 2 0 299.434 1.801 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@]1(C)CC[NH+](CC[C@H](C)F)C1 ZINC001368185769 958690952 /nfs/dbraw/zinc/69/09/52/958690952.db2.gz YMDXIYUVVZTLRE-ZFWWWQNUSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)OCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001319697424 958691718 /nfs/dbraw/zinc/69/17/18/958691718.db2.gz UCMRDIKIXHKWRN-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP CCC[NH2+]C1(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CCC1 ZINC001368496685 958898414 /nfs/dbraw/zinc/89/84/14/958898414.db2.gz QNJQAKXCKWUSOA-OKILXGFUSA-N 2 0 281.444 1.898 10 0 CDAERP CCC[NH2+]C[C@H](NC(=O)CCc1nccn1C)C1CC1 ZINC001569313309 1169760513 /nfs/dbraw/zinc/76/05/13/1169760513.db2.gz UPNOYCYUEOPPMT-ZDUSSCGKSA-N 2 0 278.400 1.247 10 0 CDAERP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CCC(C)C ZINC001495106227 972409160 /nfs/dbraw/zinc/40/91/60/972409160.db2.gz CASWTXVNFWRKQN-CQSZACIVSA-N 2 0 269.433 1.613 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C)C1C[NH+](CCC(C)C)C1)[NH+](C)C ZINC001369086968 959452111 /nfs/dbraw/zinc/45/21/11/959452111.db2.gz DVXVYDCXLCQLPY-HIFRSBDPSA-N 2 0 283.460 1.809 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC1(C[NH2+]CC2CC2)CCCC1 ZINC001495211103 972437702 /nfs/dbraw/zinc/43/77/02/972437702.db2.gz KTNHDKZAXXTBML-UHFFFAOYSA-N 2 0 281.444 1.755 10 0 CDAERP CN(C(=O)CC[NH+](C)C)C1CC([NH2+]C[C@@H]2CCCCO2)C1 ZINC001369575740 959770870 /nfs/dbraw/zinc/77/08/70/959770870.db2.gz VADNZNXFKQBBPX-NRXISQOPSA-N 2 0 297.443 1.086 10 0 CDAERP CCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001321542554 959843866 /nfs/dbraw/zinc/84/38/66/959843866.db2.gz WHKJMQYTKXGOFZ-HIFRSBDPSA-N 2 0 281.444 1.898 10 0 CDAERP CCCC[N@@H+]1CC[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001369979131 959945114 /nfs/dbraw/zinc/94/51/14/959945114.db2.gz TVAMDDRSCQFAFQ-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC[C@@H](C)F)C1 ZINC001370063332 959978274 /nfs/dbraw/zinc/97/82/74/959978274.db2.gz OZRWFYLNZGQUMI-OLZOCXBDSA-N 2 0 273.396 1.265 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001370432698 960100094 /nfs/dbraw/zinc/10/00/94/960100094.db2.gz VUDNUWPFVZRIEN-GJZGRUSLSA-N 2 0 299.434 1.801 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001370652525 960175864 /nfs/dbraw/zinc/17/58/64/960175864.db2.gz XLPJULWCTNXZLR-MQYQWHSLSA-N 2 0 287.423 1.558 10 0 CDAERP CCCC[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001322830512 960335303 /nfs/dbraw/zinc/33/53/03/960335303.db2.gz ASIMFQBDZFHOIV-CYBMUJFWSA-N 2 0 255.406 1.176 10 0 CDAERP C[C@H]1C[C@@H](N(C)C(=O)C2([NH+](C)C)CCCC2)CC[N@@H+]1C ZINC001433726848 960560854 /nfs/dbraw/zinc/56/08/54/960560854.db2.gz NTNUQGYHBWDMTB-KBPBESRZSA-N 2 0 281.444 1.802 10 0 CDAERP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+]2CC[C@H](F)C2)C1 ZINC001433791176 960618359 /nfs/dbraw/zinc/61/83/59/960618359.db2.gz YRHDAGUEAVMTEG-QLFBSQMISA-N 2 0 297.418 1.363 10 0 CDAERP C[NH+](C)CCCC1CC[NH+](CC2=NOCC2)CC1 ZINC001559655011 960791779 /nfs/dbraw/zinc/79/17/79/960791779.db2.gz RBKUXBJQVGPNQM-UHFFFAOYSA-N 2 0 253.390 1.817 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001418699151 960916054 /nfs/dbraw/zinc/91/60/54/960916054.db2.gz IBHKLHJUUQNLBO-MGPQQGTHSA-N 2 0 299.434 1.561 10 0 CDAERP CCN1CC[C@H]1C(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1 ZINC001434045834 960926975 /nfs/dbraw/zinc/92/69/75/960926975.db2.gz OWRGEEUTERPBGX-GJZGRUSLSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001418770109 961004845 /nfs/dbraw/zinc/00/48/45/961004845.db2.gz LXFMIHITTLTEHM-ZQDZILKHSA-N 2 0 299.434 1.703 10 0 CDAERP C[C@@H]([NH2+]CCF)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001418845932 961089348 /nfs/dbraw/zinc/08/93/48/961089348.db2.gz OKBZIJKSFXKNJI-ZIAGYGMSSA-N 2 0 299.434 1.514 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@H]1CC[NH+](CCF)C1 ZINC001418893017 961138289 /nfs/dbraw/zinc/13/82/89/961138289.db2.gz FHQISNWBFOFFLT-UONOGXRCSA-N 2 0 285.407 1.268 10 0 CDAERP C[N@@H+]1C[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)C(C)(C)C1 ZINC001434379429 961243271 /nfs/dbraw/zinc/24/32/71/961243271.db2.gz BWLIJHFGCPBHSQ-MJBXVCDLSA-N 2 0 279.428 1.460 10 0 CDAERP CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001436325737 962181937 /nfs/dbraw/zinc/18/19/37/962181937.db2.gz SFIPWRBAWXJLIS-CABCVRRESA-N 2 0 281.444 1.804 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]([NH2+]CCF)C2CC2)C1 ZINC001436811186 962431458 /nfs/dbraw/zinc/43/14/58/962431458.db2.gz MMOXLWSJBBQDQP-CABCVRRESA-N 2 0 299.434 1.562 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)CCC(C)C ZINC001420235750 962611080 /nfs/dbraw/zinc/61/10/80/962611080.db2.gz HELYLSWHEQLJIL-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]CCF)[NH+]1CCCC1 ZINC001437262874 962774648 /nfs/dbraw/zinc/77/46/48/962774648.db2.gz GWFCWKYQOUYVOF-QWHCGFSZSA-N 2 0 273.396 1.171 10 0 CDAERP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cccnc1 ZINC001437421509 962875213 /nfs/dbraw/zinc/87/52/13/962875213.db2.gz JPVDHNQSINBEBT-DZGCQCFKSA-N 2 0 290.411 1.018 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001420531924 963018845 /nfs/dbraw/zinc/01/88/45/963018845.db2.gz AHEDRKWNNNWCDI-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCC[NH+]2CCC2CC2)C1 ZINC001437681441 963117381 /nfs/dbraw/zinc/11/73/81/963117381.db2.gz STEZTLWMVLSLJO-GOEBONIOSA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)CCC[NH+]1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001438132652 963337963 /nfs/dbraw/zinc/33/79/63/963337963.db2.gz FALQNHOTPCAYKK-UHFFFAOYSA-N 2 0 295.471 1.812 10 0 CDAERP CC(C)C[NH2+]C[C@@](C)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001438428238 963445045 /nfs/dbraw/zinc/44/50/45/963445045.db2.gz HKRGGVWJQJXTQX-MRXNPFEDSA-N 2 0 281.444 1.613 10 0 CDAERP Cc1ncc(C[NH2+]C[C@H](C)N(C)C(=O)CCC[NH+](C)C)o1 ZINC001438675466 963522117 /nfs/dbraw/zinc/52/21/17/963522117.db2.gz RBFQIOUIVNRODU-LBPRGKRZSA-N 2 0 296.415 1.261 10 0 CDAERP CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)CC[C@H]21 ZINC001438955465 963610850 /nfs/dbraw/zinc/61/08/50/963610850.db2.gz VXQWZGJRTRAQRF-HUUCEWRRSA-N 2 0 281.444 1.661 10 0 CDAERP CC(C)CC[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001439645349 963830230 /nfs/dbraw/zinc/83/02/30/963830230.db2.gz KONMBIPOXPHSNN-AWEZNQCLSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)[C@H](C(=O)NCC1([NH2+]CC2CC2)CC1)[NH+]1CCCC1 ZINC001439679149 963838095 /nfs/dbraw/zinc/83/80/95/963838095.db2.gz WHVVNODWIQZQEG-OAHLLOKOSA-N 2 0 293.455 1.755 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCF ZINC001439697798 963839004 /nfs/dbraw/zinc/83/90/04/963839004.db2.gz SIDNLGSYQXKBPL-OKILXGFUSA-N 2 0 285.407 1.363 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](C/C=C/Cl)[C@@H]1C ZINC001440499953 964091865 /nfs/dbraw/zinc/09/18/65/964091865.db2.gz VZKGOWVMPZISIP-FMQXYTONSA-N 2 0 287.835 1.660 10 0 CDAERP CO[C@@H](C)C[NH2+]C1(C)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001440612143 964119493 /nfs/dbraw/zinc/11/94/93/964119493.db2.gz BDXMSFSIEFPCHY-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H](C[N@H+](C)CC2CC2)C1 ZINC001441308850 964456760 /nfs/dbraw/zinc/45/67/60/964456760.db2.gz VXKMUIAEBPVTEY-OAHLLOKOSA-N 2 0 281.444 1.519 10 0 CDAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1C[C@@H]([NH2+]CCF)C1 ZINC001441492034 964548051 /nfs/dbraw/zinc/54/80/51/964548051.db2.gz DVOBZGHJKVNOIJ-BETUJISGSA-N 2 0 299.434 1.846 10 0 CDAERP Cc1csc(C[NH2+][C@@H](C)CN(C)C(=O)CC[NH+](C)C)n1 ZINC001441586163 964603410 /nfs/dbraw/zinc/60/34/10/964603410.db2.gz FONPVOLELFNPLR-NSHDSACASA-N 2 0 298.456 1.340 10 0 CDAERP CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]21 ZINC001441871322 964759929 /nfs/dbraw/zinc/75/99/29/964759929.db2.gz MNMVELOAYTZWMB-RRFJBIMHSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@@H](C)C[NH2+][C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001442006881 964826592 /nfs/dbraw/zinc/82/65/92/964826592.db2.gz YNXCPOPOIVXYID-KGLIPLIRSA-N 2 0 283.460 1.859 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001442151951 964891495 /nfs/dbraw/zinc/89/14/95/964891495.db2.gz YPJOTYNDMRYOBM-ZIAGYGMSSA-N 2 0 287.423 1.705 10 0 CDAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[C@H]2[NH3+])C1 ZINC001346105046 964929815 /nfs/dbraw/zinc/92/98/15/964929815.db2.gz POWOVKUWALJYQI-MELADBBJSA-N 2 0 267.417 1.304 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CCNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001443241368 965406558 /nfs/dbraw/zinc/40/65/58/965406558.db2.gz IJLLRYOJTFCWCO-HUUCEWRRSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH+](C)CCF)C2)CC[N@@H+]1C ZINC001443329208 965441690 /nfs/dbraw/zinc/44/16/90/965441690.db2.gz OVQNVBKDSIFOBT-QLFBSQMISA-N 2 0 299.434 1.467 10 0 CDAERP CC/C=C/CC[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001569418964 1169873016 /nfs/dbraw/zinc/87/30/16/1169873016.db2.gz NCARINNLABEGSY-MBVDDHJVSA-N 2 0 293.455 1.923 10 0 CDAERP C[C@@H](F)CC[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCCC1 ZINC001444540546 965865513 /nfs/dbraw/zinc/86/55/13/965865513.db2.gz ZDXUOWJKYAKUTA-CQSZACIVSA-N 2 0 299.434 1.849 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+][C@H](C)COC)CC1 ZINC001446187399 966480280 /nfs/dbraw/zinc/48/02/80/966480280.db2.gz YXEHDHCJPNTNIU-ZIAGYGMSSA-N 2 0 297.443 1.134 10 0 CDAERP C[NH+](C)CCc1cccc(C(=O)N2CC([NH+](C)C)C2)c1 ZINC001447141381 966707577 /nfs/dbraw/zinc/70/75/77/966707577.db2.gz VKAHJLXQAYQDGG-UHFFFAOYSA-N 2 0 275.396 1.177 10 0 CDAERP C[NH+](C)CCC(=O)NCC1([NH2+]CC[C@H]2CCCO2)CCC1 ZINC001447233125 966729352 /nfs/dbraw/zinc/72/93/52/966729352.db2.gz ZLALVGXQQBKNIC-CQSZACIVSA-N 2 0 297.443 1.136 10 0 CDAERP CC1(C)C[C@@H]([NH2+][C@H](CO)CC(F)(F)F)C[C@@H]([NH3+])C1 ZINC001350955153 966806532 /nfs/dbraw/zinc/80/65/32/966806532.db2.gz GSFBWJWSSPCFNN-UTLUCORTSA-N 2 0 268.323 1.795 10 0 CDAERP C[C@@H]([NH2+]Cc1ccc(F)cc1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001447897754 966921923 /nfs/dbraw/zinc/92/19/23/966921923.db2.gz ITDMZJURFCOLCJ-OLZOCXBDSA-N 2 0 295.402 1.760 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001447932213 966933311 /nfs/dbraw/zinc/93/33/11/966933311.db2.gz LYWYPQZJJZVVPK-KBPBESRZSA-N 2 0 271.449 1.856 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)CC1CCCC1 ZINC001447999676 966960095 /nfs/dbraw/zinc/96/00/95/966960095.db2.gz PWJBKFHEYHJVPB-UKRRQHHQSA-N 2 0 281.444 1.707 10 0 CDAERP CC[NH2+][C@H](CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)C ZINC001448219788 967033825 /nfs/dbraw/zinc/03/38/25/967033825.db2.gz UBIQKCWSNUKOCQ-HUUCEWRRSA-N 2 0 283.460 1.811 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@H]1C[NH+](CCC)CC1(C)C ZINC001448417393 967105604 /nfs/dbraw/zinc/10/56/04/967105604.db2.gz OHMJARVYAJWTJX-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001448771412 967248747 /nfs/dbraw/zinc/24/87/47/967248747.db2.gz FLIJPZMUMRCHAO-AWEZNQCLSA-N 2 0 271.449 1.809 10 0 CDAERP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC([NH2+]C/C=C\Cl)C1 ZINC001449410828 967453938 /nfs/dbraw/zinc/45/39/38/967453938.db2.gz LZMQPOWKHMMZJF-JSWPSIGPSA-N 2 0 285.819 1.270 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[C@@H]2C[NH+](C)C[C@@H]12 ZINC001458051123 969255149 /nfs/dbraw/zinc/25/51/49/969255149.db2.gz XOSBGIKOQZUVOT-KBUPBQIOSA-N 2 0 279.428 1.317 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=[NH2+])NCCc2cccs2)C1 ZINC000849049366 969437172 /nfs/dbraw/zinc/43/71/72/969437172.db2.gz NMRLTAJXQMHFOR-TXEJJXNPSA-N 2 0 280.441 1.745 10 0 CDAERP CC(C)[N@H+](C)C[C@@H](O)CN1CC[NH+](C2CCCC2)[C@H](C)C1 ZINC001460776650 969541754 /nfs/dbraw/zinc/54/17/54/969541754.db2.gz HXUBJBFCUWTQKW-NVXWUHKLSA-N 2 0 297.487 1.636 10 0 CDAERP C[C@@H](O)[C@@H](C)[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001460941582 969568802 /nfs/dbraw/zinc/56/88/02/969568802.db2.gz KITMMTPUKOCCJD-ZIAGYGMSSA-N 2 0 270.417 1.069 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC001361896904 970652593 /nfs/dbraw/zinc/65/25/93/970652593.db2.gz FGTNHSSHEFGKPU-BZUAXINKSA-N 2 0 293.455 1.804 10 0 CDAERP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[NH+](CC2CCC2)CC1 ZINC001472958121 970734110 /nfs/dbraw/zinc/73/41/10/970734110.db2.gz FNQXVTMDPUREDA-MRXNPFEDSA-N 2 0 291.439 1.273 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)CC[N@@H+]2CC[C@H](F)C2)C1 ZINC001361989598 970747660 /nfs/dbraw/zinc/74/76/60/970747660.db2.gz POFODWPOQOAHLQ-UONOGXRCSA-N 2 0 285.407 1.363 10 0 CDAERP CCC[NH2+]C[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001495789240 972631099 /nfs/dbraw/zinc/63/10/99/972631099.db2.gz ULCWEKGKZLHMHH-QWHCGFSZSA-N 2 0 257.422 1.325 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCC2CC2)[C@H](C)C1 ZINC001496376366 972902666 /nfs/dbraw/zinc/90/26/66/972902666.db2.gz QJBCRZXVYNUPCL-GDBMZVCRSA-N 2 0 295.471 1.953 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CCC[N@@H+]1CC1CCC1 ZINC001372562679 973018418 /nfs/dbraw/zinc/01/84/18/973018418.db2.gz CNZHPRYILAQLOP-HNNXBMFYSA-N 2 0 279.428 1.463 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+](C(C)C)C2)C1 ZINC001417619870 973204206 /nfs/dbraw/zinc/20/42/06/973204206.db2.gz INLJYYBINFDCGA-HOTGVXAUSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@H](CC[NH2+]C/C=C/Cl)NC(=O)C1([NH+](C)C)CCC1 ZINC001497206011 973245092 /nfs/dbraw/zinc/24/50/92/973245092.db2.gz PTYXJMHNYFGGQF-BIPYJSMBSA-N 2 0 287.835 1.708 10 0 CDAERP C[C@H](CC[NH2+]Cc1cncs1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001497240779 973257605 /nfs/dbraw/zinc/25/76/05/973257605.db2.gz IHSKPPHWZKSONR-DGCLKSJQSA-N 2 0 296.440 1.222 10 0 CDAERP C[NH+](C)C1(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CCCC1 ZINC001417670058 973263884 /nfs/dbraw/zinc/26/38/84/973263884.db2.gz XDHFRBVLMSCWSR-CABCVRRESA-N 2 0 293.455 1.804 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001417791872 973387401 /nfs/dbraw/zinc/38/74/01/973387401.db2.gz MQFJMDMWRZRUDM-JYJNAYRXSA-N 2 0 295.471 1.859 10 0 CDAERP COCC[N@@H+]1CCC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001373395192 973413535 /nfs/dbraw/zinc/41/35/35/973413535.db2.gz IATZYKQKFAYGHV-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CC1CC[NH+](CC(=O)NC/C=C/C[NH2+]C/C=C\Cl)CC1 ZINC001497715234 973476107 /nfs/dbraw/zinc/47/61/07/973476107.db2.gz RXBSCZDAZMHGII-SWBALALESA-N 2 0 299.846 1.733 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccns2)C1 ZINC001418101750 973586299 /nfs/dbraw/zinc/58/62/99/973586299.db2.gz HLPRPAWPBLEVMD-TXEJJXNPSA-N 2 0 296.440 1.222 10 0 CDAERP C[C@H](NC(=O)C[NH+]1CCCC1)[C@@H]1CCC[N@H+](CCF)C1 ZINC001418175988 973623815 /nfs/dbraw/zinc/62/38/15/973623815.db2.gz QHULOPVEWGGKGH-UONOGXRCSA-N 2 0 285.407 1.268 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]CC[C@@H]1CCOC1)[NH+](C)C ZINC001498056135 973651755 /nfs/dbraw/zinc/65/17/55/973651755.db2.gz LTPYYAQRSPAQCU-ZNMIVQPWSA-N 2 0 299.459 1.094 10 0 CDAERP CC[NH2+]C[C@@](C)(NC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001373881716 973677759 /nfs/dbraw/zinc/67/77/59/973677759.db2.gz SFAFPAFLAADECL-GOEBONIOSA-N 2 0 281.444 1.755 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC1CCC1 ZINC001418231811 973683521 /nfs/dbraw/zinc/68/35/21/973683521.db2.gz XTVSDEHWOUEXMB-UKRRQHHQSA-N 2 0 281.444 1.755 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)C[NH+](C)CC)C1 ZINC001498366268 973862876 /nfs/dbraw/zinc/86/28/76/973862876.db2.gz PDICRRCJJGRQGI-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP Cc1ccncc1C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001374736242 974088734 /nfs/dbraw/zinc/08/87/34/974088734.db2.gz ABRJUOYKBCTSFS-HIFRSBDPSA-N 2 0 290.411 1.079 10 0 CDAERP Cc1ccccc1C[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001374846666 974145564 /nfs/dbraw/zinc/14/55/64/974145564.db2.gz JMEJIUQWKAURNS-OAHLLOKOSA-N 2 0 289.423 1.685 10 0 CDAERP CC[C@H](F)C[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001499420261 974251241 /nfs/dbraw/zinc/25/12/41/974251241.db2.gz DFPGONYMKSWFOR-OLZOCXBDSA-N 2 0 285.407 1.315 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N[C@@]2(C)CC[NH+](CCCF)C2)C1 ZINC001375845910 974493371 /nfs/dbraw/zinc/49/33/71/974493371.db2.gz RWWVFRZTUPUXEL-ZFWWWQNUSA-N 2 0 285.407 1.268 10 0 CDAERP CCCC[N@@H+]1CCC[C@](CO)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001501368859 974571798 /nfs/dbraw/zinc/57/17/98/974571798.db2.gz LSKIQTWHQFWAIO-INIZCTEOSA-N 2 0 299.459 1.070 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C ZINC001501400076 974579016 /nfs/dbraw/zinc/57/90/16/974579016.db2.gz OQRPARKTVCGRFT-CVEARBPZSA-N 2 0 293.455 1.970 10 0 CDAERP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001376154816 974587547 /nfs/dbraw/zinc/58/75/47/974587547.db2.gz HWCFSCDMXIYWMB-HUUCEWRRSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H](F)CC[NH2+][C@@H]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001376482546 974672782 /nfs/dbraw/zinc/67/27/82/974672782.db2.gz SXYHMCSYAPVMIA-KFWWJZLASA-N 2 0 299.434 1.703 10 0 CDAERP C[N@H+](CCCF)C[C@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C ZINC001505435914 974878309 /nfs/dbraw/zinc/87/83/09/974878309.db2.gz RBVOJKFKVMXHQH-HUUCEWRRSA-N 2 0 299.434 1.753 10 0 CDAERP CN(CC(C)(C)C[NH2+]CCC1CC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001505801711 974991476 /nfs/dbraw/zinc/99/14/76/974991476.db2.gz QEDCHKGSPKRTHZ-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](C(=O)NC[C@H]1CC[N@H+](CCOC(C)C)C1)[NH+](C)C ZINC001377444164 975029700 /nfs/dbraw/zinc/02/97/00/975029700.db2.gz HNQSLDATYYPNMG-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@H](C[N@H+](C)CC2CCCC2)C1 ZINC001377767342 975133704 /nfs/dbraw/zinc/13/37/04/975133704.db2.gz LMCURBBPJSZLJA-MRXNPFEDSA-N 2 0 295.471 1.909 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1CC[C@]2(C1)C[NH+](CC)CCO2 ZINC001506722744 975206521 /nfs/dbraw/zinc/20/65/21/975206521.db2.gz GUQQWJQCFSNKGA-MRXNPFEDSA-N 2 0 297.443 1.042 10 0 CDAERP CC(C)=CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001506913541 975257712 /nfs/dbraw/zinc/25/77/12/975257712.db2.gz GJDMPFQXLINAAC-GJZGRUSLSA-N 2 0 281.444 1.921 10 0 CDAERP CC(C)CC[N@H+](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001506962361 975275724 /nfs/dbraw/zinc/27/57/24/975275724.db2.gz YGQNYVQUXRHJQI-UHFFFAOYSA-N 2 0 283.460 1.907 10 0 CDAERP CCC(CC)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001378233258 975300234 /nfs/dbraw/zinc/30/02/34/975300234.db2.gz OLOJVTSYFMTOJN-CABCVRRESA-N 2 0 299.459 1.238 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCC1CC1 ZINC001507086027 975331113 /nfs/dbraw/zinc/33/11/13/975331113.db2.gz ARBCINKXVXOHLF-DZGCQCFKSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001378510975 975371081 /nfs/dbraw/zinc/37/10/81/975371081.db2.gz IYPBPPGMTACQCT-LSDHHAIUSA-N 2 0 281.444 1.565 10 0 CDAERP CC[NH2+][C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC001404398636 975380941 /nfs/dbraw/zinc/38/09/41/975380941.db2.gz VIPCXRKKXRKOBB-GDBMZVCRSA-N 2 0 289.423 1.795 10 0 CDAERP C[C@H]1[C@H]([NH2+]CCCF)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001507288636 975399658 /nfs/dbraw/zinc/39/96/58/975399658.db2.gz MTKRKGOIVBTVPG-DZGCQCFKSA-N 2 0 299.434 1.657 10 0 CDAERP COCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001507324665 975415178 /nfs/dbraw/zinc/41/51/78/975415178.db2.gz CIMUQTFYVCJNBF-UONOGXRCSA-N 2 0 299.459 1.190 10 0 CDAERP CC/C=C/CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001507323614 975416316 /nfs/dbraw/zinc/41/63/16/975416316.db2.gz YOFKIAZQNIRZOM-WLBISTCBSA-N 2 0 281.444 1.873 10 0 CDAERP CCC[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001507341364 975424893 /nfs/dbraw/zinc/42/48/93/975424893.db2.gz SNZLGWZVJMESBF-STQMWFEESA-N 2 0 255.406 1.316 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC2CC2)CC1(C)C ZINC001378665007 975435641 /nfs/dbraw/zinc/43/56/41/975435641.db2.gz QDWJZPOARGPJDV-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP Cc1oncc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001378747560 975474106 /nfs/dbraw/zinc/47/41/06/975474106.db2.gz AUIRFSNTHUIMBE-RISCZKNCSA-N 2 0 294.399 1.014 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@@H]1[C@H]2C[NH+](CCC(C)C)C[C@H]21 ZINC001378759485 975479401 /nfs/dbraw/zinc/47/94/01/975479401.db2.gz OIJZDEOGXGLXIO-PHZGNYQRSA-N 2 0 295.471 1.668 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@H](C)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001378770741 975486619 /nfs/dbraw/zinc/48/66/19/975486619.db2.gz BJMUEQDRYICGKA-CHWSQXEVSA-N 2 0 287.423 1.655 10 0 CDAERP Cc1nocc1C[NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001378855762 975516683 /nfs/dbraw/zinc/51/66/83/975516683.db2.gz TUWWCAQHCPWLLV-LBPRGKRZSA-N 2 0 294.399 1.015 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCC2CC2)[C@@H]1C)[NH+](C)C ZINC001397269724 975525792 /nfs/dbraw/zinc/52/57/92/975525792.db2.gz IJKZLWVTUHLUHB-SNPRPXQTSA-N 2 0 281.444 1.706 10 0 CDAERP C[C@@H](F)CC[NH+]1CC(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001404926022 975544828 /nfs/dbraw/zinc/54/48/28/975544828.db2.gz FRRKMXUBAUIQEL-CQSZACIVSA-N 2 0 299.434 1.514 10 0 CDAERP CC(C)[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001378962646 975566927 /nfs/dbraw/zinc/56/69/27/975566927.db2.gz BUENHILDDDGNAG-LSDHHAIUSA-N 2 0 283.460 1.998 10 0 CDAERP CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)[C@@H]21 ZINC001388769562 975589352 /nfs/dbraw/zinc/58/93/52/975589352.db2.gz QLRLWQBPQQPPFK-FVQBIDKESA-N 2 0 295.471 1.952 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1CCCF ZINC001388789097 975597081 /nfs/dbraw/zinc/59/70/81/975597081.db2.gz XPPKFKSSQFTZPS-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP CC[NH2+]CCOCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001508177561 975629902 /nfs/dbraw/zinc/62/99/02/975629902.db2.gz GHYRPNPDYFUWBY-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@H]1C[C@@H]([NH2+]CCC2CC2)C1 ZINC001397632036 975664046 /nfs/dbraw/zinc/66/40/46/975664046.db2.gz VVEOTULQPWGHFL-GASCZTMLSA-N 2 0 279.428 1.367 10 0 CDAERP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cnc(C)o1 ZINC001405281966 975704714 /nfs/dbraw/zinc/70/47/14/975704714.db2.gz YAPQLTUDUGBITI-GXTWGEPZSA-N 2 0 294.399 1.062 10 0 CDAERP CC(C)[NH2+]CC[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001401606586 975728220 /nfs/dbraw/zinc/72/82/20/975728220.db2.gz QRXGISNZCYJHTL-GJZGRUSLSA-N 2 0 283.460 2.000 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+]CC1CC(C)C1 ZINC001405721525 975834147 /nfs/dbraw/zinc/83/41/47/975834147.db2.gz UFLKSYNKOJCCCN-SHARSMKWSA-N 2 0 283.460 1.715 10 0 CDAERP CC[C@H](C(=O)N[C@@]12CCC[C@H]1[N@H+](CCOC)CC2)[NH+](C)C ZINC001379615330 975953676 /nfs/dbraw/zinc/95/36/76/975953676.db2.gz CSPJCBGHWRIVOE-IIAWOOMASA-N 2 0 297.443 1.086 10 0 CDAERP CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001401925849 976012346 /nfs/dbraw/zinc/01/23/46/976012346.db2.gz OIPYNOLMVJWICX-GJZGRUSLSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H](C[N@H+](C)CC[C@@H]1CCCCO1)NC(=O)CC[NH+](C)C ZINC001379743416 976046620 /nfs/dbraw/zinc/04/66/20/976046620.db2.gz PETRPSAIUSGADC-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCN(C)C(=O)C[NH+](C)C(C)C ZINC001406178243 976084700 /nfs/dbraw/zinc/08/47/00/976084700.db2.gz QMCGDVNCGLCIQF-AWEZNQCLSA-N 2 0 271.449 1.763 10 0 CDAERP CCCC[NH+]1CC(N(C)C(=O)COC2CC[NH+](C)CC2)C1 ZINC001402036071 976088809 /nfs/dbraw/zinc/08/88/09/976088809.db2.gz UXLRHPGAWIBFHZ-UHFFFAOYSA-N 2 0 297.443 1.040 10 0 CDAERP Cc1ncoc1C[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001398671097 976099534 /nfs/dbraw/zinc/09/95/34/976099534.db2.gz WSMVTSQCMUYBLI-BETUJISGSA-N 2 0 294.399 1.060 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001398668789 976100521 /nfs/dbraw/zinc/10/05/21/976100521.db2.gz WBXLJZSTWLSMOD-SYQHCUMBSA-N 2 0 285.407 1.313 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCC[NH+](CCCF)C2)C1 ZINC001398688646 976106731 /nfs/dbraw/zinc/10/67/31/976106731.db2.gz LJMUEOVYYSBGCK-GJZGRUSLSA-N 2 0 299.434 1.516 10 0 CDAERP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]CC2CC2)C2CC2)CC[N@@H+]1C ZINC001379858889 976107878 /nfs/dbraw/zinc/10/78/78/976107878.db2.gz PEZFQHHPPYNFCK-DFBGVHRSSA-N 2 0 279.428 1.221 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001398747279 976136406 /nfs/dbraw/zinc/13/64/06/976136406.db2.gz UECRONRRVNWSTA-HUUCEWRRSA-N 2 0 283.460 1.812 10 0 CDAERP O=C(Cn1ccnc1)NC[C@@H]1CCCC[N@@H+]1CC1CC1 ZINC001398757759 976138894 /nfs/dbraw/zinc/13/88/94/976138894.db2.gz BZKWGFAOHUNWBM-AWEZNQCLSA-N 2 0 276.384 1.264 10 0 CDAERP CC(C)[NH2+]C[C@@H](C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001406400874 976165528 /nfs/dbraw/zinc/16/55/28/976165528.db2.gz OZLLNTWBXLGFQT-IUODEOHRSA-N 2 0 287.423 1.702 10 0 CDAERP COC[C@H](C)[N@H+](C)CCN(C(=O)[C@@H]1CCC[NH+]1C)C(C)C ZINC001379997028 976171998 /nfs/dbraw/zinc/17/19/98/976171998.db2.gz CUMCHPLNSBXRGD-GJZGRUSLSA-N 2 0 299.459 1.284 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1nc(C)cs1)[NH+](C)C ZINC001406422039 976176341 /nfs/dbraw/zinc/17/63/41/976176341.db2.gz SQTGPNJYBAQWGA-ZYHUDNBSSA-N 2 0 298.456 1.386 10 0 CDAERP CCC[NH2+][C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001402314363 976234078 /nfs/dbraw/zinc/23/40/78/976234078.db2.gz MKDJSFAMUFRIGI-HUUCEWRRSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@H](F)C[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001380141060 976261128 /nfs/dbraw/zinc/26/11/28/976261128.db2.gz WWFMFRWQMJMRCI-ZDUSSCGKSA-N 2 0 285.407 1.315 10 0 CDAERP CCC[NH+]1CCC([C@H](C)NC(=O)C[NH+]2CCCC2)CC1 ZINC001380145414 976262367 /nfs/dbraw/zinc/26/23/67/976262367.db2.gz DYQGOZLDDMAJMJ-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001398957467 976266938 /nfs/dbraw/zinc/26/69/38/976266938.db2.gz UPGDLTGYJZKERC-VXGBXAGGSA-N 2 0 273.396 1.313 10 0 CDAERP CO[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001402497137 976314628 /nfs/dbraw/zinc/31/46/28/976314628.db2.gz VJTXWLYFMQODPT-ZQDZILKHSA-N 2 0 297.443 1.133 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)C1C[NH+](CCC(C)(C)C)C1 ZINC001380258774 976318474 /nfs/dbraw/zinc/31/84/74/976318474.db2.gz RAAMTMJRUPIADL-UHFFFAOYSA-N 2 0 283.460 1.905 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1scnc1C)[NH+](C)C ZINC001390512019 976345474 /nfs/dbraw/zinc/34/54/74/976345474.db2.gz RBOVGIRSMDKAFH-ZYHUDNBSSA-N 2 0 298.456 1.386 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001402589556 976383513 /nfs/dbraw/zinc/38/35/13/976383513.db2.gz KNMRORQIGCGFHR-MQGFNKPDSA-N 2 0 285.819 1.460 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001399241015 976392636 /nfs/dbraw/zinc/39/26/36/976392636.db2.gz LHERIBSXXFZZSY-OLZOCXBDSA-N 2 0 273.396 1.124 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001380378211 976393315 /nfs/dbraw/zinc/39/33/15/976393315.db2.gz PDBALIIGFNHQBY-NVXWUHKLSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001406964586 976494127 /nfs/dbraw/zinc/49/41/27/976494127.db2.gz TXPAAJNSPIQMOU-GFCCVEGCSA-N 2 0 285.407 1.315 10 0 CDAERP CC(C)C[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001407038009 976522930 /nfs/dbraw/zinc/52/29/30/976522930.db2.gz KFORYAMBVXUIQO-KRWDZBQOSA-N 2 0 295.471 1.907 10 0 CDAERP CC[NH2+]C1(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CCOCC1 ZINC001407310036 976635371 /nfs/dbraw/zinc/63/53/71/976635371.db2.gz ONBJWCPWZAFACA-ZIAGYGMSSA-N 2 0 297.443 1.134 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@]1(C)CCC[N@H+](CC2CC2)C1 ZINC001407309703 976635539 /nfs/dbraw/zinc/63/55/39/976635539.db2.gz WZRAVXPFXXVYBR-INIZCTEOSA-N 2 0 281.444 1.566 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1)CC1CC1 ZINC001391019815 976650055 /nfs/dbraw/zinc/65/00/55/976650055.db2.gz JRXISGYIFMUNKU-INIZCTEOSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]Cc1ccccc1 ZINC001381104254 976675303 /nfs/dbraw/zinc/67/53/03/976675303.db2.gz NYMYUESMEJCJJI-HOCLYGCPSA-N 2 0 289.423 1.575 10 0 CDAERP CC(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001407653448 976725025 /nfs/dbraw/zinc/72/50/25/976725025.db2.gz KUTQISCPNBPKDU-JKSUJKDBSA-N 2 0 295.471 1.905 10 0 CDAERP CC[C@H](F)C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCC1 ZINC001407827984 976786805 /nfs/dbraw/zinc/78/68/05/976786805.db2.gz HZKNHGLGTPPWAP-ZDUSSCGKSA-N 2 0 285.407 1.459 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)CCC(F)(F)F ZINC001381506221 976880275 /nfs/dbraw/zinc/88/02/75/976880275.db2.gz ZLNBYZDPPYBLRX-MNOVXSKESA-N 2 0 295.349 1.470 10 0 CDAERP CCC(CC)C[NH+]1CC(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001391521894 976931734 /nfs/dbraw/zinc/93/17/34/976931734.db2.gz FWLBUIWEZDYGIE-UHFFFAOYSA-N 2 0 283.460 1.811 10 0 CDAERP CC1CC(C[N@@H+]2CCC[C@@H](NC(=O)CC[NH+](C)C)C2)C1 ZINC001400290120 976967677 /nfs/dbraw/zinc/96/76/77/976967677.db2.gz PCPFSNBAALGXFB-YMAMQOFZSA-N 2 0 281.444 1.565 10 0 CDAERP CCC[N@@H+]1CC[C@H](N(C)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001391617204 976994401 /nfs/dbraw/zinc/99/44/01/976994401.db2.gz MTKJGXPONPWQOX-CABCVRRESA-N 2 0 281.444 1.804 10 0 CDAERP CCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](CC[C@H](C)F)C1 ZINC001391658753 977020343 /nfs/dbraw/zinc/02/03/43/977020343.db2.gz QTKJDKQTUXWEJP-LSDHHAIUSA-N 2 0 299.434 1.753 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccccc1 ZINC001391669307 977034901 /nfs/dbraw/zinc/03/49/01/977034901.db2.gz XHXJTAXQDGZRNS-HOTGVXAUSA-N 2 0 289.423 1.765 10 0 CDAERP CC(C)[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC1CC1 ZINC001381996990 977115955 /nfs/dbraw/zinc/11/59/55/977115955.db2.gz WHRDSFKZSZMUHR-CABCVRRESA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)CC[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)C(C)C ZINC001392248458 977280221 /nfs/dbraw/zinc/28/02/21/977280221.db2.gz HEBKOLYDHPMPHU-OAHLLOKOSA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)CC[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C(C)C ZINC001392248454 977281741 /nfs/dbraw/zinc/28/17/41/977281741.db2.gz HEBKOLYDHPMPHU-HNNXBMFYSA-N 2 0 283.460 1.859 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C(C)(C)C ZINC001382526974 977302943 /nfs/dbraw/zinc/30/29/43/977302943.db2.gz ZHLQGWIOAOHCMS-STQMWFEESA-N 2 0 289.439 1.807 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]1C[C@H](C)CC ZINC001404015279 977307527 /nfs/dbraw/zinc/30/75/27/977307527.db2.gz IAEVCEFWHDFVAF-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP CC[NH+]1CCC(C2(NC(=O)CCC[NH+](C)C)CC2)CC1 ZINC001382592951 977314190 /nfs/dbraw/zinc/31/41/90/977314190.db2.gz MDQLBRSRYGSOGN-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@@H](C[N@H+](C)CCCF)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001392642540 977524645 /nfs/dbraw/zinc/52/46/45/977524645.db2.gz JPYDHFOAEYTGJO-YNEHKIRRSA-N 2 0 273.396 1.123 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCC(C)C)[NH+](C)C ZINC001392716933 977570469 /nfs/dbraw/zinc/57/04/69/977570469.db2.gz HMPOOEWIDOCYKQ-KBPBESRZSA-N 2 0 271.449 1.809 10 0 CDAERP CC(C)[N@@H+]1CCC[C@](C)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001393208304 977732606 /nfs/dbraw/zinc/73/26/06/977732606.db2.gz SYLOBNYZINRKGZ-MRXNPFEDSA-N 2 0 293.455 1.709 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CC1 ZINC001393469056 977793867 /nfs/dbraw/zinc/79/38/67/977793867.db2.gz WUXWMGZEJGGJBR-LSDHHAIUSA-N 2 0 279.428 1.413 10 0 CDAERP COCC[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001674727896 1173997943 /nfs/dbraw/zinc/99/79/43/1173997943.db2.gz BPHDZMFJQYVQPS-STQMWFEESA-N 2 0 287.448 1.094 10 0 CDAERP CCCCC[NH2+][C@H](C)[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001674774921 1174008997 /nfs/dbraw/zinc/00/89/97/1174008997.db2.gz SXJBLXYZGNHZEB-ZIAGYGMSSA-N 2 0 269.433 1.755 10 0 CDAERP CC(C)=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC001676989735 1174304659 /nfs/dbraw/zinc/30/46/59/1174304659.db2.gz HIKDKCHOUVTTNM-LSDHHAIUSA-N 2 0 293.455 1.873 10 0 CDAERP CCCC[NH2+][C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001570362576 1170143418 /nfs/dbraw/zinc/14/34/18/1170143418.db2.gz XSDBDOOQGKDDKH-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCCF)C(C)(C)C1 ZINC001571554078 1170474690 /nfs/dbraw/zinc/47/46/90/1170474690.db2.gz CRNUQLCKJRCCRW-CHWSQXEVSA-N 2 0 285.407 1.267 10 0 CDAERP CCC[N@H+](C)CCN(C(=O)CC[NH+](C)C)C(C)C ZINC001571614606 1170497025 /nfs/dbraw/zinc/49/70/25/1170497025.db2.gz MWOLGLBCYWTQCT-UHFFFAOYSA-N 2 0 257.422 1.517 10 0 CDAERP CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001656089803 1171763169 /nfs/dbraw/zinc/76/31/69/1171763169.db2.gz WZBSMOFUTUYINX-ZDUSSCGKSA-N 2 0 255.406 1.271 10 0 CDAERP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)[C@@H]1CCCCO1 ZINC000623862370 342492603 /nfs/dbraw/zinc/49/26/03/342492603.db2.gz SBQQSPTYTZVBER-CVEARBPZSA-N 2 0 283.460 1.561 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000589212553 342500391 /nfs/dbraw/zinc/50/03/91/342500391.db2.gz HJMDAFDFDIMYJZ-CQSZACIVSA-N 2 0 296.459 1.596 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)NCCCCn2ccnc2)C1 ZINC000618559317 349484260 /nfs/dbraw/zinc/48/42/60/349484260.db2.gz SNLNSODVYGEVCR-ZDUSSCGKSA-N 2 0 279.388 1.057 10 0 CDAERP COc1cc(C[NH2+]CCC2(C[NH3+])CC2)cc2c1OCO2 ZINC000650711906 398154780 /nfs/dbraw/zinc/15/47/80/398154780.db2.gz IPINKSHQOGQAPW-UHFFFAOYSA-N 2 0 278.352 1.643 10 0 CDAERP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C(C)C)C1(CO)CC=CC1 ZINC000653777618 539086253 /nfs/dbraw/zinc/08/62/53/539086253.db2.gz QJXKYYLHKWDUSM-LSDHHAIUSA-N 2 0 284.444 1.242 10 0 CDAERP COC(=O)CC1(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)CC1 ZINC000601333177 342554864 /nfs/dbraw/zinc/55/48/64/342554864.db2.gz BVOAJQMKDBLXEV-OLZOCXBDSA-N 2 0 266.385 1.404 10 0 CDAERP Cc1ccc(OC[C@H](O)C[NH2+][C@@H](C)CC[NH+](C)C)cc1 ZINC000049557491 342056417 /nfs/dbraw/zinc/05/64/17/342056417.db2.gz SQBKEXBESLXNNT-LSDHHAIUSA-N 2 0 280.412 1.665 10 0 CDAERP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000092954940 342061742 /nfs/dbraw/zinc/06/17/42/342061742.db2.gz NZLDRIODHSUWSH-ZFWWWQNUSA-N 2 0 279.428 1.319 10 0 CDAERP C[NH+](C)CCc1noc(CC[C@H]2CCCC[NH2+]2)n1 ZINC000096883635 185119188 /nfs/dbraw/zinc/11/91/88/185119188.db2.gz MTSGAKUMBUXNOL-LLVKDONJSA-N 2 0 252.362 1.248 10 0 CDAERP c1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3C[NH2+]CCO3)C2)cc1 ZINC000096949597 185138665 /nfs/dbraw/zinc/13/86/65/185138665.db2.gz RZCMOAWRTBEFSK-CVEARBPZSA-N 2 0 260.381 1.887 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000629391959 361907730 /nfs/dbraw/zinc/90/77/30/361907730.db2.gz FYINXWGRMBWHDP-WBVHZDCISA-N 2 0 291.439 1.648 10 0 CDAERP Cc1ccc(-c2n[nH]cc2C[NH2+]CCOCCC[NH3+])cc1 ZINC000629397667 361929001 /nfs/dbraw/zinc/92/90/01/361929001.db2.gz BBQHXGOWIOQORL-UHFFFAOYSA-N 2 0 288.395 1.840 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000629399692 361937163 /nfs/dbraw/zinc/93/71/63/361937163.db2.gz AMVXEFXXKHQEIH-UHFFFAOYSA-N 2 0 292.408 1.660 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCCC[NH+](C)C ZINC000594272549 342883954 /nfs/dbraw/zinc/88/39/54/342883954.db2.gz IKBMKGVMTRCYIP-OKILXGFUSA-N 2 0 284.448 1.500 10 0 CDAERP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000151326574 539073556 /nfs/dbraw/zinc/07/35/56/539073556.db2.gz XTGTZRMEHHVIOG-HUUCEWRRSA-N 2 0 299.459 1.070 10 0 CDAERP CC[C@H]([NH3+])CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000417939137 529450018 /nfs/dbraw/zinc/45/00/18/529450018.db2.gz KDRZUMSDKGBBJS-RRFJBIMHSA-N 2 0 290.411 1.468 10 0 CDAERP C[C@H](CSCCF)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000595011471 342993149 /nfs/dbraw/zinc/99/31/49/342993149.db2.gz HPOCIXQTQYLINN-CYBMUJFWSA-N 2 0 291.480 1.693 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000594918188 342985877 /nfs/dbraw/zinc/98/58/77/342985877.db2.gz MNZJHJUDWOIUFG-MGPQQGTHSA-N 2 0 268.401 1.650 10 0 CDAERP COC[C@H]([NH2+]CC1CC[NH+](C)CC1)C1CCOCC1 ZINC000187965071 293148863 /nfs/dbraw/zinc/14/88/63/293148863.db2.gz XMXDKLYFYQLENY-HNNXBMFYSA-N 2 0 270.417 1.359 10 0 CDAERP CC(C)[C@@H](C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)[NH+](C)C ZINC000645108209 362122244 /nfs/dbraw/zinc/12/22/44/362122244.db2.gz GWHQJNAGXRSUNJ-ILXRZTDVSA-N 2 0 281.444 1.563 10 0 CDAERP O=C(c1ccc2c[nH+]cn2c1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000645110517 362126347 /nfs/dbraw/zinc/12/63/47/362126347.db2.gz DNGUXHHICMUQCA-XJKSGUPXSA-N 2 0 298.390 1.939 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CCCN1CC(F)F ZINC000629519385 362138666 /nfs/dbraw/zinc/13/86/66/362138666.db2.gz PXRJSGHTGSGXCM-NWDGAFQWSA-N 2 0 279.375 1.059 10 0 CDAERP CCOC(=O)C1([C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)CC[NH2+]CC1 ZINC000596652838 343371678 /nfs/dbraw/zinc/37/16/78/343371678.db2.gz JBLSMMLDDXVCFQ-UONOGXRCSA-N 3 0 299.459 1.271 10 0 CDAERP O=C(C[C@@H]1[NH2+]Cc2ccccc21)NCC1=CC[NH2+]CC1 ZINC000659307376 412508705 /nfs/dbraw/zinc/50/87/05/412508705.db2.gz OQJRACZJPFCROR-HNNXBMFYSA-N 2 0 271.364 1.257 10 0 CDAERP C[C@@H]1CC[C@H](C[NH3+])N(CC(=O)N2CCCC2)[C@H]1C ZINC000316208418 362293003 /nfs/dbraw/zinc/29/30/03/362293003.db2.gz XUWCMCYHVAWRMY-FRRDWIJNSA-N 2 0 253.390 1.057 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCc3nc[nH]c3C2)C[N@@H+]1C1CC1 ZINC000612109163 347024167 /nfs/dbraw/zinc/02/41/67/347024167.db2.gz ZMWQSQZUUKPWRI-IJLUTSLNSA-N 2 0 288.395 1.256 10 0 CDAERP COC(=O)CCCC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000599451824 344065637 /nfs/dbraw/zinc/06/56/37/344065637.db2.gz IYMNTLQEMAGVDY-UHFFFAOYSA-N 2 0 284.400 1.126 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000571321484 362376337 /nfs/dbraw/zinc/37/63/37/362376337.db2.gz KNNRUBMZCZANJW-QLFBSQMISA-N 2 0 279.428 1.604 10 0 CDAERP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000263262318 362405997 /nfs/dbraw/zinc/40/59/97/362405997.db2.gz RDZOCGPPYZMIKC-NFAWXSAZSA-N 2 0 265.401 1.201 10 0 CDAERP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000263264905 362408374 /nfs/dbraw/zinc/40/83/74/362408374.db2.gz NIJRYKGZNGENMP-QLFBSQMISA-N 2 0 281.444 1.885 10 0 CDAERP C[C@H](CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000262674207 344697109 /nfs/dbraw/zinc/69/71/09/344697109.db2.gz QKPQXXKLXVUJEX-LVQVYYBASA-N 2 0 295.471 1.953 10 0 CDAERP CC[N@H+](C[C@H](O)CN(C)Cc1ccccc1)C1CC1 ZINC000303363692 344882553 /nfs/dbraw/zinc/88/25/53/344882553.db2.gz FEBUSNGGMNFQEU-MRXNPFEDSA-N 2 0 262.397 1.964 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)CC1([NH3+])CCCCC1 ZINC000084186340 178820379 /nfs/dbraw/zinc/82/03/79/178820379.db2.gz NXVWTIMGSQPKLJ-CYBMUJFWSA-N 2 0 267.417 1.591 10 0 CDAERP CCCCOC[C@H](O)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000300299658 345502804 /nfs/dbraw/zinc/50/28/04/345502804.db2.gz QXSQJMCKVMWPHF-HZSPNIEDSA-N 2 0 258.406 1.236 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC000079518416 362661177 /nfs/dbraw/zinc/66/11/77/362661177.db2.gz GJAUNQSDIMRYOR-INIZCTEOSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@H]1CCCCO1 ZINC000623902516 345725586 /nfs/dbraw/zinc/72/55/86/345725586.db2.gz JXTPMJQOXWBHDO-GOEBONIOSA-N 2 0 283.460 1.560 10 0 CDAERP CC[N@H+](CCN[C@@H]1CC[NH+](C)C(C)(C)C1)C1CC1 ZINC000623395401 346153106 /nfs/dbraw/zinc/15/31/06/346153106.db2.gz JOLSSEAUKPEIOD-CYBMUJFWSA-N 2 0 253.434 1.933 10 0 CDAERP C[NH+](C)CCOc1cccc(NC(=O)[C@H]2CCC[C@H]2[NH3+])c1 ZINC000085362959 179034608 /nfs/dbraw/zinc/03/46/08/179034608.db2.gz WPFVNBNYKVYVDF-LSDHHAIUSA-N 2 0 291.395 1.693 10 0 CDAERP Cc1ccncc1C[NH2+]C[C@H]1CCCCN1CCO ZINC000449396541 362691977 /nfs/dbraw/zinc/69/19/77/362691977.db2.gz LWZCIQLLYDOBJW-OAHLLOKOSA-N 2 0 263.385 1.326 10 0 CDAERP CCO[C@@H]1C[C@@H]([NH2+]CCN2CC[NH+](C)CC2)C1(C)C ZINC000085385332 179046310 /nfs/dbraw/zinc/04/63/10/179046310.db2.gz WMQBKNQSDYIBOH-ZIAGYGMSSA-N 2 0 269.433 1.027 10 0 CDAERP CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000623418418 346348091 /nfs/dbraw/zinc/34/80/91/346348091.db2.gz QHCXGNCCLRDLGH-VXGBXAGGSA-N 2 0 276.446 1.272 10 0 CDAERP C[C@H](C(=O)NC1CC1)[N@@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403792 179052914 /nfs/dbraw/zinc/05/29/14/179052914.db2.gz CHNFPNDKLIAENK-CZUORRHYSA-N 2 0 293.455 1.898 10 0 CDAERP CCCNC(=O)C[N@@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403597 179053152 /nfs/dbraw/zinc/05/31/52/179053152.db2.gz PNCCVBGJNNMIIE-OAHLLOKOSA-N 2 0 281.444 1.757 10 0 CDAERP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(C)(C2CC2)CC1 ZINC000584787989 346434675 /nfs/dbraw/zinc/43/46/75/346434675.db2.gz IIRWVZGMYPSSIN-AWEZNQCLSA-N 2 0 254.418 1.811 10 0 CDAERP CCCc1nc2c(n1CC[N@H+](C)CC)CC[NH2+]C2 ZINC000085571008 179095806 /nfs/dbraw/zinc/09/58/06/179095806.db2.gz MIALPMWQFIRDQD-UHFFFAOYSA-N 2 0 250.390 1.433 10 0 CDAERP COCCOCC[N@@H+]1CC2(CCCC2)[NH2+]CC[C@@H]1C ZINC000085623314 179105868 /nfs/dbraw/zinc/10/58/68/179105868.db2.gz QPAIMGCOPGFTEF-AWEZNQCLSA-N 2 0 270.417 1.646 10 0 CDAERP C[C@@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)CN1CCOCC1 ZINC000623427163 346576062 /nfs/dbraw/zinc/57/60/62/346576062.db2.gz OLCFXLPBTDFICU-LSDHHAIUSA-N 2 0 283.460 1.417 10 0 CDAERP CNC(=O)[C@H](CC(C)C)N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623473862 347407896 /nfs/dbraw/zinc/40/78/96/347407896.db2.gz KTGKJEHAVZOSAP-OLZOCXBDSA-N 2 0 269.433 1.610 10 0 CDAERP C[C@@]1(c2ccccc2)CN([C@@H]2C[NH+]3CCC2CC3)CC[NH2+]1 ZINC000086124849 179235917 /nfs/dbraw/zinc/23/59/17/179235917.db2.gz LFYUGBOSPFEYQX-MSOLQXFVSA-N 2 0 285.435 1.901 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCO[C@]3(CCOC3)C2)CC1(C)C ZINC000623481914 347437670 /nfs/dbraw/zinc/43/76/70/347437670.db2.gz ZNDUGUPKDZQYEQ-OFQRWUPVSA-N 2 0 282.428 1.787 10 0 CDAERP CC[C@@H]1C[NH2+][C@H](C(C)C)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086172093 179244855 /nfs/dbraw/zinc/24/48/55/179244855.db2.gz MBOYHUBKKBMNNG-KFWWJZLASA-N 2 0 253.434 1.789 10 0 CDAERP CC(C)C[C@H]1CN(C[C@@H]2CCC[N@H+](C)C2)CC[NH2+]1 ZINC000086145791 179239240 /nfs/dbraw/zinc/23/92/40/179239240.db2.gz VGYCXZPLPDVDSH-CABCVRRESA-N 2 0 253.434 1.648 10 0 CDAERP CC[C@@H]1CN([C@@H]2CCC[N@H+](C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086223982 179253236 /nfs/dbraw/zinc/25/32/36/179253236.db2.gz HTFISHKVGXTVIY-KFWWJZLASA-N 2 0 253.434 1.789 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H](CCO)C2CCOCC2)CC1(C)C ZINC000623492864 347603356 /nfs/dbraw/zinc/60/33/56/347603356.db2.gz MMBGOSWOYCQMJR-GJZGRUSLSA-N 2 0 284.444 1.626 10 0 CDAERP CC[C@H]1CN[C@H](C2CC2)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086259046 179257072 /nfs/dbraw/zinc/25/70/72/179257072.db2.gz IAKLFMCFKFZGNO-HOTGVXAUSA-N 2 0 265.445 1.791 10 0 CDAERP Cn1cnc(CC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623546807 347626229 /nfs/dbraw/zinc/62/62/29/347626229.db2.gz UCBXSMCRVRLJQT-GFCCVEGCSA-N 2 0 250.390 1.425 10 0 CDAERP C[C@@H](N[C@@H]1CC[N@H+](C)C(C)(C)C1)c1nccn1C ZINC000623574068 347639919 /nfs/dbraw/zinc/63/99/19/347639919.db2.gz CWRUPMVWUWZKAE-VXGBXAGGSA-N 2 0 250.390 1.944 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCC2(O)CCOCC2)[C@H]2CCC[C@H]21 ZINC000367698828 290217315 /nfs/dbraw/zinc/21/73/15/290217315.db2.gz QPNHJBOJWHOOOY-QLFBSQMISA-N 2 0 282.428 1.380 10 0 CDAERP COc1cc([C@H](C)[NH2+]CCOCCC[NH3+])ccc1F ZINC000629538134 362953545 /nfs/dbraw/zinc/95/35/45/362953545.db2.gz MHHMOCKUKVWVAA-NSHDSACASA-N 2 0 270.348 1.850 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@@H]1CCCNc2ccccc21 ZINC000629535436 362960463 /nfs/dbraw/zinc/96/04/63/362960463.db2.gz CQNOXNNHCWVHSL-OAHLLOKOSA-N 2 0 263.385 1.888 10 0 CDAERP CC(=O)N1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000621773105 350769317 /nfs/dbraw/zinc/76/93/17/350769317.db2.gz GDEMIJDOONDLMR-BARDWOONSA-N 2 0 265.401 1.070 10 0 CDAERP C[C@@H](CCNC(=O)CC[C@H]1CCCC[N@@H+]1C)[NH+](C)C ZINC000622143653 351033620 /nfs/dbraw/zinc/03/36/20/351033620.db2.gz DHLSHHVBDLGHSY-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC000629556192 362992857 /nfs/dbraw/zinc/99/28/57/362992857.db2.gz NBSBBLKLLNWMRF-YPMHNXCESA-N 2 0 253.390 1.247 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC2CC([NH+]3CCCCC3)C2)CC[N@@H+]1C ZINC000632811271 363005836 /nfs/dbraw/zinc/00/58/36/363005836.db2.gz ANQCKYOEAIQFQK-SSHXOBKSSA-N 2 0 293.455 1.850 10 0 CDAERP COC[C@H](C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)OC ZINC000629564092 363014396 /nfs/dbraw/zinc/01/43/96/363014396.db2.gz RLPIFKGSDQRRMK-DCAQKATOSA-N 2 0 284.322 1.107 10 0 CDAERP O[C@H](CNC1CC([NH+]2CCCCC2)C1)C[NH+]1CCCC1 ZINC000629578987 363029893 /nfs/dbraw/zinc/02/98/93/363029893.db2.gz OHCPRBKSUBBEEK-UYSNPLJNSA-N 2 0 281.444 1.050 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000629592373 363102785 /nfs/dbraw/zinc/10/27/85/363102785.db2.gz AYKWSRWKEAVOID-SOUVJXGZSA-N 3 0 251.418 1.308 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)C1 ZINC000422746976 535176070 /nfs/dbraw/zinc/17/60/70/535176070.db2.gz XUTYJQFCFVMNQU-OIISXLGYSA-N 2 0 295.471 1.463 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cnc(C)o1 ZINC000628278110 363364642 /nfs/dbraw/zinc/36/46/42/363364642.db2.gz ABKBHAWVGNRFTG-HNNXBMFYSA-N 2 0 294.443 1.831 10 0 CDAERP C[NH+](C)CCN(C(=O)CC[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC000356294379 366223622 /nfs/dbraw/zinc/22/36/22/366223622.db2.gz SJQGRZNDIRXDLX-CQSZACIVSA-N 2 0 281.444 1.804 10 0 CDAERP C[C@H](Cn1ccnc1)NC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000235494500 140235704 /nfs/dbraw/zinc/23/57/04/140235704.db2.gz RFYYZHBLUCIKRK-VXGBXAGGSA-N 2 0 264.373 1.166 10 0 CDAERP C[C@H](O)[C@H](C)[NH2+]Cc1ccc(CC[NH+](C)C)cc1 ZINC000644629852 366266264 /nfs/dbraw/zinc/26/62/64/366266264.db2.gz RSTDSOYMJATDEU-STQMWFEESA-N 2 0 250.386 1.650 10 0 CDAERP Cc1ncc(C[NH+](C)CCCNC(=O)C[N@@H+](C)C(C)C)o1 ZINC001660408802 1172210785 /nfs/dbraw/zinc/21/07/85/1172210785.db2.gz NWHGGDSUDUVBQT-UHFFFAOYSA-N 2 0 296.415 1.261 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000669574067 482769998 /nfs/dbraw/zinc/76/99/98/482769998.db2.gz KOMKBRVOMCTFCC-OLZOCXBDSA-N 2 0 270.421 1.097 10 0 CDAERP CCC[NH+]1CCC(C[NH2+]C[C@H](O)C[C@](C)(O)C2CC2)CC1 ZINC000634700452 357370897 /nfs/dbraw/zinc/37/08/97/357370897.db2.gz AELVZFWVNKBNMK-SJORKVTESA-N 2 0 298.471 1.610 10 0 CDAERP CN(CC(=O)NC[C@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000058363488 357397873 /nfs/dbraw/zinc/39/78/73/357397873.db2.gz BSWAPNHPPHCPOA-OAHLLOKOSA-N 2 0 275.396 1.329 10 0 CDAERP CSC1(C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000310417828 357894260 /nfs/dbraw/zinc/89/42/60/357894260.db2.gz PYIXDCBLXURXEV-GFCCVEGCSA-N 2 0 258.431 1.318 10 0 CDAERP C[C@H]1C[C@H](C[NH+]2CCC(c3ncc[nH]3)CC2)CC[NH2+]1 ZINC000334850827 291122842 /nfs/dbraw/zinc/12/28/42/291122842.db2.gz VQXAMZUINDWRQS-QWHCGFSZSA-N 2 0 262.401 1.977 10 0 CDAERP CCC(CC)(C[NH3+])C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634743959 358191804 /nfs/dbraw/zinc/19/18/04/358191804.db2.gz JWMJYKCTPNYCDT-OKILXGFUSA-N 2 0 267.417 1.210 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@H]1CCCC[C@@]1(C)[NH3+])C2 ZINC000634743956 358192363 /nfs/dbraw/zinc/19/23/63/358192363.db2.gz JWIJIBPJDVVJLL-DMRZNYOFSA-N 2 0 279.428 1.352 10 0 CDAERP CC(C)[NH2+]CCC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634752503 358257449 /nfs/dbraw/zinc/25/74/49/358257449.db2.gz NDDQEMARCVJNPO-GFCCVEGCSA-N 2 0 255.406 1.269 10 0 CDAERP COC1CCC([NH2+]C[C@H]2CCCCN2CCO)CC1 ZINC000449396396 358542289 /nfs/dbraw/zinc/54/22/89/358542289.db2.gz RTXHHERHGMDRIR-SHARSMKWSA-N 2 0 270.417 1.380 10 0 CDAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)COC2CCC([NH3+])CC2)C1 ZINC000569572516 358632682 /nfs/dbraw/zinc/63/26/82/358632682.db2.gz FJWIXZULXJGABY-NFOMZHRRSA-N 2 0 297.443 1.073 10 0 CDAERP C[NH2+][C@H](C)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000054076063 358701103 /nfs/dbraw/zinc/70/11/03/358701103.db2.gz CIOFVJWKYFEQAU-YRGRVCCFSA-N 2 0 255.406 1.221 10 0 CDAERP O=C(C[C@@H]1CCC[NH2+]C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062973192 358814034 /nfs/dbraw/zinc/81/40/34/358814034.db2.gz OZIWLODSXFQYMF-KBPBESRZSA-N 2 0 265.401 1.073 10 0 CDAERP C[N@H+](CCNC(=O)c1ccccc1CC[NH3+])C1CC1 ZINC000070542338 358966104 /nfs/dbraw/zinc/96/61/04/358966104.db2.gz IRPLBMSTIJJJIN-UHFFFAOYSA-N 2 0 261.369 1.012 10 0 CDAERP C1CC1N1CCC([NH2+][C@H]2CCC[C@H]2[C@H]2COCCN2)CC1 ZINC000261889026 359079150 /nfs/dbraw/zinc/07/91/50/359079150.db2.gz GERJJEUTDYQGHM-IXDOHACOSA-N 3 0 293.455 1.360 10 0 CDAERP C[C@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C[N@@H+]1C1CC1 ZINC000346886856 359099929 /nfs/dbraw/zinc/09/99/29/359099929.db2.gz DBMTUVIZJWOSPB-GXTWGEPZSA-N 2 0 279.428 1.460 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000346965497 359114090 /nfs/dbraw/zinc/11/40/90/359114090.db2.gz IPQUUYFAIFLCRB-INIZCTEOSA-N 2 0 293.455 1.802 10 0 CDAERP c1cncc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)c1 ZINC000262029074 359124276 /nfs/dbraw/zinc/12/42/76/359124276.db2.gz XIJMTWLJQAUMSF-ZNMIVQPWSA-N 2 0 261.369 1.328 10 0 CDAERP COCCO[C@@H]1CCC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262033464 359125539 /nfs/dbraw/zinc/12/55/39/359125539.db2.gz OHPHYMUWELNRPQ-ZIAGYGMSSA-N 2 0 256.390 1.113 10 0 CDAERP C[C@@H](C(=O)N1CC[N@H+](C)CC12CCCCC2)C1C[NH2+]C1 ZINC000262399661 359163878 /nfs/dbraw/zinc/16/38/78/359163878.db2.gz PJVYMKKLTOYBTB-CYBMUJFWSA-N 2 0 279.428 1.319 10 0 CDAERP CC[NH+](CC)[C@H](C)CNCc1c[nH+]ccc1N(C)C ZINC000355280435 359311624 /nfs/dbraw/zinc/31/16/24/359311624.db2.gz NQGVMRKUGVDPKQ-CYBMUJFWSA-N 2 0 264.417 1.968 10 0 CDAERP CNC(=O)c1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000335270228 359313798 /nfs/dbraw/zinc/31/37/98/359313798.db2.gz RJHMPEZWXIBVBA-IYBDPMFKSA-N 2 0 287.407 1.478 10 0 CDAERP CCC[C@@](C)([NH3+])C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000335147509 359448503 /nfs/dbraw/zinc/44/85/03/359448503.db2.gz CIQUISVUKPHWKE-ZIAGYGMSSA-N 2 0 253.390 1.106 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000297161526 200101968 /nfs/dbraw/zinc/10/19/68/200101968.db2.gz JJFCURRKRVTCBG-UHFFFAOYSA-N 2 0 260.341 1.291 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000422821628 359661229 /nfs/dbraw/zinc/66/12/29/359661229.db2.gz XNYFJZFPWAPIMR-OAHLLOKOSA-N 3 0 271.449 1.450 10 0 CDAERP CC[NH+](CC)CC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000297349444 200158337 /nfs/dbraw/zinc/15/83/37/200158337.db2.gz UOYNYQMNHGLDCS-UHFFFAOYSA-N 2 0 260.341 1.292 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCc1ccc(C)cc1 ZINC000422976925 359693885 /nfs/dbraw/zinc/69/38/85/359693885.db2.gz DYKWBXKHTSNPJM-OAHLLOKOSA-N 2 0 250.386 1.881 10 0 CDAERP C[C@H]([NH2+][C@H](CCO)C1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000423001936 359709958 /nfs/dbraw/zinc/70/99/58/359709958.db2.gz FIZKXQUAFHTCSW-AEGPPILISA-N 2 0 254.418 1.905 10 0 CDAERP CO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)C12CCC2 ZINC000423169722 359755229 /nfs/dbraw/zinc/75/52/29/359755229.db2.gz KIDVBNNCMHZROG-RFQIPJPRSA-N 2 0 252.402 1.922 10 0 CDAERP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CC[NH2+]1 ZINC000423384023 359785218 /nfs/dbraw/zinc/78/52/18/359785218.db2.gz PSNCTACPOYMDJS-UXXRCYHCSA-N 2 0 251.418 1.589 10 0 CDAERP CO[C@@H](C)[C@@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423521817 359840667 /nfs/dbraw/zinc/84/06/67/359840667.db2.gz UBBCNEREXBMENZ-DNDYEEKYSA-N 2 0 269.433 1.216 10 0 CDAERP O[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000643494176 360148131 /nfs/dbraw/zinc/14/81/31/360148131.db2.gz OJYNVACBZVFOPV-DLTWYDFYSA-N 2 0 288.391 1.745 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])o1 ZINC000335430718 283528972 /nfs/dbraw/zinc/52/89/72/283528972.db2.gz UKOOACOAMOEKCW-AWEZNQCLSA-N 2 0 285.347 1.437 10 0 CDAERP Cc1ncc(C[NH2+]CCCC[NH+]2CCN(C)CC2)o1 ZINC000628202311 360240868 /nfs/dbraw/zinc/24/08/68/360240868.db2.gz OQMJOYBBIFILEL-UHFFFAOYSA-N 2 0 266.389 1.100 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C3CC3)C[C@@H](C)C2)C1 ZINC000566456526 360290897 /nfs/dbraw/zinc/29/08/97/360290897.db2.gz NCVNTTUZGTYIRY-UONOGXRCSA-N 2 0 279.428 1.271 10 0 CDAERP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000643500343 360438246 /nfs/dbraw/zinc/43/82/46/360438246.db2.gz GPMQKWLJBYTUJA-KBMXLJTQSA-N 2 0 287.407 1.200 10 0 CDAERP O=S1(=O)CCC[C@H]([NH2+][C@@H]2CCN3CCCC[C@H]23)CC1 ZINC000634952474 360545988 /nfs/dbraw/zinc/54/59/88/360545988.db2.gz AANDATRSCQSTDU-BFHYXJOUSA-N 2 0 286.441 1.170 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CC[NH+](C)C ZINC000349144568 360741129 /nfs/dbraw/zinc/74/11/29/360741129.db2.gz PNFWCMSAAQZHQS-CHWSQXEVSA-N 2 0 255.406 1.317 10 0 CDAERP C[C@H](C(=O)NC1CCCC1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000335742322 360883588 /nfs/dbraw/zinc/88/35/88/360883588.db2.gz VOBLXVSJJTXOOT-CYBMUJFWSA-N 2 0 279.428 1.509 10 0 CDAERP C[C@@H]([NH3+])c1ccc(C(=O)N2CCC3(CC[NH2+]3)CC2)cc1 ZINC000335407003 296029368 /nfs/dbraw/zinc/02/93/68/296029368.db2.gz ODYJRGRYOSTKNS-GFCCVEGCSA-N 2 0 273.380 1.674 10 0 CDAERP Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339076054 361267740 /nfs/dbraw/zinc/26/77/40/361267740.db2.gz RLTJHPAKPHRROU-HUUCEWRRSA-N 2 0 276.428 1.796 10 0 CDAERP CN(C)c1ncccc1CNc1ncnc2[nH]ccc21 ZINC000339136582 361314681 /nfs/dbraw/zinc/31/46/81/361314681.db2.gz LLPDSMQXZZQGMS-UHFFFAOYSA-N 2 0 268.324 1.453 10 0 CDAERP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000636204359 363747250 /nfs/dbraw/zinc/74/72/50/363747250.db2.gz MDCKLWVUQGQYTM-HUUCEWRRSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000011954066 361390650 /nfs/dbraw/zinc/39/06/50/361390650.db2.gz KPQRRYHLFNCCSH-OLZOCXBDSA-N 2 0 269.433 1.741 10 0 CDAERP C[C@@H](C[NH3+])NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000417937722 361425298 /nfs/dbraw/zinc/42/52/98/361425298.db2.gz IRTWAGGMBFJONX-FPMFFAJLSA-N 2 0 276.384 1.078 10 0 CDAERP C[NH2+][C@H]1CCCN(C(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000335168646 283680142 /nfs/dbraw/zinc/68/01/42/283680142.db2.gz JCZBVBSZICZLMJ-NFOMZHRRSA-N 2 0 294.443 1.397 10 0 CDAERP Cc1ncc(CN2CCN(c3nccn3C)CC2)o1 ZINC000628352846 363852607 /nfs/dbraw/zinc/85/26/07/363852607.db2.gz WOMMEEQPZVEBGI-UHFFFAOYSA-N 2 0 261.329 1.039 10 0 CDAERP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccc(-n2cnnn2)cc1 ZINC000269051844 364130645 /nfs/dbraw/zinc/13/06/45/364130645.db2.gz VXNBKXHJMYDFBG-ZDUSSCGKSA-N 2 0 288.399 1.655 10 0 CDAERP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc(-n2cnnn2)cc1 ZINC000269051842 364130717 /nfs/dbraw/zinc/13/07/17/364130717.db2.gz VXNBKXHJMYDFBG-CYBMUJFWSA-N 2 0 288.399 1.655 10 0 CDAERP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000394179502 364366518 /nfs/dbraw/zinc/36/65/18/364366518.db2.gz OEKHJGAVQDIUNH-NEPJUHHUSA-N 2 0 289.370 1.209 10 0 CDAERP C[C@@H](C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)[NH+]1CCCCCC1 ZINC000249977715 364547374 /nfs/dbraw/zinc/54/73/74/364547374.db2.gz LDESYZPGJVVCHV-HZSPNIEDSA-N 2 0 267.417 1.365 10 0 CDAERP CC[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000113656268 364990350 /nfs/dbraw/zinc/99/03/50/364990350.db2.gz QJJVMYXLYGGNFO-UHFFFAOYSA-N 2 0 255.406 1.223 10 0 CDAERP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353528064 365279089 /nfs/dbraw/zinc/27/90/89/365279089.db2.gz FZTYEYREDQKFGM-VYDRJRHOSA-N 2 0 254.418 1.856 10 0 CDAERP C[C@@H](NC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)[C@H](C)[NH3+] ZINC000417327360 296084894 /nfs/dbraw/zinc/08/48/94/296084894.db2.gz LGXODURIBRXTIX-MROQNXINSA-N 2 0 270.421 1.142 10 0 CDAERP C[C@@H]1CN(C)C[C@H]1[NH2+][C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000414351004 241162327 /nfs/dbraw/zinc/16/23/27/241162327.db2.gz QZSBTKGEHKYUNV-XNRPHZJLSA-N 2 0 277.387 1.944 10 0 CDAERP COc1ccc(CC[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)cc1OC ZINC000400516094 366960053 /nfs/dbraw/zinc/96/00/53/366960053.db2.gz GIOVCIKNPYWSBN-GXTWGEPZSA-N 2 0 278.396 1.834 10 0 CDAERP Cc1ccncc1N1CC[NH+](C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414752669 241367508 /nfs/dbraw/zinc/36/75/08/241367508.db2.gz LBVMAHLFEDVLHQ-HOTGVXAUSA-N 2 0 288.439 1.900 10 0 CDAERP C[C@H]1CC[C@H](NC(=O)NCC[N@H+](C)C2CCCC2)C[NH2+]1 ZINC000626970061 367104447 /nfs/dbraw/zinc/10/44/47/367104447.db2.gz FHASDQRGTYZUCG-STQMWFEESA-N 2 0 282.432 1.301 10 0 CDAERP CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000626997910 367218861 /nfs/dbraw/zinc/21/88/61/367218861.db2.gz FYROULJOOMZQGI-MJBXVCDLSA-N 2 0 282.432 1.301 10 0 CDAERP C[C@]1(C[NH3+])CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000261673529 291379255 /nfs/dbraw/zinc/37/92/55/291379255.db2.gz AGYPCDOXBWKBMG-SFDCQRBFSA-N 2 0 265.401 1.104 10 0 CDAERP C[C@H]1CC[C@@H](NC(=O)NCC2([NH3+])CCCCC2)C[NH2+]1 ZINC000627068203 367337973 /nfs/dbraw/zinc/33/79/73/367337973.db2.gz KHIQEQRVUIIJBB-NWDGAFQWSA-N 2 0 268.405 1.088 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])C2 ZINC000627078748 367376967 /nfs/dbraw/zinc/37/69/67/367376967.db2.gz RKNZYPQWAJSZPD-XOUADPBQSA-N 2 0 294.443 1.145 10 0 CDAERP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CC[NH+]2CCC1CC2 ZINC000358158942 367476673 /nfs/dbraw/zinc/47/66/73/367476673.db2.gz ILWIADPRFVVTKP-CYBMUJFWSA-N 2 0 282.432 1.205 10 0 CDAERP C[C@H]1CC[C@H](NC(=O)NCc2ccc(C[NH3+])cc2F)C[NH2+]1 ZINC000627112528 367461867 /nfs/dbraw/zinc/46/18/67/367461867.db2.gz XUUNAQVNUZONOL-GWCFXTLKSA-N 2 0 294.374 1.224 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000627168618 367603975 /nfs/dbraw/zinc/60/39/75/367603975.db2.gz ZJYYKILQBMYJNY-MELADBBJSA-N 2 0 282.432 1.110 10 0 CDAERP C[NH+](C)C1(CNC(=O)NCCC[NH3+])CCCCCC1 ZINC000416844364 242182605 /nfs/dbraw/zinc/18/26/05/242182605.db2.gz BSRPUNWMGXKOOC-UHFFFAOYSA-N 2 0 270.421 1.289 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C[NH3+])CC(C)C ZINC000417012892 242269247 /nfs/dbraw/zinc/26/92/47/242269247.db2.gz XXFAPSVXVDMJBV-OLZOCXBDSA-N 2 0 272.437 1.389 10 0 CDAERP C[C@@H](NC(=O)NCC[N@H+](C)Cc1ccccc1)[C@H](C)[NH3+] ZINC000417232654 242371491 /nfs/dbraw/zinc/37/14/91/242371491.db2.gz QBDWUVZYQJPITF-QWHCGFSZSA-N 2 0 278.400 1.153 10 0 CDAERP CNC(=O)CN1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000282195581 367767531 /nfs/dbraw/zinc/76/75/31/367767531.db2.gz WUNPJJLRMQLNGH-LBPRGKRZSA-N 2 0 276.384 1.145 10 0 CDAERP CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627207915 367709836 /nfs/dbraw/zinc/70/98/36/367709836.db2.gz UMGMOBNDXPQXHA-FRRDWIJNSA-N 2 0 270.421 1.142 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000627238800 367802466 /nfs/dbraw/zinc/80/24/66/367802466.db2.gz OJRFCMGLBQALRN-GXTWGEPZSA-N 2 0 282.432 1.253 10 0 CDAERP C[N@H+](CCCNC(=O)C1=CC[C@H]([NH3+])C1)C1CCCCC1 ZINC000638069554 368005703 /nfs/dbraw/zinc/00/57/03/368005703.db2.gz LBNLVOTVMXZOEZ-AWEZNQCLSA-N 2 0 279.428 1.805 10 0 CDAERP C[C@@H]([NH3+])C1CCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000418452355 243096159 /nfs/dbraw/zinc/09/61/59/243096159.db2.gz NVDNAOWRIWEGTG-IUODEOHRSA-N 2 0 290.411 1.455 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000418471797 243117355 /nfs/dbraw/zinc/11/73/55/243117355.db2.gz WCVHNUSAJSYLLZ-XUJVJEKNSA-N 2 0 290.411 1.504 10 0 CDAERP CC[NH2+][C@H](C)CNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000418595889 243254554 /nfs/dbraw/zinc/25/45/54/243254554.db2.gz XKVFGRGKOBYJHG-CQSZACIVSA-N 2 0 296.459 1.502 10 0 CDAERP CCCN(CC[NH+](CC)CC)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000418566248 243219419 /nfs/dbraw/zinc/21/94/19/243219419.db2.gz ZMGVMDYSIUFMGP-LSDHHAIUSA-N 2 0 298.475 1.748 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638121895 368513244 /nfs/dbraw/zinc/51/32/44/368513244.db2.gz NKBYULCKHUCBCX-MRVWCRGKSA-N 2 0 263.385 1.119 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000414880967 368677202 /nfs/dbraw/zinc/67/72/02/368677202.db2.gz KMWDTZXOOUBRJS-VXGBXAGGSA-N 2 0 294.399 1.484 10 0 CDAERP CC[NH+](C/C=C/C[N@@H+](CC)[C@H]1CCOC1)[C@@H]1CCOC1 ZINC000361587973 368917534 /nfs/dbraw/zinc/91/75/34/368917534.db2.gz CWAYFIDRNLOALL-AXHPFZFWSA-N 2 0 282.428 1.764 10 0 CDAERP [NH3+]C1(CNc2cc[nH+]c3ccccc23)CCOCC1 ZINC000630525483 369138859 /nfs/dbraw/zinc/13/88/59/369138859.db2.gz GAPAXTSHOQYLPA-UHFFFAOYSA-N 2 0 257.337 1.577 10 0 CDAERP C[N@H+](CC[C@H]1CC[NH2+]C1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000420310958 244064131 /nfs/dbraw/zinc/06/41/31/244064131.db2.gz VMLXTGXMMWMBAM-GDBMZVCRSA-N 2 0 287.407 1.723 10 0 CDAERP Cc1nccn1CCC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000368314462 369431447 /nfs/dbraw/zinc/43/14/47/369431447.db2.gz GICNVFORGWLCDE-OAHLLOKOSA-N 2 0 262.401 1.609 10 0 CDAERP CC[C@]1(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)CCC[NH2+]1 ZINC000245572378 369991058 /nfs/dbraw/zinc/99/10/58/369991058.db2.gz YGZKWLSIFYZQNJ-UMVBOHGHSA-N 2 0 265.401 1.214 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)C[NH+]2CCCC2)CC[N@@H+]1C ZINC000630775610 369995339 /nfs/dbraw/zinc/99/53/39/369995339.db2.gz IZXLNGGVOFCXEK-QLFBSQMISA-N 2 0 281.444 1.565 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)[N@H+](C)C1CC1 ZINC000246544932 370079953 /nfs/dbraw/zinc/07/99/53/370079953.db2.gz SOZGEVACIHKALR-OSRDXIQISA-N 2 0 279.428 1.506 10 0 CDAERP Cc1nn(C)c2ncc(C[NH2+][C@@H]3CCc4nc[nH]c4C3)cc12 ZINC000370730940 370140033 /nfs/dbraw/zinc/14/00/33/370140033.db2.gz RPWXOYWJLFPSLH-GFCCVEGCSA-N 2 0 296.378 1.647 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CSc2ccccc2O1 ZINC000564988973 370318285 /nfs/dbraw/zinc/31/82/85/370318285.db2.gz HWAGWCPUFITEKT-STQMWFEESA-N 2 0 296.436 1.883 10 0 CDAERP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000564899968 370292867 /nfs/dbraw/zinc/29/28/67/370292867.db2.gz SGSGTQHRNPNHNQ-ARFHVFGLSA-N 2 0 293.455 1.981 10 0 CDAERP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000564899971 370293201 /nfs/dbraw/zinc/29/32/01/370293201.db2.gz SGSGTQHRNPNHNQ-HRCADAONSA-N 2 0 293.455 1.981 10 0 CDAERP COCCN1CC[C@H]([NH2+]C2CCC([NH+](C)C)CC2)C1 ZINC000353537271 370342207 /nfs/dbraw/zinc/34/22/07/370342207.db2.gz ZURFDXWTJYVPQG-SLTAFYQDSA-N 2 0 269.433 1.170 10 0 CDAERP COc1ccc(F)c(C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000292941152 370452979 /nfs/dbraw/zinc/45/29/79/370452979.db2.gz AFAZFPJKLYRHJM-ZDUSSCGKSA-N 2 0 295.402 1.560 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]([NH2+]CCc2cnc(C3CC3)nc2)C1 ZINC000565492843 370460849 /nfs/dbraw/zinc/46/08/49/370460849.db2.gz XTOXQLRXDRKNNF-KGLIPLIRSA-N 2 0 260.385 1.756 10 0 CDAERP CC[NH+](CC)CCC[N@@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000372804600 370528771 /nfs/dbraw/zinc/52/87/71/370528771.db2.gz FMVPNVUEDLXIHM-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@@H](C)NC(=O)[C@H](C)N1CCC2(CC[NH2+]2)CC1 ZINC000422639238 245148049 /nfs/dbraw/zinc/14/80/49/245148049.db2.gz SLDGOQPQCQYJJZ-NEPJUHHUSA-N 2 0 253.390 1.118 10 0 CDAERP C[C@H](C[NH2+][C@@H](C1CC1)[C@H]1CNCCO1)C[NH+]1CCCCC1 ZINC000422717812 245175371 /nfs/dbraw/zinc/17/53/71/245175371.db2.gz WIAIMHAAQNWAOX-OIISXLGYSA-N 2 0 295.471 1.465 10 0 CDAERP C(C1CC1)[NH+]1CCC(N[C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000422700450 245157659 /nfs/dbraw/zinc/15/76/59/245157659.db2.gz BWPYGJNOXIXANM-DLBZAZTESA-N 2 0 293.455 1.217 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2(CC(N)=O)CC2)[C@@H]2CCC[C@@H]21 ZINC000573473672 371555675 /nfs/dbraw/zinc/55/56/75/371555675.db2.gz CEQSBNVQVFHQGM-AVGNSLFASA-N 2 0 265.401 1.104 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NCCCC[NH+]2CCC(C)CC2)C1 ZINC000573826073 371672329 /nfs/dbraw/zinc/67/23/29/371672329.db2.gz XQENLSTVDDQHPQ-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N(C)CCC[NH3+] ZINC000577942003 372178590 /nfs/dbraw/zinc/17/85/90/372178590.db2.gz JRSQCMSLPXOWMV-BETUJISGSA-N 2 0 270.421 1.240 10 0 CDAERP C(C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)C[C@H]1CCO1 ZINC000638668177 372274417 /nfs/dbraw/zinc/27/44/17/372274417.db2.gz JKZWCONOKWKECS-ZBFHGGJFSA-N 2 0 282.428 1.646 10 0 CDAERP CN(C(=O)[C@H]1C[C@@H]([NH3+])C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000580834272 372709770 /nfs/dbraw/zinc/70/97/70/372709770.db2.gz YZBJOAJNKVITSC-XHSDSOJGSA-N 2 0 287.407 1.457 10 0 CDAERP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000580842986 372713334 /nfs/dbraw/zinc/71/33/34/372713334.db2.gz WGIGJUOTIOJYAQ-KGLIPLIRSA-N 2 0 281.444 1.517 10 0 CDAERP CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000353611783 372786567 /nfs/dbraw/zinc/78/65/67/372786567.db2.gz ZXXIILGXXPLYDD-YYIAUSFCSA-N 2 0 293.455 1.707 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CO[C@@H](C)C1 ZINC000581369229 372978195 /nfs/dbraw/zinc/97/81/95/372978195.db2.gz LVPSOPROJCDPCA-SMDDNHRTSA-N 2 0 272.352 1.843 10 0 CDAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000418621386 374455617 /nfs/dbraw/zinc/45/56/17/374455617.db2.gz SMKAXBFJUAFCOS-LJISPDSOSA-N 2 0 294.443 1.253 10 0 CDAERP C[C@H]1C[C@H](N(C)C(=O)c2ccc3c(c2)C[NH2+]C3)CC[N@@H+]1C ZINC000334270655 374690961 /nfs/dbraw/zinc/69/09/61/374690961.db2.gz SQCLUXXSVFDBRB-BLLLJJGKSA-N 2 0 287.407 1.845 10 0 CDAERP COc1cccc([C@H](C[NH2+][C@H]2CN(C)C[C@@H]2C)N(C)C)c1 ZINC000342954285 374773302 /nfs/dbraw/zinc/77/33/02/374773302.db2.gz XGQFCLZWZFTAJY-JQFCIGGWSA-N 2 0 291.439 1.838 10 0 CDAERP Cc1cc(C)n2c(CN3CC[C@@H](C[NH+](C)C)C3)cnc2n1 ZINC000125507073 374941531 /nfs/dbraw/zinc/94/15/31/374941531.db2.gz SBIQXNNMQBHYCZ-AWEZNQCLSA-N 2 0 287.411 1.730 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000416801916 375688656 /nfs/dbraw/zinc/68/86/56/375688656.db2.gz HGHTUGQJIXJJHL-SGMGOOAPSA-N 2 0 278.400 1.324 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000638975746 376321220 /nfs/dbraw/zinc/32/12/20/376321220.db2.gz OTWGSHWQGJHJKM-KGLIPLIRSA-N 2 0 281.444 1.707 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000638976058 376322664 /nfs/dbraw/zinc/32/26/64/376322664.db2.gz UBASFNXIPZJPQY-OLZOCXBDSA-N 2 0 267.417 1.447 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)CC2([NH3+])CCC2)CC1 ZINC000638976171 376323228 /nfs/dbraw/zinc/32/32/28/376323228.db2.gz UTWRREYAMCOKTO-UHFFFAOYSA-N 2 0 267.417 1.591 10 0 CDAERP CCC[NH+]1CCC([NH2+]CC[C@@H](O)C(F)F)CC1 ZINC000631695295 376471611 /nfs/dbraw/zinc/47/16/11/376471611.db2.gz ITQJVXHPBLDXSB-LLVKDONJSA-N 2 0 250.333 1.467 10 0 CDAERP NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631888212 376780922 /nfs/dbraw/zinc/78/09/22/376780922.db2.gz XJOARYOKSUDGPT-HUUCEWRRSA-N 2 0 273.380 1.359 10 0 CDAERP CC[NH+](CC)CCN1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000246938686 377018232 /nfs/dbraw/zinc/01/82/32/377018232.db2.gz QSLKXXQASWAQEX-YESZJQIVSA-N 2 0 297.487 1.902 10 0 CDAERP CCC[NH+](CCC)CCCNC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000417464887 377352974 /nfs/dbraw/zinc/35/29/74/377352974.db2.gz HBQWPGIUUPOIJS-CABCVRRESA-N 2 0 298.475 1.796 10 0 CDAERP C[NH+](C)CCCCNC(=O)C1C[NH+](C2CCCCC2)C1 ZINC000457562107 252500758 /nfs/dbraw/zinc/50/07/58/252500758.db2.gz UAFJEFJJTJEVRO-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+](C)C[C@H]2CC)CC[N@@H+]1C ZINC000632821763 377900216 /nfs/dbraw/zinc/90/02/16/377900216.db2.gz SJSCQXNRPQPJQC-QLFBSQMISA-N 2 0 281.444 1.659 10 0 CDAERP C[C@H](O)C[NH+]1CCC(C[NH2+]Cc2ccsc2)CC1 ZINC000069349951 378021824 /nfs/dbraw/zinc/02/18/24/378021824.db2.gz DPZWQQKJUIRLSO-LBPRGKRZSA-N 2 0 268.426 1.931 10 0 CDAERP CC[C@H](C(=O)N1CCC(CC)([NH+](C)C)CC1)[NH+](C)C ZINC000634123082 379062124 /nfs/dbraw/zinc/06/21/24/379062124.db2.gz WIMCZVIWIQBZOB-CYBMUJFWSA-N 2 0 269.433 1.659 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000634124455 379063748 /nfs/dbraw/zinc/06/37/48/379063748.db2.gz DVHQVXGXBDFCQJ-CQSZACIVSA-N 2 0 281.444 1.661 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CO[C@@H](C)C1 ZINC000657573106 412904142 /nfs/dbraw/zinc/90/41/42/412904142.db2.gz JSHODQDIQCONRP-MELADBBJSA-N 2 0 257.422 1.025 10 0 CDAERP CO[C@H](C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1)C1CCC1 ZINC000660075048 412906461 /nfs/dbraw/zinc/90/64/61/412906461.db2.gz VTNXQGQHGMKPGQ-DLBZAZTESA-N 2 0 295.471 1.513 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000418555288 284779925 /nfs/dbraw/zinc/77/99/25/284779925.db2.gz DKZFLOSVOLLICC-MJBXVCDLSA-N 2 0 282.432 1.110 10 0 CDAERP CC(C)[NH2+]C1CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655914811 412919500 /nfs/dbraw/zinc/91/95/00/412919500.db2.gz ICRIZFIDOPOUAX-SNVBAGLBSA-N 2 0 296.337 1.048 10 0 CDAERP CC(C)C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657593928 412923344 /nfs/dbraw/zinc/92/33/44/412923344.db2.gz DAPACCGGZHEASB-MRXNPFEDSA-N 2 0 262.397 1.999 10 0 CDAERP CC(C)(C[NH+]1CCCC1)NC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655931635 412940731 /nfs/dbraw/zinc/94/07/31/412940731.db2.gz MSSXUADHGYDBKZ-SECBINFHSA-N 2 0 296.337 1.050 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N[C@H](C)CC[NH3+])CC1 ZINC000417755201 285184146 /nfs/dbraw/zinc/18/41/46/285184146.db2.gz WZRQQTBHOJFTGK-GFCCVEGCSA-N 2 0 270.421 1.145 10 0 CDAERP CC(C)OCCC[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001663185315 1172654083 /nfs/dbraw/zinc/65/40/83/1172654083.db2.gz SAHAXIZFQLSFME-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)[NH2+]CC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000662450084 413031387 /nfs/dbraw/zinc/03/13/87/413031387.db2.gz FXOCQTXMZHMVLC-CHWSQXEVSA-N 2 0 255.406 1.364 10 0 CDAERP O[C@@H](C[NH2+]C[C@H]1CC=CCC1)C[NH+]1CCCCC1 ZINC000120034985 285305431 /nfs/dbraw/zinc/30/54/31/285305431.db2.gz DGYUWVADHIMFLU-GJZGRUSLSA-N 2 0 252.402 1.779 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000418562557 390160263 /nfs/dbraw/zinc/16/02/63/390160263.db2.gz GKSNUVKTUWFGKD-TUVASFSCSA-N 2 0 296.459 1.628 10 0 CDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000648164766 390860883 /nfs/dbraw/zinc/86/08/83/390860883.db2.gz VQPPQQXISAAXQK-YUELXQCFSA-N 2 0 275.396 1.360 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000237678347 390867171 /nfs/dbraw/zinc/86/71/71/390867171.db2.gz APHXIHNQPHDZOE-UGUYLWEFSA-N 2 0 293.455 1.898 10 0 CDAERP C[C@H](CC(=O)N[C@H]1CC[NH2+]C12CCCC2)[C@@H]1CCC[NH2+]C1 ZINC000648205939 390951749 /nfs/dbraw/zinc/95/17/49/390951749.db2.gz PIJNCMAYBTVHOS-KFWWJZLASA-N 2 0 293.455 1.803 10 0 CDAERP C[C@H]([NH2+]CCOCC[NH+](C)C)c1cc2n(n1)CCCC2 ZINC000647301019 390924816 /nfs/dbraw/zinc/92/48/16/390924816.db2.gz OGIBFVCUTZYLAA-ZDUSSCGKSA-N 2 0 280.416 1.448 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N2C[C@H](C)[NH2+]C[C@H]2C)CC1 ZINC000417751911 391027335 /nfs/dbraw/zinc/02/73/35/391027335.db2.gz PYASKEZVCAAVOO-UONOGXRCSA-N 2 0 296.459 1.500 10 0 CDAERP C[C@H]1C[C@@H](C[NH2+]CCc2cn3ccccc3n2)CC[NH2+]1 ZINC000415120399 391039076 /nfs/dbraw/zinc/03/90/76/391039076.db2.gz YCJIUDOOYWOCDN-KBPBESRZSA-N 2 0 272.396 1.855 10 0 CDAERP C[NH+](C)CCOc1cc(C[NH2+]CC2(F)CC2)ccn1 ZINC000526985903 391240540 /nfs/dbraw/zinc/24/05/40/391240540.db2.gz KCQGZLGQTSZMRV-UHFFFAOYSA-N 2 0 267.348 1.614 10 0 CDAERP C(C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)OCC1CC1 ZINC000647903803 391202245 /nfs/dbraw/zinc/20/22/45/391202245.db2.gz QFMBWGPISDGCRT-CABCVRRESA-N 2 0 252.402 1.877 10 0 CDAERP C[NH+](C)CCN(Cc1ccccc1)C(=O)NCCC[NH3+] ZINC000418312138 391298469 /nfs/dbraw/zinc/29/84/69/391298469.db2.gz NFRGUOJOPBBZBO-UHFFFAOYSA-N 2 0 278.400 1.109 10 0 CDAERP [NH3+]C1(CNC(=O)NC2CC[NH2+]CC2)CCCCCC1 ZINC000418311967 391298781 /nfs/dbraw/zinc/29/87/81/391298781.db2.gz SAEUXSHEGWZXHC-UHFFFAOYSA-N 2 0 268.405 1.089 10 0 CDAERP [NH3+]CCCNC(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000418314162 391301460 /nfs/dbraw/zinc/30/14/60/391301460.db2.gz RQVSYLYELSIGNC-UHFFFAOYSA-N 2 0 282.432 1.243 10 0 CDAERP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)NC1CC[NH2+]CC1 ZINC000335488969 391435134 /nfs/dbraw/zinc/43/51/34/391435134.db2.gz YZHWKJMBQYYNEL-HNNXBMFYSA-N 2 0 288.395 1.006 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000357266042 391507211 /nfs/dbraw/zinc/50/72/11/391507211.db2.gz UHAIDFKFGHEWQM-KBPBESRZSA-N 2 0 269.433 1.517 10 0 CDAERP C[C@H]1CCCCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000358389208 391550659 /nfs/dbraw/zinc/55/06/59/391550659.db2.gz VLWRJVAQOUPPHV-AWEZNQCLSA-N 2 0 293.455 1.994 10 0 CDAERP CC[C@H]1C[C@@H](C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CCO1 ZINC000426005322 391558666 /nfs/dbraw/zinc/55/86/66/391558666.db2.gz RWLGPKUNTGYGSC-XQLPTFJDSA-N 2 0 252.402 1.685 10 0 CDAERP C[C@@H]1CN(C(=O)C[C@@H]([NH3+])c2ccccc2)C[C@@]1(C)C[NH3+] ZINC000417827661 391492490 /nfs/dbraw/zinc/49/24/90/391492490.db2.gz DOUYDDNCBPDDFA-XNRPHZJLSA-N 2 0 275.396 1.520 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417806826 391493613 /nfs/dbraw/zinc/49/36/13/391493613.db2.gz BKGBDGCCZUWXNG-GASCZTMLSA-N 2 0 296.459 1.359 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000417533527 391640982 /nfs/dbraw/zinc/64/09/82/391640982.db2.gz MWFGUKGMZJJEPK-MGPQQGTHSA-N 2 0 282.432 1.301 10 0 CDAERP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCCC[NH3+] ZINC000417556378 391657105 /nfs/dbraw/zinc/65/71/05/391657105.db2.gz OGRKISGODWQIDE-ZDUSSCGKSA-N 2 0 270.421 1.289 10 0 CDAERP C[C@H](CNc1cncc(NC[C@H](C)[NH+](C)C)n1)[NH+](C)C ZINC000341775210 130010557 /nfs/dbraw/zinc/01/05/57/130010557.db2.gz IARXVDFDHBMISO-TXEJJXNPSA-N 2 0 280.420 1.201 10 0 CDAERP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@@H](C)[C@@H](C)[NH3+])c1ccco1 ZINC000418161414 391771494 /nfs/dbraw/zinc/77/14/94/391771494.db2.gz FGEZGNXQVNOPQR-QNWHQSFQSA-N 2 0 296.415 1.744 10 0 CDAERP CNC(=O)[C@@H]1CC[N@H+](Cc2ccc(-n3ccnc3)cc2C)C1 ZINC000420974635 391772202 /nfs/dbraw/zinc/77/22/02/391772202.db2.gz MRCWDLJDMPINNK-OAHLLOKOSA-N 2 0 298.390 1.749 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000418202841 391804811 /nfs/dbraw/zinc/80/48/11/391804811.db2.gz NVKKXCOHZOZGKX-KKUMJFAQSA-N 2 0 296.459 1.500 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000649322804 392020403 /nfs/dbraw/zinc/02/04/03/392020403.db2.gz NBTZCDOGKTYVHA-KGLIPLIRSA-N 2 0 279.428 1.365 10 0 CDAERP CCCCOC[C@H](O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000195179630 392054134 /nfs/dbraw/zinc/05/41/34/392054134.db2.gz JBDGGOFPLFVZGL-JKSUJKDBSA-N 2 0 286.460 1.970 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc(C[NH3+])cc2)C1 ZINC000646185830 392139029 /nfs/dbraw/zinc/13/90/29/392139029.db2.gz LDMWOYICZZBQMI-CQSZACIVSA-N 2 0 276.384 1.039 10 0 CDAERP Cc1cnn(CC[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000336808864 392097756 /nfs/dbraw/zinc/09/77/56/392097756.db2.gz SAAXNIRIJRQTRZ-UHFFFAOYSA-N 2 0 264.417 1.855 10 0 CDAERP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)[C@@H]1CC1(C)C ZINC000397714732 392187291 /nfs/dbraw/zinc/18/72/91/392187291.db2.gz VTMNFOQICJUPFG-MJBXVCDLSA-N 2 0 254.418 1.857 10 0 CDAERP C[C@@H]1CCNC[C@H]1[NH2+]C[C@H](CO)Cc1ccc(F)c(F)c1 ZINC000423070640 392314711 /nfs/dbraw/zinc/31/47/11/392314711.db2.gz GNSIGCAZQIKCAM-AXAPSJFSSA-N 2 0 298.377 1.703 10 0 CDAERP CCOC(=O)c1csc(CC[NH2+][C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000423072113 392316120 /nfs/dbraw/zinc/31/61/20/392316120.db2.gz PEFOCERBYLUFKW-MNOVXSKESA-N 2 0 297.424 1.579 10 0 CDAERP C[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1ccc2c(c1)OCCO2 ZINC000422761371 392258983 /nfs/dbraw/zinc/25/89/83/392258983.db2.gz LZSQPKATWUJKGZ-GHMZBOCLSA-N 2 0 262.353 1.716 10 0 CDAERP CC(C)C1CC([NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000488429709 392357396 /nfs/dbraw/zinc/35/73/96/392357396.db2.gz DBYZOQMJLZLLBM-WLYUNCDWSA-N 2 0 281.444 1.598 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000423117111 392358162 /nfs/dbraw/zinc/35/81/62/392358162.db2.gz TUAPDTPTOJHPQG-XGUBFFRZSA-N 2 0 272.433 1.924 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+])[NH+]1CCCC1 ZINC000573918503 392465445 /nfs/dbraw/zinc/46/54/45/392465445.db2.gz MLUOFTZAGLUICU-ILXRZTDVSA-N 2 0 281.444 1.885 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000645889323 392471862 /nfs/dbraw/zinc/47/18/62/392471862.db2.gz CUVWJPMHBRTKOR-KGLIPLIRSA-N 2 0 285.351 1.594 10 0 CDAERP C[C@H](NC[C@@H]([NH3+])c1ccccc1)c1c[nH+]ccc1N ZINC000423253564 392472476 /nfs/dbraw/zinc/47/24/76/392472476.db2.gz WEEOCHIBFPVXBE-XHDPSFHLSA-N 2 0 256.353 1.845 10 0 CDAERP C[NH2+]C[C@H](C)CN[C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000423275492 392483311 /nfs/dbraw/zinc/48/33/11/392483311.db2.gz NCUJCDCOGOJRDL-IAOVAPTHSA-N 2 0 291.439 1.933 10 0 CDAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)Cn1cncn1 ZINC000517017686 392813434 /nfs/dbraw/zinc/81/34/34/392813434.db2.gz ZGTXETDKTYBSNV-RDBSUJKOSA-N 2 0 265.405 1.567 10 0 CDAERP CCN1CC[NH+](CCCC[NH2+][C@H]2COC3(CCC3)C2)CC1 ZINC000657837402 413054525 /nfs/dbraw/zinc/05/45/25/413054525.db2.gz ZNVLCRXCHIUUOB-MRXNPFEDSA-N 2 0 295.471 1.705 10 0 CDAERP O[C@@H](C[NH2+][C@H]1CCCSCC1)C[NH+]1CCCC1 ZINC000657843397 413056793 /nfs/dbraw/zinc/05/67/93/413056793.db2.gz CGEDZOWQFAODSU-STQMWFEESA-N 2 0 258.431 1.318 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCN(C[C@H](O)CC(F)(F)F)C1 ZINC000189499952 393079572 /nfs/dbraw/zinc/07/95/72/393079572.db2.gz DMMIIQIAIWDKTD-VXGBXAGGSA-N 2 0 282.350 1.963 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)[C@@H]1C ZINC000495045296 393164188 /nfs/dbraw/zinc/16/41/88/393164188.db2.gz DORYKRAIWJYBMI-IIAWOOMASA-N 2 0 267.461 1.894 10 0 CDAERP C[NH+](C)C[C@@H](NC(=O)CC(C)(C)[NH3+])c1ccccc1 ZINC000084184092 483264586 /nfs/dbraw/zinc/26/45/86/483264586.db2.gz VOPTUFOCEJRVSD-CYBMUJFWSA-N 2 0 263.385 1.533 10 0 CDAERP CC[NH+]1CCN(CC(C)(C)[NH2+]CCSC)CC1 ZINC000451979367 393417913 /nfs/dbraw/zinc/41/79/13/393417913.db2.gz GQWLWJCLDHORRC-UHFFFAOYSA-N 2 0 259.463 1.355 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000645951182 393426961 /nfs/dbraw/zinc/42/69/61/393426961.db2.gz HNSHQPXEOGCCAZ-JHJVBQTASA-N 2 0 267.417 1.364 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]CCS(=O)(=O)c2ccccc2)C1 ZINC000656154652 413063257 /nfs/dbraw/zinc/06/32/57/413063257.db2.gz YZPKCMFLUSEWKT-OKILXGFUSA-N 2 0 296.436 1.390 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@@H](C)Cn2cncn2)CC1 ZINC000657871720 413064441 /nfs/dbraw/zinc/06/44/41/413064441.db2.gz LSOQNQIXZLIBIA-ZDUSSCGKSA-N 2 0 265.405 1.378 10 0 CDAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000186466256 140061994 /nfs/dbraw/zinc/06/19/94/140061994.db2.gz WTGHTJCRKLUJBP-DOMZBBRYSA-N 2 0 275.396 1.604 10 0 CDAERP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@@H]3CCC=CO3)C2)CC1 ZINC000193887071 140148042 /nfs/dbraw/zinc/14/80/42/140148042.db2.gz BUCQEKUZUYHFQS-HOTGVXAUSA-N 2 0 279.428 1.391 10 0 CDAERP [NH3+]CCN(CCc1ccccc1)C(=O)CC1CC[NH2+]CC1 ZINC000261709922 140379268 /nfs/dbraw/zinc/37/92/68/140379268.db2.gz KMFWPWFRLIKVQF-UHFFFAOYSA-N 2 0 289.423 1.406 10 0 CDAERP CC[C@H](C)[C@@H]([NH3+])C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261736706 140382228 /nfs/dbraw/zinc/38/22/28/140382228.db2.gz MJKAFUOGWSHXIC-SPWCGHHHSA-N 2 0 275.396 1.313 10 0 CDAERP O=C(c1cccc2c1C[NH2+]C2)N1CC[NH+]2CCC1CC2 ZINC000662530332 413100006 /nfs/dbraw/zinc/10/00/06/413100006.db2.gz LSZSIOQELGTGEM-UHFFFAOYSA-N 2 0 271.364 1.210 10 0 CDAERP Oc1cccc2c(N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)cc[nH+]c12 ZINC000656219212 413119026 /nfs/dbraw/zinc/11/90/26/413119026.db2.gz PESZBVHLIYMYGR-NWDGAFQWSA-N 2 0 285.347 1.196 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000662552212 413117786 /nfs/dbraw/zinc/11/77/86/413117786.db2.gz CNYTTXBYHIHBJJ-RWMBFGLXSA-N 2 0 255.406 1.112 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)C[C@H]([NH3+])C(C)C ZINC000136406961 483402229 /nfs/dbraw/zinc/40/22/29/483402229.db2.gz NPPHACWPAUBBNH-ZDUSSCGKSA-N 2 0 257.422 1.406 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662598806 413169808 /nfs/dbraw/zinc/16/98/08/413169808.db2.gz YQLFGDIKFOZFEU-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000388600297 397790725 /nfs/dbraw/zinc/79/07/25/397790725.db2.gz CYBRZRLQUGAQLT-KBPBESRZSA-N 2 0 267.417 1.495 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)C1CCC([NH3+])CC1 ZINC000041680229 397941219 /nfs/dbraw/zinc/94/12/19/397941219.db2.gz CVELZDIRHQJDKB-UHFFFAOYSA-N 2 0 255.406 1.304 10 0 CDAERP Cc1nc(NCCC[N@@H+](C)CC(C)C)nc(N(C)C)n1 ZINC000651364173 397951947 /nfs/dbraw/zinc/95/19/47/397951947.db2.gz VUHWDHGWJSYASI-UHFFFAOYSA-N 2 0 280.420 1.058 10 0 CDAERP c1nncn1CC1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000649785649 397955380 /nfs/dbraw/zinc/95/53/80/397955380.db2.gz NWFYMENVOVEXRJ-UHFFFAOYSA-N 2 0 291.443 1.866 10 0 CDAERP CC[C@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)[C@@H](O)C(F)F ZINC000651399645 397986380 /nfs/dbraw/zinc/98/63/80/397986380.db2.gz XHCGQEOLSHLZKV-ADEWGFFLSA-N 2 0 264.360 1.711 10 0 CDAERP COC[C@H](CC[NH2+][C@H]1CN(C2CC2)C[C@H]1C)OC ZINC000658081945 413182499 /nfs/dbraw/zinc/18/24/99/413182499.db2.gz FCEAISMNOZOQIU-XBFCOCLRSA-N 2 0 256.390 1.110 10 0 CDAERP CCC(CC)(C[NH3+])C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000094459057 147089249 /nfs/dbraw/zinc/08/92/49/147089249.db2.gz PDIHHJRLHUPBNO-LBPRGKRZSA-N 2 0 253.390 1.058 10 0 CDAERP COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)nc1 ZINC000094763052 147094630 /nfs/dbraw/zinc/09/46/30/147094630.db2.gz UWJYHZAPZGSVAW-LBPRGKRZSA-N 2 0 277.368 1.429 10 0 CDAERP CCc1nccn1[C@H]1CCC[N@H+](C[C@H](O)COC(C)C)C1 ZINC000105904129 147236870 /nfs/dbraw/zinc/23/68/70/147236870.db2.gz KTYLXDOVYFOMQS-GJZGRUSLSA-N 2 0 295.427 1.868 10 0 CDAERP Cc1nccn1C[C@@H]1CCC[N@@H+]1[C@@H]1CCCC[C@@H]1O ZINC000119425322 147318495 /nfs/dbraw/zinc/31/84/95/147318495.db2.gz RLOWEBBVFGZFSJ-ZNMIVQPWSA-N 2 0 263.385 1.959 10 0 CDAERP C[C@@]1(C(=O)NC2CC[NH+](CC3CC3)CC2)CCCC[NH2+]1 ZINC000180989739 148172792 /nfs/dbraw/zinc/17/27/92/148172792.db2.gz XAQGSBZRLKNTSF-INIZCTEOSA-N 2 0 279.428 1.509 10 0 CDAERP O[C@H](C[NH2+]C[C@@H]1CCSC1)C[NH+]1CCCCC1 ZINC000310380932 149193473 /nfs/dbraw/zinc/19/34/73/149193473.db2.gz JEMDIQHFVIRMJB-QWHCGFSZSA-N 2 0 258.431 1.176 10 0 CDAERP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@H](O)C3CCCCC3)C2)C1 ZINC000311878081 149221604 /nfs/dbraw/zinc/22/16/04/149221604.db2.gz XVMGOTVEUHVQOR-JKSUJKDBSA-N 2 0 266.429 1.955 10 0 CDAERP CC[C@H](Cn1cncn1)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658353721 413232900 /nfs/dbraw/zinc/23/29/00/413232900.db2.gz QHNKGZOLANFVKP-MRXNPFEDSA-N 2 0 291.443 1.768 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000335293844 150507456 /nfs/dbraw/zinc/50/74/56/150507456.db2.gz CNNIIRZMLPWBEX-CHWSQXEVSA-N 2 0 282.432 1.016 10 0 CDAERP CC[N@@H+]1C[C@H](C)N(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000336100168 151267887 /nfs/dbraw/zinc/26/78/87/151267887.db2.gz CNZJSDKWKGRTBH-KBPBESRZSA-N 2 0 281.444 1.659 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+]C2CCC([NH3+])CC2)C12CCOCC2 ZINC000333857888 286382705 /nfs/dbraw/zinc/38/27/05/286382705.db2.gz RJBWYTIKIMEKGP-PFSRBDOWSA-N 2 0 282.428 1.820 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCOCC(F)F ZINC000349192923 154065371 /nfs/dbraw/zinc/06/53/71/154065371.db2.gz SIIDBGXDMNYAGG-UHFFFAOYSA-N 2 0 296.321 1.947 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)CCOC(C)C)[C@H](C)C1 ZINC000349859200 154244426 /nfs/dbraw/zinc/24/44/26/154244426.db2.gz ZBSFXDUVASTEDR-OAGGEKHMSA-N 2 0 286.460 1.825 10 0 CDAERP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C1([NH2+]C2CC2)CCC1 ZINC000662701619 413342883 /nfs/dbraw/zinc/34/28/83/413342883.db2.gz BUMWBMZILDNKJF-GFCCVEGCSA-N 2 0 263.385 1.014 10 0 CDAERP CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)[NH2+]C(C)(C)CC)C1 ZINC000355650992 157166316 /nfs/dbraw/zinc/16/63/16/157166316.db2.gz IASDHSWPLKSBJT-STQMWFEESA-N 2 0 269.433 1.611 10 0 CDAERP C[NH+]1CCCC[C@H]1CCC(=O)NCC1=CC[N@H+](C)CC1 ZINC000355765702 157223394 /nfs/dbraw/zinc/22/33/94/157223394.db2.gz JRZNRWHYFGRKTK-HNNXBMFYSA-N 2 0 279.428 1.629 10 0 CDAERP CC[NH2+][C@@H](C)CNC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000358913825 158069954 /nfs/dbraw/zinc/06/99/54/158069954.db2.gz JFQOFCQHHWCOTF-LBPRGKRZSA-N 2 0 275.396 1.103 10 0 CDAERP CCCC[N@H+](C)CC1CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC000362502546 159162855 /nfs/dbraw/zinc/16/28/55/159162855.db2.gz LRFKCKHATHSQQV-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000235132965 286832898 /nfs/dbraw/zinc/83/28/98/286832898.db2.gz LRXRYKDAMIJGST-KBPBESRZSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H](CCCCO)[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000453297596 298394491 /nfs/dbraw/zinc/39/44/91/298394491.db2.gz ZYTGXKJFNVLSKE-TUVASFSCSA-N 2 0 254.418 2.000 10 0 CDAERP [NH3+]C1(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)CC2(CCC2)C1 ZINC000662761982 413451394 /nfs/dbraw/zinc/45/13/94/413451394.db2.gz REUVHJXRFSIUHT-KGLIPLIRSA-N 2 0 291.439 1.639 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000417704713 287012191 /nfs/dbraw/zinc/01/21/91/287012191.db2.gz RDBWCVHATBZFOO-YNEHKIRRSA-N 2 0 270.421 1.286 10 0 CDAERP C[NH+](C)[C@@H](CC[NH3+])COc1ccc2ncccc2c1 ZINC000020401645 171182424 /nfs/dbraw/zinc/18/24/24/171182424.db2.gz UESBJDLKLBLUBB-ZDUSSCGKSA-N 2 0 259.353 1.893 10 0 CDAERP CCC[NH+]1CCN([C@H](C[NH3+])c2ccsc2)CC1 ZINC000022167238 171366159 /nfs/dbraw/zinc/36/61/59/171366159.db2.gz BILHVDLLWCJHCV-CYBMUJFWSA-N 2 0 253.415 1.776 10 0 CDAERP CN(CC(=O)Nc1ccc(C[NH3+])cc1)C1CC[NH+](C)CC1 ZINC000022223424 171379089 /nfs/dbraw/zinc/37/90/89/171379089.db2.gz DHBWMXLVCSHFDD-UHFFFAOYSA-N 2 0 290.411 1.110 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@H]([NH3+])CC(F)F ZINC000653214273 412141204 /nfs/dbraw/zinc/14/12/04/412141204.db2.gz NPNBRJYRZIUQBC-LLVKDONJSA-N 2 0 271.311 1.005 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000653166763 412102766 /nfs/dbraw/zinc/10/27/66/412102766.db2.gz VCBXHUSWSQJAGI-CQSZACIVSA-N 2 0 287.407 1.592 10 0 CDAERP CC(C)C[C@H]([NH3+])C(=O)NCCC[N@H+](C)CC(C)C ZINC000653176059 412116705 /nfs/dbraw/zinc/11/67/05/412116705.db2.gz JEPPIHPSUSZFRG-ZDUSSCGKSA-N 2 0 257.422 1.454 10 0 CDAERP CC[C@@]1(C(=O)NCCC[N@H+](C)CC(C)C)CCC[NH2+]1 ZINC000653176524 412117543 /nfs/dbraw/zinc/11/75/43/412117543.db2.gz XTMUUMLPEJDBQX-HNNXBMFYSA-N 2 0 269.433 1.613 10 0 CDAERP O=C(NCCC[C@H]1CCC[NH2+]1)C1([NH2+]C2CC2)CCC1 ZINC000662786387 413495728 /nfs/dbraw/zinc/49/57/28/413495728.db2.gz WCZMNJKAIOPZMO-GFCCVEGCSA-N 2 0 265.401 1.310 10 0 CDAERP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662794148 413512528 /nfs/dbraw/zinc/51/25/28/413512528.db2.gz OPEQRZVQFUMLKN-GHMZBOCLSA-N 2 0 294.399 1.281 10 0 CDAERP COC[C@@H](C)C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656786137 413666236 /nfs/dbraw/zinc/66/62/36/413666236.db2.gz LDIUYXIRXJIEJK-ZFWWWQNUSA-N 2 0 254.418 1.981 10 0 CDAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C2(C[NH3+])CCCC2)CCO1 ZINC000662974026 413764682 /nfs/dbraw/zinc/76/46/82/413764682.db2.gz YUIVBLMNWPBKMV-CQSZACIVSA-N 2 0 297.443 1.075 10 0 CDAERP [NH3+]CC12CC(C1)CN2C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000659487035 413879318 /nfs/dbraw/zinc/87/93/18/413879318.db2.gz ODXQGYPFLIAVIW-CXOJTPOUSA-N 2 0 292.427 1.136 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000659442588 413824306 /nfs/dbraw/zinc/82/43/06/413824306.db2.gz PGFCUICXPKNEHM-RBSFLKMASA-N 2 0 298.475 1.779 10 0 CDAERP O=C(NCCC[NH+]1CCCCC1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407373853 413945477 /nfs/dbraw/zinc/94/54/77/413945477.db2.gz NHKMZMWLGAGDNV-HUUCEWRRSA-N 2 0 279.428 1.509 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)[C@@H]2C[C@@H]2C)CC1 ZINC000665289637 414025398 /nfs/dbraw/zinc/02/53/98/414025398.db2.gz SYRCRGPUALTRBQ-GZBFAFLISA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)(C)[C@H]1CC[C@H]1[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665292666 414034808 /nfs/dbraw/zinc/03/48/08/414034808.db2.gz GWQUQFLVHZCXPA-WDEREUQCSA-N 2 0 264.373 1.555 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cnc(C3CC3)nc2)C1 ZINC000655824945 414230984 /nfs/dbraw/zinc/23/09/84/414230984.db2.gz RJVXMESMAONURN-VDISTLRHSA-N 2 0 260.385 1.784 10 0 CDAERP CCN(C)c1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cn1 ZINC000655825998 414231097 /nfs/dbraw/zinc/23/10/97/414231097.db2.gz BJJKBEBVPZUZCN-GASCZTMLSA-N 2 0 276.428 1.968 10 0 CDAERP CO[C@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)[C@@H]1CCOC1 ZINC000659842898 414169308 /nfs/dbraw/zinc/16/93/08/414169308.db2.gz HKMKLBWCDHDOTN-IAGOWNOFSA-N 2 0 296.455 1.846 10 0 CDAERP CN1CCC[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657325213 414174210 /nfs/dbraw/zinc/17/42/10/414174210.db2.gz LFNYRAYTZYOMDH-ZDUSSCGKSA-N 2 0 271.368 1.451 10 0 CDAERP COc1ccc2c(c1)C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)CO2 ZINC000655804083 414199289 /nfs/dbraw/zinc/19/92/89/414199289.db2.gz OMNXCRUJHJCTIZ-AEGPPILISA-N 2 0 290.407 1.929 10 0 CDAERP C[C@@](O)(C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)C1CC1 ZINC000657373125 414250413 /nfs/dbraw/zinc/25/04/13/414250413.db2.gz VBYPHRLMXWAMFY-OAHLLOKOSA-N 2 0 272.352 1.518 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CO[C@@H](CC)C1 ZINC000657389808 414273057 /nfs/dbraw/zinc/27/30/57/414273057.db2.gz OKTDZMLUHZQKCP-MELADBBJSA-N 2 0 258.406 1.500 10 0 CDAERP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@]2(C1)CCCOC2 ZINC000660497694 414281888 /nfs/dbraw/zinc/28/18/88/414281888.db2.gz ZXYPIOUDSUMIQH-HUUCEWRRSA-N 2 0 270.417 1.190 10 0 CDAERP CC[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CO1 ZINC000657398835 414285361 /nfs/dbraw/zinc/28/53/61/414285361.db2.gz CTQTUTCFHBUARP-ZJIFWQFVSA-N 2 0 282.428 1.521 10 0 CDAERP COC[C@H](C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)OC ZINC000659944552 414285966 /nfs/dbraw/zinc/28/59/66/414285966.db2.gz MHOOEZMHURCQOF-GJZGRUSLSA-N 2 0 270.417 1.598 10 0 CDAERP C(N[C@H]1CCC[NH2+]CC1)c1nc2c(s1)C[NH2+]CC2 ZINC000663495660 414292794 /nfs/dbraw/zinc/29/27/94/414292794.db2.gz AICJXSPFTOBVHC-JTQLQIEISA-N 2 0 266.414 1.021 10 0 CDAERP CC[C@@H]([NH2+]Cc1cnc2n1CCC2)[C@@H](O)C(F)F ZINC000657477882 414375527 /nfs/dbraw/zinc/37/55/27/414375527.db2.gz CWWKFCKJIIAKRW-MWLCHTKSSA-N 2 0 259.300 1.324 10 0 CDAERP CC[C@@H](C)[NH2+]CC(=O)N1CCC([NH+](CC)CC)CC1 ZINC000037827378 173784514 /nfs/dbraw/zinc/78/45/14/173784514.db2.gz WCZMUWQCDOEOCF-CYBMUJFWSA-N 2 0 269.433 1.707 10 0 CDAERP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000662255505 414590526 /nfs/dbraw/zinc/59/05/26/414590526.db2.gz CJWKVOHZPSARGB-MJBXVCDLSA-N 2 0 282.453 1.867 10 0 CDAERP CC[C@H](c1ccccc1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038030940 174022891 /nfs/dbraw/zinc/02/28/91/174022891.db2.gz NBWLNYUDCJSEBT-OAHLLOKOSA-N 2 0 275.396 1.501 10 0 CDAERP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000263116842 287288377 /nfs/dbraw/zinc/28/83/77/287288377.db2.gz ARESTBLURMRBKL-OHFALNGGSA-N 2 0 295.471 1.199 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]([NH3+])Cc2ccccc2)C1 ZINC000040503537 174300847 /nfs/dbraw/zinc/30/08/47/174300847.db2.gz AMDCGTQTJYLMHO-HUUCEWRRSA-N 2 0 275.396 1.157 10 0 CDAERP C[C@H]1CCCC[C@H]1[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508071 174302761 /nfs/dbraw/zinc/30/27/61/174302761.db2.gz CRYJNJSOYDKNGJ-RRFJBIMHSA-N 2 0 279.428 1.461 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1COc2ccccc2O1 ZINC000040750196 174395157 /nfs/dbraw/zinc/39/51/57/174395157.db2.gz VGVIBCHXMBVENJ-WTUNAVPPSA-N 2 0 274.364 1.781 10 0 CDAERP CC[NH+](CC)CCOc1cc2c(cc1CC[NH3+])OCO2 ZINC000042877464 174900663 /nfs/dbraw/zinc/90/06/63/174900663.db2.gz IHAOTXYBZDBPRD-UHFFFAOYSA-N 2 0 280.368 1.637 10 0 CDAERP C[C@@H]1CCC[C@@](CN[C@@H]2CCC[NH2+]C2)([NH+](C)C)C1 ZINC000043327462 175008772 /nfs/dbraw/zinc/00/87/72/175008772.db2.gz XIPSPLOOXOPAPG-RBSFLKMASA-N 2 0 253.434 1.839 10 0 CDAERP C[C@@H]([NH3+])[C@H](c1ccco1)N1CC[NH+](CC2CC2)CC1 ZINC000043335798 175011401 /nfs/dbraw/zinc/01/14/01/175011401.db2.gz CZFUFGWRDRXNQK-IUODEOHRSA-N 2 0 263.385 1.696 10 0 CDAERP CC[NH+]1CCC(N(C)[C@H](c2ccccn2)[C@@H](C)[NH3+])CC1 ZINC000043341060 175015097 /nfs/dbraw/zinc/01/50/97/175015097.db2.gz NURLIPNGCRUGNF-CJNGLKHVSA-N 2 0 276.428 1.886 10 0 CDAERP C[NH+](C)C1CC[NH+](CCC[C@H]2CCC[NH2+]C2)CC1 ZINC000043591909 175074206 /nfs/dbraw/zinc/07/42/06/175074206.db2.gz VIJIFBSOOSCUHB-CQSZACIVSA-N 3 0 253.434 1.792 10 0 CDAERP CCC[NH+]1CCN(CCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000043601161 175077671 /nfs/dbraw/zinc/07/76/71/175077671.db2.gz WLXVWAYJONIPSM-HNNXBMFYSA-N 2 0 253.434 1.794 10 0 CDAERP C[NH2+][C@H]1c2ccccc2OC[C@@H]1N1CCC[N@H+](C)CC1 ZINC000043818229 175113303 /nfs/dbraw/zinc/11/33/03/175113303.db2.gz ARNAYQPOAPWWRD-HOCLYGCPSA-N 2 0 275.396 1.346 10 0 CDAERP CC[NH2+][C@@H]1CCCC[C@@H]1N1CCC([NH+](C)C)CC1 ZINC000043897473 175120461 /nfs/dbraw/zinc/12/04/61/175120461.db2.gz SDDANGIKWLCNCE-CABCVRRESA-N 2 0 253.434 1.933 10 0 CDAERP CC[NH2+][C@H]1CCOC[C@@H]1N1CCC(C[NH+](C)C)CC1 ZINC000043970745 175131717 /nfs/dbraw/zinc/13/17/17/175131717.db2.gz DYZKDLNBHVJXBP-GJZGRUSLSA-N 2 0 269.433 1.027 10 0 CDAERP CC[NH2+][C@@H]1CCC[C@H]1N(CCOC)[C@@H](C)COC ZINC000043975814 175133066 /nfs/dbraw/zinc/13/30/66/175133066.db2.gz PGJFJJIPGXJVNJ-BFHYXJOUSA-N 2 0 258.406 1.500 10 0 CDAERP CC[NH+]1CCC(C[NH2+]CCn2ccnc2C)CC1 ZINC000044518439 175191184 /nfs/dbraw/zinc/19/11/84/175191184.db2.gz GQBCEARYFFUPDU-UHFFFAOYSA-N 2 0 250.390 1.513 10 0 CDAERP C[C@@H]([NH2+]C[C@H]1CCCCN1C)C1CC[NH+](C)CC1 ZINC000044561412 175205281 /nfs/dbraw/zinc/20/52/81/175205281.db2.gz QIUKFWQISJNDHX-UKRRQHHQSA-N 2 0 253.434 1.791 10 0 CDAERP CC[C@@H]1CCN(C[C@@H]2CC[N@@H+](C(C)C)C2)CC[NH2+]1 ZINC000045136742 175313756 /nfs/dbraw/zinc/31/37/56/175313756.db2.gz JPMXTMPYMYVFOM-LSDHHAIUSA-N 2 0 253.434 1.791 10 0 CDAERP CCCC[N@H+](C)CCC[C@](C)([NH2+]CCC)C(N)=O ZINC000045368393 175363467 /nfs/dbraw/zinc/36/34/67/175363467.db2.gz TVACMLXAHAPRLP-AWEZNQCLSA-N 2 0 257.422 1.742 10 0 CDAERP CC[NH2+][C@](C)(CCC[N@@H+]1CCCC[C@@H]1C)C(N)=O ZINC000045376153 175366584 /nfs/dbraw/zinc/36/65/84/175366584.db2.gz FCZITUBAIXSJCH-GXTWGEPZSA-N 2 0 255.406 1.495 10 0 CDAERP CC[NH2+][C@@](C)(CCC[N@H+]1[C@H](C)CCC[C@@H]1C)C(N)=O ZINC000045379727 175369070 /nfs/dbraw/zinc/36/90/70/175369070.db2.gz IBJWZMPAIRWKAL-GUTXKFCHSA-N 2 0 269.433 1.883 10 0 CDAERP COC1CC[NH+](CCCC[C@@](C)([NH2+]C(C)C)C(N)=O)CC1 ZINC000045389055 175374019 /nfs/dbraw/zinc/37/40/19/175374019.db2.gz JWKRUHLHSNBTRC-MRXNPFEDSA-N 2 0 299.459 1.510 10 0 CDAERP CC[NH2+][C@@](C)(CCC[N@H+](CC)C1CCCC1)C(N)=O ZINC000045390630 175374550 /nfs/dbraw/zinc/37/45/50/175374550.db2.gz FJNLAWQIMJKHEW-HNNXBMFYSA-N 2 0 269.433 1.885 10 0 CDAERP CCC[NH2+][C@@](C)(CCC[N@H+](C)[C@@H](C)C(C)C)C(N)=O ZINC000045392169 175375600 /nfs/dbraw/zinc/37/56/00/175375600.db2.gz WIRCIPVUIVZJAL-ZFWWWQNUSA-N 2 0 271.449 1.987 10 0 CDAERP C[N@H+](CCC[C@](C)([NH2+]C1CC1)C(N)=O)CC1CC1 ZINC000045419984 175377786 /nfs/dbraw/zinc/37/77/86/175377786.db2.gz NMTSNPYULUZJDE-AWEZNQCLSA-N 2 0 253.390 1.104 10 0 CDAERP CC[NH2+][C@@](C)(CO)CN1CCC([NH+]2CCCCC2)CC1 ZINC000070513784 175962291 /nfs/dbraw/zinc/96/22/91/175962291.db2.gz BQYXBEBHGZMHCT-MRXNPFEDSA-N 2 0 283.460 1.297 10 0 CDAERP CCC[NH2+][C@@](CO)(CN(C)C1CC[NH+](CC)CC1)C1CC1 ZINC000070514508 175963035 /nfs/dbraw/zinc/96/30/35/175963035.db2.gz KKHSHRGXEIZTFS-QGZVFWFLSA-N 2 0 297.487 1.543 10 0 CDAERP CCC[NH2+][C@H]1CCN(CCC[NH+]2CCCC2)C1=O ZINC000071031420 176022404 /nfs/dbraw/zinc/02/24/04/176022404.db2.gz NPJZASDFZZAHKH-ZDUSSCGKSA-N 2 0 253.390 1.073 10 0 CDAERP CC(C)[NH2+][C@@H]1CCN(CC(C)(C)C[NH+](C)C)C1=O ZINC000071036125 176025635 /nfs/dbraw/zinc/02/56/35/176025635.db2.gz POASENMJLNPNFJ-GFCCVEGCSA-N 2 0 255.406 1.173 10 0 CDAERP CC[NH2+][C@@H]1CCCN([C@@H](C)C[NH+]2CCCCC2)C1=O ZINC000071037386 176025888 /nfs/dbraw/zinc/02/58/88/176025888.db2.gz XDGBIBKEEPMXSE-UONOGXRCSA-N 2 0 267.417 1.461 10 0 CDAERP CCC[NH2+][C@H]1CCCN(CC[NH+]2CCCC2)C1=O ZINC000071042510 176028693 /nfs/dbraw/zinc/02/86/93/176028693.db2.gz ZJYOBTWWUWMGOZ-ZDUSSCGKSA-N 2 0 253.390 1.073 10 0 CDAERP CC[C@H](c1ccc(OC)cc1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071148872 176044623 /nfs/dbraw/zinc/04/46/23/176044623.db2.gz YAAGDMXGYMTBPB-QGZVFWFLSA-N 2 0 291.439 1.983 10 0 CDAERP CC[C@]1(C(=O)N(C)C[C@H]2CC[N@H+](C)C2)CCC[NH2+]C1 ZINC000071189601 176065251 /nfs/dbraw/zinc/06/52/51/176065251.db2.gz MGPHVXVMAAQHII-ZFWWWQNUSA-N 2 0 267.417 1.176 10 0 CDAERP C[N@H+](C[C@@H]1CC[NH+](C)C1)[C@@H]1Cc2ccccc2[C@@H]1O ZINC000071190650 176068652 /nfs/dbraw/zinc/06/86/52/176068652.db2.gz WPFCQGMFEDTZIV-WQVCFCJDSA-N 2 0 260.381 1.528 10 0 CDAERP CC[NH2+]Cc1cccnc1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191646 176069374 /nfs/dbraw/zinc/06/93/74/176069374.db2.gz HFTBZOIQXVAAIW-CYBMUJFWSA-N 2 0 262.401 1.579 10 0 CDAERP C[C@@H](CCC[NH2+]C1CC1)[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191842 176071235 /nfs/dbraw/zinc/07/12/35/176071235.db2.gz JASUDANFTWBYSX-UONOGXRCSA-N 3 0 253.434 1.791 10 0 CDAERP C[NH2+][C@H]1CCN(CCC[N@H+](C)Cc2ccccc2)C1 ZINC000071198153 176077195 /nfs/dbraw/zinc/07/71/95/176077195.db2.gz FYQSCXUVTIFPLA-INIZCTEOSA-N 2 0 261.413 1.802 10 0 CDAERP CC(C)[N@H+](CCCO)Cc1ccc(F)cc1C[NH3+] ZINC000071263462 176096403 /nfs/dbraw/zinc/09/64/03/176096403.db2.gz ATYIGQPTNFVHOR-UHFFFAOYSA-N 2 0 254.349 1.877 10 0 CDAERP NC(=[NH2+])c1cc(F)ccc1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000071268055 176101864 /nfs/dbraw/zinc/10/18/64/176101864.db2.gz JJPLLINFKRZMIH-AWEZNQCLSA-N 2 0 290.386 1.780 10 0 CDAERP CC[C@@H]1CC[C@H](C[NH3+])[C@H](N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000071380450 176144775 /nfs/dbraw/zinc/14/47/75/176144775.db2.gz CLBMEKOCIZZHSH-BZUAXINKSA-N 2 0 297.487 1.529 10 0 CDAERP C[NH2+][C@H]1CCCCC[C@@H]1CN1CC[NH+](CC(C)(C)O)CC1 ZINC000071381769 176145397 /nfs/dbraw/zinc/14/53/97/176145397.db2.gz ZMJMGWIVVOQLSH-CVEARBPZSA-N 2 0 297.487 1.543 10 0 CDAERP C[C@H]([NH3+])[C@H]1CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000417943147 298998635 /nfs/dbraw/zinc/99/86/35/298998635.db2.gz UNAYWLZLCVRKQF-LQULJDIASA-N 2 0 296.459 1.486 10 0 CDAERP COCC[NH2+]C[C@@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001666629448 1173164280 /nfs/dbraw/zinc/16/42/80/1173164280.db2.gz IFFDTSAQQKXHAF-CABCVRRESA-N 2 0 299.459 1.239 10 0 CDAERP CC[NH+]1CC2(C1)CCN(C(=O)C[N@H+](C)C(C)C)CC2 ZINC001666838870 1173189510 /nfs/dbraw/zinc/18/95/10/1173189510.db2.gz WJOCWDGRBPVNAP-UHFFFAOYSA-N 2 0 267.417 1.271 10 0 CDAERP CC(C)C(=O)N1CCC([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000093214262 263283313 /nfs/dbraw/zinc/28/33/13/263283313.db2.gz QMENPIAMYNTRMG-GXTWGEPZSA-N 2 0 267.417 1.493 10 0 CDAERP CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001666914887 1173207353 /nfs/dbraw/zinc/20/73/53/1173207353.db2.gz XVYRPWJUTHMGLT-KBPBESRZSA-N 2 0 269.433 1.707 10 0 CDAERP CC[NH2+]CC1CC[NH+](CCO[C@H]2CC2(F)F)CC1 ZINC000662244497 423781518 /nfs/dbraw/zinc/78/15/18/423781518.db2.gz HDHMVVQPKQKWPI-LBPRGKRZSA-N 2 0 262.344 1.732 10 0 CDAERP Nc1nc(N[C@@H]2CC[N@@H+](C3CC3)C2)c2c([nH+]1)CCCC2 ZINC000663448391 423819956 /nfs/dbraw/zinc/81/99/56/423819956.db2.gz RJFRZWSRPIESQS-SNVBAGLBSA-N 2 0 273.384 1.586 10 0 CDAERP CO[C@H](C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)C1CCCC1 ZINC000662274829 423838726 /nfs/dbraw/zinc/83/87/26/423838726.db2.gz XNYOZCCXOLYNFK-QLFBSQMISA-N 2 0 252.402 1.875 10 0 CDAERP C[C@H](NC(=O)NCCC1(C[NH3+])CC1)C1=CC[N@H+](C)CC1 ZINC000652177908 424000755 /nfs/dbraw/zinc/00/07/55/424000755.db2.gz YOSHHKREMQFWBI-LBPRGKRZSA-N 2 0 280.416 1.065 10 0 CDAERP CN(Cc1cccc2c1CC[NH2+]C2)[C@@H](C[NH3+])C(F)(F)F ZINC000662331605 423967222 /nfs/dbraw/zinc/96/72/22/423967222.db2.gz OEAZBPIATZNBDS-ZDUSSCGKSA-N 2 0 287.329 1.654 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652166776 423987167 /nfs/dbraw/zinc/98/71/67/423987167.db2.gz BUHYQHQMXNPNCN-CQSZACIVSA-N 2 0 296.459 1.393 10 0 CDAERP CCCN(C(=O)NCCC[N@H+](C)CC(C)C)[C@@H]1CC[NH2+]C1 ZINC000652225190 424087745 /nfs/dbraw/zinc/08/77/45/424087745.db2.gz SJNQCUBYMUFEPD-OAHLLOKOSA-N 2 0 298.475 1.748 10 0 CDAERP C[NH2+]C[C@@H]1CCCN(C(=O)NCCC[N@H+](C)CC(C)C)C1 ZINC000652225148 424089477 /nfs/dbraw/zinc/08/94/77/424089477.db2.gz RNIOCAPABRWEFH-HNNXBMFYSA-N 2 0 298.475 1.605 10 0 CDAERP C[NH+]1CCC(C)(CNC(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652238105 424103457 /nfs/dbraw/zinc/10/34/57/424103457.db2.gz SXRVCFDJMNLSKN-UHFFFAOYSA-N 2 0 282.432 1.147 10 0 CDAERP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NCCC1(C[NH3+])CC1 ZINC000652240857 424125326 /nfs/dbraw/zinc/12/53/26/424125326.db2.gz NORVMGHLJGHCIC-AWEZNQCLSA-N 2 0 296.459 1.631 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000662523188 424155354 /nfs/dbraw/zinc/15/53/54/424155354.db2.gz JZUVQKCUDQCEGU-LSDHHAIUSA-N 2 0 293.411 1.158 10 0 CDAERP [NH3+]C[C@H](NC(=O)C[C@@H]([NH3+])c1ccccc1)C(F)(F)F ZINC000655516719 424181420 /nfs/dbraw/zinc/18/14/20/424181420.db2.gz XOLBLCSQTUATBZ-ZJUUUORDSA-N 2 0 275.274 1.082 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)c2cc(C(C)(C)[NH3+])no2)CC1 ZINC000662673605 424296844 /nfs/dbraw/zinc/29/68/44/424296844.db2.gz OMAIUFLUMQFEEH-UHFFFAOYSA-N 2 0 294.399 1.425 10 0 CDAERP CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001667059512 1173227367 /nfs/dbraw/zinc/22/73/67/1173227367.db2.gz QVGVMKHFLHTXIH-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP CCOCC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652360973 424310002 /nfs/dbraw/zinc/31/00/02/424310002.db2.gz VLEJVDMVKJEIIE-MGPQQGTHSA-N 2 0 256.390 1.384 10 0 CDAERP Cc1cnn(CC[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000652363920 424317674 /nfs/dbraw/zinc/31/76/74/424317674.db2.gz RXLGCXYXFHEUKY-XHSDSOJGSA-N 2 0 292.427 1.552 10 0 CDAERP C[C@H]([NH2+]C1CCN([C@@H]2CCOC2)CC1)[C@H]1CCCCO1 ZINC000655747925 424364151 /nfs/dbraw/zinc/36/41/51/424364151.db2.gz MDUASVVFKXCIEU-NUEKZKHPSA-N 2 0 282.428 1.787 10 0 CDAERP C[N@H+](CCCCNC(=O)N[C@H]1CCC[NH+](C)C1)C1CC1 ZINC000652418097 424411973 /nfs/dbraw/zinc/41/19/73/424411973.db2.gz SBUWEQBVRAYMGT-ZDUSSCGKSA-N 2 0 282.432 1.254 10 0 CDAERP C[NH+](C)CC1CCN(C(=O)c2ccccc2CC[NH3+])CC1 ZINC000070552392 424449852 /nfs/dbraw/zinc/44/98/52/424449852.db2.gz HNUDFXHFDBZGIE-UHFFFAOYSA-N 2 0 289.423 1.602 10 0 CDAERP C[C@@H](C[NH2+][C@H]1CC[C@@H](C)SC1)N1CC[NH+](C)CC1 ZINC000655715062 424483932 /nfs/dbraw/zinc/48/39/32/424483932.db2.gz IMPAICHVIQEJPP-MJBXVCDLSA-N 2 0 271.474 1.496 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)CC[N@@H+]1C ZINC000655352060 424485335 /nfs/dbraw/zinc/48/53/35/424485335.db2.gz WDEPKUWOGAWGIB-JONQDZQNSA-N 2 0 293.455 1.850 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000655489420 424507924 /nfs/dbraw/zinc/50/79/24/424507924.db2.gz REAWGONRDYDOKF-KWCYVHTRSA-N 2 0 261.369 1.143 10 0 CDAERP CC(C)[NH+]1CCN(CCC[NH2+][C@H]2C[C@H](O)C23CCC3)CC1 ZINC000661832193 424615006 /nfs/dbraw/zinc/61/50/06/424615006.db2.gz YMZQNKIXGKUIPY-HOTGVXAUSA-N 2 0 295.471 1.296 10 0 CDAERP C[NH+](C)CCC1CC[NH+](C[C@H](O)CC(F)(F)F)CC1 ZINC000188864859 270273270 /nfs/dbraw/zinc/27/32/70/270273270.db2.gz SSJFQZGDYBUXQH-GFCCVEGCSA-N 2 0 282.350 1.963 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](C)CC(F)(F)F ZINC000397020508 270345951 /nfs/dbraw/zinc/34/59/51/270345951.db2.gz RXBMGSAHCWMYEE-VHSXEESVSA-N 2 0 256.312 1.918 10 0 CDAERP C[C@H](CC(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1)[C@H]1CCC[NH2+]C1 ZINC000515060396 270425979 /nfs/dbraw/zinc/42/59/79/270425979.db2.gz XJSFGFDMRGCZQS-HGTKMLMNSA-N 2 0 281.444 1.456 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000516568730 270480021 /nfs/dbraw/zinc/48/00/21/270480021.db2.gz WDOBNUYAJXUHEC-KKUMJFAQSA-N 2 0 296.459 1.772 10 0 CDAERP FC(F)COCC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530239343 271177417 /nfs/dbraw/zinc/17/74/17/271177417.db2.gz FHDSFPBYAZOHDU-ZDUSSCGKSA-N 2 0 292.370 1.359 10 0 CDAERP CC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001667652803 1173307824 /nfs/dbraw/zinc/30/78/24/1173307824.db2.gz SRCPHXKYHZSDIL-UONOGXRCSA-N 2 0 269.433 1.517 10 0 CDAERP CCCC[NH2+]C[C@@H](O)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001667820262 1173328519 /nfs/dbraw/zinc/32/85/19/1173328519.db2.gz HPZRALQAABJJST-CQSZACIVSA-N 2 0 299.459 1.118 10 0 CDAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H](C)O)CC1 ZINC000088667989 276013245 /nfs/dbraw/zinc/01/32/45/276013245.db2.gz ZJMFULIZKNBZPH-HNNXBMFYSA-N 2 0 291.439 1.689 10 0 CDAERP CC[NH+](CC)CCC[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000191792196 276096751 /nfs/dbraw/zinc/09/67/51/276096751.db2.gz YFIHQDXPMYUJGC-YIONKMFJSA-N 2 0 254.418 1.811 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](CO)C2)[C@H](C)C1 ZINC000414343671 276230563 /nfs/dbraw/zinc/23/05/63/276230563.db2.gz QYERZANLOLYRIL-BARDWOONSA-N 2 0 254.418 1.857 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH2+]Cc3ccccc32)C1 ZINC000087618411 276369322 /nfs/dbraw/zinc/36/93/22/276369322.db2.gz JKXZZTYIMXQMTM-GDBMZVCRSA-N 2 0 287.407 1.474 10 0 CDAERP CC[C@H](C(N)=O)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000069016827 276612034 /nfs/dbraw/zinc/61/20/34/276612034.db2.gz MPHPYYIHHDSILX-UMVBOHGHSA-N 2 0 297.443 1.072 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C2CCN(C(N)=O)CC2)C1 ZINC000358347524 277396828 /nfs/dbraw/zinc/39/68/28/277396828.db2.gz UILSEEPMSMAULL-CQSZACIVSA-N 2 0 296.459 1.487 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000417826550 277933642 /nfs/dbraw/zinc/93/36/42/277933642.db2.gz MZHVDADMCNJBPT-VHDGCEQUSA-N 2 0 289.423 1.827 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CCCC[C@@H]2CC(N)=O)CC[NH2+]1 ZINC000414693465 278011176 /nfs/dbraw/zinc/01/11/76/278011176.db2.gz RPFCDUDNOLHXIL-JHJVBQTASA-N 2 0 253.390 1.104 10 0 CDAERP CC(=O)NC1CCC([N@H+](C)C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261929099 278087011 /nfs/dbraw/zinc/08/70/11/278087011.db2.gz CNVKYLUBPULSCW-NRXISQOPSA-N 2 0 267.417 1.365 10 0 CDAERP CC1(C)CN(C(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000262159602 278310142 /nfs/dbraw/zinc/31/01/42/278310142.db2.gz XXGBEQBRIICAIY-UONOGXRCSA-N 2 0 293.386 1.454 10 0 CDAERP CCN1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000093452723 279322917 /nfs/dbraw/zinc/32/29/17/279322917.db2.gz UVGUFBZAHJHWRD-XUWVNRHRSA-N 2 0 265.445 1.981 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CC12CC2 ZINC000421757362 279328889 /nfs/dbraw/zinc/32/88/89/279328889.db2.gz MVYOYOWEGCRTTQ-GJZGRUSLSA-N 2 0 293.455 1.661 10 0 CDAERP CCN(CC[NH2+]CC1CCC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001668381980 1173406461 /nfs/dbraw/zinc/40/64/61/1173406461.db2.gz PETJCEMDQDKHKC-AWEZNQCLSA-N 2 0 267.417 1.319 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000361724708 279675457 /nfs/dbraw/zinc/67/54/57/279675457.db2.gz AFBMMFSBVNOJBB-RRFJBIMHSA-N 2 0 279.428 1.591 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCC[NH+](CC)C1 ZINC000246451195 280280828 /nfs/dbraw/zinc/28/08/28/280280828.db2.gz UPYQFNKEDDRDDQ-UONOGXRCSA-N 2 0 282.432 1.254 10 0 CDAERP CC(C)[C@H]([NH3+])CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000418406519 280284560 /nfs/dbraw/zinc/28/45/60/280284560.db2.gz LVLSJPPTRQSEDA-HUUCEWRRSA-N 2 0 296.459 1.630 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC[C@@H]2CCC[N@@H+]2C)C1 ZINC000247231599 280324309 /nfs/dbraw/zinc/32/43/09/280324309.db2.gz ZHWPKOJGNYHSIZ-MCIONIFRSA-N 2 0 282.432 1.253 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000522138291 281087368 /nfs/dbraw/zinc/08/73/68/281087368.db2.gz ZPIVJEAMWXVGCD-HZSPNIEDSA-N 2 0 267.417 1.317 10 0 CDAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C[NH+](C)C(C)C ZINC000247033230 281196683 /nfs/dbraw/zinc/19/66/83/281196683.db2.gz ULHYPAYWMFUUCS-KBPBESRZSA-N 2 0 267.417 1.412 10 0 CDAERP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000091392888 289294157 /nfs/dbraw/zinc/29/41/57/289294157.db2.gz BPPCHVQYSAKQHC-XGUBFFRZSA-N 2 0 279.428 1.460 10 0 CDAERP CC(=O)NC1CCC([NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000554140385 290146407 /nfs/dbraw/zinc/14/64/07/290146407.db2.gz WYRABTGVBOEDBY-UHFFFAOYSA-N 2 0 293.455 1.898 10 0 CDAERP CC(C)[NH+](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)C ZINC000561062743 293046447 /nfs/dbraw/zinc/04/64/47/293046447.db2.gz SXKDLJRAGJXJNH-CQSZACIVSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)C2CCOCC2)CC1 ZINC000561424250 293083978 /nfs/dbraw/zinc/08/39/78/293083978.db2.gz PMXCOFAFHCPGMD-UHFFFAOYSA-N 2 0 297.443 1.086 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@]1(N(C)C)CCC[C@H](C)C1 ZINC000300159710 293096259 /nfs/dbraw/zinc/09/62/59/293096259.db2.gz SCJPDNMZLZQSFI-HRCADAONSA-N 2 0 285.476 1.840 10 0 CDAERP C[C@@H]([NH3+])C[C@H](C)NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000563092216 293270620 /nfs/dbraw/zinc/27/06/20/293270620.db2.gz IQJMVVUVAHMTBJ-KBHBFKLGSA-N 2 0 284.448 1.532 10 0 CDAERP C[C@H]([NH3+])c1ccc(NC(=O)COC2CCC([NH3+])CC2)cc1 ZINC000563103333 293275571 /nfs/dbraw/zinc/27/55/71/293275571.db2.gz GVXKOJGCNAVNFA-ZOODHJKOSA-N 2 0 291.395 1.931 10 0 CDAERP COCCN1CC[C@@H]([NH2+]CCC2(COC)CC2)C1 ZINC000568882438 294119599 /nfs/dbraw/zinc/11/95/99/294119599.db2.gz WQYZZRKNFGCRBM-CYBMUJFWSA-N 2 0 256.390 1.113 10 0 CDAERP Cc1nn(C)c(C)c1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000570782435 294306385 /nfs/dbraw/zinc/30/63/85/294306385.db2.gz PEOFUPQAZWIJJQ-ZWNOBZJWSA-N 2 0 250.390 1.515 10 0 CDAERP COc1ccc([C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H]2CCC[NH2+]2)cc1 ZINC000423449581 295216831 /nfs/dbraw/zinc/21/68/31/295216831.db2.gz GHTURMGUQBCHNX-DMRKSPOLSA-N 2 0 287.407 1.296 10 0 CDAERP COc1ccc([C@H](NCCC[NH3+])[C@H]2CCC[NH2+]2)cc1 ZINC000423197191 295244878 /nfs/dbraw/zinc/24/48/78/295244878.db2.gz YHRKMFPYHOFOJU-CABCVRRESA-N 2 0 263.385 1.427 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000261625787 295272321 /nfs/dbraw/zinc/27/23/21/295272321.db2.gz BFIMYTJZQVVDBJ-VNHYZAJKSA-N 2 0 279.428 1.495 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H](C(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000335032423 295304091 /nfs/dbraw/zinc/30/40/91/295304091.db2.gz XYCCPDSTJUWLQR-LMRVLLHPSA-N 2 0 279.428 1.637 10 0 CDAERP [NH3+][C@H]1CCC[C@H](C(=O)NCC[NH2+]C2CCCCCC2)C1 ZINC000237914053 295337293 /nfs/dbraw/zinc/33/72/93/295337293.db2.gz BIAZHRDAXFIXCJ-KBPBESRZSA-N 2 0 281.444 1.933 10 0 CDAERP C[C@@H](C[NH2+]C/C=C/Cl)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001669595917 1173573689 /nfs/dbraw/zinc/57/36/89/1173573689.db2.gz UKGXRTVOXKUGRZ-GAEWNOSXSA-N 2 0 273.808 1.318 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001669861526 1173620375 /nfs/dbraw/zinc/62/03/75/1173620375.db2.gz BDGLKEFWVKITQK-UONOGXRCSA-N 2 0 267.417 1.483 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000563378846 316278955 /nfs/dbraw/zinc/27/89/55/316278955.db2.gz WIDXSIVNTXOYNW-CYBMUJFWSA-N 2 0 267.417 1.176 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)CC[C@H]2CCCC[N@@H+]2C)CC[NH2+]1 ZINC000563623465 316345144 /nfs/dbraw/zinc/34/51/44/316345144.db2.gz LNBDAOQHUFMEPR-HZSPNIEDSA-N 2 0 267.417 1.508 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000566857516 316692501 /nfs/dbraw/zinc/69/25/01/316692501.db2.gz RTKABSBQZLFXCY-ZDEQEGDKSA-N 2 0 255.406 1.526 10 0 CDAERP C[NH+](C)Cc1ccc(-c2noc(CC(F)(F)C[NH3+])n2)cc1 ZINC000569460119 316785495 /nfs/dbraw/zinc/78/54/95/316785495.db2.gz BFUNHASPMZJADO-UHFFFAOYSA-N 2 0 296.321 1.935 10 0 CDAERP Cn1cncc1CCC[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000576119074 317079866 /nfs/dbraw/zinc/07/98/66/317079866.db2.gz CDRNYXDLGNAJDH-CMPLNLGQSA-N 2 0 291.317 1.598 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000577219875 317288579 /nfs/dbraw/zinc/28/85/79/317288579.db2.gz GTFBAIHULSWUFX-QLFBSQMISA-N 2 0 279.428 1.604 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)NC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000577392063 317323044 /nfs/dbraw/zinc/32/30/44/317323044.db2.gz LCNZRPFZSNBRBG-SRVKXCTJSA-N 2 0 278.400 1.631 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)[C@H]2CC[NH2+][C@@H]2C)CC1 ZINC000577509829 317346461 /nfs/dbraw/zinc/34/64/61/317346461.db2.gz LZPIFZALLRCESM-OCCSQVGLSA-N 2 0 267.417 1.223 10 0 CDAERP CN1CCC[C@H]1C[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC000577722197 317387989 /nfs/dbraw/zinc/38/79/89/317387989.db2.gz KFDJIXMABFANHF-GJZGRUSLSA-N 2 0 266.360 1.413 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000185291642 323387726 /nfs/dbraw/zinc/38/77/26/323387726.db2.gz FUOJKGJXXCODBS-UHFFFAOYSA-N 2 0 282.432 1.206 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CCC[NH+](C)C)C1 ZINC000185592386 323392559 /nfs/dbraw/zinc/39/25/59/323392559.db2.gz OLEVCZLKLWWKGP-CYBMUJFWSA-N 2 0 270.421 1.064 10 0 CDAERP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@@H](C)COC)CC1 ZINC000187856803 323434790 /nfs/dbraw/zinc/43/47/90/323434790.db2.gz CFLXUQARZJPTBW-LSDHHAIUSA-N 2 0 271.449 1.132 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCC[NH2+]C(C)C)[C@H](C)C1 ZINC000579572326 324220071 /nfs/dbraw/zinc/22/00/71/324220071.db2.gz ZDLAUDWAWGPYOQ-HUUCEWRRSA-N 2 0 298.475 1.746 10 0 CDAERP C[C@@H]1CN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)C[C@H](C)[NH2+]1 ZINC000579834852 324295320 /nfs/dbraw/zinc/29/53/20/324295320.db2.gz XOAGOTZKRAKHLL-MJBXVCDLSA-N 2 0 267.417 1.460 10 0 CDAERP CCOCCCNC(=O)[C@H](C)N1CC2CCC1(C[NH3+])CC2 ZINC000580094942 324371151 /nfs/dbraw/zinc/37/11/51/324371151.db2.gz CEMSUTJUCQSIPT-HLIUYOAVSA-N 2 0 297.443 1.121 10 0 CDAERP CC(C)=CC[NH2+][C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001673876939 1173891774 /nfs/dbraw/zinc/89/17/74/1173891774.db2.gz AFVMILNOKGKQBM-CABCVRRESA-N 2 0 293.455 1.873 10 0 CDAERP [NH3+]Cc1ccc(-c2noc([C@@H]3C[C@]34CC[NH2+]C4)n2)cc1 ZINC000581823859 324837990 /nfs/dbraw/zinc/83/79/90/324837990.db2.gz JPKZFZMBPQIORA-WFASDCNBSA-N 2 0 270.336 1.662 10 0 CDAERP CC[N@@H+]1CC[C@@H](NC(=O)C[C@H](C)n2ccnc2)C1 ZINC000582790832 325045037 /nfs/dbraw/zinc/04/50/37/325045037.db2.gz HFFGESSFAUIZPR-NWDGAFQWSA-N 2 0 250.346 1.045 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)CN2CC(C)(C)C2)[C@H](C)C1 ZINC000583701924 325226393 /nfs/dbraw/zinc/22/63/93/325226393.db2.gz DOINMBWVYOEUBA-ZIAGYGMSSA-N 2 0 281.444 1.517 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001625876097 1159123738 /nfs/dbraw/zinc/12/37/38/1159123738.db2.gz QEUMJAYIFJWQIK-RDBSUJKOSA-N 2 0 267.417 1.317 10 0 CDAERP CC(C)=CC[NH+](C)[C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001725180964 1159185161 /nfs/dbraw/zinc/18/51/61/1159185161.db2.gz MXLDOHFMPQBFNI-LSDHHAIUSA-N 2 0 281.444 1.731 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)[C@H]1CCCC[C@H]1[NH3+])c1ccccc1 ZINC000250349981 1159246788 /nfs/dbraw/zinc/24/67/88/1159246788.db2.gz UAMWPBZUWPNUAY-ARFHVFGLSA-N 2 0 289.423 1.923 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+]CCc1ccccc1 ZINC001481319491 1159655685 /nfs/dbraw/zinc/65/56/85/1159655685.db2.gz GPNZARHAYSAYOS-UHFFFAOYSA-N 2 0 291.439 1.617 10 0 CDAERP C[C@H](F)CC[NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001268574151 1159979097 /nfs/dbraw/zinc/97/90/97/1159979097.db2.gz SNJINOYSIGKMKV-NNTXTVRGSA-N 2 0 299.434 1.871 10 0 CDAERP COCCC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC001482548864 1160375727 /nfs/dbraw/zinc/37/57/27/1160375727.db2.gz WSTSZDGYXMESKU-GJZGRUSLSA-N 2 0 299.459 1.238 10 0 CDAERP COCCC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC001482548862 1160376866 /nfs/dbraw/zinc/37/68/66/1160376866.db2.gz WSTSZDGYXMESKU-CABCVRRESA-N 2 0 299.459 1.238 10 0 CDAERP CCC[C@@H](C)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000668740885 482224690 /nfs/dbraw/zinc/22/46/90/482224690.db2.gz YEYXAPZRSMWUGZ-HIFRSBDPSA-N 2 0 254.418 1.954 10 0 CDAERP C[C@@H]1C[C@@H](C[NH+]2CCN(C(=O)CC(C)(C)C)CC2)CC[NH2+]1 ZINC000666619079 482485410 /nfs/dbraw/zinc/48/54/10/482485410.db2.gz VOUQCIRCQQXIMA-CABCVRRESA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H]1C[C@@H](C(=O)Nc2cccc3c2CC[NH2+]C3)CC[NH2+]1 ZINC000669510873 482520437 /nfs/dbraw/zinc/52/04/37/482520437.db2.gz NUDMRNSTCOVPDB-RYUDHWBXSA-N 2 0 273.380 1.659 10 0 CDAERP C[C@@H]1CC[NH2+][C@@H](C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)C1 ZINC000669518340 482545593 /nfs/dbraw/zinc/54/55/93/482545593.db2.gz NRLZNONQTTWZHL-QMTHXVAHSA-N 2 0 291.370 1.798 10 0 CDAERP C[C@H]([NH2+]C1CCN(C(=O)C(C)(C)C)CC1)[C@@H]1CC[NH2+]C1 ZINC000400721493 482598291 /nfs/dbraw/zinc/59/82/91/482598291.db2.gz OPZMGZLBVWLSKT-QWHCGFSZSA-N 2 0 281.444 1.611 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000669286348 482648256 /nfs/dbraw/zinc/64/82/56/482648256.db2.gz JYIACMLPJCZZNS-CHWSQXEVSA-N 2 0 270.421 1.158 10 0 CDAERP Cc1cc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c2ccccc2[nH+]1 ZINC000405287898 482864593 /nfs/dbraw/zinc/86/45/93/482864593.db2.gz YKZDBQHZIXPRPE-UONOGXRCSA-N 2 0 283.375 1.798 10 0 CDAERP C[C@@H]1CCC[C@](CNC(=O)NC/C=C/C[NH3+])([NH+](C)C)C1 ZINC000669402884 482886073 /nfs/dbraw/zinc/88/60/73/482886073.db2.gz SPWGISWGXABEMV-GRJAPKLVSA-N 2 0 282.432 1.311 10 0 CDAERP COC[C@H](CC1CCOCC1)[NH2+][C@H]1CCN(CC2CC2)C1 ZINC000657875164 482908468 /nfs/dbraw/zinc/90/84/68/482908468.db2.gz ATMIUDZKAZGRDG-IRXDYDNUSA-N 2 0 296.455 1.892 10 0 CDAERP CC(C)C[C@](C)(C[NH3+])NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261977775 482954189 /nfs/dbraw/zinc/95/41/89/482954189.db2.gz OBHJZUWHVCEWFA-YRGRVCCFSA-N 2 0 255.406 1.241 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000250641044 483021625 /nfs/dbraw/zinc/02/16/25/483021625.db2.gz TVHQDBLTENBUPT-GSPSYOTPSA-N 2 0 265.401 1.118 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000669469242 483180687 /nfs/dbraw/zinc/18/06/87/483180687.db2.gz IGJBJFQACBMYHP-QLFBSQMISA-N 2 0 296.459 1.691 10 0 CDAERP COC[C@@](C)(CO)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000679118251 483277546 /nfs/dbraw/zinc/27/75/46/483277546.db2.gz VKCYEURMBUWMNP-MRXNPFEDSA-N 2 0 296.411 1.114 10 0 CDAERP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000669491090 483281101 /nfs/dbraw/zinc/28/11/01/483281101.db2.gz LVEKSAJYDFNXCR-QLFBSQMISA-N 2 0 292.427 1.007 10 0 CDAERP COCCN1CCC([NH2+][C@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667814965 483445259 /nfs/dbraw/zinc/44/52/59/483445259.db2.gz GCGOCDZWVCVLCY-CABCVRRESA-N 2 0 268.401 1.254 10 0 CDAERP CCCC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001483456033 1160924833 /nfs/dbraw/zinc/92/48/33/1160924833.db2.gz LDTXGLJXLSQHHC-ZDUSSCGKSA-N 2 0 255.406 1.319 10 0 CDAERP CCC[NH2+][C@H](CN1CC[N@H+](C)C(C)(C)C1)C1CC1 ZINC000069075693 520082992 /nfs/dbraw/zinc/08/29/92/520082992.db2.gz NDPYNLRLJKTCQR-CQSZACIVSA-N 2 0 253.434 1.791 10 0 CDAERP CC[NH2+][C@@H](CN1CC[NH+](CC(C)C)CC1)C1CC1 ZINC000069075037 520099815 /nfs/dbraw/zinc/09/98/15/520099815.db2.gz GMOIGHWZWUBSFK-HNNXBMFYSA-N 2 0 253.434 1.648 10 0 CDAERP CCC[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001732455259 1182974743 /nfs/dbraw/zinc/97/47/43/1182974743.db2.gz NZXTYHDBXVNEGM-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP C([NH2+]C1CC1)C1(CN2CC[NH+](C3CC3)CC2)CCOCC1 ZINC000052198077 518396874 /nfs/dbraw/zinc/39/68/74/518396874.db2.gz HIVOFSIDLQXQRN-UHFFFAOYSA-N 2 0 293.455 1.315 10 0 CDAERP CC(C)(C)C1CC[NH+](CCn2cc(C[NH3+])nn2)CC1 ZINC000052373627 518607704 /nfs/dbraw/zinc/60/77/04/518607704.db2.gz XNZNXUGYZXPTHB-UHFFFAOYSA-N 2 0 265.405 1.495 10 0 CDAERP CC(C)C1CCC(CO)([N@@H+]2CCC[NH2+]CC2)CC1 ZINC000054557668 519563619 /nfs/dbraw/zinc/56/36/19/519563619.db2.gz UTYNDSRRYGIPKS-UHFFFAOYSA-N 2 0 254.418 1.859 10 0 CDAERP CC(C)[NH+](CCNC(=O)[C@@H]1CC[C@H]([NH3+])[C@@H](C)C1)C(C)C ZINC000055124997 519647509 /nfs/dbraw/zinc/64/75/09/519647509.db2.gz WXOKTQKEAFUBFK-ZNMIVQPWSA-N 2 0 283.460 1.985 10 0 CDAERP CC(C)C[NH+]1CCN(CC[C@@H]2CCCC[NH2+]2)CC1 ZINC000055079535 519726129 /nfs/dbraw/zinc/72/61/29/519726129.db2.gz RZIWSJSUHYEUDQ-HNNXBMFYSA-N 2 0 253.434 1.792 10 0 CDAERP CC(C)[NH2+][C@](C)(CO)C[C@H](C)N(C)CC[NH+]1CCCC1 ZINC000070337004 519739795 /nfs/dbraw/zinc/73/97/95/519739795.db2.gz YNNUNLKEJJRKQB-HOTGVXAUSA-N 2 0 285.476 1.542 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)CN1CCC([NH+](C)C)CC1 ZINC000052477594 519744572 /nfs/dbraw/zinc/74/45/72/519744572.db2.gz RZPCXIUZYRUVLI-CQSZACIVSA-N 2 0 255.450 1.894 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)CC1CC[NH2+]CC1 ZINC000049220914 519793118 /nfs/dbraw/zinc/79/31/18/519793118.db2.gz NHFMOFQGMQHQEV-CYBMUJFWSA-N 2 0 255.406 1.079 10 0 CDAERP CCC[NH+]1CCC(C[NH3+])(N2CCC[C@H]2C[NH+](C)C)CC1 ZINC000061643041 519842182 /nfs/dbraw/zinc/84/21/82/519842182.db2.gz PRWBZWHLPHMLSC-HNNXBMFYSA-N 3 0 282.476 1.216 10 0 CDAERP CCC[NH2+]Cc1cn(CC[N@H+](CCOC)[C@H](C)CC)nn1 ZINC000052547344 519961234 /nfs/dbraw/zinc/96/12/34/519961234.db2.gz USZSUSNLXAHUGD-CQSZACIVSA-N 2 0 297.447 1.525 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2ccncc2)O1 ZINC000052481011 519978393 /nfs/dbraw/zinc/97/83/93/519978393.db2.gz RXWMXKRTBONIDG-CABCVRRESA-N 2 0 263.385 1.671 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000061270044 520067403 /nfs/dbraw/zinc/06/74/03/520067403.db2.gz UZRBMSRXJYODTA-QWHCGFSZSA-N 2 0 257.422 1.467 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000061270893 520070745 /nfs/dbraw/zinc/07/07/45/520070745.db2.gz XBMZJUPUGMXDFD-ZDUSSCGKSA-N 2 0 293.411 1.954 10 0 CDAERP CC[NH2+][C@@H]1CCC[C@@H]1CN1CC[NH+](C(C)C)CC1 ZINC000053867531 520118273 /nfs/dbraw/zinc/11/82/73/520118273.db2.gz ZZTVZNMZZJMRPZ-HUUCEWRRSA-N 2 0 253.434 1.791 10 0 CDAERP CC[NH2+][C@@H]1CCOC[C@@H]1N1CC[C@H]([NH+](CC)CC)C1 ZINC000062978946 520121314 /nfs/dbraw/zinc/12/13/14/520121314.db2.gz YQBASUVLOIJHBI-ZNMIVQPWSA-N 2 0 269.433 1.170 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)Nc1c[nH+]ccc1N(C)C ZINC000061270312 520171520 /nfs/dbraw/zinc/17/15/20/520171520.db2.gz NKOULMISIIRBNE-SNVBAGLBSA-N 2 0 250.346 1.474 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)c1ccc(C[NH3+])cc1 ZINC000236713488 520406296 /nfs/dbraw/zinc/40/62/96/520406296.db2.gz XBXCBAKTWSVCCV-UHFFFAOYSA-N 2 0 263.385 1.607 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)C(C)(C)[NH2+]CC)CC1 ZINC000061290266 520569742 /nfs/dbraw/zinc/56/97/42/520569742.db2.gz ZKOBQTKEPFAJMU-UHFFFAOYSA-N 2 0 269.433 1.755 10 0 CDAERP CC[NH+]1CCC(C[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)CC1 ZINC000054629494 521548705 /nfs/dbraw/zinc/54/87/05/521548705.db2.gz OMGUUSCKXFJNPT-GOOCMWNKSA-N 3 0 251.418 1.672 10 0 CDAERP CCN1CCC([N@H+](C)CCC[C@@H]2CCC[NH2+]2)CC1 ZINC000052764538 521560846 /nfs/dbraw/zinc/56/08/46/521560846.db2.gz ZBJHNGHDRIYCKG-AWEZNQCLSA-N 2 0 253.434 1.935 10 0 CDAERP C[NH2+]Cc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)o1 ZINC000052515297 522117442 /nfs/dbraw/zinc/11/74/42/522117442.db2.gz JTUVVDYHTQBGGD-UHFFFAOYSA-N 3 0 265.401 1.773 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(Cc2cc(C)c(C[NH3+])o2)CC1 ZINC000055074201 522127083 /nfs/dbraw/zinc/12/70/83/522127083.db2.gz RNPKILGKKVFOCK-CYBMUJFWSA-N 2 0 265.401 1.963 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(c2nc3ccccn3c2C[NH3+])CC1 ZINC000055068762 522136969 /nfs/dbraw/zinc/13/69/69/522136969.db2.gz FOYIEUKOOQWLHK-CYBMUJFWSA-N 2 0 287.411 1.714 10 0 CDAERP CC[C@H](CCO)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353528786 522146790 /nfs/dbraw/zinc/14/67/90/522146790.db2.gz HZWYUSSDPQZSEE-LXTVHRRPSA-N 2 0 254.418 1.857 10 0 CDAERP C[NH2+]Cc1oc(CN(C)C2CC[NH+](C)CC2)cc1C ZINC000052419964 522161477 /nfs/dbraw/zinc/16/14/77/522161477.db2.gz YRRGNCNQAIPGJQ-UHFFFAOYSA-N 2 0 265.401 1.833 10 0 CDAERP CC[C@@H](C[NH2+]C)N1CCC([NH+]2CCCCC2)CC1 ZINC000052484172 522546181 /nfs/dbraw/zinc/54/61/81/522546181.db2.gz GHCFVPPISMGBRW-AWEZNQCLSA-N 2 0 253.434 1.935 10 0 CDAERP C[N@H+](CCCCC[NH2+]C(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000052482907 522730409 /nfs/dbraw/zinc/73/04/09/522730409.db2.gz XLFFXALYPYNIQG-ZDUSSCGKSA-N 2 0 290.473 1.664 10 0 CDAERP COCCC[N@H+](CCCC1CC[NH2+]CC1)CCOC ZINC000050953620 523241369 /nfs/dbraw/zinc/24/13/69/523241369.db2.gz OWOJUWYJEJYYOV-UHFFFAOYSA-N 2 0 272.433 1.751 10 0 CDAERP COCC[N@H+](CCCC1CC[NH2+]CC1)[C@@H](C)COC ZINC000050953729 523694202 /nfs/dbraw/zinc/69/42/02/523694202.db2.gz DCYQQADXAQWVHR-AWEZNQCLSA-N 2 0 272.433 1.750 10 0 CDAERP C[NH+]1CCC(N2CC[NH2+]C[C@H]2c2ccccc2)CC1 ZINC000062655558 523770596 /nfs/dbraw/zinc/77/05/96/523770596.db2.gz WOQQEONXEBUOJF-INIZCTEOSA-N 2 0 259.397 1.727 10 0 CDAERP COCC[N@@H+]1CCCN(C(=O)CC[C@H]2CCCC[NH2+]2)CC1 ZINC000050948014 523819079 /nfs/dbraw/zinc/81/90/79/523819079.db2.gz TWMNPWAYGJVFGA-OAHLLOKOSA-N 2 0 297.443 1.089 10 0 CDAERP COCC[NH2+]CCCCN1CCC([NH+](C)C)CC1 ZINC000053499171 523936054 /nfs/dbraw/zinc/93/60/54/523936054.db2.gz GREWBSQLBIRYOQ-UHFFFAOYSA-N 2 0 257.422 1.029 10 0 CDAERP CC[C@H](C)[NH+]1CCN(c2nnc(C)c(C)c2C[NH3+])CC1 ZINC000055063359 523961933 /nfs/dbraw/zinc/96/19/33/523961933.db2.gz YPWKKUDKTRNJQF-NSHDSACASA-N 2 0 277.416 1.473 10 0 CDAERP C[NH+](C)CC(C)(C)CNC(=O)[C@H]1CCC[C@@H](CC[NH3+])C1 ZINC000055146285 524046158 /nfs/dbraw/zinc/04/61/58/524046158.db2.gz YBOUPTUMSWVKQO-KBPBESRZSA-N 2 0 283.460 1.846 10 0 CDAERP CCc1ccc([C@H](C[NH3+])N2CCC[C@@H]2C[NH+](C)C)o1 ZINC000061642751 524048011 /nfs/dbraw/zinc/04/80/11/524048011.db2.gz SNEAYUQDFMMEOC-OCCSQVGLSA-N 2 0 265.401 1.868 10 0 CDAERP C[NH+](C)CC1CCN(c2ccc(C[NH2+]C3CC3)nn2)CC1 ZINC000051484409 524050134 /nfs/dbraw/zinc/05/01/34/524050134.db2.gz JAJKNFSPCQEQMV-UHFFFAOYSA-N 2 0 289.427 1.507 10 0 CDAERP C[C@@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)NCC1CC[NH+](C)CC1 ZINC000055140208 524301308 /nfs/dbraw/zinc/30/13/08/524301308.db2.gz QHYMHEWZZNJMEP-MRVWCRGKSA-N 2 0 267.417 1.208 10 0 CDAERP C[C@H](C[NH+]1CCCC1)NC(=O)C1([NH3+])CCCCC1 ZINC000049184850 524313499 /nfs/dbraw/zinc/31/34/99/524313499.db2.gz GWKDGGUQAKWZHF-GFCCVEGCSA-N 2 0 253.390 1.249 10 0 CDAERP C[C@H](CNC(=O)[C@H]1C[C@@H]([NH3+])CC[C@@H]1C)[NH+]1CCCCC1 ZINC000055135369 524452415 /nfs/dbraw/zinc/45/24/15/524452415.db2.gz FPNKCHZTIJKOEA-XGUBFFRZSA-N 2 0 281.444 1.741 10 0 CDAERP C[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2C)C[C@@H]1[NH3+] ZINC000055138620 524633510 /nfs/dbraw/zinc/63/35/10/524633510.db2.gz LCNOIMYVPMIEPW-RFGFWPKPSA-N 2 0 267.417 1.350 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CCCC[C@@H]1[NH3+])[NH+]1CCCCC1 ZINC000055089020 524706980 /nfs/dbraw/zinc/70/69/80/524706980.db2.gz BFNPPOJQYHSIMG-IHRRRGAJSA-N 2 0 267.417 1.495 10 0 CDAERP COc1ccccc1[C@H](C[NH3+])N1CCC[C@@H]1C[NH+](C)C ZINC000061641957 524789690 /nfs/dbraw/zinc/78/96/90/524789690.db2.gz NNBYZOVSFUPLSI-HIFRSBDPSA-N 2 0 277.412 1.721 10 0 CDAERP C[C@H]([NH3+])[C@H](c1ccncc1)N1CCC[C@@H]1C[NH+](C)C ZINC000061642243 524854036 /nfs/dbraw/zinc/85/40/36/524854036.db2.gz RDUZUUHHOCIBPE-NWANDNLSSA-N 2 0 262.401 1.496 10 0 CDAERP C[C@@H](C[C@](C)([NH3+])C(=O)[O-])[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000068671610 524860353 /nfs/dbraw/zinc/86/03/53/524860353.db2.gz JNLGSKVXLMQCGF-BBRMVZONSA-N 2 0 297.443 1.375 10 0 CDAERP C[C@H]1C[C@H](C(=O)NCC2CC[NH+](C)CC2)CC[C@@H]1[NH3+] ZINC000055140167 524868176 /nfs/dbraw/zinc/86/81/76/524868176.db2.gz CEVRLFWDTUCPTB-YUTCNCBUSA-N 2 0 267.417 1.208 10 0 CDAERP C[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)C(C)(C)C[NH+](C)C ZINC000262666740 525152945 /nfs/dbraw/zinc/15/29/45/525152945.db2.gz KRKPEUHGZMTTRA-XQLPTFJDSA-N 2 0 295.471 2.000 10 0 CDAERP C[C@@H]1C[C@H]([NH3+])CC[C@@H]1C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000055134951 525418858 /nfs/dbraw/zinc/41/88/58/525418858.db2.gz XMHKDFDRSYJRMO-YUELXQCFSA-N 2 0 281.444 1.550 10 0 CDAERP c1ccc(N2CC[NH+](CCC[C@@H]3CCC[NH2+]3)CC2)nc1 ZINC000052764224 526480939 /nfs/dbraw/zinc/48/09/39/526480939.db2.gz PGLIWRWVIIYJTP-HNNXBMFYSA-N 2 0 274.412 1.736 10 0 CDAERP [NH3+]C1CCC(CC(=O)N[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000055123543 527139786 /nfs/dbraw/zinc/13/97/86/527139786.db2.gz IATDUGOCBDJTCO-UBHUBRDASA-N 2 0 265.401 1.104 10 0 CDAERP [NH3+]CC1(CN2CC[NH+](C3CCCC3)CC2)CCOCC1 ZINC000052198301 527164194 /nfs/dbraw/zinc/16/41/94/527164194.db2.gz NYLQXGSKMJFQAI-UHFFFAOYSA-N 2 0 281.444 1.302 10 0 CDAERP [NH3+]CC1CCC(C(=O)N2CC[NH+](C3CCCC3)CC2)CC1 ZINC000055161022 527164889 /nfs/dbraw/zinc/16/48/89/527164889.db2.gz YKTJEXNNCFCSHD-UHFFFAOYSA-N 2 0 293.455 1.838 10 0 CDAERP [NH3+]CC1CCC(C(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000055161896 527165117 /nfs/dbraw/zinc/16/51/17/527165117.db2.gz KIWWCBQYKYHDQT-UHFFFAOYSA-N 2 0 281.444 1.744 10 0 CDAERP [NH3+]C[C@@H]1CC[C@H](CN2CC[NH+](C3CCCC3)CC2)O1 ZINC000052573514 527219421 /nfs/dbraw/zinc/21/94/21/527219421.db2.gz OUNXTZHPBZBXEX-LSDHHAIUSA-N 2 0 267.417 1.053 10 0 CDAERP [NH3+]Cc1ccnc(N2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000062035965 527261435 /nfs/dbraw/zinc/26/14/35/527261435.db2.gz MNPHRSGMUGOGAE-UHFFFAOYSA-N 2 0 274.412 1.853 10 0 CDAERP [NH3+]Cc1cn(CC[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)nn1 ZINC000052482319 527261873 /nfs/dbraw/zinc/26/18/73/527261873.db2.gz JOSWVSOSUAWJGP-CHWSQXEVSA-N 2 0 263.389 1.249 10 0 CDAERP NNc1ccc(Cl)c(CN2CC[NH+](CC3CC3)CC2)[nH+]1 ZINC000061638776 527279700 /nfs/dbraw/zinc/27/97/00/527279700.db2.gz NIOVUPFBEMTBDO-UHFFFAOYSA-N 2 0 295.818 1.548 10 0 CDAERP OCC1(C[NH+]2CCC([NH+]3CCCCC3)CC2)CCOCC1 ZINC000052199493 527523042 /nfs/dbraw/zinc/52/30/42/527523042.db2.gz SBNVKMFHLVIDRZ-UHFFFAOYSA-N 2 0 296.455 1.726 10 0 CDAERP OCCC[C@H]1CCC[N@@H+]1CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052763426 527544448 /nfs/dbraw/zinc/54/44/48/527544448.db2.gz JFJNZAWKSGJEDC-MRXNPFEDSA-N 2 0 296.455 1.772 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)C1 ZINC000417892739 528025288 /nfs/dbraw/zinc/02/52/88/528025288.db2.gz ROUGPDCOQCNHIC-RBSFLKMASA-N 2 0 296.459 1.262 10 0 CDAERP CCn1nncc1C[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC000417973624 528118182 /nfs/dbraw/zinc/11/81/82/528118182.db2.gz VHFBTJSMPNJZBZ-ZDUSSCGKSA-N 2 0 267.421 1.898 10 0 CDAERP CC[NH+](CC)CCCNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000416822322 535513764 /nfs/dbraw/zinc/51/37/64/535513764.db2.gz VSVHHYDNQYQDBD-ZIAGYGMSSA-N 2 0 282.432 1.112 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000261726008 535534170 /nfs/dbraw/zinc/53/41/70/535534170.db2.gz KRHXIEFHXBHRIG-CABCVRRESA-N 2 0 281.444 1.885 10 0 CDAERP CCCn1cc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cn1 ZINC000414801884 535613930 /nfs/dbraw/zinc/61/39/30/535613930.db2.gz MIYHFPVVNVBMED-UONOGXRCSA-N 2 0 250.390 1.900 10 0 CDAERP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@H](C)[NH+](CC)CC ZINC000121978187 535645847 /nfs/dbraw/zinc/64/58/47/535645847.db2.gz HVTSALXZEVYOJF-KBPBESRZSA-N 2 0 286.464 1.746 10 0 CDAERP C[NH+](C)Cc1cccc(C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000262183435 536022947 /nfs/dbraw/zinc/02/29/47/536022947.db2.gz ZHAORHVYUUGVGR-OAHLLOKOSA-N 2 0 289.423 1.948 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](c1ccco1)N(C)C ZINC000234723919 536596529 /nfs/dbraw/zinc/59/65/29/536596529.db2.gz XBIUZQLKFHGWIW-CHWSQXEVSA-N 2 0 269.389 1.226 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](C1CCCCC1)N(C)C ZINC000422888378 536596990 /nfs/dbraw/zinc/59/69/90/536596990.db2.gz CNAVHWRUHQPGHO-HZPDHXFCSA-N 2 0 285.476 1.840 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H](C)N1CCc2ccccc21 ZINC000422710964 536850459 /nfs/dbraw/zinc/85/04/59/536850459.db2.gz GOLPBYOJRLMUGC-HOCLYGCPSA-N 2 0 291.439 1.781 10 0 CDAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000333635139 545547286 /nfs/dbraw/zinc/54/72/86/545547286.db2.gz TTXXVOMRYNQVLB-WFASDCNBSA-N 2 0 294.443 1.158 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+]Cc2cccc3cnccc32)CC1 ZINC000397637044 574461076 /nfs/dbraw/zinc/46/10/76/574461076.db2.gz QNHFAYCARZCISV-UHFFFAOYSA-N 2 0 285.391 1.781 10 0 CDAERP S=C1OCCN1CN1CCC[C@H](n2ccnc2)C1 ZINC000738157815 574821862 /nfs/dbraw/zinc/82/18/62/574821862.db2.gz JIPMRRCXJRIZCN-NSHDSACASA-N 2 0 266.370 1.095 10 0 CDAERP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCC(C)=O)C1 ZINC000746676176 576788877 /nfs/dbraw/zinc/78/88/77/576788877.db2.gz UBVBWXLHCQPTHY-AWEZNQCLSA-N 2 0 256.390 1.398 10 0 CDAERP COCC[NH2+][C@H]1CCCCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001689271733 1175133318 /nfs/dbraw/zinc/13/33/18/1175133318.db2.gz PPLMJCFIRBGGTM-HNNXBMFYSA-N 2 0 297.443 1.089 10 0 CDAERP CC/C=C\CC[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001689887776 1175294822 /nfs/dbraw/zinc/29/48/22/1175294822.db2.gz PIMSTHSGCKCNOT-IYKSTZQJSA-N 2 0 281.444 1.733 10 0 CDAERP [NH3+][C@H]1C[C@H]([NH2+]CCCOCC2CCOCC2)C12CCC2 ZINC000925510961 617413616 /nfs/dbraw/zinc/41/36/16/617413616.db2.gz CVAQCWCVPQNKPB-GJZGRUSLSA-N 2 0 282.428 1.679 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@H]1CCCCO1 ZINC000926122442 617424828 /nfs/dbraw/zinc/42/48/28/617424828.db2.gz ONDHFDOQHHEGNG-PEUVFPKISA-N 2 0 252.402 1.875 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CO[C@@H](C)[C@@H]1C ZINC000926685840 617447036 /nfs/dbraw/zinc/44/70/36/617447036.db2.gz LZPKTKYGRZAHTQ-ZQDZILKHSA-N 2 0 271.449 1.271 10 0 CDAERP O[C@H](CN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)C[NH+]1CCCC1 ZINC000925614404 617559480 /nfs/dbraw/zinc/55/94/80/617559480.db2.gz WTICSEUSZNJNKQ-BRWVUGGUSA-N 2 0 295.471 1.201 10 0 CDAERP CC1(C)[C@H]([NH2+]CC2(CO)CCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925648181 617590808 /nfs/dbraw/zinc/59/08/08/617590808.db2.gz QBOIOIWLFKMDOW-FRRDWIJNSA-N 2 0 252.402 1.515 10 0 CDAERP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H]1CCc3nc[nH]c3C1)[NH2+]2 ZINC000925669098 617625352 /nfs/dbraw/zinc/62/53/52/617625352.db2.gz OYRWHYOUXJKMCY-OIRVYTLQSA-N 2 0 260.385 1.386 10 0 CDAERP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCc1cc(N)cc[nH+]1 ZINC000925769128 617626651 /nfs/dbraw/zinc/62/66/51/617626651.db2.gz YNPLXFCUOHBODY-MLGOLLRUSA-N 2 0 270.380 1.712 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925669925 617627946 /nfs/dbraw/zinc/62/79/46/617627946.db2.gz ZDZSMCIDNDMWFC-HZSPNIEDSA-N 2 0 253.434 1.966 10 0 CDAERP CC1(C)CCC[N@@H+]1CCN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925683950 617666820 /nfs/dbraw/zinc/66/68/20/617666820.db2.gz BRVSHFXSRWSOAQ-OLZOCXBDSA-N 2 0 251.418 1.720 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCC[C@@H](CO)C1 ZINC000925689731 617689053 /nfs/dbraw/zinc/68/90/53/617689053.db2.gz IFZKSERYOIWKLO-HYNPODSBSA-N 2 0 252.402 1.643 10 0 CDAERP C[C@H](N[C@@H]1C[NH2+]C[C@H]1C)c1cccc(OCC[NH+](C)C)c1 ZINC000925783020 617699617 /nfs/dbraw/zinc/69/96/17/617699617.db2.gz AWIFHNWMWWBEFA-JKIFEVAISA-N 2 0 291.439 1.886 10 0 CDAERP CC1(C)[C@H](N[C@H]2CCC[C@@H]([NH3+])C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925697977 617735215 /nfs/dbraw/zinc/73/52/15/617735215.db2.gz BQNFJVBJEGOUIQ-XHJNMGKDSA-N 2 0 251.418 1.623 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C12CCC2 ZINC000925703154 617764391 /nfs/dbraw/zinc/76/43/91/617764391.db2.gz CUJMSJOPZQDNRX-FJBKBRRZSA-N 3 0 292.471 1.062 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@@H](c2cncc(F)c2)C2CC2)CC1 ZINC000925816397 617772302 /nfs/dbraw/zinc/77/23/02/617772302.db2.gz GHVHVTOGOPXQKS-MRXNPFEDSA-N 2 0 292.402 1.685 10 0 CDAERP COC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)C1CCOCC1 ZINC000925704572 617776041 /nfs/dbraw/zinc/77/60/41/617776041.db2.gz HSFMZIDYXGLCGE-MJBXVCDLSA-N 2 0 268.401 1.288 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000925822793 617795079 /nfs/dbraw/zinc/79/50/79/617795079.db2.gz OMEMDOXSKNQUNG-DZGCQCFKSA-N 2 0 263.385 1.876 10 0 CDAERP C[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccn1 ZINC000925854825 617892700 /nfs/dbraw/zinc/89/27/00/617892700.db2.gz SNEBFSLKGPVWJX-OLZOCXBDSA-N 2 0 289.379 1.418 10 0 CDAERP COC(=O)C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)[C@@H]1C ZINC000925880384 617959714 /nfs/dbraw/zinc/95/97/14/617959714.db2.gz QMMIRWDUHQJZFM-PEBLQZBPSA-N 2 0 268.401 1.681 10 0 CDAERP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000925881622 617965741 /nfs/dbraw/zinc/96/57/41/617965741.db2.gz JYFKUMJBEXXPFH-CAOSSQGBSA-N 3 0 259.397 1.515 10 0 CDAERP C([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)[C@@H]1C[C@H]1C1CCOCC1 ZINC000925734443 618053340 /nfs/dbraw/zinc/05/33/40/618053340.db2.gz PSZOHTGBYYZVCP-HCCOSRNKSA-N 2 0 276.424 1.635 10 0 CDAERP CC[C@H]([NH3+])CNC(=O)C[C@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000841852076 618364348 /nfs/dbraw/zinc/36/43/48/618364348.db2.gz CLLPVKBGJZKRJK-QWRGUYRKSA-N 2 0 284.791 1.287 10 0 CDAERP O=C(NCCC[NH2+]C1CCCCC1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000896445626 620099791 /nfs/dbraw/zinc/09/97/91/620099791.db2.gz PYSLLWBKWLTODA-ZIAGYGMSSA-N 2 0 290.411 1.942 10 0 CDAERP C[C@@H]1CO[C@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1 ZINC000896622372 620170909 /nfs/dbraw/zinc/17/09/09/620170909.db2.gz FLLVSVIDABOBNQ-GJZGRUSLSA-N 2 0 299.459 1.143 10 0 CDAERP C[C@@H]1[C@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000925316976 621042310 /nfs/dbraw/zinc/04/23/10/621042310.db2.gz KLTKMVGOLJGPFV-QLFBSQMISA-N 2 0 294.443 1.349 10 0 CDAERP C[C@@H]([NH2+]CC[C@H]1CNC(=O)C1)c1cccc(C[NH+](C)C)c1 ZINC000926979927 621640695 /nfs/dbraw/zinc/64/06/95/621640695.db2.gz MWWNWAUIYDJQHS-ZIAGYGMSSA-N 2 0 289.423 1.925 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+]C2CC3(C2)CO[C@H](C)C3)CC1 ZINC000924671885 621648997 /nfs/dbraw/zinc/64/89/97/621648997.db2.gz QXHLKHKNHSBFOL-NUWOQIAWSA-N 2 0 295.471 1.560 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCOC2CCOCC2)[C@H]2CCC[C@@H]21 ZINC000927076604 621686236 /nfs/dbraw/zinc/68/62/36/621686236.db2.gz KFZBSVUNWHMDCN-PMPSAXMXSA-N 2 0 282.428 1.644 10 0 CDAERP c1c([C@@H]2CCC[NH2+]C2)nnn1C[C@@H]1CCCC[NH2+]C1 ZINC000899742317 622403245 /nfs/dbraw/zinc/40/32/45/622403245.db2.gz VUGPILDNNVGORQ-CHWSQXEVSA-N 2 0 263.389 1.135 10 0 CDAERP C[NH+](C)CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000899920137 622529460 /nfs/dbraw/zinc/52/94/60/622529460.db2.gz KYEWBYZJVUTMRR-QWHCGFSZSA-N 2 0 253.390 1.071 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000900803307 623506093 /nfs/dbraw/zinc/50/60/93/623506093.db2.gz ZJOXWVJXBCENBA-KBPBESRZSA-N 2 0 279.428 1.413 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902952496 625687229 /nfs/dbraw/zinc/68/72/29/625687229.db2.gz YTEPOYGVJZQVIV-SMLCLMEVSA-N 2 0 296.455 1.748 10 0 CDAERP C[N@@H+]1CCCC12CCN(C(=O)C13CC[NH+](CC1)C3)CC2 ZINC000901305600 624101221 /nfs/dbraw/zinc/10/12/21/624101221.db2.gz RWEOVLAUYUICMR-UHFFFAOYSA-N 2 0 277.412 1.169 10 0 CDAERP C[NH+]1CCC2(CCCN2C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000901288571 624118294 /nfs/dbraw/zinc/11/82/94/624118294.db2.gz VNCPNEITEUYLOZ-UHFFFAOYSA-N 2 0 277.412 1.169 10 0 CDAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902466802 624858984 /nfs/dbraw/zinc/85/89/84/624858984.db2.gz MXUCVXJVEVLBER-JLPXDJIOSA-N 2 0 299.418 1.725 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C2CC(CC(N)=O)C2)[C@@H]2CCC[C@H]21 ZINC000903253929 625930710 /nfs/dbraw/zinc/93/07/10/625930710.db2.gz PNDOJDBVIQQJKT-DMTXQYTPSA-N 2 0 265.401 1.103 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]C[C@]2(OC)CCSC2)[C@H](C)C1 ZINC000903311444 625969891 /nfs/dbraw/zinc/96/98/91/625969891.db2.gz UEXVRZGJSCBBGO-HZSPNIEDSA-N 2 0 272.458 1.828 10 0 CDAERP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000903383317 625981437 /nfs/dbraw/zinc/98/14/37/625981437.db2.gz LQOKSOZYEHAQCC-BMFZPTHFSA-N 2 0 276.428 1.614 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCN(C)c2ccccc2C1 ZINC000903443423 625997520 /nfs/dbraw/zinc/99/75/20/625997520.db2.gz BGFLNGINTCHHFN-HIFRSBDPSA-N 2 0 259.397 1.794 10 0 CDAERP Cc1nn(C)cc1[C@@H]1CCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903444905 625998591 /nfs/dbraw/zinc/99/85/91/625998591.db2.gz DNWHWIUSDQRTBS-ZLDLUXBVSA-N 2 0 262.401 1.721 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000903453687 626001011 /nfs/dbraw/zinc/00/10/11/626001011.db2.gz IBKJVANUMCFELM-APIJFGDWSA-N 3 0 251.418 1.306 10 0 CDAERP CC(C)Cc1ccccc1C[N@H+](C)C[C@H](O)C[NH3+] ZINC000903453944 626001746 /nfs/dbraw/zinc/00/17/46/626001746.db2.gz PYUUXRGBUSISTP-OAHLLOKOSA-N 2 0 250.386 1.637 10 0 CDAERP CCOC(=O)N[C@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903455491 626002076 /nfs/dbraw/zinc/00/20/76/626002076.db2.gz WTILOFOTZGEANF-AGIUHOORSA-N 2 0 269.389 1.324 10 0 CDAERP C[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCN1c1cc[nH+]cc1 ZINC000903482955 626006746 /nfs/dbraw/zinc/00/67/46/626006746.db2.gz ZZKFQZQUPFBVAX-ZNMIVQPWSA-N 3 0 274.412 1.720 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCCC(C)(F)F)C2 ZINC000903494570 626011333 /nfs/dbraw/zinc/01/13/33/626011333.db2.gz KBEVRLPEGWKPBV-WDMOLILDSA-N 2 0 290.354 1.634 10 0 CDAERP C[C@@H]1C[N@H+](Cc2cc(=O)n3ccccc3n2)C[C@H]1CC[NH3+] ZINC000903494501 626011460 /nfs/dbraw/zinc/01/14/60/626011460.db2.gz HDERIBMUOOLXQC-CHWSQXEVSA-N 2 0 286.379 1.111 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)Nc2ccc(O)cc2)C[C@H]1CC[NH3+] ZINC000903496437 626012118 /nfs/dbraw/zinc/01/21/18/626012118.db2.gz NQFFZPVCBDNUMA-VXGBXAGGSA-N 2 0 277.368 1.247 10 0 CDAERP C[C@]1([C@@H]2CCC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)COC(=O)N1 ZINC000903561263 626019350 /nfs/dbraw/zinc/01/93/50/626019350.db2.gz HUYPHEKPBTVUSP-GZBFAFLISA-N 2 0 281.400 1.197 10 0 CDAERP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCO[C@H](C)CC2)cc1 ZINC000903570273 626028311 /nfs/dbraw/zinc/02/83/11/626028311.db2.gz YHLONRRIDXGZDE-HIFRSBDPSA-N 2 0 278.396 1.848 10 0 CDAERP C([C@@H]1C[C@H]2COC[C@H]2O1)[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903784075 626093022 /nfs/dbraw/zinc/09/30/22/626093022.db2.gz KRKFYHWNYQXQST-CAOSSQGBSA-N 2 0 280.412 1.256 10 0 CDAERP C(CC1CC[NH2+]CC1)C[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903818939 626102741 /nfs/dbraw/zinc/10/27/41/626102741.db2.gz YWCCODFHEMCFEL-UHFFFAOYSA-N 3 0 295.471 1.611 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCC[C@@H](C)C2)cnn1C ZINC000903873644 626127628 /nfs/dbraw/zinc/12/76/28/626127628.db2.gz WCSGBHGBVJLXSR-OCCSQVGLSA-N 2 0 264.417 1.578 10 0 CDAERP O=C(NC1CC1)[C@H]1CCC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903883303 626131777 /nfs/dbraw/zinc/13/17/77/626131777.db2.gz HHZCAOPLDLLSDO-CHEQUFIKSA-N 2 0 277.412 1.260 10 0 CDAERP C[C@@H]1[C@H](C)SCCN1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903894619 626135230 /nfs/dbraw/zinc/13/52/30/626135230.db2.gz AQCGESXGLFUDPA-AGIUHOORSA-N 2 0 295.456 1.528 10 0 CDAERP CCC(C)(C)[NH2+]C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903898373 626137624 /nfs/dbraw/zinc/13/76/24/626137624.db2.gz KKBFGPBXPRUVSQ-LBPRGKRZSA-N 2 0 252.406 1.624 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCSCC[C@@H]2C)cnn1C ZINC000903908311 626142447 /nfs/dbraw/zinc/14/24/47/626142447.db2.gz GMVFTVFZDDBATA-GXTWGEPZSA-N 2 0 296.484 1.673 10 0 CDAERP CC[C@H]1C[N@H+](C[C@H](C[NH3+])Cc2cnn(C)c2C)CCCO1 ZINC000903908878 626142961 /nfs/dbraw/zinc/14/29/61/626142961.db2.gz AIUDLNIYNLLULV-HOCLYGCPSA-N 2 0 294.443 1.347 10 0 CDAERP Cc1c(C[C@H](C[NH3+])CN2CCCC[C@@H]2CC[NH3+])cnn1C ZINC000903915329 626144816 /nfs/dbraw/zinc/14/48/16/626144816.db2.gz AVTDPYDPMKQFJE-GDBMZVCRSA-N 2 0 293.459 1.049 10 0 CDAERP C(C[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)COC[C@@H]1CCCO1 ZINC000903922484 626147809 /nfs/dbraw/zinc/14/78/09/626147809.db2.gz XWUJATZSUVMOKE-UYTSQGDYSA-N 2 0 282.428 1.692 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[NH2+][C@]2(C)CC=CCC2)cnn1C ZINC000903929273 626150208 /nfs/dbraw/zinc/15/02/08/626150208.db2.gz CWVYEVFFIOBAPU-GOEBONIOSA-N 2 0 276.428 1.934 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@H+](C)C(C)(C)C)cnn1C ZINC000903931378 626151813 /nfs/dbraw/zinc/15/18/13/626151813.db2.gz CDHIHZLKZNXZSJ-GFCCVEGCSA-N 2 0 252.406 1.576 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)C[C@@H]2CC2(C)C)cnn1C ZINC000903933016 626152824 /nfs/dbraw/zinc/15/28/24/626152824.db2.gz JSLRRGMXMBWGCY-ZFWWWQNUSA-N 2 0 278.444 1.824 10 0 CDAERP O=C1[C@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)CCN1C1CCC1 ZINC000903936100 626154770 /nfs/dbraw/zinc/15/47/70/626154770.db2.gz YFEXJRFNLNJJTQ-QGZVFWFLSA-N 2 0 299.418 1.575 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[NH+]2CCC(F)CC2)cnn1C ZINC000903937121 626155297 /nfs/dbraw/zinc/15/52/97/626155297.db2.gz BPVJXJLGQPMRQV-LBPRGKRZSA-N 2 0 268.380 1.280 10 0 CDAERP [NH3+][C@H](CC(F)F)CN1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903960195 626159893 /nfs/dbraw/zinc/15/98/93/626159893.db2.gz YRVOOQVUPVEJDH-DGCLKSJQSA-N 2 0 261.360 1.435 10 0 CDAERP C[C@@H]1C[C@@H](C[NH2+]C2(c3ncccn3)CCC2)CC[NH2+]1 ZINC000903948413 626163907 /nfs/dbraw/zinc/16/39/07/626163907.db2.gz PVCMOFAGLODIBA-OLZOCXBDSA-N 2 0 260.385 1.834 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000903979074 626170418 /nfs/dbraw/zinc/17/04/18/626170418.db2.gz UVQJBFHAFFAEFT-OXGONZEZSA-N 3 0 265.445 1.742 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000903967490 626172268 /nfs/dbraw/zinc/17/22/68/626172268.db2.gz JZJRCUQFJYHINJ-CZUORRHYSA-N 2 0 274.408 1.999 10 0 CDAERP C[C@@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000903967417 626172291 /nfs/dbraw/zinc/17/22/91/626172291.db2.gz JHDUPZNRJRFLQC-CBBWQLFWSA-N 2 0 253.434 1.742 10 0 CDAERP C[C@H](CNC(=[NH2+])NC[C@H]1CCCS1)[NH+]1CCCC1 ZINC000905041581 626380885 /nfs/dbraw/zinc/38/08/85/626380885.db2.gz KTQBZHSYXGAOCW-VXGBXAGGSA-N 2 0 270.446 1.480 10 0 CDAERP CCC[NH2+][C@H](C)c1nc(CC2CC[NH2+]CC2)no1 ZINC000905313669 626744019 /nfs/dbraw/zinc/74/40/19/626744019.db2.gz MMRPRNWCRKRXCM-SNVBAGLBSA-N 2 0 252.362 1.672 10 0 CDAERP C(c1noc([C@H]2CC23CC[NH2+]CC3)n1)C1CC[NH2+]CC1 ZINC000905314481 626744383 /nfs/dbraw/zinc/74/43/83/626744383.db2.gz QMQSBHREYOSONW-GFCCVEGCSA-N 2 0 276.384 1.469 10 0 CDAERP F[C@H](c1nc(CC2CC[NH2+]CC2)no1)[C@H]1CC[NH2+]C1 ZINC000905309616 626758954 /nfs/dbraw/zinc/75/89/54/626758954.db2.gz ZNOBKLONMVAZFU-JQWIXIFHSA-N 2 0 268.336 1.232 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@]2(C)C[NH+]3CCC2CC3)C1 ZINC000912374822 629971110 /nfs/dbraw/zinc/97/11/10/629971110.db2.gz DDBNULLRAHIJOI-RHSMWYFYSA-N 2 0 293.455 1.709 10 0 CDAERP O=c1cc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc[nH]1 ZINC000921721212 633241485 /nfs/dbraw/zinc/24/14/85/633241485.db2.gz SWFOIVGOEZDJMH-AWEZNQCLSA-N 2 0 279.384 1.114 10 0 CDAERP CC[NH+]1CCC(CC[NH2+]Cc2cc[nH]c(=O)c2)CC1 ZINC000921785263 633292576 /nfs/dbraw/zinc/29/25/76/633292576.db2.gz YRSPJUPVWDEFFB-UHFFFAOYSA-N 2 0 263.385 1.999 10 0 CDAERP COC(=O)CC1(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)CC1 ZINC000923450204 693924627 /nfs/dbraw/zinc/92/46/27/693924627.db2.gz FHNYZJUIWGZCRT-CYBMUJFWSA-N 2 0 296.411 1.160 10 0 CDAERP CC[N@H+](C)Cc1cccc(CNC2=[NH+]CCCCN2)c1 ZINC000849215545 693935447 /nfs/dbraw/zinc/93/54/47/693935447.db2.gz PVCPMOHPMXPNSX-UHFFFAOYSA-N 2 0 274.412 1.967 10 0 CDAERP Cn1nnc2c1CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)C2 ZINC000925714723 693949313 /nfs/dbraw/zinc/94/93/13/693949313.db2.gz VQLLGHCOSFXEPV-GRYCIOLGSA-N 2 0 277.416 1.168 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc2c(c1)OCO2 ZINC000924538531 693951990 /nfs/dbraw/zinc/95/19/90/693951990.db2.gz CJSVCXAEOZFEPK-OCZCAGDBSA-N 2 0 274.364 1.845 10 0 CDAERP C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923301656 693987976 /nfs/dbraw/zinc/98/79/76/693987976.db2.gz JOFCIQARNRMJLE-CYBMUJFWSA-N 2 0 290.363 1.226 10 0 CDAERP NC(=O)CC1CC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000718465022 694024484 /nfs/dbraw/zinc/02/44/84/694024484.db2.gz RBIRNFNLFGEVAK-MMCPYJTDSA-N 2 0 279.428 1.541 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(O)Cc2ccccc2C1 ZINC000925106702 688206823 /nfs/dbraw/zinc/20/68/23/688206823.db2.gz KIQCLRUQRGFWOP-SJPCQFCGSA-N 2 0 286.419 1.446 10 0 CDAERP CCCCO[C@H]1C[C@H]([NH2+]CCN2CCC([NH3+])CC2)C1(C)C ZINC000925816214 688217360 /nfs/dbraw/zinc/21/73/60/688217360.db2.gz WYCMYNPJWJPWQR-HOTGVXAUSA-N 2 0 297.487 1.983 10 0 CDAERP C[C@@H]1C[C@@H]1NC(=[NH2+])NC1CC([NH+]2CCCCC2)C1 ZINC000864464774 688247730 /nfs/dbraw/zinc/24/77/30/688247730.db2.gz HFSYVGHANHBXFM-XVSSEFHLSA-N 2 0 250.390 1.526 10 0 CDAERP COC(CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)OC ZINC000851780244 688261291 /nfs/dbraw/zinc/26/12/91/688261291.db2.gz GCIGZUHXQYTULM-CYBMUJFWSA-N 2 0 256.390 1.413 10 0 CDAERP COC(=O)c1coc([C@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000925804023 688267854 /nfs/dbraw/zinc/26/78/54/688267854.db2.gz XYQXVFUYQOEQFX-GRYCIOLGSA-N 2 0 280.368 1.962 10 0 CDAERP CC[C@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)[C@@H]1CCCOC1 ZINC000872062241 688276998 /nfs/dbraw/zinc/27/69/98/688276998.db2.gz FBGNVCBPCMDSII-ZACQAIPSSA-N 2 0 297.487 1.807 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+][C@H]2CCOC3(CCCC3)C2)CC1 ZINC000397559566 688280363 /nfs/dbraw/zinc/28/03/63/688280363.db2.gz TYXXFFFHJVENGD-AWEZNQCLSA-N 2 0 282.428 1.525 10 0 CDAERP CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923498224 694187153 /nfs/dbraw/zinc/18/71/53/694187153.db2.gz KCPGNSZUBJKMBA-ZDEQEGDKSA-N 2 0 255.406 1.206 10 0 CDAERP NC(=O)c1ccc(CC[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000866661503 688299272 /nfs/dbraw/zinc/29/92/72/688299272.db2.gz QVQTXNCFGAGOBC-INIZCTEOSA-N 2 0 273.380 1.013 10 0 CDAERP C[C@H](Cn1cccn1)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925582460 688302125 /nfs/dbraw/zinc/30/21/25/688302125.db2.gz FLNONUXYHVUGIV-FRRDWIJNSA-N 2 0 250.390 1.767 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000925682873 688334633 /nfs/dbraw/zinc/33/46/33/688334633.db2.gz GZFYNEPVMTVVFG-GOZOTGFRSA-N 2 0 280.412 1.254 10 0 CDAERP CC1(C)C[C@@H]([NH2+]CCNc2ccccn2)C[C@@H]([NH3+])C1 ZINC000925624414 688335736 /nfs/dbraw/zinc/33/57/36/688335736.db2.gz XCMYNYMWNSDCNA-OLZOCXBDSA-N 2 0 262.401 1.989 10 0 CDAERP CC[C@@H](C)NC(=O)CC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925483229 688356210 /nfs/dbraw/zinc/35/62/10/688356210.db2.gz XIPJDBNBBSPPEF-UXOAXIEHSA-N 2 0 281.444 1.657 10 0 CDAERP C[N@H+](CCNC(=O)[C@]12CCC[C@H]1[NH2+]CC2)C1CCCC1 ZINC000711341777 688429981 /nfs/dbraw/zinc/42/99/81/688429981.db2.gz DJVGGQOMICFLQT-ZBFHGGJFSA-N 2 0 279.428 1.509 10 0 CDAERP C[C@@H](C(=O)Nc1ncccn1)[N@H+](C)CCCCCC[NH3+] ZINC000872155269 688471055 /nfs/dbraw/zinc/47/10/55/688471055.db2.gz PUETWRYDUCAIBP-LBPRGKRZSA-N 2 0 279.388 1.255 10 0 CDAERP COC(CC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)OC ZINC000851860871 688520063 /nfs/dbraw/zinc/52/00/63/688520063.db2.gz OKYVWGMRLJGKIL-MGPQQGTHSA-N 2 0 286.416 1.179 10 0 CDAERP C[C@H]([NH2+]CCc1nnc2ccccn21)[C@H]1CCC[NH2+]C1 ZINC000711037221 688589655 /nfs/dbraw/zinc/58/96/55/688589655.db2.gz VKAAYOKRQJIUQJ-STQMWFEESA-N 2 0 273.384 1.250 10 0 CDAERP CC(C)[C@H](CNC1=[NH+]CCCCN1)[NH+]1CCCC1 ZINC000849214937 688630620 /nfs/dbraw/zinc/63/06/20/688630620.db2.gz DFYPWUIUEVZPOR-ZDUSSCGKSA-N 2 0 252.406 1.436 10 0 CDAERP C[N@H+](CCCCCC[NH3+])[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000872154795 688647833 /nfs/dbraw/zinc/64/78/33/688647833.db2.gz AOOKMQSGOJRUSZ-CQSZACIVSA-N 2 0 281.375 1.803 10 0 CDAERP CC[NH+]1CCN([C@@H](C)C[NH2+]C[C@@]2(C)CCCS2)CC1 ZINC000862271444 688728384 /nfs/dbraw/zinc/72/83/84/688728384.db2.gz PMTUUJRBIOCHDF-LSDHHAIUSA-N 2 0 285.501 1.888 10 0 CDAERP CN1C[C@]2(C)C[NH+](CCC3OCCCO3)C[C@@]2(C)C1 ZINC000706988698 688753927 /nfs/dbraw/zinc/75/39/27/688753927.db2.gz XTAUGDBOVOHRPA-HUUCEWRRSA-N 2 0 268.401 1.413 10 0 CDAERP O=C(N[C@H]1CC[NH2+]C12CCCC2)C1CC[NH+](C2CC2)CC1 ZINC000843515048 688771604 /nfs/dbraw/zinc/77/16/04/688771604.db2.gz XTCBRMWWJSMCKJ-HNNXBMFYSA-N 2 0 291.439 1.652 10 0 CDAERP C[C@@H](C(=O)NCc1cccs1)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923500134 688819626 /nfs/dbraw/zinc/81/96/26/688819626.db2.gz OFDKENIWDLZDDO-FRRDWIJNSA-N 2 0 295.452 1.670 10 0 CDAERP C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCCCNC1=O ZINC000923310066 688830448 /nfs/dbraw/zinc/83/04/48/688830448.db2.gz CSAOSNDZQMYUPJ-DKUMPPAJSA-N 2 0 279.428 1.508 10 0 CDAERP C[C@](O)(C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2)c1ccc(F)cc1 ZINC000925631886 688848609 /nfs/dbraw/zinc/84/86/09/688848609.db2.gz YCTHLYXBRDRVAS-KKUMJFAQSA-N 2 0 278.371 1.893 10 0 CDAERP CN(CCC[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)CC[NH+](C)C ZINC000922274395 688849704 /nfs/dbraw/zinc/84/97/04/688849704.db2.gz DOPQUOMNCCZPTJ-SMLCLMEVSA-N 2 0 295.471 1.273 10 0 CDAERP CC(C)N1CCC[C@@H]([N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)C1=O ZINC000923495820 688849875 /nfs/dbraw/zinc/84/98/75/688849875.db2.gz FKWXEXKPHLISPW-MGPQQGTHSA-N 2 0 267.417 1.303 10 0 CDAERP C[N@@H+]1CCC[C@H](N2CC[NH+](CC3(O)CCCCC3)CC2)C1 ZINC000305235497 688872890 /nfs/dbraw/zinc/87/28/90/688872890.db2.gz NKTIEJYUTMJWLM-INIZCTEOSA-N 2 0 295.471 1.393 10 0 CDAERP C[C@H](NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+])C1CC[NH2+]CC1 ZINC000872310942 688879962 /nfs/dbraw/zinc/87/99/62/688879962.db2.gz SDUSCZKMZJIMGQ-YUTCNCBUSA-N 2 0 267.417 1.398 10 0 CDAERP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000872276652 688893753 /nfs/dbraw/zinc/89/37/53/688893753.db2.gz RZCWUKLGXCMTEW-YNLGZWBXSA-N 2 0 279.428 1.293 10 0 CDAERP C[N@H+](CCCCCC[NH3+])[C@H](C(N)=O)c1ccccc1 ZINC000872155445 688896951 /nfs/dbraw/zinc/89/69/51/688896951.db2.gz RYLIIMYFBMAMTP-AWEZNQCLSA-N 2 0 263.385 1.664 10 0 CDAERP C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923503694 694250825 /nfs/dbraw/zinc/25/08/25/694250825.db2.gz LAWMZNJQJKATSG-DGXTUMSLSA-N 2 0 295.471 1.987 10 0 CDAERP C[C@@H]1C[N@H+](Cc2cc(=O)n3ccsc3n2)CC[C@H]1C[NH3+] ZINC000923502593 694295683 /nfs/dbraw/zinc/29/56/83/694295683.db2.gz CHKNNVQVEGEHBC-MNOVXSKESA-N 2 0 292.408 1.173 10 0 CDAERP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C=C1CC[NH2+]CC1 ZINC000852869982 694310847 /nfs/dbraw/zinc/31/08/47/694310847.db2.gz NLVAOKFEOFRDGV-OAHLLOKOSA-N 2 0 279.428 1.629 10 0 CDAERP CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CCCCCC[NH3+] ZINC000846218734 694311483 /nfs/dbraw/zinc/31/14/83/694311483.db2.gz SJDXHZLCQIMLFX-CQSZACIVSA-N 2 0 269.433 1.838 10 0 CDAERP C[C@H]1COC[C@H](C)C1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000926113053 694317233 /nfs/dbraw/zinc/31/72/33/694317233.db2.gz BIFPZDSMAZPQSR-STQMWFEESA-N 2 0 254.418 1.979 10 0 CDAERP CC[C@@H]([NH2+]CCOCC[NH2+]C)c1ccc2c(c1)CCO2 ZINC000863543415 694379130 /nfs/dbraw/zinc/37/91/30/694379130.db2.gz OHMJLUBVPSQBSA-OAHLLOKOSA-N 2 0 278.396 1.898 10 0 CDAERP C[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1cnn(C)c1 ZINC000925846895 694380568 /nfs/dbraw/zinc/38/05/68/694380568.db2.gz VDONYTNQVWWZCQ-CQSZACIVSA-N 2 0 279.432 1.146 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000852878516 694384319 /nfs/dbraw/zinc/38/43/19/694384319.db2.gz PJOZNTHQOIIIJC-GOEBONIOSA-N 2 0 281.444 1.600 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CCNC(=O)OC(C)(C)C)CC1(C)C ZINC000858117330 694411479 /nfs/dbraw/zinc/41/14/79/694411479.db2.gz KKPXXLKIJRVZJL-GFCCVEGCSA-N 2 0 285.432 1.974 10 0 CDAERP Cn1nnc2c1C[C@H]([NH2+][C@H]1C[C@H]([NH3+])c3ccccc31)CC2 ZINC000925893427 694412973 /nfs/dbraw/zinc/41/29/73/694412973.db2.gz NTMWEBNMLAXGDW-DGFSRKRXSA-N 2 0 283.379 1.407 10 0 CDAERP Cc1nccn1CC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925535110 694415114 /nfs/dbraw/zinc/41/51/14/694415114.db2.gz SYUKPGYNLBAOCB-HOTGVXAUSA-N 2 0 276.428 1.949 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001691157651 1158938259 /nfs/dbraw/zinc/93/82/59/1158938259.db2.gz YDDPURYHUVWYMG-MRXNPFEDSA-N 2 0 293.455 1.877 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@@H]1C[C@@H]3CCC[C@@H]3O1)C2 ZINC000720788407 694458276 /nfs/dbraw/zinc/45/82/76/694458276.db2.gz KVFCUHWLSFUYEH-LOVFCKMRSA-N 2 0 250.386 1.756 10 0 CDAERP Cc1cc(CN2CC[NH2+]CC[NH2+]CC2)c2ccccc2n1 ZINC000923463520 692124150 /nfs/dbraw/zinc/12/41/50/692124150.db2.gz TZJSLTJOIJCOHD-UHFFFAOYSA-N 2 0 284.407 1.538 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925817377 692153854 /nfs/dbraw/zinc/15/38/54/692153854.db2.gz QYGRALZJDCUCGE-DLBZAZTESA-N 3 0 294.487 1.167 10 0 CDAERP CC1(C)[C@@H]([NH2+]CCNC(=O)c2ccco2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925521042 692179485 /nfs/dbraw/zinc/17/94/85/692179485.db2.gz XIRMWRLBHZCVPF-XBFCOCLRSA-N 2 0 291.395 1.376 10 0 CDAERP C[NH+]1C[C@]2(C)CN(C[C@H]3CCC[N@@H+]3C)C[C@@]2(C)C1 ZINC000931315667 694509663 /nfs/dbraw/zinc/50/96/63/694509663.db2.gz ZAVGKPPZJZRTNZ-RBSFLKMASA-N 2 0 251.418 1.354 10 0 CDAERP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)C1 ZINC000924965017 692189034 /nfs/dbraw/zinc/18/90/34/692189034.db2.gz MWDIOYBTUKXPFH-FZKCQIBNSA-N 2 0 291.439 1.518 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)N2CCCCCC2)C[C@H]1CC[NH3+] ZINC000723894525 692203271 /nfs/dbraw/zinc/20/32/71/692203271.db2.gz MIMFEZOWFVYXJZ-ZIAGYGMSSA-N 2 0 267.417 1.306 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCc2cn(C)nn2)[C@@H](C)C1 ZINC000859196115 692262718 /nfs/dbraw/zinc/26/27/18/692262718.db2.gz LJZMSOOLNIZHBA-JSGCOSHPSA-N 2 0 265.405 1.020 10 0 CDAERP COCC1CC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000714005097 692288501 /nfs/dbraw/zinc/28/85/01/692288501.db2.gz GXYJYFPPPBLJNH-IPOFZDNWSA-N 2 0 252.402 1.922 10 0 CDAERP C[C@H]1CN(C(=[NH2+])NCCC[N@@H+]2CCCC[C@@H]2C)CCO1 ZINC000848982355 692303762 /nfs/dbraw/zinc/30/37/62/692303762.db2.gz LSZXGKMRAVNADH-KBPBESRZSA-N 2 0 282.432 1.496 10 0 CDAERP CC1(C)[C@H]([NH2+]C2CC(CC(N)=O)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925825351 692307333 /nfs/dbraw/zinc/30/73/33/692307333.db2.gz ZNROEUYAJHJJAD-QQSZNMHZSA-N 2 0 265.401 1.007 10 0 CDAERP C[C@@H]1[C@H](NC(=O)[C@@H]2CCN2C(C)(C)C)CC[N@@H+]1C ZINC000928429734 692354668 /nfs/dbraw/zinc/35/46/68/692354668.db2.gz DKMJOILSRUFOLJ-UTUOFQBUSA-N 2 0 253.390 1.068 10 0 CDAERP CCO[C@@H]1C[N@H+](C[C@@H]2CC[C@@H](C3CC3)O2)C[C@H]1C[NH3+] ZINC000715397963 692364899 /nfs/dbraw/zinc/36/48/99/692364899.db2.gz XXVPIKOUQZVOTP-CBBWQLFWSA-N 2 0 268.401 1.240 10 0 CDAERP [NH3+]CCCOC1CC[NH+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CC1 ZINC000720887456 692383383 /nfs/dbraw/zinc/38/33/83/692383383.db2.gz FIPLBTWKIGYJAX-BPUTZDHNSA-N 2 0 282.428 1.774 10 0 CDAERP [NH3+]CCCCCCC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000842475030 694519182 /nfs/dbraw/zinc/51/91/82/694519182.db2.gz IATUGETZESSIAW-HNNXBMFYSA-N 3 0 253.434 1.971 10 0 CDAERP CCOCCC[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720826703 692431832 /nfs/dbraw/zinc/43/18/32/692431832.db2.gz GQERZXFWWPBWQS-UWVGGRQHSA-N 2 0 254.296 1.482 10 0 CDAERP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)[C@]1(F)CC[NH2+]C1 ZINC000841851872 692467079 /nfs/dbraw/zinc/46/70/79/692467079.db2.gz ZJQWCYPNDMPHTN-AWEZNQCLSA-N 2 0 281.306 1.112 10 0 CDAERP Cc1cc([C@H]([NH3+])CC(=O)NC(C)(C)CC[NH3+])cc(Cl)n1 ZINC000817858868 692504920 /nfs/dbraw/zinc/50/49/20/692504920.db2.gz CIVFERZTCNEZMZ-LLVKDONJSA-N 2 0 298.818 1.677 10 0 CDAERP c1csc([C@H]2CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000710439816 692510478 /nfs/dbraw/zinc/51/04/78/692510478.db2.gz GKVAZNWZBSYRCG-NEPJUHHUSA-N 2 0 251.399 1.932 10 0 CDAERP c1nc2n(c1C[NH2+]Cc1ccc3c[nH+]cn3c1)CCOC2 ZINC000922179743 692538913 /nfs/dbraw/zinc/53/89/13/692538913.db2.gz YYFITEMRTYAVBU-UHFFFAOYSA-N 2 0 283.335 1.351 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000925827608 694538444 /nfs/dbraw/zinc/53/84/44/694538444.db2.gz QTKJFBFQALZLDF-GZBFAFLISA-N 2 0 264.417 1.790 10 0 CDAERP FCCn1cc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000921550048 692618638 /nfs/dbraw/zinc/61/86/38/692618638.db2.gz NXGWBCHPBVEIHF-KGLIPLIRSA-N 2 0 266.364 1.569 10 0 CDAERP CN(CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](O)C1(O)CCCC1 ZINC000929722750 692618104 /nfs/dbraw/zinc/61/81/04/692618104.db2.gz PGWOSKJZOIDYGC-LSDHHAIUSA-N 2 0 284.444 1.459 10 0 CDAERP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CC[C@H](C2CC2)O1 ZINC000722315093 694540292 /nfs/dbraw/zinc/54/02/92/694540292.db2.gz MNMPRMNQINREQI-MJBXVCDLSA-N 2 0 252.402 1.922 10 0 CDAERP C[C@@H](NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C)C(C)(C)C[NH+](C)C ZINC000921388273 692655399 /nfs/dbraw/zinc/65/53/99/692655399.db2.gz DVXGSIQJQDWVMW-UPJWGTAASA-N 2 0 284.448 1.355 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)C1 ZINC000870951633 692674626 /nfs/dbraw/zinc/67/46/26/692674626.db2.gz VJOZAQWVTGJVJW-JYYAWHABSA-N 2 0 291.439 1.352 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000854229053 692760567 /nfs/dbraw/zinc/76/05/67/692760567.db2.gz HDRDADXQNKAVPE-RVMXOQNASA-N 2 0 274.355 1.908 10 0 CDAERP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000870896737 692820657 /nfs/dbraw/zinc/82/06/57/692820657.db2.gz ZGCZDOKLUPKOJM-IVSAIRAKSA-N 2 0 291.439 1.304 10 0 CDAERP CCCC[N@H+](C)CC1CC[NH+](C[C@@H](O)C2(O)CCC2)CC1 ZINC000929295323 692829490 /nfs/dbraw/zinc/82/94/90/692829490.db2.gz GAZDSPFBRJRCRV-MRXNPFEDSA-N 2 0 298.471 1.706 10 0 CDAERP COC(=O)CC1(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)CC1 ZINC000923492291 692835433 /nfs/dbraw/zinc/83/54/33/692835433.db2.gz BIZIZYIWAHEQGV-NWDGAFQWSA-N 2 0 254.374 1.246 10 0 CDAERP Clc1cncc(Cl)c1CN1CC[NH2+]CC[NH2+]CC1 ZINC000923460761 692850078 /nfs/dbraw/zinc/85/00/78/692850078.db2.gz QRLIPHNBTJCXEP-UHFFFAOYSA-N 2 0 289.210 1.383 10 0 CDAERP C[C@H](CNC(=O)N[C@H]1CC[NH2+]C[C@H]1C)[NH+]1CCCCC1 ZINC000841725332 692850554 /nfs/dbraw/zinc/85/05/54/692850554.db2.gz MHXNPJTWGSCSFU-MCIONIFRSA-N 2 0 282.432 1.158 10 0 CDAERP FC1(F)CC12CC[NH+](C[C@H]1CC3(C[NH2+]C3)CO1)CC2 ZINC000923387990 692885163 /nfs/dbraw/zinc/88/51/63/692885163.db2.gz PXKQVXGYEPNAME-LLVKDONJSA-N 2 0 272.339 1.486 10 0 CDAERP CC1(C)C[C@@H]([NH2+]C[C@H]2CN(C3CC3)C(=O)O2)C[C@@H]([NH3+])C1 ZINC000925714259 692891518 /nfs/dbraw/zinc/89/15/18/692891518.db2.gz OTXWZPAZYYCEFI-MDZLAQPJSA-N 2 0 281.400 1.465 10 0 CDAERP C[C@@H]1[NH2+]CCC[C@H]1NCC[C@H]([NH3+])Cc1ccccc1 ZINC000925725052 692900932 /nfs/dbraw/zinc/90/09/32/692900932.db2.gz GLMNUJLHMWYJAG-CWRNSKLLSA-N 2 0 261.413 1.677 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)[C@@H](C)C1 ZINC000872285830 692932552 /nfs/dbraw/zinc/93/25/52/692932552.db2.gz JAMHEMSXGCMLQC-RGHULWKBSA-N 2 0 279.428 1.303 10 0 CDAERP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1)NCC1CC1 ZINC000923504312 692946314 /nfs/dbraw/zinc/94/63/14/692946314.db2.gz XAOUAEQVLUSHFK-OAHLLOKOSA-N 2 0 293.455 1.614 10 0 CDAERP C[C@H](N[C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000925884047 692952385 /nfs/dbraw/zinc/95/23/85/692952385.db2.gz QPPXHOHGHGMRQW-QMCVQRASSA-N 2 0 273.424 1.776 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)CCC23CC(C2)C[NH2+]3)cc1 ZINC000870937657 692966571 /nfs/dbraw/zinc/96/65/71/692966571.db2.gz PFWXQHYJWFLCTL-MKQDKFQKSA-N 2 0 287.407 1.855 10 0 CDAERP CC[C@@H]([NH2+]CCN1CCC([NH3+])CC1)C1CCCC1 ZINC000925817904 692977925 /nfs/dbraw/zinc/97/79/25/692977925.db2.gz XJLMMHSNVUWMSN-OAHLLOKOSA-N 2 0 253.434 1.968 10 0 CDAERP CC(C)(O)CN1CC[C@H]([NH2+]C2CC(CF)(CF)C2)C1 ZINC000866412238 692989159 /nfs/dbraw/zinc/98/91/59/692989159.db2.gz FSKLIFCDFLRZHN-NSHDSACASA-N 2 0 276.371 1.509 10 0 CDAERP COCC1CC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000714005096 692993570 /nfs/dbraw/zinc/99/35/70/692993570.db2.gz GXYJYFPPPBLJNH-CLACGNGHSA-N 2 0 252.402 1.922 10 0 CDAERP CC[C@@H]1C[N@H+](CC)CCN1C(=O)N[C@H]1CC[NH+](C)[C@@H]1C ZINC000925344130 693008788 /nfs/dbraw/zinc/00/87/88/693008788.db2.gz YPXGMVUCTGQDKC-MCIONIFRSA-N 2 0 282.432 1.205 10 0 CDAERP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)CCC2(O)CCC2)C1 ZINC000929791242 693023726 /nfs/dbraw/zinc/02/37/26/693023726.db2.gz QRIZTCSXJPVCMM-CABCVRRESA-N 2 0 284.444 1.316 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccnc1-n1ccnc1 ZINC000817898210 693032702 /nfs/dbraw/zinc/03/27/02/693032702.db2.gz FVWQRMGVSUBFBW-ZFWWWQNUSA-N 2 0 285.395 1.874 10 0 CDAERP CC1CC[NH+](CCCCNC(=[NH2+])N2CCO[C@H](C)C2)CC1 ZINC000848989135 693033544 /nfs/dbraw/zinc/03/35/44/693033544.db2.gz AHUPFPSSIBSJGK-OAHLLOKOSA-N 2 0 296.459 1.744 10 0 CDAERP C[C@@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)C1CC[NH+](C)CC1 ZINC000866534736 693040617 /nfs/dbraw/zinc/04/06/17/693040617.db2.gz YCZBQNKWODXTLS-GDBMZVCRSA-N 2 0 296.455 1.892 10 0 CDAERP C[C@H]1C[C@@H]1NC(=[NH2+])NCc1cccc(OCC[NH+](C)C)c1 ZINC000864452491 693073262 /nfs/dbraw/zinc/07/32/62/693073262.db2.gz HKHZZIVFDMAEAL-WFASDCNBSA-N 2 0 290.411 1.649 10 0 CDAERP CN(CCC[NH+]1CCCC1)C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844324507 693088780 /nfs/dbraw/zinc/08/87/80/693088780.db2.gz ISNBXQBVFSWOBL-CQSZACIVSA-N 2 0 281.400 1.387 10 0 CDAERP C[C@H](CNC(=[NH2+])N[C@H]1C[C@@H]1C)C[NH+]1CCCCC1 ZINC000864455102 694636247 /nfs/dbraw/zinc/63/62/47/694636247.db2.gz GQIDAMNNHAQZRQ-AGIUHOORSA-N 2 0 252.406 1.631 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000720804293 693105596 /nfs/dbraw/zinc/10/55/96/693105596.db2.gz ISLWWIHVQJGFEX-HZSPNIEDSA-N 2 0 256.390 1.112 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925667139 693175000 /nfs/dbraw/zinc/17/50/00/693175000.db2.gz ANQYELONRNAAJF-MELADBBJSA-N 2 0 251.418 1.720 10 0 CDAERP CC(C)[C@H]([NH3+])CC[NH2+]C1CCC2(CC1)OCCO2 ZINC000854230338 693177401 /nfs/dbraw/zinc/17/74/01/693177401.db2.gz NLRFVOHMIDBLOK-CYBMUJFWSA-N 2 0 256.390 1.635 10 0 CDAERP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H]3C[C@@H]4COC[C@@H]4O3)CC[C@@H]21 ZINC000929847680 693210368 /nfs/dbraw/zinc/21/03/68/693210368.db2.gz NDLHWBYDTIHSDX-OWYFMNJBSA-N 2 0 280.412 1.206 10 0 CDAERP CC1(C)[C@H]([NH3+])c2ccccc2N1C(=O)[C@@H]1CCC[NH2+]1 ZINC000867986593 693263380 /nfs/dbraw/zinc/26/33/80/693263380.db2.gz DFBCKXQEAFYONN-WCQYABFASA-N 2 0 259.353 1.564 10 0 CDAERP CCS(=O)(=O)CC[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000819185505 694587983 /nfs/dbraw/zinc/58/79/83/694587983.db2.gz PFIOPRYWIJTMNM-UHFFFAOYSA-N 2 0 276.446 1.131 10 0 CDAERP Cc1cn(C)nc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000723972040 693286416 /nfs/dbraw/zinc/28/64/16/693286416.db2.gz WHORTFVAEDSAOO-CQSZACIVSA-N 2 0 262.401 1.693 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000711022259 693298350 /nfs/dbraw/zinc/29/83/50/693298350.db2.gz IICFWTFQPUHRAM-AAVRWANBSA-N 2 0 265.401 1.199 10 0 CDAERP C[NH+](C)CCC1CC[NH+](C[C@H](O)CCC2(O)CCC2)CC1 ZINC000929328551 693315794 /nfs/dbraw/zinc/31/57/94/693315794.db2.gz XWPKRAUITCEJIX-MRXNPFEDSA-N 2 0 298.471 1.706 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+](C)CC[C@@H]3C2)CC[N@@H+]1C ZINC000868450139 693358848 /nfs/dbraw/zinc/35/88/48/693358848.db2.gz BKOFPTICFPRTQK-CBBWQLFWSA-N 2 0 279.428 1.127 10 0 CDAERP CCCC[N@H+](C)CCNC(=[NH2+])N1CC[C@H](CC)C1 ZINC000864457268 693331914 /nfs/dbraw/zinc/33/19/14/693331914.db2.gz CDMKPMGCNACCRO-ZDUSSCGKSA-N 2 0 254.422 1.975 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCC23CCOCC3)C1 ZINC000848557683 693347278 /nfs/dbraw/zinc/34/72/78/693347278.db2.gz IZGIDKYHMONPOX-MJBXVCDLSA-N 2 0 252.402 1.875 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CCN(CCCCS(C)(=O)=O)C1 ZINC000866705524 693370966 /nfs/dbraw/zinc/37/09/66/693370966.db2.gz BKXFANZYLWKUPZ-CQSZACIVSA-N 2 0 290.473 1.508 10 0 CDAERP COc1coc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cc1=O ZINC000923501067 694661402 /nfs/dbraw/zinc/66/14/02/694661402.db2.gz YWIJWTDLGHZWNI-GHMZBOCLSA-N 2 0 266.341 1.065 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)cc1 ZINC000870938180 693396489 /nfs/dbraw/zinc/39/64/89/693396489.db2.gz ZCFWJHVBTRAWKN-TXKWRHDYSA-N 2 0 273.380 1.450 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)c2ccc(C[NH3+])cc2)C1 ZINC000870993718 693397946 /nfs/dbraw/zinc/39/79/46/693397946.db2.gz KZPWSZCPDRGKBO-KRWDZBQOSA-N 2 0 289.423 1.982 10 0 CDAERP CN1C[C@H](CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1=O ZINC000723581743 693405952 /nfs/dbraw/zinc/40/59/52/693405952.db2.gz GPKKMDWDNCLUEI-HZSPNIEDSA-N 2 0 265.401 1.071 10 0 CDAERP O=C(CCC12CC(C1)C[NH2+]2)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000870914189 693408511 /nfs/dbraw/zinc/40/85/11/693408511.db2.gz KOOFKHYRMJTBIT-GULBITTBSA-N 2 0 291.439 1.367 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000926719872 694687952 /nfs/dbraw/zinc/68/79/52/694687952.db2.gz XZRKVEFPUXCUFH-ZNUWXHPXSA-N 2 0 293.455 1.563 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@H](O)c2cccc(F)c2)C1 ZINC000848676362 693427886 /nfs/dbraw/zinc/42/78/86/693427886.db2.gz LPQVGMAFHYFFMM-GLQYFDAESA-N 2 0 266.360 1.789 10 0 CDAERP C[C@H]1CCC[N@H+](CCCCNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000870867527 694697976 /nfs/dbraw/zinc/69/79/76/694697976.db2.gz PCFGIFJHMVTCHG-IVSAIRAKSA-N 2 0 293.455 1.742 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)NCCCCCC[NH3+] ZINC000846178637 693439584 /nfs/dbraw/zinc/43/95/84/693439584.db2.gz JMCKVVVXIOQCCL-UHFFFAOYSA-N 2 0 292.427 1.724 10 0 CDAERP CN(C)[C@@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C(F)(F)F ZINC000925837069 694700247 /nfs/dbraw/zinc/70/02/47/694700247.db2.gz NIUGQMMJFGYPAK-MBYGNEARSA-N 2 0 279.350 1.742 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC[N@@H+]1C ZINC000866365302 693469023 /nfs/dbraw/zinc/46/90/23/693469023.db2.gz UWLXIAAUFLQEKV-CBBWQLFWSA-N 2 0 281.444 1.706 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+]CC(C)(C)CS(C)(=O)=O ZINC000723878157 694770714 /nfs/dbraw/zinc/77/07/14/694770714.db2.gz FSLOSDVBHHVMMZ-LLVKDONJSA-N 2 0 264.435 1.164 10 0 CDAERP CS/C=C/C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870020209 693474798 /nfs/dbraw/zinc/47/47/98/693474798.db2.gz HVYLEEQOQWIQGR-AMRKSYTLSA-N 2 0 285.457 1.061 10 0 CDAERP CCn1nc(C)c([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)n1 ZINC000926667361 694762717 /nfs/dbraw/zinc/76/27/17/694762717.db2.gz ZBURNBUKAUOABN-WCFLWFBJSA-N 2 0 265.405 1.597 10 0 CDAERP C[N@@H+]1CCCC(C)(C)[C@H]1CNC1=[NH+]CCCCN1 ZINC000849216999 694797558 /nfs/dbraw/zinc/79/75/58/694797558.db2.gz UDHAUBAUJXDATM-GFCCVEGCSA-N 2 0 252.406 1.436 10 0 CDAERP C[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)CC[C@H]1C[NH3+] ZINC000923490462 694806596 /nfs/dbraw/zinc/80/65/96/694806596.db2.gz CRQPLVKLBLIKSU-UTLUCORTSA-N 2 0 254.296 1.216 10 0 CDAERP CN1CC[NH+](CCCC[NH2+][C@H]2CCCc3cn[nH]c32)CC1 ZINC000857846717 694810902 /nfs/dbraw/zinc/81/09/02/694810902.db2.gz FWNKLWUCPQNOCX-HNNXBMFYSA-N 2 0 291.443 1.404 10 0 CDAERP CC(C)(C)OC(=O)[C@H]1C[C@H](NC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000872246921 694817550 /nfs/dbraw/zinc/81/75/50/694817550.db2.gz HJVLUQJYUHSQNF-MGPQQGTHSA-N 2 0 298.427 1.153 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+]Cc1cn(C)nc1Br ZINC000720640173 694827285 /nfs/dbraw/zinc/82/72/85/694827285.db2.gz SMHPEIUOQZVBAY-SECBINFHSA-N 2 0 289.221 1.790 10 0 CDAERP CC[C@@H](C[C@@](C)(O)CC)[NH2+]CCCN1CCC(O)CC1 ZINC000924752690 694620348 /nfs/dbraw/zinc/62/03/48/694620348.db2.gz CMBBBZNUAKTNCN-HOCLYGCPSA-N 2 0 286.460 1.753 10 0 CDAERP COc1ccc(C[C@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cn1 ZINC000925775879 694637662 /nfs/dbraw/zinc/63/76/62/694637662.db2.gz HWOMMVBDCATGSI-WCQYABFASA-N 2 0 299.365 1.856 10 0 CDAERP COCCOCCC[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000924581524 694722112 /nfs/dbraw/zinc/72/21/12/694722112.db2.gz CTEIGXAOPKJKHA-LSDHHAIUSA-N 2 0 270.417 1.646 10 0 CDAERP COCCN(C)C(=[NH2+])NC1CC([NH+]2CCCCC2)C1 ZINC000871606376 694739822 /nfs/dbraw/zinc/73/98/22/694739822.db2.gz NCVJBWSRYARLQB-UHFFFAOYSA-N 2 0 268.405 1.106 10 0 CDAERP C[C@H](CN[C@H]1CCC[N@@H+]2CCCC[C@H]12)C[NH+](C)C ZINC000926475679 694785056 /nfs/dbraw/zinc/78/50/56/694785056.db2.gz VJZLKTYTIHZHTA-QLFBSQMISA-N 2 0 253.434 1.791 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711383258 694819320 /nfs/dbraw/zinc/81/93/20/694819320.db2.gz WFSKJGCPDKATCP-RDBSUJKOSA-N 2 0 279.428 1.317 10 0 CDAERP C[C@H]1[NH2+]CCC[C@H]1NCCc1cccc2c1OCCO2 ZINC000925874783 694835716 /nfs/dbraw/zinc/83/57/16/694835716.db2.gz NESLBCGZAARRHW-TZMCWYRMSA-N 2 0 276.380 1.730 10 0 CDAERP c1[nH]nc2c1[C@H]([NH2+]C[C@]13CCC[C@H]1[NH2+]CC3)CCC2 ZINC000925836568 694837055 /nfs/dbraw/zinc/83/70/55/694837055.db2.gz AGTGYHJZQULUEF-BPLDGKMQSA-N 2 0 260.385 1.909 10 0 CDAERP CC1(C)[C@H](NC[C@@H]2CCC[N@@H+]2CCCO)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925678421 694841085 /nfs/dbraw/zinc/84/10/85/694841085.db2.gz DWXKPRZYUVDDBE-XUWVNRHRSA-N 2 0 295.471 1.199 10 0 CDAERP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccccc1F ZINC000925811089 694847506 /nfs/dbraw/zinc/84/75/06/694847506.db2.gz QRIBKBYSEHECMJ-GFCCVEGCSA-N 2 0 265.376 1.899 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000842007247 694848493 /nfs/dbraw/zinc/84/84/93/694848493.db2.gz SAKJHEFSWPMIFC-OLZOCXBDSA-N 2 0 292.427 1.625 10 0 CDAERP COCC(C)(C)CC[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000872104809 694853843 /nfs/dbraw/zinc/85/38/43/694853843.db2.gz QGJACVZNGXYFNA-HNNXBMFYSA-N 2 0 284.444 1.892 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc(F)cc2)C12CCC2 ZINC000925536288 694854038 /nfs/dbraw/zinc/85/40/38/694854038.db2.gz CHZSNQOTYCBTMT-MCIONIFRSA-N 2 0 264.344 1.719 10 0 CDAERP CC1(C)[C@@H](NC[C@H]2CCC[NH2+]C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925691667 694855548 /nfs/dbraw/zinc/85/55/48/694855548.db2.gz JKXIENFNQPHVLZ-CRWXNKLISA-N 2 0 251.418 1.352 10 0 CDAERP C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)CC1 ZINC000879009419 694858761 /nfs/dbraw/zinc/85/87/61/694858761.db2.gz XMFOWQPAVQHPKM-HOCLYGCPSA-N 2 0 293.455 1.851 10 0 CDAERP [NH3+]CC[C@H]1CCCN(C(=O)CCC23CC(C2)C[NH2+]3)C1 ZINC000870942679 694858995 /nfs/dbraw/zinc/85/89/95/694858995.db2.gz SBBRNFYRJDKQCX-DNOWBOINSA-N 2 0 265.401 1.106 10 0 CDAERP C[NH+](C)CCC[C@@H]1CN(C(=O)CCCCC[NH3+])CCO1 ZINC000852925108 694860829 /nfs/dbraw/zinc/86/08/29/694860829.db2.gz ZPBZKJTZEBTCRQ-CQSZACIVSA-N 2 0 285.432 1.075 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCC1SCCS1 ZINC000854231337 694861813 /nfs/dbraw/zinc/86/18/13/694861813.db2.gz JZIHDHINHHFQPN-GARJFASQSA-N 2 0 276.471 1.525 10 0 CDAERP [NH3+]CCCCCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000846220300 694866921 /nfs/dbraw/zinc/86/69/21/694866921.db2.gz ODFWCDJKTZGGKA-CABCVRRESA-N 3 0 253.434 1.970 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCCN2CCSC[C@@H]12 ZINC000720494937 694877582 /nfs/dbraw/zinc/87/75/82/694877582.db2.gz JTZQBDZOXWWLQR-RDBSUJKOSA-N 2 0 271.474 1.673 10 0 CDAERP C[C@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH+]1CCCC1 ZINC000810093551 694885009 /nfs/dbraw/zinc/88/50/09/694885009.db2.gz HMBGXXIZTITJBJ-CZUORRHYSA-N 2 0 299.434 1.799 10 0 CDAERP O[C@H](COc1ccccc1)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000923414224 694886558 /nfs/dbraw/zinc/88/65/58/694886558.db2.gz KOSAYOKTDBEJOQ-HLLBOEOZSA-N 2 0 290.407 1.500 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925552763 694888353 /nfs/dbraw/zinc/88/83/53/694888353.db2.gz YZKUHGIOUVZLOK-MCIONIFRSA-N 2 0 251.418 1.720 10 0 CDAERP Cc1ccc(OCC[N@@H+](C)[C@H]2C[C@H]([NH3+])C[C@@H]2O)cc1 ZINC000923301373 694888848 /nfs/dbraw/zinc/88/88/48/694888848.db2.gz IXTAOGOXRVITAS-QEJZJMRPSA-N 2 0 264.369 1.156 10 0 CDAERP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)C(C)(C)CO)CC1 ZINC000924666800 695078496 /nfs/dbraw/zinc/07/84/96/695078496.db2.gz DPRRRZUZTPBOQF-UONOGXRCSA-N 2 0 271.449 1.009 10 0 CDAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC[C@@H]1CC(=O)N(C)C1 ZINC000723551992 695094342 /nfs/dbraw/zinc/09/43/42/695094342.db2.gz KFNWJARNPUFYFT-KFWWJZLASA-N 2 0 281.444 1.755 10 0 CDAERP C[C@](C[NH3+])([NH2+]C[C@H]1CC2(CO1)CCOCC2)C1CC1 ZINC000872141701 695129134 /nfs/dbraw/zinc/12/91/34/695129134.db2.gz OVJGGUKDYLLJLA-ZIAGYGMSSA-N 2 0 268.401 1.289 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H](O)CC(C)(C)C ZINC000925088728 695141355 /nfs/dbraw/zinc/14/13/55/695141355.db2.gz MLFAQJBJDPAFFT-RBKKPWLPSA-N 2 0 254.418 1.713 10 0 CDAERP C[C@@H]1C[C@@H]1NC(=[NH2+])NCC(C)(C)[NH+]1CCCCC1 ZINC000864452713 695149162 /nfs/dbraw/zinc/14/91/62/695149162.db2.gz RXXAHYIOJJJLHH-NEPJUHHUSA-N 2 0 252.406 1.773 10 0 CDAERP C[C@@H]1C[C@@H]1NC(=[NH2+])NCCC[NH+]1CCC(C)CC1 ZINC000864450730 695152268 /nfs/dbraw/zinc/15/22/68/695152268.db2.gz SBAOQIVYIJNVEL-OLZOCXBDSA-N 2 0 252.406 1.631 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000862546792 695153037 /nfs/dbraw/zinc/15/30/37/695153037.db2.gz SHSUPVRTYATYHN-UKRRQHHQSA-N 2 0 298.346 1.181 10 0 CDAERP CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925876073 695164581 /nfs/dbraw/zinc/16/45/81/695164581.db2.gz QMWSXGFZJYIHNK-VOAKCMCISA-N 2 0 274.430 1.059 10 0 CDAERP C[N@H+](CCOC(C)(C)C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923387280 695170559 /nfs/dbraw/zinc/17/05/59/695170559.db2.gz IGGLYTPGCPFZHG-LBPRGKRZSA-N 2 0 256.390 1.112 10 0 CDAERP CC[NH2+]Cc1ccccc1NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000841845504 695173439 /nfs/dbraw/zinc/17/34/39/695173439.db2.gz ATTJRRWYHAIUOO-AWEZNQCLSA-N 2 0 265.332 1.436 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H](CC[NH2+]CCF)C2)C1 ZINC001698683459 1159020064 /nfs/dbraw/zinc/02/00/64/1159020064.db2.gz PZTFGBCIQXECDD-LSDHHAIUSA-N 2 0 299.434 1.516 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001266559504 1158622573 /nfs/dbraw/zinc/62/25/73/1158622573.db2.gz CJJWSFMUVCLFRB-STQMWFEESA-N 2 0 255.406 1.317 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H]2C[NH2+]C/C=C\Cl)C1 ZINC001671369559 1159182787 /nfs/dbraw/zinc/18/27/87/1159182787.db2.gz YCFMCVDVTFMETM-UZBOCLDFSA-N 2 0 299.846 1.661 10 0 CDAERP [NH3+][C@H]1CCCC[C@@H]1C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000394514965 1159549380 /nfs/dbraw/zinc/54/93/80/1159549380.db2.gz CDUHJBSUSQZJKP-KBPBESRZSA-N 2 0 265.401 1.201 10 0 CDAERP C[C@@H](C[NH2+]CCCCCF)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268699188 1160005082 /nfs/dbraw/zinc/00/50/82/1160005082.db2.gz DXAJMGYCWGPFOP-QWHCGFSZSA-N 2 0 273.396 1.315 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC001643793755 1167269827 /nfs/dbraw/zinc/26/98/27/1167269827.db2.gz FZYMRYXLYPQGMN-MCIONIFRSA-N 2 0 267.417 1.127 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001645745751 1167485620 /nfs/dbraw/zinc/48/56/20/1167485620.db2.gz GLLVAJPQKSFCBS-ILXRZTDVSA-N 2 0 298.475 1.889 10 0 CDAERP CC(C)[NH2+]C1(CO)CC[NH+](CC2CCC(O)CC2)CC1 ZINC001645948204 1167583749 /nfs/dbraw/zinc/58/37/49/1167583749.db2.gz LJZUSMRNFOMOQM-UHFFFAOYSA-N 2 0 284.444 1.362 10 0 CDAERP COC[C@@H](C)C[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001646213241 1167698059 /nfs/dbraw/zinc/69/80/59/1167698059.db2.gz WIPVAINCILIMCC-ZDUSSCGKSA-N 2 0 270.417 1.502 10 0 CDAERP CCCC[N@H+](C)CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001566497678 1168308249 /nfs/dbraw/zinc/30/82/49/1168308249.db2.gz CWPWPWXJEGLSCP-UHFFFAOYSA-N 2 0 283.460 1.957 10 0 CDAERP CCC[NH2+]C/C=C\CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001568919446 1169548290 /nfs/dbraw/zinc/54/82/90/1169548290.db2.gz AXKFSPIJCZCGLO-ZFDPJTLLSA-N 2 0 253.390 1.000 10 0 CDAERP CC(C)[NH2+]C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001568999559 1169586129 /nfs/dbraw/zinc/58/61/29/1169586129.db2.gz SNEAYRONLWYDFH-CYBMUJFWSA-N 2 0 267.417 1.365 10 0 CDAERP C[N@@H+](CCCc1cccnc1)CCCN1CC[NH+](C)CC1 ZINC001650049102 1169652410 /nfs/dbraw/zinc/65/24/10/1169652410.db2.gz NVIOYUDAZNANMK-UHFFFAOYSA-N 2 0 290.455 1.584 10 0 CDAERP C[NH+](C)C1(C(=O)NCCC[N@@H+](C)CCC2CC2)CCC1 ZINC001660170952 1172171507 /nfs/dbraw/zinc/17/15/07/1172171507.db2.gz VSAQCRGBXZBUMS-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCCF)C1 ZINC001662564999 1172561225 /nfs/dbraw/zinc/56/12/25/1172561225.db2.gz ZJRXMFQRHHBHQK-ZDUSSCGKSA-N 2 0 273.396 1.268 10 0 CDAERP CCOCC[N@@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001663597786 1172732707 /nfs/dbraw/zinc/73/27/07/1172732707.db2.gz FBLPWZTZHJTEGV-CABCVRRESA-N 2 0 299.459 1.047 10 0 CDAERP CN(CC[N@H+](C)CCCCCF)C(=O)[C@@H]1CCC[NH+]1C ZINC001667546585 1173283121 /nfs/dbraw/zinc/28/31/21/1173283121.db2.gz YGSVNQWVDNLKOC-AWEZNQCLSA-N 2 0 287.423 1.611 10 0 CDAERP CCN(CC[NH2+]CC(C)C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001668644205 1173435669 /nfs/dbraw/zinc/43/56/69/1173435669.db2.gz AJYCUMYRXURKRZ-CYBMUJFWSA-N 2 0 255.406 1.032 10 0 CDAERP O=C(NC/C=C/C[NH2+]CCF)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001668883129 1173476170 /nfs/dbraw/zinc/47/61/70/1173476170.db2.gz NQDVNHHMVGPCOI-DHMVDLOISA-N 2 0 283.391 1.235 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CCCF ZINC001669751019 1173594245 /nfs/dbraw/zinc/59/42/45/1173594245.db2.gz VUSCKHJCDVDNNJ-QWHCGFSZSA-N 2 0 273.396 1.315 10 0 CDAERP C[NH+]1CCC(CC(=O)N[C@H]2C[C@@H]([NH2+]CCCF)C2)CC1 ZINC001690357882 1175448690 /nfs/dbraw/zinc/44/86/90/1175448690.db2.gz IWNMTIQHZSQTHD-OKILXGFUSA-N 2 0 285.407 1.315 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]C/C=C/Cl)C1 ZINC001690418301 1175466366 /nfs/dbraw/zinc/46/63/66/1175466366.db2.gz OGZZFZZHOHTBIZ-QFVHEQCKSA-N 2 0 299.846 1.661 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H](C[NH2+]C/C=C/Cl)C1 ZINC001690423655 1175467879 /nfs/dbraw/zinc/46/78/79/1175467879.db2.gz RHKCFXDNBLKJFJ-WXJAXGNASA-N 2 0 287.835 1.519 10 0 CDAERP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC1=CCCCC1 ZINC001690648593 1175535287 /nfs/dbraw/zinc/53/52/87/1175535287.db2.gz FLVFYTUNJJCKGF-CQSZACIVSA-N 2 0 279.428 1.677 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCC(C)(C)C)C1 ZINC001690701899 1175549573 /nfs/dbraw/zinc/54/95/73/1175549573.db2.gz RQXWJKGUGKMXER-GJZGRUSLSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)CC[N@H+](C)CCNC(=O)C[NH+](C)C1CCC1 ZINC001690947211 1175624256 /nfs/dbraw/zinc/62/42/56/1175624256.db2.gz GILUOCJVURCNHH-UHFFFAOYSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@H]1CCCC[C@@]1(C[NH2+]CCF)NC(=O)CC[NH+](C)C ZINC001698660798 1175889548 /nfs/dbraw/zinc/88/95/48/1175889548.db2.gz HHDFEBDGXNTVOO-ZFWWWQNUSA-N 2 0 287.423 1.562 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC ZINC001698824157 1175950707 /nfs/dbraw/zinc/95/07/07/1175950707.db2.gz JMOZBVXAFRWBPA-OLZOCXBDSA-N 2 0 255.406 1.317 10 0 CDAERP CCCC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001698890070 1175978378 /nfs/dbraw/zinc/97/83/78/1175978378.db2.gz CSSWRMAWMQRRTA-HUUCEWRRSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001698949487 1175992600 /nfs/dbraw/zinc/99/26/00/1175992600.db2.gz HNKNUYWQIYABSS-KGLIPLIRSA-N 2 0 269.433 1.563 10 0 CDAERP C[C@H](CC[NH2+]CCC1CC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001699088199 1176081911 /nfs/dbraw/zinc/08/19/11/1176081911.db2.gz NOVLEQOFBBNLLM-TZMCWYRMSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CC[NH2+]Cc1cncs1 ZINC001699160097 1176117165 /nfs/dbraw/zinc/11/71/65/1176117165.db2.gz QAXTXFWCVMOYKF-LBPRGKRZSA-N 2 0 298.456 1.468 10 0 CDAERP CCN(CC[NH2+]CC(C)C)C(=O)C1([NH+](C)C)CCC1 ZINC001699185399 1176131982 /nfs/dbraw/zinc/13/19/82/1176131982.db2.gz YGBPVNLXIZETAG-UHFFFAOYSA-N 2 0 269.433 1.565 10 0 CDAERP CC[C@@H](F)C[NH2+]CCN(CC)C(=O)Cn1ccnc1C ZINC001699217554 1176143758 /nfs/dbraw/zinc/14/37/58/1176143758.db2.gz LYQYYLNOQIQXOE-CYBMUJFWSA-N 2 0 284.379 1.378 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](CC[NH2+]CCC3CC3)C2)C1 ZINC001700088682 1176744400 /nfs/dbraw/zinc/74/44/00/1176744400.db2.gz QWADMIKKQZPPEC-JKSUJKDBSA-N 2 0 293.455 1.566 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC1(C[NH2+]CCF)CCCCC1 ZINC001700520646 1176993436 /nfs/dbraw/zinc/99/34/36/1176993436.db2.gz IMKXQMQJKRWQTR-UHFFFAOYSA-N 2 0 287.423 1.705 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001700644155 1177052793 /nfs/dbraw/zinc/05/27/93/1177052793.db2.gz LWHBWYDJZMJBJO-KKUMJFAQSA-N 2 0 279.428 1.389 10 0 CDAERP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]C/C=C\Cl ZINC001700766278 1177121884 /nfs/dbraw/zinc/12/18/84/1177121884.db2.gz FVKUQAPICKOXHB-JPVGGKMYSA-N 2 0 261.797 1.127 10 0 CDAERP Cc1cc(C[N@@H+](C)CCCNC(=O)CC[NH+](C)C)sn1 ZINC001712969008 1178275925 /nfs/dbraw/zinc/27/59/25/1178275925.db2.gz JXGPLZOQNCEYHN-UHFFFAOYSA-N 2 0 298.456 1.341 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001713316579 1178492803 /nfs/dbraw/zinc/49/28/03/1178492803.db2.gz UGRDDPSQOYIIII-ZDUSSCGKSA-N 2 0 267.417 1.531 10 0 CDAERP CC(C)[NH2+]C[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001713360622 1178520909 /nfs/dbraw/zinc/52/09/09/1178520909.db2.gz MISGSIKBHWEWTA-CQSZACIVSA-N 2 0 269.433 1.565 10 0 CDAERP CN(CC[NH2+]Cc1ccns1)C(=O)C1([NH+](C)C)CCC1 ZINC001713600067 1178676441 /nfs/dbraw/zinc/67/64/41/1178676441.db2.gz LVBFUFWEJRVCDX-UHFFFAOYSA-N 2 0 296.440 1.175 10 0 CDAERP CCCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001713685192 1178709332 /nfs/dbraw/zinc/70/93/32/1178709332.db2.gz ZDBVHQOTGLTTHZ-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001713783188 1178752302 /nfs/dbraw/zinc/75/23/02/1178752302.db2.gz ACCVFKJJKQULTO-UHFFFAOYSA-N 2 0 255.406 1.271 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCC2CC2)C1 ZINC001713838600 1178787296 /nfs/dbraw/zinc/78/72/96/1178787296.db2.gz UZVXSUFDYPQUBN-AWEZNQCLSA-N 2 0 267.417 1.317 10 0 CDAERP CCC[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001714118710 1178980883 /nfs/dbraw/zinc/98/08/83/1178980883.db2.gz XTJKUCIRTDEQLD-AWEZNQCLSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC(CC[NH2+]CCF)CC1 ZINC001714291218 1179068763 /nfs/dbraw/zinc/06/87/63/1179068763.db2.gz NVPYHWATUIMSBG-UHFFFAOYSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](C[NH2+]CCC3CC3)C2)C1 ZINC001714367953 1179107218 /nfs/dbraw/zinc/10/72/18/1179107218.db2.gz OQTRFFKZVHHDTD-HOCLYGCPSA-N 2 0 293.455 1.566 10 0 CDAERP C[N@H+](CC1CCC(O)CC1)C[C@@H]1CCC[NH+](C)C1 ZINC000258959687 1179163233 /nfs/dbraw/zinc/16/32/33/1179163233.db2.gz RQRUVXYDTQRRDN-SHARSMKWSA-N 2 0 254.418 1.811 10 0 CDAERP C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC1=CCCCC1 ZINC001714499111 1179172105 /nfs/dbraw/zinc/17/21/05/1179172105.db2.gz ILOOUMPGRXTEFC-HOCLYGCPSA-N 2 0 293.455 1.923 10 0 CDAERP O=C(C[NH+]1CCCC1)NCC1([NH2+]CCCF)CCCC1 ZINC001714510827 1179176809 /nfs/dbraw/zinc/17/68/09/1179176809.db2.gz YXFLKXJZCCLXNZ-UHFFFAOYSA-N 2 0 285.407 1.460 10 0 CDAERP CN(CC[NH2+]CC1CC(C)(C)C1)C(=O)Cc1cnc[nH]1 ZINC001714766644 1179386823 /nfs/dbraw/zinc/38/68/23/1179386823.db2.gz OVCYOPCDCRDBAV-UHFFFAOYSA-N 2 0 278.400 1.436 10 0 CDAERP CN(C(=O)CCCC[NH+](C)C)[C@@H]1CC[N@H+](CCCF)C1 ZINC001715029277 1179516248 /nfs/dbraw/zinc/51/62/48/1179516248.db2.gz CJDZYVQQIZHMRN-CQSZACIVSA-N 2 0 287.423 1.611 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CC[NH+](C)C ZINC001715555766 1179715496 /nfs/dbraw/zinc/71/54/96/1179715496.db2.gz ILDNHCMFRPSKLV-UONOGXRCSA-N 2 0 269.433 1.613 10 0 CDAERP CC[N@H+](C)CCN(C)C(=O)CCCC[NH+]1CCCC1 ZINC001716023504 1179995082 /nfs/dbraw/zinc/99/50/82/1179995082.db2.gz IPSDJMHPDVWQMD-UHFFFAOYSA-N 2 0 269.433 1.663 10 0 CDAERP C[C@@H](CC[NH2+]CC1CC1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001716164095 1180078773 /nfs/dbraw/zinc/07/87/73/1180078773.db2.gz MISDEAQKPQSXSP-ZDUSSCGKSA-N 2 0 281.444 1.755 10 0 CDAERP CCN(CC[NH2+]Cc1cc(C)no1)C(=O)C[NH+]1CCCC1 ZINC001716254050 1180121884 /nfs/dbraw/zinc/12/18/84/1180121884.db2.gz RSCNTPDTRINZNU-UHFFFAOYSA-N 2 0 294.399 1.017 10 0 CDAERP CCCC[NH2+]C/C=C\CNC(=O)C[NH+]1CCCC1 ZINC001716376332 1180174444 /nfs/dbraw/zinc/17/44/44/1180174444.db2.gz XDCQMYDMLIDPAT-PLNGDYQASA-N 2 0 253.390 1.144 10 0 CDAERP C[C@H](C[NH2+]CCc1ccccc1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001716423023 1180197768 /nfs/dbraw/zinc/19/77/68/1180197768.db2.gz AHMKJCYROVWYHB-ZBFHGGJFSA-N 2 0 289.423 1.275 10 0 CDAERP CCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1CC ZINC001716507176 1180260442 /nfs/dbraw/zinc/26/04/42/1180260442.db2.gz BDWCJCIYUOTSFG-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP CN(CCC[NH2+]Cc1ccccc1)C(=O)CC[NH+](C)C ZINC001716564686 1180285523 /nfs/dbraw/zinc/28/55/23/1180285523.db2.gz FYPDACCCMYJWLH-UHFFFAOYSA-N 2 0 277.412 1.576 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH2+]CCCF ZINC001716587396 1180295841 /nfs/dbraw/zinc/29/58/41/1180295841.db2.gz ZUSUJGUQKWUJJW-AWEZNQCLSA-N 2 0 287.423 1.659 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H]2C[NH2+]CCC2CC2)C1 ZINC001716787509 1180414569 /nfs/dbraw/zinc/41/45/69/1180414569.db2.gz BERSYIPUPWHOFR-CVEARBPZSA-N 2 0 293.455 1.709 10 0 CDAERP CCC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CCCC1 ZINC001716821385 1180425418 /nfs/dbraw/zinc/42/54/18/1180425418.db2.gz PCAFILHJYHPDBE-LSDHHAIUSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001716968841 1180485890 /nfs/dbraw/zinc/48/58/90/1180485890.db2.gz GBCHXHGWHGHPDV-ZIAGYGMSSA-N 2 0 269.433 1.421 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CCCF)C1 ZINC001716973409 1180487121 /nfs/dbraw/zinc/48/71/21/1180487121.db2.gz MKOQFWXWEYSOOZ-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001717641294 1180770050 /nfs/dbraw/zinc/77/00/50/1180770050.db2.gz DATOHJYOKKDOAJ-RBSFLKMASA-N 2 0 281.444 1.755 10 0 CDAERP CN(C(=O)[C@H]1CCCC[N@@H+]1C)[C@@H](C[NH2+]CCF)C1CC1 ZINC001717732620 1180814669 /nfs/dbraw/zinc/81/46/69/1180814669.db2.gz PUFWJNAQSYKFAQ-KGLIPLIRSA-N 2 0 285.407 1.267 10 0 CDAERP CCC[NH2+]C[C@@]1(C)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001724263178 1181659411 /nfs/dbraw/zinc/65/94/11/1181659411.db2.gz NOPPFQQMZURZSB-OAHLLOKOSA-N 2 0 279.428 1.320 10 0 CDAERP CC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001724610036 1181704583 /nfs/dbraw/zinc/70/45/83/1181704583.db2.gz DWBYNJSWJGBXGK-UONOGXRCSA-N 2 0 269.433 1.422 10 0 CDAERP CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)C(C)C ZINC001724648217 1181715267 /nfs/dbraw/zinc/71/52/67/1181715267.db2.gz JIBXWNKVHCCRAC-ZIAGYGMSSA-N 2 0 267.417 1.412 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CCF)C1 ZINC001724711214 1181731647 /nfs/dbraw/zinc/73/16/47/1181731647.db2.gz FJIFRYBGYSQMGO-LSDHHAIUSA-N 2 0 299.434 1.659 10 0 CDAERP CC[N@H+](C)CCCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001724860748 1181780177 /nfs/dbraw/zinc/78/01/77/1181780177.db2.gz QZVNWYFRZQDBLQ-KBPBESRZSA-N 2 0 269.433 1.659 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001725099106 1181860339 /nfs/dbraw/zinc/86/03/39/1181860339.db2.gz KAQBQOOCYSRPIO-KBPBESRZSA-N 2 0 267.417 1.413 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001731450593 1182395005 /nfs/dbraw/zinc/39/50/05/1182395005.db2.gz HCMUEAAUXVWMCJ-VGWMRTNUSA-N 2 0 293.455 1.920 10 0 CDAERP CC(C)[NH2+][C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001731601556 1182473328 /nfs/dbraw/zinc/47/33/28/1182473328.db2.gz NTIZGWVWHOZVOF-CYBMUJFWSA-N 2 0 267.417 1.365 10 0 CDAERP CC[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001731640421 1182496253 /nfs/dbraw/zinc/49/62/53/1182496253.db2.gz NDHIPVFERABPAI-QWHCGFSZSA-N 2 0 255.406 1.221 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]1CC1CC1 ZINC001731840359 1182618721 /nfs/dbraw/zinc/61/87/21/1182618721.db2.gz AKCXZSHNENPWAP-CQSZACIVSA-N 2 0 267.417 1.317 10 0 CDAERP CN(CC[NH2+]C/C=C/Cl)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001731910421 1182675676 /nfs/dbraw/zinc/67/56/76/1182675676.db2.gz HWJKHWVOYGNEJL-NDRDAGNVSA-N 2 0 285.819 1.129 10 0 CDAERP CN(CC[NH2+]CC1CCCC1)C(=O)C[N@H+](C)C1CCC1 ZINC001731918880 1182678533 /nfs/dbraw/zinc/67/85/33/1182678533.db2.gz CYMVEQCHVRPUJN-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP Cc1ccc(C[NH2+]CCN(C)C(=O)CC[NH+](C)C)cc1C ZINC001731949485 1182693982 /nfs/dbraw/zinc/69/39/82/1182693982.db2.gz GQNFWIJJPBIJQV-UHFFFAOYSA-N 2 0 291.439 1.803 10 0 CDAERP C[NH+](C)CCC(=O)N1CCCC[C@H]1CC[NH2+]CCCF ZINC001732516469 1182994927 /nfs/dbraw/zinc/99/49/27/1182994927.db2.gz YNXLVYZYNHXROI-AWEZNQCLSA-N 2 0 287.423 1.659 10 0 CDAERP O=C(CC[NH+]1CCCCC1)N[C@@H]1CCC[C@@H]1C[NH2+]CCF ZINC001732624823 1183053084 /nfs/dbraw/zinc/05/30/84/1183053084.db2.gz GMXCFVFVVYFQHG-HUUCEWRRSA-N 2 0 299.434 1.706 10 0 CDAERP CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001732626722 1183054444 /nfs/dbraw/zinc/05/44/44/1183054444.db2.gz KLILLGOYMDCVRZ-CHWSQXEVSA-N 2 0 255.406 1.221 10 0 CDAERP CC(C)CC[NH2+]CC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001732745935 1183106704 /nfs/dbraw/zinc/10/67/04/1183106704.db2.gz KUSOMGKCLGJTCF-LSDHHAIUSA-N 2 0 283.460 1.859 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC(C)([NH2+]CCCF)CC1 ZINC001733869784 1183554745 /nfs/dbraw/zinc/55/47/45/1183554745.db2.gz JHJUEVQVVXWGBA-UHFFFAOYSA-N 2 0 287.423 1.659 10 0 CDAERP C[C@@H]([NH2+]CCCF)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001733978847 1183598734 /nfs/dbraw/zinc/59/87/34/1183598734.db2.gz MWIVVFACDZZIJC-KGLIPLIRSA-N 2 0 299.434 1.705 10 0 CDAERP O=C(N[C@H]1C[C@H](C[NH2+]C/C=C/Cl)C1)C12CC[NH+](CC1)C2 ZINC001734218644 1183695504 /nfs/dbraw/zinc/69/55/04/1183695504.db2.gz ASOQUJOWOVROFA-ICDHSSQDSA-N 2 0 297.830 1.319 10 0 CDAERP CCCC[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC001734503416 1183802236 /nfs/dbraw/zinc/80/22/36/1183802236.db2.gz AIAAHRDLSQOVQX-KBPBESRZSA-N 2 0 281.444 1.565 10 0 CDAERP [NH3+][C@@H]1C[C@@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)C12CCC2 ZINC000925702975 723082289 /nfs/dbraw/zinc/08/22/89/723082289.db2.gz BWMKGGMWGJKVSK-DADPWVJOSA-N 2 0 289.467 2.000 10 0 CDAERP COc1ccccc1[C@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925807750 723097227 /nfs/dbraw/zinc/09/72/27/723097227.db2.gz HPAGRBKTKDQRIJ-ZDUSSCGKSA-N 2 0 277.412 1.769 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCCc3cn[nH]c32)CC1 ZINC000857846526 723271307 /nfs/dbraw/zinc/27/13/07/723271307.db2.gz CENJDBRGBPXXOP-HIFRSBDPSA-N 2 0 291.443 1.403 10 0 CDAERP C[C@H](O)CCC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925658839 723316725 /nfs/dbraw/zinc/31/67/25/723316725.db2.gz VWZQQIHFQXZDPE-NWANDNLSSA-N 2 0 254.418 1.905 10 0 CDAERP C[NH+](C)C1(CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CCCC1 ZINC000713419595 723383324 /nfs/dbraw/zinc/38/33/24/723383324.db2.gz FCOLJQDMTPSBHN-XUJVJEKNSA-N 2 0 265.401 1.104 10 0 CDAERP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000930903452 723388035 /nfs/dbraw/zinc/38/80/35/723388035.db2.gz LYPWVZHNKTYQJB-XJFOESAGSA-N 2 0 288.382 1.666 10 0 CDAERP CC1(C)C[C@@H]([NH2+]CCCCCN2CC[NH2+]CC2)C[C@@H]([NH3+])C1 ZINC000925844082 723505063 /nfs/dbraw/zinc/50/50/63/723505063.db2.gz VNKUYAKJELDLCZ-CVEARBPZSA-N 3 0 296.503 1.558 10 0 CDAERP C[C@@H]1CN(Cc2noc(C(C)(C)C)n2)CC[C@H]1C[NH3+] ZINC000923502293 723519819 /nfs/dbraw/zinc/51/98/19/723519819.db2.gz YQOVDZLZAKDQAP-MNOVXSKESA-N 2 0 266.389 1.784 10 0 CDAERP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CC[NH+](C)[C@@H]1C ZINC000922534417 723643111 /nfs/dbraw/zinc/64/31/11/723643111.db2.gz WLNPBGAWNKARCZ-UPJWGTAASA-N 2 0 270.421 1.107 10 0 CDAERP C[NH2+]CCC1CC[NH+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)CC1 ZINC000724578331 723632919 /nfs/dbraw/zinc/63/29/19/723632919.db2.gz PKEOGGCXYHGAKJ-ILXRZTDVSA-N 2 0 268.401 1.112 10 0 CDAERP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1cccnc1-n1ccnc1 ZINC000841096533 723667910 /nfs/dbraw/zinc/66/79/10/723667910.db2.gz XBPSZMGGAJMRKG-ZFWWWQNUSA-N 2 0 285.395 1.888 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1C[NH2+]CC1(C)C)C[NH+]1CCCC1 ZINC000711270123 723680018 /nfs/dbraw/zinc/68/00/18/723680018.db2.gz BGOPRYOWUFSSCM-OLZOCXBDSA-N 2 0 267.417 1.080 10 0 CDAERP CCOC[C@@H](O)C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000715585933 723691914 /nfs/dbraw/zinc/69/19/14/723691914.db2.gz OJLRRZJFBOWPRT-MOKVOYLWSA-N 2 0 258.406 1.236 10 0 CDAERP CC1CC[NH+](CCCNC(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852856078 723106198 /nfs/dbraw/zinc/10/61/98/723106198.db2.gz UIOJOYDCEZJKPF-UHFFFAOYSA-N 2 0 279.428 1.534 10 0 CDAERP CCN1CCCC[C@H]1C(=O)OC[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000789775106 723152279 /nfs/dbraw/zinc/15/22/79/723152279.db2.gz WYXJJJONDQCLIX-CABCVRRESA-N 2 0 298.427 1.513 10 0 CDAERP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC000923282142 723154207 /nfs/dbraw/zinc/15/42/07/723154207.db2.gz ROKLDSSBLJILOL-OAHLLOKOSA-N 2 0 293.455 1.744 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000852880950 723203500 /nfs/dbraw/zinc/20/35/00/723203500.db2.gz GSJCFRKDOXMBSI-HZPDHXFCSA-N 2 0 291.439 1.534 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000710837253 723251222 /nfs/dbraw/zinc/25/12/22/723251222.db2.gz FESDVLPDBHGDGK-JHJVBQTASA-N 2 0 253.390 1.104 10 0 CDAERP CCO[C@@H]1C[N@H+](C[C@H]2CCO[C@H](CC)C2)C[C@H]1C[NH3+] ZINC000844903872 723255616 /nfs/dbraw/zinc/25/56/16/723255616.db2.gz QPECGBHEAIVAFW-GBJTYRQASA-N 2 0 270.417 1.487 10 0 CDAERP [NH3+]CC1(c2nc([C@@H]3CN4CCC[C@@H]4CO3)no2)CCCC1 ZINC000165406361 723321339 /nfs/dbraw/zinc/32/13/39/723321339.db2.gz HCDCOBMDJMCOGU-NEPJUHHUSA-N 2 0 292.383 1.376 10 0 CDAERP CC[C@@H]1CCN(C(=[NH2+])NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000864456453 723345593 /nfs/dbraw/zinc/34/55/93/723345593.db2.gz JEKHMIBUGBDLMO-HZSPNIEDSA-N 2 0 280.416 1.106 10 0 CDAERP O[C@H](C[NH+]1CCC(Nc2ccccn2)CC1)C1(O)CCC1 ZINC000930130205 723368193 /nfs/dbraw/zinc/36/81/93/723368193.db2.gz YMDKPKJUGOAXKE-CQSZACIVSA-N 2 0 291.395 1.234 10 0 CDAERP Cc1ccc([C@H](O)C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)o1 ZINC000850155693 723386598 /nfs/dbraw/zinc/38/65/98/723386598.db2.gz HKGDLMFDPDUJHT-OAHLLOKOSA-N 2 0 298.346 1.992 10 0 CDAERP C[C@H]1c2sccc2CC[N@H+]1CCN1CC[NH2+]CC1 ZINC000712358479 723526796 /nfs/dbraw/zinc/52/67/96/723526796.db2.gz VJDCXNMOYZWHBG-LBPRGKRZSA-N 2 0 265.426 1.572 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857857299 723569566 /nfs/dbraw/zinc/56/95/66/723569566.db2.gz SZYLMFFUKKTZDJ-ZIAGYGMSSA-N 2 0 280.416 1.734 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)C=C2CC[NH2+]CC2)C[N@@H+]1C1CC1 ZINC000852872852 723610980 /nfs/dbraw/zinc/61/09/80/723610980.db2.gz SKUYBXQQBMMWEA-DGCLKSJQSA-N 2 0 263.385 1.038 10 0 CDAERP CC(C)[C@@H]1COCC[C@H]1[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000924962793 723639319 /nfs/dbraw/zinc/63/93/19/723639319.db2.gz CAIOHCQTANHGLX-HRCADAONSA-N 2 0 283.460 1.273 10 0 CDAERP CO[C@H]1C[C@@H](C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)C1 ZINC000872145841 723660964 /nfs/dbraw/zinc/66/09/64/723660964.db2.gz WSFOFZYCOZLRRP-OJLVUWQFSA-N 2 0 282.428 1.630 10 0 CDAERP Cc1cc(C[NH3+])cc(NC(=O)CCC23CC(C2)C[NH2+]3)c1 ZINC000870948125 723686342 /nfs/dbraw/zinc/68/63/42/723686342.db2.gz FONDGLMKKCQXAY-UHFFFAOYSA-N 2 0 273.380 1.924 10 0 CDAERP C[NH+](C)C1(C(=O)NCCN2CC=CCC2)CCCC1 ZINC001626627733 1165948799 /nfs/dbraw/zinc/94/87/99/1165948799.db2.gz MNMHFCJLUHWBPJ-UHFFFAOYSA-N 2 0 265.401 1.239 10 0 CDAERP CCCC[NH2+]C/C=C\CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001274612164 1166639607 /nfs/dbraw/zinc/63/96/07/1166639607.db2.gz YKAFBSRFNFWSRW-YOVCOIKASA-N 2 0 281.444 1.921 10 0 CDAERP CCN1CC[C@@H]1C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001636346604 1166670443 /nfs/dbraw/zinc/67/04/43/1166670443.db2.gz IDIWQNROPOJHSO-QNMSZWNNSA-N 2 0 265.401 1.164 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]CCCF)C1 ZINC001565919583 1168200363 /nfs/dbraw/zinc/20/03/63/1168200363.db2.gz IONKJDHEYHHUFX-UONOGXRCSA-N 2 0 287.423 1.561 10 0 CDAERP COCC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001565938491 1168204390 /nfs/dbraw/zinc/20/43/90/1168204390.db2.gz JKYMADSCDWDTSX-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP C[NH+]1CCC(CC(=O)NCCC[N@H+](CCF)C2CC2)CC1 ZINC001566597971 1168351816 /nfs/dbraw/zinc/35/18/16/1168351816.db2.gz IQPPXYYVVCUNJV-UHFFFAOYSA-N 2 0 299.434 1.659 10 0 CDAERP COCCC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001567368621 1168713414 /nfs/dbraw/zinc/71/34/14/1168713414.db2.gz ZTXPSOJZOZNNIR-HNNXBMFYSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001266515277 895186817 /nfs/dbraw/zinc/18/68/17/895186817.db2.gz SPOHLXRLVMGDFN-KBPBESRZSA-N 2 0 267.417 1.317 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001266632969 895636648 /nfs/dbraw/zinc/63/66/48/895636648.db2.gz XWXKEFMBWGGWOO-HDJSIYSDSA-N 2 0 277.412 1.285 10 0 CDAERP CN(CC[NH2+]C[C@H]1CCCCO1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001266744959 895954884 /nfs/dbraw/zinc/95/48/84/895954884.db2.gz YVRVAEABGNSYMD-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP COCCC[NH2+]CCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001266851926 896191012 /nfs/dbraw/zinc/19/10/12/896191012.db2.gz GBSUQXOUYHMOGZ-HNNXBMFYSA-N 2 0 299.459 1.335 10 0 CDAERP CCCCC[NH2+][C@@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001266972048 896471951 /nfs/dbraw/zinc/47/19/51/896471951.db2.gz SYNAYTRGQZWDQW-KBPBESRZSA-N 2 0 269.433 1.613 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001267065051 896670303 /nfs/dbraw/zinc/67/03/03/896670303.db2.gz PSHOCCPOSWBQDM-ZIAGYGMSSA-N 2 0 297.418 1.268 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001267281152 897457315 /nfs/dbraw/zinc/45/73/15/897457315.db2.gz GNJYLRMVNKRGPD-ZDUSSCGKSA-N 2 0 253.390 1.071 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)CC1 ZINC000721566392 897695424 /nfs/dbraw/zinc/69/54/24/897695424.db2.gz GDDJGLWSEOLRTJ-KBPBESRZSA-N 2 0 284.444 1.626 10 0 CDAERP CC/C=C/CC[N@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001480935541 897736753 /nfs/dbraw/zinc/73/67/53/897736753.db2.gz PPFSNXXSKQKBIJ-LLYBFZRZSA-N 2 0 281.444 1.733 10 0 CDAERP CCC[N@@H+](CC=C(C)C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001481154365 898988149 /nfs/dbraw/zinc/98/81/49/898988149.db2.gz RTQLWTFNBDNQOU-OAHLLOKOSA-N 2 0 281.444 1.733 10 0 CDAERP COCC[N@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)C1CC1 ZINC001481200591 899142770 /nfs/dbraw/zinc/14/27/70/899142770.db2.gz PMXARZMPJDHEMS-OKILXGFUSA-N 2 0 297.443 1.086 10 0 CDAERP C[C@H](C[N@H+](C)CCCO)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001420632617 899657336 /nfs/dbraw/zinc/65/73/36/899657336.db2.gz IIIJFZAFUGFEFZ-HUUCEWRRSA-N 2 0 299.459 1.070 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001267996899 900219558 /nfs/dbraw/zinc/21/95/58/900219558.db2.gz ALNSILKOMVBGMN-CQSZACIVSA-N 2 0 281.444 1.636 10 0 CDAERP CCS(=O)(=O)CC[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000692874653 900868477 /nfs/dbraw/zinc/86/84/77/900868477.db2.gz WLNTZBYFZPFWHM-CQSZACIVSA-N 2 0 288.457 1.133 10 0 CDAERP CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CCC1CC1)[NH+](C)C ZINC001268071470 901099379 /nfs/dbraw/zinc/09/93/79/901099379.db2.gz PFMXDXHCNOADNK-GXTWGEPZSA-N 2 0 269.433 1.563 10 0 CDAERP CCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268071410 901100186 /nfs/dbraw/zinc/10/01/86/901100186.db2.gz OMXAUTYGCLOYQL-KGLIPLIRSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001567741079 1168947194 /nfs/dbraw/zinc/94/71/94/1168947194.db2.gz HJUSODWINQHGSH-HZPDHXFCSA-N 2 0 293.455 1.685 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1CC[NH2+]C[C@@H](C)O ZINC001268162376 901457881 /nfs/dbraw/zinc/45/78/81/901457881.db2.gz LPWAQATUPWEEDA-HUUCEWRRSA-N 2 0 299.459 1.070 10 0 CDAERP CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CC[N@H+](C)CC ZINC001268288558 901756215 /nfs/dbraw/zinc/75/62/15/901756215.db2.gz JIJNUYJKYSWPJO-UONOGXRCSA-N 2 0 269.433 1.613 10 0 CDAERP C[C@H](CC[NH2+]Cc1ccsc1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268348105 901913097 /nfs/dbraw/zinc/91/30/97/901913097.db2.gz GEBROMGMGZEKAK-TZMCWYRMSA-N 2 0 295.452 1.827 10 0 CDAERP CCCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268392037 901983345 /nfs/dbraw/zinc/98/33/45/901983345.db2.gz PGUCDXZUJIVXRQ-CHWSQXEVSA-N 2 0 255.406 1.365 10 0 CDAERP C[C@@H](CC[NH2+]Cc1ccc(F)cc1)NC(=O)CC[NH+](C)C ZINC001268398419 901992248 /nfs/dbraw/zinc/99/22/48/901992248.db2.gz ZATCGPWIQQGANV-ZDUSSCGKSA-N 2 0 295.402 1.762 10 0 CDAERP C[C@@H](CC[NH2+]CCF)NC(=O)C[NH+]1CCC(C)CC1 ZINC001268411219 902019016 /nfs/dbraw/zinc/01/90/16/902019016.db2.gz KYXLAPNJLXRGDA-ZDUSSCGKSA-N 2 0 273.396 1.172 10 0 CDAERP CC(C)OCCC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001567777483 1168961943 /nfs/dbraw/zinc/96/19/43/1168961943.db2.gz BWSYTDCSGOBIBP-HNNXBMFYSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)[NH2+]C/C=C/CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001268557837 902562684 /nfs/dbraw/zinc/56/26/84/902562684.db2.gz UXFBXAPRHZTVNM-AATRIKPKSA-N 2 0 297.443 1.015 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCOC ZINC001482057538 902569614 /nfs/dbraw/zinc/56/96/14/902569614.db2.gz LPFCDKVLCOFXSV-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CCCCC[N@@H+]1CC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001269249788 903607915 /nfs/dbraw/zinc/60/79/15/903607915.db2.gz UNPGQZSSGIANRT-AWEZNQCLSA-N 2 0 281.444 1.851 10 0 CDAERP O=C(NCC1([NH2+]CCCF)CC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001269505294 903870531 /nfs/dbraw/zinc/87/05/31/903870531.db2.gz AVLVPXJICBCUPE-KGLIPLIRSA-N 2 0 297.418 1.601 10 0 CDAERP CCC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001269837937 904140061 /nfs/dbraw/zinc/14/00/61/904140061.db2.gz KOMUIJUKABEVHO-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001270174082 904418380 /nfs/dbraw/zinc/41/83/80/904418380.db2.gz IRFPIYDIJRPWRB-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP CCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001270487296 904673373 /nfs/dbraw/zinc/67/33/73/904673373.db2.gz WMLGGGAUCKFPLR-STQMWFEESA-N 2 0 255.406 1.223 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001270569025 904744063 /nfs/dbraw/zinc/74/40/63/904744063.db2.gz RHGSFXISNLGNCL-LSDHHAIUSA-N 2 0 283.460 1.716 10 0 CDAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]C/C=C/Cl ZINC001270596926 904772346 /nfs/dbraw/zinc/77/23/46/904772346.db2.gz WYSYTINQGPQHDX-ZYOFXKKJSA-N 2 0 273.808 1.177 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CCF ZINC001270605318 904783091 /nfs/dbraw/zinc/78/30/91/904783091.db2.gz YPPDTSZVJSXBLO-QWHCGFSZSA-N 2 0 273.396 1.172 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+]C/C=C/Cl ZINC001270605356 904783555 /nfs/dbraw/zinc/78/35/55/904783555.db2.gz ZDELGVIGRQZWNF-BTDICHCPSA-N 2 0 275.824 1.421 10 0 CDAERP CC(C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCC1CC1 ZINC001482518496 906748789 /nfs/dbraw/zinc/74/87/89/906748789.db2.gz PVQYLQICVJQGSO-GJZGRUSLSA-N 2 0 281.444 1.611 10 0 CDAERP CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)CCC ZINC001271748841 906769609 /nfs/dbraw/zinc/76/96/09/906769609.db2.gz BBQZVDLIZSYNGJ-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H](F)CC[NH2+]CC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001272992627 921340617 /nfs/dbraw/zinc/34/06/17/921340617.db2.gz CNJRLMDAZUMURI-CHWSQXEVSA-N 2 0 287.423 1.561 10 0 CDAERP CCOCC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001567915005 1169068379 /nfs/dbraw/zinc/06/83/79/1169068379.db2.gz JEYCFKBOYGBRAS-OAHLLOKOSA-N 2 0 297.443 1.040 10 0 CDAERP CCN(C(=O)CCCC[NH+](C)C)[C@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC001567943563 1169086433 /nfs/dbraw/zinc/08/64/33/1169086433.db2.gz CNHSJKIVNSCOMC-CABCVRRESA-N 2 0 299.459 1.022 10 0 CDAERP CCN(CC[NH2+]CC1CC1)C(=O)C[N@H+](C)C(C)C ZINC001482970366 908553708 /nfs/dbraw/zinc/55/37/08/908553708.db2.gz TVPGAZPBBUQUJS-UHFFFAOYSA-N 2 0 255.406 1.175 10 0 CDAERP CC(C)(C(=O)NC/C=C\C[NH2+]C/C=C\Cl)[NH+]1CCCC1 ZINC001483042130 908806584 /nfs/dbraw/zinc/80/65/84/908806584.db2.gz DYSLHBZXUGASLC-KPDBFRNYSA-N 2 0 299.846 1.875 10 0 CDAERP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712618018 909569239 /nfs/dbraw/zinc/56/92/39/909569239.db2.gz QIBCRIKWJVJLKC-CYBMUJFWSA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)[NH2+]C(C)C ZINC001567991139 1169110770 /nfs/dbraw/zinc/11/07/70/1169110770.db2.gz WQNGMSCPQASTGD-UONOGXRCSA-N 2 0 269.433 1.754 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccns1 ZINC001425538184 910343450 /nfs/dbraw/zinc/34/34/50/910343450.db2.gz BUGQQANXTQETMD-AAEUAGOBSA-N 2 0 296.440 1.174 10 0 CDAERP CC[C@H](F)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C ZINC001425980544 910423433 /nfs/dbraw/zinc/42/34/33/910423433.db2.gz XGSWEWOFAOAEDW-UONOGXRCSA-N 2 0 299.434 1.657 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H](C)CN(C)C(=O)CCn1ccnc1 ZINC001507105446 910744329 /nfs/dbraw/zinc/74/43/29/910744329.db2.gz LGWGKJRVLQFOBO-ZIAGYGMSSA-N 2 0 280.416 1.756 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)CCC[NH2+]CC1CCC1)[NH+](C)C ZINC001483470313 911157866 /nfs/dbraw/zinc/15/78/66/911157866.db2.gz CIYUNNXPCKOIDY-HNNXBMFYSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001483606623 911313517 /nfs/dbraw/zinc/31/35/17/911313517.db2.gz ZRBNCIHHYFRIND-GJZGRUSLSA-N 2 0 279.428 1.389 10 0 CDAERP CN1CC[C@H]1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000922575002 921677851 /nfs/dbraw/zinc/67/78/51/921677851.db2.gz SVHQBABTOKFZGA-ZDUSSCGKSA-N 2 0 257.341 1.061 10 0 CDAERP CC(C)=CC[NH2+]C1(CNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001483795211 915071278 /nfs/dbraw/zinc/07/12/78/915071278.db2.gz QDPPUMKZTJCGGY-UHFFFAOYSA-N 2 0 267.417 1.531 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@@]2(CC[N@H+](CCC3CC3)C2)C1 ZINC001483849553 915111470 /nfs/dbraw/zinc/11/14/70/915111470.db2.gz XQSBRJJQSULPTN-QGZVFWFLSA-N 2 0 293.455 1.663 10 0 CDAERP CC(C)CC[NH+]1CC([C@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001409915200 915555076 /nfs/dbraw/zinc/55/50/76/915555076.db2.gz LHLCEKLHBPFXMP-AWEZNQCLSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)Nc2ccc3c[nH+]cn3c2)C1 ZINC001179310587 915800220 /nfs/dbraw/zinc/80/02/20/915800220.db2.gz YWVYRPLVYKPIJO-NSHDSACASA-N 2 0 258.325 1.615 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]CCC[C@H](C)O ZINC001493807309 915818860 /nfs/dbraw/zinc/81/88/60/915818860.db2.gz ZMGAGDMFTCQUBB-GJZGRUSLSA-N 2 0 299.459 1.070 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]C/C=C\Cl)C1 ZINC001484512892 915838040 /nfs/dbraw/zinc/83/80/40/915838040.db2.gz YSXPAUBFAOITTB-ZCCGJTIKSA-N 2 0 299.846 1.661 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001484619600 915957514 /nfs/dbraw/zinc/95/75/14/915957514.db2.gz JMDGULOYAJMFRM-HUUCEWRRSA-N 2 0 299.434 1.801 10 0 CDAERP C[C@@H]([NH2+]CCCF)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001485198411 916642693 /nfs/dbraw/zinc/64/26/93/916642693.db2.gz HZQFCXYJEQYAJC-OLZOCXBDSA-N 2 0 287.423 1.561 10 0 CDAERP CC(C)[N@H+](C)[C@@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001485312664 916795565 /nfs/dbraw/zinc/79/55/65/916795565.db2.gz IHJUMEWCQZDPOL-KBPBESRZSA-N 2 0 269.433 1.706 10 0 CDAERP CC[C@@H](C)C[N@H+](C)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001485312000 916796531 /nfs/dbraw/zinc/79/65/31/916796531.db2.gz GKANXBIBDUSFKZ-ZIAGYGMSSA-N 2 0 283.460 1.953 10 0 CDAERP Cc1ncccc1C[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001485344982 916862845 /nfs/dbraw/zinc/86/28/45/916862845.db2.gz IBYDVQWUPBIQPC-ZDUSSCGKSA-N 2 0 292.427 1.278 10 0 CDAERP CC(C)[N@@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001485577716 917106084 /nfs/dbraw/zinc/10/60/84/917106084.db2.gz QISVUXSBIPOJIP-ZDUSSCGKSA-N 2 0 281.444 1.563 10 0 CDAERP C[C@@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC1CCC1 ZINC001366475307 917506106 /nfs/dbraw/zinc/50/61/06/917506106.db2.gz NJVPAIBCGLORPY-ZFWWWQNUSA-N 2 0 281.444 1.755 10 0 CDAERP C[NH+]1CCN(CCC[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)CC1 ZINC000921507199 918085954 /nfs/dbraw/zinc/08/59/54/918085954.db2.gz KNIFFVWNJAWFND-IXDOHACOSA-N 2 0 295.471 1.419 10 0 CDAERP CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001485830507 919451199 /nfs/dbraw/zinc/45/11/99/919451199.db2.gz GXCQOQZCSABOGG-INIZCTEOSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001485873372 920535641 /nfs/dbraw/zinc/53/56/41/920535641.db2.gz MMWKFJDZPWTHNB-LSDHHAIUSA-N 2 0 283.460 1.952 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]([NH2+]CCCF)C2)CCC1 ZINC001490897686 936669273 /nfs/dbraw/zinc/66/92/73/936669273.db2.gz NVXVHOCVVNCRBM-HAQNSBGRSA-N 2 0 271.380 1.067 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCCF)[C@H]1C ZINC001486093278 920694985 /nfs/dbraw/zinc/69/49/85/920694985.db2.gz KWQWGOSXDWONPJ-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001486201069 920806012 /nfs/dbraw/zinc/80/60/12/920806012.db2.gz BPLGEYJFCYPNFH-KBPBESRZSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)C[NH2+]C[C@H](NC(=O)[C@H]1CN(C)CCO1)C(C)(C)C ZINC001486389956 920972571 /nfs/dbraw/zinc/97/25/71/920972571.db2.gz FLDKFSQBAJBZKU-KGLIPLIRSA-N 2 0 299.459 1.094 10 0 CDAERP [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(CCC[NH+]1CCCCC1)C2 ZINC000709888454 923229679 /nfs/dbraw/zinc/22/96/79/923229679.db2.gz NJINCCFWDWABMJ-KKUMJFAQSA-N 2 0 251.418 1.674 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000710985840 923263892 /nfs/dbraw/zinc/26/38/92/923263892.db2.gz ZHSCUUDDGGWHBX-JHJVBQTASA-N 2 0 253.390 1.057 10 0 CDAERP O=c1ccc(C[NH2+]C[C@H]2CCN2C2CCOCC2)c[nH]1 ZINC000922952248 923386446 /nfs/dbraw/zinc/38/64/46/923386446.db2.gz IHBCCHSJOFHXSR-CQSZACIVSA-N 2 0 277.368 1.130 10 0 CDAERP CCC(CC)C[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001491078930 936851774 /nfs/dbraw/zinc/85/17/74/936851774.db2.gz BFUZMFLBIDXTMK-GASCZTMLSA-N 2 0 281.444 1.755 10 0 CDAERP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC000923282140 923703202 /nfs/dbraw/zinc/70/32/02/923703202.db2.gz ROKLDSSBLJILOL-HNNXBMFYSA-N 2 0 293.455 1.744 10 0 CDAERP C[N@H+](C[C@@H](O)COc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923328983 923739785 /nfs/dbraw/zinc/73/97/85/923739785.db2.gz NTJNNVYXYMOQIQ-VFSICIBPSA-N 2 0 290.407 1.641 10 0 CDAERP C[C@@H]1C[N@H+](C[C@H](O)CC2CCCC2)CC[C@H]1C[NH3+] ZINC000923490206 923876092 /nfs/dbraw/zinc/87/60/92/923876092.db2.gz BSILAPFNYILNPA-VHDGCEQUSA-N 2 0 254.418 1.844 10 0 CDAERP CCCCNC(=O)CC[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923501210 923884918 /nfs/dbraw/zinc/88/49/18/923884918.db2.gz ZOWRFHPDRBPYRK-STQMWFEESA-N 2 0 255.406 1.210 10 0 CDAERP CSC[C@H](O)C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923509877 923888441 /nfs/dbraw/zinc/88/84/41/923888441.db2.gz SWZJFJVXRHSPFI-DZGCQCFKSA-N 2 0 286.485 1.812 10 0 CDAERP [NH3+]CCCCCC[NH+]1CCC2(CCNC(=O)O2)CC1 ZINC000923528781 923906860 /nfs/dbraw/zinc/90/68/60/923906860.db2.gz YAZFCIMPXAJRAX-UHFFFAOYSA-N 2 0 269.389 1.470 10 0 CDAERP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000838816584 936890050 /nfs/dbraw/zinc/89/00/50/936890050.db2.gz FPYBZJWIILJQAY-OAHLLOKOSA-N 2 0 254.418 1.810 10 0 CDAERP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)C2CC2)C1 ZINC000838865308 936892434 /nfs/dbraw/zinc/89/24/34/936892434.db2.gz RPYIYNDHTNCGFK-ZFWWWQNUSA-N 2 0 252.402 1.421 10 0 CDAERP CCC(CC)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001410840159 926651085 /nfs/dbraw/zinc/65/10/85/926651085.db2.gz CTFOVYTUYBMWCU-HIFRSBDPSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@@H+]1CC1CC1 ZINC001489312082 926883410 /nfs/dbraw/zinc/88/34/10/926883410.db2.gz SUCSPAIGEKONGZ-ZBFHGGJFSA-N 2 0 293.455 1.851 10 0 CDAERP CC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001411015499 926893350 /nfs/dbraw/zinc/89/33/50/926893350.db2.gz LTOQNKNTFMJAEH-WDEREUQCSA-N 2 0 295.349 1.185 10 0 CDAERP C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)CC1CCCC1 ZINC001490164854 926999828 /nfs/dbraw/zinc/99/98/28/926999828.db2.gz OQKQTPDJUSTXCB-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCCC[NH+](C)CC2CC2)CC[N@@H+]1C ZINC001490242773 927047352 /nfs/dbraw/zinc/04/73/52/927047352.db2.gz QNMYJGDQQQUWDN-ZFWWWQNUSA-N 2 0 281.444 1.565 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CCF)C1CC1 ZINC001490670803 927275254 /nfs/dbraw/zinc/27/52/54/927275254.db2.gz GQCIGOPRJZOGSR-ZIAGYGMSSA-N 2 0 285.407 1.315 10 0 CDAERP CCC[NH2+]C1CC(N(C)C(=O)COC2CC[NH+](C)CC2)C1 ZINC001411250761 927315838 /nfs/dbraw/zinc/31/58/38/927315838.db2.gz VCFWAJAKMXYAOY-UHFFFAOYSA-N 2 0 297.443 1.086 10 0 CDAERP CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)C(C)C ZINC001568470187 1169304881 /nfs/dbraw/zinc/30/48/81/1169304881.db2.gz JIRYUXQGCXDRNZ-KBPBESRZSA-N 2 0 269.433 1.611 10 0 CDAERP [NH3+][C@@H](CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)C1CC1 ZINC000852906161 927913394 /nfs/dbraw/zinc/91/33/94/927913394.db2.gz SERVGMYMXLFHKL-OWCLPIDISA-N 2 0 287.407 1.376 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCN(C)C(=O)CC[NH+](C)C ZINC001568494815 1169329333 /nfs/dbraw/zinc/32/93/33/1169329333.db2.gz OFNCPSXWIMAFDL-CYBMUJFWSA-N 2 0 257.422 1.374 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC001135649516 930320006 /nfs/dbraw/zinc/32/00/06/930320006.db2.gz HXDLLCVTOOUPIU-HNNXBMFYSA-N 2 0 283.460 1.812 10 0 CDAERP C[C@H]([NH2+]Cc1ccc(N2CCCCC2=O)cc1)C1C[NH2+]C1 ZINC000817895927 930621764 /nfs/dbraw/zinc/62/17/64/930621764.db2.gz XSXNYOLVEJONFR-ZDUSSCGKSA-N 2 0 287.407 1.901 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1cc(C)cc(Cl)n1 ZINC000817929034 930625155 /nfs/dbraw/zinc/62/51/55/930625155.db2.gz COVBAHQHSQJRMW-NSHDSACASA-N 2 0 271.792 1.887 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CCCC1CCC1 ZINC001274263218 931485772 /nfs/dbraw/zinc/48/57/72/931485772.db2.gz OGAPHBQSWDAXQJ-WOMSROEHSA-N 2 0 293.455 1.923 10 0 CDAERP C[N@H+](CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CCF)C1CCC1 ZINC001320148076 931499780 /nfs/dbraw/zinc/49/97/80/931499780.db2.gz SUKAJILORGZETC-OCCSQVGLSA-N 2 0 285.407 1.315 10 0 CDAERP CC[C@@H](C(=O)NC/C=C/C[NH2+]CC(C)C)[NH+](C)C ZINC001274507690 931504957 /nfs/dbraw/zinc/50/49/57/931504957.db2.gz GPFHEHWJXNNLPQ-GWJCSSMESA-N 2 0 255.406 1.245 10 0 CDAERP C[C@H](C[NH2+]CCF)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001274863802 931595804 /nfs/dbraw/zinc/59/58/04/931595804.db2.gz HYAKWJAMYYDIEZ-CYBMUJFWSA-N 2 0 287.423 1.562 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001275574095 931888207 /nfs/dbraw/zinc/88/82/07/931888207.db2.gz NZGAPQFTNRKOCJ-AWEZNQCLSA-N 2 0 281.444 1.873 10 0 CDAERP CN(C(=O)CC[NH+](C)C)C1CCC([NH2+]CCCF)CC1 ZINC001275623478 931912386 /nfs/dbraw/zinc/91/23/86/931912386.db2.gz DHSFNYYXKLPQQM-UHFFFAOYSA-N 2 0 287.423 1.657 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]CCOC[C@H]2CCCO2)C12CCC2 ZINC000925498337 932044541 /nfs/dbraw/zinc/04/45/41/932044541.db2.gz OPXVSQHYLFLYAZ-JHJVBQTASA-N 2 0 254.374 1.042 10 0 CDAERP CN(CCC[NH2+]CC1CC1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001276071355 932490546 /nfs/dbraw/zinc/49/05/46/932490546.db2.gz RJEKXFXXQMGGHP-JKSUJKDBSA-N 2 0 293.455 1.851 10 0 CDAERP [NH3+]CCC1CCN(C(=O)[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC001118272817 937611287 /nfs/dbraw/zinc/61/12/87/937611287.db2.gz JQLLQGFYQGYCCF-QWHCGFSZSA-N 2 0 253.390 1.091 10 0 CDAERP C[C@@H]1COC[C@@H](C)C1[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000925094654 932850770 /nfs/dbraw/zinc/85/07/70/932850770.db2.gz PJFSFSLZTOUDSP-RBSFLKMASA-N 2 0 296.455 1.748 10 0 CDAERP C[N@@H+]1CCC[C@H](CN[C@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925557563 932905838 /nfs/dbraw/zinc/90/58/38/932905838.db2.gz PKUCWLAGWQASGB-RDBSUJKOSA-N 2 0 253.434 1.824 10 0 CDAERP [NH3+][C@H]1C[C@@H]([NH2+]CCOc2ncccc2F)C12CCC2 ZINC000925615007 932915589 /nfs/dbraw/zinc/91/55/89/932915589.db2.gz DNZZQWNQWMPEJN-NWDGAFQWSA-N 2 0 265.332 1.459 10 0 CDAERP CC1(C)[C@@H]([NH2+][C@H](CO)Cc2ccccc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925643127 932920027 /nfs/dbraw/zinc/92/00/27/932920027.db2.gz CSQZMPASODBIEA-YVSFHVDLSA-N 2 0 288.435 1.956 10 0 CDAERP CC(C)[C@H]1C[C@@H]([NH2+]CCN2CCC([NH3+])CC2)CCO1 ZINC000925814377 932942115 /nfs/dbraw/zinc/94/21/15/932942115.db2.gz IFHSCJHPJARVGK-LSDHHAIUSA-N 2 0 269.433 1.203 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000926151396 932968916 /nfs/dbraw/zinc/96/89/16/932968916.db2.gz UGQUOEJBDBWWAY-IRXDYDNUSA-N 2 0 297.487 1.951 10 0 CDAERP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccnnc1 ZINC000926357245 932983361 /nfs/dbraw/zinc/98/33/61/932983361.db2.gz NTBVKRGTKSUHNU-CYBMUJFWSA-N 2 0 277.416 1.153 10 0 CDAERP C[C@@H](Cc1ccccn1)[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000926450756 932991030 /nfs/dbraw/zinc/99/10/30/932991030.db2.gz QNZCWYLDHJWUSV-AAEUAGOBSA-N 2 0 256.353 1.883 10 0 CDAERP CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)CC1 ZINC000926949300 933035150 /nfs/dbraw/zinc/03/51/50/933035150.db2.gz XQWJVHYHIIHUNR-YUELXQCFSA-N 2 0 282.428 1.643 10 0 CDAERP C[N@H+](CCO[C@H]1CCOC1)C[C@H]1CCC[NH+](C)C1 ZINC000929698872 933258785 /nfs/dbraw/zinc/25/87/85/933258785.db2.gz BCIVXTRXAIAZTB-KBPBESRZSA-N 2 0 256.390 1.066 10 0 CDAERP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000720909367 935267641 /nfs/dbraw/zinc/26/76/41/935267641.db2.gz WPKZZHSKDAURQZ-MQYQWHSLSA-N 2 0 265.401 1.199 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NCC12CCC[NH+](CCC1)C2 ZINC001123840692 936231672 /nfs/dbraw/zinc/23/16/72/936231672.db2.gz MILWVTYYSZFJEC-ZDUSSCGKSA-N 2 0 265.401 1.073 10 0 CDAERP COC[C@@H](C)C[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000249956845 938932249 /nfs/dbraw/zinc/93/22/49/938932249.db2.gz VUZGYKWTFIFFNT-KBPBESRZSA-N 2 0 265.401 1.957 10 0 CDAERP C[C@H](CC[NH2+]C/C=C\Cl)NC(=O)C12CC[NH+](CC1)C2 ZINC001568698206 1169435806 /nfs/dbraw/zinc/43/58/06/1169435806.db2.gz ATZDJXFLTRWZAA-DBGMKRSLSA-N 2 0 285.819 1.319 10 0 CDAERP C[C@H]([NH2+]C1CCN(C2CC2)CC1)C1CC[NH2+]CC1 ZINC000400351947 940847743 /nfs/dbraw/zinc/84/77/43/940847743.db2.gz NBFXOGPUHLPEFK-LBPRGKRZSA-N 2 0 251.418 1.591 10 0 CDAERP [NH3+][C@H]1C[C@H]([NH2+]CCn2cc(Br)cn2)C12CCC2 ZINC000405251780 940976239 /nfs/dbraw/zinc/97/62/39/940976239.db2.gz KFBSLIHNSODNBW-QWRGUYRKSA-N 2 0 299.216 1.505 10 0 CDAERP [NH3+][C@H]1C[C@H]([NH2+]CCc2ccc3c(c2)OCCO3)C12CCC2 ZINC000405257023 940976535 /nfs/dbraw/zinc/97/65/35/940976535.db2.gz MWUCADOZTGYCDT-HOTGVXAUSA-N 2 0 288.391 1.860 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001276978372 941765801 /nfs/dbraw/zinc/76/58/01/941765801.db2.gz LIZSSOOZEIPUHZ-UONOGXRCSA-N 2 0 269.433 1.563 10 0 CDAERP C[NH+]1CCC(CCNC(=O)CC[N@@H+]2CC[C@H](F)C2)CC1 ZINC001362113476 970900700 /nfs/dbraw/zinc/90/07/00/970900700.db2.gz MNVJARRTNLLISO-AWEZNQCLSA-N 2 0 285.407 1.268 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCF ZINC001281877329 942626839 /nfs/dbraw/zinc/62/68/39/942626839.db2.gz GCDHEIVIPVQSRP-KBPBESRZSA-N 2 0 285.407 1.411 10 0 CDAERP CC(C)[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001282139676 942668124 /nfs/dbraw/zinc/66/81/24/942668124.db2.gz DQUORPJIRFDJGP-NWDGAFQWSA-N 2 0 255.406 1.362 10 0 CDAERP CC[N@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001282497634 942723263 /nfs/dbraw/zinc/72/32/63/942723263.db2.gz PFVAVQVYROLMNW-KGLIPLIRSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@H]2CCC[NH+](C)C2)C1 ZINC001362153622 970952257 /nfs/dbraw/zinc/95/22/57/970952257.db2.gz FENSFFJPAXLPLZ-JKSUJKDBSA-N 2 0 295.471 1.907 10 0 CDAERP CCCCC[NH2+]C1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001284815935 943262687 /nfs/dbraw/zinc/26/26/87/943262687.db2.gz PBFLATXLMZHSQF-UHFFFAOYSA-N 2 0 293.455 1.851 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001316635914 943287843 /nfs/dbraw/zinc/28/78/43/943287843.db2.gz XGESIMAFIFLGLN-SHTZXODSSA-N 2 0 293.455 1.779 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001332321336 943796329 /nfs/dbraw/zinc/79/63/29/943796329.db2.gz IUENZAPXKVOWBD-KGLIPLIRSA-N 2 0 269.433 1.613 10 0 CDAERP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[NH2+]CC1CC1 ZINC001264517926 944145363 /nfs/dbraw/zinc/14/53/63/944145363.db2.gz MWZKUMZTWIMHEH-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[C@@H](C(=O)NCCC[N@H+](C)CCF)[NH+]1CCCC1 ZINC001265072687 944219679 /nfs/dbraw/zinc/21/96/79/944219679.db2.gz BUUPSTJECSABKK-AWEZNQCLSA-N 2 0 287.423 1.514 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)C1CC1 ZINC001265177428 944263757 /nfs/dbraw/zinc/26/37/57/944263757.db2.gz SCTSDIWIEVHLHK-HOTGVXAUSA-N 2 0 293.455 1.994 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCCC[C@H]2C[NH2+]CCF)C1 ZINC001265687566 944469737 /nfs/dbraw/zinc/46/97/37/944469737.db2.gz CFHYZIJRSBSACN-KBPBESRZSA-N 2 0 285.407 1.268 10 0 CDAERP COC[C@@H](C)[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001265844989 944538249 /nfs/dbraw/zinc/53/82/49/944538249.db2.gz ABFHVRYMNOCDPQ-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CCC(C)(C)C)C1 ZINC001277997105 944540572 /nfs/dbraw/zinc/54/05/72/944540572.db2.gz IASNOSJAJITNMI-HUUCEWRRSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC[C@H]2CCC[N@H+](C)C2)C1 ZINC001362272239 971100721 /nfs/dbraw/zinc/10/07/21/971100721.db2.gz UNJQSRKXLKWXST-RBSFLKMASA-N 2 0 281.444 1.565 10 0 CDAERP C[NH+](C)CC1(C(=O)N2CC[C@@H](C[NH2+]CCC3CC3)C2)CC1 ZINC001266009436 944627835 /nfs/dbraw/zinc/62/78/35/944627835.db2.gz SQRODRPQLPMVIW-HNNXBMFYSA-N 2 0 293.455 1.566 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC(C)C ZINC001568858896 1169521126 /nfs/dbraw/zinc/52/11/26/1169521126.db2.gz VCPBEIQHFQFKNM-NFAHFFEMSA-N 2 0 281.444 1.779 10 0 CDAERP CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001479495091 971333057 /nfs/dbraw/zinc/33/30/57/971333057.db2.gz OGTYKUFYZXGDJI-QWHCGFSZSA-N 2 0 255.406 1.221 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1CCC[N@H+](CC=C(C)C)C1)[NH+](C)C ZINC001479910114 971482969 /nfs/dbraw/zinc/48/29/69/971482969.db2.gz HGKUIKWOJWRRCY-GJZGRUSLSA-N 2 0 281.444 1.873 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001480211058 971630332 /nfs/dbraw/zinc/63/03/32/971630332.db2.gz NFDKGLVYGNHCLM-FVCCEPFGSA-N 2 0 273.396 1.312 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1C[C@H]([NH+](C)C)C1(C)C)[NH+](CC)CC ZINC001362825478 971647643 /nfs/dbraw/zinc/64/76/43/971647643.db2.gz HANUTXSAULHQPF-MCIONIFRSA-N 2 0 283.460 1.952 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001278585369 950267642 /nfs/dbraw/zinc/26/76/42/950267642.db2.gz LCQRSIIKRVXTTK-ZIAGYGMSSA-N 2 0 281.444 1.613 10 0 CDAERP C[NH+](C)[C@@H]1C[C@H](NC(=O)CC[N@@H+]2CC[C@@H](F)C2)C1(C)C ZINC001362827242 971648746 /nfs/dbraw/zinc/64/87/46/971648746.db2.gz MMYUAADDSVIYKA-FRRDWIJNSA-N 2 0 285.407 1.265 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001362833818 971653111 /nfs/dbraw/zinc/65/31/11/971653111.db2.gz IDZFMWPSWSIEPY-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@@H](C(=O)N1C[C@@H]([NH2+]CCCF)C(C)(C)C1)[NH+](C)C ZINC001278667358 951303634 /nfs/dbraw/zinc/30/36/34/951303634.db2.gz PUQPLWCKKBKLOX-QWHCGFSZSA-N 2 0 287.423 1.513 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1F ZINC001480590633 971797620 /nfs/dbraw/zinc/79/76/20/971797620.db2.gz QQOCSEFFGCXURE-GXTWGEPZSA-N 2 0 293.386 1.372 10 0 CDAERP CC(C)=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001480616416 971810272 /nfs/dbraw/zinc/81/02/72/971810272.db2.gz PSLSNJGSHSEABI-LSDHHAIUSA-N 2 0 279.428 1.627 10 0 CDAERP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCC(C)(C)C ZINC001480808566 971887910 /nfs/dbraw/zinc/88/79/10/971887910.db2.gz MMRWLAJPMGXUAI-ZIAGYGMSSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@H](C[N@H+](C)CC1CC1)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001569146260 1169689684 /nfs/dbraw/zinc/68/96/84/1169689684.db2.gz AYLXKNXRCHQXCS-TZMCWYRMSA-N 2 0 267.417 1.175 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CCC(C)(C)C ZINC001493058973 971934334 /nfs/dbraw/zinc/93/43/34/971934334.db2.gz UBPWPMYYUKNXOP-AWEZNQCLSA-N 2 0 283.460 1.812 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC(C)C)CC2)C1 ZINC001363639479 953588926 /nfs/dbraw/zinc/58/89/26/953588926.db2.gz HFLAWDCXZQGXJB-INIZCTEOSA-N 2 0 295.471 1.955 10 0 CDAERP OC1(C[NH+]2CCCCC2)CC[NH+](CCOC2CC2)CC1 ZINC001363853691 953918461 /nfs/dbraw/zinc/91/84/61/953918461.db2.gz SDPGQHRCMIGWJQ-UHFFFAOYSA-N 2 0 282.428 1.478 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CC[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001493213156 971986216 /nfs/dbraw/zinc/98/62/16/971986216.db2.gz ZATKMMVGTCVVSV-ZIAGYGMSSA-N 2 0 299.434 1.657 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@@H]1CCCC[C@H]1C[NH2+]CCF ZINC001569175051 1169704152 /nfs/dbraw/zinc/70/41/52/1169704152.db2.gz ORMXPSKADGOVFV-UONOGXRCSA-N 2 0 285.407 1.316 10 0 CDAERP CC[C@]1(C(=O)NCCC[N@H+](C)CC(C)C)CC[NH2+]C1 ZINC001326588770 954444745 /nfs/dbraw/zinc/44/47/45/954444745.db2.gz KPVPIAIIPASMJQ-HNNXBMFYSA-N 2 0 269.433 1.470 10 0 CDAERP CC[N@H+](C)[C@@H]1CCN(C(=O)NCC[NH+]2CCC[C@@H]2C)C1 ZINC001364347885 954486094 /nfs/dbraw/zinc/48/60/94/954486094.db2.gz DYBOKKPKOBBNKO-UONOGXRCSA-N 2 0 282.432 1.206 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001364348541 954486393 /nfs/dbraw/zinc/48/63/93/954486393.db2.gz PVWXTTLUPMRYEX-JKSUJKDBSA-N 2 0 283.460 1.371 10 0 CDAERP OC1(C[NH+]2CCCCC2)CC[NH+](CCOC2CCC2)CC1 ZINC001363314155 972078683 /nfs/dbraw/zinc/07/86/83/972078683.db2.gz RTQBBUAIWBSOQX-UHFFFAOYSA-N 2 0 296.455 1.868 10 0 CDAERP C[C@@H](CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)C[NH+]1CCOCC1 ZINC001421556962 955409315 /nfs/dbraw/zinc/40/93/15/955409315.db2.gz JNHFINYGGJPTDV-BRWVUGGUSA-N 2 0 295.471 1.371 10 0 CDAERP CC(C)[C@H](C(=O)N1CC[C@@H](C[NH2+]CCCF)C1)[NH+](C)C ZINC001491833800 955459732 /nfs/dbraw/zinc/45/97/32/955459732.db2.gz TWPNGJNTSLCBQJ-UONOGXRCSA-N 2 0 287.423 1.370 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001491858503 955472612 /nfs/dbraw/zinc/47/26/12/955472612.db2.gz JPUUOFIHDNGBDU-KBPBESRZSA-N 2 0 278.400 1.367 10 0 CDAERP CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CCC1 ZINC001421773220 955538378 /nfs/dbraw/zinc/53/83/78/955538378.db2.gz MJPMGJZKOAHRTG-ZIAGYGMSSA-N 2 0 279.428 1.652 10 0 CDAERP CCCCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001491991886 955568099 /nfs/dbraw/zinc/56/80/99/955568099.db2.gz DCOUTSREEUIPEB-KGLIPLIRSA-N 2 0 269.433 1.755 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NCC[C@@H](C)[NH2+]CC1CC1 ZINC001492129009 955641414 /nfs/dbraw/zinc/64/14/14/955641414.db2.gz LDEINHHAYDSBAK-GFCCVEGCSA-N 2 0 255.406 1.221 10 0 CDAERP C[C@@H](CCNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CCCF ZINC001492110159 955632654 /nfs/dbraw/zinc/63/26/54/955632654.db2.gz ANIKCPNZAYBWDJ-QWHCGFSZSA-N 2 0 273.396 1.172 10 0 CDAERP CC[NH2+]C1(CC)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001421953443 955673926 /nfs/dbraw/zinc/67/39/26/955673926.db2.gz UMGSKVCECDIVPR-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccccn1)N(C)C(=O)C[NH+]1CCCC1 ZINC001422000809 955692586 /nfs/dbraw/zinc/69/25/86/955692586.db2.gz XUYYDRWAKKUXNQ-AWEZNQCLSA-N 2 0 290.411 1.114 10 0 CDAERP CC(C)C[NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001422135926 955766349 /nfs/dbraw/zinc/76/63/49/955766349.db2.gz RGPJWEMCDZQRBG-CQSZACIVSA-N 2 0 281.444 1.469 10 0 CDAERP CCC[N@@H+]1CCCC[C@@H]1C(=O)NCCC1(C[NH3+])CC1 ZINC001329758191 956100964 /nfs/dbraw/zinc/10/09/64/956100964.db2.gz FAPTXOWKURJDJU-CYBMUJFWSA-N 2 0 267.417 1.496 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1ccsc1)[NH+](C)C ZINC001422588010 956178472 /nfs/dbraw/zinc/17/84/72/956178472.db2.gz ZWSJFUWVBLFWNK-OCCSQVGLSA-N 2 0 297.468 1.929 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@@H](C[NH2+]CCC2CCCC2)C1 ZINC001317333274 956187444 /nfs/dbraw/zinc/18/74/44/956187444.db2.gz CMNNFEIRMQOHSS-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001366030851 956524866 /nfs/dbraw/zinc/52/48/66/956524866.db2.gz ROWONILYISQEJM-HUUCEWRRSA-N 2 0 281.444 1.611 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]CC2CCC2)C2CC2)C1 ZINC001423060814 956549992 /nfs/dbraw/zinc/54/99/92/956549992.db2.gz OBVUXNPFJBCMPQ-CABCVRRESA-N 2 0 279.428 1.223 10 0 CDAERP O=C(N[C@H]1C[C@@H]([NH2+]C/C=C\Cl)C1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001366151975 956603180 /nfs/dbraw/zinc/60/31/80/956603180.db2.gz XTKDYFHKEDTFGY-VGGWXTIRSA-N 2 0 294.786 1.503 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCC2)C1 ZINC001366167921 956615345 /nfs/dbraw/zinc/61/53/45/956615345.db2.gz MFOOAPZWTJORLP-GASCZTMLSA-N 2 0 281.444 1.754 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001316860612 956657130 /nfs/dbraw/zinc/65/71/30/956657130.db2.gz ZJVUGKGVDFGTTD-LSDHHAIUSA-N 2 0 283.460 1.812 10 0 CDAERP CC[NH2+]CCC[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001330933174 956712382 /nfs/dbraw/zinc/71/23/82/956712382.db2.gz RDZMUMKBMRMXQW-ZDUSSCGKSA-N 2 0 269.433 1.613 10 0 CDAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC1CC1 ZINC001366324609 956747090 /nfs/dbraw/zinc/74/70/90/956747090.db2.gz BKHJZYYKNGCEDM-HIFRSBDPSA-N 2 0 281.444 1.754 10 0 CDAERP C[NH+](C)CC1(C(=O)N2C[C@H]([NH2+]CCF)C(C)(C)C2)CC1 ZINC001423403324 956762664 /nfs/dbraw/zinc/76/26/64/956762664.db2.gz OXKCOVCGFKSSAW-LBPRGKRZSA-N 2 0 285.407 1.124 10 0 CDAERP C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1ccsc1 ZINC001316866206 956772931 /nfs/dbraw/zinc/77/29/31/956772931.db2.gz ZIVRCVUNRLQSIX-CQSZACIVSA-N 2 0 295.452 1.638 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC1CCC1 ZINC001366369307 956774780 /nfs/dbraw/zinc/77/47/80/956774780.db2.gz UBOCPDMGIHNRNX-UKRRQHHQSA-N 2 0 281.444 1.755 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]C[C@@H]1CCCCO1 ZINC001423481681 956801651 /nfs/dbraw/zinc/80/16/51/956801651.db2.gz ZSFKEHXLAKTBQB-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H]1C[NH2+]C[C@@H]1CCCCO1 ZINC001423481684 956802068 /nfs/dbraw/zinc/80/20/68/956802068.db2.gz ZSFKEHXLAKTBQB-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP Cc1cccc(C[NH2+][C@H](C)CCNC(=O)CC[NH+](C)C)c1 ZINC001366490717 956871580 /nfs/dbraw/zinc/87/15/80/956871580.db2.gz QKAOOGYOBIIOQJ-OAHLLOKOSA-N 2 0 291.439 1.931 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+](CC[C@@H]2CCCO2)C1 ZINC001423585625 956883017 /nfs/dbraw/zinc/88/30/17/956883017.db2.gz MNESOCYKEKRGPN-HOCLYGCPSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@](C)(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001423588254 956884528 /nfs/dbraw/zinc/88/45/28/956884528.db2.gz PEMOSXVNNAAVDK-WBVHZDCISA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](C(=O)N(C)[C@H](C[NH2+]CCF)C1CC1)[NH+](C)C ZINC001331348527 956985471 /nfs/dbraw/zinc/98/54/71/956985471.db2.gz SSDNDRLDPFCUJS-CHWSQXEVSA-N 2 0 273.396 1.123 10 0 CDAERP CCOCC[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001331516638 957112970 /nfs/dbraw/zinc/11/29/70/957112970.db2.gz BNDAMCGUAWSEQI-CQSZACIVSA-N 2 0 299.459 1.334 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H]([NH2+]CCCF)C2CC2)CC[N@@H+]1C ZINC001317016823 957204267 /nfs/dbraw/zinc/20/42/67/957204267.db2.gz GPTLQQKRESRBPJ-RRFJBIMHSA-N 2 0 299.434 1.561 10 0 CDAERP O=C(N[C@H]1C[C@@H]([NH2+]CCCF)C1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001317111347 957277691 /nfs/dbraw/zinc/27/76/91/957277691.db2.gz ABCHKLGNUXDGON-XGUBFFRZSA-N 2 0 297.418 1.600 10 0 CDAERP CCN(C(=O)C[NH+]1CC[C@@H](C)C1)[C@@H]1CC[N@H+](CCCF)C1 ZINC001367070959 957384970 /nfs/dbraw/zinc/38/49/70/957384970.db2.gz KXPVAFYZKUWZLP-HUUCEWRRSA-N 2 0 299.434 1.611 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC=C(C)C)C[C@H]1C ZINC001332045093 957413278 /nfs/dbraw/zinc/41/32/78/957413278.db2.gz DPKBSXNZHMHEOH-CABCVRRESA-N 2 0 281.444 1.873 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOC)CC1(C)C ZINC001425327683 957513061 /nfs/dbraw/zinc/51/30/61/957513061.db2.gz XMVVZTQOZOFENO-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C(C)(C)C ZINC001426148347 957707692 /nfs/dbraw/zinc/70/76/92/957707692.db2.gz OWPKYHRIOZPUIC-CYBMUJFWSA-N 2 0 281.444 1.611 10 0 CDAERP CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]C(C)C)[NH+](CC)CC ZINC001367375889 957976220 /nfs/dbraw/zinc/97/62/20/957976220.db2.gz ASFGPMDHASGIKQ-KGLIPLIRSA-N 2 0 271.449 1.952 10 0 CDAERP CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1nccs1)[NH+](C)C ZINC001367398455 957993023 /nfs/dbraw/zinc/99/30/23/957993023.db2.gz ODCDRBVZEYYRMA-VXGBXAGGSA-N 2 0 298.456 1.420 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)C[NH2+]C(C)(C)C)CC1 ZINC001318763058 958256254 /nfs/dbraw/zinc/25/62/54/958256254.db2.gz CMGBNOBCRORNEC-UHFFFAOYSA-N 2 0 269.433 1.613 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C[NH2+]CCC1CC1 ZINC001319207929 958435092 /nfs/dbraw/zinc/43/50/92/958435092.db2.gz JKBYCFRWKOTPDX-DZGCQCFKSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)C[NH2+]C[C@@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001367893966 958465562 /nfs/dbraw/zinc/46/55/62/958465562.db2.gz FNARZXUALWGBPH-JKSUJKDBSA-N 2 0 293.455 1.469 10 0 CDAERP C[C@H](C[NH2+]CCC1CC1)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001319460370 958576346 /nfs/dbraw/zinc/57/63/46/958576346.db2.gz KWENBNBKVLOGEF-CJNGLKHVSA-N 2 0 293.455 1.565 10 0 CDAERP COCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001319486799 958589029 /nfs/dbraw/zinc/58/90/29/958589029.db2.gz RQOVAYOQXGJFNY-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CCOC)C1 ZINC001319515680 958606840 /nfs/dbraw/zinc/60/68/40/958606840.db2.gz RRFHGCJXYWORBR-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP COCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001319618907 958659796 /nfs/dbraw/zinc/65/97/96/958659796.db2.gz HMSXCWIOGIZFFC-GJZGRUSLSA-N 2 0 299.459 1.238 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+](Cc2ccccn2)C1 ZINC001368163874 958681556 /nfs/dbraw/zinc/68/15/56/958681556.db2.gz SSZGXOHJBDHBHC-INIZCTEOSA-N 2 0 290.411 1.114 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](CC3CC3)CC[C@@H]2C1 ZINC001368734035 959089203 /nfs/dbraw/zinc/08/92/03/959089203.db2.gz PIBLQJMFCOUIGC-CABCVRRESA-N 2 0 279.428 1.128 10 0 CDAERP C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]Cc1cccnc1 ZINC001368885919 959228802 /nfs/dbraw/zinc/22/88/02/959228802.db2.gz PJSVDFLEXBGHLY-UONOGXRCSA-N 2 0 292.427 1.406 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CCCF ZINC001368948478 959313448 /nfs/dbraw/zinc/31/34/48/959313448.db2.gz FHKYXYHELJNIIV-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cccnc1 ZINC001369229705 959552339 /nfs/dbraw/zinc/55/23/39/959552339.db2.gz AQJDWUGZVRPHRC-HIFRSBDPSA-N 2 0 290.411 1.112 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC2CCC2)CC[N@@H+]1C ZINC001369250487 959578124 /nfs/dbraw/zinc/57/81/24/959578124.db2.gz UWEQYWNDEBLDCH-VNQPRFMTSA-N 2 0 295.471 1.953 10 0 CDAERP O=C(NC/C=C\C[NH2+]CC1CC1)C12CCC[NH+]1CCC2 ZINC001321134407 959612565 /nfs/dbraw/zinc/61/25/65/959612565.db2.gz CSKKQTVGTNDJMX-UPHRSURJSA-N 2 0 277.412 1.287 10 0 CDAERP CC[NH2+]C/C=C/CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001321335053 959726922 /nfs/dbraw/zinc/72/69/22/959726922.db2.gz IYYGLPWCCYNZSG-ONEGZZNKSA-N 2 0 279.428 1.390 10 0 CDAERP CC[C@@H](C(=O)NC/C=C/C[NH2+]CC=C(C)C)[NH+](C)C ZINC001321335475 959728181 /nfs/dbraw/zinc/72/81/81/959728181.db2.gz HIMBODKYRBNUDV-NPQIQWPPSA-N 2 0 267.417 1.555 10 0 CDAERP CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001322258623 960156266 /nfs/dbraw/zinc/15/62/66/960156266.db2.gz OVGZRJZZDSEGGT-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP CCC[N@H+](C)C[C@@H](C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001322280720 960165134 /nfs/dbraw/zinc/16/51/34/960165134.db2.gz JLTFISSNBOBPRD-OLZOCXBDSA-N 2 0 255.406 1.175 10 0 CDAERP CC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001370761299 960195626 /nfs/dbraw/zinc/19/56/26/960195626.db2.gz REZIGBXGHKRRJZ-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001323001198 960399695 /nfs/dbraw/zinc/39/96/95/960399695.db2.gz WAGYKHJAAAVWSM-GJZGRUSLSA-N 2 0 281.444 1.754 10 0 CDAERP CC(C)[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001418645778 960843638 /nfs/dbraw/zinc/84/36/38/960843638.db2.gz IGTYZSQEAKWTRJ-NMWPEEMBSA-N 2 0 281.444 1.752 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]CCCC3CCC3)CC2)C1 ZINC001323614508 960863918 /nfs/dbraw/zinc/86/39/18/960863918.db2.gz ZJHZHDJIOYJANV-OAHLLOKOSA-N 2 0 293.455 1.757 10 0 CDAERP CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](CCCF)C1 ZINC001418879455 961121309 /nfs/dbraw/zinc/12/13/09/961121309.db2.gz XIIFPIDAQOCHOX-CQSZACIVSA-N 2 0 287.423 1.611 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)C1 ZINC001434303152 961147084 /nfs/dbraw/zinc/14/70/84/961147084.db2.gz MBGXTTGBOWRJLS-CAOSSQGBSA-N 2 0 293.455 1.659 10 0 CDAERP CCC(CC)C[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001419129335 961403828 /nfs/dbraw/zinc/40/38/28/961403828.db2.gz YMFJQIHEDRBKKV-OAHLLOKOSA-N 2 0 283.460 1.907 10 0 CDAERP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C[NH2+]CC1CC1 ZINC001419507021 961773128 /nfs/dbraw/zinc/77/31/28/961773128.db2.gz PCJRKEWLVHLSRZ-CYBMUJFWSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+](CC2CCC2)C1 ZINC001419564245 961818696 /nfs/dbraw/zinc/81/86/96/961818696.db2.gz VKBJVWNBARGWOH-INIZCTEOSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@H+](C)[C@H]1CCN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC001434817881 961966843 /nfs/dbraw/zinc/96/68/43/961966843.db2.gz VMOFOGSAWPXUFL-MELADBBJSA-N 2 0 282.432 1.062 10 0 CDAERP CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1cnc(C)o1)[NH+](C)C ZINC001419741497 962059241 /nfs/dbraw/zinc/05/92/41/962059241.db2.gz VXUQYCKFMNTCBA-BXUZGUMPSA-N 2 0 296.415 1.260 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC1CCCC1 ZINC001419778482 962102189 /nfs/dbraw/zinc/10/21/89/962102189.db2.gz RERBWBQWJBPYEA-UKRRQHHQSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H]([NH2+]CCF)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001419829427 962135760 /nfs/dbraw/zinc/13/57/60/962135760.db2.gz LREDSFLYTDEORK-STQMWFEESA-N 2 0 273.396 1.124 10 0 CDAERP CC[C@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CCCF)[NH+](C)C ZINC001436322637 962178292 /nfs/dbraw/zinc/17/82/92/962178292.db2.gz NZCZTLNUCKJHAB-CHWSQXEVSA-N 2 0 273.396 1.219 10 0 CDAERP CC(C)[NH2+][C@@H](CNC(=O)[C@@]12CC[N@H+](C1)CCC2)C(C)C ZINC001419917573 962238617 /nfs/dbraw/zinc/23/86/17/962238617.db2.gz BGPXFFXHZRPNHC-HOCLYGCPSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@@]1(CO)CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001339224336 962251552 /nfs/dbraw/zinc/25/15/52/962251552.db2.gz MGYSKEMQSZBAPF-JALIKCBVSA-N 2 0 252.402 1.611 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001419974080 962314363 /nfs/dbraw/zinc/31/43/63/962314363.db2.gz WGMWCPSRBKYGAK-ZIAGYGMSSA-N 2 0 287.423 1.609 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCNC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001420304036 962707011 /nfs/dbraw/zinc/70/70/11/962707011.db2.gz WXJKLTLJKJJQBB-RYUDHWBXSA-N 2 0 284.379 1.384 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CC1CCC(C)CC1 ZINC001437195283 962724475 /nfs/dbraw/zinc/72/44/75/962724475.db2.gz BMVFBLJHOPFKBT-SHARSMKWSA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001437226267 962753524 /nfs/dbraw/zinc/75/35/24/962753524.db2.gz ZAGAIEVNYDJEQI-HNNXBMFYSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC001437723889 963145071 /nfs/dbraw/zinc/14/50/71/963145071.db2.gz FQCTULSHQNBUMZ-HIFRSBDPSA-N 2 0 279.428 1.176 10 0 CDAERP C[C@H](C[N@H+](C)CC[C@@H]1CCCO1)NC(=O)C[NH+]1CCCC1 ZINC001420656268 963165363 /nfs/dbraw/zinc/16/53/63/963165363.db2.gz DQRWKPXFVLSRII-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]C/C=C\Cl)C1 ZINC001438009009 963281128 /nfs/dbraw/zinc/28/11/28/963281128.db2.gz WAHHNYVALVXHIB-KNUBNCPHSA-N 2 0 285.819 1.414 10 0 CDAERP CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001421238963 963513252 /nfs/dbraw/zinc/51/32/52/963513252.db2.gz PUBREHMXEDHGCM-HOCLYGCPSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccc(F)cn1)N(C)C(=O)CC[NH+](C)C ZINC001438677858 963522546 /nfs/dbraw/zinc/52/25/46/963522546.db2.gz XNWOMBOBDXQRCE-LBPRGKRZSA-N 2 0 296.390 1.109 10 0 CDAERP C[C@H](C[NH2+]CC1CCC1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001439131373 963650874 /nfs/dbraw/zinc/65/08/74/963650874.db2.gz MREUUOVDLTUHEB-CQSZACIVSA-N 2 0 293.455 1.757 10 0 CDAERP C[C@H](F)CC[N@H+](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001439328824 963723145 /nfs/dbraw/zinc/72/31/45/963723145.db2.gz CQXFRIJGOXBINH-STQMWFEESA-N 2 0 287.423 1.655 10 0 CDAERP C[C@H](C[N@H+](C)CC1CC2(CCC2)C1)NC(=O)CC[NH+](C)C ZINC001439365983 963738968 /nfs/dbraw/zinc/73/89/68/963738968.db2.gz RBPATDAUTOMFMT-CQSZACIVSA-N 2 0 295.471 1.955 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NCC2(C)CC[NH+](CCF)CC2)C1 ZINC001439926831 963896627 /nfs/dbraw/zinc/89/66/27/963896627.db2.gz WLROWOBKNBKMGI-CQSZACIVSA-N 2 0 299.434 1.516 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[NH+](C(C)C)C2 ZINC001440111520 963928859 /nfs/dbraw/zinc/92/88/59/963928859.db2.gz OAAPLDDSKIOMEH-KKUMJFAQSA-N 2 0 281.444 1.706 10 0 CDAERP Cc1conc1C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001440669357 964132763 /nfs/dbraw/zinc/13/27/63/964132763.db2.gz LYWJZNZJRKCFRJ-GXTWGEPZSA-N 2 0 294.399 1.062 10 0 CDAERP Cc1ncoc1C[NH2+][C@@H](C)CCNC(=O)C[NH+]1CCCC1 ZINC001440679595 964134472 /nfs/dbraw/zinc/13/44/72/964134472.db2.gz HXBBNQPYWHJBRD-LBPRGKRZSA-N 2 0 294.399 1.063 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccns1 ZINC001440851985 964210389 /nfs/dbraw/zinc/21/03/89/964210389.db2.gz FZGKTMWLEDTSKE-NEPJUHHUSA-N 2 0 298.456 1.466 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccns1 ZINC001440851991 964211130 /nfs/dbraw/zinc/21/11/30/964211130.db2.gz FZGKTMWLEDTSKE-NWDGAFQWSA-N 2 0 298.456 1.466 10 0 CDAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH+](C)CCC1CC1 ZINC001440974272 964302047 /nfs/dbraw/zinc/30/20/47/964302047.db2.gz TXPXVJSXCFGCCK-UONOGXRCSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)CCC1CCCC1 ZINC001441006300 964322104 /nfs/dbraw/zinc/32/21/04/964322104.db2.gz BLWMDOWWTJFRDC-GOEBONIOSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccon2)C1 ZINC001441376855 964483171 /nfs/dbraw/zinc/48/31/71/964483171.db2.gz GUXMNBNGEYHEQT-MQMHXKEQSA-N 2 0 294.399 1.001 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+]Cc1ocnc1C ZINC001441630157 964624759 /nfs/dbraw/zinc/62/47/59/964624759.db2.gz ZAIARUNKKSARMU-LBPRGKRZSA-N 2 0 296.415 1.261 10 0 CDAERP CC[N@H+](CCCNC(=O)Cc1c[nH]cn1)CC1CC1 ZINC001479855436 964829881 /nfs/dbraw/zinc/82/98/81/964829881.db2.gz GPIMUFSCAANHBQ-UHFFFAOYSA-N 2 0 264.373 1.190 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccsc1 ZINC001442048778 964843564 /nfs/dbraw/zinc/84/35/64/964843564.db2.gz KKYBXIDUHRCKHG-WCQYABFASA-N 2 0 281.425 1.294 10 0 CDAERP CC(C)N(CC[N@H+](C)C[C@@H]1CCOC1)C(=O)CC[NH+](C)C ZINC001442117738 964874799 /nfs/dbraw/zinc/87/47/99/964874799.db2.gz OSAXVGULEWLOSI-HNNXBMFYSA-N 2 0 299.459 1.143 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N1CCC[C@H]([N@@H+](C)CC)C1 ZINC001442193066 964905175 /nfs/dbraw/zinc/90/51/75/964905175.db2.gz GBYSKRURXGUHKL-KBPBESRZSA-N 2 0 287.423 1.609 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)C1CC[NH+](CCOC)CC1 ZINC001442203531 964912468 /nfs/dbraw/zinc/91/24/68/964912468.db2.gz JLKMDMAQUBTEND-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@H](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]C/C=C\Cl ZINC001442263310 964964820 /nfs/dbraw/zinc/96/48/20/964964820.db2.gz YTHPRNWYFZSYEZ-IIQFCBPVSA-N 2 0 299.846 1.565 10 0 CDAERP CC(C)CC[NH2+][C@H](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001442324615 964984167 /nfs/dbraw/zinc/98/41/67/964984167.db2.gz XJWMPCJMTZBTML-CABCVRRESA-N 2 0 283.460 1.859 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001442462194 965076168 /nfs/dbraw/zinc/07/61/68/965076168.db2.gz IMRAZXFOKBQPCJ-CYBMUJFWSA-N 2 0 285.407 1.411 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH+](C)C)C1 ZINC001442621048 965142110 /nfs/dbraw/zinc/14/21/10/965142110.db2.gz ZIACDYFNDFGKKF-CHWSQXEVSA-N 2 0 255.406 1.173 10 0 CDAERP C[C@@H]([NH2+]CCF)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001443131332 965363308 /nfs/dbraw/zinc/36/33/08/965363308.db2.gz BGZKUWNSNTVSNZ-CYBMUJFWSA-N 2 0 297.418 1.268 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001443274766 965423981 /nfs/dbraw/zinc/42/39/81/965423981.db2.gz SRCTWKWVSZZXRZ-GJZGRUSLSA-N 2 0 281.444 1.422 10 0 CDAERP CC(C)CC[NH+]1CC(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001443616072 965536090 /nfs/dbraw/zinc/53/60/90/965536090.db2.gz RQMARQXUAQZEPD-AWEZNQCLSA-N 2 0 281.444 1.422 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCC(F)(F)F ZINC001444038023 965720987 /nfs/dbraw/zinc/72/09/87/965720987.db2.gz LKYZVWNNIVAIIQ-GHMZBOCLSA-N 2 0 295.349 1.375 10 0 CDAERP CC[NH+](CC)CC[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001348330102 965934790 /nfs/dbraw/zinc/93/47/90/965934790.db2.gz UIHIEYAWTONLMA-CYBMUJFWSA-N 2 0 269.433 1.707 10 0 CDAERP CCC[NH2+][C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001444871245 965984255 /nfs/dbraw/zinc/98/42/55/965984255.db2.gz KMRVNSARCURMEE-GJZGRUSLSA-N 2 0 281.444 1.469 10 0 CDAERP CCN(CC[NH2+][C@@H](C)COC)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001445330695 966158786 /nfs/dbraw/zinc/15/87/86/966158786.db2.gz ZZUVYKOTLPLCRU-KKUMJFAQSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001445719468 966306481 /nfs/dbraw/zinc/30/64/81/966306481.db2.gz QLWBCLBFRYKFRC-GJZGRUSLSA-N 2 0 283.460 1.952 10 0 CDAERP CC(C)[NH2+]C[C@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001445960052 966401659 /nfs/dbraw/zinc/40/16/59/966401659.db2.gz JBFGHBAAKDBSCY-GJZGRUSLSA-N 2 0 281.444 1.754 10 0 CDAERP [NH3+][C@H]1CCc2ccccc2N(C[C@@H]2CCC[NH2+]C2)C1 ZINC001350398184 966655210 /nfs/dbraw/zinc/65/52/10/966655210.db2.gz LMRVAXCTIBHFEB-HIFRSBDPSA-N 2 0 259.397 1.766 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC1(NCc2ccon2)CCC1 ZINC001447250802 966733157 /nfs/dbraw/zinc/73/31/57/966733157.db2.gz NJZLURXUXUDKAN-UHFFFAOYSA-N 2 0 294.399 1.143 10 0 CDAERP CCCN1CC2(C1)CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)O2 ZINC001447389113 966776877 /nfs/dbraw/zinc/77/68/77/966776877.db2.gz RIMDXJQREBMMHT-ZIAGYGMSSA-N 2 0 297.443 1.086 10 0 CDAERP CC(C)[NH+](C)CC(=O)NC[C@H](C)[N@@H+](C)CC[C@@H](C)F ZINC001448142029 967011971 /nfs/dbraw/zinc/01/19/71/967011971.db2.gz IHJGUNWGKGIZAU-OLZOCXBDSA-N 2 0 275.412 1.511 10 0 CDAERP CC(C)[C@H](CCN(C)C(=O)C[NH+]1CCCC1)[NH2+]CC1CC1 ZINC001448218247 967034501 /nfs/dbraw/zinc/03/45/01/967034501.db2.gz HOMAZYSAQCIRSQ-INIZCTEOSA-N 2 0 295.471 1.955 10 0 CDAERP C[N@H+](CC(=O)N[C@H]1C[NH+](CCCF)CC1(C)C)C1CCC1 ZINC001448390716 967091559 /nfs/dbraw/zinc/09/15/59/967091559.db2.gz LRQVWYGVZUXYPG-AWEZNQCLSA-N 2 0 299.434 1.657 10 0 CDAERP CN(CCCC[NH+](C)C)C(=O)C1([NH+](C)C)CCCC1 ZINC001465341469 969868081 /nfs/dbraw/zinc/86/80/81/969868081.db2.gz OZGVETKMVIQMNU-UHFFFAOYSA-N 2 0 269.433 1.661 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC001465798855 969898685 /nfs/dbraw/zinc/89/86/85/969898685.db2.gz VAAHXUREUGANAJ-ILXRZTDVSA-N 2 0 281.444 1.517 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC(C)C ZINC001496079543 969948411 /nfs/dbraw/zinc/94/84/11/969948411.db2.gz HOXOUQCHQAUQRJ-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)CC[N@@H+]2CC[C@@H](F)C2)CC1 ZINC001361603740 970331336 /nfs/dbraw/zinc/33/13/36/970331336.db2.gz YALCCSAGMQNCDA-CYBMUJFWSA-N 2 0 285.407 1.409 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)[N@H+](C)C1CC1 ZINC001361897971 970654497 /nfs/dbraw/zinc/65/44/97/970654497.db2.gz BCVWZCKPAAESBK-VNHYZAJKSA-N 2 0 281.444 1.706 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC001361950291 970706783 /nfs/dbraw/zinc/70/67/83/970706783.db2.gz BPLJGHYPHBELCA-GJZGRUSLSA-N 2 0 293.455 1.707 10 0 CDAERP COCCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001496056347 972780130 /nfs/dbraw/zinc/78/01/30/972780130.db2.gz QMGYUQPOSNVXKV-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]CCF ZINC001496639827 973004849 /nfs/dbraw/zinc/00/48/49/973004849.db2.gz SYZMTJBDEBOVMN-GFCCVEGCSA-N 2 0 261.385 1.027 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC001372542989 973007231 /nfs/dbraw/zinc/00/72/31/973007231.db2.gz SQJXHRYVEJIBOF-HNNXBMFYSA-N 2 0 290.411 1.114 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCC[NH+]2CCC2CC2)C1 ZINC001372569097 973024118 /nfs/dbraw/zinc/02/41/18/973024118.db2.gz MXFYOZJAZNYNAH-CVEARBPZSA-N 2 0 293.455 1.709 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001372647830 973057776 /nfs/dbraw/zinc/05/77/76/973057776.db2.gz JNNAFIGPYNCOTO-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP C[C@H](CC[NH2+]C/C=C/Cl)NC(=O)CC[NH+](C)C ZINC001497265345 973256282 /nfs/dbraw/zinc/25/62/82/973256282.db2.gz UOPLVKWCSRJVFL-TZOMUSMUSA-N 2 0 261.797 1.175 10 0 CDAERP CCN(CC[NH2+]Cc1cccnc1)C(=O)C[NH+]1CCCC1 ZINC001497501945 973370037 /nfs/dbraw/zinc/37/00/37/973370037.db2.gz WEEHAYHZCJINTI-UHFFFAOYSA-N 2 0 290.411 1.116 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC[C@H](C)F)C1 ZINC001373613171 973519527 /nfs/dbraw/zinc/51/95/27/973519527.db2.gz QPNQWDYWNSSVLO-STQMWFEESA-N 2 0 273.396 1.267 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)[C@H]1CC[NH+](CC[C@H](C)F)C1 ZINC001373682617 973567991 /nfs/dbraw/zinc/56/79/91/973567991.db2.gz ANKHWHIEEOVLHH-KBPBESRZSA-N 2 0 287.423 1.609 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C)C[NH2+]CC=C(Cl)Cl)[NH+](C)C ZINC001497912541 973575048 /nfs/dbraw/zinc/57/50/48/973575048.db2.gz LUBOFMORGMGYFY-ZJUUUORDSA-N 2 0 296.242 1.740 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]CC1CC1)[NH+]1CCCC1 ZINC001497992657 973603019 /nfs/dbraw/zinc/60/30/19/973603019.db2.gz IGXAEPNQGRBIQM-UKRRQHHQSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@H](F)CC[N@@H+]1CCC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001418141913 973607579 /nfs/dbraw/zinc/60/75/79/973607579.db2.gz ZTPOHIOXYBLLJI-GJZGRUSLSA-N 2 0 299.434 1.659 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]C/C=C\c1ccccc1 ZINC001418269365 973713946 /nfs/dbraw/zinc/71/39/46/973713946.db2.gz QJIYBVSMCABMBH-XMELGKRDSA-N 2 0 289.423 1.746 10 0 CDAERP CCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001498280086 973806502 /nfs/dbraw/zinc/80/65/02/973806502.db2.gz INEGICPQKOWXRU-KGLIPLIRSA-N 2 0 269.433 1.706 10 0 CDAERP CC[C@@H](F)C[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001498460029 973896171 /nfs/dbraw/zinc/89/61/71/973896171.db2.gz YARNVLYHHSEMSA-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP CC(C)C[NH2+]CCCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001498622515 974002180 /nfs/dbraw/zinc/00/21/80/974002180.db2.gz VWQQEIGCOCAZSA-UHFFFAOYSA-N 2 0 283.460 1.812 10 0 CDAERP C[C@H](C[N@H+](C)CCC(C)(C)C)NC(=O)CC[NH+](C)C ZINC001375104178 974261719 /nfs/dbraw/zinc/26/17/19/974261719.db2.gz WYJJXCBAZJIRHF-CYBMUJFWSA-N 2 0 271.449 1.811 10 0 CDAERP CC(C)C[NH2+][C@H]1C[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001375558198 974422940 /nfs/dbraw/zinc/42/29/40/974422940.db2.gz QOVRRNNDJWWOLJ-KKUMJFAQSA-N 2 0 281.444 1.469 10 0 CDAERP CCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001500367535 974427161 /nfs/dbraw/zinc/42/71/61/974427161.db2.gz HVSBCBZGCKXBHA-ZBFHGGJFSA-N 2 0 281.444 1.709 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](C/C=C/Cl)C[C@@H]2C1 ZINC001501229909 974552629 /nfs/dbraw/zinc/55/26/29/974552629.db2.gz LPVKHCGGJVIBMS-AYKMPCHXSA-N 2 0 285.819 1.081 10 0 CDAERP CC[C@H](C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1)OC ZINC001376330026 974633195 /nfs/dbraw/zinc/63/31/95/974633195.db2.gz CUPCWISBBDJCMP-ZNMIVQPWSA-N 2 0 297.443 1.086 10 0 CDAERP CCC[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CCC1 ZINC001502017543 974674827 /nfs/dbraw/zinc/67/48/27/974674827.db2.gz NSIJVXJUGNWYOQ-CYBMUJFWSA-N 2 0 267.417 1.367 10 0 CDAERP CCCC[N@@H+]1CCC[C@](CO)(NC(=O)CC[NH+](C)CC)C1 ZINC001376501385 974676227 /nfs/dbraw/zinc/67/62/27/974676227.db2.gz QTPGJKYPNOKTNQ-INIZCTEOSA-N 2 0 299.459 1.071 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CCC[C@H](CNC(=O)Cc2ncc[nH]2)C1 ZINC001376533377 974682256 /nfs/dbraw/zinc/68/22/56/974682256.db2.gz UEHLMMXJRHIYMW-CHWSQXEVSA-N 2 0 296.390 1.529 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001376608331 974695106 /nfs/dbraw/zinc/69/51/06/974695106.db2.gz YYFQPDDZDKEMLW-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1CCC[NH+](CCF)CC1 ZINC001502125480 974700458 /nfs/dbraw/zinc/70/04/58/974700458.db2.gz DETASQURKLLLOG-LSDHHAIUSA-N 2 0 299.434 1.801 10 0 CDAERP C[C@H](CNC(=O)CCC[NH+](C)C)[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001376803944 974775826 /nfs/dbraw/zinc/77/58/26/974775826.db2.gz NNFRGTKDBBWWSN-ZIAGYGMSSA-N 2 0 299.459 1.238 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC1CC2(CCC2)C1 ZINC001376883951 974802684 /nfs/dbraw/zinc/80/26/84/974802684.db2.gz OYFOUWFDBFGPJA-ZFWWWQNUSA-N 2 0 293.455 1.613 10 0 CDAERP C[C@H](F)CC[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001376985536 974838890 /nfs/dbraw/zinc/83/88/90/974838890.db2.gz ZILUNSIEQLPWPP-KBPBESRZSA-N 2 0 287.423 1.609 10 0 CDAERP CCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001377007190 974851066 /nfs/dbraw/zinc/85/10/66/974851066.db2.gz XEAFUSOMFXMURE-HUUCEWRRSA-N 2 0 281.444 1.661 10 0 CDAERP C[N@H+](CCCF)CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001377231238 974937092 /nfs/dbraw/zinc/93/70/92/974937092.db2.gz WARQIAJQSKJTAK-KGLIPLIRSA-N 2 0 285.407 1.411 10 0 CDAERP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@H](C)[NH2+]CCC1CC1 ZINC001505622170 974941338 /nfs/dbraw/zinc/94/13/38/974941338.db2.gz QNAGELQUJMXEHT-QWHCGFSZSA-N 2 0 281.444 1.754 10 0 CDAERP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@@H](C)[NH2+]CCC1CC1 ZINC001505622168 974941574 /nfs/dbraw/zinc/94/15/74/974941574.db2.gz QNAGELQUJMXEHT-CHWSQXEVSA-N 2 0 281.444 1.754 10 0 CDAERP Cc1ccncc1C[NH2+][C@@H](C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001505686951 974963456 /nfs/dbraw/zinc/96/34/56/974963456.db2.gz WZPMZPARAUPUST-KBPBESRZSA-N 2 0 292.427 1.325 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)CCCF ZINC001505989400 975073557 /nfs/dbraw/zinc/07/35/57/975073557.db2.gz SVSMHXFUWQYYOL-MJBXVCDLSA-N 2 0 287.423 1.513 10 0 CDAERP O=C(NCC[C@H]1CC[N@@H+](CCF)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001377702353 975115266 /nfs/dbraw/zinc/11/52/66/975115266.db2.gz WUVFUQRJSXAQKL-ZFWWWQNUSA-N 2 0 297.418 1.126 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]CC2CC2)CC1 ZINC001377879250 975164324 /nfs/dbraw/zinc/16/43/24/975164324.db2.gz URWIENJBTRVGBD-ZIAGYGMSSA-N 2 0 295.471 2.000 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NCC2C[NH+](CC3CCCC3)C2)C1 ZINC001377998190 975200231 /nfs/dbraw/zinc/20/02/31/975200231.db2.gz YGAYSGXZZRBZMT-AWEZNQCLSA-N 2 0 293.455 1.566 10 0 CDAERP CC(C)C[C@@H](C)C[NH+]1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001378029826 975211514 /nfs/dbraw/zinc/21/15/14/975211514.db2.gz YTFAJPZUSPYMMA-OAHLLOKOSA-N 2 0 295.471 1.812 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2)CN1C(=O)CC[NH+](C)C ZINC001507318125 975414137 /nfs/dbraw/zinc/41/41/37/975414137.db2.gz IBPKKYCESMIWFI-GOEBONIOSA-N 2 0 289.423 1.717 10 0 CDAERP C[C@H]1C[C@H]([NH2+]CCCF)CN1C(=O)CCC[NH+]1CCCC1 ZINC001507344708 975424370 /nfs/dbraw/zinc/42/43/70/975424370.db2.gz ZNHWHLLNGRUBIT-GJZGRUSLSA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CCF)C1 ZINC001507428356 975468135 /nfs/dbraw/zinc/46/81/35/975468135.db2.gz PGDCUUKUDACJFB-STQMWFEESA-N 2 0 273.396 1.171 10 0 CDAERP CC[C@H](C(=O)N(C)C1CC([NH2+]CCF)C1)[NH+](CC)CC ZINC001508133314 975619225 /nfs/dbraw/zinc/61/92/25/975619225.db2.gz MOACDHDGCVXGKL-JXQTWKCFSA-N 2 0 287.423 1.655 10 0 CDAERP CO[C@@H](C)C[N@H+](C)CCN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001379065623 975633184 /nfs/dbraw/zinc/63/31/84/975633184.db2.gz PJJLSFWWUCVGRU-LSDHHAIUSA-N 2 0 299.459 1.286 10 0 CDAERP CC[C@@H](F)CN(C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001379122800 975676695 /nfs/dbraw/zinc/67/66/95/975676695.db2.gz ACORTWSOJGBMTB-CYBMUJFWSA-N 2 0 285.407 1.221 10 0 CDAERP Cc1ccc(C[NH2+][C@H](C)CN(C)C(=O)CC[NH+](C)C)cc1 ZINC001379233665 975723090 /nfs/dbraw/zinc/72/30/90/975723090.db2.gz ZNVALPVLFGLBKM-OAHLLOKOSA-N 2 0 291.439 1.883 10 0 CDAERP CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CCC(C)C)[NH+](C)C ZINC001379256697 975734794 /nfs/dbraw/zinc/73/47/94/975734794.db2.gz UUVDNLGLKAWAQU-ZIAGYGMSSA-N 2 0 271.449 1.809 10 0 CDAERP C[C@@H](O)CCC[NH+]1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001398187323 975876665 /nfs/dbraw/zinc/87/66/65/975876665.db2.gz DRYKRJYYEUPJFJ-CQSZACIVSA-N 2 0 299.459 1.022 10 0 CDAERP CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001389598979 975924364 /nfs/dbraw/zinc/92/43/64/975924364.db2.gz AQDRSBRLBRWQLA-GJZGRUSLSA-N 2 0 281.444 1.754 10 0 CDAERP C[C@@H](C[N@H+](C)CC1CCCC1)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001401807408 975928709 /nfs/dbraw/zinc/92/87/09/975928709.db2.gz UMHJBCBREGZTGD-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)CC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001405995472 975954992 /nfs/dbraw/zinc/95/49/92/975954992.db2.gz MTROPNRLXSJJEF-HUUCEWRRSA-N 2 0 283.460 1.811 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001389878854 976029605 /nfs/dbraw/zinc/02/96/05/976029605.db2.gz BDSMTIYNQLCBFN-LXTVHRRPSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001398664504 976096648 /nfs/dbraw/zinc/09/66/48/976096648.db2.gz OOBPWOZJGQFWQL-OKILXGFUSA-N 2 0 293.455 1.755 10 0 CDAERP CCN(CC[NH2+]C(C)C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001406345971 976140905 /nfs/dbraw/zinc/14/09/05/976140905.db2.gz ZMBVKWBUNLJUCR-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCC1CC1 ZINC001398927900 976248150 /nfs/dbraw/zinc/24/81/50/976248150.db2.gz SJLHJOUZMIBXKU-ZFWWWQNUSA-N 2 0 281.444 1.754 10 0 CDAERP CC[C@@H](C(=O)NCC1([NH2+]Cc2ccsc2)CC1)[NH+](C)C ZINC001380159598 976273326 /nfs/dbraw/zinc/27/33/26/976273326.db2.gz FHKSLTCUPWFKJI-ZDUSSCGKSA-N 2 0 295.452 1.827 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001399010092 976284358 /nfs/dbraw/zinc/28/43/58/976284358.db2.gz BOULBLYMEWNYLN-VXGBXAGGSA-N 2 0 273.396 1.171 10 0 CDAERP CC(C)[NH2+]Cc1ccc(CNC(=O)CC[NH+](C)C)c(F)c1 ZINC001380189680 976284586 /nfs/dbraw/zinc/28/45/86/976284586.db2.gz ABQPDPXYBYVCCK-UHFFFAOYSA-N 2 0 295.402 1.892 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H]2C[N@H+](CCF)CC[C@@H]21 ZINC001402597994 976384892 /nfs/dbraw/zinc/38/48/92/976384892.db2.gz ZKIOGABKUHACCU-KGLIPLIRSA-N 2 0 285.407 1.221 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@]1(C)CC[NH+](C[C@H](C)CC)C1 ZINC001380386887 976402752 /nfs/dbraw/zinc/40/27/52/976402752.db2.gz XCDMKGXOMNVPRV-GDBMZVCRSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001402757204 976470289 /nfs/dbraw/zinc/47/02/89/976470289.db2.gz OPWHDTVVMZSWTN-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP CC[C@H](C(=O)N1CCC(C)([NH2+]CC(C)C)CC1)[NH+](C)C ZINC001402770957 976475826 /nfs/dbraw/zinc/47/58/26/976475826.db2.gz NJXVQUQBBXHXGT-CQSZACIVSA-N 2 0 283.460 1.953 10 0 CDAERP CC[NH2+]C1(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001406935972 976484244 /nfs/dbraw/zinc/48/42/44/976484244.db2.gz DWWRUFODEGKUMR-UHFFFAOYSA-N 2 0 281.444 1.898 10 0 CDAERP CCC[N@H+](C)CC(=O)NCC1([NH2+]Cc2ccsc2)CC1 ZINC001406997461 976509010 /nfs/dbraw/zinc/50/90/10/976509010.db2.gz MMQXNWAFXPCLJN-UHFFFAOYSA-N 2 0 295.452 1.828 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CC1CCCC1 ZINC001399478331 976516649 /nfs/dbraw/zinc/51/66/49/976516649.db2.gz CKSNPOYZPWGAKX-MRXNPFEDSA-N 2 0 293.455 1.566 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001380687977 976517978 /nfs/dbraw/zinc/51/79/78/976517978.db2.gz ISKZNOUREMZLEJ-LSDHHAIUSA-N 2 0 293.455 1.422 10 0 CDAERP CC(C)CC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H](C)C1 ZINC001407095919 976552767 /nfs/dbraw/zinc/55/27/67/976552767.db2.gz RSSNQMPJOPUKQR-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001402899886 976569965 /nfs/dbraw/zinc/56/99/65/976569965.db2.gz DFTQGHIMAVUEDR-GJZGRUSLSA-N 2 0 281.444 1.659 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1oc(C)nc1C)[NH+](C)C ZINC001402923847 976592448 /nfs/dbraw/zinc/59/24/48/976592448.db2.gz SEAJUHKQSRDCFU-GXFFZTMASA-N 2 0 296.415 1.226 10 0 CDAERP CC(C)[NH+](C)CC(=O)N[C@@]1(C)CC[N@@H+](CC[C@@H](C)F)C1 ZINC001407218746 976607146 /nfs/dbraw/zinc/60/71/46/976607146.db2.gz WTJZVBDAHOXUMS-HIFRSBDPSA-N 2 0 287.423 1.655 10 0 CDAERP CCC[NH+]1CCC(C)(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001407273051 976621766 /nfs/dbraw/zinc/62/17/66/976621766.db2.gz IKUHRYURLTZZNH-UHFFFAOYSA-N 2 0 293.455 1.711 10 0 CDAERP CC(C)[NH+]1CCC(C)(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001407269385 976621781 /nfs/dbraw/zinc/62/17/81/976621781.db2.gz JKBDRQFYWZEPOF-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@@H](CCNC(=O)CC[NH+](C)C)[NH2+]Cc1cscn1 ZINC001381210540 976719628 /nfs/dbraw/zinc/71/96/28/976719628.db2.gz HIJPMFMZRGYNEL-NSHDSACASA-N 2 0 284.429 1.079 10 0 CDAERP Cc1nc(C)c(C[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C(C)C)o1 ZINC001403156828 976769980 /nfs/dbraw/zinc/76/99/80/976769980.db2.gz FHAFZCSVYVRRDF-NSHDSACASA-N 2 0 296.415 1.226 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NC2(C[NH2+]CC3CC3)CCCCC2)C1 ZINC001403270836 976843684 /nfs/dbraw/zinc/84/36/84/976843684.db2.gz VALPFXYYPRNSEC-HNNXBMFYSA-N 2 0 293.455 1.757 10 0 CDAERP CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](C[C@@H](C)OC)C1 ZINC001400132698 976878390 /nfs/dbraw/zinc/87/83/90/976878390.db2.gz DENOQKZCXXPFOA-CABCVRRESA-N 2 0 299.459 1.286 10 0 CDAERP CC[C@H](F)CN1CC([C@@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001403323735 976881332 /nfs/dbraw/zinc/88/13/32/976881332.db2.gz YHVACFPUQRMINR-OCCSQVGLSA-N 2 0 287.423 1.513 10 0 CDAERP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[N@H+](C)CCCF ZINC001381558605 976911745 /nfs/dbraw/zinc/91/17/45/976911745.db2.gz MCEWJHDBHYYHHK-ZDUSSCGKSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@@H](CCNC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(F)cc1 ZINC001408214297 976967151 /nfs/dbraw/zinc/96/71/51/976967151.db2.gz ABJOWVREMYPUOP-ZDUSSCGKSA-N 2 0 295.402 1.762 10 0 CDAERP C[C@@H](F)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C[NH+](C)C)CC1 ZINC001400582487 977101186 /nfs/dbraw/zinc/10/11/86/977101186.db2.gz PIFHIMRUYNRXDK-RDBSUJKOSA-N 2 0 297.418 1.361 10 0 CDAERP CN(C(=O)CC[NH+](C)C)[C@@H]1CCN(Cc2ccns2)C1 ZINC001400708546 977148858 /nfs/dbraw/zinc/14/88/58/977148858.db2.gz OBDRKDFJPVBGKL-GFCCVEGCSA-N 2 0 296.440 1.128 10 0 CDAERP CCC(CC)C[N@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001392324790 977410304 /nfs/dbraw/zinc/41/03/04/977410304.db2.gz AJSWLNPOUAZKHI-UHFFFAOYSA-N 2 0 283.460 1.909 10 0 CDAERP Cc1cc(F)ccc1C[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001392505441 977465065 /nfs/dbraw/zinc/46/50/65/977465065.db2.gz NNHNCGUVYQVKTO-CYBMUJFWSA-N 2 0 295.402 1.680 10 0 CDAERP Cc1cc(CN(C)C[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)on1 ZINC001392637918 977520379 /nfs/dbraw/zinc/52/03/79/977520379.db2.gz JYYXGVVNGPWOQW-JSGCOSHPSA-N 2 0 294.399 1.014 10 0 CDAERP C[C@H](F)CC[N@H+](C)C[C@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001392662304 977534333 /nfs/dbraw/zinc/53/43/33/977534333.db2.gz SYVKZXPTSPZCSH-STQMWFEESA-N 2 0 287.423 1.655 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@](C)(C[NH2+]CC3CC3)C2)C1 ZINC001393171366 977723300 /nfs/dbraw/zinc/72/33/00/977723300.db2.gz VFAPPRQQZGOHHS-GDBMZVCRSA-N 2 0 279.428 1.176 10 0 CDAERP CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](F)C[NH+](CC)CC ZINC001393858792 977933574 /nfs/dbraw/zinc/93/35/74/977933574.db2.gz VRVJKOUGBXDRAA-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001393876825 977944464 /nfs/dbraw/zinc/94/44/64/977944464.db2.gz YCWUJJWPJURLRX-GJZGRUSLSA-N 2 0 281.444 1.804 10 0 CDAERP CC(C)C[N@H+](C)[C@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001394071303 978048062 /nfs/dbraw/zinc/04/80/62/978048062.db2.gz AHRSJFMESCDESN-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@@H](F)C[N@H+](C)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001394124829 978077185 /nfs/dbraw/zinc/07/71/85/978077185.db2.gz PGWYVMKHRUGOGJ-CHWSQXEVSA-N 2 0 285.407 1.267 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1[NH+](CCF)CC2 ZINC001394681795 978230465 /nfs/dbraw/zinc/23/04/65/978230465.db2.gz DJEOZXKWXQTILM-ZBFHGGJFSA-N 2 0 299.434 1.801 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC3CC3)[C@H]2C1 ZINC001394688652 978230902 /nfs/dbraw/zinc/23/09/02/978230902.db2.gz MRVGVCNUNKWBMM-JYJNAYRXSA-N 2 0 293.455 1.565 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC2CC(C[NH2+]CCF)C2)C1 ZINC001674573658 1173964385 /nfs/dbraw/zinc/96/43/85/1173964385.db2.gz GCFCDVXXXFSCOZ-SHARSMKWSA-N 2 0 299.434 1.562 10 0 CDAERP CC[C@@H](C(=O)N(C)C1CCC([NH2+]CCCO)CC1)[NH+](C)C ZINC001674808536 1174012209 /nfs/dbraw/zinc/01/22/09/1174012209.db2.gz HWYSIMCPSOIMJJ-NRXISQOPSA-N 2 0 299.459 1.068 10 0 CDAERP CCCCC[NH+]1CC([C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001675359681 1174107299 /nfs/dbraw/zinc/10/72/99/1174107299.db2.gz KEJPDCSDFUEEDE-HUUCEWRRSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](CN(C)C(=O)C[NH+]1CCC(C)CC1)[NH2+]CCCF ZINC001676447575 1174226831 /nfs/dbraw/zinc/22/68/31/1174226831.db2.gz KUSCNRFUDCOPKZ-CQSZACIVSA-N 2 0 287.423 1.514 10 0 CDAERP C[NH+]1CCC(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000091359412 1174268136 /nfs/dbraw/zinc/26/81/36/1174268136.db2.gz DYZVRZNWRXJNQI-SNPRPXQTSA-N 2 0 279.428 1.508 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000091361332 1174270211 /nfs/dbraw/zinc/27/02/11/1174270211.db2.gz BYOPHCFSWYOHHB-ILXRZTDVSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C[NH2+]CCCF)C(C)(C)C)[NH+](C)C ZINC001677296867 1174347021 /nfs/dbraw/zinc/34/70/21/1174347021.db2.gz DTNRSXJOEPMGHC-STQMWFEESA-N 2 0 289.439 1.807 10 0 CDAERP CCC[N@H+](C)[C@@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001570715481 1170249522 /nfs/dbraw/zinc/24/95/22/1170249522.db2.gz DUFHEMQHYMUIIW-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)C[NH2+]CCC[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001571257077 1170356091 /nfs/dbraw/zinc/35/60/91/1170356091.db2.gz JCCXHRYACGSSGB-HOCLYGCPSA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001571393229 1170407108 /nfs/dbraw/zinc/40/71/08/1170407108.db2.gz LGNUDKTTXOXSHG-HUUCEWRRSA-N 2 0 281.444 1.873 10 0 CDAERP CC(C)COCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001571485673 1170450311 /nfs/dbraw/zinc/45/03/11/1170450311.db2.gz UQOHIABAMCYVEL-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP CCOCC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1C ZINC001656961083 1171907969 /nfs/dbraw/zinc/90/79/69/1171907969.db2.gz UQPGSSACTMUYLG-KGLIPLIRSA-N 2 0 297.443 1.086 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000589213256 342500573 /nfs/dbraw/zinc/50/05/73/342500573.db2.gz QNZUMYMDCPVUCR-QWHCGFSZSA-N 2 0 270.421 1.110 10 0 CDAERP C[C@H]1CCC[N@H+](CCNC(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC000618555326 349481763 /nfs/dbraw/zinc/48/17/63/349481763.db2.gz UBBTWJQVSGZSLP-KBPBESRZSA-N 2 0 282.432 1.112 10 0 CDAERP CS(=O)(=O)CC1CCC([NH2+]CCC2(C[NH3+])CC2)CC1 ZINC000650748201 398175185 /nfs/dbraw/zinc/17/51/85/398175185.db2.gz PSGSMMUSZFZOER-UHFFFAOYSA-N 2 0 288.457 1.308 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000650724251 398162335 /nfs/dbraw/zinc/16/23/35/398162335.db2.gz AWZYZORMFKBOTR-CQSZACIVSA-N 2 0 284.448 1.358 10 0 CDAERP [NH3+]CCN1CC[NH2+]C[C@H]1c1nccc2ccccc21 ZINC000616603148 361816367 /nfs/dbraw/zinc/81/63/67/361816367.db2.gz FITZSWCMCPJFEC-AWEZNQCLSA-N 2 0 256.353 1.140 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COCc2ccco2)CC[N@@H+]1C ZINC000158248530 342072501 /nfs/dbraw/zinc/07/25/01/342072501.db2.gz HMEZYVQZSHXNCW-RDBSUJKOSA-N 2 0 282.384 1.229 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)C1([NH+](C)C)CC1 ZINC000616512251 342112957 /nfs/dbraw/zinc/11/29/57/342112957.db2.gz WFAKNJUQAQETAG-UHFFFAOYSA-N 2 0 255.406 1.175 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000650918553 398266007 /nfs/dbraw/zinc/26/60/07/398266007.db2.gz GUNIQQALHGEVDB-GJZGRUSLSA-N 2 0 298.475 1.746 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000650918555 398266107 /nfs/dbraw/zinc/26/61/07/398266107.db2.gz GUNIQQALHGEVDB-LSDHHAIUSA-N 2 0 298.475 1.746 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)C1CC[NH+](C2CC2)CC1 ZINC000425981703 282133527 /nfs/dbraw/zinc/13/35/27/282133527.db2.gz SKHSTEADBUVISK-OAHLLOKOSA-N 2 0 279.428 1.413 10 0 CDAERP CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000591571898 342637328 /nfs/dbraw/zinc/63/73/28/342637328.db2.gz XYJXMLNFWMGCGX-ZIAGYGMSSA-N 2 0 282.432 1.112 10 0 CDAERP [NH3+]C[C@H]1C[NH2+]C[C@@H]1c1ccccc1Br ZINC000096884143 185120155 /nfs/dbraw/zinc/12/01/55/185120155.db2.gz ZRSIULKZJVGMDI-WPRPVWTQSA-N 2 0 255.159 1.711 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000351670702 361854035 /nfs/dbraw/zinc/85/40/35/361854035.db2.gz JEPHGALRRDBLGH-XHSDSOJGSA-N 2 0 293.455 1.994 10 0 CDAERP CCO[C@@H](C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1)C1CC1 ZINC000625446818 342167286 /nfs/dbraw/zinc/16/72/86/342167286.db2.gz UCJVEKUBSCMXEK-GJZGRUSLSA-N 2 0 252.402 1.829 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1ccc(C(=O)NC2CC2)cc1 ZINC000629399154 361931014 /nfs/dbraw/zinc/93/10/14/361931014.db2.gz NAHYMPBOMBCDFW-UHFFFAOYSA-N 2 0 291.395 1.034 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1cnc([C@H]2CCCO2)s1 ZINC000629400512 361937997 /nfs/dbraw/zinc/93/79/97/361937997.db2.gz ZUPQEVKPJBIIFQ-GFCCVEGCSA-N 2 0 285.413 1.450 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000629416658 361975774 /nfs/dbraw/zinc/97/57/74/361975774.db2.gz TUFJJXRYESIMCV-SWLSCSKDSA-N 2 0 285.395 1.806 10 0 CDAERP C[C@@H]([NH2+]CCC[NH2+][C@@H](C)[C@H]1CCCO1)[C@H]1CCCO1 ZINC000248582304 539065514 /nfs/dbraw/zinc/06/55/14/539065514.db2.gz ITRKZESBLAMDRA-LXTVHRRPSA-N 2 0 270.417 1.691 10 0 CDAERP CCOC(=O)CCCCC[N@@H+]1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000600882479 342254203 /nfs/dbraw/zinc/25/42/03/342254203.db2.gz DLSQQQMXIXGTIW-ZFWWWQNUSA-N 2 0 286.416 1.548 10 0 CDAERP C[NH+](C)C1(CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)CCCC1 ZINC000125651116 187194217 /nfs/dbraw/zinc/19/42/17/187194217.db2.gz SSAWPDZPRZGPSM-STQMWFEESA-N 2 0 267.417 1.495 10 0 CDAERP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000619363927 349680004 /nfs/dbraw/zinc/68/00/04/349680004.db2.gz CHBSTVQCMLNLRJ-RBSFLKMASA-N 2 0 296.459 1.500 10 0 CDAERP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000594935008 342976363 /nfs/dbraw/zinc/97/63/63/342976363.db2.gz MFRKYVSUPCYRJR-KGYLQXTDSA-N 2 0 252.358 1.036 10 0 CDAERP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000594922975 342987899 /nfs/dbraw/zinc/98/78/99/342987899.db2.gz COPRZLPABIXHKQ-TUKIKUTGSA-N 2 0 280.412 1.648 10 0 CDAERP COCCC[NH+]1CCC([NH2+][C@H](C)[C@H]2C[C@@H]2C(=O)OC)CC1 ZINC000594924596 342988991 /nfs/dbraw/zinc/98/89/91/342988991.db2.gz JOSOJJPFTFRINY-YUELXQCFSA-N 2 0 298.427 1.275 10 0 CDAERP CC[N@H+](C)C[C@@H](O)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000312544571 362072666 /nfs/dbraw/zinc/07/26/66/362072666.db2.gz LKANYEUGUWSWGO-MRXNPFEDSA-N 2 0 283.460 1.107 10 0 CDAERP CCSCC[C@H](C)[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000595884950 343180103 /nfs/dbraw/zinc/18/01/03/343180103.db2.gz JQQSSMLZHOEHMH-QWHCGFSZSA-N 2 0 272.458 1.971 10 0 CDAERP CC[C@@H](C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)[NH+](C)C ZINC000126530770 187245707 /nfs/dbraw/zinc/24/57/07/187245707.db2.gz FAJPVQPBBGIPHY-HNNXBMFYSA-N 2 0 295.402 1.844 10 0 CDAERP C[C@@H]([NH3+])C1CC[NH+](CCOC2CCOCC2)CC1 ZINC000629513806 362127994 /nfs/dbraw/zinc/12/79/94/362127994.db2.gz WWJPUZPAGSZRQR-GFCCVEGCSA-N 2 0 256.390 1.241 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)CC[C@H]2CCCC[NH+]2C)C1 ZINC000351899623 362148029 /nfs/dbraw/zinc/14/80/29/362148029.db2.gz SXPDYOLXANECOA-HUUCEWRRSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)Cc1ccccc1 ZINC000273170239 192063983 /nfs/dbraw/zinc/06/39/83/192063983.db2.gz DVHSPDVJRSXQCA-DOTOQJQBSA-N 2 0 276.424 1.912 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000262258255 344697149 /nfs/dbraw/zinc/69/71/49/344697149.db2.gz FTPGDSPPJWVQOZ-CBBWQLFWSA-N 2 0 281.444 1.741 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CC2(CO)CCOCC2)CC1(C)C ZINC000623469632 347078939 /nfs/dbraw/zinc/07/89/39/347078939.db2.gz JMIYHXARSPQDMQ-CYBMUJFWSA-N 2 0 270.417 1.238 10 0 CDAERP CCOC[C@@]1(C(F)(F)F)CC[N@H+](CCC[NH3+])C1 ZINC000409436191 345054037 /nfs/dbraw/zinc/05/40/37/345054037.db2.gz YNQYVDQNQLRWEK-SNVBAGLBSA-N 2 0 254.296 1.626 10 0 CDAERP c1cnc(N[C@H]2CC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)nc1 ZINC000571443370 362528284 /nfs/dbraw/zinc/52/82/84/362528284.db2.gz AZMBPUDZMOFDBD-KBPBESRZSA-N 2 0 275.400 1.353 10 0 CDAERP C[N@H+](CCCNC(=O)[C@@]1(C)CCC[NH2+]1)Cc1ccccc1 ZINC000079510520 345301785 /nfs/dbraw/zinc/30/17/85/345301785.db2.gz TVZIQFDPCKZGKY-QGZVFWFLSA-N 2 0 289.423 1.767 10 0 CDAERP C[NH+](C)CCOc1ccc(NC(=O)[C@]2(C)CCC[NH2+]2)cc1 ZINC000079516074 362659419 /nfs/dbraw/zinc/65/94/19/362659419.db2.gz JJTQCXFTVPHICO-INIZCTEOSA-N 2 0 291.395 1.708 10 0 CDAERP CN1CC[NH+](CCCC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623357090 346085433 /nfs/dbraw/zinc/08/54/33/346085433.db2.gz ZPVMNUGDBMTDGU-INIZCTEOSA-N 3 0 296.503 1.476 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCC(=O)N2CCCCC2)CC1(C)C ZINC000623362275 346090271 /nfs/dbraw/zinc/09/02/71/346090271.db2.gz NEXQCUYAAPNXPP-AWEZNQCLSA-N 2 0 281.444 1.851 10 0 CDAERP CC[C@@H](C)NC(=O)CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623362707 346090966 /nfs/dbraw/zinc/09/09/66/346090966.db2.gz GQYVHFMGMWCREO-OLZOCXBDSA-N 2 0 269.433 1.754 10 0 CDAERP C[C@@H](C[C@](C)(O)C[NH3+])[N@H+](C)CCc1ccccn1 ZINC000085304010 179011381 /nfs/dbraw/zinc/01/13/81/179011381.db2.gz UVTSQADDQAYYTF-JSGCOSHPSA-N 2 0 251.374 1.044 10 0 CDAERP COCC[N@H+]([C@H](C)C[C@@](C)(O)C[NH3+])[C@@H](C)C1CC1 ZINC000085301170 179010220 /nfs/dbraw/zinc/01/02/20/179010220.db2.gz DLJMFSNWHWQSFD-MBNYWOFBSA-N 2 0 258.406 1.222 10 0 CDAERP CC(C)[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000085369451 179039404 /nfs/dbraw/zinc/03/94/04/179039404.db2.gz WWKPMAGVILNJEO-GJZGRUSLSA-N 2 0 281.444 1.693 10 0 CDAERP [NH3+][C@H]1CCC[C@H]1C(=O)NCC[NH+]1CCCCCC1 ZINC000085370668 179040518 /nfs/dbraw/zinc/04/05/18/179040518.db2.gz HAMDSKLQRLVRRX-OLZOCXBDSA-N 2 0 253.390 1.106 10 0 CDAERP COC(=O)CC1([NH2+]CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000584784173 346433279 /nfs/dbraw/zinc/43/32/79/346433279.db2.gz MVFVGBDLKWSTLD-UHFFFAOYSA-N 2 0 297.443 1.088 10 0 CDAERP CCCc1nc2c(n1C1CC[NH+](C)CC1)CC[NH2+]C2 ZINC000085569828 179096024 /nfs/dbraw/zinc/09/60/24/179096024.db2.gz MUMGTCILPOQHPD-UHFFFAOYSA-N 2 0 262.401 1.748 10 0 CDAERP CCc1nc2c(n1C[C@@H]1CC[N@@H+](C(C)C)C1)CC[NH2+]C2 ZINC000085572494 179097299 /nfs/dbraw/zinc/09/72/99/179097299.db2.gz YTFJQUYWZBADKR-CYBMUJFWSA-N 2 0 276.428 1.822 10 0 CDAERP Cc1nc2c(n1C[C@@H](C)[NH+]1CCCCC1)CC[NH2+]C2 ZINC000085573447 179098434 /nfs/dbraw/zinc/09/84/34/179098434.db2.gz GDAVBVSKLLTVLV-GFCCVEGCSA-N 2 0 262.401 1.712 10 0 CDAERP C[C@@H](CC[NH+](C)C)n1c2c(nc1C1CC1)C[NH2+]CC2 ZINC000085573471 179098712 /nfs/dbraw/zinc/09/87/12/179098712.db2.gz XRVVPVWQYBJTQI-NSHDSACASA-N 2 0 262.401 1.919 10 0 CDAERP c1csc(CC[NH2+]CC[C@H]2CSCC[NH2+]2)n1 ZINC000085616335 179103889 /nfs/dbraw/zinc/10/38/89/179103889.db2.gz RKLGFSDMKMYTPZ-JTQLQIEISA-N 2 0 257.428 1.370 10 0 CDAERP O[C@H]1C[NH2+]C[C@H]1C[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000263307452 362763724 /nfs/dbraw/zinc/76/37/24/362763724.db2.gz YAZRFGHGGRCKHG-PMUOWJKOSA-N 2 0 266.307 1.277 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000227696218 346530573 /nfs/dbraw/zinc/53/05/73/346530573.db2.gz MBRVWVQUIAQUBP-GXTWGEPZSA-N 2 0 253.390 1.119 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000230711670 346555339 /nfs/dbraw/zinc/55/53/39/346555339.db2.gz HVDZXVSWYSZSFN-CYBMUJFWSA-N 2 0 255.406 1.176 10 0 CDAERP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(-c2cnn(C)c2)no1 ZINC000566244259 370657312 /nfs/dbraw/zinc/65/73/12/370657312.db2.gz HACUSSVLYVSSMU-MNOVXSKESA-N 2 0 275.356 1.244 10 0 CDAERP Cc1n[nH]c(CC[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)n1 ZINC000623480717 347422217 /nfs/dbraw/zinc/42/22/17/347422217.db2.gz FHEMRGYGJAHXOB-NSHDSACASA-N 2 0 251.378 1.118 10 0 CDAERP CC[C@@](C[NH3+])(C1CC1)N1CC[NH+](CC(C)C)CC1 ZINC000086120670 179235149 /nfs/dbraw/zinc/23/51/49/179235149.db2.gz SSYXEDLIWGHHRR-OAHLLOKOSA-N 2 0 253.434 1.778 10 0 CDAERP CC(C)C[C@@H]1CN(C[C@@H]2CCC[N@H+](C)C2)CC[NH2+]1 ZINC000086145789 179238626 /nfs/dbraw/zinc/23/86/26/179238626.db2.gz VGYCXZPLPDVDSH-HUUCEWRRSA-N 2 0 253.434 1.648 10 0 CDAERP CC(C)[C@@H]1CN(C[C@@H]2CCC[N@H+](C)C2)[C@@H](C)C[NH2+]1 ZINC000086173724 179245109 /nfs/dbraw/zinc/24/51/09/179245109.db2.gz VUPHFOIQIFLDET-ZNMIVQPWSA-N 2 0 253.434 1.647 10 0 CDAERP C[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1C)[NH+]1CCC[C@H](C)C1 ZINC000623601557 347653398 /nfs/dbraw/zinc/65/33/98/347653398.db2.gz IAANYKGHIXHOFD-ZNMIVQPWSA-N 2 0 296.459 1.500 10 0 CDAERP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000423360896 302589638 /nfs/dbraw/zinc/58/96/38/302589638.db2.gz LVFPGBKBAYKDFZ-WBIUFABUSA-N 2 0 262.401 1.497 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000629536751 362950667 /nfs/dbraw/zinc/95/06/67/362950667.db2.gz HDBTYCRFVNVBPL-OAHLLOKOSA-N 2 0 263.385 1.878 10 0 CDAERP COc1ncc([C@H](C)[NH2+]CCOCCC[NH3+])cc1Cl ZINC000629536828 362950981 /nfs/dbraw/zinc/95/09/81/362950981.db2.gz HNHCUGRBDWKWOX-JTQLQIEISA-N 2 0 287.791 1.760 10 0 CDAERP CCC1(CC)[C@H]([NH2+]CCOCCC[NH3+])C[C@@H]1OC ZINC000629539543 362958241 /nfs/dbraw/zinc/95/82/41/362958241.db2.gz PZPLMQKRXLYUCL-OLZOCXBDSA-N 2 0 258.406 1.535 10 0 CDAERP C[C@H]([NH2+]CCOCCC[NH3+])c1ccc2c(c1)OCC(=O)N2 ZINC000629540677 362964274 /nfs/dbraw/zinc/96/42/74/362964274.db2.gz WJTSWAUZLROCIA-NSHDSACASA-N 2 0 293.367 1.034 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000629543493 362962212 /nfs/dbraw/zinc/96/22/12/362962212.db2.gz AHPLZKNLMUPBIT-BTFPBAQTSA-N 2 0 252.402 1.922 10 0 CDAERP CC(C)n1cc([C@H](C)[NH2+]CCOCCC[NH3+])cn1 ZINC000629541945 362966665 /nfs/dbraw/zinc/96/66/65/362966665.db2.gz UUUJXOJBJRAPII-LBPRGKRZSA-N 2 0 254.378 1.480 10 0 CDAERP [NH3+][C@]12CCC[C@@H]1CN(C(=O)[C@@H]1C[C@@H]3CCCC[C@H]3[NH2+]1)C2 ZINC000621683750 350715979 /nfs/dbraw/zinc/71/59/79/350715979.db2.gz APRJXHHXGXGJIF-ADVQIIOHSA-N 2 0 277.412 1.247 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000333783555 363150179 /nfs/dbraw/zinc/15/01/79/363150179.db2.gz LHMPZEORLODVOC-YUELXQCFSA-N 2 0 294.443 1.301 10 0 CDAERP Cc1cc(N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)nc(C2CC2)n1 ZINC000333931025 363233161 /nfs/dbraw/zinc/23/31/61/363233161.db2.gz ZPZCAOVINWHDLR-AVGNSLFASA-N 2 0 258.369 1.836 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1c[nH]nc1-c1cccnc1 ZINC000629652105 363250578 /nfs/dbraw/zinc/25/05/78/363250578.db2.gz AAVRDFUOJIDNSN-UHFFFAOYSA-N 2 0 289.383 1.140 10 0 CDAERP C1=C(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)COCC1 ZINC000629649562 363248864 /nfs/dbraw/zinc/24/88/64/363248864.db2.gz WCWGXNRJHFNFKA-HUUCEWRRSA-N 2 0 250.386 1.797 10 0 CDAERP Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]CC1CC[NH2+]CC1 ZINC000569971530 363256996 /nfs/dbraw/zinc/25/69/96/363256996.db2.gz FMYMWHYQHGZFTR-LLVKDONJSA-N 2 0 264.417 1.557 10 0 CDAERP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1ccc(F)cc1 ZINC000644524056 366142572 /nfs/dbraw/zinc/14/25/72/366142572.db2.gz OMQDWVSYGBVHST-ULQDDVLXSA-N 2 0 292.398 1.946 10 0 CDAERP CC(C[NH+](C)C[C@@H]1CCCO1)C[N@H+](C)C[C@@H]1CCCO1 ZINC000114208798 366164373 /nfs/dbraw/zinc/16/43/73/366164373.db2.gz RUQUFIRTWSMKSZ-HOTGVXAUSA-N 2 0 284.444 1.844 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCC[C@@H]2O)[C@@H]2CCC[C@@H]21 ZINC000453378724 283138319 /nfs/dbraw/zinc/13/83/19/283138319.db2.gz ZOFXPPNEEUBPAX-YXMSTPNBSA-N 2 0 266.429 2.000 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](CO)C2)[C@H]2CCC[C@H]21 ZINC000414349950 283140783 /nfs/dbraw/zinc/14/07/83/283140783.db2.gz YOXPQHRXCZOBOF-CQJMVSDSSA-N 2 0 266.429 2.000 10 0 CDAERP CCOc1ccc(C[NH2+]CCC[NH2+]CCO)cc1Cl ZINC000013733301 356355323 /nfs/dbraw/zinc/35/53/23/356355323.db2.gz OADXTCMXPCJPIH-UHFFFAOYSA-N 2 0 286.803 1.800 10 0 CDAERP C[C@H]1CN(Cc2ccc3c(c2)C[NH2+]CC3)C[C@@H]1[NH+](C)C ZINC000211974263 356581854 /nfs/dbraw/zinc/58/18/54/356581854.db2.gz OOTHDQHWDMENOY-GUYCJALGSA-N 2 0 273.424 1.714 10 0 CDAERP CCCN1CC[NH+]([C@H](C)CCC[NH2+]C2CC2)CC1 ZINC000052421976 357271847 /nfs/dbraw/zinc/27/18/47/357271847.db2.gz BEIYSQXZKXNNHT-CQSZACIVSA-N 2 0 253.434 1.935 10 0 CDAERP C[C@H](C[NH2+]C[C@@H](O)C[C@@](C)(O)C1CC1)C[NH+]1CCCC1 ZINC000634700912 357372073 /nfs/dbraw/zinc/37/20/73/357372073.db2.gz HFOUOKIIFFEREQ-VNQPRFMTSA-N 2 0 284.444 1.220 10 0 CDAERP COC(=O)[C@@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)C[C@@H]1C ZINC000261999269 357351616 /nfs/dbraw/zinc/35/16/16/357351616.db2.gz LCZJAKXCLNJRFT-OUCADQQQSA-N 2 0 254.374 1.117 10 0 CDAERP CC(C)(C[NH2+]C[C@H](O)C[C@@](C)(O)C1CC1)C[NH+]1CCCC1 ZINC000634712676 357411843 /nfs/dbraw/zinc/41/18/43/357411843.db2.gz KDLTWRGVKBDASB-NVXWUHKLSA-N 2 0 298.471 1.610 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)C1 ZINC000130305930 358307217 /nfs/dbraw/zinc/30/72/17/358307217.db2.gz QVOYYYMSJUBDEI-BPUTZDHNSA-N 2 0 289.423 1.923 10 0 CDAERP CCC[NH2+][C@H](C)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634761803 358430912 /nfs/dbraw/zinc/43/09/12/358430912.db2.gz JPQOGIPMFUFMSC-NEPJUHHUSA-N 2 0 255.406 1.269 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054291600 358710703 /nfs/dbraw/zinc/71/07/03/358710703.db2.gz HDXOVIASVNEFPA-UONOGXRCSA-N 2 0 267.417 1.367 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000166043259 358997821 /nfs/dbraw/zinc/99/78/21/358997821.db2.gz VLHGZJIMVMZUSC-BARDWOONSA-N 2 0 295.471 1.987 10 0 CDAERP C[N@H+](CC1CC1)C[C@@H]1CCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000261948501 359099999 /nfs/dbraw/zinc/09/99/99/359099999.db2.gz FSTOQLISCUJATK-JKSUJKDBSA-N 3 0 265.445 1.650 10 0 CDAERP C[C@]1(C[N@@H+]2CCC[C@@H]2C2CCOCC2)CC[NH2+]C1 ZINC000261980337 359113130 /nfs/dbraw/zinc/11/31/30/359113130.db2.gz JCRXSJNESCHKRO-CABCVRRESA-N 2 0 252.402 1.877 10 0 CDAERP [NH3+]Cc1ccc(-c2noc(C[NH2+]CC3CC3)n2)cc1 ZINC000261981782 359113149 /nfs/dbraw/zinc/11/31/49/359113149.db2.gz JGFXCRZAILXCGF-UHFFFAOYSA-N 2 0 258.325 1.695 10 0 CDAERP CCC[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CC)C1)[NH+](C)C ZINC000162349653 359144411 /nfs/dbraw/zinc/14/44/11/359144411.db2.gz UDGSSMTWIGODMN-KBPBESRZSA-N 2 0 269.433 1.517 10 0 CDAERP [NH3+][C@H]1CC[C@@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000262306163 359153542 /nfs/dbraw/zinc/15/35/42/359153542.db2.gz YHOIAALJRNFBEC-CBBWQLFWSA-N 2 0 273.380 1.067 10 0 CDAERP Cn1ncc2c1CCC[C@H]2[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000368102975 359238330 /nfs/dbraw/zinc/23/83/30/359238330.db2.gz RDQLZSIZYMAYMJ-ZYHUDNBSSA-N 2 0 271.368 1.668 10 0 CDAERP C[NH+](C)CCCC1CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC000347559599 359437356 /nfs/dbraw/zinc/43/73/56/359437356.db2.gz ACTWINBLSSQLAF-AWEZNQCLSA-N 2 0 267.417 1.319 10 0 CDAERP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCNC(=O)c1ccccc1 ZINC000422914958 359672290 /nfs/dbraw/zinc/67/22/90/359672290.db2.gz WVBQSSFGTTZWNV-CABCVRRESA-N 2 0 275.396 1.666 10 0 CDAERP C[NH+](C)CCN(C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC000365633580 359672973 /nfs/dbraw/zinc/67/29/73/359672973.db2.gz IKIBLIJVBFMGFL-INIZCTEOSA-N 2 0 299.434 1.752 10 0 CDAERP Cc1cc(C[C@H](C)[NH2+][C@H]2CCCC[C@@H]2C[NH3+])[nH]n1 ZINC000422993403 359704763 /nfs/dbraw/zinc/70/47/63/359704763.db2.gz STRTZGLCYDGANC-SUHUHFCYSA-N 2 0 250.390 1.756 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)C[C@](C)(O)C(F)(F)F ZINC000310552693 359761385 /nfs/dbraw/zinc/76/13/85/359761385.db2.gz XAKLXGRTIWEJTI-ZJUUUORDSA-N 2 0 254.296 1.183 10 0 CDAERP CC(C)[NH+]1CCC([NH2+]C[C@H]2CCN(C)C(=O)C2)CC1 ZINC000424314427 360003479 /nfs/dbraw/zinc/00/34/79/360003479.db2.gz BBMRMEQOCJFCHK-ZDUSSCGKSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@@H]([NH2+][C@@H]1CC[C@H]1O)c1cccc(OCC[NH+](C)C)c1 ZINC000424319938 360006352 /nfs/dbraw/zinc/00/63/52/360006352.db2.gz RCKPMMFMZBTMLL-DAXOMENPSA-N 2 0 278.396 1.801 10 0 CDAERP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000335426785 360165068 /nfs/dbraw/zinc/16/50/68/360165068.db2.gz ANNHEIJQEKRDSQ-HZPDHXFCSA-N 2 0 299.418 1.461 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)NCC[NH+]2CCC2)CC1 ZINC000337672814 360342165 /nfs/dbraw/zinc/34/21/65/360342165.db2.gz YFQRNSXZRVFNPF-UHFFFAOYSA-N 2 0 282.432 1.113 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1O ZINC000248009956 360307553 /nfs/dbraw/zinc/30/75/53/360307553.db2.gz QSGVTRQUQUQDSQ-JKSUJKDBSA-N 2 0 262.397 1.867 10 0 CDAERP C[C@@H](CC(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1)[C@@H]1CCC[NH2+]C1 ZINC000515060394 360430021 /nfs/dbraw/zinc/43/00/21/360430021.db2.gz XJSFGFDMRGCZQS-DSJMHWKBSA-N 2 0 281.444 1.456 10 0 CDAERP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H]2CC[C@H]2C2CCC2)C1 ZINC000337986112 360603357 /nfs/dbraw/zinc/60/33/57/360603357.db2.gz HOKWMNODFIINQN-PMPSAXMXSA-N 2 0 293.455 1.742 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000626933591 360650592 /nfs/dbraw/zinc/65/05/92/360650592.db2.gz MIXNTXFUNLGEBX-ZIAGYGMSSA-N 2 0 284.448 1.356 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000626938813 360666281 /nfs/dbraw/zinc/66/62/81/360666281.db2.gz WWEHTSVNSSCVAI-YIYPIFLZSA-N 2 0 280.416 1.053 10 0 CDAERP C[C@@H](CC[NH+](C)C)NC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000338290235 360816408 /nfs/dbraw/zinc/81/64/08/360816408.db2.gz LZYYITFRLNQGFH-UONOGXRCSA-N 2 0 284.448 1.500 10 0 CDAERP C[N@@H+]1CCC[C@]2(C[NH+]=C(N)N2Cc2ccccc2)C1 ZINC000134374441 360982504 /nfs/dbraw/zinc/98/25/04/360982504.db2.gz PRYDNVSVPHIXLN-HNNXBMFYSA-N 2 0 258.369 1.281 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCC[NH+](C)C2)C1 ZINC000628755059 361016965 /nfs/dbraw/zinc/01/69/65/361016965.db2.gz SVGJAPJFJYHGHU-KBPBESRZSA-N 2 0 267.417 1.176 10 0 CDAERP CC[NH2+]CCCNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000572481430 361268365 /nfs/dbraw/zinc/26/83/65/361268365.db2.gz CFYKQHAHDJQKIY-ZDUSSCGKSA-N 2 0 255.406 1.367 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)[C@@H]2[NH2+]CC2(C)C)CC1 ZINC000644155819 364045441 /nfs/dbraw/zinc/04/54/41/364045441.db2.gz RIQXVOQSWYLBDZ-BPCQOVAHSA-N 2 0 267.417 1.221 10 0 CDAERP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000566483816 370747993 /nfs/dbraw/zinc/74/79/93/370747993.db2.gz YKAAKAOBUIVPDB-BPNCWPANSA-N 2 0 264.417 1.827 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000248897315 364342214 /nfs/dbraw/zinc/34/22/14/364342214.db2.gz XZXYPAJUUORYOY-AGIUHOORSA-N 2 0 255.406 1.350 10 0 CDAERP C[C@@H](CCNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)[NH+]1CCCCC1 ZINC000418013830 364488535 /nfs/dbraw/zinc/48/85/35/364488535.db2.gz ZVMPQGFMDSLXOI-QLFBSQMISA-N 2 0 296.459 1.548 10 0 CDAERP CN(CC(=O)NC1CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352917421 364638692 /nfs/dbraw/zinc/63/86/92/364638692.db2.gz XRJLBEDPORPOGG-XYPWUTKMSA-N 2 0 293.455 1.992 10 0 CDAERP COC[C@@H](C)C[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000187673577 364799371 /nfs/dbraw/zinc/79/93/71/364799371.db2.gz RTEFZBQQJYBWDK-AWEZNQCLSA-N 2 0 292.427 1.206 10 0 CDAERP CCCNC(=O)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353455045 365220077 /nfs/dbraw/zinc/22/00/77/365220077.db2.gz NTRRSZSTQFORSJ-MGPQQGTHSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000516568731 366873090 /nfs/dbraw/zinc/87/30/90/366873090.db2.gz WDOBNUYAJXUHEC-RRFJBIMHSA-N 2 0 296.459 1.772 10 0 CDAERP C[C@@H]([NH3+])CNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000641494757 365494988 /nfs/dbraw/zinc/49/49/88/365494988.db2.gz YYXMRZCNZKJGAQ-UKRRQHHQSA-N 2 0 290.411 1.250 10 0 CDAERP COc1ccc(COCC[NH2+][C@@H]2CN(C)C[C@@H]2C)cc1 ZINC000357341690 366928053 /nfs/dbraw/zinc/92/80/53/366928053.db2.gz CNXQFHLIAKWHPK-XJKSGUPXSA-N 2 0 278.396 1.752 10 0 CDAERP [NH3+]CCC[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000414685256 241321816 /nfs/dbraw/zinc/32/18/16/241321816.db2.gz YPYWXZSIJLPYNI-UHFFFAOYSA-N 2 0 275.396 1.364 10 0 CDAERP Cn1c2ccc(C[NH2+]CC[C@H]3CC[NH2+]C3)cc2sc1=O ZINC000414832670 367090144 /nfs/dbraw/zinc/09/01/44/367090144.db2.gz OOJWMHHLNGSMHD-LLVKDONJSA-N 2 0 291.420 1.689 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000626965344 367100389 /nfs/dbraw/zinc/10/03/89/367100389.db2.gz AAVUCBBXRJHGRK-QWHCGFSZSA-N 2 0 282.432 1.301 10 0 CDAERP CCCn1cc(C[NH2+]CCC[C@H]2CCC[NH2+]2)cn1 ZINC000414960311 241485583 /nfs/dbraw/zinc/48/55/83/241485583.db2.gz ANYUKBXJUQHNCI-AWEZNQCLSA-N 2 0 250.390 1.915 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[NH2+]1 ZINC000626988168 367176199 /nfs/dbraw/zinc/17/61/99/367176199.db2.gz HLEKSAHRFVJASB-WQGXVZNYSA-N 2 0 294.443 1.441 10 0 CDAERP C[C@H]1C[C@H](NC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)C[N@@H+]1C1CC1 ZINC000626997302 367217541 /nfs/dbraw/zinc/21/75/41/367217541.db2.gz QAKLXHYDFUGNCF-VOAKCMCISA-N 2 0 280.416 1.051 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000627021141 367244577 /nfs/dbraw/zinc/24/45/77/367244577.db2.gz QKNIVETXBXJFCW-FPMFFAJLSA-N 2 0 280.416 1.053 10 0 CDAERP COCCN1CC[C@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)C1 ZINC000357845747 367253338 /nfs/dbraw/zinc/25/33/38/367253338.db2.gz GQGSAZVHMDYQRP-HNNXBMFYSA-N 2 0 283.460 1.419 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)C1CCCC1 ZINC000250023515 367466441 /nfs/dbraw/zinc/46/64/41/367466441.db2.gz ZDJHCZHAZHUUGM-BMFZPTHFSA-N 2 0 293.455 1.898 10 0 CDAERP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627116043 367479160 /nfs/dbraw/zinc/47/91/60/367479160.db2.gz FVPSAKPZYNBCTO-MELADBBJSA-N 2 0 282.432 1.156 10 0 CDAERP CC1=CCN(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000358244142 367538600 /nfs/dbraw/zinc/53/86/00/367538600.db2.gz WEUPIUTTWRWRPU-ARFHVFGLSA-N 2 0 265.445 1.957 10 0 CDAERP C[C@H]1C[NH2+]CCN1C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000416434030 242002935 /nfs/dbraw/zinc/00/29/35/242002935.db2.gz SBUKRESIMKEAQR-NWDGAFQWSA-N 2 0 296.440 1.354 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)NCC[NH+]1CC=C(C)CC1 ZINC000358197455 367506579 /nfs/dbraw/zinc/50/65/79/367506579.db2.gz WPMBUSZDIWWAMN-OAHLLOKOSA-N 2 0 296.459 1.668 10 0 CDAERP [NH3+]CCCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000416787639 242133810 /nfs/dbraw/zinc/13/38/10/242133810.db2.gz OTAATKSTDXQZAK-HNNXBMFYSA-N 2 0 290.411 1.472 10 0 CDAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCCC[NH+]1CCCCC1 ZINC000416868015 242197209 /nfs/dbraw/zinc/19/72/09/242197209.db2.gz DRLMPHOCENDIPA-KBPBESRZSA-N 2 0 282.432 1.160 10 0 CDAERP C[C@@H]1CCC[C@](CNC(=O)NCCC[NH3+])([NH+](C)C)C1 ZINC000417217966 242363645 /nfs/dbraw/zinc/36/36/45/242363645.db2.gz RXMZILKIAXXMHM-OCCSQVGLSA-N 2 0 270.421 1.145 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000417069521 242299163 /nfs/dbraw/zinc/29/91/63/242299163.db2.gz OOEOSFRQTCOEPV-NEPJUHHUSA-N 2 0 278.400 1.283 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)NCC2(C)CC[NH+](C)CC2)C[NH2+]1 ZINC000627205146 367700025 /nfs/dbraw/zinc/70/00/25/367700025.db2.gz NCIMGHCCGKJNTD-CHWSQXEVSA-N 2 0 282.432 1.158 10 0 CDAERP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627206068 367702195 /nfs/dbraw/zinc/70/21/95/367702195.db2.gz WKJYBJIDCQVZQN-VNHYZAJKSA-N 2 0 296.459 1.499 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C[NH2+]1 ZINC000627198145 367687946 /nfs/dbraw/zinc/68/79/46/367687946.db2.gz RTRRMKMKYLPFEI-QLFBSQMISA-N 2 0 294.443 1.397 10 0 CDAERP Cc1ccc(CCC[NH+]2CCN(c3nccnn3)CC2)cn1 ZINC000628388971 370887916 /nfs/dbraw/zinc/88/79/16/370887916.db2.gz BLBUHVIEVVIJTL-UHFFFAOYSA-N 2 0 298.394 1.330 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000627244778 367854086 /nfs/dbraw/zinc/85/40/86/367854086.db2.gz HMCPTFVBKHBEBW-DZGCQCFKSA-N 2 0 290.411 1.297 10 0 CDAERP CCCC[C@@H](C[NH3+])NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000418123938 242682168 /nfs/dbraw/zinc/68/21/68/242682168.db2.gz HJIQOENHNNMJND-NFOMZHRRSA-N 2 0 296.459 1.820 10 0 CDAERP CCC[N@H+](C)CC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000360404267 368273189 /nfs/dbraw/zinc/27/31/89/368273189.db2.gz COFMCIPHCMLFND-UHFFFAOYSA-N 2 0 295.402 1.845 10 0 CDAERP C[C@@H]1CCCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000360599953 368383402 /nfs/dbraw/zinc/38/34/02/368383402.db2.gz SSYORMQQKLZDPA-CQSZACIVSA-N 2 0 293.455 1.851 10 0 CDAERP CCC([NH3+])(CC)CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000418441999 243083260 /nfs/dbraw/zinc/08/32/60/243083260.db2.gz SGRLJEOYJXCNNY-STQMWFEESA-N 2 0 284.448 1.628 10 0 CDAERP C[C@@H]1CCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)C[C@H]1C[NH3+] ZINC000418449409 243091605 /nfs/dbraw/zinc/09/16/05/243091605.db2.gz KEFYICWIEYTCBX-BPLDGKMQSA-N 2 0 290.411 1.313 10 0 CDAERP C[C@@H](CNC(=O)C1=CC[C@@H]([NH3+])C1)[N@H+](C)Cc1ccccc1 ZINC000638113534 368461093 /nfs/dbraw/zinc/46/10/93/368461093.db2.gz PALOIKNOTQVJHV-XJKSGUPXSA-N 2 0 287.407 1.671 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC(C)(C)CCC[NH+](C)C ZINC000418568236 243221237 /nfs/dbraw/zinc/22/12/37/243221237.db2.gz HANBSHJNZJACOV-OLZOCXBDSA-N 2 0 284.448 1.404 10 0 CDAERP C[C@@H]([NH2+]CCCN1CCCC1=O)[C@H]1CCCC[NH2+]1 ZINC000422756330 296122512 /nfs/dbraw/zinc/12/25/12/296122512.db2.gz CDTHGXMJOZLKPH-CHWSQXEVSA-N 2 0 253.390 1.119 10 0 CDAERP CC[NH2+][C@H](C)CNC(=O)NC[C@@H]([NH3+])c1ccccc1CC ZINC000418604910 243268839 /nfs/dbraw/zinc/26/88/39/243268839.db2.gz SNMKVHUNAWDQGE-IUODEOHRSA-N 2 0 292.427 1.546 10 0 CDAERP CC[C@@H]([NH3+])CNC(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000418736355 243389308 /nfs/dbraw/zinc/38/93/08/243389308.db2.gz UOSPRVVHAYDSRY-CQSZACIVSA-N 2 0 284.448 1.487 10 0 CDAERP CO[C@@H](C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1)C1CCC1 ZINC000660075050 412772188 /nfs/dbraw/zinc/77/21/88/412772188.db2.gz VTNXQGQHGMKPGQ-IRXDYDNUSA-N 2 0 295.471 1.513 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CCN2C(=O)c3ccccc3C2=O)CC[NH2+]1 ZINC000414947306 370935830 /nfs/dbraw/zinc/93/58/30/370935830.db2.gz KQBZIJYTGNVGBG-NEPJUHHUSA-N 2 0 287.363 1.013 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000543714995 368956793 /nfs/dbraw/zinc/95/67/93/368956793.db2.gz RKQIIXITYZDPJR-AWEZNQCLSA-N 2 0 292.427 1.754 10 0 CDAERP CS[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1[NH+](C)C ZINC000362963272 369125979 /nfs/dbraw/zinc/12/59/79/369125979.db2.gz KFTWQGRSUMBNIU-UONOGXRCSA-N 2 0 299.484 1.222 10 0 CDAERP C[NH+](C)C1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000420812946 244396611 /nfs/dbraw/zinc/39/66/11/244396611.db2.gz VFWNCJRTKMVVIX-RUXDESIVSA-N 2 0 282.432 1.253 10 0 CDAERP [NH3+][C@@H](c1cn(CC[NH+]2CCCC2)nn1)c1ccc(F)cc1 ZINC000630617429 369421926 /nfs/dbraw/zinc/42/19/26/369421926.db2.gz CCGLZNOWFWDQGN-OAHLLOKOSA-N 2 0 289.358 1.561 10 0 CDAERP CC(C)[C@H]1C[C@@H]1C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000548185860 369781137 /nfs/dbraw/zinc/78/11/37/369781137.db2.gz QKSCLOWWDVIBEP-KGLIPLIRSA-N 2 0 269.433 1.230 10 0 CDAERP O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000417084243 284201438 /nfs/dbraw/zinc/20/14/38/284201438.db2.gz VTCRXTVAOPAIAX-BYNSBNAKSA-N 2 0 292.427 1.149 10 0 CDAERP COCC1(CC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000565892410 370560965 /nfs/dbraw/zinc/56/09/65/370560965.db2.gz GMWBMYMQULHIOR-SOUVJXGZSA-N 2 0 282.428 1.550 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCOc1ccccc1F ZINC000422759467 245223665 /nfs/dbraw/zinc/22/36/65/245223665.db2.gz PDALVSXOFCEQAR-LBPRGKRZSA-N 2 0 270.348 1.548 10 0 CDAERP CC[C@@H](Cn1cncn1)[NH2+]CC(C)(C)C[NH+](C)C ZINC000340473742 371076508 /nfs/dbraw/zinc/07/65/08/371076508.db2.gz OSSLRBKWIOGVDL-LBPRGKRZSA-N 2 0 253.394 1.234 10 0 CDAERP CC[NH+]1CCC(CC[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000422784839 245253673 /nfs/dbraw/zinc/25/36/73/245253673.db2.gz MLNBWIHLOGAWRN-HIFRSBDPSA-N 3 0 253.434 1.839 10 0 CDAERP C[C@H](NCC[N@@H+]1CCCC[C@@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000422855812 245338866 /nfs/dbraw/zinc/33/88/66/245338866.db2.gz FFZXINMSMVSLJU-KKUMJFAQSA-N 2 0 253.434 1.981 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)N(CC)[C@H]2CC[NH+](C)C2)C1 ZINC000666920129 482987737 /nfs/dbraw/zinc/98/77/37/482987737.db2.gz NWHZEAVDFUACHQ-KBPBESRZSA-N 2 0 282.432 1.206 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2(CC(N)=O)CC2)[C@H]2CCC[C@@H]21 ZINC000573473671 371555784 /nfs/dbraw/zinc/55/57/84/371555784.db2.gz CEQSBNVQVFHQGM-AGIUHOORSA-N 2 0 265.401 1.104 10 0 CDAERP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000581080897 372822511 /nfs/dbraw/zinc/82/25/11/372822511.db2.gz ZDWYCZZPBAQAMJ-BBWFWOEESA-N 2 0 292.423 1.666 10 0 CDAERP CC(C)C[C@H]([NH3+])C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000178747961 372977956 /nfs/dbraw/zinc/97/79/56/372977956.db2.gz UKBWTLRWZCGRAD-ZDUSSCGKSA-N 2 0 253.390 1.057 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001661739376 1172438720 /nfs/dbraw/zinc/43/87/20/1172438720.db2.gz QFYWIZNOHBUGQK-ZDUSSCGKSA-N 2 0 255.406 1.175 10 0 CDAERP C[NH2+]CCN[C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000423253430 245695592 /nfs/dbraw/zinc/69/55/92/245695592.db2.gz ZBCSDVFJEIJERN-HUUCEWRRSA-N 2 0 263.385 1.297 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000062973031 373207658 /nfs/dbraw/zinc/20/76/58/373207658.db2.gz GJMWOWOIVPEHFL-HNNXBMFYSA-N 2 0 273.380 1.456 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000341055438 373250674 /nfs/dbraw/zinc/25/06/74/373250674.db2.gz QYCBZRADAYTZPV-MCIONIFRSA-N 2 0 284.448 1.451 10 0 CDAERP CC[C@@H](C)[C@H](C[NH2+]C1CCN(CCO)CC1)OC ZINC000399211544 373331513 /nfs/dbraw/zinc/33/15/13/373331513.db2.gz XYVAEJIFLMFMOW-OCCSQVGLSA-N 2 0 258.406 1.094 10 0 CDAERP c1nn(-c2cc[nH+]cc2)cc1N[C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000643469223 374009086 /nfs/dbraw/zinc/00/90/86/374009086.db2.gz BCFJWGNWBVAYFT-JKSUJKDBSA-N 2 0 299.378 1.446 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000418580081 374416083 /nfs/dbraw/zinc/41/60/83/374416083.db2.gz SHAVRJNIYBBJPY-QLFBSQMISA-N 2 0 294.443 1.254 10 0 CDAERP C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000342823174 374607607 /nfs/dbraw/zinc/60/76/07/374607607.db2.gz VLISVRTVLDIYLR-HIFRSBDPSA-N 2 0 292.427 1.062 10 0 CDAERP CC(C)(C)[C@H](O)C[C@H](CO)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000342822302 374608353 /nfs/dbraw/zinc/60/83/53/374608353.db2.gz FXQNBNZIJZISRQ-LJISPDSOSA-N 2 0 284.444 1.361 10 0 CDAERP C(CN1CCC[C@H]2C[NH2+]CC[C@H]21)C1CC[NH2+]CC1 ZINC000631891263 374754396 /nfs/dbraw/zinc/75/43/96/374754396.db2.gz ZVLUTJFGRFUWHQ-LSDHHAIUSA-N 2 0 251.418 1.450 10 0 CDAERP Cc1nc(N)nc(NCCCC[N@H+]2CCCC[C@H]2C)n1 ZINC000631060827 374829142 /nfs/dbraw/zinc/82/91/42/374829142.db2.gz WLOZLWHVMQKXSD-LLVKDONJSA-N 2 0 278.404 1.081 10 0 CDAERP CCn1cc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](CC)C2)cn1 ZINC000044498823 374997613 /nfs/dbraw/zinc/99/76/13/374997613.db2.gz YBUYPLRYINIPBV-OLZOCXBDSA-N 2 0 250.390 1.895 10 0 CDAERP CN(CC[NH+](C)C)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415964150 375489945 /nfs/dbraw/zinc/48/99/45/375489945.db2.gz WTVCYYDPKJVNOC-UHFFFAOYSA-N 2 0 294.374 1.497 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)NCCC[NH3+])c1ccc(Cl)cc1 ZINC000564065224 375687054 /nfs/dbraw/zinc/68/70/54/375687054.db2.gz UWLOGZOOHGOMMP-ZDUSSCGKSA-N 2 0 298.818 1.591 10 0 CDAERP C[C@H](CNC(=O)N[C@H](C)[C@H](C)[NH3+])[N@@H+]1CCC[C@@H](C)C1 ZINC000417024572 375709743 /nfs/dbraw/zinc/70/97/43/375709743.db2.gz XJDWGDCKYLSJRT-FVCCEPFGSA-N 2 0 270.421 1.142 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000417025678 375709827 /nfs/dbraw/zinc/70/98/27/375709827.db2.gz NECGYQZRLCAMEV-CRWXNKLISA-N 2 0 284.448 1.389 10 0 CDAERP CSC1(C[NH2+][C@@H]2CN(C)C[C@@H]2C)CC[NH+](C)CC1 ZINC000353228067 375857376 /nfs/dbraw/zinc/85/73/76/375857376.db2.gz PWYWNCIIQLTSTA-QWHCGFSZSA-N 2 0 271.474 1.354 10 0 CDAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC[NH+](CC)CC ZINC000245589862 376103243 /nfs/dbraw/zinc/10/32/43/376103243.db2.gz AWJSEGPGMOMSPO-CABCVRRESA-N 2 0 296.459 1.596 10 0 CDAERP C[C@@H]1C[N@H+](CCC(=O)Nc2cc(F)cc(F)c2)C[C@H]1C[NH3+] ZINC000631839155 376686754 /nfs/dbraw/zinc/68/67/54/376686754.db2.gz AYFHOJNVQWIEMY-GHMZBOCLSA-N 2 0 297.349 1.820 10 0 CDAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc4nccn4c3)CC[C@H]21 ZINC000247970885 377189754 /nfs/dbraw/zinc/18/97/54/377189754.db2.gz HIFHWVNYXFEDPS-UKRRQHHQSA-N 2 0 298.390 1.891 10 0 CDAERP Cc1[nH+]ccc(N2CCC[N@H+](CCO)CC2)c1Cl ZINC000336793550 377524664 /nfs/dbraw/zinc/52/46/64/377524664.db2.gz XEMSHUBDNRLDNL-UHFFFAOYSA-N 2 0 269.776 1.548 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000334890422 377680897 /nfs/dbraw/zinc/68/08/97/377680897.db2.gz VACAQHCRVUAMFF-OCCSQVGLSA-N 2 0 296.459 1.547 10 0 CDAERP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCC1([NH3+])CCCCCC1 ZINC000334936457 377706605 /nfs/dbraw/zinc/70/66/05/377706605.db2.gz QEPNGBPBTFPSFX-KBPBESRZSA-N 2 0 296.459 1.949 10 0 CDAERP C[NH2+][C@@H]1CCN(C(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000334937827 377710237 /nfs/dbraw/zinc/71/02/37/377710237.db2.gz XRZUHQNIWSEAMS-GFCCVEGCSA-N 2 0 268.405 1.041 10 0 CDAERP CC(C)([NH3+])CCC(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000632862002 377938947 /nfs/dbraw/zinc/93/89/47/377938947.db2.gz QHHFWPJIXBXBQG-NEPJUHHUSA-N 2 0 253.390 1.104 10 0 CDAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C[C@H]1CCC[NH2+]1 ZINC000165644690 377950647 /nfs/dbraw/zinc/95/06/47/377950647.db2.gz GLJRGALAFPILGL-CVEARBPZSA-N 2 0 289.423 1.418 10 0 CDAERP C[NH+](C)CCOc1ccc(C[NH2+][C@H](CO)C2CCC2)cc1 ZINC000657559109 412894860 /nfs/dbraw/zinc/89/48/60/412894860.db2.gz VEDCYZFXGJJYDI-QGZVFWFLSA-N 2 0 292.423 1.878 10 0 CDAERP CCC[C@@H](O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662325218 412896054 /nfs/dbraw/zinc/89/60/54/412896054.db2.gz DBJJTACHLVUIBW-KGLIPLIRSA-N 2 0 258.406 1.190 10 0 CDAERP [NH3+][C@@H]1CCC[C@H](NC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000446412280 250292480 /nfs/dbraw/zinc/29/24/80/250292480.db2.gz HHHLNYUAIBMRNF-RFGFWPKPSA-N 2 0 267.417 1.670 10 0 CDAERP CC(C)[C@H]1CN(C(=O)C[C@H](C)C2CC[NH2+]CC2)CC[N@@H+]1C ZINC000634300802 379360057 /nfs/dbraw/zinc/36/00/57/379360057.db2.gz MCOLHNMVOLKJKH-GOEBONIOSA-N 2 0 295.471 1.811 10 0 CDAERP C[NH2+]Cc1ccc(NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000655909384 412913325 /nfs/dbraw/zinc/91/33/25/412913325.db2.gz ISJAVITZGPDQQK-OTVXOJSOSA-N 2 0 290.411 1.868 10 0 CDAERP CC(C)[N@@H+]1CCCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655915671 412921284 /nfs/dbraw/zinc/92/12/84/412921284.db2.gz PKSFCMLVKCOZOE-SNVBAGLBSA-N 2 0 296.337 1.002 10 0 CDAERP CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001662630585 1172571334 /nfs/dbraw/zinc/57/13/34/1172571334.db2.gz KJCQNBGTWFFUJM-GJZGRUSLSA-N 2 0 281.444 1.707 10 0 CDAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]C3CCOCC3)cc2)C1 ZINC000657595507 412921046 /nfs/dbraw/zinc/92/10/46/412921046.db2.gz QNZJOEZRYFNBCV-KRWDZBQOSA-N 2 0 290.407 1.522 10 0 CDAERP CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655923504 412929515 /nfs/dbraw/zinc/92/95/15/412929515.db2.gz ZJHXUGKFKUGESO-UWVGGRQHSA-N 2 0 296.337 1.050 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655921062 412931214 /nfs/dbraw/zinc/93/12/14/412931214.db2.gz NWOQCUCIMPIOLL-JTQLQIEISA-N 2 0 298.353 1.105 10 0 CDAERP C[NH+](C)CCCC1CC[NH+](C[C@@]2(O)CCCOC2)CC1 ZINC000660156765 412967632 /nfs/dbraw/zinc/96/76/32/412967632.db2.gz HOTKDKDQMLQXRQ-INIZCTEOSA-N 2 0 284.444 1.582 10 0 CDAERP COCCN1CCC[C@@H]1C[NH2+][C@H](C)Cc1cnccn1 ZINC000453085235 252267091 /nfs/dbraw/zinc/26/70/91/252267091.db2.gz FXBBKDVBRCYWPW-UKRRQHHQSA-N 2 0 278.400 1.108 10 0 CDAERP CC(C)c1ccc([C@H]([NH3+])CNC(=O)CC2([NH3+])CC2)cc1 ZINC000662413658 412982655 /nfs/dbraw/zinc/98/26/55/412982655.db2.gz PDWQRQMPLDUNPG-CQSZACIVSA-N 2 0 275.396 1.807 10 0 CDAERP O[C@@H]1C[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C12CCC2 ZINC000657710860 412997120 /nfs/dbraw/zinc/99/71/20/412997120.db2.gz YAMBEZYDRBWFOL-HUUCEWRRSA-N 2 0 284.363 1.660 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](C)c1ncc(C)s1 ZINC000423042630 285220036 /nfs/dbraw/zinc/22/00/36/285220036.db2.gz ZVBOARFNWIYWAH-CMPLNLGQSA-N 2 0 271.430 1.899 10 0 CDAERP CC(C)[NH2+]CC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000662450085 413029881 /nfs/dbraw/zinc/02/98/81/413029881.db2.gz FXOCQTXMZHMVLC-STQMWFEESA-N 2 0 255.406 1.364 10 0 CDAERP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)CC2(OC)CCC2)CC1 ZINC000429522026 285333237 /nfs/dbraw/zinc/33/32/37/285333237.db2.gz ODYXGLVCVBPQNA-HOTGVXAUSA-N 2 0 297.487 1.950 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)N[C@@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000418555055 285368244 /nfs/dbraw/zinc/36/82/44/285368244.db2.gz PAVKZKFZYZSKQZ-BFHYXJOUSA-N 2 0 282.432 1.110 10 0 CDAERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C1 ZINC000085635175 285382122 /nfs/dbraw/zinc/38/21/22/285382122.db2.gz URRZEHPGOUAFFI-RQJABVFESA-N 2 0 252.402 1.731 10 0 CDAERP C[C@]1(C[NH+]2CCC([C@@H]3CCOC3)CC2)CC[NH2+]C1 ZINC000647539101 390685919 /nfs/dbraw/zinc/68/59/19/390685919.db2.gz WWSVEKVBSOBEFE-CABCVRRESA-N 2 0 252.402 1.735 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@H](C)[NH3+])[C@@H](C)C1 ZINC000418724234 285390085 /nfs/dbraw/zinc/39/00/85/285390085.db2.gz NGHLUKLVEPXEST-RVMXOQNASA-N 2 0 270.421 1.094 10 0 CDAERP O=C(N[C@@H]1CC[NH2+]C12CCCC2)[C@@H]1C[NH2+]CCC1(F)F ZINC000648210498 390953066 /nfs/dbraw/zinc/95/30/66/390953066.db2.gz SYYIKFRFDCEXNR-WDEREUQCSA-N 2 0 287.354 1.022 10 0 CDAERP O=C(N[C@@H]1CC[NH2+]C12CCCC2)[C@H]1C[NH2+]Cc2ccccc21 ZINC000648211556 390953756 /nfs/dbraw/zinc/95/37/56/390953756.db2.gz VBZFRFXFGUQXFO-JKSUJKDBSA-N 2 0 299.418 1.664 10 0 CDAERP [NH3+]C[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)C1CCCCC1 ZINC000237892240 390888137 /nfs/dbraw/zinc/88/81/37/390888137.db2.gz ORJXNNBVJFZHJL-VGWMRTNUSA-N 2 0 293.455 1.931 10 0 CDAERP OCc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1F ZINC000415083042 391000075 /nfs/dbraw/zinc/00/00/75/391000075.db2.gz DYAYWGOZBLKJPE-CYBMUJFWSA-N 2 0 252.333 1.550 10 0 CDAERP CCC[NH+]1CCC(NC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)CC1 ZINC000417754015 391032315 /nfs/dbraw/zinc/03/23/15/391032315.db2.gz VDIISECFOWHSMI-HNNXBMFYSA-N 2 0 294.443 1.397 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000417754737 391037288 /nfs/dbraw/zinc/03/72/88/391037288.db2.gz VZMPOXNTJVMPEB-CYBMUJFWSA-N 2 0 282.432 1.112 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H](NC(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000418287543 391114709 /nfs/dbraw/zinc/11/47/09/391114709.db2.gz UEKDIGCIUZZMMP-CHWSQXEVSA-N 2 0 282.432 1.607 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCN2CCCC2=O)[C@H]2CCC[C@@H]21 ZINC000367626267 391276612 /nfs/dbraw/zinc/27/66/12/391276612.db2.gz NSXGXAJRULKWHV-ILXRZTDVSA-N 2 0 279.428 1.461 10 0 CDAERP CC(C)C[C@@H]([NH3+])CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000110371170 391394705 /nfs/dbraw/zinc/39/47/05/391394705.db2.gz DNFLGWONJOZRAC-CABCVRRESA-N 2 0 253.434 1.920 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000354575411 391423531 /nfs/dbraw/zinc/42/35/31/391423531.db2.gz MIFIGHBEVBCRFV-SOUVJXGZSA-N 2 0 281.444 1.659 10 0 CDAERP CS[C@@H]1CC[C@H]1[NH2+]CCCC[NH+]1CCOCC1 ZINC000425364341 391486318 /nfs/dbraw/zinc/48/63/18/391486318.db2.gz ZBTGMCPURBHMDS-CHWSQXEVSA-N 2 0 258.431 1.582 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000417822327 391488279 /nfs/dbraw/zinc/48/82/79/391488279.db2.gz WWROVFULLNNGIW-HNNXBMFYSA-N 2 0 293.455 1.755 10 0 CDAERP CCN1CC[NH+](CCCC[NH2+][C@@H]2CC[C@H]2SC)CC1 ZINC000425348902 391473674 /nfs/dbraw/zinc/47/36/74/391473674.db2.gz DWGQXRMTIBIUHT-HUUCEWRRSA-N 2 0 285.501 1.888 10 0 CDAERP COCCOc1cc2c(cc1C[NH2+]C[C@@H](C)C[NH3+])OCO2 ZINC000414875870 391491655 /nfs/dbraw/zinc/49/16/55/391491655.db2.gz KKZASYRXVZKINJ-NSHDSACASA-N 2 0 296.367 1.125 10 0 CDAERP OC[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cccnc1 ZINC000647796873 391648227 /nfs/dbraw/zinc/64/82/27/391648227.db2.gz QCVMYNSNGKNBML-YHUYYLMFSA-N 2 0 275.396 1.135 10 0 CDAERP C1C([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1[NH+]1CCCCC1 ZINC000647796817 391648426 /nfs/dbraw/zinc/64/84/26/391648426.db2.gz OGUNJNPUUFEZIW-CGLCSIQHSA-N 3 0 277.456 1.981 10 0 CDAERP C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC000647990813 391671464 /nfs/dbraw/zinc/67/14/64/391671464.db2.gz JTEIKOHAWCRVIQ-WWGRRREGSA-N 2 0 260.381 1.920 10 0 CDAERP CN1CC[C@H]([NH2+]C[C@H]2CC[NH2+]C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000647992511 391700050 /nfs/dbraw/zinc/70/00/50/391700050.db2.gz INLYIGNKWQONBP-UVBJJODRSA-N 2 0 295.377 1.909 10 0 CDAERP CC(C)(C)[NH2+]CCN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415041243 391734835 /nfs/dbraw/zinc/73/48/35/391734835.db2.gz LFOGUKJHYGXOOZ-KBPBESRZSA-N 2 0 253.434 1.839 10 0 CDAERP Cc1nn(C)c2ncc(C[N@H+]3C[C@@H](C)[C@](C)(C[NH3+])C3)cc12 ZINC000415054651 391738281 /nfs/dbraw/zinc/73/82/81/391738281.db2.gz MGGUOHHZOPDUQJ-BDJLRTHQSA-N 2 0 287.411 1.693 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000417704710 391758378 /nfs/dbraw/zinc/75/83/78/391758378.db2.gz RDBWCVHATBZFOO-FRRDWIJNSA-N 2 0 270.421 1.286 10 0 CDAERP CCSCC[NH2+]CC1(N2CCCC2)CCOCC1 ZINC000438214920 391899076 /nfs/dbraw/zinc/89/90/76/391899076.db2.gz MPUMTNZMLICNGI-UHFFFAOYSA-N 2 0 272.458 1.974 10 0 CDAERP C[NH+]1CCC2(CC1)C[N@H+](CCOC1CCC1)CCO2 ZINC000646106684 392016361 /nfs/dbraw/zinc/01/63/61/392016361.db2.gz LRZAEOJCOSGDHN-UHFFFAOYSA-N 2 0 268.401 1.352 10 0 CDAERP CCC[NH+]1CCC([NH2+][C@H](CC)Cn2cncn2)CC1 ZINC000438829611 391969453 /nfs/dbraw/zinc/96/94/53/391969453.db2.gz KSTGJPMXCWESJY-CYBMUJFWSA-N 2 0 265.405 1.521 10 0 CDAERP C[NH+]1CCC2(CC1)C[N@H+](CCCn1ccnc1)CCO2 ZINC000646105899 392014529 /nfs/dbraw/zinc/01/45/29/392014529.db2.gz KYYVMNZQPPEHBJ-UHFFFAOYSA-N 2 0 278.400 1.070 10 0 CDAERP CC(C)(C)[C@@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C[C@H]1O ZINC000261914603 392026077 /nfs/dbraw/zinc/02/60/77/392026077.db2.gz JQEOZIQETFOMFB-BFHYXJOUSA-N 2 0 254.418 1.715 10 0 CDAERP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCC[C@H]1CCOC1 ZINC000645837953 392238564 /nfs/dbraw/zinc/23/85/64/392238564.db2.gz VUAFEFZFGDOHNZ-YLFCFFPRSA-N 2 0 296.455 1.987 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](C)c1nc(C)cs1 ZINC000423036849 392290344 /nfs/dbraw/zinc/29/03/44/392290344.db2.gz LWFLSKYDSMHOPY-ZYHUDNBSSA-N 2 0 271.430 1.899 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1COc2ccccc21 ZINC000423121391 392360946 /nfs/dbraw/zinc/36/09/46/392360946.db2.gz IPNHZWQPMHRIDX-OLZOCXBDSA-N 2 0 264.369 1.506 10 0 CDAERP O[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423165404 392403212 /nfs/dbraw/zinc/40/32/12/392403212.db2.gz PYFIOPGRIKYGOQ-NJVJYBDUSA-N 2 0 252.402 1.658 10 0 CDAERP COc1ccc([C@@H](N[C@H](C)C[NH3+])[C@H]2CCC[NH2+]2)cc1 ZINC000423337746 392525487 /nfs/dbraw/zinc/52/54/87/392525487.db2.gz VLVSIPDOPRDKGO-KCPJHIHWSA-N 2 0 263.385 1.425 10 0 CDAERP C[C@@H](C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[C@H](C)[NH3+] ZINC000645889373 392471776 /nfs/dbraw/zinc/47/17/76/392471776.db2.gz GNWHYOVRDXRKFG-ZJUUUORDSA-N 2 0 259.313 1.189 10 0 CDAERP C([NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1)[C@H]1C[NH2+]CCCO1 ZINC000423492647 392580249 /nfs/dbraw/zinc/58/02/49/392580249.db2.gz OADKCLSYULPBDY-QKPAOTATSA-N 2 0 282.428 1.550 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000646652235 392618835 /nfs/dbraw/zinc/61/88/35/392618835.db2.gz FGIXAYOGFNVZIM-ZIAGYGMSSA-N 2 0 267.417 1.509 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000646670339 392640887 /nfs/dbraw/zinc/64/08/87/392640887.db2.gz XGTRLYKTRADCOO-STQMWFEESA-N 2 0 253.390 1.058 10 0 CDAERP C[NH2+]C1CCN(C(=O)C[C@@H](C)C2CC[NH2+]CC2)CC1 ZINC000646732600 392701854 /nfs/dbraw/zinc/70/18/54/392701854.db2.gz YABUJEHPGPWYBA-GFCCVEGCSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCO)CC1 ZINC000449217795 392713684 /nfs/dbraw/zinc/71/36/84/392713684.db2.gz BVCVIXBNDCNGBX-CQSZACIVSA-N 2 0 262.397 1.664 10 0 CDAERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@H](C)COC)C1 ZINC000527115907 392722147 /nfs/dbraw/zinc/72/21/47/392722147.db2.gz CERUEFAIKUCFPW-LSDHHAIUSA-N 2 0 272.433 1.702 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)C[N@H+](CC)C2CC2)CC1 ZINC000131749378 393073976 /nfs/dbraw/zinc/07/39/76/393073976.db2.gz SIQPZBYJBWOUPL-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP C[NH+]1CCC(CNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000237107706 140250142 /nfs/dbraw/zinc/25/01/42/140250142.db2.gz UPSBGNOPJDUUCK-LSDHHAIUSA-N 2 0 281.444 1.742 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)CC(=O)NCc2ccco2)[C@@H](C)C1 ZINC000245414442 140267096 /nfs/dbraw/zinc/26/70/96/140267096.db2.gz CHEOCXIFQCWCOC-ZFWWWQNUSA-N 2 0 293.411 1.558 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000252114909 140317101 /nfs/dbraw/zinc/31/71/01/140317101.db2.gz IJLDVNYUPBREDR-HZSPNIEDSA-N 2 0 267.417 1.495 10 0 CDAERP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](N[C@H]4CC[NH2+]C4)[C@H]3C2)cc1 ZINC000261547953 140344581 /nfs/dbraw/zinc/34/45/81/140344581.db2.gz MWXCRFHTCSNDBO-XSLAGTTESA-N 2 0 285.435 1.849 10 0 CDAERP c1csc(C[N@H+]2CCC[C@H](CNC3=[NH+]CCCN3)C2)c1 ZINC000261734748 140382459 /nfs/dbraw/zinc/38/24/59/140382459.db2.gz HQYZNZZKHQZBIS-CYBMUJFWSA-N 2 0 292.452 1.899 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)CC(C)(C)[NH3+] ZINC000261745709 140383956 /nfs/dbraw/zinc/38/39/56/140383956.db2.gz BSXQZKMBWKUDMA-GJZGRUSLSA-N 2 0 276.428 1.744 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)CC[C@H]2CC[NH2+]C2)CC1 ZINC000261769303 140386808 /nfs/dbraw/zinc/38/68/08/140386808.db2.gz IQUFDNXCINOEDB-AWEZNQCLSA-N 2 0 281.444 1.614 10 0 CDAERP C[C@@]1(CN2CC[NH+](CCc3cccs3)CC2)CC[NH2+]C1 ZINC000261772795 140387478 /nfs/dbraw/zinc/38/74/78/140387478.db2.gz MVBXTPFIIKVJPT-MRXNPFEDSA-N 2 0 293.480 1.908 10 0 CDAERP C[NH+](C)CCCNC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662522753 413092113 /nfs/dbraw/zinc/09/21/13/413092113.db2.gz CZRXPMJKBDYDPI-CQSZACIVSA-N 2 0 261.369 1.289 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000662526351 413096958 /nfs/dbraw/zinc/09/69/58/413096958.db2.gz DINPSCUYDLHVLE-KLHDSHLOSA-N 2 0 293.455 1.850 10 0 CDAERP COc1c(C)cccc1C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000656200276 413098271 /nfs/dbraw/zinc/09/82/71/413098271.db2.gz KTIWNOBOESJYSL-AEGPPILISA-N 2 0 278.396 1.846 10 0 CDAERP C[N@@H+]1CCN(CC[NH2+][C@H]2CCCSCC2)CC1(C)C ZINC000658004434 413128744 /nfs/dbraw/zinc/12/87/44/413128744.db2.gz ZYDHSGWHRRCBTB-AWEZNQCLSA-N 2 0 285.501 1.888 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000664212805 413148752 /nfs/dbraw/zinc/14/87/52/413148752.db2.gz KIDDNQHFIAVSLE-KGLIPLIRSA-N 2 0 296.459 1.643 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)N[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000664216001 413152046 /nfs/dbraw/zinc/15/20/46/413152046.db2.gz FAFDCSHJARPYKW-ZIAGYGMSSA-N 2 0 298.475 1.889 10 0 CDAERP O=C(CC[NH2+]C1CC1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662591405 413156836 /nfs/dbraw/zinc/15/68/36/413156836.db2.gz SGWXMCKOGFINME-AWEZNQCLSA-N 2 0 279.428 1.367 10 0 CDAERP CC(C)OC(=O)CC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420387999 397701805 /nfs/dbraw/zinc/70/18/05/397701805.db2.gz GVBRVQYMIQPMSA-ZIAGYGMSSA-N 2 0 268.401 1.792 10 0 CDAERP FC1(F)CCCC[C@H]1C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000381603785 397744444 /nfs/dbraw/zinc/74/44/44/397744444.db2.gz NRBNHFAMUDUGNR-UONOGXRCSA-N 2 0 287.398 1.791 10 0 CDAERP FC1(F)CCCC[C@@H]1C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000381603782 397744621 /nfs/dbraw/zinc/74/46/21/397744621.db2.gz NRBNHFAMUDUGNR-KGLIPLIRSA-N 2 0 287.398 1.791 10 0 CDAERP C[C@@H]([NH2+]C[C@@H]1CCCCN1CCO)C1CC[NH+](C)CC1 ZINC000651381413 397969298 /nfs/dbraw/zinc/96/92/98/397969298.db2.gz DBCDPLLUACRKBV-ZBFHGGJFSA-N 2 0 283.460 1.153 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCC[NH+]2C)C1 ZINC000105192145 147217167 /nfs/dbraw/zinc/21/71/67/147217167.db2.gz RBOLCLCHIMFVBF-CABCVRRESA-N 2 0 296.459 1.500 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC[NH2+]1 ZINC000662621985 413211268 /nfs/dbraw/zinc/21/12/68/413211268.db2.gz NNRHAXSJYOSRJI-RWMBFGLXSA-N 2 0 267.417 1.364 10 0 CDAERP CC[NH+](CC)CCCNC(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000176137131 148025021 /nfs/dbraw/zinc/02/50/21/148025021.db2.gz ZWWXVFRYLABWFD-OAHLLOKOSA-N 2 0 298.475 1.844 10 0 CDAERP CC1(CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]CC1 ZINC000183373347 148298107 /nfs/dbraw/zinc/29/81/07/148298107.db2.gz AFGNJVPBMPJXDS-NWDGAFQWSA-N 2 0 253.390 1.010 10 0 CDAERP C[C@@H](F)CC[NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001664186705 1172821735 /nfs/dbraw/zinc/82/17/35/1172821735.db2.gz RKHDEQKDLPXWCY-CHWSQXEVSA-N 2 0 273.396 1.124 10 0 CDAERP Cc1nc2ccccn2c1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000334858397 150000491 /nfs/dbraw/zinc/00/04/91/150000491.db2.gz SMHXGJDMLONDHL-DGCLKSJQSA-N 2 0 258.369 1.730 10 0 CDAERP [NH3+]C1(C(=O)N2CCC(c3ncc[nH]3)CC2)CCCC1 ZINC000334877085 150021033 /nfs/dbraw/zinc/02/10/33/150021033.db2.gz CSHHLFZRGSMKLD-UHFFFAOYSA-N 2 0 262.357 1.387 10 0 CDAERP C[NH+](C)[C@H]1CCCN(C(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000334926360 150091673 /nfs/dbraw/zinc/09/16/73/150091673.db2.gz AGISDOATGMJXQP-AWEZNQCLSA-N 2 0 296.459 1.774 10 0 CDAERP CC1=CC[N@H+](CCNC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000335186538 150384201 /nfs/dbraw/zinc/38/42/01/150384201.db2.gz KRYWBBUOPSMWPN-CABCVRRESA-N 2 0 292.427 1.032 10 0 CDAERP [NH3+]Cc1ccc(CNC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000335350214 150573284 /nfs/dbraw/zinc/57/32/84/150573284.db2.gz RJFIFUDAGAUUSL-HUUCEWRRSA-N 2 0 288.395 1.039 10 0 CDAERP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC2(O)CCC2)C1 ZINC000342370571 151817235 /nfs/dbraw/zinc/81/72/35/151817235.db2.gz DWQTYJHEMHXWSR-AWEZNQCLSA-N 2 0 270.417 1.334 10 0 CDAERP CCC[NH+]1CCC([NH2+]CCO[C@@H]2CC2(F)F)CC1 ZINC000658164030 413258878 /nfs/dbraw/zinc/25/88/78/413258878.db2.gz ALWVOPWFXWUHLH-GFCCVEGCSA-N 2 0 262.344 1.875 10 0 CDAERP C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000346604793 153241080 /nfs/dbraw/zinc/24/10/80/153241080.db2.gz DCRHEKOCVCLMKO-BBRMVZONSA-N 2 0 293.455 1.898 10 0 CDAERP C[NH+](C)C[C@@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)c1ccccc1 ZINC000662668346 413282526 /nfs/dbraw/zinc/28/25/26/413282526.db2.gz DQWOPQFJCWXHHX-MGPQQGTHSA-N 2 0 261.369 1.143 10 0 CDAERP Cn1cc([C@@H]([NH2+]CCn2ccnc2)C2(CO)CCC2)cn1 ZINC000660602166 413286850 /nfs/dbraw/zinc/28/68/50/413286850.db2.gz PBEVJRVQBZATPO-CQSZACIVSA-N 2 0 289.383 1.110 10 0 CDAERP [NH3+]C1(CC(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000662681468 413304781 /nfs/dbraw/zinc/30/47/81/413304781.db2.gz FQBPQAZEZKJCFX-UHFFFAOYSA-N 2 0 287.407 1.432 10 0 CDAERP [NH3+][C@@H](CC(F)F)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000662685691 413312384 /nfs/dbraw/zinc/31/23/84/413312384.db2.gz GMKWMNXKZYGUIK-NWDGAFQWSA-N 2 0 299.321 1.269 10 0 CDAERP [NH3+][C@H](c1cn([C@@H]2CCC[NH2+]C2)nn1)c1ccc(F)cc1 ZINC000656467763 413325050 /nfs/dbraw/zinc/32/50/50/413325050.db2.gz RUPUYBQPHHSBDJ-OCCSQVGLSA-N 2 0 275.331 1.390 10 0 CDAERP CN(CC1C[NH+](C)C1)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000660677618 413365168 /nfs/dbraw/zinc/36/51/68/413365168.db2.gz NHXAOECWBVYCTJ-AWEZNQCLSA-N 2 0 298.475 1.556 10 0 CDAERP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCc3nn(C)cc32)C1 ZINC000358927969 158075239 /nfs/dbraw/zinc/07/52/39/158075239.db2.gz DRHJVLGQTDPMOR-OCCSQVGLSA-N 2 0 262.401 1.729 10 0 CDAERP CCN(C)C(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000371474677 160014470 /nfs/dbraw/zinc/01/44/70/160014470.db2.gz HRVYBRXWHWXXPV-UHFFFAOYSA-N 2 0 267.417 1.273 10 0 CDAERP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662747816 413428553 /nfs/dbraw/zinc/42/85/53/413428553.db2.gz DMZZCSQYIOSMIT-ZIAGYGMSSA-N 2 0 287.423 1.786 10 0 CDAERP C[NH+](C)C[C@@H]1CN(C(=O)CC2([NH3+])CC2)c2ccccc2O1 ZINC000662753298 413431842 /nfs/dbraw/zinc/43/18/42/413431842.db2.gz XZWMMAJTEAEGRA-GFCCVEGCSA-N 2 0 289.379 1.224 10 0 CDAERP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@H](OC)C2CCC2)CC1 ZINC000660754608 413445184 /nfs/dbraw/zinc/44/51/84/413445184.db2.gz SXXGLUHFXUMRIR-INIZCTEOSA-N 2 0 297.487 1.807 10 0 CDAERP CC(C)NC(=O)CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173878264 165035906 /nfs/dbraw/zinc/03/59/06/165035906.db2.gz KGWCVCNVTUFORQ-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP [NH3+]C[C@@H](NC(=O)CC1([NH3+])CC1)c1ccc2ccccc2c1 ZINC000662772785 413472745 /nfs/dbraw/zinc/47/27/45/413472745.db2.gz GGMKGMWISNFAPS-OAHLLOKOSA-N 2 0 283.375 1.837 10 0 CDAERP [NH3+]C[C@]1(N2CCc3ccccc32)C[NH+]2CCC1CC2 ZINC000020442197 171204837 /nfs/dbraw/zinc/20/48/37/171204837.db2.gz XHMLPAIPHMWZIN-INIZCTEOSA-N 2 0 257.381 1.472 10 0 CDAERP CCCOc1ccc(C[NH2+]CCC[NH2+]CCO)cc1 ZINC000020967389 171282213 /nfs/dbraw/zinc/28/22/13/171282213.db2.gz XRKFQLGWPLMDIQ-UHFFFAOYSA-N 2 0 266.385 1.537 10 0 CDAERP CCC[NH+]1CCN([C@@H](C[NH3+])c2ccc(F)cc2F)CC1 ZINC000022175192 171369943 /nfs/dbraw/zinc/36/99/43/171369943.db2.gz AJZCMBYKXPUGTJ-HNNXBMFYSA-N 2 0 283.366 1.992 10 0 CDAERP CCC[NH+]1CCN([C@H](C[NH3+])c2ccc(F)cc2F)CC1 ZINC000022175195 171370099 /nfs/dbraw/zinc/37/00/99/171370099.db2.gz AJZCMBYKXPUGTJ-OAHLLOKOSA-N 2 0 283.366 1.992 10 0 CDAERP CCC[NH+]1CCN([C@@H](C[NH3+])Cc2ccccc2)CC1 ZINC000022222148 171378834 /nfs/dbraw/zinc/37/88/34/171378834.db2.gz DFQNATIVPAVUCX-MRXNPFEDSA-N 2 0 261.413 1.584 10 0 CDAERP CC[NH+]1CCN(C[C@H]([NH3+])c2ccc(OC)c(OC)c2)CC1 ZINC000022566217 171391737 /nfs/dbraw/zinc/39/17/37/171391737.db2.gz DUAYIBCOQHLANM-AWEZNQCLSA-N 2 0 293.411 1.341 10 0 CDAERP [NH3+]C1(CNC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)CCCCCC1 ZINC000655412975 412189305 /nfs/dbraw/zinc/18/93/05/412189305.db2.gz GCRODFFOYZUVOZ-DZGCQCFKSA-N 2 0 279.428 1.544 10 0 CDAERP C[C@]1([NH3+])CCCC[C@H]1C(=O)NCCC1(C[NH3+])CC1 ZINC000653221449 412148255 /nfs/dbraw/zinc/14/82/55/412148255.db2.gz XKCRGBSPQIXVOG-AAEUAGOBSA-N 2 0 253.390 1.139 10 0 CDAERP [NH3+]C1(CC(=O)N2CC[NH2+]C[C@H]2c2cccc(Cl)c2)CC1 ZINC000662774330 413477618 /nfs/dbraw/zinc/47/76/18/413477618.db2.gz QPTJCKJYCASLBR-ZDUSSCGKSA-N 2 0 293.798 1.694 10 0 CDAERP CC[C@H]1CN(C(=O)C2([NH2+]C3CC3)CCC2)CC[C@@H]1[NH3+] ZINC000662776099 413482142 /nfs/dbraw/zinc/48/21/42/413482142.db2.gz UQCYFIFUXGKTRN-AAEUAGOBSA-N 2 0 265.401 1.247 10 0 CDAERP C[C@@H](CCCC[NH3+])NC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662781078 413489125 /nfs/dbraw/zinc/48/91/25/413489125.db2.gz UIUWASJFMXHRJI-NSHDSACASA-N 2 0 253.390 1.282 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000237669032 287266566 /nfs/dbraw/zinc/26/65/66/287266566.db2.gz PYRAVQNJSAEDHR-RBSFLKMASA-N 2 0 281.444 1.885 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000664719425 413614356 /nfs/dbraw/zinc/61/43/56/413614356.db2.gz RNNMANYRPLAPFW-VXGBXAGGSA-N 2 0 255.406 1.221 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)COC1CCC([NH3+])CC1 ZINC000664719710 413616664 /nfs/dbraw/zinc/61/66/64/413616664.db2.gz WHJIFFMNBNRNDO-UHFFFAOYSA-N 2 0 299.459 1.510 10 0 CDAERP C[C@@H]([NH3+])[C@@H]1CN(c2cc[nH+]c3ccccc32)CCO1 ZINC000132936082 413793259 /nfs/dbraw/zinc/79/32/59/413793259.db2.gz CZOBTHMSWVEWIY-ABAIWWIYSA-N 2 0 257.337 1.787 10 0 CDAERP CCN(C(=O)NCC[C@H]1CCC[NH+](C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000665117350 413875027 /nfs/dbraw/zinc/87/50/27/413875027.db2.gz CQJBOTUMGLDMTQ-HUUCEWRRSA-N 2 0 296.459 1.454 10 0 CDAERP CN(CC(C)(C)[NH3+])C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000659461979 413849614 /nfs/dbraw/zinc/84/96/14/413849614.db2.gz QHNZZDVOZRJGDW-YHWZYXNKSA-N 2 0 282.432 1.380 10 0 CDAERP Cc1cncc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000665274868 414008392 /nfs/dbraw/zinc/00/83/92/414008392.db2.gz ZTZNKFLGRBKPEC-OAGGEKHMSA-N 2 0 274.412 1.838 10 0 CDAERP COC[C@H](CC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)OC ZINC000665234321 413958991 /nfs/dbraw/zinc/95/89/91/413958991.db2.gz AWMYVDHGPQXNQW-CQDKDKBSSA-N 2 0 264.369 1.772 10 0 CDAERP FC1(F)C[C@@H]1OCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000665244723 413977826 /nfs/dbraw/zinc/97/78/26/413977826.db2.gz VAEOOQDETAWLEW-LPWJVIDDSA-N 2 0 274.355 1.921 10 0 CDAERP C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1)[C@@H]1CCC[NH2+]1 ZINC000665273120 414004170 /nfs/dbraw/zinc/00/41/70/414004170.db2.gz QFPMFTLKOTVJSB-DRPJVOAASA-N 2 0 276.428 1.861 10 0 CDAERP CC[C@@H]1C[N@H+](CC)CCN1C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659620263 414028637 /nfs/dbraw/zinc/02/86/37/414028637.db2.gz ZPOYGPLGWDNNER-ZIAGYGMSSA-N 2 0 284.448 1.486 10 0 CDAERP C[C@@H]1[C@@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)C[C@@H]1c1ccccc1 ZINC000665292854 414034261 /nfs/dbraw/zinc/03/42/61/414034261.db2.gz KVOUMMCMJZBCHV-CQDKDKBSSA-N 2 0 298.390 1.923 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000659624470 414035850 /nfs/dbraw/zinc/03/58/50/414035850.db2.gz UQOOOPAJNOETEC-LSDHHAIUSA-N 2 0 298.475 1.876 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000659625341 414038712 /nfs/dbraw/zinc/03/87/12/414038712.db2.gz SDWVCOAEWWIOHE-CQSZACIVSA-N 2 0 298.475 1.876 10 0 CDAERP CN([C@H](CC[NH3+])C(F)(F)F)C1CC[NH+](C)CC1 ZINC000037178336 173012329 /nfs/dbraw/zinc/01/23/29/173012329.db2.gz ATUORWCFUOKWMG-SNVBAGLBSA-N 2 0 253.312 1.292 10 0 CDAERP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@](O)(C2CC2)C1 ZINC000661626084 414227444 /nfs/dbraw/zinc/22/74/44/414227444.db2.gz LROIAVFSKIHMQQ-GJZGRUSLSA-N 2 0 252.402 1.708 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](C[C@]2(O)CCCOC2)CC1 ZINC000659842468 414169746 /nfs/dbraw/zinc/16/97/46/414169746.db2.gz ABZNWBYAKWUZLL-MRXNPFEDSA-N 2 0 284.444 1.582 10 0 CDAERP CC[C@@H]1C[C@@H]([NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)CO1 ZINC000657338473 414196069 /nfs/dbraw/zinc/19/60/69/414196069.db2.gz XURPKEFKHXFGEN-NVXWUHKLSA-N 2 0 295.471 1.702 10 0 CDAERP C[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655803404 414196265 /nfs/dbraw/zinc/19/62/65/414196265.db2.gz ZWMWQLBAEFRNRP-SUJAAXHWSA-N 2 0 283.460 1.556 10 0 CDAERP C[C@H](CCn1cccn1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655804815 414197463 /nfs/dbraw/zinc/19/74/63/414197463.db2.gz CKAPABLQGDUGCN-MCIONIFRSA-N 2 0 250.390 1.592 10 0 CDAERP CC(C)OC[C@H](O)C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000663375023 414199762 /nfs/dbraw/zinc/19/97/62/414199762.db2.gz RKHSDJSQSMTCPH-MRXNPFEDSA-N 2 0 284.444 1.484 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)[C@@](C)([NH3+])C2CC2)CC1 ZINC000037615512 173563417 /nfs/dbraw/zinc/56/34/17/173563417.db2.gz LVOMFPBZVOOXJZ-AWEZNQCLSA-N 2 0 253.390 1.103 10 0 CDAERP CC[C@@H](COC)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657371949 414250382 /nfs/dbraw/zinc/25/03/82/414250382.db2.gz ZAMOXDVKHBOXJX-LBPRGKRZSA-N 2 0 260.341 1.782 10 0 CDAERP C[N@H+](CCO[C@H]1CC1(F)F)C[C@H]1CCC[NH+](C)C1 ZINC000659947887 414287559 /nfs/dbraw/zinc/28/75/59/414287559.db2.gz NTYBYIGQODEIHJ-RYUDHWBXSA-N 2 0 262.344 1.684 10 0 CDAERP C[C@@H]1CCCN(Cc2nc3c(s2)C[NH2+]CC3)[C@@H]1C[NH3+] ZINC000663496573 414294898 /nfs/dbraw/zinc/29/48/98/414294898.db2.gz WNONWFBKDNDAQT-ZYHUDNBSSA-N 2 0 280.441 1.348 10 0 CDAERP COC[C@@H](C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)OC ZINC000659957452 414300979 /nfs/dbraw/zinc/30/09/79/414300979.db2.gz SIIBRDGLBRCZJZ-HUUCEWRRSA-N 2 0 270.417 1.456 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)NCC1([NH+](C)C)CCCC1 ZINC000132389119 414428605 /nfs/dbraw/zinc/42/86/05/414428605.db2.gz DTHRBBUDCZDYNK-LBPRGKRZSA-N 2 0 255.406 1.350 10 0 CDAERP CCCn1nccc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000657505202 414405986 /nfs/dbraw/zinc/40/59/86/414405986.db2.gz WEROGBOWPBQBGI-XBXGTLAGSA-N 2 0 250.390 1.723 10 0 CDAERP CC(C)NC(=O)[C@H]1CCC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000662119973 414521590 /nfs/dbraw/zinc/52/15/90/414521590.db2.gz AGNQZONUXKAQPM-GJZGRUSLSA-N 2 0 281.444 1.707 10 0 CDAERP CC[NH+](CC)CCN(CC(C)C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662260043 414594523 /nfs/dbraw/zinc/59/45/23/414594523.db2.gz FNBBFFJKYZLHQV-INIZCTEOSA-N 2 0 297.487 1.807 10 0 CDAERP CN(CC[C@H]1CCCC[N@@H+]1C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662263819 414600773 /nfs/dbraw/zinc/60/07/73/414600773.db2.gz OCUYRLHEOYOWSJ-CABCVRRESA-N 2 0 281.444 1.314 10 0 CDAERP COC[C@@H](C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)OC ZINC000662284369 414613339 /nfs/dbraw/zinc/61/33/39/414613339.db2.gz VRVKKOKBFVPOBI-QWHCGFSZSA-N 2 0 256.390 1.112 10 0 CDAERP CC[C@@H](c1ccccc1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038030939 174023016 /nfs/dbraw/zinc/02/30/16/174023016.db2.gz NBWLNYUDCJSEBT-HNNXBMFYSA-N 2 0 275.396 1.501 10 0 CDAERP CCCOc1cccc(C[NH2+]CCN2CC[NH+](C)CC2)c1 ZINC000038038365 174039228 /nfs/dbraw/zinc/03/92/28/174039228.db2.gz FKGHASDJMZEUTK-UHFFFAOYSA-N 2 0 291.439 1.812 10 0 CDAERP COc1ccc([C@H](C[NH3+])C[N@@H+]2C[C@H]3COC[C@@]3(C)C2)cc1 ZINC000662310617 414632150 /nfs/dbraw/zinc/63/21/50/414632150.db2.gz LQIFCKQEQWJFPB-HLLBOEOZSA-N 2 0 290.407 1.706 10 0 CDAERP C[NH+](C)CCC[C@H]1C[N@H+](C[C@@H](O)C(C)(C)C)CCO1 ZINC000662322163 414641085 /nfs/dbraw/zinc/64/10/85/414641085.db2.gz FXKGJJRJGWHAGZ-UONOGXRCSA-N 2 0 272.433 1.436 10 0 CDAERP CCCN(Cc1cnn(C)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747664 174392753 /nfs/dbraw/zinc/39/27/53/174392753.db2.gz BUZVSXNPIHFYAH-YIONKMFJSA-N 2 0 262.401 1.915 10 0 CDAERP CC1(C)CC(NC(=O)C[C@@H]2CCC[NH2+]2)CC(C)(C)[NH2+]1 ZINC000042171289 174651434 /nfs/dbraw/zinc/65/14/34/174651434.db2.gz ASLUQGWKTZIKFM-NSHDSACASA-N 2 0 267.417 1.554 10 0 CDAERP CC[C@H]([NH3+])[C@@H](c1ccccn1)N1CC[NH+](CC)CC1 ZINC000043338842 175013153 /nfs/dbraw/zinc/01/31/53/175013153.db2.gz XKFOSMZHFGLAFX-ZFWWWQNUSA-N 2 0 262.401 1.498 10 0 CDAERP C[C@H]([NH3+])[C@H](c1cccnc1)N1CC[NH+](CC2CC2)CC1 ZINC000043347667 175017913 /nfs/dbraw/zinc/01/79/13/175017913.db2.gz BHCCEPRPSUIWRX-XJKSGUPXSA-N 2 0 274.412 1.498 10 0 CDAERP C[C@H]([NH3+])[C@@H](c1cccnc1)N1CCC(C[NH+](C)C)CC1 ZINC000043347934 175018271 /nfs/dbraw/zinc/01/82/71/175018271.db2.gz WEQHQQLMRMBUBZ-BBRMVZONSA-N 2 0 276.428 1.744 10 0 CDAERP CC[C@@H]([NH3+])[C@@H](c1ccncc1)N1CCC([NH+](C)C)CC1 ZINC000043353692 175020874 /nfs/dbraw/zinc/02/08/74/175020874.db2.gz YRZNFKJFXMBVBR-HZPDHXFCSA-N 2 0 276.428 1.886 10 0 CDAERP CC(C)C[N@H+](CCC[NH3+])CC(=O)N1CCCCC1 ZINC000043417468 175038187 /nfs/dbraw/zinc/03/81/87/175038187.db2.gz NPCUTLYYPLKNFD-UHFFFAOYSA-N 2 0 255.406 1.306 10 0 CDAERP C[C@H](C[C@@H](C[NH3+])N1CC[NH+](C)CC1)c1ccccc1 ZINC000043534504 175062776 /nfs/dbraw/zinc/06/27/76/175062776.db2.gz VAEANKJYAMGLCY-ZBFHGGJFSA-N 2 0 261.413 1.755 10 0 CDAERP O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@H]1C[NH2+]CCO1 ZINC000043708576 175101682 /nfs/dbraw/zinc/10/16/82/175101682.db2.gz LCJIFYGTQLMMCF-OAHLLOKOSA-N 2 0 289.379 1.209 10 0 CDAERP C[NH2+][C@H](CN(C)C1CC[NH+](C)CC1)c1ccccc1OC ZINC000043815196 175111827 /nfs/dbraw/zinc/11/18/27/175111827.db2.gz XSLAKYLKIZOEIT-MRXNPFEDSA-N 2 0 291.439 1.982 10 0 CDAERP CC[NH2+][C@H](C)CN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000043817807 175112749 /nfs/dbraw/zinc/11/27/49/175112749.db2.gz BOLRMVUYKILOOR-GDBMZVCRSA-N 2 0 261.413 1.973 10 0 CDAERP CCC[NH2+][C@@H]1CCOC[C@H]1N1CC[NH+](C(C)C)CC1 ZINC000043897220 175120195 /nfs/dbraw/zinc/12/01/95/175120195.db2.gz POTQXSWDWLXJJV-HUUCEWRRSA-N 2 0 269.433 1.170 10 0 CDAERP CC[NH2+][C@@H]1CCOC[C@H]1N1CC[NH+](C(C)(C)C)CC1 ZINC000043965652 175127009 /nfs/dbraw/zinc/12/70/09/175127009.db2.gz ZPESBSKWFIESMM-ZIAGYGMSSA-N 2 0 269.433 1.170 10 0 CDAERP C[NH+](C)CC1CC[NH+]([C@H]2CCCCC[C@H]2O)CC1 ZINC000044169695 175148493 /nfs/dbraw/zinc/14/84/93/175148493.db2.gz SLKQPPNCVXWVIW-LSDHHAIUSA-N 2 0 254.418 1.954 10 0 CDAERP CC[C@@H](C)[NH2+]CC(=O)NCC1CC[NH+](CC)CC1 ZINC000044526774 175191892 /nfs/dbraw/zinc/19/18/92/175191892.db2.gz JGGFAKGPTXNBTB-GFCCVEGCSA-N 2 0 255.406 1.223 10 0 CDAERP C[C@@H]1CCN([C@@H]2CC[N@@H+](C3CC3)C2)CC[C@H](C)[NH2+]1 ZINC000044678652 175228131 /nfs/dbraw/zinc/22/81/31/175228131.db2.gz XZPUPUODRODYNV-VNHYZAJKSA-N 2 0 251.418 1.686 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)C(CC)(CC)C[NH3+])CC1 ZINC000044764205 175248220 /nfs/dbraw/zinc/24/82/20/175248220.db2.gz RKIILTXVIIVOQW-UHFFFAOYSA-N 2 0 269.433 1.694 10 0 CDAERP C[NH+](C)CC1CC[NH+](CC[C@@](C)([NH2+]C2CC2)C(=O)[O-])CC1 ZINC000045277084 175347345 /nfs/dbraw/zinc/34/73/45/175347345.db2.gz AJZZJDSGFZAHHC-MRXNPFEDSA-N 2 0 297.443 1.245 10 0 CDAERP CC[NH2+][C@@](C)(CCC[N@H+]1C[C@H](C)C[C@H](C)C1)C(N)=O ZINC000045373594 175365645 /nfs/dbraw/zinc/36/56/45/175365645.db2.gz BDNBQLFKGWHSCX-GUTXKFCHSA-N 2 0 269.433 1.598 10 0 CDAERP C[NH2+][C@@](C)(CCCC[N@@H+]1CCCC[C@@H]1C)C(N)=O ZINC000045376075 175366366 /nfs/dbraw/zinc/36/63/66/175366366.db2.gz FMMDPPQXLIEUMJ-JSGCOSHPSA-N 2 0 255.406 1.495 10 0 CDAERP CC[NH2+][C@@](C)(CCC[N@@H+]1CCc2ccccc2C1)C(N)=O ZINC000045378794 175368471 /nfs/dbraw/zinc/36/84/71/175368471.db2.gz ZXLWSMGFFRGAPJ-KRWDZBQOSA-N 2 0 289.423 1.678 10 0 CDAERP CCCC[NH+](CCCC)CCC[C@@](C)([NH3+])C(N)=O ZINC000045380610 175369158 /nfs/dbraw/zinc/36/91/58/175369158.db2.gz MAWAVCQBAJFXKE-CQSZACIVSA-N 2 0 257.422 1.872 10 0 CDAERP CCC[NH2+][C@](C)(CCC[N@H+](C)CC(C)C)C(N)=O ZINC000045381029 175370256 /nfs/dbraw/zinc/37/02/56/175370256.db2.gz DLYGHLICVCXWHR-CQSZACIVSA-N 2 0 257.422 1.598 10 0 CDAERP CC[N@H+](CCC[C@](C)([NH2+]C1CC1)C(N)=O)C1CC1 ZINC000045386624 175372995 /nfs/dbraw/zinc/37/29/95/175372995.db2.gz ZZLCUWWYDOPWRC-AWEZNQCLSA-N 2 0 253.390 1.247 10 0 CDAERP CC(C)c1nc(C[NH+]2CCC(C[NH3+])CC2)cc(=O)[nH]1 ZINC000045956830 175388895 /nfs/dbraw/zinc/38/88/95/175388895.db2.gz INGKRARPYMFBBH-UHFFFAOYSA-N 2 0 264.373 1.476 10 0 CDAERP C[C@H](CN1CC[C@H]([NH2+]C2CC2)C1=O)C[NH+]1CCCC1 ZINC000071031225 176022393 /nfs/dbraw/zinc/02/23/93/176022393.db2.gz JHTXBUZVNHSMIQ-JSGCOSHPSA-N 2 0 265.401 1.071 10 0 CDAERP CC[NH2+][C@@H]1CCN([C@H](CC(C)C)C[NH+](C)C)C1=O ZINC000071031999 176022978 /nfs/dbraw/zinc/02/29/78/176022978.db2.gz QRKGJFOROWXKNF-CHWSQXEVSA-N 2 0 255.406 1.173 10 0 CDAERP CCC[NH2+][C@@H]1CCCN([C@@H](C)CC[NH+](C)C)C1=O ZINC000071037237 176025851 /nfs/dbraw/zinc/02/58/51/176025851.db2.gz CLEDYFRMXUKFCC-QWHCGFSZSA-N 2 0 255.406 1.317 10 0 CDAERP CN(C[C@H]1CC[N@H+](C)C1)[C@@H]1COc2ccccc2[C@@H]1[NH3+] ZINC000071188678 176063818 /nfs/dbraw/zinc/06/38/18/176063818.db2.gz IFDYFBMIYVBNDY-BJJXKVORSA-N 2 0 275.396 1.331 10 0 CDAERP C[NH2+]Cc1nc(C(C)C)ncc1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191728 176071413 /nfs/dbraw/zinc/07/14/13/176071413.db2.gz VCSODKBQTABXMP-CYBMUJFWSA-N 2 0 291.443 1.707 10 0 CDAERP C[NH2+]Cc1oc(CN(C)C[C@H]2CC[N@H+](C)C2)cc1C ZINC000071192033 176071476 /nfs/dbraw/zinc/07/14/76/176071476.db2.gz ACGZOUSKFKOUCN-ZDUSSCGKSA-N 2 0 265.401 1.691 10 0 CDAERP CC[N@@H+]1CC[C@H](CN2CCC[C@H]([NH2+]C3CC3)C2)C1 ZINC000071199240 176077056 /nfs/dbraw/zinc/07/70/56/176077056.db2.gz GJZXDIWPUUJSIK-ZFWWWQNUSA-N 2 0 251.418 1.545 10 0 CDAERP C[C@H](C[NH+]1CCCC1)N1CCC[C@H]([NH2+]C2CC2)C1 ZINC000071201239 176077759 /nfs/dbraw/zinc/07/77/59/176077759.db2.gz PYKKLRNBEYWKOJ-HIFRSBDPSA-N 2 0 251.418 1.687 10 0 CDAERP COCCC[N@H+](C)Cc1ccc(F)cc1C(N)=[NH2+] ZINC000071268030 176101708 /nfs/dbraw/zinc/10/17/08/176101708.db2.gz DLBPUTYITKXHLC-UHFFFAOYSA-N 2 0 253.321 1.578 10 0 CDAERP C[NH2+]CCCCCC[N@H+](CCOC)[C@@H](C)COC ZINC000071289728 176110308 /nfs/dbraw/zinc/11/03/08/176110308.db2.gz UGKDGZDGWUIBPV-AWEZNQCLSA-N 2 0 260.422 1.750 10 0 CDAERP CC[NH2+]CCCCCC[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000071289831 176110535 /nfs/dbraw/zinc/11/05/35/176110535.db2.gz ZRVGCOFJSAIZJT-UHFFFAOYSA-N 3 0 284.492 1.336 10 0 CDAERP c1nn2ccccc2c1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000071373094 176138580 /nfs/dbraw/zinc/13/85/80/176138580.db2.gz OALBOXVBPMOXHN-CYBMUJFWSA-N 2 0 270.380 1.908 10 0 CDAERP Cc1ccc([C@H](C[NH3+])N2CC[NH+](CC(C)(C)O)CC2)s1 ZINC000071380191 176144418 /nfs/dbraw/zinc/14/44/18/176144418.db2.gz OCAIQVBHWPFVED-ZDUSSCGKSA-N 2 0 297.468 1.445 10 0 CDAERP CC(C)(O)C[NH+]1CCN([C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000071381594 176145613 /nfs/dbraw/zinc/14/56/13/176145613.db2.gz QPWZXVXEZKKJPE-ZIAGYGMSSA-N 2 0 269.433 1.035 10 0 CDAERP CO[C@H](C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)C1CCC1 ZINC000662266296 423813783 /nfs/dbraw/zinc/81/37/83/423813783.db2.gz LGYZTODSKBPTRH-ZQDZILKHSA-N 2 0 252.402 1.861 10 0 CDAERP C(c1nc2c(s1)C[NH2+]CC2)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000663492806 423883195 /nfs/dbraw/zinc/88/31/95/423883195.db2.gz BLROTRXNYHFTRE-OAHLLOKOSA-N 2 0 292.452 1.364 10 0 CDAERP COc1cccc(C[C@H](C)NC(=O)[C@@H](N)CC[NH+](C)C)c1 ZINC000653090056 423917143 /nfs/dbraw/zinc/91/71/43/423917143.db2.gz CYBYXBBJBURZAD-WFASDCNBSA-N 2 0 293.411 1.021 10 0 CDAERP CCN(C(=O)N[C@H]1CCC[NH+](C)C1)[C@@H]1CC[N@H+](CC)C1 ZINC000663775600 424001547 /nfs/dbraw/zinc/00/15/47/424001547.db2.gz ZTQXCABMWUDEQL-UONOGXRCSA-N 2 0 282.432 1.206 10 0 CDAERP CC(C)[NH+](CCCNC(=O)NCCC1(C[NH3+])CC1)C(C)C ZINC000652162318 423980953 /nfs/dbraw/zinc/98/09/53/423980953.db2.gz MHVCHVHKEZEULB-UHFFFAOYSA-N 2 0 298.475 1.924 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000652224663 424083849 /nfs/dbraw/zinc/08/38/49/424083849.db2.gz DZSWFPDIJBVNRV-AWEZNQCLSA-N 2 0 298.475 1.733 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000652225009 424084953 /nfs/dbraw/zinc/08/49/53/424084953.db2.gz NBXYWPOWYPWMOI-UONOGXRCSA-N 2 0 284.448 1.343 10 0 CDAERP CC[NH2+]CCNC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000418318253 424031524 /nfs/dbraw/zinc/03/15/24/424031524.db2.gz OSHSOUODYDVLAI-UHFFFAOYSA-N 2 0 294.443 1.049 10 0 CDAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)NCCC3(C[NH3+])CC3)CC[C@H]21 ZINC000652239323 424120762 /nfs/dbraw/zinc/12/07/62/424120762.db2.gz KEOXVXLXAGMTNE-ZIAGYGMSSA-N 2 0 294.443 1.241 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC[C@]2(O)CCCOC2)[C@@H]2CCC[C@H]21 ZINC000652326891 424243168 /nfs/dbraw/zinc/24/31/68/424243168.db2.gz OQBAZZCERIJGHE-CAOSSQGBSA-N 2 0 282.428 1.380 10 0 CDAERP Cc1cc(C[N@H+]2CC[C@@H](c3nccn3C)C2)ncn1 ZINC000653590648 424306008 /nfs/dbraw/zinc/30/60/08/424306008.db2.gz RQTPURMWABXJEP-GFCCVEGCSA-N 2 0 257.341 1.508 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000664719076 424325605 /nfs/dbraw/zinc/32/56/05/424325605.db2.gz MSMGLUBKHYQVKA-LBPRGKRZSA-N 2 0 255.406 1.223 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000659619920 424415778 /nfs/dbraw/zinc/41/57/78/424415778.db2.gz DVOZZMBAJGTJAW-CHWSQXEVSA-N 2 0 284.448 1.532 10 0 CDAERP OCC1(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000652037322 424618173 /nfs/dbraw/zinc/61/81/73/424618173.db2.gz MFYACDYPTAXISI-KBPBESRZSA-N 2 0 252.402 1.756 10 0 CDAERP [NH3+]C[C@H](NC(=O)[C@@H]1CCCCCC[C@H]1[NH3+])C(F)(F)F ZINC000655505354 424667863 /nfs/dbraw/zinc/66/78/63/424667863.db2.gz XGNVJUWFQKFPEP-BBBLOLIVSA-N 2 0 281.322 1.290 10 0 CDAERP C[C@]1(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])COc2ccccc2O1 ZINC000530208657 271151917 /nfs/dbraw/zinc/15/19/17/271151917.db2.gz GOBIEUQVMVTGGC-WWGRRREGSA-N 2 0 276.380 1.934 10 0 CDAERP FC1(F)CC12C[C@H]1CC[C@@H](C2)[N@H+]1CCN1CC[NH2+]CC1 ZINC000530223003 271165516 /nfs/dbraw/zinc/16/55/16/271165516.db2.gz KWCDPIGASXVJST-PBWFPOADSA-N 2 0 285.382 1.544 10 0 CDAERP CC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001667634535 1173303838 /nfs/dbraw/zinc/30/38/38/1173303838.db2.gz PKQLJIKGJKHTLS-KGLIPLIRSA-N 2 0 267.417 1.413 10 0 CDAERP CC[C@@H](C(=O)NC1CC([NH+]2CCCCC2)C1)[NH+](C)C ZINC000365433438 276514998 /nfs/dbraw/zinc/51/49/98/276514998.db2.gz XBBDTDUALUMHSY-RUXDESIVSA-N 2 0 267.417 1.460 10 0 CDAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000355410826 277220575 /nfs/dbraw/zinc/22/05/75/277220575.db2.gz LRKVPZKGSYONKF-SOUVJXGZSA-N 2 0 297.443 1.086 10 0 CDAERP COC(=O)[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C[C@H]1C ZINC000261996943 277352415 /nfs/dbraw/zinc/35/24/15/277352415.db2.gz SXEJWCQEGVAOJR-DGCLKSJQSA-N 2 0 254.374 1.117 10 0 CDAERP C[C@@H]1C[N@H+](C)C[C@@H]1NCC[NH+](C)C1CCCCC1 ZINC000343784103 288090536 /nfs/dbraw/zinc/09/05/36/288090536.db2.gz PYMUKAWHVYENPM-HIFRSBDPSA-N 2 0 253.434 1.791 10 0 CDAERP CC[NH+](CC)CC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000357829006 279089491 /nfs/dbraw/zinc/08/94/91/279089491.db2.gz FBDUCWPOQKWDCC-CYBMUJFWSA-N 2 0 255.406 1.319 10 0 CDAERP CC(C)C[C@H](CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1)[NH+](C)C ZINC000227808193 279159440 /nfs/dbraw/zinc/15/94/40/279159440.db2.gz QDBNIKKXTPEJLK-JHJVBQTASA-N 2 0 255.406 1.206 10 0 CDAERP CC(C)C[C@H]([NH3+])C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000037826170 279175280 /nfs/dbraw/zinc/17/52/80/279175280.db2.gz VUZNHZMNHUTTQP-HNNXBMFYSA-N 2 0 281.444 1.694 10 0 CDAERP CC[NH+]1CCC(CC[NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)CC1 ZINC000422792735 279256969 /nfs/dbraw/zinc/25/69/69/279256969.db2.gz WFMOMSMXHQTBAV-IRXDYDNUSA-N 2 0 295.471 1.465 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCC[NH+]1C ZINC000111841549 279272064 /nfs/dbraw/zinc/27/20/64/279272064.db2.gz ZIGGAUKNTKDOJO-UONOGXRCSA-N 2 0 282.432 1.254 10 0 CDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC1CC[NH2+]CC1 ZINC000261550220 279283643 /nfs/dbraw/zinc/28/36/43/279283643.db2.gz PJYYVVKKUBLNCN-CQSZACIVSA-N 2 0 261.413 1.849 10 0 CDAERP CC[C@@H](C(=O)NCC[N@@H+]1CCCC[C@@H]1C)[NH+](C)C ZINC000126410869 280076093 /nfs/dbraw/zinc/07/60/93/280076093.db2.gz UBSJBWBMOBTVHA-STQMWFEESA-N 2 0 255.406 1.317 10 0 CDAERP CC(C)[C@H](C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C)[NH+](C)C ZINC000341400033 280171233 /nfs/dbraw/zinc/17/12/33/280171233.db2.gz AHYKLHZSUQYEFC-RBSFLKMASA-N 2 0 283.460 1.952 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCC[NH+](CC)C1 ZINC000246451209 280280933 /nfs/dbraw/zinc/28/09/33/280280933.db2.gz UPYQFNKEDDRDDQ-ZIAGYGMSSA-N 2 0 282.432 1.254 10 0 CDAERP CCC[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001668469315 1173417321 /nfs/dbraw/zinc/41/73/21/1173417321.db2.gz RYIWNEIYDPXQLT-CYBMUJFWSA-N 2 0 255.406 1.319 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC000520818617 281057666 /nfs/dbraw/zinc/05/76/66/281057666.db2.gz VAQSZSUMKDEYBZ-RKDXNWHRSA-N 2 0 255.387 1.275 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261720853 288295808 /nfs/dbraw/zinc/29/58/08/288295808.db2.gz KAKFQXGDQOYRJY-CBBWQLFWSA-N 2 0 279.428 1.589 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCCCCC[NH3+] ZINC000251550558 288308414 /nfs/dbraw/zinc/30/84/14/288308414.db2.gz BFAXRZWLNIHSCO-KGLIPLIRSA-N 2 0 267.417 1.591 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC2(CCOCC2)CC[C@H]1CO ZINC000528643617 281264986 /nfs/dbraw/zinc/26/49/86/281264986.db2.gz GXGYXPGKVBCMEC-CVEARBPZSA-N 2 0 296.455 1.724 10 0 CDAERP C[NH+](C)C1(CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CCCC1 ZINC000252947863 289054822 /nfs/dbraw/zinc/05/48/22/289054822.db2.gz AQLMUQOVMFVZPW-KFWWJZLASA-N 2 0 293.455 1.898 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000333381214 289301953 /nfs/dbraw/zinc/30/19/53/289301953.db2.gz NQCNMVKEKQOIMZ-HZSPNIEDSA-N 2 0 282.432 1.301 10 0 CDAERP Cc1n[nH]c(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)n1 ZINC000552280382 290063370 /nfs/dbraw/zinc/06/33/70/290063370.db2.gz FOWSWQRZVUGBFH-XQQFMLRXSA-N 2 0 263.389 1.118 10 0 CDAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C[NH+]1CCCC1 ZINC000553334638 290113503 /nfs/dbraw/zinc/11/35/03/290113503.db2.gz XLCNAAQGURGBNQ-KGLIPLIRSA-N 2 0 267.417 1.176 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2(C)CC[NH2+]CC2)[C@@H]2CCC[C@@H]21 ZINC000423322968 290215661 /nfs/dbraw/zinc/21/56/61/290215661.db2.gz HSOORUCSMLLSQO-KKUMJFAQSA-N 3 0 265.445 1.839 10 0 CDAERP C[C@H]1CCN(C(=O)c2ccc(C[NH3+])cc2)C[C@@H]1C[NH3+] ZINC000334961869 290563046 /nfs/dbraw/zinc/56/30/46/290563046.db2.gz OTVGZRWDWZWLQG-FZMZJTMJSA-N 2 0 261.369 1.202 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000561171802 293057506 /nfs/dbraw/zinc/05/75/06/293057506.db2.gz QJQWIYXENIDRRJ-HZSPNIEDSA-N 2 0 282.432 1.301 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000234787799 293095821 /nfs/dbraw/zinc/09/58/21/293095821.db2.gz UHTSQCQIPGIXBA-CABCVRRESA-N 3 0 271.449 1.452 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000562814627 293203651 /nfs/dbraw/zinc/20/36/51/293203651.db2.gz OLKASDOSEWUMSL-SQWLQELKSA-N 2 0 294.443 1.289 10 0 CDAERP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H]2CCC[C@H]2C2CC2)CC1 ZINC000562996404 293238395 /nfs/dbraw/zinc/23/83/95/293238395.db2.gz BOZUTLXXJRWQSA-ZACQAIPSSA-N 2 0 295.471 1.011 10 0 CDAERP C[N@@H+]1CCN(CC[NH2+][C@H]2CCCC23CC3)CC1(C)C ZINC000568276505 294007798 /nfs/dbraw/zinc/00/77/98/294007798.db2.gz MFPRCMNUZDJLJV-AWEZNQCLSA-N 2 0 265.445 1.935 10 0 CDAERP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000570810408 294313466 /nfs/dbraw/zinc/31/34/66/294313466.db2.gz NPBGDFQTFZOHEK-SBEAFCBVSA-N 2 0 265.401 1.104 10 0 CDAERP [NH3+]CC12CCC(CC1)CN2C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000571221285 294391923 /nfs/dbraw/zinc/39/19/23/294391923.db2.gz DZNDPFPAJKOKLU-CLPSQLOGSA-N 2 0 291.439 1.637 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000371230827 295277754 /nfs/dbraw/zinc/27/77/54/295277754.db2.gz NJLNUZBRFXBTSZ-HZPDHXFCSA-N 2 0 287.407 1.750 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000237942423 295314248 /nfs/dbraw/zinc/31/42/48/295314248.db2.gz CDHWWXDRFKCWHZ-RRFJBIMHSA-N 2 0 279.428 1.448 10 0 CDAERP CC(C)[NH2+]C[C@@H](C)NC(=O)[C@H](C)Cc1c[nH]cn1 ZINC001669421653 1173548471 /nfs/dbraw/zinc/54/84/71/1173548471.db2.gz SXBIGZUJKOZLLC-GHMZBOCLSA-N 2 0 252.362 1.091 10 0 CDAERP CCOCC[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001669440307 1173550524 /nfs/dbraw/zinc/55/05/24/1173550524.db2.gz UKNZDYMNRAZKNO-CQSZACIVSA-N 2 0 299.459 1.238 10 0 CDAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1COCC1(C)C ZINC000423150326 302588703 /nfs/dbraw/zinc/58/87/03/302588703.db2.gz BOPZFAOQYCMNPT-RISCZKNCSA-N 2 0 263.385 1.924 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)cc1 ZINC000334960614 303431628 /nfs/dbraw/zinc/43/16/28/303431628.db2.gz JSHYXRORUPIYIA-QGZVFWFLSA-N 2 0 295.386 1.932 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CC[C@H](C)F)[NH+](C)C ZINC001669665303 1173583564 /nfs/dbraw/zinc/58/35/64/1173583564.db2.gz USOYLUUXBFFDJS-SRVKXCTJSA-N 2 0 261.385 1.169 10 0 CDAERP CCCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001671692685 1173703893 /nfs/dbraw/zinc/70/38/93/1173703893.db2.gz CTMDKKJGEGIKFI-GOEBONIOSA-N 2 0 281.444 1.709 10 0 CDAERP CCCN(C(=O)[C@H]1CC[NH2+][C@@H](C)C1)C1CC[NH2+]CC1 ZINC000576582052 317166432 /nfs/dbraw/zinc/16/64/32/317166432.db2.gz WUSKBUYGOMJKQE-STQMWFEESA-N 2 0 267.417 1.365 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000577077005 317262566 /nfs/dbraw/zinc/26/25/66/317262566.db2.gz MPQKBXOYSVALRT-UONOGXRCSA-N 2 0 267.417 1.271 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(-n2cncn2)c(F)c1 ZINC000577720439 317387551 /nfs/dbraw/zinc/38/75/51/317387551.db2.gz FSVAQOCJRPQUPZ-RISCZKNCSA-N 2 0 289.358 1.494 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000578235541 317498491 /nfs/dbraw/zinc/49/84/91/317498491.db2.gz KBGXDGQKTWGAKD-ZFDZMSFRSA-N 2 0 253.390 1.103 10 0 CDAERP CN(CC1CC1)C(=O)C[N@H+](C)CCCn1ccnc1 ZINC000181065023 323226772 /nfs/dbraw/zinc/22/67/72/323226772.db2.gz FMRMOJMHDDQHQN-UHFFFAOYSA-N 2 0 264.373 1.073 10 0 CDAERP C[C@@H](CNC(=O)N(C)CCC[NH+](C)C)C[NH+]1CCCCC1 ZINC000185575496 323392158 /nfs/dbraw/zinc/39/21/58/323392158.db2.gz ZBTZQNDAMWXOPR-HNNXBMFYSA-N 2 0 298.475 1.702 10 0 CDAERP CN(C[C@H]1CCC[N@@H+]1C)C(=O)CCN(C)c1cc[nH+]cc1 ZINC000578737914 324008883 /nfs/dbraw/zinc/00/88/83/324008883.db2.gz UDEJCSPAGBBHGV-OAHLLOKOSA-N 2 0 290.411 1.461 10 0 CDAERP O=C(NCc1ccc2c[nH+]cn2c1)[C@H]1CCc2cncn2C1 ZINC000579842899 324298543 /nfs/dbraw/zinc/29/85/43/324298543.db2.gz RIEYIVADIUDGQL-ZDUSSCGKSA-N 2 0 295.346 1.410 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN(c2ncccc2Cl)C1 ZINC000579944657 324321898 /nfs/dbraw/zinc/32/18/98/324321898.db2.gz MWLCOSXBVHLOPE-RTXFEEFZSA-N 2 0 280.803 1.783 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC000580092477 324369379 /nfs/dbraw/zinc/36/93/79/324369379.db2.gz HVSIEIZYXIRGJU-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP COCC[NH+]1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000584297090 327228031 /nfs/dbraw/zinc/22/80/31/327228031.db2.gz VDFXRBWLMRTOBW-UHFFFAOYSA-N 2 0 289.423 1.096 10 0 CDAERP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CO[C@@H]3C[NH+](C)C)C2)o1 ZINC000299843735 333187906 /nfs/dbraw/zinc/18/79/06/333187906.db2.gz XFNHQIQBYLBFQW-FVQBIDKESA-N 2 0 278.396 1.987 10 0 CDAERP CC(C)C[NH2+][C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001731592077 1159312576 /nfs/dbraw/zinc/31/25/76/1159312576.db2.gz KLXIXHAZOACBHQ-OCCSQVGLSA-N 2 0 267.417 1.079 10 0 CDAERP C[C@@H](CC[NH2+]C/C(Cl)=C\Cl)NC(=O)CC[NH+](C)C ZINC001699130310 1176107126 /nfs/dbraw/zinc/10/71/26/1176107126.db2.gz AZPLJVKULTXIIC-NGPGYTDTSA-N 2 0 296.242 1.742 10 0 CDAERP CN(C(=O)C[C@@H]([NH3+])C(C)(C)C)[C@@H]1C[NH+]2CCC1CC2 ZINC000394119139 1159537717 /nfs/dbraw/zinc/53/77/17/1159537717.db2.gz VDPGJOLWCAFTCN-CHWSQXEVSA-N 2 0 267.417 1.303 10 0 CDAERP CC[C@H](C)C[NH+]1CC(NC(=O)CC[N@H+](C)CC)C1 ZINC001267664379 1159560925 /nfs/dbraw/zinc/56/09/25/1159560925.db2.gz FUOPWQZFPYWKRR-LBPRGKRZSA-N 2 0 255.406 1.175 10 0 CDAERP CC[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CCCF ZINC001267819735 1159605608 /nfs/dbraw/zinc/60/56/08/1159605608.db2.gz HMHCIVSMVPPLHU-STQMWFEESA-N 2 0 273.396 1.172 10 0 CDAERP CCN(CC[NH2+]C[C@@H](C)OC)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001268448788 1159938248 /nfs/dbraw/zinc/93/82/48/1159938248.db2.gz BKLVOTIKHQTIPU-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)=CC[NH2+]C1(CNC(=O)CCC[NH+](C)C)CC1 ZINC001670842913 1160571452 /nfs/dbraw/zinc/57/14/52/1160571452.db2.gz MLICAUTXVTVDLC-UHFFFAOYSA-N 2 0 267.417 1.533 10 0 CDAERP CC1CC[NH+](CCCNC(=O)CC2([NH3+])CC2)CC1 ZINC000398084834 482242823 /nfs/dbraw/zinc/24/28/23/482242823.db2.gz PJFOQHMYEGXCDH-UHFFFAOYSA-N 2 0 253.390 1.106 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000662620908 482408747 /nfs/dbraw/zinc/40/87/47/482408747.db2.gz SGSNROQUSMGWTA-CHWSQXEVSA-N 2 0 267.417 1.508 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCC[NH+](C)C2)C[N@@H+]1C1CC1 ZINC000674700549 482564756 /nfs/dbraw/zinc/56/47/56/482564756.db2.gz UYPFPQMUIJHKTN-JHJVBQTASA-N 2 0 280.416 1.005 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000417301901 482580887 /nfs/dbraw/zinc/58/08/87/482580887.db2.gz QFEKBCYTDXZILS-UONOGXRCSA-N 2 0 284.448 1.406 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCn2cncn2)[C@@H]2CCC[C@H]21 ZINC000671756482 482692862 /nfs/dbraw/zinc/69/28/62/482692862.db2.gz DJEQMVVROGZZPU-MELADBBJSA-N 2 0 263.389 1.131 10 0 CDAERP O=C(CCC1CC[NH2+]CC1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334353507 482719957 /nfs/dbraw/zinc/71/99/57/482719957.db2.gz YIHDKTVFJFBFAG-INIZCTEOSA-N 2 0 279.428 1.368 10 0 CDAERP C[NH+]1CCC(N2CC[C@H]([NH2+]CC3(F)CC3)C2)CC1 ZINC000684378691 482782205 /nfs/dbraw/zinc/78/22/05/482782205.db2.gz HUVZYTZEKPNOMF-LBPRGKRZSA-N 2 0 255.381 1.247 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)Cc1ccccn1 ZINC000656202071 482790553 /nfs/dbraw/zinc/79/05/53/482790553.db2.gz XLUPMEKYRCSIFC-JSGCOSHPSA-N 2 0 251.374 1.356 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH3+])C1 ZINC000389850364 482859432 /nfs/dbraw/zinc/85/94/32/482859432.db2.gz BOFGQBNZFAQNAN-AWEZNQCLSA-N 2 0 275.396 1.402 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)CN1C[C@@H]2CCCC[NH+]2C[C@H]1C ZINC000380714752 482870848 /nfs/dbraw/zinc/87/08/48/482870848.db2.gz PXIDZIZQYUBUKC-PMPSAXMXSA-N 2 0 283.460 1.246 10 0 CDAERP CC[N@H+](C)[C@H](C(=O)NC1CC([NH+](C)C)C1)c1ccccc1 ZINC000670401364 482888442 /nfs/dbraw/zinc/88/84/42/482888442.db2.gz DELMFCJANYOAPC-GPANFISMSA-N 2 0 289.423 1.888 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000136460335 482919300 /nfs/dbraw/zinc/91/93/00/482919300.db2.gz OADOPKVMYPBOBC-KBPBESRZSA-N 2 0 267.417 1.447 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000251868829 483084459 /nfs/dbraw/zinc/08/44/59/483084459.db2.gz TWMGQTYDOMZBHJ-BARDWOONSA-N 2 0 279.428 1.447 10 0 CDAERP COc1ccnc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1OC ZINC000314910257 483303745 /nfs/dbraw/zinc/30/37/45/483303745.db2.gz LDMRPYBDSFMJCY-BETUJISGSA-N 2 0 291.395 1.530 10 0 CDAERP C[NH+](C)CCn1cc(NC(=O)CC2CC[NH+](C)CC2)cn1 ZINC000680357777 483593011 /nfs/dbraw/zinc/59/30/11/483593011.db2.gz ZOXZZWHIFHXJDF-UHFFFAOYSA-N 2 0 293.415 1.115 10 0 CDAERP C[C@H](CC[NH2+]CCOC1CCC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001482816762 1160637406 /nfs/dbraw/zinc/63/74/06/1160637406.db2.gz JWFXTDWIRPYXOJ-UKRRQHHQSA-N 2 0 297.443 1.134 10 0 CDAERP CC(C)[NH2+]C[C@H]1CC[C@H](COCCC[NH+](C)C)O1 ZINC000052672640 519725783 /nfs/dbraw/zinc/72/57/83/519725783.db2.gz CGPZDRTXTVILNE-ZIAGYGMSSA-N 2 0 258.406 1.500 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000055090089 519793319 /nfs/dbraw/zinc/79/33/19/519793319.db2.gz NCCKWBIJQPTXCD-RWMBFGLXSA-N 2 0 255.406 1.206 10 0 CDAERP CC(C)[C@@H](CN(C)C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000049197556 519793774 /nfs/dbraw/zinc/79/37/74/519793774.db2.gz WATJRQNLENDMTI-DZGCQCFKSA-N 2 0 255.450 1.893 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000236771520 519842829 /nfs/dbraw/zinc/84/28/29/519842829.db2.gz ZLZAGPTXEJUQFQ-KBPBESRZSA-N 2 0 267.417 1.352 10 0 CDAERP CCC[NH2+][C@](C)(CO)C[C@H](C)N1CCC[C@@H]1C[NH+](C)C ZINC000070335121 520107061 /nfs/dbraw/zinc/10/70/61/520107061.db2.gz ULEYWGSNLZIZQE-XHSDSOJGSA-N 2 0 285.476 1.542 10 0 CDAERP CCO[C@@H](C[NH3+])CC[N@@H+]1CCc2sccc2C1 ZINC000062740865 520308491 /nfs/dbraw/zinc/30/84/91/520308491.db2.gz OSEJPBMYUJVCFB-GFCCVEGCSA-N 2 0 254.399 1.860 10 0 CDAERP CCCC[N@H+](CCO)CC1(C[NH2+]CC)CCOCC1 ZINC000052182678 520522983 /nfs/dbraw/zinc/52/29/83/520522983.db2.gz XJALGIGTWHZUAF-UHFFFAOYSA-N 2 0 272.433 1.487 10 0 CDAERP CC(C)C[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001485349613 1161276405 /nfs/dbraw/zinc/27/64/05/1161276405.db2.gz IDPIIWWTBASYLB-ZIAGYGMSSA-N 2 0 269.433 1.421 10 0 CDAERP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@@H](CC[NH2+]CCF)C1 ZINC001672795607 1161399985 /nfs/dbraw/zinc/39/99/85/1161399985.db2.gz GBZFEJZUSGOIHC-UKRRQHHQSA-N 2 0 297.418 1.126 10 0 CDAERP CCOC(=O)[C@](C)(N)C[C@@H](C)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000068646405 521326269 /nfs/dbraw/zinc/32/62/69/521326269.db2.gz GRQMRFKNBVHRQU-CZUORRHYSA-N 2 0 299.459 1.319 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+]CCc1ccns1 ZINC001714798572 1179402552 /nfs/dbraw/zinc/40/25/52/1179402552.db2.gz VCUDFIJFTBLTCQ-UHFFFAOYSA-N 2 0 298.456 1.074 10 0 CDAERP CC(C)CCC[NH2+][C@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001725522405 1182034575 /nfs/dbraw/zinc/03/45/75/1182034575.db2.gz SOMZLGLZJVTISP-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[NH2+]CC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001732722525 1183099452 /nfs/dbraw/zinc/09/94/52/1183099452.db2.gz VYOLTDPHAFWKPG-ZDUSSCGKSA-N 2 0 269.433 1.755 10 0 CDAERP C(C[NH+]1CCCC1)OC[C@H]1CC[C@@H](C[NH2+]C2CC2)O1 ZINC000052670479 518385282 /nfs/dbraw/zinc/38/52/82/518385282.db2.gz DEOIRFPTEIJTAE-LSDHHAIUSA-N 2 0 268.401 1.398 10 0 CDAERP CC(C)(C)[NH+]1CCN(Cc2ccoc2C[NH3+])CC1 ZINC000052571636 518713455 /nfs/dbraw/zinc/71/34/55/518713455.db2.gz CSZQDROXWXBKLQ-UHFFFAOYSA-N 2 0 251.374 1.654 10 0 CDAERP CC(C)[NH+]1CCN(C(=O)CC2CCC([NH3+])CC2)CC1 ZINC000055129221 519678967 /nfs/dbraw/zinc/67/89/67/519678967.db2.gz DUTKSSHSEPPULK-UHFFFAOYSA-N 2 0 267.417 1.447 10 0 CDAERP CC(C)[NH2+]C[C@H](C)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515257 519724272 /nfs/dbraw/zinc/72/42/72/519724272.db2.gz SMTIZYSJKRFVQR-AWEZNQCLSA-N 3 0 255.450 1.894 10 0 CDAERP CC(C)[NH2+]C[C@H]1CC[C@H](C[N@@H+]2CCCSCC2)O1 ZINC000052371154 519725732 /nfs/dbraw/zinc/72/57/32/519725732.db2.gz RPMGUSVGZUAHBU-ZIAGYGMSSA-N 2 0 272.458 1.971 10 0 CDAERP CC(C)C[NH+]1CCN(C[C@H](C)C[NH2+]C2CC2)CC1 ZINC000055083046 519726517 /nfs/dbraw/zinc/72/65/17/519726517.db2.gz RZMIELJTPYFBHO-CQSZACIVSA-N 2 0 253.434 1.648 10 0 CDAERP CC(C)C[NH+]1CCN([C@H](c2cnn(C)c2)[C@H](C)[NH3+])CC1 ZINC000055077024 519728551 /nfs/dbraw/zinc/72/85/51/519728551.db2.gz OFYCIKGWTKXYQH-ZFWWWQNUSA-N 2 0 279.432 1.082 10 0 CDAERP CC(C)C[NH2+]CC1(C[N@@H+]2CCC[C@@H]2CO)CCOCC1 ZINC000052183331 519742736 /nfs/dbraw/zinc/74/27/36/519742736.db2.gz RPJSVXNPKTYEEI-OAHLLOKOSA-N 2 0 284.444 1.486 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000049220785 519793375 /nfs/dbraw/zinc/79/33/75/519793375.db2.gz AIQGKBNIPXNMHG-ZQDZILKHSA-N 2 0 281.444 1.610 10 0 CDAERP CCOCCC[NH2+]C[C@@H](C)N1CCC([NH+](C)C)CC1 ZINC000053491253 519897122 /nfs/dbraw/zinc/89/71/22/519897122.db2.gz QPPBSRUAQMTNMT-CQSZACIVSA-N 2 0 271.449 1.417 10 0 CDAERP CC[NH2+]CC1(C[N@@H+]2CCC[C@H]2CCCO)CCOCC1 ZINC000052763421 519913308 /nfs/dbraw/zinc/91/33/08/519913308.db2.gz XEDYKJUAFUZJCJ-HNNXBMFYSA-N 2 0 284.444 1.630 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000061266049 519933498 /nfs/dbraw/zinc/93/34/98/519933498.db2.gz MYZWFWHYZSHYJS-CQSZACIVSA-N 2 0 283.460 1.811 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC000061267650 519934356 /nfs/dbraw/zinc/93/43/56/519934356.db2.gz AEABRBISPFMEAK-GFCCVEGCSA-N 2 0 255.406 1.175 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)NCc1ccccc1C[NH+](C)C ZINC000061267459 519935892 /nfs/dbraw/zinc/93/58/92/519935892.db2.gz XCXSLNBKHQAJGY-CYBMUJFWSA-N 2 0 277.412 1.610 10 0 CDAERP CC[NH2+]C[C@@H](C)N1CC[NH+](Cc2ccccc2)CC1 ZINC000052417080 519943128 /nfs/dbraw/zinc/94/31/28/519943128.db2.gz XWPCLXTYQQKEOA-OAHLLOKOSA-N 2 0 261.413 1.802 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)Nc1cnn(CC[NH+](CC)CC)c1 ZINC000061235007 519943250 /nfs/dbraw/zinc/94/32/50/519943250.db2.gz PKRPBJJAAQTTKW-CYBMUJFWSA-N 2 0 295.431 1.409 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000061230461 519964628 /nfs/dbraw/zinc/96/46/28/519964628.db2.gz OFJWLAZWPBJXBO-STQMWFEESA-N 2 0 257.422 1.325 10 0 CDAERP CCC[NH2+][C@H](C)CCN1CC[C@H]([NH+]2CCCC2)C1 ZINC000062979365 520062298 /nfs/dbraw/zinc/06/22/98/520062298.db2.gz BBQOOBMWEHUAQT-CABCVRRESA-N 2 0 253.434 1.935 10 0 CDAERP CC[NH2+][C@H]1CCC[C@@H]1CN1CC[NH+](CC2CC2)CC1 ZINC000053880878 520214338 /nfs/dbraw/zinc/21/43/38/520214338.db2.gz YSFVUPVKQLSPMY-CVEARBPZSA-N 2 0 265.445 1.792 10 0 CDAERP CCO[C@H]1CCC[N@H+](CCCC[NH2+]CCOC)C1 ZINC000053499986 520527220 /nfs/dbraw/zinc/52/72/20/520527220.db2.gz IAWIDVJBIIKUGI-AWEZNQCLSA-N 2 0 258.406 1.504 10 0 CDAERP CC[NH+](CC)CCNC(=O)C[C@H]1CCC[C@H]([NH3+])C1 ZINC000055123009 520670440 /nfs/dbraw/zinc/67/04/40/520670440.db2.gz RKAMWEDEGQGHAU-STQMWFEESA-N 2 0 255.406 1.352 10 0 CDAERP CCC[C@@]1(CN2CC[NH+](C(C)C)CC2)CC[NH2+]C1 ZINC000062911268 520959489 /nfs/dbraw/zinc/95/94/89/520959489.db2.gz OSQISKFMGWINLE-OAHLLOKOSA-N 2 0 253.434 1.792 10 0 CDAERP CC[N@H+](CCC[C@@H]1CCC[NH2+]1)CC(=O)NC(C)C ZINC000052764478 521041680 /nfs/dbraw/zinc/04/16/80/521041680.db2.gz NKAUFPKTXPCYRS-ZDUSSCGKSA-N 2 0 255.406 1.365 10 0 CDAERP CCC(CC)[C@H](CNC(=O)[C@@H](C)[NH3+])[NH+]1CCCC1 ZINC000164390960 521616670 /nfs/dbraw/zinc/61/66/70/521616670.db2.gz CKQNNZCDIZGXHC-YPMHNXCESA-N 2 0 255.406 1.350 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)C1(C[NH3+])CCCCCC1 ZINC000061644059 521829654 /nfs/dbraw/zinc/82/96/54/521829654.db2.gz AUZOVZWBQMSLGP-AWEZNQCLSA-N 2 0 281.444 1.838 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1CC[NH2+]Cc1ccccn1 ZINC000061655228 521837880 /nfs/dbraw/zinc/83/78/80/521837880.db2.gz CTBDDFNYFSGVQB-HNNXBMFYSA-N 2 0 262.401 1.197 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000061645142 521862032 /nfs/dbraw/zinc/86/20/32/521862032.db2.gz BRYJAQCMWYIBMO-UONOGXRCSA-N 2 0 267.417 1.461 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)c1c[nH+]c(NN)c(Cl)c1 ZINC000061656117 521865121 /nfs/dbraw/zinc/86/51/21/521865121.db2.gz MQJAVSFQBHIRKU-SNVBAGLBSA-N 2 0 297.790 1.187 10 0 CDAERP CN(C)C[C@H]1CCC[N@@H+]1CCC[C@@H]1CCCC[NH2+]1 ZINC000061652454 521869247 /nfs/dbraw/zinc/86/92/47/521869247.db2.gz OYPQXZHOYJUXTB-LSDHHAIUSA-N 2 0 253.434 1.935 10 0 CDAERP C[NH2+]CCC[C@H](C)[NH+]1CCN(c2nccs2)CC1 ZINC000052417683 522000457 /nfs/dbraw/zinc/00/04/57/522000457.db2.gz MPTZTRQRPIGKQO-LBPRGKRZSA-N 2 0 268.430 1.653 10 0 CDAERP CC[C@@H](C)C[C@](CC)(C[NH3+])N1CCN(CC[NH+](C)C)CC1 ZINC000061643204 522027752 /nfs/dbraw/zinc/02/77/52/522027752.db2.gz HAIIGPMBMILQHB-IAGOWNOFSA-N 2 0 298.519 1.709 10 0 CDAERP C[NH2+]C[C@H]1CC[C@H](C[N@H+](C)Cc2ccccc2OC)O1 ZINC000052542301 522096412 /nfs/dbraw/zinc/09/64/12/522096412.db2.gz CLAFCAIRKBQKHO-HUUCEWRRSA-N 2 0 278.396 1.894 10 0 CDAERP C[NH2+]Cc1ccc(OCC[NH+]2CCC(OC)CC2)cc1 ZINC000052455276 522122447 /nfs/dbraw/zinc/12/24/47/522122447.db2.gz KVNJNZGHWCZEQR-UHFFFAOYSA-N 2 0 278.396 1.896 10 0 CDAERP CC[C@H](C[NH2+]C(C)(C)C)N1CCN(CC[NH+](C)C)CC1 ZINC000061654995 522189499 /nfs/dbraw/zinc/18/94/99/522189499.db2.gz RJPJJEGZHMLDCA-OAHLLOKOSA-N 2 0 284.492 1.332 10 0 CDAERP CC[C@H]([NH3+])[C@H](c1ccco1)N1CCN(CC[NH+](C)C)CC1 ZINC000061642382 522343333 /nfs/dbraw/zinc/34/33/33/522343333.db2.gz KFSKVTQKAZFIKN-GOEBONIOSA-N 2 0 294.443 1.237 10 0 CDAERP CN(CC[NH+]1CCCC1)C[C@@](C)([NH3+])c1ccccc1 ZINC000063054417 522828641 /nfs/dbraw/zinc/82/86/41/522828641.db2.gz RMBLOXXNQQLQAK-MRXNPFEDSA-N 2 0 261.413 1.888 10 0 CDAERP C[N@H+](Cc1ccc(Cl)cc1)CC1(O)CC[NH2+]CC1 ZINC000051016329 523227097 /nfs/dbraw/zinc/22/70/97/523227097.db2.gz VURMLFSDNYDPFC-UHFFFAOYSA-N 2 0 268.788 1.886 10 0 CDAERP CC[C@@H]1CC[C@H]([NH3+])[C@H](N2CCC[C@@H]2C[NH+](C)C)C1 ZINC000061643480 523367836 /nfs/dbraw/zinc/36/78/36/523367836.db2.gz IJZTYPCDKPBWBJ-APIJFGDWSA-N 2 0 253.434 1.918 10 0 CDAERP C[N@@H+](Cc1ccnc(C[NH3+])c1)CC1CC[NH+](C)CC1 ZINC000068750612 523453716 /nfs/dbraw/zinc/45/37/16/523453716.db2.gz QVINYEURLIZARS-UHFFFAOYSA-N 3 0 262.401 1.314 10 0 CDAERP COCC[N@H+](Cc1cc(C[NH3+])oc1C)[C@@H](C)COC ZINC000052572374 523739401 /nfs/dbraw/zinc/73/94/01/523739401.db2.gz SWKYIHRPMZIMBR-NSHDSACASA-N 2 0 270.373 1.530 10 0 CDAERP CN(C(=O)CC1CCC([NH3+])CC1)C1CC[NH+](C)CC1 ZINC000055123260 523795539 /nfs/dbraw/zinc/79/55/39/523795539.db2.gz BLUNTBGHGUHDJT-UHFFFAOYSA-N 2 0 267.417 1.447 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000055077773 523947557 /nfs/dbraw/zinc/94/75/57/523947557.db2.gz IECSISIDRBQCQT-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C[C@@]2(C[NH2+]C(C)C)CCOC2)CC1 ZINC000055071800 523955172 /nfs/dbraw/zinc/95/51/72/523955172.db2.gz QYFZNNQJXJHBJT-IRXDYDNUSA-N 2 0 297.487 1.807 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000069052692 523956905 /nfs/dbraw/zinc/95/69/05/523956905.db2.gz KREMSASXJYSIFH-GFCCVEGCSA-N 2 0 259.353 1.223 10 0 CDAERP CN(CCC[NH+](C)C)c1cc(C(N)=[NH2+])c2ccccc2n1 ZINC000068798070 524053479 /nfs/dbraw/zinc/05/34/79/524053479.db2.gz BQHWJTXKEXHDNS-UHFFFAOYSA-N 2 0 285.395 1.907 10 0 CDAERP C[C@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)NCC[NH+]1CCCCCC1 ZINC000055136255 524145256 /nfs/dbraw/zinc/14/52/56/524145256.db2.gz ATEHUOFHPIONNA-RRFJBIMHSA-N 2 0 281.444 1.742 10 0 CDAERP Cc1cc(C)c(C[NH3+])c(N2CC[NH+](CC(C)C)CC2)n1 ZINC000055076831 524260212 /nfs/dbraw/zinc/26/02/12/524260212.db2.gz KCNLEGUBEOISIL-UHFFFAOYSA-N 2 0 276.428 1.935 10 0 CDAERP C[C@@H]1CCC[C@H](C(=O)NCC[NH+]2CCCCC2)[C@@H]1[NH3+] ZINC000055138366 524345712 /nfs/dbraw/zinc/34/57/12/524345712.db2.gz POTGHCPSJSMBIB-HZSPNIEDSA-N 2 0 267.417 1.352 10 0 CDAERP C[C@H](C[NH2+]C1CCCCC1)N1CCN(CC[NH+](C)C)CC1 ZINC000061655273 524482304 /nfs/dbraw/zinc/48/23/04/524482304.db2.gz GPALLBDXLZNJBW-MRXNPFEDSA-N 2 0 296.503 1.476 10 0 CDAERP C[C@H]1C[C@@H]([NH3+])CC[C@@H]1C(=O)NCC(C)(C)C[NH+](C)C ZINC000055125324 524790174 /nfs/dbraw/zinc/79/01/74/524790174.db2.gz VWAKZQYSTJDQJO-AVGNSLFASA-N 2 0 269.433 1.454 10 0 CDAERP C[C@@H]1C[C@H]([NH3+])CC[C@@H]1C(=O)NCCCC[NH+](C)C ZINC000055138993 525419281 /nfs/dbraw/zinc/41/92/81/525419281.db2.gz CFCNYRGVNYWMDC-UPJWGTAASA-N 2 0 255.406 1.208 10 0 CDAERP Cc1cc([C@@H](C[NH3+])N2CC[NH+](C)CC2)ccc1F ZINC000050545810 525480931 /nfs/dbraw/zinc/48/09/31/525480931.db2.gz SYECDXXMWMQGQP-CQSZACIVSA-N 2 0 251.349 1.381 10 0 CDAERP C[C@H](C(=O)N[C@H](C[NH+](C)C)c1ccccc1)C1C[NH2+]C1 ZINC000164384963 526113058 /nfs/dbraw/zinc/11/30/58/526113058.db2.gz MQIFPLYLLAJABC-SWLSCSKDSA-N 2 0 275.396 1.261 10 0 CDAERP NC(=[NH2+])C[C@@H](c1ccccc1)N1CC[NH+](C2CC2)CC1 ZINC000055023258 526816327 /nfs/dbraw/zinc/81/63/27/526816327.db2.gz YARWXMJQXPRWJC-HNNXBMFYSA-N 2 0 272.396 1.834 10 0 CDAERP [NH3+]C[C@@H]1CC[C@@H](C[NH+]2CCN(Cc3ccccc3)CC2)O1 ZINC000052417120 527218316 /nfs/dbraw/zinc/21/83/16/527218316.db2.gz SLPLUEQNTIGCTE-IRXDYDNUSA-N 2 0 289.423 1.311 10 0 CDAERP [NH3+]Cc1cn(CC[N@@H+]2CCC[C@H]3CCCC[C@@H]32)nn1 ZINC000052482562 527261455 /nfs/dbraw/zinc/26/14/55/527261455.db2.gz DGDQSWVIJMVRCQ-OCCSQVGLSA-N 2 0 263.389 1.391 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1CC(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC000055123539 527344010 /nfs/dbraw/zinc/34/40/10/527344010.db2.gz XXFGJZPQHYRZBH-BFHYXJOUSA-N 2 0 265.401 1.104 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C1([NH3+])CCCC1 ZINC000092629827 535545647 /nfs/dbraw/zinc/54/56/47/535545647.db2.gz YXBYUPLZNUXVHA-GFCCVEGCSA-N 2 0 253.390 1.201 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)N(C)CC[NH+](C)C2CC2)C1 ZINC000185214970 535574354 /nfs/dbraw/zinc/57/43/54/535574354.db2.gz AURBRHQQHRGHMY-ZDUSSCGKSA-N 2 0 282.432 1.206 10 0 CDAERP C[NH+](C)CCCCNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000426409424 535828439 /nfs/dbraw/zinc/82/84/39/535828439.db2.gz GZZKDAXLYOIPLA-UHFFFAOYSA-N 2 0 267.417 1.319 10 0 CDAERP CC[C@@](C)(O)C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000435911547 536002929 /nfs/dbraw/zinc/00/29/29/536002929.db2.gz NFZKZLPFNYYFND-QGZVFWFLSA-N 2 0 297.487 1.638 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](C)Oc1ccc(F)cc1 ZINC000422795342 536596165 /nfs/dbraw/zinc/59/61/65/536596165.db2.gz VJKIGYGQDWVIIP-GXTWGEPZSA-N 2 0 284.375 1.937 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](c1cccs1)N(C)C ZINC000234723976 536596432 /nfs/dbraw/zinc/59/64/32/536596432.db2.gz FXZDSDKKINEGDW-CHWSQXEVSA-N 2 0 285.457 1.694 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc2c(c1)OCO2 ZINC000234735164 536597142 /nfs/dbraw/zinc/59/71/42/536597142.db2.gz BZNRHOAOFVOYFC-GFCCVEGCSA-N 2 0 266.341 1.259 10 0 CDAERP COC1(C[C@@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)CCC1 ZINC000429435488 536694424 /nfs/dbraw/zinc/69/44/24/536694424.db2.gz JLMYDSGTDGCWDZ-HZPDHXFCSA-N 2 0 297.487 1.950 10 0 CDAERP CCN1CCO[C@H](C[NH2+]C2CC[NH+](C(C)C)CC2)C1 ZINC000167503109 538174509 /nfs/dbraw/zinc/17/45/09/538174509.db2.gz XSXIDOFLNVLCDT-OAHLLOKOSA-N 2 0 269.433 1.170 10 0 CDAERP CN1CC[NH+](CCCC[NH2+]Cc2ccoc2)CC1 ZINC000727465898 574584888 /nfs/dbraw/zinc/58/48/88/574584888.db2.gz ONIODYVTPZDKJA-UHFFFAOYSA-N 2 0 251.374 1.397 10 0 CDAERP CC/C=C\CC[NH2+][C@H]1C[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001688916548 1175067097 /nfs/dbraw/zinc/06/70/97/1175067097.db2.gz JENNQLNCWYKJAI-SSGMOAHOSA-N 2 0 293.455 1.923 10 0 CDAERP CC[NH+]1CCC(CC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000925519978 617431613 /nfs/dbraw/zinc/43/16/13/617431613.db2.gz WBPSYSSFDNJISO-HUUCEWRRSA-N 3 0 265.445 1.968 10 0 CDAERP CC1(C)C[C@@H]([NH2+]Cc2ccc(C(N)=O)nc2)C[C@@H]([NH3+])C1 ZINC000925543919 617487627 /nfs/dbraw/zinc/48/76/27/617487627.db2.gz WYOIRDYKKSGSKX-NEPJUHHUSA-N 2 0 276.384 1.176 10 0 CDAERP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@@H]1CC[N@H+](CC3CC3)C1)[NH2+]2 ZINC000925558701 617509399 /nfs/dbraw/zinc/50/93/99/617509399.db2.gz VQHQGDFHZXOTLD-DPZJBDQQSA-N 2 0 263.429 1.589 10 0 CDAERP C[NH+](C)CCN1CCC([NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925608100 617550283 /nfs/dbraw/zinc/55/02/83/617550283.db2.gz YQUFJMWDFHOYNK-HOCLYGCPSA-N 3 0 296.503 1.508 10 0 CDAERP [NH3+][C@H]1C[C@@H]([NH2+]CCc2ccc(CO)cc2)C12CCC2 ZINC000925635807 617581711 /nfs/dbraw/zinc/58/17/11/617581711.db2.gz PDOHXAQIUSPKQY-LSDHHAIUSA-N 2 0 260.381 1.581 10 0 CDAERP CC1(C)[C@@H]([NH2+][C@@H]2CCn3ccnc3C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925642340 617585589 /nfs/dbraw/zinc/58/55/89/617585589.db2.gz FZVPMQLWEKRPRR-UXOAXIEHSA-N 2 0 274.412 1.564 10 0 CDAERP COC1(OC)CC[C@@H]1[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000926449326 617806126 /nfs/dbraw/zinc/80/61/26/617806126.db2.gz UTKCKJLPIGWGDZ-LBPRGKRZSA-N 2 0 288.457 1.555 10 0 CDAERP Cc1cc(CC[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)nn1C ZINC000925836015 617865386 /nfs/dbraw/zinc/86/53/86/617865386.db2.gz ZDOCKGOAYCIMTO-FZMZJTMJSA-N 2 0 250.390 1.249 10 0 CDAERP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000925777401 617675482 /nfs/dbraw/zinc/67/54/82/617675482.db2.gz OSPUQHAVWLVZGU-QEJZJMRPSA-N 2 0 297.393 1.779 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000925785376 617706771 /nfs/dbraw/zinc/70/67/71/617706771.db2.gz KVNYQNWAMDSRRH-DGADGQDISA-N 3 0 265.445 1.742 10 0 CDAERP CC(C)OC[C@@H](O)CN1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931318029 617713582 /nfs/dbraw/zinc/71/35/82/617713582.db2.gz RCILQBUFYMSCNK-RRFJBIMHSA-N 2 0 270.417 1.046 10 0 CDAERP C[C@H]([NH2+]CC1CCC(S(C)(=O)=O)CC1)[C@H]1CCC[NH2+]1 ZINC000925798601 617727696 /nfs/dbraw/zinc/72/76/96/617727696.db2.gz LXZJJXKMQOHBIA-GFJIZPEISA-N 2 0 288.457 1.320 10 0 CDAERP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925813874 617760965 /nfs/dbraw/zinc/76/09/65/617760965.db2.gz CWTWDLKLGCSBRA-LSDHHAIUSA-N 2 0 283.460 1.593 10 0 CDAERP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000925830460 617849210 /nfs/dbraw/zinc/84/92/10/617849210.db2.gz DVFZFMKHSWMQQA-OBCVZTRHSA-N 2 0 290.407 1.338 10 0 CDAERP C[C@@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000925833400 617858283 /nfs/dbraw/zinc/85/82/83/617858283.db2.gz HJSNMXUGHPEZET-WOPDTQHZSA-N 2 0 281.366 1.989 10 0 CDAERP C(N[C@@H]1CC[NH2+]C12CCCC2)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925839463 617871424 /nfs/dbraw/zinc/87/14/24/617871424.db2.gz QZWLDWWNROXHIM-RBSFLKMASA-N 2 0 263.429 1.783 10 0 CDAERP CC[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)C(C)C ZINC000925854112 617891877 /nfs/dbraw/zinc/89/18/77/617891877.db2.gz KQCQSEKXVOQAPK-STQMWFEESA-N 2 0 268.401 1.696 10 0 CDAERP COC(=O)CC[C@@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923426737 618332730 /nfs/dbraw/zinc/33/27/30/618332730.db2.gz PPDMGXOJDZCMBL-ZDUSSCGKSA-N 2 0 268.401 1.794 10 0 CDAERP COC(=O)[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+]C2)[C@H]([C@@H]2CCCO2)C1 ZINC000923555261 618344168 /nfs/dbraw/zinc/34/41/68/618344168.db2.gz SCTQFIOVTZKJIF-KBXIAJHMSA-N 2 0 296.411 1.029 10 0 CDAERP COC(=O)c1cnc(C[NH2+]CCCC[N@H+](C)C2CC2)s1 ZINC000894968031 619165829 /nfs/dbraw/zinc/16/58/29/619165829.db2.gz SHNXYXNAUCMOIH-UHFFFAOYSA-N 2 0 297.424 1.894 10 0 CDAERP COC(=O)c1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cs1 ZINC000895185679 619438621 /nfs/dbraw/zinc/43/86/21/619438621.db2.gz CBTLKKUXARJAMO-KLPPZKSPSA-N 2 0 282.409 1.965 10 0 CDAERP Cc1ncoc1CN1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000895417699 619650626 /nfs/dbraw/zinc/65/06/26/619650626.db2.gz FSCOUWKANPQPMZ-ZIAGYGMSSA-N 2 0 280.416 1.154 10 0 CDAERP C(CC1CC[NH2+]CC1)CN1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866722991 621579709 /nfs/dbraw/zinc/57/97/09/621579709.db2.gz DRKBGLPGUHACOV-CABCVRRESA-N 2 0 251.418 1.593 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1cn2ccccc2n1 ZINC000924625443 621592265 /nfs/dbraw/zinc/59/22/65/621592265.db2.gz GSUNYCWXALMYRN-VMZNBEPHSA-N 2 0 284.407 1.807 10 0 CDAERP CCO[C@H](CN[C@@H]1CCCc2c1cnn2C)C[NH+](C)C ZINC000926967088 621636816 /nfs/dbraw/zinc/63/68/16/621636816.db2.gz ZTTPPHCLEISDKC-TZMCWYRMSA-N 2 0 280.416 1.354 10 0 CDAERP CC(C)(C)[NH+]1CCC([NH2+]CC[C@H]2CNC(=O)C2)CC1 ZINC000926985055 621644711 /nfs/dbraw/zinc/64/47/11/621644711.db2.gz DQRCGTFPBQEJPP-GFCCVEGCSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]([NH+](C)C)C12CCC2)[NH+](C)C ZINC000898836701 621887518 /nfs/dbraw/zinc/88/75/18/621887518.db2.gz ZHNBHLKOSFAHCV-RDBSUJKOSA-N 2 0 281.444 1.562 10 0 CDAERP C[C@@H](NC(=[NH2+])NCc1ccc2c[nH+]cn2c1)C1CC1 ZINC000899272373 622137439 /nfs/dbraw/zinc/13/74/39/622137439.db2.gz FCDVTVJILOMQIG-SNVBAGLBSA-N 2 0 257.341 1.747 10 0 CDAERP Cc1cn(C(C)(C)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)cn1 ZINC000900666451 623345245 /nfs/dbraw/zinc/34/52/45/623345245.db2.gz VDDWKAWYCBWLQO-CQSZACIVSA-N 2 0 290.411 1.622 10 0 CDAERP CN(CC[NH+](C)C)C(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000900926181 623680388 /nfs/dbraw/zinc/68/03/88/623680388.db2.gz FHNXZUYSUUVTGD-UHFFFAOYSA-N 2 0 288.395 1.924 10 0 CDAERP C[C@@H]([NH2+]CCOCC[NH+](C)C)[C@H]1COc2ccccc2C1 ZINC000902970385 625742731 /nfs/dbraw/zinc/74/27/31/625742731.db2.gz MMRZSRGREDTMLW-GDBMZVCRSA-N 2 0 292.423 1.794 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000903435763 625991879 /nfs/dbraw/zinc/99/18/79/625991879.db2.gz YZQROCGHSBKIMC-ILXRZTDVSA-N 2 0 295.471 1.716 10 0 CDAERP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C[C@H]2CCC[NH2+]2)C1 ZINC000903460813 625996062 /nfs/dbraw/zinc/99/60/62/625996062.db2.gz JEKJEALKVGQGAX-KBUPBQIOSA-N 2 0 267.417 1.099 10 0 CDAERP C(C[C@H]1CCC[NH2+]C1)[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903485019 626007423 /nfs/dbraw/zinc/00/74/23/626007423.db2.gz YJBSSNKIQOBKGZ-ZIAGYGMSSA-N 3 0 251.418 1.640 10 0 CDAERP CC[NH+](CC)CCCN1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903541735 626016150 /nfs/dbraw/zinc/01/61/50/626016150.db2.gz WTOLOQILDNUCAP-VXGBXAGGSA-N 2 0 281.366 1.930 10 0 CDAERP [NH3+][C@@H](CC(F)F)CN1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000903889998 626124208 /nfs/dbraw/zinc/12/42/08/626124208.db2.gz XSSHWEBKCDDNRR-STQMWFEESA-N 2 0 275.387 1.919 10 0 CDAERP CC1(C)CC[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903891457 626125160 /nfs/dbraw/zinc/12/51/60/626125160.db2.gz AIFUHRZKJCFLCF-LBPRGKRZSA-N 2 0 263.389 1.435 10 0 CDAERP CC[N@H+](C[C@@H](C[NH3+])Cc1cnn(C)c1C)C[C@@H]1CCCO1 ZINC000903886633 626133495 /nfs/dbraw/zinc/13/34/95/626133495.db2.gz SBGSUYLFPVGZRK-ZBFHGGJFSA-N 2 0 294.443 1.347 10 0 CDAERP Cc1ccsc1C[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903927586 626148987 /nfs/dbraw/zinc/14/89/87/626148987.db2.gz ZWGWRSIRUJSDHC-GFCCVEGCSA-N 2 0 291.424 1.862 10 0 CDAERP COC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@@H]1CCCOC1 ZINC000903959177 626158818 /nfs/dbraw/zinc/15/88/18/626158818.db2.gz CQRAZOGDYWMBIS-LJIZCISZSA-N 2 0 282.428 1.406 10 0 CDAERP COC[C@H]([NH2+]C[C@@H]([NH3+])CC(C)C)[C@@H]1CCCOC1 ZINC000903959960 626160094 /nfs/dbraw/zinc/16/00/94/626160094.db2.gz SVTJZNIZQJVYHY-RDBSUJKOSA-N 2 0 258.406 1.391 10 0 CDAERP CCCC[C@@H](COC)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903971776 626168117 /nfs/dbraw/zinc/16/81/17/626168117.db2.gz DVIQTMYWTVTIOL-GJZGRUSLSA-N 2 0 284.444 1.940 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)[C@H](C)C1 ZINC000903974510 626169325 /nfs/dbraw/zinc/16/93/25/626169325.db2.gz QAGIAPGPSHEMRL-KBUPBQIOSA-N 3 0 253.434 1.552 10 0 CDAERP CC(C)C[C@@H]([NH3+])CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903980152 626170344 /nfs/dbraw/zinc/17/03/44/626170344.db2.gz KCFUCOVLKSEPIZ-OIISXLGYSA-N 3 0 294.487 1.260 10 0 CDAERP C[C@@]1(C[N@@H+]2C[C@@H]3COC[C@]3(c3ccccc3)C2)CC[NH2+]C1 ZINC000903979063 626170389 /nfs/dbraw/zinc/17/03/89/626170389.db2.gz UOMYAHCSYIDMIV-KURKYZTESA-N 2 0 286.419 1.886 10 0 CDAERP COc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc(OC)c1 ZINC000903965117 626171884 /nfs/dbraw/zinc/17/18/84/626171884.db2.gz WAKNPDLKTWVFGK-YPMHNXCESA-N 2 0 264.369 1.649 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1CCN(c2ccccn2)CC1 ZINC000903968004 626172401 /nfs/dbraw/zinc/17/24/01/626172401.db2.gz ORWSQBJHKJZOLV-KGLIPLIRSA-N 2 0 274.412 1.496 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc2c(c1)C[NH2+]CC2 ZINC000903968367 626172640 /nfs/dbraw/zinc/17/26/40/626172640.db2.gz UIVBNGVNMUNGSW-WBMJQRKESA-N 3 0 259.397 1.277 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCC[C@H](c2ccn(C)n2)C1 ZINC000903988152 626174925 /nfs/dbraw/zinc/17/49/25/626174925.db2.gz OGFQGKMJGBUSQF-KBPBESRZSA-N 2 0 264.417 1.973 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[NH2+]C(C)(C)/C=C/Cl)cnn1C ZINC000903988251 626175410 /nfs/dbraw/zinc/17/54/10/626175410.db2.gz PNHKRAUEZUARFB-FYJFLYSWSA-N 2 0 284.835 1.967 10 0 CDAERP CC[C@](C)(C[NH3+])c1nc(CC2CC[NH2+]CC2)no1 ZINC000905316984 626745601 /nfs/dbraw/zinc/74/56/01/626745601.db2.gz OYSJNLMCCZBAQG-CYBMUJFWSA-N 2 0 252.362 1.238 10 0 CDAERP [NH3+]C1CC(Cc2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)C1 ZINC000905310610 626759261 /nfs/dbraw/zinc/75/92/61/626759261.db2.gz NAUVOQOFWXCBAP-PSTKUWSXSA-N 2 0 262.357 1.347 10 0 CDAERP C[NH+](C)C1CC(NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000908010332 627970453 /nfs/dbraw/zinc/97/04/53/627970453.db2.gz VZBQZRFXUQPBPN-UHFFFAOYSA-N 2 0 281.444 1.850 10 0 CDAERP C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC000908536159 628254401 /nfs/dbraw/zinc/25/44/01/628254401.db2.gz FFIGAQRTLDOUSZ-OAHLLOKOSA-N 2 0 277.412 1.027 10 0 CDAERP CC[C@H]1C[N@H+](CC)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000909207955 628568264 /nfs/dbraw/zinc/56/82/64/628568264.db2.gz GFOPDANWXHGKHZ-ZDUSSCGKSA-N 2 0 265.401 1.025 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH+](C)C)C1(C)C)[NH+](C)C ZINC000911578885 629336515 /nfs/dbraw/zinc/33/65/15/629336515.db2.gz MJHGZRRSOOJKMP-SDDRHHMPSA-N 2 0 255.406 1.172 10 0 CDAERP CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000912304746 629914536 /nfs/dbraw/zinc/91/45/36/629914536.db2.gz QLQPBSUXLFCUDG-ZQDZILKHSA-N 2 0 299.459 1.046 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@]1(C)C[NH+]2CCC1CC2 ZINC000912379259 629951905 /nfs/dbraw/zinc/95/19/05/629951905.db2.gz MXERDWMRBHWTBA-DVOMOZLQSA-N 2 0 279.428 1.460 10 0 CDAERP C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000912802630 630224686 /nfs/dbraw/zinc/22/46/86/630224686.db2.gz FFONZRGCNAADBL-OWCLPIDISA-N 2 0 295.471 1.907 10 0 CDAERP CC[NH+](CC)CCSCC(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912915254 630283385 /nfs/dbraw/zinc/28/33/85/630283385.db2.gz DQBNLMQDHSEBRF-CQSZACIVSA-N 2 0 299.484 1.368 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912920331 630289425 /nfs/dbraw/zinc/28/94/25/630289425.db2.gz TWGQJSNZSXKLMJ-KBPBESRZSA-N 2 0 265.401 1.167 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1C[C@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000913283170 630434152 /nfs/dbraw/zinc/43/41/52/630434152.db2.gz NODMBTSRCCNZGA-MDBPOYHNSA-N 2 0 293.455 1.659 10 0 CDAERP CC[C@@H](C(=O)N1CCC(C)([NH+](C)C)CC1)[NH+](C)C ZINC000913388128 630465980 /nfs/dbraw/zinc/46/59/80/630465980.db2.gz VSAMEJYRCNQISE-LBPRGKRZSA-N 2 0 255.406 1.269 10 0 CDAERP O=C(NC12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000913630488 630720030 /nfs/dbraw/zinc/72/00/30/630720030.db2.gz ADBUHKUIRMSUQS-CQSZACIVSA-N 2 0 291.439 1.605 10 0 CDAERP CC(C)[C@H]1CN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC[N@@H+]1C ZINC000913761634 630746849 /nfs/dbraw/zinc/74/68/49/630746849.db2.gz ULCFQIXAAXWKGH-HRCADAONSA-N 2 0 293.455 1.802 10 0 CDAERP C[C@@H]1[C@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)CC[N@@H+]1C ZINC000914247588 631287614 /nfs/dbraw/zinc/28/76/14/631287614.db2.gz IQVJJJPFFHKVKX-IUODEOHRSA-N 2 0 294.443 1.253 10 0 CDAERP C[C@H]1CN(C(=O)C[NH+]2CCCC2)CCN1c1cc[nH+]cc1 ZINC000915279781 631689199 /nfs/dbraw/zinc/68/91/99/631689199.db2.gz ZZVSXLSGWNICEF-AWEZNQCLSA-N 2 0 288.395 1.215 10 0 CDAERP CC[NH2+]CCCN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001699546282 1158455252 /nfs/dbraw/zinc/45/52/52/1158455252.db2.gz GQTVMRHYHLTZGY-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP Cc1cc(CC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)nn1C ZINC000922684901 695350352 /nfs/dbraw/zinc/35/03/52/695350352.db2.gz CDRVEJDSTJSITE-CQSZACIVSA-N 2 0 264.417 1.733 10 0 CDAERP CO[C@H](C[N@@H+]1CCc2nccc(N)c2C1)C1CCC1 ZINC000931516311 695357588 /nfs/dbraw/zinc/35/75/88/695357588.db2.gz SGCWJRXZFVJNPK-OAHLLOKOSA-N 2 0 261.369 1.837 10 0 CDAERP C[C@@H]1C[N@H+](C[C@@H](O)CC2CCCC2)CC[C@@H]1C[NH3+] ZINC000923490208 695543576 /nfs/dbraw/zinc/54/35/76/695543576.db2.gz BSILAPFNYILNPA-YUELXQCFSA-N 2 0 254.418 1.844 10 0 CDAERP CC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)[C@H]([NH3+])C(C)C)C1 ZINC000713055858 695662209 /nfs/dbraw/zinc/66/22/09/695662209.db2.gz BROBRISYLUSUMI-QWHCGFSZSA-N 2 0 269.433 1.454 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001691112265 1158915230 /nfs/dbraw/zinc/91/52/30/1158915230.db2.gz XGESIMAFIFLGLN-GASCZTMLSA-N 2 0 293.455 1.779 10 0 CDAERP CC[NH+]1CCC(N2CCC[N@H+](CCC(C)=O)CC2)CC1 ZINC000930752442 695837570 /nfs/dbraw/zinc/83/75/70/695837570.db2.gz UUUDZQYSDCCLLM-UHFFFAOYSA-N 2 0 281.444 1.458 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)N(C)OC)C[C@@H]1C ZINC000799125079 695880144 /nfs/dbraw/zinc/88/01/44/695880144.db2.gz FBEMPYTWYYDBDD-STQMWFEESA-N 2 0 271.405 1.201 10 0 CDAERP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000925777461 695182411 /nfs/dbraw/zinc/18/24/11/695182411.db2.gz PAGGFJBMLHIBPL-SDDRHHMPSA-N 2 0 262.344 1.778 10 0 CDAERP C[NH2+][C@@H]1CCN(C(=O)C[C@H]([NH3+])c2cc(C)nc(Cl)c2)C1 ZINC000832250244 695195359 /nfs/dbraw/zinc/19/53/59/695195359.db2.gz NNYCVFBHWYNUCN-NEPJUHHUSA-N 2 0 296.802 1.254 10 0 CDAERP C(C[NH2+][C@@H]1CC[NH2+]C12CCCC2)COC[C@@H]1CCOC1 ZINC000925522683 695248165 /nfs/dbraw/zinc/24/81/65/695248165.db2.gz OODPCHVXPDUSCB-LSDHHAIUSA-N 2 0 282.428 1.694 10 0 CDAERP FC(F)(F)c1cccc(CN2CC[NH2+]CC[NH2+]CC2)c1 ZINC000923459920 695261781 /nfs/dbraw/zinc/26/17/81/695261781.db2.gz HXRZPBOGFXSLKN-UHFFFAOYSA-N 2 0 287.329 1.700 10 0 CDAERP CCCCCC[N@H+](C)CC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000848438705 695307517 /nfs/dbraw/zinc/30/75/17/695307517.db2.gz XAMXAICXKNHUEU-JTQLQIEISA-N 2 0 283.338 1.504 10 0 CDAERP C(COC[C@H]1CCOC1)[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000925021044 695307988 /nfs/dbraw/zinc/30/79/88/695307988.db2.gz WVAXWNTVGQMJPU-JYJNAYRXSA-N 2 0 282.428 1.646 10 0 CDAERP CC[C@H](CO)[NH+]1CCCC2(CCC[N@@H+]([C@H](CC)CO)C2)C1 ZINC000930511784 695320041 /nfs/dbraw/zinc/32/00/41/695320041.db2.gz NGNMQNSOWZTAMH-YNPPLXCJSA-N 2 0 298.471 1.706 10 0 CDAERP Cc1nc(C)c([C@H](C)[NH2+]CCN2CCC([NH3+])CC2)s1 ZINC000092721357 695335309 /nfs/dbraw/zinc/33/53/09/695335309.db2.gz LOOGESHZEJABDR-JTQLQIEISA-N 2 0 282.457 1.834 10 0 CDAERP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CC[NH+](CC2CCCC2)CC1 ZINC000863549846 695339571 /nfs/dbraw/zinc/33/95/71/695339571.db2.gz SDRKZBRNTXRGDX-LSDHHAIUSA-N 2 0 293.411 1.434 10 0 CDAERP O=C1[C@H]([N@@H+]2CCC3(C2)CC[NH2+]CC3)CCN1C1CCC1 ZINC000866660494 695351090 /nfs/dbraw/zinc/35/10/90/695351090.db2.gz JJWODIAYJOXPTQ-CQSZACIVSA-N 2 0 277.412 1.215 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)C=C1CC[NH2+]CC1 ZINC000852864752 695356319 /nfs/dbraw/zinc/35/63/19/695356319.db2.gz GXDCZFJIWHYKRK-LBPRGKRZSA-N 2 0 253.390 1.143 10 0 CDAERP C[N@@H+]1C[C@@H]2CN(C[C@H]3CC4(CCC4)C(=O)O3)C[C@]2(C)C1 ZINC000933732402 695376467 /nfs/dbraw/zinc/37/64/67/695376467.db2.gz QAYJPRUQIZZYBO-NFAWXSAZSA-N 2 0 278.396 1.356 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](N[C@@H]2C[N@@H+]3C[C@@H]2CCC3)C1 ZINC000925223493 695383167 /nfs/dbraw/zinc/38/31/67/695383167.db2.gz VZYOCOXYSCRCKR-GBJTYRQASA-N 2 0 251.418 1.543 10 0 CDAERP Cc1nccn1CCOC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810702339 695383991 /nfs/dbraw/zinc/38/39/91/695383991.db2.gz VRKIGCASYUKNDW-HNNXBMFYSA-N 2 0 297.374 1.947 10 0 CDAERP Cn1nccc1CC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925640689 695443821 /nfs/dbraw/zinc/44/38/21/695443821.db2.gz UUDKSZAONQLHCJ-RYUDHWBXSA-N 2 0 250.390 1.458 10 0 CDAERP Cc1cc([C@H]([NH3+])CC(=O)N2CCC[C@@H]([NH3+])C2)cc(Cl)n1 ZINC000832205247 695446238 /nfs/dbraw/zinc/44/62/38/695446238.db2.gz WNBWQEBYOPZDRX-VXGBXAGGSA-N 2 0 296.802 1.383 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H]2CCc3c[nH]nc3C2)C1 ZINC000925616302 695450291 /nfs/dbraw/zinc/45/02/91/695450291.db2.gz QRAMMXXCZAZLLL-JHJVBQTASA-N 2 0 262.401 1.763 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)CCC23CC(C2)C[NH2+]3)C1 ZINC000870899634 695524111 /nfs/dbraw/zinc/52/41/11/695524111.db2.gz CMLWDTXGSCOWOG-IOSBVQAASA-N 2 0 279.428 1.508 10 0 CDAERP CC[NH+](CC)CCCN(C)CCN(C)C(=O)OC ZINC000852569323 695551114 /nfs/dbraw/zinc/55/11/14/695551114.db2.gz MXUDKQFJKCHBPR-UHFFFAOYSA-N 2 0 259.394 1.348 10 0 CDAERP CCO[C@@H]1C[N@H+](CC[C@@H]2C[C@H]2C2CC2)C[C@H]1C[NH3+] ZINC000714811879 695600639 /nfs/dbraw/zinc/60/06/39/695600639.db2.gz OGMCPMOZXQNXQT-APIJFGDWSA-N 2 0 252.402 1.718 10 0 CDAERP COc1ccc(NC(=[NH2+])NCCc2cn(C)cn2)cc1 ZINC000849040448 695605704 /nfs/dbraw/zinc/60/57/04/695605704.db2.gz VONXAMDFVXBQEE-UHFFFAOYSA-N 2 0 273.340 1.608 10 0 CDAERP COC[C@](C)(CCO)[NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923318539 695616009 /nfs/dbraw/zinc/61/60/09/695616009.db2.gz MEAOHWUICMUDGZ-DKUMPPAJSA-N 2 0 270.417 1.284 10 0 CDAERP COC(CC[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1)OC ZINC000852107481 695625662 /nfs/dbraw/zinc/62/56/62/695625662.db2.gz LRNOVOGSFOUWOA-CQSZACIVSA-N 2 0 256.390 1.413 10 0 CDAERP C[C@@H]1OC[C@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)[C@@H]1C ZINC000925094320 695636893 /nfs/dbraw/zinc/63/68/93/695636893.db2.gz NJELJKZTUVYBEO-CTASWTNQSA-N 2 0 282.428 1.500 10 0 CDAERP C[NH2+]CCN(C[C@@H](O)Cc1ccccc1)C(C)C ZINC000923433154 695685108 /nfs/dbraw/zinc/68/51/08/695685108.db2.gz OJDVOFHIHLKGLC-HNNXBMFYSA-N 2 0 250.386 1.520 10 0 CDAERP [NH3+]CCCCCC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000825546726 695692471 /nfs/dbraw/zinc/69/24/71/695692471.db2.gz AALQCFDSTPYYLF-KBPBESRZSA-N 2 0 267.417 1.496 10 0 CDAERP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)cc1 ZINC000872309973 695736428 /nfs/dbraw/zinc/73/64/28/695736428.db2.gz YTAMSCAZEOAWLU-GTJDQOHESA-N 2 0 271.364 1.567 10 0 CDAERP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)CC1 ZINC000872142863 695744594 /nfs/dbraw/zinc/74/45/94/695744594.db2.gz HDFPHORFTXAQRC-SIRPWMCASA-N 2 0 294.439 1.772 10 0 CDAERP c1ccc(C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C2CC2)nc1 ZINC000923375167 695746796 /nfs/dbraw/zinc/74/67/96/695746796.db2.gz YTUWKBMHEPGCCG-HNNXBMFYSA-N 2 0 273.380 1.425 10 0 CDAERP C[NH+](C)CC1CCN(Cc2noc3c2COCC3)CC1 ZINC000929283917 695747715 /nfs/dbraw/zinc/74/77/15/695747715.db2.gz VNHCXJJLFKTEHE-UHFFFAOYSA-N 2 0 279.384 1.521 10 0 CDAERP C[N@H+](CCc1ccc(F)cc1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923310403 695793802 /nfs/dbraw/zinc/79/38/02/695793802.db2.gz VDIHLCLOJJIJBC-HNNXBMFYSA-N 2 0 278.371 1.679 10 0 CDAERP Cc1cc([C@H]([NH3+])CC(=O)N(C)[C@@H]2CC[NH2+]C2)cc(Cl)n1 ZINC000841847797 695795720 /nfs/dbraw/zinc/79/57/20/695795720.db2.gz KHZGPGQDUHRABK-VXGBXAGGSA-N 2 0 296.802 1.254 10 0 CDAERP CC1(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CCC1 ZINC000872256939 695796801 /nfs/dbraw/zinc/79/68/01/695796801.db2.gz GHMYESCXPPSRKP-XQQFMLRXSA-N 2 0 279.384 1.044 10 0 CDAERP C[C@@H]1C[N@H+](Cc2cc(C(F)(F)F)nn2C)C[C@H]1CC[NH3+] ZINC000923428533 695807635 /nfs/dbraw/zinc/80/76/35/695807635.db2.gz INFIQORCRFBNJU-NXEZZACHSA-N 2 0 290.333 1.856 10 0 CDAERP CC(C)C(=O)NCCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925625036 695814148 /nfs/dbraw/zinc/81/41/48/695814148.db2.gz FYSWRJCDBQOCKH-VXGBXAGGSA-N 2 0 253.390 1.008 10 0 CDAERP CN(CC1CC1)C(=O)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799177890 695824379 /nfs/dbraw/zinc/82/43/79/695824379.db2.gz XBHQPAGYIGDAGK-UHFFFAOYSA-N 2 0 293.455 1.663 10 0 CDAERP Clc1cc2c(nn1)CN(CC[C@@H]1CC[NH2+]C1)CC2 ZINC000843392045 695840892 /nfs/dbraw/zinc/84/08/92/695840892.db2.gz GUAWVMOGHHUADZ-JTQLQIEISA-N 2 0 266.776 1.488 10 0 CDAERP CN(CCCCCCC[NH3+])[C@H](C[NH3+])C(F)(F)F ZINC000852762431 695846502 /nfs/dbraw/zinc/84/65/02/695846502.db2.gz NELDEJSPVSSBPV-SNVBAGLBSA-N 2 0 255.328 1.717 10 0 CDAERP CC(C)[N@H+](C)CCN[C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261859023 695857481 /nfs/dbraw/zinc/85/74/81/695857481.db2.gz BXQYREPFPBASJZ-RRFJBIMHSA-N 2 0 269.433 1.073 10 0 CDAERP C[C@@H]([NH2+]C/C=C/C[NH2+][C@@H](C)c1cn[nH]c1)c1cn[nH]c1 ZINC000778141047 695871184 /nfs/dbraw/zinc/87/11/84/695871184.db2.gz SYZHKJDLAGSHJK-ROUHBEFFSA-N 2 0 274.372 1.690 10 0 CDAERP CC(C)[C@@H]1CCC[C@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925816583 695884099 /nfs/dbraw/zinc/88/40/99/695884099.db2.gz ZLGJGJUDQRFFMC-LSDHHAIUSA-N 2 0 253.434 1.824 10 0 CDAERP C1C[C@@H]2C[C@H]([NH2+][C@H]3CCCC[NH2+]C3)CC[C@H]2CO1 ZINC000925709225 695885947 /nfs/dbraw/zinc/88/59/47/695885947.db2.gz VASLAVPFRSWTNA-BARDWOONSA-N 2 0 252.402 1.923 10 0 CDAERP OCC1(C(F)(F)F)CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000923525392 695887645 /nfs/dbraw/zinc/88/76/45/695887645.db2.gz HFTZYURULTVTQP-LLVKDONJSA-N 2 0 280.334 1.623 10 0 CDAERP C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705258 695888167 /nfs/dbraw/zinc/88/81/67/695888167.db2.gz WEVORHMFUWEJFY-IAQYHMDHSA-N 2 0 267.417 1.350 10 0 CDAERP C[C@@H]1CCN(CC[NH2+][C@H]2CCCN3CCCC[C@H]23)C1 ZINC000925197643 695897445 /nfs/dbraw/zinc/89/74/45/695897445.db2.gz MWOYPEXGLKUYDP-OWCLPIDISA-N 2 0 265.445 1.935 10 0 CDAERP O[C@H](C[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1)C[NH+]1CCCC1 ZINC000723608543 695899840 /nfs/dbraw/zinc/89/98/40/695899840.db2.gz PUYANWPBNIMLNH-CAOSSQGBSA-N 2 0 282.428 1.238 10 0 CDAERP C[C@@H]1CCC[C@@](CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)([NH+](C)C)C1 ZINC000870871764 695904368 /nfs/dbraw/zinc/90/43/68/695904368.db2.gz MQRXWQHGGYQIAH-WDTWZTHCSA-N 2 0 293.455 1.741 10 0 CDAERP CC(C)(C[NH3+])C1CC[NH+](C[C@@H]2C[C@H]3COC[C@H]3O2)CC1 ZINC000724587359 695938608 /nfs/dbraw/zinc/93/86/08/695938608.db2.gz ASGSEHWRLATACA-AEGPPILISA-N 2 0 282.428 1.487 10 0 CDAERP [NH3+]CCCCCC[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000846224482 695952985 /nfs/dbraw/zinc/95/29/85/695952985.db2.gz YDWHKMRFUWNGGG-ZDUSSCGKSA-N 2 0 263.389 1.482 10 0 CDAERP CN(CCC[NH+](C)C)CCNC(=O)OC(C)(C)C ZINC000809729295 695961931 /nfs/dbraw/zinc/96/19/31/695961931.db2.gz DLIQQHDXONNPDE-UHFFFAOYSA-N 2 0 259.394 1.395 10 0 CDAERP OCCC1(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925645237 695993154 /nfs/dbraw/zinc/99/31/54/695993154.db2.gz PBGZWZCDBKAQOA-HUUCEWRRSA-N 2 0 266.429 1.907 10 0 CDAERP C([C@@H]1C[C@@H]2COC[C@@H]2O1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000724585621 695993915 /nfs/dbraw/zinc/99/39/15/695993915.db2.gz LAPKCMMKGKPPIU-YXMSTPNBSA-N 2 0 280.412 1.397 10 0 CDAERP C[C@@H]1CN(CC[N@H+](C)CCCCCC[NH3+])CCO1 ZINC000872155372 695994666 /nfs/dbraw/zinc/99/46/66/695994666.db2.gz LIKCFIPNLKTLFC-CQSZACIVSA-N 2 0 257.422 1.158 10 0 CDAERP CC(C)=CCC[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711040 696027776 /nfs/dbraw/zinc/02/77/76/696027776.db2.gz AFLQCLWSXRDKIA-MCIONIFRSA-N 2 0 279.384 1.210 10 0 CDAERP Cc1cc(N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)cc[nH+]1 ZINC000720396758 696029094 /nfs/dbraw/zinc/02/90/94/696029094.db2.gz HXTWFGLWGGPEQN-KGLIPLIRSA-N 2 0 263.410 1.804 10 0 CDAERP Cn1c(Cl)cnc1C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923453028 696034096 /nfs/dbraw/zinc/03/40/96/696034096.db2.gz YHADYDNWPYZLHT-LLVKDONJSA-N 2 0 298.818 1.403 10 0 CDAERP CCOC(=O)C1=CC[C@H]([NH2+][C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000863542263 696045190 /nfs/dbraw/zinc/04/51/90/696045190.db2.gz CEQIPYBTBNVXDA-MELADBBJSA-N 2 0 266.385 1.745 10 0 CDAERP O[C@@H](C[NH2+]CCC[C@@H]1C=CCC1)C[NH+]1CCCC1 ZINC000872245349 696061192 /nfs/dbraw/zinc/06/11/92/696061192.db2.gz BJPHMYYVQMVPDP-CABCVRRESA-N 2 0 252.402 1.779 10 0 CDAERP CCOC(=O)CC(C)(C)C[NH2+]C[C@@H]1CC[N@H+](CC)C1 ZINC000838904501 696079658 /nfs/dbraw/zinc/07/96/58/696079658.db2.gz MYCIENJBFXOWIJ-ZDUSSCGKSA-N 2 0 270.417 1.897 10 0 CDAERP Cc1cc([C@H]([NH3+])CC(=O)N2CC[C@H](C[NH3+])C2)cc(Cl)n1 ZINC000832554991 696084198 /nfs/dbraw/zinc/08/41/98/696084198.db2.gz WWKQCNOAXGOBMH-ZYHUDNBSSA-N 2 0 296.802 1.241 10 0 CDAERP O=C(CCC12CC(C1)C[NH2+]2)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000870867862 696099240 /nfs/dbraw/zinc/09/92/40/696099240.db2.gz LSGKVIVUKOJYTC-IOSBVQAASA-N 2 0 277.412 1.262 10 0 CDAERP C[N@@H+]1CC[C@]2(CC[NH+](CC[C@H]3COC(C)(C)O3)C2)C1 ZINC000852078019 696132206 /nfs/dbraw/zinc/13/22/06/696132206.db2.gz IRLYHOWNMMKOPG-ZFWWWQNUSA-N 2 0 268.401 1.556 10 0 CDAERP Cc1nccn1CC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925534893 696136955 /nfs/dbraw/zinc/13/69/55/696136955.db2.gz RBEAQCJIYHKJPQ-STQMWFEESA-N 2 0 250.390 1.687 10 0 CDAERP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000868625675 696144359 /nfs/dbraw/zinc/14/43/59/696144359.db2.gz AZTXTMIEKVMOBF-QLFBSQMISA-N 2 0 296.459 1.451 10 0 CDAERP C[C@@H]1[C@H](NC(=O)N2CCC[NH+](C(C)(C)C)CC2)CC[N@@H+]1C ZINC000925316423 696172941 /nfs/dbraw/zinc/17/29/41/696172941.db2.gz KNRHHBQZKVFISO-ZIAGYGMSSA-N 2 0 296.459 1.595 10 0 CDAERP CCCC[NH2+][C@H](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001267129628 1159131957 /nfs/dbraw/zinc/13/19/57/1159131957.db2.gz UKBOTXNGJNGXJV-HIFRSBDPSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001483676787 1161055082 /nfs/dbraw/zinc/05/50/82/1161055082.db2.gz LNBTYVZLQPFBOV-GOEBONIOSA-N 2 0 289.423 1.890 10 0 CDAERP CCC[C@H](C(=O)OCC)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923499056 1161545850 /nfs/dbraw/zinc/54/58/50/1161545850.db2.gz QPFFDISCGBEUSD-JHJVBQTASA-N 2 0 256.390 1.635 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)CCC23CC(C2)C[NH2+]3)CC1 ZINC000870894413 1165229844 /nfs/dbraw/zinc/22/98/44/1165229844.db2.gz SEXSOJGYNXPIQF-UHFFFAOYSA-N 2 0 293.455 1.757 10 0 CDAERP CC[N@H+](C)[C@@H]1CCN(C(=O)NCCC[NH+](C)CC(C)C)C1 ZINC001636661601 1166689494 /nfs/dbraw/zinc/68/94/94/1166689494.db2.gz FWGMBJUSGMWGET-OAHLLOKOSA-N 2 0 298.475 1.700 10 0 CDAERP C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCC(C)(C)[NH+](C)C)C[N@@H+]2C1 ZINC001646929719 1168262646 /nfs/dbraw/zinc/26/26/46/1168262646.db2.gz AMOMROPKDQMJFE-RDBSUJKOSA-N 2 0 281.444 1.563 10 0 CDAERP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]CCC2CCCC2)CC[N@@H+]1C ZINC001567496927 1168812865 /nfs/dbraw/zinc/81/28/65/1168812865.db2.gz CPTVWLBEQKHTJJ-GDBMZVCRSA-N 2 0 295.471 1.955 10 0 CDAERP CC/C=C\CC[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001567604579 1168885246 /nfs/dbraw/zinc/88/52/46/1168885246.db2.gz HXTYRYCSLREGBE-GEXIGZQTSA-N 2 0 267.417 1.342 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]C/C=C/Cl ZINC001568188458 1169169029 /nfs/dbraw/zinc/16/90/29/1169169029.db2.gz LPIFPILNWQWRQB-SJCWFQRBSA-N 2 0 273.808 1.175 10 0 CDAERP CC(C)(C(=O)NC/C=C\C[NH2+]CC1CC1)[NH+]1CCCCC1 ZINC001568850419 1169518308 /nfs/dbraw/zinc/51/83/08/1169518308.db2.gz LNIHGYXIUGPDTR-PLNGDYQASA-N 2 0 293.455 1.923 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC/C=C\C[NH2+]C/C=C\Cl)CC[N@@H+]1C ZINC001568853215 1169520389 /nfs/dbraw/zinc/52/03/89/1169520389.db2.gz CGAYGQBZZWUDLD-FNCHAKRGSA-N 2 0 299.846 1.731 10 0 CDAERP C[C@@H](C[NH2+]C/C=C\Cl)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001569064427 1169627099 /nfs/dbraw/zinc/62/70/99/1169627099.db2.gz FOTMINSYKVMVSY-IRBQFCFKSA-N 2 0 299.846 1.709 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001570088697 1170076462 /nfs/dbraw/zinc/07/64/62/1170076462.db2.gz GCXYJFBDJCFNQY-RRFJBIMHSA-N 2 0 299.434 1.799 10 0 CDAERP CC/C=C\CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001571191471 1170344577 /nfs/dbraw/zinc/34/45/77/1170344577.db2.gz DDNZNESHDMXZKR-LDUWWUQZSA-N 2 0 293.455 1.779 10 0 CDAERP CCCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001571392684 1170408227 /nfs/dbraw/zinc/40/82/27/1170408227.db2.gz BSGIVMTULCIVPT-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP COCCC[NH2+]C[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001662644296 1172573758 /nfs/dbraw/zinc/57/37/58/1172573758.db2.gz ATXFJABCXYCVPM-CABCVRRESA-N 2 0 299.459 1.047 10 0 CDAERP CC1CC[NH+](CC(=O)N[C@H]2CCC[C@@H]2C[NH2+]CCF)CC1 ZINC001667759186 1173321651 /nfs/dbraw/zinc/32/16/51/1173321651.db2.gz VRUHTTDGDKLBHC-CABCVRRESA-N 2 0 299.434 1.562 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC/C=C/C[NH2+]CCF ZINC001669200333 1173516323 /nfs/dbraw/zinc/51/63/23/1173516323.db2.gz CUUJJODVYGVHRJ-CDJBXZAQSA-N 2 0 271.380 1.091 10 0 CDAERP CCCC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001676018398 1174173746 /nfs/dbraw/zinc/17/37/46/1174173746.db2.gz LVNUCJXPLWHRII-ZIAGYGMSSA-N 2 0 269.433 1.613 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CCCF ZINC001698599694 1175866666 /nfs/dbraw/zinc/86/66/66/1175866666.db2.gz FMWHRIBDPIOBND-KGLIPLIRSA-N 2 0 285.407 1.172 10 0 CDAERP CC(C)[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001698949486 1175992615 /nfs/dbraw/zinc/99/26/15/1175992615.db2.gz HNKNUYWQIYABSS-KBPBESRZSA-N 2 0 269.433 1.563 10 0 CDAERP C[C@H](CC[NH2+]CCCF)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001699126561 1176105513 /nfs/dbraw/zinc/10/55/13/1176105513.db2.gz NGFPRJIHRCSXHL-CYBMUJFWSA-N 2 0 287.423 1.705 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)CC[NH2+]CC)C1 ZINC001699129397 1176105632 /nfs/dbraw/zinc/10/56/32/1176105632.db2.gz FYWQSUGHLRENOQ-KGLIPLIRSA-N 2 0 269.433 1.613 10 0 CDAERP CCCCC[NH2+]CC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001699148468 1176112652 /nfs/dbraw/zinc/11/26/52/1176112652.db2.gz VBIASIXFCMWQPB-CQSZACIVSA-N 2 0 281.444 1.757 10 0 CDAERP CC(C)CC[NH2+]C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001699757479 1176609584 /nfs/dbraw/zinc/60/95/84/1176609584.db2.gz UMCWDSAKXYPGBM-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001699963321 1176693870 /nfs/dbraw/zinc/69/38/70/1176693870.db2.gz MQWQNSCHBZQDHA-KBPBESRZSA-N 2 0 269.433 1.422 10 0 CDAERP CCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001699966759 1176700426 /nfs/dbraw/zinc/70/04/26/1176700426.db2.gz KCJIEAGZDNNNAV-KGLIPLIRSA-N 2 0 269.433 1.422 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]C/C=C\Cl)C1 ZINC001700126262 1176759452 /nfs/dbraw/zinc/75/94/52/1176759452.db2.gz GAXUVUPEHZLTSU-ALCJFRFOSA-N 2 0 299.846 1.661 10 0 CDAERP C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)[NH2+]CCCF ZINC001700419411 1176918028 /nfs/dbraw/zinc/91/80/28/1176918028.db2.gz WOQUZAWNFUVJFG-STQMWFEESA-N 2 0 289.439 1.807 10 0 CDAERP CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001700733454 1177098715 /nfs/dbraw/zinc/09/87/15/1177098715.db2.gz ZFRBIYYHGMJLQB-OCCSQVGLSA-N 2 0 267.417 1.175 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CC2CC2)C[C@H]1C ZINC001700853911 1177167061 /nfs/dbraw/zinc/16/70/61/1177167061.db2.gz OEPHDUJGELDYEJ-OCCSQVGLSA-N 2 0 267.417 1.316 10 0 CDAERP CCC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)[C@@H]1C ZINC001700882367 1177177148 /nfs/dbraw/zinc/17/71/48/1177177148.db2.gz MUFZAZMZNMVRRE-STQMWFEESA-N 2 0 255.406 1.317 10 0 CDAERP CC(C)[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001701000551 1177232948 /nfs/dbraw/zinc/23/29/48/1177232948.db2.gz QOMOUTGIESIOHH-CHWSQXEVSA-N 2 0 269.433 1.467 10 0 CDAERP CCC[NH2+]CCOCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001701037071 1177249140 /nfs/dbraw/zinc/24/91/40/1177249140.db2.gz NAFFKZRHGLXMNK-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[N@H+](C)CCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001712982704 1178286174 /nfs/dbraw/zinc/28/61/74/1178286174.db2.gz OVLQVMPISUXNNZ-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001712998016 1178291889 /nfs/dbraw/zinc/29/18/89/1178291889.db2.gz BGWIRDHWCUCTBJ-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP CCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]C)CC1 ZINC000236761957 1178412681 /nfs/dbraw/zinc/41/26/81/1178412681.db2.gz BBQWMSGTSLTTHO-AWEZNQCLSA-N 2 0 267.417 1.461 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CCCF)C2)CC1 ZINC001713204815 1178430937 /nfs/dbraw/zinc/43/09/37/1178430937.db2.gz JCKCAUMBLWCBQU-GASCZTMLSA-N 2 0 299.434 1.703 10 0 CDAERP CCC(CC)C[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001714005197 1178923689 /nfs/dbraw/zinc/92/36/89/1178923689.db2.gz ZVKFKFDDRHBOMD-OKILXGFUSA-N 2 0 269.433 1.611 10 0 CDAERP O=C(C[NH+]1CCCC1)NC1(C[NH2+]C/C=C\Cl)CCCC1 ZINC001714151693 1178993329 /nfs/dbraw/zinc/99/33/29/1178993329.db2.gz SAAPKZBVTUHMED-YVMONPNESA-N 2 0 299.846 1.853 10 0 CDAERP CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001714201510 1179013133 /nfs/dbraw/zinc/01/31/33/1179013133.db2.gz RNVKSOLKIYXMOK-KGLIPLIRSA-N 2 0 267.417 1.319 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H](CC[NH2+]CCF)C1 ZINC001714236665 1179038062 /nfs/dbraw/zinc/03/80/62/1179038062.db2.gz VQTIJSMJFGEPTF-AWEZNQCLSA-N 2 0 287.423 1.516 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CCCC1 ZINC001714509729 1179176385 /nfs/dbraw/zinc/17/63/85/1179176385.db2.gz NVMWHUINVVOKQB-UHFFFAOYSA-N 2 0 293.455 1.901 10 0 CDAERP CC/C=C\CC[NH2+][C@H](CC)CNC(=O)C12CC[NH+](CC1)C2 ZINC001715086391 1179546448 /nfs/dbraw/zinc/54/64/48/1179546448.db2.gz RJQONIORKHCNNY-IYKSTZQJSA-N 2 0 293.455 1.923 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCCF)CC1 ZINC001715182525 1179571451 /nfs/dbraw/zinc/57/14/51/1179571451.db2.gz JSGQKLOTYYUOCC-RBSFLKMASA-N 2 0 299.434 1.847 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)C[NH2+]CCC2CC2)CC[N@@H+]1C ZINC001715234639 1179590418 /nfs/dbraw/zinc/59/04/18/1179590418.db2.gz VZKRJFQLMRZYFR-VNQPRFMTSA-N 2 0 295.471 1.859 10 0 CDAERP C[C@@H](CC[NH2+]C/C=C/Cl)NC(=O)C1(C[NH+](C)C)CC1 ZINC001715673851 1179760019 /nfs/dbraw/zinc/76/00/19/1179760019.db2.gz ISXQNVQPRDQGBR-GXWOQWCDSA-N 2 0 287.835 1.565 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC/C=C\C[NH2+]C/C=C\Cl)C1 ZINC001715900029 1179904632 /nfs/dbraw/zinc/90/46/32/1179904632.db2.gz SXMGJLUSZSIAJK-QHFOCRFBSA-N 2 0 285.819 1.343 10 0 CDAERP C[C@H](C[NH2+]CCCO)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001715939343 1179930939 /nfs/dbraw/zinc/93/09/39/1179930939.db2.gz NAPGSKBMZYAKRF-CYBMUJFWSA-N 2 0 299.459 1.116 10 0 CDAERP COC[C@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001716293055 1180146437 /nfs/dbraw/zinc/14/64/37/1180146437.db2.gz ABKZRXBMPIIJLV-LUNKNMTDSA-N 2 0 297.443 1.156 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC1CCC1 ZINC001716294252 1180146512 /nfs/dbraw/zinc/14/65/12/1180146512.db2.gz SIXCFELFCWHROO-QDLOVBKTSA-N 2 0 293.455 1.921 10 0 CDAERP CC/C=C\CC[NH2+]C[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001716460468 1180223691 /nfs/dbraw/zinc/22/36/91/1180223691.db2.gz IAGHHEQXOBGTLS-LUNKNMTDSA-N 2 0 281.444 1.779 10 0 CDAERP CCOCC[N@@H+]1CCC[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001716899415 1180458369 /nfs/dbraw/zinc/45/83/69/1180458369.db2.gz MAJUTRRFKKDWEP-INIZCTEOSA-N 2 0 299.459 1.193 10 0 CDAERP CCCCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001716921840 1180467420 /nfs/dbraw/zinc/46/74/20/1180467420.db2.gz YFVNKFPRXPYXJQ-ZBFHGGJFSA-N 2 0 299.459 1.070 10 0 CDAERP CCCCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001717467224 1180687620 /nfs/dbraw/zinc/68/76/20/1180687620.db2.gz YAFVQRITFZIPER-KGLIPLIRSA-N 2 0 269.433 1.707 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CCOC(C)C)C[C@H]1C ZINC001717826451 1180881752 /nfs/dbraw/zinc/88/17/52/1180881752.db2.gz OWBORULEVXDPSF-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP C[C@H](C[N@H+](C)CCC1CC1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001722913831 1181491652 /nfs/dbraw/zinc/49/16/52/1181491652.db2.gz GYJMHIHSUJNGJY-TZMCWYRMSA-N 2 0 267.417 1.175 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]CCCF ZINC001723022190 1181511158 /nfs/dbraw/zinc/51/11/58/1181511158.db2.gz IMZQVHASVCHNKN-CQSZACIVSA-N 2 0 287.423 1.657 10 0 CDAERP CC[C@H](C)C[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001723055310 1181514562 /nfs/dbraw/zinc/51/45/62/1181514562.db2.gz NYQXAUMHWUEPRZ-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@H](C(=O)N(C)CCC[NH2+]Cc1cncs1)[NH+](C)C ZINC001723177287 1181524583 /nfs/dbraw/zinc/52/45/83/1181524583.db2.gz YSAQGHBUEARKJL-CYBMUJFWSA-N 2 0 298.456 1.421 10 0 CDAERP CC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)[C@@H](C)C1 ZINC001723872268 1181614273 /nfs/dbraw/zinc/61/42/73/1181614273.db2.gz DOWDBKMTTMBMFY-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP CC[C@@H](C(=O)N[C@@]1(C)CC[N@H+](CC)C1)[NH+](CC)CC ZINC001724175823 1181648410 /nfs/dbraw/zinc/64/84/10/1181648410.db2.gz ZQLZLPDSLUZDMF-ZFWWWQNUSA-N 2 0 269.433 1.707 10 0 CDAERP CCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001724609841 1181704485 /nfs/dbraw/zinc/70/44/85/1181704485.db2.gz SPRMQVDOTVYYDD-KGLIPLIRSA-N 2 0 269.433 1.421 10 0 CDAERP CC(C)CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001724700993 1181729044 /nfs/dbraw/zinc/72/90/44/1181729044.db2.gz UPYBYQSMMVGSJK-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)=CC[NH+](C)[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001725188039 1181913753 /nfs/dbraw/zinc/91/37/53/1181913753.db2.gz NNDHDWIEXJKMKJ-HUUCEWRRSA-N 2 0 281.444 1.731 10 0 CDAERP C[C@@H](CCC[NH2+]CC1CCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001725418773 1181993287 /nfs/dbraw/zinc/99/32/87/1181993287.db2.gz RHBUWPZLLQVARJ-DZGCQCFKSA-N 2 0 281.444 1.613 10 0 CDAERP CCCC[NH2+][C@@H](C)CN(C)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001725516062 1182032562 /nfs/dbraw/zinc/03/25/62/1182032562.db2.gz PZCDPACIEGHLIV-HOCLYGCPSA-N 2 0 281.444 1.709 10 0 CDAERP CC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001725572486 1182053648 /nfs/dbraw/zinc/05/36/48/1182053648.db2.gz BOGXEVKBFJNXLM-CHWSQXEVSA-N 2 0 255.406 1.317 10 0 CDAERP CC(C)OCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001731432026 1182380136 /nfs/dbraw/zinc/38/01/36/1182380136.db2.gz WIKSBMMCGBZYOR-GJZGRUSLSA-N 2 0 297.443 1.086 10 0 CDAERP CN(CC[NH2+]CC1CCC1)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001731973493 1182708539 /nfs/dbraw/zinc/70/85/39/1182708539.db2.gz BMPAKMHDHOKWEQ-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]CCCF ZINC001732457451 1182975432 /nfs/dbraw/zinc/97/54/32/1182975432.db2.gz HGFNTTCLDBXRDN-GFCCVEGCSA-N 2 0 261.385 1.123 10 0 CDAERP O=C(NC/C=C/C[NH2+]CCC1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001732851913 1183158418 /nfs/dbraw/zinc/15/84/18/1183158418.db2.gz XQCOCVOCZGVLAG-XGBNDESESA-N 2 0 291.439 1.390 10 0 CDAERP CCC[NH2+]C/C=C\CNC(=O)CC1CC[NH+](C)CC1 ZINC001732908735 1183181212 /nfs/dbraw/zinc/18/12/12/1183181212.db2.gz OQRSFQDMDJPJQH-PLNGDYQASA-N 2 0 267.417 1.390 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CCCF)[C@@H](C)C1 ZINC001733857134 1183551269 /nfs/dbraw/zinc/55/12/69/1183551269.db2.gz HOBDTSFJHJKKKM-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP CCCCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001734065100 1183643888 /nfs/dbraw/zinc/64/38/88/1183643888.db2.gz LLDWCHWRDUZWCC-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[NH+](CCOCC)CC1(C)C ZINC001734155100 1183677851 /nfs/dbraw/zinc/67/78/51/1183677851.db2.gz OXVVNNGWXBNFOS-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)[NH2+][C@H]1C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001734431358 1183777601 /nfs/dbraw/zinc/77/76/01/1183777601.db2.gz YYHXZKPCTDNCFL-KGLIPLIRSA-N 2 0 269.433 1.706 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]CCCF)C(C)(C)C ZINC001734572765 1183827966 /nfs/dbraw/zinc/82/79/66/1183827966.db2.gz XEPHYJGRRCZPBF-LBPRGKRZSA-N 2 0 275.412 1.418 10 0 CDAERP CC[NH+]1CCC([C@@H](C)NC(=O)CCC[NH+](C)C)CC1 ZINC001734579237 1183832895 /nfs/dbraw/zinc/83/28/95/1183832895.db2.gz RCIHDGHXCBSCGN-CYBMUJFWSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@H]1C[N@H+](CCCN[C@H]2CC[NH2+]C23CCCC3)CCCO1 ZINC000925652281 724398119 /nfs/dbraw/zinc/39/81/19/724398119.db2.gz PIDGRBFHDPMNOH-HOTGVXAUSA-N 2 0 295.471 1.752 10 0 CDAERP C[C@H](CNC(=O)CCC12CC(C1)C[NH2+]2)C[NH+]1CCCCC1 ZINC000870870438 724416929 /nfs/dbraw/zinc/41/69/29/724416929.db2.gz VWXPFSKWHKYFNX-HPUBIQBYSA-N 2 0 293.455 1.757 10 0 CDAERP Cn1cc(C[NH2+]CC2(c3ccccc3)CC[NH+](C)CC2)nn1 ZINC000865774015 724417656 /nfs/dbraw/zinc/41/76/56/724417656.db2.gz MQZAUKJGDSZRHO-UHFFFAOYSA-N 2 0 299.422 1.568 10 0 CDAERP CN(C)c1nccc(N(C)C2(C[NH3+])CCCCC2)n1 ZINC000713339170 724425939 /nfs/dbraw/zinc/42/59/39/724425939.db2.gz QJTNXVGWMHDTLE-UHFFFAOYSA-N 2 0 263.389 1.640 10 0 CDAERP C[C@H](C(=O)NC1CC1)[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923503591 724426020 /nfs/dbraw/zinc/42/60/20/724426020.db2.gz MYKYMDGAVPXMRI-ZIAGYGMSSA-N 2 0 293.455 1.755 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CC[S@](=O)CC(F)(F)F)CCN1C ZINC000850491311 724433840 /nfs/dbraw/zinc/43/38/40/724433840.db2.gz OCBXBJXXYQJLPZ-JJQCHNSYSA-N 2 0 286.363 1.370 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCOC[C@@H]2C(C)C)CC1 ZINC000924671276 724438444 /nfs/dbraw/zinc/43/84/44/724438444.db2.gz OZDLOHWFDOHCED-BRWVUGGUSA-N 2 0 297.487 1.663 10 0 CDAERP C[N@H+](CCN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C1CCCCC1 ZINC000925482739 723697323 /nfs/dbraw/zinc/69/73/23/723697323.db2.gz UCKJQCFPIZBNGG-XSIBGMEISA-N 2 0 277.456 1.837 10 0 CDAERP CC[C@H]1CCN(C(=[NH2+])NC[C@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000864455063 723703580 /nfs/dbraw/zinc/70/35/80/723703580.db2.gz FNDOJTFHENNIEK-UONOGXRCSA-N 2 0 266.433 1.973 10 0 CDAERP CC1(C)C[C@@H]([NH2+]CC(=O)NCC2CC2)C[C@@H]([NH3+])C1 ZINC000925627325 723713628 /nfs/dbraw/zinc/71/36/28/723713628.db2.gz BKRKCSWTXRYALW-NEPJUHHUSA-N 2 0 253.390 1.008 10 0 CDAERP CC[C@H]1COC[C@@H]1[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000925954635 723725786 /nfs/dbraw/zinc/72/57/86/723725786.db2.gz OKUQQCZPUXJRSM-KKUMJFAQSA-N 2 0 299.459 1.094 10 0 CDAERP C[C@H](C[NH2+][C@H](C1CCC1)[C@@H]1CCOC1)N1CC[NH+](C)CC1 ZINC000924967896 723731149 /nfs/dbraw/zinc/73/11/49/723731149.db2.gz ZWMAKTCJANZNQD-DJIMGWMZSA-N 2 0 295.471 1.417 10 0 CDAERP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872275920 723732401 /nfs/dbraw/zinc/73/24/01/723732401.db2.gz LZYOZSVSKAZRFV-NVXWUHKLSA-N 2 0 296.455 1.867 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[NH+](C)CC[C@@H]3C2)CC[N@@H+]1C ZINC000812323073 723741607 /nfs/dbraw/zinc/74/16/07/723741607.db2.gz GGNNGXYQZRFXOB-XQLPTFJDSA-N 2 0 279.428 1.127 10 0 CDAERP COCCN1CC[C@H]([NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925554749 723744690 /nfs/dbraw/zinc/74/46/90/723744690.db2.gz AHHGFKUARISHMJ-IHRRRGAJSA-N 2 0 269.433 1.203 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCCN3CCCC[C@H]23)C1 ZINC000926665106 723749068 /nfs/dbraw/zinc/74/90/68/723749068.db2.gz BJEJPSIYNIDIDG-XUWVNRHRSA-N 2 0 265.445 1.933 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1nc2c(s1)CCC2 ZINC000722508874 723754391 /nfs/dbraw/zinc/75/43/91/723754391.db2.gz OUFVVXPLBOVEBW-GHMZBOCLSA-N 2 0 265.426 1.967 10 0 CDAERP Cc1cc([C@H]([NH3+])CC(=O)N[C@@H](C)CC[NH3+])cc(Cl)n1 ZINC000834453195 723759116 /nfs/dbraw/zinc/75/91/16/723759116.db2.gz OTVGAZNNXKOXES-GZMMTYOYSA-N 2 0 284.791 1.287 10 0 CDAERP C[C@@H](C(=O)NC1CCCC1)[N@H+](C)CCCCCC[NH3+] ZINC000710832099 723762425 /nfs/dbraw/zinc/76/24/25/723762425.db2.gz HDVLFGZZFBAUOG-ZDUSSCGKSA-N 2 0 269.433 1.885 10 0 CDAERP CSC1(C[NH2+][C@@H]2CC[NH2+]C23CCC3)CCOCC1 ZINC000925573021 723763969 /nfs/dbraw/zinc/76/39/69/723763969.db2.gz LTKDJJWFABRKFR-GFCCVEGCSA-N 2 0 270.442 1.773 10 0 CDAERP COC[C@H](CC[NH2+][C@@H]1CC[NH2+]C12CCCC2)OC ZINC000925714049 723765346 /nfs/dbraw/zinc/76/53/46/723765346.db2.gz NDWPHDXAWAAKCA-QWHCGFSZSA-N 2 0 256.390 1.302 10 0 CDAERP COC(=O)[C@]12CCC[C@H]1[N@H+](C[C@H](O)C[NH+](C)C(C)C)CC2 ZINC000880183951 723770295 /nfs/dbraw/zinc/77/02/95/723770295.db2.gz ODIJZLQTSJLTGY-FMKPAKJESA-N 2 0 298.427 1.105 10 0 CDAERP C[C@@H]1C[N@H+](C[C@@H]2CC[C@@H](C(F)(F)F)O2)C[C@H]1C[NH3+] ZINC000721443389 723771112 /nfs/dbraw/zinc/77/11/12/723771112.db2.gz AKYIEVFXEGNFMH-ZNSHCXBVSA-N 2 0 266.307 1.623 10 0 CDAERP CC[C@@H]1CCN(C(=[NH2+])NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000864452042 723774991 /nfs/dbraw/zinc/77/49/91/723774991.db2.gz LHCSDNHXOCPURB-CHWSQXEVSA-N 2 0 264.417 1.727 10 0 CDAERP Cc1ccc(NC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)c(N(C)C)n1 ZINC000859664879 723781620 /nfs/dbraw/zinc/78/16/20/723781620.db2.gz LSXMGIQTYXOKOI-CMPLNLGQSA-N 2 0 291.399 1.718 10 0 CDAERP CCN(C(=O)N[C@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@H+](CC)C1 ZINC000925343844 723781731 /nfs/dbraw/zinc/78/17/31/723781731.db2.gz QVEDUJRVICCEAH-RDBSUJKOSA-N 2 0 282.432 1.205 10 0 CDAERP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CCN2CCC([NH3+])CC2)C1 ZINC000925816363 723781906 /nfs/dbraw/zinc/78/19/06/723781906.db2.gz FLZVGJNKLUMCHE-NFAWXSAZSA-N 2 0 253.434 1.824 10 0 CDAERP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)[C@H](O)c1ccc2c(c1)OCO2 ZINC000848721209 723808444 /nfs/dbraw/zinc/80/84/44/723808444.db2.gz BVZQQUSBWGTGCC-VFFTVRQLSA-N 2 0 292.379 1.697 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)/C=C/C(C)(C)C ZINC000855346307 723826608 /nfs/dbraw/zinc/82/66/08/723826608.db2.gz VURVCQKFAXTEKV-HBWSCVEGSA-N 2 0 283.460 1.977 10 0 CDAERP O[C@H](C[NH2+][C@@H](C1CCC1)[C@H]1CCOC1)C[NH+]1CCCC1 ZINC000711841724 723886964 /nfs/dbraw/zinc/88/69/64/723886964.db2.gz JVURGNOVKQSWRR-XHSDSOJGSA-N 2 0 282.428 1.238 10 0 CDAERP CS[C@H]1C[C@H]([NH2+]C[C@@H](O)CN(C)Cc2ccccc2)C1 ZINC000872224425 723887819 /nfs/dbraw/zinc/88/78/19/723887819.db2.gz DFGIUMHDDPJCBV-BZUAXINKSA-N 2 0 294.464 1.963 10 0 CDAERP C[C@H]1C[N@H+](CC(=O)NCCC(C)(C)C)CC[C@H]1C[NH3+] ZINC000923499431 724059782 /nfs/dbraw/zinc/05/97/82/724059782.db2.gz NTICRQJZZFGKOC-STQMWFEESA-N 2 0 269.433 1.456 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)C1CCCC1 ZINC000925852949 724029336 /nfs/dbraw/zinc/02/93/36/724029336.db2.gz IXAYNJYWTKGFNG-JSGCOSHPSA-N 2 0 280.412 1.840 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000852897690 724043814 /nfs/dbraw/zinc/04/38/14/724043814.db2.gz FNYICYUXLQFMPX-INIZCTEOSA-N 2 0 291.439 1.534 10 0 CDAERP C(CN1CC[NH2+]CCC12CCC2)OC1CCOCC1 ZINC000713142356 724085486 /nfs/dbraw/zinc/08/54/86/724085486.db2.gz JFVWNBJXFWGQDV-UHFFFAOYSA-N 2 0 268.401 1.400 10 0 CDAERP CC(C)[C@@H]1CCN(C[NH+]2CCC(C[NH+](C)C)CC2)C1=O ZINC000853496288 724118833 /nfs/dbraw/zinc/11/88/33/724118833.db2.gz CUYQKBVYJDZASU-HNNXBMFYSA-N 2 0 281.444 1.722 10 0 CDAERP C[C@H]([NH2+]C[C@@H](O)CC(C)(C)O)C(C)(C)C[NH+](C)C ZINC000872204354 724214002 /nfs/dbraw/zinc/21/40/02/724214002.db2.gz OPEQTBYHCJCLTB-RYUDHWBXSA-N 2 0 260.422 1.074 10 0 CDAERP C([NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)C12CC(C1)C[NH2+]2 ZINC000925716959 724294391 /nfs/dbraw/zinc/29/43/91/724294391.db2.gz UABNDMMUFWIDPP-KSDPFWLUSA-N 2 0 250.386 1.533 10 0 CDAERP CC(C)(CC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)S(C)(=O)=O ZINC000925699176 724353359 /nfs/dbraw/zinc/35/33/59/724353359.db2.gz VFDKWKQJJFFUIQ-GHMZBOCLSA-N 2 0 274.430 1.059 10 0 CDAERP CCNC(NCC(C)(C)[NH+]1CCCCC1)=[NH+]CC ZINC000066242135 724359770 /nfs/dbraw/zinc/35/97/70/724359770.db2.gz XFAJEWULPUVNFM-UHFFFAOYSA-N 2 0 254.422 1.826 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+]Cc2cn(C3CC3)cn2)CC1 ZINC000865411780 724457067 /nfs/dbraw/zinc/45/70/67/724457067.db2.gz DUBOEXJYOIFCDQ-UHFFFAOYSA-N 2 0 291.443 1.335 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H]1CC[NH+](C)[C@H]1C ZINC000922546863 724457856 /nfs/dbraw/zinc/45/78/56/724457856.db2.gz DSUBFGBSPUADFV-RDBSUJKOSA-N 2 0 284.448 1.499 10 0 CDAERP CC(C)([NH3+])c1cc(C(=O)NCCCCCC[NH3+])on1 ZINC000852894229 725404768 /nfs/dbraw/zinc/40/47/68/725404768.db2.gz JCCDROULUVXMDO-UHFFFAOYSA-N 2 0 268.361 1.117 10 0 CDAERP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H](O)CCC2(O)CCC2)C1 ZINC000929747541 724459413 /nfs/dbraw/zinc/45/94/13/724459413.db2.gz FJIASZJFJDUSBL-HZPDHXFCSA-N 2 0 298.471 1.706 10 0 CDAERP Cn1nccc1CC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925640427 725662625 /nfs/dbraw/zinc/66/26/25/725662625.db2.gz SKRPKLWYYONKAU-RDBSUJKOSA-N 2 0 262.401 1.329 10 0 CDAERP C[NH+](C)CCN(CCc1ccccc1)C(=O)NCCC[NH3+] ZINC000841932276 724543082 /nfs/dbraw/zinc/54/30/82/724543082.db2.gz NBSDHLCHOVVLGT-UHFFFAOYSA-N 2 0 292.427 1.151 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870885561 724612926 /nfs/dbraw/zinc/61/29/26/724612926.db2.gz JDQRVQRLNOWZFF-COMQUAJESA-N 2 0 265.401 1.104 10 0 CDAERP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000872293564 724681089 /nfs/dbraw/zinc/68/10/89/724681089.db2.gz ZLGQTACJJWBEMO-AXFHLTTASA-N 2 0 275.343 1.007 10 0 CDAERP [NH3+]CCCN(Cc1ccccc1)C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870942577 724684788 /nfs/dbraw/zinc/68/47/88/724684788.db2.gz QATLRFOCCDRJDU-VYDXJSESSA-N 2 0 287.407 1.491 10 0 CDAERP C[N@H+](CCOCC[NH3+])C[C@@H]1CC(C)(C)OC1(C)C ZINC000709702799 724781645 /nfs/dbraw/zinc/78/16/45/724781645.db2.gz PKRSULOOKVWALS-LBPRGKRZSA-N 2 0 258.406 1.487 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H](N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000925557387 724791761 /nfs/dbraw/zinc/79/17/61/724791761.db2.gz PASCBCRBKGWFBX-RBSFLKMASA-N 2 0 265.445 1.966 10 0 CDAERP [NH3+][C@@H]1CCCC[C@@H]1c1nc([C@@H]2CN3CCC[C@H]3CO2)no1 ZINC000252559768 724801463 /nfs/dbraw/zinc/80/14/63/724801463.db2.gz VIGPRIXIMHRYBC-RVMXOQNASA-N 2 0 292.383 1.590 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCNc2ncccn2)[C@@H]2CCC[C@@H]21 ZINC000796794413 724812085 /nfs/dbraw/zinc/81/20/85/724812085.db2.gz UAMZURZRIRVDJP-KKUMJFAQSA-N 2 0 289.427 1.741 10 0 CDAERP COCC[C@@H](COC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000310837453 725158513 /nfs/dbraw/zinc/15/85/13/725158513.db2.gz MWRCNHVDWNKLNY-FUDCBSFHSA-N 2 0 256.390 1.253 10 0 CDAERP C[C@@H]1C[N@H+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)C[C@H]1CC[NH3+] ZINC000723924773 725222103 /nfs/dbraw/zinc/22/21/03/725222103.db2.gz PHZZEEAAFHQRSJ-ZSAUSMIDSA-N 2 0 252.402 1.861 10 0 CDAERP CCC[C@@H](C)C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863641885 723700289 /nfs/dbraw/zinc/70/02/89/723700289.db2.gz FRPKASXGNMQHFG-YUELXQCFSA-N 2 0 295.427 1.680 10 0 CDAERP CS(=O)(=O)CCCCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925645494 723701969 /nfs/dbraw/zinc/70/19/69/723701969.db2.gz REQAFFRAMBFMIC-CYBMUJFWSA-N 2 0 288.457 1.466 10 0 CDAERP C[NH+](C)C1(CN[C@@H]2CC[NH2+]C23CCCC3)CCC1 ZINC000925645621 723717807 /nfs/dbraw/zinc/71/78/07/723717807.db2.gz RHTPUQXVTZLJIM-CYBMUJFWSA-N 2 0 251.418 1.735 10 0 CDAERP C[NH+](C)CC1(CN[C@@H]2C[C@@H]([NH3+])C23CCC3)CCCC1 ZINC000925639028 723757031 /nfs/dbraw/zinc/75/70/31/723757031.db2.gz ISAYLDLTLMISDG-ZIAGYGMSSA-N 2 0 265.445 1.968 10 0 CDAERP Cc1nccn1CC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925534890 723765273 /nfs/dbraw/zinc/76/52/73/723765273.db2.gz RBEAQCJIYHKJPQ-CHWSQXEVSA-N 2 0 250.390 1.687 10 0 CDAERP CC[C@H]1CCCC[N@@H+]1CCNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870886742 723766344 /nfs/dbraw/zinc/76/63/44/723766344.db2.gz QSYBDYGYMOBTKQ-CKDBGZEDSA-N 2 0 293.455 1.899 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCNc2ncccn2)[C@@H]2CCC[C@H]21 ZINC000796794420 723773892 /nfs/dbraw/zinc/77/38/92/723773892.db2.gz UAMZURZRIRVDJP-SOUVJXGZSA-N 2 0 289.427 1.741 10 0 CDAERP [NH3+][C@H](CCN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)Cc1ccccc1 ZINC000925724420 723778539 /nfs/dbraw/zinc/77/85/39/723778539.db2.gz AUDCTRRHYNWKAO-KHHDSSOXSA-N 2 0 285.435 1.533 10 0 CDAERP NC(=O)C1CC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000716775259 723779039 /nfs/dbraw/zinc/77/90/39/723779039.db2.gz OMZNCTWGWVDJOO-YTPFDHIKSA-N 2 0 265.401 1.151 10 0 CDAERP CNC(=O)c1cccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923495984 723780709 /nfs/dbraw/zinc/78/07/09/723780709.db2.gz GJIFMUMDGFRFOL-WFASDCNBSA-N 2 0 275.396 1.463 10 0 CDAERP CN(C(=O)CC[NH2+]CC1CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870937864 723814924 /nfs/dbraw/zinc/81/49/24/723814924.db2.gz BVKXBDQEYDGTDV-PBWFPOADSA-N 2 0 265.401 1.118 10 0 CDAERP C[N@@H+]1C[C@@H]2C[NH+](CC[C@H](O)c3ccccc3)C[C@]2(C)C1 ZINC000702253642 723818331 /nfs/dbraw/zinc/81/83/31/723818331.db2.gz NTFDMVCAQNRXFA-IKGGRYGDSA-N 2 0 274.408 1.994 10 0 CDAERP C[NH+](C)C1(C)CCC(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000825374291 723858032 /nfs/dbraw/zinc/85/80/32/723858032.db2.gz JAMGYQWCINSCNT-VQCLRJIVSA-N 2 0 281.444 1.707 10 0 CDAERP FC1(F)CC[NH2+]C[C@H]1C[NH2+][C@@H]1CCC12CCOCC2 ZINC000925777477 723992013 /nfs/dbraw/zinc/99/20/13/723992013.db2.gz PEGVJZYXPCBCJG-NWDGAFQWSA-N 2 0 274.355 1.780 10 0 CDAERP COCCN1CCC[C@@H]1C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925475672 724031198 /nfs/dbraw/zinc/03/11/98/724031198.db2.gz GTTMEACBKYNADK-SOUVJXGZSA-N 2 0 283.460 1.593 10 0 CDAERP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](CCC2CCC2)C1 ZINC000866711358 724055331 /nfs/dbraw/zinc/05/53/31/724055331.db2.gz IZWMAGYXUXQJDA-HZSPNIEDSA-N 2 0 279.384 1.044 10 0 CDAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1ccccn1)CC2 ZINC000923451453 724057390 /nfs/dbraw/zinc/05/73/90/724057390.db2.gz NXEFRLRQPQSBGV-CQSZACIVSA-N 2 0 261.369 1.411 10 0 CDAERP C[N@H+](C[C@H](O)CC(F)(F)F)C1(C[NH3+])CCCCC1 ZINC000713295671 724062370 /nfs/dbraw/zinc/06/23/70/724062370.db2.gz LNRXLJFAJDUADW-SNVBAGLBSA-N 2 0 268.323 1.893 10 0 CDAERP Cc1cc(N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)nc(N)[nH+]1 ZINC000167682467 724169340 /nfs/dbraw/zinc/16/93/40/724169340.db2.gz WFDOFSNZNPTEDW-NEPJUHHUSA-N 2 0 261.373 1.288 10 0 CDAERP CC(C)(O)C[C@@H](O)C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000872207590 724200341 /nfs/dbraw/zinc/20/03/41/724200341.db2.gz UEOSGFRBCNJNJC-CYBMUJFWSA-N 2 0 272.433 1.220 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000841856609 724251435 /nfs/dbraw/zinc/25/14/35/724251435.db2.gz XTDGAJZTTOXBIU-DNDYEEKYSA-N 2 0 296.459 1.818 10 0 CDAERP CC(C)[C@H]1COCC[C@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000925713269 724314395 /nfs/dbraw/zinc/31/43/95/724314395.db2.gz XAYPEUQXOQGTLG-HUUCEWRRSA-N 2 0 252.402 1.899 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](C[C@H]2CCC3(COC3)O2)CC1 ZINC000929276119 724361016 /nfs/dbraw/zinc/36/10/16/724361016.db2.gz ORVBJMPBBQFVTP-MRXNPFEDSA-N 2 0 296.455 1.988 10 0 CDAERP CC(C)[C@@H]1COCC[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000924752522 725052070 /nfs/dbraw/zinc/05/20/70/725052070.db2.gz BESHMNMHIKSLFN-SOUVJXGZSA-N 2 0 270.417 1.094 10 0 CDAERP CCc1ccc([C@@H](O)C[NH2+][C@@H](CCC[NH3+])COC)cc1 ZINC000817929184 725057704 /nfs/dbraw/zinc/05/77/04/725057704.db2.gz KPEPGBAXWNGUBQ-HOTGVXAUSA-N 2 0 280.412 1.626 10 0 CDAERP C[C@@H](CNC(=O)C=C1CC[NH2+]CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000852858815 725058561 /nfs/dbraw/zinc/05/85/61/725058561.db2.gz IGSNLDPDKNFOEO-KBPBESRZSA-N 2 0 279.428 1.533 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)N2CCCC2)[C@@H](C)C1 ZINC000838894585 725096754 /nfs/dbraw/zinc/09/67/54/725096754.db2.gz HVOCXGFGFDJQHJ-LSDHHAIUSA-N 2 0 281.444 1.661 10 0 CDAERP Nc1cc[nH+]c(CN[C@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000925766735 725144296 /nfs/dbraw/zinc/14/42/96/725144296.db2.gz LRINBCYEFHFLQU-CABCVRRESA-N 2 0 254.337 1.898 10 0 CDAERP COCC[NH2+]C1CCN(C[C@@H](O)CC2CCCC2)CC1 ZINC000923388764 725159974 /nfs/dbraw/zinc/15/99/74/725159974.db2.gz REWUTZYKCFNYQE-INIZCTEOSA-N 2 0 284.444 1.628 10 0 CDAERP [NH3+]CCCOC1CC[NH+](C[C@H]2CC3(CCC3)CO2)CC1 ZINC000872141709 725170762 /nfs/dbraw/zinc/17/07/62/725170762.db2.gz PDAYAQCGFMTGGS-OAHLLOKOSA-N 2 0 282.428 1.775 10 0 CDAERP CC[C@@H]1CCN(C(=[NH2+])NC[C@H](C)C[NH+]2CCCC2)C1 ZINC000864454171 725174103 /nfs/dbraw/zinc/17/41/03/725174103.db2.gz IINDEMALQHEPSX-UONOGXRCSA-N 2 0 266.433 1.975 10 0 CDAERP CCC[NH+](CCC)CCCNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000848996021 725177648 /nfs/dbraw/zinc/17/76/48/725177648.db2.gz BDXWSVJSFSVLHL-AWEZNQCLSA-N 2 0 284.448 1.791 10 0 CDAERP CS[C@H](CO)[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925610389 725184313 /nfs/dbraw/zinc/18/43/13/725184313.db2.gz DKNXYZBTUGDCLP-FIQHERPVSA-N 2 0 260.447 1.594 10 0 CDAERP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccc(OCC(N)=O)cc1 ZINC000853247638 725195106 /nfs/dbraw/zinc/19/51/06/725195106.db2.gz VWQAYCBVIBMAGZ-CQSZACIVSA-N 2 0 279.384 1.014 10 0 CDAERP CN(CCCCCCC[NH3+])[C@@H](C[NH3+])C(F)(F)F ZINC000852762430 725205593 /nfs/dbraw/zinc/20/55/93/725205593.db2.gz NELDEJSPVSSBPV-JTQLQIEISA-N 2 0 255.328 1.717 10 0 CDAERP C[NH+](C)Cc1cccc(C[NH2+]C[C@@H](O)CC(C)(C)O)c1 ZINC000872198552 725208504 /nfs/dbraw/zinc/20/85/04/725208504.db2.gz QPVIKSGMVFTGHR-HNNXBMFYSA-N 2 0 280.412 1.360 10 0 CDAERP C(CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)CCN1CC[NH2+]CC1 ZINC000925846280 725212831 /nfs/dbraw/zinc/21/28/31/725212831.db2.gz VEDSWYWAGBXANK-IAGOWNOFSA-N 3 0 294.487 1.278 10 0 CDAERP C[N@@H+]1CCC[C@H](CNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000810369265 725213826 /nfs/dbraw/zinc/21/38/26/725213826.db2.gz QASMXMRMOCUAMD-CZUORRHYSA-N 2 0 299.434 1.657 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCN[C@H]1CC[NH2+]C12CCC2 ZINC000925550475 725225250 /nfs/dbraw/zinc/22/52/50/725225250.db2.gz MVWYQYZKEDTFCK-KBPBESRZSA-N 2 0 251.418 1.735 10 0 CDAERP [NH3+][C@@H]1CN(CCC[NH2+]C2CC2)CC[C@H]1C(F)(F)F ZINC000923431741 725253824 /nfs/dbraw/zinc/25/38/24/725253824.db2.gz XHJSHYSPCOJNQG-GHMZBOCLSA-N 2 0 265.323 1.340 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC2CCC1CC2 ZINC000924994487 725274025 /nfs/dbraw/zinc/27/40/25/725274025.db2.gz UQVKMMACJYGVNP-PRLABOORSA-N 2 0 265.445 1.791 10 0 CDAERP C[C@H]1C[N@H+](CC(=O)NC(C2CC2)C2CC2)CC[C@H]1C[NH3+] ZINC000923501862 725278712 /nfs/dbraw/zinc/27/87/12/725278712.db2.gz WHAWIOHMAUTHLJ-FZMZJTMJSA-N 2 0 279.428 1.208 10 0 CDAERP C[C@@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)Cn1cccn1 ZINC000858101876 725296692 /nfs/dbraw/zinc/29/66/92/725296692.db2.gz JCGQUTNSMYNWIB-KBPBESRZSA-N 2 0 264.417 1.982 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCCC[NH+]2CCCCCC2)C1 ZINC000872274958 725298332 /nfs/dbraw/zinc/29/83/32/725298332.db2.gz IGXSVGKOMGDQDT-SQWLQELKSA-N 2 0 279.428 1.496 10 0 CDAERP COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1CCC[NH2+]C1CC1 ZINC000923374413 725301332 /nfs/dbraw/zinc/30/13/32/725301332.db2.gz WZOSQVNRNSUBOF-UBHSHLNASA-N 2 0 266.385 1.402 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C2CCN([C@@H]3CCOC3)CC2)C1 ZINC000925705776 725306565 /nfs/dbraw/zinc/30/65/65/725306565.db2.gz IDVHSZKQZMYUGD-FVQBIDKESA-N 3 0 295.471 1.735 10 0 CDAERP COC(CC[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)OC ZINC000851763376 725332874 /nfs/dbraw/zinc/33/28/74/725332874.db2.gz RFDFMYLPYGTERE-HNNXBMFYSA-N 2 0 299.459 1.097 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000852878518 725351169 /nfs/dbraw/zinc/35/11/69/725351169.db2.gz PJOZNTHQOIIIJC-HOCLYGCPSA-N 2 0 281.444 1.600 10 0 CDAERP CC(C)[NH2+]CCC(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000841847617 725361899 /nfs/dbraw/zinc/36/18/99/725361899.db2.gz CGASMJWODIWJJQ-UHFFFAOYSA-N 2 0 275.396 1.813 10 0 CDAERP CN1C[C@@H](CC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1=O ZINC000922484256 725381251 /nfs/dbraw/zinc/38/12/51/725381251.db2.gz IEULDRYPPLKDEA-ZDUSSCGKSA-N 2 0 299.378 1.225 10 0 CDAERP COc1ccc(C[N@H+](C)C[C@@H]2CC3(C[NH2+]C3)CO2)cc1O ZINC000923308994 725398080 /nfs/dbraw/zinc/39/80/80/725398080.db2.gz HIECWRPBJBBLKC-ZDUSSCGKSA-N 2 0 292.379 1.211 10 0 CDAERP Cn1ccc(C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)cc1=O ZINC000866702364 725401920 /nfs/dbraw/zinc/40/19/20/725401920.db2.gz BDAGRJFRBJDDDV-MRXNPFEDSA-N 2 0 277.412 1.582 10 0 CDAERP C[NH+](C)C[C@]1(O)CCC[N@H+](CCCc2cccnc2)C1 ZINC000930905053 725403674 /nfs/dbraw/zinc/40/36/74/725403674.db2.gz YSTUGKSURGWKDO-MRXNPFEDSA-N 2 0 277.412 1.403 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCOC2=O)[C@@H]2CCC[C@H]21 ZINC000872111253 725403861 /nfs/dbraw/zinc/40/38/61/725403861.db2.gz BOGPFYDEJDUXLO-CBBWQLFWSA-N 2 0 280.412 1.792 10 0 CDAERP O=C1CCCN1CCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925516468 725405281 /nfs/dbraw/zinc/40/52/81/725405281.db2.gz UTIVTIZHKJTXSS-CYBMUJFWSA-N 2 0 265.401 1.263 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](C[C@H](O)C2CC2)CC1 ZINC000838792774 725406084 /nfs/dbraw/zinc/40/60/84/725406084.db2.gz YQKVFFHXNWBYFG-HNNXBMFYSA-N 2 0 254.418 1.811 10 0 CDAERP C[NH+]1CCC(C)(CNC(=[NH2+])NCCC2CC2)CC1 ZINC000864463045 725407699 /nfs/dbraw/zinc/40/76/99/725407699.db2.gz QKHKCBOFDBYPDQ-UHFFFAOYSA-N 2 0 252.406 1.632 10 0 CDAERP C[C@H](Cn1cncn1)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925512031 725408859 /nfs/dbraw/zinc/40/88/59/725408859.db2.gz YQNHWEVWYGBRDO-UTUOFQBUSA-N 2 0 251.378 1.162 10 0 CDAERP CC[NH+](CC)CCNC(=O)C(C)(C)[C@@H]([NH3+])C(C)C ZINC000713114194 725409890 /nfs/dbraw/zinc/40/98/90/725409890.db2.gz VJNVUOSPOHKIMQ-LBPRGKRZSA-N 2 0 257.422 1.454 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](CCC(=O)N(C)OC)CC1 ZINC000799113779 725417352 /nfs/dbraw/zinc/41/73/52/725417352.db2.gz LGLYHSSCUTXOKX-UHFFFAOYSA-N 2 0 285.432 1.450 10 0 CDAERP CC[NH+](CC)CCCNC(=O)C(C)(C)[C@@H]([NH3+])C(C)C ZINC000712990049 725426321 /nfs/dbraw/zinc/42/63/21/725426321.db2.gz NQNHINDFAWOTPL-ZDUSSCGKSA-N 2 0 271.449 1.844 10 0 CDAERP COc1nccc(C[NH2+]C2CCC(C)([NH+](C)C)CC2)n1 ZINC000715552337 725426572 /nfs/dbraw/zinc/42/65/72/725426572.db2.gz NSDMZTIPCQNGBG-UHFFFAOYSA-N 2 0 278.400 1.838 10 0 CDAERP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CC[NH2+]CC1CC1 ZINC000717181257 725438648 /nfs/dbraw/zinc/43/86/48/725438648.db2.gz IVIFVWQBMPBHIL-DZGCQCFKSA-N 2 0 279.428 1.461 10 0 CDAERP OCC1(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CCC1 ZINC000925647925 725450240 /nfs/dbraw/zinc/45/02/40/725450240.db2.gz KJBKRUQGZPSSEI-LSDHHAIUSA-N 2 0 266.429 1.907 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)C=C2CC[NH2+]CC2)C[C@H]1C ZINC000852869610 725463651 /nfs/dbraw/zinc/46/36/51/725463651.db2.gz CQEISMGNVILRTN-UKRRQHHQSA-N 2 0 279.428 1.627 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)N(C)OC)[C@@H](C)C1 ZINC000799139804 725470558 /nfs/dbraw/zinc/47/05/58/725470558.db2.gz LLMISCGNWWTDTG-STQMWFEESA-N 2 0 271.405 1.058 10 0 CDAERP CC(C)(O)C[N@@H+]1CC[C@H](N[C@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000865660534 725481812 /nfs/dbraw/zinc/48/18/12/725481812.db2.gz UNZVFCMENXHUTK-KKUMJFAQSA-N 2 0 281.444 1.048 10 0 CDAERP [NH3+]CCCCCCNC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000852894657 725494913 /nfs/dbraw/zinc/49/49/13/725494913.db2.gz MILSJKYPEZHAKJ-UHFFFAOYSA-N 2 0 294.399 1.391 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)CCC2(O)CCC2)C1 ZINC000929778367 725498033 /nfs/dbraw/zinc/49/80/33/725498033.db2.gz HUQBLKHSSYJGMT-HOTGVXAUSA-N 2 0 298.471 1.706 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000870954700 725592962 /nfs/dbraw/zinc/59/29/62/725592962.db2.gz FQCHPMGQDIHZCJ-ZOMKSWQUSA-N 2 0 291.439 1.637 10 0 CDAERP COC(=O)C1=CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000858469826 725632781 /nfs/dbraw/zinc/63/27/81/725632781.db2.gz ABFMHSSBKTYAIU-XQLPTFJDSA-N 2 0 278.396 1.711 10 0 CDAERP Cc1nn(C)c(C)c1NC(=O)C[N@H+](C)CCCCCC[NH3+] ZINC000872155846 725636367 /nfs/dbraw/zinc/63/63/67/725636367.db2.gz YHEZELRZJIUUDW-UHFFFAOYSA-N 2 0 295.431 1.426 10 0 CDAERP C[N@@H+]1CCC[C@H](CCNC(=[NH2+])NC[C@@H]2CCCO2)C1 ZINC000849041514 725679450 /nfs/dbraw/zinc/67/94/50/725679450.db2.gz RNSKBZWKJMTSBC-OLZOCXBDSA-N 2 0 268.405 1.011 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(F)nc2C)CC1 ZINC000785418069 725901813 /nfs/dbraw/zinc/90/18/13/725901813.db2.gz QXAMJKBKDHYFFS-CYBMUJFWSA-N 2 0 294.418 1.645 10 0 CDAERP CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)nc1 ZINC000923496829 725902902 /nfs/dbraw/zinc/90/29/02/725902902.db2.gz BWEVSLLYZGLTQH-OLZOCXBDSA-N 2 0 263.385 1.897 10 0 CDAERP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CCO[C@@H]3CCOC3)C2)C1 ZINC000923387695 725923424 /nfs/dbraw/zinc/92/34/24/725923424.db2.gz JZARCCKKTLJWBZ-FPCVCCKLSA-N 2 0 298.427 1.010 10 0 CDAERP C([C@@H]1CCC2(CCC2)CO1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515802 725970054 /nfs/dbraw/zinc/97/00/54/725970054.db2.gz MOTJGKQMTKCMQV-ZNMIVQPWSA-N 2 0 264.413 1.877 10 0 CDAERP COCc1nc(CN2CC[C@H](C[NH3+])[C@@H](C)C2)cs1 ZINC000923496955 725973438 /nfs/dbraw/zinc/97/34/38/725973438.db2.gz CUQIAUPEGNGJGU-WDEREUQCSA-N 2 0 269.414 1.706 10 0 CDAERP C[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)C1CCOCC1 ZINC000925843663 725977155 /nfs/dbraw/zinc/97/71/55/725977155.db2.gz GDMXKDAEKCVIIW-HNNXBMFYSA-N 2 0 283.460 1.467 10 0 CDAERP COC[C@@]1(C)C[N@H+](CCCCCCC[NH3+])CCO1 ZINC000863576886 725984976 /nfs/dbraw/zinc/98/49/76/725984976.db2.gz UESHTJXQHXPGEB-CQSZACIVSA-N 2 0 258.406 1.633 10 0 CDAERP COCC[N@H+](C)CCCNCc1ccnc(F)c1 ZINC000858096805 725986537 /nfs/dbraw/zinc/98/65/37/725986537.db2.gz PIKHAQAXDHMXLA-UHFFFAOYSA-N 2 0 255.337 1.279 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000870994771 725989155 /nfs/dbraw/zinc/98/91/55/725989155.db2.gz UZEQLUNDPSKWCU-DOMZBBRYSA-N 2 0 267.417 1.337 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)CC[C@@H]2CC[NH2+]C2)C1 ZINC000870992010 725991034 /nfs/dbraw/zinc/99/10/34/725991034.db2.gz HMXWLYHHXNCBDT-CJNGLKHVSA-N 2 0 281.444 1.600 10 0 CDAERP CN(C(=O)CCC12CC(C1)C[NH2+]2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870937871 726000271 /nfs/dbraw/zinc/00/02/71/726000271.db2.gz BZEXGRHGKHLPPW-RXIZABGUSA-N 2 0 277.412 1.260 10 0 CDAERP COC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)[C@H]1CCCO1 ZINC000925653778 726007091 /nfs/dbraw/zinc/00/70/91/726007091.db2.gz OAQODPZZPKQRFV-QNWHQSFQSA-N 2 0 254.374 1.040 10 0 CDAERP COCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+](C)C ZINC001490804915 1164865818 /nfs/dbraw/zinc/86/58/18/1164865818.db2.gz ADPOGAYOVKXYQW-GASCZTMLSA-N 2 0 297.443 1.040 10 0 CDAERP CC[C@H](C(=O)N(C)CC[NH2+]CC1CCC1)[NH+](C)C ZINC001317598968 1167460071 /nfs/dbraw/zinc/46/00/71/1167460071.db2.gz NGLWWXVWJSMIPW-CYBMUJFWSA-N 2 0 255.406 1.175 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CCOC(C)C)C1 ZINC001502754492 1167775075 /nfs/dbraw/zinc/77/50/75/1167775075.db2.gz RQUYBZFDFOXXCV-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP CCC[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001567047330 1168045182 /nfs/dbraw/zinc/04/51/82/1168045182.db2.gz BKUFNDROMCBDNO-AVGNSLFASA-N 2 0 255.406 1.221 10 0 CDAERP CCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001567045678 1168528859 /nfs/dbraw/zinc/52/88/59/1168528859.db2.gz IEKDDZBAADOXQP-ZIAGYGMSSA-N 2 0 269.433 1.613 10 0 CDAERP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001567102685 1168562410 /nfs/dbraw/zinc/56/24/10/1168562410.db2.gz AXFNMNDBLVSBND-XHPSBEMXSA-N 2 0 281.444 1.875 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001483737762 913377532 /nfs/dbraw/zinc/37/75/32/913377532.db2.gz DCGGBANXCISJSL-AWEZNQCLSA-N 2 0 281.444 1.899 10 0 CDAERP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000724537072 894625178 /nfs/dbraw/zinc/62/51/78/894625178.db2.gz WPKZZHSKDAURQZ-RFGFWPKPSA-N 2 0 265.401 1.199 10 0 CDAERP C[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)CC[C@H]1C[NH3+] ZINC000693053466 894955296 /nfs/dbraw/zinc/95/52/96/894955296.db2.gz DRFCEBFFQRYRLM-HZSPNIEDSA-N 2 0 256.390 1.099 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CCC2CC2)C1 ZINC001266639967 895663193 /nfs/dbraw/zinc/66/31/93/895663193.db2.gz KNRYMIRGLDFNMP-HDJSIYSDSA-N 2 0 267.417 1.364 10 0 CDAERP CN(CC[NH2+]Cc1ccns1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001266808409 896091773 /nfs/dbraw/zinc/09/17/73/896091773.db2.gz HXXJNSPPEIAINY-ZDUSSCGKSA-N 2 0 296.440 1.175 10 0 CDAERP CCCC[NH2+][C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001266967425 896464813 /nfs/dbraw/zinc/46/48/13/896464813.db2.gz FMFPPKGHQJXDIB-GFCCVEGCSA-N 2 0 255.406 1.223 10 0 CDAERP CC[C@H](C(=O)N(C)CC[NH2+]CCc1ccccc1)[NH+](C)C ZINC001266988614 896503965 /nfs/dbraw/zinc/50/39/65/896503965.db2.gz LQXDEFUCGDEPKY-MRXNPFEDSA-N 2 0 291.439 1.617 10 0 CDAERP CCCC[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001567556135 1168851909 /nfs/dbraw/zinc/85/19/09/1168851909.db2.gz QZMILBXBKPXHLG-CYBMUJFWSA-N 2 0 257.422 1.421 10 0 CDAERP CC[N@@H+](CC=C(C)C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001267241968 897297971 /nfs/dbraw/zinc/29/79/71/897297971.db2.gz RAHADLFDRLACHM-HUUCEWRRSA-N 2 0 281.444 1.731 10 0 CDAERP COCCC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001267306100 897546022 /nfs/dbraw/zinc/54/60/22/897546022.db2.gz DKDOAKGKXFZDMP-HUUCEWRRSA-N 2 0 299.459 1.047 10 0 CDAERP CC[NH2+]CCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001267436078 897903386 /nfs/dbraw/zinc/90/33/86/897903386.db2.gz HKQKLVMOBOOADG-ZDUSSCGKSA-N 2 0 255.406 1.319 10 0 CDAERP CC(C)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001267456015 897931629 /nfs/dbraw/zinc/93/16/29/897931629.db2.gz JWRDFSJUIROFSX-CABCVRRESA-N 2 0 283.460 1.811 10 0 CDAERP C[N@H+](CCNC(=O)C[NH+]1CCCC1)Cc1ccsc1 ZINC001480947151 898068973 /nfs/dbraw/zinc/06/89/73/898068973.db2.gz KLKFOYRMPAEPAW-UHFFFAOYSA-N 2 0 281.425 1.392 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCCN1C(=O)CC[N@H+](C)CC ZINC001483951195 915235831 /nfs/dbraw/zinc/23/58/31/915235831.db2.gz XUXPZQLBZXPDMU-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP CC[N@@H+](CC=C(C)C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001480997822 898450734 /nfs/dbraw/zinc/45/07/34/898450734.db2.gz MKXCXHFJSCHSRP-UHFFFAOYSA-N 2 0 281.444 1.733 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001481108849 898870922 /nfs/dbraw/zinc/87/09/22/898870922.db2.gz GGKPYECEAZYEGW-HNNXBMFYSA-N 2 0 295.471 1.957 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@@H+](C/C=C\Cl)C1 ZINC001481125004 898936664 /nfs/dbraw/zinc/93/66/64/898936664.db2.gz ZKOSQXVNPGATQW-HSBHDXMMSA-N 2 0 285.819 1.273 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001267725975 899400951 /nfs/dbraw/zinc/40/09/51/899400951.db2.gz KXCNOYQQFVTKIQ-AWEZNQCLSA-N 2 0 279.428 1.627 10 0 CDAERP CC[C@@H](F)C[NH2+]CCN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001481246834 899631939 /nfs/dbraw/zinc/63/19/39/899631939.db2.gz ZNNJQACUVLCIIH-VXGBXAGGSA-N 2 0 261.385 1.123 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CC[NH2+]CC)C1 ZINC001481270314 899776938 /nfs/dbraw/zinc/77/69/38/899776938.db2.gz WGUVULMFGFEJNL-CYBMUJFWSA-N 2 0 255.406 1.176 10 0 CDAERP CC(C)=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001267932052 899999197 /nfs/dbraw/zinc/99/91/97/899999197.db2.gz CAAHWIDSDRGVMN-JYJNAYRXSA-N 2 0 293.455 1.921 10 0 CDAERP CO[C@@H](C)C[NH2+][C@H](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001481343528 900460689 /nfs/dbraw/zinc/46/06/89/900460689.db2.gz UQKBEPSNPMWMRL-UONOGXRCSA-N 2 0 299.459 1.190 10 0 CDAERP O=C1OCC[C@@H]1[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000692874680 900869312 /nfs/dbraw/zinc/86/93/12/900869312.db2.gz WWTMWCBBBLTIOO-STQMWFEESA-N 2 0 252.358 1.014 10 0 CDAERP CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001268204284 901563991 /nfs/dbraw/zinc/56/39/91/901563991.db2.gz HTQONIIAWHTGRH-STQMWFEESA-N 2 0 255.406 1.221 10 0 CDAERP CCC[NH+]1CC(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001481668970 901763701 /nfs/dbraw/zinc/76/37/01/901763701.db2.gz ASTWVKXMMWJUFE-HNNXBMFYSA-N 2 0 281.444 1.565 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001481728644 901958831 /nfs/dbraw/zinc/95/88/31/901958831.db2.gz YTLOMHJKBSIJKY-KBPBESRZSA-N 2 0 267.417 1.413 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C)CC[NH2+]CC(C)C)[NH+](C)C ZINC001268412578 902024147 /nfs/dbraw/zinc/02/41/47/902024147.db2.gz ABMKGHOISHIXKX-OLZOCXBDSA-N 2 0 257.422 1.467 10 0 CDAERP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001481847324 902213280 /nfs/dbraw/zinc/21/32/80/902213280.db2.gz COGKBWWNZKSNCJ-ZIAGYGMSSA-N 2 0 299.459 1.238 10 0 CDAERP CC[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]C(C)C ZINC001481867343 902242519 /nfs/dbraw/zinc/24/25/19/902242519.db2.gz BHTIZGYLYCQIRB-QWHCGFSZSA-N 2 0 255.406 1.221 10 0 CDAERP CC[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]C(C)C ZINC001481867187 902243341 /nfs/dbraw/zinc/24/33/41/902243341.db2.gz BHTIZGYLYCQIRB-OLZOCXBDSA-N 2 0 255.406 1.221 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001482065465 902585046 /nfs/dbraw/zinc/58/50/46/902585046.db2.gz BRNBKJHDXNXADL-KGLIPLIRSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)OCC[NH2+]C/C=C/CNC(=O)C1CC[NH+](C)CC1 ZINC001268586553 902687441 /nfs/dbraw/zinc/68/74/41/902687441.db2.gz DZYKXUIIKHVDSX-SNAWJCMRSA-N 2 0 297.443 1.015 10 0 CDAERP CC(C)[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001268595121 902728263 /nfs/dbraw/zinc/72/82/63/902728263.db2.gz HBMNYNGMDMTHKK-LQYUOIDQSA-N 2 0 281.444 1.920 10 0 CDAERP CCCCCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268682184 902955709 /nfs/dbraw/zinc/95/57/09/902955709.db2.gz LETJUTUPIFNFMV-UONOGXRCSA-N 2 0 269.433 1.755 10 0 CDAERP CN(CCC[NH2+]C/C=C\Cl)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268784073 903127101 /nfs/dbraw/zinc/12/71/01/903127101.db2.gz QSWKRIKXVSZRJV-DJFZKKHWSA-N 2 0 273.808 1.271 10 0 CDAERP CN(CCC[NH2+]CCF)C(=O)C12CCC[NH+]1CCC2 ZINC001268804562 903141423 /nfs/dbraw/zinc/14/14/23/903141423.db2.gz FKSIEXDWDVMZRU-UHFFFAOYSA-N 2 0 271.380 1.022 10 0 CDAERP C[C@H](F)CC[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268803275 903142631 /nfs/dbraw/zinc/14/26/31/903142631.db2.gz YGLXOFRGFMRKES-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CCC/C=C/CC[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001268906049 903231319 /nfs/dbraw/zinc/23/13/19/903231319.db2.gz JMSHIECAKMCINI-SQRWCISFSA-N 2 0 293.455 1.733 10 0 CDAERP CC(C)=CC[NH2+]C1(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001483767175 914733033 /nfs/dbraw/zinc/73/30/33/914733033.db2.gz CBLXAOLBOSMGRT-CQSZACIVSA-N 2 0 279.428 1.533 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001269297462 903668701 /nfs/dbraw/zinc/66/87/01/903668701.db2.gz YVCQDCWFLNEECQ-AWEZNQCLSA-N 2 0 269.433 1.515 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001270458690 904654760 /nfs/dbraw/zinc/65/47/60/904654760.db2.gz VCQBAGWFZICMAS-UONOGXRCSA-N 2 0 267.417 1.223 10 0 CDAERP CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001280263354 904868297 /nfs/dbraw/zinc/86/82/97/904868297.db2.gz GAIZTZZTQREVGG-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001364024293 905136711 /nfs/dbraw/zinc/13/67/11/905136711.db2.gz JCTXZFHOMSJJDT-RRFJBIMHSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001271710642 906612066 /nfs/dbraw/zinc/61/20/66/906612066.db2.gz BMUCQLLIPGOGDZ-CVEARBPZSA-N 2 0 295.471 1.812 10 0 CDAERP CC(C)[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]CCF ZINC001482535841 906909110 /nfs/dbraw/zinc/90/91/10/906909110.db2.gz GRSMHKPCYZMCEH-KGLIPLIRSA-N 2 0 287.423 1.561 10 0 CDAERP CC[NH2+]CC[C@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001482841981 908418937 /nfs/dbraw/zinc/41/89/37/908418937.db2.gz RLWBSINXPDGETI-STQMWFEESA-N 2 0 255.406 1.365 10 0 CDAERP CC(C)=CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001482990641 908656117 /nfs/dbraw/zinc/65/61/17/908656117.db2.gz FVVZUQQDXBQKQX-WSNITJDQSA-N 2 0 265.401 1.309 10 0 CDAERP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C[NH2+]CC1CC1 ZINC001325584022 921434619 /nfs/dbraw/zinc/43/46/19/921434619.db2.gz YMOJKSBQQYBNNG-ZBFHGGJFSA-N 2 0 295.471 1.812 10 0 CDAERP CC(C)CC[NH2+]C/C=C\CNC(=O)C[NH+]1CCCC1 ZINC001483092507 909322400 /nfs/dbraw/zinc/32/24/00/909322400.db2.gz GGPXBPJRKOKIQW-ARJAWSKDSA-N 2 0 267.417 1.390 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1nccs1 ZINC001409459988 910417457 /nfs/dbraw/zinc/41/74/57/910417457.db2.gz HYCWRGLTRLMKGF-VXGBXAGGSA-N 2 0 298.456 1.466 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccc(CF)cc1)NC(=O)CC[NH+](C)C ZINC001483262126 910757899 /nfs/dbraw/zinc/75/78/99/910757899.db2.gz TXKMPOFXUZUTHN-ZDUSSCGKSA-N 2 0 295.402 1.702 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1([NH2+]CCC2CC2)CC1 ZINC001483793468 915074745 /nfs/dbraw/zinc/07/47/45/915074745.db2.gz FZQOSKIINYENKG-OKILXGFUSA-N 2 0 293.455 1.898 10 0 CDAERP CC(C)[C@H](C(=O)N1CCC[C@H]1C[NH2+]CCC1CC1)[NH+](C)C ZINC001483942990 915216122 /nfs/dbraw/zinc/21/61/22/915216122.db2.gz PVZAOAVKHLDMPS-JKSUJKDBSA-N 2 0 295.471 1.953 10 0 CDAERP O=C(NCC1([NH2+]CCF)CCC1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001484654697 916001538 /nfs/dbraw/zinc/00/15/38/916001538.db2.gz VATAKFNRTDUMSH-UONOGXRCSA-N 2 0 297.418 1.601 10 0 CDAERP CCCC[NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCO1 ZINC001484679492 916032822 /nfs/dbraw/zinc/03/28/22/916032822.db2.gz CGXOEFZWOAXHHS-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP CCCCC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001484699357 916044373 /nfs/dbraw/zinc/04/43/73/916044373.db2.gz OLVUMJKCXTZDRX-HNNXBMFYSA-N 2 0 297.443 1.089 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](C/C=C/Cl)CC1 ZINC001484723115 916082336 /nfs/dbraw/zinc/08/23/36/916082336.db2.gz LVLAVWHHHHXXJF-GBVBUYCNSA-N 2 0 287.835 1.661 10 0 CDAERP CCC1([NH2+]C[C@H](C)O)CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001484820447 916190354 /nfs/dbraw/zinc/19/03/54/916190354.db2.gz SJMVWYOVANNEOQ-AWEZNQCLSA-N 2 0 299.459 1.068 10 0 CDAERP CC(C)[NH2+][C@H](C)[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001485211699 916677797 /nfs/dbraw/zinc/67/77/97/916677797.db2.gz IYUOZNQIUBNARN-KGLIPLIRSA-N 2 0 295.471 2.000 10 0 CDAERP CCCC[C@H](C[NH2+]C(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001485462255 916994468 /nfs/dbraw/zinc/99/44/68/916994468.db2.gz WFYIIORLBZXERU-KGLIPLIRSA-N 2 0 269.433 1.754 10 0 CDAERP CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001485577311 917104122 /nfs/dbraw/zinc/10/41/22/917104122.db2.gz MILBSJPZYDJMFQ-GFCCVEGCSA-N 2 0 255.406 1.175 10 0 CDAERP CC[N@H+](C)CCOCCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001485776705 917257386 /nfs/dbraw/zinc/25/73/86/917257386.db2.gz MIOKDWYWSNAQOW-HNNXBMFYSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@@H]1C[NH2+]C[C@@H](Nc2ccc3c(c2)C[NH2+]CCO3)C1 ZINC000843126395 919756594 /nfs/dbraw/zinc/75/65/94/919756594.db2.gz PZGQGEOLSMDVHC-FZMZJTMJSA-N 2 0 261.369 1.579 10 0 CDAERP CCOCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001568273704 1169217831 /nfs/dbraw/zinc/21/78/31/1169217831.db2.gz PAOXUBVMXPYVHI-SOUVJXGZSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH2+]C[C@@H]1CCCCO1 ZINC001276399328 936616731 /nfs/dbraw/zinc/61/67/31/936616731.db2.gz LSZSTXJHZHBLKZ-HNNXBMFYSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)[N@H+]1CC=C(CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001486509878 921087168 /nfs/dbraw/zinc/08/71/68/921087168.db2.gz FGJCNAGHCPJGBM-UHFFFAOYSA-N 2 0 279.428 1.627 10 0 CDAERP CC[C@@H](C)C[N@H+]1CC=C(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001486521066 921096157 /nfs/dbraw/zinc/09/61/57/921096157.db2.gz NZLKFDZHLBEGBN-OAHLLOKOSA-N 2 0 293.455 1.877 10 0 CDAERP CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001490982155 936837174 /nfs/dbraw/zinc/83/71/74/936837174.db2.gz KWMJPVRYSGQIQE-LSDHHAIUSA-N 2 0 281.444 1.661 10 0 CDAERP CC1CC(C[NH2+][C@H]2C[C@@H](NC(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001491025817 936843976 /nfs/dbraw/zinc/84/39/76/936843976.db2.gz OUMCXEDHTZTKPN-ZMYVRHLSSA-N 2 0 293.455 1.754 10 0 CDAERP C[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)[C@H](CCO)c1ccccc1 ZINC000923317102 923734659 /nfs/dbraw/zinc/73/46/59/923734659.db2.gz YRRQMQRPWSIDRZ-HZPDHXFCSA-N 2 0 290.407 1.420 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001410230627 925432182 /nfs/dbraw/zinc/43/21/82/925432182.db2.gz VZTMYZBRACLYBK-AAVRWANBSA-N 2 0 287.423 1.559 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@H](CNC(=O)CCc2c[nH]cn2)C1 ZINC001488831154 926728608 /nfs/dbraw/zinc/72/86/08/926728608.db2.gz KEJHUDJHCMFZMZ-CTYIDZIISA-N 2 0 290.411 1.793 10 0 CDAERP C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)CCC(F)(F)F ZINC001490163828 926999038 /nfs/dbraw/zinc/99/90/38/926999038.db2.gz DAPXJHBGCCUUIT-LLVKDONJSA-N 2 0 295.349 1.471 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001438243079 927014373 /nfs/dbraw/zinc/01/43/73/927014373.db2.gz RIZDWCGZRUOBGM-KGLIPLIRSA-N 2 0 287.423 1.609 10 0 CDAERP CC[C@@H](C)C[N@H+](CC)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001490341655 927133283 /nfs/dbraw/zinc/13/32/83/927133283.db2.gz SCDVIYPLOQDRRJ-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[N@H+](C)CCN(C(=O)[C@H]1CN(CC)CCO1)C(C)C ZINC001411201112 927222755 /nfs/dbraw/zinc/22/27/55/927222755.db2.gz GWQSCTWESBIKIO-OAHLLOKOSA-N 2 0 299.459 1.286 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CC[NH+](CCCCCF)C2)C1 ZINC001490561039 927232365 /nfs/dbraw/zinc/23/23/65/927232365.db2.gz NFYFMSAIGGWONF-HUUCEWRRSA-N 2 0 299.434 1.659 10 0 CDAERP C[C@H](CCO)CC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693679263 937249921 /nfs/dbraw/zinc/24/99/21/937249921.db2.gz HVCCVYWXNKODPW-RFQIPJPRSA-N 2 0 254.418 1.761 10 0 CDAERP CCOC(=O)C1=CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000863544345 929566372 /nfs/dbraw/zinc/56/63/72/929566372.db2.gz QZXPYZFTOGUSKX-ICIURTGMSA-N 2 0 264.369 1.511 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H](C)C[C@@H](O)c1ccccc1 ZINC000817906250 930625180 /nfs/dbraw/zinc/62/51/80/930625180.db2.gz ZBGOXGIPDJWZKM-VNQPRFMTSA-N 2 0 280.412 1.842 10 0 CDAERP CC(C)[NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001274024940 931125491 /nfs/dbraw/zinc/12/54/91/931125491.db2.gz JMTXGXQJZOFJPD-VOTSOKGWSA-N 2 0 281.444 1.921 10 0 CDAERP CC[NH2+]C/C=C/CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001274154104 931205243 /nfs/dbraw/zinc/20/52/43/931205243.db2.gz OMQWOXFSEDTPCH-SNAWJCMRSA-N 2 0 272.352 1.538 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CCOC)C1 ZINC001319827717 931488611 /nfs/dbraw/zinc/48/86/11/931488611.db2.gz SKQYVBIZFISOSH-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP CC/C=C\CC[NH2+]C/C=C/CNC(=O)C12CC[NH+](CC1)C2 ZINC001274509152 931505112 /nfs/dbraw/zinc/50/51/12/931505112.db2.gz KDCJAWFBLYEXCH-WWVFNRLHSA-N 2 0 291.439 1.701 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C[NH2+]CC1CCC1)[NH+](C)C ZINC001275202856 931697162 /nfs/dbraw/zinc/69/71/62/931697162.db2.gz LJAREEGIMXMPKB-WCQYABFASA-N 2 0 255.406 1.221 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]CC[C@H](C)F ZINC001275459505 931805329 /nfs/dbraw/zinc/80/53/29/931805329.db2.gz QTJPNCNWUADCOM-RYUDHWBXSA-N 2 0 261.385 1.169 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCCC1 ZINC001411644928 931939636 /nfs/dbraw/zinc/93/96/36/931939636.db2.gz RRCLENDQMCROAY-KGLIPLIRSA-N 2 0 279.428 1.604 10 0 CDAERP CCCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001275864885 932101373 /nfs/dbraw/zinc/10/13/73/932101373.db2.gz CJTDEEFDTTWRLU-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP C[NH2+]CCCCC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000719719293 932231405 /nfs/dbraw/zinc/23/14/05/932231405.db2.gz JDGMXBSKHMCPKB-CYBMUJFWSA-N 2 0 253.390 1.073 10 0 CDAERP COC1CC[NH+](C(C)(C)CN[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925558313 932905177 /nfs/dbraw/zinc/90/51/77/932905177.db2.gz SVZNAZRABUFUEP-HNNXBMFYSA-N 2 0 295.471 1.750 10 0 CDAERP C[N@@H+]1CCC[C@H](CN[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925557558 932905600 /nfs/dbraw/zinc/90/56/00/932905600.db2.gz PKUCWLAGWQASGB-HZSPNIEDSA-N 2 0 253.434 1.824 10 0 CDAERP CSCC[C@@H]([NH3+])C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000691934829 933442331 /nfs/dbraw/zinc/44/23/31/933442331.db2.gz AXINFTQYJVDIJR-CYBMUJFWSA-N 2 0 299.484 1.401 10 0 CDAERP CC[C@H](CN1CCC([N@@H+]2CCCOCC2)CC1)OC ZINC000931285113 933531654 /nfs/dbraw/zinc/53/16/54/933531654.db2.gz FZPMYWVOHQMHGX-OAHLLOKOSA-N 2 0 270.417 1.598 10 0 CDAERP C[NH+]1C[C@]2(C)CN(CCOCC3CC3)C[C@@]2(C)C1 ZINC001119821800 937757832 /nfs/dbraw/zinc/75/78/32/937757832.db2.gz ZYESZHLZYGQMRF-HUUCEWRRSA-N 2 0 252.402 1.687 10 0 CDAERP CS[C@@H]1CN(C(=O)[C@H](C)CC[NH+](C)C)C[C@H]1[NH+](C)C ZINC001412783021 934352895 /nfs/dbraw/zinc/35/28/95/934352895.db2.gz MJQRIUPGDQRSCE-JHJVBQTASA-N 2 0 287.473 1.078 10 0 CDAERP CN(CCC[NH+]1CCCC1)C(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001412885303 935075994 /nfs/dbraw/zinc/07/59/94/935075994.db2.gz YITFKLQXDNXLQY-CQSZACIVSA-N 2 0 285.407 1.365 10 0 CDAERP C[C@H](CN1CCOCC1)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001412945943 935110550 /nfs/dbraw/zinc/11/05/50/935110550.db2.gz ZJVGVVCBEKUYSB-SJORKVTESA-N 2 0 295.471 1.372 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)CC[NH+](CC)CC ZINC001124048781 936275891 /nfs/dbraw/zinc/27/58/91/936275891.db2.gz VHZCLLGGMAUDDL-ZDUSSCGKSA-N 2 0 257.422 1.565 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)CC[NH+](C)C)[C@H](C)C1 ZINC001362009321 970768419 /nfs/dbraw/zinc/76/84/19/970768419.db2.gz APPVLONAXAMBHJ-KFWWJZLASA-N 2 0 283.460 1.763 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+][C@H](CO)Cc2ccccc2)C12CCC2 ZINC000405245744 940975584 /nfs/dbraw/zinc/97/55/84/940975584.db2.gz ZUUFTLNEHCCVDM-RRFJBIMHSA-N 2 0 260.381 1.450 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@@H]2C[NH+](C)C)C1 ZINC001362033064 970797143 /nfs/dbraw/zinc/79/71/43/970797143.db2.gz SLHAIJPMSPIOAR-HUUCEWRRSA-N 2 0 281.444 1.659 10 0 CDAERP CC(C)[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001277193162 942157383 /nfs/dbraw/zinc/15/73/83/942157383.db2.gz BFFURDHQZBMOSF-BFHYXJOUSA-N 2 0 269.433 1.610 10 0 CDAERP C[C@H]1CC[C@H](C[NH+]2CCC(O)(C[NH+]3CCCCC3)CC2)O1 ZINC001473877609 970876928 /nfs/dbraw/zinc/87/69/28/970876928.db2.gz VYNFSQFNLBZWRI-JKSUJKDBSA-N 2 0 296.455 1.867 10 0 CDAERP CC(C)CCC[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001281462004 942579155 /nfs/dbraw/zinc/57/91/55/942579155.db2.gz LYWRSIVMYOTXGH-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[NH2+][C@@H](C)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001282182846 942672667 /nfs/dbraw/zinc/67/26/67/942672667.db2.gz CHXUZBYGCZLAOO-RYUDHWBXSA-N 2 0 255.406 1.221 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)CC=C(C)C ZINC001282487781 942722090 /nfs/dbraw/zinc/72/20/90/942722090.db2.gz YNMAKCNZPQTTEP-AWEZNQCLSA-N 2 0 269.433 1.731 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)CCCF ZINC001282496025 942723273 /nfs/dbraw/zinc/72/32/73/942723273.db2.gz HPUJITMRHKVCBP-GFCCVEGCSA-N 2 0 261.385 1.123 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH+]1CC[C@H](F)C1 ZINC001362150316 970947994 /nfs/dbraw/zinc/94/79/94/970947994.db2.gz ZOPNPZMPRDFZID-UONOGXRCSA-N 2 0 285.407 1.411 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001284242373 943128038 /nfs/dbraw/zinc/12/80/38/943128038.db2.gz MCRZFKDZXRWIRP-KBPBESRZSA-N 2 0 279.428 1.367 10 0 CDAERP CN(C(=O)C[NH+]1CCCC1)[C@H](C[NH2+]C/C=C\Cl)C1CC1 ZINC001277725700 943421044 /nfs/dbraw/zinc/42/10/44/943421044.db2.gz AYOAESLNBJOZHT-HJHHMULASA-N 2 0 299.846 1.661 10 0 CDAERP C[C@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CCCF ZINC001277900857 943960461 /nfs/dbraw/zinc/96/04/61/943960461.db2.gz RSQBBPUHQRPJIW-CYBMUJFWSA-N 2 0 287.423 1.657 10 0 CDAERP CCC[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001265001506 944194008 /nfs/dbraw/zinc/19/40/08/944194008.db2.gz ZDRFABOFVKWLSE-CYBMUJFWSA-N 2 0 255.406 1.319 10 0 CDAERP CC1CC(C[N@H+](C)CCCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001264994756 944196039 /nfs/dbraw/zinc/19/60/39/944196039.db2.gz HSJBXBLVLOPWQP-UHFFFAOYSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]([NH2+]CCCF)C2CC2)C1 ZINC001265370221 944362757 /nfs/dbraw/zinc/36/27/57/944362757.db2.gz MZTZXPJEFIJQHU-OCCSQVGLSA-N 2 0 285.407 1.172 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001265545352 944423770 /nfs/dbraw/zinc/42/37/70/944423770.db2.gz YJBIFJDHMDAFRX-GASCZTMLSA-N 2 0 293.455 1.899 10 0 CDAERP CC/C=C\CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]cn1 ZINC001265722688 944480708 /nfs/dbraw/zinc/48/07/08/944480708.db2.gz QHBMTDTTYAXTHD-RXKQHSEQSA-N 2 0 288.395 1.355 10 0 CDAERP CC(C)OCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001266146167 944712567 /nfs/dbraw/zinc/71/25/67/944712567.db2.gz JUDDCGCLSPAPRJ-RRFJBIMHSA-N 2 0 299.459 1.236 10 0 CDAERP CCC[NH2+][C@@H](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001266167355 944727297 /nfs/dbraw/zinc/72/72/97/944727297.db2.gz TUARFJIVZNYMHZ-ZDUSSCGKSA-N 2 0 269.433 1.755 10 0 CDAERP [NH3+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC001261493041 946142539 /nfs/dbraw/zinc/14/25/39/946142539.db2.gz HMSMZFHHDDKPCW-AAVRWANBSA-N 2 0 267.417 1.385 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)N(C)CC[NH+](C)C2CC2)C1 ZINC001362506220 971350541 /nfs/dbraw/zinc/35/05/41/971350541.db2.gz YDPMMZXWYVRAMV-CQSZACIVSA-N 2 0 281.444 1.659 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1C ZINC001479709569 971378785 /nfs/dbraw/zinc/37/87/85/971378785.db2.gz WTNHRMMLQYKBFK-HIFRSBDPSA-N 2 0 281.444 1.706 10 0 CDAERP CCCC[N@H+](C)CCCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001479796769 971423078 /nfs/dbraw/zinc/42/30/78/971423078.db2.gz MJYIUWLLWGQDDC-CQSZACIVSA-N 2 0 269.433 1.566 10 0 CDAERP CC(C)[C@H](C(=O)NCCC[N@H+](C)CC1CCC1)[NH+](C)C ZINC001479794746 971424635 /nfs/dbraw/zinc/42/46/35/971424635.db2.gz UWJLNLUDSNGDTD-OAHLLOKOSA-N 2 0 283.460 1.811 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001480086909 971570861 /nfs/dbraw/zinc/57/08/61/971570861.db2.gz AKCZMGKOBXFEGW-LSDHHAIUSA-N 2 0 281.444 1.519 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H](C)OC)C1 ZINC001480206880 971628935 /nfs/dbraw/zinc/62/89/35/971628935.db2.gz OWMHDTHYWQGYRD-KBXIAJHMSA-N 2 0 297.443 1.133 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]([NH2+]CC2CC(C)C2)C1 ZINC001480237565 971641464 /nfs/dbraw/zinc/64/14/64/971641464.db2.gz DBCAGETYKDCNCI-ZMYVRHLSSA-N 2 0 281.444 1.610 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001480276012 971656787 /nfs/dbraw/zinc/65/67/87/971656787.db2.gz IGDXJHKWKFLGDW-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP CCCC[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001278666468 951281043 /nfs/dbraw/zinc/28/10/43/951281043.db2.gz CGPIRNIYEQWBCL-ZDUSSCGKSA-N 2 0 269.433 1.565 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@](C)(C[NH2+]CCCF)C2)C1 ZINC001324825575 953593998 /nfs/dbraw/zinc/59/39/98/953593998.db2.gz FPPFDDXDPZEAJQ-ZFWWWQNUSA-N 2 0 285.407 1.126 10 0 CDAERP CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@H](C)[NH+](C)C ZINC001363670084 953630986 /nfs/dbraw/zinc/63/09/86/953630986.db2.gz GHWMRSOJOHOXEH-SOUVJXGZSA-N 2 0 281.444 1.658 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)NCCC[NH+]2CCCC2)C1 ZINC001290265635 954036694 /nfs/dbraw/zinc/03/66/94/954036694.db2.gz OSFQCENNWVEBFC-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001493231080 971990672 /nfs/dbraw/zinc/99/06/72/971990672.db2.gz UDQYHKFQBKKIKY-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP C[NH2+]C[C@@H](C)CNC(=O)C[C@@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC001326002097 954176817 /nfs/dbraw/zinc/17/68/17/954176817.db2.gz SXDGCIAEYJZQOE-BXKDBHETSA-N 2 0 298.818 1.405 10 0 CDAERP CC(C)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001326305087 954313026 /nfs/dbraw/zinc/31/30/26/954313026.db2.gz SFBJWJIZQWDVAX-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@H+](CCF)CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001493299071 972012082 /nfs/dbraw/zinc/01/20/82/972012082.db2.gz JNNXDSSDZPOIEJ-CABCVRRESA-N 2 0 299.434 1.801 10 0 CDAERP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001363244651 972015166 /nfs/dbraw/zinc/01/51/66/972015166.db2.gz FTXUHHBINNPWGQ-LSDHHAIUSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)(O)[C@@H](O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001364363043 954506178 /nfs/dbraw/zinc/50/61/78/954506178.db2.gz POQAPFKQAKBOML-KGLIPLIRSA-N 2 0 270.417 1.069 10 0 CDAERP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C[C@H](C)CC ZINC001493331023 972019524 /nfs/dbraw/zinc/01/95/24/972019524.db2.gz CSYMVLXRWQULHT-HUUCEWRRSA-N 2 0 283.460 1.812 10 0 CDAERP CCCC[NH2+]CCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001493592530 972086354 /nfs/dbraw/zinc/08/63/54/972086354.db2.gz UNVFFJCJKUJELX-HUUCEWRRSA-N 2 0 281.444 1.851 10 0 CDAERP C[C@@H](F)CC[NH+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001421671363 955464663 /nfs/dbraw/zinc/46/46/63/955464663.db2.gz XHXIVVXVAKCOKB-CQSZACIVSA-N 2 0 299.434 1.611 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001491858998 955471505 /nfs/dbraw/zinc/47/15/05/955471505.db2.gz NXORAMMZQKQMCI-OLZOCXBDSA-N 2 0 282.363 1.069 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001491858997 955472900 /nfs/dbraw/zinc/47/29/00/955472900.db2.gz NXORAMMZQKQMCI-CHWSQXEVSA-N 2 0 282.363 1.069 10 0 CDAERP O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@@H](C[NH2+]CCCF)C1 ZINC001491806321 955472956 /nfs/dbraw/zinc/47/29/56/955472956.db2.gz YNNHFFNUCSJXNK-ZFWWWQNUSA-N 2 0 297.418 1.126 10 0 CDAERP CCCCC[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001328835094 955499644 /nfs/dbraw/zinc/49/96/44/955499644.db2.gz KOPVULZBAFWJBC-NRXISQOPSA-N 2 0 281.444 1.755 10 0 CDAERP CCC[NH2+]CC1CC(NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001328898398 955541985 /nfs/dbraw/zinc/54/19/85/955541985.db2.gz VLIZSUVTTRIBSA-UHFFFAOYSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H](CCNC(=O)CC[NH+](C)C)[NH2+]CC1=CCCCC1 ZINC001492077801 955593184 /nfs/dbraw/zinc/59/31/84/955593184.db2.gz JOMJKHIWHWCRKI-AWEZNQCLSA-N 2 0 281.444 1.923 10 0 CDAERP C[C@@H](C[NH2+]CC1CC(C)(C)C1)N(C)C(=O)CC[NH+](C)C ZINC001421945155 955668372 /nfs/dbraw/zinc/66/83/72/955668372.db2.gz ZDRRMGJXHNUNMZ-ZDUSSCGKSA-N 2 0 283.460 1.811 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NCCC[C@H]2CCC[NH+]2CCF)C1 ZINC001492178952 955668556 /nfs/dbraw/zinc/66/85/56/955668556.db2.gz SRXBXKZHVMRPHM-KBPBESRZSA-N 2 0 285.407 1.268 10 0 CDAERP CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001329442198 955919421 /nfs/dbraw/zinc/91/94/21/955919421.db2.gz RAXXIVPMQFGPRI-QWHCGFSZSA-N 2 0 255.406 1.316 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCF)C1 ZINC001317345759 956196065 /nfs/dbraw/zinc/19/60/65/956196065.db2.gz HWFVQPOBCDZNEV-ZIAGYGMSSA-N 2 0 285.407 1.268 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1cccnc1 ZINC001422619506 956197499 /nfs/dbraw/zinc/19/74/99/956197499.db2.gz WEWVPYAHAXOJEW-CYBMUJFWSA-N 2 0 278.400 1.016 10 0 CDAERP C[C@@H](C[NH2+]C[C@H]1CCCCO1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001422696276 956264090 /nfs/dbraw/zinc/26/40/90/956264090.db2.gz FHSKNMAOYSBMAO-ZNMIVQPWSA-N 2 0 297.443 1.134 10 0 CDAERP CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001422757136 956312893 /nfs/dbraw/zinc/31/28/93/956312893.db2.gz ZJIDBVGMLXQNKM-UKRRQHHQSA-N 2 0 283.460 1.953 10 0 CDAERP CC1CC(C[NH2+]CCCN(C)C(=O)CC[NH+](C)C)C1 ZINC001569236493 1169731254 /nfs/dbraw/zinc/73/12/54/1169731254.db2.gz VDTUDWQZQBBNHR-UHFFFAOYSA-N 2 0 269.433 1.422 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)CC[N@@H+]1CC1CC1 ZINC001365869506 956413056 /nfs/dbraw/zinc/41/30/56/956413056.db2.gz HOUJXUFRSHRZNI-LSDHHAIUSA-N 2 0 281.444 1.706 10 0 CDAERP CC(C)CC[N@H+](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001422881534 956424632 /nfs/dbraw/zinc/42/46/32/956424632.db2.gz VNJXVTBRAMMFKE-AWEZNQCLSA-N 2 0 283.460 1.811 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CCC2CC2)[C@@H]1C)[NH+](C)C ZINC001365886575 956424772 /nfs/dbraw/zinc/42/47/72/956424772.db2.gz IJKZLWVTUHLUHB-VHDGCEQUSA-N 2 0 281.444 1.706 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@H]([NH2+]CC2CC2)C2CC2)CC[N@@H+]1C ZINC001366028771 956522092 /nfs/dbraw/zinc/52/20/92/956522092.db2.gz BKCKPQSWIZBEPH-HRCADAONSA-N 2 0 293.455 1.611 10 0 CDAERP CC[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]1[NH2+]CCF ZINC001423067764 956557233 /nfs/dbraw/zinc/55/72/33/956557233.db2.gz RCODOGZTNFPPBB-KBPBESRZSA-N 2 0 287.423 1.513 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCC(C)(C)C)C2)C1 ZINC001366128570 956587535 /nfs/dbraw/zinc/58/75/35/956587535.db2.gz QBDKGRKRMSBFOR-IHRRRGAJSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2nccs2)C1 ZINC001366130221 956588692 /nfs/dbraw/zinc/58/86/92/956588692.db2.gz GWBBVKVUMYDVTN-HAQNSBGRSA-N 2 0 296.440 1.220 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC ZINC001366136020 956592333 /nfs/dbraw/zinc/59/23/33/956592333.db2.gz VVHVAUMQDXMXLN-DKUMPPAJSA-N 2 0 299.434 1.798 10 0 CDAERP C[C@H](F)CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001366213352 956641288 /nfs/dbraw/zinc/64/12/88/956641288.db2.gz XFLNJRLEOOCSQN-LSDHHAIUSA-N 2 0 299.434 1.801 10 0 CDAERP C[N@H+](CCF)CCCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001316859193 956642630 /nfs/dbraw/zinc/64/26/30/956642630.db2.gz JPSRBYRGVWUFIU-UHFFFAOYSA-N 2 0 299.434 1.516 10 0 CDAERP C[NH+](C)CC1(C(=O)N2C[C@@H]([NH2+]CCF)C(C)(C)C2)CC1 ZINC001423403323 956762984 /nfs/dbraw/zinc/76/29/84/956762984.db2.gz OXKCOVCGFKSSAW-GFCCVEGCSA-N 2 0 285.407 1.124 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC001423415995 956769383 /nfs/dbraw/zinc/76/93/83/956769383.db2.gz QWHAWFNUNOOSKB-UKRRQHHQSA-N 2 0 297.443 1.086 10 0 CDAERP CC(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001366441008 956829943 /nfs/dbraw/zinc/82/99/43/956829943.db2.gz UWKYCIPNHWVTQA-HUUCEWRRSA-N 2 0 283.460 2.000 10 0 CDAERP Cc1nc(C[NH2+][C@H](C)CCNC(=O)CC[NH+](C)C)oc1C ZINC001366487614 956866316 /nfs/dbraw/zinc/86/63/16/956866316.db2.gz NPAAIWCDRNXNHQ-LLVKDONJSA-N 2 0 296.415 1.228 10 0 CDAERP CC[NH+]1CCC(C)(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001423670941 956931313 /nfs/dbraw/zinc/93/13/13/956931313.db2.gz XMEKVFOSORKJMD-KRWDZBQOSA-N 2 0 293.455 1.711 10 0 CDAERP C[NH+](C)CCC(=O)NCC1(C)CC[NH+](CCF)CC1 ZINC001423677581 956935530 /nfs/dbraw/zinc/93/55/30/956935530.db2.gz LLWPSJFVRBMDTO-UHFFFAOYSA-N 2 0 273.396 1.126 10 0 CDAERP CC(C)OCC[N@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001366554766 956952301 /nfs/dbraw/zinc/95/23/01/956952301.db2.gz SQJYELWCILRVAB-UHFFFAOYSA-N 2 0 299.459 1.334 10 0 CDAERP CC[C@@H](C)C[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001423979450 957064959 /nfs/dbraw/zinc/06/49/59/957064959.db2.gz JJXKQFFYJYKAAQ-KFWWJZLASA-N 2 0 281.444 1.374 10 0 CDAERP COCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001316882555 957087288 /nfs/dbraw/zinc/08/72/88/957087288.db2.gz ZPWQFIRDOBSEKY-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001366689922 957118132 /nfs/dbraw/zinc/11/81/32/957118132.db2.gz PBJABOLVKBPJAX-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@H](F)CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)C1CC1 ZINC001366742337 957159076 /nfs/dbraw/zinc/15/90/76/957159076.db2.gz MAHYFWUCAMDKNX-ZFWWWQNUSA-N 2 0 299.434 1.799 10 0 CDAERP CC(C)[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)c1ccccc1 ZINC001366799400 957190489 /nfs/dbraw/zinc/19/04/89/957190489.db2.gz XYANXGOLPXJJMO-MRXNPFEDSA-N 2 0 289.423 1.938 10 0 CDAERP CCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001317245484 957376445 /nfs/dbraw/zinc/37/64/45/957376445.db2.gz QKJZNGLCPFPVRE-STQMWFEESA-N 2 0 255.406 1.365 10 0 CDAERP CC(C)CC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001317254354 957382587 /nfs/dbraw/zinc/38/25/87/957382587.db2.gz GPZSNMOXXLAMFY-CHWSQXEVSA-N 2 0 255.406 1.221 10 0 CDAERP CC/C=C\CC[NH2+][C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001317281034 957400866 /nfs/dbraw/zinc/40/08/66/957400866.db2.gz BKDGSWNORVUZHK-JBZXTQMFSA-N 2 0 281.444 1.779 10 0 CDAERP CC1CC(C[NH+]2CC(CNC(=O)C[NH+]3CCCC3)C2)C1 ZINC001494625619 972272055 /nfs/dbraw/zinc/27/20/55/972272055.db2.gz MSJXZPOMHAYFRM-UHFFFAOYSA-N 2 0 279.428 1.176 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]C(C)C)C(C)(C)C1 ZINC001332436292 957565289 /nfs/dbraw/zinc/56/52/89/957565289.db2.gz DLHRTDUDRVUWMP-CYBMUJFWSA-N 2 0 269.433 1.563 10 0 CDAERP CN(CC[NH2+]C/C=C\Cl)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001317600480 957592660 /nfs/dbraw/zinc/59/26/60/957592660.db2.gz JTSRSDLKHXRFIF-SMYYYNMVSA-N 2 0 273.808 1.271 10 0 CDAERP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]C/C=C/Cl ZINC001425685840 957598415 /nfs/dbraw/zinc/59/84/15/957598415.db2.gz SCWGGPHWQNDBCV-XCOQAZTISA-N 2 0 273.808 1.127 10 0 CDAERP CCC[NH2+]CCN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001317648322 957621903 /nfs/dbraw/zinc/62/19/03/957621903.db2.gz JBCVTRRGLRPDBC-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)C[NH2+]CC1CCCC1 ZINC001367268177 957891886 /nfs/dbraw/zinc/89/18/86/957891886.db2.gz CKIYYFXQAXPPEB-AWEZNQCLSA-N 2 0 295.471 1.860 10 0 CDAERP CC(C)[C@H](C(=O)NC[C@H](C)C[NH2+]CC1CC1)[NH+]1CCCC1 ZINC001367288539 957907468 /nfs/dbraw/zinc/90/74/68/957907468.db2.gz NWESZVCZXUSDED-GDBMZVCRSA-N 2 0 295.471 1.859 10 0 CDAERP COCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001319069570 958364625 /nfs/dbraw/zinc/36/46/25/958364625.db2.gz AHZQWQDZEXMBDB-HUUCEWRRSA-N 2 0 297.443 1.086 10 0 CDAERP Cc1ncsc1C[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001367837158 958418892 /nfs/dbraw/zinc/41/88/92/958418892.db2.gz SMBBQACKRHJJIY-LLVKDONJSA-N 2 0 298.456 1.340 10 0 CDAERP CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001319230789 958446725 /nfs/dbraw/zinc/44/67/25/958446725.db2.gz BYQJMEGITRZWNE-AGIUHOORSA-N 2 0 255.406 1.079 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001319512562 958602901 /nfs/dbraw/zinc/60/29/01/958602901.db2.gz ZBQUZAKBCUUDNV-ZIAGYGMSSA-N 2 0 267.417 1.483 10 0 CDAERP C[C@@H](C[NH2+]CCCF)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001319535143 958614350 /nfs/dbraw/zinc/61/43/50/958614350.db2.gz VHAFEKVGLOJNAC-ZDUSSCGKSA-N 2 0 289.439 1.760 10 0 CDAERP C[C@H](C[NH2+]CCCC1CCC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001319574800 958636843 /nfs/dbraw/zinc/63/68/43/958636843.db2.gz NMULWOWZTSGFSU-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP COCC[NH2+][C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C(C)C ZINC001319928746 958793702 /nfs/dbraw/zinc/79/37/02/958793702.db2.gz NBLVJKZEXMEKTC-CQSZACIVSA-N 2 0 299.459 1.238 10 0 CDAERP CCCCC[N@H+](C)CCN(C)C(=O)[C@@H]1CN(CC)CCO1 ZINC001320085956 958925667 /nfs/dbraw/zinc/92/56/67/958925667.db2.gz UNFPKWKACIPQBU-HNNXBMFYSA-N 2 0 299.459 1.288 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001368601940 958994067 /nfs/dbraw/zinc/99/40/67/958994067.db2.gz AQSNVKQPWULOPM-SHTZXODSSA-N 2 0 293.455 1.613 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001368674751 959030240 /nfs/dbraw/zinc/03/02/40/959030240.db2.gz LZIOCPPVCQYAAR-AWEZNQCLSA-N 2 0 283.460 1.953 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]C(C)C ZINC001320438969 959174886 /nfs/dbraw/zinc/17/48/86/959174886.db2.gz IHZCIVQDCQXCLP-KBPBESRZSA-N 2 0 269.433 1.754 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccns1)[NH+](C)C ZINC001320464885 959188290 /nfs/dbraw/zinc/18/82/90/959188290.db2.gz VFAAQWFPZDTQDN-WCQYABFASA-N 2 0 298.456 1.468 10 0 CDAERP Cc1nocc1C[NH2+][C@H](C)[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001368919918 959252174 /nfs/dbraw/zinc/25/21/74/959252174.db2.gz ZQYHVWMDQFCLBV-VXGBXAGGSA-N 2 0 294.399 1.062 10 0 CDAERP O=C(NC/C=C/C[NH2+]C/C=C\Cl)[C@@H]1C[NH+]2CCC1CC2 ZINC001321063956 959568497 /nfs/dbraw/zinc/56/84/97/959568497.db2.gz JNORKVSDFNUHST-HBDQHMMYSA-N 2 0 297.830 1.343 10 0 CDAERP C[NH+](C)CCCC(=O)N1C[C@H]([NH2+]CC2CCC2)C(C)(C)C1 ZINC001369433177 959683217 /nfs/dbraw/zinc/68/32/17/959683217.db2.gz DFLCLEATUYGMIZ-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP CCC(CC)C[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001321391758 959766505 /nfs/dbraw/zinc/76/65/05/959766505.db2.gz HSANACWXNWWJLS-IDTUSYRASA-N 2 0 281.444 1.636 10 0 CDAERP CC(C)C[C@H](C)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001370020134 959949952 /nfs/dbraw/zinc/94/99/52/959949952.db2.gz SAWMELZRSFLHDF-LSDHHAIUSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@](C[NH2+]CC1CC1)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001495298182 972468483 /nfs/dbraw/zinc/46/84/83/972468483.db2.gz IFEFWNKZBUDRBG-MRXNPFEDSA-N 2 0 279.428 1.367 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccns1 ZINC001371321601 972470972 /nfs/dbraw/zinc/47/09/72/972470972.db2.gz RPGUBHHLLUOSPA-AAEUAGOBSA-N 2 0 296.440 1.222 10 0 CDAERP C[C@H](O)CCC[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001414069963 960025991 /nfs/dbraw/zinc/02/59/91/960025991.db2.gz WEXGDJGKBVFJAP-HNNXBMFYSA-N 2 0 284.444 1.460 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)C[NH2+]C(C)(C)C)CC[N@@H+]1C ZINC001322046886 960064909 /nfs/dbraw/zinc/06/49/09/960064909.db2.gz JQFHPLPJEHQMFP-VXGBXAGGSA-N 2 0 255.406 1.316 10 0 CDAERP CCC[N@H+](C)C[C@@H](C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001322280719 960166974 /nfs/dbraw/zinc/16/69/74/960166974.db2.gz JLTFISSNBOBPRD-CHWSQXEVSA-N 2 0 255.406 1.175 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001370630211 960167952 /nfs/dbraw/zinc/16/79/52/960167952.db2.gz DBFBLVHHNCZTPA-ITZSHIHRSA-N 2 0 299.846 1.850 10 0 CDAERP CC(C)C[NH2+]CCCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001322758024 960315194 /nfs/dbraw/zinc/31/51/94/960315194.db2.gz VJNKVTZLEZCIGC-UHFFFAOYSA-N 2 0 283.460 1.812 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001323264832 960593352 /nfs/dbraw/zinc/59/33/52/960593352.db2.gz XVRLKNASLADHES-MHKRFPNSSA-N 2 0 281.444 1.873 10 0 CDAERP CC(C)CC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001418630836 960826946 /nfs/dbraw/zinc/82/69/46/960826946.db2.gz PFSKGHDEQNDAFB-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001418707822 960926926 /nfs/dbraw/zinc/92/69/26/960926926.db2.gz LTWCFDALITYZFY-MGPQQGTHSA-N 2 0 287.423 1.559 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001418908431 961148516 /nfs/dbraw/zinc/14/85/16/961148516.db2.gz OZVMCHHGIZYVNW-UONOGXRCSA-N 2 0 292.427 1.825 10 0 CDAERP O=C(C[NH+]1CCCC1)NCC[C@H]1CC[N@H+](CC2CC2)C1 ZINC001418923516 961163094 /nfs/dbraw/zinc/16/30/94/961163094.db2.gz ZTHJEJGRTPJWTR-HNNXBMFYSA-N 2 0 279.428 1.320 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH+](C)C)C1 ZINC001434355215 961189318 /nfs/dbraw/zinc/18/93/18/961189318.db2.gz KRMJFJLHVLXGFT-GJZGRUSLSA-N 2 0 281.444 1.661 10 0 CDAERP C[NH+](C)C1(C(=O)N2CCC[C@@H]2C[NH2+]C/C=C\Cl)CCC1 ZINC001324174896 961215629 /nfs/dbraw/zinc/21/56/29/961215629.db2.gz JZLGIQKWIMRNLT-WYOARUQKSA-N 2 0 299.846 1.804 10 0 CDAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH2+]CC1CC1 ZINC001419196823 961495421 /nfs/dbraw/zinc/49/54/21/961495421.db2.gz KBTWPYNUNHQPHI-SOUVJXGZSA-N 2 0 281.444 1.611 10 0 CDAERP CC[N@H+](C)C[C@H](O)CN1C[C@@H]([NH+]2CCCC2)C[C@H]1C(C)C ZINC001434508668 961579360 /nfs/dbraw/zinc/57/93/60/961579360.db2.gz LKHXKETUOJYLCL-ULQDDVLXSA-N 2 0 297.487 1.494 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001419416416 961677018 /nfs/dbraw/zinc/67/70/18/961677018.db2.gz DCUWOHKSHZCTLA-JHJVBQTASA-N 2 0 285.407 1.313 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CCC(C)C)CCO1 ZINC001419593130 961848908 /nfs/dbraw/zinc/84/89/08/961848908.db2.gz HUIOTIVBPKCEDD-OAHLLOKOSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@H](C[NH2+]CC1CCCCC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001419743844 962065353 /nfs/dbraw/zinc/06/53/53/962065353.db2.gz IZRFRIRLUIHAKO-GDBMZVCRSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1ncccc1C)[NH+](C)C ZINC001419766728 962086045 /nfs/dbraw/zinc/08/60/45/962086045.db2.gz FJKDOLPCWJPODM-DZGCQCFKSA-N 2 0 292.427 1.325 10 0 CDAERP CC(C)[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC1CC1 ZINC001419889394 962203545 /nfs/dbraw/zinc/20/35/45/962203545.db2.gz NHMSMWUXUVWMKS-LSDHHAIUSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)CC[NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001419932434 962248662 /nfs/dbraw/zinc/24/86/62/962248662.db2.gz AOSGPKRZPGZKJQ-OAHLLOKOSA-N 2 0 295.471 1.859 10 0 CDAERP C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]C[C@H]1CCOC1 ZINC001437203372 962733117 /nfs/dbraw/zinc/73/31/17/962733117.db2.gz HSOUTPSXKTVWOV-ZIAGYGMSSA-N 2 0 299.459 1.095 10 0 CDAERP C[C@@H](C[NH2+]CC1CCCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001420461915 962932575 /nfs/dbraw/zinc/93/25/75/962932575.db2.gz FVFKXEZTYMKXGC-ZDUSSCGKSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@@H](C[NH2+]Cc1cncs1)NC(=O)C1CC[NH+](C)CC1 ZINC001420463372 962940933 /nfs/dbraw/zinc/94/09/33/962940933.db2.gz OYGBUPGTGYXXBB-NSHDSACASA-N 2 0 296.440 1.079 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001420481696 962958575 /nfs/dbraw/zinc/95/85/75/962958575.db2.gz BSILZQYKHLPDSV-CABCVRRESA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)OCC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001420492852 962973699 /nfs/dbraw/zinc/97/36/99/962973699.db2.gz KHJQXTCJYRYLBY-OAHLLOKOSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001420674045 963176949 /nfs/dbraw/zinc/17/69/49/963176949.db2.gz SZUCTKVZELJGFA-OAHLLOKOSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001420882232 963329590 /nfs/dbraw/zinc/32/95/90/963329590.db2.gz AXNHRJMUGBTIRA-AWEZNQCLSA-N 2 0 279.428 1.319 10 0 CDAERP CC[C@@H](C)C[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001420991834 963407412 /nfs/dbraw/zinc/40/74/12/963407412.db2.gz CCZJDIXRRFWZRT-KGLIPLIRSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CC1CC1 ZINC001438321700 963418504 /nfs/dbraw/zinc/41/85/04/963418504.db2.gz IRHIZDKEACEOPJ-CQSZACIVSA-N 2 0 281.444 1.755 10 0 CDAERP Cc1ncccc1C[NH2+]C[C@H](C)CNC(=O)CC[NH+](C)C ZINC001438525913 963477367 /nfs/dbraw/zinc/47/73/67/963477367.db2.gz YDGPZOKRQJOPMM-ZDUSSCGKSA-N 2 0 292.427 1.184 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@@]1(C)CC[N@@H+](C(C)C)C1 ZINC001421200005 963497529 /nfs/dbraw/zinc/49/75/29/963497529.db2.gz CIGXFHLAUUSFBD-ZFWWWQNUSA-N 2 0 287.423 1.655 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@]2(C)CC[NH+](CCC3CC3)C2)C1 ZINC001421224834 963508488 /nfs/dbraw/zinc/50/84/88/963508488.db2.gz RGOZNDDUYQZKPZ-DOTOQJQBSA-N 2 0 293.455 1.709 10 0 CDAERP CN(CC[N@H+](C)CCC1CCOCC1)C(=O)CC[NH+](C)C ZINC001438905477 963596616 /nfs/dbraw/zinc/59/66/16/963596616.db2.gz YMGKUPUDJOPPHX-UHFFFAOYSA-N 2 0 299.459 1.145 10 0 CDAERP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(C)cc1 ZINC001421434589 963604301 /nfs/dbraw/zinc/60/43/01/963604301.db2.gz DWEZMZRVKLUZAZ-INIZCTEOSA-N 2 0 291.439 1.931 10 0 CDAERP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001439179249 963664103 /nfs/dbraw/zinc/66/41/03/963664103.db2.gz RPKWOFFXSJHHGA-ZBFHGGJFSA-N 2 0 289.423 1.541 10 0 CDAERP C[C@H](C[N@H+](C)CCC(F)(F)F)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001439402669 963753236 /nfs/dbraw/zinc/75/32/36/963753236.db2.gz DBITYGCBHUZVCI-MNOVXSKESA-N 2 0 295.349 1.327 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC[C@@]2(CC[NH+](CCF)C2)C1 ZINC001440539468 964104755 /nfs/dbraw/zinc/10/47/55/964104755.db2.gz QFEWDMHDMBQXHD-INIZCTEOSA-N 2 0 299.434 1.612 10 0 CDAERP CO[C@@H](C)C[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001440736476 964152288 /nfs/dbraw/zinc/15/22/88/964152288.db2.gz RVAJLZWSLHHZIQ-GJZGRUSLSA-N 2 0 297.443 1.040 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]C/C=C\Cl)C1 ZINC001441335081 964465116 /nfs/dbraw/zinc/46/51/16/964465116.db2.gz ACHKSRYWURQZHV-KUTPXYQMSA-N 2 0 299.846 1.804 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]([NH2+]C/C=C\Cl)C2)C1 ZINC001441421997 964507470 /nfs/dbraw/zinc/50/74/70/964507470.db2.gz YCBSULVDZAXZRF-AINJUTQGSA-N 2 0 285.819 1.318 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H]1CCC[NH+](CCF)C1 ZINC001441688427 964652848 /nfs/dbraw/zinc/65/28/48/964652848.db2.gz XMEKYVOZSDGJJU-KGLIPLIRSA-N 2 0 287.423 1.513 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)[NH2+]CCc1cccs1)[NH+](C)C ZINC001441858137 964753381 /nfs/dbraw/zinc/75/33/81/964753381.db2.gz UKONUHRKCZMFKW-TZMCWYRMSA-N 2 0 297.468 1.725 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C[NH+](C)C ZINC001556805307 965105139 /nfs/dbraw/zinc/10/51/39/965105139.db2.gz HSDGBKBGWXEAAM-MGPQQGTHSA-N 2 0 269.433 1.421 10 0 CDAERP CC[N@H+](CCNC(=O)CC[C@@H]1CCC[NH+]1C)CC1CC1 ZINC001442675764 965171838 /nfs/dbraw/zinc/17/18/38/965171838.db2.gz OKFXULVLBWAOSJ-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001442798505 965224346 /nfs/dbraw/zinc/22/43/46/965224346.db2.gz HIDZXQNXFOTPFP-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)C[C@@H](C)C[NH+]1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001443543434 965508375 /nfs/dbraw/zinc/50/83/75/965508375.db2.gz OJYXTZCJOSLVTP-CQSZACIVSA-N 2 0 293.455 1.565 10 0 CDAERP CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]Cc1cnc(C)o1 ZINC001444032323 965716350 /nfs/dbraw/zinc/71/63/50/965716350.db2.gz JEBZNOHRJWMNAW-ZDUSSCGKSA-N 2 0 296.415 1.308 10 0 CDAERP CC[C@@H](F)C[NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001444937748 966014738 /nfs/dbraw/zinc/01/47/38/966014738.db2.gz NEVRZRRTVOFVHL-KGLIPLIRSA-N 2 0 299.434 1.561 10 0 CDAERP C[NH2+]C1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001349458140 966355103 /nfs/dbraw/zinc/35/51/03/966355103.db2.gz QDZIKXMARXVYLK-UHFFFAOYSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@@H](C[N@H+](C)CCC1CC1)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001445843954 966362152 /nfs/dbraw/zinc/36/21/52/966362152.db2.gz AJBYREXNPSVNPB-DZGCQCFKSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@H](F)C[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001446185799 966478985 /nfs/dbraw/zinc/47/89/85/966478985.db2.gz WVUVAIPGQLYFEB-KBPBESRZSA-N 2 0 299.434 1.847 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C ZINC001447170693 966713531 /nfs/dbraw/zinc/71/35/31/966713531.db2.gz QEQCPHPVJMQCOW-RRFJBIMHSA-N 2 0 299.434 1.752 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001480116299 967089231 /nfs/dbraw/zinc/08/92/31/967089231.db2.gz UQPGEKATDYCVNJ-ZDUSSCGKSA-N 2 0 269.433 1.565 10 0 CDAERP Cc1oncc1C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001448979837 967322293 /nfs/dbraw/zinc/32/22/93/967322293.db2.gz KDNMXGYIJRGHTB-RISCZKNCSA-N 2 0 294.399 1.014 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cccc(F)c1F ZINC001480530819 968115776 /nfs/dbraw/zinc/11/57/76/968115776.db2.gz OMUDPTCCOFQRSU-LLVKDONJSA-N 2 0 299.365 1.511 10 0 CDAERP c1cc(C[NH2+]CCc2ccncc2)n(-c2cc[nH+]cc2)n1 ZINC001461331046 969615290 /nfs/dbraw/zinc/61/52/90/969615290.db2.gz JFZCXQHOJSLWOW-UHFFFAOYSA-N 2 0 279.347 1.995 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC001361747528 970487901 /nfs/dbraw/zinc/48/79/01/970487901.db2.gz NIUBHIHWUKDMFM-GDBMZVCRSA-N 2 0 291.439 1.993 10 0 CDAERP C[C@@H](CNC(=O)CC[N@@H+]1CC[C@@H](F)C1)C[NH+]1CCCCC1 ZINC001361839801 970590254 /nfs/dbraw/zinc/59/02/54/970590254.db2.gz OREKQYGPPJNMDW-LSDHHAIUSA-N 2 0 299.434 1.659 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C[NH2+]CCCF ZINC001495664523 972585292 /nfs/dbraw/zinc/58/52/92/972585292.db2.gz HHPYTZXEVHMVBH-OCCSQVGLSA-N 2 0 285.407 1.030 10 0 CDAERP CC[C@@H](C(=O)NC[C@H](C)C[NH2+]C/C=C\Cl)[NH+](C)C ZINC001495742039 972618090 /nfs/dbraw/zinc/61/80/90/972618090.db2.gz NWEFLMIUVYCESW-PBWNMSGQSA-N 2 0 275.824 1.421 10 0 CDAERP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C[NH2+]CC1CCCC1 ZINC001495782842 972629589 /nfs/dbraw/zinc/62/95/89/972629589.db2.gz BJTBHBCVBSALGO-GDBMZVCRSA-N 2 0 295.471 1.860 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001496230139 972849803 /nfs/dbraw/zinc/84/98/03/972849803.db2.gz QZAKMWNHPAJUCM-KGLIPLIRSA-N 2 0 267.417 1.341 10 0 CDAERP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C[C@@H](F)CC ZINC001372745881 973106314 /nfs/dbraw/zinc/10/63/14/973106314.db2.gz DOPRSGIMOIHOJK-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@H](CC[NH2+]C/C=C\Cl)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001497188337 973236135 /nfs/dbraw/zinc/23/61/35/973236135.db2.gz HZCJVUUJTSNISB-IIQFCBPVSA-N 2 0 299.846 1.565 10 0 CDAERP Cc1cccnc1C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001417944280 973489465 /nfs/dbraw/zinc/48/94/65/973489465.db2.gz IMLRAINMUVUTRL-AWEZNQCLSA-N 2 0 290.411 1.032 10 0 CDAERP CCC(CC)C[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001418046233 973547418 /nfs/dbraw/zinc/54/74/18/973547418.db2.gz JILFDVURPMNIKO-HNNXBMFYSA-N 2 0 293.455 1.709 10 0 CDAERP CCN(C(=O)[C@@H](F)C[NH+](CC)CC)[C@@H]1CC[N@H+](CC)C1 ZINC001373707947 973579899 /nfs/dbraw/zinc/57/98/99/973579899.db2.gz KTERZCFAHCBTGP-KGLIPLIRSA-N 2 0 287.423 1.609 10 0 CDAERP CCN(C(=O)[C@@H](F)C[NH+](CC)CC)[C@H]1CC[N@H+](CC)C1 ZINC001373707945 973580732 /nfs/dbraw/zinc/58/07/32/973580732.db2.gz KTERZCFAHCBTGP-KBPBESRZSA-N 2 0 287.423 1.609 10 0 CDAERP CCN(C(=O)[C@H](F)C[NH+](CC)CC)[C@H]1CC[N@H+](CC)C1 ZINC001373707948 973580858 /nfs/dbraw/zinc/58/08/58/973580858.db2.gz KTERZCFAHCBTGP-UONOGXRCSA-N 2 0 287.423 1.609 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001418228062 973683221 /nfs/dbraw/zinc/68/32/21/973683221.db2.gz QMKIGKQLFGSWJB-ZFWWWQNUSA-N 2 0 281.444 1.469 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H]1CCCN1C(=O)CC[N@H+](C)CC ZINC001373967893 973707869 /nfs/dbraw/zinc/70/78/69/973707869.db2.gz BTXFKGDRVRQYLP-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@@H]1[C@H](C(=O)NCC[NH+](C)CC2CC(C)(C)C2)CC[N@@H+]1C ZINC001418459744 973865120 /nfs/dbraw/zinc/86/51/20/973865120.db2.gz FMYICNXAVFJDSY-UKRRQHHQSA-N 2 0 295.471 1.811 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C[NH2+]C(C)C)C2CC2)CC[N@@H+]1C ZINC001498757753 974049198 /nfs/dbraw/zinc/04/91/98/974049198.db2.gz CRJJWWVGSCPHFZ-SOUVJXGZSA-N 2 0 281.444 1.610 10 0 CDAERP Cc1ncoc1C[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001374768163 974110987 /nfs/dbraw/zinc/11/09/87/974110987.db2.gz IKYPEBPCPWACNK-RISCZKNCSA-N 2 0 296.415 1.164 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]CCF)[NH+](CC)CC ZINC001499926610 974338131 /nfs/dbraw/zinc/33/81/31/974338131.db2.gz MWWMDJUVXFZASJ-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001500125942 974379098 /nfs/dbraw/zinc/37/90/98/974379098.db2.gz KPDKCLQHUJRZIN-CVEARBPZSA-N 2 0 295.471 1.859 10 0 CDAERP CC[C@H](C(=O)N(C)C1C[NH+](CC2CC(C)(C)C2)C1)[NH+](C)C ZINC001375686996 974454088 /nfs/dbraw/zinc/45/40/88/974454088.db2.gz PHOTZOWDURSHMK-OAHLLOKOSA-N 2 0 295.471 1.905 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)C1C[NH+](CCC(C)(C)C)C1 ZINC001375721271 974463161 /nfs/dbraw/zinc/46/31/61/974463161.db2.gz VVGXQSICAZKCHS-UHFFFAOYSA-N 2 0 283.460 1.907 10 0 CDAERP CC(C)[N@@H+]1CC[C@](C)(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001375835244 974492097 /nfs/dbraw/zinc/49/20/97/974492097.db2.gz YUFGCYFXCQOYEB-HOCLYGCPSA-N 2 0 281.444 1.850 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C ZINC001501400079 974579283 /nfs/dbraw/zinc/57/92/83/974579283.db2.gz OQRPARKTVCGRFT-JKSUJKDBSA-N 2 0 293.455 1.970 10 0 CDAERP CC(C)[NH2+]CC[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001501637810 974613854 /nfs/dbraw/zinc/61/38/54/974613854.db2.gz PYGGCHNKEGTTIL-CABCVRRESA-N 2 0 281.444 1.565 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC1CC1)C1CC1 ZINC001376271451 974618172 /nfs/dbraw/zinc/61/81/72/974618172.db2.gz GPDREFFVXMZGDU-HZPDHXFCSA-N 2 0 293.455 1.755 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CCCC[N@@H+]1CCCF ZINC001376576761 974690308 /nfs/dbraw/zinc/69/03/08/974690308.db2.gz JWYPKSJRZKGUFS-CYBMUJFWSA-N 2 0 273.396 1.268 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1ccsc1 ZINC001376883666 974803190 /nfs/dbraw/zinc/80/31/90/974803190.db2.gz RURSDJFGGZWWCF-LBPRGKRZSA-N 2 0 283.441 1.683 10 0 CDAERP CC[C@H](F)C[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001376912797 974814973 /nfs/dbraw/zinc/81/49/73/974814973.db2.gz XHTLTBCYYWLMPO-UONOGXRCSA-N 2 0 287.423 1.609 10 0 CDAERP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1ccccc1 ZINC001505684731 974963139 /nfs/dbraw/zinc/96/31/39/974963139.db2.gz CGTUJUNBMQVOSQ-KBPBESRZSA-N 2 0 277.412 1.621 10 0 CDAERP O=C(NCC[C@@H]1CC[N@@H+](CCF)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001377702351 975116015 /nfs/dbraw/zinc/11/60/15/975116015.db2.gz WUVFUQRJSXAQKL-UKRRQHHQSA-N 2 0 297.418 1.126 10 0 CDAERP CC(C)CC[NH2+][C@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001377845975 975154905 /nfs/dbraw/zinc/15/49/05/975154905.db2.gz FWURNPQZTQNYNY-KGLIPLIRSA-N 2 0 283.460 1.857 10 0 CDAERP C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[N@H+](C)CC1CCC1 ZINC001378043445 975218396 /nfs/dbraw/zinc/21/83/96/975218396.db2.gz OYHCMGMNJGUFRA-CJNGLKHVSA-N 2 0 293.455 1.565 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1CC[N@H+](CC(C)C)C1 ZINC001378057042 975223977 /nfs/dbraw/zinc/22/39/77/975223977.db2.gz IYIOXQMZRNSICO-UONOGXRCSA-N 2 0 287.423 1.513 10 0 CDAERP CC[N@H+](C)CCC(=O)NCC1[C@H]2C[NH+](C/C=C/Cl)C[C@@H]12 ZINC001506822566 975228563 /nfs/dbraw/zinc/22/85/63/975228563.db2.gz QPONHWCMEDKQCE-YRJZQEOKSA-N 2 0 299.846 1.375 10 0 CDAERP CCN(C(=O)Cn1ccnc1)[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001378199575 975280996 /nfs/dbraw/zinc/28/09/96/975280996.db2.gz KTLLIARRUGCLIC-CQSZACIVSA-N 2 0 276.384 1.216 10 0 CDAERP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccccc1F ZINC001378307258 975326625 /nfs/dbraw/zinc/32/66/25/975326625.db2.gz XXQPGSBCTYYFJH-CQSZACIVSA-N 2 0 295.402 1.762 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@H](C)C1C[NH+](CC2CC2)C1 ZINC001378517519 975373499 /nfs/dbraw/zinc/37/34/99/975373499.db2.gz MTMLKKVGTMEEEA-DOMZBBRYSA-N 2 0 299.434 1.513 10 0 CDAERP C[C@H]1C[C@H]([NH2+]CCC(C)(C)C)CN1C(=O)CC[NH+](C)C ZINC001507318780 975413303 /nfs/dbraw/zinc/41/33/03/975413303.db2.gz JMMXBZSCCZJQGQ-KBPBESRZSA-N 2 0 283.460 1.953 10 0 CDAERP Cc1cc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)CC[NH+](C)C)C2)on1 ZINC001507318605 975413570 /nfs/dbraw/zinc/41/35/70/975413570.db2.gz IZKMJNYZLPSQJN-QWHCGFSZSA-N 2 0 294.399 1.014 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]CCCF)CN1C(=O)CC1CC[NH+](C)CC1 ZINC001507328459 975417804 /nfs/dbraw/zinc/41/78/04/975417804.db2.gz VPRZWRNVPZUQDE-DZGCQCFKSA-N 2 0 299.434 1.657 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]CC2CC2)C(C)(C)C1 ZINC001507443320 975472195 /nfs/dbraw/zinc/47/21/95/975472195.db2.gz OHZTURLCLANHIY-CYBMUJFWSA-N 2 0 267.417 1.175 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]CC2CCC2)C(C)(C)C)C1 ZINC001508031831 975581846 /nfs/dbraw/zinc/58/18/46/975581846.db2.gz ZUOSDHDYDAKBMP-HUUCEWRRSA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]C/C=C/Cl ZINC001379000909 975584048 /nfs/dbraw/zinc/58/40/48/975584048.db2.gz QQEYSTMKOJMDLE-YIALFULDSA-N 2 0 299.846 1.565 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@@H+]1CC ZINC001388774036 975587982 /nfs/dbraw/zinc/58/79/82/975587982.db2.gz MCTPTVDXGUSUJD-LSDHHAIUSA-N 2 0 281.444 1.851 10 0 CDAERP CN(CC[N@H+](C)CC1CC(C)(C)C1)C(=O)[C@@H]1CCC[NH+]1C ZINC001379029711 975608024 /nfs/dbraw/zinc/60/80/24/975608024.db2.gz BAYLLEMVOXMRIL-HNNXBMFYSA-N 2 0 295.471 1.907 10 0 CDAERP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001405110939 975630903 /nfs/dbraw/zinc/63/09/03/975630903.db2.gz IRZZQNMYTZFURA-MRXNPFEDSA-N 2 0 289.423 1.671 10 0 CDAERP CC(C)[C@H](C(=O)N(C)CC[N@H+](C)CC[C@@H](C)F)[NH+](C)C ZINC001379115032 975673805 /nfs/dbraw/zinc/67/38/05/975673805.db2.gz BVRIMVWIVFIWSO-ZIAGYGMSSA-N 2 0 289.439 1.711 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH+](C)CCCO ZINC001397808946 975729690 /nfs/dbraw/zinc/72/96/90/975729690.db2.gz UTTCGLFQHHSJEN-HNNXBMFYSA-N 2 0 299.459 1.022 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CCO[C@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001405741177 975840644 /nfs/dbraw/zinc/84/06/44/975840644.db2.gz PAJKIDBLIMBYNX-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@H](C[N@H+](C)CCCF)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001401773284 975893688 /nfs/dbraw/zinc/89/36/88/975893688.db2.gz CFOKWRXMNXYJJY-QWHCGFSZSA-N 2 0 273.396 1.124 10 0 CDAERP CC[NH+]1CCC2(C[C@@H]2NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001398327351 975947949 /nfs/dbraw/zinc/94/79/49/975947949.db2.gz ICZKGQGXUCOLQW-CABCVRRESA-N 2 0 293.455 1.851 10 0 CDAERP CC(C)[C@H](C(=O)NC[C@H]([NH2+]CCF)C1CC1)[NH+]1CCCC1 ZINC001389684242 975951557 /nfs/dbraw/zinc/95/15/57/975951557.db2.gz HOVJBYHXRQLSMR-LSDHHAIUSA-N 2 0 299.434 1.561 10 0 CDAERP CC[C@H](C(=O)N[C@]12CCC[C@@H]1[N@H+](CCOC)CC2)[NH+](C)C ZINC001379615339 975954109 /nfs/dbraw/zinc/95/41/09/975954109.db2.gz CSPJCBGHWRIVOE-YCPHGPKFSA-N 2 0 297.443 1.086 10 0 CDAERP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1[N@H+](CCF)CC2 ZINC001379625587 975963614 /nfs/dbraw/zinc/96/36/14/975963614.db2.gz LSOQRQCQVYKITK-OCCSQVGLSA-N 2 0 271.380 1.021 10 0 CDAERP C[N@H+](CCCF)C[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001398461150 975993298 /nfs/dbraw/zinc/99/32/98/975993298.db2.gz JBMZRZGOGPNLCP-GJZGRUSLSA-N 2 0 299.434 1.468 10 0 CDAERP CC(C)C[C@H](C)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001398538016 976026615 /nfs/dbraw/zinc/02/66/15/976026615.db2.gz WIYMBKYSWGENQQ-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001406133396 976054578 /nfs/dbraw/zinc/05/45/78/976054578.db2.gz ZFPANKWJPXRIAY-CABCVRRESA-N 2 0 283.460 1.765 10 0 CDAERP CN(C(=O)CC[NH+](C)C)C1CC[NH+](CC2CCC2)CC1 ZINC001402038494 976092534 /nfs/dbraw/zinc/09/25/34/976092534.db2.gz HJOHVRQRJVEWCS-UHFFFAOYSA-N 2 0 281.444 1.661 10 0 CDAERP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CCC(C)(C)C ZINC001390516378 976346317 /nfs/dbraw/zinc/34/63/17/976346317.db2.gz XXHCVABANGBYCG-KGLIPLIRSA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001390537653 976357907 /nfs/dbraw/zinc/35/79/07/976357907.db2.gz XTAZGTHKIWINAR-LLVKDONJSA-N 2 0 291.386 1.466 10 0 CDAERP CCC(CC)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001402572345 976369726 /nfs/dbraw/zinc/36/97/26/976369726.db2.gz DLDOZPADLLCLLR-ZNMIVQPWSA-N 2 0 281.444 1.754 10 0 CDAERP c1ccc(C[NH+]2CCC(Nc3cc[nH+]cc3)CC2)nc1 ZINC001515203645 976407130 /nfs/dbraw/zinc/40/71/30/976407130.db2.gz GFYVTHRCXLTIJH-UHFFFAOYSA-N 2 0 268.364 1.975 10 0 CDAERP CCC(CC)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001390719639 976454052 /nfs/dbraw/zinc/45/40/52/976454052.db2.gz OXYUVFOSLVAPIQ-ZFWWWQNUSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC001402795126 976483819 /nfs/dbraw/zinc/48/38/19/976483819.db2.gz VSUYJYYIRPRCIU-UKRRQHHQSA-N 2 0 281.444 1.565 10 0 CDAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)NCC1([NH2+]CCF)CC1 ZINC001406936018 976484030 /nfs/dbraw/zinc/48/40/30/976484030.db2.gz FHHKHKMMMFNBDF-UHFFFAOYSA-N 2 0 299.434 1.847 10 0 CDAERP CCC[N@@H+]1CC[C@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001407015705 976510910 /nfs/dbraw/zinc/51/09/10/976510910.db2.gz YXLAVVOBVZBHSY-INIZCTEOSA-N 2 0 295.471 1.909 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)CCC(C)(C)C ZINC001399499321 976533176 /nfs/dbraw/zinc/53/31/76/976533176.db2.gz SLMLABZEAZYSHZ-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001402936373 976601919 /nfs/dbraw/zinc/60/19/19/976601919.db2.gz MXZBUBGVRWYLIF-GJZGRUSLSA-N 2 0 281.444 1.661 10 0 CDAERP CC(C)[NH2+]CC1CC(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001402957682 976619377 /nfs/dbraw/zinc/61/93/77/976619377.db2.gz XRUMMLDCUMFESQ-UHFFFAOYSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC=C(Cl)Cl ZINC001403145877 976763502 /nfs/dbraw/zinc/76/35/02/976763502.db2.gz VKMJOCVEXSUCFO-ZJUUUORDSA-N 2 0 294.226 1.351 10 0 CDAERP CCC[N@H+](C)[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001381533400 976897779 /nfs/dbraw/zinc/89/77/79/976897779.db2.gz KVFCLYPAVHCBEM-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001403456481 976963825 /nfs/dbraw/zinc/96/38/25/976963825.db2.gz UBMPJACRSHXPKJ-XQLPTFJDSA-N 2 0 281.444 1.469 10 0 CDAERP CC[N@H+](C)CCC(=O)NC1(C[NH2+]C[C@H](C)O)CCCCC1 ZINC001381741416 976994987 /nfs/dbraw/zinc/99/49/87/976994987.db2.gz ZDWBBXUPTCBNDG-AWEZNQCLSA-N 2 0 299.459 1.118 10 0 CDAERP C[NH+](C)CCCC(=O)NC1C[NH+](CC2CC3(CCC3)C2)C1 ZINC001400389470 977018049 /nfs/dbraw/zinc/01/80/49/977018049.db2.gz BQPAUOHYKQUDIK-UHFFFAOYSA-N 2 0 293.455 1.709 10 0 CDAERP C[C@H](C[NH2+]CC1CCC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001392095095 977218779 /nfs/dbraw/zinc/21/87/79/977218779.db2.gz ZQBOWNIKVZESHL-HIFRSBDPSA-N 2 0 281.444 1.707 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CC2CC2)C(C)(C)C1 ZINC001403832350 977221189 /nfs/dbraw/zinc/22/11/89/977221189.db2.gz VHVNWGDVGSEZIR-CQSZACIVSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]C/C=C/Cl ZINC001400914400 977241014 /nfs/dbraw/zinc/24/10/14/977241014.db2.gz FCDYOQIXQARFEJ-WBIIUDBISA-N 2 0 273.808 1.175 10 0 CDAERP CC(C)[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC1CCCC1 ZINC001392255893 977286535 /nfs/dbraw/zinc/28/65/35/977286535.db2.gz ZPWPUDMVQXTEBD-HOTGVXAUSA-N 2 0 295.471 1.859 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCC[NH+]2C/C=C\Cl)C1 ZINC001404028444 977310717 /nfs/dbraw/zinc/31/07/17/977310717.db2.gz VNEPZNNRXFUELD-UZBOCLDFSA-N 2 0 299.846 1.661 10 0 CDAERP C[C@H](C[NH2+]CC1CCCC1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001392478692 977455299 /nfs/dbraw/zinc/45/52/99/977455299.db2.gz ZZPHFXKDWMJJRI-CZUORRHYSA-N 2 0 293.455 1.613 10 0 CDAERP C[C@H](C[NH2+]CC1CCCC1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001392478690 977455343 /nfs/dbraw/zinc/45/53/43/977455343.db2.gz ZZPHFXKDWMJJRI-CJNGLKHVSA-N 2 0 293.455 1.613 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@]2(C)CC[NH+](CC3CC3)C2)C1 ZINC001393116638 977708870 /nfs/dbraw/zinc/70/88/70/977708870.db2.gz GVPLZDMUIDYXDG-GOEBONIOSA-N 2 0 279.428 1.319 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC1CC1 ZINC001394068456 978048098 /nfs/dbraw/zinc/04/80/98/978048098.db2.gz SSVVDSZSCJYMQZ-ZFWWWQNUSA-N 2 0 281.444 1.707 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCF ZINC001394566638 978198651 /nfs/dbraw/zinc/19/86/51/978198651.db2.gz LWFOISXAAINRGG-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP C[C@@H]1CN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@@H](C)CN1C ZINC000810845919 1163322920 /nfs/dbraw/zinc/32/29/20/1163322920.db2.gz HGYCJHFCEWOFFB-DVOMOZLQSA-N 2 0 299.434 1.750 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC)CC1(C)C ZINC001675480542 1174117444 /nfs/dbraw/zinc/11/74/44/1174117444.db2.gz QOERIUQZKUNTLV-CYBMUJFWSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCCC2)CC[N@@H+]1C ZINC001620943906 1174170371 /nfs/dbraw/zinc/17/03/71/1174170371.db2.gz HHWFQXTXIULMTE-QWHCGFSZSA-N 2 0 267.417 1.460 10 0 CDAERP CO[C@@H](C)C[NH2+]CCC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001571304905 1170361978 /nfs/dbraw/zinc/36/19/78/1170361978.db2.gz QJYMXFYMTSLKPR-KGLIPLIRSA-N 2 0 299.459 1.238 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCCOCC[NH+](C)C(C)C ZINC001571346016 1170375391 /nfs/dbraw/zinc/37/53/91/1170375391.db2.gz JWUWJOBXJVMQAU-HNNXBMFYSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)OCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001571563741 1170479358 /nfs/dbraw/zinc/47/93/58/1170479358.db2.gz PQBIJKASEAHXDD-CQSZACIVSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)(C)[C@H](C[NH2+]CCF)NC(=O)C[NH+]1CCCC1 ZINC001571637784 1170500688 /nfs/dbraw/zinc/50/06/88/1170500688.db2.gz COQVLGBDBJKPCA-LBPRGKRZSA-N 2 0 273.396 1.172 10 0 CDAERP C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)NCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001650551931 1171171841 /nfs/dbraw/zinc/17/18/41/1171171841.db2.gz RQUAEAPIYPZMJK-RRFJBIMHSA-N 2 0 294.443 1.112 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1C[N@H+](C)CC1(C)C ZINC001652492477 1171445053 /nfs/dbraw/zinc/44/50/53/1171445053.db2.gz YPRAZSUUJKVTEN-UPJWGTAASA-N 2 0 267.417 1.316 10 0 CDAERP CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001656453971 1171827129 /nfs/dbraw/zinc/82/71/29/1171827129.db2.gz PQNMXTRRENHKGL-CABCVRRESA-N 2 0 293.455 1.709 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CC ZINC001656734008 1171866511 /nfs/dbraw/zinc/86/65/11/1171866511.db2.gz OFLVMPOYFDUVMW-QWHCGFSZSA-N 2 0 267.417 1.317 10 0 CDAERP C/C=C/C[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)CC)C1 ZINC000626163557 342477303 /nfs/dbraw/zinc/47/73/03/342477303.db2.gz MGFGWVITZVDWLC-WYVSAIIBSA-N 2 0 254.418 1.977 10 0 CDAERP CC[NH2+]Cc1sc(CC[NH+](C)C)nc1COC ZINC000082446877 178024650 /nfs/dbraw/zinc/02/46/50/178024650.db2.gz FVJHPENOPAARKF-UHFFFAOYSA-N 2 0 257.403 1.503 10 0 CDAERP CC[C@@H](Cn1cncn1)[NH2+]Cc1ccccc1C[NH2+]C ZINC000650757170 398181138 /nfs/dbraw/zinc/18/11/38/398181138.db2.gz QFRTXRJASHYEOP-HNNXBMFYSA-N 2 0 273.384 1.566 10 0 CDAERP CSC1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000601324986 342553382 /nfs/dbraw/zinc/55/33/82/342553382.db2.gz UDWOLSJNZHVQGX-NSHDSACASA-N 2 0 256.415 1.335 10 0 CDAERP C[NH+](C)[C@@H]1CCN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000093677737 342062142 /nfs/dbraw/zinc/06/21/42/342062142.db2.gz AFVJPGHUHHNXOL-WTUNAVPPSA-N 2 0 265.401 1.070 10 0 CDAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@]3(C)CCC[NH2+]3)CC[C@H]21 ZINC000167540254 342073820 /nfs/dbraw/zinc/07/38/20/342073820.db2.gz AFRYPWSQULWDFN-NFAWXSAZSA-N 2 0 265.401 1.071 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)C1CC[NH+](C2CC2)CC1 ZINC000425981700 282118825 /nfs/dbraw/zinc/11/88/25/282118825.db2.gz SKHSTEADBUVISK-HNNXBMFYSA-N 2 0 279.428 1.413 10 0 CDAERP CC(C)[NH+](CCNC(=O)[C@]1(C)CCCC[NH2+]1)C(C)C ZINC000136193653 342071560 /nfs/dbraw/zinc/07/15/60/342071560.db2.gz WAFQFAQKKVJYDX-HNNXBMFYSA-N 2 0 269.433 1.754 10 0 CDAERP CC[C@H](C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)[NH+](C)C ZINC000617012141 342604338 /nfs/dbraw/zinc/60/43/38/342604338.db2.gz VJCCVHFJACLCKW-VXGBXAGGSA-N 2 0 255.406 1.316 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000617014401 342607967 /nfs/dbraw/zinc/60/79/67/342607967.db2.gz ITFUNIMOWXJGPW-UONOGXRCSA-N 2 0 281.444 1.850 10 0 CDAERP C[C@H](O)CCC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000354741486 365658477 /nfs/dbraw/zinc/65/84/77/365658477.db2.gz XPBFFDJBGQFKOJ-PMRDEQMMSA-N 2 0 295.471 1.390 10 0 CDAERP O=C(CC[C@H]1CCC[NH2+]C1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000621658000 342153345 /nfs/dbraw/zinc/15/33/45/342153345.db2.gz ZMAVNFMCCDZIOD-ZBFHGGJFSA-N 2 0 279.428 1.368 10 0 CDAERP CCO[C@@H](C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1)C1CC1 ZINC000625508577 342179756 /nfs/dbraw/zinc/17/97/56/342179756.db2.gz CBRZLMNSLZXLJS-HNNXBMFYSA-N 2 0 282.428 1.598 10 0 CDAERP CCOC(=O)CCCC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366489721 361888924 /nfs/dbraw/zinc/88/89/24/361888924.db2.gz MSRSPPXYXJZREK-HNNXBMFYSA-N 2 0 268.401 1.747 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](C)Oc1cccc(F)c1 ZINC000422785949 536594463 /nfs/dbraw/zinc/59/44/63/536594463.db2.gz KGZPZCDQSJOPFN-TZMCWYRMSA-N 2 0 284.375 1.937 10 0 CDAERP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000353517955 539098212 /nfs/dbraw/zinc/09/82/12/539098212.db2.gz LAZJJLCFOGUFQQ-QLFBSQMISA-N 2 0 253.434 1.647 10 0 CDAERP CC[NH+](CC)CCC[NH2+][C@H](C)[C@@H]1C[C@H]1C(=O)OC ZINC000594929283 342974091 /nfs/dbraw/zinc/97/40/91/342974091.db2.gz TVGZHBDGCDHQFW-FRRDWIJNSA-N 2 0 256.390 1.506 10 0 CDAERP C[C@H]1C[C@H](C)C[NH+](CCN2CC[NH+](CCCF)CC2)C1 ZINC000626070060 342298843 /nfs/dbraw/zinc/29/88/43/342298843.db2.gz XTUNUNCFUBRTOE-HOTGVXAUSA-N 2 0 285.451 1.942 10 0 CDAERP C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000250342682 282199270 /nfs/dbraw/zinc/19/92/70/282199270.db2.gz DFHNGDNPFGXQCD-DGAVXFQQSA-N 2 0 265.401 1.070 10 0 CDAERP CC[C@@H]1C[C@H]([NH2+]CC2(SC)CC[NH+](C)CC2)CO1 ZINC000594945456 342980137 /nfs/dbraw/zinc/98/01/37/342980137.db2.gz VNJYRYXIDOWRBD-QWHCGFSZSA-N 2 0 272.458 1.971 10 0 CDAERP CC[C@H]1C[C@H]([NH2+]CC2(SC)CC[NH+](C)CC2)CO1 ZINC000594945457 342980192 /nfs/dbraw/zinc/98/01/92/342980192.db2.gz VNJYRYXIDOWRBD-STQMWFEESA-N 2 0 272.458 1.971 10 0 CDAERP COC(=O)c1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cs1 ZINC000595896124 343183268 /nfs/dbraw/zinc/18/32/68/343183268.db2.gz ZYQWVTVXLLLSKU-BETUJISGSA-N 2 0 294.420 1.966 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCCN1CC(F)F ZINC000629519387 362138774 /nfs/dbraw/zinc/13/87/74/362138774.db2.gz PXRJSGHTGSGXCM-RYUDHWBXSA-N 2 0 279.375 1.059 10 0 CDAERP CCO[C@H]1C[C@H]([NH2+]CCOCC[NH2+]C)C12CCC2 ZINC000629529521 362157476 /nfs/dbraw/zinc/15/74/76/362157476.db2.gz GBFIUNVNSXQLLD-STQMWFEESA-N 2 0 256.390 1.160 10 0 CDAERP CCCN(CC(F)(F)F)C(=O)CN1CC[C@](C)(C[NH3+])C1 ZINC000629530624 362158757 /nfs/dbraw/zinc/15/87/57/362158757.db2.gz LXXBTWHILKLCBF-GFCCVEGCSA-N 2 0 295.349 1.458 10 0 CDAERP CC[N@@H+]1CC[C@@H](CNC(=O)CC[C@H]2CCCC[NH+]2C)C1 ZINC000351899626 362147949 /nfs/dbraw/zinc/14/79/49/362147949.db2.gz SXPDYOLXANECOA-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H]([NH3+])c1ccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000142046240 342448016 /nfs/dbraw/zinc/44/80/16/342448016.db2.gz NCSRWXOECQZTOK-VBNZEHGJSA-N 2 0 259.397 1.985 10 0 CDAERP Cc1cc(C)n2c(CN3CC[C@@H]([NH3+])C[C@@H]3C)cnc2n1 ZINC000574998940 362314461 /nfs/dbraw/zinc/31/44/61/362314461.db2.gz COAHTXLCIUHLHB-WCQYABFASA-N 2 0 273.384 1.658 10 0 CDAERP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C1C[NH2+]C1 ZINC000263234231 362367401 /nfs/dbraw/zinc/36/74/01/362367401.db2.gz BJFMPAZIOICNFJ-UHFFFAOYSA-N 2 0 275.396 1.316 10 0 CDAERP C[NH+](C)Cc1cccc(NC(=O)NC/C=C\C[NH3+])c1 ZINC000623059021 344282385 /nfs/dbraw/zinc/28/23/85/344282385.db2.gz OWJQTKHJISKAKW-ARJAWSKDSA-N 2 0 262.357 1.385 10 0 CDAERP CNC(=O)C(C)(C)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623468954 347050348 /nfs/dbraw/zinc/05/03/48/347050348.db2.gz LICYJARYKIEHDA-LLVKDONJSA-N 2 0 255.406 1.221 10 0 CDAERP COc1ccc(F)c(C[NH2+]CCCN(C)CC[NH+](C)C)c1 ZINC000623087570 345200377 /nfs/dbraw/zinc/20/03/77/345200377.db2.gz YYXOYYCMXBMRCU-UHFFFAOYSA-N 2 0 297.418 1.807 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000052521764 345275493 /nfs/dbraw/zinc/27/54/93/345275493.db2.gz IBASGEXLCMVEPE-ZDUSSCGKSA-N 2 0 280.416 1.007 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2(O)CCCC2)[C@H]2CCC[C@H]21 ZINC000671747473 482542788 /nfs/dbraw/zinc/54/27/88/482542788.db2.gz ZUHROXDNTXRLFY-HZSPNIEDSA-N 2 0 252.402 1.754 10 0 CDAERP C[N@@H+]1CC[C@H](NCC[NH+]2CCCCC2)CC1(C)C ZINC000623351173 346079152 /nfs/dbraw/zinc/07/91/52/346079152.db2.gz DTZPJJJRVKJLRH-AWEZNQCLSA-N 2 0 253.434 1.935 10 0 CDAERP CCN1CC[NH+](CCCC[NH2+]Cc2ccnc(C)c2)CC1 ZINC000623357064 346085500 /nfs/dbraw/zinc/08/55/00/346085500.db2.gz YNMXUYREZQCHRO-UHFFFAOYSA-N 2 0 290.455 1.897 10 0 CDAERP COCC[NH+]1CCC(N[C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623377674 346113747 /nfs/dbraw/zinc/11/37/47/346113747.db2.gz FUQHPZALQCLCNI-HNNXBMFYSA-N 2 0 283.460 1.560 10 0 CDAERP CN(C)C(=O)CCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623380010 346116502 /nfs/dbraw/zinc/11/65/02/346116502.db2.gz NSLFCUKQARIZFZ-LBPRGKRZSA-N 2 0 255.406 1.317 10 0 CDAERP Cc1nccn1CC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623387176 346120941 /nfs/dbraw/zinc/12/09/41/346120941.db2.gz OBCLUWZVESRDEY-CYBMUJFWSA-N 2 0 250.390 1.654 10 0 CDAERP CC(C)[C@H]1CCC[N@H+](C[C@@](O)(C[NH3+])C2CC2)CC1 ZINC000085301893 179010083 /nfs/dbraw/zinc/01/00/83/179010083.db2.gz AKSGXGLNWHRILH-ZFWWWQNUSA-N 2 0 254.418 1.844 10 0 CDAERP C[C@H](C[C@@](C)(O)C[NH3+])[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000085300356 179010286 /nfs/dbraw/zinc/01/02/86/179010286.db2.gz QPVNHZZFBXFJKJ-LXTVHRRPSA-N 2 0 254.418 1.987 10 0 CDAERP C[NH+](C)Cc1cccc(NC(=O)[C@H]2CCC[C@H]2[NH3+])c1 ZINC000085361437 179032990 /nfs/dbraw/zinc/03/29/90/179032990.db2.gz RWFMNVLWCSZFRA-UONOGXRCSA-N 2 0 261.369 1.814 10 0 CDAERP CCc1nc2c(n1[C@@H]1C[NH+]3CCC1CC3)CC[NH2+]C2 ZINC000085568692 179094877 /nfs/dbraw/zinc/09/48/77/179094877.db2.gz INTHADUBIULBOV-CQSZACIVSA-N 2 0 260.385 1.358 10 0 CDAERP CN1CCC[C@@H]([NH+]2CCC(C[NH+]3CCCC3)CC2)C1=O ZINC000539803145 282479142 /nfs/dbraw/zinc/47/91/42/282479142.db2.gz KZPOLOFQMKOWBV-OAHLLOKOSA-N 2 0 279.428 1.415 10 0 CDAERP CC[C@@H](C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)OC ZINC000412978982 362740280 /nfs/dbraw/zinc/74/02/80/362740280.db2.gz ROLGLRYQWUVZOV-HOTGVXAUSA-N 2 0 283.460 1.513 10 0 CDAERP CCc1nc2c(n1[C@H](C)CC[NH+](C)C)CC[NH2+]C2 ZINC000085573459 179098279 /nfs/dbraw/zinc/09/82/79/179098279.db2.gz WVPVJCMPBUYOFA-LLVKDONJSA-N 2 0 250.390 1.604 10 0 CDAERP C[NH+](C)CCCCn1c2c(nc1C1CC1)C[NH2+]CC2 ZINC000085572972 179098817 /nfs/dbraw/zinc/09/88/17/179098817.db2.gz DGYRSWHMMRCQLZ-UHFFFAOYSA-N 2 0 262.401 1.748 10 0 CDAERP COc1cc(CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)on1 ZINC000641797383 365866073 /nfs/dbraw/zinc/86/60/73/365866073.db2.gz BPHRYCYGPXKXAU-ZACCUICWSA-N 2 0 251.330 1.398 10 0 CDAERP CC[NH+](CC)CCSCc1cccc(NN)[nH+]1 ZINC000086118236 179234847 /nfs/dbraw/zinc/23/48/47/179234847.db2.gz ZKRFVTIWCAJOLM-UHFFFAOYSA-N 2 0 254.403 1.942 10 0 CDAERP c1ccc(C[C@H]2CN([C@@H]3C[NH+]4CCC3CC4)CC[NH2+]2)cc1 ZINC000086124905 179235527 /nfs/dbraw/zinc/23/55/27/179235527.db2.gz YVBAJFPBTDLHIU-ZWKOTPCHSA-N 2 0 285.435 1.597 10 0 CDAERP C[C@@H]1CN(C[C@@H]2CC[N@H+](C)C2)[C@H](c2ccccc2)C[NH2+]1 ZINC000086171845 179242943 /nfs/dbraw/zinc/24/29/43/179242943.db2.gz CXMIVYBHLUQNBJ-INMHGKMJSA-N 2 0 273.424 1.973 10 0 CDAERP C[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223156 179251443 /nfs/dbraw/zinc/25/14/43/179251443.db2.gz DWTXHZJNVWTQGQ-MGPQQGTHSA-N 2 0 253.434 1.647 10 0 CDAERP CCNC(=O)[C@@H](N[C@@H]1CC[N@H+](C)C(C)(C)C1)C(C)C ZINC000623532335 347618647 /nfs/dbraw/zinc/61/86/47/347618647.db2.gz NMYZDVZMLNTYBS-OLZOCXBDSA-N 2 0 269.433 1.610 10 0 CDAERP COC[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C1CCOCC1 ZINC000623562865 347634169 /nfs/dbraw/zinc/63/41/69/347634169.db2.gz GDAYNOTUYNPTAE-LSDHHAIUSA-N 2 0 284.444 1.890 10 0 CDAERP CCOC1CC(O)(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623509086 347609574 /nfs/dbraw/zinc/60/95/74/347609574.db2.gz RXNVLXJQXSIDQU-OPFPJEHXSA-N 2 0 270.417 1.379 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@H]1CCCN1C ZINC000623634632 348493521 /nfs/dbraw/zinc/49/35/21/348493521.db2.gz NMRCPGLRMQQHCP-MRXNPFEDSA-N 2 0 285.395 1.760 10 0 CDAERP C[NH2+]C[C@H](c1ccc(Cl)cc1)N1CC[NH+](C)CC1 ZINC000084170573 349221792 /nfs/dbraw/zinc/22/17/92/349221792.db2.gz BIKDKQOBJLEMAM-CQSZACIVSA-N 2 0 267.804 1.848 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)Cc2cccc(C(N)=O)c2)[C@H](C)C1 ZINC000174778322 365959037 /nfs/dbraw/zinc/95/90/37/365959037.db2.gz HWQNNKQQSTYWEH-CZUORRHYSA-N 2 0 289.423 1.948 10 0 CDAERP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629536117 362950221 /nfs/dbraw/zinc/95/02/21/362950221.db2.gz DUDNAJIBQJMVOQ-OSMZGAPFSA-N 2 0 262.401 1.640 10 0 CDAERP C[C@@H]([NH2+]CCOCCC[NH3+])c1nc2ccccc2n1C ZINC000629538932 362955300 /nfs/dbraw/zinc/95/53/00/362955300.db2.gz NJQXTYYOUPRVQB-GFCCVEGCSA-N 2 0 276.384 1.589 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)NCC2(C)CC[NH2+]CC2)CC[N@@H+]1C ZINC000334936375 297257507 /nfs/dbraw/zinc/25/75/07/297257507.db2.gz VILYOBLCZZYPGL-KGLIPLIRSA-N 2 0 296.459 1.500 10 0 CDAERP C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000106917129 186150908 /nfs/dbraw/zinc/15/09/08/186150908.db2.gz RPLINYJGOULRGC-HZPDHXFCSA-N 2 0 289.423 1.322 10 0 CDAERP CC(C)[C@H]([NH2+]CCOCCC[NH3+])c1ccc(F)cn1 ZINC000629535265 362960891 /nfs/dbraw/zinc/96/08/91/362960891.db2.gz BYMOWHIRFOEIMX-AWEZNQCLSA-N 2 0 269.364 1.873 10 0 CDAERP COc1ccc([C@@H](C)[NH2+]CCOCCC[NH3+])cc1F ZINC000629541985 362966785 /nfs/dbraw/zinc/96/67/85/362966785.db2.gz VUMCZFOOIUVUGE-LLVKDONJSA-N 2 0 270.348 1.850 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000629546345 362972931 /nfs/dbraw/zinc/97/29/31/362972931.db2.gz OYGUOMYVRDZIII-VQJWOFKYSA-N 2 0 252.402 1.922 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1cncc(Cl)c1 ZINC000629571720 363026973 /nfs/dbraw/zinc/02/69/73/363026973.db2.gz HXGPQPAYYRZUPP-UHFFFAOYSA-N 2 0 257.765 1.403 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1ccc(C)nc1C ZINC000629572214 363027896 /nfs/dbraw/zinc/02/78/96/363027896.db2.gz OOCCSYOZXZIBTQ-UHFFFAOYSA-N 2 0 251.374 1.366 10 0 CDAERP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)CN(C)C2CC2)CC1 ZINC000569838023 363130900 /nfs/dbraw/zinc/13/09/00/363130900.db2.gz ZSQDWDCMUUQVAN-MRXNPFEDSA-N 2 0 283.460 1.153 10 0 CDAERP c1cc(N[C@H]2CCC[NH2+]CC2)ncc1N1CC[NH2+]CC1 ZINC000333816804 363170664 /nfs/dbraw/zinc/17/06/64/363170664.db2.gz KGTXUDVTHNSMQB-ZDUSSCGKSA-N 2 0 275.400 1.045 10 0 CDAERP O=C(NCCC[C@@H]1CCC[NH2+]1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000641988297 366092407 /nfs/dbraw/zinc/09/24/07/366092407.db2.gz PTMPKFIFEURJNA-GOEBONIOSA-N 2 0 294.443 1.304 10 0 CDAERP COC[C@]1(C)C[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000629674148 363321267 /nfs/dbraw/zinc/32/12/67/363321267.db2.gz WTVMLSJCZPOSKK-RDBSUJKOSA-N 2 0 256.390 1.112 10 0 CDAERP COC(=O)CC[N@H+](CC(C)C)C[C@@H]([NH3+])CC(C)C ZINC000414701853 291020168 /nfs/dbraw/zinc/02/01/68/291020168.db2.gz KYOWDLMRTFYUDU-ZDUSSCGKSA-N 2 0 258.406 1.881 10 0 CDAERP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@@H](O)CC2CCCC2)CC1 ZINC000644562276 366188940 /nfs/dbraw/zinc/18/89/40/366188940.db2.gz HQZQFMCXQNFZOW-INIZCTEOSA-N 2 0 297.487 1.543 10 0 CDAERP C[N@H+]1CC=C(C[NH2+]Cc2cnn3ccccc23)CC1 ZINC000271773286 191317820 /nfs/dbraw/zinc/31/78/20/191317820.db2.gz BVVVHKQTCKBSHN-UHFFFAOYSA-N 2 0 256.353 1.686 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634764329 358499213 /nfs/dbraw/zinc/49/92/13/358499213.db2.gz QELMEVAHXFYECH-UONOGXRCSA-N 2 0 283.460 1.892 10 0 CDAERP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H]1CCCC[NH2+]C1 ZINC000643545402 356001164 /nfs/dbraw/zinc/00/11/64/356001164.db2.gz LVUCNTOTAKSQHR-GXTWGEPZSA-N 2 0 262.401 1.641 10 0 CDAERP CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000627615864 356245396 /nfs/dbraw/zinc/24/53/96/356245396.db2.gz RMVMDFKQCHHIJN-ZDUSSCGKSA-N 2 0 267.417 1.271 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000418196642 283176654 /nfs/dbraw/zinc/17/66/54/283176654.db2.gz DNNKWTINNOTIMD-BFHYXJOUSA-N 2 0 284.448 1.404 10 0 CDAERP O=C([C@@H]1CCC[NH2+]C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000037826152 356543047 /nfs/dbraw/zinc/54/30/47/356543047.db2.gz ARXVILNUCVKSBW-OAHLLOKOSA-N 2 0 279.428 1.320 10 0 CDAERP C[C@@H](O)[C@H](C)[NH2+]Cc1ccc(CC[NH+](C)C)cc1 ZINC000644629851 366266250 /nfs/dbraw/zinc/26/62/50/366266250.db2.gz RSTDSOYMJATDEU-QWHCGFSZSA-N 2 0 250.386 1.650 10 0 CDAERP CC1([NH+]2CCOCC2)CCC(N2CC[C@H]([NH3+])C2)CC1 ZINC000725262988 538455108 /nfs/dbraw/zinc/45/51/08/538455108.db2.gz ZPIIYTSXVODBCC-NFOMZHRRSA-N 2 0 267.417 1.053 10 0 CDAERP C[NH+](C)CCOc1ccc(CC[NH2+]Cc2cocn2)cc1 ZINC000277113943 366308742 /nfs/dbraw/zinc/30/87/42/366308742.db2.gz XVXJCSZNYQTUIG-UHFFFAOYSA-N 2 0 289.379 1.947 10 0 CDAERP CC(C)[NH+](CCCNC(=O)N[C@@H]1CCC[N@H+](C)C1)C(C)C ZINC000074857762 538530633 /nfs/dbraw/zinc/53/06/33/538530633.db2.gz RIBSUIDCAVMJTB-OAHLLOKOSA-N 2 0 298.475 1.889 10 0 CDAERP COCCN1CCC[C@H]1C[NH2+]C[C@H](O)CC1CCCC1 ZINC000564844198 357368608 /nfs/dbraw/zinc/36/86/08/357368608.db2.gz JWMVNLHQZUIAES-JKSUJKDBSA-N 2 0 284.444 1.628 10 0 CDAERP C[C@@](O)(C[C@H](O)C[NH2+]CC1CC[NH+](C2CC2)CC1)C1CC1 ZINC000634713601 357414390 /nfs/dbraw/zinc/41/43/90/357414390.db2.gz YTGAGEGABRBNSE-DLBZAZTESA-N 2 0 296.455 1.362 10 0 CDAERP CC[NH+]1CCC(CC[NH2+]C[C@H](O)C[C@](C)(O)C2CC2)CC1 ZINC000634706154 357378623 /nfs/dbraw/zinc/37/86/23/357378623.db2.gz LPQNUIPMQNCPAD-SJORKVTESA-N 2 0 298.471 1.610 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000070576895 283318318 /nfs/dbraw/zinc/31/83/18/283318318.db2.gz LOAZFJLGNFQTTH-KBPBESRZSA-N 2 0 281.444 1.837 10 0 CDAERP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000572599583 358541490 /nfs/dbraw/zinc/54/14/90/358541490.db2.gz DPEAVRKCFDAKDH-ABXWRUBCSA-N 2 0 267.417 1.221 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000054307341 358711349 /nfs/dbraw/zinc/71/13/49/358711349.db2.gz XUGJVCDVYVKOIC-ZDUSSCGKSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H](C)[C@@H](C)[NH3+])CC2 ZINC000572944600 358739951 /nfs/dbraw/zinc/73/99/51/358739951.db2.gz QHMAKJFICWYIBI-RQJABVFESA-N 2 0 282.432 1.379 10 0 CDAERP O=C(C[C@H]1CCC[NH2+]1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000042170188 358908712 /nfs/dbraw/zinc/90/87/12/358908712.db2.gz MCWNGMVAEBJOSU-OAHLLOKOSA-N 2 0 279.428 1.463 10 0 CDAERP CC(C)[NH+]1CCN(C(=O)c2ccccc2CC[NH3+])CC1 ZINC000070551867 358968789 /nfs/dbraw/zinc/96/87/89/358968789.db2.gz FRUJCTFSCYVXEL-UHFFFAOYSA-N 2 0 275.396 1.354 10 0 CDAERP CCCNC(=O)[C@@H]1CCC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261884114 359076036 /nfs/dbraw/zinc/07/60/36/359076036.db2.gz RMUYEYWHVBJSDH-HIFRSBDPSA-N 2 0 267.417 1.224 10 0 CDAERP Fc1cccc(F)c1N1CC[C@H](N[C@@H]2CC[NH2+]C2)C1 ZINC000335251180 359112902 /nfs/dbraw/zinc/11/29/02/359112902.db2.gz MXRBDLSWBHTNDV-MNOVXSKESA-N 2 0 267.323 1.495 10 0 CDAERP CC[C@H](C(=O)NC1CC([NH+]2CCCCC2)C1)[NH+](C)C ZINC000365433437 359430268 /nfs/dbraw/zinc/43/02/68/359430268.db2.gz XBBDTDUALUMHSY-JXQTWKCFSA-N 2 0 267.417 1.460 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCN[C@@H]1CCC[C@H]1C[NH3+] ZINC000422887081 359666602 /nfs/dbraw/zinc/66/66/02/359666602.db2.gz JZBQSYZGYVLNHR-LJISPDSOSA-N 2 0 253.434 1.966 10 0 CDAERP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1=O ZINC000422917974 359674234 /nfs/dbraw/zinc/67/42/34/359674234.db2.gz GKYUJVATQWYUGX-FWXGHANASA-N 2 0 291.439 1.506 10 0 CDAERP C(C[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)CN1CC[NH2+]CC1 ZINC000423176419 359754970 /nfs/dbraw/zinc/75/49/70/359754970.db2.gz CFFAQISLUPMBJH-BRWVUGGUSA-N 2 0 295.471 1.467 10 0 CDAERP CO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)C12CCC2 ZINC000423169723 359755686 /nfs/dbraw/zinc/75/56/86/359755686.db2.gz KIDVBNNCMHZROG-XDQVBPFNSA-N 2 0 252.402 1.922 10 0 CDAERP O=C(NCC[NH2+]C1CC1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000637362909 359796491 /nfs/dbraw/zinc/79/64/91/359796491.db2.gz JWWGVZVKWUDZCD-OAHLLOKOSA-N 2 0 294.443 1.398 10 0 CDAERP C[C@@H](CNC(=O)C1CCC([NH3+])CC1)C[NH+]1CCCC1 ZINC000059931043 359824930 /nfs/dbraw/zinc/82/49/30/359824930.db2.gz GNLJZJSIFDUCJG-HSBZDZAISA-N 2 0 267.417 1.352 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCn2ccnc2C)[C@H](C)C1 ZINC000336800881 359866798 /nfs/dbraw/zinc/86/67/98/359866798.db2.gz OAENJGSTWIGJHG-UKRRQHHQSA-N 2 0 264.417 1.854 10 0 CDAERP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cnc(C)nc2)CC1 ZINC000356916994 366631269 /nfs/dbraw/zinc/63/12/69/366631269.db2.gz LLAOFPIIWWKRAR-AWEZNQCLSA-N 2 0 291.443 1.148 10 0 CDAERP CN1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1=O ZINC000424371548 360024976 /nfs/dbraw/zinc/02/49/76/360024976.db2.gz FYJQJFVCHMCJFG-ZJIFWQFVSA-N 2 0 293.455 1.755 10 0 CDAERP CC(C)[C@@H]([NH3+])C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088164317 360148166 /nfs/dbraw/zinc/14/81/66/360148166.db2.gz DATXARLSVCOJIV-PSEXLTFBSA-N 2 0 253.390 1.101 10 0 CDAERP O=C(C[C@H]1CC[NH2+]C1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000335397121 360151840 /nfs/dbraw/zinc/15/18/40/360151840.db2.gz VEGKJMGJWHYWEM-HIFRSBDPSA-N 2 0 273.380 1.159 10 0 CDAERP C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1[NH3+] ZINC000335379302 360128929 /nfs/dbraw/zinc/12/89/29/360128929.db2.gz IPJJVEFONVCXRT-BXUZGUMPSA-N 2 0 261.369 1.167 10 0 CDAERP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@]1(C)C[NH3+] ZINC000335544093 360358310 /nfs/dbraw/zinc/35/83/10/360358310.db2.gz QZYJYGSERZIZRM-UKRRQHHQSA-N 2 0 267.417 1.162 10 0 CDAERP Cn1c2ccc(C[NH2+][C@H]3CC[C@@H](C[NH3+])C3)cc2sc1=O ZINC000516551204 360617224 /nfs/dbraw/zinc/61/72/24/360617224.db2.gz WIOSKVWESADFOX-PWSUYJOCSA-N 2 0 291.420 1.817 10 0 CDAERP CC(C)[NH+](CCNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)C(C)C ZINC000626919856 360635368 /nfs/dbraw/zinc/63/53/68/360635368.db2.gz NMQFWCYLZYHVBC-ZIAGYGMSSA-N 2 0 284.448 1.545 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C[NH2+]1 ZINC000626940656 360671690 /nfs/dbraw/zinc/67/16/90/360671690.db2.gz SNNKOVARDBIYAG-RQJABVFESA-N 2 0 280.416 1.053 10 0 CDAERP C[C@@H](CNC(=O)N[C@@H]1CC[NH2+][C@H]1C)[NH+]1CCC(C)CC1 ZINC000626952196 360696290 /nfs/dbraw/zinc/69/62/90/360696290.db2.gz CDRPAALVGKTFAL-MELADBBJSA-N 2 0 282.432 1.156 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000417856118 360785156 /nfs/dbraw/zinc/78/51/56/360785156.db2.gz RWUSMMOWHCSDJY-MQYQWHSLSA-N 2 0 282.432 1.156 10 0 CDAERP C[C@@H](CCCC[NH3+])NC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000417818149 360777448 /nfs/dbraw/zinc/77/74/48/360777448.db2.gz ALOILTDYOYMERK-RYUDHWBXSA-N 2 0 255.406 1.398 10 0 CDAERP COC1(C[C@@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)CCC1 ZINC000429518328 360846439 /nfs/dbraw/zinc/84/64/39/360846439.db2.gz LTAUDUMCJJPSSO-HZPDHXFCSA-N 2 0 297.487 1.807 10 0 CDAERP C[C@H]([NH2+]C[C@H](c1cccs1)N(C)C)[C@@H]1CC[NH2+]C1 ZINC000400324776 299317233 /nfs/dbraw/zinc/31/72/33/299317233.db2.gz BAHWJUJVGJSMGO-YNEHKIRRSA-N 2 0 267.442 1.938 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@@H](C[NH3+])C2CC2)cc1 ZINC000418403862 296030188 /nfs/dbraw/zinc/03/01/88/296030188.db2.gz PVDGTDZDWQMVLD-YGRLFVJLSA-N 2 0 276.384 1.243 10 0 CDAERP O=C(Nc1cnn(CC[NH+]2CCCCC2)c1)[C@H]1CCC[NH2+]1 ZINC000238096839 361528236 /nfs/dbraw/zinc/52/82/36/361528236.db2.gz BHTQQUQBZSFAIM-CQSZACIVSA-N 2 0 291.399 1.060 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000566862702 316693556 /nfs/dbraw/zinc/69/35/56/316693556.db2.gz QFNNFNLBUURTMW-YPMHNXCESA-N 2 0 261.369 1.045 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)NC[C@H](C)[NH+](C)C)CC1 ZINC000455424169 252392697 /nfs/dbraw/zinc/39/26/97/252392697.db2.gz COQSPZUGLGNNTF-ZDUSSCGKSA-N 2 0 284.448 1.358 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000357238894 366853787 /nfs/dbraw/zinc/85/37/87/366853787.db2.gz YSLXJYXPGACYBK-STQMWFEESA-N 2 0 255.406 1.269 10 0 CDAERP [NH3+]C1(C(=O)N2CCC[C@@H]([NH+]3CCCCC3)C2)CCCC1 ZINC000373039477 364565362 /nfs/dbraw/zinc/56/53/62/364565362.db2.gz GKJDQNIILXODQD-CQSZACIVSA-N 2 0 279.428 1.735 10 0 CDAERP C[C@@H](C[NH+](C)C)NC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000352997075 364702581 /nfs/dbraw/zinc/70/25/81/364702581.db2.gz KAFMPKJWNHCRSJ-MELADBBJSA-N 2 0 284.448 1.499 10 0 CDAERP COC[C@@H](C)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000187196955 364716111 /nfs/dbraw/zinc/71/61/11/364716111.db2.gz DSLSUDFEBYMPGT-JKSUJKDBSA-N 2 0 283.460 1.371 10 0 CDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCOC(C)(C)C)CC1 ZINC000105862697 364724073 /nfs/dbraw/zinc/72/40/73/364724073.db2.gz IZOLXNPVDPYKQA-AWEZNQCLSA-N 2 0 286.460 1.826 10 0 CDAERP C[C@H](CO)CCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353620376 365338099 /nfs/dbraw/zinc/33/80/99/365338099.db2.gz JSZYKHFCFIXFBZ-XQLPTFJDSA-N 2 0 254.418 1.857 10 0 CDAERP Cc1nc2c(c(N3CCN(C4CC4)CC3)n1)CCCC2 ZINC000272840253 365417735 /nfs/dbraw/zinc/41/77/35/365417735.db2.gz INSXPESLZZROKE-UHFFFAOYSA-N 2 0 272.396 1.948 10 0 CDAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCC[C@H]2O)[C@H](C)C1 ZINC000414141873 241085016 /nfs/dbraw/zinc/08/50/16/241085016.db2.gz HVFPBYABALEHNV-KLHDSHLOSA-N 2 0 284.444 1.626 10 0 CDAERP CCC[NH+]1CCC(C(=O)N2CC[C@H]([NH3+])C[C@H]2C)CC1 ZINC000236768024 367269637 /nfs/dbraw/zinc/26/96/37/367269637.db2.gz JVNJGTBHAGYTMB-OCCSQVGLSA-N 2 0 267.417 1.447 10 0 CDAERP C[C@H]1CC[C@@H](NC(=O)NCCCC[N@H+](C)C2CC2)C[NH2+]1 ZINC000627057871 367313558 /nfs/dbraw/zinc/31/35/58/367313558.db2.gz MINUMDDPBOKZEF-QWHCGFSZSA-N 2 0 282.432 1.301 10 0 CDAERP C[C@@H]1[N@H+](Cc2ccccc2)CC[C@@]12C[NH+]=C(N)N2C ZINC000307283094 367418159 /nfs/dbraw/zinc/41/81/59/367418159.db2.gz JGEOAIBJMWHFOQ-SWLSCSKDSA-N 2 0 258.369 1.280 10 0 CDAERP C[C@@H](NC(=O)NCC1([NH+](C)C)CCCCCC1)[C@H](C)[NH3+] ZINC000416853644 242187904 /nfs/dbraw/zinc/18/79/04/242187904.db2.gz VJWQEMKUYCROLK-QWHCGFSZSA-N 2 0 284.448 1.676 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC000627164471 367597039 /nfs/dbraw/zinc/59/70/39/367597039.db2.gz NUSOCEIDKSBHQZ-ZOBORPQBSA-N 2 0 282.432 1.251 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000417001729 242258525 /nfs/dbraw/zinc/25/85/25/242258525.db2.gz FHKPAITYSPXFHQ-OLZOCXBDSA-N 2 0 270.421 1.016 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000417004069 242262047 /nfs/dbraw/zinc/26/20/47/242262047.db2.gz HQCFBLZCGYEGLU-YNEHKIRRSA-N 2 0 270.421 1.014 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000417178536 242346855 /nfs/dbraw/zinc/34/68/55/242346855.db2.gz DVUPSDPLXHDVBH-KCQAQPDRSA-N 2 0 292.427 1.194 10 0 CDAERP Cn1c2ccc(CNC[C@@H]3CCC[NH2+]3)cc2sc1=O ZINC000414852874 367653890 /nfs/dbraw/zinc/65/38/90/367653890.db2.gz WQXVCORWLOXTFS-NSHDSACASA-N 2 0 277.393 1.442 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)C[NH2+]1 ZINC000627199853 367688986 /nfs/dbraw/zinc/68/89/86/367688986.db2.gz DZWRHVPRRPZSCJ-ILXRZTDVSA-N 2 0 296.459 1.643 10 0 CDAERP CC(C)[NH+](CCNC(=O)C1=CC[C@H]([NH3+])C1)C(C)C ZINC000638047350 367778068 /nfs/dbraw/zinc/77/80/68/367778068.db2.gz FFQOHRSOBGFJNY-ZDUSSCGKSA-N 2 0 253.390 1.269 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)CCC1C[NH2+]C1)c1cccs1 ZINC000638050452 367796032 /nfs/dbraw/zinc/79/60/32/367796032.db2.gz XNRRRPCEEOYTRV-LBPRGKRZSA-N 2 0 281.425 1.467 10 0 CDAERP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](O)CC1(O)CCC1)C2 ZINC000528520549 367876368 /nfs/dbraw/zinc/87/63/68/367876368.db2.gz XYLTWJLHZCHGLB-CABCVRRESA-N 2 0 282.428 1.070 10 0 CDAERP C[C@@H](CNC(=O)C1=CC[C@@H]([NH3+])C1)C[NH+]1CCCCC1 ZINC000638077683 368105661 /nfs/dbraw/zinc/10/56/61/368105661.db2.gz VKNNYDZDIORFJR-GXTWGEPZSA-N 2 0 265.401 1.272 10 0 CDAERP CN(C(=O)N[C@@H]1CCCC[C@H]1C[NH3+])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418403022 243033993 /nfs/dbraw/zinc/03/39/93/243033993.db2.gz HWSHXHICFMRYJX-DFKRWLTFSA-N 2 0 294.443 1.428 10 0 CDAERP CCC([NH3+])(CC)CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000418441994 243083034 /nfs/dbraw/zinc/08/30/34/243083034.db2.gz SGRLJEOYJXCNNY-OLZOCXBDSA-N 2 0 284.448 1.628 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000418457553 243102263 /nfs/dbraw/zinc/10/22/63/243102263.db2.gz HCZQOUHHEXQLKE-LNSITVRQSA-N 2 0 290.411 1.633 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000418464317 243110540 /nfs/dbraw/zinc/11/05/40/243110540.db2.gz POTOHRQUIIZJLG-LALPHHSUSA-N 2 0 290.411 1.646 10 0 CDAERP C[C@H](CC[NH3+])NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000418524831 243178880 /nfs/dbraw/zinc/17/88/80/243178880.db2.gz LSRANLBUDXDNNM-CYBMUJFWSA-N 2 0 282.432 1.241 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC[N@@H+]1C ZINC000418586851 243243312 /nfs/dbraw/zinc/24/33/12/243243312.db2.gz FZGDPYAOQPKKPE-SNPRPXQTSA-N 2 0 296.459 1.628 10 0 CDAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NC(C)(C)CCC[NH+](C)C ZINC000418568238 243221823 /nfs/dbraw/zinc/22/18/23/243221823.db2.gz HANBSHJNZJACOV-STQMWFEESA-N 2 0 284.448 1.404 10 0 CDAERP CCCC[N@H+](C)CC1CCN(C(=O)N[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000418706414 243359897 /nfs/dbraw/zinc/35/98/97/243359897.db2.gz SNHPPCZGERTELR-KBPBESRZSA-N 2 0 298.475 1.876 10 0 CDAERP CCCN(CCC[NH+](C)C)C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000418689229 243342417 /nfs/dbraw/zinc/34/24/17/243342417.db2.gz BWDQXLXLOHBVOP-VXGBXAGGSA-N 2 0 258.410 1.095 10 0 CDAERP CN(CCC(=O)NC[C@H]1CCC[N@@H+]1C)c1cc[nH+]cc1 ZINC000540928337 368573297 /nfs/dbraw/zinc/57/32/97/368573297.db2.gz VYEIJKZUQXHDAN-CQSZACIVSA-N 2 0 276.384 1.118 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)c2ccccc2CC[NH3+])C1 ZINC000070552110 368745678 /nfs/dbraw/zinc/74/56/78/368745678.db2.gz JPRUYCWJAFSFSW-CYBMUJFWSA-N 2 0 275.396 1.259 10 0 CDAERP COCCN1CCC[C@H]1C[NH2+][C@H](C)C(C)(C)OC ZINC000340228920 368830397 /nfs/dbraw/zinc/83/03/97/368830397.db2.gz QROSEKXSKCIMSR-OLZOCXBDSA-N 2 0 258.406 1.500 10 0 CDAERP COc1c[nH+]ccc1N1CC[NH+](C[C@H](C)OC)CC1 ZINC000361520245 368869147 /nfs/dbraw/zinc/86/91/47/368869147.db2.gz SNSGQICJPDBIMK-LBPRGKRZSA-N 2 0 265.357 1.247 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N(C)CCC[NH+](C)C ZINC000543669457 368945010 /nfs/dbraw/zinc/94/50/10/368945010.db2.gz SRLXDQPMTFKFSP-OCCSQVGLSA-N 2 0 282.432 1.062 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@](C)(O)C1CC1 ZINC000544191727 369021074 /nfs/dbraw/zinc/02/10/74/369021074.db2.gz RDDNDEAFVUQTJN-INIZCTEOSA-N 2 0 286.379 1.826 10 0 CDAERP CC[C@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CCN1CC(F)F ZINC000420369677 244158601 /nfs/dbraw/zinc/15/86/01/244158601.db2.gz XZQVIKNLJZRZGV-OLZOCXBDSA-N 2 0 275.387 1.647 10 0 CDAERP CCCCNC(=O)CC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420390960 244191769 /nfs/dbraw/zinc/19/17/69/244191769.db2.gz ICDUNDVCVVLYFA-HUUCEWRRSA-N 2 0 281.444 1.757 10 0 CDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638300515 369284177 /nfs/dbraw/zinc/28/41/77/369284177.db2.gz GUQGSGKRXUPHOD-CZUORRHYSA-N 2 0 287.407 1.671 10 0 CDAERP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000545894792 369273621 /nfs/dbraw/zinc/27/36/21/369273621.db2.gz VYHPHYWZLCOHCP-GFCCVEGCSA-N 2 0 282.350 1.962 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170829726 369499374 /nfs/dbraw/zinc/49/93/74/369499374.db2.gz OMLZQBGWBVGKSJ-UONOGXRCSA-N 2 0 282.432 1.206 10 0 CDAERP CC[N@@H+]1CC[C@H](C[NH2+]C2CCN(C(=O)N(C)C)CC2)C1 ZINC000135121233 369637667 /nfs/dbraw/zinc/63/76/67/369637667.db2.gz AXUZQHAOOFNPPL-CYBMUJFWSA-N 2 0 282.432 1.064 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000248023321 370101893 /nfs/dbraw/zinc/10/18/93/370101893.db2.gz OCZKHEPZUPOHHS-KKUMJFAQSA-N 2 0 281.444 1.613 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000249364141 370142365 /nfs/dbraw/zinc/14/23/65/370142365.db2.gz OCXUBJWHJUPFOM-IAGOWNOFSA-N 2 0 295.471 1.657 10 0 CDAERP CC[NH2+]CCC[NH2+][C@@H](C)Cc1ccn(C(C)C)n1 ZINC000564822964 370267377 /nfs/dbraw/zinc/26/73/77/370267377.db2.gz XXAHNXAVPYLUSA-ZDUSSCGKSA-N 2 0 252.406 1.984 10 0 CDAERP C[NH2+]C[C@@H]1CCCN(C(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000418285057 370482957 /nfs/dbraw/zinc/48/29/57/370482957.db2.gz NZZZVYDUMJLZJY-AWEZNQCLSA-N 2 0 296.459 1.679 10 0 CDAERP CC(=O)Nc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000414933941 370561054 /nfs/dbraw/zinc/56/10/54/370561054.db2.gz AARSAZHUYWHXJN-IAQYHMDHSA-N 2 0 261.369 1.733 10 0 CDAERP C[C@@H](NC[C@H](C)C[NH+]1CCCC1)c1c[nH+]ccc1N ZINC000422724884 245180835 /nfs/dbraw/zinc/18/08/35/245180835.db2.gz WXEQICVUZAWXCG-QWHCGFSZSA-N 2 0 262.401 1.877 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CCCN(c2ccccc2)C1=O ZINC000422743892 245205791 /nfs/dbraw/zinc/20/57/91/245205791.db2.gz SBWXUBXYOFTFPF-GZBFAFLISA-N 2 0 275.396 1.897 10 0 CDAERP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)C1CC1 ZINC000340493536 371133883 /nfs/dbraw/zinc/13/38/83/371133883.db2.gz VHEJBSGZESNXRV-APIJFGDWSA-N 2 0 252.402 1.874 10 0 CDAERP C[C@@H]([NH2+]CCc1ccc2ccccc2n1)C1C[NH2+]C1 ZINC000422785443 245253413 /nfs/dbraw/zinc/25/34/13/245253413.db2.gz REXDCQHPPPTMOI-GFCCVEGCSA-N 2 0 255.365 1.975 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000422808153 245282325 /nfs/dbraw/zinc/28/23/25/245282325.db2.gz AMDPZIQTMHPZEQ-OAHLLOKOSA-N 2 0 288.395 1.716 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422854086 245336653 /nfs/dbraw/zinc/33/66/53/245336653.db2.gz CNPQDCBCFNMBQN-LTIDMASMSA-N 2 0 295.471 1.608 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC000569256702 371249865 /nfs/dbraw/zinc/24/98/65/371249865.db2.gz LXNJFRPUBUNWJT-AWEZNQCLSA-N 2 0 281.444 1.661 10 0 CDAERP COc1nccnc1CN1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000295599088 371363498 /nfs/dbraw/zinc/36/34/98/371363498.db2.gz CRXNATHNBPFFPN-GXTWGEPZSA-N 2 0 276.384 1.401 10 0 CDAERP C[NH+]1CCC(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000377672674 371636392 /nfs/dbraw/zinc/63/63/92/371636392.db2.gz LOTJVHZCAKLOPE-HNNXBMFYSA-N 2 0 285.407 1.409 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCC[NH+](C2CC2)CC1 ZINC000171076553 372166388 /nfs/dbraw/zinc/16/63/88/372166388.db2.gz KTRUKWPXEVHRBU-CQSZACIVSA-N 2 0 296.459 1.596 10 0 CDAERP C[C@@H]([NH3+])c1ccc(C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1 ZINC000582487118 372325504 /nfs/dbraw/zinc/32/55/04/372325504.db2.gz ZLHYUOCOTXVLDT-XHBSWPGZSA-N 2 0 275.396 1.763 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@H](CC[NH3+])C(F)F ZINC000578357147 372421342 /nfs/dbraw/zinc/42/13/42/372421342.db2.gz XYTVHYNGKCFBOX-GHMZBOCLSA-N 2 0 277.359 1.350 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)NCc1ccc(C[NH3+])cc1 ZINC000580715481 372669505 /nfs/dbraw/zinc/66/95/05/372669505.db2.gz FVBBDXDBHMCLGV-CQSZACIVSA-N 2 0 275.396 1.540 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N(C)C[C@@H]1CCC[NH+]1CC ZINC000177488211 372869285 /nfs/dbraw/zinc/86/92/85/372869285.db2.gz GDELPSIVARYXNR-GJZGRUSLSA-N 2 0 298.475 1.842 10 0 CDAERP C[C@H]1C[C@]2(C[NH+]=C(N)N2C)C[N@@H+]1Cc1ccccc1 ZINC000307603370 373057332 /nfs/dbraw/zinc/05/73/32/373057332.db2.gz ZRIKOOVKWPKNND-WFASDCNBSA-N 2 0 258.369 1.280 10 0 CDAERP CC[N@H+](CC(=O)N(C)[C@@H]1CC[NH+](CC)C[C@H]1C)C1CC1 ZINC000349356452 284380521 /nfs/dbraw/zinc/38/05/21/284380521.db2.gz DZRGTJALUSIVQD-UKRRQHHQSA-N 2 0 281.444 1.659 10 0 CDAERP CC[N@H+](CC(=O)N(C)[C@@H]1CC[NH+](CC)C[C@@H]1C)C1CC1 ZINC000349356450 284380283 /nfs/dbraw/zinc/38/02/83/284380283.db2.gz DZRGTJALUSIVQD-DZGCQCFKSA-N 2 0 281.444 1.659 10 0 CDAERP C[C@H](CC(=O)N[C@@H]1CCC[N@H+](C)C1)C1CC[NH2+]CC1 ZINC000645685226 373236354 /nfs/dbraw/zinc/23/63/54/373236354.db2.gz WGIVFNGWRVGTMO-TZMCWYRMSA-N 2 0 267.417 1.223 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N2CCC[N@H+](C)CC2)CC1 ZINC000341218793 373421516 /nfs/dbraw/zinc/42/15/16/373421516.db2.gz YJYGDAYBHGDCQY-UHFFFAOYSA-N 2 0 296.459 1.456 10 0 CDAERP CCC1([NH+](C)C)CCN(C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000640016090 373992997 /nfs/dbraw/zinc/99/29/97/373992997.db2.gz SUKWLKWCVIAQRN-OAHLLOKOSA-N 2 0 283.460 1.248 10 0 CDAERP O=C1NCCCC[C@@H]1[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000120208028 374587924 /nfs/dbraw/zinc/58/79/24/374587924.db2.gz OTRKIOLPNJQBMX-HNNXBMFYSA-N 2 0 279.428 1.463 10 0 CDAERP CC(C)n1ncnc1C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000631067723 374919616 /nfs/dbraw/zinc/91/96/16/374919616.db2.gz GCQWGVZQEQPTPY-CQSZACIVSA-N 2 0 295.431 1.186 10 0 CDAERP CC[C@H](C(=O)N[C@@H](CC(C)C)C[NH+](C)C)[NH+](C)C ZINC000126568677 375009645 /nfs/dbraw/zinc/00/96/45/375009645.db2.gz DQCVHEHAKQMIPY-QWHCGFSZSA-N 2 0 257.422 1.419 10 0 CDAERP COC[C@H](O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000127564651 375067727 /nfs/dbraw/zinc/06/77/27/375067727.db2.gz HSAYLFJCFXHSAX-DOTOQJQBSA-N 2 0 298.471 1.970 10 0 CDAERP CCn1ccnc1C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000385328428 541992453 /nfs/dbraw/zinc/99/24/53/541992453.db2.gz JYZAGHOERZSRNB-LBPRGKRZSA-N 2 0 250.390 1.723 10 0 CDAERP CCCC[NH+]1CCC(NCc2nccn2C)CC1 ZINC000051923345 375589411 /nfs/dbraw/zinc/58/94/11/375589411.db2.gz YBUKIEZHLCVALA-UHFFFAOYSA-N 2 0 250.390 1.774 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC(C[NH3+])CC1 ZINC000417011157 375716028 /nfs/dbraw/zinc/71/60/28/375716028.db2.gz RGPRMLSNYSOGFI-GFCCVEGCSA-N 2 0 270.421 1.097 10 0 CDAERP O=C1CCCN1CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000193721336 375895883 /nfs/dbraw/zinc/89/58/83/375895883.db2.gz KLGDHPOOOCPBRX-UHFFFAOYSA-N 2 0 279.428 1.417 10 0 CDAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C[NH+](CC)CC ZINC000245423041 376031921 /nfs/dbraw/zinc/03/19/21/376031921.db2.gz JETXKESSOJMZSW-KGLIPLIRSA-N 2 0 267.417 1.413 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000246278243 376599307 /nfs/dbraw/zinc/59/93/07/376599307.db2.gz JTNMYVDNPHLPLS-ZIAGYGMSSA-N 2 0 298.475 1.746 10 0 CDAERP c1nc2n(n1)[C@@H](C[NH+]1CCC([C@H]3CC[NH2+]C3)CC1)CC2 ZINC000631826232 376656908 /nfs/dbraw/zinc/65/69/08/376656908.db2.gz IILLTDQPGWLGCW-UONOGXRCSA-N 2 0 275.400 1.087 10 0 CDAERP CC(C)C[C@H]([NH2+]C1CC(C)(C)C1)C(=O)NCC[NH+](C)C ZINC000433226616 248013953 /nfs/dbraw/zinc/01/39/53/248013953.db2.gz HFOIOZMXKPBTRR-AWEZNQCLSA-N 2 0 283.460 1.857 10 0 CDAERP CC[NH+](CC)CCCN1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631891153 376787450 /nfs/dbraw/zinc/78/74/50/376787450.db2.gz WJDCXNQWNBRYFQ-HUUCEWRRSA-N 2 0 253.434 1.792 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC1CCC([NH+](C)C)CC1 ZINC000335003708 377755354 /nfs/dbraw/zinc/75/53/54/377755354.db2.gz DADCYOWUQSSZMZ-RYSNWHEDSA-N 2 0 282.432 1.156 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)CC[NH2+]1 ZINC000417532736 377865701 /nfs/dbraw/zinc/86/57/01/377865701.db2.gz LQGKJOSEDRURKZ-KBXIAJHMSA-N 2 0 296.459 1.689 10 0 CDAERP C[NH2+][C@H]1CCCN(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000417534314 377875393 /nfs/dbraw/zinc/87/53/93/377875393.db2.gz OAKLQXZMGVPOQI-ZNMIVQPWSA-N 2 0 296.459 1.643 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000417531449 377887420 /nfs/dbraw/zinc/88/74/20/377887420.db2.gz JOOGDSMXLIAVKD-IJEWVQPXSA-N 2 0 296.459 1.630 10 0 CDAERP C[C@H](O)C[NH+]1CCC(C[NH2+]Cc2ccco2)CC1 ZINC000069347506 378012174 /nfs/dbraw/zinc/01/21/74/378012174.db2.gz FUMVGVSHCOGOPM-LBPRGKRZSA-N 2 0 252.358 1.462 10 0 CDAERP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CC1(CF)CCOCC1 ZINC000423146894 295267211 /nfs/dbraw/zinc/26/72/11/295267211.db2.gz BOYRIIYPBHISMA-OLZOCXBDSA-N 2 0 258.381 1.860 10 0 CDAERP Cc1nccn1CCC[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425553044 378484572 /nfs/dbraw/zinc/48/45/72/378484572.db2.gz SQTMIRGJHLARMC-LBPRGKRZSA-N 2 0 260.345 1.189 10 0 CDAERP [NH3+][C@H]1CCC[C@@H]1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000085374021 295336590 /nfs/dbraw/zinc/33/65/90/295336590.db2.gz XGHPMGOOBFEBNQ-KBPBESRZSA-N 2 0 265.401 1.201 10 0 CDAERP C[NH+](C)Cc1ccccc1CNC(=O)C1CCC([NH3+])CC1 ZINC000040855337 378856665 /nfs/dbraw/zinc/85/66/65/378856665.db2.gz WLYQVETWRYHTFF-UHFFFAOYSA-N 2 0 289.423 1.882 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)[C@H]1C[C@H]1C ZINC000657574048 412906670 /nfs/dbraw/zinc/90/66/70/412906670.db2.gz XGQVVIMMJUGAKQ-QPSCCSFWSA-N 2 0 255.450 1.893 10 0 CDAERP COC[C@@H]([NH2+]CCCC[NH+](C)C)C1CCOCC1 ZINC000446841345 250319016 /nfs/dbraw/zinc/31/90/16/250319016.db2.gz ORLDOMQRIZZEBW-CQSZACIVSA-N 2 0 258.406 1.359 10 0 CDAERP COC[C@H](C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)OC ZINC000660116463 412932186 /nfs/dbraw/zinc/93/21/86/412932186.db2.gz ZXSVMNMRTYQTLN-KBMXLJTQSA-N 2 0 282.428 1.597 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N(C)CC2C[NH+](C)C2)CC1 ZINC000663892671 412941149 /nfs/dbraw/zinc/94/11/49/412941149.db2.gz IFSVPUAGNCDGHI-UHFFFAOYSA-N 2 0 296.459 1.311 10 0 CDAERP COC(=O)C1(C[N@H+](C)C2CC[NH+](C(C)C)CC2)CC1 ZINC000450339276 251231306 /nfs/dbraw/zinc/23/13/06/251231306.db2.gz PSIJKGFAOUEOLJ-UHFFFAOYSA-N 2 0 268.401 1.744 10 0 CDAERP C[NH2+]C[C@@H]1CCCN(C(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662392315 412951600 /nfs/dbraw/zinc/95/16/00/412951600.db2.gz RHDFQGUXTGRNTA-LBPRGKRZSA-N 2 0 265.401 1.119 10 0 CDAERP COCCN1CCC[C@H]1C[NH2+][C@H](C)Cc1cnccn1 ZINC000453085233 252267603 /nfs/dbraw/zinc/26/76/03/252267603.db2.gz FXBBKDVBRCYWPW-HIFRSBDPSA-N 2 0 278.400 1.108 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCC2(CO)CC2)[C@H]2CCC[C@H]21 ZINC000453340402 252301867 /nfs/dbraw/zinc/30/18/67/252301867.db2.gz KZMOIAXPGYVYEE-HZSPNIEDSA-N 2 0 252.402 1.611 10 0 CDAERP Cc1cc(C)n(CCC[NH2+][C@H](C)[C@H]2CC[NH2+]C2)n1 ZINC000400413114 291860298 /nfs/dbraw/zinc/86/02/98/291860298.db2.gz UNJZBCUSCQKQKY-KGLIPLIRSA-N 2 0 250.390 1.478 10 0 CDAERP C[C@H](C[NH2+][C@@H]1C[C@H](C)[C@@H]1C)CN1CC[NH+](C)CC1 ZINC000495077641 253683472 /nfs/dbraw/zinc/68/34/72/253683472.db2.gz GAPCYBKFMMGQBD-CBBWQLFWSA-N 2 0 253.434 1.504 10 0 CDAERP CCS(=O)(=O)C1(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000657758338 413013984 /nfs/dbraw/zinc/01/39/84/413013984.db2.gz HFBIDACRJDVCJB-OLZOCXBDSA-N 2 0 286.441 1.170 10 0 CDAERP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCC1(C[NH3+])CC1 ZINC000653349459 413023651 /nfs/dbraw/zinc/02/36/51/413023651.db2.gz PZRAIHVCSXPZIF-AWEZNQCLSA-N 2 0 297.443 1.025 10 0 CDAERP CC[C@@H]([NH2+]CCN1CCC[NH2+]CC1)c1nccs1 ZINC000080309413 177638410 /nfs/dbraw/zinc/63/84/10/177638410.db2.gz OJXXXHJSKKNQSW-GFCCVEGCSA-N 2 0 268.430 1.479 10 0 CDAERP C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC000646943147 390303935 /nfs/dbraw/zinc/30/39/35/390303935.db2.gz BLCAOPBKBDRIGA-CWRNSKLLSA-N 2 0 291.439 1.556 10 0 CDAERP [NH3+]C[C@@H](C(=O)N[C@H]1CCC[NH2+]CC1)c1ccc(F)cc1 ZINC000646988298 390339196 /nfs/dbraw/zinc/33/91/96/390339196.db2.gz LVXHDSWBPNJRIP-UONOGXRCSA-N 2 0 279.359 1.126 10 0 CDAERP c1cc(C[C@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)ccn1 ZINC000647538017 390686648 /nfs/dbraw/zinc/68/66/48/390686648.db2.gz CDKZQNHVVCYIHH-MRXNPFEDSA-N 2 0 259.397 1.946 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1)Cn1ccnc1 ZINC000237464999 390837789 /nfs/dbraw/zinc/83/77/89/390837789.db2.gz PXDRKOWTDWBWAV-FRRDWIJNSA-N 2 0 264.373 1.153 10 0 CDAERP [NH3+]C[C@@H]1C[N@H+](CCCCOc2ccccc2)CCCO1 ZINC000415107164 391023980 /nfs/dbraw/zinc/02/39/80/391023980.db2.gz KOFUXWJVJYVACB-MRXNPFEDSA-N 2 0 278.396 1.895 10 0 CDAERP C[NH2+][C@@H]1CCCN(C(=O)NCc2nccn2CC(C)C)C1 ZINC000417729402 390989754 /nfs/dbraw/zinc/98/97/54/390989754.db2.gz CFMHCUJKNDWIJH-CYBMUJFWSA-N 2 0 293.415 1.433 10 0 CDAERP CC(C)Cn1ccnc1CN[C@H]1C[NH2+]C[C@@H](C)C1 ZINC000647551483 390996523 /nfs/dbraw/zinc/99/65/23/390996523.db2.gz PRXHMUVCTYCFTD-QWHCGFSZSA-N 2 0 250.390 1.627 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000417745134 391011225 /nfs/dbraw/zinc/01/12/25/391011225.db2.gz FIPFSMXWQVMJCK-CABCVRRESA-N 2 0 296.459 1.535 10 0 CDAERP CC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C)[NH+](C)C ZINC000413509977 391076300 /nfs/dbraw/zinc/07/63/00/391076300.db2.gz VXAFHQNDMYPPID-BFHYXJOUSA-N 2 0 269.433 1.515 10 0 CDAERP C=Cn1cc(CN2CCOC3(CC[NH+](C)CC3)C2)cn1 ZINC000648072270 391092799 /nfs/dbraw/zinc/09/27/99/391092799.db2.gz USRYQGCWYXUDCR-UHFFFAOYSA-N 2 0 276.384 1.280 10 0 CDAERP [NH3+][C@@H]1CCC[C@H](NC(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000418287544 391114524 /nfs/dbraw/zinc/11/45/24/391114524.db2.gz UEKDIGCIUZZMMP-OLZOCXBDSA-N 2 0 282.432 1.607 10 0 CDAERP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccc(C[NH3+])cc1 ZINC000094446695 391119905 /nfs/dbraw/zinc/11/99/05/391119905.db2.gz WHTIMIKGGYZZSL-XJKSGUPXSA-N 2 0 287.407 1.844 10 0 CDAERP CC[C@H]1CCCCN1C(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000336542756 391169475 /nfs/dbraw/zinc/16/94/75/391169475.db2.gz ORLUTYGEJKVVEE-HNNXBMFYSA-N 2 0 293.455 1.853 10 0 CDAERP C[N@@H+]1CCC[C@H](CCNC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)C1 ZINC000418300306 391289426 /nfs/dbraw/zinc/28/94/26/391289426.db2.gz XOVBEUFMULUPES-UKRRQHHQSA-N 2 0 294.443 1.254 10 0 CDAERP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000417253694 391346960 /nfs/dbraw/zinc/34/69/60/391346960.db2.gz LVJLTQHBYXCKGV-AICCOOGYSA-N 2 0 296.459 1.484 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCO)[C@@H](C)C1 ZINC000450777080 391396289 /nfs/dbraw/zinc/39/62/89/391396289.db2.gz IPKGGVHNMXHDMR-JKSUJKDBSA-N 2 0 283.460 1.248 10 0 CDAERP C[C@H](Nc1cnn(-c2cc[nH+]cc2)c1)[C@H]1CCC[NH2+]1 ZINC000643469464 391479795 /nfs/dbraw/zinc/47/97/95/391479795.db2.gz XIRDHHBKWHURKK-SMDDNHRTSA-N 2 0 257.341 1.820 10 0 CDAERP O=C(NCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000647789772 391537974 /nfs/dbraw/zinc/53/79/74/391537974.db2.gz LFUDSOPSLDSGPL-OWCLPIDISA-N 2 0 287.407 1.394 10 0 CDAERP C[C@@H](C(=O)N1CC[C@H]([NH3+])[C@@H]1C)[C@@H]([NH3+])c1ccccc1 ZINC000417829869 391498753 /nfs/dbraw/zinc/49/87/53/391498753.db2.gz GPXTTYBBHBDMNI-UVLXDEKHSA-N 2 0 261.369 1.271 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C(=O)N2CCCC2)CC[N@@H+]1C ZINC000528015375 391578669 /nfs/dbraw/zinc/57/86/69/391578669.db2.gz KXIQDKJISNWGQY-ZIAGYGMSSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CC[NH2+]C[C@H]2C)C1 ZINC000417554317 391654260 /nfs/dbraw/zinc/65/42/60/391654260.db2.gz WDPQPORIVIPANE-KFWWJZLASA-N 2 0 296.459 1.404 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000335396857 391704418 /nfs/dbraw/zinc/70/44/18/391704418.db2.gz VBQRVFZVASDHGT-GOEBONIOSA-N 2 0 279.428 1.461 10 0 CDAERP COC(=O)c1ccc(Cl)c(CN[C@@H](C)[C@H](C)[NH3+])c1 ZINC000415018272 391725102 /nfs/dbraw/zinc/72/51/02/391725102.db2.gz QMFXASUHZMJKHM-IUCAKERBSA-N 2 0 270.760 1.952 10 0 CDAERP CC[NH+]1CCN([C@@H](C)C[NH2+]C2CC(CF)(CF)C2)CC1 ZINC000657836770 413050548 /nfs/dbraw/zinc/05/05/48/413050548.db2.gz OQKGCRACISHTFM-ZDUSSCGKSA-N 2 0 289.414 1.690 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2CCO)[C@H]2CCC[C@H]21 ZINC000353675639 130246942 /nfs/dbraw/zinc/24/69/42/130246942.db2.gz VUENAQFIPXTQOU-DGXTUMSLSA-N 2 0 266.429 2.000 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000649298927 391934529 /nfs/dbraw/zinc/93/45/29/391934529.db2.gz LWGITJDNNJMTKD-RYUDHWBXSA-N 2 0 291.386 1.324 10 0 CDAERP C[C@H]1[C@@H](NC2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000261543132 391943849 /nfs/dbraw/zinc/94/38/49/391943849.db2.gz HMTOXWPCESLGBE-YOEHRIQHSA-N 2 0 273.424 1.991 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2=CCOCC2)[C@H]2CCC[C@@H]21 ZINC000453297722 392029677 /nfs/dbraw/zinc/02/96/77/392029677.db2.gz TXWPLRRDJIMLTD-ILXRZTDVSA-N 2 0 250.386 1.796 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)[C@@H]2[NH2+]CC2(C)C)CC1 ZINC000645821958 392107790 /nfs/dbraw/zinc/10/77/90/392107790.db2.gz PTFRYZCYYFEWEC-ZDUSSCGKSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000649373015 392125039 /nfs/dbraw/zinc/12/50/39/392125039.db2.gz NDTYJOYAYYCDRR-GFCCVEGCSA-N 2 0 253.390 1.118 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CC[NH+](C)C)OCC ZINC000440632880 392220410 /nfs/dbraw/zinc/22/04/10/392220410.db2.gz CJNZXRKGSANOEO-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCCNc1ccccc1F ZINC000423029903 392284894 /nfs/dbraw/zinc/28/48/94/392284894.db2.gz IXWXNEQJVMJNDZ-YDHLFZDLSA-N 2 0 295.402 1.970 10 0 CDAERP O[C@@H](C[NH2+]C[C@@H]1CCC2(CCCC2)O1)C[NH+]1CCCC1 ZINC000656155281 413053265 /nfs/dbraw/zinc/05/32/65/413053265.db2.gz PEQNJZQKZAWULH-GJZGRUSLSA-N 2 0 282.428 1.525 10 0 CDAERP C[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@@H]1CCC[NH2+]C1 ZINC000516759642 392777777 /nfs/dbraw/zinc/77/77/77/392777777.db2.gz SLAMHUADGVPYTL-YJNKXOJESA-N 2 0 251.418 1.591 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2COC3(CCC3)C2)CC1 ZINC000657837500 413054473 /nfs/dbraw/zinc/05/44/73/413054473.db2.gz SSNHIOGXEYPTCA-CABCVRRESA-N 2 0 281.444 1.314 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)CN1CC(C)(C)C1 ZINC000517390088 392883392 /nfs/dbraw/zinc/88/33/92/392883392.db2.gz AKGQKBVTCXJCEW-UHFFFAOYSA-N 2 0 255.406 1.176 10 0 CDAERP CCC[C@@H](C)[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000187682440 392999959 /nfs/dbraw/zinc/99/99/59/392999959.db2.gz BKKWNJWPYMYJOT-IAGOWNOFSA-N 2 0 297.487 1.902 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCC(=O)NC2(C)C)C1 ZINC000495064412 393169353 /nfs/dbraw/zinc/16/93/53/393169353.db2.gz CQNDAWKYAFODNU-KGLIPLIRSA-N 2 0 281.444 1.754 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC(=O)NC2(C)C)C1 ZINC000495064414 393169632 /nfs/dbraw/zinc/16/96/32/393169632.db2.gz CQNDAWKYAFODNU-ZIAGYGMSSA-N 2 0 281.444 1.754 10 0 CDAERP CCN(C(=O)NC[C@H]1CCCC[NH+]1CC)[C@H]1CC[N@H+](C)C1 ZINC000664074749 413063383 /nfs/dbraw/zinc/06/33/83/413063383.db2.gz XFVCUDOQNHVKPS-CABCVRRESA-N 2 0 296.459 1.596 10 0 CDAERP COC[C@@H](CC1CCOCC1)[NH2+][C@H](C)CC[NH+](C)C ZINC000657859193 413062430 /nfs/dbraw/zinc/06/24/30/413062430.db2.gz QPJLJUBJOIBVSS-UKRRQHHQSA-N 2 0 272.433 1.748 10 0 CDAERP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]C1CC(CF)(CF)C1 ZINC000657880100 413067211 /nfs/dbraw/zinc/06/72/11/413067211.db2.gz OMBTUTULPJNFFM-AWEZNQCLSA-N 2 0 290.398 1.901 10 0 CDAERP CCCNC(=O)C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516122 140158705 /nfs/dbraw/zinc/15/87/05/140158705.db2.gz RFOOMFIKLSZPRP-AWEZNQCLSA-N 2 0 290.411 1.650 10 0 CDAERP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@H]12 ZINC000248621315 140293050 /nfs/dbraw/zinc/29/30/50/140293050.db2.gz MZLJEZNFNCKBAV-FKENJMTJSA-N 2 0 277.412 1.103 10 0 CDAERP [NH3+]CCN(CCc1ccccc1)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000261830572 140395251 /nfs/dbraw/zinc/39/52/51/140395251.db2.gz YZTBJQBFCNURSD-JKSUJKDBSA-N 2 0 289.423 1.534 10 0 CDAERP C[C@]1(C[N@@H+]2CCC[C@]3(CCCOC3)C2)CC[NH2+]C1 ZINC000261879611 140402663 /nfs/dbraw/zinc/40/26/63/140402663.db2.gz QQWJLVSVZZVIPP-GJZGRUSLSA-N 2 0 252.402 1.879 10 0 CDAERP CO[C@H](CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)C(F)(F)F ZINC000656198829 413094112 /nfs/dbraw/zinc/09/41/12/413094112.db2.gz ZOFWBHVRIDNMCY-OPRDCNLKSA-N 2 0 254.296 1.813 10 0 CDAERP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000387567502 397716602 /nfs/dbraw/zinc/71/66/02/397716602.db2.gz LWQLZIYIRDSAGB-VXGBXAGGSA-N 2 0 255.406 1.221 10 0 CDAERP Cc1cc(C)n(CC[N@@H+](C)[C@@H]2CCC[NH2+]CC2)n1 ZINC000395310497 397862991 /nfs/dbraw/zinc/86/29/91/397862991.db2.gz GTQPXAYRAMKJEZ-CQSZACIVSA-N 2 0 250.390 1.574 10 0 CDAERP CN1CCC[C@H]1C[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000181579872 397938087 /nfs/dbraw/zinc/93/80/87/397938087.db2.gz BFFLZQMSFKKCEE-DGAVXFQQSA-N 2 0 252.402 1.874 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCCNC(=O)C1CCC([NH3+])CC1 ZINC000037622995 398096249 /nfs/dbraw/zinc/09/62/49/398096249.db2.gz LNULEEWGUMSCJA-NFOMZHRRSA-N 2 0 281.444 1.885 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000300409258 398095144 /nfs/dbraw/zinc/09/51/44/398095144.db2.gz RYFXBZHONLCNFF-STQMWFEESA-N 2 0 255.406 1.210 10 0 CDAERP [NH3+]C1CCC(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC000037812773 398111204 /nfs/dbraw/zinc/11/12/04/398111204.db2.gz RILZOJUKOTYMHX-RUXDESIVSA-N 2 0 265.401 1.201 10 0 CDAERP CC[NH+](CC)C[C@H]1CC[N@H+](CC2(O)CCOCC2)C1 ZINC000154134812 289195198 /nfs/dbraw/zinc/19/51/98/289195198.db2.gz JLZDHPXFZCKZKI-CQSZACIVSA-N 2 0 270.417 1.192 10 0 CDAERP c1ccc2c(c1)OC[C@@H](C[NH2+][C@H]1CCC[NH2+]CC1)O2 ZINC000128902382 147608677 /nfs/dbraw/zinc/60/86/77/147608677.db2.gz IMRMRYFCGYEPQP-QWHCGFSZSA-N 2 0 262.353 1.558 10 0 CDAERP CO[C@H](C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)[C@H]1CCOC1 ZINC000660541972 413214374 /nfs/dbraw/zinc/21/43/74/413214374.db2.gz LLULZCCEPSVXPJ-SRXPKIRMSA-N 2 0 282.428 1.595 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N(C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000175776022 148008672 /nfs/dbraw/zinc/00/86/72/148008672.db2.gz ANHPYJDQZUHQEG-HUUCEWRRSA-N 2 0 298.475 1.842 10 0 CDAERP [NH3+]CCCCCCC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000185204681 148394558 /nfs/dbraw/zinc/39/45/58/148394558.db2.gz SKRQQSNMWGLYTL-YNEHKIRRSA-N 2 0 253.390 1.091 10 0 CDAERP [NH3+]CCCCCCC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000185204663 148394574 /nfs/dbraw/zinc/39/45/74/148394574.db2.gz SKRQQSNMWGLYTL-XQQFMLRXSA-N 2 0 253.390 1.091 10 0 CDAERP CCC(C)(C)[NH+]1CCN(C(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000654395425 413227070 /nfs/dbraw/zinc/22/70/70/413227070.db2.gz MOJNKHZLFRPPGI-CQSZACIVSA-N 2 0 296.459 1.596 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)CC[C@@H](C)[NH3+])[C@H](C)C1 ZINC000193316145 286060293 /nfs/dbraw/zinc/06/02/93/286060293.db2.gz HGXVKIVHETVUJU-KFWWJZLASA-N 2 0 299.459 1.367 10 0 CDAERP CC1(C)CN(C(=O)[C@H]([NH3+])Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000262073795 149009949 /nfs/dbraw/zinc/00/99/49/149009949.db2.gz SOTCHFFIMBRTSD-KGLIPLIRSA-N 2 0 275.396 1.142 10 0 CDAERP [NH3+]CCCN(Cc1ccccc1)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000262462695 149066656 /nfs/dbraw/zinc/06/66/56/149066656.db2.gz MYCZKZWDOHJRNF-HOTGVXAUSA-N 2 0 289.423 1.882 10 0 CDAERP C[C@@H]1CCC[N@H+](CCNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000262658159 149091669 /nfs/dbraw/zinc/09/16/69/149091669.db2.gz DSMKNNZTEJSGBP-WCVJEAGWSA-N 2 0 293.455 1.755 10 0 CDAERP Cc1cc(C)c(CNC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cn1 ZINC000334964576 150127458 /nfs/dbraw/zinc/12/74/58/150127458.db2.gz ODEVJQCGMMGZMF-BXUZGUMPSA-N 2 0 276.384 1.496 10 0 CDAERP CC1CC[NH+](CC(=O)N2CCC3(CC[NH2+]3)CC2)CC1 ZINC000335018438 150191874 /nfs/dbraw/zinc/19/18/74/150191874.db2.gz PCSBMTGZKCYGTO-UHFFFAOYSA-N 2 0 265.401 1.073 10 0 CDAERP [NH3+]C[C@@H](C(=O)N1CC[NH+]2CCC1CC2)c1ccc(F)cc1 ZINC000335037844 150214490 /nfs/dbraw/zinc/21/44/90/150214490.db2.gz NCZGXBAQQYARPN-OAHLLOKOSA-N 2 0 291.370 1.175 10 0 CDAERP C[NH+](C)Cc1ccccc1C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000335044237 150221978 /nfs/dbraw/zinc/22/19/78/150221978.db2.gz UXEOGEVPPUEGKP-GOEBONIOSA-N 2 0 287.407 1.572 10 0 CDAERP C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000343269292 152093706 /nfs/dbraw/zinc/09/37/06/152093706.db2.gz AXCSCOMQYDEWJN-YOEHRIQHSA-N 2 0 284.407 1.971 10 0 CDAERP Cc1c(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cnn1C ZINC000404426600 413282690 /nfs/dbraw/zinc/28/26/90/413282690.db2.gz LWMDTULPRYUHOI-FZMZJTMJSA-N 2 0 250.390 1.678 10 0 CDAERP C[NH+](C)C[C@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)c1ccccc1 ZINC000662668345 413282436 /nfs/dbraw/zinc/28/24/36/413282436.db2.gz DQWOPQFJCWXHHX-IHRRRGAJSA-N 2 0 261.369 1.143 10 0 CDAERP C[NH+](C)CCOCC[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC000349255613 154077019 /nfs/dbraw/zinc/07/70/19/154077019.db2.gz XJNWTFWMXDDZLI-UHFFFAOYSA-N 2 0 288.395 1.745 10 0 CDAERP CC[NH+](CC)CC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000662686327 413311037 /nfs/dbraw/zinc/31/10/37/413311037.db2.gz MCHSCTPKOYVXEK-HNNXBMFYSA-N 2 0 291.395 1.628 10 0 CDAERP O=C(C[C@H]1CCC[NH2+]1)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000662686728 413312052 /nfs/dbraw/zinc/31/20/52/413312052.db2.gz PIASDQMJWSZBHC-HUUCEWRRSA-N 2 0 289.379 1.428 10 0 CDAERP [NH3+][C@H](Cc1cn([C@@H]2CC[NH2+]C2)nn1)c1ccccc1 ZINC000656467588 413324121 /nfs/dbraw/zinc/32/41/21/413324121.db2.gz QBNPUOMCIXCAKA-ZIAGYGMSSA-N 2 0 257.341 1.055 10 0 CDAERP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C[C@H]1CC[NH2+]C1 ZINC000662693266 413327695 /nfs/dbraw/zinc/32/76/95/413327695.db2.gz IIRYXDKXSHLTMO-ZIAGYGMSSA-N 2 0 267.417 1.223 10 0 CDAERP CCC[N@H+](CC)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000355437759 157052903 /nfs/dbraw/zinc/05/29/03/157052903.db2.gz VSLSJIVHAMSQML-UHFFFAOYSA-N 2 0 267.417 1.461 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C[NH+](C)C ZINC000355730117 157205886 /nfs/dbraw/zinc/20/58/86/157205886.db2.gz HJKFHKFGAXOHTE-AGIUHOORSA-N 2 0 255.406 1.031 10 0 CDAERP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@H]2CCO[C@H](C)C2)CC1 ZINC000660697694 413381640 /nfs/dbraw/zinc/38/16/40/413381640.db2.gz ISEALSYPKVUHKG-CVEARBPZSA-N 2 0 298.471 1.874 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)C[NH2+]C1(C2CCC2)CCC1 ZINC000660778586 413466812 /nfs/dbraw/zinc/46/68/12/413466812.db2.gz KPTKMEOXGVSOSX-CQSZACIVSA-N 2 0 254.418 2.000 10 0 CDAERP COc1cccc(CC[NH3+])c1OCC[NH+]1CCCC1 ZINC000011892267 170454956 /nfs/dbraw/zinc/45/49/56/170454956.db2.gz BSGYJOHSNHNDJA-UHFFFAOYSA-N 2 0 264.369 1.671 10 0 CDAERP C[C@@H]([NH3+])c1c(F)cccc1N1CCC[N@H+](C)CC1 ZINC000020217776 171081047 /nfs/dbraw/zinc/08/10/47/171081047.db2.gz KQKKVZWPXLRTOO-LLVKDONJSA-N 2 0 251.349 1.987 10 0 CDAERP [NH3+]Cc1cccc(NC(=O)CCC[NH+]2CCCC2)c1 ZINC000022152039 171359216 /nfs/dbraw/zinc/35/92/16/171359216.db2.gz GALKTTYCZFSNQJ-UHFFFAOYSA-N 2 0 261.369 1.960 10 0 CDAERP CCC[NH+]1CCN([C@H](C[NH3+])c2ccc(C)o2)CC1 ZINC000022177936 171371593 /nfs/dbraw/zinc/37/15/93/171371593.db2.gz UGICBYLIOUARQV-CYBMUJFWSA-N 2 0 251.374 1.615 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)CCC(C)(C)[NH3+] ZINC000653210689 412140814 /nfs/dbraw/zinc/14/08/14/412140814.db2.gz FWLSUZVTEWZUHY-UHFFFAOYSA-N 2 0 263.385 1.540 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000653175876 412114723 /nfs/dbraw/zinc/11/47/23/412114723.db2.gz DXDJMZIEALQLOZ-KBPBESRZSA-N 2 0 269.433 1.469 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000653176193 412116932 /nfs/dbraw/zinc/11/69/32/412116932.db2.gz MSEQFHSCJHEOHC-OLZOCXBDSA-N 2 0 255.406 1.079 10 0 CDAERP CCO[C@@H]1CN(C(=O)[C@H]([NH3+])CC2CCCCC2)C[C@H]1C[NH3+] ZINC000653248407 412175176 /nfs/dbraw/zinc/17/51/76/412175176.db2.gz PYFUNYNNBHGRNL-RBSFLKMASA-N 2 0 297.443 1.106 10 0 CDAERP [NH3+]CC1(CCNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000653216063 412143954 /nfs/dbraw/zinc/14/39/54/412143954.db2.gz PYUHSLSSJNLZSU-OLZOCXBDSA-N 2 0 267.417 1.529 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000653220830 412147545 /nfs/dbraw/zinc/14/75/45/412147545.db2.gz YXIYJYVLPOWPLI-UHFFFAOYSA-N 2 0 267.417 1.352 10 0 CDAERP [NH3+]CC1(CCNC(=O)[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000653222664 412147700 /nfs/dbraw/zinc/14/77/00/412147700.db2.gz KREBDOSJZRCUCR-ZDUSSCGKSA-N 2 0 267.417 1.529 10 0 CDAERP C[C@@H]1CCCN(C(=O)COC2CCC([NH3+])CC2)[C@@H]1CC[NH3+] ZINC000653241129 412158804 /nfs/dbraw/zinc/15/88/04/412158804.db2.gz YAUKMXOFWXVQPG-XSCHDIRWSA-N 2 0 297.443 1.249 10 0 CDAERP c1cc([C@H]2C[NH2+]CCO2)ccc1N[C@@H]1CCC[NH2+]CC1 ZINC000656793211 413671625 /nfs/dbraw/zinc/67/16/25/413671625.db2.gz QXCRPNQCFOXEBU-GDBMZVCRSA-N 2 0 275.396 1.902 10 0 CDAERP CCN(C(=O)NCC1([NH+](C)C)CCC1)[C@H]1CC[N@H+](CC)C1 ZINC000664720589 413614040 /nfs/dbraw/zinc/61/40/40/413614040.db2.gz MJVODWZDSWONPZ-AWEZNQCLSA-N 2 0 296.459 1.596 10 0 CDAERP CC(C)(CCC[NH3+])NC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000659313082 413704994 /nfs/dbraw/zinc/70/49/94/413704994.db2.gz MDEMTDJTSZTIOS-AWEZNQCLSA-N 2 0 275.396 1.855 10 0 CDAERP CCN(C(=O)N[C@@H](C)C[NH+](C)C(C)C)[C@@H]1CC[N@H+](CC)C1 ZINC000664919644 413730986 /nfs/dbraw/zinc/73/09/86/413730986.db2.gz HMGDBJNDWPPHPF-LSDHHAIUSA-N 2 0 298.475 1.841 10 0 CDAERP C[C@H]([NH3+])[C@@H]1CN(c2cc[nH+]c3ccccc32)CCO1 ZINC000132935899 413794975 /nfs/dbraw/zinc/79/49/75/413794975.db2.gz CZOBTHMSWVEWIY-NHYWBVRUSA-N 2 0 257.337 1.787 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661145318 413831634 /nfs/dbraw/zinc/83/16/34/413831634.db2.gz KKKQSYURXMBPER-ZIAGYGMSSA-N 2 0 263.389 1.084 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000659468543 413857406 /nfs/dbraw/zinc/85/74/06/413857406.db2.gz BTPUEYIBFXFCAI-MRVWCRGKSA-N 2 0 282.432 1.142 10 0 CDAERP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H](C)c1nccn1C ZINC000661206336 413888087 /nfs/dbraw/zinc/88/80/87/413888087.db2.gz QYGZNYLFPFWTKQ-NEPJUHHUSA-N 2 0 281.404 1.509 10 0 CDAERP Cc1cncc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000665274869 414009601 /nfs/dbraw/zinc/00/96/01/414009601.db2.gz ZTZNKFLGRBKPEC-XHSDSOJGSA-N 2 0 274.412 1.838 10 0 CDAERP C[C@@H]([NH3+])C[C@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000665233483 413957188 /nfs/dbraw/zinc/95/71/88/413957188.db2.gz IWOSVJSUGFEQGW-KGLIPLIRSA-N 3 0 283.460 1.593 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cnc(C(F)(F)F)nc1 ZINC000665234521 413957974 /nfs/dbraw/zinc/95/79/74/413957974.db2.gz FDNAHDLUXCWOJF-NXEZZACHSA-N 2 0 274.290 1.712 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](C)c1ccccn1 ZINC000665233035 413959496 /nfs/dbraw/zinc/95/94/96/413959496.db2.gz ZRPDEOKBMSFDBY-CHWSQXEVSA-N 2 0 251.374 1.529 10 0 CDAERP [NH3+][C@@H]1CN(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC[C@H]1F ZINC000659562279 413975208 /nfs/dbraw/zinc/97/52/08/413975208.db2.gz ZQMNRQLDVICICS-MQYQWHSLSA-N 2 0 298.406 1.084 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665252011 413981008 /nfs/dbraw/zinc/98/10/08/413981008.db2.gz FAMSEXJDWANGFN-SJXGUFTOSA-N 2 0 261.413 1.848 10 0 CDAERP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1c(C2CCC2)cnn1C ZINC000665273610 414004488 /nfs/dbraw/zinc/00/44/88/414004488.db2.gz AEDSDHFJMLRGKA-GLQYFDAESA-N 2 0 292.427 1.530 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000659621975 414033568 /nfs/dbraw/zinc/03/35/68/414033568.db2.gz MBEXHVSGIGEKPG-KFWWJZLASA-N 2 0 296.459 1.486 10 0 CDAERP C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)[C@@H]1C[C@H]1c1ccccc1 ZINC000665292858 414035876 /nfs/dbraw/zinc/03/58/76/414035876.db2.gz KVSHFJYLOSJXGN-CQDKDKBSSA-N 2 0 298.390 1.923 10 0 CDAERP CCCCC[N@H+](C)[C@H]1CC2(CC[C@@H]1[NH3+])OCCO2 ZINC000037165703 173000943 /nfs/dbraw/zinc/00/09/43/173000943.db2.gz VVZOEQJTAFMUTF-STQMWFEESA-N 2 0 256.390 1.731 10 0 CDAERP Cc1ccc([C@@H](C[NH3+])N2CCC[N@@H+](C)CC2)cc1C ZINC000037179997 173012983 /nfs/dbraw/zinc/01/29/83/173012983.db2.gz OGPKQGGFMDHKFJ-MRXNPFEDSA-N 2 0 261.413 1.941 10 0 CDAERP C[C@H](NCCC[NH+]1CCCC1)[C@H]1CCC[N@H+](C)C1 ZINC000037220935 173039795 /nfs/dbraw/zinc/03/97/95/173039795.db2.gz GKVMHRHOMSYUOK-GJZGRUSLSA-N 2 0 253.434 1.792 10 0 CDAERP CC[NH2+]Cc1ccccc1NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000127625531 414061989 /nfs/dbraw/zinc/06/19/89/414061989.db2.gz GTFFMPZICIDJSQ-LBPRGKRZSA-N 2 0 261.369 1.734 10 0 CDAERP C[C@@H]1CCC[C@H](C)C1[NH2+]CCN1CC[NH+](C)CC1 ZINC000037496866 173235725 /nfs/dbraw/zinc/23/57/25/173235725.db2.gz PNMTUESOYKPMMR-YIONKMFJSA-N 2 0 253.434 1.648 10 0 CDAERP CCC[NH+]1CCC([C@H](C)[NH2+]CC(OC)OC)CC1 ZINC000037566707 173514726 /nfs/dbraw/zinc/51/47/26/173514726.db2.gz SIYNDLAULWIWAV-LBPRGKRZSA-N 2 0 258.406 1.705 10 0 CDAERP CC[C@@H](CCO)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657372491 414251695 /nfs/dbraw/zinc/25/16/95/414251695.db2.gz GDWVROYTJHWPKY-LBPRGKRZSA-N 2 0 260.341 1.518 10 0 CDAERP C[C@@H]([NH2+][C@H]1CCNC1=O)c1ccc(-n2ccnc2)cc1 ZINC000663456356 414266684 /nfs/dbraw/zinc/26/66/84/414266684.db2.gz ICORUTQLOSZQIA-RISCZKNCSA-N 2 0 270.336 1.411 10 0 CDAERP OC[C@H]1CC[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000657395340 414280692 /nfs/dbraw/zinc/28/06/92/414280692.db2.gz CLVLDAOXPOYXST-HDJSIYSDSA-N 2 0 286.379 1.908 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@@H]1NCc1nc2c(s1)C[NH2+]CC2 ZINC000663495232 414293721 /nfs/dbraw/zinc/29/37/21/414293721.db2.gz WCMCMMALEPVTMM-QWRGUYRKSA-N 2 0 280.441 1.396 10 0 CDAERP O[C@]1(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CCCOC1 ZINC000659957496 414297731 /nfs/dbraw/zinc/29/77/31/414297731.db2.gz UDOFNTFIYQUQSL-HOTGVXAUSA-N 2 0 282.428 1.336 10 0 CDAERP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@]2(O)CCCOC2)C1 ZINC000659975550 414313092 /nfs/dbraw/zinc/31/30/92/414313092.db2.gz XFNAYYLRAQWYKN-CVEARBPZSA-N 2 0 282.428 1.192 10 0 CDAERP CO[C@@H](C[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCOC1 ZINC000660003114 414343474 /nfs/dbraw/zinc/34/34/74/414343474.db2.gz DWQDOKCAJYDMQY-ZBFHGGJFSA-N 2 0 291.395 1.255 10 0 CDAERP C[N@H+](CCCOc1ccccc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662252843 414587468 /nfs/dbraw/zinc/58/74/68/414587468.db2.gz QIIWMIHNUMGQFV-MRXNPFEDSA-N 2 0 290.407 1.908 10 0 CDAERP C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662257925 414592062 /nfs/dbraw/zinc/59/20/62/414592062.db2.gz HCADQIHXYGERPP-FMKPAKJESA-N 2 0 296.455 1.674 10 0 CDAERP CC(C)(C)CC[NH+]1CCN(C[C@H]2C[NH2+]CCO2)CC1 ZINC000662261450 414597001 /nfs/dbraw/zinc/59/70/01/414597001.db2.gz YVJCMBXNMXGEGE-CQSZACIVSA-N 2 0 269.433 1.029 10 0 CDAERP CC1CCC([NH+]2CCN(C[C@@H]3C[NH2+]CCO3)CC2)CC1 ZINC000662264714 414600251 /nfs/dbraw/zinc/60/02/51/414600251.db2.gz VGRFBELWLIODCC-GPANFISMSA-N 2 0 281.444 1.171 10 0 CDAERP c1nc2ccccc2n1CCC[NH2+]C1CC[NH2+]CC1 ZINC000038040687 174040830 /nfs/dbraw/zinc/04/08/30/174040830.db2.gz ROVJUJWRCCIOGB-UHFFFAOYSA-N 2 0 258.369 1.768 10 0 CDAERP CCC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]C[C@@H]2COCCO2)C1 ZINC000038060784 174071682 /nfs/dbraw/zinc/07/16/82/174071682.db2.gz HGDSCHCRRJGRSM-QLFBSQMISA-N 2 0 270.417 1.502 10 0 CDAERP CC[C@@H](C(C)C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508187 174303670 /nfs/dbraw/zinc/30/36/70/174303670.db2.gz GABCFQSYBUHOTB-UONOGXRCSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@@H](C(=O)Nc1ccc(C[NH3+])cc1)[N@@H+]1CC[C@@H](C)C1 ZINC000040717002 174384370 /nfs/dbraw/zinc/38/43/70/174384370.db2.gz SLCXZWMXISAFDE-NEPJUHHUSA-N 2 0 261.369 1.814 10 0 CDAERP C[N@H+](Cc1ccc(C(N)=O)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746979 174391941 /nfs/dbraw/zinc/39/19/41/174391941.db2.gz STGIUTCLTYDKQQ-YIONKMFJSA-N 2 0 273.380 1.500 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1COc2cc(O)ccc21 ZINC000040749159 174393541 /nfs/dbraw/zinc/39/35/41/174393541.db2.gz XDDWVAKGPAUJIA-UWFZAAFLSA-N 2 0 260.337 1.780 10 0 CDAERP CCC(CC)[C@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)[NH+](C)C ZINC000040831545 174413374 /nfs/dbraw/zinc/41/33/74/174413374.db2.gz NOGJQBFFYOKHMJ-QWHCGFSZSA-N 2 0 271.449 1.842 10 0 CDAERP C[C@H]([NH3+])[C@@H](c1cccnc1)N1CCC([NH+](C)C)CC1 ZINC000043346793 175017433 /nfs/dbraw/zinc/01/74/33/175017433.db2.gz BKXISCAYNUBLPU-WFASDCNBSA-N 2 0 262.401 1.496 10 0 CDAERP CN(C)C(=O)CCC[N@H+](CCC[NH3+])C1CCCCC1 ZINC000043448110 175049031 /nfs/dbraw/zinc/04/90/31/175049031.db2.gz KWRXNANGUURFFC-UHFFFAOYSA-N 2 0 269.433 1.838 10 0 CDAERP CN(C)C(=O)CCC[N@H+](CCC[NH3+])C1CCCC1 ZINC000043448109 175049048 /nfs/dbraw/zinc/04/90/48/175049048.db2.gz WFUDZGSPRJXCAK-UHFFFAOYSA-N 2 0 255.406 1.448 10 0 CDAERP CN(C)C(=O)CCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000043454021 175049626 /nfs/dbraw/zinc/04/96/26/175049626.db2.gz VTFBBBXCZVJYBN-KBPBESRZSA-N 2 0 267.417 1.319 10 0 CDAERP CCC[NH+]1CCN([C@H]2Cc3ccccc3[C@@H]2[NH2+]C)CC1 ZINC000043805321 175107661 /nfs/dbraw/zinc/10/76/61/175107661.db2.gz OYZXHROYQYAZEK-IRXDYDNUSA-N 2 0 273.424 1.899 10 0 CDAERP C[NH2+][C@@H]1c2ccccc2CCC[C@@H]1N1CC[NH+](C)CC1 ZINC000043810343 175109529 /nfs/dbraw/zinc/10/95/29/175109529.db2.gz UCTXROGJKZEPFF-DLBZAZTESA-N 2 0 273.424 1.899 10 0 CDAERP C[NH+](C)CC1CC[NH+]([C@H]2CCCCC[C@@H]2O)CC1 ZINC000044169684 175148729 /nfs/dbraw/zinc/14/87/29/175148729.db2.gz SLKQPPNCVXWVIW-GJZGRUSLSA-N 2 0 254.418 1.954 10 0 CDAERP C[C@@H](NC[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCC[NH+](C)C1 ZINC000044534019 175197182 /nfs/dbraw/zinc/19/71/82/175197182.db2.gz KBHVMEWTHLXXLV-QLFBSQMISA-N 2 0 253.434 1.648 10 0 CDAERP [NH3+]CC1(C(=O)N[C@H]2C[NH+]3CCC2CC3)CCCCCC1 ZINC000044753285 175245462 /nfs/dbraw/zinc/24/54/62/175245462.db2.gz OWZWOGFSSOKDHF-AWEZNQCLSA-N 2 0 279.428 1.496 10 0 CDAERP CCC[C@@H](C[NH3+])C(=O)N[C@@H](C)CCC[NH+](CC)CC ZINC000044798914 175255270 /nfs/dbraw/zinc/25/52/70/175255270.db2.gz ITSMEPRWTRXCIO-KBPBESRZSA-N 2 0 271.449 1.988 10 0 CDAERP C[C@@H]([NH3+])c1ccc(NC(=O)NC[C@@H](C)[NH+](C)C)cc1 ZINC000045114008 175311011 /nfs/dbraw/zinc/31/10/11/175311011.db2.gz QZHCGOWLCAVMKN-GHMZBOCLSA-N 2 0 264.373 1.778 10 0 CDAERP C[C@@]([NH3+])(CCCC[NH+]1CCCCCCC1)C(N)=O ZINC000045371404 175364092 /nfs/dbraw/zinc/36/40/92/175364092.db2.gz DPCAHFUSVVRPSO-CQSZACIVSA-N 2 0 255.406 1.626 10 0 CDAERP CCCC[N@H+](CC)CCC[C@@](C)([NH2+]CC)C(N)=O ZINC000045370712 175364321 /nfs/dbraw/zinc/36/43/21/175364321.db2.gz PGWJVHOLMMHEHY-CQSZACIVSA-N 2 0 257.422 1.742 10 0 CDAERP CCC[N@H+](CCCC[C@@](C)([NH2+]C)C(N)=O)C(C)C ZINC000045385851 175372035 /nfs/dbraw/zinc/37/20/35/175372035.db2.gz YCQYXRLPLOMGQH-CQSZACIVSA-N 2 0 257.422 1.741 10 0 CDAERP CCOC(=O)[C@@](C)([NH3+])CCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000045391057 175375046 /nfs/dbraw/zinc/37/50/46/175375046.db2.gz QLZZVUZYDCGQGP-JSGCOSHPSA-N 2 0 272.389 1.158 10 0 CDAERP CCC[NH2+][C@](C)(CCCN1CCC([NH+](C)C)CC1)C(N)=O ZINC000045392573 175375585 /nfs/dbraw/zinc/37/55/85/175375585.db2.gz PZQPMRLRLOHULJ-MRXNPFEDSA-N 2 0 298.475 1.036 10 0 CDAERP CC(C)NC(=O)CC[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056522238 175584666 /nfs/dbraw/zinc/58/46/66/175584666.db2.gz CAVXOSBBOZRYIE-UHFFFAOYSA-N 2 0 269.433 1.565 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)CC[C@@H](C)[NH3+])CC1 ZINC000070315136 175887356 /nfs/dbraw/zinc/88/73/56/175887356.db2.gz XEMICXXOBUWXKG-GFCCVEGCSA-N 2 0 255.406 1.495 10 0 CDAERP CC(C)[NH2+][C@](C)(CO)CCCN1CC[NH+](C(C)(C)C)CC1 ZINC000070514793 175963634 /nfs/dbraw/zinc/96/36/34/175963634.db2.gz KOIMXXNMTPVGPU-KRWDZBQOSA-N 2 0 299.503 1.932 10 0 CDAERP CCC[NH2+][C@@H]1CCCN([C@@H](CC(C)C)C[NH+](C)C)C1=O ZINC000071031990 176023216 /nfs/dbraw/zinc/02/32/16/176023216.db2.gz VYJOUISTYMYNHB-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP O=C1[C@@H]([NH2+]C2CC2)CCCN1CC[NH+]1CCCCC1 ZINC000071032249 176023532 /nfs/dbraw/zinc/02/35/32/176023532.db2.gz VCJVQECLPVEHQJ-AWEZNQCLSA-N 2 0 265.401 1.215 10 0 CDAERP CC[NH2+][C@@H]1CCCN(C[C@H]2CC[N@@H+](C(C)C)C2)C1=O ZINC000071035254 176024745 /nfs/dbraw/zinc/02/47/45/176024745.db2.gz AUKOIUIBAQZLPT-UONOGXRCSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@@H](C(=O)Nc1cccc(N)c1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071187680 176060875 /nfs/dbraw/zinc/06/08/75/176060875.db2.gz YQCKHRDMTOBKDO-QWHCGFSZSA-N 2 0 290.411 1.479 10 0 CDAERP C[C@H]([NH3+])[C@@H](c1ccco1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071187980 176061260 /nfs/dbraw/zinc/06/12/60/176061260.db2.gz WBKRRWBXMGQJDR-SCRDCRAPSA-N 2 0 251.374 1.551 10 0 CDAERP Cc1cccc([C@H](C[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000071187873 176061537 /nfs/dbraw/zinc/06/15/37/176061537.db2.gz ZHHWIHZPOWYKQC-ZBFHGGJFSA-N 2 0 261.413 1.878 10 0 CDAERP CC(C)[NH+]1CCC(C[NH3+])(N(C)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000071188552 176062699 /nfs/dbraw/zinc/06/26/99/176062699.db2.gz BVLAXZVIWJDYJP-OAHLLOKOSA-N 3 0 282.476 1.072 10 0 CDAERP C[NH2+][C@@H]1c2ccccc2OC[C@H]1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188882 176064046 /nfs/dbraw/zinc/06/40/46/176064046.db2.gz OSDGSSNRRLKEQJ-FRFSOERESA-N 2 0 289.423 1.592 10 0 CDAERP CN(C[C@H]1CC[N@H+](C)C1)c1nc2ccccn2c1C[NH3+] ZINC000071189995 176065739 /nfs/dbraw/zinc/06/57/39/176065739.db2.gz WTCBOLBYFNPDQJ-LBPRGKRZSA-N 2 0 273.384 1.181 10 0 CDAERP CC[NH2+][C@@H]1CCC[C@@H]1CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191302 176069969 /nfs/dbraw/zinc/06/99/69/176069969.db2.gz JBRQRANJQNAGQQ-RBSFLKMASA-N 2 0 253.434 1.648 10 0 CDAERP CC[NH2+]Cc1ccoc1CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191882 176071706 /nfs/dbraw/zinc/07/17/06/176071706.db2.gz OHHKKPLRUXCBCN-CYBMUJFWSA-N 2 0 265.401 1.773 10 0 CDAERP C[NH2+]Cc1coc(CN(C)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000071191822 176072881 /nfs/dbraw/zinc/07/28/81/176072881.db2.gz CVDWJGNQDCXLAS-GFCCVEGCSA-N 2 0 251.374 1.383 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](NCC[NH+](C)C2CCCC2)C1 ZINC000071377149 176142389 /nfs/dbraw/zinc/14/23/89/176142389.db2.gz MTHKFBCTKXGZAV-AWEZNQCLSA-N 2 0 253.434 1.933 10 0 CDAERP CC[C@]1(C(=O)NCC[N@H+](C)C2CCCC2)CCC[NH2+]C1 ZINC000071378479 176142881 /nfs/dbraw/zinc/14/28/81/176142881.db2.gz JATVTHROVJXQEJ-INIZCTEOSA-N 2 0 281.444 1.757 10 0 CDAERP C[N@H+](CCNC(=O)C1(C[NH3+])CCCCC1)C1CCCC1 ZINC000071377506 176143029 /nfs/dbraw/zinc/14/30/29/176143029.db2.gz CJIIXGRQRZUFEK-UHFFFAOYSA-N 2 0 281.444 1.886 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1CCCC[C@@H]1[NH3+])C1CCCC1 ZINC000071380178 176144166 /nfs/dbraw/zinc/14/41/66/176144166.db2.gz KJDYFVTVDYWDGD-KBPBESRZSA-N 2 0 267.417 1.495 10 0 CDAERP C[NH+](C)[C@H]1CCN(C(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000071401542 176153853 /nfs/dbraw/zinc/15/38/53/176153853.db2.gz NIFVDVJCAVGPKO-LSDHHAIUSA-N 2 0 275.396 1.629 10 0 CDAERP COc1cccc([C@@H](C)N2CCCO[C@@H](C[NH3+])C2)c1 ZINC000313355152 260286881 /nfs/dbraw/zinc/28/68/81/260286881.db2.gz QTTCBCLZDYGUIT-DOMZBBRYSA-N 2 0 264.369 1.806 10 0 CDAERP C[C@H]1CC2(C[N@@H+]1Cc1nc(N(C)C)no1)CC[NH2+]CC2 ZINC000662282223 423876668 /nfs/dbraw/zinc/87/66/68/423876668.db2.gz DNKDZDXRCSKAQD-NSHDSACASA-N 2 0 279.388 1.100 10 0 CDAERP C(c1nc2c(s1)C[NH2+]CC2)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000663496785 423889893 /nfs/dbraw/zinc/88/98/93/423889893.db2.gz YOYDFVNXKLGOBA-NSHDSACASA-N 2 0 278.425 1.115 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655444525 423852522 /nfs/dbraw/zinc/85/25/22/423852522.db2.gz GUHDGIDLKQAOJU-IJEWVQPXSA-N 2 0 279.428 1.367 10 0 CDAERP C[C@H](O)CCC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662323981 423955957 /nfs/dbraw/zinc/95/59/57/423955957.db2.gz RSBNXPPKHUVRTP-KBPBESRZSA-N 2 0 258.406 1.190 10 0 CDAERP C[N@H+](CCOC(C)(C)C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662287120 423912253 /nfs/dbraw/zinc/91/22/53/423912253.db2.gz WGSNJYIYUBBFNI-LBPRGKRZSA-N 2 0 256.390 1.254 10 0 CDAERP CN(CC1C[NH+](C)C1)C(=O)NCCCCC[NH+]1CCCC1 ZINC000661243138 424078117 /nfs/dbraw/zinc/07/81/17/424078117.db2.gz YRYHTDSUFAIZTM-UHFFFAOYSA-N 2 0 296.459 1.456 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCC2(C[NH3+])CC2)C[C@H]1C ZINC000652240093 424120279 /nfs/dbraw/zinc/12/02/79/424120279.db2.gz PHKGOLNGKDYCHI-KGLIPLIRSA-N 2 0 296.459 1.630 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)[C@H]2CCC[C@H]21 ZINC000652251945 424153643 /nfs/dbraw/zinc/15/36/43/424153643.db2.gz VFXPQZDGPLLYFP-KYFQHEKYSA-N 2 0 250.386 1.769 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000662622151 424244103 /nfs/dbraw/zinc/24/41/03/424244103.db2.gz POBULPYEOZIJKM-AVGNSLFASA-N 2 0 267.417 1.493 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662702233 424343178 /nfs/dbraw/zinc/34/31/78/424343178.db2.gz IIVQCUWXJRKDSR-LLVKDONJSA-N 2 0 253.390 1.118 10 0 CDAERP CO[C@@H]1C[N@H+](CCCc2cncn2C)CC[C@H]1C ZINC000653634734 424386490 /nfs/dbraw/zinc/38/64/90/424386490.db2.gz GRJHEIMBDKSCPZ-TZMCWYRMSA-N 2 0 251.374 1.710 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](OC)C1CCCC1 ZINC000665275964 424488343 /nfs/dbraw/zinc/48/83/43/424488343.db2.gz WGHNGUXEBARGCW-UONOGXRCSA-N 2 0 258.406 1.535 10 0 CDAERP CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@H](C)[NH3+] ZINC000655489628 424507187 /nfs/dbraw/zinc/50/71/87/424507187.db2.gz WVHMZSGKNBFMSH-WUHRBBMRSA-N 2 0 255.406 1.062 10 0 CDAERP C[C@H](CC(=O)N[C@@H](C[NH3+])C(F)(F)F)C1CC[NH2+]CC1 ZINC000655504989 424667940 /nfs/dbraw/zinc/66/79/40/424667940.db2.gz MREKHHIXTQLSGV-SCZZXKLOSA-N 2 0 281.322 1.018 10 0 CDAERP CC(C)[N@H+](C)CCN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001667580891 1173293313 /nfs/dbraw/zinc/29/33/13/1173293313.db2.gz RLBDYZCKFWCHNS-AWEZNQCLSA-N 2 0 269.433 1.659 10 0 CDAERP Cc1n[nH]c(C)c1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530247573 271182823 /nfs/dbraw/zinc/18/28/23/271182823.db2.gz ASPQVNDOKZZZKR-HNNXBMFYSA-N 2 0 292.427 1.617 10 0 CDAERP OC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)Cc2ccccc2C1 ZINC000372205434 275044795 /nfs/dbraw/zinc/04/47/95/275044795.db2.gz UMSOBZJQHRBDOA-IAGOWNOFSA-N 2 0 286.419 1.733 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CCNC(=O)CC2)[C@H](C)C1 ZINC000450555459 276224931 /nfs/dbraw/zinc/22/49/31/276224931.db2.gz AYSSWSQDDXFIEN-ILXRZTDVSA-N 2 0 281.444 1.565 10 0 CDAERP C1C[C@H]([C@H]2CCCC[C@H]2[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)CO1 ZINC000423460033 276853275 /nfs/dbraw/zinc/85/32/75/276853275.db2.gz SIEXPPSPZJSVKX-XWSJDDSLSA-N 2 0 250.386 1.389 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000334629976 277057916 /nfs/dbraw/zinc/05/79/16/277057916.db2.gz FDFUFWUSSXIXEI-JXQTWKCFSA-N 2 0 265.401 1.214 10 0 CDAERP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCCC[C@@H]3O)CC[C@@H]21 ZINC000129157694 277069520 /nfs/dbraw/zinc/06/95/20/277069520.db2.gz PYXQDQCYGJVDLT-BARDWOONSA-N 2 0 252.402 1.706 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCCC[NH3+])C1 ZINC000417912858 277391248 /nfs/dbraw/zinc/39/12/48/277391248.db2.gz OZSJFAPYSOEQFG-ZDUSSCGKSA-N 2 0 270.421 1.002 10 0 CDAERP C[C@@H](CC[NH2+]Cc1ccccc1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001668309401 1173394304 /nfs/dbraw/zinc/39/43/04/1173394304.db2.gz IYDXLVPVUPLDFZ-HOCLYGCPSA-N 2 0 289.423 1.623 10 0 CDAERP CC(C)[C@@H](C(=O)NC1CC([NH+]2CCCCC2)C1)[C@@H](C)[NH3+] ZINC000423805445 277720148 /nfs/dbraw/zinc/72/01/48/277720148.db2.gz UHEVGPRFZXPJSM-XSCHDIRWSA-N 2 0 281.444 1.739 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CC[NH2+]CC1CC1 ZINC001668321438 1173395540 /nfs/dbraw/zinc/39/55/40/1173395540.db2.gz ZHRVHALWNAKINW-LBPRGKRZSA-N 2 0 255.406 1.221 10 0 CDAERP C[C@@H](CCC[NH3+])NC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000418696780 278227771 /nfs/dbraw/zinc/22/77/71/278227771.db2.gz FFBSNWKFJMGQQN-AWEZNQCLSA-N 2 0 292.427 1.327 10 0 CDAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000262655687 279035758 /nfs/dbraw/zinc/03/57/58/279035758.db2.gz CQCNACCRLPASJY-JONQDZQNSA-N 2 0 293.455 1.707 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC000345760068 279158038 /nfs/dbraw/zinc/15/80/38/279158038.db2.gz MKPUCVMWYUKZKB-QLFBSQMISA-N 2 0 298.475 1.841 10 0 CDAERP CC(C)C[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000236647890 279174874 /nfs/dbraw/zinc/17/48/74/279174874.db2.gz SKTDUHDYOZTILC-AVGNSLFASA-N 2 0 255.406 1.301 10 0 CDAERP CC[NH+]1CCC(CC[NH2+][C@H]2CN(C)C[C@H]2C)CC1 ZINC000344581476 279257248 /nfs/dbraw/zinc/25/72/48/279257248.db2.gz AETVSFLGZIMYNU-HIFRSBDPSA-N 2 0 253.434 1.648 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000127816222 279349985 /nfs/dbraw/zinc/34/99/85/279349985.db2.gz PWUWEXRADDJDSE-STQMWFEESA-N 2 0 255.406 1.268 10 0 CDAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCC(=O)N(C)C1 ZINC000251180154 279367879 /nfs/dbraw/zinc/36/78/79/279367879.db2.gz HAKZDXWMDOCETL-RDBSUJKOSA-N 2 0 267.417 1.508 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000418201379 279377799 /nfs/dbraw/zinc/37/77/99/279377799.db2.gz RNXXJIBYIDEURJ-IHRRRGAJSA-N 2 0 282.432 1.109 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000194150763 280025406 /nfs/dbraw/zinc/02/54/06/280025406.db2.gz BNYQPJIFQDRHRB-UONOGXRCSA-N 2 0 294.443 1.254 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000195127797 280071056 /nfs/dbraw/zinc/07/10/56/280071056.db2.gz BVSMQZLXNSKHHS-OLZOCXBDSA-N 2 0 270.421 1.110 10 0 CDAERP CC(C)[C@H](C(=O)NCC[N@@H+]1CCCC[C@@H]1C)[NH+](C)C ZINC000123950796 280170725 /nfs/dbraw/zinc/17/07/25/280170725.db2.gz YGUWTQTWJSCSII-UONOGXRCSA-N 2 0 269.433 1.563 10 0 CDAERP CC[C@@H](O)C[N@H+](C)[C@@H]1CCC[NH+](C[C@H](O)CC)CC1 ZINC000156982871 280200467 /nfs/dbraw/zinc/20/04/67/280200467.db2.gz FBKFAHOQOCZGGR-RBSFLKMASA-N 2 0 272.433 1.315 10 0 CDAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@H]2CCC[NH+](C)C2)C1 ZINC000247319648 280327870 /nfs/dbraw/zinc/32/78/70/280327870.db2.gz MJCWLDRNZKCGLH-RBSFLKMASA-N 2 0 296.459 1.356 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C[C@@H](O)CC(F)(F)F)C1 ZINC000248946776 280396536 /nfs/dbraw/zinc/39/65/36/280396536.db2.gz DMMIIQIAIWDKTD-RYUDHWBXSA-N 2 0 282.350 1.963 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN[C@@H]1C[NH2+]CC[C@H]1C ZINC000518339182 281017902 /nfs/dbraw/zinc/01/79/02/281017902.db2.gz QMOTYGBWOBJXAT-MLGOLLRUSA-N 2 0 285.395 1.663 10 0 CDAERP CC1(C)NC(=O)CC[C@@H]1[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423488292 281384843 /nfs/dbraw/zinc/38/48/43/281384843.db2.gz VEBAMOFIKKEQAY-RYUDHWBXSA-N 2 0 253.390 1.165 10 0 CDAERP CN(C(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)C1CC[NH+](C)CC1 ZINC000250639923 281839648 /nfs/dbraw/zinc/83/96/48/281839648.db2.gz SVLFBQQNJLNLKX-YUELXQCFSA-N 2 0 279.428 1.460 10 0 CDAERP CCN(CC[NH2+]C[C@H](C)O)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001668575361 1173429437 /nfs/dbraw/zinc/42/94/37/1173429437.db2.gz QPMYVBWSIGBIQX-LSDHHAIUSA-N 2 0 299.459 1.068 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000234240318 289066944 /nfs/dbraw/zinc/06/69/44/289066944.db2.gz YBTVRDOJGHVNQX-ZDUSSCGKSA-N 2 0 267.417 1.317 10 0 CDAERP CCCC[N@H+](C)CC1CC[NH+](CC2(O)CCOCC2)CC1 ZINC000156245356 289260743 /nfs/dbraw/zinc/26/07/43/289260743.db2.gz QFZAZIWKUPBFPG-UHFFFAOYSA-N 2 0 298.471 1.972 10 0 CDAERP C[C@H](C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1)[NH+]1CCCCCC1 ZINC000261733651 289298194 /nfs/dbraw/zinc/29/81/94/289298194.db2.gz CXGBEGWIJFROMM-ZIAGYGMSSA-N 2 0 281.444 1.837 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH+]2CCCCC2)C1 ZINC000553209327 290103310 /nfs/dbraw/zinc/10/33/10/290103310.db2.gz ZOUGHTSRVUJZFY-CQSZACIVSA-N 2 0 267.417 1.320 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@](C)(O)C2CC2)[C@@H]2CCC[C@H]21 ZINC000353521301 290220776 /nfs/dbraw/zinc/22/07/76/290220776.db2.gz QUTSBGJVQKMJDT-XQLPTFJDSA-N 2 0 252.402 1.610 10 0 CDAERP C[N@@H+]1CC[C@]2(CC[NH+](CCCNC(=O)C(F)(F)F)C2)C1 ZINC000366543474 290252149 /nfs/dbraw/zinc/25/21/49/290252149.db2.gz HNYZBWJJXPSRTK-LBPRGKRZSA-N 2 0 293.333 1.083 10 0 CDAERP CCCN(C(=O)NCC1([NH3+])CCCCCC1)[C@@H]1CC[NH2+]C1 ZINC000557208151 290336171 /nfs/dbraw/zinc/33/61/71/290336171.db2.gz PXJUGXKQOXKHDQ-CQSZACIVSA-N 2 0 296.459 1.822 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H](c2ccsc2)[NH+](C)C)C1 ZINC000561113843 293051342 /nfs/dbraw/zinc/05/13/42/293051342.db2.gz NMOKUEMCZAPVRA-TZMCWYRMSA-N 2 0 295.452 1.809 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000423028953 293097232 /nfs/dbraw/zinc/09/72/32/293097232.db2.gz UFXDGUJLYSPHMO-HZSPNIEDSA-N 2 0 272.433 1.924 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H]2CCOC2(C)C)CC1 ZINC000562707142 293179875 /nfs/dbraw/zinc/17/98/75/293179875.db2.gz ISXKKVINLCJJFO-CQSZACIVSA-N 2 0 297.443 1.133 10 0 CDAERP C[C@@H]1CN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CC[C@@H]1[NH3+] ZINC000563102925 293274932 /nfs/dbraw/zinc/27/49/32/293274932.db2.gz NTZCIZMOSIMMLE-MCIONIFRSA-N 2 0 267.417 1.447 10 0 CDAERP [NH3+][C@@H](Cc1ccccc1)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000563117642 293280220 /nfs/dbraw/zinc/28/02/20/293280220.db2.gz KPQOXWACDLBAJR-XHSDSOJGSA-N 2 0 287.407 1.014 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000567383269 293773369 /nfs/dbraw/zinc/77/33/69/293773369.db2.gz VGDQZEAXCGEQNI-KZKMVBDOSA-N 2 0 268.405 1.037 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)cc1 ZINC000568264785 294003978 /nfs/dbraw/zinc/00/39/78/294003978.db2.gz WFZKUWVWJNGZEH-HZUKXOBISA-N 2 0 273.380 1.322 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H]2CC[NH2+][C@@H]2C)cc1 ZINC000568608791 294066370 /nfs/dbraw/zinc/06/63/70/294066370.db2.gz BEPPYKXRWCQBKO-MISXGVKJSA-N 2 0 261.369 1.321 10 0 CDAERP [NH3+]CC12CCC(CC1)CN2CCOC[C@H]1CCCO1 ZINC000570227068 294200063 /nfs/dbraw/zinc/20/00/63/294200063.db2.gz VHWQJXGNWMZWPX-SHARSMKWSA-N 2 0 268.401 1.385 10 0 CDAERP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CC1(O)Cc2ccccc2C1 ZINC000570709430 294293983 /nfs/dbraw/zinc/29/39/83/294293983.db2.gz XNUUMXAXYSWPEE-HZPDHXFCSA-N 2 0 274.408 1.766 10 0 CDAERP OCC1([NH2+]CC2CC2)CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC000570727102 294297568 /nfs/dbraw/zinc/29/75/68/294297568.db2.gz KSIUFCAIXVYDHV-MRXNPFEDSA-N 2 0 296.455 1.772 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N[C@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000570784723 294306264 /nfs/dbraw/zinc/30/62/64/294306264.db2.gz NGKLLKITWZZOGR-HIFRSBDPSA-N 2 0 296.459 1.406 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CNC[C@@H]([NH3+])C1CC1 ZINC000574782190 295054118 /nfs/dbraw/zinc/05/41/18/295054118.db2.gz WYKJMYJGVYTFSF-OAHLLOKOSA-N 2 0 271.368 1.403 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000262924702 297107095 /nfs/dbraw/zinc/10/70/95/297107095.db2.gz ZRZWKCNERXNILX-QMVSFRDZSA-N 2 0 265.401 1.021 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000417748515 297271117 /nfs/dbraw/zinc/27/11/17/297271117.db2.gz ILHBLJWNVMDVCQ-MBNYWOFBSA-N 2 0 280.416 1.005 10 0 CDAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000416794550 300002911 /nfs/dbraw/zinc/00/29/11/300002911.db2.gz PVGIFSBHPISESP-WCQYABFASA-N 2 0 296.459 1.593 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC[NH2+]1 ZINC000262332767 300404046 /nfs/dbraw/zinc/40/40/46/300404046.db2.gz FROWKSOLCUWYQP-WUHRBBMRSA-N 2 0 253.390 1.008 10 0 CDAERP C[C@H](C[NH2+]CC1CC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001669382305 1173543682 /nfs/dbraw/zinc/54/36/82/1173543682.db2.gz YVZOZVYOGCDFMQ-DYEKYZERSA-N 2 0 267.417 1.221 10 0 CDAERP [NH3+]C1(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CCCC1 ZINC000261743033 303356882 /nfs/dbraw/zinc/35/68/82/303356882.db2.gz OESHUVLUJNMWFI-UHFFFAOYSA-N 2 0 277.343 1.681 10 0 CDAERP [NH3+]C[C@H]1CCC[C@@H]1NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262249589 303424477 /nfs/dbraw/zinc/42/44/77/303424477.db2.gz SKWZSIUNFPHBDP-UKTARXLSSA-N 2 0 265.401 1.010 10 0 CDAERP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)C[C@@H]12 ZINC000248637600 303471790 /nfs/dbraw/zinc/47/17/90/303471790.db2.gz QQJSNWGXOVTFBP-QFEQQRJNSA-N 2 0 277.412 1.103 10 0 CDAERP CCC[N@H+](C)C[C@@H](C)NC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001669920802 1173631889 /nfs/dbraw/zinc/63/18/89/1173631889.db2.gz NJYPDEVFNJBGBV-HIFRSBDPSA-N 2 0 267.417 1.319 10 0 CDAERP [NH3+]CC[C@H](NC(=O)c1ccc(C[NH3+])cc1)C(F)(F)F ZINC000563535269 316326643 /nfs/dbraw/zinc/32/66/43/316326643.db2.gz RYFIJFKDXCGGQZ-JTQLQIEISA-N 2 0 275.274 1.155 10 0 CDAERP CC(C)CCC[C@H](C)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000566725117 316665434 /nfs/dbraw/zinc/66/54/34/316665434.db2.gz QMWOLDOOFTXFEI-HOTGVXAUSA-N 2 0 285.476 1.399 10 0 CDAERP C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]CCCF ZINC001672287211 1173762892 /nfs/dbraw/zinc/76/28/92/1173762892.db2.gz NNXOQTMHKWLEOH-UONOGXRCSA-N 2 0 299.434 1.514 10 0 CDAERP [NH3+][C@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000576695452 317187890 /nfs/dbraw/zinc/18/78/90/317187890.db2.gz SGTXUAFXBMYNEG-QPSCCSFWSA-N 2 0 279.428 1.637 10 0 CDAERP CCCC[N@H+](CC(N)=O)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000579722030 324266765 /nfs/dbraw/zinc/26/67/65/324266765.db2.gz FJDASRVZXYLEED-UHFFFAOYSA-N 2 0 275.396 1.420 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000579856541 324303972 /nfs/dbraw/zinc/30/39/72/324303972.db2.gz PKOJSCRADOYNLO-OLZOCXBDSA-N 2 0 255.406 1.175 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CCCC12CC2)CN1CC[NH+](C)CC1 ZINC000580330781 324438539 /nfs/dbraw/zinc/43/85/39/324438539.db2.gz UUNNUELOHSBHMP-HUUCEWRRSA-N 2 0 265.445 1.792 10 0 CDAERP CC[NH2+]CCCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000581537912 324773853 /nfs/dbraw/zinc/77/38/53/324773853.db2.gz DARJZJIYMCNLEF-AGIUHOORSA-N 2 0 253.390 1.023 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH2+][C@@H]2C)[C@@H](C)C1 ZINC000582847504 325055839 /nfs/dbraw/zinc/05/58/39/325055839.db2.gz RRHQNLQVNXDHJO-DGAVXFQQSA-N 2 0 267.417 1.173 10 0 CDAERP CNC(=O)[C@H](C)C[N@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000583569740 325201810 /nfs/dbraw/zinc/20/18/10/325201810.db2.gz LVRWUADWHLPXBB-GFCCVEGCSA-N 2 0 275.396 1.146 10 0 CDAERP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000583879867 325260149 /nfs/dbraw/zinc/26/01/49/325260149.db2.gz FHQOJVZYVYAKCV-ZNMIVQPWSA-N 2 0 270.417 1.048 10 0 CDAERP CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001699016423 1159206935 /nfs/dbraw/zinc/20/69/35/1159206935.db2.gz QXCRGNZQZZBUEY-ZIAGYGMSSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)[C@H](CNc1cc[nH+]cc1)[NH+]1CCN(C)CC1 ZINC000040770422 1159595204 /nfs/dbraw/zinc/59/52/04/1159595204.db2.gz HEAUFZNLISRNFA-HNNXBMFYSA-N 2 0 262.401 1.766 10 0 CDAERP CCCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001268379169 1159914645 /nfs/dbraw/zinc/91/46/45/1159914645.db2.gz OXKZMTFQBBIHET-ZIAGYGMSSA-N 2 0 269.433 1.755 10 0 CDAERP O[C@@H]1CC[N@@H+](C2CC[NH+](C[C@H]3CCSC3)CC2)C1 ZINC000668739870 482222642 /nfs/dbraw/zinc/22/26/42/482222642.db2.gz OZFHGNAADJESKS-TZMCWYRMSA-N 2 0 270.442 1.271 10 0 CDAERP CN(CC1C[NH+](C)C1)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000660820615 482408848 /nfs/dbraw/zinc/40/88/48/482408848.db2.gz DYVIYFNKDSUAGH-UHFFFAOYSA-N 2 0 282.432 1.064 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C1([C@H](C)O)CC1 ZINC000668701109 482504380 /nfs/dbraw/zinc/50/43/80/482504380.db2.gz WPAVGAJCSMPPIH-LBPRGKRZSA-N 2 0 272.352 1.579 10 0 CDAERP [NH3+]C[C@@H](C(=O)NC[C@H]1CCCC[NH2+]1)c1ccc(F)cc1 ZINC000669509636 482514941 /nfs/dbraw/zinc/51/49/41/482514941.db2.gz KAKKPGMQOCPGSS-ZIAGYGMSSA-N 2 0 279.359 1.126 10 0 CDAERP CCN1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC000680593169 482518504 /nfs/dbraw/zinc/51/85/04/482518504.db2.gz GQIOURDRGWLXDK-GFCCVEGCSA-N 2 0 276.384 1.314 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH3+])o2)[C@@H](C)C1 ZINC000236905642 482626765 /nfs/dbraw/zinc/62/67/65/482626765.db2.gz ZBDFHYKUTWZEFQ-AAEUAGOBSA-N 2 0 279.384 1.541 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000257738428 482750595 /nfs/dbraw/zinc/75/05/95/482750595.db2.gz WKZKWWAFWNNEQX-BFHYXJOUSA-N 2 0 267.417 1.637 10 0 CDAERP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CCC(C)(C)[NH3+] ZINC000094447021 482786609 /nfs/dbraw/zinc/78/66/09/482786609.db2.gz WNWGNTFPLPVHDQ-QWHCGFSZSA-N 2 0 267.417 1.589 10 0 CDAERP O=C([C@H]1C[NH2+]Cc2ccccc21)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000335452560 482833581 /nfs/dbraw/zinc/83/35/81/482833581.db2.gz MRSIGNCFYYWLNR-FUHWJXTLSA-N 2 0 299.418 1.476 10 0 CDAERP CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@H]([NH3+])C(C)C ZINC000136298977 482907971 /nfs/dbraw/zinc/90/79/71/482907971.db2.gz DYMYFFWQEYXVII-KGLIPLIRSA-N 2 0 271.449 1.987 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261710499 482919925 /nfs/dbraw/zinc/91/99/25/482919925.db2.gz JDKYUEXIILQXPG-LXTVHRRPSA-N 2 0 281.444 1.741 10 0 CDAERP Cn1c2ccc(C[NH2+][C@@H]3CCC[NH2+]CC3)cc2sc1=O ZINC000666857702 482952021 /nfs/dbraw/zinc/95/20/21/482952021.db2.gz FVBVVOLCVAOAHR-GFCCVEGCSA-N 2 0 291.420 1.832 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000229404788 483012031 /nfs/dbraw/zinc/01/20/31/483012031.db2.gz XVORBBUNSWSOFT-ZDUSSCGKSA-N 2 0 267.417 1.496 10 0 CDAERP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cn3cccc(F)c3n2)C1 ZINC000666963141 483022711 /nfs/dbraw/zinc/02/27/11/483022711.db2.gz XBPNSFJFFYRODD-WDEREUQCSA-N 2 0 262.332 1.690 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCC[NH2+]C1CC1 ZINC000669469247 483180489 /nfs/dbraw/zinc/18/04/89/483180489.db2.gz IHEXEBDIKBXUCP-STQMWFEESA-N 2 0 282.432 1.301 10 0 CDAERP CC[C@H]1CN(Cc2ccnn2-c2cc[nH+]cc2)CCO1 ZINC000667494072 483316900 /nfs/dbraw/zinc/31/69/00/483316900.db2.gz MBPGATFDDFHUND-HNNXBMFYSA-N 2 0 272.352 1.878 10 0 CDAERP C[NH+]1CCC(C)(CNC(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000679597478 483394385 /nfs/dbraw/zinc/39/43/85/483394385.db2.gz VWSGGPGBMXWYDE-ZDUSSCGKSA-N 2 0 282.432 1.112 10 0 CDAERP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H]3CO[C@@H](C4CC4)C3)C2)CC1 ZINC000667860307 483463126 /nfs/dbraw/zinc/46/31/26/483463126.db2.gz LUCSTUPTURXEQH-ZMSDIMECSA-N 2 0 293.455 1.312 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000667982659 483510133 /nfs/dbraw/zinc/51/01/33/483510133.db2.gz MSEGOSCPEDQLHR-CABCVRRESA-N 2 0 270.417 1.502 10 0 CDAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000667999143 483518985 /nfs/dbraw/zinc/51/89/85/483518985.db2.gz WEKHVNYOCUFCMV-BMFZPTHFSA-N 2 0 281.444 1.170 10 0 CDAERP C[C@H](CC[NH2+]CCC1CC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482890316 1160641237 /nfs/dbraw/zinc/64/12/37/1160641237.db2.gz PDDKHQPNEZHCAA-UKRRQHHQSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)N(C)C2CC[NH+](C)CC2)CC1 ZINC000096626220 1160731583 /nfs/dbraw/zinc/73/15/83/1160731583.db2.gz NUQYWWMIEVYEDK-UHFFFAOYSA-N 2 0 295.471 1.907 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)CCC1CC[NH2+]CC1 ZINC000050951199 519813949 /nfs/dbraw/zinc/81/39/49/519813949.db2.gz DWSPSEAVZZGKKB-AWEZNQCLSA-N 2 0 269.433 1.469 10 0 CDAERP CCC[NH+]1CCN(c2cc(C)ccc2C(N)=[NH2+])CC1 ZINC000051579119 519860253 /nfs/dbraw/zinc/86/02/53/519860253.db2.gz VFIDTDQZBNKYBP-UHFFFAOYSA-N 2 0 260.385 1.811 10 0 CDAERP CCC[NH2+]CC1(C[N@H+](CCOC)C2CC2)CCOCC1 ZINC000052183062 519909374 /nfs/dbraw/zinc/90/93/74/519909374.db2.gz RCRZNOKXELJXRZ-UHFFFAOYSA-N 2 0 284.444 1.894 10 0 CDAERP CC[NH2+]CC1(C[N@H+](CC)C[C@@H]2CCCO2)CCOCC1 ZINC000052182532 519913088 /nfs/dbraw/zinc/91/30/88/519913088.db2.gz YKYQKKGHUCBUPA-HNNXBMFYSA-N 2 0 284.444 1.894 10 0 CDAERP CCCO[C@@H]1CCC[N@H+](CC2(C[NH3+])CCOCC2)C1 ZINC000052198035 520272061 /nfs/dbraw/zinc/27/20/61/520272061.db2.gz LTWOPWATDFQJHL-CQSZACIVSA-N 2 0 270.417 1.633 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001713243883 1178449332 /nfs/dbraw/zinc/44/93/32/1178449332.db2.gz BYNKGRHMTMBFIO-HNNXBMFYSA-N 2 0 283.460 1.957 10 0 CDAERP C[NH2+][C@H]1CCC[C@@H]1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062979541 522499432 /nfs/dbraw/zinc/49/94/32/522499432.db2.gz CXUYSUZGIJLBGW-KKUMJFAQSA-N 2 0 251.418 1.687 10 0 CDAERP CN(C(=O)CC[C@@H]1CC[NH2+]C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000584350127 517891671 /nfs/dbraw/zinc/89/16/71/517891671.db2.gz PTDJBETWZHMQLV-HABKJSAYSA-N 2 0 265.401 1.118 10 0 CDAERP CC(C)C1CCC(C[NH3+])(N2CC[NH+](C)CC2)CC1 ZINC000054556931 519560544 /nfs/dbraw/zinc/56/05/44/519560544.db2.gz KLPOFNJUDVGKCX-UHFFFAOYSA-N 2 0 253.434 1.778 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)C2(C)CC[NH2+]CC2)C1 ZINC000062841065 519688284 /nfs/dbraw/zinc/68/82/84/519688284.db2.gz AIZSRNLYLAHJBA-CYBMUJFWSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CC[C@@H](C[N@@H+]2CCCSCC2)O1 ZINC000052371155 519723979 /nfs/dbraw/zinc/72/39/79/519723979.db2.gz RPMGUSVGZUAHBU-KBPBESRZSA-N 2 0 272.458 1.971 10 0 CDAERP CC(C)[NH2+]C[C@@]1(CN2CCC[C@@H]2C[NH+](C)C)CCOC1 ZINC000061653483 519724415 /nfs/dbraw/zinc/72/44/15/519724415.db2.gz NGNSFARJPNMOGO-HZPDHXFCSA-N 2 0 283.460 1.417 10 0 CDAERP CC(C)CN1CC[NH+](C[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000070257574 519726447 /nfs/dbraw/zinc/72/64/47/519726447.db2.gz WMDWTIWUUAGCEK-HNNXBMFYSA-N 2 0 265.445 1.650 10 0 CDAERP CC(C)C[NH+]1CCN(Cc2cccc(C[NH3+])c2)CC1 ZINC000055077693 519726894 /nfs/dbraw/zinc/72/68/94/519726894.db2.gz BIHDFDCNDIYVKR-UHFFFAOYSA-N 2 0 261.413 1.919 10 0 CDAERP CC(C)C[NH+]1CCN([C@@H](c2ccccn2)[C@H](C)[NH3+])CC1 ZINC000055077249 519727538 /nfs/dbraw/zinc/72/75/38/519727538.db2.gz UVGJEEGPRJLZAQ-GOEBONIOSA-N 2 0 276.428 1.744 10 0 CDAERP CC(C)C[NH+]1CCN(c2ccc(C(N)=[NH2+])cc2F)CC1 ZINC000055079654 519728297 /nfs/dbraw/zinc/72/82/97/519728297.db2.gz WKCKBXUIPAXRBJ-UHFFFAOYSA-N 2 0 278.375 1.888 10 0 CDAERP CC(C)C[NH2+]CCCC[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061654842 519743136 /nfs/dbraw/zinc/74/31/36/519743136.db2.gz PVKCSFXZDWREFM-UHFFFAOYSA-N 3 0 284.492 1.191 10 0 CDAERP CC(C)C[NH2+]CCCc1cnn(CC[NH+](C)C)c1 ZINC000054680441 519744234 /nfs/dbraw/zinc/74/42/34/519744234.db2.gz IJASOTJOXJTDEV-UHFFFAOYSA-N 2 0 252.406 1.623 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CC[C@H](C[N@@H+]2CCOC(C)(C)C2)O1 ZINC000052481899 519746503 /nfs/dbraw/zinc/74/65/03/519746503.db2.gz RDPGLOYXQRAGEA-HUUCEWRRSA-N 2 0 284.444 1.890 10 0 CDAERP CCC1(C[NH2+][C@H](CCC[NH3+])COC)CCOCC1 ZINC000310903947 519843212 /nfs/dbraw/zinc/84/32/12/519843212.db2.gz BOKFYAFUOFJDHN-CYBMUJFWSA-N 2 0 258.406 1.537 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]([NH3+])CC[C@@H]2C)CC1 ZINC000055141539 519845867 /nfs/dbraw/zinc/84/58/67/519845867.db2.gz XHMSICKFIOSLRJ-GZBFAFLISA-N 2 0 281.444 1.741 10 0 CDAERP CCC[NH+]1CCC([C@@H](C)[NH2+]CCN(C)CCOC)CC1 ZINC000061376307 519847698 /nfs/dbraw/zinc/84/76/98/519847698.db2.gz MQYUMMMNYBCVFV-OAHLLOKOSA-N 2 0 285.476 1.665 10 0 CDAERP CCC[NH+]1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])[C@@H]2C)CC1 ZINC000055124558 519856473 /nfs/dbraw/zinc/85/64/73/519856473.db2.gz JCBKVUIKDMBGDD-MCIONIFRSA-N 2 0 267.417 1.304 10 0 CDAERP CCC[NH+]1CCN(C[C@@H]2CC[C@H](C[NH2+]C(C)C)O2)CC1 ZINC000052422029 519858562 /nfs/dbraw/zinc/85/85/62/519858562.db2.gz REAJWUVKMDRRCR-CVEARBPZSA-N 2 0 283.460 1.560 10 0 CDAERP CC[NH2+]CC1(C[N@H+](C)[C@@H]2CCSC2)CCOCC1 ZINC000052181482 519912589 /nfs/dbraw/zinc/91/25/89/519912589.db2.gz MLBMEVAJRRUYMU-CYBMUJFWSA-N 2 0 272.458 1.830 10 0 CDAERP CC[NH2+]CC1(C[N@@H+]2CCCC[C@@H]2CCO)CCOCC1 ZINC000052181047 519913163 /nfs/dbraw/zinc/91/31/63/519913163.db2.gz ZWTPZRQVYCAJSO-OAHLLOKOSA-N 2 0 284.444 1.630 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@@H](COCC[NH+](CC)CC)O1 ZINC000052672011 519924991 /nfs/dbraw/zinc/92/49/91/519924991.db2.gz FJWXPCWUJHFJBG-GJZGRUSLSA-N 2 0 272.433 1.892 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@@H+]2CCC[C@@H]2CN(C)C)O1 ZINC000061654508 519976954 /nfs/dbraw/zinc/97/69/54/519976954.db2.gz JDYIMROGAMTHFM-KFWWJZLASA-N 2 0 269.433 1.170 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@H+](CC)[C@@H](C)COC)O1 ZINC000052505025 519978335 /nfs/dbraw/zinc/97/83/35/519978335.db2.gz XGEWYPJYTMSUIC-MJBXVCDLSA-N 2 0 258.406 1.500 10 0 CDAERP CC[NH2+]Cc1cccc(N2CCC[C@H]2C[NH+](C)C)n1 ZINC000061654311 520004727 /nfs/dbraw/zinc/00/47/27/520004727.db2.gz JJLIVPVMFZGCKJ-AWEZNQCLSA-N 2 0 262.401 1.722 10 0 CDAERP CC[NH2+]Cc1ccoc1C[NH+]1CCC(OC)CC1 ZINC000052455186 520010898 /nfs/dbraw/zinc/01/08/98/520010898.db2.gz BJPWAIPWIXMEJO-UHFFFAOYSA-N 2 0 252.358 2.000 10 0 CDAERP CCC[NH2+][C@H]1CCOC[C@@H]1N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055066149 520096302 /nfs/dbraw/zinc/09/63/02/520096302.db2.gz CSBYNZAJCZOHNG-JYJNAYRXSA-N 2 0 283.460 1.560 10 0 CDAERP CC[NH2+][C@H](CN1CC[NH+]([C@H](C)CC)CC1)C1CC1 ZINC000069075019 520198658 /nfs/dbraw/zinc/19/86/58/520198658.db2.gz YOEKORCUHHEYCX-UKRRQHHQSA-N 2 0 253.434 1.791 10 0 CDAERP CCCCC[NH2+]C[C@H](C)N1CCN(CC[NH+](C)C)CC1 ZINC000061655329 520225102 /nfs/dbraw/zinc/22/51/02/520225102.db2.gz UFZSZQUJXWEPNR-INIZCTEOSA-N 2 0 284.492 1.334 10 0 CDAERP CC[NH2+][C@](C)(CCCC[N@@H+]1CCC[C@@H]1CN(C)C)C(N)=O ZINC000061653054 520227125 /nfs/dbraw/zinc/22/71/25/520227125.db2.gz OVTMMJZDWPXNDP-GDBMZVCRSA-N 2 0 298.475 1.036 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)C[C@@H](C)[NH2+]CC)CC1 ZINC000061270151 520569395 /nfs/dbraw/zinc/56/93/95/520569395.db2.gz JTMXUJYKAHPITM-CYBMUJFWSA-N 2 0 269.433 1.755 10 0 CDAERP CC[NH+](CC)CCCNC(=O)C[C@H]1CCC[C@H]([NH3+])C1 ZINC000055123426 520612419 /nfs/dbraw/zinc/61/24/19/520612419.db2.gz VWNZFOCIHSLUPW-KBPBESRZSA-N 2 0 269.433 1.742 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@H]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000055123433 520618887 /nfs/dbraw/zinc/61/88/87/520618887.db2.gz IWYIOOBMFRBAIQ-MJBXVCDLSA-N 2 0 269.433 1.598 10 0 CDAERP CCC[C@@H](C[NH3+])C(=O)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055071272 520704559 /nfs/dbraw/zinc/70/45/59/520704559.db2.gz YHZBRBHZZVKQFH-STQMWFEESA-N 2 0 255.406 1.304 10 0 CDAERP CC[NH+](CC)C[C@@H](O)CN[C@@H](C)C[NH+]1CCCCC1 ZINC000049501184 520722559 /nfs/dbraw/zinc/72/25/59/520722559.db2.gz ZFZWATABTDCMGE-GJZGRUSLSA-N 2 0 271.449 1.153 10 0 CDAERP CCCCOCCN1CC[NH+](CCCCC[NH3+])CC1 ZINC000049261687 520761446 /nfs/dbraw/zinc/76/14/46/520761446.db2.gz JMKVUKHUGJIBSC-UHFFFAOYSA-N 2 0 271.449 1.550 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000337333758 520855550 /nfs/dbraw/zinc/85/55/50/520855550.db2.gz ZKRWHJNEUMBKBO-RBSFLKMASA-N 2 0 296.459 1.643 10 0 CDAERP CC[NH+]1CCC(N(C)[C@H](C)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000053496720 521566499 /nfs/dbraw/zinc/56/64/99/521566499.db2.gz OJNBWMQVNGXOLC-ZBFHGGJFSA-N 2 0 283.460 1.560 10 0 CDAERP CCC(CC)[C@@H](CNC(=O)[C@@H]1CC[NH2+]C1)[NH+]1CCCC1 ZINC000236665231 521604836 /nfs/dbraw/zinc/60/48/36/521604836.db2.gz PYVKEAIPJFLYST-HUUCEWRRSA-N 2 0 281.444 1.613 10 0 CDAERP CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]CCN(C)CCOC)C1 ZINC000061376275 521626927 /nfs/dbraw/zinc/62/69/27/521626927.db2.gz QCCVGDZEDVOCHW-HUUCEWRRSA-N 2 0 271.449 1.275 10 0 CDAERP COCC[C@@](C)(C[NH3+])N1CC[NH+](C2CCCC2)CC1 ZINC000052060692 521894680 /nfs/dbraw/zinc/89/46/80/521894680.db2.gz DKMGPFFRRRLPKC-HNNXBMFYSA-N 2 0 269.433 1.301 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(Cc2[nH+]c(NN)ccc2Cl)CC1 ZINC000061639124 522126211 /nfs/dbraw/zinc/12/62/11/522126211.db2.gz ZYAYTAPLZOBXFK-LLVKDONJSA-N 2 0 297.834 1.937 10 0 CDAERP CC[C@H](CC[NH3+])N1CCC[N@H+](CCn2cccn2)CC1 ZINC000049313916 522128106 /nfs/dbraw/zinc/12/81/06/522128106.db2.gz LZHUIUFZWYHYEJ-OAHLLOKOSA-N 2 0 279.432 1.018 10 0 CDAERP COC[C@@H](C)NC(=O)C[N@H+](CCC[NH3+])C1CCCCC1 ZINC000049290515 522227480 /nfs/dbraw/zinc/22/74/80/522227480.db2.gz KJGQTHKKGUTXGY-CYBMUJFWSA-N 2 0 285.432 1.121 10 0 CDAERP CC[C@@H]([NH3+])Cc1cc(C)nc(CC[NH+](CC)CC)n1 ZINC000054835833 522643467 /nfs/dbraw/zinc/64/34/67/522643467.db2.gz WYCJKKJGEDMRMW-CYBMUJFWSA-N 2 0 264.417 1.949 10 0 CDAERP C[N@H+](CCC[C@@H]1CCC[NH2+]1)CC(=O)N1CCCC1 ZINC000052764436 522787247 /nfs/dbraw/zinc/78/72/47/522787247.db2.gz PMDBBCLJHZQACG-ZDUSSCGKSA-N 2 0 253.390 1.073 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1CC[C@@H]([NH3+])C1)Cc1ccccc1 ZINC000246750143 522858177 /nfs/dbraw/zinc/85/81/77/522858177.db2.gz ZSZBJDJSOYOYIF-LSDHHAIUSA-N 2 0 275.396 1.362 10 0 CDAERP COCC1CC[NH+](CCC[C@](C)(CO)[NH2+]C2CC2)CC1 ZINC000070335652 522933427 /nfs/dbraw/zinc/93/34/27/522933427.db2.gz JMYYACCQIQIHAP-MRXNPFEDSA-N 2 0 284.444 1.628 10 0 CDAERP COCCC[N@H+](CCOC)[C@H](C)CC[NH2+]C(C)C ZINC000052543327 523259203 /nfs/dbraw/zinc/25/92/03/523259203.db2.gz ZMYAEXNMKSSGAY-CQSZACIVSA-N 2 0 260.422 1.748 10 0 CDAERP C[N@@H+](Cc1ccnc(C(N)=S)c1)CC1CC[NH+](C)CC1 ZINC000068753003 523453492 /nfs/dbraw/zinc/45/34/92/523453492.db2.gz RZBSRODZRXIWAT-UHFFFAOYSA-N 2 0 292.452 1.489 10 0 CDAERP CC[C@]1(C(=O)N2CCC(C[NH+](C)C)CC2)CCC[NH2+]C1 ZINC000062857786 523534025 /nfs/dbraw/zinc/53/40/25/523534025.db2.gz ZDHCTEKHIMKBFW-INIZCTEOSA-N 2 0 281.444 1.566 10 0 CDAERP COCC[N@H+](C)CCn1c(N)[nH+]c2cc(F)ccc21 ZINC000061379984 523620512 /nfs/dbraw/zinc/62/05/12/523620512.db2.gz JEZPUZKUFUMXJE-UHFFFAOYSA-N 2 0 266.320 1.336 10 0 CDAERP CC[C@H](C)[NH+]1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000055066874 523954622 /nfs/dbraw/zinc/95/46/22/523954622.db2.gz LEWOOFSGJUSXRY-LSDHHAIUSA-N 2 0 253.434 1.792 10 0 CDAERP CC[C@H](C)[NH+]1CCN(CC[NH2+]CCCOC(C)C)CC1 ZINC000055075110 523954653 /nfs/dbraw/zinc/95/46/53/523954653.db2.gz UZLWAWRQXLHWDR-INIZCTEOSA-N 2 0 285.476 1.807 10 0 CDAERP CC[C@H](C)[NH+]1CCN([C@H](C[NH3+])Cc2ccccc2)CC1 ZINC000055064581 523959013 /nfs/dbraw/zinc/95/90/13/523959013.db2.gz CHLVTYLTYGMNKU-RDJZCZTQSA-N 2 0 275.440 1.973 10 0 CDAERP C[N@@H+]1CC[C@@H](CNC(=O)CCC2CCC([NH3+])CC2)C1 ZINC000055130430 523959785 /nfs/dbraw/zinc/95/97/85/523959785.db2.gz DJRMGGJNARPUQQ-MOKVOYLWSA-N 2 0 267.417 1.352 10 0 CDAERP C[C@@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)[C@H](C)[NH3+] ZINC000156668846 524096935 /nfs/dbraw/zinc/09/69/35/524096935.db2.gz HWXROISDJRHNFP-OLZOCXBDSA-N 2 0 267.417 1.304 10 0 CDAERP C[C@@H](C(=O)N1CC[NH2+]CC1)[NH+]1CCC2(CCCCC2)CC1 ZINC000061820088 524127681 /nfs/dbraw/zinc/12/76/81/524127681.db2.gz UFTVDFNSFQODMC-HNNXBMFYSA-N 2 0 293.455 1.853 10 0 CDAERP C[C@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000055132648 524144187 /nfs/dbraw/zinc/14/41/87/524144187.db2.gz KCLYWZDBWFZAGN-NUEKZKHPSA-N 2 0 293.455 1.837 10 0 CDAERP C[C@H]1CCC[C@H](C(=O)N2CC[NH+](C3CCCC3)CC2)[C@@H]1[NH3+] ZINC000055132622 524176049 /nfs/dbraw/zinc/17/60/49/524176049.db2.gz IYHLCHTVZSGOEM-CWRNSKLLSA-N 2 0 293.455 1.837 10 0 CDAERP C[C@H](C[NH+]1CCCC1)NC(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050951146 524314889 /nfs/dbraw/zinc/31/48/89/524314889.db2.gz UQVFGZGTSBLIAH-KGLIPLIRSA-N 2 0 267.417 1.509 10 0 CDAERP C[C@@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC000055141097 524392254 /nfs/dbraw/zinc/39/22/54/524392254.db2.gz UIPTWZIOBLXUMG-HZSPNIEDSA-N 2 0 281.444 1.693 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)C[NH+]1CCCCC1 ZINC000235492352 524450623 /nfs/dbraw/zinc/45/06/23/524450623.db2.gz LJYUKNLBJMYKPT-ILXRZTDVSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@@H]1CC[C@@H](C(=O)NCC2CC[NH+](C)CC2)C[C@@H]1[NH3+] ZINC000055140161 524556676 /nfs/dbraw/zinc/55/66/76/524556676.db2.gz WVLXAWMHSXJFGC-BNOWGMLFSA-N 2 0 267.417 1.208 10 0 CDAERP C[C@@H]1CC[C@H](C(=O)N2CC[NH+](C3CCCC3)CC2)C[C@@H]1[NH3+] ZINC000055132577 524630374 /nfs/dbraw/zinc/63/03/74/524630374.db2.gz ODEPPUZQZKREOG-YCPHGPKFSA-N 2 0 293.455 1.837 10 0 CDAERP Cc1cc(CN2CCC[C@@H]2C[NH+](C)C)oc1C[NH3+] ZINC000061654600 524685162 /nfs/dbraw/zinc/68/51/62/524685162.db2.gz JXQDJDABWCYJQE-GFCCVEGCSA-N 2 0 251.374 1.573 10 0 CDAERP C[C@@H]1C[C@H]([NH3+])CC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC000055138678 525419425 /nfs/dbraw/zinc/41/94/25/525419425.db2.gz PYOMFYYEQOEXEF-MQYQWHSLSA-N 2 0 267.417 1.350 10 0 CDAERP C[C@H](C(=O)NCCC[N@@H+]1CCCC[C@@H]1C)C1C[NH2+]C1 ZINC000163822998 526046724 /nfs/dbraw/zinc/04/67/24/526046724.db2.gz OHZOQRKCJIBPEG-STQMWFEESA-N 2 0 267.417 1.223 10 0 CDAERP c1cn(CCC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cn1 ZINC000049328851 526531976 /nfs/dbraw/zinc/53/19/76/526531976.db2.gz WIJZKSFFDIELLZ-GJZGRUSLSA-N 2 0 262.401 1.737 10 0 CDAERP c1cnc(N2CC[NH+](CCC[C@@H]3CCCC[NH2+]3)CC2)nc1 ZINC000050952368 526542118 /nfs/dbraw/zinc/54/21/18/526542118.db2.gz WTOQAIHGOJMGBZ-HNNXBMFYSA-N 2 0 289.427 1.521 10 0 CDAERP NC(=O)CC1CC[NH+](CCC[C@H]2CCC[NH2+]2)CC1 ZINC000052764502 526862287 /nfs/dbraw/zinc/86/22/87/526862287.db2.gz TWGXWDTVJSUTFU-CYBMUJFWSA-N 2 0 253.390 1.106 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@H](C(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000055161019 527215829 /nfs/dbraw/zinc/21/58/29/527215829.db2.gz CEFNCGCCKMUJFH-CABCVRRESA-N 2 0 293.455 1.838 10 0 CDAERP [NH3+]C[C@H]1CC[C@H](C[N@@H+]2CCc3sccc3C2)O1 ZINC000052416548 527240476 /nfs/dbraw/zinc/24/04/76/527240476.db2.gz QIINFJQPYDCVIS-VXGBXAGGSA-N 2 0 252.383 1.613 10 0 CDAERP [NH3+][C@@H]1COc2cc(OCCC[NH+]3CCCC3)ccc21 ZINC000062803358 527376708 /nfs/dbraw/zinc/37/67/08/527376708.db2.gz WLLMPSGQBRFZBN-CQSZACIVSA-N 2 0 262.353 1.944 10 0 CDAERP CC(C)[NH+](CCCNC(=O)NC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC000174205839 528882897 /nfs/dbraw/zinc/88/28/97/528882897.db2.gz URGWFGLUNBWRIP-HNNXBMFYSA-N 2 0 298.475 1.889 10 0 CDAERP CCCC[C@H](C[NH3+])NC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418453178 535030191 /nfs/dbraw/zinc/03/01/91/535030191.db2.gz OXEKZSSKWQTJLN-KGLIPLIRSA-N 2 0 278.400 1.503 10 0 CDAERP CC[NH+]1CCC(NC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000236855877 535472214 /nfs/dbraw/zinc/47/22/14/535472214.db2.gz OSQHVZJIMQYTBU-GJZGRUSLSA-N 2 0 281.444 1.885 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262426494 535486066 /nfs/dbraw/zinc/48/60/66/535486066.db2.gz VUOPRPNHMBGJIA-MELADBBJSA-N 2 0 267.417 1.365 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2C[NH+](C(C)C)C[C@H]2C)C1 ZINC000247000359 535577058 /nfs/dbraw/zinc/57/70/58/535577058.db2.gz GVDSSQFDEPFNQK-QLFBSQMISA-N 2 0 296.459 1.499 10 0 CDAERP CCCn1cc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cn1 ZINC000414801888 535613710 /nfs/dbraw/zinc/61/37/10/535613710.db2.gz MIYHFPVVNVBMED-ZIAGYGMSSA-N 2 0 250.390 1.900 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)[C@H]2C[C@H]2C)CC1 ZINC000414066084 535740782 /nfs/dbraw/zinc/74/07/82/535740782.db2.gz PDQZIZFNSMAGMG-TUVASFSCSA-N 2 0 253.434 1.647 10 0 CDAERP CN(C(=O)NCCC1=CC[NH2+]CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000418608989 536026089 /nfs/dbraw/zinc/02/60/89/536026089.db2.gz ZSYRZYPVUONAIM-HNNXBMFYSA-N 2 0 292.427 1.174 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC000729700422 574821372 /nfs/dbraw/zinc/82/13/72/574821372.db2.gz SHUYPZFIVHZOBB-OAHLLOKOSA-N 2 0 281.444 1.853 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=S)NCCC[NH+](C)C)CC[N@@H+]1C ZINC000741487664 576561374 /nfs/dbraw/zinc/56/13/74/576561374.db2.gz KKWLXPHXNPCMHP-CHWSQXEVSA-N 2 0 286.489 1.227 10 0 CDAERP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000765000168 575973617 /nfs/dbraw/zinc/97/36/17/575973617.db2.gz IMSFDWSVADIEOT-SJORKVTESA-N 2 0 289.423 1.403 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001689802848 1175262249 /nfs/dbraw/zinc/26/22/49/1175262249.db2.gz JWOXZDVRCSWGNL-RRFJBIMHSA-N 2 0 283.460 1.811 10 0 CDAERP CNC(=O)c1cccc(CC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925511812 617416299 /nfs/dbraw/zinc/41/62/99/617416299.db2.gz UXAFQWFHRXWXQV-LSDHHAIUSA-N 2 0 287.407 1.448 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CO[C@@H](C)[C@@H]1C ZINC000926685826 617447220 /nfs/dbraw/zinc/44/72/20/617447220.db2.gz LZPKTKYGRZAHTQ-AJNGGQMLSA-N 2 0 271.449 1.271 10 0 CDAERP CC1(C)[C@@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925538377 617476492 /nfs/dbraw/zinc/47/64/92/617476492.db2.gz URJAQRKGCWBHID-UKMLZYKCSA-N 3 0 277.456 1.837 10 0 CDAERP C(C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)CO[C@H]1CCOC1 ZINC000925553258 617501701 /nfs/dbraw/zinc/50/17/01/617501701.db2.gz PYRVXRLWKDIJOM-GVDBMIGSSA-N 2 0 296.455 1.940 10 0 CDAERP CN(C)C(=O)CCC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925585196 617533098 /nfs/dbraw/zinc/53/30/98/617533098.db2.gz FXQRMTGDWPPYIY-XBFCOCLRSA-N 2 0 267.417 1.221 10 0 CDAERP COCC[C@](C)(O)C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925611354 617555743 /nfs/dbraw/zinc/55/57/43/617555743.db2.gz LOJUNSXGBRRINT-BZPMIXESSA-N 2 0 258.406 1.270 10 0 CDAERP OC[C@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925616091 617561185 /nfs/dbraw/zinc/56/11/85/617561185.db2.gz QKQYCJXXCRGJCI-MGPQQGTHSA-N 2 0 252.402 1.802 10 0 CDAERP C[C@@H]1CC[C@H](C(N)=O)[C@H](C)[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000930910631 617564908 /nfs/dbraw/zinc/56/49/08/617564908.db2.gz ZNYMIXMEOOWMCX-RFGFWPKPSA-N 2 0 267.417 1.445 10 0 CDAERP CC1(C)[C@@H]([NH2+]CCNc2ccccn2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925624597 617571392 /nfs/dbraw/zinc/57/13/92/617571392.db2.gz YJEKOYKJNZIYAL-SNPRPXQTSA-N 2 0 274.412 1.860 10 0 CDAERP CC(C)[C@H](C)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925856488 617895926 /nfs/dbraw/zinc/89/59/26/617895926.db2.gz QZWKLSZJYRRMMS-RYUDHWBXSA-N 2 0 254.374 1.306 10 0 CDAERP C1C(N[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1[NH+]1CCCCC1 ZINC000925663120 617608775 /nfs/dbraw/zinc/60/87/75/617608775.db2.gz PMWIUSXCEKKLDA-JTDAUAKSSA-N 2 0 275.440 1.589 10 0 CDAERP COC(=O)c1cc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)n(C)c1C ZINC000925770621 617633515 /nfs/dbraw/zinc/63/35/15/617633515.db2.gz XAIOXKSBYNKSRD-VXGBXAGGSA-N 2 0 279.384 1.480 10 0 CDAERP C[N@H+](CC[C@@H]1COC(C)(C)O1)C[C@H]1CCC[NH+](C)C1 ZINC000851782322 617647161 /nfs/dbraw/zinc/64/71/61/617647161.db2.gz QMIDHDHGWKVZMG-UONOGXRCSA-N 2 0 270.417 1.802 10 0 CDAERP COC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCOC1 ZINC000925776903 617671518 /nfs/dbraw/zinc/67/15/18/617671518.db2.gz ACVGOPOCFOIBHW-YYJFMHSASA-N 2 0 268.401 1.301 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000925803083 617738467 /nfs/dbraw/zinc/73/84/67/617738467.db2.gz VHBNHVSFBRENED-WCDYYPSBSA-N 2 0 252.402 1.765 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+]CCN2CCC([NH3+])CC2)C12CCCC2 ZINC000925813614 617760674 /nfs/dbraw/zinc/76/06/74/617760674.db2.gz XMKFLLTVNJOWFL-JKSUJKDBSA-N 2 0 295.471 1.737 10 0 CDAERP COC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)C1CCOCC1 ZINC000925706398 617791558 /nfs/dbraw/zinc/79/15/58/617791558.db2.gz MJBCFDFFCXDNMY-ZNMIVQPWSA-N 2 0 284.444 1.924 10 0 CDAERP COCC[C@@H]1CCC[C@@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925845722 617880173 /nfs/dbraw/zinc/88/01/73/617880173.db2.gz IEHHODWTTGPNAR-IRXDYDNUSA-N 2 0 297.487 1.857 10 0 CDAERP Cc1n[nH]c(CN(CCC[NH+](C)C)CCC[NH+](C)C)c1C ZINC000894761789 619050601 /nfs/dbraw/zinc/05/06/01/619050601.db2.gz RRNKFZUNJIVOFO-UHFFFAOYSA-N 2 0 295.475 1.732 10 0 CDAERP C([NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000902793083 625407480 /nfs/dbraw/zinc/40/74/80/625407480.db2.gz FKHASMIHBYLLRN-BEPHGODMSA-N 2 0 292.423 1.253 10 0 CDAERP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902796014 625415272 /nfs/dbraw/zinc/41/52/72/625415272.db2.gz KZIHIIBPVBEDQF-NQLMQOPMSA-N 2 0 293.455 1.025 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)N[C@@H]1CCCN(CCF)C1 ZINC000898503625 621779814 /nfs/dbraw/zinc/77/98/14/621779814.db2.gz LOPPEHUJRHOACT-OLZOCXBDSA-N 2 0 285.407 1.409 10 0 CDAERP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CC([NH+]2CCCC2)C1 ZINC000898608499 621817157 /nfs/dbraw/zinc/81/71/57/621817157.db2.gz WHGCTHFRKSOMAP-INIZCTEOSA-N 2 0 291.439 1.700 10 0 CDAERP C[C@@H](NC(=[NH2+])NCC[N@@H+]1CCCC[C@@H]1C)C1CC1 ZINC000899266929 622128308 /nfs/dbraw/zinc/12/83/08/622128308.db2.gz ZFWQEWLSKMHHJO-NWDGAFQWSA-N 2 0 252.406 1.773 10 0 CDAERP CCN1CC[NH+](C[C@H](C)CNC(=[NH2+])N[C@H](C)C2CC2)CC1 ZINC000899264281 622128377 /nfs/dbraw/zinc/12/83/77/622128377.db2.gz AEEFKQFKKREGFE-ZIAGYGMSSA-N 2 0 295.475 1.172 10 0 CDAERP OC1CC[NH+](CCCN[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000924757832 622293897 /nfs/dbraw/zinc/29/38/97/622293897.db2.gz WBBMORDLEUVRMS-DLBZAZTESA-N 2 0 295.471 1.440 10 0 CDAERP c1c([C@H]2CCC[NH2+]C2)nnn1C[C@H]1CCCC[NH2+]C1 ZINC000899742320 622404338 /nfs/dbraw/zinc/40/43/38/622404338.db2.gz VUGPILDNNVGORQ-STQMWFEESA-N 2 0 263.389 1.135 10 0 CDAERP CC(C)C[C@H]([NH2+]CCOCC[NH+](C)C)C1CCOCC1 ZINC000902970242 625691269 /nfs/dbraw/zinc/69/12/69/625691269.db2.gz KYZRNBSJJOYCEU-INIZCTEOSA-N 2 0 286.460 1.996 10 0 CDAERP CC[N@@H+]1C[C@@H](C)N(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000901271708 624090343 /nfs/dbraw/zinc/09/03/43/624090343.db2.gz OADMMWSPMRWMPB-QWHCGFSZSA-N 2 0 265.401 1.023 10 0 CDAERP NC(=O)c1ccc(C[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)C2CC2)cc1 ZINC000903431538 625989965 /nfs/dbraw/zinc/98/99/65/625989965.db2.gz ZKOUVGJCKGXVMW-DZGCQCFKSA-N 2 0 287.407 1.877 10 0 CDAERP CC(C)C(=O)NC1CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903431463 625990006 /nfs/dbraw/zinc/99/00/06/625990006.db2.gz VJMNKEBRHQOOHQ-OLZOCXBDSA-N 2 0 267.417 1.079 10 0 CDAERP NC(=O)C[N@@H+](Cc1ccccc1)C[C@H]1CC[C@@H]([NH3+])C1 ZINC000903438280 625991716 /nfs/dbraw/zinc/99/17/16/625991716.db2.gz SXQOQFBMUCZFEX-UONOGXRCSA-N 2 0 261.369 1.101 10 0 CDAERP C[C@@]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)(C(N)=O)c1ccccc1 ZINC000903459517 625994771 /nfs/dbraw/zinc/99/47/71/625994771.db2.gz UXOXNCAADDFVJA-ZLDLUXBVSA-N 2 0 261.369 1.104 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000903461072 625995854 /nfs/dbraw/zinc/99/58/54/625995854.db2.gz OJZGVTURDIQHOI-LYYZXLFJSA-N 3 0 281.444 1.060 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000903463897 625996883 /nfs/dbraw/zinc/99/68/83/625996883.db2.gz RFERXZDMYCAECQ-OJLVUWQFSA-N 2 0 276.428 1.576 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)C1 ZINC000903454908 626001902 /nfs/dbraw/zinc/00/19/02/626001902.db2.gz NMYKBUBXGGNHQH-BFHYXJOUSA-N 2 0 289.427 1.920 10 0 CDAERP CC(C)[NH+]1CCN(CCCN[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000903473022 626004372 /nfs/dbraw/zinc/00/43/72/626004372.db2.gz YVZUMBJKWJVJQQ-MRXNPFEDSA-N 2 0 294.487 1.277 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1nc(C)c(C)o1)C2 ZINC000903492356 626010888 /nfs/dbraw/zinc/01/08/88/626010888.db2.gz BECAXNSVAXEVSL-ZOWXZIJZSA-N 2 0 293.367 1.004 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCCC1CC1)C2 ZINC000903494366 626011274 /nfs/dbraw/zinc/01/12/74/626011274.db2.gz FGLSSQKLXTZXEK-GUTXKFCHSA-N 2 0 266.385 1.389 10 0 CDAERP C([C@H]1CCCC[NH2+]C1)N1CC[NH2+]CCC12CCOCC2 ZINC000903819117 626102486 /nfs/dbraw/zinc/10/24/86/626102486.db2.gz CBPBFSXMSHZAND-HNNXBMFYSA-N 2 0 281.444 1.221 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[NH+]2CCCCCC2)cnn1C ZINC000903872514 626126909 /nfs/dbraw/zinc/12/69/09/626126909.db2.gz FZJZGOPPOXWAII-AWEZNQCLSA-N 2 0 264.417 1.722 10 0 CDAERP [NH3+][C@H](CC(F)F)CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000903874150 626128102 /nfs/dbraw/zinc/12/81/02/626128102.db2.gz TXBHVCSPSKZTHN-TUAOUCFPSA-N 2 0 261.360 1.433 10 0 CDAERP C[N@H+](C[C@H]1CCC[C@@H]1O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903898089 626136832 /nfs/dbraw/zinc/13/68/32/626136832.db2.gz ITFQHFIVGNWSSS-IWNKAIHXSA-N 2 0 252.402 1.610 10 0 CDAERP [NH3+][C@H](CC(F)F)CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000903920619 626146983 /nfs/dbraw/zinc/14/69/83/626146983.db2.gz WLIRHAJVNLUAAR-UTUOFQBUSA-N 2 0 261.360 1.433 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])CNc2ccc(C[NH3+])cc2)cnn1C ZINC000903920693 626147007 /nfs/dbraw/zinc/14/70/07/626147007.db2.gz WPHHTLZJTQKJAT-AWEZNQCLSA-N 2 0 287.411 1.417 10 0 CDAERP Cc1cc(C)n2c(C[NH2+]CCC(C)(C)[NH3+])cnc2n1 ZINC000903939175 626147441 /nfs/dbraw/zinc/14/74/41/626147441.db2.gz SVDABYZPUQFGGC-UHFFFAOYSA-N 2 0 261.373 1.563 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[NH2+]C[C@]2(C)CCCO2)cnn1C ZINC000903924842 626148456 /nfs/dbraw/zinc/14/84/56/626148456.db2.gz IMCLAZPGMQOKEK-HIFRSBDPSA-N 2 0 280.416 1.005 10 0 CDAERP CCNC(=O)C(C)(C)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903929902 626150437 /nfs/dbraw/zinc/15/04/37/626150437.db2.gz NXPWWCFAKULRGF-YOGCLGLASA-N 2 0 253.390 1.021 10 0 CDAERP c1nnn([C@@H]2CCC[NH2+]C2)c1C[NH2+][C@@]12C[C@@H]1CCCC2 ZINC000903936080 626154699 /nfs/dbraw/zinc/15/46/99/626154699.db2.gz YBDTVZHXVAFLJY-GUTXKFCHSA-N 2 0 275.400 1.625 10 0 CDAERP COC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCCOC1 ZINC000903959175 626158899 /nfs/dbraw/zinc/15/88/99/626158899.db2.gz CQRAZOGDYWMBIS-CWVYHPPDSA-N 2 0 282.428 1.406 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000903963932 626170941 /nfs/dbraw/zinc/17/09/41/626170941.db2.gz JWJAVIMHPQBYGE-DTZQCDIJSA-N 2 0 259.397 1.677 10 0 CDAERP CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](C[C@@H]3CC[NH2+][C@@H](C)C3)C[C@@H]21 ZINC000903985917 626174025 /nfs/dbraw/zinc/17/40/25/626174025.db2.gz CUDGXCHSWBPYKY-VYDRJRHOSA-N 2 0 280.412 1.506 10 0 CDAERP C[C@@]1(C2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)COC(=O)N1 ZINC000903985921 626174049 /nfs/dbraw/zinc/17/40/49/626174049.db2.gz CUFKXTXABLVHES-GJZGRUSLSA-N 2 0 281.400 1.197 10 0 CDAERP C[C@@H]1C[C@H](C[NH+]2CCC([C@]3(C)COC(=O)N3)CC2)CC[NH2+]1 ZINC000903986520 626174257 /nfs/dbraw/zinc/17/42/57/626174257.db2.gz LKYWYDAXZDZMIF-IOASZLSFSA-N 2 0 295.427 1.585 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[NH2+]C(C)(C)/C=C\Cl)cnn1C ZINC000903988248 626175397 /nfs/dbraw/zinc/17/53/97/626175397.db2.gz PNHKRAUEZUARFB-FOQNGQEVSA-N 2 0 284.835 1.967 10 0 CDAERP FC1(F)CC[NH2+]C[C@H]1c1nc(CC2CC[NH2+]CC2)no1 ZINC000905315100 626744822 /nfs/dbraw/zinc/74/48/22/626744822.db2.gz RSOOECAMBAEAEF-JTQLQIEISA-N 2 0 286.326 1.324 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC([NH+](C)C)C1 ZINC000908009236 627970075 /nfs/dbraw/zinc/97/00/75/627970075.db2.gz BTZRTOXHGFVRJR-WXRRBKDZSA-N 2 0 253.390 1.070 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)NC(=O)C[C@@]1(O)CCC[NH+](C)C1 ZINC000908308145 628136411 /nfs/dbraw/zinc/13/64/11/628136411.db2.gz VHULSWWQNVVBLL-HOCLYGCPSA-N 2 0 299.459 1.070 10 0 CDAERP C[N@@H+]1CCN(C(=O)C23CC[NH+](CC2)C3)CC12CCCCC2 ZINC000908575606 628281567 /nfs/dbraw/zinc/28/15/67/628281567.db2.gz QBQUBAQHRYSKJI-UHFFFAOYSA-N 2 0 291.439 1.559 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@@]1(C)C[NH+]2CCC1CC2 ZINC000912379261 629951927 /nfs/dbraw/zinc/95/19/27/629951927.db2.gz MXERDWMRBHWTBA-IOASZLSFSA-N 2 0 279.428 1.460 10 0 CDAERP C[NH+](C)CCCC[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000924852192 630311370 /nfs/dbraw/zinc/31/13/70/630311370.db2.gz FFGUDGMATAHDJN-HUUCEWRRSA-N 2 0 253.434 1.935 10 0 CDAERP C[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000914074207 631008338 /nfs/dbraw/zinc/00/83/38/631008338.db2.gz AGBDUIBEBMPWFP-KBXIAJHMSA-N 2 0 296.459 1.499 10 0 CDAERP C[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C)C[NH+]1CCCCC1 ZINC000914278116 631302989 /nfs/dbraw/zinc/30/29/89/631302989.db2.gz RPEJWAKFWSBXJQ-QLFBSQMISA-N 2 0 296.459 1.500 10 0 CDAERP COCCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001700184052 1158930682 /nfs/dbraw/zinc/93/06/82/1158930682.db2.gz IMVSEOILAWMWFO-OAHLLOKOSA-N 2 0 297.443 1.089 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001691398697 1159051266 /nfs/dbraw/zinc/05/12/66/1159051266.db2.gz HRNIMTFGIJWDTN-KGLIPLIRSA-N 2 0 269.433 1.517 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001670545339 1158634757 /nfs/dbraw/zinc/63/47/57/1158634757.db2.gz UUXLMUJWPXJXKB-GDBMZVCRSA-N 2 0 293.455 1.779 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCF ZINC001671312362 1159178692 /nfs/dbraw/zinc/17/86/92/1159178692.db2.gz DIINMBNGYKQQME-QWHCGFSZSA-N 2 0 271.380 1.021 10 0 CDAERP CN(CC[NH2+]C[C@@H]1CC(C)(C)CO1)C(=O)CCC[NH+](C)C ZINC001731948438 1159395882 /nfs/dbraw/zinc/39/58/82/1159395882.db2.gz SKZSBVLPVLBZMC-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C[NH2+]CCC1CC1 ZINC001732366268 1159786569 /nfs/dbraw/zinc/78/65/69/1159786569.db2.gz NCIUOQGZVKQABI-UKRRQHHQSA-N 2 0 281.444 1.470 10 0 CDAERP CC[NH2+][C@@H](C)C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001691693010 1161570724 /nfs/dbraw/zinc/57/07/24/1161570724.db2.gz XKUZBQRSEJJWTF-ZDUSSCGKSA-N 2 0 269.433 1.563 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001410185900 1161589688 /nfs/dbraw/zinc/58/96/88/1161589688.db2.gz QDVGFHWZHKAYJH-AAVRWANBSA-N 2 0 285.407 1.313 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)C1([NH+](C)C)CCCC1 ZINC001625702841 1165922642 /nfs/dbraw/zinc/92/26/42/1165922642.db2.gz WOCPRYASBGXSRW-CHWSQXEVSA-N 2 0 267.417 1.460 10 0 CDAERP CC(C)(C)[NH+]1CCC([NH2+]CCOCCCO)CC1 ZINC000353979499 1167335664 /nfs/dbraw/zinc/33/56/64/1167335664.db2.gz RBLYDUAYCPHILL-UHFFFAOYSA-N 2 0 258.406 1.238 10 0 CDAERP COCCCC[N@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC001646247257 1167723621 /nfs/dbraw/zinc/72/36/21/1167723621.db2.gz NYDGSMZOFRTIGC-UHFFFAOYSA-N 2 0 299.459 1.334 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CCC1CC1 ZINC001568873549 1169529496 /nfs/dbraw/zinc/52/94/96/1169529496.db2.gz OMALRUOXCRKIGA-ABCZVMIZSA-N 2 0 279.428 1.533 10 0 CDAERP CC[C@@H](F)C[NH2+]C/C=C\CNC(=O)C[NH+]1CCCC1 ZINC001568963962 1169564005 /nfs/dbraw/zinc/56/40/05/1169564005.db2.gz LQQHNJZLESOGPQ-DHCBQETCSA-N 2 0 271.380 1.092 10 0 CDAERP CCCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001570653573 1170223689 /nfs/dbraw/zinc/22/36/89/1170223689.db2.gz SVBATJPEQVGCPJ-QWHCGFSZSA-N 2 0 257.422 1.610 10 0 CDAERP CN(CC(C)(C)C[NH2+]CC1CC1)C(=O)CC[NH+](C)C ZINC001570683225 1170231145 /nfs/dbraw/zinc/23/11/45/1170231145.db2.gz SEXHGBXBPNDFGR-UHFFFAOYSA-N 2 0 269.433 1.422 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001656237509 1171798762 /nfs/dbraw/zinc/79/87/62/1171798762.db2.gz BKUOJOYNSMOVBZ-KKUMJFAQSA-N 2 0 281.444 1.613 10 0 CDAERP CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001657076472 1171925713 /nfs/dbraw/zinc/92/57/13/1171925713.db2.gz ZOKAZQYTYLNEHA-ZDUSSCGKSA-N 2 0 255.406 1.271 10 0 CDAERP CC[N@@H+](CC=C(C)C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001663443063 1172695710 /nfs/dbraw/zinc/69/57/10/1172695710.db2.gz MFUZATONTQHLPR-UHFFFAOYSA-N 2 0 279.428 1.487 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CCC([NH+]2CCC2)CC1 ZINC001585205148 1172884051 /nfs/dbraw/zinc/88/40/51/1172884051.db2.gz KSKOKXYKJYUCPE-CYBMUJFWSA-N 2 0 267.417 1.271 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CCCF ZINC001668888101 1173477992 /nfs/dbraw/zinc/47/79/92/1173477992.db2.gz UCCDVCHKUMEFCI-ITDFMYJTSA-N 2 0 271.380 1.092 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@H](CNC(=O)CC[NH+](C)C)CC1 ZINC001672377497 1173768994 /nfs/dbraw/zinc/76/89/94/1173768994.db2.gz WQQWYFQGCVYIEI-HDJSIYSDSA-N 2 0 269.433 1.470 10 0 CDAERP CCCCC[N@H+]1CC=C(CNC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001677632679 1174378405 /nfs/dbraw/zinc/37/84/05/1174378405.db2.gz SCVAKTXJKIWSJH-MRXNPFEDSA-N 2 0 293.455 1.877 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCCC3CCC3)C2)C1 ZINC001690366925 1175451811 /nfs/dbraw/zinc/45/18/11/1175451811.db2.gz VAGXEVNXXJWMTG-OAGGEKHMSA-N 2 0 293.455 1.755 10 0 CDAERP C[C@H]1CCCC[C@]1(C[NH2+]CCF)NC(=O)CC[NH+](C)C ZINC001698660795 1175888819 /nfs/dbraw/zinc/88/88/19/1175888819.db2.gz HHDFEBDGXNTVOO-DZGCQCFKSA-N 2 0 287.423 1.562 10 0 CDAERP CCC[NH2+]CC[C@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001698683171 1175893647 /nfs/dbraw/zinc/89/36/47/1175893647.db2.gz PFYGERQYNKCXOJ-OAHLLOKOSA-N 2 0 283.460 1.957 10 0 CDAERP CC(C)[NH2+]C[C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001698749830 1175917689 /nfs/dbraw/zinc/91/76/89/1175917689.db2.gz ARYUPPCOFKPPEF-UONOGXRCSA-N 2 0 269.433 1.611 10 0 CDAERP CC[NH2+]C[C@H](CC(C)C)NC(=O)C[NH+]1CCCC1 ZINC001698880678 1175976500 /nfs/dbraw/zinc/97/65/00/1175976500.db2.gz VYQJHATUQCDYIK-ZDUSSCGKSA-N 2 0 255.406 1.223 10 0 CDAERP CC(C)C[N@H+](C)CCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001699001416 1176030914 /nfs/dbraw/zinc/03/09/14/1176030914.db2.gz UKVVEHVAQRSWSL-AWEZNQCLSA-N 2 0 269.433 1.374 10 0 CDAERP C[C@@H](CC[NH2+]CC1CCC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001699088995 1176085462 /nfs/dbraw/zinc/08/54/62/1176085462.db2.gz VCWTYYOCYDYIRM-JSGCOSHPSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]CCC1CC1 ZINC001699387614 1176345946 /nfs/dbraw/zinc/34/59/46/1176345946.db2.gz CTLVYFVYPGVNTC-GFCCVEGCSA-N 2 0 255.406 1.221 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]C(C)C ZINC001699387777 1176346458 /nfs/dbraw/zinc/34/64/58/1176346458.db2.gz HISOAVZBEIMGGI-OLZOCXBDSA-N 2 0 255.406 1.364 10 0 CDAERP CCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001699403413 1176367404 /nfs/dbraw/zinc/36/74/04/1176367404.db2.gz XAFPKMVQHFRIOY-QWHCGFSZSA-N 2 0 255.406 1.364 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C[NH2+]CC[C@H]1CCCCO1)[NH+](C)C ZINC001699409155 1176373533 /nfs/dbraw/zinc/37/35/33/1176373533.db2.gz SGBHMUYNAXWTER-RRFJBIMHSA-N 2 0 299.459 1.380 10 0 CDAERP CCCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001700090209 1176744988 /nfs/dbraw/zinc/74/49/88/1176744988.db2.gz XPAKWDLSFTVKKN-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCF ZINC001700124695 1176757350 /nfs/dbraw/zinc/75/73/50/1176757350.db2.gz GCDHEIVIPVQSRP-KGLIPLIRSA-N 2 0 285.407 1.411 10 0 CDAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCCF ZINC001700750491 1177114382 /nfs/dbraw/zinc/11/43/82/1177114382.db2.gz ALYZSHHDLBOILI-KGLIPLIRSA-N 2 0 287.423 1.655 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCCF ZINC001700780377 1177129720 /nfs/dbraw/zinc/12/97/20/1177129720.db2.gz KZCQVUKGYPAOBV-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP C[N@H+](CC(=O)NC[C@H]1C[C@@H]([NH2+]CCCF)C1)C1CCC1 ZINC001707064265 1177936978 /nfs/dbraw/zinc/93/69/78/1177936978.db2.gz HKBKLJZJKQADRX-BETUJISGSA-N 2 0 285.407 1.315 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH+](C)CC2CCCC2)C1 ZINC001712971886 1178275621 /nfs/dbraw/zinc/27/56/21/1178275621.db2.gz CYDWGBUZTQWQKB-OAHLLOKOSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001713319900 1178494273 /nfs/dbraw/zinc/49/42/73/1178494273.db2.gz JOISFTCDLLKJQJ-ZIAGYGMSSA-N 2 0 267.417 1.531 10 0 CDAERP CN(CC[NH2+]Cc1ccc(F)c(F)c1)C(=O)CC[NH+](C)C ZINC001713630138 1178688899 /nfs/dbraw/zinc/68/88/99/1178688899.db2.gz DWTSYXGVUZPRQS-UHFFFAOYSA-N 2 0 299.365 1.465 10 0 CDAERP CCOCC[NH2+]CCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001713641139 1178693467 /nfs/dbraw/zinc/69/34/67/1178693467.db2.gz KNPSCAPUEKFXQT-OAHLLOKOSA-N 2 0 299.459 1.335 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CCCF)C1CC1 ZINC001713866746 1178801360 /nfs/dbraw/zinc/80/13/60/1178801360.db2.gz UCVJTCBXTNGEDH-LSDHHAIUSA-N 2 0 299.434 1.703 10 0 CDAERP CC(C)=CC[NH2+][C@@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001713877618 1178811285 /nfs/dbraw/zinc/81/12/85/1178811285.db2.gz YJDIAEOBWWBAQG-INIZCTEOSA-N 2 0 293.455 1.779 10 0 CDAERP CCCC[NH2+][C@@H](CC)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001714123123 1178981020 /nfs/dbraw/zinc/98/10/20/1178981020.db2.gz URPUSSLHUYQHJE-STQMWFEESA-N 2 0 255.406 1.223 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)[NH2+]CC)C1 ZINC001714269888 1179056981 /nfs/dbraw/zinc/05/69/81/1179056981.db2.gz ZSZPLJGKQYULOE-QWHCGFSZSA-N 2 0 255.406 1.223 10 0 CDAERP CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]CCCF)[NH+]1CCCC1 ZINC001714310590 1179079649 /nfs/dbraw/zinc/07/96/49/1179079649.db2.gz VEJHLXGECFWMIM-ZIAGYGMSSA-N 2 0 287.423 1.561 10 0 CDAERP CCC[NH2+]C[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001714367138 1179107719 /nfs/dbraw/zinc/10/77/19/1179107719.db2.gz NDGSNUXLDZVWPG-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+]CCC(F)(F)F ZINC001714426996 1179133269 /nfs/dbraw/zinc/13/32/69/1179133269.db2.gz FWFGVCQIOJPDEG-SNVBAGLBSA-N 2 0 283.338 1.232 10 0 CDAERP CCC[N@H+](C)CC(=O)NCCC[C@@H]1CCC[NH+]1CC ZINC001714533387 1179188023 /nfs/dbraw/zinc/18/80/23/1179188023.db2.gz JWTCNLIHFAMNRP-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)CC1CCC1 ZINC001714571750 1179226479 /nfs/dbraw/zinc/22/64/79/1179226479.db2.gz HHFHJDGTBSWKIH-UHFFFAOYSA-N 2 0 255.406 1.175 10 0 CDAERP CCC/C=C/CCN1CC(NC(=O)Cn2ccnc2C)C1 ZINC001714960288 1179477569 /nfs/dbraw/zinc/47/75/69/1179477569.db2.gz YFBFIQCIGFSYJR-AATRIKPKSA-N 2 0 290.411 1.738 10 0 CDAERP CC/C=C/CC[NH2+][C@H](CC)CNC(=O)C12CC[NH+](CC1)C2 ZINC001715086397 1179546233 /nfs/dbraw/zinc/54/62/33/1179546233.db2.gz RJQONIORKHCNNY-LLYBFZRZSA-N 2 0 293.455 1.923 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]CCCF ZINC001715234045 1179590013 /nfs/dbraw/zinc/59/00/13/1179590013.db2.gz UHOKBUAFDPGMHE-JHJVBQTASA-N 2 0 273.396 1.028 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CCC1CC1 ZINC001715799269 1179826110 /nfs/dbraw/zinc/82/61/10/1179826110.db2.gz MOJHONJDQVMFOV-SFAKSCPVSA-N 2 0 265.401 1.143 10 0 CDAERP O=C(NC/C=C/C[NH2+]Cc1ccccc1)C12CC[NH+](CC1)C2 ZINC001715895549 1179903152 /nfs/dbraw/zinc/90/31/52/1179903152.db2.gz QPGZQNGJAQSIFL-SNAWJCMRSA-N 2 0 299.418 1.544 10 0 CDAERP C[C@H](F)CC[NH2+]C/C=C/CNC(=O)C[NH+]1CCCC1 ZINC001715909677 1179909145 /nfs/dbraw/zinc/90/91/45/1179909145.db2.gz RBOWZLAKIVRMNT-IBUXWKBASA-N 2 0 271.380 1.092 10 0 CDAERP CC(C)=CC[NH2+]CC[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001716139560 1180067687 /nfs/dbraw/zinc/06/76/87/1180067687.db2.gz COGICJJBRRSMJO-HOCLYGCPSA-N 2 0 293.455 1.779 10 0 CDAERP C[C@H](C[NH2+]CCC1=CCCCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001716423387 1180198126 /nfs/dbraw/zinc/19/81/26/1180198126.db2.gz PZBJNADAVWIMIE-GDBMZVCRSA-N 2 0 293.455 1.923 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]CCF ZINC001716540657 1180277048 /nfs/dbraw/zinc/27/70/48/1180277048.db2.gz JKGWYIUAIWHTHS-CYBMUJFWSA-N 2 0 273.396 1.267 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)[C@H](CC)[NH+](C)C)CCOCC1 ZINC001716907526 1180462137 /nfs/dbraw/zinc/46/21/37/1180462137.db2.gz GVAIVJNTSBEXGX-AWEZNQCLSA-N 2 0 299.459 1.382 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@H](CC[NH2+]CCF)C1 ZINC001717104955 1180531449 /nfs/dbraw/zinc/53/14/49/1180531449.db2.gz JHXYIBSISVPQBQ-ZDUSSCGKSA-N 2 0 273.396 1.126 10 0 CDAERP CC/C=C\CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001717545038 1180731691 /nfs/dbraw/zinc/73/16/91/1180731691.db2.gz MAQYYTYPAMCYJJ-ZHNMKYCWSA-N 2 0 293.455 1.873 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCC2CC2)C1 ZINC001717637788 1180767105 /nfs/dbraw/zinc/76/71/05/1180767105.db2.gz OZFKCPNCGQTERK-RBSFLKMASA-N 2 0 279.428 1.365 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC2CC2)C1 ZINC001717879142 1180909866 /nfs/dbraw/zinc/90/98/66/1180909866.db2.gz LKDUWXZQLCRNAF-ZIAGYGMSSA-N 2 0 267.417 1.223 10 0 CDAERP O=C(CC[NH+]1CCCCC1)N[C@H]1CC[C@@H](C[NH2+]CCF)C1 ZINC001717888167 1180913915 /nfs/dbraw/zinc/91/39/15/1180913915.db2.gz ZGFNKANLTMOJSR-CABCVRRESA-N 2 0 299.434 1.706 10 0 CDAERP CCC[N@H+](C)CC(=O)NCC1=CC[NH+]([C@H](C)COC)CC1 ZINC001718032238 1180976698 /nfs/dbraw/zinc/97/66/98/1180976698.db2.gz LLLRHCSEGOJSAK-CQSZACIVSA-N 2 0 297.443 1.111 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001723977201 1181627570 /nfs/dbraw/zinc/62/75/70/1181627570.db2.gz PWNRPQDEOMIKSE-CABCVRRESA-N 2 0 279.428 1.485 10 0 CDAERP C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C[NH2+]CCF ZINC001724609817 1181704411 /nfs/dbraw/zinc/70/44/11/1181704411.db2.gz SIFYBDDGMSAMCR-LSDHHAIUSA-N 2 0 299.434 1.516 10 0 CDAERP CC(C)=CC[N@@H+](C)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001725191271 1181915557 /nfs/dbraw/zinc/91/55/57/1181915557.db2.gz BYGROXPZCUZHAZ-CQSZACIVSA-N 2 0 267.417 1.485 10 0 CDAERP C[C@H]1C[C@H]([NH2+]CCCF)CN1C(=O)CCCC[NH+](C)C ZINC001725595904 1182066680 /nfs/dbraw/zinc/06/66/80/1182066680.db2.gz QMOFEAIVCLLQGF-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001725651731 1182087924 /nfs/dbraw/zinc/08/79/24/1182087924.db2.gz GGOVIXGAVNFKIJ-HUUCEWRRSA-N 2 0 283.460 1.859 10 0 CDAERP CC[NH2+][C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001731396448 1182359309 /nfs/dbraw/zinc/35/93/09/1182359309.db2.gz LUBQYBQRSWMTDB-KBPBESRZSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001731478313 1182410413 /nfs/dbraw/zinc/41/04/13/1182410413.db2.gz XSQVWJBAQAVLPZ-LVQVYYBASA-N 2 0 295.471 2.000 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001731618890 1182483069 /nfs/dbraw/zinc/48/30/69/1182483069.db2.gz UBZUSMDCFHFBAW-KGLIPLIRSA-N 2 0 267.417 1.389 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]CCCF)C1 ZINC001731696774 1182521889 /nfs/dbraw/zinc/52/18/89/1182521889.db2.gz BDKLQILYGJZVPD-UONOGXRCSA-N 2 0 287.423 1.705 10 0 CDAERP CC[N@@H+]1CC[C@H](CCNC(=O)CCCC[NH+](C)C)C1 ZINC001732059026 1182745557 /nfs/dbraw/zinc/74/55/57/1182745557.db2.gz LDPNPXCRWOCBLE-AWEZNQCLSA-N 2 0 269.433 1.566 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H](CC[NH2+]CCF)C2)C1 ZINC001732282874 1182893944 /nfs/dbraw/zinc/89/39/44/1182893944.db2.gz BWQQSOWSAUEMRH-KGLIPLIRSA-N 2 0 285.407 1.126 10 0 CDAERP CC/C=C/CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001732336016 1182912201 /nfs/dbraw/zinc/91/22/01/1182912201.db2.gz BXPXJOADWQHDKJ-WHJWBVKISA-N 2 0 281.444 1.779 10 0 CDAERP CCC[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@@H]21 ZINC001732607339 1183045919 /nfs/dbraw/zinc/04/59/19/1183045919.db2.gz NAFWOEHYRODFOB-KBPBESRZSA-N 2 0 267.417 1.271 10 0 CDAERP O=C(CC[NH+]1CCCCC1)N[C@H]1CCC[C@H]1C[NH2+]CCF ZINC001732624822 1183053224 /nfs/dbraw/zinc/05/32/24/1183053224.db2.gz GMXCFVFVVYFQHG-GJZGRUSLSA-N 2 0 299.434 1.706 10 0 CDAERP CC[C@@H](F)C[NH2+]CC[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001732711758 1183095896 /nfs/dbraw/zinc/09/58/96/1183095896.db2.gz VKNKONXWJCQEMO-ZIAGYGMSSA-N 2 0 299.434 1.847 10 0 CDAERP CC[C@H](F)C[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001732854435 1183159159 /nfs/dbraw/zinc/15/91/59/1183159159.db2.gz ZHGQBOQMRNZMMS-MNZAGANASA-N 2 0 299.434 1.727 10 0 CDAERP CC[C@H](C)C[NH2+]C/C=C\CNC(=O)C[NH+]1CCCC1 ZINC001732935507 1183190435 /nfs/dbraw/zinc/19/04/35/1183190435.db2.gz KPQDKVQJOTWLRD-WSNITJDQSA-N 2 0 267.417 1.390 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]C/C=C/Cl ZINC001733027600 1183245186 /nfs/dbraw/zinc/24/51/86/1183245186.db2.gz OJXCCGANKBZRQR-QRGHLMKCSA-N 2 0 261.797 1.173 10 0 CDAERP CN(CCC[NH2+]Cc1ccon1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001733108332 1183294102 /nfs/dbraw/zinc/29/41/02/1183294102.db2.gz HMHYWWKWYGBJPL-CQSZACIVSA-N 2 0 294.399 1.097 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]2C[NH2+]C/C=C\Cl)C1 ZINC001733349061 1183406091 /nfs/dbraw/zinc/40/60/91/1183406091.db2.gz YDXRWURKJMZJLQ-UZBOCLDFSA-N 2 0 299.846 1.661 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000846679404 726015762 /nfs/dbraw/zinc/01/57/62/726015762.db2.gz CGQKQNBGQVRPBG-GUTXKFCHSA-N 2 0 265.401 1.106 10 0 CDAERP C[NH+](C)CCCNC(=S)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000863231048 726056660 /nfs/dbraw/zinc/05/66/60/726056660.db2.gz XZRSJQMUMFVOHE-AWEZNQCLSA-N 2 0 298.500 1.419 10 0 CDAERP C[C@@H]1C[C@@H]([N@H+](C)CC[C@H]2CCOC2=O)CCN1C ZINC000246386055 726320315 /nfs/dbraw/zinc/32/03/15/726320315.db2.gz JLPOTSXDHDTLAP-AGIUHOORSA-N 2 0 254.374 1.354 10 0 CDAERP C[C@@H](NC[C@@H]1CN(C2CC2)C(=O)O1)[C@H]1CCCC[NH2+]1 ZINC000848722291 726399760 /nfs/dbraw/zinc/39/97/60/726399760.db2.gz RTHOJQZIUOWQDQ-RAIGVLPGSA-N 2 0 267.373 1.090 10 0 CDAERP C[NH+]1CCC(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)CC1 ZINC000094370848 726952163 /nfs/dbraw/zinc/95/21/63/726952163.db2.gz AMNPLRHLAGVLQW-HUUCEWRRSA-N 2 0 268.401 1.256 10 0 CDAERP C(CC[NH+]1CCOCC1)C[NH2+][C@H]1CCCSC1 ZINC000783502685 727200875 /nfs/dbraw/zinc/20/08/75/727200875.db2.gz OGUDVGXRRIDSSO-ZDUSSCGKSA-N 2 0 258.431 1.584 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000863543917 726009046 /nfs/dbraw/zinc/00/90/46/726009046.db2.gz GSGKDJUJEGOLAP-MNOVXSKESA-N 2 0 268.323 1.933 10 0 CDAERP C[N@@H+]1CCN(CCN[C@@H]2CC[NH2+]C23CCCC3)CC1(C)C ZINC000925663268 726009429 /nfs/dbraw/zinc/00/94/29/726009429.db2.gz RAPNRFNSCIEYBA-OAHLLOKOSA-N 2 0 294.487 1.277 10 0 CDAERP C[NH+](C)C1(C)CCC(NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000871358409 726013962 /nfs/dbraw/zinc/01/39/62/726013962.db2.gz ULFBEBQZTZNMNA-NPCAHTBFSA-N 2 0 281.444 1.850 10 0 CDAERP CC(C)[NH+](CCNC(=O)[C@@H]1C[NH2+]CC1(C)C)C(C)C ZINC000711342858 726017406 /nfs/dbraw/zinc/01/74/06/726017406.db2.gz FRKXVCPKSYYJIO-ZDUSSCGKSA-N 2 0 269.433 1.467 10 0 CDAERP C[C@@H](CNC(=[NH2+])NCCc1cccs1)[N@H+](C)C1CC1 ZINC000849001674 726017665 /nfs/dbraw/zinc/01/76/65/726017665.db2.gz OOQJHHLYRABWHX-NSHDSACASA-N 2 0 280.441 1.887 10 0 CDAERP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1cn(C)nn1 ZINC000715886582 726030163 /nfs/dbraw/zinc/03/01/63/726030163.db2.gz WRZRVBKBVXBXGZ-WDEREUQCSA-N 2 0 251.378 1.196 10 0 CDAERP COc1ccccc1[C@@H]1C[NH2+]CCN1CCC[NH2+]C1CC1 ZINC000923348792 726056333 /nfs/dbraw/zinc/05/63/33/726056333.db2.gz KUXOPKBERSGULV-INIZCTEOSA-N 2 0 289.423 1.784 10 0 CDAERP CC(C)[C@H]([NH3+])CN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925689479 726064307 /nfs/dbraw/zinc/06/43/07/726064307.db2.gz AMFFOABCSCQHEG-RBSFLKMASA-N 2 0 253.434 1.728 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](O)C2CCCCC2)C12CCC2 ZINC000925476251 726095407 /nfs/dbraw/zinc/09/54/07/726095407.db2.gz IJYIFQHZPMZUQW-MJBXVCDLSA-N 2 0 252.402 1.787 10 0 CDAERP CC1(C)[C@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925538367 726139088 /nfs/dbraw/zinc/13/90/88/726139088.db2.gz URJAQRKGCWBHID-DRPJVOAASA-N 2 0 277.456 1.837 10 0 CDAERP Cn1cnc(CC[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)c1 ZINC000925693149 726168699 /nfs/dbraw/zinc/16/86/99/726168699.db2.gz LQTUKZAMULZWBI-DGCLKSJQSA-N 2 0 250.390 1.458 10 0 CDAERP CC(C)O[C@@]1(C[NH2+][C@H](C)C2CC[NH+](C)CC2)CCOC1 ZINC000722357541 726200282 /nfs/dbraw/zinc/20/02/82/726200282.db2.gz WSUMUVPCIDNOHA-GDBMZVCRSA-N 2 0 284.444 1.890 10 0 CDAERP C[C@@H]1CN(CC[NH2+][C@H]2CCCN3CCCC[C@H]23)CCO1 ZINC000924961900 726213069 /nfs/dbraw/zinc/21/30/69/726213069.db2.gz PYVVTQOXIDCNAO-OWCLPIDISA-N 2 0 281.444 1.314 10 0 CDAERP C[N@H+](C[C@@H]1C[C@H]2COC[C@@H]2O1)C1(C[NH3+])CCCCC1 ZINC000724588487 726215104 /nfs/dbraw/zinc/21/51/04/726215104.db2.gz CHIXFWSAZYPEDQ-IHRRRGAJSA-N 2 0 268.401 1.384 10 0 CDAERP C[C@@H]1[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@@H+]1C ZINC000928438735 726217331 /nfs/dbraw/zinc/21/73/31/726217331.db2.gz UZQIWOJKWDYHEZ-ZWNOBZJWSA-N 2 0 258.325 1.157 10 0 CDAERP CC(C)CC[C@@H](O)CN1CCc2[nH+]ccc(N)c2C1 ZINC000931518170 726219579 /nfs/dbraw/zinc/21/95/79/726219579.db2.gz NCHAVGCGAXIBSY-GFCCVEGCSA-N 2 0 263.385 1.819 10 0 CDAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CCCOC(F)(F)F)CC2 ZINC000923444088 726296384 /nfs/dbraw/zinc/29/63/84/726296384.db2.gz GULZCJQUEXIJJE-LLVKDONJSA-N 2 0 296.333 1.743 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)[C@H]1CCCC[NH2+]1 ZINC000925831894 726305116 /nfs/dbraw/zinc/30/51/16/726305116.db2.gz PPJCRMZCZCDGRU-SBJFKYEJSA-N 2 0 250.386 1.698 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)NCc2ccc(F)cc2)CC[C@@H]1C[NH3+] ZINC000923502940 726307527 /nfs/dbraw/zinc/30/75/27/726307527.db2.gz FFLNTSBDTCVYHD-TZMCWYRMSA-N 2 0 293.386 1.359 10 0 CDAERP [NH3+]Cc1nc2c(s1)CCN(C[C@@H]1CCCOC1)C2 ZINC000709749126 726314376 /nfs/dbraw/zinc/31/43/76/726314376.db2.gz BTAIDWBNSSQOMP-JTQLQIEISA-N 2 0 267.398 1.387 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)C[C@@](C)(O)C2CC2)C1 ZINC000872202304 726321741 /nfs/dbraw/zinc/32/17/41/726321741.db2.gz HBVPBWRAVNBQLS-XUWVNRHRSA-N 2 0 284.444 1.361 10 0 CDAERP CN(C[C@@H]1CN(C2CC2)C(=O)O1)C[C@@H]1CCC[N@H+](C)C1 ZINC000844299255 726337278 /nfs/dbraw/zinc/33/72/78/726337278.db2.gz SCXNELFEUPJIJA-TZMCWYRMSA-N 2 0 281.400 1.243 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000870994774 726348824 /nfs/dbraw/zinc/34/88/24/726348824.db2.gz UZEQLUNDPSKWCU-WFASDCNBSA-N 2 0 267.417 1.337 10 0 CDAERP C(OC1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1)C1CC1 ZINC000923318228 726351400 /nfs/dbraw/zinc/35/14/00/726351400.db2.gz XUBFPKQBCLNHMX-OAHLLOKOSA-N 2 0 280.412 1.256 10 0 CDAERP Cc1ccccc1C1([NH2+]C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923382657 726812127 /nfs/dbraw/zinc/81/21/27/726812127.db2.gz DSPCCRPAAJSYHZ-CQSZACIVSA-N 2 0 272.392 1.952 10 0 CDAERP COC[C@H]([NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)C1CCOCC1 ZINC000925706397 726815783 /nfs/dbraw/zinc/81/57/83/726815783.db2.gz MJBCFDFFCXDNMY-KKUMJFAQSA-N 2 0 284.444 1.924 10 0 CDAERP Cn1nnc2c1C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H]3CCC[C@@H]31)CC2 ZINC000927148935 726834226 /nfs/dbraw/zinc/83/42/26/726834226.db2.gz YUOPTVPWSGMCST-GUIRCDHDSA-N 2 0 289.427 1.135 10 0 CDAERP C[N@H+](CCOc1ccccc1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923299503 726835362 /nfs/dbraw/zinc/83/53/62/726835362.db2.gz SUFJVGFATPSGPI-HNNXBMFYSA-N 2 0 276.380 1.376 10 0 CDAERP C[NH+](C)[C@H]1CCCN(C(=O)CCC23CC(C2)C[NH2+]3)CC1 ZINC000870926507 726863820 /nfs/dbraw/zinc/86/38/20/726863820.db2.gz FTRBKBLXAPSWBH-BBBYJDLNSA-N 2 0 279.428 1.461 10 0 CDAERP CC[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)[C@H]1C[C@H]1C ZINC000925848278 726865761 /nfs/dbraw/zinc/86/57/61/726865761.db2.gz DQIDPJKFKZIBFL-RFGFWPKPSA-N 2 0 280.412 1.696 10 0 CDAERP [NH3+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000870972367 726877488 /nfs/dbraw/zinc/87/74/88/726877488.db2.gz ZCLDVOLYUXNBDI-FDYHWXHSSA-N 2 0 253.390 1.138 10 0 CDAERP CC(C)[NH+]1CCC([NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)CC1 ZINC000724622143 726880738 /nfs/dbraw/zinc/88/07/38/726880738.db2.gz HTRXYOOHUALBPW-YUELXQCFSA-N 2 0 268.401 1.253 10 0 CDAERP C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H]3CCCC[C@@]32C)CC1 ZINC000879061626 726893535 /nfs/dbraw/zinc/89/35/35/726893535.db2.gz FVRDXNMUOGWCLE-BBRMVZONSA-N 2 0 279.428 1.461 10 0 CDAERP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712608657 726908283 /nfs/dbraw/zinc/90/82/83/726908283.db2.gz KTHZIVDDRIDWIK-QWHCGFSZSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@H]1C[N@H+](Cc2cc(CO)ccc2F)CC[C@H]1C[NH3+] ZINC000923489843 726933015 /nfs/dbraw/zinc/93/30/15/726933015.db2.gz MDTOSMJGTMVPSX-AAEUAGOBSA-N 2 0 266.360 1.735 10 0 CDAERP CCO[C@H](CN[C@H](CC)[C@@H]1CCC[NH2+]1)C[NH+](C)C ZINC000925836440 726950015 /nfs/dbraw/zinc/95/00/15/726950015.db2.gz KVDNLNXUGBSFAR-MCIONIFRSA-N 2 0 257.422 1.073 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3[C@H]2CCC[NH+]3C)CC[N@@H+]1C ZINC000874822916 726967422 /nfs/dbraw/zinc/96/74/22/726967422.db2.gz DPNPQKDHTXJPBP-LJISPDSOSA-N 2 0 279.428 1.412 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)C2CC2)C1 ZINC000819182122 726967454 /nfs/dbraw/zinc/96/74/54/726967454.db2.gz IWRUEQXJYVAPDA-HIFRSBDPSA-N 2 0 254.418 1.715 10 0 CDAERP COCC[N@H+](C)CCCNC(=[NH2+])NCCc1cccs1 ZINC000848993156 726976437 /nfs/dbraw/zinc/97/64/37/726976437.db2.gz ACFNYNGQVNHCAK-UHFFFAOYSA-N 2 0 298.456 1.373 10 0 CDAERP C([C@@H]1C[C@H]2COC[C@@H]2O1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000929718920 726976977 /nfs/dbraw/zinc/97/69/77/726976977.db2.gz KJYDDPZJKBMRBL-QAETUUGQSA-N 2 0 294.439 1.598 10 0 CDAERP CCCCNC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923311119 726984348 /nfs/dbraw/zinc/98/43/48/726984348.db2.gz RHJMCRPWARHRMB-CQSZACIVSA-N 2 0 281.444 1.757 10 0 CDAERP C[C@@H](CNC(=[NH2+])N1CCO[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000848995245 727001101 /nfs/dbraw/zinc/00/11/01/727001101.db2.gz LWUQZPAFTWTNKW-KBPBESRZSA-N 2 0 282.432 1.353 10 0 CDAERP CCn1nnc(C)c1C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923489836 727006078 /nfs/dbraw/zinc/00/60/78/727006078.db2.gz MBAKULPAEDIEKQ-CMPLNLGQSA-N 2 0 251.378 1.023 10 0 CDAERP CCC1([NH+](C)C)CCN(C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000715276290 727022009 /nfs/dbraw/zinc/02/20/09/727022009.db2.gz UVEKMFQLFMDYKM-OAHLLOKOSA-N 2 0 283.460 1.249 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000123633710 727024328 /nfs/dbraw/zinc/02/43/28/727024328.db2.gz YTRBLZMSZGKRTH-CHWSQXEVSA-N 2 0 255.406 1.206 10 0 CDAERP C[C@@H](C[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2)CN1CC[NH+](C)CC1 ZINC000924953634 727042994 /nfs/dbraw/zinc/04/29/94/727042994.db2.gz RJXNNMMSHJHSOK-MWDXBVQZSA-N 2 0 277.456 1.814 10 0 CDAERP CO[C@H](C[N@@H+]1[C@@H]2CC[C@H]1CN(C)CC2)C1CCC1 ZINC000931719045 727056661 /nfs/dbraw/zinc/05/66/61/727056661.db2.gz ZWLRNUXBDTZPIS-QLFBSQMISA-N 2 0 252.402 1.970 10 0 CDAERP CN(C)[C@]1(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CCSC1 ZINC000925529780 727068989 /nfs/dbraw/zinc/06/89/89/727068989.db2.gz HAXMCPSGYROLMT-GUTXKFCHSA-N 2 0 285.501 1.919 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(CCC[NH2+]C2CC2)C1 ZINC000923327197 727094389 /nfs/dbraw/zinc/09/43/89/727094389.db2.gz QNFRXPPQPZJSJQ-AWEZNQCLSA-N 2 0 253.434 1.792 10 0 CDAERP CC[C@@H]1CCN(C(=[NH2+])NC[C@@H](C2CC2)[NH+](C)C)C1 ZINC000864455136 727117335 /nfs/dbraw/zinc/11/73/35/727117335.db2.gz HJBAMHXMKFVBBH-YPMHNXCESA-N 2 0 252.406 1.583 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@H]1CC[C@H](C3CC3)O1)C2 ZINC000715414202 727127803 /nfs/dbraw/zinc/12/78/03/727127803.db2.gz LPWLCQBTLOFKKJ-XFZHLKPQSA-N 2 0 250.386 1.756 10 0 CDAERP C[C@H](NC[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1CCCC[NH2+]1 ZINC000925774532 727145762 /nfs/dbraw/zinc/14/57/62/727145762.db2.gz AYDPWEUKKYKZHP-SRVKXCTJSA-N 2 0 261.360 1.351 10 0 CDAERP C[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)CN1CC[NH+](C)CC1 ZINC000925493854 727155865 /nfs/dbraw/zinc/15/58/65/727155865.db2.gz ZWKNTIJZIXFENM-BZUAXINKSA-N 3 0 296.503 1.366 10 0 CDAERP C[C@H]1C[N@H+](Cc2cccc(C(=O)N(C)C)c2)CC[C@@H]1C[NH3+] ZINC000923499290 727184343 /nfs/dbraw/zinc/18/43/43/727184343.db2.gz RVCOKEWULXLQEB-XJKSGUPXSA-N 2 0 289.423 1.805 10 0 CDAERP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@@H]1CC[C@H](C3CC3)O1)C2 ZINC000715395065 727194600 /nfs/dbraw/zinc/19/46/00/727194600.db2.gz PPZKFNYOZILROW-BYNSBNAKSA-N 2 0 250.386 1.485 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)C[NH+]3CCC2CC3)CC[N@@H+]1C ZINC000864083721 727228913 /nfs/dbraw/zinc/22/89/13/727228913.db2.gz CZZPGVNESDBPRU-SQWLQELKSA-N 2 0 279.428 1.317 10 0 CDAERP [NH3+]CCCCCC(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000846680649 727243045 /nfs/dbraw/zinc/24/30/45/727243045.db2.gz USEHKLBVZCQEMD-UHFFFAOYSA-N 2 0 253.390 1.235 10 0 CDAERP CCN(CCC[NH+](CC)CC)C(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711316208 727303853 /nfs/dbraw/zinc/30/38/53/727303853.db2.gz OJIFOAUDAQFTSD-CQSZACIVSA-N 2 0 283.460 1.812 10 0 CDAERP C[C@@H]1[NH2+]CCC[C@@H]1N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000925827135 727310022 /nfs/dbraw/zinc/31/00/22/727310022.db2.gz MFIABDJQTPRWKC-CWRNSKLLSA-N 2 0 276.428 1.805 10 0 CDAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](C[C@@H](O)c1ccccc1)CC2 ZINC000923442384 727311209 /nfs/dbraw/zinc/31/12/09/727311209.db2.gz PJSKDIPANQZZMD-JKSUJKDBSA-N 2 0 290.407 1.550 10 0 CDAERP CS(=O)(=O)CCCCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925641971 727311772 /nfs/dbraw/zinc/31/17/72/727311772.db2.gz DTOXZGFPWQQVFA-RYUDHWBXSA-N 2 0 274.430 1.061 10 0 CDAERP O=C(NCC1CC1)[C@@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923304136 727315128 /nfs/dbraw/zinc/31/51/28/727315128.db2.gz UINPJJSDHBWXQZ-CQSZACIVSA-N 2 0 279.428 1.367 10 0 CDAERP Cc1cc(CC[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])nn1C ZINC000925833450 727326970 /nfs/dbraw/zinc/32/69/70/727326970.db2.gz JHKAJVAMZHYFSN-PBHICJAKSA-N 2 0 286.423 1.819 10 0 CDAERP CC(C)N(C)C(=O)[C@@H](C)[N@H+](C)CCCCCC[NH3+] ZINC000872155300 727343182 /nfs/dbraw/zinc/34/31/82/727343182.db2.gz GZBBSJGHVJHCSS-CYBMUJFWSA-N 2 0 257.422 1.693 10 0 CDAERP Cc1cccc(NC(=[NH2+])NC[C@@H]2CCC[N@@H+]2CCCO)c1 ZINC000849034410 727363405 /nfs/dbraw/zinc/36/34/05/727363405.db2.gz UYXMAMITBVNYBQ-HNNXBMFYSA-N 2 0 290.411 1.778 10 0 CDAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CCC1CC[NH2+]CC1)CC2 ZINC000923453019 727373293 /nfs/dbraw/zinc/37/32/93/727373293.db2.gz YAXHTKLVBJLJSE-OAHLLOKOSA-N 3 0 281.444 1.206 10 0 CDAERP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccnc(F)c1 ZINC000858133092 727375285 /nfs/dbraw/zinc/37/52/85/727375285.db2.gz KFUYYWYRUZWTQW-AWEZNQCLSA-N 2 0 281.375 1.547 10 0 CDAERP Cc1cc([C@H]([NH3+])CC(=O)N[C@@H](C)CCC[NH3+])cc(Cl)n1 ZINC000834813022 727382164 /nfs/dbraw/zinc/38/21/64/727382164.db2.gz BOLGLMKJQYTVOR-JOYOIKCWSA-N 2 0 298.818 1.677 10 0 CDAERP CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+]C2[C@@H]3CC[C@H]2C[N@@H+](C)C3)C1 ZINC000925069582 727384098 /nfs/dbraw/zinc/38/40/98/727384098.db2.gz IKJCFDNFMLSEJJ-IWQYDBTJSA-N 2 0 293.455 1.563 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2cccc(F)c2)C12CCC2 ZINC000925502955 727387861 /nfs/dbraw/zinc/38/78/61/727387861.db2.gz MFILODLOVQEFMK-YUELXQCFSA-N 2 0 294.370 1.425 10 0 CDAERP C[C@](O)(C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)C1CC1 ZINC000925609817 727394511 /nfs/dbraw/zinc/39/45/11/727394511.db2.gz WEKNOIVLOHKNTN-PMPSAXMXSA-N 2 0 266.429 1.905 10 0 CDAERP CN(CC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2)c1ccccc1 ZINC000925538224 727394604 /nfs/dbraw/zinc/39/46/04/727394604.db2.gz PUVXQKXRSAIWSE-GJZGRUSLSA-N 2 0 259.397 1.982 10 0 CDAERP C[NH+](C)CCC[C@@H]1CN(C(=O)CCCCCC[NH3+])CCO1 ZINC000852924874 727397795 /nfs/dbraw/zinc/39/77/95/727397795.db2.gz VXCZZKOMFWDAOT-OAHLLOKOSA-N 2 0 299.459 1.465 10 0 CDAERP COc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000227748375 727402385 /nfs/dbraw/zinc/40/23/85/727402385.db2.gz NRHZKKORDKWBOW-STQMWFEESA-N 2 0 291.395 1.550 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000870893444 727402633 /nfs/dbraw/zinc/40/26/33/727402633.db2.gz VQSONMMMCDNWIO-ZMSDIMECSA-N 2 0 291.439 1.448 10 0 CDAERP C[C@H](CN[C@@H]1C[C@H]([NH3+])C12CCC2)[NH+]1CCC(C)CC1 ZINC000925511603 727413658 /nfs/dbraw/zinc/41/36/58/727413658.db2.gz PTMHHQSBPWKQPT-QLFBSQMISA-N 2 0 265.445 1.966 10 0 CDAERP Cc1csc(C[C@H]2CC[N@H+](C[C@H]3CC[NH2+]C3)C2)n1 ZINC000923551213 727420953 /nfs/dbraw/zinc/42/09/53/727420953.db2.gz LBPMHAHLGPWCDK-OLZOCXBDSA-N 2 0 265.426 1.925 10 0 CDAERP COc1ccc(OCC[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1 ZINC000723910891 727426103 /nfs/dbraw/zinc/42/61/03/727426103.db2.gz YLTBAWGXRNTNIW-ZIAGYGMSSA-N 2 0 278.396 1.991 10 0 CDAERP CC(=O)NCCCCC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000930554450 727457078 /nfs/dbraw/zinc/45/70/78/727457078.db2.gz HLJXINSIAABEMC-HNNXBMFYSA-N 2 0 267.417 1.320 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000870867204 727457633 /nfs/dbraw/zinc/45/76/33/727457633.db2.gz HRZDLDUMOKOMQV-NMNMXBMNSA-N 2 0 293.455 1.598 10 0 CDAERP C[NH+](C)CCOCC[NH2+][C@H](C1CCC1)[C@H]1CCOC1 ZINC000926253658 727462041 /nfs/dbraw/zinc/46/20/41/727462041.db2.gz HEIZIOBZXOVJSM-LSDHHAIUSA-N 2 0 270.417 1.359 10 0 CDAERP Cc1cc([C@@H]([NH3+])CC(=O)N2CC[C@@H](C[NH3+])C2)cc(Cl)n1 ZINC000832554989 727468730 /nfs/dbraw/zinc/46/87/30/727468730.db2.gz WWKQCNOAXGOBMH-JQWIXIFHSA-N 2 0 296.802 1.241 10 0 CDAERP [NH3+]CCCCCC[N@@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000846223914 727489780 /nfs/dbraw/zinc/48/97/80/727489780.db2.gz QGRNUWAEJMLUGP-ZIAGYGMSSA-N 2 0 267.417 1.496 10 0 CDAERP CCN1C[C@H](C[NH+]2CCC(C[NH+](C)C)CC2)OC1=O ZINC000846775093 727783521 /nfs/dbraw/zinc/78/35/21/727783521.db2.gz ZOVCGVLSPWAUKO-ZDUSSCGKSA-N 2 0 269.389 1.101 10 0 CDAERP CC(C)(C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)N1CCOCC1 ZINC000925501291 727801057 /nfs/dbraw/zinc/80/10/57/727801057.db2.gz BULPSCDJJLKLCZ-KGLIPLIRSA-N 2 0 283.460 1.593 10 0 CDAERP CSC[C@@H](O)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000923391319 727803321 /nfs/dbraw/zinc/80/33/21/727803321.db2.gz XSGDOKJZYUFCIA-KBPBESRZSA-N 2 0 272.458 1.422 10 0 CDAERP CC(C)CC[C@@H](O)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000923411335 727806362 /nfs/dbraw/zinc/80/63/62/727806362.db2.gz RGHDQMBAKKJDDU-IAGOWNOFSA-N 2 0 298.471 1.874 10 0 CDAERP C[C@@H]([NH3+])C1CC[NH+](CCc2ccc(C(N)=O)cc2)CC1 ZINC000866659182 727817928 /nfs/dbraw/zinc/81/79/28/727817928.db2.gz IHXHSGOYARPTKP-GFCCVEGCSA-N 2 0 275.396 1.387 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+][C@@H](CO)Cc2ccc(F)cc2)C12CCC2 ZINC000925650322 727833866 /nfs/dbraw/zinc/83/38/66/727833866.db2.gz NYBXHADLSGDYJN-KFWWJZLASA-N 2 0 278.371 1.589 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)C1 ZINC000872299164 727847673 /nfs/dbraw/zinc/84/76/73/727847673.db2.gz YMPNKANOFHAFGZ-JTTNIQEDSA-N 2 0 277.412 1.104 10 0 CDAERP CC[C@H]1CCN(C(=[NH2+])NCCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000864465404 727848182 /nfs/dbraw/zinc/84/81/82/727848182.db2.gz VWHGRMROKQILQT-GJZGRUSLSA-N 2 0 296.459 1.744 10 0 CDAERP Cc1csc([C@H]2CC[N@H+](C[C@@H]3CC[NH2+]C3)C2)n1 ZINC000872147346 727854284 /nfs/dbraw/zinc/85/42/84/727854284.db2.gz HXHXAYSOEDACBJ-NEPJUHHUSA-N 2 0 251.399 1.850 10 0 CDAERP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)C(C)(C)CO ZINC000926355935 727864838 /nfs/dbraw/zinc/86/48/38/727864838.db2.gz CFHIYCOWEGEWJZ-ZDUSSCGKSA-N 2 0 271.449 1.009 10 0 CDAERP CC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925857206 727866113 /nfs/dbraw/zinc/86/61/13/727866113.db2.gz YZTSFXSKQOHNTH-MGPQQGTHSA-N 2 0 280.412 1.840 10 0 CDAERP O[C@H](CN(C1CC1)[C@H]1CC[NH2+]C1)CC(F)(F)F ZINC000923330164 727874628 /nfs/dbraw/zinc/87/46/28/727874628.db2.gz YJWWBPKPDMBTFL-UWVGGRQHSA-N 2 0 252.280 1.126 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CC=C(C(=O)OC)C2)[C@H](C)C1 ZINC000858474386 727880745 /nfs/dbraw/zinc/88/07/45/727880745.db2.gz AVOJDJJDDUIRTJ-XBFCOCLRSA-N 2 0 266.385 1.568 10 0 CDAERP Cc1cc(NC[C@@H](C)[N@H+](C)Cc2ccccc2)nc(N)[nH+]1 ZINC000390807804 727888210 /nfs/dbraw/zinc/88/82/10/727888210.db2.gz NHXGTWVOUAOYNF-CYBMUJFWSA-N 2 0 285.395 1.552 10 0 CDAERP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000925654841 727913687 /nfs/dbraw/zinc/91/36/87/727913687.db2.gz OEDYMICFMISZIS-ILXRZTDVSA-N 2 0 293.455 1.898 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+]Cc1cnn(-c2ccccc2)n1 ZINC000841078868 727942696 /nfs/dbraw/zinc/94/26/96/727942696.db2.gz HRITWFUMYCSQTG-ZDUSSCGKSA-N 2 0 273.384 1.874 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000870852495 727992236 /nfs/dbraw/zinc/99/22/36/727992236.db2.gz GUUYQJVLDJCIHC-KNCOVGOOSA-N 2 0 277.412 1.104 10 0 CDAERP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000924700035 727994096 /nfs/dbraw/zinc/99/40/96/727994096.db2.gz VUMBQIATQRJBCV-KHMAMNHCSA-N 2 0 252.402 1.874 10 0 CDAERP CNC(=O)c1ccc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923496112 728005378 /nfs/dbraw/zinc/00/53/78/728005378.db2.gz GRQYHVIMKSEYCK-IUODEOHRSA-N 2 0 275.396 1.463 10 0 CDAERP Cn1cncc1CC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925646479 728129517 /nfs/dbraw/zinc/12/95/17/728129517.db2.gz VFDMTMSVEYTBTF-RYUDHWBXSA-N 2 0 250.390 1.458 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCC([C@@H](O)c2ccnn2C)CC1 ZINC000857226194 728149657 /nfs/dbraw/zinc/14/96/57/728149657.db2.gz HFBHYUPRKCWWPQ-GOEBONIOSA-N 2 0 294.443 1.539 10 0 CDAERP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000930575818 728151983 /nfs/dbraw/zinc/15/19/83/728151983.db2.gz FONJXBVJPSLHBG-LZWOXQAQSA-N 2 0 280.412 1.603 10 0 CDAERP C[NH+]1CCC[C@H]1CCN1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000933737865 728152307 /nfs/dbraw/zinc/15/23/07/728152307.db2.gz TZWKUHUYFHRBJZ-ILXRZTDVSA-N 2 0 251.418 1.354 10 0 CDAERP CC1CCC(OC2CC[NH+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)CC2)CC1 ZINC000923312916 728195436 /nfs/dbraw/zinc/19/54/36/728195436.db2.gz MVBLNQLPBCXSAS-YMHAGBDXSA-N 2 0 296.455 1.897 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)CCC23CC(C2)C[NH2+]3)C1 ZINC000870988296 728210400 /nfs/dbraw/zinc/21/04/00/728210400.db2.gz MBAGHNDNWTUSMR-PWZRNIHTSA-N 2 0 293.455 1.742 10 0 CDAERP C[C@H](C[NH2+][C@H](C1CC1)C1CCOCC1)N1CC[NH+](C)CC1 ZINC000924967303 728212815 /nfs/dbraw/zinc/21/28/15/728212815.db2.gz XDMTZUZNHYUFLO-RHSMWYFYSA-N 2 0 295.471 1.417 10 0 CDAERP COCC1([N@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)CCC1 ZINC000872158154 728231129 /nfs/dbraw/zinc/23/11/29/728231129.db2.gz XTSMIOIEAKNUFX-LBPRGKRZSA-N 2 0 254.374 1.008 10 0 CDAERP COCC1CC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000714005099 728274053 /nfs/dbraw/zinc/27/40/53/728274053.db2.gz GXYJYFPPPBLJNH-QXRZNBQRSA-N 2 0 252.402 1.922 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2)CC[C@H]1C[NH3+] ZINC000251849246 728283656 /nfs/dbraw/zinc/28/36/56/728283656.db2.gz RGOCYLNHGIWFJP-OLZOCXBDSA-N 2 0 261.369 1.542 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@@H]2CCC[C@H]2CCCF)CC1 ZINC000925817683 728297938 /nfs/dbraw/zinc/29/79/38/728297938.db2.gz VMVSKRLMTWBAEM-DZGCQCFKSA-N 2 0 271.424 1.918 10 0 CDAERP CC[C@@H]1CCN(C(=[NH2+])NCCCC[NH+]2CCOCC2)C1 ZINC000864452330 728303294 /nfs/dbraw/zinc/30/32/94/728303294.db2.gz NCMCSIHLQDNUFN-CQSZACIVSA-N 2 0 282.432 1.355 10 0 CDAERP CC(C)C[NH2+]C1(CO)CC[NH+](CC2(O)CCCCC2)CC1 ZINC000852123229 728312795 /nfs/dbraw/zinc/31/27/95/728312795.db2.gz SYNBGCGKJJRVQK-UHFFFAOYSA-N 2 0 298.471 1.754 10 0 CDAERP C[NH+](C)C[C@@H]1CCCCN1C(=O)C=C1CC[NH2+]CC1 ZINC000852883025 728335745 /nfs/dbraw/zinc/33/57/45/728335745.db2.gz DLXVPGBYXONSLS-AWEZNQCLSA-N 2 0 265.401 1.239 10 0 CDAERP COC(=O)CC[N@H+](CCC[NH2+]C1CC1)C1CCOCC1 ZINC000923371166 728342717 /nfs/dbraw/zinc/34/27/17/728342717.db2.gz QCUNTTPOBYECAZ-UHFFFAOYSA-N 2 0 284.400 1.173 10 0 CDAERP OCCCSCC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925608816 728356274 /nfs/dbraw/zinc/35/62/74/728356274.db2.gz KKESLAHQKKCTBK-GJZGRUSLSA-N 2 0 286.485 1.860 10 0 CDAERP CO[C@H](C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1)C1CCC1 ZINC000923447777 728356981 /nfs/dbraw/zinc/35/69/81/728356981.db2.gz WVJKYIUBSBPSMD-LSDHHAIUSA-N 2 0 282.428 1.631 10 0 CDAERP CCN(CC)C(=O)C[C@H](C)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925796773 728366383 /nfs/dbraw/zinc/36/63/83/728366383.db2.gz DQHQQLFMHFGKQS-HZSPNIEDSA-N 2 0 269.433 1.469 10 0 CDAERP C[C@H]1CC[N@H+](CCNC(=[NH2+])NCCc2cccs2)C1 ZINC000849004182 728374153 /nfs/dbraw/zinc/37/41/53/728374153.db2.gz DVKTUVLOOVCYPI-LBPRGKRZSA-N 2 0 280.441 1.746 10 0 CDAERP Cc1ccnc(N2CCc3sc(C[NH3+])nc3C2)c1 ZINC000710206970 728376686 /nfs/dbraw/zinc/37/66/86/728376686.db2.gz HFQJODJIVKKGGA-UHFFFAOYSA-N 2 0 260.366 1.868 10 0 CDAERP CC1(C)C[C@@H]([NH2+][C@@H]2CCN(C3CC3)C2)C[C@@H]([NH3+])C1 ZINC000925494132 1164784447 /nfs/dbraw/zinc/78/44/47/1164784447.db2.gz JKISYMNOCJYRTO-UPJWGTAASA-N 2 0 251.418 1.719 10 0 CDAERP CC1(C)C[NH2+][C@H]1C(=O)N1c2ccccc2[C@@H]([NH3+])C1(C)C ZINC000867988834 1164894674 /nfs/dbraw/zinc/89/46/74/1164894674.db2.gz VFSGESFJXMLFKW-OLZOCXBDSA-N 2 0 273.380 1.810 10 0 CDAERP CC(C)[NH2+]CC(=O)N1c2ccccc2[C@@H]([NH3+])C1(C)C ZINC000867987730 1164894711 /nfs/dbraw/zinc/89/47/11/1164894711.db2.gz PLHADXTUSXQARG-CQSZACIVSA-N 2 0 261.369 1.810 10 0 CDAERP CC[NH+](CC)CCCCNC(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001621301750 1165684988 /nfs/dbraw/zinc/68/49/88/1165684988.db2.gz XAQGXWOEUUFRSZ-AWEZNQCLSA-N 2 0 287.423 1.659 10 0 CDAERP CC[NH+](CC)CCNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055122969 1166998866 /nfs/dbraw/zinc/99/88/66/1166998866.db2.gz WQIXWYFAFUXRRO-STQMWFEESA-N 2 0 255.406 1.352 10 0 CDAERP C[C@H](CC[NH2+]Cc1ccon1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001320528123 1167461528 /nfs/dbraw/zinc/46/15/28/1167461528.db2.gz FYJYEJVVRWUHFZ-GFCCVEGCSA-N 2 0 294.399 1.001 10 0 CDAERP CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[N@H+](C)CCC ZINC001272331474 912811765 /nfs/dbraw/zinc/81/17/65/912811765.db2.gz HHXNNBOVYRHCKH-KBPBESRZSA-N 2 0 269.433 1.613 10 0 CDAERP CC[C@H](C)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001493546259 913251941 /nfs/dbraw/zinc/25/19/41/913251941.db2.gz NZRWZTOGGBUAER-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000724537075 894624697 /nfs/dbraw/zinc/62/46/97/894624697.db2.gz WPKZZHSKDAURQZ-XJFOESAGSA-N 2 0 265.401 1.199 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCOC2CCC2)C1 ZINC001266735965 895943117 /nfs/dbraw/zinc/94/31/17/895943117.db2.gz ZPBQWRHCKMVRDX-OKILXGFUSA-N 2 0 297.443 1.133 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001267065050 896670220 /nfs/dbraw/zinc/67/02/20/896670220.db2.gz PSHOCCPOSWBQDM-UONOGXRCSA-N 2 0 297.418 1.268 10 0 CDAERP CC(C)CC[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267071697 896688750 /nfs/dbraw/zinc/68/87/50/896688750.db2.gz IVFGMZZSCNJHHP-CYBMUJFWSA-N 2 0 255.406 1.032 10 0 CDAERP CC(C)OCCC[NH2+]CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001567555441 1168851555 /nfs/dbraw/zinc/85/15/55/1168851555.db2.gz MZBUMVJEHQCXLW-UHFFFAOYSA-N 2 0 299.459 1.191 10 0 CDAERP C[NH+](C)CCCC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693667701 897155351 /nfs/dbraw/zinc/15/53/51/897155351.db2.gz ONYBFTUFVZJBTN-MJBXVCDLSA-N 3 0 253.434 1.694 10 0 CDAERP CCC[NH2+]CC[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001272617627 914186106 /nfs/dbraw/zinc/18/61/06/914186106.db2.gz YHBHIGSRPOAYNM-HUUCEWRRSA-N 2 0 281.444 1.566 10 0 CDAERP CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]CC1CCC1)[NH+](C)C ZINC001283700911 898898046 /nfs/dbraw/zinc/89/80/46/898898046.db2.gz APNZUKIFCNJEAE-GXTWGEPZSA-N 2 0 269.433 1.563 10 0 CDAERP C[C@H]1C[N@H+](CCC[NH+]2CCCCC2)CC[C@@H]1C[NH3+] ZINC000695513952 899519027 /nfs/dbraw/zinc/51/90/27/899519027.db2.gz NIQIQEAFLLXGTR-LSDHHAIUSA-N 3 0 253.434 1.779 10 0 CDAERP CO[C@H]1C[C@H](C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)C1 ZINC000925734883 900654517 /nfs/dbraw/zinc/65/45/17/900654517.db2.gz CMACZISZXJMCSU-MPKXVKKWSA-N 2 0 263.385 1.924 10 0 CDAERP CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC=C(C)C)[NH+](C)C ZINC001268094411 901242330 /nfs/dbraw/zinc/24/23/30/901242330.db2.gz OEQKABCZBJBALQ-KBPBESRZSA-N 2 0 269.433 1.729 10 0 CDAERP CCCC[NH2+][C@H](C)[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001282156266 901552863 /nfs/dbraw/zinc/55/28/63/901552863.db2.gz BCDVQWUQUKVECN-ZIAGYGMSSA-N 2 0 281.444 1.898 10 0 CDAERP CC(C)=CC[NH+]1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001481659084 901743040 /nfs/dbraw/zinc/74/30/40/901743040.db2.gz YQGNKQRWEJNXNO-UHFFFAOYSA-N 2 0 265.401 1.096 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001481696112 901819505 /nfs/dbraw/zinc/81/95/05/901819505.db2.gz BEQBZEYVBGJTPI-VQGNRHNMSA-N 2 0 279.428 1.485 10 0 CDAERP C[C@H](CC[NH2+]Cc1cncs1)NC(=O)CC[NH+](C)C ZINC001268397452 901990817 /nfs/dbraw/zinc/99/08/17/901990817.db2.gz QCFJMKKMZSGTOB-LLVKDONJSA-N 2 0 284.429 1.079 10 0 CDAERP CCN(CC[NH2+]CC[C@H](C)F)C(=O)C1([NH+](C)C)CCC1 ZINC001268452760 902111130 /nfs/dbraw/zinc/11/11/30/902111130.db2.gz BGONOTOSQVBITK-ZDUSSCGKSA-N 2 0 287.423 1.657 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC/C=C/C[NH2+]C[C@H](C)OC)CC[N@@H+]1C ZINC001268541474 902535690 /nfs/dbraw/zinc/53/56/90/902535690.db2.gz FESQFEIUULQHPA-MNZAGANASA-N 2 0 297.443 1.014 10 0 CDAERP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)C[NH2+]CCF ZINC001482147450 902761520 /nfs/dbraw/zinc/76/15/20/902761520.db2.gz AYFZXVCMCZHADU-GFCCVEGCSA-N 2 0 273.396 1.030 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001268712142 902999795 /nfs/dbraw/zinc/99/97/95/902999795.db2.gz JDCGNOLQUBKZAK-UONOGXRCSA-N 2 0 269.433 1.633 10 0 CDAERP C[C@H](F)CC[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001268803277 903142121 /nfs/dbraw/zinc/14/21/21/903142121.db2.gz YGLXOFRGFMRKES-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP CN(CCC[NH2+]CC1CC1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001268876637 903201902 /nfs/dbraw/zinc/20/19/02/903201902.db2.gz LTYPUWOXVVQGKD-CVEARBPZSA-N 2 0 293.455 1.851 10 0 CDAERP CCOCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001268965511 903276981 /nfs/dbraw/zinc/27/69/81/903276981.db2.gz RRDUKYXFKXTUKR-GJZGRUSLSA-N 2 0 297.443 1.040 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC1CC1 ZINC001269454794 903823929 /nfs/dbraw/zinc/82/39/29/903823929.db2.gz RDTHGBZUFLZFNH-KGLIPLIRSA-N 2 0 267.417 1.365 10 0 CDAERP CC1CC[NH+](CC(=O)N2CCC[C@H]2C[NH2+]CCCF)CC1 ZINC001270159122 904406064 /nfs/dbraw/zinc/40/60/64/904406064.db2.gz MLQHNRASEUTCGR-HNNXBMFYSA-N 2 0 299.434 1.659 10 0 CDAERP COCCCC[NH2+]C[C@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001482326479 905050208 /nfs/dbraw/zinc/05/02/08/905050208.db2.gz SRRMIEMJXSIKAN-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)C(C)C ZINC001482368895 905214505 /nfs/dbraw/zinc/21/45/05/905214505.db2.gz JNFOYKPPXOKPBG-QWHCGFSZSA-N 2 0 275.412 1.511 10 0 CDAERP CCCCC[C@@H](C)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000840732918 906293652 /nfs/dbraw/zinc/29/36/52/906293652.db2.gz JHLKFAWJPAFTGS-HUUCEWRRSA-N 2 0 271.449 1.153 10 0 CDAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]CCCF ZINC001482831465 908409771 /nfs/dbraw/zinc/40/97/71/908409771.db2.gz NBXDGVHWQZEIHX-ZIAGYGMSSA-N 2 0 287.423 1.703 10 0 CDAERP CC(C)CCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482899931 908466002 /nfs/dbraw/zinc/46/60/02/908466002.db2.gz YOVOTBQXIANIIY-LSDHHAIUSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CCF)CC[N@@H+]1C ZINC001280451835 908649689 /nfs/dbraw/zinc/64/96/89/908649689.db2.gz DLQDLHBJAWUVEY-SOUVJXGZSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)=CC[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@H+]1C ZINC001482990642 908656589 /nfs/dbraw/zinc/65/65/89/908656589.db2.gz FVVZUQQDXBQKQX-ZRUQZJFASA-N 2 0 265.401 1.309 10 0 CDAERP CC[C@@H](C(=O)NC/C=C/C[NH2+]Cc1conc1C)[NH+](C)C ZINC001483059942 909194517 /nfs/dbraw/zinc/19/45/17/909194517.db2.gz AJFMNVDCUVVYIL-UZYOAWRESA-N 2 0 294.399 1.085 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC/C=C\C[NH2+]CC2CC2)C1 ZINC001483059742 909197910 /nfs/dbraw/zinc/19/79/10/909197910.db2.gz XIKJSPWLYHMAPL-ZRMMWKCHSA-N 2 0 265.401 1.000 10 0 CDAERP CCCCCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001483116508 909468021 /nfs/dbraw/zinc/46/80/21/909468021.db2.gz LETJUTUPIFNFMV-KGLIPLIRSA-N 2 0 269.433 1.755 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC(C)([NH2+]C[C@@H](C)OC)CC1 ZINC001422069815 911694743 /nfs/dbraw/zinc/69/47/43/911694743.db2.gz VKWAGRIWAMRAQA-CQSZACIVSA-N 2 0 299.459 1.334 10 0 CDAERP CN(C(=O)CCCC[NH+](C)C)C1C[NH+](CC2CC2)C1 ZINC001483889300 915186235 /nfs/dbraw/zinc/18/62/35/915186235.db2.gz VNCHSDKKHCCQFU-UHFFFAOYSA-N 2 0 267.417 1.271 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CCF)CCN1C(=O)CCCC[NH+](C)C ZINC001483915845 915187747 /nfs/dbraw/zinc/18/77/47/915187747.db2.gz IOPGKYOBFPHSCF-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001484126003 915447992 /nfs/dbraw/zinc/44/79/92/915447992.db2.gz SFJFVTSFVBPRHO-HIFRSBDPSA-N 2 0 267.417 1.176 10 0 CDAERP CCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)Cc2cnc[nH]2)C1 ZINC001484349185 915657836 /nfs/dbraw/zinc/65/78/36/915657836.db2.gz UNGVASBSJYXOOX-OLZOCXBDSA-N 2 0 278.400 1.579 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH+](C)CC)CC[N@@H+]1C ZINC001484743579 916111501 /nfs/dbraw/zinc/11/15/01/916111501.db2.gz MLVKYPVFPBJLPZ-UONOGXRCSA-N 2 0 269.433 1.517 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1C/C=C\Cl ZINC001484980519 916353401 /nfs/dbraw/zinc/35/34/01/916353401.db2.gz HCHYFBWHPCAOIX-ACOKAEEESA-N 2 0 287.835 1.660 10 0 CDAERP C[C@H](NC(=O)CCC[NH+]1CCCC1)[C@H](C)[NH2+]CC1CC1 ZINC001485231094 916687104 /nfs/dbraw/zinc/68/71/04/916687104.db2.gz ZDNUXAOGAREPNS-KBPBESRZSA-N 2 0 281.444 1.755 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H](C)C1C[NH+](C(C)C)C1 ZINC001485506622 917046175 /nfs/dbraw/zinc/04/61/75/917046175.db2.gz OTEOLWHIJXIDIO-GXTWGEPZSA-N 2 0 287.423 1.511 10 0 CDAERP CC[NH+]1CC([C@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001485526722 917065697 /nfs/dbraw/zinc/06/56/97/917065697.db2.gz NLXZZPYVFZKHCR-KBPBESRZSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[NH2+][C@@H](C)[C@@H]1CN(C(=O)CCCC[NH+](C)C)CCO1 ZINC001485648385 917152177 /nfs/dbraw/zinc/15/21/77/917152177.db2.gz HUSCEZYSTFGDSK-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)[NH2+]CCC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001485742970 917238254 /nfs/dbraw/zinc/23/82/54/917238254.db2.gz BIXHWZJHGBWICI-CYBMUJFWSA-N 2 0 267.417 1.365 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC[N@@H+](C)CC2CC2)C1 ZINC001366587473 917674744 /nfs/dbraw/zinc/67/47/44/917674744.db2.gz XCUFYLKLXAMPKQ-LSDHHAIUSA-N 2 0 281.444 1.565 10 0 CDAERP CN(CCC[NH2+]CC1CCCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001276380103 936618063 /nfs/dbraw/zinc/61/80/63/936618063.db2.gz XZPUAGWBIVPJHH-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP CN(CCC[NH2+]CC1CC1)C(=O)CC[NH+]1CCCCC1 ZINC001276399979 936624554 /nfs/dbraw/zinc/62/45/54/936624554.db2.gz TWAPKFCKANGZHR-UHFFFAOYSA-N 2 0 281.444 1.711 10 0 CDAERP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CC1CC2(CCC2)C1 ZINC001485919742 920574642 /nfs/dbraw/zinc/57/46/42/920574642.db2.gz OOWNXYJDXYPKBA-CQSZACIVSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2cnc[nH]2)C1 ZINC001486123414 920731156 /nfs/dbraw/zinc/73/11/56/920731156.db2.gz BOVLSNVPRAKHJO-DZGCQCFKSA-N 2 0 292.427 1.967 10 0 CDAERP CCCC[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC001486240168 920836319 /nfs/dbraw/zinc/83/63/19/920836319.db2.gz JRNWBIUCNMTRCL-KGLIPLIRSA-N 2 0 281.444 1.707 10 0 CDAERP CCC[N@H+](C)C[C@H](O)CN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001486341483 920917468 /nfs/dbraw/zinc/91/74/68/920917468.db2.gz RHMBNTXPYKQLMH-GJZGRUSLSA-N 2 0 299.459 1.022 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CC[C@H]3C[NH+](C)C[C@H]32)C1 ZINC001649359555 1169236417 /nfs/dbraw/zinc/23/64/17/1169236417.db2.gz LIABHCGADJYTRF-CAOSSQGBSA-N 2 0 293.455 1.565 10 0 CDAERP COCC[N@@H+](CC=C(C)C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001486427035 921000578 /nfs/dbraw/zinc/00/05/78/921000578.db2.gz HETMEKQEDAELFL-OAHLLOKOSA-N 2 0 297.443 1.111 10 0 CDAERP CCN(CC[NH2+]CCC(C)C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001273609977 922269970 /nfs/dbraw/zinc/26/99/70/922269970.db2.gz GCYVZZVCCHALQL-OAHLLOKOSA-N 2 0 283.460 1.812 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(C(=O)[C@H]2C[NH2+]CC2(C)C)C1 ZINC000711301865 923468424 /nfs/dbraw/zinc/46/84/24/923468424.db2.gz LVCLZJFQELZJHR-QWHCGFSZSA-N 2 0 267.417 1.175 10 0 CDAERP Cc1noc(CCC[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000923494130 923881240 /nfs/dbraw/zinc/88/12/40/923881240.db2.gz KNYNIRHKWTXQQK-PWSUYJOCSA-N 2 0 252.362 1.227 10 0 CDAERP C[NH2+]CCC[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923507146 923885795 /nfs/dbraw/zinc/88/57/95/923885795.db2.gz NIXFVSKSIASWFL-AWEZNQCLSA-N 3 0 253.434 1.698 10 0 CDAERP O=C1N[C@H](C2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)CO1 ZINC000923525068 923903513 /nfs/dbraw/zinc/90/35/13/923903513.db2.gz CVRPTQXFJNUYPW-OCCSQVGLSA-N 2 0 281.400 1.197 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NCC[NH+]1CCC(C)CC1 ZINC001141643320 936914381 /nfs/dbraw/zinc/91/43/81/936914381.db2.gz NSMNVXGCMJRWHM-AWEZNQCLSA-N 2 0 269.433 1.422 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001491457261 936919822 /nfs/dbraw/zinc/91/98/22/936919822.db2.gz PGRNPVXPOBUICA-DZGCQCFKSA-N 2 0 279.428 1.389 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCn2cncc2C1 ZINC001491508478 936926474 /nfs/dbraw/zinc/92/64/74/936926474.db2.gz UJNSEDZGQSEAAM-UONOGXRCSA-N 2 0 290.411 1.506 10 0 CDAERP CCN(CC[NH2+]C/C=C/Cl)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001273751967 925214636 /nfs/dbraw/zinc/21/46/36/925214636.db2.gz AXTIHWHXAXEJRW-FVOPLDGLSA-N 2 0 273.808 1.129 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001410212811 925408287 /nfs/dbraw/zinc/40/82/87/925408287.db2.gz AGYPWWJEWFNKDS-BPLDGKMQSA-N 2 0 299.434 1.561 10 0 CDAERP CCN(C(=O)C[NH+]1CC[C@@H](C)C1)[C@H]1CC[N@H+](CC2CC2)C1 ZINC001494910268 926081629 /nfs/dbraw/zinc/08/16/29/926081629.db2.gz MFPBHDLICLEHRS-ZBFHGGJFSA-N 2 0 293.455 1.661 10 0 CDAERP CCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001488684249 926647692 /nfs/dbraw/zinc/64/76/92/926647692.db2.gz WXGKCJYRRDGDQX-HNNXBMFYSA-N 2 0 293.455 1.805 10 0 CDAERP CC[N@H+](C)CCOCCN(C)C(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001489223076 926846419 /nfs/dbraw/zinc/84/64/19/926846419.db2.gz SECGFBCUDJBNJB-GASCZTMLSA-N 2 0 299.459 1.286 10 0 CDAERP CC[C@@H](F)C[NH2+]C1CC(N(C)C(=O)CCC[NH+](C)C)C1 ZINC001411248969 927309492 /nfs/dbraw/zinc/30/94/92/927309492.db2.gz UFCQXUSUWXYUGG-IYXRBSQSSA-N 2 0 287.423 1.655 10 0 CDAERP [NH3+]C1(CNC(=O)C=C2CC[NH2+]CC2)CCCCCC1 ZINC000852792742 927874270 /nfs/dbraw/zinc/87/42/70/927874270.db2.gz BKDNIBVRZARSSJ-UHFFFAOYSA-N 2 0 265.401 1.464 10 0 CDAERP Cc1cc([C@@H]([NH3+])CC(=O)N[C@]2(C)CC[NH2+]C2)cc(Cl)n1 ZINC000852929263 927918747 /nfs/dbraw/zinc/91/87/47/927918747.db2.gz YWZRGUJGURWKEW-SMDDNHRTSA-N 2 0 296.802 1.302 10 0 CDAERP CCOC[C@H](O)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000692873006 937235817 /nfs/dbraw/zinc/23/58/17/937235817.db2.gz NKCAYXPYVUSTTM-LSDHHAIUSA-N 2 0 270.417 1.095 10 0 CDAERP CCOC(=O)C1=CC[C@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000858504586 928875424 /nfs/dbraw/zinc/87/54/24/928875424.db2.gz UPJSOOOHAZOIHH-WFASDCNBSA-N 2 0 280.412 1.958 10 0 CDAERP COCC[N@H+](C)CCC[NH2+]CC1(O)CCCCC1 ZINC000818958544 930742279 /nfs/dbraw/zinc/74/22/79/930742279.db2.gz QGCWYPALGYRUCE-UHFFFAOYSA-N 2 0 258.406 1.240 10 0 CDAERP CC(C)[NH2+]C[C@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001275189344 931693253 /nfs/dbraw/zinc/69/32/53/931693253.db2.gz FXAWFBHJGMBVOF-STQMWFEESA-N 2 0 255.406 1.364 10 0 CDAERP [NH3+]CC1(CC[NH2+]Cc2cn(-c3ccccc3)nn2)CC1 ZINC000844902853 931722234 /nfs/dbraw/zinc/72/22/34/931722234.db2.gz UUTHCAOQLQCSMH-UHFFFAOYSA-N 2 0 271.368 1.486 10 0 CDAERP CC(C)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001275482796 931824285 /nfs/dbraw/zinc/82/42/85/931824285.db2.gz VZOUTNDQAGVTJL-QWHCGFSZSA-N 2 0 269.433 1.467 10 0 CDAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)CC1CCC1 ZINC001276003218 932223855 /nfs/dbraw/zinc/22/38/55/932223855.db2.gz QFKOKKGXNKGDKE-ZDUSSCGKSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@@H]([NH+](C)C)C23CCC3)C1 ZINC001412389639 932404703 /nfs/dbraw/zinc/40/47/03/932404703.db2.gz AXBPOLICJGCNNZ-HZSPNIEDSA-N 2 0 279.428 1.317 10 0 CDAERP CN(CCC[NH2+]CCF)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001276053294 932475841 /nfs/dbraw/zinc/47/58/41/932475841.db2.gz VOFMDTOAXDHPFK-CYBMUJFWSA-N 2 0 273.396 1.268 10 0 CDAERP C[NH2+]C1CCN(C(=O)c2ccc3c(c2)C[NH2+]C3)CC1 ZINC001118202699 937602370 /nfs/dbraw/zinc/60/23/70/937602370.db2.gz BIRUOGHGYPBFBY-UHFFFAOYSA-N 2 0 259.353 1.114 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)CC[NH+](C)C)C[C@@H]1C ZINC001412578697 932516881 /nfs/dbraw/zinc/51/68/81/932516881.db2.gz NQQHBIDSRLNRST-ILXRZTDVSA-N 2 0 283.460 1.905 10 0 CDAERP CCCC[C@H](C[NH2+]CC)NC(=O)C[NH+]1CCCC1 ZINC001276268822 932700991 /nfs/dbraw/zinc/70/09/91/932700991.db2.gz MSLMKIDMMCDXDU-CYBMUJFWSA-N 2 0 255.406 1.367 10 0 CDAERP C[C@@H]([NH2+]C[C@@H]1CCC2(CCOCC2)CO1)C1C[NH2+]C1 ZINC000925736737 932934995 /nfs/dbraw/zinc/93/49/95/932934995.db2.gz ODQDDPIDTMVZIY-OCCSQVGLSA-N 2 0 268.401 1.160 10 0 CDAERP O=C1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CN1CC1CC1 ZINC000925771790 932937726 /nfs/dbraw/zinc/93/77/26/932937726.db2.gz OLBXRDQALABWPA-XUWVNRHRSA-N 2 0 291.439 1.508 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@@H]2CCCNc3ccccc32)CC1 ZINC000925811260 932940331 /nfs/dbraw/zinc/94/03/31/932940331.db2.gz HPAQAVHJUURJCW-QGZVFWFLSA-N 2 0 288.439 1.946 10 0 CDAERP Cc1nc([C@H](C)[NH2+]CCN2CCC([NH3+])CC2)cs1 ZINC000925817156 932941713 /nfs/dbraw/zinc/94/17/13/932941713.db2.gz NZHYFWZZKSAHLE-JTQLQIEISA-N 2 0 268.430 1.525 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000926330322 932982402 /nfs/dbraw/zinc/98/24/02/932982402.db2.gz LNTPBQBJILSMQP-MGNMYUMUSA-N 2 0 297.487 1.948 10 0 CDAERP C[NH+](C)CC1CC[NH+](C[C@@H]2C[C@H]3COC[C@H]3O2)CC1 ZINC000929283571 933220884 /nfs/dbraw/zinc/22/08/84/933220884.db2.gz SLPXNVIHMARJOV-SOUVJXGZSA-N 2 0 268.401 1.064 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)CCCCC[NH3+])[C@H](C)C1 ZINC000155782408 934235657 /nfs/dbraw/zinc/23/56/57/934235657.db2.gz DCFDGTFVTIGQRQ-ZIAGYGMSSA-N 2 0 269.433 1.694 10 0 CDAERP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000720879337 935259637 /nfs/dbraw/zinc/25/96/37/935259637.db2.gz JBYONECVYJNAMF-SDDRHHMPSA-N 2 0 253.390 1.055 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]CCCF)C2CCCC2)C1 ZINC001278289677 945336765 /nfs/dbraw/zinc/33/67/65/945336765.db2.gz XSKWOIULXTXWMQ-LSDHHAIUSA-N 2 0 299.434 1.562 10 0 CDAERP COCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001276851336 941642196 /nfs/dbraw/zinc/64/21/96/941642196.db2.gz AUEMTPMHXMBHCW-CABCVRRESA-N 2 0 297.443 1.086 10 0 CDAERP CCN(CC[NH2+]Cc1cncs1)C(=O)CC[NH+](C)C ZINC001568772488 1169469548 /nfs/dbraw/zinc/46/95/48/1169469548.db2.gz XNAXTBGXIOAUFI-UHFFFAOYSA-N 2 0 284.429 1.033 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001362092388 970876263 /nfs/dbraw/zinc/87/62/63/970876263.db2.gz VHCHFKIRNIGOQE-ZIAGYGMSSA-N 2 0 285.407 1.411 10 0 CDAERP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001362123919 970915161 /nfs/dbraw/zinc/91/51/61/970915161.db2.gz GTKPWJOIYHTOIH-MGPQQGTHSA-N 2 0 285.407 1.409 10 0 CDAERP CC[C@H](C(=O)NC[C@H]1CCCCC[N@@H+]1CC)[NH+](C)C ZINC001282677765 942737861 /nfs/dbraw/zinc/73/78/61/942737861.db2.gz HBLXNWKBAQPFLN-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP CCOCCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001283631397 942952225 /nfs/dbraw/zinc/95/22/25/942952225.db2.gz KBJBHTIFWYDIMS-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N(C)C[C@H]2CCC[NH+](C)C2)C1 ZINC001362153620 970952389 /nfs/dbraw/zinc/95/23/89/970952389.db2.gz FENSFFJPAXLPLZ-HOTGVXAUSA-N 2 0 295.471 1.907 10 0 CDAERP CC(C)CCC[NH2+][C@@H]1CCN(C(=O)Cc2cnc[nH]2)[C@@H]1C ZINC001283913454 943024067 /nfs/dbraw/zinc/02/40/67/943024067.db2.gz MNXKYGVOECPSGE-UKRRQHHQSA-N 2 0 292.427 1.967 10 0 CDAERP CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001277693177 943342548 /nfs/dbraw/zinc/34/25/48/943342548.db2.gz JFBGVQZMFKSFLN-JSGCOSHPSA-N 2 0 267.417 1.175 10 0 CDAERP COCCCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001277865119 943890576 /nfs/dbraw/zinc/89/05/76/943890576.db2.gz XOZJWHFJVYOAQQ-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001263811899 943982781 /nfs/dbraw/zinc/98/27/81/943982781.db2.gz CCNLQKQYYUMJJZ-UONOGXRCSA-N 2 0 267.417 1.269 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)[C@@H](C)CC[NH+](C)C)CC1 ZINC001362246192 971067670 /nfs/dbraw/zinc/06/76/70/971067670.db2.gz YMFPZOYOQUAFHU-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H](O)CCC[NH2+]C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001265681638 944468321 /nfs/dbraw/zinc/46/83/21/944468321.db2.gz DRVQYCTUGNRZFN-LSDHHAIUSA-N 2 0 299.459 1.070 10 0 CDAERP C[C@@H](CCNC(=O)CC[NH+](C)C)[NH2+]CC1CC(C)C1 ZINC001266172407 944731305 /nfs/dbraw/zinc/73/13/05/944731305.db2.gz GGQQRJSAGPUIJS-MOKVOYLWSA-N 2 0 269.433 1.469 10 0 CDAERP CC(C)=CCN1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001261281864 946032508 /nfs/dbraw/zinc/03/25/08/946032508.db2.gz NNNFJVLUXCHAEP-MRXNPFEDSA-N 2 0 293.455 1.970 10 0 CDAERP CC[N@@H+]1CC[C@@H]1C(=O)N(C)CCC[NH+](C)Cc1ccco1 ZINC001362423963 971256547 /nfs/dbraw/zinc/25/65/47/971256547.db2.gz CVAWOTNSZDFKOK-OAHLLOKOSA-N 2 0 293.411 1.654 10 0 CDAERP CCOCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001278415653 947814568 /nfs/dbraw/zinc/81/45/68/947814568.db2.gz ZOCHUGXKEANCCO-GDBMZVCRSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001479867192 971462287 /nfs/dbraw/zinc/46/22/87/971462287.db2.gz XGFWWHSSXKMLRR-OAHLLOKOSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCF ZINC001569004645 1169590161 /nfs/dbraw/zinc/59/01/61/1169590161.db2.gz QADJCXVRJQDIJC-OLZOCXBDSA-N 2 0 273.396 1.171 10 0 CDAERP CC[C@H](F)C[NH2+][C@@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001480045737 971552004 /nfs/dbraw/zinc/55/20/04/971552004.db2.gz YEVNTHCSECDNCK-GJZGRUSLSA-N 2 0 299.434 1.561 10 0 CDAERP Cc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)c1 ZINC001480157575 971607353 /nfs/dbraw/zinc/60/73/53/971607353.db2.gz WTTHRNSCGWAKIV-WKILWMFISA-N 2 0 289.423 1.684 10 0 CDAERP C[N@@H+]1CCN(C(=O)CC[NH+]2CC[C@@H](F)C2)C[C@H]1C(C)(C)C ZINC001362981684 971784526 /nfs/dbraw/zinc/78/45/26/971784526.db2.gz XCZDWYGOPJXAAL-KGLIPLIRSA-N 2 0 299.434 1.609 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001480597729 971800258 /nfs/dbraw/zinc/80/02/58/971800258.db2.gz SYPZYOFHNYGLPD-KGLIPLIRSA-N 2 0 299.459 1.236 10 0 CDAERP O=C(CC[N@H+]1CC[C@@H](F)C1)N1CCC([NH+]2CCC2)CC1 ZINC001362997674 971802003 /nfs/dbraw/zinc/80/20/03/971802003.db2.gz JABXZXULALZTNG-CYBMUJFWSA-N 2 0 283.391 1.117 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH+]1CC[C@H](F)C1 ZINC001363037675 971833620 /nfs/dbraw/zinc/83/36/20/971833620.db2.gz DXSZIEAFSFXCNI-QWHCGFSZSA-N 2 0 271.380 1.021 10 0 CDAERP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CC(C)(C)C1 ZINC001480808210 971886987 /nfs/dbraw/zinc/88/69/87/971886987.db2.gz DZTRMPIFNRMMMJ-UKRRQHHQSA-N 2 0 295.471 1.859 10 0 CDAERP CC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)CC1CC1 ZINC001493001099 971923430 /nfs/dbraw/zinc/92/34/30/971923430.db2.gz JJNMIMBBTGTRGK-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[N@H+](CCCF)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001493291634 972010206 /nfs/dbraw/zinc/01/02/06/972010206.db2.gz SIVXTIWFCRMCBL-HNNXBMFYSA-N 2 0 299.434 1.516 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCCN(CCF)C2CC2)C1 ZINC001493434952 972049298 /nfs/dbraw/zinc/04/92/98/972049298.db2.gz FPMVPRBDVDHZAY-DZGCQCFKSA-N 2 0 299.434 1.657 10 0 CDAERP CCC[N@@H+]1CCCC[C@H]1C(=O)N1CC2CC1(C[NH3+])C2 ZINC001327614690 954960696 /nfs/dbraw/zinc/96/06/96/954960696.db2.gz XGLWNDZZOMAUMW-OWYJLGKBSA-N 2 0 265.401 1.201 10 0 CDAERP OC1(C[NH+]2CCCCC2)CC[NH+](C[C@H]2CCOC2)CC1 ZINC001363311857 972077432 /nfs/dbraw/zinc/07/74/32/972077432.db2.gz MCJNHQQITLGDSW-OAHLLOKOSA-N 2 0 282.428 1.336 10 0 CDAERP CC/C=C/CC[NH2+][C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001491570253 955310069 /nfs/dbraw/zinc/31/00/69/955310069.db2.gz ZYXQWOPRMAMJJD-GJBLVYBDSA-N 2 0 281.444 1.779 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](C[NH2+]CC2CC2)C1 ZINC001421564649 955408101 /nfs/dbraw/zinc/40/81/01/955408101.db2.gz WZYVZCBIBXWYHD-DZGCQCFKSA-N 2 0 281.444 1.422 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](CC3CCC3)C[C@@H]2C1 ZINC001421570552 955415711 /nfs/dbraw/zinc/41/57/11/955415711.db2.gz BSWPXWRMQNUETF-IYBDPMFKSA-N 2 0 293.455 1.517 10 0 CDAERP CN(C)[C@@H](C(=O)N[C@@H]1C[N@H+](C)CC1(C)C)c1ccccc1 ZINC001364956125 955417165 /nfs/dbraw/zinc/41/71/65/955417165.db2.gz RIKDRNQHAWALPS-HUUCEWRRSA-N 2 0 289.423 1.746 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001328753033 955455449 /nfs/dbraw/zinc/45/54/49/955455449.db2.gz OFINWQHFZGKKLF-JKSUJKDBSA-N 2 0 293.455 1.970 10 0 CDAERP C[C@H](F)CC[NH+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001421671360 955465719 /nfs/dbraw/zinc/46/57/19/955465719.db2.gz XHXIVVXVAKCOKB-AWEZNQCLSA-N 2 0 299.434 1.611 10 0 CDAERP Cc1cccc(C[NH2+]C[C@H](C)CNC(=O)CC[NH+](C)C)c1 ZINC001421745821 955520491 /nfs/dbraw/zinc/52/04/91/955520491.db2.gz QGCWPQXQGPMNLR-HNNXBMFYSA-N 2 0 291.439 1.789 10 0 CDAERP COC[C@H](C)[N@H+](C)CCCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001421892694 955633833 /nfs/dbraw/zinc/63/38/33/955633833.db2.gz NUUYWVXDNMGTRN-GJZGRUSLSA-N 2 0 299.459 1.143 10 0 CDAERP CCC[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001493806404 972116661 /nfs/dbraw/zinc/11/66/61/972116661.db2.gz IURYYSIXEGWRPN-CYBMUJFWSA-N 2 0 255.406 1.319 10 0 CDAERP C[C@@H]([NH2+]CCCF)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001329111272 955695084 /nfs/dbraw/zinc/69/50/84/955695084.db2.gz RGLYVVCAMCGPRJ-NEPJUHHUSA-N 2 0 273.396 1.171 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCF)[C@H](C)C1 ZINC001422024512 955706924 /nfs/dbraw/zinc/70/69/24/955706924.db2.gz FVOAGKCGXAIDDI-CHWSQXEVSA-N 2 0 273.396 1.123 10 0 CDAERP CC/C=C\CC[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001492215084 955714947 /nfs/dbraw/zinc/71/49/47/955714947.db2.gz LQGKBKVVUWTVBF-GXMNPTEKSA-N 2 0 267.417 1.485 10 0 CDAERP C[C@@H]([NH2+]CCCF)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001493837524 972123596 /nfs/dbraw/zinc/12/35/96/972123596.db2.gz VCOZYLOBSJAZGG-CYBMUJFWSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]C/C=C\Cl ZINC001422154305 955794523 /nfs/dbraw/zinc/79/45/23/955794523.db2.gz PKUAITUOQMNSMH-AAMHTLBISA-N 2 0 287.835 1.708 10 0 CDAERP CCCC[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001422197132 955833055 /nfs/dbraw/zinc/83/30/55/955833055.db2.gz ISPRQCQTYZQTJN-GJZGRUSLSA-N 2 0 283.460 1.907 10 0 CDAERP CC/C=C/CC[N@H+](C)[C@H](C)CNC(=O)Cn1ccnc1 ZINC001329627453 956029827 /nfs/dbraw/zinc/02/98/27/956029827.db2.gz GOVOAEBKCLDGAZ-VBROQKIQSA-N 2 0 278.400 1.676 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)CC1CC(C)(C)C1 ZINC001422477840 956057292 /nfs/dbraw/zinc/05/72/92/956057292.db2.gz GKGWGJWAMVFSNX-DZGCQCFKSA-N 2 0 295.471 1.953 10 0 CDAERP CCCC[NH+]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001365625378 956242266 /nfs/dbraw/zinc/24/22/66/956242266.db2.gz DHZHOXMLZHQRGF-HNNXBMFYSA-N 2 0 279.428 1.273 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@@H]1[C@H]2C[NH+](CC=C(C)C)C[C@H]21 ZINC001330358862 956393651 /nfs/dbraw/zinc/39/36/51/956393651.db2.gz DWGGRMHNZKDMDN-PHZGNYQRSA-N 2 0 293.455 1.588 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)CCC1CC1 ZINC001317471617 956415329 /nfs/dbraw/zinc/41/53/29/956415329.db2.gz MOIJEJODIRSZHU-UHFFFAOYSA-N 2 0 255.406 1.175 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCCF)C[C@H]2C1 ZINC001422886550 956428383 /nfs/dbraw/zinc/42/83/83/956428383.db2.gz YDPIEEWOTLJBIX-RRFJBIMHSA-N 2 0 299.434 1.514 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccon2)[C@@H]1C ZINC001365910844 956438766 /nfs/dbraw/zinc/43/87/66/956438766.db2.gz MKADHLYIFQPGQA-OCCSQVGLSA-N 2 0 294.399 1.095 10 0 CDAERP CC(C)CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001366030853 956523686 /nfs/dbraw/zinc/52/36/86/956523686.db2.gz ROWONILYISQEJM-LSDHHAIUSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001366099975 956560919 /nfs/dbraw/zinc/56/09/19/956560919.db2.gz UFKSXCMWADCRTP-JSGCOSHPSA-N 2 0 285.407 1.267 10 0 CDAERP O=C(N[C@H]1C[C@H]([NH2+]C/C=C/Cl)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001366116313 956575626 /nfs/dbraw/zinc/57/56/26/956575626.db2.gz MGLNQQZBTWTSIZ-NOIDCIFBSA-N 2 0 297.830 1.318 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001366155227 956610168 /nfs/dbraw/zinc/61/01/68/956610168.db2.gz LFFBBFUDSCMZJA-GASCZTMLSA-N 2 0 281.444 1.755 10 0 CDAERP CCC[NH2+]C1(CNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001423245500 956684633 /nfs/dbraw/zinc/68/46/33/956684633.db2.gz NSRNOVFBDLBNOU-UHFFFAOYSA-N 2 0 279.428 1.511 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CCc1cccs1 ZINC001366319287 956739910 /nfs/dbraw/zinc/73/99/10/956739910.db2.gz CAFNEFKEHPYWMF-LBPRGKRZSA-N 2 0 283.441 1.337 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CC[C@@H](C)F)C1)[NH+](C)C ZINC001424442501 957238134 /nfs/dbraw/zinc/23/81/34/957238134.db2.gz VFFSPLVWLMFEHD-MGPQQGTHSA-N 2 0 287.423 1.655 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCCCCF)C2)C1 ZINC001317125945 957290148 /nfs/dbraw/zinc/29/01/48/957290148.db2.gz GBCJOERHXRSPRC-MELADBBJSA-N 2 0 285.407 1.315 10 0 CDAERP C[NH+](C)CCC(=O)NC1CC(C[NH2+]Cc2ccns2)C1 ZINC001424732953 957324195 /nfs/dbraw/zinc/32/41/95/957324195.db2.gz UEBHGTOPYMEWOG-UHFFFAOYSA-N 2 0 296.440 1.079 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CCCC[N@@H+]1CC1CC1 ZINC001317179672 957326104 /nfs/dbraw/zinc/32/61/04/957326104.db2.gz WTNJNRQRPXDYAS-CQSZACIVSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)OCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001332024547 957406496 /nfs/dbraw/zinc/40/64/96/957406496.db2.gz FARSXNQKHINLQS-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)CC1CC1 ZINC001424935817 957414834 /nfs/dbraw/zinc/41/48/34/957414834.db2.gz GHVBXDOSXBDXQN-DZGCQCFKSA-N 2 0 281.444 1.706 10 0 CDAERP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[N@@H+](C)CC[C@H](C)F ZINC001424995081 957439319 /nfs/dbraw/zinc/43/93/19/957439319.db2.gz GVZWRDKJWDZLML-QWHCGFSZSA-N 2 0 287.423 1.513 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)N(C)Cc1ccns1 ZINC001425017720 957444809 /nfs/dbraw/zinc/44/48/09/957444809.db2.gz WAJCCIOIRJLOFI-NSHDSACASA-N 2 0 284.429 1.031 10 0 CDAERP COCCC[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001332203028 957477384 /nfs/dbraw/zinc/47/73/84/957477384.db2.gz ZTKWRTFQFBJFSE-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC2(C1)CCC[NH+](CC1CC1)C2 ZINC001425384000 957523152 /nfs/dbraw/zinc/52/31/52/957523152.db2.gz MFBHIGGKRSMAEM-UHFFFAOYSA-N 2 0 293.455 1.661 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCF)C[C@H]2C1 ZINC001425386056 957523655 /nfs/dbraw/zinc/52/36/55/957523655.db2.gz XIXZQZHZPPSSQP-BFHYXJOUSA-N 2 0 285.407 1.124 10 0 CDAERP CC[NH2+][C@H]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001367195626 957835478 /nfs/dbraw/zinc/83/54/78/957835478.db2.gz OLIYHIPWHWREAX-HDJSIYSDSA-N 2 0 297.443 1.134 10 0 CDAERP CN(CC[N@H+](C)CCC(C)(C)C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001367555079 958132565 /nfs/dbraw/zinc/13/25/65/958132565.db2.gz YDWGTVBWTNDBNN-AWEZNQCLSA-N 2 0 283.460 1.765 10 0 CDAERP CC[NH2+]CCOCCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001333259261 958193938 /nfs/dbraw/zinc/19/39/38/958193938.db2.gz MLKYDMFTEJKRQN-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CCC2CC2)C1 ZINC001319129841 958388837 /nfs/dbraw/zinc/38/88/37/958388837.db2.gz KGRKPBYVEJHDEB-HUUCEWRRSA-N 2 0 279.428 1.319 10 0 CDAERP C[C@H](C[N@H+](C)CCC1CC1)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001367840366 958423120 /nfs/dbraw/zinc/42/31/20/958423120.db2.gz XXULRBMHCJTPAB-ZIAGYGMSSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@H](C[N@H+](C)CCC(C)(C)C)NC(=O)C[NH+]1CCCC1 ZINC001367854461 958436600 /nfs/dbraw/zinc/43/66/00/958436600.db2.gz ILLCUDPPFKBYFI-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP COCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001319618883 958658537 /nfs/dbraw/zinc/65/85/37/958658537.db2.gz HMSXCWIOGIZFFC-CABCVRRESA-N 2 0 299.459 1.238 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@]1(C)CCC[NH+](C(C)C)C1 ZINC001368217579 958707542 /nfs/dbraw/zinc/70/75/42/958707542.db2.gz BMGNRNGFWCZBDC-INIZCTEOSA-N 2 0 283.460 1.953 10 0 CDAERP CC1CC(C[N@H+]2C[C@H]3CN(C(=O)CC[NH+](C)C)C[C@H]3C2)C1 ZINC001368357082 958783210 /nfs/dbraw/zinc/78/32/10/958783210.db2.gz YTSBGJNITCYJAS-STONLHKKSA-N 2 0 293.455 1.374 10 0 CDAERP CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CCC1 ZINC001368486251 958895447 /nfs/dbraw/zinc/89/54/47/958895447.db2.gz KSLGLYDVPXOGLX-KBPBESRZSA-N 2 0 281.444 1.755 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC(C)([NH2+]C[C@@H](C)OC)CC1 ZINC001368664853 959029632 /nfs/dbraw/zinc/02/96/32/959029632.db2.gz SJQHNZQXMKOZTE-CQSZACIVSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@@H](CCNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]C/C=C/Cl ZINC001368740988 959094860 /nfs/dbraw/zinc/09/48/60/959094860.db2.gz IMZFTZDFFRVYHX-SLEPRMHMSA-N 2 0 287.835 1.565 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CC[NH2+]CCCF)CC[N@@H+]1C ZINC001320421466 959158069 /nfs/dbraw/zinc/15/80/69/959158069.db2.gz KAAHOZYIJNZSJN-MELADBBJSA-N 2 0 287.423 1.561 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(C)C ZINC001495109521 972410835 /nfs/dbraw/zinc/41/08/35/972410835.db2.gz VKCJVJFDIQKIKC-CHWSQXEVSA-N 2 0 255.406 1.079 10 0 CDAERP CC(C)CC[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001371215097 972420094 /nfs/dbraw/zinc/42/00/94/972420094.db2.gz XDWRVHUDEOKATA-KGLIPLIRSA-N 2 0 271.449 1.713 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCNc2ncccn2)CC1(C)C ZINC001334891027 959437124 /nfs/dbraw/zinc/43/71/24/959437124.db2.gz QONAYLRWKSJBRV-ZDUSSCGKSA-N 2 0 277.416 1.741 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccccc1 ZINC001371246078 972432645 /nfs/dbraw/zinc/43/26/45/972432645.db2.gz WJXQVFYLKYFIJO-GOEBONIOSA-N 2 0 289.423 1.765 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001321522799 959833175 /nfs/dbraw/zinc/83/31/75/959833175.db2.gz STURVZGZSFQHJP-HIFRSBDPSA-N 2 0 281.444 1.469 10 0 CDAERP C[C@@H]1[C@H](C(=O)NC[C@@H]([NH2+]CC2CC2)C2CC2)CC[N@@H+]1C ZINC001370173896 960017446 /nfs/dbraw/zinc/01/74/46/960017446.db2.gz NXHGIWTUABOYNK-KCPJHIHWSA-N 2 0 279.428 1.221 10 0 CDAERP Cc1nc[nH]c1CC(=O)N[C@@H](C)C[NH2+]CCCC(C)C ZINC001322060365 960071749 /nfs/dbraw/zinc/07/17/49/960071749.db2.gz PYRRPUAOTGVDJI-LBPRGKRZSA-N 2 0 280.416 1.791 10 0 CDAERP COCCC[N@H+](C)C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001322195435 960127007 /nfs/dbraw/zinc/12/70/07/960127007.db2.gz GGOWRJQCYRYJSG-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001370566538 960146129 /nfs/dbraw/zinc/14/61/29/960146129.db2.gz UEWIWXOMLYWFCA-RBSFLKMASA-N 2 0 299.434 1.847 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH+](C)CC=C(C)C ZINC001322274969 960162172 /nfs/dbraw/zinc/16/21/72/960162172.db2.gz SEQNUVXHZFCMNF-CQSZACIVSA-N 2 0 269.433 1.731 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]C/C=C/Cl)C2CC2)C1 ZINC001323109417 960461050 /nfs/dbraw/zinc/46/10/50/960461050.db2.gz SDSXRGHJYXIMSG-NLNDZEDMSA-N 2 0 285.819 1.175 10 0 CDAERP Cc1cc(C[NH2+][C@@H](C)CNC(=O)C[NH+]2CCCC2)sn1 ZINC001371466352 972522291 /nfs/dbraw/zinc/52/22/91/972522291.db2.gz CSKUHTLQMJXAQO-LBPRGKRZSA-N 2 0 296.440 1.142 10 0 CDAERP c1cc(C[NH2+]CCOc2cccnc2)n(-c2cc[nH+]cc2)n1 ZINC001560336874 960929990 /nfs/dbraw/zinc/92/99/90/960929990.db2.gz HINQGGRPFMDXPH-UHFFFAOYSA-N 2 0 295.346 1.831 10 0 CDAERP CCCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@H+](C[C@H](C)O)C1 ZINC001418877956 961121836 /nfs/dbraw/zinc/12/18/36/961121836.db2.gz VWHVBWRRMAXXCB-LSDHHAIUSA-N 2 0 299.459 1.020 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CCF)C1 ZINC001418891718 961138434 /nfs/dbraw/zinc/13/84/34/961138434.db2.gz PMHSCNQSZQVVSE-GJZGRUSLSA-N 2 0 299.434 1.659 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CCC(C)([NH+]2CCC2)CC1 ZINC001434326434 961165196 /nfs/dbraw/zinc/16/51/96/961165196.db2.gz SRDSQPLNFIHGPA-CQSZACIVSA-N 2 0 281.444 1.661 10 0 CDAERP C[NH+](C)CC[C@@H]1CCN(C(=O)C2CC[NH+](C3CC3)CC2)C1 ZINC001434356997 961196207 /nfs/dbraw/zinc/19/62/07/961196207.db2.gz ZDZFLIGXZKQAKS-CQSZACIVSA-N 2 0 293.455 1.661 10 0 CDAERP CC(C)CC[NH+]1CC(CNC(=O)CCc2c[nH]cn2)C1 ZINC001419017899 961272748 /nfs/dbraw/zinc/27/27/48/961272748.db2.gz WXTKOMHPJOCBAA-UHFFFAOYSA-N 2 0 278.400 1.436 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001419507855 961776241 /nfs/dbraw/zinc/77/62/41/961776241.db2.gz UYFUKGNUGYBYFH-HZSPNIEDSA-N 2 0 281.444 1.754 10 0 CDAERP O=C(C[NH+]1CCCC1)NCC1([NH2+]CC2CC2)CCCC1 ZINC001419621092 961876449 /nfs/dbraw/zinc/87/64/49/961876449.db2.gz PMEDEQCWTLWKGC-UHFFFAOYSA-N 2 0 279.428 1.511 10 0 CDAERP CC[C@H](F)C[NH2+][C@@H]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001436418081 962243380 /nfs/dbraw/zinc/24/33/80/962243380.db2.gz YMUXIZWIZOFTBE-SOUVJXGZSA-N 2 0 299.434 1.705 10 0 CDAERP CN(CC[N@H+](C)CC1CC(C)(C)C1)C(=O)C[NH+]1CCCC1 ZINC001420048836 962416915 /nfs/dbraw/zinc/41/69/15/962416915.db2.gz FZBFUHRSRMBRTJ-UHFFFAOYSA-N 2 0 295.471 1.909 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C1)[NH+](C)C ZINC001436902077 962486795 /nfs/dbraw/zinc/48/67/95/962486795.db2.gz SJODNUOTLPDUMM-RBSFLKMASA-N 2 0 295.471 2.000 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CCNC(=O)COC1CC[NH+](C)CC1 ZINC001420155464 962511567 /nfs/dbraw/zinc/51/15/67/962511567.db2.gz NRNHYRNXGYUXPJ-AWEZNQCLSA-N 2 0 299.459 1.238 10 0 CDAERP CC[NH2+]C1CCC(NC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001437087983 962593906 /nfs/dbraw/zinc/59/39/06/962593906.db2.gz MZPPVHKMLWCBLV-RUXDESIVSA-N 2 0 287.423 1.703 10 0 CDAERP CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]CCF)[NH+]1CCCC1 ZINC001437262875 962776692 /nfs/dbraw/zinc/77/66/92/962776692.db2.gz GWFCWKYQOUYVOF-STQMWFEESA-N 2 0 273.396 1.171 10 0 CDAERP CC[N@H+](CCNC(=O)CC[NH+](C)C)C[C@H]1CCO[C@H](C)C1 ZINC001420429477 962901506 /nfs/dbraw/zinc/90/15/06/962901506.db2.gz YOYYDUPBOUCEGL-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001437481773 962942872 /nfs/dbraw/zinc/94/28/72/962942872.db2.gz FIQNQIXYDYSPIR-AWEZNQCLSA-N 2 0 299.434 1.659 10 0 CDAERP CC[N@H+](CCNC(=O)CC[NH+](C)C)Cc1ncccc1C ZINC001437618732 963067216 /nfs/dbraw/zinc/06/72/16/963067216.db2.gz HTOBBVSFMLZKKQ-UHFFFAOYSA-N 2 0 292.427 1.280 10 0 CDAERP CCCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](CCC)C1 ZINC001437915974 963237543 /nfs/dbraw/zinc/23/75/43/963237543.db2.gz YRBOLJAVARUFFZ-HNNXBMFYSA-N 2 0 293.455 1.805 10 0 CDAERP CCN(C(=O)CC[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CC)C1 ZINC001438255264 963388667 /nfs/dbraw/zinc/38/86/67/963388667.db2.gz DSWVVMMRPVWXPP-GJZGRUSLSA-N 2 0 281.444 1.804 10 0 CDAERP CC(C)[NH2+]CC1(NC(=O)C23CC[NH+](CC2)C3)CCCC1 ZINC001438399154 963439607 /nfs/dbraw/zinc/43/96/07/963439607.db2.gz BCNOAJIPRLJTBT-UHFFFAOYSA-N 2 0 279.428 1.509 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC001438753174 963541061 /nfs/dbraw/zinc/54/10/61/963541061.db2.gz MAYOIGBNMQFYEQ-GJZGRUSLSA-N 2 0 281.444 1.755 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](CCC(C)C)C1 ZINC001421342876 963561818 /nfs/dbraw/zinc/56/18/18/963561818.db2.gz FQQKKQYPSKEDFN-OAHLLOKOSA-N 2 0 283.460 1.907 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCN(C)C(=O)C[NH+](C)C1CCC1 ZINC001438883381 963586857 /nfs/dbraw/zinc/58/68/57/963586857.db2.gz QBBFSQSQGXKHBS-CQSZACIVSA-N 2 0 283.460 1.907 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1CCC(C)(C)C ZINC001439571518 963804435 /nfs/dbraw/zinc/80/44/35/963804435.db2.gz ZYZCQTZHGGEBLZ-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001439851114 963879352 /nfs/dbraw/zinc/87/93/52/963879352.db2.gz NWEJQESUCPAMNI-WBVHZDCISA-N 2 0 295.471 1.955 10 0 CDAERP CC[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CCC1 ZINC001440312449 963981369 /nfs/dbraw/zinc/98/13/69/963981369.db2.gz IEGYGBCDTYZIGK-ZIAGYGMSSA-N 2 0 279.428 1.652 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[N@@H+]1CCCF ZINC001440504938 964095026 /nfs/dbraw/zinc/09/50/26/964095026.db2.gz NISQVMFJNMIQMY-CABCVRRESA-N 2 0 299.434 1.801 10 0 CDAERP CC[C@@H](F)C[NH2+]CC1CC(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001440756562 964160232 /nfs/dbraw/zinc/16/02/32/964160232.db2.gz AVOHYKNLMCAHNB-ROKHWSDSSA-N 2 0 299.434 1.703 10 0 CDAERP Cc1oncc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001440861153 964213506 /nfs/dbraw/zinc/21/35/06/964213506.db2.gz OSZLCJFRSQKILV-NWDGAFQWSA-N 2 0 296.415 1.306 10 0 CDAERP C[C@@H]1C[C@H]2CC[C@H](C(=O)NCC[NH+]3CC=CC3)C[N@@H+]2C1 ZINC001346177098 964970687 /nfs/dbraw/zinc/97/06/87/964970687.db2.gz DMKGHVCSCVMPIY-QLFBSQMISA-N 2 0 277.412 1.095 10 0 CDAERP Cc1ccc(C[NH2+][C@@H](C)CCNC(=O)CC[NH+](C)C)cc1 ZINC001442289344 964974667 /nfs/dbraw/zinc/97/46/67/964974667.db2.gz NQNCJJPMRNSMQC-HNNXBMFYSA-N 2 0 291.439 1.931 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)CC1CC(C)(C)C1 ZINC001442614705 965134559 /nfs/dbraw/zinc/13/45/59/965134559.db2.gz FLNWBJVYDDZAOP-UHFFFAOYSA-N 2 0 283.460 1.811 10 0 CDAERP CC[N@H+](CCNC(=O)C[NH+](C)C(C)C)Cc1ccccc1 ZINC001442758286 965203166 /nfs/dbraw/zinc/20/31/66/965203166.db2.gz WZPMCDQZGRBZAN-UHFFFAOYSA-N 2 0 291.439 1.965 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]1CCCF ZINC001442853150 965246724 /nfs/dbraw/zinc/24/67/24/965246724.db2.gz ZBECLNFUPUKQED-CYBMUJFWSA-N 2 0 273.396 1.267 10 0 CDAERP CC[C@H](F)C[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001442852472 965247131 /nfs/dbraw/zinc/24/71/31/965247131.db2.gz XNQKVSGRZITKDI-KBPBESRZSA-N 2 0 287.423 1.655 10 0 CDAERP C[C@@H]([NH2+]CCF)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001443116610 965361148 /nfs/dbraw/zinc/36/11/48/965361148.db2.gz ZNNYCIRFIGJWCI-UMVBOHGHSA-N 2 0 299.434 1.513 10 0 CDAERP CC[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)c1ccccc1 ZINC001443148274 965368867 /nfs/dbraw/zinc/36/88/67/965368867.db2.gz ZDXUMSMMJVHAAZ-OAHLLOKOSA-N 2 0 275.396 1.549 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CC[NH+](CCF)C1 ZINC001443219943 965405158 /nfs/dbraw/zinc/40/51/58/965405158.db2.gz NUVQYSNZXTYXDU-HUUCEWRRSA-N 2 0 299.434 1.657 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)NCC[C@H]1CC[N@H+](CC)C1 ZINC001443248943 965414050 /nfs/dbraw/zinc/41/40/50/965414050.db2.gz JBLFTNRYDGRISX-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](CCNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001443255375 965418206 /nfs/dbraw/zinc/41/82/06/965418206.db2.gz AYHPNKOBLFPIIG-HZPDHXFCSA-N 2 0 295.471 1.812 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CC)[NH2+]CCF ZINC001443935123 965674579 /nfs/dbraw/zinc/67/45/79/965674579.db2.gz SXBQSRZNZNGFEU-CHWSQXEVSA-N 2 0 273.396 1.315 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C[NH2+]CC1CC1 ZINC001444310212 965790964 /nfs/dbraw/zinc/79/09/64/965790964.db2.gz ODZBGHPINYJHFE-IUODEOHRSA-N 2 0 279.428 1.080 10 0 CDAERP CC(C)C[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001446560076 966585075 /nfs/dbraw/zinc/58/50/75/966585075.db2.gz LMVNDWNZTRKADL-HOCLYGCPSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C ZINC001447170691 966714482 /nfs/dbraw/zinc/71/44/82/966714482.db2.gz QEQCPHPVJMQCOW-KKUMJFAQSA-N 2 0 299.434 1.752 10 0 CDAERP C[C@@H]([NH2+]CCF)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001447838604 966900772 /nfs/dbraw/zinc/90/07/72/966900772.db2.gz CZTNJQMGZKEEQY-OLZOCXBDSA-N 2 0 287.423 1.703 10 0 CDAERP Cc1cc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[NH+](C)C)cs1 ZINC001447897689 966919802 /nfs/dbraw/zinc/91/98/02/966919802.db2.gz INLPYAYRBWHWRR-QWHCGFSZSA-N 2 0 297.468 1.991 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(C)C)CC1(C)C ZINC001448421747 967107862 /nfs/dbraw/zinc/10/78/62/967107862.db2.gz VXTMSPJQOZOVLE-CQSZACIVSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001448526119 967139763 /nfs/dbraw/zinc/13/97/63/967139763.db2.gz WJMXMRHEOQGCQB-HDJSIYSDSA-N 2 0 283.460 1.857 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]Cc2cncs2)CN1C(=O)CC[NH+](C)C ZINC001449017047 967335938 /nfs/dbraw/zinc/33/59/38/967335938.db2.gz IKERJKVMUXMBIE-NWDGAFQWSA-N 2 0 296.440 1.174 10 0 CDAERP CC(C)N(CC[N@H+](C)CCCF)C(=O)[C@H]1CC[NH+](C)C1 ZINC001449281296 967417970 /nfs/dbraw/zinc/41/79/70/967417970.db2.gz SHHQDLWVPFAZQA-AWEZNQCLSA-N 2 0 287.423 1.467 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=[NH2+])Nc1ccccn1 ZINC000849046720 969433878 /nfs/dbraw/zinc/43/38/78/969433878.db2.gz KDGCNHDOWRVCTD-UHFFFAOYSA-N 2 0 263.389 1.996 10 0 CDAERP Cc1ccc(CNC(=[NH2+])NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000849048951 969434754 /nfs/dbraw/zinc/43/47/54/969434754.db2.gz JNFTYCRGJZTEDR-GASCZTMLSA-N 2 0 274.412 1.949 10 0 CDAERP C[NH+]1CCC2(CC1)CC[NH+](CCNC(=O)C1CC1)CC2 ZINC001460608830 969526469 /nfs/dbraw/zinc/52/64/69/969526469.db2.gz XEUOOENRWFNDSZ-UHFFFAOYSA-N 2 0 279.428 1.320 10 0 CDAERP CC(C)[C@H](O)C[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001460945935 969570826 /nfs/dbraw/zinc/57/08/26/969570826.db2.gz PQNSNBBBEWLVLW-OAHLLOKOSA-N 2 0 284.444 1.316 10 0 CDAERP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)CC[NH+]1CC[C@@H](F)C1 ZINC001465464290 969876499 /nfs/dbraw/zinc/87/64/99/969876499.db2.gz RIQDYAGVVRXDHU-CABCVRRESA-N 2 0 299.434 1.753 10 0 CDAERP CC[C@@H](C[NH+](C)C)OC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001516657175 969947753 /nfs/dbraw/zinc/94/77/53/969947753.db2.gz NZHXIGUZXYJLKK-STQMWFEESA-N 2 0 256.390 1.743 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)C1 ZINC001468343548 970153727 /nfs/dbraw/zinc/15/37/27/970153727.db2.gz OQCIYAFGUMIWGH-BARDWOONSA-N 2 0 279.428 1.269 10 0 CDAERP C[C@@H](CNC(=O)CC[N@@H+]1CC[C@H](F)C1)[NH+]1CCC[C@@H](C)C1 ZINC001361803152 970547510 /nfs/dbraw/zinc/54/75/10/970547510.db2.gz MARPIHKIMZSJLB-ILXRZTDVSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC001361950296 970705393 /nfs/dbraw/zinc/70/53/93/970705393.db2.gz BPLJGHYPHBELCA-LSDHHAIUSA-N 2 0 293.455 1.707 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C[NH2+]C/C=C\Cl ZINC001495690446 972598530 /nfs/dbraw/zinc/59/85/30/972598530.db2.gz DDITWCSIKRKJMK-WFMXKNRHSA-N 2 0 287.835 1.565 10 0 CDAERP CCCC[NH2+]C[C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001495744945 972620056 /nfs/dbraw/zinc/62/00/56/972620056.db2.gz ZSOGGMYPBTVQBL-KGLIPLIRSA-N 2 0 269.433 1.470 10 0 CDAERP CCC[NH2+]C[C@@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001495817472 972648123 /nfs/dbraw/zinc/64/81/23/972648123.db2.gz YRRJUFHRWQCHOK-CQSZACIVSA-N 2 0 269.433 1.614 10 0 CDAERP CCN(CCF)CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001372476297 972968042 /nfs/dbraw/zinc/96/80/42/972968042.db2.gz MOICBVXYXJIZEZ-BETUJISGSA-N 2 0 273.396 1.267 10 0 CDAERP CCC[N@H+](C)CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001496842394 973118920 /nfs/dbraw/zinc/11/89/20/973118920.db2.gz YWTDEEJGMGMMPI-ZIAGYGMSSA-N 2 0 269.433 1.659 10 0 CDAERP C[C@@H](F)CC[NH2+]CC[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001497204689 973242499 /nfs/dbraw/zinc/24/24/99/973242499.db2.gz FGJSWVNGRFWMIK-CHWSQXEVSA-N 2 0 287.423 1.703 10 0 CDAERP CCN1CC[C@H]1C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC001417662580 973255048 /nfs/dbraw/zinc/25/50/48/973255048.db2.gz GSIMRFDNAGVNQN-AWEZNQCLSA-N 2 0 295.452 1.733 10 0 CDAERP Cc1ccncc1C[NH2+]CC[C@H](C)NC(=O)CC[NH+](C)C ZINC001497261416 973268028 /nfs/dbraw/zinc/26/80/28/973268028.db2.gz CTRSQWOKZCWZLS-AWEZNQCLSA-N 2 0 292.427 1.326 10 0 CDAERP C[C@@H]1C[C@H](C[NH2+]C/C=C/CNC(=O)CC[NH+](C)C)CCO1 ZINC001497673132 973459642 /nfs/dbraw/zinc/45/96/42/973459642.db2.gz FATOBLXDOFLGMV-DPOFCPOHSA-N 2 0 297.443 1.015 10 0 CDAERP C[C@@H]1CC[C@@H](C[NH2+][C@H]2C[C@@H](NC(=O)CCC[NH+](C)C)C2)O1 ZINC001418101313 973585611 /nfs/dbraw/zinc/58/56/11/973585611.db2.gz DKHQVXHIXSSOSW-KBXIAJHMSA-N 2 0 297.443 1.133 10 0 CDAERP C[C@@H](C[NH2+]C/C=C/Cl)NC(=O)C[N@H+](C)C1CCC1 ZINC001498054019 973652198 /nfs/dbraw/zinc/65/21/98/973652198.db2.gz XHKRGDYOIADQHT-ZPMKCOPCSA-N 2 0 273.808 1.318 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCC(C)(C)C ZINC001418230112 973682114 /nfs/dbraw/zinc/68/21/14/973682114.db2.gz XWXRFCXOSPQWCS-MGPQQGTHSA-N 2 0 283.460 1.857 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccns1)[NH+](C)C ZINC001418241484 973689268 /nfs/dbraw/zinc/68/92/68/973689268.db2.gz DQQUIKVOOWJOKR-ZYHUDNBSSA-N 2 0 284.429 1.078 10 0 CDAERP C[C@H](C[NH2+]CC1CCCC1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001374313500 973887463 /nfs/dbraw/zinc/88/74/63/973887463.db2.gz OWKASXKLHNICJB-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[N@H+](C)C[C@H](C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001498427353 973906391 /nfs/dbraw/zinc/90/63/91/973906391.db2.gz WDNCRAKXHRUDSS-UONOGXRCSA-N 2 0 269.433 1.421 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001374574440 974029054 /nfs/dbraw/zinc/02/90/54/974029054.db2.gz ZUVXELZNRHPQCP-LSDHHAIUSA-N 2 0 283.460 1.857 10 0 CDAERP C[C@H](C[NH2+]CC1CCCC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001374832835 974143354 /nfs/dbraw/zinc/14/33/54/974143354.db2.gz GZGVDGGKALHJHL-UKRRQHHQSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@H](C[N@H+](C)CCC(C)(C)C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001375153606 974276617 /nfs/dbraw/zinc/27/66/17/974276617.db2.gz GIURVOYIYSBRGZ-ZIAGYGMSSA-N 2 0 283.460 1.811 10 0 CDAERP CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]CC1CCC1 ZINC001375279959 974313377 /nfs/dbraw/zinc/31/33/77/974313377.db2.gz DNMHIYUAOSGYFJ-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+]2CCC(C)(C)C)C1 ZINC001375347014 974346334 /nfs/dbraw/zinc/34/63/34/974346334.db2.gz MNUHVHBGXRTFMA-HUUCEWRRSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001375422939 974376202 /nfs/dbraw/zinc/37/62/02/974376202.db2.gz WDWCHFFBNLYXJZ-UHFFFAOYSA-N 2 0 281.444 1.898 10 0 CDAERP CCCC[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001500290998 974416853 /nfs/dbraw/zinc/41/68/53/974416853.db2.gz YSNQFNFVYZILGR-HNNXBMFYSA-N 2 0 267.417 1.463 10 0 CDAERP CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C2 ZINC001501169899 974544444 /nfs/dbraw/zinc/54/44/44/974544444.db2.gz IEJRRLFEZGBTPV-QDMKHBRRSA-N 2 0 281.444 1.706 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@@]1(CO)CCC[NH+](C(C)C)C1 ZINC001501360308 974572770 /nfs/dbraw/zinc/57/27/70/974572770.db2.gz VKWCVONIBVMCGN-INIZCTEOSA-N 2 0 299.459 1.070 10 0 CDAERP COC[C@H](C)[N@H+](C)C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001376279128 974619001 /nfs/dbraw/zinc/61/90/01/974619001.db2.gz DVZYGWOVPAEBBH-LSDHHAIUSA-N 2 0 299.459 1.143 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](C(C)C)CC1 ZINC001502147586 974707570 /nfs/dbraw/zinc/70/75/70/974707570.db2.gz LWTJXEFUXUMCPG-CQSZACIVSA-N 2 0 269.433 1.706 10 0 CDAERP CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]CC1CC1)[NH+]1CCCC1 ZINC001376881121 974801610 /nfs/dbraw/zinc/80/16/10/974801610.db2.gz PDANOJBGADLBHB-DZGCQCFKSA-N 2 0 281.444 1.611 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC1CC1 ZINC001377028309 974861540 /nfs/dbraw/zinc/86/15/40/974861540.db2.gz RSHMFTITMFEHKG-HIFRSBDPSA-N 2 0 281.444 1.755 10 0 CDAERP Cc1cc(C[NH2+][C@@H](C)CCNC(=O)CC[NH+](C)C)cs1 ZINC001377055987 974869769 /nfs/dbraw/zinc/86/97/69/974869769.db2.gz DSVPEAILQCFGEP-LBPRGKRZSA-N 2 0 297.468 1.993 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NCC[C@@H](C)[NH2+]C[C@H]1CCCOC1 ZINC001377110539 974886373 /nfs/dbraw/zinc/88/63/73/974886373.db2.gz MOPHFEJNFMJNSY-HUUCEWRRSA-N 2 0 299.459 1.238 10 0 CDAERP C[NH+](C)CCC(=O)NCC[N@H+](C)CC1CCCCCC1 ZINC001377258944 974947798 /nfs/dbraw/zinc/94/77/98/974947798.db2.gz LZROPFQFIFJZFE-UHFFFAOYSA-N 2 0 283.460 1.957 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1ccccc1 ZINC001505684733 974962237 /nfs/dbraw/zinc/96/22/37/974962237.db2.gz CGTUJUNBMQVOSQ-UONOGXRCSA-N 2 0 277.412 1.621 10 0 CDAERP CC(C)C[NH2+][C@H](C)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001505705290 974969508 /nfs/dbraw/zinc/96/95/08/974969508.db2.gz HDRJSIWLCGGJHK-KGLIPLIRSA-N 2 0 283.460 1.857 10 0 CDAERP CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001377708736 975117731 /nfs/dbraw/zinc/11/77/31/975117731.db2.gz TUOGCYGCBREICU-ZNMIVQPWSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H]([NH2+]Cc1ccc(F)cn1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001377856471 975157577 /nfs/dbraw/zinc/15/75/77/975157577.db2.gz XUZJKLVQJGJRGC-NEPJUHHUSA-N 2 0 296.390 1.155 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CC[C@@H]1CCCCO1 ZINC001378125721 975252069 /nfs/dbraw/zinc/25/20/69/975252069.db2.gz XXLXSMLLNCXMRR-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H](C)C1C[NH+](CC2CC2)C1 ZINC001378517520 975372884 /nfs/dbraw/zinc/37/28/84/975372884.db2.gz MTMLKKVGTMEEEA-IUODEOHRSA-N 2 0 299.434 1.513 10 0 CDAERP Cc1csc(C[NH2+]C[C@@H](C)CNC(=O)CC[NH+](C)C)n1 ZINC001378602348 975411508 /nfs/dbraw/zinc/41/15/08/975411508.db2.gz OXDZGJLOLPJYPC-LLVKDONJSA-N 2 0 298.456 1.245 10 0 CDAERP CCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001507322853 975415996 /nfs/dbraw/zinc/41/59/96/975415996.db2.gz UMSIQLRQSBZCJD-DZGCQCFKSA-N 2 0 281.444 1.707 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@@]2(C1)C[NH+](C(C)C)CCO2 ZINC001378622509 975419703 /nfs/dbraw/zinc/41/97/03/975419703.db2.gz FGXGNRHMTWQBGL-INIZCTEOSA-N 2 0 297.443 1.040 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+]C[C@@H]1CCCOC1 ZINC001378645733 975427344 /nfs/dbraw/zinc/42/73/44/975427344.db2.gz VTSXKESGLTWTIQ-GJZGRUSLSA-N 2 0 299.459 1.095 10 0 CDAERP COC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001404652718 975450183 /nfs/dbraw/zinc/45/01/83/975450183.db2.gz QLZFEBCSLUREHU-ILXRZTDVSA-N 2 0 297.443 1.086 10 0 CDAERP CC(C)[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001378782035 975489360 /nfs/dbraw/zinc/48/93/60/975489360.db2.gz KQAHVLSBEPMYPW-KKUMJFAQSA-N 2 0 281.444 1.563 10 0 CDAERP C[NH+](C)CCCC(=O)NCC1C[NH+](CC2CCCC2)C1 ZINC001404907009 975535504 /nfs/dbraw/zinc/53/55/04/975535504.db2.gz QFRXVYXPOQEGFI-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)N(CC[N@@H+](C)C[C@@H](C)O)C(=O)C[NH+](C)C1CCC1 ZINC001507794427 975542089 /nfs/dbraw/zinc/54/20/89/975542089.db2.gz VEHWIDVCLUMSFI-CQSZACIVSA-N 2 0 299.459 1.020 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2)C1 ZINC001388686603 975552474 /nfs/dbraw/zinc/55/24/74/975552474.db2.gz NJGIYBZIEOSBQP-IYBDPMFKSA-N 2 0 289.423 1.623 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001388715661 975566823 /nfs/dbraw/zinc/56/68/23/975566823.db2.gz NBIUTCXQRHCYDS-OXGONZEZSA-N 2 0 295.471 1.857 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cncs2)C1 ZINC001388723736 975567787 /nfs/dbraw/zinc/56/77/87/975567787.db2.gz FPBRSBLXDPZEMF-HAQNSBGRSA-N 2 0 296.440 1.079 10 0 CDAERP CC(C)[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC[C@@H](C)F ZINC001401349234 975604088 /nfs/dbraw/zinc/60/40/88/975604088.db2.gz KPYGYBVGNUNFNL-ZIAGYGMSSA-N 2 0 287.423 1.561 10 0 CDAERP CN(CC[N@H+](C)CC1CCC1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001379044423 975618238 /nfs/dbraw/zinc/61/82/38/975618238.db2.gz SSHZFAQCUCXOIW-INIZCTEOSA-N 2 0 293.455 1.519 10 0 CDAERP CC[C@H](C(=O)N(C)CC[N@H+](C)CC[C@@H](C)F)[NH+](C)C ZINC001401378104 975630700 /nfs/dbraw/zinc/63/07/00/975630700.db2.gz XYZPDGVMYGLNGD-CHWSQXEVSA-N 2 0 275.412 1.465 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]C/C=C/Cl)C1 ZINC001397679808 975676870 /nfs/dbraw/zinc/67/68/70/975676870.db2.gz RBHIOHOLLURLLW-GNBMTSKZSA-N 2 0 273.808 1.175 10 0 CDAERP Cc1oncc1C[NH2+][C@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001379326917 975767773 /nfs/dbraw/zinc/76/77/73/975767773.db2.gz OXGWTIVWZOJSOI-GFCCVEGCSA-N 2 0 294.399 1.015 10 0 CDAERP Cc1cc(C[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C(C)C)cs1 ZINC001401676890 975788523 /nfs/dbraw/zinc/78/85/23/975788523.db2.gz YKUZSFTVFUAJGR-GFCCVEGCSA-N 2 0 297.468 1.991 10 0 CDAERP C[C@H](C[NH2+]CC1CC(C)C1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001379423506 975835564 /nfs/dbraw/zinc/83/55/64/975835564.db2.gz RIQGPGHZIVGZCN-JYVUQVBGSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)[C@@H](C(=O)NC[C@@H]([NH2+]CCF)C1CC1)[NH+]1CCCC1 ZINC001389684227 975952086 /nfs/dbraw/zinc/95/20/86/975952086.db2.gz HOVJBYHXRQLSMR-CABCVRRESA-N 2 0 299.434 1.561 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1CCc1ccccc1 ZINC001401907605 975991717 /nfs/dbraw/zinc/99/17/17/975991717.db2.gz ULAULMQJCRGLJZ-INIZCTEOSA-N 2 0 289.423 1.371 10 0 CDAERP C[N@H+](CCCF)C[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001398461147 975994820 /nfs/dbraw/zinc/99/48/20/975994820.db2.gz JBMZRZGOGPNLCP-CABCVRRESA-N 2 0 299.434 1.468 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001389891009 976034349 /nfs/dbraw/zinc/03/43/49/976034349.db2.gz XWLACCCYPBXXSS-RBSFLKMASA-N 2 0 281.444 1.611 10 0 CDAERP C[C@H](F)CC[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001401976319 976054572 /nfs/dbraw/zinc/05/45/72/976054572.db2.gz JUQYIUPAQVIRKY-LBPRGKRZSA-N 2 0 283.391 1.069 10 0 CDAERP C[C@H](C[NH2+]Cc1ccc(F)cc1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001406333664 976130527 /nfs/dbraw/zinc/13/05/27/976130527.db2.gz FMDYZUWTQNCYHF-DOMZBBRYSA-N 2 0 293.386 1.514 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CCCC[N@@H+]1CC1CCC1 ZINC001398779391 976145543 /nfs/dbraw/zinc/14/55/43/976145543.db2.gz YFXMOIZNLBCXIS-INIZCTEOSA-N 2 0 293.455 1.853 10 0 CDAERP CC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C(F)(F)F ZINC001380146314 976261286 /nfs/dbraw/zinc/26/12/86/976261286.db2.gz FAQDFONXSJCNBF-GHMZBOCLSA-N 2 0 295.349 1.327 10 0 CDAERP CCC[NH+]1CCC([C@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001380146239 976261686 /nfs/dbraw/zinc/26/16/86/976261686.db2.gz YFJBGPICDLBXMI-GJZGRUSLSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001380141057 976262056 /nfs/dbraw/zinc/26/20/56/976262056.db2.gz WWFMFRWQMJMRCI-CYBMUJFWSA-N 2 0 285.407 1.315 10 0 CDAERP CC(C)[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001380155314 976270305 /nfs/dbraw/zinc/27/03/05/976270305.db2.gz UREFJVPERLDCGO-CQSZACIVSA-N 2 0 281.444 1.896 10 0 CDAERP CC[C@H](F)C[NH2+]C1CC(N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001380168412 976276929 /nfs/dbraw/zinc/27/69/29/976276929.db2.gz VBALTWNUCVGKHL-HSBZDZAISA-N 2 0 299.434 1.655 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C ZINC001402483663 976307314 /nfs/dbraw/zinc/30/73/14/976307314.db2.gz LKXGPBQDUQREDT-RRFJBIMHSA-N 2 0 299.434 1.752 10 0 CDAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC1CC(C)(C)C1 ZINC001390481507 976320792 /nfs/dbraw/zinc/32/07/92/976320792.db2.gz LYQDVOBKYVGDBV-KBPBESRZSA-N 2 0 295.471 1.859 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2nocc2C)C1 ZINC001402541623 976351566 /nfs/dbraw/zinc/35/15/66/976351566.db2.gz BCPPSNMDBHBGJQ-JOCQHMNTSA-N 2 0 294.399 1.062 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CCO)C1)[NH+](CC)CC ZINC001390622912 976393396 /nfs/dbraw/zinc/39/33/96/976393396.db2.gz KSIKGLWQMVOQQT-HUUCEWRRSA-N 2 0 299.459 1.022 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC001406789412 976408218 /nfs/dbraw/zinc/40/82/18/976408218.db2.gz IUEYEWHXPVBRTP-CJNGLKHVSA-N 2 0 299.434 1.703 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001406842724 976434160 /nfs/dbraw/zinc/43/41/60/976434160.db2.gz JMSPATZCQMQIJL-AWEZNQCLSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001399319411 976439345 /nfs/dbraw/zinc/43/93/45/976439345.db2.gz RKLSXFZFUNQIQW-GOEBONIOSA-N 2 0 295.471 1.859 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001406970819 976497857 /nfs/dbraw/zinc/49/78/57/976497857.db2.gz CICAZHMUMVLAGW-CQSZACIVSA-N 2 0 299.434 1.705 10 0 CDAERP CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccsc1)[NH+](C)C ZINC001402910105 976581567 /nfs/dbraw/zinc/58/15/67/976581567.db2.gz KDXNODKUOFCTAY-OCCSQVGLSA-N 2 0 297.468 1.929 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001403200160 976807820 /nfs/dbraw/zinc/80/78/20/976807820.db2.gz KQXFTFZULQNZIN-CABCVRRESA-N 2 0 299.434 1.657 10 0 CDAERP CC[C@H](C(=O)NCC[C@@H]1CC[N@H+](CC2CC2)C1)[NH+](C)C ZINC001391332416 976820287 /nfs/dbraw/zinc/82/02/87/976820287.db2.gz BQIMWNVVVNLBNF-HUUCEWRRSA-N 2 0 281.444 1.565 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CCC(C)([NH2+]C/C=C/Cl)CC2)C1 ZINC001408085903 976907733 /nfs/dbraw/zinc/90/77/33/976907733.db2.gz FULHGFMBZQAZBL-MXPWBENCSA-N 2 0 299.846 1.661 10 0 CDAERP CC(C)CCC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001391490395 976914534 /nfs/dbraw/zinc/91/45/34/976914534.db2.gz WQTAGGSQUVWIRZ-MRXNPFEDSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)CC1CCCC1 ZINC001381629826 976957779 /nfs/dbraw/zinc/95/77/79/976957779.db2.gz QYURMRNTQUGHNH-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[NH+]1CC([C@@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001381787200 977019159 /nfs/dbraw/zinc/01/91/59/977019159.db2.gz MRROMPQIOXOWRE-UKRRQHHQSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1nc(C)cs1 ZINC001391725236 977068487 /nfs/dbraw/zinc/06/84/87/977068487.db2.gz SONCXEOKXKOIJL-GFCCVEGCSA-N 2 0 298.456 1.388 10 0 CDAERP CC(C)N(CC[N@H+](C)CC1CC1)C(=O)[C@@H]1CCC[NH+]1C ZINC001403929164 977270860 /nfs/dbraw/zinc/27/08/60/977270860.db2.gz XDKOLBDNQMUVNT-HNNXBMFYSA-N 2 0 281.444 1.659 10 0 CDAERP CC[N@H+](CCNC(=O)C[NH+]1CCCC1)C[C@H]1CCCCO1 ZINC001403938211 977272567 /nfs/dbraw/zinc/27/25/67/977272567.db2.gz GJPXIBCMVRIVCW-OAHLLOKOSA-N 2 0 297.443 1.089 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH2+]CCC3CC3)CCC2)C1 ZINC001393566467 977837906 /nfs/dbraw/zinc/83/79/06/977837906.db2.gz MQMKYYUYMLHLRT-OAHLLOKOSA-N 2 0 293.455 1.757 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1conc1C ZINC001393991546 977998823 /nfs/dbraw/zinc/99/88/23/977998823.db2.gz KCAAGYKKBNCHGJ-RYUDHWBXSA-N 2 0 296.415 1.308 10 0 CDAERP CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@H]1C ZINC001674153848 1173919805 /nfs/dbraw/zinc/91/98/05/1173919805.db2.gz JABFZEGAOMQCDJ-CHWSQXEVSA-N 2 0 255.406 1.316 10 0 CDAERP CCOCC[N@@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)[C@@H]1C ZINC001676879133 1174285745 /nfs/dbraw/zinc/28/57/45/1174285745.db2.gz KYXIPKIQSOXJBA-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP COCCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC1(C)C ZINC001677043719 1174310876 /nfs/dbraw/zinc/31/08/76/1174310876.db2.gz ULAJIEMPAGISQL-CQSZACIVSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)=CC[NH2+]CC1CC(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001570564404 1170190337 /nfs/dbraw/zinc/19/03/37/1170190337.db2.gz YRXAYTHFPHHRCJ-UHFFFAOYSA-N 2 0 293.455 1.921 10 0 CDAERP CCC[N@@H+]1C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C(C)(C)C1 ZINC001570896455 1170314237 /nfs/dbraw/zinc/31/42/37/1170314237.db2.gz CSNCFDFCKBKRNN-OLZOCXBDSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001571257076 1170355953 /nfs/dbraw/zinc/35/59/53/1170355953.db2.gz JCCXHRYACGSSGB-GOEBONIOSA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)[N@@H+]1CCCN(C(=O)N[C@@H]2CCC[NH+](C)C2)CC1 ZINC000590161886 342523609 /nfs/dbraw/zinc/52/36/09/342523609.db2.gz RZKODRMMYOZOTK-CQSZACIVSA-N 2 0 282.432 1.206 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC2(C[NH3+])CC2)[C@@H](C)C1 ZINC000650743926 398172734 /nfs/dbraw/zinc/17/27/34/398172734.db2.gz BOCDEEKHNATFBW-HOTGVXAUSA-N 3 0 297.487 1.842 10 0 CDAERP COc1ccc2c(c1)OC1(CC[NH+](C)CC1)C[C@H]2[NH3+] ZINC000082509395 178076199 /nfs/dbraw/zinc/07/61/99/178076199.db2.gz JBBKQLXLIZACLX-CYBMUJFWSA-N 2 0 262.353 1.942 10 0 CDAERP C[C@H]1C[C@@H](N(C)CC(=O)NCC(C)(C)C)CC[N@@H+]1C ZINC000625213681 342041640 /nfs/dbraw/zinc/04/16/40/342041640.db2.gz NZRSPJSTLIMOBS-STQMWFEESA-N 2 0 269.433 1.563 10 0 CDAERP C[NH2+]C1CCN(C(=O)[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000237131143 342058505 /nfs/dbraw/zinc/05/85/05/342058505.db2.gz HGDIKYOVKRBZHM-HNNXBMFYSA-N 2 0 273.380 1.084 10 0 CDAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C3CC3)CC2)C1 ZINC000248818556 343999863 /nfs/dbraw/zinc/99/98/63/343999863.db2.gz VWMLFTIQGXRGLK-CZUORRHYSA-N 2 0 293.455 1.706 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H]1CCC[N@H+](C)C1)[NH+]1CCCCC1 ZINC000591871793 342648909 /nfs/dbraw/zinc/64/89/09/342648909.db2.gz QGOLACZUUBSMGV-LSDHHAIUSA-N 2 0 281.444 1.707 10 0 CDAERP COc1ccc2c(c1)C[C@H]([NH2+]CC1([NH3+])CCOCC1)CC2 ZINC000629387568 361900855 /nfs/dbraw/zinc/90/08/55/361900855.db2.gz JDPHYWCBNGFRST-OAHLLOKOSA-N 2 0 290.407 1.650 10 0 CDAERP CC[C@H](C(=O)Nc1cnn(CC[NH+](C)C)c1)[NH+](CC)CC ZINC000605426597 342185510 /nfs/dbraw/zinc/18/55/10/342185510.db2.gz BQGJJBXEEDEAIH-CQSZACIVSA-N 2 0 295.431 1.504 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1ccc(Br)s1 ZINC000629398294 361931865 /nfs/dbraw/zinc/93/18/65/361931865.db2.gz QZFYYSAAZWNKTP-UHFFFAOYSA-N 2 0 293.230 1.966 10 0 CDAERP [NH3+]CCCOCC[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000629401072 361939051 /nfs/dbraw/zinc/93/90/51/361939051.db2.gz OJOPUYIRRBRRGK-ZDUSSCGKSA-N 2 0 264.369 1.508 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCN1[C@H](C)CCC[C@H]1C ZINC000422888913 293096227 /nfs/dbraw/zinc/09/62/27/293096227.db2.gz OGVXMUIYIMCRRB-KFWWJZLASA-N 2 0 271.449 1.593 10 0 CDAERP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333732378 539054844 /nfs/dbraw/zinc/05/48/44/539054844.db2.gz HZKYWBPUOINZEV-KFWWJZLASA-N 2 0 296.459 1.548 10 0 CDAERP CCOC(=O)C1CCC([NH2+][C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000600680722 342242185 /nfs/dbraw/zinc/24/21/85/342242185.db2.gz CSFMSHKDZQRALY-YWPUVAFDSA-N 2 0 254.374 1.448 10 0 CDAERP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC2([NH3+])CCOCC2)[C@H]1C ZINC000600708164 342243260 /nfs/dbraw/zinc/24/32/60/342243260.db2.gz JHWYWYONIJZINK-AVGNSLFASA-N 2 0 284.400 1.062 10 0 CDAERP COC(=O)C[C@@H]1CC[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)[C@H]1C ZINC000594509056 342915041 /nfs/dbraw/zinc/91/50/41/342915041.db2.gz HKGWQDNRNUUIEL-BTFPBAQTSA-N 2 0 282.428 1.894 10 0 CDAERP CC(C)[C@H]1CC[C@@H]1[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000353513865 539098151 /nfs/dbraw/zinc/09/81/51/539098151.db2.gz FRNVGHXKUWXXDW-OAGGEKHMSA-N 2 0 267.461 1.894 10 0 CDAERP COC(=O)c1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000594614261 342928076 /nfs/dbraw/zinc/92/80/76/342928076.db2.gz LMKXSTZKECKXMV-OTVXOJSOSA-N 2 0 276.380 1.903 10 0 CDAERP CC[C@@H](CO)[NH+]1CCN(CC[NH+]2CCC(C)CC2)CC1 ZINC000305156526 529509409 /nfs/dbraw/zinc/50/94/09/529509409.db2.gz QDYIAOSYGXLVBQ-INIZCTEOSA-N 2 0 283.460 1.107 10 0 CDAERP CS[C@H](CO)[C@H](C)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000594924482 342988813 /nfs/dbraw/zinc/98/88/13/342988813.db2.gz ZFRRBSFUEHOZFE-SMDDNHRTSA-N 2 0 292.408 1.469 10 0 CDAERP Cc1nccn1CCCC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000368314153 362047232 /nfs/dbraw/zinc/04/72/32/362047232.db2.gz FWGNUICBXVLMBP-MRXNPFEDSA-N 2 0 276.428 1.999 10 0 CDAERP COC(=O)[C@H](C)C[N@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000595891441 343182257 /nfs/dbraw/zinc/18/22/57/343182257.db2.gz IADBQSIPEIEOFA-GFCCVEGCSA-N 2 0 276.380 1.573 10 0 CDAERP [NH3+]C1(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CCOCC1 ZINC000629520475 362134921 /nfs/dbraw/zinc/13/49/21/362134921.db2.gz LEDUUILGRYIXGS-BFHYXJOUSA-N 2 0 267.417 1.005 10 0 CDAERP Cc1ncsc1C[NH+]1CCC([C@@H]2C[NH2+]C[C@H]2CO)CC1 ZINC000169789000 362136020 /nfs/dbraw/zinc/13/60/20/362136020.db2.gz RGBALGVDPQXVDC-KBPBESRZSA-N 2 0 295.452 1.491 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000629529063 362155121 /nfs/dbraw/zinc/15/51/21/362155121.db2.gz QWCQGXROEPSVQH-GFCCVEGCSA-N 2 0 291.395 1.458 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)c1sc(C)nc1C ZINC000629528850 362155197 /nfs/dbraw/zinc/15/51/97/362155197.db2.gz KZUCRKSHXZUHOJ-SECBINFHSA-N 2 0 257.403 1.647 10 0 CDAERP CC(C)[C@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000143285754 342435048 /nfs/dbraw/zinc/43/50/48/342435048.db2.gz UPZCGSLFVLLNSA-MRXNPFEDSA-N 2 0 293.455 1.850 10 0 CDAERP C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH2+]Cc3ccccc32)C1 ZINC000087619439 282263312 /nfs/dbraw/zinc/26/33/12/282263312.db2.gz UUUWCMRTJPIMKE-DZGCQCFKSA-N 2 0 273.380 1.036 10 0 CDAERP C[N@@H+]1CC[C@H](NC(=O)NC(C)(C)C[NH3+])[C@H]1c1ccccc1 ZINC000417935250 529805780 /nfs/dbraw/zinc/80/57/80/529805780.db2.gz GLXQENYBNAUEIW-UONOGXRCSA-N 2 0 290.411 1.468 10 0 CDAERP C[C@H]1CN(C(=O)NC2CC([NH+]3CCCCC3)C2)[C@@H](C)C[NH2+]1 ZINC000335170529 290700805 /nfs/dbraw/zinc/70/08/05/290700805.db2.gz RKFZJPCQUYBQOB-HESLUPGFSA-N 2 0 294.443 1.395 10 0 CDAERP CCC(O)(CC)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000225797381 282311686 /nfs/dbraw/zinc/31/16/86/282311686.db2.gz XYVUKTPVSLQYFR-KBPBESRZSA-N 2 0 254.418 1.954 10 0 CDAERP CCCN(C(=O)N[C@H]1CCC[NH+](C)C1)[C@H]1CC[N@H+](C)C1 ZINC000645201225 362349611 /nfs/dbraw/zinc/34/96/11/362349611.db2.gz ADIUVWOIKAWDIB-KBPBESRZSA-N 2 0 282.432 1.206 10 0 CDAERP C[NH2+]CCCC(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000417827286 529962444 /nfs/dbraw/zinc/96/24/44/529962444.db2.gz DEOAKFIKGXGCMG-UHFFFAOYSA-N 2 0 282.413 1.548 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000623066319 344643715 /nfs/dbraw/zinc/64/37/15/344643715.db2.gz DSQHCPAFYTZZJC-MNOVXSKESA-N 2 0 264.373 1.605 10 0 CDAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000263289257 362578435 /nfs/dbraw/zinc/57/84/35/362578435.db2.gz VKSOHMZONIXDKA-DTZQCDIJSA-N 2 0 278.371 1.632 10 0 CDAERP CN1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C(C)(C)C ZINC000640630320 362607204 /nfs/dbraw/zinc/60/72/04/362607204.db2.gz ZNIXNIPJUYHOSH-KBPBESRZSA-N 2 0 281.444 1.659 10 0 CDAERP CC[NH2+][C@](C)(CO)CCC[N@H+](CC)C[C@@H]1CCCO1 ZINC000085242168 178983688 /nfs/dbraw/zinc/98/36/88/178983688.db2.gz NIFBTAFOTIZIAM-GJZGRUSLSA-N 2 0 272.433 1.628 10 0 CDAERP COCC[NH+]1CCC(N[C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623377675 346113701 /nfs/dbraw/zinc/11/37/01/346113701.db2.gz FUQHPZALQCLCNI-OAHLLOKOSA-N 2 0 283.460 1.560 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCN2CCO)[C@@H](C)C1 ZINC000449395398 362689562 /nfs/dbraw/zinc/68/95/62/362689562.db2.gz PUHJMDIBKXYWPV-JYJNAYRXSA-N 2 0 283.460 1.153 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)[C@H]1CCCC[C@@H]1[NH3+])c1cccs1 ZINC000085370947 179041066 /nfs/dbraw/zinc/04/10/66/179041066.db2.gz PZLSRWPYULUYSU-RWMBFGLXSA-N 2 0 295.452 1.985 10 0 CDAERP CCC(CC)[C@H](CNC(=O)[C@H]1CCC[C@@H]1[NH3+])[NH+](C)C ZINC000085371150 179041376 /nfs/dbraw/zinc/04/13/76/179041376.db2.gz MKBFBFBHCTXDQJ-IHRRRGAJSA-N 2 0 269.433 1.596 10 0 CDAERP CCC[NH+]1CCC(NC[C@@H]2CCCC[N@@H+]2CCO)CC1 ZINC000449388562 362684433 /nfs/dbraw/zinc/68/44/33/362684433.db2.gz ALZNAVCQXQILCC-INIZCTEOSA-N 2 0 283.460 1.297 10 0 CDAERP Cc1c(C[N@@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)cnn1C ZINC000571622940 362706951 /nfs/dbraw/zinc/70/69/51/362706951.db2.gz GMXQKSANGAPAOL-YPMHNXCESA-N 2 0 250.390 1.548 10 0 CDAERP C(C[NH+]1CCCC1)n1c2c(nc1C1CC1)C[NH2+]CC2 ZINC000085570948 179096567 /nfs/dbraw/zinc/09/65/67/179096567.db2.gz KIAXDVXDWJDJBH-UHFFFAOYSA-N 2 0 260.385 1.502 10 0 CDAERP CC(C)(C)[C@@H]1C[N@H+](CCn2cccn2)CCC[NH2+]1 ZINC000085613805 179103149 /nfs/dbraw/zinc/10/31/49/179103149.db2.gz RACNPQVHCBWEFO-ZDUSSCGKSA-N 2 0 250.390 1.593 10 0 CDAERP CCCC[NH+](C)CCN(N)CC[N@@H+](C)CCCC ZINC000584604886 346497188 /nfs/dbraw/zinc/49/71/88/346497188.db2.gz ZRTFACCBOMXSLR-UHFFFAOYSA-N 2 0 258.454 1.626 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000227410901 346528454 /nfs/dbraw/zinc/52/84/54/346528454.db2.gz IRJIIVBFBLQBDG-NFAWXSAZSA-N 2 0 265.401 1.071 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000227696289 346530950 /nfs/dbraw/zinc/53/09/50/346530950.db2.gz YVMYTUZVTPFMPX-GOEBONIOSA-N 2 0 281.444 1.899 10 0 CDAERP COCCC[N@H+](C)CCN[C@H]1CC[NH+](C)C(C)(C)C1 ZINC000623430688 346619549 /nfs/dbraw/zinc/61/95/49/346619549.db2.gz AXWXNXHZXODUSS-AWEZNQCLSA-N 2 0 271.449 1.417 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(O)CCSC2)CC1(C)C ZINC000623439055 346756370 /nfs/dbraw/zinc/75/63/70/346756370.db2.gz UIGHZNXQOCWWTP-WCQYABFASA-N 2 0 258.431 1.317 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CC(=O)N(C3CC3)C2)CC1(C)C ZINC000623439543 346758520 /nfs/dbraw/zinc/75/85/20/346758520.db2.gz NWTNCYGSPWADPX-NEPJUHHUSA-N 2 0 265.401 1.212 10 0 CDAERP CCC[NH2+][C@@H](CCO)CN1CCC(C[NH+](C)C)CC1 ZINC000085922270 179200490 /nfs/dbraw/zinc/20/04/90/179200490.db2.gz WMJGPKPOMJOENM-HNNXBMFYSA-N 2 0 271.449 1.011 10 0 CDAERP CCC[NH2+][C@@H](CCO)CN(C)C1CC[NH+](CC)CC1 ZINC000085922442 179201506 /nfs/dbraw/zinc/20/15/06/179201506.db2.gz HPCUXUXPXYVNDB-AWEZNQCLSA-N 2 0 271.449 1.153 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612962704 347340821 /nfs/dbraw/zinc/34/08/21/347340821.db2.gz IYHKARIUTHOTJB-OLZOCXBDSA-N 2 0 282.432 1.158 10 0 CDAERP CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086172095 179244390 /nfs/dbraw/zinc/24/43/90/179244390.db2.gz MBOYHUBKKBMNNG-RBSFLKMASA-N 2 0 253.434 1.789 10 0 CDAERP CCC[NH+]1CCC(N2CC[NH2+]C[C@H]2C(C)C)CC1 ZINC000086177462 179246409 /nfs/dbraw/zinc/24/64/09/179246409.db2.gz DZMUBKZGXUYMKH-HNNXBMFYSA-N 2 0 253.434 1.791 10 0 CDAERP CC[C@@H]1C[NH2+]C(C)(C)CN1C[C@@H]1CCCC[N@@H+]1C ZINC000086259381 179258129 /nfs/dbraw/zinc/25/81/29/179258129.db2.gz RJJGJUJCSZTHLZ-KGLIPLIRSA-N 2 0 253.434 1.933 10 0 CDAERP COCC[C@@H](COC)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623528459 347617007 /nfs/dbraw/zinc/61/70/07/347617007.db2.gz NTPYVXZAILVSII-STQMWFEESA-N 2 0 258.406 1.500 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)NCC[NH+]1CCC1 ZINC000355138627 365937805 /nfs/dbraw/zinc/93/78/05/365937805.db2.gz XOFJGLGYHXXXMY-CYBMUJFWSA-N 2 0 253.390 1.073 10 0 CDAERP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC/C=C/C[NH3+])o1 ZINC000641865048 365950607 /nfs/dbraw/zinc/95/06/07/365950607.db2.gz OFIBPZDZADOLKE-SNAWJCMRSA-N 2 0 294.399 1.176 10 0 CDAERP CC[C@@H]1C[N@H+](C)CCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC000614343222 348085115 /nfs/dbraw/zinc/08/51/15/348085115.db2.gz SURQKQZPCBUMPH-UONOGXRCSA-N 2 0 267.417 1.271 10 0 CDAERP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)cc1 ZINC000091547243 349333150 /nfs/dbraw/zinc/33/31/50/349333150.db2.gz QHTIMAYBRLZTAU-STQMWFEESA-N 2 0 261.369 1.814 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)C1CC[NH+](C)CC1 ZINC000620623616 350293480 /nfs/dbraw/zinc/29/34/80/350293480.db2.gz BSCZNHHWGRVKSA-UHFFFAOYSA-N 2 0 269.433 1.565 10 0 CDAERP CC[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H](C)[NH2+]1 ZINC000620902009 350372039 /nfs/dbraw/zinc/37/20/39/350372039.db2.gz HVAQPDRDVBQTTI-UONOGXRCSA-N 2 0 267.417 1.317 10 0 CDAERP CC(C)O[C@H]1C[C@H]([NH2+]CCOCCC[NH3+])C1(C)C ZINC000629535818 362961160 /nfs/dbraw/zinc/96/11/60/362961160.db2.gz DCFFPRDKSIJSNC-STQMWFEESA-N 2 0 258.406 1.534 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000629535147 362961183 /nfs/dbraw/zinc/96/11/83/362961183.db2.gz BTIIPOLJNACONJ-QLFBSQMISA-N 2 0 270.417 1.537 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)CCOc1ccccc1Cl ZINC000629568762 363021203 /nfs/dbraw/zinc/02/12/03/363021203.db2.gz WRNUBEFESPWHME-UHFFFAOYSA-N 2 0 286.803 1.887 10 0 CDAERP c1n[nH]cc1C[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000624211724 351484364 /nfs/dbraw/zinc/48/43/64/351484364.db2.gz BBRUKWDNPXYEPU-UHFFFAOYSA-N 2 0 299.422 1.317 10 0 CDAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCCC1CC[NH+](C)CC1 ZINC000333650696 363077715 /nfs/dbraw/zinc/07/77/15/363077715.db2.gz VRGLOSJHNVCLCP-JSGCOSHPSA-N 2 0 282.432 1.016 10 0 CDAERP C[C@H](C[NH2+][C@H](C)[C@H]1CC1(C)C)CN1CC[NH+](C)CC1 ZINC000487324222 366039363 /nfs/dbraw/zinc/03/93/63/366039363.db2.gz TVXHCFAWIUWLPT-RBSFLKMASA-N 2 0 267.461 1.894 10 0 CDAERP CC1(C)COC[C@@H]1[NH2+]C/C=C\C[NH2+][C@@H]1COCC1(C)C ZINC000451809661 363131777 /nfs/dbraw/zinc/13/17/77/363131777.db2.gz JORLVOOQCQODMD-YOQOKRQFSA-N 2 0 282.428 1.572 10 0 CDAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000333894856 363210167 /nfs/dbraw/zinc/21/01/67/363210167.db2.gz YWIAYESRHJOMQK-SWLSCSKDSA-N 2 0 294.443 1.158 10 0 CDAERP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](COC)CC1 ZINC000569938286 363226877 /nfs/dbraw/zinc/22/68/77/363226877.db2.gz VTJXXCWNKANSOK-ZIAGYGMSSA-N 2 0 258.406 1.048 10 0 CDAERP C[C@@H](CNC(=O)N[C@@H]1CCCC[NH2+]C1)C[NH+]1CCCCC1 ZINC000333939601 363241447 /nfs/dbraw/zinc/24/14/47/363241447.db2.gz NHWLDDBUUNWOGM-LSDHHAIUSA-N 2 0 296.459 1.550 10 0 CDAERP CO[C@]1(CO)CCC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000401727344 482709279 /nfs/dbraw/zinc/70/92/79/482709279.db2.gz RLDFLMHWIFEMJA-LSDHHAIUSA-N 2 0 270.417 1.334 10 0 CDAERP C1=C(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)COCC1 ZINC000629649563 363249733 /nfs/dbraw/zinc/24/97/33/363249733.db2.gz WCWGXNRJHFNFKA-LSDHHAIUSA-N 2 0 250.386 1.797 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1ccc2c(c1)CCO2 ZINC000629653593 363255269 /nfs/dbraw/zinc/25/52/69/363255269.db2.gz QUIBNJJRAVCJDX-UHFFFAOYSA-N 2 0 264.369 1.289 10 0 CDAERP Cc1cnn(CCN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000336322069 363366993 /nfs/dbraw/zinc/36/69/93/363366993.db2.gz UIVFQQMGEKYQCR-CABCVRRESA-N 2 0 262.401 1.608 10 0 CDAERP C[NH2+]C[C@@H]1CCN(Cc2cc(-c3cnn(C)c3)no2)C1 ZINC000570162780 363397693 /nfs/dbraw/zinc/39/76/93/363397693.db2.gz YJSDBGMJXCSVRW-NSHDSACASA-N 2 0 275.356 1.116 10 0 CDAERP CC1(C)CN(C(=O)C2(C[NH3+])CCCC2)CC[C@@H]1[NH3+] ZINC000336378727 356156882 /nfs/dbraw/zinc/15/68/82/356156882.db2.gz CYWJRJFRPXNWDQ-NSHDSACASA-N 2 0 253.390 1.091 10 0 CDAERP OC1CCN([C@@H]2CC[N@H+](CC3CCCCC3)C[C@H]2O)CC1 ZINC000012712090 356320042 /nfs/dbraw/zinc/32/00/42/356320042.db2.gz KYTYTHNZXUUJNZ-IAGOWNOFSA-N 2 0 296.455 1.459 10 0 CDAERP CCN(C(=O)[C@@H]1CCn2cc(C)nc2C1)[C@@H]1CC[N@H+](C)C1 ZINC000628053744 356455338 /nfs/dbraw/zinc/45/53/38/356455338.db2.gz IBGRPPWWTXTVBO-ZIAGYGMSSA-N 2 0 290.411 1.307 10 0 CDAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC2CCCCCC2)CC1 ZINC000644659868 366323840 /nfs/dbraw/zinc/32/38/40/366323840.db2.gz AOSGVNBYTWKEEU-INIZCTEOSA-N 2 0 283.460 1.155 10 0 CDAERP C[C@H]([NH3+])CC[NH2+]CCCCCCCC[NH2+]CC[C@H](C)[NH3+] ZINC000013650078 356687528 /nfs/dbraw/zinc/68/75/28/356687528.db2.gz VLYRLIMLXGWDID-HOTGVXAUSA-N 4 0 286.508 1.981 10 0 CDAERP CCOc1cc(C[NH2+]C[C@@H]2CCCN2C)ccc1O ZINC000221165497 356928792 /nfs/dbraw/zinc/92/87/92/356928792.db2.gz DQCGJHRPDFBAPF-ZDUSSCGKSA-N 2 0 264.369 1.975 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1CSc2ccccc2O1)C1C[NH2+]C1 ZINC000572644195 363574850 /nfs/dbraw/zinc/57/48/50/363574850.db2.gz XQJGXPKUBWHQGH-CMPLNLGQSA-N 2 0 264.394 1.737 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)C[C@](C)(O)C2CC2)C1 ZINC000634702054 357375832 /nfs/dbraw/zinc/37/58/32/357375832.db2.gz ZXXOUEQAFRBCPK-PVAVHDDUSA-N 2 0 298.471 1.608 10 0 CDAERP CC(C)C[C@H]([NH3+])c1noc([C@H]2CC23CC[NH2+]CC3)n1 ZINC000573119578 357662407 /nfs/dbraw/zinc/66/24/07/357662407.db2.gz DKCWHASKMXYMKB-MNOVXSKESA-N 2 0 264.373 1.973 10 0 CDAERP CC[N@@H+]1CC[C@H](CNCc2c(Cl)cnn2C)C1 ZINC000130551782 358313795 /nfs/dbraw/zinc/31/37/95/358313795.db2.gz PKKMEHIYVRBUFG-SNVBAGLBSA-N 2 0 256.781 1.505 10 0 CDAERP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NCC1([NH3+])CCCCCC1 ZINC000418288610 370664079 /nfs/dbraw/zinc/66/40/79/370664079.db2.gz WOBRAPXXISGGEE-ZIAGYGMSSA-N 2 0 296.459 1.855 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634771524 358530999 /nfs/dbraw/zinc/53/09/99/358530999.db2.gz YCADDRJLQRUSQN-ZFWWWQNUSA-N 2 0 267.417 1.176 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)[C@@H]1CCC[NH2+]C1 ZINC000569591885 358656256 /nfs/dbraw/zinc/65/62/56/358656256.db2.gz NIQUIQKBTWWCGK-RWMBFGLXSA-N 2 0 293.377 1.848 10 0 CDAERP CC1CC[NH+](CCNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000040772541 358682641 /nfs/dbraw/zinc/68/26/41/358682641.db2.gz OBEILDGYEHYHAK-PMPSAXMXSA-N 2 0 293.455 1.755 10 0 CDAERP C[NH2+][C@H](C)C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000054075553 358701257 /nfs/dbraw/zinc/70/12/57/358701257.db2.gz XSSALIZWEXHILC-GFCCVEGCSA-N 2 0 255.406 1.173 10 0 CDAERP CC1CC[NH+](CCNC(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000054308629 358712043 /nfs/dbraw/zinc/71/20/43/358712043.db2.gz DXWDZUCGGUMAOK-CQSZACIVSA-N 2 0 267.417 1.224 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C[N@@H+]1C1CC1 ZINC000346886861 359099971 /nfs/dbraw/zinc/09/99/71/359099971.db2.gz DBMTUVIZJWOSPB-TZMCWYRMSA-N 2 0 279.428 1.460 10 0 CDAERP [NH3+][C@H](CNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+])C1CC1 ZINC000261974581 359109845 /nfs/dbraw/zinc/10/98/45/359109845.db2.gz VDTWSDDRXOVYNO-JHJVBQTASA-N 2 0 253.390 1.138 10 0 CDAERP C[C@H]1CCC[N@H+](CCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC000347528450 359451213 /nfs/dbraw/zinc/45/12/13/359451213.db2.gz PZBWLGGTWUOWJS-AWEZNQCLSA-N 2 0 281.444 1.566 10 0 CDAERP COCC[N@H+](C)CCCC1CC[NH+](CC2(O)CCC2)CC1 ZINC000347602722 359490964 /nfs/dbraw/zinc/49/09/64/359490964.db2.gz NLVLQRXYBNWQDC-UHFFFAOYSA-N 2 0 298.471 1.972 10 0 CDAERP C[N@@H+]1C[C@]23C[NH+](C[C@H](O)C4CC4)C[C@@]2(C1)CCCC3 ZINC001660700837 1172260518 /nfs/dbraw/zinc/26/05/18/1172260518.db2.gz NZCIBZAINPGFFV-HRCADAONSA-N 2 0 264.413 1.565 10 0 CDAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@]1(CCO)CCOC1 ZINC000422892123 359667216 /nfs/dbraw/zinc/66/72/16/359667216.db2.gz XLXQKUYXIHVQGQ-PMPSAXMXSA-N 2 0 284.444 1.676 10 0 CDAERP CC(C)[NH+]1CCC(N[C@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000422991128 359702745 /nfs/dbraw/zinc/70/27/45/359702745.db2.gz OFZQJGHXJRTXNF-HZPDHXFCSA-N 2 0 281.444 1.216 10 0 CDAERP C[C@H]([NH2+][C@@H](c1ccccc1)[C@H]1CCOC1)C1C[NH2+]C1 ZINC000422989108 359700942 /nfs/dbraw/zinc/70/09/42/359700942.db2.gz LRNCTZFWHSCWOW-NOLJZWGESA-N 2 0 260.381 1.962 10 0 CDAERP COC[C@]1(C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)CCC[NH2+]1 ZINC000423411498 359773020 /nfs/dbraw/zinc/77/30/20/359773020.db2.gz FTNNADSHVLKDGO-YLFCFFPRSA-N 2 0 296.455 1.940 10 0 CDAERP O=C1NCCC[C@H]1[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000050395156 359784526 /nfs/dbraw/zinc/78/45/26/359784526.db2.gz HOLWDERSSYHEIJ-CQSZACIVSA-N 2 0 270.336 1.241 10 0 CDAERP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CC[NH2+]1 ZINC000423384011 359785003 /nfs/dbraw/zinc/78/50/03/359785003.db2.gz PSNCTACPOYMDJS-KJWHEZOQSA-N 2 0 251.418 1.589 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+][C@H]2CC[C@@H]2C(C)(C)C)CC1 ZINC000348102894 359836246 /nfs/dbraw/zinc/83/62/46/359836246.db2.gz BAUOFYYVOFABOH-STQMWFEESA-N 2 0 254.418 1.857 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(CC)CCC[NH+](C)C ZINC000348158607 359863748 /nfs/dbraw/zinc/86/37/48/359863748.db2.gz MUGSUKARUITYFC-CQSZACIVSA-N 2 0 269.433 1.661 10 0 CDAERP CC[NH+](CC)CC1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000336821948 359880838 /nfs/dbraw/zinc/88/08/38/359880838.db2.gz JVSZPBGEJCCHPS-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@]1(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)CC[NH2+]C1 ZINC000062891506 360009303 /nfs/dbraw/zinc/00/93/03/360009303.db2.gz YFBGAZWJADMYIY-ZFWWWQNUSA-N 2 0 269.433 1.469 10 0 CDAERP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCN(C)C(=O)C1 ZINC000424369211 360023975 /nfs/dbraw/zinc/02/39/75/360023975.db2.gz CJIIATBDFVANOW-BPUTZDHNSA-N 2 0 289.423 1.403 10 0 CDAERP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H]2CCOC2)C1 ZINC000348373127 360032898 /nfs/dbraw/zinc/03/28/98/360032898.db2.gz VXRSDRUDWDMRFY-ZIAGYGMSSA-N 2 0 256.390 1.208 10 0 CDAERP C[NH+](C)[C@@H]1CCN(C(=O)[C@@](C)([NH3+])c2ccccc2)C1 ZINC000062972366 360037165 /nfs/dbraw/zinc/03/71/65/360037165.db2.gz OSQBIZHGLSDVBY-HIFRSBDPSA-N 2 0 261.369 1.023 10 0 CDAERP C[C@H]1CCC[C@H]1[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000337461435 360149638 /nfs/dbraw/zinc/14/96/38/360149638.db2.gz KOZNZBULHKJPNV-SWLSCSKDSA-N 2 0 279.428 1.508 10 0 CDAERP CC(C)CCC1(C(=O)NCC[NH+](C)C)CC[NH2+]CC1 ZINC000616593749 360123372 /nfs/dbraw/zinc/12/33/72/360123372.db2.gz YTWYYPKBCSAYHH-UHFFFAOYSA-N 2 0 269.433 1.470 10 0 CDAERP C[NH+]1CCC(C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])CC1 ZINC000335428665 360168410 /nfs/dbraw/zinc/16/84/10/360168410.db2.gz KIPARUKGVHFXAN-INIZCTEOSA-N 2 0 287.407 1.413 10 0 CDAERP CN(C(=O)[C@H]1C[NH2+]Cc2ccccc21)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000335463033 360215316 /nfs/dbraw/zinc/21/53/16/360215316.db2.gz JWEYOLNRKDZVDQ-WBVHZDCISA-N 2 0 299.418 1.569 10 0 CDAERP C[NH+](C)CCN1CCC([NH2+]C[C@]2(C)CCCS2)CC1 ZINC000628201592 360239537 /nfs/dbraw/zinc/23/95/37/360239537.db2.gz MPQWRISEIHCXDO-HNNXBMFYSA-N 2 0 285.501 1.888 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H]1CCC[N@H+](CC)C1 ZINC000337638815 360303081 /nfs/dbraw/zinc/30/30/81/360303081.db2.gz DKPYLPPXFALHNL-CABCVRRESA-N 2 0 298.475 1.748 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000335603260 360537202 /nfs/dbraw/zinc/53/72/02/360537202.db2.gz DTWUWYWUFBFKFG-CYBMUJFWSA-N 2 0 265.401 1.215 10 0 CDAERP C[NH+]1CCN(CCC[NH2+][C@@H]2CC[C@H]2C2CCC2)CC1 ZINC000337998221 360608474 /nfs/dbraw/zinc/60/84/74/360608474.db2.gz RHZCRPJOGHGDFD-JKSUJKDBSA-N 2 0 265.445 1.792 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)C[NH2+]1 ZINC000626941988 360674406 /nfs/dbraw/zinc/67/44/06/360674406.db2.gz IJPWLQRFRMHEMY-IUODEOHRSA-N 2 0 294.443 1.301 10 0 CDAERP C[C@@H]([NH3+])[C@H]1CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000417943145 296028944 /nfs/dbraw/zinc/02/89/44/296028944.db2.gz UNAYWLZLCVRKQF-JLVJUDLZSA-N 2 0 296.459 1.486 10 0 CDAERP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000335049989 296029801 /nfs/dbraw/zinc/02/98/01/296029801.db2.gz BRRDLKJWTVSNBP-DYVFJYSZSA-N 2 0 287.407 1.922 10 0 CDAERP C[C@@H](CCC[NH3+])NC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000519546267 361345639 /nfs/dbraw/zinc/34/56/39/361345639.db2.gz UHNMXDVFIZJUSR-WFASDCNBSA-N 2 0 290.411 1.382 10 0 CDAERP C[C@@H](CC(N)=O)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000351499511 361718502 /nfs/dbraw/zinc/71/85/02/361718502.db2.gz CKIVBOWSZHBXTN-ZDUSSCGKSA-N 2 0 275.396 1.636 10 0 CDAERP CNC(=O)c1ccc(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000336621408 363878909 /nfs/dbraw/zinc/87/89/09/363878909.db2.gz VCWYMYWVYTXJTI-GJZGRUSLSA-N 2 0 273.380 1.230 10 0 CDAERP C[N@@H+]1CCC[C@@]2(CCN(Cc3cc(C(N)=O)cs3)C2)C1 ZINC000293671997 370741202 /nfs/dbraw/zinc/74/12/02/370741202.db2.gz OXLOUNRGJGBDDJ-OAHLLOKOSA-N 2 0 293.436 1.765 10 0 CDAERP CC(C)[NH2+]CCN1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000375599094 364719469 /nfs/dbraw/zinc/71/94/69/364719469.db2.gz RWBUXRSLUSUKIY-HNNXBMFYSA-N 2 0 253.434 1.935 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000516568732 366872552 /nfs/dbraw/zinc/87/25/52/366872552.db2.gz WDOBNUYAJXUHEC-SOUVJXGZSA-N 2 0 296.459 1.772 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000626960071 366907593 /nfs/dbraw/zinc/90/75/93/366907593.db2.gz LHCQJDPRFLILQA-GXTWGEPZSA-N 2 0 282.432 1.158 10 0 CDAERP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)[C@H]1C[C@H]1C ZINC000414065366 241050824 /nfs/dbraw/zinc/05/08/24/241050824.db2.gz OILQRQJDPLWRSY-IPYPFGDCSA-N 2 0 253.434 1.647 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000136460999 482918840 /nfs/dbraw/zinc/91/88/40/482918840.db2.gz KNTFATSDJLGLCA-CYBMUJFWSA-N 2 0 255.406 1.160 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]C2CCC(C(N)=O)CC2)[C@@H](C)C1 ZINC000358169791 367486659 /nfs/dbraw/zinc/48/66/59/367486659.db2.gz DDSLGHHFHBJOOH-ABXWRUBCSA-N 2 0 267.417 1.350 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[NH+](C(C)(C)CC)CC1 ZINC000627158193 367585716 /nfs/dbraw/zinc/58/57/16/367585716.db2.gz MRYAWYFXDQEZMG-UONOGXRCSA-N 2 0 296.459 1.643 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000627167496 367603259 /nfs/dbraw/zinc/60/32/59/367603259.db2.gz GNJMFGXNCVWNHB-HZSPNIEDSA-N 2 0 282.432 1.299 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000233455536 367590899 /nfs/dbraw/zinc/59/08/99/367590899.db2.gz SFIWURIJOGKUBG-OLZOCXBDSA-N 2 0 269.433 1.611 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000416997385 242256527 /nfs/dbraw/zinc/25/65/27/242256527.db2.gz AAHRCWTYEQHNOJ-KGLIPLIRSA-N 2 0 286.464 1.732 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C[NH2+]1 ZINC000627205735 367703289 /nfs/dbraw/zinc/70/32/89/367703289.db2.gz CVKCXCBQVKLYSN-YUELXQCFSA-N 2 0 294.443 1.301 10 0 CDAERP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627205992 367703297 /nfs/dbraw/zinc/70/32/97/367703297.db2.gz GFRORDPQSVSPTF-NDBYEHHHSA-N 2 0 268.405 1.038 10 0 CDAERP C[C@H]1CC[C@@H](NC(=O)N(CCC[NH3+])CC2CCCC2)C[NH2+]1 ZINC000627208659 367706401 /nfs/dbraw/zinc/70/64/01/367706401.db2.gz BJMSZSIQRRFUQL-DZGCQCFKSA-N 2 0 296.459 1.678 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)C1=CC[C@@H]([NH3+])C1)c1cccs1 ZINC000638049604 367784820 /nfs/dbraw/zinc/78/48/20/367784820.db2.gz NARPSDVTDDPJDB-VXGBXAGGSA-N 2 0 279.409 1.515 10 0 CDAERP CC(C)(C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)c1c[nH]cn1 ZINC000530026869 368120306 /nfs/dbraw/zinc/12/03/06/368120306.db2.gz JRZBEIBCPXTXQL-ZDUSSCGKSA-N 2 0 290.411 1.820 10 0 CDAERP C[N@H+](CC[C@H]1CCCC[NH+]1C)CC1(O)CCOCC1 ZINC000123785483 368201007 /nfs/dbraw/zinc/20/10/07/368201007.db2.gz ZRORNJMCGZQHAH-CQSZACIVSA-N 2 0 270.417 1.334 10 0 CDAERP CC(C)[C@@H]([NH3+])CNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000418397659 243027701 /nfs/dbraw/zinc/02/77/01/243027701.db2.gz DMBLQUGTRRHZPV-HNNXBMFYSA-N 2 0 296.459 1.487 10 0 CDAERP CC(C)[C@@H]1CC[C@H]([NH2+]CCN2CC[NH2+]CC2)C[C@@H]1C ZINC000414873451 368532174 /nfs/dbraw/zinc/53/21/74/368532174.db2.gz XNZSQKUSOSOUIA-JYJNAYRXSA-N 2 0 267.461 1.942 10 0 CDAERP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C12CCC[NH+](CCC1)C2 ZINC000638147660 368559533 /nfs/dbraw/zinc/55/95/33/368559533.db2.gz XQNDWVRUHKBNDO-OLZOCXBDSA-N 2 0 265.401 1.058 10 0 CDAERP C[C@@H](NC(=O)N(CCC[NH3+])CC1CCCC1)[C@H](C)[NH3+] ZINC000418693363 243346785 /nfs/dbraw/zinc/34/67/85/243346785.db2.gz GWPLGQSWKFBNBA-NWDGAFQWSA-N 2 0 270.421 1.273 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCNC(=O)C2CCC2)[C@H]2CCC[C@@H]21 ZINC000367616081 369200506 /nfs/dbraw/zinc/20/05/06/369200506.db2.gz NHIDVYKRODWQOE-PMPSAXMXSA-N 2 0 293.455 1.755 10 0 CDAERP c1cnn(C2CC([NH2+][C@@H]3CCN4CCCC[C@@H]34)C2)c1 ZINC000638368743 369547191 /nfs/dbraw/zinc/54/71/91/369547191.db2.gz MQQOKRWVPMRIQD-CVSAEHQPSA-N 2 0 260.385 1.803 10 0 CDAERP Cc1nc(F)ccc1C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000290210288 369829263 /nfs/dbraw/zinc/82/92/63/369829263.db2.gz QKRRNLKWGVASEE-UHFFFAOYSA-N 2 0 296.434 1.844 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000418196849 370287431 /nfs/dbraw/zinc/28/74/31/370287431.db2.gz IKEXEOOTBKWAKR-KFWWJZLASA-N 2 0 296.459 1.500 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000418205742 370289591 /nfs/dbraw/zinc/28/95/91/370289591.db2.gz ZSRRFWCICDVROR-TUAOUCFPSA-N 2 0 258.410 1.142 10 0 CDAERP Cc1nc2c(c(N3CCN4CCOC[C@@H]4C3)n1)CCCC2 ZINC000371808873 370410108 /nfs/dbraw/zinc/41/01/08/370410108.db2.gz LIVHFLIYCAVNED-ZDUSSCGKSA-N 2 0 288.395 1.185 10 0 CDAERP COCC1(CC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000565892405 370560904 /nfs/dbraw/zinc/56/09/04/370560904.db2.gz GMWBMYMQULHIOR-QLFBSQMISA-N 2 0 282.428 1.550 10 0 CDAERP O[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccccc1 ZINC000422736211 245194950 /nfs/dbraw/zinc/19/49/50/245194950.db2.gz FVZOECJULYKTAA-QXULXFAOSA-N 2 0 260.381 1.463 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000422745228 245204103 /nfs/dbraw/zinc/20/41/03/245204103.db2.gz UVNYAOZCKUGLPJ-ZFWWWQNUSA-N 2 0 250.386 1.697 10 0 CDAERP C[C@H]([NH2+]Cc1ccccc1-n1cccn1)C1C[NH2+]C1 ZINC000422783615 245252026 /nfs/dbraw/zinc/25/20/26/245252026.db2.gz OMMIBTRXYBJFCO-LBPRGKRZSA-N 2 0 256.353 1.570 10 0 CDAERP C[NH2+]CCC1CCN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000573682577 371622188 /nfs/dbraw/zinc/62/21/88/371622188.db2.gz IEDHCJFOFQAPJL-JSGCOSHPSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@@H]1CN(C)C[C@H](C)N1C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000378027043 371800077 /nfs/dbraw/zinc/80/00/77/371800077.db2.gz NCTIOTOVJXEKBP-ZENOOKHLSA-N 2 0 299.434 1.750 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CC[C@H]1CCO[C@@H](C)C1 ZINC000423036671 245515625 /nfs/dbraw/zinc/51/56/25/245515625.db2.gz UNNQGPRDPKWOTB-IHRRRGAJSA-N 2 0 258.406 1.535 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](CCC[NH3+])COC)C1 ZINC000423095849 245564970 /nfs/dbraw/zinc/56/49/70/245564970.db2.gz NESLSXTVHWHAFD-AGIUHOORSA-N 2 0 272.389 1.062 10 0 CDAERP C[NH+](C)[C@@H]1CCN(C(=O)C2CC[NH+](C3CC3)CC2)C1 ZINC000194560017 372894597 /nfs/dbraw/zinc/89/45/97/372894597.db2.gz XNPNMGKFIBJCRX-CQSZACIVSA-N 2 0 265.401 1.023 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000645684764 373239414 /nfs/dbraw/zinc/23/94/14/373239414.db2.gz FFLJBQVOXRBTBO-MJBXVCDLSA-N 2 0 267.417 1.495 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)CCn1ccnc1 ZINC000341045894 373242756 /nfs/dbraw/zinc/24/27/56/373242756.db2.gz ABJMAVRMPXLYDH-KBPBESRZSA-N 2 0 278.400 1.652 10 0 CDAERP CC[C@H](C)[C@@H](C[NH2+]C1CCN(CCO)CC1)OC ZINC000399211537 373331802 /nfs/dbraw/zinc/33/18/02/373331802.db2.gz XYVAEJIFLMFMOW-GXTWGEPZSA-N 2 0 258.406 1.094 10 0 CDAERP Cc1nccn1C[C@@H]1CCC[N@@H+]1C[C@](C)(O)C(F)(F)F ZINC000253396745 373686082 /nfs/dbraw/zinc/68/60/82/373686082.db2.gz NVPKGDYAFLFJOB-RYUDHWBXSA-N 2 0 291.317 1.969 10 0 CDAERP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)C[C@@H]1C ZINC000418550423 374407054 /nfs/dbraw/zinc/40/70/54/374407054.db2.gz ANSGDDZWQUQCJB-ZOBORPQBSA-N 2 0 282.432 1.109 10 0 CDAERP O=C([C@H]1CCCC[NH2+]1)N1CCC(c2c[nH]cn2)CC1 ZINC000334146685 206076932 /nfs/dbraw/zinc/07/69/32/206076932.db2.gz QXEXRYXYYOJUDB-GFCCVEGCSA-N 2 0 262.357 1.258 10 0 CDAERP C[NH+](C)[C@H]1CCN(C(=O)NC[C@H]2CCCn3ccnc32)C1 ZINC000332691671 374618867 /nfs/dbraw/zinc/61/88/67/374618867.db2.gz TWLQPYVEQYBKTC-OLZOCXBDSA-N 2 0 291.399 1.106 10 0 CDAERP Cc1nc(N)nc(NCCCC[N@H+]2CCCC[C@@H]2C)n1 ZINC000631060828 374829695 /nfs/dbraw/zinc/82/96/95/374829695.db2.gz WLOZLWHVMQKXSD-NSHDSACASA-N 2 0 278.404 1.081 10 0 CDAERP CC[C@H](C(=O)NCC[N@@H+]1CCCC[C@@H]1C)[NH+](C)C ZINC000126411075 374999609 /nfs/dbraw/zinc/99/96/09/374999609.db2.gz UBSJBWBMOBTVHA-QWHCGFSZSA-N 2 0 255.406 1.317 10 0 CDAERP C[C@H](CNCc1nccn1C)C[NH+]1CCCCC1 ZINC000051923960 375589806 /nfs/dbraw/zinc/58/98/06/375589806.db2.gz MHHJXZMEURIFDA-CYBMUJFWSA-N 2 0 250.390 1.632 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000417288550 375745724 /nfs/dbraw/zinc/74/57/24/375745724.db2.gz RUZHEQTUNQQIII-HNNXBMFYSA-N 2 0 296.459 1.631 10 0 CDAERP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000417131841 375727594 /nfs/dbraw/zinc/72/75/94/375727594.db2.gz CBWPKSIEOFZNOW-LJISPDSOSA-N 2 0 292.427 1.149 10 0 CDAERP CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)[C@@H](C)[NH3+])c1ccco1 ZINC000417311707 375762054 /nfs/dbraw/zinc/76/20/54/375762054.db2.gz MJJZQOUEZIKUGR-FRRDWIJNSA-N 2 0 296.415 1.697 10 0 CDAERP C[N@H+](CCOCC(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000049311734 375906466 /nfs/dbraw/zinc/90/64/66/375906466.db2.gz GHHCALYHTCWTBB-ZACCUICWSA-N 2 0 266.307 1.780 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N(C)C2CC([NH3+])C2)CC1 ZINC000417391495 376316443 /nfs/dbraw/zinc/31/64/43/376316443.db2.gz NLYWYABKZKUEIY-UHFFFAOYSA-N 2 0 282.432 1.240 10 0 CDAERP COCC[NH2+]C1CC[NH+](C[C@@H]2CCO[C@H]2C)CC1 ZINC000631829296 376667682 /nfs/dbraw/zinc/66/76/82/376667682.db2.gz MQNLYVUVWNANPX-STQMWFEESA-N 2 0 256.390 1.112 10 0 CDAERP COc1ccccc1OCC[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631836561 376683137 /nfs/dbraw/zinc/68/31/37/376683137.db2.gz BNZCJKQGQGDSQD-STQMWFEESA-N 2 0 264.369 1.601 10 0 CDAERP C[C@@H]1C[N@H+](CCC(=O)NCC2CCCCC2)C[C@H]1C[NH3+] ZINC000631840328 376691312 /nfs/dbraw/zinc/69/13/12/376691312.db2.gz RLPUGBKARSVJAS-UKRRQHHQSA-N 2 0 281.444 1.600 10 0 CDAERP CCC1([NH+](C)C)CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000631865262 376745740 /nfs/dbraw/zinc/74/57/40/376745740.db2.gz FGSBNACHOFAUJV-UHFFFAOYSA-N 3 0 253.434 1.792 10 0 CDAERP FC(F)[C@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000631866439 376747841 /nfs/dbraw/zinc/74/78/41/376747841.db2.gz YGCPWGPZSUBREH-NWDGAFQWSA-N 2 0 262.344 1.732 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCCCCF ZINC001662225326 1172511584 /nfs/dbraw/zinc/51/15/84/1172511584.db2.gz QFKZRWRKRABVJI-BFHYXJOUSA-N 2 0 287.423 1.561 10 0 CDAERP CCC[C@@H](C(=O)NC[C@@H](C)C[NH+]1CCCC1)[NH+](C)C ZINC000161662930 377744280 /nfs/dbraw/zinc/74/42/80/377744280.db2.gz BHIMLIZSCFLFCG-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1CC[C@H]([NH3+])C1)C1CCCC1 ZINC000091544761 377894606 /nfs/dbraw/zinc/89/46/06/377894606.db2.gz RHKUGEWLIAPVCX-RYUDHWBXSA-N 2 0 253.390 1.104 10 0 CDAERP OCC[NH+]1CCC(C[NH2+]Cc2c(F)cccc2F)CC1 ZINC000069370521 378065841 /nfs/dbraw/zinc/06/58/41/378065841.db2.gz UNUVHRZGRZBLMK-UHFFFAOYSA-N 2 0 284.350 1.759 10 0 CDAERP [NH3+][C@@H]1CC[C@@H](C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000227794876 295319564 /nfs/dbraw/zinc/31/95/64/295319564.db2.gz QJZRCUGINOQHNB-MGPQQGTHSA-N 2 0 265.401 1.201 10 0 CDAERP CCN(C(=O)N[C@@H](C)C[NH+](CC)CC)[C@@H]1CC[N@H+](CC)C1 ZINC000663830788 412897203 /nfs/dbraw/zinc/89/72/03/412897203.db2.gz NYDZMYBJXISJPZ-LSDHHAIUSA-N 2 0 298.475 1.842 10 0 CDAERP Cc1nc(F)ccc1C[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000278586139 194056705 /nfs/dbraw/zinc/05/67/05/194056705.db2.gz ZBVUVKZLFMEDEK-GFCCVEGCSA-N 2 0 280.391 1.255 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccn(C)c1 ZINC000657573090 412904104 /nfs/dbraw/zinc/90/41/04/412904104.db2.gz JPGBUTPAGZOKLG-AWEZNQCLSA-N 2 0 266.433 1.387 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CCO[C@@H]1C ZINC000657573615 412908060 /nfs/dbraw/zinc/90/80/60/412908060.db2.gz RBZNXCQXWSXWDM-MJBXVCDLSA-N 2 0 257.422 1.025 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000634300519 379356927 /nfs/dbraw/zinc/35/69/27/379356927.db2.gz BFHWKTFWKDUMPB-MELADBBJSA-N 2 0 267.417 1.173 10 0 CDAERP CC(C)[C@H]1CN(C(=O)CC[C@@H]2CCC[NH2+]C2)CC[N@@H+]1C ZINC000634300700 379358865 /nfs/dbraw/zinc/35/88/65/379358865.db2.gz ILWIBPNUUBRMCA-LSDHHAIUSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655923507 412928597 /nfs/dbraw/zinc/92/85/97/412928597.db2.gz ZJHXUGKFKUGESO-ZJUUUORDSA-N 2 0 296.337 1.050 10 0 CDAERP C[C@@H]([NH3+])c1cc(F)ccc1N1CCC[N@H+](C)CC1 ZINC000020217772 171081248 /nfs/dbraw/zinc/08/12/48/171081248.db2.gz AXLCEZNKCVBELB-LLVKDONJSA-N 2 0 251.349 1.987 10 0 CDAERP CC[NH2+]CC1CCN(C(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000662431079 413012613 /nfs/dbraw/zinc/01/26/13/413012613.db2.gz YZTULXREBCRNGZ-UHFFFAOYSA-N 2 0 279.428 1.509 10 0 CDAERP OCCN1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423149559 285259457 /nfs/dbraw/zinc/25/94/57/285259457.db2.gz XTXSMFFIBBYHNP-YYIAUSFCSA-N 2 0 295.471 1.344 10 0 CDAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CC[C@@H]([NH3+])C3)CC[C@@H]21 ZINC000220876818 390270392 /nfs/dbraw/zinc/27/03/92/390270392.db2.gz IBFSGZPHTMOGHG-SYQHCUMBSA-N 2 0 265.401 1.057 10 0 CDAERP CC(=O)N[C@@H](CN1CCC([NH3+])CC1)c1ccccc1 ZINC000059732110 390503120 /nfs/dbraw/zinc/50/31/20/390503120.db2.gz XHGDFOYAARETHF-HNNXBMFYSA-N 2 0 261.369 1.287 10 0 CDAERP Cn1cc(CNC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cn1 ZINC000647248562 390654985 /nfs/dbraw/zinc/65/49/85/390654985.db2.gz IVVCFPVPKLXQTQ-SJORKVTESA-N 2 0 284.407 1.855 10 0 CDAERP c1cc2cnccc2c(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647535591 390685020 /nfs/dbraw/zinc/68/50/20/390685020.db2.gz UKQUPDNBRUQVQT-GASCZTMLSA-N 2 0 253.349 1.886 10 0 CDAERP C[C@]1(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)CC[NH2+]C1 ZINC000647479947 390966707 /nfs/dbraw/zinc/96/67/07/390966707.db2.gz YPIVJFASYJTWRR-KKUMJFAQSA-N 2 0 251.418 1.450 10 0 CDAERP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2ccc(N)nc2)cc1 ZINC000647546549 390989818 /nfs/dbraw/zinc/98/98/18/390989818.db2.gz OWNSBBQMEAEDQR-NSHDSACASA-N 2 0 256.353 1.804 10 0 CDAERP OCc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000647548897 390991479 /nfs/dbraw/zinc/99/14/79/390991479.db2.gz ZXXRHIAXPFTEKV-NWANDNLSSA-N 2 0 278.371 1.796 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)NC[C@H]([NH3+])c2ccccc2)CC[N@@H+]1C ZINC000417759602 391048960 /nfs/dbraw/zinc/04/89/60/391048960.db2.gz WKFIAKBIKCWYFY-YUELXQCFSA-N 2 0 290.411 1.468 10 0 CDAERP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423584387 391059338 /nfs/dbraw/zinc/05/93/38/391059338.db2.gz DOAMVWORMIMJSZ-MNOVXSKESA-N 2 0 262.357 1.147 10 0 CDAERP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527654888 391088194 /nfs/dbraw/zinc/08/81/94/391088194.db2.gz VWMNUHIGTFRAEH-TUUVXOQKSA-N 2 0 293.455 1.598 10 0 CDAERP C[NH+](C)[C@H]1CCN(C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000170826839 292876202 /nfs/dbraw/zinc/87/62/02/292876202.db2.gz JDPPVMCBVUPYMT-AWEZNQCLSA-N 2 0 282.432 1.208 10 0 CDAERP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)NCCC[NH3+])CC1 ZINC000418315305 391299569 /nfs/dbraw/zinc/29/95/69/391299569.db2.gz URHXBAYBUCUSMB-UHFFFAOYSA-N 2 0 298.475 1.877 10 0 CDAERP CSC1(C[NH2+]C[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000310417832 391311271 /nfs/dbraw/zinc/31/12/71/391311271.db2.gz PYIXDCBLXURXEV-LBPRGKRZSA-N 2 0 258.431 1.318 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)C[C@H](C)O1 ZINC000648433410 391319252 /nfs/dbraw/zinc/31/92/52/391319252.db2.gz FQKAFYWEQAKARV-CBBWQLFWSA-N 2 0 270.417 1.379 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(C3CC3)C2)[C@H]2CCC[C@H]21 ZINC000353620937 391398561 /nfs/dbraw/zinc/39/85/61/391398561.db2.gz KVIHCAYUYYWKJT-REBRKWNGSA-N 2 0 277.412 1.212 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000335433700 391431188 /nfs/dbraw/zinc/43/11/88/391431188.db2.gz AETQUMZMDYZTOU-OLZOCXBDSA-N 2 0 282.432 1.382 10 0 CDAERP C[NH+](C)C1CN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000335630435 391457110 /nfs/dbraw/zinc/45/71/10/391457110.db2.gz CITALFCISVBFDI-UHFFFAOYSA-N 2 0 260.341 1.068 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000417815465 391483168 /nfs/dbraw/zinc/48/31/68/391483168.db2.gz OOTOQEQHBUHMMI-ZIAGYGMSSA-N 2 0 282.432 1.112 10 0 CDAERP CCc1ccccc1[C@H]([NH3+])CNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000417836996 391502891 /nfs/dbraw/zinc/50/28/91/391502891.db2.gz OYCJEORJNJACMW-WBVHZDCISA-N 2 0 289.423 1.755 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000417847720 391518291 /nfs/dbraw/zinc/51/82/91/391518291.db2.gz ZOQMFSSVCIAUDR-OCCSQVGLSA-N 2 0 263.385 1.710 10 0 CDAERP CC(C)OCCC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000116399848 391533732 /nfs/dbraw/zinc/53/37/32/391533732.db2.gz LWAJGBQPVILSLN-QGZVFWFLSA-N 2 0 297.487 1.903 10 0 CDAERP Cn1cnc(CCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000647801276 391664402 /nfs/dbraw/zinc/66/44/02/391664402.db2.gz UFXFXEYHHGGFSG-MCIONIFRSA-N 2 0 277.416 1.258 10 0 CDAERP CC(=O)c1ccc2c(c1)CC[N@@H+](C[C@@H]1CC[NH2+]C1)CC2 ZINC000647990900 391672468 /nfs/dbraw/zinc/67/24/68/391672468.db2.gz UBOSZOIQLCIJFR-CQSZACIVSA-N 2 0 272.392 1.899 10 0 CDAERP C1[C@@H]2C[C@@H]([NH2+][C@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C[C@H]12 ZINC000424368469 391672908 /nfs/dbraw/zinc/67/29/08/391672908.db2.gz BIPYJTNAVCRFKN-IWTMDLJTSA-N 2 0 250.386 1.532 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)NCCCCC[NH+]1CCCCC1 ZINC000417697154 391750908 /nfs/dbraw/zinc/75/09/08/391750908.db2.gz CLTSGGGONZRRET-KBPBESRZSA-N 2 0 284.448 1.678 10 0 CDAERP C[C@H](CC1CC1)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415049517 391725333 /nfs/dbraw/zinc/72/53/33/391725333.db2.gz HLVXMCPAALQXCS-IUDNXUCKSA-N 2 0 265.445 1.981 10 0 CDAERP C[C@@H](CC1CC1)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415049519 391726151 /nfs/dbraw/zinc/72/61/51/391726151.db2.gz HLVXMCPAALQXCS-JEYLPNPQSA-N 2 0 265.445 1.981 10 0 CDAERP CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000353611778 391726542 /nfs/dbraw/zinc/72/65/42/391726542.db2.gz ZXXIILGXXPLYDD-VQHPVUNQSA-N 2 0 293.455 1.707 10 0 CDAERP CC1(C)C[NH2+][C@@H]1C(=O)NCC1([NH3+])CCCCCC1 ZINC000647652565 391807580 /nfs/dbraw/zinc/80/75/80/391807580.db2.gz BUBHCVADOQUWMW-LLVKDONJSA-N 2 0 253.390 1.152 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCCC[NH2+]C2)C[N@@H+]1C1CC1 ZINC000333418710 391868862 /nfs/dbraw/zinc/86/88/62/391868862.db2.gz SFCYXQBHVCMMNL-FRRDWIJNSA-N 2 0 280.416 1.053 10 0 CDAERP C[N@H+](CCNC(=O)CCC(C)(C)[NH3+])C1CCCCC1 ZINC000649293923 391907790 /nfs/dbraw/zinc/90/77/90/391907790.db2.gz RSEGLEVIJUFTGV-UHFFFAOYSA-N 2 0 269.433 1.885 10 0 CDAERP CC[C@H](C)[N@H+](C)CCN[C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261908852 392025974 /nfs/dbraw/zinc/02/59/74/392025974.db2.gz IQRZPWQIDPHMSX-JJXSEGSLSA-N 2 0 283.460 1.463 10 0 CDAERP CC(C)(C)[C@@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C[C@@H]1O ZINC000261914604 392026299 /nfs/dbraw/zinc/02/62/99/392026299.db2.gz JQEOZIQETFOMFB-MCIONIFRSA-N 2 0 254.418 1.715 10 0 CDAERP Cc1cc([C@@H]2CCC[N@H+](C[C@]3(C)CC[NH2+]C3)C2)[nH]n1 ZINC000261998022 392030104 /nfs/dbraw/zinc/03/01/04/392030104.db2.gz KYRMNAAMZUTFPC-UKRRQHHQSA-N 2 0 262.401 1.897 10 0 CDAERP CC(C)[C@@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000336785471 392058832 /nfs/dbraw/zinc/05/88/32/392058832.db2.gz DRTPNQXEHPCKAV-CABCVRRESA-N 2 0 254.418 1.811 10 0 CDAERP COCCN1CC[C@@H]([NH2+]CCC[C@@H]2CCOC2)C1 ZINC000402384921 392097800 /nfs/dbraw/zinc/09/78/00/392097800.db2.gz PJPCXRMLKLHSQH-ZIAGYGMSSA-N 2 0 256.390 1.113 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCn2cc(C)cn2)[C@H](C)C1 ZINC000336808898 392097817 /nfs/dbraw/zinc/09/78/17/392097817.db2.gz SKFJGIOXLGVJTL-CABCVRRESA-N 2 0 264.417 1.854 10 0 CDAERP [NH3+]C1CCC(OCC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000567972659 392314209 /nfs/dbraw/zinc/31/42/09/392314209.db2.gz DULKUJLQDYAUGK-WUCCLRPBSA-N 2 0 295.427 1.016 10 0 CDAERP C[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(F)c(F)c1)C1C[NH2+]C1 ZINC000423082990 392329393 /nfs/dbraw/zinc/32/93/93/392329393.db2.gz XZEMCPCKIHSJCD-PWSUYJOCSA-N 2 0 284.350 1.313 10 0 CDAERP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@](C)(c2ccccc2)C1 ZINC000568164761 392378652 /nfs/dbraw/zinc/37/86/52/392378652.db2.gz ZICDFNYZMODMAX-IAGOWNOFSA-N 2 0 276.424 1.963 10 0 CDAERP COc1ccc(C[C@H](C)[NH2+]CCC[NH3+])c(C)c1OC ZINC000423179385 392419324 /nfs/dbraw/zinc/41/93/24/392419324.db2.gz CYOJJSCHJVQHJY-NSHDSACASA-N 2 0 266.385 1.882 10 0 CDAERP C[C@@H](NCCC[NH2+]Cc1cccnc1)[C@@H]1CCC[NH2+]1 ZINC000423189509 392428569 /nfs/dbraw/zinc/42/85/69/392428569.db2.gz POURQEXACROLAC-HIFRSBDPSA-N 2 0 262.401 1.291 10 0 CDAERP C[C@@H]1C[C@H](Nc2ccc(N3CC[NH2+]CC3)cn2)CC[N@@H+]1C ZINC000423230746 392459143 /nfs/dbraw/zinc/45/91/43/392459143.db2.gz JWBDGEXOQKZZBX-ZIAGYGMSSA-N 2 0 289.427 1.386 10 0 CDAERP COc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH3+])cc1NC(C)=O ZINC000423299177 392494002 /nfs/dbraw/zinc/49/40/02/392494002.db2.gz POAOHMSIHYXYLP-QWRGUYRKSA-N 2 0 279.384 1.899 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000646652233 392618507 /nfs/dbraw/zinc/61/85/07/392618507.db2.gz FGIXAYOGFNVZIM-KGLIPLIRSA-N 2 0 267.417 1.509 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000335532754 392622244 /nfs/dbraw/zinc/62/22/44/392622244.db2.gz FEWJYEJVRJLIAP-JSGCOSHPSA-N 2 0 267.417 1.364 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCOCC2)[C@@H](C)O1 ZINC000449081052 392633111 /nfs/dbraw/zinc/63/31/11/392633111.db2.gz BJCKLTIPJBQIHI-MGPQQGTHSA-N 2 0 256.390 1.254 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC1CC1)[NH+](C)C ZINC001663503561 1172710119 /nfs/dbraw/zinc/71/01/19/1172710119.db2.gz SVOTUCKSJVYQFM-UONOGXRCSA-N 2 0 267.417 1.317 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCC(=O)NC2(C)C)C1 ZINC000495064411 393169536 /nfs/dbraw/zinc/16/95/36/393169536.db2.gz CQNDAWKYAFODNU-KBPBESRZSA-N 2 0 281.444 1.754 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CCCN2CCC[N@H+](C)CC2)[C@@H]1C ZINC000495083748 393174676 /nfs/dbraw/zinc/17/46/76/393174676.db2.gz ZDBWBNMGHOHMND-RBSFLKMASA-N 2 0 253.434 1.648 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+][C@@H]2C[C@H](C)[C@@H]2C)CC1 ZINC000494926235 393132733 /nfs/dbraw/zinc/13/27/33/393132733.db2.gz STURGWRSUDRWAA-SOUVJXGZSA-N 2 0 253.434 1.648 10 0 CDAERP C[C@@H](C[NH2+][C@H]1CCC(=O)NC1(C)C)C[NH+]1CCCCC1 ZINC000494925272 393133787 /nfs/dbraw/zinc/13/37/87/393133787.db2.gz STWKYQOJBZKGAX-KBPBESRZSA-N 2 0 281.444 1.755 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCN1CC[C@](O)(C(F)F)C1 ZINC000451417594 393260569 /nfs/dbraw/zinc/26/05/69/393260569.db2.gz BYLAJHWNXQHRBP-WCQYABFASA-N 2 0 262.344 1.563 10 0 CDAERP CC[C@H]([NH2+]C)C(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000662491885 413062876 /nfs/dbraw/zinc/06/28/76/413062876.db2.gz AEAZNFNTOULPNN-NSHDSACASA-N 2 0 250.346 1.114 10 0 CDAERP C[C@@H](CNC(=O)N(C)CC1C[NH+](C)C1)[N@@H+]1CCCC[C@@H]1C ZINC000660343740 413070268 /nfs/dbraw/zinc/07/02/68/413070268.db2.gz ZOCMFGKGZALNHL-KBPBESRZSA-N 2 0 296.459 1.452 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1[NH2+]CCCC1(C)C)C1CC1 ZINC000219908697 140168416 /nfs/dbraw/zinc/16/84/16/140168416.db2.gz JMZVHBVFUSJXPX-CYBMUJFWSA-N 2 0 267.417 1.365 10 0 CDAERP COC(=O)[C@@H]1CCC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000227372043 140184782 /nfs/dbraw/zinc/18/47/82/140184782.db2.gz APZHJEHBZAQOSQ-KGLIPLIRSA-N 2 0 268.401 1.746 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000234804451 140231688 /nfs/dbraw/zinc/23/16/88/140231688.db2.gz QNLDXYHDAYKJGL-AAEUAGOBSA-N 2 0 280.368 1.820 10 0 CDAERP C[NH2+]CC1CCN(C(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000237341913 140253274 /nfs/dbraw/zinc/25/32/74/140253274.db2.gz JZXZCOLUZPEOIK-GJZGRUSLSA-N 2 0 281.444 1.742 10 0 CDAERP C[C@@]1(C(=O)NCC2([NH3+])CCCCCC2)CC[NH2+]C1 ZINC000237488745 140255482 /nfs/dbraw/zinc/25/54/82/140255482.db2.gz JZMNAPYHCQCPGX-CYBMUJFWSA-N 2 0 253.390 1.154 10 0 CDAERP CC[N@H+](C)[C@H](C(=O)N[C@H]1C[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000250093589 140302136 /nfs/dbraw/zinc/30/21/36/140302136.db2.gz QKNZRRMZJQAFLS-BPUTZDHNSA-N 2 0 289.423 1.794 10 0 CDAERP C[NH+](C/C=C\C[N@@H+](C)C[C@@H]1CCCO1)C[C@@H]1CCCO1 ZINC000255371428 140337019 /nfs/dbraw/zinc/33/70/19/140337019.db2.gz RMHLXWDXDVSHLN-HFZJXRFXSA-N 2 0 282.428 1.764 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C[C@]2(C)CC[NH2+]C2)[C@H](C)C1 ZINC000261736573 140382572 /nfs/dbraw/zinc/38/25/72/140382572.db2.gz HZJRONQCYBGVDM-QLFBSQMISA-N 3 0 253.434 1.648 10 0 CDAERP [NH3+]CC1(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CCCC1 ZINC000261818139 140394631 /nfs/dbraw/zinc/39/46/31/140394631.db2.gz XNNKZKLDEXNCIB-UHFFFAOYSA-N 2 0 291.370 1.929 10 0 CDAERP [NH3+][C@@H]1CC[C@@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000262306161 140423269 /nfs/dbraw/zinc/42/32/69/140423269.db2.gz YHOIAALJRNFBEC-APIJFGDWSA-N 2 0 273.380 1.067 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)NCCC[NH+]1CCCC1 ZINC000419857277 397652641 /nfs/dbraw/zinc/65/26/41/397652641.db2.gz ZUGOPNREXMXKQV-HNNXBMFYSA-N 2 0 281.444 1.853 10 0 CDAERP CN(C(=O)[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1C[NH+]2CCC1CC2 ZINC000388668785 397793183 /nfs/dbraw/zinc/79/31/83/397793183.db2.gz BKWGJJJKYVYNGU-MGPQQGTHSA-N 2 0 265.401 1.057 10 0 CDAERP CC(C)C[C@H]([NH3+])c1noc([C@@H](N)CC[NH+](C)C)n1 ZINC000650226422 397796731 /nfs/dbraw/zinc/79/67/31/397796731.db2.gz IJEMQTQJFBKFMW-UWVGGRQHSA-N 2 0 255.366 1.067 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)C2CCC([NH3+])CC2)CC1 ZINC000037626343 398097427 /nfs/dbraw/zinc/09/74/27/398097427.db2.gz GMKCAIJWTJFKQL-UHFFFAOYSA-N 2 0 267.417 1.447 10 0 CDAERP CC[NH+]1CCC(C[NH2+][C@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667853251 483459693 /nfs/dbraw/zinc/45/96/93/483459693.db2.gz YDLRBIMWPHZBRF-CABCVRRESA-N 2 0 252.402 1.875 10 0 CDAERP CC1CC[NH+](CCC[NH2+]C2CCC([NH3+])CC2)CC1 ZINC000094075179 147078520 /nfs/dbraw/zinc/07/85/20/147078520.db2.gz UTMYDUUXMBFYLF-UHFFFAOYSA-N 3 0 253.434 1.968 10 0 CDAERP [NH3+]Cc1ccc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000094463000 147089338 /nfs/dbraw/zinc/08/93/38/147089338.db2.gz HSTBZZXSMLEAOP-AWEZNQCLSA-N 2 0 274.368 1.457 10 0 CDAERP CC[N@H+](CCNC(=O)N[C@H](CC(C)C)C[NH+](C)C)C1CC1 ZINC000101983469 147144667 /nfs/dbraw/zinc/14/46/67/147144667.db2.gz HHGHJUGGFDEUBK-CQSZACIVSA-N 2 0 298.475 1.746 10 0 CDAERP CNC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000103229290 147167599 /nfs/dbraw/zinc/16/75/99/147167599.db2.gz OTVYPJKBRJCYCE-HNNXBMFYSA-N 2 0 281.444 1.711 10 0 CDAERP CC[C@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)[C@H]1CCOC1 ZINC000658110079 413211485 /nfs/dbraw/zinc/21/14/85/413211485.db2.gz ZQEOYGDOYOOCKC-JYJNAYRXSA-N 2 0 285.476 1.663 10 0 CDAERP CC(C)OCC[NH+]1CCC(NC(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000178849578 148094670 /nfs/dbraw/zinc/09/46/70/148094670.db2.gz VVEKSQUHSXDJMY-KBPBESRZSA-N 2 0 297.443 1.119 10 0 CDAERP Cc1ccn2c(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)cnc2c1 ZINC000262066524 149008877 /nfs/dbraw/zinc/00/88/77/149008877.db2.gz BDQUIEQWNDMLBE-HNNXBMFYSA-N 2 0 299.422 1.122 10 0 CDAERP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1csc2ccccc12 ZINC000262090861 149014205 /nfs/dbraw/zinc/01/42/05/149014205.db2.gz GVIZGBHOEKCGOS-MFKMUULPSA-N 2 0 262.378 1.571 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCC(C)(C)[NH+]2CCCCC2)CC[NH2+]1 ZINC000262380704 149055347 /nfs/dbraw/zinc/05/53/47/149055347.db2.gz LLBFOUREGDKTLC-KBPBESRZSA-N 2 0 281.444 1.755 10 0 CDAERP O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262423048 149062126 /nfs/dbraw/zinc/06/21/26/149062126.db2.gz GAGSARMQBBMTJU-WVCDBTDCSA-N 2 0 277.412 1.306 10 0 CDAERP COCC[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658143195 413230705 /nfs/dbraw/zinc/23/07/05/413230705.db2.gz XMFJESOSRQENPS-PBHICJAKSA-N 2 0 292.423 1.768 10 0 CDAERP C[C@H](CO)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000680401345 483611229 /nfs/dbraw/zinc/61/12/29/483611229.db2.gz TXUYDKYOCRDZJK-MELADBBJSA-N 2 0 254.418 1.857 10 0 CDAERP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc2c(c1)ncn2C ZINC000334859328 150001389 /nfs/dbraw/zinc/00/13/89/150001389.db2.gz YQNSZCQBOPNXPS-AAEUAGOBSA-N 2 0 258.369 1.661 10 0 CDAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000335494583 150708750 /nfs/dbraw/zinc/70/87/50/150708750.db2.gz AQOBWQOLBLYRCP-KBPBESRZSA-N 2 0 281.444 1.565 10 0 CDAERP CCC[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001664396063 1172849924 /nfs/dbraw/zinc/84/99/24/1172849924.db2.gz ZZYUTWMVXVNFBH-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP [NH3+]CC1(CC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CCCCC1 ZINC000335809506 151038685 /nfs/dbraw/zinc/03/86/85/151038685.db2.gz DLXUBGVOCSWKEX-KGLIPLIRSA-N 2 0 279.428 1.496 10 0 CDAERP CCC1(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)CCOCC1 ZINC000335883906 151080665 /nfs/dbraw/zinc/08/06/65/151080665.db2.gz PJWFSLUHICICBU-UONOGXRCSA-N 2 0 252.402 1.877 10 0 CDAERP C[C@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000336219446 151369112 /nfs/dbraw/zinc/36/91/12/151369112.db2.gz YXQUUCZWGFZSEK-JSGCOSHPSA-N 2 0 267.417 1.317 10 0 CDAERP CCO[C@@H]1C[C@@H]([NH2+]CCCC[NH+](C)C)[C@@H]1SC ZINC000459394572 286280488 /nfs/dbraw/zinc/28/04/88/286280488.db2.gz XKWBPNGJPIHFAH-UPJWGTAASA-N 2 0 260.447 1.827 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]CCc2cc(C)no2)[C@H](C)C1 ZINC000353948860 156175873 /nfs/dbraw/zinc/17/58/73/156175873.db2.gz XUCJRLIFHMQWFA-RISCZKNCSA-N 2 0 251.374 1.845 10 0 CDAERP Cc1cc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)on1 ZINC000353980243 156200291 /nfs/dbraw/zinc/20/02/91/156200291.db2.gz ANWPPSPSCLHINW-SCDSUCTJSA-N 2 0 251.374 1.844 10 0 CDAERP CCOCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001664817659 1172916094 /nfs/dbraw/zinc/91/60/94/1172916094.db2.gz JSFWTWPNUWMYNR-HUUCEWRRSA-N 2 0 299.459 1.143 10 0 CDAERP CC(C)C[C@H]([NH2+][C@H]1CCOC[C@H]1C)C(=O)NCC[NH+](C)C ZINC000358985913 158091063 /nfs/dbraw/zinc/09/10/63/158091063.db2.gz KKBRMEINBODFKR-ILXRZTDVSA-N 2 0 299.459 1.094 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000662730309 413394750 /nfs/dbraw/zinc/39/47/50/413394750.db2.gz BXBIJBSTHIWSHR-UONOGXRCSA-N 2 0 263.385 1.219 10 0 CDAERP C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000414946909 298287531 /nfs/dbraw/zinc/28/75/31/298287531.db2.gz UYSZDWVCAKVUKL-KFWWJZLASA-N 2 0 281.444 1.755 10 0 CDAERP [NH3+][C@@H]1CC[C@@H](C(=O)N2CCC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000373039611 160167689 /nfs/dbraw/zinc/16/76/89/160167689.db2.gz JDLKLBASDKVAPB-KFWWJZLASA-N 2 0 279.428 1.591 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000097093278 298575877 /nfs/dbraw/zinc/57/58/77/298575877.db2.gz GUNGNXLROBHTFG-AGIUHOORSA-N 2 0 253.390 1.104 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001665570056 1173012287 /nfs/dbraw/zinc/01/22/87/1173012287.db2.gz RZHJRLTZPWNYEJ-CYBMUJFWSA-N 2 0 255.406 1.175 10 0 CDAERP C[C@H](C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O)c1cccc(Cl)c1 ZINC000263218828 165052981 /nfs/dbraw/zinc/05/29/81/165052981.db2.gz LMLZMUSNHMREBI-QKCSRTOESA-N 2 0 268.788 1.613 10 0 CDAERP CC[NH2+]CCC[NH2+]Cc1ccc(OC)c(OC)c1 ZINC000013734761 170584271 /nfs/dbraw/zinc/58/42/71/170584271.db2.gz YULFHASAVLUMJB-UHFFFAOYSA-N 2 0 252.358 1.793 10 0 CDAERP C[C@H](C(=O)NCCC1(C[NH3+])CC1)[C@H]([NH3+])c1ccccc1 ZINC000653215898 412142213 /nfs/dbraw/zinc/14/22/13/412142213.db2.gz HQBIJNXYTIKYLB-JSGCOSHPSA-N 2 0 275.396 1.568 10 0 CDAERP O=C(N1CC[C@H]2C[NH2+]C[C@H]2CC1)C1([NH2+]C2CC2)CCC1 ZINC000662784471 413492118 /nfs/dbraw/zinc/49/21/18/413492118.db2.gz QJBZZBABILCPFG-BETUJISGSA-N 2 0 277.412 1.119 10 0 CDAERP Cc1cc(C[NH+](C)C)cc(NC(=O)CC2([NH3+])CC2)c1 ZINC000662795177 413515933 /nfs/dbraw/zinc/51/59/33/413515933.db2.gz MNQCKJYHVRAPTA-UHFFFAOYSA-N 2 0 261.369 1.877 10 0 CDAERP CC[C@H]1C[N@H+](C)CCN1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654663126 413559175 /nfs/dbraw/zinc/55/91/75/413559175.db2.gz GTYFMWOVRWXIPH-MELADBBJSA-N 2 0 282.432 1.062 10 0 CDAERP COc1cc(C[NH3+])cc(OC)c1OCC[NH+](C)C ZINC000035662956 172341463 /nfs/dbraw/zinc/34/14/63/172341463.db2.gz JOJJPXYAOYYYHX-UHFFFAOYSA-N 2 0 254.330 1.103 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)NCC[NH+]2CCCC[C@H]2C)C1 ZINC000660395806 413786974 /nfs/dbraw/zinc/78/69/74/413786974.db2.gz MCJHJLDIYOSEPH-CABCVRRESA-N 2 0 296.459 1.644 10 0 CDAERP CN(CC1C[NH+](C)C1)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000661094360 413788377 /nfs/dbraw/zinc/78/83/77/413788377.db2.gz DPRGGRIGPKHGJN-CQSZACIVSA-N 2 0 296.459 1.310 10 0 CDAERP CCc1nn(C)cc1C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000656980619 413825637 /nfs/dbraw/zinc/82/56/37/413825637.db2.gz WGKVWVDZMYQNMK-UHFFFAOYSA-N 2 0 269.352 1.920 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000659460061 413847120 /nfs/dbraw/zinc/84/71/20/413847120.db2.gz KAENPONDHSZBJY-FRRDWIJNSA-N 2 0 270.421 1.142 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1)C[NH+]1CCCC1 ZINC000407371378 413946306 /nfs/dbraw/zinc/94/63/06/413946306.db2.gz MHVLZLKWBWQXTE-YUELXQCFSA-N 2 0 279.428 1.365 10 0 CDAERP Cc1nc(C[NH3+])ccc1[C@@H](C)NCC12CC(C1)C[NH2+]2 ZINC000665279914 414020461 /nfs/dbraw/zinc/02/04/61/414020461.db2.gz PHUIIMYBJOGAKN-CKQAKLJMSA-N 2 0 260.385 1.251 10 0 CDAERP CS(=O)(=O)CC1(CC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000665235201 413962266 /nfs/dbraw/zinc/96/22/66/413962266.db2.gz RNEUSCIDXALDKS-OLZOCXBDSA-N 2 0 288.457 1.308 10 0 CDAERP COC[C@H]([NH2+][C@H](C)CCCC[NH3+])C1CCOCC1 ZINC000665236937 413968218 /nfs/dbraw/zinc/96/82/18/413968218.db2.gz WTWINCRDYXJDRX-OCCSQVGLSA-N 2 0 258.406 1.535 10 0 CDAERP C[NH2+]CCC1CCN(C(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000659619962 414028998 /nfs/dbraw/zinc/02/89/98/414028998.db2.gz WWTJFLMFOAQQQX-CQSZACIVSA-N 2 0 284.448 1.391 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000659621707 414032676 /nfs/dbraw/zinc/03/26/76/414032676.db2.gz AQQRYDUBJVJXSZ-KGLIPLIRSA-N 2 0 284.448 1.341 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000659621649 414032971 /nfs/dbraw/zinc/03/29/71/414032971.db2.gz IALGTLLOGTZMIF-CYBMUJFWSA-N 2 0 284.448 1.486 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000659624468 414036648 /nfs/dbraw/zinc/03/66/48/414036648.db2.gz UQOOOPAJNOETEC-HUUCEWRRSA-N 2 0 298.475 1.876 10 0 CDAERP CO[C@@H]1CCCC[C@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000037229192 173049332 /nfs/dbraw/zinc/04/93/32/173049332.db2.gz LVOLIBFFQQDQKK-HUUCEWRRSA-N 2 0 269.433 1.171 10 0 CDAERP C[NH+]1CCN(CC[NH2+]Cc2ccc(Cl)s2)CC1 ZINC000037497513 173236636 /nfs/dbraw/zinc/23/66/36/173236636.db2.gz VTZOMSKHOJFRAE-UHFFFAOYSA-N 2 0 273.833 1.739 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)Cn1ccnc1 ZINC000657333881 414169625 /nfs/dbraw/zinc/16/96/25/414169625.db2.gz CUOMOYUVSDDLSD-AWEZNQCLSA-N 2 0 296.378 1.890 10 0 CDAERP O=C1C[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CN1C1CC1 ZINC000657386826 414269058 /nfs/dbraw/zinc/26/90/58/414269058.db2.gz HZOBLURACPEDHG-GFCCVEGCSA-N 2 0 297.362 1.120 10 0 CDAERP CCn1nc(C)c(C[NH2+]CC[C@@H]([NH3+])C(C)C)c1C ZINC000663498103 414296417 /nfs/dbraw/zinc/29/64/17/414296417.db2.gz LHCRWYDCFCENTG-CQSZACIVSA-N 2 0 252.406 1.983 10 0 CDAERP [NH3+]CCC[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000037713562 173632488 /nfs/dbraw/zinc/63/24/88/173632488.db2.gz LLDKKKYWHDAESP-UHFFFAOYSA-N 2 0 287.157 1.616 10 0 CDAERP CC(C)[C@H]([NH3+])CC[NH2+]C1CCN(C(=O)N(C)C)CC1 ZINC000663502382 414302717 /nfs/dbraw/zinc/30/27/17/414302717.db2.gz HMGYMQIEYFBBDO-CYBMUJFWSA-N 2 0 270.421 1.095 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC1CC[NH+](CC2CC2)CC1 ZINC000663504348 414305419 /nfs/dbraw/zinc/30/54/19/414305419.db2.gz ZZZMAGGKFYYKST-OAHLLOKOSA-N 2 0 253.434 1.824 10 0 CDAERP CN(CCC[NH+](C)C)CCNC(=O)NC(C1CC1)C1CC1 ZINC000663551531 414339359 /nfs/dbraw/zinc/33/93/59/414339359.db2.gz OGZDOLZNUUUXCV-UHFFFAOYSA-N 2 0 296.459 1.358 10 0 CDAERP c1cc(C[NH2+]CCN2CC=CCC2)n(-c2cc[nH+]cc2)n1 ZINC000657457535 414364961 /nfs/dbraw/zinc/36/49/61/414364961.db2.gz YHTWOLPGJHQCQQ-UHFFFAOYSA-N 2 0 283.379 1.619 10 0 CDAERP O[C@]12C[C@H]1C[NH+](CCCCC[N@@H+]1CC[C@@]3(O)C[C@H]3C1)CC2 ZINC000661722945 414323324 /nfs/dbraw/zinc/32/33/24/414323324.db2.gz PIGZRYKJRQUXCM-MWDXBVQZSA-N 2 0 294.439 1.070 10 0 CDAERP CC(C)NC(=O)[C@H]1CCC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000662119974 414521937 /nfs/dbraw/zinc/52/19/37/414521937.db2.gz AGNQZONUXKAQPM-LSDHHAIUSA-N 2 0 281.444 1.707 10 0 CDAERP Cc1ccc(C[N@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662249440 414585594 /nfs/dbraw/zinc/58/55/94/414585594.db2.gz NRGHVUCPXUZXPZ-OAHLLOKOSA-N 2 0 260.381 1.948 10 0 CDAERP CCCC[N@H+](C)CC1CC[NH+](C[C@H]2CNCCO2)CC1 ZINC000662260611 414595960 /nfs/dbraw/zinc/59/59/60/414595960.db2.gz NOMLGPUTRITETA-MRXNPFEDSA-N 2 0 283.460 1.419 10 0 CDAERP CC[NH+](CC)CCCC1CC[NH+](C[C@@H]2CNCCO2)CC1 ZINC000662278644 414609692 /nfs/dbraw/zinc/60/96/92/414609692.db2.gz JHHDBURNAWJNTF-KRWDZBQOSA-N 2 0 297.487 1.809 10 0 CDAERP C(CN1CCOCC1)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294732 414620622 /nfs/dbraw/zinc/62/06/22/414620622.db2.gz SGPGIYNAXUEUBE-QGZVFWFLSA-N 2 0 295.471 1.420 10 0 CDAERP COCCN(Cc1cccs1)C[C@H]1C[NH2+]CCO1 ZINC000662248619 414583405 /nfs/dbraw/zinc/58/34/05/414583405.db2.gz HTNOAPHXBDBFKD-GFCCVEGCSA-N 2 0 270.398 1.185 10 0 CDAERP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000038029489 174020705 /nfs/dbraw/zinc/02/07/05/174020705.db2.gz YKKNZHMLUMPWTL-YNEHKIRRSA-N 2 0 255.406 1.350 10 0 CDAERP C[N@H+](CC(=O)N1CC[NH2+]CC1)[C@H]1CCCC[C@@H]1C(C)(C)C ZINC000038031018 174022763 /nfs/dbraw/zinc/02/27/63/174022763.db2.gz HXVMRUQVQSDHFB-GJZGRUSLSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@@](C)(c2cccc(OC)c2)C1 ZINC000662310628 414631849 /nfs/dbraw/zinc/63/18/49/414631849.db2.gz LWHBABXBNDVHKQ-IAGOWNOFSA-N 2 0 292.423 1.629 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)CCO1 ZINC000662322876 414640896 /nfs/dbraw/zinc/64/08/96/414640896.db2.gz JCKIBTPDCVMXSU-BZUAXINKSA-N 2 0 284.444 1.844 10 0 CDAERP Cc1cc(C)c(C(N)=S)c(NCCC[NH+](C)C)[nH+]1 ZINC000040510111 174303848 /nfs/dbraw/zinc/30/38/48/174303848.db2.gz QBWAOXMMQCXFDX-UHFFFAOYSA-N 2 0 266.414 1.696 10 0 CDAERP C[C@@H]([NH3+])[C@@H](c1cccnc1)N1CCC([NH+](C)C)CC1 ZINC000043346795 175017405 /nfs/dbraw/zinc/01/74/05/175017405.db2.gz BKXISCAYNUBLPU-DOMZBBRYSA-N 2 0 262.401 1.496 10 0 CDAERP CC(C)CCNC(=O)[C@@H](C)[N@H+](CCC[NH3+])CC(C)C ZINC000043417372 175038380 /nfs/dbraw/zinc/03/83/80/175038380.db2.gz LKJFPOSITXNXHF-CQSZACIVSA-N 2 0 271.449 1.844 10 0 CDAERP CC[NH+]1CCN([C@H]2Cc3ccccc3[C@@H]2[NH2+]C)CC1 ZINC000043805787 175107541 /nfs/dbraw/zinc/10/75/41/175107541.db2.gz ZGGFTSVUWWEFHK-HOTGVXAUSA-N 2 0 259.397 1.509 10 0 CDAERP CCC[NH+]1CCN([C@@H]2C[C@@H](C)CC[C@@H]2[NH2+]C)CC1 ZINC000043805225 175107743 /nfs/dbraw/zinc/10/77/43/175107743.db2.gz OIRIMCBDNVXNMA-SOUVJXGZSA-N 2 0 253.434 1.791 10 0 CDAERP CC[C@H]([C@H]([NH2+]C)c1ccccc1)N1CC[NH+](C)CC1 ZINC000043810596 175109533 /nfs/dbraw/zinc/10/95/33/175109533.db2.gz TUVBSZLAEPVEDZ-HZPDHXFCSA-N 2 0 261.413 1.973 10 0 CDAERP CC[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccc(C)cc1 ZINC000043810684 175109696 /nfs/dbraw/zinc/10/96/96/175109696.db2.gz OKHXRJUJWMJBGN-INIZCTEOSA-N 2 0 261.413 1.893 10 0 CDAERP CC[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccc2c(c1)OCO2 ZINC000043810768 175110235 /nfs/dbraw/zinc/11/02/35/175110235.db2.gz KJRYBSWJTBNGAA-AWEZNQCLSA-N 2 0 291.395 1.313 10 0 CDAERP C[NH2+][C@H]1CCCCCC[C@@H]1N1CCC[N@H+](C)CC1 ZINC000043818079 175113203 /nfs/dbraw/zinc/11/32/03/175113203.db2.gz PMLSNVYIPBGHJD-GJZGRUSLSA-N 2 0 253.434 1.935 10 0 CDAERP C[NH2+][C@H]1CCCCCC[C@H]1N1CCC[N@H+](C)CC1 ZINC000043818082 175113411 /nfs/dbraw/zinc/11/34/11/175113411.db2.gz PMLSNVYIPBGHJD-LSDHHAIUSA-N 2 0 253.434 1.935 10 0 CDAERP C[NH2+][C@@H]1c2ccccc2C[C@@H]1N1CCC([NH+](C)C)CC1 ZINC000043897292 175120137 /nfs/dbraw/zinc/12/01/37/175120137.db2.gz JXJOPTVRCYIMAL-DLBZAZTESA-N 2 0 273.424 1.898 10 0 CDAERP CCN(CC)C(=O)[C@H](C)[NH2+]CC1CC[NH+](CC)CC1 ZINC000044518681 175190920 /nfs/dbraw/zinc/19/09/20/175190920.db2.gz ITXOBODGUQUCLF-ZDUSSCGKSA-N 2 0 269.433 1.565 10 0 CDAERP C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000044526629 175192254 /nfs/dbraw/zinc/19/22/54/175192254.db2.gz QQQXTQDFPCCLKG-ILXRZTDVSA-N 2 0 279.428 1.365 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)C1(C[NH3+])CCCCCC1 ZINC000044763705 175247912 /nfs/dbraw/zinc/24/79/12/175247912.db2.gz YGVAZCYJDJWWTN-CQSZACIVSA-N 2 0 283.460 1.988 10 0 CDAERP C[C@H](CNC(=O)C1(C[NH3+])CCCCC1)[NH+]1CCCCC1 ZINC000044995369 175287372 /nfs/dbraw/zinc/28/73/72/175287372.db2.gz UFCAZCIPWWCPNS-CQSZACIVSA-N 2 0 281.444 1.886 10 0 CDAERP C[NH2+][C@@](C)(CCC[NH+]1[C@@H](C)CCC[C@@H]1C)C(N)=O ZINC000045379709 175369169 /nfs/dbraw/zinc/36/91/69/175369169.db2.gz GIOBAALRJANQJR-OBJOEFQTSA-N 2 0 255.406 1.493 10 0 CDAERP CC(C)C[N@H+](C)CCC[C@](C)([NH2+]C(C)C)C(N)=O ZINC000045381045 175370102 /nfs/dbraw/zinc/37/01/02/175370102.db2.gz JGOOGDWNBQSRAE-AWEZNQCLSA-N 2 0 257.422 1.596 10 0 CDAERP CC[NH2+][C@@](C)(CCC[N@H+](CC)[C@@H](C)CC)C(N)=O ZINC000045385504 175371875 /nfs/dbraw/zinc/37/18/75/175371875.db2.gz GZJROWQEQDJKLO-JSGCOSHPSA-N 2 0 257.422 1.741 10 0 CDAERP CC[NH2+][C@@](C)(CCC[N@H+](C)C1CCCC1)C(N)=O ZINC000045384877 175372300 /nfs/dbraw/zinc/37/23/00/175372300.db2.gz VIMXNMYHQHCXKG-AWEZNQCLSA-N 2 0 255.406 1.495 10 0 CDAERP CC(C)[NH2+][C@H]1CCCN(CC[N@H+](C)C2CC2)C1=O ZINC000071031214 176022611 /nfs/dbraw/zinc/02/26/11/176022611.db2.gz FQWDGUPVJINWBZ-ZDUSSCGKSA-N 2 0 253.390 1.070 10 0 CDAERP CC(C)[NH2+][C@@H]1CCCN([C@H]2C[NH+]3CCC2CC3)C1=O ZINC000071032878 176023374 /nfs/dbraw/zinc/02/33/74/176023374.db2.gz ZIPLSAVVPDSTMJ-KGLIPLIRSA-N 2 0 265.401 1.070 10 0 CDAERP CC(C)[NH2+][C@H]1CCCN([C@H]2C[NH+]3CCC2CC3)C1=O ZINC000071032879 176023632 /nfs/dbraw/zinc/02/36/32/176023632.db2.gz ZIPLSAVVPDSTMJ-KBPBESRZSA-N 2 0 265.401 1.070 10 0 CDAERP C[NH2+][C@@H]1CCCN(CCC[N@H+](C)Cc2ccccc2)C1=O ZINC000071037931 176026449 /nfs/dbraw/zinc/02/64/49/176026449.db2.gz ILBLWWJUSBMVKA-MRXNPFEDSA-N 2 0 289.423 1.719 10 0 CDAERP CC[C@@H]1CCC[C@H]([N@@H+]2CCC[C@@H]2C(=O)N2CC[NH2+]CC2)C1 ZINC000071126313 176035972 /nfs/dbraw/zinc/03/59/72/176035972.db2.gz ODXLQICMUMLZQI-OWCLPIDISA-N 2 0 293.455 1.851 10 0 CDAERP CC[C@H](CC[NH3+])[N@@H+]1CCCN(c2cncc(OC)n2)CC1 ZINC000071175813 176054513 /nfs/dbraw/zinc/05/45/13/176054513.db2.gz KMJBPQPGNLPYRA-CYBMUJFWSA-N 2 0 293.415 1.125 10 0 CDAERP CN(C[C@H]1CC[N@H+](C)C1)C1(C[NH3+])CCSCC1 ZINC000071188438 176062528 /nfs/dbraw/zinc/06/25/28/176062528.db2.gz SRGKACUXHSMGOC-LBPRGKRZSA-N 2 0 257.447 1.094 10 0 CDAERP Cc1ccccc1[C@H](C[NH3+])N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188123 176062824 /nfs/dbraw/zinc/06/28/24/176062824.db2.gz MUHBAIXDKSCIFS-ZBFHGGJFSA-N 2 0 261.413 1.878 10 0 CDAERP CCC[NH2+][C@](C)(CCC[N@H+](C)C[C@@H]1CC[NH+](C)C1)C(=O)[O-] ZINC000071190897 176068918 /nfs/dbraw/zinc/06/89/18/176068918.db2.gz CRLFJVSUGZAZHR-GOEBONIOSA-N 2 0 299.459 1.493 10 0 CDAERP CCC[C@@](C)(C[NH2+]C)CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191418 176069523 /nfs/dbraw/zinc/06/95/23/176069523.db2.gz YCAURLCDJFUAKX-CABCVRRESA-N 2 0 255.450 1.896 10 0 CDAERP C[C@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071193282 176075330 /nfs/dbraw/zinc/07/53/30/176075330.db2.gz UOCZHELNFIJMPE-RFQIPJPRSA-N 2 0 267.417 1.160 10 0 CDAERP CC[NH+](CC)C[C@H](C)N1CCC[C@H]([NH2+]C2CC2)C1 ZINC000071200875 176077466 /nfs/dbraw/zinc/07/74/66/176077466.db2.gz JRNAGTXBRWGXJI-ZFWWWQNUSA-N 2 0 253.434 1.933 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000071378384 176142732 /nfs/dbraw/zinc/14/27/32/176142732.db2.gz CLCHHLNRKPERAB-LBPRGKRZSA-N 2 0 255.406 1.223 10 0 CDAERP C[N@H+](CCC[C@@H]([NH3+])c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000071401736 176153774 /nfs/dbraw/zinc/15/37/74/176153774.db2.gz LNPVQHGUEUNSME-HUUCEWRRSA-N 2 0 296.436 1.586 10 0 CDAERP CC[NH2+]CC[C@H]1C[NH2+]CCN1CCC1CCCC1 ZINC000078526402 177350032 /nfs/dbraw/zinc/35/00/32/177350032.db2.gz IRQPFJWUOONFIB-HNNXBMFYSA-N 2 0 253.434 1.840 10 0 CDAERP C[C@@H]1CC[NH2+]CC[C@@H]1NC1CC([NH+]2CCCCC2)C1 ZINC000335020908 287619140 /nfs/dbraw/zinc/61/91/40/287619140.db2.gz CUEUXGSBNPKKLW-LMPOIIKSSA-N 2 0 265.445 1.981 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)C[NH2+]CCF)CC[N@@H+]1C ZINC001666552319 1173150372 /nfs/dbraw/zinc/15/03/72/1173150372.db2.gz DUHOWMQZCYJXRY-RWMBFGLXSA-N 2 0 273.396 1.028 10 0 CDAERP CC(C)C(=O)N1CCC([NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000093214269 263283267 /nfs/dbraw/zinc/28/32/67/263283267.db2.gz QMENPIAMYNTRMG-OCCSQVGLSA-N 2 0 267.417 1.493 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001666903418 1173204802 /nfs/dbraw/zinc/20/48/02/1173204802.db2.gz SDCMCVKETXXUMW-HOCLYGCPSA-N 2 0 295.471 1.811 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001666976738 1173215045 /nfs/dbraw/zinc/21/50/45/1173215045.db2.gz KOXIFYLCFNDNPL-CHWSQXEVSA-N 2 0 287.423 1.513 10 0 CDAERP CN(C(=O)[C@@H]1C[C@]12CCC[NH2+]C2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000655450493 423879156 /nfs/dbraw/zinc/87/91/56/423879156.db2.gz QCOHXZTURKWMMW-KWIXYNLZSA-N 2 0 277.412 1.118 10 0 CDAERP CO[C@@H](C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)C1CCCC1 ZINC000662274668 423838286 /nfs/dbraw/zinc/83/82/86/423838286.db2.gz ZOGSBZROZLBKST-CVEARBPZSA-N 2 0 281.444 1.171 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652158429 423981384 /nfs/dbraw/zinc/98/13/84/423981384.db2.gz BGQPAGVZNGTBJB-UHFFFAOYSA-N 2 0 296.459 1.537 10 0 CDAERP CCN(C(=O)NC[C@@H](C)[NH+](C)C1CC1)[C@H]1CC[N@H+](CC)C1 ZINC000664000202 424095178 /nfs/dbraw/zinc/09/51/78/424095178.db2.gz WXTFLJIQDFCTGK-HIFRSBDPSA-N 2 0 296.459 1.595 10 0 CDAERP CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1ccccc1CC[NH3+] ZINC000653055091 424177168 /nfs/dbraw/zinc/17/71/68/424177168.db2.gz MGLAJLAKBODSKB-HNNXBMFYSA-N 2 0 277.412 1.633 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000662622134 424243119 /nfs/dbraw/zinc/24/31/19/424243119.db2.gz PHFIKGOXMBQOBW-WFASDCNBSA-N 2 0 267.417 1.508 10 0 CDAERP C[C@@H]1CCC[N@H+](CCN2CCCC2=O)[C@@H]1CC[NH3+] ZINC000652353878 424286204 /nfs/dbraw/zinc/28/62/04/424286204.db2.gz GFPVHIPEAMORQH-CHWSQXEVSA-N 2 0 253.390 1.058 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653116612 424298102 /nfs/dbraw/zinc/29/81/02/424298102.db2.gz MTWDKLCRGNORQL-LQKXBSAESA-N 2 0 293.455 1.896 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)C1 ZINC000653122863 424315987 /nfs/dbraw/zinc/31/59/87/424315987.db2.gz GEMOQEDFQOOJGG-BPUTZDHNSA-N 2 0 293.455 1.707 10 0 CDAERP Cc1cnn(CC[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1 ZINC000652363919 424317846 /nfs/dbraw/zinc/31/78/46/424317846.db2.gz RXLGCXYXFHEUKY-OAGGEKHMSA-N 2 0 292.427 1.552 10 0 CDAERP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662694939 424327620 /nfs/dbraw/zinc/32/76/20/424327620.db2.gz DYIQFXWZNAPLPP-ZIAGYGMSSA-N 2 0 293.455 1.898 10 0 CDAERP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000662702924 424345704 /nfs/dbraw/zinc/34/57/04/424345704.db2.gz DERJEQZBOLLRRQ-CABCVRRESA-N 2 0 293.386 1.469 10 0 CDAERP [NH3+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC000653141484 424362239 /nfs/dbraw/zinc/36/22/39/424362239.db2.gz RSWUQJDOOSQRTA-NZBPQXDJSA-N 2 0 279.428 1.398 10 0 CDAERP COCC[C@H](COC)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400999261 424420687 /nfs/dbraw/zinc/42/06/87/424420687.db2.gz LQWMPKXOQQLMIS-AAVRWANBSA-N 2 0 256.390 1.016 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000192672922 270297807 /nfs/dbraw/zinc/29/78/07/270297807.db2.gz XMLIBRNVZPDMDY-INIZCTEOSA-N 2 0 293.455 1.804 10 0 CDAERP CCC[C@H](C)C[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530242700 271179311 /nfs/dbraw/zinc/17/93/11/271179311.db2.gz OSKCHNODRPCHSS-AWEZNQCLSA-N 2 0 282.432 1.065 10 0 CDAERP COc1ccc(CC[NH2+][C@H](C)C[C@@H]2CCC[NH2+]2)cn1 ZINC000530243355 271179880 /nfs/dbraw/zinc/17/98/80/271179880.db2.gz HQHHQYPMEFRRCF-OCCSQVGLSA-N 2 0 263.385 1.753 10 0 CDAERP C1=C(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)COCC1 ZINC000530248616 271183376 /nfs/dbraw/zinc/18/33/76/271183376.db2.gz NHKQXPKRJQAXBY-MRXNPFEDSA-N 2 0 280.412 1.424 10 0 CDAERP CC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001667652804 1173306654 /nfs/dbraw/zinc/30/66/54/1173306654.db2.gz SRCPHXKYHZSDIL-ZIAGYGMSSA-N 2 0 269.433 1.517 10 0 CDAERP OC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)Cc2ccccc2C1 ZINC000372205433 275045032 /nfs/dbraw/zinc/04/50/32/275045032.db2.gz UMSOBZJQHRBDOA-DLBZAZTESA-N 2 0 286.419 1.733 10 0 CDAERP CC(C)C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000236771831 277385576 /nfs/dbraw/zinc/38/55/76/277385576.db2.gz XTEUEGIIIBZGFF-KGLIPLIRSA-N 2 0 281.444 1.741 10 0 CDAERP CC(C)C[NH+]1CCC(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000236772491 277385900 /nfs/dbraw/zinc/38/59/00/277385900.db2.gz XTEUEGIIIBZGFF-KBPBESRZSA-N 2 0 281.444 1.741 10 0 CDAERP COc1cccc(C[C@H](C)[NH2+][C@H]2CC[NH2+]C[C@@H]2C)n1 ZINC000414945489 278014222 /nfs/dbraw/zinc/01/42/22/278014222.db2.gz RRXMQVDFEBZVFT-OBJOEFQTSA-N 2 0 263.385 1.609 10 0 CDAERP CC1(C)CN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC[NH2+]1 ZINC000417825925 278314709 /nfs/dbraw/zinc/31/47/09/278314709.db2.gz CTOLUDWJYCVNRE-UPJWGTAASA-N 2 0 265.401 1.118 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000341063339 279129045 /nfs/dbraw/zinc/12/90/45/279129045.db2.gz XJGBDCRMHWUVBK-GJZGRUSLSA-N 2 0 294.443 1.372 10 0 CDAERP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CC[C@@H]([NH3+])C1)CC(C)C ZINC000236885373 279164148 /nfs/dbraw/zinc/16/41/48/279164148.db2.gz ACVKWCRTXWOICP-ZNMIVQPWSA-N 2 0 283.460 1.987 10 0 CDAERP CC(C)C[C@H]([NH3+])C[NH2+][C@@H](C)[C@H](C)N1CCOCC1 ZINC000415080928 279180499 /nfs/dbraw/zinc/18/04/99/279180499.db2.gz MJYXJOVJDXICIY-IHRRRGAJSA-N 2 0 257.422 1.059 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000417587050 279273038 /nfs/dbraw/zinc/27/30/38/279273038.db2.gz RRMDKOPQZMTCDA-MJBXVCDLSA-N 2 0 282.432 1.158 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000418195363 279374643 /nfs/dbraw/zinc/37/46/43/279374643.db2.gz FTMFXMAMJWBNRE-JSGCOSHPSA-N 2 0 282.432 1.251 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000418195097 279376178 /nfs/dbraw/zinc/37/61/78/279376178.db2.gz FMHFCXNSEKRVDP-HOCLYGCPSA-N 2 0 296.459 1.500 10 0 CDAERP CCN(CC[NH2+]CCCF)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001668464403 1173417230 /nfs/dbraw/zinc/41/72/30/1173417230.db2.gz OCKDFNRCGKZYCQ-HUUCEWRRSA-N 2 0 299.434 1.801 10 0 CDAERP C[C@@H](CNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1)[NH+]1CCCC1 ZINC000515840638 280912518 /nfs/dbraw/zinc/91/25/18/280912518.db2.gz UZVOUSXAONORHX-WFASDCNBSA-N 2 0 293.386 1.469 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000522138293 281087466 /nfs/dbraw/zinc/08/74/66/281087466.db2.gz ZPIVJEAMWXVGCD-MGPQQGTHSA-N 2 0 267.417 1.317 10 0 CDAERP Cc1cc(C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)ccn1 ZINC000527635294 281163990 /nfs/dbraw/zinc/16/39/90/281163990.db2.gz AQIWUNFCIASGHP-KRWDZBQOSA-N 2 0 290.455 1.752 10 0 CDAERP CC1(C)CN(C(=O)NC[C@]2(C)CCC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000334948310 281175408 /nfs/dbraw/zinc/17/54/08/281175408.db2.gz ZAYWHZMZAGWOEK-SWLSCSKDSA-N 2 0 282.432 1.145 10 0 CDAERP C[C@@H]1C[C@H](C)N(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)C[C@H]1C[NH3+] ZINC000422540757 288660033 /nfs/dbraw/zinc/66/00/33/288660033.db2.gz MOJUOHFGOWYUMK-IKOXMDCHSA-N 2 0 267.417 1.206 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000055087438 289066985 /nfs/dbraw/zinc/06/69/85/289066985.db2.gz RXTCIMUTTITSHO-VXGBXAGGSA-N 2 0 253.390 1.057 10 0 CDAERP C[C@@H](O)CC[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000152172943 289120173 /nfs/dbraw/zinc/12/01/73/289120173.db2.gz XSJVZLJCODUZRJ-LZWOXQAQSA-N 2 0 262.397 1.867 10 0 CDAERP CCC[C@@H](C(=O)N[C@@H](CC(C)C)C[NH+](C)C)[NH+](C)C ZINC000152910961 289150094 /nfs/dbraw/zinc/15/00/94/289150094.db2.gz VAAFSUYFPLZSMQ-KBPBESRZSA-N 2 0 271.449 1.809 10 0 CDAERP C[C@@]1(C[NH+]2CCC(N3CCCCC3=O)CC2)CC[NH2+]C1 ZINC000261976432 289163828 /nfs/dbraw/zinc/16/38/28/289163828.db2.gz ITOGUKBPDRKWGT-MRXNPFEDSA-N 2 0 279.428 1.463 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)C1([NH3+])CCOCC1)C1CCCCC1 ZINC000261897558 289351731 /nfs/dbraw/zinc/35/17/31/289351731.db2.gz RDTJINOJZRFRMQ-CQSZACIVSA-N 2 0 297.443 1.121 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1)C1CCCCC1 ZINC000237195780 289360374 /nfs/dbraw/zinc/36/03/74/289360374.db2.gz SDKGYTLTFWQCNU-RBSFLKMASA-N 2 0 281.444 1.741 10 0 CDAERP [NH3+]Cc1ccc(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000557193691 290334672 /nfs/dbraw/zinc/33/46/72/290334672.db2.gz OQVGKELZYPUVSQ-MQMHXKEQSA-N 2 0 275.396 1.640 10 0 CDAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1COCC1(C)C ZINC000423150324 293260797 /nfs/dbraw/zinc/26/07/97/293260797.db2.gz BOPZFAOQYCMNPT-BXUZGUMPSA-N 2 0 263.385 1.924 10 0 CDAERP CCC([NH3+])(CC)CNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000569220380 294176143 /nfs/dbraw/zinc/17/61/43/294176143.db2.gz FLCUQCIKDPVJDL-CYBMUJFWSA-N 2 0 269.433 1.885 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)CC[NH2+]1 ZINC000570398113 294231339 /nfs/dbraw/zinc/23/13/39/294231339.db2.gz GCWOMBFXUGBRSH-XQLPTFJDSA-N 2 0 279.428 1.317 10 0 CDAERP CO[C@H](C)[C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000347199965 294319101 /nfs/dbraw/zinc/31/91/01/294319101.db2.gz CKRTYUUVLNDJHS-MCIONIFRSA-N 2 0 287.448 1.092 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C3CCC3)C[C@@H](C)C2)C1 ZINC000570982164 294346377 /nfs/dbraw/zinc/34/63/77/294346377.db2.gz BIXKSHPRNVQICY-LSDHHAIUSA-N 2 0 293.455 1.661 10 0 CDAERP CNC(=O)c1cccc(CC[NH2+]C[C@]2(C)CC[NH2+]C2)c1 ZINC000572158341 294569369 /nfs/dbraw/zinc/56/93/69/294569369.db2.gz LYGKPXYMXRKGOO-INIZCTEOSA-N 2 0 275.396 1.178 10 0 CDAERP C[NH2+]C1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000574808287 295056695 /nfs/dbraw/zinc/05/66/95/295056695.db2.gz BWPNJFJUJIZMQW-UHFFFAOYSA-N 2 0 275.396 1.572 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000574861953 295065055 /nfs/dbraw/zinc/06/50/55/295065055.db2.gz OZNCIYNMICEKJN-BPLDGKMQSA-N 2 0 275.396 1.581 10 0 CDAERP Cc1cc(C)n2c(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cnc2n1 ZINC000575059962 295094123 /nfs/dbraw/zinc/09/41/23/295094123.db2.gz PVXFOHPBBJKPSF-UWVGGRQHSA-N 2 0 261.373 1.562 10 0 CDAERP [NH3+]CCN(CCc1ccccc1)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261890831 295232935 /nfs/dbraw/zinc/23/29/35/295232935.db2.gz VDVDTDPAYHBKGY-HZPDHXFCSA-N 2 0 289.423 1.391 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1CC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000261612847 295298327 /nfs/dbraw/zinc/29/83/27/295298327.db2.gz FGTNTOOJNDXHKC-GOEBONIOSA-N 2 0 293.455 1.981 10 0 CDAERP [NH3+][C@H]1CCC[C@@H]1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000164685624 295336754 /nfs/dbraw/zinc/33/67/54/295336754.db2.gz CTGPRLBZRURIFM-GJZGRUSLSA-N 2 0 279.428 1.637 10 0 CDAERP O=C(NCCC[C@H]1CCC[NH2+]1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000418758094 295644416 /nfs/dbraw/zinc/64/44/16/295644416.db2.gz ZUNYIDRVYJYVLQ-TZMCWYRMSA-N 2 0 280.416 1.055 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCC1([NH+](C)C)CCCC1 ZINC000416827051 297106291 /nfs/dbraw/zinc/10/62/91/297106291.db2.gz NGANNBPPRCTDCH-OLZOCXBDSA-N 2 0 282.432 1.158 10 0 CDAERP C[C@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)[NH+]1CCCCCC1 ZINC000173977894 298075981 /nfs/dbraw/zinc/07/59/81/298075981.db2.gz DVYIOGSOKMKALJ-ZIAGYGMSSA-N 2 0 267.417 1.413 10 0 CDAERP C[C@H](CC(=O)N1CC[C@@H]([NH+](C)C)C1)[C@H]1CCC[NH2+]C1 ZINC000251461394 298295014 /nfs/dbraw/zinc/29/50/14/298295014.db2.gz CSBCKMHDIDQFLG-HZSPNIEDSA-N 2 0 267.417 1.175 10 0 CDAERP C[C@]1(C(=O)N2CCC3(C2)CC[NH2+]CC3)CCCC[NH2+]1 ZINC000334914231 300746333 /nfs/dbraw/zinc/74/63/33/300746333.db2.gz YONPOMFCZGGLJR-CQSZACIVSA-N 2 0 265.401 1.121 10 0 CDAERP C[C@H](C[NH2+]CCOC1CCC1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001669328761 1173536648 /nfs/dbraw/zinc/53/66/48/1173536648.db2.gz NVUHYJYRIMGVOF-UKRRQHHQSA-N 2 0 297.443 1.134 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)C1 ZINC000563727848 316363202 /nfs/dbraw/zinc/36/32/02/316363202.db2.gz ZRBOSBSRVJFQPC-GOEBONIOSA-N 2 0 293.455 1.519 10 0 CDAERP CCCC[C@H](CCC)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000563806050 316373199 /nfs/dbraw/zinc/37/31/99/316373199.db2.gz NRNHZGXPYBJPDS-HOTGVXAUSA-N 2 0 285.476 1.543 10 0 CDAERP [NH3+]C[C@H](NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C1CCCCC1 ZINC000563946266 316402633 /nfs/dbraw/zinc/40/26/33/316402633.db2.gz QOVCVEVOBBUWIP-ZNMIVQPWSA-N 2 0 294.443 1.430 10 0 CDAERP C[C@@H]([NH2+]C1CC1)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000566621508 316644023 /nfs/dbraw/zinc/64/40/23/316644023.db2.gz AWBWVWATHUBFLP-ABAIWWIYSA-N 2 0 273.380 1.212 10 0 CDAERP CCC[NH2+]C[C@@H](CC(C)C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001698874257 1159152321 /nfs/dbraw/zinc/15/23/21/1159152321.db2.gz SUNBQCNRIBWQBV-LSDHHAIUSA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001725390908 1159238828 /nfs/dbraw/zinc/23/88/28/1159238828.db2.gz YRVYSLLGFNRWKY-RRFJBIMHSA-N 2 0 283.460 1.857 10 0 CDAERP CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCCC[NH+](C)C)C1 ZINC001731559769 1159304345 /nfs/dbraw/zinc/30/43/45/1159304345.db2.gz RMTJFMOJCDOAML-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001731592076 1159312064 /nfs/dbraw/zinc/31/20/64/1159312064.db2.gz KLXIXHAZOACBHQ-JSGCOSHPSA-N 2 0 267.417 1.079 10 0 CDAERP CC/C=C/CC[NH2+]CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001691458944 1159318762 /nfs/dbraw/zinc/31/87/62/1159318762.db2.gz MHMAMPPWBLWSMW-AATRIKPKSA-N 2 0 281.444 1.733 10 0 CDAERP CN(CC[NH2+]CC1CC1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001267389653 1159364968 /nfs/dbraw/zinc/36/49/68/1159364968.db2.gz AANNINLERYQSND-CABCVRRESA-N 2 0 279.428 1.461 10 0 CDAERP CCN(CC[NH2+]C[C@H](C)OC)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001268448791 1159938352 /nfs/dbraw/zinc/93/83/52/1159938352.db2.gz BKLVOTIKHQTIPU-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP COCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001268743648 1160012617 /nfs/dbraw/zinc/01/26/17/1160012617.db2.gz UPRMFXZOUGBACZ-KKUMJFAQSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)=CC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001269958586 1160080772 /nfs/dbraw/zinc/08/07/72/1160080772.db2.gz HIVWTDYZPNZKDJ-HUUCEWRRSA-N 2 0 281.444 1.873 10 0 CDAERP CC(C)[NH+]1CCC(N2CC[NH+](C[C@H](C)CO)CC2)CC1 ZINC000678046839 482402544 /nfs/dbraw/zinc/40/25/44/482402544.db2.gz SWFQRDSUOKBDGO-HNNXBMFYSA-N 2 0 283.460 1.105 10 0 CDAERP Cn1ccnc1[C@H](NC(=O)CC1([NH3+])CC1)c1ccccc1 ZINC000398180976 482246682 /nfs/dbraw/zinc/24/66/82/482246682.db2.gz NZSDMKZOAZKHMQ-CQSZACIVSA-N 2 0 284.363 1.507 10 0 CDAERP C[C@H](Cc1ccco1)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000668302388 482363504 /nfs/dbraw/zinc/36/35/04/482363504.db2.gz GCVOOPVPCOVQFE-CQSZACIVSA-N 2 0 295.427 1.410 10 0 CDAERP [NH3+][C@@H](CCC(=O)N[C@H]1C[NH2+]CCC1(F)F)c1ccccc1 ZINC000669520443 482559675 /nfs/dbraw/zinc/55/96/75/482559675.db2.gz PDXQKBBZFWJSJF-STQMWFEESA-N 2 0 297.349 1.580 10 0 CDAERP CN(C)C(=O)c1ccccc1C[NH2+][C@H]1CCCN(C)C1 ZINC000669528882 482594884 /nfs/dbraw/zinc/59/48/84/482594884.db2.gz PEAPWJJBFNCFKY-AWEZNQCLSA-N 2 0 275.396 1.572 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC/C=C/C[NH3+])C1 ZINC000669539387 482621958 /nfs/dbraw/zinc/62/19/58/482621958.db2.gz HIMQPZZEFMZZPL-RDFMZFSFSA-N 2 0 282.432 1.169 10 0 CDAERP C[C@H]([NH3+])CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000669545850 482643056 /nfs/dbraw/zinc/64/30/56/482643056.db2.gz GIXWKALQAGIASN-IACUBPJLSA-N 2 0 276.384 1.078 10 0 CDAERP O=C(NCC[NH2+]C1CC1)NC1CC([NH+]2CCCCC2)C1 ZINC000669575180 482779059 /nfs/dbraw/zinc/77/90/59/482779059.db2.gz PWIWEQMNOLYYPS-UHFFFAOYSA-N 2 0 280.416 1.055 10 0 CDAERP CO[C@@H]1CCC[C@H]([NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000684376199 482780408 /nfs/dbraw/zinc/78/04/08/482780408.db2.gz GHXBSLIXGIJBHP-QLFBSQMISA-N 2 0 297.443 1.121 10 0 CDAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261878380 482941901 /nfs/dbraw/zinc/94/19/01/482941901.db2.gz YRTJQIHIXSEAEQ-IGQOVBAYSA-N 2 0 265.401 1.199 10 0 CDAERP C[NH+](C)CCOc1ccc(CN[C@@H]2CCCC[NH2+]C2)cc1 ZINC000666992534 483039068 /nfs/dbraw/zinc/03/90/68/483039068.db2.gz XPSBZVBYHYRUDL-MRXNPFEDSA-N 2 0 291.439 1.859 10 0 CDAERP COc1cc(C)c(C[NH2+][C@H]2CC23CC[NH2+]CC3)c(C)n1 ZINC000666952385 483215338 /nfs/dbraw/zinc/21/53/38/483215338.db2.gz UUVQESXHAPIDOX-AWEZNQCLSA-N 2 0 275.396 1.939 10 0 CDAERP CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000675182466 483242978 /nfs/dbraw/zinc/24/29/78/483242978.db2.gz SKFGUBQRZLQMJX-KBPBESRZSA-N 2 0 282.432 1.254 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000136298222 483388373 /nfs/dbraw/zinc/38/83/73/483388373.db2.gz GDMXJBRGZAJAHM-INIZCTEOSA-N 2 0 291.439 1.998 10 0 CDAERP COC1(C[C@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)CCC1 ZINC000683228126 483450794 /nfs/dbraw/zinc/45/07/94/483450794.db2.gz VDRNDEHIPBVRFB-HNNXBMFYSA-N 2 0 297.487 1.950 10 0 CDAERP CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000676687313 483560584 /nfs/dbraw/zinc/56/05/84/483560584.db2.gz ULBJQYBTGHJDRW-CYBMUJFWSA-N 2 0 270.421 1.062 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000676726010 483577103 /nfs/dbraw/zinc/57/71/03/483577103.db2.gz WITCVYQZSXKKGZ-YMAMQOFZSA-N 2 0 296.459 1.500 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)C1CCC(C[NH3+])CC1 ZINC000055160876 519619368 /nfs/dbraw/zinc/61/93/68/519619368.db2.gz ZCHMNQLBPZMIGF-UHFFFAOYSA-N 2 0 255.406 1.208 10 0 CDAERP CC(C)C[NH+]1CCN(CC[NH2+]C[C@H]2CCCO2)CC1 ZINC000055076127 519726251 /nfs/dbraw/zinc/72/62/51/519726251.db2.gz QKDKOCUZKTWPDN-OAHLLOKOSA-N 2 0 269.433 1.029 10 0 CDAERP CC(C)C[NH+]1CCN(Cc2ccc(C[NH3+])cc2)CC1 ZINC000055077621 519726908 /nfs/dbraw/zinc/72/69/08/519726908.db2.gz LEOUSTFYXPQRIJ-UHFFFAOYSA-N 2 0 261.413 1.919 10 0 CDAERP CC(C)[C@@H](CNC(=O)C1(C)CC[NH2+]CC1)[NH+](C)C ZINC000062841127 519794219 /nfs/dbraw/zinc/79/42/19/519794219.db2.gz UJHFNAJKHSYZAJ-GFCCVEGCSA-N 2 0 255.406 1.079 10 0 CDAERP CCOCCC[NH2+]C[C@@H](C)N1CC[NH+]([C@H](C)CC)CC1 ZINC000055075255 519897048 /nfs/dbraw/zinc/89/70/48/519897048.db2.gz XZTFZFRRKNDXCL-HZPDHXFCSA-N 2 0 285.476 1.807 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000061298555 519904832 /nfs/dbraw/zinc/90/48/32/519904832.db2.gz ASRUTNWXHBAKRS-NSHDSACASA-N 2 0 283.441 1.855 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@H](C[N@H+](C)Cc2ccncc2)O1 ZINC000052481009 519978836 /nfs/dbraw/zinc/97/88/36/519978836.db2.gz RXWMXKRTBONIDG-HUUCEWRRSA-N 2 0 263.385 1.671 10 0 CDAERP CCC[NH2+][C@](C)(C[C@H](C)N(C)C1CC[NH+](C)CC1)C(N)=O ZINC000068621253 520112240 /nfs/dbraw/zinc/11/22/40/520112240.db2.gz OCBZIEUCSCMPRP-XJKSGUPXSA-N 2 0 298.475 1.035 10 0 CDAERP CCO[C@H](C[NH3+])CCN1CC[NH+](C2CCCC2)CC1 ZINC000062741255 520516656 /nfs/dbraw/zinc/51/66/56/520516656.db2.gz PEWZRBKTPYCCBD-HNNXBMFYSA-N 2 0 269.433 1.301 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC[C@@H](O)C[NH+](CC)CC ZINC000045704375 520719443 /nfs/dbraw/zinc/71/94/43/520719443.db2.gz YEFFJBPBADASHA-ZIAGYGMSSA-N 2 0 259.438 1.009 10 0 CDAERP CC[NH2+]CCN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001714739084 1179366513 /nfs/dbraw/zinc/36/65/13/1179366513.db2.gz GTSBOVMTRPVJOC-UHFFFAOYSA-N 2 0 269.433 1.566 10 0 CDAERP CCN(CC[NH2+]C/C=C/Cl)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001716248999 1180119430 /nfs/dbraw/zinc/11/94/30/1180119430.db2.gz PEELMTNEFSQWSR-BPJJOFIESA-N 2 0 287.835 1.519 10 0 CDAERP C[NH2+][C@H]1CCCC[C@@H]1CN(C)CC[NH+]1CCCC1 ZINC000063053727 522491331 /nfs/dbraw/zinc/49/13/31/522491331.db2.gz BLXQDGCEWKMJOT-CABCVRRESA-N 2 0 253.434 1.792 10 0 CDAERP CCCC[C@@H](C[NH2+]C(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001734098226 1183657604 /nfs/dbraw/zinc/65/76/04/1183657604.db2.gz WDHRUTYQAVZYBK-KGLIPLIRSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)(C)C1CC[NH+](CC2(O)CC[NH2+]CC2)CC1 ZINC000051016411 518606593 /nfs/dbraw/zinc/60/65/93/518606593.db2.gz ZDJBARKUVLENFD-UHFFFAOYSA-N 2 0 254.418 1.859 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)N[C@@H](C)CC[NH3+])CC1 ZINC000418523918 519085727 /nfs/dbraw/zinc/08/57/27/519085727.db2.gz KTBGOEZBGHPUSF-ZDUSSCGKSA-N 2 0 284.448 1.487 10 0 CDAERP CC(C)[NH+]1CCC(C[NH3+])(N2CCSC[C@H]2C)CC1 ZINC000070219532 519669614 /nfs/dbraw/zinc/66/96/14/519669614.db2.gz BKQGLPBRFDKMHM-CYBMUJFWSA-N 2 0 271.474 1.625 10 0 CDAERP CC(C)[NH2+]CC1(C[N@@H+]2CCC[C@H](CO)C2)CCOCC1 ZINC000052180489 519719589 /nfs/dbraw/zinc/71/95/89/519719589.db2.gz JIKYXOAJPSWSDC-HNNXBMFYSA-N 2 0 284.444 1.486 10 0 CDAERP CC(C)[NH2+]CCCCC[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061654967 519720428 /nfs/dbraw/zinc/72/04/28/519720428.db2.gz HMAIAVQQQNNMMZ-UHFFFAOYSA-N 3 0 284.492 1.334 10 0 CDAERP CC(C)[NH2+]C[C@H]1CC[C@@H](COCC[NH+]2CCCC2)O1 ZINC000052670471 519725798 /nfs/dbraw/zinc/72/57/98/519725798.db2.gz VYJQBPCGUWZSCH-CABCVRRESA-N 2 0 270.417 1.644 10 0 CDAERP CC(C)C[NH+]1CCN([C@H]2Cc3ccccc3[C@@H]2[NH3+])CC1 ZINC000055079022 519728658 /nfs/dbraw/zinc/72/86/58/519728658.db2.gz YWKGAKAWNHBBSK-IRXDYDNUSA-N 2 0 273.424 1.885 10 0 CDAERP CC(C)OCCC[NH2+]CCN1CCC[C@@H]1C[NH+](C)C ZINC000061655109 519764217 /nfs/dbraw/zinc/76/42/17/519764217.db2.gz VDWNQWACNYUASI-OAHLLOKOSA-N 2 0 271.449 1.417 10 0 CDAERP CC[NH2+]CC1(CN(C)C2CC[NH+](CC)CC2)CCOCC1 ZINC000052183211 519911876 /nfs/dbraw/zinc/91/18/76/519911876.db2.gz RNIRUTAUMATSIG-UHFFFAOYSA-N 2 0 297.487 1.809 10 0 CDAERP CC[NH2+]CC1(C[N@@H+]2CCC[C@@H](OCC)C2)CCOCC1 ZINC000052198124 519912436 /nfs/dbraw/zinc/91/24/36/519912436.db2.gz QXBTZSHFVHIDOE-OAHLLOKOSA-N 2 0 284.444 1.894 10 0 CDAERP CCC[NH2+]C[C@@H](C)N1CC[NH+](C2CCCC2)CC1 ZINC000052573449 519920436 /nfs/dbraw/zinc/92/04/36/519920436.db2.gz XSAOGHIVNHYAKC-CQSZACIVSA-N 2 0 253.434 1.935 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)NCCCC[N@H+](C)C(C)C ZINC000061268077 519934900 /nfs/dbraw/zinc/93/49/00/519934900.db2.gz OUHUGTGIRTVEQM-CYBMUJFWSA-N 2 0 257.422 1.469 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000061267138 519936604 /nfs/dbraw/zinc/93/66/04/519936604.db2.gz NVASXFAGFAVHTO-NEPJUHHUSA-N 2 0 283.441 1.713 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000061266924 519963420 /nfs/dbraw/zinc/96/34/20/519963420.db2.gz RJUQHVZWOYJSTC-STQMWFEESA-N 2 0 255.406 1.079 10 0 CDAERP CC[NH2+]Cc1cc(N2CCC[C@@H]2C[NH+](C)C)ccn1 ZINC000061654171 519993365 /nfs/dbraw/zinc/99/33/65/519993365.db2.gz PXBBGVRFCKADMP-OAHLLOKOSA-N 2 0 262.401 1.722 10 0 CDAERP CCC[NH2+][C@@](C)(C[C@H](C)[NH+]1CCC(COC)CC1)C(N)=O ZINC000068647736 520044327 /nfs/dbraw/zinc/04/43/27/520044327.db2.gz VLUCTXZUNADNMG-BBRMVZONSA-N 2 0 299.459 1.367 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000061273678 520065385 /nfs/dbraw/zinc/06/53/85/520065385.db2.gz NWUCYQGUYLONSR-RYUDHWBXSA-N 2 0 283.441 1.855 10 0 CDAERP CCC[NH2+][C@](C)(CCC[N@H+](CCOC)C1CC1)C(N)=O ZINC000045422904 520105120 /nfs/dbraw/zinc/10/51/20/520105120.db2.gz LNEZOBIGJZRZQK-OAHLLOKOSA-N 2 0 285.432 1.121 10 0 CDAERP CC[NH2+][C@@H]1CCCCC[C@@H]1N1CCN(CC[NH+](C)C)CC1 ZINC000061644020 520117487 /nfs/dbraw/zinc/11/74/87/520117487.db2.gz ZFDVTYMVAQJQEG-SJORKVTESA-N 2 0 296.503 1.476 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000061272937 520166224 /nfs/dbraw/zinc/16/62/24/520166224.db2.gz ZKTNEJIZMXZVIU-UONOGXRCSA-N 2 0 269.433 1.613 10 0 CDAERP CC[N@H+](C)[C@H](C(=O)N1CCC([NH2+]C)CC1)c1ccccc1 ZINC000236887116 520268819 /nfs/dbraw/zinc/26/88/19/520268819.db2.gz XWCPKGDNLIZPPI-INIZCTEOSA-N 2 0 289.423 1.890 10 0 CDAERP CCO[C@H](C[NH3+])CC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000062740762 520515584 /nfs/dbraw/zinc/51/55/84/520515584.db2.gz VKTJRAWRCASDFF-INIZCTEOSA-N 2 0 295.402 1.702 10 0 CDAERP CCCCNC(=O)C[N@H+](CCC[NH3+])C1CCCC1 ZINC000049280006 520613485 /nfs/dbraw/zinc/61/34/85/520613485.db2.gz UMQZWABSEUUICV-UHFFFAOYSA-N 2 0 255.406 1.496 10 0 CDAERP CC1CCC([N@H+](C)CCn2cc(C[NH3+])nn2)CC1 ZINC000052345408 520934381 /nfs/dbraw/zinc/93/43/81/520934381.db2.gz JJHYNQGNOVDPGZ-UHFFFAOYSA-N 2 0 251.378 1.247 10 0 CDAERP CCN(CC1CC1)C1(C[NH3+])CC[NH+](C(C)C)CC1 ZINC000069237354 520957396 /nfs/dbraw/zinc/95/73/96/520957396.db2.gz HSPPVXKHUXWMGD-UHFFFAOYSA-N 2 0 253.434 1.920 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)CC2CCC([NH3+])CC2)C1 ZINC000055136924 521617279 /nfs/dbraw/zinc/61/72/79/521617279.db2.gz VYMXHDMCGJVXGH-JXQTWKCFSA-N 2 0 267.417 1.495 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000052499888 521645016 /nfs/dbraw/zinc/64/50/16/521645016.db2.gz MFFLDVVOERKBCD-HNNXBMFYSA-N 2 0 296.459 1.643 10 0 CDAERP CCCN(CC[NH+](C)C)Cc1cc(C[NH2+]C)co1 ZINC000052544222 521656408 /nfs/dbraw/zinc/65/64/08/521656408.db2.gz LHHPOXXIYLWINF-UHFFFAOYSA-N 2 0 253.390 1.773 10 0 CDAERP C[NH+](C)CCN1CCN(CC[NH2+]Cc2cccs2)CC1 ZINC000061655391 521765553 /nfs/dbraw/zinc/76/55/53/521765553.db2.gz FKVNJRVKVISPCE-UHFFFAOYSA-N 2 0 296.484 1.017 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000156756500 521836077 /nfs/dbraw/zinc/83/60/77/521836077.db2.gz UHZTWMXLOLZXIM-HNNXBMFYSA-N 2 0 273.380 1.456 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000061644942 521862143 /nfs/dbraw/zinc/86/21/43/521862143.db2.gz WQEORTUXVIHIEO-UONOGXRCSA-N 2 0 267.417 1.319 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1CC(=O)Nc1ccc(C[NH3+])cc1 ZINC000061642613 521866942 /nfs/dbraw/zinc/86/69/42/521866942.db2.gz DTUBXBOHMBMEGA-OAHLLOKOSA-N 2 0 290.411 1.110 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000061613491 522113040 /nfs/dbraw/zinc/11/30/40/522113040.db2.gz WSJHQUCBVAVAOW-GDBMZVCRSA-N 2 0 289.423 1.672 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]([NH3+])CCSC)CC1 ZINC000055077685 522113429 /nfs/dbraw/zinc/11/34/29/522113429.db2.gz VBDFUEZTTNCJBH-NEPJUHHUSA-N 2 0 273.446 1.010 10 0 CDAERP CC[C@@H](C)[NH+]1CCN([C@@H](C)CC[NH2+]C2CC2)CC1 ZINC000055074864 522129077 /nfs/dbraw/zinc/12/90/77/522129077.db2.gz AWYBGKQVUREIRS-KGLIPLIRSA-N 2 0 253.434 1.933 10 0 CDAERP C[NH2+]Cc1coc(CN2CC[NH+](CC(C)C)CC2)c1 ZINC000055082896 522149023 /nfs/dbraw/zinc/14/90/23/522149023.db2.gz QTNOHOZNBFUGRB-UHFFFAOYSA-N 2 0 265.401 1.773 10 0 CDAERP C[NH2+]Cc1coc(CN(C)C2CC[NH+](C)CC2)c1 ZINC000052419871 522149739 /nfs/dbraw/zinc/14/97/39/522149739.db2.gz VTHHCINJMLHOIP-UHFFFAOYSA-N 2 0 251.374 1.525 10 0 CDAERP COC[C@H](C)[N@H+](C)C[C@@H]1CC[C@H](C[NH2+]C2CC2)O1 ZINC000052511896 522593094 /nfs/dbraw/zinc/59/30/94/522593094.db2.gz KUPHFWXFDJGBOC-YUTCNCBUSA-N 2 0 256.390 1.253 10 0 CDAERP COC1CC[NH+](C[C@H]2CC[C@H](C[NH2+]CC(C)C)O2)CC1 ZINC000052455447 522705852 /nfs/dbraw/zinc/70/58/52/522705852.db2.gz QXOWDIRXSZMRPJ-HZPDHXFCSA-N 2 0 284.444 1.890 10 0 CDAERP C[N@H+](CCC[NH+]1CCCC1)C[C@@H](O)CC(F)(F)F ZINC000337281740 522749860 /nfs/dbraw/zinc/74/98/60/522749860.db2.gz WPVPUSZRKNKNMP-NSHDSACASA-N 2 0 268.323 1.717 10 0 CDAERP C[N@H+](CCC[C@H]1CCC[NH2+]1)CC(=O)N1CCCC1 ZINC000052764437 522788149 /nfs/dbraw/zinc/78/81/49/522788149.db2.gz PMDBBCLJHZQACG-CYBMUJFWSA-N 2 0 253.390 1.073 10 0 CDAERP CC[C@H]1CCCC[N@@H+]1CCn1cc(C[NH2+]C)nn1 ZINC000052447617 523029553 /nfs/dbraw/zinc/02/95/53/523029553.db2.gz KTFLXTYOVIQSQK-ZDUSSCGKSA-N 2 0 251.378 1.262 10 0 CDAERP CC[C@@H]1CC[C@H]([NH2+]C)[C@H](N2CC[C@H]([NH+](C)C)C2)C1 ZINC000062965289 523369085 /nfs/dbraw/zinc/36/90/85/523369085.db2.gz SFNXWXLYMGHMLT-CBBWQLFWSA-N 2 0 253.434 1.789 10 0 CDAERP CC[C@@]1(C(=O)N(CC[NH+](C)C)CC(C)C)CC[NH2+]C1 ZINC000062896378 523689982 /nfs/dbraw/zinc/68/99/82/523689982.db2.gz KMAYKFZEPYNKCZ-OAHLLOKOSA-N 2 0 269.433 1.422 10 0 CDAERP COCC[N@H+](C[C@@H]1CC[C@@H](C[NH2+]C(C)C)O1)C1CC1 ZINC000052542520 523732406 /nfs/dbraw/zinc/73/24/06/523732406.db2.gz YRZRYZOMWPGRKI-GJZGRUSLSA-N 2 0 270.417 1.643 10 0 CDAERP C[NH+]1CCC(NC(=O)CC[C@H]2CCCC[NH2+]2)CC1 ZINC000050941729 523771642 /nfs/dbraw/zinc/77/16/42/523771642.db2.gz GSRNNVPVZNDORF-GFCCVEGCSA-N 2 0 253.390 1.119 10 0 CDAERP CC[C@H](C)[NH+]1CCN(CC2(C[NH3+])CCOCC2)CC1 ZINC000055072785 523952707 /nfs/dbraw/zinc/95/27/07/523952707.db2.gz GHVGBKQJTPLXEE-AWEZNQCLSA-N 2 0 269.433 1.158 10 0 CDAERP COCC[NH2+]Cc1ccccc1N(C)[C@H]1CCC[N@H+](C)C1 ZINC000062738202 523953951 /nfs/dbraw/zinc/95/39/51/523953951.db2.gz YXKSCOGJYIPDCT-INIZCTEOSA-N 2 0 291.439 1.953 10 0 CDAERP CC[C@H](C)[NH+]1CCN(Cc2cc(C[NH2+]C)no2)CC1 ZINC000055073716 523955860 /nfs/dbraw/zinc/95/58/60/523955860.db2.gz ACCDSULVLJYNCB-LBPRGKRZSA-N 2 0 266.389 1.310 10 0 CDAERP CC[C@H](C)[NH+]1CCN(Cc2occc2C[NH3+])CC1 ZINC000055073651 523956886 /nfs/dbraw/zinc/95/68/86/523956886.db2.gz CLYSXSLVFPJEPI-LBPRGKRZSA-N 2 0 251.374 1.654 10 0 CDAERP C[NH+](C)CC1CC[NH+](C[C@@H]2CC[C@H](C[NH2+]C3CC3)O2)CC1 ZINC000052515462 524049703 /nfs/dbraw/zinc/04/97/03/524049703.db2.gz ROXORSRSHCITCW-SJORKVTESA-N 3 0 295.471 1.560 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc[nH+]c(NN)c1 ZINC000051092089 524103879 /nfs/dbraw/zinc/10/38/79/524103879.db2.gz BFTLZHIWELTJCB-GFCCVEGCSA-N 2 0 291.399 1.362 10 0 CDAERP Cc1cccc(C[N@H+](C)CCN2CCC[NH2+]CC2)c1 ZINC000061275191 524376884 /nfs/dbraw/zinc/37/68/84/524376884.db2.gz KSYGMVPUFIUOEG-UHFFFAOYSA-N 2 0 261.413 1.722 10 0 CDAERP C[C@@H](CC[NH+](C)C)[NH2+]CCCOCC(F)(F)F ZINC000049557097 524474348 /nfs/dbraw/zinc/47/43/48/524474348.db2.gz FELUOBGIVHBCJB-JTQLQIEISA-N 2 0 256.312 1.885 10 0 CDAERP C[C@@H]1CC[C@@H](C)[C@@](C[NH3+])(N2CCN(CC[NH+](C)C)CC2)C1 ZINC000068629330 524580430 /nfs/dbraw/zinc/58/04/30/524580430.db2.gz PVBWPKUPRDZPPN-BRWVUGGUSA-N 2 0 296.503 1.319 10 0 CDAERP C[C@@H](C[NH+]1CCCC1)NC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055090485 524589045 /nfs/dbraw/zinc/58/90/45/524589045.db2.gz GTHGKPGUFYCGSO-XQQFMLRXSA-N 2 0 253.390 1.104 10 0 CDAERP C[C@@H]1CC[C@H](C)[C@H]([N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000068632487 524659156 /nfs/dbraw/zinc/65/91/56/524659156.db2.gz MKAPEQLIOLKFBQ-CBBWQLFWSA-N 2 0 281.444 1.598 10 0 CDAERP C[C@@H](C[NH2+]C1CCCCC1)N1CCN(CC[NH+](C)C)CC1 ZINC000061655272 524736020 /nfs/dbraw/zinc/73/60/20/524736020.db2.gz GPALLBDXLZNJBW-INIZCTEOSA-N 2 0 296.503 1.476 10 0 CDAERP C[C@H]([NH3+])[C@@H](c1ccncc1)N1CCC[C@@H]1C[NH+](C)C ZINC000061642241 524839414 /nfs/dbraw/zinc/83/94/14/524839414.db2.gz RDUZUUHHOCIBPE-CFVMTHIKSA-N 2 0 262.401 1.496 10 0 CDAERP C[C@H]1C[C@H]([NH3+])CC[C@@H]1C(=O)N1CCC([NH+](C)C)CC1 ZINC000055128248 524903968 /nfs/dbraw/zinc/90/39/68/524903968.db2.gz LVCCRJGXEIPNFX-SCRDCRAPSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@@H]1[C@@H](C)CCC[C@@]1(C[NH3+])N1CCN(CC[NH+](C)C)CC1 ZINC000068629363 525646252 /nfs/dbraw/zinc/64/62/52/525646252.db2.gz YNANAZPCHVFACP-BBWFWOEESA-N 2 0 296.503 1.319 10 0 CDAERP C[NH2+]C[C@H](C)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261549130 536460975 /nfs/dbraw/zinc/46/09/75/536460975.db2.gz OFQNULUWNFAJJA-HOCLYGCPSA-N 2 0 289.423 1.575 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@@H](C(=O)NCC[NH+]2CCCCC2)C1 ZINC000055162457 527213762 /nfs/dbraw/zinc/21/37/62/527213762.db2.gz QSLFFEHJTDCFBM-ZIAGYGMSSA-N 2 0 267.417 1.354 10 0 CDAERP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccccc2C(=O)N(C)C)C1 ZINC000417895022 527744282 /nfs/dbraw/zinc/74/42/82/527744282.db2.gz ZKULQBGPDQORRG-AWEZNQCLSA-N 2 0 289.423 1.820 10 0 CDAERP CC(C)C[C@H]([NH2+][C@H](C)[C@@H]1C[C@@H]1C)C(=O)NCC[NH+](C)C ZINC000414097877 535323231 /nfs/dbraw/zinc/32/32/31/535323231.db2.gz NWCIXSBOXYRYHD-YJNKXOJESA-N 2 0 283.460 1.713 10 0 CDAERP CC[NH+](CC)[C@@H](C)CNC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000121980439 535646521 /nfs/dbraw/zinc/64/65/21/535646521.db2.gz IUKJALSUXKCXQE-CABCVRRESA-N 2 0 298.475 1.890 10 0 CDAERP CC[C@@H](Cn1cncn1)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423431413 535777981 /nfs/dbraw/zinc/77/79/81/535777981.db2.gz VGKSGGBOGIYGNH-IHRRRGAJSA-N 2 0 265.405 1.411 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](OC)c1ccccc1 ZINC000422728784 536850320 /nfs/dbraw/zinc/85/03/20/536850320.db2.gz AQHWXSIUUBXEFW-LSDHHAIUSA-N 2 0 266.385 1.718 10 0 CDAERP C[C@@H]([NH2+]C/C=C\C[NH2+][C@@H](C)[C@@H]1CCCO1)[C@@H]1CCCO1 ZINC000348191434 538250549 /nfs/dbraw/zinc/25/05/49/538250549.db2.gz GHADRDBZKZXJQV-WBYXGSGPSA-N 2 0 282.428 1.857 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000073433782 538471733 /nfs/dbraw/zinc/47/17/33/538471733.db2.gz MWMASYOPVANRKQ-CQSZACIVSA-N 2 0 267.417 1.317 10 0 CDAERP Cc1nn(C)c2sc([C@@H]3[NH2+]CCC[C@@H]3C[NH3+])cc12 ZINC000757207112 574904808 /nfs/dbraw/zinc/90/48/08/574904808.db2.gz BARUIZOPRYEWPM-BXKDBHETSA-N 2 0 264.398 1.943 10 0 CDAERP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccoc1 ZINC000732229629 575084026 /nfs/dbraw/zinc/08/40/26/575084026.db2.gz QTUFYXXBHVXYKN-AWEZNQCLSA-N 2 0 252.358 1.606 10 0 CDAERP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000765000167 575973747 /nfs/dbraw/zinc/97/37/47/575973747.db2.gz IMSFDWSVADIEOT-IRXDYDNUSA-N 2 0 289.423 1.403 10 0 CDAERP CC1(C)CO[C@@H](C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000872143594 620694785 /nfs/dbraw/zinc/69/47/85/620694785.db2.gz UAGASULIQNDGCN-UKRRQHHQSA-N 2 0 252.402 1.877 10 0 CDAERP CON1CCC([NH2+]C2CC([NH+]3CCCCC3)C2)CC1 ZINC000926337717 617427380 /nfs/dbraw/zinc/42/73/80/617427380.db2.gz SIHYOWZJAATKMV-UHFFFAOYSA-N 2 0 267.417 1.619 10 0 CDAERP CC[N@H+](CCN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)C1CC1 ZINC000925556604 617506979 /nfs/dbraw/zinc/50/69/79/617506979.db2.gz KPWXXWLWAKMIPL-ILXRZTDVSA-N 2 0 265.445 1.837 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H]2CCc3n[nH]cc3C2)C1 ZINC000925583200 617531573 /nfs/dbraw/zinc/53/15/73/617531573.db2.gz KJNKKRAKXVISLG-FRRDWIJNSA-N 2 0 262.401 1.763 10 0 CDAERP CC(C)[C@H](O)C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925617232 617562430 /nfs/dbraw/zinc/56/24/30/617562430.db2.gz BVSWXIXVEXXCTF-RBSFLKMASA-N 2 0 254.418 1.761 10 0 CDAERP C[NH+](C)CCCC[NH2+]Cc1cnn(-c2ccccc2)n1 ZINC000045663840 617593835 /nfs/dbraw/zinc/59/38/35/617593835.db2.gz HVZCQUKXPVOPEM-UHFFFAOYSA-N 2 0 273.384 1.699 10 0 CDAERP CN1C[C@@H]2C[N@@H+]([C@@H]3C[C@@H]4CCCC[C@H]4NC3=O)C[C@]2(C)C1 ZINC000933733324 617599270 /nfs/dbraw/zinc/59/92/70/617599270.db2.gz IGKSKICZJKXOPF-GHYKFQNRSA-N 2 0 291.439 1.317 10 0 CDAERP CC1(C)[C@@H]([NH2+][C@H]2CCc3nc[nH]c3C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925668038 617622133 /nfs/dbraw/zinc/62/21/33/617622133.db2.gz FQOHLFIJNCEKDT-JLUCKKNBSA-N 2 0 274.412 1.633 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC[C@@H]1CCOC1=O ZINC000926830058 617639506 /nfs/dbraw/zinc/63/95/06/617639506.db2.gz KZDWVRRWUHJGBL-HABKJSAYSA-N 2 0 266.385 1.260 10 0 CDAERP CC(C)[NH2+]CCCN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925689524 617687056 /nfs/dbraw/zinc/68/70/56/617687056.db2.gz BCUWTRCEWRTDJV-HZSPNIEDSA-N 2 0 253.434 1.741 10 0 CDAERP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)C1CCOCC1 ZINC000925783412 617701767 /nfs/dbraw/zinc/70/17/67/617701767.db2.gz NWMJCGLYPLZQFH-CMPLNLGQSA-N 2 0 262.344 1.636 10 0 CDAERP CC1(C)[C@H]([NH2+][C@H]2CCC[C@@H](CO)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925695620 617717426 /nfs/dbraw/zinc/71/74/26/617717426.db2.gz XIBPFXQWOGBUJS-QKGCVVFFSA-N 2 0 266.429 1.904 10 0 CDAERP C[C@@H]1CC[C@H](C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)O1 ZINC000925696072 617726164 /nfs/dbraw/zinc/72/61/64/617726164.db2.gz SKPDNGHHRVPKRO-POQQGIQPSA-N 2 0 252.402 1.920 10 0 CDAERP Cc1cc([C@H](C)[NH2+]CCN2CCC([NH3+])CC2)no1 ZINC000925810215 617751989 /nfs/dbraw/zinc/75/19/89/617751989.db2.gz CSFPEKSPAKLZEE-NSHDSACASA-N 2 0 252.362 1.057 10 0 CDAERP CN1C[C@H](CC[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1=O ZINC000925812711 617756697 /nfs/dbraw/zinc/75/66/97/617756697.db2.gz NFMPRBSHULCGAL-AGIUHOORSA-N 2 0 267.417 1.350 10 0 CDAERP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000925832185 617853540 /nfs/dbraw/zinc/85/35/40/617853540.db2.gz QZZQNAAUOMQGKX-QKGCVVFFSA-N 2 0 250.386 1.555 10 0 CDAERP C[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccn1 ZINC000925854814 617892590 /nfs/dbraw/zinc/89/25/90/617892590.db2.gz SNEBFSLKGPVWJX-CHWSQXEVSA-N 2 0 289.379 1.418 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccn1 ZINC000925854832 617892638 /nfs/dbraw/zinc/89/26/38/617892638.db2.gz SNEBFSLKGPVWJX-STQMWFEESA-N 2 0 289.379 1.418 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCOc1cccnc1 ZINC000925065455 618850570 /nfs/dbraw/zinc/85/05/70/618850570.db2.gz UTEAGFJKPZBTFO-NNQSOWQGSA-N 2 0 261.369 1.390 10 0 CDAERP COC(=O)[C@@H]1[C@H](C[NH2+]CC[C@H]2CCC[N@H+](C)C2)C1(F)F ZINC000894986094 619185151 /nfs/dbraw/zinc/18/51/51/619185151.db2.gz RGBVTYIBAZXMCY-WOPDTQHZSA-N 2 0 290.354 1.362 10 0 CDAERP CC[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)OC ZINC000895127025 619322386 /nfs/dbraw/zinc/32/23/86/619322386.db2.gz DATSPJGTZQBISO-UPJWGTAASA-N 2 0 254.374 1.402 10 0 CDAERP C[C@@H]1CN(Cc2ccc(CO)o2)CCN1c1cc[nH+]cc1 ZINC000895558330 619726257 /nfs/dbraw/zinc/72/62/57/619726257.db2.gz WAUDUNUCXNKHKO-CYBMUJFWSA-N 2 0 287.363 1.878 10 0 CDAERP C[NH+](C)CCCC[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902780423 625370026 /nfs/dbraw/zinc/37/00/26/625370026.db2.gz IUMQWHPHCGVJHK-VQJWOFKYSA-N 2 0 252.402 1.731 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCOC[C@H]1C(C)C ZINC000925240358 620609050 /nfs/dbraw/zinc/60/90/50/620609050.db2.gz JBPDKSPCPQAZCL-PMPSAXMXSA-N 2 0 286.460 1.994 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)N(C)[C@@H]2CC[NH+](C)[C@H](C)C2)CC[N@@H+]1C ZINC000925322411 621533887 /nfs/dbraw/zinc/53/38/87/621533887.db2.gz FOCDMLWWLMMRLD-SYQHCUMBSA-N 2 0 282.432 1.203 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](C)[C@@H]2C)C[C@@H]1C ZINC000925323696 621537987 /nfs/dbraw/zinc/53/79/87/621537987.db2.gz AANUMNKYSZXYAS-LJISPDSOSA-N 2 0 296.459 1.593 10 0 CDAERP C(CC1CC[NH2+]CC1)CN1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866722992 621579276 /nfs/dbraw/zinc/57/92/76/621579276.db2.gz DRKBGLPGUHACOV-GJZGRUSLSA-N 2 0 251.418 1.593 10 0 CDAERP CC1CC[NH+](CC(=O)N2CC([NH+]3CCCC3)C2)CC1 ZINC000898610008 621818449 /nfs/dbraw/zinc/81/84/49/621818449.db2.gz RQKDIJAPXAQTFF-UHFFFAOYSA-N 2 0 265.401 1.025 10 0 CDAERP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC000898841122 621896046 /nfs/dbraw/zinc/89/60/46/621896046.db2.gz LIHPYVJERMSDBX-KGLIPLIRSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H]1CCC[C@](CNC(=O)C23CC[NH+](CC2)C3)([NH+](C)C)C1 ZINC000900321714 622890669 /nfs/dbraw/zinc/89/06/69/622890669.db2.gz XSEVABPSDGLISN-YOEHRIQHSA-N 2 0 293.455 1.709 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC000900524259 623156117 /nfs/dbraw/zinc/15/61/17/623156117.db2.gz XYWFJPWJEBJZQT-SOUVJXGZSA-N 2 0 281.444 1.850 10 0 CDAERP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC000901135690 623895294 /nfs/dbraw/zinc/89/52/94/623895294.db2.gz QICYUUKNMCPIFL-INMHGKMJSA-N 2 0 291.439 1.415 10 0 CDAERP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC000901136668 623896000 /nfs/dbraw/zinc/89/60/00/623896000.db2.gz ZNPVUZZRSSVSAZ-UONOGXRCSA-N 2 0 277.412 1.025 10 0 CDAERP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@]12C[C@H]1COC21CCC1 ZINC000902461765 624853088 /nfs/dbraw/zinc/85/30/88/624853088.db2.gz RKXRFOXLLSEKSH-LYYZXLFJSA-N 2 0 276.424 1.923 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C[NH+](C)C ZINC000902998469 625761167 /nfs/dbraw/zinc/76/11/67/625761167.db2.gz DKARIUUWURYGTL-YXJLRHLOSA-N 2 0 252.402 1.587 10 0 CDAERP C1CCC([NH+]2CCC([NH2+][C@@H]3CCO[C@]34CCOC4)CC2)C1 ZINC000903107425 625844188 /nfs/dbraw/zinc/84/41/88/625844188.db2.gz UFSHAEIOWQNKFC-SJORKVTESA-N 2 0 294.439 1.931 10 0 CDAERP C(CC[NH2+][C@H]1CCO[C@]12CCOC2)CC[NH+]1CCCC1 ZINC000903177051 625879676 /nfs/dbraw/zinc/87/96/76/625879676.db2.gz GYUBMYHHJWRIEF-HOTGVXAUSA-N 2 0 282.428 1.790 10 0 CDAERP c1[nH+]cn2cc(C[NH2+][C@H]3CCO[C@@]34CCOC4)ccc12 ZINC000903184428 625883511 /nfs/dbraw/zinc/88/35/11/625883511.db2.gz XROYWXCEHPCSKM-LSDHHAIUSA-N 2 0 273.336 1.372 10 0 CDAERP C[C@@H]1[C@H](N[C@@H]2CC[NH+](C)[C@H]3CCC[C@H]32)CC[N@@H+]1C ZINC000903300122 625959374 /nfs/dbraw/zinc/95/93/74/625959374.db2.gz GVNXXDOUTNUBPY-KHMAMNHCSA-N 2 0 251.418 1.541 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN(C(=O)c3ccsc3)CC2)C1 ZINC000903432572 625990257 /nfs/dbraw/zinc/99/02/57/625990257.db2.gz FHRMWOADMSYTFO-GXTWGEPZSA-N 2 0 293.436 1.633 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN(c3ccc(O)cc3)CC2)C1 ZINC000903440784 625992922 /nfs/dbraw/zinc/99/29/22/625992922.db2.gz COLIZRCTFRCQHQ-UONOGXRCSA-N 2 0 275.396 1.642 10 0 CDAERP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(S(N)(=O)=O)cc1 ZINC000903459203 625994979 /nfs/dbraw/zinc/99/49/79/625994979.db2.gz RTSWKQBWNNOIED-WZRBSPASSA-N 2 0 297.424 1.112 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000903459565 625995153 /nfs/dbraw/zinc/99/51/53/625995153.db2.gz LISVWWBNMVODPA-SHPPOPEUSA-N 2 0 277.387 1.408 10 0 CDAERP C[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@@H]1CCC[NH3+] ZINC000903463739 625996296 /nfs/dbraw/zinc/99/62/96/625996296.db2.gz KXQKLYKWZNHWSZ-APIJFGDWSA-N 3 0 253.434 1.953 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000903461866 625996520 /nfs/dbraw/zinc/99/65/20/625996520.db2.gz YXHBOZZKGYYBDH-QPSCCSFWSA-N 2 0 252.402 1.733 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000903463896 625996742 /nfs/dbraw/zinc/99/67/42/625996742.db2.gz RFERXZDMYCAECQ-OEAJRASXSA-N 2 0 276.428 1.576 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000903454303 626001461 /nfs/dbraw/zinc/00/14/61/626001461.db2.gz ABGIYGIWAOJPHM-RDBSUJKOSA-N 2 0 289.427 1.648 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000903455972 626002256 /nfs/dbraw/zinc/00/22/56/626002256.db2.gz ANTDTOROQCJBAC-WOPDTQHZSA-N 2 0 279.350 1.410 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000903482406 626006560 /nfs/dbraw/zinc/00/65/60/626006560.db2.gz GOSULFLEHSFXCF-ILXRZTDVSA-N 2 0 274.412 1.448 10 0 CDAERP CCCCOCC[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903492328 626011167 /nfs/dbraw/zinc/01/11/67/626011167.db2.gz MUZYPIHGUXWRHL-GUTXKFCHSA-N 2 0 284.400 1.015 10 0 CDAERP CCO[C@H](C)c1noc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)n1 ZINC000903496972 626011945 /nfs/dbraw/zinc/01/19/45/626011945.db2.gz LMHIMWLPBOCSEG-IJLUTSLNSA-N 2 0 282.388 1.584 10 0 CDAERP C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496279 626012150 /nfs/dbraw/zinc/01/21/50/626012150.db2.gz HVMPSLLSIYAAJD-QLFBSQMISA-N 2 0 281.444 1.550 10 0 CDAERP C(c1[nH]nc2c1COCC2)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000903748854 626071907 /nfs/dbraw/zinc/07/19/07/626071907.db2.gz BTTMTZPKWIIJQR-CYBMUJFWSA-N 2 0 290.411 1.304 10 0 CDAERP C([C@@H]1CC2(CO1)CC[NH2+]CC2)[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000903777994 626090785 /nfs/dbraw/zinc/09/07/85/626090785.db2.gz HYPBHDFYTYYWBH-ILXRZTDVSA-N 2 0 296.480 1.830 10 0 CDAERP C([C@@H]1CNCCO1)[N@@H+]1CCCSC[C@H]1C1CC1 ZINC000903826933 626105196 /nfs/dbraw/zinc/10/51/96/626105196.db2.gz OETGRVDGYOVCDY-STQMWFEESA-N 2 0 256.415 1.192 10 0 CDAERP CCOCCN1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903880329 626130713 /nfs/dbraw/zinc/13/07/13/626130713.db2.gz PGJLTLUJOJUPHU-MQVJKMGUSA-N 2 0 281.444 1.171 10 0 CDAERP CC[C@@H](C)C[N@H+](C)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903886454 626133537 /nfs/dbraw/zinc/13/35/37/626133537.db2.gz SSQQFDJLGNWQOU-OCCSQVGLSA-N 2 0 266.433 1.824 10 0 CDAERP CC(C)(CCS(C)(=O)=O)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903903073 626139845 /nfs/dbraw/zinc/13/98/45/626139845.db2.gz RKPOGNKPBCMHBE-YHWZYXNKSA-N 2 0 288.457 1.320 10 0 CDAERP CC[N@H+](CCC1CC1)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903911016 626144307 /nfs/dbraw/zinc/14/43/07/626144307.db2.gz UXHSBERWDBZIRZ-AWEZNQCLSA-N 2 0 277.416 1.825 10 0 CDAERP C(C[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C[C@@H]1CCC[NH2+]1 ZINC000903918540 626146161 /nfs/dbraw/zinc/14/61/61/626146161.db2.gz BAWWGBMHILDKDR-NUDNTCICSA-N 3 0 251.418 1.639 10 0 CDAERP C[C@@H]([NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1)C1CCOCC1 ZINC000903922375 626147792 /nfs/dbraw/zinc/14/77/92/626147792.db2.gz WKWNGAWRSHUBKK-TZMCWYRMSA-N 2 0 293.415 1.107 10 0 CDAERP [NH3+][C@H](CC(F)F)CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000903932349 626152052 /nfs/dbraw/zinc/15/20/52/626152052.db2.gz BMJPTOKKUJASPX-CHWSQXEVSA-N 2 0 275.387 1.681 10 0 CDAERP c1cc(CNCC23CC(C2)C[NH2+]3)c2c(c1)C[NH2+]CC2 ZINC000903933452 626152676 /nfs/dbraw/zinc/15/26/76/626152676.db2.gz RPLJCYOBATYPTL-UHFFFAOYSA-N 2 0 257.381 1.174 10 0 CDAERP COC[C@H]([NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)[C@H]1CCCOC1 ZINC000903960073 626159993 /nfs/dbraw/zinc/15/99/93/626159993.db2.gz WMXXBFFCSDWSAU-KBXIAJHMSA-N 2 0 270.417 1.406 10 0 CDAERP COC[C@H]([NH2+]CC1CC[NH2+]CC1)[C@H]1CCCOC1 ZINC000903959701 626160055 /nfs/dbraw/zinc/16/00/55/626160055.db2.gz MOUZFVCKNDUXDM-KBPBESRZSA-N 2 0 256.390 1.017 10 0 CDAERP COc1cc(C[NH2+]CCC(C)(C)[NH3+])cc2c1OCCO2 ZINC000903940959 626161425 /nfs/dbraw/zinc/16/14/25/626161425.db2.gz KASVGESTGYLMMX-UHFFFAOYSA-N 2 0 280.368 1.683 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1c(Cl)cnn1C ZINC000903978488 626170020 /nfs/dbraw/zinc/17/00/20/626170020.db2.gz HFEFPMGXAXLNKC-NXEZZACHSA-N 2 0 256.781 1.409 10 0 CDAERP COc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc(OC)c1O ZINC000903968033 626172170 /nfs/dbraw/zinc/17/21/70/626172170.db2.gz PWQVBPQWSCBJKF-PWSUYJOCSA-N 2 0 280.368 1.355 10 0 CDAERP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903968202 626172792 /nfs/dbraw/zinc/17/27/92/626172792.db2.gz RQWUMQRGIHWSIT-AGIUHOORSA-N 2 0 293.386 1.988 10 0 CDAERP CC(C)(/C=C\Cl)[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903987415 626174698 /nfs/dbraw/zinc/17/46/98/626174698.db2.gz GDFCSKYYSFJTCR-ISALQUGTSA-N 2 0 283.807 1.823 10 0 CDAERP C[C@@H](CNC(=[NH2+])NC[C@H]1CCCS1)[N@H+](C)C1CC1 ZINC000905040688 626380248 /nfs/dbraw/zinc/38/02/48/626380248.db2.gz BFGMYVZCJHSXSO-CMPLNLGQSA-N 2 0 270.446 1.479 10 0 CDAERP CN(Cc1nc(CC2CC[NH2+]CC2)no1)[C@H]1CCSC1 ZINC000905311486 626743153 /nfs/dbraw/zinc/74/31/53/626743153.db2.gz VPLVRWKRACWPCW-LBPRGKRZSA-N 2 0 296.440 1.549 10 0 CDAERP CC1(C)C[NH2+]C[C@@H]1c1nc(CC2CC[NH2+]CC2)no1 ZINC000905309189 626758076 /nfs/dbraw/zinc/75/80/76/626758076.db2.gz VKRZEKCSNLZWOL-LLVKDONJSA-N 2 0 264.373 1.325 10 0 CDAERP CCC1([NH+]2CCC2)CCN(C(=S)NCC[NH+](C)C)CC1 ZINC000905584207 626877617 /nfs/dbraw/zinc/87/76/17/626877617.db2.gz MLRVJVMECLOYNG-UHFFFAOYSA-N 2 0 298.500 1.373 10 0 CDAERP C[NH2+]Cc1ncc(-c2cccc(OCC[NH+](C)C)c2)cn1 ZINC000906159352 627129054 /nfs/dbraw/zinc/12/90/54/627129054.db2.gz JIGXPNZVOHBYFR-UHFFFAOYSA-N 2 0 286.379 1.803 10 0 CDAERP C[C@H](NC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)C1=CC[NH+](C)CC1 ZINC000907282794 627591635 /nfs/dbraw/zinc/59/16/35/627591635.db2.gz QQSYNZDPIXFGQE-IMJJTQAJSA-N 2 0 291.439 1.770 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC1CC([NH+](C)C)C1 ZINC000908010457 627971651 /nfs/dbraw/zinc/97/16/51/627971651.db2.gz ZEYVXZMGAJFDOT-MPEURRAXSA-N 2 0 253.390 1.068 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)C[NH+](C)C ZINC000908349083 628148788 /nfs/dbraw/zinc/14/87/88/628148788.db2.gz WCVRPMYNPRJVKI-HZSPNIEDSA-N 2 0 267.417 1.317 10 0 CDAERP C[NH+](C)C1(C(=O)N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)CCC1 ZINC000913278492 630421563 /nfs/dbraw/zinc/42/15/63/630421563.db2.gz HFNZWAJUSVOHQR-GASCZTMLSA-N 2 0 279.428 1.271 10 0 CDAERP CC1CC[NH+](CC(=O)N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)CC1 ZINC000913283790 630434720 /nfs/dbraw/zinc/43/47/20/630434720.db2.gz RFCXHYIYZACSPO-IRXDYDNUSA-N 2 0 293.455 1.519 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC000913334323 630446890 /nfs/dbraw/zinc/44/68/90/630446890.db2.gz LCSHCQVAGKMKCU-RDBSUJKOSA-N 2 0 265.401 1.214 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC000913334321 630447365 /nfs/dbraw/zinc/44/73/65/630447365.db2.gz LCSHCQVAGKMKCU-IHRRRGAJSA-N 2 0 265.401 1.214 10 0 CDAERP C[C@@H]1[C@H](NC(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)CC[N@@H+]1C ZINC000914218577 631266816 /nfs/dbraw/zinc/26/68/16/631266816.db2.gz DNPCTSNXIJKYLX-AAVRWANBSA-N 2 0 280.416 1.005 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CC[NH+]2C)[C@H](C)C1 ZINC000925407895 631400249 /nfs/dbraw/zinc/40/02/49/631400249.db2.gz HHGPRQYPOPYAHW-MCIONIFRSA-N 2 0 282.432 1.062 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=S)NC1CC[NH+](C)CC1 ZINC000920309786 632750851 /nfs/dbraw/zinc/75/08/51/632750851.db2.gz OPEOTLBEBGNPNV-ZDUSSCGKSA-N 2 0 298.500 1.419 10 0 CDAERP C[C@@H](C[NH2+]Cc1cc[nH]c(=O)c1)C[NH+]1CCCCC1 ZINC000921563700 633088887 /nfs/dbraw/zinc/08/88/87/633088887.db2.gz OPRYJDIAXXHEGD-ZDUSSCGKSA-N 2 0 263.385 1.999 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]CCC2CC2)C2CC2)C1 ZINC001670557676 1158645669 /nfs/dbraw/zinc/64/56/69/1158645669.db2.gz WAFAUDNJYNQAAX-CABCVRRESA-N 2 0 279.428 1.223 10 0 CDAERP CCCCCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001691171561 1158944110 /nfs/dbraw/zinc/94/41/10/1158944110.db2.gz WMBSGJCENWQNMG-CVEARBPZSA-N 2 0 295.471 1.957 10 0 CDAERP CC/C=C\CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001690356301 1175447205 /nfs/dbraw/zinc/44/72/05/1175447205.db2.gz CWOHBGUJKHAVHC-BKBHSOPASA-N 2 0 293.455 1.921 10 0 CDAERP CC[C@H](C[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)OC ZINC001266706237 1158773158 /nfs/dbraw/zinc/77/31/58/1158773158.db2.gz HYCHXJHANMPTDN-QLFBSQMISA-N 2 0 299.459 1.190 10 0 CDAERP C[C@@H](C[NH2+]CCCC1CCC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001699398709 1159621094 /nfs/dbraw/zinc/62/10/94/1159621094.db2.gz YDPDRWNBNQPISM-DZGCQCFKSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H](O)CCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000227587201 1159871949 /nfs/dbraw/zinc/87/19/49/1159871949.db2.gz GCJNKOCOEBAZKG-ZDUSSCGKSA-N 2 0 263.385 1.801 10 0 CDAERP CC[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001670832974 1160560134 /nfs/dbraw/zinc/56/01/34/1160560134.db2.gz MXKHZARHJFIWHJ-UHFFFAOYSA-N 2 0 253.390 1.119 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000252207447 1161135333 /nfs/dbraw/zinc/13/53/33/1161135333.db2.gz VKMBGMVITOJNAB-ILXRZTDVSA-N 2 0 281.444 1.885 10 0 CDAERP CC(C)CNC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923500550 1161545772 /nfs/dbraw/zinc/54/57/72/1161545772.db2.gz PMRRUOODWGMWRD-RWMBFGLXSA-N 2 0 255.406 1.064 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CCN(CCCS(C)(=O)=O)C1 ZINC000866706745 1164811196 /nfs/dbraw/zinc/81/11/96/1164811196.db2.gz QYAOQISWEDGYCZ-CYBMUJFWSA-N 2 0 276.446 1.118 10 0 CDAERP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@@]2(CCc3ccccc32)C1 ZINC000872146889 1165386279 /nfs/dbraw/zinc/38/62/79/1165386279.db2.gz ZPPALORGPBQALT-SJORKVTESA-N 2 0 274.408 1.547 10 0 CDAERP CC[NH+]1CCC(NC(=O)C[N@H+](C)CCCCCC[NH3+])CC1 ZINC000872155579 1165388811 /nfs/dbraw/zinc/38/88/11/1165388811.db2.gz RBRGHUWSDWRHEO-UHFFFAOYSA-N 3 0 298.475 1.038 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872288997 1165410980 /nfs/dbraw/zinc/41/09/80/1165410980.db2.gz VYEXWAXRBSAMHR-NDBYEHHHSA-N 2 0 253.390 1.008 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC001629095239 1166114873 /nfs/dbraw/zinc/11/48/73/1166114873.db2.gz CLXXOUFELXBQJP-CHWSQXEVSA-N 2 0 255.406 1.127 10 0 CDAERP CC[N@@H+]1CCN(C(=O)[C@H](C)CC[NH+](C)C)C[C@@H]1C ZINC001630692972 1166223947 /nfs/dbraw/zinc/22/39/47/1166223947.db2.gz KDADQFDHDLULQS-OLZOCXBDSA-N 2 0 255.406 1.127 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC[NH2+]C(C)(C)C)C1 ZINC001638371921 1166842781 /nfs/dbraw/zinc/84/27/81/1166842781.db2.gz LJLXSJVMTVEDTJ-QWHCGFSZSA-N 2 0 269.433 1.611 10 0 CDAERP CCCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001566813063 1168431994 /nfs/dbraw/zinc/43/19/94/1168431994.db2.gz OMRSHXBKJDOIJL-KKUMJFAQSA-N 2 0 281.444 1.755 10 0 CDAERP CCOCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001566853201 1168444822 /nfs/dbraw/zinc/44/48/22/1168444822.db2.gz WMILKPCLGAMURT-OKILXGFUSA-N 2 0 299.459 1.238 10 0 CDAERP [NH3+][C@H]1CCCC[C@@H]1C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC001647231961 1168474301 /nfs/dbraw/zinc/47/43/01/1168474301.db2.gz OGVCMRWLTOVWHD-KBPBESRZSA-N 2 0 273.380 1.788 10 0 CDAERP C[NH+](C)CCCCC(=O)NC[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001567417856 1168743737 /nfs/dbraw/zinc/74/37/37/1168743737.db2.gz GNSUBDDTCOUGQX-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP CCOCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001568140835 1169146936 /nfs/dbraw/zinc/14/69/36/1169146936.db2.gz JEGNPFDWTMZLIZ-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)=CC[NH2+]CC[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001568698212 1169435543 /nfs/dbraw/zinc/43/55/43/1169435543.db2.gz AUPNHPYYKQMCKU-CABCVRRESA-N 2 0 281.444 1.779 10 0 CDAERP CC[C@@H](C(=O)NC/C=C\C[NH2+]C/C=C/Cl)[NH+](C)C ZINC001568920305 1169548670 /nfs/dbraw/zinc/54/86/70/1169548670.db2.gz SGCNNVFGIPHTRD-BATCNRRESA-N 2 0 273.808 1.341 10 0 CDAERP CC[C@H]1C[N@H+](CC)CCN1C(=O)[C@@H](C)CC[NH+](C)C ZINC001569014950 1169596186 /nfs/dbraw/zinc/59/61/86/1169596186.db2.gz SXSVDDPJOHEROE-KBPBESRZSA-N 2 0 269.433 1.517 10 0 CDAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC[C@@H]1CC(=O)N(C)C1 ZINC001650036092 1169634804 /nfs/dbraw/zinc/63/48/04/1169634804.db2.gz FSKYQPQRWOXLSD-WCQYABFASA-N 2 0 290.411 1.368 10 0 CDAERP CC(C)CC[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001569266542 1169742338 /nfs/dbraw/zinc/74/23/38/1169742338.db2.gz AYASNTCUNGFBCI-CQSZACIVSA-N 2 0 269.433 1.422 10 0 CDAERP CCCC[NH2+][C@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CC1(C)C ZINC001571565893 1170478567 /nfs/dbraw/zinc/47/85/67/1170478567.db2.gz HUBLCFUSLVYADS-KGLIPLIRSA-N 2 0 283.460 1.953 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](CNC(=O)CCc2c[nH]cn2)C1 ZINC001656203687 1171791683 /nfs/dbraw/zinc/79/16/83/1171791683.db2.gz MWGSUNUSUSJDNK-MQMHXKEQSA-N 2 0 278.400 1.627 10 0 CDAERP C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[NH2+]CCF ZINC001656447960 1171825488 /nfs/dbraw/zinc/82/54/88/1171825488.db2.gz KYEPKEXEFWLUFT-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP CC[C@H](F)C[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001660081102 1172156686 /nfs/dbraw/zinc/15/66/86/1172156686.db2.gz LCTPYJQHZFUXAG-STQMWFEESA-N 2 0 273.396 1.267 10 0 CDAERP CCCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001661809492 1172449991 /nfs/dbraw/zinc/44/99/91/1172449991.db2.gz XYPJSNYSAUSURN-HUUCEWRRSA-N 2 0 281.444 1.709 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+]CC=C(C)C ZINC001662378138 1172538139 /nfs/dbraw/zinc/53/81/39/1172538139.db2.gz SVRKISTWKHHFHE-CYBMUJFWSA-N 2 0 255.406 1.389 10 0 CDAERP CCOCC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)C1CC1 ZINC001663749138 1172755803 /nfs/dbraw/zinc/75/58/03/1172755803.db2.gz KEKXGEUWGYWHCO-HNNXBMFYSA-N 2 0 297.443 1.088 10 0 CDAERP CC[N@@H+]1CC[C@@H]1C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001586547881 1172950541 /nfs/dbraw/zinc/95/05/41/1172950541.db2.gz WJAITWBBRHPEHW-UONOGXRCSA-N 2 0 265.401 1.025 10 0 CDAERP CO[C@@H](C)C[NH2+]CCC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001666239975 1173120346 /nfs/dbraw/zinc/12/03/46/1173120346.db2.gz FBEZVNXWKXJAFW-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP CCC(CC)C[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001668979110 1173487509 /nfs/dbraw/zinc/48/75/09/1173487509.db2.gz QGQGKWRAARBPGW-IDTUSYRASA-N 2 0 281.444 1.779 10 0 CDAERP CCCC[NH2+]C[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001669446503 1173551195 /nfs/dbraw/zinc/55/11/95/1173551195.db2.gz LHLPFXNKMLIFJY-CHWSQXEVSA-N 2 0 255.406 1.223 10 0 CDAERP CC(C)[NH2+][C@H]1C[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001690363220 1175450531 /nfs/dbraw/zinc/45/05/31/1175450531.db2.gz GEAVEVXSIYWJNK-BETUJISGSA-N 2 0 255.406 1.364 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]CCCF)CC[N@@H+]1C ZINC001690577937 1175511492 /nfs/dbraw/zinc/51/14/92/1175511492.db2.gz WPOXIYMYRWBOIT-RWMBFGLXSA-N 2 0 273.396 1.171 10 0 CDAERP CC[NH2+]CC[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001698685261 1175894909 /nfs/dbraw/zinc/89/49/09/1175894909.db2.gz PEDFOKFQRKLJRX-AWEZNQCLSA-N 2 0 267.417 1.320 10 0 CDAERP CC/C=C\CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001698858823 1175966046 /nfs/dbraw/zinc/96/60/46/1175966046.db2.gz FMVIYRUDCAFGNE-BEWKBBBFSA-N 2 0 281.444 1.731 10 0 CDAERP C[C@@H](CC[NH2+]CCC1CC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001699088191 1176081950 /nfs/dbraw/zinc/08/19/50/1176081950.db2.gz NOVLEQOFBBNLLM-GXTWGEPZSA-N 2 0 267.417 1.365 10 0 CDAERP CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001699128838 1176104916 /nfs/dbraw/zinc/10/49/16/1176104916.db2.gz WNCKVJUEUSFPKI-AVGNSLFASA-N 2 0 255.406 1.221 10 0 CDAERP CO[C@H](C)C[NH2+]CC[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001699155029 1176115159 /nfs/dbraw/zinc/11/51/59/1176115159.db2.gz SDVBHGSFFOEAGZ-HUUCEWRRSA-N 2 0 299.459 1.238 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001699369760 1176323669 /nfs/dbraw/zinc/32/36/69/1176323669.db2.gz UOAGCHSAJHZCPO-CQSZACIVSA-N 2 0 279.428 1.675 10 0 CDAERP CCCCC[NH2+]C[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001699380201 1176338785 /nfs/dbraw/zinc/33/87/85/1176338785.db2.gz CSSUIKCBVLNAQJ-UONOGXRCSA-N 2 0 269.433 1.613 10 0 CDAERP CC(C)=CC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001700289241 1176835203 /nfs/dbraw/zinc/83/52/03/1176835203.db2.gz DQMXFNRKXHBPNM-HNNXBMFYSA-N 2 0 293.455 1.875 10 0 CDAERP CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001700633195 1177044951 /nfs/dbraw/zinc/04/49/51/1177044951.db2.gz MQHNUMGRNBRYIM-JHJVBQTASA-N 2 0 255.406 1.221 10 0 CDAERP CC(C)CCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001700820420 1177149129 /nfs/dbraw/zinc/14/91/29/1177149129.db2.gz BTNHDQPOFABNRG-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP C[NH+](C)CCC(=O)NCCC[N@H+](C)C/C=C/Cl ZINC001707402481 1178023666 /nfs/dbraw/zinc/02/36/66/1178023666.db2.gz NEAAJKWKFBDUAV-QPJJXVBHSA-N 2 0 261.797 1.129 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001713168181 1178410029 /nfs/dbraw/zinc/41/00/29/1178410029.db2.gz ZUULQFSGHCLLBC-SHTZXODSSA-N 2 0 279.428 1.531 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001713238102 1178448100 /nfs/dbraw/zinc/44/81/00/1178448100.db2.gz CVPSZIMISJIKLV-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001713319898 1178494743 /nfs/dbraw/zinc/49/47/43/1178494743.db2.gz JOISFTCDLLKJQJ-KGLIPLIRSA-N 2 0 267.417 1.531 10 0 CDAERP CC[C@@H](C)C[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001713593548 1178674077 /nfs/dbraw/zinc/67/40/77/1178674077.db2.gz OZPPDCUNAHPHNF-QLFBSQMISA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)C[NH2+]CCN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001713600513 1178676380 /nfs/dbraw/zinc/67/63/80/1178676380.db2.gz XSUYHLGMEANZGY-UHFFFAOYSA-N 2 0 255.406 1.175 10 0 CDAERP CCCCC[NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001713881448 1178811820 /nfs/dbraw/zinc/81/18/20/1178811820.db2.gz DYEAYEFWHBAHGZ-HNNXBMFYSA-N 2 0 293.455 1.757 10 0 CDAERP CC[NH2+]C[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001714091106 1178967550 /nfs/dbraw/zinc/96/75/50/1178967550.db2.gz CONQMRKDTHYYLR-CQSZACIVSA-N 2 0 269.433 1.566 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CCC[C@@H](CC[NH2+]CCCF)C1 ZINC001714238009 1179039817 /nfs/dbraw/zinc/03/98/17/1179039817.db2.gz ABJJKEYWSMCYRH-HNNXBMFYSA-N 2 0 299.434 1.660 10 0 CDAERP COCC[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001714308633 1179079787 /nfs/dbraw/zinc/07/97/87/1179079787.db2.gz GQISZFYPEKYXNH-GJZGRUSLSA-N 2 0 299.459 1.238 10 0 CDAERP CC(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001714343833 1179096854 /nfs/dbraw/zinc/09/68/54/1179096854.db2.gz XLJDBAHRYWNGCE-GJZGRUSLSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CCC[C@H](C)O)[NH+](C)C ZINC001714348819 1179098973 /nfs/dbraw/zinc/09/89/73/1179098973.db2.gz YQMOHIMGVMRNIA-ZNMIVQPWSA-N 2 0 299.459 1.068 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001714469811 1179156698 /nfs/dbraw/zinc/15/66/98/1179156698.db2.gz TXBZSJNUHCQYBO-RBSFLKMASA-N 2 0 281.444 1.777 10 0 CDAERP C[C@H](C[NH2+]CC1CC1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001714824188 1179412118 /nfs/dbraw/zinc/41/21/18/1179412118.db2.gz YRWJFLQGHARIRP-TZMCWYRMSA-N 2 0 267.417 1.175 10 0 CDAERP C[C@](C[NH2+]CCF)(NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001715110719 1179555887 /nfs/dbraw/zinc/55/58/87/1179555887.db2.gz MZPDOAKLRNZNEB-GOEBONIOSA-N 2 0 297.418 1.172 10 0 CDAERP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CCCF ZINC001715233421 1179589424 /nfs/dbraw/zinc/58/94/24/1179589424.db2.gz ZYGDFHNUQSJQNE-KBPBESRZSA-N 2 0 287.423 1.561 10 0 CDAERP CC[NH2+]C[C@H](C)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001715337694 1179632669 /nfs/dbraw/zinc/63/26/69/1179632669.db2.gz JXDAIIYUZUJHEA-QWHCGFSZSA-N 2 0 255.406 1.317 10 0 CDAERP CCOCC[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001715519492 1179696358 /nfs/dbraw/zinc/69/63/58/1179696358.db2.gz DUBDOYZQIKUVBK-LSDHHAIUSA-N 2 0 299.459 1.143 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH+](C)CC1CC1 ZINC001715538658 1179708384 /nfs/dbraw/zinc/70/83/84/1179708384.db2.gz ARYFBIQBICUZPH-UHFFFAOYSA-N 2 0 255.406 1.127 10 0 CDAERP CC(C)[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001715646002 1179751080 /nfs/dbraw/zinc/75/10/80/1179751080.db2.gz KFBBPQIYVVLWFC-JHJVBQTASA-N 2 0 255.406 1.219 10 0 CDAERP CCC[NH2+]CCN(CC)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001715741330 1179785823 /nfs/dbraw/zinc/78/58/23/1179785823.db2.gz BMSBSYHAIUFLPS-HUUCEWRRSA-N 2 0 281.444 1.851 10 0 CDAERP CCOCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001716041241 1180014177 /nfs/dbraw/zinc/01/41/77/1180014177.db2.gz YEQDMEBNECTOTR-ILXRZTDVSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)CCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CN(C)CCO1 ZINC001716128875 1180061003 /nfs/dbraw/zinc/06/10/03/1180061003.db2.gz RKCWGFZESDYIMX-GJZGRUSLSA-N 2 0 299.459 1.238 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC/C=C\C[NH2+]CC1CC1 ZINC001716304205 1180148192 /nfs/dbraw/zinc/14/81/92/1180148192.db2.gz BCDYTLLXYFPJTF-GWQWAINWSA-N 2 0 279.428 1.533 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@@H]1CCCC[C@H]1C[NH2+]CCCF ZINC001716519638 1180264306 /nfs/dbraw/zinc/26/43/06/1180264306.db2.gz FHGVKEORYWASQM-LSDHHAIUSA-N 2 0 299.434 1.706 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH2+]C[C@@H]1CC[C@@H](C)O1 ZINC001716587299 1180295352 /nfs/dbraw/zinc/29/53/52/1180295352.db2.gz XLKAGAKFDNXBDI-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]CCCF ZINC001716587397 1180296087 /nfs/dbraw/zinc/29/60/87/1180296087.db2.gz ZUSUJGUQKWUJJW-CQSZACIVSA-N 2 0 287.423 1.659 10 0 CDAERP CCC[N@@H+]1CC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001716653104 1180339349 /nfs/dbraw/zinc/33/93/49/1180339349.db2.gz AXIGDQYNNWGNKV-KGLIPLIRSA-N 2 0 267.417 1.461 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@@H+]1CC1=CCCCC1 ZINC001716671662 1180354714 /nfs/dbraw/zinc/35/47/14/1180354714.db2.gz OPHBDEFTDVKZRF-MRXNPFEDSA-N 2 0 291.439 1.773 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)C1C[NH+](CC2CCC2)C1 ZINC001716750432 1180400003 /nfs/dbraw/zinc/40/00/03/1180400003.db2.gz BZCIRILVIUQKJE-UHFFFAOYSA-N 2 0 267.417 1.271 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]CCCF)C1 ZINC001716974596 1180487217 /nfs/dbraw/zinc/48/72/17/1180487217.db2.gz CMZJYSFNTCJAOY-UONOGXRCSA-N 2 0 287.423 1.513 10 0 CDAERP COCC[NH2+]C1(CNC(=O)CC[NH+]2CCCCC2)CCC1 ZINC001717163053 1180556427 /nfs/dbraw/zinc/55/64/27/1180556427.db2.gz RHRQITUFTLWCGB-UHFFFAOYSA-N 2 0 297.443 1.137 10 0 CDAERP CCC[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001717384243 1180641006 /nfs/dbraw/zinc/64/10/06/1180641006.db2.gz DATOHJYOKKDOAJ-NRXISQOPSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)[NH2+][C@@H](C)[C@H](C)NC(=O)CCc1c[nH]cn1 ZINC001717412997 1180659906 /nfs/dbraw/zinc/65/99/06/1180659906.db2.gz NMKUEMJBRQBENV-QWRGUYRKSA-N 2 0 252.362 1.234 10 0 CDAERP C[C@@H](F)CC[N@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001717486918 1180702206 /nfs/dbraw/zinc/70/22/06/1180702206.db2.gz MHVAIKLIYSJVKP-VXGBXAGGSA-N 2 0 261.385 1.123 10 0 CDAERP C[C@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CCCF ZINC001717751648 1180828843 /nfs/dbraw/zinc/82/88/43/1180828843.db2.gz YTNVDVHPNOTHDG-OLZOCXBDSA-N 2 0 273.396 1.124 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001722951160 1181498815 /nfs/dbraw/zinc/49/88/15/1181498815.db2.gz BDKNWDKOZXWECL-LSDHHAIUSA-N 2 0 293.455 1.757 10 0 CDAERP CCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001722951159 1181499003 /nfs/dbraw/zinc/49/90/03/1181499003.db2.gz BDKNWDKOZXWECL-HUUCEWRRSA-N 2 0 293.455 1.757 10 0 CDAERP CN(CCC[NH2+]Cc1cscn1)C(=O)CC[NH+](C)C ZINC001723112403 1181519493 /nfs/dbraw/zinc/51/94/93/1181519493.db2.gz XOQUHOIMHVKMHX-UHFFFAOYSA-N 2 0 284.429 1.033 10 0 CDAERP CCC[NH2+]CC1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001725073395 1181845236 /nfs/dbraw/zinc/84/52/36/1181845236.db2.gz IMGGELNVKTZJHY-HSBZDZAISA-N 2 0 267.417 1.223 10 0 CDAERP C[C@@H]([NH2+]CCCF)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001725087718 1181852702 /nfs/dbraw/zinc/85/27/02/1181852702.db2.gz HXCHBMDKJYEAQM-NEPJUHHUSA-N 2 0 273.396 1.313 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CC1CCC1 ZINC001725125100 1181873556 /nfs/dbraw/zinc/87/35/56/1181873556.db2.gz PYDROIKWGPNNES-QWHCGFSZSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@H](CCC[NH2+]C[C@H](C)O)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001725399294 1181988768 /nfs/dbraw/zinc/98/87/68/1181988768.db2.gz QNGSLHAHTLZKQL-KGLIPLIRSA-N 2 0 299.459 1.116 10 0 CDAERP CCCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C ZINC001725607088 1182069717 /nfs/dbraw/zinc/06/97/17/1182069717.db2.gz OYQUKPUARGYXBL-UONOGXRCSA-N 2 0 267.417 1.461 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001725651730 1182087518 /nfs/dbraw/zinc/08/75/18/1182087518.db2.gz GGOVIXGAVNFKIJ-GJZGRUSLSA-N 2 0 283.460 1.859 10 0 CDAERP CCCC[N@H+](CC)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001731315275 1182313292 /nfs/dbraw/zinc/31/32/92/1182313292.db2.gz HGCMDYCMIZRUBG-UHFFFAOYSA-N 2 0 283.460 1.957 10 0 CDAERP CCCCC[NH2+]C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001731524458 1182434126 /nfs/dbraw/zinc/43/41/26/1182434126.db2.gz KLILCDXVIHFZPE-HNNXBMFYSA-N 2 0 283.460 1.957 10 0 CDAERP CCCCC[NH2+][C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001731592822 1182468302 /nfs/dbraw/zinc/46/83/02/1182468302.db2.gz YVZUVVAFNNWUNR-ZFWWWQNUSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CCOC1CCC1 ZINC001731599049 1182472072 /nfs/dbraw/zinc/47/20/72/1182472072.db2.gz XPUOWHZHTKOKLK-ZDUSSCGKSA-N 2 0 297.443 1.134 10 0 CDAERP CN(CC[NH2+]C/C=C/Cl)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001731910418 1182674780 /nfs/dbraw/zinc/67/47/80/1182674780.db2.gz HWJKHWVOYGNEJL-ADQTWTKMSA-N 2 0 285.819 1.129 10 0 CDAERP CC[N@@H+]1CC[C@@H](CCNC(=O)CCCC[NH+](C)C)C1 ZINC001732059027 1182745406 /nfs/dbraw/zinc/74/54/06/1182745406.db2.gz LDPNPXCRWOCBLE-CQSZACIVSA-N 2 0 269.433 1.566 10 0 CDAERP CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001732425379 1182959710 /nfs/dbraw/zinc/95/97/10/1182959710.db2.gz FJCTZCFKEZLBMI-QWHCGFSZSA-N 2 0 255.406 1.317 10 0 CDAERP CC(C)C[C@@H](C[NH2+]CCF)NC(=O)Cc1ncc[nH]1 ZINC001732469884 1182981136 /nfs/dbraw/zinc/98/11/36/1182981136.db2.gz OPMSDDUDIPWACC-NSHDSACASA-N 2 0 270.352 1.042 10 0 CDAERP CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001732626726 1183054761 /nfs/dbraw/zinc/05/47/61/1183054761.db2.gz KLILLGOYMDCVRZ-QWHCGFSZSA-N 2 0 255.406 1.221 10 0 CDAERP C[C@@H](CC[NH2+]CC1CC1)NC(=O)CC[NH+]1CCCCC1 ZINC001732753240 1183108039 /nfs/dbraw/zinc/10/80/39/1183108039.db2.gz CXNXSJSAYLUOKI-AWEZNQCLSA-N 2 0 281.444 1.757 10 0 CDAERP CCN(CC[NH2+]CCCC(C)C)C(=O)C12CC[NH+](CC1)C2 ZINC001732807492 1183131456 /nfs/dbraw/zinc/13/14/56/1183131456.db2.gz QTQLXXNRHLRYFE-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@H](F)CC[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001733101386 1183291176 /nfs/dbraw/zinc/29/11/76/1183291176.db2.gz KZBUVJFEBTXFCQ-BFHYXJOUSA-N 2 0 287.423 1.513 10 0 CDAERP CN(CCC[NH2+]CCF)C(=O)C12CCC[NH+](CCC1)C2 ZINC001733107511 1183293863 /nfs/dbraw/zinc/29/38/63/1183293863.db2.gz QCVHFLIMPUAKPM-UHFFFAOYSA-N 2 0 285.407 1.270 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001733212297 1183340796 /nfs/dbraw/zinc/34/07/96/1183340796.db2.gz WEVBQQGWRDKGMM-NTBLUZEKSA-N 2 0 293.455 1.873 10 0 CDAERP CCCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001733351174 1183406827 /nfs/dbraw/zinc/40/68/27/1183406827.db2.gz BFKXUAACZUJGEC-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CC[C@@](C)(C[NH2+]CCCF)C2)CC[N@@H+]1C ZINC001733423984 1183428946 /nfs/dbraw/zinc/42/89/46/1183428946.db2.gz ASXRLXCSMHBBNI-FMKPAKJESA-N 2 0 299.434 1.514 10 0 CDAERP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C[NH2+]CCF ZINC001733555501 1183465660 /nfs/dbraw/zinc/46/56/60/1183465660.db2.gz CTMAPONPNKEZRU-CABCVRRESA-N 2 0 299.434 1.372 10 0 CDAERP CCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001734156680 1183677713 /nfs/dbraw/zinc/67/77/13/1183677713.db2.gz YEQSCRBAZKEHJX-HUUCEWRRSA-N 2 0 295.471 1.955 10 0 CDAERP O=C(N[C@H]1C[C@H](C[NH2+]CCCF)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001734208361 1183691441 /nfs/dbraw/zinc/69/14/41/1183691441.db2.gz KBXXLRYWJVHIEF-QEJZJMRPSA-N 2 0 297.418 1.172 10 0 CDAERP CCCC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001734228903 1183699011 /nfs/dbraw/zinc/69/90/11/1183699011.db2.gz GHGAOQXJLQOIFM-KBPBESRZSA-N 2 0 269.433 1.755 10 0 CDAERP CCCC[NH2+]CCC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001734260938 1183706686 /nfs/dbraw/zinc/70/66/86/1183706686.db2.gz LTLZZYZQSGPBAR-CQSZACIVSA-N 2 0 281.444 1.757 10 0 CDAERP CCCC[NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C ZINC001734501802 1183802292 /nfs/dbraw/zinc/80/22/92/1183802292.db2.gz VCEOKTLAMWNUSL-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC000344159908 1164340058 /nfs/dbraw/zinc/34/00/58/1164340058.db2.gz OLEDRBAQKKPDLP-XHSDSOJGSA-N 2 0 295.471 1.953 10 0 CDAERP COCCCN(C)CC[NH2+][C@@H]1CCOC[C@@H]1C(C)C ZINC000925145842 729345412 /nfs/dbraw/zinc/34/54/12/729345412.db2.gz VIHUIFWNCNKTHM-HUUCEWRRSA-N 2 0 272.433 1.605 10 0 CDAERP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccnc(F)c1 ZINC000858196428 728778661 /nfs/dbraw/zinc/77/86/61/728778661.db2.gz PYTUHHMTAJXNJZ-UHFFFAOYSA-N 2 0 280.391 1.290 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)CC[N@@H+]1C ZINC000864077369 1164505747 /nfs/dbraw/zinc/50/57/47/1164505747.db2.gz NRFDUONQPMBXSY-FSDCSDTHSA-N 2 0 293.455 1.517 10 0 CDAERP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1cccc(O)c1 ZINC000925810906 728794152 /nfs/dbraw/zinc/79/41/52/728794152.db2.gz BYYYTUBNXXZGAV-GFCCVEGCSA-N 2 0 263.385 1.466 10 0 CDAERP CCCCCC[N@H+](C)CC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000844192701 728801429 /nfs/dbraw/zinc/80/14/29/728801429.db2.gz LSSYRAWTJAPXJE-OAHLLOKOSA-N 2 0 281.444 1.851 10 0 CDAERP C[C@@H]([NH2+]CC(C)(C)CS(C)(=O)=O)[C@@H]1CCC[NH2+]C1 ZINC000723851529 728802979 /nfs/dbraw/zinc/80/29/79/728802979.db2.gz ZXNLHNAVKLIJHZ-VXGBXAGGSA-N 2 0 276.446 1.035 10 0 CDAERP C[C@@H](CNC(=[NH2+])NCCc1cccs1)[NH+]1CCCC1 ZINC000848986731 728804514 /nfs/dbraw/zinc/80/45/14/728804514.db2.gz YIGIBQLAPPDAEP-LBPRGKRZSA-N 2 0 280.441 1.889 10 0 CDAERP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000925787467 728817843 /nfs/dbraw/zinc/81/78/43/728817843.db2.gz SYYRTSCYCHBJSU-BFJAYTPKSA-N 2 0 261.413 1.390 10 0 CDAERP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923496721 728842500 /nfs/dbraw/zinc/84/25/00/728842500.db2.gz CIFWZKCVPDJFON-XDQVBPFNSA-N 2 0 269.433 1.596 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]CCOc2ncccc2Cl)C12CCC2 ZINC000925585893 728846537 /nfs/dbraw/zinc/84/65/37/728846537.db2.gz AYHOJBRETRINAO-VXGBXAGGSA-N 2 0 281.787 1.973 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CCCc3cc(C[NH3+])ccc32)CC[N@@H+]1C ZINC000843341904 728851231 /nfs/dbraw/zinc/85/12/31/728851231.db2.gz IEUOGANSQSWZKD-IUODEOHRSA-N 2 0 287.407 1.765 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCOC(F)F)[C@@H](C)C1 ZINC000851846997 728868059 /nfs/dbraw/zinc/86/80/59/728868059.db2.gz MTANYQZNVAGGEN-QWRGUYRKSA-N 2 0 250.333 1.888 10 0 CDAERP CCN1C[C@@H](CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)OC1=O ZINC000846806298 728885619 /nfs/dbraw/zinc/88/56/19/728885619.db2.gz FIERTIFWPYMPQC-LSDHHAIUSA-N 2 0 295.427 1.491 10 0 CDAERP COC(=O)c1cc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)n(C)c1C ZINC000925768539 728883494 /nfs/dbraw/zinc/88/34/94/728883494.db2.gz KDYUMDYNFAOKMD-NHYWBVRUSA-N 2 0 293.411 1.598 10 0 CDAERP CC1(C)CCC[C@@H]1[C@@H]1CC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923384971 728895996 /nfs/dbraw/zinc/89/59/96/728895996.db2.gz RDSVPAUFLSIQMO-SEBNEYGDSA-N 2 0 266.429 1.985 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)CC[NH2+]C(C)(C)C ZINC000037633758 728897499 /nfs/dbraw/zinc/89/74/99/728897499.db2.gz RKYBWVSJKBZWRN-ZDUSSCGKSA-N 2 0 271.449 1.857 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000094754756 728904458 /nfs/dbraw/zinc/90/44/58/728904458.db2.gz JURZLZZHFQBSKE-KFWWJZLASA-N 2 0 281.444 1.837 10 0 CDAERP COCC1(C[NH2+][C@H]2CC[NH2+]C23CCCC3)CCOCC1 ZINC000925672335 728905843 /nfs/dbraw/zinc/90/58/43/728905843.db2.gz HOFCGJOALUGBSV-AWEZNQCLSA-N 2 0 282.428 1.694 10 0 CDAERP C[C@@H](N[C@@H]1C[NH2+]CC2(CCOCC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000925792512 728925368 /nfs/dbraw/zinc/92/53/68/728925368.db2.gz AFYMDYJPJNVVJW-ILXRZTDVSA-N 2 0 281.444 1.265 10 0 CDAERP [NH3+]Cc1ccc2c(c1)N(CCC[NH2+]C1CC1)CCO2 ZINC000923412276 729090745 /nfs/dbraw/zinc/09/07/45/729090745.db2.gz REHZDLYWWHXAGK-UHFFFAOYSA-N 2 0 261.369 1.486 10 0 CDAERP CC1(C)CO[C@H](C[N@@H+]2CCC3(C2)CC[NH2+]CC3)C1 ZINC000708425336 729173663 /nfs/dbraw/zinc/17/36/63/729173663.db2.gz VCCAGZUEVKEMNO-ZDUSSCGKSA-N 2 0 252.402 1.877 10 0 CDAERP CCc1nocc1C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923451605 728382552 /nfs/dbraw/zinc/38/25/52/728382552.db2.gz MQZKNZUEWUANOM-CYBMUJFWSA-N 2 0 279.384 1.567 10 0 CDAERP C[N@H+](CCOc1ccccc1F)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923302005 728384288 /nfs/dbraw/zinc/38/42/88/728384288.db2.gz PARAOUGRHKRIBQ-CYBMUJFWSA-N 2 0 294.370 1.515 10 0 CDAERP O[C@H](CN(C1CC1)[C@@H]1CC[NH2+]C1)CC(F)(F)F ZINC000923330166 728390192 /nfs/dbraw/zinc/39/01/92/728390192.db2.gz YJWWBPKPDMBTFL-ZJUUUORDSA-N 2 0 252.280 1.126 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H]2CCn3ccnc3C2)C1 ZINC000925643369 728396923 /nfs/dbraw/zinc/39/69/23/728396923.db2.gz IKJIMVFLUGQSHC-FRRDWIJNSA-N 2 0 262.401 1.694 10 0 CDAERP c1[nH]nc2c1[C@@H](Nc1cc(N3CC[NH2+]CC3)cc[nH+]1)CCC2 ZINC000873241012 728399176 /nfs/dbraw/zinc/39/91/76/728399176.db2.gz CIFPLKBKICWLQC-AWEZNQCLSA-N 2 0 298.394 1.704 10 0 CDAERP C[C@@H]1C[N@H+](Cc2cn3cccnc3n2)C[C@H]1CC[NH3+] ZINC000723890870 728401632 /nfs/dbraw/zinc/40/16/32/728401632.db2.gz IXUYXDYRSXWFBG-VXGBXAGGSA-N 2 0 259.357 1.146 10 0 CDAERP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]CCC[NH3+])C1 ZINC000817938090 728428591 /nfs/dbraw/zinc/42/85/91/728428591.db2.gz DEHOQQFJQVJPBH-ZJUUUORDSA-N 2 0 264.316 1.292 10 0 CDAERP CC(C)OCC[C@@H](O)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000923387546 728458553 /nfs/dbraw/zinc/45/85/53/728458553.db2.gz LWSZUUMERDMKKC-DLBZAZTESA-N 2 0 298.471 1.874 10 0 CDAERP FC(F)CC1C[C@H]2CC[C@@H](C1)[N@H+]2CCN1CC[NH2+]CC1 ZINC000923526937 728461519 /nfs/dbraw/zinc/46/15/19/728461519.db2.gz WEOGIRPOHIHPGM-AGUYFDCRSA-N 2 0 287.398 1.790 10 0 CDAERP C[C@@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)[NH+]1CCCCC1 ZINC000848594939 728470974 /nfs/dbraw/zinc/47/09/74/728470974.db2.gz HOXGOVILOMRSRL-VHSXEESVSA-N 2 0 296.337 1.050 10 0 CDAERP C[NH+](C)C1(C)CC[NH+](C[C@@H]2C[C@]23CCOC3)CC1 ZINC000931356796 728509458 /nfs/dbraw/zinc/50/94/58/728509458.db2.gz NDNOXRVUSRYZGL-ZFWWWQNUSA-N 2 0 252.402 1.829 10 0 CDAERP O=C(CCC12CC(C1)C[NH2+]2)N1CCC2(CC[NH2+]CC2)CC1 ZINC000870913609 728510666 /nfs/dbraw/zinc/51/06/66/728510666.db2.gz YSCKXWQNOSIIBX-UHFFFAOYSA-N 2 0 291.439 1.511 10 0 CDAERP CC1(C)C[C@@H]([NH2+]CCO[C@H]2CCOC2)C[C@@H]([NH3+])C1 ZINC000925874284 728532782 /nfs/dbraw/zinc/53/27/82/728532782.db2.gz IAYDVGBZFWBYKQ-AGIUHOORSA-N 2 0 256.390 1.288 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)N[C@@H]1CC[NH2+]C12CCC2 ZINC000925668978 728538507 /nfs/dbraw/zinc/53/85/07/728538507.db2.gz MTGUMZRRIKFHRQ-ZIAGYGMSSA-N 2 0 253.434 1.981 10 0 CDAERP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3CC(C)(C)CO3)C[C@]2(C)C1 ZINC000933734096 728562100 /nfs/dbraw/zinc/56/21/00/728562100.db2.gz LOFZDWJEKFOWMZ-IPYPFGDCSA-N 2 0 252.402 1.685 10 0 CDAERP CCn1ncc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)n1 ZINC000857086535 728568269 /nfs/dbraw/zinc/56/82/69/728568269.db2.gz LNCHSTBHKBYXSN-GFCCVEGCSA-N 2 0 263.389 1.262 10 0 CDAERP CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CCCCCC[NH3+] ZINC000846218733 728580951 /nfs/dbraw/zinc/58/09/51/728580951.db2.gz SJDXHZLCQIMLFX-AWEZNQCLSA-N 2 0 269.433 1.838 10 0 CDAERP CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714487509 728581322 /nfs/dbraw/zinc/58/13/22/728581322.db2.gz SKUGLDUCTSMQBR-STQMWFEESA-N 2 0 283.460 1.987 10 0 CDAERP C[C@H]1C[N@H+](CC(=O)Nc2ccc(Cl)cn2)CC[C@@H]1C[NH3+] ZINC000923498344 728593269 /nfs/dbraw/zinc/59/32/69/728593269.db2.gz OFYDSKIKEXXKNQ-WDEREUQCSA-N 2 0 296.802 1.590 10 0 CDAERP Cc1cc(N2CCc3sc(C[NH3+])nc3C2)cc[nH+]1 ZINC000710207211 728593800 /nfs/dbraw/zinc/59/38/00/728593800.db2.gz HMZZQRFVHMLDTG-UHFFFAOYSA-N 2 0 260.366 1.868 10 0 CDAERP CCOC(=O)CCCC[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872152547 728960440 /nfs/dbraw/zinc/96/04/40/728960440.db2.gz SZCIOMPCALYRIH-QWRGUYRKSA-N 2 0 296.333 1.789 10 0 CDAERP C[N@H+](CCCCCC[NH3+])CC(=O)NCc1ccc(F)cc1 ZINC000872155017 728972971 /nfs/dbraw/zinc/97/29/71/728972971.db2.gz JRZDUIJKVBAOEB-UHFFFAOYSA-N 2 0 295.402 1.893 10 0 CDAERP CC(C)c1noc(CN2CC[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000923500455 728984061 /nfs/dbraw/zinc/98/40/61/728984061.db2.gz QSXAFOBASCDPHQ-MNOVXSKESA-N 2 0 252.362 1.610 10 0 CDAERP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000872276649 729006247 /nfs/dbraw/zinc/00/62/47/729006247.db2.gz RZCWUKLGXCMTEW-RVFNEKRJSA-N 2 0 279.428 1.293 10 0 CDAERP [NH3+]C[C@H]1CN(CCOCC(F)F)C[C@H]1C(F)(F)F ZINC000872152502 729009974 /nfs/dbraw/zinc/00/99/74/729009974.db2.gz SFMHYKQGOZTDIU-JGVFFNPUSA-N 2 0 276.249 1.337 10 0 CDAERP CCN(C)C(=O)[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925648779 729011689 /nfs/dbraw/zinc/01/16/89/729011689.db2.gz FYQZDEIJTGOSRT-SRVKXCTJSA-N 2 0 255.406 1.349 10 0 CDAERP [NH3+][C@H](C[C@H]1CCC[N@@H+]([C@H]2CCOC2=O)C1)C1CCCC1 ZINC000872157230 729045418 /nfs/dbraw/zinc/04/54/18/729045418.db2.gz NTLVLMJZVGVGNX-YUELXQCFSA-N 2 0 280.412 1.922 10 0 CDAERP C[C@H]1[C@@H](NC(=O)N(C)CC2([NH+](C)C)CCC2)CC[N@@H+]1C ZINC000925334505 729046280 /nfs/dbraw/zinc/04/62/80/729046280.db2.gz LAELXOLVCFSDKP-STQMWFEESA-N 2 0 282.432 1.205 10 0 CDAERP C[C@]12CN(CCC[NH3+])C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702098462 729056481 /nfs/dbraw/zinc/05/64/81/729056481.db2.gz ZKHZSCFUPCBDML-DLBZAZTESA-N 2 0 273.424 1.789 10 0 CDAERP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCCc3cn[nH]c32)CC1 ZINC000857852657 729062535 /nfs/dbraw/zinc/06/25/35/729062535.db2.gz DCBXZYWWEGEHKV-HNNXBMFYSA-N 2 0 291.443 1.404 10 0 CDAERP C[C@H](Cc1ccsc1)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925811896 729097653 /nfs/dbraw/zinc/09/76/53/729097653.db2.gz UDGXLXUEPGRKTR-GFCCVEGCSA-N 2 0 267.442 1.692 10 0 CDAERP [NH3+][C@H]1CCC[C@H]([NH2+]C[C@]23OCCC[C@H]2C3(F)F)C1 ZINC000854229276 729098709 /nfs/dbraw/zinc/09/87/09/729098709.db2.gz JTKKNWOXMZPNJJ-YFKTTZPYSA-N 2 0 260.328 1.660 10 0 CDAERP CCN1CC[NH+](CCCC[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925545259 729128483 /nfs/dbraw/zinc/12/84/83/729128483.db2.gz HTHOBVSOWBOCLB-HOTGVXAUSA-N 3 0 294.487 1.264 10 0 CDAERP CCCCCC[N@H+](C)CC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000834546962 729170923 /nfs/dbraw/zinc/17/09/23/729170923.db2.gz XOJPMRVTFLHJCD-KGLIPLIRSA-N 2 0 269.433 1.613 10 0 CDAERP CC(C)[C@@H]1COCC[C@@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000924579069 729194801 /nfs/dbraw/zinc/19/48/01/729194801.db2.gz USRGTYAKGGZNKR-HOTGVXAUSA-N 2 0 283.460 1.275 10 0 CDAERP C[N@@H+]1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CCC1(C)C ZINC000712670317 729196256 /nfs/dbraw/zinc/19/62/56/729196256.db2.gz HRGIEFPAISQBJD-NWDGAFQWSA-N 2 0 253.390 1.057 10 0 CDAERP [NH3+]C[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@H]1C(F)(F)F ZINC000709875740 729217027 /nfs/dbraw/zinc/21/70/27/729217027.db2.gz QUZKVIYXZZIHBD-GMTAPVOTSA-N 2 0 266.307 1.482 10 0 CDAERP COC(=O)c1cc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)n(C)c1C ZINC000925768540 729219862 /nfs/dbraw/zinc/21/98/62/729219862.db2.gz KDYUMDYNFAOKMD-XHDPSFHLSA-N 2 0 293.411 1.598 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]CCc2ccc3c(c2)OCO3)C12CCC2 ZINC000925512002 729220672 /nfs/dbraw/zinc/22/06/72/729220672.db2.gz YCXBFVPHQSSLPQ-CABCVRRESA-N 2 0 274.364 1.817 10 0 CDAERP Cc1cccc(N2CCN(C[C@@H]3C[NH2+]C[C@H]3C)CC2)c1 ZINC000111273132 729246568 /nfs/dbraw/zinc/24/65/68/729246568.db2.gz VYCSIXZHWICZDJ-CVEARBPZSA-N 2 0 273.424 1.973 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925552765 729265769 /nfs/dbraw/zinc/26/57/69/729265769.db2.gz YZKUHGIOUVZLOK-MGPQQGTHSA-N 2 0 251.418 1.720 10 0 CDAERP CC[C@@H]([NH2+]CCOCC[NH+](C)C)[C@H]1CCCOC1 ZINC000872065191 729279130 /nfs/dbraw/zinc/27/91/30/729279130.db2.gz VKFYRRPFQNTWEH-UONOGXRCSA-N 2 0 258.406 1.359 10 0 CDAERP CC[C@H]1CN(C)CCN1C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000818977307 729283958 /nfs/dbraw/zinc/28/39/58/729283958.db2.gz DHMNIEMOPAEHFN-XJKSGUPXSA-N 2 0 299.434 1.752 10 0 CDAERP C[C@@H]1C[N@H+](C[C@]2(O)CCCOC2)CCN1c1cc[nH+]cc1 ZINC000880258344 729299389 /nfs/dbraw/zinc/29/93/89/729299389.db2.gz GJMWZXHJOCOCJC-GDBMZVCRSA-N 2 0 291.395 1.134 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+]C[C@]1(C(F)(F)F)CCCN1 ZINC000925852219 729306184 /nfs/dbraw/zinc/30/61/84/729306184.db2.gz FBTUCWNFNFOXFR-MNOVXSKESA-N 2 0 267.339 1.778 10 0 CDAERP CC[N@H+](CCN[C@H]1C[C@H]([NH3+])CC(C)(C)C1)C1CC1 ZINC000925556887 729313307 /nfs/dbraw/zinc/31/33/07/729313307.db2.gz LQXNMSJAVIVYIY-STQMWFEESA-N 2 0 253.434 1.966 10 0 CDAERP C[C@@H]1C[C@H](N(C)C[C@@H](O)c2ccccn2)CC[N@@H+]1C ZINC000851796321 729344507 /nfs/dbraw/zinc/34/45/07/729344507.db2.gz AYEDIZNXNHGZOM-UMVBOHGHSA-N 2 0 263.385 1.530 10 0 CDAERP c1cc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(C2CC2)c[nH+]1 ZINC000872432013 729354078 /nfs/dbraw/zinc/35/40/78/729354078.db2.gz KIZGYZOWNFLJPL-ZIAGYGMSSA-N 2 0 273.380 1.656 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](NC(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000709550577 729356475 /nfs/dbraw/zinc/35/64/75/729356475.db2.gz NMODTXJSDZDHAV-OBJOEFQTSA-N 2 0 253.390 1.118 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccnc1-n1ccnc1 ZINC000817898207 729371358 /nfs/dbraw/zinc/37/13/58/729371358.db2.gz FVWQRMGVSUBFBW-DZGCQCFKSA-N 2 0 285.395 1.874 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)c1cccc(C[NH3+])c1 ZINC000854014103 729382972 /nfs/dbraw/zinc/38/29/72/729382972.db2.gz NWSZVTLOYMTQMP-UHFFFAOYSA-N 2 0 277.412 1.996 10 0 CDAERP C[C@@H]1C[C@@H]1NC(=[NH2+])NCC(C)(C)C[NH+]1CCCC1 ZINC000864464471 729398630 /nfs/dbraw/zinc/39/86/30/729398630.db2.gz CZRQBLYZBYCBGY-NEPJUHHUSA-N 2 0 252.406 1.631 10 0 CDAERP CC[NH2+]CC1CCN(C(=O)CCC23CC(C2)C[NH2+]3)CC1 ZINC000870936718 729402342 /nfs/dbraw/zinc/40/23/42/729402342.db2.gz CAZFMJIWVNXVFQ-UHFFFAOYSA-N 2 0 279.428 1.367 10 0 CDAERP CCCn1ncnc1CN1CCC(C(C)(C)C[NH3+])CC1 ZINC000714478005 729458874 /nfs/dbraw/zinc/45/88/74/729458874.db2.gz HCGIMDXSFOGUKW-UHFFFAOYSA-N 2 0 279.432 1.885 10 0 CDAERP CC(C)NC(=O)CC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925594077 729476395 /nfs/dbraw/zinc/47/63/95/729476395.db2.gz LVKUTCFWXMQTQH-XBFCOCLRSA-N 2 0 267.417 1.267 10 0 CDAERP CC[C@H]([NH2+]C)C(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000852797597 729484223 /nfs/dbraw/zinc/48/42/23/729484223.db2.gz XJQSJONMHFPZMY-ZDUSSCGKSA-N 2 0 261.369 1.423 10 0 CDAERP Cc1cc(C)cc([C@H](O)C[NH2+]CCOCC[NH+](C)C)c1 ZINC000819210251 729495158 /nfs/dbraw/zinc/49/51/58/729495158.db2.gz APEGVEHHYAOTBP-MRXNPFEDSA-N 2 0 280.412 1.505 10 0 CDAERP [NH3+]CCCCCC[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000846218179 729501886 /nfs/dbraw/zinc/50/18/86/729501886.db2.gz MODLHSQYAKCHTH-OAHLLOKOSA-N 2 0 281.444 1.840 10 0 CDAERP Cc1nc(C)c(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)[nH]1 ZINC000724787328 729511422 /nfs/dbraw/zinc/51/14/22/729511422.db2.gz VTWRHPZLUGREAD-DZGCQCFKSA-N 2 0 262.401 1.943 10 0 CDAERP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@]3(C)CCC[NH2+]3)CC[C@@H]21 ZINC000709527624 729517328 /nfs/dbraw/zinc/51/73/28/729517328.db2.gz AFRYPWSQULWDFN-YDHLFZDLSA-N 2 0 265.401 1.071 10 0 CDAERP C(CN1CC[NH2+]CC[NH2+]CC1)OC1CCCCCC1 ZINC000923462229 729532626 /nfs/dbraw/zinc/53/26/26/729532626.db2.gz FNAHYUMTQGTQNB-UHFFFAOYSA-N 2 0 269.433 1.221 10 0 CDAERP CC[N@H+](CCNC(=O)N[C@H]1CC[C@H](C)[NH2+]C1)C(C)C ZINC000861570537 729562661 /nfs/dbraw/zinc/56/26/61/729562661.db2.gz UVOSEOWFRMMMCZ-STQMWFEESA-N 2 0 270.421 1.156 10 0 CDAERP C[C@H](NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C)C(C)(C)C[NH+](C)C ZINC000921388270 729566597 /nfs/dbraw/zinc/56/65/97/729566597.db2.gz DVXGSIQJQDWVMW-AGIUHOORSA-N 2 0 284.448 1.355 10 0 CDAERP CNC(=O)CCC[N@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923371182 729592554 /nfs/dbraw/zinc/59/25/54/729592554.db2.gz QMNHAFCEZWFDQX-AGUYFDCRSA-N 2 0 267.417 1.365 10 0 CDAERP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857857298 729600136 /nfs/dbraw/zinc/60/01/36/729600136.db2.gz SZYLMFFUKKTZDJ-UONOGXRCSA-N 2 0 280.416 1.734 10 0 CDAERP CN(C(=O)c1cccc(C[NH3+])c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000831905885 729627944 /nfs/dbraw/zinc/62/79/44/729627944.db2.gz SFTKQEKQEZBKMW-OAHLLOKOSA-N 2 0 273.380 1.454 10 0 CDAERP CC(C)(C)CC[NH+]1CCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC1 ZINC000870871413 729634801 /nfs/dbraw/zinc/63/48/01/729634801.db2.gz WVRMPWXWISOOKD-KEYYUXOJSA-N 2 0 293.455 1.694 10 0 CDAERP C[C@@H]1CN(C)C[C@H]1[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000722243106 729649964 /nfs/dbraw/zinc/64/99/64/729649964.db2.gz GELKZPNVCYIIFG-FEWQNLEASA-N 2 0 253.434 1.789 10 0 CDAERP COc1ccc(CN2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1OC ZINC000703582487 729652528 /nfs/dbraw/zinc/65/25/28/729652528.db2.gz JZBAPNVZUZUOJJ-XJKSGUPXSA-N 2 0 276.380 1.745 10 0 CDAERP COc1ccccc1CC[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923311008 729655924 /nfs/dbraw/zinc/65/59/24/729655924.db2.gz DLXYAYBDAJWVPE-HNNXBMFYSA-N 2 0 290.407 1.548 10 0 CDAERP C[C@@H](c1cccc(Cl)c1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923459137 729665475 /nfs/dbraw/zinc/66/54/75/729665475.db2.gz AMGUCWLVKYWDDW-LBPRGKRZSA-N 2 0 267.804 1.896 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000852796570 729676183 /nfs/dbraw/zinc/67/61/83/729676183.db2.gz FIMQNGPFNFUURA-UHFFFAOYSA-N 2 0 271.364 1.581 10 0 CDAERP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cn(C)nc1Cl ZINC000856771409 729696399 /nfs/dbraw/zinc/69/63/99/729696399.db2.gz FMQXPFGPBBWQJM-LBPRGKRZSA-N 2 0 288.823 1.520 10 0 CDAERP [NH3+]C[C@@H]1CN(CCC[NH+]2CCCCC2)C[C@@H]1C(F)(F)F ZINC000720809236 729792025 /nfs/dbraw/zinc/79/20/25/729792025.db2.gz FWHTUHIDRQBJPQ-OLZOCXBDSA-N 2 0 293.377 1.931 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC(=O)NC(C)(C)C ZINC000925368101 729808005 /nfs/dbraw/zinc/80/80/05/729808005.db2.gz WUJCLOWBTNBOGW-ONXXMXGDSA-N 2 0 267.417 1.221 10 0 CDAERP CN1Cc2ccccc2[C@@H]1CNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000867999198 729822656 /nfs/dbraw/zinc/82/26/56/729822656.db2.gz UPEBNXQFXYIRIA-SOLBZPMBSA-N 2 0 299.418 1.679 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1)[NH+]1CCCCC1 ZINC000227814691 729828990 /nfs/dbraw/zinc/82/89/90/729828990.db2.gz HHBXFOQCOCKVGL-JHJVBQTASA-N 2 0 253.390 1.104 10 0 CDAERP C[C@H]([NH2+][C@@H]1CCCN2CCSC[C@H]12)[C@@H]1CC[NH2+]C1 ZINC000720484773 729838872 /nfs/dbraw/zinc/83/88/72/729838872.db2.gz RLKPOTGOXSTSBS-REWJHTLYSA-N 2 0 269.458 1.154 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)c1ccnc(Cl)c1 ZINC000863543233 729846045 /nfs/dbraw/zinc/84/60/45/729846045.db2.gz LVUCLQPGWSZTMP-SNVBAGLBSA-N 2 0 257.765 1.622 10 0 CDAERP CC[C@@H](C(=O)N1CC[N@H+](C)C(C)(C)CC1)[NH+](C)C ZINC000871154532 729872351 /nfs/dbraw/zinc/87/23/51/729872351.db2.gz GPOAJSFQUDHZEZ-LBPRGKRZSA-N 2 0 255.406 1.269 10 0 CDAERP C1C[C@@H]2C[C@H]([NH2+][C@@H]3[C@H]4C[C@H]5CO[C@H]3[C@H]5C4)CC[N@@H+]2C1 ZINC000865697613 729874724 /nfs/dbraw/zinc/87/47/24/729874724.db2.gz ZYNYXBAHUQVFDG-DUMGAFKDSA-N 2 0 262.397 1.626 10 0 CDAERP O=C1O[C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CN1C1CC1 ZINC000848568919 729876322 /nfs/dbraw/zinc/87/63/22/729876322.db2.gz AQHKWLOPYUWOER-FPMFFAJLSA-N 2 0 279.384 1.186 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]CCOc2ncccc2F)C12CCC2 ZINC000925615005 729876710 /nfs/dbraw/zinc/87/67/10/729876710.db2.gz DNZZQWNQWMPEJN-NEPJUHHUSA-N 2 0 265.332 1.459 10 0 CDAERP C[C@H]1CC2(CC([NH2+]C3CCN([C@H]4CCOC4)CC3)C2)CO1 ZINC000926717776 729876985 /nfs/dbraw/zinc/87/69/85/729876985.db2.gz CPPIQGBKIAMDIB-PXZKZTPFSA-N 2 0 294.439 1.787 10 0 CDAERP CC(C)(C)c1cccc(CN2CC[NH2+]CC[NH2+]CC2)c1 ZINC000923459756 729914169 /nfs/dbraw/zinc/91/41/69/729914169.db2.gz FNXJGNSQRICJKG-UHFFFAOYSA-N 2 0 275.440 1.979 10 0 CDAERP Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOCC[NH3+])no1 ZINC000866715206 729917907 /nfs/dbraw/zinc/91/79/07/729917907.db2.gz LAQZXYFZZZNELX-YHWZYXNKSA-N 2 0 280.372 1.064 10 0 CDAERP C[C@H](C(=O)NC1CC1)[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714448334 729959500 /nfs/dbraw/zinc/95/95/00/729959500.db2.gz SJMUTZZGJYBMDH-LLVKDONJSA-N 2 0 267.417 1.350 10 0 CDAERP CC(C)N1C[C@H](N[C@H]2CC[NH2+]C23CCCC3)CC1=O ZINC000925581147 729960529 /nfs/dbraw/zinc/96/05/29/729960529.db2.gz PTEMCLVLMFXVKO-OLZOCXBDSA-N 2 0 265.401 1.260 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000847332075 729977193 /nfs/dbraw/zinc/97/71/93/729977193.db2.gz NVFVSJKDQUHZPJ-ZQDZILKHSA-N 2 0 296.459 1.499 10 0 CDAERP COC(=O)[C@@H]1C[C@@H](C)N(C[C@H](O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000860186172 729977525 /nfs/dbraw/zinc/97/75/25/729977525.db2.gz PHZCYGHWVFVTDX-LXTVHRRPSA-N 2 0 298.427 1.105 10 0 CDAERP C[C@@H]1[C@H](NC(=O)N[C@H]2CC[NH+](C(C)(C)C)C2)CC[N@@H+]1C ZINC000923189503 729980672 /nfs/dbraw/zinc/98/06/72/729980672.db2.gz HTYIKPSWKVEKIX-FRRDWIJNSA-N 2 0 282.432 1.251 10 0 CDAERP CCO[C@@H]1C[N@H+](C[C@@H]2CC[C@H](C3CC3)O2)C[C@H]1C[NH3+] ZINC000715397965 729992535 /nfs/dbraw/zinc/99/25/35/729992535.db2.gz XXVPIKOUQZVOTP-LXTVHRRPSA-N 2 0 268.401 1.240 10 0 CDAERP CC[NH+](CC)CC[C@H](CO)[NH2+]CC1(O)CCCCC1 ZINC000843103591 730005803 /nfs/dbraw/zinc/00/58/03/730005803.db2.gz MRERQTCCEMUXBO-CQSZACIVSA-N 2 0 272.433 1.364 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C[NH2+]1 ZINC000861563580 730029038 /nfs/dbraw/zinc/02/90/38/730029038.db2.gz UYWYPIDENOGSOL-TZMCWYRMSA-N 2 0 296.459 1.689 10 0 CDAERP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)[C@H](O)c1ccc2c(c1)OCO2 ZINC000848721208 730049658 /nfs/dbraw/zinc/04/96/58/730049658.db2.gz BVZQQUSBWGTGCC-SDPXSBNPSA-N 2 0 292.379 1.697 10 0 CDAERP CC1CC[NH+](CCN[C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925547662 730051921 /nfs/dbraw/zinc/05/19/21/730051921.db2.gz OZPSOBUEIFTBKV-OAHLLOKOSA-N 2 0 265.445 1.983 10 0 CDAERP O=C1[C@H](N2CC[C@@]3(C2)CCC[NH2+]C3)CCN1C1CCC1 ZINC000866664464 730053434 /nfs/dbraw/zinc/05/34/34/730053434.db2.gz DGWLDXDJLYVIEP-ZBFHGGJFSA-N 2 0 277.412 1.215 10 0 CDAERP C[NH+](C)CC1(O)CC[NH+](Cc2cc(CO)ccc2F)CC1 ZINC000931480383 730071078 /nfs/dbraw/zinc/07/10/78/730071078.db2.gz VUBGBZTWBRBREH-UHFFFAOYSA-N 2 0 296.386 1.207 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CC[NH+]3CCC2CC3)C1 ZINC000811386898 730074320 /nfs/dbraw/zinc/07/43/20/730074320.db2.gz SKXWAUSKPVAHDX-MRXNPFEDSA-N 2 0 297.418 1.506 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000841848099 730344093 /nfs/dbraw/zinc/34/40/93/730344093.db2.gz UYXMWJNDTXDWFQ-CQSZACIVSA-N 2 0 291.395 1.741 10 0 CDAERP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923499892 730393513 /nfs/dbraw/zinc/39/35/13/730393513.db2.gz UYNPZVBFRVGIKZ-JHJVBQTASA-N 2 0 255.406 1.158 10 0 CDAERP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000829578556 730366872 /nfs/dbraw/zinc/36/68/72/730366872.db2.gz MAPDTLTYKHNROJ-INIZCTEOSA-N 2 0 295.471 1.907 10 0 CDAERP [NH3+][C@@H]1C[C@@H](NCC(=O)NCCc2ccccc2)C12CCC2 ZINC000925586060 730366975 /nfs/dbraw/zinc/36/69/75/730366975.db2.gz RZPSQXOMIDDCCS-HUUCEWRRSA-N 2 0 287.407 1.205 10 0 CDAERP CO[C@@H]1CC[C@H]2OCC[N@H+](CCCCCC[NH3+])[C@@H]2C1 ZINC000846223797 730372145 /nfs/dbraw/zinc/37/21/45/730372145.db2.gz ORGMIZIBMXNJNR-RBSFLKMASA-N 2 0 270.417 1.774 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@H](CC(N)=O)C2CCOCC2)CC1(C)C ZINC000858154666 730386176 /nfs/dbraw/zinc/38/61/76/730386176.db2.gz OLNGODRITDDXRX-UONOGXRCSA-N 2 0 297.443 1.119 10 0 CDAERP Clc1cccc(CN2CC[NH2+]CC[NH2+]CC2)c1Cl ZINC000923459627 730387806 /nfs/dbraw/zinc/38/78/06/730387806.db2.gz JDKIUPICVCQPOV-UHFFFAOYSA-N 2 0 288.222 1.988 10 0 CDAERP COc1ccccc1[C@H](O)C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925494642 730388832 /nfs/dbraw/zinc/38/88/32/730388832.db2.gz ORAQYWNIWOJGGV-VHDGCEQUSA-N 2 0 276.380 1.588 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCCC[NH+]1CCCCC1 ZINC000924579124 730389116 /nfs/dbraw/zinc/38/91/16/730389116.db2.gz VOURAFCFBRQPBH-XYPWUTKMSA-N 3 0 265.445 1.792 10 0 CDAERP C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925857201 730397477 /nfs/dbraw/zinc/39/74/77/730397477.db2.gz ULIGZIFHJYQRKL-UPJWGTAASA-N 2 0 266.385 1.450 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CCC(C)([NH+](C)C)CC2)CC[N@@H+]1C ZINC000864082755 730400595 /nfs/dbraw/zinc/40/05/95/730400595.db2.gz YQVJJKTZBBSIHJ-UONOGXRCSA-N 2 0 281.444 1.659 10 0 CDAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC[C@H]1CNC(=O)C1 ZINC000925837215 730414805 /nfs/dbraw/zinc/41/48/05/730414805.db2.gz CSVUPIAKTUNTOP-MCIONIFRSA-N 2 0 267.417 1.413 10 0 CDAERP COCCNC(=[NH2+])NCC[N@H+](C)C1CCCCC1 ZINC000848988026 730416893 /nfs/dbraw/zinc/41/68/93/730416893.db2.gz ZIDNLHYHNKCOKG-UHFFFAOYSA-N 2 0 256.394 1.011 10 0 CDAERP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC1 ZINC000870947637 1165238388 /nfs/dbraw/zinc/23/83/88/1165238388.db2.gz GPTNMXQMESYXAI-FHIRATQRSA-N 2 0 291.439 1.350 10 0 CDAERP CN(CCCCCC[NH3+])N(C)C[C@H]1CCC[N@@H+]1C ZINC000872198236 1165388837 /nfs/dbraw/zinc/38/88/37/1165388837.db2.gz XZXGDAJWABRHLL-CQSZACIVSA-N 2 0 256.438 1.378 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1C ZINC000354632360 1167337260 /nfs/dbraw/zinc/33/72/60/1167337260.db2.gz FBZRWTRJYSYHLD-RFQIPJPRSA-N 2 0 267.417 1.316 10 0 CDAERP CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001439954923 1167711492 /nfs/dbraw/zinc/71/14/92/1167711492.db2.gz ZTABQKJSLANBNJ-SJORKVTESA-N 2 0 293.455 1.711 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001646285788 1167748014 /nfs/dbraw/zinc/74/80/14/1167748014.db2.gz PJSIPPLETFUQCZ-BFHYXJOUSA-N 2 0 282.432 1.205 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]CCOC ZINC001566535141 1167972878 /nfs/dbraw/zinc/97/28/78/1167972878.db2.gz NWPRRUPWFKFZIW-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP Cc1nc(CN(C)CCCNC(=O)CC[NH+](C)C)cs1 ZINC001566489316 1168305061 /nfs/dbraw/zinc/30/50/61/1168305061.db2.gz YCTNXAXHIVCSPV-UHFFFAOYSA-N 2 0 298.456 1.341 10 0 CDAERP CC[N@H+](CCCF)CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001566556341 1168335390 /nfs/dbraw/zinc/33/53/90/1168335390.db2.gz IFAAMTNMKTUGNP-UHFFFAOYSA-N 2 0 299.434 1.803 10 0 CDAERP CC[NH+](CC)[C@H](CNC(=[NH2+])NC1CC1)CC(C)C ZINC000066242742 894170392 /nfs/dbraw/zinc/17/03/92/894170392.db2.gz BGTNRZQULOJKFH-ZDUSSCGKSA-N 2 0 254.422 1.810 10 0 CDAERP CCCCC[N@@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001266353140 894522681 /nfs/dbraw/zinc/52/26/81/894522681.db2.gz PGIPVKDMZQJWAY-KBPBESRZSA-N 2 0 269.433 1.707 10 0 CDAERP CCO[C@@H](C[N@H+]1[C@@H]2CC[C@H]1CCN(C)C2)C1CC1 ZINC001176071706 913918386 /nfs/dbraw/zinc/91/83/86/913918386.db2.gz YVVIZTZNGZBLNC-ZNMIVQPWSA-N 2 0 252.402 1.970 10 0 CDAERP CCCCC[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001567517479 1168828488 /nfs/dbraw/zinc/82/84/88/1168828488.db2.gz IYICTJCPNZESFJ-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP O[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)S2)C[NH+]1CCCC1 ZINC000403605925 896551686 /nfs/dbraw/zinc/55/16/86/896551686.db2.gz WHBTYJCNGTXSDR-PBNFFQIGSA-N 2 0 270.442 1.459 10 0 CDAERP CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001418262503 896685888 /nfs/dbraw/zinc/68/58/88/896685888.db2.gz AJSPPJYDTIXEOH-ZFWWWQNUSA-N 2 0 281.444 1.898 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@@H]1CCC[C@H]([NH2+]CCCF)C1 ZINC001267092406 896757729 /nfs/dbraw/zinc/75/77/29/896757729.db2.gz AZBDLLPVKPSFRK-UONOGXRCSA-N 2 0 285.407 1.459 10 0 CDAERP CN(C[C@@H](O)C[NH2+]CCC1SCCS1)C1CC1 ZINC000693787048 897427216 /nfs/dbraw/zinc/42/72/16/897427216.db2.gz ZWQKTSRGVBURGQ-NSHDSACASA-N 2 0 276.471 1.227 10 0 CDAERP CC(C)=CC[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001267275537 897444383 /nfs/dbraw/zinc/44/43/83/897444383.db2.gz XJKUGAWMUYCLKY-CQSZACIVSA-N 2 0 267.417 1.485 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001267281149 897456620 /nfs/dbraw/zinc/45/66/20/897456620.db2.gz GNJYLRMVNKRGPD-CYBMUJFWSA-N 2 0 253.390 1.071 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@H]2CCC23CCCC3)CC1 ZINC000693854212 897591096 /nfs/dbraw/zinc/59/10/96/897591096.db2.gz NPFAZRKXIDLJLI-AWEZNQCLSA-N 2 0 251.418 1.722 10 0 CDAERP CC(C)=CC[NH2+]CCN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001267383986 897824791 /nfs/dbraw/zinc/82/47/91/897824791.db2.gz GWAYFLZPNCQPHF-UHFFFAOYSA-N 2 0 267.417 1.485 10 0 CDAERP CC[C@H](C(=O)N(C)CC[NH2+]Cc1ccc(F)cc1)[NH+](C)C ZINC001267457106 897936591 /nfs/dbraw/zinc/93/65/91/897936591.db2.gz RWFPFKBRRHABJY-OAHLLOKOSA-N 2 0 295.402 1.714 10 0 CDAERP C[NH+](C)C[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH+](C)C ZINC000694007377 897943526 /nfs/dbraw/zinc/94/35/26/897943526.db2.gz WXMAFPDLEUIGDJ-IAGOWNOFSA-N 2 0 275.440 1.858 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCCCCF)C1 ZINC001481084634 898768187 /nfs/dbraw/zinc/76/81/87/898768187.db2.gz VHPLUXROWWJNOQ-GJZGRUSLSA-N 2 0 299.434 1.659 10 0 CDAERP CC[C@@H](C(=O)N(CC)[C@H]1CC[N@H+](CCCOC)C1)[NH+](C)C ZINC001267791047 899735736 /nfs/dbraw/zinc/73/57/36/899735736.db2.gz VOLVOKLDQCNJHK-GJZGRUSLSA-N 2 0 299.459 1.286 10 0 CDAERP COCC[N@@H+]1CCCN(C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000094751857 901649607 /nfs/dbraw/zinc/64/96/07/901649607.db2.gz OBHSHHQDHPEWFC-CABCVRRESA-N 2 0 297.443 1.075 10 0 CDAERP CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CC[N@H+](C)CC ZINC001268288559 901757147 /nfs/dbraw/zinc/75/71/47/901757147.db2.gz JIJNUYJKYSWPJO-ZIAGYGMSSA-N 2 0 269.433 1.613 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001481739229 901985504 /nfs/dbraw/zinc/98/55/04/901985504.db2.gz VCJKAASSERGOOM-HUUCEWRRSA-N 2 0 283.460 1.907 10 0 CDAERP C[C@@H](CC[NH2+]CCC(F)(F)F)NC(=O)CC[NH+](C)C ZINC001268395296 901987022 /nfs/dbraw/zinc/98/70/22/901987022.db2.gz APSYGTCWYHCTNJ-JTQLQIEISA-N 2 0 283.338 1.375 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]CC1CCOCC1)[NH+](C)C ZINC001268406392 902008018 /nfs/dbraw/zinc/00/80/18/902008018.db2.gz XBLOFUPDKZMSHP-ZFWWWQNUSA-N 2 0 299.459 1.238 10 0 CDAERP CC[NH2+]CC[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001268416064 902033497 /nfs/dbraw/zinc/03/34/97/902033497.db2.gz HAEZPTYPIOSECI-CYBMUJFWSA-N 2 0 281.444 1.613 10 0 CDAERP CC[NH2+]CCC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001482005322 902455167 /nfs/dbraw/zinc/45/51/67/902455167.db2.gz JWSSEUAMKQWPEU-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001268669713 902928286 /nfs/dbraw/zinc/92/82/86/902928286.db2.gz NKAMARWGYJVBDP-CYBMUJFWSA-N 2 0 265.401 1.143 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)C(C)(C)c2cnc[nH]2)CC[N@@H+]1C ZINC001361912988 902929586 /nfs/dbraw/zinc/92/95/86/902929586.db2.gz JUVOZUUPZIWJLN-VXGBXAGGSA-N 2 0 278.400 1.628 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+]CC1CCCC1 ZINC001268671487 902934749 /nfs/dbraw/zinc/93/47/49/902934749.db2.gz UITHXIRWMDCYOW-CYBMUJFWSA-N 2 0 269.433 1.613 10 0 CDAERP CN(CCC[NH2+]CC1CCCCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268950071 903261111 /nfs/dbraw/zinc/26/11/11/903261111.db2.gz KMCRNUFVDBJQEG-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001269193140 903525843 /nfs/dbraw/zinc/52/58/43/903525843.db2.gz BEQBZEYVBGJTPI-SSBHQGKESA-N 2 0 279.428 1.485 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001269309999 903678880 /nfs/dbraw/zinc/67/88/80/903678880.db2.gz LUMNOSJAKWZQHB-MRXNPFEDSA-N 2 0 293.455 1.875 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482353357 905176163 /nfs/dbraw/zinc/17/61/63/905176163.db2.gz HVHSZHUSRTUSRM-KGLIPLIRSA-N 2 0 269.433 1.421 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CC(C)C ZINC001482370377 905222070 /nfs/dbraw/zinc/22/20/70/905222070.db2.gz VURPWUXOKKITNN-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[C@H](C(=O)N(C)[C@H](C)C[NH2+]CCCF)[NH+](C)C ZINC001271091321 905639434 /nfs/dbraw/zinc/63/94/34/905639434.db2.gz FCFYNUMZJYDQGF-CHWSQXEVSA-N 2 0 275.412 1.369 10 0 CDAERP CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001482457291 905660930 /nfs/dbraw/zinc/66/09/30/905660930.db2.gz RYGPJDISLYBWNE-CABCVRRESA-N 2 0 281.444 1.851 10 0 CDAERP C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1[NH2+]CCCF ZINC001271460302 906463629 /nfs/dbraw/zinc/46/36/29/906463629.db2.gz ZOFCVUXHINGVAL-UONOGXRCSA-N 2 0 285.407 1.268 10 0 CDAERP C[C@H]([NH2+]CCCF)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001271654105 906572958 /nfs/dbraw/zinc/57/29/58/906572958.db2.gz BHUTVZGHWAPIOT-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)CC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001271710647 906612918 /nfs/dbraw/zinc/61/29/18/906612918.db2.gz BMUCQLLIPGOGDZ-JKSUJKDBSA-N 2 0 295.471 1.812 10 0 CDAERP CCN(CC[NH2+]Cc1cccc(F)c1)C(=O)CC[NH+](C)C ZINC001482948295 908536084 /nfs/dbraw/zinc/53/60/84/908536084.db2.gz RNTXDGNOPUOCKF-UHFFFAOYSA-N 2 0 295.402 1.716 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC/C=C\C[NH2+]CC2CCCC2)C1 ZINC001483057769 909186940 /nfs/dbraw/zinc/18/69/40/909186940.db2.gz DWOHWCYDYRDILK-XVWMLYKFSA-N 2 0 293.455 1.780 10 0 CDAERP C[N@@H+]1CCN(C(=O)c2ccc(C[NH3+])cc2)CCC1(C)C ZINC000712691239 909586740 /nfs/dbraw/zinc/58/67/40/909586740.db2.gz URYFWSIOESGWPE-UHFFFAOYSA-N 2 0 275.396 1.702 10 0 CDAERP CC(C)(C[NH3+])C1CC[NH+](CCCN2CCOCC2)CC1 ZINC000714406297 909733732 /nfs/dbraw/zinc/73/37/32/909733732.db2.gz SMDOMAHGBNMETR-UHFFFAOYSA-N 2 0 283.460 1.406 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)C[NH2+]CCCF)C1 ZINC001483159533 909885808 /nfs/dbraw/zinc/88/58/08/909885808.db2.gz KBAPDTPXXRZLMK-KGLIPLIRSA-N 2 0 287.423 1.562 10 0 CDAERP C[C@@H]([NH2+]CCF)[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001409440424 910403702 /nfs/dbraw/zinc/40/37/02/910403702.db2.gz BJORCUIEVWDTLE-KGLIPLIRSA-N 2 0 287.423 1.705 10 0 CDAERP C[C@@H](C[NH2+]C/C=C/Cl)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001483236138 910530542 /nfs/dbraw/zinc/53/05/42/910530542.db2.gz AHRPYRFQGLRAMK-KMEVASEGSA-N 2 0 287.835 1.708 10 0 CDAERP CCC[NH2+]C[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001483296447 910816724 /nfs/dbraw/zinc/81/67/24/910816724.db2.gz IOTWQQTZUDZPPL-ZDUSSCGKSA-N 2 0 255.406 1.367 10 0 CDAERP CC[C@H](F)C[NH2+]CCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001483476081 911164490 /nfs/dbraw/zinc/16/44/90/911164490.db2.gz QQFBGGQGWDDENP-AWEZNQCLSA-N 2 0 299.434 1.801 10 0 CDAERP Cc1noc(C)c1C[NH2+]CCCN(C)C(=O)CC[NH+](C)C ZINC001483489869 911187678 /nfs/dbraw/zinc/18/76/78/911187678.db2.gz PFDWDVCVRAUKPN-UHFFFAOYSA-N 2 0 296.415 1.181 10 0 CDAERP c1cc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)n(-c2cc[nH+]cc2)n1 ZINC000922514683 921646929 /nfs/dbraw/zinc/64/69/29/921646929.db2.gz DXASVFWTUBWLMX-CVEARBPZSA-N 2 0 284.363 1.924 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCCCCF ZINC001483636538 912070792 /nfs/dbraw/zinc/07/07/92/912070792.db2.gz MGCRJPMWEWLSLF-KGLIPLIRSA-N 2 0 285.407 1.411 10 0 CDAERP COC[C@H](C)[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001648659187 1169147048 /nfs/dbraw/zinc/14/70/48/1169147048.db2.gz AJVLRSYQBAQOTP-SOUVJXGZSA-N 2 0 252.402 1.829 10 0 CDAERP CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001484126005 915447890 /nfs/dbraw/zinc/44/78/90/915447890.db2.gz SFJFVTSFVBPRHO-UKRRQHHQSA-N 2 0 267.417 1.176 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCOCC1 ZINC001484178287 915493978 /nfs/dbraw/zinc/49/39/78/915493978.db2.gz GMJJSMHIYOXFNL-AWEZNQCLSA-N 2 0 297.443 1.136 10 0 CDAERP CC(C)C[NH2+]CC[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001484535762 915864906 /nfs/dbraw/zinc/86/49/06/915864906.db2.gz KFWGTLIOACDGPA-AWEZNQCLSA-N 2 0 269.433 1.422 10 0 CDAERP Cc1ncc(C[NH2+]C2(CNC(=O)CC[NH+](C)C)CCC2)o1 ZINC001484649648 915993294 /nfs/dbraw/zinc/99/32/94/915993294.db2.gz PQJYCCRIFWDBIY-UHFFFAOYSA-N 2 0 294.399 1.063 10 0 CDAERP O=C(NCC1([NH2+]CCF)CCC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001484654695 915999260 /nfs/dbraw/zinc/99/92/60/915999260.db2.gz VATAKFNRTDUMSH-KBPBESRZSA-N 2 0 297.418 1.601 10 0 CDAERP CCCCC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001484699358 916045099 /nfs/dbraw/zinc/04/50/99/916045099.db2.gz OLVUMJKCXTZDRX-OAHLLOKOSA-N 2 0 297.443 1.089 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001568209356 1169179175 /nfs/dbraw/zinc/17/91/75/1169179175.db2.gz MABYEWCUNJIOIA-AWEZNQCLSA-N 2 0 269.433 1.470 10 0 CDAERP CCC[NH+]1CC([C@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001485538208 917065619 /nfs/dbraw/zinc/06/56/19/917065619.db2.gz BNIXPVKUGCMCTP-HOCLYGCPSA-N 2 0 295.471 1.953 10 0 CDAERP CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001485624153 917145437 /nfs/dbraw/zinc/14/54/37/917145437.db2.gz VMXRVMVDARDDER-FPCVCCKLSA-N 2 0 293.455 1.422 10 0 CDAERP CCC[NH2+]C[C@@H](C)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001568279775 1169218948 /nfs/dbraw/zinc/21/89/48/1169218948.db2.gz SDRSVPKQZUVCRG-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001490888453 936647566 /nfs/dbraw/zinc/64/75/66/936647566.db2.gz AGAHRSOBBSTPDO-JYJNAYRXSA-N 2 0 293.455 1.611 10 0 CDAERP CC[N@H+]1CC=C(CNC(=O)[C@@H](C)Cc2c[nH]cn2)CC1 ZINC001486517403 921085627 /nfs/dbraw/zinc/08/56/27/921085627.db2.gz QGMCVLYEPPRQJQ-LBPRGKRZSA-N 2 0 276.384 1.357 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)CN1CCC(C)([NH+](C)C)CC1 ZINC000709794989 923226102 /nfs/dbraw/zinc/22/61/02/923226102.db2.gz BUVWVILQWIZTAJ-AWEZNQCLSA-N 2 0 271.449 1.104 10 0 CDAERP C[N@@H+](Cc1ccc(F)c(F)c1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923305668 923730304 /nfs/dbraw/zinc/73/03/04/923730304.db2.gz ZZNABLFGXSMPFC-LBPRGKRZSA-N 2 0 282.334 1.775 10 0 CDAERP CCC[NH+]1CCC(N(C)CCC[NH2+]C2CC2)CC1 ZINC000923322315 923742704 /nfs/dbraw/zinc/74/27/04/923742704.db2.gz NTZPSUFOUVTFHS-UHFFFAOYSA-N 2 0 253.434 1.935 10 0 CDAERP CC(C)OCC[C@H](O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000923364032 923778549 /nfs/dbraw/zinc/77/85/49/923778549.db2.gz ICQCNCDAQQCBTO-JYJNAYRXSA-N 2 0 284.444 1.626 10 0 CDAERP C[C@@H](c1cnccn1)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923450201 923842371 /nfs/dbraw/zinc/84/23/71/923842371.db2.gz FHNOODSKIABRPL-STQMWFEESA-N 2 0 276.384 1.367 10 0 CDAERP Cc1ccc(OCCCN2CC[NH2+]CC[NH2+]CC2)cc1C ZINC000923460219 923846644 /nfs/dbraw/zinc/84/66/44/923846644.db2.gz DOUJBLFDLCIFJD-UHFFFAOYSA-N 2 0 291.439 1.567 10 0 CDAERP C[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)CC[C@H]1C[NH3+] ZINC000923492396 923879574 /nfs/dbraw/zinc/87/95/74/923879574.db2.gz OCGDLIRDZIBIJG-VNQPRFMTSA-N 2 0 262.397 1.507 10 0 CDAERP CC(C)C[NH2+][C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001410252393 925454822 /nfs/dbraw/zinc/45/48/22/925454822.db2.gz GAGSGVPBLBQHNK-HUUCEWRRSA-N 2 0 283.460 1.857 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001488770125 926686990 /nfs/dbraw/zinc/68/69/90/926686990.db2.gz DOVCZOORZYYRIH-AEGPPILISA-N 2 0 299.434 1.561 10 0 CDAERP CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1conc1C)[NH+](C)C ZINC001441540817 926771276 /nfs/dbraw/zinc/77/12/76/926771276.db2.gz QMFSNBXHVCPAQS-SMDDNHRTSA-N 2 0 296.415 1.260 10 0 CDAERP CCN(CC[NH2+]CC1CC(C)C1)C(=O)C1([NH+](C)C)CCC1 ZINC001273420844 926992823 /nfs/dbraw/zinc/99/28/23/926992823.db2.gz PHGSBJGSJXGQTE-UHFFFAOYSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCCC[NH+](C)C[C@@H]1CCCCO1 ZINC001490281403 927080947 /nfs/dbraw/zinc/08/09/47/927080947.db2.gz IQQNDDFWZZHARO-HNNXBMFYSA-N 2 0 299.459 1.334 10 0 CDAERP CCN(CC[NH2+]CC1CC1)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001273433500 927236051 /nfs/dbraw/zinc/23/60/51/927236051.db2.gz AOSIGMWBWQSPEE-CHWSQXEVSA-N 2 0 276.384 1.361 10 0 CDAERP CCCCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001490577489 927240889 /nfs/dbraw/zinc/24/08/89/927240889.db2.gz SGWZKRQQMCRBRI-OAHLLOKOSA-N 2 0 281.444 1.853 10 0 CDAERP c1c(C[N@@H+]2CC[C@H]3COC[C@H]3C2)sc2c1C[NH2+]CC2 ZINC000690350821 927789638 /nfs/dbraw/zinc/78/96/38/927789638.db2.gz YBHUFDNMTHJSPI-WCQYABFASA-N 2 0 278.421 1.862 10 0 CDAERP C[NH+](C)C1(CN[C@H]2C[C@H]([NH3+])CC(C)(C)C2)CCOCC1 ZINC000925488168 928083065 /nfs/dbraw/zinc/08/30/65/928083065.db2.gz HJRYESZRELJLFE-KBPBESRZSA-N 2 0 283.460 1.593 10 0 CDAERP CC(C)[NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001274024939 931125602 /nfs/dbraw/zinc/12/56/02/931125602.db2.gz JMTXGXQJZOFJPD-SREVYHEPSA-N 2 0 281.444 1.921 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CCC1CCCC1 ZINC001274263710 931485734 /nfs/dbraw/zinc/48/57/34/931485734.db2.gz TWMNGBDMKRDEFK-DWTRPJMMSA-N 2 0 293.455 1.923 10 0 CDAERP CCCC[NH2+]C/C=C\CNC(=O)C12CC[NH+](CC1)C2 ZINC001274507033 931504886 /nfs/dbraw/zinc/50/48/86/931504886.db2.gz CHKVYJRUSNNIPX-PLNGDYQASA-N 2 0 265.401 1.144 10 0 CDAERP CC[C@@H](C)C[NH2+]C/C=C\CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001274537133 931507323 /nfs/dbraw/zinc/50/73/23/931507323.db2.gz YNFYLICVCDDLMI-BUZJKLBMSA-N 2 0 293.455 1.780 10 0 CDAERP C[NH+]1CCC(C(=O)NC2CC(C[NH2+]CCC3CC3)C2)CC1 ZINC001275278869 931722274 /nfs/dbraw/zinc/72/22/74/931722274.db2.gz KLYWPXGJDTZKAR-UHFFFAOYSA-N 2 0 293.455 1.613 10 0 CDAERP CC[NH2+][C@@H](C)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001275434027 931789788 /nfs/dbraw/zinc/78/97/88/931789788.db2.gz QWTMPOOFEWXYJC-RYUDHWBXSA-N 2 0 253.390 1.118 10 0 CDAERP COCCN(CC[NH+](C)C)C(=O)[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001411779668 932015705 /nfs/dbraw/zinc/01/57/05/932015705.db2.gz ACDTVSSHIKOECC-OAHLLOKOSA-N 2 0 299.459 1.143 10 0 CDAERP CC(C)[NH2+]CCCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001276070434 932489068 /nfs/dbraw/zinc/48/90/68/932489068.db2.gz GGQAFLYNAQANGS-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP C[NH+](C)C1(C(=O)NC[C@]2([NH+](C)C)CCSC2)CCCC1 ZINC001412627853 932572673 /nfs/dbraw/zinc/57/26/73/932572673.db2.gz LWBNOYVMBHCKRJ-CQSZACIVSA-N 2 0 299.484 1.414 10 0 CDAERP C[C@H]1[C@H](C)OC[C@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000924630807 932806000 /nfs/dbraw/zinc/80/60/00/932806000.db2.gz AYDNKPCHNMIURG-KCQAQPDRSA-N 2 0 269.433 1.025 10 0 CDAERP O=C1OCCN1CCC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925480181 932891996 /nfs/dbraw/zinc/89/19/96/932891996.db2.gz UWWHPZUCLOKXNZ-HUUCEWRRSA-N 2 0 295.427 1.587 10 0 CDAERP C[NH+](C)[C@@]1(CN[C@H]2CC[NH2+]C23CCCC3)CCSC1 ZINC000925531402 932900044 /nfs/dbraw/zinc/90/00/44/932900044.db2.gz PUHANUXYTVELKL-UONOGXRCSA-N 2 0 283.485 1.688 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925548504 932903373 /nfs/dbraw/zinc/90/33/73/932903373.db2.gz CNLOMINQMMYTNO-FOLNQXHWSA-N 2 0 263.429 1.447 10 0 CDAERP Cc1nccn1C[C@H](C)C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925594995 932911722 /nfs/dbraw/zinc/91/17/22/932911722.db2.gz FHWFWRCTCVYHDP-KWCYVHTRSA-N 2 0 262.401 1.687 10 0 CDAERP CCNC(=O)C(C)(C)C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925608390 932914504 /nfs/dbraw/zinc/91/45/04/932914504.db2.gz XCHGMEQDNXITLT-WDEREUQCSA-N 2 0 253.390 1.008 10 0 CDAERP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925700198 932928168 /nfs/dbraw/zinc/92/81/68/932928168.db2.gz NKSNFHWAWUUOER-IHRRRGAJSA-N 3 0 251.418 1.626 10 0 CDAERP C[C@H](CS(C)(=O)=O)[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925807495 932940407 /nfs/dbraw/zinc/94/04/07/932940407.db2.gz KASAINALNOERGK-CYBMUJFWSA-N 2 0 290.473 1.569 10 0 CDAERP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC[C@H](N(C)C)C(F)(F)F ZINC000925837077 932944618 /nfs/dbraw/zinc/94/46/18/932944618.db2.gz NLWOULWPZIKFBD-UTUOFQBUSA-N 2 0 281.366 1.847 10 0 CDAERP C[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1ccc(F)cn1 ZINC000925844836 932945896 /nfs/dbraw/zinc/94/58/96/932945896.db2.gz MUUHGQIYJUZHCU-AWEZNQCLSA-N 2 0 294.418 1.947 10 0 CDAERP C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)O[C@@H]1CCOC1 ZINC000929277870 933220966 /nfs/dbraw/zinc/22/09/66/933220966.db2.gz WWPZPMVMFXJYLL-MRXNPFEDSA-N 2 0 282.428 1.600 10 0 CDAERP C[N@@H+]1CCC[C@]2(CCN(Cc3ccc(N)nc3)C2)C1 ZINC000930577602 933405971 /nfs/dbraw/zinc/40/59/71/933405971.db2.gz UNBHCHXFWICDSG-HNNXBMFYSA-N 2 0 260.385 1.582 10 0 CDAERP CO[C@]1(C[NH2+]CC2CC[NH+](C)CC2)CCSC1 ZINC000719312581 934847923 /nfs/dbraw/zinc/84/79/23/934847923.db2.gz GLFWHCDFUUBNKJ-ZDUSSCGKSA-N 2 0 258.431 1.440 10 0 CDAERP CCN(C(=O)C1CC[NH+](CC(C)C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC001413260273 935969275 /nfs/dbraw/zinc/96/92/75/935969275.db2.gz ZMWJILYEXNXUTD-MRXNPFEDSA-N 2 0 295.471 1.907 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC001413337621 935992614 /nfs/dbraw/zinc/99/26/14/935992614.db2.gz SPHASANVEPMALJ-GOEBONIOSA-N 2 0 295.471 1.812 10 0 CDAERP CC(C)=CC[NH2+]CC[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001568671035 1169424198 /nfs/dbraw/zinc/42/41/98/1169424198.db2.gz JUYNEYQXZDVSKL-CQSZACIVSA-N 2 0 281.444 1.779 10 0 CDAERP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC[S@](C)=O ZINC000400581291 940852972 /nfs/dbraw/zinc/85/29/72/940852972.db2.gz ZMFXQOXYXUROCZ-KKVAFCGZSA-N 2 0 294.464 1.865 10 0 CDAERP C[NH+](C)C1(CN[C@@H]2C[C@@H]([NH3+])C23CCC3)CCCC1 ZINC000405200371 940974760 /nfs/dbraw/zinc/97/47/60/940974760.db2.gz AGBDGSMXPFNDSN-CHWSQXEVSA-N 2 0 251.418 1.720 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001362052292 970820949 /nfs/dbraw/zinc/82/09/49/970820949.db2.gz HBCSBXPMTKLIGF-RBSFLKMASA-N 2 0 283.460 1.811 10 0 CDAERP CCO[C@H](C[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1)C1CC1 ZINC001473844243 970865188 /nfs/dbraw/zinc/86/51/88/970865188.db2.gz XZMIODLPAITGIA-KFWWJZLASA-N 2 0 252.402 1.685 10 0 CDAERP Cn1cc([C@@H]2CCCN(CCC[NH+]3CCCCC3)C2)nn1 ZINC001473875871 970873517 /nfs/dbraw/zinc/87/35/17/970873517.db2.gz BNWIQXTULFSXFA-OAHLLOKOSA-N 2 0 291.443 1.871 10 0 CDAERP CCC[NH2+]CC[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001280072273 942417314 /nfs/dbraw/zinc/41/73/14/942417314.db2.gz CQBFFGQAJVQBAF-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCCF)CCC1 ZINC001280483124 942452718 /nfs/dbraw/zinc/45/27/18/942452718.db2.gz MWUFDWWOYJONHU-CQSZACIVSA-N 2 0 299.434 1.849 10 0 CDAERP CC(C)[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001281713963 942613248 /nfs/dbraw/zinc/61/32/48/942613248.db2.gz KRKBVISSKKEHBF-GXTWGEPZSA-N 2 0 267.417 1.221 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)CCCF ZINC001282496026 942722915 /nfs/dbraw/zinc/72/29/15/942722915.db2.gz HPUJITMRHKVCBP-LBPRGKRZSA-N 2 0 261.385 1.123 10 0 CDAERP CCOCC[N@@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001282675871 942737688 /nfs/dbraw/zinc/73/76/88/942737688.db2.gz PMNGAMKNVJQWSL-OAHLLOKOSA-N 2 0 299.459 1.335 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)(C)C ZINC001284633309 943230096 /nfs/dbraw/zinc/23/00/96/943230096.db2.gz WHXZNRBGZTYHAV-CHWSQXEVSA-N 2 0 269.433 1.469 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)[C@@H]1CCC[NH+](C(C)C)C1 ZINC001362175857 970979636 /nfs/dbraw/zinc/97/96/36/970979636.db2.gz GMRZXOWJMHNYKG-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC001362221700 971033488 /nfs/dbraw/zinc/03/34/88/971033488.db2.gz NZADMOJFQQUJLP-CQSZACIVSA-N 2 0 295.427 1.758 10 0 CDAERP CC/C=C\CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001263827944 943991330 /nfs/dbraw/zinc/99/13/30/943991330.db2.gz UTHAHFPCIVCXQJ-IPUTUCIWSA-N 2 0 293.455 1.921 10 0 CDAERP CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001265088302 944225871 /nfs/dbraw/zinc/22/58/71/944225871.db2.gz BJSCPCJSPLMETC-STQMWFEESA-N 2 0 255.406 1.317 10 0 CDAERP CCCC[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001265777230 944505716 /nfs/dbraw/zinc/50/57/16/944505716.db2.gz IOWFNKQKPOAQKQ-MELADBBJSA-N 2 0 269.433 1.611 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@@H](C[NH2+]CCF)C1 ZINC001265983619 944613267 /nfs/dbraw/zinc/61/32/67/944613267.db2.gz WYFDCUXTFBZOTN-QWHCGFSZSA-N 2 0 291.386 1.074 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)CC1CC1 ZINC001266028036 944640002 /nfs/dbraw/zinc/64/00/02/944640002.db2.gz GULTYPWOTGWENT-CQSZACIVSA-N 2 0 267.417 1.319 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266029137 944643473 /nfs/dbraw/zinc/64/34/73/944643473.db2.gz KYOQKZKHSJWCCR-LSDHHAIUSA-N 2 0 283.460 1.811 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C2([NH+](C)C)CCCC2)C1 ZINC001362390389 971221217 /nfs/dbraw/zinc/22/12/17/971221217.db2.gz SZFDFOKAEMJPQP-KBPBESRZSA-N 2 0 281.444 1.850 10 0 CDAERP CC(C)[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001479522849 971335499 /nfs/dbraw/zinc/33/54/99/971335499.db2.gz MIAXRZYBWPVSJA-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CCC[N@H+](C)CCN(C(=O)C[NH+]1CCCC1)C(C)C ZINC001278930216 948274524 /nfs/dbraw/zinc/27/45/24/948274524.db2.gz YWJBXHWKVRCTEK-UHFFFAOYSA-N 2 0 269.433 1.661 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001278945570 948342048 /nfs/dbraw/zinc/34/20/48/948342048.db2.gz LNEJZJNQKFVKJP-NWDGAFQWSA-N 2 0 255.406 1.221 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N[C@@H](C[NH2+]CCF)C(C)(C)C)C1 ZINC001279022445 948610271 /nfs/dbraw/zinc/61/02/71/948610271.db2.gz VHOROJCVLWWKET-OLZOCXBDSA-N 2 0 287.423 1.418 10 0 CDAERP CC(C)[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001569038406 1169606525 /nfs/dbraw/zinc/60/65/25/1169606525.db2.gz LQEJAYSMAGHILT-ZIAGYGMSSA-N 2 0 269.433 1.610 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCCF)C1 ZINC001480152235 971603919 /nfs/dbraw/zinc/60/39/19/971603919.db2.gz CAEPSCBLUYYJNC-AVGNSLFASA-N 2 0 271.380 1.067 10 0 CDAERP CC(C)C[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001569073467 1169630980 /nfs/dbraw/zinc/63/09/80/1169630980.db2.gz VPTWRVVRWRBJTL-ZDUSSCGKSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CCCF ZINC001480462837 971741529 /nfs/dbraw/zinc/74/15/29/971741529.db2.gz YQFBRKJZJHQAKS-ZDUSSCGKSA-N 2 0 287.423 1.705 10 0 CDAERP CCCCC[NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001480623116 971812905 /nfs/dbraw/zinc/81/29/05/971812905.db2.gz PREHKIVIYPBLTB-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC(C)C)C1 ZINC001480646776 971825273 /nfs/dbraw/zinc/82/52/73/971825273.db2.gz WDDMNHGZSJVHRR-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC001363495296 953380882 /nfs/dbraw/zinc/38/08/82/953380882.db2.gz GUTLHWXBCGCNDX-CWRNSKLLSA-N 2 0 281.444 1.374 10 0 CDAERP C[C@H](CN1CCOCC1)C[N@@H+]1C[C@H](N2CCCC2)C[C@@H]1C ZINC001363864158 953937750 /nfs/dbraw/zinc/93/77/50/953937750.db2.gz GUVDHRCDCKLVKY-IXDOHACOSA-N 2 0 295.471 1.513 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CC[C@H]([NH+]3CCC3)C2)C1 ZINC001364087977 954187758 /nfs/dbraw/zinc/18/77/58/954187758.db2.gz OBOMEIFGXTXJFI-KFWWJZLASA-N 2 0 279.428 1.413 10 0 CDAERP O[C@@H]1CC[N@@H+](C2CC[NH+](C[C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC001363265625 972033015 /nfs/dbraw/zinc/03/30/15/972033015.db2.gz AWTJQIRQHNUDIT-IMJJTQAJSA-N 2 0 282.428 1.069 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@@H]([N@@H+](C)CC)C1 ZINC001364608132 954885255 /nfs/dbraw/zinc/88/52/55/954885255.db2.gz PAVYPECCSXHWPY-ZIAGYGMSSA-N 2 0 284.448 1.452 10 0 CDAERP C([NH2+][C@@H]1C[C@@H]2COC[C@H]12)C1CC[NH+](C2CCOCC2)CC1 ZINC001364722517 955097332 /nfs/dbraw/zinc/09/73/32/955097332.db2.gz DDUYLZCGCUEWOM-HYVNUMGLSA-N 2 0 294.439 1.502 10 0 CDAERP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)C[C@]12CCC[C@H]1OCC2 ZINC001363320232 972083726 /nfs/dbraw/zinc/08/37/26/972083726.db2.gz YHBNGMAKNPFQPW-ARFHVFGLSA-N 2 0 284.444 1.579 10 0 CDAERP CC[C@@H](F)C[N@H+]1C[C@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@H]2C1 ZINC001421575533 955414521 /nfs/dbraw/zinc/41/45/21/955414521.db2.gz UQJIYBVFIZYWKI-QLFBSQMISA-N 2 0 299.434 1.465 10 0 CDAERP CC(C)[NH2+]CC[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001421588479 955415601 /nfs/dbraw/zinc/41/56/01/955415601.db2.gz UOAQJBVQLLEODA-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCOCC12CCCC2 ZINC001363337812 972096329 /nfs/dbraw/zinc/09/63/29/972096329.db2.gz YGCFBZPBXLLIKB-CABCVRRESA-N 2 0 284.444 1.626 10 0 CDAERP C[C@H](F)CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CCC1 ZINC001421754842 955525795 /nfs/dbraw/zinc/52/57/95/955525795.db2.gz UDDNBLVIYIFMFD-KBPBESRZSA-N 2 0 299.434 1.847 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)CC[NH2+]CC1CC(C)(C)C1 ZINC001493769822 972112151 /nfs/dbraw/zinc/11/21/51/972112151.db2.gz SLIZYXMUVXZPPU-UHFFFAOYSA-N 2 0 283.460 1.812 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001329053789 955656047 /nfs/dbraw/zinc/65/60/47/955656047.db2.gz IOEYDMAWPCDAFK-KBPBESRZSA-N 2 0 281.444 1.920 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NCCC[C@@H]2CCC[NH+]2CCF)C1 ZINC001492178955 955667734 /nfs/dbraw/zinc/66/77/34/955667734.db2.gz SRXBXKZHVMRPHM-ZIAGYGMSSA-N 2 0 285.407 1.268 10 0 CDAERP CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001422004041 955695970 /nfs/dbraw/zinc/69/59/70/955695970.db2.gz NTAWLMHRIIQZDQ-HUUCEWRRSA-N 2 0 283.460 2.000 10 0 CDAERP CC[N@@H+]1Cc2ccc(CNC(=O)C[NH+](C)C(C)C)cc2C1 ZINC001422012716 955700711 /nfs/dbraw/zinc/70/07/11/955700711.db2.gz RZBCDGPGVGPVIA-UHFFFAOYSA-N 2 0 289.423 1.979 10 0 CDAERP CC[NH2+][C@H](CNC(=O)C[N@H+](C)C(C)C)c1ccccc1 ZINC001493903592 972134629 /nfs/dbraw/zinc/13/46/29/972134629.db2.gz AKIJSQHSFOKVHG-OAHLLOKOSA-N 2 0 277.412 1.794 10 0 CDAERP CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001422240561 955882937 /nfs/dbraw/zinc/88/29/37/955882937.db2.gz GJJHIKRUJMKXLC-CABCVRRESA-N 2 0 281.444 1.519 10 0 CDAERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]C/C=C/Cl ZINC001422448849 956013680 /nfs/dbraw/zinc/01/36/80/956013680.db2.gz YAHOIQQVXMNDTE-CYLBZQBVSA-N 2 0 273.808 1.318 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH+](C)CCCF ZINC001422537312 956130969 /nfs/dbraw/zinc/13/09/69/956130969.db2.gz ODLWKWMKEOZHPP-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001316845567 956255430 /nfs/dbraw/zinc/25/54/30/956255430.db2.gz KLGRKIRGHNBKFF-AWEZNQCLSA-N 2 0 283.460 1.812 10 0 CDAERP CC[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C ZINC001365729750 956322838 /nfs/dbraw/zinc/32/28/38/956322838.db2.gz MJXDEJZHNWYLBH-KBPBESRZSA-N 2 0 279.428 1.176 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@]2(C1)C[NH+](CCC)CCO2 ZINC001422772817 956333587 /nfs/dbraw/zinc/33/35/87/956333587.db2.gz KJIKDPUHMHHURF-MRXNPFEDSA-N 2 0 297.443 1.042 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)C1 ZINC001363458024 972182485 /nfs/dbraw/zinc/18/24/85/972182485.db2.gz JJSHXNCQFMRDEM-HRCADAONSA-N 2 0 293.455 1.850 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001422907990 956443996 /nfs/dbraw/zinc/44/39/96/956443996.db2.gz ZAVYEGJFZYIKNS-KJWHEZOQSA-N 2 0 299.434 1.559 10 0 CDAERP CC(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001423007334 956503393 /nfs/dbraw/zinc/50/33/93/956503393.db2.gz UOKMIOQJISFPQR-YUELXQCFSA-N 2 0 281.444 1.467 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001366077715 956547674 /nfs/dbraw/zinc/54/76/74/956547674.db2.gz QOUWCPUGZSMMHS-HNNXBMFYSA-N 2 0 293.455 1.663 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001366090061 956553277 /nfs/dbraw/zinc/55/32/77/956553277.db2.gz CFXWPNAIZMJLQZ-VGWMRTNUSA-N 2 0 295.471 1.953 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001366091708 956557836 /nfs/dbraw/zinc/55/78/36/956557836.db2.gz UOQDBCQUEMVFOB-UONOGXRCSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001366116626 956580041 /nfs/dbraw/zinc/58/00/41/956580041.db2.gz XDUHYHWGNQKCKU-IHRRRGAJSA-N 2 0 281.444 1.754 10 0 CDAERP C[C@H](CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCC1CC1 ZINC001423099559 956581927 /nfs/dbraw/zinc/58/19/27/956581927.db2.gz ARBCINKXVXOHLF-HIFRSBDPSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001366126820 956585784 /nfs/dbraw/zinc/58/57/84/956585784.db2.gz XLPJULWCTNXZLR-AAVRWANBSA-N 2 0 287.423 1.558 10 0 CDAERP CCCC[N@@H+]1CCC[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001366188504 956629675 /nfs/dbraw/zinc/62/96/75/956629675.db2.gz VVBPRVYFUSNEMD-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H]([NH2+]C1(CNC(=O)CC[NH+](C)C)CC1)c1ccccc1 ZINC001423273518 956699443 /nfs/dbraw/zinc/69/94/43/956699443.db2.gz JMCQGKKDPYUAFQ-AWEZNQCLSA-N 2 0 289.423 1.938 10 0 CDAERP COCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001494294030 972206376 /nfs/dbraw/zinc/20/63/76/972206376.db2.gz LXVOUTKRTBZBTQ-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001330977407 956738758 /nfs/dbraw/zinc/73/87/58/956738758.db2.gz RETVGXQMGPXZAY-LSDHHAIUSA-N 2 0 283.460 1.859 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001366382616 956784146 /nfs/dbraw/zinc/78/41/46/956784146.db2.gz QWVLXHRRHFXVJI-STQMWFEESA-N 2 0 285.407 1.409 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001423627101 956910196 /nfs/dbraw/zinc/91/01/96/956910196.db2.gz JLYLXCGBBHAFPY-ZBFHGGJFSA-N 2 0 283.460 1.812 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001316823912 957048350 /nfs/dbraw/zinc/04/83/50/957048350.db2.gz KXTKQPRZFOSACW-GDBMZVCRSA-N 2 0 295.471 1.812 10 0 CDAERP CC[N@H+](CCNC(=O)CC[NH+](C)C)C[C@@H]1CC(C)(C)CO1 ZINC001366628404 957060750 /nfs/dbraw/zinc/06/07/50/957060750.db2.gz AJEFQLJKOHXMEU-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@H](C)C[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001366673913 957103409 /nfs/dbraw/zinc/10/34/09/957103409.db2.gz CRHMGNOSSVABOY-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@H](F)C[N@H+](C)CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001424324138 957203397 /nfs/dbraw/zinc/20/33/97/957203397.db2.gz BMHPSQXHTQNARA-AWEZNQCLSA-N 2 0 299.434 1.611 10 0 CDAERP CCCC[NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001317253242 957382704 /nfs/dbraw/zinc/38/27/04/957382704.db2.gz CNPFGSGTPUHAHR-ZDUSSCGKSA-N 2 0 269.433 1.755 10 0 CDAERP [NH2+]=C(NCCC[NH+]1CCCC1)NC[C@@H]1CCCS1 ZINC001332048375 957414348 /nfs/dbraw/zinc/41/43/48/957414348.db2.gz NKNLKJCPPHVBTK-LBPRGKRZSA-N 2 0 270.446 1.482 10 0 CDAERP Fc1cccc2c1CC[C@@H]2N1CC[NH2+]CC[NH2+]CC1 ZINC001332363742 957533283 /nfs/dbraw/zinc/53/32/83/957533283.db2.gz KNVYMIDAFVWYGB-HNNXBMFYSA-N 2 0 263.360 1.308 10 0 CDAERP CC(C)C[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001317624110 957606334 /nfs/dbraw/zinc/60/63/34/957606334.db2.gz YHIJTOMSBLIYOE-KBPBESRZSA-N 2 0 269.433 1.421 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@H](C[NH2+]CCF)C(C)(C)C)CCC1 ZINC001332804381 957851836 /nfs/dbraw/zinc/85/18/36/957851836.db2.gz CEFONPPEUSYFTN-GFCCVEGCSA-N 2 0 287.423 1.561 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](C(C)C)C1)[NH+](CC)CC ZINC001318275560 958010657 /nfs/dbraw/zinc/01/06/57/958010657.db2.gz BBRZZZVENJRULP-KBPBESRZSA-N 2 0 269.433 1.706 10 0 CDAERP CCOCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001318374820 958064918 /nfs/dbraw/zinc/06/49/18/958064918.db2.gz WVOUIXAUIFEDRI-OAHLLOKOSA-N 2 0 297.443 1.089 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]CCOC)C1 ZINC001333151691 958109984 /nfs/dbraw/zinc/10/99/84/958109984.db2.gz BIHDYKBPKSLYAL-YMAMQOFZSA-N 2 0 297.443 1.086 10 0 CDAERP CC[C@@H](C)C[NH2+][C@@H](CC)CNC(=O)C[NH+]1CCCC1 ZINC001318604443 958197670 /nfs/dbraw/zinc/19/76/70/958197670.db2.gz UASFXDBLSCHUBJ-KGLIPLIRSA-N 2 0 269.433 1.613 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@H](CC[NH2+]CC2CC2)C1 ZINC001318850439 958281250 /nfs/dbraw/zinc/28/12/50/958281250.db2.gz OMSUEBVVHWCVJV-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccsc1)[NH+](C)C ZINC001367767108 958317279 /nfs/dbraw/zinc/31/72/79/958317279.db2.gz ZWSJFUWVBLFWNK-GXTWGEPZSA-N 2 0 297.468 1.929 10 0 CDAERP Cc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001367772301 958321824 /nfs/dbraw/zinc/32/18/24/958321824.db2.gz RPKWOFFXSJHHGA-GOEBONIOSA-N 2 0 289.423 1.541 10 0 CDAERP CC(C)OCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001367812997 958393313 /nfs/dbraw/zinc/39/33/13/958393313.db2.gz CYILLLNZXOWENF-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]CCC1CCCC1 ZINC001319284806 958475935 /nfs/dbraw/zinc/47/59/35/958475935.db2.gz WYFFMBSWRHNJAZ-GOEBONIOSA-N 2 0 295.471 1.860 10 0 CDAERP CC[C@@H](C)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001368000845 958570293 /nfs/dbraw/zinc/57/02/93/958570293.db2.gz AUPZXIBGPSKXTB-MGPQQGTHSA-N 2 0 281.444 1.611 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CCCF)CC2 ZINC001368423961 958831910 /nfs/dbraw/zinc/83/19/10/958831910.db2.gz NNTXBOSCLYWBEJ-UHFFFAOYSA-N 2 0 299.434 1.612 10 0 CDAERP CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CCCC[NH+](C)C ZINC001320171118 958985889 /nfs/dbraw/zinc/98/58/89/958985889.db2.gz KPUSTRBDZFZAPV-ZIAGYGMSSA-N 2 0 269.433 1.613 10 0 CDAERP C[C@H](F)CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001368644884 959010715 /nfs/dbraw/zinc/01/07/15/959010715.db2.gz UYCXCUBEXBOLPV-SOUVJXGZSA-N 2 0 299.434 1.705 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[N@@H+]1CC ZINC001368699747 959056982 /nfs/dbraw/zinc/05/69/82/959056982.db2.gz JCSCIDCFELDREW-UONOGXRCSA-N 2 0 283.460 1.953 10 0 CDAERP Cc1nocc1C[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001368894440 959230266 /nfs/dbraw/zinc/23/02/66/959230266.db2.gz NNBXMFTTZIDEDX-VXGBXAGGSA-N 2 0 296.415 1.306 10 0 CDAERP C[C@@H](CC[NH2+]CC1CCC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001320607054 959272522 /nfs/dbraw/zinc/27/25/22/959272522.db2.gz IJHBGBSQMNDDHJ-DZGCQCFKSA-N 2 0 281.444 1.613 10 0 CDAERP CCN(CC[NH2+]CC1CC(C)C1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001320736759 959360342 /nfs/dbraw/zinc/36/03/42/959360342.db2.gz FYOKQFDSBKNCQE-GYTBAZASSA-N 2 0 295.471 1.811 10 0 CDAERP CCN(CC[NH2+]CC1CCCC1)C(=O)C1(C[NH+](C)C)CC1 ZINC001320826427 959412877 /nfs/dbraw/zinc/41/28/77/959412877.db2.gz ISMMMJUWDDHBKL-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001369126901 959475978 /nfs/dbraw/zinc/47/59/78/959475978.db2.gz WCUZMKNYTJXYSM-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP CCC(CC)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001369239030 959565967 /nfs/dbraw/zinc/56/59/67/959565967.db2.gz PYKRVLVCNVRTFA-ZFWWWQNUSA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@H](C(=O)NC/C=C\C[NH2+]C[C@@H]1CCCOC1)[NH+](C)C ZINC001321107898 959596466 /nfs/dbraw/zinc/59/64/66/959596466.db2.gz BZOOHDBRVKBAQC-RWCKICOTSA-N 2 0 297.443 1.015 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CC1CCC1 ZINC001321199419 959650656 /nfs/dbraw/zinc/65/06/56/959650656.db2.gz HNBZTTCUQFRUTJ-JZIMQPMSSA-N 2 0 279.428 1.533 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]C/C=C\Cl)C(C)(C)C1 ZINC001369449428 959690127 /nfs/dbraw/zinc/69/01/27/959690127.db2.gz SIEZEFFQIJUSNE-XHSUHYBKSA-N 2 0 299.846 1.660 10 0 CDAERP CC(C)N(CC[N@H+](C)CCCF)C(=O)C12CC[NH+](CC1)C2 ZINC001369535806 959746752 /nfs/dbraw/zinc/74/67/52/959746752.db2.gz YGYFOCUAYHINSV-UHFFFAOYSA-N 2 0 299.434 1.611 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+]CC2CCC2)C1 ZINC001321391218 959765451 /nfs/dbraw/zinc/76/54/51/959765451.db2.gz BUJPYWYGVQMOBS-SFAKSCPVSA-N 2 0 265.401 1.000 10 0 CDAERP Cc1ncsc1CC[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C ZINC001321968623 960038197 /nfs/dbraw/zinc/03/81/97/960038197.db2.gz LWNPMZKEBISVNU-NSHDSACASA-N 2 0 298.456 1.040 10 0 CDAERP C[C@@H](C[NH2+]CC1CC(C)C1)NC(=O)CC[NH+](C)C ZINC001321968117 960039572 /nfs/dbraw/zinc/03/95/72/960039572.db2.gz FDUFPIYKXZFKLI-CPCZMJQVSA-N 2 0 255.406 1.079 10 0 CDAERP CC[C@H](C(=O)N1CC[C@H]([NH2+]C/C=C/Cl)C1)[NH+](C)C ZINC001370362701 960070385 /nfs/dbraw/zinc/07/03/85/960070385.db2.gz KKRAEQZHGRZUND-GAEWNOSXSA-N 2 0 273.808 1.270 10 0 CDAERP O=C(N1CC[C@H]([NH2+]C/C=C\Cl)C1)C12CC[NH+](CC1)C2 ZINC001370405913 960082988 /nfs/dbraw/zinc/08/29/88/960082988.db2.gz SDXQMHUAEGGFGZ-RSUUKKISSA-N 2 0 283.803 1.025 10 0 CDAERP COC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001370738697 960191428 /nfs/dbraw/zinc/19/14/28/960191428.db2.gz YORUQSHXWHBEAW-KFWWJZLASA-N 2 0 297.443 1.134 10 0 CDAERP CC(C)C[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001322836273 960337613 /nfs/dbraw/zinc/33/76/13/960337613.db2.gz PIYFNCGWZRAKSA-CYBMUJFWSA-N 2 0 255.406 1.032 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001433663008 960491508 /nfs/dbraw/zinc/49/15/08/960491508.db2.gz CSLKIXATYMSJNZ-DZGCQCFKSA-N 2 0 281.444 1.659 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+]2CC[C@@H](F)C2)[C@H](C)C1 ZINC001433724392 960560510 /nfs/dbraw/zinc/56/05/10/960560510.db2.gz IBWPPXVAGYSNMY-KFWWJZLASA-N 2 0 299.434 1.609 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC1C[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC001419008220 961257494 /nfs/dbraw/zinc/25/74/94/961257494.db2.gz LYIXZSFPSGEAHZ-QLFBSQMISA-N 2 0 293.455 1.563 10 0 CDAERP Cc1oncc1C[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001419432864 961696340 /nfs/dbraw/zinc/69/63/40/961696340.db2.gz QKJSMYJONXNHBL-HDJSIYSDSA-N 2 0 294.399 1.060 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+](CCC2CC2)C1 ZINC001419547310 961807732 /nfs/dbraw/zinc/80/77/32/961807732.db2.gz PJIPSBSATQZFSE-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001436946734 962516214 /nfs/dbraw/zinc/51/62/14/962516214.db2.gz UGWWHDWWSSLLLI-LSDHHAIUSA-N 2 0 281.444 1.659 10 0 CDAERP CC[NH2+][C@@H]1CCC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001437326867 962804070 /nfs/dbraw/zinc/80/40/70/962804070.db2.gz IVSNFZIACKFDFM-ZIAGYGMSSA-N 2 0 297.443 1.134 10 0 CDAERP CC[C@@H](F)C[N@H+](CC)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001420401317 962860902 /nfs/dbraw/zinc/86/09/02/962860902.db2.gz VMSVCODWMCXNGQ-CYBMUJFWSA-N 2 0 287.423 1.657 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1C[C@H](F)CC ZINC001437692477 963125125 /nfs/dbraw/zinc/12/51/25/963125125.db2.gz YGUBLBWWWBRLPZ-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@@H](CN(C)Cc1ccns1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001420660270 963166378 /nfs/dbraw/zinc/16/63/78/963166378.db2.gz MBYCGFUNKDXWFE-RYUDHWBXSA-N 2 0 296.440 1.031 10 0 CDAERP CC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001437939239 963249647 /nfs/dbraw/zinc/24/96/47/963249647.db2.gz TZPOMRLLWOHXCD-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC[C@H]1CC[NH+](CC2CC2)C1 ZINC001437956813 963259996 /nfs/dbraw/zinc/25/99/96/963259996.db2.gz HDZISBDXWPYFJU-HNNXBMFYSA-N 2 0 281.444 1.565 10 0 CDAERP CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[NH+](C)C)C2 ZINC001421176807 963485361 /nfs/dbraw/zinc/48/53/61/963485361.db2.gz BJQHKXYCSMMKHR-INIZCTEOSA-N 2 0 281.444 1.663 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CCCCC1 ZINC001438758533 963542036 /nfs/dbraw/zinc/54/20/36/963542036.db2.gz YLSUPGSPSFLEKH-HNNXBMFYSA-N 2 0 293.455 1.757 10 0 CDAERP CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C(C)C ZINC001438832410 963565340 /nfs/dbraw/zinc/56/53/40/963565340.db2.gz UCKURFLSMSUKMJ-GJZGRUSLSA-N 2 0 283.460 2.000 10 0 CDAERP CC[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CC1CC1 ZINC001421426695 963603258 /nfs/dbraw/zinc/60/32/58/963603258.db2.gz SXWAHULWXAPZAV-GJZGRUSLSA-N 2 0 279.428 1.223 10 0 CDAERP CC(C)C[N@@H+]1CC[C@](C)(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001439874354 963887443 /nfs/dbraw/zinc/88/74/43/963887443.db2.gz XAGXVXNCJKWRBE-ZBFHGGJFSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H]1[C@H](C(=O)NC[C@]2(C)CCC[NH+](CCF)C2)CC[N@@H+]1C ZINC001439944515 963900707 /nfs/dbraw/zinc/90/07/07/963900707.db2.gz ZKRHUWUGPDSZDV-FMKPAKJESA-N 2 0 299.434 1.514 10 0 CDAERP C[C@H]([NH2+]C/C=C\Cl)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001440129064 963931576 /nfs/dbraw/zinc/93/15/76/963931576.db2.gz UXQIYZNLCGVHIY-PSVOHZHUSA-N 2 0 299.846 1.661 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001440241513 963952929 /nfs/dbraw/zinc/95/29/29/963952929.db2.gz JPCVIRHZNYNAOV-QWHCGFSZSA-N 2 0 273.396 1.219 10 0 CDAERP CC[NH+]1CCC2(C[C@H](C)N(C(=O)CC[NH+](C)C)C2)CC1 ZINC001440416537 964027986 /nfs/dbraw/zinc/02/79/86/964027986.db2.gz MENTUGNHMGSRKZ-AWEZNQCLSA-N 2 0 281.444 1.661 10 0 CDAERP C[C@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]Cc1cncs1 ZINC001440815073 964195923 /nfs/dbraw/zinc/19/59/23/964195923.db2.gz FQJROMMMHDLWDC-RYUDHWBXSA-N 2 0 298.456 1.468 10 0 CDAERP CC(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001440833703 964202786 /nfs/dbraw/zinc/20/27/86/964202786.db2.gz UCDJPIDGIYPRFA-ZIAGYGMSSA-N 2 0 283.460 2.000 10 0 CDAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+](C)CCC1CC1 ZINC001440974270 964300740 /nfs/dbraw/zinc/30/07/40/964300740.db2.gz TXPXVJSXCFGCCK-KGLIPLIRSA-N 2 0 281.444 1.565 10 0 CDAERP CCCC[C@@H](C[NH2+]CC(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001441137960 964381841 /nfs/dbraw/zinc/38/18/41/964381841.db2.gz POMJBHBKWMJSKI-GJZGRUSLSA-N 2 0 283.460 1.859 10 0 CDAERP CO[C@H](C)C[N@H+](C)C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001441288116 964452099 /nfs/dbraw/zinc/45/20/99/964452099.db2.gz BKRVUAWMRJWTOJ-HUUCEWRRSA-N 2 0 299.459 1.143 10 0 CDAERP CN(C(=O)[C@H]1CCCC[N@@H+]1C)[C@H](C[NH2+]CC1CC1)C1CC1 ZINC001441445108 964514843 /nfs/dbraw/zinc/51/48/43/964514843.db2.gz WNWCWQSCNJQLOM-HZPDHXFCSA-N 2 0 293.455 1.707 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CC2)C1 ZINC001441483889 964540157 /nfs/dbraw/zinc/54/01/57/964540157.db2.gz BREWXRFYKZDXQI-OWCLPIDISA-N 2 0 293.455 1.898 10 0 CDAERP C[C@H](c1ccc(F)cc1)[N@H+](C)CCNC(=O)CC[NH+](C)C ZINC001442503767 965092516 /nfs/dbraw/zinc/09/25/16/965092516.db2.gz PAHDHMSCLBPCRK-CYBMUJFWSA-N 2 0 295.402 1.886 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001569401289 1169857174 /nfs/dbraw/zinc/85/71/74/1169857174.db2.gz MMWOYXHCFKWROZ-CHWSQXEVSA-N 2 0 267.417 1.365 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+](Cc2ccns2)C1 ZINC001442885123 965256681 /nfs/dbraw/zinc/25/66/81/965256681.db2.gz DNAFEEFFFVEKCD-LBPRGKRZSA-N 2 0 296.440 1.033 10 0 CDAERP C[NH+](C)CCC(=O)NC1C[NH+](CCC2CCCCC2)C1 ZINC001443511239 965498502 /nfs/dbraw/zinc/49/85/02/965498502.db2.gz SGMNOQYILPRMNV-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CN(C)Cc1ccc(C(=O)NCC[N@H+](C)C2CCCC2)o1 ZINC001443781291 965602738 /nfs/dbraw/zinc/60/27/38/965602738.db2.gz ZPSRCEDCSUBZSC-UHFFFAOYSA-N 2 0 293.411 1.945 10 0 CDAERP C[N@H+](CC(=O)NCC1([NH2+]CCCF)CC1)CC(C)(C)C ZINC001569418922 1169873419 /nfs/dbraw/zinc/87/34/19/1169873419.db2.gz MBLRZKSHGIIDNT-UHFFFAOYSA-N 2 0 287.423 1.562 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccsc1)[NH+](C)C ZINC001444396656 965818671 /nfs/dbraw/zinc/81/86/71/965818671.db2.gz ACSDADFFXCIZBI-GXTWGEPZSA-N 2 0 297.468 1.930 10 0 CDAERP CC(C)[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]C[C@@H]1CCCOC1 ZINC001444904406 965995822 /nfs/dbraw/zinc/99/58/22/965995822.db2.gz OUNRFUYSQHDUGI-LSDHHAIUSA-N 2 0 299.459 1.095 10 0 CDAERP CC[C@H](F)C[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001446169387 966475151 /nfs/dbraw/zinc/47/51/51/966475151.db2.gz SKIOITRNHSTUQT-KBPBESRZSA-N 2 0 297.418 1.315 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001446560070 966585480 /nfs/dbraw/zinc/58/54/80/966585480.db2.gz LMVNDWNZTRKADL-GDBMZVCRSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@H](F)CC[NH+]1CC([C@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001448303584 967066593 /nfs/dbraw/zinc/06/65/93/967066593.db2.gz KHFYPJKHCPLDBC-STQMWFEESA-N 2 0 299.434 1.655 10 0 CDAERP CC/C=C\CC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001480119541 967089506 /nfs/dbraw/zinc/08/95/06/967089506.db2.gz QBIHWJTXLDKQJT-XHPSBEMXSA-N 2 0 281.444 1.875 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001448771184 967248506 /nfs/dbraw/zinc/24/85/06/967248506.db2.gz FACHNDRMCTXEBV-CHWSQXEVSA-N 2 0 275.412 1.511 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC001450262069 967665149 /nfs/dbraw/zinc/66/51/49/967665149.db2.gz NRJMANHKTVIQDB-JHJVBQTASA-N 2 0 255.406 1.125 10 0 CDAERP COC(=O)[C@@H]1[C@H](C[NH2+]CCC[NH+]2CCCC2)C1(F)F ZINC001353585233 968080225 /nfs/dbraw/zinc/08/02/25/968080225.db2.gz SYMYOPVMVLVLBG-QWRGUYRKSA-N 2 0 276.327 1.116 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCCC2)C12CCC2 ZINC001454174407 968439369 /nfs/dbraw/zinc/43/93/69/968439369.db2.gz XKLYIZMTTMLJPS-KGLIPLIRSA-N 2 0 293.455 1.850 10 0 CDAERP COCCNC(=[NH2+])NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000849046855 969433601 /nfs/dbraw/zinc/43/36/01/969433601.db2.gz XRQXSVMNORUNFS-CABCVRRESA-N 2 0 290.411 1.092 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC=C(C)C ZINC001480598028 970075089 /nfs/dbraw/zinc/07/50/89/970075089.db2.gz XWFJHQVKPWILBM-HUUCEWRRSA-N 2 0 281.444 1.921 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC001469558371 970254312 /nfs/dbraw/zinc/25/43/12/970254312.db2.gz RKWSGGZFJCGUPD-SOUVJXGZSA-N 2 0 281.444 1.563 10 0 CDAERP CCCCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001495670047 972587892 /nfs/dbraw/zinc/58/78/92/972587892.db2.gz SSBRGIZSJITMMQ-RRFJBIMHSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)C[NH2+]CCF ZINC001495756098 972624867 /nfs/dbraw/zinc/62/48/67/972624867.db2.gz YYHOEKCDHLJGPR-UONOGXRCSA-N 2 0 287.423 1.562 10 0 CDAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]CC1CCC1 ZINC001495810846 972645887 /nfs/dbraw/zinc/64/58/87/972645887.db2.gz YYUAKYHAFBYJIK-CYBMUJFWSA-N 2 0 267.417 1.224 10 0 CDAERP C[C@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CCC1CC1 ZINC001371830349 972651224 /nfs/dbraw/zinc/65/12/24/972651224.db2.gz GLLXTICRVJXGSB-ZIAGYGMSSA-N 2 0 281.444 1.613 10 0 CDAERP CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](CC)[NH+](CC)CC ZINC001496156798 972820890 /nfs/dbraw/zinc/82/08/90/972820890.db2.gz IIBJQLOSSQULBP-CHWSQXEVSA-N 2 0 257.422 1.563 10 0 CDAERP CC(C)[NH2+][C@@H](CNC(=O)COC1CC[NH+](C)CC1)C(C)C ZINC001496623845 972996157 /nfs/dbraw/zinc/99/61/57/972996157.db2.gz PIHAKBZUMRQUDF-HNNXBMFYSA-N 2 0 299.459 1.236 10 0 CDAERP CC[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CCOC(C)C)[NH+](C)C ZINC001372561531 973004820 /nfs/dbraw/zinc/00/48/20/973004820.db2.gz ADELUNOZJDMNRM-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP CC[C@H](F)C[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001372540136 973007280 /nfs/dbraw/zinc/00/72/80/973007280.db2.gz DHAGFBSLBJMEEK-STQMWFEESA-N 2 0 273.396 1.267 10 0 CDAERP Cc1cc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)no1 ZINC001497153607 973215274 /nfs/dbraw/zinc/21/52/74/973215274.db2.gz GQLZIDLOMMUNCN-FZMZJTMJSA-N 2 0 294.399 1.062 10 0 CDAERP Cc1cnc([C@H](C)[NH2+]CC[C@H](C)NC(=O)CC[NH+](C)C)o1 ZINC001497266171 973268271 /nfs/dbraw/zinc/26/82/71/973268271.db2.gz XHSGQVQMQQXGCP-AAEUAGOBSA-N 2 0 296.415 1.480 10 0 CDAERP CCN(CCC[NH+]1CCCC1)C(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001417716079 973322514 /nfs/dbraw/zinc/32/25/14/973322514.db2.gz GIIPTKKNMHTJAU-HNNXBMFYSA-N 2 0 299.434 1.755 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001373249237 973326433 /nfs/dbraw/zinc/32/64/33/973326433.db2.gz WQQPLWAILMLGSB-GJZGRUSLSA-N 2 0 299.434 1.659 10 0 CDAERP CCN(CC[NH2+]CCF)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001497407779 973335479 /nfs/dbraw/zinc/33/54/79/973335479.db2.gz OBUYWZSRWRZADE-KGLIPLIRSA-N 2 0 285.407 1.411 10 0 CDAERP CCN(CC[NH2+]CCC[C@H](C)O)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001497418682 973339602 /nfs/dbraw/zinc/33/96/02/973339602.db2.gz SJPDQQIZPITHTD-LSDHHAIUSA-N 2 0 299.459 1.070 10 0 CDAERP CC(C)C[N@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001373292249 973349222 /nfs/dbraw/zinc/34/92/22/973349222.db2.gz KIXXIWJHQKCPIZ-HZPDHXFCSA-N 2 0 295.471 1.765 10 0 CDAERP CC(C)CCC[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001497546249 973399844 /nfs/dbraw/zinc/39/98/44/973399844.db2.gz CYYWLSUETIXJHO-FOSCPCJNSA-N 2 0 281.444 1.779 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC(C)C)[C@@H]1CC)[NH+](C)C ZINC001417826854 973404083 /nfs/dbraw/zinc/40/40/83/973404083.db2.gz NLGIPHMJUNTBDZ-RRFJBIMHSA-N 2 0 283.460 1.952 10 0 CDAERP CCC[NH2+]C/C=C\CNC(=O)C12CCC[NH+]1CCC2 ZINC001497623498 973438383 /nfs/dbraw/zinc/43/83/83/973438383.db2.gz PWWNQECCXXZRPM-ARJAWSKDSA-N 2 0 265.401 1.287 10 0 CDAERP C[NH+](C)CCC(=O)NC/C=C/C[NH2+]CC1CCC1 ZINC001497673574 973459539 /nfs/dbraw/zinc/45/95/39/973459539.db2.gz FWGKPNPKTSETBF-ONEGZZNKSA-N 2 0 253.390 1.000 10 0 CDAERP Cc1ncc(C[NH2+]C/C=C\CNC(=O)CC[NH+](C)C)s1 ZINC001497675335 973462521 /nfs/dbraw/zinc/46/25/21/973462521.db2.gz OTAKSUDNCNAYOZ-PLNGDYQASA-N 2 0 296.440 1.165 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001373600292 973511756 /nfs/dbraw/zinc/51/17/56/973511756.db2.gz FPGOYFIBPRHUCG-OLZOCXBDSA-N 2 0 285.407 1.267 10 0 CDAERP CCCC[N@@H+]1CCC[C@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001418129765 973602551 /nfs/dbraw/zinc/60/25/51/973602551.db2.gz RHSOPHZODJPEDZ-JKSUJKDBSA-N 2 0 295.471 1.957 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]C/C=C\Cl ZINC001497993914 973603157 /nfs/dbraw/zinc/60/31/57/973603157.db2.gz UUWIKKPAYANBPM-UWNIJABGSA-N 2 0 287.835 1.708 10 0 CDAERP Cc1ncccc1C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001418216063 973670147 /nfs/dbraw/zinc/67/01/47/973670147.db2.gz RUGHOHDDOKRNBI-WFASDCNBSA-N 2 0 290.411 1.079 10 0 CDAERP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CCC(F)(F)F ZINC001418300210 973737708 /nfs/dbraw/zinc/73/77/08/973737708.db2.gz JHMYNIVYQGQUPS-QWRGUYRKSA-N 2 0 295.349 1.375 10 0 CDAERP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccn1 ZINC001418305375 973739659 /nfs/dbraw/zinc/73/96/59/973739659.db2.gz ZSHOISNGRQAUET-KGLIPLIRSA-N 2 0 290.411 1.018 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001418347524 973758757 /nfs/dbraw/zinc/75/87/57/973758757.db2.gz XNZPEIIOUHRDED-ZIAGYGMSSA-N 2 0 299.434 1.657 10 0 CDAERP Cc1ncsc1C[NH2+][C@H](C)CCNC(=O)CC[NH+](C)C ZINC001418420728 973813845 /nfs/dbraw/zinc/81/38/45/973813845.db2.gz JPORZDKNSMJDEV-LLVKDONJSA-N 2 0 298.456 1.388 10 0 CDAERP C[C@@H]([NH2+]CC1CC1)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001374388563 973916756 /nfs/dbraw/zinc/91/67/56/973916756.db2.gz FPPGKHURCNEBTI-UKRRQHHQSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@H+](C)CC1CC(C)C1 ZINC001498456244 973925296 /nfs/dbraw/zinc/92/52/96/973925296.db2.gz LUVGVYQYWZUIKC-SLTAFYQDSA-N 2 0 283.460 1.809 10 0 CDAERP CC(C)C[NH2+]CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001498652302 974010385 /nfs/dbraw/zinc/01/03/85/974010385.db2.gz AEKLCTZJEFPRSX-UHFFFAOYSA-N 2 0 255.406 1.176 10 0 CDAERP CC(C)[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001374894801 974170466 /nfs/dbraw/zinc/17/04/66/974170466.db2.gz OUGVMFVPGFQCKF-ZFWWWQNUSA-N 2 0 281.444 1.896 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCF ZINC001499909523 974332989 /nfs/dbraw/zinc/33/29/89/974332989.db2.gz WNCFJVBYFAPIQT-GJZGRUSLSA-N 2 0 299.434 1.657 10 0 CDAERP CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001500372273 974428458 /nfs/dbraw/zinc/42/84/58/974428458.db2.gz KMPUOIAJCNOYKT-ZOBUZTSGSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[NH2+]C[C@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001500376662 974429534 /nfs/dbraw/zinc/42/95/34/974429534.db2.gz RCAMVDGTVKVVIB-HNNXBMFYSA-N 2 0 269.433 1.422 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)C1C[NH+](CC2CC(C)C2)C1 ZINC001375724239 974464131 /nfs/dbraw/zinc/46/41/31/974464131.db2.gz NUGKTTVGYBAMAE-UHFFFAOYSA-N 2 0 281.444 1.515 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C/C=C/Cl)C2 ZINC001376306496 974626898 /nfs/dbraw/zinc/62/68/98/974626898.db2.gz RALDWWCQYCYCOD-COUOUHIZSA-N 2 0 299.846 1.660 10 0 CDAERP CC1CC(C[NH2+]C2(CNC(=O)CC[NH+](C)C)CCC2)C1 ZINC001501995975 974671010 /nfs/dbraw/zinc/67/10/10/974671010.db2.gz QJRYEIHDAQOSIS-UHFFFAOYSA-N 2 0 281.444 1.613 10 0 CDAERP CC[N@@H+]1CCC[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001376507580 974677693 /nfs/dbraw/zinc/67/76/93/974677693.db2.gz GQNGQUGZAGCDBL-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCO[C@H](C[NH2+]CC=C(C)C)C1 ZINC001502085369 974689862 /nfs/dbraw/zinc/68/98/62/974689862.db2.gz WXAHHFZSPRRUQG-OAHLLOKOSA-N 2 0 297.443 1.111 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001376822448 974783755 /nfs/dbraw/zinc/78/37/55/974783755.db2.gz JMDUSHPPNQQELU-LSDHHAIUSA-N 2 0 283.460 2.000 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]CCc1ccccc1 ZINC001376878474 974801210 /nfs/dbraw/zinc/80/12/10/974801210.db2.gz KUQCWDVAVKLJMC-OAHLLOKOSA-N 2 0 291.439 1.664 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001502987757 974808313 /nfs/dbraw/zinc/80/83/13/974808313.db2.gz MTDKGXRICJJYHW-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP C[N@H+](CCF)C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001377770602 975135395 /nfs/dbraw/zinc/13/53/95/975135395.db2.gz NEHQXKVVEVZWOH-CQSZACIVSA-N 2 0 299.434 1.611 10 0 CDAERP O=C(C[NH+]1CCCC1)NCC1C[NH+](Cc2ccccc2)C1 ZINC001378026079 975212113 /nfs/dbraw/zinc/21/21/13/975212113.db2.gz ONZPYSRGMTYFCZ-UHFFFAOYSA-N 2 0 287.407 1.330 10 0 CDAERP COCCCC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001506747495 975213161 /nfs/dbraw/zinc/21/31/61/975213161.db2.gz GPXYKJMVLWUOMJ-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP CC[N@H+](C)CCOCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001506977679 975281540 /nfs/dbraw/zinc/28/15/40/975281540.db2.gz SUWYBJSPCLWINJ-OAHLLOKOSA-N 2 0 299.459 1.335 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001507018654 975297305 /nfs/dbraw/zinc/29/73/05/975297305.db2.gz LFBGEJYAZBHLQG-HZPDHXFCSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+]CC1CC(C)(C)C1 ZINC001378599535 975410563 /nfs/dbraw/zinc/41/05/63/975410563.db2.gz IQQDVEJASGGPMA-CYBMUJFWSA-N 2 0 283.460 1.716 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CCCF)CN1C(=O)CC1CC[NH+](C)CC1 ZINC001507328460 975417286 /nfs/dbraw/zinc/41/72/86/975417286.db2.gz VPRZWRNVPZUQDE-HIFRSBDPSA-N 2 0 299.434 1.657 10 0 CDAERP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC(C)C)CC1(C)C)[NH+](C)C ZINC001378661711 975432405 /nfs/dbraw/zinc/43/24/05/975432405.db2.gz HMFYHPOWNCELLP-UONOGXRCSA-N 2 0 283.460 1.809 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001507408668 975457536 /nfs/dbraw/zinc/45/75/36/975457536.db2.gz DZFUFPDDGOFYDJ-LSDHHAIUSA-N 2 0 281.444 1.779 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@@H](C[NH2+]CCF)C(C)(C)C)CC1 ZINC001508003498 975575887 /nfs/dbraw/zinc/57/58/87/975575887.db2.gz LYJVDYOFUXWODH-LBPRGKRZSA-N 2 0 287.423 1.418 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]C(C)C ZINC001401574864 975705690 /nfs/dbraw/zinc/70/56/90/975705690.db2.gz AWMCVKMFCILWAE-LSDHHAIUSA-N 2 0 283.460 2.000 10 0 CDAERP C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]CCC(C)(C)C ZINC001379274041 975740043 /nfs/dbraw/zinc/74/00/43/975740043.db2.gz IIABCPBZMOZXRY-CQSZACIVSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccccn1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001401707885 975820321 /nfs/dbraw/zinc/82/03/21/975820321.db2.gz OEAXKXJWEJZYEL-KGLIPLIRSA-N 2 0 290.411 1.018 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001379539060 975913904 /nfs/dbraw/zinc/91/39/04/975913904.db2.gz ZQVZAOMBYFTWBR-XDQVBPFNSA-N 2 0 287.423 1.559 10 0 CDAERP C[C@@H](C[N@H+](C)CCCF)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001401795679 975920105 /nfs/dbraw/zinc/92/01/05/975920105.db2.gz GVGQGCZEUVOTGN-STQMWFEESA-N 2 0 273.396 1.124 10 0 CDAERP CC(C)[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001379623256 975964097 /nfs/dbraw/zinc/96/40/97/975964097.db2.gz NGMWMKKUWDZPFV-RRFJBIMHSA-N 2 0 281.444 1.563 10 0 CDAERP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](CC[C@@H](C)F)C1 ZINC001402128609 976136311 /nfs/dbraw/zinc/13/63/11/976136311.db2.gz XYIVQQBRJIKNJC-ZIAGYGMSSA-N 2 0 287.423 1.655 10 0 CDAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001402179255 976163037 /nfs/dbraw/zinc/16/30/37/976163037.db2.gz DXCLFCVSBUYAQG-GDBMZVCRSA-N 2 0 289.423 1.890 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccccn1)[NH+](C)C ZINC001406547326 976250397 /nfs/dbraw/zinc/25/03/97/976250397.db2.gz VJEHGIDSUJFQJO-GXTWGEPZSA-N 2 0 278.400 1.016 10 0 CDAERP Cc1cc(C[NH2+]C[C@H](C)NC(=O)C[NH+]2CCCC2)sn1 ZINC001406562005 976252125 /nfs/dbraw/zinc/25/21/25/976252125.db2.gz OXBIRIZNCASQRW-LBPRGKRZSA-N 2 0 296.440 1.142 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCC1CC1 ZINC001398971277 976272984 /nfs/dbraw/zinc/27/29/84/976272984.db2.gz ZGCPNGUXETWLPY-HIFRSBDPSA-N 2 0 281.444 1.755 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCOC ZINC001402472461 976300783 /nfs/dbraw/zinc/30/07/83/976300783.db2.gz IJLJFOFBPMKZEG-LSDHHAIUSA-N 2 0 297.443 1.040 10 0 CDAERP C[C@H](C[N@H+](C)CCO)NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001406633408 976318646 /nfs/dbraw/zinc/31/86/46/976318646.db2.gz CCZBVHPMLPUMDK-CYBMUJFWSA-N 2 0 299.459 1.068 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001402552284 976353543 /nfs/dbraw/zinc/35/35/43/976353543.db2.gz QQJYZLCUKWWBTF-AVGNSLFASA-N 2 0 273.396 1.313 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001399244371 976390646 /nfs/dbraw/zinc/39/06/46/976390646.db2.gz ZTONIYLONOOZIE-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP CCC(CC)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001399255908 976398023 /nfs/dbraw/zinc/39/80/23/976398023.db2.gz TZCDMKCFVSYZPR-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccn1 ZINC001390717626 976450471 /nfs/dbraw/zinc/45/04/71/976450471.db2.gz GENBGDFOFAECDO-UONOGXRCSA-N 2 0 290.411 1.018 10 0 CDAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]CC1CC1 ZINC001402820246 976500777 /nfs/dbraw/zinc/50/07/77/976500777.db2.gz HYQLXIMSCZLCEE-DZGCQCFKSA-N 2 0 281.444 1.754 10 0 CDAERP CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001380666261 976505079 /nfs/dbraw/zinc/50/50/79/976505079.db2.gz IWAUVVOKYNBOLI-ZIAGYGMSSA-N 2 0 279.428 1.319 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001407036883 976521260 /nfs/dbraw/zinc/52/12/60/976521260.db2.gz XWTBVUHFNGFEDM-DOTOQJQBSA-N 2 0 295.471 1.909 10 0 CDAERP C[NH+](C)CCC(=O)NCC[N@H+](C)Cc1ccc(CF)cc1 ZINC001390813223 976531399 /nfs/dbraw/zinc/53/13/99/976531399.db2.gz ROUPPSRJHJUODU-UHFFFAOYSA-N 2 0 295.402 1.656 10 0 CDAERP C[NH+](C)C1(C(=O)NC2CC(C[NH2+]CC3CCC3)C2)CCC1 ZINC001402919320 976590632 /nfs/dbraw/zinc/59/06/32/976590632.db2.gz GNTHLPANCYPJGC-UHFFFAOYSA-N 2 0 293.455 1.755 10 0 CDAERP C[C@@H](O)C[N@H+](C)CCCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001380969845 976632886 /nfs/dbraw/zinc/63/28/86/976632886.db2.gz JCLWIHQMHMUIDI-CQSZACIVSA-N 2 0 299.459 1.022 10 0 CDAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CCC1CCCC1 ZINC001403146046 976761181 /nfs/dbraw/zinc/76/11/81/976761181.db2.gz WDYMUAIGMYNZJV-AWEZNQCLSA-N 2 0 281.444 1.757 10 0 CDAERP CC(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001381576152 976928533 /nfs/dbraw/zinc/92/85/33/976928533.db2.gz NVYXURRXSFFSLG-KKUMJFAQSA-N 2 0 283.460 1.809 10 0 CDAERP C[C@H](F)CC[NH+]1CC(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001400503230 977065208 /nfs/dbraw/zinc/06/52/08/977065208.db2.gz NVHWZWZBLWKKMV-ZFWWWQNUSA-N 2 0 299.434 1.657 10 0 CDAERP CC[C@H](F)C[NH2+][C@@H](C)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001403578413 977079522 /nfs/dbraw/zinc/07/95/22/977079522.db2.gz USXITCMXMHWEIO-KBPBESRZSA-N 2 0 299.434 1.799 10 0 CDAERP CCC[NH+]1CCC([C@H](C)NC(=O)CC[N@H+](C)CC)CC1 ZINC001382566978 977309375 /nfs/dbraw/zinc/30/93/75/977309375.db2.gz WIMUDRBZBCOWGL-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP COC[C@H](C)[NH+]1CCC(C)(CNC(=O)CC[NH+](C)C)CC1 ZINC001393181270 977725051 /nfs/dbraw/zinc/72/50/51/977725051.db2.gz RXLWEGUORJZPCE-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@@H](F)CC[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CCC1 ZINC001393556537 977836100 /nfs/dbraw/zinc/83/61/00/977836100.db2.gz XKNLDAZJHQALMI-CYBMUJFWSA-N 2 0 299.434 1.705 10 0 CDAERP CCCC[C@@H](C[NH2+]C(C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001394199363 978101656 /nfs/dbraw/zinc/10/16/56/978101656.db2.gz BBPNYLUNSVZBEG-QLFBSQMISA-N 2 0 283.460 2.000 10 0 CDAERP COC[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001394501188 978186421 /nfs/dbraw/zinc/18/64/21/978186421.db2.gz IPNUXPAJVQFFLQ-UONOGXRCSA-N 2 0 299.459 1.332 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCC(F)(F)F ZINC001394561468 978204766 /nfs/dbraw/zinc/20/47/66/978204766.db2.gz XALBGAXOJGNGFV-QWRGUYRKSA-N 2 0 295.349 1.327 10 0 CDAERP CC(C)[NH+]1CCC([C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001394845277 978283484 /nfs/dbraw/zinc/28/34/84/978283484.db2.gz BFVHPJUOGYCNQN-HUUCEWRRSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001674948945 1174042226 /nfs/dbraw/zinc/04/22/26/1174042226.db2.gz NDDRSXCRHCQDBA-ZIAGYGMSSA-N 2 0 269.433 1.563 10 0 CDAERP CC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001675119461 1174077773 /nfs/dbraw/zinc/07/77/73/1174077773.db2.gz FZRURHSDWXTGFF-KGLIPLIRSA-N 2 0 269.433 1.563 10 0 CDAERP C[C@@H](CCC[NH2+]CCCF)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001676018187 1174174137 /nfs/dbraw/zinc/17/41/37/1174174137.db2.gz HZDYWWAYNWYBLJ-QWHCGFSZSA-N 2 0 273.396 1.172 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCO[C@@H](C[NH2+]CC=C(C)C)C1 ZINC001570159903 1170096663 /nfs/dbraw/zinc/09/66/63/1170096663.db2.gz MAJFCVFAYGSMTC-HNNXBMFYSA-N 2 0 297.443 1.111 10 0 CDAERP CCCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001571580365 1170484164 /nfs/dbraw/zinc/48/41/64/1170484164.db2.gz ONMQATOBZIDYID-LSDHHAIUSA-N 2 0 299.459 1.068 10 0 CDAERP C[NH+](C)C1(C(=O)NC[C@@H]2CCCC[N@@H+]2C)CCCC1 ZINC001653272782 1171530848 /nfs/dbraw/zinc/53/08/48/1171530848.db2.gz MTUGNZJDHQXVIF-ZDUSSCGKSA-N 2 0 267.417 1.461 10 0 CDAERP CC[C@H](C)[NH2+]C[C@H](O)CO[C@@H]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000675078831 539085638 /nfs/dbraw/zinc/08/56/38/539085638.db2.gz AAJVCFFDIGNBKY-BTFPBAQTSA-N 2 0 270.417 1.283 10 0 CDAERP CCCC[NH2+]C[C@H](O)CO[C@@H]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000675080169 539085848 /nfs/dbraw/zinc/08/58/48/539085848.db2.gz NWFHEMCJBLDGAS-BYNSBNAKSA-N 2 0 270.417 1.284 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CC[NH+]3CCCC[C@H]23)C1 ZINC000618556317 349482914 /nfs/dbraw/zinc/48/29/14/349482914.db2.gz ANBQYNBGJDJSIW-MELADBBJSA-N 2 0 280.416 1.007 10 0 CDAERP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000650757892 398181104 /nfs/dbraw/zinc/18/11/04/398181104.db2.gz DDZCVQILAOXTKT-CQSZACIVSA-N 2 0 282.409 1.073 10 0 CDAERP C[N@@H+](Cc1ccc(NN)[nH+]c1)CC1CCOCC1 ZINC000082545328 178089294 /nfs/dbraw/zinc/08/92/94/178089294.db2.gz CJGDRAAWCMGEGJ-UHFFFAOYSA-N 2 0 250.346 1.226 10 0 CDAERP CSC1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000601324985 342553363 /nfs/dbraw/zinc/55/33/63/342553363.db2.gz UDWOLSJNZHVQGX-LLVKDONJSA-N 2 0 256.415 1.335 10 0 CDAERP Cc1ccc2[nH+]ccc(NC[C@@H]3C[N@@H+](C)CCN3C)c2c1 ZINC000354583196 365563615 /nfs/dbraw/zinc/56/36/15/365563615.db2.gz XPVBQKQHWMEQSI-CQSZACIVSA-N 2 0 284.407 1.623 10 0 CDAERP CCC(C)(C)[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000624939229 342022909 /nfs/dbraw/zinc/02/29/09/342022909.db2.gz GSLAUOJYKUTAPN-AWEZNQCLSA-N 2 0 296.459 1.596 10 0 CDAERP CN1CCN(c2cc[nH+]c3ccccc32)[C@H](C[NH3+])C1 ZINC000122803476 342064870 /nfs/dbraw/zinc/06/48/70/342064870.db2.gz SMIBXTBYDCEMLX-GFCCVEGCSA-N 2 0 256.353 1.314 10 0 CDAERP CN(CC1C[NH+](C)C1)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000618191007 342133158 /nfs/dbraw/zinc/13/31/58/342133158.db2.gz PJIVMILUZPPCLW-INIZCTEOSA-N 2 0 289.423 1.699 10 0 CDAERP CSCCC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592184026 342679870 /nfs/dbraw/zinc/67/98/70/342679870.db2.gz XMSBZZWFFKCSDU-UHFFFAOYSA-N 2 0 258.431 1.536 10 0 CDAERP C[C@@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)C1CC[NH+](C)CC1 ZINC000624343023 342157798 /nfs/dbraw/zinc/15/77/98/342157798.db2.gz NTKMZFRQBLGIRD-IUODEOHRSA-N 2 0 279.428 1.460 10 0 CDAERP c1ccc(C[N@@H+]2CCCN3CC[NH2+]CC[C@@H]3C2)cc1 ZINC000096897782 185125534 /nfs/dbraw/zinc/12/55/34/185125534.db2.gz GUUKEESDCCIQRV-MRXNPFEDSA-N 2 0 259.397 1.556 10 0 CDAERP Cc1cncn1CC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000624398107 342164706 /nfs/dbraw/zinc/16/47/06/342164706.db2.gz WUZVGVHVXGKMCX-LBPRGKRZSA-N 2 0 264.373 1.040 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)CCc1ccc2c(c1)OCO2 ZINC000629392660 361909021 /nfs/dbraw/zinc/90/90/21/361909021.db2.gz RNHABGKTDRDVJU-CYBMUJFWSA-N 2 0 294.395 1.562 10 0 CDAERP CCOC(=O)CC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000593728616 342829956 /nfs/dbraw/zinc/82/99/56/342829956.db2.gz AJDBHIRRBMRVQD-BFHYXJOUSA-N 2 0 284.400 1.300 10 0 CDAERP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CCOCCC[NH3+] ZINC000629398035 361930262 /nfs/dbraw/zinc/93/02/62/361930262.db2.gz KJCATGWGSIGFLI-CYBMUJFWSA-N 2 0 294.395 1.691 10 0 CDAERP C[C@@H](CCc1ccccc1)[NH2+]CCOCCC[NH3+] ZINC000629398192 361930599 /nfs/dbraw/zinc/93/05/99/361930599.db2.gz OLIGJXPEUIYVHB-AWEZNQCLSA-N 2 0 250.386 1.963 10 0 CDAERP CCOc1ccccc1C[NH2+]CCOCCC[NH3+] ZINC000629398722 361933041 /nfs/dbraw/zinc/93/30/41/361933041.db2.gz XWOXNIONXJHZIQ-UHFFFAOYSA-N 2 0 252.358 1.540 10 0 CDAERP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC2([NH3+])CCOCC2)[C@@H]1C ZINC000600708165 342243189 /nfs/dbraw/zinc/24/31/89/342243189.db2.gz JHWYWYONIJZINK-FRRDWIJNSA-N 2 0 284.400 1.062 10 0 CDAERP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)[C@@H]1C ZINC000600710216 342243531 /nfs/dbraw/zinc/24/35/31/342243531.db2.gz QVXFNPNEGLAPTE-ZOBORPQBSA-N 2 0 280.412 1.838 10 0 CDAERP CC[C@H]1C[C@H](C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)CCO1 ZINC000441356871 362006128 /nfs/dbraw/zinc/00/61/28/362006128.db2.gz RNEPMCUHKJJRMW-CVEARBPZSA-N 2 0 297.487 1.807 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000079253889 342343204 /nfs/dbraw/zinc/34/32/04/342343204.db2.gz ZYIGGKAOBWGHQP-LSDHHAIUSA-N 2 0 298.475 1.890 10 0 CDAERP CCC[NH+]1CCN(c2nc(N)[nH+]c3c2CCCC3)CC1 ZINC000645095741 362115662 /nfs/dbraw/zinc/11/56/62/362115662.db2.gz PTJAKYCFIDSVCM-UHFFFAOYSA-N 2 0 275.400 1.300 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCOC3CCOCC3)C[C@H]21 ZINC000629519745 362138803 /nfs/dbraw/zinc/13/88/03/362138803.db2.gz QNHKMBYXAMAZEJ-BPLDGKMQSA-N 2 0 268.401 1.241 10 0 CDAERP CCc1nc(C)c([C@@H](C)[NH2+]CCOCC[NH2+]C)s1 ZINC000629528725 362154626 /nfs/dbraw/zinc/15/46/26/362154626.db2.gz HTGGJLXWOOFLEG-SNVBAGLBSA-N 2 0 271.430 1.901 10 0 CDAERP C[NH2+]CCOCC[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000629529171 362155346 /nfs/dbraw/zinc/15/53/46/362155346.db2.gz UIHRLGPYWWLFQM-UHFFFAOYSA-N 2 0 284.322 1.048 10 0 CDAERP CCC1(CC)[C@H]([NH2+]CCOCC[NH2+]C)C[C@H]1OC ZINC000629529370 362157471 /nfs/dbraw/zinc/15/74/71/362157471.db2.gz AVHSRGODEXWFIE-CHWSQXEVSA-N 2 0 258.406 1.406 10 0 CDAERP C[C@@H]1[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2O)C[C@@H]1c1ccccc1 ZINC000263162457 362148208 /nfs/dbraw/zinc/14/82/08/362148208.db2.gz DYNUWDNSPTTZIV-AFHWFKKNSA-N 2 0 260.381 1.349 10 0 CDAERP CN1CCOC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000629532434 362165297 /nfs/dbraw/zinc/16/52/97/362165297.db2.gz AOHZCQKXRZVHLI-CAOSSQGBSA-N 2 0 281.444 1.217 10 0 CDAERP C(CC[NH2+][C@H]1C[C@@H]2COC[C@@H]21)CC[NH+]1CCCC1 ZINC001658206106 1172025924 /nfs/dbraw/zinc/02/59/24/1172025924.db2.gz VDZNVNNUKARBIP-ILXRZTDVSA-N 2 0 252.402 1.877 10 0 CDAERP C[C@H](CNC(=O)N[C@@H]1CCC[N@H+](C)C1)[NH+]1CCC(C)CC1 ZINC000620820906 342444531 /nfs/dbraw/zinc/44/45/31/342444531.db2.gz JARAWSJOPKUVOQ-HUUCEWRRSA-N 2 0 296.459 1.500 10 0 CDAERP C[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)Cc1ccccc1 ZINC000273170247 192064258 /nfs/dbraw/zinc/06/42/58/192064258.db2.gz DVHSPDVJRSXQCA-WBVHZDCISA-N 2 0 276.424 1.912 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)C[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000054308638 343800348 /nfs/dbraw/zinc/80/03/48/343800348.db2.gz BIHHPCBPKXRISB-ZBFHGGJFSA-N 2 0 289.423 1.795 10 0 CDAERP COC[C@H](O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000601831690 344263461 /nfs/dbraw/zinc/26/34/61/344263461.db2.gz IZFNVVIJUPVHQP-MRXNPFEDSA-N 2 0 284.444 1.582 10 0 CDAERP CS[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C[C@@H]1[NH+](C)C ZINC000602131334 344356775 /nfs/dbraw/zinc/35/67/75/344356775.db2.gz MFNBLWFFONZETK-AAXDQBDMSA-N 2 0 294.424 1.017 10 0 CDAERP Cc1nc2ccc(CNC[C@H]3C[NH2+]C[C@H]3O)cc2s1 ZINC000263265716 362410914 /nfs/dbraw/zinc/41/09/14/362410914.db2.gz ROKMEEZTVASYFG-WCQYABFASA-N 2 0 277.393 1.275 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000623066949 344645803 /nfs/dbraw/zinc/64/58/03/344645803.db2.gz UNIMNBSXTHYYRY-DOMZBBRYSA-N 2 0 290.411 1.868 10 0 CDAERP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000606650542 345046129 /nfs/dbraw/zinc/04/61/29/345046129.db2.gz QMMWCYGIEFZUHD-ZIAGYGMSSA-N 2 0 282.432 1.062 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)CC2([NH3+])CCCCC2)C1 ZINC000084168735 178813453 /nfs/dbraw/zinc/81/34/53/178813453.db2.gz SOKGZUWKQARXQB-CYBMUJFWSA-N 2 0 267.417 1.496 10 0 CDAERP CC(C)[N@H+](C)CCCCNC(=O)CC1([NH3+])CCCC1 ZINC000084185611 178819525 /nfs/dbraw/zinc/81/95/25/178819525.db2.gz BNXWYJKQRZEIMP-UHFFFAOYSA-N 2 0 269.433 1.885 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)Cc2cn3ccccc3n2)C1 ZINC000617414614 345514368 /nfs/dbraw/zinc/51/43/68/345514368.db2.gz MQJGAYATSGKRTL-GFCCVEGCSA-N 2 0 272.352 1.087 10 0 CDAERP CCN(C(=O)[C@@H](C)[NH2+]C(C)(C)CC)[C@H]1CC[N@H+](C)C1 ZINC000617552845 345847849 /nfs/dbraw/zinc/84/78/49/345847849.db2.gz WIMUOMSOBDOPSE-OLZOCXBDSA-N 2 0 269.433 1.706 10 0 CDAERP C[C@@H](Cn1cncn1)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623382557 346117321 /nfs/dbraw/zinc/11/73/21/346117321.db2.gz KSDDVBUJCDZGCF-NWDGAFQWSA-N 2 0 251.378 1.129 10 0 CDAERP C[NH+]1CC[C@@H](NC[C@@H]2CCC[N@@H+](C)C2)CC1(C)C ZINC000623410998 346250386 /nfs/dbraw/zinc/25/03/86/346250386.db2.gz PKJVDGXKANSWRW-UONOGXRCSA-N 2 0 253.434 1.791 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000085359742 179031994 /nfs/dbraw/zinc/03/19/94/179031994.db2.gz XXUWDFRIJQXIBZ-GJZGRUSLSA-N 2 0 281.444 1.885 10 0 CDAERP C[NH+](C)CCN(C(=O)[C@@H]1CCCC[C@H]1[NH3+])C1CCCC1 ZINC000085369384 179039122 /nfs/dbraw/zinc/03/91/22/179039122.db2.gz GSSVEPSXERJHLV-HUUCEWRRSA-N 2 0 281.444 1.837 10 0 CDAERP O=C1NCCN1CC[N@@H+]1CCCCC[C@H]1C1CC[NH2+]CC1 ZINC000085403483 179052998 /nfs/dbraw/zinc/05/29/98/179052998.db2.gz XQXSVFRCWXOKHY-HNNXBMFYSA-N 2 0 294.443 1.256 10 0 CDAERP CCN(C)C(=O)C[N@@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403511 179053335 /nfs/dbraw/zinc/05/33/35/179053335.db2.gz GXGWCCJQCQACJR-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP COCc1noc([C@@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC000584597975 346381177 /nfs/dbraw/zinc/38/11/77/346381177.db2.gz AGMPXKIXCMLVCB-UTUOFQBUSA-N 2 0 280.372 1.208 10 0 CDAERP Cc1nccn1CCN1C[C@H](C(C)C)[NH2+]CC1(C)C ZINC000085467532 179072510 /nfs/dbraw/zinc/07/25/10/179072510.db2.gz QOLGENJTIXGOIF-CQSZACIVSA-N 2 0 264.417 1.900 10 0 CDAERP COc1ccc(CC[N@H+](C)CCC[NH3+])cc1OC ZINC000038869846 346461859 /nfs/dbraw/zinc/46/18/59/346461859.db2.gz JWANNLXCVGJLAS-UHFFFAOYSA-N 2 0 252.358 1.527 10 0 CDAERP Cc1nc2c(n1C[C@H](C)[NH+]1CCCCC1)CC[NH2+]C2 ZINC000085573450 179098099 /nfs/dbraw/zinc/09/80/99/179098099.db2.gz GDAVBVSKLLTVLV-LBPRGKRZSA-N 2 0 262.401 1.712 10 0 CDAERP C[C@@H]1CC[NH2+][C@](C)(C2CC2)C[N@@H+]1CCn1cccn1 ZINC000085623721 179106412 /nfs/dbraw/zinc/10/64/12/179106412.db2.gz RGUTUECEDRVKTG-HIFRSBDPSA-N 2 0 262.401 1.736 10 0 CDAERP CN1C[C@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CCC1=O ZINC000623426553 346558778 /nfs/dbraw/zinc/55/87/78/346558778.db2.gz QNEKMYGRYFIQDK-VXGBXAGGSA-N 2 0 253.390 1.070 10 0 CDAERP C[NH+]1CCC(N2CC[NH2+][C@@](C)(c3ccccc3)C2)CC1 ZINC000086127449 179235681 /nfs/dbraw/zinc/23/56/81/179235681.db2.gz IKXBEDOXOFDJEJ-QGZVFWFLSA-N 2 0 273.424 1.901 10 0 CDAERP CC[C@@H]1CNC(C)(C)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086259121 179258095 /nfs/dbraw/zinc/25/80/95/179258095.db2.gz OOMPNMYODUNLGI-CQSZACIVSA-N 2 0 253.434 1.791 10 0 CDAERP C[C@H]1C[NH2+][C@](C)(C2CC2)CN1C[C@@H]1CCCC[N@@H+]1C ZINC000086259314 179258373 /nfs/dbraw/zinc/25/83/73/179258373.db2.gz MCZRADRSBNHMDF-BPUTZDHNSA-N 2 0 265.445 1.933 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+]Cc1ccnc(C)c1 ZINC000623491495 347603310 /nfs/dbraw/zinc/60/33/10/347603310.db2.gz WUSVQOJLABJRIU-UHFFFAOYSA-N 2 0 265.401 1.838 10 0 CDAERP C[N@@H+]1CC[C@@H](N[C@@H]2CCC[NH+](CCCO)C2)CC1(C)C ZINC000623535750 347619998 /nfs/dbraw/zinc/61/99/98/347619998.db2.gz DPPMVNRSALEYRM-HUUCEWRRSA-N 2 0 283.460 1.296 10 0 CDAERP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)[C@H](O)C(F)F ZINC000623537502 347621607 /nfs/dbraw/zinc/62/16/07/347621607.db2.gz ZBBIULWRGDLSSZ-VWYCJHECSA-N 2 0 264.360 1.853 10 0 CDAERP C[C@H]1C[N@H+](CCCN[C@@H]2CC[NH+](C)C(C)(C)C2)CCCO1 ZINC000623507400 347608299 /nfs/dbraw/zinc/60/82/99/347608299.db2.gz HDZGTQGESWUCQB-JKSUJKDBSA-N 2 0 297.487 1.950 10 0 CDAERP COC[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)[C@H]1CCCO1 ZINC000623510457 347609953 /nfs/dbraw/zinc/60/99/53/347609953.db2.gz YVUHLBDFSCSKQM-HZSPNIEDSA-N 2 0 270.417 1.643 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)CCC1CCC([NH3+])CC1 ZINC000104201021 185927791 /nfs/dbraw/zinc/92/77/91/185927791.db2.gz JJSLQRZAGRDWLT-UHFFFAOYSA-N 2 0 269.433 1.694 10 0 CDAERP C[NH+](C)CCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000056523873 348818629 /nfs/dbraw/zinc/81/86/29/348818629.db2.gz HDFQRIRIWSQVPS-UHFFFAOYSA-N 2 0 269.433 1.565 10 0 CDAERP CC[C@@H]1CN(C(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)C[C@H](C)[NH2+]1 ZINC000620904483 350374454 /nfs/dbraw/zinc/37/44/54/350374454.db2.gz OBIKGMWJFPCPIJ-SBJFKYEJSA-N 2 0 281.444 1.847 10 0 CDAERP C[C@@H]1CC[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C[NH2+]1 ZINC000629540205 362959303 /nfs/dbraw/zinc/95/93/03/362959303.db2.gz OBABIDNSOCBIKJ-QKGCVVFFSA-N 2 0 251.418 1.637 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000629535162 362960613 /nfs/dbraw/zinc/96/06/13/362960613.db2.gz BTIIPOLJNACONJ-RBSFLKMASA-N 2 0 270.417 1.537 10 0 CDAERP CC(C)[C@@H]([NH2+]CCOCCC[NH3+])c1ccc(F)cn1 ZINC000629535278 362961123 /nfs/dbraw/zinc/96/11/23/362961123.db2.gz BYMOWHIRFOEIMX-CQSZACIVSA-N 2 0 269.364 1.873 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+]CCOCCC[NH3+])C12CCCC2 ZINC000629540458 362964123 /nfs/dbraw/zinc/96/41/23/362964123.db2.gz UTJNOUXLRXIPQH-UONOGXRCSA-N 2 0 270.417 1.679 10 0 CDAERP C[C@@H]1C[C@@H](C)[N@H+](CCOC2CCOCC2)C[C@@H]1C[NH3+] ZINC000629542428 362966405 /nfs/dbraw/zinc/96/64/05/362966405.db2.gz ZHPVNRZFSOSZOG-MCIONIFRSA-N 2 0 270.417 1.487 10 0 CDAERP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc2oc(=O)n(C)c2c1 ZINC000629545222 362971163 /nfs/dbraw/zinc/97/11/63/362971163.db2.gz CKJHPEZJODMEDM-ZJUUUORDSA-N 2 0 263.341 1.347 10 0 CDAERP CCn1nccc1CC[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000621776860 350773108 /nfs/dbraw/zinc/77/31/08/350773108.db2.gz YKNBGJPUQBBPET-LSDHHAIUSA-N 2 0 276.428 1.767 10 0 CDAERP CCn1nccc1CC[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000621776321 350773187 /nfs/dbraw/zinc/77/31/87/350773187.db2.gz JARYHZZOOPGQTF-IHRRRGAJSA-N 2 0 264.417 1.751 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)CCC(=O)Nc1ccccc1F ZINC000629570373 363016838 /nfs/dbraw/zinc/01/68/38/363016838.db2.gz WRXWFOXUPZWKJY-UHFFFAOYSA-N 2 0 297.374 1.322 10 0 CDAERP Cc1n[nH]cc1C[N@H+](C)C[C@H]1CCc2nccn2C1 ZINC000328636466 351310047 /nfs/dbraw/zinc/31/00/47/351310047.db2.gz OANGIRJJIDAYNL-GFCCVEGCSA-N 2 0 259.357 1.609 10 0 CDAERP COCCN1CCC[C@@H]1C[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000623886336 351318392 /nfs/dbraw/zinc/31/83/92/351318392.db2.gz ZFJAIROKBCCPGH-KFWWJZLASA-N 2 0 270.417 1.644 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000333547089 363024003 /nfs/dbraw/zinc/02/40/03/363024003.db2.gz JWKPJNDFJGTROG-OIYCOIKZSA-N 2 0 294.443 1.299 10 0 CDAERP CCc1ccc(CC[N@H+](C)CCOCC[NH2+]C)cc1 ZINC000629572340 363026896 /nfs/dbraw/zinc/02/68/96/363026896.db2.gz ZTABKXJSUAGAHO-UHFFFAOYSA-N 2 0 264.413 1.959 10 0 CDAERP CC[NH2+]CC1CCN(C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000333707776 363112301 /nfs/dbraw/zinc/11/23/01/363112301.db2.gz RURZAZROGGXIHQ-AWEZNQCLSA-N 2 0 282.432 1.160 10 0 CDAERP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634763591 358472395 /nfs/dbraw/zinc/47/23/95/358472395.db2.gz ZIGKMWPPQNZBIB-GFCCVEGCSA-N 2 0 290.411 1.656 10 0 CDAERP c1cc2c(cc1N[C@@H]1CC[C@@H]3C[NH2+]C[C@H]3C1)OCC[NH2+]C2 ZINC000629665912 363304601 /nfs/dbraw/zinc/30/46/01/363304601.db2.gz YMWKFYUDJDNMHU-BPLDGKMQSA-N 2 0 287.407 1.969 10 0 CDAERP COC[C@]1(C)C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000629674146 363321010 /nfs/dbraw/zinc/32/10/10/363321010.db2.gz WTVMLSJCZPOSKK-MCIONIFRSA-N 2 0 256.390 1.112 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](C)[C@H](C)C2)CC[N@@H+]1C ZINC000631487568 363353145 /nfs/dbraw/zinc/35/31/45/363353145.db2.gz KLGTYTVLDYVCOE-ZOBORPQBSA-N 2 0 267.417 1.316 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N(C)CC[NH+](C)C ZINC000356115440 366165099 /nfs/dbraw/zinc/16/50/99/366165099.db2.gz TZEJTDBXEDDAMY-OKILXGFUSA-N 2 0 284.448 1.452 10 0 CDAERP C[N@@H+]1CC[C@@]2(CCN(CC[C@@H]3CCCC[NH+]3C)C2)C1 ZINC000368352884 283106606 /nfs/dbraw/zinc/10/66/06/283106606.db2.gz YNHXHSUPQHTIHK-JKSUJKDBSA-N 2 0 265.445 1.888 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](CO)C2)[C@H]2CCC[C@@H]21 ZINC000414349951 283141019 /nfs/dbraw/zinc/14/10/19/283141019.db2.gz YOXPQHRXCZOBOF-OTJKEOIZSA-N 2 0 266.429 2.000 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCc1cc(F)cc(F)c1 ZINC000234785944 140232172 /nfs/dbraw/zinc/23/21/72/140232172.db2.gz CIEHETJRVBDWAR-AWEZNQCLSA-N 2 0 272.339 1.851 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)N[C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423140032 283187555 /nfs/dbraw/zinc/18/75/55/283187555.db2.gz MAWNXQGSPSWOMU-CWRNSKLLSA-N 2 0 283.460 1.463 10 0 CDAERP C[NH+](C)Cc1cccc(C(=O)NCCC[N@H+](C)CCF)c1 ZINC001660408576 1172210921 /nfs/dbraw/zinc/21/09/21/1172210921.db2.gz JHJLFQOFMWJHFB-UHFFFAOYSA-N 2 0 295.402 1.769 10 0 CDAERP C[C@H](C[NH3+])C[NH2+]CCCCCCC[NH2+]C[C@@H](C)C[NH3+] ZINC000013650039 356687526 /nfs/dbraw/zinc/68/75/26/356687526.db2.gz MWLSYIYLGQBHFG-GASCZTMLSA-N 4 0 272.481 1.306 10 0 CDAERP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)NC2CCCCC2)C1 ZINC000070074235 356837129 /nfs/dbraw/zinc/83/71/29/356837129.db2.gz ICPYTHUSNJSQAJ-CYBMUJFWSA-N 2 0 267.417 1.496 10 0 CDAERP Cc1cc(NCC[N@H+]2CCC[C@H](C)C2)nc(N(C)C)[nH+]1 ZINC000065394825 357535331 /nfs/dbraw/zinc/53/53/31/357535331.db2.gz OZMQUEHKMVWMGY-LBPRGKRZSA-N 2 0 277.416 1.995 10 0 CDAERP C[C@H](CC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000127220501 358228787 /nfs/dbraw/zinc/22/87/87/358228787.db2.gz ABWCLPMNIVLMLU-BZUAXINKSA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)[NH+](CCC[N@@H+](C[C@H](C)O)C(C)C)C[C@H](C)O ZINC000343501943 316037668 /nfs/dbraw/zinc/03/76/68/316037668.db2.gz RLFGDTMCHXYIQO-GJZGRUSLSA-N 2 0 274.449 1.559 10 0 CDAERP CCCNC(=O)CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353455046 283363326 /nfs/dbraw/zinc/36/33/26/283363326.db2.gz NTRRSZSTQFORSJ-MJBXVCDLSA-N 2 0 267.417 1.365 10 0 CDAERP CCC[NH2+][C@H](C)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634761806 358430453 /nfs/dbraw/zinc/43/04/53/358430453.db2.gz JPQOGIPMFUFMSC-VXGBXAGGSA-N 2 0 255.406 1.269 10 0 CDAERP COc1cc(C[NH2+]CCCC[NH+](C)C)cc2c1OCO2 ZINC000133400766 358610606 /nfs/dbraw/zinc/61/06/06/358610606.db2.gz YDBJDOLHXGTLHE-UHFFFAOYSA-N 2 0 280.368 1.855 10 0 CDAERP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000040807194 358702502 /nfs/dbraw/zinc/70/25/02/358702502.db2.gz DUQXBKHPRUTSLJ-AVGNSLFASA-N 2 0 267.417 1.364 10 0 CDAERP C[NH+](C)CCN(C(=O)C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC000054308228 358712143 /nfs/dbraw/zinc/71/21/43/358712143.db2.gz ANNOIMGRWIIMJC-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP C[NH+](CCC[NH3+])CCCCCCCC[N@H+](C)CCC[NH3+] ZINC000028770530 358832604 /nfs/dbraw/zinc/83/26/04/358832604.db2.gz DLWMDGXNADVAME-UHFFFAOYSA-N 4 0 286.508 1.888 10 0 CDAERP O=C(C[C@@H]1CCC[NH2+]1)N1CCC([NH+]2CCCC2)CC1 ZINC000042170528 358908910 /nfs/dbraw/zinc/90/89/10/358908910.db2.gz HSFXWWTWWZAGFD-ZDUSSCGKSA-N 2 0 265.401 1.215 10 0 CDAERP CN(C(=O)[C@@H]1CC12CC[NH2+]CC2)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000261901491 359083292 /nfs/dbraw/zinc/08/32/92/359083292.db2.gz DZZWNBLBGGEYGU-KBPBESRZSA-N 2 0 277.412 1.071 10 0 CDAERP CC[C@@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)C[C@@H]1N1CCOCC1 ZINC000261977832 359111304 /nfs/dbraw/zinc/11/13/04/359111304.db2.gz IWSGOIGEICIHGV-OWCLPIDISA-N 2 0 281.444 1.029 10 0 CDAERP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C[C@]1(C)CC[NH2+]C1 ZINC000261977789 359111421 /nfs/dbraw/zinc/11/14/21/359111421.db2.gz IWGGVBRGAGPDKR-KLHDSHLOSA-N 2 0 281.444 1.170 10 0 CDAERP CC[C@@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)C[C@H]1N1CCOCC1 ZINC000261977830 359112052 /nfs/dbraw/zinc/11/20/52/359112052.db2.gz IWSGOIGEICIHGV-OAGGEKHMSA-N 2 0 281.444 1.029 10 0 CDAERP C([NH2+][C@H]1CCC[C@@H]1[C@H]1COCCN1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262016105 359122662 /nfs/dbraw/zinc/12/26/62/359122662.db2.gz VZLNTPLNFRCOJW-QSPRXWTASA-N 3 0 293.455 1.217 10 0 CDAERP CC(C)(C)[NH+]1CCC([NH2+]C[C@H](O)Cn2cccn2)CC1 ZINC000572356727 359135356 /nfs/dbraw/zinc/13/53/56/359135356.db2.gz SSQXWVZYXWGQEP-AWEZNQCLSA-N 2 0 280.416 1.097 10 0 CDAERP CN(CC[N@H+](C)CC[C@H]1CCCCO1)C1CC[NH+](C)CC1 ZINC000347478415 359418927 /nfs/dbraw/zinc/41/89/27/359418927.db2.gz AGWXTFCKWUBIOQ-QGZVFWFLSA-N 2 0 297.487 1.903 10 0 CDAERP CC[NH+](CC)CC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115415674 359541643 /nfs/dbraw/zinc/54/16/43/359541643.db2.gz JJIHPYWAHWMHEX-UHFFFAOYSA-N 2 0 295.402 1.845 10 0 CDAERP C[NH+](C)Cc1cc(CNC(=O)[C@H]2CCC[N@@H+]2C)ccc1F ZINC000115415404 359541761 /nfs/dbraw/zinc/54/17/61/359541761.db2.gz YJNWMNLPZNMUBC-OAHLLOKOSA-N 2 0 293.386 1.598 10 0 CDAERP C[C@@H]1CCC[C@H]([NH2+][C@H](C2CC2)[C@H]2CNCCO2)C1 ZINC000422705347 359650448 /nfs/dbraw/zinc/65/04/48/359650448.db2.gz RHRGFFDISYIEMA-FAAHXZRKSA-N 2 0 252.402 1.922 10 0 CDAERP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000335110856 291191216 /nfs/dbraw/zinc/19/12/16/291191216.db2.gz JYDNQWFMHSXYQA-TZMCWYRMSA-N 2 0 265.401 1.071 10 0 CDAERP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000377522458 291191645 /nfs/dbraw/zinc/19/16/45/291191645.db2.gz DWSRZZXJIBGJGZ-LJISPDSOSA-N 2 0 279.428 1.460 10 0 CDAERP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1=O ZINC000422917975 359674249 /nfs/dbraw/zinc/67/42/49/359674249.db2.gz GKYUJVATQWYUGX-SJJUBHFPSA-N 2 0 291.439 1.506 10 0 CDAERP C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000158086276 291192405 /nfs/dbraw/zinc/19/24/05/291192405.db2.gz ICRTUFMJUBFLHN-AAVRWANBSA-N 2 0 265.401 1.118 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H](CO)c1ccccc1 ZINC000423004300 359734948 /nfs/dbraw/zinc/73/49/48/359734948.db2.gz JPXQSOZJVNMLIV-CABCVRRESA-N 2 0 266.385 1.106 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423424103 359781248 /nfs/dbraw/zinc/78/12/48/359781248.db2.gz MKHYWJXSMDVQRE-IHRRRGAJSA-N 3 0 257.422 1.095 10 0 CDAERP CC[C@H](Cn1cncn1)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423431415 359786243 /nfs/dbraw/zinc/78/62/43/359786243.db2.gz VGKSGGBOGIYGNH-MGPQQGTHSA-N 2 0 265.405 1.411 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000423437383 359790121 /nfs/dbraw/zinc/79/01/21/359790121.db2.gz QJFUWMVODLWWPQ-KBUPBQIOSA-N 3 0 253.434 1.966 10 0 CDAERP C([NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)[C@H]1C[NH2+]CCCO1 ZINC000423488589 359817672 /nfs/dbraw/zinc/81/76/72/359817672.db2.gz DZKUEUWVBNWLSV-KLHDSHLOSA-N 2 0 282.428 1.550 10 0 CDAERP C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000237059963 283502919 /nfs/dbraw/zinc/50/29/19/283502919.db2.gz UBINSUYUNAEGGV-ILXRZTDVSA-N 2 0 279.428 1.365 10 0 CDAERP COCC(C)(C)[NH+]1CCN(C[C@@H]([NH3+])CC(C)C)CC1 ZINC000424371497 360025304 /nfs/dbraw/zinc/02/53/04/360025304.db2.gz VFFYKOQZLZPCGF-AWEZNQCLSA-N 2 0 271.449 1.402 10 0 CDAERP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H]2CCOC2)C1 ZINC000348373122 360033282 /nfs/dbraw/zinc/03/32/82/360033282.db2.gz VXRSDRUDWDMRFY-KBPBESRZSA-N 2 0 256.390 1.208 10 0 CDAERP C[NH2+]C(C)(C)CNC(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424418724 360046668 /nfs/dbraw/zinc/04/66/68/360046668.db2.gz CAGQOOHZYJAQIX-UHFFFAOYSA-N 2 0 264.373 1.573 10 0 CDAERP [NH3+]Cc1cc(C(=O)N2CCc3ccccc3[C@H]2C[NH3+])co1 ZINC000335429857 360169304 /nfs/dbraw/zinc/16/93/04/360169304.db2.gz QFCXYXAQHORQIT-OAHLLOKOSA-N 2 0 285.347 1.437 10 0 CDAERP C[C@H]([NH3+])CCC(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000516283765 360590003 /nfs/dbraw/zinc/59/00/03/360590003.db2.gz IRTZDFNKDSHTRX-ZDUSSCGKSA-N 2 0 290.411 1.290 10 0 CDAERP CC1CC[NH+](CCCNC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000626925534 360641647 /nfs/dbraw/zinc/64/16/47/360641647.db2.gz OFIIQSBPQVOSDY-LSDHHAIUSA-N 2 0 296.459 1.548 10 0 CDAERP CCS(=O)(=O)C[C@H](C)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635011585 360656057 /nfs/dbraw/zinc/65/60/57/360656057.db2.gz QYVWPQHKWFMSJL-LBPRGKRZSA-N 2 0 296.436 1.245 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000626921691 360627670 /nfs/dbraw/zinc/62/76/70/360627670.db2.gz OITXJMJFNNPHAP-GXTWGEPZSA-N 2 0 282.432 1.299 10 0 CDAERP CC(C)[NH+](CCNC(=O)N[C@@H]1CC[NH2+]C12CCC2)C(C)C ZINC000626920057 360635717 /nfs/dbraw/zinc/63/57/17/360635717.db2.gz QRCCYMYJOAWJHB-CQSZACIVSA-N 2 0 296.459 1.689 10 0 CDAERP CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccnc(C)c2)C1 ZINC000348847721 360636236 /nfs/dbraw/zinc/63/62/36/360636236.db2.gz FMNKIBXKZBGCAO-LBPRGKRZSA-N 2 0 262.357 1.275 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000416796308 296022212 /nfs/dbraw/zinc/02/22/12/296022212.db2.gz WOHSTELGJUMARI-NXEZZACHSA-N 2 0 270.421 1.331 10 0 CDAERP COC1(C[C@@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)CCC1 ZINC000429541456 360850374 /nfs/dbraw/zinc/85/03/74/360850374.db2.gz VRKFGJJBHLHXBR-HUUCEWRRSA-N 2 0 283.460 1.560 10 0 CDAERP O=C(NC[C@@H]1CCC[NH2+]C1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000247038886 360991189 /nfs/dbraw/zinc/99/11/89/360991189.db2.gz SQZHCORFOKYIMZ-RQJABVFESA-N 2 0 265.401 1.023 10 0 CDAERP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000180150764 189240030 /nfs/dbraw/zinc/24/00/30/189240030.db2.gz APMSMNOCHGCNIX-NVXWUHKLSA-N 2 0 289.423 1.890 10 0 CDAERP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1cccc(-n2cnnn2)c1 ZINC000643524788 361070173 /nfs/dbraw/zinc/07/01/73/361070173.db2.gz HXUADJCJEKEYRL-TYNCELHUSA-N 2 0 286.383 1.311 10 0 CDAERP C[C@@H]1C[N@H+](C)C[C@H]1NCCC[NH+]1CCCO[C@H](C)C1 ZINC000432361728 361156122 /nfs/dbraw/zinc/15/61/22/361156122.db2.gz ZFJINRCNXRBQON-RBSFLKMASA-N 2 0 269.433 1.027 10 0 CDAERP COCC[N@H+](C)CCCNC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000351402861 361664880 /nfs/dbraw/zinc/66/48/80/361664880.db2.gz NZQQAKSBEFMQQM-HNNXBMFYSA-N 2 0 299.459 1.335 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000351488452 361709249 /nfs/dbraw/zinc/70/92/49/361709249.db2.gz VPYRMNDNAPYLTO-HUUCEWRRSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@]1(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)CCCS1 ZINC000628352071 363845150 /nfs/dbraw/zinc/84/51/50/363845150.db2.gz WVNKYMFKELTHMR-LSDHHAIUSA-N 2 0 284.469 1.803 10 0 CDAERP C[C@H]1CSC[C@@H]1[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000352799321 363917978 /nfs/dbraw/zinc/91/79/78/363917978.db2.gz MNVWROPZFIIGQD-FZMZJTMJSA-N 2 0 297.468 1.071 10 0 CDAERP CC[NH+](CC)CCCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000566629285 370780509 /nfs/dbraw/zinc/78/05/09/370780509.db2.gz PZLROJXLTKYMDX-CQSZACIVSA-N 2 0 269.433 1.566 10 0 CDAERP CCC[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000167772360 364359206 /nfs/dbraw/zinc/35/92/06/364359206.db2.gz YEMKDVIHNBRQHD-KGLIPLIRSA-N 2 0 267.417 1.591 10 0 CDAERP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000394179511 364368327 /nfs/dbraw/zinc/36/83/27/364368327.db2.gz OEKHJGAVQDIUNH-VXGBXAGGSA-N 2 0 289.370 1.209 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000357237598 366851598 /nfs/dbraw/zinc/85/15/98/366851598.db2.gz WQFMDBBRCPXHRH-JHJVBQTASA-N 2 0 253.390 1.022 10 0 CDAERP CC[NH+]1CCN(CC[NH2+]Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000071819567 364631866 /nfs/dbraw/zinc/63/18/66/364631866.db2.gz NSIPQJSZOAIZBC-UHFFFAOYSA-N 2 0 293.459 1.434 10 0 CDAERP Cc1nccn1C[C@@H]1CCC[N@@H+]1CCn1ccnc1 ZINC000163169364 364693473 /nfs/dbraw/zinc/69/34/73/364693473.db2.gz BPLWSPSBWDGFSW-AWEZNQCLSA-N 3 0 259.357 1.553 10 0 CDAERP c1[nH]nc2cc(CN3C[C@@H]4CCC[NH2+][C@@H]4C3)ccc12 ZINC000271160580 364950554 /nfs/dbraw/zinc/95/05/54/364950554.db2.gz CXNXPLHWERIWDX-DZGCQCFKSA-N 2 0 256.353 1.747 10 0 CDAERP CC[C@H](Cn1cncn1)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000353381976 365172710 /nfs/dbraw/zinc/17/27/10/365172710.db2.gz GWCDWSRVHIFGOH-LSDHHAIUSA-N 2 0 279.432 1.768 10 0 CDAERP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)[C@H]1C[C@H]1C ZINC000414129073 241081749 /nfs/dbraw/zinc/08/17/49/241081749.db2.gz UPEBIDGMJDPDDF-YCPHGPKFSA-N 2 0 267.461 1.894 10 0 CDAERP C[C@@H]([NH2+]Cc1ccccc1-n1cccn1)[C@H]1CC[NH2+]C1 ZINC000400392235 366952976 /nfs/dbraw/zinc/95/29/76/366952976.db2.gz IQVMWQVDZGAVSH-KGLIPLIRSA-N 2 0 270.380 1.960 10 0 CDAERP C[C@]1(CN2CCCC[C@H]([NH+]3CCCC3)C2)CC[NH2+]C1 ZINC000262074225 291380055 /nfs/dbraw/zinc/38/00/55/291380055.db2.gz SJQJWVYATKFZIX-HOTGVXAUSA-N 2 0 265.445 1.936 10 0 CDAERP C[N@@H+]1CC[C@@](O)(CNCc2cc(-c3ccccc3)n[nH]2)C1 ZINC000358169586 367486035 /nfs/dbraw/zinc/48/60/35/367486035.db2.gz QFFAXZCJMJHMSY-MRXNPFEDSA-N 2 0 286.379 1.233 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000627157456 367585912 /nfs/dbraw/zinc/58/59/12/367585912.db2.gz AEBISIBGVWSASS-UONOGXRCSA-N 2 0 294.443 1.302 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+]2CCC1CC2 ZINC000358289080 367574958 /nfs/dbraw/zinc/57/49/58/367574958.db2.gz FVFOTUUGJPKNLG-HNNXBMFYSA-N 2 0 294.443 1.350 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000232824860 367576009 /nfs/dbraw/zinc/57/60/09/367576009.db2.gz WYXSVHIHKDDZLV-DGCLKSJQSA-N 2 0 265.401 1.118 10 0 CDAERP [NH3+]CCCNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000416813351 242160616 /nfs/dbraw/zinc/16/06/16/242160616.db2.gz FXSSINJWAWHCOM-GFCCVEGCSA-N 2 0 280.372 1.065 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CC)CCC[NH+]1CCCC1 ZINC000627162209 367592399 /nfs/dbraw/zinc/59/23/99/367592399.db2.gz HDKOCIBLSSUDNS-LSDHHAIUSA-N 2 0 296.459 1.644 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NCC1(C)CC[NH2+]CC1 ZINC000417011999 242267360 /nfs/dbraw/zinc/26/73/60/242267360.db2.gz UVEVLOCDBLGYIP-CYBMUJFWSA-N 2 0 284.448 1.406 10 0 CDAERP [NH3+]CCCNC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000417031981 242282136 /nfs/dbraw/zinc/28/21/36/242282136.db2.gz QJONGRAYPJKRDI-UHFFFAOYSA-N 2 0 290.411 1.083 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000417234031 242371880 /nfs/dbraw/zinc/37/18/80/242371880.db2.gz UBWIYOSHQNKNPH-ZFWWWQNUSA-N 2 0 290.411 1.250 10 0 CDAERP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627205993 367703095 /nfs/dbraw/zinc/70/30/95/367703095.db2.gz GFRORDPQSVSPTF-VOAKCMCISA-N 2 0 268.405 1.038 10 0 CDAERP CCC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353528996 284021339 /nfs/dbraw/zinc/02/13/39/284021339.db2.gz OWUHRBMXMFYKIY-KBXIAJHMSA-N 2 0 254.418 2.000 10 0 CDAERP CC[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000125274509 368228080 /nfs/dbraw/zinc/22/80/80/368228080.db2.gz SCWNCXRYEZMDHL-ZDUSSCGKSA-N 2 0 279.428 1.461 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH+]2C)[C@@H](C)C1 ZINC000360589594 368376591 /nfs/dbraw/zinc/37/65/91/368376591.db2.gz UIEDJTSIIBGESY-ULQDDVLXSA-N 2 0 297.487 1.807 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)NC(C)(C)C[NH3+])cc1 ZINC000418460617 243105495 /nfs/dbraw/zinc/10/54/95/243105495.db2.gz KGGFIAKKNBDZIY-JTQLQIEISA-N 2 0 264.373 1.243 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc1 ZINC000418461324 243106577 /nfs/dbraw/zinc/10/65/77/243106577.db2.gz LPNQDNMAGLPSMV-UPJWGTAASA-N 2 0 290.411 1.598 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000418555377 243210662 /nfs/dbraw/zinc/21/06/62/243210662.db2.gz DNDYUMWRXLMLPQ-UKRRQHHQSA-N 2 0 290.411 1.155 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC(C)(C)CCC[NH+](C)C ZINC000418598182 243258306 /nfs/dbraw/zinc/25/83/06/243258306.db2.gz QJMQSEAMABXEPH-CHWSQXEVSA-N 2 0 284.448 1.404 10 0 CDAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000418575949 243228730 /nfs/dbraw/zinc/22/87/30/243228730.db2.gz NRQJQCQPAGOQAD-ZFWWWQNUSA-N 2 0 296.459 1.358 10 0 CDAERP CC(C)Cc1ncc(C[NH2+]CCN2CC[NH2+]CC2)s1 ZINC000414873261 368528235 /nfs/dbraw/zinc/52/82/35/368528235.db2.gz XMOGSAJPVRTSOZ-UHFFFAOYSA-N 2 0 282.457 1.336 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000414880958 368677048 /nfs/dbraw/zinc/67/70/48/368677048.db2.gz KMWDTZXOOUBRJS-NEPJUHHUSA-N 2 0 294.399 1.484 10 0 CDAERP CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H]1CCOC1 ZINC000361589150 368919790 /nfs/dbraw/zinc/91/97/90/368919790.db2.gz GPPNPNMAJAXVIK-INIZCTEOSA-N 2 0 283.460 1.513 10 0 CDAERP [NH3+][C@@H](Cc1cn(C[C@@H]2CCC[NH2+]2)nn1)Cc1ccccc1 ZINC000630605491 369387067 /nfs/dbraw/zinc/38/70/67/369387067.db2.gz JRRCTEMRIOZEOJ-CABCVRRESA-N 2 0 285.395 1.143 10 0 CDAERP CC1(C[NH2+]Cc2ccc(-n3cncn3)cc2)CC[NH2+]CC1 ZINC000414896287 369449027 /nfs/dbraw/zinc/44/90/27/369449027.db2.gz BHRHWWRLWLRAKC-UHFFFAOYSA-N 2 0 285.395 1.747 10 0 CDAERP COC1(C[C@H](C)[NH2+]C[C@H]2CN3CCC[C@@H]3CO2)CCC1 ZINC000368467774 369486463 /nfs/dbraw/zinc/48/64/63/369486463.db2.gz XFRWZTQLWKCAKT-ZNMIVQPWSA-N 2 0 282.428 1.787 10 0 CDAERP CN(C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC000368698161 369569209 /nfs/dbraw/zinc/56/92/09/369569209.db2.gz IWWQTPQLZGIGLQ-INIZCTEOSA-N 2 0 299.434 1.752 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CN1CCN(CCOCC2CC2)CC1 ZINC000119417728 370113002 /nfs/dbraw/zinc/11/30/02/370113002.db2.gz GMHZZNZGZFWLKS-KRWDZBQOSA-N 2 0 295.471 1.515 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCc1cnc(C2CC2)nc1 ZINC000566090944 370604836 /nfs/dbraw/zinc/60/48/36/370604836.db2.gz JOHGAJFXFGGYAS-ZIAGYGMSSA-N 2 0 260.385 1.614 10 0 CDAERP CC[C@H](C)NC(=O)[C@H](C)N1CCC2(CC[NH2+]2)CC1 ZINC000422639240 245149225 /nfs/dbraw/zinc/14/92/25/245149225.db2.gz SLDGOQPQCQYJJZ-RYUDHWBXSA-N 2 0 253.390 1.118 10 0 CDAERP CC(C)OC[C@H](O)C[NH2+][C@H](C)C(C)(C)C[NH+](C)C ZINC000566114585 370613730 /nfs/dbraw/zinc/61/37/30/370613730.db2.gz CDNMJKALRDFLDR-CHWSQXEVSA-N 2 0 260.422 1.338 10 0 CDAERP C[C@@H](F)CC[NH2+]C1CCN(CCN2CCOCC2)CC1 ZINC000340464385 371063908 /nfs/dbraw/zinc/06/39/08/371063908.db2.gz UEUOGSGMNDPLCY-CQSZACIVSA-N 2 0 287.423 1.121 10 0 CDAERP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCN1CCCC1=O ZINC000422774980 245239171 /nfs/dbraw/zinc/23/91/71/245239171.db2.gz ZGFQDZGYSUTSGS-LSDHHAIUSA-N 2 0 281.444 1.899 10 0 CDAERP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)C1C[NH2+]C1 ZINC000422784024 245251517 /nfs/dbraw/zinc/25/15/17/245251517.db2.gz LSRRPUWIDUHTGB-CQSZACIVSA-N 3 0 273.424 1.980 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000422776280 245243415 /nfs/dbraw/zinc/24/34/15/245243415.db2.gz CNQDORKMSKFUGH-ZIAGYGMSSA-N 2 0 279.432 1.496 10 0 CDAERP C[NH+](C)C[C@@H]1CCCCN1C(=O)COC1CCC([NH3+])CC1 ZINC000567805450 371152371 /nfs/dbraw/zinc/15/23/71/371152371.db2.gz DUVAXYCXNWQDRT-SLTAFYQDSA-N 2 0 297.443 1.216 10 0 CDAERP COC[C@H](C)C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000573407407 371532026 /nfs/dbraw/zinc/53/20/26/371532026.db2.gz MEHTYAAKOGBPRE-HIFRSBDPSA-N 2 0 254.418 1.933 10 0 CDAERP C[NH+](C)[C@H]1CCCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000377736633 371672471 /nfs/dbraw/zinc/67/24/71/371672471.db2.gz KJPUTKWUZPTMNX-BBRMVZONSA-N 2 0 299.434 1.752 10 0 CDAERP Cc1ccc2c(c1C)OC[C@H]2NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000575377208 371829332 /nfs/dbraw/zinc/82/93/32/371829332.db2.gz HZZWUNSZOLKSOQ-GOEBONIOSA-N 2 0 290.407 1.782 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171900954 372207679 /nfs/dbraw/zinc/20/76/79/372207679.db2.gz FYVYZQWKSDCYGT-HUUCEWRRSA-N 2 0 294.443 1.350 10 0 CDAERP C[C@H]([NH2+][C@@H](CO)Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000582474276 372317760 /nfs/dbraw/zinc/31/77/60/372317760.db2.gz JCFWNAVISIBIEK-CWRNSKLLSA-N 2 0 262.397 1.568 10 0 CDAERP CCOCC[C@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000580888993 372730742 /nfs/dbraw/zinc/73/07/42/372730742.db2.gz ULFOZHMNHKHQNW-DKUMPPAJSA-N 2 0 270.417 1.379 10 0 CDAERP OC[C@H](O)C[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000580951565 372758748 /nfs/dbraw/zinc/75/87/48/372758748.db2.gz CYHRYILGXFCUBO-HZPDHXFCSA-N 2 0 290.407 1.126 10 0 CDAERP Cc1ccccc1[C@@H]([NH3+])C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000333230566 205136177 /nfs/dbraw/zinc/13/61/77/205136177.db2.gz BWYIDCCNCLLPLU-CQSZACIVSA-N 2 0 273.380 1.349 10 0 CDAERP Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000177743797 372890662 /nfs/dbraw/zinc/89/06/62/372890662.db2.gz KSWBJMRDCOEPEP-BXUZGUMPSA-N 2 0 264.417 1.652 10 0 CDAERP CCNC(=O)C1(C[NH2+][C@@H]2CCC[NH2+]CC2)CCC1 ZINC000333346310 205238916 /nfs/dbraw/zinc/23/89/16/205238916.db2.gz ZIACKFBOJKMUAZ-GFCCVEGCSA-N 2 0 253.390 1.025 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333381117 205273343 /nfs/dbraw/zinc/27/33/43/205273343.db2.gz NNFVFUWVPNQXAB-UONOGXRCSA-N 2 0 282.432 1.302 10 0 CDAERP CC[NH+](CC)CC1CC[NH+]([C@H](C)CN2CCOCC2)CC1 ZINC000340765433 373077246 /nfs/dbraw/zinc/07/72/46/373077246.db2.gz WZESPFFNVOEOGA-MRXNPFEDSA-N 2 0 297.487 1.761 10 0 CDAERP CC(C)[NH2+]CCN1CCC(C[NH+]2CCOCC2)CC1 ZINC000191449959 373491642 /nfs/dbraw/zinc/49/16/42/373491642.db2.gz RVWKBVNHNAJBKC-UHFFFAOYSA-N 2 0 269.433 1.029 10 0 CDAERP CCCC[N@H+](CC)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000064507954 373634625 /nfs/dbraw/zinc/63/46/25/373634625.db2.gz BGXLGQDHBSPQJI-UHFFFAOYSA-N 2 0 281.444 1.851 10 0 CDAERP O=C1[C@H]([N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CCN1C1CCC1 ZINC000631826186 373711648 /nfs/dbraw/zinc/71/16/48/373711648.db2.gz GXSRRRIMWLGRBG-VNHYZAJKSA-N 2 0 277.412 1.071 10 0 CDAERP C[C@@H]1C[C@H](C)[N@H+](C[C@H]2CCc3ncnn32)C[C@H]1C[NH3+] ZINC000631828797 373720439 /nfs/dbraw/zinc/72/04/39/373720439.db2.gz YTEPOMJDUVNURC-YVECIDJPSA-N 2 0 263.389 1.071 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)c1ccccc1CC[NH3+] ZINC000220112518 373874230 /nfs/dbraw/zinc/87/42/30/373874230.db2.gz SVASAFILPPAZPZ-ZDUSSCGKSA-N 2 0 277.412 1.648 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000220882705 373968629 /nfs/dbraw/zinc/96/86/29/373968629.db2.gz NHGWRFNXPBOJIH-RWMBFGLXSA-N 2 0 253.390 1.057 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H](CO)[C@H](C)c1ccccc1 ZINC000643474452 374272245 /nfs/dbraw/zinc/27/22/45/374272245.db2.gz NMQRFSLBODPBAS-VNQPRFMTSA-N 2 0 280.412 1.495 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)C2CCOCC2)CC1(C)C ZINC000623426392 374342714 /nfs/dbraw/zinc/34/27/14/374342714.db2.gz MDIYLPDZCDTFJX-KBPBESRZSA-N 2 0 270.417 1.236 10 0 CDAERP C[C@@H](C[NH3+])NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000418575084 374413516 /nfs/dbraw/zinc/41/35/16/374413516.db2.gz WFDVZMQWJFBRPU-LSDHHAIUSA-N 2 0 296.459 1.631 10 0 CDAERP OCCC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000303386586 374423589 /nfs/dbraw/zinc/42/35/89/374423589.db2.gz APCKXOMCUICFOT-OAHLLOKOSA-N 2 0 254.418 1.957 10 0 CDAERP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@]1(C)C[NH3+] ZINC000423977724 246264416 /nfs/dbraw/zinc/26/44/16/246264416.db2.gz XGQDCRRUNCPNPQ-IAQYHMDHSA-N 2 0 276.384 1.205 10 0 CDAERP Cc1ccc(O)c(C[NH2+]C[C@@H]2CCc3nccn3C2)n1 ZINC000328626563 374723725 /nfs/dbraw/zinc/72/37/25/374723725.db2.gz FFHKWZFDBZBQIW-LBPRGKRZSA-N 2 0 272.352 1.644 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2C[NH+](C)C[C@H]21 ZINC000425058931 374786488 /nfs/dbraw/zinc/78/64/88/374786488.db2.gz PVTYERUZHKQAIW-RRFJBIMHSA-N 2 0 279.428 1.413 10 0 CDAERP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000417144419 375729092 /nfs/dbraw/zinc/72/90/92/375729092.db2.gz VONQQRHSPGZMAR-GBJTYRQASA-N 2 0 292.427 1.007 10 0 CDAERP CCOC(=O)CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000055059003 375772111 /nfs/dbraw/zinc/77/21/11/375772111.db2.gz QIVSDOULZNJJIE-UHFFFAOYSA-N 2 0 268.401 1.747 10 0 CDAERP CCCCOC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000195178465 375993656 /nfs/dbraw/zinc/99/36/56/375993656.db2.gz VCXSEYMLJGBKJZ-CVEARBPZSA-N 2 0 284.444 1.582 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000431507217 376104939 /nfs/dbraw/zinc/10/49/39/376104939.db2.gz RQSJBCIWQBBMPO-LSDHHAIUSA-N 2 0 281.444 1.851 10 0 CDAERP CC[C@@H]1CN(CC[C@H]2CCC[N@@H+]2C)CC[NH+]1CCOC ZINC000245710489 376145036 /nfs/dbraw/zinc/14/50/36/376145036.db2.gz ZHVXVRBRKLWLMP-HZPDHXFCSA-N 2 0 283.460 1.513 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)CCC(C)(C)[NH3+])CC1 ZINC000638974659 376313721 /nfs/dbraw/zinc/31/37/21/376313721.db2.gz BPDJBZKPTXKEPL-UHFFFAOYSA-N 2 0 269.433 1.837 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N2CCC[C@@H]([NH2+]C)C2)CC1 ZINC000417391511 376317104 /nfs/dbraw/zinc/31/71/04/376317104.db2.gz NONYSIQSXVVRHQ-OAHLLOKOSA-N 2 0 296.459 1.502 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@H](C)[C@H](C)[NH3+])CC1 ZINC000638975995 376321780 /nfs/dbraw/zinc/32/17/80/376321780.db2.gz RVOHKDWCSCULPG-NEPJUHHUSA-N 2 0 255.406 1.303 10 0 CDAERP CO[C@@H]1CC[C@@H]2OCC[N@H+](CC[C@H]3CCC[NH2+]C3)[C@H]2C1 ZINC000420377570 376342019 /nfs/dbraw/zinc/34/20/19/376342019.db2.gz SNSGVUJGQFVFOC-WCVJEAGWSA-N 2 0 282.428 1.644 10 0 CDAERP CC[N@H+](CC(=O)N1CC[C@@H](C)[C@@H](n2ccnc2)C1)C1CC1 ZINC000246202924 376561841 /nfs/dbraw/zinc/56/18/41/376561841.db2.gz BLBOEGIRFKKQAS-HIFRSBDPSA-N 2 0 290.411 1.777 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCC[C@@H](C)O ZINC000433177485 248001825 /nfs/dbraw/zinc/00/18/25/248001825.db2.gz SVDOQWROHRZZSG-GFCCVEGCSA-N 2 0 274.368 1.826 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000334629979 376864901 /nfs/dbraw/zinc/86/49/01/376864901.db2.gz FDFUFWUSSXIXEI-RUXDESIVSA-N 2 0 265.401 1.214 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)C1 ZINC000246471426 376867329 /nfs/dbraw/zinc/86/73/29/376867329.db2.gz VJMJVSYTZBJBTN-HUUCEWRRSA-N 2 0 292.427 1.126 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)N(C)C[C@H]2CCC[NH+](C)C2)C1 ZINC000247279415 377080687 /nfs/dbraw/zinc/08/06/87/377080687.db2.gz SBMZXXZTPHUSBJ-GJZGRUSLSA-N 2 0 296.459 1.454 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000091549031 377897421 /nfs/dbraw/zinc/89/74/21/377897421.db2.gz RWEWEVGLWGCGTG-QWHCGFSZSA-N 2 0 255.406 1.160 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000417538155 377928068 /nfs/dbraw/zinc/92/80/68/377928068.db2.gz TVQLNLCZUMDIFA-LJISPDSOSA-N 2 0 296.459 1.676 10 0 CDAERP CC(C)(C)n1cc(C[NH2+]CC2CC[NH+](CCO)CC2)cn1 ZINC000069415313 378079213 /nfs/dbraw/zinc/07/92/13/378079213.db2.gz CBFYVOJDBSJCAC-UHFFFAOYSA-N 2 0 294.443 1.432 10 0 CDAERP CC(C)OCCC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662324440 412892547 /nfs/dbraw/zinc/89/25/47/412892547.db2.gz YFBIPEXLFVAOOQ-HNNXBMFYSA-N 2 0 272.433 1.844 10 0 CDAERP [NH3+]C1(CNC(=O)N[C@H]2CCC[NH2+]CC2)CCCCCC1 ZINC000634047486 378986874 /nfs/dbraw/zinc/98/68/74/378986874.db2.gz SLYZKEQBTLJLEY-ZDUSSCGKSA-N 2 0 282.432 1.479 10 0 CDAERP C[N@@H+](CC1=CCSC1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662328025 412899456 /nfs/dbraw/zinc/89/94/56/412899456.db2.gz XRZMWXTXEGGEGP-LBPRGKRZSA-N 2 0 254.399 1.112 10 0 CDAERP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@@](C)(O)CC)C1 ZINC000444593785 250149955 /nfs/dbraw/zinc/14/99/55/250149955.db2.gz HEDUESBDCUDTOS-GJZGRUSLSA-N 2 0 272.433 1.580 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CO[C@H](C)C1 ZINC000657573102 412905304 /nfs/dbraw/zinc/90/53/04/412905304.db2.gz JSHODQDIQCONRP-BFHYXJOUSA-N 2 0 257.422 1.025 10 0 CDAERP [NH3+][C@@H]1CCC[C@H](NC(=O)[C@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000446412283 250293576 /nfs/dbraw/zinc/29/35/76/250293576.db2.gz HHHLNYUAIBMRNF-ZOBORPQBSA-N 2 0 267.417 1.670 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C[NH+]1CCCC1 ZINC000344171766 379290201 /nfs/dbraw/zinc/29/02/01/379290201.db2.gz LYXIADYLEXUMBE-ILXRZTDVSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@@H]2CCCC[NH2+]2)cc1 ZINC000634269942 379277279 /nfs/dbraw/zinc/27/72/79/379277279.db2.gz KGNAGNZPHRYVKV-DOMZBBRYSA-N 2 0 290.411 1.648 10 0 CDAERP C[C@H](CCN[C@@H]1C[N@H+](C)C[C@H]1C)[NH+]1CCCCC1 ZINC000344294992 379430689 /nfs/dbraw/zinc/43/06/89/379430689.db2.gz LFVSREWHYDEDEG-RBSFLKMASA-N 2 0 253.434 1.791 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655909773 412914166 /nfs/dbraw/zinc/91/41/66/412914166.db2.gz DVZYZOHIBQNXHM-SNVBAGLBSA-N 2 0 296.337 1.048 10 0 CDAERP C[NH+](C)Cc1ccc(C(=O)NC[C@@H](C2CC2)[NH+](C)C)cn1 ZINC000448752115 250570369 /nfs/dbraw/zinc/57/03/69/250570369.db2.gz ULMAXMWXEJVQOU-HNNXBMFYSA-N 2 0 290.411 1.213 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655921063 412932744 /nfs/dbraw/zinc/93/27/44/412932744.db2.gz NWOQCUCIMPIOLL-SNVBAGLBSA-N 2 0 298.353 1.105 10 0 CDAERP OC(C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)(C1CC1)C1CC1 ZINC000657699679 412986372 /nfs/dbraw/zinc/98/63/72/412986372.db2.gz NJGGKKQJKHTWCL-GJZGRUSLSA-N 2 0 264.413 1.754 10 0 CDAERP C[C@@H](C[NH+](C)C)NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000512408697 254111476 /nfs/dbraw/zinc/11/14/76/254111476.db2.gz AHWNHJKZUYWRBH-YNEHKIRRSA-N 2 0 270.421 1.061 10 0 CDAERP OC1(C(F)(F)F)CCC([NH2+][C@@H]2CCCC[NH2+]C2)CC1 ZINC000335498944 285232328 /nfs/dbraw/zinc/23/23/28/285232328.db2.gz ZJBLYQIMQPGNTE-MOENNCHZSA-N 2 0 280.334 1.954 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@H]([NH3+])C(C)(C)C2)C1 ZINC000335285678 285230708 /nfs/dbraw/zinc/23/07/08/285230708.db2.gz QJVZDPBUALINBH-OLZOCXBDSA-N 2 0 282.432 1.240 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000662441883 413022616 /nfs/dbraw/zinc/02/26/16/413022616.db2.gz SJSYNUOCHSSMQN-CABCVRRESA-N 2 0 297.443 1.216 10 0 CDAERP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21)[NH+](CC)CC ZINC000646915693 390299263 /nfs/dbraw/zinc/29/92/63/390299263.db2.gz SUEBXIQTKIJSJD-BFHYXJOUSA-N 2 0 267.417 1.269 10 0 CDAERP C[C@H](CC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)[C@@H]1CCC[NH2+]C1 ZINC000647060711 390383851 /nfs/dbraw/zinc/38/38/51/390383851.db2.gz QHRWXLGKTIDSQA-FPCVCCKLSA-N 2 0 293.455 1.470 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)CC[C@@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000261912750 285384351 /nfs/dbraw/zinc/38/43/51/285384351.db2.gz WQFSAMMXYKUXAH-KFWWJZLASA-N 2 0 281.444 1.565 10 0 CDAERP C[NH+](C)[C@@H]1CCN(C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000170826836 292876215 /nfs/dbraw/zinc/87/62/15/292876215.db2.gz JDPPVMCBVUPYMT-CQSZACIVSA-N 2 0 282.432 1.208 10 0 CDAERP C[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)C[NH+]1CCCC1 ZINC000171902827 391315988 /nfs/dbraw/zinc/31/59/88/391315988.db2.gz XGLZBFJPOJMKKQ-LSDHHAIUSA-N 2 0 294.443 1.208 10 0 CDAERP O=C([C@H]1CCCC[NH2+]1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000648104128 391336360 /nfs/dbraw/zinc/33/63/60/391336360.db2.gz NJWHIEOLLUISLW-MELADBBJSA-N 2 0 265.401 1.119 10 0 CDAERP Cc1ccc([C@@H](CNC(=O)NCCC[NH3+])[NH+](C)C)cc1 ZINC000417306951 391349215 /nfs/dbraw/zinc/34/92/15/391349215.db2.gz GSOJLFRQZKWCRN-CQSZACIVSA-N 2 0 278.400 1.246 10 0 CDAERP CCn1nncc1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000418061170 391374439 /nfs/dbraw/zinc/37/44/39/391374439.db2.gz DHUCYLMGCSXDHC-AWEZNQCLSA-N 2 0 277.416 1.462 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3n[nH]cc3C2)[C@@H]2CCC[C@H]21 ZINC000353629343 391398519 /nfs/dbraw/zinc/39/85/19/391398519.db2.gz FFPVOLHIZUBIHU-BFJAYTPKSA-N 2 0 274.412 1.729 10 0 CDAERP CC(=O)NC1CCC([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000348636314 391448362 /nfs/dbraw/zinc/44/83/62/391448362.db2.gz AJJZNPWZHIZQMZ-CAAYCTOESA-N 2 0 281.444 1.752 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000417814008 391482509 /nfs/dbraw/zinc/48/25/09/391482509.db2.gz RJNHYZHHFIHASH-SNPRPXQTSA-N 2 0 289.423 1.827 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCC[NH2+]C1CCN(C(N)=O)CC1 ZINC000037200218 391536871 /nfs/dbraw/zinc/53/68/71/391536871.db2.gz BILXGONJOKLZNM-ZDUSSCGKSA-N 2 0 282.432 1.384 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000417828423 391498058 /nfs/dbraw/zinc/49/80/58/391498058.db2.gz HDAQMJNUKIMRHK-STQMWFEESA-N 2 0 267.417 1.413 10 0 CDAERP CC[NH+](CC)CCNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000162237621 391624049 /nfs/dbraw/zinc/62/40/49/391624049.db2.gz URNXHEMZNCMAHD-KBPBESRZSA-N 2 0 284.448 1.356 10 0 CDAERP c1nc(C2CC2)ncc1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647793724 391637106 /nfs/dbraw/zinc/63/71/06/391637106.db2.gz GEEQJEJRQAOLGQ-BZUAXINKSA-N 2 0 286.423 1.874 10 0 CDAERP C(C[NH+]1CCCC1)C[N@@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000161814849 391604825 /nfs/dbraw/zinc/60/48/25/391604825.db2.gz PAWNCHBXVUNTMM-KRWDZBQOSA-N 2 0 295.471 1.517 10 0 CDAERP C[C@@H](CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)[N@H+](C)C1CC1 ZINC000417550781 391656622 /nfs/dbraw/zinc/65/66/22/391656622.db2.gz MGKFUZVSJZAANQ-BBRMVZONSA-N 2 0 294.443 1.254 10 0 CDAERP c1nc2c([nH]1)C[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@@H]3C1)CC2 ZINC000647798806 391660763 /nfs/dbraw/zinc/66/07/63/391660763.db2.gz XQLJVXDPARLDQE-YVECIDJPSA-N 2 0 260.385 1.245 10 0 CDAERP COc1ccccc1C1([NH2+]CCOCC[NH3+])CC1 ZINC000647996331 391750857 /nfs/dbraw/zinc/75/08/57/391750857.db2.gz UTLDBMZNZUFACO-UHFFFAOYSA-N 2 0 250.342 1.249 10 0 CDAERP [NH3+]C1CCC(OCC(=O)N(C2CC2)C2CC[NH2+]CC2)CC1 ZINC000647643602 391749684 /nfs/dbraw/zinc/74/96/84/391749684.db2.gz KDXYURGNOSFFHH-UHFFFAOYSA-N 2 0 295.427 1.016 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@H](C)CC(=O)Nc1cccc(F)c1 ZINC000415015947 391724059 /nfs/dbraw/zinc/72/40/59/391724059.db2.gz NOMLLZDXLYJCLK-GMTAPVOTSA-N 2 0 267.348 1.868 10 0 CDAERP CCOC[C@@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415056195 391738248 /nfs/dbraw/zinc/73/82/48/391738248.db2.gz PLLMRSXETNLVTL-WLYUNCDWSA-N 2 0 269.433 1.217 10 0 CDAERP CC(C)([NH3+])CC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000371232535 391772463 /nfs/dbraw/zinc/77/24/63/391772463.db2.gz SSWRBEUJCQVVIF-VXGBXAGGSA-N 2 0 253.390 1.104 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)N(C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000341117546 391948555 /nfs/dbraw/zinc/94/85/55/391948555.db2.gz FKYWPPPHICKRSV-GJZGRUSLSA-N 2 0 298.475 1.842 10 0 CDAERP CCCCOC[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000195189593 392055619 /nfs/dbraw/zinc/05/56/19/392055619.db2.gz UIEMUVSYPWDZDR-ARFHVFGLSA-N 2 0 286.460 1.826 10 0 CDAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CC[C@H]([NH3+])C3)CC[C@H]21 ZINC000250593630 392229153 /nfs/dbraw/zinc/22/91/53/392229153.db2.gz IBFSGZPHTMOGHG-YIYPIFLZSA-N 2 0 265.401 1.057 10 0 CDAERP CC1=CC[N@H+](CCN[C@@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000423040486 392293147 /nfs/dbraw/zinc/29/31/47/392293147.db2.gz UHJOIRKRPDWFMA-LSDHHAIUSA-N 2 0 251.418 1.759 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCO[C@@H](CC(C)C)C1 ZINC000423040791 392294719 /nfs/dbraw/zinc/29/47/19/392294719.db2.gz HZKOVDZVOMFUEH-KKUMJFAQSA-N 2 0 272.433 1.924 10 0 CDAERP CC[NH+](CC)[C@H](C)CN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000423084277 392329376 /nfs/dbraw/zinc/32/93/76/392329376.db2.gz HKOADKXHWWMDMI-ZOBORPQBSA-N 2 0 257.422 1.059 10 0 CDAERP C[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1c[nH+]ccc1N ZINC000423079018 392325798 /nfs/dbraw/zinc/32/57/98/392325798.db2.gz XGKSIVHTZAFEOW-KBPBESRZSA-N 2 0 292.427 1.646 10 0 CDAERP Cc1ccc([C@@H](CCn2cncn2)[NH2+]CCC[NH3+])cc1 ZINC000423190743 392430679 /nfs/dbraw/zinc/43/06/79/392430679.db2.gz OBXBSVOVGRGUCI-OAHLLOKOSA-N 2 0 273.384 1.656 10 0 CDAERP CCC([NH3+])(CC)CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000423291711 392491097 /nfs/dbraw/zinc/49/10/97/392491097.db2.gz JOTRHBJVFLYYAV-MJBXVCDLSA-N 2 0 253.434 1.966 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000646652234 392618764 /nfs/dbraw/zinc/61/87/64/392618764.db2.gz FGIXAYOGFNVZIM-UONOGXRCSA-N 2 0 267.417 1.509 10 0 CDAERP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@H]2CCO[C@@H](C)C2)CC1 ZINC000449743682 392895009 /nfs/dbraw/zinc/89/50/09/392895009.db2.gz AGZFZBLKUVFIBK-HOTGVXAUSA-N 2 0 297.487 1.807 10 0 CDAERP CO[C@H]1C[N@H+](CCCN2CC[NH+](C(C)C)CC2)CC[C@H]1C ZINC000192841109 393169294 /nfs/dbraw/zinc/16/92/94/393169294.db2.gz FLLHPYLGVXVYCH-SJORKVTESA-N 2 0 297.487 1.759 10 0 CDAERP CC1(C)NC(=O)CC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000494883267 393120872 /nfs/dbraw/zinc/12/08/72/393120872.db2.gz OTFGUWUDCGRRSP-AAEUAGOBSA-N 2 0 265.401 1.118 10 0 CDAERP O[C@@H]1C[C@H]([C@H]2CCCOC2)[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000451297694 393207703 /nfs/dbraw/zinc/20/77/03/393207703.db2.gz DAGCVJYLKWRFQX-GVDBMIGSSA-N 2 0 296.455 1.724 10 0 CDAERP C(=C/C[N@@H+]1C[C@@H]2C[C@H]1CS2)\C[NH+]1C[C@@H]2C[C@H]1CS2 ZINC000459790860 393361060 /nfs/dbraw/zinc/36/10/60/393361060.db2.gz HLUUDHRINVLMEQ-DCZBQDPPSA-N 2 0 282.478 1.922 10 0 CDAERP CC[N@@H+]1CC[C@H](CN[C@@H]2C[C@@H](C)[NH+](C)C[C@@H]2C)C1 ZINC000224997700 140175805 /nfs/dbraw/zinc/17/58/05/140175805.db2.gz GELKOGQGFMOEPZ-GBJTYRQASA-N 3 0 253.434 1.647 10 0 CDAERP C[C@](O)(C[NH3+])CCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000070521712 134952466 /nfs/dbraw/zinc/95/24/66/134952466.db2.gz NMYUTYSYVQCOML-MRXNPFEDSA-N 2 0 295.402 1.438 10 0 CDAERP Cc1nccn1C[C@@H]1CCCN1CC(=O)OC(C)(C)C ZINC000178293527 140003524 /nfs/dbraw/zinc/00/35/24/140003524.db2.gz JAEVHSWLWRRKIV-ZDUSSCGKSA-N 2 0 279.384 1.998 10 0 CDAERP C[N@H+](CCCNC(=O)[C@H]1C[C@H](F)C[NH2+]1)C1CCCCC1 ZINC000188722039 140099900 /nfs/dbraw/zinc/09/99/00/140099900.db2.gz FIQQPVXJIDGDCU-GXTWGEPZSA-N 2 0 285.407 1.457 10 0 CDAERP C[NH+]1CCC(CNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000237107587 140250422 /nfs/dbraw/zinc/25/04/22/140250422.db2.gz UPSBGNOPJDUUCK-CABCVRRESA-N 2 0 281.444 1.742 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N1C[C@H]2CCC[NH+]2C[C@@H]1C ZINC000247207174 140289164 /nfs/dbraw/zinc/28/91/64/140289164.db2.gz LVDBSUMOFJZNAD-SOUVJXGZSA-N 2 0 296.459 1.595 10 0 CDAERP CC(C)(C)NC(=O)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000252723799 140323006 /nfs/dbraw/zinc/32/30/06/140323006.db2.gz VNBMYBAGEHDJRS-MGPQQGTHSA-N 2 0 281.444 1.802 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000261688407 140375301 /nfs/dbraw/zinc/37/53/01/140375301.db2.gz HMMLJGAWAFIMAN-QLFBSQMISA-N 2 0 279.428 1.448 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C[C@@]2(C)CC[NH2+]C2)[C@H](C)C1 ZINC000261736569 140382318 /nfs/dbraw/zinc/38/23/18/140382318.db2.gz HZJRONQCYBGVDM-ILXRZTDVSA-N 3 0 253.434 1.648 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]([NH3+])C1CCOCC1)C1CCCCC1 ZINC000261793002 140390391 /nfs/dbraw/zinc/39/03/91/140390391.db2.gz NRYJGXGEKIEEPO-OAHLLOKOSA-N 2 0 297.443 1.121 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000662518263 413086605 /nfs/dbraw/zinc/08/66/05/413086605.db2.gz IIUUFLVXNXWREX-GOEBONIOSA-N 2 0 281.444 1.600 10 0 CDAERP C[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656200247 413098060 /nfs/dbraw/zinc/09/80/60/413098060.db2.gz JWRGZNNOYZUHNS-QJUBBFGZSA-N 2 0 283.460 1.591 10 0 CDAERP C[C@@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@H](C)[NH3+] ZINC000417678817 397634241 /nfs/dbraw/zinc/63/42/41/397634241.db2.gz KFMHQJAUZQSDEG-QJPTWQEYSA-N 2 0 272.437 1.388 10 0 CDAERP CC(C)C[C@H]([NH3+])c1noc([C@H]2CCC[NH2+]CC2)n1 ZINC000650226102 397795707 /nfs/dbraw/zinc/79/57/07/397795707.db2.gz AQSUCPCSZWSRFK-QWRGUYRKSA-N 2 0 252.362 1.973 10 0 CDAERP CC(C)C[C@@H](C)[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685270 397897278 /nfs/dbraw/zinc/89/72/78/397897278.db2.gz VDAZGFBPAIAPSN-CYBMUJFWSA-N 2 0 255.406 1.127 10 0 CDAERP CN(CC(C)(C)[NH3+])C(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000662606088 413179190 /nfs/dbraw/zinc/17/91/90/413179190.db2.gz YJLUWRDYMCHOBB-NWDGAFQWSA-N 2 0 255.406 1.480 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662619339 413200018 /nfs/dbraw/zinc/20/00/18/413200018.db2.gz KHKBEWCXKAKNNO-VXGBXAGGSA-N 2 0 255.406 1.349 10 0 CDAERP C[NH+](C)CCCC1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000121870846 147388150 /nfs/dbraw/zinc/38/81/50/147388150.db2.gz MGCFDGIQSKOCFN-GFCCVEGCSA-N 2 0 282.350 1.963 10 0 CDAERP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC[N@@H+](C2CC2)CC1 ZINC000178747671 148085455 /nfs/dbraw/zinc/08/54/55/148085455.db2.gz VYVNGSXBFLCIEQ-GOOCMWNKSA-N 2 0 291.439 1.604 10 0 CDAERP C[C@H]1C[N@H+](CCC[NH+]2CCCC2)C[C@@H]1N1CCOCC1 ZINC000179254242 148102752 /nfs/dbraw/zinc/10/27/52/148102752.db2.gz RVSMXDPIDQIXGO-HOTGVXAUSA-N 2 0 281.444 1.125 10 0 CDAERP CCOC(=O)[C@]1(C(C)C)CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262013644 149000805 /nfs/dbraw/zinc/00/08/05/149000805.db2.gz MMTCTEDJWIJCCA-JKSUJKDBSA-N 2 0 282.428 1.897 10 0 CDAERP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cccc2ccccc21 ZINC000262193217 149032344 /nfs/dbraw/zinc/03/23/44/149032344.db2.gz YYZJBQFLMRAUNF-HOCLYGCPSA-N 2 0 256.349 1.510 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000262457864 149065394 /nfs/dbraw/zinc/06/53/94/149065394.db2.gz VLLFVBHHNJQSFW-ZFWWWQNUSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000418584500 297105621 /nfs/dbraw/zinc/10/56/21/297105621.db2.gz CDFQOPITZRQFEY-ILXRZTDVSA-N 2 0 294.443 1.254 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000346420624 153179201 /nfs/dbraw/zinc/17/92/01/153179201.db2.gz YVQVKIDKTABOIN-TZMCWYRMSA-N 2 0 267.417 1.269 10 0 CDAERP CC[N@@H+]1CCCN(C(=O)[C@H](C)CC[NH+](C)C)CC1 ZINC001585262156 1172886013 /nfs/dbraw/zinc/88/60/13/1172886013.db2.gz YRXIRBCVARXQFD-CYBMUJFWSA-N 2 0 255.406 1.128 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+][C@@H](CCC[NH3+])COC)C12CCC2 ZINC000422784216 286396507 /nfs/dbraw/zinc/39/65/07/286396507.db2.gz PHPDEBOPVQFNFX-MELADBBJSA-N 2 0 270.417 1.678 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)C2([NH3+])CC3(CCC3)C2)C1 ZINC000662673449 413291237 /nfs/dbraw/zinc/29/12/37/413291237.db2.gz KRFGNJSVSFVRBV-CYBMUJFWSA-N 2 0 279.428 1.591 10 0 CDAERP O=C(C[C@H]1CC[NH2+]C1)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000662684896 413312098 /nfs/dbraw/zinc/31/20/98/413312098.db2.gz LHFZZPOGGDOIOO-IUODEOHRSA-N 2 0 289.379 1.286 10 0 CDAERP O=C(C[NH2+]CC1CC1)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000662687436 413316619 /nfs/dbraw/zinc/31/66/19/413316619.db2.gz XZCYQDNGAORUIA-OAHLLOKOSA-N 2 0 289.379 1.286 10 0 CDAERP CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000662689457 413317771 /nfs/dbraw/zinc/31/77/71/413317771.db2.gz VDESXRUIHZNQDH-CQDKDKBSSA-N 2 0 291.395 1.659 10 0 CDAERP [NH3+][C@@H](c1cn([C@H]2CCC[NH2+]C2)nn1)c1ccc(F)cc1 ZINC000656467758 413323709 /nfs/dbraw/zinc/32/37/09/413323709.db2.gz RUPUYBQPHHSBDJ-GXTWGEPZSA-N 2 0 275.331 1.390 10 0 CDAERP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)CC2([NH3+])CC2)C1 ZINC000662696359 413333132 /nfs/dbraw/zinc/33/31/32/413333132.db2.gz XZSYOADAQCWQDK-CHWSQXEVSA-N 2 0 281.444 1.741 10 0 CDAERP COC(=O)[C@@H](C1CC1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000359601180 158305702 /nfs/dbraw/zinc/30/57/02/158305702.db2.gz SBUJBLHGOKQGEI-OAHLLOKOSA-N 2 0 282.428 1.992 10 0 CDAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C1C[NH2+]C1 ZINC000364635275 159372392 /nfs/dbraw/zinc/37/23/92/159372392.db2.gz SLQDQUNEHAKXGV-BBRMVZONSA-N 2 0 287.407 1.233 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662734037 413405053 /nfs/dbraw/zinc/40/50/53/413405053.db2.gz XYVHLYGCXXVCNK-GFCCVEGCSA-N 2 0 294.399 1.245 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662750653 413425265 /nfs/dbraw/zinc/42/52/65/413425265.db2.gz WHZLBKWFTKGDLW-UHFFFAOYSA-N 2 0 267.417 1.496 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654569329 413441436 /nfs/dbraw/zinc/44/14/36/413441436.db2.gz GHDILQNAGMZZNX-SOUVJXGZSA-N 2 0 298.475 1.746 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000654590609 413470605 /nfs/dbraw/zinc/47/06/05/413470605.db2.gz GETBCKZDSOMWKK-SOUVJXGZSA-N 2 0 296.459 1.358 10 0 CDAERP C[C@@H](O)CCC[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000336835040 287077381 /nfs/dbraw/zinc/07/73/81/287077381.db2.gz TYMDUECXYNWUOZ-CVEARBPZSA-N 2 0 283.460 1.249 10 0 CDAERP C[C@@H]1CCC[C@H](C(=O)NCC(C)(C)C[NH+](C)C)[NH2+]1 ZINC000019438245 170801134 /nfs/dbraw/zinc/80/11/34/170801134.db2.gz XXZDXVJOUYDAND-VXGBXAGGSA-N 2 0 255.406 1.221 10 0 CDAERP CC[NH+]1CCN(C[C@H]([NH3+])c2ccccc2OC)CC1 ZINC000022566401 171392540 /nfs/dbraw/zinc/39/25/40/171392540.db2.gz HEBSEEZEWWWOOH-AWEZNQCLSA-N 2 0 263.385 1.333 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000653176089 412116849 /nfs/dbraw/zinc/11/68/49/412116849.db2.gz JZCZCUDXMLBYKC-INIZCTEOSA-N 2 0 291.439 1.823 10 0 CDAERP CC[NH2+]Cc1c(N2CC[NH+](C)CC2)nc2sccn12 ZINC000035429614 172198605 /nfs/dbraw/zinc/19/86/05/172198605.db2.gz OUJFPKZDNARJTK-UHFFFAOYSA-N 2 0 279.413 1.257 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000656696858 413574690 /nfs/dbraw/zinc/57/46/90/413574690.db2.gz CZZHTZHNUIBAGM-PMPSAXMXSA-N 2 0 284.444 1.436 10 0 CDAERP C[C@H]1C[C@H](C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C[C@@H](C)C1 ZINC000656705963 413577426 /nfs/dbraw/zinc/57/74/26/413577426.db2.gz MGQBTCQATABYQH-HZMVEIRTSA-N 2 0 297.487 1.257 10 0 CDAERP [NH3+]C[C@H](NCc1ccc2c(c1)C[NH2+]CC2)C(F)(F)F ZINC000656784755 413653447 /nfs/dbraw/zinc/65/34/47/413653447.db2.gz CDGIQOYLURFXOR-LBPRGKRZSA-N 2 0 273.302 1.312 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)c1coc(C[NH3+])c1 ZINC000664719790 413616549 /nfs/dbraw/zinc/61/65/49/413616549.db2.gz ZRLIEYNVYOBFRB-UHFFFAOYSA-N 2 0 267.373 1.589 10 0 CDAERP CC[NH+](CC)CCNC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659423858 413805716 /nfs/dbraw/zinc/80/57/16/413805716.db2.gz OHEHFOKSLHXBHJ-GFCCVEGCSA-N 2 0 258.410 1.001 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NCCC[NH+]1CCCCC1 ZINC000659431494 413812545 /nfs/dbraw/zinc/81/25/45/413812545.db2.gz LIBWBUBZOPGZMS-CQSZACIVSA-N 2 0 284.448 1.535 10 0 CDAERP C[NH2+]C[C@@H](C)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659365704 413750212 /nfs/dbraw/zinc/75/02/12/413750212.db2.gz HUVUFZOTECKKIX-RISCZKNCSA-N 2 0 277.368 1.142 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000659520046 413918105 /nfs/dbraw/zinc/91/81/05/413918105.db2.gz NETZUUDMAKRCFJ-KGLIPLIRSA-N 2 0 278.400 1.359 10 0 CDAERP CC1CC[NH+](CCCNC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)CC1 ZINC000407360476 413940981 /nfs/dbraw/zinc/94/09/81/413940981.db2.gz HFMIHPGFZAXICT-HZPDHXFCSA-N 2 0 293.455 1.755 10 0 CDAERP CC[C@@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)[C@@H]1CCC[NH2+]1 ZINC000665235060 413963671 /nfs/dbraw/zinc/96/36/71/413963671.db2.gz OZVJYJNDIBMBFX-OLZOCXBDSA-N 2 0 288.457 1.322 10 0 CDAERP COC[C@H](CC[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+])OC ZINC000665234912 413964126 /nfs/dbraw/zinc/96/41/26/413964126.db2.gz MGMFBTZEUBOMBK-VNQPRFMTSA-N 2 0 280.412 1.586 10 0 CDAERP COC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)C1CCOCC1 ZINC000665236106 413964988 /nfs/dbraw/zinc/96/49/88/413964988.db2.gz HMGOOTBTXNOILN-MCIONIFRSA-N 2 0 256.390 1.288 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+]C(C2CC2)C2CC2)CC1 ZINC000665287882 414026569 /nfs/dbraw/zinc/02/65/69/414026569.db2.gz XIEUUODUDQWMJW-UHFFFAOYSA-N 2 0 293.455 1.755 10 0 CDAERP Cc1ncsc1[C@@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000037229197 173049094 /nfs/dbraw/zinc/04/90/94/173049094.db2.gz SXTFSYQZBVTFNL-GFCCVEGCSA-N 2 0 282.457 1.740 10 0 CDAERP CC[NH+]1CCC([C@@H](C)[NH2+]C2CCN(C)CC2)CC1 ZINC000037266961 173076194 /nfs/dbraw/zinc/07/61/94/173076194.db2.gz YRBAOEUUBABUBZ-CYBMUJFWSA-N 2 0 253.434 1.791 10 0 CDAERP O=C1CCCN1CCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657292843 414124687 /nfs/dbraw/zinc/12/46/87/414124687.db2.gz QNHJKIOGVQNYOZ-UHFFFAOYSA-N 2 0 299.378 1.369 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000661490515 414125589 /nfs/dbraw/zinc/12/55/89/414125589.db2.gz NDBZSDFXQRGCOW-KFWWJZLASA-N 2 0 252.402 1.829 10 0 CDAERP CN(C)C(=O)CCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657332952 414168712 /nfs/dbraw/zinc/16/87/12/414168712.db2.gz VLRVLCHNCXQZMK-UHFFFAOYSA-N 2 0 287.367 1.225 10 0 CDAERP CO[C@@](C)(CO)C[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000655807631 414203760 /nfs/dbraw/zinc/20/37/60/414203760.db2.gz LZPXVEHELZLFIN-OAHLLOKOSA-N 2 0 290.367 1.063 10 0 CDAERP CCc1nncn1CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657380137 414258342 /nfs/dbraw/zinc/25/83/42/414258342.db2.gz GOJHHTGBVYSWJR-UHFFFAOYSA-N 2 0 297.366 1.211 10 0 CDAERP c1cc(C[NH2+][C@@H]2CCc3c[nH]nc3C2)n(-c2cc[nH+]cc2)n1 ZINC000657394985 414281358 /nfs/dbraw/zinc/28/13/58/414281358.db2.gz YDTKBGTYPYTCOF-CYBMUJFWSA-N 2 0 294.362 1.638 10 0 CDAERP C[C@@H]1CCN(Cc2nc3c(s2)C[NH2+]CC3)C[C@H]1C[NH3+] ZINC000663496503 414292516 /nfs/dbraw/zinc/29/25/16/414292516.db2.gz HGBHOYWICDNEDD-GHMZBOCLSA-N 2 0 280.441 1.206 10 0 CDAERP c1nn2c(c1C[NH2+]CC1CC[NH+](C3CC3)CC1)CCC2 ZINC000657450689 414339169 /nfs/dbraw/zinc/33/91/69/414339169.db2.gz YRHJHKNCNYAQMG-UHFFFAOYSA-N 2 0 274.412 1.793 10 0 CDAERP C[C@@H]1CCC[C@]1(O)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657475707 414373449 /nfs/dbraw/zinc/37/34/49/414373449.db2.gz DBCWUUGZLNPDDV-CJNGLKHVSA-N 2 0 286.379 1.908 10 0 CDAERP c1nc2n(c1C[NH2+]Cc1ccc3c[nH+]cn3c1)CCC2 ZINC000657488099 414387658 /nfs/dbraw/zinc/38/76/58/414387658.db2.gz LDXYECFKRJEVEB-UHFFFAOYSA-N 2 0 267.336 1.767 10 0 CDAERP Cn1cncc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657536010 414421972 /nfs/dbraw/zinc/42/19/72/414421972.db2.gz WLCBGQPVSOFJLY-UHFFFAOYSA-N 2 0 292.427 1.401 10 0 CDAERP CCN(C(=O)NC[C@H]1CC[NH+](C2CC2)C1)[C@H]1CC[N@H+](C)C1 ZINC000663682834 414404737 /nfs/dbraw/zinc/40/47/37/414404737.db2.gz IZLPRXKPLNHGAB-HIFRSBDPSA-N 2 0 294.443 1.206 10 0 CDAERP CC(C)CC1([NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000662071007 414497226 /nfs/dbraw/zinc/49/72/26/414497226.db2.gz XLQGZDAHGITYBO-UHFFFAOYSA-N 2 0 293.455 1.898 10 0 CDAERP C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662250077 414585056 /nfs/dbraw/zinc/58/50/56/414585056.db2.gz XKEDLPGTCLCHPZ-CQSZACIVSA-N 2 0 264.344 1.779 10 0 CDAERP CCCC[N@H+](CCO)Cc1cccc2c1CC[NH2+]C2 ZINC000662250078 414585322 /nfs/dbraw/zinc/58/53/22/414585322.db2.gz XLJZENRNBPZPID-UHFFFAOYSA-N 2 0 262.397 1.927 10 0 CDAERP CO[C@H](C)C[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C(C)C ZINC000662256272 414592432 /nfs/dbraw/zinc/59/24/32/414592432.db2.gz KBTGOSQLPSRPKN-CHWSQXEVSA-N 2 0 256.390 1.253 10 0 CDAERP CO[C@H](C)C[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C(C)C ZINC000662256274 414593757 /nfs/dbraw/zinc/59/37/57/414593757.db2.gz KBTGOSQLPSRPKN-OLZOCXBDSA-N 2 0 256.390 1.253 10 0 CDAERP C([C@@H]1CCCN(C[C@@H]2C[NH2+]CCO2)C1)[NH+]1CCCCCC1 ZINC000662262900 414601046 /nfs/dbraw/zinc/60/10/46/414601046.db2.gz YADQJSBOLXHWJM-IRXDYDNUSA-N 2 0 295.471 1.563 10 0 CDAERP Clc1cccc([C@@H]2C[NH2+]CCN2C[C@H]2C[NH2+]CCO2)c1 ZINC000662273704 414605014 /nfs/dbraw/zinc/60/50/14/414605014.db2.gz YSIQZIMDCMZSJR-CABCVRRESA-N 2 0 295.814 1.275 10 0 CDAERP CCO[C@@H]1C[N@H+](C[C@H](OC)C2CCCC2)C[C@H]1C[NH3+] ZINC000662286583 414616124 /nfs/dbraw/zinc/61/61/24/414616124.db2.gz QWVNQSNKASMYFF-QLFBSQMISA-N 2 0 270.417 1.487 10 0 CDAERP Cc1ccc(OCC[N@@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662248562 414583068 /nfs/dbraw/zinc/58/30/68/414583068.db2.gz FWEXGQQHOZXHEN-MRXNPFEDSA-N 2 0 290.407 1.827 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)[C@H]([NH3+])C(C)C)CC1 ZINC000038100751 174115298 /nfs/dbraw/zinc/11/52/98/174115298.db2.gz VVGOHZLAWHTDBR-CYBMUJFWSA-N 2 0 255.406 1.303 10 0 CDAERP C[C@@H](c1cccs1)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508139 174302510 /nfs/dbraw/zinc/30/25/10/174302510.db2.gz VFFZSYQBSCUFNB-QWHCGFSZSA-N 2 0 293.436 1.705 10 0 CDAERP C[C@@H]1CCC[C@@H](C(=O)N2CCC([NH+]3CCCCC3)CC2)[NH2+]1 ZINC000040694373 174377716 /nfs/dbraw/zinc/37/77/16/174377716.db2.gz PVDVLPIMVZRUSO-ZBFHGGJFSA-N 2 0 293.455 1.994 10 0 CDAERP CCC[N@H+](CCN1C(=O)CCC1=O)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748610 174393579 /nfs/dbraw/zinc/39/35/79/174393579.db2.gz QNZSBUQTLYCQHX-PBWFPOADSA-N 2 0 293.411 1.130 10 0 CDAERP CC[C@H]([NH3+])[C@@H](c1ccccn1)N1CC[NH+](CC2CC2)CC1 ZINC000043340189 175014127 /nfs/dbraw/zinc/01/41/27/175014127.db2.gz PBJKYBGXDCVKKN-RDJZCZTQSA-N 2 0 288.439 1.888 10 0 CDAERP CC(C)CN(CC[NH+](C)C)[C@@H](c1cccnc1)[C@@H](C)[NH3+] ZINC000043348610 175018550 /nfs/dbraw/zinc/01/85/50/175018550.db2.gz OBLBFNHZTUCFDN-GDBMZVCRSA-N 2 0 278.444 1.990 10 0 CDAERP CC[NH+]1CCN([C@@H](C[NH3+])c2cc(C)cc(C)c2)CC1 ZINC000043393890 175034747 /nfs/dbraw/zinc/03/47/47/175034747.db2.gz VOAMWHOWKVZFPG-INIZCTEOSA-N 2 0 261.413 1.941 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000043588432 175072711 /nfs/dbraw/zinc/07/27/11/175072711.db2.gz JHWDQLFNHVJBMF-CABCVRRESA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)[C@@H](CNC(=O)[C@@H]1[NH2+]CCc2ccccc21)[NH+](C)C ZINC000043595770 175076501 /nfs/dbraw/zinc/07/65/01/175076501.db2.gz YODSFAPDLYBELZ-HZPDHXFCSA-N 2 0 289.423 1.576 10 0 CDAERP C[NH2+][C@H]1c2ccc(OC)cc2CC[C@@H]1N1CC[NH+](C)CC1 ZINC000043810608 175109712 /nfs/dbraw/zinc/10/97/12/175109712.db2.gz GWHBUCVTZPLUCJ-IRXDYDNUSA-N 2 0 289.423 1.518 10 0 CDAERP CC[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1OCC ZINC000043810817 175110186 /nfs/dbraw/zinc/11/01/86/175110186.db2.gz WBEVIWRIMUDLJJ-MRXNPFEDSA-N 2 0 291.439 1.983 10 0 CDAERP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N1CCC[N@H+](C)CC1 ZINC000043818314 175112956 /nfs/dbraw/zinc/11/29/56/175112956.db2.gz PMUXZZKAWLOPRF-KKUMJFAQSA-N 2 0 253.434 1.791 10 0 CDAERP CCC[NH2+][C@H]1CCOC[C@H]1N1CCC([NH+](C)C)CC1 ZINC000043897579 175120675 /nfs/dbraw/zinc/12/06/75/175120675.db2.gz ZPHURXHMWORJQW-LSDHHAIUSA-N 2 0 269.433 1.170 10 0 CDAERP CC[NH2+][C@H]1CCCC[C@H]1N1CC[NH+](C2CC2)CC1 ZINC000043967729 175129101 /nfs/dbraw/zinc/12/91/01/175129101.db2.gz WTMGTIBMSOJHCR-LSDHHAIUSA-N 2 0 251.418 1.687 10 0 CDAERP CCC[NH2+][C@H](C)CC[N@H+](CCCOC)CCOC ZINC000043971106 175132108 /nfs/dbraw/zinc/13/21/08/175132108.db2.gz OAGSGIDTJFFVQP-CQSZACIVSA-N 2 0 260.422 1.750 10 0 CDAERP [NH3+]C[C@H]1CCC[N@@H+](C2CCC3(CC2)OCCO3)C1 ZINC000044527600 175192452 /nfs/dbraw/zinc/19/24/52/175192452.db2.gz LDSWUXVWQMCFOQ-GFCCVEGCSA-N 2 0 254.374 1.343 10 0 CDAERP C[C@@H](C(=O)N1CCCC[C@@H]1C[NH3+])[NH+]1[C@@H](C)CC[C@@H]1C ZINC000044540783 175201311 /nfs/dbraw/zinc/20/13/11/175201311.db2.gz BQLXDLJVQMBHSB-XDQVBPFNSA-N 2 0 267.417 1.588 10 0 CDAERP C[C@@H]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC[C@H](C)[NH2+]1 ZINC000044564221 175207644 /nfs/dbraw/zinc/20/76/44/175207644.db2.gz JXJJIPTYABBJFM-ZNMIVQPWSA-N 2 0 253.434 1.933 10 0 CDAERP CCC[C@@H](C[NH3+])C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000044803566 175255954 /nfs/dbraw/zinc/25/59/54/175255954.db2.gz ONTXROYJACNGBC-AWEZNQCLSA-N 2 0 281.444 1.838 10 0 CDAERP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]CCCCn1ccnc1)C2 ZINC000045094438 175306723 /nfs/dbraw/zinc/30/67/23/175306723.db2.gz UIJPUUQZENTZDI-GOOCMWNKSA-N 2 0 262.401 1.878 10 0 CDAERP CC(C)[NH2+][C@](C)(CCN1CC[NH+](C(C)(C)C)CC1)C(N)=O ZINC000045279764 175350337 /nfs/dbraw/zinc/35/03/37/175350337.db2.gz BPWBICZGFYGQGO-MRXNPFEDSA-N 2 0 298.475 1.035 10 0 CDAERP CC(C)[NH2+][C@@](C)(CCCC[N@@H+]1CCOC[C@@H]1C)C(N)=O ZINC000045389548 175373699 /nfs/dbraw/zinc/37/36/99/175373699.db2.gz WGXRYIGQBADWGT-ZFWWWQNUSA-N 2 0 285.432 1.119 10 0 CDAERP CC[NH2+][C@](C)(CCC[N@H+](CC)C1CCCC1)C(N)=O ZINC000045390634 175375025 /nfs/dbraw/zinc/37/50/25/175375025.db2.gz FJNLAWQIMJKHEW-OAHLLOKOSA-N 2 0 269.433 1.885 10 0 CDAERP CC(C)[NH2+][C@@](C)(CCCN1CCC([NH+](C)C)CC1)C(N)=O ZINC000045392576 175375837 /nfs/dbraw/zinc/37/58/37/175375837.db2.gz BGUMLPSBAQIHHE-INIZCTEOSA-N 2 0 298.475 1.035 10 0 CDAERP CC(C)[C@@H]1C[C@](C[NH3+])(N(C)CC[NH+]2CCCC2)CCO1 ZINC000070366384 175896078 /nfs/dbraw/zinc/89/60/78/175896078.db2.gz ZSRNUUXEHDWJKT-JKSUJKDBSA-N 2 0 283.460 1.547 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)N1CCC[C@H]([NH2+]C(C)C)C1=O ZINC000071032013 176022895 /nfs/dbraw/zinc/02/28/95/176022895.db2.gz POHSYDBXDGXRGC-CABCVRRESA-N 2 0 283.460 1.952 10 0 CDAERP CCC[NH2+][C@@H]1CCCN([C@H]2C[NH+]3CCC2CC3)C1=O ZINC000071032866 176023462 /nfs/dbraw/zinc/02/34/62/176023462.db2.gz LJNYCSPDSVVULY-KGLIPLIRSA-N 2 0 265.401 1.071 10 0 CDAERP CC[NH+](CC)C[C@H](C)N1CCC[C@@H]([NH2+]C(C)C)C1=O ZINC000071034752 176024619 /nfs/dbraw/zinc/02/46/19/176024619.db2.gz DMGQYYRDUNRQBM-UONOGXRCSA-N 2 0 269.433 1.706 10 0 CDAERP CC(C)[NH2+][C@H]1CCCN(C[C@@H]2CC[N@@H+](C(C)C)C2)C1=O ZINC000071035259 176024883 /nfs/dbraw/zinc/02/48/83/176024883.db2.gz LXKCLKVKCAGNLR-CABCVRRESA-N 2 0 281.444 1.706 10 0 CDAERP CCC[NH2+][C@H]1CCCN(CC[NH+](CC)CC)C1=O ZINC000071035483 176025619 /nfs/dbraw/zinc/02/56/19/176025619.db2.gz BNCYIYSWAGJMQQ-ZDUSSCGKSA-N 2 0 255.406 1.319 10 0 CDAERP CC[C@H]1CCCC[C@]1(C[NH3+])N1CC[C@H]([NH+](C)C)C1 ZINC000071162207 176046248 /nfs/dbraw/zinc/04/62/48/176046248.db2.gz XEWXKDCXWCRKCD-SOUVJXGZSA-N 2 0 253.434 1.920 10 0 CDAERP CN(CC(=O)Nc1cc(N)ccc1F)C[C@@H]1CC[N@H+](C)C1 ZINC000071187653 176060643 /nfs/dbraw/zinc/06/06/43/176060643.db2.gz VOPLOZDMRUHRBA-LLVKDONJSA-N 2 0 294.374 1.230 10 0 CDAERP CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1ccc(C[NH3+])cc1 ZINC000071188022 176061671 /nfs/dbraw/zinc/06/16/71/176061671.db2.gz QDDVACFYHSBLEN-ZDUSSCGKSA-N 2 0 261.369 1.169 10 0 CDAERP Cc1ccc([C@H](C[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000071187939 176062055 /nfs/dbraw/zinc/06/20/55/176062055.db2.gz BMYRZJMTIXDKDR-ZBFHGGJFSA-N 2 0 261.413 1.878 10 0 CDAERP CCC[NH2+][C@H]1CCOC[C@@H]1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189047 176064932 /nfs/dbraw/zinc/06/49/32/176064932.db2.gz ZNZCPPDZNGMGQV-ILXRZTDVSA-N 2 0 269.433 1.027 10 0 CDAERP C[N@H+](CCC[C@@](C)([NH2+]C1CC1)C(=O)[O-])C[C@@H]1CC[NH+](C)C1 ZINC000071190902 176067695 /nfs/dbraw/zinc/06/76/95/176067695.db2.gz MFPLQHLTDUKQMO-XJKSGUPXSA-N 2 0 297.443 1.245 10 0 CDAERP C[N@H+](C[C@@H]1CC[NH+](C)C1)C[C@@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1 ZINC000071192062 176073295 /nfs/dbraw/zinc/07/32/95/176073295.db2.gz RGXIVOGMHHYZNV-PMPSAXMXSA-N 3 0 297.487 1.806 10 0 CDAERP C[C@@H]1C[C@@H]([NH3+])CC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071193291 176075174 /nfs/dbraw/zinc/07/51/74/176075174.db2.gz GMHJRIXZEMUIOC-MQYQWHSLSA-N 2 0 267.417 1.160 10 0 CDAERP C[C@H](CN1CC[C@H]([NH2+]C2CC2)C1)[NH+]1CCCCC1 ZINC000071201177 176077676 /nfs/dbraw/zinc/07/76/76/176077676.db2.gz ADCIXXVSSBBLCB-HIFRSBDPSA-N 2 0 251.418 1.687 10 0 CDAERP C[C@@H]1CCC[NH2+][C@H]1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000071379408 176143545 /nfs/dbraw/zinc/14/35/45/176143545.db2.gz WZOSGGHGQPJOBG-TZMCWYRMSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)(O)C[NH+]1CCN([C@@H](C[NH3+])c2ccccc2)CC1 ZINC000071380216 176144138 /nfs/dbraw/zinc/14/41/38/176144138.db2.gz VXYFFUDRYYERJB-HNNXBMFYSA-N 2 0 277.412 1.075 10 0 CDAERP CC(C)[C@@H](CC[NH3+])CCC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000079278683 177462465 /nfs/dbraw/zinc/46/24/65/177462465.db2.gz PMHYTLVZUSEVHS-KGLIPLIRSA-N 2 0 269.433 1.550 10 0 CDAERP CC1(C)CC[C@H]([NH3+])[C@@H](N2CC[NH+](C3CC3)CC2)C1 ZINC000079623654 177527888 /nfs/dbraw/zinc/52/78/88/177527888.db2.gz RJEBYPVKBWOREG-KBPBESRZSA-N 2 0 251.418 1.672 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000066531548 287389167 /nfs/dbraw/zinc/38/91/67/287389167.db2.gz KROZQEARCRVZIN-ZIAGYGMSSA-N 2 0 293.455 1.992 10 0 CDAERP CCCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001666553660 1173150263 /nfs/dbraw/zinc/15/02/63/1173150263.db2.gz WLRMWUSZTBCDAG-BFHYXJOUSA-N 2 0 269.433 1.469 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001666903419 1173204547 /nfs/dbraw/zinc/20/45/47/1173204547.db2.gz SDCMCVKETXXUMW-ZBFHGGJFSA-N 2 0 295.471 1.811 10 0 CDAERP C[C@@H]1CSC[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000397851168 270351963 /nfs/dbraw/zinc/35/19/63/270351963.db2.gz UTAOZAUHDPJLHL-UPJWGTAASA-N 2 0 258.431 1.174 10 0 CDAERP C(c1nc2c(s1)C[NH2+]CC2)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000663492805 423883897 /nfs/dbraw/zinc/88/38/97/423883897.db2.gz BLROTRXNYHFTRE-HNNXBMFYSA-N 2 0 292.452 1.364 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)NCCC1(C[NH3+])CC1 ZINC000652193519 424015218 /nfs/dbraw/zinc/01/52/18/424015218.db2.gz LRRFAQDIZGUFLO-CYBMUJFWSA-N 2 0 284.448 1.535 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000659536919 423981975 /nfs/dbraw/zinc/98/19/75/423981975.db2.gz PPLYQMDDJTUMJF-AGIUHOORSA-N 2 0 282.432 1.156 10 0 CDAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655246931 424092543 /nfs/dbraw/zinc/09/25/43/424092543.db2.gz PZHZUKBWVMMKEO-XDQVBPFNSA-N 2 0 267.417 1.316 10 0 CDAERP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCC1(C[NH3+])CC1 ZINC000652237899 424103665 /nfs/dbraw/zinc/10/36/65/424103665.db2.gz JMYARJMTMMMAKM-ZDUSSCGKSA-N 2 0 296.459 1.487 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000652222596 424100006 /nfs/dbraw/zinc/10/00/06/424100006.db2.gz SMTGQBLUUIALLY-HNNXBMFYSA-N 2 0 298.475 1.796 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)NCCC1CC[NH2+]CC1 ZINC000653273216 424207360 /nfs/dbraw/zinc/20/73/60/424207360.db2.gz SYMOFQMWHKKLON-ZDUSSCGKSA-N 2 0 267.417 1.271 10 0 CDAERP CC(C)[NH2+]CCCNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653048553 424165144 /nfs/dbraw/zinc/16/51/44/424165144.db2.gz IEANPOYGLRPUMS-CHWSQXEVSA-N 2 0 253.390 1.021 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)COC2CCC([NH3+])CC2)C1 ZINC000662621124 424241802 /nfs/dbraw/zinc/24/18/02/424241802.db2.gz DUYAVBUJZWAVAT-ROKHWSDSSA-N 2 0 297.443 1.262 10 0 CDAERP c1nncn1CC1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000652353465 424287113 /nfs/dbraw/zinc/28/71/13/424287113.db2.gz LBYLNBJYESDDEF-UHFFFAOYSA-N 2 0 291.443 1.770 10 0 CDAERP COCCC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652363400 424314598 /nfs/dbraw/zinc/31/45/98/424314598.db2.gz DALFQOJDNSFJPD-MGPQQGTHSA-N 2 0 256.390 1.384 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662754236 424403678 /nfs/dbraw/zinc/40/36/78/424403678.db2.gz HVJOSVQWZKEJSR-KOLCDFICSA-N 2 0 292.383 1.081 10 0 CDAERP C(CC[NH+]1CCOCC1)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000121248335 424456793 /nfs/dbraw/zinc/45/67/93/424456793.db2.gz UHDZPJYNNVHAID-XHSDSOJGSA-N 2 0 294.439 1.646 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC[C@H](C)SC1 ZINC000655713132 424483530 /nfs/dbraw/zinc/48/35/30/424483530.db2.gz VYGOEJBVKRIKPC-RDBSUJKOSA-N 2 0 271.474 1.496 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCc2cc(N)ccc21 ZINC000665273037 424486783 /nfs/dbraw/zinc/48/67/83/424486783.db2.gz PFJOVXBAPSSWRE-ZFWWWQNUSA-N 2 0 263.385 1.600 10 0 CDAERP CCC[C@](C)([NH3+])C(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655489410 424506685 /nfs/dbraw/zinc/50/66/85/424506685.db2.gz QMWVZYALMKDTOD-XPCVCDNBSA-N 2 0 285.432 1.118 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])C1 ZINC000655488753 424508848 /nfs/dbraw/zinc/50/88/48/424508848.db2.gz FXVZSKAOMXKNEI-QVHKTLOISA-N 2 0 267.417 1.350 10 0 CDAERP OCC1(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000652037324 424618398 /nfs/dbraw/zinc/61/83/98/424618398.db2.gz MFYACDYPTAXISI-UONOGXRCSA-N 2 0 252.402 1.756 10 0 CDAERP CCCn1ncnc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000311742513 270322831 /nfs/dbraw/zinc/32/28/31/270322831.db2.gz SZJIQAFVPFDOND-BETUJISGSA-N 2 0 263.389 1.120 10 0 CDAERP C(C[C@@H]1CCCOC1)[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000530206509 271150580 /nfs/dbraw/zinc/15/05/80/271150580.db2.gz AEMBZHLBUJMYBV-YHUYYLMFSA-N 2 0 282.428 1.550 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000250065452 276004655 /nfs/dbraw/zinc/00/46/55/276004655.db2.gz YFKFTXDAHHDUFC-BMFZPTHFSA-N 2 0 293.455 1.898 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000261571937 276167149 /nfs/dbraw/zinc/16/71/49/276167149.db2.gz SFGQTULMDIEJHB-CHWSQXEVSA-N 2 0 267.417 1.365 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)C1CC1 ZINC000340726062 276259145 /nfs/dbraw/zinc/25/91/45/276259145.db2.gz GFZFLSKRMQKKHJ-GXTWGEPZSA-N 2 0 267.417 1.460 10 0 CDAERP C(C[NH+]1CCCCCC1)N[C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422801432 276805736 /nfs/dbraw/zinc/80/57/36/276805736.db2.gz BXGCVYWWKQPBSK-HZPDHXFCSA-N 2 0 281.444 1.219 10 0 CDAERP CC(C)(C)[C@@H](C[NH3+])NC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000417827975 277224274 /nfs/dbraw/zinc/22/42/74/277224274.db2.gz DZFVBQDTXJMVSO-OAHLLOKOSA-N 2 0 289.423 1.478 10 0 CDAERP CC(C)(C)[C@H]([NH3+])C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000040468764 277247943 /nfs/dbraw/zinc/24/79/43/277247943.db2.gz AGKDQSRLQDTUMC-CQSZACIVSA-N 2 0 281.444 1.694 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000055088822 277379951 /nfs/dbraw/zinc/37/99/51/277379951.db2.gz FPORNEYWNSZHMK-KBPBESRZSA-N 2 0 269.433 1.550 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000261657311 278221148 /nfs/dbraw/zinc/22/11/48/278221148.db2.gz WSAOHRGQPYZDQE-MGPQQGTHSA-N 2 0 279.428 1.508 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000193308119 278224902 /nfs/dbraw/zinc/22/49/02/278224902.db2.gz JMQVJOIVBMLZJT-ZDUSSCGKSA-N 2 0 267.417 1.591 10 0 CDAERP CC(C)(C)C1CCC([NH2+]C[C@@H]2C[NH2+]C[C@H]2O)CC1 ZINC000263319166 278301791 /nfs/dbraw/zinc/30/17/91/278301791.db2.gz ZYXVQZROINRHOY-GFJIZPEISA-N 2 0 254.418 1.761 10 0 CDAERP CCCN(C(=O)N[C@H]1CCCC[NH2+]C1)C1CC[NH2+]CC1 ZINC000333716640 278746205 /nfs/dbraw/zinc/74/62/05/278746205.db2.gz TXYNWJSKGNFCMF-ZDUSSCGKSA-N 2 0 282.432 1.302 10 0 CDAERP Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CCC[NH2+]CC3)C2)nn1 ZINC000333328289 278821447 /nfs/dbraw/zinc/82/14/47/278821447.db2.gz VTPWTVPARQZMRX-GJZGRUSLSA-N 2 0 289.427 1.486 10 0 CDAERP CC[NH+](CC)CC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371232631 279087340 /nfs/dbraw/zinc/08/73/40/279087340.db2.gz TYTGUGZMWXPILK-KGLIPLIRSA-N 2 0 267.417 1.319 10 0 CDAERP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](C)C[C@H](C)[C@@H]2C)CC1 ZINC000355791871 279259860 /nfs/dbraw/zinc/25/98/60/279259860.db2.gz XYJWBQZWRIFOMP-ILXRZTDVSA-N 2 0 295.471 1.953 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[NH+](C)C2)C1 ZINC000108561994 279308571 /nfs/dbraw/zinc/30/85/71/279308571.db2.gz KZQHPMWADMDLNC-KBPBESRZSA-N 2 0 282.432 1.112 10 0 CDAERP CCC(CC)C[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001668381920 1173406358 /nfs/dbraw/zinc/40/63/58/1173406358.db2.gz OABIVBKHPQBZEA-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP [NH3+]CCCCCCC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000371232434 279625512 /nfs/dbraw/zinc/62/55/12/279625512.db2.gz SFYYHSKJGVPMCX-LSDHHAIUSA-N 2 0 281.444 1.886 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CCC(C)CC2)C1 ZINC000194145946 280025499 /nfs/dbraw/zinc/02/54/99/280025499.db2.gz XTYSXNGYQWQMRJ-OAHLLOKOSA-N 2 0 296.459 1.502 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000195128231 280071199 /nfs/dbraw/zinc/07/11/99/280071199.db2.gz KZODWGUZOFCZSH-KBPBESRZSA-N 2 0 282.432 1.254 10 0 CDAERP CC(C)[C@H](Cn1cccn1)[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000423397882 280271191 /nfs/dbraw/zinc/27/11/91/280271191.db2.gz ONVDXOFHSYPPEW-IHRRRGAJSA-N 2 0 250.390 1.495 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000522138292 281087487 /nfs/dbraw/zinc/08/74/87/281087487.db2.gz ZPIVJEAMWXVGCD-MCIONIFRSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000418584501 288321035 /nfs/dbraw/zinc/32/10/35/288321035.db2.gz CDFQOPITZRQFEY-KFWWJZLASA-N 2 0 294.443 1.254 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000036192192 282050201 /nfs/dbraw/zinc/05/02/01/282050201.db2.gz LYWGCBATCCIEGM-QEJZJMRPSA-N 2 0 279.428 1.460 10 0 CDAERP C[NH+](C)[C@H]1CCN(C(=O)NCC[N@H+](C)C2CCCC2)C1 ZINC000105294791 289382793 /nfs/dbraw/zinc/38/27/93/289382793.db2.gz MDTDGNVHXCXMBV-AWEZNQCLSA-N 2 0 282.432 1.206 10 0 CDAERP C[NH+](C)[C@H]1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000176622822 289383183 /nfs/dbraw/zinc/38/31/83/289383183.db2.gz HHXVRMPUOOIWQS-MCIONIFRSA-N 2 0 282.432 1.205 10 0 CDAERP CN(CCC(=O)NCC[NH+]1CCCCC1)c1cc[nH+]cc1 ZINC000540928737 289470730 /nfs/dbraw/zinc/47/07/30/289470730.db2.gz UDFJONDHIBHWBN-UHFFFAOYSA-N 2 0 290.411 1.510 10 0 CDAERP C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000560888445 293039598 /nfs/dbraw/zinc/03/95/98/293039598.db2.gz QKCZRVBBQBTRKX-BZUAXINKSA-N 2 0 283.460 1.011 10 0 CDAERP C[NH+]1CCC(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)CC1 ZINC000366635870 289869692 /nfs/dbraw/zinc/86/96/92/289869692.db2.gz YFUMRHFNZBGNMJ-HUUCEWRRSA-N 2 0 279.428 1.319 10 0 CDAERP C[C@@H]1CN(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CCO1 ZINC000556869299 290312680 /nfs/dbraw/zinc/31/26/80/290312680.db2.gz GUGXJBRCENYIRN-FPCVCCKLSA-N 2 0 281.444 1.170 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCO[C@@H](CC(C)C)C1 ZINC000423040790 293097635 /nfs/dbraw/zinc/09/76/35/293097635.db2.gz HZKOVDZVOMFUEH-ILXRZTDVSA-N 2 0 272.433 1.924 10 0 CDAERP [NH3+]C[C@@H](C(=O)N1CCC[C@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000562804966 293199336 /nfs/dbraw/zinc/19/93/36/293199336.db2.gz MZLWAFKTVCCSNP-BXUZGUMPSA-N 2 0 279.359 1.065 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000563107313 293276825 /nfs/dbraw/zinc/27/68/25/293276825.db2.gz KKMDGBXMZBZHCE-MRVWCRGKSA-N 2 0 261.369 1.191 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC([NH2+]CC3CC3)CC2)CC[NH2+]1 ZINC000564944884 293466333 /nfs/dbraw/zinc/46/63/33/293466333.db2.gz IRQZHVGMDMNDLR-JSGCOSHPSA-N 2 0 279.428 1.365 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000565479292 293619425 /nfs/dbraw/zinc/61/94/25/293619425.db2.gz TXSRNQRNOGGIIV-KBPBESRZSA-N 2 0 296.459 1.630 10 0 CDAERP COCC1(CC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000565892409 293705744 /nfs/dbraw/zinc/70/57/44/293705744.db2.gz GMWBMYMQULHIOR-RRFJBIMHSA-N 2 0 282.428 1.550 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000570514034 294252880 /nfs/dbraw/zinc/25/28/80/294252880.db2.gz CCFMXLDNJGQZPU-GHMZBOCLSA-N 2 0 295.349 1.647 10 0 CDAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCOC2)[C@@H](C)C1 ZINC000570718613 294295789 /nfs/dbraw/zinc/29/57/89/294295789.db2.gz ATMHQAPTEMDDAN-ARFHVFGLSA-N 2 0 284.444 1.892 10 0 CDAERP [NH3+]C1(CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)CCC1 ZINC000418517864 295206172 /nfs/dbraw/zinc/20/61/72/295206172.db2.gz KKCTVELMMMLLLQ-UHFFFAOYSA-N 2 0 294.443 1.385 10 0 CDAERP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@H]1CCCCN1CCO ZINC000423143943 295296624 /nfs/dbraw/zinc/29/66/24/295296624.db2.gz FQEVZLHGLSOMFA-KFWWJZLASA-N 2 0 269.433 1.083 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C(=O)NCCC[NH+]2CCCCCC2)C1 ZINC000163608661 295322130 /nfs/dbraw/zinc/32/21/30/295322130.db2.gz QEICBNBJPQFFTB-UONOGXRCSA-N 2 0 267.417 1.496 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)[C@H]1C ZINC000414183051 297283746 /nfs/dbraw/zinc/28/37/46/297283746.db2.gz DPLZVHHUMNJWKE-OWCLPIDISA-N 2 0 295.471 1.417 10 0 CDAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000416795471 300325885 /nfs/dbraw/zinc/32/58/85/300325885.db2.gz TYIJGPXSJLKSEI-WCQYABFASA-N 2 0 296.459 1.593 10 0 CDAERP [NH3+]C1CCC(NC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC1 ZINC000262214684 303361729 /nfs/dbraw/zinc/36/17/29/303361729.db2.gz OLGLURPLFJRRQY-LFUGVXIPSA-N 2 0 265.401 1.152 10 0 CDAERP CC(C)CCC[NH2+]C[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001669715322 1173589390 /nfs/dbraw/zinc/58/93/90/1173589390.db2.gz FBGBAVZSJZKRNC-GJZGRUSLSA-N 2 0 283.460 1.859 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@](C)(C[NH2+]CC2CC2)C1 ZINC001671778968 1173710644 /nfs/dbraw/zinc/71/06/44/1173710644.db2.gz AFMLMFFUSTZIBU-OAHLLOKOSA-N 2 0 267.417 1.176 10 0 CDAERP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000575060970 316950140 /nfs/dbraw/zinc/95/01/40/316950140.db2.gz SWHCLAOVQVEMCZ-CJNGLKHVSA-N 2 0 287.407 1.461 10 0 CDAERP O=C(C[NH2+]C1CC1)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000575741050 317004690 /nfs/dbraw/zinc/00/46/90/317004690.db2.gz LEZYQHMSIXWIMT-UHFFFAOYSA-N 2 0 263.316 1.162 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCc2cncn2C1 ZINC000576403062 317132796 /nfs/dbraw/zinc/13/27/96/317132796.db2.gz PLQLJVNFCHYRLQ-ZIAGYGMSSA-N 2 0 290.411 1.436 10 0 CDAERP CN(C(=O)CC[C@@H]1CCCC[N@@H+]1C)[C@H](C[NH3+])C1CC1 ZINC000576822800 317213981 /nfs/dbraw/zinc/21/39/81/317213981.db2.gz NIRJNMDLWMJZFB-UONOGXRCSA-N 2 0 267.417 1.447 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N(CC[NH+](C)C)C2CCCC2)C1 ZINC000577744275 317395438 /nfs/dbraw/zinc/39/54/38/317395438.db2.gz INYWRYDOQHTXIJ-AWEZNQCLSA-N 2 0 281.444 1.661 10 0 CDAERP CC[NH+]1CCC(CC[NH2+][C@H](C)CS(=O)(=O)CC)CC1 ZINC000183031693 323315482 /nfs/dbraw/zinc/31/54/82/323315482.db2.gz JKRLRFVKCNRIKB-CYBMUJFWSA-N 2 0 290.473 1.521 10 0 CDAERP C[C@@H](CCNC(=O)N(C)CCC[NH+](C)C)[NH+]1CCCCC1 ZINC000186776471 323413203 /nfs/dbraw/zinc/41/32/03/323413203.db2.gz DOUTZJMREDYYGC-HNNXBMFYSA-N 2 0 298.475 1.844 10 0 CDAERP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000579228113 324133499 /nfs/dbraw/zinc/13/34/99/324133499.db2.gz XLNHZIVKAATKBO-RRFJBIMHSA-N 2 0 281.444 1.837 10 0 CDAERP [NH3+]CCCOC1CCN(C(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000580072123 324359099 /nfs/dbraw/zinc/35/90/99/324359099.db2.gz NPLHRHOZXCHQGW-UHFFFAOYSA-N 2 0 291.395 1.115 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)C1 ZINC000581835418 324842924 /nfs/dbraw/zinc/84/29/24/324842924.db2.gz ZEOLOIKHKVROOV-XQQFMLRXSA-N 2 0 294.420 1.417 10 0 CDAERP [NH3+]CCN(CCc1ccccc1)C(=O)c1ccnc(C[NH3+])c1 ZINC000583321093 325151987 /nfs/dbraw/zinc/15/19/87/325151987.db2.gz JLGPAOGYJWRJDJ-UHFFFAOYSA-N 2 0 298.390 1.184 10 0 CDAERP C[C@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)[C@H]1CCC[C@@H](C)C1 ZINC000584154211 327051501 /nfs/dbraw/zinc/05/15/01/327051501.db2.gz AJBVXNAFIMUIQE-LTIDMASMSA-N 2 0 297.487 1.399 10 0 CDAERP C[C@H](C[NH2+]CCCF)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001482330703 1160154389 /nfs/dbraw/zinc/15/43/89/1160154389.db2.gz LLANZVKZWDBAJG-QWHCGFSZSA-N 2 0 273.396 1.124 10 0 CDAERP CC(C)[C@H](CNC(=O)CC[NH+](C)C)[NH2+]C[C@@H]1CCCCO1 ZINC001482554132 1160388648 /nfs/dbraw/zinc/38/86/48/1160388648.db2.gz JFJRBGBDDTVMGH-GJZGRUSLSA-N 2 0 299.459 1.238 10 0 CDAERP [NH3+]C1(CC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000398195305 482247058 /nfs/dbraw/zinc/24/70/58/482247058.db2.gz TVQUEOYFXQNISB-HNNXBMFYSA-N 2 0 287.407 1.649 10 0 CDAERP C[NH+](C)CCC[C@H]1C[N@H+](C[C@@H]2CCSC2)CCO1 ZINC000668784654 482312859 /nfs/dbraw/zinc/31/28/59/482312859.db2.gz HGBSQIWAVIDZFM-KBPBESRZSA-N 2 0 272.458 1.782 10 0 CDAERP CC[N@H+](CCNC(=O)C1CCC([NH3+])CC1)C1CC1 ZINC000226397530 482432808 /nfs/dbraw/zinc/43/28/08/482432808.db2.gz MVMWAQGRADPZLO-UHFFFAOYSA-N 2 0 253.390 1.104 10 0 CDAERP C[C@H](CNC(=O)C1CCC([NH3+])CC1)[N@H+](C)C1CC1 ZINC000226398727 482433297 /nfs/dbraw/zinc/43/32/97/482433297.db2.gz WASZITCQCAYHGQ-VOMCLLRMSA-N 2 0 253.390 1.103 10 0 CDAERP CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652337238 482462702 /nfs/dbraw/zinc/46/27/02/482462702.db2.gz XVYJPGGCUWQGEV-OAHLLOKOSA-N 2 0 273.380 1.043 10 0 CDAERP [NH3+]C[C@H](C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000358854453 482479458 /nfs/dbraw/zinc/47/94/58/482479458.db2.gz KCZHVWXXBJNUFO-MJBXVCDLSA-N 2 0 279.359 1.254 10 0 CDAERP CO[C@@H]1CCC[C@@H]([NH2+]CCCN2CCC[N@H+](C)CC2)C1 ZINC000684535544 482598863 /nfs/dbraw/zinc/59/88/63/482598863.db2.gz RGDHRFLGMANANT-HZPDHXFCSA-N 2 0 283.460 1.561 10 0 CDAERP C[NH2+]CCN(C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000417948517 482644827 /nfs/dbraw/zinc/64/48/27/482644827.db2.gz TVUVYNRUPDKVSI-GJZGRUSLSA-N 2 0 290.411 1.293 10 0 CDAERP CO[C@H]1CCC[C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)C1 ZINC000684390824 482788355 /nfs/dbraw/zinc/78/83/55/482788355.db2.gz NFWDXPPHZBWKGM-HOCLYGCPSA-N 2 0 283.460 1.560 10 0 CDAERP C([C@@H]1CC[C@H]2C[C@H]2C1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000403571971 482798342 /nfs/dbraw/zinc/79/83/42/482798342.db2.gz XTKADSIBFDFQJS-QXSJWSMHSA-N 2 0 263.429 1.402 10 0 CDAERP CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000389207468 482810584 /nfs/dbraw/zinc/81/05/84/482810584.db2.gz AYMQSZJFHYEWCG-CQSZACIVSA-N 2 0 261.369 1.359 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)NC/C=C\C[NH3+])c1ccc(F)cc1 ZINC000669398676 482844756 /nfs/dbraw/zinc/84/47/56/482844756.db2.gz PVCBHYXPGWSRTR-VQTKUKTRSA-N 2 0 294.374 1.243 10 0 CDAERP COC[C@H](CC1CCOCC1)[NH2+]CCCC[NH+](C)C ZINC000657859911 482901250 /nfs/dbraw/zinc/90/12/50/482901250.db2.gz YVCAXNKZSGMOCG-HNNXBMFYSA-N 2 0 272.433 1.750 10 0 CDAERP Cc1cc(C)n2c(C[NH2+][C@H]3CCC[NH2+]CC3)cnc2n1 ZINC000666856530 482952056 /nfs/dbraw/zinc/95/20/56/482952056.db2.gz NVNYQTUYPLRSPK-ZDUSSCGKSA-N 2 0 273.384 1.578 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])C1CCCC1 ZINC000089462399 483086647 /nfs/dbraw/zinc/08/66/47/483086647.db2.gz YRYYYCZKKDOWKC-TZMCWYRMSA-N 2 0 267.417 1.352 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000089462236 483088531 /nfs/dbraw/zinc/08/85/31/483088531.db2.gz DZUKQPHVTULUIX-MGPQQGTHSA-N 2 0 267.417 1.304 10 0 CDAERP O=C(C[C@H]1CC[NH2+]C1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000089745389 483129494 /nfs/dbraw/zinc/12/94/94/483129494.db2.gz NXAOBOQXDITZCK-ZIAGYGMSSA-N 2 0 265.401 1.073 10 0 CDAERP Fc1cccn2cc(C[NH2+][C@H]3CC34CC[NH2+]CC4)nc12 ZINC000666952356 483215716 /nfs/dbraw/zinc/21/57/16/483215716.db2.gz SOCJCMNGEABHEW-ZDUSSCGKSA-N 2 0 274.343 1.705 10 0 CDAERP C[NH+](C)CC1CC[NH+](Cc2cnn3c2CCC3)CC1 ZINC000667502052 483320004 /nfs/dbraw/zinc/32/00/04/483320004.db2.gz SBRVOMJBBRJGPX-UHFFFAOYSA-N 2 0 262.401 1.603 10 0 CDAERP c1cc(CN2CC[C@@H]([NH+]3CCCC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667568801 483335778 /nfs/dbraw/zinc/33/57/78/483335778.db2.gz RKGHMGXUMDWOBU-MRXNPFEDSA-N 2 0 297.406 1.937 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)Cc2cnc3n2CCC3)[C@H](C)C1 ZINC000667666269 483375690 /nfs/dbraw/zinc/37/56/90/483375690.db2.gz HODIJRKNYVCSNF-HIFRSBDPSA-N 2 0 276.428 1.991 10 0 CDAERP C([C@H]1CCOC1)[NH+]1CCC([NH2+]C2CSC2)CC1 ZINC000679840628 483450605 /nfs/dbraw/zinc/45/06/05/483450605.db2.gz LMRCFBLXYWFPGX-LLVKDONJSA-N 2 0 256.415 1.192 10 0 CDAERP C[NH+]1CCC(CC[NH2+][C@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667853743 483460880 /nfs/dbraw/zinc/46/08/80/483460880.db2.gz NDTABUHPZYVTMD-HUUCEWRRSA-N 2 0 252.402 1.875 10 0 CDAERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H](C)[NH2+]Cc1ccccn1 ZINC001409451272 1160829441 /nfs/dbraw/zinc/82/94/41/1160829441.db2.gz FOCORENNMMUTRB-ZIAGYGMSSA-N 2 0 290.411 1.160 10 0 CDAERP CCC[NH2+]Cc1cn(CC[N@H+](C)CCC(C)C)nn1 ZINC000052545881 519960549 /nfs/dbraw/zinc/96/05/49/519960549.db2.gz ATIIQQKFKOZIKQ-UHFFFAOYSA-N 2 0 267.421 1.756 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@H](COC2CC[NH+](C)CC2)O1 ZINC000052596859 519982091 /nfs/dbraw/zinc/98/20/91/519982091.db2.gz MQYQBLJEKOWDAP-ZIAGYGMSSA-N 2 0 256.390 1.254 10 0 CDAERP CC[NH2+][C@@](C)(C[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1)C(=O)[O-] ZINC000068632223 520140101 /nfs/dbraw/zinc/14/01/01/520140101.db2.gz MFNGIDRKQZLJAH-CJNGLKHVSA-N 2 0 299.459 1.491 10 0 CDAERP CCOC(=O)[C@](C)(C[C@H](C)[N@H+](C)C[C@@H]1CC[NH+](C)C1)NC ZINC000068646563 521324739 /nfs/dbraw/zinc/32/47/39/521324739.db2.gz XTSCAOYNOTWRBG-LZWOXQAQSA-N 2 0 299.459 1.190 10 0 CDAERP CCC1(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)CC[NH2+]CC1 ZINC000062850346 521659142 /nfs/dbraw/zinc/65/91/42/521659142.db2.gz KKOMOWFAPMWRIV-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP C[NH2+]CC1(C[NH+]2CCC(OC)CC2)CCOCC1 ZINC000052181526 521970494 /nfs/dbraw/zinc/97/04/94/521970494.db2.gz GNLVSHXPRFKYBF-UHFFFAOYSA-N 2 0 256.390 1.113 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001717749469 1180827516 /nfs/dbraw/zinc/82/75/16/1180827516.db2.gz CSFKUHHTNNDJGY-UONOGXRCSA-N 2 0 269.433 1.421 10 0 CDAERP CCC(CC)(CC)C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000571671164 517536924 /nfs/dbraw/zinc/53/69/24/517536924.db2.gz UPBFFWRBZAAYPR-OAHLLOKOSA-N 2 0 285.476 1.401 10 0 CDAERP C(C[NH2+][C@@H]1CCN(C2CC2)C1)CC1CC[NH2+]CC1 ZINC000050953999 518392391 /nfs/dbraw/zinc/39/23/91/518392391.db2.gz IHOLWSKLFTWNCX-CQSZACIVSA-N 2 0 251.418 1.593 10 0 CDAERP C([NH2+]C1CC1)[C@@H]1CC[C@@H](CN2CC[NH+](CC3CC3)CC2)O1 ZINC000052372527 518398545 /nfs/dbraw/zinc/39/85/45/518398545.db2.gz QGDBNZCFSTXVRF-IRXDYDNUSA-N 2 0 293.455 1.314 10 0 CDAERP CC(C)(C)[NH2+]C[C@@]1(CN2CC[NH+](C3CC3)CC2)CCOC1 ZINC000051285217 518760634 /nfs/dbraw/zinc/76/06/34/518760634.db2.gz HJUJSQCRTKYUSC-QGZVFWFLSA-N 2 0 295.471 1.561 10 0 CDAERP CC(C)NC(=O)CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150749303 519702799 /nfs/dbraw/zinc/70/27/99/519702799.db2.gz UAEWIHMRCHTKOR-CQSZACIVSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)[NH2+]C[C@H]1CC[C@H](C[N@@H+]2CCOCC2(C)C)O1 ZINC000052546192 519725808 /nfs/dbraw/zinc/72/58/08/519725808.db2.gz RHWSYQXYAHCNJT-ZIAGYGMSSA-N 2 0 270.417 1.643 10 0 CDAERP CC(C)[NH2+]Cc1cn(CC[NH+]2C[C@@H](C)C[C@H](C)C2)nn1 ZINC000052420719 519728670 /nfs/dbraw/zinc/72/86/70/519728670.db2.gz SVYSJDKRDNSRQW-KBPBESRZSA-N 2 0 279.432 1.754 10 0 CDAERP CC(C)[NH2+][C@](C)(C[C@@H](C)N1CCC([NH+](C)C)CC1)C(N)=O ZINC000068625376 519739738 /nfs/dbraw/zinc/73/97/38/519739738.db2.gz IVAFEPUNSYQYCE-CZUORRHYSA-N 2 0 298.475 1.033 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CC[C@H](C[NH+]2CCN(C3CC3)CC2)O1 ZINC000052371408 519745110 /nfs/dbraw/zinc/74/51/10/519745110.db2.gz ROJIRVDDHRMFJG-DLBZAZTESA-N 2 0 295.471 1.560 10 0 CDAERP CC(C)C[NH2+]C[C@H](C(C)C)N1CCC[N@H+](C)CC1 ZINC000052424059 519745891 /nfs/dbraw/zinc/74/58/91/519745891.db2.gz WOLCAFBHRBQUGL-OAHLLOKOSA-N 2 0 255.450 1.894 10 0 CDAERP CCC[NH+]1CCC(NC(=O)C[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000055141550 519844817 /nfs/dbraw/zinc/84/48/17/519844817.db2.gz IKCPQRXGJKYWNY-UONOGXRCSA-N 2 0 281.444 1.885 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)N1CCC([NH+](CC)CC)CC1 ZINC000061266132 519960440 /nfs/dbraw/zinc/96/04/40/519960440.db2.gz SLIQCMGKJOEBNR-ZDUSSCGKSA-N 2 0 269.433 1.565 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@H](C[N@H+](CCN(C)C)CC(C)C)O1 ZINC000052503390 519979209 /nfs/dbraw/zinc/97/92/09/519979209.db2.gz DSGAWNFRODSDRU-HZPDHXFCSA-N 2 0 285.476 1.663 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)N(C)C1CC[NH+](CC)CC1 ZINC000061269793 520060576 /nfs/dbraw/zinc/06/05/76/520060576.db2.gz MBEOJXYGICJTOP-LBPRGKRZSA-N 2 0 255.406 1.317 10 0 CDAERP CCC[NH2+][C@H](C)C1CC[NH+](C[C@H](O)COC)CC1 ZINC000069053287 520062628 /nfs/dbraw/zinc/06/26/28/520062628.db2.gz LRPRXIITHVQKOL-OCCSQVGLSA-N 2 0 258.406 1.094 10 0 CDAERP CCC[NH2+][C@](C)(C[C@@H](C)N(C)CC[NH+]1CCCC1)C(N)=O ZINC000068646226 520110518 /nfs/dbraw/zinc/11/05/18/520110518.db2.gz LOZRQWOYARSFNP-GDBMZVCRSA-N 2 0 298.475 1.036 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000061272727 520164305 /nfs/dbraw/zinc/16/43/05/520164305.db2.gz NEPBEBXAXZHLFR-KGLIPLIRSA-N 2 0 267.417 1.461 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)C[C@H](C)[NH2+]CC)CC1 ZINC000061270152 520571021 /nfs/dbraw/zinc/57/10/21/520571021.db2.gz JTMXUJYKAHPITM-ZDUSSCGKSA-N 2 0 269.433 1.755 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055139389 520715343 /nfs/dbraw/zinc/71/53/43/520715343.db2.gz YQUDALPOZFSTFC-RDBSUJKOSA-N 2 0 269.433 1.741 10 0 CDAERP CCOC(=O)[C@@](C)(C[C@H](C)[N@H+](C)C[C@@H]1CC[NH+](C)C1)NC ZINC000068646561 521149845 /nfs/dbraw/zinc/14/98/45/521149845.db2.gz XTSCAOYNOTWRBG-SQWLQELKSA-N 2 0 299.459 1.190 10 0 CDAERP CCC[C@]1(C(=O)N2CCC([NH+]3CCCC3)CC2)CC[NH2+]C1 ZINC000062897264 521299266 /nfs/dbraw/zinc/29/92/66/521299266.db2.gz JCHLEPKJRMJPGA-KRWDZBQOSA-N 2 0 293.455 1.853 10 0 CDAERP CCC(CC)[N@H+](CCO)CC1(C[NH3+])CCOCC1 ZINC000052183534 521552590 /nfs/dbraw/zinc/55/25/90/521552590.db2.gz AYMGFNVJNHGQPD-UHFFFAOYSA-N 2 0 258.406 1.225 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000055087668 521556632 /nfs/dbraw/zinc/55/66/32/521556632.db2.gz UECNOVABZXRXGF-KGLIPLIRSA-N 2 0 267.417 1.447 10 0 CDAERP CC[NH+]1CCC(N(C)CC2(C[NH2+]C)CCOCC2)CC1 ZINC000052183216 521562396 /nfs/dbraw/zinc/56/23/96/521562396.db2.gz XSZJRWZBCIIGGT-UHFFFAOYSA-N 2 0 283.460 1.419 10 0 CDAERP CCC(CC)NC(=O)C[N@H+](CCC[NH3+])C1CCCC1 ZINC000049285408 521575833 /nfs/dbraw/zinc/57/58/33/521575833.db2.gz RZBUUXSSUKRQGL-UHFFFAOYSA-N 2 0 269.433 1.885 10 0 CDAERP CC[NH+]1CCC([C@H](C)[NH2+]Cc2cnc(C)cn2)CC1 ZINC000061320439 521585824 /nfs/dbraw/zinc/58/58/24/521585824.db2.gz ACAHLVLAKIKQSC-ZDUSSCGKSA-N 2 0 262.401 1.995 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000245416058 521631097 /nfs/dbraw/zinc/63/10/97/521631097.db2.gz DVCKPXCHQQDPOT-YNEHKIRRSA-N 2 0 253.390 1.057 10 0 CDAERP CC[NH+]1CCN([C@@H](C[NH3+])c2cc(F)c(F)c(F)c2)CC1 ZINC000062709482 521691911 /nfs/dbraw/zinc/69/19/11/521691911.db2.gz KCXBOEGQWLWXBT-ZDUSSCGKSA-N 2 0 287.329 1.741 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)C1(C[NH3+])CCCC1 ZINC000061644044 521830505 /nfs/dbraw/zinc/83/05/05/521830505.db2.gz GRZUPLLVIMOPFK-LBPRGKRZSA-N 2 0 253.390 1.058 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=[NH2+])NC1CCCCC1 ZINC000061652345 521861802 /nfs/dbraw/zinc/86/18/02/521861802.db2.gz YRIFXQNMZBIANY-CYBMUJFWSA-N 2 0 252.406 1.869 10 0 CDAERP C[NH+](C)[C@H]1CCN(CC[NH2+]C2CCCCCC2)C1 ZINC000062974208 522105210 /nfs/dbraw/zinc/10/52/10/522105210.db2.gz DMUWHHYSPUUNFU-HNNXBMFYSA-N 2 0 253.434 1.935 10 0 CDAERP C[NH2+]Cc1cc(CN2CCC([NH+](C)C)CC2)c(C)o1 ZINC000052477821 522107339 /nfs/dbraw/zinc/10/73/39/522107339.db2.gz WYCWPHIRBAICEK-UHFFFAOYSA-N 2 0 265.401 1.833 10 0 CDAERP C[NH2+]Cc1ccc(CN2CC[NH+](C3CC3)CC2)cc1 ZINC000052371379 522117691 /nfs/dbraw/zinc/11/76/91/522117691.db2.gz DKBJYFHQTUCGFT-UHFFFAOYSA-N 2 0 259.397 1.686 10 0 CDAERP C[NH2+]Cc1cccc(N2CC[C@H]([NH+]3CCCCC3)C2)n1 ZINC000062971469 522127941 /nfs/dbraw/zinc/12/79/41/522127941.db2.gz PQMJMFKYWYRGSX-HNNXBMFYSA-N 2 0 274.412 1.866 10 0 CDAERP C[NH2+]Cc1occc1CN1CC[NH+](CC(C)C)CC1 ZINC000055082655 522164437 /nfs/dbraw/zinc/16/44/37/522164437.db2.gz XSEZVYNZILJSKX-UHFFFAOYSA-N 2 0 265.401 1.773 10 0 CDAERP C[N@H+](CCC[C@@H]1CCCC[NH2+]1)[C@@H]1CCS(=O)(=O)C1 ZINC000050952795 522787854 /nfs/dbraw/zinc/78/78/54/522787854.db2.gz RXMUMCZIBZOPNE-QWHCGFSZSA-N 2 0 274.430 1.028 10 0 CDAERP CN([C@H](C[NH3+])CCc1ccccc1)[C@@H]1CCC[N@H+](C)C1 ZINC000061625170 523626842 /nfs/dbraw/zinc/62/68/42/523626842.db2.gz OGRBFGGDJNQDPH-DLBZAZTESA-N 2 0 275.440 1.973 10 0 CDAERP COCC[NH2+]CC1CC[NH+]([C@@H]2CCC[C@@H](OC)C2)CC1 ZINC000070332466 523936085 /nfs/dbraw/zinc/93/60/85/523936085.db2.gz RKDSDRSXWQYWJO-HZPDHXFCSA-N 2 0 284.444 1.892 10 0 CDAERP C[NH+](C)C(C)(C)CNC(=O)[C@H]1CCC[C@@H](C[NH3+])C1 ZINC000055163276 524033172 /nfs/dbraw/zinc/03/31/72/524033172.db2.gz JPMGDMRAVYCLGI-NEPJUHHUSA-N 2 0 255.406 1.208 10 0 CDAERP C[NH+](C)CCCCNC(=O)C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000055138989 524052180 /nfs/dbraw/zinc/05/21/80/524052180.db2.gz MJKIVZPXAXRJIS-QWHCGFSZSA-N 2 0 255.406 1.352 10 0 CDAERP C[NH+](C)CCCCNC(=O)[C@@H]1CCC[C@@H](CC[NH3+])C1 ZINC000055162593 524052466 /nfs/dbraw/zinc/05/24/66/524052466.db2.gz AWNQZTPVEKVJIA-UONOGXRCSA-N 2 0 269.433 1.600 10 0 CDAERP C[C@H](CCC[NH3+])[NH+]1CCN(Cc2ccccc2)CC1 ZINC000052417123 524139424 /nfs/dbraw/zinc/13/94/24/524139424.db2.gz MWHICDSWFHGYNA-OAHLLOKOSA-N 2 0 261.413 1.932 10 0 CDAERP C[C@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)NCC[NH+]1CCCCC1 ZINC000055138389 524143932 /nfs/dbraw/zinc/14/39/32/524143932.db2.gz BGFDWEKFADJFMA-BFHYXJOUSA-N 2 0 267.417 1.352 10 0 CDAERP C[C@H]1CCC[C@H](C(=O)N2CCC([NH+](C)C)CC2)[C@@H]1[NH3+] ZINC000055128216 524177475 /nfs/dbraw/zinc/17/74/75/524177475.db2.gz IXBJTYHFMFWFJN-FPMFFAJLSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@H](C[NH+]1CCCC1)NC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000049184801 524314979 /nfs/dbraw/zinc/31/49/79/524314979.db2.gz LAJYIPACBPUSCU-CBBWQLFWSA-N 2 0 279.428 1.508 10 0 CDAERP C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc(F)ccc1C[NH3+] ZINC000069401402 524342225 /nfs/dbraw/zinc/34/22/25/524342225.db2.gz QOBKXPOOLWGADQ-CMPLNLGQSA-N 2 0 279.359 1.370 10 0 CDAERP C[C@@H]1CC[C@@H](C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)C[C@@H]1[NH3+] ZINC000055131515 524553556 /nfs/dbraw/zinc/55/35/56/524553556.db2.gz PQZKVEVZDUIECE-SYQHCUMBSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@@H](C[NH3+])C[N@@H+]1CCCN(CCOCC(F)(F)F)CC1 ZINC000049310720 524581705 /nfs/dbraw/zinc/58/17/05/524581705.db2.gz LEDIHNGWTHSFEI-LBPRGKRZSA-N 2 0 297.365 1.168 10 0 CDAERP C[C@@H]1[C@@H]([NH3+])CCC[C@@H]1C(=O)NCC[NH+]1CCCCC1 ZINC000055138364 525663440 /nfs/dbraw/zinc/66/34/40/525663440.db2.gz VEGVPHDOENLACX-IHRRRGAJSA-N 2 0 267.417 1.352 10 0 CDAERP C[C@@H](c1ccccc1)[C@H](C[NH3+])N1CC[C@H]([NH+](C)C)C1 ZINC000062964561 526095706 /nfs/dbraw/zinc/09/57/06/526095706.db2.gz DQIICZZWSQHUET-BPUTZDHNSA-N 2 0 261.413 1.753 10 0 CDAERP C[C@H]1CCCC[C@H]1[NH2+]CCN1CCC[N@H+](C)CC1 ZINC000049591419 526262363 /nfs/dbraw/zinc/26/23/63/526262363.db2.gz JWSHTUPVMMSOFR-LSDHHAIUSA-N 2 0 253.434 1.792 10 0 CDAERP O=C(CC[C@@H]1CCCC[NH2+]1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000050947790 526546834 /nfs/dbraw/zinc/54/68/34/526546834.db2.gz IAUZDYCTGBRHPN-HOTGVXAUSA-N 2 0 293.455 1.996 10 0 CDAERP [NH3+]CCCCCN1CCC[N@@H+](C2CCOCC2)CC1 ZINC000069289761 527173590 /nfs/dbraw/zinc/17/35/90/527173590.db2.gz ZGWJUKUQUFHBEG-UHFFFAOYSA-N 2 0 269.433 1.302 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H](CC(=O)NCC[NH+]2CCCC2)C1 ZINC000055131685 527349592 /nfs/dbraw/zinc/34/95/92/527349592.db2.gz NQFYOGMGJLPHOH-CHWSQXEVSA-N 2 0 253.390 1.106 10 0 CDAERP Cn1ccnc1N1CCC[N@H+](CCCCC[NH3+])CC1 ZINC000050605372 527444356 /nfs/dbraw/zinc/44/43/56/527444356.db2.gz NBOWZFWRBCUIBV-UHFFFAOYSA-N 2 0 265.405 1.061 10 0 CDAERP CC(C)[C@H]([NH3+])CNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000418397660 535072402 /nfs/dbraw/zinc/07/24/02/535072402.db2.gz DMBLQUGTRRHZPV-OAHLLOKOSA-N 2 0 296.459 1.487 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)NCCNc2cc[nH+]cc2)CC1 ZINC000427950598 535146659 /nfs/dbraw/zinc/14/66/59/535146659.db2.gz FOLVAWKJOOSCLK-UHFFFAOYSA-N 2 0 290.411 1.152 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000262377537 535450920 /nfs/dbraw/zinc/45/09/20/535450920.db2.gz NFGKYERSIBEMJH-ZFWWWQNUSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@H]([NH2+][C@@H](CCC[NH3+])COC)c1ccncc1 ZINC000422777136 535930738 /nfs/dbraw/zinc/93/07/38/535930738.db2.gz FKNUNWIOVOROKI-KBPBESRZSA-N 2 0 251.374 1.876 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)CC[C@H]1CCC[NH2+]1 ZINC000261555303 535958249 /nfs/dbraw/zinc/95/82/49/535958249.db2.gz BHJSDVAOSSQGGF-CHWSQXEVSA-N 2 0 253.390 1.071 10 0 CDAERP CN(C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418403023 536045158 /nfs/dbraw/zinc/04/51/58/536045158.db2.gz HWSHXHICFMRYJX-MQAAVTGUSA-N 2 0 294.443 1.428 10 0 CDAERP CC(C)C[NH+]1CCC2(CC1)[C@H]([NH3+])CCN2C(C)C ZINC000711932905 538140607 /nfs/dbraw/zinc/14/06/07/538140607.db2.gz KSJPBQWVQAGMEU-CQSZACIVSA-N 2 0 253.434 1.918 10 0 CDAERP CN(Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCCSCC1 ZINC000119260843 538167370 /nfs/dbraw/zinc/16/73/70/538167370.db2.gz VRPPZUSYZIFCTG-MRXNPFEDSA-N 2 0 294.464 1.918 10 0 CDAERP CC(C)[NH+]1CCC(C[NH3+])(C(=O)OC(C)(C)C)CC1 ZINC000725244188 538445761 /nfs/dbraw/zinc/44/57/61/538445761.db2.gz FENIJRPVRZNMGG-UHFFFAOYSA-N 2 0 256.390 1.777 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1C[C@H]2CC[NH+](C)[C@H]2C1 ZINC001682456297 1174615008 /nfs/dbraw/zinc/61/50/08/1174615008.db2.gz DCEHINIFCILGEG-CABCVRRESA-N 2 0 296.459 1.310 10 0 CDAERP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccoc2)CC1 ZINC000729681276 574820464 /nfs/dbraw/zinc/82/04/64/574820464.db2.gz LQYHCEDBGLYEEG-CQSZACIVSA-N 2 0 265.401 1.643 10 0 CDAERP C(C[NH2+][C@H]1CC[NH2+]C12CCC2)COC[C@@H]1CCOC1 ZINC000925524260 617441672 /nfs/dbraw/zinc/44/16/72/617441672.db2.gz ZSRYIRHHMSVTLR-KBPBESRZSA-N 2 0 268.401 1.304 10 0 CDAERP CC1(C)[C@@H]([NH2+]CCCn2cccn2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925532819 617466465 /nfs/dbraw/zinc/46/64/65/617466465.db2.gz ICYMWHZUXTXCPO-RDBSUJKOSA-N 2 0 262.401 1.639 10 0 CDAERP C[NH+]1CCN(CCC[NH2+][C@H](C2CC2)[C@H]2CCCOC2)CC1 ZINC000924578178 617531734 /nfs/dbraw/zinc/53/17/34/617531734.db2.gz LUUXNWKMWMQWPF-DLBZAZTESA-N 2 0 295.471 1.419 10 0 CDAERP C[NH+]1CCN(C(C)(C)CN[C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925606156 617549302 /nfs/dbraw/zinc/54/93/02/617549302.db2.gz LZMXEGSYYCBKFO-HNNXBMFYSA-N 2 0 294.487 1.277 10 0 CDAERP C[C@@H](N[C@@H](CC[NH+](C)C)c1cccnc1)C1C[NH2+]C1 ZINC000925826575 617832919 /nfs/dbraw/zinc/83/29/19/617832919.db2.gz IDZFLPZUVAWXLR-DOMZBBRYSA-N 2 0 262.401 1.272 10 0 CDAERP CC1(C)[C@@H]([NH2+]C2CCC([NH3+])CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925692522 617701718 /nfs/dbraw/zinc/70/17/18/617701718.db2.gz LZRJLNNZBUCDNY-LSUUEXMVSA-N 3 0 251.418 1.623 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H](NC[C@@H]2C[NH2+]C[C@H]2C)[C@H](C)C1 ZINC000925792751 617719417 /nfs/dbraw/zinc/71/94/17/617719417.db2.gz WDDGECXOXKXFDM-NCOADZHNSA-N 2 0 297.487 1.569 10 0 CDAERP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925794959 617723033 /nfs/dbraw/zinc/72/30/33/617723033.db2.gz MUADPFBHMQRLHT-YALNPMBYSA-N 3 0 275.440 1.780 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+][C@H]1CNCC2(CCOCC2)C1 ZINC000925799330 617730333 /nfs/dbraw/zinc/73/03/33/617730333.db2.gz SNVGLIDMFSQXHN-ZIAGYGMSSA-N 2 0 269.433 1.252 10 0 CDAERP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC[C@H]1CC(=O)N(C)C1 ZINC000925807840 617748102 /nfs/dbraw/zinc/74/81/02/617748102.db2.gz DMKDMYWTQNFEHO-CWRNSKLLSA-N 2 0 289.423 1.403 10 0 CDAERP [NH3+]C1CCN(CC[NH2+]C2CCc3ccccc3CC2)CC1 ZINC000925816323 617772191 /nfs/dbraw/zinc/77/21/91/617772191.db2.gz DWHXZHBDWLPLPK-UHFFFAOYSA-N 2 0 287.451 1.947 10 0 CDAERP CC1(C)C[C@@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@@H]([NH3+])C1 ZINC000925704044 617773603 /nfs/dbraw/zinc/77/36/03/617773603.db2.gz FYFHLFZSGLTSED-KHMAMNHCSA-N 3 0 265.445 1.870 10 0 CDAERP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC000925826363 617817830 /nfs/dbraw/zinc/81/78/30/617817830.db2.gz NJMXUVAXLWZRJU-ZIAGYGMSSA-N 2 0 282.428 1.415 10 0 CDAERP CCN1CCC[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1=O ZINC000925827162 617839563 /nfs/dbraw/zinc/83/95/63/617839563.db2.gz MVVDSDGGAGQREL-UPJWGTAASA-N 2 0 267.417 1.493 10 0 CDAERP CC(C)(C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)CS(C)(=O)=O ZINC000925834092 617860869 /nfs/dbraw/zinc/86/08/69/617860869.db2.gz WAXPYCXHNUIJDJ-NWDGAFQWSA-N 2 0 290.473 1.553 10 0 CDAERP O=C1C[C@H](CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CN1 ZINC000925837502 617867933 /nfs/dbraw/zinc/86/79/33/617867933.db2.gz FZHQFHPKXSQWAO-LJISPDSOSA-N 2 0 279.428 1.413 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH2+]CCCCCN2CC[NH2+]CC2)[C@@H](C)C1 ZINC000925846343 617881646 /nfs/dbraw/zinc/88/16/46/617881646.db2.gz SBKCCNKHBQDPQY-DLBZAZTESA-N 3 0 296.503 1.382 10 0 CDAERP C[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cncs1 ZINC000925849690 617886111 /nfs/dbraw/zinc/88/61/11/617886111.db2.gz FAIDMQCXFYEVBL-GHMZBOCLSA-N 2 0 295.408 1.479 10 0 CDAERP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@]1(C(F)(F)F)CCCN1 ZINC000925856619 617894858 /nfs/dbraw/zinc/89/48/58/617894858.db2.gz RHAIEWGWSPOFMI-WOPDTQHZSA-N 2 0 279.350 1.649 10 0 CDAERP CC[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)C1(C(=O)OC)CCC1 ZINC000925882256 617966738 /nfs/dbraw/zinc/96/67/38/617966738.db2.gz JRXCESBMVFBOGX-AGIUHOORSA-N 2 0 268.401 1.825 10 0 CDAERP COC(=O)CC[C@H]1CCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923425224 618330817 /nfs/dbraw/zinc/33/08/17/618330817.db2.gz KCLOVCHQNOIMOH-ZIAGYGMSSA-N 2 0 296.411 1.030 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cccc(CO)c1 ZINC000924971344 618504836 /nfs/dbraw/zinc/50/48/36/618504836.db2.gz BTRRQUCCHZWWNB-XYPWUTKMSA-N 2 0 260.381 1.609 10 0 CDAERP CN(C(=O)C12CC[NH+](CC1)C2)C(C)(C)C[NH+]1CCCC1 ZINC000910936822 618585408 /nfs/dbraw/zinc/58/54/08/618585408.db2.gz YKTUJRSMRJBBTJ-UHFFFAOYSA-N 2 0 279.428 1.415 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@](C)(O)c1ccccc1 ZINC000925069038 618858228 /nfs/dbraw/zinc/85/82/28/618858228.db2.gz UYZCYJOHACRESD-ADNJVRNUSA-N 2 0 274.408 1.824 10 0 CDAERP C[C@H]1C[N@H+](Cc2ccc(=O)[nH]c2)CCN1c1cc[nH+]cc1 ZINC000895555989 619725523 /nfs/dbraw/zinc/72/55/23/619725523.db2.gz DEOQBJSQBHLSTP-ZDUSSCGKSA-N 2 0 284.363 1.893 10 0 CDAERP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]C2C[C@@H]3CCC[C@H]3C2)C1 ZINC000902793801 625409896 /nfs/dbraw/zinc/40/98/96/625409896.db2.gz MFZIJXMYQPFRFU-SOUVJXGZSA-N 2 0 293.455 1.742 10 0 CDAERP C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@H]1c1ccccc1 ZINC000897240731 620436626 /nfs/dbraw/zinc/43/66/26/620436626.db2.gz OSVIPFDWEJDYKA-HRCADAONSA-N 2 0 287.407 1.642 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=[NH2+])NCCC1CC1 ZINC000864454026 620922806 /nfs/dbraw/zinc/92/28/06/620922806.db2.gz RRWCETLDJVAVCU-GFCCVEGCSA-N 2 0 252.406 1.775 10 0 CDAERP C[C@H]1[C@H](NC(=O)NCC2(C)CC[NH+](C)CC2)CC[N@@H+]1C ZINC000925332029 621576870 /nfs/dbraw/zinc/57/68/70/621576870.db2.gz MTRNGKQJHHVZEQ-QWHCGFSZSA-N 2 0 282.432 1.110 10 0 CDAERP CC(C)[C@H](C[NH2+][C@@H](C)c1ccnnc1)N1CC[NH+](C)CC1 ZINC000924631851 621611141 /nfs/dbraw/zinc/61/11/41/621611141.db2.gz OYLUYGFEMVFMTC-HOCLYGCPSA-N 2 0 291.443 1.399 10 0 CDAERP C[C@@H](NC(=[NH2+])NC1CC([NH+]2CCCCC2)C1)C1CC1 ZINC000899271695 622136493 /nfs/dbraw/zinc/13/64/93/622136493.db2.gz KWEWHEMEMOTYDR-LMWSTFAQSA-N 2 0 264.417 1.916 10 0 CDAERP C[NH+](C)C1(CNC(=O)C23CC[NH+](CC2)C3)CCCCCC1 ZINC000899977814 622601575 /nfs/dbraw/zinc/60/15/75/622601575.db2.gz SSBOTNYZADFZMP-UHFFFAOYSA-N 2 0 293.455 1.853 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C12CC[NH+](CC1)C2 ZINC000900216427 622808834 /nfs/dbraw/zinc/80/88/34/622808834.db2.gz VKOGTXUKYJVQJI-HNNXBMFYSA-N 2 0 293.455 1.853 10 0 CDAERP CC[N@@H+]1C[C@@H](C)N(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000901271705 624090396 /nfs/dbraw/zinc/09/03/96/624090396.db2.gz OADMMWSPMRWMPB-CHWSQXEVSA-N 2 0 265.401 1.023 10 0 CDAERP C1C[C@@H]2[NH2+][C@H]1C[C@H]2[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000902469612 624863243 /nfs/dbraw/zinc/86/32/43/624863243.db2.gz YQUKXZHSWPABQF-LWGJEFJTSA-N 2 0 250.386 1.674 10 0 CDAERP CCO[C@@H]1C[C@H](O)C12CC[NH+](C[C@@H]1CC[C@H]([NH3+])C1)CC2 ZINC000903440088 625992771 /nfs/dbraw/zinc/99/27/71/625992771.db2.gz SDSACHIEOKPTMS-CBBWQLFWSA-N 2 0 282.428 1.366 10 0 CDAERP NC[C@@H]1c2ccccc2CC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903460426 625995204 /nfs/dbraw/zinc/99/52/04/625995204.db2.gz BQPFNSFBRKOTEW-IVMMDQJWSA-N 2 0 259.397 1.672 10 0 CDAERP CCc1nsc(N2CC[NH+](C[C@@H]3CC[C@H]([NH3+])C3)CC2)n1 ZINC000903444232 625998024 /nfs/dbraw/zinc/99/80/24/625998024.db2.gz QFJZQPJMLUXTCI-NEPJUHHUSA-N 2 0 295.456 1.350 10 0 CDAERP COc1ccccc1[C@H]1C[NH2+]CCN1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903450353 626000325 /nfs/dbraw/zinc/00/03/25/626000325.db2.gz UPWZKBJWIPYVGY-IJEWVQPXSA-N 2 0 289.423 1.497 10 0 CDAERP CCCCOC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903499790 626009151 /nfs/dbraw/zinc/00/91/51/626009151.db2.gz OBFBJDPEJNFLPR-JHJVBQTASA-N 2 0 256.390 1.635 10 0 CDAERP O=C(CC[N@@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1)N1CC[NH2+]CC1 ZINC000903490911 626010524 /nfs/dbraw/zinc/01/05/24/626010524.db2.gz MNUKALFRYQVLJA-FUHWJXTLSA-N 2 0 299.418 1.082 10 0 CDAERP Cc1nc([C@H]2CC[N@H+](C[C@@H]3CC[C@H]([NH3+])C3)C2)no1 ZINC000903491178 626010823 /nfs/dbraw/zinc/01/08/23/626010823.db2.gz YMAMHKQREBYDME-WOPDTQHZSA-N 2 0 250.346 1.295 10 0 CDAERP CC[C@@H](C)C[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903492728 626011090 /nfs/dbraw/zinc/01/10/90/626011090.db2.gz RBMYTEXBJLYBQV-CZXHOFHRSA-N 2 0 254.374 1.245 10 0 CDAERP CC[NH+](CC)CCCN1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903541733 626016338 /nfs/dbraw/zinc/01/63/38/626016338.db2.gz WTOLOQILDNUCAP-RYUDHWBXSA-N 2 0 281.366 1.930 10 0 CDAERP [NH3+][C@@H]1CN(CCC2CC[NH2+]CC2)CC[C@@H]1C(F)(F)F ZINC000903542121 626016343 /nfs/dbraw/zinc/01/63/43/626016343.db2.gz ZHKLKLMEPQRXEM-NWDGAFQWSA-N 2 0 279.350 1.588 10 0 CDAERP C[C@@]1(C2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)COC(=O)N1 ZINC000903564462 626020820 /nfs/dbraw/zinc/02/08/20/626020820.db2.gz WGSLFXDNCLZNJG-CJNGLKHVSA-N 2 0 295.427 1.587 10 0 CDAERP C([C@H]1CCCC[NH2+]C1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000903740523 626079322 /nfs/dbraw/zinc/07/93/22/626079322.db2.gz INUJYLZEFRQVMF-ARFHVFGLSA-N 3 0 265.445 1.840 10 0 CDAERP CCOC(=O)CC[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000903888555 626123636 /nfs/dbraw/zinc/12/36/36/626123636.db2.gz FSVRFFUSAPOUDD-AGUYFDCRSA-N 2 0 280.412 1.935 10 0 CDAERP CCC[C@H](C)[N@H+](C)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903885879 626133482 /nfs/dbraw/zinc/13/34/82/626133482.db2.gz OGPJFOPPOQVPJJ-GXTWGEPZSA-N 2 0 266.433 1.966 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCC[C@@H]2C)cnn1C ZINC000903892835 626134870 /nfs/dbraw/zinc/13/48/70/626134870.db2.gz NAAIXFGWUFEGBY-WCQYABFASA-N 2 0 250.390 1.330 10 0 CDAERP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000903898685 626137602 /nfs/dbraw/zinc/13/76/02/626137602.db2.gz NHDZPCVMMDWUKB-CHZLEKFTSA-N 2 0 282.453 1.723 10 0 CDAERP O=C1[C@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1C1CCC1 ZINC000903936369 626154646 /nfs/dbraw/zinc/15/46/46/626154646.db2.gz ZXOKUMUSFNDSEU-VYHDIPPYSA-N 2 0 277.412 1.260 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903959537 626159195 /nfs/dbraw/zinc/15/91/95/626159195.db2.gz JKBWSQPYUNVRPJ-LSDHHAIUSA-N 2 0 253.434 1.825 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CC[C@H](CF)C2)cnn1C ZINC000903940041 626161773 /nfs/dbraw/zinc/16/17/73/626161773.db2.gz UEBLEJFECOJTGO-OLZOCXBDSA-N 2 0 268.380 1.137 10 0 CDAERP C[C@@H]1C[C@H](CN2CCc3sc(C[NH3+])nc3C2)CC[NH2+]1 ZINC000903944122 626162340 /nfs/dbraw/zinc/16/23/40/626162340.db2.gz GMBWIARSFVXXIL-GHMZBOCLSA-N 2 0 280.441 1.348 10 0 CDAERP CC[NH+]1CCC(NC[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000903956397 626167251 /nfs/dbraw/zinc/16/72/51/626167251.db2.gz KVXQWQYJVMJSEM-LLVKDONJSA-N 2 0 261.360 1.305 10 0 CDAERP CCc1nn(C)c(Cl)c1C[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903973355 626168821 /nfs/dbraw/zinc/16/88/21/626168821.db2.gz AJWRSPCTYOUAOK-GHMZBOCLSA-N 2 0 284.835 1.971 10 0 CDAERP Cc1nc([C@@H]2CC[N@@H+](C[C@H]3CC[NH2+][C@H](C)C3)C2)no1 ZINC000903979086 626170211 /nfs/dbraw/zinc/17/02/11/626170211.db2.gz VDRWQBNZCYJIQY-KGYLQXTDSA-N 2 0 264.373 1.555 10 0 CDAERP CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](C[C@]3(C)CC[NH2+]C3)C[C@@H]21 ZINC000903986616 626174274 /nfs/dbraw/zinc/17/42/74/626174274.db2.gz NCNICEBTVYXKNX-QVHKTLOISA-N 2 0 266.385 1.117 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H]([C@@]3(C)COC(=O)N3)C2)CC[NH2+]1 ZINC000903986499 626174383 /nfs/dbraw/zinc/17/43/83/626174383.db2.gz LACOLBLTINSGAX-IXYNUQLISA-N 2 0 295.427 1.585 10 0 CDAERP C[C@H](CNC(=[NH2+])NC[C@@H]1CCCS1)[N@H+](C)C1CC1 ZINC000905040700 626379922 /nfs/dbraw/zinc/37/99/22/626379922.db2.gz BFGMYVZCJHSXSO-PWSUYJOCSA-N 2 0 270.446 1.479 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000905289924 626741865 /nfs/dbraw/zinc/74/18/65/626741865.db2.gz LMSCXGHWEBHFQA-BXUZGUMPSA-N 2 0 276.384 1.478 10 0 CDAERP CCC[NH2+][C@@H](C)c1nc(CC2CC[NH2+]CC2)no1 ZINC000905313667 626744284 /nfs/dbraw/zinc/74/42/84/626744284.db2.gz MMRPRNWCRKRXCM-JTQLQIEISA-N 2 0 252.362 1.672 10 0 CDAERP C[C@H](Cc1nc(CC2CC[NH2+]CC2)no1)C1CC[NH2+]CC1 ZINC000905317154 626746111 /nfs/dbraw/zinc/74/61/11/626746111.db2.gz HPJFWVYUUIDWLY-GFCCVEGCSA-N 2 0 292.427 1.790 10 0 CDAERP C[C@@H](Cc1nc(CC2CC[NH2+]CC2)no1)C1CC[NH2+]CC1 ZINC000905317155 626746222 /nfs/dbraw/zinc/74/62/22/626746222.db2.gz HPJFWVYUUIDWLY-LBPRGKRZSA-N 2 0 292.427 1.790 10 0 CDAERP C[NH2+]CCOc1ccccc1-c1nc(C[C@H](C)[NH2+]C)no1 ZINC000905305911 626756962 /nfs/dbraw/zinc/75/69/62/626756962.db2.gz ZSYXZFFJXNACNY-NSHDSACASA-N 2 0 290.367 1.485 10 0 CDAERP CC[N@@H+]1CC[C@@H]1CNC(=S)NC[C@H]1CCC[NH+]1CC ZINC000905547378 626855170 /nfs/dbraw/zinc/85/51/70/626855170.db2.gz CFOCMOBEJXGVHC-CHWSQXEVSA-N 2 0 284.473 1.029 10 0 CDAERP CC(C)[C@@H](C(=O)N1CC([NH+]2CCCC2)C1)[NH+]1CCCCC1 ZINC000912324545 629935104 /nfs/dbraw/zinc/93/51/04/629935104.db2.gz DQLHEZPPASIXNQ-INIZCTEOSA-N 2 0 293.455 1.804 10 0 CDAERP C[C@H](CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)[NH+](C)C ZINC000912389307 629979350 /nfs/dbraw/zinc/97/93/50/629979350.db2.gz HBDSBKLHZWRADY-MGPQQGTHSA-N 2 0 267.417 1.460 10 0 CDAERP Cc1nccn1CC(=O)N1[C@H](C)CCC[C@@H]1CC[NH+](C)C ZINC000912649765 630126077 /nfs/dbraw/zinc/12/60/77/630126077.db2.gz ZHTMEKYDIHQHHN-UKRRQHHQSA-N 2 0 292.427 1.913 10 0 CDAERP C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)Cn1ccnc1 ZINC000912650495 630127396 /nfs/dbraw/zinc/12/73/96/630127396.db2.gz MQKZBBRVURYFBN-ZIAGYGMSSA-N 2 0 278.400 1.604 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)CC[N@@H+]1C ZINC000913279963 630423394 /nfs/dbraw/zinc/42/33/94/630423394.db2.gz YNSLCQJWKMHCKF-XJNFMUPTSA-N 2 0 293.455 1.517 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC000913881163 630862822 /nfs/dbraw/zinc/86/28/22/630862822.db2.gz NUZRJPNPHXVULN-GXTWGEPZSA-N 2 0 282.432 1.251 10 0 CDAERP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)N[C@H]1CCC[NH+](C)C1 ZINC000914315211 631335603 /nfs/dbraw/zinc/33/56/03/631335603.db2.gz NGPHZSROMXRRLB-GJZGRUSLSA-N 2 0 296.459 1.452 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@@H](O)CO)CC1 ZINC000929840367 631532457 /nfs/dbraw/zinc/53/24/57/631532457.db2.gz FDFPRKWCZGSVNQ-GOEBONIOSA-N 2 0 284.444 1.316 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CC[NH+](C)[C@H]1C ZINC000919528460 632620534 /nfs/dbraw/zinc/62/05/34/632620534.db2.gz JREAFVJJTSUALJ-ZNMIVQPWSA-N 2 0 296.459 1.643 10 0 CDAERP O=C(N[C@H](C[NH2+]CCF)C1CC1)C12CCC[NH+]1CCC2 ZINC001670490108 1158618789 /nfs/dbraw/zinc/61/87/89/1158618789.db2.gz HAKBQJUFKAIRGU-CYBMUJFWSA-N 2 0 283.391 1.069 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001266559514 1158622159 /nfs/dbraw/zinc/62/21/59/1158622159.db2.gz CTPXHOGLAVXQMD-KGLIPLIRSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@H](CNC(=O)CCC[NH+](C)C)[NH2+]CC1=CCCCC1 ZINC001690617182 1158668226 /nfs/dbraw/zinc/66/82/26/1158668226.db2.gz YKIKZIHDDYWICL-CQSZACIVSA-N 2 0 281.444 1.923 10 0 CDAERP CC(C)=CCN1CC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001670651724 1158675073 /nfs/dbraw/zinc/67/50/73/1158675073.db2.gz XNLSRDLGDAIRLI-HNNXBMFYSA-N 2 0 279.428 1.627 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]CCC(C)(C)C)C1CC1 ZINC001670517790 1158628065 /nfs/dbraw/zinc/62/80/65/1158628065.db2.gz UAGRFSQHXJHOHH-CQSZACIVSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@@H](CNC(=O)CCC[NH+](C)C)[NH2+]CC1CCCC1 ZINC001266968806 1159030023 /nfs/dbraw/zinc/03/00/23/1159030023.db2.gz YWKUVCIMIMEOEA-ZDUSSCGKSA-N 2 0 269.433 1.613 10 0 CDAERP CCC[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001267129390 1159130846 /nfs/dbraw/zinc/13/08/46/1159130846.db2.gz OMDLLNMDCFBVFR-ZIAGYGMSSA-N 2 0 269.433 1.754 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC2(CC[NH+](CCF)C2)CC1 ZINC001482069967 1159975913 /nfs/dbraw/zinc/97/59/13/1159975913.db2.gz AIVBBGIGAWRDHX-UHFFFAOYSA-N 2 0 299.434 1.611 10 0 CDAERP CCCCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001269084490 1160028690 /nfs/dbraw/zinc/02/86/90/1160028690.db2.gz UDUHRBAYXORBJV-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP CCN(CC[NH2+]CCC1CCCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001732811080 1160259611 /nfs/dbraw/zinc/25/96/11/1160259611.db2.gz SGXKKSNIDJZPFY-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001482598813 1160537017 /nfs/dbraw/zinc/53/70/17/1160537017.db2.gz LXOIUSXRECYAQJ-GOEBONIOSA-N 2 0 295.471 1.765 10 0 CDAERP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC000866710900 1164814088 /nfs/dbraw/zinc/81/40/88/1164814088.db2.gz XJMSQSQMCOSGJK-QLFBSQMISA-N 2 0 293.411 1.434 10 0 CDAERP C[N@H+](CCCCCC[NH3+])CCc1nnn(C(C)(C)C)n1 ZINC000872158110 1165387640 /nfs/dbraw/zinc/38/76/40/1165387640.db2.gz SPRZNNDEHMKQLJ-UHFFFAOYSA-N 2 0 282.436 1.422 10 0 CDAERP CC1(C)C[NH2+]CC[C@H](NC(=O)/C=C/[C@H]2CCC[NH2+]C2)C1 ZINC000872277683 1165408041 /nfs/dbraw/zinc/40/80/41/1165408041.db2.gz URLPUGPLFWMCJL-IHDARNGBSA-N 2 0 279.428 1.437 10 0 CDAERP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](C)CC1(C)C)[NH+](C)C ZINC001639135042 1166902665 /nfs/dbraw/zinc/90/26/65/1166902665.db2.gz CGHJHUZTODRWNB-VXGBXAGGSA-N 2 0 255.406 1.029 10 0 CDAERP CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@H](C)CC[NH+](C)C ZINC001641959267 1167147110 /nfs/dbraw/zinc/14/71/10/1167147110.db2.gz YIQQKUMZRLHDPG-OLZOCXBDSA-N 2 0 257.422 1.419 10 0 CDAERP CCN(C(=O)c1ccn(-c2cc[nH+]cc2)n1)[C@@H]1CC[N@H+](C)C1 ZINC001645996539 1167602168 /nfs/dbraw/zinc/60/21/68/1167602168.db2.gz RBCUUYQDBMPPQK-CQSZACIVSA-N 2 0 299.378 1.434 10 0 CDAERP C[NH2+][C@H](C)Cc1noc(C2(C(F)(F)F)CC[NH2+]CC2)n1 ZINC001646237173 1167716851 /nfs/dbraw/zinc/71/68/51/1167716851.db2.gz GNCRJCQDTPBIBN-MRVPVSSYSA-N 2 0 292.305 1.404 10 0 CDAERP O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@H]([NH2+]CCCF)C1 ZINC001566813743 1168432026 /nfs/dbraw/zinc/43/20/26/1168432026.db2.gz MJKJCANREPGGFX-HDJSIYSDSA-N 2 0 285.407 1.459 10 0 CDAERP CCC[N@@H+]1CCC[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001569719517 1169974840 /nfs/dbraw/zinc/97/48/40/1169974840.db2.gz MCHPBUCUGDZPOO-OAHLLOKOSA-N 2 0 269.433 1.566 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@H]2CC[C@H](C[NH2+]CCF)CC2)CC1 ZINC001570044734 1170062602 /nfs/dbraw/zinc/06/26/02/1170062602.db2.gz MSCVWQMQSVQIQP-HDJSIYSDSA-N 2 0 299.434 1.562 10 0 CDAERP CCCC[NH2+]CC(C)(C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001570689367 1170232859 /nfs/dbraw/zinc/23/28/59/1170232859.db2.gz WNYCEKOBVDRPEI-UHFFFAOYSA-N 2 0 283.460 1.957 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(CCNC(=O)C2CC2)C1 ZINC001657472126 1171966234 /nfs/dbraw/zinc/96/62/34/1171966234.db2.gz SRPADIFXLOZIAU-ZDUSSCGKSA-N 2 0 267.417 1.176 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001662503948 1172556399 /nfs/dbraw/zinc/55/63/99/1172556399.db2.gz XEKZTBCBKGKQQZ-ZDUSSCGKSA-N 2 0 267.417 1.461 10 0 CDAERP CCCCC[NH+]1CC(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001665350103 1172983050 /nfs/dbraw/zinc/98/30/50/1172983050.db2.gz HXRMPJKKXDKARY-CQSZACIVSA-N 2 0 269.433 1.565 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)CC[NH2+]CC1CC1)[NH+](C)C ZINC001668277977 1173391860 /nfs/dbraw/zinc/39/18/60/1173391860.db2.gz AKSQYZCNAORMLT-DGCLKSJQSA-N 2 0 255.406 1.221 10 0 CDAERP CC[C@H](C(=O)NC/C=C/C[NH2+]Cc1ccsc1)[NH+](C)C ZINC001668882338 1173475955 /nfs/dbraw/zinc/47/59/55/1173475955.db2.gz FRPJVCARJNYSTN-VBROQKIQSA-N 2 0 295.452 1.850 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]C(C)C ZINC001669207324 1173517012 /nfs/dbraw/zinc/51/70/12/1173517012.db2.gz LSWBKPLHWFPGNS-LMVHVUTASA-N 2 0 267.417 1.531 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001672337878 1173767755 /nfs/dbraw/zinc/76/77/55/1173767755.db2.gz BKLSDELDSMEALP-UONOGXRCSA-N 2 0 269.433 1.419 10 0 CDAERP CCC[N@H+]1CC=C(CNC(=O)C[NH+](C)C2CCC2)CC1 ZINC001677570335 1174372677 /nfs/dbraw/zinc/37/26/77/1174372677.db2.gz GUXXHXZJSWTONX-UHFFFAOYSA-N 2 0 279.428 1.629 10 0 CDAERP CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001690732701 1175558871 /nfs/dbraw/zinc/55/88/71/1175558871.db2.gz NWCSMTCLEJQOBR-ZNMIVQPWSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)CC[NH2+]C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001690752066 1175563664 /nfs/dbraw/zinc/56/36/64/1175563664.db2.gz XYKRXNNRMAPCQB-HNNXBMFYSA-N 2 0 293.455 1.566 10 0 CDAERP CCOCC[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001690823039 1175580626 /nfs/dbraw/zinc/58/06/26/1175580626.db2.gz QSPWWZNIVGPTFE-HNNXBMFYSA-N 2 0 299.459 1.288 10 0 CDAERP COCC[NH2+][C@H](C)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001690866795 1175594711 /nfs/dbraw/zinc/59/47/11/1175594711.db2.gz AZFMDJOHMFFVQJ-HUUCEWRRSA-N 2 0 299.459 1.382 10 0 CDAERP O=C(CCCC[NH+]1CCCC1)NCC1C[NH+](CC2CC2)C1 ZINC001692351959 1175745853 /nfs/dbraw/zinc/74/58/53/1175745853.db2.gz HYNJAGUJLNPVEL-UHFFFAOYSA-N 2 0 293.455 1.711 10 0 CDAERP C[C@H](C[NH2+]CCc1cccs1)N(C)C(=O)CC[NH+](C)C ZINC001698843661 1175959390 /nfs/dbraw/zinc/95/93/90/1175959390.db2.gz FJBSWMZENQQNGG-CYBMUJFWSA-N 2 0 297.468 1.679 10 0 CDAERP C[C@@H](C[NH2+]C/C=C\Cl)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001698844851 1175960407 /nfs/dbraw/zinc/96/04/07/1175960407.db2.gz RFEIDIBRIAYWQL-KMSCOEIWSA-N 2 0 287.835 1.517 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CC[NH+](C)C ZINC001699030030 1176049035 /nfs/dbraw/zinc/04/90/35/1176049035.db2.gz WXOBHWSCKRKIEG-HUUCEWRRSA-N 2 0 281.444 1.779 10 0 CDAERP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)co1 ZINC001699087931 1176083056 /nfs/dbraw/zinc/08/30/56/1176083056.db2.gz LVQVPQLJZXFTKP-RISCZKNCSA-N 2 0 294.399 1.062 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+]Cc2ccsc2)C1 ZINC001699343010 1176275021 /nfs/dbraw/zinc/27/50/21/1176275021.db2.gz VOACNEVEEVSHQG-SFAKSCPVSA-N 2 0 293.436 1.462 10 0 CDAERP C[C@H](C[NH2+]CC1CCC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001699385703 1176343219 /nfs/dbraw/zinc/34/32/19/1176343219.db2.gz WRNASIMVFWCLOY-OCCSQVGLSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@H](F)CC[NH2+]CCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001699506173 1176454784 /nfs/dbraw/zinc/45/47/84/1176454784.db2.gz AKTLQKPJMGQERM-ZFWWWQNUSA-N 2 0 299.434 1.514 10 0 CDAERP CC(C)[NH2+]C1(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001699670445 1176563395 /nfs/dbraw/zinc/56/33/95/1176563395.db2.gz JLADSMSNCMYCJA-CHWSQXEVSA-N 2 0 267.417 1.506 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@]1(C)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001699857687 1176659538 /nfs/dbraw/zinc/65/95/38/1176659538.db2.gz UZADTRIBWGDGAH-ZBFHGGJFSA-N 2 0 299.434 1.659 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCC1 ZINC001700136159 1176765693 /nfs/dbraw/zinc/76/56/93/1176765693.db2.gz RXJRQQSFXYMNOU-CYBMUJFWSA-N 2 0 267.417 1.509 10 0 CDAERP CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001700661951 1177064150 /nfs/dbraw/zinc/06/41/50/1177064150.db2.gz KOOIQPIFWIXNHV-OCCSQVGLSA-N 2 0 267.417 1.223 10 0 CDAERP CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC=C(C)C)[NH+](C)C ZINC001700770223 1177124965 /nfs/dbraw/zinc/12/49/65/1177124965.db2.gz KKPQAFHVYPDZOY-KGLIPLIRSA-N 2 0 269.433 1.729 10 0 CDAERP COCCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001700854467 1177166751 /nfs/dbraw/zinc/16/67/51/1177166751.db2.gz SKAWURCMNDFKRE-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)OCC[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001707375224 1178000633 /nfs/dbraw/zinc/00/06/33/1178000633.db2.gz MDRQZZYWVHAPBH-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+]CCCF ZINC001723961867 1178130200 /nfs/dbraw/zinc/13/02/00/1178130200.db2.gz BOYLAUCOTHUPAP-ZDUSSCGKSA-N 2 0 273.396 1.268 10 0 CDAERP COCC[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC000155756031 1178166373 /nfs/dbraw/zinc/16/63/73/1178166373.db2.gz KDNVJHKKXJWADJ-OAHLLOKOSA-N 2 0 299.459 1.334 10 0 CDAERP CCC(CC)C[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001712940032 1178253976 /nfs/dbraw/zinc/25/39/76/1178253976.db2.gz WTIUBZUIUYGDRU-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)=CC[N@H+](C)CCCNC(=O)C[NH+](C)C1CCC1 ZINC001712952760 1178265402 /nfs/dbraw/zinc/26/54/02/1178265402.db2.gz UDRSFNZZXDQRLF-UHFFFAOYSA-N 2 0 281.444 1.875 10 0 CDAERP CC(C)=CC[N@H+](C)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001712968765 1178274487 /nfs/dbraw/zinc/27/44/87/1178274487.db2.gz APEFVCOZCGPPOC-UHFFFAOYSA-N 2 0 281.444 1.733 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](C)CC1CC1 ZINC001712991359 1178289754 /nfs/dbraw/zinc/28/97/54/1178289754.db2.gz QVDPKBWHKFCYPE-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001713208014 1178432679 /nfs/dbraw/zinc/43/26/79/1178432679.db2.gz YNEOXSDTVFKRQY-MELADBBJSA-N 2 0 267.417 1.365 10 0 CDAERP CC[N@@H+](CC=C(C)C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001713484431 1178600153 /nfs/dbraw/zinc/60/01/53/1178600153.db2.gz HHNHPAGCVSAMRH-INIZCTEOSA-N 2 0 293.455 1.733 10 0 CDAERP CN(CC[NH2+]CCC1CC1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001713605947 1178678509 /nfs/dbraw/zinc/67/85/09/1178678509.db2.gz UIAVWFWYOCSXJU-CQSZACIVSA-N 2 0 267.417 1.319 10 0 CDAERP CC/C=C/CC[NH2+]CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001713655305 1178697876 /nfs/dbraw/zinc/69/78/76/1178697876.db2.gz YRQYKXLWCGHMMB-SNAWJCMRSA-N 2 0 279.428 1.487 10 0 CDAERP CC[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001713767834 1178744511 /nfs/dbraw/zinc/74/45/11/1178744511.db2.gz KEBNHOVGSXKHNR-UHFFFAOYSA-N 2 0 281.444 1.851 10 0 CDAERP CC/C=C\CC[NH+]1CC(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001713923101 1178848770 /nfs/dbraw/zinc/84/87/70/1178848770.db2.gz WSQRZKNBWGOYEH-ZPIQOJFGSA-N 2 0 281.444 1.731 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001713987156 1178910817 /nfs/dbraw/zinc/91/08/17/1178910817.db2.gz GEYZYTSQJXCSLD-APIJFGDWSA-N 2 0 281.444 1.754 10 0 CDAERP CC(C)C[NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001714003440 1178921963 /nfs/dbraw/zinc/92/19/63/1178921963.db2.gz ZSBQPUFLOKJHCO-BETUJISGSA-N 2 0 267.417 1.221 10 0 CDAERP C[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]CCC3CC3)C2)CC1 ZINC001714363586 1179106586 /nfs/dbraw/zinc/10/65/86/1179106586.db2.gz CEZDBDNTHNOIAL-OAHLLOKOSA-N 2 0 293.455 1.566 10 0 CDAERP CC(C)C[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001714713819 1179353284 /nfs/dbraw/zinc/35/32/84/1179353284.db2.gz GVTYNXMSOXSOBI-ZDUSSCGKSA-N 2 0 257.422 1.277 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)CC[NH2+]CC=C(Cl)Cl ZINC001714784142 1179397109 /nfs/dbraw/zinc/39/71/09/1179397109.db2.gz HXWBKYCTIGSXAT-UHFFFAOYSA-N 2 0 296.242 1.695 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CC)[NH2+]C(C)C ZINC001715061151 1179535209 /nfs/dbraw/zinc/53/52/09/1179535209.db2.gz QFLOZGYNTWYYBP-UONOGXRCSA-N 2 0 269.433 1.754 10 0 CDAERP CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001715381728 1179651701 /nfs/dbraw/zinc/65/17/01/1179651701.db2.gz DESSPAYUDQCDCI-HZSPNIEDSA-N 2 0 269.433 1.467 10 0 CDAERP CCC[NH2+]C/C=C/CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001715893805 1179901853 /nfs/dbraw/zinc/90/18/53/1179901853.db2.gz JBEAHUFMGGOSJI-IHVVCDCBSA-N 2 0 253.390 1.000 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CCF ZINC001715983516 1179963159 /nfs/dbraw/zinc/96/31/59/1179963159.db2.gz QADJCXVRJQDIJC-QWHCGFSZSA-N 2 0 273.396 1.171 10 0 CDAERP C[C@H](CC[NH2+]Cc1nccs1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001716126482 1180059458 /nfs/dbraw/zinc/05/94/58/1180059458.db2.gz SKCKXXQGTNSIFB-NEPJUHHUSA-N 2 0 296.440 1.222 10 0 CDAERP C[C@@H](CC[NH2+]Cc1nccs1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001716126483 1180059581 /nfs/dbraw/zinc/05/95/81/1180059581.db2.gz SKCKXXQGTNSIFB-RYUDHWBXSA-N 2 0 296.440 1.222 10 0 CDAERP CCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001716138403 1180067877 /nfs/dbraw/zinc/06/78/77/1180067877.db2.gz DWWQSGPPXWNAEG-KGLIPLIRSA-N 2 0 269.433 1.754 10 0 CDAERP CC/C=C/CC[NH2+]CC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001716187905 1180089074 /nfs/dbraw/zinc/08/90/74/1180089074.db2.gz SYTLLOIAUMIXBM-MBVDDHJVSA-N 2 0 293.455 1.923 10 0 CDAERP CC(C)(C)CC[NH2+]C/C=C/CNC(=O)C12CC[NH+](CC1)C2 ZINC001716367893 1180170033 /nfs/dbraw/zinc/17/00/33/1180170033.db2.gz MLIOHHYQSVVLHZ-SNAWJCMRSA-N 2 0 293.455 1.780 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001716732788 1180386163 /nfs/dbraw/zinc/38/61/63/1180386163.db2.gz XGWSIYBWSYTWBY-QGZVFWFLSA-N 2 0 293.455 1.829 10 0 CDAERP CC(C)CC[NH2+]CC1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001717394091 1180646192 /nfs/dbraw/zinc/64/61/92/1180646192.db2.gz XPSPUMWLUJKIBW-UHFFFAOYSA-N 2 0 293.455 1.613 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001717424763 1180664989 /nfs/dbraw/zinc/66/49/89/1180664989.db2.gz KDHWOWCFKZHISN-KBPBESRZSA-N 2 0 269.433 1.777 10 0 CDAERP C[C@@H]([NH2+]CCOC1CCC1)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001717442032 1180675254 /nfs/dbraw/zinc/67/52/54/1180675254.db2.gz PWCHZBVHQDNAEV-KGLIPLIRSA-N 2 0 297.443 1.134 10 0 CDAERP CCCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001717618290 1180760915 /nfs/dbraw/zinc/76/09/15/1180760915.db2.gz ZKSCJTWQYXOBDD-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP CCCC[NH2+][C@H](CCNC(=O)[C@H]1CN(C)CCO1)C(C)C ZINC001717718598 1180804359 /nfs/dbraw/zinc/80/43/59/1180804359.db2.gz NCHNPFUFHUZWAE-HUUCEWRRSA-N 2 0 299.459 1.238 10 0 CDAERP O=C(CC[NH+]1CCCCC1)N[C@@H]1CC[C@@H](C[NH2+]CCF)C1 ZINC001717888169 1180913801 /nfs/dbraw/zinc/91/38/01/1180913801.db2.gz ZGFNKANLTMOJSR-HUUCEWRRSA-N 2 0 299.434 1.706 10 0 CDAERP CC(C)C[N@H+]1CC=C(CNC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001718031129 1180977606 /nfs/dbraw/zinc/97/76/06/1180977606.db2.gz MONSJASNTKOPJL-INIZCTEOSA-N 2 0 293.455 1.733 10 0 CDAERP CC1CC(C[NH2+]CCCN(C)C(=O)C[NH+]2CCCC2)C1 ZINC001723194334 1181526103 /nfs/dbraw/zinc/52/61/03/1181526103.db2.gz LKXOKKCZSANWPE-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001723967451 1181626275 /nfs/dbraw/zinc/62/62/75/1181626275.db2.gz RBGKYMBHQWMBOF-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CCC2CC2)C1 ZINC001724597273 1181700021 /nfs/dbraw/zinc/70/00/21/1181700021.db2.gz AQKKOMKNUBOWQS-ZBFHGGJFSA-N 2 0 295.471 1.812 10 0 CDAERP CCC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001724610772 1181704624 /nfs/dbraw/zinc/70/46/24/1181704624.db2.gz GWTJMQNKPJHVBE-KGLIPLIRSA-N 2 0 269.433 1.422 10 0 CDAERP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)[C@H](C)[NH2+]CC1CC1 ZINC001725094521 1181856858 /nfs/dbraw/zinc/85/68/58/1181856858.db2.gz PSXDQLDMPNKTOS-NWDGAFQWSA-N 2 0 267.417 1.364 10 0 CDAERP CN(C(=O)C1(C[NH+](C)C)CC1)[C@H](C[NH2+]CCF)C1CC1 ZINC001725467169 1182010365 /nfs/dbraw/zinc/01/03/65/1182010365.db2.gz MQKRYPVWCCQYPE-CYBMUJFWSA-N 2 0 285.407 1.124 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001725754455 1182121460 /nfs/dbraw/zinc/12/14/60/1182121460.db2.gz GBIMVOBFYGGPRK-VXGBXAGGSA-N 2 0 255.406 1.079 10 0 CDAERP C[N@H+](CCCF)CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001731247999 1182273661 /nfs/dbraw/zinc/27/36/61/1182273661.db2.gz IADRILXKYNYHOP-GJZGRUSLSA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)c1cc(CN(C)C)on1 ZINC001731251021 1182277179 /nfs/dbraw/zinc/27/71/79/1182277179.db2.gz FLUBGUPFPFNDDV-UHFFFAOYSA-N 2 0 296.415 1.444 10 0 CDAERP CCCCC[NH2+][C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001731592819 1182468041 /nfs/dbraw/zinc/46/80/41/1182468041.db2.gz YVZUVVAFNNWUNR-DZGCQCFKSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@@H](C(=O)NCC[N@H+](CC)CC=C(C)C)[NH+](C)C ZINC001731810758 1182599598 /nfs/dbraw/zinc/59/95/98/1182599598.db2.gz HWCIRSVXUPPMMI-AWEZNQCLSA-N 2 0 269.433 1.731 10 0 CDAERP CCOCC[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001731960427 1182700210 /nfs/dbraw/zinc/70/02/10/1182700210.db2.gz GXFCOGHPQRGQPV-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP C[C@@H](F)CC[NH2+]CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001731975095 1182710383 /nfs/dbraw/zinc/71/03/83/1182710383.db2.gz PITYRAFLFWSDSF-CHWSQXEVSA-N 2 0 273.396 1.124 10 0 CDAERP CCC[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001732199859 1182853720 /nfs/dbraw/zinc/85/37/20/1182853720.db2.gz SBYSPIHQFWJERV-ZIAGYGMSSA-N 2 0 269.433 1.754 10 0 CDAERP CC(C)OCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001732420461 1182956528 /nfs/dbraw/zinc/95/65/28/1182956528.db2.gz KERAJQLWXTYVME-RBSFLKMASA-N 2 0 299.459 1.188 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCCF ZINC001732424473 1182959077 /nfs/dbraw/zinc/95/90/77/1182959077.db2.gz ZSBGJNHHUCQSNX-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@H](CC[NH2+]C/C=C/Cl)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001732728766 1183101814 /nfs/dbraw/zinc/10/18/14/1183101814.db2.gz MNGJBFOCVUSKCU-QNTSXVQBSA-N 2 0 287.835 1.565 10 0 CDAERP CCC(CC)C[NH2+]CCN(CC)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001732810841 1183133041 /nfs/dbraw/zinc/13/30/41/1183133041.db2.gz KABASRKNAWCHQV-HNNXBMFYSA-N 2 0 283.460 1.812 10 0 CDAERP CCC[NH2+]C/C=C\CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001732907918 1183179936 /nfs/dbraw/zinc/17/99/36/1183179936.db2.gz FZUABOXAWGUBDN-XHPSBEMXSA-N 2 0 281.444 1.923 10 0 CDAERP CCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001733039329 1183256520 /nfs/dbraw/zinc/25/65/20/1183256520.db2.gz REPMBCUMEUKUDH-TZMCWYRMSA-N 2 0 267.417 1.175 10 0 CDAERP CC[C@H](C)C[NH2+]C1(CNC(=O)CC[NH+](C)C)CC1 ZINC001733260514 1183374337 /nfs/dbraw/zinc/37/43/37/1183374337.db2.gz ZLQITXZXPRVXKM-LBPRGKRZSA-N 2 0 255.406 1.223 10 0 CDAERP CCC[NH2+]CCN(CCO)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001733625904 1183482182 /nfs/dbraw/zinc/48/21/82/1183482182.db2.gz AOZMTBDVQIVYKW-HNNXBMFYSA-N 2 0 299.459 1.071 10 0 CDAERP CC(C)C[NH2+]CC[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001733662929 1183492354 /nfs/dbraw/zinc/49/23/54/1183492354.db2.gz TXYOSKVSGCOYOA-HNNXBMFYSA-N 2 0 295.471 1.812 10 0 CDAERP CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001734020197 1183615236 /nfs/dbraw/zinc/61/52/36/1183615236.db2.gz NHLWMSPVUGNSMQ-ZDUSSCGKSA-N 2 0 271.449 1.811 10 0 CDAERP CC[C@@H](C(=O)NCC1=CC[N@H+](CC)CC1)[NH+](CC)CC ZINC001734632488 1183855756 /nfs/dbraw/zinc/85/57/56/1183855756.db2.gz FWWVFFFHGBCCGU-HNNXBMFYSA-N 2 0 281.444 1.875 10 0 CDAERP C[NH+](C)CC(C)(C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001771917201 1186954040 /nfs/dbraw/zinc/95/40/40/1186954040.db2.gz QPFATZQIXVETQX-CQSZACIVSA-N 2 0 295.471 1.765 10 0 CDAERP C[C@@H](CCNC(=[NH2+])N[C@H]1C[C@H]1C)[NH+]1CCCCC1 ZINC000864462623 1164548468 /nfs/dbraw/zinc/54/84/68/1164548468.db2.gz NXYNDQJCPKHFKN-AGIUHOORSA-N 2 0 252.406 1.773 10 0 CDAERP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)CC1 ZINC000924965252 730434407 /nfs/dbraw/zinc/43/44/07/730434407.db2.gz IAHUMKJLHLPYLA-GVDBMIGSSA-N 2 0 277.456 1.958 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccccc2)CC[C@@H]1C[NH3+] ZINC000923506454 730439731 /nfs/dbraw/zinc/43/97/31/730439731.db2.gz FPCRCVJHPUHUNZ-GDBMZVCRSA-N 2 0 289.423 1.562 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000353687186 730439819 /nfs/dbraw/zinc/43/98/19/730439819.db2.gz LZVSMHWADVVIGX-AWEZNQCLSA-N 2 0 280.416 1.735 10 0 CDAERP C[C@@H]1C[C@@H](C)C[NH+](CCN2CCc3[nH+]ccc(N)c3C2)C1 ZINC000931515268 730442084 /nfs/dbraw/zinc/44/20/84/730442084.db2.gz CLULKZIYPPDDFK-ZIAGYGMSSA-N 2 0 288.439 2.000 10 0 CDAERP C[NH2+]CCCN1CC[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000872154666 730468841 /nfs/dbraw/zinc/46/88/41/730468841.db2.gz VEWITWZPGXLQLR-VHSXEESVSA-N 2 0 254.296 1.638 10 0 CDAERP CCN(CC)C(=O)[C@@H](C)[N@H+](C)CCCCCC[NH3+] ZINC000710782394 730469741 /nfs/dbraw/zinc/46/97/41/730469741.db2.gz UYOHEOYMCGDPEL-CYBMUJFWSA-N 2 0 257.422 1.694 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)[C@@H]1CC1(C)C ZINC000925853515 730502349 /nfs/dbraw/zinc/50/23/49/730502349.db2.gz ZLFHODAHAIYWKW-AVGNSLFASA-N 2 0 280.412 1.696 10 0 CDAERP CC(C)CNC(=O)CN1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866703097 1164811047 /nfs/dbraw/zinc/81/10/47/1164811047.db2.gz JDARQWAOTMZRQP-HNNXBMFYSA-N 2 0 269.433 1.456 10 0 CDAERP COCCN(C)CC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925575961 730546206 /nfs/dbraw/zinc/54/62/06/730546206.db2.gz HWAYCKAVUKPRAH-JKSUJKDBSA-N 2 0 283.460 1.323 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000711022267 730550385 /nfs/dbraw/zinc/55/03/85/730550385.db2.gz IICFWTFQPUHRAM-SYQHCUMBSA-N 2 0 265.401 1.199 10 0 CDAERP C[C@H](C(=O)NCc1cccs1)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923500135 730555094 /nfs/dbraw/zinc/55/50/94/730555094.db2.gz OFDKENIWDLZDDO-JHJVBQTASA-N 2 0 295.452 1.670 10 0 CDAERP CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000872144036 730556786 /nfs/dbraw/zinc/55/67/86/730556786.db2.gz AKMSSZHQIVCVBZ-GVRJEKJASA-N 2 0 282.428 1.630 10 0 CDAERP C[NH+]1CCC2(CC1)CC[NH+](C[C@]1(O)CCCOC1)CC2 ZINC000879250297 730615722 /nfs/dbraw/zinc/61/57/22/730615722.db2.gz CIHXXSNECWLUIA-MRXNPFEDSA-N 2 0 282.428 1.336 10 0 CDAERP CCCCOC[C@H](O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000715064001 730617151 /nfs/dbraw/zinc/61/71/51/730617151.db2.gz UPOSWVFSWVBPKK-ZNMIVQPWSA-N 2 0 270.417 1.238 10 0 CDAERP O=C(C[NH+]1CCCCCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000042288990 730627041 /nfs/dbraw/zinc/62/70/41/730627041.db2.gz CPPRSKSYJBWCBP-UHFFFAOYSA-N 2 0 293.455 1.996 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@@H]1C[NH2+]CCC1(F)F ZINC000925776498 730637234 /nfs/dbraw/zinc/63/72/34/730637234.db2.gz KTLIGQOMADMYEN-SRVKXCTJSA-N 2 0 261.360 1.338 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)N1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000868218298 730701098 /nfs/dbraw/zinc/70/10/98/730701098.db2.gz CZZCMBJWEKCWAX-UONOGXRCSA-N 2 0 282.432 1.062 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccc(F)nc1 ZINC000850353704 730722800 /nfs/dbraw/zinc/72/28/00/730722800.db2.gz KJVKFFNLJQEWJS-ZDUSSCGKSA-N 2 0 282.407 1.582 10 0 CDAERP COc1ccc([C@@H](N[C@@H]2C[NH2+]C[C@H]2C)[C@@H]2CCC[NH2+]2)cc1 ZINC000925784403 730730508 /nfs/dbraw/zinc/73/05/08/730730508.db2.gz NGFLUFIVVFGELZ-VJUNAUMWSA-N 2 0 289.423 1.686 10 0 CDAERP C[C@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)C1C[NH2+]C1 ZINC000925832698 730768328 /nfs/dbraw/zinc/76/83/28/730768328.db2.gz DKMZPKMRFUNFHC-WPRPVWTQSA-N 2 0 253.312 1.067 10 0 CDAERP CN(CC1CC1)C(=O)C[N@H+](C)CCCCCC[NH3+] ZINC000872155568 730772054 /nfs/dbraw/zinc/77/20/54/730772054.db2.gz QIYSCXWZVDJOOA-UHFFFAOYSA-N 2 0 255.406 1.306 10 0 CDAERP C(C[N@@H+]1CCOC[C@@H]1CC1CC1)[C@H]1CCC[NH2+]C1 ZINC000923554355 730849712 /nfs/dbraw/zinc/84/97/12/730849712.db2.gz NRVZLDLQONWPBL-CABCVRRESA-N 2 0 252.402 1.877 10 0 CDAERP CC1(C)CC[NH2+]CCN1C(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000872301154 730871079 /nfs/dbraw/zinc/87/10/79/730871079.db2.gz PXYCBBZCARVDNW-GFUIURDCSA-N 2 0 265.401 1.143 10 0 CDAERP CCN1C[C@H](C[NH+]2CCC(c3ncc[nH]3)CC2)OC1=O ZINC000846813960 730883156 /nfs/dbraw/zinc/88/31/56/730883156.db2.gz MIZPXJBBYOHAIU-LBPRGKRZSA-N 2 0 278.356 1.430 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)Nc1ccc2c(c1)C[NH2+]C2 ZINC000852883260 730891683 /nfs/dbraw/zinc/89/16/83/730891683.db2.gz WCESQXPITYAGME-UHFFFAOYSA-N 2 0 257.337 1.538 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCNc1ccccn1 ZINC000925125653 730905693 /nfs/dbraw/zinc/90/56/93/730905693.db2.gz KVLDYSKBMNYKPY-NNQSOWQGSA-N 2 0 260.385 1.423 10 0 CDAERP CCC[NH+]1CCC([N@H+](C)CCC(OC)OC)CC1 ZINC000851797387 730921554 /nfs/dbraw/zinc/92/15/54/730921554.db2.gz PWJZXTRNWBHMKB-UHFFFAOYSA-N 2 0 258.406 1.802 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)N[C@@H]1CC[NH2+]C12CCC2 ZINC000925668977 730931410 /nfs/dbraw/zinc/93/14/10/730931410.db2.gz MTGUMZRRIKFHRQ-UONOGXRCSA-N 2 0 253.434 1.981 10 0 CDAERP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925843881 730935110 /nfs/dbraw/zinc/93/51/10/730935110.db2.gz HMGSQXZQRPFZOQ-RDJZCZTQSA-N 2 0 294.487 1.134 10 0 CDAERP C[C@H]1C[C@H]1NC(=[NH2+])NCc1cccc(OCC[NH+](C)C)c1 ZINC000864452490 731020400 /nfs/dbraw/zinc/02/04/00/731020400.db2.gz HKHZZIVFDMAEAL-SWLSCSKDSA-N 2 0 290.411 1.649 10 0 CDAERP CC(C)C[C@@H]([NH3+])CNc1ccc(OCC[NH3+])cc1 ZINC000841053940 731027609 /nfs/dbraw/zinc/02/76/09/731027609.db2.gz CVFRDMAYTLOVSZ-GFCCVEGCSA-N 2 0 251.374 1.809 10 0 CDAERP [NH3+]CCC1CC[NH+](C[C@H](O)CC2CCCC2)CC1 ZINC000232148543 731032855 /nfs/dbraw/zinc/03/28/55/731032855.db2.gz ZMNQASHCUSIGGH-OAHLLOKOSA-N 2 0 254.418 1.988 10 0 CDAERP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000841011852 731032876 /nfs/dbraw/zinc/03/28/76/731032876.db2.gz PNFKCACSWQQNJF-UONOGXRCSA-N 2 0 270.417 1.835 10 0 CDAERP C[NH2+]C[C@](C)(O)CN1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000872146626 731037001 /nfs/dbraw/zinc/03/70/01/731037001.db2.gz SWJOURZUSUVBEY-CJNGLKHVSA-N 2 0 294.443 1.683 10 0 CDAERP CC(C)[C@@H](C)NC(=O)C[N@H+](C)CCCCCC[NH3+] ZINC000710781559 731053261 /nfs/dbraw/zinc/05/32/61/731053261.db2.gz OIZSZWFWPZSJNI-CYBMUJFWSA-N 2 0 257.422 1.598 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)CN1CC[C@](C)(C(F)(F)F)C1 ZINC000708978940 731080260 /nfs/dbraw/zinc/08/02/60/731080260.db2.gz RXIXQFDCHNZTAY-RYUDHWBXSA-N 2 0 282.350 1.962 10 0 CDAERP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCC(=O)Nc1ccc(F)cc1)C2 ZINC000872153194 731096966 /nfs/dbraw/zinc/09/69/66/731096966.db2.gz BAKUOYKOYZIAHP-BLLLJJGKSA-N 2 0 291.370 1.696 10 0 CDAERP CC1(C)C[NH2+]CC[C@H](NC(=O)C=C2CC[NH2+]CC2)C1 ZINC000872276125 731103229 /nfs/dbraw/zinc/10/32/29/731103229.db2.gz UVOJGABYTLTFSS-ZDUSSCGKSA-N 2 0 265.401 1.191 10 0 CDAERP C[N@H+](CCCCCC[NH3+])CC(=O)Nc1ccc(O)cc1 ZINC000846218897 731111453 /nfs/dbraw/zinc/11/14/53/731111453.db2.gz XYJCGVOWKABGQY-UHFFFAOYSA-N 2 0 279.384 1.782 10 0 CDAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872288019 731113487 /nfs/dbraw/zinc/11/34/87/731113487.db2.gz RVKCIWXEKDWDHQ-RNJOBUHISA-N 2 0 253.390 1.008 10 0 CDAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CC1CC=CC1)CC2 ZINC000923446702 731132412 /nfs/dbraw/zinc/13/24/12/731132412.db2.gz NBLOGVMZUWISQO-CQSZACIVSA-N 2 0 250.386 1.782 10 0 CDAERP CCCCCC(C)(C)C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000819148414 731151625 /nfs/dbraw/zinc/15/16/25/731151625.db2.gz WNAHCNYJVAZMFI-MRXNPFEDSA-N 2 0 299.503 1.791 10 0 CDAERP CCc1cc(N[C@H]2CC[N@H+](CC(C)(C)O)C2)cc[nH+]1 ZINC000865997010 731178639 /nfs/dbraw/zinc/17/86/39/731178639.db2.gz UMKXEPVCBJYFDW-AWEZNQCLSA-N 2 0 263.385 1.323 10 0 CDAERP CCOCCOCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000927087578 731267025 /nfs/dbraw/zinc/26/70/25/731267025.db2.gz SVDKJOMFDMYOKK-KFWWJZLASA-N 2 0 270.417 1.502 10 0 CDAERP C[C@@H](CN[C@H]1CC[NH2+]C12CCC2)C[NH+]1CCCC1 ZINC000925480830 731327640 /nfs/dbraw/zinc/32/76/40/731327640.db2.gz NVWYBSVVQHVPAH-KBPBESRZSA-N 2 0 251.418 1.593 10 0 CDAERP CCCN1CCC[C@H]1C[NH2+][C@@H]1CCOC12CCOCC2 ZINC000926418384 731368703 /nfs/dbraw/zinc/36/87/03/731368703.db2.gz NEANQQVMMCJZMF-LSDHHAIUSA-N 2 0 282.428 1.789 10 0 CDAERP [NH3+]CCC[N@H+](CCO[C@H]1CCOC1)Cc1ccccc1 ZINC000724938068 731389188 /nfs/dbraw/zinc/38/91/88/731389188.db2.gz XTZWOLVBBAOICJ-INIZCTEOSA-N 2 0 278.396 1.643 10 0 CDAERP Cn1nnc2c1C[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)CC2 ZINC000925892930 731390665 /nfs/dbraw/zinc/39/06/65/731390665.db2.gz IABSNJWAKROUOQ-AAVRWANBSA-N 2 0 289.427 1.183 10 0 CDAERP COc1ccc2c(c1)[C@@H]([NH2+]CCN1CCC([NH3+])CC1)CC2 ZINC000925808682 731392788 /nfs/dbraw/zinc/39/27/88/731392788.db2.gz CUINGMKVOSOSFU-KRWDZBQOSA-N 2 0 289.423 1.695 10 0 CDAERP CC/C=C(/F)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870017397 731401499 /nfs/dbraw/zinc/40/14/99/731401499.db2.gz MMVCWVFIGIBELP-CWFACMBSSA-N 2 0 285.407 1.448 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCCCCCCC[NH+](C)C ZINC000841742691 731403085 /nfs/dbraw/zinc/40/30/85/731403085.db2.gz ZZINHBGRCFERPF-CABCVRRESA-N 2 0 298.475 1.796 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000925335240 731405876 /nfs/dbraw/zinc/40/58/76/731405876.db2.gz SLIWXYBICXODQV-CHWSQXEVSA-N 2 0 270.421 1.062 10 0 CDAERP CC[NH+]1CCC(C[NH2+][C@@H]2C[C@H](C)n3ncnc32)CC1 ZINC000924955948 731408342 /nfs/dbraw/zinc/40/83/42/731408342.db2.gz VPWJICGYTNIGFC-WCQYABFASA-N 2 0 263.389 1.605 10 0 CDAERP CCC[NH2+]CCNC(=O)C[C@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000841849367 731446585 /nfs/dbraw/zinc/44/65/85/731446585.db2.gz OTCMLFAYTNADKF-LBPRGKRZSA-N 2 0 298.818 1.549 10 0 CDAERP C[C@H]1CC2(C[N@@H+]1CCO[C@@H]1CCOC1)CC[NH2+]CC2 ZINC000923384087 731461261 /nfs/dbraw/zinc/46/12/61/731461261.db2.gz SCHBUCGQZPXAQQ-UONOGXRCSA-N 2 0 268.401 1.256 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000925502068 731472248 /nfs/dbraw/zinc/47/22/48/731472248.db2.gz DVKKCWZMCOTGHM-QLFBSQMISA-N 2 0 265.445 1.981 10 0 CDAERP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1cn2c(n1)CCCC2 ZINC000926256664 731474495 /nfs/dbraw/zinc/47/44/95/731474495.db2.gz XVCANTYIXUPGHL-CYBMUJFWSA-N 2 0 280.416 1.448 10 0 CDAERP Cc1nccn1-c1ccc(CNC(=[NH2+])N[C@H]2C[C@H]2C)cn1 ZINC000864452787 731481678 /nfs/dbraw/zinc/48/16/78/731481678.db2.gz JLPOBVYHURIVSA-MFKMUULPSA-N 2 0 284.367 1.598 10 0 CDAERP CC(C)CC[C@@H]([NH3+])C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712627866 731511125 /nfs/dbraw/zinc/51/11/25/731511125.db2.gz WHCCHKFDLJYTEX-CYBMUJFWSA-N 2 0 269.433 1.693 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)/C=C/CN1CCOCC1 ZINC000869302179 731512860 /nfs/dbraw/zinc/51/28/60/731512860.db2.gz QXCOUXNZRAUOMG-VOTSOKGWSA-N 2 0 297.443 1.111 10 0 CDAERP CCN1CC[NH+](CCCC[NH2+]Cc2ccnc(F)c2)CC1 ZINC000858096427 731645949 /nfs/dbraw/zinc/64/59/49/731645949.db2.gz CLAJWXNAGGNSSR-UHFFFAOYSA-N 2 0 294.418 1.728 10 0 CDAERP Cn1cc(CC[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)c2cccnc21 ZINC000925728470 731705859 /nfs/dbraw/zinc/70/58/59/731705859.db2.gz VNZXPTQVDBEDCV-CABCVRRESA-N 2 0 284.407 1.975 10 0 CDAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C[C@@H]1C[C@H]1C1CC1 ZINC000878968916 731717924 /nfs/dbraw/zinc/71/79/24/731717924.db2.gz FPMCYJOIYYGSPY-GJZGRUSLSA-N 2 0 281.444 1.374 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@@H]2CCCc3ccc(O)cc32)CC1 ZINC000925813239 731776876 /nfs/dbraw/zinc/77/68/76/731776876.db2.gz TZQIWURDTPOBRR-QGZVFWFLSA-N 2 0 289.423 1.782 10 0 CDAERP CCCCOC[C@H](O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000227910096 731792963 /nfs/dbraw/zinc/79/29/63/731792963.db2.gz BWSIHAWWJRAJAZ-OAGGEKHMSA-N 2 0 284.444 1.628 10 0 CDAERP Cn1cnc(CCC[NH2+][C@H]2CCCN3CCCC[C@H]23)n1 ZINC000926631511 731811507 /nfs/dbraw/zinc/81/15/07/731811507.db2.gz QRWAEGOOHMHFCW-UONOGXRCSA-N 2 0 277.416 1.354 10 0 CDAERP [NH3+]C[C@@H]1CN(C[C@H](O)CC(F)(F)F)C[C@@H]1C(F)(F)F ZINC000720860304 731814847 /nfs/dbraw/zinc/81/48/47/731814847.db2.gz VZPKNGHHTDGYLY-PRJMDXOYSA-N 2 0 294.239 1.369 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)N(C)c2ccccc2)CC[C@@H]1C[NH3+] ZINC000923510661 731834354 /nfs/dbraw/zinc/83/43/54/731834354.db2.gz WFHYPLNWSURYPX-ZIAGYGMSSA-N 2 0 275.396 1.566 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C=C1CC[NH2+]CC1 ZINC000852868503 731837731 /nfs/dbraw/zinc/83/77/31/731837731.db2.gz HNVJQQRMAGUCME-OAHLLOKOSA-N 2 0 279.428 1.677 10 0 CDAERP C[C@@H]1CC[C@H](C[NH3+])N(C[C@@H](O)COc2ccccc2)[C@H]1C ZINC000923423210 731852016 /nfs/dbraw/zinc/85/20/16/731852016.db2.gz KDPSGABMPWSHRQ-QKPAOTATSA-N 2 0 292.423 1.874 10 0 CDAERP COC(=O)CC1(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)CC1 ZINC000923450207 731853012 /nfs/dbraw/zinc/85/30/12/731853012.db2.gz FHNYZJUIWGZCRT-ZDUSSCGKSA-N 2 0 296.411 1.160 10 0 CDAERP CC(C)(C)CCC[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866712936 731853899 /nfs/dbraw/zinc/85/38/99/731853899.db2.gz YOASLRMKOFYQMD-MJBXVCDLSA-N 2 0 295.427 1.680 10 0 CDAERP COC1CCC([NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)CC1 ZINC000925858581 731864020 /nfs/dbraw/zinc/86/40/20/731864020.db2.gz VDGMQRTWZHUWJM-JXQTWKCFSA-N 2 0 296.411 1.219 10 0 CDAERP CCOCCOCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000927087580 731881361 /nfs/dbraw/zinc/88/13/61/731881361.db2.gz SVDKJOMFDMYOKK-RRFJBIMHSA-N 2 0 270.417 1.502 10 0 CDAERP C[NH2+]CC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702107921 731888290 /nfs/dbraw/zinc/88/82/90/731888290.db2.gz CJSUDFDPRAPFON-DOTOQJQBSA-N 2 0 287.407 1.186 10 0 CDAERP CC(C)C(=O)NC[C@@H]1CCC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261950855 731891757 /nfs/dbraw/zinc/89/17/57/731891757.db2.gz FXNVRBFDNLXANR-GOEBONIOSA-N 2 0 281.444 1.470 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000852890809 731910069 /nfs/dbraw/zinc/91/00/69/731910069.db2.gz MDCWVERPVMWMTL-GJZGRUSLSA-N 2 0 277.412 1.287 10 0 CDAERP Cc1nc2n(n1)C[C@@H]([NH2+][C@@H]1[C@@H]3CCC[NH2+][C@@H]3C1(C)C)CC2 ZINC000925575966 731970099 /nfs/dbraw/zinc/97/00/99/731970099.db2.gz HWPZGLQYBSZRPR-MYZSUADSSA-N 2 0 289.427 1.268 10 0 CDAERP CCCCOC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923495605 731981521 /nfs/dbraw/zinc/98/15/21/731981521.db2.gz CVFVPBOPHLABSA-RWMBFGLXSA-N 2 0 256.390 1.635 10 0 CDAERP C[NH2+]Cc1ccccc1NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872255823 732025819 /nfs/dbraw/zinc/02/58/19/732025819.db2.gz GHMHDYSBPCOJDY-XUJVJEKNSA-N 2 0 259.353 1.472 10 0 CDAERP Cc1c[nH+]ccc1N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000866012098 732052156 /nfs/dbraw/zinc/05/21/56/732052156.db2.gz QDMKWLFZLLTMAQ-HUUCEWRRSA-N 3 0 276.428 1.566 10 0 CDAERP CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2CCC[C@@H]2O)CC1 ZINC000835084668 732067004 /nfs/dbraw/zinc/06/70/04/732067004.db2.gz QARAFIIOEMVPHQ-OCCSQVGLSA-N 2 0 254.418 2.000 10 0 CDAERP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711318072 732073232 /nfs/dbraw/zinc/07/32/32/732073232.db2.gz TUOFNCJSNWAFEQ-UONOGXRCSA-N 2 0 283.460 1.859 10 0 CDAERP CC[C@@H](C[NH+](C)C)OC(=O)CN(C)[C@H]1CCSC1 ZINC000870553809 732084578 /nfs/dbraw/zinc/08/45/78/732084578.db2.gz RVUGFHBNLOJXBI-RYUDHWBXSA-N 2 0 274.430 1.307 10 0 CDAERP Cc1ccc(NCC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)nc1 ZINC000925877807 732085949 /nfs/dbraw/zinc/08/59/49/732085949.db2.gz MEUGGXWZQCYYIB-CHWSQXEVSA-N 2 0 260.385 1.661 10 0 CDAERP CCCCOC[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000227910138 732096440 /nfs/dbraw/zinc/09/64/40/732096440.db2.gz VWGSOIINVHBXIS-KBPBESRZSA-N 2 0 258.406 1.095 10 0 CDAERP CC1(C)CCC[C@@H]([NH2+]CCN2CCC([NH3+])CC2)C1 ZINC000925809886 732100353 /nfs/dbraw/zinc/10/03/53/732100353.db2.gz BTHNKJVFPLFIAD-CQSZACIVSA-N 2 0 253.434 1.968 10 0 CDAERP CC[C@H](CCO)[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925622664 732126254 /nfs/dbraw/zinc/12/62/54/732126254.db2.gz MGVFTCRKDDXZLG-KFWWJZLASA-N 2 0 254.418 1.905 10 0 CDAERP C[C@@H]1C[C@H](CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)CC[NH2+]1 ZINC000261586884 732174604 /nfs/dbraw/zinc/17/46/04/732174604.db2.gz URGIZEUYCJUYQY-BARDWOONSA-N 2 0 251.418 1.543 10 0 CDAERP COC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)[C@H]1CCCOC1 ZINC000925781059 732190958 /nfs/dbraw/zinc/19/09/58/732190958.db2.gz WHIOETVWGVQHFZ-XDQVBPFNSA-N 2 0 268.401 1.288 10 0 CDAERP CCS[C@@H]1CC[C@@H]([N@H+](C)C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923314398 732193742 /nfs/dbraw/zinc/19/37/42/732193742.db2.gz HAXNLDQAZXRZGY-HZSPNIEDSA-N 2 0 284.469 1.971 10 0 CDAERP C[NH+]1CCC2(CCC[N@H+](C[C@H](O)CC3(O)CCC3)C2)CC1 ZINC000859292041 732207799 /nfs/dbraw/zinc/20/77/99/732207799.db2.gz RBXZEHDRNBCLAQ-OAHLLOKOSA-N 2 0 296.455 1.460 10 0 CDAERP C[C@H]1C[C@@H](N2CCc3sc(C[NH3+])nc3C2)C[N@@H+]1C1CC1 ZINC000710205125 732222470 /nfs/dbraw/zinc/22/24/70/732222470.db2.gz ASWBMVHFRNEGBM-CMPLNLGQSA-N 2 0 292.452 1.585 10 0 CDAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000711022273 732225346 /nfs/dbraw/zinc/22/53/46/732225346.db2.gz IICFWTFQPUHRAM-XDQVBPFNSA-N 2 0 265.401 1.199 10 0 CDAERP COc1ccc([C@H](C[NH3+])C[N@@H+]2C[C@@H](O)CC(C)(C)C2)cc1 ZINC000866702384 732300591 /nfs/dbraw/zinc/30/05/91/732300591.db2.gz AIDWNQCEGXKZKK-CABCVRRESA-N 2 0 292.423 1.830 10 0 CDAERP CC[C@](C)(O)C[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880258956 732328568 /nfs/dbraw/zinc/32/85/68/732328568.db2.gz FFBPOPXVBMRWCP-ZFWWWQNUSA-N 2 0 263.385 1.753 10 0 CDAERP CCC1([NH3+])CCN([C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000714759030 732330880 /nfs/dbraw/zinc/33/08/80/732330880.db2.gz QFWLHSFTGJYJAU-OCCSQVGLSA-N 2 0 251.418 1.815 10 0 CDAERP COC1CC(C[N@@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)C1 ZINC000720855291 732373612 /nfs/dbraw/zinc/37/36/12/732373612.db2.gz BEHUWYODUXNOKM-QONHTCSSSA-N 2 0 266.307 1.480 10 0 CDAERP C[C@@H]1C[N@H+](Cc2nc3c(o2)CCCC3)CC[C@@H]1C[NH3+] ZINC000923488069 732482043 /nfs/dbraw/zinc/48/20/43/732482043.db2.gz CYYVNJCKQADPPK-VXGBXAGGSA-N 2 0 263.385 1.970 10 0 CDAERP FC(F)(F)SCC[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000306078490 732509140 /nfs/dbraw/zinc/50/91/40/732509140.db2.gz BMRZHYSOMZWOFI-JTQLQIEISA-N 2 0 283.363 1.219 10 0 CDAERP C[NH+](C)CCC1CC[NH+](CCOC(F)F)CC1 ZINC000851734266 732513430 /nfs/dbraw/zinc/51/34/30/732513430.db2.gz PTDTXQXYYFXDFM-UHFFFAOYSA-N 2 0 250.333 1.889 10 0 CDAERP CO[C@H]1C[C@@H](C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000721930846 732581499 /nfs/dbraw/zinc/58/14/99/732581499.db2.gz GCIPDLXFWOHTQV-VHDGCEQUSA-N 2 0 252.402 1.875 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@H]2CCC2(OC)OC)CC1 ZINC000924953474 732597796 /nfs/dbraw/zinc/59/77/96/732597796.db2.gz CDCJYUMGKMSVQN-AWEZNQCLSA-N 2 0 270.417 1.850 10 0 CDAERP CC(C)OCC[C@H](O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000923413076 732639493 /nfs/dbraw/zinc/63/94/93/732639493.db2.gz BFKZPULSVQJCLC-KKUMJFAQSA-N 2 0 270.417 1.236 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000710879226 732683425 /nfs/dbraw/zinc/68/34/25/732683425.db2.gz CMJMYEUHXPNSDZ-TUVASFSCSA-N 2 0 279.428 1.589 10 0 CDAERP CCOC(=O)CCCCC[N@@H+]1C[C@@H](N)C(C)(C)C1 ZINC000720831399 732742070 /nfs/dbraw/zinc/74/20/70/732742070.db2.gz VIZCZTVPANFMLS-GFCCVEGCSA-N 2 0 256.390 1.779 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)N(C)OC)[C@H](C)C1 ZINC000799139800 732748588 /nfs/dbraw/zinc/74/85/88/732748588.db2.gz LLMISCGNWWTDTG-CHWSQXEVSA-N 2 0 271.405 1.058 10 0 CDAERP O=C1O[C@H](C[NH2+]C2CCCC2)CC12CC[NH2+]CC2 ZINC000925854146 732749546 /nfs/dbraw/zinc/74/95/46/732749546.db2.gz LCGDYMACWYCSMP-LBPRGKRZSA-N 2 0 252.358 1.204 10 0 CDAERP Nc1cc[nH+]c2c1CN(CCC[NH+]1CCCCC1)CC2 ZINC000931518615 732762741 /nfs/dbraw/zinc/76/27/41/732762741.db2.gz NCSSEIJLONZNRL-UHFFFAOYSA-N 2 0 274.412 1.898 10 0 CDAERP CON(C)C(=O)CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000799123814 732806742 /nfs/dbraw/zinc/80/67/42/732806742.db2.gz GGWSHXNSDRUUPV-AWEZNQCLSA-N 2 0 283.416 1.204 10 0 CDAERP O=C(NC12CC[NH+](CC1)C2)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000913633805 732819486 /nfs/dbraw/zinc/81/94/86/732819486.db2.gz PDMGCBLAZVGZJI-HNNXBMFYSA-N 2 0 291.439 1.748 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000926718872 732827657 /nfs/dbraw/zinc/82/76/57/732827657.db2.gz NWRAYGLZUWUGKZ-NUCGDHGJSA-N 2 0 293.455 1.170 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)OCc1cccnc1N ZINC000922724407 732872564 /nfs/dbraw/zinc/87/25/64/732872564.db2.gz BVNQAVKDGZMBNA-ZDUSSCGKSA-N 2 0 277.368 1.972 10 0 CDAERP C[C@@H](O)C[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1CCCCC1 ZINC000923313367 732899968 /nfs/dbraw/zinc/89/99/68/732899968.db2.gz XKAJAWLEOOVIOW-UKRRQHHQSA-N 2 0 282.428 1.380 10 0 CDAERP CC(C)C[N@H+](C[C@H](O)[C@H](C)O)CC1CC[NH+](C)CC1 ZINC000931564653 732957283 /nfs/dbraw/zinc/95/72/83/732957283.db2.gz MLKIGGDBXBQLOB-ZFWWWQNUSA-N 2 0 272.433 1.028 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCC[NH+]3C)CC[N@@H+]1C ZINC000874822917 732972375 /nfs/dbraw/zinc/97/23/75/732972375.db2.gz DPNPQKDHTXJPBP-XGUBFFRZSA-N 2 0 279.428 1.412 10 0 CDAERP [NH3+]C1CCC([NH2+][C@H]2CCCN3CCSC[C@H]23)CC1 ZINC000718348959 732986803 /nfs/dbraw/zinc/98/68/03/732986803.db2.gz DGVVLMMCGWYCQV-CLRIEMFWSA-N 2 0 269.458 1.426 10 0 CDAERP Cc1cc(NC(=O)C[N@H+](C)CCCCCC[NH3+])n(C)n1 ZINC000872155322 733002266 /nfs/dbraw/zinc/00/22/66/733002266.db2.gz HZOFYFTWMKPVLX-UHFFFAOYSA-N 2 0 281.404 1.118 10 0 CDAERP CCCCC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870023526 733003005 /nfs/dbraw/zinc/00/30/05/733003005.db2.gz BGNCVXMGVKJDPN-ZIAGYGMSSA-N 2 0 269.433 1.374 10 0 CDAERP C1C[NH2+][C@H]([C@@H]2CCC[C@@H]2[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)C1 ZINC000873217464 733008654 /nfs/dbraw/zinc/00/86/54/733008654.db2.gz MLCQLGPXNKZHLM-YBRAEQMSSA-N 2 0 276.424 1.920 10 0 CDAERP C(C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)O[C@H]1CCOC1 ZINC000923357879 733021194 /nfs/dbraw/zinc/02/11/94/733021194.db2.gz VEVNQHUEMBWTPE-GJZGRUSLSA-N 2 0 268.401 1.113 10 0 CDAERP CO[C@@H]1CC[C@@H]1[N@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000724153681 733022756 /nfs/dbraw/zinc/02/27/56/733022756.db2.gz SAKVDZOTGBXBDG-YHUYYLMFSA-N 2 0 278.396 1.027 10 0 CDAERP C[C@H]1C[C@H](NC(=O)C=C2CC[NH2+]CC2)C[N@@H+]1C1CC1 ZINC000852872850 733023697 /nfs/dbraw/zinc/02/36/97/733023697.db2.gz SKUYBXQQBMMWEA-AAEUAGOBSA-N 2 0 263.385 1.038 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@@H]2CCCN[C@H]2C)CC1 ZINC000925490460 733036961 /nfs/dbraw/zinc/03/69/61/733036961.db2.gz BTHYWANJRBSXMC-DZGCQCFKSA-N 2 0 253.434 1.839 10 0 CDAERP CCC(C)(C)NC(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000227768126 733057952 /nfs/dbraw/zinc/05/79/52/733057952.db2.gz YZKQBNBYVFNGBL-NWDGAFQWSA-N 2 0 255.406 1.208 10 0 CDAERP CC(C)[NH2+]CCC(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000870991346 733078776 /nfs/dbraw/zinc/07/87/76/733078776.db2.gz DWJWFPJRSGZYRO-HNNXBMFYSA-N 2 0 269.433 1.598 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1C[NH2+]CC1(C)C)C[NH+]1CCCC1 ZINC000711270125 733097820 /nfs/dbraw/zinc/09/78/20/733097820.db2.gz BGOPRYOWUFSSCM-QWHCGFSZSA-N 2 0 267.417 1.080 10 0 CDAERP C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000923410875 733111535 /nfs/dbraw/zinc/11/15/35/733111535.db2.gz LBFAMPADDZYVFF-MPKXVKKWSA-N 2 0 252.333 1.386 10 0 CDAERP [NH3+][C@@H]1CN(CC2CCOCC2)CC[C@@H]1C(F)(F)F ZINC000717110355 733153555 /nfs/dbraw/zinc/15/35/55/733153555.db2.gz PBZXVMUBXRGDSN-WDEREUQCSA-N 2 0 266.307 1.625 10 0 CDAERP C[C@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C1CCC1 ZINC000870017849 1165133778 /nfs/dbraw/zinc/13/37/78/1165133778.db2.gz SLJIDAKRKYUUFL-NUEKZKHPSA-N 2 0 295.471 1.620 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870949752 1165239252 /nfs/dbraw/zinc/23/92/52/1165239252.db2.gz PAYKFFRAEJFDCN-NNUKFRKNSA-N 2 0 275.396 1.540 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CCC[C@H]2CCOC2=O)CC[N@@H+]1C ZINC000872116924 1165382250 /nfs/dbraw/zinc/38/22/50/1165382250.db2.gz NJYQVYGUABBETK-AGIUHOORSA-N 2 0 254.374 1.402 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC001632943197 1166386573 /nfs/dbraw/zinc/38/65/73/1166386573.db2.gz OXENAAKUDLVYIQ-CYBMUJFWSA-N 2 0 269.433 1.374 10 0 CDAERP CCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001569820699 1167567221 /nfs/dbraw/zinc/56/72/21/1167567221.db2.gz UDRQMNYJBBLVFI-LSDHHAIUSA-N 2 0 295.471 1.955 10 0 CDAERP CCOCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001566904685 1168040379 /nfs/dbraw/zinc/04/03/79/1168040379.db2.gz IDYUNVUVUWKEDQ-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)CC[NH2+]C[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001567148161 1168047020 /nfs/dbraw/zinc/04/70/20/1168047020.db2.gz OOXOLRNIOAOEEF-CVEARBPZSA-N 2 0 295.471 1.812 10 0 CDAERP CC(C)[NH2+][C@@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001567059039 1168538892 /nfs/dbraw/zinc/53/88/92/1168538892.db2.gz FOYWCXRGWBJCFT-KBPBESRZSA-N 2 0 269.433 1.754 10 0 CDAERP CC/C=C\CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001567209002 1168620763 /nfs/dbraw/zinc/62/07/63/1168620763.db2.gz VXVGKOXLARCJMM-JGUVHBTRSA-N 2 0 281.444 1.921 10 0 CDAERP C[NH+](C)CCCCC(=O)NC[C@H]1CC[N@H+](CC2CC2)C1 ZINC001567417857 1168743038 /nfs/dbraw/zinc/74/30/38/1168743038.db2.gz GNSUBDDTCOUGQX-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001266518196 895198814 /nfs/dbraw/zinc/19/88/14/895198814.db2.gz WEQDCTQXOHEIJY-ZIAGYGMSSA-N 2 0 267.417 1.319 10 0 CDAERP CC[C@@H](F)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001266699758 895857563 /nfs/dbraw/zinc/85/75/63/895857563.db2.gz NZKKZFGKAWCPTC-ZIAGYGMSSA-N 2 0 287.423 1.655 10 0 CDAERP CC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001267009706 896545518 /nfs/dbraw/zinc/54/55/18/896545518.db2.gz RKQJSOSTNQEULD-NTBLUZEKSA-N 2 0 293.455 1.873 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H](C[NH2+]CCCF)C2)C1 ZINC001267064055 896667511 /nfs/dbraw/zinc/66/75/11/896667511.db2.gz CDRNPQJUMPPXOT-UONOGXRCSA-N 2 0 285.407 1.126 10 0 CDAERP CCCCC[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001267072188 896690838 /nfs/dbraw/zinc/69/08/38/896690838.db2.gz UVVLQRRBNWDEIN-ZDUSSCGKSA-N 2 0 255.406 1.176 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NCCC[C@H]2CCC[NH+]2CCF)C1 ZINC001267175032 897008834 /nfs/dbraw/zinc/00/88/34/897008834.db2.gz OCBJNPNDCLDIKP-CABCVRRESA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)[N@H+](CCCF)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001267514272 898198330 /nfs/dbraw/zinc/19/83/30/898198330.db2.gz LCHUVKNMFNDYAC-CQSZACIVSA-N 2 0 287.423 1.514 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC001481095760 898815548 /nfs/dbraw/zinc/81/55/48/898815548.db2.gz KTRHJYMETRXWTL-KGLIPLIRSA-N 2 0 287.423 1.513 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001481109627 898872789 /nfs/dbraw/zinc/87/27/89/898872789.db2.gz BTGWEKDPUSDLEA-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001481123175 898934356 /nfs/dbraw/zinc/93/43/56/898934356.db2.gz OQIZYUMXXQEGQY-JKSUJKDBSA-N 2 0 295.471 1.812 10 0 CDAERP CCC[NH2+]C[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001267989335 900207160 /nfs/dbraw/zinc/20/71/60/900207160.db2.gz ANDXXSRBEYXDHB-AWEZNQCLSA-N 2 0 281.444 1.614 10 0 CDAERP CN(CC[NH2+]CC1CCCCC1)C(=O)Cc1ncc[nH]1 ZINC001481295214 900222869 /nfs/dbraw/zinc/22/28/69/900222869.db2.gz OZPKZOHYPFNEBK-UHFFFAOYSA-N 2 0 278.400 1.581 10 0 CDAERP CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001481432487 900651504 /nfs/dbraw/zinc/65/15/04/900651504.db2.gz MPFGYBXKKMRHRQ-HZSPNIEDSA-N 2 0 267.417 1.175 10 0 CDAERP C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1[NH2+]CCCF ZINC001268136534 901378349 /nfs/dbraw/zinc/37/83/49/901378349.db2.gz YLAXDWSKJRJXSO-UONOGXRCSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001481696707 901823129 /nfs/dbraw/zinc/82/31/29/901823129.db2.gz NJONGXZZTGRNDL-AWEZNQCLSA-N 2 0 269.433 1.563 10 0 CDAERP CCN(CC[NH2+]CC=C(C)C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268472444 902250553 /nfs/dbraw/zinc/25/05/53/902250553.db2.gz SADFIOXMIVZVTR-HNNXBMFYSA-N 2 0 281.444 1.875 10 0 CDAERP CC(C)C[NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCCC1 ZINC001481912283 902305765 /nfs/dbraw/zinc/30/57/65/902305765.db2.gz LJMUADNETAGPCE-UHFFFAOYSA-N 2 0 281.444 1.757 10 0 CDAERP CC/C=C\CC[NH2+]CCN(CC)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001268496984 902395490 /nfs/dbraw/zinc/39/54/90/902395490.db2.gz BOABAEQAAHLRDD-XHPSBEMXSA-N 2 0 281.444 1.733 10 0 CDAERP CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001268771651 903107696 /nfs/dbraw/zinc/10/76/96/903107696.db2.gz NRGGUNGHHQRUPN-QWHCGFSZSA-N 2 0 255.406 1.223 10 0 CDAERP CC(C)=CC[N@@H+]1CC[C@H]1CNC(=O)CCn1ccnc1 ZINC001269266512 903629320 /nfs/dbraw/zinc/62/93/20/903629320.db2.gz DHLLCOCZIQUCSX-AWEZNQCLSA-N 2 0 276.384 1.430 10 0 CDAERP CC(C)=CC[N@@H+]1CC[C@@H]1CNC(=O)Cc1[nH]cnc1C ZINC001269338693 903715236 /nfs/dbraw/zinc/71/52/36/903715236.db2.gz SOKBNGJKVDMCML-CYBMUJFWSA-N 2 0 276.384 1.417 10 0 CDAERP CCCCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001269343844 903719058 /nfs/dbraw/zinc/71/90/58/903719058.db2.gz PGVGBRRHUQWWAI-KGLIPLIRSA-N 2 0 267.417 1.319 10 0 CDAERP CCCC[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001269378964 903759118 /nfs/dbraw/zinc/75/91/18/903759118.db2.gz ZJINLSVAWZJDPD-CHWSQXEVSA-N 2 0 255.406 1.365 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001362789929 904062916 /nfs/dbraw/zinc/06/29/16/904062916.db2.gz XUQOWOUQLWGMMS-SOUVJXGZSA-N 2 0 283.460 1.952 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001270121652 904375170 /nfs/dbraw/zinc/37/51/70/904375170.db2.gz NGZVAZJHPDQUGA-KKUMJFAQSA-N 2 0 281.444 1.707 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CCF ZINC001482292032 904672310 /nfs/dbraw/zinc/67/23/10/904672310.db2.gz JCLGSMZCUZIQHX-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP CCCCC[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001270624385 904834290 /nfs/dbraw/zinc/83/42/90/904834290.db2.gz PGTTXOLCHMYJHN-OAHLLOKOSA-N 2 0 269.433 1.709 10 0 CDAERP CC(C)C[C@@H](C[NH2+]C(C)C)NC(=O)C[N@H+](C)C(C)C ZINC001482401569 905298892 /nfs/dbraw/zinc/29/88/92/905298892.db2.gz WAFUNKWOVJVWFA-AWEZNQCLSA-N 2 0 271.449 1.856 10 0 CDAERP CC(C)[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001482439954 905424626 /nfs/dbraw/zinc/42/46/26/905424626.db2.gz YCXNRCCCZJIBIV-ZIAGYGMSSA-N 2 0 269.433 1.562 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H](C)N(C)C(=O)CC[NH+](C)C ZINC001271092796 905639031 /nfs/dbraw/zinc/63/90/31/905639031.db2.gz LOTNRRKFZNWCTM-OLZOCXBDSA-N 2 0 257.422 1.421 10 0 CDAERP CC(C)[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CCCF ZINC001482570480 907258304 /nfs/dbraw/zinc/25/83/04/907258304.db2.gz LJRHGAMWYLJEMG-CYBMUJFWSA-N 2 0 273.396 1.172 10 0 CDAERP CC[NH2+]CC[C@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001482875598 908452692 /nfs/dbraw/zinc/45/26/92/908452692.db2.gz WFPPGFDAXYTNQE-AWEZNQCLSA-N 2 0 291.439 1.909 10 0 CDAERP CCN(CC[NH2+]CC(C)C)C(=O)C[N@H+](C)C(C)C ZINC001482969806 908554826 /nfs/dbraw/zinc/55/48/26/908554826.db2.gz KYFIITCTKAGWRW-UHFFFAOYSA-N 2 0 257.422 1.421 10 0 CDAERP CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001483017760 908694835 /nfs/dbraw/zinc/69/48/35/908694835.db2.gz MFOZZRZZDUVCEP-NFAHFFEMSA-N 2 0 279.428 1.675 10 0 CDAERP C[NH+]1CCC(C[NH2+]C[C@H]2CC3(CO2)CCOCC3)CC1 ZINC000712663766 909572870 /nfs/dbraw/zinc/57/28/70/909572870.db2.gz GKDLREUAUYLDPI-OAHLLOKOSA-N 2 0 282.428 1.504 10 0 CDAERP CCC(C)(C)NC(=O)C[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714485704 909744784 /nfs/dbraw/zinc/74/47/84/909744784.db2.gz KKNLCHQKXPKRAM-UHFFFAOYSA-N 2 0 283.460 1.988 10 0 CDAERP CC(C)[C@H](C(=O)N(C)CC[N@H+](C)C(C)C)[NH+]1CCCC1 ZINC001496844569 909905795 /nfs/dbraw/zinc/90/57/95/909905795.db2.gz JKWVQHAWUYNAHO-OAHLLOKOSA-N 2 0 283.460 1.905 10 0 CDAERP CC[NH2+][C@H](CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001409752591 910686105 /nfs/dbraw/zinc/68/61/05/910686105.db2.gz FFXKHOZVVBGMSV-JKSUJKDBSA-N 2 0 295.471 1.811 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001483296742 910810850 /nfs/dbraw/zinc/81/08/50/910810850.db2.gz QRQSJUYMNPKJSJ-HNNXBMFYSA-N 2 0 281.444 1.923 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000921427069 914923980 /nfs/dbraw/zinc/92/39/80/914923980.db2.gz WACWWUHGOCPICR-RBSFLKMASA-N 2 0 296.459 1.356 10 0 CDAERP CC[C@@H](C)C[NH+]1CC(N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001483892196 915183613 /nfs/dbraw/zinc/18/36/13/915183613.db2.gz DNBAUKCNGRKMIK-CYBMUJFWSA-N 2 0 269.433 1.515 10 0 CDAERP CCCCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001484054950 915369579 /nfs/dbraw/zinc/36/95/79/915369579.db2.gz URONVNVPVOTCSD-ZBFHGGJFSA-N 2 0 281.444 1.851 10 0 CDAERP CCC[NH2+]C[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001484619961 915957124 /nfs/dbraw/zinc/95/71/24/915957124.db2.gz DHVOUJFUACQFNW-CQSZACIVSA-N 2 0 279.428 1.463 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]C/C=C\Cl)CCC1 ZINC001484663473 916011648 /nfs/dbraw/zinc/01/16/48/916011648.db2.gz VLDPUKQTNLXZFI-YVMONPNESA-N 2 0 287.835 1.708 10 0 CDAERP CC1([NH2+]CCCF)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001484926444 916274092 /nfs/dbraw/zinc/27/40/92/916274092.db2.gz CNHIEAIEDKXXKA-UHFFFAOYSA-N 2 0 297.418 1.413 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCOC)CC1(C)C ZINC001485579570 917106816 /nfs/dbraw/zinc/10/68/16/917106816.db2.gz PXGUHEXWULSXFF-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCC[NH2+]CCF)CC[N@@H+]1C ZINC001485723026 917216311 /nfs/dbraw/zinc/21/63/11/917216311.db2.gz VMDDARRDSAROCR-HZSPNIEDSA-N 2 0 287.423 1.561 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]C(C)C ZINC001485884125 920542998 /nfs/dbraw/zinc/54/29/98/920542998.db2.gz ZUCFHTLESBVHBS-KGLIPLIRSA-N 2 0 269.433 1.706 10 0 CDAERP C[C@H](CN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH2+]CCO ZINC001485892025 920551811 /nfs/dbraw/zinc/55/18/11/920551811.db2.gz BAVOPMZQTMBIJW-CYBMUJFWSA-N 2 0 299.459 1.068 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CCF ZINC001485892935 920553646 /nfs/dbraw/zinc/55/36/46/920553646.db2.gz HSKPRLAFXKAODS-UONOGXRCSA-N 2 0 287.423 1.513 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccns1 ZINC001485956159 920596033 /nfs/dbraw/zinc/59/60/33/920596033.db2.gz UKPJTHIJAXNWKG-RYUDHWBXSA-N 2 0 296.440 1.031 10 0 CDAERP CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]CCCF ZINC001486247665 920839146 /nfs/dbraw/zinc/83/91/46/920839146.db2.gz JQCGFZVQFUFTAQ-ZDUSSCGKSA-N 2 0 297.418 1.268 10 0 CDAERP CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001486341485 920916150 /nfs/dbraw/zinc/91/61/50/920916150.db2.gz RHMBNTXPYKQLMH-LSDHHAIUSA-N 2 0 299.459 1.022 10 0 CDAERP CC[N@H+](C)CCN(C(=O)[C@@H]1CCCC[NH+]1C)C(C)C ZINC001486374480 920955327 /nfs/dbraw/zinc/95/53/27/920955327.db2.gz ZHQDFBPOFHGLIL-AWEZNQCLSA-N 2 0 269.433 1.659 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)C1CC([NH2+]C/C=C/Cl)C1 ZINC001486483838 921060369 /nfs/dbraw/zinc/06/03/69/921060369.db2.gz RTLKSCSMYLXLLP-AATRIKPKSA-N 2 0 287.835 1.658 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC2CCC(C)([NH+]3CCC3)CC2)C1 ZINC001413746529 936723136 /nfs/dbraw/zinc/72/31/36/936723136.db2.gz LLPRQHALLAZSOB-UQPPLGOBSA-N 2 0 293.455 1.851 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCCF)C1)[NH+]1CCCC1 ZINC001491083835 936852553 /nfs/dbraw/zinc/85/25/53/936852553.db2.gz WUZYIYKAZJSKJC-QLFBSQMISA-N 2 0 299.434 1.703 10 0 CDAERP CC(C)OCC[C@@H](O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000923364970 923777810 /nfs/dbraw/zinc/77/78/10/923777810.db2.gz BGXFVJHUYPAVPG-HUUCEWRRSA-N 2 0 270.417 1.238 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CCF)C1 ZINC001491189292 936871186 /nfs/dbraw/zinc/87/11/86/936871186.db2.gz ASWXQYXTLYKHPJ-LSDHHAIUSA-N 2 0 299.434 1.659 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CCF)C1 ZINC001491189284 936871708 /nfs/dbraw/zinc/87/17/08/936871708.db2.gz ASWXQYXTLYKHPJ-CABCVRRESA-N 2 0 299.434 1.659 10 0 CDAERP C[C@H]1C[N@H+](CC(=O)N(C)c2ccccc2)CC[C@H]1C[NH3+] ZINC000923510658 923889900 /nfs/dbraw/zinc/88/99/00/923889900.db2.gz WFHYPLNWSURYPX-KBPBESRZSA-N 2 0 275.396 1.566 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001491456660 936919860 /nfs/dbraw/zinc/91/98/60/936919860.db2.gz JEEVBMGMIHVDKW-YNEHKIRRSA-N 2 0 255.406 1.077 10 0 CDAERP CC[NH2+]CC[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001273205011 924923322 /nfs/dbraw/zinc/92/33/22/924923322.db2.gz RBWUDRYJVFSEHT-ZDUSSCGKSA-N 2 0 277.412 1.866 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001488790176 926717084 /nfs/dbraw/zinc/71/70/84/926717084.db2.gz RFJYAUSJWHAPBB-HZSPNIEDSA-N 2 0 269.433 1.611 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](CCCF)C1CC1 ZINC001490377164 927140420 /nfs/dbraw/zinc/14/04/20/927140420.db2.gz IUORICBNKMVMKV-HNNXBMFYSA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)N(CC[N@H+](C)CC1CC1)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001411186077 927186236 /nfs/dbraw/zinc/18/62/36/927186236.db2.gz GWIJNTXXUIGCQM-GDBMZVCRSA-N 2 0 295.471 1.905 10 0 CDAERP CC(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001490599684 927248955 /nfs/dbraw/zinc/24/89/55/927248955.db2.gz SZXLOUHHNSNADC-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[NH+]1CCC(N(C)C(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852857037 927899573 /nfs/dbraw/zinc/89/95/73/927899573.db2.gz IWOXYCGFKHNUPG-UHFFFAOYSA-N 2 0 279.428 1.627 10 0 CDAERP CC[N@H+](CCNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)C(C)C ZINC000861570430 929307876 /nfs/dbraw/zinc/30/78/76/929307876.db2.gz QGOQIODBQAXPDD-IYBDPMFKSA-N 2 0 296.459 1.358 10 0 CDAERP CCOCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001318414040 930373916 /nfs/dbraw/zinc/37/39/16/930373916.db2.gz RMDBQGPJZXXOOS-CABCVRRESA-N 2 0 297.443 1.040 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H](C)[C@H](O)c1ccccc1 ZINC000817931431 930648972 /nfs/dbraw/zinc/64/89/72/930648972.db2.gz JOYUAHGPQTZETP-SNPRPXQTSA-N 2 0 266.385 1.452 10 0 CDAERP C[C@H](C[NH2+]CC1CCC1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001274918955 931610219 /nfs/dbraw/zinc/61/02/19/931610219.db2.gz HBCVQUSXKXKRLX-CHWSQXEVSA-N 2 0 267.417 1.223 10 0 CDAERP O=C1OCCN1CCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000690439779 931857145 /nfs/dbraw/zinc/85/71/45/931857145.db2.gz LIWMHJVPUOKKAX-OLZOCXBDSA-N 2 0 267.373 1.045 10 0 CDAERP CC(C)COCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001275721141 931978076 /nfs/dbraw/zinc/97/80/76/931978076.db2.gz RMXWIBFJWWNUMU-LSDHHAIUSA-N 2 0 299.459 1.047 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)CC1CC1 ZINC001276013376 932236605 /nfs/dbraw/zinc/23/66/05/932236605.db2.gz XGQXSJFFRFQNFK-GFCCVEGCSA-N 2 0 255.406 1.173 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)NC2CC[NH+](C)CC2)CC1 ZINC001412377317 932398236 /nfs/dbraw/zinc/39/82/36/932398236.db2.gz ZGHJMBYZTJTVAO-UHFFFAOYSA-N 2 0 281.444 1.565 10 0 CDAERP C[NH2+]CCCCC(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000719746007 932468894 /nfs/dbraw/zinc/46/88/94/932468894.db2.gz WRZUKLFIOJEINT-CYBMUJFWSA-N 2 0 257.422 1.469 10 0 CDAERP C[N@@H+]1CCC[C@]2(CC[NH+](CC3CCC(O)CC3)C2)C1 ZINC001118500573 937634224 /nfs/dbraw/zinc/63/42/24/937634224.db2.gz JCZCRDRRENKQRN-GPANFISMSA-N 2 0 266.429 1.955 10 0 CDAERP C(COC[C@@H]1CCCO1)[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000925070370 932848847 /nfs/dbraw/zinc/84/88/47/932848847.db2.gz FDKOGVXKBKHQHQ-JYJNAYRXSA-N 2 0 282.428 1.789 10 0 CDAERP CC1(C)C[C@@H]([NH2+][C@@H](CCO)C2CCOCC2)C[C@@H]([NH3+])C1 ZINC000925639103 932918554 /nfs/dbraw/zinc/91/85/54/932918554.db2.gz JEJVINPYUPWPFN-ILXRZTDVSA-N 2 0 284.444 1.660 10 0 CDAERP CCO[C@@H]1COCC[C@@H]1[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925648173 932921164 /nfs/dbraw/zinc/92/11/64/932921164.db2.gz PTFHHYJOWAOFLP-XDQVBPFNSA-N 2 0 270.417 1.676 10 0 CDAERP C1=C(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC[NH2+]C1 ZINC000925699673 932928658 /nfs/dbraw/zinc/92/86/58/932928658.db2.gz PJHYMEONDLXNJB-CVEARBPZSA-N 3 0 263.429 1.664 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925702021 932929291 /nfs/dbraw/zinc/92/92/91/932929291.db2.gz JKVNYGHDOYRMLF-IGQOVBAYSA-N 3 0 253.434 1.822 10 0 CDAERP O=C1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CN1CC1CC1 ZINC000925771791 932937459 /nfs/dbraw/zinc/93/74/59/932937459.db2.gz OLBXRDQALABWPA-YHUYYLMFSA-N 2 0 291.439 1.508 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC000925772440 932938052 /nfs/dbraw/zinc/93/80/52/932938052.db2.gz HXBDYMGBTWCZBX-STQMWFEESA-N 2 0 256.390 1.289 10 0 CDAERP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925839785 932944434 /nfs/dbraw/zinc/94/44/34/932944434.db2.gz FDESMEBMANLKJV-CVEARBPZSA-N 3 0 282.476 1.169 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCc1cccc2c1OCCO2 ZINC000925873544 932948475 /nfs/dbraw/zinc/94/84/75/932948475.db2.gz BGERECUYSZVIGG-ZIAGYGMSSA-N 2 0 276.380 1.717 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H](CCO)Cc1ccccc1 ZINC000926356951 932983131 /nfs/dbraw/zinc/98/31/31/932983131.db2.gz FIBQUBJBNDIJGG-SOABOVLPSA-N 2 0 288.435 1.910 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCO[C@@H]2CCOC2)C[C@@H]1C ZINC000929779102 933268590 /nfs/dbraw/zinc/26/85/90/933268590.db2.gz DHPKCIYXFLNIAY-SOUVJXGZSA-N 2 0 270.417 1.597 10 0 CDAERP c1c(C[NH2+][C@]23C[C@H]2COC3)sc2c1C[NH2+]CC2 ZINC000718105025 934764619 /nfs/dbraw/zinc/76/46/19/934764619.db2.gz BDYOSRTXWGBART-GWCFXTLKSA-N 2 0 250.367 1.272 10 0 CDAERP COCC(C)(C)C[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720858008 935258197 /nfs/dbraw/zinc/25/81/97/935258197.db2.gz QUDJZHIACVLWGU-ZJUUUORDSA-N 2 0 268.323 1.728 10 0 CDAERP C[C@H](CC[NH2+]CCCO)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001568685208 1169430933 /nfs/dbraw/zinc/43/09/33/1169430933.db2.gz SCKRYLXAEIXBTQ-CABCVRRESA-N 2 0 299.459 1.118 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)CC[NH+](C)C)[C@@H](C)C1 ZINC001362009322 970769992 /nfs/dbraw/zinc/76/99/92/970769992.db2.gz APPVLONAXAMBHJ-KKUMJFAQSA-N 2 0 283.460 1.763 10 0 CDAERP C[C@@H]1CCC[N@H+](C[C@@H](O)C(F)(F)F)[C@H]1CC[NH3+] ZINC000404275686 940960539 /nfs/dbraw/zinc/96/05/39/940960539.db2.gz AOACKAXVRFBJED-KXUCPTDWSA-N 2 0 254.296 1.359 10 0 CDAERP CC[C@H](C)NC(=O)CC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405330400 940982264 /nfs/dbraw/zinc/98/22/64/940982264.db2.gz ZICPIEAKWBBYNH-QJPTWQEYSA-N 2 0 253.390 1.151 10 0 CDAERP [NH3+][C@H]1C[C@@H](NCCC[NH+]2CCCCC2)C12CCC2 ZINC000405354786 940985171 /nfs/dbraw/zinc/98/51/71/940985171.db2.gz QICWZNNMPBZXRV-UONOGXRCSA-N 2 0 251.418 1.722 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC001362086127 970868631 /nfs/dbraw/zinc/86/86/31/970868631.db2.gz AUXABHDSXRHHDB-UHFFFAOYSA-N 2 0 293.411 1.945 10 0 CDAERP O=C(CC[N@H+]1CC[C@@H](F)C1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC001362092188 970875245 /nfs/dbraw/zinc/87/52/45/970875245.db2.gz QBOIROAHSOLBOP-HUUCEWRRSA-N 2 0 297.418 1.507 10 0 CDAERP CCC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001277217834 942186651 /nfs/dbraw/zinc/18/66/51/942186651.db2.gz NCIUVWCPTJXVIO-ZIAGYGMSSA-N 2 0 269.433 1.755 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001277259790 942253952 /nfs/dbraw/zinc/25/39/52/942253952.db2.gz QUXLGYYREOXWFS-UHFFFAOYSA-N 2 0 255.406 1.365 10 0 CDAERP CO[C@@H]1CC[C@H]([NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC001332420944 942409108 /nfs/dbraw/zinc/40/91/08/942409108.db2.gz NTZFYQXYIZFLRA-ZSLBOAEBSA-N 2 0 252.402 1.920 10 0 CDAERP CCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001263820937 943988639 /nfs/dbraw/zinc/98/86/39/943988639.db2.gz JVTUYARRFWTBCF-HNNXBMFYSA-N 2 0 281.444 1.805 10 0 CDAERP CC[NH+](CC)CC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001264012127 944063465 /nfs/dbraw/zinc/06/34/65/944063465.db2.gz HACJWKSVXUWZIC-ZDUSSCGKSA-N 2 0 269.433 1.565 10 0 CDAERP COCC[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001264686120 944163317 /nfs/dbraw/zinc/16/33/17/944163317.db2.gz ZYCWFZZGSBZMJN-OAHLLOKOSA-N 2 0 299.459 1.334 10 0 CDAERP C[N@H+](CCCNC(=O)C[NH+]1CCCC1)CCC1CC1 ZINC001265068353 944219081 /nfs/dbraw/zinc/21/90/81/944219081.db2.gz HJFNRBSMUFCCRI-UHFFFAOYSA-N 2 0 267.417 1.320 10 0 CDAERP CCCC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001265224376 944284957 /nfs/dbraw/zinc/28/49/57/944284957.db2.gz BUSBMZZBFLCOPU-ZDUSSCGKSA-N 2 0 255.406 1.319 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC1=CCCCC1 ZINC001265758321 944493419 /nfs/dbraw/zinc/49/34/19/944493419.db2.gz ATJFDKAZOHMEDL-UKRRQHHQSA-N 2 0 279.428 1.675 10 0 CDAERP CC(C)OCC[NH2+][C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001265794619 944510915 /nfs/dbraw/zinc/51/09/15/944510915.db2.gz SPDAHLSBGUEZRX-AWEZNQCLSA-N 2 0 297.443 1.134 10 0 CDAERP CC(C)CC[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001265814964 944520054 /nfs/dbraw/zinc/52/00/54/944520054.db2.gz KKPUGNYITKCYJV-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC1CCC1 ZINC001265824567 944525769 /nfs/dbraw/zinc/52/57/69/944525769.db2.gz YXAYDHFEKUDSPY-CHWSQXEVSA-N 2 0 267.417 1.223 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CCC[C@H]([N@H+](C)CCCO)C1 ZINC001266116139 944690437 /nfs/dbraw/zinc/69/04/37/944690437.db2.gz GGOAHFHRUNVYQO-HNNXBMFYSA-N 2 0 299.459 1.024 10 0 CDAERP CCCN(CCC[NH+](C)C)C(=O)[C@@H](C)CC[NH+](C)C ZINC001362508047 971353763 /nfs/dbraw/zinc/35/37/63/971353763.db2.gz YFANGKBAIUQXFX-AWEZNQCLSA-N 2 0 271.449 1.765 10 0 CDAERP CCN1CC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001362527156 971371898 /nfs/dbraw/zinc/37/18/98/971371898.db2.gz FIIJBMLXTLTOSI-GJZGRUSLSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H](O)C[N@H+](C)CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001479800604 971426300 /nfs/dbraw/zinc/42/63/00/971426300.db2.gz PTWMFLYUNBFXFR-HUUCEWRRSA-N 2 0 299.459 1.070 10 0 CDAERP C[C@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001568992091 1169582738 /nfs/dbraw/zinc/58/27/38/1169582738.db2.gz SNPCDBIOMQLMNK-UKRRQHHQSA-N 2 0 295.471 1.859 10 0 CDAERP COCC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)C1CC1 ZINC001479873505 971464202 /nfs/dbraw/zinc/46/42/02/971464202.db2.gz HUJQXUVMENSOQI-HNNXBMFYSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](NC(=O)CC[NH+]2CC[C@H](F)C2)C1 ZINC001362625270 971470252 /nfs/dbraw/zinc/47/02/52/971470252.db2.gz FTQSHSGMHHHPHI-KBPBESRZSA-N 2 0 285.407 1.409 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1C[C@H]([NH2+]C[C@@H](F)CC)C1)[NH+](C)C ZINC001480211059 971630180 /nfs/dbraw/zinc/63/01/80/971630180.db2.gz NFDKGLVYGNHCLM-WUHRBBMRSA-N 2 0 273.396 1.312 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH+](C)C)C1(C)C)[NH+](CC)CC ZINC001362825468 971647260 /nfs/dbraw/zinc/64/72/60/971647260.db2.gz HANUTXSAULHQPF-HZSPNIEDSA-N 2 0 283.460 1.952 10 0 CDAERP C[NH+](C)CCCC(=O)N1CCC[C@H](C[NH2+]CCCF)C1 ZINC001480293892 971661895 /nfs/dbraw/zinc/66/18/95/971661895.db2.gz VUEQNGNGJTXMNM-CQSZACIVSA-N 2 0 287.423 1.516 10 0 CDAERP COCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001480350828 971683158 /nfs/dbraw/zinc/68/31/58/971683158.db2.gz CQQNPCRQLDIWQI-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@H](C)C[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001480359472 971686748 /nfs/dbraw/zinc/68/67/48/971686748.db2.gz CYYSGJLDYWNANE-HRCADAONSA-N 2 0 295.471 1.907 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC001362943655 971749563 /nfs/dbraw/zinc/74/95/63/971749563.db2.gz LWXPFYVKFYZHAT-KBPBESRZSA-N 2 0 281.444 1.517 10 0 CDAERP CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)C(C)(C)C1 ZINC001363651216 953605766 /nfs/dbraw/zinc/60/57/66/953605766.db2.gz JYGIUAYTYITECG-ILXRZTDVSA-N 2 0 293.455 1.850 10 0 CDAERP CC[C@H](F)C[N@@H+]1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001493131157 971957186 /nfs/dbraw/zinc/95/71/86/971957186.db2.gz YMDFUYSQYSOUAM-UONOGXRCSA-N 2 0 299.434 1.657 10 0 CDAERP CCCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001493161966 971961079 /nfs/dbraw/zinc/96/10/79/971961079.db2.gz XDZKQEWFCZEDBB-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP C[NH2+][C@H](C)CCNC(=O)C[C@@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC001326001905 954177227 /nfs/dbraw/zinc/17/72/27/954177227.db2.gz RYPLVJYAXNBVAN-BXKDBHETSA-N 2 0 298.818 1.548 10 0 CDAERP [NH3+]CC1(CCNC(=O)[C@@H]([NH3+])C2CCCCC2)CC1 ZINC001326635033 954466899 /nfs/dbraw/zinc/46/68/99/954466899.db2.gz WZELNSFPNGPXQE-LBPRGKRZSA-N 2 0 253.390 1.139 10 0 CDAERP C[C@@H](F)CC[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CCC1 ZINC001421765862 955533858 /nfs/dbraw/zinc/53/38/58/955533858.db2.gz KLIVFFBVOYNQBY-ZIAGYGMSSA-N 2 0 299.434 1.705 10 0 CDAERP CC1CC[NH+](CC(=O)N(C)CC[NH2+]CC2CCC2)CC1 ZINC001493741736 972108403 /nfs/dbraw/zinc/10/84/03/972108403.db2.gz IQLPSYSWAWFQTF-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP C[C@@H]([NH2+]CCCO)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001329032341 955639720 /nfs/dbraw/zinc/63/97/20/955639720.db2.gz FCTRMRLUNLNVDV-KGLIPLIRSA-N 2 0 299.459 1.116 10 0 CDAERP CCC[NH2+][C@@H](C)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001329076591 955669639 /nfs/dbraw/zinc/66/96/39/955669639.db2.gz SGLRYCMTHLGDHO-STQMWFEESA-N 2 0 267.417 1.508 10 0 CDAERP CC[C@@H](C)C[NH2+]CCN(C)C(=O)C[N@H+](C)C(C)C ZINC001493805895 972116966 /nfs/dbraw/zinc/11/69/66/972116966.db2.gz ALOHQHBBBICBHC-CYBMUJFWSA-N 2 0 257.422 1.421 10 0 CDAERP C[NH+](C)CCN1CC[N@H+](CC2CCCCCC2)CC1=O ZINC001422009809 955698842 /nfs/dbraw/zinc/69/88/42/955698842.db2.gz VXKAVMSMXMVQII-UHFFFAOYSA-N 2 0 281.444 1.663 10 0 CDAERP CC/C=C\CC[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001492215082 955714057 /nfs/dbraw/zinc/71/40/57/955714057.db2.gz LQGKBKVVUWTVBF-GEXIGZQTSA-N 2 0 267.417 1.485 10 0 CDAERP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[C@@H]3CCCC[NH+]3C)[C@H]2C1 ZINC001365223481 955745744 /nfs/dbraw/zinc/74/57/44/955745744.db2.gz YJPBFLUQECAHFU-VGWMRTNUSA-N 2 0 293.455 1.707 10 0 CDAERP C[C@H]([NH2+]CCCF)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001493837525 972123943 /nfs/dbraw/zinc/12/39/43/972123943.db2.gz VCOZYLOBSJAZGG-ZDUSSCGKSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)=CC[N@H+](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001492299627 955821712 /nfs/dbraw/zinc/82/17/12/955821712.db2.gz YWSYHBNDGUQARE-UHFFFAOYSA-N 2 0 293.455 1.877 10 0 CDAERP CC(C)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001422236449 955875003 /nfs/dbraw/zinc/87/50/03/955875003.db2.gz WZKTYSMOYRJLCD-BZUAXINKSA-N 2 0 295.471 1.905 10 0 CDAERP CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001329442197 955920361 /nfs/dbraw/zinc/92/03/61/955920361.db2.gz RAXXIVPMQFGPRI-OLZOCXBDSA-N 2 0 255.406 1.316 10 0 CDAERP CC[C@H](F)C[N@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001329533568 955972313 /nfs/dbraw/zinc/97/23/13/955972313.db2.gz XFUYGVLCNWPWFC-NEPJUHHUSA-N 2 0 261.385 1.123 10 0 CDAERP C[C@@H]([NH2+]CCF)[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001422448081 956012280 /nfs/dbraw/zinc/01/22/80/956012280.db2.gz MBBFPBPEDCXJGP-OLZOCXBDSA-N 2 0 295.402 1.814 10 0 CDAERP CC[N@H+](C)[C@H]1CCN(C(=O)NC[C@@H]2CCCC[NH+]2C)C1 ZINC001365442386 956039601 /nfs/dbraw/zinc/03/96/01/956039601.db2.gz AUCUNBIXDIEYCT-KBPBESRZSA-N 2 0 282.432 1.206 10 0 CDAERP CC[N@H+](C)[C@H]1CCN(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)C1 ZINC001365444640 956041185 /nfs/dbraw/zinc/04/11/85/956041185.db2.gz JVSPDRSJNRSNLN-GJZGRUSLSA-N 2 0 298.475 1.698 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccccc1C)[NH+](C)C ZINC001422657379 956235491 /nfs/dbraw/zinc/23/54/91/956235491.db2.gz AVXIHBPTJIIERO-GOEBONIOSA-N 2 0 291.439 1.930 10 0 CDAERP CC(C)=CC[NH+]1CC([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001330046906 956249706 /nfs/dbraw/zinc/24/97/06/956249706.db2.gz JKYRGRSNKDWKAC-CYBMUJFWSA-N 2 0 267.417 1.341 10 0 CDAERP CC(C)[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCCCC1 ZINC001422681226 956251127 /nfs/dbraw/zinc/25/11/27/956251127.db2.gz QEROIAJCPHDZDT-CQSZACIVSA-N 2 0 281.444 1.755 10 0 CDAERP CCC[N@@H+]1CC[C@@H](NC(=O)N2CC[C@H]([NH+](C)CC)C2)C1 ZINC001365655548 956270028 /nfs/dbraw/zinc/27/00/28/956270028.db2.gz RGEPDNYDWAWFQH-KGLIPLIRSA-N 2 0 282.432 1.206 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001365801210 956373567 /nfs/dbraw/zinc/37/35/67/956373567.db2.gz HJNXAAHMCMOVDH-HOTGVXAUSA-N 2 0 295.471 1.907 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001422917104 956448523 /nfs/dbraw/zinc/44/85/23/956448523.db2.gz JUAGOEXPWJSOKQ-MGPQQGTHSA-N 2 0 287.423 1.559 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]([NH2+]C/C=C\Cl)C2CC2)C1 ZINC001366055743 956534892 /nfs/dbraw/zinc/53/48/92/956534892.db2.gz MTNBPTKZZONNAB-RIDZFXPKSA-N 2 0 299.846 1.565 10 0 CDAERP CC(C)C[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001494179032 972194834 /nfs/dbraw/zinc/19/48/34/972194834.db2.gz OYNHHHJDWIJCKW-HNNXBMFYSA-N 2 0 283.460 1.763 10 0 CDAERP CC(C)C[NH2+]C1(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001423313547 956717667 /nfs/dbraw/zinc/71/76/67/956717667.db2.gz LRCLTMAPEGVFIX-HNNXBMFYSA-N 2 0 279.428 1.367 10 0 CDAERP CO[C@@H](C)C[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001366438211 956827322 /nfs/dbraw/zinc/82/73/22/956827322.db2.gz XLNMRHQMOGSUTQ-LSDHHAIUSA-N 2 0 297.443 1.040 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)C1CC[NH+](CC2CC2)CC1 ZINC001423666788 956929458 /nfs/dbraw/zinc/92/94/58/956929458.db2.gz RPLBCDQRIAGSDX-AWEZNQCLSA-N 2 0 295.471 1.955 10 0 CDAERP CN(CCF)CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001366585816 956994475 /nfs/dbraw/zinc/99/44/75/956994475.db2.gz RBKVUYZMAFJFBC-CHWSQXEVSA-N 2 0 273.396 1.124 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001331455317 957072941 /nfs/dbraw/zinc/07/29/41/957072941.db2.gz MJSOQHHTZARGLX-BFHYXJOUSA-N 2 0 269.433 1.419 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001317162306 957314020 /nfs/dbraw/zinc/31/40/20/957314020.db2.gz NQWGYZJGWFITIB-HNNXBMFYSA-N 2 0 293.455 1.711 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001317191948 957333261 /nfs/dbraw/zinc/33/32/61/957333261.db2.gz LDWWHDOAPNAKJS-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CCCCCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001317228207 957356526 /nfs/dbraw/zinc/35/65/26/957356526.db2.gz GRMJARAPPBMAEC-UONOGXRCSA-N 2 0 269.433 1.755 10 0 CDAERP C[C@@H]1COCCN1CC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC001332419257 957555466 /nfs/dbraw/zinc/55/54/66/957555466.db2.gz BRGWZBJPCOOZOJ-HZSPNIEDSA-N 2 0 269.433 1.203 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+]Cc1ccccc1 ZINC001367282919 957906177 /nfs/dbraw/zinc/90/61/77/957906177.db2.gz CRBIEPLMLMWTJN-HNNXBMFYSA-N 2 0 291.439 1.869 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001318363627 958058753 /nfs/dbraw/zinc/05/87/53/958058753.db2.gz RMCBFDJRRXVVLX-IDTUSYRASA-N 2 0 281.444 1.875 10 0 CDAERP COCC[N@@H+]1CC[C@H](N(C)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001494830176 972320116 /nfs/dbraw/zinc/32/01/16/972320116.db2.gz NYWGTRSHDNFVTK-CABCVRRESA-N 2 0 297.443 1.040 10 0 CDAERP CC(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001367893809 958461447 /nfs/dbraw/zinc/46/14/47/958461447.db2.gz FLJSCZMCPRKMIC-HOTGVXAUSA-N 2 0 295.471 2.000 10 0 CDAERP C[C@H](C[NH2+]C/C=C/Cl)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001319558949 958631262 /nfs/dbraw/zinc/63/12/62/958631262.db2.gz CBGQQJLBNLWZBL-MJRJWQSSSA-N 2 0 285.819 1.271 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001368163961 958679158 /nfs/dbraw/zinc/67/91/58/958679158.db2.gz UCNPMODGYGGSIQ-UKRRQHHQSA-N 2 0 287.423 1.657 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC1CC1 ZINC001368396770 958816654 /nfs/dbraw/zinc/81/66/54/958816654.db2.gz NDVIXPVLPXKMAW-HOTGVXAUSA-N 2 0 293.455 1.804 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001368481173 958889297 /nfs/dbraw/zinc/88/92/97/958889297.db2.gz YMSSHIJRNFIPLJ-MCIONIFRSA-N 2 0 299.434 1.703 10 0 CDAERP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1c(C)noc1C ZINC001495049901 972389709 /nfs/dbraw/zinc/38/97/09/972389709.db2.gz MCVSBDBYGGUUBZ-CYBMUJFWSA-N 2 0 296.415 1.228 10 0 CDAERP CC(C)CC[NH2+][C@H](C)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001368881339 959225174 /nfs/dbraw/zinc/22/51/74/959225174.db2.gz GTLYCGXBTRHZFC-KGLIPLIRSA-N 2 0 283.460 1.857 10 0 CDAERP CC(C)CC[NH2+]CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001320547257 959233106 /nfs/dbraw/zinc/23/31/06/959233106.db2.gz DEPHSHDKXIDJPO-CABCVRRESA-N 2 0 283.460 1.859 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CCF ZINC001371205392 972417951 /nfs/dbraw/zinc/41/79/51/972417951.db2.gz SSCIBBALFRAKJR-OCCSQVGLSA-N 2 0 285.407 1.457 10 0 CDAERP C(C[NH2+][C@H]1CCO[C@]12CCOC2)C[NH+]1CCCC1 ZINC001334731297 959312797 /nfs/dbraw/zinc/31/27/97/959312797.db2.gz KNYVIKDCIGPFMG-KBPBESRZSA-N 2 0 254.374 1.010 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCC(F)(F)F ZINC001371237422 972427660 /nfs/dbraw/zinc/42/76/60/972427660.db2.gz MDMKKDZKTAVZJR-WDEREUQCSA-N 2 0 295.349 1.517 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1[NH+](C(C)C)CC2 ZINC001369405473 959668044 /nfs/dbraw/zinc/66/80/44/959668044.db2.gz COJGVMJACMSGCO-ZBFHGGJFSA-N 2 0 281.444 1.850 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001369412585 959672820 /nfs/dbraw/zinc/67/28/20/959672820.db2.gz NANDXHTZBHYNCE-SQWLQELKSA-N 2 0 299.434 1.799 10 0 CDAERP CCC(CC)C[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001321391761 959764082 /nfs/dbraw/zinc/76/40/82/959764082.db2.gz HSANACWXNWWJLS-XHPSBEMXSA-N 2 0 281.444 1.636 10 0 CDAERP CC(C)[NH2+]C1CC(N(C)C(=O)COC2CC[NH+](C)CC2)C1 ZINC001369578400 959773587 /nfs/dbraw/zinc/77/35/87/959773587.db2.gz JGROLIVMPZPSFB-UHFFFAOYSA-N 2 0 297.443 1.085 10 0 CDAERP C[C@H]1C[C@@H](N(C)C(=O)C[NH2+]C(C)(C)C)CC[N@@H+]1C ZINC001322046885 960066191 /nfs/dbraw/zinc/06/61/91/960066191.db2.gz JQFHPLPJEHQMFP-RYUDHWBXSA-N 2 0 255.406 1.316 10 0 CDAERP CCCC[NH2+]CC[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001495381156 972485078 /nfs/dbraw/zinc/48/50/78/972485078.db2.gz SILIGPLKVWMSHY-HNNXBMFYSA-N 2 0 283.460 1.957 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1CCC[N@H+](CCC2CC2)C1 ZINC001370979859 960248293 /nfs/dbraw/zinc/24/82/93/960248293.db2.gz SIUWJTRWMWVEAI-GDBMZVCRSA-N 2 0 295.471 1.955 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N[C@H](C[NH2+]C/C=C\Cl)C2CC2)C1 ZINC001323092588 960447428 /nfs/dbraw/zinc/44/74/28/960447428.db2.gz APEXWGUWTMETCX-RIDZFXPKSA-N 2 0 299.846 1.565 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC001433625267 960464607 /nfs/dbraw/zinc/46/46/07/960464607.db2.gz IHWOHLWXJWKBPV-OAHLLOKOSA-N 2 0 293.455 1.707 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]CCCC3CCC3)CC2)C1 ZINC001323614507 960865126 /nfs/dbraw/zinc/86/51/26/960865126.db2.gz ZJHZHDJIOYJANV-HNNXBMFYSA-N 2 0 293.455 1.757 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001418664403 960872242 /nfs/dbraw/zinc/87/22/42/960872242.db2.gz XQONXMFHEBXLEK-BYNSBNAKSA-N 2 0 299.434 1.561 10 0 CDAERP c1cc(C[NH2+]CCc2cccnc2)n(-c2cc[nH+]cc2)n1 ZINC001560260480 960910183 /nfs/dbraw/zinc/91/01/83/960910183.db2.gz HMHMTPJJWMJIPV-UHFFFAOYSA-N 2 0 279.347 1.995 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H]1CC[NH+](CCF)C1 ZINC001418893023 961136415 /nfs/dbraw/zinc/13/64/15/961136415.db2.gz FHQISNWBFOFFLT-ZIAGYGMSSA-N 2 0 285.407 1.268 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@H]1CC[NH+](CCF)C1 ZINC001418909529 961153519 /nfs/dbraw/zinc/15/35/19/961153519.db2.gz YOGDALLTXMSBMN-LSDHHAIUSA-N 2 0 299.434 1.659 10 0 CDAERP C[N@H+](CCC1CC1)C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001418941576 961177879 /nfs/dbraw/zinc/17/78/79/961177879.db2.gz IBSNSRJGXBBBSX-MRXNPFEDSA-N 2 0 293.455 1.663 10 0 CDAERP CC(C)CC[NH+]1CC(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001419035845 961289121 /nfs/dbraw/zinc/28/91/21/961289121.db2.gz NLTICBVMZFJLGF-CQSZACIVSA-N 2 0 281.444 1.422 10 0 CDAERP CC[C@H](F)C[NH+]1CCC2(C[C@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001419213560 961507508 /nfs/dbraw/zinc/50/75/08/961507508.db2.gz VDDOBKRSIUFELO-UONOGXRCSA-N 2 0 299.434 1.657 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)[NH2+]CC1CC1 ZINC001419276743 961576789 /nfs/dbraw/zinc/57/67/89/961576789.db2.gz VKMBFHZOLUWZJK-HUUCEWRRSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H]1OCC[C@H]1C[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001434510089 961586197 /nfs/dbraw/zinc/58/61/97/961586197.db2.gz QDNYLABVRSVPBI-CVEARBPZSA-N 2 0 296.455 1.724 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]([NH2+]C/C=C\Cl)C1 ZINC001419408924 961669346 /nfs/dbraw/zinc/66/93/46/961669346.db2.gz ZGZDAQNEPPTIMW-NGPZQOMBSA-N 2 0 299.846 1.850 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001419423638 961684456 /nfs/dbraw/zinc/68/44/56/961684456.db2.gz RFIWLKPNZMCMNF-LSDHHAIUSA-N 2 0 299.434 1.657 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001419426324 961689449 /nfs/dbraw/zinc/68/94/49/961689449.db2.gz KQARSNAXCRQOLO-AAVRWANBSA-N 2 0 285.407 1.313 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001419467851 961739408 /nfs/dbraw/zinc/73/94/08/961739408.db2.gz JKZBGUPPFSCJDR-KGLIPLIRSA-N 2 0 283.460 1.859 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001436365735 962211586 /nfs/dbraw/zinc/21/15/86/962211586.db2.gz NHDCLJYHGBICBV-TUVASFSCSA-N 2 0 281.444 1.469 10 0 CDAERP CCC[NH2+][C@H]1C[C@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001436378144 962224393 /nfs/dbraw/zinc/22/43/93/962224393.db2.gz KKRGLXVNGGHURU-RBSFLKMASA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC1CCC1 ZINC001419939396 962253954 /nfs/dbraw/zinc/25/39/54/962253954.db2.gz WCBBNKABYCOTQK-LSDHHAIUSA-N 2 0 281.444 1.469 10 0 CDAERP CN(CC[N@H+](C)CC1CC1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001419966294 962302217 /nfs/dbraw/zinc/30/22/17/962302217.db2.gz KVUXVHBVZPXZMM-OAHLLOKOSA-N 2 0 279.428 1.128 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)CC[NH+](C)CC1CCCC1 ZINC001420035962 962399060 /nfs/dbraw/zinc/39/90/60/962399060.db2.gz MZJPXPALRGCLDQ-UHFFFAOYSA-N 2 0 283.460 1.909 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]([NH2+]CC2CCC2)C2CC2)C1 ZINC001436805615 962430452 /nfs/dbraw/zinc/43/04/52/962430452.db2.gz IDYXPJBACZKRSZ-BBRMVZONSA-N 2 0 293.455 1.613 10 0 CDAERP CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CC[C@H](C)F)C1)[NH+](C)C ZINC001436870930 962469280 /nfs/dbraw/zinc/46/92/80/962469280.db2.gz QLJCTKGXOQETSK-IHRRRGAJSA-N 2 0 287.423 1.511 10 0 CDAERP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccccn1 ZINC001420156773 962511102 /nfs/dbraw/zinc/51/11/02/962511102.db2.gz AKEMLVKLDZDWLM-CQSZACIVSA-N 2 0 290.411 1.162 10 0 CDAERP CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCC[NH+](C)C)C1 ZINC001436945762 962518138 /nfs/dbraw/zinc/51/81/38/962518138.db2.gz QHOQZGYSATYDTH-HUUCEWRRSA-N 2 0 281.444 1.661 10 0 CDAERP O=C(C[NH+]1CCCC1)NCC[C@H]1CC[N@@H+](CCCF)C1 ZINC001437951538 963253679 /nfs/dbraw/zinc/25/36/79/963253679.db2.gz XBSRMYZOYVEUQO-AWEZNQCLSA-N 2 0 285.407 1.270 10 0 CDAERP CC[C@H](C)C[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001437991112 963275177 /nfs/dbraw/zinc/27/51/77/963275177.db2.gz KYCJIPFUMHAJPF-LSDHHAIUSA-N 2 0 283.460 1.765 10 0 CDAERP CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001420885808 963333721 /nfs/dbraw/zinc/33/37/21/963333721.db2.gz IEEVEZAUMDJRGF-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+]2CCCC(C)(C)C)C1 ZINC001420903594 963345178 /nfs/dbraw/zinc/34/51/78/963345178.db2.gz MPZBTMOAWGEVGQ-LSDHHAIUSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[NH2+]C[C@](C)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001438428237 963445589 /nfs/dbraw/zinc/44/55/89/963445589.db2.gz HKRGGVWJQJXTQX-INIZCTEOSA-N 2 0 281.444 1.613 10 0 CDAERP CCOCC[N@@H+]1CC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001569375221 1169826621 /nfs/dbraw/zinc/82/66/21/1169826621.db2.gz UMEVMBXYKDYAGL-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001439931104 963898716 /nfs/dbraw/zinc/89/87/16/963898716.db2.gz CDMNRUGQDORXIL-NVXWUHKLSA-N 2 0 293.455 1.566 10 0 CDAERP C[C@H](O)C[N@H+](C)C[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001440514937 964096736 /nfs/dbraw/zinc/09/67/36/964096736.db2.gz GGXLJJVCAIYZNA-GJZGRUSLSA-N 2 0 299.459 1.022 10 0 CDAERP CC(C)[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001440803979 964189144 /nfs/dbraw/zinc/18/91/44/964189144.db2.gz UGZQJFBFHTXTTF-UONOGXRCSA-N 2 0 299.459 1.236 10 0 CDAERP C[C@H](NC(=O)CC1CC[NH+](C)CC1)[C@H](C)[NH2+]CC1CC1 ZINC001440829373 964201603 /nfs/dbraw/zinc/20/16/03/964201603.db2.gz FJUKJRANRSPVRW-STQMWFEESA-N 2 0 281.444 1.611 10 0 CDAERP Cc1oncc1C[NH2+][C@H](C)[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001440861146 964214228 /nfs/dbraw/zinc/21/42/28/964214228.db2.gz OSZLCJFRSQKILV-NEPJUHHUSA-N 2 0 296.415 1.306 10 0 CDAERP CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C1CC1 ZINC001441209884 964420197 /nfs/dbraw/zinc/42/01/97/964420197.db2.gz UAUFVDWBAUGEKV-LSDHHAIUSA-N 2 0 281.444 1.611 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cncs2)C1 ZINC001441520920 964572226 /nfs/dbraw/zinc/57/22/26/964572226.db2.gz OKCXBOBCJOLRCE-TXEJJXNPSA-N 2 0 296.440 1.222 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001441634266 964626241 /nfs/dbraw/zinc/62/62/41/964626241.db2.gz VXTGINUWZHOOLQ-GJZGRUSLSA-N 2 0 281.444 1.851 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@]12CCC[C@@H]1[N@H+](CC)CC2 ZINC001441876648 964761605 /nfs/dbraw/zinc/76/16/05/964761605.db2.gz RVRIBAYKIHRLBV-DZKIICNBSA-N 2 0 299.434 1.799 10 0 CDAERP CC[NH+]1CCC(CNC(=O)CC[N@@H+]2CC[C@H](F)C2)CC1 ZINC001442121522 964876076 /nfs/dbraw/zinc/87/60/76/964876076.db2.gz ZQEQJTAWBUQJPK-AWEZNQCLSA-N 2 0 285.407 1.268 10 0 CDAERP CC(C)CC[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001442492548 965093056 /nfs/dbraw/zinc/09/30/56/965093056.db2.gz YNXYJLPZDSQFAM-GJZGRUSLSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC001443202546 965392684 /nfs/dbraw/zinc/39/26/84/965392684.db2.gz KTSQXGZJMFYVPG-UONOGXRCSA-N 2 0 269.433 1.517 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+](C(C)C)C1)C(C)C ZINC001443444608 965469807 /nfs/dbraw/zinc/46/98/07/965469807.db2.gz LGYTWYXUZUWXJR-HNNXBMFYSA-N 2 0 283.460 1.953 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CC1 ZINC001443671409 965557704 /nfs/dbraw/zinc/55/77/04/965557704.db2.gz KORJJHJCHGFCFF-KKUMJFAQSA-N 2 0 297.418 1.361 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001444673414 965919925 /nfs/dbraw/zinc/91/99/25/965919925.db2.gz UCFYHCWKIBISRO-CABCVRRESA-N 2 0 283.460 1.907 10 0 CDAERP CC(C)[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccccn1 ZINC001444899465 965995374 /nfs/dbraw/zinc/99/53/74/965995374.db2.gz HUUNIXRQESUVME-OAHLLOKOSA-N 2 0 292.427 1.264 10 0 CDAERP C[C@H](C[N@H+](C)CC1CCC1)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001445859816 966368411 /nfs/dbraw/zinc/36/84/11/966368411.db2.gz YNOHZGSBZBHXIZ-UKRRQHHQSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@H](F)CC[NH2+]C1(CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001446247832 966495264 /nfs/dbraw/zinc/49/52/64/966495264.db2.gz ULLMBLBMNAHCBR-ZDUSSCGKSA-N 2 0 299.434 1.705 10 0 CDAERP C[N@H+](C/C=C\Cl)C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001447767379 966867671 /nfs/dbraw/zinc/86/76/71/966867671.db2.gz IJYZNTHYMCWXOO-BRLPQQTGSA-N 2 0 299.846 1.758 10 0 CDAERP CC[NH2+]CC1CC(NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001447822240 966889584 /nfs/dbraw/zinc/88/95/84/966889584.db2.gz JDLUCPUIYOIAKK-YMAMQOFZSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@H](NC(=O)C12CCC[NH+]1CCC2)[C@H](C)[NH2+]CCF ZINC001447872193 966909221 /nfs/dbraw/zinc/90/92/21/966909221.db2.gz FGKSCQUNFBUVDS-RYUDHWBXSA-N 2 0 271.380 1.067 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001447930455 966929470 /nfs/dbraw/zinc/92/94/70/966929470.db2.gz NAIFSSHUPBSHAA-UONOGXRCSA-N 2 0 281.444 1.611 10 0 CDAERP COCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001569540469 1169916666 /nfs/dbraw/zinc/91/66/66/1169916666.db2.gz AHZQWQDZEXMBDB-LSDHHAIUSA-N 2 0 297.443 1.086 10 0 CDAERP CC(C)[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)C(C)C ZINC001569566487 1169927048 /nfs/dbraw/zinc/92/70/48/1169927048.db2.gz LNLMEHTTWFLYSP-CYBMUJFWSA-N 2 0 255.406 1.316 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NC[C@@H]2C[NH+]3CCC2CC3)CC[N@@H+]1C ZINC001456757354 969041119 /nfs/dbraw/zinc/04/11/19/969041119.db2.gz IIHXSIWGJYGXCX-AEGPPILISA-N 2 0 279.428 1.175 10 0 CDAERP O=C(CC[N@H+]1CC[C@@H](F)C1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC001465296163 969862253 /nfs/dbraw/zinc/86/22/53/969862253.db2.gz GCISCCFYHCGUPH-HUUCEWRRSA-N 2 0 297.418 1.365 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]C/C=C/Cl)C2)CC[N@@H+]1C ZINC001480614747 970079075 /nfs/dbraw/zinc/07/90/75/970079075.db2.gz MPNWCHQSMFUJTG-ASKCACPESA-N 2 0 285.819 1.270 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1 ZINC001468029853 970118708 /nfs/dbraw/zinc/11/87/08/970118708.db2.gz XBPWEBVCAFZGIM-KBXIAJHMSA-N 2 0 279.428 1.125 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)[NH+]1CCCC1 ZINC001472488770 970654263 /nfs/dbraw/zinc/65/42/63/970654263.db2.gz BNPDPIFUKOBIMJ-KFWWJZLASA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H](NC(=O)CC[N@@H+]1CC[C@H](F)C1)C(C)(C)C[NH+](C)C ZINC001361984192 970741289 /nfs/dbraw/zinc/74/12/89/970741289.db2.gz VCHXKJGNQONYCX-OLZOCXBDSA-N 2 0 287.423 1.513 10 0 CDAERP C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)C[NH2+]CCF ZINC001495756097 972624698 /nfs/dbraw/zinc/62/46/98/972624698.db2.gz YYHOEKCDHLJGPR-KGLIPLIRSA-N 2 0 287.423 1.562 10 0 CDAERP CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CCC(F)(F)F)[NH+](C)C ZINC001496154697 972819218 /nfs/dbraw/zinc/81/92/18/972819218.db2.gz PTUSDWYYXPAPMC-QWRGUYRKSA-N 2 0 297.365 1.716 10 0 CDAERP COCC[NH2+]C[C@H](C)N(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001496198604 972837083 /nfs/dbraw/zinc/83/70/83/972837083.db2.gz SKVZTCYDFONNIG-AWEZNQCLSA-N 2 0 299.459 1.190 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CCC1CC1 ZINC001372324820 972916650 /nfs/dbraw/zinc/91/66/50/972916650.db2.gz JRXXHZORDLRQPN-MRXNPFEDSA-N 2 0 293.455 1.566 10 0 CDAERP CC[N@H+](CCCF)CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001372430430 972952798 /nfs/dbraw/zinc/95/27/98/972952798.db2.gz QNZDBPNNTJCIPW-GJZGRUSLSA-N 2 0 299.434 1.801 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001372540131 973008882 /nfs/dbraw/zinc/00/88/82/973008882.db2.gz DHAGFBSLBJMEEK-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@H](CNC(=O)Cn2ccnc2)C1 ZINC001372685758 973082834 /nfs/dbraw/zinc/08/28/34/973082834.db2.gz VONDFNCQUJRCDQ-OAHLLOKOSA-N 2 0 292.427 1.757 10 0 CDAERP CCC[NH2+][C@H](C)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001373007137 973223385 /nfs/dbraw/zinc/22/33/85/973223385.db2.gz LOXSRGBEXAXSLC-HUUCEWRRSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](O)C[NH2+]CC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001497188118 973237274 /nfs/dbraw/zinc/23/72/74/973237274.db2.gz GISWFQQYBJCZDL-ZIAGYGMSSA-N 2 0 299.459 1.116 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CC[NH2+]CC(C)C)CC[N@@H+]1C ZINC001497195346 973241211 /nfs/dbraw/zinc/24/12/11/973241211.db2.gz PRZALZFBLPAJGM-QLFBSQMISA-N 2 0 283.460 1.857 10 0 CDAERP CCN(CC[NH2+]CCC(C)C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001497362307 973304420 /nfs/dbraw/zinc/30/44/20/973304420.db2.gz PJNQNKZTSHSXPM-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)CCC[NH+]1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001373470833 973455398 /nfs/dbraw/zinc/45/53/98/973455398.db2.gz BVTOLKGBYWKUAK-AWEZNQCLSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001417943032 973489934 /nfs/dbraw/zinc/48/99/34/973489934.db2.gz HWBPQOCXMVAUDF-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP COC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001418099210 973584497 /nfs/dbraw/zinc/58/44/97/973584497.db2.gz PYBUKZVITJMZNB-KBXIAJHMSA-N 2 0 297.443 1.131 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC[C@H](C)F)C[C@H]21)[NH+](C)C ZINC001418180062 973626653 /nfs/dbraw/zinc/62/66/53/973626653.db2.gz TZKBYUDMYGEWMD-AHDPXTMNSA-N 2 0 299.434 1.367 10 0 CDAERP CCCCC[NH2+]C[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001498044367 973645079 /nfs/dbraw/zinc/64/50/79/973645079.db2.gz ZAQOKJLYKRHPER-ZFWWWQNUSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001374219507 973842591 /nfs/dbraw/zinc/84/25/91/973842591.db2.gz PFUQKECKXDGQSF-HUUCEWRRSA-N 2 0 283.460 1.952 10 0 CDAERP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CCCO ZINC001498397048 973884468 /nfs/dbraw/zinc/88/44/68/973884468.db2.gz DWRNMFXIFHSBBM-CABCVRRESA-N 2 0 299.459 1.068 10 0 CDAERP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@H+](C)C[C@H]1CCCOC1 ZINC001498455533 973925684 /nfs/dbraw/zinc/92/56/84/973925684.db2.gz JBDPHXOZNUEMPH-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)C(C)C ZINC001418569883 973976224 /nfs/dbraw/zinc/97/62/24/973976224.db2.gz MWHOZVBIXFRHOM-HUUCEWRRSA-N 2 0 281.444 1.850 10 0 CDAERP CC[NH2+]CCCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001498622524 974001624 /nfs/dbraw/zinc/00/16/24/974001624.db2.gz WDNACELXYZVQGZ-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP CC(C)C[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001499261200 974223990 /nfs/dbraw/zinc/22/39/90/974223990.db2.gz ILYOZLDHLVHJPZ-GJZGRUSLSA-N 2 0 293.455 1.898 10 0 CDAERP C[C@H](CN(C)C/C=C/Cl)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001375036445 974235933 /nfs/dbraw/zinc/23/59/33/974235933.db2.gz INVARBWEDDYIJM-CIYRCRHJSA-N 2 0 299.846 1.517 10 0 CDAERP CC(C)C[C@H](C)C[NH+]1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001499792640 974304880 /nfs/dbraw/zinc/30/48/80/974304880.db2.gz QRLGCTRCAQPDTM-GJZGRUSLSA-N 2 0 295.471 1.763 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]C/C=C\Cl ZINC001499955558 974342805 /nfs/dbraw/zinc/34/28/05/974342805.db2.gz UELJXQCMJFNBKB-SCXUMTSISA-N 2 0 287.835 1.660 10 0 CDAERP CC(C)[N@@H+]1CC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001375348522 974345588 /nfs/dbraw/zinc/34/55/88/974345588.db2.gz KNTFHOPPAGEXSY-GJZGRUSLSA-N 2 0 281.444 1.850 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001375348524 974346186 /nfs/dbraw/zinc/34/61/86/974346186.db2.gz KNTFHOPPAGEXSY-LSDHHAIUSA-N 2 0 281.444 1.850 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+]2CCC(C)(C)C)C1 ZINC001375347006 974346553 /nfs/dbraw/zinc/34/65/53/974346553.db2.gz MNUHVHBGXRTFMA-GJZGRUSLSA-N 2 0 295.471 1.955 10 0 CDAERP Cc1nccn1CC(=O)NCC1([NH2+]CC[C@H](C)F)CC1 ZINC001375542696 974416898 /nfs/dbraw/zinc/41/68/98/974416898.db2.gz HPDNNNNTWZHHSB-NSHDSACASA-N 2 0 282.363 1.178 10 0 CDAERP C[NH+](C)CCC(=O)N1CCCCC[C@@H]([NH2+]CC2CC2)C1 ZINC001375653716 974445079 /nfs/dbraw/zinc/44/50/79/974445079.db2.gz VQAVPTKOLCVUDY-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N[C@]2(C)CC[NH+](CCCF)C2)C1 ZINC001375845900 974493169 /nfs/dbraw/zinc/49/31/69/974493169.db2.gz RWWVFRZTUPUXEL-DZGCQCFKSA-N 2 0 285.407 1.268 10 0 CDAERP C[C@@H]([NH2+]CCCF)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001501066761 974526744 /nfs/dbraw/zinc/52/67/44/974526744.db2.gz JLQWVQKAHUIXLK-HIFRSBDPSA-N 2 0 299.434 1.514 10 0 CDAERP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C[NH2+]CCF ZINC001501129658 974539700 /nfs/dbraw/zinc/53/97/00/974539700.db2.gz IRNXNGHKEWBBBH-KGLIPLIRSA-N 2 0 299.434 1.514 10 0 CDAERP Cc1cc(CN2CCC[C@@H](NC(=O)CC[NH+](C)C)C2)on1 ZINC001376071560 974552081 /nfs/dbraw/zinc/55/20/81/974552081.db2.gz OJNQQDYUEKXYCR-CYBMUJFWSA-N 2 0 294.399 1.015 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001376166635 974591417 /nfs/dbraw/zinc/59/14/17/974591417.db2.gz PQBBZGZZRJZNAE-LSDHHAIUSA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)=CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001501648248 974616772 /nfs/dbraw/zinc/61/67/72/974616772.db2.gz WMOAIMPKAUTCCV-HOTGVXAUSA-N 2 0 293.455 1.733 10 0 CDAERP CC[C@H](F)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001376912778 974815452 /nfs/dbraw/zinc/81/54/52/974815452.db2.gz XHTLTBCYYWLMPO-KBPBESRZSA-N 2 0 287.423 1.609 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001376939208 974825272 /nfs/dbraw/zinc/82/52/72/974825272.db2.gz BLIJPMYWNKISKS-LSDHHAIUSA-N 2 0 281.444 1.565 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC1CC1 ZINC001377028311 974859445 /nfs/dbraw/zinc/85/94/45/974859445.db2.gz RSHMFTITMFEHKG-ZFWWWQNUSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NCC[C@H](C)[NH2+]C[C@@H]1CCCCO1 ZINC001377112795 974888078 /nfs/dbraw/zinc/88/80/78/974888078.db2.gz RCAGKYZMTBTCEW-GJZGRUSLSA-N 2 0 299.459 1.380 10 0 CDAERP CC[C@H](C)C[N@H+](CC)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001377334393 974979263 /nfs/dbraw/zinc/97/92/63/974979263.db2.gz DIBKLALZPDURKD-LSDHHAIUSA-N 2 0 283.460 1.812 10 0 CDAERP CC[C@H](C)C[N@@H+]1CCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001377406476 975010658 /nfs/dbraw/zinc/01/06/58/975010658.db2.gz XEIWRTABVXDVDR-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H](CCNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]CCF ZINC001377443140 975029687 /nfs/dbraw/zinc/02/96/87/975029687.db2.gz BMHRSWSOPJUGQE-QWHCGFSZSA-N 2 0 273.396 1.315 10 0 CDAERP C[N@H+](CCCF)C[C@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001377672425 975107233 /nfs/dbraw/zinc/10/72/33/975107233.db2.gz RGZNHUBNZZQHCS-UONOGXRCSA-N 2 0 285.407 1.221 10 0 CDAERP C[N@H+](CCCF)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001377773475 975136436 /nfs/dbraw/zinc/13/64/36/975136436.db2.gz WQHJZKFTPKMFHY-ZIAGYGMSSA-N 2 0 285.407 1.078 10 0 CDAERP CC[C@H](C(=O)NC1(C[NH2+]CCF)CCCCC1)[NH+](C)C ZINC001506522422 975173115 /nfs/dbraw/zinc/17/31/15/975173115.db2.gz NQJUSBYMARCQPI-CYBMUJFWSA-N 2 0 287.423 1.705 10 0 CDAERP CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001506579296 975182305 /nfs/dbraw/zinc/18/23/05/975182305.db2.gz MJURJALPSGANFO-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)[NH+]1CC([C@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001506655935 975198109 /nfs/dbraw/zinc/19/81/09/975198109.db2.gz PKJZLVJOAGVXQK-OLZOCXBDSA-N 2 0 267.417 1.173 10 0 CDAERP CC[NH2+][C@H](CCNC(=O)C12CCC[NH+]1CCC2)C(C)C ZINC001506988410 975286242 /nfs/dbraw/zinc/28/62/42/975286242.db2.gz RBTSXLVRBHJBSA-CQSZACIVSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CCCF)[NH+](C)C ZINC001507145845 975353006 /nfs/dbraw/zinc/35/30/06/975353006.db2.gz AKBBAZUIOLLXAP-VXGBXAGGSA-N 2 0 261.385 1.123 10 0 CDAERP CCC[N@@H+]1C[C@H](NC(=O)CCc2c[nH]cn2)C(C)(C)C1 ZINC001378640577 975424986 /nfs/dbraw/zinc/42/49/86/975424986.db2.gz OXXCWDXHZPLTBL-ZDUSSCGKSA-N 2 0 278.400 1.579 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1[NH+](CCCF)CC2 ZINC001507351804 975426908 /nfs/dbraw/zinc/42/69/08/975426908.db2.gz ICPGHHAMTIACLM-ZBFHGGJFSA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001507360330 975429135 /nfs/dbraw/zinc/42/91/35/975429135.db2.gz GOUWFJXSWLVRSH-OWCLPIDISA-N 2 0 295.471 1.953 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N[C@@](C)(C[NH2+]CC2CCC2)C2CC2)C1 ZINC001401024491 975437480 /nfs/dbraw/zinc/43/74/80/975437480.db2.gz RUHIUWSPPZONSZ-PBHICJAKSA-N 2 0 293.455 1.613 10 0 CDAERP CCC(CC)C[N@@H+]1CCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001378684716 975442298 /nfs/dbraw/zinc/44/22/98/975442298.db2.gz KRMQCBKKYPCEQG-OAHLLOKOSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1CCCF ZINC001507383332 975444479 /nfs/dbraw/zinc/44/44/79/975444479.db2.gz OEWPEKVZBQDPQK-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CC3)C2)C1 ZINC001388761615 975584327 /nfs/dbraw/zinc/58/43/27/975584327.db2.gz WLXLZMUJPGZRPP-ARFHVFGLSA-N 2 0 293.455 1.613 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001401376335 975631128 /nfs/dbraw/zinc/63/11/28/975631128.db2.gz IKDHKKITKOWMPX-GJZGRUSLSA-N 2 0 283.460 1.907 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccn1 ZINC001405343718 975718705 /nfs/dbraw/zinc/71/87/05/975718705.db2.gz LWOXBOTZTUNHQP-UONOGXRCSA-N 2 0 290.411 1.018 10 0 CDAERP CC(C)[NH2+][C@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001379323506 975766164 /nfs/dbraw/zinc/76/61/64/975766164.db2.gz CQZUKMAGCCPOKX-CABCVRRESA-N 2 0 283.460 1.952 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]CCF ZINC001389326153 975770224 /nfs/dbraw/zinc/77/02/24/975770224.db2.gz RTDIQQZFNVBPPJ-UONOGXRCSA-N 2 0 287.423 1.655 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(F)cn1)[NH+](C)C ZINC001401692410 975802511 /nfs/dbraw/zinc/80/25/11/975802511.db2.gz FZILMZUGYMYKNN-SMDDNHRTSA-N 2 0 296.390 1.155 10 0 CDAERP CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001401778519 975905315 /nfs/dbraw/zinc/90/53/15/975905315.db2.gz XRZNFYVZXLECDS-UKRRQHHQSA-N 2 0 281.444 1.850 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1cccc(F)c1 ZINC001379596504 975942531 /nfs/dbraw/zinc/94/25/31/975942531.db2.gz GODYIRNLONNTDK-ZDUSSCGKSA-N 2 0 295.402 1.760 10 0 CDAERP CC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]1[NH2+]C(C)C ZINC001401886944 975974743 /nfs/dbraw/zinc/97/47/43/975974743.db2.gz YVHRWKDWXQPBPZ-HUUCEWRRSA-N 2 0 283.460 1.952 10 0 CDAERP C[C@@H](C[N@H+](C)CC1CC1)NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001379693655 976013355 /nfs/dbraw/zinc/01/33/55/976013355.db2.gz SJCFRZZVRABDGC-ZFWWWQNUSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001401930139 976017145 /nfs/dbraw/zinc/01/71/45/976017145.db2.gz QFSKNFPYQHTZIL-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH]cn2)C1 ZINC001389849893 976018961 /nfs/dbraw/zinc/01/89/61/976018961.db2.gz COMXYFDGPUHXSP-RAIGVLPGSA-N 2 0 282.363 1.327 10 0 CDAERP CN(CC[N@H+](C)CC1CC1)C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001406110048 976032386 /nfs/dbraw/zinc/03/23/86/976032386.db2.gz WUJWGLMSAWRQAZ-HZPDHXFCSA-N 2 0 293.455 1.804 10 0 CDAERP C[C@@H](C[N@H+](C)CCC1CC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001379760810 976055402 /nfs/dbraw/zinc/05/54/02/976055402.db2.gz FBCKUUPKOKYTAR-ZDUSSCGKSA-N 2 0 279.428 1.319 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CC2CCC2)CCN1C(=O)CC[NH+](C)C ZINC001402055057 976102456 /nfs/dbraw/zinc/10/24/56/976102456.db2.gz RLVMPFCBKUIKJK-UKRRQHHQSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N(C)C2CC([NH2+]C/C=C/Cl)C2)C1 ZINC001380173012 976277470 /nfs/dbraw/zinc/27/74/70/976277470.db2.gz UVUMXGRYOUTETA-QXZOEUHTSA-N 2 0 299.846 1.660 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1([NH2+]C/C=C/Cl)CC1 ZINC001380174184 976277932 /nfs/dbraw/zinc/27/79/32/976277932.db2.gz XUOAKHYSLTYZQN-FQNJYXDJSA-N 2 0 299.846 1.850 10 0 CDAERP C[C@H](C[N@H+](C)CC1CCCC1)NC(=O)[C@H]1CCC[NH+]1C ZINC001406588143 976280256 /nfs/dbraw/zinc/28/02/56/976280256.db2.gz TUMDJRFNXUFUMZ-UKRRQHHQSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001402491202 976313030 /nfs/dbraw/zinc/31/30/30/976313030.db2.gz ZKDIDJXOYLEBKN-GDBMZVCRSA-N 2 0 293.455 1.565 10 0 CDAERP CCC[N@H+](C)CCC(=O)N(C)C1C[NH+](CCC2CC2)C1 ZINC001380255325 976313623 /nfs/dbraw/zinc/31/36/23/976313623.db2.gz ZFFYOHVEPRQFIZ-UHFFFAOYSA-N 2 0 281.444 1.661 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001380272844 976324493 /nfs/dbraw/zinc/32/44/93/976324493.db2.gz QAGQZVQSNKRJBW-DZGCQCFKSA-N 2 0 299.434 1.799 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CCCCC1 ZINC001390515885 976343562 /nfs/dbraw/zinc/34/35/62/976343562.db2.gz CTHUZNGJCWPDJL-UKRRQHHQSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC2CC2)[C@H](C)C1 ZINC001402818524 976496898 /nfs/dbraw/zinc/49/68/98/976496898.db2.gz UAGXCXGTLPFBIK-UKRRQHHQSA-N 2 0 281.444 1.706 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)CC1CCCC1 ZINC001399478329 976516627 /nfs/dbraw/zinc/51/66/27/976516627.db2.gz CKSNPOYZPWGAKX-INIZCTEOSA-N 2 0 293.455 1.566 10 0 CDAERP C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CC1CCCC1 ZINC001402880408 976562069 /nfs/dbraw/zinc/56/20/69/976562069.db2.gz JEEJVBCKSZWPSP-CJNGLKHVSA-N 2 0 293.455 1.613 10 0 CDAERP Cc1cc(C)cc(C[N@@H+](C)CCNC(=O)CC[NH+](C)C)c1 ZINC001399565342 976568980 /nfs/dbraw/zinc/56/89/80/976568980.db2.gz AAWQRUVRABRCET-UHFFFAOYSA-N 2 0 291.439 1.803 10 0 CDAERP CC[N@H+](C)CCC(=O)NCC[NH+](C)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001399612759 976602539 /nfs/dbraw/zinc/60/25/39/976602539.db2.gz KPIOUQJHPQYMKP-OAGGEKHMSA-N 2 0 295.471 1.812 10 0 CDAERP CC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccsc1)[NH+](C)C ZINC001402999639 976654064 /nfs/dbraw/zinc/65/40/64/976654064.db2.gz JEIRWRCCKGRPRE-YPMHNXCESA-N 2 0 283.441 1.683 10 0 CDAERP CCC[NH2+][C@H](C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001400085044 976845546 /nfs/dbraw/zinc/84/55/46/976845546.db2.gz OXMXQKLIVJUFLH-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1C[NH+](CC2CC2)C1 ZINC001403341944 976895034 /nfs/dbraw/zinc/89/50/34/976895034.db2.gz YQYFBBADMNTIQQ-JSGCOSHPSA-N 2 0 279.428 1.175 10 0 CDAERP C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]CC1CCCC1 ZINC001408090095 976911198 /nfs/dbraw/zinc/91/11/98/976911198.db2.gz KKXATCOSXQXFLL-GOEBONIOSA-N 2 0 295.471 1.955 10 0 CDAERP C[N@H+](CCF)C[C@@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001400228935 976939177 /nfs/dbraw/zinc/93/91/77/976939177.db2.gz NPBVAWNJWGIXIP-KBPBESRZSA-N 2 0 285.407 1.078 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](C[C@@H](C)CC)C1 ZINC001400298318 976974319 /nfs/dbraw/zinc/97/43/19/976974319.db2.gz VJMHKJPCLYQXHQ-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001381721353 976990091 /nfs/dbraw/zinc/99/00/91/976990091.db2.gz VQFKHJOIXFSGMU-CABCVRRESA-N 2 0 283.460 1.809 10 0 CDAERP CCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@H+](C[C@H](C)OC)C1 ZINC001391653844 977013583 /nfs/dbraw/zinc/01/35/83/977013583.db2.gz DBWJSSJUCPVMAS-LSDHHAIUSA-N 2 0 299.459 1.284 10 0 CDAERP CCC[NH+]1CC([C@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001381787203 977022846 /nfs/dbraw/zinc/02/28/46/977022846.db2.gz MRROMPQIOXOWRE-ZFWWWQNUSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccccc1 ZINC001391669300 977034998 /nfs/dbraw/zinc/03/49/98/977034998.db2.gz XHXJTAXQDGZRNS-CVEARBPZSA-N 2 0 289.423 1.765 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NCC2C[NH+](CCC(C)(C)C)C2)C1 ZINC001400542809 977085092 /nfs/dbraw/zinc/08/50/92/977085092.db2.gz ANZSPFTYQPNMLO-CQSZACIVSA-N 2 0 295.471 1.812 10 0 CDAERP CC[NH2+]C[C@H]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001381971876 977104378 /nfs/dbraw/zinc/10/43/78/977104378.db2.gz GRSBDGWSACEFCC-SHTZXODSSA-N 2 0 281.444 1.757 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH2+]CC3CC3)CCCC2)C1 ZINC001392025026 977185186 /nfs/dbraw/zinc/18/51/86/977185186.db2.gz UUEKJSDSHHHGCX-HNNXBMFYSA-N 2 0 293.455 1.757 10 0 CDAERP CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC1CCCC1)[NH+](C)C ZINC001392129281 977229361 /nfs/dbraw/zinc/22/93/61/977229361.db2.gz ZDLNAYCXNYECTB-HIFRSBDPSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]C/C=C/Cl)CN1C(=O)C12CC[NH+](CC1)C2 ZINC001382310754 977246428 /nfs/dbraw/zinc/24/64/28/977246428.db2.gz HGPMTYMEBFZJQQ-XZKJTIFOSA-N 2 0 297.830 1.414 10 0 CDAERP Cc1ncc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)CC[NH+](C)C)C2)o1 ZINC001382321505 977248490 /nfs/dbraw/zinc/24/84/90/977248490.db2.gz XFMYQQRDLMGIQH-DGCLKSJQSA-N 2 0 294.399 1.014 10 0 CDAERP CC(C)[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC1CCC1 ZINC001392251219 977281225 /nfs/dbraw/zinc/28/12/25/977281225.db2.gz UPQUJZQCLCUTHZ-CVEARBPZSA-N 2 0 295.471 1.859 10 0 CDAERP C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC[NH+](CCF)CC1 ZINC001403983147 977293290 /nfs/dbraw/zinc/29/32/90/977293290.db2.gz GCIZNTZWFQBJQD-ZIAGYGMSSA-N 2 0 299.434 1.514 10 0 CDAERP CC(C)OCC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001404032868 977313890 /nfs/dbraw/zinc/31/38/90/977313890.db2.gz YDPNQNJMQCSSKK-HNNXBMFYSA-N 2 0 299.459 1.332 10 0 CDAERP C[C@H](C[N@H+](C)CC1CCCCC1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001392719464 977570073 /nfs/dbraw/zinc/57/00/73/977570073.db2.gz AJCWUCOIDGTBQM-GDBMZVCRSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N[C@]2(C)CC[NH+](CC3CC3)C2)C1 ZINC001393119107 977711186 /nfs/dbraw/zinc/71/11/86/977711186.db2.gz UIAKAIZSCGEGHJ-XJKSGUPXSA-N 2 0 279.428 1.319 10 0 CDAERP C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C[NH2+]CC1CCC1 ZINC001393391652 977776459 /nfs/dbraw/zinc/77/64/59/977776459.db2.gz CTSCMUKCHLXVMI-GOEBONIOSA-N 2 0 295.471 1.812 10 0 CDAERP CC(C)C[NH2+]C1(C)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001393746655 977908167 /nfs/dbraw/zinc/90/81/67/977908167.db2.gz IRDFFXNYIDRUSR-UHFFFAOYSA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001394499414 978183882 /nfs/dbraw/zinc/18/38/82/978183882.db2.gz IAMLJHKEOQTSQV-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@@H](F)CN1CC[C@@H]1CN(C)C(=O)CCC[NH+](C)C ZINC001397007367 978569894 /nfs/dbraw/zinc/56/98/94/978569894.db2.gz WSWMJJKUUPAISI-ZIAGYGMSSA-N 2 0 287.423 1.609 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001676467116 1174228356 /nfs/dbraw/zinc/22/83/56/1174228356.db2.gz BAICXUDYLNLOKO-GJZGRUSLSA-N 2 0 283.460 1.975 10 0 CDAERP COCCC[NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C ZINC001677019404 1174307497 /nfs/dbraw/zinc/30/74/97/1174307497.db2.gz VWCXUYYLGHEDRP-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@H](CC[NH2+]CC2CC2)C1 ZINC001570013343 1170060328 /nfs/dbraw/zinc/06/03/28/1170060328.db2.gz JJBNCCINNSSRTF-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP CCC[NH2+]C1(CNC(=O)C[N@H+](C)C(C)C)CCC1 ZINC001570127517 1170087004 /nfs/dbraw/zinc/08/70/04/1170087004.db2.gz JVQNAFRTIUVRJY-UHFFFAOYSA-N 2 0 255.406 1.365 10 0 CDAERP CCCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCO1 ZINC001570141931 1170093846 /nfs/dbraw/zinc/09/38/46/1170093846.db2.gz BKDYLNMLCQPXAM-HNNXBMFYSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001570608783 1170208692 /nfs/dbraw/zinc/20/86/92/1170208692.db2.gz SVGLOJVDPZEMIQ-QWHCGFSZSA-N 2 0 269.433 1.610 10 0 CDAERP CCC[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001570736124 1170261184 /nfs/dbraw/zinc/26/11/84/1170261184.db2.gz RDQBQFZKBAOBLK-STQMWFEESA-N 2 0 255.406 1.175 10 0 CDAERP CC[N@@H+]1CCCC2(CN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001571053128 1170331599 /nfs/dbraw/zinc/33/15/99/1170331599.db2.gz CJTXUWHUFIPUDI-UHFFFAOYSA-N 2 0 267.417 1.271 10 0 CDAERP CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001571256808 1170356545 /nfs/dbraw/zinc/35/65/45/1170356545.db2.gz CNXOONDQHRONIM-YNEHKIRRSA-N 2 0 255.406 1.221 10 0 CDAERP O[C@H](C[NH2+]C1CCC1)CO[C@@H]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000675079037 539085757 /nfs/dbraw/zinc/08/57/57/539085757.db2.gz DNGZWFNVDPTICO-ZGKBOVNRSA-N 2 0 268.401 1.037 10 0 CDAERP C[NH2+]Cc1ccccc1C[NH2+]Cc1cnc(N(C)C)nc1 ZINC000650719127 398159468 /nfs/dbraw/zinc/15/94/68/398159468.db2.gz DXPSJDMYHVWBHZ-UHFFFAOYSA-N 2 0 285.395 1.552 10 0 CDAERP [NH3+]CC1(CC[NH2+]Cc2ccc(-n3cncn3)cc2)CC1 ZINC000650712544 398155628 /nfs/dbraw/zinc/15/56/28/398155628.db2.gz JPLLWFDLESNVFZ-UHFFFAOYSA-N 2 0 271.368 1.486 10 0 CDAERP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCC1(C[NH3+])CC1 ZINC000650747908 398174422 /nfs/dbraw/zinc/17/44/22/398174422.db2.gz KDWYGXMQGNRUOW-UKRRQHHQSA-N 3 0 261.413 1.664 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650755888 398179494 /nfs/dbraw/zinc/17/94/94/398179494.db2.gz OZZBYKCITLWAIW-ZDUSSCGKSA-N 3 0 269.364 1.128 10 0 CDAERP CCOC(=O)CCCCN1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601335689 342555240 /nfs/dbraw/zinc/55/52/40/342555240.db2.gz XDVYJAWBIXNUHR-KBPBESRZSA-N 2 0 268.401 1.794 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000092629663 342554801 /nfs/dbraw/zinc/55/48/01/342554801.db2.gz KCWUZGVFYVAFRH-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000232801656 342033610 /nfs/dbraw/zinc/03/36/10/342033610.db2.gz RGXDBKNJHNVTJY-UONOGXRCSA-N 2 0 279.428 1.461 10 0 CDAERP CC[C@@H](C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)[NH+](C)C ZINC000617012138 342604409 /nfs/dbraw/zinc/60/44/09/342604409.db2.gz VJCCVHFJACLCKW-NEPJUHHUSA-N 2 0 255.406 1.316 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000617014399 342607925 /nfs/dbraw/zinc/60/79/25/342607925.db2.gz ITFUNIMOWXJGPW-KBPBESRZSA-N 2 0 281.444 1.850 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC000617003342 342600844 /nfs/dbraw/zinc/60/08/44/342600844.db2.gz ZVSTZRVITZIXDQ-ZIAGYGMSSA-N 2 0 281.444 1.565 10 0 CDAERP [NH3+]CCN1CC[NH2+]C[C@H]1c1ccc2cccnc2c1 ZINC000616635760 342121306 /nfs/dbraw/zinc/12/13/06/342121306.db2.gz LQGRZOIZMCGBRM-HNNXBMFYSA-N 2 0 256.353 1.140 10 0 CDAERP [NH3+]C[C@@H]1C[NH2+]C[C@H]1c1ccccc1Br ZINC000096884144 185120018 /nfs/dbraw/zinc/12/00/18/185120018.db2.gz ZRSIULKZJVGMDI-PSASIEDQSA-N 2 0 255.159 1.711 10 0 CDAERP CC[NH+](CC)C[C@H]1CCN(Cc2ccnc(C)n2)C1 ZINC000351666719 361850268 /nfs/dbraw/zinc/85/02/68/361850268.db2.gz XKQNMRUJAGFFNW-CQSZACIVSA-N 2 0 262.401 1.949 10 0 CDAERP C[NH+]1CCC2(CC1)C[NH2+]CCN2Cc1ccccc1 ZINC000096949970 185138407 /nfs/dbraw/zinc/13/84/07/185138407.db2.gz AHPZHJNAHXAPTR-UHFFFAOYSA-N 2 0 259.397 1.556 10 0 CDAERP C[NH+](C)[C@H]1CCN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000093677738 342204275 /nfs/dbraw/zinc/20/42/75/342204275.db2.gz AFVJPGHUHHNXOL-GSPSYOTPSA-N 2 0 265.401 1.070 10 0 CDAERP COc1ccc2c(c1)C[C@H]([NH2+]CCOCCC[NH3+])CC2 ZINC000629398061 361930067 /nfs/dbraw/zinc/93/00/67/361930067.db2.gz KYVQAIMPTSBAEJ-OAHLLOKOSA-N 2 0 278.396 1.508 10 0 CDAERP Cn1cc(C[NH2+]CCOCCC[NH3+])c(-c2ccccc2)n1 ZINC000629399449 361935833 /nfs/dbraw/zinc/93/58/33/361935833.db2.gz GXWFNEWEGPGGKM-UHFFFAOYSA-N 2 0 288.395 1.542 10 0 CDAERP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]CCOCCC[NH3+])C1 ZINC000629399517 361936531 /nfs/dbraw/zinc/93/65/31/361936531.db2.gz SOONDOQGMSNLKV-WBVHZDCISA-N 2 0 291.439 1.777 10 0 CDAERP CO[C@H]1CCC[C@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)C1 ZINC000234822895 539043875 /nfs/dbraw/zinc/04/38/75/539043875.db2.gz NHOBYCMSOQKLJP-GJZGRUSLSA-N 2 0 283.460 1.560 10 0 CDAERP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)C1CC[NH+](C)CC1 ZINC000151345186 539073651 /nfs/dbraw/zinc/07/36/51/539073651.db2.gz UFNHJILMMMUQQE-ZBFHGGJFSA-N 3 0 283.460 1.153 10 0 CDAERP CC[NH+]1CCC(CC[NH2+][C@H](C)[C@H]2C[C@H]2C(=O)OC)CC1 ZINC000594927853 342973826 /nfs/dbraw/zinc/97/38/26/342973826.db2.gz ADADFUOOJFKYSM-BPLDGKMQSA-N 2 0 282.428 1.896 10 0 CDAERP C[C@@H](C(=O)NCCNc1cc[nH+]cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000534523469 282198706 /nfs/dbraw/zinc/19/87/06/282198706.db2.gz TWYFKVJDSDFCPQ-MCIONIFRSA-N 2 0 290.411 1.293 10 0 CDAERP COC(=O)CC(C)(C)C[C@H](C)[NH2+]CCC[NH+](C)C ZINC000595007647 342989846 /nfs/dbraw/zinc/98/98/46/342989846.db2.gz PNCYSBXZEVZDAI-LBPRGKRZSA-N 2 0 258.406 1.896 10 0 CDAERP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000594946989 342981082 /nfs/dbraw/zinc/98/10/82/342981082.db2.gz VPRYXPLQFBOTQB-KWCYVHTRSA-N 2 0 268.401 1.648 10 0 CDAERP C[C@@H](CSCCF)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000595018893 342996026 /nfs/dbraw/zinc/99/60/26/342996026.db2.gz UHSLJWZLIQDMFF-NWDGAFQWSA-N 2 0 264.410 1.124 10 0 CDAERP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631167716 362093976 /nfs/dbraw/zinc/09/39/76/362093976.db2.gz QQFMHLUXSLWUIL-UHFFFAOYSA-N 2 0 251.374 1.855 10 0 CDAERP [NH3+][C@H](C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)C1CCC1 ZINC000645107487 362120805 /nfs/dbraw/zinc/12/08/05/362120805.db2.gz PXASBQGABNSYFK-MCIONIFRSA-N 2 0 265.401 1.104 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)c1cc(F)ccc1F ZINC000629529071 362154719 /nfs/dbraw/zinc/15/47/19/362154719.db2.gz QYIFOZLUZXEVGT-SNVBAGLBSA-N 2 0 258.312 1.851 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000629530960 362159728 /nfs/dbraw/zinc/15/97/28/362159728.db2.gz WBNMDLCVVIIVFW-AWEZNQCLSA-N 2 0 264.369 1.595 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000629530741 362159915 /nfs/dbraw/zinc/15/99/15/362159915.db2.gz PNZWZQWFJLQTRC-ZBFHGGJFSA-N 2 0 277.412 1.933 10 0 CDAERP CC(C)CC[C@@H](O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366536071 362169535 /nfs/dbraw/zinc/16/95/35/362169535.db2.gz QGFOAWYQLQHYEI-CABCVRRESA-N 2 0 254.418 1.811 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000629531618 362163668 /nfs/dbraw/zinc/16/36/68/362163668.db2.gz RLEDWTHEYMKTCD-ZIAGYGMSSA-N 3 0 257.422 1.123 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](C)c1ccncc1 ZINC000629532252 362163982 /nfs/dbraw/zinc/16/39/82/362163982.db2.gz SJOSDMLACLCHBR-TZMCWYRMSA-N 2 0 251.374 1.529 10 0 CDAERP C[C@@H](c1nc([C@H]2C[NH2+]CCN2C)no1)N1CCCCCC1 ZINC000263175465 362176648 /nfs/dbraw/zinc/17/66/48/362176648.db2.gz GDIDCTFRBKAXGH-QWHCGFSZSA-N 2 0 293.415 1.583 10 0 CDAERP COC(=O)COc1ccc(C[N@H+](C)CC2CN(C)C2)cc1 ZINC000597204345 343473422 /nfs/dbraw/zinc/47/34/22/343473422.db2.gz AKSACIDPLKGPJD-UHFFFAOYSA-N 2 0 292.379 1.232 10 0 CDAERP COC(=O)C1(C)CN(Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000597160826 343464071 /nfs/dbraw/zinc/46/40/71/343464071.db2.gz MOOXLTAUBYPDDG-UHFFFAOYSA-N 2 0 286.335 1.262 10 0 CDAERP C[NH2+][C@H](C)C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000054076066 343709257 /nfs/dbraw/zinc/70/92/57/343709257.db2.gz CIOFVJWKYFEQAU-SCRDCRAPSA-N 2 0 255.406 1.221 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H](CO)Cc2ccco2)CC1(C)C ZINC000623454333 346988747 /nfs/dbraw/zinc/98/87/47/346988747.db2.gz ABXBQXPKDWIFMP-UONOGXRCSA-N 2 0 280.412 1.893 10 0 CDAERP COC[C@H](C)[N@H+](C)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052182482 522593851 /nfs/dbraw/zinc/59/38/51/522593851.db2.gz LQOVRWXQKZHWIH-ZDUSSCGKSA-N 2 0 270.417 1.502 10 0 CDAERP CS[C@H](CO)[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000598966705 343931004 /nfs/dbraw/zinc/93/10/04/343931004.db2.gz ZBLZEFMEIOMUDM-IJLUTSLNSA-N 2 0 260.447 1.561 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000251873880 344059996 /nfs/dbraw/zinc/05/99/96/344059996.db2.gz UGHUMTJETBVZBM-ILXRZTDVSA-N 2 0 279.428 1.461 10 0 CDAERP CN(Cc1ccc2c(c1)OCCO2)C[C@@]1(C)CC[NH2+]C1 ZINC000571403580 362493468 /nfs/dbraw/zinc/49/34/68/362493468.db2.gz LNWQCYLOMFHHMX-INIZCTEOSA-N 2 0 276.380 1.889 10 0 CDAERP C[N@H+](CC(=O)N1CC[NH+](C)[C@@H](C(C)(C)C)C1)C1CCC1 ZINC000640612771 362520981 /nfs/dbraw/zinc/52/09/81/362520981.db2.gz PKZFVRGMBCAUOJ-CQSZACIVSA-N 2 0 281.444 1.659 10 0 CDAERP CC[N@H+](CC(=O)N1CC[NH+](C)[C@H](C(C)(C)C)C1)C1CC1 ZINC000640615548 362543138 /nfs/dbraw/zinc/54/31/38/362543138.db2.gz VBBLLBMAOSUZQN-AWEZNQCLSA-N 2 0 281.444 1.659 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000079512364 362644889 /nfs/dbraw/zinc/64/48/89/362644889.db2.gz RORHOQVVCFHZIN-JSGCOSHPSA-N 2 0 255.406 1.221 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1c2ccccc2CN(C)C1=O ZINC000623240255 345743453 /nfs/dbraw/zinc/74/34/53/345743453.db2.gz FICSQWYKGDZUEI-SWLSCSKDSA-N 2 0 275.396 1.807 10 0 CDAERP C[C@@H]1CN(CCC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C[C@H](C)O1 ZINC000623344988 346072217 /nfs/dbraw/zinc/07/22/17/346072217.db2.gz MDEVPKCUWWXTIT-OWCLPIDISA-N 2 0 297.487 1.948 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC[N@@H+]1C ZINC000631617955 362682410 /nfs/dbraw/zinc/68/24/10/362682410.db2.gz YWLAHFMDKKVZIS-GUTXKFCHSA-N 2 0 299.484 1.270 10 0 CDAERP C[C@@H](Cc1ccoc1)[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000449396217 362692057 /nfs/dbraw/zinc/69/20/57/362692057.db2.gz KSYBHIZFJFMIHA-DZGCQCFKSA-N 2 0 266.385 1.647 10 0 CDAERP [NH3+][C@H]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000085365100 179036260 /nfs/dbraw/zinc/03/62/60/179036260.db2.gz UHZJXGLZQWGLIK-UBHSHLNASA-N 2 0 265.401 1.104 10 0 CDAERP CN(C)CC[N@@H+]1CCCCC[C@H]1C1CC[NH2+]CC1 ZINC000085403713 179052979 /nfs/dbraw/zinc/05/29/79/179052979.db2.gz IWFFZHLUBJYIPW-HNNXBMFYSA-N 2 0 253.434 1.792 10 0 CDAERP CN1CC[C@@H]([NH2+][C@@H]2CCCS(=O)(=O)C2)CC1(C)C ZINC000623423808 346470744 /nfs/dbraw/zinc/47/07/44/346470744.db2.gz RXUWPCNELIEGBP-VXGBXAGGSA-N 2 0 274.430 1.026 10 0 CDAERP CC(C)c1nc2c(n1CCCC[NH+](C)C)CC[NH2+]C2 ZINC000085572977 179098532 /nfs/dbraw/zinc/09/85/32/179098532.db2.gz NRQFVUFICAMUSU-UHFFFAOYSA-N 2 0 264.417 1.994 10 0 CDAERP Cc1nc2c(n1[C@@H](C)C[NH+]1CCCCC1)CC[NH2+]C2 ZINC000085574282 179099503 /nfs/dbraw/zinc/09/95/03/179099503.db2.gz WJOYERIUDVGQCD-LBPRGKRZSA-N 2 0 262.401 1.884 10 0 CDAERP Cc1nccn1CC[N@@H+]1CCC[NH2+][C@@H](C(C)C)C1 ZINC000085608323 179101785 /nfs/dbraw/zinc/10/17/85/179101785.db2.gz IBOYYKDTUJUZQB-CQSZACIVSA-N 2 0 250.390 1.511 10 0 CDAERP CCC[NH2+][C@H](CCO)CN1CCC([NH+]2CCCCC2)CC1 ZINC000085921887 179200100 /nfs/dbraw/zinc/20/01/00/179200100.db2.gz HMTYCDKRZYTELK-MRXNPFEDSA-N 2 0 297.487 1.687 10 0 CDAERP CCC[NH2+][C@H](CCO)CN1CCC(C[NH+](C)C)CC1 ZINC000085922273 179200810 /nfs/dbraw/zinc/20/08/10/179200810.db2.gz WMJGPKPOMJOENM-OAHLLOKOSA-N 2 0 271.449 1.011 10 0 CDAERP [NH3+]C1(CNC(=O)N[C@H]2CC23CC[NH2+]CC3)CCCCCC1 ZINC000612988786 347356589 /nfs/dbraw/zinc/35/65/89/347356589.db2.gz UZQXMXDOOODJNU-ZDUSSCGKSA-N 2 0 294.443 1.479 10 0 CDAERP C[N@@H+]1CC[C@H](CN2CC[NH2+][C@H](C3CCCCC3)C2)C1 ZINC000086141893 179236726 /nfs/dbraw/zinc/23/67/26/179236726.db2.gz ONYJJJUCUUPONN-HOCLYGCPSA-N 2 0 265.445 1.792 10 0 CDAERP C[NH+]1CCC(C[N@@H+]2CCNC3(CCCCC3)C2)CC1 ZINC000086145645 179237977 /nfs/dbraw/zinc/23/79/77/179237977.db2.gz KVWCLTUEUJWIRX-UHFFFAOYSA-N 2 0 265.445 1.936 10 0 CDAERP COC(=O)C1(C[NH+]2CCC3(CCC[N@@H+]3C)CC2)CC1 ZINC000450649273 362843341 /nfs/dbraw/zinc/84/33/41/362843341.db2.gz XAUMKUIKBHOSDV-UHFFFAOYSA-N 2 0 266.385 1.500 10 0 CDAERP CC[N@@H+]1CC[C@H](CN2CC[NH2+]C[C@@H]2c2ccccc2)C1 ZINC000086177261 179246939 /nfs/dbraw/zinc/24/69/39/179246939.db2.gz ZHKXVLIHAIGBFF-DOTOQJQBSA-N 2 0 273.424 1.975 10 0 CDAERP C[C@H]1C[C@H](C[N@H+](C)CC(=O)NC(C)(C)C)CC[NH2+]1 ZINC000414684633 365890793 /nfs/dbraw/zinc/89/07/93/365890793.db2.gz WLYNZIFCHJXBLK-NWDGAFQWSA-N 2 0 255.406 1.221 10 0 CDAERP CC[C@H]1C[NH2+]C(C)(C)CN1[C@@H]1CCC[N@H+](CC)C1 ZINC000086225447 179253677 /nfs/dbraw/zinc/25/36/77/179253677.db2.gz QZMVSCYDPKIHBE-UONOGXRCSA-N 2 0 253.434 1.933 10 0 CDAERP C[C@H]1CN[C@H](C2CC2)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086259101 179258340 /nfs/dbraw/zinc/25/83/40/179258340.db2.gz QVMQZKROWHIWRL-WFASDCNBSA-N 2 0 251.418 1.401 10 0 CDAERP C[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086259650 179259580 /nfs/dbraw/zinc/25/95/80/179259580.db2.gz HOVIDCYONCVMPI-NWANDNLSSA-N 2 0 265.445 1.932 10 0 CDAERP CCCN(CC[NH+](CC)CC)C(=O)NC/C=C/C[NH3+] ZINC000641866787 365951239 /nfs/dbraw/zinc/95/12/39/365951239.db2.gz IYAJDAKNTJUBLW-BQYQJAHWSA-N 2 0 270.421 1.265 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CCCC[C@H]2CC(N)=O)CC[NH2+]1 ZINC000414693466 365954884 /nfs/dbraw/zinc/95/48/84/365954884.db2.gz RPFCDUDNOLHXIL-UPJWGTAASA-N 2 0 253.390 1.104 10 0 CDAERP C[C@@H]1C[C@@H](C)C[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000042247151 348720747 /nfs/dbraw/zinc/72/07/47/348720747.db2.gz JOMJODYMZZNXQU-ZIAGYGMSSA-N 2 0 293.455 1.707 10 0 CDAERP COc1ccc([C@@H](C[NH3+])N(C)CC[NH+](C)C)cc1C ZINC000104203101 185928478 /nfs/dbraw/zinc/92/84/78/185928478.db2.gz GYLDZRGWTOYHJD-CQSZACIVSA-N 2 0 265.401 1.497 10 0 CDAERP COc1c(CNC[C@H]2CCCC[N@H+](C)C2)c(C)nn1C ZINC000623655673 349319679 /nfs/dbraw/zinc/31/96/79/349319679.db2.gz BLGIBTMBUBECOE-CYBMUJFWSA-N 2 0 280.416 1.559 10 0 CDAERP CCCC[N@H+](C)CC1CC[NH+](C[C@@]2(O)CCCOC2)CC1 ZINC000659846838 412550235 /nfs/dbraw/zinc/55/02/35/412550235.db2.gz JEFFAIJQGLYXQH-KRWDZBQOSA-N 2 0 298.471 1.972 10 0 CDAERP CC[NH+](CC)CCN1CCCC[C@@H]1C[NH2+]C1CC1 ZINC000104418634 185994630 /nfs/dbraw/zinc/99/46/30/185994630.db2.gz HLBLIJZZHAWUNC-OAHLLOKOSA-N 2 0 253.434 1.935 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1c2ccccc2C(=O)N1C ZINC000629536698 362950917 /nfs/dbraw/zinc/95/09/17/362950917.db2.gz INOGLBYFGCHGQC-SWLSCSKDSA-N 2 0 275.396 1.920 10 0 CDAERP Cc1ccc([C@H](C)[NH2+]CCOCCC[NH3+])c(C)n1 ZINC000629537871 362954008 /nfs/dbraw/zinc/95/40/08/362954008.db2.gz LCKJVSIIDYUGMK-LBPRGKRZSA-N 2 0 251.374 1.714 10 0 CDAERP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000629539545 362957512 /nfs/dbraw/zinc/95/75/12/362957512.db2.gz PZPLMQKRXLYUCL-QWHCGFSZSA-N 2 0 258.406 1.535 10 0 CDAERP Cc1[nH+]ccc(N2CCN(C)C[C@@H]2C[NH3+])c1Cl ZINC000310475410 350590161 /nfs/dbraw/zinc/59/01/61/350590161.db2.gz BRIRHHVTDBIRIE-JTQLQIEISA-N 2 0 254.765 1.123 10 0 CDAERP C1CC1[C@H]1C[C@@H]([NH2+][C@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CO1 ZINC000629545892 362971654 /nfs/dbraw/zinc/97/16/54/362971654.db2.gz DAFKKUKBHDIJCV-OLMNGRFOSA-N 2 0 280.412 1.301 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+]CC(C)(C)C(=O)N1CCCC1 ZINC000629545975 362972268 /nfs/dbraw/zinc/97/22/68/362972268.db2.gz DZMVFLKHGDCRMK-CYBMUJFWSA-N 2 0 269.433 1.742 10 0 CDAERP [NH3+]CC12CCC(CC1)CN2C(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621668095 350703640 /nfs/dbraw/zinc/70/36/40/350703640.db2.gz UOPVVMPRFFWITH-VQCLRJIVSA-N 2 0 279.428 1.496 10 0 CDAERP CC[C@@H]1C[N@H+](CCc2ccnn2CC)CC[C@@H]1[NH3+] ZINC000621775298 350772120 /nfs/dbraw/zinc/77/21/20/350772120.db2.gz LBQZFXDBZDNKPC-OCCSQVGLSA-N 2 0 250.390 1.505 10 0 CDAERP CCn1nccc1CC[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000621776735 350772948 /nfs/dbraw/zinc/77/29/48/350772948.db2.gz UXDWPXIGYBCJAP-CQSZACIVSA-N 2 0 292.427 1.133 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC000622101604 350997031 /nfs/dbraw/zinc/99/70/31/350997031.db2.gz JRYBIQXQTSSPID-AWEZNQCLSA-N 2 0 296.459 1.596 10 0 CDAERP CC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)COC1 ZINC000250807301 535158259 /nfs/dbraw/zinc/15/82/59/535158259.db2.gz RTUJVQTVEHGCCA-MGPQQGTHSA-N 2 0 252.402 1.923 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH2+]C(C)C)[C@@H](C)C1 ZINC000569744770 363024016 /nfs/dbraw/zinc/02/40/16/363024016.db2.gz LLLROFSVOMAVOK-QWHCGFSZSA-N 2 0 255.406 1.173 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000624317013 351544685 /nfs/dbraw/zinc/54/46/85/351544685.db2.gz VZDUDTQHHXJRNA-ZNMIVQPWSA-N 2 0 294.443 1.397 10 0 CDAERP C[NH+](C)CCCC[NH2+]Cc1cnnn1Cc1ccccc1 ZINC000291977517 198123117 /nfs/dbraw/zinc/12/31/17/198123117.db2.gz RITLFJODONSRGA-UHFFFAOYSA-N 2 0 287.411 1.758 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CC2([NH+](C)C)CCC2)C1 ZINC000189965834 363115602 /nfs/dbraw/zinc/11/56/02/363115602.db2.gz LJSMQFPXQXJTIA-CQSZACIVSA-N 2 0 296.459 1.596 10 0 CDAERP c1cc(N[C@@H]2CCC[NH2+]CC2)ncc1N1CC[NH2+]CC1 ZINC000333816803 363170780 /nfs/dbraw/zinc/17/07/80/363170780.db2.gz KGTXUDVTHNSMQB-CYBMUJFWSA-N 2 0 275.400 1.045 10 0 CDAERP O=C(NC1CC[NH+](C2CC2)CC1)N[C@@H]1CCCC[NH2+]C1 ZINC000333904548 363214912 /nfs/dbraw/zinc/21/49/12/363214912.db2.gz JLXRTQKAGQYAJN-CYBMUJFWSA-N 2 0 280.416 1.055 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1cnc2ccc(C)cn12 ZINC000629654230 363255965 /nfs/dbraw/zinc/25/59/65/363255965.db2.gz OCIKSBAKIYTGBI-UHFFFAOYSA-N 2 0 276.384 1.311 10 0 CDAERP C[C@H]1C[C@@H](C[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)CC[NH2+]1 ZINC000629661032 363315752 /nfs/dbraw/zinc/31/57/52/363315752.db2.gz AKCTYQHGSZDNSY-ZQDZILKHSA-N 2 0 252.402 1.469 10 0 CDAERP CCCN(C(=O)C[NH+](CC)CC)C1CC[NH2+]CC1 ZINC000236789479 282995135 /nfs/dbraw/zinc/99/51/35/282995135.db2.gz VDSNNWXTFIHJNR-UHFFFAOYSA-N 2 0 255.406 1.319 10 0 CDAERP COc1cc(C[NH2+]C[C@@H]2CCCN2C)cc2c1OCCO2 ZINC000221151417 356198582 /nfs/dbraw/zinc/19/85/82/356198582.db2.gz GYXWIJMDOQJELJ-ZDUSSCGKSA-N 2 0 292.379 1.650 10 0 CDAERP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC000636095908 363503528 /nfs/dbraw/zinc/50/35/28/363503528.db2.gz BIMSFUSTGNQMBI-FRRDWIJNSA-N 2 0 283.460 1.998 10 0 CDAERP CC(C)[C@H](C[NH3+])CCNc1ccnn1C1C[NH2+]C1 ZINC000725258441 538452926 /nfs/dbraw/zinc/45/29/26/538452926.db2.gz PGFJUMQYAFFAOV-NSHDSACASA-N 2 0 251.378 1.060 10 0 CDAERP c1cc(NCCC[NH2+]Cc2ccccc2)n(C2C[NH2+]C2)n1 ZINC000725258746 538453132 /nfs/dbraw/zinc/45/31/32/538453132.db2.gz YSCBBYAHBOOZCZ-UHFFFAOYSA-N 2 0 285.395 1.619 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2ccncc2)CC1 ZINC000022926516 356623920 /nfs/dbraw/zinc/62/39/20/356623920.db2.gz PZJPTHPHWYPBQZ-QGZVFWFLSA-N 2 0 288.439 1.684 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1 ZINC001660401796 1172210387 /nfs/dbraw/zinc/21/03/87/1172210387.db2.gz DNSPZGYPBAMXGL-BQJWPVKWSA-N 2 0 278.440 1.832 10 0 CDAERP C[C@H]([NH2+]C[C@H](c1ccco1)N(C)C)[C@H]1CCC[NH2+]C1 ZINC000564825376 357277871 /nfs/dbraw/zinc/27/78/71/357277871.db2.gz AIRDSFXCURKYNI-MELADBBJSA-N 2 0 265.401 1.860 10 0 CDAERP CCN(CC)[C@H](CNC1=[NH+]CCN1)c1cccc(OC)c1 ZINC000058405024 357400513 /nfs/dbraw/zinc/40/05/13/357400513.db2.gz WTHGWRSYZKRBIR-OAHLLOKOSA-N 2 0 290.411 1.627 10 0 CDAERP Cc1nc(CC[NH3+])cc(NCC[C@H]2CCC[N@H+]2C)n1 ZINC000067447278 357608816 /nfs/dbraw/zinc/60/88/16/357608816.db2.gz YIMXJTUUSMTJMG-CYBMUJFWSA-N 2 0 263.389 1.182 10 0 CDAERP CCC[NH+]1CCC([N@H+](C)C[C@@H](OC)[C@@H]2CCOC2)CC1 ZINC000659983949 412660783 /nfs/dbraw/zinc/66/07/83/412660783.db2.gz YWKNZVPWSWSIAQ-GDBMZVCRSA-N 2 0 284.444 1.844 10 0 CDAERP CNC(=O)C[C@H]([NH2+][C@H](C)CCCC[NH3+])c1ccccc1 ZINC000423093396 283339571 /nfs/dbraw/zinc/33/95/71/283339571.db2.gz HIPNNRUYCBTPAN-HIFRSBDPSA-N 2 0 277.412 1.971 10 0 CDAERP CC[N@@H+](CC=C(C)C)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001660614488 1172244534 /nfs/dbraw/zinc/24/45/34/1172244534.db2.gz WKSSTFVNKYCOBU-UHFFFAOYSA-N 2 0 293.455 1.877 10 0 CDAERP C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000020217849 358389137 /nfs/dbraw/zinc/38/91/37/358389137.db2.gz CRSPHNDXFAOJLO-IHRRRGAJSA-N 2 0 265.401 1.071 10 0 CDAERP CCCCOC[C@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000195178457 358416010 /nfs/dbraw/zinc/41/60/10/358416010.db2.gz VCXSEYMLJGBKJZ-HZPDHXFCSA-N 2 0 284.444 1.582 10 0 CDAERP C[C@H](c1cccnc1)N1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261879638 359075740 /nfs/dbraw/zinc/07/57/40/359075740.db2.gz QSLISLGYRWFLEA-NVXWUHKLSA-N 2 0 288.439 1.760 10 0 CDAERP COc1cc(C)c(CN2CC[C@@]3(CC[NH2+]C3)C2)c(C)n1 ZINC000262014980 359123456 /nfs/dbraw/zinc/12/34/56/359123456.db2.gz MQKCLZHCBRBNID-MRXNPFEDSA-N 2 0 275.396 1.892 10 0 CDAERP C[NH2+]CCC(=O)N[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000262028719 359124285 /nfs/dbraw/zinc/12/42/85/359124285.db2.gz BGLDLZCPAVBSCU-LBPRGKRZSA-N 2 0 286.379 1.967 10 0 CDAERP O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262305839 359153700 /nfs/dbraw/zinc/15/37/00/359153700.db2.gz CFMFBLRVKUXBNO-LJIGWXMPSA-N 2 0 291.439 1.509 10 0 CDAERP C[C@@H]1CC[C@H](O)C[N@@H+]1C[C@@H](O)CN(C)Cc1ccccc1 ZINC000643254938 359244776 /nfs/dbraw/zinc/24/47/76/359244776.db2.gz SCSNAGOXALZLIV-PVAVHDDUSA-N 2 0 292.423 1.325 10 0 CDAERP C[C@H]([NH2+]CCOc1ccc(F)cc1F)C1C[NH2+]C1 ZINC000422817088 359659714 /nfs/dbraw/zinc/65/97/14/359659714.db2.gz GQOPKOWZHTZNDC-VIFPVBQESA-N 2 0 256.296 1.541 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCN[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422774495 359656605 /nfs/dbraw/zinc/65/66/05/359656605.db2.gz XEZPSHPFIYROSC-PVAVHDDUSA-N 3 0 295.471 1.608 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422854088 359662147 /nfs/dbraw/zinc/66/21/47/359662147.db2.gz CNPQDCBCFNMBQN-WCXIOVBPSA-N 2 0 295.471 1.608 10 0 CDAERP C[C@H](CN[C@@H](C1CC1)[C@H]1C[NH2+]CCO1)[N@@H+]1CCCC[C@H]1C ZINC000422857836 359662991 /nfs/dbraw/zinc/66/29/91/359662991.db2.gz IDUJRSQWXVCCIB-SRABZTEZSA-N 2 0 295.471 1.606 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCOc1ccc(Cl)cn1 ZINC000422930748 359682756 /nfs/dbraw/zinc/68/27/56/359682756.db2.gz VTHDIVPPUAGEFP-GFCCVEGCSA-N 2 0 287.791 1.457 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CC(C)(C)[C@H](O)C(C)C ZINC000423002525 359709918 /nfs/dbraw/zinc/70/99/18/359709918.db2.gz JKQDGOIYQGVCFC-QWHCGFSZSA-N 2 0 260.422 1.373 10 0 CDAERP C1CC1[C@H](NC1CC([NH+]2CCCCC2)C1)[C@@H]1C[NH2+]CCO1 ZINC000423104179 359750128 /nfs/dbraw/zinc/75/01/28/359750128.db2.gz XYWHXXIJNDQQMR-GQGLESIBSA-N 2 0 293.455 1.360 10 0 CDAERP C[C@@H]1C[C@@H]([N@H+](C)CCc2cnn(C)c2)CCN1C ZINC000336708718 359751544 /nfs/dbraw/zinc/75/15/44/359751544.db2.gz LMXNHFORCGZHQV-OCCSQVGLSA-N 2 0 250.390 1.377 10 0 CDAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1COCC1(C)C ZINC000423150327 359753400 /nfs/dbraw/zinc/75/34/00/359753400.db2.gz BOPZFAOQYCMNPT-SMDDNHRTSA-N 2 0 263.385 1.924 10 0 CDAERP C(C[NH2+][C@H]1CCC[C@H]([C@H]2CCOC2)C1)CN1CC[NH2+]CC1 ZINC000423194737 359757503 /nfs/dbraw/zinc/75/75/03/359757503.db2.gz YMNHYHKSFFPCFM-ULQDDVLXSA-N 2 0 295.471 1.467 10 0 CDAERP OC1(C[NH+]2CCC(C[NH+]3CCCC3)CC2)CCC1 ZINC000336727860 359788242 /nfs/dbraw/zinc/78/82/42/359788242.db2.gz MJGJBNZHYOPQEA-UHFFFAOYSA-N 2 0 252.402 1.709 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000356826553 366576296 /nfs/dbraw/zinc/57/62/96/366576296.db2.gz OLMUNHNEHDIFQM-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2C[NH3+])[C@H]1n1cccn1 ZINC000643491451 359942457 /nfs/dbraw/zinc/94/24/57/359942457.db2.gz CCKZPJHYEXKLJO-UXXRCYHCSA-N 2 0 278.400 1.319 10 0 CDAERP CN1CC[C@H](C[NH2+]C2CC[NH+](C(C)(C)C)CC2)CC1=O ZINC000424334075 360011066 /nfs/dbraw/zinc/01/10/66/360011066.db2.gz WJCJLIFVMZKGHJ-ZDUSSCGKSA-N 2 0 281.444 1.707 10 0 CDAERP CCC[C@@H]([NH3+])C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000037770618 283525744 /nfs/dbraw/zinc/52/57/44/283525744.db2.gz YXSSACSDJKDZJM-GFCCVEGCSA-N 2 0 255.406 1.493 10 0 CDAERP CCSCC[NH2+]CCCC[NH+]1CCN(CC)CC1 ZINC000355757604 360187213 /nfs/dbraw/zinc/18/72/13/360187213.db2.gz UBNNAXHECRURLX-UHFFFAOYSA-N 2 0 273.490 1.747 10 0 CDAERP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000335494585 360264556 /nfs/dbraw/zinc/26/45/56/360264556.db2.gz AQOBWQOLBLYRCP-KGLIPLIRSA-N 2 0 281.444 1.565 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH2+]CCNC(=O)c2ccccc2)[C@H](C)C1 ZINC000178020906 189086151 /nfs/dbraw/zinc/08/61/51/189086151.db2.gz RFJJPMBBHLABLI-GDBMZVCRSA-N 2 0 289.423 1.736 10 0 CDAERP CN(C)c1ncccc1CNC(=O)CCn1ccnc1 ZINC000337996746 360607594 /nfs/dbraw/zinc/60/75/94/360607594.db2.gz KLXXPANCPHVEIR-UHFFFAOYSA-N 2 0 273.340 1.051 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCC[NH+](CC)CC ZINC000626918694 360633184 /nfs/dbraw/zinc/63/31/84/360633184.db2.gz IAOHXAFFDVZFIC-QWHCGFSZSA-N 2 0 270.421 1.158 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccncc2C)C1 ZINC000348842750 360633730 /nfs/dbraw/zinc/63/37/30/360633730.db2.gz AYFBOJASOZBNAH-GFCCVEGCSA-N 2 0 262.357 1.275 10 0 CDAERP COc1cc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cc(OC)c1 ZINC000635000384 360640943 /nfs/dbraw/zinc/64/09/43/360640943.db2.gz NDLIHSIQAHILBZ-YPMHNXCESA-N 2 0 264.369 1.730 10 0 CDAERP OCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180173400 189241487 /nfs/dbraw/zinc/24/14/87/189241487.db2.gz NZAGYNYINKJBFB-MQVJKMGUSA-N 2 0 260.381 1.764 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[NH+](C(C)C)CC1 ZINC000350780525 361167746 /nfs/dbraw/zinc/16/77/46/361167746.db2.gz DIOKPPLLQWOIIQ-CQSZACIVSA-N 2 0 284.448 1.452 10 0 CDAERP C[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)[C@H]1CCOC1 ZINC000166354252 364337239 /nfs/dbraw/zinc/33/72/39/364337239.db2.gz DHEDXFQKDAKBNR-WFASDCNBSA-N 2 0 260.381 1.847 10 0 CDAERP O=C(C[NH2+]CC1CC1)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000167775585 364361043 /nfs/dbraw/zinc/36/10/43/364361043.db2.gz VDCUJXIDNMZQPB-OAHLLOKOSA-N 2 0 279.428 1.463 10 0 CDAERP C[C@H]1C[C@@H](NC(=O)N(C)CCC[NH+](C)C)C[N@@H+]1C1CC1 ZINC000186414952 364578551 /nfs/dbraw/zinc/57/85/51/364578551.db2.gz TUYUNSBNZCFEIA-QWHCGFSZSA-N 2 0 282.432 1.205 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000105148526 364692244 /nfs/dbraw/zinc/69/22/44/364692244.db2.gz OHYACJBXRVPBDO-GJZGRUSLSA-N 2 0 298.475 1.698 10 0 CDAERP COC[C@H](C)C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000187774682 364822210 /nfs/dbraw/zinc/82/22/10/364822210.db2.gz NKGOJNKDYOFOLK-CQSZACIVSA-N 2 0 283.460 1.417 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)[C@@H]2CCC[C@H]21 ZINC000643349448 364846680 /nfs/dbraw/zinc/84/66/80/364846680.db2.gz LINNONPRDSZRFO-UVPYHEFZSA-N 2 0 293.455 1.741 10 0 CDAERP C[NH2+]C[C@H]1CCCN(C(=O)NCC[N@H+]2CC=C(C)CC2)C1 ZINC000418035967 364925450 /nfs/dbraw/zinc/92/54/50/364925450.db2.gz YPURCIGHMDSAIY-OAHLLOKOSA-N 2 0 294.443 1.279 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC=C(C)C)C1 ZINC001661038496 1172325532 /nfs/dbraw/zinc/32/55/32/1172325532.db2.gz MQLCFGZYXNYFIE-AWEZNQCLSA-N 2 0 267.417 1.485 10 0 CDAERP C[N@H+]1C[C@@H](C(=O)Nc2ccccc2)[C@H](C2CC[NH2+]CC2)C1 ZINC000169676318 365044798 /nfs/dbraw/zinc/04/47/98/365044798.db2.gz MDIBIFDHTFEEPA-JKSUJKDBSA-N 2 0 287.407 1.803 10 0 CDAERP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353528063 365279775 /nfs/dbraw/zinc/27/97/75/365279775.db2.gz FZTYEYREDQKFGM-VQJWOFKYSA-N 2 0 254.418 1.856 10 0 CDAERP C[C@H](CC1CCCCC1)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000516563538 366869540 /nfs/dbraw/zinc/86/95/40/366869540.db2.gz KKAFXDQMPSJGNW-WBVHZDCISA-N 2 0 297.487 1.543 10 0 CDAERP C[C@H]([NH2+]C[C@H]1COc2ccccc2O1)[C@@H]1CC[NH2+]C1 ZINC000400732724 366972368 /nfs/dbraw/zinc/97/23/68/366972368.db2.gz RCDIKRSEGKBPPK-XQQFMLRXSA-N 2 0 262.353 1.414 10 0 CDAERP CC[N@@H+](Cc1cn(C)nn1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414736909 241356937 /nfs/dbraw/zinc/35/69/37/241356937.db2.gz GWOPKOREICDWPH-NEPJUHHUSA-N 2 0 251.378 1.025 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000626992216 367189095 /nfs/dbraw/zinc/18/90/95/367189095.db2.gz QZNFGLHTIIKDKH-QWHCGFSZSA-N 2 0 270.421 1.158 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000627041059 367284788 /nfs/dbraw/zinc/28/47/88/367284788.db2.gz HAJNBNUVZYXUCX-MELADBBJSA-N 2 0 284.448 1.547 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)NCC[C@H]2CCC[N@H+](C)C2)C[NH2+]1 ZINC000627060201 367317178 /nfs/dbraw/zinc/31/71/78/367317178.db2.gz HHVYWZJRVIHGRW-MGPQQGTHSA-N 2 0 282.432 1.158 10 0 CDAERP CCCN(CC[NH+](CC)CC)C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000627163951 367595334 /nfs/dbraw/zinc/59/53/34/367595334.db2.gz ZJCBAELFIBMKNE-LSDHHAIUSA-N 2 0 298.475 1.890 10 0 CDAERP C[C@@H]1CCC[N@H+](CCCCNC(=O)NCCC[NH3+])C1 ZINC000417046189 242290237 /nfs/dbraw/zinc/29/02/37/242290237.db2.gz PDULMDTZSCSQKN-CYBMUJFWSA-N 2 0 270.421 1.147 10 0 CDAERP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCCC[NH3+])C1 ZINC000417215921 242361008 /nfs/dbraw/zinc/36/10/08/242361008.db2.gz ACCPLZCPSCJSHW-DZGCQCFKSA-N 2 0 290.411 1.470 10 0 CDAERP Cn1c2ccc(C[NH2+]C[C@H]3CCC[NH2+]C3)cc2sc1=O ZINC000414858302 367737033 /nfs/dbraw/zinc/73/70/33/367737033.db2.gz RFFGENOMWUPTRJ-LBPRGKRZSA-N 2 0 291.420 1.689 10 0 CDAERP C[NH2+]CCC[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000414859722 367755764 /nfs/dbraw/zinc/75/57/64/367755764.db2.gz NJBVSIMKFZKDQF-UHFFFAOYSA-N 2 0 250.371 1.633 10 0 CDAERP CC(C)C[C@H](CNC(=O)C1=CC[C@H]([NH3+])C1)[NH+](C)C ZINC000638058985 367891415 /nfs/dbraw/zinc/89/14/15/367891415.db2.gz DEPCKVLDRSYFKG-QWHCGFSZSA-N 2 0 253.390 1.126 10 0 CDAERP O=C(CCC1C[NH2+]C1)N1CC[NH+](C2CCCC2)CC1 ZINC000638060303 367903371 /nfs/dbraw/zinc/90/33/71/367903371.db2.gz SNMSMNDIDOTODT-UHFFFAOYSA-N 2 0 265.401 1.073 10 0 CDAERP CC(C)[N@H+](C)CC1CCN(C(=O)CCC2C[NH2+]C2)CC1 ZINC000638076314 368085671 /nfs/dbraw/zinc/08/56/71/368085671.db2.gz KGGQENFOWXLWEJ-UHFFFAOYSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H](C[NH+](C)C)NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000360183564 368164708 /nfs/dbraw/zinc/16/47/08/368164708.db2.gz FBBVIQNHLQTHEG-STQMWFEESA-N 2 0 255.406 1.317 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)C[C@H]1C ZINC000418541381 243195435 /nfs/dbraw/zinc/19/54/35/243195435.db2.gz DTAVZLJAOCAOPM-LJISPDSOSA-N 2 0 296.459 1.499 10 0 CDAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000418584173 243240064 /nfs/dbraw/zinc/24/00/64/243240064.db2.gz BWTOFVKHEJCJBU-ZFWWWQNUSA-N 2 0 290.411 1.155 10 0 CDAERP CC[NH2+][C@H](C)CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000418603513 243265430 /nfs/dbraw/zinc/26/54/30/243265430.db2.gz OSQKNYJWFGFIDO-AGIUHOORSA-N 2 0 270.421 1.109 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)CCCC[NH3+])[C@@H](C)C1 ZINC000418668661 243326618 /nfs/dbraw/zinc/32/66/18/243326618.db2.gz GVFFROPLNGAOFY-ZNMIVQPWSA-N 2 0 298.475 1.876 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000418719476 243373402 /nfs/dbraw/zinc/37/34/02/243373402.db2.gz JEIGSGCASQNZNE-RYUDHWBXSA-N 2 0 270.421 1.238 10 0 CDAERP CN(CCC(=O)N1CCC[C@@H]([NH+](C)C)C1)c1cc[nH+]cc1 ZINC000542785461 368821836 /nfs/dbraw/zinc/82/18/36/368821836.db2.gz SWNJQSHJXSAPHV-OAHLLOKOSA-N 2 0 290.411 1.461 10 0 CDAERP C[C@H]1CC[N@H+](CCNC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC000543712534 368955337 /nfs/dbraw/zinc/95/53/37/368955337.db2.gz AZPBZYCJTXJPID-AWEZNQCLSA-N 2 0 290.411 1.366 10 0 CDAERP C[N@H+](CC[C@H]1CC[NH2+]C1)[C@H]1CCN(c2ccccc2)C1=O ZINC000420310964 244062057 /nfs/dbraw/zinc/06/20/57/244062057.db2.gz VMLXTGXMMWMBAM-ZBFHGGJFSA-N 2 0 287.407 1.723 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@H]2CC)CC1 ZINC000630543410 369208195 /nfs/dbraw/zinc/20/81/95/369208195.db2.gz QMMMNYYIJXDVIB-CABCVRRESA-N 2 0 281.444 1.707 10 0 CDAERP CC1=CC[NH+](CCNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000545858786 369266481 /nfs/dbraw/zinc/26/64/81/369266481.db2.gz ZPKFNWZKPNQUJR-HNNXBMFYSA-N 2 0 294.443 1.279 10 0 CDAERP C[N@@H+]1CC[C@@H](NC(=O)CCc2ncc[nH]2)[C@@H]1c1ccccc1 ZINC000287667109 369272609 /nfs/dbraw/zinc/27/26/09/369272609.db2.gz KNWKURZTACOUFW-PBHICJAKSA-N 2 0 298.390 1.904 10 0 CDAERP CCn1nccc1CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000370185607 369976591 /nfs/dbraw/zinc/97/65/91/369976591.db2.gz RDQYIIPJLLSBGV-HOCLYGCPSA-N 2 0 276.428 1.862 10 0 CDAERP CN(C)c1nccc(N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)n1 ZINC000252856780 370211023 /nfs/dbraw/zinc/21/10/23/370211023.db2.gz KYWFAFHCVOUDRL-SRVKXCTJSA-N 2 0 261.373 1.106 10 0 CDAERP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NCc1ccc2c(c1)C[NH2+]CC2 ZINC000565095857 370350809 /nfs/dbraw/zinc/35/08/09/370350809.db2.gz WZERSOYTSKYFBX-IGCXYCKISA-N 3 0 273.424 1.808 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC000565179124 370372858 /nfs/dbraw/zinc/37/28/58/370372858.db2.gz DTXXGYGKYBSICA-OAHLLOKOSA-N 2 0 293.455 1.805 10 0 CDAERP CC[C@H](C)NC(=O)[C@@H](C)N1CCC2(CC[NH2+]2)CC1 ZINC000422639239 245147685 /nfs/dbraw/zinc/14/76/85/245147685.db2.gz SLDGOQPQCQYJJZ-NWDGAFQWSA-N 2 0 253.390 1.118 10 0 CDAERP C[C@@H](CNC(=O)NCCC1(C[NH3+])CC1)C[NH+]1CCCC1 ZINC000652133555 412785360 /nfs/dbraw/zinc/78/53/60/412785360.db2.gz TWVRGCDKERFXBA-ZDUSSCGKSA-N 2 0 282.432 1.147 10 0 CDAERP CC[C@@H](C(=O)N(C)C[C@@H]1CCC[N@@H+]1CC)[NH+](C)C ZINC000121767570 370637633 /nfs/dbraw/zinc/63/76/33/370637633.db2.gz WMMYFZQYGRIAQF-STQMWFEESA-N 2 0 255.406 1.269 10 0 CDAERP C[C@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)C1C[NH2+]C1 ZINC000422760161 245222709 /nfs/dbraw/zinc/22/27/09/245222709.db2.gz GFZVBDGKFDACRX-AWEZNQCLSA-N 2 0 289.423 1.216 10 0 CDAERP O=C(NCCC[NH+]1CCCCC1)N1CC[NH+]2CCC1CC2 ZINC000376809219 371346104 /nfs/dbraw/zinc/34/61/04/371346104.db2.gz SZTKZPNBBDTQQU-UHFFFAOYSA-N 2 0 294.443 1.352 10 0 CDAERP CC(C)OC[C@@H](O)C[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000573596004 371594392 /nfs/dbraw/zinc/59/43/92/371594392.db2.gz NWVCUZAFLWNKGS-HOTGVXAUSA-N 2 0 286.460 1.874 10 0 CDAERP CCOCC[C@@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000580888998 372730490 /nfs/dbraw/zinc/73/04/90/372730490.db2.gz ULFOZHMNHKHQNW-JALIKCBVSA-N 2 0 270.417 1.379 10 0 CDAERP C[NH+](C)C1CC([NH2+]C2CCN(Cc3ccccn3)CC2)C1 ZINC000581143560 372851832 /nfs/dbraw/zinc/85/18/32/372851832.db2.gz XAGPHRKUXPQDBR-UHFFFAOYSA-N 2 0 288.439 1.728 10 0 CDAERP COC(=O)[C@]1(C)CCCN(C[C@H]([NH3+])CC(C)C)C1 ZINC000415141450 372858006 /nfs/dbraw/zinc/85/80/06/372858006.db2.gz PHVRZZSAYDHPLK-TZMCWYRMSA-N 2 0 256.390 1.635 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH2+]CCc2c(C)nn(C)c2C)[C@H](C)C1 ZINC000177745036 372891490 /nfs/dbraw/zinc/89/14/90/372891490.db2.gz ABWFROBHLRQRKX-MLGOLLRUSA-N 2 0 278.444 1.899 10 0 CDAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000333353882 205244238 /nfs/dbraw/zinc/24/42/38/205244238.db2.gz JZWVRVFPIYUQBP-MGPQQGTHSA-N 2 0 282.432 1.014 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000333358056 205249200 /nfs/dbraw/zinc/24/92/00/205249200.db2.gz KPAYQJNYJZNDEY-SOUVJXGZSA-N 2 0 296.459 1.676 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000333446210 205327758 /nfs/dbraw/zinc/32/77/58/205327758.db2.gz WWLBDXALRWPJLX-KFWWJZLASA-N 2 0 296.459 1.547 10 0 CDAERP CSCCC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182576866 373024089 /nfs/dbraw/zinc/02/40/89/373024089.db2.gz ANCAQFULPSASLP-XYPWUTKMSA-N 2 0 297.512 1.982 10 0 CDAERP C[C@H]1[NH2+]CCC[C@@H]1C(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000384255650 373169511 /nfs/dbraw/zinc/16/95/11/373169511.db2.gz OFQHMANPMAQYOA-HIFRSBDPSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062942887 373205689 /nfs/dbraw/zinc/20/56/89/373205689.db2.gz PCMTWLVEDHISJU-YNEHKIRRSA-N 2 0 253.390 1.057 10 0 CDAERP C[C@@H](CC(=O)N[C@H]1CCC[N@H+](C)C1)C1CC[NH2+]CC1 ZINC000645685224 373237106 /nfs/dbraw/zinc/23/71/06/373237106.db2.gz WGIVFNGWRVGTMO-JSGCOSHPSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)C[NH+](C)C ZINC000341326156 373551219 /nfs/dbraw/zinc/55/12/19/373551219.db2.gz WFOZWKVMTCBZRG-CQSZACIVSA-N 2 0 283.460 1.812 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000220092958 373889740 /nfs/dbraw/zinc/88/97/40/373889740.db2.gz LLRIMYRDOLAJQP-OLZOCXBDSA-N 2 0 255.406 1.223 10 0 CDAERP C[C@@H]1C[N@H+](CCOc2ccccc2F)C[C@@H]1C[NH3+] ZINC000631843854 373900148 /nfs/dbraw/zinc/90/01/48/373900148.db2.gz SKLGZHLRTKRPHH-NEPJUHHUSA-N 2 0 252.333 1.731 10 0 CDAERP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCCC1(C[NH3+])CC1 ZINC000652232349 541924491 /nfs/dbraw/zinc/92/44/91/541924491.db2.gz XXEATBDLCYRGBR-LBPRGKRZSA-N 2 0 270.421 1.130 10 0 CDAERP CC[C@H]([NH3+])CNC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000418697573 374481731 /nfs/dbraw/zinc/48/17/31/374481731.db2.gz LXCFLSRJGKLPOB-FRRDWIJNSA-N 2 0 270.421 1.095 10 0 CDAERP CCN(CC)C(=O)C1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000262142854 284465498 /nfs/dbraw/zinc/46/54/98/284465498.db2.gz ZGMYCVJBFVOLGZ-MRXNPFEDSA-N 2 0 281.444 1.566 10 0 CDAERP CCCC[N@H+](C)CC1CC[NH+](C[C@@H](O)COC)CC1 ZINC000126233806 374987620 /nfs/dbraw/zinc/98/76/20/374987620.db2.gz ARKCOMZHFAHNSL-OAHLLOKOSA-N 2 0 272.433 1.438 10 0 CDAERP C[NH+]1CCC(C(=O)N2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000638815264 374993460 /nfs/dbraw/zinc/99/34/60/374993460.db2.gz CGGDVWOGWKXJAA-CYBMUJFWSA-N 2 0 253.390 1.058 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000417001756 375713053 /nfs/dbraw/zinc/71/30/53/375713053.db2.gz FMBPKIOBZYUQAC-GFCCVEGCSA-N 2 0 270.421 1.110 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@H](C)CC[NH+](C)C)cc1 ZINC000417305400 375756751 /nfs/dbraw/zinc/75/67/51/375756751.db2.gz ASTOFFHCOZCYKE-CHWSQXEVSA-N 2 0 292.427 1.846 10 0 CDAERP Nc1ccc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)[nH+]c1N ZINC000306735145 375790561 /nfs/dbraw/zinc/79/05/61/375790561.db2.gz VSJKMTGHRNFRRF-ZDUSSCGKSA-N 2 0 283.379 1.932 10 0 CDAERP CC[NH+](CC)CCCN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420356373 376335173 /nfs/dbraw/zinc/33/51/73/376335173.db2.gz CRYLDVLMYQGJJV-HNNXBMFYSA-N 3 0 253.434 1.794 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@H]2C[C@H](C)CC[NH2+]2)CC1 ZINC000638981323 376339340 /nfs/dbraw/zinc/33/93/40/376339340.db2.gz RBMBBTVYFHCDQK-ZIAGYGMSSA-N 2 0 281.444 1.707 10 0 CDAERP [NH3+]CCC1CC[NH+]([C@H]2CCN(C3CCC3)C2=O)CC1 ZINC000631829493 376667894 /nfs/dbraw/zinc/66/78/94/376667894.db2.gz RQUXTYXKFCIKQI-AWEZNQCLSA-N 2 0 265.401 1.201 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000066531546 376665846 /nfs/dbraw/zinc/66/58/46/376665846.db2.gz KROZQEARCRVZIN-OKILXGFUSA-N 2 0 293.455 1.992 10 0 CDAERP C[C@@H]1C[N@H+](CCc2nc3ccccc3n2C)C[C@H]1C[NH3+] ZINC000631840547 376694092 /nfs/dbraw/zinc/69/40/92/376694092.db2.gz TXVLKGVMQDHXQT-CHWSQXEVSA-N 2 0 272.396 1.642 10 0 CDAERP Cc1cc(C[C@H](C)[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)[nH]n1 ZINC000246519647 376936635 /nfs/dbraw/zinc/93/66/35/376936635.db2.gz UOOFNIJGGGTIDS-REJLFOLJSA-N 2 0 264.417 1.967 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000246891155 377010841 /nfs/dbraw/zinc/01/08/41/377010841.db2.gz FCDWJQBJLKOPDC-KKUMJFAQSA-N 2 0 296.459 1.643 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)c1c[nH+]ccc1N ZINC000127473260 377109549 /nfs/dbraw/zinc/10/95/49/377109549.db2.gz ANLRCRLBMZMMSD-JTQLQIEISA-N 2 0 250.346 1.124 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@H]1CN1CCOCC1 ZINC000247451587 377121720 /nfs/dbraw/zinc/12/17/20/377121720.db2.gz ZLECETZDAXIKNU-SJORKVTESA-N 2 0 295.471 1.657 10 0 CDAERP CN(C)[C@@H](C[NH2+][C@H]1CCC[NH2+]CC1)c1ccco1 ZINC000128881362 377325379 /nfs/dbraw/zinc/32/53/79/377325379.db2.gz YPGXVZPHIJCRNO-STQMWFEESA-N 2 0 251.374 1.614 10 0 CDAERP O=C1C[C@H](c2ccccc2)[N@H+](C[C@@H]2CCC[NH2+]C2)CCN1 ZINC000335013494 377803525 /nfs/dbraw/zinc/80/35/25/377803525.db2.gz WYMSNVZECNXDCK-GDBMZVCRSA-N 2 0 287.407 1.549 10 0 CDAERP CCC[C@@H]1CN(C[C@]2(C)CC[NH2+]C2)CC[N@@H+]1CCOC ZINC000261699385 377889278 /nfs/dbraw/zinc/88/92/78/377889278.db2.gz CEORNVDRKICBED-HZPDHXFCSA-N 2 0 283.460 1.419 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N(C)CC(C)(C)C[NH3+] ZINC000417525759 377852677 /nfs/dbraw/zinc/85/26/77/377852677.db2.gz BNWOEMDLAKDSDS-OKILXGFUSA-N 2 0 298.475 1.876 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@@H+]1C ZINC000633040837 378064440 /nfs/dbraw/zinc/06/44/40/378064440.db2.gz KRQBCZTZPRLLJS-BLNMRFBMSA-N 2 0 293.455 1.800 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000193302713 378288818 /nfs/dbraw/zinc/28/88/18/378288818.db2.gz BJPZDOVZMSPYSB-KBPBESRZSA-N 2 0 267.417 1.591 10 0 CDAERP C[NH+](C)CCC[C@H]1C[N@H+](C[C@@H](O)C2CCCCC2)CCO1 ZINC000662323713 412893780 /nfs/dbraw/zinc/89/37/80/412893780.db2.gz PPBNWHBCSRVAAI-DLBZAZTESA-N 2 0 298.471 1.970 10 0 CDAERP CC(C)[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001662425540 1172548433 /nfs/dbraw/zinc/54/84/33/1172548433.db2.gz SEKCZVGMBSGJGF-KBPBESRZSA-N 2 0 269.433 1.610 10 0 CDAERP C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C[C@H]1CC1(C)C ZINC000662346969 412914352 /nfs/dbraw/zinc/91/43/52/412914352.db2.gz GXBICXFIJHLCJL-CYBMUJFWSA-N 2 0 293.455 1.707 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000417011945 284801076 /nfs/dbraw/zinc/80/10/76/284801076.db2.gz UMQVPPZDFYBRLB-MJBXVCDLSA-N 2 0 284.448 1.343 10 0 CDAERP CC(C)CC[NH2+]C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001662679954 1172579764 /nfs/dbraw/zinc/57/97/64/1172579764.db2.gz DVECLWOEPFKTOS-HNNXBMFYSA-N 2 0 295.471 1.812 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655925517 412943623 /nfs/dbraw/zinc/94/36/23/412943623.db2.gz CEHNWPMFUGGGHX-VHSXEESVSA-N 2 0 298.353 1.296 10 0 CDAERP CCc1cc(NC2CCN(CC[NH+](C)C)CC2)cc[nH+]1 ZINC000450251527 251192299 /nfs/dbraw/zinc/19/22/99/251192299.db2.gz VCVCRNJNMXOEKQ-UHFFFAOYSA-N 2 0 276.428 1.504 10 0 CDAERP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1(C(=O)OC)CC1 ZINC000450479953 251303366 /nfs/dbraw/zinc/30/33/66/251303366.db2.gz SASXPNILSCTCRJ-OLZOCXBDSA-N 2 0 266.385 1.498 10 0 CDAERP CCN(C(=O)NCC[NH+](CC)C1CC1)[C@H]1CC[N@H+](CC)C1 ZINC000663920027 412955858 /nfs/dbraw/zinc/95/58/58/412955858.db2.gz KQADXKVZUJTCGZ-HNNXBMFYSA-N 2 0 296.459 1.596 10 0 CDAERP CC1(C)CC[NH2+][C@H]1C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000662397605 412960044 /nfs/dbraw/zinc/96/00/44/412960044.db2.gz IKQWTVMZUWCXLL-AWEZNQCLSA-N 2 0 290.411 1.066 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000655967573 412968924 /nfs/dbraw/zinc/96/89/24/412968924.db2.gz XVUCVEKKEMHEQI-KWCYVHTRSA-N 2 0 282.432 1.143 10 0 CDAERP O=C1C[C@H]([C@H]2CCCC[N@@H+]2CCC[NH+]2CCCCC2)CN1 ZINC000372905318 296349052 /nfs/dbraw/zinc/34/90/52/296349052.db2.gz POGZBKHXLKCQPT-JKSUJKDBSA-N 2 0 293.455 1.853 10 0 CDAERP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655970222 412984173 /nfs/dbraw/zinc/98/41/73/412984173.db2.gz FDIORLCVDJGHEJ-YIYPIFLZSA-N 2 0 282.432 1.238 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NCCC[C@H]2CCC[NH+]2CCCF)C1 ZINC001663123467 1172637395 /nfs/dbraw/zinc/63/73/95/1172637395.db2.gz HDYVCHASDGFZPN-CABCVRRESA-N 2 0 299.434 1.659 10 0 CDAERP O[C@@H]1C[C@@H]([NH2+]Cc2cccc3nccn32)C12CCC2 ZINC000657708174 412992741 /nfs/dbraw/zinc/99/27/41/412992741.db2.gz XVVHOGJJBPPIRO-CHWSQXEVSA-N 2 0 257.337 1.727 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)NC[C@H](C)[NH+](C)C1CC1 ZINC000663999903 413006542 /nfs/dbraw/zinc/00/65/42/413006542.db2.gz VABYMTVEXXYXPI-ZDUSSCGKSA-N 2 0 298.475 1.889 10 0 CDAERP COC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)C(C)C ZINC000151320218 285237704 /nfs/dbraw/zinc/23/77/04/285237704.db2.gz VCZLZHDEOOHZDB-UONOGXRCSA-N 2 0 258.406 1.094 10 0 CDAERP CC(C)[NH2+]CC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000662450083 413031585 /nfs/dbraw/zinc/03/15/85/413031585.db2.gz FXOCQTXMZHMVLC-BETUJISGSA-N 2 0 255.406 1.364 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000646979434 390330636 /nfs/dbraw/zinc/33/06/36/390330636.db2.gz MVQMUUFREXJHGB-DOMZBBRYSA-N 2 0 275.396 1.476 10 0 CDAERP COC[C@H](CC(C)C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415051900 285371235 /nfs/dbraw/zinc/37/12/35/285371235.db2.gz JVWLLMWZVJSIOE-CGZBRXJRSA-N 2 0 297.487 1.854 10 0 CDAERP [NH3+][C@@H]1CN(C(=O)C[C@H]2CC[NH2+]C2)C[C@H]1c1cccc(F)c1 ZINC000647089578 390400339 /nfs/dbraw/zinc/40/03/39/390400339.db2.gz YQZYGRICBFVZSJ-BYCMXARLSA-N 2 0 291.370 1.078 10 0 CDAERP CCO[C@@H]1C[N@H+](C[C@H]2CCC(F)(F)C2)C[C@H]1C[NH3+] ZINC000405864746 390671621 /nfs/dbraw/zinc/67/16/21/390671621.db2.gz OXQIYKQKFQTQOP-QJPTWQEYSA-N 2 0 262.344 1.717 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)C[NH2+]C)[C@H](C)C1 ZINC000418370416 285388156 /nfs/dbraw/zinc/38/81/56/285388156.db2.gz WBOYOIGSERCXJK-MCIONIFRSA-N 2 0 284.448 1.214 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)C[C@@H]2CSCC[NH2+]2)CC[N@@H+]1C ZINC000237585478 390855968 /nfs/dbraw/zinc/85/59/68/390855968.db2.gz XWEPNJSGYNJUSJ-JHJVBQTASA-N 2 0 285.457 1.023 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)[C@]2(O)CCOC2)[C@H](C)C1 ZINC000647340301 390943233 /nfs/dbraw/zinc/94/32/33/390943233.db2.gz HIMTWQQUSNIRQV-YCPHGPKFSA-N 2 0 284.444 1.484 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N[C@@H]2CC[NH2+]C23CCCC3)o1 ZINC000648205478 390951567 /nfs/dbraw/zinc/95/15/67/390951567.db2.gz GGBWNEXJLREFIP-GFCCVEGCSA-N 2 0 263.341 1.143 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000181124043 390913875 /nfs/dbraw/zinc/91/38/75/390913875.db2.gz ACECXRBKBFDKHR-GJZGRUSLSA-N 2 0 253.434 1.887 10 0 CDAERP C[C@@]1(CN2CCC[N@H+](C[C@H]3CCCO3)CC2)CC[NH2+]C1 ZINC000647513980 390980644 /nfs/dbraw/zinc/98/06/44/390980644.db2.gz ZQYNXSDTAMSYKB-HZPDHXFCSA-N 2 0 281.444 1.173 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)C1 ZINC000647550931 390999160 /nfs/dbraw/zinc/99/91/60/390999160.db2.gz OVRNTLNMPREEHC-MRTXSQPYSA-N 2 0 250.386 1.532 10 0 CDAERP C[C@H](Cn1ccnc1)NC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000337367570 391128441 /nfs/dbraw/zinc/12/84/41/391128441.db2.gz MVJKGYVRNUPPMS-KGLIPLIRSA-N 2 0 293.415 1.445 10 0 CDAERP CN(CCC(=O)NCC[N@H+]1CC=CCC1)c1cc[nH+]cc1 ZINC000527018999 391249297 /nfs/dbraw/zinc/24/92/97/391249297.db2.gz BJMJKTBTCHLDDH-UHFFFAOYSA-N 2 0 288.395 1.286 10 0 CDAERP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CCN(CC(F)(F)F)C1 ZINC000532464553 391201504 /nfs/dbraw/zinc/20/15/04/391201504.db2.gz GFBNOUPVVLUQCX-MXWKQRLJSA-N 2 0 265.323 1.163 10 0 CDAERP CC(C)C[C@@H](CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C)[NH+](C)C ZINC000377588137 391262206 /nfs/dbraw/zinc/26/22/06/391262206.db2.gz OKRCPWYCRBRRTN-HZSPNIEDSA-N 2 0 269.433 1.467 10 0 CDAERP CC(C)C[C@@H]([NH3+])CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000414689899 391343864 /nfs/dbraw/zinc/34/38/64/391343864.db2.gz LZXGFGTZFRBQOL-CABCVRRESA-N 2 0 253.434 1.920 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000417322242 391351090 /nfs/dbraw/zinc/35/10/90/391351090.db2.gz FKSVFJDVXPFOKK-APIJFGDWSA-N 2 0 296.459 1.404 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000417327361 391352198 /nfs/dbraw/zinc/35/21/98/391352198.db2.gz LGXODURIBRXTIX-VOAKCMCISA-N 2 0 270.421 1.142 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000418351239 391363452 /nfs/dbraw/zinc/36/34/52/391363452.db2.gz RSYFBINXVGKJIW-LSDHHAIUSA-N 2 0 296.459 1.502 10 0 CDAERP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)C(C)(C)C)CC[C@@H]21 ZINC000220958409 391363941 /nfs/dbraw/zinc/36/39/41/391363941.db2.gz XAHRWOFQEHTWDH-HZSPNIEDSA-N 2 0 254.418 1.810 10 0 CDAERP [NH3+]CCN(Cc1ccccc1)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000648110252 391399996 /nfs/dbraw/zinc/39/99/96/391399996.db2.gz GRSNKVRQFBWPEY-CABCVRRESA-N 2 0 275.396 1.349 10 0 CDAERP CS[C@H]1CC[C@@H]1[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000425341043 391465909 /nfs/dbraw/zinc/46/59/09/391465909.db2.gz FMSHLOJLWRYOQS-STQMWFEESA-N 2 0 272.458 1.705 10 0 CDAERP COCCN1CC[C@H]([NH2+]CC[C@H]2CCCOC2)C1 ZINC000527740521 391510250 /nfs/dbraw/zinc/51/02/50/391510250.db2.gz VBOKJDKIISYHQS-KGLIPLIRSA-N 2 0 256.390 1.113 10 0 CDAERP OC[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cccnc1 ZINC000647796871 391648051 /nfs/dbraw/zinc/64/80/51/391648051.db2.gz QCVMYNSNGKNBML-LVQVYYBASA-N 2 0 275.396 1.135 10 0 CDAERP CC(C)n1ccc(C[C@@H](C)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)n1 ZINC000414935304 391657057 /nfs/dbraw/zinc/65/70/57/391657057.db2.gz FSQCYPMKNMSHPY-GZBFAFLISA-N 2 0 264.417 1.983 10 0 CDAERP c1nc(NC2CC2)cc(N2CCN(C3CC3)CC2)n1 ZINC000413080921 391678390 /nfs/dbraw/zinc/67/83/90/391678390.db2.gz DYWRUKKJVYWNCS-UHFFFAOYSA-N 2 0 259.357 1.335 10 0 CDAERP CCC[NH2+]CCNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000418134195 391759516 /nfs/dbraw/zinc/75/95/16/391759516.db2.gz OVWNWDSEWVALDV-UHFFFAOYSA-N 2 0 282.432 1.302 10 0 CDAERP CC[C@H](C(=O)NC[C@H]1CC[N@H+](CC)C1)[NH+](CC)CC ZINC000344082782 391895909 /nfs/dbraw/zinc/89/59/09/391895909.db2.gz XGMVBUMNXIFNMB-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000247198309 391896261 /nfs/dbraw/zinc/89/62/61/391896261.db2.gz ZUFBRAFRIVNNGP-HZPDHXFCSA-N 2 0 293.455 1.946 10 0 CDAERP CCC[N@H+](C)CC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000341411226 391959883 /nfs/dbraw/zinc/95/98/83/391959883.db2.gz XTTZKEHINVPIPC-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP C[C@]1(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)CC[NH2+]C1 ZINC000261994312 392030244 /nfs/dbraw/zinc/03/02/44/392030244.db2.gz KOUMLVSCGDJKID-CABCVRRESA-N 2 0 252.402 1.735 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000649372955 392125244 /nfs/dbraw/zinc/12/52/44/392125244.db2.gz LHIAWFFNDGOBCS-MJBXVCDLSA-N 2 0 279.428 1.650 10 0 CDAERP C[NH+]1CCC(C(=O)N[C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000649372620 392125379 /nfs/dbraw/zinc/12/53/79/392125379.db2.gz DQRSRMPUYOIGMY-CYBMUJFWSA-N 2 0 265.401 1.119 10 0 CDAERP CC[NH+](CC)CC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000646382324 392189805 /nfs/dbraw/zinc/18/98/05/392189805.db2.gz RGTMCXQXPLXTGD-CABCVRRESA-N 2 0 281.444 1.566 10 0 CDAERP CC[NH+](CC)CC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000646382325 392190350 /nfs/dbraw/zinc/19/03/50/392190350.db2.gz RGTMCXQXPLXTGD-GJZGRUSLSA-N 2 0 281.444 1.566 10 0 CDAERP [NH3+][C@H]1C[C@H]([NH2+]CCCN2CCCC2=O)c2ccccc21 ZINC000422758022 392257186 /nfs/dbraw/zinc/25/71/86/392257186.db2.gz DOTPYTBMUOGPAZ-GJZGRUSLSA-N 2 0 273.380 1.733 10 0 CDAERP CC[NH+](CC)[C@H](C)CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423082927 392329613 /nfs/dbraw/zinc/32/96/13/392329613.db2.gz FGQADKJULXIOIN-KLHDSHLOSA-N 2 0 283.460 1.463 10 0 CDAERP C[C@H](C[C@@H]1COCCN1)[NH2+]Cc1ccc2cc[nH]c2n1 ZINC000423131177 392369918 /nfs/dbraw/zinc/36/99/18/392369918.db2.gz ZMVTZTLGRMLSCS-BXUZGUMPSA-N 2 0 274.368 1.420 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000629528698 392384643 /nfs/dbraw/zinc/38/46/43/392384643.db2.gz HBTWPUATWPREPI-LLVKDONJSA-N 2 0 266.341 1.302 10 0 CDAERP [NH3+][C@H](CNC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000423252064 392470131 /nfs/dbraw/zinc/47/01/31/392470131.db2.gz SZUBTUVWVWHTDQ-MRXNPFEDSA-N 2 0 259.397 1.903 10 0 CDAERP COc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH3+])cc1NC(C)=O ZINC000423299178 392494763 /nfs/dbraw/zinc/49/47/63/392494763.db2.gz POAOHMSIHYXYLP-WDEREUQCSA-N 2 0 279.384 1.899 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+]CC1(O)Cc2ccccc2C1 ZINC000574069986 392506207 /nfs/dbraw/zinc/50/62/07/392506207.db2.gz RCNDRFYVDLSUTD-ZDUSSCGKSA-N 2 0 262.397 1.623 10 0 CDAERP C(CC[NH+]1CCOCC1)C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000449081262 392632720 /nfs/dbraw/zinc/63/27/20/392632720.db2.gz DDFZIVPQJMDFRR-HNNXBMFYSA-N 2 0 282.428 1.790 10 0 CDAERP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@H]2CCO[C@H](C)C2)CC1 ZINC000449743681 392894659 /nfs/dbraw/zinc/89/46/59/392894659.db2.gz AGZFZBLKUVFIBK-CVEARBPZSA-N 2 0 297.487 1.807 10 0 CDAERP Cc1ccc(O)c(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)n1 ZINC000268407008 132004446 /nfs/dbraw/zinc/00/44/46/132004446.db2.gz GAVWGVRZQRFKHM-UHFFFAOYSA-N 2 0 293.411 1.421 10 0 CDAERP COC[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268872523 132081431 /nfs/dbraw/zinc/08/14/31/132081431.db2.gz GLJANBQOMIUQIN-DJIMGWMZSA-N 2 0 292.423 1.494 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](CC)C2)[C@H]1SC ZINC000459395655 393136862 /nfs/dbraw/zinc/13/68/62/393136862.db2.gz UPOYHZQGNPPPSK-XJFOESAGSA-N 2 0 272.458 1.827 10 0 CDAERP COCCN1CCC[C@@H]1C[NH2+]C1CCC(NC(C)=O)CC1 ZINC000132843940 393142136 /nfs/dbraw/zinc/14/21/36/393142136.db2.gz FEWZMUMXPVORMT-UYSNPLJNSA-N 2 0 297.443 1.134 10 0 CDAERP CC(C)C[NH+]1CCC(NC(=O)N2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000170828054 393225357 /nfs/dbraw/zinc/22/53/57/393225357.db2.gz FEYDZXOZBYDGIB-OAHLLOKOSA-N 2 0 296.459 1.452 10 0 CDAERP COc1nccnc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459728901 393328710 /nfs/dbraw/zinc/32/87/10/393328710.db2.gz CVLXBERNFMROHR-LBPRGKRZSA-N 2 0 264.373 1.307 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)CC(C)(C)[NH3+] ZINC000645951187 393426719 /nfs/dbraw/zinc/42/67/19/393426719.db2.gz IGZXLDHGHMKEGV-TXEJJXNPSA-N 2 0 255.406 1.493 10 0 CDAERP C[C@H](C(=O)N(C[C@H]1CCC[NH2+]1)C1CC1)[NH+]1CCCCCC1 ZINC000186561983 140063777 /nfs/dbraw/zinc/06/37/77/140063777.db2.gz UBPHFPNMLBPSAQ-HUUCEWRRSA-N 2 0 293.455 1.994 10 0 CDAERP Cc1cc(C)c(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc1C ZINC000219687368 140166582 /nfs/dbraw/zinc/16/65/82/140166582.db2.gz VFFBRLBQYITFCX-UHFFFAOYSA-N 2 0 289.423 1.475 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H]1CCC[NH+](CC)C1 ZINC000245477653 140269273 /nfs/dbraw/zinc/26/92/73/140269273.db2.gz UQOBLKUJCDVEDZ-LSDHHAIUSA-N 2 0 296.459 1.596 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000249965886 140300933 /nfs/dbraw/zinc/30/09/33/140300933.db2.gz NSMTZHLJPVDKBQ-ZNMIVQPWSA-N 2 0 281.444 1.755 10 0 CDAERP COC(=O)[C@@H]1CC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000250578220 140304009 /nfs/dbraw/zinc/30/40/09/140304009.db2.gz FPPPQHKKOKJNJP-CHWSQXEVSA-N 2 0 254.374 1.356 10 0 CDAERP COc1ccc([C@@H]2CCN(Cc3noc(CN)n3)C2)cc1 ZINC000261713713 140378990 /nfs/dbraw/zinc/37/89/90/140378990.db2.gz KQWVQRDSKKSTRS-GFCCVEGCSA-N 2 0 288.351 1.526 10 0 CDAERP Cc1nc([C@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)no1 ZINC000261829039 140395292 /nfs/dbraw/zinc/39/52/92/140395292.db2.gz STVLWNNDSUDTBT-GFCCVEGCSA-N 2 0 250.346 1.515 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)N(CC)[C@H]1CC[NH+](CC)C1 ZINC000664096955 413078662 /nfs/dbraw/zinc/07/86/62/413078662.db2.gz WRQLXYXBUKVXQK-HNNXBMFYSA-N 2 0 298.475 1.844 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000097093521 147120183 /nfs/dbraw/zinc/12/01/83/147120183.db2.gz VAUJYCBAFKRVAT-QWHCGFSZSA-N 2 0 267.417 1.495 10 0 CDAERP CC(C)[N@H+](C)C[C@@H](O)CN1C[C@@H](C)O[C@H](C)[C@@H]1C ZINC000660373946 413086396 /nfs/dbraw/zinc/08/63/96/413086396.db2.gz FCYREZAYJJJBSX-XJFOESAGSA-N 2 0 258.406 1.185 10 0 CDAERP CO[C@H](CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1)C(F)(F)F ZINC000656198822 413094649 /nfs/dbraw/zinc/09/46/49/413094649.db2.gz ZOFWBHVRIDNMCY-IVZWLZJFSA-N 2 0 254.296 1.813 10 0 CDAERP CC[C@@H]([NH2+]C)C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000662577883 413145918 /nfs/dbraw/zinc/14/59/18/413145918.db2.gz FTUYJTAELXNBFQ-QLFBSQMISA-N 2 0 293.386 1.467 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC000656268548 413151097 /nfs/dbraw/zinc/15/10/97/413151097.db2.gz FJWZNYFYMQANIY-FQUUOJAGSA-N 2 0 288.457 1.272 10 0 CDAERP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)[C@@H]1CCOC1 ZINC000658073598 413174759 /nfs/dbraw/zinc/17/47/59/413174759.db2.gz YGNIRSCQZIWAFP-OXGONZEZSA-N 2 0 282.428 1.500 10 0 CDAERP CC(C)C[C@H]([NH3+])c1noc([C@@H]2CCC[NH2+]CC2)n1 ZINC000650226101 397795558 /nfs/dbraw/zinc/79/55/58/397795558.db2.gz AQSUCPCSZWSRFK-MNOVXSKESA-N 2 0 252.362 1.973 10 0 CDAERP C[NH+](C)C1(CNC(=O)C2CCC([NH3+])CC2)CCCCC1 ZINC000040803552 397900843 /nfs/dbraw/zinc/90/08/43/397900843.db2.gz OEDNJDHGKVSGED-UHFFFAOYSA-N 2 0 281.444 1.885 10 0 CDAERP [NH3+]C1CCC(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000037628379 398098258 /nfs/dbraw/zinc/09/82/58/398098258.db2.gz BUPSUEQOMKCCBZ-HOAMVYINSA-N 2 0 265.401 1.247 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000662622132 413210257 /nfs/dbraw/zinc/21/02/57/413210257.db2.gz PHFIKGOXMBQOBW-IUODEOHRSA-N 2 0 267.417 1.508 10 0 CDAERP CN(CC[NH2+]CC1CC(C)(C)C1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001664018404 1172802559 /nfs/dbraw/zinc/80/25/59/1172802559.db2.gz NMLPJCDGHUDVJL-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP CC1CC[NH+](CCCN[C@@H]2CCC[NH2+]CC2)CC1 ZINC000128909310 147609940 /nfs/dbraw/zinc/60/99/40/147609940.db2.gz WEEVYERKQSLZSI-OAHLLOKOSA-N 2 0 253.434 1.840 10 0 CDAERP COC[C@@H](C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)OC ZINC000660541197 413216869 /nfs/dbraw/zinc/21/68/69/413216869.db2.gz IOGRPZOSVVIYRR-QNMSZWNNSA-N 2 0 256.390 1.205 10 0 CDAERP CO[C@H](C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)[C@@H]1CCOC1 ZINC000660541973 413218306 /nfs/dbraw/zinc/21/83/06/413218306.db2.gz LLULZCCEPSVXPJ-WOFIAXNJSA-N 2 0 282.428 1.595 10 0 CDAERP C(CN1CCC[N@@H+](C2CC2)CC1)C[NH+]1CCCC1 ZINC000179247989 148101721 /nfs/dbraw/zinc/10/17/21/148101721.db2.gz XHZIAUQYABZBDK-UHFFFAOYSA-N 2 0 251.418 1.642 10 0 CDAERP CC[C@H](COC)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658135740 413225106 /nfs/dbraw/zinc/22/51/06/413225106.db2.gz AQPRTNCQJSRIJL-SJORKVTESA-N 2 0 292.423 1.768 10 0 CDAERP CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)CC1 ZINC000262013300 149000708 /nfs/dbraw/zinc/00/07/08/149000708.db2.gz VVHJXZXQAADADY-BBWFWOEESA-N 2 0 295.471 1.608 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH2+][C@@H](C)C2)[C@H](C)C1 ZINC000262407509 149059677 /nfs/dbraw/zinc/05/96/77/149059677.db2.gz RVWNZRZXLUHLOT-CBBWQLFWSA-N 2 0 281.444 1.563 10 0 CDAERP CC(C)(C)[N@@H+]1CCCN(C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000334926540 150091641 /nfs/dbraw/zinc/09/16/41/150091641.db2.gz DJERJVXFLVHKNR-AWEZNQCLSA-N 2 0 296.459 1.644 10 0 CDAERP C[C@H]1CCN(C(=O)c2ccc(C[NH3+])cc2)C[C@H]1C[NH3+] ZINC000334961871 150122231 /nfs/dbraw/zinc/12/22/31/150122231.db2.gz OTVGZRWDWZWLQG-SMDDNHRTSA-N 2 0 261.369 1.202 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC1CCC([NH+](C)C)CC1 ZINC000335003704 150173040 /nfs/dbraw/zinc/17/30/40/150173040.db2.gz DADCYOWUQSSZMZ-BLYZHGLHSA-N 2 0 282.432 1.156 10 0 CDAERP CC1(C)CN(C(=O)NC[C@@H]([NH3+])c2ccccc2)CC[NH2+]1 ZINC000335178863 150376674 /nfs/dbraw/zinc/37/66/74/150376674.db2.gz MRUFTAJSWORJIC-CYBMUJFWSA-N 2 0 276.384 1.080 10 0 CDAERP CN(CC[NH2+]Cc1ccsc1)C(=O)C[NH+]1CCCC1 ZINC001664369964 1172846084 /nfs/dbraw/zinc/84/60/84/1172846084.db2.gz RSZHTACJPGLKIG-UHFFFAOYSA-N 2 0 281.425 1.392 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000335832622 151057753 /nfs/dbraw/zinc/05/77/53/151057753.db2.gz UXDZQZKVHMBDMA-HNNXBMFYSA-N 2 0 293.455 1.853 10 0 CDAERP CC[NH+](CC)CCCNC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662658666 413261797 /nfs/dbraw/zinc/26/17/97/413261797.db2.gz HKQQJRBQZLYBFE-UHFFFAOYSA-N 2 0 282.388 1.330 10 0 CDAERP C[NH+](C)C1(CNC(=O)c2cc(C(C)(C)[NH3+])no2)CCCC1 ZINC000662661611 413265802 /nfs/dbraw/zinc/26/58/02/413265802.db2.gz FMNJEEZIPJVORI-UHFFFAOYSA-N 2 0 294.399 1.473 10 0 CDAERP C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000346604795 153241675 /nfs/dbraw/zinc/24/16/75/153241675.db2.gz DCRHEKOCVCLMKO-CZUORRHYSA-N 2 0 293.455 1.898 10 0 CDAERP C[C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C[N@@H+]1C1CC1 ZINC000346886857 153339237 /nfs/dbraw/zinc/33/92/37/153339237.db2.gz DBMTUVIZJWOSPB-JSGCOSHPSA-N 2 0 279.428 1.460 10 0 CDAERP CC[C@H]1C[C@@H](C[NH2+]CCOCC[NH+](C)C)CCO1 ZINC000349189228 154065246 /nfs/dbraw/zinc/06/52/46/154065246.db2.gz GDYZNLRKZODMCE-KBPBESRZSA-N 2 0 258.406 1.359 10 0 CDAERP C/C=C\C[C@H](CO)[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000349853754 154240875 /nfs/dbraw/zinc/24/08/75/154240875.db2.gz SWUHUQFAYPVFFI-ABCZVMIZSA-N 2 0 286.379 1.992 10 0 CDAERP CC1=CC[NH+](CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000349967012 154291014 /nfs/dbraw/zinc/29/10/14/154291014.db2.gz BNIIHXJEYJFQBJ-GJZGRUSLSA-N 2 0 279.428 1.485 10 0 CDAERP C[C@@H](CNC(=O)CC1([NH3+])CC1)[N@@H+]1CCCC[C@H]1C ZINC000662678887 413296263 /nfs/dbraw/zinc/29/62/63/413296263.db2.gz JPPCQDTXWVQJBM-NEPJUHHUSA-N 2 0 253.390 1.247 10 0 CDAERP C[C@H]1CC[N@@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC1(C)C ZINC000352326555 155096100 /nfs/dbraw/zinc/09/61/00/155096100.db2.gz JLBSKQVJOYAYOE-STQMWFEESA-N 2 0 295.427 1.044 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000662683784 413306334 /nfs/dbraw/zinc/30/63/34/413306334.db2.gz TYQFZZPRWDFNEO-AWEZNQCLSA-N 2 0 279.384 1.439 10 0 CDAERP C[C@H]1CCC[N@H+](CCCCNC(=O)CC2([NH3+])CC2)C1 ZINC000662684375 413307406 /nfs/dbraw/zinc/30/74/06/413307406.db2.gz XPHBAVZMEXSQLD-ZDUSSCGKSA-N 2 0 267.417 1.496 10 0 CDAERP CCN(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[C@@H]1CC[N@H+](C)C1 ZINC000664370047 413322497 /nfs/dbraw/zinc/32/24/97/413322497.db2.gz YQFPZLSZALZTNM-UONOGXRCSA-N 2 0 298.475 1.698 10 0 CDAERP C[N@@H+]1CCC[C@@H](CNC(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662701723 413343745 /nfs/dbraw/zinc/34/37/45/413343745.db2.gz UCVNFLOOBYQKDU-LBPRGKRZSA-N 2 0 265.401 1.119 10 0 CDAERP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)[C@H]1CCCOC1 ZINC000356838418 157586248 /nfs/dbraw/zinc/58/62/48/157586248.db2.gz DNHIZVKKKCXRIW-SOUVJXGZSA-N 2 0 270.417 1.238 10 0 CDAERP CC[N@H+](CCNC(=O)c1cc(C(C)(C)[NH3+])no1)C1CC1 ZINC000662709580 413359805 /nfs/dbraw/zinc/35/98/05/413359805.db2.gz CEIANFLXALKWBG-UHFFFAOYSA-N 2 0 280.372 1.083 10 0 CDAERP Cc1cccn2cc(CNC(=O)C3([NH2+]C4CC4)CCC3)nc12 ZINC000662726352 413389910 /nfs/dbraw/zinc/38/99/10/413389910.db2.gz DCFVLCHXWIFIMF-UHFFFAOYSA-N 2 0 298.390 1.934 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)C[NH+]1CCC(C)CC1 ZINC000662728530 413393856 /nfs/dbraw/zinc/39/38/56/413393856.db2.gz BELGZJYZZAXRPU-CYBMUJFWSA-N 2 0 255.406 1.208 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654566948 413439539 /nfs/dbraw/zinc/43/95/39/413439539.db2.gz UMJFUVSYNKTBOX-SOUVJXGZSA-N 2 0 298.475 1.746 10 0 CDAERP CC[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC[N@@H+]1CCOC ZINC000246188731 287155776 /nfs/dbraw/zinc/15/57/76/287155776.db2.gz CWPDMMRLXFJGDL-RBSFLKMASA-N 2 0 297.443 1.073 10 0 CDAERP C[C@@H]1CC(C)(C)C[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000412036221 287217610 /nfs/dbraw/zinc/21/76/10/287217610.db2.gz GSQSESWDGHOKQF-CYBMUJFWSA-N 2 0 293.455 1.850 10 0 CDAERP CN([C@@H](C[NH3+])C1CCCCC1)C1CC[NH+](C)CC1 ZINC000022174246 171369398 /nfs/dbraw/zinc/36/93/98/171369398.db2.gz GNUFBCVXFZSCEH-HNNXBMFYSA-N 2 0 253.434 1.920 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)NCCC1(C[NH3+])CC1 ZINC000653222537 412148095 /nfs/dbraw/zinc/14/80/95/412148095.db2.gz FRIGKYQIOAMYHI-UHFFFAOYSA-N 2 0 261.369 1.047 10 0 CDAERP CCO[C@@H]1CN(C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])C[C@H]1C[NH3+] ZINC000653243977 412161196 /nfs/dbraw/zinc/16/11/96/412161196.db2.gz SXBZHQCFMWIKGY-KBUPBQIOSA-N 2 0 297.443 1.106 10 0 CDAERP CN(CC[N@H+](C)C1CC1)C(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662800059 413517680 /nfs/dbraw/zinc/51/76/80/413517680.db2.gz CMAFKRWQSHMMMZ-UHFFFAOYSA-N 2 0 280.372 1.035 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)N(C)CC1C[NH+](C)C1 ZINC000660824013 413522481 /nfs/dbraw/zinc/52/24/81/413522481.db2.gz JEMMGECJCFAGDR-CYBMUJFWSA-N 2 0 282.432 1.064 10 0 CDAERP C[C@H]1C[C@@H](N(C)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC[N@@H+]1C ZINC000654659348 413551108 /nfs/dbraw/zinc/55/11/08/413551108.db2.gz ATYLMKVHGRKBPD-ZQDZILKHSA-N 2 0 296.459 1.451 10 0 CDAERP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000660844662 413560832 /nfs/dbraw/zinc/56/08/32/413560832.db2.gz SBXPVSHYTUDZFY-STQMWFEESA-N 2 0 284.448 1.499 10 0 CDAERP CC[N@H+](C)C[C@H](O)C[NH2+]CC[C@@]1(C)CC1(F)F ZINC000656716313 413595810 /nfs/dbraw/zinc/59/58/10/413595810.db2.gz ULBPVQVTZRSJBP-MNOVXSKESA-N 2 0 250.333 1.324 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000662845534 413597915 /nfs/dbraw/zinc/59/79/15/413597915.db2.gz JFVAWNNHSSQCJC-IUODEOHRSA-N 2 0 267.417 1.365 10 0 CDAERP CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)[C@H]1CCCCO1 ZINC000660927012 413660111 /nfs/dbraw/zinc/66/01/11/413660111.db2.gz UZSRXLGZJAZTTM-QLFBSQMISA-N 2 0 272.433 1.625 10 0 CDAERP C[C@@H](NC(=O)N(C)CC1C[NH+](C)C1)C(C)(C)C[NH+](C)C ZINC000660871440 413606458 /nfs/dbraw/zinc/60/64/58/413606458.db2.gz OTMNKYGWCSTJNT-GFCCVEGCSA-N 2 0 284.448 1.166 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000662852496 413607734 /nfs/dbraw/zinc/60/77/34/413607734.db2.gz KWWZLSAASWSJON-AJNGGQMLSA-N 2 0 293.455 1.896 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)NC(=O)N(CC)[C@@H]1CC[NH+](C)C1 ZINC000664936694 413746484 /nfs/dbraw/zinc/74/64/84/413746484.db2.gz ZKVCSORXJUFTSN-LSDHHAIUSA-N 2 0 298.475 1.842 10 0 CDAERP C[NH2+]CCc1ccccc1C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662926242 413712586 /nfs/dbraw/zinc/71/25/86/413712586.db2.gz KBJKTASIAHYLBN-OAHLLOKOSA-N 2 0 277.412 1.552 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NCC[NH+]1CCC(C)CC1 ZINC000659433876 413815256 /nfs/dbraw/zinc/81/52/56/413815256.db2.gz GZWFNNDPFPTKAJ-CQSZACIVSA-N 2 0 284.448 1.391 10 0 CDAERP C[NH2+]C[C@@H](C)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659365696 413748640 /nfs/dbraw/zinc/74/86/40/413748640.db2.gz HUVUFZOTECKKIX-BXUZGUMPSA-N 2 0 277.368 1.142 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000659435022 413818682 /nfs/dbraw/zinc/81/86/82/413818682.db2.gz UOSQQJXFGWULCX-SOUVJXGZSA-N 2 0 298.475 1.779 10 0 CDAERP C[NH2+]C[C@@H](C)NC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000659441345 413826282 /nfs/dbraw/zinc/82/62/82/413826282.db2.gz QYPJVFABAVFREK-HIFRSBDPSA-N 2 0 292.427 1.066 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N(C)CC(C)(C)[NH3+] ZINC000659451245 413835962 /nfs/dbraw/zinc/83/59/62/413835962.db2.gz CVQXOEXYUGVJQP-CHWSQXEVSA-N 2 0 284.448 1.628 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000659517528 413915332 /nfs/dbraw/zinc/91/53/32/413915332.db2.gz PEGGTDCBWUHBKI-KGLIPLIRSA-N 2 0 284.448 1.567 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000659517529 413914792 /nfs/dbraw/zinc/91/47/92/413914792.db2.gz PEGGTDCBWUHBKI-ZIAGYGMSSA-N 2 0 284.448 1.567 10 0 CDAERP CC(=O)NCc1ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cc1 ZINC000665234332 413958724 /nfs/dbraw/zinc/95/87/24/413958724.db2.gz BDNFOSGBKSYXOO-NWDGAFQWSA-N 2 0 263.385 1.538 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000659618459 414025650 /nfs/dbraw/zinc/02/56/50/414025650.db2.gz BTPANAWPHJGVSZ-RRFJBIMHSA-N 2 0 296.459 1.628 10 0 CDAERP C[NH+]1CCC[C@@]2(CCN(C(=O)N[C@@H]3CCC[N@@H+](C)C3)C2)C1 ZINC000655132770 414082461 /nfs/dbraw/zinc/08/24/61/414082461.db2.gz ZCYVVJRULJWCPE-GDBMZVCRSA-N 2 0 294.443 1.208 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[NH+]2CCCCC2)C1 ZINC000655167501 414144399 /nfs/dbraw/zinc/14/43/99/414144399.db2.gz YEARRNTXIFEUDL-CQSZACIVSA-N 2 0 267.417 1.273 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cn(C(C)(C)C)nn2)C1 ZINC000655826976 414237267 /nfs/dbraw/zinc/23/72/67/414237267.db2.gz KRMCGPDWCJRHJN-BJHJDKERSA-N 2 0 265.405 1.463 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC000655803073 414195456 /nfs/dbraw/zinc/19/54/56/414195456.db2.gz MJJOSOBMNQNDNE-ALYAQQCSSA-N 2 0 297.487 1.804 10 0 CDAERP CC[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1nccn1C ZINC000655805675 414198731 /nfs/dbraw/zinc/19/87/31/414198731.db2.gz RDTKWEUJELSXKU-XQQFMLRXSA-N 2 0 250.390 1.801 10 0 CDAERP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805992 414198793 /nfs/dbraw/zinc/19/87/93/414198793.db2.gz OTESKVHLDCPVLQ-RTXFEEFZSA-N 2 0 250.390 1.719 10 0 CDAERP C(NC[C@H]1CCCC[NH2+]1)c1nc2c(s1)C[NH2+]CC2 ZINC000663494825 414292084 /nfs/dbraw/zinc/29/20/84/414292084.db2.gz SHFGJZPSSSQIKL-SNVBAGLBSA-N 2 0 266.414 1.021 10 0 CDAERP COC[C@H](C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)OC ZINC000660013430 414361793 /nfs/dbraw/zinc/36/17/93/414361793.db2.gz XKVYGZWCLASXCZ-RDBSUJKOSA-N 2 0 256.390 1.064 10 0 CDAERP CC[C@H]1CCC[C@@H](C[N@@H+]2CCOC3(CNC3)C2)C1 ZINC000663513012 414318371 /nfs/dbraw/zinc/31/83/71/414318371.db2.gz QFSUUAREZMXFJA-UONOGXRCSA-N 2 0 252.402 1.877 10 0 CDAERP CCN(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)C1CC1 ZINC000665637873 414322475 /nfs/dbraw/zinc/32/24/75/414322475.db2.gz RQUCELASHRZHCS-ZDUSSCGKSA-N 2 0 284.448 1.452 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCC1CCCC1 ZINC000663702157 414415336 /nfs/dbraw/zinc/41/53/36/414415336.db2.gz VLZQQWWFGVFJJO-AWEZNQCLSA-N 2 0 298.475 1.748 10 0 CDAERP CC[C@H]([NH3+])C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000037826179 173783328 /nfs/dbraw/zinc/78/33/28/173783328.db2.gz UWVPSSBULMIIQM-ZDUSSCGKSA-N 2 0 253.390 1.058 10 0 CDAERP C[C@H](O)C[N@@H+](Cc1ccccc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662251570 414585151 /nfs/dbraw/zinc/58/51/51/414585151.db2.gz FRFAWDTYRJYLAH-HOCLYGCPSA-N 2 0 290.407 1.390 10 0 CDAERP Cc1ccccc1OCC[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249504 414585382 /nfs/dbraw/zinc/58/53/82/414585382.db2.gz VUNMGGDOAAVCJV-OAHLLOKOSA-N 2 0 290.407 1.827 10 0 CDAERP C[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)[C@H]1CCCO1 ZINC000662283949 414614011 /nfs/dbraw/zinc/61/40/11/414614011.db2.gz WIPWEXIOTSJPDM-BLLLJJGKSA-N 2 0 260.381 1.989 10 0 CDAERP Cc1cnn(CC[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000662295400 414620048 /nfs/dbraw/zinc/62/00/48/414620048.db2.gz ZWDPHKGZNYDVFP-MRXNPFEDSA-N 2 0 276.428 1.903 10 0 CDAERP FC(F)(F)C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CCO1 ZINC000662231381 414577855 /nfs/dbraw/zinc/57/78/55/414577855.db2.gz OFYOQEIIEAETOP-LLVKDONJSA-N 2 0 266.307 1.639 10 0 CDAERP C[C@H]1C[C@@H]([N@H+](C)CC(=O)N2CC[NH2+]CC2)CC(C)(C)C1 ZINC000038031110 174024320 /nfs/dbraw/zinc/02/43/20/174024320.db2.gz XEPUBJWXVLGINA-UONOGXRCSA-N 2 0 281.444 1.565 10 0 CDAERP CCOCCC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662323257 414639153 /nfs/dbraw/zinc/63/91/53/414639153.db2.gz XOMHAJKIUOKXBV-CQSZACIVSA-N 2 0 258.406 1.456 10 0 CDAERP CCCN1CCC([N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)CC1 ZINC000040749283 174393712 /nfs/dbraw/zinc/39/37/12/174393712.db2.gz KCIPPZQOCDETRI-LQDVMPOASA-N 2 0 251.418 1.815 10 0 CDAERP CC(C)[C@@H](CNc1cc[nH+]cc1)[NH+]1CCN(C)CC1 ZINC000040770420 174399942 /nfs/dbraw/zinc/39/99/42/174399942.db2.gz HEAUFZNLISRNFA-OAHLLOKOSA-N 2 0 262.401 1.766 10 0 CDAERP C[NH2+][C@@H](C)c1ccc(OC)c(CN2CC[NH+](C)CC2)c1 ZINC000043810641 175109643 /nfs/dbraw/zinc/10/96/43/175109643.db2.gz VYDRZZBYURBWQG-ZDUSSCGKSA-N 2 0 277.412 1.723 10 0 CDAERP C[NH2+][C@H](CN(C)C1CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000043815220 175111987 /nfs/dbraw/zinc/11/19/87/175111987.db2.gz PHLVEWFNPGZXRZ-QGZVFWFLSA-N 2 0 291.439 1.982 10 0 CDAERP CCC[NH2+][C@H]1CCC[C@@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815420 175112423 /nfs/dbraw/zinc/11/24/23/175112423.db2.gz OBBYORNMRXMURR-GJZGRUSLSA-N 2 0 253.434 1.933 10 0 CDAERP CC[NH2+][C@@H]1CCOC[C@@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000043907868 175123376 /nfs/dbraw/zinc/12/33/76/175123376.db2.gz WLDSAUXGXMQHKS-SJORKVTESA-N 2 0 295.471 1.704 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000044426704 175175301 /nfs/dbraw/zinc/17/53/01/175175301.db2.gz RFKFLLUECQTMSH-MRXNPFEDSA-N 2 0 289.423 1.722 10 0 CDAERP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000044427248 175175507 /nfs/dbraw/zinc/17/55/07/175175507.db2.gz YWECUDNLRMVYGX-CQSZACIVSA-N 2 0 275.396 1.330 10 0 CDAERP C[C@@H](C(=O)NC[C@@H]1CCCC[NH2+]1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000044491586 175180719 /nfs/dbraw/zinc/18/07/19/175180719.db2.gz MUYXOABFCWMUNS-XUXIUFHCSA-N 2 0 267.417 1.506 10 0 CDAERP C[C@H](NC(=O)C[NH+]1CCC(C[NH3+])CC1)c1ccco1 ZINC000044513426 175188990 /nfs/dbraw/zinc/18/89/90/175188990.db2.gz AFYBWBPHEOLYAO-NSHDSACASA-N 2 0 265.357 1.128 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@H](C)[NH2+]2)CC1 ZINC000044526945 175192071 /nfs/dbraw/zinc/19/20/71/175192071.db2.gz ZSQUECAVFSBFMF-JSGCOSHPSA-N 2 0 267.417 1.365 10 0 CDAERP CCC[NH2+]CC(=O)N[C@@H](C)CCC[NH+](CC)CC ZINC000044646702 175223403 /nfs/dbraw/zinc/22/34/03/175223403.db2.gz KMEMYRHDKGVSTK-ZDUSSCGKSA-N 2 0 257.422 1.613 10 0 CDAERP CCC[NH2+]CC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000044650623 175224315 /nfs/dbraw/zinc/22/43/15/175224315.db2.gz SXSITCGAZXABOL-CYBMUJFWSA-N 2 0 253.390 1.073 10 0 CDAERP [NH3+]CC1(C(=O)N[C@@H]2C[NH+]3CCC2CC3)CCCCC1 ZINC000044753275 175245741 /nfs/dbraw/zinc/24/57/41/175245741.db2.gz GNGFVMLOQOXIFM-CYBMUJFWSA-N 2 0 265.401 1.106 10 0 CDAERP C[C@H](C[NH+]1CCCC1)NC(=O)C1(C[NH3+])CCCCCC1 ZINC000044763646 175247540 /nfs/dbraw/zinc/24/75/40/175247540.db2.gz IZXYHVAVEITFQY-CQSZACIVSA-N 2 0 281.444 1.886 10 0 CDAERP C[NH+](C)C(C)(C)CNC(=O)C1(C[NH3+])CCCCC1 ZINC000044764316 175248272 /nfs/dbraw/zinc/24/82/72/175248272.db2.gz XIVIEKYRFVVBEY-UHFFFAOYSA-N 2 0 255.406 1.352 10 0 CDAERP C[N@@H+]1CCC[C@@H](CNC(=O)C2(C[NH3+])CCCCCC2)C1 ZINC000044764402 175248726 /nfs/dbraw/zinc/24/87/26/175248726.db2.gz JCQZUJALGGTEML-AWEZNQCLSA-N 2 0 281.444 1.744 10 0 CDAERP CCC[C@@H](C[NH3+])C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000044806461 175256523 /nfs/dbraw/zinc/25/65/23/175256523.db2.gz YFTYAHIYXLRWPM-STQMWFEESA-N 2 0 257.422 1.454 10 0 CDAERP CC(C)[C@H](C[NH3+])C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000045135572 175313514 /nfs/dbraw/zinc/31/35/14/175313514.db2.gz FJYICNQQNLDRKL-STQMWFEESA-N 2 0 255.406 1.064 10 0 CDAERP CC(C)[NH2+][C@@](C)(CCN1CC[NH+](C(C)(C)C)CC1)C(N)=O ZINC000045279762 175350344 /nfs/dbraw/zinc/35/03/44/175350344.db2.gz BPWBICZGFYGQGO-INIZCTEOSA-N 2 0 298.475 1.035 10 0 CDAERP CCCC[N@H+](C)CCC[C@@](C)([NH2+]C1CC1)C(N)=O ZINC000045368432 175363737 /nfs/dbraw/zinc/36/37/37/175363737.db2.gz CFQIURIIZIXJCO-CQSZACIVSA-N 2 0 255.406 1.495 10 0 CDAERP C[NH2+][C@@](C)(CCC[NH+]1CCCCCCC1)C(N)=O ZINC000045371585 175364069 /nfs/dbraw/zinc/36/40/69/175364069.db2.gz PLTYTBQPDYGTJH-AWEZNQCLSA-N 2 0 255.406 1.496 10 0 CDAERP CC[N@H+](CCC[C@@](C)([NH3+])C(N)=O)C1CCCCC1 ZINC000045372405 175365077 /nfs/dbraw/zinc/36/50/77/175365077.db2.gz XVWCLEYQBDDUPB-CQSZACIVSA-N 2 0 255.406 1.624 10 0 CDAERP C[C@@](CCCC[N@@H+]1CCOC(C)(C)C1)([NH2+]C1CC1)C(N)=O ZINC000045418702 175377084 /nfs/dbraw/zinc/37/70/84/175377084.db2.gz HLPVWCVJZIOHGL-INIZCTEOSA-N 2 0 297.443 1.264 10 0 CDAERP CCCC[N@H+](CCCC[C@](C)([NH3+])C(N)=O)C1CC1 ZINC000045421733 175380537 /nfs/dbraw/zinc/38/05/37/175380537.db2.gz FKCRUUNFTHTOLQ-AWEZNQCLSA-N 2 0 255.406 1.624 10 0 CDAERP CC1CC[NH+](CCNC(=O)c2ccc(CC[NH3+])cc2)CC1 ZINC000070552595 175981778 /nfs/dbraw/zinc/98/17/78/175981778.db2.gz VMVZIIMCYJJYIW-UHFFFAOYSA-N 2 0 289.423 1.650 10 0 CDAERP CC(C)[NH2+][C@H]1CCCN(CC(C)(C)C[NH+](C)C)C1=O ZINC000071036144 176025499 /nfs/dbraw/zinc/02/54/99/176025499.db2.gz XLKPLDPCUXFHCO-ZDUSSCGKSA-N 2 0 269.433 1.563 10 0 CDAERP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H]2COC3(CCCC3)O2)C1 ZINC000071145667 176041660 /nfs/dbraw/zinc/04/16/60/176041660.db2.gz OKEBHKYKTRWNQY-QWHCGFSZSA-N 2 0 254.374 1.213 10 0 CDAERP C[C@@H]1CCC[C@H]([N@@H+]2CCCN(CCC[NH3+])CC2)C1 ZINC000071147375 176043523 /nfs/dbraw/zinc/04/35/23/176043523.db2.gz HDMPDRUTSRUICG-CABCVRRESA-N 2 0 253.434 1.922 10 0 CDAERP C[C@@H]1C[C@H]([NH3+])CC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071193289 176075421 /nfs/dbraw/zinc/07/54/21/176075421.db2.gz GMHJRIXZEMUIOC-SYQHCUMBSA-N 2 0 267.417 1.160 10 0 CDAERP CC[NH2+][C@H]1CCCN(C[C@@H](C)[NH+]2CCCCC2)C1 ZINC000071201173 176077926 /nfs/dbraw/zinc/07/79/26/176077926.db2.gz CDBZEMNYMUPQSB-CABCVRRESA-N 2 0 253.434 1.935 10 0 CDAERP C[NH+](C)CC1CC[NH+](Cc2ccc(F)cc2C(N)=[NH2+])CC1 ZINC000071267855 176101771 /nfs/dbraw/zinc/10/17/71/176101771.db2.gz CKSOCCZLANEPLZ-UHFFFAOYSA-N 3 0 292.402 1.883 10 0 CDAERP C[NH2+]CCCCCC[N@H+](CCOC)[C@H](C)COC ZINC000071289729 176110765 /nfs/dbraw/zinc/11/07/65/176110765.db2.gz UGKDGZDGWUIBPV-CQSZACIVSA-N 2 0 260.422 1.750 10 0 CDAERP CC[NH2+]CC[C@@H]1C[NH2+]CCN1CCC1CCCC1 ZINC000078526400 177349736 /nfs/dbraw/zinc/34/97/36/177349736.db2.gz IRQPFJWUOONFIB-OAHLLOKOSA-N 2 0 253.434 1.840 10 0 CDAERP CC[C@H](CC[NH3+])CCC(=O)NCC(C)(C)[NH+](C)C ZINC000079211877 177447622 /nfs/dbraw/zinc/44/76/22/177447622.db2.gz OAQMLCHHNRUZHR-LBPRGKRZSA-N 2 0 257.422 1.598 10 0 CDAERP CC(C)[C@H](CC[NH3+])CCC(=O)N(C)CCC[NH+](C)C ZINC000079278899 177462616 /nfs/dbraw/zinc/46/26/16/177462616.db2.gz KWWVHARULPQWEJ-AWEZNQCLSA-N 2 0 271.449 1.798 10 0 CDAERP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000126821750 287629939 /nfs/dbraw/zinc/62/99/39/287629939.db2.gz KCMPVJNDTXYRES-UKRRQHHQSA-N 2 0 279.428 1.461 10 0 CDAERP COc1ccc(C[NH2+]C[C@@H]2CC[NH2+]C2)cc1OC ZINC000258847546 270308772 /nfs/dbraw/zinc/30/87/72/270308772.db2.gz HMABCIQHSUVDFL-GFCCVEGCSA-N 2 0 250.342 1.403 10 0 CDAERP CCC[NH2+][C@H](C)C(=O)N1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000653260074 423826355 /nfs/dbraw/zinc/82/63/55/423826355.db2.gz BYNVOVDXKCSWQD-KBUPBQIOSA-N 2 0 297.443 1.262 10 0 CDAERP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]CC[C@H]2CC[NH2+]C2)cn1 ZINC000662309619 423942192 /nfs/dbraw/zinc/94/21/92/423942192.db2.gz BASQAJYTIFFQMM-KBMXLJTQSA-N 2 0 276.428 1.721 10 0 CDAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1ccc(C[NH3+])cc1F ZINC000652216031 424067142 /nfs/dbraw/zinc/06/71/42/424067142.db2.gz HIWMXMVOEYSDKJ-HZMBPMFUSA-N 2 0 294.374 1.082 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000652214836 424069607 /nfs/dbraw/zinc/06/96/07/424069607.db2.gz UIIFGCPFMYYCQX-KBPBESRZSA-N 2 0 284.448 1.262 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]C[C@]2(CO)CCc3ccccc32)CC[N@@H+]1C ZINC000652226267 424088034 /nfs/dbraw/zinc/08/80/34/424088034.db2.gz NJQKWQMDYAQEFL-HFTRVMKXSA-N 2 0 288.435 1.935 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000652291521 424197489 /nfs/dbraw/zinc/19/74/89/424197489.db2.gz XTLHFZPXKXIIIK-CQSZACIVSA-N 2 0 276.384 1.039 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N1CCC([NH3+])CC1 ZINC000652291115 424197792 /nfs/dbraw/zinc/19/77/92/424197792.db2.gz GBBRKXFKFZBXMY-UHFFFAOYSA-N 2 0 276.384 1.039 10 0 CDAERP CN(CC[NH+]1CCCCC1)C(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000653273632 424208675 /nfs/dbraw/zinc/20/86/75/424208675.db2.gz JNXGGDLSOOJXHY-OAGGEKHMSA-N 2 0 293.455 1.851 10 0 CDAERP CCCC[C@H](C[NH3+])NC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653055671 424180586 /nfs/dbraw/zinc/18/05/86/424180586.db2.gz JWFFMBPKSMUTIN-FRRDWIJNSA-N 2 0 253.390 1.151 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC2([NH3+])CCCC2)[C@@H](C)C1 ZINC000659572961 424239990 /nfs/dbraw/zinc/23/99/90/424239990.db2.gz JLDTZGYHYFTNCC-UONOGXRCSA-N 2 0 296.459 1.630 10 0 CDAERP c1nncn1CC1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000652353523 424286822 /nfs/dbraw/zinc/28/68/22/424286822.db2.gz OFABZEKGFVEKLM-CQSZACIVSA-N 2 0 277.416 1.380 10 0 CDAERP C[C@H](C[NH2+]CCC(C)(C)C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001667054892 1173227685 /nfs/dbraw/zinc/22/76/85/1173227685.db2.gz UPAULVLGXAHCLC-KGLIPLIRSA-N 2 0 283.460 1.811 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662716074 424374610 /nfs/dbraw/zinc/37/46/10/424374610.db2.gz QMQOZHZLNIGMCT-CQSZACIVSA-N 2 0 279.428 1.652 10 0 CDAERP CN(CC1C[NH+](C)C1)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000661407614 424324638 /nfs/dbraw/zinc/32/46/38/424324638.db2.gz NRNSFAWEFNGNNA-CYBMUJFWSA-N 2 0 282.432 1.062 10 0 CDAERP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CC1([NH3+])CC1 ZINC000662696120 424331846 /nfs/dbraw/zinc/33/18/46/424331846.db2.gz SWVMZRQNKGSLQF-VXGBXAGGSA-N 2 0 253.390 1.104 10 0 CDAERP CC(C)[C@H]1CN(C(=O)c2ccccc2CC[NH3+])CC[NH2+]1 ZINC000653133097 424341078 /nfs/dbraw/zinc/34/10/78/424341078.db2.gz ZVDWLYLOJHZVEE-OAHLLOKOSA-N 2 0 275.396 1.258 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)c2ccccc2CC[NH3+])CC[NH2+]1 ZINC000653136038 424347543 /nfs/dbraw/zinc/34/75/43/424347543.db2.gz YLGJIAGTIFXSRI-DGCLKSJQSA-N 2 0 261.369 1.058 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000659623740 424430588 /nfs/dbraw/zinc/43/05/88/424430588.db2.gz LDLZEEWRYKDBCV-ZIAGYGMSSA-N 2 0 280.416 1.016 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000655489545 424506204 /nfs/dbraw/zinc/50/62/04/424506204.db2.gz SYWZHQTYFUTGHW-GLQYFDAESA-N 2 0 293.386 1.324 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)CCC2CC[NH2+]CC2)C1 ZINC000655489558 424506392 /nfs/dbraw/zinc/50/63/92/424506392.db2.gz UDVCQNIKRONWEM-OKILXGFUSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000662825090 424510840 /nfs/dbraw/zinc/51/08/40/424510840.db2.gz PUSLIUGXWKJCFF-UONOGXRCSA-N 2 0 281.444 1.788 10 0 CDAERP C[C@@H](CC(=O)N[C@@H](C[NH3+])C(F)(F)F)C1CC[NH2+]CC1 ZINC000655504991 424667015 /nfs/dbraw/zinc/66/70/15/424667015.db2.gz MREKHHIXTQLSGV-WPRPVWTQSA-N 2 0 281.322 1.018 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H](C)CC(F)(F)F ZINC000397020514 270346242 /nfs/dbraw/zinc/34/62/42/270346242.db2.gz RXBMGSAHCWMYEE-ZJUUUORDSA-N 2 0 256.312 1.918 10 0 CDAERP [NH3+][C@@H](CNC(=O)NC1CC([NH+]2CCCCC2)C1)C1CC1 ZINC000515047956 270423972 /nfs/dbraw/zinc/42/39/72/270423972.db2.gz XZFFPWQNMGXYPC-RUXDESIVSA-N 2 0 280.416 1.040 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC[C@@H]1CCCOC1 ZINC000530211699 271154269 /nfs/dbraw/zinc/15/42/69/271154269.db2.gz ODCWQBRKKXGTAN-XDQVBPFNSA-N 2 0 256.390 1.145 10 0 CDAERP C1CC2(C1)[NH2+]CC[C@H]2[NH2+]C1CCC2(CC1)OCCO2 ZINC000530215524 271157652 /nfs/dbraw/zinc/15/76/52/271157652.db2.gz HAWORQYTPOQNRR-CYBMUJFWSA-N 2 0 266.385 1.546 10 0 CDAERP C1CC2(C1)[NH2+]CC[C@@H]2[NH2+][C@@H]1CCC12CCOCC2 ZINC000530216521 271158506 /nfs/dbraw/zinc/15/85/06/271158506.db2.gz QBEILLXYYJIFBR-OLZOCXBDSA-N 2 0 250.386 1.820 10 0 CDAERP CC(C)(C[NH2+][C@H]1CCC[C@H]([NH3+])C1)C(=O)N1CCCC1 ZINC000530226163 271168761 /nfs/dbraw/zinc/16/87/61/271168761.db2.gz QDWGSJIGOPFWTE-STQMWFEESA-N 2 0 267.417 1.495 10 0 CDAERP CCCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001668059353 1173363659 /nfs/dbraw/zinc/36/36/59/1173363659.db2.gz FGMOMUJGWKWPST-DZGCQCFKSA-N 2 0 281.444 1.613 10 0 CDAERP CCC[NH2+]CC[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001668234212 1173385799 /nfs/dbraw/zinc/38/57/99/1173385799.db2.gz GGKKAGRPGCJZCA-ZDUSSCGKSA-N 2 0 269.433 1.613 10 0 CDAERP COCCN1CCC[C@@H]1C[NH2+][C@@H](C)CCCC[NH3+] ZINC000422700240 277221714 /nfs/dbraw/zinc/22/17/14/277221714.db2.gz GCMNMNGLDLMPER-UONOGXRCSA-N 2 0 257.422 1.204 10 0 CDAERP COCC[N@@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@H]21 ZINC000353504203 277222132 /nfs/dbraw/zinc/22/21/32/277222132.db2.gz QUHLUAILXFYQAW-YYIAUSFCSA-N 2 0 295.471 1.560 10 0 CDAERP CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000416937778 277385016 /nfs/dbraw/zinc/38/50/16/277385016.db2.gz JPUAUUKACBQNDW-UKRRQHHQSA-N 2 0 296.459 1.404 10 0 CDAERP C[C@@H]1C[C@H](N[C@@H]2C[NH2+]CCC2(F)F)C[N@@H+]1C1CC1 ZINC000423464540 278028946 /nfs/dbraw/zinc/02/89/46/278028946.db2.gz BLMRSLUPJZMWTH-JFGNBEQYSA-N 2 0 259.344 1.198 10 0 CDAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C[C@H]1CC[NH2+]C1 ZINC000261546628 278240820 /nfs/dbraw/zinc/24/08/20/278240820.db2.gz LCFGSYWXSSNMKD-GOEBONIOSA-N 2 0 289.423 1.623 10 0 CDAERP CC(C)C[C@H](C[NH3+])NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000417782259 279139144 /nfs/dbraw/zinc/13/91/44/279139144.db2.gz FWXAHTPQKOPQJA-NUDNTCICSA-N 2 0 296.459 1.674 10 0 CDAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCCCCC[NH+]1CCCC1 ZINC000418213464 279736693 /nfs/dbraw/zinc/73/66/93/279736693.db2.gz HOZXCGHSQHWOLO-LSDHHAIUSA-N 2 0 296.459 1.550 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000194169954 280026707 /nfs/dbraw/zinc/02/67/07/280026707.db2.gz ZSLTUXGVSARONE-OAHLLOKOSA-N 2 0 294.443 1.208 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1CNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261910341 280993963 /nfs/dbraw/zinc/99/39/63/280993963.db2.gz XKZDBFGDMRTCSE-YNEHKIRRSA-N 2 0 267.417 1.398 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261826024 288296946 /nfs/dbraw/zinc/29/69/46/288296946.db2.gz TWMGQTYDOMZBHJ-APIJFGDWSA-N 2 0 279.428 1.447 10 0 CDAERP CCN(CC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)C(=O)CC[NH+](C)C ZINC001668542465 1173424286 /nfs/dbraw/zinc/42/42/86/1173424286.db2.gz PWHPJRSBTJUNRY-OAGGEKHMSA-N 2 0 295.471 1.812 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000087617418 282050231 /nfs/dbraw/zinc/05/02/31/282050231.db2.gz KOAKCSCRINDCMH-MRXNPFEDSA-N 2 0 287.407 1.426 10 0 CDAERP C[NH+](C)C1CCC([NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)CC1 ZINC000423549233 289065655 /nfs/dbraw/zinc/06/56/55/289065655.db2.gz NDKQGORDQDTHRW-CKUJCDMFSA-N 2 0 281.444 1.216 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)[C@H]([NH3+])C2CCC2)CC1 ZINC000423749818 289103212 /nfs/dbraw/zinc/10/32/12/289103212.db2.gz SJRNESYBRCJEQR-UXUKBGGZSA-N 2 0 267.417 1.350 10 0 CDAERP C[NH+](C)CC[C@@H](NC(=O)NCCC[NH3+])C(C)(C)C ZINC000417679929 289178639 /nfs/dbraw/zinc/17/86/39/289178639.db2.gz MTYRYGGWTZNNBV-LLVKDONJSA-N 2 0 258.410 1.001 10 0 CDAERP C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000062972199 289314835 /nfs/dbraw/zinc/31/48/35/289314835.db2.gz DFHNGDNPFGXQCD-CRWXNKLISA-N 2 0 265.401 1.070 10 0 CDAERP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC000553369871 290115846 /nfs/dbraw/zinc/11/58/46/290115846.db2.gz FPPGBHTVNKOWHJ-RRFJBIMHSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261697675 290388682 /nfs/dbraw/zinc/38/86/82/290388682.db2.gz IDSXNHDIXNEDGV-BFHYXJOUSA-N 2 0 267.417 1.352 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC000561113836 293051426 /nfs/dbraw/zinc/05/14/26/293051426.db2.gz NMOKUEMCZAPVRA-JSGCOSHPSA-N 2 0 295.452 1.809 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCC[NH+]1CCCCC1 ZINC000234782910 293095956 /nfs/dbraw/zinc/09/59/56/293095956.db2.gz BWGMKKHDCBNXOL-AWEZNQCLSA-N 3 0 257.422 1.206 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)NCC1([NH3+])CCC1 ZINC000563086308 293267765 /nfs/dbraw/zinc/26/77/65/293267765.db2.gz CDBKYJDYDWTRPX-GFCCVEGCSA-N 2 0 253.390 1.249 10 0 CDAERP [NH3+]C[C@@H](NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000568373187 294022544 /nfs/dbraw/zinc/02/25/44/294022544.db2.gz XUHSFIGFSGFOEX-ZIAGYGMSSA-N 2 0 280.416 1.040 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C3CCC3)C[C@@H](C)C2)C1 ZINC000570982163 294346121 /nfs/dbraw/zinc/34/61/21/294346121.db2.gz BIXKSHPRNVQICY-HUUCEWRRSA-N 2 0 293.455 1.661 10 0 CDAERP C[C@H]1[NH2+]CC[C@@H]1C(=O)N(CC[NH3+])CCc1ccccc1 ZINC000571626070 294472386 /nfs/dbraw/zinc/47/23/86/294472386.db2.gz QDIXTIIYMOCALL-HIFRSBDPSA-N 2 0 275.396 1.014 10 0 CDAERP C[NH2+][C@@H](C)C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000573934326 294916153 /nfs/dbraw/zinc/91/61/53/294916153.db2.gz QPRBQIFNGWBHLN-GDLCADMTSA-N 2 0 279.359 1.077 10 0 CDAERP [NH3+]C1(CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CCC1 ZINC000333883441 295206017 /nfs/dbraw/zinc/20/60/17/295206017.db2.gz WRGBXUXOPSJATQ-AWEZNQCLSA-N 2 0 294.443 1.528 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000223424720 295314121 /nfs/dbraw/zinc/31/41/21/295314121.db2.gz LRGSXXKIQAFLHI-MGPQQGTHSA-N 2 0 265.401 1.201 10 0 CDAERP COc1ccccc1[C@@H]1C[NH2+]CCN1CC1CC[NH2+]CC1 ZINC000262155873 295394007 /nfs/dbraw/zinc/39/40/07/295394007.db2.gz GKDNPUQWGYCTDA-INIZCTEOSA-N 2 0 289.423 1.641 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC[N@@H+]1C ZINC000261833161 297257898 /nfs/dbraw/zinc/25/78/98/297257898.db2.gz UIDZKZKKCLSFJP-YIYPIFLZSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCC[NH2+]C1CCCCCC1 ZINC000418447434 300325901 /nfs/dbraw/zinc/32/59/01/300325901.db2.gz PPOQRUGHAYNARS-DZGCQCFKSA-N 2 0 296.459 1.596 10 0 CDAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000333633601 300325951 /nfs/dbraw/zinc/32/59/51/300325951.db2.gz HAHHGLNTWAISDG-QWHCGFSZSA-N 2 0 282.432 1.016 10 0 CDAERP [NH3+]CC1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000237806886 303371594 /nfs/dbraw/zinc/37/15/94/303371594.db2.gz RNCIBTLHJLLFBW-IHRRRGAJSA-N 2 0 265.401 1.104 10 0 CDAERP [NH3+]CCN(CCc1ccccc1)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000261830567 303381392 /nfs/dbraw/zinc/38/13/92/303381392.db2.gz YZTBJQBFCNURSD-HOTGVXAUSA-N 2 0 289.423 1.534 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@](C)(C[NH2+]C/C=C/Cl)C2)C1 ZINC001671811467 1173713539 /nfs/dbraw/zinc/71/35/39/1173713539.db2.gz ZGZXASNHCBWPRK-WBSOJBIMSA-N 2 0 299.846 1.519 10 0 CDAERP CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000563605688 316341034 /nfs/dbraw/zinc/34/10/34/316341034.db2.gz JDBVGSPMWALRFD-STQMWFEESA-N 2 0 284.448 1.484 10 0 CDAERP CC(C)CC(CC(C)C)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000570155854 316921142 /nfs/dbraw/zinc/92/11/42/316921142.db2.gz RMDZJOWTQWNMDP-QGZVFWFLSA-N 2 0 299.503 1.645 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000575860172 317026032 /nfs/dbraw/zinc/02/60/32/317026032.db2.gz VHPAJDVYXYVSBN-QLFBSQMISA-N 2 0 255.450 1.940 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NCC[C@@H]2CCC[NH+](C)C2)C1 ZINC000576171670 317090796 /nfs/dbraw/zinc/09/07/96/317090796.db2.gz TWJIFPQLVQHQDQ-KBPBESRZSA-N 2 0 267.417 1.176 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(C)CC2)[C@H]1C ZINC000577041113 317253187 /nfs/dbraw/zinc/25/31/87/317253187.db2.gz RZMKMIKWBSHTGM-QLFBSQMISA-N 2 0 253.434 1.648 10 0 CDAERP CN(C(=O)[C@@H]1CC12CC[NH2+]CC2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000577061447 317258033 /nfs/dbraw/zinc/25/80/33/317258033.db2.gz PGCZILZSYMAKNM-PIGZVRMJSA-N 2 0 277.412 1.118 10 0 CDAERP C[C@H]([NH3+])[C@H](C)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000577382207 317319672 /nfs/dbraw/zinc/31/96/72/317319672.db2.gz FANVRUHALRIBJD-DUPGQFARSA-N 2 0 275.396 1.568 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1C[C@H](C)[C@@H](C[NH2+]CC)C1 ZINC001672326728 1173765932 /nfs/dbraw/zinc/76/59/32/1173765932.db2.gz DPZRIHLURYAUJC-KBPBESRZSA-N 2 0 269.433 1.422 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CC[C@@H](CC[NH2+]C/C=C/Cl)C1 ZINC001672909125 1173809101 /nfs/dbraw/zinc/80/91/01/1173809101.db2.gz CENXGKBNRWLUHL-BOTMBNHJSA-N 2 0 299.846 1.663 10 0 CDAERP C[C@@H](CCCC[NH3+])NC(=O)c1ccccc1CC[NH3+] ZINC000582129515 324912673 /nfs/dbraw/zinc/91/26/73/324912673.db2.gz JETKABJGZRJVBU-LBPRGKRZSA-N 2 0 263.385 1.435 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000583193259 325124644 /nfs/dbraw/zinc/12/46/44/325124644.db2.gz QDAFHZLIRNSBRF-QLFBSQMISA-N 2 0 296.459 1.548 10 0 CDAERP C[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1[NH2+]CCF ZINC001673934414 1173899176 /nfs/dbraw/zinc/89/91/76/1173899176.db2.gz YHLKZCRASOOQQQ-GJZGRUSLSA-N 2 0 299.434 1.659 10 0 CDAERP C[C@@H](CC(=O)N1CC2CCC1(C[NH3+])CC2)[C@H]1CCC[NH2+]C1 ZINC000584120792 327043952 /nfs/dbraw/zinc/04/39/52/327043952.db2.gz YFLMRCXJRKPAQG-BOLLXYOYSA-N 2 0 293.455 1.742 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001698856539 1159118016 /nfs/dbraw/zinc/11/80/16/1159118016.db2.gz LIRIYXDRJSQZLY-GJZGRUSLSA-N 2 0 283.460 1.811 10 0 CDAERP Cc1cncc(C[NH2+]CCN(C)C(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001493501596 1160163891 /nfs/dbraw/zinc/16/38/91/1160163891.db2.gz WIPDGZXFDKSWNA-OAHLLOKOSA-N 2 0 290.411 1.032 10 0 CDAERP CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CCO1 ZINC001502094352 1160250711 /nfs/dbraw/zinc/25/07/11/1160250711.db2.gz FZWFTTSBPPNXNR-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CCN(CCC[NH+](CC)CC)C(=O)C[C@@H]([NH3+])C(C)C ZINC000230712338 482558697 /nfs/dbraw/zinc/55/86/97/482558697.db2.gz JGNZSKUHHHCAKN-CQSZACIVSA-N 2 0 271.449 1.940 10 0 CDAERP C[C@H]([NH3+])CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000669545851 482643131 /nfs/dbraw/zinc/64/31/31/482643131.db2.gz GIXWKALQAGIASN-UBHSHLNASA-N 2 0 276.384 1.078 10 0 CDAERP COC1(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CCOCC1 ZINC000671754061 482660732 /nfs/dbraw/zinc/66/07/32/482660732.db2.gz QRGCBACOOXLPFN-ZNMIVQPWSA-N 2 0 282.428 1.644 10 0 CDAERP C[C@@H](CO)[N@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000685458315 482751842 /nfs/dbraw/zinc/75/18/42/482751842.db2.gz HEPZPMREPQBPFP-ZDUSSCGKSA-N 2 0 266.385 1.440 10 0 CDAERP Cc1ccc([C@@H]([NH3+])C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000336339857 482908383 /nfs/dbraw/zinc/90/83/83/482908383.db2.gz SDFBBISCINDXIF-NVXWUHKLSA-N 2 0 287.407 1.597 10 0 CDAERP Cc1ccc([C@H]([NH3+])C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000336339855 482908695 /nfs/dbraw/zinc/90/86/95/482908695.db2.gz SDFBBISCINDXIF-DOTOQJQBSA-N 2 0 287.407 1.597 10 0 CDAERP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000261783403 482924844 /nfs/dbraw/zinc/92/48/44/482924844.db2.gz PNCDWPMAONXIPP-RRFJBIMHSA-N 2 0 281.444 1.552 10 0 CDAERP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC/C=C\C[NH3+] ZINC000669409514 482956224 /nfs/dbraw/zinc/95/62/24/482956224.db2.gz JIICMXRQTBUUCZ-GTUNJFDUSA-N 2 0 282.432 1.167 10 0 CDAERP CC1(C)CC([NH2+]C[C@H]2C[NH2+]C[C@H]2O)CC(C)(C)C1 ZINC000262093770 482970175 /nfs/dbraw/zinc/97/01/75/482970175.db2.gz HLMAAPJBEJEPDM-DGCLKSJQSA-N 2 0 254.418 1.761 10 0 CDAERP C[NH+](C)CC(C)(C)CNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089448923 483077228 /nfs/dbraw/zinc/07/72/28/483077228.db2.gz PBTMLZLIESYZAK-RYUDHWBXSA-N 2 0 255.406 1.065 10 0 CDAERP C[NH+](C)CCOc1cccc(NC(=O)C[C@H]2CC[NH2+]C2)c1 ZINC000089742536 483128856 /nfs/dbraw/zinc/12/88/56/483128856.db2.gz SYSZNSOGDPGFJB-CYBMUJFWSA-N 2 0 291.395 1.565 10 0 CDAERP CN(Cc1cnc2n1CCC2)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000667598756 483346082 /nfs/dbraw/zinc/34/60/82/483346082.db2.gz BCBKKMHPLHWNDW-ZDUSSCGKSA-N 2 0 260.385 1.498 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000136392431 483400796 /nfs/dbraw/zinc/40/07/96/483400796.db2.gz LVPCTNYJLOVVDG-OLZOCXBDSA-N 2 0 253.390 1.057 10 0 CDAERP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CO[C@H](C3CC3)C2)C1 ZINC000667820082 483449240 /nfs/dbraw/zinc/44/92/40/483449240.db2.gz NQWYYAHTYXVCAJ-SNPRPXQTSA-N 2 0 252.402 1.875 10 0 CDAERP C[C@@H]1C[C@H]([NH2+][C@H]2CO[C@@H](C3CC3)C2)CN1C1CC1 ZINC000667905257 483475318 /nfs/dbraw/zinc/47/53/18/483475318.db2.gz MAQPAEOZONKALG-CQROYNQRSA-N 2 0 250.386 1.769 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC[NH+](C)C2)[C@@H](C)C1 ZINC000676539547 483525278 /nfs/dbraw/zinc/52/52/78/483525278.db2.gz BKBMSUXJZNOFIA-ZNMIVQPWSA-N 2 0 296.459 1.452 10 0 CDAERP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cnn4c3CCC4)C2)CC1 ZINC000668168933 483594437 /nfs/dbraw/zinc/59/44/37/483594437.db2.gz DFFLKDZNYGIBEY-OAHLLOKOSA-N 2 0 288.439 1.993 10 0 CDAERP C[C@@H](CC[NH2+]CCOC1CCC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001482816760 1160637470 /nfs/dbraw/zinc/63/74/70/1160637470.db2.gz JWFXTDWIRPYXOJ-DZGCQCFKSA-N 2 0 297.443 1.134 10 0 CDAERP Cc1cccnc1C[NH2+]CCN(C)C(=O)C[NH+]1CCCC1 ZINC001691602930 1160714815 /nfs/dbraw/zinc/71/48/15/1160714815.db2.gz LAQPSHFEAYJLGK-UHFFFAOYSA-N 2 0 290.411 1.034 10 0 CDAERP C[C@@H](F)CC[N@H+](C)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001409562352 1160849298 /nfs/dbraw/zinc/84/92/98/1160849298.db2.gz IIHJFDGFGREJOM-CHWSQXEVSA-N 2 0 287.423 1.655 10 0 CDAERP CC(C)[NH2+]C[C@H]1CC[C@@H](C[N@@H+]2CCOC(C)(C)C2)O1 ZINC000052481893 519725826 /nfs/dbraw/zinc/72/58/26/519725826.db2.gz GVMRTORFOBNSMR-KGLIPLIRSA-N 2 0 270.417 1.643 10 0 CDAERP CCCC1CC[NH+](CC(=O)N(C)CCC[NH3+])CC1 ZINC000050893188 519900647 /nfs/dbraw/zinc/90/06/47/519900647.db2.gz DHNYRSDWIUWTKZ-UHFFFAOYSA-N 2 0 255.406 1.306 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000061294617 519903208 /nfs/dbraw/zinc/90/32/08/519903208.db2.gz QGTYPSMOZSZYQE-UHFFFAOYSA-N 2 0 269.433 1.706 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@H](CN2CC[NH+](C(C)(C)C)CC2)O1 ZINC000052571689 519955723 /nfs/dbraw/zinc/95/57/23/519955723.db2.gz ITANFVMAMKHSGC-LSDHHAIUSA-N 2 0 283.460 1.560 10 0 CDAERP CCC[NH2+][C@H](CN(C)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC000069075613 520080024 /nfs/dbraw/zinc/08/00/24/520080024.db2.gz XKEMYESNJXHJQZ-UKRRQHHQSA-N 2 0 253.434 1.648 10 0 CDAERP CC[NH2+][C@@](CO)(CN1CC[NH+](CC(C)C)CC1)C1CC1 ZINC000070335056 520154551 /nfs/dbraw/zinc/15/45/51/520154551.db2.gz BQLZILGEHNYTRN-MRXNPFEDSA-N 2 0 283.460 1.011 10 0 CDAERP CCO[C@H](C[NH3+])CC[N@H+](Cc1ccco1)C1CC1 ZINC000062741172 520516110 /nfs/dbraw/zinc/51/61/10/520516110.db2.gz MUWFGGLADWYCBL-ZDUSSCGKSA-N 2 0 252.358 1.998 10 0 CDAERP CCO[C@H](C[NH3+])CC[N@H+](CCOC)C(CC)CC ZINC000062741160 520516618 /nfs/dbraw/zinc/51/66/18/520516618.db2.gz UNOYLMGWZZGFOZ-AWEZNQCLSA-N 2 0 260.422 1.877 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001438237971 1161971393 /nfs/dbraw/zinc/97/13/93/1161971393.db2.gz XQQGUZYJAOSLLJ-GJZGRUSLSA-N 2 0 281.444 1.802 10 0 CDAERP CCCCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001734065097 1183643787 /nfs/dbraw/zinc/64/37/87/1183643787.db2.gz LLDWCHWRDUZWCC-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)C[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]C1)[NH+](C)C ZINC000054308742 519209493 /nfs/dbraw/zinc/20/94/93/519209493.db2.gz PLKYYBOAGNXYPQ-KBPBESRZSA-N 2 0 269.433 1.469 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC[C@H](O)C[NH+]1CCCC1 ZINC000049555642 519340831 /nfs/dbraw/zinc/34/08/31/519340831.db2.gz VGKLNVFLOCLXTP-CABCVRRESA-N 2 0 271.449 1.009 10 0 CDAERP CC(C)CCCOC[C@@H](O)C[NH2+][C@H](C)CC[NH+](C)C ZINC000049557230 519642869 /nfs/dbraw/zinc/64/28/69/519642869.db2.gz IYCWLNXPZPLXLE-CABCVRRESA-N 2 0 274.449 1.730 10 0 CDAERP CC(C)[NH+]1CCN(C(=O)[C@@H]2[C@H](C)CCC[C@@H]2[NH3+])CC1 ZINC000055129245 519680198 /nfs/dbraw/zinc/68/01/98/519680198.db2.gz VPNBKQRRNSTQAV-HZSPNIEDSA-N 2 0 267.417 1.303 10 0 CDAERP CC(C)[NH2+]C[C@H](C)N1CC[NH+](C2CCCC2)CC1 ZINC000052573452 519724898 /nfs/dbraw/zinc/72/48/98/519724898.db2.gz RUFFWGBKDQGJHD-AWEZNQCLSA-N 2 0 253.434 1.933 10 0 CDAERP CC(C)C[NH+]1CCN([C@H](c2ccccn2)[C@@H](C)[NH3+])CC1 ZINC000055077247 519728066 /nfs/dbraw/zinc/72/80/66/519728066.db2.gz UVGJEEGPRJLZAQ-ZBFHGGJFSA-N 2 0 276.428 1.744 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)[C@@H](C)C[NH2+]CC)CC1 ZINC000061266331 519843498 /nfs/dbraw/zinc/84/34/98/519843498.db2.gz OADKXSJAIIKQIA-ZDUSSCGKSA-N 2 0 269.433 1.565 10 0 CDAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCN1CCOCC1 ZINC000054627968 519910532 /nfs/dbraw/zinc/91/05/32/519910532.db2.gz KQAWXEXOXRXCGU-MQVJKMGUSA-N 2 0 281.444 1.314 10 0 CDAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCCC[C@@H]1O ZINC000054628644 519911276 /nfs/dbraw/zinc/91/12/76/519911276.db2.gz ZAJVRALHYNIDOM-ZKXZWOTCSA-N 2 0 252.402 1.895 10 0 CDAERP CC[NH2+]CCCC[NH+]1CCN(c2nccs2)CC1 ZINC000052417603 519919428 /nfs/dbraw/zinc/91/94/28/519919428.db2.gz RYCZZACNLJGLCV-UHFFFAOYSA-N 2 0 268.430 1.655 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@@H](CN2CC[NH+](CC)CC2)O1 ZINC000052422496 519937950 /nfs/dbraw/zinc/93/79/50/519937950.db2.gz AQKIDZLNLQPIPG-CABCVRRESA-N 2 0 269.433 1.171 10 0 CDAERP CC[NH2+]C[C@@](C)(CN1CC[NH+](C)CC1)c1ccccc1 ZINC000051209199 519958317 /nfs/dbraw/zinc/95/83/17/519958317.db2.gz GHMLKXCRTHQTJY-KRWDZBQOSA-N 2 0 275.440 1.801 10 0 CDAERP CC[NH2+]Cc1ccoc1C[N@H+](C)C1CCOCC1 ZINC000052481148 520010386 /nfs/dbraw/zinc/01/03/86/520010386.db2.gz KBEQQUWJMCZLJE-UHFFFAOYSA-N 2 0 252.358 2.000 10 0 CDAERP CC[NH2+]Cc1ccoc1CN1CCC([NH+](C)C)CC1 ZINC000052477613 520011182 /nfs/dbraw/zinc/01/11/82/520011182.db2.gz BJSBWVKYSCBLRP-UHFFFAOYSA-N 2 0 265.401 1.915 10 0 CDAERP CC[NH2+]Cc1cn(CC[N@H+](C)CCC(C)C)nn1 ZINC000052545880 520013973 /nfs/dbraw/zinc/01/39/73/520013973.db2.gz HXUXNUOSESYOTQ-UHFFFAOYSA-N 2 0 253.394 1.366 10 0 CDAERP CC[NH2+]Cc1ccoc1COC1CC[NH+](C)CC1 ZINC000052596600 520014040 /nfs/dbraw/zinc/01/40/40/520014040.db2.gz ZQCZCIMDVGOSNW-UHFFFAOYSA-N 2 0 252.358 2.000 10 0 CDAERP CCC[NH2+][C@H](CN1CC[NH+](C2CC2)CC1)C1CC1 ZINC000069074268 520082554 /nfs/dbraw/zinc/08/25/54/520082554.db2.gz GRAYWIKSUYAVKW-OAHLLOKOSA-N 2 0 251.418 1.545 10 0 CDAERP CC[NH2+][C@H]1CCOC[C@H]1N1CC[C@H]([NH+](CC)CC)C1 ZINC000062978949 520217350 /nfs/dbraw/zinc/21/73/50/520217350.db2.gz YQBASUVLOIJHBI-SOUVJXGZSA-N 2 0 269.433 1.170 10 0 CDAERP CC[NH+](CC)CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000236837049 520568401 /nfs/dbraw/zinc/56/84/01/520568401.db2.gz GTYJAVMHWSCEAQ-FUNVUKJBSA-N 2 0 253.390 1.070 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@H]1CCC[C@@H](C)[C@@H]1[NH3+] ZINC000055123414 520618673 /nfs/dbraw/zinc/61/86/73/520618673.db2.gz WIGKJZSKCJYOFW-RDBSUJKOSA-N 2 0 269.433 1.598 10 0 CDAERP CC[NH+](CC)CCNC(=O)[C@@H]1CCC[C@@H]([NH3+])[C@@H]1C ZINC000055122982 520678318 /nfs/dbraw/zinc/67/83/18/520678318.db2.gz WPFZEPVKGJNZRP-JHJVBQTASA-N 2 0 255.406 1.208 10 0 CDAERP CCC[C@@H](C[NH3+])C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062976493 520704758 /nfs/dbraw/zinc/70/47/58/520704758.db2.gz DEKDKIXPKWKBNU-STQMWFEESA-N 2 0 253.390 1.058 10 0 CDAERP CC[N@H+](CC1(C[NH2+]C2CC2)CCOCC1)[C@@H](C)COC ZINC000052182337 520937916 /nfs/dbraw/zinc/93/79/16/520937916.db2.gz WVCYLXKPNCNBFL-AWEZNQCLSA-N 2 0 284.444 1.892 10 0 CDAERP CC1CCC([NH2+]CCN2CC[NH+](C3CC3)CC2)CC1 ZINC000053446196 520952972 /nfs/dbraw/zinc/95/29/72/520952972.db2.gz PEXHBLJQTVSCEF-UHFFFAOYSA-N 2 0 265.445 1.935 10 0 CDAERP CC1CC[NH+](CCNC(=O)[C@@H]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000055162017 521013641 /nfs/dbraw/zinc/01/36/41/521013641.db2.gz HZPPATMJHWTRLH-HUUCEWRRSA-N 2 0 281.444 1.600 10 0 CDAERP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000356314111 521357774 /nfs/dbraw/zinc/35/77/74/521357774.db2.gz ZDXATHBHDUWTEE-KGLIPLIRSA-N 2 0 299.459 1.380 10 0 CDAERP CC[NH+]1CCC(N(C)Cc2cc(C[NH3+])co2)CC1 ZINC000052544024 521563925 /nfs/dbraw/zinc/56/39/25/521563925.db2.gz GEGVWIBTADMCJN-UHFFFAOYSA-N 2 0 251.374 1.654 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000226407148 521608195 /nfs/dbraw/zinc/60/81/95/521608195.db2.gz RDYCNYRYQCXDQW-QWHCGFSZSA-N 2 0 255.406 1.352 10 0 CDAERP CCC[NH+](CCC)CCCNC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261602444 521645707 /nfs/dbraw/zinc/64/57/07/521645707.db2.gz ABBRGLWDIQTFDV-OAHLLOKOSA-N 2 0 299.459 1.369 10 0 CDAERP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055077716 521944335 /nfs/dbraw/zinc/94/43/35/521944335.db2.gz XXZZGAUARDMGFD-AVGNSLFASA-N 2 0 255.406 1.303 10 0 CDAERP C[NH2+]C1C[C@H]2CC[C@@H](C1)N2[C@@H](C[NH+](C)C)C(C)C ZINC000054629125 521956875 /nfs/dbraw/zinc/95/68/75/521956875.db2.gz DPSALCVAXVUROE-DKUMPPAJSA-N 2 0 253.434 1.787 10 0 CDAERP C[NH2+]CC1(C[N@@H+]2CCCC[C@@H]2CCO)CCOCC1 ZINC000052181067 521970289 /nfs/dbraw/zinc/97/02/89/521970289.db2.gz CZBLUESMGNXKLZ-CQSZACIVSA-N 2 0 270.417 1.240 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000052444178 522063713 /nfs/dbraw/zinc/06/37/13/522063713.db2.gz NXXDXYPJYJCGRG-GFCCVEGCSA-N 2 0 267.421 1.897 10 0 CDAERP C[NH2+]Cc1cc(CN2CCC[N@H+](C)CC2)c(C)o1 ZINC000052424392 522106016 /nfs/dbraw/zinc/10/60/16/522106016.db2.gz KWFQWYHHQDRQLX-UHFFFAOYSA-N 2 0 251.374 1.445 10 0 CDAERP C[NH2+]Cc1ccc(CN2CC[NH+](C(C)C)CC2)o1 ZINC000052480032 522116199 /nfs/dbraw/zinc/11/61/99/522116199.db2.gz QHWWERZDJXJGBL-UHFFFAOYSA-N 2 0 251.374 1.525 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(Cc2occc2C[NH3+])CC1 ZINC000055073647 522126230 /nfs/dbraw/zinc/12/62/30/522126230.db2.gz CLYSXSLVFPJEPI-GFCCVEGCSA-N 2 0 251.374 1.654 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(c2ncc(C[NH3+])s2)CC1 ZINC000055076295 522137891 /nfs/dbraw/zinc/13/78/91/522137891.db2.gz CYYGAEYKZSMSNN-SNVBAGLBSA-N 2 0 254.403 1.522 10 0 CDAERP CN(CC1CC[NH+](C)CC1)c1ncc(C[NH3+])cc1Cl ZINC000063122233 522660450 /nfs/dbraw/zinc/66/04/50/522660450.db2.gz MPPOPLWEMYKPKD-UHFFFAOYSA-N 2 0 282.819 1.972 10 0 CDAERP COCCC[N@H+](CCOC)C[C@@H](C)C[NH2+]C(C)C ZINC000052543218 523254360 /nfs/dbraw/zinc/25/43/60/523254360.db2.gz NGRLOWJJDJHWPG-AWEZNQCLSA-N 2 0 260.422 1.605 10 0 CDAERP COCCC[N@H+](CCOC)Cc1cc(C[NH3+])c(C)o1 ZINC000052543244 523255638 /nfs/dbraw/zinc/25/56/38/523255638.db2.gz PJUYJPQJQYGQQI-UHFFFAOYSA-N 2 0 270.373 1.532 10 0 CDAERP COCCC[N@H+](CCOC)C[C@H](C)C[NH2+]C1CC1 ZINC000052543220 523255742 /nfs/dbraw/zinc/25/57/42/523255742.db2.gz QFSJJUDMFHCNSD-CYBMUJFWSA-N 2 0 258.406 1.359 10 0 CDAERP CCn1nccc1CC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000338548576 523711525 /nfs/dbraw/zinc/71/15/25/523711525.db2.gz JXAWYVGZGAAQEP-CQSZACIVSA-N 2 0 264.417 1.719 10 0 CDAERP CN(C(=O)CC[C@H]1CCCC[NH2+]1)C1CC[NH+](C)CC1 ZINC000050939890 523807717 /nfs/dbraw/zinc/80/77/17/523807717.db2.gz QXGOFEWDWUCSLZ-CYBMUJFWSA-N 2 0 267.417 1.461 10 0 CDAERP CC[C@H](C)[NH+]1CCN(CC[NH2+][C@H](C)COC)CC1 ZINC000055075567 523953912 /nfs/dbraw/zinc/95/39/12/523953912.db2.gz ZPLVJWDCHXNHHN-KGLIPLIRSA-N 2 0 257.422 1.027 10 0 CDAERP CC[C@H](C)[NH+]1CCN([C@H](c2cnn(C)c2)[C@@H](C)[NH3+])CC1 ZINC000055063670 523959413 /nfs/dbraw/zinc/95/94/13/523959413.db2.gz USAOHAHSKTUAQA-GUTXKFCHSA-N 2 0 279.432 1.225 10 0 CDAERP C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH2+]2)[C@H]1c1ccccc1 ZINC000246003830 523986117 /nfs/dbraw/zinc/98/61/17/523986117.db2.gz SCPSDECTGQWNJB-RRFJBIMHSA-N 2 0 273.380 1.300 10 0 CDAERP COc1ccc(C[NH3+])cc1CN1CC[NH+](CC(C)C)CC1 ZINC000055078665 524016513 /nfs/dbraw/zinc/01/65/13/524016513.db2.gz FNXDWZRDSAPAQF-UHFFFAOYSA-N 2 0 291.439 1.928 10 0 CDAERP C[C@H](CC[NH+](C)C)[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC000049557134 524162822 /nfs/dbraw/zinc/16/28/22/524162822.db2.gz ISTRDLDJDPTKJQ-TZMCWYRMSA-N 2 0 284.375 1.495 10 0 CDAERP C[C@H]1CCC[C@H](C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)[C@@H]1[NH3+] ZINC000055131557 524177003 /nfs/dbraw/zinc/17/70/03/524177003.db2.gz GCYKZPCCWBJEKS-RFQIPJPRSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)NCC(C)(C)C[NH+](C)C ZINC000055125308 524391024 /nfs/dbraw/zinc/39/10/24/524391024.db2.gz RPVXPOSZJICGSA-FRRDWIJNSA-N 2 0 269.433 1.454 10 0 CDAERP Cc1cccc(N2CC[NH+](CC3(O)CC[NH2+]CC3)CC2)c1 ZINC000051015858 524552313 /nfs/dbraw/zinc/55/23/13/524552313.db2.gz KFOQFJSYCDRHNE-UHFFFAOYSA-N 2 0 289.423 1.232 10 0 CDAERP C[C@@H]1CC[C@@H](C(=O)N2CC[NH+](C(C)(C)C)CC2)C[C@@H]1[NH3+] ZINC000055141056 524554699 /nfs/dbraw/zinc/55/46/99/524554699.db2.gz RADJIWTVCZQUPJ-MCIONIFRSA-N 2 0 281.444 1.693 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1[C@@H](C)CCC[C@@H]1[NH3+] ZINC000055141916 524604169 /nfs/dbraw/zinc/60/41/69/524604169.db2.gz RFNXNMIODVETCW-ZQDZILKHSA-N 2 0 281.444 1.741 10 0 CDAERP C[C@H]([NH3+])[C@H](N1CC[NH+](C2CCCC2)CC1)C(F)(F)F ZINC000052060430 524851224 /nfs/dbraw/zinc/85/12/24/524851224.db2.gz CGZSHVCASYYIMP-JQWIXIFHSA-N 2 0 279.350 1.825 10 0 CDAERP Cc1ccccc1C[N@H+](C)CCN1CCC[NH2+]CC1 ZINC000061275196 525128591 /nfs/dbraw/zinc/12/85/91/525128591.db2.gz KKSGHDXEDXJCLM-UHFFFAOYSA-N 2 0 261.413 1.722 10 0 CDAERP Cc1ccccc1[C@@H]([NH3+])CN1CCN(CC[NH+](C)C)CC1 ZINC000061643884 525368353 /nfs/dbraw/zinc/36/83/53/525368353.db2.gz HHUIRGIGSUAOIN-KRWDZBQOSA-N 2 0 290.455 1.174 10 0 CDAERP C[C@@H]1C[C@H]([NH3+])CC[C@@H]1C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000061656215 525418787 /nfs/dbraw/zinc/41/87/87/525418787.db2.gz XGQMKZPPBZPJFM-SYQHCUMBSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@@H]([NH2+]CCN1CCC[C@@H]1C[NH+](C)C)c1ccco1 ZINC000061655095 525448727 /nfs/dbraw/zinc/44/87/27/525448727.db2.gz PHMIQOCNIXQQOP-ZIAGYGMSSA-N 2 0 265.401 1.956 10 0 CDAERP C[C@H]([C@H]([NH3+])c1ccccc1)N1CCN(CC[NH+](C)C)CC1 ZINC000061643901 526031287 /nfs/dbraw/zinc/03/12/87/526031287.db2.gz BLGBVDSFYSJVQV-WBVHZDCISA-N 2 0 290.455 1.254 10 0 CDAERP NC(=[NH2+])c1cc(C[N@@H+]2CCCSCC2)ccn1 ZINC000068761353 526819345 /nfs/dbraw/zinc/81/93/45/526819345.db2.gz ONQMJIHUYFYYBE-UHFFFAOYSA-N 2 0 250.371 1.305 10 0 CDAERP NC(=[NH2+])c1ncccc1C[N@H+](CCO)C1CCCCC1 ZINC000061658264 526823983 /nfs/dbraw/zinc/82/39/83/526823983.db2.gz CGTSAHICRNJYCZ-UHFFFAOYSA-N 2 0 276.384 1.493 10 0 CDAERP [NH3+]CCCCC[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000052815659 527173629 /nfs/dbraw/zinc/17/36/29/527173629.db2.gz HBBDAGOOAKSCMV-UHFFFAOYSA-N 2 0 263.389 1.118 10 0 CDAERP NNc1[nH+]cccc1CN1CCC([NH+]2CCCCC2)CC1 ZINC000052718823 527288350 /nfs/dbraw/zinc/28/83/50/527288350.db2.gz PSEOZUVLNJFHSV-UHFFFAOYSA-N 2 0 289.427 1.818 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CNC(=O)NCC[C@@H]2CCC[NH2+]C2)C1 ZINC000417244980 534941365 /nfs/dbraw/zinc/94/13/65/534941365.db2.gz XTUKXUMGFCUEEW-GJZGRUSLSA-N 2 0 296.459 1.407 10 0 CDAERP CCOc1ccccc1C[NH2+][C@H](CCC[NH3+])COC ZINC000422730093 535512855 /nfs/dbraw/zinc/51/28/55/535512855.db2.gz CZRLUXGFFIAUGS-CQSZACIVSA-N 2 0 266.385 1.929 10 0 CDAERP C[NH+](C)CCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000093453029 535831805 /nfs/dbraw/zinc/83/18/05/535831805.db2.gz HVHGGEWFRZNCGM-ZNMIVQPWSA-N 3 0 253.434 1.839 10 0 CDAERP CCc1cnc(C[NH2+][C@H](CCC[NH3+])COC)s1 ZINC000234153350 536053515 /nfs/dbraw/zinc/05/35/15/536053515.db2.gz ZGQLTMUTGBXZSZ-SNVBAGLBSA-N 2 0 257.403 1.549 10 0 CDAERP CC[C@H]([NH3+])CNC(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000418736354 536141645 /nfs/dbraw/zinc/14/16/45/536141645.db2.gz UOSPRVVHAYDSRY-AWEZNQCLSA-N 2 0 284.448 1.487 10 0 CDAERP C[NH2+]CCc1ccccc1C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000422541469 536447044 /nfs/dbraw/zinc/44/70/44/536447044.db2.gz OHZFZGOLMOZSKZ-ZDUSSCGKSA-N 2 0 297.349 1.176 10 0 CDAERP COC(OC)[C@H](C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000079608337 536510760 /nfs/dbraw/zinc/51/07/60/536510760.db2.gz GNVNBKFEGHWOFP-LBPRGKRZSA-N 2 0 279.384 1.647 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](C1CCCCC1)N(C)C ZINC000422888277 536850923 /nfs/dbraw/zinc/85/09/23/536850923.db2.gz CNAVHWRUHQPGHO-HOTGVXAUSA-N 2 0 285.476 1.840 10 0 CDAERP C[C@@H]([NH2+]C/C=C\C[NH2+][C@@H](C)[C@H]1CCCO1)[C@@H]1CCCO1 ZINC000348191435 538251142 /nfs/dbraw/zinc/25/11/42/538251142.db2.gz GHADRDBZKZXJQV-XZBYNNTFSA-N 2 0 282.428 1.857 10 0 CDAERP CCOC(=O)[C@H]1C[NH2+]CC12CC[NH+](CC(C)C)CC2 ZINC000757183363 574901290 /nfs/dbraw/zinc/90/12/90/574901290.db2.gz BMBIGCOWMWDPNH-CYBMUJFWSA-N 2 0 268.401 1.507 10 0 CDAERP COC(=O)[C@@H]1C[NH2+]CC12CC[NH+](CC(C)C)CC2 ZINC000757184872 574901583 /nfs/dbraw/zinc/90/15/83/574901583.db2.gz NEDVPHCEMQESOH-LBPRGKRZSA-N 2 0 254.374 1.117 10 0 CDAERP Cc1nn(C)c2sc([C@@H]3[NH2+]C[C@@H](C)C[C@@H]3N)cc12 ZINC000757212938 574906543 /nfs/dbraw/zinc/90/65/43/574906543.db2.gz KDUQLAKXLPXIKL-VIRWGQHYSA-N 2 0 264.398 1.941 10 0 CDAERP C[C@H]1C[C@@H](N(C)C(=S)NCCC[NH+](C)C)CC[N@@H+]1C ZINC000741487678 576561472 /nfs/dbraw/zinc/56/14/72/576561472.db2.gz KKWLXPHXNPCMHP-STQMWFEESA-N 2 0 286.489 1.227 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CCF ZINC001689802061 1175262496 /nfs/dbraw/zinc/26/24/96/1175262496.db2.gz KPOCPBFULRCANH-ZDUSSCGKSA-N 2 0 273.396 1.267 10 0 CDAERP C[N@H+](CCCNC(=O)CC[C@H]1CCC[NH+]1C)CC1CC1 ZINC001689807955 1175263803 /nfs/dbraw/zinc/26/38/03/1175263803.db2.gz NIFLVVDTNTVNLZ-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP CC[N@H+](C)CCCNC(=O)C[NH+](C)CC(C)(C)C ZINC001689841107 1175281654 /nfs/dbraw/zinc/28/16/54/1175281654.db2.gz YLIDXZSEAVXTSL-UHFFFAOYSA-N 2 0 257.422 1.422 10 0 CDAERP CC[NH+]1CCC2(C[C@H]2NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001690131364 1175383145 /nfs/dbraw/zinc/38/31/45/1175383145.db2.gz QPHJKYFFGZSLJG-CYBMUJFWSA-N 2 0 267.417 1.317 10 0 CDAERP CC[NH+]1CCC(CC[NH2+]C[C@@H](O)CC(C)(C)O)CC1 ZINC000872204135 620697889 /nfs/dbraw/zinc/69/78/89/620697889.db2.gz JQMJXSWIVMNERE-AWEZNQCLSA-N 2 0 272.433 1.220 10 0 CDAERP OCCC1(C[NH2+][C@@H]2CC[NH2+]C23CCC3)CCCC1 ZINC000925527652 617454498 /nfs/dbraw/zinc/45/44/98/617454498.db2.gz PIGBBVRFCZKHEM-CYBMUJFWSA-N 2 0 252.402 1.803 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)CCCCC[NH3+])CC[N@@H+]1C ZINC000155782787 617468058 /nfs/dbraw/zinc/46/80/58/617468058.db2.gz DYJAYJMVUSQBGB-CHWSQXEVSA-N 2 0 255.406 1.447 10 0 CDAERP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1CC[C@@H](CO)CC1)[NH2+]2 ZINC000925606160 617549147 /nfs/dbraw/zinc/54/91/47/617549147.db2.gz HMCRUVXYHNANIE-YRKSKIDTSA-N 2 0 252.402 1.656 10 0 CDAERP CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925612687 617557105 /nfs/dbraw/zinc/55/71/05/617557105.db2.gz TWMUBWIGIDRQOE-SPWCGHHHSA-N 2 0 286.485 1.857 10 0 CDAERP Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925630208 617576746 /nfs/dbraw/zinc/57/67/46/617576746.db2.gz OJGDDVWLSPTNSQ-LSDHHAIUSA-N 2 0 276.428 1.829 10 0 CDAERP C[N@@H+]1C[C@@H]2CN(C[C@@](C)(O)c3ccc(F)cc3)C[C@]2(C)C1 ZINC000933734775 617601069 /nfs/dbraw/zinc/60/10/69/617601069.db2.gz RKXBNTIRTGLGAQ-HYVNUMGLSA-N 2 0 292.398 1.917 10 0 CDAERP CO[C@@H](C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)C1CC1 ZINC000925676110 617636918 /nfs/dbraw/zinc/63/69/18/617636918.db2.gz PMZGSPZWXUGOLC-RFGFWPKPSA-N 2 0 252.402 1.778 10 0 CDAERP Cc1nccnc1CC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925676857 617643056 /nfs/dbraw/zinc/64/30/56/617643056.db2.gz TZLPPMJFCJAYPD-OLZOCXBDSA-N 2 0 262.401 1.823 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000925796934 617724856 /nfs/dbraw/zinc/72/48/56/617724856.db2.gz MIVVXDOHFKCSNM-MQYQWHSLSA-N 2 0 288.457 1.177 10 0 CDAERP C1=C(C[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)CC[NH2+]C1 ZINC000925698503 617735052 /nfs/dbraw/zinc/73/50/52/617735052.db2.gz KFBHTVRUYIKURX-SOUVJXGZSA-N 2 0 250.386 1.701 10 0 CDAERP CC1(C)[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925697971 617735663 /nfs/dbraw/zinc/73/56/63/617735663.db2.gz BQNFJVBJEGOUIQ-XGFWRYKXSA-N 2 0 251.418 1.623 10 0 CDAERP CC1(C)[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925708691 617799255 /nfs/dbraw/zinc/79/92/55/617799255.db2.gz SFCJFDQCAYCHLN-SDSMMKDESA-N 3 0 277.456 1.741 10 0 CDAERP COC1CCC([NH2+]CCCCCN2CC[NH2+]CC2)CC1 ZINC000925846679 617881816 /nfs/dbraw/zinc/88/18/16/617881816.db2.gz XLWCBCUYJJCEOJ-UHFFFAOYSA-N 2 0 283.460 1.609 10 0 CDAERP C[C@@H]([NH3+])[C@H]1COCC[C@H]1[NH2+][C@@H]1CCS[C@H](C)C1 ZINC000925861463 617902253 /nfs/dbraw/zinc/90/22/53/617902253.db2.gz PXVHTWZDLRHMQV-SYLRKERUSA-N 2 0 258.431 1.612 10 0 CDAERP C[C@H](NCCc1cccc2c1OCCO2)[C@H]1CCC[NH2+]1 ZINC000925874033 617939466 /nfs/dbraw/zinc/93/94/66/617939466.db2.gz GSEYDHVOKVBMNT-GXTWGEPZSA-N 2 0 276.380 1.730 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925883097 617970025 /nfs/dbraw/zinc/97/00/25/617970025.db2.gz VNDKBAAJEOTVFT-DARAHFNDSA-N 3 0 261.413 1.761 10 0 CDAERP C[N@H+](C[C@H]1CCC2(COC2)O1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000930459605 618170671 /nfs/dbraw/zinc/17/06/71/618170671.db2.gz IHJPRBRJHUDQFQ-IZGVIRRGSA-N 2 0 280.412 1.491 10 0 CDAERP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)C1 ZINC000924965019 618470338 /nfs/dbraw/zinc/47/03/38/618470338.db2.gz MWDIOYBTUKXPFH-XUWVNRHRSA-N 2 0 291.439 1.518 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)[C@H](O)c1ccc2c(c1)OCO2 ZINC000817926870 618490508 /nfs/dbraw/zinc/49/05/08/618490508.db2.gz BMOGCKKPHOJKEZ-MKBNYLNASA-N 2 0 294.395 1.944 10 0 CDAERP COC(=O)[C@@H]1[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1(F)F ZINC000894912788 619139845 /nfs/dbraw/zinc/13/98/45/619139845.db2.gz XQBNYIFQELUCLT-YAXHFPQCSA-N 2 0 288.338 1.256 10 0 CDAERP CC(C)(O)C[NH+]1CCC([NH2+]CC2CSC2)CC1 ZINC000895423749 619662659 /nfs/dbraw/zinc/66/26/59/619662659.db2.gz VALOERCFVJWZHZ-UHFFFAOYSA-N 2 0 258.431 1.174 10 0 CDAERP C[NH+](C)CCOc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)cc1 ZINC000895647357 619774519 /nfs/dbraw/zinc/77/45/19/619774519.db2.gz KPPPTQLCYJXZNK-GDBMZVCRSA-N 2 0 276.380 1.194 10 0 CDAERP C[C@@H]1CCN(CC[NH2+][C@@H]2CCOC23CCOCC3)C1 ZINC000925198929 620550511 /nfs/dbraw/zinc/55/05/11/620550511.db2.gz YVWOVSNVMVPIGY-ZIAGYGMSSA-N 2 0 268.401 1.256 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000925240326 620608976 /nfs/dbraw/zinc/60/89/76/620608976.db2.gz IOILESLYFWUFTG-YHNBSYBMSA-N 2 0 284.444 1.890 10 0 CDAERP COC[C@@H](CCO)[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000902814828 625468502 /nfs/dbraw/zinc/46/85/02/625468502.db2.gz QVCRYYBPBOGOCN-UKRRQHHQSA-N 2 0 289.379 1.920 10 0 CDAERP c1cc(C[NH2+][C@H]2COC[C@H]2C2CC2)n(-c2cc[nH+]cc2)n1 ZINC000898374952 621520446 /nfs/dbraw/zinc/52/04/46/621520446.db2.gz AYHGBXSQLKVUPG-HOTGVXAUSA-N 2 0 284.363 1.782 10 0 CDAERP C(C1CC1)[NH+]1CCC([NH2+][C@@H]2CCOC23CCOCC3)CC1 ZINC000924713796 621696253 /nfs/dbraw/zinc/69/62/53/621696253.db2.gz TWTLFWUONSVLQT-MRXNPFEDSA-N 2 0 294.439 1.789 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[NH+](C)[C@@H](C(C)(C)C)C2)C1 ZINC000898384439 621720334 /nfs/dbraw/zinc/72/03/34/621720334.db2.gz RWLRGMKIHHFZJY-ZIAGYGMSSA-N 2 0 281.444 1.517 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC000900524255 623155780 /nfs/dbraw/zinc/15/57/80/623155780.db2.gz XYWFJPWJEBJZQT-KKUMJFAQSA-N 2 0 281.444 1.850 10 0 CDAERP CC(C)CN(C(=O)C12CC[NH+](CC1)C2)C1CC[NH+](C)CC1 ZINC000900693761 623351392 /nfs/dbraw/zinc/35/13/92/623351392.db2.gz BPYMPRMXJPJCJQ-UHFFFAOYSA-N 2 0 293.455 1.661 10 0 CDAERP CCn1ncc(CON=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC000902614504 625028392 /nfs/dbraw/zinc/02/83/92/625028392.db2.gz YLVSFJQDXVYWQR-VGPLMAKISA-N 2 0 292.387 1.169 10 0 CDAERP CCCn1cc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)nn1 ZINC000903043267 625794171 /nfs/dbraw/zinc/79/41/71/625794171.db2.gz TYMOFRYHZCDFLQ-UPJWGTAASA-N 2 0 265.405 1.679 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C)[C@H]2C)[C@H](C)C1 ZINC000903301875 625961376 /nfs/dbraw/zinc/96/13/76/625961376.db2.gz WLXYXDKSNQRFEX-LTIDMASMSA-N 2 0 297.487 1.806 10 0 CDAERP CO[C@@]1(C)C[C@H]([N@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)C1(C)C ZINC000903441366 625992939 /nfs/dbraw/zinc/99/29/39/625992939.db2.gz PDBXKYDFAGUNDR-OSFYFWSMSA-N 2 0 254.418 1.977 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)C1 ZINC000903445258 625998949 /nfs/dbraw/zinc/99/89/49/625998949.db2.gz HSZPLJUHLQJISP-YJNKXOJESA-N 3 0 251.418 1.578 10 0 CDAERP COC[C@H](C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+])C(C)C ZINC000903449495 626000192 /nfs/dbraw/zinc/00/01/92/626000192.db2.gz DXJXEYYBBLUZEN-LSDHHAIUSA-N 2 0 299.459 1.225 10 0 CDAERP C(CN[C@H]1CC[NH2+]C12CCC2)C[NH+]1CCCCC1 ZINC000903473036 626004427 /nfs/dbraw/zinc/00/44/27/626004427.db2.gz ZBPRZSTVRVSHMR-AWEZNQCLSA-N 2 0 251.418 1.737 10 0 CDAERP C[N@H+](CCOCC[NH3+])C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000903474967 626004963 /nfs/dbraw/zinc/00/49/63/626004963.db2.gz WSJRNKAOMMDJBX-ZIAGYGMSSA-N 2 0 284.350 1.942 10 0 CDAERP CC[NH+](CC)CCCN[C@@H]1CC[NH2+]C12CCCC2 ZINC000903484041 626007128 /nfs/dbraw/zinc/00/71/28/626007128.db2.gz OIXLQPUQGZJZIJ-CQSZACIVSA-N 2 0 253.434 1.983 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC[C@@H]1CCCCO1)C2 ZINC000903493179 626011219 /nfs/dbraw/zinc/01/12/19/626011219.db2.gz NYPCBOPQZQUECL-FQLMCAECSA-N 2 0 296.411 1.158 10 0 CDAERP C[C@@H]1C[N@@H+]([C@@H]2CCN(c3ccccc3)C2=O)C[C@H]1CC[NH3+] ZINC000903496086 626011862 /nfs/dbraw/zinc/01/18/62/626011862.db2.gz DZRGSPZSUQDHNX-IIAWOOMASA-N 2 0 287.407 1.709 10 0 CDAERP Cc1cccc(CNC(=O)C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000903497017 626012233 /nfs/dbraw/zinc/01/22/33/626012233.db2.gz NIEHZWRWAUQFMW-GDBMZVCRSA-N 2 0 289.423 1.528 10 0 CDAERP [NH3+][C@H]1CN(CCC2CC[NH2+]CC2)CC[C@@H]1C(F)(F)F ZINC000903542122 626016435 /nfs/dbraw/zinc/01/64/35/626016435.db2.gz ZHKLKLMEPQRXEM-RYUDHWBXSA-N 2 0 279.350 1.588 10 0 CDAERP C(C1CC1)[C@@H]1COCC[N@@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903788052 626094654 /nfs/dbraw/zinc/09/46/54/626094654.db2.gz BCBRNSZMCFHSQV-OAGGEKHMSA-N 2 0 280.412 1.256 10 0 CDAERP C[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)[C@@H](CO)C(C)(C)C ZINC000903897278 626136935 /nfs/dbraw/zinc/13/69/35/626136935.db2.gz GRMFQYXBEYQAOM-JSGCOSHPSA-N 2 0 295.431 1.041 10 0 CDAERP CC(C)OC(=O)[C@@H](C)[N@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903898470 626137449 /nfs/dbraw/zinc/13/74/49/626137449.db2.gz NIHJFVBNFAMJBD-RLAWYHOSSA-N 2 0 268.401 1.789 10 0 CDAERP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000903902458 626139482 /nfs/dbraw/zinc/13/94/82/626139482.db2.gz GXGNWNVPAUAPGH-MQVJKMGUSA-N 2 0 294.439 1.646 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[NH2+]CC2(C)CCC2)cnn1C ZINC000903925970 626148500 /nfs/dbraw/zinc/14/85/00/626148500.db2.gz QGYHUANBRLUTTF-CYBMUJFWSA-N 2 0 264.417 1.626 10 0 CDAERP OCC1([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCSCC1 ZINC000903930270 626151038 /nfs/dbraw/zinc/15/10/38/626151038.db2.gz WBMVVAWLKFPMKQ-YHWZYXNKSA-N 2 0 270.442 1.365 10 0 CDAERP [NH3+][C@H](CC(F)F)CN1CCCCCCNC(=O)CC1 ZINC000903935958 626153987 /nfs/dbraw/zinc/15/39/87/626153987.db2.gz WQQOGXTUHHJZHB-LLVKDONJSA-N 2 0 277.359 1.351 10 0 CDAERP NC(=O)c1ccc(CNC[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000903955068 626166695 /nfs/dbraw/zinc/16/66/95/626166695.db2.gz JWZCKUTZSFQCCV-LBPRGKRZSA-N 2 0 283.322 1.120 10 0 CDAERP C[NH+](C)[C@@H](CNC(=[NH2+])NC[C@@H]1CCCS1)C1CC1 ZINC000905043143 626382047 /nfs/dbraw/zinc/38/20/47/626382047.db2.gz TUWPWNIWYFGYBN-RYUDHWBXSA-N 2 0 270.446 1.336 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=[NH2+])NC[C@H]2CCCS2)C1 ZINC000905049329 626386164 /nfs/dbraw/zinc/38/61/64/626386164.db2.gz QRWJCZLQELJINL-ZIAGYGMSSA-N 2 0 298.500 1.974 10 0 CDAERP O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000911582117 629338991 /nfs/dbraw/zinc/33/89/91/629338991.db2.gz LSCQOAIFCFYFHL-WCVJEAGWSA-N 2 0 291.439 1.746 10 0 CDAERP C[NH+]1C[C@@]2(C)CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@@]2(C)C1 ZINC000913273891 630426948 /nfs/dbraw/zinc/42/69/48/630426948.db2.gz ICVXJIBEYQLPCC-CWRNSKLLSA-N 2 0 279.428 1.128 10 0 CDAERP C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@@]2(C)C1 ZINC000913282758 630433308 /nfs/dbraw/zinc/43/33/08/630433308.db2.gz JXADDPYKPITLIC-CWRNSKLLSA-N 2 0 279.428 1.271 10 0 CDAERP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000914315210 631336215 /nfs/dbraw/zinc/33/62/15/631336215.db2.gz NGPHZSROMXRRLB-CABCVRRESA-N 2 0 296.459 1.452 10 0 CDAERP CCC[NH+](CCC)CCCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000916554183 632013624 /nfs/dbraw/zinc/01/36/24/632013624.db2.gz FGLHUVLEDWBSRS-HUUCEWRRSA-N 2 0 298.475 1.890 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)CC=C(C)C ZINC001691000542 1158524512 /nfs/dbraw/zinc/52/45/12/1158524512.db2.gz KIOAPSATWNUFRW-HNNXBMFYSA-N 2 0 281.444 1.875 10 0 CDAERP CC(C)OCCC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001670724903 1158728574 /nfs/dbraw/zinc/72/85/74/1158728574.db2.gz RDYGBKWKTHZTEQ-OAHLLOKOSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)CC[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001691317282 1159014266 /nfs/dbraw/zinc/01/42/66/1159014266.db2.gz QZJHAEJLDHIGBW-HNNXBMFYSA-N 2 0 283.460 1.953 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)CC[NH2+]CC1CCCC1 ZINC001267005111 1159077762 /nfs/dbraw/zinc/07/77/62/1159077762.db2.gz SXLVOXIELRZOLO-UHFFFAOYSA-N 2 0 269.433 1.566 10 0 CDAERP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000250603713 1159272730 /nfs/dbraw/zinc/27/27/30/1159272730.db2.gz KSYMRLQUKLPYEJ-KBXIAJHMSA-N 2 0 279.428 1.365 10 0 CDAERP CCCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001733165298 1161069464 /nfs/dbraw/zinc/06/94/64/1161069464.db2.gz IQKKXPHMMTXPED-KBPBESRZSA-N 2 0 267.417 1.365 10 0 CDAERP CC1(C)[C@@H]([NH3+])c2ccccc2N1CCN1CC[NH2+]CC1 ZINC000866701934 1164812430 /nfs/dbraw/zinc/81/24/30/1164812430.db2.gz SEQUAVMLFQKYGS-HNNXBMFYSA-N 2 0 274.412 1.190 10 0 CDAERP C[NH+](C)[C@@H]1CCCN(C(=O)CCC23CC(C2)C[NH2+]3)C1 ZINC000870880046 1165225852 /nfs/dbraw/zinc/22/58/52/1165225852.db2.gz UTNLQCGPEFZMHI-JVWICGRDSA-N 2 0 265.401 1.071 10 0 CDAERP O=C(CCC12CC(C1)C[NH2+]2)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000870884368 1165228115 /nfs/dbraw/zinc/22/81/15/1165228115.db2.gz WOENAORYEBICHW-BBBYJDLNSA-N 2 0 277.412 1.119 10 0 CDAERP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000870973398 1165244461 /nfs/dbraw/zinc/24/44/61/1165244461.db2.gz UXZLVSROYAZMIR-RCSLCFTFSA-N 2 0 277.412 1.164 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NCC1(C)CC[NH+](C)CC1 ZINC001637025671 1166718573 /nfs/dbraw/zinc/71/85/73/1166718573.db2.gz YKRVOYDTNHZBIS-CYBMUJFWSA-N 2 0 269.433 1.422 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+]1CCCC[C@H]1C ZINC001646313642 1167768572 /nfs/dbraw/zinc/76/85/72/1167768572.db2.gz PPRMZVGXLXASHT-HUUCEWRRSA-N 2 0 281.444 1.850 10 0 CDAERP CC[C@H](C(=O)N1CC[C@H]([NH2+]CC=C(C)C)C1)[NH+](C)C ZINC001566767885 1168413655 /nfs/dbraw/zinc/41/36/55/1168413655.db2.gz YFFSTZZKDZAJLU-UONOGXRCSA-N 2 0 267.417 1.483 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](C[NH2+]CCF)C2)CC[N@@H+]1C ZINC001566893771 1168459363 /nfs/dbraw/zinc/45/93/63/1168459363.db2.gz OPDYZJACVSEUAH-QLFBSQMISA-N 2 0 299.434 1.514 10 0 CDAERP CC(C)OCC[NH2+][C@@H]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001567173511 1168605887 /nfs/dbraw/zinc/60/58/87/1168605887.db2.gz MTOCWLAQSPDQAT-CABCVRRESA-N 2 0 299.459 1.380 10 0 CDAERP CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001568075619 1169132481 /nfs/dbraw/zinc/13/24/81/1169132481.db2.gz FDSIAIONJHBIRR-LSDHHAIUSA-N 2 0 281.444 1.566 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)C1 ZINC001649868157 1169449597 /nfs/dbraw/zinc/44/95/97/1169449597.db2.gz XUIKSXXARVMMII-LXTVHRRPSA-N 2 0 296.459 1.499 10 0 CDAERP CC[NH2+]C/C=C/CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001568893795 1169537178 /nfs/dbraw/zinc/53/71/78/1169537178.db2.gz OUSHGBMEMNYRKL-BQYQJAHWSA-N 2 0 281.444 1.923 10 0 CDAERP C[N@H+](CC(=O)N1CCC[C@H]1C[NH2+]CCC1CC1)C1CCC1 ZINC001569543864 1169918906 /nfs/dbraw/zinc/91/89/06/1169918906.db2.gz OOKKOCOOFURRFS-INIZCTEOSA-N 2 0 293.455 1.851 10 0 CDAERP CN(C(=O)C1([NH+](C)C)CCC1)[C@H](C[NH2+]CCF)C1CC1 ZINC001571361605 1170386012 /nfs/dbraw/zinc/38/60/12/1170386012.db2.gz SAZDCXDTWLERRO-CYBMUJFWSA-N 2 0 285.407 1.267 10 0 CDAERP CC(C)=CC[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C ZINC001571568190 1170479348 /nfs/dbraw/zinc/47/93/48/1170479348.db2.gz FBJKHUMAHHBXPX-HNNXBMFYSA-N 2 0 293.455 1.875 10 0 CDAERP C[C@@H](O)CCC[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001655922820 1171744014 /nfs/dbraw/zinc/74/40/14/1171744014.db2.gz VMFDIMXCMGSGEO-OAGGEKHMSA-N 2 0 266.429 1.955 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001656176555 1171783580 /nfs/dbraw/zinc/78/35/80/1171783580.db2.gz YNVKGDVPMAPODV-MCIONIFRSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)C[C@H](C[NH2+]CCF)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001667117924 1173236756 /nfs/dbraw/zinc/23/67/56/1173236756.db2.gz GYXVAOZZOWFLNF-QWHCGFSZSA-N 2 0 273.396 1.028 10 0 CDAERP CC(C)OCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001669924644 1173631074 /nfs/dbraw/zinc/63/10/74/1173631074.db2.gz FCXCGJHBHHGDQT-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CCC[C@H]1C[NH2+]CCCCCF ZINC001671385320 1173679675 /nfs/dbraw/zinc/67/96/75/1173679675.db2.gz UBGRPBWFDMCHQS-HNNXBMFYSA-N 2 0 299.434 1.803 10 0 CDAERP CCCCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001671692687 1173704455 /nfs/dbraw/zinc/70/44/55/1173704455.db2.gz CTMDKKJGEGIKFI-HOCLYGCPSA-N 2 0 281.444 1.709 10 0 CDAERP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1C[N@H+](C)CC1(C)C ZINC001597314952 1174268877 /nfs/dbraw/zinc/26/88/77/1174268877.db2.gz VSQXEQMKGFGDOM-NEPJUHHUSA-N 2 0 269.433 1.610 10 0 CDAERP O=C(N1CCC[C@@H](C[NH2+]CCF)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC001690432238 1175470647 /nfs/dbraw/zinc/47/06/47/1175470647.db2.gz ZMJOUPTWVKEQPM-HOCLYGCPSA-N 2 0 297.418 1.270 10 0 CDAERP CCCCC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001690739123 1175559660 /nfs/dbraw/zinc/55/96/60/1175559660.db2.gz JUHJZGSWKVCOHK-HOTGVXAUSA-N 2 0 295.471 1.957 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]CC2CC2)CC1 ZINC001698711658 1175901163 /nfs/dbraw/zinc/90/11/63/1175901163.db2.gz PYVBXNRIHRVPGI-HDJSIYSDSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@H](C[NH2+]C/C=C\Cl)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001698861023 1175967242 /nfs/dbraw/zinc/96/72/42/1175967242.db2.gz RQZXLKXVGZGTSH-CZVUKNJHSA-N 2 0 273.808 1.127 10 0 CDAERP CC[NH2+]CC[C@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001698922789 1175984749 /nfs/dbraw/zinc/98/47/49/1175984749.db2.gz IAESARATMCTNIS-CQSZACIVSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001699375094 1176333113 /nfs/dbraw/zinc/33/31/13/1176333113.db2.gz VPTWRVVRWRBJTL-CYBMUJFWSA-N 2 0 269.433 1.611 10 0 CDAERP CC/C=C/CC[NH2+]C[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001699380325 1176340432 /nfs/dbraw/zinc/34/04/32/1176340432.db2.gz IUVLQDBKJIZODF-XEVLESSRSA-N 2 0 281.444 1.779 10 0 CDAERP CC(C)[C@H](C(=O)N(C)CCC[NH2+]CC1CCC1)[NH+](C)C ZINC001699528855 1176464053 /nfs/dbraw/zinc/46/40/53/1176464053.db2.gz CIYUNNXPCKOIDY-OAHLLOKOSA-N 2 0 283.460 1.811 10 0 CDAERP CCOCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H](C)C1 ZINC001699742955 1176601504 /nfs/dbraw/zinc/60/15/04/1176601504.db2.gz KGSRNGNSBLAYCJ-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP CCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001699955452 1176696212 /nfs/dbraw/zinc/69/62/12/1176696212.db2.gz ZNFUOUQSNDQYDB-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CC2CC2)C1 ZINC001700069106 1176738701 /nfs/dbraw/zinc/73/87/01/1176738701.db2.gz PLPFGNDXIZLLER-HZPDHXFCSA-N 2 0 293.455 1.709 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCOCC)[C@@H](C)C1 ZINC001700320539 1176849709 /nfs/dbraw/zinc/84/97/09/1176849709.db2.gz OWFOQTUKCLBLNH-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP CCCC[NH2+]CC1CC(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001700373690 1176881438 /nfs/dbraw/zinc/88/14/38/1176881438.db2.gz TVPNJHCTLHXKDF-BCLQGDPASA-N 2 0 293.455 1.613 10 0 CDAERP CC(C)[NH2+]CCC[C@H](C)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001700689666 1177077703 /nfs/dbraw/zinc/07/77/03/1177077703.db2.gz XEDBYAAEWIZLMJ-GJZGRUSLSA-N 2 0 299.459 1.238 10 0 CDAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCCF ZINC001700750493 1177114029 /nfs/dbraw/zinc/11/40/29/1177114029.db2.gz ALYZSHHDLBOILI-ZIAGYGMSSA-N 2 0 287.423 1.655 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)CCOCC[NH2+]C(C)C)CC[N@@H+]1C ZINC001701036382 1177248603 /nfs/dbraw/zinc/24/86/03/1177248603.db2.gz ZDHCINYDNSEKEO-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP C[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)CCC1CC1 ZINC001712982802 1178284872 /nfs/dbraw/zinc/28/48/72/1178284872.db2.gz RIJFJGFRZXNAMY-UHFFFAOYSA-N 2 0 279.428 1.320 10 0 CDAERP C[N@H+](CCCNC(=O)C[NH+]1CCCC1)CC[C@@H]1CCCO1 ZINC001712988197 1178287628 /nfs/dbraw/zinc/28/76/28/1178287628.db2.gz BDSDSULGPYHUCF-HNNXBMFYSA-N 2 0 297.443 1.089 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+]Cc2ccccc2)CC1 ZINC000236880347 1178455948 /nfs/dbraw/zinc/45/59/48/1178455948.db2.gz WJQZXUQPXKNLBE-UHFFFAOYSA-N 2 0 261.413 1.804 10 0 CDAERP CC(C)COCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001713310961 1178488009 /nfs/dbraw/zinc/48/80/09/1178488009.db2.gz GJEVRHUZDSYMSI-RRFJBIMHSA-N 2 0 299.459 1.094 10 0 CDAERP CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001713354022 1178516766 /nfs/dbraw/zinc/51/67/66/1178516766.db2.gz FYLSYAMNBBVTSU-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CC[NH2+]CCCF ZINC001713666264 1178703199 /nfs/dbraw/zinc/70/31/99/1178703199.db2.gz LCJJKWKBYBDCBT-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1CC[N@H+](CC=C(C)C)C1 ZINC001713824480 1178775462 /nfs/dbraw/zinc/77/54/62/1178775462.db2.gz KSKITVKCFPMVAT-GJZGRUSLSA-N 2 0 299.434 1.823 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001714017818 1178928613 /nfs/dbraw/zinc/92/86/13/1178928613.db2.gz GJMAFBNFVSOQEB-RQJABVFESA-N 2 0 267.417 1.221 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)[NH2+]CC)C1 ZINC001714269890 1179058413 /nfs/dbraw/zinc/05/84/13/1179058413.db2.gz ZSZPLJGKQYULOE-STQMWFEESA-N 2 0 255.406 1.223 10 0 CDAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CCF ZINC001714391827 1179120800 /nfs/dbraw/zinc/12/08/00/1179120800.db2.gz WQNKRWMJUSXAEH-QWHCGFSZSA-N 2 0 273.396 1.171 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CCCNC(=O)C[NH+](C)C1CCC1 ZINC001714520202 1179181513 /nfs/dbraw/zinc/18/15/13/1179181513.db2.gz KSHMKIUHGXZMII-OAHLLOKOSA-N 2 0 281.444 1.851 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)C(C)C ZINC001714554704 1179210401 /nfs/dbraw/zinc/21/04/01/1179210401.db2.gz GMSGOXWOJFKCFC-CQSZACIVSA-N 2 0 269.433 1.563 10 0 CDAERP CC[C@@H](C)C[NH2+]CCN(C)C(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001714767243 1179387492 /nfs/dbraw/zinc/38/74/92/1179387492.db2.gz KPOHVVZEFBUOHB-OLZOCXBDSA-N 2 0 280.416 1.682 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]CC[C@@H](C)F ZINC001714795877 1179401124 /nfs/dbraw/zinc/40/11/24/1179401124.db2.gz CEWYNMHDEZGRNV-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP CCCCCC[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001714966009 1179482093 /nfs/dbraw/zinc/48/20/93/1179482093.db2.gz NRCBJXWSNFVWJF-GDBMZVCRSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001715664042 1179756460 /nfs/dbraw/zinc/75/64/60/1179756460.db2.gz VRUAJNYOHIEQBH-STQMWFEESA-N 2 0 255.406 1.365 10 0 CDAERP C[C@H](CC[NH2+]C/C=C\Cl)NC(=O)C1(C[NH+](C)C)CC1 ZINC001715673852 1179760494 /nfs/dbraw/zinc/76/04/94/1179760494.db2.gz ISXQNVQPRDQGBR-HXUAIIEXSA-N 2 0 287.835 1.565 10 0 CDAERP C[C@@H](CC[NH2+]CCC1CC1)NC(=O)C1CC[NH+](C)CC1 ZINC001715678671 1179761813 /nfs/dbraw/zinc/76/18/13/1179761813.db2.gz LKPKJLZMAXDFFJ-ZDUSSCGKSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)=CC[NH2+]CC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001715701561 1179769041 /nfs/dbraw/zinc/76/90/41/1179769041.db2.gz QALJGBCJTZYBPB-CQSZACIVSA-N 2 0 279.428 1.533 10 0 CDAERP CC(C)=CC[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001715906541 1179906600 /nfs/dbraw/zinc/90/66/00/1179906600.db2.gz FXGXWMREQJXHCF-NNTXTVRGSA-N 2 0 265.401 1.166 10 0 CDAERP Cc1ncsc1C[NH2+]CC[C@H](C)NC(=O)CC[NH+](C)C ZINC001716171127 1180082319 /nfs/dbraw/zinc/08/23/19/1180082319.db2.gz YSNYSMIMQJZJCK-NSHDSACASA-N 2 0 298.456 1.388 10 0 CDAERP C[C@@H](C[NH2+]CCC1CC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001716444039 1180213090 /nfs/dbraw/zinc/21/30/90/1180213090.db2.gz UMRUZBSBNWAFRX-ZDUSSCGKSA-N 2 0 279.428 1.509 10 0 CDAERP CCCC[NH2+]C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001716451598 1180218623 /nfs/dbraw/zinc/21/86/23/1180218623.db2.gz WENCTYBJTQJPSZ-LBPRGKRZSA-N 2 0 255.406 1.223 10 0 CDAERP CCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1CC ZINC001716507174 1180260091 /nfs/dbraw/zinc/26/00/91/1180260091.db2.gz BDWCJCIYUOTSFG-KGLIPLIRSA-N 2 0 269.433 1.707 10 0 CDAERP C[C@H]1C[C@H](C[NH2+]CCCN(C)C(=O)CC[NH+](C)C)CCO1 ZINC001716565200 1180287215 /nfs/dbraw/zinc/28/72/15/1180287215.db2.gz YNWVMGSJSGSXBY-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CCCC1 ZINC001716821384 1180425175 /nfs/dbraw/zinc/42/51/75/1180425175.db2.gz PCAFILHJYHPDBE-HUUCEWRRSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H]([NH2+]CCCF)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001716969599 1180485288 /nfs/dbraw/zinc/48/52/88/1180485288.db2.gz PSYRDWOPGAARKN-OLZOCXBDSA-N 2 0 273.396 1.124 10 0 CDAERP C[C@@H]([NH2+]CCCF)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001716969598 1180485857 /nfs/dbraw/zinc/48/58/57/1180485857.db2.gz PSYRDWOPGAARKN-CHWSQXEVSA-N 2 0 273.396 1.124 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCCCCF)CCC1 ZINC001717147934 1180547405 /nfs/dbraw/zinc/54/74/05/1180547405.db2.gz ACPWFVNRWLAULL-CQSZACIVSA-N 2 0 299.434 1.849 10 0 CDAERP CC[NH2+]CC1CC(NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001717395390 1180646394 /nfs/dbraw/zinc/64/63/94/1180646394.db2.gz KFOGWEZHANGNSN-UHFFFAOYSA-N 2 0 281.444 1.757 10 0 CDAERP CCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001717471727 1180692196 /nfs/dbraw/zinc/69/21/96/1180692196.db2.gz DSISNWVMTDMAPH-UONOGXRCSA-N 2 0 269.433 1.706 10 0 CDAERP C[C@@H]1[C@H]([NH2+]CCCF)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001717797603 1180860156 /nfs/dbraw/zinc/86/01/56/1180860156.db2.gz DZQGKPICOQQNMA-CHWSQXEVSA-N 2 0 285.407 1.267 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CCOC2CCC2)CN1C(=O)CC[NH+](C)C ZINC001717822406 1180880777 /nfs/dbraw/zinc/88/07/77/1180880777.db2.gz RLFWLAJSAHZTMR-KGLIPLIRSA-N 2 0 297.443 1.086 10 0 CDAERP CCCC[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC1(C)C ZINC001717903094 1180920657 /nfs/dbraw/zinc/92/06/57/1180920657.db2.gz MGQFAUSMBJHTKZ-AWEZNQCLSA-N 2 0 293.455 1.709 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000165866725 1181041581 /nfs/dbraw/zinc/04/15/81/1181041581.db2.gz AZXAMKMNIYLCOF-HUUCEWRRSA-N 2 0 281.444 1.742 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@@H](C[NH2+]C/C=C\Cl)C1CC1 ZINC001723353242 1181543527 /nfs/dbraw/zinc/54/35/27/1181543527.db2.gz LIPTYVCSOQRUFU-RJNRQISESA-N 2 0 285.819 1.319 10 0 CDAERP O=C(NCC1([NH2+]CCCF)CC1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001723530838 1181583532 /nfs/dbraw/zinc/58/35/32/1181583532.db2.gz RZBWEMNQKYITOP-ZIAGYGMSSA-N 2 0 297.418 1.601 10 0 CDAERP CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+](C)C(C)C ZINC001724648207 1181714525 /nfs/dbraw/zinc/71/45/25/1181714525.db2.gz JIBXWNKVHCCRAC-KGLIPLIRSA-N 2 0 267.417 1.412 10 0 CDAERP C[C@H](CCC[NH2+]CC1CC1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001725397436 1181987821 /nfs/dbraw/zinc/98/78/21/1181987821.db2.gz XFSKRDAFCQBTOI-UKRRQHHQSA-N 2 0 281.444 1.755 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H](C[NH2+]CCCF)C2)C1 ZINC001731532074 1182437415 /nfs/dbraw/zinc/43/74/15/1182437415.db2.gz SFHZSXBUPWULJU-HUUCEWRRSA-N 2 0 299.434 1.516 10 0 CDAERP CCCCC[NH2+][C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001731592820 1182468599 /nfs/dbraw/zinc/46/85/99/1182468599.db2.gz YVZUVVAFNNWUNR-HIFRSBDPSA-N 2 0 281.444 1.613 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CCF ZINC001731743810 1182545494 /nfs/dbraw/zinc/54/54/94/1182545494.db2.gz CICCOICIAQWXOO-KGLIPLIRSA-N 2 0 285.407 1.411 10 0 CDAERP CC[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)CC(C)C ZINC001731814230 1182601298 /nfs/dbraw/zinc/60/12/98/1182601298.db2.gz RGYDZZXCEISWBJ-CQSZACIVSA-N 2 0 269.433 1.422 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001731860788 1182634198 /nfs/dbraw/zinc/63/41/98/1182634198.db2.gz NWNBEINITZYCMX-KSLSASGISA-N 2 0 293.455 1.733 10 0 CDAERP CC(C)[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001731987202 1182715701 /nfs/dbraw/zinc/71/57/01/1182715701.db2.gz AUACCSNZXZCJHS-AWEZNQCLSA-N 2 0 269.433 1.563 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCCOC)[C@H](C)C1 ZINC001732495689 1182989211 /nfs/dbraw/zinc/98/92/11/1182989211.db2.gz OAYRRPQDXKOKRQ-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001732513732 1182993356 /nfs/dbraw/zinc/99/33/56/1182993356.db2.gz GKOSZQOQLAVXMP-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP Cc1nc[nH]c1CC(=O)N[C@@H](C)C[NH2+]CCCC1CCC1 ZINC001733021751 1183241294 /nfs/dbraw/zinc/24/12/94/1183241294.db2.gz NFYHLDTUBZXOAM-LBPRGKRZSA-N 2 0 292.427 1.935 10 0 CDAERP CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001733053318 1183266007 /nfs/dbraw/zinc/26/60/07/1183266007.db2.gz JEUPKGUTKPHRRA-KBPBESRZSA-N 2 0 269.433 1.706 10 0 CDAERP COCC[NH2+]CCCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001733106357 1183292831 /nfs/dbraw/zinc/29/28/31/1183292831.db2.gz FZWLXDUJRWVDIR-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@H](O)C[NH2+]CCCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001733130893 1183301401 /nfs/dbraw/zinc/30/14/01/1183301401.db2.gz JSFHZNNREVFJJW-GJZGRUSLSA-N 2 0 299.459 1.070 10 0 CDAERP CC(C)=CC[NH2+]CCCN(C)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001733139175 1183304833 /nfs/dbraw/zinc/30/48/33/1183304833.db2.gz LMNGLICYCVKCBE-KRWDZBQOSA-N 2 0 293.455 1.877 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1CCC(C)(C)C ZINC001733222780 1183349231 /nfs/dbraw/zinc/34/92/31/1183349231.db2.gz QFTCUHFYSVIVQK-CYBMUJFWSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)(C(=O)NCC1([NH2+]CCCF)CC1)[NH+]1CCCCC1 ZINC001733245138 1183367933 /nfs/dbraw/zinc/36/79/33/1183367933.db2.gz IDQSGVVMOPUPJS-UHFFFAOYSA-N 2 0 299.434 1.849 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CCF)C1 ZINC001733949018 1183580618 /nfs/dbraw/zinc/58/06/18/1183580618.db2.gz DCTRSCJEMGNIBC-RUXDESIVSA-N 2 0 285.407 1.315 10 0 CDAERP CCC[NH2+]CC1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001733950339 1183581604 /nfs/dbraw/zinc/58/16/04/1183581604.db2.gz PRXRKNHXAKCVRO-RUXDESIVSA-N 2 0 267.417 1.365 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NC2CC(C[NH2+]C/C=C/Cl)C2)C1 ZINC001733958098 1183584874 /nfs/dbraw/zinc/58/48/74/1183584874.db2.gz PQGXQCINPDZAFF-PTXXIAOSSA-N 2 0 285.819 1.175 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001734219834 1183695599 /nfs/dbraw/zinc/69/55/99/1183695599.db2.gz XPJDZMYTJICGCQ-JYJNAYRXSA-N 2 0 295.471 1.859 10 0 CDAERP CCCC[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001734343300 1183741227 /nfs/dbraw/zinc/74/12/27/1183741227.db2.gz JUOMLFLFEKBZKY-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)CCC[N@@H+]1CCCO ZINC001734456726 1183785958 /nfs/dbraw/zinc/78/59/58/1183785958.db2.gz IGBJBVAIECMLIQ-LSDHHAIUSA-N 2 0 299.459 1.070 10 0 CDAERP C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)[C@H](n2cncn2)C1 ZINC001771768965 1164320419 /nfs/dbraw/zinc/32/04/19/1164320419.db2.gz YUXUVAAQFBPFJZ-RBGFHDKUSA-N 2 0 291.443 1.938 10 0 CDAERP C[NH+](C)CCCC1CC[NH+](CC[S@@](C)=O)CC1 ZINC000787732708 733319913 /nfs/dbraw/zinc/31/99/13/733319913.db2.gz ZHCHYSLAKYUQLB-QGZVFWFLSA-N 2 0 260.447 1.419 10 0 CDAERP CCN(C(=O)NCC1([NH+](C)C)CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000922985900 734056609 /nfs/dbraw/zinc/05/66/09/734056609.db2.gz NFOQWHDGOZQWPV-CYBMUJFWSA-N 2 0 282.432 1.206 10 0 CDAERP C[N@@H+]1C[C@@]2(C)CN(CCOCC(F)F)C[C@@]2(C)C1 ZINC000931315705 734379630 /nfs/dbraw/zinc/37/96/30/734379630.db2.gz ZIKMEMIXHYMJQZ-BETUJISGSA-N 2 0 262.344 1.542 10 0 CDAERP COCCCOC1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000923317162 735153717 /nfs/dbraw/zinc/15/37/17/735153717.db2.gz VEOBDEMTMLPURN-UHFFFAOYSA-N 2 0 270.417 1.646 10 0 CDAERP CCOC(=O)[C@@H]1C[C@H]1CN1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000931545868 735217247 /nfs/dbraw/zinc/21/72/47/735217247.db2.gz IDLURXZNEVESAL-FQUUOJAGSA-N 2 0 266.385 1.212 10 0 CDAERP CC(C)[NH+]1CCC(N(C)C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CC1 ZINC000715096206 735409077 /nfs/dbraw/zinc/40/90/77/735409077.db2.gz UWWOEUAFBACNRG-RYUDHWBXSA-N 2 0 289.370 1.158 10 0 CDAERP Cc1ccc(O[C@H]2CC[N@@H+](CCc3cncn3C)C2)nc1 ZINC000858039649 735435127 /nfs/dbraw/zinc/43/51/27/735435127.db2.gz GGNMCNSPXFRTIM-HNNXBMFYSA-N 2 0 286.379 1.819 10 0 CDAERP [NH3+]Cc1ccc(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000870973795 735437728 /nfs/dbraw/zinc/43/77/28/735437728.db2.gz FTVJJQOGDADXOZ-YOWGUQMCSA-N 2 0 273.380 1.406 10 0 CDAERP C[N@@H+]1CC[C@H](NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)[C@H]2CCC[C@@H]21 ZINC000796761216 735464563 /nfs/dbraw/zinc/46/45/63/735464563.db2.gz DXZNYZDYLJNMRM-MTSZKFMLSA-N 2 0 293.455 1.312 10 0 CDAERP CC[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000925840094 735542904 /nfs/dbraw/zinc/54/29/04/735542904.db2.gz GVYJLOREYXWFBD-HOTGVXAUSA-N 3 0 282.476 1.182 10 0 CDAERP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1cncs1 ZINC000925811857 735853238 /nfs/dbraw/zinc/85/32/38/735853238.db2.gz SUAFPEFAMOTDQS-JTQLQIEISA-N 2 0 254.403 1.217 10 0 CDAERP CCC1([NH3+])CC[NH+](C2CCN(C(=O)N(C)C)CC2)CC1 ZINC000714763371 735854808 /nfs/dbraw/zinc/85/48/08/735854808.db2.gz BSUYYGDZZGCFOS-UHFFFAOYSA-N 2 0 282.432 1.336 10 0 CDAERP CC[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)C1(C(=O)OC)CCC1 ZINC000925782619 735867165 /nfs/dbraw/zinc/86/71/65/735867165.db2.gz ABMVOBBUBXVTRR-AGIUHOORSA-N 2 0 268.401 1.553 10 0 CDAERP C[C@@H]1C[N@H+](Cc2ccc(-n3ccnc3)nc2)CC[C@@H]1C[NH3+] ZINC000923500788 735893426 /nfs/dbraw/zinc/89/34/26/735893426.db2.gz PDCHTWSYDCCTIM-UKRRQHHQSA-N 2 0 285.395 1.684 10 0 CDAERP CC(C)C[C@@H]([NH3+])CN1CCC[C@H](C2OCCO2)C1 ZINC000841007214 735916680 /nfs/dbraw/zinc/91/66/80/735916680.db2.gz LXXULCPYZLFJRZ-QWHCGFSZSA-N 2 0 256.390 1.445 10 0 CDAERP C(C[NH2+]C1CC1)CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000394682269 736007049 /nfs/dbraw/zinc/00/70/49/736007049.db2.gz YUAGZSNQNSFWPF-HNNXBMFYSA-N 2 0 251.418 1.689 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCc1ccc(Cl)nc1 ZINC000817902254 736138184 /nfs/dbraw/zinc/13/81/84/736138184.db2.gz LUILRYXKLVAVRZ-GFCCVEGCSA-N 2 0 271.792 1.621 10 0 CDAERP C[C@H]([NH2+]C1CC1)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000825548033 736073717 /nfs/dbraw/zinc/07/37/17/736073717.db2.gz VFOWTUNHRUQTME-SCRDCRAPSA-N 2 0 265.401 1.118 10 0 CDAERP C([NH2+][C@@H]1CCCC12CC2)[C@H]1CN2CCC[C@@H]2CO1 ZINC000706519710 736311777 /nfs/dbraw/zinc/31/17/77/736311777.db2.gz XIOKOONAEXCERX-HZSPNIEDSA-N 2 0 250.386 1.772 10 0 CDAERP C[NH2+]CC1CC[NH+](C[C@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000715518359 733172024 /nfs/dbraw/zinc/17/20/24/733172024.db2.gz KAGDZILCKHYNRQ-CABCVRRESA-N 2 0 252.402 1.875 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925676505 733182019 /nfs/dbraw/zinc/18/20/19/733182019.db2.gz NESBUQIAZUZTJB-MELADBBJSA-N 2 0 253.434 1.966 10 0 CDAERP C[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C(C1CC1)C1CC1 ZINC000923310629 733183295 /nfs/dbraw/zinc/18/32/95/733183295.db2.gz LWBIJXFRMMCEAA-CYBMUJFWSA-N 2 0 250.386 1.485 10 0 CDAERP C[N@@H+]1CC[C@H](NC[C@]23CCC[C@H]2[NH2+]CC3)[C@@H]2CCC[C@H]21 ZINC000925841337 733207276 /nfs/dbraw/zinc/20/72/76/733207276.db2.gz OKYIYCIUPQOECI-FIDHJVLJSA-N 2 0 277.456 1.981 10 0 CDAERP C[N@@H+]1CC[C@H]2CN(C(=O)CCCCCC[NH3+])CC[C@@H]21 ZINC000870981434 733255997 /nfs/dbraw/zinc/25/59/97/733255997.db2.gz IPVXTUNLEIYBEV-KBPBESRZSA-N 2 0 267.417 1.448 10 0 CDAERP COC(=O)C1=CC[C@@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000858469885 733289864 /nfs/dbraw/zinc/28/98/64/733289864.db2.gz BKWYDLUGZPZOCO-CHWSQXEVSA-N 2 0 266.385 1.711 10 0 CDAERP CN(C[C@@H]1CC[C@H](C(F)(F)F)O1)CC(C)(C)[NH3+] ZINC000721480667 733290075 /nfs/dbraw/zinc/29/00/75/733290075.db2.gz WAIXIEDNVYXGPG-DTWKUNHWSA-N 2 0 254.296 1.765 10 0 CDAERP CC(C)OC(=O)N1CCC([NH2+][C@@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000817910888 733308806 /nfs/dbraw/zinc/30/88/06/733308806.db2.gz DRFYXNCALLCAOY-UKRRQHHQSA-N 2 0 297.443 1.974 10 0 CDAERP C[C@@H]([NH2+][C@@H](C)c1ccnn1C)C1CC[NH+](C)CC1 ZINC000396458941 733324499 /nfs/dbraw/zinc/32/44/99/733324499.db2.gz ORPNJXMQACEIOW-NEPJUHHUSA-N 2 0 250.390 1.801 10 0 CDAERP C[C@H]1C[C@@H]1NC(=[NH2+])NCC1CC[NH+](C2CC2)CC1 ZINC000864464752 733348359 /nfs/dbraw/zinc/34/83/59/733348359.db2.gz HAGHHYAUYFUBSD-GWCFXTLKSA-N 2 0 250.390 1.383 10 0 CDAERP CCCCOC(=O)CC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000843382815 733385113 /nfs/dbraw/zinc/38/51/13/733385113.db2.gz SCEANCJHEXJOHW-OAHLLOKOSA-N 2 0 268.401 1.795 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000878728496 733393871 /nfs/dbraw/zinc/39/38/71/733393871.db2.gz OSOOBMUSMKTDLD-CHWSQXEVSA-N 2 0 267.417 1.317 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000720804294 733432326 /nfs/dbraw/zinc/43/23/26/733432326.db2.gz ISLWWIHVQJGFEX-IHRRRGAJSA-N 2 0 256.390 1.112 10 0 CDAERP COC1(OC)CC[C@@H]1[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000926450784 733437451 /nfs/dbraw/zinc/43/74/51/733437451.db2.gz RCQCRTHNXFYPCJ-SKDRFNHKSA-N 2 0 251.330 1.008 10 0 CDAERP C([NH2+][C@@H]1CCOC2(CCCC2)C1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000094374868 733523456 /nfs/dbraw/zinc/52/34/56/733523456.db2.gz YIEOHWXLGXFZJM-BZUAXINKSA-N 2 0 294.439 1.931 10 0 CDAERP CC1(C)[C@@H](N[C@H]2CC[N@H+](CC3CC3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925555877 733568165 /nfs/dbraw/zinc/56/81/65/733568165.db2.gz IGOSDCWNWLYGLS-FZKCQIBNSA-N 2 0 277.456 1.837 10 0 CDAERP Cc1ccc(C)c(OCCN2CC[NH2+]CC[NH2+]CC2)c1 ZINC000923466313 733583169 /nfs/dbraw/zinc/58/31/69/733583169.db2.gz MXAGQNBBAXPUKK-UHFFFAOYSA-N 2 0 277.412 1.177 10 0 CDAERP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923326846 733591510 /nfs/dbraw/zinc/59/15/10/733591510.db2.gz NVZPHLLKCSPCAQ-CVEARBPZSA-N 2 0 293.455 1.029 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]CC2(CF)CCOCC2)C12CCC2 ZINC000925683576 733619897 /nfs/dbraw/zinc/61/98/97/733619897.db2.gz SRNVWKATDRILML-NEPJUHHUSA-N 2 0 256.365 1.612 10 0 CDAERP CO[C@@H]1COCC[C@@H]1C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925680964 733633843 /nfs/dbraw/zinc/63/38/43/733633843.db2.gz LOFRTUSCZKTRJE-ZOBORPQBSA-N 2 0 270.417 1.534 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H](CO)C2CCOCC2)C1 ZINC000925657550 733637892 /nfs/dbraw/zinc/63/78/92/733637892.db2.gz UBHFTCKGIVIWSJ-MCIONIFRSA-N 2 0 270.417 1.270 10 0 CDAERP CN(C[C@H]1CCC[N@@H+]1C)C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000817496097 733691513 /nfs/dbraw/zinc/69/15/13/733691513.db2.gz ROUABLGSTYMNIV-CJNGLKHVSA-N 2 0 299.434 1.752 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CCCCCN2CC[NH2+]CC2)CCO1 ZINC000925846296 733706513 /nfs/dbraw/zinc/70/65/13/733706513.db2.gz VMVZZLBGJMRRLA-CABCVRRESA-N 2 0 269.433 1.219 10 0 CDAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CC[C@H]1CCCO1)CC2 ZINC000923451315 733716984 /nfs/dbraw/zinc/71/69/84/733716984.db2.gz MZHUMJLMCRUPFW-KGLIPLIRSA-N 2 0 268.401 1.385 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870865733 733757044 /nfs/dbraw/zinc/75/70/44/733757044.db2.gz FJOAWUHSADHNPY-MGPQQGTHSA-N 2 0 267.417 1.495 10 0 CDAERP C[N@H+](CC1CC[NH+](C)CC1)CN1C(=O)[C@@H]2CCC[C@@H]21 ZINC000839992153 733804979 /nfs/dbraw/zinc/80/49/79/733804979.db2.gz UOHMAQCTVBKYJW-KGLIPLIRSA-N 2 0 265.401 1.228 10 0 CDAERP C[NH+]1CCC2(CC1)CC[NH+](C[C@@]1(O)CCCOC1)CC2 ZINC000879250296 733805006 /nfs/dbraw/zinc/80/50/06/733805006.db2.gz CIHXXSNECWLUIA-INIZCTEOSA-N 2 0 282.428 1.336 10 0 CDAERP CC1(C)C[C@@H](CN2CCO[C@@H](C[NH3+])C2)C(C)(C)O1 ZINC000709701153 733823459 /nfs/dbraw/zinc/82/34/59/733823459.db2.gz BWNPCKBYSVBXCD-RYUDHWBXSA-N 2 0 256.390 1.240 10 0 CDAERP C([C@H]1CC2(C[NH2+]C2)CO1)[NH+]1CCC2(CCSCC2)CC1 ZINC000923409668 733823889 /nfs/dbraw/zinc/82/38/89/733823889.db2.gz DEQFSCQVYZPKRH-CQSZACIVSA-N 2 0 296.480 1.974 10 0 CDAERP CC[C@H]1CCC[C@@H]([NH2+]CCN2CCC([NH3+])CC2)C1 ZINC000925808953 733931309 /nfs/dbraw/zinc/93/13/09/733931309.db2.gz FLDLJSXBYWRKFJ-DZGCQCFKSA-N 2 0 253.434 1.968 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)CCC[NH2+]C2CC2)[C@@H](C)C1 ZINC000923324553 733938419 /nfs/dbraw/zinc/93/84/19/733938419.db2.gz HVRMUODKGRYDIO-ZFWWWQNUSA-N 3 0 253.434 1.791 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)NCC2([NH+](C)C)CC2)CC[N@@H+]1C ZINC000923006970 733941684 /nfs/dbraw/zinc/94/16/84/733941684.db2.gz GKFLZXDQKCCBLI-OLZOCXBDSA-N 2 0 282.432 1.205 10 0 CDAERP C[C@H](c1ccccc1F)N1CC[NH2+]CC[NH2+]CC1 ZINC000923460546 733955979 /nfs/dbraw/zinc/95/59/79/733955979.db2.gz FKZSWABIWIZSDB-GFCCVEGCSA-N 2 0 251.349 1.382 10 0 CDAERP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)CCCCC[NH3+] ZINC000720885287 733965049 /nfs/dbraw/zinc/96/50/49/733965049.db2.gz DEUGQXQKKCCKGF-STQMWFEESA-N 2 0 253.390 1.201 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000094752408 733971857 /nfs/dbraw/zinc/97/18/57/733971857.db2.gz MUTJFIZPZRSUJY-XQQFMLRXSA-N 2 0 253.390 1.104 10 0 CDAERP Cn1nc2c(c1C[NH2+]CC1(C)CC[NH+](C)CC1)CCC2 ZINC000921978432 733999636 /nfs/dbraw/zinc/99/96/36/733999636.db2.gz JVISMPZQNQJHFO-UHFFFAOYSA-N 2 0 276.428 1.730 10 0 CDAERP C[N@@H+](Cc1ccsc1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923302716 734003882 /nfs/dbraw/zinc/00/38/82/734003882.db2.gz UXXHEQITIOOBGL-GFCCVEGCSA-N 2 0 252.383 1.558 10 0 CDAERP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCOC12CCOCC2 ZINC000924528180 734010854 /nfs/dbraw/zinc/01/08/54/734010854.db2.gz YNDHNULZNXOZKZ-CYBMUJFWSA-N 2 0 270.417 1.502 10 0 CDAERP COCCC[C@H](C)[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000866414199 734012039 /nfs/dbraw/zinc/01/20/39/734012039.db2.gz MUELNSGVGOCYCL-STQMWFEESA-N 2 0 258.406 1.236 10 0 CDAERP C[C@H](CN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1)[N@H+](C)C1CC1 ZINC000925497371 734063608 /nfs/dbraw/zinc/06/36/08/734063608.db2.gz VXLOZOFGPXAWGQ-FRRDWIJNSA-N 2 0 253.434 1.965 10 0 CDAERP Cc1conc1CONC(=[NH2+])[C@@H]1CN(C(C)C)CCO1 ZINC000871740552 734072004 /nfs/dbraw/zinc/07/20/04/734072004.db2.gz RAXHZSFLUSCSGB-LBPRGKRZSA-N 2 0 282.344 1.091 10 0 CDAERP C(CC[NH2+][C@H]1CC[C@H]1C1CC1)CCN1CC[NH2+]CC1 ZINC000925845252 734073890 /nfs/dbraw/zinc/07/38/90/734073890.db2.gz FTFKEZFOCKWTFZ-HOTGVXAUSA-N 2 0 265.445 1.840 10 0 CDAERP CN(C[C@H](O)c1ccccc1F)C[C@H]1CC[N@H+](C)C1 ZINC000121046749 734109274 /nfs/dbraw/zinc/10/92/74/734109274.db2.gz QPULSUNSIPDXGK-WFASDCNBSA-N 2 0 266.360 1.743 10 0 CDAERP COC1CC(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)C1 ZINC000703822874 734116971 /nfs/dbraw/zinc/11/69/71/734116971.db2.gz DJTNNWDKKRSSFS-OOJKYFRXSA-N 2 0 252.402 1.875 10 0 CDAERP C[C@H]1C[C@H](N(C)C(=O)CC[C@@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC000830351754 734124334 /nfs/dbraw/zinc/12/43/34/734124334.db2.gz WEGGYPKYFYJZSI-MELADBBJSA-N 2 0 267.417 1.460 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@@H]2CCCOc3ccccc32)CC1 ZINC000925816203 734148148 /nfs/dbraw/zinc/14/81/48/734148148.db2.gz WOOMXOPCXVLHNQ-MRXNPFEDSA-N 2 0 289.423 1.913 10 0 CDAERP Cn1c2ccc(C[NH2+]C[C@H]3C[C@@H]([NH+](C)C)C3)cc2oc1=O ZINC000848561603 734159741 /nfs/dbraw/zinc/15/97/41/734159741.db2.gz AFFFALIREVWIHQ-BETUJISGSA-N 2 0 289.379 1.561 10 0 CDAERP CCCN(CCC)C(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923499673 734207972 /nfs/dbraw/zinc/20/79/72/734207972.db2.gz NCFYOWPCEZHDHB-KBPBESRZSA-N 2 0 269.433 1.552 10 0 CDAERP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)CC[NH2+]CC1 ZINC000925879550 734215814 /nfs/dbraw/zinc/21/58/14/734215814.db2.gz HWTWXBCWRWYVSP-MCIONIFRSA-N 3 0 297.443 1.025 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C=C2CC[NH2+]CC2)C1 ZINC000852899358 734239335 /nfs/dbraw/zinc/23/93/35/734239335.db2.gz VYNRBXJMQZFATI-AWEZNQCLSA-N 2 0 279.428 1.533 10 0 CDAERP CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CCC[NH2+]C2CC2)C1 ZINC000923376920 734241751 /nfs/dbraw/zinc/24/17/51/734241751.db2.gz GPXXSROGUHKVBQ-UONOGXRCSA-N 2 0 297.443 1.975 10 0 CDAERP Cc1ncc([C@H](C)[NH2+]CCN2CCC([NH3+])CC2)s1 ZINC000925815988 734243216 /nfs/dbraw/zinc/24/32/16/734243216.db2.gz VKJOUWAFPPSJTN-JTQLQIEISA-N 2 0 268.430 1.525 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000810435551 734281616 /nfs/dbraw/zinc/28/16/16/734281616.db2.gz DKTZNDCMXAYQSB-IHRRRGAJSA-N 2 0 269.433 1.419 10 0 CDAERP CC(C)(C)[C@H](O)C[C@H](CO)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925666605 734287252 /nfs/dbraw/zinc/28/72/52/734287252.db2.gz NDQSGRJUXGKRKS-YVECIDJPSA-N 2 0 270.417 1.004 10 0 CDAERP CCCCOC[C@H](O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000715063998 734314605 /nfs/dbraw/zinc/31/46/05/734314605.db2.gz UPOSWVFSWVBPKK-KFWWJZLASA-N 2 0 270.417 1.238 10 0 CDAERP CN(CCCCCC[NH3+])C(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872312164 734323614 /nfs/dbraw/zinc/32/36/14/734323614.db2.gz NWEPSKIHPPCRDY-KGLIPLIRSA-N 2 0 269.433 1.872 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)CCCCCC[NH3+] ZINC000237509114 734326797 /nfs/dbraw/zinc/32/67/97/734326797.db2.gz PGPZAUOLJMWLMV-AWEZNQCLSA-N 2 0 269.433 1.886 10 0 CDAERP C[N@@H+]1C[C@@H]2C[NH+](CCC3OCCCO3)C[C@]2(C)C1 ZINC000702424403 734373763 /nfs/dbraw/zinc/37/37/63/734373763.db2.gz LHGLTLHSIQBZSL-OCCSQVGLSA-N 2 0 254.374 1.023 10 0 CDAERP C[NH+](C)CC[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)c1cccnc1 ZINC000928828942 734404521 /nfs/dbraw/zinc/40/45/21/734404521.db2.gz CMEHHTJDGPZRDU-LSDHHAIUSA-N 2 0 290.411 1.142 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccc(F)cc2)C12CCC2 ZINC000925561427 734413584 /nfs/dbraw/zinc/41/35/84/734413584.db2.gz BTZVZIAGGKUKCB-NWANDNLSSA-N 2 0 294.370 1.425 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@]1(O)CCc2ccccc21 ZINC000925611902 734421490 /nfs/dbraw/zinc/42/14/90/734421490.db2.gz PXVPSIMVLMSYJJ-MPBLMAKGSA-N 2 0 286.419 1.750 10 0 CDAERP C[N@@H+]1C[C@@]2(C)CN(CCc3cnccn3)C[C@@]2(C)C1 ZINC000931317912 734438766 /nfs/dbraw/zinc/43/87/66/734438766.db2.gz QRLOXKTWVQDSDO-GASCZTMLSA-N 2 0 260.385 1.293 10 0 CDAERP CCOC[C@H](O)C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923509199 734528342 /nfs/dbraw/zinc/52/83/42/734528342.db2.gz YMYATHDBJQXKHI-GDBMZVCRSA-N 2 0 284.444 1.486 10 0 CDAERP CC[C@](O)(C[NH+]1CCC(O)(C[NH+](C)C)CC1)C(F)(F)F ZINC000931479058 734544484 /nfs/dbraw/zinc/54/44/84/734544484.db2.gz JMZLXWVXIVRNEG-LBPRGKRZSA-N 2 0 298.349 1.078 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+][C@H](CCO)Cc2ccccc2)C12CCC2 ZINC000925661991 734562227 /nfs/dbraw/zinc/56/22/27/734562227.db2.gz GJXFSRGRTLAVEB-OAGGEKHMSA-N 2 0 274.408 1.840 10 0 CDAERP C[C@@H]1CC[C@H]([NH2+]CCN2CCC([NH3+])CC2)C[C@@H]1C ZINC000925809899 734570247 /nfs/dbraw/zinc/57/02/47/734570247.db2.gz CAVYOYVILDUDJI-IPYPFGDCSA-N 2 0 253.434 1.824 10 0 CDAERP C[C@H]1CCC[N@H+](CCCCNC(=[NH2+])N2CCO[C@@H](C)C2)C1 ZINC000848989900 734646007 /nfs/dbraw/zinc/64/60/07/734646007.db2.gz KFBYVLPALCIKMQ-GJZGRUSLSA-N 2 0 296.459 1.744 10 0 CDAERP [NH3+]CCN(Cc1ccccc1)C(=O)C=C1CC[NH2+]CC1 ZINC000852875122 734679639 /nfs/dbraw/zinc/67/96/39/734679639.db2.gz FEBOLTNBCLKJBG-UHFFFAOYSA-N 2 0 273.380 1.284 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868180451 734704147 /nfs/dbraw/zinc/70/41/47/734704147.db2.gz DWWQHFULQMCJBR-LSDHHAIUSA-N 2 0 290.411 1.917 10 0 CDAERP C[N@@H+]1C[C@@H]2C[NH+](CC[C@H]3CCC[NH2+]C3)C[C@]2(C)C1 ZINC000702338480 734704517 /nfs/dbraw/zinc/70/45/17/734704517.db2.gz ZJKIIRSPULNXMM-KFWWJZLASA-N 2 0 251.418 1.260 10 0 CDAERP CC(C)(C)[NH+]1CCC([NH2+]C[C@H](O)C[C@](C)(O)C2CC2)CC1 ZINC000872201295 734711251 /nfs/dbraw/zinc/71/12/51/734711251.db2.gz VPSXSGXIDPRMOA-WBVHZDCISA-N 2 0 298.471 1.751 10 0 CDAERP C(CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)CCN1CC[NH2+]CC1 ZINC000925846282 734727173 /nfs/dbraw/zinc/72/71/73/734727173.db2.gz VEDSWYWAGBXANK-SJORKVTESA-N 3 0 294.487 1.278 10 0 CDAERP O=C1CCC2=C(CC[N@H+](CCC3CC[NH2+]CC3)C2)N1 ZINC000852754303 734781334 /nfs/dbraw/zinc/78/13/34/734781334.db2.gz SSTIEAJBTURNIM-UHFFFAOYSA-N 2 0 263.385 1.246 10 0 CDAERP CSC1(C[NH2+][C@@H]2CO[C@@H](C)[C@H]2C)CC[NH+](C)CC1 ZINC000926449920 734872452 /nfs/dbraw/zinc/87/24/52/734872452.db2.gz YAVLPYVIFJNZBG-FRRDWIJNSA-N 2 0 272.458 1.827 10 0 CDAERP C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713423664 734879371 /nfs/dbraw/zinc/87/93/71/734879371.db2.gz HWDKLZJVSFCSQB-OSFYFWSMSA-N 2 0 265.401 1.057 10 0 CDAERP CC1(C)C[C@@H](C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C(C)(C)O1 ZINC000709702088 734894215 /nfs/dbraw/zinc/89/42/15/734894215.db2.gz JWTFCMSXCZPQLS-XQQFMLRXSA-N 2 0 252.402 1.731 10 0 CDAERP CC1(C)[C@@H]([NH2+]CCN2CCSCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925480094 734923968 /nfs/dbraw/zinc/92/39/68/734923968.db2.gz DRVXCOLLRNLKQT-RDBSUJKOSA-N 2 0 283.485 1.401 10 0 CDAERP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCc1cccc2c1OCCO2 ZINC000925873542 734937468 /nfs/dbraw/zinc/93/74/68/734937468.db2.gz BGERECUYSZVIGG-KGLIPLIRSA-N 2 0 276.380 1.717 10 0 CDAERP CC[NH+](CC)C[C@H](C)N[C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261954482 734959677 /nfs/dbraw/zinc/95/96/77/734959677.db2.gz OUQUNAZAHIOOKQ-JONQDZQNSA-N 2 0 283.460 1.463 10 0 CDAERP C[N@H+](CCCC[NH2+]C[C@@H](O)c1ccc(F)cn1)C1CC1 ZINC000819362687 734960953 /nfs/dbraw/zinc/96/09/53/734960953.db2.gz PXARYGLFZUDWPC-OAHLLOKOSA-N 2 0 281.375 1.718 10 0 CDAERP Fc1cc(C[NH2+]CCn2ccnc2)cnc1Cl ZINC000865402326 734961815 /nfs/dbraw/zinc/96/18/15/734961815.db2.gz OFUGZPICVXVPLL-UHFFFAOYSA-N 2 0 254.696 1.860 10 0 CDAERP C[C@@H](C(=O)Nc1ccccc1)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923504901 734982299 /nfs/dbraw/zinc/98/22/99/734982299.db2.gz VZXVIYIGEBSCFC-RDBSUJKOSA-N 2 0 275.396 1.930 10 0 CDAERP C[C@@H]1CCC[N@H+](CCO[C@@H]2CCOC2)[C@@H]1CCC[NH3+] ZINC000724947486 734984014 /nfs/dbraw/zinc/98/40/14/734984014.db2.gz DUUVOUNJJWBXSY-RBSFLKMASA-N 2 0 270.417 1.631 10 0 CDAERP CC1(C)[C@@H]([NH2+]CC[C@H]2CCCO2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925535681 734993235 /nfs/dbraw/zinc/99/32/35/734993235.db2.gz IWMISZMNSFQASK-MQYQWHSLSA-N 2 0 252.402 1.922 10 0 CDAERP COCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCC1CC1 ZINC000864456388 735020052 /nfs/dbraw/zinc/02/00/52/735020052.db2.gz HHDZQBJNEBRFKS-ZDUSSCGKSA-N 2 0 268.405 1.011 10 0 CDAERP CCS(=O)(=O)CCN1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866706607 735080698 /nfs/dbraw/zinc/08/06/98/735080698.db2.gz PNQVXNRKLPBNAH-ZDUSSCGKSA-N 2 0 276.446 1.118 10 0 CDAERP CC1(C)CCC[N@H+](CCN[C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925660638 735172828 /nfs/dbraw/zinc/17/28/28/735172828.db2.gz SAWKPDKWUNGAOG-KGLIPLIRSA-N 2 0 265.445 1.968 10 0 CDAERP Cc1cncc(CC[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)n1 ZINC000925704167 735179980 /nfs/dbraw/zinc/17/99/80/735179980.db2.gz BMGWPEKSQSPRRA-OCCSQVGLSA-N 2 0 262.401 1.823 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H]1CC[NH+](C)[C@@H]1C ZINC000922546584 735233254 /nfs/dbraw/zinc/23/32/54/735233254.db2.gz DSUBFGBSPUADFV-MJBXVCDLSA-N 2 0 284.448 1.499 10 0 CDAERP Cn1ccc(C[NH+]2CCC(C(C)(C)C[NH3+])CC2)n1 ZINC000714453768 735269719 /nfs/dbraw/zinc/26/97/19/735269719.db2.gz AJMMDOHAKQYPSN-UHFFFAOYSA-N 2 0 250.390 1.617 10 0 CDAERP C(C[NH+]1CCCC1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931285025 735560275 /nfs/dbraw/zinc/56/02/75/735560275.db2.gz HXTLQWNNTIMPDQ-UHFFFAOYSA-N 2 0 281.444 1.269 10 0 CDAERP CC1(C)C[NH2+]CC[C@H](NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)C1 ZINC000872275242 735763824 /nfs/dbraw/zinc/76/38/24/735763824.db2.gz GTHQGRVJVZSAEA-XQQFMLRXSA-N 2 0 267.417 1.398 10 0 CDAERP C[NH+](C)C1(C)CCN(C[C@H](O)COCc2ccco2)CC1 ZINC000931349471 735859102 /nfs/dbraw/zinc/85/91/02/735859102.db2.gz ZOXLUIBJDCWFES-AWEZNQCLSA-N 2 0 296.411 1.573 10 0 CDAERP Cc1cc([C@@H](C)[NH2+]CCN2CCC([NH3+])CC2)c(C)o1 ZINC000925814607 735890674 /nfs/dbraw/zinc/89/06/74/735890674.db2.gz KJFLEOZDRQLDKV-GFCCVEGCSA-N 2 0 265.401 1.970 10 0 CDAERP C[C@H]([NH2+]C[C@@H](O)C1CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000838929237 735892357 /nfs/dbraw/zinc/89/23/57/735892357.db2.gz FRDJCZHSDLKWFI-JGGQBBKZSA-N 2 0 266.429 2.000 10 0 CDAERP C(C[NH2+]C1CC1)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000923411707 735908385 /nfs/dbraw/zinc/90/83/85/735908385.db2.gz SJCIUEZAJBBVJA-INIZCTEOSA-N 3 0 281.444 1.219 10 0 CDAERP C[NH+](C)C1CCC([NH2+]C2[C@@H]3CC[C@H]2C[N@@H+](C)C3)CC1 ZINC000926607933 736034596 /nfs/dbraw/zinc/03/45/96/736034596.db2.gz WTNOCMOBQHVHHB-RWCNBJKUSA-N 3 0 265.445 1.789 10 0 CDAERP COC(=O)C1=CC[C@H](N[C@@H](Cc2ccccc2)[C@H](C)[NH3+])C1 ZINC000863541050 736085555 /nfs/dbraw/zinc/08/55/55/736085555.db2.gz GIRKZFRHRHGPQI-RCBQFDQVSA-N 2 0 288.391 1.796 10 0 CDAERP CCC(CC)[C@H](CNC(=[NH2+])NC1CC1)N1CCOCC1 ZINC000848983867 736118011 /nfs/dbraw/zinc/11/80/11/736118011.db2.gz NKMDRBDGBRIWKQ-AWEZNQCLSA-N 2 0 282.432 1.400 10 0 CDAERP C[NH+](C)C1(CNC(=O)[C@H]2C[NH2+]CC2(C)C)CCCCC1 ZINC000711223068 736118588 /nfs/dbraw/zinc/11/85/88/736118588.db2.gz HJCCUOGTQMQRNN-CYBMUJFWSA-N 2 0 281.444 1.613 10 0 CDAERP COC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000925643829 736132744 /nfs/dbraw/zinc/13/27/44/736132744.db2.gz LJKDNEOKTUNLKU-RDBSUJKOSA-N 2 0 295.427 1.728 10 0 CDAERP COC(=O)C1=CC[C@H]([NH2+][C@@H]2CCCCC[C@H]2[NH3+])C1 ZINC000863540775 736215696 /nfs/dbraw/zinc/21/56/96/736215696.db2.gz DIYVQJXXKYMPQH-YNEHKIRRSA-N 2 0 252.358 1.498 10 0 CDAERP Cc1cc([C@H]([NH3+])CC(=O)NCCC[NH+](C)C)cc(Cl)n1 ZINC000831764176 736338901 /nfs/dbraw/zinc/33/89/01/736338901.db2.gz QTYKRCPLUNDAGR-GFCCVEGCSA-N 2 0 298.818 1.501 10 0 CDAERP CCN(CC[NH2+]C[C@@H]1CCO[C@@H](C)C1)C(=O)CC[NH+](C)C ZINC001568772253 1167543506 /nfs/dbraw/zinc/54/35/06/1167543506.db2.gz NPKAHCOVIYMIDW-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP COCCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001570671342 1167581001 /nfs/dbraw/zinc/58/10/01/1167581001.db2.gz QVMADTYPGTYBQL-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001566678605 1168385846 /nfs/dbraw/zinc/38/58/46/1168385846.db2.gz AXOHPHFWODKYCP-JZIMQPMSSA-N 2 0 291.439 1.629 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)C2=CC[NH+](C)CC2)C1 ZINC001567473187 1168790696 /nfs/dbraw/zinc/79/06/96/1168790696.db2.gz GIYJRFDGESQUMW-GOEBONIOSA-N 2 0 293.455 1.873 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC[C@H](C)F ZINC001480870916 894577031 /nfs/dbraw/zinc/57/70/31/894577031.db2.gz DMLTYBNOAAWKNA-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CC/C=C\CC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001266547215 895307111 /nfs/dbraw/zinc/30/71/11/895307111.db2.gz LNXQBECYNYPISC-GXMNPTEKSA-N 2 0 267.417 1.485 10 0 CDAERP CC/C=C\CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001266583443 895458245 /nfs/dbraw/zinc/45/82/45/895458245.db2.gz XSOHTEMPYLGPBS-FYFCFCJWSA-N 2 0 279.428 1.674 10 0 CDAERP CC(C)CC[N@H+](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001480886107 895561966 /nfs/dbraw/zinc/56/19/66/895561966.db2.gz NONPMERAABTGCC-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)NCC[C@@H](C)[NH2+]CC)C1 ZINC001267142453 896908357 /nfs/dbraw/zinc/90/83/57/896908357.db2.gz TVJNVAYZVGFNBT-KGLIPLIRSA-N 2 0 269.433 1.613 10 0 CDAERP CC(C)[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001567574160 1168865966 /nfs/dbraw/zinc/86/59/66/1168865966.db2.gz ZAXMFLLBQWGVID-KGLIPLIRSA-N 2 0 267.417 1.460 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccsc2)C12CCC2 ZINC000405388573 897605920 /nfs/dbraw/zinc/60/59/20/897605920.db2.gz FRPAGLSJQGMBRE-UTUOFQBUSA-N 2 0 252.383 1.641 10 0 CDAERP CC[C@@H](C(=O)N(C)CC[NH2+]CC=C(Cl)Cl)[NH+](C)C ZINC001267456693 897932612 /nfs/dbraw/zinc/93/26/12/897932612.db2.gz GOMMNNPERJNLAW-JTQLQIEISA-N 2 0 296.242 1.694 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001481109006 898875102 /nfs/dbraw/zinc/87/51/02/898875102.db2.gz JICFUDGGSIBOPF-OAHLLOKOSA-N 2 0 283.460 1.812 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001420022227 898981366 /nfs/dbraw/zinc/98/13/66/898981366.db2.gz XENNDHJRJPABMK-UONOGXRCSA-N 2 0 287.423 1.513 10 0 CDAERP C[C@H](F)CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001481162800 899020633 /nfs/dbraw/zinc/02/06/33/899020633.db2.gz OPCGXKQEYZDWQB-GXTWGEPZSA-N 2 0 285.407 1.409 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001267748769 899563869 /nfs/dbraw/zinc/56/38/69/899563869.db2.gz BLIOAUSOCCNGQG-CGFBPQRUSA-N 2 0 293.455 1.875 10 0 CDAERP CCCC[NH2+]CCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001481245133 899624170 /nfs/dbraw/zinc/62/41/70/899624170.db2.gz DSPOTQYUXMGARP-UHFFFAOYSA-N 2 0 281.444 1.711 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+]CCC(C)(C)C ZINC001268001632 900244621 /nfs/dbraw/zinc/24/46/21/900244621.db2.gz GNWAQLHLUAEPMH-CYBMUJFWSA-N 2 0 271.449 1.716 10 0 CDAERP CCC[N@@H+]1CC[C@H](CCNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001481458501 900735060 /nfs/dbraw/zinc/73/50/60/900735060.db2.gz PCCVVRQTCUCNBD-LSDHHAIUSA-N 2 0 281.444 1.566 10 0 CDAERP CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CC=C(C)C)[NH+](C)C ZINC001268094413 901242692 /nfs/dbraw/zinc/24/26/92/901242692.db2.gz OEQKABCZBJBALQ-UONOGXRCSA-N 2 0 269.433 1.729 10 0 CDAERP CCC[NH2+]C[C@@H](CC(C)C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001268114984 901326636 /nfs/dbraw/zinc/32/66/36/901326636.db2.gz LCAPGMGQNCOYKH-LSDHHAIUSA-N 2 0 283.460 1.859 10 0 CDAERP CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CC[N@H+](C)CC ZINC001268288556 901758391 /nfs/dbraw/zinc/75/83/91/901758391.db2.gz JIJNUYJKYSWPJO-KBPBESRZSA-N 2 0 269.433 1.613 10 0 CDAERP COCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001482065449 902585484 /nfs/dbraw/zinc/58/54/84/902585484.db2.gz ADQKZGGEBGMTCV-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)[NH+]1CCC(N(C)C(=O)CC[N@@H+]2CC[C@@H](F)C2)CC1 ZINC001362046809 903149207 /nfs/dbraw/zinc/14/92/07/903149207.db2.gz GENDZKVOMAVZRP-CQSZACIVSA-N 2 0 299.434 1.752 10 0 CDAERP CC(C)=CC[N@@H+]1CC[C@@H]1CNC(=O)CCn1ccnc1 ZINC001269266513 903628960 /nfs/dbraw/zinc/62/89/60/903628960.db2.gz DHLLCOCZIQUCSX-CQSZACIVSA-N 2 0 276.384 1.430 10 0 CDAERP CCC[NH2+]CC[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001269783666 904111418 /nfs/dbraw/zinc/11/14/18/904111418.db2.gz FAGLMXTZKWPXBB-HNNXBMFYSA-N 2 0 283.460 1.957 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CC2CC2)CCN1C(=O)CC[NH+](C)C ZINC001269960915 904236242 /nfs/dbraw/zinc/23/62/42/904236242.db2.gz SPWDVDODLWUKQZ-OCCSQVGLSA-N 2 0 267.417 1.317 10 0 CDAERP CC(C)=CC[NH+]1CC[C@](C)(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001270625585 904837778 /nfs/dbraw/zinc/83/77/78/904837778.db2.gz YPAZALCYIOHRGP-RDJZCZTQSA-N 2 0 293.455 1.875 10 0 CDAERP CC[C@@H](C[N@H+](C)CCN(C)C(=O)C[C@H]1CC[NH+](C)C1)OC ZINC001482642816 908107501 /nfs/dbraw/zinc/10/75/01/908107501.db2.gz UWUNKMMVDJSLMK-CABCVRRESA-N 2 0 299.459 1.143 10 0 CDAERP C[C@H](C[NH2+]CC1CCCCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001483184928 909930208 /nfs/dbraw/zinc/93/02/08/909930208.db2.gz XBZYODIUKTWLMR-CQSZACIVSA-N 2 0 293.455 1.757 10 0 CDAERP CC(C)CC[N@H+](C)C[C@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001483347953 910946679 /nfs/dbraw/zinc/94/66/79/910946679.db2.gz PJDOPEHETCYGNS-AWEZNQCLSA-N 2 0 283.460 1.953 10 0 CDAERP CCC[N@@H+]1CC[C@](C)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001484066952 915376072 /nfs/dbraw/zinc/37/60/72/915376072.db2.gz DUPSQBMCLQKVMU-ZFWWWQNUSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)[N@@H+]1CCC[C@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001484172851 915485632 /nfs/dbraw/zinc/48/56/32/915485632.db2.gz BDTYLDGYAMGDOV-MRXNPFEDSA-N 2 0 281.444 1.709 10 0 CDAERP CC[NH+](CC)CC(=O)N[C@H]1C[N@H+](CC)CC1(C)C ZINC001178860408 915672025 /nfs/dbraw/zinc/67/20/25/915672025.db2.gz BAFKEGVXRPXAGT-LBPRGKRZSA-N 2 0 255.406 1.175 10 0 CDAERP C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C[NH2+]CCF ZINC001484383740 915702601 /nfs/dbraw/zinc/70/26/01/915702601.db2.gz CGTDBPZDJAEMCY-GJZGRUSLSA-N 2 0 299.434 1.516 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001485643767 917157830 /nfs/dbraw/zinc/15/78/30/917157830.db2.gz MAFJGAOHDHQJIH-LSDHHAIUSA-N 2 0 297.443 1.110 10 0 CDAERP CCN1CC[C@H]1C(=O)N[C@@H](C)CC[NH+](CC)CC ZINC001181654453 917245570 /nfs/dbraw/zinc/24/55/70/917245570.db2.gz QYXOMYXFHVQTJP-STQMWFEESA-N 2 0 255.406 1.317 10 0 CDAERP C[C@H](CC[NH2+]CC1CCC1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001272780829 919267025 /nfs/dbraw/zinc/26/70/25/919267025.db2.gz BZBLTDUYEULNHE-CJNGLKHVSA-N 2 0 293.455 1.613 10 0 CDAERP CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001486160265 920763361 /nfs/dbraw/zinc/76/33/61/920763361.db2.gz HHFUSNBGRXMIIK-SOUVJXGZSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)CC[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001486241470 920834884 /nfs/dbraw/zinc/83/48/84/920834884.db2.gz XGUXIUMYYGLVJT-AWEZNQCLSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)[NH2+]C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001486419918 920990001 /nfs/dbraw/zinc/99/00/01/920990001.db2.gz MLCJMPPIKYPBTB-KGLIPLIRSA-N 2 0 283.460 1.857 10 0 CDAERP CCOCCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001486457557 921036452 /nfs/dbraw/zinc/03/64/52/921036452.db2.gz GCHXPHXCKVBVSL-NRXISQOPSA-N 2 0 297.443 1.086 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)C1CC([NH2+]C/C=C\Cl)C1 ZINC001486483839 921059861 /nfs/dbraw/zinc/05/98/61/921059861.db2.gz RTLKSCSMYLXLLP-WAYWQWQTSA-N 2 0 287.835 1.658 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001491180820 936870126 /nfs/dbraw/zinc/87/01/26/936870126.db2.gz WCXRNUJCAQCNQK-HUUCEWRRSA-N 2 0 281.444 1.566 10 0 CDAERP CCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)C(C)(C)C1 ZINC001410026968 924056056 /nfs/dbraw/zinc/05/60/56/924056056.db2.gz UTPAUMHJIKPJCC-CQSZACIVSA-N 2 0 281.444 1.707 10 0 CDAERP Nc1ccnc2c1C[N@H+](C[C@H]1CCCC[C@@H]1O)CC2 ZINC001197104684 925056015 /nfs/dbraw/zinc/05/60/15/925056015.db2.gz KLVTUILUIRYSLT-ABAIWWIYSA-N 2 0 261.369 1.573 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC)CC(C)(C)C1 ZINC001489349941 926877833 /nfs/dbraw/zinc/87/78/33/926877833.db2.gz NEJAUOATJFMFNQ-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP Cc1ccc(C[N@@H+](C)CCCNC(=O)CC[NH+](C)C)cc1 ZINC001490244996 927054399 /nfs/dbraw/zinc/05/43/99/927054399.db2.gz DJCGHIUEUWQRHQ-UHFFFAOYSA-N 2 0 291.439 1.885 10 0 CDAERP CCCC[N@H+](C)C[C@H]1CCCN(C(=O)Cn2ccnc2)C1 ZINC001490782211 927342799 /nfs/dbraw/zinc/34/27/99/927342799.db2.gz IMKNGLNLMZUJFF-OAHLLOKOSA-N 2 0 292.427 1.854 10 0 CDAERP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1cscn1 ZINC000697866448 937287598 /nfs/dbraw/zinc/28/75/98/937287598.db2.gz VSVLKRMFVIKQKZ-SNVBAGLBSA-N 2 0 254.403 1.217 10 0 CDAERP CC(C)=CC[N@@H+](C)CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001568495144 1169327741 /nfs/dbraw/zinc/32/77/41/1169327741.db2.gz ZXHSKXYRVZWZKT-UHFFFAOYSA-N 2 0 281.444 1.685 10 0 CDAERP C[C@@H]1C[NH+](C(C)(C)CNc2cc[nH+]cc2)C[C@@H](C)O1 ZINC001116184750 937434851 /nfs/dbraw/zinc/43/48/51/937434851.db2.gz LCQUFMBZFJWXJW-CHWSQXEVSA-N 2 0 263.385 1.803 10 0 CDAERP CC(C)C[NH2+]C/C=C/CNC(=O)C[C@@H](C)n1ccnc1 ZINC001274404291 931497902 /nfs/dbraw/zinc/49/79/02/931497902.db2.gz LOMHMXGIXHMHLD-ISZGNANSSA-N 2 0 278.400 1.752 10 0 CDAERP CC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C1 ZINC001274455543 931501225 /nfs/dbraw/zinc/50/12/25/931501225.db2.gz XJIDKSNOHBEYAN-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP CCOCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@H]1C ZINC001274662724 931533912 /nfs/dbraw/zinc/53/39/12/931533912.db2.gz LFWRBBUGGMBZNQ-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)=CC[NH2+]CC1CC(NC(=O)CC[NH+](C)C)C1 ZINC001275284126 931724227 /nfs/dbraw/zinc/72/42/27/931724227.db2.gz DAPLGUXPYICRNM-UHFFFAOYSA-N 2 0 267.417 1.389 10 0 CDAERP CC(C)COCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001275721138 931977472 /nfs/dbraw/zinc/97/74/72/931977472.db2.gz RMXWIBFJWWNUMU-CABCVRRESA-N 2 0 299.459 1.047 10 0 CDAERP C[NH2+]CCCCC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000719689770 932208630 /nfs/dbraw/zinc/20/86/30/932208630.db2.gz BTADSRUCJQTYCA-CQSZACIVSA-N 2 0 267.417 1.463 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N2CCC[NH+]3CCC[C@H]3C2)C1 ZINC001412473988 932444541 /nfs/dbraw/zinc/44/45/41/932444541.db2.gz YREAOJBHKHXJGW-HOTGVXAUSA-N 2 0 293.455 1.804 10 0 CDAERP CCOC(=O)C[C@H]1CCC[N@@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC001118242467 937607840 /nfs/dbraw/zinc/60/78/40/937607840.db2.gz DRJBWKCKVCQSJP-OCCSQVGLSA-N 2 0 254.374 1.404 10 0 CDAERP CCCC[C@H](C[NH2+]CCF)NC(=O)C1CC[NH+](C)CC1 ZINC001276261271 932695878 /nfs/dbraw/zinc/69/58/78/932695878.db2.gz CPDVHYFDMXYATO-CQSZACIVSA-N 2 0 287.423 1.562 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)CC1 ZINC000925110977 932852156 /nfs/dbraw/zinc/85/21/56/932852156.db2.gz BCJDMQFHJSRDNW-HUUCEWRRSA-N 2 0 282.428 1.238 10 0 CDAERP Cc1nc(CC[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)n[nH]1 ZINC000925631264 932918858 /nfs/dbraw/zinc/91/88/58/932918858.db2.gz GSMXPPWBLQQZDZ-WDEREUQCSA-N 2 0 251.378 1.151 10 0 CDAERP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000930903447 933470693 /nfs/dbraw/zinc/47/06/93/933470693.db2.gz LYPWVZHNKTYQJB-CRWXNKLISA-N 2 0 288.382 1.666 10 0 CDAERP C([NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)[C@H]1CCOC1 ZINC001119630891 937741691 /nfs/dbraw/zinc/74/16/91/937741691.db2.gz KBDZOROBDDKICM-VHDGCEQUSA-N 2 0 252.402 1.781 10 0 CDAERP CC/C=C/CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001490852459 934504183 /nfs/dbraw/zinc/50/41/83/934504183.db2.gz ICPGWFXFLVDYMY-LFAOLKIESA-N 2 0 281.444 1.875 10 0 CDAERP C[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+]3CC[C@H](F)C3)C2)C1 ZINC001413001484 935157148 /nfs/dbraw/zinc/15/71/48/935157148.db2.gz KQRYMEVFQOTAIU-GOEBONIOSA-N 2 0 297.418 1.365 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001493213512 935865060 /nfs/dbraw/zinc/86/50/60/935865060.db2.gz JSYNOWUQJANXEH-HOTGVXAUSA-N 2 0 295.471 1.977 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]([NH+](C)C)C1(C)C ZINC001413187512 935934777 /nfs/dbraw/zinc/93/47/77/935934777.db2.gz NHTFKBZDUUTQPB-MCIONIFRSA-N 2 0 281.444 1.706 10 0 CDAERP CCOCC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H](C)C1 ZINC001671246528 1169421014 /nfs/dbraw/zinc/42/10/14/1169421014.db2.gz UGUMMBKOXPDHDV-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@@H](CC[NH2+]Cc1nccs1)NC(=O)CC[NH+](C)C ZINC001568671869 1169423291 /nfs/dbraw/zinc/42/32/91/1169423291.db2.gz CFUJOBWWQKDARL-NSHDSACASA-N 2 0 284.429 1.079 10 0 CDAERP Cc1cc(C[NH2+]CC[C@@H](C)NC(=O)C[N@H+](C)C(C)C)no1 ZINC001568714004 1169443298 /nfs/dbraw/zinc/44/32/98/1169443298.db2.gz MNVSNWVMSHCSME-GFCCVEGCSA-N 2 0 296.415 1.308 10 0 CDAERP COCCC[NH+]1CCC(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000167268360 940725948 /nfs/dbraw/zinc/72/59/48/940725948.db2.gz XPNYOBTXBORNSI-GJZGRUSLSA-N 2 0 297.443 1.121 10 0 CDAERP C[C@H]([NH2+]Cc1cccc2c1OCO2)C1CC[NH2+]CC1 ZINC000400560854 940852238 /nfs/dbraw/zinc/85/22/38/940852238.db2.gz HVSIOPXDDQGOFT-NSHDSACASA-N 2 0 262.353 1.893 10 0 CDAERP CCOC(=O)N1CCC([NH2+][C@@H](C)C2CC[NH2+]CC2)CC1 ZINC000400691784 940854488 /nfs/dbraw/zinc/85/44/88/940854488.db2.gz ZEBOFEAIVSPUOR-LBPRGKRZSA-N 2 0 283.416 1.585 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)CC1 ZINC000403538897 940924776 /nfs/dbraw/zinc/92/47/76/940924776.db2.gz FAWTUAZEJVRLAE-YHWZYXNKSA-N 2 0 270.442 1.459 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]CCn2cc(Br)cn2)C12CCC2 ZINC000405251779 940976192 /nfs/dbraw/zinc/97/61/92/940976192.db2.gz KFBSLIHNSODNBW-MNOVXSKESA-N 2 0 299.216 1.505 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001362052274 970822475 /nfs/dbraw/zinc/82/24/75/970822475.db2.gz HBCSBXPMTKLIGF-ILXRZTDVSA-N 2 0 283.460 1.811 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H](C)CC[NH+](C)C ZINC001362080086 970857076 /nfs/dbraw/zinc/85/70/76/970857076.db2.gz PIDUPJHHSPOIHD-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC001362081325 970859656 /nfs/dbraw/zinc/85/96/56/970859656.db2.gz TTWSQXGQTLMWNT-HRCADAONSA-N 2 0 293.455 1.707 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC001362115045 970906406 /nfs/dbraw/zinc/90/64/06/970906406.db2.gz QGRHECWAXFYWRH-LBPRGKRZSA-N 2 0 287.367 1.794 10 0 CDAERP CCC[NH2+][C@H](C)[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001282206299 942678277 /nfs/dbraw/zinc/67/82/77/942678277.db2.gz KDSSAQIRDXUEFB-KGLIPLIRSA-N 2 0 269.433 1.611 10 0 CDAERP CCCCC[NH2+]C[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001283101807 942822500 /nfs/dbraw/zinc/82/25/00/942822500.db2.gz SRGVZXYDDBJAKB-SHTZXODSSA-N 2 0 293.455 1.757 10 0 CDAERP CCCC[NH2+]C[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001283101731 942823205 /nfs/dbraw/zinc/82/32/05/942823205.db2.gz RBQMFAMZNDSBJE-HDJSIYSDSA-N 2 0 279.428 1.367 10 0 CDAERP CCCCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001283712646 942976656 /nfs/dbraw/zinc/97/66/56/942976656.db2.gz CJYJNIZGJITKEA-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@H]1[C@H]([NH2+]CCOC2CCC2)CCN1C(=O)CC[NH+](C)C ZINC001283897224 943022919 /nfs/dbraw/zinc/02/29/19/943022919.db2.gz CKXGDUGNYVFDOT-DZGCQCFKSA-N 2 0 297.443 1.086 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC(C)C)[C@@H]1C)[NH+](C)C ZINC001264168451 944090439 /nfs/dbraw/zinc/09/04/39/944090439.db2.gz VPAWIDZXNHVRQD-RDBSUJKOSA-N 2 0 269.433 1.562 10 0 CDAERP C[N@H+](CCCF)CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001265058379 944216251 /nfs/dbraw/zinc/21/62/51/944216251.db2.gz RUOQVDFBRWGGGE-CYBMUJFWSA-N 2 0 273.396 1.126 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)CC(C)C ZINC001265127828 944240179 /nfs/dbraw/zinc/24/01/79/944240179.db2.gz KJGFQKDSLCWRIL-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001265489777 944407897 /nfs/dbraw/zinc/40/78/97/944407897.db2.gz SFFMVUQXQVRMHF-HDJSIYSDSA-N 2 0 281.444 1.898 10 0 CDAERP CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001331346714 944525629 /nfs/dbraw/zinc/52/56/29/944525629.db2.gz KIDIQDFAUMIHTD-CABCVRRESA-N 2 0 283.460 1.809 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCCF)[C@H]1C ZINC001278314217 945858737 /nfs/dbraw/zinc/85/87/37/945858737.db2.gz CFRVULUWDDDNCQ-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP COCC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@@H]1C ZINC001278325167 946164653 /nfs/dbraw/zinc/16/46/53/946164653.db2.gz HVDAWZHESQNPHD-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CCCC[NH2+]C[C@@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001568998163 1169585822 /nfs/dbraw/zinc/58/58/22/1169585822.db2.gz VKXUTLCKFATFHE-KGLIPLIRSA-N 2 0 269.433 1.755 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)C[NH2+]CCF)C1 ZINC001569013460 1169595994 /nfs/dbraw/zinc/59/59/94/1169595994.db2.gz OSTAJISJNQIIGN-OLZOCXBDSA-N 2 0 273.396 1.172 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC[C@H](C)F)C1 ZINC001480168354 971611744 /nfs/dbraw/zinc/61/17/44/971611744.db2.gz GMTZDAWRCRDBPE-AVGNSLFASA-N 2 0 273.396 1.313 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCOCC)C1 ZINC001480207419 971629032 /nfs/dbraw/zinc/62/90/32/971629032.db2.gz KSDRLCKCAYZJDB-QLFBSQMISA-N 2 0 297.443 1.134 10 0 CDAERP O=C([C@H]1C[NH+]2CCC1CC2)N1CC[NH+](CCC2CC2)CC1 ZINC001480358604 971687100 /nfs/dbraw/zinc/68/71/00/971687100.db2.gz GNVWMDQVQXGCHP-INIZCTEOSA-N 2 0 291.439 1.273 10 0 CDAERP CC(C)CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001480487803 971751517 /nfs/dbraw/zinc/75/15/17/971751517.db2.gz ZPLNVSVGTSDAEQ-KGLIPLIRSA-N 2 0 269.433 1.611 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCOCC1 ZINC001278718118 951882159 /nfs/dbraw/zinc/88/21/59/951882159.db2.gz GMJJSMHIYOXFNL-CQSZACIVSA-N 2 0 297.443 1.136 10 0 CDAERP C[NH+](C)CC1CN(C(=O)c2ccc(C[NH+]3CCCC3)o2)C1 ZINC001362982245 971785684 /nfs/dbraw/zinc/78/56/84/971785684.db2.gz UAUGZOJZAFSFTF-UHFFFAOYSA-N 2 0 291.395 1.509 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CC[C@H](C[NH2+]CCF)C1 ZINC001480675053 971835058 /nfs/dbraw/zinc/83/50/58/971835058.db2.gz CIIDCGNCVYGJNB-CYBMUJFWSA-N 2 0 273.396 1.126 10 0 CDAERP CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001364014898 954126387 /nfs/dbraw/zinc/12/63/87/954126387.db2.gz KNQGLQJHSRTVSE-PMPSAXMXSA-N 2 0 293.455 1.659 10 0 CDAERP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001363244647 972014786 /nfs/dbraw/zinc/01/47/86/972014786.db2.gz FTXUHHBINNPWGQ-GJZGRUSLSA-N 2 0 299.434 1.657 10 0 CDAERP CC[NH+](CC)CC[C@H](C)NC(=O)N1CC[C@@H]([N@H+](C)CC)C1 ZINC001364348767 954486541 /nfs/dbraw/zinc/48/65/41/954486541.db2.gz GUDMUMPGDBXDKN-LSDHHAIUSA-N 2 0 298.475 1.842 10 0 CDAERP C[C@H](C(N)=O)N1CCC[C@H](c2cncn2C(C)(C)C)C1 ZINC001364527709 954744081 /nfs/dbraw/zinc/74/40/81/954744081.db2.gz BMSVVDMWSZRTDA-NEPJUHHUSA-N 2 0 278.400 1.691 10 0 CDAERP CC[C@H](F)C[NH2+][C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001491579015 955296635 /nfs/dbraw/zinc/29/66/35/955296635.db2.gz IMXLURLNKHMCAC-OLZOCXBDSA-N 2 0 289.439 1.807 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001491568691 955309101 /nfs/dbraw/zinc/30/91/01/955309101.db2.gz MBCQYTPDKGYLOK-NSHDSACASA-N 2 0 299.365 1.511 10 0 CDAERP CN(CC[NH2+]C/C=C/Cl)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001493589125 972085936 /nfs/dbraw/zinc/08/59/36/972085936.db2.gz DHDFTAMEVVEYJF-CSNMRHKHSA-N 2 0 299.846 1.804 10 0 CDAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CCc1cccs1 ZINC001491673532 955379259 /nfs/dbraw/zinc/37/92/59/955379259.db2.gz JGTHEUUJNKUZAI-ZDUSSCGKSA-N 2 0 295.452 1.481 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCC(C)(C)C ZINC001491674852 955384395 /nfs/dbraw/zinc/38/43/95/955384395.db2.gz XDHOXFIKCODRHB-STQMWFEESA-N 2 0 269.433 1.469 10 0 CDAERP CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001421536743 955398373 /nfs/dbraw/zinc/39/83/73/955398373.db2.gz DNGNLCHAKHVZIC-LVQVYYBASA-N 2 0 293.455 1.707 10 0 CDAERP C[NH+](C)CCCC(=O)N1C[C@@H]2C[N@@H+](CCC3CC3)C[C@@H]2C1 ZINC001421570593 955415656 /nfs/dbraw/zinc/41/56/56/955415656.db2.gz WDYDVMDWJYGBNI-IYBDPMFKSA-N 2 0 293.455 1.519 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001491801242 955442604 /nfs/dbraw/zinc/44/26/04/955442604.db2.gz YUZRCWLVJGFFLC-HZPDHXFCSA-N 2 0 295.471 1.953 10 0 CDAERP C[NH+](C)C1CCN(CC[NH2+]Cc2ccnc(F)c2)CC1 ZINC001328755821 955459696 /nfs/dbraw/zinc/45/96/96/955459696.db2.gz ASXSJWQSZVTYGB-UHFFFAOYSA-N 2 0 280.391 1.336 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001491859000 955472285 /nfs/dbraw/zinc/47/22/85/955472285.db2.gz NXORAMMZQKQMCI-STQMWFEESA-N 2 0 282.363 1.069 10 0 CDAERP C[NH+](C)CCC(=O)NC1CC(C[NH2+]C/C=C/Cl)C1 ZINC001328913017 955549759 /nfs/dbraw/zinc/54/97/59/955549759.db2.gz USVZXUGZHWTTII-HWKANZROSA-N 2 0 273.808 1.175 10 0 CDAERP CC[C@H](C(=O)N1CCC(C)([NH2+]C[C@H](C)OC)CC1)[NH+](C)C ZINC001422040715 955714457 /nfs/dbraw/zinc/71/44/57/955714457.db2.gz KOOAXVCPFYXAAA-UONOGXRCSA-N 2 0 299.459 1.332 10 0 CDAERP CC[N@H+](C)[C@H]1CCN(C(=O)NCC[NH+]2CC[C@@H](C)C2)C1 ZINC001365274310 955808391 /nfs/dbraw/zinc/80/83/91/955808391.db2.gz HSGUWKZOYVWIFQ-KGLIPLIRSA-N 2 0 282.432 1.064 10 0 CDAERP C[NH+](C)[C@@H]1[C@H]2CN(CCOc3ccc4c(c3)OCO4)C[C@H]21 ZINC001365318805 955885089 /nfs/dbraw/zinc/88/50/89/955885089.db2.gz ANXQGBJOSZHETO-VIKVFOODSA-N 2 0 290.363 1.286 10 0 CDAERP [NH3+][C@@H]1CCCC[C@@H]1C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC001329500215 955950985 /nfs/dbraw/zinc/95/09/85/955950985.db2.gz ZOYWIHTWGINADR-GZBFAFLISA-N 2 0 265.401 1.106 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001422508668 956104991 /nfs/dbraw/zinc/10/49/91/956104991.db2.gz UZAIXYSOVPASOE-CQSZACIVSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC[C@H]2CC[NH+](CC)C2)CC[N@@H+]1C ZINC001494017897 972162644 /nfs/dbraw/zinc/16/26/44/972162644.db2.gz DUCMPMGXDULQRD-SOUVJXGZSA-N 2 0 281.444 1.565 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C(C)C)CC1(C)C ZINC001330241273 956344334 /nfs/dbraw/zinc/34/43/34/956344334.db2.gz GUNKEFBJIYTTGD-CYBMUJFWSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)[N@@H+]1CC[C@H]1CN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001365793981 956370697 /nfs/dbraw/zinc/37/06/97/956370697.db2.gz GEWWSVDIECDAMG-AWEZNQCLSA-N 2 0 297.443 1.038 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H]2C[NH+](CCC)C[C@@H]2C1 ZINC001422878378 956420997 /nfs/dbraw/zinc/42/09/97/956420997.db2.gz ODBSTSFVZURSQS-HRCADAONSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](F)C[NH2+][C@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001423102349 956587092 /nfs/dbraw/zinc/58/70/92/956587092.db2.gz HHTFWPQWKQMFEB-OCCSQVGLSA-N 2 0 287.423 1.513 10 0 CDAERP CC[C@H](C)C[N@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001317490166 956687011 /nfs/dbraw/zinc/68/70/11/956687011.db2.gz NHZOCDNDMRUBCO-UONOGXRCSA-N 2 0 269.433 1.422 10 0 CDAERP CCC[N@H+](C)CC(=O)NCC1([NH2+]Cc2cncs2)CC1 ZINC001423292602 956710236 /nfs/dbraw/zinc/71/02/36/956710236.db2.gz IRSGPWCCENWTOI-UHFFFAOYSA-N 2 0 296.440 1.223 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]C/C=C/Cl)CC[N@@H+]1C ZINC001366288782 956715573 /nfs/dbraw/zinc/71/55/73/956715573.db2.gz LTSGLARCAMVOEO-DFIPAEPRSA-N 2 0 287.835 1.564 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]C/C=C/Cl)CC1 ZINC001423306486 956716603 /nfs/dbraw/zinc/71/66/03/956716603.db2.gz HGSPYMDJEFDHJX-QPJJXVBHSA-N 2 0 273.808 1.318 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]CCF ZINC001330986361 956743100 /nfs/dbraw/zinc/74/31/00/956743100.db2.gz CZPWLJQQNHZXFQ-KBPBESRZSA-N 2 0 287.423 1.705 10 0 CDAERP C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)CCC1CC1 ZINC001316865755 956772065 /nfs/dbraw/zinc/77/20/65/956772065.db2.gz RVTHIVRYLSLDFD-CQSZACIVSA-N 2 0 267.417 1.176 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001366385398 956786254 /nfs/dbraw/zinc/78/62/54/956786254.db2.gz OVILIWBBERECRI-HIFRSBDPSA-N 2 0 299.434 1.657 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCCNC(=O)[C@H]1CN(CC)CCO1 ZINC001316866354 956792706 /nfs/dbraw/zinc/79/27/06/956792706.db2.gz LZFRSMCCGOBNOX-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP CC[NH2+]CCCOCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001331236208 956908294 /nfs/dbraw/zinc/90/82/94/956908294.db2.gz ASJVCYZHXJXGJN-LSDHHAIUSA-N 2 0 297.443 1.136 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@]1(C)CCC[N@H+](CCCF)C1 ZINC001423694734 956938982 /nfs/dbraw/zinc/93/89/82/956938982.db2.gz FWUJZTNRHUOUDW-OAHLLOKOSA-N 2 0 287.423 1.516 10 0 CDAERP CC[C@H](F)C[N@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001366617078 957043747 /nfs/dbraw/zinc/04/37/47/957043747.db2.gz WXJAVSUKYXRBHY-HZSPNIEDSA-N 2 0 287.423 1.513 10 0 CDAERP CCCC[NH2+][C@@H](C)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001331529589 957122320 /nfs/dbraw/zinc/12/23/20/957122320.db2.gz LPADKUGJVADXEU-ZDUSSCGKSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2C[NH+](C)CCCF)C1 ZINC001424705797 957315700 /nfs/dbraw/zinc/31/57/00/957315700.db2.gz LDSQMNKMQBMJEZ-LSDHHAIUSA-N 2 0 299.434 1.611 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001367017161 957338427 /nfs/dbraw/zinc/33/84/27/957338427.db2.gz DEJVKOKBYIQCGP-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP CCCCC[N@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001317445489 957479260 /nfs/dbraw/zinc/47/92/60/957479260.db2.gz ADOZMKAUKOEXIB-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP O=C(CCCC[NH+]1CCCC1)NC[C@@H]1CC[N@@H+](CCF)C1 ZINC001317535786 957533137 /nfs/dbraw/zinc/53/31/37/957533137.db2.gz KNJOKZYSHDYFCF-HNNXBMFYSA-N 2 0 299.434 1.660 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)CC[NH2+]CC[C@@H]1CCCO1)[NH+](C)C ZINC001317598291 957589991 /nfs/dbraw/zinc/58/99/91/957589991.db2.gz MYAZWUWHSAESIV-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP Cc1c(C(=O)N(C)CC[NH2+]CCCF)ccc2c[nH+]cn21 ZINC001317603625 957591616 /nfs/dbraw/zinc/59/16/16/957591616.db2.gz PKNTUDZLYUJWBP-UHFFFAOYSA-N 2 0 292.358 1.664 10 0 CDAERP Cc1cc(C[NH2+]CCN(C)C(=O)[C@@H]2CCCC[N@@H+]2C)on1 ZINC001317619617 957603319 /nfs/dbraw/zinc/60/33/19/957603319.db2.gz FADPYCPJLVFYOE-AWEZNQCLSA-N 2 0 294.399 1.015 10 0 CDAERP CC[C@H](C)C[NH2+]CCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001317669466 957627329 /nfs/dbraw/zinc/62/73/29/957627329.db2.gz JGRJOTGTMIGQPU-HNNXBMFYSA-N 2 0 283.460 1.957 10 0 CDAERP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1[N@H+](C/C=C/Cl)CC2 ZINC001425892342 957637151 /nfs/dbraw/zinc/63/71/51/957637151.db2.gz AJMAIEZHJQMEQQ-IOEOYNGKSA-N 2 0 299.846 1.804 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001425897499 957637457 /nfs/dbraw/zinc/63/74/57/957637457.db2.gz DOBAJFDDHOABEK-LZWOXQAQSA-N 2 0 299.434 1.799 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001317855114 957698406 /nfs/dbraw/zinc/69/84/06/957698406.db2.gz VARBFIQPYKWASA-HNNXBMFYSA-N 2 0 281.444 1.685 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CC1)C(C)(C)C ZINC001426144369 957708718 /nfs/dbraw/zinc/70/87/18/957708718.db2.gz UFEHUNCOWDZZSA-UONOGXRCSA-N 2 0 281.444 1.611 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@](C)(C[NH2+]C(C)C)C2CC2)CC[N@@H+]1C ZINC001367186291 957834093 /nfs/dbraw/zinc/83/40/93/957834093.db2.gz NZEZKNFICWJDFW-ZMSDIMECSA-N 2 0 295.471 2.000 10 0 CDAERP COC[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001317987578 957838496 /nfs/dbraw/zinc/83/84/96/957838496.db2.gz LUVSSPSKEGQQSQ-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2ncc[nH]2)CC1 ZINC001332863600 957894838 /nfs/dbraw/zinc/89/48/38/957894838.db2.gz XJVVJMBXVCXHAW-LBPRGKRZSA-N 2 0 293.415 1.051 10 0 CDAERP CC[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1cnc(C)o1)[NH+](C)C ZINC001367276035 957902823 /nfs/dbraw/zinc/90/28/23/957902823.db2.gz ZRJKHUDQCNYGAH-RISCZKNCSA-N 2 0 296.415 1.165 10 0 CDAERP C[NH+](C)CCC(=O)NCC1C[NH+](CC2=CCCCC2)C1 ZINC001318149049 957942992 /nfs/dbraw/zinc/94/29/92/957942992.db2.gz CNDBBGHMOYBNIH-UHFFFAOYSA-N 2 0 279.428 1.487 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)[C@@H](C)C[NH2+]Cc1ocnc1C ZINC001367392972 957988601 /nfs/dbraw/zinc/98/86/01/957988601.db2.gz FNRALGHQLOVRAN-LBPRGKRZSA-N 2 0 296.415 1.261 10 0 CDAERP CCC[NH2+][C@H](CNC(=O)COC1CC[NH+](C)CC1)C(C)C ZINC001367487019 958050118 /nfs/dbraw/zinc/05/01/18/958050118.db2.gz NZASLUVTBAVVEO-OAHLLOKOSA-N 2 0 299.459 1.238 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001318444943 958107084 /nfs/dbraw/zinc/10/70/84/958107084.db2.gz HPIXHPXEZJGJLU-HNNXBMFYSA-N 2 0 299.459 1.286 10 0 CDAERP CC[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC1CC1 ZINC001318570598 958177883 /nfs/dbraw/zinc/17/78/83/958177883.db2.gz PPHHEXSQSDURIG-TZMCWYRMSA-N 2 0 267.417 1.223 10 0 CDAERP CCC[NH2+][C@H](CC)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001318594554 958188851 /nfs/dbraw/zinc/18/88/51/958188851.db2.gz IUORPLFNJKKOFC-QWHCGFSZSA-N 2 0 255.406 1.223 10 0 CDAERP CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001318604689 958196603 /nfs/dbraw/zinc/19/66/03/958196603.db2.gz FFNOSIGLMLGMQQ-CHWSQXEVSA-N 2 0 255.406 1.365 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001367688976 958213393 /nfs/dbraw/zinc/21/33/93/958213393.db2.gz QNMJIFNNKATBKP-XGUBFFRZSA-N 2 0 283.460 1.857 10 0 CDAERP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C)c(C)n1 ZINC001367696172 958223952 /nfs/dbraw/zinc/22/39/52/958223952.db2.gz NSTOGOHOKKXXRW-CYBMUJFWSA-N 2 0 292.427 1.244 10 0 CDAERP C[C@@H](C[NH2+]CC1CC2(CCC2)C1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001367726693 958266439 /nfs/dbraw/zinc/26/64/39/958266439.db2.gz XZKMAOWQBCVIJU-ZFWWWQNUSA-N 2 0 293.455 1.755 10 0 CDAERP CCC(CC)C[NH2+]C[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001367771123 958320520 /nfs/dbraw/zinc/32/05/20/958320520.db2.gz KUUNNWNGMZQFGO-DZGCQCFKSA-N 2 0 283.460 1.859 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CC(C)C)CC2)CC[N@@H+]1C ZINC001368000927 958569697 /nfs/dbraw/zinc/56/96/97/958569697.db2.gz HATGPUJINXKQNO-UONOGXRCSA-N 2 0 281.444 1.611 10 0 CDAERP COC[C@@H](C)[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001368004365 958573266 /nfs/dbraw/zinc/57/32/66/958573266.db2.gz UPZKREGLYBYVTP-KGLIPLIRSA-N 2 0 297.443 1.134 10 0 CDAERP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCOC1CCC1 ZINC001495035393 972380884 /nfs/dbraw/zinc/38/08/84/972380884.db2.gz ATTDYIBYBIVOMV-DZGCQCFKSA-N 2 0 297.443 1.134 10 0 CDAERP CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC(C)C)[NH+](C)C ZINC001368445492 958856165 /nfs/dbraw/zinc/85/61/65/958856165.db2.gz AZTVYMLZMVIFKJ-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001368507729 958906053 /nfs/dbraw/zinc/90/60/53/958906053.db2.gz AVSLAGPPVWFUTA-LSDHHAIUSA-N 2 0 281.444 1.851 10 0 CDAERP CC(C)OCCC[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001320080007 958923863 /nfs/dbraw/zinc/92/38/63/958923863.db2.gz DTFLNVIUMWCGOM-OAHLLOKOSA-N 2 0 299.459 1.143 10 0 CDAERP CC[N@H+](C)CCCN(C)C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001368545360 958955076 /nfs/dbraw/zinc/95/50/76/958955076.db2.gz CKRXZBJAXXLNRH-HUUCEWRRSA-N 2 0 281.444 1.804 10 0 CDAERP CC(C)=CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001320516773 959215676 /nfs/dbraw/zinc/21/56/76/959215676.db2.gz IYIWJQGUWSXGKV-UONOGXRCSA-N 2 0 267.417 1.531 10 0 CDAERP CC[C@H](C)C[NH2+]CCN(CC)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001320736775 959359833 /nfs/dbraw/zinc/35/98/33/959359833.db2.gz GJKRNEYVHRSFNI-HOCLYGCPSA-N 2 0 295.471 1.812 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@H]2C[NH+](C(C)C)C[C@@H]2C1 ZINC001369158151 959492094 /nfs/dbraw/zinc/49/20/94/959492094.db2.gz IOZZOUSBICBDJE-HRCADAONSA-N 2 0 295.471 1.952 10 0 CDAERP CC[C@H](F)C[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001321064968 959569309 /nfs/dbraw/zinc/56/93/09/959569309.db2.gz PUMCSYNILWHQCK-VQQHFMJTSA-N 2 0 285.407 1.337 10 0 CDAERP CC[C@H](F)C[NH2+][C@H](C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001369253350 959581006 /nfs/dbraw/zinc/58/10/06/959581006.db2.gz XVFYNXQUWXOUQH-OLZOCXBDSA-N 2 0 287.423 1.655 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC/C=C/C[NH2+]C/C=C\Cl ZINC001321420086 959778996 /nfs/dbraw/zinc/77/89/96/959778996.db2.gz RLVSYKOSVWGKBU-DEQVHDEQSA-N 2 0 273.808 1.341 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+]C/C=C\Cl ZINC001321694296 959909589 /nfs/dbraw/zinc/90/95/89/959909589.db2.gz ZBWMLOWEXBFSQR-JPVGGKMYSA-N 2 0 261.797 1.175 10 0 CDAERP CC(C)CC[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001370365307 960071786 /nfs/dbraw/zinc/07/17/86/960071786.db2.gz UNZYSXZLIRHOQA-GJZGRUSLSA-N 2 0 283.460 1.809 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001370640037 960171679 /nfs/dbraw/zinc/17/16/79/960171679.db2.gz FOZCUJNSYIKOMU-OJLVUWQFSA-N 2 0 293.455 1.611 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H](CC[NH2+]CCC2CC2)C1 ZINC001495382371 972485328 /nfs/dbraw/zinc/48/53/28/972485328.db2.gz YOYZKVRTZLVPRR-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CC[NH+](C)C)C2)cc1 ZINC001370670256 960180803 /nfs/dbraw/zinc/18/08/03/960180803.db2.gz WBQBMAAQOQDDCE-IYBDPMFKSA-N 2 0 289.423 1.684 10 0 CDAERP CCCC[N@@H+]1CCC[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001370785790 960201149 /nfs/dbraw/zinc/20/11/49/960201149.db2.gz QXFVOLCJPKVJFM-CVEARBPZSA-N 2 0 295.471 1.957 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCF)C1CC1 ZINC001323114769 960465016 /nfs/dbraw/zinc/46/50/16/960465016.db2.gz UTNYFHKWVYDWPA-UONOGXRCSA-N 2 0 285.407 1.315 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CC[NH+](CC3CCC3)C2)C1 ZINC001418689768 960913328 /nfs/dbraw/zinc/91/33/28/960913328.db2.gz ZDFSZLLCDASMQD-JKSUJKDBSA-N 2 0 293.455 1.566 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC001434223936 961099990 /nfs/dbraw/zinc/09/99/90/961099990.db2.gz HPDWZZNAXOCIQB-XGUBFFRZSA-N 2 0 293.455 1.848 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)C1 ZINC001434303158 961147243 /nfs/dbraw/zinc/14/72/43/961147243.db2.gz MBGXTTGBOWRJLS-ZJIFWQFVSA-N 2 0 293.455 1.659 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001419094971 961366826 /nfs/dbraw/zinc/36/68/26/961366826.db2.gz OQMPCJRNZSCUMR-ZIAGYGMSSA-N 2 0 299.434 1.799 10 0 CDAERP CC(C)[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001419452298 961721656 /nfs/dbraw/zinc/72/16/56/961721656.db2.gz UJFBNGLECIJTLL-GJZGRUSLSA-N 2 0 281.444 1.659 10 0 CDAERP CC(C)CC[N@@H+]1CCC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001419547955 961804127 /nfs/dbraw/zinc/80/41/27/961804127.db2.gz CWZGQNBZLLKOKB-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@H]([NH2+]CCF)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001419829424 962137757 /nfs/dbraw/zinc/13/77/57/962137757.db2.gz LREDSFLYTDEORK-QWHCGFSZSA-N 2 0 273.396 1.124 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC1CC(C)(C)C1 ZINC001419827490 962138452 /nfs/dbraw/zinc/13/84/52/962138452.db2.gz PFAKZKVURJQTJL-TZMCWYRMSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@@H]([NH2+]CCF)[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001419832113 962142096 /nfs/dbraw/zinc/14/20/96/962142096.db2.gz OZYVHCKIPFJJNN-KGLIPLIRSA-N 2 0 297.418 1.268 10 0 CDAERP CC1([NH+]2CCCC2)CCC(Nc2nc(N)[nH+]c(N)n2)CC1 ZINC001413911991 962197467 /nfs/dbraw/zinc/19/74/67/962197467.db2.gz XRMQSPIIGNIMOB-UHFFFAOYSA-N 2 0 291.403 1.245 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001437196455 962722308 /nfs/dbraw/zinc/72/23/08/962722308.db2.gz HRRJMXPXTMRNRA-VXGBXAGGSA-N 2 0 273.396 1.171 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001420514058 962996009 /nfs/dbraw/zinc/99/60/09/962996009.db2.gz BUIVPMFRXQWGFP-KBPBESRZSA-N 2 0 299.459 1.236 10 0 CDAERP CC[C@@H](C[N@@H+]1CC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1)OC ZINC001420556503 963054807 /nfs/dbraw/zinc/05/48/07/963054807.db2.gz LOTBBHXJLUSFLR-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP CCC[N@H+](CCNC(=O)[C@@H]1CN(C)CCO1)CCC(C)C ZINC001420578807 963088026 /nfs/dbraw/zinc/08/80/26/963088026.db2.gz SCGWHWVAVARNCP-HNNXBMFYSA-N 2 0 299.459 1.191 10 0 CDAERP CC[N@H+](CCNC(=O)C[NH+]1CCCC1)C[C@H]1CC[C@H](C)O1 ZINC001437649068 963093850 /nfs/dbraw/zinc/09/38/50/963093850.db2.gz WUKBVCFUXVTJEN-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001437725655 963144383 /nfs/dbraw/zinc/14/43/83/963144383.db2.gz VZUXMHXJZTWEIB-CABCVRRESA-N 2 0 295.471 1.812 10 0 CDAERP CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)[NH+](CC)CC ZINC001438175981 963352509 /nfs/dbraw/zinc/35/25/09/963352509.db2.gz ZNISSAVZMTWTDI-KKUMJFAQSA-N 2 0 281.444 1.802 10 0 CDAERP CCN(C(=O)CC[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CC)C1 ZINC001438255263 963387528 /nfs/dbraw/zinc/38/75/28/963387528.db2.gz DSWVVMMRPVWXPP-CABCVRRESA-N 2 0 281.444 1.804 10 0 CDAERP C[C@@H](F)CC[NH2+]C1(CNC(=O)CC[NH+](C)C)CCCC1 ZINC001438604946 963494076 /nfs/dbraw/zinc/49/40/76/963494076.db2.gz ANJHHUIAAHTAAN-CYBMUJFWSA-N 2 0 287.423 1.705 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001438688561 963526545 /nfs/dbraw/zinc/52/65/45/963526545.db2.gz JBLIYCPEIJSZDY-GXTWGEPZSA-N 2 0 287.423 1.513 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCC2CC2)[C@@H](C)C1 ZINC001438777369 963547351 /nfs/dbraw/zinc/54/73/51/963547351.db2.gz RQQDASJDGWWMDB-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1ccns1)[NH+](C)C ZINC001439169417 963661458 /nfs/dbraw/zinc/66/14/58/963661458.db2.gz XVELLZISXGRVAJ-ZYHUDNBSSA-N 2 0 284.429 1.078 10 0 CDAERP CC(C)CC[N@H+](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001439397520 963749482 /nfs/dbraw/zinc/74/94/82/963749482.db2.gz HNKHZNPKSFFGBX-AWEZNQCLSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@H](C(=O)N[C@H](C[NH2+]CC1CCC1)C1CC1)[NH+](C)C ZINC001439484064 963772498 /nfs/dbraw/zinc/77/24/98/963772498.db2.gz LBSJCOSPVNMAHT-HUUCEWRRSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]CC2CCC2)C1 ZINC001440130957 963931599 /nfs/dbraw/zinc/93/15/99/963931599.db2.gz BLOYWPYODHALBE-HOCLYGCPSA-N 2 0 295.471 1.811 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CC(C)C)[NH+](C)C ZINC001440736591 964153609 /nfs/dbraw/zinc/15/36/09/964153609.db2.gz NRTDYXQPBNFIKZ-HUUCEWRRSA-N 2 0 283.460 1.905 10 0 CDAERP Cc1oncc1C[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001440861167 964213307 /nfs/dbraw/zinc/21/33/07/964213307.db2.gz OSZLCJFRSQKILV-VXGBXAGGSA-N 2 0 296.415 1.306 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@H]([NH2+]CCC1CC1)C1CC1 ZINC001441257736 964437142 /nfs/dbraw/zinc/43/71/42/964437142.db2.gz OZFMDDMCDHPXQC-HNNXBMFYSA-N 2 0 279.428 1.367 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]C/C=C\Cl ZINC001441816763 964730511 /nfs/dbraw/zinc/73/05/11/964730511.db2.gz FETSOSSXEMMVLL-HSBNTGJMSA-N 2 0 273.808 1.173 10 0 CDAERP C[C@@H](F)CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001443070731 965343362 /nfs/dbraw/zinc/34/33/62/965343362.db2.gz KCPLFZOBCZVOPR-OLZOCXBDSA-N 2 0 285.407 1.267 10 0 CDAERP C[C@@H]([NH2+]CC1CCC1)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001443126114 965363942 /nfs/dbraw/zinc/36/39/42/965363942.db2.gz XSSJFWDSRDMOOL-CQSZACIVSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@H+](C)CCC(=O)NCC1C[NH+](CC[C@H](C)F)C1 ZINC001443645463 965548332 /nfs/dbraw/zinc/54/83/32/965548332.db2.gz SGITXTQSPAXWLB-LBPRGKRZSA-N 2 0 273.396 1.124 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001443811931 965615122 /nfs/dbraw/zinc/61/51/22/965615122.db2.gz JPAGHVSHUXKCML-UKRRQHHQSA-N 2 0 299.434 1.752 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC2CC2)CC[N@@H+]1C ZINC001444315336 965793021 /nfs/dbraw/zinc/79/30/21/965793021.db2.gz XUPPHJGRYHMRPW-AEGPPILISA-N 2 0 281.444 1.469 10 0 CDAERP C[C@H](C[NH2+]CC1CCC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001444627211 965907549 /nfs/dbraw/zinc/90/75/49/965907549.db2.gz ZQBOWNIKVZESHL-UKRRQHHQSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC001444860251 965978166 /nfs/dbraw/zinc/97/81/66/965978166.db2.gz VSFYMBZGOUMYBK-CABCVRRESA-N 2 0 283.460 1.907 10 0 CDAERP CC(C)C[N@H+](C)CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001445073785 966089501 /nfs/dbraw/zinc/08/95/01/966089501.db2.gz KXEQEJFNBRRROD-GASCZTMLSA-N 2 0 283.460 1.905 10 0 CDAERP CC1(C(=O)N2c3ccccc3[C@@H]([NH3+])C2(C)C)C[NH2+]C1 ZINC001348700460 966136808 /nfs/dbraw/zinc/13/68/08/966136808.db2.gz IKKQRKHRTQXHCG-GFCCVEGCSA-N 2 0 259.353 1.421 10 0 CDAERP CCC[N@H+](C)CC(=O)NCC12CCC[NH+](CCC1)C2 ZINC001348899419 966225292 /nfs/dbraw/zinc/22/52/92/966225292.db2.gz JOARURHAZGMITC-UHFFFAOYSA-N 2 0 267.417 1.320 10 0 CDAERP C[C@H](C[N@H+](C)CCC1CC1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001445733911 966311156 /nfs/dbraw/zinc/31/11/56/966311156.db2.gz AVVZNWCTDKEHFP-CJNGLKHVSA-N 2 0 293.455 1.565 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C1CC1 ZINC001445985573 966407013 /nfs/dbraw/zinc/40/70/13/966407013.db2.gz SPGRHIQQJKDBAB-LSDHHAIUSA-N 2 0 281.444 1.754 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH+](C)CCF)CC[N@@H+]1C ZINC001447344628 966762538 /nfs/dbraw/zinc/76/25/38/966762538.db2.gz MZJDMZHWLYZOIB-UONOGXRCSA-N 2 0 287.423 1.467 10 0 CDAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]CCC(F)(F)F ZINC001447534600 966812049 /nfs/dbraw/zinc/81/20/49/966812049.db2.gz CDZIRPCRZNBOMZ-MNOVXSKESA-N 2 0 295.349 1.327 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)CCC(C)(C)C ZINC001448147220 967016241 /nfs/dbraw/zinc/01/62/41/967016241.db2.gz KYLCSBOREFZHIJ-KBPBESRZSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001448645584 967189836 /nfs/dbraw/zinc/18/98/36/967189836.db2.gz CQWCLDHOKSXPRM-GOEBONIOSA-N 2 0 295.471 1.811 10 0 CDAERP CC(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001448645582 967190443 /nfs/dbraw/zinc/19/04/43/967190443.db2.gz CQWCLDHOKSXPRM-GDBMZVCRSA-N 2 0 295.471 1.811 10 0 CDAERP Cc1ncoc1C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001448655853 967194914 /nfs/dbraw/zinc/19/49/14/967194914.db2.gz HOKVSRUHPHVKII-AAEUAGOBSA-N 2 0 294.399 1.014 10 0 CDAERP C[C@H](F)CC[NH2+][C@@H](C)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001448707954 967218738 /nfs/dbraw/zinc/21/87/38/967218738.db2.gz NRCWRUFBALCRQR-KBPBESRZSA-N 2 0 299.434 1.799 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC001448807606 967263043 /nfs/dbraw/zinc/26/30/43/967263043.db2.gz VQAWKSRZRIUNBF-AWEZNQCLSA-N 2 0 283.460 1.812 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001480306414 967364759 /nfs/dbraw/zinc/36/47/59/967364759.db2.gz ZNKNFWZOOFXPTD-LSDHHAIUSA-N 2 0 281.444 1.422 10 0 CDAERP COCC[N@H+](C)CCN(C(=O)C[C@H]1CC[NH+](C)C1)C(C)C ZINC001449279550 967418642 /nfs/dbraw/zinc/41/86/42/967418642.db2.gz SRSXXIVBYYTIDG-OAHLLOKOSA-N 2 0 299.459 1.143 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC001455420545 968705950 /nfs/dbraw/zinc/70/59/50/968705950.db2.gz UAEODZSANIFWNM-MGPQQGTHSA-N 2 0 267.417 1.269 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001569565893 1169926338 /nfs/dbraw/zinc/92/63/38/1169926338.db2.gz GXNYUIRUPDLUFP-HNNXBMFYSA-N 2 0 281.444 1.853 10 0 CDAERP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)CC[NH+](C)C)C1 ZINC001465559622 969883307 /nfs/dbraw/zinc/88/33/07/969883307.db2.gz IATUFIXAWPNMJH-ZIAGYGMSSA-N 2 0 269.433 1.374 10 0 CDAERP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)CC[NH+](C)C)C1 ZINC001465559621 969883735 /nfs/dbraw/zinc/88/37/35/969883735.db2.gz IATUFIXAWPNMJH-UONOGXRCSA-N 2 0 269.433 1.374 10 0 CDAERP CC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+](C(C)C)C2)CC1 ZINC001361933236 970689428 /nfs/dbraw/zinc/68/94/28/970689428.db2.gz NBGDXGFIXYBDFB-OAHLLOKOSA-N 2 0 281.444 1.661 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]CCC1CC1 ZINC001495575631 972542658 /nfs/dbraw/zinc/54/26/58/972542658.db2.gz AUVNZSZFGFUERZ-CQSZACIVSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+]CC=C(Cl)Cl ZINC001495736018 972614117 /nfs/dbraw/zinc/61/41/17/972614117.db2.gz YLNIOOCNSNYTAM-SNVBAGLBSA-N 2 0 296.242 1.599 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+]Cc1ccsc1 ZINC001495810385 972646672 /nfs/dbraw/zinc/64/66/72/972646672.db2.gz AMEDSBGYCMBNQL-CYBMUJFWSA-N 2 0 297.468 1.930 10 0 CDAERP CC(C)[C@H](C(=O)N(C)[C@@H](C)C[NH2+]C/C=C\Cl)[NH+](C)C ZINC001496152429 972819813 /nfs/dbraw/zinc/81/98/13/972819813.db2.gz VYMUDOHIIIOLQO-YMVSPQSISA-N 2 0 289.851 1.762 10 0 CDAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H](C)CC[NH+](C)C)C1 ZINC001417600386 973184447 /nfs/dbraw/zinc/18/44/47/973184447.db2.gz MAODNBRDGCHINZ-HUUCEWRRSA-N 2 0 299.459 1.047 10 0 CDAERP C[NH+](C)C1(CNC(=O)CC[N@@H+]2CC[C@H](F)C2)CCCC1 ZINC001417611907 973194829 /nfs/dbraw/zinc/19/48/29/973194829.db2.gz SCQSIAOFRBERRR-ZDUSSCGKSA-N 2 0 285.407 1.411 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)CC[N@@H+]2CC[C@@H](F)C2)CC1 ZINC001417617118 973202047 /nfs/dbraw/zinc/20/20/47/973202047.db2.gz DRKBNOQNSHCWGA-CQSZACIVSA-N 2 0 299.434 1.753 10 0 CDAERP CCN(CC[NH2+]CC(C)C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001497501350 973368727 /nfs/dbraw/zinc/36/87/27/973368727.db2.gz TYWNUSQNVUQJTI-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H](F)CC[NH2+]C/C=C\CNC(=O)CC1CC[NH+](C)CC1 ZINC001497690569 973466994 /nfs/dbraw/zinc/46/69/94/973466994.db2.gz HBGDLTWWAIONRV-NQHOJNORSA-N 2 0 299.434 1.728 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2C[NH+](CC3CCC3)C2)C1 ZINC001373550488 973486960 /nfs/dbraw/zinc/48/69/60/973486960.db2.gz QKYSXDJIWCYZGB-AWEZNQCLSA-N 2 0 279.428 1.176 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC[C@H]2CCCO2)C1)[NH+](C)C ZINC001373593651 973507853 /nfs/dbraw/zinc/50/78/53/973507853.db2.gz BUOMDXWLYFXLKQ-RRFJBIMHSA-N 2 0 297.443 1.086 10 0 CDAERP CC(C)OCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001497816637 973533270 /nfs/dbraw/zinc/53/32/70/973533270.db2.gz XHAGXYINXAZMSR-HUUCEWRRSA-N 2 0 299.459 1.379 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001418043375 973546768 /nfs/dbraw/zinc/54/67/68/973546768.db2.gz HHPYAKKNWHFKHN-ILXRZTDVSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H](F)CC[NH2+]C1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001418186589 973631552 /nfs/dbraw/zinc/63/15/52/973631552.db2.gz VMCXRYMUZJDHEM-HSBZDZAISA-N 2 0 287.423 1.703 10 0 CDAERP CCC(CC)C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001498044205 973645114 /nfs/dbraw/zinc/64/51/14/973645114.db2.gz VYBVGOSONPUIIH-XJKSGUPXSA-N 2 0 295.471 1.859 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@](C)(C[NH2+]C/C=C\Cl)C1 ZINC001569680837 1169965206 /nfs/dbraw/zinc/96/52/06/1169965206.db2.gz YOIXMWRFVPJEJC-OTDCPUGPSA-N 2 0 299.846 1.661 10 0 CDAERP CC(C)C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001498526293 973967217 /nfs/dbraw/zinc/96/72/17/973967217.db2.gz OXQZMUKFWKWWPU-CYBMUJFWSA-N 2 0 255.406 1.175 10 0 CDAERP CCC[N@H+](C)CCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001374558616 974018047 /nfs/dbraw/zinc/01/80/47/974018047.db2.gz ZSIPMNWIIWHLNI-HNNXBMFYSA-N 2 0 283.460 1.907 10 0 CDAERP CC(C)[NH2+]C1(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001499371832 974245539 /nfs/dbraw/zinc/24/55/39/974245539.db2.gz QBATVMATZPTGSQ-AWEZNQCLSA-N 2 0 281.444 1.898 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001375507932 974408401 /nfs/dbraw/zinc/40/84/01/974408401.db2.gz AQSNVKQPWULOPM-GASCZTMLSA-N 2 0 293.455 1.613 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001500374473 974428748 /nfs/dbraw/zinc/42/87/48/974428748.db2.gz MWHPBMYXCKNMLK-HIFRSBDPSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@H](O)C[NH2+][C@H]1CCCCCN(C(=O)CCC[NH+](C)C)C1 ZINC001375648804 974443160 /nfs/dbraw/zinc/44/31/60/974443160.db2.gz KRZXXBOZXYEZBR-GJZGRUSLSA-N 2 0 299.459 1.070 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCCO)[C@@H]1C)[NH+](CC)CC ZINC001375664060 974448207 /nfs/dbraw/zinc/44/82/07/974448207.db2.gz VJVOBIHMUMEOIX-ILXRZTDVSA-N 2 0 299.459 1.068 10 0 CDAERP COCC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001375671160 974451325 /nfs/dbraw/zinc/45/13/25/974451325.db2.gz PUNMSSQWVQREGN-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@H](C)C[N@@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001376068373 974549864 /nfs/dbraw/zinc/54/98/64/974549864.db2.gz GHVJDUJAICTGFZ-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001376074948 974553476 /nfs/dbraw/zinc/55/34/76/974553476.db2.gz CXKCYRZBGKNFIP-HOCLYGCPSA-N 2 0 299.459 1.070 10 0 CDAERP O=C(NC[C@H]([NH2+]CC1CCC1)C1CC1)C12CC[NH+](CC1)C2 ZINC001376264295 974616499 /nfs/dbraw/zinc/61/64/99/974616499.db2.gz UPYMKUPKIMQXKV-HNNXBMFYSA-N 2 0 291.439 1.367 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CC[C@@H](CC[NH2+]CC2CCC2)C1 ZINC001501647508 974616687 /nfs/dbraw/zinc/61/66/87/974616687.db2.gz JTPOIDQKVZUOMK-MRXNPFEDSA-N 2 0 293.455 1.711 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]([NH2+]CC1CCC1)C1CC1)[NH+](C)C ZINC001376265140 974618389 /nfs/dbraw/zinc/61/83/89/974618389.db2.gz VMEGSALAXLAJSJ-HUUCEWRRSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)C[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001376386207 974648889 /nfs/dbraw/zinc/64/88/89/974648889.db2.gz DISSJKFOWLQEIR-RBSFLKMASA-N 2 0 283.460 1.857 10 0 CDAERP COC[C@H](C)[NH2+]CC[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001376558523 974687059 /nfs/dbraw/zinc/68/70/59/974687059.db2.gz DDZWCLMIZMHGNF-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001377151642 974907255 /nfs/dbraw/zinc/90/72/55/974907255.db2.gz GTOHYFRVUXYGRZ-HIFRSBDPSA-N 2 0 281.444 1.422 10 0 CDAERP C[N@H+](CCNC(=O)C12CCC[NH+](CCC1)C2)CC1CCC1 ZINC001377179777 974915283 /nfs/dbraw/zinc/91/52/83/974915283.db2.gz CTOFHLXLSUZMIV-UHFFFAOYSA-N 2 0 293.455 1.711 10 0 CDAERP CC(C)[C@H](C(=O)N1CCC(C)([NH2+]CCF)CC1)[NH+](C)C ZINC001377301837 974967721 /nfs/dbraw/zinc/96/77/21/974967721.db2.gz QJFADGJKNKRYRR-CYBMUJFWSA-N 2 0 287.423 1.513 10 0 CDAERP CCCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001505920348 975043711 /nfs/dbraw/zinc/04/37/11/975043711.db2.gz LBYPDBMBRKFLDE-HIFRSBDPSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@H](C)C[NH+]1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001377981695 975192429 /nfs/dbraw/zinc/19/24/29/975192429.db2.gz ASHXGAPRBQBSGL-ZDUSSCGKSA-N 2 0 281.444 1.422 10 0 CDAERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[N@H+](C)CC1CC1 ZINC001378108286 975243526 /nfs/dbraw/zinc/24/35/26/975243526.db2.gz BDLNUTZCDCEEMV-CYBMUJFWSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H](CCC[NH2+]CC1CC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001506946350 975268228 /nfs/dbraw/zinc/26/82/28/975268228.db2.gz KQJIXXAGRYDGQQ-UKRRQHHQSA-N 2 0 281.444 1.613 10 0 CDAERP CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)[C@H](C[NH2+]CCF)C1CC1 ZINC001507011332 975294565 /nfs/dbraw/zinc/29/45/65/975294565.db2.gz LZTSXZIRNYMHLM-LSDHHAIUSA-N 2 0 299.434 1.657 10 0 CDAERP C[C@@H](CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CCCF ZINC001507087325 975330991 /nfs/dbraw/zinc/33/09/91/975330991.db2.gz XGOINVDSAYVMLH-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001507095023 975333503 /nfs/dbraw/zinc/33/35/03/975333503.db2.gz ITXWXGMAVYJWPW-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC2CCC2)C[C@@H]1C ZINC001507339943 975422721 /nfs/dbraw/zinc/42/27/21/975422721.db2.gz OMHVIPRUPDUKJG-DZGCQCFKSA-N 2 0 281.444 1.706 10 0 CDAERP CCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001378678489 975439496 /nfs/dbraw/zinc/43/94/96/975439496.db2.gz MCANVFOWAHZMQH-CQSZACIVSA-N 2 0 283.460 1.953 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1[C@H]2C[NH+](CCF)C[C@H]21 ZINC001378704806 975448915 /nfs/dbraw/zinc/44/89/15/975448915.db2.gz ONJWZARNYNAYTA-ZQDZILKHSA-N 2 0 297.418 1.124 10 0 CDAERP CC(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001378747785 975473624 /nfs/dbraw/zinc/47/36/24/975473624.db2.gz IFHURFUUBWIIGZ-JONQDZQNSA-N 2 0 295.471 1.523 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001507628302 975516628 /nfs/dbraw/zinc/51/66/28/975516628.db2.gz SEQPBSRGJHVGRL-LSDHHAIUSA-N 2 0 299.459 1.019 10 0 CDAERP CC(C)C[C@@H](C[NH2+]C(C)C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001401280722 975560921 /nfs/dbraw/zinc/56/09/21/975560921.db2.gz LBIPSJYSZRXKSH-HOTGVXAUSA-N 2 0 295.471 1.857 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001379139916 975686765 /nfs/dbraw/zinc/68/67/65/975686765.db2.gz XPUSHOLAYYDQGG-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP Cc1nocc1C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001401633551 975751366 /nfs/dbraw/zinc/75/13/66/975751366.db2.gz XDTPNKRSEFMWPI-RISCZKNCSA-N 2 0 294.399 1.062 10 0 CDAERP C[C@H](C[NH2+]Cc1cccnc1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001401643461 975759770 /nfs/dbraw/zinc/75/97/70/975759770.db2.gz JHISLVUBYIBYAE-HIFRSBDPSA-N 2 0 290.411 1.160 10 0 CDAERP C[C@H](C[N@H+](C)CCC(C)(C)C)NC(=O)[C@H]1CCC[NH+]1C ZINC001401732564 975850855 /nfs/dbraw/zinc/85/08/55/975850855.db2.gz JWMGDUQQQJZHTR-ZIAGYGMSSA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ocnc1C)[NH+](C)C ZINC001405904660 975930924 /nfs/dbraw/zinc/93/09/24/975930924.db2.gz SEAQKVMZNDRCAZ-DGCLKSJQSA-N 2 0 296.415 1.260 10 0 CDAERP CC[NH+]1CCC2(C[C@H]2NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001398327369 975946296 /nfs/dbraw/zinc/94/62/96/975946296.db2.gz ICZKGQGXUCOLQW-LSDHHAIUSA-N 2 0 293.455 1.851 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001379625618 975963741 /nfs/dbraw/zinc/96/37/41/975963741.db2.gz LTBXFGGPKJRMTE-ZBFHGGJFSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001389785148 975987128 /nfs/dbraw/zinc/98/71/28/975987128.db2.gz UHSNSMKZOLKCFL-HOTGVXAUSA-N 2 0 293.455 1.565 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001398524011 976019058 /nfs/dbraw/zinc/01/90/58/976019058.db2.gz HSOGVCMRRKCMRG-OLZOCXBDSA-N 2 0 285.407 1.267 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001389859153 976021252 /nfs/dbraw/zinc/02/12/52/976021252.db2.gz IJXKUFDYIOCFBN-ZQDZILKHSA-N 2 0 299.434 1.846 10 0 CDAERP O=C(NCC1([NH2+]CC2CC2)CC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001401953209 976038781 /nfs/dbraw/zinc/03/87/81/976038781.db2.gz ISQSKWGURUFTFV-CABCVRRESA-N 2 0 291.439 1.652 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC2)C1)[NH+](C)C ZINC001398611463 976074909 /nfs/dbraw/zinc/07/49/09/976074909.db2.gz LKUSGSRHVGSFNC-ZNMIVQPWSA-N 2 0 281.444 1.610 10 0 CDAERP CCC(CC)C[NH+]1CC(N(C)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001402049062 976098770 /nfs/dbraw/zinc/09/87/70/976098770.db2.gz SAFXIIVEJAIIOR-HNNXBMFYSA-N 2 0 283.460 1.905 10 0 CDAERP CC[C@H](C(=O)NCC1([NH2+]Cc2ccsc2)CC1)[NH+](C)C ZINC001380099562 976242411 /nfs/dbraw/zinc/24/24/11/976242411.db2.gz FHKSLTCUPWFKJI-CYBMUJFWSA-N 2 0 295.452 1.827 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001402427977 976280030 /nfs/dbraw/zinc/28/00/30/976280030.db2.gz LMJKSWOAGWTGCM-GJZGRUSLSA-N 2 0 295.471 1.811 10 0 CDAERP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cccnc1 ZINC001399123562 976351560 /nfs/dbraw/zinc/35/15/60/976351560.db2.gz RTXDOJSMXZFEHE-ZIAGYGMSSA-N 2 0 290.411 1.018 10 0 CDAERP C[C@H](F)CC[N@H+](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001406700786 976373329 /nfs/dbraw/zinc/37/33/29/976373329.db2.gz SYEAJEVUVUJMGU-STQMWFEESA-N 2 0 285.407 1.267 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]C(C)C ZINC001390674569 976430429 /nfs/dbraw/zinc/43/04/29/976430429.db2.gz QGMOWETUQYITQS-HUUCEWRRSA-N 2 0 283.460 2.000 10 0 CDAERP CC[C@H](F)C[NH2+][C@@H](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001390695384 976441533 /nfs/dbraw/zinc/44/15/33/976441533.db2.gz CKXQUHHAPXQFQB-JSGCOSHPSA-N 2 0 287.423 1.561 10 0 CDAERP C[C@@H](CCNC(=O)CC[NH+](C)C)[NH2+]CCC(C)(C)C ZINC001390708716 976448685 /nfs/dbraw/zinc/44/86/85/976448685.db2.gz XRKJOGKJHJEYEA-ZDUSSCGKSA-N 2 0 271.449 1.859 10 0 CDAERP Cc1ncc(CN(C)CCNC(=O)[C@@H]2CCC[N@@H+]2C)s1 ZINC001390739520 976470230 /nfs/dbraw/zinc/47/02/30/976470230.db2.gz AXRLFHJECXZCEE-ZDUSSCGKSA-N 2 0 296.440 1.094 10 0 CDAERP CC(C)C[NH2+]CC1CC(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001402950525 976611787 /nfs/dbraw/zinc/61/17/87/976611787.db2.gz XSGQARHXBNBVDD-UHFFFAOYSA-N 2 0 295.471 1.859 10 0 CDAERP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]CC1CC(C)(C)C1 ZINC001402972000 976633565 /nfs/dbraw/zinc/63/35/65/976633565.db2.gz BGEQICDKRHVXRK-ZDUSSCGKSA-N 2 0 295.471 1.859 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+](C[C@@H](C)CC)C1 ZINC001391114245 976696411 /nfs/dbraw/zinc/69/64/11/976696411.db2.gz SMYJABMDMQFTJP-LSDHHAIUSA-N 2 0 283.460 1.812 10 0 CDAERP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001381413277 976810473 /nfs/dbraw/zinc/81/04/73/976810473.db2.gz BRYGQYXKCHNDKF-QWRGUYRKSA-N 2 0 291.386 1.466 10 0 CDAERP CC(C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001403405252 976937077 /nfs/dbraw/zinc/93/70/77/976937077.db2.gz HEXYKUAWOPGHNC-PHZGNYQRSA-N 2 0 293.455 1.565 10 0 CDAERP C[C@@H](CCNC(=O)CC[NH+](C)C)[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001408214994 976966922 /nfs/dbraw/zinc/96/69/22/976966922.db2.gz FUOAPRWWWJSNFZ-KBPBESRZSA-N 2 0 299.459 1.238 10 0 CDAERP CC[NH2+][C@H](CCN(C)C(=O)[C@@H](CC)[NH+](C)C)C(C)C ZINC001381709862 976985883 /nfs/dbraw/zinc/98/58/83/976985883.db2.gz AUOPTGNHZKPKMA-ZIAGYGMSSA-N 2 0 271.449 1.809 10 0 CDAERP CCC[N@@H+]1CC[C@@H](N(C)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001391617216 976992488 /nfs/dbraw/zinc/99/24/88/976992488.db2.gz MTKJGXPONPWQOX-LSDHHAIUSA-N 2 0 281.444 1.804 10 0 CDAERP CC(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001403567789 977069352 /nfs/dbraw/zinc/06/93/52/977069352.db2.gz IAMLJHKEOQTSQV-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H]1[C@@H]([NH2+]C/C=C\Cl)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001403776384 977186985 /nfs/dbraw/zinc/18/69/85/977186985.db2.gz VKUHVLKUWSXCIH-JXHFCSHNSA-N 2 0 297.830 1.414 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCF)C(C)(C)C1 ZINC001403827666 977218859 /nfs/dbraw/zinc/21/88/59/977218859.db2.gz OKTMPXYDWYTUJN-CYBMUJFWSA-N 2 0 287.423 1.514 10 0 CDAERP CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001392138847 977232357 /nfs/dbraw/zinc/23/23/57/977232357.db2.gz QMDPWPNSWRDRGE-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)CCOC ZINC001403866578 977235640 /nfs/dbraw/zinc/23/56/40/977235640.db2.gz LGKYTCUAXIJRPG-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCF)C(C)C ZINC001392216209 977265449 /nfs/dbraw/zinc/26/54/49/977265449.db2.gz IHZKEBZPBDQNJO-KGLIPLIRSA-N 2 0 287.423 1.561 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]C[C@H](C)OC)C(C)(C)C1 ZINC001382374356 977266354 /nfs/dbraw/zinc/26/63/54/977266354.db2.gz BXBRYOUWAOXAPK-UONOGXRCSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)C1CC[NH+](CC2CC2)CC1 ZINC001403977800 977293499 /nfs/dbraw/zinc/29/34/99/977293499.db2.gz HVYFSDNWWONNPV-CQSZACIVSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001404351387 977419425 /nfs/dbraw/zinc/41/94/25/977419425.db2.gz ZEKHTKXLKRQPFA-HOCLYGCPSA-N 2 0 295.471 1.953 10 0 CDAERP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001392960161 977663254 /nfs/dbraw/zinc/66/32/54/977663254.db2.gz KNXQMTNHZAQTSO-GOOCMWNKSA-N 2 0 281.444 1.850 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CCC1 ZINC001393456996 977793286 /nfs/dbraw/zinc/79/32/86/977793286.db2.gz FSLCNKHVMUEVSF-CVEARBPZSA-N 2 0 293.455 1.804 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CC1 ZINC001393469047 977794899 /nfs/dbraw/zinc/79/48/99/977794899.db2.gz WUXWMGZEJGGJBR-CABCVRRESA-N 2 0 279.428 1.413 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CCC[C@@H]1C[N@@H+](C)CC ZINC001393866583 977938942 /nfs/dbraw/zinc/93/89/42/977938942.db2.gz CJPOXIVJJULCCJ-ZIAGYGMSSA-N 2 0 287.423 1.609 10 0 CDAERP CC[C@@H](F)C[N@H+](C)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001394100056 978063790 /nfs/dbraw/zinc/06/37/90/978063790.db2.gz FFULPXLPDAQVPL-TZMCWYRMSA-N 2 0 287.423 1.513 10 0 CDAERP C[C@H](F)CC[NH2+]CC1CC(NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001674551104 1173961947 /nfs/dbraw/zinc/96/19/47/1173961947.db2.gz JOPVYFVFSSVAQZ-HSBZDZAISA-N 2 0 299.434 1.703 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]C/C=C/Cl)C1 ZINC001674554989 1173962829 /nfs/dbraw/zinc/96/28/29/1173962829.db2.gz WRHGBHCIROHDOM-HIYMKASOSA-N 2 0 299.846 1.708 10 0 CDAERP CC(C)[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001570730975 1170260091 /nfs/dbraw/zinc/26/00/91/1170260091.db2.gz YXULCZRUOWLPET-OLZOCXBDSA-N 2 0 255.406 1.316 10 0 CDAERP C[C@H](CCC[NH2+]CCC1CC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001571324941 1170366868 /nfs/dbraw/zinc/36/68/68/1170366868.db2.gz QQFJQMFVUXEUBO-HIFRSBDPSA-N 2 0 281.444 1.613 10 0 CDAERP CNc1cc(CNC(=O)N[C@@H](C)C[N@H+](C)C(C)C)ccn1 ZINC001650536629 1171159604 /nfs/dbraw/zinc/15/96/04/1171159604.db2.gz DHXXBIKJZFJKSV-LBPRGKRZSA-N 2 0 293.415 1.651 10 0 CDAERP CC1CC[NH+](CCCNC(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000618547606 349478709 /nfs/dbraw/zinc/47/87/09/349478709.db2.gz ZLEVDVYMPYHLNA-OAHLLOKOSA-N 2 0 296.459 1.502 10 0 CDAERP C[C@H](CNC(=O)N[C@@H]1CCC[N@H+](C)C1)C[NH+]1CCCC1 ZINC000618556683 349483157 /nfs/dbraw/zinc/48/31/57/349483157.db2.gz HWOKYHRGUVEYEM-ZIAGYGMSSA-N 2 0 282.432 1.112 10 0 CDAERP Cc1cc(C[NH2+]CCC2(C[NH3+])CC2)ccc1-n1cncn1 ZINC000650712501 398154893 /nfs/dbraw/zinc/15/48/93/398154893.db2.gz GOYDVRMTSQFXMI-UHFFFAOYSA-N 2 0 285.395 1.794 10 0 CDAERP Cc1c(Cl)c(C[NH2+]CCC2(C[NH3+])CC2)nn1C ZINC000650713938 398156625 /nfs/dbraw/zinc/15/66/25/398156625.db2.gz JYPVLOPCWULWPU-UHFFFAOYSA-N 2 0 256.781 1.601 10 0 CDAERP C[NH2+]Cc1ccccc1C[NH2+][C@H](CCC[NH3+])COC ZINC000650755964 398179302 /nfs/dbraw/zinc/17/93/02/398179302.db2.gz QKKCOUAXSAPKDX-OAHLLOKOSA-N 3 0 265.401 1.250 10 0 CDAERP C[C@H]([NH2+]CCc1ccc2c(c1)OC(F)(F)O2)C1C[NH2+]C1 ZINC000650760929 398182348 /nfs/dbraw/zinc/18/23/48/398182348.db2.gz OXIIJWYAMPAJDM-VIFPVBQESA-N 2 0 284.306 1.748 10 0 CDAERP Cc1cccc2c(NCC[N@@H+]3CC[C@@H](O)C3)c(C)c[nH+]c12 ZINC000624678207 342008477 /nfs/dbraw/zinc/00/84/77/342008477.db2.gz DMGPCJIGZHKNIN-CQSZACIVSA-N 2 0 285.391 1.752 10 0 CDAERP C[C@H]1C[C@@H]([N@H+](C)CCOC2CCOCC2)CCN1C ZINC000625214972 342041687 /nfs/dbraw/zinc/04/16/87/342041687.db2.gz XUHJKLQKWQLYAC-KBPBESRZSA-N 2 0 270.417 1.597 10 0 CDAERP [NH3+]CCN1CC[NH2+]C[C@H]1c1ccc2ccncc2c1 ZINC000616635557 342121093 /nfs/dbraw/zinc/12/10/93/342121093.db2.gz GUUOTPWTKULDFS-HNNXBMFYSA-N 2 0 256.353 1.140 10 0 CDAERP [NH3+]CCN1CC[NH2+][C@@H](c2ccc3cccnc3c2)C1 ZINC000616653741 342124056 /nfs/dbraw/zinc/12/40/56/342124056.db2.gz HNWHHYGBCTZBNL-OAHLLOKOSA-N 2 0 256.353 1.140 10 0 CDAERP COc1cc2[nH+]ccc(N[C@@H]3CC[NH2+][C@H]3C)c2cc1OC ZINC000629381736 361891028 /nfs/dbraw/zinc/89/10/28/361891028.db2.gz YLUZPQLDFSIQIJ-CMPLNLGQSA-N 2 0 287.363 1.836 10 0 CDAERP C[NH2+]Cc1ccccc1C[NH2+]Cc1c[nH]c(C(=O)OC)c1 ZINC000593316734 342787904 /nfs/dbraw/zinc/78/79/04/342787904.db2.gz HLLHLBCOTWWKOK-UHFFFAOYSA-N 2 0 287.363 1.811 10 0 CDAERP C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1c1ccccc1 ZINC000534017045 282161765 /nfs/dbraw/zinc/16/17/65/282161765.db2.gz COEOGYZGDFELPD-HRCADAONSA-N 2 0 287.407 1.500 10 0 CDAERP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)C1CC[NH+](C)CC1 ZINC000151345116 539073655 /nfs/dbraw/zinc/07/36/55/539073655.db2.gz UFNHJILMMMUQQE-HOCLYGCPSA-N 3 0 283.460 1.153 10 0 CDAERP COC(=O)CCCC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000600709790 342243354 /nfs/dbraw/zinc/24/33/54/342243354.db2.gz JHOOFPGBKKCZJO-KBPBESRZSA-N 2 0 268.401 1.794 10 0 CDAERP COC(=O)C(C)(C)CC[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600770690 342248785 /nfs/dbraw/zinc/24/87/85/342248785.db2.gz BQLUITTWGTYIHP-GASCZTMLSA-N 2 0 268.401 1.507 10 0 CDAERP COC(=O)c1cc(C[NH2+]CCCC[NH+](C)C)c(C)o1 ZINC000594608423 342926215 /nfs/dbraw/zinc/92/62/15/342926215.db2.gz AVDBAFAQMWVPHX-UHFFFAOYSA-N 2 0 268.357 1.806 10 0 CDAERP CC(C)[C@@H]1CC[C@H]1[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000353511487 539098219 /nfs/dbraw/zinc/09/82/19/539098219.db2.gz BNSPNTKWASWNBF-SOUVJXGZSA-N 2 0 281.444 1.598 10 0 CDAERP C[NH2+]CCC1CCN(C(=O)[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000417814142 290642685 /nfs/dbraw/zinc/64/26/85/290642685.db2.gz RSUXVTMWKQZFIE-CQSZACIVSA-N 2 0 281.444 1.613 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000594960929 342984286 /nfs/dbraw/zinc/98/42/86/342984286.db2.gz UEDMDQPSRAISBU-GXKWLTHRSA-N 2 0 266.385 1.399 10 0 CDAERP CC(C)(C)OC(=O)C1(NCCn2ccnc2)CCOCC1 ZINC000595897405 343185957 /nfs/dbraw/zinc/18/59/57/343185957.db2.gz XNMYGPIFJWSUKL-UHFFFAOYSA-N 2 0 295.383 1.364 10 0 CDAERP CCOC(=O)CC1([NH2+]C[C@@H]([NH3+])CC(C)C)CCOCC1 ZINC000596100773 343235901 /nfs/dbraw/zinc/23/59/01/343235901.db2.gz CRIDHOACZFKFKC-ZDUSSCGKSA-N 2 0 286.416 1.452 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCCN2CCCC2=O)[C@H](C)C1 ZINC000081096767 342365355 /nfs/dbraw/zinc/36/53/55/342365355.db2.gz UDLPNGHWLXXFKK-CABCVRRESA-N 2 0 281.444 1.661 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H]1CCCC12CCOCC2 ZINC000629530639 362158816 /nfs/dbraw/zinc/15/88/16/362158816.db2.gz MGOOJOPZYZSQMJ-CYBMUJFWSA-N 2 0 256.390 1.161 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000629528184 362152828 /nfs/dbraw/zinc/15/28/28/362152828.db2.gz RRPBXNQIWWHSIP-HNKHHVNMSA-N 2 0 261.413 1.675 10 0 CDAERP COc1cncc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)n1 ZINC000629532006 362162833 /nfs/dbraw/zinc/16/28/33/362162833.db2.gz IERSRFDZGNBGHC-ZDUSSCGKSA-N 2 0 276.384 1.307 10 0 CDAERP COC(=O)CCCC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000599426062 344054097 /nfs/dbraw/zinc/05/40/97/344054097.db2.gz WIBZLPADIITKMM-CQSZACIVSA-N 2 0 254.374 1.357 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000257646418 344369902 /nfs/dbraw/zinc/36/99/02/344369902.db2.gz AIBNZBRGVPOOEN-ZIAGYGMSSA-N 2 0 267.417 1.367 10 0 CDAERP CN(CCC[NH+]1CCCC1)c1nc(N)[nH+]c2c1CCCC2 ZINC000645231956 362459975 /nfs/dbraw/zinc/45/99/75/362459975.db2.gz LAKPAVIASMEPRH-UHFFFAOYSA-N 2 0 289.427 1.690 10 0 CDAERP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000262270330 344697230 /nfs/dbraw/zinc/69/72/30/344697230.db2.gz IGGLSVNKFCRCBZ-XFIYOXNOSA-N 2 0 295.471 1.987 10 0 CDAERP C[NH+](C)Cc1cccc(NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c1 ZINC000623072691 344879004 /nfs/dbraw/zinc/87/90/04/344879004.db2.gz MMKQQCKTHAIGDB-ZIAGYGMSSA-N 2 0 294.374 1.651 10 0 CDAERP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000604643590 344912254 /nfs/dbraw/zinc/91/22/54/344912254.db2.gz QQZKWJPDNRBBLJ-ZIAGYGMSSA-N 2 0 282.432 1.064 10 0 CDAERP CN[C@]1([NH3+])C=CC(O/C=C/[C@@]2([NH2+]C)C=CC=CC2)=CC1 ZINC000222112319 344955645 /nfs/dbraw/zinc/95/56/45/344955645.db2.gz GRCLUTCSFVJFGE-ZTMCPOQVSA-N 2 0 273.380 1.709 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000618554837 344980785 /nfs/dbraw/zinc/98/07/85/344980785.db2.gz JJPRFEKDIKJIHB-OLZOCXBDSA-N 2 0 270.421 1.110 10 0 CDAERP CCCc1nc(C(=O)NCCN(C)CCC[NH+](C)C)co1 ZINC000617764716 345960600 /nfs/dbraw/zinc/96/06/00/345960600.db2.gz DAFJYWONZBGLFB-UHFFFAOYSA-N 2 0 296.415 1.240 10 0 CDAERP CC(C)C[N@@H+]1CCO[C@H](CN[C@@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623340488 346069085 /nfs/dbraw/zinc/06/90/85/346069085.db2.gz KHQPGKTYTUPPHF-HZPDHXFCSA-N 2 0 297.487 1.806 10 0 CDAERP COCC[N@H+](C)CCCN[C@H]1CC[NH+](C)C(C)(C)C1 ZINC000623357058 346085286 /nfs/dbraw/zinc/08/52/86/346085286.db2.gz YCQPNYBYEUEFQL-AWEZNQCLSA-N 2 0 271.449 1.417 10 0 CDAERP CN(C)C(=O)CCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623380009 346116163 /nfs/dbraw/zinc/11/61/63/346116163.db2.gz NSLFCUKQARIZFZ-GFCCVEGCSA-N 2 0 255.406 1.317 10 0 CDAERP C[C@@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)CN1CC[NH+](C)CC1 ZINC000623402283 346165998 /nfs/dbraw/zinc/16/59/98/346165998.db2.gz FEUQOOCYDAYUKR-JKSUJKDBSA-N 3 0 296.503 1.332 10 0 CDAERP C[C@H](C[C@@](C)(O)C[NH3+])[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000085299993 179010432 /nfs/dbraw/zinc/01/04/32/179010432.db2.gz AKRZZWFVMXZBMD-VNQPRFMTSA-N 2 0 262.397 1.964 10 0 CDAERP [NH3+][C@H]1CCC[C@H]1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000085369504 179039094 /nfs/dbraw/zinc/03/90/94/179039094.db2.gz HPFGZFUPMDZDKT-CABCVRRESA-N 2 0 279.428 1.591 10 0 CDAERP CCC(CC)[C@@H](CNC(=O)[C@@H]1CCCC[C@@H]1[NH3+])[NH+](C)C ZINC000085371135 179041434 /nfs/dbraw/zinc/04/14/34/179041434.db2.gz UKBHPAFBRVSEFB-QLFBSQMISA-N 2 0 283.460 1.987 10 0 CDAERP Cc1nccn1CC[N@H+]1C[C@H](C2CC2)[NH2+]CC[C@@H]1C ZINC000085626437 179106599 /nfs/dbraw/zinc/10/65/99/179106599.db2.gz PUFBFEQJMCIGRU-SWLSCSKDSA-N 2 0 262.401 1.654 10 0 CDAERP CCC[NH+]1CCC(n2c(C)nc3c2CC[NH2+]C3)CC1 ZINC000085573872 179099506 /nfs/dbraw/zinc/09/95/06/179099506.db2.gz YXTRURFPKICKQK-UHFFFAOYSA-N 2 0 262.401 1.884 10 0 CDAERP CC[C@H](C)[C@@H]1C[N@H+](CCCn2ccnc2)CCC[NH2+]1 ZINC000085608960 179100738 /nfs/dbraw/zinc/10/07/38/179100738.db2.gz KNAQINLDXJIRHY-GJZGRUSLSA-N 2 0 264.417 1.983 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](CO)CC2)CC1(C)C ZINC000623445844 346761675 /nfs/dbraw/zinc/76/16/75/346761675.db2.gz HFQQINWKLZSJKN-MJBXVCDLSA-N 2 0 254.418 2.000 10 0 CDAERP c1ccc(C[C@@H]2CN([C@@H]3C[NH+]4CCC3CC4)CC[NH2+]2)cc1 ZINC000086124903 179235853 /nfs/dbraw/zinc/23/58/53/179235853.db2.gz YVBAJFPBTDLHIU-QZTJIDSGSA-N 2 0 285.435 1.597 10 0 CDAERP c1ccc([C@H]2C[NH2+]CCN2[C@@H]2CC[N@@H+]3CCC[C@H]23)cc1 ZINC000086177512 179247241 /nfs/dbraw/zinc/24/72/41/179247241.db2.gz OBUHPVHJUVZCQG-BRWVUGGUSA-N 2 0 271.408 1.870 10 0 CDAERP CC[C@@H]1C[NH2+][C@@](C)(CC)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086223964 179253087 /nfs/dbraw/zinc/25/30/87/179253087.db2.gz FLRMFUXBCFLKAO-KFWWJZLASA-N 2 0 253.434 1.933 10 0 CDAERP C[C@H]1C[NH2+][C@H](C(C)(C)C)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086223993 179253148 /nfs/dbraw/zinc/25/31/48/179253148.db2.gz HCDLHRRRKPVDAP-MJBXVCDLSA-N 2 0 253.434 1.789 10 0 CDAERP C[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086182685 179247716 /nfs/dbraw/zinc/24/77/16/179247716.db2.gz GTFNBTUIBGACPE-NWANDNLSSA-N 2 0 265.445 1.789 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000623565497 347635221 /nfs/dbraw/zinc/63/52/21/347635221.db2.gz PGUHWXSDFDTDBK-IHRRRGAJSA-N 2 0 280.416 1.007 10 0 CDAERP CCCN(CC[NH+]1CCCCCC1)C(=O)NC/C=C\C[NH3+] ZINC000641861787 365945600 /nfs/dbraw/zinc/94/56/00/365945600.db2.gz FAHHOJSICISEQA-WAYWQWQTSA-N 2 0 296.459 1.799 10 0 CDAERP CN(Cc1ccccc1)[C@H]1CC2(CC[C@H]1[NH3+])OCCO2 ZINC000250229841 365957419 /nfs/dbraw/zinc/95/74/19/365957419.db2.gz LTQKNQFKEBJKRK-CABCVRRESA-N 2 0 276.380 1.741 10 0 CDAERP O=C(CC[C@@H]1CCC[NH2+]1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000336109487 362930691 /nfs/dbraw/zinc/93/06/91/362930691.db2.gz HVQVKXZRAOGGON-ZFWWWQNUSA-N 2 0 265.401 1.121 10 0 CDAERP CN(CC1C[NH+](C)C1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000618193111 349397813 /nfs/dbraw/zinc/39/78/13/349397813.db2.gz JUPPRBCPBXZDHQ-UHFFFAOYSA-N 2 0 275.396 1.382 10 0 CDAERP CC(C)CCNC(=O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000104443463 186004445 /nfs/dbraw/zinc/00/44/45/186004445.db2.gz BYEUETGGURPNFM-GFCCVEGCSA-N 2 0 255.406 1.208 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000620550600 350251326 /nfs/dbraw/zinc/25/13/26/350251326.db2.gz OMUSIBGXAYADEI-CHWSQXEVSA-N 2 0 270.421 1.110 10 0 CDAERP C[C@H]1CC2(C[N@@H+]1CCOC1CCOCC1)CC[NH2+]CC2 ZINC000629538515 362955126 /nfs/dbraw/zinc/95/51/26/362955126.db2.gz NMWYITSPOJTAAZ-AWEZNQCLSA-N 2 0 282.428 1.646 10 0 CDAERP Cc1ccncc1C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000629540948 362963440 /nfs/dbraw/zinc/96/34/40/362963440.db2.gz YXYPKJPUOOMDSX-OAHLLOKOSA-N 2 0 286.383 1.277 10 0 CDAERP CCOc1cncc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000621369868 350572327 /nfs/dbraw/zinc/57/23/27/350572327.db2.gz XJWQPYOEAKKOPY-XBXGTLAGSA-N 2 0 263.385 1.910 10 0 CDAERP CCn1nccc1CC[NH+]1CCC(CC[NH3+])CC1 ZINC000621776266 350772647 /nfs/dbraw/zinc/77/26/47/350772647.db2.gz HKVRHBLIXBEYNH-UHFFFAOYSA-N 2 0 250.390 1.506 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)CCC(=O)Nc1ccccc1 ZINC000629570117 363016746 /nfs/dbraw/zinc/01/67/46/363016746.db2.gz UTWFBTJEYFSKFM-UHFFFAOYSA-N 2 0 279.384 1.183 10 0 CDAERP O[C@@H](C[NH2+]CCc1cccc2[nH]ccc21)C[NH+]1CCCC1 ZINC000629578556 363028627 /nfs/dbraw/zinc/02/86/27/363028627.db2.gz RAWHPOOBWTYOIA-HNNXBMFYSA-N 2 0 287.407 1.757 10 0 CDAERP CCOCCC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000629590717 363082794 /nfs/dbraw/zinc/08/27/94/363082794.db2.gz JFSCKQXWPAXJNZ-HNNXBMFYSA-N 2 0 270.417 1.504 10 0 CDAERP COC(=O)C1CCC([NH2+][C@@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000414941845 290940476 /nfs/dbraw/zinc/94/04/76/290940476.db2.gz MCFZBKIKMGVQAC-YWPUVAFDSA-N 2 0 254.374 1.306 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1cc(OC)ccc1OC ZINC000629652564 363252109 /nfs/dbraw/zinc/25/21/09/363252109.db2.gz HNGBSBSLLRZUSY-UHFFFAOYSA-N 2 0 282.384 1.372 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629655173 363258894 /nfs/dbraw/zinc/25/88/94/363258894.db2.gz TZALFQKZMDAZBR-SDDRHHMPSA-N 2 0 281.366 1.819 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000417748512 297271126 /nfs/dbraw/zinc/27/11/26/297271126.db2.gz ILHBLJWNVMDVCQ-DYEKYZERSA-N 2 0 280.416 1.005 10 0 CDAERP CN1CCC[C@@H]([NH2+]C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000644548284 366166104 /nfs/dbraw/zinc/16/61/04/366166104.db2.gz ZKHZACPZTUJQDZ-CABCVRRESA-N 2 0 282.815 1.927 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000357266045 283051821 /nfs/dbraw/zinc/05/18/21/283051821.db2.gz UHAIDFKFGHEWQM-UONOGXRCSA-N 2 0 269.433 1.517 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262070042 283062761 /nfs/dbraw/zinc/06/27/61/283062761.db2.gz RYYICZRCXFVCQO-GJZGRUSLSA-N 2 0 253.434 1.650 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCN2CCO)[C@@H]2CCC[C@@H]21 ZINC000453259291 283136986 /nfs/dbraw/zinc/13/69/86/283136986.db2.gz ICZSFRIUCCDSHR-QAETUUGQSA-N 2 0 295.471 1.296 10 0 CDAERP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634764883 358501157 /nfs/dbraw/zinc/50/11/57/358501157.db2.gz FCRPPFDCVHMMRI-FQLMCAECSA-N 2 0 277.412 1.119 10 0 CDAERP CC[C@@H](O)C[NH2+]Cc1ccc(CC[NH+](C)C)cc1 ZINC000644629858 366265876 /nfs/dbraw/zinc/26/58/76/366265876.db2.gz UKQXJLZLFQZLET-OAHLLOKOSA-N 2 0 250.386 1.651 10 0 CDAERP Cn1cc(C[N@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)cn1 ZINC000211943954 356581959 /nfs/dbraw/zinc/58/19/59/356581959.db2.gz ZOZRITJWLSQZLZ-UHFFFAOYSA-N 2 0 270.380 1.698 10 0 CDAERP CC1([NH+]2CCOCC2)CCC([NH+]2CCC([NH3+])CC2)CC1 ZINC000725262912 538455254 /nfs/dbraw/zinc/45/52/54/538455254.db2.gz SKZXFOZUIZHIPL-UHFFFAOYSA-N 3 0 281.444 1.443 10 0 CDAERP CCCC[C@@H](C[NH3+])NC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418453180 535353687 /nfs/dbraw/zinc/35/36/87/535353687.db2.gz OXEKZSSKWQTJLN-UONOGXRCSA-N 2 0 278.400 1.503 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2(C(N)=O)CCCC2)[C@@H]2CCC[C@@H]21 ZINC000565552702 357153923 /nfs/dbraw/zinc/15/39/23/357153923.db2.gz DDTWAQWNBFSZQP-IHRRRGAJSA-N 2 0 279.428 1.495 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000091545132 535355437 /nfs/dbraw/zinc/35/54/37/535355437.db2.gz MDGTXYFDGCWWAR-VXGBXAGGSA-N 2 0 253.390 1.104 10 0 CDAERP CC1(C[NH2+]CCCN2CCC[C@H]2C(N)=O)CCC1 ZINC000434773143 357386350 /nfs/dbraw/zinc/38/63/50/357386350.db2.gz CSECFZCHIRAURN-LBPRGKRZSA-N 2 0 253.390 1.106 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[C@H]([NH3+])C1)C[NH+]1CCCCC1 ZINC000091539536 357717277 /nfs/dbraw/zinc/71/72/77/357717277.db2.gz PHOMHSSKDPACNA-MCIONIFRSA-N 2 0 267.417 1.352 10 0 CDAERP [NH3+][C@H]1CC[C@H](C(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000091543190 357717544 /nfs/dbraw/zinc/71/75/44/357717544.db2.gz AIGSPMGZNODVLJ-GJZGRUSLSA-N 2 0 279.428 1.448 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](COC)OC)C1 ZINC000659982324 412661477 /nfs/dbraw/zinc/66/14/77/412661477.db2.gz KBNSVVXYLMDHEN-UONOGXRCSA-N 2 0 258.406 1.312 10 0 CDAERP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000623719955 358012003 /nfs/dbraw/zinc/01/20/03/358012003.db2.gz PSPVXPHGNNGCKD-ZFWWWQNUSA-N 2 0 296.459 1.643 10 0 CDAERP C[NH+](C)CCOc1ccccc1CNCc1cocn1 ZINC000192300317 358187791 /nfs/dbraw/zinc/18/77/91/358187791.db2.gz WTWDFBCPLFBOCS-UHFFFAOYSA-N 2 0 275.352 1.905 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[NH+](C)C[C@@H]2C)CC[N@@H+]1C ZINC000632253930 358197899 /nfs/dbraw/zinc/19/78/99/358197899.db2.gz GFGZLZRANGQXRN-ZOBORPQBSA-N 2 0 267.417 1.268 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@H]1CCCCCC[C@@H]1[NH3+])C2 ZINC000634750200 358234424 /nfs/dbraw/zinc/23/44/24/358234424.db2.gz PMNKPUAKSATBKD-NXNVCVFFSA-N 2 0 293.455 1.742 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2ccco2)CC1 ZINC000093146656 358587844 /nfs/dbraw/zinc/58/78/44/358587844.db2.gz BBQUYJWRWZXFDE-OAHLLOKOSA-N 2 0 277.412 1.882 10 0 CDAERP CC[NH+](CC)CC(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000370793564 358979830 /nfs/dbraw/zinc/97/98/30/358979830.db2.gz NBDHOSZIRQPHGX-UHFFFAOYSA-N 2 0 253.390 1.071 10 0 CDAERP C[C@@]1(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)CC[NH2+]C1 ZINC000261938117 359096060 /nfs/dbraw/zinc/09/60/60/359096060.db2.gz DJFNVTJJIAEHEI-JKSUJKDBSA-N 2 0 281.444 1.030 10 0 CDAERP CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000037643434 359122842 /nfs/dbraw/zinc/12/28/42/359122842.db2.gz QBRDLNVEGHTSTD-ZDUSSCGKSA-N 2 0 261.369 1.217 10 0 CDAERP COc1cc(C[NH2+]CCCC[NH+](C)C)cc2c1OCCO2 ZINC000045598402 359157158 /nfs/dbraw/zinc/15/71/58/359157158.db2.gz AESRVDYRJVFPCR-UHFFFAOYSA-N 2 0 294.395 1.898 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC[NH2+]1 ZINC000262341371 359163227 /nfs/dbraw/zinc/16/32/27/359163227.db2.gz GGIRGZJDXCMMAY-AJNGGQMLSA-N 2 0 279.428 1.317 10 0 CDAERP Cc1ccc(O)c(CNCCC[N@@H+](C)C(C)C)n1 ZINC000221377690 359242197 /nfs/dbraw/zinc/24/21/97/359242197.db2.gz IHVIJQOGGXKQMZ-UHFFFAOYSA-N 2 0 251.374 1.916 10 0 CDAERP COC(=O)CCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917626 359459865 /nfs/dbraw/zinc/45/98/65/359459865.db2.gz BGMSZZIKFFIXFL-STQMWFEESA-N 2 0 254.374 1.404 10 0 CDAERP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000348103119 359835657 /nfs/dbraw/zinc/83/56/57/359835657.db2.gz MBDXSQZNLJQPRS-MJBXVCDLSA-N 2 0 254.418 1.857 10 0 CDAERP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000348113633 359841575 /nfs/dbraw/zinc/84/15/75/359841575.db2.gz RWSQMDYAPOYAMN-KFWWJZLASA-N 2 0 295.471 1.988 10 0 CDAERP C[NH2+]C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000237081224 283496954 /nfs/dbraw/zinc/49/69/54/283496954.db2.gz ISULSAKPWVWNCZ-HNNXBMFYSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCC1CC[NH2+]CC1 ZINC000094460025 360100280 /nfs/dbraw/zinc/10/02/80/360100280.db2.gz ZGFOSIYJGLWNPV-DZGCQCFKSA-N 2 0 279.428 1.461 10 0 CDAERP Cn1cncc1CCC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000514796479 360381712 /nfs/dbraw/zinc/38/17/12/360381712.db2.gz QRKJYFIFKDGRIM-HNNXBMFYSA-N 2 0 262.401 1.380 10 0 CDAERP C[NH+](C)CC1(C(=O)NC[C@@H]2CCC[N@H+](C)C2)CCCCC1 ZINC000515360587 360477608 /nfs/dbraw/zinc/47/76/08/360477608.db2.gz UEDDEDULKBVSRT-HNNXBMFYSA-N 2 0 295.471 1.957 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000335603261 360537255 /nfs/dbraw/zinc/53/72/55/360537255.db2.gz DTWUWYWUFBFKFG-ZDUSSCGKSA-N 2 0 265.401 1.215 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000626934618 360654403 /nfs/dbraw/zinc/65/44/03/360654403.db2.gz KDQZZYPDKPDYQG-ZQDZILKHSA-N 2 0 296.459 1.547 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000626947014 360685237 /nfs/dbraw/zinc/68/52/37/360685237.db2.gz IUAHBCKYDMUUDQ-ZQDZILKHSA-N 2 0 296.459 1.547 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000246199668 360808209 /nfs/dbraw/zinc/80/82/09/360808209.db2.gz DWJSCQVSUVKERY-IHRRRGAJSA-N 2 0 267.417 1.317 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+][C@H](C)CC2(OC)CCC2)CC1 ZINC000429520814 360846468 /nfs/dbraw/zinc/84/64/68/360846468.db2.gz YKYABHGLIGASGD-MRXNPFEDSA-N 2 0 297.487 1.951 10 0 CDAERP CC1(C)NC(=O)CC[C@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000338600099 360943407 /nfs/dbraw/zinc/94/34/07/360943407.db2.gz ZISCMYZMUIIZTH-GFCCVEGCSA-N 2 0 253.390 1.119 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC000519572545 361358254 /nfs/dbraw/zinc/35/82/54/361358254.db2.gz QWNVFXZQKSMGCQ-HUUCEWRRSA-N 2 0 283.460 1.907 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000417532682 291279553 /nfs/dbraw/zinc/27/95/53/291279553.db2.gz LLOGJTOGQQMFRM-XUXIUFHCSA-N 2 0 282.432 1.380 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCC[NH2+]C1CCCCCC1 ZINC000418437442 291279616 /nfs/dbraw/zinc/27/96/16/291279616.db2.gz CVWVDHNUQWBIMF-JSGCOSHPSA-N 2 0 282.432 1.430 10 0 CDAERP C[C@@H]([NH2+][C@@H](C)C1(S(C)(=O)=O)CC1)C1CC[NH+](C)CC1 ZINC000671768099 482876017 /nfs/dbraw/zinc/87/60/17/482876017.db2.gz BHKDEPWTZONSJJ-NEPJUHHUSA-N 2 0 288.457 1.272 10 0 CDAERP O=C([C@@H]1C[NH2+]Cc2ccccc21)N1CCC2(CC[NH2+]C2)CC1 ZINC000335446839 296055951 /nfs/dbraw/zinc/05/59/51/296055951.db2.gz UAVAGFWDDOWWKO-MRXNPFEDSA-N 2 0 299.418 1.476 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C)CCC[NH+](C)C ZINC000186577254 364611889 /nfs/dbraw/zinc/61/18/89/364611889.db2.gz VDUMMENYPUZXKE-OAHLLOKOSA-N 2 0 298.475 1.700 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NCC[N@H+](C)C1CCCC1 ZINC000105124888 364689831 /nfs/dbraw/zinc/68/98/31/364689831.db2.gz BISUVEIJUIBWMT-CQSZACIVSA-N 2 0 298.475 1.890 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N1CCCN(Cc2cscn2)CC1 ZINC000580712053 364713236 /nfs/dbraw/zinc/71/32/36/364713236.db2.gz VJLOVVWVINWSSJ-LBPRGKRZSA-N 2 0 296.440 1.305 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000580209652 364901965 /nfs/dbraw/zinc/90/19/65/364901965.db2.gz DIEPTQCWKUWEHJ-RDBSUJKOSA-N 2 0 267.417 1.269 10 0 CDAERP C[S@@](=O)c1ccc(C[NH2+][C@@H]2CCc3nc[nH]c3C2)cc1 ZINC000353243255 365084404 /nfs/dbraw/zinc/08/44/04/365084404.db2.gz QEHBGQYVDJDDEV-MPBGBICISA-N 2 0 289.404 1.794 10 0 CDAERP CC(C)COC[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353515934 365270534 /nfs/dbraw/zinc/27/05/34/365270534.db2.gz IOPYPUJAUWCAKI-KLHDSHLOSA-N 2 0 284.444 1.482 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCOC[C@@H]2CCOC2)[C@H]2CCC[C@@H]21 ZINC000353531480 365281696 /nfs/dbraw/zinc/28/16/96/365281696.db2.gz VFZPOLYJNSYSDI-YVSFHVDLSA-N 2 0 296.455 1.892 10 0 CDAERP CC[NH+](CC)CCO[C@H]1CCN(C[C@H]([NH3+])CC(C)C)C1 ZINC000414744571 241362948 /nfs/dbraw/zinc/36/29/48/241362948.db2.gz OMJNTADZCVCGDO-CVEARBPZSA-N 2 0 285.476 1.793 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1CCCC[N@@H+]1CC ZINC000626975131 367117951 /nfs/dbraw/zinc/11/79/51/367117951.db2.gz PYNVHWMTSMYQCA-MELADBBJSA-N 2 0 282.432 1.301 10 0 CDAERP C[C@H]1CC[C@@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)C[NH2+]1 ZINC000627025785 367248959 /nfs/dbraw/zinc/24/89/59/367248959.db2.gz XLXXDXMLTQZZTI-ZUJMUWTESA-N 2 0 294.443 1.443 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000627060442 367318927 /nfs/dbraw/zinc/31/89/27/367318927.db2.gz ITXXWEIGWNDYCG-MELADBBJSA-N 2 0 282.432 1.158 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[N@H+](CC)C[C@@H]1CC ZINC000627158704 367587598 /nfs/dbraw/zinc/58/75/98/367587598.db2.gz BVZLBCWARMVESI-MELADBBJSA-N 2 0 282.432 1.253 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000233492704 367592620 /nfs/dbraw/zinc/59/26/20/367592620.db2.gz UESGECGYLLDCHV-KGLIPLIRSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000627163612 367593830 /nfs/dbraw/zinc/59/38/30/367593830.db2.gz QBWGBVVXKCVDON-QWHCGFSZSA-N 2 0 282.432 1.253 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000416999908 242258453 /nfs/dbraw/zinc/25/84/53/242258453.db2.gz CKZLFACAZRVBDK-UKRRQHHQSA-N 2 0 284.448 1.406 10 0 CDAERP CCCN(C(=O)NC[C@@H]1CCC[N@@H+]1C)C1CC[NH2+]CC1 ZINC000417276939 242396566 /nfs/dbraw/zinc/39/65/66/242396566.db2.gz FNHABOVMZCZEJC-AWEZNQCLSA-N 2 0 282.432 1.254 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@H]2CCC[N@@H+]2C)cc1 ZINC000417289785 242402303 /nfs/dbraw/zinc/40/23/03/242402303.db2.gz VGLIUDLEYOBZFV-SWLSCSKDSA-N 2 0 290.411 1.600 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[NH2+]1 ZINC000627208859 367706537 /nfs/dbraw/zinc/70/65/37/367706537.db2.gz ZPQUFWYNWAMZRG-RQICVUQASA-N 2 0 280.416 1.051 10 0 CDAERP CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000627199296 367686393 /nfs/dbraw/zinc/68/63/93/367686393.db2.gz UWHGVBRROMPNGJ-MGPQQGTHSA-N 2 0 282.432 1.299 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000627242019 367809326 /nfs/dbraw/zinc/80/93/26/367809326.db2.gz NXZBSVNDNWWUKG-QWHCGFSZSA-N 2 0 280.416 1.007 10 0 CDAERP [NH3+]C1(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)CCCCC1 ZINC000366626207 368368311 /nfs/dbraw/zinc/36/83/11/368368311.db2.gz AYQDUXBLJDWBGE-KGLIPLIRSA-N 2 0 279.428 1.639 10 0 CDAERP CC1(CNC(=O)NC[C@@H]([NH3+])c2ccccc2)CC[NH2+]CC1 ZINC000418456870 243101656 /nfs/dbraw/zinc/10/16/56/243101656.db2.gz UOOUMPQMSXEOMM-CQSZACIVSA-N 2 0 290.411 1.375 10 0 CDAERP CC[C@@H]1C[N@H+](CC)CCN1C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000418587717 243245853 /nfs/dbraw/zinc/24/58/53/243245853.db2.gz HBHJGSMLWZRXHA-MJBXVCDLSA-N 2 0 282.432 1.110 10 0 CDAERP CCCN(CC[NH+](CC)CC)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000418624686 243290289 /nfs/dbraw/zinc/29/02/89/243290289.db2.gz ZOJMKMYYDDENFI-LSDHHAIUSA-N 2 0 298.475 1.748 10 0 CDAERP CC[NH2+][C@H](C)CNC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000418604845 243268989 /nfs/dbraw/zinc/26/89/89/243268989.db2.gz SCBMDLJLNVVNQS-CQSZACIVSA-N 2 0 292.427 1.197 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000418677855 243332083 /nfs/dbraw/zinc/33/20/83/243332083.db2.gz SCAADMXEWPLZEP-QEJZJMRPSA-N 2 0 290.411 1.598 10 0 CDAERP CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000418689159 243341202 /nfs/dbraw/zinc/34/12/02/243341202.db2.gz BNZUHNXNKRATEL-KGLIPLIRSA-N 2 0 286.464 1.732 10 0 CDAERP CSCC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000362700316 369112405 /nfs/dbraw/zinc/11/24/05/369112405.db2.gz ALCSSURNCGMMSO-UONOGXRCSA-N 2 0 271.474 1.307 10 0 CDAERP [NH3+]Cc1cccc(-n2cc(C[C@H]3CCC[NH2+]C3)nn2)c1 ZINC000630608213 369383415 /nfs/dbraw/zinc/38/34/15/369383415.db2.gz VVKHRSHLQLROQY-CYBMUJFWSA-N 2 0 271.368 1.268 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)CC[N@@H+]1C ZINC000630748231 369964681 /nfs/dbraw/zinc/96/46/81/369964681.db2.gz CXBYHDUXQMDMNW-GBJTYRQASA-N 2 0 279.428 1.460 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC[N@@H+]1C ZINC000630859298 370094438 /nfs/dbraw/zinc/09/44/38/370094438.db2.gz CPYXFFMZVOQRHV-HRCADAONSA-N 2 0 293.455 1.804 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCn2cncc2C1 ZINC000291131951 370180152 /nfs/dbraw/zinc/18/01/52/370180152.db2.gz OHULMULJQXNENK-CYBMUJFWSA-N 2 0 262.357 1.100 10 0 CDAERP OC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000300408740 370275224 /nfs/dbraw/zinc/27/52/24/370275224.db2.gz MKTWKABFSASWTI-XQLPTFJDSA-N 2 0 252.402 1.754 10 0 CDAERP COCC[NH2+]C1CCN([C@@H](C)c2ccccn2)CC1 ZINC000565095714 370350869 /nfs/dbraw/zinc/35/08/69/370350869.db2.gz NHJZSJORSAMYGW-ZDUSSCGKSA-N 2 0 263.385 1.843 10 0 CDAERP COc1ccc(F)c(C[NH2+][C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000292941147 370453182 /nfs/dbraw/zinc/45/31/82/370453182.db2.gz AFAZFPJKLYRHJM-CYBMUJFWSA-N 2 0 295.402 1.560 10 0 CDAERP C[C@H]1C[C@@H](NC(=O)NCC2([NH3+])CCCCCC2)CC[NH2+]1 ZINC000418284718 370474565 /nfs/dbraw/zinc/47/45/65/370474565.db2.gz NETOTZMSRKWJEL-STQMWFEESA-N 2 0 282.432 1.478 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000630881994 371043363 /nfs/dbraw/zinc/04/33/63/371043363.db2.gz LUGHPOZCGMEZIP-UONOGXRCSA-N 2 0 267.417 1.175 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(C)c(OC)c1 ZINC000422764261 245228874 /nfs/dbraw/zinc/22/88/74/245228874.db2.gz PUANLWSFOSHRMJ-AWEZNQCLSA-N 2 0 266.385 1.847 10 0 CDAERP C[C@@H]([NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)[C@H]1CCC[NH2+]1 ZINC000423092425 296164850 /nfs/dbraw/zinc/16/48/50/296164850.db2.gz BVIQRGMXQUARKJ-LVQVYYBASA-N 2 0 293.455 1.898 10 0 CDAERP Cc1ccc(CC[C@@H](C)[NH2+]C[C@H](O)CN(C)C2CC2)o1 ZINC000567690500 371101674 /nfs/dbraw/zinc/10/16/74/371101674.db2.gz CQHFPNIPUCTXPJ-DOMZBBRYSA-N 2 0 280.412 1.954 10 0 CDAERP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCCOC2)CC[NH2+]CC1 ZINC000422864040 245348876 /nfs/dbraw/zinc/34/88/76/245348876.db2.gz SZQFSGUTJHMWPS-QWHCGFSZSA-N 2 0 284.400 1.076 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H](C)Cc1cccc(OC)c1 ZINC000422953844 245434337 /nfs/dbraw/zinc/43/43/37/245434337.db2.gz GRRNFHFJMDPMSR-HIFRSBDPSA-N 2 0 280.412 1.970 10 0 CDAERP CC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)NC(C)C)C1 ZINC000173912246 372522282 /nfs/dbraw/zinc/52/22/82/372522282.db2.gz DFLBRSJPLSELCQ-ZDUSSCGKSA-N 2 0 255.406 1.175 10 0 CDAERP COC(=O)C(C)(C)CC[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415053886 372789849 /nfs/dbraw/zinc/78/98/49/372789849.db2.gz KVRMKECQUYJIHF-BXUZGUMPSA-N 2 0 256.390 1.492 10 0 CDAERP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415052790 372787391 /nfs/dbraw/zinc/78/73/91/372787391.db2.gz LITMPBVWRGOPQA-KZYLPZIUSA-N 3 0 294.487 1.323 10 0 CDAERP C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)[C@@H]1CC[NH2+]C1 ZINC000415099723 372832244 /nfs/dbraw/zinc/83/22/44/372832244.db2.gz HHAIACKQCQWCDQ-VJTDZRGJSA-N 2 0 250.386 1.532 10 0 CDAERP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@H](C3CCC3)C2)CC[NH2+]1 ZINC000415125913 372844530 /nfs/dbraw/zinc/84/45/30/372844530.db2.gz QHHIJSFUGGDKAI-IPYPFGDCSA-N 2 0 252.402 1.875 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C2CCC2)CC1 ZINC000179571120 372993386 /nfs/dbraw/zinc/99/33/86/372993386.db2.gz LABAAOHQKCOKGC-OAHLLOKOSA-N 2 0 251.418 1.641 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000333446169 205327505 /nfs/dbraw/zinc/32/75/05/205327505.db2.gz WVZQVQJQEZFSPY-SOUVJXGZSA-N 2 0 296.459 1.547 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1C ZINC000341184942 373396708 /nfs/dbraw/zinc/39/67/08/373396708.db2.gz SFLZYCODWDOIAG-NFAWXSAZSA-N 2 0 294.443 1.347 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001661843001 1172453514 /nfs/dbraw/zinc/45/35/14/1172453514.db2.gz YDLSZSLAMILIMX-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@@H]1CC[NH2+][C@H](C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)C1 ZINC000253152999 374195300 /nfs/dbraw/zinc/19/53/00/374195300.db2.gz KKYQXXLWZXQXFJ-MQYQWHSLSA-N 2 0 265.401 1.070 10 0 CDAERP COCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001661857065 1172456488 /nfs/dbraw/zinc/45/64/88/1172456488.db2.gz YSLCEUKAOPMPMA-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@@H](CCC[NH3+])NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000418712304 374513415 /nfs/dbraw/zinc/51/34/15/374513415.db2.gz VDAZUYAHWIGNOK-AWEZNQCLSA-N 2 0 296.459 1.631 10 0 CDAERP CCn1nccc1CC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631888948 374563915 /nfs/dbraw/zinc/56/39/15/374563915.db2.gz AAOVWFVQIXXYSG-ZFWWWQNUSA-N 2 0 262.401 1.519 10 0 CDAERP CC1(C)C[C@@]1(C[NH3+])[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000669377235 541965085 /nfs/dbraw/zinc/96/50/85/541965085.db2.gz KSBMHCIEQVONDQ-DLBZAZTESA-N 2 0 274.408 1.998 10 0 CDAERP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CCC[NH3+] ZINC000037713256 374595998 /nfs/dbraw/zinc/59/59/98/374595998.db2.gz JUAPYABWZIXXKE-LLVKDONJSA-N 2 0 250.342 1.675 10 0 CDAERP C[C@H]1C[N@H+](C)C[C@H]1Nc1cccc(OCC[NH+](C)C)c1 ZINC000342902398 374717021 /nfs/dbraw/zinc/71/70/21/374717021.db2.gz NZNFMPLUJPVADD-XJKSGUPXSA-N 2 0 277.412 1.989 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426407912 247018359 /nfs/dbraw/zinc/01/83/59/247018359.db2.gz AADCUEFBSJJZNI-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@@H]1CN(CC[C@H]2CCC[N@@H+]2C)CC[NH+]1C[C@H](C)O ZINC000245698761 376138937 /nfs/dbraw/zinc/13/89/37/376138937.db2.gz XFZQOBYGXFDBGD-ARFHVFGLSA-N 2 0 283.460 1.248 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000638974541 376313736 /nfs/dbraw/zinc/31/37/36/376313736.db2.gz ACQWKBKZXHNTDI-ZIAGYGMSSA-N 2 0 281.444 1.837 10 0 CDAERP CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000638975748 376320823 /nfs/dbraw/zinc/32/08/23/376320823.db2.gz OTWGSHWQGJHJKM-ZIAGYGMSSA-N 2 0 281.444 1.707 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@H]([NH3+])C(C)C)CC1 ZINC000638976009 376322632 /nfs/dbraw/zinc/32/26/32/376322632.db2.gz SFKHAKMZVFALED-GFCCVEGCSA-N 2 0 255.406 1.303 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000638979573 376343026 /nfs/dbraw/zinc/34/30/26/376343026.db2.gz FRQINOKVFOJDCZ-KBPBESRZSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCC[NH+](C)C2)CC[N@@H+]1C ZINC000631487366 376303067 /nfs/dbraw/zinc/30/30/67/376303067.db2.gz IRGUMFIHGHYJBB-HZSPNIEDSA-N 2 0 267.417 1.269 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000246372561 376646973 /nfs/dbraw/zinc/64/69/73/376646973.db2.gz IDIHCIQRGRBLLH-MCIONIFRSA-N 2 0 296.459 1.641 10 0 CDAERP Cn1c2cc(C[N@@H+]3CCC[C@H](CC[NH3+])C3)ccc2oc1=O ZINC000631825577 376656795 /nfs/dbraw/zinc/65/67/95/376656795.db2.gz MWYWFYBENQHRQY-GFCCVEGCSA-N 2 0 289.379 1.692 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000246438842 376794322 /nfs/dbraw/zinc/79/43/22/376794322.db2.gz UBKNFPLMQIOMQS-HUUCEWRRSA-N 2 0 294.443 1.372 10 0 CDAERP CS[C@@H]1CC[C@@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000425388669 376992188 /nfs/dbraw/zinc/99/21/88/376992188.db2.gz WLURUCKAOBNENU-QWHCGFSZSA-N 2 0 271.474 1.496 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C(C)C)C[C@@H]1C ZINC000247518087 377140395 /nfs/dbraw/zinc/14/03/95/377140395.db2.gz YWQQECGFOICJRQ-QWHCGFSZSA-N 2 0 255.406 1.172 10 0 CDAERP Cc1cccn2c(CN3CC[N@H+](CCO)[C@H](C)C3)cnc12 ZINC000190250485 377551941 /nfs/dbraw/zinc/55/19/41/377551941.db2.gz AESANTJLMOXDER-CQSZACIVSA-N 2 0 288.395 1.141 10 0 CDAERP C[C@@H]1CC[N@H+](Cc2ccc3c[nH]nc3c2)C[C@H]1C[NH3+] ZINC000334820766 377655415 /nfs/dbraw/zinc/65/54/15/377655415.db2.gz MTKPXMNRQAOFBF-BXUZGUMPSA-N 2 0 258.369 1.980 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000334930424 377696056 /nfs/dbraw/zinc/69/60/56/377696056.db2.gz QORRXGKPTFVLKK-UONOGXRCSA-N 2 0 294.443 1.289 10 0 CDAERP CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CC[N@H+](C)[C@H]1CC ZINC000632720385 377778695 /nfs/dbraw/zinc/77/86/95/377778695.db2.gz FNGIXEAOCSASDN-CABCVRRESA-N 2 0 283.460 1.907 10 0 CDAERP C[C@@]1(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)CC[NH2+]C1 ZINC000261709293 377891587 /nfs/dbraw/zinc/89/15/87/377891587.db2.gz DJFNVTJJIAEHEI-HZPDHXFCSA-N 3 0 281.444 1.030 10 0 CDAERP CCOC(=O)[C@@]1(COC)CCC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261778774 377901480 /nfs/dbraw/zinc/90/14/80/377901480.db2.gz NRFNXPBUDGOESG-HOTGVXAUSA-N 2 0 298.427 1.278 10 0 CDAERP C[C@H](O)C[NH+]1CCC(C[NH2+]C[C@@H]2CCCCO2)CC1 ZINC000069569121 378309305 /nfs/dbraw/zinc/30/93/05/378309305.db2.gz FVATTXXJGMDNFB-ZFWWWQNUSA-N 2 0 270.417 1.238 10 0 CDAERP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@@H]2CCC(C)(C)O2)CCO1 ZINC000662324255 412892100 /nfs/dbraw/zinc/89/21/00/412892100.db2.gz STJTWVXIIUZIMG-CABCVRRESA-N 2 0 284.444 1.987 10 0 CDAERP NC(=O)c1cccc2c1CC[N@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000662327105 412898782 /nfs/dbraw/zinc/89/87/82/412898782.db2.gz JKXSODPDDNTQMK-LBPRGKRZSA-N 2 0 273.380 1.143 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000657572825 412904881 /nfs/dbraw/zinc/90/48/81/412904881.db2.gz HJSFBUVKIXQVRF-RRFJBIMHSA-N 2 0 271.449 1.416 10 0 CDAERP CCN1CCN(C(=O)[C@@H](C)[N@H+](C)C[C@@H]2CC=CCC2)CC1 ZINC000344094663 379159628 /nfs/dbraw/zinc/15/96/28/379159628.db2.gz VZPKSLKRSRVQQB-HZPDHXFCSA-N 2 0 293.455 1.827 10 0 CDAERP O=C(c1cccc2c1C[NH2+]C2)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000662339056 412908268 /nfs/dbraw/zinc/90/82/68/412908268.db2.gz RPKICBIGFHTDBY-PBHICJAKSA-N 2 0 299.418 1.894 10 0 CDAERP COCC1([NH2+]C[C@H](O)C[N@H+](C)C(C)C)CCCCC1 ZINC000662339939 412908287 /nfs/dbraw/zinc/90/82/87/412908287.db2.gz QXNHESBXLBJJKF-AWEZNQCLSA-N 2 0 272.433 1.626 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000246018161 379376852 /nfs/dbraw/zinc/37/68/52/379376852.db2.gz NJEXMRNRITXOLS-ILXRZTDVSA-N 2 0 296.459 1.452 10 0 CDAERP C[NH2+][C@@H](C)Cc1noc(-c2oc(C[NH3+])cc2C)n1 ZINC000634556077 379669281 /nfs/dbraw/zinc/66/92/81/379669281.db2.gz GAHJSFCATBDRLQ-QMMMGPOBSA-N 2 0 250.302 1.247 10 0 CDAERP C[C@H]([NH2+]Cc1ccnn1-c1cc[nH+]cc1)C1(CO)CC1 ZINC000657605265 412942274 /nfs/dbraw/zinc/94/22/74/412942274.db2.gz MLZGCTQSYDANER-LBPRGKRZSA-N 2 0 272.352 1.518 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CC2(C(=O)OC)CC2)C[C@@H]1C ZINC000450469352 251299101 /nfs/dbraw/zinc/29/91/01/251299101.db2.gz QYGDBNCTJKOSFK-STQMWFEESA-N 2 0 268.401 1.744 10 0 CDAERP CC(C)[C@@H](CNC(=O)CC[NH2+]C(C)(C)C)[NH+](C)C ZINC000040825713 184549905 /nfs/dbraw/zinc/54/99/05/184549905.db2.gz MYWWEDXDMHYZFB-GFCCVEGCSA-N 2 0 257.422 1.467 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CNC[C@H](C)C[NH+](C)C ZINC000491594206 253092580 /nfs/dbraw/zinc/09/25/80/253092580.db2.gz NTEKWEPMHKFJNO-ZDUSSCGKSA-N 2 0 287.411 1.863 10 0 CDAERP CCC(C)(C)[NH+]1CCN(C(=O)NC/C=C\C[NH3+])CC1 ZINC000655968724 412981296 /nfs/dbraw/zinc/98/12/96/412981296.db2.gz YJTTWHLPQWJWAS-WAYWQWQTSA-N 2 0 268.405 1.017 10 0 CDAERP O=C1CC[C@@H](C[NH2+]Cc2cc(-n3ccnc3)cs2)N1 ZINC000657710749 412993946 /nfs/dbraw/zinc/99/39/46/412993946.db2.gz ACUOMDKPBFVKKA-JTQLQIEISA-N 2 0 276.365 1.302 10 0 CDAERP CC[NH+]1CCC(CC[NH2+][C@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000422784840 285185159 /nfs/dbraw/zinc/18/51/59/285185159.db2.gz MLNBWIHLOGAWRN-UKRRQHHQSA-N 3 0 253.434 1.839 10 0 CDAERP CC[C@H](C(=O)NCC[N@@H+](C)C[C@@H](C)CC)[NH+](C)C ZINC001663210231 1172656239 /nfs/dbraw/zinc/65/62/39/1172656239.db2.gz ZFYGFVLMROOZMV-QWHCGFSZSA-N 2 0 257.422 1.421 10 0 CDAERP CC[NH+]1CCC(N(C)c2cccc(C(N)=[NH2+])n2)CC1 ZINC000081620978 177832747 /nfs/dbraw/zinc/83/27/47/177832747.db2.gz MGJWZJSWYNKKLE-UHFFFAOYSA-N 2 0 261.373 1.286 10 0 CDAERP C[C@H]1CCC[C@]([NH3+])(C(=O)N(C)C2CC[NH+](C)CC2)C1 ZINC000080905724 177725419 /nfs/dbraw/zinc/72/54/19/177725419.db2.gz MEACFVPNNNZSAB-SWLSCSKDSA-N 2 0 267.417 1.447 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000517234854 390237299 /nfs/dbraw/zinc/23/72/99/390237299.db2.gz UXGVSEQSJMDRBF-VXGBXAGGSA-N 2 0 255.406 1.303 10 0 CDAERP C[NH+](C)Cc1cccc(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)c1 ZINC000646937725 390300989 /nfs/dbraw/zinc/30/09/89/390300989.db2.gz QZGPAHXHQQVNIL-CVEARBPZSA-N 2 0 287.407 1.524 10 0 CDAERP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)o1 ZINC000646979487 390330697 /nfs/dbraw/zinc/33/06/97/390330697.db2.gz QXYBMAHUJMLABH-OCCSQVGLSA-N 2 0 293.411 1.849 10 0 CDAERP C[C@H](CC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)C1CC[NH2+]CC1 ZINC000647001772 390350753 /nfs/dbraw/zinc/35/07/53/390350753.db2.gz XSRAAOUYFWDDBQ-YRGRVCCFSA-N 2 0 267.417 1.126 10 0 CDAERP C[C@@H]1CCN(C(=O)c2ccccc2CC[NH3+])C[C@@H]1C[NH3+] ZINC000568151631 390441762 /nfs/dbraw/zinc/44/17/62/390441762.db2.gz HBIRZZBGPVFAIR-OCCSQVGLSA-N 2 0 275.396 1.245 10 0 CDAERP CC[C@H](C(N)=O)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000069016822 390509150 /nfs/dbraw/zinc/50/91/50/390509150.db2.gz MPHPYYIHHDSILX-VNHYZAJKSA-N 2 0 297.443 1.072 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)C2C[NH2+]C2)[C@H](C)C1 ZINC000262379285 285390572 /nfs/dbraw/zinc/39/05/72/285390572.db2.gz MTEAUVFIFYYQQJ-DYEKYZERSA-N 2 0 267.417 1.031 10 0 CDAERP [NH3+][C@@H](CC1CCCCC1)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000335052289 390823135 /nfs/dbraw/zinc/82/31/35/390823135.db2.gz NBNXUIRUVPZURK-RDJZCZTQSA-N 2 0 293.455 1.886 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CC[NH2+]C(C)C ZINC000092629519 390901815 /nfs/dbraw/zinc/90/18/15/390901815.db2.gz HOPXTVZNSZSKRT-ZDUSSCGKSA-N 2 0 255.406 1.317 10 0 CDAERP Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]C[C@H]([NH3+])CC(C)C ZINC000415096911 391021081 /nfs/dbraw/zinc/02/10/81/391021081.db2.gz BZPDSEWPNHEFIW-BXUZGUMPSA-N 2 0 266.433 1.931 10 0 CDAERP C([C@@H]1CCC[NH2+]C1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647479390 390966645 /nfs/dbraw/zinc/96/66/45/390966645.db2.gz FKPKYEQBIGAIFM-RBSFLKMASA-N 2 0 251.418 1.450 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)CC[NH2+]1 ZINC000647479480 390966661 /nfs/dbraw/zinc/96/66/61/390966661.db2.gz IYDWRYYZHJPAMH-KLHDSHLOSA-N 3 0 265.445 1.839 10 0 CDAERP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000404909083 390966755 /nfs/dbraw/zinc/96/67/55/390966755.db2.gz AYVRQUQVGAIHMM-BFHYXJOUSA-N 2 0 267.417 1.317 10 0 CDAERP COC[C@H]([NH2+]CCC[NH+]1CCCCC1)C1CCOCC1 ZINC000187710011 390990119 /nfs/dbraw/zinc/99/01/19/390990119.db2.gz IXTANTCEVANFPQ-INIZCTEOSA-N 2 0 284.444 1.894 10 0 CDAERP C[C@H](COCC(F)(F)F)N[C@H]1C[NH2+]C[C@@H](C)C1 ZINC000647549011 390992766 /nfs/dbraw/zinc/99/27/66/390992766.db2.gz FIHJZWGPZZJSKD-IVZWLZJFSA-N 2 0 254.296 1.541 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(C(C)(C)C)C2)[C@H]2CCC[C@@H]21 ZINC000353632238 391059598 /nfs/dbraw/zinc/05/95/98/391059598.db2.gz ONNOWDZKZWIDBJ-KBXIAJHMSA-N 2 0 293.455 1.848 10 0 CDAERP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)[C@@H]1C[C@H]1C1CC1 ZINC000527645408 391076623 /nfs/dbraw/zinc/07/66/23/391076623.db2.gz NJGDGMHGYDGCJJ-MXAVVETBSA-N 2 0 252.402 1.467 10 0 CDAERP CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC)C1)[NH+](CC)CC ZINC000345320324 391132602 /nfs/dbraw/zinc/13/26/02/391132602.db2.gz PBYSLAMSAHNNGE-KGLIPLIRSA-N 2 0 269.433 1.707 10 0 CDAERP C[N@@H+]1CCO[C@H]2CN(c3cc[nH+]c4cc(F)ccc43)C[C@H]21 ZINC000301652464 391281572 /nfs/dbraw/zinc/28/15/72/391281572.db2.gz KGVQTTJTESCUKR-CVEARBPZSA-N 2 0 287.338 1.893 10 0 CDAERP C[C@H](NC(=O)NC[C@@H]([NH3+])c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000418340109 391341747 /nfs/dbraw/zinc/34/17/47/391341747.db2.gz LDXFNNXXCQDIAY-NWANDNLSSA-N 2 0 290.411 1.374 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000418345527 391350431 /nfs/dbraw/zinc/35/04/31/391350431.db2.gz BPQMYBIPLQEVMH-MRVWCRGKSA-N 2 0 282.432 1.191 10 0 CDAERP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000178747804 391360736 /nfs/dbraw/zinc/36/07/36/391360736.db2.gz WYHOCIDVUYMHQF-WCQYABFASA-N 2 0 253.390 1.057 10 0 CDAERP CS[C@H]1CC[C@H]1[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000425341040 391465493 /nfs/dbraw/zinc/46/54/93/391465493.db2.gz FMSHLOJLWRYOQS-OLZOCXBDSA-N 2 0 272.458 1.705 10 0 CDAERP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](C)C2CCCC2)CC1 ZINC000411524537 391469913 /nfs/dbraw/zinc/46/99/13/391469913.db2.gz BGCRQUFLMMDBQE-CYBMUJFWSA-N 2 0 281.444 1.755 10 0 CDAERP C(c1noc2c1CCCC2)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000647980186 391475833 /nfs/dbraw/zinc/47/58/33/391475833.db2.gz GTBPCRRNLBTSCW-BETUJISGSA-N 2 0 275.396 1.985 10 0 CDAERP CS[C@@H]1CC[C@@H]1[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000425355389 391483253 /nfs/dbraw/zinc/48/32/53/391483253.db2.gz ONCPYECQDJUHTO-LSDHHAIUSA-N 2 0 285.501 1.744 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000418584703 391521091 /nfs/dbraw/zinc/52/10/91/391521091.db2.gz XPSIFYNSZKVXBP-UONOGXRCSA-N 2 0 282.432 1.254 10 0 CDAERP Cc1ccc([C@@H]([NH3+])C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1 ZINC000417831078 391499751 /nfs/dbraw/zinc/49/97/51/391499751.db2.gz HRZNPOLKWAWEDI-XNRPHZJLSA-N 2 0 275.396 1.438 10 0 CDAERP C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCC[NH+]1CCCCC1 ZINC000125127349 391573813 /nfs/dbraw/zinc/57/38/13/391573813.db2.gz ZHVIITADOOWUQB-ZIAGYGMSSA-N 2 0 267.417 1.448 10 0 CDAERP C[C@H]1CN(Cc2cc(-n3ccnc3)cs2)C[C@H](CO)O1 ZINC000527303496 391640458 /nfs/dbraw/zinc/64/04/58/391640458.db2.gz CNOMZTSEKJZTEY-WCQYABFASA-N 2 0 293.392 1.515 10 0 CDAERP O=C1C[C@H]([C@@H]2CCCC[N@@H+]2CCCC2CC[NH2+]CC2)CN1 ZINC000647991184 391680340 /nfs/dbraw/zinc/68/03/40/391680340.db2.gz HSAXYAWCEXYZRY-HOTGVXAUSA-N 2 0 293.455 1.757 10 0 CDAERP COc1cccc(NC(=O)C[C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])c1 ZINC000415022674 391727482 /nfs/dbraw/zinc/72/74/82/391727482.db2.gz VXMRNWBIXLIQLK-SDDRHHMPSA-N 2 0 279.384 1.738 10 0 CDAERP COc1ccccc1OCC[NH2+][C@H]1CN(C)C[C@H]1C ZINC000532203766 391733190 /nfs/dbraw/zinc/73/31/90/391733190.db2.gz OGJYCYOIONEMOR-OLZOCXBDSA-N 2 0 264.369 1.614 10 0 CDAERP CC(C)(C)[NH2+]CCN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415041246 391734891 /nfs/dbraw/zinc/73/48/91/391734891.db2.gz LFOGUKJHYGXOOZ-UONOGXRCSA-N 2 0 253.434 1.839 10 0 CDAERP CC1(CNC(=O)[C@@H]2[NH2+]CCCC2(C)C)CC[NH2+]CC1 ZINC000334972189 391989517 /nfs/dbraw/zinc/98/95/17/391989517.db2.gz OETCCHBVJZYCCV-LBPRGKRZSA-N 2 0 267.417 1.271 10 0 CDAERP CCCCOCC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104034 392011176 /nfs/dbraw/zinc/01/11/76/392011176.db2.gz WZIAAVDAAIBLTE-UHFFFAOYSA-N 2 0 270.417 1.600 10 0 CDAERP C[C@@H]1CC[NH2+][C@@H](C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000649319225 392011386 /nfs/dbraw/zinc/01/13/86/392011386.db2.gz PUIKMJLXMAAFGF-BXUZGUMPSA-N 2 0 285.351 1.594 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC[NH+]1[C@H](C)CCC[C@@H]1C ZINC000341056962 391947425 /nfs/dbraw/zinc/94/74/25/391947425.db2.gz JDJYNJRPPNZXAJ-OKILXGFUSA-N 2 0 269.433 1.706 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000649354265 392090874 /nfs/dbraw/zinc/09/08/74/392090874.db2.gz VCFUXTFCHFIUDE-ARFHVFGLSA-N 2 0 293.455 1.851 10 0 CDAERP CC[C@H]([NH2+]C[C@@H]1CCCN1CCOC)[C@@H]1CCOC1 ZINC000163415879 392119358 /nfs/dbraw/zinc/11/93/58/392119358.db2.gz RZHQUAHTONARRK-ILXRZTDVSA-N 2 0 270.417 1.502 10 0 CDAERP CC[C@H](C)[C@H](C[NH2+]C[C@@H](O)CN1CCCCC1)OC ZINC000381149799 392211821 /nfs/dbraw/zinc/21/18/21/392211821.db2.gz LHCWJMWSVKVYKR-ZNMIVQPWSA-N 2 0 272.433 1.484 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH+](C)C2CC2)[C@@H](C)C1 ZINC000448526330 392229910 /nfs/dbraw/zinc/22/99/10/392229910.db2.gz ZBJRMMQNIAJYER-ZFWWWQNUSA-N 2 0 296.459 1.452 10 0 CDAERP CO[C@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C(F)(F)F ZINC000423066290 392312119 /nfs/dbraw/zinc/31/21/19/392312119.db2.gz DJLPYCWAQXXAHW-KJLIAQIISA-N 2 0 266.307 1.826 10 0 CDAERP CC[N@@H+]1CC[C@H](CN[C@H](Cc2ccccc2)[C@@H](C)[NH3+])C1 ZINC000422689177 392249494 /nfs/dbraw/zinc/24/94/94/392249494.db2.gz DULYDXIHLGKPLU-DJIMGWMZSA-N 2 0 275.440 1.876 10 0 CDAERP C[C@@H](C[N@H+](C)Cc1ccccc1)N[C@@H](C)C1C[NH2+]C1 ZINC000423024061 392281969 /nfs/dbraw/zinc/28/19/69/392281969.db2.gz INTYJNVPMRUSLG-KBPBESRZSA-N 2 0 261.413 1.704 10 0 CDAERP C[C@H]1C[C@H]([NH3+])CCN1Cc1cc(-c2cnn(C)c2)no1 ZINC000567911156 392290757 /nfs/dbraw/zinc/29/07/57/392290757.db2.gz NNHVVSQYFLHXBU-CMPLNLGQSA-N 2 0 275.356 1.387 10 0 CDAERP CC[N@H+](CC(=O)NCc1ccc2c[nH+]cn2c1)C1CC1 ZINC000457972737 392308330 /nfs/dbraw/zinc/30/83/30/392308330.db2.gz GKABEZODSHFIAS-UHFFFAOYSA-N 2 0 272.352 1.435 10 0 CDAERP C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(F)c(F)c1)C1C[NH2+]C1 ZINC000423082989 392328657 /nfs/dbraw/zinc/32/86/57/392328657.db2.gz XZEMCPCKIHSJCD-JQWIXIFHSA-N 2 0 284.350 1.313 10 0 CDAERP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000423088501 392332651 /nfs/dbraw/zinc/33/26/51/392332651.db2.gz QIRWNGZBQOWGCC-KBPBESRZSA-N 2 0 266.429 1.907 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCN(c2ccccc2F)C1 ZINC000423137335 392376088 /nfs/dbraw/zinc/37/60/88/392376088.db2.gz WCUGHJPHBPGZIO-UONOGXRCSA-N 2 0 295.402 1.748 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)N[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423140035 392379594 /nfs/dbraw/zinc/37/95/94/392379594.db2.gz MAWNXQGSPSWOMU-KBMXLJTQSA-N 2 0 283.460 1.463 10 0 CDAERP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])CCO1 ZINC000423148957 392389676 /nfs/dbraw/zinc/38/96/76/392389676.db2.gz GZBNPTWCUNQBQH-NPJQDHAYSA-N 2 0 284.444 1.780 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]([NH+](C)C)CC2)C1 ZINC000568204433 392404561 /nfs/dbraw/zinc/40/45/61/392404561.db2.gz JRVJBBDPGZVVQE-UONOGXRCSA-N 2 0 267.417 1.271 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)CCCC[NH3+] ZINC000574154556 392529049 /nfs/dbraw/zinc/52/90/49/392529049.db2.gz JFMMLFBDQBJDDX-BETUJISGSA-N 2 0 255.406 1.495 10 0 CDAERP C[NH+](C)CC[C@H](NC(=O)CN1CC(C)(C)C1)C(C)(C)C ZINC000573932199 392470236 /nfs/dbraw/zinc/47/02/36/392470236.db2.gz FVVIXTKACKZNQK-ZDUSSCGKSA-N 2 0 283.460 1.811 10 0 CDAERP CCSCC[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000438001609 392514312 /nfs/dbraw/zinc/51/43/12/392514312.db2.gz RUIPSGGQAKKROC-ZDUSSCGKSA-N 2 0 259.463 1.355 10 0 CDAERP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@H]1C[C@H](C)CC[NH2+]1)CC2 ZINC000423773595 392690469 /nfs/dbraw/zinc/69/04/69/392690469.db2.gz JUGYFGYXEBAXGO-LVQVYYBASA-N 2 0 293.455 1.848 10 0 CDAERP O=C(C[C@H]1CC[NH2+]C1)Nc1cccc2c1CC[NH2+]C2 ZINC000646735627 392708895 /nfs/dbraw/zinc/70/88/95/392708895.db2.gz NDPAUKVNPAGRDD-LLVKDONJSA-N 2 0 259.353 1.270 10 0 CDAERP Cc1cc(N2CC[N@@H+](CCO)C[C@H]2C)nc(C2CC2)n1 ZINC000450958037 393030816 /nfs/dbraw/zinc/03/08/16/393030816.db2.gz VJPFAKHLTRTKJR-GFCCVEGCSA-N 2 0 276.384 1.165 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000195121995 393063811 /nfs/dbraw/zinc/06/38/11/393063811.db2.gz CRWUCXAQVYUERN-AWEZNQCLSA-N 2 0 296.459 1.644 10 0 CDAERP CC[C@H]1[NH2+]CC[C@H]1C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000646873360 393202249 /nfs/dbraw/zinc/20/22/49/393202249.db2.gz VMSDCGZKTDAFRE-QZQCMHJZSA-N 2 0 265.401 1.116 10 0 CDAERP C[C@H]1C[N@H+](CCO)CCN1CC[NH+](C)Cc1ccccc1 ZINC000452127699 393485140 /nfs/dbraw/zinc/48/51/40/393485140.db2.gz LITAFFVDBVKMJY-INIZCTEOSA-N 2 0 291.439 1.117 10 0 CDAERP C[C@@H](C[NH2+][C@@H]1CCCSCC1)N1CC[NH+](C)CC1 ZINC000657873782 413066181 /nfs/dbraw/zinc/06/61/81/413066181.db2.gz VELLDXBZMQUADC-UONOGXRCSA-N 2 0 271.474 1.498 10 0 CDAERP C[C@@H]([NH2+]Cc1cnc[nH]1)c1ccc(-n2ccnn2)cc1 ZINC000179098386 140013077 /nfs/dbraw/zinc/01/30/77/140013077.db2.gz ZCFGUBUXDNUFTO-LLVKDONJSA-N 2 0 268.324 1.841 10 0 CDAERP CC[C@H](C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000251731648 140312683 /nfs/dbraw/zinc/31/26/83/140312683.db2.gz FOTNEYRVDPMQCH-MELADBBJSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(C[NH3+])o1 ZINC000251874639 140314462 /nfs/dbraw/zinc/31/44/62/140314462.db2.gz UHIBGTDAZJHJBO-QWRGUYRKSA-N 2 0 263.341 1.047 10 0 CDAERP [NH3+]CCN(CCc1ccccc1)C(=O)C1CC[NH2+]CC1 ZINC000261812122 140393078 /nfs/dbraw/zinc/39/30/78/140393078.db2.gz WYHQXAKJFUEOFP-UHFFFAOYSA-N 2 0 275.396 1.016 10 0 CDAERP [NH3+]CCN(CCc1ccccc1)C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000261839652 140396115 /nfs/dbraw/zinc/39/61/15/140396115.db2.gz ZWVZSRJUWHWOKK-MRXNPFEDSA-N 2 0 289.423 1.406 10 0 CDAERP O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261832633 140396918 /nfs/dbraw/zinc/39/69/18/140396918.db2.gz OXAHAUXYBINLHQ-RBZJEDDUSA-N 2 0 291.439 1.365 10 0 CDAERP [NH3+][C@H]1CCCC[C@H]1CC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000261843102 140398110 /nfs/dbraw/zinc/39/81/10/140398110.db2.gz VVHCELCZTJDEKK-GJZGRUSLSA-N 2 0 279.428 1.448 10 0 CDAERP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N1CC[NH+]2CCC1CC2 ZINC000662531085 413102600 /nfs/dbraw/zinc/10/26/00/413102600.db2.gz UKWHWJSPLTXSSB-INIZCTEOSA-N 2 0 285.391 1.528 10 0 CDAERP C[NH+](C)CCOCC[NH2+]C1CC(CF)(CF)C1 ZINC000657986219 413120733 /nfs/dbraw/zinc/12/07/33/413120733.db2.gz DMLSBEHFHVQYBR-UHFFFAOYSA-N 2 0 250.333 1.242 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC[NH2+]1 ZINC000662589772 413157416 /nfs/dbraw/zinc/15/74/16/413157416.db2.gz DTEKULRSPDEKSF-IHRRRGAJSA-N 2 0 281.444 1.611 10 0 CDAERP CO[C@@H](C)[C@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658067405 413166509 /nfs/dbraw/zinc/16/65/09/413166509.db2.gz NJURKYALNTYNTG-KBPBESRZSA-N 2 0 284.444 1.890 10 0 CDAERP CO[C@@H]1CC[C@H]2OCCN(CCC[NH+]3CCCC3)[C@H]2C1 ZINC000245745321 397645050 /nfs/dbraw/zinc/64/50/50/397645050.db2.gz ADFWZESKKHNWSH-OWCLPIDISA-N 2 0 282.428 1.741 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000417678819 397634293 /nfs/dbraw/zinc/63/42/93/397634293.db2.gz KFMHQJAUZQSDEG-SRVKXCTJSA-N 2 0 272.437 1.388 10 0 CDAERP C(C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)OCC1CC1 ZINC000420404347 397702521 /nfs/dbraw/zinc/70/25/21/397702521.db2.gz RWSUGHONFZZKPI-LSDHHAIUSA-N 2 0 252.402 1.877 10 0 CDAERP CCC[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001663968020 1172796051 /nfs/dbraw/zinc/79/60/51/1172796051.db2.gz NGQNBLDGKVDSFT-ZDUSSCGKSA-N 2 0 255.406 1.319 10 0 CDAERP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1nccn1C ZINC000658105591 413204565 /nfs/dbraw/zinc/20/45/65/413204565.db2.gz BAWYBORWLLCMDL-UONOGXRCSA-N 2 0 281.448 1.343 10 0 CDAERP Cc1cc([C@@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)nn1C ZINC000658109798 413212080 /nfs/dbraw/zinc/21/20/80/413212080.db2.gz XSHYYKJDSKRINA-DZGCQCFKSA-N 2 0 295.475 1.651 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000193319568 148621035 /nfs/dbraw/zinc/62/10/35/148621035.db2.gz SJNITLWPAWJLOF-CHWSQXEVSA-N 2 0 255.406 1.447 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1C[C@H](C)[C@H]([NH3+])C1 ZINC000262104948 149018985 /nfs/dbraw/zinc/01/89/85/149018985.db2.gz VWRAGGQFFXTEHK-XHDPSFHLSA-N 2 0 271.368 1.355 10 0 CDAERP C[C@]1(C[N@@H+]2CCOCC3(CCOCC3)C2)CC[NH2+]C1 ZINC000262134608 149024698 /nfs/dbraw/zinc/02/46/98/149024698.db2.gz YOSSXYSJGVKPDQ-AWEZNQCLSA-N 2 0 268.401 1.115 10 0 CDAERP C[C@H]1CN(C(=O)NC2CC([NH+]3CCCCC3)C2)CC[NH2+]1 ZINC000335166640 150360265 /nfs/dbraw/zinc/36/02/65/150360265.db2.gz BQTHETBGYPVHIT-HSBZDZAISA-N 2 0 280.416 1.007 10 0 CDAERP NC(=O)c1csc(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000336106654 151273640 /nfs/dbraw/zinc/27/36/40/151273640.db2.gz YXRZPKVPFUKKTL-SKDRFNHKSA-N 2 0 265.382 1.815 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N(C)[C@H]1CC[NH+](C2CC2)C1 ZINC000350071261 154319568 /nfs/dbraw/zinc/31/95/68/154319568.db2.gz FZUFFUHLBAIDAY-ZFWWWQNUSA-N 2 0 296.459 1.595 10 0 CDAERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H](CC(=O)OC)[C@H]2C)C1 ZINC000354166579 156302477 /nfs/dbraw/zinc/30/24/77/156302477.db2.gz UNFQUXFKFNOBCM-APIJFGDWSA-N 2 0 282.428 1.896 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000662693885 413327743 /nfs/dbraw/zinc/32/77/43/413327743.db2.gz MQYJALJXWJVRFN-CHWSQXEVSA-N 2 0 255.406 1.350 10 0 CDAERP CCOCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001664817666 1172916146 /nfs/dbraw/zinc/91/61/46/1172916146.db2.gz JSFWTWPNUWMYNR-LSDHHAIUSA-N 2 0 299.459 1.143 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000357955998 157845646 /nfs/dbraw/zinc/84/56/46/157845646.db2.gz JMGXKEVDZAMUPG-ZIAGYGMSSA-N 2 0 286.464 1.745 10 0 CDAERP CC[N@H+](CCC1CC[NH+]([C@H]2CCNC2=O)CC1)CC(C)C ZINC000358747330 158011463 /nfs/dbraw/zinc/01/14/63/158011463.db2.gz RYYCUIPAXOZPBS-INIZCTEOSA-N 2 0 295.471 1.955 10 0 CDAERP CC[NH+](CC)CC1CC[NH+]([C@@H](C(=O)OC)C2CC2)CC1 ZINC000359587023 158298588 /nfs/dbraw/zinc/29/85/88/158298588.db2.gz DYBYSGBIXRPGHL-OAHLLOKOSA-N 2 0 282.428 1.992 10 0 CDAERP CCN(C(=O)NCCC[NH+]1CCCC1)[C@H]1CC[N@H+](C)C1 ZINC000656540368 413392096 /nfs/dbraw/zinc/39/20/96/413392096.db2.gz GSKKXAGCOGVEST-AWEZNQCLSA-N 2 0 282.432 1.208 10 0 CDAERP C[NH+](C)Cc1cccc(C(=O)N2CCC[C@H]2C[NH+](C)C)c1 ZINC000362499126 159161688 /nfs/dbraw/zinc/16/16/88/159161688.db2.gz OMYIHZLZBLKCPM-INIZCTEOSA-N 2 0 289.423 1.914 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)CC2([NH3+])CC2)[C@H](C)C1 ZINC000662745779 413420623 /nfs/dbraw/zinc/42/06/23/413420623.db2.gz OITUFWYZILOZMD-NEPJUHHUSA-N 2 0 253.390 1.057 10 0 CDAERP CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC[NH+](C)C ZINC001665425412 1172994839 /nfs/dbraw/zinc/99/48/39/1172994839.db2.gz UFIUYPXRTBEBHN-GJZGRUSLSA-N 2 0 281.444 1.804 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C3([NH2+]C4CC4)CCC3)C[C@@H]21 ZINC000662766911 413464465 /nfs/dbraw/zinc/46/44/65/413464465.db2.gz PUWRAZYHRYFMEO-KWCYVHTRSA-N 2 0 277.412 1.247 10 0 CDAERP C[C@@H](NCCC[NH+]1CCC(C)CC1)[C@H]1CC[NH2+]C1 ZINC000400411683 287024013 /nfs/dbraw/zinc/02/40/13/287024013.db2.gz UIKGBHOAMDSIDR-CABCVRRESA-N 2 0 253.434 1.696 10 0 CDAERP COc1cccc([C@@H](C[NH3+])N2CC[NH+](CC3CC3)CC2)c1 ZINC000020179582 171043952 /nfs/dbraw/zinc/04/39/52/171043952.db2.gz FYADECAPQBJBSD-QGZVFWFLSA-N 2 0 289.423 1.723 10 0 CDAERP CCC[NH+]1CCN([C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000020179516 171044096 /nfs/dbraw/zinc/04/40/96/171044096.db2.gz ZUUNMBRNUSSIBL-HNNXBMFYSA-N 2 0 265.376 1.853 10 0 CDAERP COc1ccccc1[C@H](C[NH3+])N1CCC[N@H+](C)CC1 ZINC000020217668 171079975 /nfs/dbraw/zinc/07/99/75/171079975.db2.gz GCXPGFNEHZRHKU-AWEZNQCLSA-N 2 0 263.385 1.333 10 0 CDAERP C[NH+](C)[C@H](CC[NH3+])COc1cccc2cccnc21 ZINC000020401651 171182706 /nfs/dbraw/zinc/18/27/06/171182706.db2.gz LAVVQKOAOFOLIV-CYBMUJFWSA-N 2 0 259.353 1.893 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1CC(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000653168348 412104882 /nfs/dbraw/zinc/10/48/82/412104882.db2.gz ZFCGKDPVHKIXKK-YNEHKIRRSA-N 2 0 265.401 1.295 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000653176113 412116820 /nfs/dbraw/zinc/11/68/20/412116820.db2.gz KKGKAIILUISUJK-KGLIPLIRSA-N 2 0 269.433 1.469 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@H]1C[C@@H](C)CC[NH2+]1 ZINC000653215699 412143051 /nfs/dbraw/zinc/14/30/51/412143051.db2.gz XNMFPYUNPVHNOU-SWLSCSKDSA-N 2 0 275.396 1.410 10 0 CDAERP CC[N@H+](C)[C@H](C(=O)NCCC1(C[NH3+])CC1)c1ccccc1 ZINC000653221105 412148031 /nfs/dbraw/zinc/14/80/31/412148031.db2.gz IAKMOVAQSKQAHG-HNNXBMFYSA-N 2 0 289.423 1.925 10 0 CDAERP C[NH2+][C@H](CC(C)(C)C)C(=O)NCCC1(C[NH3+])CC1 ZINC000653221369 412148321 /nfs/dbraw/zinc/14/83/21/412148321.db2.gz UDPDDKZQKPJSTB-LLVKDONJSA-N 2 0 255.406 1.256 10 0 CDAERP [NH3+]C1(CC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)CC1 ZINC000662868348 413629239 /nfs/dbraw/zinc/62/92/39/413629239.db2.gz DOOZUVQAGYKFSE-ZIAGYGMSSA-N 2 0 291.370 1.269 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cnccc2N)C1 ZINC000662855388 413614834 /nfs/dbraw/zinc/61/48/34/413614834.db2.gz XGOCRUDSDCVCHU-JTQLQIEISA-N 2 0 262.357 1.097 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000664719422 413615153 /nfs/dbraw/zinc/61/51/53/413615153.db2.gz RNNMANYRPLAPFW-NEPJUHHUSA-N 2 0 255.406 1.221 10 0 CDAERP [NH3+]C[C@H]1CCCc2ccc(C(=O)NCC3=CC[NH2+]CC3)cc21 ZINC000659306856 413698822 /nfs/dbraw/zinc/69/88/22/413698822.db2.gz ISUYOTGDTNXQJM-MRXNPFEDSA-N 2 0 299.418 1.715 10 0 CDAERP C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]C2)[C@@H]1CCC[NH3+] ZINC000659375682 413758659 /nfs/dbraw/zinc/75/86/59/413758659.db2.gz FMKVJRYDIDQIJJ-MGPQQGTHSA-N 2 0 267.417 1.352 10 0 CDAERP CCC[N@@H+]1CC[C@@H](NC(=O)NCC[NH+]2CCCC[C@H]2C)C1 ZINC000660395810 413787526 /nfs/dbraw/zinc/78/75/26/413787526.db2.gz MCJHJLDIYOSEPH-HUUCEWRRSA-N 2 0 296.459 1.644 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000659437917 413821130 /nfs/dbraw/zinc/82/11/30/413821130.db2.gz SDNOYSCKKDTENA-MGPQQGTHSA-N 2 0 282.432 1.286 10 0 CDAERP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661145315 413834013 /nfs/dbraw/zinc/83/40/13/413834013.db2.gz KKKQSYURXMBPER-KGLIPLIRSA-N 2 0 263.389 1.084 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NCCC1CC[NH+](C)CC1 ZINC000659450916 413837615 /nfs/dbraw/zinc/83/76/15/413837615.db2.gz IDQLBBYIKPMPNZ-CQSZACIVSA-N 2 0 284.448 1.391 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000659468539 413855562 /nfs/dbraw/zinc/85/55/62/413855562.db2.gz BTPUEYIBFXFCAI-BNOWGMLFSA-N 2 0 282.432 1.142 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1)C1CCCC1 ZINC000407372017 413944482 /nfs/dbraw/zinc/94/44/82/413944482.db2.gz MNMFOEKZBMUNHI-LSDHHAIUSA-N 2 0 279.428 1.508 10 0 CDAERP CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]CCN2CCCCC2)C1 ZINC000661215555 413895604 /nfs/dbraw/zinc/89/56/04/413895604.db2.gz NRFWLAPAHVIJQI-OAGGEKHMSA-N 2 0 284.444 1.628 10 0 CDAERP Cc1cncc(CC[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)n1 ZINC000665274515 414011155 /nfs/dbraw/zinc/01/11/55/414011155.db2.gz RZUZWDSYQIDCLM-GFCCVEGCSA-N 2 0 285.395 1.840 10 0 CDAERP COC[C@H](CC[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1)OC ZINC000665234534 413958883 /nfs/dbraw/zinc/95/88/83/413958883.db2.gz FIRSVXVIMITLSV-KKUMJFAQSA-N 2 0 272.433 1.938 10 0 CDAERP COC[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)C1CCOCC1 ZINC000665236107 413962827 /nfs/dbraw/zinc/96/28/27/413962827.db2.gz HMGOOTBTXNOILN-MJBXVCDLSA-N 2 0 256.390 1.288 10 0 CDAERP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000665280657 414020970 /nfs/dbraw/zinc/02/09/70/414020970.db2.gz IJIYELGCHNOEEQ-UPJWGTAASA-N 2 0 276.446 1.305 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000659618839 414027091 /nfs/dbraw/zinc/02/70/91/414027091.db2.gz BOKFWXLYWQVSHA-UKRRQHHQSA-N 2 0 298.475 1.732 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000659619734 414029411 /nfs/dbraw/zinc/02/94/11/414029411.db2.gz SKIHVENMPZOJTB-ZIAGYGMSSA-N 2 0 284.448 1.484 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN[C@@H](C)[C@@H]1CCC[NH+](C)C1 ZINC000037210248 173033300 /nfs/dbraw/zinc/03/33/00/173033300.db2.gz MLJLWJXOCHIBJF-RRFJBIMHSA-N 2 0 253.434 1.791 10 0 CDAERP CCC[NH+]1CCC([C@H](C)[NH2+]CCC(=O)OC)CC1 ZINC000037222218 173042235 /nfs/dbraw/zinc/04/22/35/173042235.db2.gz LCNQIOKYWOVFPF-LBPRGKRZSA-N 2 0 256.390 1.650 10 0 CDAERP C[NH+]1CCN(CC[NH2+]Cc2cccc(Cl)c2)CC1 ZINC000037496745 173236170 /nfs/dbraw/zinc/23/61/70/173236170.db2.gz BOAKOWNKQJNJPX-UHFFFAOYSA-N 2 0 267.804 1.677 10 0 CDAERP CC[C@H]1C[C@H]([NH2+]CCCN2CC[NH+](CC)CC2)CO1 ZINC000657307482 414157322 /nfs/dbraw/zinc/15/73/22/414157322.db2.gz DKYHDSRAWFPADR-GJZGRUSLSA-N 2 0 269.433 1.171 10 0 CDAERP CC[C@@H](C)[C@H](O)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657359305 414216626 /nfs/dbraw/zinc/21/66/26/414216626.db2.gz LLWGMMCVEFUJII-IUODEOHRSA-N 2 0 274.368 1.764 10 0 CDAERP CC(C)[C@H]([NH3+])CCN(C)Cc1nc2c(s1)C[NH2+]CC2 ZINC000663496394 414291857 /nfs/dbraw/zinc/29/18/57/414291857.db2.gz VRBYAWNKRMQELF-LLVKDONJSA-N 2 0 282.457 1.594 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCCSC2)CC1 ZINC000663506150 414304420 /nfs/dbraw/zinc/30/44/20/414304420.db2.gz QQNNJQSWJHBMJO-AWEZNQCLSA-N 2 0 299.484 1.462 10 0 CDAERP CC(C)NC(=O)[C@H]1CCC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000663504240 414305542 /nfs/dbraw/zinc/30/55/42/414305542.db2.gz WRMCLALSBDEPDJ-DZGCQCFKSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@@H]1CC[C@H](C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)O1 ZINC000657488414 414387998 /nfs/dbraw/zinc/38/79/98/414387998.db2.gz CMNZICSCTBUSLH-IUODEOHRSA-N 2 0 272.352 1.924 10 0 CDAERP C([C@H]1CCC2(C[NH2+]C2)O1)N1CC[NH2+]CC12CCCCC2 ZINC000662263698 414598927 /nfs/dbraw/zinc/59/89/27/414598927.db2.gz DCVPUCDCFSTDAR-CQSZACIVSA-N 2 0 279.428 1.116 10 0 CDAERP C[N@H+](CCn1cccn1)Cc1cccc2c1CC[NH2+]C2 ZINC000662263260 414599934 /nfs/dbraw/zinc/59/99/34/414599934.db2.gz MIZITWULLWXRQD-UHFFFAOYSA-N 2 0 270.380 1.661 10 0 CDAERP CC[C@](C)([NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1)c1nccs1 ZINC000662264555 414601029 /nfs/dbraw/zinc/60/10/29/414601029.db2.gz QWYDPNYUGHIKRL-AAEUAGOBSA-N 2 0 281.425 1.879 10 0 CDAERP [NH3+]CCC[N@@H+](Cc1ccccc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662270699 414602623 /nfs/dbraw/zinc/60/26/23/414602623.db2.gz CGBDZZUDBAPIBV-MRXNPFEDSA-N 3 0 289.423 1.358 10 0 CDAERP COc1ccc([C@H](C[NH3+])C[N@@H+]2CC[C@H]3COC[C@H]3C2)cc1 ZINC000662316168 414635137 /nfs/dbraw/zinc/63/51/37/414635137.db2.gz JBQFYGGIMQKUFD-ARFHVFGLSA-N 2 0 290.407 1.706 10 0 CDAERP COCC[C@H](C)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319375 414637092 /nfs/dbraw/zinc/63/70/92/414637092.db2.gz IKUOFPYZSUYLFE-KBPBESRZSA-N 2 0 258.406 1.454 10 0 CDAERP C[C@H](CCc1ccccc1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038030902 174023366 /nfs/dbraw/zinc/02/33/66/174023366.db2.gz PENJZHXZPPCUCG-OAHLLOKOSA-N 2 0 289.423 1.371 10 0 CDAERP [NH3+][C@H]1CCC[C@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000040693955 174377945 /nfs/dbraw/zinc/37/79/45/174377945.db2.gz CKUPQPASNLSCFV-LSDHHAIUSA-N 2 0 251.418 1.817 10 0 CDAERP CC(C)[NH+]1CCN([C@H](c2ccco2)[C@H](C)[NH3+])CC1 ZINC000043335151 175011047 /nfs/dbraw/zinc/01/10/47/175011047.db2.gz YXKUJVPLSUJHNH-JSGCOSHPSA-N 2 0 251.374 1.694 10 0 CDAERP CC[NH+]1CCC(N(C)c2nc(C)ccc2C[NH3+])CC1 ZINC000043396024 175036013 /nfs/dbraw/zinc/03/60/13/175036013.db2.gz IAEVDDBHBDYLQE-UHFFFAOYSA-N 2 0 262.401 1.769 10 0 CDAERP CN(C)C(=O)CCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000043454023 175049390 /nfs/dbraw/zinc/04/93/90/175049390.db2.gz VTFBBBXCZVJYBN-KGLIPLIRSA-N 2 0 267.417 1.319 10 0 CDAERP [NH3+]CCCC[N@@H+]1CCCN(CCOc2ccccc2)CC1 ZINC000043458044 175050469 /nfs/dbraw/zinc/05/04/69/175050469.db2.gz IWHHSACSZURTRS-UHFFFAOYSA-N 2 0 291.439 1.812 10 0 CDAERP CCOc1ccc([C@H](CN2CCC[N@H+](C)CC2)[NH2+]C)cc1 ZINC000043818142 175112908 /nfs/dbraw/zinc/11/29/08/175112908.db2.gz KWZRUAAKCLLKHR-KRWDZBQOSA-N 2 0 291.439 1.983 10 0 CDAERP C[NH2+][C@@H](CN1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000043897230 175120030 /nfs/dbraw/zinc/12/00/30/175120030.db2.gz WSKQBLOKNFXTRL-INIZCTEOSA-N 2 0 261.413 1.973 10 0 CDAERP C[C@H]([NH2+]CC1CC[NH+](C)CC1)C(=O)N1CCCCC1 ZINC000044518319 175190746 /nfs/dbraw/zinc/19/07/46/175190746.db2.gz JJYZCSYUVARENH-ZDUSSCGKSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)C(=O)Nc1ccccc1 ZINC000044518266 175191023 /nfs/dbraw/zinc/19/10/23/175191023.db2.gz GGTKNDAOGVDPTN-CYBMUJFWSA-N 2 0 275.396 1.945 10 0 CDAERP CCCNC(=O)[C@H](C)[NH2+]CC1CC[NH+](CC)CC1 ZINC000044518644 175191171 /nfs/dbraw/zinc/19/11/71/175191171.db2.gz SILQLLRBWYYRDT-LBPRGKRZSA-N 2 0 255.406 1.223 10 0 CDAERP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC1CC[NH+](CC)CC1 ZINC000044526752 175191804 /nfs/dbraw/zinc/19/18/04/175191804.db2.gz VAVMGDWQXNMRBV-DGCLKSJQSA-N 2 0 255.406 1.208 10 0 CDAERP C[C@H]1C[NH2+]C[C@H](C)CN(C[C@@H]2CCCC[N@@H+]2C)C1 ZINC000044564237 175207552 /nfs/dbraw/zinc/20/75/52/175207552.db2.gz IVIBUYXEWWNMFU-KKUMJFAQSA-N 2 0 253.434 1.648 10 0 CDAERP CCC[NH2+]CC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000044650767 175224771 /nfs/dbraw/zinc/22/47/71/175224771.db2.gz IVRIKUSPHHFGFK-ZDUSSCGKSA-N 2 0 255.406 1.224 10 0 CDAERP CC[N@@H+]1CC[C@@H](CNC(=O)C2(C[NH3+])CCCCCC2)C1 ZINC000044763030 175247183 /nfs/dbraw/zinc/24/71/83/175247183.db2.gz OVNUFZDCYGYKHD-AWEZNQCLSA-N 2 0 281.444 1.744 10 0 CDAERP C[N@@H+]1CCC[C@@H](CNC(=O)C2(C[NH3+])CCCCC2)C1 ZINC000044764398 175248682 /nfs/dbraw/zinc/24/86/82/175248682.db2.gz GVEUNPAOAYIHSB-ZDUSSCGKSA-N 2 0 267.417 1.354 10 0 CDAERP CC[NH+](CC)CCNC(=O)[C@@H](C[NH3+])Cc1ccccc1 ZINC000044793411 175254308 /nfs/dbraw/zinc/25/43/08/175254308.db2.gz SUWODDAQEHPNGA-OAHLLOKOSA-N 2 0 277.412 1.262 10 0 CDAERP C[C@@H]([NH3+])c1ccc(NC(=O)NC[C@H](C)[NH+](C)C)cc1 ZINC000045114006 175310909 /nfs/dbraw/zinc/31/09/09/175310909.db2.gz QZHCGOWLCAVMKN-WDEREUQCSA-N 2 0 264.373 1.778 10 0 CDAERP CC(C)[C@@H](C[NH3+])C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000045135571 175313424 /nfs/dbraw/zinc/31/34/24/175313424.db2.gz FJYICNQQNLDRKL-QWHCGFSZSA-N 2 0 255.406 1.064 10 0 CDAERP CCC[NH2+][C@@](C)(CCC[N@@H+]1CCC[C@@H]1CC)C(N)=O ZINC000045367539 175362992 /nfs/dbraw/zinc/36/29/92/175362992.db2.gz PSLBPPDSTDSRJJ-ZFWWWQNUSA-N 2 0 269.433 1.885 10 0 CDAERP CCC[NH2+][C@@](C)(CCC[N@H+]1C[C@H](C)C[C@H](C)C1)C(N)=O ZINC000045373624 175365764 /nfs/dbraw/zinc/36/57/64/175365764.db2.gz NLDYKSQYBVSUFD-LZWOXQAQSA-N 2 0 283.460 1.988 10 0 CDAERP CC(C)C[NH+](CCCC[C@@](C)([NH3+])C(N)=O)CC(C)C ZINC000045420394 175378792 /nfs/dbraw/zinc/37/87/92/175378792.db2.gz LLYWRWVLLZFKLS-OAHLLOKOSA-N 2 0 271.449 1.973 10 0 CDAERP CC[C@H]1CN(C[C@@H](C[NH3+])c2ccccc2)CC[N@@H+]1C ZINC000070942707 176015958 /nfs/dbraw/zinc/01/59/58/176015958.db2.gz BEQRMMNBAXDCDQ-CVEARBPZSA-N 2 0 261.413 1.755 10 0 CDAERP CC(C)[NH2+][C@H]1CCN(CCC[NH+]2CCCC2)C1=O ZINC000071031410 176022736 /nfs/dbraw/zinc/02/27/36/176022736.db2.gz HOLSABQGEMMLMH-ZDUSSCGKSA-N 2 0 253.390 1.071 10 0 CDAERP CCC[NH2+][C@@H]1CCN([C@H](C)C[NH+](CC)CC)C1=O ZINC000071034738 176024859 /nfs/dbraw/zinc/02/48/59/176024859.db2.gz NEXDZTAMFDCYQX-CHWSQXEVSA-N 2 0 255.406 1.317 10 0 CDAERP CC(C)[NH2+][C@@H]1CCCN([C@H](C)CC[NH+](C)C)C1=O ZINC000071037253 176025930 /nfs/dbraw/zinc/02/59/30/176025930.db2.gz WUUBQGTVYHCFIB-CHWSQXEVSA-N 2 0 255.406 1.316 10 0 CDAERP CC[C@@H]1CCC[C@@H]([NH2+]CCN2CC[NH+](C)CC2)C1 ZINC000071117882 176034202 /nfs/dbraw/zinc/03/42/02/176034202.db2.gz KOQSADLYTBECCM-HUUCEWRRSA-N 2 0 253.434 1.792 10 0 CDAERP CC[C@@H]1CCC[C@@](C[NH3+])(N2CC[C@H]([NH+](C)C)C2)C1 ZINC000071124798 176035264 /nfs/dbraw/zinc/03/52/64/176035264.db2.gz OYTGFUASKOLELI-QLFBSQMISA-N 2 0 253.434 1.920 10 0 CDAERP Cc1cc([C@@H](C)[N@H+](C)CCN2CC[NH2+]CC2)c(C)o1 ZINC000071148665 176044721 /nfs/dbraw/zinc/04/47/21/176044721.db2.gz ZIQBREGHMSIUJY-CYBMUJFWSA-N 2 0 265.401 1.794 10 0 CDAERP C[N@H+](CCC(=O)Nc1ccccc1N)C[C@@H]1CC[NH+](C)C1 ZINC000071187683 176060851 /nfs/dbraw/zinc/06/08/51/176060851.db2.gz LQHPZZODRFSEBP-CYBMUJFWSA-N 2 0 290.411 1.481 10 0 CDAERP CN(C[C@H]1CC[N@H+](C)C1)[C@@H](C[NH3+])c1cccs1 ZINC000071187978 176061373 /nfs/dbraw/zinc/06/13/73/176061373.db2.gz TYLWFKVCGCNBJF-RYUDHWBXSA-N 2 0 253.415 1.631 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)[C@@H](C[NH3+])c1cccs1 ZINC000071187979 176061747 /nfs/dbraw/zinc/06/17/47/176061747.db2.gz TYLWFKVCGCNBJF-NEPJUHHUSA-N 2 0 253.415 1.631 10 0 CDAERP COc1cccc([C@H]([C@@H](C)[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000071187943 176062103 /nfs/dbraw/zinc/06/21/03/176062103.db2.gz CRZNAOLQKLZAON-CPUCHLNUSA-N 2 0 291.439 1.967 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000071192005 176072642 /nfs/dbraw/zinc/07/26/42/176072642.db2.gz MVHLKRBVDDBNIA-CYBMUJFWSA-N 2 0 276.384 1.561 10 0 CDAERP CCC[NH2+][C@H]1CCCN(C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000071197064 176076567 /nfs/dbraw/zinc/07/65/67/176076567.db2.gz DFDFMQZFTZTPIX-GJZGRUSLSA-N 2 0 253.434 1.935 10 0 CDAERP CN(CC[NH+]1CCCC1)Cc1ccc(F)cc1C[NH3+] ZINC000071263714 176096969 /nfs/dbraw/zinc/09/69/69/176096969.db2.gz WMEZFQJQPUGLEC-UHFFFAOYSA-N 2 0 265.376 1.812 10 0 CDAERP [NH3+][C@@H](CCC(=O)N[C@@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC000071400122 176152782 /nfs/dbraw/zinc/15/27/82/176152782.db2.gz YJGZOWWVQZVENW-JKSUJKDBSA-N 2 0 287.407 1.677 10 0 CDAERP CC[NH+](CC)CCNC(=O)CC[C@@H](CC[NH3+])C(C)C ZINC000079253989 177458876 /nfs/dbraw/zinc/45/88/76/177458876.db2.gz IIAWMKAPJDDLAN-AWEZNQCLSA-N 2 0 271.449 1.846 10 0 CDAERP CCC[NH2+]CC1(NC(=O)C[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001665958922 1173092336 /nfs/dbraw/zinc/09/23/36/1173092336.db2.gz FXORKWDEJYZUSM-CQSZACIVSA-N 2 0 281.444 1.757 10 0 CDAERP CCCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001666553661 1173150339 /nfs/dbraw/zinc/15/03/39/1173150339.db2.gz WLRMWUSZTBCDAG-MGPQQGTHSA-N 2 0 269.433 1.469 10 0 CDAERP COCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001666630449 1173164148 /nfs/dbraw/zinc/16/41/48/1173164148.db2.gz WSICSDYCLKJSPP-GJZGRUSLSA-N 2 0 299.459 1.238 10 0 CDAERP CCCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001666870297 1173197587 /nfs/dbraw/zinc/19/75/87/1173197587.db2.gz JOMJSVOXYAUBAZ-KGLIPLIRSA-N 2 0 269.433 1.707 10 0 CDAERP C[N@H+](Cc1ccccc1)[C@H]1CCN(C[C@H]2C[NH2+]CCO2)C1 ZINC000662261693 423806420 /nfs/dbraw/zinc/80/64/20/423806420.db2.gz ABXOPSHYZUSOCT-DLBZAZTESA-N 2 0 289.423 1.181 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@@](C)(C(F)F)C2)CC[NH2+]1 ZINC000663513040 423903367 /nfs/dbraw/zinc/90/33/67/423903367.db2.gz ICXXEFUYYRFJKK-NQBHXWOUSA-N 2 0 262.344 1.731 10 0 CDAERP NC(=O)C[C@H]1CCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000652338573 424257000 /nfs/dbraw/zinc/25/70/00/424257000.db2.gz ZOWHDSKYAVNMFB-CYBMUJFWSA-N 2 0 287.407 1.420 10 0 CDAERP CCO[C@@H]1C[N@H+](CC[C@H]2CCCCO2)C[C@H]1C[NH3+] ZINC000652355838 424297527 /nfs/dbraw/zinc/29/75/27/424297527.db2.gz JNGFJVRZIXSMII-MGPQQGTHSA-N 2 0 256.390 1.241 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000662702925 424345161 /nfs/dbraw/zinc/34/51/61/424345161.db2.gz DERJEQZBOLLRRQ-GJZGRUSLSA-N 2 0 293.386 1.469 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)NCCCCC[NH+]2CCCC2)C1 ZINC000652417826 424410476 /nfs/dbraw/zinc/41/04/76/424410476.db2.gz HXMAVRUNYMSELM-OAHLLOKOSA-N 2 0 296.459 1.646 10 0 CDAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CC[C@@H](C)SC1 ZINC000655757601 424446671 /nfs/dbraw/zinc/44/66/71/424446671.db2.gz UXAMRUYXROCFTB-KFWWJZLASA-N 2 0 285.501 1.886 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000665272898 424483515 /nfs/dbraw/zinc/48/35/15/424483515.db2.gz NFTUXXYEFYRWSE-JURCDPSOSA-N 2 0 264.417 1.847 10 0 CDAERP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)CC[NH2+]C2CC2)C1 ZINC000655485922 424500199 /nfs/dbraw/zinc/50/01/99/424500199.db2.gz LISZVHKCGMXONX-SNPRPXQTSA-N 2 0 295.427 1.016 10 0 CDAERP [NH3+]CCC[C@H](NC(=O)CC1([NH3+])CC1)c1ccccc1 ZINC000662814699 424502980 /nfs/dbraw/zinc/50/29/80/424502980.db2.gz LNXXDBQWXFGGPT-ZDUSSCGKSA-N 2 0 261.369 1.464 10 0 CDAERP CC(C)[NH2+]CC[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001667285313 1173252168 /nfs/dbraw/zinc/25/21/68/1173252168.db2.gz QVBHDVGLGBXODY-CQSZACIVSA-N 2 0 269.433 1.707 10 0 CDAERP C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@H]1C[NH2+]CCCF ZINC001667399732 1173263454 /nfs/dbraw/zinc/26/34/54/1173263454.db2.gz CIDQMKNTVVPSPI-CABCVRRESA-N 2 0 299.434 1.659 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1cnc(C)cc1C ZINC000397022118 270345824 /nfs/dbraw/zinc/34/58/24/270345824.db2.gz MKWPYPMBXQUVFO-CQSZACIVSA-N 2 0 251.374 1.542 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1cnc(C)cc1C ZINC000397022112 270345860 /nfs/dbraw/zinc/34/58/60/270345860.db2.gz MKWPYPMBXQUVFO-AWEZNQCLSA-N 2 0 251.374 1.542 10 0 CDAERP C[C@H]1C[C@@H](C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)CC[NH2+]1 ZINC000530247896 271183429 /nfs/dbraw/zinc/18/34/29/271183429.db2.gz CPNFKTSOODAXOJ-FQUUOJAGSA-N 2 0 286.441 1.026 10 0 CDAERP CCCC[NH2+]CC[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001668059356 1173363413 /nfs/dbraw/zinc/36/34/13/1173363413.db2.gz FGMOMUJGWKWPST-ZFWWWQNUSA-N 2 0 281.444 1.613 10 0 CDAERP C(C[NH+]1CCCCCC1)N[C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261988623 275391179 /nfs/dbraw/zinc/39/11/79/275391179.db2.gz SLQZBUZAGALIGE-BRWVUGGUSA-N 2 0 295.471 1.609 10 0 CDAERP C[N@@H+]1CCO[C@@H]2CN(c3cc[nH+]c4cc(F)ccc43)C[C@@H]21 ZINC000153107047 277124981 /nfs/dbraw/zinc/12/49/81/277124981.db2.gz KGVQTTJTESCUKR-JKSUJKDBSA-N 2 0 287.338 1.893 10 0 CDAERP CN1CC[C@@H]([NH2+]CCC[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000420399861 277138147 /nfs/dbraw/zinc/13/81/47/277138147.db2.gz IIFKNSUBQDGYOU-ZIAGYGMSSA-N 2 0 269.339 1.648 10 0 CDAERP CC1(C)CN(C(=O)c2ccc3c(c2)C[NH2+]C3)CC[C@@H]1[NH3+] ZINC000335921672 278323446 /nfs/dbraw/zinc/32/34/46/278323446.db2.gz FTBMKBZLRRKJED-AWEZNQCLSA-N 2 0 273.380 1.489 10 0 CDAERP CC[NH+](CC)CCCN1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000419333036 279096487 /nfs/dbraw/zinc/09/64/87/279096487.db2.gz ICHWXRQSLOZSDX-CABCVRRESA-N 2 0 271.449 1.105 10 0 CDAERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@@](C)(O)CC)C1 ZINC000444593784 279109999 /nfs/dbraw/zinc/10/99/99/279109999.db2.gz HEDUESBDCUDTOS-CABCVRRESA-N 2 0 272.433 1.580 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)C1CCCCC1 ZINC000067592700 279203305 /nfs/dbraw/zinc/20/33/05/279203305.db2.gz DZXRILOZEPKVAD-UHFFFAOYSA-N 2 0 269.433 1.707 10 0 CDAERP C[C@H](C[NH2+][C@@H](C)[C@H]1CC1(C)C)CN1CC[NH+](C)CC1 ZINC000487324218 279348485 /nfs/dbraw/zinc/34/84/85/279348485.db2.gz TVXHCFAWIUWLPT-QLFBSQMISA-N 2 0 267.461 1.894 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000232623679 279358740 /nfs/dbraw/zinc/35/87/40/279358740.db2.gz YYJKCXOZRXQDOX-LBPRGKRZSA-N 2 0 255.406 1.221 10 0 CDAERP C1=C(C[NH2+]CCCC[NH+]2CCOCC2)COCC1 ZINC000126525040 279501687 /nfs/dbraw/zinc/50/16/87/279501687.db2.gz WDMZSLHWAPWRPB-UHFFFAOYSA-N 2 0 254.374 1.035 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000194145298 280025153 /nfs/dbraw/zinc/02/51/53/280025153.db2.gz IWLFANAXEFQXJY-KGLIPLIRSA-N 2 0 284.448 1.500 10 0 CDAERP CC[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000357557627 280335769 /nfs/dbraw/zinc/33/57/69/280335769.db2.gz YZFCKZXVGXDMBP-DZGCQCFKSA-N 2 0 293.455 1.992 10 0 CDAERP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)COC(C)(C)C ZINC000247708242 280344770 /nfs/dbraw/zinc/34/47/70/280344770.db2.gz ZLOBOCKSASJNMN-CABCVRRESA-N 2 0 286.460 1.969 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000261811737 288289795 /nfs/dbraw/zinc/28/97/95/288289795.db2.gz SKVAGPXAQYJQTL-QLFBSQMISA-N 2 0 279.428 1.604 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000519633672 281033775 /nfs/dbraw/zinc/03/37/75/281033775.db2.gz UTENMWKTTBUQQD-QLFBSQMISA-N 2 0 296.459 1.548 10 0 CDAERP c1cn([C@H]2CCC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)nn1 ZINC000520823845 281058552 /nfs/dbraw/zinc/05/85/52/281058552.db2.gz NWYJTKOHDGFFCJ-KRWDZBQOSA-N 2 0 297.406 1.761 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000134586898 288301565 /nfs/dbraw/zinc/30/15/65/288301565.db2.gz MUYYTVXNJZSGBZ-MGPQQGTHSA-N 2 0 265.401 1.071 10 0 CDAERP CC1(C)CN(C(=O)C[C@@H]2CCC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000335734502 281165884 /nfs/dbraw/zinc/16/58/84/281165884.db2.gz OOEPLZUHZDPBJA-OLZOCXBDSA-N 2 0 267.417 1.352 10 0 CDAERP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000452368465 282025070 /nfs/dbraw/zinc/02/50/70/282025070.db2.gz COWQEMKUOAGXOK-ZIAGYGMSSA-N 2 0 299.459 1.116 10 0 CDAERP C[NH+](C)C1CCC(NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)CC1 ZINC000422606407 289064069 /nfs/dbraw/zinc/06/40/69/289064069.db2.gz IRIZDHMABJFCAC-SSDMNJCBSA-N 2 0 294.443 1.395 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000263207263 289067240 /nfs/dbraw/zinc/06/72/40/289067240.db2.gz JVWMSAKWPSSQIO-UKRRQHHQSA-N 2 0 267.417 1.447 10 0 CDAERP C[C@H](C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)C1C[NH2+]C1 ZINC000262308101 289251984 /nfs/dbraw/zinc/25/19/84/289251984.db2.gz CMXYVCGMHRZLBJ-GXTWGEPZSA-N 2 0 267.417 1.175 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000543714996 289610270 /nfs/dbraw/zinc/61/02/70/289610270.db2.gz RKQIIXITYZDPJR-CQSZACIVSA-N 2 0 292.427 1.754 10 0 CDAERP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)[C@H]1C[C@H]1C ZINC000414101853 289940404 /nfs/dbraw/zinc/94/04/04/289940404.db2.gz WXSQTGQKJMQVEP-ZLTXHLNPSA-N 2 0 266.429 1.998 10 0 CDAERP CC[C@H]([NH2+]C[C@@H]1CCCCN1CCO)C1CCOCC1 ZINC000560348551 293024459 /nfs/dbraw/zinc/02/44/59/293024459.db2.gz RVYFVHFODAZWEM-HOTGVXAUSA-N 2 0 284.444 1.628 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000422829872 293097914 /nfs/dbraw/zinc/09/79/14/293097914.db2.gz CECUDDVKQRDBRS-MELADBBJSA-N 3 0 257.422 1.203 10 0 CDAERP [NH3+]CCC1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000565150516 293531944 /nfs/dbraw/zinc/53/19/44/293531944.db2.gz LEWFWYBTUZAFLV-ILXRZTDVSA-N 2 0 279.428 1.495 10 0 CDAERP C[C@H]([NH3+])[C@H](C)C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000568631186 294072244 /nfs/dbraw/zinc/07/22/44/294072244.db2.gz WCSUKYUWWKUTKR-COPLHBTASA-N 2 0 261.369 1.054 10 0 CDAERP [NH3+]C1(CNC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CCCCC1 ZINC000569086391 294153118 /nfs/dbraw/zinc/15/31/18/294153118.db2.gz WWPZNJLFMPRFNV-BETUJISGSA-N 2 0 280.416 1.184 10 0 CDAERP C[C@H]1C[C@H](N(C)C(=O)CN2CC(C)(C)C2)CC[N@@H+]1C ZINC000570860188 294323880 /nfs/dbraw/zinc/32/38/80/294323880.db2.gz DTVZUXACCJSZQP-QWHCGFSZSA-N 2 0 267.417 1.269 10 0 CDAERP CC(C)[NH2+]CCC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000571685633 294486819 /nfs/dbraw/zinc/48/68/19/294486819.db2.gz WHSONXVRVCDTRN-HNNXBMFYSA-N 2 0 275.396 1.459 10 0 CDAERP CC(C)[C@@H]1CC[C@@H]([NH2+]CC(=O)N2CC[NH2+]CC2)C[C@H]1C ZINC000572111611 294558290 /nfs/dbraw/zinc/55/82/90/294558290.db2.gz MNZILTCMPCWMPJ-KFWWJZLASA-N 2 0 281.444 1.469 10 0 CDAERP NC(=O)C[C@@H]1CCCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420304466 295053658 /nfs/dbraw/zinc/05/36/58/295053658.db2.gz ONTYRYFZGPXLII-STQMWFEESA-N 2 0 253.390 1.106 10 0 CDAERP [NH3+][C@H](CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000574862085 295065088 /nfs/dbraw/zinc/06/50/88/295065088.db2.gz AWXNHEYRLSBYRA-HUUCEWRRSA-N 2 0 288.395 1.222 10 0 CDAERP C[C@H](C(=O)N1CCC[C@@H]1C[NH+](C)C)[NH+]1CCCCCC1 ZINC000362511904 298032367 /nfs/dbraw/zinc/03/23/67/298032367.db2.gz IIWBBXXXAVVBBT-HUUCEWRRSA-N 2 0 281.444 1.804 10 0 CDAERP C[C@H](C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000367788323 298078943 /nfs/dbraw/zinc/07/89/43/298078943.db2.gz AHCSUGOTICQGJD-SEBNEYGDSA-N 2 0 279.428 1.458 10 0 CDAERP C[C@H](CC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)C1CC[NH2+]CC1 ZINC000334751972 298290701 /nfs/dbraw/zinc/29/07/01/298290701.db2.gz PSRXRMDBBCJHGU-PBHICJAKSA-N 2 0 293.455 1.614 10 0 CDAERP [NH3+]C[C@@H](C(=O)N1CC[C@]2(CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000334568647 303391363 /nfs/dbraw/zinc/39/13/63/303391363.db2.gz HWMARIHAYZURHL-ZBFHGGJFSA-N 2 0 291.370 1.080 10 0 CDAERP [NH3+]C[C@H](NC(=O)C1(c2ccccc2)CC[NH2+]CC1)C1CC1 ZINC000131942265 303415850 /nfs/dbraw/zinc/41/58/50/303415850.db2.gz AJMLQOFGEVQIJT-HNNXBMFYSA-N 2 0 287.407 1.161 10 0 CDAERP C[N@H+](CC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CCF)C1CCC1 ZINC001669955044 1173638012 /nfs/dbraw/zinc/63/80/12/1173638012.db2.gz DZNXYJMIZOGXFH-UKRRQHHQSA-N 2 0 299.434 1.705 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]CC1CC1 ZINC001670118674 1173656205 /nfs/dbraw/zinc/65/62/05/1173656205.db2.gz VXXOHIJZUNURGC-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@H](C)[C@H](C)[NH3+])CC1 ZINC000563605687 316340943 /nfs/dbraw/zinc/34/09/43/316340943.db2.gz JDBVGSPMWALRFD-QWHCGFSZSA-N 2 0 284.448 1.484 10 0 CDAERP C[C@@H]([NH2+]C1CC1)C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000566621511 316643901 /nfs/dbraw/zinc/64/39/01/316643901.db2.gz AWBWVWATHUBFLP-IAQYHMDHSA-N 2 0 273.380 1.212 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000576695449 317187665 /nfs/dbraw/zinc/18/76/65/317187665.db2.gz SGTXUAFXBMYNEG-BARDWOONSA-N 2 0 279.428 1.637 10 0 CDAERP CC[C@@H]1C[N@H+](C)CCN1C(=O)CCN(C)c1cc[nH+]cc1 ZINC000579153439 324119889 /nfs/dbraw/zinc/11/98/89/324119889.db2.gz ZOQQOGFMYLOAEF-CQSZACIVSA-N 2 0 290.411 1.461 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCCC[C@@H]2[NH3+])[C@H]1n1cccn1 ZINC000579461597 324190156 /nfs/dbraw/zinc/19/01/56/324190156.db2.gz GYCIFBROUFCYTD-ZVDSWSACSA-N 2 0 292.427 1.851 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000579856540 324304337 /nfs/dbraw/zinc/30/43/37/324304337.db2.gz PKOJSCRADOYNLO-CHWSQXEVSA-N 2 0 255.406 1.175 10 0 CDAERP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2cnc(N)s2)cc1 ZINC000580311248 324428631 /nfs/dbraw/zinc/42/86/31/324428631.db2.gz CLPGQKJSTLSRHN-SECBINFHSA-N 2 0 262.382 1.865 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000583563242 325200105 /nfs/dbraw/zinc/20/01/05/325200105.db2.gz JGKLZNNOCUCHBB-RVMXOQNASA-N 2 0 270.421 1.236 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000584171435 327056775 /nfs/dbraw/zinc/05/67/75/327056775.db2.gz YNMRATVMDFHVEC-RBSFLKMASA-N 2 0 281.444 1.742 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001671369207 1159167224 /nfs/dbraw/zinc/16/72/24/1159167224.db2.gz TUZHMXZSMXIQBJ-HOTGVXAUSA-N 2 0 293.455 1.875 10 0 CDAERP CC[C@@H](F)C[NH2+]CC[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001699166869 1176120365 /nfs/dbraw/zinc/12/03/65/1176120365.db2.gz XEHJPOJPSPLKBY-QWHCGFSZSA-N 2 0 273.396 1.315 10 0 CDAERP CC[N@@H+]1CCC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001714367155 1159755994 /nfs/dbraw/zinc/75/59/94/1159755994.db2.gz YKDXQOZZELMHMI-UHFFFAOYSA-N 2 0 267.417 1.273 10 0 CDAERP CC[C@H](F)C[NH2+]CCN(CC)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001716253871 1159823236 /nfs/dbraw/zinc/82/32/36/1159823236.db2.gz LIFXEIXQSWZDOH-STQMWFEESA-N 2 0 273.396 1.124 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001481751576 1159931014 /nfs/dbraw/zinc/93/10/14/1159931014.db2.gz KZMNDGWVAGPCQQ-HUUCEWRRSA-N 2 0 281.444 1.661 10 0 CDAERP FC1(F)C[C@@H]1OCC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000662276015 482235005 /nfs/dbraw/zinc/23/50/05/482235005.db2.gz IHLDXZMBQDKMEQ-UPJWGTAASA-N 2 0 274.355 1.875 10 0 CDAERP C[C@@H]1CCCCN1C(=O)CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000225887820 482388904 /nfs/dbraw/zinc/38/89/04/482388904.db2.gz UMJLKFOHXIXBOM-OAGGEKHMSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CC(C2CC2)C1 ZINC000665762862 482450667 /nfs/dbraw/zinc/45/06/67/482450667.db2.gz SDMNFDBKVVLOSZ-ZDUSSCGKSA-N 2 0 296.459 1.310 10 0 CDAERP [NH3+]C[C@H](C(=O)NC[C@H]1CCCC[NH2+]1)c1ccc(F)cc1 ZINC000669509634 482515418 /nfs/dbraw/zinc/51/54/18/482515418.db2.gz KAKKPGMQOCPGSS-KGLIPLIRSA-N 2 0 279.359 1.126 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000654381078 482563607 /nfs/dbraw/zinc/56/36/07/482563607.db2.gz HKCUYOLZMADREO-KCQAQPDRSA-N 2 0 294.443 1.110 10 0 CDAERP C[N@H+](CCC(=O)N[C@H]1CCC[NH+](C)C1)C1CCCCC1 ZINC000684164614 482669707 /nfs/dbraw/zinc/66/97/07/482669707.db2.gz ZROIAIMNZDSZDP-AWEZNQCLSA-N 2 0 281.444 1.851 10 0 CDAERP Cc1ccccc1[C@@H]([NH3+])C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334621790 482749059 /nfs/dbraw/zinc/74/90/59/482749059.db2.gz IFAFILJOAHLMNF-WBVHZDCISA-N 2 0 287.407 1.597 10 0 CDAERP CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000669403206 482886584 /nfs/dbraw/zinc/88/65/84/482886584.db2.gz OPYGCGJBVYIHCT-CHWSQXEVSA-N 2 0 270.421 1.095 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261670575 482918756 /nfs/dbraw/zinc/91/87/56/482918756.db2.gz GCFMKGQBFLDZBF-LJISPDSOSA-N 2 0 281.444 1.883 10 0 CDAERP C[NH+](C)[C@H](CC(=O)N[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000667950220 482969564 /nfs/dbraw/zinc/96/95/64/482969564.db2.gz FEXOIYYUAYYLNB-HZPDHXFCSA-N 2 0 289.423 1.890 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000249932603 483011819 /nfs/dbraw/zinc/01/18/19/483011819.db2.gz DZUKQPHVTULUIX-BFHYXJOUSA-N 2 0 267.417 1.304 10 0 CDAERP [NH3+][C@@H](CNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1)C1CC1 ZINC000667148793 483110513 /nfs/dbraw/zinc/11/05/13/483110513.db2.gz YKEXNBRATBMUAT-ZDUSSCGKSA-N 2 0 286.339 1.126 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000682446999 483231154 /nfs/dbraw/zinc/23/11/54/483231154.db2.gz MPBHVGLAMRNADA-ZDUSSCGKSA-N 2 0 270.421 1.064 10 0 CDAERP Cc1cc(C)n2c(C[NH2+][C@@H]3CCC[C@H]([NH3+])C3)cnc2n1 ZINC000414907107 483293787 /nfs/dbraw/zinc/29/37/87/483293787.db2.gz AJUVHBDAGIMINA-QWHCGFSZSA-N 2 0 273.384 1.706 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000136428514 483403470 /nfs/dbraw/zinc/40/34/70/483403470.db2.gz OQDHDDZEIZILDM-NEPJUHHUSA-N 2 0 283.441 1.840 10 0 CDAERP C[NH+](C)CCN1CCC([NH2+][C@@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667777710 483420625 /nfs/dbraw/zinc/42/06/25/483420625.db2.gz GTMWVKBETAXPCP-JKSUJKDBSA-N 2 0 281.444 1.170 10 0 CDAERP C[NH+](C)[C@@H](CC(=O)N[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000667950218 483489412 /nfs/dbraw/zinc/48/94/12/483489412.db2.gz FEXOIYYUAYYLNB-CVEARBPZSA-N 2 0 289.423 1.890 10 0 CDAERP OC1CCC([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000668006332 483521478 /nfs/dbraw/zinc/52/14/78/483521478.db2.gz QHEXHXQAKHVQSD-UHFFFAOYSA-N 2 0 272.352 1.660 10 0 CDAERP CCCC[C@H](C[NH2+]CCC)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001700523097 1160686314 /nfs/dbraw/zinc/68/63/14/1160686314.db2.gz XTQGBUHGGYLMNR-ZIAGYGMSSA-N 2 0 269.433 1.613 10 0 CDAERP CCC(CC)C[NH2+]CCN(C)C(=O)C[NH+]1CCCC1 ZINC001691603008 1160714971 /nfs/dbraw/zinc/71/49/71/1160714971.db2.gz ODNQSCKOXWMXJA-UHFFFAOYSA-N 2 0 269.433 1.566 10 0 CDAERP CC(C)[NH+](CCNC(=O)[C@@H]1CCC[C@@H](C[NH3+])C1)C(C)C ZINC000055146201 519647284 /nfs/dbraw/zinc/64/72/84/519647284.db2.gz DDHVXNDRIOFOKU-HUUCEWRRSA-N 2 0 283.460 1.987 10 0 CDAERP CC(C)CC[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001409352703 1160818246 /nfs/dbraw/zinc/81/82/46/1160818246.db2.gz HKDREUKNLWXAME-ZIAGYGMSSA-N 2 0 283.460 2.000 10 0 CDAERP CC(C)CN(CC[NH+](C)C)Cc1ccnc(C(N)=[NH2+])c1 ZINC000068761683 519716833 /nfs/dbraw/zinc/71/68/33/519716833.db2.gz KACGJNGZJDUEHW-UHFFFAOYSA-N 2 0 277.416 1.385 10 0 CDAERP CC(C)[NH2+]Cc1cn(CC[N@@H+]2CCCC[C@@H]2C)nn1 ZINC000052378856 519728248 /nfs/dbraw/zinc/72/82/48/519728248.db2.gz YCPQFBNGRYZYSP-ZDUSSCGKSA-N 2 0 265.405 1.651 10 0 CDAERP CC[NH2+]CCC[C@@H](C)[N@H+](CCOC)[C@@H](C)COC ZINC000052572398 519920084 /nfs/dbraw/zinc/92/00/84/519920084.db2.gz REFJSHNSUWZFHM-KGLIPLIRSA-N 2 0 260.422 1.748 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@H](C[NH+]2CCC(OCC)CC2)O1 ZINC000052484080 519982032 /nfs/dbraw/zinc/98/20/32/519982032.db2.gz JJCRQXWTWMJFNM-HUUCEWRRSA-N 2 0 270.417 1.644 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000061272918 520065718 /nfs/dbraw/zinc/06/57/18/520065718.db2.gz IAGNEEZEPRGHIW-STQMWFEESA-N 2 0 255.406 1.365 10 0 CDAERP CC[NH2+][C@@H]1CCOC[C@@H]1N1CC[NH+](CC(C)C)CC1 ZINC000055079172 520120318 /nfs/dbraw/zinc/12/03/18/520120318.db2.gz FJEMTRXICXGEAB-CABCVRRESA-N 2 0 269.433 1.027 10 0 CDAERP CCO[C@@H](C[NH3+])CC[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000062740923 520306663 /nfs/dbraw/zinc/30/66/63/520306663.db2.gz DJBRLRCPVRZMCP-HUUCEWRRSA-N 2 0 263.385 1.972 10 0 CDAERP CCO[C@H](C[NH3+])CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062741297 520516609 /nfs/dbraw/zinc/51/66/09/520516609.db2.gz NMMBVCBWBWHHEV-INIZCTEOSA-N 3 0 283.460 1.548 10 0 CDAERP CCCCOCC[NH+]1CCN([C@@H](CC)CC[NH3+])CC1 ZINC000049261691 520761985 /nfs/dbraw/zinc/76/19/85/520761985.db2.gz JEHCNTMPNBMXSU-HNNXBMFYSA-N 2 0 271.449 1.548 10 0 CDAERP CCC[N@H+](C)CCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000052444519 521485478 /nfs/dbraw/zinc/48/54/78/521485478.db2.gz MYWZSABVBTXWBC-UHFFFAOYSA-N 2 0 253.394 1.508 10 0 CDAERP CC[NH+]1CCC(N(C)[C@@]2(C[NH3+])CCCSC2)CC1 ZINC000061590248 521567609 /nfs/dbraw/zinc/56/76/09/521567609.db2.gz LYKPEOJANHTCGD-CQSZACIVSA-N 2 0 271.474 1.627 10 0 CDAERP CC[N@H+](C)CCC(=O)NCCC[C@H]1CCC[NH+]1CC ZINC001714543489 1179198040 /nfs/dbraw/zinc/19/80/40/1179198040.db2.gz WGKFGWYCJXHWRP-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP CN(C[C@@H]1CC[N@@H+]1CCCCCF)C(=O)Cn1ccnc1 ZINC001691683393 1161561394 /nfs/dbraw/zinc/56/13/94/1161561394.db2.gz RPXWEGWWVQQIOE-AWEZNQCLSA-N 2 0 296.390 1.556 10 0 CDAERP C[NH2+]Cc1coc(CN2CCC[C@@H]2C[NH+](C)C)c1 ZINC000061654617 522148906 /nfs/dbraw/zinc/14/89/06/522148906.db2.gz LZHYAOBZXNMAEU-CYBMUJFWSA-N 2 0 251.374 1.525 10 0 CDAERP CC(C)=CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001717497869 1180712732 /nfs/dbraw/zinc/71/27/32/1180712732.db2.gz JLNXIYXOYCVLIV-KBPBESRZSA-N 2 0 267.417 1.341 10 0 CDAERP CCc1nc(N(C)[C@@H]2CCC[N@H+](C)C2)sc1C[NH2+]C ZINC000054998299 522380838 /nfs/dbraw/zinc/38/08/38/522380838.db2.gz YMHHDNXSEFIUBZ-LLVKDONJSA-N 2 0 282.457 1.955 10 0 CDAERP CC[N@H+](CCNC(=O)C1CC[NH+](CC(C)C)CC1)C1CC1 ZINC001433656239 1161934467 /nfs/dbraw/zinc/93/44/67/1161934467.db2.gz JTEPRNQNSMLESA-UHFFFAOYSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)(C)[NH+]1CCN(C(=O)C[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000055141106 518711679 /nfs/dbraw/zinc/71/16/79/518711679.db2.gz ZPAPXJAHVMMBAP-KBPBESRZSA-N 2 0 281.444 1.837 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cccc(CC[NH3+])c1 ZINC000053662613 519340064 /nfs/dbraw/zinc/34/00/64/519340064.db2.gz FAIARYZGDKSUDC-MRXNPFEDSA-N 2 0 291.439 1.894 10 0 CDAERP CC(C)NC(=O)CC[N@H+](C)CCC[NH+]1CCCC1 ZINC000337277182 519702107 /nfs/dbraw/zinc/70/21/07/519702107.db2.gz RJUXSOGRSYSOHC-UHFFFAOYSA-N 2 0 255.406 1.319 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)[C@H]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000055134734 519716370 /nfs/dbraw/zinc/71/63/70/519716370.db2.gz IRWVNYWOTOGFFY-KKUMJFAQSA-N 2 0 283.460 1.796 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)[C@H]1C[C@@H]([NH3+])CC[C@@H]1C ZINC000055134763 519716465 /nfs/dbraw/zinc/71/64/65/519716465.db2.gz ALDQSADAZVQCJC-KKUMJFAQSA-N 2 0 283.460 1.796 10 0 CDAERP CC(C)[NH2+]CCS(=O)(=O)NCC[NH+](C(C)C)C(C)C ZINC000049632407 519722286 /nfs/dbraw/zinc/72/22/86/519722286.db2.gz HKJCJWPOAQISSG-UHFFFAOYSA-N 2 0 293.477 1.023 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)[C@H]2CCC[C@H](CC[NH3+])C2)CC1 ZINC000055160915 519724854 /nfs/dbraw/zinc/72/48/54/519724854.db2.gz WKPGLFISMMSNPB-CVEARBPZSA-N 2 0 295.471 1.942 10 0 CDAERP CC(C)C[NH+]1CCN(CCC[C@](C)(CO)[NH2+]C(C)C)CC1 ZINC000070335024 519726208 /nfs/dbraw/zinc/72/62/08/519726208.db2.gz YMIQDGSXFHVYGA-QGZVFWFLSA-N 2 0 299.503 1.789 10 0 CDAERP CC(C)C[NH+]1CCN(c2ncc(C[NH3+])cc2Cl)CC1 ZINC000055082619 519729287 /nfs/dbraw/zinc/72/92/87/519729287.db2.gz KWWSNGQFXVNFIS-UHFFFAOYSA-N 2 0 282.819 1.972 10 0 CDAERP CC(C)C[NH2+]CCCC[NH+]1CCN(C2CC2)CC1 ZINC000052371241 519743355 /nfs/dbraw/zinc/74/33/55/519743355.db2.gz QQJVVZTVUXNAMC-UHFFFAOYSA-N 2 0 253.434 1.792 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CC[C@@H](C[NH+]2CCN(C3CC3)CC2)O1 ZINC000052371411 519746456 /nfs/dbraw/zinc/74/64/56/519746456.db2.gz ROJIRVDDHRMFJG-SJORKVTESA-N 2 0 295.471 1.560 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)CCCCCC[NH3+] ZINC000049221034 519793097 /nfs/dbraw/zinc/79/30/97/519793097.db2.gz PGYJIYREPXIBJC-CYBMUJFWSA-N 2 0 257.422 1.598 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000049220411 519814188 /nfs/dbraw/zinc/81/41/88/519814188.db2.gz VEDDBHQUGVWJMP-CVEARBPZSA-N 2 0 289.423 1.403 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000049220782 519814257 /nfs/dbraw/zinc/81/42/57/519814257.db2.gz PAMDNOJPOJGEOA-CABCVRRESA-N 2 0 277.412 1.779 10 0 CDAERP CCC[NH+]1CCC(C[NH3+])(N2CC[NH+]([C@@H](C)CC)CC2)CC1 ZINC000055064723 519842352 /nfs/dbraw/zinc/84/23/52/519842352.db2.gz XRWXFMMEPBCAPN-INIZCTEOSA-N 3 0 296.503 1.606 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC000338500997 519842932 /nfs/dbraw/zinc/84/29/32/519842932.db2.gz UJSWSQXEYZGQQQ-CQSZACIVSA-N 2 0 298.475 1.748 10 0 CDAERP CCCC1CC[NH+]([C@H](C)C(=O)N2CC[NH2+]CC2)CC1 ZINC000050893828 519903569 /nfs/dbraw/zinc/90/35/69/519903569.db2.gz SVUOPWULIZXZPP-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCn1ccnc1 ZINC000054627898 519911343 /nfs/dbraw/zinc/91/13/43/519911343.db2.gz GFPGMRCVBQGMKM-GOOCMWNKSA-N 2 0 262.401 1.878 10 0 CDAERP CC[NH2+]CCC[C@H](C)[N@H+](CCOC)[C@@H](C)COC ZINC000052572399 519920408 /nfs/dbraw/zinc/92/04/08/519920408.db2.gz REFJSHNSUWZFHM-KBPBESRZSA-N 2 0 260.422 1.748 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@@H](C[NH+]2CCC(COC)CC2)O1 ZINC000070082807 519938086 /nfs/dbraw/zinc/93/80/86/519938086.db2.gz MZCJOQXUMOYSDW-CVEARBPZSA-N 2 0 284.444 1.892 10 0 CDAERP CCC[NH2+]Cc1cn(CC[N@H+](C)[C@H](C)C(C)C)nn1 ZINC000052478528 519962846 /nfs/dbraw/zinc/96/28/46/519962846.db2.gz DVBHMINJISSOJC-CYBMUJFWSA-N 2 0 267.421 1.754 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000061266263 519963211 /nfs/dbraw/zinc/96/32/11/519963211.db2.gz NGGDCOBKLVMMQR-KBPBESRZSA-N 2 0 269.433 1.470 10 0 CDAERP CCC[NH2+][C@@](C)(C[C@H](C)N(C)[C@@H]1CCC[N@H+](C)C1)C(N)=O ZINC000068642408 520043328 /nfs/dbraw/zinc/04/33/28/520043328.db2.gz ISUHQZDUDAUTPZ-LZWOXQAQSA-N 2 0 298.475 1.035 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000061272913 520165619 /nfs/dbraw/zinc/16/56/19/520165619.db2.gz COVQOAOXQDUXPE-RLAWYHOSSA-N 2 0 267.417 1.364 10 0 CDAERP CCO[C@H](C[NH3+])CC[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000062740914 520516421 /nfs/dbraw/zinc/51/64/21/520516421.db2.gz BOLSHJRVKXVUHF-LSDHHAIUSA-N 2 0 263.385 1.972 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@@H]1C[C@H]([NH3+])CC[C@@H]1C ZINC000055123415 520618682 /nfs/dbraw/zinc/61/86/82/520618682.db2.gz NLRXDHIDAPYBAW-BFHYXJOUSA-N 2 0 269.433 1.598 10 0 CDAERP CC1CC[NH+](CCNC(=O)CC[C@H]2CCCC[NH2+]2)CC1 ZINC000050949830 521010967 /nfs/dbraw/zinc/01/09/67/521010967.db2.gz FSEQRUQXMJKDBL-OAHLLOKOSA-N 2 0 281.444 1.757 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000340377247 521481731 /nfs/dbraw/zinc/48/17/31/521481731.db2.gz IEFLPWSKOQNMJV-WBVHZDCISA-N 2 0 289.423 1.890 10 0 CDAERP CC[NH+]1CCN(C[C@@H]2CC[C@@H](C[NH2+]C(C)C)O2)CC1 ZINC000052422501 521686188 /nfs/dbraw/zinc/68/61/88/521686188.db2.gz ZUJPGLHOALYYDR-GJZGRUSLSA-N 2 0 269.433 1.170 10 0 CDAERP C[NH+](C)CCN1CCN(CCC[NH2+]C2CCCC2)CC1 ZINC000061655278 521763611 /nfs/dbraw/zinc/76/36/11/521763611.db2.gz YUYNSQGYJBLTHF-UHFFFAOYSA-N 2 0 282.476 1.088 10 0 CDAERP C[NH2+]CC1(C[N@@H+]2CCCC[C@H]2CCO)CCOCC1 ZINC000052181069 521968275 /nfs/dbraw/zinc/96/82/75/521968275.db2.gz CZBLUESMGNXKLZ-AWEZNQCLSA-N 2 0 270.417 1.240 10 0 CDAERP C[NH2+]CC1(C[N@H+]2C[C@H](C)C[C@H](C)C2)CCOCC1 ZINC000052180580 521971271 /nfs/dbraw/zinc/97/12/71/521971271.db2.gz UIXLYMUFQVAIFW-OKILXGFUSA-N 2 0 254.418 1.981 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(CCC[C@H]2CCC[NH2+]2)CC1 ZINC000055066934 522117485 /nfs/dbraw/zinc/11/74/85/522117485.db2.gz ASZKOSSKIGAKOJ-HUUCEWRRSA-N 2 0 253.434 1.935 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C2(C[NH3+])C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000055064802 522119536 /nfs/dbraw/zinc/11/95/36/522119536.db2.gz LCVMKAKTJVIPEY-VPSFDDGASA-N 3 0 294.487 1.357 10 0 CDAERP CC[C@@H](C)[NH+]1CCN([C@H](CC)C[NH2+]C2CC2)CC1 ZINC000055074631 522131703 /nfs/dbraw/zinc/13/17/03/522131703.db2.gz MZTSXTUDRVKTCE-UKRRQHHQSA-N 2 0 253.434 1.933 10 0 CDAERP C[NH2+][C@@H]1CCCCCC[C@@H]1N1CCN(CC[NH+](C)C)CC1 ZINC000061643844 522376776 /nfs/dbraw/zinc/37/67/76/522376776.db2.gz GUEAEHOVUSYHEY-SJORKVTESA-N 2 0 296.503 1.476 10 0 CDAERP CCc1nc(N2CC[NH+](C(C)C)CC2)sc1C[NH2+]C ZINC000054997438 522385820 /nfs/dbraw/zinc/38/58/20/522385820.db2.gz XTKLKUYCWXRHRM-UHFFFAOYSA-N 2 0 282.457 1.955 10 0 CDAERP C[NH2+][C@H](CN1CC[N@H+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC000069073715 522469301 /nfs/dbraw/zinc/46/93/01/522469301.db2.gz YOHRUWNZEIKINY-IAGOWNOFSA-N 2 0 273.424 1.973 10 0 CDAERP CN(CC[NH+]1CCCC1)[C@@]1(C[NH3+])CCc2ccccc2C1 ZINC000063051147 522832235 /nfs/dbraw/zinc/83/22/35/522832235.db2.gz OEAARSFRHIJBPJ-SFHVURJKSA-N 2 0 287.451 1.900 10 0 CDAERP CC[C@@H]1CCC(=O)[C@@H](C[NH+]2CCN(CC[NH+](C)C)CC2)C1 ZINC000061653425 523140459 /nfs/dbraw/zinc/14/04/59/523140459.db2.gz XUCUQNKCAXOFPK-HZPDHXFCSA-N 2 0 295.471 1.561 10 0 CDAERP COCC[NH+](CCCC[NH2+]CC(C)C)CCOC ZINC000052571334 523694000 /nfs/dbraw/zinc/69/40/00/523694000.db2.gz PIYUYIPAQKPBRY-UHFFFAOYSA-N 2 0 260.422 1.607 10 0 CDAERP C[NH+]1CCC(NC(=O)C[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000055126724 523771373 /nfs/dbraw/zinc/77/13/73/523771373.db2.gz HLNVOLBTDSNFIM-VXGBXAGGSA-N 2 0 253.390 1.104 10 0 CDAERP C[NH+]1CCC(NC(=O)C[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000055126723 523773638 /nfs/dbraw/zinc/77/36/38/523773638.db2.gz HLNVOLBTDSNFIM-RYUDHWBXSA-N 2 0 253.390 1.104 10 0 CDAERP CN(C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000366712140 523797854 /nfs/dbraw/zinc/79/78/54/523797854.db2.gz UYBCXIWUVLPMFK-ZSGMNJJHSA-N 2 0 291.439 1.649 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)CCCCC[NH3+])CC1 ZINC000055077905 523947793 /nfs/dbraw/zinc/94/77/93/523947793.db2.gz PCHLIYDJEMCPAD-ZDUSSCGKSA-N 2 0 255.406 1.448 10 0 CDAERP COCC[NH2+]Cc1cccc(OCC[NH+]2CCCC2)c1 ZINC000062731686 523954740 /nfs/dbraw/zinc/95/47/40/523954740.db2.gz ABPAOUWWQVMUEG-UHFFFAOYSA-N 2 0 278.396 1.897 10 0 CDAERP COCC[NH2+]Cc1ccccc1N1CCC[C@@H]1C[NH+](C)C ZINC000062738239 523955695 /nfs/dbraw/zinc/95/56/95/523955695.db2.gz UPEIRQJYXLHJKG-MRXNPFEDSA-N 2 0 291.439 1.953 10 0 CDAERP COc1ccc(C[NH3+])cc1CN1CCC[C@@H]1C[NH+](C)C ZINC000061643322 524016600 /nfs/dbraw/zinc/01/66/00/524016600.db2.gz DVIISRJCVWZNQE-OAHLLOKOSA-N 2 0 277.412 1.680 10 0 CDAERP C[NH+](C)CC1CCN(C(=O)CC[C@H]2CCCC[NH2+]2)CC1 ZINC000050947939 524048282 /nfs/dbraw/zinc/04/82/82/524048282.db2.gz HOZBBLDHYVIIIL-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)NCC(C)(C)[NH+](C)C ZINC000055141732 524145135 /nfs/dbraw/zinc/14/51/35/524145135.db2.gz KFUWHWOURRGMIM-QJPTWQEYSA-N 2 0 255.406 1.206 10 0 CDAERP C[C@@H]1CCC[C@@H](C(=O)NCC[NH+]2CCCCCC2)[C@@H]1[NH3+] ZINC000055136240 524267822 /nfs/dbraw/zinc/26/78/22/524267822.db2.gz OZCGLEYIDGRBLN-RBSFLKMASA-N 2 0 281.444 1.742 10 0 CDAERP Cc1ccc(C[NH2+]CCN2CC[C@H]([NH+](C)C)C2)s1 ZINC000062974131 524575012 /nfs/dbraw/zinc/57/50/12/524575012.db2.gz FQIXIACLIMMTHE-ZDUSSCGKSA-N 2 0 267.442 1.782 10 0 CDAERP C[C@@H](CNC(=O)c1ccc(C[NH+](C)C)nc1)[N@H+](C)C1CC1 ZINC000339269048 524717255 /nfs/dbraw/zinc/71/72/55/524717255.db2.gz DZRRZGBWNUOODT-LBPRGKRZSA-N 2 0 290.411 1.356 10 0 CDAERP C[C@@H](C[NH2+]C(C)(C)C)N1CC[NH+](CC2CC2)CC1 ZINC000052372403 524732406 /nfs/dbraw/zinc/73/24/06/524732406.db2.gz DQOMPCSIZMITBV-ZDUSSCGKSA-N 2 0 253.434 1.791 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCC[C@@H]1C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000055131550 525087802 /nfs/dbraw/zinc/08/78/02/525087802.db2.gz QAMFDPUTHJOEOZ-MQYQWHSLSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@]([NH3+])(CN1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000052883491 525150557 /nfs/dbraw/zinc/15/05/57/525150557.db2.gz BLPBXXAEWHJQFN-KRWDZBQOSA-N 2 0 273.424 1.888 10 0 CDAERP C[C@H]([NH2+]CCCC[NH+](C)C)C(C)(C)n1cncn1 ZINC000340459161 525333820 /nfs/dbraw/zinc/33/38/20/525333820.db2.gz CBNUCWLHHKLMLY-LBPRGKRZSA-N 2 0 253.394 1.333 10 0 CDAERP C[NH2+]C[C@@H]1CCCN1C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000418474881 536456213 /nfs/dbraw/zinc/45/62/13/536456213.db2.gz YSGXHMNIFVXOPW-WFASDCNBSA-N 2 0 290.411 1.600 10 0 CDAERP C[NH2+]C[C@H]1CCCN(C(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000418285058 536465032 /nfs/dbraw/zinc/46/50/32/536465032.db2.gz NZZZVYDUMJLZJY-CQSZACIVSA-N 2 0 296.459 1.679 10 0 CDAERP Cc1oc(CN2CCC[N@@H+](C)CC2)cc1C[NH2+]C1CC1 ZINC000052424187 526770833 /nfs/dbraw/zinc/77/08/33/526770833.db2.gz AGTBRZMACUWIPQ-UHFFFAOYSA-N 2 0 277.412 1.978 10 0 CDAERP O=C(C[C@@H]1CCC[NH2+]C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000054308247 527120251 /nfs/dbraw/zinc/12/02/51/527120251.db2.gz AKQNJCXNSAZNIZ-INIZCTEOSA-N 2 0 293.455 1.711 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccc2c(c1)OCCO2 ZINC000054627510 527147097 /nfs/dbraw/zinc/14/70/97/527147097.db2.gz HSFQMSBSLDFVSG-GOOCMWNKSA-N 2 0 288.391 1.954 10 0 CDAERP [NH3+][C@H](CC[N@@H+]1CC[C@H](O)C1)c1cccc(Cl)c1 ZINC000061712108 527385822 /nfs/dbraw/zinc/38/58/22/527385822.db2.gz FJYCSSVDLQCCOZ-QWHCGFSZSA-N 2 0 254.761 1.797 10 0 CDAERP O[C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCN2CCCC[C@H]12 ZINC000049564800 527667487 /nfs/dbraw/zinc/66/74/87/527667487.db2.gz XNRPNOJTENUZCG-LXTVHRRPSA-N 2 0 252.402 1.896 10 0 CDAERP CCC[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000105845873 534928372 /nfs/dbraw/zinc/92/83/72/534928372.db2.gz SNPQWWYDAMZJOA-OAHLLOKOSA-N 2 0 269.433 1.123 10 0 CDAERP CC1(C)CN(C(=O)[C@@H]([NH3+])c2ccccc2)CC[C@@H]1[NH3+] ZINC000261668641 535341943 /nfs/dbraw/zinc/34/19/43/535341943.db2.gz ACCIIMJUPVMLFQ-STQMWFEESA-N 2 0 261.369 1.272 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000417752049 535448115 /nfs/dbraw/zinc/44/81/15/535448115.db2.gz QGKNJGDKPNGHDX-LBPRGKRZSA-N 2 0 270.421 1.002 10 0 CDAERP CC[C@H](Cn1cncn1)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000414185934 536136913 /nfs/dbraw/zinc/13/69/13/536136913.db2.gz OUGHRZIIIUKJHI-ZIAGYGMSSA-N 2 0 265.405 1.378 10 0 CDAERP C[NH+]1CCC(NC(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000416827142 536342010 /nfs/dbraw/zinc/34/20/10/536342010.db2.gz KSPIGLCPEXDHDR-CQSZACIVSA-N 2 0 276.384 1.080 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCc1ccc(O)cc1 ZINC000234786169 536850499 /nfs/dbraw/zinc/85/04/99/536850499.db2.gz FQSRIJGVYLGAHW-ZDUSSCGKSA-N 2 0 252.358 1.278 10 0 CDAERP S=C1OCCN1CN1CCC[C@@H](n2ccnc2)C1 ZINC000738157812 574821905 /nfs/dbraw/zinc/82/19/05/574821905.db2.gz JIPMRRCXJRIZCN-LLVKDONJSA-N 2 0 266.370 1.095 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=S)NCC[NH+](C)C ZINC000730731582 575003106 /nfs/dbraw/zinc/00/31/06/575003106.db2.gz GVTYCQQXVWZHKK-CHWSQXEVSA-N 2 0 286.489 1.275 10 0 CDAERP C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1ccc2c(c1)ncn2C ZINC000774816556 575244342 /nfs/dbraw/zinc/24/43/42/575244342.db2.gz QWAZFFARKWCEAO-BXUZGUMPSA-N 2 0 258.369 1.613 10 0 CDAERP C[C@@H]1C[N@H+](C)C[C@H]1NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000756117568 576978062 /nfs/dbraw/zinc/97/80/62/576978062.db2.gz CLAOHRIXHAMWPG-FVQBIDKESA-N 2 0 281.444 1.170 10 0 CDAERP C[C@@H](CN[C@@H]1CC[NH2+]C12CCCC2)C[NH+]1CCOCC1 ZINC000925510624 617411953 /nfs/dbraw/zinc/41/19/53/617411953.db2.gz YFXUTUHYEBQIBC-LSDHHAIUSA-N 2 0 281.444 1.219 10 0 CDAERP CN1C[C@@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)CCC1=O ZINC000925510657 617412432 /nfs/dbraw/zinc/41/24/32/617412432.db2.gz ZMPPCVRQJLLGQB-GJZGRUSLSA-N 2 0 275.396 1.677 10 0 CDAERP C[N@@H+]1C[C@@H]2CN(Cc3ccc4c[nH]nc4c3)C[C@]2(C)C1 ZINC000933732907 617598535 /nfs/dbraw/zinc/59/85/35/617598535.db2.gz DKSAZTYPHMTBSW-ZBFHGGJFSA-N 2 0 270.380 1.946 10 0 CDAERP CC1(C)[NH2+]CC[C@H]1NC1CC([NH+]2CCCCC2)C1 ZINC000925663780 617611941 /nfs/dbraw/zinc/61/19/41/617611941.db2.gz WBWIRMXVTUMDOG-JXQTWKCFSA-N 2 0 251.418 1.733 10 0 CDAERP COCC1(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)CCOCC1 ZINC000925672336 617632385 /nfs/dbraw/zinc/63/23/85/617632385.db2.gz HOFCGJOALUGBSV-CQSZACIVSA-N 2 0 282.428 1.694 10 0 CDAERP COC(=O)c1cc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)n(C)c1C ZINC000925770618 617633323 /nfs/dbraw/zinc/63/33/23/617633323.db2.gz XAIOXKSBYNKSRD-NWDGAFQWSA-N 2 0 279.384 1.480 10 0 CDAERP CC1(C)[C@@H](NC[C@@H]2CCCC[N@@H+]2CCO)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925679956 617652588 /nfs/dbraw/zinc/65/25/88/617652588.db2.gz LYOYZSYCVGEBDG-FZKCQIBNSA-N 2 0 295.471 1.199 10 0 CDAERP C(C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)CN1CC[NH2+]CC1 ZINC000925688774 617683988 /nfs/dbraw/zinc/68/39/88/617683988.db2.gz FLUUTQHQRFZTAN-IRXDYDNUSA-N 3 0 294.487 1.040 10 0 CDAERP FC1(F)CC[NH2+]C[C@@H]1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000925784306 617704546 /nfs/dbraw/zinc/70/45/46/617704546.db2.gz QOTYOXPWLSZELC-FRRDWIJNSA-N 2 0 273.371 1.448 10 0 CDAERP CCOCCC[N@@H+]1CC[C@@H](NC[C@@H]2C[NH2+]C[C@H]2C)[C@@H](C)C1 ZINC000925792749 617718833 /nfs/dbraw/zinc/71/88/33/617718833.db2.gz WDDGECXOXKXFDM-LTIDMASMSA-N 2 0 297.487 1.569 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@@]12C[C@@H]1CCCC2 ZINC000925803436 617739417 /nfs/dbraw/zinc/73/94/17/617739417.db2.gz ZJJWYQUHEZFBNJ-YYFQZIEXSA-N 2 0 252.402 1.909 10 0 CDAERP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925810285 617751854 /nfs/dbraw/zinc/75/18/54/617751854.db2.gz YLOOAPLQPSBBDD-USXIJHARSA-N 3 0 297.487 1.888 10 0 CDAERP [NH3+][C@@H]1C[C@@H](NC[C@H](n2cccn2)C(F)(F)F)C12CCC2 ZINC000925723653 617885935 /nfs/dbraw/zinc/88/59/35/617885935.db2.gz SRSBAAOTPBRIMY-MXWKQRLJSA-N 2 0 288.317 1.846 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cccc(S(N)(=O)=O)c1 ZINC000925882645 617967265 /nfs/dbraw/zinc/96/72/65/617967265.db2.gz OPCREYSUEPVVOI-LOWVWBTDSA-N 2 0 297.424 1.112 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000925892604 617987435 /nfs/dbraw/zinc/98/74/35/617987435.db2.gz CCTCDCIWKFLSJS-STQMWFEESA-N 2 0 256.390 1.432 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC[C@@H]1CCOC1=O ZINC000925732529 618046161 /nfs/dbraw/zinc/04/61/61/618046161.db2.gz YMMBSVDKDNJREN-BFKVFCTQSA-N 2 0 266.385 1.435 10 0 CDAERP O[C@H](COc1ccccc1)CN1CC[NH2+]CCC12CCC2 ZINC000923427628 618335813 /nfs/dbraw/zinc/33/58/13/618335813.db2.gz UDKWPFIGELWQRV-HNNXBMFYSA-N 2 0 290.407 1.644 10 0 CDAERP C[C@@H](C[NH2+][C@@H](C)c1ccns1)CN1CC[NH+](C)CC1 ZINC000924947576 618367876 /nfs/dbraw/zinc/36/78/76/618367876.db2.gz DEINPLVSWADFQI-STQMWFEESA-N 2 0 282.457 1.677 10 0 CDAERP CC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)OCCCO1 ZINC000817926567 618491565 /nfs/dbraw/zinc/49/15/65/618491565.db2.gz NGYUHKPRQWHYHB-HZSPNIEDSA-N 2 0 268.401 1.650 10 0 CDAERP CC(C)[C@@H]1COCC[C@H]1[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000925022297 618794320 /nfs/dbraw/zinc/79/43/20/618794320.db2.gz FXWNTMUHDCHWJG-YESZJQIVSA-N 2 0 298.471 1.874 10 0 CDAERP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000928434461 619076136 /nfs/dbraw/zinc/07/61/36/619076136.db2.gz DTVPPJBTQQSURQ-GRYCIOLGSA-N 2 0 255.406 1.362 10 0 CDAERP CC[C@H](C[C@@](C)(O)CC)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000925111339 619321534 /nfs/dbraw/zinc/32/15/34/619321534.db2.gz CCPPBIYMBBCYBN-KGLIPLIRSA-N 2 0 272.433 1.362 10 0 CDAERP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]C2C[C@H]3CCC[C@@H]3C2)C1 ZINC000902793800 625410529 /nfs/dbraw/zinc/41/05/29/625410529.db2.gz MFZIJXMYQPFRFU-RBSFLKMASA-N 2 0 293.455 1.742 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000925318318 621058534 /nfs/dbraw/zinc/05/85/34/621058534.db2.gz GLZSFRAHHPERJX-KGLIPLIRSA-N 2 0 284.448 1.308 10 0 CDAERP Cc1cc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)nn1C ZINC000926916420 621598320 /nfs/dbraw/zinc/59/83/20/621598320.db2.gz XALVFMLDHACLGL-DGCLKSJQSA-N 2 0 250.390 1.343 10 0 CDAERP C[C@H]1COC[C@H](C)C1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000924632321 621612080 /nfs/dbraw/zinc/61/20/80/621612080.db2.gz MHTKTYWQYVKUBO-KBPBESRZSA-N 2 0 283.460 1.273 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH+](C)C)C12CCC2)[NH+](C)C ZINC000898836700 621887695 /nfs/dbraw/zinc/88/76/95/621887695.db2.gz ZHNBHLKOSFAHCV-MJBXVCDLSA-N 2 0 281.444 1.562 10 0 CDAERP C[NH+](C)[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C12CCC2 ZINC000898840408 621895408 /nfs/dbraw/zinc/89/54/08/621895408.db2.gz RFBSCJMMBILNDI-IHRRRGAJSA-N 2 0 279.428 1.460 10 0 CDAERP CC1CCN(C(=[NH2+])NC[C@@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000899262888 622134568 /nfs/dbraw/zinc/13/45/68/622134568.db2.gz UIUNKFOTSGWJAM-HNNXBMFYSA-N 2 0 294.443 1.496 10 0 CDAERP C[C@H](NC(=[NH2+])NCC1CC[NH+](C2CC2)CC1)C1CC1 ZINC000899271414 622136788 /nfs/dbraw/zinc/13/67/88/622136788.db2.gz DGOIHJSOHPOSFI-NSHDSACASA-N 2 0 264.417 1.773 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=[NH2+])N[C@@H](C)C1CC1 ZINC000899279060 622144081 /nfs/dbraw/zinc/14/40/81/622144081.db2.gz ZXPRVSNFRZKHQS-LBPRGKRZSA-N 2 0 254.422 1.877 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000900694564 623352298 /nfs/dbraw/zinc/35/22/98/623352298.db2.gz IVVNUTSHUKXKFY-SOUVJXGZSA-N 2 0 281.444 1.850 10 0 CDAERP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000903223334 625920219 /nfs/dbraw/zinc/92/02/19/625920219.db2.gz BIJKABRXRSUXJT-JOABBYSTSA-N 2 0 292.423 1.538 10 0 CDAERP C[NH+](C)CC[C@H](NC1CC[NH+](C)CC1)c1cccnc1 ZINC000903384700 625981965 /nfs/dbraw/zinc/98/19/65/625981965.db2.gz STMOJURYFRUVBQ-INIZCTEOSA-N 2 0 276.428 1.758 10 0 CDAERP CNC(=O)c1ccc(C[N@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000903429554 625989626 /nfs/dbraw/zinc/98/96/26/625989626.db2.gz GPGDASAILCNGBR-DOMZBBRYSA-N 2 0 275.396 1.334 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@H](N3CCCC3=O)C2)C1 ZINC000903434911 625991049 /nfs/dbraw/zinc/99/10/49/625991049.db2.gz MRPPSZBVBBKASZ-MJBXVCDLSA-N 2 0 265.401 1.201 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000903437816 625991895 /nfs/dbraw/zinc/99/18/95/625991895.db2.gz MQMMKEADVYRADA-KFWWJZLASA-N 2 0 279.428 1.176 10 0 CDAERP CC(C)OCCN1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903443466 625997511 /nfs/dbraw/zinc/99/75/11/625997511.db2.gz DAPONGUSGQZGAM-CABCVRRESA-N 2 0 269.433 1.156 10 0 CDAERP C(C[C@@H]1CCC[NH2+]C1)[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903485016 626007519 /nfs/dbraw/zinc/00/75/19/626007519.db2.gz YJBSSNKIQOBKGZ-KBPBESRZSA-N 3 0 251.418 1.640 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@@H](C)c1ccccc1)C2 ZINC000903492369 626011185 /nfs/dbraw/zinc/01/11/85/626011185.db2.gz OGACLETVDNDXEN-FAYQHZLMSA-N 2 0 288.391 1.960 10 0 CDAERP C(C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)OC1CCSCC1 ZINC000903746821 626071207 /nfs/dbraw/zinc/07/12/07/626071207.db2.gz LOZDXEZWHRZCJU-OAHLLOKOSA-N 2 0 284.469 1.974 10 0 CDAERP C([C@H]1CCCC[NH2+]C1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000903740525 626078940 /nfs/dbraw/zinc/07/89/40/626078940.db2.gz INUJYLZEFRQVMF-JYJNAYRXSA-N 3 0 265.445 1.840 10 0 CDAERP C(CN1CC[NH2+]CCC12CCOCC2)OC[C@H]1CCCO1 ZINC000903817709 626095838 /nfs/dbraw/zinc/09/58/38/626095838.db2.gz FFWUNXDRACRAKA-OAHLLOKOSA-N 2 0 298.427 1.027 10 0 CDAERP C(C[NH2+]C1CC1)CN1CCOC[C@H]1C[C@H]1CCOC1 ZINC000903824610 626104224 /nfs/dbraw/zinc/10/42/24/626104224.db2.gz RTZQVOQIBSSQOS-UKRRQHHQSA-N 2 0 268.401 1.256 10 0 CDAERP C([C@H]1CNCCO1)[N@@H+]1CCCSC[C@@H]1C1CC1 ZINC000903826930 626105280 /nfs/dbraw/zinc/10/52/80/626105280.db2.gz OETGRVDGYOVCDY-CHWSQXEVSA-N 2 0 256.415 1.192 10 0 CDAERP C[N@@H+](Cc1nnc2ccccn21)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903888565 626123842 /nfs/dbraw/zinc/12/38/42/626123842.db2.gz GECXPFCETJEVTC-AGUYFDCRSA-N 2 0 285.395 1.692 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[NH+]2CCCCCC2)cnn1C ZINC000903872516 626126565 /nfs/dbraw/zinc/12/65/65/626126565.db2.gz FZJZGOPPOXWAII-CQSZACIVSA-N 2 0 264.417 1.722 10 0 CDAERP CCO[C@@H]1CCC[N@H+](C[C@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903873898 626127994 /nfs/dbraw/zinc/12/79/94/626127994.db2.gz NTVTZPTVBBILJH-GOEBONIOSA-N 2 0 294.443 1.347 10 0 CDAERP CC[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)CC1CC1 ZINC000903893485 626135303 /nfs/dbraw/zinc/13/53/03/626135303.db2.gz WOWHNWZOFMROGQ-ZDUSSCGKSA-N 2 0 263.389 1.435 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[NH+]2C[C@@H](C)[C@H](C)C2)cnn1C ZINC000903896598 626136274 /nfs/dbraw/zinc/13/62/74/626136274.db2.gz VSSFVGGWCSAETK-YRGRVCCFSA-N 2 0 264.417 1.434 10 0 CDAERP CN(CCOCC1CC1)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903897945 626137011 /nfs/dbraw/zinc/13/70/11/626137011.db2.gz KSEDYEIHCUGBAB-AWEZNQCLSA-N 2 0 293.415 1.061 10 0 CDAERP C[N@H+](C[C@H]1CCC[C@H]1O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903898088 626137017 /nfs/dbraw/zinc/13/70/17/626137017.db2.gz ITFQHFIVGNWSSS-HKJOBYGYSA-N 2 0 252.402 1.610 10 0 CDAERP COC(=O)[C@@H](C)C[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000903902517 626139528 /nfs/dbraw/zinc/13/95/28/626139528.db2.gz IMARQMHKDDYFFM-FUDCBSFHSA-N 2 0 280.412 1.791 10 0 CDAERP COC(=O)[C@@H]1CCCCC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903902493 626139672 /nfs/dbraw/zinc/13/96/72/626139672.db2.gz HSQHZYHSTSHTEQ-DKUMPPAJSA-N 2 0 280.412 1.935 10 0 CDAERP COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903913852 626145846 /nfs/dbraw/zinc/14/58/46/626145846.db2.gz DYTSIBSIYJXQJW-CHZLEKFTSA-N 2 0 296.411 1.169 10 0 CDAERP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCOCC2(CC2)C1 ZINC000903914180 626146044 /nfs/dbraw/zinc/14/60/44/626146044.db2.gz HDOZXSAGVXJMMF-AGUYFDCRSA-N 2 0 250.386 1.629 10 0 CDAERP Cc1ccc(C[NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)s1 ZINC000903922822 626147554 /nfs/dbraw/zinc/14/75/54/626147554.db2.gz FONLGTFZQSKWKJ-LBPRGKRZSA-N 2 0 291.424 1.862 10 0 CDAERP C[NH2+]Cc1ccccc1CNC[C@H]([NH3+])CC(F)F ZINC000903931983 626151621 /nfs/dbraw/zinc/15/16/21/626151621.db2.gz KQPGVVCBNIKXKJ-GFCCVEGCSA-N 2 0 257.328 1.478 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@H+](C)C[C@H]2CC2(C)C)cnn1C ZINC000903933015 626152697 /nfs/dbraw/zinc/15/26/97/626152697.db2.gz JSLRRGMXMBWGCY-UKRRQHHQSA-N 2 0 278.444 1.824 10 0 CDAERP c1nnn([C@H]2CCC[NH2+]C2)c1C[NH2+][C@@H]1CCCC12CC2 ZINC000903935423 626153927 /nfs/dbraw/zinc/15/39/27/626153927.db2.gz PIZQCDMVAJKYDL-GXTWGEPZSA-N 2 0 275.400 1.625 10 0 CDAERP FC1(F)CC[NH2+]C[C@@H]1CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000903957704 626158439 /nfs/dbraw/zinc/15/84/39/626158439.db2.gz SQKXZQPARQLKBU-ZOBORPQBSA-N 2 0 287.398 1.742 10 0 CDAERP C[C@@H]1C[C@@H](CN2CCc3sc(C[NH3+])nc3C2)CC[NH2+]1 ZINC000903944124 626161926 /nfs/dbraw/zinc/16/19/26/626161926.db2.gz GMBWIARSFVXXIL-MNOVXSKESA-N 2 0 280.441 1.348 10 0 CDAERP COc1cc2c(cc1C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1)OCO2 ZINC000903977544 626169913 /nfs/dbraw/zinc/16/99/13/626169913.db2.gz SQJNJRJYOQQETQ-VXGBXAGGSA-N 2 0 292.379 1.841 10 0 CDAERP [NH2+]=C(NCCC[NH+]1CCCCC1)NC[C@H]1CCCS1 ZINC000905041385 626380955 /nfs/dbraw/zinc/38/09/55/626380955.db2.gz IDMHTMKBKZDIDN-CYBMUJFWSA-N 2 0 284.473 1.872 10 0 CDAERP CC[NH+]1CCC(CNC(=[NH2+])NC[C@@H]2CCCS2)CC1 ZINC000905041978 626381312 /nfs/dbraw/zinc/38/13/12/626381312.db2.gz MJROEVRUWZDMQE-ZDUSSCGKSA-N 2 0 284.473 1.728 10 0 CDAERP C[N@@H+]1CCC[C@@H](CNC(=[NH2+])NC[C@H]2CCCS2)C1 ZINC000905043489 626382559 /nfs/dbraw/zinc/38/25/59/626382559.db2.gz VPJVTLHSSATPCB-NWDGAFQWSA-N 2 0 270.446 1.338 10 0 CDAERP C[C@H]1C[C@@H](c2nc(CC3CC[NH2+]CC3)no2)CC[N@@H+]1C ZINC000905309810 626758860 /nfs/dbraw/zinc/75/88/60/626758860.db2.gz NVZZHULJCCRTQV-AAEUAGOBSA-N 2 0 278.400 1.809 10 0 CDAERP C(c1noc([C@@H]2C[C@]23CCC[NH2+]C3)n1)C1CC[NH2+]CC1 ZINC000905309501 626758990 /nfs/dbraw/zinc/75/89/90/626758990.db2.gz WYOCBJKJPLSZKA-WFASDCNBSA-N 2 0 276.384 1.469 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)CCC2(O)CCC2)C[C@@H]1C ZINC000905934777 627049734 /nfs/dbraw/zinc/04/97/34/627049734.db2.gz RIBYKAIPSITIAK-JYJNAYRXSA-N 2 0 298.471 1.847 10 0 CDAERP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)C3(O)CCCC3)CC[C@H]21 ZINC000905941010 627054026 /nfs/dbraw/zinc/05/40/26/627054026.db2.gz SNNZCFTZOAWIDO-KFWWJZLASA-N 2 0 282.428 1.069 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000906651981 627357848 /nfs/dbraw/zinc/35/78/48/627357848.db2.gz FBNQYUCODDBUHI-GDBMZVCRSA-N 2 0 293.455 1.804 10 0 CDAERP C[N@H+](CC(=O)N[C@]1(C)C[NH+]2CCC1CC2)C1CCC1 ZINC000912375218 629972040 /nfs/dbraw/zinc/97/20/40/629972040.db2.gz ULGHMGHMKLOSRZ-OAHLLOKOSA-N 2 0 265.401 1.071 10 0 CDAERP C[NH+](C)C1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000913392367 630468721 /nfs/dbraw/zinc/46/87/21/630468721.db2.gz BHWJJUQXFLTTJV-AWEZNQCLSA-N 2 0 279.428 1.556 10 0 CDAERP C[C@@H]1[C@H](NC(=O)N[C@H]2CC[NH+]3CCC[C@H]3C2)CC[N@@H+]1C ZINC000914151315 631070108 /nfs/dbraw/zinc/07/01/08/631070108.db2.gz ZWKNUPNAFZVSKV-ZOBORPQBSA-N 2 0 280.416 1.005 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000914412136 631413768 /nfs/dbraw/zinc/41/37/68/631413768.db2.gz RUKKAVSJGFWLJS-YNEHKIRRSA-N 2 0 270.421 1.109 10 0 CDAERP C[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1C)[NH+]1CCC(C)CC1 ZINC000915073409 631641957 /nfs/dbraw/zinc/64/19/57/631641957.db2.gz RIPYCJBXBRUSQD-ILXRZTDVSA-N 2 0 296.459 1.499 10 0 CDAERP Cc1cnc(Cl)c(C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)c1 ZINC000921690969 633187180 /nfs/dbraw/zinc/18/71/80/633187180.db2.gz YUFBWZFMWFNRML-ZDUSSCGKSA-N 2 0 296.846 1.769 10 0 CDAERP CCC[NH2+]C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001699588713 1158458458 /nfs/dbraw/zinc/45/84/58/1158458458.db2.gz DYDSVGRJGPQNQH-TZMCWYRMSA-N 2 0 267.417 1.223 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001671298347 1158619498 /nfs/dbraw/zinc/61/94/98/1158619498.db2.gz QLUXPRLKMQNMJN-HOTGVXAUSA-N 2 0 293.455 1.709 10 0 CDAERP CCCCOCCN1CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001670672940 1158685291 /nfs/dbraw/zinc/68/52/91/1158685291.db2.gz SILGPLPGGKSUKG-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001670545341 1158635165 /nfs/dbraw/zinc/63/51/65/1158635165.db2.gz UUXLMUJWPXJXKB-HOCLYGCPSA-N 2 0 293.455 1.779 10 0 CDAERP CO[C@H](C[N@H+](C)C1(C[NH3+])CCOCC1)C1CCC1 ZINC000692287781 1158706924 /nfs/dbraw/zinc/70/69/24/1158706924.db2.gz HHQFYAGHYMYADC-CYBMUJFWSA-N 2 0 256.390 1.241 10 0 CDAERP COCCC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001266703964 1158771944 /nfs/dbraw/zinc/77/19/44/1158771944.db2.gz UOAIQVMSRWPYPY-OKILXGFUSA-N 2 0 297.443 1.134 10 0 CDAERP CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCCC[NH+]1CCCC1 ZINC001691075994 1158893193 /nfs/dbraw/zinc/89/31/93/1158893193.db2.gz XOVMGVPNZSITAJ-OAHLLOKOSA-N 2 0 281.444 1.805 10 0 CDAERP C[C@@H](F)CC[NH2+]CCN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001691348248 1159029966 /nfs/dbraw/zinc/02/99/66/1159029966.db2.gz TXVGKJXEVNNTHJ-GFCCVEGCSA-N 2 0 273.396 1.267 10 0 CDAERP CC(C)COCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001268740455 1160011881 /nfs/dbraw/zinc/01/18/81/1160011881.db2.gz KLZMIUFPSDEOTG-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)CC[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001482205737 1160031881 /nfs/dbraw/zinc/03/18/81/1160031881.db2.gz AHNAJMGZBPJYGK-HNNXBMFYSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]CCC1CC1 ZINC001270593762 1160114432 /nfs/dbraw/zinc/11/44/32/1160114432.db2.gz BFGCXBZJRIBGKZ-CYBMUJFWSA-N 2 0 267.417 1.224 10 0 CDAERP COCCC[NH2+]C1(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001670903902 1161346865 /nfs/dbraw/zinc/34/68/65/1161346865.db2.gz UPIVSVPBKASOIJ-OKILXGFUSA-N 2 0 297.443 1.134 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCC2=CC[NH+](C)CC2)CC[N@@H+]1C ZINC000336014555 1161589715 /nfs/dbraw/zinc/58/97/15/1161589715.db2.gz PEQFHPSYLCJVBS-JSGCOSHPSA-N 2 0 265.401 1.095 10 0 CDAERP COCCC[NH+]1CCC(NC(=O)[C@@H](C)CC[NH+](C)C)CC1 ZINC001626779403 1165959407 /nfs/dbraw/zinc/95/94/07/1165959407.db2.gz MVEISURPZRPKGE-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP O=C1N[C@@H]2C[N@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[C@H]2CO1 ZINC001646280695 1167742931 /nfs/dbraw/zinc/74/29/31/1167742931.db2.gz URXOFMNUGVIYJQ-SCXOTVEISA-N 2 0 293.411 1.337 10 0 CDAERP CCCN(CC[NH+]1CCCC1)C(=O)[C@@H](C)CC[NH+](C)C ZINC001467903422 1167752954 /nfs/dbraw/zinc/75/29/54/1167752954.db2.gz NNKVWNKXLDYRTB-HNNXBMFYSA-N 2 0 283.460 1.909 10 0 CDAERP CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001566940728 1168475809 /nfs/dbraw/zinc/47/58/09/1168475809.db2.gz PNFLJYLNAYSILO-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)C[NH2+]CCF ZINC001568171467 1169160250 /nfs/dbraw/zinc/16/02/50/1169160250.db2.gz AXJZOHZZALIGBL-ZDUSSCGKSA-N 2 0 287.423 1.562 10 0 CDAERP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N3C[C@H](C)[NH+](C)C[C@H]3C)C[N@@H+]2C1 ZINC001649309107 1169185330 /nfs/dbraw/zinc/18/53/30/1169185330.db2.gz OCWTVCPPJZISMN-LEOABGAYSA-N 2 0 293.455 1.658 10 0 CDAERP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N[C@@H]3CC[NH+](C)[C@H]3C)C[N@@H+]2C1 ZINC001649350005 1169227379 /nfs/dbraw/zinc/22/73/79/1169227379.db2.gz XMVLNGJFBIGNGJ-CAEXGNQWSA-N 2 0 279.428 1.316 10 0 CDAERP CCOCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001568429677 1169284422 /nfs/dbraw/zinc/28/44/22/1169284422.db2.gz OEIFOMOQBKAUME-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP CCOCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001568429676 1169284513 /nfs/dbraw/zinc/28/45/13/1169284513.db2.gz OEIFOMOQBKAUME-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@H](F)C[NH2+]C/C=C/CNC(=O)C[NH+]1CCC(C)CC1 ZINC001568939451 1169555305 /nfs/dbraw/zinc/55/53/05/1169555305.db2.gz MIZUADITDMWACH-RGDDUWESSA-N 2 0 299.434 1.728 10 0 CDAERP C[C@@H](C[NH2+]CCC(F)(F)F)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001569064253 1169626706 /nfs/dbraw/zinc/62/67/06/1169626706.db2.gz BECIATGNSBMPCL-WDEREUQCSA-N 2 0 295.349 1.517 10 0 CDAERP Cc1cnc(C[NH2+]CCCN(C)C(=O)C[N@@H+](C)C(C)C)o1 ZINC001569270290 1169742862 /nfs/dbraw/zinc/74/28/62/1169742862.db2.gz PVPXAZGLXWZOGG-UHFFFAOYSA-N 2 0 296.415 1.261 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CC[NH+]2CCCCCF)C1 ZINC001569379562 1169831420 /nfs/dbraw/zinc/83/14/20/1169831420.db2.gz DCABAAGUNSLJLD-GJZGRUSLSA-N 2 0 299.434 1.659 10 0 CDAERP CC[NH2+]CCC[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001571308437 1170364176 /nfs/dbraw/zinc/36/41/76/1170364176.db2.gz NGVNJEQGNKZEBF-ZDUSSCGKSA-N 2 0 271.449 1.859 10 0 CDAERP CC(C)[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001571324216 1170364726 /nfs/dbraw/zinc/36/47/26/1170364726.db2.gz AIRKVOOPZKQUPH-CHWSQXEVSA-N 2 0 255.406 1.221 10 0 CDAERP C[NH+]1CCC(NC(=O)C[N@@H+]2CC=CC23CCCCC3)CC1 ZINC001655134497 1171671806 /nfs/dbraw/zinc/67/18/06/1171671806.db2.gz XNGCFZJQQATYSY-UHFFFAOYSA-N 2 0 291.439 1.772 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001661614185 1172417328 /nfs/dbraw/zinc/41/73/28/1172417328.db2.gz FJJICWNMYPCLRE-HZSPNIEDSA-N 2 0 267.417 1.508 10 0 CDAERP CC(C)[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001661690151 1172427040 /nfs/dbraw/zinc/42/70/40/1172427040.db2.gz JCSVFWNTJACMNH-OKILXGFUSA-N 2 0 267.417 1.508 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001665484672 1173003362 /nfs/dbraw/zinc/00/33/62/1173003362.db2.gz XGSWLJFYZRPYKJ-NFAHFFEMSA-N 2 0 281.444 1.875 10 0 CDAERP C[C@H](CC[NH2+]CCC1CC1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001668113515 1173371187 /nfs/dbraw/zinc/37/11/87/1173371187.db2.gz WRYJRBJRVBEQNW-HIFRSBDPSA-N 2 0 281.444 1.755 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CCCC[C@@H]1C[NH2+]C/C=C\Cl ZINC001673131421 1173827310 /nfs/dbraw/zinc/82/73/10/1173827310.db2.gz JNCGNYKNOPCUEX-BRLPQQTGSA-N 2 0 299.846 1.805 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001690355074 1175447779 /nfs/dbraw/zinc/44/77/79/1175447779.db2.gz LIOGTUCOFFCWFN-OKILXGFUSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)[NH2+]CCCF ZINC001690632380 1175531243 /nfs/dbraw/zinc/53/12/43/1175531243.db2.gz XHCIXSFJPVBRNS-CYBMUJFWSA-N 2 0 295.402 1.816 10 0 CDAERP CCCCC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001690739122 1175560083 /nfs/dbraw/zinc/56/00/83/1175560083.db2.gz JUHJZGSWKVCOHK-CVEARBPZSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C[NH2+]C/C=C\Cl ZINC001698770101 1175925789 /nfs/dbraw/zinc/92/57/89/1175925789.db2.gz GHHGDIGITWXISK-NZTAEXDXSA-N 2 0 287.835 1.423 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001698823283 1175950017 /nfs/dbraw/zinc/95/00/17/1175950017.db2.gz HREFXPVHWSENDX-RRFJBIMHSA-N 2 0 281.444 1.729 10 0 CDAERP C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1C[NH2+]CCC1CC1 ZINC001698950512 1175994163 /nfs/dbraw/zinc/99/41/63/1175994163.db2.gz TWKHVJQWPCAKCO-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)C(C)C ZINC001699767339 1176613739 /nfs/dbraw/zinc/61/37/39/1176613739.db2.gz PVHZUUNKZMRNGP-OAHLLOKOSA-N 2 0 283.460 1.953 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](CCCOC)CC1 ZINC001700204452 1176798065 /nfs/dbraw/zinc/79/80/65/1176798065.db2.gz YAPZZEJRTGTJEG-HNNXBMFYSA-N 2 0 299.459 1.335 10 0 CDAERP CC[C@@H](C)C[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001700490327 1176980030 /nfs/dbraw/zinc/98/00/30/1176980030.db2.gz ZPXDHFKJLVAIIZ-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP CCC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)[C@@H]1C ZINC001700885078 1177177084 /nfs/dbraw/zinc/17/70/84/1177177084.db2.gz LQURKWSEWPHTKS-KBPBESRZSA-N 2 0 269.433 1.706 10 0 CDAERP C[NH+](C)CCCC(=O)NCC1=CC[N@H+](CC2CC2)CC1 ZINC001701056091 1177259345 /nfs/dbraw/zinc/25/93/45/1177259345.db2.gz WMSSPFIUARPISL-UHFFFAOYSA-N 2 0 279.428 1.487 10 0 CDAERP C[C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@H](C[NH2+]CCF)C1 ZINC001707162566 1177960934 /nfs/dbraw/zinc/96/09/34/1177960934.db2.gz ZXTWVWRMPWERNX-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP CCCC[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001707398103 1178019679 /nfs/dbraw/zinc/01/96/79/1178019679.db2.gz MDADVXHJZYQFSB-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP C[NH+](C)C1(C(=O)NCCC[N@@H+](C)CC2CC2)CCC1 ZINC001712951070 1178263098 /nfs/dbraw/zinc/26/30/98/1178263098.db2.gz BMXOMZBGWNMOGR-UHFFFAOYSA-N 2 0 267.417 1.319 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]([NH2+]CCCF)C2CC2)C1 ZINC001713123038 1178380804 /nfs/dbraw/zinc/38/08/04/1178380804.db2.gz MDWLUZIBPYAUDD-TZMCWYRMSA-N 2 0 285.407 1.172 10 0 CDAERP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCCCCF)C2)CC[N@@H+]1C ZINC001713160525 1178405443 /nfs/dbraw/zinc/40/54/43/1178405443.db2.gz OEAXQDHDUKJKLO-KBUPBQIOSA-N 2 0 299.434 1.703 10 0 CDAERP CN(CC[NH2+]CC1CC(C)(C)C1)C(=O)C1CC[NH+](C)CC1 ZINC001713630145 1178689229 /nfs/dbraw/zinc/68/92/29/1178689229.db2.gz FBUFNYOEGGCXBX-UHFFFAOYSA-N 2 0 295.471 1.812 10 0 CDAERP CCCC[NH2+]CCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001713665943 1178701381 /nfs/dbraw/zinc/70/13/81/1178701381.db2.gz AHNKERJZQHMQOC-KBPBESRZSA-N 2 0 269.433 1.707 10 0 CDAERP O=C(NC[C@H]([NH2+]CCCF)C1CC1)[C@@]12CC[N@H+](C1)CCC2 ZINC001713882346 1178812000 /nfs/dbraw/zinc/81/20/00/1178812000.db2.gz WPUZXOYVGPCWHQ-HOCLYGCPSA-N 2 0 297.418 1.316 10 0 CDAERP CCOCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001713948712 1178878645 /nfs/dbraw/zinc/87/86/45/1178878645.db2.gz WNWCCKMJEVGIGG-KKUMJFAQSA-N 2 0 297.443 1.133 10 0 CDAERP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC1CCCC1 ZINC001714304154 1179075482 /nfs/dbraw/zinc/07/54/82/1179075482.db2.gz DYETVZDYYOYRFH-CYBMUJFWSA-N 2 0 267.417 1.367 10 0 CDAERP CC[C@H](C)C[NH2+][C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001714308543 1179078442 /nfs/dbraw/zinc/07/84/42/1179078442.db2.gz GFVOAEVWACBCJH-QWHCGFSZSA-N 2 0 257.422 1.467 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CCF ZINC001714395040 1179122420 /nfs/dbraw/zinc/12/24/20/1179122420.db2.gz ABXXONPSGBIFQR-OLZOCXBDSA-N 2 0 273.396 1.172 10 0 CDAERP CCCCC[NH2+]CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001714730299 1179364251 /nfs/dbraw/zinc/36/42/51/1179364251.db2.gz GOAIIMNGKSPAKR-UHFFFAOYSA-N 2 0 281.444 1.853 10 0 CDAERP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCCCCF)C1 ZINC001715033456 1179518038 /nfs/dbraw/zinc/51/80/38/1179518038.db2.gz WOTDCGLZKPJWNA-HUUCEWRRSA-N 2 0 299.434 1.611 10 0 CDAERP C[C@H](C[NH2+]C/C=C\Cl)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001715330306 1179627901 /nfs/dbraw/zinc/62/79/01/1179627901.db2.gz LPIPFBJHTVVVLX-WLFHHNNMSA-N 2 0 299.846 1.517 10 0 CDAERP CC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001715830534 1179853208 /nfs/dbraw/zinc/85/32/08/1179853208.db2.gz BDLMJJOEDXTMLG-VSVUCHCSSA-N 2 0 265.401 1.285 10 0 CDAERP CC[C@H](F)C[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001715833059 1179855572 /nfs/dbraw/zinc/85/55/72/1179855572.db2.gz GVYOIZVMNCHUDB-BUHQSOCUSA-N 2 0 285.407 1.481 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@H]1CCC[C@H]1C[NH2+]CCCF ZINC001716075940 1180032545 /nfs/dbraw/zinc/03/25/45/1180032545.db2.gz TVYLYROUCNNRIJ-KBPBESRZSA-N 2 0 285.407 1.316 10 0 CDAERP CC[NH2+]CCN(CC)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001716223792 1180109245 /nfs/dbraw/zinc/10/92/45/1180109245.db2.gz DSWWDURDVFIZQF-KBPBESRZSA-N 2 0 267.417 1.461 10 0 CDAERP CCN(CC[NH2+]CC=C(C)C)C(=O)C[N@H+](C)C(C)C ZINC001716255884 1180121311 /nfs/dbraw/zinc/12/13/11/1180121311.db2.gz HKQXPDIPNUORJM-UHFFFAOYSA-N 2 0 269.433 1.731 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC/C=C\C[NH2+]CC2CCC2)C1 ZINC001716368343 1180170840 /nfs/dbraw/zinc/17/08/40/1180170840.db2.gz QAFNSHPGIKFKDI-GWQWAINWSA-N 2 0 279.428 1.390 10 0 CDAERP CCCC[NH2+]C[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001716412350 1180193370 /nfs/dbraw/zinc/19/33/70/1180193370.db2.gz FCGZLKVTGHYEIH-CHWSQXEVSA-N 2 0 255.406 1.223 10 0 CDAERP CC(C)=CC[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001716549630 1180280896 /nfs/dbraw/zinc/28/08/96/1180280896.db2.gz ZMDQSXNTOYVXPK-OAHLLOKOSA-N 2 0 281.444 1.875 10 0 CDAERP C[NH+]1CCC(CC(=O)N2CC[C@@](C)(C[NH2+]CCF)C2)CC1 ZINC001716875867 1180450646 /nfs/dbraw/zinc/45/06/46/1180450646.db2.gz NORMFDJUTNIWAN-INIZCTEOSA-N 2 0 299.434 1.516 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@H]([C@H](C)[NH2+]CCCF)C1 ZINC001716973406 1180486449 /nfs/dbraw/zinc/48/64/49/1180486449.db2.gz MKOQFWXWEYSOOZ-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@@H](F)CC[NH2+]CC[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001717096027 1180531008 /nfs/dbraw/zinc/53/10/08/1180531008.db2.gz BOGFHWKCPFNTFV-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001717122920 1180536476 /nfs/dbraw/zinc/53/64/76/1180536476.db2.gz QTFWRSRPQIEUCW-HDJSIYSDSA-N 2 0 269.433 1.613 10 0 CDAERP CCCC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001717279008 1180601979 /nfs/dbraw/zinc/60/19/79/1180601979.db2.gz HATOXGNOUKQXGD-UONOGXRCSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H]1[C@H]([NH2+]CCCF)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001717794132 1180858008 /nfs/dbraw/zinc/85/80/08/1180858008.db2.gz SBJFDAYFAKCMAD-TZMCWYRMSA-N 2 0 285.407 1.409 10 0 CDAERP CC(C)[NH2+]C1CC(N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001717998638 1180964513 /nfs/dbraw/zinc/96/45/13/1180964513.db2.gz LXMNNVDHVHGRJR-UHFFFAOYSA-N 2 0 269.433 1.706 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH2+]C/C=C/Cl)C1CC1 ZINC001723354569 1181542959 /nfs/dbraw/zinc/54/29/59/1181542959.db2.gz GYFIIYXWKMFASE-LVDDQXARSA-N 2 0 287.835 1.564 10 0 CDAERP CC[NH2+]CCC[C@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001725385221 1181983387 /nfs/dbraw/zinc/98/33/87/1181983387.db2.gz BDEUREUGDJUZJA-UONOGXRCSA-N 2 0 269.433 1.755 10 0 CDAERP CC[NH2+]CCC[C@@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001725390752 1181985333 /nfs/dbraw/zinc/98/53/33/1181985333.db2.gz BQDQZXHMSDESNR-CQSZACIVSA-N 2 0 299.459 1.239 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]CCCF)CN1C(=O)CCCC[NH+](C)C ZINC001725595914 1182066635 /nfs/dbraw/zinc/06/66/35/1182066635.db2.gz QMOFEAIVCLLQGF-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262028808 1182204169 /nfs/dbraw/zinc/20/41/69/1182204169.db2.gz BHVVECSGQBYVST-OFQRWUPVSA-N 2 0 281.444 1.613 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCCC[N@H+](C)CCF)C1 ZINC001731278092 1182291410 /nfs/dbraw/zinc/29/14/10/1182291410.db2.gz OOQGEXYVCSJVDH-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001731452912 1182395716 /nfs/dbraw/zinc/39/57/16/1182395716.db2.gz XQQIAVBQZFFYRR-HDJSIYSDSA-N 2 0 267.417 1.365 10 0 CDAERP CC/C=C\CC[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001731638327 1182495094 /nfs/dbraw/zinc/49/50/94/1182495094.db2.gz XQBICKUDCGDYBM-QJTIAFMVSA-N 2 0 267.417 1.389 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@H]([NH2+]CCCF)C1 ZINC001731696762 1182522575 /nfs/dbraw/zinc/52/25/75/1182522575.db2.gz BDKLQILYGJZVPD-KBPBESRZSA-N 2 0 287.423 1.705 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)CC[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001731972844 1182709356 /nfs/dbraw/zinc/70/93/56/1182709356.db2.gz ZIUQRSRALRYOBF-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@@H](F)CC[NH2+]CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001731975196 1182710185 /nfs/dbraw/zinc/71/01/85/1182710185.db2.gz PITYRAFLFWSDSF-OLZOCXBDSA-N 2 0 273.396 1.124 10 0 CDAERP CN(CC[NH2+]CCC(C)(C)C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001731983041 1182713204 /nfs/dbraw/zinc/71/32/04/1182713204.db2.gz DFFRUBBLQCBVHN-CYBMUJFWSA-N 2 0 269.433 1.422 10 0 CDAERP C[C@H](C[NH2+]CCC1CCCC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001732454623 1182973851 /nfs/dbraw/zinc/97/38/51/1182973851.db2.gz PDPYSQBWGWZXIZ-GDBMZVCRSA-N 2 0 295.471 1.955 10 0 CDAERP CC[NH2+]CC[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001732513734 1182993186 /nfs/dbraw/zinc/99/31/86/1182993186.db2.gz GKOSZQOQLAVXMP-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CCF)CC1 ZINC001732618589 1183049427 /nfs/dbraw/zinc/04/94/27/1183049427.db2.gz AWINKYVMMFWIOQ-QWHCGFSZSA-N 2 0 285.407 1.172 10 0 CDAERP C[C@H](CC[NH2+]CC1CCC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001732725132 1183100393 /nfs/dbraw/zinc/10/03/93/1183100393.db2.gz XPAMHNLEOVKMOI-CYBMUJFWSA-N 2 0 281.444 1.613 10 0 CDAERP CC[NH2+]CC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001732754935 1183109739 /nfs/dbraw/zinc/10/97/39/1183109739.db2.gz PUAUMJDTTPQKKQ-UONOGXRCSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)C[NH2+]C/C=C/CNC(=O)C12CC[NH+](CC1)C2 ZINC001732922088 1183186785 /nfs/dbraw/zinc/18/67/85/1183186785.db2.gz FEQZAOATHMWGLM-ONEGZZNKSA-N 2 0 265.401 1.000 10 0 CDAERP COCCCC[NH2+]C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001732960908 1183206188 /nfs/dbraw/zinc/20/61/88/1183206188.db2.gz AVTAOULYENXGJU-CQSZACIVSA-N 2 0 297.443 1.136 10 0 CDAERP CCC[NH2+]CCN(CCO)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001733625905 1183482379 /nfs/dbraw/zinc/48/23/79/1183482379.db2.gz AOZMTBDVQIVYKW-OAHLLOKOSA-N 2 0 299.459 1.071 10 0 CDAERP C[C@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]CCC1CC1 ZINC001734002563 1183610393 /nfs/dbraw/zinc/61/03/93/1183610393.db2.gz LXNFXYKAYSGXOH-STQMWFEESA-N 2 0 267.417 1.365 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC ZINC001734039955 1183630106 /nfs/dbraw/zinc/63/01/06/1183630106.db2.gz UWZOLQPMTZYVST-STQMWFEESA-N 2 0 255.406 1.317 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H](C[NH2+]CCF)C1 ZINC001734482721 1183782140 /nfs/dbraw/zinc/78/21/40/1183782140.db2.gz OPRVLJKWEDWVQB-QWHCGFSZSA-N 2 0 273.396 1.172 10 0 CDAERP C[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CCC[N@@H+]1CCCO ZINC001734456722 1183785759 /nfs/dbraw/zinc/78/57/59/1183785759.db2.gz IGBJBVAIECMLIQ-GJZGRUSLSA-N 2 0 299.459 1.070 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000344173894 1164339554 /nfs/dbraw/zinc/33/95/54/1164339554.db2.gz FKBYHGKALRUDLV-UGUYLWEFSA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@H]1CCN(C(=[NH2+])NC[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000864453679 1164544880 /nfs/dbraw/zinc/54/48/80/1164544880.db2.gz AVUNKNRSNVWNQT-CABCVRRESA-N 2 0 295.475 1.126 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000713051629 738408847 /nfs/dbraw/zinc/40/88/47/738408847.db2.gz OJRDBABNHNWEAF-MCIONIFRSA-N 2 0 281.444 1.691 10 0 CDAERP CCN(CC[NH2+][C@H](C)[C@@H]1C[C@H]1C(=O)OC)C(C)C ZINC000850113750 736357237 /nfs/dbraw/zinc/35/72/37/736357237.db2.gz UGZYVQMIKXAACD-FRRDWIJNSA-N 2 0 256.390 1.504 10 0 CDAERP C[C@H]1CCCN(C(=[NH2+])NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000849049242 736366534 /nfs/dbraw/zinc/36/65/34/736366534.db2.gz PJUVTRUPPLBTCY-RWMBFGLXSA-N 2 0 252.406 1.583 10 0 CDAERP C[N@@H+]1CCN(C(=O)[C@H]2CCc3nccn3C2)CCC1(C)C ZINC000871153034 736367465 /nfs/dbraw/zinc/36/74/65/736367465.db2.gz CVWURKUWNVODMO-ZDUSSCGKSA-N 2 0 290.411 1.388 10 0 CDAERP CC1(C)[NH2+]CC[C@@H]1N[C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925880961 736429095 /nfs/dbraw/zinc/42/90/95/736429095.db2.gz DDSUJSCTWWZKJY-YQQAZPJKSA-N 2 0 273.424 1.776 10 0 CDAERP Cn1cc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)c(Cl)n1 ZINC000856766145 736464824 /nfs/dbraw/zinc/46/48/24/736464824.db2.gz WLWQMQDHESZJIW-UHFFFAOYSA-N 2 0 299.850 1.189 10 0 CDAERP [NH3+][C@H]1C[C@H]([NH2+][C@@H]2CCCC(F)(F)[C@H]2O)C12CCC2 ZINC000925688473 736547820 /nfs/dbraw/zinc/54/78/20/736547820.db2.gz FQBBKCKFHMUZLH-RCWTZXSCSA-N 2 0 260.328 1.395 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCCC3(CC3)C2)CC1 ZINC000723569892 736566017 /nfs/dbraw/zinc/56/60/17/736566017.db2.gz AGSMNZXXOUBYSR-CYBMUJFWSA-N 2 0 252.402 1.756 10 0 CDAERP OC[C@@H]1CCC[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000385528385 736636841 /nfs/dbraw/zinc/63/68/41/736636841.db2.gz QTUXQHCPVXVLDB-SRGUQECISA-N 2 0 250.386 1.124 10 0 CDAERP C(C1CC1)[N@@H+]1CC[C@@H](N[C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925557321 736640607 /nfs/dbraw/zinc/64/06/07/736640607.db2.gz OFNHPSZPVATUPW-HUUCEWRRSA-N 2 0 263.429 1.735 10 0 CDAERP C[N@@H+]1C[C@@H](CNC(=[NH2+])NC2CC2)[C@H](c2ccccc2)C1 ZINC000849045795 736689998 /nfs/dbraw/zinc/68/99/98/736689998.db2.gz GVWKAKAHOYWPTQ-HIFRSBDPSA-N 2 0 272.396 1.608 10 0 CDAERP CC(C)[C@@H]([NH3+])CCN(C)C(=O)CCC12CC(C1)C[NH2+]2 ZINC000870937679 736715038 /nfs/dbraw/zinc/71/50/38/736715038.db2.gz PRVWGMMFXFBIJU-OWYJLGKBSA-N 2 0 267.417 1.350 10 0 CDAERP C[C@H]1CCCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)[C@@H]1CC[NH3+] ZINC000872302697 736823166 /nfs/dbraw/zinc/82/31/66/736823166.db2.gz JCDOXKZVGDFNCV-ARUSPNSKSA-N 2 0 265.401 1.090 10 0 CDAERP C[N@@H+]1C[C@@H]2C[NH+](CC[C@@H]3CCC[NH2+]C3)C[C@]2(C)C1 ZINC000702338485 736868563 /nfs/dbraw/zinc/86/85/63/736868563.db2.gz ZJKIIRSPULNXMM-ZNMIVQPWSA-N 3 0 251.418 1.260 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CCC[C@H]2CCOC2=O)CC[N@@H+]1C ZINC000872116925 736918135 /nfs/dbraw/zinc/91/81/35/736918135.db2.gz NJYQVYGUABBETK-FRRDWIJNSA-N 2 0 254.374 1.402 10 0 CDAERP c1ccc2c(c1)CC[C@@]21CC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000872146171 736970173 /nfs/dbraw/zinc/97/01/73/736970173.db2.gz HMBZDCJIBSFGNK-SFHVURJKSA-N 2 0 285.435 1.482 10 0 CDAERP C[C@@H]1C[C@@H]1NC(=[NH2+])NCCCCC[NH+]1CCCC1 ZINC000864465740 736999817 /nfs/dbraw/zinc/99/98/17/736999817.db2.gz BPXKMSYCVFLHGR-OLZOCXBDSA-N 2 0 252.406 1.775 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)CC(C)(C)O)C1 ZINC000872203402 738464319 /nfs/dbraw/zinc/46/43/19/738464319.db2.gz XRBYDJSSJSYUER-KBPBESRZSA-N 2 0 272.433 1.076 10 0 CDAERP CC(C)OCC[C@H](O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923494691 737049324 /nfs/dbraw/zinc/04/93/24/737049324.db2.gz ZYSWSLFGWBNUJI-RDBSUJKOSA-N 2 0 258.406 1.079 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](C)C1 ZINC000925339979 737061055 /nfs/dbraw/zinc/06/10/55/737061055.db2.gz ZWOFZSRILAATGE-TUVASFSCSA-N 2 0 296.459 1.451 10 0 CDAERP [NH3+]CCCCCCNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000861647964 737101827 /nfs/dbraw/zinc/10/18/27/737101827.db2.gz LWIVZWLBPFHMEY-GFCCVEGCSA-N 2 0 268.405 1.089 10 0 CDAERP [NH3+]CCCCCCC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000843474471 737126257 /nfs/dbraw/zinc/12/62/57/737126257.db2.gz OYNOVGANMOBJJA-OAHLLOKOSA-N 2 0 267.417 1.498 10 0 CDAERP COC[C@@H](C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1)C(C)C ZINC000931074400 737134392 /nfs/dbraw/zinc/13/43/92/737134392.db2.gz FFUBYNMEMILUKA-CVEARBPZSA-N 2 0 286.460 1.948 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@@H]1C[C@H]3CCC[C@@H]3O1)C2 ZINC000720788410 737134405 /nfs/dbraw/zinc/13/44/05/737134405.db2.gz KVFCUHWLSFUYEH-RHTUOURWSA-N 2 0 250.386 1.756 10 0 CDAERP CCC[NH2+][C@@H](C)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000870991739 737258468 /nfs/dbraw/zinc/25/84/68/737258468.db2.gz GZSUSVBDRUSNQE-WFASDCNBSA-N 2 0 269.433 1.598 10 0 CDAERP C[N@@H+]1CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CCC1(C)C ZINC000712670488 737272300 /nfs/dbraw/zinc/27/23/00/737272300.db2.gz JXXZBYGPMZMBEN-LLVKDONJSA-N 2 0 255.406 1.303 10 0 CDAERP Fc1ccc2c(c1)[C@H](N1CC[NH2+]CC[NH2+]CC1)CCC2 ZINC000923460898 737343070 /nfs/dbraw/zinc/34/30/70/737343070.db2.gz XJSKCOBAEWSLGO-MRXNPFEDSA-N 2 0 277.387 1.698 10 0 CDAERP [NH3+]CCCCCCC[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000843392475 737345154 /nfs/dbraw/zinc/34/51/54/737345154.db2.gz PKXXIDQKWAWUMN-CQSZACIVSA-N 2 0 277.416 1.872 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@]12C[C@H]1COC21CCC1 ZINC000933388733 737320946 /nfs/dbraw/zinc/32/09/46/737320946.db2.gz KQXLBNLTBNMFOJ-GZBFAFLISA-N 2 0 250.386 1.772 10 0 CDAERP C(c1noc(CN2CCC3(C2)CC[NH2+]CC3)n1)C1CC1 ZINC000866661465 737355149 /nfs/dbraw/zinc/35/51/49/737355149.db2.gz QJWPUQCCUPOGEA-UHFFFAOYSA-N 2 0 276.384 1.598 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CCCCC[NH3+] ZINC000094447168 737422230 /nfs/dbraw/zinc/42/22/30/737422230.db2.gz YOOULPQUHGTQFQ-ZIAGYGMSSA-N 2 0 267.417 1.591 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)Nc1ccc(C[NH+](C)C)c(F)c1 ZINC000844189893 737437294 /nfs/dbraw/zinc/43/72/94/737437294.db2.gz UWPRPWRCCAXRHK-SNVBAGLBSA-N 2 0 267.348 1.953 10 0 CDAERP C=Cn1cc(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cn1 ZINC000877671142 737558266 /nfs/dbraw/zinc/55/82/66/737558266.db2.gz RALXQYMJCFGYKK-HZPDHXFCSA-N 2 0 291.443 1.155 10 0 CDAERP C[N@@H+]1CCC[C@@H]2CN(C[C@H](O)c3ccc(F)cn3)CC[C@@H]21 ZINC000799305222 737593387 /nfs/dbraw/zinc/59/33/87/737593387.db2.gz QZMSFHVYCDVHBU-KCXAZCMYSA-N 2 0 293.386 1.670 10 0 CDAERP CC(C)OCC[C@@H](O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000923364967 737687608 /nfs/dbraw/zinc/68/76/08/737687608.db2.gz BGXFVJHUYPAVPG-CABCVRRESA-N 2 0 270.417 1.238 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870885492 737732882 /nfs/dbraw/zinc/73/28/82/737732882.db2.gz HEDBCVXYXFITRK-NPCAHTBFSA-N 2 0 279.428 1.509 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)Nc2cc(F)cc(F)c2)CC[C@@H]1C[NH3+] ZINC000923499106 737734967 /nfs/dbraw/zinc/73/49/67/737734967.db2.gz JWAVIBCCYJTKPP-GHMZBOCLSA-N 2 0 297.349 1.820 10 0 CDAERP CC1(C)C[NH2+]C[C@H]1C(=O)NCCC[NH+]1CCCCC1 ZINC000711277698 737739439 /nfs/dbraw/zinc/73/94/39/737739439.db2.gz CCMBNAOHSZPNMF-ZDUSSCGKSA-N 2 0 267.417 1.224 10 0 CDAERP Cc1nccn1CCCC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000101643541 738504247 /nfs/dbraw/zinc/50/42/47/738504247.db2.gz UOMBIHSBSAEFMO-CQSZACIVSA-N 2 0 292.427 1.962 10 0 CDAERP CN1C[C@H](CC[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC1=O ZINC000925811412 737797583 /nfs/dbraw/zinc/79/75/83/737797583.db2.gz IGXXKQXSXSQXPQ-UXOAXIEHSA-N 2 0 279.428 1.221 10 0 CDAERP O[C@H](C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)c1ccc(F)cc1 ZINC000923414324 737812579 /nfs/dbraw/zinc/81/25/79/737812579.db2.gz LALZAEAZWFLWCQ-NUEKZKHPSA-N 2 0 278.371 1.933 10 0 CDAERP C[C@@H]1CN(c2cc[nH+]cc2C(F)(F)F)CC[N@@H+]1CCO ZINC000865689662 737816781 /nfs/dbraw/zinc/81/67/81/737816781.db2.gz LQYPTXIDWCYQSZ-SNVBAGLBSA-N 2 0 289.301 1.603 10 0 CDAERP C[N@@H+]1CC[C@H]2CN(C(=O)[C@H]([NH3+])c3ccccc3)CC[C@H]21 ZINC000870982695 737865639 /nfs/dbraw/zinc/86/56/39/737865639.db2.gz OMDAYTIEQGRLOT-RRFJBIMHSA-N 2 0 273.380 1.239 10 0 CDAERP [NH3+]Cc1ccc(-c2noc([C@@H]3C[C@H]4C[C@H]4[NH2+]3)n2)cc1 ZINC000647158807 737900142 /nfs/dbraw/zinc/90/01/42/737900142.db2.gz IDDUCASAFGUHKE-UTUOFQBUSA-N 2 0 256.309 1.618 10 0 CDAERP CS(=O)(=O)CC1(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)CCC1 ZINC000925696080 738045340 /nfs/dbraw/zinc/04/53/40/738045340.db2.gz ZHFRQFPHFVZYPI-RYUDHWBXSA-N 2 0 286.441 1.061 10 0 CDAERP CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+](C)CCCCCC[NH3+] ZINC000872155656 738112372 /nfs/dbraw/zinc/11/23/72/738112372.db2.gz XQGYNRJXLFSTQS-GFCCVEGCSA-N 2 0 286.420 1.060 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCCN3CCSC[C@H]23)C12CCC2 ZINC000720476238 738273873 /nfs/dbraw/zinc/27/38/73/738273873.db2.gz PXWQAGZMPHOVID-DGAVXFQQSA-N 2 0 281.469 1.426 10 0 CDAERP COC1CC[NH+](C(C)(C)CNC(=[NH2+])N[C@H]2C[C@H]2C)CC1 ZINC000864458075 738158094 /nfs/dbraw/zinc/15/80/94/738158094.db2.gz JCDNLHFCLZTAQJ-YPMHNXCESA-N 2 0 282.432 1.398 10 0 CDAERP CCCCOC[C@@H](O)CN1CCC([NH2+]CC2CC2)CC1 ZINC000227911428 738186775 /nfs/dbraw/zinc/18/67/75/738186775.db2.gz LRWNNCKETRKXBJ-INIZCTEOSA-N 2 0 284.444 1.628 10 0 CDAERP C[NH+](C)CCC1CC[NH+](Cc2cnc(N)cn2)CC1 ZINC000701446510 738216941 /nfs/dbraw/zinc/21/69/41/738216941.db2.gz YTJBVXMIDMKGDY-UHFFFAOYSA-N 2 0 263.389 1.223 10 0 CDAERP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000923549337 738311533 /nfs/dbraw/zinc/31/15/33/738311533.db2.gz HWOLUBASSHIAIK-HUUCEWRRSA-N 2 0 270.417 1.095 10 0 CDAERP CN1C[C@@H](CC[NH2+][C@H](CCC[NH3+])c2ccccc2)CC1=O ZINC000925813979 738313343 /nfs/dbraw/zinc/31/33/43/738313343.db2.gz WKCLBJLBXGNPBR-GOEBONIOSA-N 2 0 289.423 1.925 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=S)NCC[NH+](C)C)CC1 ZINC000865251149 738320248 /nfs/dbraw/zinc/32/02/48/738320248.db2.gz QMWSVCCMRZUJST-UHFFFAOYSA-N 2 0 286.489 1.229 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000864068227 738351222 /nfs/dbraw/zinc/35/12/22/738351222.db2.gz PIEQCDSMHKMRNY-LBPRGKRZSA-N 2 0 265.401 1.071 10 0 CDAERP CC1(C)[C@H]([NH2+]CCOCC2CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925556058 738371290 /nfs/dbraw/zinc/37/12/90/738371290.db2.gz JHAOTYVMASDKHN-HZSPNIEDSA-N 2 0 252.402 1.779 10 0 CDAERP [NH3+][C@@H]1CN(CCC[NH+]2CCCCC2)C[C@H]1C(F)(F)F ZINC000720886175 738786343 /nfs/dbraw/zinc/78/63/43/738786343.db2.gz PLCFQKNVGJGXPA-VXGBXAGGSA-N 2 0 279.350 1.684 10 0 CDAERP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000925335770 738801932 /nfs/dbraw/zinc/80/19/32/738801932.db2.gz YHDMZFZIVDXCDM-HUUCEWRRSA-N 2 0 296.459 1.596 10 0 CDAERP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1CCC[C@@H](CO)C1)[NH2+]2 ZINC000709287900 738808340 /nfs/dbraw/zinc/80/83/40/738808340.db2.gz MGAHUZJFJWIZPH-LACSLYJWSA-N 2 0 252.402 1.656 10 0 CDAERP Cc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)c(=O)n1C ZINC000925656622 738816318 /nfs/dbraw/zinc/81/63/18/738816318.db2.gz KFGSECGMZZZHBO-ZIAGYGMSSA-N 2 0 277.412 1.689 10 0 CDAERP Cc1[nH+]ccc(NCCN2CCC([NH3+])CC2)c1Cl ZINC000321790480 738817216 /nfs/dbraw/zinc/81/72/16/738817216.db2.gz KFOHRFBDJYUWPR-UHFFFAOYSA-N 2 0 268.792 1.878 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000925829024 738819471 /nfs/dbraw/zinc/81/94/71/738819471.db2.gz LWNTXMXOTRQDQW-CHWFTXMASA-N 2 0 266.307 1.956 10 0 CDAERP CC[N@H+](CC(=O)N[C@H]1CCCN2CCSC[C@H]12)C1CC1 ZINC000928105342 738823846 /nfs/dbraw/zinc/82/38/46/738823846.db2.gz RYNMZWMOUCRKCD-UONOGXRCSA-N 2 0 297.468 1.167 10 0 CDAERP C[N@@H+]1CCN(C(=O)[C@]2(C)CCC[NH2+]C2)CCC1(C)C ZINC000712678332 738824184 /nfs/dbraw/zinc/82/41/84/738824184.db2.gz MDCTUYQECKVXKM-OAHLLOKOSA-N 2 0 267.417 1.319 10 0 CDAERP COC(=O)C1=CC[C@H]([NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000863542284 738839380 /nfs/dbraw/zinc/83/93/80/738839380.db2.gz OMXRJOIJHHJFLM-WCFLWFBJSA-N 2 0 252.358 1.226 10 0 CDAERP Cn1cnc(C[NH2+]C2CCC(C[NH+](C)C)CC2)c1 ZINC000808399521 738862908 /nfs/dbraw/zinc/86/29/08/738862908.db2.gz OETKQPCSZTYWAZ-UHFFFAOYSA-N 2 0 250.390 1.630 10 0 CDAERP [NH3+]Cc1ccc2c(c1)CCCN2C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000841848496 738877329 /nfs/dbraw/zinc/87/73/29/738877329.db2.gz JLQMMEQALZDSSJ-WMLDXEAASA-N 2 0 285.391 1.424 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]CCOC[C@@H]2CCCO2)C12CCC2 ZINC000925498339 739035602 /nfs/dbraw/zinc/03/56/02/739035602.db2.gz OPXVSQHYLFLYAZ-XQQFMLRXSA-N 2 0 254.374 1.042 10 0 CDAERP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CCCNC(=O)C2)CC1 ZINC000715511608 739070085 /nfs/dbraw/zinc/07/00/85/739070085.db2.gz WIEUYKBZNYELLM-JVWICGRDSA-N 2 0 267.417 1.508 10 0 CDAERP [NH3+][C@@H]1C[C@H](NC[C@@H]2CCCC[N@@H+]2C2CC2)C12CCC2 ZINC000925652747 739195869 /nfs/dbraw/zinc/19/58/69/739195869.db2.gz SJUXFDDHWPDYNT-ZNMIVQPWSA-N 2 0 263.429 1.863 10 0 CDAERP CN(C[C@@H](O)C[NH2+]C[C@@H]1CCC2(CCC2)O1)C1CC1 ZINC000711470983 739091358 /nfs/dbraw/zinc/09/13/58/739091358.db2.gz FDSYEFVZCUCYKO-KBPBESRZSA-N 2 0 268.401 1.133 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000857253343 739093153 /nfs/dbraw/zinc/09/31/53/739093153.db2.gz KHELOWUVHQFMON-NAKRPEOUSA-N 2 0 281.227 1.912 10 0 CDAERP [NH3+]CCCCCCNC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000852893870 738905117 /nfs/dbraw/zinc/90/51/17/738905117.db2.gz BPAHXORJADNNBF-HNNXBMFYSA-N 2 0 275.396 1.856 10 0 CDAERP Cc1cncc([C@H](C)[NH2+]CCN2CCC([NH3+])CC2)c1 ZINC000925813390 738926241 /nfs/dbraw/zinc/92/62/41/738926241.db2.gz UTZVYMJVGBLALL-ZDUSSCGKSA-N 2 0 262.401 1.464 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC1(C)CC(F)(F)C1 ZINC000925733544 736380865 /nfs/dbraw/zinc/38/08/65/736380865.db2.gz JLLPWCORKBWSMC-DCAQKATOSA-N 2 0 262.344 1.764 10 0 CDAERP C[NH+](C)CC[C@H](N[C@@H]1CC[NH2+]C12CCC2)c1cccnc1 ZINC000925825962 736460642 /nfs/dbraw/zinc/46/06/42/736460642.db2.gz DCNDNHKIVVUONM-JKSUJKDBSA-N 2 0 288.439 1.949 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CCN[C@H](c1nc[nH]n1)c1cccnc1 ZINC000925803814 736521301 /nfs/dbraw/zinc/52/13/01/736521301.db2.gz VTRPQLWHUQOEKR-BZPMIXESSA-N 2 0 286.383 1.124 10 0 CDAERP CSC1(C[NH2+][C@H]2CC[NH2+]C23CCC3)CC[NH+](C)CC1 ZINC000925669280 736560179 /nfs/dbraw/zinc/56/01/79/736560179.db2.gz SGPYJTJLTKBMEE-ZDUSSCGKSA-N 3 0 283.485 1.688 10 0 CDAERP C[C@@H]1C[C@H]1NC(=[NH2+])NCC[N@H+](C)C1CCCCC1 ZINC000864451756 736584713 /nfs/dbraw/zinc/58/47/13/736584713.db2.gz JPOMISNZVREKFI-DGCLKSJQSA-N 2 0 252.406 1.773 10 0 CDAERP COCCC[NH+]1CCC(N[C@@H]2C[N@@H+]3C[C@@H]2CCC3)CC1 ZINC000924913274 736617828 /nfs/dbraw/zinc/61/78/28/736617828.db2.gz VJZWBPWKCCDDRB-GOEBONIOSA-N 2 0 281.444 1.171 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000723644639 736635773 /nfs/dbraw/zinc/63/57/73/736635773.db2.gz DUMPKJUSJPYJNB-KHMAMNHCSA-N 2 0 252.402 1.909 10 0 CDAERP C[C@@H]1[C@H](NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC[N@@H+]1C ZINC000928447200 736636039 /nfs/dbraw/zinc/63/60/39/736636039.db2.gz JHVUUCZFXPBAPN-WUHRBBMRSA-N 2 0 253.390 1.068 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1cnc2ccccc2c1 ZINC000863650013 736670287 /nfs/dbraw/zinc/67/02/87/736670287.db2.gz MLHJTRKGDPTCBG-UHFFFAOYSA-N 2 0 259.353 1.690 10 0 CDAERP CC(C)c1noc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)n1 ZINC000723882811 736685478 /nfs/dbraw/zinc/68/54/78/736685478.db2.gz LFUBUNHYTCTTHA-GHMZBOCLSA-N 2 0 252.362 1.610 10 0 CDAERP C[C@@H]1C[C@@H]1NC(=[NH2+])NCC1(N(C)C)Cc2ccccc2C1 ZINC000864460880 736792477 /nfs/dbraw/zinc/79/24/77/736792477.db2.gz KSEOQPDLBAJSLP-DOMZBBRYSA-N 2 0 286.423 1.608 10 0 CDAERP Cc1csc([C@@H]2CC[N@H+](C[C@@H]3CNCCO3)C2)n1 ZINC000872147955 736820507 /nfs/dbraw/zinc/82/05/07/736820507.db2.gz MNRHVRVLJJBGQO-NEPJUHHUSA-N 2 0 267.398 1.229 10 0 CDAERP Cn1nc(Br)cc1C[NH2+]CCC1(C[NH3+])CC1 ZINC000844903718 736971417 /nfs/dbraw/zinc/97/14/17/736971417.db2.gz LKWLFVYZXVAARL-UHFFFAOYSA-N 2 0 287.205 1.401 10 0 CDAERP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1)NC1CC1 ZINC000923506915 736985957 /nfs/dbraw/zinc/98/59/57/736985957.db2.gz HKYIESZHHSNKDK-CYBMUJFWSA-N 2 0 279.428 1.367 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925546869 736988243 /nfs/dbraw/zinc/98/82/43/736988243.db2.gz QOVUGCJISHSIKU-HZPDHXFCSA-N 3 0 296.503 1.510 10 0 CDAERP Cc1nccn1CCNC(=[NH2+])NCCc1cccs1 ZINC000849000185 737028672 /nfs/dbraw/zinc/02/86/72/737028672.db2.gz UKPCAIAQZPLCSN-UHFFFAOYSA-N 2 0 277.397 1.610 10 0 CDAERP c1n[nH]cc1CCN1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931287592 737029669 /nfs/dbraw/zinc/02/96/69/737029669.db2.gz SHBWVVZQRKDLFB-UHFFFAOYSA-N 2 0 278.400 1.139 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870972595 737031441 /nfs/dbraw/zinc/03/14/41/737031441.db2.gz MVVNZEOYKYTDBQ-AVGNSLFASA-N 2 0 253.390 1.104 10 0 CDAERP C[C@@]1(C[NH+]2CCC([C@@H]3CCCO3)CC2)CC[NH2+]C1 ZINC000261887285 737046922 /nfs/dbraw/zinc/04/69/22/737046922.db2.gz SGTQWYSPELIRSL-LSDHHAIUSA-N 2 0 252.402 1.877 10 0 CDAERP CC1(C)[NH2+]CC[C@@H]1NCCNC(=O)c1ccccc1 ZINC000925576773 737073070 /nfs/dbraw/zinc/07/30/70/737073070.db2.gz YRTAMUXUPNEVGQ-ZDUSSCGKSA-N 2 0 261.369 1.147 10 0 CDAERP C[N@H+](CCCn1ccnc1)C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000930128162 737079383 /nfs/dbraw/zinc/07/93/83/737079383.db2.gz ZPMNOYRJKFLYLC-HZSPNIEDSA-N 2 0 265.357 1.009 10 0 CDAERP C[N@@H+]1CCN(C[C@]2(C)CCC[NH2+]C2)CCC1(C)C ZINC000712669851 737235252 /nfs/dbraw/zinc/23/52/52/737235252.db2.gz FYHZSEJZPSYELL-OAHLLOKOSA-N 2 0 253.434 1.792 10 0 CDAERP CC1(C)[C@H]([NH2+]CCCOC[C@@H]2CCOC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925523297 737290923 /nfs/dbraw/zinc/29/09/23/737290923.db2.gz RVOZRIVLOATJKA-XUWVNRHRSA-N 2 0 296.455 1.796 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000852892927 737308990 /nfs/dbraw/zinc/30/89/90/737308990.db2.gz KBOGPYZBRMDTLP-ZDUSSCGKSA-N 2 0 263.385 1.087 10 0 CDAERP COC(=O)N(C)CC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925716925 737334513 /nfs/dbraw/zinc/33/45/13/737334513.db2.gz SSSCXSMJGJOWDF-MNOVXSKESA-N 2 0 257.378 1.180 10 0 CDAERP COC[C@H](C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1)OC ZINC000866710336 738959251 /nfs/dbraw/zinc/95/92/51/738959251.db2.gz YSMYTOVQDNNVOB-GXTWGEPZSA-N 2 0 258.406 1.345 10 0 CDAERP CCOC(=O)C1=CC[C@H]([NH2+][C@H](C)CCCC[NH3+])C1 ZINC000863544465 737481709 /nfs/dbraw/zinc/48/17/09/737481709.db2.gz UYDMPCIWFQPRKZ-YPMHNXCESA-N 2 0 254.374 1.745 10 0 CDAERP COc1cccc([C@@]2(C)CC[N@@H+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)C2)c1 ZINC000923389958 737488777 /nfs/dbraw/zinc/48/87/77/737488777.db2.gz QXMQVOZPDNDOHK-HJWJTTGWSA-N 2 0 290.407 1.509 10 0 CDAERP COCC1([NH2+]C[C@@H](O)C[NH+]2CCCC2)CCCCC1 ZINC000852771175 737503133 /nfs/dbraw/zinc/50/31/33/737503133.db2.gz KKQBBPSKEZLCSM-CQSZACIVSA-N 2 0 270.417 1.382 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000852860552 737605087 /nfs/dbraw/zinc/60/50/87/737605087.db2.gz GSHQERNKDQYMQN-KBPBESRZSA-N 2 0 263.385 1.039 10 0 CDAERP CC(C)CC[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923306855 737644227 /nfs/dbraw/zinc/64/42/27/737644227.db2.gz VHUJVPNURUKUJD-CQSZACIVSA-N 2 0 252.402 1.875 10 0 CDAERP CCOCC[C@H](O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000923327707 737678115 /nfs/dbraw/zinc/67/81/15/737678115.db2.gz HOJHNRVXYWXUSK-QLFBSQMISA-N 2 0 270.417 1.238 10 0 CDAERP CCCCOC(=O)CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000843387848 737747461 /nfs/dbraw/zinc/74/74/61/737747461.db2.gz WUBRMTIQBYJAOT-OKILXGFUSA-N 2 0 268.401 1.651 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925544045 737829577 /nfs/dbraw/zinc/82/95/77/737829577.db2.gz XTLIGSYMLYIJGY-LVQVYYBASA-N 3 0 297.487 1.709 10 0 CDAERP c1cc(N2CC[NH+](C[C@@H]3C[C@H]4COC[C@@H]4O3)CC2)cc[nH+]1 ZINC000929834840 737875703 /nfs/dbraw/zinc/87/57/03/737875703.db2.gz LMPTXVMGAUDPHZ-BPUTZDHNSA-N 2 0 289.379 1.008 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000226736553 737927212 /nfs/dbraw/zinc/92/72/12/737927212.db2.gz OLVPVPOWTBUBEM-MCIONIFRSA-N 2 0 269.433 1.596 10 0 CDAERP CC1(C)C[NH2+]CC[C@H](NC(=O)CCCCC[NH3+])C1 ZINC000872274477 737930800 /nfs/dbraw/zinc/93/08/00/737930800.db2.gz ZNUUOUKEYRXOSQ-LBPRGKRZSA-N 2 0 255.406 1.400 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@H](C2CC2)C2CCC2)CC1 ZINC000925815893 737949707 /nfs/dbraw/zinc/94/97/07/737949707.db2.gz BQELYDGJWWRGFU-HNNXBMFYSA-N 2 0 251.418 1.578 10 0 CDAERP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]C[C@@H](O)CC(C)(C)O)C1 ZINC000871973947 738013035 /nfs/dbraw/zinc/01/30/35/738013035.db2.gz PQARVSKUCCVKEU-KFWWJZLASA-N 2 0 286.460 1.466 10 0 CDAERP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000717999968 738037910 /nfs/dbraw/zinc/03/79/10/738037910.db2.gz ZNFMZMKXANDOTJ-YJNKXOJESA-N 2 0 279.428 1.589 10 0 CDAERP Cc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000165320909 738087353 /nfs/dbraw/zinc/08/73/53/738087353.db2.gz CWOQCRQBJAGZHD-KGLIPLIRSA-N 2 0 275.396 1.850 10 0 CDAERP O[C@@H](CNC1CC[NH+](C2CCC2)CC1)c1ccc(F)cn1 ZINC000819354433 738249940 /nfs/dbraw/zinc/24/99/40/738249940.db2.gz JZVXVVKKLREVBY-INIZCTEOSA-N 2 0 293.386 1.861 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)N(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000844182968 738271689 /nfs/dbraw/zinc/27/16/89/738271689.db2.gz ROYSUPUAKIGMLK-CYBMUJFWSA-N 2 0 293.411 1.717 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000852870353 738338522 /nfs/dbraw/zinc/33/85/22/738338522.db2.gz LNUFQPIBYSYIPW-HNNXBMFYSA-N 2 0 277.412 1.241 10 0 CDAERP C[C@@H]1C[C@H]1NC(=[NH2+])NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000864461508 738351956 /nfs/dbraw/zinc/35/19/56/738351956.db2.gz DSLKZPKTGVIJBR-IUODEOHRSA-N 2 0 287.411 1.820 10 0 CDAERP COC1(OC)CC[C@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000926487974 738374373 /nfs/dbraw/zinc/37/43/73/738374373.db2.gz QIKVXQGIONSRNG-CQSZACIVSA-N 2 0 270.417 1.994 10 0 CDAERP CC1(C)[C@@H](NC[C@@H]2CCC[NH2+]C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925691668 738375227 /nfs/dbraw/zinc/37/52/27/738375227.db2.gz JKXIENFNQPHVLZ-MQYQWHSLSA-N 2 0 251.418 1.352 10 0 CDAERP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000701919984 738386529 /nfs/dbraw/zinc/38/65/29/738386529.db2.gz CWOCLXIFGRDNJO-KBPBESRZSA-N 2 0 258.381 1.515 10 0 CDAERP CC(C)(C[NH3+])C1CC[NH+](CCN2CCCC2=O)CC1 ZINC000714410006 738991078 /nfs/dbraw/zinc/99/10/78/738991078.db2.gz IWQZRVBWWIZGFA-UHFFFAOYSA-N 2 0 267.417 1.306 10 0 CDAERP C[C@H](O)C[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1CCCCC1 ZINC000923313363 739101668 /nfs/dbraw/zinc/10/16/68/739101668.db2.gz XKAJAWLEOOVIOW-DZGCQCFKSA-N 2 0 282.428 1.380 10 0 CDAERP Cc1ccc(NC(=O)C2=NO[C@@H](C[NH3+])C2)c(C[NH+](C)C)c1 ZINC000852868218 739178304 /nfs/dbraw/zinc/17/83/04/739178304.db2.gz AINCUSIYCXKOGL-GFCCVEGCSA-N 2 0 290.367 1.099 10 0 CDAERP C1=C[C@@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)[C@H]2CO[C@@H]1C2 ZINC000925830621 739217089 /nfs/dbraw/zinc/21/70/89/739217089.db2.gz JSALHBQGVHJHDM-GEONZQJFSA-N 2 0 262.397 1.555 10 0 CDAERP CC(C)[N@H+](CCF)CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001691739672 1166851439 /nfs/dbraw/zinc/85/14/39/1166851439.db2.gz PYXWWXOPCFPPLO-UHFFFAOYSA-N 2 0 299.434 1.801 10 0 CDAERP COCC[NH2+][C@@H](C)[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001570642388 1167579900 /nfs/dbraw/zinc/57/99/00/1167579900.db2.gz TYALUUOUQNQRPK-KBPBESRZSA-N 2 0 299.459 1.236 10 0 CDAERP [NH3+][C@H]1CCCC[C@H]1C(=O)NCCC[NH+]1CCCC1 ZINC000062073422 1167836099 /nfs/dbraw/zinc/83/60/99/1167836099.db2.gz FCILLSZQWKSPLZ-OLZOCXBDSA-N 2 0 253.390 1.106 10 0 CDAERP CCC[NH2+]C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001567126816 1168046945 /nfs/dbraw/zinc/04/69/45/1168046945.db2.gz ADFKNENDZFNVGE-ZDUSSCGKSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001568190671 1168094916 /nfs/dbraw/zinc/09/49/16/1168094916.db2.gz NOSUTSRNZHVHPI-QWHCGFSZSA-N 2 0 287.423 1.418 10 0 CDAERP CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CC[N@H+](C)CC ZINC001565942188 1168203839 /nfs/dbraw/zinc/20/38/39/1168203839.db2.gz WDXOCSTZTGJQTE-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001566678601 1168386371 /nfs/dbraw/zinc/38/63/71/1168386371.db2.gz AXOHPHFWODKYCP-ABCZVMIZSA-N 2 0 291.439 1.629 10 0 CDAERP COCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001566910312 1168462386 /nfs/dbraw/zinc/46/23/86/1168462386.db2.gz QCESVEVPNBGKMS-HUUCEWRRSA-N 2 0 299.459 1.047 10 0 CDAERP [NH3+][C@@H]1CCCC[C@@H]1C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC001647231968 1168473691 /nfs/dbraw/zinc/47/36/91/1168473691.db2.gz OGVCMRWLTOVWHD-UONOGXRCSA-N 2 0 273.380 1.788 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001266328343 894408227 /nfs/dbraw/zinc/40/82/27/894408227.db2.gz ZNBWBSFABFWPMB-OAHLLOKOSA-N 2 0 293.455 1.996 10 0 CDAERP CC(C)CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001266515178 895187185 /nfs/dbraw/zinc/18/71/85/895187185.db2.gz PHQCPJNWZIDVLG-LSDHHAIUSA-N 2 0 281.444 1.707 10 0 CDAERP CCOCC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001266542178 895292909 /nfs/dbraw/zinc/29/29/09/895292909.db2.gz JGBXACAJWAZHKO-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP CN1C[C@H](CC[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)CC1=O ZINC000723539888 895988677 /nfs/dbraw/zinc/98/86/77/895988677.db2.gz OBUXPIIEPRKRLC-DFBGVHRSSA-N 2 0 273.380 1.589 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001266876367 896263590 /nfs/dbraw/zinc/26/35/90/896263590.db2.gz LNGRMXMYYCHDBS-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP CC[C@@H](C(=O)N(C)CC[NH2+]C[C@@H]1CC(C)(C)CO1)[NH+](C)C ZINC001266989182 896507211 /nfs/dbraw/zinc/50/72/11/896507211.db2.gz VEPIVYOTSVXEQQ-KBPBESRZSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@@H]1CCC[N@H+](C[C@@H]2C[C@H]3COC[C@@H]3O2)[C@@H]1CCC[NH3+] ZINC000724602476 897001609 /nfs/dbraw/zinc/00/16/09/897001609.db2.gz ZMKMXUDXCUKZTB-CWVYHPPDSA-N 2 0 282.428 1.630 10 0 CDAERP CN(CC[NH2+]Cc1cccc(Cl)c1)C(=O)CC[NH+](C)C ZINC001567555551 1168853080 /nfs/dbraw/zinc/85/30/80/1168853080.db2.gz RWVQICOMPULFSA-UHFFFAOYSA-N 2 0 297.830 1.840 10 0 CDAERP C[C@@H](F)CC[N@H+](CCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001481197149 899115544 /nfs/dbraw/zinc/11/55/44/899115544.db2.gz VEMHYQGCAXMHQG-CYBMUJFWSA-N 2 0 285.407 1.411 10 0 CDAERP CCCCOCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001267737916 899462664 /nfs/dbraw/zinc/46/26/64/899462664.db2.gz IITZXDATENWATA-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@@H]1C[N@H+](CCC[NH+]2CCCCC2)CC[C@@H]1C[NH3+] ZINC000695513950 899520214 /nfs/dbraw/zinc/52/02/14/899520214.db2.gz NIQIQEAFLLXGTR-HUUCEWRRSA-N 3 0 253.434 1.779 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCCF ZINC001267805925 899776386 /nfs/dbraw/zinc/77/63/86/899776386.db2.gz UCNKIXWSFCFZMN-FRRDWIJNSA-N 2 0 273.396 1.171 10 0 CDAERP CC/C=C/CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001267815956 899800452 /nfs/dbraw/zinc/80/04/52/899800452.db2.gz RUJOPXMSULKSKN-WLBISTCBSA-N 2 0 281.444 1.921 10 0 CDAERP C[C@H](C(=O)N(C)CC[NH2+]CC1CC1)[NH+]1CCCCCC1 ZINC001481287730 900113154 /nfs/dbraw/zinc/11/31/54/900113154.db2.gz LTVFMJVOUXBRDQ-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001481372963 900504881 /nfs/dbraw/zinc/50/48/81/900504881.db2.gz SQQXHMIZGYEUSI-HOTGVXAUSA-N 2 0 289.423 1.795 10 0 CDAERP C[C@H](C[NH2+]C/C=C\Cl)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001268056631 901025550 /nfs/dbraw/zinc/02/55/50/901025550.db2.gz TYNKIBAXLMKLBV-OXTPZFROSA-N 2 0 273.808 1.270 10 0 CDAERP C[N@H+](CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CCCF)C1CCC1 ZINC001268281164 901736645 /nfs/dbraw/zinc/73/66/45/901736645.db2.gz UZYHBFFIHLGQHP-HIFRSBDPSA-N 2 0 299.434 1.705 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001481705196 901856117 /nfs/dbraw/zinc/85/61/17/901856117.db2.gz HQECDMZWOPLEIB-CQSZACIVSA-N 2 0 269.433 1.565 10 0 CDAERP [NH3+]CC[C@H]1CCC[N@H+](C[C@H](O)CC2CCCC2)C1 ZINC000300072904 901884745 /nfs/dbraw/zinc/88/47/45/901884745.db2.gz XKFQPLJNNUHOBQ-HUUCEWRRSA-N 2 0 254.418 1.988 10 0 CDAERP C[C@@H](CC[NH2+]Cc1ccns1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268390575 901980299 /nfs/dbraw/zinc/98/02/99/901980299.db2.gz FCADJKVMHZXBNX-WCQYABFASA-N 2 0 296.440 1.222 10 0 CDAERP CC[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CCC(C)C ZINC001481812829 902166291 /nfs/dbraw/zinc/16/62/91/902166291.db2.gz UQKXBHIAJUKEMZ-HOTGVXAUSA-N 2 0 295.471 1.859 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C[NH2+]CC1CCC1 ZINC001482135263 902696210 /nfs/dbraw/zinc/69/62/10/902696210.db2.gz JGNQDNIZOXLKPB-YCPHGPKFSA-N 2 0 295.471 1.859 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@@H](C)NC(=O)Cc1[nH]cnc1C ZINC001268670957 902934707 /nfs/dbraw/zinc/93/47/07/902934707.db2.gz PXFYERJOHYWGHA-WDEREUQCSA-N 2 0 266.389 1.401 10 0 CDAERP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]CC[C@H](C)F)[NH+](C)C ZINC001268703902 902985590 /nfs/dbraw/zinc/98/55/90/902985590.db2.gz TUQJVRXWTHGLFY-RWMBFGLXSA-N 2 0 275.412 1.415 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001268711810 902996234 /nfs/dbraw/zinc/99/62/34/902996234.db2.gz WCCPCFSYLZNWSE-STQMWFEESA-N 2 0 267.417 1.223 10 0 CDAERP C[C@@H](F)CC[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268803276 903142531 /nfs/dbraw/zinc/14/25/31/903142531.db2.gz YGLXOFRGFMRKES-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP CC[C@H](C)C[NH2+]CCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001268847926 903177178 /nfs/dbraw/zinc/17/71/78/903177178.db2.gz ORRIEHBCNSCRNR-GJZGRUSLSA-N 2 0 283.460 1.812 10 0 CDAERP C[NH+](C)CCCCC(=O)NCC1C[NH+](CC2CCCC2)C1 ZINC001268895938 903220917 /nfs/dbraw/zinc/22/09/17/903220917.db2.gz GDLCPCBHZVDZPK-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CN(CCC[NH2+]CCF)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001268911886 903233918 /nfs/dbraw/zinc/23/39/18/903233918.db2.gz OVXSZFRMWPTGQY-UHFFFAOYSA-N 2 0 299.434 1.516 10 0 CDAERP CC(C)=CC[NH2+]CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001268915005 903242514 /nfs/dbraw/zinc/24/25/14/903242514.db2.gz HEWJQPCUGISDFS-UHFFFAOYSA-N 2 0 279.428 1.487 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCCCCF)C1 ZINC001269165504 903496179 /nfs/dbraw/zinc/49/61/79/903496179.db2.gz DWNGHMNYVZUVIB-CYBMUJFWSA-N 2 0 273.396 1.268 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H]1CNC(=O)Cc1cncn1C ZINC001269333158 903706613 /nfs/dbraw/zinc/70/66/13/903706613.db2.gz VCEGWMAFTYOPTO-CYBMUJFWSA-N 2 0 278.400 1.343 10 0 CDAERP CC(C)CCC[NH2+]C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001270129404 904385185 /nfs/dbraw/zinc/38/51/85/904385185.db2.gz PNBWPIQCTAGNJH-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CCCN(C(=O)CC[NH+]1CC[C@@H](F)C1)[C@@H]1CC[N@H+](C)C1 ZINC001363460294 904528209 /nfs/dbraw/zinc/52/82/09/904528209.db2.gz WHTRDJRVPOJOOK-ZIAGYGMSSA-N 2 0 285.407 1.363 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC)C1 ZINC001482322930 905002311 /nfs/dbraw/zinc/00/23/11/905002311.db2.gz FSMIRLABGSFWLY-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CCCF)[NH+](C)C ZINC001271091325 905638908 /nfs/dbraw/zinc/63/89/08/905638908.db2.gz FCFYNUMZJYDQGF-QWHCGFSZSA-N 2 0 275.412 1.369 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001423102355 905988799 /nfs/dbraw/zinc/98/87/99/905988799.db2.gz HHTFWPQWKQMFEB-TZMCWYRMSA-N 2 0 287.423 1.513 10 0 CDAERP CO[C@@H](C)C[N@@H+]1CCC[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001423691987 907717590 /nfs/dbraw/zinc/71/75/90/907717590.db2.gz BCCFBKTWPRHTEX-HOCLYGCPSA-N 2 0 299.459 1.191 10 0 CDAERP CN(CC[N@H+](C)CC1CCCC1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001482650860 908118159 /nfs/dbraw/zinc/11/81/59/908118159.db2.gz ZCDNBDOVYOIHMN-OAHLLOKOSA-N 2 0 281.444 1.519 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1coc(C)n1)[NH+](C)C ZINC001482874079 908452757 /nfs/dbraw/zinc/45/27/57/908452757.db2.gz GLRZXEQSFLXMQT-RISCZKNCSA-N 2 0 296.415 1.308 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCOC1CCC1 ZINC001567951603 1169089990 /nfs/dbraw/zinc/08/99/90/1169089990.db2.gz ATTDYIBYBIVOMV-ZFWWWQNUSA-N 2 0 297.443 1.134 10 0 CDAERP C[C@@H](F)CC[NH2+]C/C=C/CNC(=O)C12CCC[NH+]1CCC2 ZINC001483029823 908735207 /nfs/dbraw/zinc/73/52/07/908735207.db2.gz BMNMSNYSWNDNAM-BAABZTOOSA-N 2 0 297.418 1.625 10 0 CDAERP CC[NH2+]C/C=C/CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001483060090 909198165 /nfs/dbraw/zinc/19/81/65/909198165.db2.gz CRAXDXJEQAXLND-LFAOLKIESA-N 2 0 285.407 1.481 10 0 CDAERP CC(C)[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001483135715 909779292 /nfs/dbraw/zinc/77/92/92/909779292.db2.gz OUGVMFVPGFQCKF-UKRRQHHQSA-N 2 0 281.444 1.896 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]C/C=C/Cl)CC[N@@H+]1C ZINC001483227965 910293652 /nfs/dbraw/zinc/29/36/52/910293652.db2.gz AYEMPRASWXCAEM-SYNNMOHWSA-N 2 0 287.835 1.564 10 0 CDAERP COCC[NH2+][C@H](C)CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001507129545 910786995 /nfs/dbraw/zinc/78/69/95/910786995.db2.gz JJIDRTQMOFXELT-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)NCc1nccs1 ZINC001507154130 910825014 /nfs/dbraw/zinc/82/50/14/910825014.db2.gz MEZXBCIPKDGQKD-VXGBXAGGSA-N 2 0 296.440 1.031 10 0 CDAERP CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001484126007 915450157 /nfs/dbraw/zinc/45/01/57/915450157.db2.gz SFJFVTSFVBPRHO-ZFWWWQNUSA-N 2 0 267.417 1.176 10 0 CDAERP CCCCC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001484377856 915693463 /nfs/dbraw/zinc/69/34/63/915693463.db2.gz TUYGUZYGVLQGQW-GJZGRUSLSA-N 2 0 283.460 1.812 10 0 CDAERP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1[NH2+]CC1CCC1 ZINC001484904222 916256339 /nfs/dbraw/zinc/25/63/39/916256339.db2.gz JLBBCCVEVMEEHW-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC2CC2)CC1(C)C ZINC001484938122 916289553 /nfs/dbraw/zinc/28/95/53/916289553.db2.gz VLECHJWGAMARBS-CQSZACIVSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCF ZINC001485036869 916416405 /nfs/dbraw/zinc/41/64/05/916416405.db2.gz GSTYGYMECLDDDQ-GJZGRUSLSA-N 2 0 299.434 1.799 10 0 CDAERP CC(C)[NH2+][C@@H](C)[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001485211698 916677108 /nfs/dbraw/zinc/67/71/08/916677108.db2.gz IYUOZNQIUBNARN-KBPBESRZSA-N 2 0 295.471 2.000 10 0 CDAERP CC(C)C[N@H+](C)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001485373736 916907384 /nfs/dbraw/zinc/90/73/84/916907384.db2.gz VRHZWQXHYYESIZ-KGLIPLIRSA-N 2 0 269.433 1.421 10 0 CDAERP CCC[N@H+](C)CC(=O)NC1(C[NH2+]C[C@@H](C)O)CCCCC1 ZINC001485456181 916980481 /nfs/dbraw/zinc/98/04/81/916980481.db2.gz LQXVTQDBTAAIOK-CQSZACIVSA-N 2 0 299.459 1.118 10 0 CDAERP C[C@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C1CN(CCF)C1 ZINC001485509180 917049911 /nfs/dbraw/zinc/04/99/11/917049911.db2.gz HDVMAKXFHMUQSY-GXTWGEPZSA-N 2 0 285.407 1.267 10 0 CDAERP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1cncs1 ZINC001485920002 920575782 /nfs/dbraw/zinc/57/57/82/920575782.db2.gz PMIIACUIGWGDDG-NSHDSACASA-N 2 0 284.429 1.031 10 0 CDAERP CC[N@H+]1CC=C(CNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001486520558 921094853 /nfs/dbraw/zinc/09/48/53/921094853.db2.gz FBJIMWGBTZDFHT-UHFFFAOYSA-N 2 0 279.428 1.631 10 0 CDAERP CCN1CCC[C@H]1C[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000710874892 923253211 /nfs/dbraw/zinc/25/32/11/923253211.db2.gz KWSUFVJHBLOUOR-AWEZNQCLSA-N 2 0 297.443 1.927 10 0 CDAERP COCCC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001491080054 936851770 /nfs/dbraw/zinc/85/17/70/936851770.db2.gz IZPIVMDOGRJTNC-ZQDZILKHSA-N 2 0 297.443 1.133 10 0 CDAERP [NH3+][C@@H]1C[C@H](O)[C@@H]([NH+]2CCC(c3ccco3)CC2)C1 ZINC000923385642 923799273 /nfs/dbraw/zinc/79/92/73/923799273.db2.gz FHVFONWLEWQBEG-AVGNSLFASA-N 2 0 250.342 1.310 10 0 CDAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1ccns1)CC2 ZINC000923443491 923831396 /nfs/dbraw/zinc/83/13/96/923831396.db2.gz FCXSWCFHEXZEAP-LLVKDONJSA-N 2 0 267.398 1.473 10 0 CDAERP CCN(CC)C(=O)[C@@H](C)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923456891 923839240 /nfs/dbraw/zinc/83/92/40/923839240.db2.gz ZTOFSFHTTCGCMJ-KGLIPLIRSA-N 2 0 297.443 1.073 10 0 CDAERP CC[C@@H](C)C[NH2+]CCN(CC)C(=O)C[NH+]1CCCC1 ZINC001273752002 925214120 /nfs/dbraw/zinc/21/41/20/925214120.db2.gz CINQCNDUZLMJPA-CQSZACIVSA-N 2 0 269.433 1.566 10 0 CDAERP CC(C)C[NH2+][C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001410282589 925495388 /nfs/dbraw/zinc/49/53/88/925495388.db2.gz RZMLDICCUMNEET-LSDHHAIUSA-N 2 0 283.460 1.715 10 0 CDAERP C[C@H](CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CCC1CC1 ZINC001410436661 925673726 /nfs/dbraw/zinc/67/37/26/925673726.db2.gz NPNWQPIKGCJLCY-ZIAGYGMSSA-N 2 0 281.444 1.565 10 0 CDAERP CCN(CC[NH2+]C[C@H]1CCCCO1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001273297933 925758557 /nfs/dbraw/zinc/75/85/57/925758557.db2.gz DTRDKYKGTWHNAA-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP C[C@@H]1CCC[N@@H+]1CCNC(=O)N1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001414745288 925907895 /nfs/dbraw/zinc/90/78/95/925907895.db2.gz XLFHVOKHOMAADR-FMKPAKJESA-N 2 0 294.443 1.064 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001324175180 926664988 /nfs/dbraw/zinc/66/49/88/926664988.db2.gz LIDBZYGNDQRWAR-ZDUSSCGKSA-N 2 0 267.417 1.461 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001488834284 926731814 /nfs/dbraw/zinc/73/18/14/926731814.db2.gz KVABJTKVCIKQGF-ZQDZILKHSA-N 2 0 299.434 1.703 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCC[C@H](C)O)[C@@H]1C ZINC001489305827 926862980 /nfs/dbraw/zinc/86/29/80/926862980.db2.gz XLBBYSQKDJTOAQ-ZNMIVQPWSA-N 2 0 299.459 1.068 10 0 CDAERP C[C@H]([NH2+]C1CC1)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000852860825 927899476 /nfs/dbraw/zinc/89/94/76/927899476.db2.gz WDHXZJOIOIUROD-XHDPSFHLSA-N 2 0 289.379 1.427 10 0 CDAERP C[NH+](C)C1(CN[C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCC1 ZINC000693716531 937250867 /nfs/dbraw/zinc/25/08/67/937250867.db2.gz YTTIRAWGJXUNEV-HZSPNIEDSA-N 2 0 265.445 1.837 10 0 CDAERP CN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C(C)(C)C ZINC000880614197 929726638 /nfs/dbraw/zinc/72/66/38/929726638.db2.gz RXQWZBNGSSKCQL-STQMWFEESA-N 2 0 267.417 1.269 10 0 CDAERP CC1(C)CC(C[NH2+]C/C=C/CNC(=O)C[NH+]2CCCC2)C1 ZINC001274578645 931511056 /nfs/dbraw/zinc/51/10/56/931511056.db2.gz LJOGBLBUEBPNFO-ONEGZZNKSA-N 2 0 293.455 1.780 10 0 CDAERP CC[C@@H](C)C[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001275720740 931979359 /nfs/dbraw/zinc/97/93/59/931979359.db2.gz MGLOELPYYCCMRO-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP CO[C@@H]1CC[C@@H]2OCC[N@H+](CCCCCC[NH3+])[C@@H]2C1 ZINC000846223795 931996574 /nfs/dbraw/zinc/99/65/74/931996574.db2.gz ORGMIZIBMXNJNR-KFWWJZLASA-N 2 0 270.417 1.774 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)CC1CCCC1 ZINC001447999679 932143013 /nfs/dbraw/zinc/14/30/13/932143013.db2.gz PWJBKFHEYHJVPB-ZFWWWQNUSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001412593858 932537896 /nfs/dbraw/zinc/53/78/96/932537896.db2.gz PVGWISCICFHQNF-UGUYLWEFSA-N 2 0 295.471 1.905 10 0 CDAERP CC[N@@H+]1CC[C@H]1C(=O)N(C)CC[C@@H]1CCCC[NH+]1C ZINC001148164155 932659186 /nfs/dbraw/zinc/65/91/86/932659186.db2.gz FGAVFWHQKQNRIY-KBPBESRZSA-N 2 0 267.417 1.413 10 0 CDAERP Cc1nnc(CC[N@H+]2CCCC3(CC[NH+](C)CC3)C2)o1 ZINC000930310079 932728370 /nfs/dbraw/zinc/72/83/70/932728370.db2.gz RNEHZYJDYQFSNP-UHFFFAOYSA-N 2 0 278.400 1.728 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)CC1 ZINC000925111768 932852810 /nfs/dbraw/zinc/85/28/10/932852810.db2.gz CWRYABVKIJYTBB-HUUCEWRRSA-N 2 0 282.428 1.238 10 0 CDAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CC[NH+](C)[C@H]1C ZINC000925328719 932872615 /nfs/dbraw/zinc/87/26/15/932872615.db2.gz HZWDLHSQUMMPEE-LJISPDSOSA-N 2 0 294.443 1.347 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCN2CCSCC2)C1 ZINC000925481274 932891722 /nfs/dbraw/zinc/89/17/22/932891722.db2.gz IWDDOQCKHHUJQA-STQMWFEESA-N 2 0 271.474 1.531 10 0 CDAERP C[C@@H]1CCC[N@H+](CCN[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925551384 932904543 /nfs/dbraw/zinc/90/45/43/932904543.db2.gz QOUALVYKUASFHC-ZIAGYGMSSA-N 2 0 251.418 1.593 10 0 CDAERP C([NH2+][C@@H]1CCOC12CCOCC2)C1CC[NH+](C2CC2)CC1 ZINC000926306816 932980966 /nfs/dbraw/zinc/98/09/66/932980966.db2.gz HWHYOXCAZDHUMN-MRXNPFEDSA-N 2 0 294.439 1.789 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)C1 ZINC001412847922 935056827 /nfs/dbraw/zinc/05/68/27/935056827.db2.gz GAJUAPLCNFMIDT-RBSFLKMASA-N 2 0 281.444 1.706 10 0 CDAERP C[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC001413225389 935956690 /nfs/dbraw/zinc/95/66/90/935956690.db2.gz WDSSXVSTOVJKGJ-KGLIPLIRSA-N 2 0 277.412 1.025 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCCC[C@@H]1[NH3+])[N@@H+]1CCCC[C@H]1C ZINC001649856518 1169436665 /nfs/dbraw/zinc/43/66/65/1169436665.db2.gz NWMCQHSCBFHNNW-KBXIAJHMSA-N 2 0 281.444 1.883 10 0 CDAERP CC[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1[NH2+]CCCF ZINC001276772515 941041184 /nfs/dbraw/zinc/04/11/84/941041184.db2.gz OYGJIPJOGPLMKS-GJZGRUSLSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH+](C)C2CC2)C1 ZINC001362019506 970782578 /nfs/dbraw/zinc/78/25/78/970782578.db2.gz KJJDDTUBJMPMRG-ZIAGYGMSSA-N 2 0 281.444 1.706 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1CCC1CC1 ZINC001276981016 941771240 /nfs/dbraw/zinc/77/12/40/941771240.db2.gz YKIAFBUXVDMBJY-AWEZNQCLSA-N 2 0 267.417 1.317 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C[C@@H](O)C[NH+](C)C(C)C)[C@@H](C)C1 ZINC001649885951 1169467730 /nfs/dbraw/zinc/46/77/30/1169467730.db2.gz DLZLXJPUGOIPJQ-JYJNAYRXSA-N 2 0 285.476 1.350 10 0 CDAERP CCN(CC[NH2+]CC=C(Cl)Cl)C(=O)CC[NH+](C)C ZINC001568772229 1169469827 /nfs/dbraw/zinc/46/98/27/1169469827.db2.gz MTFQQPCGEWMMQT-UHFFFAOYSA-N 2 0 296.242 1.695 10 0 CDAERP C[N@@H+]1C[C@@]23CN(CCNC(=O)C4CC4)C[C@]2(C1)CCCC3 ZINC001473900601 970890315 /nfs/dbraw/zinc/89/03/15/970890315.db2.gz DBGFUNZOOJRUHV-CALCHBBNSA-N 2 0 291.439 1.320 10 0 CDAERP CCC[NH2+]CC1CC(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001282083585 942656436 /nfs/dbraw/zinc/65/64/36/942656436.db2.gz GGIIFXVQABZLDN-UHFFFAOYSA-N 2 0 255.406 1.221 10 0 CDAERP CC(C)=CC[NH+]1CC([C@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001282716470 942744726 /nfs/dbraw/zinc/74/47/26/942744726.db2.gz KTUXDTHEUMRUPM-AWEZNQCLSA-N 2 0 293.455 1.873 10 0 CDAERP CC(C)[NH2+]C[C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001283051279 942812313 /nfs/dbraw/zinc/81/23/13/942812313.db2.gz FNFKGUKIFMOZGA-JOCQHMNTSA-N 2 0 267.417 1.364 10 0 CDAERP CCOCCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001283631398 942952854 /nfs/dbraw/zinc/95/28/54/942952854.db2.gz KBJBHTIFWYDIMS-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP CCOCC[NH2+][C@H](C)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001283676579 942964323 /nfs/dbraw/zinc/96/43/23/942964323.db2.gz BPRQTFAOFXUKPB-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)CCC[NH2+][C@H]1CCN(C(=O)Cc2cnc[nH]2)[C@@H]1C ZINC001283913453 943024909 /nfs/dbraw/zinc/02/49/09/943024909.db2.gz MNXKYGVOECPSGE-HIFRSBDPSA-N 2 0 292.427 1.967 10 0 CDAERP CCC[NH2+]C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C(C)(C)C ZINC001284616263 943228211 /nfs/dbraw/zinc/22/82/11/943228211.db2.gz BECLVIZDGXGKKT-CYBMUJFWSA-N 2 0 283.460 1.859 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001332321337 943796516 /nfs/dbraw/zinc/79/65/16/943796516.db2.gz IUENZAPXKVOWBD-UONOGXRCSA-N 2 0 269.433 1.613 10 0 CDAERP CC(C)c1nccn1CC(=O)N(C)C[C@@H](C)[NH2+]CCCF ZINC001277953464 944203270 /nfs/dbraw/zinc/20/32/70/944203270.db2.gz BCWKDBVDSGHNDW-CYBMUJFWSA-N 2 0 298.406 1.803 10 0 CDAERP CCCC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001265224375 944285884 /nfs/dbraw/zinc/28/58/84/944285884.db2.gz BUSBMZZBFLCOPU-CYBMUJFWSA-N 2 0 255.406 1.319 10 0 CDAERP CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001331346746 944525773 /nfs/dbraw/zinc/52/57/73/944525773.db2.gz KIDIQDFAUMIHTD-LSDHHAIUSA-N 2 0 283.460 1.809 10 0 CDAERP CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001279311510 944794245 /nfs/dbraw/zinc/79/42/45/944794245.db2.gz NVRYCRPRCBCJMX-MRXNPFEDSA-N 2 0 289.423 1.719 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCCCCF)C2)C1 ZINC001479415217 971323041 /nfs/dbraw/zinc/32/30/41/971323041.db2.gz PPHKHLYYMNRAHW-RBSFLKMASA-N 2 0 299.434 1.562 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)C1 ZINC001362485209 971327411 /nfs/dbraw/zinc/32/74/11/971327411.db2.gz SBAMBROSBUUADQ-APIJFGDWSA-N 2 0 279.428 1.127 10 0 CDAERP CC[N@@H+]1CCN(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)[C@@H](C)C1 ZINC001479516313 971335796 /nfs/dbraw/zinc/33/57/96/971335796.db2.gz UVKQRDYRHBJFON-GJZGRUSLSA-N 2 0 298.475 1.698 10 0 CDAERP CC[C@H](F)C[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001479789130 971419006 /nfs/dbraw/zinc/41/90/06/971419006.db2.gz LCTPYJQHZFUXAG-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP CC[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001479792042 971421093 /nfs/dbraw/zinc/42/10/93/971421093.db2.gz MVAGIXQZNAKMAF-STQMWFEESA-N 2 0 255.406 1.175 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]([NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001480045052 971551400 /nfs/dbraw/zinc/55/14/00/971551400.db2.gz UBWPMJMKZMRFFO-OAHLLOKOSA-N 2 0 295.471 1.859 10 0 CDAERP COCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001480139578 971598243 /nfs/dbraw/zinc/59/82/43/971598243.db2.gz WKTULHQUYOMQEK-RBSFLKMASA-N 2 0 297.443 1.133 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001569061447 1169624707 /nfs/dbraw/zinc/62/47/07/1169624707.db2.gz CCWFZXTXGLSEAJ-NEPJUHHUSA-N 2 0 273.396 1.313 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](C/C=C/Cl)C[C@H]21)[NH+](C)C ZINC001480392340 971701306 /nfs/dbraw/zinc/70/13/06/971701306.db2.gz ATDZXSRZKZRJPY-YOLAUHGVSA-N 2 0 285.819 1.126 10 0 CDAERP CC(C)CC[NH2+][C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001480531377 971770823 /nfs/dbraw/zinc/77/08/23/971770823.db2.gz YRUZBEGNKBHNRG-CYBMUJFWSA-N 2 0 269.433 1.469 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]CCCO ZINC001480794041 971882240 /nfs/dbraw/zinc/88/22/40/971882240.db2.gz UWOZWOBPPIOQAG-LSDHHAIUSA-N 2 0 299.459 1.116 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001363495306 953380104 /nfs/dbraw/zinc/38/01/04/953380104.db2.gz GUTLHWXBCGCNDX-KBMXLJTQSA-N 2 0 281.444 1.374 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@@H](C[NH2+]C(C)C)C1 ZINC001325583755 953973781 /nfs/dbraw/zinc/97/37/81/953973781.db2.gz WZIGZGCLZKVCMR-KBPBESRZSA-N 2 0 269.433 1.421 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CC[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001493232014 971990736 /nfs/dbraw/zinc/99/07/36/971990736.db2.gz ZHISVYQBSWMNGR-UONOGXRCSA-N 2 0 299.434 1.514 10 0 CDAERP CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](C(C)C)C2)C[C@H](C)[NH2+]1 ZINC001364158684 954265848 /nfs/dbraw/zinc/26/58/48/954265848.db2.gz LKEYKDNRSNNSSF-RRFJBIMHSA-N 2 0 281.444 1.706 10 0 CDAERP C[NH+]1CCC(C(=O)N2CC[C@H](CC[NH2+]CC3CC3)C2)CC1 ZINC001326352928 954336536 /nfs/dbraw/zinc/33/65/36/954336536.db2.gz PPGLOBJRXMKRCY-HNNXBMFYSA-N 2 0 293.455 1.566 10 0 CDAERP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001363244649 972013999 /nfs/dbraw/zinc/01/39/99/972013999.db2.gz FTXUHHBINNPWGQ-HUUCEWRRSA-N 2 0 299.434 1.657 10 0 CDAERP CCCC[NH2+]C1(C)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001328039606 955169342 /nfs/dbraw/zinc/16/93/42/955169342.db2.gz SIEHFADDTBNKBL-UHFFFAOYSA-N 2 0 293.455 1.853 10 0 CDAERP CC[C@@H](F)C[NH2+]CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001493574250 972083899 /nfs/dbraw/zinc/08/38/99/972083899.db2.gz DTZPNDHSMLRXBU-GFCCVEGCSA-N 2 0 273.396 1.267 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1 ZINC001421492963 955372161 /nfs/dbraw/zinc/37/21/61/955372161.db2.gz QTTDFGHDELYGHQ-CVEARBPZSA-N 2 0 289.423 1.623 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCF ZINC001421633204 955444188 /nfs/dbraw/zinc/44/41/88/955444188.db2.gz KDTSLTBJXYTDES-GJZGRUSLSA-N 2 0 299.434 1.753 10 0 CDAERP CCOCC[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001491897645 955497705 /nfs/dbraw/zinc/49/77/05/955497705.db2.gz YTYQBTPPHJIMKX-LSDHHAIUSA-N 2 0 299.459 1.380 10 0 CDAERP CCC[NH2+]CC1CC(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001328868334 955526910 /nfs/dbraw/zinc/52/69/10/955526910.db2.gz DHCLUIXCLDJGHV-UHFFFAOYSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CC[C@H](CC[NH+](C)C)C2)CC[N@@H+]1C ZINC001363349165 972105699 /nfs/dbraw/zinc/10/56/99/972105699.db2.gz WJHBHLIZYWVCJW-KKUMJFAQSA-N 2 0 281.444 1.517 10 0 CDAERP CC[C@@H](F)C[NH+]1CC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001421854328 955597096 /nfs/dbraw/zinc/59/70/96/955597096.db2.gz YLVZOOYQLWSUPA-CQSZACIVSA-N 2 0 299.434 1.611 10 0 CDAERP CN(CC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)C(=O)C[NH+]1CCCC1 ZINC001493793356 972115400 /nfs/dbraw/zinc/11/54/00/972115400.db2.gz HACUZFHJNOMWHE-OWCLPIDISA-N 2 0 293.455 1.566 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC[C@]2(CC[NH+](CC)C2)C1 ZINC001421958621 955675689 /nfs/dbraw/zinc/67/56/89/955675689.db2.gz QLJNFPKUMUMSKH-MRXNPFEDSA-N 2 0 281.444 1.663 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001492285891 955784404 /nfs/dbraw/zinc/78/44/04/955784404.db2.gz AHEWASHKOSIFBP-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP CC[C@@H]1CCN(C(=[NH2+])NCCC[NH+]2CCCC2)C1 ZINC001329304469 955811257 /nfs/dbraw/zinc/81/12/57/955811257.db2.gz RSHZYGWYHZHHRB-CYBMUJFWSA-N 2 0 252.406 1.729 10 0 CDAERP COC[C@H](C)[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001422242226 955884273 /nfs/dbraw/zinc/88/42/73/955884273.db2.gz HNNGIOXXGMNKAW-GJZGRUSLSA-N 2 0 297.443 1.040 10 0 CDAERP CC[C@@H](C)C[NH2+]CC1CC(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001422273712 955905671 /nfs/dbraw/zinc/90/56/71/955905671.db2.gz RBLRUVADXHFVIJ-WLYUNCDWSA-N 2 0 295.471 1.859 10 0 CDAERP CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC)[NH+](CC)CC ZINC001493923353 972139167 /nfs/dbraw/zinc/13/91/67/972139167.db2.gz ICXGXOBXWNFWKR-QLFBSQMISA-N 2 0 281.444 1.802 10 0 CDAERP CCC[N@H+](CCO)[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001365875469 956416688 /nfs/dbraw/zinc/41/66/88/956416688.db2.gz MWJUAXNYQFCDMQ-HNNXBMFYSA-N 2 0 299.459 1.022 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2CCC[NH+](CC)[C@@H]2C1(C)C ZINC001365877614 956417731 /nfs/dbraw/zinc/41/77/31/956417731.db2.gz SEJHTCKSASWTDW-BMFZPTHFSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)C[NH2+]C[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001422903812 956439618 /nfs/dbraw/zinc/43/96/18/956439618.db2.gz AHHBGJFQQCMMKY-HDJSIYSDSA-N 2 0 279.428 1.223 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC2CC(C)C2)C1 ZINC001366008059 956506146 /nfs/dbraw/zinc/50/61/46/956506146.db2.gz ZGQQBIMIKFILBE-NRXISQOPSA-N 2 0 281.444 1.563 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001366063279 956541421 /nfs/dbraw/zinc/54/14/21/956541421.db2.gz NEQDXJLFHUJNSP-ZIAGYGMSSA-N 2 0 297.418 1.315 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H](C[NH2+]CCC3CC3)C2)C1 ZINC001330685858 956563572 /nfs/dbraw/zinc/56/35/72/956563572.db2.gz FLPVXOZZHQUZHI-BZUAXINKSA-N 2 0 293.455 1.613 10 0 CDAERP C[C@@H](CCC[NH2+]CCF)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001330914789 956700890 /nfs/dbraw/zinc/70/08/90/956700890.db2.gz HTDLMEXUHBZFRC-OLZOCXBDSA-N 2 0 273.396 1.172 10 0 CDAERP CC(C)CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C ZINC001423331234 956726985 /nfs/dbraw/zinc/72/69/85/956726985.db2.gz SOUDCHMYPCCXOW-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CC1CC1 ZINC001366480882 956864959 /nfs/dbraw/zinc/86/49/59/956864959.db2.gz XIEBVQHQJXEIRC-YDHLFZDLSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cncs1 ZINC001366508730 956891818 /nfs/dbraw/zinc/89/18/18/956891818.db2.gz MNIRJNBTKGZJLW-LBPRGKRZSA-N 2 0 296.440 1.223 10 0 CDAERP CC(C)[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001317012838 956924215 /nfs/dbraw/zinc/92/42/15/956924215.db2.gz LLYGWBNJKKCVSF-BNOWGMLFSA-N 2 0 267.417 1.219 10 0 CDAERP CN(CCC[NH2+]CCC1CC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001569257336 1169738520 /nfs/dbraw/zinc/73/85/20/1169738520.db2.gz CMRZGVHTJCDBEE-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001331407726 957029280 /nfs/dbraw/zinc/02/92/80/957029280.db2.gz SZZSYHDAXRWWHO-KBPBESRZSA-N 2 0 267.417 1.483 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C(C)C ZINC001366638353 957071461 /nfs/dbraw/zinc/07/14/61/957071461.db2.gz NVHJIAINTMGPKW-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[N@H+](C)CC1CC1 ZINC001316871734 957082719 /nfs/dbraw/zinc/08/27/19/957082719.db2.gz ZWIISERXMRJDBN-KBPBESRZSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H](F)CC[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)C1CC1 ZINC001366755803 957167868 /nfs/dbraw/zinc/16/78/68/957167868.db2.gz DEQBTBMJUVKUAX-UONOGXRCSA-N 2 0 299.434 1.657 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC(C)C ZINC001367001475 957329124 /nfs/dbraw/zinc/32/91/24/957329124.db2.gz WSSHQSKLGNBEDB-KKUMJFAQSA-N 2 0 299.434 1.607 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001317254355 957381795 /nfs/dbraw/zinc/38/17/95/957381795.db2.gz GPZSNMOXXLAMFY-QWHCGFSZSA-N 2 0 255.406 1.221 10 0 CDAERP CCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@@H+]([C@H](C)COC)C1 ZINC001367072017 957384698 /nfs/dbraw/zinc/38/46/98/957384698.db2.gz OOGAJWXCBOOSMV-HUUCEWRRSA-N 2 0 297.443 1.040 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)CC1CCCCC1 ZINC001425077372 957464292 /nfs/dbraw/zinc/46/42/92/957464292.db2.gz QFJWYXJYFDYWEV-GOEBONIOSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](F)CC[NH+]1CC([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001425265339 957502714 /nfs/dbraw/zinc/50/27/14/957502714.db2.gz ZWYQZMZHKHMPSO-NEPJUHHUSA-N 2 0 273.396 1.123 10 0 CDAERP CC(C)=CC[NH+]1CC(CNC(=O)CCCn2ccnc2)C1 ZINC001494635072 972273442 /nfs/dbraw/zinc/27/34/42/972273442.db2.gz DFCDBOKUUGPPDD-UHFFFAOYSA-N 2 0 290.411 1.678 10 0 CDAERP C[C@@H]1COCCN1CC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC001332419272 957555416 /nfs/dbraw/zinc/55/54/16/957555416.db2.gz BRGWZBJPCOOZOJ-MCIONIFRSA-N 2 0 269.433 1.203 10 0 CDAERP CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001425584461 957574938 /nfs/dbraw/zinc/57/49/38/957574938.db2.gz XXIKRZKMDFEFQB-ZFWWWQNUSA-N 2 0 281.444 1.850 10 0 CDAERP CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1cnc(C)o1)[NH+](C)C ZINC001425661262 957593608 /nfs/dbraw/zinc/59/36/08/957593608.db2.gz RNFJGPBVBJMKNL-FZMZJTMJSA-N 2 0 296.415 1.260 10 0 CDAERP CC(C)CC[NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001317625095 957606723 /nfs/dbraw/zinc/60/67/23/957606723.db2.gz BLOFSFFMCWBAHX-AWEZNQCLSA-N 2 0 269.433 1.422 10 0 CDAERP CN(CC[NH2+]CCCF)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001317656151 957624792 /nfs/dbraw/zinc/62/47/92/957624792.db2.gz VHUXQWVKBAXHBY-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP CN(C(=O)CC[NH+](C)C)C1CC([NH2+]C/C=C\Cl)C1 ZINC001426220262 957849269 /nfs/dbraw/zinc/84/92/69/957849269.db2.gz VISGNFMATKAKTK-XQRVVYSFSA-N 2 0 273.808 1.270 10 0 CDAERP CCC[NH2+]C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001332882173 957913880 /nfs/dbraw/zinc/91/38/80/957913880.db2.gz RCZVFDUDZCSNML-KGLIPLIRSA-N 2 0 283.460 1.859 10 0 CDAERP CC[C@@H](C(=O)N(C)C1CC([NH2+]CCOC(C)C)C1)[NH+](C)C ZINC001333119307 958083286 /nfs/dbraw/zinc/08/32/86/958083286.db2.gz GGQFBUGEMLRXET-NRXISQOPSA-N 2 0 299.459 1.331 10 0 CDAERP O=C(NC1(C[NH2+]CCCF)CCCC1)C12CC[NH+](CC1)C2 ZINC001318664728 958219113 /nfs/dbraw/zinc/21/91/13/958219113.db2.gz OUIIYLLMPDBCDY-UHFFFAOYSA-N 2 0 297.418 1.460 10 0 CDAERP C[C@H](C[NH2+]C[C@@H]1CCOC1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001367695861 958222226 /nfs/dbraw/zinc/22/22/26/958222226.db2.gz UHGPJCAEQXUBBG-KGLIPLIRSA-N 2 0 299.459 1.095 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH2+]C(C)(C)C)[C@H](C)C1 ZINC001318688625 958232834 /nfs/dbraw/zinc/23/28/34/958232834.db2.gz LHXOGDRELPYLJS-CHWSQXEVSA-N 2 0 269.433 1.563 10 0 CDAERP CCC[NH2+]C[C@@](C)(NC(=O)CCc1c[nH]cn1)C1CC1 ZINC001318697696 958237016 /nfs/dbraw/zinc/23/70/16/958237016.db2.gz AKDUEFHCWKWPCB-OAHLLOKOSA-N 2 0 278.400 1.627 10 0 CDAERP CCC[NH2+]C[C@@](C)(NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001318711830 958240692 /nfs/dbraw/zinc/24/06/92/958240692.db2.gz ACNMLUGOPKCTHY-MRXNPFEDSA-N 2 0 281.444 1.613 10 0 CDAERP Cc1ccc(F)cc1C[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C ZINC001367753372 958305264 /nfs/dbraw/zinc/30/52/64/958305264.db2.gz OMTZQCRSSCXWHO-ZDUSSCGKSA-N 2 0 295.402 1.680 10 0 CDAERP CCCCC[NH2+]C[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001319270886 958470117 /nfs/dbraw/zinc/47/01/17/958470117.db2.gz TTWCQWKLFMCJHN-CQSZACIVSA-N 2 0 281.444 1.614 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]CC[C@@H](C)F ZINC001319592063 958642744 /nfs/dbraw/zinc/64/27/44/958642744.db2.gz GQGYPPCQWFZSPN-CHWSQXEVSA-N 2 0 275.412 1.511 10 0 CDAERP CCC[NH+]1CCC(C)(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001368128105 958652832 /nfs/dbraw/zinc/65/28/32/958652832.db2.gz QEMCVRPJICCWFN-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP COCCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001319818979 958739306 /nfs/dbraw/zinc/73/93/06/958739306.db2.gz IPNVUDNMUPIARH-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CCO1 ZINC001368506447 958904052 /nfs/dbraw/zinc/90/40/52/958904052.db2.gz BYGDSCTZSUUXCM-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CCCC[NH+](C)C ZINC001320171115 958985877 /nfs/dbraw/zinc/98/58/77/958985877.db2.gz KPUSTRBDZFZAPV-KBPBESRZSA-N 2 0 269.433 1.613 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]CCC2CC2)CC1 ZINC001368658408 959020274 /nfs/dbraw/zinc/02/02/74/959020274.db2.gz WCCXKJPWJCXTKK-OAHLLOKOSA-N 2 0 293.455 1.851 10 0 CDAERP CO[C@H](C)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001368678387 959035609 /nfs/dbraw/zinc/03/56/09/959035609.db2.gz ZPVUERWJJGSYDJ-ZIAGYGMSSA-N 2 0 299.459 1.190 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)[C@@H]21 ZINC001368692559 959045569 /nfs/dbraw/zinc/04/55/69/959045569.db2.gz GBIRHLAWUPGXCF-FVQBIDKESA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1CC ZINC001368697138 959051989 /nfs/dbraw/zinc/05/19/89/959051989.db2.gz FXNHNZMARZNJRR-MELADBBJSA-N 2 0 287.423 1.655 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCCCC[C@@H]([NH2+]C[C@@H](C)O)C1 ZINC001368749929 959101483 /nfs/dbraw/zinc/10/14/83/959101483.db2.gz PZNVIGGKBXVEPC-HUUCEWRRSA-N 2 0 299.459 1.070 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](NC(=O)C[N@@H+](C)C(C)C)C1CC1 ZINC001569329628 1169767860 /nfs/dbraw/zinc/76/78/60/1169767860.db2.gz QUEMWQJOBYTZIS-HNNXBMFYSA-N 2 0 281.444 1.777 10 0 CDAERP CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1CCC ZINC001369512464 959726013 /nfs/dbraw/zinc/72/60/13/959726013.db2.gz SKFNDGZNKIODHP-CABCVRRESA-N 2 0 299.459 1.022 10 0 CDAERP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)C1CC[NH+](CCF)CC1 ZINC001369559381 959758355 /nfs/dbraw/zinc/75/83/55/959758355.db2.gz HMHUBIFYTBVSGO-CYBMUJFWSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC/C=C/C[NH2+]Cc1cccnc1 ZINC001321418562 959774714 /nfs/dbraw/zinc/77/47/14/959774714.db2.gz DUXPKUSBLFTPGO-SNAWJCMRSA-N 2 0 290.411 1.184 10 0 CDAERP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCC(C)(C)C)C1)[NH+](C)C ZINC001370406565 960083843 /nfs/dbraw/zinc/08/38/43/960083843.db2.gz WKSYVBBMWFHTHF-KBPBESRZSA-N 2 0 283.460 1.953 10 0 CDAERP C[NH+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C/C=C/Cl ZINC001370583098 960150647 /nfs/dbraw/zinc/15/06/47/960150647.db2.gz MHMXCMJZMCSROZ-CRZJSOBUSA-N 2 0 299.846 1.802 10 0 CDAERP CCC[NH2+]CC[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001495389216 972485616 /nfs/dbraw/zinc/48/56/16/972485616.db2.gz WINMBKHKIYSQOF-CVEARBPZSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1ccccn1 ZINC001371361039 972486726 /nfs/dbraw/zinc/48/67/26/972486726.db2.gz FYNQGVRLAJPLAO-KBPBESRZSA-N 2 0 290.411 1.018 10 0 CDAERP Cc1ncc(C[NH2+]CCCN(C)C(=O)C[NH+]2CCCC2)o1 ZINC001322835850 960337387 /nfs/dbraw/zinc/33/73/87/960337387.db2.gz OUISORHSFJNMJK-UHFFFAOYSA-N 2 0 294.399 1.017 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CCC[NH2+]CCCF ZINC001322843834 960340119 /nfs/dbraw/zinc/34/01/19/960340119.db2.gz KKXOLABROFFPPT-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001433744276 960574012 /nfs/dbraw/zinc/57/40/12/960574012.db2.gz CAXGATMQGOSWLX-ARFHVFGLSA-N 2 0 295.471 1.907 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C1([NH+](C)C)CCCC1 ZINC001433790921 960618041 /nfs/dbraw/zinc/61/80/41/960618041.db2.gz HPWQOPVZKNIBDP-TZMCWYRMSA-N 2 0 279.428 1.460 10 0 CDAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001418619136 960810706 /nfs/dbraw/zinc/81/07/06/960810706.db2.gz KNSUMLJFNZPJGC-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001418706990 960925770 /nfs/dbraw/zinc/92/57/70/960925770.db2.gz XUXNMPGZTVYLGS-AJNGGQMLSA-N 2 0 299.434 1.561 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)C1 ZINC001418714449 960938550 /nfs/dbraw/zinc/93/85/50/960938550.db2.gz RQWQMSGJKLOZDO-KBMXLJTQSA-N 2 0 279.428 1.128 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2C[N@@H+]1CCF ZINC001418745042 960969653 /nfs/dbraw/zinc/96/96/53/960969653.db2.gz GYDSQEFXRXLTNR-XGUBFFRZSA-N 2 0 297.418 1.076 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)C1 ZINC001434303156 961147353 /nfs/dbraw/zinc/14/73/53/961147353.db2.gz MBGXTTGBOWRJLS-JONQDZQNSA-N 2 0 293.455 1.659 10 0 CDAERP C[NH+](C)C1(C(=O)N2CCC[C@H]2C[NH2+]C/C=C\Cl)CCC1 ZINC001324174894 961215081 /nfs/dbraw/zinc/21/50/81/961215081.db2.gz JZLGIQKWIMRNLT-QGOGUYACSA-N 2 0 299.846 1.804 10 0 CDAERP C[N@H+](C[C@H](O)CN1CCC[C@H](c2ccncn2)C1)C1CC1 ZINC001434456499 961430997 /nfs/dbraw/zinc/43/09/97/961430997.db2.gz DMNFRHKLZKPFPP-ZFWWWQNUSA-N 2 0 290.411 1.111 10 0 CDAERP CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)[NH2+]CCF ZINC001419268021 961567780 /nfs/dbraw/zinc/56/77/80/961567780.db2.gz GTHIESRDOWFCRC-ZIAGYGMSSA-N 2 0 287.423 1.561 10 0 CDAERP C[N@H+](CCCF)C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001419344140 961621845 /nfs/dbraw/zinc/62/18/45/961621845.db2.gz JYDPTWPBMQDYET-HNNXBMFYSA-N 2 0 299.434 1.612 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001419406540 961665982 /nfs/dbraw/zinc/66/59/82/961665982.db2.gz NFDKGLVYGNHCLM-FDYHWXHSSA-N 2 0 273.396 1.312 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001419477418 961749273 /nfs/dbraw/zinc/74/92/73/961749273.db2.gz ZGZDAQNEPPTIMW-DWGPDOSJSA-N 2 0 299.846 1.850 10 0 CDAERP CC(C)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001419785191 962105716 /nfs/dbraw/zinc/10/57/16/962105716.db2.gz AXENCDFQHHMJMC-GJZGRUSLSA-N 2 0 283.460 1.715 10 0 CDAERP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1 ZINC001419897810 962213478 /nfs/dbraw/zinc/21/34/78/962213478.db2.gz MCBSUYSRIRTCRP-GOEBONIOSA-N 2 0 289.423 1.623 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H](C[NH2+]C(C)C)C1 ZINC001419986983 962335660 /nfs/dbraw/zinc/33/56/60/962335660.db2.gz JMYDIFNFVZZOJJ-KGLIPLIRSA-N 2 0 287.423 1.513 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001420010776 962367280 /nfs/dbraw/zinc/36/72/80/962367280.db2.gz FLOAYONGCITXJT-CYBMUJFWSA-N 2 0 287.423 1.467 10 0 CDAERP CC[NH2+][C@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC001436807039 962430120 /nfs/dbraw/zinc/43/01/20/962430120.db2.gz MSTQBZICDXTSFY-CJNGLKHVSA-N 2 0 299.434 1.703 10 0 CDAERP CO[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001436956420 962525195 /nfs/dbraw/zinc/52/51/95/962525195.db2.gz VJTXWLYFMQODPT-XQLPTFJDSA-N 2 0 297.443 1.133 10 0 CDAERP Cc1nsc(C)c1C[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C ZINC001420465584 962939895 /nfs/dbraw/zinc/93/98/95/962939895.db2.gz XGYNMFYWXJKBQP-JTQLQIEISA-N 2 0 298.456 1.306 10 0 CDAERP CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001420584611 963096585 /nfs/dbraw/zinc/09/65/85/963096585.db2.gz WHNTWLXIAYFNFI-XHSDSOJGSA-N 2 0 293.455 1.802 10 0 CDAERP CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001420584606 963098046 /nfs/dbraw/zinc/09/80/46/963098046.db2.gz WHNTWLXIAYFNFI-OAGGEKHMSA-N 2 0 293.455 1.802 10 0 CDAERP CC(C)CCC[NH+]1CC(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001438161809 963347085 /nfs/dbraw/zinc/34/70/85/963347085.db2.gz QMSXQGHUHURPBI-OAHLLOKOSA-N 2 0 295.471 1.812 10 0 CDAERP CC[C@H](F)C[NH2+]C1(CNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001420990095 963407061 /nfs/dbraw/zinc/40/70/61/963407061.db2.gz JAQJEHKIQAWCIO-AWEZNQCLSA-N 2 0 299.434 1.705 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1([NH2+]CCF)CC1 ZINC001421007512 963413008 /nfs/dbraw/zinc/41/30/08/963413008.db2.gz VMWKVVTVNPJVBY-VXGBXAGGSA-N 2 0 271.380 1.067 10 0 CDAERP COC[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001438444528 963449946 /nfs/dbraw/zinc/44/99/46/963449946.db2.gz FGLHYFQFBAJIOH-KKUMJFAQSA-N 2 0 299.459 1.379 10 0 CDAERP Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+](C)C)cc1 ZINC001438675346 963522312 /nfs/dbraw/zinc/52/23/12/963522312.db2.gz QOWREZQWRWZCJI-OAHLLOKOSA-N 2 0 291.439 1.883 10 0 CDAERP CCC[N@@H+]1CCC[C@](C)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001421294522 963538735 /nfs/dbraw/zinc/53/87/35/963538735.db2.gz WHVMKWAYUURPHI-DOTOQJQBSA-N 2 0 295.471 1.957 10 0 CDAERP CC[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CCF ZINC001421423719 963603198 /nfs/dbraw/zinc/60/31/98/963603198.db2.gz WSEXJHNYCBWYDW-CYBMUJFWSA-N 2 0 285.407 1.316 10 0 CDAERP CC[C@H](F)C[N@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001439334878 963726784 /nfs/dbraw/zinc/72/67/84/963726784.db2.gz XUNVLEWNKQPTAX-OLZOCXBDSA-N 2 0 287.423 1.655 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1CCC(C)(C)C ZINC001439571516 963804877 /nfs/dbraw/zinc/80/48/77/963804877.db2.gz ZYZCQTZHGGEBLZ-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CCC1 ZINC001440312440 963981286 /nfs/dbraw/zinc/98/12/86/963981286.db2.gz IEGYGBCDTYZIGK-KBPBESRZSA-N 2 0 279.428 1.652 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cncs2)C1 ZINC001441364783 964474699 /nfs/dbraw/zinc/47/46/99/964474699.db2.gz BYXOFBGPLLTJIW-HAQNSBGRSA-N 2 0 296.440 1.079 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCF)C1)[NH+](CC)CC ZINC001441504592 964555609 /nfs/dbraw/zinc/55/56/09/964555609.db2.gz HTLMLUVWHHWROZ-FRRDWIJNSA-N 2 0 273.396 1.313 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCF)C1)[NH+](CC)CC ZINC001441504596 964558688 /nfs/dbraw/zinc/55/86/88/964558688.db2.gz HTLMLUVWHHWROZ-XQQFMLRXSA-N 2 0 273.396 1.313 10 0 CDAERP CC(C)CC[NH2+][C@H](C)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001441604393 964611329 /nfs/dbraw/zinc/61/13/29/964611329.db2.gz ZVGBLHVUFHSMAN-CQSZACIVSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)[N@H+](CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)C1CC1 ZINC001443011464 965319438 /nfs/dbraw/zinc/31/94/38/965319438.db2.gz BJAKFXWHCMLICV-GDBMZVCRSA-N 2 0 293.455 1.992 10 0 CDAERP Cc1nc[nH]c1CC(=O)NCC[N@@H+](CCC(C)C)C1CC1 ZINC001443050216 965334928 /nfs/dbraw/zinc/33/49/28/965334928.db2.gz NYQOFRSOHYYQSB-UHFFFAOYSA-N 2 0 292.427 1.887 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC001443202564 965392072 /nfs/dbraw/zinc/39/20/72/965392072.db2.gz KTSQXGZJMFYVPG-ZIAGYGMSSA-N 2 0 269.433 1.517 10 0 CDAERP C[N@H+](CCF)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001443323623 965437692 /nfs/dbraw/zinc/43/76/92/965437692.db2.gz GQIVDAMPDHIJBD-KGLIPLIRSA-N 2 0 285.407 1.221 10 0 CDAERP CN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001443332138 965445203 /nfs/dbraw/zinc/44/52/03/965445203.db2.gz GYZHUUMCHZLIQW-OAGGEKHMSA-N 2 0 293.455 1.659 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)C1([NH+](C)C)CCCC1 ZINC001445156001 966119956 /nfs/dbraw/zinc/11/99/56/966119956.db2.gz OMKHZULCPHWAFE-UHFFFAOYSA-N 2 0 269.433 1.709 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+]Cc1cncc(F)c1 ZINC001445634400 966262486 /nfs/dbraw/zinc/26/24/86/966262486.db2.gz URLHUVOHAFTGSS-LBPRGKRZSA-N 2 0 296.390 1.157 10 0 CDAERP C[C@@H](C[N@H+](C)CC1CCC1)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001445859812 966369863 /nfs/dbraw/zinc/36/98/63/966369863.db2.gz YNOHZGSBZBHXIZ-DZGCQCFKSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@H+](C)Cc1ccccn1 ZINC001445876776 966374235 /nfs/dbraw/zinc/37/42/35/966374235.db2.gz UOITVRMPOIRVIM-AWEZNQCLSA-N 2 0 292.427 1.358 10 0 CDAERP O=C(N[C@@H](C[NH2+]CC1CCC1)C1CC1)C12CC[NH+](CC1)C2 ZINC001445998617 966411123 /nfs/dbraw/zinc/41/11/23/966411123.db2.gz ZYPLZSQGKUCMLI-HNNXBMFYSA-N 2 0 291.439 1.367 10 0 CDAERP CC(C)(C(=O)NC[C@@H]1CC[N@@H+]1CC1CCC1)[NH+]1CCCC1 ZINC001446077100 966441915 /nfs/dbraw/zinc/44/19/15/966441915.db2.gz UHONBUNXULZDMD-HNNXBMFYSA-N 2 0 293.455 1.851 10 0 CDAERP CCCC[N@@H+]1CC[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001446120506 966454839 /nfs/dbraw/zinc/45/48/39/966454839.db2.gz ZUJLILVINMFZOS-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)CC[NH2+][C@H](C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001447930458 966930859 /nfs/dbraw/zinc/93/08/59/966930859.db2.gz NAIFSSHUPBSHAA-ZIAGYGMSSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC001448807612 967264612 /nfs/dbraw/zinc/26/46/12/967264612.db2.gz VQAWKSRZRIUNBF-CQSZACIVSA-N 2 0 283.460 1.812 10 0 CDAERP CCN1CC[C@@H]1C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC001544080530 967336118 /nfs/dbraw/zinc/33/61/18/967336118.db2.gz SYCNMXPHEDPPCN-MGPQQGTHSA-N 2 0 267.417 1.460 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N(C)C(C)(C)C[NH+]1CCCC1 ZINC001451854683 968017424 /nfs/dbraw/zinc/01/74/24/968017424.db2.gz ADMMUPHRVAJPMM-AWEZNQCLSA-N 2 0 283.460 1.907 10 0 CDAERP Cc1ccc([C@H](O)C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000848676832 969232312 /nfs/dbraw/zinc/23/23/12/969232312.db2.gz SUPPYJUVKHAQOA-VNQPRFMTSA-N 2 0 262.397 1.958 10 0 CDAERP C[C@H]1CN(C(=[NH2+])NCCC[NH+]2CCCCCC2)CCO1 ZINC000848981577 969377706 /nfs/dbraw/zinc/37/77/06/969377706.db2.gz VVAPCWTWDNNNRK-AWEZNQCLSA-N 2 0 282.432 1.498 10 0 CDAERP C[N@@H+]1C[C@@H](CNC(=[NH2+])N2CCC2)[C@H](c2ccccc2)C1 ZINC000849045748 969429628 /nfs/dbraw/zinc/42/96/28/969429628.db2.gz FHXJPRWNIBRMJP-CABCVRRESA-N 2 0 272.396 1.562 10 0 CDAERP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](C)CN2CCOCC2)C1 ZINC001459609194 969439782 /nfs/dbraw/zinc/43/97/82/969439782.db2.gz NCILALZLMBKDSY-IAGOWNOFSA-N 2 0 297.487 1.618 10 0 CDAERP CO[C@H]1CC[C@H]([NH+]2CCC(O)(C[NH+]3CCCCC3)CC2)C1 ZINC001460935982 969567795 /nfs/dbraw/zinc/56/77/95/969567795.db2.gz ATPZUZNPGXDKFW-HOTGVXAUSA-N 2 0 296.455 1.867 10 0 CDAERP CC[NH+](CC)CCCNC(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001463582445 969742242 /nfs/dbraw/zinc/74/22/42/969742242.db2.gz GWEJZMMOEMWLKL-CYBMUJFWSA-N 2 0 273.396 1.268 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)C1 ZINC001469333633 970240863 /nfs/dbraw/zinc/24/08/63/970240863.db2.gz RAXXNJKKFCDLPN-SOUVJXGZSA-N 2 0 295.471 1.952 10 0 CDAERP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H](C)CC[NH+](C)C ZINC001470105298 970289359 /nfs/dbraw/zinc/28/93/59/970289359.db2.gz GMSXFHBIKIZOKT-GJZGRUSLSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C[NH+]1CCCC1 ZINC001472330981 970621834 /nfs/dbraw/zinc/62/18/34/970621834.db2.gz MTSGEKMRAHTURN-CVEARBPZSA-N 2 0 293.455 1.804 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ocnc2C)C1 ZINC001371539440 972542297 /nfs/dbraw/zinc/54/22/97/972542297.db2.gz RHOOTIGKUBHEIU-ZDUSSCGKSA-N 2 0 294.399 1.015 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]C/C=C/Cl)C1 ZINC001371635817 972572060 /nfs/dbraw/zinc/57/20/60/972572060.db2.gz LTVGGCWCQNRXIK-JDRGJFMNSA-N 2 0 287.835 1.708 10 0 CDAERP CCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001495667524 972587851 /nfs/dbraw/zinc/58/78/51/972587851.db2.gz IXEKLPHRFGABCQ-JHJVBQTASA-N 2 0 255.406 1.079 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@H](C)C[NH2+]C(C)C)C1 ZINC001496144859 972816239 /nfs/dbraw/zinc/81/62/39/972816239.db2.gz JKECHPLSAFQVHP-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP COCC[NH2+]C[C@@H](C)N(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001496198606 972836725 /nfs/dbraw/zinc/83/67/25/972836725.db2.gz SKVZTCYDFONNIG-CQSZACIVSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@H](C[NH2+]CC1CCC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001496228871 972847894 /nfs/dbraw/zinc/84/78/94/972847894.db2.gz DGYHTVIOGFYNJM-TZMCWYRMSA-N 2 0 267.417 1.175 10 0 CDAERP CC[C@@H](C(=O)N[C@]1(C)CC[N@H+](CCCCOC)C1)[NH+](C)C ZINC001569651798 1169953261 /nfs/dbraw/zinc/95/32/61/1169953261.db2.gz WHBITBBBOYLVBS-GOEBONIOSA-N 2 0 299.459 1.334 10 0 CDAERP CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH]cn1 ZINC001496415448 972914532 /nfs/dbraw/zinc/91/45/32/972914532.db2.gz GHFUDUWUBVSYTG-UKRRQHHQSA-N 2 0 292.427 1.969 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CCC[NH+]1CCCF ZINC001372521456 972997036 /nfs/dbraw/zinc/99/70/36/972997036.db2.gz JXQHMSDUKAKAOR-GJZGRUSLSA-N 2 0 299.434 1.801 10 0 CDAERP CCC[NH2+][C@@H](C)C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001373007136 973222538 /nfs/dbraw/zinc/22/25/38/973222538.db2.gz LOXSRGBEXAXSLC-GJZGRUSLSA-N 2 0 295.471 1.955 10 0 CDAERP CCN(CC[NH2+]CCF)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001497407777 973335905 /nfs/dbraw/zinc/33/59/05/973335905.db2.gz OBUYWZSRWRZADE-KBPBESRZSA-N 2 0 285.407 1.411 10 0 CDAERP CC1CC(C[N@@H+]2CC[C@@H]2CN(C)C(=O)CC[NH+](C)C)C1 ZINC001417754756 973362738 /nfs/dbraw/zinc/36/27/38/973362738.db2.gz OQIDDHUEWYCVDF-YMAMQOFZSA-N 2 0 281.444 1.517 10 0 CDAERP CC(C)[NH2+]C/C=C/CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001497603420 973428774 /nfs/dbraw/zinc/42/87/74/973428774.db2.gz XETDNAXIXXLHBL-ISZGNANSSA-N 2 0 267.417 1.531 10 0 CDAERP C[C@H](F)CC[NH2+]C/C=C/CNC(=O)CC1CC[NH+](C)CC1 ZINC001497690575 973466772 /nfs/dbraw/zinc/46/67/72/973466772.db2.gz HBGDLTWWAIONRV-XGACYXMMSA-N 2 0 299.434 1.728 10 0 CDAERP Cc1csc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001497797743 973515220 /nfs/dbraw/zinc/51/52/20/973515220.db2.gz JGKDXDVOFJDFMM-PWSUYJOCSA-N 2 0 296.440 1.140 10 0 CDAERP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ocnc1C ZINC001373826688 973656883 /nfs/dbraw/zinc/65/68/83/973656883.db2.gz VBJROPUOBLKHLU-ZDUSSCGKSA-N 2 0 294.399 1.063 10 0 CDAERP C[C@@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)CCC[NH+](C)C ZINC001498098612 973679878 /nfs/dbraw/zinc/67/98/78/973679878.db2.gz LGFQLGQIOCGTOU-ZDUSSCGKSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCC(C)(C)C ZINC001418230109 973683137 /nfs/dbraw/zinc/68/31/37/973683137.db2.gz XWXRFCXOSPQWCS-BFHYXJOUSA-N 2 0 283.460 1.857 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)[NH2+]CCc1ccccc1)[NH+](C)C ZINC001418238955 973690193 /nfs/dbraw/zinc/69/01/93/973690193.db2.gz UABFGQOYDUEVEL-GOEBONIOSA-N 2 0 291.439 1.664 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCC2([NH2+]CCF)CCCC2)CC[N@@H+]1C ZINC001374176298 973805077 /nfs/dbraw/zinc/80/50/77/973805077.db2.gz QRZMGCUAKXQXIX-KBPBESRZSA-N 2 0 299.434 1.705 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001374521811 973999037 /nfs/dbraw/zinc/99/90/37/973999037.db2.gz ZVPNBLWPBXVGTC-QWHCGFSZSA-N 2 0 273.396 1.219 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]CC1CCCC1)C1CC1 ZINC001498815978 974068078 /nfs/dbraw/zinc/06/80/78/974068078.db2.gz FQQOYAYGKCJXMY-HNNXBMFYSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@H](F)C[N@H+](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001375050998 974243139 /nfs/dbraw/zinc/24/31/39/974243139.db2.gz ACSWPFCLMARRRL-STQMWFEESA-N 2 0 287.423 1.655 10 0 CDAERP CCC(CC)C[N@H+](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001375133325 974273128 /nfs/dbraw/zinc/27/31/28/974273128.db2.gz DAIWCVVWZIKECW-CQSZACIVSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](C[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)C(C)C)OC ZINC001375471546 974396735 /nfs/dbraw/zinc/39/67/35/974396735.db2.gz LGDUONODVNISDW-LSDHHAIUSA-N 2 0 299.459 1.284 10 0 CDAERP CCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001500367530 974428466 /nfs/dbraw/zinc/42/84/66/974428466.db2.gz HVSBCBZGCKXBHA-GDBMZVCRSA-N 2 0 281.444 1.709 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CC[C@@H]([NH2+]CCF)C1 ZINC001375576388 974429008 /nfs/dbraw/zinc/42/90/08/974429008.db2.gz LSVVQPFOISKDSR-RRFJBIMHSA-N 2 0 299.434 1.705 10 0 CDAERP CN(C(=O)CCC[NH+]1CCCC1)C1C[NH+](CCC2CC2)C1 ZINC001375723362 974464934 /nfs/dbraw/zinc/46/49/34/974464934.db2.gz GYFLFPKGRPALBN-UHFFFAOYSA-N 2 0 293.455 1.805 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]C/C=C/Cl)C1 ZINC001376350656 974637250 /nfs/dbraw/zinc/63/72/50/974637250.db2.gz BCPYZLINSWYDIJ-VTDTZARESA-N 2 0 299.846 1.804 10 0 CDAERP CCC[NH2+]C[C@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)CCO1 ZINC001502077633 974688784 /nfs/dbraw/zinc/68/87/84/974688784.db2.gz ZIBKVEACLKJPGA-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP CC[C@H](F)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001376658067 974705952 /nfs/dbraw/zinc/70/59/52/974705952.db2.gz SDBKRNJIFCXIMX-VQJWOFKYSA-N 2 0 299.434 1.367 10 0 CDAERP C[C@H](CNC(=O)CCC[NH+](C)C)[NH2+]CCC(C)(C)C ZINC001376805919 974777067 /nfs/dbraw/zinc/77/70/67/974777067.db2.gz QZHMFNCYCDBPIV-CYBMUJFWSA-N 2 0 271.449 1.859 10 0 CDAERP CC(C)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001376822426 974784672 /nfs/dbraw/zinc/78/46/72/974784672.db2.gz JMDUSHPPNQQELU-CABCVRRESA-N 2 0 283.460 2.000 10 0 CDAERP CC(C)CC[N@H+](C)CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001377259510 974948140 /nfs/dbraw/zinc/94/81/40/974948140.db2.gz CCSNPOYFJVHBOC-OAHLLOKOSA-N 2 0 299.459 1.049 10 0 CDAERP C[C@@H]([NH2+]Cc1ccns1)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001505754388 974982233 /nfs/dbraw/zinc/98/22/33/974982233.db2.gz RTGQYDZCDVLEJQ-NEPJUHHUSA-N 2 0 296.440 1.222 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C[C@H](C)OC ZINC001377344315 974982612 /nfs/dbraw/zinc/98/26/12/974982612.db2.gz VLDYHPGFLAYXIW-KKUMJFAQSA-N 2 0 299.459 1.190 10 0 CDAERP CCC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)CC(C)C ZINC001377502889 975053530 /nfs/dbraw/zinc/05/35/30/975053530.db2.gz RSMDDSHPBUHUBU-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP C[N@H+](CCF)CC1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001377788717 975140633 /nfs/dbraw/zinc/14/06/33/975140633.db2.gz LLXPPFHEXKTDOE-HNNXBMFYSA-N 2 0 299.434 1.468 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCCCC[NH+]2CCF)C1 ZINC001506577932 975181405 /nfs/dbraw/zinc/18/14/05/975181405.db2.gz DPWWFSGXRJROJU-GJZGRUSLSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)[N@@H+]1CCCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001506867065 975237338 /nfs/dbraw/zinc/23/73/38/975237338.db2.gz UHZHXOHPJDJNPD-UHFFFAOYSA-N 2 0 267.417 1.271 10 0 CDAERP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H](C[NH2+]CC1CCC1)C1CC1 ZINC001507003786 975291601 /nfs/dbraw/zinc/29/16/01/975291601.db2.gz YJYUXLHXQOFQPW-JKSUJKDBSA-N 2 0 293.455 1.707 10 0 CDAERP C[C@H]1[C@H]([NH2+]Cc2ccns2)CCN1C(=O)CC[NH+](C)C ZINC001507291853 975400656 /nfs/dbraw/zinc/40/06/56/975400656.db2.gz YDBWLNUQVQBIEO-WCQYABFASA-N 2 0 296.440 1.174 10 0 CDAERP COCC[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001507324661 975415214 /nfs/dbraw/zinc/41/52/14/975415214.db2.gz CIMUQTFYVCJNBF-KBPBESRZSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)[NH2+]C[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001378631660 975423829 /nfs/dbraw/zinc/42/38/29/975423829.db2.gz HMCTYHJQGCXINE-HUUCEWRRSA-N 2 0 283.460 1.857 10 0 CDAERP C[C@H](C[NH2+]CC1CCCC1)N(C)C(=O)CCC[NH+](C)C ZINC001401235265 975520192 /nfs/dbraw/zinc/52/01/92/975520192.db2.gz DORTUZKGTDZOEW-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001388640404 975530460 /nfs/dbraw/zinc/53/04/60/975530460.db2.gz GCTSBTHSKZFHBU-AWEZNQCLSA-N 2 0 281.444 1.804 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CC3)C2)C1 ZINC001388761617 975584792 /nfs/dbraw/zinc/58/47/92/975584792.db2.gz WLXLZMUJPGZRPP-HRCADAONSA-N 2 0 293.455 1.613 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001401383088 975633831 /nfs/dbraw/zinc/63/38/31/975633831.db2.gz KOWWYFAQAZSZHZ-ZIAGYGMSSA-N 2 0 287.423 1.467 10 0 CDAERP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cncs1 ZINC001405345636 975720531 /nfs/dbraw/zinc/72/05/31/975720531.db2.gz NSWNMLVXCNXPCX-GFCCVEGCSA-N 2 0 296.440 1.223 10 0 CDAERP Cc1ccccc1C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001401676314 975787684 /nfs/dbraw/zinc/78/76/84/975787684.db2.gz UDIDTSQMHZYQOW-HOCLYGCPSA-N 2 0 289.423 1.684 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1CCc1ccccc1 ZINC001401907607 975992853 /nfs/dbraw/zinc/99/28/53/975992853.db2.gz ULAULMQJCRGLJZ-MRXNPFEDSA-N 2 0 289.423 1.371 10 0 CDAERP CC(C)[NH2+][C@@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)C(C)C ZINC001406066867 975993545 /nfs/dbraw/zinc/99/35/45/975993545.db2.gz IHSWAFKBQZMODJ-GJZGRUSLSA-N 2 0 299.459 1.094 10 0 CDAERP CC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CC1(C)C ZINC001379732092 976039080 /nfs/dbraw/zinc/03/90/80/976039080.db2.gz YOUJAYCPDAJQNV-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CCC(F)(F)F)C1 ZINC001389989262 976077513 /nfs/dbraw/zinc/07/75/13/976077513.db2.gz NFTOQUSIQHKJKE-AOOOYVTPSA-N 2 0 281.322 1.127 10 0 CDAERP CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001398696769 976113653 /nfs/dbraw/zinc/11/36/53/976113653.db2.gz RNGVWHLYEWFSLP-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001398747273 976136714 /nfs/dbraw/zinc/13/67/14/976136714.db2.gz UECRONRRVNWSTA-GJZGRUSLSA-N 2 0 283.460 1.812 10 0 CDAERP CC(C)[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001402156785 976153803 /nfs/dbraw/zinc/15/38/03/976153803.db2.gz DBBYHJLAKAUABS-ZBFHGGJFSA-N 2 0 281.444 1.707 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CC[NH+]1CCCF ZINC001379989328 976169029 /nfs/dbraw/zinc/16/90/29/976169029.db2.gz XNDLDFIZLIRGEC-UONOGXRCSA-N 2 0 285.407 1.411 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CCCC1 ZINC001380313632 976345016 /nfs/dbraw/zinc/34/50/16/976345016.db2.gz GZBBOSKHOGIYFP-JKSUJKDBSA-N 2 0 293.455 1.613 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CCC1 ZINC001402594023 976381310 /nfs/dbraw/zinc/38/13/10/976381310.db2.gz WFWXNCQGPIEVAR-CYBMUJFWSA-N 2 0 297.418 1.459 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]C/C=C/Cl)C2)CC[N@@H+]1C ZINC001402589684 976381801 /nfs/dbraw/zinc/38/18/01/976381801.db2.gz DGBOVKBTMDLUSN-GLJYKRHASA-N 2 0 299.846 1.706 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001406878064 976453309 /nfs/dbraw/zinc/45/33/09/976453309.db2.gz MQHNKWURUSKOND-MRXNPFEDSA-N 2 0 295.471 1.955 10 0 CDAERP Cc1cc(C[NH2+][C@H](C)CCNC(=O)C[N@H+](C)C(C)C)no1 ZINC001390726199 976458261 /nfs/dbraw/zinc/45/82/61/976458261.db2.gz LLICFWKBLVZQQJ-GFCCVEGCSA-N 2 0 296.415 1.308 10 0 CDAERP C[NH+](C)CCC(=O)N1CCCC[C@H]1[C@H]1CC[N@H+](CCF)C1 ZINC001406998508 976509324 /nfs/dbraw/zinc/50/93/24/976509324.db2.gz JARIIVLIZFHHTL-GJZGRUSLSA-N 2 0 299.434 1.611 10 0 CDAERP CC(C)[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001406999743 976510161 /nfs/dbraw/zinc/51/01/61/976510161.db2.gz BKJWEOPFPDYIPK-CQSZACIVSA-N 2 0 281.444 1.754 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001407036887 976521825 /nfs/dbraw/zinc/52/18/25/976521825.db2.gz XWTBVUHFNGFEDM-WBVHZDCISA-N 2 0 295.471 1.909 10 0 CDAERP Cc1ccc(C[N@@H+](C)CCNC(=O)CC[NH+](C)C)c(C)n1 ZINC001390811911 976529138 /nfs/dbraw/zinc/52/91/38/976529138.db2.gz NTTJTPRBLVNLEM-UHFFFAOYSA-N 2 0 292.427 1.198 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H]2C[N@H+](CC3CCC3)C[C@H]21 ZINC001380786734 976549207 /nfs/dbraw/zinc/54/92/07/976549207.db2.gz DEVULAGQCIMEKX-JKSUJKDBSA-N 2 0 293.455 1.661 10 0 CDAERP CCCC[NH+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001380803983 976554160 /nfs/dbraw/zinc/55/41/60/976554160.db2.gz PQYOQUNCBVRBAV-UHFFFAOYSA-N 2 0 281.444 1.663 10 0 CDAERP C[N@H+](CCNC(=O)[C@@]12CC[NH+](C1)CCC2)CC1CCCC1 ZINC001390849893 976561538 /nfs/dbraw/zinc/56/15/38/976561538.db2.gz HXXCNNLGHNGROF-KRWDZBQOSA-N 2 0 293.455 1.711 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001407177453 976591807 /nfs/dbraw/zinc/59/18/07/976591807.db2.gz HYTQHYCQUCSSBB-GOEBONIOSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@H](C)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001380935279 976612905 /nfs/dbraw/zinc/61/29/05/976612905.db2.gz SNYUXSPBBLRARD-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CC[NH+]1CCC(C)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001407253180 976617056 /nfs/dbraw/zinc/61/70/56/976617056.db2.gz CWGPVKPIHJIXCW-GJZGRUSLSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC[N@@H+](C)CC2CCC2)C1 ZINC001399648222 976621569 /nfs/dbraw/zinc/62/15/69/976621569.db2.gz XFRZEZKPAFWQLP-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]1CCOC1 ZINC001399748027 976666945 /nfs/dbraw/zinc/66/69/45/976666945.db2.gz DGJJEGHLSNXVGD-LSDHHAIUSA-N 2 0 299.459 1.047 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC001391107822 976693113 /nfs/dbraw/zinc/69/31/13/976693113.db2.gz BJFCAWFXILFWJG-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccsc1 ZINC001403092447 976703275 /nfs/dbraw/zinc/70/32/75/976703275.db2.gz YFAFFMUNBGSDRK-GFCCVEGCSA-N 2 0 293.436 1.438 10 0 CDAERP CC(C)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001403131323 976747628 /nfs/dbraw/zinc/74/76/28/976747628.db2.gz VFKXAVRDZNRUSZ-HIFRSBDPSA-N 2 0 281.444 1.421 10 0 CDAERP Cc1cncc(C[NH2+][C@H](C)CNC(=O)C[N@H+](C)C(C)C)c1 ZINC001403167779 976777875 /nfs/dbraw/zinc/77/78/75/976777875.db2.gz OBKYFUWXAQNYBA-CQSZACIVSA-N 2 0 292.427 1.325 10 0 CDAERP C[C@H](CNC(=O)CCC[NH+](C)C)[N@H+](C)CC1CCCC1 ZINC001403170746 976783334 /nfs/dbraw/zinc/78/33/34/976783334.db2.gz AAOHTAIEYWNZGK-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001391382955 976850807 /nfs/dbraw/zinc/85/08/07/976850807.db2.gz VQOYRCYRPPASPZ-ZIAGYGMSSA-N 2 0 299.434 1.799 10 0 CDAERP CC[C@@H](C)C[NH2+]C1(C)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001408119659 976926620 /nfs/dbraw/zinc/92/66/20/976926620.db2.gz MVPFAASMNVXOGY-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCC(C)C)C1 ZINC001391594163 976979524 /nfs/dbraw/zinc/97/95/24/976979524.db2.gz SUJLGZLASVRRFG-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CC[C@@H]1CCCCO1 ZINC001403590914 977089607 /nfs/dbraw/zinc/08/96/07/977089607.db2.gz AWOSHLOVNLCNEA-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP CC[C@@H](C(=O)N[C@@]12CCC[C@@H]1[N@H+](CCOC)CC2)[NH+](C)C ZINC001382325933 977252343 /nfs/dbraw/zinc/25/23/43/977252343.db2.gz CSPJCBGHWRIVOE-OFQRWUPVSA-N 2 0 297.443 1.086 10 0 CDAERP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC1(C)C ZINC001382391051 977270964 /nfs/dbraw/zinc/27/09/64/977270964.db2.gz VILQNSXFEPOALW-UONOGXRCSA-N 2 0 299.459 1.188 10 0 CDAERP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C1CC[NH+](CCF)CC1 ZINC001403978080 977293942 /nfs/dbraw/zinc/29/39/42/977293942.db2.gz VZWXFSXCZHFECU-CYBMUJFWSA-N 2 0 299.434 1.514 10 0 CDAERP CC1CC(C[N@@H+]2CCC[C@H]2CNC(=O)CC[NH+](C)C)C1 ZINC001403999390 977300449 /nfs/dbraw/zinc/30/04/49/977300449.db2.gz DCJTWHZPXNHUAJ-NRXISQOPSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001392316227 977404883 /nfs/dbraw/zinc/40/48/83/977404883.db2.gz AOBKBLNQPWNKSS-UONOGXRCSA-N 2 0 287.423 1.467 10 0 CDAERP C[C@H](C[NH2+]Cc1ccsc1)NC(=O)CCC[NH+](C)C ZINC001392503623 977463419 /nfs/dbraw/zinc/46/34/19/977463419.db2.gz AURLONBJRCZUOW-GFCCVEGCSA-N 2 0 283.441 1.684 10 0 CDAERP CC[C@@H](C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)OC ZINC001392588213 977496658 /nfs/dbraw/zinc/49/66/58/977496658.db2.gz VCHQRMQOVPIJIA-AJNGGQMLSA-N 2 0 299.459 1.236 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001393206471 977732965 /nfs/dbraw/zinc/73/29/65/977732965.db2.gz YZBWHHUZNRUOCA-INMHGKMJSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC(C)([NH2+]CCF)CC1 ZINC001393751248 977907486 /nfs/dbraw/zinc/90/74/86/977907486.db2.gz POAPVPINGTWBLX-UHFFFAOYSA-N 2 0 273.396 1.267 10 0 CDAERP Cc1cccnc1C[NH2+][C@H](C)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001393977803 977993968 /nfs/dbraw/zinc/99/39/68/977993968.db2.gz SOQCIAXIHBFPAC-ZIAGYGMSSA-N 2 0 292.427 1.325 10 0 CDAERP CC[C@H](F)C[N@H+](C)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001394100054 978065148 /nfs/dbraw/zinc/06/51/48/978065148.db2.gz FFULPXLPDAQVPL-OCCSQVGLSA-N 2 0 287.423 1.513 10 0 CDAERP CC[C@H](C)C[N@H+](C)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001394103920 978067840 /nfs/dbraw/zinc/06/78/40/978067840.db2.gz PQLNAYQRERKNHL-UONOGXRCSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001394224572 978109806 /nfs/dbraw/zinc/10/98/06/978109806.db2.gz ZRWFOVHXDSCXFW-ZBFHGGJFSA-N 2 0 295.471 1.953 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC(C)C ZINC001394494043 978181968 /nfs/dbraw/zinc/18/19/68/978181968.db2.gz AWJFJRTUPASETL-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H]([NH2+]CC1CC1)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001674722674 1173998233 /nfs/dbraw/zinc/99/82/33/1173998233.db2.gz QDZNNWGIFLJQEN-NEPJUHHUSA-N 2 0 267.417 1.221 10 0 CDAERP CCCn1cncc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000090205257 1174140365 /nfs/dbraw/zinc/14/03/65/1174140365.db2.gz PTPSHZAFPVXEJN-UHFFFAOYSA-N 2 0 250.390 1.725 10 0 CDAERP CC(C)C[NH2+]CCC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001675965758 1174170014 /nfs/dbraw/zinc/17/00/14/1174170014.db2.gz FBEIRDVFMJQDKK-AWEZNQCLSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCOC1CCC1 ZINC001676318207 1174207764 /nfs/dbraw/zinc/20/77/64/1174207764.db2.gz IVOWZWPRBAQTGR-UKRRQHHQSA-N 2 0 297.443 1.086 10 0 CDAERP CCOCCC[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001677019492 1174307432 /nfs/dbraw/zinc/30/74/32/1174307432.db2.gz XTBRAFAVKSJNGS-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP COCCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC1(C)C ZINC001677043718 1174309949 /nfs/dbraw/zinc/30/99/49/1174309949.db2.gz ULAJIEMPAGISQL-AWEZNQCLSA-N 2 0 299.459 1.190 10 0 CDAERP CO[C@H](C)C[NH2+]CC[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001570021132 1170060888 /nfs/dbraw/zinc/06/08/88/1170060888.db2.gz BZMNGAHUMPMASB-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@@H](CCC[NH2+]CCC1CC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001571324943 1170366990 /nfs/dbraw/zinc/36/69/90/1170366990.db2.gz QQFJQMFVUXEUBO-ZFWWWQNUSA-N 2 0 281.444 1.613 10 0 CDAERP C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)NCC[NH+]3CCCCC3)[C@H]2C1 ZINC001650551934 1171171175 /nfs/dbraw/zinc/17/11/75/1171171175.db2.gz RQUAEAPIYPZMJK-SOUVJXGZSA-N 2 0 294.443 1.112 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000601004779 342457745 /nfs/dbraw/zinc/45/77/45/342457745.db2.gz SSORITJNYBDRGE-RBSFLKMASA-N 2 0 281.444 1.850 10 0 CDAERP CC[NH+]1CCC(CNC(=O)NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000586866331 342473071 /nfs/dbraw/zinc/47/30/71/342473071.db2.gz LUSFFRVBIHLKBK-AWEZNQCLSA-N 2 0 282.432 1.112 10 0 CDAERP CC[NH2+]Cc1ccccc1NC(=O)C[C@H]1CCC[NH2+]1 ZINC000124575431 187143998 /nfs/dbraw/zinc/14/39/98/187143998.db2.gz LIBXNNAPNJXXLY-CYBMUJFWSA-N 2 0 261.369 1.877 10 0 CDAERP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1ccnn1C ZINC000650756983 398180078 /nfs/dbraw/zinc/18/00/78/398180078.db2.gz LSQUGLGKZKRTEM-LBPRGKRZSA-N 2 0 258.369 1.990 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000650724982 398163339 /nfs/dbraw/zinc/16/33/39/398163339.db2.gz QRXZTSLADRBBKM-QKPAOTATSA-N 2 0 283.460 1.721 10 0 CDAERP CN(CC[NH+](C)C)c1cc(Br)ccc1C[NH3+] ZINC000082542708 178089210 /nfs/dbraw/zinc/08/92/10/178089210.db2.gz OPTQTHJMSBHVQF-UHFFFAOYSA-N 2 0 286.217 1.906 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCOC2CCOCC2)C[C@H]1C ZINC000625214525 342041841 /nfs/dbraw/zinc/04/18/41/342041841.db2.gz ULAMHWIDWMRZNU-HUUCEWRRSA-N 2 0 284.444 1.987 10 0 CDAERP [NH3+]CCN1CC[NH2+][C@H](c2nccc3ccccc32)C1 ZINC000616604645 361822583 /nfs/dbraw/zinc/82/25/83/361822583.db2.gz YAFROAFEMPHNAR-AWEZNQCLSA-N 2 0 256.353 1.140 10 0 CDAERP CC[NH+]1CCC(CC(C)C)(N2CC[NH2+]CC2)CC1 ZINC000202393663 342104097 /nfs/dbraw/zinc/10/40/97/342104097.db2.gz WMWOUIPIZFTZRS-UHFFFAOYSA-N 2 0 253.434 1.792 10 0 CDAERP [NH3+]CCN1CC[NH2+][C@@H](c2ccc3ncccc3c2)C1 ZINC000616658250 342125250 /nfs/dbraw/zinc/12/52/50/342125250.db2.gz ZDMPFZQRWQFVGD-OAHLLOKOSA-N 2 0 256.353 1.140 10 0 CDAERP [NH3+]CCN1CC[NH2+]C[C@H]1c1ccc2ncccc2c1 ZINC000616636524 342121803 /nfs/dbraw/zinc/12/18/03/342121803.db2.gz VIFLWEGZCXYKAJ-HNNXBMFYSA-N 2 0 256.353 1.140 10 0 CDAERP COCCN(C)C[C@H](O)C[N@@H+]1C[C@@H](C)CC[C@H]1C ZINC000310857673 342139393 /nfs/dbraw/zinc/13/93/93/342139393.db2.gz JYEDKOMDVCGQAR-MJBXVCDLSA-N 2 0 258.406 1.046 10 0 CDAERP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccnc(C)n2)C1 ZINC000351684116 361861884 /nfs/dbraw/zinc/86/18/84/361861884.db2.gz FLRVGJPJPYJBCT-INIZCTEOSA-N 2 0 292.427 1.718 10 0 CDAERP c1ccc(C[NH+]2CCC([C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000096949594 185138512 /nfs/dbraw/zinc/13/85/12/185138512.db2.gz ZPVIGKPGWJQSMO-INIZCTEOSA-N 2 0 260.381 1.887 10 0 CDAERP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]CC1([NH3+])CCOCC1 ZINC000629387656 361901979 /nfs/dbraw/zinc/90/19/79/361901979.db2.gz KSHOTYIFBQWATN-ZDUSSCGKSA-N 2 0 291.395 1.501 10 0 CDAERP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCOCCC[NH3+] ZINC000629398608 361931083 /nfs/dbraw/zinc/93/10/83/361931083.db2.gz VQHOZRUHBZTDHX-CQSZACIVSA-N 2 0 293.411 1.667 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1cnc([C@@H]2CCCO2)s1 ZINC000629400513 361938001 /nfs/dbraw/zinc/93/80/01/361938001.db2.gz ZUPQEVKPJBIIFQ-LBPRGKRZSA-N 2 0 285.413 1.450 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC1CC[NH+](CCC(F)(F)F)CC1 ZINC000629407528 361954480 /nfs/dbraw/zinc/95/44/80/361954480.db2.gz CTVVBNDVOWIHCB-CMPLNLGQSA-N 2 0 279.350 1.743 10 0 CDAERP CC1(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)CCC1 ZINC000434767786 539044533 /nfs/dbraw/zinc/04/45/33/539044533.db2.gz SSCPWZXYFOELPZ-ZDUSSCGKSA-N 2 0 267.417 1.354 10 0 CDAERP Cc1cnn(CC[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000652349115 539039289 /nfs/dbraw/zinc/03/92/89/539039289.db2.gz ASKGZEZDUZDDIP-ARFHVFGLSA-N 2 0 292.427 1.410 10 0 CDAERP CC(C)(C[NH3+])C1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000669377378 539072091 /nfs/dbraw/zinc/07/20/91/539072091.db2.gz OFTLTUXHQSCFSG-UHFFFAOYSA-N 2 0 262.397 1.998 10 0 CDAERP CC(C)(C)OC(=O)N[C@@H]1C[NH2+]CC[C@H]1C1CC[NH2+]CC1 ZINC000669385051 539072617 /nfs/dbraw/zinc/07/26/17/539072617.db2.gz VLTPSFFMAYCCTP-QWHCGFSZSA-N 2 0 283.416 1.489 10 0 CDAERP COC(=O)CCCC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000600708800 342243187 /nfs/dbraw/zinc/24/31/87/342243187.db2.gz GKXNAPXBKSKGPR-RBSFLKMASA-N 2 0 298.427 1.691 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC000353456616 539097843 /nfs/dbraw/zinc/09/78/43/539097843.db2.gz DHUBOKSJZLIXEI-GFCCVEGCSA-N 2 0 278.400 1.608 10 0 CDAERP C[C@@H](CC[S@@](C)=O)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000594932454 342975706 /nfs/dbraw/zinc/97/57/06/342975706.db2.gz QEYRCGJZHIRRJK-FKIZINRSSA-N 2 0 292.408 1.514 10 0 CDAERP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H]1COCCO1 ZINC000626063624 342297584 /nfs/dbraw/zinc/29/75/84/342297584.db2.gz KQVPKTTZXKVLCU-QGZVFWFLSA-N 2 0 292.423 1.986 10 0 CDAERP NC(=O)C1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000584355718 362104611 /nfs/dbraw/zinc/10/46/11/362104611.db2.gz JGKDWOLIQYYELO-UHFFFAOYSA-N 2 0 273.380 1.030 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1cccc(NC(C)=O)c1 ZINC000629528968 362154640 /nfs/dbraw/zinc/15/46/40/362154640.db2.gz ODJKBVCBSGKFQX-LBPRGKRZSA-N 2 0 279.384 1.532 10 0 CDAERP CCC[C@@H]([NH2+]CCOCC[NH2+]C)c1ccccn1 ZINC000629529658 362158871 /nfs/dbraw/zinc/15/88/71/362158871.db2.gz JUWFALFUYCZHRP-CYBMUJFWSA-N 2 0 251.374 1.748 10 0 CDAERP CSC1(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)CC[NH+](C)CC1 ZINC000597133767 343453859 /nfs/dbraw/zinc/45/38/59/343453859.db2.gz XZONGIGRERUTJR-KBPBESRZSA-N 2 0 284.469 1.971 10 0 CDAERP CCC(O)(CC)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000165218106 282311606 /nfs/dbraw/zinc/31/16/06/282311606.db2.gz XYVUKTPVSLQYFR-ZIAGYGMSSA-N 2 0 254.418 1.954 10 0 CDAERP C[C@@H]1CC[C@@H](C[NH3+])N(CC(=O)N2CCCC2)[C@H]1C ZINC000316208414 362292466 /nfs/dbraw/zinc/29/24/66/362292466.db2.gz XUWCMCYHVAWRMY-AGIUHOORSA-N 2 0 253.390 1.057 10 0 CDAERP C[C@H]1CN(Cc2ccc3c(c2)C[NH2+]CC3)C[C@H]1[NH+](C)C ZINC000251813018 344059635 /nfs/dbraw/zinc/05/96/35/344059635.db2.gz OOTHDQHWDMENOY-SUMWQHHRSA-N 2 0 273.424 1.714 10 0 CDAERP CS[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C[C@H]1[NH+](C)C ZINC000602131337 344356818 /nfs/dbraw/zinc/35/68/18/344356818.db2.gz MFNBLWFFONZETK-WFFHOREQSA-N 2 0 294.424 1.017 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)NCC1CC[NH2+]CC1 ZINC000257661078 344370096 /nfs/dbraw/zinc/37/00/96/344370096.db2.gz DHLHOHDCZIPAMY-AWEZNQCLSA-N 2 0 267.417 1.367 10 0 CDAERP C[C@H]1CN(C)C[C@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446887000 362387896 /nfs/dbraw/zinc/38/78/96/362387896.db2.gz MRYVIVWUNNXYAQ-SWLSCSKDSA-N 2 0 251.418 1.401 10 0 CDAERP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CC[C@H]([NH3+])C1)CC(C)C ZINC000262651409 344696801 /nfs/dbraw/zinc/69/68/01/344696801.db2.gz ACVKWCRTXWOICP-KKUMJFAQSA-N 2 0 283.460 1.987 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NCCC[NH+]2CCCC[C@H]2C)C1 ZINC000553210051 290103379 /nfs/dbraw/zinc/10/33/79/290103379.db2.gz KVHZHCDCHDXQQH-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)[C@@H]1CCCCO1 ZINC000623888793 345616803 /nfs/dbraw/zinc/61/68/03/345616803.db2.gz UXUWTLUBWACSLB-HOTGVXAUSA-N 2 0 283.460 1.561 10 0 CDAERP COc1nccnc1C[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000449341734 362657173 /nfs/dbraw/zinc/65/71/73/362657173.db2.gz ZYBUPFCGOXUPGP-UHFFFAOYSA-N 2 0 296.440 1.402 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)COc2ccccc2)CC1(C)C ZINC000623351635 346079125 /nfs/dbraw/zinc/07/91/25/346079125.db2.gz YSXYUAMFSVZRNM-HUUCEWRRSA-N 2 0 292.423 1.889 10 0 CDAERP c1[nH]nc2cccc(C[NH2+]CCCC[NH+]3CCOCC3)c12 ZINC000623358670 346087055 /nfs/dbraw/zinc/08/70/55/346087055.db2.gz MHYFRXQEYVOQIN-UHFFFAOYSA-N 2 0 288.395 1.765 10 0 CDAERP C[C@@](O)(C[NH3+])CCCC[N@@H+]1CCc2ccccc2C1 ZINC000085304192 179011275 /nfs/dbraw/zinc/01/12/75/179011275.db2.gz OCNHTEUBXOPDQP-INIZCTEOSA-N 2 0 262.397 1.925 10 0 CDAERP C[C@](O)(C[NH3+])CCC[N@@H+]1CCCc2ccccc2C1 ZINC000085302859 179011529 /nfs/dbraw/zinc/01/15/29/179011529.db2.gz BZLYJQWFAOSNDZ-MRXNPFEDSA-N 2 0 262.397 1.925 10 0 CDAERP C[NH+](C)CCN(C(=O)[C@H]1CCC[C@H]1[NH3+])C1CCCC1 ZINC000085369389 179039250 /nfs/dbraw/zinc/03/92/50/179039250.db2.gz FMZRNTUAZVTQSO-UONOGXRCSA-N 2 0 267.417 1.447 10 0 CDAERP CC(C)CC[NH+]1CCN(C(=O)[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000085369273 179039346 /nfs/dbraw/zinc/03/93/46/179039346.db2.gz JTJMIZIWWJUOGT-KBPBESRZSA-N 2 0 267.417 1.304 10 0 CDAERP [NH3+][C@@H]1CCCC[C@@H]1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000085369809 179039922 /nfs/dbraw/zinc/03/99/22/179039922.db2.gz KRDWVOQWVMMQPQ-LSDHHAIUSA-N 2 0 279.428 1.591 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[C@@H]1[NH3+])c1cccs1 ZINC000085370950 179041139 /nfs/dbraw/zinc/04/11/39/179041139.db2.gz RSBUCUGOFPAARW-SRVKXCTJSA-N 2 0 281.425 1.594 10 0 CDAERP CC(C)OC[C@H](C)[NH2+]C[C@@H]1CCCCN1CCO ZINC000449395900 362692109 /nfs/dbraw/zinc/69/21/09/362692109.db2.gz JYHWUFWWZPUVLK-KBPBESRZSA-N 2 0 258.406 1.236 10 0 CDAERP CN(C)c1ccncc1C[NH2+]C[C@@H]1CCCCN1CCO ZINC000449396009 362692239 /nfs/dbraw/zinc/69/22/39/362692239.db2.gz RAYREGVLAADXDU-HNNXBMFYSA-N 2 0 292.427 1.084 10 0 CDAERP CC(C)[N@H+](C)CCCCNC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085373359 179042852 /nfs/dbraw/zinc/04/28/52/179042852.db2.gz QXVSMIKTHCNDDU-STQMWFEESA-N 2 0 255.406 1.350 10 0 CDAERP [NH3+]CCN1C[C@@H]2CCCN2C2=C(Br)C=CC[C@@H]21 ZINC000584647653 346505869 /nfs/dbraw/zinc/50/58/69/346505869.db2.gz INNLAPZXIIOGNZ-JQWIXIFHSA-N 2 0 298.228 1.660 10 0 CDAERP C[NH+](C)C(C)(C)Cn1c2c(nc1C1CC1)C[NH2+]CC2 ZINC000085574091 179099194 /nfs/dbraw/zinc/09/91/94/179099194.db2.gz ZKLSBEAJFAXAFL-UHFFFAOYSA-N 2 0 262.401 1.746 10 0 CDAERP Cc1nccn1CC[N@@H+]1CCC[NH2+][C@H](C(C)(C)C)C1 ZINC000085613729 179103215 /nfs/dbraw/zinc/10/32/15/179103215.db2.gz KKCWNFFRVQMGRV-AWEZNQCLSA-N 2 0 264.417 1.902 10 0 CDAERP C[NH+]1CCN(CC[NH2+][C@H]2[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000085674502 179111758 /nfs/dbraw/zinc/11/17/58/179111758.db2.gz PLRNFDVUDJQAJN-KKUMJFAQSA-N 2 0 281.444 1.027 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(C(C)(C)C)C2)CC1(C)C ZINC000623438349 346756732 /nfs/dbraw/zinc/75/67/32/346756732.db2.gz WNAPXOSKNSTUEY-QWHCGFSZSA-N 2 0 281.444 1.848 10 0 CDAERP CCC[NH2+][C@@H](CCO)CN(C)CC1CC[NH+](C)CC1 ZINC000085923049 179201143 /nfs/dbraw/zinc/20/11/43/179201143.db2.gz WRRPCXZOZYUKRC-HNNXBMFYSA-N 2 0 271.449 1.011 10 0 CDAERP CCc1nnc([C@@H](C)N[C@H]2CC[N@H+](C)C(C)(C)C2)[nH]1 ZINC000623476784 347417508 /nfs/dbraw/zinc/41/75/08/347417508.db2.gz PAEMMQRFEXGPAI-MNOVXSKESA-N 2 0 265.405 1.891 10 0 CDAERP C1C[C@@H]2[C@H](N3CC[NH2+]C4(CCCCC4)C3)CC[N@@H+]2C1 ZINC000086145111 179238048 /nfs/dbraw/zinc/23/80/48/179238048.db2.gz MZIYHOJEMGGMMB-HUUCEWRRSA-N 2 0 263.429 1.831 10 0 CDAERP CC(C)(C)[C@@H]1CN([C@@H]2CC[N@@H+](C3CC3)C2)CC[NH2+]1 ZINC000086145987 179238956 /nfs/dbraw/zinc/23/89/56/179238956.db2.gz ICFMEAKFJPJODN-KGLIPLIRSA-N 2 0 251.418 1.543 10 0 CDAERP CC(C)C[C@H]1CN(C2CC[NH+](C)CC2)[C@@H](C)C[NH2+]1 ZINC000086217846 179249862 /nfs/dbraw/zinc/24/98/62/179249862.db2.gz XKLUVCDLRFMMMO-KBPBESRZSA-N 2 0 253.434 1.789 10 0 CDAERP C[C@H]1C[NH2+]C2(CCCC2)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223153 179252545 /nfs/dbraw/zinc/25/25/45/179252545.db2.gz TZLIPMYZNDVSNQ-UONOGXRCSA-N 2 0 251.418 1.545 10 0 CDAERP C[C@@H]1CCC[C@@]1(O)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623534082 347619878 /nfs/dbraw/zinc/61/98/78/347619878.db2.gz WPYXCUNABKFOKX-UMVBOHGHSA-N 2 0 254.418 2.000 10 0 CDAERP [NH3+]C/C=C\CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000641862808 365947576 /nfs/dbraw/zinc/94/75/76/365947576.db2.gz SEQZPHOIOSKLDA-SFAKSCPVSA-N 2 0 280.416 1.161 10 0 CDAERP CCCN(CC[NH+]1CCCC1)C(=O)NC/C=C/C[NH3+] ZINC000641867910 365952308 /nfs/dbraw/zinc/95/23/08/365952308.db2.gz WYNMXUOPSTWMPZ-ONEGZZNKSA-N 2 0 268.405 1.019 10 0 CDAERP C[NH+](C)[C@@H]1CCCN(C(=O)c2ccccc2CC[NH3+])C1 ZINC000091395018 349331398 /nfs/dbraw/zinc/33/13/98/349331398.db2.gz YEMJFZTUSSZHNG-CQSZACIVSA-N 2 0 275.396 1.354 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CC[C@H](C)[NH2+]C2)[C@H](C)C1 ZINC000629537436 362952507 /nfs/dbraw/zinc/95/25/07/362952507.db2.gz JGKSYKBGGAWHHP-TWMKSMIVSA-N 2 0 297.487 1.854 10 0 CDAERP CC(C)[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH2+]1 ZINC000621158511 350466823 /nfs/dbraw/zinc/46/68/23/350466823.db2.gz QUONABKIISQHEE-IHRRRGAJSA-N 2 0 267.417 1.173 10 0 CDAERP Cc1ncc(CN[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)o1 ZINC000628231504 362960078 /nfs/dbraw/zinc/96/00/78/362960078.db2.gz QUPWHKQXNONIOM-AWEZNQCLSA-N 2 0 296.415 1.165 10 0 CDAERP C[C@H]([NH2+]CCOCCC[NH3+])c1ccc2c(c1)OCCO2 ZINC000629541783 362965065 /nfs/dbraw/zinc/96/50/65/362965065.db2.gz VVEOYNCPWKJQLZ-LBPRGKRZSA-N 2 0 280.368 1.474 10 0 CDAERP CC(C)[C@H]1CN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CC[NH2+]1 ZINC000622187470 351060938 /nfs/dbraw/zinc/06/09/38/351060938.db2.gz RNPUHYDUPMKQSV-LSDHHAIUSA-N 2 0 281.444 1.707 10 0 CDAERP C[N@@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCC(=O)NC2(C)C)C1 ZINC000624123722 351429563 /nfs/dbraw/zinc/42/95/63/351429563.db2.gz RKZGLXSPPAYESH-QWHCGFSZSA-N 2 0 267.417 1.365 10 0 CDAERP COc1ccc([C@H]2CCN(C[C@H](C)[NH3+])C2)cc1F ZINC000629588416 363063345 /nfs/dbraw/zinc/06/33/45/363063345.db2.gz HJHWFXWUMQMZRG-JQWIXIFHSA-N 2 0 252.333 1.971 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)C[C@H]1CCOc2ccccc21 ZINC000629653684 363254651 /nfs/dbraw/zinc/25/46/51/363254651.db2.gz MCUKKPTVOPGIIL-CQSZACIVSA-N 2 0 278.396 1.721 10 0 CDAERP Cc1cc(C2([NH2+]C[C@@H]3CC[NH2+][C@@H](C)C3)CCOCC2)on1 ZINC000629672445 363340507 /nfs/dbraw/zinc/34/05/07/363340507.db2.gz OJXYIZVGZRPHCC-GXTWGEPZSA-N 2 0 293.411 1.966 10 0 CDAERP C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@H]1CCCN(C)C1 ZINC000644548242 366165597 /nfs/dbraw/zinc/16/55/97/366165597.db2.gz WBQCNUPPVHQYEN-VNQPRFMTSA-N 2 0 262.397 1.835 10 0 CDAERP C[C@@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[NH+](C)C ZINC000454571805 363381725 /nfs/dbraw/zinc/38/17/25/363381725.db2.gz UBGJTQUGLUJNDJ-FUDCBSFHSA-N 2 0 282.432 1.251 10 0 CDAERP C[NH2+]C[C@H]1CCCN(Cc2cc(-c3cnn(C)c3)no2)C1 ZINC000570162666 363398215 /nfs/dbraw/zinc/39/82/15/363398215.db2.gz WDAJHNWEUIPHCB-GFCCVEGCSA-N 2 0 289.383 1.507 10 0 CDAERP Cc1cccnc1C[N@@H+](C)CCCNC(=O)CC[NH+](C)C ZINC001660291965 1172190301 /nfs/dbraw/zinc/19/03/01/1172190301.db2.gz ZWXFXASDFJXSDJ-UHFFFAOYSA-N 2 0 292.427 1.280 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](CO)CC2)[C@@H]2CCC[C@@H]21 ZINC000453135736 283142875 /nfs/dbraw/zinc/14/28/75/283142875.db2.gz KAGQXJZLZZTXIL-QXKUPLGCSA-N 2 0 266.429 2.000 10 0 CDAERP COCc1ccccc1C[NH2+][C@H](CCC[NH3+])COC ZINC000234732261 140230693 /nfs/dbraw/zinc/23/06/93/140230693.db2.gz LGTXOOVISRSPEW-OAHLLOKOSA-N 2 0 266.385 1.677 10 0 CDAERP C[N@@H+]1CC[C@]2(CCN(CC[C@H]3CCCC[NH+]3C)C2)C1 ZINC000368352881 283170209 /nfs/dbraw/zinc/17/02/09/283170209.db2.gz YNHXHSUPQHTIHK-CVEARBPZSA-N 2 0 265.445 1.888 10 0 CDAERP CC[N@H+](CCO)C1CCC(C)([NH+]2CCOCC2)CC1 ZINC000725262895 538455263 /nfs/dbraw/zinc/45/52/63/538455263.db2.gz RFVCNLXOJCRWFK-UHFFFAOYSA-N 2 0 270.417 1.334 10 0 CDAERP FC(F)Cn1cc(C[NH2+][C@H]2CCc3nc[nH]c3C2)cn1 ZINC000367924207 356624478 /nfs/dbraw/zinc/62/44/78/356624478.db2.gz BTLUCKZSRJGCQL-JTQLQIEISA-N 2 0 281.310 1.518 10 0 CDAERP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH+](C)C)C2(C)C)CC[N@@H+]1C ZINC000636109213 363538139 /nfs/dbraw/zinc/53/81/39/363538139.db2.gz GZOXYEXROWKLSV-NDBYEHHHSA-N 2 0 267.417 1.172 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)CC1 ZINC000636115327 363548431 /nfs/dbraw/zinc/54/84/31/363548431.db2.gz LZKCKVKICAVCGG-NWDGAFQWSA-N 2 0 267.417 1.173 10 0 CDAERP C[N@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)C1(C)CCCC1 ZINC000414759884 366352241 /nfs/dbraw/zinc/35/22/41/366352241.db2.gz FVAMUQIEGKCWEQ-ZDUSSCGKSA-N 2 0 267.417 1.448 10 0 CDAERP CC[NH+]1CCC(C[NH2+]C[C@H](O)C[C@@](C)(O)C2CC2)CC1 ZINC000634700529 357370268 /nfs/dbraw/zinc/37/02/68/357370268.db2.gz BBOQJQQKTXIFTR-HZPDHXFCSA-N 2 0 284.444 1.220 10 0 CDAERP COC(=O)[C@@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C[C@@H]1C ZINC000261999272 357350914 /nfs/dbraw/zinc/35/09/14/357350914.db2.gz LCZJAKXCLNJRFT-SCRDCRAPSA-N 2 0 254.374 1.117 10 0 CDAERP CC(C)(C[NH2+]C[C@@H](O)C[C@](C)(O)C1CC1)C[NH+]1CCCC1 ZINC000634712677 357411991 /nfs/dbraw/zinc/41/19/91/357411991.db2.gz KDLTWRGVKBDASB-RDJZCZTQSA-N 2 0 298.471 1.610 10 0 CDAERP C[NH+](C)C1CCC([NH2+]C[C@H](O)C[C@@](C)(O)C2CC2)CC1 ZINC000634716941 357427754 /nfs/dbraw/zinc/42/77/54/357427754.db2.gz BTZCOTMHGUKKCU-QDIHITRGSA-N 2 0 284.444 1.361 10 0 CDAERP C[N@@H+](Cc1nc(-c2cccnc2)no1)CC1CC[NH2+]CC1 ZINC000565302923 357471905 /nfs/dbraw/zinc/47/19/05/357471905.db2.gz HUQYFMOAQXQABB-UHFFFAOYSA-N 2 0 287.367 1.563 10 0 CDAERP Cc1cc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)on1 ZINC000631125310 363590500 /nfs/dbraw/zinc/59/05/00/363590500.db2.gz BVKGDXDXYZWOLO-UHFFFAOYSA-N 2 0 266.389 1.099 10 0 CDAERP C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C[N@@H+]1C1CC1 ZINC000261825244 291140490 /nfs/dbraw/zinc/14/04/90/291140490.db2.gz OIPKKGDIPVLHAS-KZVDOYCCSA-N 2 0 265.401 1.103 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000040829698 358745622 /nfs/dbraw/zinc/74/56/22/358745622.db2.gz YFKFTXDAHHDUFC-BPUTZDHNSA-N 2 0 293.455 1.898 10 0 CDAERP O=C(C[C@@H]1CCC[NH2+]C1)NCC[NH+]1CCCCCC1 ZINC000054308626 358712120 /nfs/dbraw/zinc/71/21/20/358712120.db2.gz KZWUCHWHWNOLCA-AWEZNQCLSA-N 2 0 267.417 1.368 10 0 CDAERP c1nc(NCC2CC2)cc(N2CCC[C@H]3C[NH2+]CC[C@@H]32)n1 ZINC000634812870 358777456 /nfs/dbraw/zinc/77/74/56/358777456.db2.gz SVIGDNSNSFZRJI-KBPBESRZSA-N 2 0 287.411 1.877 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC000345760065 358901048 /nfs/dbraw/zinc/90/10/48/358901048.db2.gz MKPUCVMWYUKZKB-ILXRZTDVSA-N 2 0 298.475 1.841 10 0 CDAERP C[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2CC[NH3+])C1 ZINC000070552828 358969168 /nfs/dbraw/zinc/96/91/68/358969168.db2.gz HQLMBBWBFDFHLT-ZDUSSCGKSA-N 2 0 275.396 1.259 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000644841536 358984268 /nfs/dbraw/zinc/98/42/68/358984268.db2.gz QKMYXVURHBZKGP-PBHICJAKSA-N 2 0 297.406 1.712 10 0 CDAERP CCC[NH+]1CCC(N(C)C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261875332 359074343 /nfs/dbraw/zinc/07/43/43/359074343.db2.gz PVQNUHNGFSMQLG-OAHLLOKOSA-N 2 0 253.434 1.792 10 0 CDAERP C[NH+](C)CCOc1cccc(CNC2=[NH+]CCCN2)c1 ZINC000261887176 359077517 /nfs/dbraw/zinc/07/75/17/359077517.db2.gz SDZXSXUJGNBNJZ-UHFFFAOYSA-N 2 0 276.384 1.066 10 0 CDAERP [NH3+][C@@H]1CN(CCN2CCCC2=O)C[C@H]1c1ccccc1 ZINC000261887983 359078871 /nfs/dbraw/zinc/07/88/71/359078871.db2.gz ZJPFBFQDOFYDMH-LSDHHAIUSA-N 2 0 273.380 1.036 10 0 CDAERP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000261927592 359091736 /nfs/dbraw/zinc/09/17/36/359091736.db2.gz ZNVZFPPJLAOYAQ-HUUCEWRRSA-N 2 0 293.455 1.886 10 0 CDAERP CCC[C@H](C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1)[NH+](C)C ZINC000162287567 359094857 /nfs/dbraw/zinc/09/48/57/359094857.db2.gz FOPQNAKCSYNCJJ-SOUVJXGZSA-N 2 0 283.460 1.953 10 0 CDAERP [NH3+]C[C@@H]1c2ccccc2CCN1CC[C@@H]1CC[NH2+]C1 ZINC000566245918 359061258 /nfs/dbraw/zinc/06/12/58/359061258.db2.gz ZDYMYPZJTVBACV-XJKSGUPXSA-N 2 0 259.397 1.544 10 0 CDAERP C[N@@H+]1CCCN(C(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000336497356 363646704 /nfs/dbraw/zinc/64/67/04/363646704.db2.gz AAPFEBVWKIMYAJ-AWEZNQCLSA-N 2 0 279.359 1.032 10 0 CDAERP CC[NH+](CC)[C@H](C)CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166087854 359353104 /nfs/dbraw/zinc/35/31/04/359353104.db2.gz YXKQDXXLALQNRO-QLFBSQMISA-N 2 0 253.434 1.933 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1CC12CC[NH2+]CC2)C1CCCCC1 ZINC000237145865 359353438 /nfs/dbraw/zinc/35/34/38/359353438.db2.gz OJQZMLLIWWWGQI-OAHLLOKOSA-N 2 0 293.455 1.757 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000339442588 359407448 /nfs/dbraw/zinc/40/74/48/359407448.db2.gz LESLGMNZYUJIJX-GJZGRUSLSA-N 2 0 298.475 1.890 10 0 CDAERP CN(C(=O)CC[C@@H]1CCCC[NH+]1C)[C@H]1CCC[N@H+](C)C1 ZINC000354063609 359438474 /nfs/dbraw/zinc/43/84/74/359438474.db2.gz CBJKQNKRRRFYRP-GJZGRUSLSA-N 2 0 281.444 1.804 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NC(C)(C)CC[NH3+] ZINC000422599190 359644476 /nfs/dbraw/zinc/64/44/76/359644476.db2.gz PRXAVHNLPHSVQS-STQMWFEESA-N 2 0 284.448 1.676 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000422981826 359697855 /nfs/dbraw/zinc/69/78/55/359697855.db2.gz UNWDGIYGIFWUSQ-OCCSQVGLSA-N 2 0 266.385 1.667 10 0 CDAERP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000423088502 359749660 /nfs/dbraw/zinc/74/96/60/359749660.db2.gz QIRWNGZBQOWGCC-KGLIPLIRSA-N 2 0 266.429 1.907 10 0 CDAERP CCC[C@@H](C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)[NH+](C)C ZINC000163311983 359903146 /nfs/dbraw/zinc/90/31/46/359903146.db2.gz RKAVCCYNWUJNJB-GJZGRUSLSA-N 2 0 281.444 1.661 10 0 CDAERP CC(C)C[C@H]([NH3+])C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424368926 360023680 /nfs/dbraw/zinc/02/36/80/360023680.db2.gz ATYYZZATKVYAHQ-KBPBESRZSA-N 2 0 253.434 1.824 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(C)C(=O)C2)[C@@H](C)C1 ZINC000424326106 360007482 /nfs/dbraw/zinc/00/74/82/360007482.db2.gz NHVROFGANUEYGB-MJBXVCDLSA-N 2 0 267.417 1.175 10 0 CDAERP C[NH+](C)CCCNC(=O)c1ccccc1OCC[NH+](C)C ZINC000120974040 360101518 /nfs/dbraw/zinc/10/15/18/360101518.db2.gz WWHOVKTXYLRVIK-UHFFFAOYSA-N 2 0 293.411 1.309 10 0 CDAERP C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000337461431 360150387 /nfs/dbraw/zinc/15/03/87/360150387.db2.gz KOZNZBULHKJPNV-DOMZBBRYSA-N 2 0 279.428 1.508 10 0 CDAERP O=C(NC1CC([NH+]2CCCCC2)C1)[C@H]1CC12CC[NH2+]CC2 ZINC000335479342 360336726 /nfs/dbraw/zinc/33/67/26/360336726.db2.gz MPJNYWQYFZTRMI-YMAMQOFZSA-N 2 0 291.439 1.509 10 0 CDAERP c1ccc(CN(CC23CC(C2)C[NH2+]3)[C@H]2CCC[NH2+]C2)cc1 ZINC000634991209 360615497 /nfs/dbraw/zinc/61/54/97/360615497.db2.gz UQYZIUBQPZZRDW-ADKAHSJRSA-N 2 0 285.435 1.993 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000626935142 360654160 /nfs/dbraw/zinc/65/41/60/360654160.db2.gz YBZONIJESDDOLR-HZSPNIEDSA-N 2 0 282.432 1.301 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000626938814 360665784 /nfs/dbraw/zinc/66/57/84/360665784.db2.gz WWEHTSVNSSCVAI-ZOBORPQBSA-N 2 0 280.416 1.053 10 0 CDAERP C[C@H](CCNC(=O)NCCC[NH3+])[N@H+](C)Cc1ccccc1 ZINC000417807131 360779462 /nfs/dbraw/zinc/77/94/62/360779462.db2.gz CBLAYPGDHFBMBX-CQSZACIVSA-N 2 0 292.427 1.545 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](C)CC1 ZINC000338925657 361137103 /nfs/dbraw/zinc/13/71/03/361137103.db2.gz NJIFWCJZMGTOIJ-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC[C@@H](CO)C1 ZINC000366193694 361123570 /nfs/dbraw/zinc/12/35/70/361123570.db2.gz VGHTUEYJTARFDK-CABCVRRESA-N 2 0 254.418 1.955 10 0 CDAERP C[NH2+]CCCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000417932996 361402262 /nfs/dbraw/zinc/40/22/62/361402262.db2.gz DMHAVUZKYVMRMO-LSDHHAIUSA-N 2 0 290.411 1.341 10 0 CDAERP CC[NH2+]Cc1ccccc1NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000644097303 363870219 /nfs/dbraw/zinc/87/02/19/363870219.db2.gz MBZQYZLOZWTZHU-LBPRGKRZSA-N 2 0 297.349 1.979 10 0 CDAERP CC[N@H+](C)C[C@H](O)CN(CC[NH+]1CCCCCC1)C(C)C ZINC000566425097 370716179 /nfs/dbraw/zinc/71/61/79/370716179.db2.gz SLKWTTYAVKTLRX-KRWDZBQOSA-N 2 0 299.503 1.885 10 0 CDAERP CN1CCN(C(=O)c2ccc(C[NH+](C)C)nc2)CC1(C)C ZINC000566459439 370736159 /nfs/dbraw/zinc/73/61/59/370736159.db2.gz KALIMMAMLGLOCQ-UHFFFAOYSA-N 2 0 290.411 1.309 10 0 CDAERP C[C@H]([NH3+])CCC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000248846145 364300293 /nfs/dbraw/zinc/30/02/93/364300293.db2.gz HTTYFWRMYPZARU-OLZOCXBDSA-N 2 0 269.433 1.741 10 0 CDAERP C[N@H+](CC(=O)NCc1ccc2c[nH+]cn2c1)C1CCC1 ZINC000630007092 364414708 /nfs/dbraw/zinc/41/47/08/364414708.db2.gz FNLQXTCBOKIAKZ-UHFFFAOYSA-N 2 0 272.352 1.435 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCN2CCOCC2(C)C)[C@H]2CCC[C@@H]21 ZINC000367598823 364530241 /nfs/dbraw/zinc/53/02/41/364530241.db2.gz GLMKLXNBTCAGML-PMPSAXMXSA-N 2 0 295.471 1.560 10 0 CDAERP CC(C)C[C@H]([NH3+])C(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000373040519 364565314 /nfs/dbraw/zinc/56/53/14/364565314.db2.gz SFKDQCMFDGVINA-GJZGRUSLSA-N 2 0 281.444 1.837 10 0 CDAERP C[C@@H](CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)[NH+](C)C1CC1 ZINC000105263633 364696492 /nfs/dbraw/zinc/69/64/92/364696492.db2.gz CESFBEBKMKMBMC-DZGCQCFKSA-N 2 0 294.443 1.349 10 0 CDAERP COC[C@@H](C)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000187196921 364714666 /nfs/dbraw/zinc/71/46/66/364714666.db2.gz DSLSUDFEBYMPGT-HOTGVXAUSA-N 2 0 283.460 1.371 10 0 CDAERP CC[C@@H](Cn1cncn1)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000563957623 364784944 /nfs/dbraw/zinc/78/49/44/364784944.db2.gz QJGIHGUIPPKXNZ-AWEZNQCLSA-N 2 0 259.357 1.305 10 0 CDAERP O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262461129 296069166 /nfs/dbraw/zinc/06/91/66/296069166.db2.gz VXWHVBFINFOLML-AICCOOGYSA-N 2 0 277.412 1.260 10 0 CDAERP COCC[N@@H+]1CC[C@H](NC(=O)CC[C@H]2CCCC[NH+]2C)C1 ZINC000353438846 365207445 /nfs/dbraw/zinc/20/74/45/365207445.db2.gz CJMGDGLTIVFCSV-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(-n3cncn3)cc2)C1 ZINC000353563302 365300710 /nfs/dbraw/zinc/30/07/10/365300710.db2.gz AERKXSPWVJKQSR-OAHLLOKOSA-N 2 0 285.395 1.651 10 0 CDAERP CO[C@]1(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CCOC1 ZINC000353689130 365369893 /nfs/dbraw/zinc/36/98/93/365369893.db2.gz PVVUYBFIHYEWGL-KBXIAJHMSA-N 2 0 268.401 1.254 10 0 CDAERP C[C@@H]([NH2+]CCn1cc(Br)cn1)[C@@H]1CC[NH2+]C1 ZINC000400361153 366950674 /nfs/dbraw/zinc/95/06/74/366950674.db2.gz NQQNORGICVHQLG-NXEZZACHSA-N 2 0 287.205 1.233 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCc2ccccc2[C@@H]1CO ZINC000414707978 241343602 /nfs/dbraw/zinc/34/36/02/241343602.db2.gz PRKAGBFOQKPPCR-HOCLYGCPSA-N 2 0 262.397 1.952 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000626976701 367120160 /nfs/dbraw/zinc/12/01/60/367120160.db2.gz MQJAGSHLXRRGGM-IYBDPMFKSA-N 2 0 296.459 1.359 10 0 CDAERP C[C@H]1C[C@H](NC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC[N@@H+]1C ZINC000626987191 367151588 /nfs/dbraw/zinc/15/15/88/367151588.db2.gz ZWPWWYUTDQBFDH-LQKXBSAESA-N 2 0 294.443 1.110 10 0 CDAERP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000566854601 370827476 /nfs/dbraw/zinc/82/74/76/370827476.db2.gz BEWLAPOUHSFIRM-RDBSUJKOSA-N 2 0 267.417 1.447 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627038966 367281064 /nfs/dbraw/zinc/28/10/64/367281064.db2.gz XMOFXHQEDJIUKT-ZIAGYGMSSA-N 2 0 296.459 1.691 10 0 CDAERP C[C@@H](CCCC[NH3+])NC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627093968 367428937 /nfs/dbraw/zinc/42/89/37/367428937.db2.gz VYLZQQINIKAQQP-RYUDHWBXSA-N 2 0 268.405 1.088 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)NC2CCC([NH+](C)C)CC2)C[NH2+]1 ZINC000627106683 367452606 /nfs/dbraw/zinc/45/26/06/367452606.db2.gz SYRZNHXDISNQQI-NELGMTEASA-N 2 0 282.432 1.299 10 0 CDAERP CC1=CC[NH+](CCNC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000358199356 367507928 /nfs/dbraw/zinc/50/79/28/367507928.db2.gz YWDUTWCKOXHTSP-LSDHHAIUSA-N 2 0 294.443 1.420 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+](C(C)(C)C)C2)CC[N@@H+]1C ZINC000630081419 367511378 /nfs/dbraw/zinc/51/13/78/367511378.db2.gz FCTAIMSSMLDAAF-SOUVJXGZSA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000627167985 367604521 /nfs/dbraw/zinc/60/45/21/367604521.db2.gz PCXVNGCKRWHTSU-UONOGXRCSA-N 2 0 280.416 1.007 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000416998726 242258095 /nfs/dbraw/zinc/25/80/95/242258095.db2.gz BJPZXZBAJMVIPM-LXTVHRRPSA-N 2 0 296.459 1.486 10 0 CDAERP CCC[NH+]1CCC(NC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000417743781 242633299 /nfs/dbraw/zinc/63/32/99/242633299.db2.gz CYXGDHWVKKLSAP-JSGCOSHPSA-N 2 0 282.432 1.158 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]([NH3+])C(C)C)[C@@H](C)C1 ZINC000418383383 243010696 /nfs/dbraw/zinc/01/06/96/243010696.db2.gz IYZNDRPTNJCKPW-IHRRRGAJSA-N 2 0 284.448 1.341 10 0 CDAERP CC(C)[C@@H]([NH3+])CNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000418415056 243048600 /nfs/dbraw/zinc/04/86/00/243048600.db2.gz UCVINZMEGMLGLH-RISCZKNCSA-N 2 0 278.400 1.489 10 0 CDAERP C[C@@H](CCC[NH3+])NC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418449118 243090316 /nfs/dbraw/zinc/09/03/16/243090316.db2.gz JWTIAHIRDXVTNZ-WCQYABFASA-N 2 0 264.373 1.113 10 0 CDAERP CC[C@@H](C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)[NH+](CC)CC ZINC000564216069 368404778 /nfs/dbraw/zinc/40/47/78/368404778.db2.gz YYLMAQZTBSWHIT-HOCLYGCPSA-N 2 0 281.444 1.709 10 0 CDAERP CN(C(=O)CC[C@H]1CCCC[N@@H+]1C)[C@H](C[NH3+])C1CC1 ZINC000576822801 317213599 /nfs/dbraw/zinc/21/35/99/317213599.db2.gz NIRJNMDLWMJZFB-ZIAGYGMSSA-N 2 0 267.417 1.447 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000418569302 243223991 /nfs/dbraw/zinc/22/39/91/243223991.db2.gz HVZYKNCHHZFULT-MQAAVTGUSA-N 2 0 294.443 1.251 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H](CO)C1 ZINC000543396193 368911548 /nfs/dbraw/zinc/91/15/48/368911548.db2.gz CERWODBBFOCTSI-AWEZNQCLSA-N 2 0 286.379 1.780 10 0 CDAERP C[C@@H]1CCC[C@H](C)N1C(=O)CN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000367847238 369265851 /nfs/dbraw/zinc/26/58/51/369265851.db2.gz DZUVOUGLLHOVKT-HLLBOEOZSA-N 2 0 293.455 1.804 10 0 CDAERP [NH3+]Cc1cccc(-n2cc(C3CC[NH2+]CC3)nn2)c1 ZINC000630607438 369380777 /nfs/dbraw/zinc/38/07/77/369380777.db2.gz HSZWKAQEQWGDFH-UHFFFAOYSA-N 2 0 257.341 1.193 10 0 CDAERP CCC[C@H](C(=O)NC[C@@H]1CC[N@H+](CC)C1)[NH+](C)C ZINC000137586468 369927388 /nfs/dbraw/zinc/92/73/88/369927388.db2.gz HCLSGGLEJFFRBW-QWHCGFSZSA-N 2 0 255.406 1.175 10 0 CDAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](COC)C2CCOCC2)C1 ZINC000249183558 370128120 /nfs/dbraw/zinc/12/81/20/370128120.db2.gz JKDKGGYYOQFZKK-DZGCQCFKSA-N 2 0 270.417 1.359 10 0 CDAERP CCn1ccnc1CNC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000418277096 370387388 /nfs/dbraw/zinc/38/73/88/370387388.db2.gz VSGLXHXCMFYOFO-LLVKDONJSA-N 2 0 267.377 1.076 10 0 CDAERP COc1ccc(CCC[NH2+][C@H](C)C2C[NH2+]C2)cc1OC ZINC000422723891 245181297 /nfs/dbraw/zinc/18/12/97/245181297.db2.gz SUDWFIVWMQMEGP-GFCCVEGCSA-N 2 0 278.396 1.834 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCOc1ccc(C)cc1 ZINC000422751254 245212081 /nfs/dbraw/zinc/21/20/81/245212081.db2.gz FRFUTTDWNVPDNS-AWEZNQCLSA-N 2 0 266.385 1.717 10 0 CDAERP CC(C)CC1(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CCC1 ZINC000567683324 371098005 /nfs/dbraw/zinc/09/80/05/371098005.db2.gz LQRFOBVKQXBKKJ-MRXNPFEDSA-N 2 0 297.487 1.401 10 0 CDAERP O=C1CCCN1CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422766133 245230252 /nfs/dbraw/zinc/23/02/52/245230252.db2.gz LJVNCPZGWCWGCI-RRFJBIMHSA-N 2 0 279.428 1.509 10 0 CDAERP Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422805201 245277015 /nfs/dbraw/zinc/27/70/15/245277015.db2.gz ISZUZFKPDXEKJS-IAQYHMDHSA-N 2 0 264.417 1.557 10 0 CDAERP C[C@@H](NCC[N@@H+]1CCCC[C@H]1C)[C@H]1CCCC[NH2+]1 ZINC000422855814 245339615 /nfs/dbraw/zinc/33/96/15/245339615.db2.gz FFZXINMSMVSLJU-RBSFLKMASA-N 2 0 253.434 1.981 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000422876129 245361985 /nfs/dbraw/zinc/36/19/85/245361985.db2.gz PVHMSASGZNYZQG-MBNYWOFBSA-N 2 0 294.830 1.901 10 0 CDAERP C[C@@H]([NH2+][C@H](CO)Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000573355244 371514172 /nfs/dbraw/zinc/51/41/72/371514172.db2.gz JCFWNAVISIBIEK-BMFZPTHFSA-N 2 0 262.397 1.568 10 0 CDAERP CCN1CCCC[C@H]1C[NH2+][C@@H](CCC[NH3+])COC ZINC000422906093 245390948 /nfs/dbraw/zinc/39/09/48/245390948.db2.gz JCBYSJFJQPETRR-KBPBESRZSA-N 2 0 257.422 1.204 10 0 CDAERP C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)OC[C@@H]1CCCO1 ZINC000573702634 371631546 /nfs/dbraw/zinc/63/15/46/371631546.db2.gz ZHTMGROMQXKVMY-OWCLPIDISA-N 2 0 282.428 1.646 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000573722994 371638024 /nfs/dbraw/zinc/63/80/24/371638024.db2.gz PSRHYUPENHTPIU-GJZGRUSLSA-N 2 0 281.444 1.899 10 0 CDAERP Cc1cc(NC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)c(C)cn1 ZINC000573783369 371656545 /nfs/dbraw/zinc/65/65/45/371656545.db2.gz KHZLMPACLMSARE-INIZCTEOSA-N 2 0 288.395 1.728 10 0 CDAERP CC(C)n1ncnc1CN1CC[C@@H](c2nccn2C)C1 ZINC000575119814 371747603 /nfs/dbraw/zinc/74/76/03/371747603.db2.gz RCGXOWDWLNIYLI-GFCCVEGCSA-N 2 0 274.372 1.582 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001661643919 1172420389 /nfs/dbraw/zinc/42/03/89/1172420389.db2.gz KRKKMKFLZOVFFV-OKILXGFUSA-N 2 0 269.433 1.611 10 0 CDAERP C[NH2+]CCNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000418322727 372195151 /nfs/dbraw/zinc/19/51/51/372195151.db2.gz DXSXLROXXMVRFY-OAHLLOKOSA-N 2 0 296.459 1.503 10 0 CDAERP COC[C@@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000171973104 372259606 /nfs/dbraw/zinc/25/96/06/372259606.db2.gz XDRBJPSKACFVIB-CVEARBPZSA-N 2 0 284.444 1.582 10 0 CDAERP CC(C)[NH2+]CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000393928447 372308426 /nfs/dbraw/zinc/30/84/26/372308426.db2.gz LAMSHBZIHWOVBG-INIZCTEOSA-N 2 0 289.423 1.717 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)C1 ZINC000645685241 373236841 /nfs/dbraw/zinc/23/68/41/373236841.db2.gz WPJWRMSRJXOBIN-HUUCEWRRSA-N 2 0 289.423 1.923 10 0 CDAERP c1ncn(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000330174662 373312805 /nfs/dbraw/zinc/31/28/05/373312805.db2.gz IKUFGAJFHLKGHW-MGPQQGTHSA-N 2 0 263.389 1.179 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)Nc1nc(C)nc(N(C)C)n1 ZINC000341123115 373323419 /nfs/dbraw/zinc/32/34/19/373323419.db2.gz OMRUJGVVZRUXIF-LLVKDONJSA-N 2 0 280.420 1.200 10 0 CDAERP C[NH2+][C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398072057 373594714 /nfs/dbraw/zinc/59/47/14/373594714.db2.gz PLHRDYLQUIBDOF-LZWOXQAQSA-N 2 0 289.423 1.621 10 0 CDAERP CC(C)[C@H](C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)[NH+](C)C ZINC000341400025 373642158 /nfs/dbraw/zinc/64/21/58/373642158.db2.gz AHYKLHZSUQYEFC-QLFBSQMISA-N 2 0 283.460 1.952 10 0 CDAERP C[C@H]1CN(CC(=O)Nc2ccccc2F)C[C@H]1C[NH3+] ZINC000631843640 373892052 /nfs/dbraw/zinc/89/20/52/373892052.db2.gz QYFJSFOASQGZFD-WDEREUQCSA-N 2 0 265.332 1.291 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CC(C)(C)[C@@H]1CCCCO1 ZINC000643466650 373948022 /nfs/dbraw/zinc/94/80/22/373948022.db2.gz KNKBDMIVHZHLAH-KBPBESRZSA-N 2 0 272.433 1.925 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000418584404 374415059 /nfs/dbraw/zinc/41/50/59/374415059.db2.gz CADYKNJPBWUCQI-ILXRZTDVSA-N 2 0 296.459 1.500 10 0 CDAERP Cc1cc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)on1 ZINC000631039804 374630958 /nfs/dbraw/zinc/63/09/58/374630958.db2.gz ZTQCLBLCELYGRZ-UHFFFAOYSA-N 2 0 266.389 1.099 10 0 CDAERP C[C@@H]1C[N@H+](C)C[C@H]1NCCC[NH+]1CCCC[C@@H]1C ZINC000343083527 374893823 /nfs/dbraw/zinc/89/38/23/374893823.db2.gz MFUUUMDKWNNANQ-QLFBSQMISA-N 2 0 253.434 1.791 10 0 CDAERP C[NH+](C)CC1(C(=O)NCC2=CC[N@H+](C)CC2)CCCCC1 ZINC000427069716 247091184 /nfs/dbraw/zinc/09/11/84/247091184.db2.gz NBXKYJVDCKPWDS-UHFFFAOYSA-N 2 0 293.455 1.877 10 0 CDAERP NNc1cc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc[nH+]1 ZINC000306221490 375714990 /nfs/dbraw/zinc/71/49/90/375714990.db2.gz VZLFUAPYZWRUKE-CYBMUJFWSA-N 2 0 284.367 1.449 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(CCO)CC2)[C@H](C)C1 ZINC000427982461 247223895 /nfs/dbraw/zinc/22/38/95/247223895.db2.gz RGZPGGBTTMOMOF-CVEARBPZSA-N 2 0 298.471 1.876 10 0 CDAERP C[NH+](C)CC[C@@](C)(O)CNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000419991084 376212954 /nfs/dbraw/zinc/21/29/54/376212954.db2.gz GNLJGSNCBBZFSD-GOEBONIOSA-N 2 0 299.459 1.070 10 0 CDAERP COCCOCC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420409374 376348554 /nfs/dbraw/zinc/34/85/54/376348554.db2.gz XATHJFTXZKDMHW-KGLIPLIRSA-N 2 0 256.390 1.113 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000246278227 376599410 /nfs/dbraw/zinc/59/94/10/376599410.db2.gz JTNMYVDNPHLPLS-KGLIPLIRSA-N 2 0 298.475 1.746 10 0 CDAERP CC[C@H]1CN(Cc2ccc3oc(=O)n(C)c3c2)CC[C@@H]1[NH3+] ZINC000631825080 376654213 /nfs/dbraw/zinc/65/42/13/376654213.db2.gz YARTXXFFEQNRBT-STQMWFEESA-N 2 0 289.379 1.691 10 0 CDAERP COc1ccc(OCC[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000631842984 376703936 /nfs/dbraw/zinc/70/39/36/376703936.db2.gz IEPJHEDVBICHHL-STQMWFEESA-N 2 0 264.369 1.601 10 0 CDAERP Cc1ccc([C@@H]([NH3+])C(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000334656494 377230651 /nfs/dbraw/zinc/23/06/51/377230651.db2.gz ZBROAMSPFVNHEL-NWDGAFQWSA-N 2 0 283.322 1.108 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@@]2(CC)CCC[NH2+]2)C1 ZINC000128963244 377343824 /nfs/dbraw/zinc/34/38/24/377343824.db2.gz SCVSYSQDEQNPCT-GXTWGEPZSA-N 2 0 253.390 1.119 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000341063338 284667126 /nfs/dbraw/zinc/66/71/26/284667126.db2.gz XJGBDCRMHWUVBK-CABCVRRESA-N 2 0 294.443 1.372 10 0 CDAERP C[C@@H]1C[NH+](CCCCNC(=O)[C@@H]2CC[C@H]([NH3+])C2)C[C@@H](C)O1 ZINC000165560283 377778234 /nfs/dbraw/zinc/77/82/34/377778234.db2.gz BPRVGGJEHYWMCN-TUVASFSCSA-N 2 0 297.443 1.119 10 0 CDAERP C[N@@H+]1CCCC(C)(C)[C@H]1CN[C@@H]1CCC[NH2+]CC1 ZINC000335012626 377804370 /nfs/dbraw/zinc/80/43/70/377804370.db2.gz QTYWRRHTTNFWMN-ZIAGYGMSSA-N 2 0 253.434 1.839 10 0 CDAERP C[C@@H]1CCC[C@@H]([NH+]2CCC(NCCC[NH3+])CC2)C1 ZINC000437787205 249541534 /nfs/dbraw/zinc/54/15/34/249541534.db2.gz KHVCXXPNMHOKDH-UKRRQHHQSA-N 2 0 253.434 1.968 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000249985162 284721759 /nfs/dbraw/zinc/72/17/59/284721759.db2.gz SDPBUOCWROHAAL-YJNKXOJESA-N 2 0 281.444 1.754 10 0 CDAERP C[NH+](C)CCC[C@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000662326817 412895286 /nfs/dbraw/zinc/89/52/86/412895286.db2.gz CUWGCMJGBSOIRN-CVEARBPZSA-N 3 0 283.460 1.419 10 0 CDAERP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000634142460 379079677 /nfs/dbraw/zinc/07/96/77/379079677.db2.gz HXEKMIQBUOTZHX-CHWSQXEVSA-N 2 0 270.421 1.109 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000417004950 284797764 /nfs/dbraw/zinc/79/77/64/284797764.db2.gz IJARSHNPYGNFFC-CHWSQXEVSA-N 2 0 284.448 1.486 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000655922116 412925203 /nfs/dbraw/zinc/92/52/03/412925203.db2.gz ZXLYCUSPEBDULI-ZJUUUORDSA-N 2 0 296.337 1.002 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000233454014 284830746 /nfs/dbraw/zinc/83/07/46/284830746.db2.gz XRMPYXSUAGLKSN-IHRRRGAJSA-N 2 0 267.417 1.317 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(CCCO)C2)[C@@H]2CCC[C@@H]21 ZINC000453286029 252297781 /nfs/dbraw/zinc/29/77/81/252297781.db2.gz ILQKRDWDFIXISN-QZWWFDLISA-N 2 0 295.471 1.296 10 0 CDAERP CCCN(C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1CC[NH2+]C1 ZINC000655970787 412983875 /nfs/dbraw/zinc/98/38/75/412983875.db2.gz MEPOFQHLKFIGQG-MCIONIFRSA-N 2 0 282.432 1.110 10 0 CDAERP CC(C)[C@H]([NH3+])CCN(C)C(=O)C1([NH2+]C2CC2)CCC1 ZINC000662427298 413006458 /nfs/dbraw/zinc/00/64/58/413006458.db2.gz FCQWLMJCOTZWRB-CYBMUJFWSA-N 2 0 267.417 1.493 10 0 CDAERP CC[C@H]([NH2+]C)C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000662450073 413030056 /nfs/dbraw/zinc/03/00/56/413030056.db2.gz FQHUVJLIUSFXLP-AVGNSLFASA-N 2 0 255.406 1.364 10 0 CDAERP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H](C)[NH2+]C)o1 ZINC000647032370 390368045 /nfs/dbraw/zinc/36/80/45/390368045.db2.gz GNEDIACLVCLSBJ-NSHDSACASA-N 2 0 267.373 1.459 10 0 CDAERP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC000646943145 390303857 /nfs/dbraw/zinc/30/38/57/390303857.db2.gz BLCAOPBKBDRIGA-BPUTZDHNSA-N 2 0 291.439 1.556 10 0 CDAERP C[C@H]1CCN(C(=O)c2ccccc2CC[NH3+])C[C@H]1C[NH3+] ZINC000568151629 390441292 /nfs/dbraw/zinc/44/12/92/390441292.db2.gz HBIRZZBGPVFAIR-GXTWGEPZSA-N 2 0 275.396 1.245 10 0 CDAERP CCC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000236962299 390543096 /nfs/dbraw/zinc/54/30/96/390543096.db2.gz YDFYRUJQFNDQGM-CHWSQXEVSA-N 2 0 255.406 1.350 10 0 CDAERP OCCC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000358306255 390552466 /nfs/dbraw/zinc/55/24/66/390552466.db2.gz UEQUFQTYMUMHST-UONOGXRCSA-N 2 0 252.402 1.756 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)CCc1cncn1C ZINC000526003985 390875763 /nfs/dbraw/zinc/87/57/63/390875763.db2.gz XCHOVESUEVVBJE-ZIAGYGMSSA-N 2 0 292.427 1.732 10 0 CDAERP Cn1cnc(CCC[NH2+][C@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)n1 ZINC000647327639 390939998 /nfs/dbraw/zinc/93/99/98/390939998.db2.gz DCHIHXWKSWBDAA-MELADBBJSA-N 2 0 277.416 1.210 10 0 CDAERP C[N@H+](Cc1ccccc1-n1cncn1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000647487440 390968847 /nfs/dbraw/zinc/96/88/47/390968847.db2.gz ICIUVEJBDXIGTO-XYPWUTKMSA-N 2 0 297.406 1.982 10 0 CDAERP CN(C(=O)C[C@@H]1CCC[C@H]1[NH3+])[C@@H]1C[NH+]2CCC1CC2 ZINC000405252344 390971032 /nfs/dbraw/zinc/97/10/32/390971032.db2.gz LMMWVLNLUWMRDP-BFHYXJOUSA-N 2 0 265.401 1.057 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H](NCc2ccccc2OCC[NH+](C)C)C1 ZINC000647550157 390994264 /nfs/dbraw/zinc/99/42/64/390994264.db2.gz CRVLEHXAHDAMPE-GOEBONIOSA-N 2 0 291.439 1.715 10 0 CDAERP CC(C)C[C@H](C[NH3+])NC(=O)NCc1nccn1CC(C)C ZINC000417734781 390997055 /nfs/dbraw/zinc/99/70/55/390997055.db2.gz KJSHZUHSHJUBJR-CYBMUJFWSA-N 2 0 295.431 1.712 10 0 CDAERP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]CCc1cn2ccccc2n1 ZINC000415104317 391030332 /nfs/dbraw/zinc/03/03/32/391030332.db2.gz LBBPUOIPLCVBMK-KGLIPLIRSA-N 2 0 272.396 1.997 10 0 CDAERP C[NH2+]C[C@H]1CCCN1C(=O)NCc1nccn1CC(C)C ZINC000417741472 391004039 /nfs/dbraw/zinc/00/40/39/391004039.db2.gz UPSRYOBTLYBVQC-CYBMUJFWSA-N 2 0 293.415 1.433 10 0 CDAERP C[NH2+]C[C@@H]1CCCN1C(=O)NCc1nccn1CC(C)C ZINC000417741473 391004220 /nfs/dbraw/zinc/00/42/20/391004220.db2.gz UPSRYOBTLYBVQC-ZDUSSCGKSA-N 2 0 293.415 1.433 10 0 CDAERP C1CC1[C@H]1CC[C@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423514533 391053140 /nfs/dbraw/zinc/05/31/40/391053140.db2.gz TWHGLVDKTXCZLI-BHUNQDJPSA-N 2 0 277.456 1.981 10 0 CDAERP C[C@H](Cn1ccnc1)NC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000337367571 391128431 /nfs/dbraw/zinc/12/84/31/391128431.db2.gz MVJKGYVRNUPPMS-ZIAGYGMSSA-N 2 0 293.415 1.445 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000094647632 391160052 /nfs/dbraw/zinc/16/00/52/391160052.db2.gz PQDGPVBRGNFVMR-HZSPNIEDSA-N 2 0 269.433 1.467 10 0 CDAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C[NH+](C)C(C)C ZINC000175012898 391338186 /nfs/dbraw/zinc/33/81/86/391338186.db2.gz ULHYPAYWMFUUCS-UONOGXRCSA-N 2 0 267.417 1.412 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000648104817 391338790 /nfs/dbraw/zinc/33/87/90/391338790.db2.gz OLPSAHWYNXNKFL-RRFJBIMHSA-N 2 0 293.455 1.755 10 0 CDAERP CCCN(C(=O)NCC[N@H+]1CC=C(C)CC1)[C@@H]1CC[NH2+]C1 ZINC000418031434 391347456 /nfs/dbraw/zinc/34/74/56/391347456.db2.gz TXNUKGWVIKDXAT-OAHLLOKOSA-N 2 0 294.443 1.422 10 0 CDAERP CC(C)c1nc2c(n1C)CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC000178981070 391362485 /nfs/dbraw/zinc/36/24/85/391362485.db2.gz KJNUTCGETSGNQU-UHFFFAOYSA-N 2 0 276.428 1.901 10 0 CDAERP CS[C@H]1CC[C@H]1[NH2+]C1CCN(CCC(=O)N(C)C)CC1 ZINC000425342368 391466507 /nfs/dbraw/zinc/46/65/07/391466507.db2.gz HCEKWLKUSJQUFP-KGLIPLIRSA-N 2 0 299.484 1.413 10 0 CDAERP CS[C@H]1CC[C@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000425356821 391484060 /nfs/dbraw/zinc/48/40/60/391484060.db2.gz MQQJAYDURXPLPJ-KGLIPLIRSA-N 2 0 271.474 1.496 10 0 CDAERP CN(CC[NH3+])C(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000417845916 391516466 /nfs/dbraw/zinc/51/64/66/391516466.db2.gz SRXJQCYEPXTNOG-UHFFFAOYSA-N 2 0 275.396 1.259 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000418727143 391534270 /nfs/dbraw/zinc/53/42/70/391534270.db2.gz OZYBJMHRWBDGGC-OBJOEFQTSA-N 2 0 282.432 1.095 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000417830789 391499715 /nfs/dbraw/zinc/49/97/15/391499715.db2.gz RSVLHRZTJCXZHQ-NEPJUHHUSA-N 2 0 296.390 1.292 10 0 CDAERP CCC[C@H](C(=O)N1CC[C@H]([NH+]2CCCC2)C1)[NH+](C)C ZINC000161963301 391610118 /nfs/dbraw/zinc/61/01/18/391610118.db2.gz WMNQFANLBSWODB-UONOGXRCSA-N 2 0 267.417 1.413 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000417538203 391645767 /nfs/dbraw/zinc/64/57/67/391645767.db2.gz UBTIWUXKPGDSCD-KBPBESRZSA-N 2 0 296.459 1.643 10 0 CDAERP CN(C)c1nccc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)n1 ZINC000360869590 391675247 /nfs/dbraw/zinc/67/52/47/391675247.db2.gz DPDZMVOJALLZAO-STQMWFEESA-N 2 0 275.400 1.463 10 0 CDAERP C[C@H](C[NH3+])N(C)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000417652881 391719764 /nfs/dbraw/zinc/71/97/64/391719764.db2.gz AFNMYRWDYGRXBH-LLVKDONJSA-N 2 0 296.390 1.376 10 0 CDAERP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2ccc(-n3cncn3)cc2)C1 ZINC000415045524 391736415 /nfs/dbraw/zinc/73/64/15/391736415.db2.gz UEHORMLBRBRBLS-UONOGXRCSA-N 2 0 271.368 1.484 10 0 CDAERP C[C@@H](CCC(F)(F)F)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415045238 391736508 /nfs/dbraw/zinc/73/65/08/391736508.db2.gz TWAYXGNKOLUAOK-UWVGGRQHSA-N 2 0 254.296 1.686 10 0 CDAERP C[C@@H](CNC(=O)CC[C@H]1CCCC[N@@H+]1C)[NH+](C)C ZINC000350916581 391739027 /nfs/dbraw/zinc/73/90/27/391739027.db2.gz FIDCGCIHEKHBSH-QWHCGFSZSA-N 2 0 255.406 1.317 10 0 CDAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C[NH+]1CCC(C)CC1 ZINC000246368537 391881560 /nfs/dbraw/zinc/88/15/60/391881560.db2.gz LHBNFIDRKWCRMP-CVEARBPZSA-N 2 0 293.455 1.804 10 0 CDAERP CC1=C[C@H](C)C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000430262797 391906525 /nfs/dbraw/zinc/90/65/25/391906525.db2.gz MVZQHTOHUVVLDM-ZDUSSCGKSA-N 2 0 291.439 1.627 10 0 CDAERP C[C@H]1CCCCC[N@@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000334859285 391965937 /nfs/dbraw/zinc/96/59/37/391965937.db2.gz YBQLNQJBQWQQKH-UONOGXRCSA-N 2 0 267.417 1.448 10 0 CDAERP Cc1cc([C@H]2CCC[N@H+](C[C@@]3(C)CC[NH2+]C3)C2)[nH]n1 ZINC000261998025 392030216 /nfs/dbraw/zinc/03/02/16/392030216.db2.gz KYRMNAAMZUTFPC-ZFWWWQNUSA-N 2 0 262.401 1.897 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@](C)(O)C1CCCCC1 ZINC000423077184 392321084 /nfs/dbraw/zinc/32/10/84/392321084.db2.gz LMCPDGKFYNYGRO-HUUCEWRRSA-N 2 0 272.433 1.661 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCC1C[C@H](C)O[C@@H](C)C1 ZINC000423117112 392358071 /nfs/dbraw/zinc/35/80/71/392358071.db2.gz TUAPDTPTOJHPQG-YDHLFZDLSA-N 2 0 272.433 1.924 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1COc2ccc(F)cc2C1 ZINC000423126384 392365210 /nfs/dbraw/zinc/36/52/10/392365210.db2.gz ROVMLMCZWZVBIH-UONOGXRCSA-N 2 0 282.359 1.473 10 0 CDAERP COc1ccc(CN[C@H](C)c2c[nH+]ccc2N)c(OC)n1 ZINC000423131639 392368942 /nfs/dbraw/zinc/36/89/42/392368942.db2.gz BEMNCQSDQGZBMG-SNVBAGLBSA-N 2 0 288.351 1.757 10 0 CDAERP C[NH2+]CCC1CCN(C(=O)c2ccccc2CC[NH3+])CC1 ZINC000568153469 392374970 /nfs/dbraw/zinc/37/49/70/392374970.db2.gz HSHAPHZLMAWZEE-UHFFFAOYSA-N 2 0 289.423 1.650 10 0 CDAERP CC(C)(C)CNC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000629532945 392391461 /nfs/dbraw/zinc/39/14/61/392391461.db2.gz ZPZWQTKPXLKKBG-BETUJISGSA-N 2 0 267.417 1.080 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H](NCCC[NH2+]Cc2cccnc2)C1 ZINC000573862553 392453788 /nfs/dbraw/zinc/45/37/88/392453788.db2.gz OWPHUHNFKONRQT-HUUCEWRRSA-N 2 0 262.401 1.421 10 0 CDAERP C[C@H]1C[C@@H](Nc2ccc(N3CC[NH2+]CC3)cn2)CC[N@@H+]1C ZINC000423230743 392458281 /nfs/dbraw/zinc/45/82/81/392458281.db2.gz JWBDGEXOQKZZBX-KBPBESRZSA-N 2 0 289.427 1.386 10 0 CDAERP C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000645889376 392472622 /nfs/dbraw/zinc/47/26/22/392472622.db2.gz GYMUAHABXMBEKC-MFKMUULPSA-N 2 0 271.324 1.204 10 0 CDAERP COc1ccc([C@@H](N[C@H]2CCC[NH2+]C2)[C@H]2CCC[NH2+]2)cc1 ZINC000423304485 392500696 /nfs/dbraw/zinc/50/06/96/392500696.db2.gz OAHPBUHAWDPFTE-USXIJHARSA-N 2 0 289.423 1.830 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000423400229 392553125 /nfs/dbraw/zinc/55/31/25/392553125.db2.gz QBWPKMVFDXCKSB-HTOAHKCRSA-N 2 0 252.402 1.778 10 0 CDAERP C[NH+]1CCN(CCC[NH2+][C@@H]2CCCc3n[nH]cc32)CC1 ZINC000367618709 392668868 /nfs/dbraw/zinc/66/88/68/392668868.db2.gz UGAGJBZLEXKBNS-CQSZACIVSA-N 2 0 277.416 1.014 10 0 CDAERP CCC[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CC)[NH+](C)C ZINC000128096795 392641044 /nfs/dbraw/zinc/64/10/44/392641044.db2.gz DGPBQOSDCNDFLP-OLZOCXBDSA-N 2 0 255.406 1.317 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)NCC[NH2+]C1CC1 ZINC000646686667 392653854 /nfs/dbraw/zinc/65/38/54/392653854.db2.gz RJTQQCZESUGCDT-ZDUSSCGKSA-N 2 0 253.390 1.119 10 0 CDAERP O[C@@H](C[NH2+][C@@H]1CCCC12CC2)C[NH+]1CCCCC1 ZINC000657846367 413056575 /nfs/dbraw/zinc/05/65/75/413056575.db2.gz NKJMTDKUPLPEOT-UONOGXRCSA-N 2 0 252.402 1.756 10 0 CDAERP CC(C)C[C@H]([NH2+][C@@H]1C[C@H](C)[C@H]1C)C(=O)NCC[NH+](C)C ZINC000494803877 393108175 /nfs/dbraw/zinc/10/81/75/393108175.db2.gz JJWBWNKRTBEPHO-YJNKXOJESA-N 2 0 283.460 1.713 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000232645829 393314038 /nfs/dbraw/zinc/31/40/38/393314038.db2.gz NQXVDPDLXQARFM-CQSZACIVSA-N 2 0 281.444 1.754 10 0 CDAERP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCCSCC2)C1 ZINC000657870427 413063947 /nfs/dbraw/zinc/06/39/47/413063947.db2.gz DKXNNPVHSBJPHC-ZIAGYGMSSA-N 2 0 299.484 1.449 10 0 CDAERP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCCSCC2)CC1 ZINC000657873904 413066002 /nfs/dbraw/zinc/06/60/02/413066002.db2.gz VXYYJMIWRNVXDL-HNNXBMFYSA-N 2 0 285.501 1.889 10 0 CDAERP O=C(Nc1nccs1)[C@@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000178978970 140010716 /nfs/dbraw/zinc/01/07/16/140010716.db2.gz GACSDGZFLJEHGP-LBPRGKRZSA-N 2 0 294.424 1.546 10 0 CDAERP CC[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000189011800 140106523 /nfs/dbraw/zinc/10/65/23/140106523.db2.gz PMEUIAYXURBLKT-BPNCWPANSA-N 2 0 297.349 1.264 10 0 CDAERP CCCC[NH+]1CCC([NH2+][C@@H](CCC[NH3+])COC)CC1 ZINC000232959685 140226180 /nfs/dbraw/zinc/22/61/80/140226180.db2.gz CZQLECZTZHGEMP-HNNXBMFYSA-N 3 0 271.449 1.594 10 0 CDAERP C[NH2+]CC1CCN(C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000237337418 140252986 /nfs/dbraw/zinc/25/29/86/140252986.db2.gz JZXZCOLUZPEOIK-HUUCEWRRSA-N 2 0 281.444 1.742 10 0 CDAERP C[C@]1(C(=O)NCC2([NH3+])CCCCCC2)CC[NH2+]C1 ZINC000237751708 140258006 /nfs/dbraw/zinc/25/80/06/140258006.db2.gz JZMNAPYHCQCPGX-ZDUSSCGKSA-N 2 0 253.390 1.154 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000245409456 140265618 /nfs/dbraw/zinc/26/56/18/140265618.db2.gz MKNNCJVVVRKYKT-ZQDZILKHSA-N 2 0 281.444 1.706 10 0 CDAERP C[C@H]([NH3+])CC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000261761535 140384966 /nfs/dbraw/zinc/38/49/66/140384966.db2.gz IBCYSYJQCDUOAW-JTQLQIEISA-N 2 0 267.348 1.241 10 0 CDAERP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000261843104 140398276 /nfs/dbraw/zinc/39/82/76/140398276.db2.gz VVHCELCZTJDEKK-HUUCEWRRSA-N 2 0 279.428 1.448 10 0 CDAERP CCCC[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001663619814 1172735879 /nfs/dbraw/zinc/73/58/79/1172735879.db2.gz GHHSNZJIEIECHR-ZDUSSCGKSA-N 2 0 255.406 1.176 10 0 CDAERP CC(C)C[C@@H]([NH3+])C[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC000656193760 413088075 /nfs/dbraw/zinc/08/80/75/413088075.db2.gz RNDKBYGEDITQDY-CYBMUJFWSA-N 2 0 283.460 1.987 10 0 CDAERP Cc1c[nH+]ccc1NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656211216 413109214 /nfs/dbraw/zinc/10/92/14/413109214.db2.gz QAPAKBSWVPZKLH-MCIONIFRSA-N 2 0 263.385 1.722 10 0 CDAERP Cc1c[nH+]ccc1NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656211217 413109926 /nfs/dbraw/zinc/10/99/26/413109926.db2.gz QAPAKBSWVPZKLH-MELADBBJSA-N 2 0 263.385 1.722 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000662552209 413117321 /nfs/dbraw/zinc/11/73/21/413117321.db2.gz CNYTTXBYHIHBJJ-AVGNSLFASA-N 2 0 255.406 1.112 10 0 CDAERP CO[C@@](C)(CO)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000656266108 413147797 /nfs/dbraw/zinc/14/77/97/413147797.db2.gz CJKNVONXPYNNKC-OAHLLOKOSA-N 2 0 279.384 1.037 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000417678752 397634331 /nfs/dbraw/zinc/63/43/31/397634331.db2.gz JXCLLQAODZFTLN-HZSPNIEDSA-N 2 0 298.475 1.650 10 0 CDAERP COC1([C@@H](C)[NH2+]CCC2CC[NH+](C)CC2)CCOCC1 ZINC000453110608 292134342 /nfs/dbraw/zinc/13/43/42/292134342.db2.gz QOIJCKHRMMMWGS-CQSZACIVSA-N 2 0 284.444 1.892 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000061656225 289191877 /nfs/dbraw/zinc/19/18/77/289191877.db2.gz XUKLNYVBIFRIIK-AVGNSLFASA-N 2 0 253.390 1.057 10 0 CDAERP CC(C)NC(=O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000181270121 148186963 /nfs/dbraw/zinc/18/69/63/148186963.db2.gz OCWFFMVPKJITKU-YHWZYXNKSA-N 2 0 253.390 1.116 10 0 CDAERP [NH3+]CCc1nc(C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)cs1 ZINC000194841814 148674221 /nfs/dbraw/zinc/67/42/21/148674221.db2.gz GKTOZNGJBVLMJY-SNVBAGLBSA-N 2 0 294.424 1.001 10 0 CDAERP C[C@@]1(C[NH+]2CCC(c3ccnn3CCO)CC2)CC[NH2+]C1 ZINC000262020607 149002005 /nfs/dbraw/zinc/00/20/05/149002005.db2.gz NCFBTOCZOKSHSM-MRXNPFEDSA-N 2 0 292.427 1.054 10 0 CDAERP CC(C)(C)[C@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C[C@@H]1O ZINC000262141305 149026185 /nfs/dbraw/zinc/02/61/85/149026185.db2.gz ZEXKZCUZWRKIJA-YDHLFZDLSA-N 2 0 254.418 1.715 10 0 CDAERP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000262535701 149073714 /nfs/dbraw/zinc/07/37/14/149073714.db2.gz JRNHFVNGLWHIQF-NWANDNLSSA-N 2 0 281.444 1.550 10 0 CDAERP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@H](C)CN3CC[NH+](C)CC3)C[C@H]2C1 ZINC000424290580 286114101 /nfs/dbraw/zinc/11/41/01/286114101.db2.gz BDTAGXRRZFHPQQ-UUAJXVIYSA-N 2 0 295.471 1.416 10 0 CDAERP O=C(c1ccc2c[nH+]cn2c1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000335030930 150205301 /nfs/dbraw/zinc/20/53/01/150205301.db2.gz DCQNBNJVULOVQU-CQSZACIVSA-N 2 0 270.336 1.301 10 0 CDAERP [NH3+][C@@H]1CN(C(=O)C2([NH3+])CCC2)CC[C@H]1c1ccc(F)cc1 ZINC000335060707 150244711 /nfs/dbraw/zinc/24/47/11/150244711.db2.gz IWCPRSUREUKTQY-UONOGXRCSA-N 2 0 291.370 1.350 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CC[NH2+][C@@H](C)C2)cc1 ZINC000335198469 150397792 /nfs/dbraw/zinc/39/77/92/150397792.db2.gz XVNQIJPGIZJHBK-NWDGAFQWSA-N 2 0 276.384 1.210 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+]2CCC1CC2 ZINC000335786049 151018305 /nfs/dbraw/zinc/01/83/05/151018305.db2.gz ODYBYMKGSJFDFO-CQSZACIVSA-N 2 0 265.401 1.167 10 0 CDAERP CC[NH+]1CCC(NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)CC1 ZINC000336031157 151210885 /nfs/dbraw/zinc/21/08/85/151210885.db2.gz VBBIDKLIEDAEMN-OAHLLOKOSA-N 2 0 292.427 1.126 10 0 CDAERP COc1cc2c(cc1F)CC[C@H]2[NH2+]CCOCC[NH+](C)C ZINC000343461195 152189937 /nfs/dbraw/zinc/18/99/37/152189937.db2.gz WDKKGVCHKBLWAZ-OAHLLOKOSA-N 2 0 296.386 1.989 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCO[C@@H]2CC2(F)F)[C@@H]2CCC[C@@H]21 ZINC000658169389 413262008 /nfs/dbraw/zinc/26/20/08/413262008.db2.gz DMMKZCVVJCAOLB-ZDEQEGDKSA-N 2 0 274.355 1.873 10 0 CDAERP CC[NH+]1CCC(n2nccc2NC(=O)CC2([NH3+])CC2)CC1 ZINC000662668274 413280394 /nfs/dbraw/zinc/28/03/94/413280394.db2.gz CXJGKPSBVTWMOW-UHFFFAOYSA-N 2 0 291.399 1.360 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC[NH2+]1 ZINC000662669454 413281614 /nfs/dbraw/zinc/28/16/14/413281614.db2.gz ZLBDRQFJYGZDHF-SOUVJXGZSA-N 2 0 293.455 1.898 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654438379 413285871 /nfs/dbraw/zinc/28/58/71/413285871.db2.gz BQWFJAJBARYJDK-KFWWJZLASA-N 2 0 296.459 1.500 10 0 CDAERP CC(C)(C)CC[NH+]1CCN(C(=O)CC2([NH3+])CC2)CC1 ZINC000662690023 413319831 /nfs/dbraw/zinc/31/98/31/413319831.db2.gz YAROBXRHCYTCBP-UHFFFAOYSA-N 2 0 267.417 1.448 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]CCc2cncc(C)n2)[C@@H](C)C1 ZINC000658260805 413325721 /nfs/dbraw/zinc/32/57/21/413325721.db2.gz FLLAIURAEMJCQI-WFASDCNBSA-N 2 0 262.401 1.647 10 0 CDAERP C[C@H]1C[C@@H](NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C[N@@H+]1C1CC1 ZINC000654480884 413342269 /nfs/dbraw/zinc/34/22/69/413342269.db2.gz ASNHJKBTCHELNO-RMRHIDDWSA-N 2 0 294.443 1.251 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)[NH2+]C(C)(C)CC)C1 ZINC000355650990 157166602 /nfs/dbraw/zinc/16/66/02/157166602.db2.gz IASDHSWPLKSBJT-QWHCGFSZSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)N1CC(C)(C)[C@H]1c1nccn1C ZINC000662759984 413450444 /nfs/dbraw/zinc/45/04/44/413450444.db2.gz UYESYWUVQQPNBR-NWDGAFQWSA-N 2 0 294.399 1.082 10 0 CDAERP CC[C@@H]1CN(CCC[NH+](CC)CC)CC[N@@H+]1C[C@@H](C)O ZINC000191483748 287193369 /nfs/dbraw/zinc/19/33/69/287193369.db2.gz CCBCXROHZJJEKS-HZPDHXFCSA-N 2 0 285.476 1.495 10 0 CDAERP CC[NH2+]CCC[NH2+]CCCCCCCC[NH2+]CCC[NH3+] ZINC000003790046 169912607 /nfs/dbraw/zinc/91/26/07/169912607.db2.gz WNRBAMWYHGVWDQ-UHFFFAOYSA-N 4 0 286.508 1.855 10 0 CDAERP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)C(=O)N(C)C ZINC000020309000 171143399 /nfs/dbraw/zinc/14/33/99/171143399.db2.gz UPYPEMXOBLMMTK-QWHCGFSZSA-N 2 0 257.422 1.563 10 0 CDAERP C[C@H]1C[N@H+](CCCC(=O)Nc2ccc(C[NH3+])cc2)CCO1 ZINC000022154759 171361657 /nfs/dbraw/zinc/36/16/57/171361657.db2.gz XYOSHPIWBXKVGL-ZDUSSCGKSA-N 2 0 291.395 1.585 10 0 CDAERP COc1ccc([C@@H](C[NH3+])N(C)C2CC[NH+](C)CC2)cc1 ZINC000022175352 171370524 /nfs/dbraw/zinc/37/05/24/171370524.db2.gz DVEVSSIFGSWDLL-MRXNPFEDSA-N 2 0 277.412 1.721 10 0 CDAERP COc1cccc([C@H](C[NH3+])N(C)C2CC[NH+](C)CC2)c1 ZINC000022177987 171371327 /nfs/dbraw/zinc/37/13/27/171371327.db2.gz GAOMPTJXOWBWQW-INIZCTEOSA-N 2 0 277.412 1.721 10 0 CDAERP CC[NH+]1CCN([C@H](C[NH3+])c2c(F)cccc2F)CC1 ZINC000022221610 171378436 /nfs/dbraw/zinc/37/84/36/171378436.db2.gz NOWDRDVKBINGHH-CYBMUJFWSA-N 2 0 269.339 1.602 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000653211207 412140875 /nfs/dbraw/zinc/14/08/75/412140875.db2.gz QGQJSULAUBONNO-OAHLLOKOSA-N 2 0 261.369 1.022 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000662788118 413501450 /nfs/dbraw/zinc/50/14/50/413501450.db2.gz JNKSKEFKECFFSX-HNNXBMFYSA-N 2 0 299.459 1.462 10 0 CDAERP [NH3+]C1(CC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CC1 ZINC000662796914 413516401 /nfs/dbraw/zinc/51/64/01/413516401.db2.gz STCYRTXTWSHHLJ-UHFFFAOYSA-N 2 0 293.455 1.982 10 0 CDAERP C[C@H](CCNC(=O)N(C)CC1C[NH+](C)C1)[NH+]1CCCCC1 ZINC000664643598 413568252 /nfs/dbraw/zinc/56/82/52/413568252.db2.gz PRNVYUSQQHPGHK-CQSZACIVSA-N 2 0 296.459 1.454 10 0 CDAERP CN1c2ccccc2C[C@@H]([NH2+]CC2CC[NH2+]CC2)C1=O ZINC000656787939 413670297 /nfs/dbraw/zinc/67/02/97/413670297.db2.gz ZXHDANDBFCVPSK-CQSZACIVSA-N 2 0 273.380 1.163 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000659460065 413847763 /nfs/dbraw/zinc/84/77/63/413847763.db2.gz KAENPONDHSZBJY-YNEHKIRRSA-N 2 0 270.421 1.142 10 0 CDAERP CCCC[C@H](C[NH3+])NC(=O)N[C@H](C)c1nccn1C ZINC000659522321 413920616 /nfs/dbraw/zinc/92/06/16/413920616.db2.gz BNUGNYFUXYYURA-GHMZBOCLSA-N 2 0 267.377 1.298 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000665274666 414008969 /nfs/dbraw/zinc/00/89/69/414008969.db2.gz VMMNRCXVJOAHOD-ARFHVFGLSA-N 2 0 295.471 1.737 10 0 CDAERP CCS(=O)(=O)C1(C[NH2+][C@@H](C)CCCC[NH3+])CC1 ZINC000665275180 414010347 /nfs/dbraw/zinc/01/03/47/414010347.db2.gz DUHSQEXCXTUTDK-NSHDSACASA-N 2 0 262.419 1.061 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)NCC[C@@H]([NH3+])C(C)C)C1 ZINC000659611553 414016022 /nfs/dbraw/zinc/01/60/22/414016022.db2.gz RQJHVOUZDWNESP-QWHCGFSZSA-N 2 0 270.421 1.143 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NCc1ccc(C[NH3+])cc1F ZINC000659558369 413966689 /nfs/dbraw/zinc/96/66/89/413966689.db2.gz DZVIAQAFAONBBG-CQSZACIVSA-N 2 0 296.390 1.457 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000661362798 414023401 /nfs/dbraw/zinc/02/34/01/414023401.db2.gz WHXYVEPLOSMFDJ-MCIONIFRSA-N 2 0 296.459 1.499 10 0 CDAERP C[NH2+]C[C@H](C)NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000659637401 414050591 /nfs/dbraw/zinc/05/05/91/414050591.db2.gz FJYGYOCNOJCOPW-ZDUSSCGKSA-N 2 0 282.432 1.112 10 0 CDAERP Cc1ccsc1C[NH2+]CCN1CC[NH+](C)CC1 ZINC000037496807 173235715 /nfs/dbraw/zinc/23/57/15/173235715.db2.gz KOUVUNIHEHWKBH-UHFFFAOYSA-N 2 0 253.415 1.394 10 0 CDAERP C[NH+]1CCN(CC[NH2+][C@H]2CCc3ccccc3C2)CC1 ZINC000037496848 173236068 /nfs/dbraw/zinc/23/60/68/173236068.db2.gz REUGMFNYEICJKM-KRWDZBQOSA-N 2 0 273.424 1.381 10 0 CDAERP CCOCCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657285278 414106420 /nfs/dbraw/zinc/10/64/20/414106420.db2.gz BAVSNEMNUCARMS-UHFFFAOYSA-N 2 0 260.341 1.784 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCCC[C@@H]2S(C)(=O)=O)C1 ZINC000655805189 414197957 /nfs/dbraw/zinc/19/79/57/414197957.db2.gz KJXOCASKLYSLLD-RQJABVFESA-N 2 0 288.457 1.272 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000655804255 414199256 /nfs/dbraw/zinc/19/92/56/414199256.db2.gz QXEZUVKZJNAFCN-QRJUGERDSA-N 3 0 265.445 1.789 10 0 CDAERP C[C@H](N[C@H]1CCNC1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000663457361 414265898 /nfs/dbraw/zinc/26/58/98/414265898.db2.gz JUHYIWXEBFILGK-BPUTZDHNSA-N 2 0 287.407 1.375 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cc2n(n1)CCC2 ZINC000657389623 414273654 /nfs/dbraw/zinc/27/36/54/414273654.db2.gz NDWNOLHGJQFDRX-OAHLLOKOSA-N 2 0 280.416 1.276 10 0 CDAERP COC[C@@H](C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)OC ZINC000659944553 414282007 /nfs/dbraw/zinc/28/20/07/414282007.db2.gz MHOOEZMHURCQOF-HUUCEWRRSA-N 2 0 270.417 1.598 10 0 CDAERP CC[C@H]1C[C@@H]([NH2+]Cc2ccnc(OCC[NH+](C)C)c2)CO1 ZINC000657420145 414307226 /nfs/dbraw/zinc/30/72/26/414307226.db2.gz AYRXYNROIKGCPR-CABCVRRESA-N 2 0 293.411 1.679 10 0 CDAERP c1c(C[NH2+]CC2CC[NH+](C3CC3)CC2)nn2c1CCC2 ZINC000657450235 414338392 /nfs/dbraw/zinc/33/83/92/414338392.db2.gz OFZQHDWBFHQUCY-UHFFFAOYSA-N 2 0 274.412 1.793 10 0 CDAERP CC[C@H]1C[C@@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)CO1 ZINC000657459088 414354482 /nfs/dbraw/zinc/35/44/82/414354482.db2.gz SQVJMEBTHSVQOR-KGLIPLIRSA-N 2 0 269.433 1.170 10 0 CDAERP FC(F)OCCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657462083 414359079 /nfs/dbraw/zinc/35/90/79/414359079.db2.gz OQUQVGGGHSJNBA-UHFFFAOYSA-N 2 0 282.294 1.986 10 0 CDAERP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cn(C3CCC3)nn2)C1 ZINC000657491921 414389226 /nfs/dbraw/zinc/38/92/26/414389226.db2.gz NFXOKNCKSPMCNA-ZDUSSCGKSA-N 2 0 277.416 1.825 10 0 CDAERP C[NH+](C)C1CCC([NH2+]Cc2cn(C3CCC3)nn2)CC1 ZINC000657495836 414394075 /nfs/dbraw/zinc/39/40/75/414394075.db2.gz YLBFTPKHQAFCEF-UHFFFAOYSA-N 2 0 277.416 1.966 10 0 CDAERP c1cc(C[NH2+][C@@H]2CCn3ccnc3C2)n(-c2cc[nH+]cc2)n1 ZINC000657439983 414329031 /nfs/dbraw/zinc/32/90/31/414329031.db2.gz JKQUGSQDLMAXAY-CYBMUJFWSA-N 2 0 294.362 1.568 10 0 CDAERP COC[C@H](CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)OC ZINC000657552143 414436137 /nfs/dbraw/zinc/43/61/37/414436137.db2.gz BDIGGTYNWQYHNR-IHRRRGAJSA-N 2 0 256.390 1.254 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)N[C@H]1CCC[NH+](C)C1 ZINC000663775150 414453931 /nfs/dbraw/zinc/45/39/31/414453931.db2.gz DOXUBFZXNAKVLU-ZDUSSCGKSA-N 2 0 284.448 1.500 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CO1 ZINC000657501032 414401810 /nfs/dbraw/zinc/40/18/10/414401810.db2.gz UTRWSZJRGRGNCO-NWDGAFQWSA-N 2 0 258.325 1.534 10 0 CDAERP O[C@@H]1CC[N@@H+](C2CC[NH+](CCC[C@@H]3CCOC3)CC2)C1 ZINC000662149353 414538386 /nfs/dbraw/zinc/53/83/86/414538386.db2.gz NMHGNJBQKRCUPJ-GDBMZVCRSA-N 2 0 282.428 1.334 10 0 CDAERP CC/C=C/CC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662152344 414540306 /nfs/dbraw/zinc/54/03/06/414540306.db2.gz RXZCNPVLNVPAQB-BWPKMQGJSA-N 2 0 252.402 1.874 10 0 CDAERP Cn1cncc1CCC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000662277458 414607365 /nfs/dbraw/zinc/60/73/65/414607365.db2.gz PSVNXFPBQQPTNP-OAHLLOKOSA-N 2 0 262.401 1.428 10 0 CDAERP COc1cccc([C@@H](C)[NH2+]C[C@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662283944 414613613 /nfs/dbraw/zinc/61/36/13/414613613.db2.gz DQTDWLBYGVRGOX-IUODEOHRSA-N 2 0 276.380 1.867 10 0 CDAERP COC[C@H](C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)OC ZINC000662284371 414614107 /nfs/dbraw/zinc/61/41/07/414614107.db2.gz VRVKKOKBFVPOBI-STQMWFEESA-N 2 0 256.390 1.112 10 0 CDAERP O=C([C@H]1CCC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1)N1CC[NH2+]CC1 ZINC000662242360 414581144 /nfs/dbraw/zinc/58/11/44/414581144.db2.gz CXQRXXYEQCQXBB-JONQDZQNSA-N 2 0 291.439 1.176 10 0 CDAERP COCCCC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319279 414637582 /nfs/dbraw/zinc/63/75/82/414637582.db2.gz GDUDGXLIYKHBCG-CQSZACIVSA-N 2 0 258.406 1.456 10 0 CDAERP COc1cccc([C@@]2(C)CC[N@H+](CCOCC[NH3+])C2)c1 ZINC000662311376 414632194 /nfs/dbraw/zinc/63/21/94/414632194.db2.gz SFFQQULIHIEONO-INIZCTEOSA-N 2 0 278.396 1.634 10 0 CDAERP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCCC[NH3+])CC1 ZINC000437779659 287288469 /nfs/dbraw/zinc/28/84/69/287288469.db2.gz BVSFMMAGTHASGW-HIFRSBDPSA-N 2 0 253.434 1.968 10 0 CDAERP C[C@H]1CC[C@@H](C(=O)N2CCC([NH+]3CCCCC3)CC2)C[NH2+]1 ZINC000040694383 174377839 /nfs/dbraw/zinc/37/78/39/174377839.db2.gz QIJSTKNHXYLDSA-LSDHHAIUSA-N 2 0 293.455 1.851 10 0 CDAERP C[NH2+]CCCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000040694460 174378142 /nfs/dbraw/zinc/37/81/42/174378142.db2.gz LAFRTDJETFPORH-UHFFFAOYSA-N 3 0 253.434 1.936 10 0 CDAERP C[C@@H]([NH3+])CC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000040806120 174410452 /nfs/dbraw/zinc/41/04/52/174410452.db2.gz JZAGJQYKUJSLID-NEPJUHHUSA-N 2 0 265.357 1.270 10 0 CDAERP C[NH+](C)CCNc1ccc(CNC(=O)CC[NH+](C)C)cc1 ZINC000041536357 174566310 /nfs/dbraw/zinc/56/63/10/174566310.db2.gz GDNZZQXSCBYDIV-UHFFFAOYSA-N 2 0 292.427 1.228 10 0 CDAERP CC(C)[NH+]1CCN(CCC[C@H]2CCC[NH2+]C2)CC1 ZINC000043591907 175074286 /nfs/dbraw/zinc/07/42/86/175074286.db2.gz RVWJACPSIDBBDR-OAHLLOKOSA-N 2 0 253.434 1.792 10 0 CDAERP CC[NH+]1CCN(C[C@@H]([NH2+]C)c2cccc(OC)c2)CC1 ZINC000043805795 175107635 /nfs/dbraw/zinc/10/76/35/175107635.db2.gz KUHKMVVANVZNDU-MRXNPFEDSA-N 2 0 277.412 1.593 10 0 CDAERP C[NH2+][C@@H]1c2ccccc2C[C@@H]1N1CCC[N@H+](C)CC1 ZINC000043818114 175113173 /nfs/dbraw/zinc/11/31/73/175113173.db2.gz QICSWRWONOCFLE-JKSUJKDBSA-N 2 0 259.397 1.509 10 0 CDAERP CCC[NH2+][C@H]1CCOC[C@@H]1N(C)C1CC[NH+](CC)CC1 ZINC000043978569 175133370 /nfs/dbraw/zinc/13/33/70/175133370.db2.gz PNUWVCASHLFASW-HOTGVXAUSA-N 2 0 283.460 1.560 10 0 CDAERP CC[NH+]1CCC(N(C)[C@H]2CCCC[C@@H]2[NH2+]C)CC1 ZINC000043978137 175133448 /nfs/dbraw/zinc/13/34/48/175133448.db2.gz DGGHHYJWBVFKRC-GJZGRUSLSA-N 2 0 253.434 1.933 10 0 CDAERP CC(C)CN1CCO[C@@H](C[NH+]2CCC(C[NH3+])CC2)C1 ZINC000044513754 175189262 /nfs/dbraw/zinc/18/92/62/175189262.db2.gz HRQMXEVQMVFETO-HNNXBMFYSA-N 2 0 269.433 1.014 10 0 CDAERP CCOC(=O)C[C@@H](C)[NH2+]CC1CC[NH+](CC)CC1 ZINC000044518505 175190954 /nfs/dbraw/zinc/19/09/54/175190954.db2.gz NFXZZCZKYMJPJX-GFCCVEGCSA-N 2 0 256.390 1.650 10 0 CDAERP CC[NH+]1CCC(C[N@@H+]2CCC[NH2+]C[C@@H](C)C2)CC1 ZINC000044526851 175192251 /nfs/dbraw/zinc/19/22/51/175192251.db2.gz QGQKCSJXRHWJGU-CQSZACIVSA-N 3 0 253.434 1.650 10 0 CDAERP C[C@@H]1CCN(C[C@@H]2CCC[N@H+](C)C2)CC[C@@H](C)[NH2+]1 ZINC000044538711 175199672 /nfs/dbraw/zinc/19/96/72/175199672.db2.gz HUJFQXHSTUHYRZ-RBSFLKMASA-N 2 0 253.434 1.791 10 0 CDAERP C[C@H]([NH2+]C[C@H]1CCCCN1C)C1CC[NH+](C)CC1 ZINC000044561411 175204918 /nfs/dbraw/zinc/20/49/18/175204918.db2.gz QIUKFWQISJNDHX-DZGCQCFKSA-N 2 0 253.434 1.791 10 0 CDAERP C[C@@H]1CCC[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2C)[NH2+]1 ZINC000044564933 175207776 /nfs/dbraw/zinc/20/77/76/175207776.db2.gz BOXXAJZVTODOMR-AGIUHOORSA-N 2 0 253.390 1.118 10 0 CDAERP CCC[NH2+]CC(=O)NC[C@@H](C(CC)CC)[NH+](C)C ZINC000044651332 175224761 /nfs/dbraw/zinc/22/47/61/175224761.db2.gz OWXOYJLQPXLWOF-ZDUSSCGKSA-N 2 0 257.422 1.469 10 0 CDAERP C[C@H]1C[NH2+]C[C@H](C)CN([C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000044678658 175227967 /nfs/dbraw/zinc/22/79/67/175227967.db2.gz CXPZMFMKVRZRJS-KCQAQPDRSA-N 2 0 251.418 1.401 10 0 CDAERP [NH3+]CC1(C(=O)N[C@@H]2C[NH+]3CCC2CC3)CCCCCC1 ZINC000044753283 175245653 /nfs/dbraw/zinc/24/56/53/175245653.db2.gz OWZWOGFSSOKDHF-CQSZACIVSA-N 2 0 279.428 1.496 10 0 CDAERP C[C@@H](CNC(=O)C[C@@H]1CCCC[NH2+]1)[NH+]1CCCCC1 ZINC000045010307 175289498 /nfs/dbraw/zinc/28/94/98/175289498.db2.gz MXXQEFXCSWQFLB-KBPBESRZSA-N 2 0 267.417 1.509 10 0 CDAERP C[C@H](CNC(=O)Nc1ccc(C[NH3+])cc1)[NH+](C)C ZINC000045110790 175309832 /nfs/dbraw/zinc/30/98/32/175309832.db2.gz ZHSACXJVHZBKTR-SNVBAGLBSA-N 2 0 250.346 1.217 10 0 CDAERP CCC[NH2+][C@@H]1CCN(C[C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000045135360 175312718 /nfs/dbraw/zinc/31/27/18/175312718.db2.gz JYLTUHWCBPPVRJ-LSDHHAIUSA-N 2 0 253.434 1.791 10 0 CDAERP CC(C)[NH2+][C@](C)(CCCC[N@@H+]1CCCN(C)CC1)C(N)=O ZINC000045380371 175369489 /nfs/dbraw/zinc/36/94/89/175369489.db2.gz NHMHCOKQHXGKKI-MRXNPFEDSA-N 2 0 298.475 1.036 10 0 CDAERP CCC[NH2+][C@](C)(CCCC[N@@H+]1CCOC[C@@H]1CC)C(N)=O ZINC000045418934 175377556 /nfs/dbraw/zinc/37/75/56/175377556.db2.gz PUBMWHJILGJJPX-GOEBONIOSA-N 2 0 299.459 1.511 10 0 CDAERP CCOC(=O)[C@](C)([NH3+])CCCC[N@H+](CC)[C@@H](C)COC ZINC000045421106 175380154 /nfs/dbraw/zinc/38/01/54/175380154.db2.gz HUVXRCWOAPZLGU-DZGCQCFKSA-N 2 0 288.432 1.794 10 0 CDAERP CCC[NH2+][C@H]1CCCN([C@H](C[NH+](C)C)C(C)C)C1=O ZINC000071034262 176024002 /nfs/dbraw/zinc/02/40/02/176024002.db2.gz IXQHMFOKVIVPNH-UONOGXRCSA-N 2 0 269.433 1.563 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)N1CCC[C@H]([NH2+]C2CC2)C1=O ZINC000071037396 176025978 /nfs/dbraw/zinc/02/59/78/176025978.db2.gz BQBRNRMIMLXXQE-HIFRSBDPSA-N 2 0 279.428 1.604 10 0 CDAERP C[C@@H]([NH3+])[C@H](c1ccccc1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071187937 176062081 /nfs/dbraw/zinc/06/20/81/176062081.db2.gz ZIIASMXXFZEVET-IIAWOOMASA-N 2 0 261.413 1.958 10 0 CDAERP C[NH2+]Cc1cnc(N(C)C[C@@H]2CC[N@H+](C)C2)s1 ZINC000071192500 176074548 /nfs/dbraw/zinc/07/45/48/176074548.db2.gz KAXSOLQWLXIRKT-SNVBAGLBSA-N 2 0 254.403 1.250 10 0 CDAERP CCC[NH2+][C@@H]1CCCN([C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000071200786 176077591 /nfs/dbraw/zinc/07/75/91/176077591.db2.gz GZWSVOJQMGEYCP-UKRRQHHQSA-N 2 0 251.418 1.687 10 0 CDAERP C[N@H+](CCNC(=O)[C@](C)([NH3+])C1CC1)C1CCCC1 ZINC000071378699 176143707 /nfs/dbraw/zinc/14/37/07/176143707.db2.gz MKQLOFCBPVXPCK-CQSZACIVSA-N 2 0 253.390 1.104 10 0 CDAERP CC(C)(O)C[NH+]1CCN(C[C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000071381765 176145411 /nfs/dbraw/zinc/14/54/11/176145411.db2.gz MZLNAGDDMNYKBC-CABCVRRESA-N 2 0 283.460 1.283 10 0 CDAERP C[NH+](C)C[C@H](CC[NH3+])c1ccc(S(C)(=O)=O)cc1 ZINC000076710384 177067170 /nfs/dbraw/zinc/06/71/70/177067170.db2.gz CBWNPAVWORWGEA-LBPRGKRZSA-N 2 0 270.398 1.084 10 0 CDAERP COC(=O)C1(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)CC1 ZINC000258983157 270309522 /nfs/dbraw/zinc/30/95/22/270309522.db2.gz MHGWSGYQRDGTIO-LBPRGKRZSA-N 2 0 254.374 1.213 10 0 CDAERP CCC[C@@H](C(=O)NC1CC[NH+](CC2CC2)CC1)[NH+](C)C ZINC000179554660 260054911 /nfs/dbraw/zinc/05/49/11/260054911.db2.gz DEMYUAZQJXIZEQ-HNNXBMFYSA-N 2 0 281.444 1.707 10 0 CDAERP CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001666988472 1173217685 /nfs/dbraw/zinc/21/76/85/1173217685.db2.gz YLMFDPFAJKSKDQ-CHWSQXEVSA-N 2 0 257.422 1.419 10 0 CDAERP O=C([C@H]1C[C@@]12CCC[NH2+]C2)N1CCC(c2c[nH]cn2)CC1 ZINC000655448574 423873200 /nfs/dbraw/zinc/87/32/00/423873200.db2.gz PXGDAYZEYQUPDQ-CZUORRHYSA-N 2 0 288.395 1.505 10 0 CDAERP C[C@H]1CC2(C[N@@H+]1CCO[C@@H]1CC1(F)F)CC[NH2+]CC2 ZINC000662283049 423882363 /nfs/dbraw/zinc/88/23/63/423882363.db2.gz KCEBQCGYZSBWFC-NWDGAFQWSA-N 2 0 274.355 1.875 10 0 CDAERP FC1(F)C[C@@H]1OCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000662272977 423832416 /nfs/dbraw/zinc/83/24/16/423832416.db2.gz JDXDJCSGEAQIRG-TUAOUCFPSA-N 2 0 260.328 1.342 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+]C[C@@H]2CCSC2)CC1 ZINC000663506878 423899604 /nfs/dbraw/zinc/89/96/04/423899604.db2.gz WSSNALAFWHPXGO-ZDUSSCGKSA-N 2 0 299.484 1.320 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000659536929 423981563 /nfs/dbraw/zinc/98/15/63/423981563.db2.gz PPLYQMDDJTUMJF-UPJWGTAASA-N 2 0 282.432 1.156 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000652217086 424073983 /nfs/dbraw/zinc/07/39/83/424073983.db2.gz OJZXBBBZZIMNFV-IUODEOHRSA-N 2 0 290.411 1.346 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000652225029 424084104 /nfs/dbraw/zinc/08/41/04/424084104.db2.gz NSPHPVJDXPBVAP-OAHLLOKOSA-N 2 0 296.459 1.500 10 0 CDAERP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCCC1(C[NH3+])CC1 ZINC000652234887 424111573 /nfs/dbraw/zinc/11/15/73/424111573.db2.gz NVOATUDPVLRPFG-UONOGXRCSA-N 2 0 294.443 1.384 10 0 CDAERP CCCN(CC[NH+]1CCCC1)C(=O)NCCC1(C[NH3+])CC1 ZINC000652235025 424112377 /nfs/dbraw/zinc/11/23/77/424112377.db2.gz SZJXMSVPEBDBBL-UHFFFAOYSA-N 2 0 296.459 1.633 10 0 CDAERP C[N@@H+]1CCC[C@H]2CN(C(=O)NCCC3(C[NH3+])CC3)CC[C@@H]21 ZINC000652239320 424119778 /nfs/dbraw/zinc/11/97/78/424119778.db2.gz KEOXVXLXAGMTNE-KBPBESRZSA-N 2 0 294.443 1.241 10 0 CDAERP C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655515439 424162789 /nfs/dbraw/zinc/16/27/89/424162789.db2.gz JYUPCNJGDPVOMR-YUMQZZPRSA-N 2 0 269.311 1.016 10 0 CDAERP O=C([C@@H]1CC[C@@H](C2CC2)[NH2+]1)N1CCC([NH2+]CC2CC2)CC1 ZINC000653053762 424177807 /nfs/dbraw/zinc/17/78/07/424177807.db2.gz IJZJRMXJRDCDLE-HOTGVXAUSA-N 2 0 291.439 1.508 10 0 CDAERP O=C(NCCC1CC[NH2+]CC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000652323591 424237159 /nfs/dbraw/zinc/23/71/59/424237159.db2.gz KXJFADNNENFGRJ-MRXNPFEDSA-N 2 0 294.443 1.161 10 0 CDAERP C[C@H](CCNC(=O)NC1CCC(C[NH+](C)C)CC1)[NH+](C)C ZINC000664506397 424278950 /nfs/dbraw/zinc/27/89/50/424278950.db2.gz XAIHURZSLXZEDT-WLYUNCDWSA-N 2 0 298.475 1.746 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653116614 424298871 /nfs/dbraw/zinc/29/88/71/424298871.db2.gz MTWDKLCRGNORQL-XRGAULLZSA-N 2 0 293.455 1.896 10 0 CDAERP CCO[C@@H]1C[N@H+](CCc2ccc(C)cc2)C[C@H]1C[NH3+] ZINC000652356881 424304197 /nfs/dbraw/zinc/30/41/97/424304197.db2.gz MYRDJJJJJBDXEO-HZPDHXFCSA-N 2 0 262.397 1.833 10 0 CDAERP O=C([C@@H]1CCC[NH2+]CC1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000653125886 424317759 /nfs/dbraw/zinc/31/77/59/424317759.db2.gz AWKQIPYKCBOZAY-RBSFLKMASA-N 2 0 279.428 1.367 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655691612 424403128 /nfs/dbraw/zinc/40/31/28/424403128.db2.gz WXXZZVFPNCDKHX-RDJZCZTQSA-N 2 0 295.471 1.704 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000659623325 424428720 /nfs/dbraw/zinc/42/87/20/424428720.db2.gz ZHPODMBGAXRDBJ-CYBMUJFWSA-N 2 0 270.421 1.095 10 0 CDAERP CC(C)([NH3+])c1cc(C(=O)N2CCC[C@@H](CC[NH3+])C2)on1 ZINC000662775059 424438943 /nfs/dbraw/zinc/43/89/43/424438943.db2.gz UAZQGAJCKWJSNF-JTQLQIEISA-N 2 0 280.372 1.069 10 0 CDAERP C[C@H](C[NH2+][C@H]1CC[C@@H](C)SC1)N1CC[NH+](C)CC1 ZINC000655715060 424482637 /nfs/dbraw/zinc/48/26/37/424482637.db2.gz IMPAICHVIQEJPP-MCIONIFRSA-N 2 0 271.474 1.496 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655483918 424486983 /nfs/dbraw/zinc/48/69/83/424486983.db2.gz JRYSJDNVYIUNSQ-NVXWUHKLSA-N 2 0 287.407 1.412 10 0 CDAERP C[C@@H](CNC(=O)C1([NH3+])CCCCC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655489537 424506604 /nfs/dbraw/zinc/50/66/04/424506604.db2.gz SWCVFRAPXRTUPE-MELADBBJSA-N 2 0 297.443 1.262 10 0 CDAERP C[C@H](C(=O)N[C@@H](C[NH3+])C(F)(F)F)[C@@H]([NH3+])c1ccccc1 ZINC000655505408 424667756 /nfs/dbraw/zinc/66/77/56/424667756.db2.gz ZBNUUTBTSHTARG-INTQDDNPSA-N 2 0 289.301 1.328 10 0 CDAERP CC(C)[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCCF ZINC001667440248 1173268429 /nfs/dbraw/zinc/26/84/29/1173268429.db2.gz HQDVOTXWESZEIR-CHWSQXEVSA-N 2 0 273.396 1.171 10 0 CDAERP C[N@H+](CCCO)C1CCN(C[C@@H](O)CC(F)(F)F)CC1 ZINC000189325716 270276839 /nfs/dbraw/zinc/27/68/39/270276839.db2.gz XFYCJGVHQCYDBP-LBPRGKRZSA-N 2 0 298.349 1.078 10 0 CDAERP Cn1cnc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000313254101 270324708 /nfs/dbraw/zinc/32/47/08/270324708.db2.gz NZUPTZJNQSXKES-HRCADAONSA-N 2 0 276.428 1.863 10 0 CDAERP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)[C@H]1CC1(C)C ZINC000397785001 270350831 /nfs/dbraw/zinc/35/08/31/270350831.db2.gz YBPFZSGLXYXRTQ-UONOGXRCSA-N 2 0 253.434 1.648 10 0 CDAERP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCC1([NH3+])CCCCCC1 ZINC000529330452 270924732 /nfs/dbraw/zinc/92/47/32/270924732.db2.gz PMYVOEWYSMDJTK-AWEZNQCLSA-N 2 0 296.459 1.678 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H](n1cccn1)C(F)(F)F ZINC000530210457 271153036 /nfs/dbraw/zinc/15/30/36/271153036.db2.gz KHQBKJIIQPCZIM-HBNTYKKESA-N 2 0 276.306 1.704 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC[C@@H]1CCCOC1 ZINC000530211700 271154249 /nfs/dbraw/zinc/15/42/49/271154249.db2.gz ODCWQBRKKXGTAN-XUXIUFHCSA-N 2 0 256.390 1.145 10 0 CDAERP OCc1ccc(F)c(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000530219825 271161620 /nfs/dbraw/zinc/16/16/20/271161620.db2.gz KKTJIZHOBDOAQI-UHFFFAOYSA-N 2 0 278.371 1.894 10 0 CDAERP CN1C(=O)c2ccccc2[C@H]1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000530222829 271165264 /nfs/dbraw/zinc/16/52/64/271165264.db2.gz HTFBIIYJUQZXSF-SEEARECTSA-N 2 0 287.407 1.920 10 0 CDAERP COc1ccc(CC[NH2+]C[C@H]2CC[NH2+][C@H](C)C2)cn1 ZINC000530242838 271178735 /nfs/dbraw/zinc/17/87/35/271178735.db2.gz DPBYUHHIMFGBSS-OCCSQVGLSA-N 2 0 263.385 1.610 10 0 CDAERP C[NH+]1CCC(C(=O)N[C@H]2CCC[C@H]2C[NH2+]CCCF)CC1 ZINC001667750351 1173320357 /nfs/dbraw/zinc/32/03/57/1173320357.db2.gz BJVTYYZSXWATJO-GJZGRUSLSA-N 2 0 299.434 1.562 10 0 CDAERP COc1ccccc1N1CC[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])C1 ZINC000422871952 274160905 /nfs/dbraw/zinc/16/09/05/274160905.db2.gz FAYDOKIMIOYPQT-MCIONIFRSA-N 2 0 277.412 1.989 10 0 CDAERP C[C@@H](CC[NH2+]CCF)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001668162271 1173375199 /nfs/dbraw/zinc/37/51/99/1173375199.db2.gz CFYBEYJTSKKDCE-LBPRGKRZSA-N 2 0 273.396 1.315 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000357398417 276007496 /nfs/dbraw/zinc/00/74/96/276007496.db2.gz YGOBLNVPVAGHGD-MELADBBJSA-N 2 0 267.417 1.460 10 0 CDAERP CCC[C@@H]1CN(C[C@H]([NH3+])CC(C)C)CC[N@@H+]1CCOC ZINC000414703339 276031216 /nfs/dbraw/zinc/03/12/16/276031216.db2.gz IUQSTFAHGSZBBE-HZPDHXFCSA-N 2 0 285.476 1.793 10 0 CDAERP C[NH2+]C[C@H](C)C[NH2+]Cc1c(C)cc(OC)nc1C ZINC000414848492 277282468 /nfs/dbraw/zinc/28/24/68/277282468.db2.gz XBNMTBKIDHBGND-JTQLQIEISA-N 2 0 251.374 1.652 10 0 CDAERP C[NH2+]C[C@H]1CCCN1C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000417530672 277284014 /nfs/dbraw/zinc/28/40/14/277284014.db2.gz ILHMCBYKRCUKAY-QLFBSQMISA-N 2 0 296.459 1.643 10 0 CDAERP CC(C)CC[C@H](O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366536089 277366222 /nfs/dbraw/zinc/36/62/22/277366222.db2.gz QGFOAWYQLQHYEI-LSDHHAIUSA-N 2 0 254.418 1.811 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000423909735 278220790 /nfs/dbraw/zinc/22/07/90/278220790.db2.gz FJMLKQZCAPCFKP-OAHLLOKOSA-N 2 0 293.455 1.755 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000261657310 278221333 /nfs/dbraw/zinc/22/13/33/278221333.db2.gz WSAOHRGQPYZDQE-BFHYXJOUSA-N 2 0 279.428 1.508 10 0 CDAERP C[C@@H](Cn1cccn1)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415044719 278299959 /nfs/dbraw/zinc/29/99/59/278299959.db2.gz BACZUMMRTLSUPS-FHERZECASA-N 2 0 291.443 1.078 10 0 CDAERP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cn(C)nc1C(F)(F)F ZINC000422962269 278309345 /nfs/dbraw/zinc/30/93/45/278309345.db2.gz CKGOFJLIHTWTOX-HTQZYQBOSA-N 2 0 264.295 1.654 10 0 CDAERP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000348103117 278508717 /nfs/dbraw/zinc/50/87/17/278508717.db2.gz MBDXSQZNLJQPRS-MGPQQGTHSA-N 2 0 254.418 1.857 10 0 CDAERP CC(C)C[NH+]1CCC(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000236772521 278869597 /nfs/dbraw/zinc/86/95/97/278869597.db2.gz DTPGUQUTQJJZSJ-QWHCGFSZSA-N 2 0 267.417 1.350 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000055088235 278893339 /nfs/dbraw/zinc/89/33/39/278893339.db2.gz CXLGKMUHJOLNCN-KBPBESRZSA-N 2 0 267.417 1.304 10 0 CDAERP CC[N@H+](CCNC(=O)N[C@H]1C[NH+](C(C)C)C[C@@H]1C)C1CC1 ZINC000119817492 279202345 /nfs/dbraw/zinc/20/23/45/279202345.db2.gz IVHXNANKVAWLEP-ZFWWWQNUSA-N 2 0 296.459 1.499 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000246363044 279333316 /nfs/dbraw/zinc/33/33/16/279333316.db2.gz PWQPDSPXRDERNN-ILXRZTDVSA-N 2 0 294.443 1.349 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CC[C@@H]2SC)CC1 ZINC000425352995 279370231 /nfs/dbraw/zinc/37/02/31/279370231.db2.gz IMQPSNDXNNZAAP-MCIONIFRSA-N 2 0 271.474 1.496 10 0 CDAERP C[C@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)C(C)(C)C[NH+](C)C ZINC000121201330 279398792 /nfs/dbraw/zinc/39/87/92/279398792.db2.gz JUCJBOGCFZCEME-STQMWFEESA-N 2 0 284.448 1.308 10 0 CDAERP C[C@@H]1C[NH+](CCCCNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)C[C@@H](C)O1 ZINC000246176421 288159407 /nfs/dbraw/zinc/15/94/07/288159407.db2.gz BPRVGGJEHYWMCN-KBUPBQIOSA-N 2 0 297.443 1.119 10 0 CDAERP CC(C)[C@@H](CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1)[NH+]1CCC(C)CC1 ZINC000246704139 279848850 /nfs/dbraw/zinc/84/88/50/279848850.db2.gz WLILTIJTQYUKJK-BZUAXINKSA-N 2 0 295.471 1.987 10 0 CDAERP CC1CC[NH+](CCCNC(=O)NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000195123438 280070421 /nfs/dbraw/zinc/07/04/21/280070421.db2.gz UXEHXYMCARTVNR-HNNXBMFYSA-N 2 0 296.459 1.502 10 0 CDAERP CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CCOC)[NH+](CC)CC ZINC000345774451 280078649 /nfs/dbraw/zinc/07/86/49/280078649.db2.gz YIEQFQXZGOXPNO-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCC[N@@H+](C2CC2)CC1 ZINC000246172339 280111341 /nfs/dbraw/zinc/11/13/41/280111341.db2.gz BIACCQFOWZRZAP-BPUTZDHNSA-N 2 0 291.439 1.604 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000246424066 280278924 /nfs/dbraw/zinc/27/89/24/280278924.db2.gz SPYSJQRHAVFOOS-HUUCEWRRSA-N 2 0 298.475 1.746 10 0 CDAERP C[C@@H]1C[C@@H](O)C[C@H](C)[NH+]1CCC[N@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000248747161 280379422 /nfs/dbraw/zinc/37/94/22/280379422.db2.gz FQWCDUIMRAIDIX-ZKOZSGJDSA-N 2 0 298.471 1.844 10 0 CDAERP CO[C@H](CC[NH2+][C@H](C)[C@H]1CCC[NH2+]1)C(F)(F)F ZINC000423065031 280754102 /nfs/dbraw/zinc/75/41/02/280754102.db2.gz ATNXTYBOCBSUTB-OPRDCNLKSA-N 2 0 254.296 1.684 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCC[NH+](C)C(C)C ZINC000155585054 289243988 /nfs/dbraw/zinc/24/39/88/289243988.db2.gz GANXFXCRJJLKJE-OAHLLOKOSA-N 2 0 298.475 1.746 10 0 CDAERP C[NH+](C)[C@H]1CC[C@@H](NC(=O)N2CCC3(C2)CC[NH2+]CC3)C1 ZINC000334938382 289387818 /nfs/dbraw/zinc/38/78/18/289387818.db2.gz SNAZWBXVAWQHPN-KGLIPLIRSA-N 2 0 294.443 1.254 10 0 CDAERP C[C@H]([NH3+])CCC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000193298735 289768082 /nfs/dbraw/zinc/76/80/82/289768082.db2.gz PFMWSUBUUSZHHK-JSGCOSHPSA-N 2 0 269.433 1.741 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@]3(CCOC3)C2)[C@@H]2CCC[C@H]21 ZINC000353615592 290224725 /nfs/dbraw/zinc/22/47/25/290224725.db2.gz WZPKJBQYFINDTR-DRRXZNNHSA-N 2 0 294.439 1.787 10 0 CDAERP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000557569360 290353331 /nfs/dbraw/zinc/35/33/31/290353331.db2.gz HOOICYXFHDLXTA-KLHDSHLOSA-N 2 0 295.471 1.811 10 0 CDAERP CCC[C@@H](C(=O)NC[C@@H](C)C[NH+]1CCCCC1)[NH+](C)C ZINC000161685464 292811269 /nfs/dbraw/zinc/81/12/69/292811269.db2.gz GZKMZXUXZFFYEP-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@@H]([NH2+]C[C@H]1CCCCN1CCO)C1CCOCC1 ZINC000560348552 293024552 /nfs/dbraw/zinc/02/45/52/293024552.db2.gz RVYFVHFODAZWEM-HZPDHXFCSA-N 2 0 284.444 1.628 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000561259463 293069876 /nfs/dbraw/zinc/06/98/76/293069876.db2.gz PNGSLENULKPOCP-HUUCEWRRSA-N 2 0 279.428 1.273 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCCC(F)(F)C1 ZINC000422986227 293098326 /nfs/dbraw/zinc/09/83/26/293098326.db2.gz BNNOMDHBHXYVJA-QWRGUYRKSA-N 2 0 250.333 1.908 10 0 CDAERP COC[C@](C)(O)CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423144465 293262232 /nfs/dbraw/zinc/26/22/32/293262232.db2.gz GZDHHFKGRMYLFR-ZJIFWQFVSA-N 2 0 284.444 1.674 10 0 CDAERP CC(C)OC[C@H](O)C[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000568620586 294068638 /nfs/dbraw/zinc/06/86/38/294068638.db2.gz MQJOKLRXJLHXHG-CQSZACIVSA-N 2 0 272.433 1.484 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000570307724 294214775 /nfs/dbraw/zinc/21/47/75/294214775.db2.gz MUKILDVZUQJPGS-CQDKDKBSSA-N 2 0 288.395 1.005 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)CCCC[NH3+])[C@@H](C)C1 ZINC000570400490 294232207 /nfs/dbraw/zinc/23/22/07/294232207.db2.gz ZNTPRCGUEANPMT-QWHCGFSZSA-N 2 0 255.406 1.304 10 0 CDAERP C[C@@H]([NH3+])C[C@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC000571923060 294523936 /nfs/dbraw/zinc/52/39/36/294523936.db2.gz JTEDVZLUOGWNAX-ZJUUUORDSA-N 2 0 250.346 1.003 10 0 CDAERP Cc1ccc([C@@H]([NH3+])C(=O)N2CC3CCC2(C[NH3+])CC3)cc1 ZINC000573216000 294775779 /nfs/dbraw/zinc/77/57/79/294775779.db2.gz PMTVKMJRCUVPIV-GNHJJJEISA-N 2 0 287.407 1.725 10 0 CDAERP COc1ccc([C@H](NC2CC[NH2+]CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423178410 295244346 /nfs/dbraw/zinc/24/43/46/295244346.db2.gz FWLIBGVRDVSASP-IRXDYDNUSA-N 2 0 289.423 1.830 10 0 CDAERP C[C@@H]1C[C@@H](C[N@H+](C)CC(=O)NC(C)(C)C)CC[NH2+]1 ZINC000414684632 297247981 /nfs/dbraw/zinc/24/79/81/297247981.db2.gz WLYNZIFCHJXBLK-NEPJUHHUSA-N 2 0 255.406 1.221 10 0 CDAERP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000335067579 298270622 /nfs/dbraw/zinc/27/06/22/298270622.db2.gz GPSKJGHJUDAPJD-TZMCWYRMSA-N 2 0 267.417 1.175 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH2+]1 ZINC000262403850 300396232 /nfs/dbraw/zinc/39/62/32/300396232.db2.gz OMQDTIUQEKXRCO-XUXIUFHCSA-N 2 0 267.417 1.316 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CC[NH+](C3CC3)C[C@@H](C)C2)CC[N@@H+]1C ZINC000452168762 300399863 /nfs/dbraw/zinc/39/98/63/300399863.db2.gz DXCVFBSQTFKWIO-ILXRZTDVSA-N 2 0 293.455 1.659 10 0 CDAERP CO[C@@H](C)C[NH2+]CCCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001670291815 1173669355 /nfs/dbraw/zinc/66/93/55/1173669355.db2.gz YNKVGMRRKAFTFV-HNNXBMFYSA-N 2 0 299.459 1.191 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)N1CCC(CC[NH3+])CC1 ZINC000563337560 316255844 /nfs/dbraw/zinc/25/58/44/316255844.db2.gz CELKQNAWQALHJG-ZDUSSCGKSA-N 2 0 267.417 1.352 10 0 CDAERP CCC[NH2+][C@H](C)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000566259215 316533216 /nfs/dbraw/zinc/53/32/16/316533216.db2.gz RDKDXSMTDNKPRQ-DOMZBBRYSA-N 2 0 275.396 1.459 10 0 CDAERP CC[C@@H]1CCCC[C@H]1C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000566615048 316640898 /nfs/dbraw/zinc/64/08/98/316640898.db2.gz FCGQIEMIJHVAME-IKGGRYGDSA-N 2 0 297.487 1.401 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H](NC2CC([NH+]3CCCCC3)C2)C1 ZINC000566867023 316696168 /nfs/dbraw/zinc/69/61/68/316696168.db2.gz SMVYWDGUMCWOCT-LMRVLLHPSA-N 2 0 251.418 1.863 10 0 CDAERP CC[NH+]1CCC(CNC(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000575235515 316981051 /nfs/dbraw/zinc/98/10/51/316981051.db2.gz OSKRPVDCLMFHHD-OCCSQVGLSA-N 2 0 282.432 1.016 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000575860175 317026177 /nfs/dbraw/zinc/02/61/77/317026177.db2.gz VHPAJDVYXYVSBN-SOUVJXGZSA-N 2 0 255.450 1.940 10 0 CDAERP CC(C)S(=O)(=O)CCCN1CC[C@H]([NH3+])C[C@H]1C ZINC000576288699 317111591 /nfs/dbraw/zinc/11/15/91/317111591.db2.gz ADAJFRRKRYHVKU-NEPJUHHUSA-N 2 0 262.419 1.011 10 0 CDAERP C[C@H]1CC[N@H+](CCNC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000576351324 317123978 /nfs/dbraw/zinc/12/39/78/317123978.db2.gz VDUHAZBYEKTKKU-LBPRGKRZSA-N 2 0 261.369 1.217 10 0 CDAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+]1CCCC[C@@H]1C ZINC000577408630 317327309 /nfs/dbraw/zinc/32/73/09/317327309.db2.gz BLPGOCYRHFRQJF-ILXRZTDVSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)N(C)CCC[NH+](C)C ZINC000185925379 323399765 /nfs/dbraw/zinc/39/97/65/323399765.db2.gz ZOJLYXDZPVUPQO-CYBMUJFWSA-N 2 0 272.437 1.310 10 0 CDAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCn1cncn1 ZINC000381858878 323632483 /nfs/dbraw/zinc/63/24/83/323632483.db2.gz DENZYYHYAKSPGA-CHWSQXEVSA-N 2 0 251.378 1.179 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000579368607 324170900 /nfs/dbraw/zinc/17/09/00/324170900.db2.gz HMRLZFLTPJOESP-HIFRSBDPSA-N 2 0 273.380 1.012 10 0 CDAERP C[C@@]1(CNC2CC[NH+](C[C@@H]3CCOC3)CC2)CC[NH2+]C1 ZINC000581489302 324761275 /nfs/dbraw/zinc/76/12/75/324761275.db2.gz UINRZEDFJODPOH-GOEBONIOSA-N 2 0 281.444 1.077 10 0 CDAERP CC(C)[C@@H]([NH3+])CNC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000583320767 325151063 /nfs/dbraw/zinc/15/10/63/325151063.db2.gz MZSOJJPQWXUKCB-GJZGRUSLSA-N 2 0 290.411 1.237 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H]2C[NH2+]C/C=C/Cl)C1 ZINC001671369557 1159181132 /nfs/dbraw/zinc/18/11/32/1159181132.db2.gz YCFMCVDVTFMETM-HNCOSLNKSA-N 2 0 299.846 1.661 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]C/C=C/Cl ZINC001671373621 1159660291 /nfs/dbraw/zinc/66/02/91/1159660291.db2.gz QGXZOTWJHBAVQK-VUDGCMKMSA-N 2 0 287.835 1.661 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC/C=C\C[NH2+]CCF)C1 ZINC001268612899 1159999645 /nfs/dbraw/zinc/99/96/45/1159999645.db2.gz JWIRBDFFLJLZGE-JHZNUDOXSA-N 2 0 285.407 1.338 10 0 CDAERP CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482282729 1160104643 /nfs/dbraw/zinc/10/46/43/1160104643.db2.gz DBRTWOGKIUISQL-JHJVBQTASA-N 2 0 255.406 1.173 10 0 CDAERP C[NH+](C)CCCCNC(=O)[C@@H]1[NH2+]CC[C@H]2CCCC[C@@H]21 ZINC000383789998 1160217093 /nfs/dbraw/zinc/21/70/93/1160217093.db2.gz WHMUEIHMMSDTKQ-QLFBSQMISA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001271074084 1160242282 /nfs/dbraw/zinc/24/22/82/1160242282.db2.gz DRSLHDSFWHSSLG-IHRRRGAJSA-N 2 0 269.433 1.562 10 0 CDAERP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1nccn1C ZINC000396471578 482477423 /nfs/dbraw/zinc/47/74/23/482477423.db2.gz XUOGLHSMMKIVOT-NWDGAFQWSA-N 2 0 250.390 1.801 10 0 CDAERP O[C@H]1CC[N@@H+](C2CC[NH+](C[C@@H]3CCSC3)CC2)C1 ZINC000668739868 482222422 /nfs/dbraw/zinc/22/24/22/482222422.db2.gz OZFHGNAADJESKS-JSGCOSHPSA-N 2 0 270.442 1.271 10 0 CDAERP C[N@H+](C[C@@H](O)C[NH3+])C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000662276264 482235718 /nfs/dbraw/zinc/23/57/18/482235718.db2.gz IIICNHBCWHCGOM-BMFZPTHFSA-N 2 0 262.397 1.822 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)NC(C)(C)CC[NH3+] ZINC000652291894 482459058 /nfs/dbraw/zinc/45/90/58/482459058.db2.gz MKBGCVMFZMXFDR-UHFFFAOYSA-N 2 0 278.400 1.333 10 0 CDAERP CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000669529821 482599076 /nfs/dbraw/zinc/59/90/76/482599076.db2.gz DKTNQSPYBUUHIN-BFHYXJOUSA-N 2 0 282.432 1.158 10 0 CDAERP CN1CCN(C(=O)C[C@H]2CC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000227713634 482643563 /nfs/dbraw/zinc/64/35/63/482643563.db2.gz CMTZQOUGPUYCNU-GDBMZVCRSA-N 2 0 287.407 1.501 10 0 CDAERP C[NH+](C)CCOc1ccccc1C(=O)NCC[NH2+]C1CC1 ZINC000237185242 482652180 /nfs/dbraw/zinc/65/21/80/482652180.db2.gz UEVYSJIHMMBEPH-UHFFFAOYSA-N 2 0 291.395 1.109 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)CC1([NH3+])CCC1 ZINC000094293658 482773469 /nfs/dbraw/zinc/77/34/69/482773469.db2.gz TYJGYTQROGUNNK-GFCCVEGCSA-N 2 0 255.406 1.350 10 0 CDAERP Cc1cncc(CC[NH2+][C@@H](C)C2CC[NH+](C)CC2)n1 ZINC000402730681 482777986 /nfs/dbraw/zinc/77/79/86/482777986.db2.gz CLNUMEHTKBHYFT-ZDUSSCGKSA-N 2 0 262.401 1.647 10 0 CDAERP C[NH+](C)C[C@@H](NC(=O)CCCC[NH3+])c1ccccc1 ZINC000070203171 482853428 /nfs/dbraw/zinc/85/34/28/482853428.db2.gz MPHCHDZRWCGALU-CQSZACIVSA-N 2 0 263.385 1.535 10 0 CDAERP CC[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)CO1 ZINC000657363675 482854767 /nfs/dbraw/zinc/85/47/67/482854767.db2.gz AQUKSMLEYFHBOM-CWRNSKLLSA-N 2 0 282.428 1.644 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000136425199 482918279 /nfs/dbraw/zinc/91/82/79/482918279.db2.gz SGXOETHJQCQEKO-ZDUSSCGKSA-N 2 0 269.433 1.741 10 0 CDAERP C[NH2+][C@H](C)C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000390739861 482922307 /nfs/dbraw/zinc/92/23/07/482922307.db2.gz LIVARAKFGGHUGD-QWHCGFSZSA-N 2 0 263.385 1.231 10 0 CDAERP COCCOCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250168868 483014228 /nfs/dbraw/zinc/01/42/28/483014228.db2.gz KRCDRPYOLFPSKG-UONOGXRCSA-N 2 0 256.390 1.113 10 0 CDAERP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089462295 483088317 /nfs/dbraw/zinc/08/83/17/483088317.db2.gz VWURDXHUMSELPC-UONOGXRCSA-N 2 0 267.417 1.162 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000252599367 483117174 /nfs/dbraw/zinc/11/71/74/483117174.db2.gz KSCMRAWQGPJZOA-NWANDNLSSA-N 2 0 275.396 1.404 10 0 CDAERP COc1ccc2cc(C[NH2+]C[C@@H]3C[NH2+]C[C@H]3O)ccc2c1 ZINC000263117962 483128090 /nfs/dbraw/zinc/12/80/90/483128090.db2.gz ARXGWUUWAYCOQU-NVXWUHKLSA-N 2 0 286.375 1.518 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000653046098 483239566 /nfs/dbraw/zinc/23/95/66/483239566.db2.gz HJZQXSSLZLIZHU-CYBMUJFWSA-N 2 0 261.369 1.060 10 0 CDAERP OCCCOC1CC[NH+](Cc2cnc3n2CCC3)CC1 ZINC000667672940 483378240 /nfs/dbraw/zinc/37/82/40/483378240.db2.gz LEIZNGOXHSPPPW-UHFFFAOYSA-N 2 0 279.384 1.193 10 0 CDAERP CC[NH+](CC)C[C@H]1CCN(Cc2cnn3c2CCC3)C1 ZINC000667673024 483378258 /nfs/dbraw/zinc/37/82/58/483378258.db2.gz NIXOMMIUSTZAOD-CQSZACIVSA-N 2 0 276.428 1.993 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000136348114 483394623 /nfs/dbraw/zinc/39/46/23/483394623.db2.gz CZHKNFIFMDQXPE-OAHLLOKOSA-N 2 0 293.411 1.939 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000136426752 483402218 /nfs/dbraw/zinc/40/22/18/483402218.db2.gz NNMAXHIXUQJTJM-GJZGRUSLSA-N 2 0 277.412 1.779 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C[C@H]([NH3+])C(C)C ZINC000136485294 483408061 /nfs/dbraw/zinc/40/80/61/483408061.db2.gz SXZOUSVOFMESCZ-OLZOCXBDSA-N 2 0 255.406 1.303 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000676726009 483577300 /nfs/dbraw/zinc/57/73/00/483577300.db2.gz WITCVYQZSXKKGZ-NRXISQOPSA-N 2 0 296.459 1.500 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CC[C@H](C[N@H+](C)C[C@@H]2CCCO2)O1 ZINC000052541074 519746543 /nfs/dbraw/zinc/74/65/43/519746543.db2.gz PVTGIWKAHYCZDW-OWCLPIDISA-N 2 0 284.444 1.890 10 0 CDAERP CCC[NH2+]CCC[C@H](C)[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061654955 519913244 /nfs/dbraw/zinc/91/32/44/519913244.db2.gz POUKWJYMIQRTOP-INIZCTEOSA-N 3 0 284.492 1.334 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)Cc2cnn(C)c2)O1 ZINC000052570419 519951252 /nfs/dbraw/zinc/95/12/52/519951252.db2.gz LOYSFDJEWYOSQQ-KBPBESRZSA-N 2 0 266.389 1.009 10 0 CDAERP CC[NH2+]Cc1cn(CC[N@@H+]2CCC[C@@H](C)C2)nn1 ZINC000052381410 520012223 /nfs/dbraw/zinc/01/22/23/520012223.db2.gz JWDKVURTJHJOQR-GFCCVEGCSA-N 2 0 251.378 1.120 10 0 CDAERP CC(C)=CC[NH2+]C1(CNC(=O)CC[NH+](C)C)CCC1 ZINC001273147246 1161535143 /nfs/dbraw/zinc/53/51/43/1161535143.db2.gz MTAYGVNUPLOFMT-UHFFFAOYSA-N 2 0 267.417 1.533 10 0 CDAERP C[NH2+]Cc1oc(COCC[NH+]2CCCC2)cc1C ZINC000052670587 522160459 /nfs/dbraw/zinc/16/04/59/522160459.db2.gz ZOEOGZXNUQEUAZ-UHFFFAOYSA-N 2 0 252.358 1.920 10 0 CDAERP CCCCCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC)[C@@H](C)C1 ZINC001724952177 1181806480 /nfs/dbraw/zinc/80/64/80/1181806480.db2.gz YRPORHZWSDQHNZ-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)(C)[NH+]1CCN(C(=O)CCC2CC[NH2+]CC2)CC1 ZINC000050950943 518708690 /nfs/dbraw/zinc/70/86/90/518708690.db2.gz WEGLIYAFPWEBFU-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)(C)[NH+]1CCN(Cc2cc[nH+]c(NN)c2)CC1 ZINC000052721887 518712787 /nfs/dbraw/zinc/71/27/87/518712787.db2.gz BQRUBNSUBMQABV-UHFFFAOYSA-N 2 0 263.389 1.283 10 0 CDAERP CC(C)(C)[C@H](O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000336846816 518966735 /nfs/dbraw/zinc/96/67/35/518966735.db2.gz RCTXWAVXDOEYTC-MRXNPFEDSA-N 2 0 298.471 1.970 10 0 CDAERP CC(C)[N@H+](C)CCCCNC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000055090077 519615000 /nfs/dbraw/zinc/61/50/00/519615000.db2.gz OWHZMVOUFLTLRS-KBPBESRZSA-N 2 0 269.433 1.741 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)[C@@H]2[C@@H](C)CCC[C@@H]2[NH3+])CC1 ZINC000055132138 519724953 /nfs/dbraw/zinc/72/49/53/519724953.db2.gz YLKXZRGWZJSJCY-SOUVJXGZSA-N 2 0 281.444 1.550 10 0 CDAERP CC(C)C[NH+]1CCN([C@@H](c2cnn(C)c2)[C@@H](C)[NH3+])CC1 ZINC000055077018 519727371 /nfs/dbraw/zinc/72/73/71/519727371.db2.gz OFYCIKGWTKXYQH-UKRRQHHQSA-N 2 0 279.432 1.082 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)C[C@@H]2CCCO2)O1 ZINC000052541073 519745189 /nfs/dbraw/zinc/74/51/89/519745189.db2.gz PVTGIWKAHYCZDW-HRCADAONSA-N 2 0 284.444 1.890 10 0 CDAERP CC(C)C[C@@H](C)OC[C@H](O)C[NH2+][C@@H](C)CC[NH+](C)C ZINC000049557243 519774059 /nfs/dbraw/zinc/77/40/59/519774059.db2.gz HBYYVXQQMHSLIY-RRFJBIMHSA-N 2 0 274.449 1.728 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)[C@H](C)C2C[NH2+]C2)CC1 ZINC000164316295 519844157 /nfs/dbraw/zinc/84/41/57/519844157.db2.gz ANRJYDOCAHTVGQ-GFCCVEGCSA-N 2 0 267.417 1.175 10 0 CDAERP CCC[NH+]1CCN(C(=O)CC[C@@H]2CCCC[NH2+]2)CC1 ZINC000050940424 519855569 /nfs/dbraw/zinc/85/55/69/519855569.db2.gz DVIULFFSUFICQR-AWEZNQCLSA-N 2 0 267.417 1.463 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000063122256 519903278 /nfs/dbraw/zinc/90/32/78/519903278.db2.gz LLGLRKRBUWGPLE-UHFFFAOYSA-N 2 0 255.406 1.175 10 0 CDAERP CC[NH2+]CC1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000068890151 519914934 /nfs/dbraw/zinc/91/49/34/519914934.db2.gz PSSRAZLFAWLGLW-JTQLQIEISA-N 2 0 254.296 1.231 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@@H](C[NH+](CCOC)CCOC)O1 ZINC000052571487 519923895 /nfs/dbraw/zinc/92/38/95/519923895.db2.gz HZHWHGPPYCRHNM-GJZGRUSLSA-N 2 0 288.432 1.128 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@@H](CN2CC[NH+]([C@@H](C)CC)CC2)O1 ZINC000055073969 519937846 /nfs/dbraw/zinc/93/78/46/519937846.db2.gz MTEKEBBVYUZUAH-BBWFWOEESA-N 2 0 297.487 1.950 10 0 CDAERP CCC[NH2+]C[C@](C)(CC)CN1CCN(CC[NH+](C)C)CC1 ZINC000061653742 519939945 /nfs/dbraw/zinc/93/99/45/519939945.db2.gz PZBLSXDFJYZSNB-KRWDZBQOSA-N 2 0 298.519 1.582 10 0 CDAERP CCC[NH2+][C@@H](CCC)CN1CCN(CC[NH+](C)C)CC1 ZINC000061643791 519993759 /nfs/dbraw/zinc/99/37/59/519993759.db2.gz JNKRREZKEAKDAP-INIZCTEOSA-N 2 0 284.492 1.334 10 0 CDAERP CCC[NH2+][C@@](CO)(CN1CC[C@H]([NH+](CC)CC)C1)C1CC1 ZINC000070337406 520056233 /nfs/dbraw/zinc/05/62/33/520056233.db2.gz JYDVAKQHRHPERZ-DLBZAZTESA-N 2 0 297.487 1.543 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000061270045 520168090 /nfs/dbraw/zinc/16/80/90/520168090.db2.gz UZRBMSRXJYODTA-CHWSQXEVSA-N 2 0 257.422 1.467 10 0 CDAERP CCCCC[C@H](C)[NH2+]CCN1CCN(CC[NH+](C)C)CC1 ZINC000061655298 520309706 /nfs/dbraw/zinc/30/97/06/520309706.db2.gz HKAOXIHBMDZDQZ-KRWDZBQOSA-N 2 0 298.519 1.724 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@@H]1CCC[C@H](C[NH3+])C1 ZINC000055145712 520616077 /nfs/dbraw/zinc/61/60/77/520616077.db2.gz LIDOFMOQYPNAKP-UONOGXRCSA-N 2 0 269.433 1.600 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(C(=O)C[NH2+]C2CCCC2)C1 ZINC000062972736 520868094 /nfs/dbraw/zinc/86/80/94/520868094.db2.gz SPKFMIIFGRXRKY-AWEZNQCLSA-N 2 0 267.417 1.461 10 0 CDAERP CCC[C@@]1(C(=O)N2CC[NH+](C3CCCC3)CC2)CC[NH2+]C1 ZINC000062903837 520941078 /nfs/dbraw/zinc/94/10/78/520941078.db2.gz WMKXKZIKJSCUCA-QGZVFWFLSA-N 2 0 293.455 1.853 10 0 CDAERP CCC[C@H](C)[NH2+]C[C@@H](C)N1CCN(CC[NH+](C)C)CC1 ZINC000061655337 521060564 /nfs/dbraw/zinc/06/05/64/521060564.db2.gz RNEOQJLUOFOTQD-JKSUJKDBSA-N 2 0 284.492 1.332 10 0 CDAERP CC[N@H+](CCn1cc(C[NH2+]C(C)C)nn1)CC(C)C ZINC000052449735 521184028 /nfs/dbraw/zinc/18/40/28/521184028.db2.gz ORZDFERXKGQTFV-UHFFFAOYSA-N 2 0 267.421 1.754 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@H](C)[C@@H]2[NH3+])CC1 ZINC000055129382 521556364 /nfs/dbraw/zinc/55/63/64/521556364.db2.gz OCKSXKVXNFRMPR-QEJZJMRPSA-N 2 0 281.444 1.693 10 0 CDAERP CCC(CC)[C@@H](CNC(=O)C(C)(C)[NH3+])[NH+]1CCCC1 ZINC000236661514 521603230 /nfs/dbraw/zinc/60/32/30/521603230.db2.gz BGZXAEDQYUUOSJ-CYBMUJFWSA-N 2 0 269.433 1.741 10 0 CDAERP CCC(CC)[C@H](CNC(=O)C(C)(C)[NH3+])[NH+]1CCCC1 ZINC000236688002 521616611 /nfs/dbraw/zinc/61/66/11/521616611.db2.gz BGZXAEDQYUUOSJ-ZDUSSCGKSA-N 2 0 269.433 1.741 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@H]1CC[C@H]([NH3+])C[C@@H]1C ZINC000055139791 521655771 /nfs/dbraw/zinc/65/57/71/521655771.db2.gz CSWOATWVQOJUIJ-IHRRRGAJSA-N 2 0 269.433 1.550 10 0 CDAERP CCCN(CC[NH+](C)C)Cc1ccnc(C[NH3+])c1 ZINC000068750356 521657699 /nfs/dbraw/zinc/65/76/99/521657699.db2.gz KAVWELWBYOAACZ-UHFFFAOYSA-N 2 0 250.390 1.314 10 0 CDAERP CC[NH+]1CCN(c2ccc(Cl)cc2C(N)=[NH2+])CC1 ZINC000052860007 521698176 /nfs/dbraw/zinc/69/81/76/521698176.db2.gz AZXUTLQYWJLWAO-UHFFFAOYSA-N 2 0 266.776 1.766 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C2CC[NH2+]CC2)[C@@H](C)C1 ZINC000236905117 521718093 /nfs/dbraw/zinc/71/80/93/521718093.db2.gz MFXKRGCYHBXWDE-JSGCOSHPSA-N 2 0 267.417 1.175 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000246199672 521718135 /nfs/dbraw/zinc/71/81/35/521718135.db2.gz DWJSCQVSUVKERY-MCIONIFRSA-N 2 0 267.417 1.317 10 0 CDAERP C[NH+](C)Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000163836257 521896471 /nfs/dbraw/zinc/89/64/71/521896471.db2.gz ZMAWOXXZGKTHTO-IYBDPMFKSA-N 2 0 287.407 1.715 10 0 CDAERP C[NH2+]CCCCCN1CC[NH+](C2CCCC2)CC1 ZINC000052573534 521992666 /nfs/dbraw/zinc/99/26/66/521992666.db2.gz QHGCMCVDDCIWAH-UHFFFAOYSA-N 2 0 253.434 1.936 10 0 CDAERP C[NH2+]CC[C@@H](C)N1CC[NH+](Cc2ccccc2)CC1 ZINC000052417113 522015755 /nfs/dbraw/zinc/01/57/55/522015755.db2.gz OSMIHNLLTMQTQL-OAHLLOKOSA-N 2 0 261.413 1.802 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000055077819 522112571 /nfs/dbraw/zinc/11/25/71/522112571.db2.gz JRHUJKQKMFTUSS-GDBMZVCRSA-N 2 0 289.423 1.499 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(CCC[C@@H]2CCC[NH2+]2)CC1 ZINC000055066927 522117562 /nfs/dbraw/zinc/11/75/62/522117562.db2.gz ASZKOSSKIGAKOJ-CABCVRRESA-N 2 0 253.434 1.935 10 0 CDAERP C[NH2+]Cc1cn(CC[N@@H+]2CC[C@@H](C)C[C@H]2C)nn1 ZINC000052510076 522141828 /nfs/dbraw/zinc/14/18/28/522141828.db2.gz YZJMMMLTJAMLDQ-VXGBXAGGSA-N 2 0 251.378 1.118 10 0 CDAERP C[NH2+]Cc1occc1CN1CCC[C@H]1C[NH+](C)C ZINC000061654409 522165517 /nfs/dbraw/zinc/16/55/17/522165517.db2.gz WHOQDLZYWOARFH-ZDUSSCGKSA-N 2 0 251.374 1.525 10 0 CDAERP CN(C)c1cc[nH+]cc1NC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000052881827 522311905 /nfs/dbraw/zinc/31/19/05/522311905.db2.gz NSJKNQYGHOOCMT-MRXNPFEDSA-N 2 0 284.363 1.960 10 0 CDAERP COC[C@@H](O)C[NH+]1CCC(C[NH2+]C(C)(C)C)CC1 ZINC000069054686 522400505 /nfs/dbraw/zinc/40/05/05/522400505.db2.gz JWMPZWDCRCURNL-ZDUSSCGKSA-N 2 0 258.406 1.094 10 0 CDAERP C[NH2+][C@@H]1c2ccccc2C[C@@H]1N1CCC[C@@H]1C[NH+](C)C ZINC000061643444 522401453 /nfs/dbraw/zinc/40/14/53/522401453.db2.gz VAYPYMLXOHELLS-HYVNUMGLSA-N 2 0 273.424 1.898 10 0 CDAERP C[NH2+][C@H]1c2ccccc2OC[C@@H]1N1CCC[C@@H]1C[NH+](C)C ZINC000061643664 522509977 /nfs/dbraw/zinc/50/99/77/522509977.db2.gz NRNUSKPWWOMKIR-KMFMINBZSA-N 2 0 289.423 1.734 10 0 CDAERP CN(CC[NH+]1CCCC1)CC1(C[NH3+])CCCCC1 ZINC000063053569 522828629 /nfs/dbraw/zinc/82/86/29/522828629.db2.gz KWZKLXYRKOWFJW-UHFFFAOYSA-N 2 0 253.434 1.923 10 0 CDAERP C[N@H+](C[C@H](O)CC1CCCC1)C[C@H]1CC[NH+](C)C1 ZINC000300072273 523092793 /nfs/dbraw/zinc/09/27/93/523092793.db2.gz LTQOBVYYFOMLAA-LSDHHAIUSA-N 2 0 254.418 1.811 10 0 CDAERP CN(C(=O)c1c[nH+]c(NN)c(Cl)c1)C1CC[NH+](C)CC1 ZINC000051096198 523958063 /nfs/dbraw/zinc/95/80/63/523958063.db2.gz LVVQATYGUXCJFY-UHFFFAOYSA-N 2 0 297.790 1.187 10 0 CDAERP CC[C@H](C)[NH+]1CCN([C@@H](c2cccnc2)[C@@H](C)[NH3+])CC1 ZINC000055064093 523958279 /nfs/dbraw/zinc/95/82/79/523958279.db2.gz HGWZPGVNIRSBLZ-SQWLQELKSA-N 2 0 276.428 1.886 10 0 CDAERP C[NH+](C)CC(C)(C)CNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000055086618 524046580 /nfs/dbraw/zinc/04/65/80/524046580.db2.gz SPPQDXDMWHALCC-RYUDHWBXSA-N 2 0 255.406 1.208 10 0 CDAERP C[NH+](C)CC1CCN(c2ncc(C[NH3+])s2)CC1 ZINC000054897112 524050492 /nfs/dbraw/zinc/05/04/92/524050492.db2.gz RWHJKUJSDXNWJE-UHFFFAOYSA-N 2 0 254.403 1.380 10 0 CDAERP C[C@@H]1CCCC[C@@H]1[NH2+]CCN1CCN(CC[NH+](C)C)CC1 ZINC000061655392 524142873 /nfs/dbraw/zinc/14/28/73/524142873.db2.gz OVHRLMLMEZFTRC-SJORKVTESA-N 2 0 296.503 1.334 10 0 CDAERP C[C@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000055123280 524145089 /nfs/dbraw/zinc/14/50/89/524145089.db2.gz JEEVNJLTZQXQKX-IACUBPJLSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@@H]1CCC[C@H](C(=O)NCCCC[NH+](C)C)[C@@H]1[NH3+] ZINC000055138958 524346485 /nfs/dbraw/zinc/34/64/85/524346485.db2.gz GEHKTYRHDXQNAF-FRRDWIJNSA-N 2 0 255.406 1.208 10 0 CDAERP C[C@@H](CC(=O)N1CC[N@@H+]2CCC[C@H]2C1)C1CC[NH2+]CC1 ZINC000246515514 524357197 /nfs/dbraw/zinc/35/71/97/524357197.db2.gz QUTJQMJWFPJGBJ-ZFWWWQNUSA-N 2 0 279.428 1.319 10 0 CDAERP C[C@@H]1CCC[C@H]([N@H+](C)CCN2CCC[NH2+]CC2)C1 ZINC000061275352 524389173 /nfs/dbraw/zinc/38/91/73/524389173.db2.gz PTAWFTFRBWEERE-CABCVRRESA-N 2 0 253.434 1.792 10 0 CDAERP Cc1ccc(C[N@H+](C)CCn2cc(C[NH3+])nn2)cc1 ZINC000052424668 524392886 /nfs/dbraw/zinc/39/28/86/524392886.db2.gz YCTRWFJIWFQJDQ-UHFFFAOYSA-N 2 0 259.357 1.177 10 0 CDAERP C[C@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000055134930 524414247 /nfs/dbraw/zinc/41/42/47/524414247.db2.gz XVNGGMBOEBUHNZ-QEJZJMRPSA-N 2 0 281.444 1.550 10 0 CDAERP C[C@@H](CNC(=O)CC[C@H]1CCCC[NH2+]1)C[NH+]1CCCC1 ZINC000062076532 524649243 /nfs/dbraw/zinc/64/92/43/524649243.db2.gz YCBRTCBEDDCRTQ-LSDHHAIUSA-N 2 0 281.444 1.757 10 0 CDAERP C[C@@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000055132630 524685619 /nfs/dbraw/zinc/68/56/19/524685619.db2.gz DQPGGAIVDOYUTR-YCPHGPKFSA-N 2 0 293.455 1.837 10 0 CDAERP C[C@@H]([NH3+])[C@H](c1ccccn1)N1CCC[C@@H]1C[NH+](C)C ZINC000061642097 525018660 /nfs/dbraw/zinc/01/86/60/525018660.db2.gz QYHQABJSQPTWGW-UMVBOHGHSA-N 2 0 262.401 1.496 10 0 CDAERP C[C@@H]1C[C@@H]([NH3+])CC[C@@H]1C(=O)NCC[NH+]1CCCCCC1 ZINC000055136271 525245901 /nfs/dbraw/zinc/24/59/01/525245901.db2.gz BTRAPWZEUIIYRN-ILXRZTDVSA-N 2 0 281.444 1.742 10 0 CDAERP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000051692688 525290178 /nfs/dbraw/zinc/29/01/78/525290178.db2.gz YKJTVTYRKKDRFS-GCVQQVDUSA-N 2 0 274.368 1.777 10 0 CDAERP C[C@H]([C@H](O)c1ccccc1)[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061652720 526030487 /nfs/dbraw/zinc/03/04/87/526030487.db2.gz GQEBVLOEXHDYHO-WBVHZDCISA-N 2 0 291.439 1.288 10 0 CDAERP c1cc2c(s1)CC[N@@H+](CCN1CCC[NH2+]CC1)C2 ZINC000061274912 526446595 /nfs/dbraw/zinc/44/65/95/526446595.db2.gz NOTSYEMHEJRJSP-UHFFFAOYSA-N 2 0 265.426 1.402 10 0 CDAERP c1ccc([C@@H]2CC[N@@H+](CCN3CCC[NH2+]CC3)C2)cc1 ZINC000061275823 526492729 /nfs/dbraw/zinc/49/27/29/526492729.db2.gz LCLWFGFAGZIMJZ-QGZVFWFLSA-N 2 0 273.424 1.771 10 0 CDAERP O=C(NCc1ccc2c(c1)C[NH2+]C2)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000188680504 526695826 /nfs/dbraw/zinc/69/58/26/526695826.db2.gz KLRPXOIGCACGGG-JQFCIGGWSA-N 2 0 299.418 1.827 10 0 CDAERP [NH3+]CC1(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)CCOCC1 ZINC000052197754 527164206 /nfs/dbraw/zinc/16/42/06/527164206.db2.gz QQHMWWARXQMAED-KBPBESRZSA-N 2 0 268.401 1.385 10 0 CDAERP O=C(C[C@H]1CC[NH2+]C1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000227712916 527171010 /nfs/dbraw/zinc/17/10/10/527171010.db2.gz YZPSDAVJGVPSLT-CVEARBPZSA-N 2 0 287.407 1.377 10 0 CDAERP Nc1c[nH+]ccc1N1CCN(CCC[NH+]2CCCC2)CC1 ZINC000049333234 527536255 /nfs/dbraw/zinc/53/62/55/527536255.db2.gz YIZGRIZATGRYLT-UHFFFAOYSA-N 2 0 289.427 1.272 10 0 CDAERP CCC[NH+]1CCC(NC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000334604134 535353985 /nfs/dbraw/zinc/35/39/85/535353985.db2.gz TWXIMGVTINVSBQ-UKRRQHHQSA-N 2 0 294.443 1.254 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@H]1CCC[NH+](CC)C1 ZINC000176257586 535589372 /nfs/dbraw/zinc/58/93/72/535589372.db2.gz UQOBLKUJCDVEDZ-GJZGRUSLSA-N 2 0 296.459 1.596 10 0 CDAERP C[NH+](C)CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000253626550 535833106 /nfs/dbraw/zinc/83/31/06/535833106.db2.gz XNBKMKLZCSURPX-RRFJBIMHSA-N 2 0 254.418 1.954 10 0 CDAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCC(C)(C)[NH3+] ZINC000417196770 535938945 /nfs/dbraw/zinc/93/89/45/535938945.db2.gz PMKYFKYYFBJDFH-CQSZACIVSA-N 2 0 292.427 1.196 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](OC)c1ccccc1 ZINC000422728783 536594625 /nfs/dbraw/zinc/59/46/25/536594625.db2.gz AQHWXSIUUBXEFW-HUUCEWRRSA-N 2 0 266.385 1.718 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCC[NH+]1CCCCC1 ZINC000234716392 536595298 /nfs/dbraw/zinc/59/52/98/536595298.db2.gz BWGMKKHDCBNXOL-CQSZACIVSA-N 3 0 257.422 1.206 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H](c1ccsc1)N(C)C ZINC000422812087 536850645 /nfs/dbraw/zinc/85/06/45/536850645.db2.gz XERJWBGIAJXLNO-UONOGXRCSA-N 2 0 285.457 1.694 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CCOc2ccccc21 ZINC000422883642 536850695 /nfs/dbraw/zinc/85/06/95/536850695.db2.gz COUBMQYPIAREAG-KGLIPLIRSA-N 2 0 278.396 1.896 10 0 CDAERP CN(Cc1cccc2c1CC[NH2+]C2)C[C@@H]1CCC[N@@H+]1C ZINC000123998223 538418741 /nfs/dbraw/zinc/41/87/41/538418741.db2.gz PDIWJMFGDHCMRS-INIZCTEOSA-N 2 0 273.424 1.858 10 0 CDAERP C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650752850 574439305 /nfs/dbraw/zinc/43/93/05/574439305.db2.gz BUQWJLZFDUGODV-HZMBPMFUSA-N 2 0 251.349 1.324 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](CN2CCCC2=O)CC1 ZINC000738071912 576036435 /nfs/dbraw/zinc/03/64/35/576036435.db2.gz XLCLDQPUQUKSHT-UHFFFAOYSA-N 2 0 267.417 1.620 10 0 CDAERP CC(C)[N@H+](C)CC1CC[NH+](CN2CCOC2=S)CC1 ZINC000738088381 576037623 /nfs/dbraw/zinc/03/76/23/576037623.db2.gz BYNIUJFPGHGZLJ-UHFFFAOYSA-N 2 0 285.457 1.613 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001690101488 1175375183 /nfs/dbraw/zinc/37/51/83/1175375183.db2.gz CABKQWGBCAOTGH-HNNXBMFYSA-N 2 0 279.428 1.629 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000806926276 617394788 /nfs/dbraw/zinc/39/47/88/617394788.db2.gz XJSWCCKLHJNKMN-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP Cn1cc([C@H](O)C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)cn1 ZINC000925515877 617424676 /nfs/dbraw/zinc/42/46/76/617424676.db2.gz JOCMYNZBTIJUQK-BZUAXINKSA-N 2 0 292.427 1.211 10 0 CDAERP C[NH+](C)[C@]1(CN[C@H]2C[C@@H]([NH3+])C23CCC3)CCSC1 ZINC000925532831 617466527 /nfs/dbraw/zinc/46/65/27/617466527.db2.gz YIQBHVVBCWQVQA-AGIUHOORSA-N 2 0 269.458 1.283 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]CCc2cn3ccccc3n2)C12CCC2 ZINC000925535611 617469435 /nfs/dbraw/zinc/46/94/35/617469435.db2.gz HSIKEYRTTKKXIZ-KGLIPLIRSA-N 2 0 270.380 1.736 10 0 CDAERP COC1CC[NH+](CCN[C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925543267 617486753 /nfs/dbraw/zinc/48/67/53/617486753.db2.gz RGZBONFNHSTWFQ-HNNXBMFYSA-N 2 0 281.444 1.362 10 0 CDAERP CCNC(=O)C(C)(C)C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925605595 617549191 /nfs/dbraw/zinc/54/91/91/617549191.db2.gz FQXMSONZBRNKNE-RYUDHWBXSA-N 2 0 269.433 1.644 10 0 CDAERP CC(C)COC[C@H](O)C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925613240 617558387 /nfs/dbraw/zinc/55/83/87/617558387.db2.gz QURUOLSEPRQVPN-MGPQQGTHSA-N 2 0 272.433 1.516 10 0 CDAERP CC(C)CC[C@](C)(O)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925624606 617571745 /nfs/dbraw/zinc/57/17/45/617571745.db2.gz YMWMMBFXCSGUGO-PRFSMCDRSA-N 2 0 266.429 1.760 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc2c(c1)C[C@H](C)O2 ZINC000925830909 617850938 /nfs/dbraw/zinc/85/09/38/617850938.db2.gz IHFHNEKYUPWBEK-SWLSCSKDSA-N 2 0 278.396 1.854 10 0 CDAERP COCC[C@H](COC)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925677596 617645280 /nfs/dbraw/zinc/64/52/80/617645280.db2.gz VQLISHXBOHELNP-JHJVBQTASA-N 2 0 258.406 1.534 10 0 CDAERP CC(C)(CO)CC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925681423 617657075 /nfs/dbraw/zinc/65/70/75/617657075.db2.gz ZJGHHXKYKLAXPH-AGIUHOORSA-N 2 0 254.418 1.761 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000925691447 617693715 /nfs/dbraw/zinc/69/37/15/617693715.db2.gz NEAKDZDOAHOMFL-LJISPDSOSA-N 2 0 281.444 1.345 10 0 CDAERP CC1(C)C[C@@H]([NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)C[C@@H]([NH3+])C1 ZINC000925691444 617694026 /nfs/dbraw/zinc/69/40/26/617694026.db2.gz NEAKDZDOAHOMFL-BARDWOONSA-N 2 0 281.444 1.345 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1nccc2c1CCCC2 ZINC000925807141 617747450 /nfs/dbraw/zinc/74/74/50/617747450.db2.gz SYIJGENKIGMFMR-RCBQFDQVSA-N 2 0 289.423 1.802 10 0 CDAERP CCCC[C@H](C[NH3+])N[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925700955 617749282 /nfs/dbraw/zinc/74/92/82/617749282.db2.gz XSJHAQGNUSVOMZ-MQYQWHSLSA-N 2 0 253.434 1.870 10 0 CDAERP CC[C@@H]([NH2+]CCN1CCC([NH3+])CC1)C1(C(=O)OC)CCC1 ZINC000925814349 617761465 /nfs/dbraw/zinc/76/14/65/617761465.db2.gz HYLURVUKSHEZMW-CQSZACIVSA-N 2 0 297.443 1.121 10 0 CDAERP FCCOCC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925716538 617835314 /nfs/dbraw/zinc/83/53/14/617835314.db2.gz OTBHFGMZWGWCRQ-ZIAGYGMSSA-N 2 0 258.381 1.730 10 0 CDAERP CC[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)[C@H]1CCOC1 ZINC000925845022 617879177 /nfs/dbraw/zinc/87/91/77/617879177.db2.gz WFFNNOILZMYZTR-BYNSBNAKSA-N 2 0 252.402 1.923 10 0 CDAERP CC[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)C(C)C ZINC000925854109 617891800 /nfs/dbraw/zinc/89/18/00/617891800.db2.gz KQCQSEKXVOQAPK-OLZOCXBDSA-N 2 0 268.401 1.696 10 0 CDAERP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cn1 ZINC000925881121 617964215 /nfs/dbraw/zinc/96/42/15/617964215.db2.gz XOKSGJYZYHRJKL-YUTCNCBUSA-N 2 0 263.385 1.738 10 0 CDAERP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccnnc1 ZINC000925042463 618827075 /nfs/dbraw/zinc/82/70/75/618827075.db2.gz VAZALKMRHYAYRV-DZGCQCFKSA-N 2 0 289.427 1.296 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC[N@@H+]1C ZINC000928431782 619030536 /nfs/dbraw/zinc/03/05/36/619030536.db2.gz AVRRJVULPREQTR-SNPRPXQTSA-N 2 0 279.428 1.602 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CC[NH+]1C(C)(C)C ZINC000895740259 619818618 /nfs/dbraw/zinc/81/86/18/619818618.db2.gz OYORUVTXFOJDTN-UONOGXRCSA-N 2 0 281.444 1.850 10 0 CDAERP C[C@H]1C[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000896624665 620165256 /nfs/dbraw/zinc/16/52/56/620165256.db2.gz WQFMDBBRCPXHRH-RWMBFGLXSA-N 2 0 253.390 1.022 10 0 CDAERP C[C@H](C[NH2+]C1C[C@H]2CCC[C@@H]2C1)N1CC[NH+](C)CC1 ZINC000902793767 625409952 /nfs/dbraw/zinc/40/99/52/625409952.db2.gz LOOQHCNSCGTMTE-RBSFLKMASA-N 2 0 265.445 1.791 10 0 CDAERP Cc1cn(C(C)(C)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)cn1 ZINC000898012615 621256456 /nfs/dbraw/zinc/25/64/56/621256456.db2.gz ATQLSPWOOKUVMF-UONOGXRCSA-N 2 0 290.411 1.479 10 0 CDAERP CCO[C@H](CN[C@H]1CCCc2c1cnn2C)C[NH+](C)C ZINC000926967080 621636739 /nfs/dbraw/zinc/63/67/39/621636739.db2.gz ZTTPPHCLEISDKC-OCCSQVGLSA-N 2 0 280.416 1.354 10 0 CDAERP C[C@@H](C(=O)N1CC([NH+]2CCCC2)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000898612465 621819074 /nfs/dbraw/zinc/81/90/74/621819074.db2.gz GNIDVNOEIMNREQ-MCIONIFRSA-N 2 0 279.428 1.554 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C12CCC2 ZINC000898825888 621889126 /nfs/dbraw/zinc/88/91/26/621889126.db2.gz LJFSJSZGBPRDME-UPJWGTAASA-N 2 0 265.401 1.070 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=[NH2+])N[C@@H](C)C2CC2)C1 ZINC000899265039 622129310 /nfs/dbraw/zinc/12/93/10/622129310.db2.gz REFVGJGOKGVYKD-NWDGAFQWSA-N 2 0 252.406 1.629 10 0 CDAERP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[C@]12C[C@H]1COC21CCC1 ZINC000902461767 624853057 /nfs/dbraw/zinc/85/30/57/624853057.db2.gz RKXRFOXLLSEKSH-ZVDSWSACSA-N 2 0 276.424 1.923 10 0 CDAERP C1C[C@@H]2C[C@H]([NH2+][C@H]3CCO[C@]34CCOC4)CC[N@@H+]2C1 ZINC000903073627 625837609 /nfs/dbraw/zinc/83/76/09/625837609.db2.gz PJCPNALYZFOELH-KBXIAJHMSA-N 2 0 266.385 1.151 10 0 CDAERP COc1ccccc1C[N@H+](CCO)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903430772 625989692 /nfs/dbraw/zinc/98/96/92/625989692.db2.gz ASLSVKZKHIVZJF-HIFRSBDPSA-N 2 0 278.396 1.617 10 0 CDAERP C[C@H](O)C[N@@H+](Cc1ccccc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903431529 625989827 /nfs/dbraw/zinc/98/98/27/625989827.db2.gz YKKYEZFFDAZPQH-IMJJTQAJSA-N 2 0 262.397 1.997 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)C1 ZINC000903431584 625990020 /nfs/dbraw/zinc/99/00/20/625990020.db2.gz QNNTYRIQADOXDE-RRFJBIMHSA-N 2 0 279.428 1.352 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC([NH2+]CC3CC3)CC2)C1 ZINC000903424897 625993860 /nfs/dbraw/zinc/99/38/60/625993860.db2.gz KUIPICNDOGNIJN-UONOGXRCSA-N 2 0 251.418 1.578 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000903445642 625999220 /nfs/dbraw/zinc/99/92/20/625999220.db2.gz MMRWMHCGEZPFPS-CVEARBPZSA-N 2 0 295.471 1.419 10 0 CDAERP CCCN1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC1=O ZINC000903456025 626002344 /nfs/dbraw/zinc/00/23/44/626002344.db2.gz CNGHCHISOHKVOO-OLZOCXBDSA-N 2 0 253.390 1.058 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000903475828 626004986 /nfs/dbraw/zinc/00/49/86/626004986.db2.gz FAVDGPCMAFAVEC-VNHYZAJKSA-N 2 0 253.434 1.539 10 0 CDAERP CCC[N@H+](CC)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903872699 626127031 /nfs/dbraw/zinc/12/70/31/626127031.db2.gz AFGBMHRSBYWORV-LBPRGKRZSA-N 2 0 251.378 1.435 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCc3ccccc3C2)cnn1C ZINC000903874180 626128487 /nfs/dbraw/zinc/12/84/87/626128487.db2.gz UQLSXASOBDNRMX-HNNXBMFYSA-N 2 0 298.434 1.904 10 0 CDAERP CC[C@H](C)[N@@H+](CC(=O)OC)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903915466 626138684 /nfs/dbraw/zinc/13/86/84/626138684.db2.gz ZEHXABUSEPVAQS-FUDCBSFHSA-N 2 0 268.401 1.791 10 0 CDAERP CO[C@@H]1C[N@H+](C[C@H](C[NH3+])Cc2cnn(C)c2C)CC[C@H]1C ZINC000903911081 626144128 /nfs/dbraw/zinc/14/41/28/626144128.db2.gz WIBRDKWIBYPSTN-IVMMDQJWSA-N 2 0 294.443 1.203 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[NH2+]Cc2cccnc2)cnn1C ZINC000903925987 626148564 /nfs/dbraw/zinc/14/85/64/626148564.db2.gz QLTUAIKOCQBGNM-AWEZNQCLSA-N 2 0 273.384 1.031 10 0 CDAERP CC1(C[NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)CCC1 ZINC000903924855 626148634 /nfs/dbraw/zinc/14/86/34/626148634.db2.gz ITQZVVZFQKCAHJ-LBPRGKRZSA-N 2 0 263.389 1.482 10 0 CDAERP C[C@@]1([NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)CC=CCC1 ZINC000903929936 626150151 /nfs/dbraw/zinc/15/01/51/626150151.db2.gz ONJIRVWXLKFPKY-DZGCQCFKSA-N 2 0 275.400 1.791 10 0 CDAERP C[C@]1(CN2CCC([NH2+]C3CCOCC3)CC2)CC[NH2+]C1 ZINC000903947621 626164231 /nfs/dbraw/zinc/16/42/31/626164231.db2.gz CNTWKGHZNCXLLZ-INIZCTEOSA-N 2 0 281.444 1.219 10 0 CDAERP C[C@H](C[C@@H]1CCC[NH2+]1)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000903955737 626166941 /nfs/dbraw/zinc/16/69/41/626166941.db2.gz AVJPMNXBMNZQLE-WOPDTQHZSA-N 2 0 261.360 1.351 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000903973856 626168725 /nfs/dbraw/zinc/16/87/25/626168725.db2.gz HCOOREBMSZYXIX-BXUZGUMPSA-N 2 0 261.369 1.121 10 0 CDAERP C[C@H](O)c1ncc(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)s1 ZINC000903979083 626170439 /nfs/dbraw/zinc/17/04/39/626170439.db2.gz VBLXPXWSVQIQEB-OUAUKWLOSA-N 2 0 269.414 1.532 10 0 CDAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000903967418 626172220 /nfs/dbraw/zinc/17/22/20/626172220.db2.gz JHDUPZNRJRFLQC-KBXIAJHMSA-N 2 0 253.434 1.742 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1scnc1C1CC1 ZINC000903967730 626172238 /nfs/dbraw/zinc/17/22/38/626172238.db2.gz MGTGDOLXWBVKRK-KOLCDFICSA-N 2 0 251.399 1.966 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000903967473 626172318 /nfs/dbraw/zinc/17/23/18/626172318.db2.gz JSOCNRBVVXWPQI-CAEXGNQWSA-N 3 0 251.418 1.352 10 0 CDAERP [NH2+]=C(NCC[NH+]1CCCCCC1)NC[C@@H]1CCCS1 ZINC000905041345 626380556 /nfs/dbraw/zinc/38/05/56/626380556.db2.gz HPEONEYSRXFPML-ZDUSSCGKSA-N 2 0 284.473 1.872 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=[NH2+])NC[C@@H]1CCCS1 ZINC000905042617 626381829 /nfs/dbraw/zinc/38/18/29/626381829.db2.gz PMGCCXFUXWZEHR-RYUDHWBXSA-N 2 0 272.462 1.726 10 0 CDAERP C[C@@H](CNC(=[NH2+])NC[C@H]1CCCS1)C[NH+]1CCCC1 ZINC000905043649 626383044 /nfs/dbraw/zinc/38/30/44/626383044.db2.gz XJKDYDPCDFSAMI-QWHCGFSZSA-N 2 0 284.473 1.728 10 0 CDAERP [NH3+]C1(c2nc(CC3CC[NH2+]CC3)no2)CCCC1 ZINC000905318995 626746959 /nfs/dbraw/zinc/74/69/59/626746959.db2.gz SWLMANOIDDUHEO-UHFFFAOYSA-N 2 0 250.346 1.340 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC000908176870 628053053 /nfs/dbraw/zinc/05/30/53/628053053.db2.gz GDLQJWPDJFLSKF-HRCADAONSA-N 2 0 293.455 1.994 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH+](C)C)C12CCC2)[NH+](C)C ZINC000912600111 630084600 /nfs/dbraw/zinc/08/46/00/630084600.db2.gz CAKOALGWCZUACS-AVGNSLFASA-N 2 0 267.417 1.316 10 0 CDAERP O[C@H](CCC1(O)CCC1)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000929698021 630708702 /nfs/dbraw/zinc/70/87/02/630708702.db2.gz XILGUGITFBWSFJ-HZPDHXFCSA-N 2 0 296.455 1.460 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCOC)[C@@H](CC)C1 ZINC001670595934 1158655134 /nfs/dbraw/zinc/65/51/34/1158655134.db2.gz QNRBGRUFXLOSID-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000249970817 1158583338 /nfs/dbraw/zinc/58/33/38/1158583338.db2.gz OWFHUFYXOMAPGG-YNEHKIRRSA-N 2 0 255.406 1.350 10 0 CDAERP CC(C)COCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001270922211 1160230632 /nfs/dbraw/zinc/23/06/32/1160230632.db2.gz SGCQQUAWKUYWMD-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)C[NH2+]CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC001771779806 1161957593 /nfs/dbraw/zinc/95/75/93/1161957593.db2.gz URMWTWNYWWPUDJ-HZPDHXFCSA-N 2 0 289.423 1.494 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)[C@@H](O)c2cnc[nH]2)CC1 ZINC000865045617 1164606294 /nfs/dbraw/zinc/60/62/94/1164606294.db2.gz CUFRSRXKSODZSC-AWEZNQCLSA-N 2 0 294.399 1.024 10 0 CDAERP C[NH+](C)[C@@H]1CCCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC1 ZINC000870927412 1165235310 /nfs/dbraw/zinc/23/53/10/1165235310.db2.gz ZDLGKYBAIOCCSW-COMQUAJESA-N 2 0 265.401 1.057 10 0 CDAERP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158238 1165388545 /nfs/dbraw/zinc/38/85/45/1165388545.db2.gz UGNWDKRQCBFEKU-XIRDDKMYSA-N 3 0 297.487 1.576 10 0 CDAERP C[C@H](CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)[NH+](C)C ZINC001632580833 1166359573 /nfs/dbraw/zinc/35/95/73/1166359573.db2.gz IOFQBGMKFBDWIG-HZSPNIEDSA-N 2 0 269.433 1.563 10 0 CDAERP CC[C@H](C(=O)NC1CC(C[NH2+]CC2CC2)C1)[NH+](C)C ZINC001275310359 1166665785 /nfs/dbraw/zinc/66/57/85/1166665785.db2.gz HAACPBYTEFWORS-JXQTWKCFSA-N 2 0 267.417 1.221 10 0 CDAERP CC[N@H+](C)C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001566743879 1168406038 /nfs/dbraw/zinc/40/60/38/1168406038.db2.gz SHVGXUNEAWOPFK-CYBMUJFWSA-N 2 0 255.406 1.128 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCOC2CCC2)C1 ZINC001566779127 1168416573 /nfs/dbraw/zinc/41/65/73/1168416573.db2.gz NWMPYZCUCJBLCJ-AWEZNQCLSA-N 2 0 297.443 1.086 10 0 CDAERP Cc1n[nH]c(=O)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c1C ZINC001647187419 1168434481 /nfs/dbraw/zinc/43/44/81/1168434481.db2.gz YOQBZEXHTCGDKJ-YUELXQCFSA-N 2 0 290.411 1.761 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001567134952 1168589886 /nfs/dbraw/zinc/58/98/86/1168589886.db2.gz AZJZMDIPKUTYEB-UONOGXRCSA-N 2 0 267.417 1.319 10 0 CDAERP CC[C@H](C(=O)N(C)CC[NH2+]CCC(C)C)[NH+](C)C ZINC001567591594 1168877188 /nfs/dbraw/zinc/87/71/88/1168877188.db2.gz GCRYWGHJRHKCGG-CYBMUJFWSA-N 2 0 257.422 1.421 10 0 CDAERP CC/C=C\CC[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001567847605 1169015597 /nfs/dbraw/zinc/01/55/97/1169015597.db2.gz OQHUMYQORMPKSR-XVWMLYKFSA-N 2 0 279.428 1.342 10 0 CDAERP C[C@@H](C[NH2+]CCF)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001568308172 1169237939 /nfs/dbraw/zinc/23/79/39/1169237939.db2.gz ZHNZZYFGZHHBMD-ZDUSSCGKSA-N 2 0 273.396 1.124 10 0 CDAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC[C@@H]1CC(=O)N(C)C1 ZINC001650036090 1169635013 /nfs/dbraw/zinc/63/50/13/1169635013.db2.gz FSKYQPQRWOXLSD-DGCLKSJQSA-N 2 0 290.411 1.368 10 0 CDAERP c1cnn(CC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)c1 ZINC001656928144 1171900549 /nfs/dbraw/zinc/90/05/49/1171900549.db2.gz XMNYXSCYSAHCLQ-UHFFFAOYSA-N 2 0 268.324 1.254 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH2+]CCCCCF)C2)C1 ZINC001662541730 1172559222 /nfs/dbraw/zinc/55/92/22/1172559222.db2.gz RVJXTEOFAPLMGI-GJZGRUSLSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)CC[NH2+]Cc1ccccc1)[NH+](C)C ZINC001663996554 1172798846 /nfs/dbraw/zinc/79/88/46/1172798846.db2.gz YVXMVCUFQCHJOD-INIZCTEOSA-N 2 0 291.439 1.821 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1CCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001666458741 1173137226 /nfs/dbraw/zinc/13/72/26/1173137226.db2.gz ORJZPFCCASCWRY-HZPDHXFCSA-N 2 0 293.455 1.875 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001675792781 1174150062 /nfs/dbraw/zinc/15/00/62/1174150062.db2.gz ROUUXEZDVGBVGN-JYJNAYRXSA-N 2 0 295.471 1.859 10 0 CDAERP C[N@H+](CC(=O)N[C@H]1CC[C@@H](C[NH2+]CCCF)C1)C1CCC1 ZINC001676932522 1174295677 /nfs/dbraw/zinc/29/56/77/1174295677.db2.gz QIFREWIKJCUBMW-KGLIPLIRSA-N 2 0 299.434 1.705 10 0 CDAERP COCC[NH2+][C@@H]1CCCCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001689271734 1175133394 /nfs/dbraw/zinc/13/33/94/1175133394.db2.gz PPLMJCFIRBGGTM-OAHLLOKOSA-N 2 0 297.443 1.089 10 0 CDAERP CCCCCN1CC(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001692249343 1175714787 /nfs/dbraw/zinc/71/47/87/1175714787.db2.gz PWKCALCPDQAFTH-UHFFFAOYSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)=CC[NH+]1CC(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001692341987 1175741411 /nfs/dbraw/zinc/74/14/11/1175741411.db2.gz CNKLKVFUEMATJF-UHFFFAOYSA-N 2 0 293.455 1.733 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001698767507 1175925135 /nfs/dbraw/zinc/92/51/35/1175925135.db2.gz GXYWSPCKTRZVLW-LSDHHAIUSA-N 2 0 283.460 1.716 10 0 CDAERP CC(C)[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CCCF ZINC001698971997 1176001091 /nfs/dbraw/zinc/00/10/91/1176001091.db2.gz LTQLESZSTVJBGJ-UONOGXRCSA-N 2 0 287.423 1.418 10 0 CDAERP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)co1 ZINC001699087928 1176083518 /nfs/dbraw/zinc/08/35/18/1176083518.db2.gz LVQVPQLJZXFTKP-FZMZJTMJSA-N 2 0 294.399 1.062 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC ZINC001699263565 1176185108 /nfs/dbraw/zinc/18/51/08/1176185108.db2.gz LOBUGPOKGKTMOF-CFHLNLSMSA-N 2 0 253.390 1.143 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001699440691 1176404313 /nfs/dbraw/zinc/40/43/13/1176404313.db2.gz GWZZDKVHGGLVDZ-JSGCOSHPSA-N 2 0 267.417 1.173 10 0 CDAERP CCC[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001699528500 1176463177 /nfs/dbraw/zinc/46/31/77/1176463177.db2.gz HSEJKKAQVAYVSY-HNNXBMFYSA-N 2 0 283.460 1.957 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001699575873 1176479771 /nfs/dbraw/zinc/47/97/71/1176479771.db2.gz JPFQESDOBQLULN-KGLIPLIRSA-N 2 0 267.417 1.364 10 0 CDAERP CCCCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001700086767 1176743327 /nfs/dbraw/zinc/74/33/27/1176743327.db2.gz DKHCPZDTUHLRJB-HZPDHXFCSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCC1CC1 ZINC001700777923 1177129789 /nfs/dbraw/zinc/12/97/89/1177129789.db2.gz SISMTIFMKHEVOT-TZMCWYRMSA-N 2 0 267.417 1.175 10 0 CDAERP C[C@@H]1[C@H]([NH2+]CCF)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC001700859648 1177170124 /nfs/dbraw/zinc/17/01/24/1177170124.db2.gz OWPYTSNUDTXZCW-HUUCEWRRSA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001707091974 1177949770 /nfs/dbraw/zinc/94/97/70/1177949770.db2.gz UNDANWBJMOOABR-SHTZXODSSA-N 2 0 279.428 1.533 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)CC(C)C ZINC001707450645 1178054780 /nfs/dbraw/zinc/05/47/80/1178054780.db2.gz DDLFHYNYNUBVSP-INIZCTEOSA-N 2 0 295.471 1.812 10 0 CDAERP CC[C@@H](C)C[N@H+](CC)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001713027634 1178310897 /nfs/dbraw/zinc/31/08/97/1178310897.db2.gz AYIJGHXFCPIJHH-OAHLLOKOSA-N 2 0 295.471 1.957 10 0 CDAERP CCCC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001713126046 1178382551 /nfs/dbraw/zinc/38/25/51/1178382551.db2.gz ZGUOOTCKERRTSD-ZIAGYGMSSA-N 2 0 267.417 1.223 10 0 CDAERP CCCC[NH2+][C@H]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001713382788 1178529173 /nfs/dbraw/zinc/52/91/73/1178529173.db2.gz UGVMOQHTMBZZFG-GJZGRUSLSA-N 2 0 281.444 1.899 10 0 CDAERP CCC[N@H+](CCCNC(=O)C[C@@H]1CC[NH+](C)C1)C(C)C ZINC001713694274 1178713960 /nfs/dbraw/zinc/71/39/60/1178713960.db2.gz DULRFFIDWHEIJH-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CCCCC[NH+]1CC(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001713922115 1178849349 /nfs/dbraw/zinc/84/93/49/1178849349.db2.gz COGYNMZVEKWRDM-CQSZACIVSA-N 2 0 281.444 1.566 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001713949645 1178881892 /nfs/dbraw/zinc/88/18/92/1178881892.db2.gz YZBJIGZJBZKKBZ-KKUMJFAQSA-N 2 0 279.428 1.365 10 0 CDAERP O=C(N[C@H]1C[C@@H]([NH2+]CCCF)C1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001714009378 1178924753 /nfs/dbraw/zinc/92/47/53/1178924753.db2.gz HNJVPEIBOYPUAY-LXTVHRRPSA-N 2 0 297.418 1.600 10 0 CDAERP CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001714387057 1179117846 /nfs/dbraw/zinc/11/78/46/1179117846.db2.gz ZTQZUQNYNVZMLG-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)=CC[NH2+]CCN(C)C(=O)[C@H](C)Cc1c[nH]cn1 ZINC001714768504 1179387024 /nfs/dbraw/zinc/38/70/24/1179387024.db2.gz TURJTXIQJIIIRY-CYBMUJFWSA-N 2 0 278.400 1.603 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)CC[NH2+]Cc1cnccc1C ZINC001714785442 1179396714 /nfs/dbraw/zinc/39/67/14/1179396714.db2.gz NUVBTGZTTHLNBQ-UHFFFAOYSA-N 2 0 292.427 1.280 10 0 CDAERP C[C@H](C[NH2+]CC[C@H](C)F)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001714821241 1179410814 /nfs/dbraw/zinc/41/08/14/1179410814.db2.gz GVAMVTXXJUQNCT-QWHCGFSZSA-N 2 0 285.407 1.267 10 0 CDAERP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCCCCF)C1 ZINC001715033452 1179519468 /nfs/dbraw/zinc/51/94/68/1179519468.db2.gz WOTDCGLZKPJWNA-CABCVRRESA-N 2 0 299.434 1.611 10 0 CDAERP CC[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC=C(C)C ZINC001715083076 1179544560 /nfs/dbraw/zinc/54/45/60/1179544560.db2.gz INBOJHUZLYSQPZ-CABCVRRESA-N 2 0 281.444 1.779 10 0 CDAERP CC[NH2+]CCC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001715169546 1179569075 /nfs/dbraw/zinc/56/90/75/1179569075.db2.gz VNFKHSJSPQALKR-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]CC1CC1 ZINC001715432528 1179667152 /nfs/dbraw/zinc/66/71/52/1179667152.db2.gz YXIFVKLAXLZLFU-CVEARBPZSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@@H](CC[NH2+]C/C=C\Cl)NC(=O)C1CC[NH+](C)CC1 ZINC001715679497 1179762704 /nfs/dbraw/zinc/76/27/04/1179762704.db2.gz OCQDCRSOYSRDIJ-MIBUCLJRSA-N 2 0 287.835 1.565 10 0 CDAERP CC/C=C\CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001716013303 1179986121 /nfs/dbraw/zinc/98/61/21/1179986121.db2.gz FLOMRPGHDIDHMO-BEWKBBBFSA-N 2 0 281.444 1.873 10 0 CDAERP CCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001716138404 1180068485 /nfs/dbraw/zinc/06/84/85/1180068485.db2.gz DWWQSGPPXWNAEG-UONOGXRCSA-N 2 0 269.433 1.754 10 0 CDAERP CC(C)C[NH2+]CC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001716187928 1180088880 /nfs/dbraw/zinc/08/88/80/1180088880.db2.gz UAYUHMKAKGTKBP-UONOGXRCSA-N 2 0 269.433 1.469 10 0 CDAERP COC[C@H](C)[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001716293056 1180146567 /nfs/dbraw/zinc/14/65/67/1180146567.db2.gz ABKZRXBMPIIJLV-RWCKICOTSA-N 2 0 297.443 1.156 10 0 CDAERP O=C(NC/C=C\C[NH2+]CC1CCC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001716294968 1180146581 /nfs/dbraw/zinc/14/65/81/1180146581.db2.gz GCDGDJVOBDZFMC-STOZHHMFSA-N 2 0 291.439 1.390 10 0 CDAERP CC(C)CCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001716395798 1180183849 /nfs/dbraw/zinc/18/38/49/1180183849.db2.gz RVYZSHNBFOJOAK-RBSFLKMASA-N 2 0 283.460 1.857 10 0 CDAERP C[C@@H](C[NH2+]CC1=CCCCC1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001716452461 1180218649 /nfs/dbraw/zinc/21/86/49/1180218649.db2.gz DJTBKWZTNFOTGP-CABCVRRESA-N 2 0 293.455 1.923 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]CCCF)C1 ZINC001716974594 1180486512 /nfs/dbraw/zinc/48/65/12/1180486512.db2.gz CMZJYSFNTCJAOY-KBPBESRZSA-N 2 0 287.423 1.513 10 0 CDAERP CC[C@@H](C(=O)N(C)CCC[NH2+]C/C=C/Cl)[NH+](C)C ZINC001723124149 1181519904 /nfs/dbraw/zinc/51/99/04/1181519904.db2.gz VGBMTVFGLSEPMS-WMADIVHISA-N 2 0 275.824 1.517 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+][C@@H](C)COC ZINC001723205634 1181526132 /nfs/dbraw/zinc/52/61/32/1181526132.db2.gz ZOGQYYLOEVRHRN-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001723453766 1181567812 /nfs/dbraw/zinc/56/78/12/1181567812.db2.gz RITVPJTWZHREPM-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@](C)(C[NH2+]CCCF)C2)C1 ZINC001724258226 1181658401 /nfs/dbraw/zinc/65/84/01/1181658401.db2.gz FLYCDZRKNFDOLY-ZBFHGGJFSA-N 2 0 299.434 1.516 10 0 CDAERP COCC[NH2+]CC(C)(C)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001725147313 1181882696 /nfs/dbraw/zinc/88/26/96/1181882696.db2.gz ULTQZZBBYSDFAP-CQSZACIVSA-N 2 0 299.459 1.049 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)[N@H+](C)CC)[NH+](CC)CC ZINC001725182728 1181909106 /nfs/dbraw/zinc/90/91/06/1181909106.db2.gz WKKAJCPVCAIVMW-QWHCGFSZSA-N 2 0 257.422 1.563 10 0 CDAERP CC[NH2+]CCC[C@@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001725385223 1181983952 /nfs/dbraw/zinc/98/39/52/1181983952.db2.gz BDEUREUGDJUZJA-ZIAGYGMSSA-N 2 0 269.433 1.755 10 0 CDAERP CC(C)[NH2+]CCC[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001725466373 1182009956 /nfs/dbraw/zinc/00/99/56/1182009956.db2.gz KCPAMVCXZJPNBX-CYBMUJFWSA-N 2 0 257.422 1.610 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)C1CC([NH2+]CC=C(C)C)C1 ZINC001725784863 1182131138 /nfs/dbraw/zinc/13/11/38/1182131138.db2.gz DEKAMZOMCSEOLG-UHFFFAOYSA-N 2 0 281.444 1.873 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]CCCO ZINC001731292646 1182299190 /nfs/dbraw/zinc/29/91/90/1182299190.db2.gz JWVYNDXINMMDCC-LSDHHAIUSA-N 2 0 299.459 1.070 10 0 CDAERP CC[NH2+][C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001731396449 1182358995 /nfs/dbraw/zinc/35/89/95/1182358995.db2.gz LUBQYBQRSWMTDB-KGLIPLIRSA-N 2 0 267.417 1.365 10 0 CDAERP CC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)C1CC1 ZINC001731410411 1182370937 /nfs/dbraw/zinc/37/09/37/1182370937.db2.gz DXLSFVHYVWKLEX-ZIAGYGMSSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001731681564 1182515786 /nfs/dbraw/zinc/51/57/86/1182515786.db2.gz QQZNNDRORHWEEZ-LSDHHAIUSA-N 2 0 279.428 1.342 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]CCCC2CCC2)C1 ZINC001731952437 1182697665 /nfs/dbraw/zinc/69/76/65/1182697665.db2.gz OSAGEDKBACVWKZ-OAHLLOKOSA-N 2 0 295.471 1.957 10 0 CDAERP CC[C@H](C)C[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001731987409 1182715821 /nfs/dbraw/zinc/71/58/21/1182715821.db2.gz FKLAQASMERSAPF-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@](C)(C[NH2+]CCF)C1CC1 ZINC001732247286 1182882421 /nfs/dbraw/zinc/88/24/21/1182882421.db2.gz AYUDGWSHJXDBSX-DZGCQCFKSA-N 2 0 285.407 1.315 10 0 CDAERP CC/C=C\CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001732336014 1182912008 /nfs/dbraw/zinc/91/20/08/1182912008.db2.gz BXPXJOADWQHDKJ-RWCKICOTSA-N 2 0 281.444 1.779 10 0 CDAERP COCCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001732544239 1183002221 /nfs/dbraw/zinc/00/22/21/1183002221.db2.gz OANFKJMNGDRIKV-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP COCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001732734502 1183102605 /nfs/dbraw/zinc/10/26/05/1183102605.db2.gz RLZDTEYHXBUNNN-CABCVRRESA-N 2 0 299.459 1.380 10 0 CDAERP CC(C)CC[NH2+]CC[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001732745932 1183106592 /nfs/dbraw/zinc/10/65/92/1183106592.db2.gz KUSOMGKCLGJTCF-CABCVRRESA-N 2 0 283.460 1.859 10 0 CDAERP CCN(CC[NH2+]Cc1cc(C)no1)C(=O)C[N@H+](C)C(C)C ZINC001732811372 1183133790 /nfs/dbraw/zinc/13/37/90/1183133790.db2.gz AMAOWVIYDDNRQZ-UHFFFAOYSA-N 2 0 296.415 1.261 10 0 CDAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC[C@H](C)F ZINC001732849466 1183157908 /nfs/dbraw/zinc/15/79/08/1183157908.db2.gz FKVMLVKVDDEVNV-ZYOQUQOHSA-N 2 0 299.434 1.869 10 0 CDAERP CC(C)[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001733538328 1183458708 /nfs/dbraw/zinc/45/87/08/1183458708.db2.gz YLOLTJDUQRMXIK-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CCC[NH2+]CC[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001733664177 1183493046 /nfs/dbraw/zinc/49/30/46/1183493046.db2.gz QFWCTNXSNKEKIO-AWEZNQCLSA-N 2 0 281.444 1.566 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCOCC)CC1(C)C ZINC001734155102 1183677760 /nfs/dbraw/zinc/67/77/60/1183677760.db2.gz OXVVNNGWXBNFOS-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]CC1CCC1 ZINC001734354457 1183744696 /nfs/dbraw/zinc/74/46/96/1183744696.db2.gz LFBZZLYAMBCSKK-ZDUSSCGKSA-N 2 0 267.417 1.319 10 0 CDAERP CCCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001734401156 1183763462 /nfs/dbraw/zinc/76/34/62/1183763462.db2.gz XNJJEPASQBYJGS-DZGCQCFKSA-N 2 0 281.444 1.707 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@]12CCC[C@@H]1[NH+](CC)CC2 ZINC001734445137 1183780567 /nfs/dbraw/zinc/78/05/67/1183780567.db2.gz XJARLZYPKMBPLS-DZGCQCFKSA-N 2 0 267.417 1.461 10 0 CDAERP CC[NH2+]CCOCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001734614376 1183845606 /nfs/dbraw/zinc/84/56/06/1183845606.db2.gz KMNSMHFQADPHPO-HNNXBMFYSA-N 2 0 299.459 1.334 10 0 CDAERP CC[C@H](C)C[C@@H]([NH3+])C(=O)N1CCC([NH+](C)C)CC1 ZINC000400769306 1186377824 /nfs/dbraw/zinc/37/78/24/1186377824.db2.gz LBZMQVVVTLKPFX-WCQYABFASA-N 2 0 255.406 1.303 10 0 CDAERP C[NH+]1CCC(NC(=O)[C@@H]2[NH2+]CC[C@H]3CCCC[C@H]32)CC1 ZINC000312554420 1186701165 /nfs/dbraw/zinc/70/11/65/1186701165.db2.gz UWAASNOTOBLNMB-BPLDGKMQSA-N 2 0 279.428 1.365 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1cccc3c[nH]nc31)C2 ZINC001771826433 1186890964 /nfs/dbraw/zinc/89/09/64/1186890964.db2.gz VEDOJRLBYVWWNV-IYBDPMFKSA-N 2 0 270.380 1.994 10 0 CDAERP CC[NH+](CC)C1CCN(C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000384339396 1187268242 /nfs/dbraw/zinc/26/82/42/1187268242.db2.gz CCJHKFJNVFRZOC-KGLIPLIRSA-N 2 0 253.434 1.648 10 0 CDAERP CCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC([NH+]2CCCC2)C1 ZINC001650031650 1164277240 /nfs/dbraw/zinc/27/72/40/1164277240.db2.gz XBVXTXWQBMDUDN-OAHLLOKOSA-N 2 0 279.428 1.558 10 0 CDAERP CC1(C)CCC[N@@H+]1CCN[C@H]1CC[NH2+]C12CCC2 ZINC000925684154 739307868 /nfs/dbraw/zinc/30/78/68/739307868.db2.gz DIVUDILUHWKNAS-ZDUSSCGKSA-N 2 0 251.418 1.735 10 0 CDAERP COC/C(C)=C/C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000929284089 739458225 /nfs/dbraw/zinc/45/82/25/739458225.db2.gz OZNSJXZEDPSXRG-CRKCGEKBSA-N 2 0 282.428 1.623 10 0 CDAERP CN(C)[C@H](CC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])C(F)(F)F ZINC000925838514 739621243 /nfs/dbraw/zinc/62/12/43/739621243.db2.gz YGKUIRBCFJWOMM-IJLUTSLNSA-N 2 0 281.366 1.976 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)N2CCCC2)[C@H](C)C1 ZINC000838894581 739666250 /nfs/dbraw/zinc/66/62/50/739666250.db2.gz HVOCXGFGFDJQHJ-CABCVRRESA-N 2 0 281.444 1.661 10 0 CDAERP CC[NH2+]CCCNC(=O)C[C@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000841845526 739873279 /nfs/dbraw/zinc/87/32/79/739873279.db2.gz BQLIUMLCIVEHDG-LBPRGKRZSA-N 2 0 298.818 1.549 10 0 CDAERP C[NH+](C)CC(C)(C)CNC(=S)N1CC[NH+]2CCC1CC2 ZINC000787198525 739886513 /nfs/dbraw/zinc/88/65/13/739886513.db2.gz LIYYZZXYXURUST-UHFFFAOYSA-N 2 0 298.500 1.229 10 0 CDAERP CO[C@H](C[NH+]1CCC(O)(C[NH+](C)C)CC1)C1CCC1 ZINC000931479785 739967527 /nfs/dbraw/zinc/96/75/27/739967527.db2.gz BMQOWGFQKLHIFN-CQSZACIVSA-N 2 0 270.417 1.190 10 0 CDAERP Cc1ccc(O)c(C[NH2+]Cc2ccc(CC[NH3+])cc2)n1 ZINC000841031914 740087748 /nfs/dbraw/zinc/08/77/48/740087748.db2.gz BKKJVYOMCPNIJP-UHFFFAOYSA-N 2 0 271.364 1.887 10 0 CDAERP CSC[C@@H](O)C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923509879 740160693 /nfs/dbraw/zinc/16/06/93/740160693.db2.gz SWZJFJVXRHSPFI-HIFRSBDPSA-N 2 0 286.485 1.812 10 0 CDAERP OCCC[N@@H+](Cc1ccccc1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923389012 740161253 /nfs/dbraw/zinc/16/12/53/740161253.db2.gz RPRRAYPGMBOHIL-INIZCTEOSA-N 2 0 290.407 1.250 10 0 CDAERP Cc1cc(N[C@H]2CCC[N@@H+]3CCSC[C@H]23)cc[nH+]1 ZINC000720396760 740192322 /nfs/dbraw/zinc/19/23/22/740192322.db2.gz HXTWFGLWGGPEQN-UONOGXRCSA-N 2 0 263.410 1.804 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccnc(-c3ccccn3)n2)C1 ZINC000925761632 740244080 /nfs/dbraw/zinc/24/40/80/740244080.db2.gz DBEVHUCREZNTDU-OLZOCXBDSA-N 2 0 283.379 1.898 10 0 CDAERP Cc1nccn1CCCC[N@@H+]1[C@H](C)CC[C@H](C(N)=O)[C@H]1C ZINC000930909609 740244527 /nfs/dbraw/zinc/24/45/27/740244527.db2.gz RFNZEDZBPNKNMM-NFAWXSAZSA-N 2 0 292.427 1.946 10 0 CDAERP CN(C)Cc1cnc(C[NH2+]CCC2(C[NH3+])CC2)s1 ZINC000844903594 740286021 /nfs/dbraw/zinc/28/60/21/740286021.db2.gz HFLRAJZJNZAXIA-UHFFFAOYSA-N 2 0 268.430 1.423 10 0 CDAERP CC[C@H]1CCN(C(=[NH2+])NC[C@H](C)N2CC[NH+](CC)CC2)C1 ZINC000864451526 740307661 /nfs/dbraw/zinc/30/76/61/740307661.db2.gz CJPYZLQPYFGSKC-GJZGRUSLSA-N 2 0 295.475 1.269 10 0 CDAERP CC(C)C1CC([NH2+]C[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000232551239 740466278 /nfs/dbraw/zinc/46/62/78/740466278.db2.gz ZRTNXUCPZTTYCW-NEXFUWMNSA-N 2 0 252.402 1.874 10 0 CDAERP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000925882383 740520315 /nfs/dbraw/zinc/52/03/15/740520315.db2.gz OPWTVXHTLGNHEH-IQPAKEGGSA-N 3 0 297.446 1.632 10 0 CDAERP CC(C)C[C@H](CO)[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000924757072 740633415 /nfs/dbraw/zinc/63/34/15/740633415.db2.gz YHJJIYUSQWRTLX-ILXRZTDVSA-N 2 0 254.418 2.000 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1C[NH2+]CC1(C)C)C[NH+]1CCCCC1 ZINC000711235985 740696942 /nfs/dbraw/zinc/69/69/42/740696942.db2.gz GUWOQTNNLGPIST-UONOGXRCSA-N 2 0 281.444 1.470 10 0 CDAERP C[C@@H]1C[N@H+](CCC(=O)Nc2cccnc2)CC[C@@H]1C[NH3+] ZINC000923496498 740776046 /nfs/dbraw/zinc/77/60/46/740776046.db2.gz AEVIDKRCWMPRPF-CHWSQXEVSA-N 2 0 276.384 1.327 10 0 CDAERP [NH3+]CCCCCCC(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000843499340 740788726 /nfs/dbraw/zinc/78/87/26/740788726.db2.gz ZZBJPYVCEZIKCN-CABCVRRESA-N 2 0 281.444 1.886 10 0 CDAERP CCCC(=O)NC[C@@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923310321 740790034 /nfs/dbraw/zinc/79/00/34/740790034.db2.gz FJWXQBOZBDMIOK-AWEZNQCLSA-N 2 0 281.444 1.757 10 0 CDAERP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCOC1CCOCC1 ZINC000863542318 740622762 /nfs/dbraw/zinc/62/27/62/740622762.db2.gz PGKQDYISPPFDBU-AGUYFDCRSA-N 2 0 268.401 1.526 10 0 CDAERP [NH3+]CCCOC1CC[NH+](C[C@@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000715392455 740830605 /nfs/dbraw/zinc/83/06/05/740830605.db2.gz ZBNFFULPRJHCPR-HOTGVXAUSA-N 2 0 282.428 1.774 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC000870938151 740839837 /nfs/dbraw/zinc/83/98/37/740839837.db2.gz YHZKJHBWAGBGTH-KCPJHIHWSA-N 2 0 275.396 1.840 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccoc1 ZINC000925855829 740843469 /nfs/dbraw/zinc/84/34/69/740843469.db2.gz QIEKXKKNRQTLEY-AAEUAGOBSA-N 2 0 278.352 1.616 10 0 CDAERP CCO[C@H]1C[C@]([NH3+])(C(=O)N2CCC([NH+](C)C)CC2)C1(C)C ZINC000134024373 740852447 /nfs/dbraw/zinc/85/24/47/740852447.db2.gz WESVCYIVIAIHFV-BBRMVZONSA-N 2 0 297.443 1.072 10 0 CDAERP CSC[C@H](O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000923328738 740868828 /nfs/dbraw/zinc/86/88/28/740868828.db2.gz NGBIKQMWXHPZHQ-XQQFMLRXSA-N 2 0 258.431 1.174 10 0 CDAERP CS(=O)(=O)CCCCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925641093 740905560 /nfs/dbraw/zinc/90/55/60/740905560.db2.gz AGAYVCAOLNDHFR-LBPRGKRZSA-N 2 0 274.430 1.076 10 0 CDAERP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870872358 740980487 /nfs/dbraw/zinc/98/04/87/740980487.db2.gz RZMSNAXCPRCGHZ-ADVQIIOHSA-N 2 0 279.428 1.350 10 0 CDAERP C[C@H]1CN(C(=O)C[N@H+](C)CCCCCC[NH3+])C[C@H](C)O1 ZINC000710692004 741065509 /nfs/dbraw/zinc/06/55/09/741065509.db2.gz ABYRSPOYVHIFSD-KBPBESRZSA-N 2 0 285.432 1.073 10 0 CDAERP CC[NH+](CC)CCCNC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000868013855 741161534 /nfs/dbraw/zinc/16/15/34/741161534.db2.gz QZGICCQBUAFRSF-HUUCEWRRSA-N 2 0 296.459 1.454 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C[NH2+]1 ZINC000872309130 741200896 /nfs/dbraw/zinc/20/08/96/741200896.db2.gz QKVHAWWJCZDMTE-XQHKEYJVSA-N 2 0 253.390 1.151 10 0 CDAERP C[C@@H](C1CC1)[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000782183843 741300473 /nfs/dbraw/zinc/30/04/73/741300473.db2.gz AJYFWIFTHYNUPE-GXTWGEPZSA-N 2 0 265.401 1.023 10 0 CDAERP CC1(C)CCCN1CC[NH2+][C@@H]1CCOC12CCOCC2 ZINC000926556185 741330894 /nfs/dbraw/zinc/33/08/94/741330894.db2.gz ULBDMVQIHZSHCN-CQSZACIVSA-N 2 0 282.428 1.789 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000925833503 741340760 /nfs/dbraw/zinc/34/07/60/741340760.db2.gz SNCFHHOGZBVCPH-IVZWLZJFSA-N 2 0 254.296 1.528 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=[NH2+])N1CC[C@@H](CC)C1 ZINC000864458452 741348242 /nfs/dbraw/zinc/34/82/42/741348242.db2.gz ZGKYLRVLBPAPMV-CHWSQXEVSA-N 2 0 254.422 1.973 10 0 CDAERP CCOC(CN1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1)OCC ZINC000706203039 741375968 /nfs/dbraw/zinc/37/59/68/741375968.db2.gz MMFKANIXXZTQIW-GASCZTMLSA-N 2 0 270.417 1.659 10 0 CDAERP CCCCCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+](CC)C1 ZINC000118317953 741415198 /nfs/dbraw/zinc/41/51/98/741415198.db2.gz BNDVZQAUMXZPHU-HNNXBMFYSA-N 2 0 283.460 1.957 10 0 CDAERP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000925774557 741470160 /nfs/dbraw/zinc/47/01/60/741470160.db2.gz BBSPUTNFHULONV-JQWIXIFHSA-N 2 0 298.381 1.744 10 0 CDAERP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000923316209 741596917 /nfs/dbraw/zinc/59/69/17/741596917.db2.gz FCYHQHSJJMLJBR-BFHYXJOUSA-N 2 0 282.453 1.725 10 0 CDAERP CC[C@H]1CCCCN1C(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923513489 741751175 /nfs/dbraw/zinc/75/11/75/741751175.db2.gz AWFDWOWRKLWUPQ-BARDWOONSA-N 2 0 281.444 1.693 10 0 CDAERP CC1(C)CC[NH2+]CCN1C(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000872301156 741627881 /nfs/dbraw/zinc/62/78/81/741627881.db2.gz PXYCBBZCARVDNW-SZZPACECSA-N 2 0 265.401 1.143 10 0 CDAERP C[NH+](C)CC[C@H](N[C@H]1CC[NH2+]C1(C)C)c1cccnc1 ZINC000925828488 741642459 /nfs/dbraw/zinc/64/24/59/741642459.db2.gz XXGHUPZCYORSIH-GJZGRUSLSA-N 2 0 276.428 1.805 10 0 CDAERP C[NH+](C)C1(C)CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000931356007 741814493 /nfs/dbraw/zinc/81/44/93/741814493.db2.gz ZJYJEKFNSGVPPV-CQSZACIVSA-N 2 0 253.434 1.887 10 0 CDAERP CC[N@H+](C)C[C@@H](O)CN1CC[C@H](Oc2ccc(C)cn2)C1 ZINC000858040490 741827568 /nfs/dbraw/zinc/82/75/68/741827568.db2.gz OROGKNWAMQEKLV-CABCVRRESA-N 2 0 293.411 1.156 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC[C@H]1CCOC1 ZINC000926542923 741831986 /nfs/dbraw/zinc/83/19/86/741831986.db2.gz JFCXKRDNMRNNTG-RDGKXADDSA-N 2 0 252.402 1.733 10 0 CDAERP C[NH+](C)C1(CNC(=[NH2+])NC2CCCCC2)CCC1 ZINC000097925545 741856953 /nfs/dbraw/zinc/85/69/53/741856953.db2.gz UNWNSYBFUVUSBA-UHFFFAOYSA-N 2 0 252.406 1.917 10 0 CDAERP C[C@H](CN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1)[NH+](C)C ZINC000925496642 741863201 /nfs/dbraw/zinc/86/32/01/741863201.db2.gz RODXANQGCIQSRP-YUELXQCFSA-N 2 0 253.434 1.694 10 0 CDAERP Cn1cc(CNCC2=CC[N@H+](C)CC2)c(Cl)n1 ZINC000856776082 741865947 /nfs/dbraw/zinc/86/59/47/741865947.db2.gz ONXDSLKXLCYYOD-UHFFFAOYSA-N 2 0 254.765 1.425 10 0 CDAERP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CCC[NH2+]C3CC3)C2)C1 ZINC000923388285 741941716 /nfs/dbraw/zinc/94/17/16/741941716.db2.gz NMHMGKHIHZGSPR-SQWLQELKSA-N 3 0 281.444 1.347 10 0 CDAERP C[C@@H]1C[C@H]1NC(=[NH2+])NCCC[N@@H+]1CCCC[C@@H]1C ZINC000864450131 742008384 /nfs/dbraw/zinc/00/83/84/742008384.db2.gz FXRJFJKSUOFLHB-FRRDWIJNSA-N 2 0 252.406 1.773 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1)C[NH+](C)C ZINC000723639651 742056996 /nfs/dbraw/zinc/05/69/96/742056996.db2.gz SYPFXZWCFVTTFT-CBBWQLFWSA-N 2 0 254.418 1.979 10 0 CDAERP CCO[C@H](CC[NH+](C)C)CN[C@H]1CC[NH2+]C12CCCC2 ZINC000925539253 741982376 /nfs/dbraw/zinc/98/23/76/741982376.db2.gz AJZJRMALTNHMIB-CABCVRRESA-N 2 0 283.460 1.608 10 0 CDAERP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](CCCC2CC2)C1 ZINC000866712062 742211353 /nfs/dbraw/zinc/21/13/53/742211353.db2.gz QKFNJSLMKCWGJN-HZSPNIEDSA-N 2 0 279.384 1.044 10 0 CDAERP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1 ZINC000925849056 742219774 /nfs/dbraw/zinc/21/97/74/742219774.db2.gz HABMQOKSSCJDJO-MCIONIFRSA-N 2 0 296.411 1.219 10 0 CDAERP CC(C)N1CCC[C@H]([N@H+](C)CCCCCC[NH3+])C1=O ZINC000872155701 742337993 /nfs/dbraw/zinc/33/79/93/742337993.db2.gz SHVVUZQNJTZBEW-AWEZNQCLSA-N 2 0 269.433 1.837 10 0 CDAERP [NH3+]C[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@H]1C(F)(F)F ZINC000709801985 742347573 /nfs/dbraw/zinc/34/75/73/742347573.db2.gz HGWHCGLNOFQGSD-GMTAPVOTSA-N 2 0 266.307 1.625 10 0 CDAERP CCC[NH+]1CCC([NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000866445935 742439472 /nfs/dbraw/zinc/43/94/72/742439472.db2.gz BNTZAVHTIQEVMF-FHXAZYNBSA-N 2 0 264.413 1.874 10 0 CDAERP COC(=O)N(C)CC[N@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000852758524 742365480 /nfs/dbraw/zinc/36/54/80/742365480.db2.gz BHNOEQUTTTTYRO-UHFFFAOYSA-N 2 0 291.395 1.462 10 0 CDAERP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)C[C@H]1CC=CCC1 ZINC000784389588 742379928 /nfs/dbraw/zinc/37/99/28/742379928.db2.gz CQFBQDRGUJKHOK-LSDHHAIUSA-N 2 0 252.402 1.731 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCC2(C)OCCO2)[C@@H]2CCC[C@H]21 ZINC000796940491 742382974 /nfs/dbraw/zinc/38/29/74/742382974.db2.gz UFVCYGZCQGVGJD-MELADBBJSA-N 2 0 268.401 1.602 10 0 CDAERP CCn1nc(C)c([C@@H](C)[NH2+]CC2CC[NH+](CC)CC2)n1 ZINC000924954711 742383512 /nfs/dbraw/zinc/38/35/12/742383512.db2.gz IJMHFPJLTXNTIC-GFCCVEGCSA-N 2 0 279.432 1.989 10 0 CDAERP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@]2(CCc3ccccc32)C1 ZINC000872146886 742400777 /nfs/dbraw/zinc/40/07/77/742400777.db2.gz ZPPALORGPBQALT-DLBZAZTESA-N 2 0 274.408 1.547 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCOC[C@@H]2CCCO2)C1 ZINC000925497583 742435217 /nfs/dbraw/zinc/43/52/17/742435217.db2.gz IBFKUSSZXRCIFC-MCIONIFRSA-N 2 0 270.417 1.678 10 0 CDAERP O=C(C1CC[NH+](C2CC2)CC1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000868034617 739262468 /nfs/dbraw/zinc/26/24/68/739262468.db2.gz GOAVSZLASYYONV-GOEBONIOSA-N 2 0 291.439 1.461 10 0 CDAERP CC1(C)Cc2nc(CNC(C[NH3+])C[NH3+])sc2C(C)(C)C1 ZINC000923356666 739266355 /nfs/dbraw/zinc/26/63/55/739266355.db2.gz OVJHAOOWNQSZAI-UHFFFAOYSA-N 2 0 296.484 1.769 10 0 CDAERP C(C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923366737 739353992 /nfs/dbraw/zinc/35/39/92/739353992.db2.gz PXJBWFHCZWQHHT-HMQMGEFJSA-N 3 0 277.456 1.983 10 0 CDAERP CCn1ccnc1[C@@H](C)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925847819 739371817 /nfs/dbraw/zinc/37/18/17/739371817.db2.gz WBGPUXKTVQXRHJ-OAHLLOKOSA-N 2 0 293.459 1.629 10 0 CDAERP C[C@@H]1CC[N@H+](C[C@H]2CC3(CCC3)CO2)C[C@@H]1C[NH3+] ZINC000872144755 739377412 /nfs/dbraw/zinc/37/74/12/739377412.db2.gz INSOSAGOIHIZQK-HZSPNIEDSA-N 2 0 252.402 1.862 10 0 CDAERP C[C@](O)(C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)c1ccc(F)cc1 ZINC000925631887 739393623 /nfs/dbraw/zinc/39/36/23/739393623.db2.gz YCTHLYXBRDRVAS-ZNMIVQPWSA-N 2 0 278.371 1.893 10 0 CDAERP O[C@@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)C1(O)CCCC1 ZINC000929276042 739498206 /nfs/dbraw/zinc/49/82/06/739498206.db2.gz OAZFQVYTPGCWHK-INIZCTEOSA-N 2 0 296.455 1.460 10 0 CDAERP C[C@@H]1CC[C@H]([NH2+]CCN2CCC([NH3+])CC2)[C@@H](C)C1 ZINC000925813603 739564020 /nfs/dbraw/zinc/56/40/20/739564020.db2.gz XDOSDTNCEZZQFC-IPYPFGDCSA-N 2 0 253.434 1.824 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1COC2(CCCC2)O1 ZINC000817918425 739592892 /nfs/dbraw/zinc/59/28/92/739592892.db2.gz JKPWBKSDPBKGSA-CHWSQXEVSA-N 2 0 272.389 1.016 10 0 CDAERP c1cc(C[NH+]2CCC(C[NH2+]Cc3cncnc3)CC2)ccn1 ZINC000850362961 739626698 /nfs/dbraw/zinc/62/66/98/739626698.db2.gz WOQGAIFGVMRJKH-UHFFFAOYSA-N 2 0 297.406 1.873 10 0 CDAERP O[C@@H](C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)C1(O)CCCC1 ZINC000929719027 739737454 /nfs/dbraw/zinc/73/74/54/739737454.db2.gz LSIGGILFFHKGDF-CVEARBPZSA-N 2 0 296.455 1.460 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870886743 739795245 /nfs/dbraw/zinc/79/52/45/739795245.db2.gz QSYBDYGYMOBTKQ-ISXOHVOVSA-N 2 0 293.455 1.899 10 0 CDAERP C[N@@H+]1CCN(C(=O)[C@H]([NH3+])CC2CC2)CCC1(C)C ZINC000712674450 739855226 /nfs/dbraw/zinc/85/52/26/739855226.db2.gz SOLPHIGHLUNBSH-GFCCVEGCSA-N 2 0 253.390 1.057 10 0 CDAERP C[C@H](C1CC1)[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000930676127 739872715 /nfs/dbraw/zinc/87/27/15/739872715.db2.gz WNDJELYKBYEDHA-GFCCVEGCSA-N 2 0 252.402 1.611 10 0 CDAERP O=C(NCCC[NH2+][C@@H]1CC[NH2+]C12CCCC2)C1CCC1 ZINC000925577583 740048123 /nfs/dbraw/zinc/04/81/23/740048123.db2.gz UUSRVOVVSYRION-CQSZACIVSA-N 2 0 279.428 1.557 10 0 CDAERP COc1c[nH+]ccc1N1CC[NH+]([C@@H]2CC[C@@H](OC)C2)CC1 ZINC000852002576 740050041 /nfs/dbraw/zinc/05/00/41/740050041.db2.gz DDULDPQCCKMVDH-ZIAGYGMSSA-N 2 0 291.395 1.780 10 0 CDAERP C[C@H](C[C@@H]1COCCN1)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000715578659 740050539 /nfs/dbraw/zinc/05/05/39/740050539.db2.gz GAEIBGMWEGHEII-YHNBSYBMSA-N 2 0 283.460 1.606 10 0 CDAERP CN(C(=O)CCCC[NH+]1CCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000844192824 740062990 /nfs/dbraw/zinc/06/29/90/740062990.db2.gz VLIVLGWRUIEWJR-XYPWUTKMSA-N 2 0 293.455 1.994 10 0 CDAERP C[C@H]1[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCN1C ZINC000922556128 740066126 /nfs/dbraw/zinc/06/61/26/740066126.db2.gz YNHNBJFOWPBGQB-WFASDCNBSA-N 2 0 271.368 1.450 10 0 CDAERP COCC[N@H+](CCc1nnc(C)o1)CC1CC[NH+](C)CC1 ZINC000931381108 740139446 /nfs/dbraw/zinc/13/94/46/740139446.db2.gz VPUVEVLUSQUAGX-UHFFFAOYSA-N 2 0 296.415 1.211 10 0 CDAERP CCCCOC[C@H](O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000227910404 740200584 /nfs/dbraw/zinc/20/05/84/740200584.db2.gz CPOBYDKQDQPUJR-CVEARBPZSA-N 2 0 284.444 1.628 10 0 CDAERP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(-n2cnnn2)cc1 ZINC000925875898 740277675 /nfs/dbraw/zinc/27/76/75/740277675.db2.gz OTFZXHCULVQGTD-BZPMIXESSA-N 2 0 286.383 1.440 10 0 CDAERP CCO[C@H]1C[C@@H]([NH2+]CCN2CCC([NH3+])CC2)C12CCC2 ZINC000925815194 740356534 /nfs/dbraw/zinc/35/65/34/740356534.db2.gz OWHALHWQRJASES-CABCVRRESA-N 2 0 281.444 1.347 10 0 CDAERP FC1(C2CC2)CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000724801679 740369219 /nfs/dbraw/zinc/36/92/19/740369219.db2.gz DKYMCIBSFSUDQV-ZDUSSCGKSA-N 2 0 268.376 1.722 10 0 CDAERP C[C@@H]1CC[C@H](C)[C@H]([NH2+]CCN2CCC([NH3+])CC2)C1 ZINC000925816365 740453931 /nfs/dbraw/zinc/45/39/31/740453931.db2.gz FLZVGJNKLUMCHE-VNHYZAJKSA-N 2 0 253.434 1.824 10 0 CDAERP C[NH+](C)C[C@H](NC(=O)[C@H]([NH3+])CC1CC1)c1ccccc1 ZINC000312426218 740553420 /nfs/dbraw/zinc/55/34/20/740553420.db2.gz SXFIYJXSMSOGAH-CABCVRRESA-N 2 0 275.396 1.533 10 0 CDAERP C(C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)O[C@H]1CCOC1 ZINC000724947285 740584414 /nfs/dbraw/zinc/58/44/14/740584414.db2.gz CEODVOVHMJHRNT-CVEARBPZSA-N 2 0 282.428 1.504 10 0 CDAERP C[N@@H+]1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CCC1(C)C ZINC000712615418 740596388 /nfs/dbraw/zinc/59/63/88/740596388.db2.gz GBMIMIWJNURWIN-QWHCGFSZSA-N 2 0 267.417 1.447 10 0 CDAERP CC1CC[NH+](CCCC[NH2+]C[C@H](O)C2CC2)CC1 ZINC000818959135 740596653 /nfs/dbraw/zinc/59/66/53/740596653.db2.gz DPFNVJXWWSVDHF-HNNXBMFYSA-N 2 0 254.418 1.859 10 0 CDAERP O[C@H](CC1CCCC1)C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000923380292 740669576 /nfs/dbraw/zinc/66/95/76/740669576.db2.gz GBZCCLYQDDOWFP-CQSZACIVSA-N 2 0 252.402 1.756 10 0 CDAERP Cc1ccc(CN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])c(Cl)n1 ZINC000925765636 740777720 /nfs/dbraw/zinc/77/77/20/740777720.db2.gz MFUKSIBQTZDOQF-WCFLWFBJSA-N 2 0 283.803 1.885 10 0 CDAERP C[NH+](C)C1(CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CCCCC1 ZINC000713222116 740828362 /nfs/dbraw/zinc/82/83/62/740828362.db2.gz PPHJBHBVYGVKNH-WWGRRREGSA-N 2 0 279.428 1.495 10 0 CDAERP FC1(F)C[C@@]12CC[N@H+](C[C@H]1CC3(C[NH2+]C3)CO1)C2 ZINC000923393858 740852026 /nfs/dbraw/zinc/85/20/26/740852026.db2.gz ZLQDGZJXROFPLN-ZYHUDNBSSA-N 2 0 258.312 1.096 10 0 CDAERP Cn1nccc1C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925539156 740874837 /nfs/dbraw/zinc/87/48/37/740874837.db2.gz ZHHZVLNXLDQADA-HNNXBMFYSA-N 2 0 258.369 1.990 10 0 CDAERP CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000925336860 740914261 /nfs/dbraw/zinc/91/42/61/740914261.db2.gz NIWDCYIPLFYSKS-CHWSQXEVSA-N 2 0 270.421 1.061 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(CF)CCOCC1 ZINC000926529223 740978377 /nfs/dbraw/zinc/97/83/77/740978377.db2.gz WLDQRWHRJBELCI-PBWFPOADSA-N 2 0 270.392 1.683 10 0 CDAERP Cc1ccc2c(c1)CC[C@H]2[NH2+]CCN1CCC([NH3+])CC1 ZINC000925812644 740997555 /nfs/dbraw/zinc/99/75/55/740997555.db2.gz XRKAJWVAQNWIOL-QGZVFWFLSA-N 2 0 273.424 1.995 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)N2CC[NH+](C)C(C)(C)CC2)CC[N@@H+]1C ZINC000925345288 740998760 /nfs/dbraw/zinc/99/87/60/740998760.db2.gz PVUSQJVAGLXDDX-OLZOCXBDSA-N 2 0 282.432 1.205 10 0 CDAERP c1oc(-c2ccccc2)nc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000923462942 741191437 /nfs/dbraw/zinc/19/14/37/741191437.db2.gz APYGCQHMTZOHIU-UHFFFAOYSA-N 2 0 286.379 1.336 10 0 CDAERP CC[C@@H]1CCN(C(=[NH2+])NC[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000864453685 741218083 /nfs/dbraw/zinc/21/80/83/741218083.db2.gz AVUNKNRSNVWNQT-LSDHHAIUSA-N 2 0 295.475 1.126 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CCCCC[NH3+] ZINC000251929205 741257282 /nfs/dbraw/zinc/25/72/82/741257282.db2.gz YOOULPQUHGTQFQ-KGLIPLIRSA-N 2 0 267.417 1.591 10 0 CDAERP C[NH+](C)CCOCC[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000723617332 741336810 /nfs/dbraw/zinc/33/68/10/741336810.db2.gz ZQTUNLGGHHPSAJ-RBSFLKMASA-N 2 0 270.417 1.359 10 0 CDAERP C[C@H](CO[C@@H]1CCOC1)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925542269 741338771 /nfs/dbraw/zinc/33/87/71/741338771.db2.gz YLEMSGHCKQXPMC-FDYHWXHSSA-N 2 0 254.374 1.040 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=[NH2+])N1CCCCC1 ZINC000849046222 741451700 /nfs/dbraw/zinc/45/17/00/741451700.db2.gz AHTVKPDIFGSJAT-UHFFFAOYSA-N 2 0 254.422 1.975 10 0 CDAERP Cc1cc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)nn1C ZINC000925830516 741484669 /nfs/dbraw/zinc/48/46/69/741484669.db2.gz AOPZHLJIWBWEAC-ARFHVFGLSA-N 2 0 276.428 1.781 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+]CC1CCC(S(C)(=O)=O)CC1 ZINC000925800970 741518872 /nfs/dbraw/zinc/51/88/72/741518872.db2.gz HRGPNOIWPZLTDL-HSBZDZAISA-N 2 0 290.473 1.697 10 0 CDAERP C[C@H]1[C@@H](NC(=O)NCC2CC[NH+](C3CC3)CC2)CC[N@@H+]1C ZINC000922220633 741589701 /nfs/dbraw/zinc/58/97/01/741589701.db2.gz XZEDCECRQJXNCA-WFASDCNBSA-N 2 0 294.443 1.253 10 0 CDAERP CO[C@@H]1CC[C@H]([N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000852762355 741654455 /nfs/dbraw/zinc/65/44/55/741654455.db2.gz KUYXUELLPKKFRU-RRFJBIMHSA-N 2 0 270.417 1.597 10 0 CDAERP CC(C)C[N@H+](C[C@@H](O)[C@H](C)O)CC1CC[NH+](C)CC1 ZINC000931564650 741697834 /nfs/dbraw/zinc/69/78/34/741697834.db2.gz MLKIGGDBXBQLOB-DZGCQCFKSA-N 2 0 272.433 1.028 10 0 CDAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCc1ncn(C)n1 ZINC000647801512 741715784 /nfs/dbraw/zinc/71/57/84/741715784.db2.gz WWJDBOYALZFQDM-ZIAGYGMSSA-N 2 0 279.432 1.648 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H](O)Cc1ccccc1F ZINC000926868162 741749686 /nfs/dbraw/zinc/74/96/86/741749686.db2.gz ODWWZDDFWAAOSQ-AWVCJSPBSA-N 2 0 292.398 1.659 10 0 CDAERP C[NH+]1CCC(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)CC1 ZINC000709510068 741812585 /nfs/dbraw/zinc/81/25/85/741812585.db2.gz RCUPTHYYTKUNCO-HOTGVXAUSA-N 2 0 266.429 1.955 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H]2CCCCNC2=O)C1 ZINC000925537434 741841219 /nfs/dbraw/zinc/84/12/19/741841219.db2.gz XQWKFIVJXCWYMD-IJLUTSLNSA-N 2 0 253.390 1.151 10 0 CDAERP CCCCOC[C@H](O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000227912049 742060574 /nfs/dbraw/zinc/06/05/74/742060574.db2.gz YZDNWCQNGXXQSF-ZIAGYGMSSA-N 2 0 258.406 1.238 10 0 CDAERP C[C@H]1CN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CCN1C ZINC000810442408 742099160 /nfs/dbraw/zinc/09/91/60/742099160.db2.gz RRYCALOECVQCHJ-SWLSCSKDSA-N 2 0 285.407 1.361 10 0 CDAERP O=C(CCC12CC(C1)C[NH2+]2)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000870867863 742382015 /nfs/dbraw/zinc/38/20/15/742382015.db2.gz LSGKVIVUKOJYTC-IQXANGCESA-N 2 0 277.412 1.262 10 0 CDAERP C[C@H]1C[C@H]1NC(=[NH2+])NCC1([NH+]2CCSCC2)CCCC1 ZINC000864454554 742384766 /nfs/dbraw/zinc/38/47/66/742384766.db2.gz ODUOENITHQQPDZ-QWHCGFSZSA-N 2 0 296.484 1.870 10 0 CDAERP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925839787 742513323 /nfs/dbraw/zinc/51/33/23/742513323.db2.gz FDESMEBMANLKJV-HZPDHXFCSA-N 3 0 282.476 1.169 10 0 CDAERP CC(C)[C@H](C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1)[C@@H](C)[NH3+] ZINC000870994751 742533093 /nfs/dbraw/zinc/53/30/93/742533093.db2.gz UTSBGMVTIAGCCB-DVOMOZLQSA-N 2 0 283.460 1.829 10 0 CDAERP C[C@@H]1CCC[N@H+](CCC[NH2+]C2CC2)[C@@H]1CCC[NH3+] ZINC000923389955 742556104 /nfs/dbraw/zinc/55/61/04/742556104.db2.gz QVQPBCCXVYYMEM-UKRRQHHQSA-N 3 0 253.434 1.968 10 0 CDAERP Cn1cncc1CCC[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923447402 742571097 /nfs/dbraw/zinc/57/10/97/742571097.db2.gz RZJXVGPFLNNUCS-OAHLLOKOSA-N 2 0 292.427 1.183 10 0 CDAERP CC(C)COC[C@H](O)C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925614909 742597200 /nfs/dbraw/zinc/59/72/00/742597200.db2.gz YAQPNALKJXOUEX-BRWVUGGUSA-N 2 0 298.471 1.778 10 0 CDAERP CCOCC[C@@H](O)C[N@@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC000931314063 742680970 /nfs/dbraw/zinc/68/09/70/742680970.db2.gz JEGNDSCVRCYHPS-KFWWJZLASA-N 2 0 270.417 1.048 10 0 CDAERP COC(=O)C[C@@H]1C[N@H+](CCc2cncn2C)C[C@H]1C ZINC000932100820 742684265 /nfs/dbraw/zinc/68/42/65/742684265.db2.gz FSVSSBHEFYEUIJ-VXGBXAGGSA-N 2 0 265.357 1.094 10 0 CDAERP COCC[NH2+]C1CC[NH+](CCCCCC[NH3+])CC1 ZINC000846222077 742735215 /nfs/dbraw/zinc/73/52/15/742735215.db2.gz FGZLAKBFCNVQIA-UHFFFAOYSA-N 3 0 257.422 1.206 10 0 CDAERP COC(=O)/C=C(\C)CN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000930559570 742808979 /nfs/dbraw/zinc/80/89/79/742808979.db2.gz VYZOBTRYUAJKOU-BCNIOPEESA-N 2 0 252.358 1.133 10 0 CDAERP COc1ccccc1N1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000091548669 742814263 /nfs/dbraw/zinc/81/42/63/742814263.db2.gz OWJPLZAVZLVYEX-CABCVRRESA-N 2 0 289.423 1.945 10 0 CDAERP COC[C@H](C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1)C(C)C ZINC000923441043 742818021 /nfs/dbraw/zinc/81/80/21/742818021.db2.gz KCGKYFPDSANOEL-LSDHHAIUSA-N 2 0 284.444 1.735 10 0 CDAERP CN(CC[NH2+]C1[C@@H]2CC[C@H]1C[N@@H+](C)C2)CC(F)(F)F ZINC000925040865 742835371 /nfs/dbraw/zinc/83/53/71/742835371.db2.gz QZCFVFMIGMFQKH-FOSCPWQOSA-N 2 0 279.350 1.410 10 0 CDAERP CCCC[NH+]1CC(N(C)C(=O)CCC[NH+](C)C)C1 ZINC001671163119 1166516180 /nfs/dbraw/zinc/51/61/80/1166516180.db2.gz XYRSOMXNMDBVIR-UHFFFAOYSA-N 2 0 255.406 1.271 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N(C)CCC[NH+]1CCCC1 ZINC001635153122 1166563057 /nfs/dbraw/zinc/56/30/57/1166563057.db2.gz LKYDUGYUEZSHIF-AWEZNQCLSA-N 2 0 269.433 1.519 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[NH+](C)CC2(C)C)CC[N@@H+]1C ZINC001635649889 1166607990 /nfs/dbraw/zinc/60/79/90/1166607990.db2.gz SJCDWIJVOUZSKU-XQQFMLRXSA-N 2 0 267.417 1.173 10 0 CDAERP CCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001569820697 1167568193 /nfs/dbraw/zinc/56/81/93/1167568193.db2.gz UDRQMNYJBBLVFI-GJZGRUSLSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCCF)C1 ZINC001566841834 1168037122 /nfs/dbraw/zinc/03/71/22/1168037122.db2.gz HSBFGLHRZJHTKL-HZSPNIEDSA-N 2 0 285.407 1.457 10 0 CDAERP CC[C@H](F)C[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001566516750 1168317041 /nfs/dbraw/zinc/31/70/41/1168317041.db2.gz WYRWBNGXQVSNQD-OLZOCXBDSA-N 2 0 273.396 1.124 10 0 CDAERP CCCC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001566704403 1168393705 /nfs/dbraw/zinc/39/37/05/1168393705.db2.gz KWLONQNJYAWPIZ-KBPBESRZSA-N 2 0 267.417 1.365 10 0 CDAERP CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001483696807 912881818 /nfs/dbraw/zinc/88/18/18/912881818.db2.gz JSFJBKZSPHWZKA-LSDHHAIUSA-N 2 0 281.444 1.851 10 0 CDAERP CC(C)OCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001266694891 895849540 /nfs/dbraw/zinc/84/95/40/895849540.db2.gz DOAQFQMKKKSQLU-QLFBSQMISA-N 2 0 297.443 1.133 10 0 CDAERP CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001266712799 895888046 /nfs/dbraw/zinc/88/80/46/895888046.db2.gz DSLMVYZMNAATMV-XQQFMLRXSA-N 2 0 255.406 1.364 10 0 CDAERP CC[C@@H](C(=O)N(C)CC[NH2+]Cc1ccccc1)[NH+](C)C ZINC001266989503 896506746 /nfs/dbraw/zinc/50/67/46/896506746.db2.gz YYLRFXOFNIJDCV-HNNXBMFYSA-N 2 0 277.412 1.575 10 0 CDAERP CC(C)=CC[N@H+](C)CCNC(=O)C[NH+](C)CC(C)(C)C ZINC001480913831 896586097 /nfs/dbraw/zinc/58/60/97/896586097.db2.gz PXSOYKTVFWOYIB-UHFFFAOYSA-N 2 0 283.460 1.979 10 0 CDAERP CN(CC[NH2+]Cc1ccccc1)C(=O)C[NH+]1CCCC1 ZINC001567606329 1168884320 /nfs/dbraw/zinc/88/43/20/1168884320.db2.gz HYSGYJGMURQFRZ-UHFFFAOYSA-N 2 0 275.396 1.330 10 0 CDAERP CC(C)C[NH2+]CC[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001272641881 914291510 /nfs/dbraw/zinc/29/15/10/914291510.db2.gz PPUOMJYHRJYZEI-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP CCC[N@H+](CCNC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001481174468 899051437 /nfs/dbraw/zinc/05/14/37/899051437.db2.gz QXRQKRZINVQYOW-UHFFFAOYSA-N 2 0 293.455 1.853 10 0 CDAERP C[C@@H]1CC[C@@H](C[NH2+]CCN(C)C(=O)C2([NH+](C)C)CCC2)O1 ZINC001481239244 899570063 /nfs/dbraw/zinc/57/00/63/899570063.db2.gz NCNDUSWPHZBBRX-KGLIPLIRSA-N 2 0 297.443 1.086 10 0 CDAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC1(C[NH2+]CCF)CCCC1 ZINC001267847583 899863921 /nfs/dbraw/zinc/86/39/21/899863921.db2.gz ZGWPUQWJYQLUIG-KBPBESRZSA-N 2 0 299.434 1.847 10 0 CDAERP CCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](CC[C@@H](C)F)C1 ZINC001421374505 900346137 /nfs/dbraw/zinc/34/61/37/900346137.db2.gz RQNBYUFWPYVUMN-KGLIPLIRSA-N 2 0 287.423 1.609 10 0 CDAERP CCCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](CCOC)C1 ZINC001481411890 900584269 /nfs/dbraw/zinc/58/42/69/900584269.db2.gz LFEPVJXOZHMFRG-OAHLLOKOSA-N 2 0 297.443 1.042 10 0 CDAERP CCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001268071412 901100261 /nfs/dbraw/zinc/10/02/61/901100261.db2.gz OMXAUTYGCLOYQL-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC001567737322 1168940923 /nfs/dbraw/zinc/94/09/23/1168940923.db2.gz YMMCZCTUKHOUEL-AWEZNQCLSA-N 2 0 267.417 1.128 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCF ZINC001268098211 901279934 /nfs/dbraw/zinc/27/99/34/901279934.db2.gz OESKCKMVXBRBMD-STQMWFEESA-N 2 0 273.396 1.267 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC(C)C ZINC001481682329 901784450 /nfs/dbraw/zinc/78/44/50/901784450.db2.gz YNWQMVWWUOGPEK-GJZGRUSLSA-N 2 0 281.444 1.659 10 0 CDAERP CC[NH2+]CC[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001268425757 902040461 /nfs/dbraw/zinc/04/04/61/902040461.db2.gz HNTLZIWIEWVZPK-CYBMUJFWSA-N 2 0 255.406 1.367 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]CCc1ccns1 ZINC001268673861 902936908 /nfs/dbraw/zinc/93/69/08/902936908.db2.gz LOOONZDLIYLCOO-GFCCVEGCSA-N 2 0 298.456 1.120 10 0 CDAERP C[C@@H](C[NH2+]CCC1CC1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001268692004 902973553 /nfs/dbraw/zinc/97/35/53/902973553.db2.gz VKXJILHOOBTZKG-AWEZNQCLSA-N 2 0 293.455 1.757 10 0 CDAERP CC[NH2+]CCCN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001268847131 903177289 /nfs/dbraw/zinc/17/72/89/903177289.db2.gz DDEACFRUJCYPCN-HNNXBMFYSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@@H](C[NH2+]C/C=C\Cl)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482284456 904583337 /nfs/dbraw/zinc/58/33/37/904583337.db2.gz YEZOKPZMMHUSLE-AXSLOVRESA-N 2 0 287.835 1.516 10 0 CDAERP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1[NH2+]CCCF ZINC001271447573 906410361 /nfs/dbraw/zinc/41/03/61/906410361.db2.gz LKAMJUZILFVTDL-KBPBESRZSA-N 2 0 297.418 1.268 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001505446736 906984243 /nfs/dbraw/zinc/98/42/43/906984243.db2.gz RLQLKSDUGGSHQS-HUUCEWRRSA-N 2 0 281.444 1.661 10 0 CDAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CCCF ZINC001482831463 908409919 /nfs/dbraw/zinc/40/99/19/908409919.db2.gz NBXDGVHWQZEIHX-KGLIPLIRSA-N 2 0 287.423 1.703 10 0 CDAERP C[C@@H](CC[NH2+]CCC(F)(F)F)NC(=O)C[NH+]1CCCC1 ZINC001482898581 908462028 /nfs/dbraw/zinc/46/20/28/908462028.db2.gz FWHOTTOASDLZSX-NSHDSACASA-N 2 0 295.349 1.519 10 0 CDAERP CC(C)[NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001483042194 908808582 /nfs/dbraw/zinc/80/85/82/908808582.db2.gz GJFIVEQZNDZLGP-WAYWQWQTSA-N 2 0 267.417 1.531 10 0 CDAERP CC(C)[NH2+]C/C=C\CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001483097351 909337536 /nfs/dbraw/zinc/33/75/36/909337536.db2.gz JLVGPKHEFRSUAD-YOQOKRQFSA-N 2 0 267.417 1.530 10 0 CDAERP C[C@@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001483214828 910083871 /nfs/dbraw/zinc/08/38/71/910083871.db2.gz JXXNGSFEAKTHDM-STQMWFEESA-N 2 0 269.433 1.611 10 0 CDAERP CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1cnc(C)o1)[NH+](C)C ZINC001425599228 910369687 /nfs/dbraw/zinc/36/96/87/910369687.db2.gz RNFJGPBVBJMKNL-BXUZGUMPSA-N 2 0 296.415 1.260 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cc(C)no1 ZINC001409420456 910388142 /nfs/dbraw/zinc/38/81/42/910388142.db2.gz DSWSSXXEEUQSPD-CHWSQXEVSA-N 2 0 296.415 1.308 10 0 CDAERP CCC(CC)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001483318193 910863616 /nfs/dbraw/zinc/86/36/16/910863616.db2.gz BIKFPTXOCGVKCH-ZFWWWQNUSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001483318440 910865938 /nfs/dbraw/zinc/86/59/38/910865938.db2.gz CNCVGHKFUHADHF-ZIAGYGMSSA-N 2 0 269.433 1.563 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC)C1CC1 ZINC001483564311 911258975 /nfs/dbraw/zinc/25/89/75/911258975.db2.gz MHSIUDMEFURBED-KBPBESRZSA-N 2 0 267.417 1.365 10 0 CDAERP CC[C@@H](O)C[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001648659805 1169146792 /nfs/dbraw/zinc/14/67/92/1169146792.db2.gz HFQZTABUABQWBI-KFWWJZLASA-N 2 0 252.402 1.565 10 0 CDAERP C[NH+](C)CCC(=O)NC1(C)CC[NH+](CCC2CC2)CC1 ZINC001483970573 915247252 /nfs/dbraw/zinc/24/72/52/915247252.db2.gz DMAZPNJGBLMSGH-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NC[C@H](C3CC3)[NH+](C)C)C[N@@H+]2C1 ZINC001649284312 1169169694 /nfs/dbraw/zinc/16/96/94/1169169694.db2.gz MRGHBHMORYFWMB-DMRZNYOFSA-N 2 0 293.455 1.563 10 0 CDAERP CC(C)[N@H+](C)[C@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001485312669 916792517 /nfs/dbraw/zinc/79/25/17/916792517.db2.gz IHJUMEWCQZDPOL-ZIAGYGMSSA-N 2 0 269.433 1.706 10 0 CDAERP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH+](C)CCCF ZINC001485372935 916925293 /nfs/dbraw/zinc/92/52/93/916925293.db2.gz GPSLRLFSHQXFLH-CHWSQXEVSA-N 2 0 273.396 1.124 10 0 CDAERP C[C@@H](CCC[NH2+]CCCF)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001485732565 917227898 /nfs/dbraw/zinc/22/78/98/917227898.db2.gz JZHFTYAYUPSFOO-QWHCGFSZSA-N 2 0 273.396 1.315 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]C/C=C/Cl ZINC001485912033 920569375 /nfs/dbraw/zinc/56/93/75/920569375.db2.gz IWMBYWRFXKGUNW-KELULYIISA-N 2 0 287.835 1.660 10 0 CDAERP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CC1CC(C)(C)C1 ZINC001485918522 920575570 /nfs/dbraw/zinc/57/55/70/920575570.db2.gz GMOYAOXMDAQWBF-ZDUSSCGKSA-N 2 0 283.460 1.811 10 0 CDAERP CC/C=C/CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2ncc[nH]2)C1 ZINC001486129154 920733136 /nfs/dbraw/zinc/73/31/36/920733136.db2.gz MQRSJZBBHWUDRW-KOABKASLSA-N 2 0 290.411 1.888 10 0 CDAERP CC(C)[NH2+]C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001486419919 920991359 /nfs/dbraw/zinc/99/13/59/920991359.db2.gz MLCJMPPIKYPBTB-UONOGXRCSA-N 2 0 283.460 1.857 10 0 CDAERP CC/C=C/CC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001490958124 936835552 /nfs/dbraw/zinc/83/55/52/936835552.db2.gz OUSVVNJTRDGRAS-WYBFMYJOSA-N 2 0 281.444 1.920 10 0 CDAERP COCCC[NH2+][C@H]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001491026060 936843950 /nfs/dbraw/zinc/84/39/50/936843950.db2.gz IRGOVHNXQHAEHW-ZNMIVQPWSA-N 2 0 297.443 1.134 10 0 CDAERP CCCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001273176663 923799950 /nfs/dbraw/zinc/79/99/50/923799950.db2.gz XDRWDCIMFQLRFL-QWHCGFSZSA-N 2 0 255.406 1.223 10 0 CDAERP C[C@H](CC[NH2+]Cc1ccns1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001273176200 923796789 /nfs/dbraw/zinc/79/67/89/923796789.db2.gz PMOFDEIKWYFNQO-NEPJUHHUSA-N 2 0 296.440 1.079 10 0 CDAERP CC(C)=CC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001568362923 1169261989 /nfs/dbraw/zinc/26/19/89/1169261989.db2.gz MGKKJESFSJUADV-GJZGRUSLSA-N 2 0 281.444 1.731 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2C[NH2+]CCCF)C1 ZINC001491263444 936886422 /nfs/dbraw/zinc/88/64/22/936886422.db2.gz HZKOOTBSGHXBEB-GJZGRUSLSA-N 2 0 299.434 1.659 10 0 CDAERP CCCCC[NH2+][C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001491477441 936922476 /nfs/dbraw/zinc/92/24/76/936922476.db2.gz JCFZLTVFRZJWFY-CYBMUJFWSA-N 2 0 269.433 1.755 10 0 CDAERP C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]C/C=C/Cl ZINC001491493856 936924436 /nfs/dbraw/zinc/92/44/36/936924436.db2.gz ADEXBBHSELOQRV-LVDDQXARSA-N 2 0 299.846 1.709 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001410491375 925820127 /nfs/dbraw/zinc/82/01/27/925820127.db2.gz LJNFVFKHQIZBHO-CHWSQXEVSA-N 2 0 285.407 1.267 10 0 CDAERP CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Cn1ccnc1 ZINC001413796325 937044513 /nfs/dbraw/zinc/04/45/13/937044513.db2.gz YTIAOLNNEOFZED-LSDHHAIUSA-N 2 0 290.411 1.604 10 0 CDAERP COCC[N@@H+]1CC[C@]2(NC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001410887131 926731053 /nfs/dbraw/zinc/73/10/53/926731053.db2.gz CQOJFVLNQOEHIG-GDBMZVCRSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)[NH2+]C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001279181084 926908219 /nfs/dbraw/zinc/90/82/19/926908219.db2.gz DCTOEXOCMPYBSN-GJZGRUSLSA-N 2 0 283.460 1.811 10 0 CDAERP O=C(NC[C@@H]([NH2+]CCC1CC1)C1CC1)C12CC[NH+](CC1)C2 ZINC001490728971 927300718 /nfs/dbraw/zinc/30/07/18/927300718.db2.gz QVFOKKDVWKRESS-OAHLLOKOSA-N 2 0 291.439 1.367 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001136345217 930922234 /nfs/dbraw/zinc/92/22/34/930922234.db2.gz NKKJPPCYFWSHCQ-ZDUSSCGKSA-N 2 0 269.433 1.517 10 0 CDAERP COCCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001274446558 931500817 /nfs/dbraw/zinc/50/08/17/931500817.db2.gz QBKPNAYIYDHOGI-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000844197726 931558527 /nfs/dbraw/zinc/55/85/27/931558527.db2.gz RDHFNUAYFPXEFW-GFCCVEGCSA-N 2 0 289.370 1.366 10 0 CDAERP COCC[NH2+]C[C@@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001274773305 931573421 /nfs/dbraw/zinc/57/34/21/931573421.db2.gz LYOGYRJFGURMQM-LLVKDONJSA-N 2 0 299.440 1.164 10 0 CDAERP CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001274894767 931604280 /nfs/dbraw/zinc/60/42/80/931604280.db2.gz PBRAOFAVFSLFLE-AGIUHOORSA-N 2 0 255.406 1.221 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC2CC(C[NH2+]CCCF)C2)C1 ZINC001275284232 931724316 /nfs/dbraw/zinc/72/43/16/931724316.db2.gz HNAWBBFFICCPAO-HSBZDZAISA-N 2 0 285.407 1.172 10 0 CDAERP C[C@@H](C[NH2+]CCC(C)(C)C)NC(=O)CC[NH+](C)C ZINC001275291806 931726165 /nfs/dbraw/zinc/72/61/65/931726165.db2.gz OGFMCKJHODZSLJ-LBPRGKRZSA-N 2 0 257.422 1.469 10 0 CDAERP CN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C1CC[NH+](C)CC1 ZINC001411609240 931914422 /nfs/dbraw/zinc/91/44/22/931914422.db2.gz IBRXIEWUHFONNG-DZGCQCFKSA-N 2 0 281.444 1.659 10 0 CDAERP C[C@@H](C[N@H+](C)CC1=CCCCC1)NC(=O)CC[NH+](C)C ZINC001275637205 931920038 /nfs/dbraw/zinc/92/00/38/931920038.db2.gz JIGVAIYRRVUYOU-AWEZNQCLSA-N 2 0 281.444 1.875 10 0 CDAERP C[NH2+]C[C@H](C)CNC(=O)NCCC[N@H+](C)CC(C)C ZINC001118313945 937615530 /nfs/dbraw/zinc/61/55/30/937615530.db2.gz SNVPLKSWEQTLGS-ZDUSSCGKSA-N 2 0 272.437 1.119 10 0 CDAERP C[C@@H](F)CC[NH2+]CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001276209454 932643042 /nfs/dbraw/zinc/64/30/42/932643042.db2.gz VYNDYQFQVRCGSV-CYBMUJFWSA-N 2 0 287.423 1.514 10 0 CDAERP COc1ccc([C@H](N[C@@H]2C[NH2+]C[C@H]2C)[C@@H]2CCC[NH2+]2)cc1 ZINC000925784408 932939462 /nfs/dbraw/zinc/93/94/62/932939462.db2.gz NGFLUFIVVFGELZ-ZFVVBOAOSA-N 2 0 289.423 1.686 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000722550310 945085140 /nfs/dbraw/zinc/08/51/40/945085140.db2.gz PUMGFXIKNGCLQF-MGPQQGTHSA-N 2 0 267.417 1.175 10 0 CDAERP CCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001568633743 1169409228 /nfs/dbraw/zinc/40/92/28/1169409228.db2.gz MAHIBSJVOYDXEK-YNEHKIRRSA-N 2 0 255.406 1.221 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NCC12CCC[NH+](CCC1)C2 ZINC001123939859 936251455 /nfs/dbraw/zinc/25/14/55/936251455.db2.gz MILWVTYYSZFJEC-CYBMUJFWSA-N 2 0 265.401 1.073 10 0 CDAERP Cc1ccc(C(=O)NCC[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000405263260 940977805 /nfs/dbraw/zinc/97/78/05/940977805.db2.gz PZLMRQPISROWCG-CABCVRRESA-N 2 0 287.407 1.584 10 0 CDAERP CCN(CC[NH2+]CCCF)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001568744083 1169459163 /nfs/dbraw/zinc/45/91/63/1169459163.db2.gz ZGCUKUPKUODGKD-CQSZACIVSA-N 2 0 285.407 1.126 10 0 CDAERP CCCC[NH2+][C@]1(CO)CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001281184870 942547132 /nfs/dbraw/zinc/54/71/32/942547132.db2.gz OUAAHAJWVIZHGV-MRXNPFEDSA-N 2 0 299.459 1.071 10 0 CDAERP C[NH+](C)C1(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CCCC1 ZINC001362125605 970918146 /nfs/dbraw/zinc/91/81/46/970918146.db2.gz CWHRYLHQLPWGIO-HNNXBMFYSA-N 2 0 293.455 1.805 10 0 CDAERP CCCC[NH2+][C@H](C)[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001282181390 942674145 /nfs/dbraw/zinc/67/41/45/942674145.db2.gz ACTGESGUKNNKRT-CHWSQXEVSA-N 2 0 269.433 1.611 10 0 CDAERP CCOCCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001282413051 942706214 /nfs/dbraw/zinc/70/62/14/942706214.db2.gz QDKJQTDWDPGZRO-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP COCC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001282549214 942729137 /nfs/dbraw/zinc/72/91/37/942729137.db2.gz HQXPOZHBMFIQGS-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP CCCC[NH+]1CC([C@H](C)NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001282737609 942746612 /nfs/dbraw/zinc/74/66/12/942746612.db2.gz NDSYDIMLEVISLH-GXTWGEPZSA-N 2 0 269.433 1.563 10 0 CDAERP C[C@H](CCC[NH2+]CC1CC1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001283241119 942865576 /nfs/dbraw/zinc/86/55/76/942865576.db2.gz YJQSCDQLSFQIHH-ZIAGYGMSSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CCCF)CN1C(=O)C1CC[NH+](C)CC1 ZINC001284003974 943045941 /nfs/dbraw/zinc/04/59/41/943045941.db2.gz NGOOIQMQUHLRDQ-OCCSQVGLSA-N 2 0 285.407 1.267 10 0 CDAERP CC[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+]2CC[C@H](F)C2)C1 ZINC001362167132 970968112 /nfs/dbraw/zinc/96/81/12/970968112.db2.gz LJISLCRUXIEYDT-KBPBESRZSA-N 2 0 285.407 1.268 10 0 CDAERP CCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CC ZINC001332782612 943188202 /nfs/dbraw/zinc/18/82/02/943188202.db2.gz HVFNFJGBKXGBIG-ZIAGYGMSSA-N 2 0 267.417 1.461 10 0 CDAERP CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC000722168136 943962843 /nfs/dbraw/zinc/96/28/43/943962843.db2.gz ZZUIYNWCNAOWSP-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CCCC[NH+](C)C ZINC001264377285 944119378 /nfs/dbraw/zinc/11/93/78/944119378.db2.gz YTLAPBNBLOKUNN-OAHLLOKOSA-N 2 0 283.460 1.907 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C[NH2+]CCF)C2)C1 ZINC001265624247 944450001 /nfs/dbraw/zinc/45/00/01/944450001.db2.gz OLXVEECBJTZRAK-KGLIPLIRSA-N 2 0 285.407 1.126 10 0 CDAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC1CCC1 ZINC001265824569 944526507 /nfs/dbraw/zinc/52/65/07/944526507.db2.gz YXAYDHFEKUDSPY-QWHCGFSZSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]CC[C@H](C)F ZINC001265870002 944549119 /nfs/dbraw/zinc/54/91/19/944549119.db2.gz HKDJWWRHWHQBKC-NWDGAFQWSA-N 2 0 261.385 1.169 10 0 CDAERP C[NH+](C)CCC(=O)NCCC[N@H+](C)Cc1cncc(F)c1 ZINC001265917588 944572055 /nfs/dbraw/zinc/57/20/55/944572055.db2.gz UXFFJZZHISOBOH-UHFFFAOYSA-N 2 0 296.390 1.111 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001266042444 944650230 /nfs/dbraw/zinc/65/02/30/944650230.db2.gz BQQRKYQCJZIUQF-OAHLLOKOSA-N 2 0 281.444 1.565 10 0 CDAERP COC[C@H](C)[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001266125430 944699005 /nfs/dbraw/zinc/69/90/05/944699005.db2.gz AOKGKXNBYQSVHM-ZFWWWQNUSA-N 2 0 297.443 1.086 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@H](C(C)C)[NH+](C)C)C1CC1 ZINC001266168685 944728164 /nfs/dbraw/zinc/72/81/64/944728164.db2.gz ASIVMDRARBQJDK-AWEZNQCLSA-N 2 0 269.433 1.563 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CCCNC(=O)CC[NH+](C)C ZINC001266231827 944770949 /nfs/dbraw/zinc/77/09/49/944770949.db2.gz QMHKUSMLSMJEPZ-CYBMUJFWSA-N 2 0 255.406 1.319 10 0 CDAERP CCC[NH2+]C/C=C/CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001568948565 1169559770 /nfs/dbraw/zinc/55/97/70/1169559770.db2.gz RXWCKWLIJQGFFT-ONEGZZNKSA-N 2 0 293.455 1.780 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCCF)C1 ZINC001479368262 971314354 /nfs/dbraw/zinc/31/43/54/971314354.db2.gz HLMXIJHJADOLQV-KKUMJFAQSA-N 2 0 299.434 1.705 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@H](C[NH2+]CCF)C(C)(C)C)C1 ZINC001279022446 948609712 /nfs/dbraw/zinc/60/97/12/948609712.db2.gz VHOROJCVLWWKET-QWHCGFSZSA-N 2 0 287.423 1.418 10 0 CDAERP CCCC[N@@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001479966445 971516117 /nfs/dbraw/zinc/51/61/17/971516117.db2.gz PEIWAIGZFHCGQW-CQSZACIVSA-N 2 0 297.443 1.088 10 0 CDAERP CCCC[NH2+][C@@H](CNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001480024008 971542809 /nfs/dbraw/zinc/54/28/09/971542809.db2.gz QFSDYUVWKJEVTI-AWEZNQCLSA-N 2 0 281.444 1.755 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC[C@@H](C)F)C1 ZINC001480173331 971612342 /nfs/dbraw/zinc/61/23/42/971612342.db2.gz FWQUPSIRIDRJJO-TUVASFSCSA-N 2 0 299.434 1.846 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+]Cc1cncs1 ZINC001480564867 971786056 /nfs/dbraw/zinc/78/60/56/971786056.db2.gz DQCWOYKIAXXUBK-NSHDSACASA-N 2 0 284.429 1.079 10 0 CDAERP Cc1ncsc1C[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001480597361 971799601 /nfs/dbraw/zinc/79/96/01/971799601.db2.gz PROOWEXKQXIHFO-NSHDSACASA-N 2 0 298.456 1.386 10 0 CDAERP CCCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001325598403 953979125 /nfs/dbraw/zinc/97/91/25/953979125.db2.gz KMPOJCFTJNPNSR-LSDHHAIUSA-N 2 0 283.460 1.811 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001493254947 971999427 /nfs/dbraw/zinc/99/94/27/971999427.db2.gz LQAGPJZYSDTFCN-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CC2CC2)C1 ZINC001326225439 954275046 /nfs/dbraw/zinc/27/50/46/954275046.db2.gz TYBIIKOGUGXHIT-GJZGRUSLSA-N 2 0 279.428 1.319 10 0 CDAERP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(=O)[nH]n1 ZINC001326795484 954555065 /nfs/dbraw/zinc/55/50/65/954555065.db2.gz FRHZIRXCPYKCEW-GARJFASQSA-N 2 0 250.346 1.173 10 0 CDAERP C[NH+](C)C1(C(=O)N2CC[NH2+][C@@H](Cc3ccccc3)C2)CC1 ZINC001364417015 954589607 /nfs/dbraw/zinc/58/96/07/954589607.db2.gz NMNXPZHBZCWLRP-HNNXBMFYSA-N 2 0 287.407 1.124 10 0 CDAERP CN(CC[NH2+]CCC1CC1)C(=O)C[N@H+](C)C1CCC1 ZINC001493581745 972084522 /nfs/dbraw/zinc/08/45/22/972084522.db2.gz ZDNHDKIAGHRMEN-UHFFFAOYSA-N 2 0 267.417 1.319 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@H](C[NH2+]CCCC2CCC2)C1 ZINC001491831011 955457384 /nfs/dbraw/zinc/45/73/84/955457384.db2.gz DQIWIBMLXXHPMA-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP CCC(CC)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001491855779 955469978 /nfs/dbraw/zinc/46/99/78/955469978.db2.gz HBWYTQVVUDSFAV-HOTGVXAUSA-N 2 0 295.471 1.812 10 0 CDAERP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(C)ncn2)CC1 ZINC001365311337 955878844 /nfs/dbraw/zinc/87/88/44/955878844.db2.gz PPIHXIPIHJSLCT-UHFFFAOYSA-N 2 0 291.443 1.291 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@@H]([NH+](C)CC)C1 ZINC001365384567 955984264 /nfs/dbraw/zinc/98/42/64/955984264.db2.gz JMLXOGVVNVXMQO-LSDHHAIUSA-N 2 0 296.459 1.596 10 0 CDAERP Cc1cc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C[NH+]2CCCC2)on1 ZINC001422421494 955991475 /nfs/dbraw/zinc/99/14/75/955991475.db2.gz FGXMOHWDFMSCBU-CHWSQXEVSA-N 2 0 294.399 1.062 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)CC1CC(C)(C)C1 ZINC001422477846 956059008 /nfs/dbraw/zinc/05/90/08/956059008.db2.gz GKGWGJWAMVFSNX-ZFWWWQNUSA-N 2 0 295.471 1.953 10 0 CDAERP CCCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001493976775 972150026 /nfs/dbraw/zinc/15/00/26/972150026.db2.gz HISPEQGGBWQVGG-HUUCEWRRSA-N 2 0 281.444 1.659 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001422508191 956105383 /nfs/dbraw/zinc/10/53/83/956105383.db2.gz SESFOWVWUHWYLJ-ZIAGYGMSSA-N 2 0 299.434 1.705 10 0 CDAERP CCCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001494021084 972163827 /nfs/dbraw/zinc/16/38/27/972163827.db2.gz OIXWRXNYCMSUQA-BZUAXINKSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)CCC(=O)NCCC[N@H+](C)CC1=CCCCC1 ZINC001316845843 956261701 /nfs/dbraw/zinc/26/17/01/956261701.db2.gz RFJORVRREDGJIB-UHFFFAOYSA-N 2 0 281.444 1.877 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC[C@@H]1CC[NH+](CC2CCC2)C1 ZINC001494083312 972173172 /nfs/dbraw/zinc/17/31/72/972173172.db2.gz OOGIYNDSGBCQSC-MRXNPFEDSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001422907992 956444665 /nfs/dbraw/zinc/44/46/65/956444665.db2.gz ZAVYEGJFZYIKNS-UXXRCYHCSA-N 2 0 299.434 1.559 10 0 CDAERP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CCC(C)(C)C)C1)[NH+](C)C ZINC001365986842 956494040 /nfs/dbraw/zinc/49/40/40/956494040.db2.gz FAOFSQIRWNRJGP-KGLIPLIRSA-N 2 0 283.460 1.953 10 0 CDAERP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@@H](C[NH2+]CC1CC1)C1CC1 ZINC001422994183 956497980 /nfs/dbraw/zinc/49/79/80/956497980.db2.gz MVJIWCCTSULYJO-HOCLYGCPSA-N 2 0 293.455 1.565 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001366004156 956505644 /nfs/dbraw/zinc/50/56/44/956505644.db2.gz ORCUSJBLPIMLDC-LSDHHAIUSA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)[NH2+][C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001366035083 956527182 /nfs/dbraw/zinc/52/71/82/956527182.db2.gz RRFCQTJPCCKFNH-HUUCEWRRSA-N 2 0 279.428 1.221 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCF)C2)C1 ZINC001330643311 956537691 /nfs/dbraw/zinc/53/76/91/956537691.db2.gz GCFCDVXXXFSCOZ-RBSFLKMASA-N 2 0 299.434 1.562 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCF)C2)C1 ZINC001330685731 956563187 /nfs/dbraw/zinc/56/31/87/956563187.db2.gz BJOPLWWLBZAYPS-KBUPBQIOSA-N 2 0 299.434 1.561 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]C/C=C/Cl)C2)CC[N@@H+]1C ZINC001366118608 956577986 /nfs/dbraw/zinc/57/79/86/956577986.db2.gz DGBOVKBTMDLUSN-BHUCWIFESA-N 2 0 299.846 1.706 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001366122107 956580931 /nfs/dbraw/zinc/58/09/31/956580931.db2.gz DOZIQNJREWHCGX-KBUPBQIOSA-N 2 0 283.460 1.856 10 0 CDAERP Cc1ccccc1C[NH2+][C@@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001423101798 956587390 /nfs/dbraw/zinc/58/73/90/956587390.db2.gz GHPXCPJHGSFRLE-HNNXBMFYSA-N 2 0 291.439 1.883 10 0 CDAERP CC[C@@H](C)C[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001423233763 956680244 /nfs/dbraw/zinc/68/02/44/956680244.db2.gz AYPJNQKXUFKOOK-CQSZACIVSA-N 2 0 293.455 1.899 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC[C@@H](C)F)CC1 ZINC001423307208 956715714 /nfs/dbraw/zinc/71/57/14/956715714.db2.gz KLSCHBBTZVUOSX-KGLIPLIRSA-N 2 0 299.434 1.847 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]C/C=C/Cl ZINC001366313191 956731331 /nfs/dbraw/zinc/73/13/31/956731331.db2.gz BFKIIEJIKKVPJC-YILIYONBSA-N 2 0 273.808 1.318 10 0 CDAERP CCCC[N@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001366437740 956827973 /nfs/dbraw/zinc/82/79/73/956827973.db2.gz WXCGVPCMAHNXHH-HNNXBMFYSA-N 2 0 281.444 1.805 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1CCCC1 ZINC001423535386 956835771 /nfs/dbraw/zinc/83/57/71/956835771.db2.gz XSFUCPSSMOMRHX-DZGCQCFKSA-N 2 0 281.444 1.613 10 0 CDAERP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+](CC[C@H]2CCCO2)C1 ZINC001423585623 956880766 /nfs/dbraw/zinc/88/07/66/956880766.db2.gz MNESOCYKEKRGPN-GDBMZVCRSA-N 2 0 297.443 1.088 10 0 CDAERP C[NH+](C)C1(C(=O)NCC[N@@H+](C)CC2CCCC2)CCC1 ZINC001366535388 956935047 /nfs/dbraw/zinc/93/50/47/956935047.db2.gz GUZKINLVGUBGSI-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@@H](C)C[NH2+]C1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001423695216 956945410 /nfs/dbraw/zinc/94/54/10/956945410.db2.gz OPWKBIZGDRBPQX-IUDNXUCKSA-N 2 0 295.471 1.953 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C[NH2+]CCF)C1CC1 ZINC001331358279 956990875 /nfs/dbraw/zinc/99/08/75/956990875.db2.gz BIEMEILDBVOGQK-HUUCEWRRSA-N 2 0 299.434 1.657 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CCC(C)C ZINC001366612301 957037426 /nfs/dbraw/zinc/03/74/26/957037426.db2.gz AWUZCTYUARHXBK-MRXNPFEDSA-N 2 0 295.471 1.812 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[NH+](CC1CC1)C2 ZINC001423925152 957041507 /nfs/dbraw/zinc/04/15/07/957041507.db2.gz GYCGHIKEGVAWCS-XHSDSOJGSA-N 2 0 293.455 1.707 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](CC[C@@H]2CCCO2)C1 ZINC001366893043 957250342 /nfs/dbraw/zinc/25/03/42/957250342.db2.gz KBSTURZNCPMUJT-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@@H](C)C[NH2+][C@@H]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001317090826 957262960 /nfs/dbraw/zinc/26/29/60/957262960.db2.gz GPOBJFYUJLKOCO-SYQHCUMBSA-N 2 0 269.433 1.610 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CCC[C@@H](C[NH2+]CCCF)C1 ZINC001317163920 957313511 /nfs/dbraw/zinc/31/35/11/957313511.db2.gz OPCYDNUZDKHAHT-AWEZNQCLSA-N 2 0 285.407 1.270 10 0 CDAERP CC(C)CCC[NH2+][C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001317280908 957400819 /nfs/dbraw/zinc/40/08/19/957400819.db2.gz ALQFCIVVELAQDX-HUUCEWRRSA-N 2 0 283.460 1.859 10 0 CDAERP CC[C@H](C(=O)N1CC[C@H](C[NH2+]CCOC(C)C)C1)[NH+](C)C ZINC001317345049 957432140 /nfs/dbraw/zinc/43/21/40/957432140.db2.gz VXBXUENGUHJQBM-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP Cc1cccc(C)c1C[NH2+]CCN(C)C(=O)CC[NH+](C)C ZINC001317622774 957605106 /nfs/dbraw/zinc/60/51/06/957605106.db2.gz CDFSADQZTNJVNX-UHFFFAOYSA-N 2 0 291.439 1.803 10 0 CDAERP Cc1cc(C[NH2+]CCN(C)C(=O)CC[NH+](C)C)cs1 ZINC001317622771 957605132 /nfs/dbraw/zinc/60/51/32/957605132.db2.gz CALODKGBACTMMK-UHFFFAOYSA-N 2 0 283.441 1.556 10 0 CDAERP CN(CC[NH2+]CCCF)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001317656152 957624955 /nfs/dbraw/zinc/62/49/55/957624955.db2.gz VHUXQWVKBAXHBY-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP CC[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001425902987 957639452 /nfs/dbraw/zinc/63/94/52/957639452.db2.gz JWOGXRVFOCTIPQ-GDBMZVCRSA-N 2 0 279.428 1.604 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCC[NH+](CCCCCF)C2)C1 ZINC001317991516 957844328 /nfs/dbraw/zinc/84/43/28/957844328.db2.gz HDBZMTUNHOJFGJ-GJZGRUSLSA-N 2 0 299.434 1.659 10 0 CDAERP C[C@H](C[N@H+](C)CCC(F)(F)F)NC(=O)CC[NH+](C)C ZINC001367828866 958409787 /nfs/dbraw/zinc/40/97/87/958409787.db2.gz COXPDCTUDFHVCJ-SNVBAGLBSA-N 2 0 283.338 1.327 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)C[NH2+]C(C)C)CC[N@@H+]1C ZINC001319189725 958423161 /nfs/dbraw/zinc/42/31/61/958423161.db2.gz PMNTUGRLMPNMDD-HZSPNIEDSA-N 2 0 269.433 1.467 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)C(C)C ZINC001367861616 958440052 /nfs/dbraw/zinc/44/00/52/958440052.db2.gz FTQYNWXHABXNMR-GJZGRUSLSA-N 2 0 283.460 2.000 10 0 CDAERP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]CC1=CCCCC1 ZINC001319282130 958475258 /nfs/dbraw/zinc/47/52/58/958475258.db2.gz OHYLLHYHXVDFQP-HNNXBMFYSA-N 2 0 293.455 1.925 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[NH+](CCF)C1 ZINC001368216324 958708512 /nfs/dbraw/zinc/70/85/12/958708512.db2.gz CQHSDYAABDPBIW-ZFWWWQNUSA-N 2 0 285.407 1.268 10 0 CDAERP CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1(C[NH+](C)C)CC1 ZINC001368393103 958805610 /nfs/dbraw/zinc/80/56/10/958805610.db2.gz HMDRKZJZDZCOQU-HUUCEWRRSA-N 2 0 293.455 1.804 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC(C)([NH2+]CCF)CC1 ZINC001368667737 959027121 /nfs/dbraw/zinc/02/71/21/959027121.db2.gz CHPWEJAMIDITLS-OKILXGFUSA-N 2 0 299.434 1.799 10 0 CDAERP C[C@@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]C/C=C\Cl ZINC001368743598 959099238 /nfs/dbraw/zinc/09/92/38/959099238.db2.gz NLWBICLXOXXMSI-DWMUBGRBSA-N 2 0 285.819 1.319 10 0 CDAERP C[C@@H](Cc1c[nH]cn1)C(=O)N[C@H]1CC[N@H+](CC2CC2)[C@@H]1C ZINC001368786014 959125899 /nfs/dbraw/zinc/12/58/99/959125899.db2.gz SJMBUEAJIFFWJW-ZOWXZIJZSA-N 2 0 290.411 1.577 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccccn1 ZINC001368901318 959235217 /nfs/dbraw/zinc/23/52/17/959235217.db2.gz UIWCQBRDDNSTAZ-KGLIPLIRSA-N 2 0 292.427 1.406 10 0 CDAERP C[NH+]1CCC(CC(=O)N[C@@H](C[NH2+]CCCF)C2CC2)CC1 ZINC001569321286 1169764757 /nfs/dbraw/zinc/76/47/57/1169764757.db2.gz LKEOQPULUKVIFP-HNNXBMFYSA-N 2 0 299.434 1.562 10 0 CDAERP CCN(CC[NH2+]CC1CCCC1)C(=O)C[NH+]1CCCC1 ZINC001320921032 959459630 /nfs/dbraw/zinc/45/96/30/959459630.db2.gz KHSVHYXKIGDIKS-UHFFFAOYSA-N 2 0 281.444 1.711 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)C1C[NH+](CC[C@@H](C)F)C1 ZINC001369165328 959496659 /nfs/dbraw/zinc/49/66/59/959496659.db2.gz QFTWXUGONLEFEY-CHWSQXEVSA-N 2 0 287.423 1.513 10 0 CDAERP CC1CC(C[NH2+]C/C=C/CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001320997933 959521041 /nfs/dbraw/zinc/52/10/41/959521041.db2.gz LVZHXLDATJVVSP-BJUWTEMJSA-N 2 0 279.428 1.389 10 0 CDAERP CC(C)[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001369215443 959533764 /nfs/dbraw/zinc/53/37/64/959533764.db2.gz UXQJSRCDWOMGBC-CWRNSKLLSA-N 2 0 295.471 1.952 10 0 CDAERP CC[C@H](F)C[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001321064969 959567582 /nfs/dbraw/zinc/56/75/82/959567582.db2.gz PUMCSYNILWHQCK-ZKZVFAFKSA-N 2 0 285.407 1.337 10 0 CDAERP Cc1cc(C[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C)on1 ZINC001369388485 959660363 /nfs/dbraw/zinc/66/03/63/959660363.db2.gz HVCKOLJHCBEMBP-TZMCWYRMSA-N 2 0 294.399 1.014 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC/C=C\C[NH2+]C/C=C\Cl ZINC001321420087 959778905 /nfs/dbraw/zinc/77/89/05/959778905.db2.gz RLVSYKOSVWGKBU-RZSVFLSASA-N 2 0 273.808 1.341 10 0 CDAERP CC(C)[NH2+]C[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001321663135 959897814 /nfs/dbraw/zinc/89/78/14/959897814.db2.gz MGJOPDJBCDBKKM-ZIAGYGMSSA-N 2 0 269.433 1.754 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](C[C@@H]2CCCCO2)C1 ZINC001370067957 959978165 /nfs/dbraw/zinc/97/81/65/959978165.db2.gz VSLNZIPAVJJUJJ-CABCVRRESA-N 2 0 297.443 1.086 10 0 CDAERP C[C@@H](C[NH2+]CC1CC1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001321946762 960025094 /nfs/dbraw/zinc/02/50/94/960025094.db2.gz LWLCKTLNAFKCDT-LBPRGKRZSA-N 2 0 267.417 1.365 10 0 CDAERP Cc1oncc1C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001370423819 960094094 /nfs/dbraw/zinc/09/40/94/960094094.db2.gz BHURHNBYWUAKRU-AWEZNQCLSA-N 2 0 294.399 1.014 10 0 CDAERP O=C(N1CCC[C@@H](CC[NH2+]CCF)C1)C12CC[NH+](CC1)C2 ZINC001495380912 972485545 /nfs/dbraw/zinc/48/55/45/972485545.db2.gz UDYSSOSRPVMDRE-AWEZNQCLSA-N 2 0 297.418 1.270 10 0 CDAERP O=C(N1CCC[C@H](CC[NH2+]CCF)C1)C12CC[NH+](CC1)C2 ZINC001495380914 972485610 /nfs/dbraw/zinc/48/56/10/972485610.db2.gz UDYSSOSRPVMDRE-CQSZACIVSA-N 2 0 297.418 1.270 10 0 CDAERP CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001495395813 972486987 /nfs/dbraw/zinc/48/69/87/972486987.db2.gz IICDJDSKZZXUSZ-ZIAGYGMSSA-N 2 0 267.417 1.176 10 0 CDAERP CC(C)CCC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001322443259 960223515 /nfs/dbraw/zinc/22/35/15/960223515.db2.gz VLMNTYPQFOZNBG-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CCF)CC1 ZINC001495403500 972490145 /nfs/dbraw/zinc/49/01/45/972490145.db2.gz MYFNFJDVUUSVPB-AWEZNQCLSA-N 2 0 285.407 1.268 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CCF)C1CC1 ZINC001323114763 960464933 /nfs/dbraw/zinc/46/49/33/960464933.db2.gz UTNYFHKWVYDWPA-KBPBESRZSA-N 2 0 285.407 1.315 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+]2CC[C@H](F)C2)[C@@H](C)C1 ZINC001433724393 960555479 /nfs/dbraw/zinc/55/54/79/960555479.db2.gz IBWPPXVAGYSNMY-KKUMJFAQSA-N 2 0 299.434 1.609 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]CCCOC)CC1)[NH+](C)C ZINC001495474383 972513907 /nfs/dbraw/zinc/51/39/07/972513907.db2.gz IWKYHBMKOOQKBJ-RBSFLKMASA-N 2 0 299.459 1.380 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001323300965 960628979 /nfs/dbraw/zinc/62/89/79/960628979.db2.gz DKKVFRCKBDMCAV-UONOGXRCSA-N 2 0 267.417 1.175 10 0 CDAERP CN(C(=O)CC[NH+]1CC[C@H](F)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001433979175 960839196 /nfs/dbraw/zinc/83/91/96/960839196.db2.gz JSWLJBVQPYWUHX-RDGKXADDSA-N 2 0 297.418 1.504 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H]1C[NH2+]CCF ZINC001324175133 961214875 /nfs/dbraw/zinc/21/48/75/961214875.db2.gz KNHBYASJPSAIHS-KGLIPLIRSA-N 2 0 285.407 1.411 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CCCC(C)(C)C)C2)C1 ZINC001419067237 961326749 /nfs/dbraw/zinc/32/67/49/961326749.db2.gz NEZUFAZXXWONPA-CABCVRRESA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[C@@H]3C[NH+](C)C[C@H]23)CC[N@@H+]1C ZINC001434419885 961343655 /nfs/dbraw/zinc/34/36/55/961343655.db2.gz WWIOZVQFQCBZHR-GZBLMMOJSA-N 2 0 279.428 1.173 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001419172895 961464386 /nfs/dbraw/zinc/46/43/86/961464386.db2.gz JTDGTPRBAVIPAX-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cncs1)[NH+](C)C ZINC001419530990 961793426 /nfs/dbraw/zinc/79/34/26/961793426.db2.gz UACDHURSNHMHLC-AAEUAGOBSA-N 2 0 298.456 1.325 10 0 CDAERP CCC[NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001436359946 962209436 /nfs/dbraw/zinc/20/94/36/962209436.db2.gz WGNFQCIGRBSTOQ-OKILXGFUSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccns1 ZINC001419907310 962223548 /nfs/dbraw/zinc/22/35/48/962223548.db2.gz STQSCZZWFNJJMU-NEPJUHHUSA-N 2 0 296.440 1.079 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1cncc(F)c1 ZINC001419915526 962232732 /nfs/dbraw/zinc/23/27/32/962232732.db2.gz VKOJNQTVROMANY-GFCCVEGCSA-N 2 0 296.390 1.157 10 0 CDAERP CC[C@H](F)C[N@H+](CC)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001420422494 962891152 /nfs/dbraw/zinc/89/11/52/962891152.db2.gz LWULENAVUPFBQR-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@H](C[N@@H+](C)CC[C@H](C)F)NC(=O)C12CCC[NH+]1CCC2 ZINC001420594834 963106654 /nfs/dbraw/zinc/10/66/54/963106654.db2.gz LNBJCBIZDBBYOA-UONOGXRCSA-N 2 0 299.434 1.799 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+]2CCC2CC2)C1 ZINC001420858704 963306843 /nfs/dbraw/zinc/30/68/43/963306843.db2.gz PVQOZEVXMRHSBG-ZFWWWQNUSA-N 2 0 279.428 1.319 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2C(C)C ZINC001421029379 963421681 /nfs/dbraw/zinc/42/16/81/963421681.db2.gz LHCRCFWGPZDASF-GASCZTMLSA-N 2 0 281.444 1.802 10 0 CDAERP CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001421238956 963515936 /nfs/dbraw/zinc/51/59/36/963515936.db2.gz PUBREHMXEDHGCM-GOEBONIOSA-N 2 0 281.444 1.707 10 0 CDAERP COC[C@@H](C)[N@@H+]1CCC[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001421280647 963530757 /nfs/dbraw/zinc/53/07/57/963530757.db2.gz AQRCLSSIIJLLBY-GDBMZVCRSA-N 2 0 299.459 1.191 10 0 CDAERP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](CC[C@@H]2CCCO2)C1 ZINC001421310846 963546223 /nfs/dbraw/zinc/54/62/23/963546223.db2.gz KSFAFSJOXOANQJ-GJZGRUSLSA-N 2 0 297.443 1.040 10 0 CDAERP CC(C)[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]C[C@@H]1CCOC1 ZINC001438848613 963574296 /nfs/dbraw/zinc/57/42/96/963574296.db2.gz KIWQRNRYXKHTIZ-GJZGRUSLSA-N 2 0 299.459 1.094 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cnc(C)o1 ZINC001421387740 963584658 /nfs/dbraw/zinc/58/46/58/963584658.db2.gz YAPQLTUDUGBITI-OCCSQVGLSA-N 2 0 294.399 1.062 10 0 CDAERP C[C@H](C[NH2+]Cc1ccccc1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001439150932 963656692 /nfs/dbraw/zinc/65/66/92/963656692.db2.gz BACPJTCRMWJYCF-HUUCEWRRSA-N 2 0 289.423 1.623 10 0 CDAERP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CCCF ZINC001439321128 963721632 /nfs/dbraw/zinc/72/16/32/963721632.db2.gz BVXKQGVVWKXYJR-KGLIPLIRSA-N 2 0 287.423 1.655 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CC[NH+]2CC2CCC2)C1 ZINC001439568644 963802351 /nfs/dbraw/zinc/80/23/51/963802351.db2.gz FHZLKASJLDNBBW-GJZGRUSLSA-N 2 0 279.428 1.319 10 0 CDAERP O=C(NCC1([NH2+]CCC2CC2)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001439602578 963818605 /nfs/dbraw/zinc/81/86/05/963818605.db2.gz BUMBPZWUTKWSPS-OAHLLOKOSA-N 2 0 291.439 1.367 10 0 CDAERP O=C(CC[N@H+]1CC[C@H](F)C1)NCCC[NH+]1CCCCC1 ZINC001440646167 964125624 /nfs/dbraw/zinc/12/56/24/964125624.db2.gz VVZQHXBIIBVHTL-AWEZNQCLSA-N 2 0 285.407 1.413 10 0 CDAERP C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)[NH2+]CCF ZINC001440798355 964186815 /nfs/dbraw/zinc/18/68/15/964186815.db2.gz JSKVFKIFYKEVBI-STQMWFEESA-N 2 0 285.407 1.315 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cccnc1 ZINC001440826089 964200987 /nfs/dbraw/zinc/20/09/87/964200987.db2.gz BOSONOFSYVILPN-ZIAGYGMSSA-N 2 0 292.427 1.406 10 0 CDAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+](C)CC1CCC1 ZINC001440970275 964300330 /nfs/dbraw/zinc/30/03/30/964300330.db2.gz MYMKMDWVEZVEQG-KGLIPLIRSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH+](C)CC1CCC1 ZINC001441005702 964324674 /nfs/dbraw/zinc/32/46/74/964324674.db2.gz REIIMHBPDANPGF-ZFWWWQNUSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)CCC1CCCC1 ZINC001441006309 964324816 /nfs/dbraw/zinc/32/48/16/964324816.db2.gz BLWMDOWWTJFRDC-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]([NH2+]Cc1cccnc1)C1CC1 ZINC001441223265 964425063 /nfs/dbraw/zinc/42/50/63/964425063.db2.gz DXAWDQUINMQVCA-OAHLLOKOSA-N 2 0 290.411 1.018 10 0 CDAERP CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)C3CCC3)C[C@H]2C1 ZINC001441342762 964467758 /nfs/dbraw/zinc/46/77/58/964467758.db2.gz SXILDKNVGTYWHW-KKUMJFAQSA-N 2 0 293.455 1.707 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001441634273 964628555 /nfs/dbraw/zinc/62/85/55/964628555.db2.gz VXTGINUWZHOOLQ-HUUCEWRRSA-N 2 0 281.444 1.851 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N(C)C1CC([NH2+]CC2CC2)C1 ZINC001442233580 964948961 /nfs/dbraw/zinc/94/89/61/964948961.db2.gz VOEHYWRNPQZSIH-NRXISQOPSA-N 2 0 299.434 1.655 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001442803302 965223247 /nfs/dbraw/zinc/22/32/47/965223247.db2.gz UNEZCQNFYINNCD-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP CCC[N@H+](CCF)CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001442951853 965291160 /nfs/dbraw/zinc/29/11/60/965291160.db2.gz GKODXALBYAWJFK-HUUCEWRRSA-N 2 0 299.434 1.801 10 0 CDAERP CCC[NH+](CCC)CCNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001442968606 965300479 /nfs/dbraw/zinc/30/04/79/965300479.db2.gz MVXMVLTZYWIHGP-INIZCTEOSA-N 2 0 281.444 1.711 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCC[NH+]2C)CC[N@@H+]1C ZINC001347503426 965562256 /nfs/dbraw/zinc/56/22/56/965562256.db2.gz OGATYEFWKQXQHD-HZSPNIEDSA-N 2 0 267.417 1.317 10 0 CDAERP CC(C)[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001444166990 965749739 /nfs/dbraw/zinc/74/97/39/965749739.db2.gz YXPGJAZZQVIBCY-CABCVRRESA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001444628106 965906409 /nfs/dbraw/zinc/90/64/09/965906409.db2.gz KFPXVAJMDMFXBQ-ZIAGYGMSSA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001445558681 966240954 /nfs/dbraw/zinc/24/09/54/966240954.db2.gz YABUMVFDNBACFL-RYUDHWBXSA-N 2 0 273.396 1.313 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1CC[C@@H]1CCCO1 ZINC001446120364 966455378 /nfs/dbraw/zinc/45/53/78/966455378.db2.gz FAFKMANSSZIAQF-CABCVRRESA-N 2 0 297.443 1.086 10 0 CDAERP CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001446535487 966573814 /nfs/dbraw/zinc/57/38/14/966573814.db2.gz JUBVJDZJKZDYAD-DZGCQCFKSA-N 2 0 287.423 1.657 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H](CO)CC(F)(F)F)C1 ZINC001350955150 966810126 /nfs/dbraw/zinc/81/01/26/966810126.db2.gz GSFBWJWSSPCFNN-BBBLOLIVSA-N 2 0 268.323 1.795 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)C[C@H]1CC(C)(C)CO1 ZINC001448082971 966989215 /nfs/dbraw/zinc/98/92/15/966989215.db2.gz INBBBBHDSRLRES-ZIAGYGMSSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001448381738 967088238 /nfs/dbraw/zinc/08/82/38/967088238.db2.gz CTEDIFWUWQTJIG-CQSZACIVSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[NH+](C)C2)CC[N@@H+]1C ZINC001543265178 967287156 /nfs/dbraw/zinc/28/71/56/967287156.db2.gz KZMORQYJRFIZKD-IHRRRGAJSA-N 2 0 267.417 1.175 10 0 CDAERP CC[N@@H+]1CCCN(C(=O)CC[NH+]2CC[C@H](F)C2)[C@@H](C)C1 ZINC001450979327 967863809 /nfs/dbraw/zinc/86/38/09/967863809.db2.gz QMMWIWTWIIXANV-KBPBESRZSA-N 2 0 285.407 1.363 10 0 CDAERP c1nscc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC001461050812 969595264 /nfs/dbraw/zinc/59/52/64/969595264.db2.gz NDUZAJLYBKNVJO-UHFFFAOYSA-N 2 0 255.387 1.345 10 0 CDAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)CC[NH+](C)C)C1 ZINC001465559619 969883726 /nfs/dbraw/zinc/88/37/26/969883726.db2.gz IATUFIXAWPNMJH-KBPBESRZSA-N 2 0 269.433 1.374 10 0 CDAERP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCOCC12CCCC2 ZINC001414055905 969897250 /nfs/dbraw/zinc/89/72/50/969897250.db2.gz QAHTUJFDMKSESW-KGLIPLIRSA-N 2 0 270.417 1.238 10 0 CDAERP C[N@H+](CCNC(=O)CC[NH+]1CC[C@@H](F)C1)C1CCCCC1 ZINC001361988245 970744437 /nfs/dbraw/zinc/74/44/37/970744437.db2.gz WHRDLYZIEBVRKU-CQSZACIVSA-N 2 0 299.434 1.801 10 0 CDAERP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C[NH2+]CC1CCCC1 ZINC001495782845 972628949 /nfs/dbraw/zinc/62/89/49/972628949.db2.gz BJTBHBCVBSALGO-GOEBONIOSA-N 2 0 295.471 1.860 10 0 CDAERP CCCCC[NH2+]C[C@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001496150828 972819950 /nfs/dbraw/zinc/81/99/50/972819950.db2.gz SLSGVHBEIPZIKL-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP C[N@H+](CCNC(=O)C1CC[NH+](C)CC1)CC1CC(C)(C)C1 ZINC001372160821 972823418 /nfs/dbraw/zinc/82/34/18/972823418.db2.gz PSOFUFVGQQLSLY-UHFFFAOYSA-N 2 0 295.471 1.812 10 0 CDAERP CC(C)C[NH2+][C@@H](C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001373026027 973229161 /nfs/dbraw/zinc/22/91/61/973229161.db2.gz DJOSJXXOBRTXLW-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](CC[NH2+]C/C=C\Cl)NC(=O)C1([NH+](C)C)CCC1 ZINC001497206014 973244705 /nfs/dbraw/zinc/24/47/05/973244705.db2.gz PTYXJMHNYFGGQF-LRAPTIAOSA-N 2 0 287.835 1.708 10 0 CDAERP C[C@H](CC[NH2+]CCCF)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001497252014 973263469 /nfs/dbraw/zinc/26/34/69/973263469.db2.gz IZWOVMOWPYPURG-OLZOCXBDSA-N 2 0 273.396 1.315 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CC[NH2+]Cc1cscn1 ZINC001497331245 973290406 /nfs/dbraw/zinc/29/04/06/973290406.db2.gz KQRBMWBMARSZRX-LBPRGKRZSA-N 2 0 298.456 1.468 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1CCC(C)C ZINC001417740979 973351341 /nfs/dbraw/zinc/35/13/41/973351341.db2.gz CHSFWOBRHNELSW-HNNXBMFYSA-N 2 0 283.460 1.907 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001373379953 973405580 /nfs/dbraw/zinc/40/55/80/973405580.db2.gz QLQCLUCJHKLQBW-CABCVRRESA-N 2 0 281.444 1.850 10 0 CDAERP CC1CC(C[NH2+]C/C=C\CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001497674224 973458738 /nfs/dbraw/zinc/45/87/38/973458738.db2.gz IYUPBRIOYJPLQF-ARJAWSKDSA-N 2 0 293.455 1.636 10 0 CDAERP CCCCC[NH2+]C/C=C\CNC(=O)C1CC[NH+](C)CC1 ZINC001497676009 973462703 /nfs/dbraw/zinc/46/27/03/973462703.db2.gz VOUUMVLUFTUSAI-SREVYHEPSA-N 2 0 281.444 1.780 10 0 CDAERP CCCC[NH2+]C/C=C/CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001497734127 973482735 /nfs/dbraw/zinc/48/27/35/973482735.db2.gz FHQUQJWRGOJVOA-APHBUQMISA-N 2 0 279.428 1.534 10 0 CDAERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H]1CCC[N@H+](CCF)C1 ZINC001418175990 973624125 /nfs/dbraw/zinc/62/41/25/973624125.db2.gz QHULOPVEWGGKGH-ZIAGYGMSSA-N 2 0 285.407 1.268 10 0 CDAERP CC[C@H](C(=O)N[C@@](C)(C[NH2+]CC1CC1)C1CC1)[NH+](C)C ZINC001373883290 973677919 /nfs/dbraw/zinc/67/79/19/973677919.db2.gz QEJAUKJDLIYASD-ZBFHGGJFSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC001418238018 973688052 /nfs/dbraw/zinc/68/80/52/973688052.db2.gz PDYMGUIPJIBMAG-FZNQNYSPSA-N 2 0 295.471 1.811 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001418303311 973739709 /nfs/dbraw/zinc/73/97/09/973739709.db2.gz NIEXLAKDBFLODL-ZDUSSCGKSA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)(C(=O)NCC1([NH2+]CCF)CCCC1)[NH+]1CCCC1 ZINC001374165953 973800926 /nfs/dbraw/zinc/80/09/26/973800926.db2.gz LXJTUCVIJCSPCD-UHFFFAOYSA-N 2 0 299.434 1.849 10 0 CDAERP C[C@@H](CCNC(=O)CC[NH+](C)C)[NH2+]Cc1ccccc1 ZINC001418421716 973814519 /nfs/dbraw/zinc/81/45/19/973814519.db2.gz MGYNCGGTFFZTDI-AWEZNQCLSA-N 2 0 277.412 1.623 10 0 CDAERP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1C[NH2+]CC1CC1 ZINC001374395110 973918583 /nfs/dbraw/zinc/91/85/83/973918583.db2.gz JFLALAMPAODNGZ-UKRRQHHQSA-N 2 0 281.444 1.565 10 0 CDAERP CCC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001374545643 974011028 /nfs/dbraw/zinc/01/10/28/974011028.db2.gz QBCFFFSRFWZMPX-CABCVRRESA-N 2 0 281.444 1.804 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]CCF ZINC001498657109 974012554 /nfs/dbraw/zinc/01/25/54/974012554.db2.gz FHDNICWULVYCNC-CYBMUJFWSA-N 2 0 273.396 1.268 10 0 CDAERP Cc1nc(C[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C)c(C)s1 ZINC001374812203 974134789 /nfs/dbraw/zinc/13/47/89/974134789.db2.gz VQZACEXBRKICHK-SNVBAGLBSA-N 2 0 298.456 1.306 10 0 CDAERP C[C@H](C[NH2+]Cc1cccc(F)c1)NC(=O)CC[NH+](C)C ZINC001374810698 974135012 /nfs/dbraw/zinc/13/50/12/974135012.db2.gz GRCYRHONCIGPHO-GFCCVEGCSA-N 2 0 281.375 1.372 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1ccccc1C)[NH+](C)C ZINC001374833062 974142173 /nfs/dbraw/zinc/14/21/73/974142173.db2.gz AVXIHBPTJIIERO-GDBMZVCRSA-N 2 0 291.439 1.930 10 0 CDAERP CC(C)[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001374894798 974170413 /nfs/dbraw/zinc/17/04/13/974170413.db2.gz OUGVMFVPGFQCKF-DZGCQCFKSA-N 2 0 281.444 1.896 10 0 CDAERP C[NH+](C)CCCC(=O)NC[C@@H]1CC[N@@H+]1CC1CCCC1 ZINC001499047098 974171755 /nfs/dbraw/zinc/17/17/55/974171755.db2.gz ABGRIYXHTJHHJS-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CCC(CC)C[NH+]1CC(N(C)C(=O)CCC[NH+](C)C)C1 ZINC001499739198 974295677 /nfs/dbraw/zinc/29/56/77/974295677.db2.gz WGMKTOHHWKRUBM-UHFFFAOYSA-N 2 0 283.460 1.907 10 0 CDAERP CC[C@@H](C[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCCC2)C1)OC ZINC001375856571 974498022 /nfs/dbraw/zinc/49/80/22/974498022.db2.gz URHSVGWPPRLNSO-GOEBONIOSA-N 2 0 297.443 1.088 10 0 CDAERP CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001501084410 974529388 /nfs/dbraw/zinc/52/93/88/974529388.db2.gz VANLEIJAKWEJDT-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]2C[NH+](CC)CC[C@@H]21 ZINC001376450239 974666265 /nfs/dbraw/zinc/66/62/65/974666265.db2.gz JRSDYQPFMJUALN-GJZGRUSLSA-N 2 0 281.444 1.661 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001376461198 974668586 /nfs/dbraw/zinc/66/85/86/974668586.db2.gz DNKQLNCJJDPLJV-SOUVJXGZSA-N 2 0 293.455 1.898 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]C/C=C\Cl)C1)[NH+](C)C ZINC001376493174 974675156 /nfs/dbraw/zinc/67/51/56/974675156.db2.gz WEOYEURUQBNRIO-HXLASYRJSA-N 2 0 287.835 1.562 10 0 CDAERP C[NH+](C)CCC(=O)NC1CCC([NH2+]Cc2ccon2)CC1 ZINC001376661987 974706464 /nfs/dbraw/zinc/70/64/64/974706464.db2.gz KZPSCDBNKYBKGR-UHFFFAOYSA-N 2 0 294.399 1.143 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001376822432 974784195 /nfs/dbraw/zinc/78/41/95/974784195.db2.gz JMDUSHPPNQQELU-GJZGRUSLSA-N 2 0 283.460 2.000 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CC[C@@H]1CCCCO1 ZINC001377135648 974898695 /nfs/dbraw/zinc/89/86/95/974898695.db2.gz YUZVNIBSJJPBQB-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]CCC1CCCC1 ZINC001377282040 974955743 /nfs/dbraw/zinc/95/57/43/974955743.db2.gz VEBCRDVMPMALMM-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]CCF)CC1 ZINC001505724545 974974053 /nfs/dbraw/zinc/97/40/53/974974053.db2.gz JOAPTSJNOGZAPW-QWHCGFSZSA-N 2 0 287.423 1.559 10 0 CDAERP C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH+](C)CCCF ZINC001505937547 975051016 /nfs/dbraw/zinc/05/10/16/975051016.db2.gz HIDCBQPFHIPXQK-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH+](C)CCOC)C1 ZINC001505986041 975072697 /nfs/dbraw/zinc/07/26/97/975072697.db2.gz ODYNSQJEOYSUBK-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP CCCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001377726999 975120487 /nfs/dbraw/zinc/12/04/87/975120487.db2.gz YMKPDADQXVXMSU-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1C[NH+](CCCF)C1 ZINC001378020175 975207239 /nfs/dbraw/zinc/20/72/39/975207239.db2.gz JMSPILFOUYVBRY-CHWSQXEVSA-N 2 0 285.407 1.267 10 0 CDAERP CC[C@@H](F)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001506827787 975228418 /nfs/dbraw/zinc/22/84/18/975228418.db2.gz CGSPVTRZRZQKRI-TUVASFSCSA-N 2 0 299.434 1.369 10 0 CDAERP C[NH+](C)CCC(=O)N1CC2(C1)CCC[N@H+](CCCF)C2 ZINC001506867685 975237188 /nfs/dbraw/zinc/23/71/88/975237188.db2.gz WLXDMRLMSCNUMK-UHFFFAOYSA-N 2 0 285.407 1.222 10 0 CDAERP CC(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)CC[NH+](C)C)C[C@@]2(C)C1 ZINC001506869248 975239682 /nfs/dbraw/zinc/23/96/82/975239682.db2.gz SDLLCCFAUJMKAC-CALCHBBNSA-N 2 0 295.471 1.765 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](CC[C@H](C)F)C1 ZINC001378193848 975278736 /nfs/dbraw/zinc/27/87/36/975278736.db2.gz VUFUHCNPXKGOSC-UONOGXRCSA-N 2 0 287.423 1.609 10 0 CDAERP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H](C[NH2+]CC1CCC1)C1CC1 ZINC001507003784 975291838 /nfs/dbraw/zinc/29/18/38/975291838.db2.gz YJYUXLHXQOFQPW-HOTGVXAUSA-N 2 0 293.455 1.707 10 0 CDAERP CC(C)C[NH2+]C[C@](C)(NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001378408297 975346677 /nfs/dbraw/zinc/34/66/77/975346677.db2.gz CLUBFFPHBPEZEY-INIZCTEOSA-N 2 0 293.455 1.613 10 0 CDAERP CC[NH2+]CC1(NC(=O)[C@@]23CC[N@H+](C2)CCC3)CCCCC1 ZINC001378416060 975347275 /nfs/dbraw/zinc/34/72/75/975347275.db2.gz KHQCHUBTYVSFBK-INIZCTEOSA-N 2 0 293.455 1.901 10 0 CDAERP C[C@@H]1[C@H]([NH2+]CCCF)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001507288639 975400696 /nfs/dbraw/zinc/40/06/96/975400696.db2.gz MTKRKGOIVBTVPG-UKRRQHHQSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)CC[N@@H+]1CCO[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001378670111 975435067 /nfs/dbraw/zinc/43/50/67/975435067.db2.gz WKNHUZSHZOHZKK-OAHLLOKOSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]CC1CC(C)(C)C1 ZINC001401108855 975468580 /nfs/dbraw/zinc/46/85/80/975468580.db2.gz XSXPCHIPHDMVSE-DZGCQCFKSA-N 2 0 295.471 1.859 10 0 CDAERP CC[C@H](C(=O)NC1C[NH+](CC2CCC(C)CC2)C1)[NH+](C)C ZINC001404789344 975485564 /nfs/dbraw/zinc/48/55/64/975485564.db2.gz ZNLMRXQPVSSCFB-ZBCRRDGASA-N 2 0 295.471 1.953 10 0 CDAERP CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001378792013 975492058 /nfs/dbraw/zinc/49/20/58/975492058.db2.gz YGIJNZGLWWZSSO-RRFJBIMHSA-N 2 0 293.455 1.565 10 0 CDAERP CC(C)[NH+](C)CC(=O)N(C)C[C@H]1CC[N@H+]1CCC[C@@H](C)O ZINC001388665347 975543609 /nfs/dbraw/zinc/54/36/09/975543609.db2.gz LANNUCUPRSAXJU-HUUCEWRRSA-N 2 0 299.459 1.020 10 0 CDAERP CCO[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CC(C)C ZINC001388759624 975579239 /nfs/dbraw/zinc/57/92/39/975579239.db2.gz DGSBIEQPGRTDBK-HUUCEWRRSA-N 2 0 299.459 1.047 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001401383086 975632943 /nfs/dbraw/zinc/63/29/43/975632943.db2.gz KOWWYFAQAZSZHZ-KGLIPLIRSA-N 2 0 287.423 1.467 10 0 CDAERP CC(C)[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC1CC1 ZINC001401390658 975641411 /nfs/dbraw/zinc/64/14/11/975641411.db2.gz WLTYWFJNKPTQNY-CABCVRRESA-N 2 0 281.444 1.469 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](CCCF)C1 ZINC001405143569 975645976 /nfs/dbraw/zinc/64/59/76/975645976.db2.gz WUPHMPMEFDQWIO-CYBMUJFWSA-N 2 0 273.396 1.219 10 0 CDAERP CC1CC(C[NH2+][C@H]2C[C@@H](CNC(=O)CC[NH+](C)C)C2)C1 ZINC001397622767 975659150 /nfs/dbraw/zinc/65/91/50/975659150.db2.gz HETIFWNYVDZTQV-ZMYVRHLSSA-N 2 0 281.444 1.469 10 0 CDAERP CCc1ccccc1C[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001401636475 975752218 /nfs/dbraw/zinc/75/22/18/975752218.db2.gz COXZYILFHASAOE-CQSZACIVSA-N 2 0 291.439 1.795 10 0 CDAERP CO[C@@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001405522917 975764065 /nfs/dbraw/zinc/76/40/65/975764065.db2.gz IEAOCFGSICUTHZ-KKUMJFAQSA-N 2 0 299.459 1.379 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CCC[C@@H](NC(=O)CCn2ccnc2)C1 ZINC001389383604 975797758 /nfs/dbraw/zinc/79/77/58/975797758.db2.gz ZMCVAIKPEAZQRH-ZIAGYGMSSA-N 2 0 296.390 1.602 10 0 CDAERP COC[C@H](C)[NH+]1CCC(N(C)C(=O)C[N@H+](C)C(C)C)CC1 ZINC001398241057 975906701 /nfs/dbraw/zinc/90/67/01/975906701.db2.gz ZPYJVZWMVLLHOE-AWEZNQCLSA-N 2 0 299.459 1.284 10 0 CDAERP CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1CC1CC1)[NH+](CC)CC ZINC001401907246 975992118 /nfs/dbraw/zinc/99/21/18/975992118.db2.gz SGVQMNSGAJWINQ-GJZGRUSLSA-N 2 0 281.444 1.707 10 0 CDAERP C[NH+](C)CC1(C(=O)N2CC[C@H]([NH2+]CCC(C)(C)C)C2)CC1 ZINC001389801322 975994262 /nfs/dbraw/zinc/99/42/62/975994262.db2.gz YMRRMAFSCQHXLL-AWEZNQCLSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+]2CC2CCC2)C1 ZINC001401924520 976014243 /nfs/dbraw/zinc/01/42/43/976014243.db2.gz UHXFEAGDRSYCAR-DZGCQCFKSA-N 2 0 279.428 1.319 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1CC1CCCC1 ZINC001401929711 976016168 /nfs/dbraw/zinc/01/61/68/976016168.db2.gz WSLFHEYIDLUJSO-HNNXBMFYSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001389905124 976041715 /nfs/dbraw/zinc/04/17/15/976041715.db2.gz WBXLJZSTWLSMOD-AAVRWANBSA-N 2 0 285.407 1.313 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001398732652 976130425 /nfs/dbraw/zinc/13/04/25/976130425.db2.gz OAOPMNQBXPWVSX-JKSUJKDBSA-N 2 0 295.471 1.957 10 0 CDAERP CCN(CC[NH2+]C(C)C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001406345968 976141032 /nfs/dbraw/zinc/14/10/32/976141032.db2.gz ZMBVKWBUNLJUCR-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1ccccc1 ZINC001406426698 976179200 /nfs/dbraw/zinc/17/92/00/976179200.db2.gz BDKNVFJIEKXHMW-CQSZACIVSA-N 2 0 277.412 1.621 10 0 CDAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CC1CCC1 ZINC001398929745 976250567 /nfs/dbraw/zinc/25/05/67/976250567.db2.gz UPARUIMWADCJPM-DZGCQCFKSA-N 2 0 281.444 1.754 10 0 CDAERP C[C@@H](F)CC[NH2+][C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001399010086 976283837 /nfs/dbraw/zinc/28/38/37/976283837.db2.gz BOULBLYMEWNYLN-NEPJUHHUSA-N 2 0 273.396 1.171 10 0 CDAERP CC[C@H](F)C[N@@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001402477867 976304602 /nfs/dbraw/zinc/30/46/02/976304602.db2.gz ZBRMHUWIRKNMGV-SOUVJXGZSA-N 2 0 299.434 1.609 10 0 CDAERP CC(C)CC[NH+]1CC(N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001380238850 976305168 /nfs/dbraw/zinc/30/51/68/976305168.db2.gz FCGSRGLWRBYHFJ-UHFFFAOYSA-N 2 0 281.444 1.517 10 0 CDAERP C[C@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH2+]CC1CC1 ZINC001399042455 976306026 /nfs/dbraw/zinc/30/60/26/976306026.db2.gz WSLAROLXICCZSV-MLGOLLRUSA-N 2 0 299.434 1.703 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC2)C1 ZINC001402571624 976369514 /nfs/dbraw/zinc/36/95/14/976369514.db2.gz GEMGHBUOLLFBAT-ZNMIVQPWSA-N 2 0 299.434 1.703 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cscn2)C1)[NH+](C)C ZINC001402608876 976393554 /nfs/dbraw/zinc/39/35/54/976393554.db2.gz MKJBZLUJDHYCLZ-LOWVWBTDSA-N 2 0 296.440 1.220 10 0 CDAERP O=C(N[C@H]1C[C@@H]([NH2+]C/C=C\Cl)C1)C12CC[NH+](CC1)C2 ZINC001402624533 976403377 /nfs/dbraw/zinc/40/33/77/976403377.db2.gz CRXZAOFCXHJNJP-MVKOGCTQSA-N 2 0 283.803 1.072 10 0 CDAERP O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001402644453 976421712 /nfs/dbraw/zinc/42/17/12/976421712.db2.gz LFIOEOBGLXUMRL-MRPPWBEGSA-N 2 0 299.846 1.852 10 0 CDAERP CN(CCC[N@H+](C)CCF)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001402651074 976424623 /nfs/dbraw/zinc/42/46/23/976424623.db2.gz CQSZPFNQBPSOQB-CYBMUJFWSA-N 2 0 273.396 1.078 10 0 CDAERP CC(C)CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001399315263 976435724 /nfs/dbraw/zinc/43/57/24/976435724.db2.gz NUVJVWRNYDOPRP-RBSFLKMASA-N 2 0 283.460 1.857 10 0 CDAERP C[NH+](C)CC1(C(=O)NCC[N@H+](C)CCC(C)(C)C)CC1 ZINC001390813493 976532464 /nfs/dbraw/zinc/53/24/64/976532464.db2.gz UBEXQDRMCODARZ-UHFFFAOYSA-N 2 0 283.460 1.812 10 0 CDAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1ccns1 ZINC001381101302 976673727 /nfs/dbraw/zinc/67/37/27/976673727.db2.gz IYMUGNQUYVTBRF-WCQYABFASA-N 2 0 296.440 1.031 10 0 CDAERP C[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1nccs1 ZINC001381181559 976709432 /nfs/dbraw/zinc/70/94/32/976709432.db2.gz NHNNJQBUKSMZLO-RYUDHWBXSA-N 2 0 296.440 1.222 10 0 CDAERP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]CCC(C)(C)C ZINC001381421829 976817039 /nfs/dbraw/zinc/81/70/39/976817039.db2.gz PRSHEWHOCYIMPS-STQMWFEESA-N 2 0 271.449 1.857 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001403243177 976833398 /nfs/dbraw/zinc/83/33/98/976833398.db2.gz MKFONZRLEFTLAY-RDJZCZTQSA-N 2 0 293.455 1.566 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H]1CC[NH+](CC2CC2)C1 ZINC001400162309 976902426 /nfs/dbraw/zinc/90/24/26/976902426.db2.gz MVAQCAFRETXDNK-HZPDHXFCSA-N 2 0 293.455 1.709 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC(C)([NH2+]C/C=C\Cl)CC2)C1 ZINC001408085920 976907540 /nfs/dbraw/zinc/90/75/40/976907540.db2.gz FULHGFMBZQAZBL-RBWDJNPFSA-N 2 0 299.846 1.661 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CC2)CC1(C)C)[NH+](C)C ZINC001403366888 976916563 /nfs/dbraw/zinc/91/65/63/976916563.db2.gz QSPLKMMGNWHIAZ-CABCVRRESA-N 2 0 295.471 1.809 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CCCC1 ZINC001391537917 976943800 /nfs/dbraw/zinc/94/38/00/976943800.db2.gz PFLOYPUBURPZIR-HOTGVXAUSA-N 2 0 293.455 1.802 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001391543288 976947247 /nfs/dbraw/zinc/94/72/47/976947247.db2.gz GWXCFYJNWWZUGS-GJZGRUSLSA-N 2 0 299.434 1.657 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001391572409 976970087 /nfs/dbraw/zinc/97/00/87/976970087.db2.gz CGUXLIXISJYHCI-GJZGRUSLSA-N 2 0 299.434 1.801 10 0 CDAERP CCN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](CC[C@H](C)F)C1 ZINC001391658733 977020863 /nfs/dbraw/zinc/02/08/63/977020863.db2.gz QTKJDKQTUXWEJP-GJZGRUSLSA-N 2 0 299.434 1.753 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]C(C)C)C1)[NH+](CC)CC ZINC001381969049 977104920 /nfs/dbraw/zinc/10/49/20/977104920.db2.gz TXVSMFHSMPWHLQ-KKUMJFAQSA-N 2 0 283.460 2.000 10 0 CDAERP CC[C@H](C(=O)N(CC)[C@@H]1CC[N@H+](CC(C)C)C1)[NH+](C)C ZINC001400741590 977166663 /nfs/dbraw/zinc/16/66/63/977166663.db2.gz GFAFAGJWXUDHPY-HUUCEWRRSA-N 2 0 283.460 1.905 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccccn1 ZINC001382168535 977202024 /nfs/dbraw/zinc/20/20/24/977202024.db2.gz TYAQEZNWFQDOAV-CQSZACIVSA-N 2 0 292.427 1.358 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]C[C@@H](C)OC)C(C)(C)C1 ZINC001382374360 977266985 /nfs/dbraw/zinc/26/69/85/977266985.db2.gz BXBRYOUWAOXAPK-ZIAGYGMSSA-N 2 0 299.459 1.190 10 0 CDAERP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC([NH2+]C/C=C\Cl)C1 ZINC001382562973 977308326 /nfs/dbraw/zinc/30/83/26/977308326.db2.gz FXTGRGPORGRASN-AHYQJBBHSA-N 2 0 285.819 1.412 10 0 CDAERP C[C@@H]([NH2+]CCN(C)C(=O)C[NH+]1CCCC1)c1ccccc1 ZINC001404329450 977412797 /nfs/dbraw/zinc/41/27/97/977412797.db2.gz OWXXTGLZEIZPFL-OAHLLOKOSA-N 2 0 289.423 1.891 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1ccc(F)cc1 ZINC001392536110 977474200 /nfs/dbraw/zinc/47/42/00/977474200.db2.gz KKCKUMMAHLWSNB-CYBMUJFWSA-N 2 0 295.402 1.760 10 0 CDAERP CC[NH2+]CCN(Cc1ccccc1)C(=O)C[NH+]1CCCC1 ZINC001569870859 1170022771 /nfs/dbraw/zinc/02/27/71/1170022771.db2.gz NANUVOLGVQPSJO-UHFFFAOYSA-N 2 0 289.423 1.721 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccns1 ZINC001393052086 977688430 /nfs/dbraw/zinc/68/84/30/977688430.db2.gz HRWORPDJBRRQJW-GFCCVEGCSA-N 2 0 296.440 1.175 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N[C@@]2(C)CC[NH+](C/C=C\Cl)C2)C1 ZINC001393118670 977713543 /nfs/dbraw/zinc/71/35/43/977713543.db2.gz MYHCHXCXUOMJFN-LXJUILQBSA-N 2 0 299.846 1.661 10 0 CDAERP CC[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001393646152 977883712 /nfs/dbraw/zinc/88/37/12/977883712.db2.gz VNNOYHUZIWDVOV-LSDHHAIUSA-N 2 0 283.460 1.907 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NC1(C[NH2+]CC2CC2)CCCCC1 ZINC001394179715 978097883 /nfs/dbraw/zinc/09/78/83/978097883.db2.gz FMAYWPHCDLHVPA-OAHLLOKOSA-N 2 0 293.455 1.899 10 0 CDAERP CC(C)[NH+]1CC([C@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001394232000 978112650 /nfs/dbraw/zinc/11/26/50/978112650.db2.gz VLRQJAFNVRUOML-ZFWWWQNUSA-N 2 0 281.444 1.706 10 0 CDAERP CC[NH+]1CC([C@H](C)NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001394247971 978115931 /nfs/dbraw/zinc/11/59/31/978115931.db2.gz LQRJJMMXEXFFNR-BLLLJJGKSA-N 2 0 299.434 1.655 10 0 CDAERP C[NH+](C)CCCC(=O)NCC1[C@H]2C[N@@H+](C/C=C/Cl)C[C@@H]12 ZINC001394303068 978130902 /nfs/dbraw/zinc/13/09/02/978130902.db2.gz ATIUVKKNYLDEHK-YRJZQEOKSA-N 2 0 299.846 1.375 10 0 CDAERP C[NH+](C)CCCCNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091360910 1174269464 /nfs/dbraw/zinc/26/94/64/1174269464.db2.gz XDPIBSLWDSZVJZ-KKUMJFAQSA-N 2 0 281.444 1.755 10 0 CDAERP CCOCC[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001676815774 1174276720 /nfs/dbraw/zinc/27/67/20/1174276720.db2.gz NZVQHOFOQNUWHE-GDBMZVCRSA-N 2 0 297.443 1.088 10 0 CDAERP CCCC[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001570362578 1170143432 /nfs/dbraw/zinc/14/34/32/1170143432.db2.gz XSDBDOOQGKDDKH-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H](C[NH2+]CCF)C1 ZINC001656546590 1171840436 /nfs/dbraw/zinc/84/04/36/1171840436.db2.gz JJCUQVLPCLZYBE-HIFRSBDPSA-N 2 0 299.434 1.657 10 0 CDAERP CCN(C(=O)C[NH+]1[C@H](C)CC[C@@H]1C)[C@@H]1CC[N@H+](CC)C1 ZINC000617928568 342480802 /nfs/dbraw/zinc/48/08/02/342480802.db2.gz RLBIZPJCEKYATI-QLFBSQMISA-N 2 0 281.444 1.802 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000624011957 342527171 /nfs/dbraw/zinc/52/71/71/342527171.db2.gz NRPIPDGJIVITJC-HRCADAONSA-N 2 0 285.476 1.806 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)C1 ZINC000618556316 349483074 /nfs/dbraw/zinc/48/30/74/349483074.db2.gz ANBQYNBGJDJSIW-IHRRRGAJSA-N 2 0 280.416 1.007 10 0 CDAERP C[C@@H]1C[C@H](C[NH+]2CCC(Cn3cnnc3)CC2)CC[NH2+]1 ZINC000650710673 398153749 /nfs/dbraw/zinc/15/37/49/398153749.db2.gz WRJMCAZTWVCIKP-UKRRQHHQSA-N 2 0 277.416 1.378 10 0 CDAERP Cc1nn(C(C)C)cc1C[NH2+]CCC1(C[NH3+])CC1 ZINC000650714353 398156417 /nfs/dbraw/zinc/15/64/17/398156417.db2.gz ZVTJQOPWTYDDKR-UHFFFAOYSA-N 2 0 250.390 1.991 10 0 CDAERP O=C(NC[C@@H]1CCC[NH2+]1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000335610572 295663904 /nfs/dbraw/zinc/66/39/04/295663904.db2.gz YTLKULMGAZBFGA-GJZGRUSLSA-N 2 0 294.443 1.398 10 0 CDAERP CCCn1cc(C[NH+]2CCC(CC[NH3+])CC2)cn1 ZINC000233420983 342039226 /nfs/dbraw/zinc/03/92/26/342039226.db2.gz QHCYJUMKSSHFNT-UHFFFAOYSA-N 2 0 250.390 1.854 10 0 CDAERP C[N@@H+]1CCC[C@@H]2C[NH+](CCOC3CCOCC3)CC[C@H]21 ZINC000625221843 342043183 /nfs/dbraw/zinc/04/31/83/342043183.db2.gz CODUTYLDMGVOFF-GDBMZVCRSA-N 2 0 282.428 1.598 10 0 CDAERP CC[NH+]1CCC(C[NH2+]Cc2c(C)nn(C)c2OC)CC1 ZINC000134400597 342070905 /nfs/dbraw/zinc/07/09/05/342070905.db2.gz NONCALNVUTUTIA-UHFFFAOYSA-N 2 0 280.416 1.559 10 0 CDAERP O=C(NC[C@@H]1CCC[NH2+]C1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000247038914 295665536 /nfs/dbraw/zinc/66/55/36/295665536.db2.gz SQZHCORFOKYIMZ-SYQHCUMBSA-N 2 0 265.401 1.023 10 0 CDAERP CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000591836918 342648339 /nfs/dbraw/zinc/64/83/39/342648339.db2.gz RHMWHYIAHNEQTG-VHDGCEQUSA-N 2 0 283.485 1.639 10 0 CDAERP [NH3+]C[C@@H]1C[NH2+]C[C@H]1c1cccc(Br)c1 ZINC000096884152 185120567 /nfs/dbraw/zinc/12/05/67/185120567.db2.gz YNGRAFMVUIPXJE-KOLCDFICSA-N 2 0 255.159 1.711 10 0 CDAERP COc1ccccc1C[C@H](C)[NH2+]CC1([NH3+])CCOCC1 ZINC000629387397 361899449 /nfs/dbraw/zinc/89/94/49/361899449.db2.gz IOPPMUGROSLQJV-ZDUSSCGKSA-N 2 0 278.396 1.724 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)CCc1ccc2c(c1)OCO2 ZINC000629392661 361908962 /nfs/dbraw/zinc/90/89/62/361908962.db2.gz RNHABGKTDRDVJU-ZDUSSCGKSA-N 2 0 294.395 1.562 10 0 CDAERP COc1ccc2c(c1)C[C@@H]([NH2+]CCOCCC[NH3+])CC2 ZINC000629398060 361929818 /nfs/dbraw/zinc/92/98/18/361929818.db2.gz KYVQAIMPTSBAEJ-HNNXBMFYSA-N 2 0 278.396 1.508 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000629399110 361930022 /nfs/dbraw/zinc/93/00/22/361930022.db2.gz LSUJXIGWCPUENS-UHFFFAOYSA-N 2 0 288.395 1.386 10 0 CDAERP CC(C)(C[NH2+]CCOCCC[NH3+])c1ccccc1 ZINC000629402232 361940423 /nfs/dbraw/zinc/94/04/23/361940423.db2.gz XZHBSKFJWVUWJC-UHFFFAOYSA-N 2 0 250.386 1.919 10 0 CDAERP CC(C)[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)C1CC1 ZINC000151337253 539073607 /nfs/dbraw/zinc/07/36/07/539073607.db2.gz BZPMDOILBTWXBF-LSDHHAIUSA-N 2 0 254.418 1.857 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000594293813 342888595 /nfs/dbraw/zinc/88/85/95/342888595.db2.gz WZJFOAFTRDZTCA-RBSFLKMASA-N 2 0 296.459 1.643 10 0 CDAERP CC(C)[C@@H]1CC[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000353511484 539098137 /nfs/dbraw/zinc/09/81/37/539098137.db2.gz BNSPNTKWASWNBF-KKUMJFAQSA-N 2 0 281.444 1.598 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)C1CCCCC1 ZINC000600955349 342257978 /nfs/dbraw/zinc/25/79/78/342257978.db2.gz WDVZFQFIAPPAJO-OAHLLOKOSA-N 2 0 281.444 1.851 10 0 CDAERP C[N@@H+]1CCCN(CCC[NH2+]C2CC(CF)(CF)C2)CC1 ZINC000657874263 539112474 /nfs/dbraw/zinc/11/24/74/539112474.db2.gz ZDMLQXAGZXAQAE-UHFFFAOYSA-N 2 0 289.414 1.691 10 0 CDAERP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@](C)(O)C(C)=O ZINC000626063895 342297555 /nfs/dbraw/zinc/29/75/55/342297555.db2.gz USJCGCGZVITJPP-QGZVFWFLSA-N 2 0 292.423 1.910 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000594921718 342987518 /nfs/dbraw/zinc/98/75/18/342987518.db2.gz RWHGBALLIJZSDR-BYNSBNAKSA-N 2 0 282.428 1.894 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CC[NH+](C)C(C)(C)C2)CC[N@@H+]1C ZINC000551955178 290032277 /nfs/dbraw/zinc/03/22/77/290032277.db2.gz XYLPFCMKDIVMIJ-STQMWFEESA-N 2 0 267.417 1.269 10 0 CDAERP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000629515134 362129804 /nfs/dbraw/zinc/12/98/04/362129804.db2.gz YWGDVBJKDDHQEY-SJWGOKEGSA-N 2 0 290.407 1.470 10 0 CDAERP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000645104710 362118523 /nfs/dbraw/zinc/11/85/23/362118523.db2.gz QXRKYEBFPNBTQZ-ANQUJSFKSA-N 2 0 293.455 1.885 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)c1ccc2c(c1)OCCCO2 ZINC000629529036 362155258 /nfs/dbraw/zinc/15/52/58/362155258.db2.gz QBIYGOISRCKAGF-CYBMUJFWSA-N 2 0 294.395 1.735 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1 ZINC000629530866 362159829 /nfs/dbraw/zinc/15/98/29/362159829.db2.gz TVEYZZDRBVBJDF-ZDUSSCGKSA-N 2 0 289.383 1.154 10 0 CDAERP [NH3+]CC1(O)CC[NH+](CCCCOc2ccccc2)CC1 ZINC000148096004 342436929 /nfs/dbraw/zinc/43/69/29/342436929.db2.gz ZNIGFPWVSPUILD-UHFFFAOYSA-N 2 0 278.396 1.631 10 0 CDAERP C[NH+](C)[C@H]1CC[C@@H](NC(=O)N2CCC3(CC[NH2+]C3)CC2)C1 ZINC000334938148 282266204 /nfs/dbraw/zinc/26/62/04/282266204.db2.gz QQLNJKCNIBVMBR-KGLIPLIRSA-N 2 0 294.443 1.254 10 0 CDAERP CCOC(=O)[C@H]1CN(Cc2ccccc2)CC12C[NH2+]C2 ZINC000396679084 344341883 /nfs/dbraw/zinc/34/18/83/344341883.db2.gz DFEQDFBEHDNAEZ-CQSZACIVSA-N 2 0 274.364 1.271 10 0 CDAERP O=C(NC[C@@H]1CCCC[NH+]1Cc1ccccc1)C1C[NH2+]C1 ZINC000263276033 362433585 /nfs/dbraw/zinc/43/35/85/362433585.db2.gz IUNJYEFGVZYYNN-INIZCTEOSA-N 2 0 287.407 1.377 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)[C@@H]1CC[C@H]([NH3+])C1)C1CCCCC1 ZINC000262676435 344697391 /nfs/dbraw/zinc/69/73/91/344697391.db2.gz SDKGYTLTFWQCNU-QLFBSQMISA-N 2 0 281.444 1.741 10 0 CDAERP C[C@@H]1CCC[C@](CNC(=O)[C@]2(C)CCC[NH2+]2)([NH+](C)C)C1 ZINC000079519388 345303568 /nfs/dbraw/zinc/30/35/68/345303568.db2.gz DBDHVBVDBLXVFZ-KBMXLJTQSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000607280548 345335778 /nfs/dbraw/zinc/33/57/78/345335778.db2.gz WKCTWVRIMLEFDP-STQMWFEESA-N 2 0 293.415 1.256 10 0 CDAERP Cc1cc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cc2cccnc12 ZINC000263289361 362585398 /nfs/dbraw/zinc/58/53/98/362585398.db2.gz VMLLZAOKRDGVQA-GJZGRUSLSA-N 2 0 271.364 1.213 10 0 CDAERP C[C@@]1(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000079514716 362646587 /nfs/dbraw/zinc/64/65/87/362646587.db2.gz GKLPOQRHBBGJFA-WBVHZDCISA-N 2 0 287.407 1.519 10 0 CDAERP CC(C)[N@H+](C)CC1CCN(C(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC000079518397 362661122 /nfs/dbraw/zinc/66/11/22/362661122.db2.gz OHYAQQFRGSKBLF-INIZCTEOSA-N 2 0 281.444 1.707 10 0 CDAERP c1cc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000623754158 345980228 /nfs/dbraw/zinc/98/02/28/345980228.db2.gz KHIDAHYTLLIOHU-CJNGLKHVSA-N 2 0 284.363 1.924 10 0 CDAERP Cc1noc(CC[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)n1 ZINC000623405140 346182400 /nfs/dbraw/zinc/18/24/00/346182400.db2.gz ZWDKMCRRQWFVHH-NSHDSACASA-N 2 0 252.362 1.383 10 0 CDAERP CC1CC[NH+](CCCNC(=O)[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000085371334 179041292 /nfs/dbraw/zinc/04/12/92/179041292.db2.gz WEGDATRYFGIIDV-ZIAGYGMSSA-N 2 0 267.417 1.352 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCC[C@@H]1[NH3+])c1cccs1 ZINC000085370945 179041442 /nfs/dbraw/zinc/04/14/42/179041442.db2.gz PZLSRWPYULUYSU-FRRDWIJNSA-N 2 0 295.452 1.985 10 0 CDAERP C[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085371877 179041759 /nfs/dbraw/zinc/04/17/59/179041759.db2.gz PXUIQZAPMHPACA-HOTGVXAUSA-N 2 0 289.423 1.882 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000085374293 179043481 /nfs/dbraw/zinc/04/34/81/179043481.db2.gz AYRFGJRZSQPUEW-AGIUHOORSA-N 2 0 253.390 1.057 10 0 CDAERP CC(C)CO[C@H]1C[C@@H]([NH2+]CCN2CC[NH+](C)CC2)C1(C)C ZINC000085400703 179052046 /nfs/dbraw/zinc/05/20/46/179052046.db2.gz DKKIZVPARANHHF-CVEARBPZSA-N 2 0 297.487 1.663 10 0 CDAERP C[NH+](C)CCN(CC(F)(F)F)C1CC[NH2+]CC1 ZINC000085402842 179052648 /nfs/dbraw/zinc/05/26/48/179052648.db2.gz AHNJZSLDFIFQNL-UHFFFAOYSA-N 2 0 253.312 1.164 10 0 CDAERP CNC(=O)CCC[N@@H+]1CCCCC[C@H]1C1CC[NH2+]CC1 ZINC000085403621 179052991 /nfs/dbraw/zinc/05/29/91/179052991.db2.gz PVASULTXCJZIPT-HNNXBMFYSA-N 2 0 281.444 1.757 10 0 CDAERP Cc1nc2c(n1C[C@H]1CC[N@@H+](C(C)C)C1)CC[NH2+]C2 ZINC000085572504 179097109 /nfs/dbraw/zinc/09/71/09/179097109.db2.gz ZYRRZMCTAVNNED-ZDUSSCGKSA-N 2 0 262.401 1.568 10 0 CDAERP CC[C@@H](C)[C@H]1C[N@H+](CCn2ccnc2C)CCC[NH2+]1 ZINC000085609270 179101252 /nfs/dbraw/zinc/10/12/52/179101252.db2.gz AASMNVDVJZVYOR-UKRRQHHQSA-N 2 0 264.417 1.902 10 0 CDAERP Cc1nccn1CC[N@@H+]1CCC[NH2+][C@](C)(C2CC2)C1 ZINC000085613060 179102491 /nfs/dbraw/zinc/10/24/91/179102491.db2.gz ROHGRARYUDJCRW-HNNXBMFYSA-N 2 0 262.401 1.656 10 0 CDAERP CC[C@]1(C)C[N@H+](CCn2ccnc2C)CCC[NH2+]1 ZINC000085616928 179104427 /nfs/dbraw/zinc/10/44/27/179104427.db2.gz HETXLFODZYXMRZ-CQSZACIVSA-N 2 0 250.390 1.656 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCC(C[NH+]2CCOCC2)CC1 ZINC000414678406 365832635 /nfs/dbraw/zinc/83/26/35/365832635.db2.gz QSYOHWFPECVWGU-INIZCTEOSA-N 2 0 283.460 1.404 10 0 CDAERP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623440120 346758532 /nfs/dbraw/zinc/75/85/32/346758532.db2.gz JNVAKHKCTJWPAP-OAHLLOKOSA-N 3 0 296.503 1.475 10 0 CDAERP COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000414683576 365873162 /nfs/dbraw/zinc/87/31/62/365873162.db2.gz BNSCRACITHPXCG-KFWWJZLASA-N 2 0 299.459 1.223 10 0 CDAERP COC(=O)c1cc(C(C)(C)NCCn2ccnc2C)no1 ZINC000352028001 362787614 /nfs/dbraw/zinc/78/76/14/362787614.db2.gz OFGJGUYJJHNDGS-UHFFFAOYSA-N 2 0 292.339 1.491 10 0 CDAERP CCC[NH+]1CCC(N2CC[NH2+][C@](C)(CC)C2)CC1 ZINC000086144506 179237340 /nfs/dbraw/zinc/23/73/40/179237340.db2.gz MOCSAWVKDMAUCC-OAHLLOKOSA-N 2 0 253.434 1.935 10 0 CDAERP CC[C@@H]1C[NH2+][C@](C)(C2CC2)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223086 179251041 /nfs/dbraw/zinc/25/10/41/179251041.db2.gz LAEGUXUIPWYMII-BMFZPTHFSA-N 2 0 265.445 1.791 10 0 CDAERP C[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1C[C@@H]1CCC[N@H+](C)C1 ZINC000086259213 179258390 /nfs/dbraw/zinc/25/83/90/179258390.db2.gz INUFBLDPMYLASF-IIAWOOMASA-N 2 0 265.445 1.791 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(CC(F)F)C2)CC1(C)C ZINC000623552591 347629037 /nfs/dbraw/zinc/62/90/37/347629037.db2.gz MEHKOTRAQQGCQK-RYUDHWBXSA-N 2 0 275.387 1.788 10 0 CDAERP [NH3+]C/C=C/CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000641862805 365947807 /nfs/dbraw/zinc/94/78/07/365947807.db2.gz SEQZPHOIOSKLDA-BAABZTOOSA-N 2 0 280.416 1.161 10 0 CDAERP C[NH+](C)[C@H]1CCN(c2cccc(Cl)c2CC[NH3+])C1 ZINC000104256258 185945779 /nfs/dbraw/zinc/94/57/79/185945779.db2.gz BBTONCILBPHIAZ-NSHDSACASA-N 2 0 267.804 1.982 10 0 CDAERP CC(C)C[NH2+]CC1CC[NH+]([C@@H](C)C(=O)N(C)C)CC1 ZINC000104412957 185992787 /nfs/dbraw/zinc/99/27/87/185992787.db2.gz GXOGIUZUWOOYTD-ZDUSSCGKSA-N 2 0 269.433 1.421 10 0 CDAERP CC1(C)[C@H]([NH2+]CCOCCC[NH3+])[C@@H]2CCCO[C@H]21 ZINC000629534910 362959266 /nfs/dbraw/zinc/95/92/66/362959266.db2.gz BCDOECAUBVDOLO-YNEHKIRRSA-N 2 0 256.390 1.145 10 0 CDAERP COc1ccc2c(c1)[C@@H]([NH2+]CCOCCC[NH3+])CCCO2 ZINC000629541234 362964720 /nfs/dbraw/zinc/96/47/20/362964720.db2.gz YOBHLAQFOTVFIF-HNNXBMFYSA-N 2 0 294.395 1.864 10 0 CDAERP C[C@@H]1C[C@H](C)[N@H+](CCOC2CCOCC2)C[C@@H]1C[NH3+] ZINC000629542430 362966416 /nfs/dbraw/zinc/96/64/16/362966416.db2.gz ZHPVNRZFSOSZOG-RDBSUJKOSA-N 2 0 270.417 1.487 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000641937764 365981902 /nfs/dbraw/zinc/98/19/02/365981902.db2.gz HDMPHKPFDCPLIU-RMRHIDDWSA-N 2 0 294.443 1.380 10 0 CDAERP CCn1cc(CC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cn1 ZINC000621775126 350771537 /nfs/dbraw/zinc/77/15/37/350771537.db2.gz GVFDHNPFNSRDLQ-CVEARBPZSA-N 2 0 276.428 1.910 10 0 CDAERP CCc1cnc(CC[NH2+]C[C@H](O)C[NH+]2CCCC2)s1 ZINC000629562991 363009431 /nfs/dbraw/zinc/00/94/31/363009431.db2.gz DCGXJVXWRCDSHG-LBPRGKRZSA-N 2 0 283.441 1.294 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)CCOc1ccccc1F ZINC000629567621 363017880 /nfs/dbraw/zinc/01/78/80/363017880.db2.gz PTTYHWWVIRJCDG-UHFFFAOYSA-N 2 0 270.348 1.372 10 0 CDAERP CN1CCC[C@H]1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000623786748 351277466 /nfs/dbraw/zinc/27/74/66/351277466.db2.gz HDMSOYIQRRSNIT-AWEZNQCLSA-N 2 0 271.368 1.451 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)C[C@@H]1CCCCC1(F)F ZINC000629572534 363027353 /nfs/dbraw/zinc/02/73/53/363027353.db2.gz WIAQFENLHHYHMK-LBPRGKRZSA-N 2 0 264.360 1.980 10 0 CDAERP CC1(C)[C@@H](C[NH2+]C[C@H](O)C[NH+]2CCCC2)C1(F)F ZINC000629585257 363051917 /nfs/dbraw/zinc/05/19/17/363051917.db2.gz ORLKQTAYZZSLQQ-WDEREUQCSA-N 2 0 262.344 1.324 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)[C@@H]1CC1(C)C ZINC000487295270 366035124 /nfs/dbraw/zinc/03/51/24/366035124.db2.gz CWERYXCIXCGMKU-MCIONIFRSA-N 2 0 253.434 1.647 10 0 CDAERP CCC[NH2+]CCNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000418459538 535165844 /nfs/dbraw/zinc/16/58/44/535165844.db2.gz JCAOMDFPWIZFIT-GFCCVEGCSA-N 2 0 278.400 1.505 10 0 CDAERP COCC[N@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@H]1CCOC1 ZINC000414743701 366055416 /nfs/dbraw/zinc/05/54/16/366055416.db2.gz HOITTZAKUNIYKM-MJBXVCDLSA-N 2 0 256.390 1.112 10 0 CDAERP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](COC)CC1 ZINC000569938285 363226297 /nfs/dbraw/zinc/22/62/97/363226297.db2.gz VTJXXCWNKANSOK-UONOGXRCSA-N 2 0 258.406 1.048 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1cc(C)ccc1F ZINC000629652684 363251882 /nfs/dbraw/zinc/25/18/82/363251882.db2.gz CGVKSARJUNPBHF-UHFFFAOYSA-N 2 0 254.349 1.802 10 0 CDAERP C[C@H](CCCO)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000453276748 363292854 /nfs/dbraw/zinc/29/28/54/363292854.db2.gz MZOILDROPKVLIF-BARDWOONSA-N 2 0 254.418 1.857 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)C1 ZINC000569473795 358501211 /nfs/dbraw/zinc/50/12/11/358501211.db2.gz WERBULAFQPKQAH-QLFBSQMISA-N 2 0 279.428 1.413 10 0 CDAERP OCC[NH2+]CCC[NH2+]Cc1ccc(Br)cc1 ZINC000013732745 356355593 /nfs/dbraw/zinc/35/55/93/356355593.db2.gz NTPQAVPHGQAEDT-UHFFFAOYSA-N 2 0 287.201 1.511 10 0 CDAERP COC[C@@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)OC ZINC000659947412 412627491 /nfs/dbraw/zinc/62/74/91/412627491.db2.gz KXCRWKDBMACRQE-UONOGXRCSA-N 2 0 256.390 1.066 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000634684943 356768480 /nfs/dbraw/zinc/76/84/80/356768480.db2.gz CKWKUVCTDGLAIL-LSDHHAIUSA-N 2 0 285.476 1.806 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N(C)CCC[NH+](C)C ZINC000185925399 357131759 /nfs/dbraw/zinc/13/17/59/357131759.db2.gz ZOJLYXDZPVUPQO-ZDUSSCGKSA-N 2 0 272.437 1.310 10 0 CDAERP CCCN1CCC[C@H]1C[NH2+]C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000634714214 357418571 /nfs/dbraw/zinc/41/85/71/357418571.db2.gz IACLRGNFENPNCW-JYJNAYRXSA-N 2 0 284.444 1.362 10 0 CDAERP Nc1nccc([C@@H]2CCC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000582053268 357470639 /nfs/dbraw/zinc/47/06/39/357470639.db2.gz UACIJIDSIAVBJM-UONOGXRCSA-N 2 0 289.427 1.458 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)CC[C@H](C)F ZINC001660502738 1172223396 /nfs/dbraw/zinc/22/33/96/1172223396.db2.gz XRNLYCNJQHZOPB-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CSC1(C[NH2+]C[C@H](O)C[NH+]2CCCCC2)CCC1 ZINC000310846883 358040747 /nfs/dbraw/zinc/04/07/47/358040747.db2.gz IMMNRLFCXMRNKU-ZDUSSCGKSA-N 2 0 272.458 1.709 10 0 CDAERP C=Cn1cc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cn1 ZINC000193903471 358330414 /nfs/dbraw/zinc/33/04/14/358330414.db2.gz DUSHIUQKWNQOFK-AWEZNQCLSA-N 2 0 292.427 1.508 10 0 CDAERP CC[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)CC1CCC1 ZINC001660613759 1172244519 /nfs/dbraw/zinc/24/45/19/1172244519.db2.gz FVEQJFVFJXWFIO-UHFFFAOYSA-N 2 0 293.455 1.711 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)[C@H]1CCC[NH2+]C1 ZINC000569591884 358655738 /nfs/dbraw/zinc/65/57/38/358655738.db2.gz NIQUIQKBTWWCGK-AVGNSLFASA-N 2 0 293.377 1.848 10 0 CDAERP CC(C)OC[C@H](O)C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000062071520 358800555 /nfs/dbraw/zinc/80/05/55/358800555.db2.gz WVJZFEJCZNAGFV-UONOGXRCSA-N 2 0 258.406 1.094 10 0 CDAERP C[C@@H](CC[NH+](C)C)NC(=O)c1ccccc1CC[NH3+] ZINC000070542134 358965561 /nfs/dbraw/zinc/96/55/61/358965561.db2.gz LCEXABYEESUYCS-LBPRGKRZSA-N 2 0 263.385 1.258 10 0 CDAERP C[C@]1(CN2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC[NH2+]C1 ZINC000261997206 359119442 /nfs/dbraw/zinc/11/94/42/359119442.db2.gz KXXXYCPBFKJGCH-XHSDSOJGSA-N 2 0 259.397 1.413 10 0 CDAERP CC(C)C[C@H]([NH2+][C@@H](C)C1CCC1)C(=O)NCC[NH+](C)C ZINC000347217677 359235740 /nfs/dbraw/zinc/23/57/40/359235740.db2.gz ALQJDQCIZPKRRK-ZFWWWQNUSA-N 2 0 283.460 1.857 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cccc(OC)n2)[C@@H](C)C1 ZINC000347423996 359360929 /nfs/dbraw/zinc/36/09/29/359360929.db2.gz YYROAQTWQWPGKY-DZGCQCFKSA-N 2 0 277.412 1.953 10 0 CDAERP CC[NH+](CC)CCCNC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000358666871 359516317 /nfs/dbraw/zinc/51/63/17/359516317.db2.gz OKERYXAMJWYCRY-UHFFFAOYSA-N 2 0 296.459 1.670 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC[NH2+]C2CC2)[C@@H](C)C1 ZINC000637297159 359663540 /nfs/dbraw/zinc/66/35/40/359663540.db2.gz DEIHACZSODXZCO-GXTWGEPZSA-N 2 0 282.432 1.110 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CCC([NH2+]C(C)C)CC2)C1 ZINC000111836743 359669600 /nfs/dbraw/zinc/66/96/00/359669600.db2.gz MRWIJNXZFDQMDB-HNNXBMFYSA-N 2 0 296.459 1.643 10 0 CDAERP Cc1cc(C[C@H](C)[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])[nH]n1 ZINC000422991930 359704022 /nfs/dbraw/zinc/70/40/22/359704022.db2.gz QLZQPEODQBRSKY-LEWSCRJBSA-N 2 0 250.390 1.899 10 0 CDAERP CC[C@H](C[NH2+][C@H](CCC[NH3+])COC)N1CCCC1 ZINC000422967412 359725583 /nfs/dbraw/zinc/72/55/83/359725583.db2.gz SZXCKHGCMJKQNT-ZIAGYGMSSA-N 2 0 257.422 1.204 10 0 CDAERP C[C@@H]1CN(C(=O)C2([NH3+])CCCCC2)C[C@@]1(C)C[NH3+] ZINC000335302638 359725962 /nfs/dbraw/zinc/72/59/62/359725962.db2.gz JJILKCBNYNTHKA-DGCLKSJQSA-N 2 0 253.390 1.091 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1cc(F)cc(OC)c1 ZINC000423012515 359741299 /nfs/dbraw/zinc/74/12/99/359741299.db2.gz DGUCZUJCYUPGDO-ZDUSSCGKSA-N 2 0 270.348 1.678 10 0 CDAERP CO[C@H](CC[NH2+][C@@H]1CCC[C@H]1C[NH3+])C(F)(F)F ZINC000423075497 359747971 /nfs/dbraw/zinc/74/79/71/359747971.db2.gz XCWPYRDAEGFPBM-IVZWLZJFSA-N 2 0 254.296 1.671 10 0 CDAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423459156 359799145 /nfs/dbraw/zinc/79/91/45/359799145.db2.gz RFKBMQSDVCDOJY-XEIOYGOASA-N 2 0 285.435 1.704 10 0 CDAERP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)[C@@H]1C[C@H]1C ZINC000423502593 359827293 /nfs/dbraw/zinc/82/72/93/359827293.db2.gz CZGMOHDRSGFUJT-BKAAIYKLSA-N 2 0 265.445 1.837 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+][C@H]2CC[C@H]2C(C)(C)C)CC1 ZINC000348102892 359836020 /nfs/dbraw/zinc/83/60/20/359836020.db2.gz BAUOFYYVOFABOH-OLZOCXBDSA-N 2 0 254.418 1.857 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000335393097 360147340 /nfs/dbraw/zinc/14/73/40/360147340.db2.gz BMBFIXSUPBOQQA-GOEBONIOSA-N 2 0 279.428 1.463 10 0 CDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccco2)CC1 ZINC000121081214 360112590 /nfs/dbraw/zinc/11/25/90/360112590.db2.gz PACJOJNWLLAPHI-ZDUSSCGKSA-N 2 0 266.385 1.804 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000094646871 360276890 /nfs/dbraw/zinc/27/68/90/360276890.db2.gz PIYKTMGNBBRKBI-RBSFLKMASA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H]([NH3+])C1C[NH+](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000090410975 296016423 /nfs/dbraw/zinc/01/64/23/296016423.db2.gz OUJCVYXHSWGCHN-LLVKDONJSA-N 2 0 283.416 1.665 10 0 CDAERP CC[N@@H+]1C[C@H](C)N(C(=O)[C@H]2CCc3nc[nH]c3C2)C[C@H]1C ZINC000613147633 360515289 /nfs/dbraw/zinc/51/52/89/360515289.db2.gz FDVNJSKEJNQEIC-AGIUHOORSA-N 2 0 290.411 1.456 10 0 CDAERP Nc1nccc([C@@H]2CCC[N@H+](CCCn3ccnc3)C2)n1 ZINC000365985770 360770737 /nfs/dbraw/zinc/77/07/37/360770737.db2.gz DGJDEOGWYCVTOQ-CYBMUJFWSA-N 2 0 286.383 1.355 10 0 CDAERP C[C@H]([NH2+]C[C@H](c1ccco1)N(C)C)[C@@H]1CC[NH2+]C1 ZINC000400331523 299316844 /nfs/dbraw/zinc/31/68/44/299316844.db2.gz BZBBVKYSIHCZSJ-YNEHKIRRSA-N 2 0 251.374 1.470 10 0 CDAERP C[C@@H]([NH3+])c1ccc(C(=O)N2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000335435045 296029540 /nfs/dbraw/zinc/02/95/40/296029540.db2.gz PYBHFEIZKYZFLY-CYBMUJFWSA-N 2 0 287.407 1.922 10 0 CDAERP Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339076051 361267607 /nfs/dbraw/zinc/26/76/07/361267607.db2.gz RLTJHPAKPHRROU-CABCVRRESA-N 2 0 276.428 1.796 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNc1ncnc2[nH]ccc21 ZINC000339134284 361311396 /nfs/dbraw/zinc/31/13/96/361311396.db2.gz QDDKISFCIFDOHK-LLVKDONJSA-N 2 0 259.357 1.666 10 0 CDAERP C[C@@H](NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)[C@H](C)[NH3+] ZINC000418712101 296054482 /nfs/dbraw/zinc/05/44/82/296054482.db2.gz WTCJBPYCVXCZIV-YNEHKIRRSA-N 2 0 270.421 1.238 10 0 CDAERP Cc1nc(F)ccc1C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000278426682 366859376 /nfs/dbraw/zinc/85/93/76/366859376.db2.gz RLHSYLCUUVYFJN-UHFFFAOYSA-N 2 0 294.418 1.645 10 0 CDAERP CC(C)C[C@@H]([NH3+])c1noc(-c2cc([C@H]3CC[NH2+]C3)[nH]n2)n1 ZINC000514603727 364753434 /nfs/dbraw/zinc/75/34/34/364753434.db2.gz WAWBHWUEFLIZJE-VHSXEESVSA-N 2 0 290.371 1.583 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCO[C@@H]2CCOC2)[C@H]2CCC[C@H]21 ZINC000353404041 364938327 /nfs/dbraw/zinc/93/83/27/364938327.db2.gz LTJZUSPHSSZXMJ-LVQVYYBASA-N 2 0 282.428 1.644 10 0 CDAERP C[C@H]1C[C@H](C[NH+]2CCN(c3cccc(O)c3)CC2)CC[NH2+]1 ZINC000414682705 241318876 /nfs/dbraw/zinc/31/88/76/241318876.db2.gz RTTSGRSYDGBKGY-LSDHHAIUSA-N 2 0 289.423 1.902 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000516781931 367183336 /nfs/dbraw/zinc/18/33/36/367183336.db2.gz BLYZGSRJKOVBES-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H]1CC[C@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)C[NH2+]1 ZINC000627002174 367224634 /nfs/dbraw/zinc/22/46/34/367224634.db2.gz SEAWHRSGFPYJPX-PPWQZUPISA-N 2 0 296.459 1.547 10 0 CDAERP C[C@H](C[C@@H]1COCCN1)[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000516921259 367211704 /nfs/dbraw/zinc/21/17/04/367211704.db2.gz YIYZBZWEDZHEIR-CHWSQXEVSA-N 2 0 292.427 1.156 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000220186296 367277729 /nfs/dbraw/zinc/27/77/29/367277729.db2.gz NEXWHPBGVFABGV-JHJVBQTASA-N 2 0 255.406 1.221 10 0 CDAERP CCCCCNC(=O)[C@@H](C)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000572523780 367308361 /nfs/dbraw/zinc/30/83/61/367308361.db2.gz MYZFLTDCIJMKGA-ZBFHGGJFSA-N 2 0 281.444 1.757 10 0 CDAERP CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000627199294 367687157 /nfs/dbraw/zinc/68/71/57/367687157.db2.gz UWHGVBRROMPNGJ-HZSPNIEDSA-N 2 0 282.432 1.299 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)NC[C@@H](C)[NH2+]CC)CC1 ZINC000417390986 242452962 /nfs/dbraw/zinc/45/29/62/242452962.db2.gz MLRMTJUORZXUDZ-CYBMUJFWSA-N 2 0 284.448 1.406 10 0 CDAERP CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627202351 367695936 /nfs/dbraw/zinc/69/59/36/367695936.db2.gz IERFTSOQUAGVEF-KGLIPLIRSA-N 2 0 284.448 1.500 10 0 CDAERP CC(C)[NH+]1CCC([N@H+](C)C[C@H](O)CC2(O)CCC2)CC1 ZINC000528366650 367752257 /nfs/dbraw/zinc/75/22/57/367752257.db2.gz HZXHCCQOIYAEIJ-OAHLLOKOSA-N 2 0 284.444 1.457 10 0 CDAERP C[NH+](C)C[C@H](NC(=O)C1=CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000638052865 367809464 /nfs/dbraw/zinc/80/94/64/367809464.db2.gz BRQPWQKZDWBLLJ-CABCVRRESA-N 2 0 273.380 1.453 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638070755 368019683 /nfs/dbraw/zinc/01/96/83/368019683.db2.gz WBRMHLZJBJRROT-WCQYABFASA-N 2 0 251.374 1.025 10 0 CDAERP C[C@@H]1CCC[C@@](CNC(=O)CCC2C[NH2+]C2)([NH+](C)C)C1 ZINC000638077862 368108885 /nfs/dbraw/zinc/10/88/85/368108885.db2.gz CAFOBWOOQUQMLC-CZUORRHYSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000418575957 243228849 /nfs/dbraw/zinc/22/88/49/243228849.db2.gz NSVOHBWKFXMMFR-XHDPSFHLSA-N 2 0 288.395 1.087 10 0 CDAERP CC[NH2+][C@H](C)C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000638119679 368508346 /nfs/dbraw/zinc/50/83/46/368508346.db2.gz BIJNFSNQXCHCBM-UPJWGTAASA-N 2 0 253.390 1.070 10 0 CDAERP CC[NH2+][C@H](C)C(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000638119681 368508599 /nfs/dbraw/zinc/50/85/99/368508599.db2.gz BIJNFSNQXCHCBM-YNEHKIRRSA-N 2 0 253.390 1.070 10 0 CDAERP CCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001661307014 1172366977 /nfs/dbraw/zinc/36/69/77/1172366977.db2.gz MFMRDDMKJNOUND-GJZGRUSLSA-N 2 0 297.443 1.086 10 0 CDAERP CNC(=O)C[C@H](NCC[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000361633669 368950630 /nfs/dbraw/zinc/95/06/30/368950630.db2.gz WISSPQLZRLUVHB-CVEARBPZSA-N 2 0 289.423 1.938 10 0 CDAERP [NH3+][C@H](Cc1cn(C[C@H]2CCC[NH2+]2)nn1)Cc1ccccc1 ZINC000630605494 369386991 /nfs/dbraw/zinc/38/69/91/369386991.db2.gz JRRCTEMRIOZEOJ-LSDHHAIUSA-N 2 0 285.395 1.143 10 0 CDAERP CC(C)C[C@@H](C)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000546617576 369409038 /nfs/dbraw/zinc/40/90/38/369409038.db2.gz NMBDLNGQUWNWKR-CQSZACIVSA-N 2 0 271.449 1.620 10 0 CDAERP CC1CC[NH+](CCNC(=O)N2CC[C@H]([NH+](C)C)C2)CC1 ZINC000170829640 369498862 /nfs/dbraw/zinc/49/88/62/369498862.db2.gz BGMJMJDTUZGJOB-AWEZNQCLSA-N 2 0 282.432 1.064 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170829723 369499302 /nfs/dbraw/zinc/49/93/02/369499302.db2.gz OMLZQBGWBVGKSJ-KGLIPLIRSA-N 2 0 282.432 1.206 10 0 CDAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CCO[C@@H](C3CC3)C2)CC1 ZINC000369202161 369711646 /nfs/dbraw/zinc/71/16/46/369711646.db2.gz GYAIVCSBCJMRBZ-QGZVFWFLSA-N 2 0 295.471 1.513 10 0 CDAERP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCN(C2CC2)CC1 ZINC000369776477 369877049 /nfs/dbraw/zinc/87/70/49/369877049.db2.gz AOAGVECBUAVBCF-UKRRQHHQSA-N 2 0 292.427 1.103 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000137107583 369914314 /nfs/dbraw/zinc/91/43/14/369914314.db2.gz LJPXBFLBTDAXKI-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CCn1nccc1CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000370185608 369976978 /nfs/dbraw/zinc/97/69/78/369976978.db2.gz RDQYIIPJLLSBGV-ZBFHGGJFSA-N 2 0 276.428 1.862 10 0 CDAERP O=C(C[C@@H]1CCC[NH2+]1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000371232382 370218986 /nfs/dbraw/zinc/21/89/86/370218986.db2.gz RXTUUYPMEOMNIY-HZSPNIEDSA-N 2 0 265.401 1.119 10 0 CDAERP C[NH2+]C[C@H]1CCCN1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000418134531 370197156 /nfs/dbraw/zinc/19/71/56/370197156.db2.gz PJXVFXRQSBTNMW-SHARSMKWSA-N 2 0 294.443 1.397 10 0 CDAERP CC[C@@H](C)C[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000120460118 370402673 /nfs/dbraw/zinc/40/26/73/370402673.db2.gz IKUHUMSEEKNDMH-IAGOWNOFSA-N 2 0 297.487 1.759 10 0 CDAERP CCC[C@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)C1CCCC1 ZINC000566120888 370616516 /nfs/dbraw/zinc/61/65/16/370616516.db2.gz RDFKEBSMWMXZJS-IRXDYDNUSA-N 2 0 297.487 1.543 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCN(c2ccccc2)C1=O ZINC000422698009 245155631 /nfs/dbraw/zinc/15/56/31/245155631.db2.gz XGENDTAKIWOSGT-UKRRQHHQSA-N 2 0 291.395 1.135 10 0 CDAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000567614275 371065462 /nfs/dbraw/zinc/06/54/62/371065462.db2.gz SCRYMNNTOYHOQX-ZNMIVQPWSA-N 2 0 281.444 1.374 10 0 CDAERP C[C@H]([NH2+]CCCN1CCCC1=O)[C@@H]1CCCC[NH2+]1 ZINC000422756333 245219908 /nfs/dbraw/zinc/21/99/08/245219908.db2.gz CDTHGXMJOZLKPH-STQMWFEESA-N 2 0 253.390 1.119 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCCC1(C[NH3+])CC1 ZINC000652137338 412787899 /nfs/dbraw/zinc/78/78/99/412787899.db2.gz HRUAPCSMKUYFBB-KBPBESRZSA-N 2 0 296.459 1.535 10 0 CDAERP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000377583722 371591444 /nfs/dbraw/zinc/59/14/44/371591444.db2.gz HIHRZRJMNBKTSQ-BTFYYFJDSA-N 2 0 291.439 1.509 10 0 CDAERP C[C@@H]([NH2+][C@@H](CO)Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000582474280 372318183 /nfs/dbraw/zinc/31/81/83/372318183.db2.gz JCFWNAVISIBIEK-FVQBIDKESA-N 2 0 262.397 1.568 10 0 CDAERP Fc1ccc([C@H]([NH2+]CC2CC[NH2+]CC2)c2cnn[nH]2)cc1 ZINC000580827690 372706580 /nfs/dbraw/zinc/70/65/80/372706580.db2.gz DYTCRAOIORXATK-HNNXBMFYSA-N 2 0 289.358 1.622 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3nc[nH]c3C2)[C@@H](C)C1 ZINC000353633906 372899462 /nfs/dbraw/zinc/89/94/62/372899462.db2.gz XZCAOGCGIXCAJJ-AVGNSLFASA-N 2 0 262.401 1.587 10 0 CDAERP COCCN1CC[C@@H]([NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000380753890 372881965 /nfs/dbraw/zinc/88/19/65/372881965.db2.gz BSJVASPLDFRYDQ-HUUCEWRRSA-N 2 0 269.433 1.027 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000333444304 205324772 /nfs/dbraw/zinc/32/47/72/205324772.db2.gz WNYIYTLQVDIDED-KFWWJZLASA-N 2 0 296.459 1.486 10 0 CDAERP CCOC(=O)CC[C@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000395104898 373082418 /nfs/dbraw/zinc/08/24/18/373082418.db2.gz BUQUFUYPYNRVEG-DKUMPPAJSA-N 2 0 298.427 1.296 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](CO)C1CCCCC1 ZINC000395317118 373083847 /nfs/dbraw/zinc/08/38/47/373083847.db2.gz JQEUZEVPSZPEAJ-KBPBESRZSA-N 2 0 258.406 1.271 10 0 CDAERP CC(C)[C@H](C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)[C@@H](C)[NH3+] ZINC000581879135 373295076 /nfs/dbraw/zinc/29/50/76/373295076.db2.gz NQMPPAPKUDNYBX-TUVASFSCSA-N 2 0 281.444 1.549 10 0 CDAERP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000423405427 245791393 /nfs/dbraw/zinc/79/13/93/245791393.db2.gz TXZBAVTWRDTWQE-SDADXPQNSA-N 2 0 261.413 1.533 10 0 CDAERP C[N@H+](Cc1ccccc1)C1(CN[C@H]2CC[NH2+]C2)CCC1 ZINC000386888768 373449094 /nfs/dbraw/zinc/44/90/94/373449094.db2.gz NGTLYTVUXWMPFF-INIZCTEOSA-N 2 0 273.424 1.993 10 0 CDAERP Cc1ncc(CNc2cc(N3CC[NH+](C)CC3)cc[nH+]2)cn1 ZINC000630960104 373548275 /nfs/dbraw/zinc/54/82/75/373548275.db2.gz CMVOFGASSQACBL-UHFFFAOYSA-N 2 0 298.394 1.544 10 0 CDAERP COCC[NH2+]C1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC000584414345 373729301 /nfs/dbraw/zinc/72/93/01/373729301.db2.gz QRFJMORAZIRBNI-ZDUSSCGKSA-N 2 0 256.390 1.113 10 0 CDAERP C[C@H](CNC(=O)NCC[N@@H+]1CCCC[C@H]1C)[NH+](C)C1CC1 ZINC000075960921 374205280 /nfs/dbraw/zinc/20/52/80/374205280.db2.gz MRSBOZIKKMGDRG-ZIAGYGMSSA-N 2 0 296.459 1.643 10 0 CDAERP C[N@H+](CCCNC1CC[NH2+]CC1)C1CCCCC1 ZINC000038041571 374611988 /nfs/dbraw/zinc/61/19/88/374611988.db2.gz LATLEKSXMJOCOA-UHFFFAOYSA-N 2 0 253.434 1.983 10 0 CDAERP Cn1cc(C[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)cn1 ZINC000123824308 374727851 /nfs/dbraw/zinc/72/78/51/374727851.db2.gz SUYKPDUUXRZLLI-ZDUSSCGKSA-N 2 0 273.384 1.608 10 0 CDAERP COC[C@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000126577642 375008749 /nfs/dbraw/zinc/00/87/49/375008749.db2.gz XDRBJPSKACFVIB-HZPDHXFCSA-N 2 0 284.444 1.582 10 0 CDAERP C[C@@H]1C[N@H+](C)CC[C@@]12C[NH+]=C(N)N2Cc1ccccc1 ZINC000306935268 375805059 /nfs/dbraw/zinc/80/50/59/375805059.db2.gz GZKIFEOCAJBBOP-CZUORRHYSA-N 2 0 272.396 1.527 10 0 CDAERP c1ccc(C[N@@H+]2CC[C@@H]3CN([C@@H]4CC[NH2+]C4)C[C@H]3C2)cc1 ZINC000307303213 375830081 /nfs/dbraw/zinc/83/00/81/375830081.db2.gz FRRILWLMVNOTEQ-KZNAEPCWSA-N 2 0 285.435 1.802 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)CCCC[NH+](C)C)CC[N@@H+]1C ZINC000631407244 376211131 /nfs/dbraw/zinc/21/11/31/376211131.db2.gz XYKRAEYXRBZHNH-UONOGXRCSA-N 2 0 269.433 1.517 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000417388094 376303079 /nfs/dbraw/zinc/30/30/79/376303079.db2.gz ICNJTTOSRLTFGL-NEPJUHHUSA-N 2 0 270.421 1.143 10 0 CDAERP CC[C@H](C)[N@H+](C)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000246202082 376560329 /nfs/dbraw/zinc/56/03/29/376560329.db2.gz MALSHGRLVUVCJP-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP CCN(CC(F)(F)F)C(=O)CN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631828397 376663309 /nfs/dbraw/zinc/66/33/09/376663309.db2.gz OCFWTQMAIAISIY-MNOVXSKESA-N 2 0 295.349 1.314 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000246621014 376958312 /nfs/dbraw/zinc/95/83/12/376958312.db2.gz MTQGXMPXFQMBMU-ZIAGYGMSSA-N 2 0 282.432 1.206 10 0 CDAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000247331498 377094371 /nfs/dbraw/zinc/09/43/71/377094371.db2.gz MZRIQMJBPBDLCB-GOEBONIOSA-N 2 0 295.471 1.952 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CCCC23CC[NH+](C)CC3)CC[N@@H+]1C ZINC000632254459 377188471 /nfs/dbraw/zinc/18/84/71/377188471.db2.gz QTARYJZFLCUGJU-LSDHHAIUSA-N 2 0 293.455 1.804 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417449548 377224305 /nfs/dbraw/zinc/22/43/05/377224305.db2.gz YBPHUVOCWBNCKC-JKXDFHQYSA-N 2 0 296.459 1.641 10 0 CDAERP O[C@@H](CC1CCCC1)C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000249097127 377396538 /nfs/dbraw/zinc/39/65/38/377396538.db2.gz OVTVKPDVVFOMHE-IRXDYDNUSA-N 2 0 296.455 1.582 10 0 CDAERP C[C@H]1CCCN(C(=O)c2ccc(C[NH3+])cc2)[C@H]1C[NH3+] ZINC000131911824 377720543 /nfs/dbraw/zinc/72/05/43/377720543.db2.gz MCTPFQCSNZVCDL-FZMZJTMJSA-N 2 0 261.369 1.345 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCC1=CC[NH2+]CC1 ZINC000572134831 377736993 /nfs/dbraw/zinc/73/69/93/377736993.db2.gz CMJQFYGMPHOMSY-ZIAGYGMSSA-N 2 0 294.443 1.468 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000417538154 377927976 /nfs/dbraw/zinc/92/79/76/377927976.db2.gz TVQLNLCZUMDIFA-BARDWOONSA-N 2 0 296.459 1.676 10 0 CDAERP C(CN1CC[N@@H+]2CCCC[C@H]2C1)C1CC[NH2+]CC1 ZINC000094439635 378145380 /nfs/dbraw/zinc/14/53/80/378145380.db2.gz VETXVSJKAACGJW-HNNXBMFYSA-N 2 0 251.418 1.546 10 0 CDAERP Cc1ncc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)s1 ZINC000069901472 379101587 /nfs/dbraw/zinc/10/15/87/379101587.db2.gz VULBFAVILJKSNK-LBPRGKRZSA-N 2 0 297.468 1.976 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CCO[C@H](C)C1 ZINC000657572827 412905328 /nfs/dbraw/zinc/90/53/28/412905328.db2.gz HJSFBUVKIXQVRF-ZNMIVQPWSA-N 2 0 271.449 1.416 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000246018164 379377192 /nfs/dbraw/zinc/37/71/92/379377192.db2.gz NJEXMRNRITXOLS-QLFBSQMISA-N 2 0 296.459 1.452 10 0 CDAERP CCN(C(=O)N[C@@H](C)CC[NH+](C)C)[C@H]1CC[N@H+](C)C1 ZINC000663850288 412912105 /nfs/dbraw/zinc/91/21/05/412912105.db2.gz REKLIDLMANSEHV-STQMWFEESA-N 2 0 270.421 1.062 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000417011944 284800596 /nfs/dbraw/zinc/80/05/96/284800596.db2.gz UMQVPPZDFYBRLB-MGPQQGTHSA-N 2 0 284.448 1.343 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC[N@@H+]1C ZINC000655917957 412920982 /nfs/dbraw/zinc/92/09/82/412920982.db2.gz CBDTZZHRXYCRGX-BBBLOLIVSA-N 2 0 296.337 1.000 10 0 CDAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cccnc3)cc2)C1 ZINC000657596090 412923900 /nfs/dbraw/zinc/92/39/00/412923900.db2.gz UNPBWVFFIKQWAC-GOSISDBHSA-N 2 0 297.402 1.938 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000662378659 412941902 /nfs/dbraw/zinc/94/19/02/412941902.db2.gz FLRJJQBTASROHV-QWHCGFSZSA-N 2 0 299.440 1.219 10 0 CDAERP CC[NH2+]Cc1cccc(NC(=O)[C@@H]([NH3+])COC(C)C)c1 ZINC000662399616 412963008 /nfs/dbraw/zinc/96/30/08/412963008.db2.gz XRAOYZVCBWLHLQ-AWEZNQCLSA-N 2 0 279.384 1.487 10 0 CDAERP OC(C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)(C1CC1)C1CC1 ZINC000657699918 412985968 /nfs/dbraw/zinc/98/59/68/412985968.db2.gz OIEHCYICTFJYID-UHFFFAOYSA-N 2 0 298.390 1.908 10 0 CDAERP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCC[NH3+])C1 ZINC000417245145 296386044 /nfs/dbraw/zinc/38/60/44/296386044.db2.gz YLNXSFWMQXMUJK-GFCCVEGCSA-N 2 0 270.421 1.145 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000505719326 254092772 /nfs/dbraw/zinc/09/27/72/254092772.db2.gz IWSZLOJKTFPLBI-HNNXBMFYSA-N 2 0 281.444 1.661 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089450910 285185899 /nfs/dbraw/zinc/18/58/99/285185899.db2.gz QELNILCBEOBCLP-TZMCWYRMSA-N 2 0 267.417 1.304 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001663336280 1172674183 /nfs/dbraw/zinc/67/41/83/1172674183.db2.gz YZIFLQOECGGEMV-OLZOCXBDSA-N 2 0 255.406 1.032 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(C(=O)C2CCC([NH3+])CC2)C1 ZINC000062972632 413042791 /nfs/dbraw/zinc/04/27/91/413042791.db2.gz HPJAZTXMGUCUHU-RUXDESIVSA-N 2 0 267.417 1.447 10 0 CDAERP C[C@H](CC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)[C@H]1CCC[NH2+]C1 ZINC000647060712 390383542 /nfs/dbraw/zinc/38/35/42/390383542.db2.gz QHRWXLGKTIDSQA-QXSJWSMHSA-N 2 0 293.455 1.470 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000647086276 390396083 /nfs/dbraw/zinc/39/60/83/390396083.db2.gz DMYSHPMRLKNAEN-VNHYZAJKSA-N 2 0 267.417 1.304 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)[C@]2(O)CCOC2)[C@@H]2CCC[C@@H]21 ZINC000647341975 390943637 /nfs/dbraw/zinc/94/36/37/390943637.db2.gz FYAQBTHPYSCYAN-JKQORVJESA-N 2 0 296.455 1.626 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N[C@H]2CC[NH2+]C23CCCC3)o1 ZINC000648205479 390951554 /nfs/dbraw/zinc/95/15/54/390951554.db2.gz GGBWNEXJLREFIP-LBPRGKRZSA-N 2 0 263.341 1.143 10 0 CDAERP C[C@H]1C[NH2+]C[C@@H](NCC[NH2+]C2CCCCCC2)C1 ZINC000647546551 390989732 /nfs/dbraw/zinc/98/97/32/390989732.db2.gz PDLGDRXIGZUNBY-HIFRSBDPSA-N 2 0 253.434 1.886 10 0 CDAERP CC(C)C[C@H]([NH3+])C[NH2+][C@H](C)[C@@H](C)N1CCOCC1 ZINC000415080929 390997330 /nfs/dbraw/zinc/99/73/30/390997330.db2.gz MJYXJOVJDXICIY-MCIONIFRSA-N 2 0 257.422 1.059 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)NCC(F)(F)CN)CC1 ZINC000417744252 391010137 /nfs/dbraw/zinc/01/01/37/391010137.db2.gz DWTWWYVQKDAHIS-UHFFFAOYSA-N 2 0 292.374 1.002 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000417753992 391032390 /nfs/dbraw/zinc/03/23/90/391032390.db2.gz UZWPQXBMIMVPLI-VXGBXAGGSA-N 2 0 270.421 1.143 10 0 CDAERP C[C@@H](C[N@@H+]1CC[C@@]2(C1)CCCN(C)C2)CS(C)(=O)=O ZINC000339433857 391300648 /nfs/dbraw/zinc/30/06/48/391300648.db2.gz QKQFXOITBZKOFZ-KBPBESRZSA-N 2 0 288.457 1.085 10 0 CDAERP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NCCC[NH3+] ZINC000418315870 391303578 /nfs/dbraw/zinc/30/35/78/391303578.db2.gz VVTRABPCRRBSNP-UHFFFAOYSA-N 2 0 296.390 1.248 10 0 CDAERP C[C@@H](CNC(=O)N1CC[C@H]([NH3+])[C@@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000417016615 391339577 /nfs/dbraw/zinc/33/95/77/391339577.db2.gz ODCNOZVLHPEWKL-RFGFWPKPSA-N 2 0 282.432 1.238 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000417025685 391340426 /nfs/dbraw/zinc/34/04/26/391340426.db2.gz NECGYQZRLCAMEV-XJFOESAGSA-N 2 0 284.448 1.389 10 0 CDAERP CC1=CC[N@H+](CCNC(=O)N(C)CC[C@H]([NH3+])C(C)C)CC1 ZINC000418033921 391351897 /nfs/dbraw/zinc/35/18/97/391351897.db2.gz WOZJWZCZMJSBLV-HNNXBMFYSA-N 2 0 296.459 1.653 10 0 CDAERP Cc1cnn(CC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647977772 391375481 /nfs/dbraw/zinc/37/54/81/391375481.db2.gz HLWFOJRSSLALIS-JKSUJKDBSA-N 2 0 276.428 1.903 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000364782410 391402936 /nfs/dbraw/zinc/40/29/36/391402936.db2.gz HVNOOFXFPHMHOQ-GHMZBOCLSA-N 2 0 261.369 1.408 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)C[NH2+]C)[C@@H](C)C1 ZINC000418370420 391424800 /nfs/dbraw/zinc/42/48/00/391424800.db2.gz WBOYOIGSERCXJK-RDBSUJKOSA-N 2 0 284.448 1.214 10 0 CDAERP C[NH2+][C@H](CC(C)(C)C)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000417848963 391518057 /nfs/dbraw/zinc/51/80/57/391518057.db2.gz WCEVHYVIQUJFNI-LALPHHSUSA-N 2 0 269.433 1.454 10 0 CDAERP O=C(NCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000647789770 391538045 /nfs/dbraw/zinc/53/80/45/391538045.db2.gz LFUDSOPSLDSGPL-BZUAXINKSA-N 2 0 287.407 1.394 10 0 CDAERP CC1=CC[NH+](CCN[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000358216701 391544103 /nfs/dbraw/zinc/54/41/03/391544103.db2.gz ADXLYJMZEUGCRR-HUUCEWRRSA-N 2 0 251.418 1.711 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000417881347 391544605 /nfs/dbraw/zinc/54/46/05/391544605.db2.gz TYSFAYYFMRERBS-GUIRCDHDSA-N 2 0 292.427 1.005 10 0 CDAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)CCC(C)(C)[NH3+] ZINC000649302890 391951385 /nfs/dbraw/zinc/95/13/85/391951385.db2.gz BXBDXKYIWSFONI-OAHLLOKOSA-N 2 0 291.439 1.793 10 0 CDAERP C[C@@H]1CC(C)(C)C[N@@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000334856416 391965974 /nfs/dbraw/zinc/96/59/74/391965974.db2.gz WVXJABAYXPJDKF-OLZOCXBDSA-N 2 0 267.417 1.304 10 0 CDAERP CC[C@H]1C[N@H+](CC)CCN1C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000457718901 392210225 /nfs/dbraw/zinc/21/02/25/392210225.db2.gz XFKUXWMRASWQFI-CABCVRRESA-N 2 0 298.475 1.842 10 0 CDAERP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)CC[C@H]1CCCC[NH+]1C ZINC000422143667 392232707 /nfs/dbraw/zinc/23/27/07/392232707.db2.gz YVJSIWHVYDWZSG-CABCVRRESA-N 2 0 281.444 1.804 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1c[nH+]ccc1-n1ccnc1 ZINC000261670426 131160771 /nfs/dbraw/zinc/16/07/71/131160771.db2.gz FWTYSDZCSOSKEF-VXGBXAGGSA-N 2 0 285.351 1.581 10 0 CDAERP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@H]1CCCCN1CCO ZINC000423143944 392383598 /nfs/dbraw/zinc/38/35/98/392383598.db2.gz FQEVZLHGLSOMFA-RBSFLKMASA-N 2 0 269.433 1.083 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)c1ccccc1OC ZINC000629528540 392385086 /nfs/dbraw/zinc/38/50/86/392385086.db2.gz BNGKJZOJFSUNEW-GFCCVEGCSA-N 2 0 252.358 1.582 10 0 CDAERP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000423141249 392379512 /nfs/dbraw/zinc/37/95/12/392379512.db2.gz OWKRVHIPCAAFNP-GHMZBOCLSA-N 2 0 250.390 1.514 10 0 CDAERP COc1cc([C@@H](C)[NH2+]CCCN2CC[NH2+]CC2)ccc1F ZINC000423186691 392427052 /nfs/dbraw/zinc/42/70/52/392427052.db2.gz WWBZGGXWDSUCEF-CYBMUJFWSA-N 2 0 295.402 1.780 10 0 CDAERP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000574049980 392502502 /nfs/dbraw/zinc/50/25/02/392502502.db2.gz UOXKIBZSOCQOGM-QSTLKDOJSA-N 2 0 279.428 1.624 10 0 CDAERP C[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1C[C@H]1C ZINC000423394981 392574549 /nfs/dbraw/zinc/57/45/49/392574549.db2.gz QQFXMAOCYQVFLB-WYUUTHIRSA-N 2 0 279.350 1.457 10 0 CDAERP C([NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1)[C@H]1C[NH2+]CCCO1 ZINC000423492646 392580298 /nfs/dbraw/zinc/58/02/98/392580298.db2.gz OADKCLSYULPBDY-KLHDSHLOSA-N 2 0 282.428 1.550 10 0 CDAERP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)Cc2ccoc2)CC1 ZINC000449079792 392631004 /nfs/dbraw/zinc/63/10/04/392631004.db2.gz QAJKWSOWPBTENE-CABCVRRESA-N 2 0 279.428 1.826 10 0 CDAERP C[C@H]1CC[N@H+](CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000649084373 392730478 /nfs/dbraw/zinc/73/04/78/392730478.db2.gz VVFKIJZVZZQWCJ-IHRRRGAJSA-N 2 0 267.417 1.175 10 0 CDAERP Cc1cc(CNC(=O)NC[C@@H]2CCC[N@H+]2C)cc(C)n1 ZINC000517115274 392836547 /nfs/dbraw/zinc/83/65/47/392836547.db2.gz SAQMCQAJXOHHGM-AWEZNQCLSA-N 2 0 276.384 1.592 10 0 CDAERP Cc1csc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)n1 ZINC000130516757 392911470 /nfs/dbraw/zinc/91/14/70/392911470.db2.gz OUXZBZLKIFCDBC-CYBMUJFWSA-N 2 0 297.468 1.976 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000494874982 393118741 /nfs/dbraw/zinc/11/87/41/393118741.db2.gz AUSSSVOBTAMHOJ-KBPBESRZSA-N 2 0 281.444 1.898 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CCC(=O)NC1(C)C)C[NH+]1CCCC1 ZINC000494926141 393132934 /nfs/dbraw/zinc/13/29/34/393132934.db2.gz WLJVRRVCJJJFAU-CHWSQXEVSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000494957294 393138905 /nfs/dbraw/zinc/13/89/05/393138905.db2.gz JTYUURGFQIWLLQ-GBJTYRQASA-N 2 0 253.434 1.647 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCC[NH2+]C1)[N@@H+]1CCCC[C@@H]1C ZINC000522059942 393156575 /nfs/dbraw/zinc/15/65/75/393156575.db2.gz DKWNSZCXXJWFOA-MELADBBJSA-N 2 0 267.417 1.365 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@@H](O)CC(F)(F)F)C1 ZINC000656154327 413062580 /nfs/dbraw/zinc/06/25/80/413062580.db2.gz VMFPOIMRRFRQNG-AEJSXWLSSA-N 2 0 254.296 1.230 10 0 CDAERP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1COC2(CCC2)C1 ZINC000657878656 413067957 /nfs/dbraw/zinc/06/79/57/413067957.db2.gz HNJBUVNHYVJBJE-CABCVRRESA-N 2 0 282.428 1.525 10 0 CDAERP Cc1cccnc1C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000180477907 140016653 /nfs/dbraw/zinc/01/66/53/140016653.db2.gz YOKHJHHKNLUOLP-HNNXBMFYSA-N 2 0 291.439 1.915 10 0 CDAERP C[C@@]1(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)CCCC[NH2+]1 ZINC000181010690 140018833 /nfs/dbraw/zinc/01/88/33/140018833.db2.gz NXRKTKVTEFZZKF-WBVHZDCISA-N 2 0 293.455 1.853 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)[C@H](C)[C@H](C)[NH3+])CC1 ZINC000192101153 140139716 /nfs/dbraw/zinc/13/97/16/140139716.db2.gz MTLOKGKBVHOPKE-NEPJUHHUSA-N 2 0 255.406 1.208 10 0 CDAERP CN(C(=O)C[C@H]([NH3+])c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237211479 140251706 /nfs/dbraw/zinc/25/17/06/140251706.db2.gz FQGIPPMDBRAAOA-QXULXFAOSA-N 2 0 287.407 1.818 10 0 CDAERP C[C@H](C(=O)N1CCC([NH+](C)C)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000245203148 140264306 /nfs/dbraw/zinc/26/43/06/140264306.db2.gz ZVHCBIWXNWXIBK-MGPQQGTHSA-N 2 0 281.444 1.800 10 0 CDAERP CCn1cnnc1[C@H]1CCC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000245622998 140272331 /nfs/dbraw/zinc/27/23/31/140272331.db2.gz OFSFBNFKCPROLG-LSDHHAIUSA-N 2 0 291.443 1.962 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC000245708202 140275191 /nfs/dbraw/zinc/27/51/91/140275191.db2.gz YLAWQBHAMUCCBU-HOCLYGCPSA-N 2 0 293.455 1.851 10 0 CDAERP O=C(NCCN1CCSCC1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000261650791 140369297 /nfs/dbraw/zinc/36/92/97/140369297.db2.gz REEPBZZVEFWAME-MJBXVCDLSA-N 2 0 297.468 1.072 10 0 CDAERP C[C@H]1CN(C(=O)NCC2([NH3+])CCCCCC2)C[C@H]1[NH3+] ZINC000334937115 140593891 /nfs/dbraw/zinc/59/38/91/140593891.db2.gz UVABSUNKJAIBMU-NWDGAFQWSA-N 2 0 268.405 1.027 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H](C)[NH+](CC)CC ZINC000121977971 147389602 /nfs/dbraw/zinc/38/96/02/147389602.db2.gz HVTSALXZEVYOJF-ZIAGYGMSSA-N 2 0 286.464 1.746 10 0 CDAERP COCC1(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000656200327 413097730 /nfs/dbraw/zinc/09/77/30/413097730.db2.gz LSVDVVILLKQKBD-UKRRQHHQSA-N 2 0 262.397 1.961 10 0 CDAERP COc1c(C)cccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000656200277 413097766 /nfs/dbraw/zinc/09/77/66/413097766.db2.gz KTIWNOBOESJYSL-BPLDGKMQSA-N 2 0 278.396 1.846 10 0 CDAERP C[C@@H](C[NH2+][C@H]1CC[NH2+]CC[C@H]1C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656200432 413099256 /nfs/dbraw/zinc/09/92/56/413099256.db2.gz PIBZVYRULHSJQC-LEOABGAYSA-N 2 0 283.460 1.462 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000662592745 413159983 /nfs/dbraw/zinc/15/99/83/413159983.db2.gz JZTYAOVQEZFZBZ-RDBSUJKOSA-N 2 0 281.444 1.741 10 0 CDAERP CO[C@H](C)[C@@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658067410 413167037 /nfs/dbraw/zinc/16/70/37/413167037.db2.gz NJURKYALNTYNTG-ZIAGYGMSSA-N 2 0 284.444 1.890 10 0 CDAERP CC[NH+](CC)CC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662597280 413168689 /nfs/dbraw/zinc/16/86/89/413168689.db2.gz XOAPUANSBFENIJ-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)NCCC[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000417871516 397645634 /nfs/dbraw/zinc/64/56/34/397645634.db2.gz JYDWFMSXPKEHRE-HIFRSBDPSA-N 2 0 290.411 1.297 10 0 CDAERP Cc1cnn(CC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000388612118 397790748 /nfs/dbraw/zinc/79/07/48/397790748.db2.gz CQFWGJUKRGSVGN-HUUCEWRRSA-N 2 0 262.401 1.656 10 0 CDAERP Cc1ccc(CN2CCN(CC[NH+](C)C)C(=O)C2)cc1 ZINC000649688476 397898518 /nfs/dbraw/zinc/89/85/18/397898518.db2.gz DQDLTIJFOGZILF-UHFFFAOYSA-N 2 0 275.396 1.201 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])C[C@H]1C ZINC000415018338 285880329 /nfs/dbraw/zinc/88/03/29/285880329.db2.gz QTCBRZHSWXQIIQ-RXGFPQBGSA-N 2 0 256.390 1.680 10 0 CDAERP COC1([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)CCOCC1 ZINC000453073992 292145478 /nfs/dbraw/zinc/14/54/78/292145478.db2.gz OAVQVKMNYVIZDU-AWEZNQCLSA-N 2 0 272.433 1.890 10 0 CDAERP CCC[NH+]1CCC([NH2+][C@H]2CCO[C@]3(CCOC3)C2)CC1 ZINC000094370355 147086845 /nfs/dbraw/zinc/08/68/45/147086845.db2.gz PYJQVZILSJFERO-JKSUJKDBSA-N 2 0 282.428 1.789 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000105148561 147215544 /nfs/dbraw/zinc/21/55/44/147215544.db2.gz OOWVWIMVBWDDNL-UONOGXRCSA-N 2 0 298.475 1.745 10 0 CDAERP CN(C(=O)[C@@H]1CCC[C@@H]([NH3+])C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000246543174 148762015 /nfs/dbraw/zinc/76/20/15/148762015.db2.gz KRDYOLGMLDLBCY-LSGALXMHSA-N 2 0 265.401 1.245 10 0 CDAERP C[C@]1(C[NH3+])CCN(C(=O)[C@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000262059703 149006653 /nfs/dbraw/zinc/00/66/53/149006653.db2.gz RPFLVTCJEGCDFT-GZBFAFLISA-N 2 0 267.417 1.481 10 0 CDAERP [NH3+]Cc1ccc(-c2noc(C[C@@H]3CCC[NH2+]3)n2)cc1 ZINC000262089314 149014217 /nfs/dbraw/zinc/01/42/17/149014217.db2.gz URCXSHGYDCSGQY-LBPRGKRZSA-N 2 0 258.325 1.490 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CC[NH+](C3CCC3)CC2)CC[NH2+]1 ZINC000262385884 149056592 /nfs/dbraw/zinc/05/65/92/149056592.db2.gz MCHJMKWAIRWTBI-STQMWFEESA-N 2 0 265.401 1.071 10 0 CDAERP C[C@H](C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)C1C[NH2+]C1 ZINC000262397302 149057246 /nfs/dbraw/zinc/05/72/46/149057246.db2.gz OZNHRKCXHDVHKV-WFASDCNBSA-N 2 0 279.428 1.223 10 0 CDAERP C[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)C1C[NH2+]C1 ZINC000262397293 149057785 /nfs/dbraw/zinc/05/77/85/149057785.db2.gz OZNHRKCXHDVHKV-DOMZBBRYSA-N 2 0 279.428 1.223 10 0 CDAERP C[C@H](CCNC(=O)c1cc(C2CC[NH2+]CC2)no1)[NH+](C)C ZINC000662634100 413230550 /nfs/dbraw/zinc/23/05/50/413230550.db2.gz QHXRXZNAXSWILH-LLVKDONJSA-N 2 0 294.399 1.212 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@@H+]1C ZINC000262653673 149090440 /nfs/dbraw/zinc/09/04/40/149090440.db2.gz BJEHYQFXWDOXGE-MOTUXRJWSA-N 2 0 293.455 1.848 10 0 CDAERP C[NH+](C)C1CCC(NC(=O)N2CC[NH+]3CCC2CC3)CC1 ZINC000335001550 150170814 /nfs/dbraw/zinc/17/08/14/150170814.db2.gz FURUWQNOQIEEML-UHFFFAOYSA-N 2 0 294.443 1.349 10 0 CDAERP C[NH+](C)Cc1ccccc1C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000335044241 150221727 /nfs/dbraw/zinc/22/17/27/150221727.db2.gz UXEOGEVPPUEGKP-HOCLYGCPSA-N 2 0 287.407 1.572 10 0 CDAERP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000367602979 286198781 /nfs/dbraw/zinc/19/87/81/286198781.db2.gz XKOYGYMSKCYLED-JSGCOSHPSA-N 2 0 280.416 1.734 10 0 CDAERP C[C@H]1CN(C)C[C@H]1[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000343548831 152220647 /nfs/dbraw/zinc/22/06/47/152220647.db2.gz BDBMWFJEGWJHOQ-WMLDXEAASA-N 2 0 291.439 1.667 10 0 CDAERP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCCC[NH+]1CCOCC1 ZINC000347033762 153386775 /nfs/dbraw/zinc/38/67/75/153386775.db2.gz FSGFYYSMHGTRIC-AWEZNQCLSA-N 2 0 299.459 1.382 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)CC1([NH3+])CC1)c1ccsc1 ZINC000662679464 413298671 /nfs/dbraw/zinc/29/86/71/413298671.db2.gz OMGBYLNAKJTHSZ-NSHDSACASA-N 2 0 267.398 1.348 10 0 CDAERP CC(C)[N@H+](C)CC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000662688148 413314684 /nfs/dbraw/zinc/31/46/84/413314684.db2.gz NDUOPLLBGXGCGQ-OAHLLOKOSA-N 2 0 291.395 1.626 10 0 CDAERP COCCN1CC[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)C1 ZINC000353537264 155925940 /nfs/dbraw/zinc/92/59/40/155925940.db2.gz ZURFDXWTJYVPQG-SHARSMKWSA-N 2 0 269.433 1.170 10 0 CDAERP CCC[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C)[C@H]3CCC[C@H]32)C1 ZINC000658285746 413334796 /nfs/dbraw/zinc/33/47/96/413334796.db2.gz NMBZDSLLVBLFRL-JONQDZQNSA-N 2 0 265.445 1.933 10 0 CDAERP CC1CC[NH+](C[C@H]2CCCN(C(=O)CC3([NH3+])CC3)C2)CC1 ZINC000662697733 413336277 /nfs/dbraw/zinc/33/62/77/413336277.db2.gz AUCRTTBELKCPAH-OAHLLOKOSA-N 2 0 293.455 1.838 10 0 CDAERP CCN(C)C[C@@H](O)C[N@@H+]1CCc2ccccc2[C@H](C)C1 ZINC000404749166 413369210 /nfs/dbraw/zinc/36/92/10/413369210.db2.gz UXIQNRYDDACWTO-GDBMZVCRSA-N 2 0 276.424 1.961 10 0 CDAERP O=C(N1CC[C@@H]([NH+]2CCCCC2)C1)C1([NH2+]C2CC2)CCC1 ZINC000662718949 413374958 /nfs/dbraw/zinc/37/49/58/413374958.db2.gz VOYFWCBZMNPFOG-OAHLLOKOSA-N 2 0 291.439 1.748 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000662728503 413391609 /nfs/dbraw/zinc/39/16/09/413391609.db2.gz AGSZDJUHNWLFHS-VGVBULKLSA-N 2 0 281.444 1.630 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000362893340 159263636 /nfs/dbraw/zinc/26/36/36/159263636.db2.gz NSHASQYRGONVRW-MRXNPFEDSA-N 2 0 295.471 1.909 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000363247833 159314091 /nfs/dbraw/zinc/31/40/91/159314091.db2.gz VUHVLSGHSLBUBG-CABCVRRESA-N 2 0 296.459 1.596 10 0 CDAERP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCC[C@@H]([NH3+])C(C)C)C1(C)C ZINC000662731068 413397878 /nfs/dbraw/zinc/39/78/78/413397878.db2.gz XJGDEERMWDZLFK-LALPHHSUSA-N 2 0 285.432 1.009 10 0 CDAERP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000365189457 159377725 /nfs/dbraw/zinc/37/77/25/159377725.db2.gz BWANKEHFBMWENO-IHRRRGAJSA-N 2 0 267.417 1.447 10 0 CDAERP CC[C@@H](C)[C@H]([NH3+])C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000037770602 286805162 /nfs/dbraw/zinc/80/51/62/286805162.db2.gz JFGRSKYAZCTPRZ-YPMHNXCESA-N 2 0 269.433 1.739 10 0 CDAERP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]([NH3+])COC(C)C ZINC000662747062 413421075 /nfs/dbraw/zinc/42/10/75/413421075.db2.gz QVXUISIIWMCQEB-AWEZNQCLSA-N 2 0 293.411 1.747 10 0 CDAERP C[C@@H](C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[C@@H]([NH3+])c1ccccc1 ZINC000662748311 413425554 /nfs/dbraw/zinc/42/55/54/413425554.db2.gz PJLGLSKWDCEMOT-FMKGYKFTSA-N 2 0 279.359 1.220 10 0 CDAERP C[C@H]1C[C@H](NC(=O)c2cc(C(C)(C)[NH3+])no2)C[N@@H+]1C1CC1 ZINC000662754271 413430063 /nfs/dbraw/zinc/43/00/63/413430063.db2.gz IXGFDCZSEKYVDM-UWVGGRQHSA-N 2 0 292.383 1.223 10 0 CDAERP O=C(c1cccc2c1CC[NH2+]C2)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000662755483 413437963 /nfs/dbraw/zinc/43/79/63/413437963.db2.gz BFOULOLKYJIQHG-AWEZNQCLSA-N 2 0 285.391 1.299 10 0 CDAERP CCn1cc(C[NH2+]CCC[NH2+]CCO)c2ccccc21 ZINC000020968475 171282897 /nfs/dbraw/zinc/28/28/97/171282897.db2.gz ATMMLXMHHZVZCR-UHFFFAOYSA-N 2 0 275.396 1.723 10 0 CDAERP CN([C@H](C[NH3+])c1cccs1)C1CC[NH+](C)CC1 ZINC000022168477 171366840 /nfs/dbraw/zinc/36/68/40/171366840.db2.gz QTLOBJGQVPDCLE-GFCCVEGCSA-N 2 0 253.415 1.774 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000653214281 412141176 /nfs/dbraw/zinc/14/11/76/412141176.db2.gz NXMFLOOIQXQJRG-HNNXBMFYSA-N 2 0 287.407 1.412 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000653213955 412142405 /nfs/dbraw/zinc/14/24/05/412142405.db2.gz AIQIQVLUPKQNJI-SFHVURJKSA-N 2 0 297.402 1.896 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000653214835 412144063 /nfs/dbraw/zinc/14/40/63/412144063.db2.gz DAAJBSRLQRIFCZ-OAHLLOKOSA-N 2 0 289.423 1.800 10 0 CDAERP C[C@H](CCCC[NH3+])NC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662779655 413485377 /nfs/dbraw/zinc/48/53/77/413485377.db2.gz LJMLIQDBKZKDFE-LLVKDONJSA-N 2 0 253.390 1.295 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000654660133 413546984 /nfs/dbraw/zinc/54/69/84/413546984.db2.gz RNOUNSLYCSNREV-SOUVJXGZSA-N 2 0 296.459 1.452 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C2CCC([NH3+])CC2)C1 ZINC000662845691 413597455 /nfs/dbraw/zinc/59/74/55/413597455.db2.gz JUWYJNZDQUPBFA-HSBZDZAISA-N 2 0 281.444 1.741 10 0 CDAERP C[C@@H]1C[NH2+]C[C@@H](Nc2ccc([C@H]3C[NH2+]CCO3)cc2)C1 ZINC000656793896 413661531 /nfs/dbraw/zinc/66/15/31/413661531.db2.gz WHXHKNKANGHVQA-VBNZEHGJSA-N 2 0 275.396 1.757 10 0 CDAERP C[C@@H]1C[NH2+]C[C@@H](Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)C1 ZINC000656793895 413662157 /nfs/dbraw/zinc/66/21/57/413662157.db2.gz WHXHKNKANGHVQA-RCBQFDQVSA-N 2 0 275.396 1.757 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000659293244 413684647 /nfs/dbraw/zinc/68/46/47/413684647.db2.gz UMZNMJMSXUFOMW-RISCZKNCSA-N 2 0 279.384 1.075 10 0 CDAERP CCO[C@@H]1C[N@H+](Cc2ccc(C)s2)C[C@H]1C[NH3+] ZINC000405864815 413703158 /nfs/dbraw/zinc/70/31/58/413703158.db2.gz PAMTYSCUIGQSAW-DGCLKSJQSA-N 2 0 254.399 1.852 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000659322257 413714363 /nfs/dbraw/zinc/71/43/63/413714363.db2.gz LTQYSNBTOMRUBL-GJZGRUSLSA-N 2 0 293.411 1.335 10 0 CDAERP Cc1cc(CNC(=O)[C@@H]([NH3+])COC(C)C)cc(C)n1 ZINC000659326345 413717700 /nfs/dbraw/zinc/71/77/00/413717700.db2.gz YWOZKSDGROAGAR-ZDUSSCGKSA-N 2 0 265.357 1.067 10 0 CDAERP CC(C)([NH3+])CCC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659364818 413749510 /nfs/dbraw/zinc/74/95/10/413749510.db2.gz BIRDJYYXAPCTDT-CQSZACIVSA-N 2 0 291.395 1.804 10 0 CDAERP CCC[NH+]1CCN(C(=O)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000036757127 172681385 /nfs/dbraw/zinc/68/13/85/172681385.db2.gz ZDQXFHHZCMTODE-CQSZACIVSA-N 2 0 267.417 1.320 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000659452146 413836797 /nfs/dbraw/zinc/83/67/97/413836797.db2.gz XZSBLQJODOVQQD-LSDHHAIUSA-N 2 0 298.475 1.779 10 0 CDAERP C[NH2+]C[C@H](C)NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000659472917 413861895 /nfs/dbraw/zinc/86/18/95/413861895.db2.gz RIQVKHPKPOQFCQ-HIFPTAJRSA-N 2 0 270.421 1.014 10 0 CDAERP CC[NH2+][C@H](C)CNC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659536944 413942376 /nfs/dbraw/zinc/94/23/76/413942376.db2.gz BBJQGQNAGWTVGM-HIFRSBDPSA-N 2 0 296.459 1.406 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H](NCC23CC(C2)C[NH2+]3)[C@H](C)C1 ZINC000665277740 414014881 /nfs/dbraw/zinc/01/48/81/414014881.db2.gz KKQZFTJRESDEKG-GYXIZQIFSA-N 2 0 295.471 1.465 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)NCCC[NH+](C)CC(C)C)C1 ZINC000661352707 414015221 /nfs/dbraw/zinc/01/52/21/414015221.db2.gz WTCOTXLEPGYASQ-HNNXBMFYSA-N 2 0 298.475 1.748 10 0 CDAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000665282944 414018366 /nfs/dbraw/zinc/01/83/66/414018366.db2.gz FDTRUNJXDWVPCM-IAQYHMDHSA-N 3 0 264.417 1.873 10 0 CDAERP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)[C@H]1CCC[NH2+]1 ZINC000665233476 413959931 /nfs/dbraw/zinc/95/99/31/413959931.db2.gz ISBNNFNIBGYXGE-WMLDXEAASA-N 3 0 295.471 1.608 10 0 CDAERP CO[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])[C@H]1CCOC1 ZINC000665235276 413962573 /nfs/dbraw/zinc/96/25/73/413962573.db2.gz SXAIPHIGUHEGCU-XJFOESAGSA-N 2 0 256.390 1.145 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC2([NH3+])CCCC2)[C@H](C)C1 ZINC000659572950 413985625 /nfs/dbraw/zinc/98/56/25/413985625.db2.gz JLDTZGYHYFTNCC-KGLIPLIRSA-N 2 0 296.459 1.630 10 0 CDAERP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000661410089 414067079 /nfs/dbraw/zinc/06/70/79/414067079.db2.gz QMMWAPBBZIVFKZ-KGLIPLIRSA-N 2 0 296.459 1.595 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC000655803175 414194640 /nfs/dbraw/zinc/19/46/40/414194640.db2.gz MJJOSOBMNQNDNE-NNXHMXCWSA-N 2 0 297.487 1.804 10 0 CDAERP C[C@@H](CN(C)C)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657465538 414361624 /nfs/dbraw/zinc/36/16/24/414361624.db2.gz RWIYABTYOLFQBB-LBPRGKRZSA-N 2 0 259.357 1.307 10 0 CDAERP CCN(C(=O)NC[C@@H](C)[NH+](CC)CC)[C@@H]1CC[N@H+](C)C1 ZINC000663626716 414378065 /nfs/dbraw/zinc/37/80/65/414378065.db2.gz YZCWYXGHQCUWLW-ZIAGYGMSSA-N 2 0 284.448 1.452 10 0 CDAERP C[C@H]1C[C@H](C[N@@H+]2CCc3c(cccc3C(N)=O)C2)CC[NH2+]1 ZINC000663512562 414317868 /nfs/dbraw/zinc/31/78/68/414317868.db2.gz GGWRMEPDIHAURL-QWHCGFSZSA-N 2 0 287.407 1.532 10 0 CDAERP CO[C@H](C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)C1CCC1 ZINC000662275826 414607143 /nfs/dbraw/zinc/60/71/43/414607143.db2.gz FBEGAABRJHLTDS-CABCVRRESA-N 2 0 252.402 1.877 10 0 CDAERP C[N@H+](CCc1nccs1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662279857 414610146 /nfs/dbraw/zinc/61/01/46/414610146.db2.gz MOEUDYVTCYIVSY-LLVKDONJSA-N 2 0 267.398 1.138 10 0 CDAERP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000662287084 414616696 /nfs/dbraw/zinc/61/66/96/414616696.db2.gz VUMHWMWCICSPKP-IHRRRGAJSA-N 2 0 250.386 1.772 10 0 CDAERP CC1(C)CCCC[C@H]1C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000662242068 414581422 /nfs/dbraw/zinc/58/14/22/414581422.db2.gz BFJGWCIQIMXAOR-CABCVRRESA-N 2 0 295.471 1.990 10 0 CDAERP CC[C@H](C)[NH2+]CC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000038101768 174117728 /nfs/dbraw/zinc/11/77/28/174117728.db2.gz JPVJDDDRKRAESO-ZDUSSCGKSA-N 2 0 267.417 1.461 10 0 CDAERP CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000040624589 174356563 /nfs/dbraw/zinc/35/65/63/174356563.db2.gz FZEUIJTVWHENTI-QWHCGFSZSA-N 2 0 255.406 1.350 10 0 CDAERP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1nccn1C ZINC000040639104 174363721 /nfs/dbraw/zinc/36/37/21/174363721.db2.gz ZKCGROMYGAMQKF-AGIUHOORSA-N 2 0 250.390 1.281 10 0 CDAERP CO[C@H]1C[NH2+][C@@H](CN2CCC([NH+]3CCCCC3)CC2)C1 ZINC000040694402 174377806 /nfs/dbraw/zinc/37/78/06/174377806.db2.gz DCINJDZASXRPGO-GDBMZVCRSA-N 2 0 281.444 1.314 10 0 CDAERP CC(C)[C@@H](C[NH3+])N1CCC([NH+]2CCCCC2)CC1 ZINC000040693765 174377993 /nfs/dbraw/zinc/37/79/93/174377993.db2.gz IQCJPOZPRGXPFQ-OAHLLOKOSA-N 2 0 253.434 1.920 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@@H](C)[NH2+]2)CC1 ZINC000042681639 174836462 /nfs/dbraw/zinc/83/64/62/174836462.db2.gz PSVJXEFRUVCREK-OCCSQVGLSA-N 2 0 267.417 1.460 10 0 CDAERP CC[C@H]([NH3+])[C@H](c1ccccn1)N1CC[NH+](CC)CC1 ZINC000043338844 175013037 /nfs/dbraw/zinc/01/30/37/175013037.db2.gz XKFOSMZHFGLAFX-DZGCQCFKSA-N 2 0 262.401 1.498 10 0 CDAERP C[C@@H]([NH3+])[C@@H](c1ccccn1)N(C)C1CC[NH+](C)CC1 ZINC000043338855 175013093 /nfs/dbraw/zinc/01/30/93/175013093.db2.gz VMNKTVPGMLYCKC-DOMZBBRYSA-N 2 0 262.401 1.496 10 0 CDAERP CCC[NH+]1CCN([C@H](c2ccccn2)[C@@H](C)[NH3+])CC1 ZINC000043338831 175013254 /nfs/dbraw/zinc/01/32/54/175013254.db2.gz QQISLEFVYLISFR-HIFRSBDPSA-N 2 0 262.401 1.498 10 0 CDAERP C[C@@H]([NH3+])[C@H](c1ccccn1)N1CCC(C[NH+](C)C)CC1 ZINC000043340470 175014345 /nfs/dbraw/zinc/01/43/45/175014345.db2.gz RDUMOKULZFGLCC-CZUORRHYSA-N 2 0 276.428 1.744 10 0 CDAERP C[C@H]([NH3+])[C@H](c1ccncc1)N1CCC([NH+](C)C)CC1 ZINC000043353689 175020994 /nfs/dbraw/zinc/02/09/94/175020994.db2.gz AAWGHQRSAUOERA-SWLSCSKDSA-N 2 0 262.401 1.496 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000043512758 175060869 /nfs/dbraw/zinc/06/08/69/175060869.db2.gz NKFYKQTVPFYKIU-HOTGVXAUSA-N 2 0 289.423 1.576 10 0 CDAERP C[C@@H](C(=O)N1CCC([NH3+])CC1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000043559809 175065930 /nfs/dbraw/zinc/06/59/30/175065930.db2.gz SOOJWOKJENBAJD-SRVKXCTJSA-N 2 0 253.390 1.197 10 0 CDAERP CCC[NH+]1CCN(C[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000043595983 175076473 /nfs/dbraw/zinc/07/64/73/175076473.db2.gz YOFFKAIVWGOMST-QGZVFWFLSA-N 2 0 273.424 1.901 10 0 CDAERP CCOC(=O)C[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043623146 175080817 /nfs/dbraw/zinc/08/08/17/175080817.db2.gz VSEWNFOTQRZRTR-LBPRGKRZSA-N 2 0 256.390 1.602 10 0 CDAERP CCC[NH2+]CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000044291773 175160175 /nfs/dbraw/zinc/16/01/75/175160175.db2.gz QJFJPNBKLJQHTQ-OAHLLOKOSA-N 2 0 275.396 1.377 10 0 CDAERP C[C@@H](C(=O)N1CCC(C[NH3+])CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000044512490 175188399 /nfs/dbraw/zinc/18/83/99/175188399.db2.gz YARZRARTIPXBNB-XQQFMLRXSA-N 2 0 267.417 1.445 10 0 CDAERP C[C@@H]1C[NH2+][C@@H](C)CCN([C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000044678656 175227849 /nfs/dbraw/zinc/22/78/49/175227849.db2.gz ANDHNXGAHILLPM-VNHYZAJKSA-N 2 0 251.418 1.543 10 0 CDAERP c1ccc2c(c1)CC[NH2+][C@H]2CN[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044679480 175228705 /nfs/dbraw/zinc/22/87/05/175228705.db2.gz AWIMYVNAYFHLSB-PBHICJAKSA-N 2 0 271.408 1.700 10 0 CDAERP CC[NH+](CC)CCNC(=O)[C@H](C[NH3+])Cc1ccccc1 ZINC000044793408 175254392 /nfs/dbraw/zinc/25/43/92/175254392.db2.gz SUWODDAQEHPNGA-HNNXBMFYSA-N 2 0 277.412 1.262 10 0 CDAERP CCC[NH2+][C@@](C)(CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(N)=O ZINC000045376907 175366729 /nfs/dbraw/zinc/36/67/29/175366729.db2.gz SLJQJDFAOQQEBN-LZWOXQAQSA-N 2 0 299.459 1.510 10 0 CDAERP C[NH2+][C@@](C)(CCC[N@@H+]1CCc2ccccc2C1)C(N)=O ZINC000045378792 175368130 /nfs/dbraw/zinc/36/81/30/175368130.db2.gz SAHJOHZKVCHFPQ-INIZCTEOSA-N 2 0 275.396 1.288 10 0 CDAERP CCOC(=O)[C@](C)([NH3+])CCCCN1CC[NH+](C(C)C)CC1 ZINC000045393795 175376255 /nfs/dbraw/zinc/37/62/55/175376255.db2.gz AXYLTSMXIVHZGN-MRXNPFEDSA-N 2 0 299.459 1.463 10 0 CDAERP C[NH2+][C@@](C)(CCCC[N@H+](C)CCc1ccncc1)C(N)=O ZINC000045419826 175378247 /nfs/dbraw/zinc/37/82/47/175378247.db2.gz FNZPNLSJTIVOMS-INIZCTEOSA-N 2 0 292.427 1.190 10 0 CDAERP CC(C)[N@H+](C)CCCCN1CCC[C@@H]([NH2+]C2CC2)C1=O ZINC000071034910 176024680 /nfs/dbraw/zinc/02/46/80/176024680.db2.gz MAYLJKVOCSJYML-OAHLLOKOSA-N 2 0 281.444 1.850 10 0 CDAERP CC[NH+](CC)C[C@@H](C)N1CCC[C@@H]([NH2+]C(C)C)C1=O ZINC000071034751 176024812 /nfs/dbraw/zinc/02/48/12/176024812.db2.gz DMGQYYRDUNRQBM-ZIAGYGMSSA-N 2 0 269.433 1.706 10 0 CDAERP CC[NH+](CC)C[C@@H](C)N1CCC[C@H]([NH2+]C2CC2)C1=O ZINC000071034753 176025026 /nfs/dbraw/zinc/02/50/26/176025026.db2.gz QRSYEIRFVAYJPA-OCCSQVGLSA-N 2 0 267.417 1.460 10 0 CDAERP CCC[NH2+][C@H]1CCCN([C@H](C)C[NH+]2CCCCC2)C1=O ZINC000071037372 176026105 /nfs/dbraw/zinc/02/61/05/176026105.db2.gz ANSVFHIMXKRXBA-CABCVRRESA-N 2 0 281.444 1.851 10 0 CDAERP Cc1ccc([C@@H](C)[N@H+](C)CCN2CC[NH2+]CC2)o1 ZINC000071148588 176044808 /nfs/dbraw/zinc/04/48/08/176044808.db2.gz OQUHDFGDCXQTGG-CYBMUJFWSA-N 2 0 251.374 1.486 10 0 CDAERP CCOc1ccccc1[C@@H]([NH3+])CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188729 176063611 /nfs/dbraw/zinc/06/36/11/176063611.db2.gz WSUGKORSVWLBDI-ZBFHGGJFSA-N 2 0 291.439 1.969 10 0 CDAERP CN(C[C@H]1CC[N@H+](C)C1)C(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000071189818 176065334 /nfs/dbraw/zinc/06/53/34/176065334.db2.gz RDFIGPRBQLBBTC-BBRMVZONSA-N 2 0 275.396 1.271 10 0 CDAERP CCC1(C(=O)N(C)C[C@H]2CC[N@H+](C)C2)CC[NH2+]CC1 ZINC000071189598 176065472 /nfs/dbraw/zinc/06/54/72/176065472.db2.gz DLGYSDOWHXQMED-ZDUSSCGKSA-N 2 0 267.417 1.176 10 0 CDAERP C[N@H+](C[C@@H]1CC[NH+](C)C1)C[C@@](C)(O)c1ccccc1 ZINC000071190241 176066571 /nfs/dbraw/zinc/06/65/71/176066571.db2.gz MFVXWAFVBYEXBE-GDBMZVCRSA-N 2 0 262.397 1.778 10 0 CDAERP C[C@@H]([C@H](O)c1ccccc1)[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190669 176067479 /nfs/dbraw/zinc/06/74/79/176067479.db2.gz RVYJKOUGUXKHGK-LZWOXQAQSA-N 2 0 262.397 1.992 10 0 CDAERP CCC[C@]1(CN(C)C[C@@H]2CC[N@H+](C)C2)CC[NH2+]C1 ZINC000071190958 176068692 /nfs/dbraw/zinc/06/86/92/176068692.db2.gz QQLVONNKTSMEKM-CABCVRRESA-N 2 0 253.434 1.650 10 0 CDAERP CC[NH2+]Cc1cc(N(C)C[C@H]2CC[N@H+](C)C2)ccn1 ZINC000071191629 176069745 /nfs/dbraw/zinc/06/97/45/176069745.db2.gz ASWKQJKGDZWVTL-ZDUSSCGKSA-N 2 0 262.401 1.579 10 0 CDAERP CC(C)[NH2+]Cc1ccnc(N(C)C[C@H]2CC[N@H+](C)C2)c1 ZINC000071191717 176071703 /nfs/dbraw/zinc/07/17/03/176071703.db2.gz QOOHSMGHSVHXSP-HNNXBMFYSA-N 2 0 276.428 1.968 10 0 CDAERP CCC[NH2+]CCCCCC[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000071289832 176110195 /nfs/dbraw/zinc/11/01/95/176110195.db2.gz FZFUIKBBVYGVEQ-UHFFFAOYSA-N 3 0 298.519 1.726 10 0 CDAERP CC[C@H]([NH3+])[C@H](c1ccco1)N1CC[NH+](CC(C)(C)O)CC1 ZINC000071380203 176144033 /nfs/dbraw/zinc/14/40/33/176144033.db2.gz KRFXCJLMHZMPIO-DZGCQCFKSA-N 2 0 295.427 1.447 10 0 CDAERP CC(C)(C)[NH+]1CCC(NC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2[NH3+])CC1 ZINC000079528284 177515918 /nfs/dbraw/zinc/51/59/18/177515918.db2.gz XPOXMHVGFOHJJQ-DHMWGJHJSA-N 2 0 293.455 1.739 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NC2(C[NH2+]C/C=C\Cl)CCCC2)C1 ZINC001665964635 1173094068 /nfs/dbraw/zinc/09/40/68/1173094068.db2.gz ZIUJILIEHCRGLC-IBSXUBTNSA-N 2 0 299.846 1.709 10 0 CDAERP O[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)C[NH+]1CCCCC1 ZINC000312644731 260187412 /nfs/dbraw/zinc/18/74/12/260187412.db2.gz IRCXMYDRRXOAKL-HRCADAONSA-N 3 0 281.444 1.050 10 0 CDAERP C[NH+](C)CCC(=O)NCC1([NH2+]CC2CC2)CCCC1 ZINC001666787885 1173186015 /nfs/dbraw/zinc/18/60/15/1173186015.db2.gz XFIVOBYGCAHZAV-UHFFFAOYSA-N 2 0 267.417 1.367 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000659485788 423808571 /nfs/dbraw/zinc/80/85/71/423808571.db2.gz CGIHBCYSMOIISR-ZIAGYGMSSA-N 2 0 298.475 1.779 10 0 CDAERP CN(CC1C[NH+](C)C1)C(=O)NCCC[NH+]1CCCCC1 ZINC000663503404 423896775 /nfs/dbraw/zinc/89/67/75/423896775.db2.gz RIDVNCHKPAGGJI-UHFFFAOYSA-N 2 0 282.432 1.065 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000652215856 424068491 /nfs/dbraw/zinc/06/84/91/424068491.db2.gz BDCYUZRHVBKLBY-LSDHHAIUSA-N 2 0 290.411 1.475 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000652214838 424068955 /nfs/dbraw/zinc/06/89/55/424068955.db2.gz UIIFGCPFMYYCQX-UONOGXRCSA-N 2 0 284.448 1.262 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000652225085 424081771 /nfs/dbraw/zinc/08/17/71/424081771.db2.gz PPCMVIBUHCSMDL-NEPJUHHUSA-N 2 0 278.400 1.331 10 0 CDAERP CC(C)C[C@H]([NH3+])c1noc([C@@H]2C[C@@]23CCC[NH2+]C3)n1 ZINC000653490722 424044269 /nfs/dbraw/zinc/04/42/69/424044269.db2.gz VLCUKRCSSFSOHK-COPLHBTASA-N 2 0 264.373 1.973 10 0 CDAERP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCCC1(C[NH3+])CC1 ZINC000652234886 424110147 /nfs/dbraw/zinc/11/01/47/424110147.db2.gz NVOATUDPVLRPFG-KGLIPLIRSA-N 2 0 294.443 1.384 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655611012 424182908 /nfs/dbraw/zinc/18/29/08/424182908.db2.gz QCNKDIFMZJEREC-ZJUUUORDSA-N 2 0 281.322 1.257 10 0 CDAERP CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H](C)[NH+](CC)CC)C1 ZINC000660822357 424243570 /nfs/dbraw/zinc/24/35/70/424243570.db2.gz MSSJGDJPBNFSSM-ZIAGYGMSSA-N 2 0 284.448 1.500 10 0 CDAERP CCO[C@@H]1C[N@H+](CCOc2cccc(OC)c2)C[C@H]1C[NH3+] ZINC000652356353 424304795 /nfs/dbraw/zinc/30/47/95/424304795.db2.gz CTHDYQWLENWNFJ-CZUORRHYSA-N 2 0 294.395 1.370 10 0 CDAERP CCOCC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652360971 424311362 /nfs/dbraw/zinc/31/13/62/424311362.db2.gz VLEJVDMVKJEIIE-BFHYXJOUSA-N 2 0 256.390 1.384 10 0 CDAERP CC[C@H]1CN(C(=O)NCC[C@@H]([NH3+])C(C)C)CC[C@@H]1[NH3+] ZINC000659618588 424412792 /nfs/dbraw/zinc/41/27/92/424412792.db2.gz IZJTWFOUYOCHDH-XQQFMLRXSA-N 2 0 270.421 1.129 10 0 CDAERP COCC[C@H](COC)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400999268 424421479 /nfs/dbraw/zinc/42/14/79/424421479.db2.gz LQWMPKXOQQLMIS-XJFOESAGSA-N 2 0 256.390 1.016 10 0 CDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000309819297 424456192 /nfs/dbraw/zinc/45/61/92/424456192.db2.gz PALWDLYGYHQIOR-RHSMWYFYSA-N 2 0 289.423 1.765 10 0 CDAERP O=C(NC1CC([NH+]2CCCCC2)C1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653151509 424388205 /nfs/dbraw/zinc/38/82/05/424388205.db2.gz JBEKIRMHQPKLJB-CKUJCDMFSA-N 2 0 291.439 1.650 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]([NH3+])Cc2ccccc2)C1 ZINC000655489390 424507049 /nfs/dbraw/zinc/50/70/49/424507049.db2.gz QAEVPZIPDYMYPM-QLFBSQMISA-N 2 0 275.396 1.013 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH2+]C2)C[C@@H]1C ZINC000519764846 265595778 /nfs/dbraw/zinc/59/57/78/265595778.db2.gz DPXXLWJSQNMLFD-BFHYXJOUSA-N 2 0 267.417 1.317 10 0 CDAERP CC[NH+](CC)CCNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173265342 270244660 /nfs/dbraw/zinc/24/46/60/270244660.db2.gz HUZPHSYZRGCHJD-KGLIPLIRSA-N 2 0 284.448 1.452 10 0 CDAERP C(CN1CCC[C@]2(CC[NH2+]C2)C1)C[NH+]1CCCCC1 ZINC000257654766 270307092 /nfs/dbraw/zinc/30/70/92/270307092.db2.gz FCOLEYFMSCFOJR-MRXNPFEDSA-N 2 0 265.445 1.938 10 0 CDAERP CN(C)c1cc[nH+]cc1C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422008826 270380116 /nfs/dbraw/zinc/38/01/16/270380116.db2.gz PZBWZPPCIWKQHC-UHFFFAOYSA-N 2 0 290.411 1.750 10 0 CDAERP CC[N@H+](CCNC(=O)N1CC[NH+]2CCCC[C@H]2C1)C1CC1 ZINC000246376264 276126123 /nfs/dbraw/zinc/12/61/23/276126123.db2.gz HCADUNJUKMNFOB-HNNXBMFYSA-N 2 0 294.443 1.350 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCC(=O)N2CCCCC2)[C@H]2CCC[C@@H]21 ZINC000367625305 277170586 /nfs/dbraw/zinc/17/05/86/277170586.db2.gz LCXQZLLECLYSOQ-PMPSAXMXSA-N 2 0 293.455 1.851 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N2CC[C@H](C)C[C@H]2C[NH3+])CC1 ZINC000261848535 277582083 /nfs/dbraw/zinc/58/20/83/277582083.db2.gz QEIRVXGNRMVYHV-ZFWWWQNUSA-N 2 0 281.444 1.693 10 0 CDAERP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000418231630 278980658 /nfs/dbraw/zinc/98/06/58/278980658.db2.gz CEMXQZKYJILTCN-RDBSUJKOSA-N 2 0 284.448 1.532 10 0 CDAERP C[C@@H]1C[N@H+](C)C[C@H]1NC1CC[NH+](C2CCCC2)CC1 ZINC000334285942 288097691 /nfs/dbraw/zinc/09/76/91/288097691.db2.gz BZYKVCFOGGLFGB-CZUORRHYSA-N 2 0 265.445 1.933 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000177851352 279038386 /nfs/dbraw/zinc/03/83/86/279038386.db2.gz ZMJJVFJXXAANQP-HUUCEWRRSA-N 2 0 298.475 1.700 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NCC1CC[NH+](C)CC1 ZINC000105148682 279127152 /nfs/dbraw/zinc/12/71/52/279127152.db2.gz KEYTVKYIITWREI-OAHLLOKOSA-N 2 0 298.475 1.604 10 0 CDAERP CC[N@H+](CCNC(=O)NCC[NH+]1CCCC[C@@H]1C)C1CC1 ZINC000338426561 279198451 /nfs/dbraw/zinc/19/84/51/279198451.db2.gz TUVVZQJJTOPKSJ-AWEZNQCLSA-N 2 0 296.459 1.644 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000423437384 279255246 /nfs/dbraw/zinc/25/52/46/279255246.db2.gz QJFUWMVODLWWPQ-LXTVHRRPSA-N 3 0 253.434 1.966 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000245423058 279300141 /nfs/dbraw/zinc/30/01/41/279300141.db2.gz JFVKARPHGUGZFL-FRRDWIJNSA-N 2 0 253.390 1.057 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CC2(C(=O)OC)CC2)[C@@H](C)C1 ZINC000450571840 279397680 /nfs/dbraw/zinc/39/76/80/279397680.db2.gz SOZYLRCXBQSSPK-QWHCGFSZSA-N 2 0 268.401 1.602 10 0 CDAERP CC(C)[C@@H]([NH3+])CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000418406517 279876910 /nfs/dbraw/zinc/87/69/10/279876910.db2.gz LVLSJPPTRQSEDA-GJZGRUSLSA-N 2 0 296.459 1.630 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C[C@H](O)C[NH+](C)C1CC1 ZINC000312852517 288299208 /nfs/dbraw/zinc/29/92/08/288299208.db2.gz GKSJIOBBMBXFNI-VNQPRFMTSA-N 2 0 281.444 1.000 10 0 CDAERP C[NH+](C)CCOCC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000447594063 289170151 /nfs/dbraw/zinc/17/01/51/289170151.db2.gz WTGPPVXTJSYLQL-BZUAXINKSA-N 2 0 284.444 1.750 10 0 CDAERP [NH3+]C1(CNC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CCCCCC1 ZINC000557196336 290335267 /nfs/dbraw/zinc/33/52/67/290335267.db2.gz DYFBRWMCCMKHGW-ZDUSSCGKSA-N 2 0 294.443 1.574 10 0 CDAERP C[NH2+]C1CCN(C(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000563101120 293274919 /nfs/dbraw/zinc/27/49/19/293274919.db2.gz XGTCSIFJDQRJMT-OLZOCXBDSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@H](NC[C@@H](O)C[NH+]1CCCC1)c1cn2ccccc2n1 ZINC000570224998 294199360 /nfs/dbraw/zinc/19/93/60/294199360.db2.gz JSJSTEGWRWEKKZ-UONOGXRCSA-N 2 0 288.395 1.442 10 0 CDAERP [NH3+]CC12CCC(CC1)CN2CCOC[C@@H]1CCCO1 ZINC000570227070 294200344 /nfs/dbraw/zinc/20/03/44/294200344.db2.gz VHWQJXGNWMZWPX-SLTAFYQDSA-N 2 0 268.401 1.385 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)CN2CC(C)(C)C2)CC[N@@H+]1C ZINC000570860187 294324033 /nfs/dbraw/zinc/32/40/33/294324033.db2.gz DTVZUXACCJSZQP-OLZOCXBDSA-N 2 0 267.417 1.269 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000571222397 294392010 /nfs/dbraw/zinc/39/20/10/294392010.db2.gz CTUXNHGEPNYYAP-KBPBESRZSA-N 2 0 265.401 1.025 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC1(CF)CCOCC1 ZINC000423146895 295251037 /nfs/dbraw/zinc/25/10/37/295251037.db2.gz BOYRIIYPBHISMA-QWHCGFSZSA-N 2 0 258.381 1.860 10 0 CDAERP [NH3+]Cc1cc(C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)co1 ZINC000188289032 295277065 /nfs/dbraw/zinc/27/70/65/295277065.db2.gz WMGWZFORQKUOHR-LLVKDONJSA-N 2 0 263.341 1.095 10 0 CDAERP C[C@H]1CCN(C(=O)CC2(C[NH3+])CCCCC2)[C@@H](C[NH3+])C1 ZINC000261925432 299922313 /nfs/dbraw/zinc/92/23/13/299922313.db2.gz ZKEIZHNWKNMCDX-UONOGXRCSA-N 2 0 281.444 1.872 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[N@@H+]1C1CC1 ZINC000417857666 297276602 /nfs/dbraw/zinc/27/66/02/297276602.db2.gz OOUYLKPYCVNERT-YIYPIFLZSA-N 2 0 292.427 1.148 10 0 CDAERP C[C@H](CC(=O)N1CCC2(CC[NH2+]2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000335407074 298286525 /nfs/dbraw/zinc/28/65/25/298286525.db2.gz QXHIEEMCSNDBBF-ZIAGYGMSSA-N 2 0 279.428 1.367 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)[C@H]1CC1(C)C ZINC000487295272 298620132 /nfs/dbraw/zinc/62/01/32/298620132.db2.gz CWERYXCIXCGMKU-MGPQQGTHSA-N 2 0 253.434 1.647 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000334886899 300674482 /nfs/dbraw/zinc/67/44/82/300674482.db2.gz APTCENQDMWFXLC-AAEUAGOBSA-N 2 0 282.432 1.380 10 0 CDAERP CC(C)OCCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001669924642 1173630372 /nfs/dbraw/zinc/63/03/72/1173630372.db2.gz FCXCGJHBHHGDQT-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)C[NH+](C)[C@H]2CCSC2)CC[N@@H+]1C ZINC000343730232 316038637 /nfs/dbraw/zinc/03/86/37/316038637.db2.gz XNMJVKREMTXFIP-MCIONIFRSA-N 2 0 299.484 1.365 10 0 CDAERP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2cccc(Cl)c2)CC1 ZINC000563343227 316258833 /nfs/dbraw/zinc/25/88/33/316258833.db2.gz IODBDBFJFMESRI-OAHLLOKOSA-N 2 0 297.830 1.038 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000563378849 316278431 /nfs/dbraw/zinc/27/84/31/316278431.db2.gz WIDXSIVNTXOYNW-ZDUSSCGKSA-N 2 0 267.417 1.176 10 0 CDAERP C[C@@H](Cc1ccccc1)[NH+]1CCC(NC2C[NH2+]C2)CC1 ZINC000563616446 316343402 /nfs/dbraw/zinc/34/34/02/316343402.db2.gz LBMWRBFSZNQQHD-AWEZNQCLSA-N 2 0 273.424 1.643 10 0 CDAERP CC(C)[NH2+]CCC(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000566610376 316640518 /nfs/dbraw/zinc/64/05/18/316640518.db2.gz KPHCYLLEERBOKF-KGLIPLIRSA-N 2 0 267.417 1.365 10 0 CDAERP [NH3+]CCCCC(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000566618270 316642728 /nfs/dbraw/zinc/64/27/28/316642728.db2.gz AWIQQQGRSFMVRF-UHFFFAOYSA-N 2 0 282.413 1.678 10 0 CDAERP CC[NH2+]Cc1ccccc1NC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000569576436 316806548 /nfs/dbraw/zinc/80/65/48/316806548.db2.gz RLAKCMSPIHDDSV-WCQYABFASA-N 2 0 261.369 1.733 10 0 CDAERP C[C@H](Cn1cccn1)[NH2+]Cc1ccc2c(c1)C[NH2+]CC2 ZINC000575755547 317009433 /nfs/dbraw/zinc/00/94/33/317009433.db2.gz SPOJCYAOEBLHRA-CYBMUJFWSA-N 2 0 270.380 1.707 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000185573838 323391655 /nfs/dbraw/zinc/39/16/55/323391655.db2.gz CCXHCRUKKXGWMB-UHFFFAOYSA-N 2 0 298.475 1.842 10 0 CDAERP CC1CCN(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000579223469 324131606 /nfs/dbraw/zinc/13/16/06/324131606.db2.gz LYWMFZBLBNLOSE-UHFFFAOYSA-N 2 0 284.448 1.264 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCC[NH2+]C(C)C)[C@H](C)C1 ZINC000579572324 324220120 /nfs/dbraw/zinc/22/01/20/324220120.db2.gz ZDLAUDWAWGPYOQ-CABCVRRESA-N 2 0 298.475 1.746 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN(C)[C@@H]1CC[NH2+]C1 ZINC000583084683 325103480 /nfs/dbraw/zinc/10/34/80/325103480.db2.gz KSKCCALPURDEQE-OAHLLOKOSA-N 2 0 271.368 1.369 10 0 CDAERP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H](C)C[C@H](C)[NH3+])CC2 ZINC000583320843 325151912 /nfs/dbraw/zinc/15/19/12/325151912.db2.gz RBTNOPCMKQKTFZ-YJNKXOJESA-N 2 0 296.459 1.769 10 0 CDAERP C[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1[NH2+]CCF ZINC001673934415 1173899858 /nfs/dbraw/zinc/89/98/58/1173899858.db2.gz YHLKZCRASOOQQQ-LSDHHAIUSA-N 2 0 299.434 1.659 10 0 CDAERP COc1cc(C)nc(C[NH+]2CCC(CC[NH3+])CC2)c1 ZINC000214079661 326906211 /nfs/dbraw/zinc/90/62/11/326906211.db2.gz PVZUVCTXSSQVAR-UHFFFAOYSA-N 2 0 263.385 1.959 10 0 CDAERP C[C@H](CC(=O)N1CC2CCC1(C[NH3+])CC2)[C@H]1CCC[NH2+]C1 ZINC000584120793 327043800 /nfs/dbraw/zinc/04/38/00/327043800.db2.gz YFLMRCXJRKPAQG-GJEMEMOUSA-N 2 0 293.455 1.742 10 0 CDAERP C[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)CCC1CC1 ZINC001267225891 1159190632 /nfs/dbraw/zinc/19/06/32/1159190632.db2.gz GRENGDDVKRXGQO-AWEZNQCLSA-N 2 0 267.417 1.176 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000251055412 1159481689 /nfs/dbraw/zinc/48/16/89/1159481689.db2.gz BJTJPXALMJKUHU-MGPQQGTHSA-N 2 0 267.417 1.495 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001482118663 1159984002 /nfs/dbraw/zinc/98/40/02/1159984002.db2.gz ZRNRUHONVWTYJD-KGLIPLIRSA-N 2 0 299.434 1.705 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]C(C)C ZINC001732753655 1160198805 /nfs/dbraw/zinc/19/88/05/1160198805.db2.gz HDWCTQYUPGQTSV-ZIAGYGMSSA-N 2 0 269.433 1.754 10 0 CDAERP C[C@H]1CCC[C@](CNC(=O)CC2([NH3+])CC2)([NH+](C)C)C1 ZINC000398065204 482242035 /nfs/dbraw/zinc/24/20/35/482242035.db2.gz HPEBAGVDCVASFE-WFASDCNBSA-N 2 0 267.417 1.495 10 0 CDAERP C[N@H+](CCNC(=O)CC1([NH3+])CC1)Cc1ccccc1 ZINC000398129080 482244514 /nfs/dbraw/zinc/24/45/14/482244514.db2.gz JQNHHVLUZVIHDN-UHFFFAOYSA-N 2 0 261.369 1.116 10 0 CDAERP COC1(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)CCCC1 ZINC000668785546 482314020 /nfs/dbraw/zinc/31/40/20/482314020.db2.gz RRSXNKAWCWUDSB-OAHLLOKOSA-N 2 0 284.444 1.988 10 0 CDAERP O=C(C[C@H]1CCC[NH2+]1)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000662686724 482420023 /nfs/dbraw/zinc/42/00/23/482420023.db2.gz PIASDQMJWSZBHC-CABCVRRESA-N 2 0 289.379 1.428 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000227381584 482451018 /nfs/dbraw/zinc/45/10/18/482451018.db2.gz VFBXECIDKDZGRR-BFHYXJOUSA-N 2 0 265.401 1.058 10 0 CDAERP CC(C)(CNC(=O)NC/C=C\C[NH3+])[NH+]1CCCCC1 ZINC000668634097 482494268 /nfs/dbraw/zinc/49/42/68/482494268.db2.gz KZGXFGWXTZNOME-PLNGDYQASA-N 2 0 268.405 1.065 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000417282984 482578372 /nfs/dbraw/zinc/57/83/72/482578372.db2.gz BWXYHTXMQTZSTA-QWRGUYRKSA-N 2 0 292.374 1.013 10 0 CDAERP Cc1ccccc1[C@@H]([NH3+])C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334621787 482748992 /nfs/dbraw/zinc/74/89/92/482748992.db2.gz IFAFILJOAHLMNF-NVXWUHKLSA-N 2 0 287.407 1.597 10 0 CDAERP CCC[N@H+](CCO)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667477640 482759445 /nfs/dbraw/zinc/75/94/45/482759445.db2.gz MCSHJVXUCNJZAS-UHFFFAOYSA-N 2 0 260.341 1.472 10 0 CDAERP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000166041000 482768426 /nfs/dbraw/zinc/76/84/26/482768426.db2.gz LBOSHMAZZXCCFK-SOUVJXGZSA-N 2 0 295.471 1.859 10 0 CDAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)[C@@H]1CCC[NH2+]C1 ZINC000082281102 482776217 /nfs/dbraw/zinc/77/62/17/482776217.db2.gz VIDBXNPGBBEFTJ-LLVKDONJSA-N 2 0 271.324 1.205 10 0 CDAERP CO[C@@H]1CCC[C@@H]([NH2+][C@@H](C)CCN2CC[NH+](C)CC2)C1 ZINC000684395869 482790912 /nfs/dbraw/zinc/79/09/12/482790912.db2.gz ZPJFRZGIYLIBJY-ARFHVFGLSA-N 2 0 283.460 1.560 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000517338267 482792806 /nfs/dbraw/zinc/79/28/06/482792806.db2.gz QPSHHSHZHJGCAU-ZBFHGGJFSA-N 2 0 296.459 1.502 10 0 CDAERP C[C@H](NC(=O)NC/C=C\C[NH3+])[C@@H](c1ccccc1)[NH+](C)C ZINC000669583408 482818715 /nfs/dbraw/zinc/81/87/15/482818715.db2.gz WBGWYKWICZQFOX-NPLBLWOUSA-N 2 0 290.411 1.492 10 0 CDAERP CC1(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)CCC1 ZINC000335634514 482850232 /nfs/dbraw/zinc/85/02/32/482850232.db2.gz PGSNVWNQVCKEIZ-ZDUSSCGKSA-N 2 0 252.402 1.864 10 0 CDAERP O=C([C@@H]1[NH2+]CCc2ccccc21)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000520771013 482869977 /nfs/dbraw/zinc/86/99/77/482869977.db2.gz IPRPHPAZIUKYFL-SJLPKXTDSA-N 2 0 299.418 1.476 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000167659654 482935232 /nfs/dbraw/zinc/93/52/32/482935232.db2.gz XPULIWQLIVNZMP-HNNXBMFYSA-N 2 0 273.380 1.359 10 0 CDAERP C[C@@H]([NH2+]Cc1cc(C(N)=O)co1)C1CC[NH+](C)CC1 ZINC000681743737 482984989 /nfs/dbraw/zinc/98/49/89/482984989.db2.gz MRVVQRJDVVPYMI-SNVBAGLBSA-N 2 0 265.357 1.198 10 0 CDAERP COc1cc(C)nc(C[NH2+][C@H]2CC23CC[NH2+]CC3)c1 ZINC000666954016 483017554 /nfs/dbraw/zinc/01/75/54/483017554.db2.gz NSZQMZAQZGSXIO-AWEZNQCLSA-N 2 0 261.369 1.630 10 0 CDAERP CC1CC[NH+](CCNC(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089459297 483085876 /nfs/dbraw/zinc/08/58/76/483085876.db2.gz YMJVNQGGQIVRGU-KGLIPLIRSA-N 2 0 267.417 1.210 10 0 CDAERP C[C@@H]([NH2+]CCc1nnnn1C)c1ccc(-n2ccnc2)cc1 ZINC000678546676 483109232 /nfs/dbraw/zinc/10/92/32/483109232.db2.gz JDAMLYUWPRIKIE-GFCCVEGCSA-N 2 0 297.366 1.289 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000669469234 483180562 /nfs/dbraw/zinc/18/05/62/483180562.db2.gz HJOODAYRQXYCPE-QLFBSQMISA-N 2 0 296.459 1.691 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC/C=C/C[NH3+] ZINC000669489839 483278704 /nfs/dbraw/zinc/27/87/04/483278704.db2.gz OBVAUFIVROSWNL-MUBLQREKSA-N 2 0 268.405 1.065 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)C[C@H]([NH3+])C(C)C)CC1 ZINC000136322061 483390161 /nfs/dbraw/zinc/39/01/61/483390161.db2.gz OWRZTYYJBZIBPL-AWEZNQCLSA-N 2 0 269.433 1.741 10 0 CDAERP CC(C)[C@H](C[NH2+][C@@H]1CO[C@H](C2CC2)C1)N1CC[NH+](C)CC1 ZINC000667777137 483420491 /nfs/dbraw/zinc/42/04/91/483420491.db2.gz OGVUCJCWDXKVSI-ULQDDVLXSA-N 2 0 295.471 1.416 10 0 CDAERP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667853426 483460730 /nfs/dbraw/zinc/46/07/30/483460730.db2.gz BHDLDUHXXZVAEC-DLBZAZTESA-N 2 0 295.471 1.417 10 0 CDAERP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667935198 483484609 /nfs/dbraw/zinc/48/46/09/483484609.db2.gz GOHDEAJFSDVXRL-GOEBONIOSA-N 2 0 281.444 1.170 10 0 CDAERP CC[C@H]1C[C@@H]([NH2+]CC(=O)NCC[NH+]2CCCCCC2)CO1 ZINC000668189932 483603625 /nfs/dbraw/zinc/60/36/25/483603625.db2.gz URGRSQYJUKVECY-CABCVRRESA-N 2 0 297.443 1.136 10 0 CDAERP CC(C)[C@H](C(=O)N(C)CC[NH2+]CC1CC(C)C1)[NH+](C)C ZINC001691565268 1160701557 /nfs/dbraw/zinc/70/15/57/1160701557.db2.gz WENFFLDQOCMUDE-YMAMQOFZSA-N 2 0 283.460 1.667 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001483583440 1160950841 /nfs/dbraw/zinc/95/08/41/1160950841.db2.gz PKRVBGBEPZHWBG-FPMFFAJLSA-N 2 0 267.417 1.221 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000061278631 519904827 /nfs/dbraw/zinc/90/48/27/519904827.db2.gz HXBCJKNGOCQVLV-UHFFFAOYSA-N 2 0 257.422 1.610 10 0 CDAERP CC[NH2+]CCC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000061293873 519916316 /nfs/dbraw/zinc/91/63/16/519916316.db2.gz WJOVGWPJTXAODA-UHFFFAOYSA-N 2 0 255.406 1.365 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000061266225 519934801 /nfs/dbraw/zinc/93/48/01/519934801.db2.gz FHOZYACUBJMKGT-RLAWYHOSSA-N 2 0 267.417 1.221 10 0 CDAERP CC[NH2+]Cc1cn(CC[NH+]2C[C@@H](C)C[C@H](C)C2)nn1 ZINC000052420713 520012414 /nfs/dbraw/zinc/01/24/14/520012414.db2.gz UQOYXCBDELXESH-STQMWFEESA-N 2 0 265.405 1.366 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000061272823 520061542 /nfs/dbraw/zinc/06/15/42/520061542.db2.gz HNSHDRBOPDPGDU-AWEZNQCLSA-N 2 0 281.444 1.851 10 0 CDAERP CCCCC[N@H+](C)CCn1cc(C[NH2+]C2CC2)nn1 ZINC000052454805 520152603 /nfs/dbraw/zinc/15/26/03/520152603.db2.gz JYHOZOVYZVZPDX-UHFFFAOYSA-N 2 0 265.405 1.652 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000061272750 520163147 /nfs/dbraw/zinc/16/31/47/520163147.db2.gz GMMBYJRRDFZBNF-CYBMUJFWSA-N 2 0 269.433 1.707 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)[C@@H](C)C[NH2+]CC)CC1 ZINC000061230695 520574158 /nfs/dbraw/zinc/57/41/58/520574158.db2.gz WARWAFLLJFKBNN-ZDUSSCGKSA-N 2 0 269.433 1.613 10 0 CDAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH+](C)CCCF ZINC001485349580 1161276310 /nfs/dbraw/zinc/27/63/10/1161276310.db2.gz HYURTDNYDURXRF-STQMWFEESA-N 2 0 273.396 1.124 10 0 CDAERP CC[NH+](CC)CCc1nc(C)cc(C[C@H](C)[NH3+])n1 ZINC000054835342 520712280 /nfs/dbraw/zinc/71/22/80/520712280.db2.gz MULDETGRABAYES-NSHDSACASA-N 2 0 250.390 1.559 10 0 CDAERP CCC[N@H+](C)CC(=O)NCC[NH+](C)CC1=CCCCC1 ZINC001713474137 1178590457 /nfs/dbraw/zinc/59/04/57/1178590457.db2.gz KHRZCLPOCYCVMF-UHFFFAOYSA-N 2 0 281.444 1.877 10 0 CDAERP C[NH2+]C[C@H]1CC[C@@H](COCC[C@@H]2CCC[N@@H+]2C)O1 ZINC000052673620 522092438 /nfs/dbraw/zinc/09/24/38/522092438.db2.gz OWKBBZTXRMAVRW-MJBXVCDLSA-N 2 0 256.390 1.254 10 0 CDAERP CC(C)[N@@H+]1CC[C@@](C)(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001724182607 1181649063 /nfs/dbraw/zinc/64/90/63/1181649063.db2.gz CPFLSJYOXXIOLO-UKRRQHHQSA-N 2 0 267.417 1.317 10 0 CDAERP C[NH2+][C@H](C)c1cnc(N(C)[C@@H]2CCC[N@H+](C)C2)s1 ZINC000054905609 522454579 /nfs/dbraw/zinc/45/45/79/522454579.db2.gz CHUBXOPDGNYQTQ-GHMZBOCLSA-N 2 0 268.430 1.954 10 0 CDAERP CC(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001410929418 1161963761 /nfs/dbraw/zinc/96/37/61/1161963761.db2.gz QCOMOSFEACTZTA-OWCLPIDISA-N 2 0 295.471 1.811 10 0 CDAERP CC(C)(C)[NH2+]CC1(C[N@H+](CCO)C2CC2)CCOCC1 ZINC000052198058 518753498 /nfs/dbraw/zinc/75/34/98/518753498.db2.gz NNHYMPSHPYJKAP-UHFFFAOYSA-N 2 0 284.444 1.628 10 0 CDAERP CC(C)C[NH+]1CCN(C[C@@H]2CC[C@H](C[NH2+]C(C)C)O2)CC1 ZINC000055082815 519726675 /nfs/dbraw/zinc/72/66/75/519726675.db2.gz JEDRPNYOMRANCE-SJORKVTESA-N 2 0 297.487 1.806 10 0 CDAERP CC(C)C[NH+]1CCN([C@@H](C[NH3+])c2cccnc2)CC1 ZINC000055077440 519727520 /nfs/dbraw/zinc/72/75/20/519727520.db2.gz OHWIMLAVGIGMJQ-HNNXBMFYSA-N 2 0 262.401 1.355 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000049197407 519814457 /nfs/dbraw/zinc/81/44/57/519814457.db2.gz LTDHIDSQNSCTKR-DKUMPPAJSA-N 2 0 253.434 1.787 10 0 CDAERP CC(C)[C@H](CNC(=O)CC[C@H]1CCCC[NH2+]1)[NH+](C)C ZINC000050950057 519815203 /nfs/dbraw/zinc/81/52/03/519815203.db2.gz MUWNCSBHDWMSJA-KGLIPLIRSA-N 2 0 269.433 1.611 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000055163207 519845818 /nfs/dbraw/zinc/84/58/18/519845818.db2.gz QFCUYSFNDMXBMM-ZIAGYGMSSA-N 2 0 281.444 1.742 10 0 CDAERP CCC[NH+]1CCC([C@H](C)[NH2+]C[C@H]2CN(C)CCN2C)CC1 ZINC000068800925 519847596 /nfs/dbraw/zinc/84/75/96/519847596.db2.gz QXHZLLVZKIJDGL-RDJZCZTQSA-N 2 0 296.503 1.332 10 0 CDAERP CCC[NH+]1CCC([C@@H](C)[NH2+]CCn2cccn2)CC1 ZINC000049075195 519847933 /nfs/dbraw/zinc/84/79/33/519847933.db2.gz VZDRDMJKBIHDMV-CQSZACIVSA-N 2 0 264.417 1.983 10 0 CDAERP CCC[NH+]1CCN(CC2(C[NH2+]C3CC3)CCOCC2)CC1 ZINC000052180606 519857775 /nfs/dbraw/zinc/85/77/75/519857775.db2.gz BJYCLKYIGNFTOO-UHFFFAOYSA-N 2 0 295.471 1.563 10 0 CDAERP CCC[NH2+]C[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000052379599 519922803 /nfs/dbraw/zinc/92/28/03/519922803.db2.gz IQHBQRWDTGYBHB-INIZCTEOSA-N 2 0 261.413 1.975 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)C2CCN(C)CC2)O1 ZINC000052419908 519953289 /nfs/dbraw/zinc/95/32/89/519953289.db2.gz ZBBLRSLPTIICMC-LSDHHAIUSA-N 2 0 269.433 1.170 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)Cc2ccccn2)O1 ZINC000052478879 519953318 /nfs/dbraw/zinc/95/33/18/519953318.db2.gz HPLREGQRDXAHNQ-LSDHHAIUSA-N 2 0 263.385 1.671 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@H](C[N@H+](CCOC)CC(C)C)O1 ZINC000052508690 519956373 /nfs/dbraw/zinc/95/63/73/519956373.db2.gz XSPQSVGLTNBIOY-LSDHHAIUSA-N 2 0 272.433 1.748 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@H](C[N@H+](C)C[C@@H]2CCCCO2)O1 ZINC000052507614 519979669 /nfs/dbraw/zinc/97/96/69/519979669.db2.gz PMDOWUBYCOGJFM-QLFBSQMISA-N 2 0 270.417 1.644 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@H](C[N@H+](C)Cc2ccco2)O1 ZINC000052456858 519980379 /nfs/dbraw/zinc/98/03/79/519980379.db2.gz HZFDBVPNPGADRD-TZMCWYRMSA-N 2 0 252.358 1.869 10 0 CDAERP CC[NH2+]Cc1cc(N2CCC[C@H]2C[NH+](C)C)ccn1 ZINC000061654172 519993107 /nfs/dbraw/zinc/99/31/07/519993107.db2.gz PXBBGVRFCKADMP-HNNXBMFYSA-N 2 0 262.401 1.722 10 0 CDAERP CC[NH2+]Cc1ccc(OCC[N@H+](C)CCOC)cc1 ZINC000052572858 519999682 /nfs/dbraw/zinc/99/96/82/519999682.db2.gz LWHMQHJKAQJQIQ-UHFFFAOYSA-N 2 0 266.385 1.753 10 0 CDAERP CCC[NH2+][C@@H](CN1CC[N@H+](C)C(C)(C)C1)C1CC1 ZINC000069075690 520008607 /nfs/dbraw/zinc/00/86/07/520008607.db2.gz NDPYNLRLJKTCQR-AWEZNQCLSA-N 2 0 253.434 1.791 10 0 CDAERP CCC[NH2+][C@@H]1CCOC[C@H]1N1CCC[C@@H]1C[NH+](C)C ZINC000061643770 520024215 /nfs/dbraw/zinc/02/42/15/520024215.db2.gz BXPWDLLYLOBTSH-RBSFLKMASA-N 2 0 269.433 1.170 10 0 CDAERP CCC[NH2+][C@H](C)CCC[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061643822 520062490 /nfs/dbraw/zinc/06/24/90/520062490.db2.gz ICIDLYTVOIRSGE-MRXNPFEDSA-N 3 0 284.492 1.334 10 0 CDAERP CCCCCC[NH2+]CCN1CCN(CC[NH+](C)C)CC1 ZINC000061655296 520094082 /nfs/dbraw/zinc/09/40/82/520094082.db2.gz FLWWPDWNIUAFJS-UHFFFAOYSA-N 2 0 284.492 1.336 10 0 CDAERP CC[NH2+][C@@](C)(C[C@@H](C)N(C)C1CC[NH+](CC)CC1)C(N)=O ZINC000068635118 520137472 /nfs/dbraw/zinc/13/74/72/520137472.db2.gz INFQRFLUEMWITI-CJNGLKHVSA-N 2 0 298.475 1.035 10 0 CDAERP CCCO[C@@H]1CCC[N@H+](CC[C@@H](C[NH3+])OCC)C1 ZINC000062741112 520270241 /nfs/dbraw/zinc/27/02/41/520270241.db2.gz NATRCVYBPUFNIJ-UONOGXRCSA-N 2 0 258.406 1.631 10 0 CDAERP CCO[C@H](C[NH3+])CC[N@H+](C)CCc1ccccn1 ZINC000062740782 520515543 /nfs/dbraw/zinc/51/55/43/520515543.db2.gz RCDQKDNENDSKPE-AWEZNQCLSA-N 2 0 251.374 1.310 10 0 CDAERP CCC[C@]1(C(=O)NCCC[NH+]2CCCC2)CCC[NH2+]C1 ZINC000062853328 521299353 /nfs/dbraw/zinc/29/93/53/521299353.db2.gz REZAQHRAHFBNTI-INIZCTEOSA-N 2 0 281.444 1.758 10 0 CDAERP CCC(CC)(C[NH3+])C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000061644100 521421319 /nfs/dbraw/zinc/42/13/19/521421319.db2.gz QTFZDMXCXBTUBO-GFCCVEGCSA-N 2 0 255.406 1.304 10 0 CDAERP CCC(CC)[C@@H](CNC(=O)CCC[NH3+])[NH+]1CCCC1 ZINC000236662416 521602172 /nfs/dbraw/zinc/60/21/72/521602172.db2.gz OCSOKEUYEHHJBW-CQSZACIVSA-N 2 0 269.433 1.742 10 0 CDAERP CC[NH+]1CCN(C[C@H]2C[C@H](C)CC[C@@H]2[NH2+]C)CC1 ZINC000053860769 521686718 /nfs/dbraw/zinc/68/67/18/521686718.db2.gz HMTPIOUJJPIPIH-KFWWJZLASA-N 2 0 253.434 1.648 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1c1nc2sccn2c1C[NH3+] ZINC000061646078 521846236 /nfs/dbraw/zinc/84/62/36/521846236.db2.gz GIHKTHRSAODTFA-JTQLQIEISA-N 2 0 279.413 1.385 10 0 CDAERP C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CCCC[NH+](C)C ZINC000054602550 521952592 /nfs/dbraw/zinc/95/25/92/521952592.db2.gz UYKRZZUMRKWSAX-GOOCMWNKSA-N 2 0 253.434 1.933 10 0 CDAERP C[NH+](C)[C@H]1CCN([C@@H](C[NH3+])c2ccc3ncccc3c2)C1 ZINC000069502798 522104311 /nfs/dbraw/zinc/10/43/11/522104311.db2.gz FSIALHYRNJIWCV-RDJZCZTQSA-N 2 0 284.407 1.871 10 0 CDAERP C[NH2+]Cc1cccc(OCCN2CCC([NH+](C)C)CC2)c1 ZINC000052477678 522135016 /nfs/dbraw/zinc/13/50/16/522135016.db2.gz UXYOYJKFRYPFRL-UHFFFAOYSA-N 2 0 291.439 1.811 10 0 CDAERP CC[C@H]([NH3+])[C@H](c1ccncc1)N1CCC[C@@H]1C[NH+](C)C ZINC000061641986 522345658 /nfs/dbraw/zinc/34/56/58/522345658.db2.gz BWSPJQSBMYQWFC-PMPSAXMXSA-N 2 0 276.428 1.886 10 0 CDAERP CC[C@@H](CC[NH3+])N1CCC[N@H+](CCn2cccn2)CC1 ZINC000049313914 522497513 /nfs/dbraw/zinc/49/75/13/522497513.db2.gz LZHUIUFZWYHYEJ-HNNXBMFYSA-N 2 0 279.432 1.018 10 0 CDAERP C[N@H+](CCN1CCC[NH2+]CC1)CC1CCCCC1 ZINC000061275347 522832618 /nfs/dbraw/zinc/83/26/18/522832618.db2.gz KTZJTJKJVGNLFY-UHFFFAOYSA-N 2 0 253.434 1.794 10 0 CDAERP C[N@H+](Cc1ccccc1F)CC1(O)CC[NH2+]CC1 ZINC000051016314 523370892 /nfs/dbraw/zinc/37/08/92/523370892.db2.gz XCWGJDVZPCLAFO-UHFFFAOYSA-N 2 0 252.333 1.372 10 0 CDAERP CN(Cc1[nH+]c(NN)ccc1Cl)[C@@H]1CCC[N@H+](C)C1 ZINC000061639121 523556823 /nfs/dbraw/zinc/55/68/23/523556823.db2.gz CGTYLNHCDAMXCW-SNVBAGLBSA-N 2 0 283.807 1.547 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)CC[C@@H]2CCCC[NH2+]2)CC1 ZINC000055078201 523948148 /nfs/dbraw/zinc/94/81/48/523948148.db2.gz WSXDPFFDESMWOG-GJZGRUSLSA-N 2 0 281.444 1.851 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000055077835 523949554 /nfs/dbraw/zinc/94/95/54/523949554.db2.gz OXRISZKCTSNEGO-QWHCGFSZSA-N 2 0 253.390 1.071 10 0 CDAERP CC[C@H](C)[NH+]1CCN([C@](C)(C[NH3+])CCOC)CC1 ZINC000055064438 523958993 /nfs/dbraw/zinc/95/89/93/523958993.db2.gz UWHPQGALDFQFAK-KBPBESRZSA-N 2 0 257.422 1.156 10 0 CDAERP C[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[C@H](C[NH3+])C2)CC1 ZINC000055161509 524049065 /nfs/dbraw/zinc/04/90/65/524049065.db2.gz XABSWTNSOBORCC-LSDHHAIUSA-N 2 0 281.444 1.552 10 0 CDAERP C[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000055161513 524049259 /nfs/dbraw/zinc/04/92/59/524049259.db2.gz XABSWTNSOBORCC-HUUCEWRRSA-N 2 0 281.444 1.552 10 0 CDAERP C[C@@H](C[NH3+])C[N@@H+]1CCCN(CCC[NH+]2CCCC2)CC1 ZINC000049332123 524581743 /nfs/dbraw/zinc/58/17/43/524581743.db2.gz FOFRCXFTBHCQIZ-INIZCTEOSA-N 3 0 282.476 1.075 10 0 CDAERP C[C@@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000055131566 524685309 /nfs/dbraw/zinc/68/53/09/524685309.db2.gz KOOAGPATEBVBFW-RQJABVFESA-N 2 0 267.417 1.303 10 0 CDAERP C[C@H]([NH3+])[C@@H](c1cccs1)N1CCN(CC[NH+](C)C)CC1 ZINC000061642399 524838207 /nfs/dbraw/zinc/83/82/07/524838207.db2.gz RKROKLISHJMVGO-ZFWWWQNUSA-N 2 0 296.484 1.316 10 0 CDAERP C[C@@H](C[C@@](C)([NH3+])C(=O)[O-])[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000068644119 524851124 /nfs/dbraw/zinc/85/11/24/524851124.db2.gz JNLGSKVXLMQCGF-XJKSGUPXSA-N 2 0 297.443 1.375 10 0 CDAERP Cc1ccc(NCC[NH+]2CCN(CC[NH+](C)C)CC2)cc1 ZINC000061655402 525279469 /nfs/dbraw/zinc/27/94/69/525279469.db2.gz XEPDHGUYBMTKHY-UHFFFAOYSA-N 2 0 290.455 1.586 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000246578254 525379751 /nfs/dbraw/zinc/37/97/51/525379751.db2.gz VLHGZJIMVMZUSC-LXTVHRRPSA-N 2 0 295.471 1.987 10 0 CDAERP Cc1cc([C@H](C[NH3+])N2CC[NH+](C3CC3)CC2)ccc1F ZINC000050546347 525536938 /nfs/dbraw/zinc/53/69/38/525536938.db2.gz BFHZUSODMVIVJO-INIZCTEOSA-N 2 0 277.387 1.914 10 0 CDAERP C[C@@]([NH3+])(CN1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000052883490 525751031 /nfs/dbraw/zinc/75/10/31/525751031.db2.gz BLPBXXAEWHJQFN-QGZVFWFLSA-N 2 0 273.424 1.888 10 0 CDAERP Cc1ccc(C(N)=[NH2+])c(N2CCC[C@@H]2C[NH+](C)C)n1 ZINC000061644643 526013124 /nfs/dbraw/zinc/01/31/24/526013124.db2.gz GTMWVSLHCCWOKU-LLVKDONJSA-N 2 0 261.373 1.204 10 0 CDAERP [NH3+]CC[C@@H]1CCC[C@@H](C(=O)NCC[NH+]2CCCC2)C1 ZINC000055160844 527193064 /nfs/dbraw/zinc/19/30/64/527193064.db2.gz OMSSSAJJBHWATN-UONOGXRCSA-N 2 0 267.417 1.354 10 0 CDAERP [NH3+]C[C@H]1CCC[C@@H](C(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000055161012 527234960 /nfs/dbraw/zinc/23/49/60/527234960.db2.gz CEFNCGCCKMUJFH-LSDHHAIUSA-N 2 0 293.455 1.838 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H](C(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000055161014 527235045 /nfs/dbraw/zinc/23/50/45/527235045.db2.gz CEFNCGCCKMUJFH-GJZGRUSLSA-N 2 0 293.455 1.838 10 0 CDAERP [NH3+]Cc1cc(CN2CC[C@@H]([NH+]3CCCCC3)C2)ccn1 ZINC000068750596 527246728 /nfs/dbraw/zinc/24/67/28/527246728.db2.gz ZMZLWSFYGJJRNT-MRXNPFEDSA-N 2 0 274.412 1.601 10 0 CDAERP [NH3+]Cc1cn(CC[N@@H+]2CC[C@H](c3ccccc3)C2)nn1 ZINC000052373097 527262320 /nfs/dbraw/zinc/26/23/20/527262320.db2.gz AENBODRVTGFAJD-AWEZNQCLSA-N 2 0 271.368 1.226 10 0 CDAERP [NH3+]Cc1occc1CN1CC[NH+](C2CCCC2)CC1 ZINC000052573502 527268808 /nfs/dbraw/zinc/26/88/08/527268808.db2.gz YVTDBNJNZBUTIA-UHFFFAOYSA-N 2 0 263.385 1.799 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CC[NH2+]C[C@H]2C)C1 ZINC000417892737 528025772 /nfs/dbraw/zinc/02/57/72/528025772.db2.gz ROUGPDCOQCNHIC-KFWWJZLASA-N 2 0 296.459 1.262 10 0 CDAERP CC[N@H+](CCNC(=O)N[C@@H](C)[C@H](C)[NH3+])CCC(F)(F)F ZINC000418082379 528495921 /nfs/dbraw/zinc/49/59/21/528495921.db2.gz XLVVWPHICFUAIO-UWVGGRQHSA-N 2 0 298.353 1.296 10 0 CDAERP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000262674256 535547801 /nfs/dbraw/zinc/54/78/01/535547801.db2.gz QSRDJIMCXKZTLK-QLFBSQMISA-N 2 0 297.443 1.073 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000333635134 545547025 /nfs/dbraw/zinc/54/70/25/545547025.db2.gz TTXXVOMRYNQVLB-DOMZBBRYSA-N 2 0 294.443 1.158 10 0 CDAERP CC[NH2+]Cc1ccccc1NC(=O)[C@@H]([NH3+])COC(C)C ZINC000659305039 574863719 /nfs/dbraw/zinc/86/37/19/574863719.db2.gz XYHWYSJRTFMYRA-ZDUSSCGKSA-N 2 0 279.384 1.487 10 0 CDAERP CC[NH+]1CCC2(C[NH2+]C[C@H]2C(=O)OC(C)(C)C)CC1 ZINC000757183302 577034152 /nfs/dbraw/zinc/03/41/52/577034152.db2.gz AXGUKVVMKYWZPP-LBPRGKRZSA-N 2 0 268.401 1.650 10 0 CDAERP O[C@@H](C[NH+]1CCCC1)C[NH+]1CCC(C2CCOCC2)CC1 ZINC000752148758 577090819 /nfs/dbraw/zinc/09/08/19/577090819.db2.gz YPGRXPXUAMJGFS-KRWDZBQOSA-N 2 0 296.455 1.582 10 0 CDAERP C[C@@H]1COC[C@@H](C)C1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000926358463 617499060 /nfs/dbraw/zinc/49/90/60/617499060.db2.gz ZDLYZEINDSDDLB-ZIAGYGMSSA-N 2 0 283.460 1.273 10 0 CDAERP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@H]1CC[N@H+](CC3CC3)C1)[NH2+]2 ZINC000925558703 617509288 /nfs/dbraw/zinc/50/92/88/617509288.db2.gz VQHQGDFHZXOTLD-DZQJYWQESA-N 2 0 263.429 1.589 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCOC[C@@H]2CCOC2)C1 ZINC000925568932 617517320 /nfs/dbraw/zinc/51/73/20/617517320.db2.gz YLZXYDYVQBERPX-MGPQQGTHSA-N 2 0 270.417 1.535 10 0 CDAERP Cn1cc(CCC[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)cn1 ZINC000925578697 617526227 /nfs/dbraw/zinc/52/62/27/617526227.db2.gz YBADGORBOOVXII-ZNMIVQPWSA-N 2 0 276.428 1.719 10 0 CDAERP CC[C@](C)(O)C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925608555 617553206 /nfs/dbraw/zinc/55/32/06/617553206.db2.gz FCXMAYUVVVGVHK-ILXRZTDVSA-N 2 0 254.418 1.905 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]CCc2cnc(C3CC3)nc2)C12CCC2 ZINC000925625226 617572056 /nfs/dbraw/zinc/57/20/56/617572056.db2.gz GZJDESZUPIZULF-KGLIPLIRSA-N 2 0 272.396 1.756 10 0 CDAERP C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000811172375 617958674 /nfs/dbraw/zinc/95/86/74/617958674.db2.gz VRBFWPMEISFZOR-CJNGLKHVSA-N 2 0 299.434 1.799 10 0 CDAERP C[NH+](C)C[C@@H]1CC[N@H+](CC[C@@H]2COC(C)(C)O2)C1 ZINC000851771673 617645558 /nfs/dbraw/zinc/64/55/58/617645558.db2.gz MAFGQZAHHCNROL-QWHCGFSZSA-N 2 0 256.390 1.412 10 0 CDAERP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)C(C)(C)n1cncn1 ZINC000925775976 617667891 /nfs/dbraw/zinc/66/78/91/617667891.db2.gz IUVIPAZWGWZXRS-WDEREUQCSA-N 2 0 287.358 1.236 10 0 CDAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925799744 617731348 /nfs/dbraw/zinc/73/13/48/617731348.db2.gz ZSRLLBIXJVLIBF-YRGRVCCFSA-N 3 0 276.428 1.745 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@](C)(O)c1cccc(F)c1 ZINC000925820630 617787062 /nfs/dbraw/zinc/78/70/62/617787062.db2.gz GGNQQIZPYJFXGF-LSDHHAIUSA-N 2 0 284.375 1.377 10 0 CDAERP C1CC2(C1)C[C@H](N[C@H]1CC[NH2+]C13CCCC3)CC[NH2+]2 ZINC000925711410 617807972 /nfs/dbraw/zinc/80/79/72/617807972.db2.gz YYQVNXVWRWPADP-KGLIPLIRSA-N 2 0 263.429 1.925 10 0 CDAERP C[N@H+]1CC=C(C[NH2+][C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000925711492 617807996 /nfs/dbraw/zinc/80/79/96/617807996.db2.gz ZRXZGIFIWSVUSW-CVEARBPZSA-N 2 0 263.429 1.855 10 0 CDAERP CC1(C)[C@H]([NH2+][C@H]2CO[C@H](C3CC3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925716348 617833885 /nfs/dbraw/zinc/83/38/85/617833885.db2.gz DKINAFQZOPVOCJ-NIFZNCRKSA-N 2 0 264.413 1.920 10 0 CDAERP Cc1cc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)nn1C ZINC000925830520 617849361 /nfs/dbraw/zinc/84/93/61/617849361.db2.gz AOPZHLJIWBWEAC-XHSDSOJGSA-N 2 0 276.428 1.781 10 0 CDAERP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccnn1C ZINC000925729081 617997616 /nfs/dbraw/zinc/99/76/16/617997616.db2.gz OWKACEYLFDDMKV-SRVKXCTJSA-N 2 0 250.390 1.977 10 0 CDAERP O=C1C[C@@H]([C@@H]2CCCC[N@@H+]2CCC[NH2+]C2CC2)CN1 ZINC000923372882 618323133 /nfs/dbraw/zinc/32/31/33/618323133.db2.gz JUOVTJUGPNSNGV-OCCSQVGLSA-N 2 0 265.401 1.119 10 0 CDAERP CC(C)OCC[C@H](O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000923428088 618334861 /nfs/dbraw/zinc/33/48/61/618334861.db2.gz WDIRCTLNRVIDKF-GRYCIOLGSA-N 2 0 298.349 1.231 10 0 CDAERP CCN1CC[NH+](CCCC[NH2+][C@H]2CN3C[C@@H]2CCC3)CC1 ZINC000924661179 621639842 /nfs/dbraw/zinc/63/98/42/621639842.db2.gz SADUOBWFXRLITC-IRXDYDNUSA-N 2 0 294.487 1.088 10 0 CDAERP COC1CC[NH+](C(C)(C)CNC(=[NH2+])N[C@@H](C)C2CC2)CC1 ZINC000899267919 622145140 /nfs/dbraw/zinc/14/51/40/622145140.db2.gz YKNNRDWICXVQQV-LBPRGKRZSA-N 2 0 296.459 1.788 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)C1CCCC1 ZINC000900589520 623266112 /nfs/dbraw/zinc/26/61/12/623266112.db2.gz XPMWZMCNDFTPOW-CVEARBPZSA-N 2 0 293.455 1.994 10 0 CDAERP CC[C@@H](C[NH+]1CCCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC000900732777 623428271 /nfs/dbraw/zinc/42/82/71/623428271.db2.gz ZXXVIANHEYKCFF-ZDUSSCGKSA-N 2 0 265.401 1.073 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000903442470 625997229 /nfs/dbraw/zinc/99/72/29/625997229.db2.gz RVDKITYSNUXPKT-PMPSAXMXSA-N 2 0 265.445 1.792 10 0 CDAERP C(C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1)OC1CC1 ZINC000903474041 626004699 /nfs/dbraw/zinc/00/46/99/626004699.db2.gz GIRHSVPJSHDKIZ-HNNXBMFYSA-N 2 0 268.401 1.256 10 0 CDAERP COc1cccc([C@H]2C[NH2+]CCN2C[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000903482389 626006712 /nfs/dbraw/zinc/00/67/12/626006712.db2.gz FXBZSLUSVCZFMY-UKPHBRMFSA-N 2 0 289.423 1.769 10 0 CDAERP C[C@@H]1C[N@H+](Cc2cc(-c3cnn(C)c3)no2)C[C@H]1CC[NH3+] ZINC000903500098 626009193 /nfs/dbraw/zinc/00/91/93/626009193.db2.gz SGEHNKOQPVWPMI-VXGBXAGGSA-N 2 0 289.383 1.492 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](C[C@@H](OC)C1CCC1)C2 ZINC000903494360 626011371 /nfs/dbraw/zinc/01/13/71/626011371.db2.gz DSFDYIGASHQFCE-NHIYQJMISA-N 2 0 296.411 1.014 10 0 CDAERP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)[N@@H+]1CCOCC2(CCC2)C1 ZINC000903759488 626081004 /nfs/dbraw/zinc/08/10/04/626081004.db2.gz QIBJCCJKZGUVIL-ZBFHGGJFSA-N 2 0 280.412 1.258 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCCC[C@H]2C)cnn1C ZINC000903872527 626127454 /nfs/dbraw/zinc/12/74/54/626127454.db2.gz GFHQTUBHGSFGIJ-TZMCWYRMSA-N 2 0 264.417 1.720 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903874027 626128078 /nfs/dbraw/zinc/12/80/78/626128078.db2.gz QUPVGKQNZMODNU-CYBMUJFWSA-N 2 0 252.406 1.578 10 0 CDAERP C[C@@H](C1CC1)[N@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903884130 626132594 /nfs/dbraw/zinc/13/25/94/626132594.db2.gz SIZDQFRFTYIJFN-WCQYABFASA-N 2 0 263.389 1.433 10 0 CDAERP CCN1CCCC[C@H]1C[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903923242 626148141 /nfs/dbraw/zinc/14/81/41/626148141.db2.gz OSDCDZGBGOFLKG-UYTSQGDYSA-N 2 0 265.445 1.981 10 0 CDAERP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@@H+]1CCCC2(CC2)CC1 ZINC000903935079 626153525 /nfs/dbraw/zinc/15/35/25/626153525.db2.gz LZDQIDSZAUBVNN-CQSZACIVSA-N 2 0 289.427 1.969 10 0 CDAERP FC1(F)CC[NH2+]C[C@H]1C[NH2+]C[C@H]1CCSC1 ZINC000903956718 626167194 /nfs/dbraw/zinc/16/71/94/626167194.db2.gz NFAFYUJYNRDFAR-ZJUUUORDSA-N 2 0 250.358 1.574 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC1(C)CCC1)C2 ZINC000903977493 626170067 /nfs/dbraw/zinc/17/00/67/626170067.db2.gz QKQRXJCDOZLMKF-ZOWXZIJZSA-N 2 0 266.385 1.389 10 0 CDAERP CC(C)(C)[NH2+]CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903980105 626170443 /nfs/dbraw/zinc/17/04/43/626170443.db2.gz HNOVUUAFWRGALA-IYBDPMFKSA-N 3 0 294.487 1.275 10 0 CDAERP COc1cc(C)c(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc1OC ZINC000903964275 626171375 /nfs/dbraw/zinc/17/13/75/626171375.db2.gz HJRPIJXJPXZBEV-OCCSQVGLSA-N 2 0 278.396 1.957 10 0 CDAERP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc1OC ZINC000903965172 626171767 /nfs/dbraw/zinc/17/17/67/626171767.db2.gz YZBCJIZYVLOCGV-YPMHNXCESA-N 2 0 264.369 1.649 10 0 CDAERP C[NH+](C)CC(C)(C)CNC(=[NH2+])NC[C@H]1CCCS1 ZINC000905041896 626381202 /nfs/dbraw/zinc/38/12/02/626381202.db2.gz NQIOBHUYAPKCOF-LLVKDONJSA-N 2 0 272.462 1.584 10 0 CDAERP CN(C)c1cc(N2CCC[C@H]3C[NH2+]CC[C@H]32)ncn1 ZINC000906093177 627115401 /nfs/dbraw/zinc/11/54/01/627115401.db2.gz CUFXCMRKZOVVDF-NWDGAFQWSA-N 2 0 261.373 1.121 10 0 CDAERP CN(CC1C[NH+](C)C1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC000912455400 630024191 /nfs/dbraw/zinc/02/41/91/630024191.db2.gz YICBIVXHKLMPJM-UHFFFAOYSA-N 2 0 267.417 1.271 10 0 CDAERP C[NH+]1C[C@@]2(C)CN(C(=O)CC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC000913282167 630433142 /nfs/dbraw/zinc/43/31/42/630433142.db2.gz ZGLCYDBJHHPGCA-IRXDYDNUSA-N 2 0 293.455 1.519 10 0 CDAERP CC[NH+](CC)CCSCC(=O)NC12CC[NH+](CC1)C2 ZINC000913631461 630716095 /nfs/dbraw/zinc/71/60/95/630716095.db2.gz WQHWYCFQSDBVEE-UHFFFAOYSA-N 2 0 285.457 1.026 10 0 CDAERP CC(C)[NH+](CCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1C)C(C)C ZINC000913858833 630841970 /nfs/dbraw/zinc/84/19/70/630841970.db2.gz CMZWPGJEKJEQOU-KBPBESRZSA-N 2 0 284.448 1.497 10 0 CDAERP CN(CC[NH2+]C[C@@H]1CCCCO1)C(=O)C1([NH+](C)C)CCC1 ZINC001266724417 1158790573 /nfs/dbraw/zinc/79/05/73/1158790573.db2.gz NSOCAJMNUQZKLG-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)CC[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001691317283 1159014081 /nfs/dbraw/zinc/01/40/81/1159014081.db2.gz QZJHAEJLDHIGBW-OAHLLOKOSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@H](O)C[NH2+]CCN(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001691409204 1159056587 /nfs/dbraw/zinc/05/65/87/1159056587.db2.gz ZEWWZFQYGIJRDH-AWEZNQCLSA-N 2 0 299.459 1.070 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001625876094 1159124101 /nfs/dbraw/zinc/12/41/01/1159124101.db2.gz QEUMJAYIFJWQIK-HZSPNIEDSA-N 2 0 267.417 1.317 10 0 CDAERP CCC[NH2+]C/C=C\CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001268552105 1159968338 /nfs/dbraw/zinc/96/83/38/1159968338.db2.gz JMZXCGFRTRQJAI-WSNITJDQSA-N 2 0 267.417 1.533 10 0 CDAERP CCOCC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001671402803 1161394442 /nfs/dbraw/zinc/39/44/42/1161394442.db2.gz DRRMVRMYHNMUOV-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N[C@H]3CC[NH+](C)[C@@H]3C)C[N@@H+]2C1 ZINC001649350006 1161524281 /nfs/dbraw/zinc/52/42/81/1161524281.db2.gz XMVLNGJFBIGNGJ-MRLBHPIUSA-N 2 0 279.428 1.316 10 0 CDAERP CCN(CC[NH2+]C[C@H]1CC[C@H](C)O1)C(=O)C[N@H+](C)C(C)C ZINC001320929203 1166646291 /nfs/dbraw/zinc/64/62/91/1166646291.db2.gz QUEUYLPUBJVILY-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP CCCCC[NH+]1CC(N(C)C(=O)CCc2cncn2C)C1 ZINC001671192329 1167007808 /nfs/dbraw/zinc/00/78/08/1167007808.db2.gz AULXHWLEQMUPNM-UHFFFAOYSA-N 2 0 292.427 1.686 10 0 CDAERP CC[NH+](CC)CC[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC001646947808 1168280533 /nfs/dbraw/zinc/28/05/33/1168280533.db2.gz ANVQXYRJERNICR-MELADBBJSA-N 2 0 284.448 1.499 10 0 CDAERP CC[C@@H](C(=O)NCCC[N@H+](C)CC=C(C)C)[NH+](C)C ZINC001566492632 1168309020 /nfs/dbraw/zinc/30/90/20/1168309020.db2.gz NYUXCEXFWHXLJN-AWEZNQCLSA-N 2 0 269.433 1.731 10 0 CDAERP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@@H](C[NH2+]CCF)C1 ZINC001566893548 1168458732 /nfs/dbraw/zinc/45/87/32/1168458732.db2.gz JVNNPNALGNNHMH-ZFWWWQNUSA-N 2 0 297.418 1.126 10 0 CDAERP CC(C)[NH2+]C[C@@](C)(NC(=O)CC[NH+](C)C)C1CC1 ZINC001568028124 1169122254 /nfs/dbraw/zinc/12/22/54/1169122254.db2.gz PIVIFFMNSYUVAI-CQSZACIVSA-N 2 0 255.406 1.221 10 0 CDAERP CC(C)CC[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001569188631 1169711512 /nfs/dbraw/zinc/71/15/12/1169711512.db2.gz KHCZPYPUOOOHFN-CQSZACIVSA-N 2 0 269.433 1.565 10 0 CDAERP COCCCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001569362438 1169802336 /nfs/dbraw/zinc/80/23/36/1169802336.db2.gz ARNFOEFUKRYVPE-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]CCCF ZINC001569847659 1170016507 /nfs/dbraw/zinc/01/65/07/1170016507.db2.gz WIYSGNVQNVCWJT-DZGCQCFKSA-N 2 0 299.434 1.372 10 0 CDAERP CCCC[C@H](C[NH2+]CCF)NC(=O)C12CCC[NH+]1CCC2 ZINC001570810277 1170284809 /nfs/dbraw/zinc/28/48/09/1170284809.db2.gz MEOIIVULRDBSRW-CQSZACIVSA-N 2 0 299.434 1.849 10 0 CDAERP C[C@H](O)CCC[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001655922816 1171743235 /nfs/dbraw/zinc/74/32/35/1171743235.db2.gz VMFDIMXCMGSGEO-HRCADAONSA-N 2 0 266.429 1.955 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001661512197 1172400325 /nfs/dbraw/zinc/40/03/25/1172400325.db2.gz YNAYMJKIBXTQDE-RBSFLKMASA-N 2 0 281.444 1.898 10 0 CDAERP CC/C=C/CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001661690446 1172427232 /nfs/dbraw/zinc/42/72/32/1172427232.db2.gz OUSVVNJTRDGRAS-JRIJJQDJSA-N 2 0 281.444 1.920 10 0 CDAERP Cc1oncc1C[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001664169846 1172819959 /nfs/dbraw/zinc/81/99/59/1172819959.db2.gz REZZKPDBHRKSHU-CQSZACIVSA-N 2 0 296.415 1.117 10 0 CDAERP C[C@@H](C[NH2+]CCC(C)(C)C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001667054891 1173227846 /nfs/dbraw/zinc/22/78/46/1173227846.db2.gz UPAULVLGXAHCLC-KBPBESRZSA-N 2 0 283.460 1.811 10 0 CDAERP CCN(CC[NH2+]C/C=C\Cl)C(=O)CC[NH+](C)C ZINC001668542569 1173425756 /nfs/dbraw/zinc/42/57/56/1173425756.db2.gz RHZHEMNNXKGKOF-ALCCZGGFSA-N 2 0 261.797 1.129 10 0 CDAERP CC[NH2+]C/C=C\CNC(=O)c1ccccc1CC[NH+](C)C ZINC001668954881 1173482582 /nfs/dbraw/zinc/48/25/82/1173482582.db2.gz ACMLPILQACNGHQ-FPLPWBNLSA-N 2 0 289.423 1.686 10 0 CDAERP CC/C=C/CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001669293912 1173533378 /nfs/dbraw/zinc/53/33/78/1173533378.db2.gz UKRSPSPLFMHQOC-ATQQARJTSA-N 2 0 293.455 1.779 10 0 CDAERP CC[C@@H](C)C[NH2+]C1(CNC(=O)CC[NH+](C)C)CCC1 ZINC001673205841 1173836040 /nfs/dbraw/zinc/83/60/40/1173836040.db2.gz HXFRPOOIQUTCED-CYBMUJFWSA-N 2 0 269.433 1.613 10 0 CDAERP CC(C)[NH2+][C@@H](C)CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001674199301 1173923826 /nfs/dbraw/zinc/92/38/26/1173923826.db2.gz AEQAMQOWKNOQHU-KBPBESRZSA-N 2 0 269.433 1.754 10 0 CDAERP CCCC[NH2+]CC(C)(C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001674869578 1174018037 /nfs/dbraw/zinc/01/80/37/1174018037.db2.gz NBMPZVQRVMPAKW-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CCCCC[NH+]1CC([C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001675359679 1174106602 /nfs/dbraw/zinc/10/66/02/1174106602.db2.gz KEJPDCSDFUEEDE-CABCVRRESA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H]1[C@H]([NH2+]CCCCCF)CCN1C(=O)CC[NH+](C)C ZINC001676668789 1174253897 /nfs/dbraw/zinc/25/38/97/1174253897.db2.gz PIIZBCHUQCJKFF-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP CC/C=C\CC[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001689793100 1175253249 /nfs/dbraw/zinc/25/32/49/1175253249.db2.gz ABBHKOZJJAJLQP-YVACAVLKSA-N 2 0 281.444 1.875 10 0 CDAERP CC[N@H+](CCCNC(=O)C[NH+]1CCCC1)CC(C)C ZINC001689969713 1175326066 /nfs/dbraw/zinc/32/60/66/1175326066.db2.gz PAZCNHWUFUKJKQ-UHFFFAOYSA-N 2 0 269.433 1.566 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001690288943 1175426095 /nfs/dbraw/zinc/42/60/95/1175426095.db2.gz OQSYKMWIBRPLMT-JOCQHMNTSA-N 2 0 255.406 1.221 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001691794791 1175627022 /nfs/dbraw/zinc/62/70/22/1175627022.db2.gz OPSDEVOTMKWQGV-RBSFLKMASA-N 2 0 281.444 1.755 10 0 CDAERP O=C(CCCC[NH+]1CCCC1)NC1C[NH+](CCC2CC2)C1 ZINC001692270904 1175720416 /nfs/dbraw/zinc/72/04/16/1175720416.db2.gz SYLOPNGHJSZKQK-UHFFFAOYSA-N 2 0 293.455 1.853 10 0 CDAERP COCCCC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001698574359 1175850643 /nfs/dbraw/zinc/85/06/43/1175850643.db2.gz FEUFSXYYOAZBKR-OAHLLOKOSA-N 2 0 299.459 1.286 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC(CC[NH2+]CC3CC3)CC2)C1 ZINC001698702505 1175898130 /nfs/dbraw/zinc/89/81/30/1175898130.db2.gz MMQXQBAVSJIWDM-MRXNPFEDSA-N 2 0 293.455 1.566 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001698773949 1175927903 /nfs/dbraw/zinc/92/79/03/1175927903.db2.gz YKSHUWSDWQCSDB-CYBMUJFWSA-N 2 0 267.417 1.080 10 0 CDAERP C[C@H](CC[NH2+]Cc1cncs1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001699087490 1176083234 /nfs/dbraw/zinc/08/32/34/1176083234.db2.gz IHSKPPHWZKSONR-YPMHNXCESA-N 2 0 296.440 1.222 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)CC[NH2+]C/C=C/Cl ZINC001699158597 1176117039 /nfs/dbraw/zinc/11/70/39/1176117039.db2.gz HARWAONRANLKMN-HOSRBBHYSA-N 2 0 275.824 1.564 10 0 CDAERP CCN(CC[NH2+]Cc1cncs1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001699217127 1176143304 /nfs/dbraw/zinc/14/33/04/1176143304.db2.gz RAROGSJDINULFY-GFCCVEGCSA-N 2 0 296.440 1.033 10 0 CDAERP CCN(CC[NH2+]CCCF)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001699220119 1176145801 /nfs/dbraw/zinc/14/58/01/1176145801.db2.gz MVKFYLNNFKMZMH-AWEZNQCLSA-N 2 0 287.423 1.659 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001699375802 1176332551 /nfs/dbraw/zinc/33/25/51/1176332551.db2.gz MDRKRWZZNMTUSZ-ILXRZTDVSA-N 2 0 281.444 1.777 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]1CCC(C)C ZINC001699636587 1176533366 /nfs/dbraw/zinc/53/33/66/1176533366.db2.gz GCCKDSDVQVSWBE-CQSZACIVSA-N 2 0 269.433 1.565 10 0 CDAERP C[NH+](C)CCCC(=O)N1CCC[C@H]1C[NH2+]C/C=C\Cl ZINC001699757570 1176609304 /nfs/dbraw/zinc/60/93/04/1176609304.db2.gz WSOHTAZZCIOACA-UJZCVKTISA-N 2 0 287.835 1.661 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC2CC(C[NH2+]C/C=C/Cl)C2)C1 ZINC001700380593 1176886605 /nfs/dbraw/zinc/88/66/05/1176886605.db2.gz DNPVGZHGUGFAKV-URETYVPKSA-N 2 0 299.846 1.565 10 0 CDAERP CCCCC[NH+]1CC([C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001700544450 1177007327 /nfs/dbraw/zinc/00/73/27/1177007327.db2.gz ATZNFJXBIKRZJG-CQSZACIVSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001700644158 1177053024 /nfs/dbraw/zinc/05/30/24/1177053024.db2.gz LWHBWYDJZMJBJO-RBSFLKMASA-N 2 0 279.428 1.389 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CC2CC2)C[C@@H]1C ZINC001700853910 1177166144 /nfs/dbraw/zinc/16/61/44/1177166144.db2.gz OEPHDUJGELDYEJ-JSGCOSHPSA-N 2 0 267.417 1.316 10 0 CDAERP C[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)CC1CC1 ZINC001707384790 1178010633 /nfs/dbraw/zinc/01/06/33/1178010633.db2.gz FJSZGRNMVSCNBS-CQSZACIVSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@H]([NH2+]CCCF)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001707445307 1178048892 /nfs/dbraw/zinc/04/88/92/1178048892.db2.gz UBLDDQHGKHPYQP-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CC[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)CC2CCCC2)C1 ZINC000232129084 1178185899 /nfs/dbraw/zinc/18/58/99/1178185899.db2.gz ZQYHCXRTIRVWOQ-CABCVRRESA-N 2 0 254.418 1.859 10 0 CDAERP c1nc2cnccn2c1C[NH2+]CCCNc1ccccn1 ZINC000156973508 1178195367 /nfs/dbraw/zinc/19/53/67/1178195367.db2.gz BSZDDXPQLGXQRS-UHFFFAOYSA-N 2 0 282.351 1.716 10 0 CDAERP C[N@H+](CCCNC(=O)C[NH+]1CCCC1)CC[C@H]1CCCO1 ZINC001712988198 1178287074 /nfs/dbraw/zinc/28/70/74/1178287074.db2.gz BDSDSULGPYHUCF-OAHLLOKOSA-N 2 0 297.443 1.089 10 0 CDAERP CCCC[NH2+][C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001713108941 1178372293 /nfs/dbraw/zinc/37/22/93/1178372293.db2.gz OHBDSSGFLRUQMD-HOTGVXAUSA-N 2 0 293.455 1.613 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001713205832 1178431598 /nfs/dbraw/zinc/43/15/98/1178431598.db2.gz SHGSIZGXJBMGFN-MELADBBJSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCCC(C)(C)C ZINC001713339353 1178508256 /nfs/dbraw/zinc/50/82/56/1178508256.db2.gz HGAKZJQRYLZMGT-UONOGXRCSA-N 2 0 283.460 1.859 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001713540887 1178634968 /nfs/dbraw/zinc/63/49/68/1178634968.db2.gz DDILCVYJRFOXLB-MJSXRHKHSA-N 2 0 293.455 1.877 10 0 CDAERP CC/C=C/CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001713883436 1178814242 /nfs/dbraw/zinc/81/42/42/1178814242.db2.gz BXYKDDMZZSVELE-FZZYSBJUSA-N 2 0 293.455 1.779 10 0 CDAERP CC(C)OCC[NH2+][C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001714279756 1179061955 /nfs/dbraw/zinc/06/19/55/1179061955.db2.gz YGPHGIJPLJXVMC-CQSZACIVSA-N 2 0 299.459 1.238 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+]CC[C@@H](C)F)C1 ZINC001714374912 1179110441 /nfs/dbraw/zinc/11/04/41/1179110441.db2.gz PZCWIDKUOYGMSQ-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001714499062 1179172160 /nfs/dbraw/zinc/17/21/60/1179172160.db2.gz GZFMIMPDPMBXRT-ZIAGYGMSSA-N 2 0 267.417 1.389 10 0 CDAERP C[C@H](F)CC[NH2+]CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001714716764 1179355908 /nfs/dbraw/zinc/35/59/08/1179355908.db2.gz NFTORVBNPSRROK-LBPRGKRZSA-N 2 0 273.396 1.267 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]CCOC(C)C ZINC001714798805 1179402474 /nfs/dbraw/zinc/40/24/74/1179402474.db2.gz WHOWPERDCQPBPH-HNNXBMFYSA-N 2 0 299.459 1.334 10 0 CDAERP C[NH+](C)CCC(=O)N[C@](C)(C[NH2+]C/C=C\Cl)C1CC1 ZINC001715119141 1179557833 /nfs/dbraw/zinc/55/78/33/1179557833.db2.gz SGFAJLUBBPPQIZ-SMGNDMQFSA-N 2 0 287.835 1.565 10 0 CDAERP CC[NH2+]CCC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001715178137 1179570148 /nfs/dbraw/zinc/57/01/48/1179570148.db2.gz DWUHFJUMBFVQFR-CQSZACIVSA-N 2 0 267.417 1.176 10 0 CDAERP CCOCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001715312624 1179618357 /nfs/dbraw/zinc/61/83/57/1179618357.db2.gz CAFZMSDRBOFRLA-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP CCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001715325985 1179624529 /nfs/dbraw/zinc/62/45/29/1179624529.db2.gz DLENDDZAOCZMQA-UKRRQHHQSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCCF ZINC001715729137 1179782287 /nfs/dbraw/zinc/78/22/87/1179782287.db2.gz MOQCSHQXSYTJFX-STQMWFEESA-N 2 0 273.396 1.028 10 0 CDAERP O=C(NC/C=C\C[NH2+]CC1CCC1)C12CCC[NH+]1CCC2 ZINC001715846388 1179866115 /nfs/dbraw/zinc/86/61/15/1179866115.db2.gz XIPJREHKOYURHF-UPHRSURJSA-N 2 0 291.439 1.677 10 0 CDAERP C[C@@H](F)CC[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001715850072 1179869384 /nfs/dbraw/zinc/86/93/84/1179869384.db2.gz DXGKIMZLQJPIQF-CDJBXZAQSA-N 2 0 271.380 1.091 10 0 CDAERP CC(C)=CC[NH+](C)CCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001715960542 1179941868 /nfs/dbraw/zinc/94/18/68/1179941868.db2.gz VTBBBEZVFZWZPS-OAHLLOKOSA-N 2 0 281.444 1.685 10 0 CDAERP CC(C)=CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001716139559 1180068883 /nfs/dbraw/zinc/06/88/83/1180068883.db2.gz COGICJJBRRSMJO-GOEBONIOSA-N 2 0 293.455 1.779 10 0 CDAERP C[C@@H](CC[NH2+]CC1CC(C)(C)C1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001716196572 1180092279 /nfs/dbraw/zinc/09/22/79/1180092279.db2.gz SXHKKAJFNQSJML-DZGCQCFKSA-N 2 0 295.471 1.859 10 0 CDAERP O=C(C[NH+]1CCCC1)NC/C=C/C[NH2+]Cc1ccns1 ZINC001716375102 1180172628 /nfs/dbraw/zinc/17/26/28/1180172628.db2.gz DAIWHPVIXXJTKY-OWOJBTEDSA-N 2 0 294.424 1.001 10 0 CDAERP C[C@H](C[NH2+]CCCCCF)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001716395289 1180184702 /nfs/dbraw/zinc/18/47/02/1180184702.db2.gz IYURHWVUYDYFRC-MGPQQGTHSA-N 2 0 287.423 1.561 10 0 CDAERP CCC[NH2+]C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001716452724 1180218440 /nfs/dbraw/zinc/21/84/40/1180218440.db2.gz NKROVXSGSXJSPQ-LBPRGKRZSA-N 2 0 257.422 1.469 10 0 CDAERP CC(C)C[NH2+]C[C@H](C)NC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001716455804 1180220379 /nfs/dbraw/zinc/22/03/79/1180220379.db2.gz KZPPKXREGRTLAT-RYUDHWBXSA-N 2 0 266.389 1.339 10 0 CDAERP CC[C@@H](C(=O)N(C)CCC[NH2+]C[C@@H]1CCCOC1)[NH+](C)C ZINC001716568799 1180288091 /nfs/dbraw/zinc/28/80/91/1180288091.db2.gz SMVDQTISAMWPHQ-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@@H](C(=O)N(C)CCC[NH2+]CC1CCC1)[NH+](C)C ZINC001716568042 1180288365 /nfs/dbraw/zinc/28/83/65/1180288365.db2.gz DTNUTSHBMWTQDM-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP CN(CCC[NH2+]CCC1CC1)C(=O)C[NH+]1CCCC1 ZINC001716585500 1180294217 /nfs/dbraw/zinc/29/42/17/1180294217.db2.gz OWFMMSPIMQZKII-UHFFFAOYSA-N 2 0 267.417 1.320 10 0 CDAERP CCC[NH2+]C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001716617627 1180308922 /nfs/dbraw/zinc/30/89/22/1180308922.db2.gz MZNNNHHWEFBUGV-AWEZNQCLSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]CCCCCF ZINC001717285305 1180604153 /nfs/dbraw/zinc/60/41/53/1180604153.db2.gz AEQKQRJQLWHWQD-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP CCCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001717304645 1180611660 /nfs/dbraw/zinc/61/16/60/1180611660.db2.gz NMLTYRQHTVKNSC-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001717754192 1180830330 /nfs/dbraw/zinc/83/03/30/1180830330.db2.gz LGXOVZUOQYKZII-GJZGRUSLSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001717754193 1180831676 /nfs/dbraw/zinc/83/16/76/1180831676.db2.gz LGXOVZUOQYKZII-HUUCEWRRSA-N 2 0 283.460 1.811 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CCCOC)[C@H]1C ZINC001717859726 1180897256 /nfs/dbraw/zinc/89/72/56/1180897256.db2.gz DOVSPRRZSDUSMT-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP CCOCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001717955706 1180947110 /nfs/dbraw/zinc/94/71/10/1180947110.db2.gz ODRXAMKFMKXKSE-KBPBESRZSA-N 2 0 299.459 1.238 10 0 CDAERP CC[NH2+]CCOCCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001718011830 1180968127 /nfs/dbraw/zinc/96/81/27/1180968127.db2.gz WTLLVGSFWNDPMW-HNNXBMFYSA-N 2 0 299.459 1.335 10 0 CDAERP CN(CCC[NH2+]CC1CCCC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001722993143 1181506551 /nfs/dbraw/zinc/50/65/51/1181506551.db2.gz QWMZGSBOGCRNFM-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]2C[NH2+]CCCF)CC[N@@H+]1C ZINC001723937916 1181625330 /nfs/dbraw/zinc/62/53/30/1181625330.db2.gz QHQKAOZNIBFQAY-KKUMJFAQSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001724269242 1181656353 /nfs/dbraw/zinc/65/63/53/1181656353.db2.gz URTUBYPSMIDKLY-ZFWWWQNUSA-N 2 0 267.417 1.175 10 0 CDAERP CC[NH2+]CC[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001724716090 1181732878 /nfs/dbraw/zinc/73/28/78/1181732878.db2.gz ROMBUKYXRWOVLE-ZDUSSCGKSA-N 2 0 267.417 1.319 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@H]1CC[C@H](C[NH2+]CCF)CC1 ZINC001724754493 1181741128 /nfs/dbraw/zinc/74/11/28/1181741128.db2.gz GRNBWBIJLWXKAW-HDJSIYSDSA-N 2 0 285.407 1.316 10 0 CDAERP COCCC[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001725173143 1181902927 /nfs/dbraw/zinc/90/29/27/1181902927.db2.gz NXDWOCMNYJFGHC-AWEZNQCLSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)CCC1CC1 ZINC001725193120 1181917518 /nfs/dbraw/zinc/91/75/18/1181917518.db2.gz OWBQROVHVAYUBR-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]CCF)C(C)(C)C ZINC001725746698 1182120593 /nfs/dbraw/zinc/12/05/93/1182120593.db2.gz GSWJBFZEZJQDEW-NSHDSACASA-N 2 0 261.385 1.028 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCCCCF)C1 ZINC001731655023 1182504181 /nfs/dbraw/zinc/50/41/81/1182504181.db2.gz UDUFMZBVNNLYKW-GJZGRUSLSA-N 2 0 299.434 1.659 10 0 CDAERP CCC/C=C/CC[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001731983696 1182714353 /nfs/dbraw/zinc/71/43/53/1182714353.db2.gz LHCQZRMKKBCASS-LQYUOIDQSA-N 2 0 281.444 1.733 10 0 CDAERP COCCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001732157166 1182819644 /nfs/dbraw/zinc/81/96/44/1182819644.db2.gz HIGLEGUTNSKQDH-GJZGRUSLSA-N 2 0 297.443 1.040 10 0 CDAERP CC[C@@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+]CCCOC ZINC001732204966 1182854481 /nfs/dbraw/zinc/85/44/81/1182854481.db2.gz OAZJKJALYQPQPG-AWEZNQCLSA-N 2 0 297.443 1.136 10 0 CDAERP C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C[NH2+]CCF ZINC001732349341 1182921202 /nfs/dbraw/zinc/92/12/02/1182921202.db2.gz RPUVXMVMHWWIPP-QWHCGFSZSA-N 2 0 273.396 1.172 10 0 CDAERP CC(C)OCC[NH2+]C[C@H](C)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001732447143 1182971002 /nfs/dbraw/zinc/97/10/02/1182971002.db2.gz DMFPHCZUHPDVBO-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCCOC)[C@@H](C)C1 ZINC001732495052 1182989338 /nfs/dbraw/zinc/98/93/38/1182989338.db2.gz LCFRPEVSSQUXNH-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)[NH2+][C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001732573261 1183016312 /nfs/dbraw/zinc/01/63/12/1183016312.db2.gz YWIZXUGZYYPIRP-UONOGXRCSA-N 2 0 269.433 1.467 10 0 CDAERP CCOCC[N@H+](C)CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001732597086 1183039406 /nfs/dbraw/zinc/03/94/06/1183039406.db2.gz GNTRRFSWZXFKIR-GASCZTMLSA-N 2 0 299.459 1.286 10 0 CDAERP CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)CC[C@H]21 ZINC001732607351 1183045116 /nfs/dbraw/zinc/04/51/16/1183045116.db2.gz NAFWOEHYRODFOB-ZIAGYGMSSA-N 2 0 267.417 1.271 10 0 CDAERP C[NH+](C)CCC(=O)NC/C=C/C[NH2+]CC1CC(F)(F)C1 ZINC001732892710 1183173982 /nfs/dbraw/zinc/17/39/82/1183173982.db2.gz BAWXNJWCHRWZND-ONEGZZNKSA-N 2 0 289.370 1.245 10 0 CDAERP CCC[NH2+]C/C=C/CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001732907917 1183179355 /nfs/dbraw/zinc/17/93/55/1183179355.db2.gz FZUABOXAWGUBDN-LQYUOIDQSA-N 2 0 281.444 1.923 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC[C@@H](C)F ZINC001732940560 1183191455 /nfs/dbraw/zinc/19/14/55/1183191455.db2.gz BIFDUZFMZFZLBK-XEVLESSRSA-N 2 0 299.434 1.871 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC/C=C\C[NH2+]Cc1ccccn1 ZINC001732943300 1183192907 /nfs/dbraw/zinc/19/29/07/1183192907.db2.gz OFLDOERQRLUHFE-SREVYHEPSA-N 2 0 290.411 1.184 10 0 CDAERP CC(C)C[NH2+]CCCN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001733144594 1183305809 /nfs/dbraw/zinc/30/58/09/1183305809.db2.gz VSDWAPPXCXZHDB-HNNXBMFYSA-N 2 0 299.459 1.049 10 0 CDAERP CCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001733528618 1183457576 /nfs/dbraw/zinc/45/75/76/1183457576.db2.gz NSMWYLLKXHFKDN-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001733553051 1183464754 /nfs/dbraw/zinc/46/47/54/1183464754.db2.gz PKMXEFPBNXGTAX-SHUKXNKTSA-N 2 0 295.471 1.979 10 0 CDAERP CN(CC(C)(C)C[NH2+]CCF)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001734022597 1183616882 /nfs/dbraw/zinc/61/68/82/1183616882.db2.gz AOUMOULABWSEML-INIZCTEOSA-N 2 0 299.434 1.516 10 0 CDAERP C[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CCF)C1)[NH+]1CCCCCC1 ZINC001734216016 1183694638 /nfs/dbraw/zinc/69/46/38/1183694638.db2.gz WYUISMIAMVDPTK-RBSFLKMASA-N 2 0 299.434 1.705 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001734353955 1183744736 /nfs/dbraw/zinc/74/47/36/1183744736.db2.gz GBVIENBGZRGULJ-ZDUSSCGKSA-N 2 0 255.406 1.175 10 0 CDAERP CCCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001734488578 1183797752 /nfs/dbraw/zinc/79/77/52/1183797752.db2.gz VMCHLXSPZOVOCA-HUUCEWRRSA-N 2 0 281.444 1.757 10 0 CDAERP C[C@@H](C(=O)N1c2ccccc2[C@H]([NH3+])C1(C)C)[C@H](C)[NH3+] ZINC000867986271 1164894102 /nfs/dbraw/zinc/89/41/02/1164894102.db2.gz APMCLQNPSDJRIY-NRUUGDAUSA-N 2 0 261.369 1.795 10 0 CDAERP NC(=O)CC1([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000921970250 742864262 /nfs/dbraw/zinc/86/42/62/742864262.db2.gz KCHDESNJTICYTJ-VXGBXAGGSA-N 2 0 251.374 1.001 10 0 CDAERP C([C@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1CCC[C@H]1C1CCC1 ZINC000923311935 742872960 /nfs/dbraw/zinc/87/29/60/742872960.db2.gz BRTLRTJMGHAJAW-KGLIPLIRSA-N 2 0 250.386 1.629 10 0 CDAERP C(c1noc(C2CC[NH2+]CC2)n1)C1CC[NH2+]CC1 ZINC000258206539 742886011 /nfs/dbraw/zinc/88/60/11/742886011.db2.gz ZOFBETADUMZNJB-UHFFFAOYSA-N 2 0 250.346 1.079 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@](C)(O)c1cccs1 ZINC000925107691 742889005 /nfs/dbraw/zinc/88/90/05/742889005.db2.gz BEKZBGJOVFXSCD-BNGAQMRFSA-N 2 0 280.437 1.885 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)C[C@@H]1CC(C)(C)OC1(C)C ZINC000709701211 742889486 /nfs/dbraw/zinc/88/94/86/742889486.db2.gz CUQWDVYIHUPMRA-ZDUSSCGKSA-N 2 0 272.433 1.748 10 0 CDAERP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3C[C@]34CCOC4)C[C@@H]2C1 ZINC000931442688 742894680 /nfs/dbraw/zinc/89/46/80/742894680.db2.gz LVUADUNVANQGBD-BARDWOONSA-N 2 0 250.386 1.297 10 0 CDAERP CC(C)C[NH+]1CCC([NH2+]C[C@@H](O)CC(C)(C)O)CC1 ZINC000872199824 743016260 /nfs/dbraw/zinc/01/62/60/743016260.db2.gz RNZCLGSWWJDZQP-AWEZNQCLSA-N 2 0 272.433 1.218 10 0 CDAERP CC(C)(O)C[N@@H+]1CC[C@H](Nc2cc[nH+]c3ccccc23)C1 ZINC000865999346 743046077 /nfs/dbraw/zinc/04/60/77/743046077.db2.gz PCUUOHQAFYRLBG-ZDUSSCGKSA-N 2 0 285.391 1.914 10 0 CDAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cnc(Cl)n1C ZINC000848547155 743056489 /nfs/dbraw/zinc/05/64/89/743056489.db2.gz KYUFBFSTHOQDRE-GFCCVEGCSA-N 2 0 299.850 1.189 10 0 CDAERP CC1(C)C[C@@H](CN2CCO[C@H](C[NH3+])C2)C(C)(C)O1 ZINC000709701152 743233348 /nfs/dbraw/zinc/23/33/48/743233348.db2.gz BWNPCKBYSVBXCD-NWDGAFQWSA-N 2 0 256.390 1.240 10 0 CDAERP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925684932 743245109 /nfs/dbraw/zinc/24/51/09/743245109.db2.gz FAAWLDADKFHPGA-RDBSUJKOSA-N 3 0 251.418 1.578 10 0 CDAERP CCN1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H](C)C1 ZINC000811524489 743341800 /nfs/dbraw/zinc/34/18/00/743341800.db2.gz LAGFBKQRVWOQNZ-CJNGLKHVSA-N 2 0 299.434 1.752 10 0 CDAERP O[C@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925691562 743348486 /nfs/dbraw/zinc/34/84/86/743348486.db2.gz NZJRKHSANYTGQB-HZSPNIEDSA-N 2 0 252.402 1.802 10 0 CDAERP Cc1csc(=O)n1CC[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923497328 743388659 /nfs/dbraw/zinc/38/86/59/743388659.db2.gz BMSGSKDIHLYOEK-PWSUYJOCSA-N 2 0 269.414 1.135 10 0 CDAERP COc1ccccc1[C@H](O)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000843342566 743448730 /nfs/dbraw/zinc/44/87/30/743448730.db2.gz NPXHSLHMVXSZNB-IXYNUQLISA-N 2 0 290.407 1.706 10 0 CDAERP C[C@@H]([NH2+]C1CCN(C[C@H]2CCCO2)CC1)C(C)(C)CO ZINC000925056859 743485370 /nfs/dbraw/zinc/48/53/70/743485370.db2.gz JMWVAMLXWFNFJL-UKRRQHHQSA-N 2 0 284.444 1.626 10 0 CDAERP O[C@H](C[NH2+][C@H](C1CCC1)[C@H]1CCOC1)C[NH+]1CCCC1 ZINC000711841712 743518808 /nfs/dbraw/zinc/51/88/08/743518808.db2.gz JVURGNOVKQSWRR-ARFHVFGLSA-N 2 0 282.428 1.238 10 0 CDAERP C[N@H+]1CC=C(C[NH2+]Cc2ccnn2C2CCC2)CC1 ZINC000921967636 743535624 /nfs/dbraw/zinc/53/56/24/743535624.db2.gz GSPQEAFVDBSADF-UHFFFAOYSA-N 2 0 260.385 1.960 10 0 CDAERP C[C@@H]1CCC[N@@H+]1CCN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925624375 743587671 /nfs/dbraw/zinc/58/76/71/743587671.db2.gz WNZLVTPHJFKJFB-ZIAGYGMSSA-N 2 0 251.418 1.735 10 0 CDAERP [NH3+]CCCCCCC[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000852754315 743604779 /nfs/dbraw/zinc/60/47/79/743604779.db2.gz DMTBJIKHCISZOD-AWEZNQCLSA-N 2 0 265.405 1.509 10 0 CDAERP COCC[N@H+](C)CCC[NH2+]C[C@H](O)c1cc(C)cc(C)c1 ZINC000818956906 744979169 /nfs/dbraw/zinc/97/91/69/744979169.db2.gz BGWVKUNQCIKGEL-KRWDZBQOSA-N 2 0 294.439 1.895 10 0 CDAERP c1[nH]nc2c1[C@@H]([NH2+]C[C@]13CCC[C@H]1[NH2+]CC3)CCC2 ZINC000925836569 745070347 /nfs/dbraw/zinc/07/03/47/745070347.db2.gz AGTGYHJZQULUEF-NWANDNLSSA-N 2 0 260.385 1.909 10 0 CDAERP OC1(CC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CCOCC1 ZINC000925670530 745079699 /nfs/dbraw/zinc/07/96/99/745079699.db2.gz LWEFDHKIDWJTTL-CVEARBPZSA-N 2 0 296.455 1.676 10 0 CDAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC[NH2+]C(C)(C)C ZINC000094459901 745083023 /nfs/dbraw/zinc/08/30/23/745083023.db2.gz WNZCEIHWNQNLBX-QWHCGFSZSA-N 2 0 267.417 1.460 10 0 CDAERP C[C@@H]1OCC[C@@H]1C[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872150661 745156941 /nfs/dbraw/zinc/15/69/41/745156941.db2.gz YPNXWIHJSPOWBA-ZDCRXTMVSA-N 2 0 266.307 1.480 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000852860554 745171770 /nfs/dbraw/zinc/17/17/70/745171770.db2.gz GSHQERNKDQYMQN-UONOGXRCSA-N 2 0 263.385 1.039 10 0 CDAERP O=C1O[C@H](C[NH2+][C@H]2CCCC23CCC3)CC12CC[NH2+]CC2 ZINC000925852068 745294007 /nfs/dbraw/zinc/29/40/07/745294007.db2.gz ZTEFIAJOYCCDMQ-KBPBESRZSA-N 2 0 292.423 1.984 10 0 CDAERP C(C[NH2+]C1CC1)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000923327857 745322938 /nfs/dbraw/zinc/32/29/38/745322938.db2.gz WUAUZSGGEMGKPZ-UHFFFAOYSA-N 3 0 295.471 1.705 10 0 CDAERP CC[NH+](CC)C[C@@H]1CCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261772790 745334948 /nfs/dbraw/zinc/33/49/48/745334948.db2.gz MUUXOOWFJYWTBR-GJZGRUSLSA-N 2 0 253.434 1.650 10 0 CDAERP CC[C@@](O)(C[NH+]1CCC(C[NH+](C)C)CC1)C(F)(F)F ZINC000929282178 745364815 /nfs/dbraw/zinc/36/48/15/745364815.db2.gz IJRHVNUBIRCBPN-GFCCVEGCSA-N 2 0 282.350 1.963 10 0 CDAERP CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262333792 745387461 /nfs/dbraw/zinc/38/74/61/745387461.db2.gz FTPCSEWFXZIXQM-OBJOEFQTSA-N 2 0 255.406 1.254 10 0 CDAERP CC[NH2+]Cc1ccccc1NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000237076952 745470881 /nfs/dbraw/zinc/47/08/81/745470881.db2.gz VVGKKOBTSRIHRI-WCQYABFASA-N 2 0 261.369 1.862 10 0 CDAERP CN1CC[NH+](CCCC[NH2+][C@@H]2CCCc3n[nH]cc32)CC1 ZINC000796697713 745493520 /nfs/dbraw/zinc/49/35/20/745493520.db2.gz YAUMFLRJCUMVHM-OAHLLOKOSA-N 2 0 291.443 1.404 10 0 CDAERP CCO[C@H](CN[C@H]1C[N@@H+](C2CC2)C[C@@H]1C)C[NH+](C)C ZINC000926966030 745503687 /nfs/dbraw/zinc/50/36/87/745503687.db2.gz VCDVIPXUDKMRNF-CFVMTHIKSA-N 2 0 269.433 1.025 10 0 CDAERP COc1coc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1=O ZINC000923501072 745513724 /nfs/dbraw/zinc/51/37/24/745513724.db2.gz YWIJWTDLGHZWNI-QWRGUYRKSA-N 2 0 266.341 1.065 10 0 CDAERP CCc1cc(N2CCc3sc(C[NH3+])nc3C2)nc(C)n1 ZINC000710115051 745520833 /nfs/dbraw/zinc/52/08/33/745520833.db2.gz WPBSOJDFELVSDD-UHFFFAOYSA-N 2 0 289.408 1.825 10 0 CDAERP C[C@@H]1CC[C@H](C(N)=O)[C@H](C)[N@@H+]1CCC[NH+]1CCCCC1 ZINC000930910842 745524738 /nfs/dbraw/zinc/52/47/38/745524738.db2.gz JGKFACSPZDUWAW-ILXRZTDVSA-N 2 0 281.444 1.837 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000870988789 745550874 /nfs/dbraw/zinc/55/08/74/745550874.db2.gz ZLWYHTDOLDCILX-XJKCOSOUSA-N 2 0 281.444 1.727 10 0 CDAERP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000866703715 745571278 /nfs/dbraw/zinc/57/12/78/745571278.db2.gz KQGGGDNMAPKIAJ-XQQFMLRXSA-N 2 0 268.426 1.192 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000868364727 745615991 /nfs/dbraw/zinc/61/59/91/745615991.db2.gz AYVQNNZXELDZOG-MCIONIFRSA-N 2 0 282.432 1.062 10 0 CDAERP Cn1ncc(CCC[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)n1 ZINC000925678791 745635227 /nfs/dbraw/zinc/63/52/27/745635227.db2.gz XDUAQSHFCPOTKE-WCQYABFASA-N 2 0 265.405 1.243 10 0 CDAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925493379 745697278 /nfs/dbraw/zinc/69/72/78/745697278.db2.gz XDLBFFMLHXCSGM-OWCLPIDISA-N 3 0 294.487 1.120 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](CCO[C@H]2CCOC2)CC1 ZINC000929277776 745700315 /nfs/dbraw/zinc/70/03/15/745700315.db2.gz UROWVPAZQYFYLZ-INIZCTEOSA-N 2 0 284.444 1.846 10 0 CDAERP C[C@@H]1C[N@H+](CCOC2CCOCC2)CC[C@H]1C[NH3+] ZINC000701371949 745729644 /nfs/dbraw/zinc/72/96/44/745729644.db2.gz QCTCDMMKUDHGFK-OLZOCXBDSA-N 2 0 256.390 1.099 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC(=O)N(CC2CC2)C1 ZINC000716743126 745809629 /nfs/dbraw/zinc/80/96/29/745809629.db2.gz XMYBHHGRBWVILZ-MJBXVCDLSA-N 2 0 265.401 1.104 10 0 CDAERP CCC[N@@H+]1CC[C@H](N[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925707704 745830518 /nfs/dbraw/zinc/83/05/18/745830518.db2.gz QNWZOOPUNDQNAQ-MELADBBJSA-N 2 0 253.434 1.966 10 0 CDAERP C[C@@H](N[C@H](CC[NH+](C)C)c1cccnc1)[C@H]1CCC[NH2+]1 ZINC000925825580 745836383 /nfs/dbraw/zinc/83/63/83/745836383.db2.gz AQYBAKVMSFPEPD-FVQBIDKESA-N 2 0 276.428 1.805 10 0 CDAERP C[C@H]([NH2+]CC[C@H]1CCCS1(=O)=O)C1CC[NH+](C)CC1 ZINC000714330765 745858463 /nfs/dbraw/zinc/85/84/63/745858463.db2.gz NXZSSMSASRZPFL-GXTWGEPZSA-N 2 0 288.457 1.274 10 0 CDAERP C[C@@H]1[NH2+]CCC[C@@H]1NCC[N@H+](C)C1CCCCC1 ZINC000925483278 745864720 /nfs/dbraw/zinc/86/47/20/745864720.db2.gz YDIMQANOPUDNOS-ZFWWWQNUSA-N 2 0 253.434 1.981 10 0 CDAERP O[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C1CC1 ZINC000819175533 745869897 /nfs/dbraw/zinc/86/98/97/745869897.db2.gz ZPBPKMJLLXRPFX-BZUAXINKSA-N 2 0 282.428 1.115 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=[NH2+])NCCC2CC2)C1 ZINC000864459292 745875277 /nfs/dbraw/zinc/87/52/77/745875277.db2.gz GLJLHGAGEURCTJ-CQSZACIVSA-N 2 0 266.433 1.878 10 0 CDAERP O[C@H](C[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12)C[NH+]1CCCC1 ZINC000712416983 745877054 /nfs/dbraw/zinc/87/70/54/745877054.db2.gz XEKQRGPORQSAMJ-LJISPDSOSA-N 2 0 252.402 1.611 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cc(=O)n2ccccc2n1 ZINC000926659696 745878707 /nfs/dbraw/zinc/87/87/07/745878707.db2.gz RCCPHPFLPZTJTP-MPYYAJLASA-N 2 0 298.390 1.124 10 0 CDAERP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711549446 745890346 /nfs/dbraw/zinc/89/03/46/745890346.db2.gz CISHCEKGDXQMIZ-FZKCQIBNSA-N 2 0 292.448 1.212 10 0 CDAERP CO[C@H]1C[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000714751379 745924418 /nfs/dbraw/zinc/92/44/18/745924418.db2.gz HKPLWDYMGIXPDL-YYFQZIEXSA-N 2 0 252.402 1.922 10 0 CDAERP CCc1ncnc(NCCN2CCC([NH3+])CC2)c1F ZINC000321510186 745978774 /nfs/dbraw/zinc/97/87/74/745978774.db2.gz FKIHDYXLIWDJTN-UHFFFAOYSA-N 2 0 267.352 1.013 10 0 CDAERP C[NH+]1CCN(C2CC[NH+](CCc3ccns3)CC2)CC1 ZINC000931550176 746015412 /nfs/dbraw/zinc/01/54/12/746015412.db2.gz TVKUWOVCWVNMTL-UHFFFAOYSA-N 2 0 294.468 1.397 10 0 CDAERP C[C@H](C[NH2+][C@H]1CCCN2CCCC[C@@H]12)N1CC[NH+](C)CC1 ZINC000924964251 746020488 /nfs/dbraw/zinc/02/04/88/746020488.db2.gz JWKOUEZUHJQTEY-IKGGRYGDSA-N 2 0 294.487 1.229 10 0 CDAERP C[NH+](C)CCC[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCO1 ZINC000856429323 746026210 /nfs/dbraw/zinc/02/62/10/746026210.db2.gz JCQLJRFQLPCDKL-CQSZACIVSA-N 2 0 297.443 1.040 10 0 CDAERP [NH3+]C1CCN(CCNc2ccc(C(F)(F)F)nn2)CC1 ZINC000321363406 746043981 /nfs/dbraw/zinc/04/39/81/746043981.db2.gz NXHSGYRAILSWJU-UHFFFAOYSA-N 2 0 289.305 1.330 10 0 CDAERP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000926573103 746064131 /nfs/dbraw/zinc/06/41/31/746064131.db2.gz KEKOFHVSCFUCFL-LJISPDSOSA-N 2 0 254.418 1.979 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCCCCS(C)(=O)=O)C1 ZINC000925643888 746065807 /nfs/dbraw/zinc/06/58/07/746065807.db2.gz LTZPLZZIFAORES-QWHCGFSZSA-N 2 0 290.473 1.697 10 0 CDAERP c1cc(-c2nc(CN3CC[NH2+]CC[NH2+]CC3)cs2)co1 ZINC000923463803 746169099 /nfs/dbraw/zinc/16/90/99/746169099.db2.gz VQFQPEZIQLJTQY-UHFFFAOYSA-N 2 0 292.408 1.398 10 0 CDAERP Fc1cc(CN2CC[NH2+]CC[NH2+]CC2)ccc1Cl ZINC000923459683 746219349 /nfs/dbraw/zinc/21/93/49/746219349.db2.gz LIPIYFQVORIMNX-UHFFFAOYSA-N 2 0 271.767 1.474 10 0 CDAERP Cn1nc(Br)cc1C[NH2+]CCCC[NH+](C)C ZINC000309943473 746239942 /nfs/dbraw/zinc/23/99/42/746239942.db2.gz CMVMIBNVALHQED-UHFFFAOYSA-N 2 0 289.221 1.614 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)CCCCC[NH3+] ZINC000237677638 746304352 /nfs/dbraw/zinc/30/43/52/746304352.db2.gz UFAFLIZPBOZPQE-CYBMUJFWSA-N 2 0 255.406 1.496 10 0 CDAERP C[N@@H+]1CC[C@@]2(CC[NH+](CCCCCCCO)C2)C1 ZINC000795320630 746308806 /nfs/dbraw/zinc/30/88/06/746308806.db2.gz CRWHBXQTWJEOOS-OAHLLOKOSA-N 2 0 254.418 1.957 10 0 CDAERP C[N@H+](CCNC(=O)C=C1CC[NH2+]CC1)C1CCCCC1 ZINC000852858779 746326586 /nfs/dbraw/zinc/32/65/86/746326586.db2.gz HAKMQNCGRHXLGG-UHFFFAOYSA-N 2 0 279.428 1.677 10 0 CDAERP C[N@@H+](CCc1cnccn1)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923371004 746385681 /nfs/dbraw/zinc/38/56/81/746385681.db2.gz NHOLLXBQLKDYFS-GOOCMWNKSA-N 2 0 274.412 1.872 10 0 CDAERP COC[C@H](C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C(C)C ZINC000925873971 746388643 /nfs/dbraw/zinc/38/86/43/746388643.db2.gz OQGGQMKEAMDXDF-PMKSJIGOSA-N 2 0 252.402 1.491 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)C[C@H]([NH3+])C1CC1 ZINC000827076882 746397799 /nfs/dbraw/zinc/39/77/99/746397799.db2.gz WMDYIXZEEORLAL-AAEUAGOBSA-N 2 0 253.390 1.104 10 0 CDAERP Cc1nc(CN2CCC(C(C)(C)C[NH3+])CC2)no1 ZINC000714456003 746588375 /nfs/dbraw/zinc/58/83/75/746588375.db2.gz MZLSTJAFZASMGK-UHFFFAOYSA-N 2 0 252.362 1.575 10 0 CDAERP CCn1cnnc1CC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925576316 746612875 /nfs/dbraw/zinc/61/28/75/746612875.db2.gz XKEGUKYDTVBOQR-NWDGAFQWSA-N 2 0 265.405 1.336 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC000810174791 746666156 /nfs/dbraw/zinc/66/61/56/746666156.db2.gz YUJJYCHWTXKCOB-CJNGLKHVSA-N 2 0 299.434 1.655 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](C[C@@H]2C[C@H]3COC[C@@H]3O2)CC1 ZINC000929275207 746801154 /nfs/dbraw/zinc/80/11/54/746801154.db2.gz HHWAEPOSYBERSK-ULQDDVLXSA-N 2 0 296.455 1.844 10 0 CDAERP CCN(C)C(=O)[C@@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)C(C)C ZINC000925681571 746828216 /nfs/dbraw/zinc/82/82/16/746828216.db2.gz OZNLBTKRAIBGBU-MCIONIFRSA-N 2 0 283.460 1.985 10 0 CDAERP COC(=O)C1=CC[C@@H](N[C@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000863540700 746829566 /nfs/dbraw/zinc/82/95/66/746829566.db2.gz CUWJTWDTUZGUMS-RTXFEEFZSA-N 2 0 252.358 1.368 10 0 CDAERP CC[C@H](C[C@@](C)(O)CC)[NH2+]C[C@@H](C)N1CC[NH+](CC)CC1 ZINC000924672597 746846928 /nfs/dbraw/zinc/84/69/28/746846928.db2.gz UGZQQZPFHNWRJH-ZACQAIPSSA-N 2 0 299.503 1.932 10 0 CDAERP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923368340 746854558 /nfs/dbraw/zinc/85/45/58/746854558.db2.gz ATRDWSQRAJBHPS-JALIKCBVSA-N 3 0 265.445 1.885 10 0 CDAERP COC(CC[N@@H+]1CCC[C@@H](N2CCOCC2)CC1)OC ZINC000852007796 746858177 /nfs/dbraw/zinc/85/81/77/746858177.db2.gz BOULBYYAFQYJFZ-CQSZACIVSA-N 2 0 286.416 1.182 10 0 CDAERP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000232148381 746859583 /nfs/dbraw/zinc/85/95/83/746859583.db2.gz TWCGURZBASHZDI-GJZGRUSLSA-N 2 0 254.418 1.859 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCNC(=O)c1ccccc1 ZINC000925570460 746867019 /nfs/dbraw/zinc/86/70/19/746867019.db2.gz ALLOQKARHBYUTJ-PJPHBNEVSA-N 2 0 287.407 1.522 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)N[C@H]1CC[NH2+]C12CCC2 ZINC000925538078 746879434 /nfs/dbraw/zinc/87/94/34/746879434.db2.gz QRFWGEJZGOMIMO-KGLIPLIRSA-N 2 0 251.418 1.735 10 0 CDAERP C[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000925701826 746892608 /nfs/dbraw/zinc/89/26/08/746892608.db2.gz GJCNXCWCDUAZRN-IBEHDNSVSA-N 2 0 297.487 1.980 10 0 CDAERP CC[C@@H]1CCN(C(=[NH2+])NC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000864457236 747001626 /nfs/dbraw/zinc/00/16/26/747001626.db2.gz BUGSWKJIXPWVAN-OLZOCXBDSA-N 2 0 252.406 1.584 10 0 CDAERP CCCCCCNC(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923497227 747062657 /nfs/dbraw/zinc/06/26/57/747062657.db2.gz ASOCGTHAHNTMLY-KBPBESRZSA-N 2 0 269.433 1.600 10 0 CDAERP COCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866704982 747070264 /nfs/dbraw/zinc/07/02/64/747070264.db2.gz RQCDIFBOROMHIQ-CZUORRHYSA-N 2 0 299.459 1.225 10 0 CDAERP CSC1(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)CCOCC1 ZINC000925573331 747166281 /nfs/dbraw/zinc/16/62/81/747166281.db2.gz NARRDIOOWIYWFA-NEPJUHHUSA-N 2 0 270.442 1.758 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)OC(=O)C1CC[NH+](C2CC2)CC1 ZINC000870567919 747212225 /nfs/dbraw/zinc/21/22/25/747212225.db2.gz UPEHCRVALBDOPL-OAHLLOKOSA-N 2 0 282.428 1.990 10 0 CDAERP C[C@@H]1CCC[N@H+](CCO[C@@H]2CCOC2)[C@@H]1CC[NH3+] ZINC000724943511 747237447 /nfs/dbraw/zinc/23/74/47/747237447.db2.gz PBNNBXZCNIABSL-MGPQQGTHSA-N 2 0 256.390 1.241 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000055086253 747308323 /nfs/dbraw/zinc/30/83/23/747308323.db2.gz QHPBPYXRCDKAMP-QWHCGFSZSA-N 2 0 255.406 1.352 10 0 CDAERP C[C@@H]1CN(C(=[NH2+])NCc2cccc(C[NH+](C)C)c2)CCO1 ZINC000848991893 747335929 /nfs/dbraw/zinc/33/59/29/747335929.db2.gz RMFMAMILLNQQAV-CYBMUJFWSA-N 2 0 290.411 1.493 10 0 CDAERP C[C@@H]1CC[NH2+][C@@H](C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000253148754 747390530 /nfs/dbraw/zinc/39/05/30/747390530.db2.gz BDRPPXITHVHTJS-VAQLIOGMSA-N 2 0 279.428 1.506 10 0 CDAERP [NH3+]C1(C[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)CCOCC1 ZINC000925719538 747411735 /nfs/dbraw/zinc/41/17/35/747411735.db2.gz OUHNJKKPZMEJAU-BFHYXJOUSA-N 2 0 268.401 1.289 10 0 CDAERP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+](C)CCCCCC[NH3+] ZINC000872155657 747439425 /nfs/dbraw/zinc/43/94/25/747439425.db2.gz XQGYNRJXLFSTQS-LBPRGKRZSA-N 2 0 286.420 1.060 10 0 CDAERP [NH3+][C@H](CC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)C1CC1 ZINC000825547357 747515312 /nfs/dbraw/zinc/51/53/12/747515312.db2.gz KWUIEPRJBNQQJY-MCIONIFRSA-N 2 0 265.401 1.104 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000711257867 747675818 /nfs/dbraw/zinc/67/58/18/747675818.db2.gz IRBBZGORKSJEMA-GUTXKFCHSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@H]1C[C@H](C[N@@H+]2CCC3=C(CCC(=O)N3)C2)CC[NH2+]1 ZINC000849350850 747740284 /nfs/dbraw/zinc/74/02/84/747740284.db2.gz YSZVWXUPVMDHTD-NWDGAFQWSA-N 2 0 263.385 1.244 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+]Cc1cc[nH]c(=O)c1 ZINC000921990519 747803487 /nfs/dbraw/zinc/80/34/87/747803487.db2.gz OMCRALSHVVBERR-UHFFFAOYSA-N 2 0 267.373 1.235 10 0 CDAERP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000724586895 747826354 /nfs/dbraw/zinc/82/63/54/747826354.db2.gz WIKWAPDWYFHQGQ-ZWTXGKAPSA-N 2 0 266.385 1.135 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@H]1CCCS1(=O)=O ZINC000925766755 747828398 /nfs/dbraw/zinc/82/83/98/747828398.db2.gz RYDIBBGMEJIODI-NFMDPKQHSA-N 2 0 286.441 1.059 10 0 CDAERP C(C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)O[C@@H]1CCOC1 ZINC000923357881 747832248 /nfs/dbraw/zinc/83/22/48/747832248.db2.gz VEVNQHUEMBWTPE-LSDHHAIUSA-N 2 0 268.401 1.113 10 0 CDAERP Cn1ncc(C[NH2+]CCCC[NH+]2CCOCC2)c1Cl ZINC000815114784 747836432 /nfs/dbraw/zinc/83/64/32/747836432.db2.gz BTTTUFLHSUMFOF-UHFFFAOYSA-N 2 0 286.807 1.276 10 0 CDAERP CCCCNC(=O)CC[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923501204 747879266 /nfs/dbraw/zinc/87/92/66/747879266.db2.gz ZOWRFHPDRBPYRK-CHWSQXEVSA-N 2 0 255.406 1.210 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCOC1CCOCC1 ZINC000925878057 747875372 /nfs/dbraw/zinc/87/53/72/747875372.db2.gz PWUQCCYARITCKI-JSGCOSHPSA-N 2 0 256.390 1.289 10 0 CDAERP C[C@H]1CCC[C@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925846332 747875770 /nfs/dbraw/zinc/87/57/70/747875770.db2.gz RTDDXQARGXLDNR-LSDHHAIUSA-N 2 0 253.434 1.840 10 0 CDAERP CC[N@H+](C)C[C@@H]1CC[NH+](CCCCCNC(C)=O)C1 ZINC000929786942 747879316 /nfs/dbraw/zinc/87/93/16/747879316.db2.gz INOJWTAJXXPRKA-HNNXBMFYSA-N 2 0 269.433 1.566 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000870994765 747889605 /nfs/dbraw/zinc/88/96/05/747889605.db2.gz UYSNATMPRPMZMD-SWLSCSKDSA-N 2 0 267.417 1.337 10 0 CDAERP CC1(C)C[C@@H]([NH2+]CCN2CCOCC2(C)C)C[C@@H]([NH3+])C1 ZINC000925476778 747914352 /nfs/dbraw/zinc/91/43/52/747914352.db2.gz HVUXNUTZMFSGQC-KGLIPLIRSA-N 2 0 283.460 1.593 10 0 CDAERP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)C[C@H]([NH3+])C1CC1 ZINC000843506754 747922624 /nfs/dbraw/zinc/92/26/24/747922624.db2.gz FDOZIEYMEUVFID-GJZGRUSLSA-N 2 0 273.380 1.199 10 0 CDAERP CC[NH+](CC)CC[C@H](CO)NC[C@@H](O)c1ccccc1C ZINC000843103206 748093422 /nfs/dbraw/zinc/09/34/22/748093422.db2.gz KKEUCHNWIJQNIV-NVXWUHKLSA-N 2 0 294.439 1.711 10 0 CDAERP COc1cccc(C[N@H+](C)C[C@H]2CC3(C[NH2+]C3)CO2)c1 ZINC000923298711 748144234 /nfs/dbraw/zinc/14/42/34/748144234.db2.gz JYEPOYTYRVNKIL-OAHLLOKOSA-N 2 0 276.380 1.506 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870866483 748167365 /nfs/dbraw/zinc/16/73/65/748167365.db2.gz YJCKQTYVSIZFDE-VQCLRJIVSA-N 2 0 279.428 1.509 10 0 CDAERP C[NH+]1CCC(C[NH2+]C[C@@H]2CC[C@H](C3CC3)O2)CC1 ZINC000715484134 748274560 /nfs/dbraw/zinc/27/45/60/748274560.db2.gz UKXDGPWOCIIVEA-LSDHHAIUSA-N 2 0 252.402 1.875 10 0 CDAERP CN1CC[NH+](CCCC[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925545891 748301598 /nfs/dbraw/zinc/30/15/98/748301598.db2.gz LKODWMNANVHSTL-JKSUJKDBSA-N 3 0 296.503 1.510 10 0 CDAERP C[C@@H](CNCc1cnc2c(cnn2C)c1)C[NH+]1CCCC1 ZINC000865418711 748306495 /nfs/dbraw/zinc/30/64/95/748306495.db2.gz OLPCXCYYPVZREJ-ZDUSSCGKSA-N 2 0 287.411 1.790 10 0 CDAERP C[C@H](C[NH2+][C@H](C1CCC1)[C@H]1CCCO1)N1CC[NH+](C)CC1 ZINC000866262010 748318928 /nfs/dbraw/zinc/31/89/28/748318928.db2.gz ZDBWDXPJNKJHEE-DJIMGWMZSA-N 2 0 295.471 1.560 10 0 CDAERP COC(=O)c1cc(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)n(C)c1C ZINC000925765633 748389430 /nfs/dbraw/zinc/38/94/30/748389430.db2.gz FXSPDUZGSNQHQQ-KBPBESRZSA-N 2 0 291.395 1.480 10 0 CDAERP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@H]1CC3(CCC3)CO1)C2 ZINC000872154700 748409955 /nfs/dbraw/zinc/40/99/55/748409955.db2.gz WMYRJHVSFSAZDV-BFHYXJOUSA-N 2 0 250.386 1.487 10 0 CDAERP CCC[C@@H](C)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000179892406 748472637 /nfs/dbraw/zinc/47/26/37/748472637.db2.gz DUBHDUNPEFXKFD-CQSZACIVSA-N 2 0 283.460 1.812 10 0 CDAERP CO[C@H]1C[C@@H](C[N@@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)C1 ZINC000721951228 748616159 /nfs/dbraw/zinc/61/61/59/748616159.db2.gz BEHUWYODUXNOKM-UKKRHICBSA-N 2 0 266.307 1.480 10 0 CDAERP C(COC1CCOCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925878232 748640292 /nfs/dbraw/zinc/64/02/92/748640292.db2.gz SDONUWMFQRFPAC-FUNVUKJBSA-N 2 0 254.374 1.055 10 0 CDAERP C[N@H+](C[C@H](O)CC(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000307941289 748709912 /nfs/dbraw/zinc/70/99/12/748709912.db2.gz OJRQPNVUCZVKHF-KJLIAQIISA-N 2 0 266.307 1.515 10 0 CDAERP COCC[N@@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000166477072 748747829 /nfs/dbraw/zinc/74/78/29/748747829.db2.gz UVJBJBFIFGDZDG-BZUAXINKSA-N 2 0 281.444 1.314 10 0 CDAERP C[NH+](C)CC1(O)CC[NH+](CCOC2CCCCC2)CC1 ZINC000710597331 748761853 /nfs/dbraw/zinc/76/18/53/748761853.db2.gz QWOMODRBDMABKW-UHFFFAOYSA-N 2 0 284.444 1.724 10 0 CDAERP C[C@@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C1CC1 ZINC000864409072 748805902 /nfs/dbraw/zinc/80/59/02/748805902.db2.gz OVMCFNXSHVZJIM-BPLDGKMQSA-N 2 0 296.459 1.166 10 0 CDAERP FC(F)(F)[C@H]1CC[C@@H](CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)O1 ZINC000923515708 748807058 /nfs/dbraw/zinc/80/70/58/748807058.db2.gz KTGAGEFXBZJHSB-WHOHXGKFSA-N 2 0 278.318 1.638 10 0 CDAERP COC(=O)CCCN1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931287493 748861616 /nfs/dbraw/zinc/86/16/16/748861616.db2.gz YRUMJYUHFKDYAA-UHFFFAOYSA-N 2 0 284.400 1.126 10 0 CDAERP CCC[C@H](CC)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925859197 748899171 /nfs/dbraw/zinc/89/91/71/748899171.db2.gz WFBCSUVGNVQNTB-QWHCGFSZSA-N 2 0 268.401 1.840 10 0 CDAERP COC/C(C)=C\C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000930115169 748947021 /nfs/dbraw/zinc/94/70/21/748947021.db2.gz VZZVZPVCBYZYLI-UUASQNMZSA-N 2 0 283.460 1.537 10 0 CDAERP C[C@@H]1OC[C@H]([NH2+]CCCN2CCC[N@H+](C)CC2)[C@@H]1C ZINC000924966931 748992683 /nfs/dbraw/zinc/99/26/83/748992683.db2.gz RXFHMLHODLQVJZ-ILXRZTDVSA-N 2 0 269.433 1.027 10 0 CDAERP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](C[C@@H]2CC3(CCC3)CO2)CC1 ZINC000872142647 749027799 /nfs/dbraw/zinc/02/77/99/749027799.db2.gz BXRIZPWASJRZQQ-XHSDSOJGSA-N 2 0 294.439 1.774 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCOC(C)(C)C ZINC000848999044 749042567 /nfs/dbraw/zinc/04/25/67/749042567.db2.gz MQWSXUAHXYZXIK-LBPRGKRZSA-N 2 0 270.421 1.400 10 0 CDAERP C[C@H]1C[N@H+](CCCN[C@H]2CC[NH2+]C23CCC3)CCCO1 ZINC000925653336 749131404 /nfs/dbraw/zinc/13/14/04/749131404.db2.gz XEZRAYGTJWJQLC-GJZGRUSLSA-N 2 0 281.444 1.362 10 0 CDAERP CN(C[C@@H]1CCC[N@@H+]1C)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000868391435 749233775 /nfs/dbraw/zinc/23/37/75/749233775.db2.gz KRAATFFYHDFGDY-GOEBONIOSA-N 2 0 282.476 1.624 10 0 CDAERP C[C@H](C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000925701828 749279237 /nfs/dbraw/zinc/27/92/37/749279237.db2.gz GJCNXCWCDUAZRN-OWYFMNJBSA-N 2 0 297.487 1.980 10 0 CDAERP CC(F)(F)CCC[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000718588154 749282461 /nfs/dbraw/zinc/28/24/61/749282461.db2.gz BGCAZWLPNOIKDK-GFCCVEGCSA-N 2 0 261.360 1.401 10 0 CDAERP CCN(C(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1)c1ccccc1 ZINC000923505809 749296711 /nfs/dbraw/zinc/29/67/11/749296711.db2.gz CHHYXSALDCCTPN-CABCVRRESA-N 2 0 289.423 1.956 10 0 CDAERP C1CC1([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCCCO1 ZINC000925893032 749346519 /nfs/dbraw/zinc/34/65/19/749346519.db2.gz JVLXDMYYFGBYOL-QNMSZWNNSA-N 2 0 250.386 1.961 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCc1ccc3c(c1)CCO3)C2 ZINC000709802942 749361941 /nfs/dbraw/zinc/36/19/41/749361941.db2.gz MBDLENSQLMMDSQ-IMJJTQAJSA-N 2 0 272.392 1.976 10 0 CDAERP CC[C@@H](C(=O)N[C@@H]1C[N@H+](C)CC1(C)C)[NH+](CC)CC ZINC001635649899 1166608524 /nfs/dbraw/zinc/60/85/24/1166608524.db2.gz SJEOIJIZOAWJBC-QWHCGFSZSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]CCC(F)(F)F)[NH+](C)C ZINC001569078747 1167547916 /nfs/dbraw/zinc/54/79/16/1167547916.db2.gz AAAYDTQVBBOUEX-WDEREUQCSA-N 2 0 297.365 1.619 10 0 CDAERP C[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1(C)CC1 ZINC001646955170 1168288057 /nfs/dbraw/zinc/28/80/57/1168288057.db2.gz FBNVOBXLSUENLA-CYBMUJFWSA-N 2 0 284.448 1.310 10 0 CDAERP CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001566533549 1168322885 /nfs/dbraw/zinc/32/28/85/1168322885.db2.gz GAWAUBYMBBWSLX-ZIAGYGMSSA-N 2 0 269.433 1.706 10 0 CDAERP O=C(N[C@H]1CCC[C@@H]1C[NH2+]CCF)C12CCC[NH+]1CCC2 ZINC001272280731 912618584 /nfs/dbraw/zinc/61/85/84/912618584.db2.gz MGGVNJDMGBEUAY-KGLIPLIRSA-N 2 0 297.418 1.459 10 0 CDAERP CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001483696803 912872915 /nfs/dbraw/zinc/87/29/15/912872915.db2.gz JSFJBKZSPHWZKA-GJZGRUSLSA-N 2 0 281.444 1.851 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001266716219 895899096 /nfs/dbraw/zinc/89/90/96/895899096.db2.gz GBLKFGQKNDMDOI-IYBDPMFKSA-N 2 0 293.455 1.921 10 0 CDAERP CC(C)[NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001266797764 896063860 /nfs/dbraw/zinc/06/38/60/896063860.db2.gz FUELQTNWJRGFOC-UHFFFAOYSA-N 2 0 255.406 1.317 10 0 CDAERP CN(CC[NH2+]CCC(F)(F)F)C(=O)C1CC[NH+](C)CC1 ZINC001266827425 896139614 /nfs/dbraw/zinc/13/96/14/896139614.db2.gz WJXUMKILGLHOLY-UHFFFAOYSA-N 2 0 295.349 1.329 10 0 CDAERP Cc1cncn1CC(=O)NCC[N@@H+](C)Cc1ccsc1 ZINC001480891411 896209238 /nfs/dbraw/zinc/20/92/38/896209238.db2.gz QEOVGYUZJQROKJ-UHFFFAOYSA-N 2 0 292.408 1.501 10 0 CDAERP [NH3+][C@H]1C[C@@H](C[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000693564047 896675008 /nfs/dbraw/zinc/67/50/08/896675008.db2.gz YTCJLULFVLNSKH-XBXGTLAGSA-N 2 0 263.360 1.685 10 0 CDAERP CCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001267128739 896877676 /nfs/dbraw/zinc/87/76/76/896877676.db2.gz ATVQZZFQXJLJOL-JHJVBQTASA-N 2 0 255.406 1.221 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)CC[NH+](C)C ZINC001267173943 897002926 /nfs/dbraw/zinc/00/29/26/897002926.db2.gz DOWFXYMXSICGFR-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP CN(CC[NH2+]CC1CC(C)(C)C1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001267456440 897933670 /nfs/dbraw/zinc/93/36/70/897933670.db2.gz XIYNECNZABGMAO-CQSZACIVSA-N 2 0 295.471 1.812 10 0 CDAERP CC[C@H](C)C[N@H+](CC)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001480975015 898417429 /nfs/dbraw/zinc/41/74/29/898417429.db2.gz DIOWLMFPGMLZPA-GOEBONIOSA-N 2 0 295.471 1.812 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001267586859 898576027 /nfs/dbraw/zinc/57/60/27/898576027.db2.gz AZSNGWHKOWHOGX-HZPDHXFCSA-N 2 0 293.455 1.827 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CCC[N@@H+]1CC1CC1 ZINC001481071184 898728608 /nfs/dbraw/zinc/72/86/08/898728608.db2.gz SPCHBVVCQZDIRN-AWEZNQCLSA-N 2 0 265.401 1.073 10 0 CDAERP C[C@H](C[N@H+](C)C[C@H]1CC(C)(C)CO1)NC(=O)CC[NH+](C)C ZINC001420614725 899642801 /nfs/dbraw/zinc/64/28/01/899642801.db2.gz HSLCDFAOWUJSFC-ZIAGYGMSSA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@@H](C(=O)NC1(C[NH2+]CCCF)CCCC1)[NH+](C)C ZINC001267843446 899855681 /nfs/dbraw/zinc/85/56/81/899855681.db2.gz FXCBRTKVLVTDHT-ZDUSSCGKSA-N 2 0 287.423 1.705 10 0 CDAERP CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]CC=C(C)C)[NH+](C)C ZINC001268094415 901242015 /nfs/dbraw/zinc/24/20/15/901242015.db2.gz OEQKABCZBJBALQ-ZIAGYGMSSA-N 2 0 269.433 1.729 10 0 CDAERP CC(C)=CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001268227323 901605369 /nfs/dbraw/zinc/60/53/69/901605369.db2.gz SNGHIWLAGSAUQU-CABCVRRESA-N 2 0 281.444 1.635 10 0 CDAERP C[C@@H](CC[NH2+]CC1=CCCCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268422545 902039823 /nfs/dbraw/zinc/03/98/23/902039823.db2.gz FBGICSGSVLUMSS-GOEBONIOSA-N 2 0 293.455 1.923 10 0 CDAERP C[C@H](F)CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001483762023 914641001 /nfs/dbraw/zinc/64/10/01/914641001.db2.gz LAWNMDRPLNUPQZ-IHRRRGAJSA-N 2 0 299.434 1.703 10 0 CDAERP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)C[NH2+]CCF ZINC001482147451 902761939 /nfs/dbraw/zinc/76/19/39/902761939.db2.gz AYFZXVCMCZHADU-LBPRGKRZSA-N 2 0 273.396 1.030 10 0 CDAERP CCCC[NH2+]C[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001482150678 902768087 /nfs/dbraw/zinc/76/80/87/902768087.db2.gz ZXTOXBNXHWAUEI-AWEZNQCLSA-N 2 0 283.460 1.860 10 0 CDAERP C[C@H](C(=O)NC/C=C/C[NH2+]CCCF)[NH+]1CCCCCC1 ZINC001268597639 902793600 /nfs/dbraw/zinc/79/36/00/902793600.db2.gz TXCOWSADJKFVGG-MBVDDHJVSA-N 2 0 299.434 1.873 10 0 CDAERP CC[C@H](C)C[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001483763022 914679095 /nfs/dbraw/zinc/67/90/95/914679095.db2.gz SIMLZDIFIGMBRU-ZDUSSCGKSA-N 2 0 281.444 1.613 10 0 CDAERP CCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001268731871 903052419 /nfs/dbraw/zinc/05/24/19/903052419.db2.gz RMBAEBVOBXZZFU-JHJVBQTASA-N 2 0 255.406 1.173 10 0 CDAERP CCOCC[N@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001268739920 903059086 /nfs/dbraw/zinc/05/90/86/903059086.db2.gz GNTSLCKCRIRTON-AWEZNQCLSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC001361981758 903085123 /nfs/dbraw/zinc/08/51/23/903085123.db2.gz WFJUDNSDSJVSII-HUUCEWRRSA-N 2 0 283.460 1.811 10 0 CDAERP CN(CCC[NH2+]Cc1ccns1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268811162 903147258 /nfs/dbraw/zinc/14/72/58/903147258.db2.gz MPNRTJVVLYJZHN-CYBMUJFWSA-N 2 0 296.440 1.175 10 0 CDAERP CN(CCC[NH2+]C/C=C\Cl)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001268915952 903241084 /nfs/dbraw/zinc/24/10/84/903241084.db2.gz ULWMNIVTZXGYPT-ACVFHECNSA-N 2 0 287.835 1.519 10 0 CDAERP CN(CCC[NH2+]C/C=C/Cl)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001268915955 903243006 /nfs/dbraw/zinc/24/30/06/903243006.db2.gz ULWMNIVTZXGYPT-YIALFULDSA-N 2 0 287.835 1.519 10 0 CDAERP CC[NH2+]CCCN(C)C(=O)CCC[NH+]1CCCC1 ZINC001268958939 903268851 /nfs/dbraw/zinc/26/88/51/903268851.db2.gz RKXYUNYWXKAMDS-UHFFFAOYSA-N 2 0 255.406 1.320 10 0 CDAERP CC[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC=C(C)C ZINC001269412802 903789083 /nfs/dbraw/zinc/78/90/83/903789083.db2.gz LPOYFRAYLKEONV-CQSZACIVSA-N 2 0 281.444 1.921 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]CC=C(C)C)[NH+](C)C ZINC001270076269 904327022 /nfs/dbraw/zinc/32/70/22/904327022.db2.gz OECSTTBFKDRYAL-LSDHHAIUSA-N 2 0 281.444 1.873 10 0 CDAERP CC(C)[NH2+]C[C@H](C)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001482282626 904561734 /nfs/dbraw/zinc/56/17/34/904561734.db2.gz BMRHZIKLEBLNKE-JSGCOSHPSA-N 2 0 267.417 1.173 10 0 CDAERP CC(C)=CC[NH2+]C/C=C/CNC(=O)CC[NH+](C)C ZINC001483054343 909140402 /nfs/dbraw/zinc/14/04/02/909140402.db2.gz LWGXWEMCRJZAAP-AATRIKPKSA-N 2 0 253.390 1.166 10 0 CDAERP C[C@H](C[NH2+]Cc1ccsc1)NC(=O)C[N@H+](C)C1CCC1 ZINC001483137823 909783433 /nfs/dbraw/zinc/78/34/33/909783433.db2.gz SSRWYRFPXFSTFD-GFCCVEGCSA-N 2 0 295.452 1.827 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccccn1 ZINC001409481303 910434205 /nfs/dbraw/zinc/43/42/05/910434205.db2.gz WTHKOLVETSKYTQ-KBPBESRZSA-N 2 0 292.427 1.405 10 0 CDAERP C[C@H](C[N@H+](C)CC1CCCC1)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001483340427 910936932 /nfs/dbraw/zinc/93/69/32/910936932.db2.gz SHLKDAWWHAECDH-IIAWOOMASA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)CC[N@H+](C)C[C@H](C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001483406686 911070895 /nfs/dbraw/zinc/07/08/95/911070895.db2.gz DWBFAGGMKPANDB-GJZGRUSLSA-N 2 0 283.460 1.811 10 0 CDAERP O=C(C[NH+]1CCCC1)NC1(C[NH2+]CC2CC2)CCCCC1 ZINC001409792238 911827349 /nfs/dbraw/zinc/82/73/49/911827349.db2.gz SGRZFIZWQDIHDE-UHFFFAOYSA-N 2 0 293.455 1.901 10 0 CDAERP CC(C)[NH+](C)CC(=O)N(C)CCC[N@@H+](C)C(C)C ZINC001273591499 921787679 /nfs/dbraw/zinc/78/76/79/921787679.db2.gz UFUKDHRDLJSSBN-UHFFFAOYSA-N 2 0 257.422 1.515 10 0 CDAERP CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+](C)C)C2 ZINC001484833077 916197463 /nfs/dbraw/zinc/19/74/63/916197463.db2.gz WZNCNVSXCWESNI-INIZCTEOSA-N 2 0 281.444 1.663 10 0 CDAERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1[NH2+]CC1CCC1 ZINC001484904220 916255667 /nfs/dbraw/zinc/25/56/67/916255667.db2.gz JLBBCCVEVMEEHW-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1CCCC[C@H]1C[NH2+]CCF ZINC001485040723 916418643 /nfs/dbraw/zinc/41/86/43/916418643.db2.gz AFMGJRFZFMZOBJ-AWEZNQCLSA-N 2 0 287.423 1.659 10 0 CDAERP C[C@@H](O)CCC[N@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001485068892 916455120 /nfs/dbraw/zinc/45/51/20/916455120.db2.gz JHUVISHUMRSSPA-CABCVRRESA-N 2 0 299.459 1.022 10 0 CDAERP C[C@@H](NC(=O)C12CCC[NH+]1CCC2)[C@H](C)[NH2+]CCCF ZINC001485167679 916603774 /nfs/dbraw/zinc/60/37/74/916603774.db2.gz XNZIHLAOSRMCRN-QWHCGFSZSA-N 2 0 285.407 1.457 10 0 CDAERP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001137610901 936373862 /nfs/dbraw/zinc/37/38/62/936373862.db2.gz JPTFAJMXUFXBHW-DGAVXFQQSA-N 2 0 267.417 1.268 10 0 CDAERP Cc1ncccc1C[N@@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001485344981 916862282 /nfs/dbraw/zinc/86/22/82/916862282.db2.gz IBYDVQWUPBIQPC-CYBMUJFWSA-N 2 0 292.427 1.278 10 0 CDAERP CC(C)C[N@H+](C)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001485373738 916907578 /nfs/dbraw/zinc/90/75/78/916907578.db2.gz VRHZWQXHYYESIZ-ZIAGYGMSSA-N 2 0 269.433 1.421 10 0 CDAERP COCC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001485441455 916971115 /nfs/dbraw/zinc/97/11/15/916971115.db2.gz NGMKJPUNJZJULX-GJZGRUSLSA-N 2 0 299.459 1.047 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001485882946 920543279 /nfs/dbraw/zinc/54/32/79/920543279.db2.gz YCHWYFINQSMZQM-CQSZACIVSA-N 2 0 281.444 1.873 10 0 CDAERP CCCC[NH2+]C[C@H](C)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001568304694 1169233869 /nfs/dbraw/zinc/23/38/69/1169233869.db2.gz PZOLRAQUUHADNR-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP COCCC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001491080053 936851877 /nfs/dbraw/zinc/85/18/77/936851877.db2.gz IZPIVMDOGRJTNC-TUVASFSCSA-N 2 0 297.443 1.133 10 0 CDAERP CCOC(=O)CC(C)(C)C[N@H+](C)CCC[NH+](C)C ZINC000839094711 936903667 /nfs/dbraw/zinc/90/36/67/936903667.db2.gz BJOLHFQLCUEYIZ-UHFFFAOYSA-N 2 0 258.406 1.849 10 0 CDAERP CC[N@@H+]1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH+](C)C[C@H]23)[C@@H](C)C1 ZINC001414731816 925844145 /nfs/dbraw/zinc/84/41/45/925844145.db2.gz XAWJXEABHIFQQB-LJISPDSOSA-N 2 0 294.443 1.062 10 0 CDAERP CC(C)[N@@H+]1CC[C@]2(NC(=O)CCc3c[nH]cn3)CCC[C@@H]12 ZINC001410920727 926763325 /nfs/dbraw/zinc/76/33/25/926763325.db2.gz YTHYZRCFABQEGX-GDBMZVCRSA-N 2 0 290.411 1.864 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCF ZINC001489056230 926785267 /nfs/dbraw/zinc/78/52/67/926785267.db2.gz NBSYNZZADRIMKY-KGLIPLIRSA-N 2 0 287.423 1.513 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]2C[NH2+]CCCCCF)C1 ZINC001324278323 926813310 /nfs/dbraw/zinc/81/33/10/926813310.db2.gz UOGPSJDNUPQHEH-CABCVRRESA-N 2 0 299.434 1.659 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC2CC2)CC(C)(C)C1 ZINC001489347656 926880197 /nfs/dbraw/zinc/88/01/97/926880197.db2.gz PEESAEMQTYAFAS-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001568451046 1169294414 /nfs/dbraw/zinc/29/44/14/1169294414.db2.gz HVCAVAUSCIXLJI-UPJWGTAASA-N 2 0 255.406 1.077 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](CCCF)C1CC1 ZINC001490377166 927139862 /nfs/dbraw/zinc/13/98/62/927139862.db2.gz IUORICBNKMVMKV-OAHLLOKOSA-N 2 0 299.434 1.801 10 0 CDAERP C[C@@H](F)CC[NH2+]C1CC(N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001411243365 927301668 /nfs/dbraw/zinc/30/16/68/927301668.db2.gz CKGVKBQTDFACOH-IYXRBSQSSA-N 2 0 299.434 1.655 10 0 CDAERP CN(C(=O)CC[NH+](C)C)C1CC([NH2+]Cc2ccsc2)C1 ZINC001411247966 927310458 /nfs/dbraw/zinc/31/04/58/927310458.db2.gz SLCUBCFAJGZMBL-UHFFFAOYSA-N 2 0 295.452 1.779 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC2CC[NH+](C)CC2)C1 ZINC001135652642 930327989 /nfs/dbraw/zinc/32/79/89/930327989.db2.gz JQUGYNMCMFMFJF-TZMCWYRMSA-N 2 0 267.417 1.317 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)C1([NH+](C)C)CCCC1 ZINC001136652397 931229033 /nfs/dbraw/zinc/22/90/33/931229033.db2.gz QPMWKBVXIDEFSI-CYBMUJFWSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)(C(=O)NC/C=C/C[NH2+]CC1CC1)[NH+]1CCCC1 ZINC001274254889 931484644 /nfs/dbraw/zinc/48/46/44/931484644.db2.gz VPPYBNUNVPVELA-ONEGZZNKSA-N 2 0 279.428 1.533 10 0 CDAERP COCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001274251475 931485089 /nfs/dbraw/zinc/48/50/89/931485089.db2.gz PAYDEIVHJSBCRT-KBPBESRZSA-N 2 0 299.459 1.047 10 0 CDAERP CC(C)[NH2+]C/C=C/CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001274367592 931494096 /nfs/dbraw/zinc/49/40/96/931494096.db2.gz CKVIGRIKJVYBJD-FYCOFBDGSA-N 2 0 299.434 1.869 10 0 CDAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CCF ZINC001274944189 931613960 /nfs/dbraw/zinc/61/39/60/931613960.db2.gz RZYVZROWOHIPQE-CHWSQXEVSA-N 2 0 273.396 1.313 10 0 CDAERP CC(C)CCC[NH2+]C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001275446128 931799706 /nfs/dbraw/zinc/79/97/06/931799706.db2.gz ZWSXSFFLMPEBAI-AWEZNQCLSA-N 2 0 269.433 1.613 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC001411616500 931919167 /nfs/dbraw/zinc/91/91/67/931919167.db2.gz IXMBHMZQJHEKOM-CZUORRHYSA-N 2 0 293.455 1.850 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)CC[NH+]1CC[C@H](F)C1 ZINC001411852300 932075044 /nfs/dbraw/zinc/07/50/44/932075044.db2.gz ICMHPXAUGGNMEY-ZDUSSCGKSA-N 2 0 273.396 1.268 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H]([NH2+]CCC2CC2)C1 ZINC001447542085 932079142 /nfs/dbraw/zinc/07/91/42/932079142.db2.gz QDSCEWHFAFSGKH-GOEBONIOSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC001411901319 932133193 /nfs/dbraw/zinc/13/31/93/932133193.db2.gz MOZNFVNIEUNTDW-RBSFLKMASA-N 2 0 281.444 1.517 10 0 CDAERP C[C@H]1C[C@@H](C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)CC[NH2+]1 ZINC001117953925 937573002 /nfs/dbraw/zinc/57/30/02/937573002.db2.gz UILRYAUTSCLIQZ-JZAZDWQXSA-N 2 0 252.402 1.467 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CC[N@H+](C)C(C)(C)C2)C1 ZINC001412041855 932230752 /nfs/dbraw/zinc/23/07/52/932230752.db2.gz JEVFBERALGREQW-UONOGXRCSA-N 2 0 281.444 1.659 10 0 CDAERP CN(CCC[NH2+]CCF)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001276271315 932702179 /nfs/dbraw/zinc/70/21/79/932702179.db2.gz DPNQRDNBSYNGCV-ZIAGYGMSSA-N 2 0 285.407 1.411 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCCC(=O)NC)[C@@H](C)C1 ZINC001118365073 937620370 /nfs/dbraw/zinc/62/03/70/937620370.db2.gz DTCFIRTVHCIXEW-STQMWFEESA-N 2 0 255.406 1.175 10 0 CDAERP C[C@@H](C[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2)CN1CC[NH+](C)CC1 ZINC000924953635 932835999 /nfs/dbraw/zinc/83/59/99/932835999.db2.gz RJXNNMMSHJHSOK-NXOAAHMSSA-N 2 0 277.456 1.814 10 0 CDAERP CC[C@H]([NH2+][C@H](C)c1cccc(C[NH+](C)C)c1)C(=O)NC ZINC000926551445 932998580 /nfs/dbraw/zinc/99/85/80/932998580.db2.gz MWUBQDNXHQZNOP-DOMZBBRYSA-N 2 0 277.412 1.923 10 0 CDAERP CC(C)CNC(=O)C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC001119631490 937741750 /nfs/dbraw/zinc/74/17/50/937741750.db2.gz WMDQINHIYHLTRA-NEPJUHHUSA-N 2 0 255.406 1.254 10 0 CDAERP CCCC[NH2+]CC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001568674509 1169425969 /nfs/dbraw/zinc/42/59/69/1169425969.db2.gz OYVOBYNJDGWPLM-CYBMUJFWSA-N 2 0 269.433 1.613 10 0 CDAERP C[C@H](F)CC[NH2+]CC[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001568710905 1169430212 /nfs/dbraw/zinc/43/02/12/1169430212.db2.gz SQVGOZQZQQTBAQ-STQMWFEESA-N 2 0 273.396 1.315 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC001166876614 939646566 /nfs/dbraw/zinc/64/65/66/939646566.db2.gz SJXQQIRPVPJVOB-KBPBESRZSA-N 2 0 269.433 1.422 10 0 CDAERP C[C@H]([NH2+]Cc1cccc(C(N)=O)c1)C1CC[NH2+]CC1 ZINC000400501594 940851245 /nfs/dbraw/zinc/85/12/45/940851245.db2.gz CCFCHYUURXVWIF-NSHDSACASA-N 2 0 261.369 1.263 10 0 CDAERP C[C@H]1[C@H](C)OC[C@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000405554400 940991309 /nfs/dbraw/zinc/99/13/09/940991309.db2.gz CAOADNGORZNQNX-MELADBBJSA-N 2 0 269.433 1.025 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001276978369 941765485 /nfs/dbraw/zinc/76/54/85/941765485.db2.gz LIZSSOOZEIPUHZ-KBPBESRZSA-N 2 0 269.433 1.563 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]C/C=C/Cl)C1)[NH+](C)C ZINC001277074657 941916016 /nfs/dbraw/zinc/91/60/16/941916016.db2.gz LYJUJNDBEAAJJN-HJMNKLKPSA-N 2 0 287.835 1.564 10 0 CDAERP CCCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001282181392 942673577 /nfs/dbraw/zinc/67/35/77/942673577.db2.gz ACTGESGUKNNKRT-QWHCGFSZSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@H](CCC[NH2+]CCCF)NC(=O)C1CC[NH+](C)CC1 ZINC001283232422 942863224 /nfs/dbraw/zinc/86/32/24/942863224.db2.gz LXVQPHFCMUEIAW-CYBMUJFWSA-N 2 0 287.423 1.562 10 0 CDAERP CC(C)OCC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H]1C ZINC001283897991 943023693 /nfs/dbraw/zinc/02/36/93/943023693.db2.gz HEVHUGIZNMCWRN-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP CC[NH2+][C@H]1CCCCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001264125151 944083074 /nfs/dbraw/zinc/08/30/74/944083074.db2.gz CSZVQJZGFDMVOB-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+](C)C ZINC001264559783 944149743 /nfs/dbraw/zinc/14/97/43/944149743.db2.gz QSRCRYUXIRAKMB-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)C(C)C ZINC001265103959 944230385 /nfs/dbraw/zinc/23/03/85/944230385.db2.gz CSCZCNPZDOUZPY-ZDUSSCGKSA-N 2 0 255.406 1.317 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001265317249 944340358 /nfs/dbraw/zinc/34/03/58/944340358.db2.gz LWDCYBUKPAAQFR-UONOGXRCSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001265635348 944453218 /nfs/dbraw/zinc/45/32/18/944453218.db2.gz VMOJLHAACQMLNF-HOTGVXAUSA-N 2 0 293.455 1.733 10 0 CDAERP CCCCC[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001265941988 944587513 /nfs/dbraw/zinc/58/75/13/944587513.db2.gz RCXVDPHLPAVQOM-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1CC1 ZINC001266168686 944728484 /nfs/dbraw/zinc/72/84/84/944728484.db2.gz ASIVMDRARBQJDK-CQSZACIVSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001568873438 1169526942 /nfs/dbraw/zinc/52/69/42/1169526942.db2.gz MHGNXHVWVRTAIS-YVACAVLKSA-N 2 0 281.444 1.779 10 0 CDAERP C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)CCOC1CCC1 ZINC001479762203 971401250 /nfs/dbraw/zinc/40/12/50/971401250.db2.gz KORGYCXUPIXUCF-OAHLLOKOSA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@H](C(=O)NCCC[N@H+](C)Cc1ocnc1C)[NH+](C)C ZINC001479778233 971413148 /nfs/dbraw/zinc/41/31/48/971413148.db2.gz QBFMZHFELLFPSV-CYBMUJFWSA-N 2 0 296.415 1.261 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H](C[NH2+]CCF)C(C)(C)C)C1 ZINC001279022447 948610435 /nfs/dbraw/zinc/61/04/35/948610435.db2.gz VHOROJCVLWWKET-STQMWFEESA-N 2 0 287.423 1.418 10 0 CDAERP CCC(CC)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001569036060 1169606352 /nfs/dbraw/zinc/60/63/52/1169606352.db2.gz KWFQLNUOCLLLBD-OCCSQVGLSA-N 2 0 269.433 1.469 10 0 CDAERP O=C(NC[C@H]([NH2+]C/C=C\Cl)C1CC1)C12CC[NH+](CC1)C2 ZINC001480059818 971559573 /nfs/dbraw/zinc/55/95/73/971559573.db2.gz KAJGEMIICXAGCM-DFICIIQISA-N 2 0 297.830 1.319 10 0 CDAERP O=C(N[C@H]1C[C@H]([NH2+]CCCF)C1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001480160768 971608748 /nfs/dbraw/zinc/60/87/48/971608748.db2.gz HNJVPEIBOYPUAY-AJNGGQMLSA-N 2 0 297.418 1.600 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001480187838 971617143 /nfs/dbraw/zinc/61/71/43/971617143.db2.gz DWGHFQHCLRLRIY-HZPDHXFCSA-N 2 0 295.471 1.907 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001480187834 971617274 /nfs/dbraw/zinc/61/72/74/971617274.db2.gz DWGHFQHCLRLRIY-CVEARBPZSA-N 2 0 295.471 1.907 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC[C@H](C)F)C2)CC[N@@H+]1C ZINC001480206345 971628852 /nfs/dbraw/zinc/62/88/52/971628852.db2.gz ZYCOVNJWZZNMDB-SBJFKYEJSA-N 2 0 299.434 1.702 10 0 CDAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC[C@H]1CC(=O)N(C)C1 ZINC001650036094 1169634732 /nfs/dbraw/zinc/63/47/32/1169634732.db2.gz FSKYQPQRWOXLSD-YPMHNXCESA-N 2 0 290.411 1.368 10 0 CDAERP CCC(CC)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001480436599 971727639 /nfs/dbraw/zinc/72/76/39/971727639.db2.gz UCANXNUJRVNIJB-JSGCOSHPSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2CCCC[NH+](C)C2)C1 ZINC001363989537 954103525 /nfs/dbraw/zinc/10/35/25/954103525.db2.gz GBZAWNSNQOOIKE-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)[NH+](C)C ZINC001364083618 954184261 /nfs/dbraw/zinc/18/42/61/954184261.db2.gz HVCALVVUBKNGMB-BPUTZDHNSA-N 2 0 289.423 1.746 10 0 CDAERP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H](C)CN2CCOCC2)C1 ZINC001364363062 954505957 /nfs/dbraw/zinc/50/59/57/954505957.db2.gz PVZGGICGHSKGLM-DLBZAZTESA-N 2 0 297.487 1.618 10 0 CDAERP CC[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]C[C@H]1CCCCO1 ZINC001421490516 955372499 /nfs/dbraw/zinc/37/24/99/955372499.db2.gz AQKFSABOUJQFKN-HUUCEWRRSA-N 2 0 299.459 1.380 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCCF ZINC001328646638 955391636 /nfs/dbraw/zinc/39/16/36/955391636.db2.gz FAPGOOOSCRQNPT-GJZGRUSLSA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)CC[NH2+]CC1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001328942391 955568244 /nfs/dbraw/zinc/56/82/44/955568244.db2.gz XPJDZMYTJICGCQ-QQFBHYJXSA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CC1CC(C)C1 ZINC001422118440 955756096 /nfs/dbraw/zinc/75/60/96/955756096.db2.gz LNYFANFILXHNOR-YMAMQOFZSA-N 2 0 283.460 1.715 10 0 CDAERP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]C/C=C\Cl ZINC001422169822 955807823 /nfs/dbraw/zinc/80/78/23/955807823.db2.gz ORISZMSSFRZPRK-VCUMLDNESA-N 2 0 273.808 1.175 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](C)CN2CCOCC2)C[C@H]1C ZINC001365284315 955825064 /nfs/dbraw/zinc/82/50/64/955825064.db2.gz BXLZHCHTKDVYGK-BBWFWOEESA-N 2 0 297.487 1.759 10 0 CDAERP C[C@@H](C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1)CC(C)(C)C ZINC001365313688 955880816 /nfs/dbraw/zinc/88/08/16/955880816.db2.gz JEAPYYGIKYYBEE-CQSZACIVSA-N 2 0 283.460 1.765 10 0 CDAERP CC(C)=CC[N@H+](C)CCNC(=O)COC1CC[NH+](C)CC1 ZINC001492474648 955909894 /nfs/dbraw/zinc/90/98/94/955909894.db2.gz KYYOUFXUPIVKCA-UHFFFAOYSA-N 2 0 297.443 1.111 10 0 CDAERP C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]Cc1ccccn1 ZINC001422389067 955975656 /nfs/dbraw/zinc/97/56/56/955975656.db2.gz QAQUMLMSXYGWCJ-UONOGXRCSA-N 2 0 292.427 1.406 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)CC[NH+](C)C ZINC001317437076 956281643 /nfs/dbraw/zinc/28/16/43/956281643.db2.gz SYOBTOCJUSPGBC-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001365881313 956421099 /nfs/dbraw/zinc/42/10/99/956421099.db2.gz DNXZQPUWAPJOJW-XHSDSOJGSA-N 2 0 295.471 1.765 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001480681151 956480907 /nfs/dbraw/zinc/48/09/07/956480907.db2.gz VEOLBIOKMAHLML-HNNXBMFYSA-N 2 0 281.444 1.731 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CC[C@H](C[NH2+]C/C=C/Cl)C1 ZINC001480680528 956500775 /nfs/dbraw/zinc/50/07/75/956500775.db2.gz VAOMHSBWZUXXSE-MASHWEEQSA-N 2 0 285.819 1.273 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC1CCC1)C1CC1 ZINC001366037780 956526765 /nfs/dbraw/zinc/52/67/65/956526765.db2.gz BYKIUKDIEPEFCT-HZPDHXFCSA-N 2 0 293.455 1.755 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CC=C(Cl)Cl ZINC001366318667 956739956 /nfs/dbraw/zinc/73/99/56/956739956.db2.gz AWOMAPHGHCTOST-VIFPVBQESA-N 2 0 282.215 1.351 10 0 CDAERP CC(C)C[C@H](C)C[NH+]1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001423435690 956785006 /nfs/dbraw/zinc/78/50/06/956785006.db2.gz JMVHJRKKCXADMJ-HNNXBMFYSA-N 2 0 295.471 1.907 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)C1C[NH+](CC[C@@H]2CCCO2)C1 ZINC001423438130 956785305 /nfs/dbraw/zinc/78/53/05/956785305.db2.gz QMRDWJAAUHIIID-HNNXBMFYSA-N 2 0 297.443 1.040 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)C1CC[NH+](CCF)CC1 ZINC001423657297 956922267 /nfs/dbraw/zinc/92/22/67/956922267.db2.gz RYIBDBAFEBVCKO-CYBMUJFWSA-N 2 0 287.423 1.513 10 0 CDAERP CC[NH2+]C1CC(N(C)C(=O)C[C@@H](C)n2ccnc2CC)C1 ZINC001423674194 956930695 /nfs/dbraw/zinc/93/06/95/956930695.db2.gz CVGGRRVLUYFOCI-IYXRBSQSSA-N 2 0 292.427 1.996 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)C1CC([NH2+]CCC2CC2)C1 ZINC001423695639 956946088 /nfs/dbraw/zinc/94/60/88/956946088.db2.gz NSKLCICFFUVLDS-UHFFFAOYSA-N 2 0 281.444 1.706 10 0 CDAERP CC[N@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)CC1CCC1 ZINC001316907352 957111225 /nfs/dbraw/zinc/11/12/25/957111225.db2.gz MTCNKXIJUCRZIH-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP CC[NH2+][C@@H](C)CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001424597344 957281436 /nfs/dbraw/zinc/28/14/36/957281436.db2.gz TWSHCWISZWKMQE-SWLSCSKDSA-N 2 0 287.423 1.703 10 0 CDAERP CN(CC(C)(C)C[NH2+]Cc1ccon1)C(=O)CC[NH+](C)C ZINC001424887071 957392757 /nfs/dbraw/zinc/39/27/57/957392757.db2.gz TZHKNWLVTOJRNN-UHFFFAOYSA-N 2 0 296.415 1.201 10 0 CDAERP CCC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001317339608 957428943 /nfs/dbraw/zinc/42/89/43/957428943.db2.gz SNBOOMJMTGMOKL-CQSZACIVSA-N 2 0 283.460 1.812 10 0 CDAERP CCC[N@H+](C)CC(=O)NCC1CN(Cc2cncs2)C1 ZINC001494617173 972270267 /nfs/dbraw/zinc/27/02/67/972270267.db2.gz QGQATHCCUPZVTG-UHFFFAOYSA-N 2 0 296.440 1.033 10 0 CDAERP CC/C=C\CC[NH+]1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001494625483 972272310 /nfs/dbraw/zinc/27/23/10/972272310.db2.gz LCGLORZJAKRYNG-ARJAWSKDSA-N 2 0 279.428 1.487 10 0 CDAERP CCC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001317558318 957548002 /nfs/dbraw/zinc/54/80/02/957548002.db2.gz FYNINGOEHYVTNR-UHFFFAOYSA-N 2 0 265.401 1.073 10 0 CDAERP CN(CC[NH2+]C/C=C\Cl)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001317600476 957592051 /nfs/dbraw/zinc/59/20/51/957592051.db2.gz JTSRSDLKHXRFIF-HWPRWLFBSA-N 2 0 273.808 1.271 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+]Cc1ccc(F)cn1 ZINC001317665121 957628847 /nfs/dbraw/zinc/62/88/47/957628847.db2.gz OJGCHWSBKUHFHT-UHFFFAOYSA-N 2 0 296.390 1.109 10 0 CDAERP CC(C)CC[NH2+]CCN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001317662501 957629552 /nfs/dbraw/zinc/62/95/52/957629552.db2.gz BHMZGCLEYZYHEC-OAHLLOKOSA-N 2 0 299.459 1.049 10 0 CDAERP CC[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CC1CC1 ZINC001367103624 957678486 /nfs/dbraw/zinc/67/84/86/957678486.db2.gz RXZDUIYVKVZSIH-GJZGRUSLSA-N 2 0 281.444 1.755 10 0 CDAERP CC[N@H+](C)CCC(=O)NCC1C[NH+](CC=C(C)C)C1 ZINC001318164172 957950832 /nfs/dbraw/zinc/95/08/32/957950832.db2.gz HJTLISQDVIIVSX-UHFFFAOYSA-N 2 0 267.417 1.342 10 0 CDAERP CC[C@H](C)C[NH+]1CC(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001318176868 957956914 /nfs/dbraw/zinc/95/69/14/957956914.db2.gz RQSOMQHZTHUKTB-ZDUSSCGKSA-N 2 0 269.433 1.421 10 0 CDAERP CC(C)CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001367810783 958388516 /nfs/dbraw/zinc/38/85/16/958388516.db2.gz ZDIIZHOYJDHVMN-GDBMZVCRSA-N 2 0 295.471 1.811 10 0 CDAERP C[C@@H](C[N@H+](C)CCC(F)(F)F)NC(=O)CC[NH+](C)C ZINC001367828865 958406683 /nfs/dbraw/zinc/40/66/83/958406683.db2.gz COXPDCTUDFHVCJ-JTQLQIEISA-N 2 0 283.338 1.327 10 0 CDAERP COC[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001367882716 958452806 /nfs/dbraw/zinc/45/28/06/958452806.db2.gz OLRDOHQTWHUDQA-UONOGXRCSA-N 2 0 299.459 1.332 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]CCC1CCCC1 ZINC001319284804 958476684 /nfs/dbraw/zinc/47/66/84/958476684.db2.gz WYFFMBSWRHNJAZ-GDBMZVCRSA-N 2 0 295.471 1.860 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CC[C@@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001368163238 958676042 /nfs/dbraw/zinc/67/60/42/958676042.db2.gz RAIFPYZSVHMQNZ-UKRRQHHQSA-N 2 0 299.434 1.657 10 0 CDAERP CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001319749387 958710665 /nfs/dbraw/zinc/71/06/65/958710665.db2.gz FHGGGMPLMDEYMD-HZPDHXFCSA-N 2 0 293.455 1.709 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@]1(CO)CCC[NH+](CCC)C1 ZINC001368369471 958795255 /nfs/dbraw/zinc/79/52/55/958795255.db2.gz AFBSZKRUEPKDKN-MRXNPFEDSA-N 2 0 299.459 1.071 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001368436525 958841106 /nfs/dbraw/zinc/84/11/06/958841106.db2.gz JTVHEDKUYGMENB-UONOGXRCSA-N 2 0 285.407 1.363 10 0 CDAERP CC[C@@H](C)C[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CCC1 ZINC001368485382 958895806 /nfs/dbraw/zinc/89/58/06/958895806.db2.gz JZDBZGCCXAEETJ-CQSZACIVSA-N 2 0 293.455 1.757 10 0 CDAERP CC(C)[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CCF)C1)[NH+]1CCCC1 ZINC001368608767 958997741 /nfs/dbraw/zinc/99/77/41/958997741.db2.gz OZRXRLDKMHTVSY-RBSFLKMASA-N 2 0 299.434 1.561 10 0 CDAERP Cc1cnc(C[NH2+][C@@H](C)CCNC(=O)C[NH+]2CCCC2)o1 ZINC001368750511 959102927 /nfs/dbraw/zinc/10/29/27/959102927.db2.gz XDBBVFHDVWXTPD-LBPRGKRZSA-N 2 0 294.399 1.063 10 0 CDAERP CC[NH2+]CC[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001320464485 959188540 /nfs/dbraw/zinc/18/85/40/959188540.db2.gz PJKGBLWZQKQFEF-CYBMUJFWSA-N 2 0 267.417 1.367 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)[NH2+]CCC1CCOCC1 ZINC001368874135 959213199 /nfs/dbraw/zinc/21/31/99/959213199.db2.gz WWXMEJDWDNXMDE-ZIAGYGMSSA-N 2 0 299.459 1.238 10 0 CDAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(C)C ZINC001495109525 972410781 /nfs/dbraw/zinc/41/07/81/972410781.db2.gz VKCJVJFDIQKIKC-STQMWFEESA-N 2 0 255.406 1.079 10 0 CDAERP CC(C)C[NH2+]C1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001368905190 959240437 /nfs/dbraw/zinc/24/04/37/959240437.db2.gz SLDCNYUXDRWNAH-UHFFFAOYSA-N 2 0 283.460 1.953 10 0 CDAERP C(C[NH2+][C@@H]1CCO[C@]12CCOC2)C[NH+]1CCCC1 ZINC001334731298 959312647 /nfs/dbraw/zinc/31/26/47/959312647.db2.gz KNYVIKDCIGPFMG-KGLIPLIRSA-N 2 0 254.374 1.010 10 0 CDAERP CCN(CC[NH2+]CC=C(C)C)C(=O)C12CC[NH+](CC1)C2 ZINC001320891758 959443116 /nfs/dbraw/zinc/44/31/16/959443116.db2.gz QWHOUDRMDIWEEY-UHFFFAOYSA-N 2 0 279.428 1.487 10 0 CDAERP CC[C@H](C(=O)NC/C=C\C[NH2+]Cc1cncs1)[NH+](C)C ZINC001321113188 959600385 /nfs/dbraw/zinc/60/03/85/959600385.db2.gz WPLKMXRSZFZIMK-CFHLNLSMSA-N 2 0 296.440 1.245 10 0 CDAERP C[C@H](C[NH2+]CCC1CC1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001321652892 959891030 /nfs/dbraw/zinc/89/10/30/959891030.db2.gz SBPNYKMPBNDEKM-QWHCGFSZSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)[NH2+]C[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001321663134 959896294 /nfs/dbraw/zinc/89/62/94/959896294.db2.gz MGJOPDJBCDBKKM-KGLIPLIRSA-N 2 0 269.433 1.754 10 0 CDAERP CC[NH2+]C[C@@](C)(NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001495293954 972465014 /nfs/dbraw/zinc/46/50/14/972465014.db2.gz PVSMKUBMWFCLKR-SWLSCSKDSA-N 2 0 267.417 1.223 10 0 CDAERP CC[NH2+]C[C@@](C)(NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001495293952 972465138 /nfs/dbraw/zinc/46/51/38/972465138.db2.gz PVSMKUBMWFCLKR-IUODEOHRSA-N 2 0 267.417 1.223 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccnc2)C1)[NH+](C)C ZINC001370676410 960179445 /nfs/dbraw/zinc/17/94/45/960179445.db2.gz IPNJITGBFWDQGF-ZNMIVQPWSA-N 2 0 290.411 1.159 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001323300963 960631258 /nfs/dbraw/zinc/63/12/58/960631258.db2.gz DKKVFRCKBDMCAV-KGLIPLIRSA-N 2 0 267.417 1.175 10 0 CDAERP C[C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCCC2)C[N@@H+]1C1CC1 ZINC001433807312 960638731 /nfs/dbraw/zinc/63/87/31/960638731.db2.gz MSBMITXDBAAVOR-STQMWFEESA-N 2 0 279.428 1.602 10 0 CDAERP CC(C)[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001323319934 960642580 /nfs/dbraw/zinc/64/25/80/960642580.db2.gz UFYWTHHUSZJQOR-AAEUAGOBSA-N 2 0 264.373 1.187 10 0 CDAERP C[NH+](C)CCC(=O)NCCC1CC[NH+](CCC2CC2)CC1 ZINC001495531218 972530753 /nfs/dbraw/zinc/53/07/53/972530753.db2.gz OQCYDPNHZXGXQC-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CCF)C1 ZINC001418891715 961138224 /nfs/dbraw/zinc/13/82/24/961138224.db2.gz PMHSCNQSZQVVSE-CABCVRRESA-N 2 0 299.434 1.659 10 0 CDAERP CCN1CC[C@H]1C(=O)N1CC[N@H+](C2CCCC2)[C@@H](C)C1 ZINC001434362148 961207768 /nfs/dbraw/zinc/20/77/68/961207768.db2.gz VPQYDJMRUGLGJV-ZFWWWQNUSA-N 2 0 279.428 1.556 10 0 CDAERP CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001324260365 961269629 /nfs/dbraw/zinc/26/96/29/961269629.db2.gz HYPVWJVLEOIYBI-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP CCC[N@@H+]1CC[C@@H](N(C)C(=O)COC2CC[NH+](C)CC2)C1 ZINC001419107782 961377859 /nfs/dbraw/zinc/37/78/59/961377859.db2.gz JYCNUMHGDNSSQD-CQSZACIVSA-N 2 0 297.443 1.040 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH2+]CC1CC1 ZINC001419196818 961495083 /nfs/dbraw/zinc/49/50/83/961495083.db2.gz KBTWPYNUNHQPHI-QLFBSQMISA-N 2 0 281.444 1.611 10 0 CDAERP CC[C@@H](F)C[NH+]1CCC2(C[C@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001419213565 961507737 /nfs/dbraw/zinc/50/77/37/961507737.db2.gz VDDOBKRSIUFELO-ZIAGYGMSSA-N 2 0 299.434 1.657 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCC1CC1)C1CC1 ZINC001419236421 961536508 /nfs/dbraw/zinc/53/65/08/961536508.db2.gz BLNRNYVQBYHCMZ-CABCVRRESA-N 2 0 279.428 1.365 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1C[C@@H]([NH2+]C[C@@H](F)CC)C1)[NH+](C)C ZINC001419406541 961666657 /nfs/dbraw/zinc/66/66/57/961666657.db2.gz NFDKGLVYGNHCLM-ZDEQEGDKSA-N 2 0 273.396 1.312 10 0 CDAERP C[NH+](C)CC[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001419417648 961676380 /nfs/dbraw/zinc/67/63/80/961676380.db2.gz VYMQLOZIMSBTSN-OAGGEKHMSA-N 2 0 295.471 1.907 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001419426327 961687078 /nfs/dbraw/zinc/68/70/78/961687078.db2.gz KQARSNAXCRQOLO-XUXIUFHCSA-N 2 0 285.407 1.313 10 0 CDAERP C[C@@H](Cc1c[nH]cn1)C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC2)C1 ZINC001419497166 961762572 /nfs/dbraw/zinc/76/25/72/961762572.db2.gz NMLQQYYWBKORHP-WCFLWFBJSA-N 2 0 276.384 1.235 10 0 CDAERP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1 ZINC001419897824 962211949 /nfs/dbraw/zinc/21/19/49/962211949.db2.gz MCBSUYSRIRTCRP-HOCLYGCPSA-N 2 0 289.423 1.623 10 0 CDAERP CC(C)C[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001436978045 962538760 /nfs/dbraw/zinc/53/87/60/962538760.db2.gz LMBPLXQQFHEURD-YHUYYLMFSA-N 2 0 295.471 1.857 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+]Cc1cnc(C)s1 ZINC001437248989 962766530 /nfs/dbraw/zinc/76/65/30/962766530.db2.gz RGOCKGJBUUZFRS-NSHDSACASA-N 2 0 298.456 1.388 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)NC[C@H]2CCCC[NH+]2C)C1 ZINC001420449880 962915994 /nfs/dbraw/zinc/91/59/94/962915994.db2.gz MMPHZNWBKMHUGT-LSDHHAIUSA-N 2 0 281.444 1.707 10 0 CDAERP CC[N@H+](CCNC(=O)C[NH+]1CCCC1)C[C@@H]1CC[C@@H](C)O1 ZINC001437649063 963092254 /nfs/dbraw/zinc/09/22/54/963092254.db2.gz WUKBVCFUXVTJEN-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001437743518 963156757 /nfs/dbraw/zinc/15/67/57/963156757.db2.gz NLZJPVWQLDMFJS-UONOGXRCSA-N 2 0 285.407 1.268 10 0 CDAERP C[N@H+](CCF)C[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001437980166 963267347 /nfs/dbraw/zinc/26/73/47/963267347.db2.gz RTLLVDRCQACJBP-ZFWWWQNUSA-N 2 0 297.418 1.078 10 0 CDAERP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1conc1C ZINC001438363008 963431944 /nfs/dbraw/zinc/43/19/44/963431944.db2.gz FAZZYJQEUFJKHC-AWEZNQCLSA-N 2 0 294.399 1.063 10 0 CDAERP CC[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]Cc1cccnc1 ZINC001438376209 963435509 /nfs/dbraw/zinc/43/55/09/963435509.db2.gz NDUYTMSMJOZOSN-OAHLLOKOSA-N 2 0 292.427 1.406 10 0 CDAERP CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[NH+](C)C)C2 ZINC001421176809 963486289 /nfs/dbraw/zinc/48/62/89/963486289.db2.gz BJQHKXYCSMMKHR-MRXNPFEDSA-N 2 0 281.444 1.663 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001439146069 963654000 /nfs/dbraw/zinc/65/40/00/963654000.db2.gz ZQVZAOMBYFTWBR-RFGFWPKPSA-N 2 0 287.423 1.559 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)CCCF ZINC001439325880 963724359 /nfs/dbraw/zinc/72/43/59/963724359.db2.gz AYCFMJHLRPOKSO-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP CCC[N@@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001441239995 964431898 /nfs/dbraw/zinc/43/18/98/964431898.db2.gz FDPCXAVXTIVXNP-ZDUSSCGKSA-N 2 0 281.444 1.707 10 0 CDAERP CCC(CC)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001441338309 964467960 /nfs/dbraw/zinc/46/79/60/964467960.db2.gz PRAUVWUSOQHOML-GJZGRUSLSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)CC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC001441816501 964731844 /nfs/dbraw/zinc/73/18/44/964731844.db2.gz AOEDAVHKZJANGP-CABCVRRESA-N 2 0 293.455 1.707 10 0 CDAERP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC=C(Cl)Cl ZINC001442050318 964847695 /nfs/dbraw/zinc/84/76/95/964847695.db2.gz MIGIMTFLFVVIIM-SNVBAGLBSA-N 2 0 294.226 1.496 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(F)cc1 ZINC001442055893 964850719 /nfs/dbraw/zinc/85/07/19/964850719.db2.gz VOSFOMOJVJWXIG-OCCSQVGLSA-N 2 0 293.386 1.372 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001442181656 964897740 /nfs/dbraw/zinc/89/77/40/964897740.db2.gz SLPVMZPUZYXPPK-KBPBESRZSA-N 2 0 285.407 1.268 10 0 CDAERP C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCC[NH+]3CC=CC3)C[N@@H+]2C1 ZINC001346177100 964970327 /nfs/dbraw/zinc/97/03/27/964970327.db2.gz DMKGHVCSCVMPIY-RBSFLKMASA-N 2 0 277.412 1.095 10 0 CDAERP CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001558103100 965231766 /nfs/dbraw/zinc/23/17/66/965231766.db2.gz OHJODPXNZTUBAW-HZSPNIEDSA-N 2 0 267.417 1.317 10 0 CDAERP CC[C@H](F)C[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001442852475 965247477 /nfs/dbraw/zinc/24/74/77/965247477.db2.gz XNQKVSGRZITKDI-UONOGXRCSA-N 2 0 287.423 1.655 10 0 CDAERP C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCC[NH+]3CC=CCC3)C[N@@H+]2C1 ZINC001347018662 965332742 /nfs/dbraw/zinc/33/27/42/965332742.db2.gz OITCZFZCFCDSRO-BZUAXINKSA-N 2 0 291.439 1.485 10 0 CDAERP CC[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]Cc1cnc(C)o1 ZINC001444032322 965718041 /nfs/dbraw/zinc/71/80/41/965718041.db2.gz JEBZNOHRJWMNAW-CYBMUJFWSA-N 2 0 296.415 1.308 10 0 CDAERP C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C[NH2+]CC1CC1 ZINC001444321526 965792996 /nfs/dbraw/zinc/79/29/96/965792996.db2.gz DLTGLBFNKRMHSQ-DZGCQCFKSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ocnc1C)[NH+](C)C ZINC001444407104 965822143 /nfs/dbraw/zinc/82/21/43/965822143.db2.gz QLDLQPJJMRLTRD-WCQYABFASA-N 2 0 296.415 1.165 10 0 CDAERP CCC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001444537486 965863562 /nfs/dbraw/zinc/86/35/62/965863562.db2.gz UDZFCHYVGCOJOS-AWEZNQCLSA-N 2 0 281.444 1.757 10 0 CDAERP CC[C@H]1CCN(C(=[NH2+])NCCC2CC[NH+](C)CC2)C1 ZINC001348501296 966028890 /nfs/dbraw/zinc/02/88/90/966028890.db2.gz HRSQUWJCSMTTEJ-ZDUSSCGKSA-N 2 0 266.433 1.975 10 0 CDAERP CC(C)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001445719470 966304864 /nfs/dbraw/zinc/30/48/64/966304864.db2.gz QLWBCLBFRYKFRC-HUUCEWRRSA-N 2 0 283.460 1.952 10 0 CDAERP CC(C)(C(=O)NC[C@H]1CC[N@@H+]1CC1CCC1)[NH+]1CCCC1 ZINC001446077105 966441821 /nfs/dbraw/zinc/44/18/21/966441821.db2.gz UHONBUNXULZDMD-OAHLLOKOSA-N 2 0 293.455 1.851 10 0 CDAERP CC[C@H](F)C[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001446185826 966479545 /nfs/dbraw/zinc/47/95/45/966479545.db2.gz WVUVAIPGQLYFEB-UONOGXRCSA-N 2 0 299.434 1.847 10 0 CDAERP CN(C(=O)CC[NH+](C)C)C1C[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC001446371323 966528116 /nfs/dbraw/zinc/52/81/16/966528116.db2.gz IRAQKCXQEGYKGI-QLFBSQMISA-N 2 0 293.455 1.517 10 0 CDAERP [NH3+][C@H]1CCCC[C@@H]1c1nc(CC2CC[NH2+]CC2)no1 ZINC001350693932 966739806 /nfs/dbraw/zinc/73/98/06/966739806.db2.gz SUKDBJSAKXBHAO-RYUDHWBXSA-N 2 0 264.373 1.597 10 0 CDAERP CC[NH2+][C@@H](C)CN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001448732755 967224709 /nfs/dbraw/zinc/22/47/09/967224709.db2.gz ZISYLQVVJDSEFD-WFASDCNBSA-N 2 0 287.423 1.655 10 0 CDAERP CC[N@@H+]1CC[C@@]2(NC(=O)CCCn3ccnc3)CCC[C@@H]12 ZINC001449011693 967331434 /nfs/dbraw/zinc/33/14/34/967331434.db2.gz JTUQQBGYSVFBPA-ZBFHGGJFSA-N 2 0 290.411 1.796 10 0 CDAERP CC(C)C[NH+]1CCC([C@H](C)NC(=O)C[NH+]2CCCC2)CC1 ZINC001449374697 967445727 /nfs/dbraw/zinc/44/57/27/967445727.db2.gz QOVVYCCBIJEVMA-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP CCN1CC[C@@H]1C(=O)N1CC[N@H+](C)C2(CCCCC2)C1 ZINC001449904168 967591606 /nfs/dbraw/zinc/59/16/06/967591606.db2.gz WLQHFXKRZKNQLN-CQSZACIVSA-N 2 0 279.428 1.558 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH2+]C(C)C)C1 ZINC001480520365 968072480 /nfs/dbraw/zinc/07/24/80/968072480.db2.gz BAOUJIGWGWWSOM-KGLIPLIRSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)[C@@H]1CN(C(=O)C2([NH+](C)C)CCCC2)CC[NH2+]1 ZINC001453734380 968369806 /nfs/dbraw/zinc/36/98/06/968369806.db2.gz JVUTXTVYBBUFQP-ZDUSSCGKSA-N 2 0 267.417 1.317 10 0 CDAERP CC[C@](C)(O)C[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001460778865 969543041 /nfs/dbraw/zinc/54/30/41/969543041.db2.gz XJWHWBIBJCJNMV-HNNXBMFYSA-N 2 0 270.417 1.380 10 0 CDAERP CC[N@H+]1[C@H](C)CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001469608468 970260662 /nfs/dbraw/zinc/26/06/62/970260662.db2.gz YHNNCYJZLYKUJB-GASCZTMLSA-N 2 0 281.444 1.659 10 0 CDAERP CC[NH+]1CCC(NC(=O)C2CC[NH+](CC(C)C)CC2)CC1 ZINC001361605468 970332347 /nfs/dbraw/zinc/33/23/47/970332347.db2.gz VTXJRDODKROKGX-UHFFFAOYSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC001361764859 970505009 /nfs/dbraw/zinc/50/50/09/970505009.db2.gz KOGALEFOFSIEMM-CQSZACIVSA-N 2 0 283.460 1.811 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+](C(C)C)C2)C1 ZINC001472022876 970540097 /nfs/dbraw/zinc/54/00/97/970540097.db2.gz LBMGMCGYEUKAEI-CABCVRRESA-N 2 0 281.444 1.707 10 0 CDAERP CC[NH+](CC)CC[C@@H](C)NC(=O)C[NH2+]C(C)(C)C ZINC001522839278 970584041 /nfs/dbraw/zinc/58/40/41/970584041.db2.gz HQDOLTQOIWIIAY-GFCCVEGCSA-N 2 0 257.422 1.611 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)C[NH+]2CCCC2)C1 ZINC001361877709 970635022 /nfs/dbraw/zinc/63/50/22/970635022.db2.gz UWYLDZGIXIQSOV-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CCC[C@@H]1C[NH2+]CCCF ZINC001495591560 972547415 /nfs/dbraw/zinc/54/74/15/972547415.db2.gz NKRFSXCNONXAKR-CYBMUJFWSA-N 2 0 271.380 1.022 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH2+]CCC1CC1 ZINC001495652680 972576542 /nfs/dbraw/zinc/57/65/42/972576542.db2.gz CTXQWLORBDFQFR-JSGCOSHPSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001495670707 972586534 /nfs/dbraw/zinc/58/65/34/972586534.db2.gz WGQNXXCMFCIVAW-RBSFLKMASA-N 2 0 283.460 1.715 10 0 CDAERP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]CC1CCC1 ZINC001495810848 972646833 /nfs/dbraw/zinc/64/68/33/972646833.db2.gz YYUAKYHAFBYJIK-ZDUSSCGKSA-N 2 0 267.417 1.224 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001496230140 972849612 /nfs/dbraw/zinc/84/96/12/972849612.db2.gz QZAKMWNHPAJUCM-UONOGXRCSA-N 2 0 267.417 1.341 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1CC[NH2+]C[C@H](C)O ZINC001496418928 972917292 /nfs/dbraw/zinc/91/72/92/972917292.db2.gz LSNQPSJNACXTQS-GJZGRUSLSA-N 2 0 299.459 1.070 10 0 CDAERP CC[NH2+][C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)C ZINC001496602920 972985661 /nfs/dbraw/zinc/98/56/61/972985661.db2.gz LJBMXVDIBDBWFP-CHWSQXEVSA-N 2 0 255.406 1.079 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001372674245 973073803 /nfs/dbraw/zinc/07/38/03/973073803.db2.gz SYDKOFLCENBHPB-OAHLLOKOSA-N 2 0 279.428 1.320 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@]1(C)CC[NH+](C(C)C)C1 ZINC001569655843 1169955948 /nfs/dbraw/zinc/95/59/48/1169955948.db2.gz XODIIPZFRQHOIA-CQSZACIVSA-N 2 0 255.406 1.316 10 0 CDAERP O=C(CC[N@H+]1CC[C@@H](F)C1)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC001417615061 973198855 /nfs/dbraw/zinc/19/88/55/973198855.db2.gz ALJIURXXXRZHTH-QWHCGFSZSA-N 2 0 283.391 1.021 10 0 CDAERP C[C@@H](O)C[NH2+]CC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001497188116 973237029 /nfs/dbraw/zinc/23/70/29/973237029.db2.gz GISWFQQYBJCZDL-UONOGXRCSA-N 2 0 299.459 1.116 10 0 CDAERP CCN(CC[NH2+]Cc1conc1C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001497434510 973346124 /nfs/dbraw/zinc/34/61/24/973346124.db2.gz NPVOEMMODVCYOZ-CQSZACIVSA-N 2 0 294.399 1.015 10 0 CDAERP CCN(CC[NH2+]C[C@H](C)O)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001497465112 973358148 /nfs/dbraw/zinc/35/81/48/973358148.db2.gz UWPOJFUMULNFRD-LSDHHAIUSA-N 2 0 299.459 1.070 10 0 CDAERP CCN(CC[NH2+]Cc1ccccc1)C(=O)C[NH+]1CCCC1 ZINC001497501462 973368625 /nfs/dbraw/zinc/36/86/25/973368625.db2.gz QQXMWOPAKCSQBO-UHFFFAOYSA-N 2 0 289.423 1.721 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001417798788 973393411 /nfs/dbraw/zinc/39/34/11/973393411.db2.gz OYJMMUJCSXWDFL-KBUPBQIOSA-N 2 0 283.460 1.857 10 0 CDAERP C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+]1CC[C@@H](F)C1)C2 ZINC001417871340 973433332 /nfs/dbraw/zinc/43/33/32/973433332.db2.gz XDLDVEFWXQTOMQ-ZBFHGGJFSA-N 2 0 297.418 1.365 10 0 CDAERP C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+]1CC[C@H](F)C1)C2 ZINC001417871338 973434557 /nfs/dbraw/zinc/43/45/57/973434557.db2.gz XDLDVEFWXQTOMQ-GOEBONIOSA-N 2 0 297.418 1.365 10 0 CDAERP C[NH+](C)CCC(=O)NC/C=C\C[NH2+]CC1CCCC1 ZINC001497674144 973458748 /nfs/dbraw/zinc/45/87/48/973458748.db2.gz IHAWJGQVNQADJU-WAYWQWQTSA-N 2 0 267.417 1.390 10 0 CDAERP CC1CC(C[NH2+]C/C=C/CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001497674225 973459718 /nfs/dbraw/zinc/45/97/18/973459718.db2.gz IYUPBRIOYJPLQF-ONEGZZNKSA-N 2 0 293.455 1.636 10 0 CDAERP CC[NH2+]C/C=C/CNC(=O)CC[NH+]1CCCCC1 ZINC001497766200 973489529 /nfs/dbraw/zinc/48/95/29/973489529.db2.gz UJXIFQKFZCLRLU-SNAWJCMRSA-N 2 0 253.390 1.144 10 0 CDAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1C[NH+](CC2CC2)C1 ZINC001373562638 973490803 /nfs/dbraw/zinc/49/08/03/973490803.db2.gz YROOZXMDURRUES-STQMWFEESA-N 2 0 279.428 1.317 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]([NH2+]CC1CC1)C1CC1 ZINC001417985924 973514849 /nfs/dbraw/zinc/51/48/49/973514849.db2.gz LHMSQVYYIZGOOE-HZPDHXFCSA-N 2 0 293.455 1.755 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ocnc2C)C1)[NH+](C)C ZINC001418110566 973591300 /nfs/dbraw/zinc/59/13/00/973591300.db2.gz QLCLFLMBQLYZBW-FRRDWIJNSA-N 2 0 294.399 1.060 10 0 CDAERP CC[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001497992613 973603659 /nfs/dbraw/zinc/60/36/59/973603659.db2.gz GZUYGNYFJRWAJE-KGLIPLIRSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@@H](C[NH2+]CCC1CC1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001498060009 973654521 /nfs/dbraw/zinc/65/45/21/973654521.db2.gz KAUBQEQMYWUKPO-JSGCOSHPSA-N 2 0 267.417 1.365 10 0 CDAERP CCOCCC[NH2+]C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001498066553 973655618 /nfs/dbraw/zinc/65/56/18/973655618.db2.gz OZWKSRXZPXJIRV-AWEZNQCLSA-N 2 0 297.443 1.136 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001418330362 973752601 /nfs/dbraw/zinc/75/26/01/973752601.db2.gz KQSSPEUGHGDAPT-HIFRSBDPSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001498283050 973806803 /nfs/dbraw/zinc/80/68/03/973806803.db2.gz NOTQPZOTNVAALY-HOCLYGCPSA-N 2 0 293.455 1.731 10 0 CDAERP CC(C)OCCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001498353694 973849942 /nfs/dbraw/zinc/84/99/42/973849942.db2.gz BRQOXIFPYJXCHH-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP C[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)Cc1ccsc1 ZINC001418511984 973919182 /nfs/dbraw/zinc/91/91/82/973919182.db2.gz KHVMKUAIUZSUAR-CYBMUJFWSA-N 2 0 295.452 1.638 10 0 CDAERP C[C@@H](C[NH2+][C@H]1CCc2ccccc21)NC(=O)CC[NH+](C)C ZINC001374929149 974182049 /nfs/dbraw/zinc/18/20/49/974182049.db2.gz AJAYDWXHTUBNIJ-BBRMVZONSA-N 2 0 289.423 1.720 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001374962802 974191625 /nfs/dbraw/zinc/19/16/25/974191625.db2.gz LOJQPNCFJUUYCK-KBPBESRZSA-N 2 0 299.459 1.238 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]CC[C@H](C)F ZINC001499955007 974343352 /nfs/dbraw/zinc/34/33/52/974343352.db2.gz LQKFDVJBCOTLJW-KBPBESRZSA-N 2 0 287.423 1.655 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CCF)C1 ZINC001501649876 974617684 /nfs/dbraw/zinc/61/76/84/974617684.db2.gz AMAPFAOILRRNIU-CABCVRRESA-N 2 0 299.434 1.659 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](C[NH2+]C(C)C)C1 ZINC001376359327 974638941 /nfs/dbraw/zinc/63/89/41/974638941.db2.gz HELQOMCZVSQHBT-LSDHHAIUSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001376479754 974671316 /nfs/dbraw/zinc/67/13/16/974671316.db2.gz SKLISOIPQFGMEO-SYQHCUMBSA-N 2 0 285.407 1.313 10 0 CDAERP CC[N@@H+]1CCC[C@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001376507584 974678736 /nfs/dbraw/zinc/67/87/36/974678736.db2.gz GQNGQUGZAGCDBL-HUUCEWRRSA-N 2 0 281.444 1.709 10 0 CDAERP CC1CC(C[N@@H+]2CCC[C@@H](CNC(=O)CC[NH+](C)C)C2)C1 ZINC001376541832 974684122 /nfs/dbraw/zinc/68/41/22/974684122.db2.gz OEJHOSJQXDWSPZ-PCKAHOCUSA-N 2 0 295.471 1.812 10 0 CDAERP COC[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001502832828 974792652 /nfs/dbraw/zinc/79/26/52/974792652.db2.gz ZUIIKKUPLKEYNF-ZIAGYGMSSA-N 2 0 299.459 1.190 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CC2CCC2)CC1 ZINC001376903442 974811391 /nfs/dbraw/zinc/81/13/91/974811391.db2.gz QZWHXPQCYSNMBT-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP C[N@H+](C/C=C\Cl)C[C@@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001505460850 974888121 /nfs/dbraw/zinc/88/81/21/974888121.db2.gz BPZYSCQHGBCRMP-KUTPXYQMSA-N 2 0 299.846 1.613 10 0 CDAERP CC[C@H](C(=O)NC1CC(C[NH2+]CC(C)C)C1)[NH+](C)C ZINC001505505893 974896997 /nfs/dbraw/zinc/89/69/97/974896997.db2.gz ZPRIKVIAEZQQIZ-JXQTWKCFSA-N 2 0 269.433 1.467 10 0 CDAERP CCCC[N@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001377315480 974973446 /nfs/dbraw/zinc/97/34/46/974973446.db2.gz XWDFQLICSHQXSK-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001377482279 975047238 /nfs/dbraw/zinc/04/72/38/975047238.db2.gz XXIGATPNNHWISP-CABCVRRESA-N 2 0 281.444 1.565 10 0 CDAERP CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001506065862 975106795 /nfs/dbraw/zinc/10/67/95/975106795.db2.gz XMWKGMYNZFQULT-STQMWFEESA-N 2 0 255.406 1.317 10 0 CDAERP CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001377671392 975107089 /nfs/dbraw/zinc/10/70/89/975107089.db2.gz CKAHEXFGLPSXTG-HOTGVXAUSA-N 2 0 295.471 1.909 10 0 CDAERP CC(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001506822311 975228450 /nfs/dbraw/zinc/22/84/50/975228450.db2.gz PRIQLAKTTJLZAE-YHUYYLMFSA-N 2 0 293.455 1.278 10 0 CDAERP CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001507113059 975340840 /nfs/dbraw/zinc/34/08/40/975340840.db2.gz MQVLUXLCQHSETP-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+]CC1CC2(CCC2)C1 ZINC001378602520 975411825 /nfs/dbraw/zinc/41/18/25/975411825.db2.gz PPRSMGGPIHTWQL-AWEZNQCLSA-N 2 0 295.471 1.860 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]CCCF)C[C@@H]1C ZINC001507338185 975423885 /nfs/dbraw/zinc/42/38/85/975423885.db2.gz IGOLICWLLNFSKE-QWHCGFSZSA-N 2 0 273.396 1.265 10 0 CDAERP CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001507341362 975424592 /nfs/dbraw/zinc/42/45/92/975424592.db2.gz SNZLGWZVJMESBF-OLZOCXBDSA-N 2 0 255.406 1.316 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H]1C[N@H+](CC2CC2)CC1(C)C)[NH+](C)C ZINC001378655508 975432478 /nfs/dbraw/zinc/43/24/78/975432478.db2.gz QSPLKMMGNWHIAZ-LSDHHAIUSA-N 2 0 295.471 1.809 10 0 CDAERP CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3(C[NH+](C)C)CC3)C[C@H]2C1 ZINC001378792002 975493716 /nfs/dbraw/zinc/49/37/16/975493716.db2.gz YGIJNZGLWWZSSO-KKUMJFAQSA-N 2 0 293.455 1.565 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCCCC[C@@H]([NH2+]CCF)C1 ZINC001388815821 975607230 /nfs/dbraw/zinc/60/72/30/975607230.db2.gz ULKRKIMELVFIEW-CQSZACIVSA-N 2 0 287.423 1.659 10 0 CDAERP CN(CC[N@H+](C)CC1CCC1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001379044428 975618270 /nfs/dbraw/zinc/61/82/70/975618270.db2.gz SSHZFAQCUCXOIW-MRXNPFEDSA-N 2 0 293.455 1.519 10 0 CDAERP CC[C@H](C)C[NH2+]C1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001508141555 975621965 /nfs/dbraw/zinc/62/19/65/975621965.db2.gz PVIFXKKURPZZCL-NFOMZHRRSA-N 2 0 293.455 1.707 10 0 CDAERP C[C@@H](CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]CCF ZINC001379134553 975683235 /nfs/dbraw/zinc/68/32/35/975683235.db2.gz HNTADCWTZXNZCG-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)[NH2+]CCF ZINC001405266837 975696114 /nfs/dbraw/zinc/69/61/14/975696114.db2.gz NUFQAUJZQYGBEI-KBPBESRZSA-N 2 0 287.423 1.561 10 0 CDAERP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CC(C)(C)C1 ZINC001379320123 975761599 /nfs/dbraw/zinc/76/15/99/975761599.db2.gz FVMZBRGKYQSGOG-UKRRQHHQSA-N 2 0 295.471 1.811 10 0 CDAERP CO[C@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001405522919 975764319 /nfs/dbraw/zinc/76/43/19/975764319.db2.gz IEAOCFGSICUTHZ-RBSFLKMASA-N 2 0 299.459 1.379 10 0 CDAERP C[C@H](C[NH2+]Cc1cncs1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001379414699 975828518 /nfs/dbraw/zinc/82/85/18/975828518.db2.gz GPFHYPFMRIUSPM-VXGBXAGGSA-N 2 0 296.440 1.079 10 0 CDAERP Cc1ncc(C[NH2+]C[C@H](C)NC(=O)CCC[NH+](C)C)s1 ZINC001379534730 975912351 /nfs/dbraw/zinc/91/23/51/975912351.db2.gz HOOKRRBQVLRZCU-NSHDSACASA-N 2 0 298.456 1.388 10 0 CDAERP C[C@H](C[NH2+]CC1CCCC1)N(C)C(=O)C[NH+]1CCCC1 ZINC001405890733 975925772 /nfs/dbraw/zinc/92/57/72/975925772.db2.gz MFZLOOQRGOFPLC-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001405956765 975946908 /nfs/dbraw/zinc/94/69/08/975946908.db2.gz SAYWAMQJIRBGNK-GJZGRUSLSA-N 2 0 299.459 1.095 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]([NH2+]CC2CC2)C2CC2)C1 ZINC001398455560 975993947 /nfs/dbraw/zinc/99/39/47/975993947.db2.gz QGAAQSUURHWORB-WFASDCNBSA-N 2 0 279.428 1.223 10 0 CDAERP Cc1ccncc1C[NH2+]C1(CNC(=O)CC[NH+](C)C)CC1 ZINC001401960256 976043445 /nfs/dbraw/zinc/04/34/45/976043445.db2.gz GUXJRCXBXNLFDO-UHFFFAOYSA-N 2 0 290.411 1.080 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001398560672 976044414 /nfs/dbraw/zinc/04/44/14/976044414.db2.gz ZVDVYDNTECXEON-JHJVBQTASA-N 2 0 273.396 1.313 10 0 CDAERP Cc1cncc(C[NH2+][C@H]2C[C@@H](NC(=O)CC[NH+](C)C)C2)c1 ZINC001398623616 976079584 /nfs/dbraw/zinc/07/95/84/976079584.db2.gz LMVBCXRRIRIUEW-GASCZTMLSA-N 2 0 290.411 1.079 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H]([NH2+]C/C=C\Cl)C2)C1 ZINC001390013209 976085439 /nfs/dbraw/zinc/08/54/39/976085439.db2.gz YCBSULVDZAXZRF-MXLLUITQSA-N 2 0 285.819 1.318 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCCCO2)C1)[NH+](C)C ZINC001398663045 976096438 /nfs/dbraw/zinc/09/64/38/976096438.db2.gz LJXWWJSWJUOBIZ-BARDWOONSA-N 2 0 297.443 1.133 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CCC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001390066732 976111527 /nfs/dbraw/zinc/11/15/27/976111527.db2.gz VLAIUOFFMKVDEK-HUUCEWRRSA-N 2 0 299.434 1.659 10 0 CDAERP CC1CC(C[NH2+]C[C@@]2(C)CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001402207103 976178834 /nfs/dbraw/zinc/17/88/34/976178834.db2.gz YYRFBMNSLCLUPX-VMBOVVBDSA-N 2 0 295.471 1.812 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC1(C)CC[NH+](CC2CC2)CC1 ZINC001402206637 976180429 /nfs/dbraw/zinc/18/04/29/976180429.db2.gz OMQBLFYFWKRZRE-UHFFFAOYSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001402365235 976253305 /nfs/dbraw/zinc/25/33/05/976253305.db2.gz OYVULJOYSUATHR-UKRRQHHQSA-N 2 0 293.455 1.613 10 0 CDAERP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1cncs1 ZINC001390396458 976276769 /nfs/dbraw/zinc/27/67/69/976276769.db2.gz GGUYKWUORVRTHR-LLVKDONJSA-N 2 0 296.440 1.222 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)C1C[NH+](CC2CCCC2)C1 ZINC001380252128 976315531 /nfs/dbraw/zinc/31/55/31/976315531.db2.gz MYXUJLRZSNFXAL-UHFFFAOYSA-N 2 0 281.444 1.661 10 0 CDAERP Cc1cccc(C[NH2+][C@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001399119443 976350643 /nfs/dbraw/zinc/35/06/43/976350643.db2.gz QKBQJINXFKQIBF-ZBFHGGJFSA-N 2 0 289.423 1.541 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)CCCF ZINC001406717115 976380098 /nfs/dbraw/zinc/38/00/98/976380098.db2.gz HMSRWWWSNTXKEX-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP CC[C@H](F)C[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CCC1 ZINC001402594025 976382280 /nfs/dbraw/zinc/38/22/80/976382280.db2.gz WFWXNCQGPIEVAR-ZDUSSCGKSA-N 2 0 297.418 1.459 10 0 CDAERP CC[C@H](C(=O)NCC[C@H](C)[NH2+]C/C=C/Cl)[NH+](C)C ZINC001390674402 976430742 /nfs/dbraw/zinc/43/07/42/976430742.db2.gz XMSWQUDLEBIBMP-TXBNAWBVSA-N 2 0 275.824 1.564 10 0 CDAERP COC[C@@H](C)[NH2+][C@H](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001399405561 976466499 /nfs/dbraw/zinc/46/64/99/976466499.db2.gz ZUZUPYIBCASPMB-ZIAGYGMSSA-N 2 0 299.459 1.380 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NCC1([NH2+]CC[C@@H](C)F)CC1 ZINC001406999496 976508769 /nfs/dbraw/zinc/50/87/69/976508769.db2.gz AXVVKGQGLPIGST-GFCCVEGCSA-N 2 0 273.396 1.313 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)C1CN(CC[C@@H]2CCCO2)C1 ZINC001407087788 976547191 /nfs/dbraw/zinc/54/71/91/976547191.db2.gz UOBKBRKCBSTFIO-HNNXBMFYSA-N 2 0 297.443 1.040 10 0 CDAERP CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001380786880 976551673 /nfs/dbraw/zinc/55/16/73/976551673.db2.gz GLKPNWBNJNDVNB-LSDHHAIUSA-N 2 0 281.444 1.661 10 0 CDAERP CC[N@H+](C)CCC(=O)NCC[NH+](C)CC1CC(C)(C)C1 ZINC001390845154 976554919 /nfs/dbraw/zinc/55/49/19/976554919.db2.gz QZMHWZAGJUQSDG-UHFFFAOYSA-N 2 0 283.460 1.812 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC=C(Cl)Cl ZINC001403145854 976763334 /nfs/dbraw/zinc/76/33/34/976763334.db2.gz VKMJOCVEXSUCFO-NXEZZACHSA-N 2 0 294.226 1.351 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CC1CC(C)(C)C1 ZINC001403161702 976772327 /nfs/dbraw/zinc/77/23/27/976772327.db2.gz CTZZTBUFSLLOGU-ZDUSSCGKSA-N 2 0 283.460 1.811 10 0 CDAERP CC[C@H](C)C[N@H+](C)[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001381561965 976917049 /nfs/dbraw/zinc/91/70/49/976917049.db2.gz CZVSTHACMIRQIJ-KBPBESRZSA-N 2 0 283.460 1.811 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CCF)C1 ZINC001400216965 976931780 /nfs/dbraw/zinc/93/17/80/976931780.db2.gz KRVXENBQRPFLEK-CABCVRRESA-N 2 0 299.434 1.611 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC1CC1 ZINC001391536305 976941572 /nfs/dbraw/zinc/94/15/72/976941572.db2.gz KXLOTIOJUHGRRC-GJZGRUSLSA-N 2 0 279.428 1.413 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[NH+](C(C)C)C[C@@H]2C1 ZINC001403419407 976944551 /nfs/dbraw/zinc/94/45/51/976944551.db2.gz QBLJOURBBGBYFO-OWCLPIDISA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)CC[C@@H]1CCOC1 ZINC001381642653 976966193 /nfs/dbraw/zinc/96/61/93/976966193.db2.gz HLLUJZGFVMFUBE-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C[NH2+]CC1CCC1 ZINC001391888753 977136333 /nfs/dbraw/zinc/13/63/33/977136333.db2.gz QQFSRJIXLSOTOB-BBRMVZONSA-N 2 0 293.455 1.470 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccns1)N(C)C(=O)C[NH+]1CCCC1 ZINC001392128404 977229870 /nfs/dbraw/zinc/22/98/70/977229870.db2.gz FYOXVNUEWBANSA-LBPRGKRZSA-N 2 0 296.440 1.175 10 0 CDAERP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cnc(C)o1 ZINC001400909627 977239441 /nfs/dbraw/zinc/23/94/41/977239441.db2.gz ACRSPMZCJIGGPK-CYBMUJFWSA-N 2 0 294.399 1.063 10 0 CDAERP CC(C)[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CCF ZINC001392225850 977270929 /nfs/dbraw/zinc/27/09/29/977270929.db2.gz KNOZHQWDLHJIIP-CQSZACIVSA-N 2 0 299.434 1.562 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCN(C)C(=O)CCn1ccnc1 ZINC001392292086 977387679 /nfs/dbraw/zinc/38/76/79/977387679.db2.gz DYUVVTKUWZRABN-CQSZACIVSA-N 2 0 280.416 1.710 10 0 CDAERP CC(C)(C(=O)NCC1([NH2+]CCC2CC2)CC1)[NH+]1CCCC1 ZINC001392925869 977654233 /nfs/dbraw/zinc/65/42/33/977654233.db2.gz QPENNMCUXGEIMV-UHFFFAOYSA-N 2 0 293.455 1.899 10 0 CDAERP CC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001393962035 977985302 /nfs/dbraw/zinc/98/53/02/977985302.db2.gz YKAFCGVTXRIEMD-UONOGXRCSA-N 2 0 291.439 1.907 10 0 CDAERP CC[C@H](F)CN1CC[C@H]1CN(C)C(=O)CCC[NH+](C)C ZINC001397007359 978570266 /nfs/dbraw/zinc/57/02/66/978570266.db2.gz WSWMJJKUUPAISI-KBPBESRZSA-N 2 0 287.423 1.609 10 0 CDAERP CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@H]1C ZINC001674153849 1173919933 /nfs/dbraw/zinc/91/99/33/1173919933.db2.gz JABFZEGAOMQCDJ-OLZOCXBDSA-N 2 0 255.406 1.316 10 0 CDAERP C[C@@H](F)CC[NH2+]CC1CC(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001674578613 1173964711 /nfs/dbraw/zinc/96/47/11/1173964711.db2.gz HPVBVQCVDZMJGR-DNOWBOINSA-N 2 0 299.434 1.561 10 0 CDAERP CCC[NH2+]CC(C)(C)CN(C)C(=O)CC[NH+](C)C ZINC001674856654 1174015978 /nfs/dbraw/zinc/01/59/78/1174015978.db2.gz JEIYANSNVRSSQE-UHFFFAOYSA-N 2 0 257.422 1.422 10 0 CDAERP CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]C(C)C)C1)[NH+](C)C ZINC001570014718 1170057078 /nfs/dbraw/zinc/05/70/78/1170057078.db2.gz AYZAVTQKEOIJSY-ZIAGYGMSSA-N 2 0 269.433 1.563 10 0 CDAERP CC[NH2+]CCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001571307998 1170361577 /nfs/dbraw/zinc/36/15/77/1170361577.db2.gz JDXRVJWJLVBAAD-QWHCGFSZSA-N 2 0 255.406 1.223 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001656210992 1171793544 /nfs/dbraw/zinc/79/35/44/1171793544.db2.gz VUYLRZMOXSGFHF-SHTZXODSSA-N 2 0 293.455 1.899 10 0 CDAERP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1cccc(-n2cnnn2)c1 ZINC000650742853 398172754 /nfs/dbraw/zinc/17/27/54/398172754.db2.gz FZOOFUSXSGKIER-GFCCVEGCSA-N 2 0 286.383 1.442 10 0 CDAERP COC[C@H]([NH2+]CCC1(C[NH3+])CC1)C1CCOCC1 ZINC000650746857 398173646 /nfs/dbraw/zinc/17/36/46/398173646.db2.gz MKGNZTDPGIRHDJ-ZDUSSCGKSA-N 2 0 256.390 1.147 10 0 CDAERP [NH3+]CCN1CC[NH2+]C[C@@H]1c1cccc2ncccc21 ZINC000616636009 342121269 /nfs/dbraw/zinc/12/12/69/342121269.db2.gz IMEGJKJGYFEGCG-OAHLLOKOSA-N 2 0 256.353 1.140 10 0 CDAERP CC(C)[C@H](C(=O)N(C)CC1C[NH+](C)C1)[NH+]1CCCCC1 ZINC000618195178 342143140 /nfs/dbraw/zinc/14/31/40/342143140.db2.gz YGYWTJCMPCHWNH-OAHLLOKOSA-N 2 0 281.444 1.517 10 0 CDAERP CC(C)[C@H]1C[C@H]([NH2+]CC2([NH3+])CCOCC2)CCO1 ZINC000629389241 361894678 /nfs/dbraw/zinc/89/46/78/361894678.db2.gz XBKKYGTVWWUCDZ-CHWSQXEVSA-N 2 0 256.390 1.288 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1cccc(Cl)c1F ZINC000629399092 361920307 /nfs/dbraw/zinc/92/03/07/361920307.db2.gz LJSAMRACSIYTPA-UHFFFAOYSA-N 2 0 260.740 1.934 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)NCC[NH+]1CCCC[C@H]1C ZINC000351763113 361922458 /nfs/dbraw/zinc/92/24/58/361922458.db2.gz FLPDNCPTRKMZPS-OAHLLOKOSA-N 2 0 298.475 1.892 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000629398781 361933082 /nfs/dbraw/zinc/93/30/82/361933082.db2.gz YTRNETFFVYQTGF-UHFFFAOYSA-N 2 0 274.368 1.327 10 0 CDAERP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000151326645 539073581 /nfs/dbraw/zinc/07/35/81/539073581.db2.gz XTGTZRMEHHVIOG-LSDHHAIUSA-N 2 0 299.459 1.070 10 0 CDAERP COC(=O)CCCC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000600709793 342243557 /nfs/dbraw/zinc/24/35/57/342243557.db2.gz JHOOFPGBKKCZJO-ZIAGYGMSSA-N 2 0 268.401 1.794 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)CCCC[NH+](C)C ZINC000620624401 342259983 /nfs/dbraw/zinc/25/99/83/342259983.db2.gz UXBSLCNXOOOOOW-UHFFFAOYSA-N 2 0 271.449 1.955 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCN1CC[NH+](CCCF)CC1 ZINC000626070924 342298885 /nfs/dbraw/zinc/29/88/85/342298885.db2.gz IANPAGMPTRJQRC-AWEZNQCLSA-N 2 0 257.397 1.448 10 0 CDAERP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000594914254 342967520 /nfs/dbraw/zinc/96/75/20/342967520.db2.gz GRBHCPCXIKWWFL-VHDGCEQUSA-N 2 0 282.428 1.894 10 0 CDAERP C[C@H](CSCCF)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000595009896 342989743 /nfs/dbraw/zinc/98/97/43/342989743.db2.gz DVDJZCONBZHQMY-UONOGXRCSA-N 2 0 291.480 1.551 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594944794 342980452 /nfs/dbraw/zinc/98/04/52/342980452.db2.gz CFVFZRSBNCIHKW-UJPOAAIJSA-N 2 0 254.374 1.114 10 0 CDAERP O[C@@H]1CC[NH2+]C[C@H]1N1CCC(c2ccccc2)CC1 ZINC000033994963 362050991 /nfs/dbraw/zinc/05/09/91/362050991.db2.gz XUPDJGDKEAPXHU-HZPDHXFCSA-N 2 0 260.381 1.589 10 0 CDAERP CCC[N@H+](CCOC1CCOCC1)C1CC[NH2+]CC1 ZINC000629517463 362131859 /nfs/dbraw/zinc/13/18/59/362131859.db2.gz RFMCCWSJASJHAQ-UHFFFAOYSA-N 2 0 270.417 1.646 10 0 CDAERP CC(C)OC(=O)CCN1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595905648 343188474 /nfs/dbraw/zinc/18/84/74/343188474.db2.gz FFNVVUDYSOUSNL-CQSZACIVSA-N 2 0 286.416 1.371 10 0 CDAERP [NH3+]CC1(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)CCCC1 ZINC000645105289 362118659 /nfs/dbraw/zinc/11/86/59/362118659.db2.gz YOIHXZFCIFJZAI-KGLIPLIRSA-N 2 0 279.428 1.496 10 0 CDAERP C[C@@H](CCCc1cccnc1)[NH2+]CC1([NH3+])CCOCC1 ZINC000629522113 362141270 /nfs/dbraw/zinc/14/12/70/362141270.db2.gz XVOVWBORBUCBIA-AWEZNQCLSA-N 2 0 277.412 1.890 10 0 CDAERP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]CC2([NH3+])CCOCC2)C1 ZINC000629521044 362135794 /nfs/dbraw/zinc/13/57/94/362135794.db2.gz OAFAXKNXQLJIGV-UONOGXRCSA-N 2 0 292.427 1.544 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000629530208 362158826 /nfs/dbraw/zinc/15/88/26/362158826.db2.gz ZJNIGUSSRLWBGF-NVXWUHKLSA-N 2 0 292.423 1.980 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000629528188 362152457 /nfs/dbraw/zinc/15/24/57/362152457.db2.gz RTSZONLEXZDWIF-VQJWOFKYSA-N 2 0 251.418 1.589 10 0 CDAERP CSC1(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000597236844 343490987 /nfs/dbraw/zinc/49/09/87/343490987.db2.gz USPJOTJCEVFVMC-CYBMUJFWSA-N 2 0 270.442 1.413 10 0 CDAERP C[C@@H]1C[N@H+](C)[C@H](C)CN1c1nc(N)nc2c1CCCC2 ZINC000645203931 362370592 /nfs/dbraw/zinc/37/05/92/362370592.db2.gz GPLHQVUAJLTGCV-GHMZBOCLSA-N 2 0 275.400 1.297 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000257732475 344382554 /nfs/dbraw/zinc/38/25/54/344382554.db2.gz VFURBSHQORDKLL-UONOGXRCSA-N 2 0 267.417 1.367 10 0 CDAERP c1cnc(N2CC[NH2+]CC2)c(C[NH+]2CCCCCC2)c1 ZINC000253565418 362438039 /nfs/dbraw/zinc/43/80/39/362438039.db2.gz HSGLZRGKBMGBLM-UHFFFAOYSA-N 2 0 274.412 1.867 10 0 CDAERP C[C@H](CNC(=O)CC1([NH3+])CCCC1)C[NH+]1CCCC1 ZINC000084186467 178820458 /nfs/dbraw/zinc/82/04/58/178820458.db2.gz RQVLPCOGGHJGPQ-CYBMUJFWSA-N 2 0 267.417 1.496 10 0 CDAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000263289258 362578422 /nfs/dbraw/zinc/57/84/22/362578422.db2.gz VKSOHMZONIXDKA-SLBVQIDZSA-N 2 0 278.371 1.632 10 0 CDAERP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCCCO1)N1CC[NH+](C)CC1 ZINC000623888884 345623212 /nfs/dbraw/zinc/62/32/12/345623212.db2.gz XOLQIAFBJRGEQI-ILXRZTDVSA-N 2 0 269.433 1.170 10 0 CDAERP C[NH+](C)CCCNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000623366738 346098126 /nfs/dbraw/zinc/09/81/26/346098126.db2.gz HJAYEFIQLFCTFM-HNNXBMFYSA-N 2 0 296.459 1.644 10 0 CDAERP COCC[N@H+](C)CCN[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000623396360 346153523 /nfs/dbraw/zinc/15/35/23/346153523.db2.gz PUWDIGXTNQDTRG-CYBMUJFWSA-N 2 0 257.422 1.027 10 0 CDAERP CCCC[C@H](C[NH3+])NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000418446003 535029221 /nfs/dbraw/zinc/02/92/21/535029221.db2.gz NNFRPVLTHKVNPA-KGLIPLIRSA-N 2 0 280.416 1.160 10 0 CDAERP CCC(CC)[N@H+](CCOC)C[C@@](O)(C[NH3+])C1CC1 ZINC000085301553 179009777 /nfs/dbraw/zinc/00/97/77/179009777.db2.gz GRARGXMUOBFEMU-AWEZNQCLSA-N 2 0 258.406 1.223 10 0 CDAERP COCC[N@H+](CCCC[C@](C)(O)C[NH3+])CC(C)C ZINC000085300783 179010089 /nfs/dbraw/zinc/01/00/89/179010089.db2.gz LORIHPTXCZYKDV-AWEZNQCLSA-N 2 0 260.422 1.471 10 0 CDAERP C[C@](O)(C[NH3+])CCC[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000085299996 179009899 /nfs/dbraw/zinc/00/98/99/179009899.db2.gz OOGQADDKXXVTOY-JKSUJKDBSA-N 2 0 262.397 1.966 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000635879727 362669190 /nfs/dbraw/zinc/66/91/90/362669190.db2.gz KRYLTOCNCQUVLS-NRXISQOPSA-N 2 0 279.428 1.604 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1C(=O)NCCC[NH+]1CCCCC1 ZINC000085358230 179031335 /nfs/dbraw/zinc/03/13/35/179031335.db2.gz FFULDKBBWGZBPQ-CHWSQXEVSA-N 2 0 253.390 1.106 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000085370703 179040693 /nfs/dbraw/zinc/04/06/93/179040693.db2.gz XWIPXGLOOJKNAB-SOUVJXGZSA-N 2 0 275.396 1.533 10 0 CDAERP CCNC(=O)C[N@@H+]1CCCCC[C@H]1C1CC[NH2+]CC1 ZINC000085403784 179053125 /nfs/dbraw/zinc/05/31/25/179053125.db2.gz MIXGHMYNMWFGEE-AWEZNQCLSA-N 2 0 267.417 1.367 10 0 CDAERP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C1C[NH2+]C1 ZINC000263298889 362724286 /nfs/dbraw/zinc/72/42/86/362724286.db2.gz MZMLWSVEFRYSRX-UHFFFAOYSA-N 2 0 297.349 1.074 10 0 CDAERP CC(C)Cc1nc2c(n1CC[NH+](C)C)CC[NH2+]C2 ZINC000085568289 179094874 /nfs/dbraw/zinc/09/48/74/179094874.db2.gz BBVLUSJLTJUDNU-UHFFFAOYSA-N 2 0 250.390 1.289 10 0 CDAERP FC(F)(F)c1nc2c(n1CC[NH+]1CCCC1)CC[NH2+]C2 ZINC000085570960 179096016 /nfs/dbraw/zinc/09/60/16/179096016.db2.gz ZNGZGCHHNUWZRW-UHFFFAOYSA-N 2 0 288.317 1.643 10 0 CDAERP C[N@@H+]1CC[C@@H](Cn2c3c(nc2C(F)(F)F)C[NH2+]CC3)C1 ZINC000085570467 179096430 /nfs/dbraw/zinc/09/64/30/179096430.db2.gz XXRQGCOBYPYWLP-SECBINFHSA-N 2 0 288.317 1.499 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000226394079 346518316 /nfs/dbraw/zinc/51/83/16/346518316.db2.gz GPWGKVRREQBICT-LSDHHAIUSA-N 2 0 275.396 1.677 10 0 CDAERP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2C[NH2+]C2)C1 ZINC000263307742 362763873 /nfs/dbraw/zinc/76/38/73/362763873.db2.gz ORQZZYCFDKJABX-GFCCVEGCSA-N 2 0 267.417 1.223 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCNC(=O)C2CCC2)CC1(C)C ZINC000623440290 346758453 /nfs/dbraw/zinc/75/84/53/346758453.db2.gz QXNSTHXKFKLDRT-AWEZNQCLSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H]1C[C@H](NC(=O)C2C[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000263328969 362775387 /nfs/dbraw/zinc/77/53/87/362775387.db2.gz UFYPEVFMFBNGBR-XJKSGUPXSA-N 2 0 287.407 1.375 10 0 CDAERP CC[C@@H](C)[C@H]1CN([C@@H]2CCC[N@H+](CC)C2)CC[NH2+]1 ZINC000086143090 179237428 /nfs/dbraw/zinc/23/74/28/179237428.db2.gz PINUPRUOANAOMG-RBSFLKMASA-N 2 0 253.434 1.791 10 0 CDAERP CC[C@@H]1C[NH2+][C@H](C)CN1C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000086174177 179245609 /nfs/dbraw/zinc/24/56/09/179245609.db2.gz VPEOXEMICXYOCH-RBSFLKMASA-N 2 0 253.434 1.789 10 0 CDAERP C[C@@H]1C[NH2+]C2(CCCCC2)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223112 179251491 /nfs/dbraw/zinc/25/14/91/179251491.db2.gz SBMRSFSRIZGKCV-HUUCEWRRSA-N 2 0 265.445 1.935 10 0 CDAERP CC[C@H]1C[NH2+][C@](C)(CC)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086182619 179247803 /nfs/dbraw/zinc/24/78/03/179247803.db2.gz ZNGHGLNDWWUJCW-ARFHVFGLSA-N 2 0 265.445 1.933 10 0 CDAERP CC[C@H]1CN[C@@H](C2CC2)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086259050 179256931 /nfs/dbraw/zinc/25/69/31/179256931.db2.gz IAKLFMCFKFZGNO-JKSUJKDBSA-N 2 0 265.445 1.791 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@@]3(CC[NH+](C)C3)C2)CC[N@@H+]1C ZINC000615600374 348606081 /nfs/dbraw/zinc/60/60/81/348606081.db2.gz CDGCCCASCZBQBS-ZOBUZTSGSA-N 2 0 293.455 1.661 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000073812495 350047531 /nfs/dbraw/zinc/04/75/31/350047531.db2.gz SFIZABUOYBXOCO-LSDHHAIUSA-N 2 0 296.459 1.454 10 0 CDAERP CC[N@H+](Cc1ccccc1)C1CCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000091351802 180137502 /nfs/dbraw/zinc/13/75/02/180137502.db2.gz HYNJGLOWAGAAJC-AWEZNQCLSA-N 2 0 289.423 1.847 10 0 CDAERP CC(C)C[C@@H]([NH3+])CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000414694809 365965633 /nfs/dbraw/zinc/96/56/33/365965633.db2.gz GAGWETJQGVRLRH-LSDHHAIUSA-N 2 0 253.434 1.778 10 0 CDAERP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3CCCC[C@H]3O)C[C@@H]2C1 ZINC001659716858 1172131275 /nfs/dbraw/zinc/13/12/75/1172131275.db2.gz VHPOGCZPYGQWMN-APIJFGDWSA-N 2 0 252.402 1.421 10 0 CDAERP Cn1c2cc(C[NH2+][C@@H]3CCC[C@@H]3C[NH3+])ccc2oc1=O ZINC000629548226 362975525 /nfs/dbraw/zinc/97/55/25/362975525.db2.gz MOHMFCRDDFKEAE-VXGBXAGGSA-N 2 0 275.352 1.349 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)CC[C@H]2CCC[NH2+]C2)CC[N@@H+]1C ZINC000621651095 350690018 /nfs/dbraw/zinc/69/00/18/350690018.db2.gz HDYBOPAJSXVLMT-RBSFLKMASA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000641943243 365996670 /nfs/dbraw/zinc/99/66/70/365996670.db2.gz MBQBWTCXOQAXBA-MELADBBJSA-N 2 0 282.432 1.382 10 0 CDAERP C[NH+](C)C1CC(NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000622008429 350931963 /nfs/dbraw/zinc/93/19/63/350931963.db2.gz NDGSAMPRZNKUMO-UHFFFAOYSA-N 2 0 258.325 1.157 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1cc(OC)ccc1F ZINC000622043422 350949312 /nfs/dbraw/zinc/94/93/12/350949312.db2.gz ANPIZMMYTKQWMZ-GFCCVEGCSA-N 2 0 270.348 1.678 10 0 CDAERP CCc1cnc(CC[NH2+]C[C@@H](O)C[NH+]2CCCC2)s1 ZINC000629562989 363009683 /nfs/dbraw/zinc/00/96/83/363009683.db2.gz DCGXJVXWRCDSHG-GFCCVEGCSA-N 2 0 283.441 1.294 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000623889933 351320664 /nfs/dbraw/zinc/32/06/64/351320664.db2.gz ZPNWYDXBYAKQGR-RBSFLKMASA-N 2 0 269.433 1.170 10 0 CDAERP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CCC(=O)NC2(C)C)C1 ZINC000624123720 351429738 /nfs/dbraw/zinc/42/97/38/351429738.db2.gz RKZGLXSPPAYESH-CHWSQXEVSA-N 2 0 267.417 1.365 10 0 CDAERP [NH3+][C@H](CC1CCCCC1)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000333758471 363135884 /nfs/dbraw/zinc/13/58/84/363135884.db2.gz AEOYEHYXIAMWBC-CQSZACIVSA-N 2 0 279.428 1.639 10 0 CDAERP Cc1cccc(CN(CC[NH+](C)C)C(=O)[C@@H](C)[NH3+])c1 ZINC000157687793 188332134 /nfs/dbraw/zinc/33/21/34/188332134.db2.gz PHGBLQGUXCGZIN-CYBMUJFWSA-N 2 0 263.385 1.232 10 0 CDAERP c1nc2n(n1)[C@@H](C[N@H+]1CC[C@@H](C[NH+]3CCCC3)C1)CC2 ZINC000639497209 363223099 /nfs/dbraw/zinc/22/30/99/363223099.db2.gz ZXNARMDIUHIXHM-UONOGXRCSA-N 2 0 275.400 1.183 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1cccc2c1NCC2 ZINC000629654380 363251929 /nfs/dbraw/zinc/25/19/29/363251929.db2.gz QAQGHEBKIPZLCP-UHFFFAOYSA-N 2 0 263.385 1.322 10 0 CDAERP Cn1c2ccc(C[N@H+](C)CCOCC[NH3+])cc2sc1=O ZINC000629661616 363316310 /nfs/dbraw/zinc/31/63/10/363316310.db2.gz BUPYJLWWRDXJQM-UHFFFAOYSA-N 2 0 295.408 1.007 10 0 CDAERP C[N@H+](CCOCC[NH3+])Cc1ccccc1OCC1CC1 ZINC000629663154 363318383 /nfs/dbraw/zinc/31/83/83/363318383.db2.gz JWVYGKLJSNPQQQ-UHFFFAOYSA-N 2 0 278.396 1.883 10 0 CDAERP C[N@@H+](Cc1ccccc1)C[C@H](O)CN[C@@H]1CCC[NH+](C)C1 ZINC000644548171 366165949 /nfs/dbraw/zinc/16/59/49/366165949.db2.gz RUFDZHAKDXQVKF-IAGOWNOFSA-N 2 0 291.439 1.163 10 0 CDAERP CC(C)n1ncnc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000631157449 363401853 /nfs/dbraw/zinc/40/18/53/363401853.db2.gz AZIPBICCUIEGTQ-ZDUSSCGKSA-N 2 0 265.405 1.681 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000220090058 356430972 /nfs/dbraw/zinc/43/09/72/356430972.db2.gz WPQQQQGPYBAZTO-OLZOCXBDSA-N 2 0 269.433 1.611 10 0 CDAERP C[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)C[C@@H]1CCCO1 ZINC000211931375 356581925 /nfs/dbraw/zinc/58/19/25/356581925.db2.gz XDUZPSCNUONJKT-INIZCTEOSA-N 2 0 260.381 1.943 10 0 CDAERP O=C([C@@H]1C[C@]12CCC[NH2+]C2)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000655450286 538476555 /nfs/dbraw/zinc/47/65/55/538476555.db2.gz IWBZTJPXPNDODW-JKQORVJESA-N 2 0 291.439 1.367 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC000349141067 283230785 /nfs/dbraw/zinc/23/07/85/283230785.db2.gz CBRWSFJUKGYINR-CQSZACIVSA-N 2 0 269.433 1.661 10 0 CDAERP CCn1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cn1 ZINC000367614637 357332174 /nfs/dbraw/zinc/33/21/74/357332174.db2.gz INVACTGHCVZQII-RBSFLKMASA-N 2 0 262.401 1.865 10 0 CDAERP CCCNC(=O)CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353455044 283363217 /nfs/dbraw/zinc/36/32/17/283363217.db2.gz NTRRSZSTQFORSJ-MCIONIFRSA-N 2 0 267.417 1.365 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](C)C[C@H]2C(C)C)CC[N@@H+]1C ZINC000631423043 358359132 /nfs/dbraw/zinc/35/91/32/358359132.db2.gz JVIDKSUFPOBMCL-ZNMIVQPWSA-N 2 0 281.444 1.515 10 0 CDAERP C[NH+](C)CC(C)(C)CNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634762660 358445688 /nfs/dbraw/zinc/44/56/88/358445688.db2.gz CUYKEENIZYYXKJ-WFASDCNBSA-N 2 0 267.417 1.080 10 0 CDAERP C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000569572928 358628868 /nfs/dbraw/zinc/62/88/68/358628868.db2.gz IWLCOYULQBNTFE-ZNMIVQPWSA-N 2 0 281.444 1.694 10 0 CDAERP C[C@@H]1CN(C)C[C@H]1[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000358037061 358798952 /nfs/dbraw/zinc/79/89/52/358798952.db2.gz LZRTZOINWBDWJH-LVQVYYBASA-N 3 0 283.460 1.416 10 0 CDAERP C[NH+]1CCC(NC(=O)c2ccccc2CC[NH3+])CC1 ZINC000070541678 358965403 /nfs/dbraw/zinc/96/54/03/358965403.db2.gz OHPHKMIYIBWYKU-UHFFFAOYSA-N 2 0 261.369 1.012 10 0 CDAERP CC[N@@H+]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000335206135 359042501 /nfs/dbraw/zinc/04/25/01/359042501.db2.gz VMQVDNPPXOEGJT-ZDUSSCGKSA-N 2 0 267.417 1.271 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@@H]1CCC[NH+]1C ZINC000346129402 358982203 /nfs/dbraw/zinc/98/22/03/358982203.db2.gz YFOWATSRNDVTSQ-XQQFMLRXSA-N 2 0 253.390 1.070 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N1CCC[NH2+]CC1 ZINC000335211888 359048521 /nfs/dbraw/zinc/04/85/21/359048521.db2.gz ZHGLQVNZDJXEPE-KBPBESRZSA-N 2 0 282.432 1.254 10 0 CDAERP Cc1nc[nH]c1CNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000335249940 359110831 /nfs/dbraw/zinc/11/08/31/359110831.db2.gz NEMZQZAQKNUMJB-RYUDHWBXSA-N 2 0 264.373 1.632 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000262902849 359196760 /nfs/dbraw/zinc/19/67/60/359196760.db2.gz DTGMCTONEMFKNF-IIAWOOMASA-N 2 0 281.444 1.885 10 0 CDAERP CN(C(=O)CCCC[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309804447 359136659 /nfs/dbraw/zinc/13/66/59/359136659.db2.gz TVEVJGJZXHUJTQ-MRXNPFEDSA-N 2 0 289.423 1.848 10 0 CDAERP CCC(CC)(C[NH3+])C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000165283615 363653368 /nfs/dbraw/zinc/65/33/68/363653368.db2.gz WCUJAOUMJRPNFI-UHFFFAOYSA-N 2 0 281.444 1.838 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC000347513334 359406514 /nfs/dbraw/zinc/40/65/14/359406514.db2.gz DBMSEQNYBFQZFV-AWEZNQCLSA-N 2 0 267.417 1.319 10 0 CDAERP O=C(CN1CC[C@@]2(CC[NH2+]C2)C1)NC1CCCCC1 ZINC000261608223 359459098 /nfs/dbraw/zinc/45/90/98/359459098.db2.gz RTFNWHBEFBUTFJ-OAHLLOKOSA-N 2 0 265.401 1.121 10 0 CDAERP CN(CCC(=O)NC(C)(C)C[NH+](C)C)c1cc[nH+]cc1 ZINC000560477429 359657688 /nfs/dbraw/zinc/65/76/88/359657688.db2.gz FRJHGIRKRGYICG-UHFFFAOYSA-N 2 0 278.400 1.364 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC([NH2+]C(C)C)CC2)C1 ZINC000111836744 359670406 /nfs/dbraw/zinc/67/04/06/359670406.db2.gz MRWIJNXZFDQMDB-OAHLLOKOSA-N 2 0 296.459 1.643 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@H]1Cc1ccccc1 ZINC000422920136 359676281 /nfs/dbraw/zinc/67/62/81/359676281.db2.gz LONSGSGWSNHTDW-OWCLPIDISA-N 2 0 262.397 1.961 10 0 CDAERP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000422979373 359694641 /nfs/dbraw/zinc/69/46/41/359694641.db2.gz MLJJUIYKCXMUJU-XQLPTFJDSA-N 2 0 272.433 1.516 10 0 CDAERP O[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423165405 359755528 /nfs/dbraw/zinc/75/55/28/359755528.db2.gz PYFIOPGRIKYGOQ-VQJWOFKYSA-N 2 0 252.402 1.658 10 0 CDAERP [NH3+]CCCNC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000637383785 359835619 /nfs/dbraw/zinc/83/56/19/359835619.db2.gz IXYDFPVXWVEXCU-UHFFFAOYSA-N 2 0 296.459 1.633 10 0 CDAERP CC[C@H]1CC[C@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423516770 359837108 /nfs/dbraw/zinc/83/71/08/359837108.db2.gz XMGOGNNSILJLRJ-SLTXQBBLSA-N 2 0 265.445 1.981 10 0 CDAERP CC(C)[C@@H](O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000336829857 359903871 /nfs/dbraw/zinc/90/38/71/359903871.db2.gz JATFTQMJRVHTOS-INIZCTEOSA-N 2 0 284.444 1.580 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)c2cccnc2)[C@@H]2CCC[C@@H]21 ZINC000348233202 359964409 /nfs/dbraw/zinc/96/44/09/359964409.db2.gz USCXVOJVMBKOHP-QZWWFDLISA-N 2 0 289.423 1.620 10 0 CDAERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000348331451 360041609 /nfs/dbraw/zinc/04/16/09/360041609.db2.gz BDNTYATZNVKFHZ-CYBMUJFWSA-N 2 0 258.406 1.190 10 0 CDAERP C[C@H]([NH2+]C[C@@H](c1cccs1)N(C)C)[C@H]1CC[NH2+]C1 ZINC000400324769 299305640 /nfs/dbraw/zinc/30/56/40/299305640.db2.gz BAHWJUJVGJSMGO-AVGNSLFASA-N 2 0 267.442 1.938 10 0 CDAERP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000335430595 360170072 /nfs/dbraw/zinc/17/00/72/360170072.db2.gz RYKDPPUDVUFMRI-DZGCQCFKSA-N 2 0 273.380 1.213 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CCC[NH+](C)C2)CC[N@@H+]1C ZINC000631320231 360219582 /nfs/dbraw/zinc/21/95/82/360219582.db2.gz FYPDCONRJNQXCX-SOUVJXGZSA-N 2 0 281.444 1.517 10 0 CDAERP Cc1n[nH]cc1CN1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000093148296 360291974 /nfs/dbraw/zinc/29/19/74/360291974.db2.gz YCASZXQWRBQLNI-MRXNPFEDSA-N 2 0 291.443 1.320 10 0 CDAERP O=C(NC1CC([NH+]2CCCCC2)C1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000335475319 360332740 /nfs/dbraw/zinc/33/27/40/360332740.db2.gz AFWZBJNWDUNGPH-VKJZCYHPSA-N 2 0 277.412 1.119 10 0 CDAERP CN(C(=O)[C@H]1[NH2+]CCCC1(C)C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000335484880 360346457 /nfs/dbraw/zinc/34/64/57/360346457.db2.gz WIGUQZVIQZCMGA-ZIAGYGMSSA-N 2 0 279.428 1.460 10 0 CDAERP Cc1cccc([C@@H]2C(=O)NCCN2CCc2cncn2C)c1 ZINC000566487342 360474285 /nfs/dbraw/zinc/47/42/85/360474285.db2.gz QRGOZKXMVDEDGQ-MRXNPFEDSA-N 2 0 298.390 1.444 10 0 CDAERP [NH3+][C@@H](CNC(=O)N1CC[NH+]2CCC1CC2)c1ccccc1 ZINC000335614500 360554132 /nfs/dbraw/zinc/55/41/32/360554132.db2.gz VDNLWSAHXYNGLY-HNNXBMFYSA-N 2 0 288.395 1.176 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]C[C@H](CO)c2cccnc2)CC[N@@H+]1C ZINC000348690900 360544311 /nfs/dbraw/zinc/54/43/11/360544311.db2.gz YWBAKZUOOXSCEJ-YUELXQCFSA-N 2 0 263.385 1.230 10 0 CDAERP O=C(NCCC[NH+]1CCCCC1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000626925961 360643091 /nfs/dbraw/zinc/64/30/91/360643091.db2.gz VJEIAEUTVSMPNZ-CQSZACIVSA-N 2 0 294.443 1.446 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCC[NH+]1CCCCC1 ZINC000626925933 360643189 /nfs/dbraw/zinc/64/31/89/360643189.db2.gz UQLNFHWLUHQKND-UONOGXRCSA-N 2 0 282.432 1.302 10 0 CDAERP COc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cc1O ZINC000634999046 360636435 /nfs/dbraw/zinc/63/64/35/360636435.db2.gz PERVFTYIXJVGSQ-PWSUYJOCSA-N 2 0 250.342 1.427 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000417856120 360784987 /nfs/dbraw/zinc/78/49/87/360784987.db2.gz RWUSMMOWHCSDJY-RQJABVFESA-N 2 0 282.432 1.156 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000418022041 296022256 /nfs/dbraw/zinc/02/22/56/296022256.db2.gz KRQAQNGKGHQQAQ-VXGBXAGGSA-N 2 0 270.421 1.143 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)CC2(OC)CCC2)CC1 ZINC000429522028 360847284 /nfs/dbraw/zinc/84/72/84/360847284.db2.gz ODYXGLVCVBPQNA-JKSUJKDBSA-N 2 0 297.487 1.950 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000349875938 360956920 /nfs/dbraw/zinc/95/69/20/360956920.db2.gz MDSIRMVXCXRXGD-HIFRSBDPSA-N 2 0 296.459 1.595 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000631645103 361070236 /nfs/dbraw/zinc/07/02/36/361070236.db2.gz WLYQTNRITIKVOH-AICCOOGYSA-N 2 0 264.413 1.874 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000338916556 361126587 /nfs/dbraw/zinc/12/65/87/361126587.db2.gz LYTAFRHRIJWXJU-CYBMUJFWSA-N 2 0 281.444 1.707 10 0 CDAERP O[C@@H](C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)CC1(O)CCC1 ZINC000528394320 361324164 /nfs/dbraw/zinc/32/41/64/361324164.db2.gz ZGGAHPOBHCHCFH-HZPDHXFCSA-N 2 0 296.455 1.460 10 0 CDAERP C[NH+]1CCC(CC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000336571603 363760645 /nfs/dbraw/zinc/76/06/45/363760645.db2.gz MIUVDDLXJIICOU-HUUCEWRRSA-N 2 0 279.428 1.461 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCC[NH+]2C2CC2)C1 ZINC000582250621 364882485 /nfs/dbraw/zinc/88/24/85/364882485.db2.gz XHNCHLMFFHVRFO-ZFWWWQNUSA-N 2 0 279.428 1.461 10 0 CDAERP CN(C(=O)N[C@@H]1CCC[NH2+]CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000641089435 365020548 /nfs/dbraw/zinc/02/05/48/365020548.db2.gz BFEORFDVTAIGJN-OCCSQVGLSA-N 2 0 280.416 1.007 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353502872 365262722 /nfs/dbraw/zinc/26/27/22/365262722.db2.gz MKUUKRRBEVUZOA-VQHPVUNQSA-N 3 0 294.487 1.085 10 0 CDAERP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)[C@H]1C[C@H]1C ZINC000414055675 241047719 /nfs/dbraw/zinc/04/77/19/241047719.db2.gz CVQWFCZMWYKKEU-FMKPAKJESA-N 2 0 288.439 1.968 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000414689903 241322516 /nfs/dbraw/zinc/32/25/16/241322516.db2.gz LZXGFGTZFRBQOL-LSDHHAIUSA-N 2 0 253.434 1.920 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCC[C@@H](Cn2ccnn2)C1 ZINC000414706191 241340838 /nfs/dbraw/zinc/34/08/38/241340838.db2.gz LBVRFIKOPXUMAF-KGLIPLIRSA-N 2 0 265.405 1.364 10 0 CDAERP CCN(CC[NH3+])C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000626979551 367124503 /nfs/dbraw/zinc/12/45/03/367124503.db2.gz CQOANSJLPAEEGT-UHFFFAOYSA-N 2 0 296.390 1.378 10 0 CDAERP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000566854600 370827887 /nfs/dbraw/zinc/82/78/87/370827887.db2.gz BEWLAPOUHSFIRM-MGPQQGTHSA-N 2 0 267.417 1.447 10 0 CDAERP C[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2CC[NH2+]C2)[C@@H]1c1ccccc1 ZINC000627006413 367229532 /nfs/dbraw/zinc/22/95/32/367229532.db2.gz VZOUWMOXBOBLDE-KFWWJZLASA-N 2 0 288.395 1.093 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000627019663 367243192 /nfs/dbraw/zinc/24/31/92/367243192.db2.gz KZDKPUXPKVGCPR-QWHCGFSZSA-N 2 0 282.432 1.158 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000627054868 367311571 /nfs/dbraw/zinc/31/15/71/367311571.db2.gz KJMXXSVLZQAXOW-SMDDNHRTSA-N 2 0 280.416 1.053 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)NCCCC[N@H+](C)C2CC2)C[NH2+]1 ZINC000627057869 367313092 /nfs/dbraw/zinc/31/30/92/367313092.db2.gz MINUMDDPBOKZEF-CHWSQXEVSA-N 2 0 282.432 1.301 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2CC[NH2+][C@H]2C)cc1 ZINC000627079457 367375511 /nfs/dbraw/zinc/37/55/11/367375511.db2.gz IKTUSTRLSRGROD-UHIISALHSA-N 2 0 276.384 1.256 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627112614 367463815 /nfs/dbraw/zinc/46/38/15/367463815.db2.gz ZFTQKTZNMKIJQD-DOMZBBRYSA-N 2 0 290.411 1.346 10 0 CDAERP CCNC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000358300409 367583778 /nfs/dbraw/zinc/58/37/78/367583778.db2.gz OYGHCOAHFQSROL-IHRRRGAJSA-N 2 0 280.416 1.007 10 0 CDAERP [NH3+]CCCNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000416903278 242219011 /nfs/dbraw/zinc/21/90/11/242219011.db2.gz MZLOVJHAZBXWRL-UHFFFAOYSA-N 2 0 290.411 1.430 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000416998724 242258836 /nfs/dbraw/zinc/25/88/36/242258836.db2.gz BJPZXZBAJMVIPM-CBBWQLFWSA-N 2 0 296.459 1.486 10 0 CDAERP CC1CC[NH+](CCNC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000417007166 242263844 /nfs/dbraw/zinc/26/38/44/242263844.db2.gz GTPFYURXMVNHML-UONOGXRCSA-N 2 0 282.432 1.016 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000417008287 242265400 /nfs/dbraw/zinc/26/54/00/242265400.db2.gz MBRFHDBUXDZNDP-HZSPNIEDSA-N 2 0 284.448 1.404 10 0 CDAERP C[C@H]1CC[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[NH2+]1 ZINC000627206443 367700836 /nfs/dbraw/zinc/70/08/36/367700836.db2.gz FWIYHULWYKPUHN-JZAZDWQXSA-N 2 0 294.443 1.394 10 0 CDAERP CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627202352 367696385 /nfs/dbraw/zinc/69/63/85/367696385.db2.gz IERFTSOQUAGVEF-UONOGXRCSA-N 2 0 284.448 1.500 10 0 CDAERP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000417554505 242529330 /nfs/dbraw/zinc/52/93/30/242529330.db2.gz JTEMJDWHJBMNRK-MGPQQGTHSA-N 2 0 284.448 1.676 10 0 CDAERP Cc1ccncc1C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000282417366 367875004 /nfs/dbraw/zinc/87/50/04/367875004.db2.gz QOFBSQOWNIQEPH-UHFFFAOYSA-N 2 0 276.428 1.506 10 0 CDAERP O[C@H](C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)CC1(O)CCC1 ZINC000528385857 367821124 /nfs/dbraw/zinc/82/11/24/367821124.db2.gz DSQRWQQBUJXRIL-HOTGVXAUSA-N 2 0 296.455 1.603 10 0 CDAERP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627243222 367832176 /nfs/dbraw/zinc/83/21/76/367832176.db2.gz DWBFYHNDHMVVMZ-IGQOVBAYSA-N 2 0 280.416 1.005 10 0 CDAERP [NH3+][C@H]1CC=C(C(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000638067084 367982089 /nfs/dbraw/zinc/98/20/89/367982089.db2.gz POUJBGOIHSLHCL-HNNXBMFYSA-N 2 0 277.412 1.368 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@@H](C)C[NH3+])cc1 ZINC000418471235 243118152 /nfs/dbraw/zinc/11/81/52/243118152.db2.gz VNUXAKLDTVPLEB-WDEREUQCSA-N 2 0 264.373 1.100 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000418597415 243258237 /nfs/dbraw/zinc/25/82/37/243258237.db2.gz PMTALNVMADTPCU-UONOGXRCSA-N 2 0 284.448 1.214 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000418579177 243234167 /nfs/dbraw/zinc/23/41/67/243234167.db2.gz JRNXFGBRRWQJGI-XJFOESAGSA-N 2 0 282.432 1.380 10 0 CDAERP CC[C@H](C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)[NH+](C)C ZINC000360857229 368522037 /nfs/dbraw/zinc/52/20/37/368522037.db2.gz QEQRQBWSICNVII-FRRDWIJNSA-N 2 0 255.406 1.268 10 0 CDAERP CCCN(CCC[NH+](C)C)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000418689227 243342670 /nfs/dbraw/zinc/34/26/70/243342670.db2.gz BWDQXLXLOHBVOP-NWDGAFQWSA-N 2 0 258.410 1.095 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](CCCC(=O)OC)CC1 ZINC000361021938 368602737 /nfs/dbraw/zinc/60/27/37/368602737.db2.gz ZMCVJDIMDAFMFP-UHFFFAOYSA-N 2 0 270.417 1.993 10 0 CDAERP CN1CCN(C(=O)Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000630388504 368856257 /nfs/dbraw/zinc/85/62/57/368856257.db2.gz IFVCYTKMMSFGNH-UHFFFAOYSA-N 2 0 284.363 1.189 10 0 CDAERP NC(=O)N[C@@H]1CC[N@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000543395628 368910755 /nfs/dbraw/zinc/91/07/55/368910755.db2.gz MXBJLYHGTVBHTB-SNVBAGLBSA-N 2 0 291.380 1.176 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCN2CC=CCC2)[C@@H]2CCC[C@@H]21 ZINC000367639145 369204496 /nfs/dbraw/zinc/20/44/96/369204496.db2.gz SZLHOVZEVWGRIC-JYJNAYRXSA-N 2 0 263.429 1.711 10 0 CDAERP CC[NH+](CC)CC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000367987728 369311389 /nfs/dbraw/zinc/31/13/89/369311389.db2.gz PJSSINRPSFMPHC-CQSZACIVSA-N 2 0 267.417 1.176 10 0 CDAERP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H]2CCCC(C)(C)C2)CC1 ZINC000567345760 370959232 /nfs/dbraw/zinc/95/92/32/370959232.db2.gz SIXYJTZTDZAABR-HZPDHXFCSA-N 2 0 297.487 1.401 10 0 CDAERP Cn1cncc1CC[N@@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000290014700 369754263 /nfs/dbraw/zinc/75/42/63/369754263.db2.gz MGLSBDYPPRVXQA-MRXNPFEDSA-N 2 0 298.390 1.526 10 0 CDAERP COC[C@@H](C)C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000249946899 370189342 /nfs/dbraw/zinc/18/93/42/370189342.db2.gz UOXAGZZLNLGLPK-UONOGXRCSA-N 2 0 272.433 1.294 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000418248189 370317423 /nfs/dbraw/zinc/31/74/23/370317423.db2.gz VBVWBMVIEVIBAU-UTUOFQBUSA-N 2 0 258.410 1.142 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000418205740 370290455 /nfs/dbraw/zinc/29/04/55/370290455.db2.gz ZSRRFWCICDVROR-SDDRHHMPSA-N 2 0 258.410 1.142 10 0 CDAERP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc(-n3cncn3)cc2)C1 ZINC000414932991 370529338 /nfs/dbraw/zinc/52/93/38/370529338.db2.gz WHWSKHNEWIPYRD-KBPBESRZSA-N 2 0 271.368 1.627 10 0 CDAERP C[C@H](C[C@H]1COCC[NH2+]1)NCC1([NH3+])CCCCCC1 ZINC000566088324 370603906 /nfs/dbraw/zinc/60/39/06/370603906.db2.gz RIWAUNXEPICFIE-KGLIPLIRSA-N 2 0 269.433 1.395 10 0 CDAERP COc1ccc(F)c(C[NH2+]CCCN2CC[NH+](C)CC2)c1 ZINC000294315501 371046417 /nfs/dbraw/zinc/04/64/17/371046417.db2.gz XPUSRGKWOSYVKN-UHFFFAOYSA-N 2 0 295.402 1.561 10 0 CDAERP CC[C@@H](Cn1cncn1)[NH2+]CCC[NH+]1CCCCC1 ZINC000340464715 371065134 /nfs/dbraw/zinc/06/51/34/371065134.db2.gz SPFMZLFVLPMVFS-AWEZNQCLSA-N 2 0 265.405 1.522 10 0 CDAERP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CCCN(c2cnn(C)c2)C1 ZINC000422785332 245253629 /nfs/dbraw/zinc/25/36/29/245253629.db2.gz QVVAWKASOPJZDG-YCPHGPKFSA-N 2 0 291.443 1.367 10 0 CDAERP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000414969642 371121739 /nfs/dbraw/zinc/12/17/39/371121739.db2.gz ZNEGBAAHZIPASZ-XJKSGUPXSA-N 2 0 270.380 1.960 10 0 CDAERP FC(F)n1ccnc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000335449324 371808191 /nfs/dbraw/zinc/80/81/91/371808191.db2.gz ZEEZKZFLPGKLII-PHIMTYICSA-N 2 0 270.327 1.710 10 0 CDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCc2ccncc2)CC1 ZINC000069702776 296181576 /nfs/dbraw/zinc/18/15/76/296181576.db2.gz WYXCTYJXFGKXJT-OAHLLOKOSA-N 2 0 291.439 1.649 10 0 CDAERP C[NH+](C)Cc1ccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000171279147 372155250 /nfs/dbraw/zinc/15/52/50/372155250.db2.gz JHBYAPRBSCDVCU-INIZCTEOSA-N 2 0 287.407 1.668 10 0 CDAERP CC(C)n1nccc1C[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000578054160 372243366 /nfs/dbraw/zinc/24/33/66/372243366.db2.gz LJHOPFPTAGFKIO-NSHDSACASA-N 2 0 259.357 1.834 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCC[C@@H]1CCCCO1 ZINC000423032986 245512538 /nfs/dbraw/zinc/51/25/38/245512538.db2.gz FXFKRRKWTSPVIK-KBPBESRZSA-N 2 0 258.406 1.679 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415033382 372787430 /nfs/dbraw/zinc/78/74/30/372787430.db2.gz BQONZFICUMWKRW-QLFBSQMISA-N 2 0 253.434 1.824 10 0 CDAERP [NH3+]CC(=O)N1CCC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC000415099233 372837645 /nfs/dbraw/zinc/83/76/45/372837645.db2.gz GLYDTNPYTQPDLW-CQSZACIVSA-N 2 0 267.417 1.354 10 0 CDAERP CC[NH2+]CCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000581537913 373072677 /nfs/dbraw/zinc/07/26/77/373072677.db2.gz DARJZJIYMCNLEF-AVGNSLFASA-N 2 0 253.390 1.023 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000234723070 373587932 /nfs/dbraw/zinc/58/79/32/373587932.db2.gz ZYPOBAQYCUABPC-ZIAGYGMSSA-N 3 0 257.422 1.062 10 0 CDAERP C[C@@H](C(=O)N1CCCCCC1)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631841514 373832168 /nfs/dbraw/zinc/83/21/68/373832168.db2.gz LLBPPLOPFLAUAU-RDBSUJKOSA-N 2 0 267.417 1.304 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+]3CCC2CC3)C[N@@H+]1C1CC1 ZINC000334318089 374888544 /nfs/dbraw/zinc/88/85/44/374888544.db2.gz RNCNLCNISCYNFO-CHWSQXEVSA-N 2 0 292.427 1.101 10 0 CDAERP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)C(C)(C)C(F)F ZINC000657824683 542007543 /nfs/dbraw/zinc/00/75/43/542007543.db2.gz SUBIOHOJNDSNFK-GFCCVEGCSA-N 2 0 277.403 1.893 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(CC(F)F)C2)[C@H]2CCC[C@H]21 ZINC000417389677 376315606 /nfs/dbraw/zinc/31/56/06/376315606.db2.gz PWQMMDZWXOVWLV-YIYPIFLZSA-N 2 0 287.398 1.788 10 0 CDAERP C(C[N@@H+]1CCC[C@@H]2COCC[C@H]21)[C@@H]1CCC[NH2+]C1 ZINC000420303817 376324800 /nfs/dbraw/zinc/32/48/00/376324800.db2.gz NPBMSIGAFYJQCQ-RRFJBIMHSA-N 2 0 252.402 1.877 10 0 CDAERP CO[C@@H]1CC[C@@H]2OCC[N@H+](CC[C@@H]3CCC[NH2+]C3)[C@@H]2C1 ZINC000420377569 376341056 /nfs/dbraw/zinc/34/10/56/376341056.db2.gz SNSGVUJGQFVFOC-JJXSEGSLSA-N 2 0 282.428 1.644 10 0 CDAERP CC[C@@H](C)[N@H+](C)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000246202077 376558959 /nfs/dbraw/zinc/55/89/59/376558959.db2.gz MALSHGRLVUVCJP-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)Cc2cc(C)n[nH]2)[C@@H](C)C1 ZINC000246308057 376622047 /nfs/dbraw/zinc/62/20/47/376622047.db2.gz DNIQLQNKGIBCDC-ZOWXZIJZSA-N 2 0 264.417 1.969 10 0 CDAERP CCN(CCC[NH+](CC)CC)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000418585945 284587149 /nfs/dbraw/zinc/58/71/49/284587149.db2.gz DVMDCEKNZDVTFZ-CABCVRRESA-N 2 0 298.475 1.748 10 0 CDAERP CC[NH+](CC)CCCNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000246951027 377020100 /nfs/dbraw/zinc/02/01/00/377020100.db2.gz DCIIYVDJLCFIAY-CABCVRRESA-N 2 0 296.459 1.596 10 0 CDAERP CC(C)(C)OC[C@@H](O)CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246952422 377021357 /nfs/dbraw/zinc/02/13/57/377021357.db2.gz PALBBRGGJUDQJU-GJZGRUSLSA-N 2 0 284.444 1.580 10 0 CDAERP CC[NH+](CC)CCC[C@@H](C)NC(=O)CC[C@@H](C)[NH3+] ZINC000070314768 377033770 /nfs/dbraw/zinc/03/37/70/377033770.db2.gz SYPBQYGXKJKQKB-CHWSQXEVSA-N 2 0 257.422 1.741 10 0 CDAERP CC[C@@H]1CN(CCC[NH+]2CCCCC2)CC[N@@H+]1C[C@H](C)O ZINC000249429425 377435644 /nfs/dbraw/zinc/43/56/44/377435644.db2.gz JKPFHZXQOSNHIA-DLBZAZTESA-N 2 0 297.487 1.639 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001662220317 1172510686 /nfs/dbraw/zinc/51/06/86/1172510686.db2.gz WMPVZYOJMXXTLV-GJZGRUSLSA-N 2 0 281.444 1.920 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001662220318 1172510733 /nfs/dbraw/zinc/51/07/33/1172510733.db2.gz WMPVZYOJMXXTLV-HUUCEWRRSA-N 2 0 281.444 1.920 10 0 CDAERP CC[N@H+](CCNC(=O)c1ccccc1CC[NH3+])C(C)C ZINC000571815076 377544626 /nfs/dbraw/zinc/54/46/26/377544626.db2.gz UDIKSZWSOKERIV-UHFFFAOYSA-N 2 0 277.412 1.648 10 0 CDAERP CN(CC[NH+](C)C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000668156734 483094742 /nfs/dbraw/zinc/09/47/42/483094742.db2.gz ZUDHTYUNUKXMTF-UHFFFAOYSA-N 2 0 259.357 1.261 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@H](C)[NH2+]C(C)C ZINC001662233595 1172513500 /nfs/dbraw/zinc/51/35/00/1172513500.db2.gz BBAKPNCXZVUXRS-NWDGAFQWSA-N 2 0 261.385 1.169 10 0 CDAERP CC1(C)NC(=O)CC[C@@H]1[NH2+]CC1([NH3+])CCCCC1 ZINC000335011511 377759769 /nfs/dbraw/zinc/75/97/69/377759769.db2.gz UBBMXCVCSHIZHP-NSHDSACASA-N 2 0 253.390 1.295 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NC1CC[NH2+]CC1 ZINC000417538930 377913619 /nfs/dbraw/zinc/91/36/19/377913619.db2.gz URNKXMNOOLCLGK-BETUJISGSA-N 2 0 282.432 1.301 10 0 CDAERP CCN(CC)[C@H](CNC1=[NH+]CCN1)c1ccco1 ZINC000069350424 378023200 /nfs/dbraw/zinc/02/32/00/378023200.db2.gz RFNBMZAEYRCRCF-LLVKDONJSA-N 2 0 250.346 1.211 10 0 CDAERP C[C@@H](O)C[NH+]1CCC(C[NH2+][C@@H](C)c2cccnc2)CC1 ZINC000069511728 378193658 /nfs/dbraw/zinc/19/36/58/378193658.db2.gz SGBKQWPGCPVJOH-KGLIPLIRSA-N 2 0 277.412 1.825 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@H]1CC ZINC000633148985 378156989 /nfs/dbraw/zinc/15/69/89/378156989.db2.gz BHIOLASEQAUOHS-KFWWJZLASA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC[N@@H+]1C ZINC000417755746 378590777 /nfs/dbraw/zinc/59/07/77/378590777.db2.gz RGODBTCJCXTOEA-SYQHCUMBSA-N 2 0 280.416 1.005 10 0 CDAERP CC(C)OC1CC([N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000662325265 412897039 /nfs/dbraw/zinc/89/70/39/412897039.db2.gz DMOBKZCKVCILMT-HWOWSKLDSA-N 2 0 284.444 1.985 10 0 CDAERP C[C@@H]1CN(C(=O)NCC2([NH3+])CCCCCC2)CC[NH2+]1 ZINC000634047401 378987048 /nfs/dbraw/zinc/98/70/48/378987048.db2.gz BDSLOYROGXXJHT-GFCCVEGCSA-N 2 0 268.405 1.041 10 0 CDAERP CN(CCC[NH+]1CCCCC1)[C@H](C[NH3+])C(F)(F)F ZINC000662330977 412901089 /nfs/dbraw/zinc/90/10/89/412901089.db2.gz DLNZTYWLFUOKEU-LLVKDONJSA-N 2 0 267.339 1.684 10 0 CDAERP Cc1ccc(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)o1 ZINC000657573393 412904246 /nfs/dbraw/zinc/90/42/46/412904246.db2.gz LHZRZBVBPXNCEE-ZDUSSCGKSA-N 2 0 267.417 1.950 10 0 CDAERP Cc1nc(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)cs1 ZINC000657574291 412906274 /nfs/dbraw/zinc/90/62/74/412906274.db2.gz VNHAOXNDRUYMAG-LBPRGKRZSA-N 2 0 284.473 1.813 10 0 CDAERP COc1cccc(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)n1 ZINC000657573745 412908096 /nfs/dbraw/zinc/90/80/96/412908096.db2.gz SDQMOULEHRPLQA-AWEZNQCLSA-N 2 0 294.443 1.452 10 0 CDAERP CC(C)[C@@H](C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1)[C@H](C)[NH3+] ZINC000634300998 379353875 /nfs/dbraw/zinc/35/38/75/379353875.db2.gz TWEKKWTZZOSRQN-BFHYXJOUSA-N 2 0 269.433 1.404 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000662347471 412913627 /nfs/dbraw/zinc/91/36/27/412913627.db2.gz GBBALAHNGUQTBS-NWDGAFQWSA-N 2 0 299.440 1.219 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000416998728 284802097 /nfs/dbraw/zinc/80/20/97/284802097.db2.gz BJPZXZBAJMVIPM-QPSCCSFWSA-N 2 0 296.459 1.486 10 0 CDAERP CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001662630586 1172571273 /nfs/dbraw/zinc/57/12/73/1172571273.db2.gz KJCQNBGTWFFUJM-HUUCEWRRSA-N 2 0 281.444 1.707 10 0 CDAERP CCO[C@H]1C[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657610772 412935925 /nfs/dbraw/zinc/93/59/25/412935925.db2.gz DSXRHVSWGVVWHA-NNUKFRKNSA-N 2 0 272.352 1.924 10 0 CDAERP [NH3+]CC1(CCNC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000655968670 412969397 /nfs/dbraw/zinc/96/93/97/412969397.db2.gz DINHUHWURUFZIX-KBPBESRZSA-N 2 0 294.443 1.432 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000655967574 412969515 /nfs/dbraw/zinc/96/95/15/412969515.db2.gz XVUCVEKKEMHEQI-YUTCNCBUSA-N 2 0 282.432 1.143 10 0 CDAERP COCCN1CC[C@@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000459778623 285056394 /nfs/dbraw/zinc/05/63/94/285056394.db2.gz LDRFIDOQEPEKPL-LSDHHAIUSA-N 2 0 269.433 1.029 10 0 CDAERP O[C@H]1C[C@@H]([NH2+]Cc2cccc3nccn32)C12CCC2 ZINC000657708175 412991700 /nfs/dbraw/zinc/99/17/00/412991700.db2.gz XVVHOGJJBPPIRO-OLZOCXBDSA-N 2 0 257.337 1.727 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)CN1CCC[C@@H](OC(F)F)C1 ZINC000660233599 413002625 /nfs/dbraw/zinc/00/26/25/413002625.db2.gz CHBFJAXINRPVCC-NWDGAFQWSA-N 2 0 280.359 1.391 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000417527617 296427939 /nfs/dbraw/zinc/42/79/39/296427939.db2.gz DONGZRBQDQRPKT-YRGRVCCFSA-N 2 0 282.432 1.286 10 0 CDAERP C[NH+]1CCN(CC[NH2+][C@H]2CCC[C@@H](C3CC3)C2)CC1 ZINC000081635674 177834095 /nfs/dbraw/zinc/83/40/95/177834095.db2.gz RWIRULKXOFACDF-CVEARBPZSA-N 2 0 265.445 1.792 10 0 CDAERP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000646944069 390304827 /nfs/dbraw/zinc/30/48/27/390304827.db2.gz ZNTYSASKAZUPCV-AGIUHOORSA-N 2 0 267.417 1.316 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[C@@H]2C[NH+](C)C[C@@H]21 ZINC000646934542 390309653 /nfs/dbraw/zinc/30/96/53/390309653.db2.gz VACIDMNJTPBBOL-RQJABVFESA-N 2 0 265.401 1.022 10 0 CDAERP [NH3+][C@@H](CC(=O)N[C@H]1CC[NH2+]C12CCCC2)c1ccccc1 ZINC000648210310 390952907 /nfs/dbraw/zinc/95/29/07/390952907.db2.gz PFPVELCFGCINOU-GJZGRUSLSA-N 2 0 287.407 1.867 10 0 CDAERP O=C(CC[C@@H]1CC[NH2+]C1)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648210416 390953093 /nfs/dbraw/zinc/95/30/93/390953093.db2.gz RGYWPJHTURXBAJ-OLZOCXBDSA-N 2 0 265.401 1.167 10 0 CDAERP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCCc3n[nH]cc32)CC1 ZINC000367620500 391249026 /nfs/dbraw/zinc/24/90/26/391249026.db2.gz YBGKWVATUDHAAP-OAHLLOKOSA-N 2 0 291.443 1.403 10 0 CDAERP Cn1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1=O ZINC000647900937 391192905 /nfs/dbraw/zinc/19/29/05/391192905.db2.gz HVDFQNOUYRWZCX-LSDHHAIUSA-N 2 0 275.396 1.349 10 0 CDAERP C[C@@H](NC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H](C)[NH3+] ZINC000417025681 391340709 /nfs/dbraw/zinc/34/07/09/391340709.db2.gz NECGYQZRLCAMEV-RFQIPJPRSA-N 2 0 284.448 1.389 10 0 CDAERP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000417253696 391347086 /nfs/dbraw/zinc/34/70/86/391347086.db2.gz LVJLTQHBYXCKGV-MRLBHPIUSA-N 2 0 296.459 1.484 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC[NH2+]1 ZINC000414706533 391349190 /nfs/dbraw/zinc/34/91/90/391349190.db2.gz YCVJLRIYDDXOGK-OAGGEKHMSA-N 2 0 293.455 1.709 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000418362262 391411052 /nfs/dbraw/zinc/41/10/52/391411052.db2.gz HOBKMUQJXQDXJY-IHRRRGAJSA-N 2 0 282.432 1.110 10 0 CDAERP CS[C@@H]1CC[C@@H]1[NH2+]C1CCN(CCC(=O)N(C)C)CC1 ZINC000425342369 391467124 /nfs/dbraw/zinc/46/71/24/391467124.db2.gz HCEKWLKUSJQUFP-UONOGXRCSA-N 2 0 299.484 1.413 10 0 CDAERP C[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1)[C@H]([NH3+])c1ccccc1 ZINC000417839360 391503747 /nfs/dbraw/zinc/50/37/47/391503747.db2.gz NRVYAWUJINIILK-RPCCPQHDSA-N 2 0 289.423 1.766 10 0 CDAERP C[C@@H](NC(=O)NCC[N@H+](C)Cc1ccc(F)cc1)[C@H](C)[NH3+] ZINC000417830793 391499575 /nfs/dbraw/zinc/49/95/75/391499575.db2.gz RSVLHRZTJCXZHQ-NWDGAFQWSA-N 2 0 296.390 1.292 10 0 CDAERP CC[NH+](CC)CCNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000162237497 391624338 /nfs/dbraw/zinc/62/43/38/391624338.db2.gz URNXHEMZNCMAHD-UONOGXRCSA-N 2 0 284.448 1.356 10 0 CDAERP CC(C)(C)[C@H](O)C[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647797126 391649487 /nfs/dbraw/zinc/64/94/87/391649487.db2.gz ZPLFADIUYSQRBZ-KJWHEZOQSA-N 2 0 284.444 1.122 10 0 CDAERP CC[C@@H]1[C@H](C)CC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000360451575 391660997 /nfs/dbraw/zinc/66/09/97/391660997.db2.gz HJMANICTMRCWKZ-CZUORRHYSA-N 2 0 293.455 1.850 10 0 CDAERP CC1CCC(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000058864480 391671296 /nfs/dbraw/zinc/67/12/96/391671296.db2.gz VKKQGNYIANNCIF-YMAMQOFZSA-N 2 0 254.418 1.859 10 0 CDAERP C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000647990812 391671802 /nfs/dbraw/zinc/67/18/02/391671802.db2.gz JTEIKOHAWCRVIQ-IOASZLSFSA-N 2 0 260.381 1.920 10 0 CDAERP C[N@@H+]1CC[C@H](NC(=O)NCC(C)(C)[NH3+])[C@@H]1c1ccccc1 ZINC000417931733 391693794 /nfs/dbraw/zinc/69/37/94/391693794.db2.gz CGOIKEXXJBVKNU-KBPBESRZSA-N 2 0 290.411 1.468 10 0 CDAERP C[C@@H]1C[N@H+](Cc2ccc3c(c2)nnn3C)C[C@@]1(C)C[NH3+] ZINC000415057370 391739505 /nfs/dbraw/zinc/73/95/05/391739505.db2.gz SFZSNVUIJWDLLG-IAQYHMDHSA-N 2 0 273.384 1.385 10 0 CDAERP Cc1csc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)n1 ZINC000415052418 391729245 /nfs/dbraw/zinc/72/92/45/391729245.db2.gz LEEWRASDBMBKFW-UHFFFAOYSA-N 2 0 294.468 1.758 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000418196648 391803782 /nfs/dbraw/zinc/80/37/82/391803782.db2.gz DNNKWTINNOTIMD-MJBXVCDLSA-N 2 0 284.448 1.404 10 0 CDAERP C[C@@H]1[C@H](NC(=O)NCCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000418191962 391794723 /nfs/dbraw/zinc/79/47/23/391794723.db2.gz LTNTZTDOGBXQEU-UKRRQHHQSA-N 2 0 290.411 1.297 10 0 CDAERP C[C@@H](CNC(=O)[C@H](C[NH3+])c1ccc(F)cc1)[NH+]1CCCC1 ZINC000515840636 391796811 /nfs/dbraw/zinc/79/68/11/391796811.db2.gz UZVOUSXAONORHX-SWLSCSKDSA-N 2 0 293.386 1.469 10 0 CDAERP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000418231629 391826383 /nfs/dbraw/zinc/82/63/83/391826383.db2.gz CEMXQZKYJILTCN-MJBXVCDLSA-N 2 0 284.448 1.532 10 0 CDAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](N[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000246282953 391845559 /nfs/dbraw/zinc/84/55/59/391845559.db2.gz TWYFHEJZMSZCBQ-TUVASFSCSA-N 2 0 253.434 1.787 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CCC[NH+](C)CC1 ZINC000336167054 391872258 /nfs/dbraw/zinc/87/22/58/391872258.db2.gz AIUNKLVAJWTBKE-GASCZTMLSA-N 2 0 296.459 1.596 10 0 CDAERP Cn1nccc1-c1ccccc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000646104917 392015083 /nfs/dbraw/zinc/01/50/83/392015083.db2.gz AFQXAMOZSHIYKF-GJZGRUSLSA-N 2 0 282.391 1.738 10 0 CDAERP C[C@@H](CNC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C)[NH+](C)C ZINC000454473944 391948675 /nfs/dbraw/zinc/94/86/75/391948675.db2.gz CWWBGWHDGITDOF-MCIONIFRSA-N 2 0 284.448 1.499 10 0 CDAERP C[NH+]1CCC2(CC1)C[N@H+](CCCc1ccncc1)CCO2 ZINC000646106316 392014891 /nfs/dbraw/zinc/01/48/91/392014891.db2.gz UHNVUPDBWQYCIT-UHFFFAOYSA-N 2 0 289.423 1.811 10 0 CDAERP CC[NH+](CC)CC(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000646250139 392206151 /nfs/dbraw/zinc/20/61/51/392206151.db2.gz FPPJNANYWNOMBR-UHFFFAOYSA-N 2 0 267.417 1.273 10 0 CDAERP CC[C@H](C)[C@@H](C[NH2+]C[C@H](O)CN1CCCCC1)OC ZINC000381149797 392211654 /nfs/dbraw/zinc/21/16/54/392211654.db2.gz LHCWJMWSVKVYKR-SOUVJXGZSA-N 2 0 272.433 1.484 10 0 CDAERP CC[C@@H]([NH3+])C(=O)N1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000567910166 392290282 /nfs/dbraw/zinc/29/02/82/392290282.db2.gz BDSIIOGSLAVXII-IUODEOHRSA-N 2 0 293.386 1.768 10 0 CDAERP C[C@H]([NH2+]CCN1CCc2c(Cl)cccc2C1)C1C[NH2+]C1 ZINC000423059887 392307027 /nfs/dbraw/zinc/30/70/27/392307027.db2.gz NBQPJUZEUNLFET-LBPRGKRZSA-N 2 0 293.842 1.896 10 0 CDAERP C[C@H](C[C@H]1COCC[NH2+]1)NC1CC([NH+]2CCCCC2)C1 ZINC000423094121 392339316 /nfs/dbraw/zinc/33/93/16/392339316.db2.gz JLTFOUXECDXDJW-CIDNJEQPSA-N 2 0 281.444 1.360 10 0 CDAERP CCO[C@@H](C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)C1CC1 ZINC000629532796 392391488 /nfs/dbraw/zinc/39/14/88/392391488.db2.gz TVOFPDZBZHFRAZ-PMPSAXMXSA-N 2 0 282.428 1.630 10 0 CDAERP C[C@H]1C[C@@H](NCCC[NH2+]Cc2cccnc2)CC[N@@H+]1C ZINC000423189956 392429846 /nfs/dbraw/zinc/42/98/46/392429846.db2.gz QJJYJJQEVNTXDV-HOCLYGCPSA-N 3 0 276.428 1.634 10 0 CDAERP [NH3+][C@H]1CCC[C@@H](NCCC[NH2+]Cc2cccnc2)C1 ZINC000573862554 392453288 /nfs/dbraw/zinc/45/32/88/392453288.db2.gz OWPHUHNFKONRQT-LSDHHAIUSA-N 2 0 262.401 1.421 10 0 CDAERP C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000574049978 392502045 /nfs/dbraw/zinc/50/20/45/392502045.db2.gz UOXKIBZSOCQOGM-AYDDYBHNSA-N 2 0 279.428 1.624 10 0 CDAERP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NCC[N@H+]1CC=CCC1 ZINC000646557813 392559977 /nfs/dbraw/zinc/55/99/77/392559977.db2.gz XBUVOCLIOGURQJ-HUUCEWRRSA-N 2 0 279.428 1.662 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)Cc2ccoc2)CC1 ZINC000449079795 392630639 /nfs/dbraw/zinc/63/06/39/392630639.db2.gz QAJKWSOWPBTENE-LSDHHAIUSA-N 2 0 279.428 1.826 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)CC[C@H]2CC[NH2+]C2)cc1 ZINC000646806062 392838979 /nfs/dbraw/zinc/83/89/79/392838979.db2.gz YQQFUNRCFDOIIC-JSGCOSHPSA-N 2 0 275.396 1.712 10 0 CDAERP C[C@@H]1C[N@H+](CCO)CCN1c1cc[nH+]c2ccccc21 ZINC000450952542 393026665 /nfs/dbraw/zinc/02/66/65/393026665.db2.gz IHRQYYXJZPYTNH-CYBMUJFWSA-N 2 0 271.364 1.738 10 0 CDAERP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CCOC[C@@H](O)C1 ZINC000451233150 393165421 /nfs/dbraw/zinc/16/54/21/393165421.db2.gz HRQZOFARIWBDPF-INIZCTEOSA-N 2 0 287.363 1.374 10 0 CDAERP C[C@@H](C[NH2+][C@H]1CCC(=O)NC1(C)C)N1CCC[C@@H](C)C1 ZINC000494889509 393122393 /nfs/dbraw/zinc/12/23/93/393122393.db2.gz LAQWOXANBQAEGC-RDBSUJKOSA-N 2 0 281.444 1.754 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000645951183 393426927 /nfs/dbraw/zinc/42/69/27/393426927.db2.gz HNSHQPXEOGCCAZ-UPJWGTAASA-N 2 0 267.417 1.364 10 0 CDAERP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657878657 413067691 /nfs/dbraw/zinc/06/76/91/413067691.db2.gz HNJBUVNHYVJBJE-GJZGRUSLSA-N 2 0 282.428 1.525 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000186517703 140062840 /nfs/dbraw/zinc/06/28/40/140062840.db2.gz WCSKBXYIGYQHCD-AWEZNQCLSA-N 2 0 273.380 1.502 10 0 CDAERP O=C(c1ccnc(-n2ccnc2)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195335516 140154569 /nfs/dbraw/zinc/15/45/69/140154569.db2.gz KJPLTNZGGSWSMM-AWEZNQCLSA-N 2 0 297.362 1.188 10 0 CDAERP CCCNC(=O)C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516121 140158414 /nfs/dbraw/zinc/15/84/14/140158414.db2.gz RFOOMFIKLSZPRP-CQSZACIVSA-N 2 0 290.411 1.650 10 0 CDAERP C[C@H](CC(=O)N1CC[C@H]([NH+](C)C)C1)[C@@H]1CCC[NH2+]C1 ZINC000211105240 140159274 /nfs/dbraw/zinc/15/92/74/140159274.db2.gz CSBCKMHDIDQFLG-MCIONIFRSA-N 2 0 267.417 1.175 10 0 CDAERP O=C(NCC[NH+]1CCCC1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000222972695 140172743 /nfs/dbraw/zinc/17/27/43/140172743.db2.gz GIMUZAGLKMWKML-RDBSUJKOSA-N 2 0 265.401 1.119 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)C2(C[NH3+])CCCC2)CC[N@@H+]1C ZINC000237584689 140256431 /nfs/dbraw/zinc/25/64/31/140256431.db2.gz SYTOUDBNOZMYMJ-CHWSQXEVSA-N 2 0 267.417 1.447 10 0 CDAERP [NH3+]C1(CNC(=O)C2CC[NH2+]CC2)CCCCCC1 ZINC000237817339 140259399 /nfs/dbraw/zinc/25/93/99/140259399.db2.gz GIVBTQWJPGDQJH-UHFFFAOYSA-N 2 0 253.390 1.154 10 0 CDAERP COC(=O)[C@@H]1CCC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000250553520 140304122 /nfs/dbraw/zinc/30/41/22/140304122.db2.gz APZHJEHBZAQOSQ-ZIAGYGMSSA-N 2 0 268.401 1.746 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000253191315 140330938 /nfs/dbraw/zinc/33/09/38/140330938.db2.gz XLBWWHPAFVREKO-UONOGXRCSA-N 2 0 282.432 1.064 10 0 CDAERP Cc1noc([C@@H]2CCCN(C[C@]3(C)CC[NH2+]C3)C2)n1 ZINC000261689494 140375406 /nfs/dbraw/zinc/37/54/06/140375406.db2.gz AZWYRRUFGBSBFQ-TZMCWYRMSA-N 2 0 264.373 1.557 10 0 CDAERP CN(Cc1cn(C)nc1C(F)(F)F)C[C@@]1(C)CC[NH2+]C1 ZINC000261689474 140375784 /nfs/dbraw/zinc/37/57/84/140375784.db2.gz AXRVDHRZBMFYJP-LBPRGKRZSA-N 2 0 290.333 1.870 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000261811730 140392726 /nfs/dbraw/zinc/39/27/26/140392726.db2.gz SKVAGPXAQYJQTL-ILXRZTDVSA-N 2 0 279.428 1.604 10 0 CDAERP COCC1(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000656199889 413097338 /nfs/dbraw/zinc/09/73/38/413097338.db2.gz GDWVGUNWHIBZQX-MELADBBJSA-N 2 0 268.401 1.160 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000656200466 413097777 /nfs/dbraw/zinc/09/77/77/413097777.db2.gz NAQQUWHLAOQGCR-YIDVYQOGSA-N 3 0 265.445 1.837 10 0 CDAERP C[C@@H](NC(=O)NCC[N@@H+]1CCC[C@H](C)C1)c1nccn1C ZINC000660395083 413098688 /nfs/dbraw/zinc/09/86/88/413098688.db2.gz GRUHBIQNAZKQQA-QWHCGFSZSA-N 2 0 293.415 1.512 10 0 CDAERP CO[C@H](C[N@H+](C)CCC[NH+]1CCCC1)[C@@H]1CCOC1 ZINC000660463997 413142510 /nfs/dbraw/zinc/14/25/10/413142510.db2.gz KQERMDTWLMNJKD-HUUCEWRRSA-N 2 0 270.417 1.456 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCCCC[C@@H]1CCO ZINC000660495422 413172682 /nfs/dbraw/zinc/17/26/82/413172682.db2.gz JQHKSUVHVZPNDO-CABCVRRESA-N 2 0 272.433 1.315 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000417678755 397634364 /nfs/dbraw/zinc/63/43/64/397634364.db2.gz JXCLLQAODZFTLN-MCIONIFRSA-N 2 0 298.475 1.650 10 0 CDAERP CC(C)C[C@@H]([NH3+])c1noc([C@H]2CCC[NH2+]CC2)n1 ZINC000650226103 397795442 /nfs/dbraw/zinc/79/54/42/397795442.db2.gz AQSUCPCSZWSRFK-WDEREUQCSA-N 2 0 252.362 1.973 10 0 CDAERP CC[NH+]1CCC([NH2+]C[C@@H](OC)[C@H]2CCOC2)CC1 ZINC000658075532 413175822 /nfs/dbraw/zinc/17/58/22/413175822.db2.gz ZEXFTDLNUAXYMR-GXTWGEPZSA-N 2 0 256.390 1.112 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000386732997 398079032 /nfs/dbraw/zinc/07/90/32/398079032.db2.gz BOBSJRUTPCULQP-HNNXBMFYSA-N 2 0 277.412 1.608 10 0 CDAERP CC(C)C[C@@H]([NH3+])C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000037812740 398111358 /nfs/dbraw/zinc/11/13/58/398111358.db2.gz GPWPOBROZYWYGM-CHWSQXEVSA-N 2 0 253.390 1.057 10 0 CDAERP CC(C)[NH+](CCNC(=O)[C@H]1CCC[C@H]([NH3+])C1)C(C)C ZINC000055086557 146873613 /nfs/dbraw/zinc/87/36/13/146873613.db2.gz UETSFAKXKDABQG-KBPBESRZSA-N 2 0 269.433 1.739 10 0 CDAERP CC(=O)c1ccnc(NCCN(C)CCC[NH+](C)C)c1 ZINC000664244463 413180229 /nfs/dbraw/zinc/18/02/29/413180229.db2.gz JGVGNCMBSNEDQI-UHFFFAOYSA-N 2 0 278.400 1.580 10 0 CDAERP CCC[NH+]1CCC([NH2+][C@H]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000094370357 147087348 /nfs/dbraw/zinc/08/73/48/147087348.db2.gz PYJQVZILSJFERO-HOTGVXAUSA-N 2 0 282.428 1.789 10 0 CDAERP COC(=O)c1ccc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)nc1 ZINC000094763033 147094843 /nfs/dbraw/zinc/09/48/43/147094843.db2.gz ULIGDVOWSJIZNU-LLVKDONJSA-N 2 0 277.368 1.427 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000097093127 147120559 /nfs/dbraw/zinc/12/05/59/147120559.db2.gz PKBKVXOCLSVGSJ-VXGBXAGGSA-N 2 0 253.390 1.057 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](C)[NH+](CC)CC)C1 ZINC000097174562 147120976 /nfs/dbraw/zinc/12/09/76/147120976.db2.gz JMGBSWPSKXTBRJ-HUUCEWRRSA-N 2 0 298.475 1.748 10 0 CDAERP C[C@@H](Cc1cnccn1)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000658106266 413207247 /nfs/dbraw/zinc/20/72/47/413207247.db2.gz HJMXZSLNYGPJFQ-GJZGRUSLSA-N 2 0 293.459 1.269 10 0 CDAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCCn1ccnc1 ZINC000182962111 148276018 /nfs/dbraw/zinc/27/60/18/148276018.db2.gz QNDDSCCMCFPERQ-HUUCEWRRSA-N 2 0 262.401 1.832 10 0 CDAERP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)C1 ZINC000262024930 149004289 /nfs/dbraw/zinc/00/42/89/149004289.db2.gz ZDENUTMIOMUBON-ORIJERBGSA-N 2 0 279.428 1.352 10 0 CDAERP CC[NH+](CC)CCSCC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000262751561 149108964 /nfs/dbraw/zinc/10/89/64/149108964.db2.gz JXYPHZOSCZHYRO-OLZOCXBDSA-N 2 0 287.473 1.176 10 0 CDAERP C[C@@H](CC(=O)N1CC[NH+]2CCC1CC2)C1CC[NH2+]CC1 ZINC000335040640 150217293 /nfs/dbraw/zinc/21/72/93/150217293.db2.gz YLMMOYQGTAKYHC-ZDUSSCGKSA-N 2 0 279.428 1.319 10 0 CDAERP CC(C)[NH+]1CCC(N(C)C(=O)[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000335532744 150749296 /nfs/dbraw/zinc/74/92/96/150749296.db2.gz FEGXRQIREBBCCF-HIFRSBDPSA-N 2 0 281.444 1.706 10 0 CDAERP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@H](CO)Cc1ccccc1 ZINC000343668768 152261262 /nfs/dbraw/zinc/26/12/62/152261262.db2.gz PUDUEJLRWJDTTC-FVQBIDKESA-N 2 0 262.397 1.377 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000660587381 413269100 /nfs/dbraw/zinc/26/91/00/413269100.db2.gz QQKXJLFULGKSHQ-ZIAGYGMSSA-N 2 0 298.475 1.889 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000660587379 413269226 /nfs/dbraw/zinc/26/92/26/413269226.db2.gz QQKXJLFULGKSHQ-KGLIPLIRSA-N 2 0 298.475 1.889 10 0 CDAERP COC(C)(C)CC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000346606070 153242064 /nfs/dbraw/zinc/24/20/64/153242064.db2.gz JMMBLYDYNNSIQP-HOTGVXAUSA-N 2 0 297.487 1.759 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000349077436 154045752 /nfs/dbraw/zinc/04/57/52/154045752.db2.gz FBDDDVRJJHSVPZ-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP [NH3+]C1(CC(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000662676737 413297272 /nfs/dbraw/zinc/29/72/72/413297272.db2.gz KXPAVXIUFUNMLG-UHFFFAOYSA-N 2 0 288.395 1.044 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654457372 413309606 /nfs/dbraw/zinc/30/96/06/413309606.db2.gz JAAJCSZWYVNGHL-MCIONIFRSA-N 2 0 282.432 1.110 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)CC2CC2)[C@H]2CCC[C@H]21 ZINC000658256570 413316015 /nfs/dbraw/zinc/31/60/15/413316015.db2.gz XHUCOGQSKRRRRI-LVQVYYBASA-N 2 0 266.429 1.857 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)N1CC[NH+](C)CC1 ZINC000353499421 155901960 /nfs/dbraw/zinc/90/19/60/155901960.db2.gz UETDRABFRAVGFN-QBPKDAKJSA-N 3 0 294.487 1.085 10 0 CDAERP COC(=O)C(C)(C)CC[NH2+]CCCC[NH+]1CCOCC1 ZINC000353930720 156167442 /nfs/dbraw/zinc/16/74/42/156167442.db2.gz HXHCRMCZHHGUNA-UHFFFAOYSA-N 2 0 286.416 1.278 10 0 CDAERP C[C@H](CNC(=O)N(C)CC1C[NH+](C)C1)[N@@H+]1CCC[C@H](C)C1 ZINC000660641844 413321440 /nfs/dbraw/zinc/32/14/40/413321440.db2.gz KUARRKQVQYPYJA-UONOGXRCSA-N 2 0 296.459 1.310 10 0 CDAERP Cc1cncc(CC[NH2+]C2CC[NH+](CC3CC3)CC2)n1 ZINC000658260783 413324959 /nfs/dbraw/zinc/32/49/59/413324959.db2.gz DYASRDPQKTYEQI-UHFFFAOYSA-N 2 0 274.412 1.792 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CC1([NH3+])CC1 ZINC000662696117 413331761 /nfs/dbraw/zinc/33/17/61/413331761.db2.gz SWVMZRQNKGSLQF-NEPJUHHUSA-N 2 0 253.390 1.104 10 0 CDAERP c1cncc([C@H]2C[NH2+]CCN2C[C@H]2CCC[NH2+]C2)c1 ZINC000261683765 304861071 /nfs/dbraw/zinc/86/10/71/304861071.db2.gz IPEUCLBEHDBFKN-DZGCQCFKSA-N 2 0 260.385 1.028 10 0 CDAERP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662717598 413376118 /nfs/dbraw/zinc/37/61/18/413376118.db2.gz APALFAIJDXIKIC-SBEAFCBVSA-N 2 0 265.401 1.152 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCN1CCC(Oc2cnccn2)CC1 ZINC000373234950 160184198 /nfs/dbraw/zinc/18/41/98/160184198.db2.gz XMNWPTPAYINCSX-AWEZNQCLSA-N 2 0 290.411 1.804 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000662745866 413422940 /nfs/dbraw/zinc/42/29/40/413422940.db2.gz PBEPKVUHFYAGRQ-KGLIPLIRSA-N 2 0 285.432 1.072 10 0 CDAERP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc(S(N)(=O)=O)cc1 ZINC000045663933 287022003 /nfs/dbraw/zinc/02/20/03/287022003.db2.gz GUZUYIQSEYENDF-GFCCVEGCSA-N 2 0 299.440 1.326 10 0 CDAERP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H](C)[C@@H](C)[NH3+])C1 ZINC000417592116 287052506 /nfs/dbraw/zinc/05/25/06/287052506.db2.gz XTWFMYUJNBUAJY-MGPQQGTHSA-N 2 0 298.475 1.922 10 0 CDAERP CCOCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001665704086 1173040515 /nfs/dbraw/zinc/04/05/15/1173040515.db2.gz XTOHZLIXEIFIMZ-CABCVRRESA-N 2 0 297.443 1.040 10 0 CDAERP CN([C@@H](C[NH3+])c1cccc(F)c1)C1CC[NH+](C)CC1 ZINC000019261487 170762201 /nfs/dbraw/zinc/76/22/01/170762201.db2.gz JJTGSSYOGQZVBZ-HNNXBMFYSA-N 2 0 265.376 1.852 10 0 CDAERP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[C@@H](C3CC3)[NH2+]1)C2 ZINC000653192404 412126302 /nfs/dbraw/zinc/12/63/02/412126302.db2.gz OHXULRCHYBYQNA-YXWQFLTLSA-N 2 0 277.412 1.104 10 0 CDAERP C[C@H]1CCCN(C(=O)COC2CCC([NH3+])CC2)[C@H]1CC[NH3+] ZINC000653241126 412159201 /nfs/dbraw/zinc/15/92/01/412159201.db2.gz YAUKMXOFWXVQPG-PPWQZUPISA-N 2 0 297.443 1.249 10 0 CDAERP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662794149 413512010 /nfs/dbraw/zinc/51/20/10/413512010.db2.gz OPEQRZVQFUMLKN-MNOVXSKESA-N 2 0 294.399 1.281 10 0 CDAERP O[C@@H](C[NH2+]CCc1noc2ccccc21)C[NH+]1CCCC1 ZINC000656701967 413554361 /nfs/dbraw/zinc/55/43/61/413554361.db2.gz HHGLOMAPECZLLD-ZDUSSCGKSA-N 2 0 289.379 1.417 10 0 CDAERP C[C@@H]1CN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C[C@H](C)[N@H+]1C ZINC000654663702 413558712 /nfs/dbraw/zinc/55/87/12/413558712.db2.gz VLNWWFZZXKGHLH-KPWCQOOUSA-N 2 0 282.432 1.061 10 0 CDAERP CC[N@@H+]1C[C@@H](C)N(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C[C@@H]1C ZINC000654662621 413555947 /nfs/dbraw/zinc/55/59/47/413555947.db2.gz WLRGRVIZAHSMSP-LJISPDSOSA-N 2 0 296.459 1.451 10 0 CDAERP c1cc([C@H]2C[NH2+]CCO2)ccc1N[C@H]1CCC[NH2+]C1 ZINC000656791724 413674327 /nfs/dbraw/zinc/67/43/27/413674327.db2.gz GRFSIOLIJRMWFO-LSDHHAIUSA-N 2 0 261.369 1.511 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000664719708 413614992 /nfs/dbraw/zinc/61/49/92/413614992.db2.gz WGYSFUWOENKCBB-ZDUSSCGKSA-N 2 0 269.433 1.613 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000659325439 413718351 /nfs/dbraw/zinc/71/83/51/413718351.db2.gz MEFKMNWAQQYLRZ-BPNCWPANSA-N 2 0 259.353 1.169 10 0 CDAERP CCN(C(=O)N[C@@H](C)C[NH+](C)C)[C@H]1CC[N@H+](CC)C1 ZINC000664897939 413721860 /nfs/dbraw/zinc/72/18/60/413721860.db2.gz VBBMHOMEZXFYLV-STQMWFEESA-N 2 0 270.421 1.062 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N(C)CC(C)(C)[NH3+] ZINC000659451246 413836597 /nfs/dbraw/zinc/83/65/97/413836597.db2.gz CVQXOEXYUGVJQP-STQMWFEESA-N 2 0 284.448 1.628 10 0 CDAERP COC1CC(CC[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])C1 ZINC000665229787 413953895 /nfs/dbraw/zinc/95/38/95/413953895.db2.gz CMXKOYQPPPWZKV-UUFIZFKYSA-N 2 0 256.390 1.143 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N(C)CC1C[NH+](C)C1 ZINC000661351951 414012337 /nfs/dbraw/zinc/01/23/37/414012337.db2.gz QNXXMSPQGGQDSZ-UHFFFAOYSA-N 2 0 284.448 1.167 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000659554304 413961973 /nfs/dbraw/zinc/96/19/73/413961973.db2.gz GJFOAYLAANBRLX-IGQOVBAYSA-N 2 0 282.432 1.047 10 0 CDAERP CC(C)C[C@H](CNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1)[NH+](C)C ZINC000407443278 413965444 /nfs/dbraw/zinc/96/54/44/413965444.db2.gz VQVIHVVKXCYKJU-QLFBSQMISA-N 2 0 281.444 1.610 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000659620964 414029220 /nfs/dbraw/zinc/02/92/20/414029220.db2.gz RIOBQSGMQOTCRT-HIFRSBDPSA-N 2 0 282.432 1.097 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000659625788 414038302 /nfs/dbraw/zinc/03/83/02/414038302.db2.gz ZVDWHFLMUZYHHT-CQSZACIVSA-N 2 0 284.448 1.343 10 0 CDAERP CCN(C)C(=O)C[N@H+](CCC[NH3+])C1CCCCC1 ZINC000037223148 173044022 /nfs/dbraw/zinc/04/40/22/173044022.db2.gz IXAVVWLAECDCQD-UHFFFAOYSA-N 2 0 255.406 1.448 10 0 CDAERP CSc1ccc(C[NH2+]CCN2CC[NH+](C)CC2)cc1 ZINC000037496760 173235632 /nfs/dbraw/zinc/23/56/32/173235632.db2.gz QLVIEAPLMXSYNL-UHFFFAOYSA-N 2 0 279.453 1.746 10 0 CDAERP C[C@@H](CCNC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)[NH+](C)C ZINC000665355554 414095502 /nfs/dbraw/zinc/09/55/02/414095502.db2.gz YGQPIVHDMAFAAO-STQMWFEESA-N 2 0 284.448 1.499 10 0 CDAERP CCN(C(=O)NC[C@H]1CC[NH+]1C(C)(C)C)[C@@H]1CC[N@H+](C)C1 ZINC000665355332 414098603 /nfs/dbraw/zinc/09/86/03/414098603.db2.gz QKUGLXLOPDLXGZ-ZIAGYGMSSA-N 2 0 296.459 1.595 10 0 CDAERP c1cc(C[NH2+]C[C@H]2CCCO2)n(-c2cc[nH+]cc2)n1 ZINC000657289699 414117598 /nfs/dbraw/zinc/11/75/98/414117598.db2.gz HQAMEQOVAXKHKE-CQSZACIVSA-N 2 0 258.325 1.536 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cccc(C(N)=O)c2)C1 ZINC000655826032 414229708 /nfs/dbraw/zinc/22/97/08/414229708.db2.gz DBPSBUYNAYNSMD-XBXGTLAGSA-N 2 0 261.369 1.215 10 0 CDAERP CC[C@@H]1C[C@H]([NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)CO1 ZINC000657358115 414230157 /nfs/dbraw/zinc/23/01/57/414230157.db2.gz BHCLIAOFHSKQCX-OFQRWUPVSA-N 2 0 281.444 1.312 10 0 CDAERP Cc1cc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)nn1C ZINC000655804288 414198318 /nfs/dbraw/zinc/19/83/18/414198318.db2.gz RSAIUMXGIPPJCZ-RWMBFGLXSA-N 2 0 250.390 1.719 10 0 CDAERP CCN(C(=O)NCC[NH+]1CCC(C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000663629959 414382068 /nfs/dbraw/zinc/38/20/68/414382068.db2.gz OTNJUFDCZRSMOQ-HNNXBMFYSA-N 2 0 296.459 1.454 10 0 CDAERP CC[NH+](CC)C1CCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000037827334 173784810 /nfs/dbraw/zinc/78/48/10/173784810.db2.gz KJRYZHCXARRPMR-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP COC[C@H](C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)OC ZINC000662278031 414609939 /nfs/dbraw/zinc/60/99/39/414609939.db2.gz ZLVXKTLPLOLKBV-IHRRRGAJSA-N 2 0 256.390 1.112 10 0 CDAERP CCCN(Cc1cccc2c1CC[NH2+]C2)[C@@H]1CC[NH2+]C1 ZINC000662247548 414582574 /nfs/dbraw/zinc/58/25/74/414582574.db2.gz XGCVLMBUJGRFQT-MRXNPFEDSA-N 3 0 273.424 1.906 10 0 CDAERP Cn1cc(C[C@H]2CCC[C@H]2[NH2+]CC2CC[NH2+]CC2)cn1 ZINC000662309990 414631156 /nfs/dbraw/zinc/63/11/56/414631156.db2.gz FSYPNFJVOAYWRS-HZPDHXFCSA-N 2 0 276.428 1.721 10 0 CDAERP C[NH2+]CCC[NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000662310226 414632313 /nfs/dbraw/zinc/63/23/13/414632313.db2.gz IFXPVSRQZOGECK-ZIAGYGMSSA-N 2 0 250.390 1.330 10 0 CDAERP [NH3+][C@@H]1CCOC[C@@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000040693986 174378013 /nfs/dbraw/zinc/37/80/13/174378013.db2.gz LJKRFNVZHXBREX-CABCVRRESA-N 2 0 267.417 1.053 10 0 CDAERP CC(C)[NH+]1CCN([C@H](c2ccco2)[C@@H](C)[NH3+])CC1 ZINC000043335147 175011309 /nfs/dbraw/zinc/01/13/09/175011309.db2.gz YXKUJVPLSUJHNH-OCCSQVGLSA-N 2 0 251.374 1.694 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000043512757 175061087 /nfs/dbraw/zinc/06/10/87/175061087.db2.gz NKFYKQTVPFYKIU-CVEARBPZSA-N 2 0 289.423 1.576 10 0 CDAERP CN(C[C@@H]1[NH2+]CCc2ccccc21)C1CC[NH+](C)CC1 ZINC000043595963 175076469 /nfs/dbraw/zinc/07/64/69/175076469.db2.gz XLDFJPANMSUAOD-KRWDZBQOSA-N 2 0 273.424 1.899 10 0 CDAERP CCC[NH+]1CCN([C@@H]2CCCCC[C@@H]2[NH2+]C)CC1 ZINC000043805236 175107655 /nfs/dbraw/zinc/10/76/55/175107655.db2.gz ULURHGFBARLOPM-LSDHHAIUSA-N 2 0 253.434 1.935 10 0 CDAERP C[NH2+][C@@H](C)[C@@H](C)N1CCC([NH+]2CCCCC2)CC1 ZINC000043907787 175123473 /nfs/dbraw/zinc/12/34/73/175123473.db2.gz SUZJPGCPJMEXCG-UONOGXRCSA-N 2 0 253.434 1.933 10 0 CDAERP C[NH2+][C@H](CN1CC[NH+](C2CC2)CC1)c1cccc(OC)c1 ZINC000043967559 175128398 /nfs/dbraw/zinc/12/83/98/175128398.db2.gz XFYFYWQUHGQHAI-QGZVFWFLSA-N 2 0 289.423 1.736 10 0 CDAERP CCN(CC)C(=O)CCC[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531171 175195758 /nfs/dbraw/zinc/19/57/58/175195758.db2.gz QBNPJVIUBTYWTM-CYBMUJFWSA-N 2 0 255.406 1.306 10 0 CDAERP C[N@@H+]1CC[C@H](CNC(=O)C2(C[NH3+])CCCCCC2)C1 ZINC000044763039 175247012 /nfs/dbraw/zinc/24/70/12/175247012.db2.gz GZMQCLGLALDLNW-CYBMUJFWSA-N 2 0 267.417 1.354 10 0 CDAERP CC[NH2+][C@@](C)(CCC[N@@H+]1CCC[C@@H]1CC)C(N)=O ZINC000045367524 175363017 /nfs/dbraw/zinc/36/30/17/175363017.db2.gz STJLNSICQCHLPR-JSGCOSHPSA-N 2 0 255.406 1.495 10 0 CDAERP C[NH2+][C@](C)(CCCC[NH+]1CCCCCC1)C(N)=O ZINC000045377447 175366882 /nfs/dbraw/zinc/36/68/82/175366882.db2.gz HHDKMNMNLHLDRU-CQSZACIVSA-N 2 0 255.406 1.496 10 0 CDAERP CCC[NH2+][C@](C)(CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(N)=O ZINC000045376909 175366890 /nfs/dbraw/zinc/36/68/90/175366890.db2.gz SLJQJDFAOQQEBN-IJEWVQPXSA-N 2 0 299.459 1.510 10 0 CDAERP CC(C)[NH2+][C@@](C)(CCCC[NH+]1C[C@H](C)O[C@@H](C)C1)C(N)=O ZINC000045376916 175366922 /nfs/dbraw/zinc/36/69/22/175366922.db2.gz RTMTVIVGRDRNMB-DZKIICNBSA-N 2 0 299.459 1.508 10 0 CDAERP CCC[N@H+](CCC[C@@](C)([NH2+]C(C)C)C(N)=O)C1CC1 ZINC000045387659 175373930 /nfs/dbraw/zinc/37/39/30/175373930.db2.gz FMGLBECOKQUDNX-OAHLLOKOSA-N 2 0 269.433 1.883 10 0 CDAERP CCOC(=O)[C@@](C)([NH3+])CCC[N@H+](C)CCc1ccncc1 ZINC000045419834 175378047 /nfs/dbraw/zinc/37/80/47/175378047.db2.gz SNBYXOQHLYDECZ-INIZCTEOSA-N 2 0 293.411 1.617 10 0 CDAERP CC[NH2+][C@@](C)(CCC[N@H+](C)[C@@H](C)C(C)(C)C)C(N)=O ZINC000045421029 175380082 /nfs/dbraw/zinc/38/00/82/175380082.db2.gz UIJGOFRRZUCGCC-WFASDCNBSA-N 2 0 271.449 1.987 10 0 CDAERP CC(C)[NH2+][C@H]1CCN(CC[NH+]2CCCCC2)C1=O ZINC000071032230 176023238 /nfs/dbraw/zinc/02/32/38/176023238.db2.gz JZTWCMLNTUAZGX-ZDUSSCGKSA-N 2 0 253.390 1.071 10 0 CDAERP CC[NH2+][C@@H]1CCN(CC[N@H+](C)C2CCCC2)C1=O ZINC000071043706 176029900 /nfs/dbraw/zinc/02/99/00/176029900.db2.gz KPHCRMKTRBEYGB-CYBMUJFWSA-N 2 0 253.390 1.071 10 0 CDAERP CC[C@@H]1CCC[C@](C[NH3+])(N2CC[NH+](CC)CC2)C1 ZINC000071122969 176035395 /nfs/dbraw/zinc/03/53/95/176035395.db2.gz LAUPXTOFTDQWFO-CABCVRRESA-N 2 0 253.434 1.922 10 0 CDAERP Cc1nn(C)c(N(C)C[C@H]2CC[N@H+](C)C2)c1C[NH2+]C1CC1 ZINC000071190054 176065455 /nfs/dbraw/zinc/06/54/55/176065455.db2.gz XOQXKAPIEGPJLZ-ZDUSSCGKSA-N 2 0 291.443 1.368 10 0 CDAERP CCC[NH2+]CC1(CN(C)C[C@H]2CC[N@H+](C)C2)CCOCC1 ZINC000071191281 176069183 /nfs/dbraw/zinc/06/91/83/176069183.db2.gz MGEDSBRZCAQGKL-INIZCTEOSA-N 2 0 297.487 1.666 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1c[nH+]c(NN)c(Cl)c1 ZINC000071193216 176075079 /nfs/dbraw/zinc/07/50/79/176075079.db2.gz VHCOWHPHDGETEF-SECBINFHSA-N 2 0 297.790 1.044 10 0 CDAERP COC[C@@H](O)C[NH2+]C1[C@@H]2CCC[C@H]1C[N@H+](C(C)C)C2 ZINC000071265696 176099025 /nfs/dbraw/zinc/09/90/25/176099025.db2.gz HQOUJIXZNCIRCQ-MBOZISHXSA-N 2 0 270.417 1.092 10 0 CDAERP CCC[NH+]1CCC([C@H](C)[NH2+]C[C@@H](O)C2CC2)CC1 ZINC000071300896 176113494 /nfs/dbraw/zinc/11/34/94/176113494.db2.gz BCMVXZVBIKGJFY-SWLSCSKDSA-N 2 0 254.418 1.857 10 0 CDAERP C(CNC1=[NH+]C[C@@H](C2CC2)S1)C[NH+]1CCCC1 ZINC000071308137 176116402 /nfs/dbraw/zinc/11/64/02/176116402.db2.gz FOJSMTNAVCJXMT-LBPRGKRZSA-N 2 0 253.415 1.943 10 0 CDAERP CCCN(C[C@@H]1C[N@H+](CC(C)C)CCO1)[C@@H]1CC[NH2+]C1 ZINC000071331508 176124768 /nfs/dbraw/zinc/12/47/68/176124768.db2.gz DTFDHONXNBLKNO-CVEARBPZSA-N 2 0 283.460 1.417 10 0 CDAERP CCC[C@]1(C(=O)NCC[N@H+](C)C2CCCC2)CC[NH2+]C1 ZINC000071378515 176143049 /nfs/dbraw/zinc/14/30/49/176143049.db2.gz IQZZERXGRZZEFT-INIZCTEOSA-N 2 0 281.444 1.757 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCC[C@@H]1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000071380134 176144069 /nfs/dbraw/zinc/14/40/69/176144069.db2.gz SSHNNCVUTNCNCM-SNPRPXQTSA-N 2 0 281.444 1.741 10 0 CDAERP C[C@@H]1CC[C@H](C[NH3+])[C@H](N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000071380501 176144830 /nfs/dbraw/zinc/14/48/30/176144830.db2.gz NSLVAHNXMROGSI-RBSFLKMASA-N 2 0 283.460 1.138 10 0 CDAERP C[C@@H]([NH3+])[C@H](N1CC[NH+](CC(C)(C)O)CC1)C(C)(C)C ZINC000071380412 176145110 /nfs/dbraw/zinc/14/51/10/176145110.db2.gz BBQBEQIWRFQNLT-OLZOCXBDSA-N 2 0 271.449 1.137 10 0 CDAERP CC[NH2+][C@H]1CCC[C@@H]1CN1CC[NH+](CC(C)(C)O)CC1 ZINC000071381839 176145659 /nfs/dbraw/zinc/14/56/59/176145659.db2.gz LCTSYZAQWSFLGD-CABCVRRESA-N 2 0 283.460 1.153 10 0 CDAERP C[NH+]1CCC(Oc2nc3ccccc3cc2C(N)=[NH2+])CC1 ZINC000071390382 176148330 /nfs/dbraw/zinc/14/83/30/176148330.db2.gz LKVNCOSNNAHAOY-UHFFFAOYSA-N 2 0 284.363 1.992 10 0 CDAERP C[C@@]1([NH2+]CCC[C@H]([NH3+])c2ccccc2)CCS(=O)(=O)C1 ZINC000071401984 176153690 /nfs/dbraw/zinc/15/36/90/176153690.db2.gz KJGDCGZVBAGBQB-LSDHHAIUSA-N 2 0 296.436 1.633 10 0 CDAERP C[NH+](C)CCN(Cc1ccccc1Cl)C(=O)C[NH3+] ZINC000076708435 177066794 /nfs/dbraw/zinc/06/67/94/177066794.db2.gz HACQKLBZLTXPJU-UHFFFAOYSA-N 2 0 269.776 1.189 10 0 CDAERP CCOC(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000078743016 177380452 /nfs/dbraw/zinc/38/04/52/177380452.db2.gz QZOFQQAQHOFEBD-UHFFFAOYSA-N 2 0 257.378 1.101 10 0 CDAERP CC(C)C[C@@H](CNC(=O)CC[C@H](C)CC[NH3+])[NH+](C)C ZINC000079119416 177437097 /nfs/dbraw/zinc/43/70/97/177437097.db2.gz XLOIRUFUPLVUOC-KBPBESRZSA-N 2 0 271.449 1.844 10 0 CDAERP CC[C@H](CC[NH3+])CCC(=O)NCC[NH+](CC)CC ZINC000079206088 177445487 /nfs/dbraw/zinc/44/54/87/177445487.db2.gz STMBFRXSNKPMCA-ZDUSSCGKSA-N 2 0 257.422 1.600 10 0 CDAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1cn(C)cn1 ZINC000313276698 260275838 /nfs/dbraw/zinc/27/58/38/260275838.db2.gz YWYFLJGZWJSLFW-KGLIPLIRSA-N 2 0 264.417 1.863 10 0 CDAERP C[NH+](C)[C@@H]1CCCN(C(=O)c2ccccc2CC[NH3+])CC1 ZINC000518787697 262173091 /nfs/dbraw/zinc/17/30/91/262173091.db2.gz WPLGAJSTCJXSDS-OAHLLOKOSA-N 2 0 289.423 1.744 10 0 CDAERP [NH3+]CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390620039 262229187 /nfs/dbraw/zinc/22/91/87/262229187.db2.gz ZELNFPPWXFXCNF-MQVJKMGUSA-N 2 0 259.397 1.730 10 0 CDAERP [NH3+]CCCNC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659510340 423835520 /nfs/dbraw/zinc/83/55/20/423835520.db2.gz OAVCTTWNJMMVIT-LBPRGKRZSA-N 2 0 268.405 1.041 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2)C1CCCCC1 ZINC000655444497 423852875 /nfs/dbraw/zinc/85/28/75/423852875.db2.gz FMPAFJBKMWUSCL-DOTOQJQBSA-N 2 0 293.455 1.757 10 0 CDAERP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2cccc(N)c2)CCO1 ZINC000662324484 423958419 /nfs/dbraw/zinc/95/84/19/423958419.db2.gz WNFRRSMOCBJUTO-MRXNPFEDSA-N 2 0 277.412 1.811 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000415006810 423916401 /nfs/dbraw/zinc/91/64/01/423916401.db2.gz ALCVHKUPAIQLJZ-ZDUSSCGKSA-N 2 0 273.384 1.874 10 0 CDAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N(C)CC[NH+]1CCCCC1 ZINC000652215875 424068189 /nfs/dbraw/zinc/06/81/89/424068189.db2.gz BTCOESGZLBMATH-KBPBESRZSA-N 2 0 282.432 1.112 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(C)CC[NH+]1CCCCC1 ZINC000652214661 424070264 /nfs/dbraw/zinc/07/02/64/424070264.db2.gz MQHFOLNDDFOAIV-ZIAGYGMSSA-N 2 0 282.432 1.112 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCC2(C[NH3+])CC2)[C@@H](C)C1 ZINC000652239203 424119419 /nfs/dbraw/zinc/11/94/19/424119419.db2.gz DNACJPFJHNFXSD-UONOGXRCSA-N 2 0 296.459 1.487 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)C[C@H]1CC[NH2+]C1 ZINC000664719075 424326884 /nfs/dbraw/zinc/32/68/84/424326884.db2.gz MSMGLUBKHYQVKA-GFCCVEGCSA-N 2 0 255.406 1.223 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662699454 424337403 /nfs/dbraw/zinc/33/74/03/424337403.db2.gz AMUGGLUXHXVRBR-CQSZACIVSA-N 2 0 293.455 1.898 10 0 CDAERP CC[N@H+](C)C[C@H](O)CN[C@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000653663777 424401557 /nfs/dbraw/zinc/40/15/57/424401557.db2.gz IZRSGLWZZGCTFW-IKGGRYGDSA-N 2 0 291.439 1.334 10 0 CDAERP c1cn(CCC[NH2+]Cc2cc3n(n2)CCCC3)cn1 ZINC000655703180 424452205 /nfs/dbraw/zinc/45/22/05/424452205.db2.gz BKRXUGJCOMLZKZ-UHFFFAOYSA-N 2 0 259.357 1.596 10 0 CDAERP Cc1cnn(CC[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1 ZINC000397250208 270347989 /nfs/dbraw/zinc/34/79/89/270347989.db2.gz CFXRARSWBHKOCI-MCIONIFRSA-N 2 0 250.390 1.497 10 0 CDAERP C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000530215791 271158132 /nfs/dbraw/zinc/15/81/32/271158132.db2.gz IZZDHJHJWZLRHL-NUEKZKHPSA-N 2 0 273.424 1.819 10 0 CDAERP CC(C)C[C@@H](C)C[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530221473 271162815 /nfs/dbraw/zinc/16/28/15/271162815.db2.gz DNVJQBJFBXDTMY-OAHLLOKOSA-N 2 0 296.459 1.311 10 0 CDAERP COc1ccc(CC[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)cn1 ZINC000530224048 271168147 /nfs/dbraw/zinc/16/81/47/271168147.db2.gz VYRVTACBGNOMJJ-GXTWGEPZSA-N 2 0 263.385 1.610 10 0 CDAERP CC(C)(C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)C(=O)N1CCCC1 ZINC000530226153 271168772 /nfs/dbraw/zinc/16/87/72/271168772.db2.gz QDWGSJIGOPFWTE-CHWSQXEVSA-N 2 0 267.417 1.495 10 0 CDAERP CC1(C)CC(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000530227674 271170998 /nfs/dbraw/zinc/17/09/98/271170998.db2.gz UZNNRRLNDQOFGZ-AWEZNQCLSA-N 2 0 251.418 1.402 10 0 CDAERP CCc1cc(N2CC[NH2+]CC2)nc(N2CCCC2)[nH+]1 ZINC000057329328 273768361 /nfs/dbraw/zinc/76/83/61/273768361.db2.gz QPVYLSIRYQEYIR-UHFFFAOYSA-N 2 0 261.373 1.049 10 0 CDAERP CCC[NH2+]CC[C@@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001668095492 1173367659 /nfs/dbraw/zinc/36/76/59/1173367659.db2.gz ABMRDHPNDPCEPW-ZIAGYGMSSA-N 2 0 269.433 1.755 10 0 CDAERP CC(C)[C@H](C(=O)N[C@@H](C[NH3+])C1CCCC1)[C@@H](C)[NH3+] ZINC000423966444 276013144 /nfs/dbraw/zinc/01/31/44/276013144.db2.gz RXAOXBUYRDKUSD-WXHSDQCUSA-N 2 0 255.406 1.240 10 0 CDAERP CC[NH+](CC)CC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107666860 276093225 /nfs/dbraw/zinc/09/32/25/276093225.db2.gz KJJGDQGVGXXTSQ-OAHLLOKOSA-N 2 0 281.444 1.805 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC2CC[NH+](C3CC3)CC2)C1 ZINC000310754526 276369266 /nfs/dbraw/zinc/36/92/66/276369266.db2.gz KZRRSCZGDKAXFU-CQSZACIVSA-N 2 0 251.418 1.687 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCC[C@@H]2O)[C@H]2CCC[C@@H]21 ZINC000453378721 277172077 /nfs/dbraw/zinc/17/20/77/277172077.db2.gz ZOFXPPNEEUBPAX-OWYFMNJBSA-N 2 0 266.429 2.000 10 0 CDAERP C[C@@H](C(=O)N[C@@H]1C[NH2+]CCC1(F)F)[NH+]1CCCCCC1 ZINC000334654824 277553847 /nfs/dbraw/zinc/55/38/47/277553847.db2.gz QVHWSGKFJJKWFN-NWDGAFQWSA-N 2 0 289.370 1.364 10 0 CDAERP C[C@@H](C[NH+](C)C)NC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000297597397 277566916 /nfs/dbraw/zinc/56/69/16/277566916.db2.gz DKMRUETUJBDMTK-NSHDSACASA-N 2 0 275.356 1.084 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000232828149 278221397 /nfs/dbraw/zinc/22/13/97/278221397.db2.gz KUYPOKFKIZUOPE-BFHYXJOUSA-N 2 0 279.428 1.508 10 0 CDAERP CC1(C)CN(C(=O)C23CCC[NH+]2CCC3)CC[C@H]1[NH3+] ZINC000335054471 278295411 /nfs/dbraw/zinc/29/54/11/278295411.db2.gz YSCCGXVBLSOHDS-GFCCVEGCSA-N 2 0 265.401 1.201 10 0 CDAERP CC[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C(=O)NC ZINC000423168934 288068262 /nfs/dbraw/zinc/06/82/62/288068262.db2.gz VMBPFAWZIVAABH-MROQNXINSA-N 2 0 253.390 1.021 10 0 CDAERP CC[NH+]1CCC(CC[NH2+][C@@H](C)C[C@H]2COCCN2)CC1 ZINC000422781366 279256933 /nfs/dbraw/zinc/25/69/33/279256933.db2.gz IQKYKKRQLJYVSL-HOCLYGCPSA-N 2 0 283.460 1.465 10 0 CDAERP CC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000252458056 279261696 /nfs/dbraw/zinc/26/16/96/279261696.db2.gz HTTKOSPJYLPBHF-YUELXQCFSA-N 2 0 279.428 1.508 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000252576306 279297571 /nfs/dbraw/zinc/29/75/71/279297571.db2.gz IAVKJDPSMQCGTJ-RBSFLKMASA-N 2 0 281.444 1.837 10 0 CDAERP CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000121713244 279395620 /nfs/dbraw/zinc/39/56/20/279395620.db2.gz ALHKOMPDAYZXJZ-STQMWFEESA-N 2 0 255.406 1.031 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000245203134 280203287 /nfs/dbraw/zinc/20/32/87/280203287.db2.gz ZQSWSBCMCQJXBZ-XGUBFFRZSA-N 2 0 281.444 1.848 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)N(C)[C@@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000246140271 280258485 /nfs/dbraw/zinc/25/84/85/280258485.db2.gz BVYVOOWYHZYLMJ-QLFBSQMISA-N 2 0 296.459 1.452 10 0 CDAERP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1N(C)C(=O)C[NH3+] ZINC000246258674 288218061 /nfs/dbraw/zinc/21/80/61/288218061.db2.gz KSKNTUNZHZXNAM-HALDLXJZSA-N 2 0 289.423 1.560 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC[C@H]1CC[NH2+]C1 ZINC000251778777 288301357 /nfs/dbraw/zinc/30/13/57/288301357.db2.gz MUYYTVXNJZSGBZ-HZSPNIEDSA-N 2 0 265.401 1.071 10 0 CDAERP C[C@H]([NH2+][C@@H]1CCCN(CCCO)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527713095 281175263 /nfs/dbraw/zinc/17/52/63/281175263.db2.gz JYMVPIDNNPETLZ-UKMLZYKCSA-N 2 0 266.429 1.857 10 0 CDAERP CC1(C)CN(C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])CC[C@@H]1[NH3+] ZINC000261718939 281193733 /nfs/dbraw/zinc/19/37/33/281193733.db2.gz CFNTWJFHSXUGMX-HUBLWGQQSA-N 2 0 267.417 1.480 10 0 CDAERP CCN(CC[NH2+]CCCO)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001668576020 1173429168 /nfs/dbraw/zinc/42/91/68/1173429168.db2.gz ZLGGXROULXEVLV-OAHLLOKOSA-N 2 0 299.459 1.070 10 0 CDAERP CCC[C@H](C(=O)N[C@@H](CC(C)C)C[NH+](C)C)[NH+](C)C ZINC000152911050 289150262 /nfs/dbraw/zinc/15/02/62/289150262.db2.gz VAAFSUYFPLZSMQ-UONOGXRCSA-N 2 0 271.449 1.809 10 0 CDAERP C[C@@]1(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)CC[NH2+]C1 ZINC000262026932 289164527 /nfs/dbraw/zinc/16/45/27/289164527.db2.gz NQNVLMSSISKBNI-XJKSGUPXSA-N 2 0 289.427 1.403 10 0 CDAERP C[C@@]1(CNC(=O)N2CCC3(CC[NH2+]C3)CC2)CCC[NH2+]C1 ZINC000333896585 289167050 /nfs/dbraw/zinc/16/70/50/289167050.db2.gz ZDKTVEFLQCONEO-OAHLLOKOSA-N 2 0 294.443 1.161 10 0 CDAERP CCC[C@H](C(=O)NCC(C)(C)C[NH+](C)C)[NH+](C)C ZINC000158965730 289321350 /nfs/dbraw/zinc/32/13/50/289321350.db2.gz UZVDGZWLDZPRSE-GFCCVEGCSA-N 2 0 257.422 1.421 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)NCCC[NH+]1CCCC1 ZINC000542725472 289558542 /nfs/dbraw/zinc/55/85/42/289558542.db2.gz XWLARXRCFOMWQF-UHFFFAOYSA-N 2 0 270.421 1.065 10 0 CDAERP CC(C)C[C@H](C)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000546617575 289735081 /nfs/dbraw/zinc/73/50/81/289735081.db2.gz NMBDLNGQUWNWKR-AWEZNQCLSA-N 2 0 271.449 1.620 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000193305463 289767702 /nfs/dbraw/zinc/76/77/02/289767702.db2.gz UZRZYTIGRXSWCZ-STQMWFEESA-N 2 0 253.390 1.201 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](O)C2(C)C)[C@H]2CCC[C@H]21 ZINC000353671065 290225549 /nfs/dbraw/zinc/22/55/49/290225549.db2.gz JJLVZWLJYKLCIG-ITGHMWBKSA-N 2 0 252.402 1.608 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H](CCO)C1CCCCC1 ZINC000422989646 292805085 /nfs/dbraw/zinc/80/50/85/292805085.db2.gz AZKFLVQQTXHBIR-CABCVRRESA-N 2 0 272.433 1.661 10 0 CDAERP NC(=O)N1CCC([NH2+]CCCCC[NH+]2CCCCC2)CC1 ZINC000164615009 292852883 /nfs/dbraw/zinc/85/28/83/292852883.db2.gz AMYGGCOHFYKKPF-UHFFFAOYSA-N 2 0 296.459 1.775 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCN(C)C1CCCC1 ZINC000234784147 293096334 /nfs/dbraw/zinc/09/63/34/293096334.db2.gz JEZHVQDPVWIJNU-ZDUSSCGKSA-N 2 0 257.422 1.204 10 0 CDAERP OCCN1CCCC[C@@H]1C[NH2+]Cc1cccc(F)c1F ZINC000562670272 293170140 /nfs/dbraw/zinc/17/01/40/293170140.db2.gz OGXDFDDIPHBVDJ-CYBMUJFWSA-N 2 0 284.350 1.901 10 0 CDAERP O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000562809799 293201225 /nfs/dbraw/zinc/20/12/25/293201225.db2.gz KSDGZIHFHYAUBH-QSJFSLAZSA-N 2 0 291.439 1.509 10 0 CDAERP CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC000562983620 293233527 /nfs/dbraw/zinc/23/35/27/293233527.db2.gz AFLZIXXZTRWHKY-IXDOHACOSA-N 2 0 297.487 1.399 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000565150376 293532006 /nfs/dbraw/zinc/53/20/06/293532006.db2.gz JJBTWZKXTRGIHH-UYJPIKCFSA-N 2 0 279.428 1.495 10 0 CDAERP C[NH2+]C1CCN(C(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000565302076 293586646 /nfs/dbraw/zinc/58/66/46/293586646.db2.gz ASLDEDJIPURYMB-OAHLLOKOSA-N 2 0 289.423 1.923 10 0 CDAERP CCOC[C@@H](O)C[NH2+]Cc1ccc(CC[NH+](C)C)cc1 ZINC000565416657 293607412 /nfs/dbraw/zinc/60/74/12/293607412.db2.gz ASVCUUFNKRKPSW-INIZCTEOSA-N 2 0 280.412 1.278 10 0 CDAERP C[C@H]1CC([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C[C@H](C)C1 ZINC000568751086 294094151 /nfs/dbraw/zinc/09/41/51/294094151.db2.gz XRCBOTZUVYMSHM-IIAWOOMASA-N 2 0 283.460 1.009 10 0 CDAERP CCc1nncn1CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000570233183 294200939 /nfs/dbraw/zinc/20/09/39/294200939.db2.gz QKRUGGWXOXRCTD-MCIONIFRSA-N 2 0 277.416 1.303 10 0 CDAERP C[C@H](NCC[NH+]1CCC(C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000570389170 294228139 /nfs/dbraw/zinc/22/81/39/294228139.db2.gz REWZDUNHQVFGMP-LSDHHAIUSA-N 2 0 253.434 1.696 10 0 CDAERP CC[C@H](C)NC(=O)[C@H](C)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000570720729 294295885 /nfs/dbraw/zinc/29/58/85/294295885.db2.gz LNERMDDFHMENBO-KCQAQPDRSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N(C)C(C)(C)C[NH+]2CCCC2)C1 ZINC000571178206 294384801 /nfs/dbraw/zinc/38/48/01/294384801.db2.gz ZCDJQNQBDVNOMN-AWEZNQCLSA-N 2 0 281.444 1.661 10 0 CDAERP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000575043792 295090565 /nfs/dbraw/zinc/09/05/65/295090565.db2.gz RGLNGZPMTPMRRB-MQYQWHSLSA-N 2 0 267.417 1.364 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000089456814 295271662 /nfs/dbraw/zinc/27/16/62/295271662.db2.gz VFBXECIDKDZGRR-HZSPNIEDSA-N 2 0 265.401 1.058 10 0 CDAERP CSCC[C@H]([NH3+])C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000262595484 295604707 /nfs/dbraw/zinc/60/47/07/295604707.db2.gz WOJVVGIJBBCGJK-KGLIPLIRSA-N 2 0 299.484 1.257 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000156797373 297095434 /nfs/dbraw/zinc/09/54/34/297095434.db2.gz VKECQJIDTMEISG-MLGOLLRUSA-N 2 0 285.391 1.599 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000414943370 297107895 /nfs/dbraw/zinc/10/78/95/297107895.db2.gz NSMNLHIZBGKRHS-NIFZNCRKSA-N 2 0 251.418 1.495 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000423437385 298392337 /nfs/dbraw/zinc/39/23/37/298392337.db2.gz QJFUWMVODLWWPQ-TUVASFSCSA-N 3 0 253.434 1.966 10 0 CDAERP C[C@H]1C[NH2+]CC[C@H]1NC1CC[NH+](C(C)(C)C)CC1 ZINC000261559162 300325822 /nfs/dbraw/zinc/32/58/22/300325822.db2.gz DMNGRHZUXSZANM-GXTWGEPZSA-N 2 0 253.434 1.837 10 0 CDAERP CC(C)C[NH2+]C/C=C/CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001669200760 1173516811 /nfs/dbraw/zinc/51/68/11/1173516811.db2.gz IMILSAXADBJVFB-XEVLESSRSA-N 2 0 281.444 1.777 10 0 CDAERP C[C@]1(CN2CCC[C@H]2C[NH+]2CCCCC2)CC[NH2+]C1 ZINC000262104754 300796594 /nfs/dbraw/zinc/79/65/94/300796594.db2.gz VVKQUXNURTXAOZ-HOTGVXAUSA-N 2 0 265.445 1.936 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000261812388 303425354 /nfs/dbraw/zinc/42/53/54/303425354.db2.gz RYAUJWXDXPZXFT-BZUAXINKSA-N 2 0 293.455 1.838 10 0 CDAERP CN(CCC[NH2+]C/C=C/Cl)C(=O)C1([NH+](C)C)CCC1 ZINC001670123904 1173656124 /nfs/dbraw/zinc/65/61/24/1173656124.db2.gz FJWFMCUOEJVTBI-WEVVVXLNSA-N 2 0 287.835 1.661 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000569676560 316824581 /nfs/dbraw/zinc/82/45/81/316824581.db2.gz VMSFILKDCOAXFK-HOCLYGCPSA-N 2 0 296.459 1.502 10 0 CDAERP C[C@H](NCC1([NH+](C)C)CCCC1)[C@H]1CCC[NH2+]C1 ZINC000575914194 317037486 /nfs/dbraw/zinc/03/74/86/317037486.db2.gz QJXPDVCVYDSCEF-KBPBESRZSA-N 2 0 253.434 1.839 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000578759487 324016602 /nfs/dbraw/zinc/01/66/02/324016602.db2.gz PTSGVGUCWRBJGH-CQSZACIVSA-N 2 0 275.396 1.450 10 0 CDAERP CC(C)CC(C)(C)C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000582660830 325017974 /nfs/dbraw/zinc/01/79/74/325017974.db2.gz QKWOMBCBVZUURI-OAHLLOKOSA-N 2 0 285.476 1.257 10 0 CDAERP CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000583713168 325227787 /nfs/dbraw/zinc/22/77/87/325227787.db2.gz ODRRPRQDNLUBRK-MELADBBJSA-N 2 0 267.417 1.269 10 0 CDAERP Cc1ncsc1C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001731897998 1159389125 /nfs/dbraw/zinc/38/91/25/1159389125.db2.gz HYIUAPORAOEJQG-LBPRGKRZSA-N 2 0 296.440 1.094 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001481064310 1159510370 /nfs/dbraw/zinc/51/03/70/1159510370.db2.gz HPGINMHNEQOPRT-KGLIPLIRSA-N 2 0 267.417 1.317 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC/C=C/C[NH2+]CCCF)CC[N@@H+]1C ZINC001268540908 1159966789 /nfs/dbraw/zinc/96/67/89/1159966789.db2.gz BMTDMESCHJOIKY-OOPLNXAUSA-N 2 0 285.407 1.338 10 0 CDAERP C[NH+](C)CCOc1ccc(NC(=O)CC2([NH3+])CC2)cc1 ZINC000398105423 482244107 /nfs/dbraw/zinc/24/41/07/482244107.db2.gz KCUMQTWACMXOSN-UHFFFAOYSA-N 2 0 277.368 1.447 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]([NH3+])c2ccccc2)C1 ZINC000226708331 482468215 /nfs/dbraw/zinc/46/82/15/482468215.db2.gz BYGLAPVIEOKDBF-ZIAGYGMSSA-N 2 0 261.369 1.287 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)NC/C=C/C[NH3+])c1ccccc1 ZINC000668562757 482478129 /nfs/dbraw/zinc/47/81/29/482478129.db2.gz ZCWGHHWOHYEAIQ-UZYOAWRESA-N 2 0 276.384 1.103 10 0 CDAERP C[NH+]1CCC(CCNC(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000157931826 482511316 /nfs/dbraw/zinc/51/13/16/482511316.db2.gz FWZYKLBYGYFICI-UONOGXRCSA-N 2 0 267.417 1.210 10 0 CDAERP [NH3+][C@H](CCC(=O)N[C@H]1C[NH2+]CCC1(F)F)c1ccccc1 ZINC000669520441 482559542 /nfs/dbraw/zinc/55/95/42/482559542.db2.gz PDXQKBBZFWJSJF-OLZOCXBDSA-N 2 0 297.349 1.580 10 0 CDAERP C[C@H]([NH3+])CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000669545849 482643364 /nfs/dbraw/zinc/64/33/64/482643364.db2.gz GIXWKALQAGIASN-FPMFFAJLSA-N 2 0 276.384 1.078 10 0 CDAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CCC(=O)N1 ZINC000093516613 482717967 /nfs/dbraw/zinc/71/79/67/482717967.db2.gz CBJHXHSUKTVXEC-UPJWGTAASA-N 2 0 253.390 1.165 10 0 CDAERP Cc1nccn1-c1ccccc1CNC(=O)Cn1ccnc1 ZINC000673649250 482799083 /nfs/dbraw/zinc/79/90/83/482799083.db2.gz XDWPLZYIZNONGF-UHFFFAOYSA-N 2 0 295.346 1.694 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000389571508 482837349 /nfs/dbraw/zinc/83/73/49/482837349.db2.gz IRHABXJLNGCYEY-AJNGGQMLSA-N 2 0 279.428 1.508 10 0 CDAERP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC/C=C/C[NH3+])C1 ZINC000669406522 482908730 /nfs/dbraw/zinc/90/87/30/482908730.db2.gz VAQUUPCJACLBQL-IHVVCDCBSA-N 2 0 282.432 1.311 10 0 CDAERP CN(CC[NH+](C)C)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000674285245 482983583 /nfs/dbraw/zinc/98/35/83/482983583.db2.gz VZZKLMVYSLBDRW-UHFFFAOYSA-N 2 0 288.355 1.293 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000667040005 483061997 /nfs/dbraw/zinc/06/19/97/483061997.db2.gz KCLSNAAYCWCOJN-ZFWWWQNUSA-N 2 0 299.422 1.992 10 0 CDAERP CN(Cc1cocn1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000685457066 483130539 /nfs/dbraw/zinc/13/05/39/483130539.db2.gz BDONELMQXNTYOR-OAHLLOKOSA-N 2 0 278.400 1.275 10 0 CDAERP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@@H]1OCCc2ccccc21 ZINC000674882439 483167394 /nfs/dbraw/zinc/16/73/94/483167394.db2.gz MOHGWTOFZRFWAT-KCXAZCMYSA-N 2 0 260.381 1.840 10 0 CDAERP C[C@@H](NC(=O)NCCN(C)CCC[NH+](C)C)C(F)(F)F ZINC000667272830 483191502 /nfs/dbraw/zinc/19/15/02/483191502.db2.gz ZBJDGZNTJOUYHG-SNVBAGLBSA-N 2 0 298.353 1.120 10 0 CDAERP CC[NH+]1CCC(N(C)Cc2cnn3c2CCC3)CC1 ZINC000667494034 483317116 /nfs/dbraw/zinc/31/71/16/483317116.db2.gz LFIICQUQYQDRKZ-UHFFFAOYSA-N 2 0 262.401 1.745 10 0 CDAERP C[C@H]1CN(Cc2ccnn2-c2cc[nH+]cc2)CCCO1 ZINC000667590772 483342935 /nfs/dbraw/zinc/34/29/35/483342935.db2.gz ARKUIGLTAKCCAN-ZDUSSCGKSA-N 2 0 272.352 1.878 10 0 CDAERP O=C1NCC[C@H]1[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000676240245 483447654 /nfs/dbraw/zinc/44/76/54/483447654.db2.gz IWUQHXJLXKHGDA-OAHLLOKOSA-N 2 0 279.428 1.463 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055090084 519793317 /nfs/dbraw/zinc/79/33/17/519793317.db2.gz NCCKWBIJQPTXCD-FRRDWIJNSA-N 2 0 255.406 1.206 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001712972346 1178279060 /nfs/dbraw/zinc/27/90/60/1178279060.db2.gz UUHOKEISKIQESW-LSDHHAIUSA-N 2 0 283.460 1.812 10 0 CDAERP CC(C)[C@@H](C(=O)NC[C@H](C)C[NH2+]CCF)[NH+]1CCCC1 ZINC001714452288 1179145939 /nfs/dbraw/zinc/14/59/39/1179145939.db2.gz HTCAZRAGCUMAAO-KGLIPLIRSA-N 2 0 287.423 1.418 10 0 CDAERP CC[N@@H+]1CC[C@H](C[NH2+]CCCOCC(F)(F)F)C1 ZINC000049312351 521717415 /nfs/dbraw/zinc/71/74/15/521717415.db2.gz ORGKVGLVKBJOCA-LLVKDONJSA-N 2 0 268.323 1.887 10 0 CDAERP CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCCF ZINC001715729132 1179782327 /nfs/dbraw/zinc/78/23/27/1179782327.db2.gz MOQCSHQXSYTJFX-CHWSQXEVSA-N 2 0 273.396 1.028 10 0 CDAERP C[NH2+]C(C)(C)C(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000061317687 521933101 /nfs/dbraw/zinc/93/31/01/521933101.db2.gz SSNBNSNWRBHOSB-UHFFFAOYSA-N 2 0 255.406 1.317 10 0 CDAERP C[C@@H](F)CC[NH2+]C/C=C\CNC(=O)C[NH+]1CCCC1 ZINC001715909681 1179908957 /nfs/dbraw/zinc/90/89/57/1179908957.db2.gz RBOWZLAKIVRMNT-XQJDBVBESA-N 2 0 271.380 1.092 10 0 CDAERP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H]1CCCC[C@@H]1O ZINC000054602321 521952366 /nfs/dbraw/zinc/95/23/66/521952366.db2.gz ULHFYDNWTGMUNM-ZKXZWOTCSA-N 2 0 252.402 1.895 10 0 CDAERP CCC[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001716659090 1180342803 /nfs/dbraw/zinc/34/28/03/1180342803.db2.gz SMOJTMCVKWMZMY-ZDUSSCGKSA-N 2 0 267.417 1.461 10 0 CDAERP C(CN1CC[NH+](C2CCCC2)CC1)[NH2+]C1CCOCC1 ZINC000062767746 518388748 /nfs/dbraw/zinc/38/87/48/518388748.db2.gz AINVKMVUHKMMOR-UHFFFAOYSA-N 2 0 281.444 1.315 10 0 CDAERP C([NH2+]C1CC1)[C@H]1CC[C@H](C[NH+]2CCSCC2)O1 ZINC000052443289 518398249 /nfs/dbraw/zinc/39/82/49/518398249.db2.gz YMBDDIJSBUWEQS-CHWSQXEVSA-N 2 0 256.415 1.335 10 0 CDAERP CC(C)[NH+]1CCC(C[NH3+])(N2CCCO[C@H](C)C2)CC1 ZINC000061916152 519669382 /nfs/dbraw/zinc/66/93/82/519669382.db2.gz QHQOXCIIRGMSMK-CQSZACIVSA-N 2 0 269.433 1.299 10 0 CDAERP CC(C)[NH+]1CCN(C(=O)[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000055087640 519679985 /nfs/dbraw/zinc/67/99/85/519679985.db2.gz LORJRYYNQLSOQX-STQMWFEESA-N 2 0 253.390 1.057 10 0 CDAERP CC(C)[NH+]1CCN(C(=O)[C@H]2CC[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000055129210 519680127 /nfs/dbraw/zinc/68/01/27/519680127.db2.gz IYSKSEKCGMKWEV-IHRRRGAJSA-N 2 0 267.417 1.303 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050947849 519715917 /nfs/dbraw/zinc/71/59/17/519715917.db2.gz DEHZIIKYTKGXFM-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[NH2+]C[C@@H](C)N1CC[NH+](C2CCCC2)CC1 ZINC000052573451 519723041 /nfs/dbraw/zinc/72/30/41/519723041.db2.gz RUFFWGBKDQGJHD-CQSZACIVSA-N 2 0 253.434 1.933 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C)[C@@H]([NH3+])C2)CC1 ZINC000055132070 519724551 /nfs/dbraw/zinc/72/45/51/519724551.db2.gz UOWXVRPXHDAFTA-ILXRZTDVSA-N 2 0 281.444 1.550 10 0 CDAERP CC(C)[NH2+][C@H](CO)CCN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000070337622 519738850 /nfs/dbraw/zinc/73/88/50/519738850.db2.gz AZPPJIKUIKYFOS-HOTGVXAUSA-N 2 0 283.460 1.296 10 0 CDAERP CC(C)C[NH2+]CC1(C[N@@H+]2CCCC[C@H]2CO)CCOCC1 ZINC000052183607 519742813 /nfs/dbraw/zinc/74/28/13/519742813.db2.gz WZNAWFCHHIWTSX-INIZCTEOSA-N 2 0 298.471 1.876 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000052882872 519814268 /nfs/dbraw/zinc/81/42/68/519814268.db2.gz GKHUTJWSKVPTEH-HOCLYGCPSA-N 2 0 277.412 1.563 10 0 CDAERP CCC[NH2+]CC(C)(C)CN1CCN(CC[NH+](C)C)CC1 ZINC000061653759 519908833 /nfs/dbraw/zinc/90/88/33/519908833.db2.gz QOOCOAROOWIYSX-UHFFFAOYSA-N 2 0 284.492 1.191 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@@H](C[N@@H+]2CCOC[C@@H]2CC)O1 ZINC000052481617 519924375 /nfs/dbraw/zinc/92/43/75/519924375.db2.gz WIMMSPJCUUBZQH-KKUMJFAQSA-N 2 0 270.417 1.644 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000061266256 519935762 /nfs/dbraw/zinc/93/57/62/519935762.db2.gz NGGDCOBKLVMMQR-ZIAGYGMSSA-N 2 0 269.433 1.470 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@H](C[N@H+]2C[C@@H](C)O[C@@H](C)C2)O1 ZINC000052380806 519938771 /nfs/dbraw/zinc/93/87/71/519938771.db2.gz CRWYDKFWYDDJGA-LXTVHRRPSA-N 2 0 270.417 1.643 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@H](C[NH+]2CCC(COC)CC2)O1 ZINC000070082805 519939153 /nfs/dbraw/zinc/93/91/53/519939153.db2.gz MZCJOQXUMOYSDW-HZPDHXFCSA-N 2 0 284.444 1.892 10 0 CDAERP CC[NH2+]C[C@H](C(C)C)N1CCC(C[NH+](C)C)CC1 ZINC000052515149 519957474 /nfs/dbraw/zinc/95/74/74/519957474.db2.gz POKRWCDAHJWKOC-OAHLLOKOSA-N 2 0 255.450 1.894 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000061230465 519965224 /nfs/dbraw/zinc/96/52/24/519965224.db2.gz OFJWLAZWPBJXBO-QWHCGFSZSA-N 2 0 257.422 1.325 10 0 CDAERP CCC[NH2+]Cc1nccn1CC[NH+]1CCCCC1 ZINC000051005170 519967612 /nfs/dbraw/zinc/96/76/12/519967612.db2.gz ZDDATDQNIKEQOU-UHFFFAOYSA-N 2 0 250.390 1.869 10 0 CDAERP CC[NH2+]Cc1ccc(N2CC[NH+](CC(C)C)CC2)nn1 ZINC000055082513 519998350 /nfs/dbraw/zinc/99/83/50/519998350.db2.gz ODUVNVIBPDXKDL-UHFFFAOYSA-N 2 0 277.416 1.364 10 0 CDAERP CC[NH2+]Cc1cn(CC[N@@H+]2CC[C@@H](C)C[C@@H]2C)nn1 ZINC000052510082 520013099 /nfs/dbraw/zinc/01/30/99/520013099.db2.gz IDNIGCTWEPOBRJ-OLZOCXBDSA-N 2 0 265.405 1.508 10 0 CDAERP CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C[NH+](CCO)CCO ZINC000053870508 520026321 /nfs/dbraw/zinc/02/63/21/520026321.db2.gz OAOTWJYQLLOPLM-RRFJBIMHSA-N 2 0 272.433 1.077 10 0 CDAERP CCC[NH2+][C@H](C)C1CC[NH+](C[C@H](O)COC(C)C)CC1 ZINC000070099164 520061592 /nfs/dbraw/zinc/06/15/92/520061592.db2.gz AHEMOUUPABXALQ-ZBFHGGJFSA-N 2 0 286.460 1.872 10 0 CDAERP CCC[NH2+][C@](C)(C[C@H](C)N1CC[N@H+](C)C(C)(C)C1)C(N)=O ZINC000068646846 520113546 /nfs/dbraw/zinc/11/35/46/520113546.db2.gz KVZMQQMBZXNGQJ-XJKSGUPXSA-N 2 0 298.475 1.035 10 0 CDAERP CC[NH+](CC)CCNC(=O)c1ccc(C[NH+](C)C)nc1 ZINC000339225696 520682502 /nfs/dbraw/zinc/68/25/02/520682502.db2.gz BRSIAZZBJSFWQR-UHFFFAOYSA-N 2 0 278.400 1.215 10 0 CDAERP CC[NH+](CC)C[C@H](O)CN[C@@H](CC(C)C)C[NH+](C)C ZINC000049555619 520737880 /nfs/dbraw/zinc/73/78/80/520737880.db2.gz DIUDDXHLSLPARW-LSDHHAIUSA-N 2 0 273.465 1.255 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(C[C@@H](C)C[NH2+]C2CC2)C1 ZINC000062972384 520872683 /nfs/dbraw/zinc/87/26/83/520872683.db2.gz BRAGUMSGAFHGRD-ZFWWWQNUSA-N 2 0 253.434 1.791 10 0 CDAERP CCC[C@H]([NH2+]CC)[C@H](CC)N1CCN(CC[NH+](C)C)CC1 ZINC000061643974 521157529 /nfs/dbraw/zinc/15/75/29/521157529.db2.gz RUGOSACTMQEMPL-IRXDYDNUSA-N 2 0 298.519 1.722 10 0 CDAERP CC[NH+]1CCN(c2ccc(Cl)cc2C[NH3+])CC1 ZINC000052856553 521698250 /nfs/dbraw/zinc/69/82/50/521698250.db2.gz RWIVHYFGWNXNEO-UHFFFAOYSA-N 2 0 253.777 1.941 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1CCOc1ccccc1C[NH3+] ZINC000061642517 521838256 /nfs/dbraw/zinc/83/82/56/521838256.db2.gz YOWWDUPEVUQYOF-HNNXBMFYSA-N 2 0 277.412 1.550 10 0 CDAERP C[NH2+]CC[C@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062036367 522018155 /nfs/dbraw/zinc/01/81/55/522018155.db2.gz QBMWWBUODXTIGH-AWEZNQCLSA-N 3 0 253.434 1.792 10 0 CDAERP C[NH2+]Cc1ccc(OCCN2CC[NH+](C3CC3)CC2)cc1 ZINC000052371331 522121718 /nfs/dbraw/zinc/12/17/18/522121718.db2.gz IBZUAJGVVUVZQQ-UHFFFAOYSA-N 2 0 289.423 1.565 10 0 CDAERP C[NH2+]Cc1ccc(S(=O)(=O)N[C@@H](C)CC[NH+](C)C)cc1 ZINC000049560705 522125906 /nfs/dbraw/zinc/12/59/06/522125906.db2.gz VFJQRHVDDKOPRP-LBPRGKRZSA-N 2 0 299.440 1.025 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(Cc2cccnc2C[NH3+])CC1 ZINC000061656948 522126013 /nfs/dbraw/zinc/12/60/13/522126013.db2.gz QDPCGPKWASGHGA-CYBMUJFWSA-N 2 0 262.401 1.456 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(c2ccc(C(N)=[NH2+])cc2)CC1 ZINC000055067166 522135445 /nfs/dbraw/zinc/13/54/45/522135445.db2.gz GSGFVFSBCVEWOH-GFCCVEGCSA-N 2 0 260.385 1.891 10 0 CDAERP C[NH2+]Cc1cn(CC[N@H+](C)[C@H]2CCC[C@@H](C)C2)nn1 ZINC000052513779 522144116 /nfs/dbraw/zinc/14/41/16/522144116.db2.gz VEEGPCSTOVELGG-OCCSQVGLSA-N 2 0 265.405 1.508 10 0 CDAERP CC[C@H](C[NH2+]C1CC1)N1CC[NH+](CC(C)C)CC1 ZINC000055083010 522191144 /nfs/dbraw/zinc/19/11/44/522191144.db2.gz MNZMHYMHAIFJAO-OAHLLOKOSA-N 2 0 253.434 1.791 10 0 CDAERP C[NH2+][C@H](CN1CC[C@H]([NH+](C)C)C1)c1ccc(C)cc1 ZINC000062965251 522467685 /nfs/dbraw/zinc/46/76/85/522467685.db2.gz FWPLSGFUKMQWFF-JKSUJKDBSA-N 2 0 261.413 1.891 10 0 CDAERP COC(=O)C1CC[NH+](Cc2cc(F)ccc2C[NH3+])CC1 ZINC000069401687 522915657 /nfs/dbraw/zinc/91/56/57/522915657.db2.gz BYJBELSZBHOJQT-UHFFFAOYSA-N 2 0 280.343 1.669 10 0 CDAERP CN1CCC([N@H+](C)C[C@H]2CC[C@@H](C[NH2+]C(C)(C)C)O2)CC1 ZINC000052419922 523144542 /nfs/dbraw/zinc/14/45/42/523144542.db2.gz ZQRXAVIYYDFOLT-JKSUJKDBSA-N 2 0 297.487 1.948 10 0 CDAERP CC[C@H]1CC[C@@H]([NH3+])[C@H](N2CCC[C@@H]2C[NH+](C)C)C1 ZINC000061643483 523185643 /nfs/dbraw/zinc/18/56/43/523185643.db2.gz IJZTYPCDKPBWBJ-GBJTYRQASA-N 2 0 253.434 1.918 10 0 CDAERP COCCC[N@H+](CCC[C@@H]1CCCC[NH2+]1)CCOC ZINC000050953623 523242138 /nfs/dbraw/zinc/24/21/38/523242138.db2.gz GAPVSRJRWPECMG-HNNXBMFYSA-N 2 0 272.433 1.894 10 0 CDAERP COCCC[N@H+](CCOC)[C@H](C)CC[NH2+]C1CC1 ZINC000052543330 523258716 /nfs/dbraw/zinc/25/87/16/523258716.db2.gz BONJIJJQDSKILK-CYBMUJFWSA-N 2 0 258.406 1.502 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCN[C@@H]1CC[NH+](C2CC2)C1 ZINC000052206150 523798899 /nfs/dbraw/zinc/79/88/99/523798899.db2.gz OHTPFSHJLWBHOI-KGLIPLIRSA-N 2 0 251.418 1.687 10 0 CDAERP CC[C@H](C)[NH+]1CCN([C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000055064164 523958184 /nfs/dbraw/zinc/95/81/84/523958184.db2.gz BCJPRUWAXPDRRJ-RRFJBIMHSA-N 2 0 253.434 1.920 10 0 CDAERP CC[C@H](C)[NH+]1CCN([C@@H](C)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000055074958 523958508 /nfs/dbraw/zinc/95/85/08/523958508.db2.gz OUSHGDBBEZGCOK-JYJNAYRXSA-N 2 0 283.460 1.560 10 0 CDAERP C[NH+](C)C1CCN(C[C@@](C)([NH3+])c2ccccc2)CC1 ZINC000052883340 524040259 /nfs/dbraw/zinc/04/02/59/524040259.db2.gz KAVJFYUNILSHGP-MRXNPFEDSA-N 2 0 261.413 1.887 10 0 CDAERP C[NH+](C)CC1CCN(C(=O)C[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000055134943 524048771 /nfs/dbraw/zinc/04/87/71/524048771.db2.gz RNFQRCOUQXKMSX-CABCVRRESA-N 2 0 281.444 1.694 10 0 CDAERP C[NH+](C)CC1CC[NH+](C[C@H]2CC[C@@H](C[NH2+]C3CC3)O2)CC1 ZINC000052515468 524049966 /nfs/dbraw/zinc/04/99/66/524049966.db2.gz ROXORSRSHCITCW-DLBZAZTESA-N 3 0 295.471 1.560 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(NN)[nH+]c1 ZINC000051092085 524104422 /nfs/dbraw/zinc/10/44/22/524104422.db2.gz KCZTYHLZQARWHE-GFCCVEGCSA-N 2 0 291.399 1.362 10 0 CDAERP C[C@@H]1CCC[C@@H](C(=O)NCCCC[NH+](C)C)[C@@H]1[NH3+] ZINC000055138962 524267442 /nfs/dbraw/zinc/26/74/42/524267442.db2.gz GEHKTYRHDXQNAF-JHJVBQTASA-N 2 0 255.406 1.208 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050943214 524602851 /nfs/dbraw/zinc/60/28/51/524602851.db2.gz KTBKTKZSGWOZLC-LSDHHAIUSA-N 2 0 281.444 1.899 10 0 CDAERP C[C@H]([NH3+])c1cnc(N(C)C2CC[NH+](C)CC2)s1 ZINC000054864024 524868884 /nfs/dbraw/zinc/86/88/84/524868884.db2.gz RDHHLIUUEOLPNO-VIFPVBQESA-N 2 0 254.403 1.693 10 0 CDAERP C[C@@H]1C[N@H+](CC2(C[NH3+])CCOCC2)CC(C)(C)O1 ZINC000052183163 524934747 /nfs/dbraw/zinc/93/47/47/524934747.db2.gz DFXDFDRLDDCPSH-GFCCVEGCSA-N 2 0 256.390 1.241 10 0 CDAERP C[C@@H](Cn1ccnc1)[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000052205976 524963542 /nfs/dbraw/zinc/96/35/42/524963542.db2.gz TYTXIHOVPOBSSM-KBPBESRZSA-N 2 0 250.390 1.736 10 0 CDAERP COc1ccc([C@@H](C[NH3+])N2CC[NH+](C)CC2)cc1C ZINC000050596409 525179124 /nfs/dbraw/zinc/17/91/24/525179124.db2.gz CSAOHBDDELLUNW-CQSZACIVSA-N 2 0 263.385 1.251 10 0 CDAERP CSCC[C@@H](C[NH3+])N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062940238 525527668 /nfs/dbraw/zinc/52/76/68/525527668.db2.gz SSLOXWOPLSGJDU-QWHCGFSZSA-N 2 0 257.447 1.237 10 0 CDAERP O=C(CC[C@@H]1CCCC[NH2+]1)NCC[NH+]1CCCCC1 ZINC000050951388 526546912 /nfs/dbraw/zinc/54/69/12/526546912.db2.gz XSACDOUSJPIQKR-AWEZNQCLSA-N 2 0 267.417 1.511 10 0 CDAERP c1ncn(C[C@@H]2CCC[N@@H+](CCC[NH+]3CCCC3)C2)n1 ZINC000163464892 526616760 /nfs/dbraw/zinc/61/67/60/526616760.db2.gz PYLYEVIKWWLDDV-OAHLLOKOSA-N 2 0 277.416 1.476 10 0 CDAERP [NH3+]C[C@H]1CCCC[C@H]1[N@H+](CCO)Cc1ccccc1 ZINC000050514167 527232148 /nfs/dbraw/zinc/23/21/48/527232148.db2.gz NHSJYCCYMUITLT-HZPDHXFCSA-N 2 0 262.397 1.998 10 0 CDAERP OC1(C[NH+]2CCN(c3ccccc3F)CC2)CC[NH2+]CC1 ZINC000051016013 527507934 /nfs/dbraw/zinc/50/79/34/527507934.db2.gz LVCXTZYKCQLHND-UHFFFAOYSA-N 2 0 293.386 1.062 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)C1 ZINC000417241506 534956319 /nfs/dbraw/zinc/95/63/19/534956319.db2.gz RQNYQTHCUSYYRW-MJBXVCDLSA-N 2 0 282.432 1.016 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NCC[N@@H+](CC)C(C)C ZINC000102553403 535729503 /nfs/dbraw/zinc/72/95/03/535729503.db2.gz BPJWVSRBLBRHKQ-CQSZACIVSA-N 2 0 286.464 1.746 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](O)C1CCCCC1 ZINC000422698615 536850213 /nfs/dbraw/zinc/85/02/13/536850213.db2.gz ADBOBLPMKVEMDH-UONOGXRCSA-N 2 0 258.406 1.271 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=S)NCC[NH+](C)C ZINC000730731583 575003236 /nfs/dbraw/zinc/00/32/36/575003236.db2.gz GVTYCQQXVWZHKK-STQMWFEESA-N 2 0 286.489 1.275 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](CC(=O)N(C)OC)CC1 ZINC000774555707 575214345 /nfs/dbraw/zinc/21/43/45/575214345.db2.gz VFRIZDYFBIZQIR-UHFFFAOYSA-N 2 0 271.405 1.060 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC000763011844 576699879 /nfs/dbraw/zinc/69/98/79/576699879.db2.gz IOXGMBDRBZUEKG-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@H]([C@H]2CC[NH2+][C@H](C)C2)[NH2+]C1 ZINC000757210078 577035819 /nfs/dbraw/zinc/03/58/19/577035819.db2.gz AHKQZOUHOPGIHV-YVECIDJPSA-N 2 0 254.374 1.306 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCC2)C1 ZINC001690300913 1175431847 /nfs/dbraw/zinc/43/18/47/1175431847.db2.gz ARFQEUYCKLDKBU-HDJSIYSDSA-N 2 0 267.417 1.364 10 0 CDAERP CNC(=O)c1cccc(CC[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925511810 617416330 /nfs/dbraw/zinc/41/63/30/617416330.db2.gz UXAFQWFHRXWXQV-GJZGRUSLSA-N 2 0 287.407 1.448 10 0 CDAERP CC1(C)[C@H]([NH2+]CC2(CO)CCCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925642987 617586013 /nfs/dbraw/zinc/58/60/13/617586013.db2.gz UXMRCNXGQGDEHM-HZSPNIEDSA-N 2 0 266.429 1.905 10 0 CDAERP C[N@H+]1CC=C(C[NH2+][C@H]2CCOC23CCOCC3)CC1 ZINC000925702531 617756055 /nfs/dbraw/zinc/75/60/55/617756055.db2.gz BCSZBHLXMGWTBV-AWEZNQCLSA-N 2 0 266.385 1.176 10 0 CDAERP [NH3+]CCC[C@@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1ccccc1 ZINC000925830954 617850612 /nfs/dbraw/zinc/85/06/12/617850612.db2.gz HGHAEYNYIMQCBU-VQHPVUNQSA-N 2 0 290.407 1.860 10 0 CDAERP CC[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)[C@@H]1CCOC1 ZINC000925842558 617874675 /nfs/dbraw/zinc/87/46/75/617874675.db2.gz AIRWCBAHOHMTMT-CVEARBPZSA-N 2 0 283.460 1.467 10 0 CDAERP C[NH+](C)CCOCC[NH2+][C@H]1CCC[C@@H]1Cc1ccccn1 ZINC000926252502 617630383 /nfs/dbraw/zinc/63/03/83/617630383.db2.gz FEKSIBXWRCMKAK-WBVHZDCISA-N 2 0 291.439 1.961 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000925786799 617711419 /nfs/dbraw/zinc/71/14/19/617711419.db2.gz VCGNVMXJIMARBN-XVIXHAIJSA-N 2 0 252.402 1.635 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1COC2(CCCCC2)O1 ZINC000925700610 617745520 /nfs/dbraw/zinc/74/55/20/617745520.db2.gz VUOOSSPEQULENP-IUOOZAAYSA-N 2 0 294.439 1.992 10 0 CDAERP CC(C)O[C@H]1C[C@H]([NH2+]CCN2CCC([NH3+])CC2)C1(C)C ZINC000925811979 617754806 /nfs/dbraw/zinc/75/48/06/617754806.db2.gz LPHAFGYXZFPRKG-GJZGRUSLSA-N 2 0 283.460 1.591 10 0 CDAERP C[C@H](N[C@H]1CCC[N@@H+]2CCSC[C@H]12)[C@@H]1CCC[NH2+]1 ZINC000925824800 617803517 /nfs/dbraw/zinc/80/35/17/617803517.db2.gz CLDUPHWHZOXHEV-XDQVBPFNSA-N 2 0 269.458 1.296 10 0 CDAERP CC1(C)[C@@H]([NH2+]CCO[C@H]2CC2(F)F)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925712155 617812220 /nfs/dbraw/zinc/81/22/20/617812220.db2.gz PNXXXLJKBNUARR-RHYQMDGZSA-N 2 0 274.355 1.777 10 0 CDAERP C[C@H](CCC[NH3+])[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925713921 617818883 /nfs/dbraw/zinc/81/88/83/617818883.db2.gz ZIPYQNSHZZOKFA-BPLDGKMQSA-N 3 0 253.434 1.872 10 0 CDAERP CC1(C)CCC[C@H]1[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925855089 617893628 /nfs/dbraw/zinc/89/36/28/617893628.db2.gz OHOLSFJCKDFAOL-CHWSQXEVSA-N 2 0 280.412 1.840 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@@H]2C(=O)NCC2(C)C)CC1 ZINC000924954250 618389674 /nfs/dbraw/zinc/38/96/74/618389674.db2.gz GFVHNLXYHWYPOA-CYBMUJFWSA-N 2 0 267.417 1.223 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCOC[C@@H]1CCOC1 ZINC000925115944 619355204 /nfs/dbraw/zinc/35/52/04/619355204.db2.gz UUMVPFGZSVUBPP-LSVZVQIISA-N 2 0 282.428 1.359 10 0 CDAERP COC(=O)[C@@H]1[C@@H](C[NH2+]C[C@H]2CCCC[N@H+](C)C2)C1(F)F ZINC000895392403 619627738 /nfs/dbraw/zinc/62/77/38/619627738.db2.gz PHTSVLVQSHVNOU-UTUOFQBUSA-N 2 0 290.354 1.362 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000925241231 620610097 /nfs/dbraw/zinc/61/00/97/620610097.db2.gz NZMKSPYLRGHLAG-BRWVUGGUSA-N 2 0 297.487 1.950 10 0 CDAERP COc1ccc(Cl)cc1C[NH2+]CCOCCC[NH3+] ZINC000863483802 620861815 /nfs/dbraw/zinc/86/18/15/620861815.db2.gz DKPJVOHYCXXBCZ-UHFFFAOYSA-N 2 0 272.776 1.804 10 0 CDAERP CC[NH+]1CCC([NH2+]CC[C@H](N(C)C)C(F)(F)F)CC1 ZINC000926966334 621636037 /nfs/dbraw/zinc/63/60/37/621636037.db2.gz ZNMMKEVLHHZKLU-LBPRGKRZSA-N 2 0 281.366 1.943 10 0 CDAERP C[C@H](NC(=[NH2+])NC[C@@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000899266357 622130727 /nfs/dbraw/zinc/13/07/27/622130727.db2.gz SHUQRNHUTRGDPD-QWRGUYRKSA-N 2 0 250.390 1.383 10 0 CDAERP CC[NH+](CC)CCCCNC(=O)C12CC[NH+](CC1)C2 ZINC000900687929 623374205 /nfs/dbraw/zinc/37/42/05/623374205.db2.gz ACEIAHHQYQWWEW-UHFFFAOYSA-N 2 0 267.417 1.320 10 0 CDAERP C[NH+]1CCN(CCC[NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)CC1 ZINC000902730721 625279495 /nfs/dbraw/zinc/27/94/95/625279495.db2.gz SIZYZEKBFMLPOJ-SMLCLMEVSA-N 2 0 293.455 1.027 10 0 CDAERP CC[C@@H](CN1CCOCC1)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000903339642 625971276 /nfs/dbraw/zinc/97/12/76/625971276.db2.gz MRZYDLIISGDVKL-LSDHHAIUSA-N 2 0 283.460 1.560 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000903430286 625989932 /nfs/dbraw/zinc/98/99/32/625989932.db2.gz RLWXSPALJLVKQV-HIFRSBDPSA-N 2 0 279.428 1.176 10 0 CDAERP Cc1noc(C2CC[NH+](C[C@@H]3CC[C@H]([NH3+])C3)CC2)n1 ZINC000903432493 625990405 /nfs/dbraw/zinc/99/04/05/625990405.db2.gz CXOFWWNEWUCFDX-YPMHNXCESA-N 2 0 264.373 1.685 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC(OC[C@H]3CCCO3)CC2)C1 ZINC000903433240 625990763 /nfs/dbraw/zinc/99/07/63/625990763.db2.gz WOPBPCLFLLURCO-SQWLQELKSA-N 2 0 282.428 1.774 10 0 CDAERP Cc1cnc(OC2CC[NH+](C[C@@H]3C[NH2+]C[C@H]3C)CC2)nc1 ZINC000903463642 625996523 /nfs/dbraw/zinc/99/65/23/625996523.db2.gz HHZCPJYALICBLD-KGLIPLIRSA-N 2 0 290.411 1.484 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)C1 ZINC000903444654 625998564 /nfs/dbraw/zinc/99/85/64/625998564.db2.gz UDKLWAMKLVFTEG-MELADBBJSA-N 2 0 289.427 1.531 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@@H](C)c1ccccn1)C2 ZINC000903492424 626011121 /nfs/dbraw/zinc/01/11/21/626011121.db2.gz CNRABEVJIRMROC-JFILPPLUSA-N 2 0 289.379 1.355 10 0 CDAERP CCc1cc(=O)[nH]c(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)n1 ZINC000903497233 626012067 /nfs/dbraw/zinc/01/20/67/626012067.db2.gz QRIBCWUFRZCLFX-GHMZBOCLSA-N 2 0 264.373 1.161 10 0 CDAERP C[NH2+]C[C@@H]1CCCCN1CCCC1CC[NH2+]CC1 ZINC000903529295 626017764 /nfs/dbraw/zinc/01/77/64/626017764.db2.gz UVKBRIKKJSRBNE-HNNXBMFYSA-N 2 0 253.434 1.840 10 0 CDAERP C[C@@]1([C@H]2CCC[N@H+](CCCCCC[NH3+])C2)COC(=O)N1 ZINC000903561758 626019852 /nfs/dbraw/zinc/01/98/52/626019852.db2.gz MFWUXDJPLGDVHX-ZFWWWQNUSA-N 2 0 283.416 1.716 10 0 CDAERP C(CN1CC[C@@H]2[NH2+]CC[C@H]2C1)OC1CCSCC1 ZINC000903750359 626072490 /nfs/dbraw/zinc/07/24/90/626072490.db2.gz YRWUFXSYFMUIQM-JSGCOSHPSA-N 2 0 270.442 1.582 10 0 CDAERP C(C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)OC1CCSCC1 ZINC000903743412 626080557 /nfs/dbraw/zinc/08/05/57/626080557.db2.gz JXYPANFQVGDNHS-CQSZACIVSA-N 2 0 270.442 1.584 10 0 CDAERP c1cc(CCC[N@@H+]2CC[NH2+]CCC23CCOCC3)ccn1 ZINC000903818201 626112265 /nfs/dbraw/zinc/11/22/65/626112265.db2.gz AYAPVSLFQSMYMQ-UHFFFAOYSA-N 2 0 289.423 1.859 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCC(C)(C)C2)cnn1C ZINC000903891769 626124706 /nfs/dbraw/zinc/12/47/06/626124706.db2.gz CRLUJOCSUHPTAB-ZDUSSCGKSA-N 2 0 264.417 1.578 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)[C@@H]2CCSC2)cnn1C ZINC000903880236 626130525 /nfs/dbraw/zinc/13/05/25/626130525.db2.gz OUGQPXUNLPDDAY-GXTWGEPZSA-N 2 0 282.457 1.283 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@@H+](C)CC(C)C)cnn1C ZINC000903880792 626130851 /nfs/dbraw/zinc/13/08/51/626130851.db2.gz VTVZMIYWTWOYIY-CYBMUJFWSA-N 2 0 252.406 1.434 10 0 CDAERP CC[C@@]1(C)CC[N@H+](C[C@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903908932 626142982 /nfs/dbraw/zinc/14/29/82/626142982.db2.gz BGAKVACTGXUDPB-HOCLYGCPSA-N 2 0 278.444 1.968 10 0 CDAERP C[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H](C)N1CCOCC1 ZINC000903922859 626147779 /nfs/dbraw/zinc/14/77/79/626147779.db2.gz GGHVWZLBTWFWSH-YZDRTPDPSA-N 2 0 281.444 1.216 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@H+](C)C2CC(C)(C)C2)cnn1C ZINC000903929180 626149569 /nfs/dbraw/zinc/14/95/69/626149569.db2.gz BMIPRMBRKBLSMT-CYBMUJFWSA-N 2 0 278.444 1.966 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CC[C@]3(CC3(F)F)C2)cnn1C ZINC000903931433 626151432 /nfs/dbraw/zinc/15/14/32/626151432.db2.gz DPMCEISGAUNSDM-JSGCOSHPSA-N 2 0 298.381 1.577 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)CC2=CCSC2)cnn1C ZINC000903932568 626152333 /nfs/dbraw/zinc/15/23/33/626152333.db2.gz DVQXHWYVMGBFLQ-AWEZNQCLSA-N 2 0 294.468 1.451 10 0 CDAERP CC(C)(C)[NH2+]CCN1CCc2sc(C[NH3+])nc2C1 ZINC000903944813 626162973 /nfs/dbraw/zinc/16/29/73/626162973.db2.gz NPXPSFONGLISDB-UHFFFAOYSA-N 2 0 268.430 1.348 10 0 CDAERP COc1cc(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cc2c1OCO2 ZINC000903974894 626169014 /nfs/dbraw/zinc/16/90/14/626169014.db2.gz UXZXULKSUCYXBI-DGCLKSJQSA-N 2 0 292.379 1.759 10 0 CDAERP COCCN(C)c1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cn1 ZINC000903967764 626172284 /nfs/dbraw/zinc/17/22/84/626172284.db2.gz NPFYIURMEGDYEL-HIFRSBDPSA-N 2 0 292.427 1.109 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000903966820 626172394 /nfs/dbraw/zinc/17/23/94/626172394.db2.gz CNRWSUNWIJENAZ-RXGFPQBGSA-N 2 0 272.483 1.811 10 0 CDAERP c1ccc2c(c1)ccnc2CN1CC[NH2+]CC[NH2+]CC1 ZINC000904398184 626287535 /nfs/dbraw/zinc/28/75/35/626287535.db2.gz MOILTRWDUMFYQB-UHFFFAOYSA-N 2 0 270.380 1.230 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])NC[C@H]1CCCS1 ZINC000905042343 626381810 /nfs/dbraw/zinc/38/18/10/626381810.db2.gz OKKGXCBULPWGLL-QWHCGFSZSA-N 2 0 284.473 1.870 10 0 CDAERP C[C@]1([NH3+])CCCC[C@H]1c1nc(CC2CC[NH2+]CC2)no1 ZINC000905314329 626744182 /nfs/dbraw/zinc/74/41/82/626744182.db2.gz NVDKTCOYBHNKHG-WFASDCNBSA-N 2 0 278.400 1.987 10 0 CDAERP C[C@@]1([NH3+])CCCC[C@@H]1c1nc(CC2CC[NH2+]CC2)no1 ZINC000905313795 626744347 /nfs/dbraw/zinc/74/43/47/626744347.db2.gz NVDKTCOYBHNKHG-IUODEOHRSA-N 2 0 278.400 1.987 10 0 CDAERP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC000908287011 628113852 /nfs/dbraw/zinc/11/38/52/628113852.db2.gz DROCXCYNBRNWFA-RBSFLKMASA-N 2 0 281.444 1.848 10 0 CDAERP O=C(NCc1ccc2c[nH+]cn2c1)C12CC[NH+](CC1)C2 ZINC000909879269 628726032 /nfs/dbraw/zinc/72/60/32/628726032.db2.gz RQFUVONMHJSVRB-UHFFFAOYSA-N 2 0 270.336 1.046 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH+](C)C)CC1 ZINC000913399267 630467036 /nfs/dbraw/zinc/46/70/36/630467036.db2.gz YQTYWOFXEJNXDC-CQSZACIVSA-N 2 0 281.444 1.804 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CC[NH+](C)[C@@H]1C ZINC000917899716 632295238 /nfs/dbraw/zinc/29/52/38/632295238.db2.gz XYXMFLTWHJPEET-MCIONIFRSA-N 2 0 282.432 1.253 10 0 CDAERP CC[N@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001690988345 1158516390 /nfs/dbraw/zinc/51/63/90/1158516390.db2.gz GZBRPGGKEWCNQN-CHWSQXEVSA-N 2 0 255.406 1.175 10 0 CDAERP CCCCC[N@@H+]1CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001670656717 1158676187 /nfs/dbraw/zinc/67/61/87/1158676187.db2.gz NEYQJMHBJRBFQL-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CCCF ZINC001266994417 1159073585 /nfs/dbraw/zinc/07/35/85/1159073585.db2.gz NDBSFHFCEGDFCN-QWHCGFSZSA-N 2 0 273.396 1.315 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001269084486 1160029119 /nfs/dbraw/zinc/02/91/19/1160029119.db2.gz TWZBWMQSHVJYGK-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC001618608659 1165637500 /nfs/dbraw/zinc/63/75/00/1165637500.db2.gz QWOWLVUBSXKHER-CHWSQXEVSA-N 2 0 255.406 1.032 10 0 CDAERP C[NH+](C)CCCCC(=O)NCCCCc1cc[nH+]c(N)c1 ZINC001640996985 1167068662 /nfs/dbraw/zinc/06/86/62/1167068662.db2.gz RGUGUAXEYBGTSK-UHFFFAOYSA-N 2 0 292.427 1.835 10 0 CDAERP O=C1[C@H]([N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)CCN1C1CC1 ZINC001645954170 1167587042 /nfs/dbraw/zinc/58/70/42/1167587042.db2.gz WFFOTXWATYMZFG-GDBMZVCRSA-N 2 0 291.439 1.461 10 0 CDAERP CCCCC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001566776900 1168416515 /nfs/dbraw/zinc/41/65/15/1168416515.db2.gz NRGDIIUOJODBPE-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)C[NH2+]CC(=O)N1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC001647256897 1168495183 /nfs/dbraw/zinc/49/51/83/1168495183.db2.gz XAQILSQLZCFYRJ-RBSFLKMASA-N 2 0 297.443 1.119 10 0 CDAERP O=C(N1CCC[C@@H]1C[NH2+]C/C=C/Cl)C12CC[NH+](CC1)C2 ZINC001568149982 1169148821 /nfs/dbraw/zinc/14/88/21/1169148821.db2.gz KAEQYZPLXAFVIL-ZABGRMTBSA-N 2 0 297.830 1.415 10 0 CDAERP CCOCC[NH+]1CCC(C)(NC(=O)C[NH+]2CCCC2)CC1 ZINC001569578944 1169929228 /nfs/dbraw/zinc/92/92/28/1169929228.db2.gz YFILTAYOYWCNAW-UHFFFAOYSA-N 2 0 297.443 1.089 10 0 CDAERP CC(C)COCC[NH2+][C@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001571485671 1170450897 /nfs/dbraw/zinc/45/08/97/1170450897.db2.gz UQOHIABAMCYVEL-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001571485728 1170450910 /nfs/dbraw/zinc/45/09/10/1170450910.db2.gz VIKKDNHHHZTUPV-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001661832854 1172451919 /nfs/dbraw/zinc/45/19/19/1172451919.db2.gz QDZICCXYRSCWSP-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)CCC[NH2+][C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001662325930 1172530471 /nfs/dbraw/zinc/53/04/71/1172530471.db2.gz WIJNPQHQHIVBSM-AWEZNQCLSA-N 2 0 283.460 1.859 10 0 CDAERP COCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001662983600 1172623953 /nfs/dbraw/zinc/62/39/53/1172623953.db2.gz FTLLXFCENKTFRB-CABCVRRESA-N 2 0 299.459 1.380 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N1CCC([NH+]2CCC2)CC1 ZINC001585205149 1172884252 /nfs/dbraw/zinc/88/42/52/1172884252.db2.gz KSKOKXYKJYUCPE-ZDUSSCGKSA-N 2 0 267.417 1.271 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@@H]1CC[C@H]2C[C@H](C)C[N@@H+]2C1 ZINC001586897262 1172964377 /nfs/dbraw/zinc/96/43/77/1172964377.db2.gz AIGWEHJDBYAQGB-XHSDSOJGSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001666482466 1173138752 /nfs/dbraw/zinc/13/87/52/1173138752.db2.gz PWNRPQDEOMIKSE-HUUCEWRRSA-N 2 0 279.428 1.485 10 0 CDAERP CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001666902002 1173205380 /nfs/dbraw/zinc/20/53/80/1173205380.db2.gz AETFOITVEDNUKE-CHWSQXEVSA-N 2 0 255.406 1.316 10 0 CDAERP CC(C)C[C@@H](C[NH2+]CCF)NC(=O)C12CCC[NH+]1CCC2 ZINC001667097425 1173235199 /nfs/dbraw/zinc/23/51/99/1173235199.db2.gz NUXQZJIIJYYFML-AWEZNQCLSA-N 2 0 299.434 1.705 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CCCF ZINC001668822324 1173469959 /nfs/dbraw/zinc/46/99/59/1173469959.db2.gz WTNXCUDLZAKCPX-XGACYXMMSA-N 2 0 285.407 1.481 10 0 CDAERP CC(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001674775467 1174008630 /nfs/dbraw/zinc/00/86/30/1174008630.db2.gz VZGNYAUTZAINSZ-CHWSQXEVSA-N 2 0 255.406 1.221 10 0 CDAERP CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001690732700 1175558300 /nfs/dbraw/zinc/55/83/00/1175558300.db2.gz NWCSMTCLEJQOBR-KKUMJFAQSA-N 2 0 281.444 1.565 10 0 CDAERP CCCCC[NH2+][C@H](CC)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001698624712 1175877283 /nfs/dbraw/zinc/87/72/83/1175877283.db2.gz FNVYIIXCBHZNOH-UONOGXRCSA-N 2 0 269.433 1.613 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@](C)(C[NH2+]C/C=C\Cl)C1CC1 ZINC001698648923 1175886631 /nfs/dbraw/zinc/88/66/31/1175886631.db2.gz LRJNJFCHAYIYED-RACWNLLASA-N 2 0 299.846 1.708 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCC(CC[NH2+]CCF)CC2)C1 ZINC001698701902 1175897561 /nfs/dbraw/zinc/89/75/61/1175897561.db2.gz VNDSDQAYWMSVTR-HNNXBMFYSA-N 2 0 299.434 1.516 10 0 CDAERP CC(C)[NH2+]C[C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001698749828 1175917442 /nfs/dbraw/zinc/91/74/42/1175917442.db2.gz ARYUPPCOFKPPEF-KBPBESRZSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C(C)C ZINC001698977332 1176003512 /nfs/dbraw/zinc/00/35/12/1176003512.db2.gz PAYMMNWFWMPJJS-ZDUSSCGKSA-N 2 0 255.406 1.221 10 0 CDAERP CCCC[NH2+]CC[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001699145946 1176111862 /nfs/dbraw/zinc/11/18/62/1176111862.db2.gz GBMXJCUOOMOTBU-KGLIPLIRSA-N 2 0 269.433 1.613 10 0 CDAERP CCCC[NH2+]CC[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001699166462 1176120984 /nfs/dbraw/zinc/12/09/84/1176120984.db2.gz UTSSISKDJPCPDU-CYBMUJFWSA-N 2 0 255.406 1.367 10 0 CDAERP CCC[NH2+]CCN(CC)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001699204733 1176139388 /nfs/dbraw/zinc/13/93/88/1176139388.db2.gz URXBFGMCOFEEGE-CYBMUJFWSA-N 2 0 255.406 1.176 10 0 CDAERP CC[NH2+]C/C=C\CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001699270006 1176189412 /nfs/dbraw/zinc/18/94/12/1176189412.db2.gz CNXNQWPULHOTPM-ZFDPJTLLSA-N 2 0 253.390 1.143 10 0 CDAERP C[C@H](C[NH2+]Cc1ccc(Cl)nc1)NC(=O)CC[NH+](C)C ZINC001699376828 1176335856 /nfs/dbraw/zinc/33/58/56/1176335856.db2.gz DALPUXGDNULQTH-LLVKDONJSA-N 2 0 298.818 1.281 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]CC[C@H](C)F)[NH+](C)C ZINC001699378941 1176336510 /nfs/dbraw/zinc/33/65/10/1176336510.db2.gz TUQJVRXWTHGLFY-YNEHKIRRSA-N 2 0 275.412 1.415 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001699398390 1176361391 /nfs/dbraw/zinc/36/13/91/1176361391.db2.gz RWUFEFVMHVYRNG-QWHCGFSZSA-N 2 0 255.406 1.221 10 0 CDAERP CC[N@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001699474182 1176434741 /nfs/dbraw/zinc/43/47/41/1176434741.db2.gz KHFFHPWBQPOOPL-UONOGXRCSA-N 2 0 269.433 1.563 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@@H](NC(=O)Cc1c[nH]cn1)C1CC1 ZINC001699588023 1176488354 /nfs/dbraw/zinc/48/83/54/1176488354.db2.gz IMMPEUAHGSDTKS-GXFFZTMASA-N 2 0 282.363 1.185 10 0 CDAERP CC(C)CC[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001699596335 1176493084 /nfs/dbraw/zinc/49/30/84/1176493084.db2.gz GKGQUNVVMBXYFI-HNNXBMFYSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CCCF)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001699740924 1176598510 /nfs/dbraw/zinc/59/85/10/1176598510.db2.gz SJALRFHDJLJVFX-KGLIPLIRSA-N 2 0 297.418 1.411 10 0 CDAERP CC(C)[NH2+]CC[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001700086922 1176743178 /nfs/dbraw/zinc/74/31/78/1176743178.db2.gz FIKWPRYKKWOGCD-AWEZNQCLSA-N 2 0 267.417 1.319 10 0 CDAERP CCCC[NH2+]CC1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001700381187 1176886815 /nfs/dbraw/zinc/88/68/15/1176886815.db2.gz RBQMFAMZNDSBJE-UHFFFAOYSA-N 2 0 279.428 1.367 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CCCOC ZINC001700486908 1176974966 /nfs/dbraw/zinc/97/49/66/1176974966.db2.gz HHSOHHLVOADDGI-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP C[NH+](C)C1(C(=O)NCC2=CC[N@H+](CC3CC3)CC2)CCC1 ZINC001701050268 1177258919 /nfs/dbraw/zinc/25/89/19/1177258919.db2.gz ICLQTPIMYSESNQ-UHFFFAOYSA-N 2 0 291.439 1.629 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001707078081 1177941220 /nfs/dbraw/zinc/94/12/20/1177941220.db2.gz SKRBBTDXCLJGMV-GASCZTMLSA-N 2 0 293.455 1.757 10 0 CDAERP CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001707137148 1177956232 /nfs/dbraw/zinc/95/62/32/1177956232.db2.gz DXLZSTCAWHLDGG-GDBMZVCRSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](C(=O)NCCC[N@H+](C)Cc1conc1C)[NH+](C)C ZINC001707416919 1178033663 /nfs/dbraw/zinc/03/36/63/1178033663.db2.gz GZVJIJUXCSCIMO-CQSZACIVSA-N 2 0 296.415 1.261 10 0 CDAERP C[N@H+](CCCNC(=O)CC[NH+]1CCCCC1)CC1CC1 ZINC001712991303 1178289727 /nfs/dbraw/zinc/28/97/27/1178289727.db2.gz OWRKCILRQJUEKI-UHFFFAOYSA-N 2 0 281.444 1.711 10 0 CDAERP CCCC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001713126045 1178383302 /nfs/dbraw/zinc/38/33/02/1178383302.db2.gz ZGUOOTCKERRTSD-UONOGXRCSA-N 2 0 267.417 1.223 10 0 CDAERP COCCC[N@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001713133936 1178388271 /nfs/dbraw/zinc/38/82/71/1178388271.db2.gz CZONFZNFERHDRM-HNNXBMFYSA-N 2 0 299.459 1.145 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CCCF)C2)CCC1 ZINC001713375450 1178528128 /nfs/dbraw/zinc/52/81/28/1178528128.db2.gz QGGAKRDONVEXTM-ZIAGYGMSSA-N 2 0 299.434 1.847 10 0 CDAERP CCC[NH2+][C@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001713410628 1178544202 /nfs/dbraw/zinc/54/42/02/1178544202.db2.gz MGBJSWNTWURHRE-CHWSQXEVSA-N 2 0 255.406 1.365 10 0 CDAERP C[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)CC1=CCCCC1 ZINC001713473246 1178588190 /nfs/dbraw/zinc/58/81/90/1178588190.db2.gz RTYMVCDPUDNRJO-UHFFFAOYSA-N 2 0 291.439 1.631 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CCC(C)C ZINC001713497709 1178609052 /nfs/dbraw/zinc/60/90/52/1178609052.db2.gz WMFKHGXTGRSDFG-CQSZACIVSA-N 2 0 269.433 1.422 10 0 CDAERP CCCCC[NH2+]CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001713592565 1178673803 /nfs/dbraw/zinc/67/38/03/1178673803.db2.gz ZDAZWTDOEQLBNL-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP CO[C@H](C)C[NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001713592258 1178674063 /nfs/dbraw/zinc/67/40/63/1178674063.db2.gz OLAPPNOZZDBCNH-CQSZACIVSA-N 2 0 299.459 1.334 10 0 CDAERP CN(CC[NH2+]CCC(C)(C)C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001713605025 1178677188 /nfs/dbraw/zinc/67/71/88/1178677188.db2.gz BNGZXPCOSGFVIR-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP CN(CC[NH2+]CCCF)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001713644462 1178693080 /nfs/dbraw/zinc/69/30/80/1178693080.db2.gz DEFNPCOBKHESSD-UHFFFAOYSA-N 2 0 295.402 1.769 10 0 CDAERP CC(C)C[NH2+]CCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001713666427 1178702405 /nfs/dbraw/zinc/70/24/05/1178702405.db2.gz QNCQNKKNKKEIMG-OKILXGFUSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCCF)C1 ZINC001713953824 1178886216 /nfs/dbraw/zinc/88/62/16/1178886216.db2.gz QBEMTCXXFSEUFD-RBSFLKMASA-N 2 0 299.434 1.703 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001714016156 1178928587 /nfs/dbraw/zinc/92/85/87/1178928587.db2.gz CRVVGYVYZWAIET-SOUVJXGZSA-N 2 0 279.428 1.531 10 0 CDAERP COCCC[N@@H+]1CCC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001714049939 1178946953 /nfs/dbraw/zinc/94/69/53/1178946953.db2.gz ZSKFVJQGSHPSFY-HNNXBMFYSA-N 2 0 299.459 1.191 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N[C@@](C)(C[NH2+]C/C=C/Cl)C2CC2)C1 ZINC001714175834 1179003730 /nfs/dbraw/zinc/00/37/30/1179003730.db2.gz AIKLIQAFAPMFOG-RRNHBABESA-N 2 0 299.846 1.565 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CCC1=CCCCC1 ZINC001714270607 1179057329 /nfs/dbraw/zinc/05/73/29/1179057329.db2.gz RGMDTODHIRFBBR-CQSZACIVSA-N 2 0 281.444 1.923 10 0 CDAERP CC(C)(C(=O)N1CCC[C@@H]1C[NH2+]CCF)[NH+]1CCCCC1 ZINC001714334715 1179090102 /nfs/dbraw/zinc/09/01/02/1179090102.db2.gz FWOHITMRVDXHBX-CQSZACIVSA-N 2 0 299.434 1.801 10 0 CDAERP CCC[NH2+]C[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001714372815 1179109465 /nfs/dbraw/zinc/10/94/65/1179109465.db2.gz PQSIQAWQONJTBK-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP O=C(CC[NH+]1CCCCC1)N1CC[C@H](C[NH2+]CCF)C1 ZINC001714384750 1179116247 /nfs/dbraw/zinc/11/62/47/1179116247.db2.gz HPDGJWGDJIVSJW-CQSZACIVSA-N 2 0 285.407 1.270 10 0 CDAERP CC(C)=CC[NH+](C)CCNC(=O)C[N@@H+](C)C(C)C ZINC001714572659 1179229960 /nfs/dbraw/zinc/22/99/60/1179229960.db2.gz QFLPGIMVFPIQFA-UHFFFAOYSA-N 2 0 255.406 1.341 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)CC[NH2+]Cc1ccns1 ZINC001714782861 1179397325 /nfs/dbraw/zinc/39/73/25/1179397325.db2.gz CECHCQYDODUQOJ-UHFFFAOYSA-N 2 0 284.429 1.033 10 0 CDAERP Cc1ccncc1C[NH2+]CCN(C)C(=O)C[NH+]1CCCC1 ZINC001714795434 1179401438 /nfs/dbraw/zinc/40/14/38/1179401438.db2.gz NWWHCDFSJHHIBJ-UHFFFAOYSA-N 2 0 290.411 1.034 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001714877923 1179433694 /nfs/dbraw/zinc/43/36/94/1179433694.db2.gz RWUMDWAVDLLENP-ZDUSSCGKSA-N 2 0 255.406 1.175 10 0 CDAERP CCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001715255132 1179598725 /nfs/dbraw/zinc/59/87/25/1179598725.db2.gz RHLDFXGNUBUBAW-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H](C[NH2+]C/C=C/Cl)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001715330283 1179627989 /nfs/dbraw/zinc/62/79/89/1179627989.db2.gz LPIPFBJHTVVVLX-CIYRCRHJSA-N 2 0 299.846 1.517 10 0 CDAERP CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001715333191 1179630847 /nfs/dbraw/zinc/63/08/47/1179630847.db2.gz SWIMHRFRUQXUHI-RWMBFGLXSA-N 2 0 255.406 1.173 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+](C)C ZINC001715358037 1179640755 /nfs/dbraw/zinc/64/07/55/1179640755.db2.gz UIQQBUUPXSJBAV-CYBMUJFWSA-N 2 0 255.406 1.341 10 0 CDAERP CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]C/C=C\Cl)[NH+](C)C ZINC001715362373 1179642809 /nfs/dbraw/zinc/64/28/09/1179642809.db2.gz LQTWECYKZXAPOR-WZIXFXTNSA-N 2 0 275.824 1.516 10 0 CDAERP CC(C)C[C@H](C[NH2+]CCF)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001715391962 1179654798 /nfs/dbraw/zinc/65/47/98/1179654798.db2.gz KZVJCIXRQSUWSI-UONOGXRCSA-N 2 0 287.423 1.418 10 0 CDAERP CN(CC[N@H+](C)CC1CCC1)C(=O)CC[NH+](C)C ZINC001715940710 1179930501 /nfs/dbraw/zinc/93/05/01/1179930501.db2.gz KQFSFMUGNMXINE-UHFFFAOYSA-N 2 0 255.406 1.128 10 0 CDAERP C[C@H](C[NH2+]CCF)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001715951984 1179938203 /nfs/dbraw/zinc/93/82/03/1179938203.db2.gz BYBFJZGWLXIAMZ-OLZOCXBDSA-N 2 0 273.396 1.315 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001715977012 1179959060 /nfs/dbraw/zinc/95/90/60/1179959060.db2.gz PSQPGCVMLUBZTE-LSDHHAIUSA-N 2 0 283.460 2.000 10 0 CDAERP C[C@@H](C[NH2+]C/C=C\Cl)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001715991256 1179969773 /nfs/dbraw/zinc/96/97/73/1179969773.db2.gz LDNBWJPAWAVLSJ-DCRFLDTMSA-N 2 0 287.835 1.564 10 0 CDAERP CCCCCC[NH2+]C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001716000572 1179975307 /nfs/dbraw/zinc/97/53/07/1179975307.db2.gz JXCBEUBWFAFWQN-AWEZNQCLSA-N 2 0 281.444 1.757 10 0 CDAERP CC/C=C\CC[NH2+]CC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001716187904 1180088740 /nfs/dbraw/zinc/08/87/40/1180088740.db2.gz SYTLLOIAUMIXBM-FOSCPCJNSA-N 2 0 293.455 1.923 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C(C)C ZINC001716508379 1180262051 /nfs/dbraw/zinc/26/20/51/1180262051.db2.gz LBQHSKDUOAAMHG-CQSZACIVSA-N 2 0 269.433 1.729 10 0 CDAERP CC(C)[NH2+]CCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001716552487 1180282087 /nfs/dbraw/zinc/28/20/87/1180282087.db2.gz KXYKERHUJXCYTI-UHFFFAOYSA-N 2 0 267.417 1.461 10 0 CDAERP O=C(NC1CC(C[NH2+]CCCF)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001717385491 1180641451 /nfs/dbraw/zinc/64/14/51/1180641451.db2.gz KBXXLRYWJVHIEF-PESDSKBTSA-N 2 0 297.418 1.172 10 0 CDAERP C[C@@H](F)CC[N@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001717486915 1180703492 /nfs/dbraw/zinc/70/34/92/1180703492.db2.gz MHVAIKLIYSJVKP-NEPJUHHUSA-N 2 0 261.385 1.123 10 0 CDAERP CC(C)C[NH2+][C@H](C)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001717749470 1180827286 /nfs/dbraw/zinc/82/72/86/1180827286.db2.gz CSFKUHHTNNDJGY-ZIAGYGMSSA-N 2 0 269.433 1.421 10 0 CDAERP CCC[N@H+]1CC=C(CNC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001718028877 1180973667 /nfs/dbraw/zinc/97/36/67/1180973667.db2.gz VOEJXDCIRMVHQS-CQSZACIVSA-N 2 0 279.428 1.487 10 0 CDAERP CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1CC ZINC001723388241 1181546108 /nfs/dbraw/zinc/54/61/08/1181546108.db2.gz CEPLFYWQQLLBAD-KBPBESRZSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)OCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001723890097 1181620556 /nfs/dbraw/zinc/62/05/56/1181620556.db2.gz YFXMRSRFFICFDV-GJZGRUSLSA-N 2 0 297.443 1.086 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CCC1CC1 ZINC001725129508 1181876111 /nfs/dbraw/zinc/87/61/11/1181876111.db2.gz PMXSYFGRFBGYKN-QWHCGFSZSA-N 2 0 269.433 1.610 10 0 CDAERP CC/C=C/CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001725355929 1181970913 /nfs/dbraw/zinc/97/09/13/1181970913.db2.gz JKIMTWWLRWAQTL-VCMBOFEFSA-N 2 0 293.455 1.921 10 0 CDAERP CN(C(=O)C1(C[NH+](C)C)CC1)[C@@H](C[NH2+]CCF)C1CC1 ZINC001725467171 1182010392 /nfs/dbraw/zinc/01/03/92/1182010392.db2.gz MQKRYPVWCCQYPE-ZDUSSCGKSA-N 2 0 285.407 1.124 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H](C[NH2+]CCF)C2CC2)C1 ZINC001725465947 1182010459 /nfs/dbraw/zinc/01/04/59/1182010459.db2.gz RTAADNXHPNZDAI-OCCSQVGLSA-N 2 0 285.407 1.124 10 0 CDAERP CCC[NH2+]C[C@H](NC(=O)C[N@H+](C)CCC)C(C)(C)C ZINC001725751989 1182121192 /nfs/dbraw/zinc/12/11/92/1182121192.db2.gz JRCZHLWNQWKMDA-ZDUSSCGKSA-N 2 0 271.449 1.859 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)CCC1CC1 ZINC001731321746 1182318672 /nfs/dbraw/zinc/31/86/72/1182318672.db2.gz JFPDJKURXLUBSG-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)=CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001731410935 1182369604 /nfs/dbraw/zinc/36/96/04/1182369604.db2.gz KYLZFSAHJMMJHW-LSDHHAIUSA-N 2 0 279.428 1.389 10 0 CDAERP CN(CC[NH2+]C/C=C\Cl)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001731910420 1182675068 /nfs/dbraw/zinc/67/50/68/1182675068.db2.gz HWJKHWVOYGNEJL-LWJUFGILSA-N 2 0 285.819 1.129 10 0 CDAERP C[C@@H](C[NH2+]C/C=C/Cl)N(C)C(=O)CC[NH+](C)C ZINC001732438750 1182966623 /nfs/dbraw/zinc/96/66/23/1182966623.db2.gz XNDRJFWBOGFBHZ-ZRQQLDRUSA-N 2 0 261.797 1.127 10 0 CDAERP CC(C)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001732753773 1183109897 /nfs/dbraw/zinc/10/98/97/1183109897.db2.gz OGSDTMPCBOTVTF-STQMWFEESA-N 2 0 255.406 1.079 10 0 CDAERP CCCC[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001732773720 1183121021 /nfs/dbraw/zinc/12/10/21/1183121021.db2.gz DOLODHFQRSGTQP-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP CCN(CC[NH2+]CCCF)C(=O)C1([NH+](C)C)CCC1 ZINC001732779266 1183122584 /nfs/dbraw/zinc/12/25/84/1183122584.db2.gz LWCKQDPMFYNNES-UHFFFAOYSA-N 2 0 273.396 1.268 10 0 CDAERP CCN(CC[NH2+]CCCF)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001732800721 1183130525 /nfs/dbraw/zinc/13/05/25/1183130525.db2.gz BRDISRPTBZUMHE-HUUCEWRRSA-N 2 0 299.434 1.801 10 0 CDAERP CC[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001732850098 1183158421 /nfs/dbraw/zinc/15/84/21/1183158421.db2.gz PLZRLYHUHNUDPE-LFAOLKIESA-N 2 0 293.455 1.923 10 0 CDAERP CC[N@H+](C)C[C@@H](C)NC(=O)CC[C@H]1CCC[NH+]1C ZINC001733045801 1183261393 /nfs/dbraw/zinc/26/13/93/1183261393.db2.gz RVIQFOWITXITIW-CHWSQXEVSA-N 2 0 255.406 1.317 10 0 CDAERP CN(CCC[NH2+]CCC(C)(C)C)C(=O)C12CC[NH+](CC1)C2 ZINC001733142971 1183306380 /nfs/dbraw/zinc/30/63/80/1183306380.db2.gz MHYIMZYYDAEBAH-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CCC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001733180361 1183319906 /nfs/dbraw/zinc/31/99/06/1183319906.db2.gz HGPTYGBXXAKSLJ-QEJZJMRPSA-N 2 0 281.444 1.611 10 0 CDAERP CCOCC[NH2+]C1(CC)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001733805236 1183537230 /nfs/dbraw/zinc/53/72/30/1183537230.db2.gz ONXFZSIIDFBULY-UHFFFAOYSA-N 2 0 299.459 1.335 10 0 CDAERP C[C@H]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1CCF ZINC001733903149 1183563472 /nfs/dbraw/zinc/56/34/72/1183563472.db2.gz VEPVOBGVYONLSH-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP C[NH+](C)CC1(C(=O)NC2CC(C[NH2+]CCC3CC3)C2)CC1 ZINC001733955510 1183583512 /nfs/dbraw/zinc/58/35/12/1183583512.db2.gz BSRTYUFPKUMSBM-UHFFFAOYSA-N 2 0 293.455 1.613 10 0 CDAERP COCCC[NH2+][C@H](C)[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001733993742 1183605936 /nfs/dbraw/zinc/60/59/36/1183605936.db2.gz FCIMNTGZJJWGIM-ZIAGYGMSSA-N 2 0 299.459 1.238 10 0 CDAERP COCCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H]1C ZINC001734393795 1183760507 /nfs/dbraw/zinc/76/05/07/1183760507.db2.gz HCCAQLUIIDNHIX-DZGCQCFKSA-N 2 0 297.443 1.086 10 0 CDAERP CCN(C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C)[C@@H]1CC[N@H+](C)C1 ZINC001771786347 1186871045 /nfs/dbraw/zinc/87/10/45/1186871045.db2.gz XMDGVWDJRUAWAK-RBSFLKMASA-N 2 0 296.459 1.595 10 0 CDAERP C[C@@H](CNC(=[NH2+])NCCC1CC1)[NH+]1CCCCC1 ZINC000864455048 1164545337 /nfs/dbraw/zinc/54/53/37/1164545337.db2.gz FBSMNQCHEGZMBN-LBPRGKRZSA-N 2 0 252.406 1.775 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])N2CC[C@H](CC)C2)C1 ZINC000864456812 1164546345 /nfs/dbraw/zinc/54/63/45/1164546345.db2.gz MZMYXEQUVYOPGZ-UONOGXRCSA-N 2 0 266.433 1.975 10 0 CDAERP C[NH+](C)CCOCC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925648373 751362778 /nfs/dbraw/zinc/36/27/78/751362778.db2.gz ASAIJWICIJFYEO-HOTGVXAUSA-N 3 0 283.460 1.323 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]C2(CC(N)=O)CCC2)CC1(C)C ZINC000921970440 751385354 /nfs/dbraw/zinc/38/53/54/751385354.db2.gz RBWPXANJSXVZRZ-LLVKDONJSA-N 2 0 253.390 1.247 10 0 CDAERP C[NH+]1CCC(CC[NH2+]C[C@@H](O)c2ccc(F)cn2)CC1 ZINC000818988489 751415268 /nfs/dbraw/zinc/41/52/68/751415268.db2.gz ABFQEYOMOSASMH-OAHLLOKOSA-N 2 0 281.375 1.576 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000926313328 751543308 /nfs/dbraw/zinc/54/33/08/751543308.db2.gz FXDQYLVLYIWLMJ-YIONKMFJSA-N 2 0 278.440 1.859 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+]C1[C@H](C)COC[C@H]1C ZINC000926150043 751552359 /nfs/dbraw/zinc/55/23/59/751552359.db2.gz IKGQOIPCTQDHQU-ZIAGYGMSSA-N 2 0 272.433 1.605 10 0 CDAERP [NH3+][C@@H]1CCCCC[C@H]1NC[C@@H]1C[NH2+]CCC1(F)F ZINC000925777130 751760381 /nfs/dbraw/zinc/76/03/81/751760381.db2.gz OGLQADUBOAJKSN-QJPTWQEYSA-N 2 0 261.360 1.481 10 0 CDAERP C[N@H+](C[C@H](O)CC(F)(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000307948960 751805732 /nfs/dbraw/zinc/80/57/32/751805732.db2.gz PVQCNOWQINQYKK-NXEZZACHSA-N 2 0 254.296 1.374 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]CCCOC[C@@H]2CCOC2)C12CCC2 ZINC000925520055 751810833 /nfs/dbraw/zinc/81/08/33/751810833.db2.gz DWPHVUTXBDAZBI-BFHYXJOUSA-N 2 0 268.401 1.289 10 0 CDAERP Cc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)c(=O)n1C ZINC000925656617 751823878 /nfs/dbraw/zinc/82/38/78/751823878.db2.gz KFGSECGMZZZHBO-KGLIPLIRSA-N 2 0 277.412 1.689 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000846179216 751826039 /nfs/dbraw/zinc/82/60/39/751826039.db2.gz MYKLFYHBBAZNBF-CQSZACIVSA-N 2 0 284.448 1.345 10 0 CDAERP COC(=O)N1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000796749022 751827659 /nfs/dbraw/zinc/82/76/59/751827659.db2.gz YTSMFQJFNIBGTL-BYNSBNAKSA-N 2 0 295.427 1.680 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC000925826133 751844162 /nfs/dbraw/zinc/84/41/62/751844162.db2.gz JXVXMIWDOKGWAO-ZDUSSCGKSA-N 2 0 270.417 1.415 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]([NH3+])CC1CC1 ZINC000381064604 751854507 /nfs/dbraw/zinc/85/45/07/751854507.db2.gz XXTREWNOUXIQNV-STQMWFEESA-N 2 0 253.390 1.057 10 0 CDAERP CC(C)COC[C@H](O)C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000715543514 751860081 /nfs/dbraw/zinc/86/00/81/751860081.db2.gz OMFHURNLFJCIOC-HWOWSKLDSA-N 2 0 286.460 1.872 10 0 CDAERP COCC[NH2+]C1CC[NH+](C[C@H]2C[C@@H](OC)C2)CC1 ZINC000872145624 751873081 /nfs/dbraw/zinc/87/30/81/751873081.db2.gz VLCGNUKVGWCXCO-XBXGTLAGSA-N 2 0 256.390 1.112 10 0 CDAERP C[C@H]1[NH2+]CCC[C@@H]1NC1CC([NH+]2CCCCC2)C1 ZINC000925662654 751989612 /nfs/dbraw/zinc/98/96/12/751989612.db2.gz KSBQGWICPAHHFG-URGYJCLVSA-N 2 0 251.418 1.733 10 0 CDAERP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872286123 752022792 /nfs/dbraw/zinc/02/27/92/752022792.db2.gz WCWVDMLLPIZHRU-CTASWTNQSA-N 2 0 279.428 1.447 10 0 CDAERP CC(C)C[N@H+](C)CCCN[C@H]1CC[NH2+]C12CCC2 ZINC000925712283 752056644 /nfs/dbraw/zinc/05/66/44/752056644.db2.gz OASSNRUBIHFMQQ-AWEZNQCLSA-N 2 0 253.434 1.839 10 0 CDAERP Cc1cc(N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)nc(N)[nH+]1 ZINC000221035482 752061555 /nfs/dbraw/zinc/06/15/55/752061555.db2.gz WFDOFSNZNPTEDW-RYUDHWBXSA-N 2 0 261.373 1.288 10 0 CDAERP CCO[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C[NH+](C)C ZINC000922753794 752066283 /nfs/dbraw/zinc/06/62/83/752066283.db2.gz JXPBOASTFACLDA-QLFBSQMISA-N 2 0 269.433 1.170 10 0 CDAERP Cc1ccc(C[N@H+](C)CCOCC[NH3+])nc1Cl ZINC000866669394 752082221 /nfs/dbraw/zinc/08/22/21/752082221.db2.gz ZEUYZIJDYLXFEN-UHFFFAOYSA-N 2 0 257.765 1.451 10 0 CDAERP c1ccc2c(c1)CC[NH2+][C@H]2CNCC12CC(C1)C[NH2+]2 ZINC000873212984 752167394 /nfs/dbraw/zinc/16/73/94/752167394.db2.gz SWBLFTZPGXFAFK-NRAUKZCXSA-N 2 0 257.381 1.215 10 0 CDAERP CCOC(=O)[C@@H]1C[C@H]1C[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000929998420 752186664 /nfs/dbraw/zinc/18/66/64/752186664.db2.gz CSCLFUKHGARQGV-BARDWOONSA-N 2 0 282.428 1.848 10 0 CDAERP CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870886673 1165227033 /nfs/dbraw/zinc/22/70/33/1165227033.db2.gz PCAQJEFGSMLEFK-HOSILWTGSA-N 2 0 279.428 1.495 10 0 CDAERP C[C@H]1[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[N@@H+]1C ZINC000928454470 752270137 /nfs/dbraw/zinc/27/01/37/752270137.db2.gz ZBPJNMKFMJWANW-SWLSCSKDSA-N 2 0 275.396 1.571 10 0 CDAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](C[C@H]1CC3(CCC3)CO1)CC2 ZINC000923443546 752271869 /nfs/dbraw/zinc/27/18/69/752271869.db2.gz FOGRCQMBIHRPHL-LSDHHAIUSA-N 2 0 294.439 1.775 10 0 CDAERP O[C@@H](CCc1ccccc1)CN(C1CC1)[C@H]1CC[NH2+]C1 ZINC000923328705 752296620 /nfs/dbraw/zinc/29/66/20/752296620.db2.gz BYJJMTRRLGNDTC-IRXDYDNUSA-N 2 0 274.408 1.806 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=[NH2+])NC2CCCCC2)C1 ZINC000849048997 749386630 /nfs/dbraw/zinc/38/66/30/749386630.db2.gz KZEDWFOETFMXIX-BJHJDKERSA-N 2 0 252.406 1.773 10 0 CDAERP C[C@H](C[C@@H]1COCCN1)[NH2+]CC[C@@H]1CC[C@H]2C[C@H]21 ZINC000717172130 749386859 /nfs/dbraw/zinc/38/68/59/749386859.db2.gz LYNRYJCEXRFAED-FQKPHLNHSA-N 2 0 252.402 1.779 10 0 CDAERP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cnn(-c3ccccc3)n2)C1 ZINC000841085000 749387202 /nfs/dbraw/zinc/38/72/02/749387202.db2.gz RSNKJHPJJKCZEI-STQMWFEESA-N 2 0 271.368 1.484 10 0 CDAERP [NH3+][C@H]1C[C@@H]([NH2+]CCN2CCc3sccc3C2)C12CCC2 ZINC000925490810 749400606 /nfs/dbraw/zinc/40/06/06/749400606.db2.gz CFGQOAQBXUDZSZ-LSDHHAIUSA-N 2 0 291.464 1.966 10 0 CDAERP Cn1ncc2cc(C[NH2+]CC3CC[NH+](C)CC3)cnc21 ZINC000865449581 749415986 /nfs/dbraw/zinc/41/59/86/749415986.db2.gz AXMSHUSSNPYMDM-UHFFFAOYSA-N 2 0 273.384 1.400 10 0 CDAERP C/C(=C/C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C1CC1 ZINC000870022884 749483675 /nfs/dbraw/zinc/48/36/75/749483675.db2.gz BTPDUHYFANRVHU-NWDJSDSRSA-N 2 0 293.455 1.541 10 0 CDAERP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@@H](O)C2CC2)C1 ZINC000818959664 749508666 /nfs/dbraw/zinc/50/86/66/749508666.db2.gz QFDRXLBTFCONKC-DZGCQCFKSA-N 2 0 254.418 1.859 10 0 CDAERP [NH3+]C[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)C[C@@H]1C(F)(F)F ZINC000872150167 749514964 /nfs/dbraw/zinc/51/49/64/749514964.db2.gz YSDGTMIRHXXIMD-MXWKQRLJSA-N 2 0 265.323 1.055 10 0 CDAERP COCCOC[C@@H]1CC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923315995 749520408 /nfs/dbraw/zinc/52/04/08/749520408.db2.gz BYDPLWMWOPFCLD-CYBMUJFWSA-N 2 0 256.390 1.113 10 0 CDAERP C[C@H]([NH2+]C[C@@H](O)c1ccc(F)cn1)C1=CC[N@H+](C)CC1 ZINC000819220915 749534948 /nfs/dbraw/zinc/53/49/48/749534948.db2.gz TYNDXTWVKZKQGJ-XHDPSFHLSA-N 2 0 279.359 1.494 10 0 CDAERP OC[C@@H]1CCC[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000385528376 749564691 /nfs/dbraw/zinc/56/46/91/749564691.db2.gz QTUXQHCPVXVLDB-MRKIUDBFSA-N 2 0 250.386 1.124 10 0 CDAERP CN1CC[NH+](CCCC[NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)CC1 ZINC000924656994 749611384 /nfs/dbraw/zinc/61/13/84/749611384.db2.gz FCFYJKHRUNLDOA-GVDBMIGSSA-N 2 0 277.456 1.958 10 0 CDAERP C1C[C@@H]2CO[C@@H](c3noc(C4CC[NH2+]CC4)n3)CN2C1 ZINC000091686252 749620695 /nfs/dbraw/zinc/62/06/95/749620695.db2.gz PNABEZZXZVDXJC-VXGBXAGGSA-N 2 0 278.356 1.072 10 0 CDAERP COc1ccc(C[N@H+](C)C[C@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC000923299650 749680085 /nfs/dbraw/zinc/68/00/85/749680085.db2.gz USAJNSATELYQFO-OAHLLOKOSA-N 2 0 276.380 1.506 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000925427026 749719315 /nfs/dbraw/zinc/71/93/15/749719315.db2.gz CXMXJFRPGZYLGR-ZDUSSCGKSA-N 2 0 282.432 1.206 10 0 CDAERP CO[C@H]1CN(CCCC(C)(F)F)[C@](C)(C[NH3+])C1 ZINC000718612032 749757420 /nfs/dbraw/zinc/75/74/20/749757420.db2.gz ZKZIFXNBTHPYCC-MNOVXSKESA-N 2 0 250.333 1.860 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CC2(C)C)C1 ZINC000711301864 749795371 /nfs/dbraw/zinc/79/53/71/749795371.db2.gz LVCLZJFQELZJHR-OLZOCXBDSA-N 2 0 267.417 1.175 10 0 CDAERP FC(F)(F)[C@@H]1CC[C@@H](C[NH2+]C2CC[NH2+]CC2)O1 ZINC000722390047 749805322 /nfs/dbraw/zinc/80/53/22/749805322.db2.gz SQNKREQRDKSPBG-UWVGGRQHSA-N 2 0 252.280 1.438 10 0 CDAERP C[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)CC[C@@H]1C[NH3+] ZINC000923492392 749822207 /nfs/dbraw/zinc/82/22/07/749822207.db2.gz OCGDLIRDZIBIJG-FVQBIDKESA-N 2 0 262.397 1.507 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H](CO)Cc1ccccc1 ZINC000926203864 749827724 /nfs/dbraw/zinc/82/77/24/749827724.db2.gz SXLLIXJESUJLTM-LVYZTWJOSA-N 2 0 274.408 1.520 10 0 CDAERP COCCNC(=O)[C@H](CC(C)C)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925635234 749831445 /nfs/dbraw/zinc/83/14/45/749831445.db2.gz SQTDFWKZQGPLRP-MELADBBJSA-N 2 0 297.443 1.023 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCCNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870855963 749832006 /nfs/dbraw/zinc/83/20/06/749832006.db2.gz QAXRFOISCKSLLW-UQPPLGOBSA-N 2 0 293.455 1.899 10 0 CDAERP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]CC2(O)CCCCC2)CC1 ZINC000819173723 749834091 /nfs/dbraw/zinc/83/40/91/749834091.db2.gz MGOWMKZNIROXPF-HZPDHXFCSA-N 2 0 296.455 1.649 10 0 CDAERP C[NH+](C)CC1(O)CC[NH+](C[C@H]2CC3(CCC3)CO2)CC1 ZINC000931479642 749922630 /nfs/dbraw/zinc/92/26/30/749922630.db2.gz WNQMOPUBAQPCLE-CQSZACIVSA-N 2 0 282.428 1.334 10 0 CDAERP Cc1cc[nH]c1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870018933 749976997 /nfs/dbraw/zinc/97/69/97/749976997.db2.gz IQTXTFBBOJYTEF-ZIAGYGMSSA-N 2 0 292.427 1.135 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000852896846 750024534 /nfs/dbraw/zinc/02/45/34/750024534.db2.gz CLBXEXGXVREFRO-LSDHHAIUSA-N 2 0 277.412 1.429 10 0 CDAERP [NH3+]CCCCCCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000843506482 750026411 /nfs/dbraw/zinc/02/64/11/750026411.db2.gz VRFSGMHBUODQFS-MCIONIFRSA-N 2 0 267.417 1.542 10 0 CDAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC000865177823 750035898 /nfs/dbraw/zinc/03/58/98/750035898.db2.gz LYKCQJDDNQEHIH-ZIAGYGMSSA-N 2 0 283.460 1.620 10 0 CDAERP CCn1c(C)nnc1C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723902051 750157438 /nfs/dbraw/zinc/15/74/38/750157438.db2.gz LPQDZMRRKULMOQ-ZYHUDNBSSA-N 2 0 251.378 1.023 10 0 CDAERP COC[C@@H]1CC[C@H]([C@@H]2COCC[N@@H+]2C[C@@H]2CC[C@H]([NH3+])C2)O1 ZINC000923554378 750202476 /nfs/dbraw/zinc/20/24/76/750202476.db2.gz NWNDCKPDZNWKCY-OLMNGRFOSA-N 2 0 298.427 1.009 10 0 CDAERP c1cc(C2CC2)ccc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000923460289 750280828 /nfs/dbraw/zinc/28/08/28/750280828.db2.gz MECCYVIBNLNNSC-UHFFFAOYSA-N 2 0 259.397 1.559 10 0 CDAERP C[C@@H](CO)CCC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925630291 750439846 /nfs/dbraw/zinc/43/98/46/750439846.db2.gz QPWKWZILCJPGAD-RFGFWPKPSA-N 2 0 254.418 1.761 10 0 CDAERP CCO[C@@H](CC[NH+](C)C)CN[C@H]1CC[NH2+]C12CCCC2 ZINC000925539254 750448287 /nfs/dbraw/zinc/44/82/87/750448287.db2.gz AJZJRMALTNHMIB-GJZGRUSLSA-N 3 0 283.460 1.608 10 0 CDAERP CC[C@@H](C)NC(=S)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000849275151 750444734 /nfs/dbraw/zinc/44/47/34/750444734.db2.gz JDFXLVGZYGIRDA-OLZOCXBDSA-N 2 0 288.505 1.521 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1CCCN2CCSC[C@H]12)[NH+](C)C ZINC000928102752 750486704 /nfs/dbraw/zinc/48/67/04/750486704.db2.gz VAGQAYNNPKQZSC-RWMBFGLXSA-N 2 0 285.457 1.023 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000861563031 750488292 /nfs/dbraw/zinc/48/82/92/750488292.db2.gz FWGYKCNQMDHTOP-WCQYABFASA-N 2 0 282.432 1.299 10 0 CDAERP C([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724651556 750499070 /nfs/dbraw/zinc/49/90/70/750499070.db2.gz ZQLADYPZSHJSSA-RYPNDVFKSA-N 2 0 266.385 1.007 10 0 CDAERP C(N[C@H]1C[N@@H+]2C[C@@H]1CCC2)[C@@H]1CCC[NH+](CC2CC2)C1 ZINC000926738369 750517708 /nfs/dbraw/zinc/51/77/08/750517708.db2.gz KBWQYLPBWMPLSC-ULQDDVLXSA-N 2 0 277.456 1.792 10 0 CDAERP [NH2+]=C(NCCCC[NH+]1CCOCC1)NC1CCCC1 ZINC000195522519 750522929 /nfs/dbraw/zinc/52/29/29/750522929.db2.gz ARPDKJITNKOFEM-UHFFFAOYSA-N 2 0 268.405 1.155 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[NH+](C)C(C)(C)CC1 ZINC000871153185 750552509 /nfs/dbraw/zinc/55/25/09/750552509.db2.gz AWEZZJBQTFBULA-OKILXGFUSA-N 2 0 281.444 1.802 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=[NH2+])NC2CC2)C1 ZINC000848988094 750625132 /nfs/dbraw/zinc/62/51/32/750625132.db2.gz FPWJSDRPBJDQJL-TXEJJXNPSA-N 2 0 252.406 1.631 10 0 CDAERP CCO[C@@H]1C[N@H+](C[C@@H]2CCO[C@H](CC)C2)C[C@H]1C[NH3+] ZINC000844903873 750650805 /nfs/dbraw/zinc/65/08/05/750650805.db2.gz QPECGBHEAIVAFW-KBUPBQIOSA-N 2 0 270.417 1.487 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)[C@H]2CCC[C@H]21 ZINC000866445212 750762311 /nfs/dbraw/zinc/76/23/11/750762311.db2.gz IJUIUNJBOGLRDE-YROFVEHVSA-N 2 0 276.424 1.872 10 0 CDAERP c1ccc([C@@H]2C[C@H]3C[N@@H+](CCN4CC[NH2+]CC4)C[C@H]32)cc1 ZINC000863556485 750806391 /nfs/dbraw/zinc/80/63/91/750806391.db2.gz DTVBXNGSMNIZFM-OKZBNKHCSA-N 2 0 285.435 1.627 10 0 CDAERP C[N@@H+]1C[C@@]2(C)CN(CC[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000931315847 750816924 /nfs/dbraw/zinc/81/69/24/750816924.db2.gz CBTKVYVXCFCORH-GASCZTMLSA-N 2 0 251.418 1.356 10 0 CDAERP COCC[N@H+](C)CCC[NH2+]C[C@H](O)c1ccccc1C ZINC000818958779 750827031 /nfs/dbraw/zinc/82/70/31/750827031.db2.gz VGNXDICKJSGVOO-INIZCTEOSA-N 2 0 280.412 1.586 10 0 CDAERP C[C@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000400500968 750834401 /nfs/dbraw/zinc/83/44/01/750834401.db2.gz IMDSCWNWZQIHLE-NHCYSSNCSA-N 2 0 274.368 1.917 10 0 CDAERP C[C@H](C[NH+]1CCC(C(C)(C)C[NH3+])CC1)CS(C)(=O)=O ZINC000714415020 750843488 /nfs/dbraw/zinc/84/34/88/750843488.db2.gz VNDNEZSTMNJQJY-GFCCVEGCSA-N 2 0 290.473 1.364 10 0 CDAERP O[C@@H](C[NH2+][C@@H]1CC2CCC1CC2)C[NH+]1CCCC1 ZINC000386866177 750853488 /nfs/dbraw/zinc/85/34/88/750853488.db2.gz VFQQOYHFDYKBPV-PFSRBDOWSA-N 2 0 252.402 1.611 10 0 CDAERP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000713010372 750853676 /nfs/dbraw/zinc/85/36/76/750853676.db2.gz QTKJBGGXTQKWOQ-VXGBXAGGSA-N 2 0 257.422 1.452 10 0 CDAERP CC1(C)[C@@H](N[C@@H]2CC[N@@H+](C3CC3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925494877 750862292 /nfs/dbraw/zinc/86/22/92/750862292.db2.gz LNTQVOPNEBXFLR-RZFFKMDDSA-N 2 0 263.429 1.589 10 0 CDAERP CO[C@@H](C[NH+]1CCC(O)(C[NH+](C)C)CC1)C1CCCC1 ZINC000931480100 750863593 /nfs/dbraw/zinc/86/35/93/750863593.db2.gz LSJAVXBJVLFWPH-HNNXBMFYSA-N 2 0 284.444 1.580 10 0 CDAERP CC[NH+](CC)CCCN1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872150967 750872270 /nfs/dbraw/zinc/87/22/70/750872270.db2.gz HTSSLDFEYXQEFN-RYUDHWBXSA-N 2 0 281.366 1.787 10 0 CDAERP COC[C@H](O)C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923508302 750876435 /nfs/dbraw/zinc/87/64/35/750876435.db2.gz ULHVNRCVBPSKEG-DZGCQCFKSA-N 2 0 270.417 1.095 10 0 CDAERP C[C@@H]1CCCC[C@H]1OCCN1CC[NH2+]CC[NH2+]CC1 ZINC000923460135 751139427 /nfs/dbraw/zinc/13/94/27/751139427.db2.gz AIIQKTXAJKJUGZ-HUUCEWRRSA-N 2 0 269.433 1.077 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)COC1CC[NH+](C)CC1 ZINC000930190491 751203218 /nfs/dbraw/zinc/20/32/18/751203218.db2.gz OTSRGDIJUIZFSH-CQSZACIVSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)(O)C[C@@H](O)C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000872215502 751304144 /nfs/dbraw/zinc/30/41/44/751304144.db2.gz CKZZBSURGTXBNM-OAHLLOKOSA-N 2 0 284.444 1.220 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](CCN2CCOCC2)C1 ZINC000866706406 752332673 /nfs/dbraw/zinc/33/26/73/752332673.db2.gz HYMBCMVUDSUUGH-OAHLLOKOSA-N 2 0 269.433 1.016 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000232924039 752383734 /nfs/dbraw/zinc/38/37/34/752383734.db2.gz KTKPXYYFOJNSLO-GJZGRUSLSA-N 2 0 293.455 1.851 10 0 CDAERP CCCCOC[C@@H](O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709869967 752394806 /nfs/dbraw/zinc/39/48/06/752394806.db2.gz ZJGZAIILEPBXKI-LSDHHAIUSA-N 2 0 270.417 1.240 10 0 CDAERP O=C1O[C@@H](C[NH2+][C@@H](C2CC2)C2CCC2)CC12CC[NH2+]CC2 ZINC000925849260 752477457 /nfs/dbraw/zinc/47/74/57/752477457.db2.gz NRZLNJQOGRBYNB-HUUCEWRRSA-N 2 0 292.423 1.840 10 0 CDAERP FC(F)(F)CCCCN1CC[NH2+]CC[NH2+]CC1 ZINC000923460847 752697215 /nfs/dbraw/zinc/69/72/15/752697215.db2.gz WRRLFXDTGRYYQJ-UHFFFAOYSA-N 2 0 253.312 1.214 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCOCC1CCOCC1 ZINC000925117243 752796282 /nfs/dbraw/zinc/79/62/82/752796282.db2.gz FVRCRNKTSQJAHE-SJPCQFCGSA-N 2 0 296.455 1.750 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C1CCC2(CC1)OCCO2 ZINC000863543337 752799545 /nfs/dbraw/zinc/79/95/45/752799545.db2.gz MPVSOWCJMLEHLC-QWHCGFSZSA-N 2 0 254.374 1.402 10 0 CDAERP O=C1CCCN1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000820806080 752858544 /nfs/dbraw/zinc/85/85/44/752858544.db2.gz ZTODAEBLFQXSEF-VHRNVKJDSA-N 2 0 291.439 1.746 10 0 CDAERP [NH3+]Cc1ccc(-c2noc(CO[C@H]3CCC[NH2+]C3)n2)cc1 ZINC000842649729 752870161 /nfs/dbraw/zinc/87/01/61/752870161.db2.gz BZPRKKQWKSLJFL-ZDUSSCGKSA-N 2 0 288.351 1.464 10 0 CDAERP CCS[C@@H]1CCCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923312291 752920443 /nfs/dbraw/zinc/92/04/43/752920443.db2.gz DEOMBECRKYYTRH-ZIAGYGMSSA-N 2 0 284.469 1.973 10 0 CDAERP C[NH+](C)CC1CN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000854721458 752922982 /nfs/dbraw/zinc/92/29/82/752922982.db2.gz FPNIXOKIYSMXJI-HNNXBMFYSA-N 2 0 285.407 1.219 10 0 CDAERP C[C@@H]([NH2+][C@H]1CCCNC1=O)c1cccc(C[NH+](C)C)c1 ZINC000820808823 752996002 /nfs/dbraw/zinc/99/60/02/752996002.db2.gz OIJPAMMTLWOGFB-DOMZBBRYSA-N 2 0 275.396 1.677 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000715531254 753059269 /nfs/dbraw/zinc/05/92/69/753059269.db2.gz GPYHWPPJTUAOII-RWMBFGLXSA-N 2 0 255.406 1.349 10 0 CDAERP C[NH2+]C[C@@H](C)c1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000843227092 753173227 /nfs/dbraw/zinc/17/32/27/753173227.db2.gz RZEVHBIECYDZLK-SECBINFHSA-N 2 0 257.297 1.707 10 0 CDAERP Cc1cccc2c1CC[C@@H]2[NH2+]CCN1CCC([NH3+])CC1 ZINC000925810477 753182032 /nfs/dbraw/zinc/18/20/32/753182032.db2.gz OFBIRXPUIZPJHE-KRWDZBQOSA-N 2 0 273.424 1.995 10 0 CDAERP CCN(C)C(=O)CC[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866707036 753182960 /nfs/dbraw/zinc/18/29/60/753182960.db2.gz LHIRAXHAHGCQRY-OAHLLOKOSA-N 2 0 269.433 1.552 10 0 CDAERP CCCCOC[C@H](O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000227910414 753196915 /nfs/dbraw/zinc/19/69/15/753196915.db2.gz CPOBYDKQDQPUJR-HZPDHXFCSA-N 2 0 284.444 1.628 10 0 CDAERP COc1c(C)cc(C[N@H+](C)[C@H]2C[C@H]([NH3+])C[C@@H]2O)cc1C ZINC000923311907 753252744 /nfs/dbraw/zinc/25/27/44/753252744.db2.gz BENBHQXVHOXRPZ-KKUMJFAQSA-N 2 0 278.396 1.594 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N1CCC([NH+](C)C)CC1 ZINC000713060778 753271812 /nfs/dbraw/zinc/27/18/12/753271812.db2.gz RILURMMINVWNOM-ZDUSSCGKSA-N 2 0 269.433 1.549 10 0 CDAERP CC[C@H]1CCN(C(=[NH2+])NCC[N@H+](CC)C(C)C)C1 ZINC000864456483 753280791 /nfs/dbraw/zinc/28/07/91/753280791.db2.gz HMIPCNOYLLTJRM-ZDUSSCGKSA-N 2 0 254.422 1.973 10 0 CDAERP COC(CC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1)OC ZINC000852762368 753308774 /nfs/dbraw/zinc/30/87/74/753308774.db2.gz LCWHGMSEDDURCN-CYBMUJFWSA-N 2 0 274.405 1.038 10 0 CDAERP [NH3+]C[C@H]1C[N@H+](CCCCCCO)C[C@H]1C(F)(F)F ZINC000720845099 753318653 /nfs/dbraw/zinc/31/86/53/753318653.db2.gz MOYISIIUMWMOMY-WDEREUQCSA-N 2 0 268.323 1.608 10 0 CDAERP CC1(C)C[C@@H](O)C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000866702460 753325203 /nfs/dbraw/zinc/32/52/03/753325203.db2.gz BMOJCJZCNZIBQD-MRXNPFEDSA-N 2 0 274.408 1.925 10 0 CDAERP C([C@H]1CCC2(COC2)O1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000929720068 753344590 /nfs/dbraw/zinc/34/45/90/753344590.db2.gz UXFNRRFIYJDYQN-JKSUJKDBSA-N 2 0 294.439 1.742 10 0 CDAERP COc1ccc2c(c1)[nH+]ccc2N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000848766224 753351488 /nfs/dbraw/zinc/35/14/88/753351488.db2.gz MEYRJAXIDOSKJN-QWHCGFSZSA-N 2 0 299.374 1.499 10 0 CDAERP C[N@@H+]1CC[C@@H]2C[NH+](CCCCC3(C)OCCO3)C[C@@H]2C1 ZINC000931437341 753359527 /nfs/dbraw/zinc/35/95/27/753359527.db2.gz NVWDJNPFYHFNAZ-CABCVRRESA-N 2 0 282.428 1.803 10 0 CDAERP CC[NH2+]CC1CC[NH+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)CC1 ZINC000724576381 753377420 /nfs/dbraw/zinc/37/74/20/753377420.db2.gz DYXIERQRLSJKHI-ILXRZTDVSA-N 2 0 268.401 1.112 10 0 CDAERP C[NH+](C)CCC[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711438230 753445280 /nfs/dbraw/zinc/44/52/80/753445280.db2.gz HQCMHVGPUZNQFM-BETUJISGSA-N 2 0 285.432 1.831 10 0 CDAERP CC[C@H](C(=O)N1CC[N@H+](C)C(C)(C)CC1)[NH+](C)C ZINC000871154531 753447703 /nfs/dbraw/zinc/44/77/03/753447703.db2.gz GPOAJSFQUDHZEZ-GFCCVEGCSA-N 2 0 255.406 1.269 10 0 CDAERP CC(C)[NH+]1CCC(CC[NH2+]C[C@H](O)C2CC2)CC1 ZINC000872223251 753617215 /nfs/dbraw/zinc/61/72/15/753617215.db2.gz PDQRPPILFSBJKA-HNNXBMFYSA-N 2 0 254.418 1.857 10 0 CDAERP [NH3+][C@@H](CC(=O)N1CCC(C[NH+]2CCCC2)CC1)C1CC1 ZINC000123862393 1165354428 /nfs/dbraw/zinc/35/44/28/1165354428.db2.gz IVSRWVSXCMWTSH-HNNXBMFYSA-N 2 0 279.428 1.448 10 0 CDAERP C[C@@H]1CCC[N@H+](CCCCNC2=[NH+]CCCCN2)C1 ZINC000849215512 753708817 /nfs/dbraw/zinc/70/88/17/753708817.db2.gz NQFJBZSYSHKGBQ-CQSZACIVSA-N 2 0 266.433 1.828 10 0 CDAERP OCCCCCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000850238319 753767432 /nfs/dbraw/zinc/76/74/32/753767432.db2.gz DUKLYDAXZDJAPN-UHFFFAOYSA-N 2 0 274.368 1.910 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCOC(F)F)[C@@H](C)C1 ZINC000850521055 753772476 /nfs/dbraw/zinc/77/24/76/753772476.db2.gz AEXWYKGDPVQWSM-STQMWFEESA-N 2 0 294.386 1.952 10 0 CDAERP C[NH+](C)C1(CN[C@H]2CC[NH2+]C23CCC3)CCCC1 ZINC000925517125 753781526 /nfs/dbraw/zinc/78/15/26/753781526.db2.gz FQSHXFJBQBVWCI-ZDUSSCGKSA-N 2 0 251.418 1.735 10 0 CDAERP CCc1noc(CN2CCC(C(C)(C)C[NH3+])CC2)n1 ZINC000714432113 753827197 /nfs/dbraw/zinc/82/71/97/753827197.db2.gz WXLCPPAUCSAQLP-UHFFFAOYSA-N 2 0 266.389 1.829 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC000870880203 753832966 /nfs/dbraw/zinc/83/29/66/753832966.db2.gz OKRBVGKZRIPZPW-QSJFSLAZSA-N 2 0 291.439 1.591 10 0 CDAERP CCC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC001645909500 1167563656 /nfs/dbraw/zinc/56/36/56/1167563656.db2.gz NVLSKPAKPMJICV-RBSFLKMASA-N 2 0 297.443 1.073 10 0 CDAERP CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CCC[NH+](C)C ZINC001565937560 1168204497 /nfs/dbraw/zinc/20/44/97/1168204497.db2.gz AUEPHJVSOYIFLQ-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC)[C@@H]1C ZINC001566110805 1168236360 /nfs/dbraw/zinc/23/63/60/1168236360.db2.gz CKRMKIKDDKJEHL-OLZOCXBDSA-N 2 0 255.406 1.317 10 0 CDAERP CC1CC(C[N@@H+]2CC[C@H](NC(=O)CCCC[NH+](C)C)C2)C1 ZINC001566679019 1168384854 /nfs/dbraw/zinc/38/48/54/1168384854.db2.gz KYYNUDWOOZZJDA-GPANFISMSA-N 2 0 295.471 1.955 10 0 CDAERP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[C@@H](C[NH2+]CCF)C1 ZINC001566893545 1168458807 /nfs/dbraw/zinc/45/88/07/1168458807.db2.gz JVNNPNALGNNHMH-DZGCQCFKSA-N 2 0 297.418 1.126 10 0 CDAERP CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001483696805 912872278 /nfs/dbraw/zinc/87/22/78/912872278.db2.gz JSFJBKZSPHWZKA-HUUCEWRRSA-N 2 0 281.444 1.851 10 0 CDAERP CC(C)=CC[N@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001567282399 1168658478 /nfs/dbraw/zinc/65/84/78/1168658478.db2.gz ZKUYSTWDVGEOOZ-OAHLLOKOSA-N 2 0 279.428 1.342 10 0 CDAERP CCC[N@H+](C)CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001567288618 1168659478 /nfs/dbraw/zinc/65/94/78/1168659478.db2.gz LUWQDGJAGZHJSL-KGLIPLIRSA-N 2 0 267.417 1.461 10 0 CDAERP COCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001266319911 894364627 /nfs/dbraw/zinc/36/46/27/894364627.db2.gz VEHNEHMOEQOUQW-LSDHHAIUSA-N 2 0 297.443 1.086 10 0 CDAERP CC(C)CC[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001266731842 895931780 /nfs/dbraw/zinc/93/17/80/895931780.db2.gz AKPVGYBETLDFPG-AWEZNQCLSA-N 2 0 271.449 1.667 10 0 CDAERP CC(C)CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723886024 896252067 /nfs/dbraw/zinc/25/20/67/896252067.db2.gz GEICYPVLHNBAAH-FRRDWIJNSA-N 2 0 255.406 1.064 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CCCF ZINC001266975003 896474012 /nfs/dbraw/zinc/47/40/12/896474012.db2.gz JLFKOCRLAWLZJL-UONOGXRCSA-N 2 0 287.423 1.703 10 0 CDAERP [NH3+][C@H]1C[C@@H](C[NH+]2CCC([NH+]3CCCCC3)CC2)C1 ZINC000693559490 896644502 /nfs/dbraw/zinc/64/45/02/896644502.db2.gz MNCZMBBCIHYQCU-OKILXGFUSA-N 3 0 251.418 1.674 10 0 CDAERP C[C@@H]1CN(Cc2ccccc2)CC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000693584462 896774032 /nfs/dbraw/zinc/77/40/32/896774032.db2.gz BOAYLRCEHAJYMI-OIISXLGYSA-N 2 0 273.424 1.930 10 0 CDAERP Cc1nc(CC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)cs1 ZINC000405211010 897566112 /nfs/dbraw/zinc/56/61/12/897566112.db2.gz CRNCZBBJOBFPMK-VXGBXAGGSA-N 2 0 251.399 1.854 10 0 CDAERP CC/C=C\CC[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001267391986 897851847 /nfs/dbraw/zinc/85/18/47/897851847.db2.gz YADBGYPMCKODIA-YVACAVLKSA-N 2 0 281.444 1.875 10 0 CDAERP CCC(CC)[C@@H](CNC(=[NH2+])NC[C@@H]1CCCO1)[NH+](C)C ZINC000066245161 898253208 /nfs/dbraw/zinc/25/32/08/898253208.db2.gz ZWWYSYWZNQPNDJ-UONOGXRCSA-N 2 0 284.448 1.436 10 0 CDAERP CC(C)C[NH2+]CC[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001272641883 914290162 /nfs/dbraw/zinc/29/01/62/914290162.db2.gz PPUOMJYHRJYZEI-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+](CC[C@H](C)F)C1 ZINC001481125091 898937946 /nfs/dbraw/zinc/93/79/46/898937946.db2.gz BAWSGPGFGIJMQY-KBPBESRZSA-N 2 0 287.423 1.513 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H](CC[NH2+]CC2CC2)C1 ZINC001272651293 914354905 /nfs/dbraw/zinc/35/49/05/914354905.db2.gz CVHKJAIZSNEBSC-HNNXBMFYSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H]1[C@H](C(=O)NC2(C[NH2+]CCCF)CCCC2)CC[N@@H+]1C ZINC001267837300 899845589 /nfs/dbraw/zinc/84/55/89/899845589.db2.gz KLBFPJVFMHOVIJ-ZIAGYGMSSA-N 2 0 299.434 1.705 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001267964427 900099841 /nfs/dbraw/zinc/09/98/41/900099841.db2.gz SUTKLIQFAIMYSG-MRXNPFEDSA-N 2 0 293.455 1.875 10 0 CDAERP CO[C@@H](C)C[NH2+]CCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001481298781 900232367 /nfs/dbraw/zinc/23/23/67/900232367.db2.gz RQXPGWOKLUWQAX-AWEZNQCLSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001268003655 900255221 /nfs/dbraw/zinc/25/52/21/900255221.db2.gz QYCOJSGEOFNNKP-GJZGRUSLSA-N 2 0 281.444 1.636 10 0 CDAERP CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001481686662 901792063 /nfs/dbraw/zinc/79/20/63/901792063.db2.gz RWGHITIXYAJTFZ-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@H](N(C)C(=O)CCc2c[nH]cn2)C1 ZINC001481728650 901958321 /nfs/dbraw/zinc/95/83/21/901958321.db2.gz YWKANGDZCJSFSY-HNNXBMFYSA-N 2 0 292.427 1.921 10 0 CDAERP CC[C@@H](F)C[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268438499 902058237 /nfs/dbraw/zinc/05/82/37/902058237.db2.gz JCHJQKIERMJXFD-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP CC(C)C[NH2+]C[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001482114108 902656989 /nfs/dbraw/zinc/65/69/89/902656989.db2.gz YNQXCAZAUKHUIT-HNNXBMFYSA-N 2 0 295.471 1.860 10 0 CDAERP CC(C)OCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001268689457 902970933 /nfs/dbraw/zinc/97/09/33/902970933.db2.gz XHAGXYINXAZMSR-GJZGRUSLSA-N 2 0 299.459 1.379 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CC)[NH+](CC)CC ZINC001268746046 903075311 /nfs/dbraw/zinc/07/53/11/903075311.db2.gz HZFBXVUMCCAFDZ-STQMWFEESA-N 2 0 257.422 1.563 10 0 CDAERP O[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)C1CC1 ZINC000838898648 904434903 /nfs/dbraw/zinc/43/49/03/904434903.db2.gz OMBRXBCVZCKPLK-NUEKZKHPSA-N 2 0 264.413 1.706 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH2+]C/C=C/Cl ZINC001270371777 904571272 /nfs/dbraw/zinc/57/12/72/904571272.db2.gz LPIFPILNWQWRQB-XCOQAZTISA-N 2 0 273.808 1.175 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001270437087 904636971 /nfs/dbraw/zinc/63/69/71/904636971.db2.gz VWHUUULYSNFTCQ-GJZGRUSLSA-N 2 0 281.444 1.779 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001270458691 904653956 /nfs/dbraw/zinc/65/39/56/904653956.db2.gz VCQBAGWFZICMAS-ZIAGYGMSSA-N 2 0 267.417 1.223 10 0 CDAERP CC/C=C/CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001482317920 904967244 /nfs/dbraw/zinc/96/72/44/904967244.db2.gz AYOSMNJODKACSX-WLBISTCBSA-N 2 0 281.444 1.873 10 0 CDAERP C[C@@H](C[NH2+]CCC1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001271067261 905605571 /nfs/dbraw/zinc/60/55/71/905605571.db2.gz DUMUUZLGCXYPTH-GXTWGEPZSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001271091876 905639504 /nfs/dbraw/zinc/63/95/04/905639504.db2.gz GNQIGGYIWNVABR-OLZOCXBDSA-N 2 0 287.423 1.513 10 0 CDAERP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1[NH2+]CCCF ZINC001271460301 906463830 /nfs/dbraw/zinc/46/38/30/906463830.db2.gz ZOFCVUXHINGVAL-KGLIPLIRSA-N 2 0 285.407 1.268 10 0 CDAERP CN(CC[N@H+](C)CC1CCCC1)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001482642242 908107331 /nfs/dbraw/zinc/10/73/31/908107331.db2.gz ANQRXZOVOUSCCE-MRXNPFEDSA-N 2 0 295.471 1.909 10 0 CDAERP CC[C@@H](C[N@H+](C)CCN(C)C(=O)C[C@@H]1CC[NH+](C)C1)OC ZINC001482642817 908107423 /nfs/dbraw/zinc/10/74/23/908107423.db2.gz UWUNKMMVDJSLMK-GJZGRUSLSA-N 2 0 299.459 1.143 10 0 CDAERP CCN(CC[NH2+]CC[C@@H]1CCCO1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001482914105 908487799 /nfs/dbraw/zinc/48/77/99/908487799.db2.gz IXEOELOROPCVOZ-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP O=C(NC/C=C/C[NH2+]CC1CC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001483025068 908703640 /nfs/dbraw/zinc/70/36/40/908703640.db2.gz STFNHCHWODRTGJ-HSSFLUBNSA-N 2 0 291.439 1.675 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000713044527 909601229 /nfs/dbraw/zinc/60/12/29/909601229.db2.gz QNJKVUXWINCVQM-RYUDHWBXSA-N 2 0 255.406 1.206 10 0 CDAERP CC1(C)CCC[C@H](C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)O1 ZINC000714363217 909729822 /nfs/dbraw/zinc/72/98/22/909729822.db2.gz WQDWOBQNGLSBBU-BFHYXJOUSA-N 2 0 252.402 1.875 10 0 CDAERP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@@H](C)[NH2+]CCC1CC1 ZINC001409395318 910374085 /nfs/dbraw/zinc/37/40/85/910374085.db2.gz ILHHEWOISQIJKO-CHWSQXEVSA-N 2 0 281.444 1.611 10 0 CDAERP CC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001409478635 910428935 /nfs/dbraw/zinc/42/89/35/910428935.db2.gz UHIGLNZHYSXBRP-QWHCGFSZSA-N 2 0 277.412 1.865 10 0 CDAERP COCC[N@H+](CCC[NH2+]C1CC1)C1CCOCC1 ZINC000716450514 910637455 /nfs/dbraw/zinc/63/74/55/910637455.db2.gz LUDAZIUAWWPOOP-UHFFFAOYSA-N 2 0 256.390 1.256 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]C/C=C\Cl ZINC001483296999 910809412 /nfs/dbraw/zinc/80/94/12/910809412.db2.gz UUWIKKPAYANBPM-BZGOVLQXSA-N 2 0 287.835 1.708 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001483382975 911023810 /nfs/dbraw/zinc/02/38/10/911023810.db2.gz IBIROEAYKRKZPA-LSDHHAIUSA-N 2 0 283.460 1.975 10 0 CDAERP C[C@H](C[N@H+](C)CC1CCCC1)NC(=O)C[NH+]1CCCC1 ZINC001483422245 911101096 /nfs/dbraw/zinc/10/10/96/911101096.db2.gz TYMSZAKKPYYBPH-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)[NH2+]C[C@@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001483561682 911250263 /nfs/dbraw/zinc/25/02/63/911250263.db2.gz WBVRGSFGAZJVMP-HUUCEWRRSA-N 2 0 279.428 1.221 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001483955716 915240662 /nfs/dbraw/zinc/24/06/62/915240662.db2.gz PODPHXVFPPPCNN-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CCCC1 ZINC001483997059 915269887 /nfs/dbraw/zinc/26/98/87/915269887.db2.gz UPXNEGWDEDNEPZ-GJZGRUSLSA-N 2 0 281.444 1.754 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001484071628 915386386 /nfs/dbraw/zinc/38/63/86/915386386.db2.gz LWTXDVSYWQULDO-HIFRSBDPSA-N 2 0 285.407 1.411 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[NH+](CC)C2 ZINC001484321799 915617986 /nfs/dbraw/zinc/61/79/86/915617986.db2.gz UNQWYHUWUQHHLQ-ZNMIVQPWSA-N 2 0 281.444 1.707 10 0 CDAERP CCCC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001484511594 915833499 /nfs/dbraw/zinc/83/34/99/915833499.db2.gz JSCQLCPMZSNAOO-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001568180738 1169164578 /nfs/dbraw/zinc/16/45/78/1169164578.db2.gz WMLGGGAUCKFPLR-QWHCGFSZSA-N 2 0 255.406 1.223 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCC1CC1 ZINC001485035463 916412662 /nfs/dbraw/zinc/41/26/62/916412662.db2.gz BCNVNXYKUVDCHZ-JKSUJKDBSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]CCc1ccns1 ZINC001485191210 916650660 /nfs/dbraw/zinc/65/06/60/916650660.db2.gz UEWRHBRMIPHWJA-NWDGAFQWSA-N 2 0 298.456 1.120 10 0 CDAERP Cc1cc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CCC[NH+](C)C)on1 ZINC001485190277 916650928 /nfs/dbraw/zinc/65/09/28/916650928.db2.gz ZVGWLBXFSPLPPI-CHWSQXEVSA-N 2 0 296.415 1.308 10 0 CDAERP Cc1cncc(C[NH2+][C@H](C)[C@H](C)NC(=O)CC[NH+](C)C)c1 ZINC001485190721 916651174 /nfs/dbraw/zinc/65/11/74/916651174.db2.gz RDZWNTWKKQBFLL-KGLIPLIRSA-N 2 0 292.427 1.325 10 0 CDAERP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@@H](C)[NH2+]CCCCCF ZINC001485218081 916661825 /nfs/dbraw/zinc/66/18/25/916661825.db2.gz XXCCZFNFLKPFIL-ZIAGYGMSSA-N 2 0 299.434 1.705 10 0 CDAERP CC/C=C/CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CN(C)CCO1 ZINC001485289247 916765214 /nfs/dbraw/zinc/76/52/14/916765214.db2.gz SNOSTWFUTAADRF-WLBISTCBSA-N 2 0 297.443 1.110 10 0 CDAERP C[C@@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C1CN(CCF)C1 ZINC001485509185 917051371 /nfs/dbraw/zinc/05/13/71/917051371.db2.gz HDVMAKXFHMUQSY-TZMCWYRMSA-N 2 0 285.407 1.267 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1C[C@H](NC(=O)Cn2ccnc2C)C1 ZINC001485706126 917186651 /nfs/dbraw/zinc/18/66/51/917186651.db2.gz XNNIQPFAJUYBHW-SHTZXODSSA-N 2 0 290.411 1.642 10 0 CDAERP [NH3+]CCCCCCNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000831290890 936502627 /nfs/dbraw/zinc/50/26/27/936502627.db2.gz HEUPSAZJELIOBF-BETUJISGSA-N 2 0 268.405 1.041 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CC[NH2+]CCF)CC[N@@H+]1C ZINC001272791218 919291457 /nfs/dbraw/zinc/29/14/57/919291457.db2.gz NSAFPVYSMKIKBJ-FRRDWIJNSA-N 2 0 273.396 1.171 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]C/C=C\Cl ZINC001485912030 920570112 /nfs/dbraw/zinc/57/01/12/920570112.db2.gz IWMBYWRFXKGUNW-BZGOVLQXSA-N 2 0 287.835 1.660 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCC(C)C)[C@H]1C ZINC001486092861 920691717 /nfs/dbraw/zinc/69/17/17/920691717.db2.gz RSSDQCXHSMGSDW-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP COCCN(C[C@H]1CCC[NH2+]1)CC1CC[NH+](C)CC1 ZINC000691378475 922736871 /nfs/dbraw/zinc/73/68/71/922736871.db2.gz JMGHZUNLTSRHQX-OAHLLOKOSA-N 2 0 269.433 1.029 10 0 CDAERP C[N@H+](CCOc1ccc(F)cc1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923302637 923725973 /nfs/dbraw/zinc/72/59/73/923725973.db2.gz YQWZRYUEHQDFSE-OAHLLOKOSA-N 2 0 294.370 1.515 10 0 CDAERP C[NH+](C)CC1(C(=O)N2CCC[C@H](C[NH2+]CCF)C2)CC1 ZINC001491170820 936868728 /nfs/dbraw/zinc/86/87/28/936868728.db2.gz RQKWVINZJBXLIN-CYBMUJFWSA-N 2 0 285.407 1.126 10 0 CDAERP O=C1N[C@H](C2CC[NH+](CCC3CC[NH2+]CC3)CC2)CO1 ZINC000923527157 923903000 /nfs/dbraw/zinc/90/30/00/923903000.db2.gz ZBJBJXZWGQIWKG-AWEZNQCLSA-N 2 0 281.400 1.197 10 0 CDAERP CCC[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001491225533 936879939 /nfs/dbraw/zinc/87/99/39/936879939.db2.gz PYQUJTXHUVFOEG-ZDUSSCGKSA-N 2 0 255.406 1.319 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]C(C)C ZINC001491503037 936925878 /nfs/dbraw/zinc/92/58/78/936925878.db2.gz DQBLRTGXNSQPKO-ZIAGYGMSSA-N 2 0 269.433 1.610 10 0 CDAERP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)C[N@H+](C)C(C)C)co1 ZINC001273202419 924601598 /nfs/dbraw/zinc/60/15/98/924601598.db2.gz FSMQIPNOZBHWRN-GFCCVEGCSA-N 2 0 296.415 1.308 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001410185958 925360927 /nfs/dbraw/zinc/36/09/27/925360927.db2.gz QDVGFHWZHKAYJH-XUXIUFHCSA-N 2 0 285.407 1.313 10 0 CDAERP C[C@H](CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]C/C=C/Cl ZINC001410432770 925653704 /nfs/dbraw/zinc/65/37/04/925653704.db2.gz HBZRKZCLKVPHRX-LOWFTVKWSA-N 2 0 287.835 1.517 10 0 CDAERP Cc1cc([C@@H]([NH3+])CC(=O)N(C)[C@@H]2CC[NH2+]C2)cc(Cl)n1 ZINC000841847793 937017745 /nfs/dbraw/zinc/01/77/45/937017745.db2.gz KHZGPGQDUHRABK-NEPJUHHUSA-N 2 0 296.802 1.254 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1cncs1 ZINC001410508344 925848896 /nfs/dbraw/zinc/84/88/96/925848896.db2.gz LMAFGSNSIMXFJH-LBPRGKRZSA-N 2 0 298.456 1.420 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001488683854 926648080 /nfs/dbraw/zinc/64/80/80/926648080.db2.gz OGZSRRKMLKAXGB-ZIAGYGMSSA-N 2 0 267.417 1.269 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCCN2C/C=C/Cl)C1 ZINC001493137635 926750731 /nfs/dbraw/zinc/75/07/31/926750731.db2.gz KAMAKRKOIAOUNK-HNCOSLNKSA-N 2 0 299.846 1.661 10 0 CDAERP CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1OCC ZINC001489010926 926777420 /nfs/dbraw/zinc/77/74/20/926777420.db2.gz LVUPUEOWHKCSRM-RBSFLKMASA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)CCC[NH2+]CC1CC1)[NH+]1CCCC1 ZINC001276404918 937113082 /nfs/dbraw/zinc/11/30/82/937113082.db2.gz MJWFBRPABDBKQW-INIZCTEOSA-N 2 0 295.471 1.955 10 0 CDAERP COCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001489227126 926849431 /nfs/dbraw/zinc/84/94/31/926849431.db2.gz FMRSQNIDXGDRQE-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@H](F)C[NH2+]C1CC(N(C)C(=O)CCC[NH+](C)C)C1 ZINC001411248955 927309885 /nfs/dbraw/zinc/30/98/85/927309885.db2.gz UFCQXUSUWXYUGG-HSBZDZAISA-N 2 0 287.423 1.655 10 0 CDAERP C[C@@H]1c2sccc2CC[N@H+]1CCN1CC[NH2+]CC1 ZINC000712358478 928468459 /nfs/dbraw/zinc/46/84/59/928468459.db2.gz VJDCXNMOYZWHBG-GFCCVEGCSA-N 2 0 265.426 1.572 10 0 CDAERP COCCOCCCC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693748441 937251670 /nfs/dbraw/zinc/25/16/70/937251670.db2.gz PURYDWKMNIBWJX-ZNMIVQPWSA-N 2 0 284.444 1.796 10 0 CDAERP CC(C)[C@H]1CN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC[NH2+]1 ZINC000856488618 928607418 /nfs/dbraw/zinc/60/74/18/928607418.db2.gz AJELYANEHJRUNZ-CZUORRHYSA-N 2 0 299.434 1.655 10 0 CDAERP CON(C)C(=O)CCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000799143617 937379015 /nfs/dbraw/zinc/37/90/15/937379015.db2.gz QCOUEEQAGNVHGG-UKRRQHHQSA-N 2 0 295.427 1.345 10 0 CDAERP Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)nc(N)[nH+]1 ZINC000221035422 930990203 /nfs/dbraw/zinc/99/02/03/930990203.db2.gz WFDOFSNZNPTEDW-NWDGAFQWSA-N 2 0 261.373 1.288 10 0 CDAERP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+]CC2CCCC2)CC[N@@H+]1C ZINC001274036432 931135529 /nfs/dbraw/zinc/13/55/29/931135529.db2.gz NTEJUCPLZWJAOT-KRHNWMDASA-N 2 0 293.455 1.779 10 0 CDAERP CC(C)[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CCCF ZINC001319915949 931490900 /nfs/dbraw/zinc/49/09/00/931490900.db2.gz DFAZNKLPONYAFK-ZDUSSCGKSA-N 2 0 287.423 1.561 10 0 CDAERP OC1CC[NH+](CCC[NH2+]CCc2ccc(F)cc2)CC1 ZINC001320173173 931499878 /nfs/dbraw/zinc/49/98/78/931499878.db2.gz DQLREACDRDNWSP-UHFFFAOYSA-N 2 0 280.387 1.805 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]CC ZINC001274725329 931560725 /nfs/dbraw/zinc/56/07/25/931560725.db2.gz AUUDJPVUMXDEER-QWHCGFSZSA-N 2 0 255.406 1.365 10 0 CDAERP CC(C)[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001275827654 932070399 /nfs/dbraw/zinc/07/03/99/932070399.db2.gz KILWLOUKBOBIAD-ZIAGYGMSSA-N 2 0 269.433 1.704 10 0 CDAERP CC[C@@H](F)C[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001447771085 932093335 /nfs/dbraw/zinc/09/33/35/932093335.db2.gz RBAABTBHKFWBBM-HUUCEWRRSA-N 2 0 299.434 1.753 10 0 CDAERP CC(C)C[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001276003547 932225571 /nfs/dbraw/zinc/22/55/71/932225571.db2.gz SLROWURZVSJZAG-ZDUSSCGKSA-N 2 0 255.406 1.175 10 0 CDAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH2+]C ZINC000719726851 932244877 /nfs/dbraw/zinc/24/48/77/932244877.db2.gz BYZOCPZQANZCET-KGLIPLIRSA-N 2 0 267.417 1.461 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC001412144371 932284762 /nfs/dbraw/zinc/28/47/62/932284762.db2.gz FHMFBCKNNCEKFN-ZBFHGGJFSA-N 2 0 281.444 1.519 10 0 CDAERP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001412593851 932538091 /nfs/dbraw/zinc/53/80/91/932538091.db2.gz PVGWISCICFHQNF-QXSJWSMHSA-N 2 0 295.471 1.905 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1ccccc1O ZINC000924897027 932829867 /nfs/dbraw/zinc/82/98/67/932829867.db2.gz FPJMOAHOLHMEQY-MZBDJJRSSA-N 2 0 260.381 1.865 10 0 CDAERP C[C@@H]1[C@H](NC(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)CC[N@@H+]1C ZINC000925333589 932872274 /nfs/dbraw/zinc/87/22/74/932872274.db2.gz CPRWDGHQHJDQHJ-IIAWOOMASA-N 2 0 294.443 1.206 10 0 CDAERP C[C@@H](CN[C@H]1CC[NH2+]C12CCC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000925545664 932903391 /nfs/dbraw/zinc/90/33/91/932903391.db2.gz BLXBVFFJVLHVLQ-ILXRZTDVSA-N 2 0 265.445 1.981 10 0 CDAERP C[N@@H+]1CCC[C@@H](CN[C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000925554847 932903711 /nfs/dbraw/zinc/90/37/11/932903711.db2.gz DHLKJZCIVYZMPG-XGUBFFRZSA-N 2 0 265.445 1.694 10 0 CDAERP CCn1cnnc1CC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925572102 932908390 /nfs/dbraw/zinc/90/83/90/932908390.db2.gz IGIRBCDKRQIXSG-XBFCOCLRSA-N 2 0 277.416 1.207 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000925802944 932940072 /nfs/dbraw/zinc/94/00/72/932940072.db2.gz KIRFVPMFCFBSNO-QCODTGAPSA-N 3 0 265.445 1.694 10 0 CDAERP C[C@@H]1CC[C@@H]([NH2+]CCN2CCC([NH3+])CC2)[C@H](C)C1 ZINC000925813605 932942265 /nfs/dbraw/zinc/94/22/65/932942265.db2.gz XDOSDTNCEZZQFC-UMVBOHGHSA-N 2 0 253.434 1.824 10 0 CDAERP C[NH+](C)CC1CC[NH+](C[C@@H]2C[C@@H]3COC[C@H]3O2)CC1 ZINC000929283570 933220858 /nfs/dbraw/zinc/22/08/58/933220858.db2.gz SLPXNVIHMARJOV-QLFBSQMISA-N 2 0 268.401 1.064 10 0 CDAERP Cc1cc(C)c(C[NH+]2CCC(O)(C[NH+](C)C)CC2)c(C)n1 ZINC000931480032 933570744 /nfs/dbraw/zinc/57/07/44/933570744.db2.gz KACAXDOJDFVAPW-UHFFFAOYSA-N 2 0 291.439 1.895 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]CCC(F)(F)F)C1CC1 ZINC001276649161 940599588 /nfs/dbraw/zinc/59/95/88/940599588.db2.gz XLLGLQZLXXXAEQ-NSHDSACASA-N 2 0 295.349 1.375 10 0 CDAERP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC[S@](C)=O ZINC000400581290 940852790 /nfs/dbraw/zinc/85/27/90/940852790.db2.gz ZMFXQOXYXUROCZ-IIMJZQEZSA-N 2 0 294.464 1.865 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)[NH+](C)C2CC2)C1 ZINC001362019495 970782717 /nfs/dbraw/zinc/78/27/17/970782717.db2.gz KJJDDTUBJMPMRG-KBPBESRZSA-N 2 0 281.444 1.706 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC001362052620 970821995 /nfs/dbraw/zinc/82/19/95/970821995.db2.gz CTBJOOFIMCJARY-OCCSQVGLSA-N 2 0 287.473 1.128 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCCOC ZINC001276980816 941771058 /nfs/dbraw/zinc/77/10/58/941771058.db2.gz WTZPCRVLOREMOQ-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CCCCC[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001277060949 941893444 /nfs/dbraw/zinc/89/34/44/941893444.db2.gz VMIAKRVZXMDSBD-HNNXBMFYSA-N 2 0 293.455 1.757 10 0 CDAERP O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@H](C[NH2+]CCCF)C1 ZINC001277092658 941942718 /nfs/dbraw/zinc/94/27/18/941942718.db2.gz IUSHUPNGABKFFM-SHTZXODSSA-N 2 0 299.434 1.706 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC001362098310 970883300 /nfs/dbraw/zinc/88/33/00/970883300.db2.gz VHPCIBOWYXYTSP-GOEBONIOSA-N 2 0 293.455 1.804 10 0 CDAERP CC[NH2+]CC[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001280251351 942426110 /nfs/dbraw/zinc/42/61/10/942426110.db2.gz JQICPIJZNORIQG-ZDUSSCGKSA-N 2 0 255.406 1.176 10 0 CDAERP CC[NH2+]C1(CNC(=O)CCCC[NH+]2CCCC2)CCC1 ZINC001280549663 942461333 /nfs/dbraw/zinc/46/13/33/942461333.db2.gz WPXSNYLMODGPFU-UHFFFAOYSA-N 2 0 281.444 1.901 10 0 CDAERP COCCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001281930687 942634410 /nfs/dbraw/zinc/63/44/10/942634410.db2.gz VDUQJWZOTGOEGU-LSDHHAIUSA-N 2 0 297.443 1.040 10 0 CDAERP CCCC[N@H+](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001283325117 942877354 /nfs/dbraw/zinc/87/73/54/942877354.db2.gz JJUBBHVYEIDNFX-UHFFFAOYSA-N 2 0 269.433 1.661 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCCF)C(C)(C)C1 ZINC001284336247 943149647 /nfs/dbraw/zinc/14/96/47/943149647.db2.gz RNFCWBBHFXYSHD-CYBMUJFWSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC1CC1 ZINC001277863912 943885737 /nfs/dbraw/zinc/88/57/37/943885737.db2.gz SPYKGGZGSWTGHI-GXTWGEPZSA-N 2 0 267.417 1.317 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]CC[C@@H]1CCCO1 ZINC001277932511 944100540 /nfs/dbraw/zinc/10/05/40/944100540.db2.gz HJBIIMCDNZUCRA-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C(C)C ZINC001265103958 944230023 /nfs/dbraw/zinc/23/00/23/944230023.db2.gz CSCZCNPZDOUZPY-CYBMUJFWSA-N 2 0 255.406 1.317 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CC2)C1)[NH+](C)C ZINC001265566769 944431557 /nfs/dbraw/zinc/43/15/57/944431557.db2.gz NIKRSZCDMGBOPF-MJBXVCDLSA-N 2 0 267.417 1.364 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC1CCC([NH2+]CCCF)CC1 ZINC001265736169 944484901 /nfs/dbraw/zinc/48/49/01/944484901.db2.gz JSGQKLOTYYUOCC-YMAMQOFZSA-N 2 0 299.434 1.847 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001265823384 944526234 /nfs/dbraw/zinc/52/62/34/944526234.db2.gz HBJSAUUZNWYKSS-KBPBESRZSA-N 2 0 269.433 1.469 10 0 CDAERP Cc1nocc1C[NH+](C)CCCNC(=O)C[N@@H+](C)C(C)C ZINC001265978096 944610500 /nfs/dbraw/zinc/61/05/00/944610500.db2.gz ALLYYKBPSOXMPA-UHFFFAOYSA-N 2 0 296.415 1.261 10 0 CDAERP CCC[NH2+]C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001265986738 944616259 /nfs/dbraw/zinc/61/62/59/944616259.db2.gz LRYBZMCYAYQVOK-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001266145297 944713595 /nfs/dbraw/zinc/71/35/95/944713595.db2.gz PKVOHIITAMXAOT-UHFFFAOYSA-N 2 0 293.455 1.994 10 0 CDAERP C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC001362307426 971140483 /nfs/dbraw/zinc/14/04/83/971140483.db2.gz DEVCLLBAQQUGMR-IHRRRGAJSA-N 2 0 283.460 1.809 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001479241932 971272507 /nfs/dbraw/zinc/27/25/07/971272507.db2.gz GTEYFLZJYFWNHE-HNNXBMFYSA-N 2 0 283.460 1.907 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC001362493241 971335894 /nfs/dbraw/zinc/33/58/94/971335894.db2.gz MPBZQVWIQKDVFS-HOCLYGCPSA-N 2 0 281.444 1.519 10 0 CDAERP CCC[N@H+](CC)CCCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001479855097 971455288 /nfs/dbraw/zinc/45/52/88/971455288.db2.gz VIDRVXPEBXPJBH-AWEZNQCLSA-N 2 0 269.433 1.566 10 0 CDAERP CCC[N@H+](CC)CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001479856511 971454340 /nfs/dbraw/zinc/45/43/40/971454340.db2.gz WIFCSJOFTZOTCH-UHFFFAOYSA-N 2 0 283.460 1.957 10 0 CDAERP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](C(C)C)C1)[NH+](CC)CC ZINC001479963363 971514061 /nfs/dbraw/zinc/51/40/61/971514061.db2.gz BBRZZZVENJRULP-KGLIPLIRSA-N 2 0 269.433 1.706 10 0 CDAERP C[C@H](C[NH2+]CC1=CCCCC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001569030241 1169603142 /nfs/dbraw/zinc/60/31/42/1169603142.db2.gz JNBMAIXMSAGNMK-ZBFHGGJFSA-N 2 0 293.455 1.923 10 0 CDAERP C[C@H](C(=O)N1CCN2C[C@@H](F)C[C@H]2C1)[NH+]1CCCCCC1 ZINC001362734565 971569886 /nfs/dbraw/zinc/56/98/86/971569886.db2.gz BEUKGXDRUSQVCN-ILXRZTDVSA-N 2 0 297.418 1.506 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H](C)OC)C1 ZINC001480206879 971629038 /nfs/dbraw/zinc/62/90/38/971629038.db2.gz OWMHDTHYWQGYRD-BYNSBNAKSA-N 2 0 297.443 1.133 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+](CC2CCC2)C1 ZINC001480263344 971652431 /nfs/dbraw/zinc/65/24/31/971652431.db2.gz RPQSCUYIEZIWNV-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP CC[N@@H+]1CCN(C(=O)NCCCC[NH+](C)C2CC2)[C@@H](C)C1 ZINC001251723879 950773765 /nfs/dbraw/zinc/77/37/65/950773765.db2.gz OVELQKHQFLTGMK-AWEZNQCLSA-N 2 0 296.459 1.596 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]C(C)C ZINC001480471366 971745104 /nfs/dbraw/zinc/74/51/04/971745104.db2.gz FPGUNXUNVKFAHM-QWHCGFSZSA-N 2 0 255.406 1.364 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC001362943657 971749144 /nfs/dbraw/zinc/74/91/44/971749144.db2.gz LWXPFYVKFYZHAT-UONOGXRCSA-N 2 0 281.444 1.517 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+]Cc1ccsc1 ZINC001480564967 971786650 /nfs/dbraw/zinc/78/66/50/971786650.db2.gz GJHIIYPCTSLKLN-GFCCVEGCSA-N 2 0 283.441 1.684 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CCF)CC1 ZINC001325649386 954007792 /nfs/dbraw/zinc/00/77/92/954007792.db2.gz OWOYHTLIPFLKOY-RBSFLKMASA-N 2 0 299.434 1.562 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)NCCC[NH+]2CCCC2)C1 ZINC001290265627 954037284 /nfs/dbraw/zinc/03/72/84/954037284.db2.gz OSFQCENNWVEBFC-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP C[NH2+]C[C@H](C)CNC(=O)C[C@@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC001326002099 954177787 /nfs/dbraw/zinc/17/77/87/954177787.db2.gz SXDGCIAEYJZQOE-JOYOIKCWSA-N 2 0 298.818 1.405 10 0 CDAERP CC(C)C[NH2+]CC[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001326363059 954338717 /nfs/dbraw/zinc/33/87/17/954338717.db2.gz DXZDLDQWHXOIND-JKSUJKDBSA-N 2 0 295.471 1.812 10 0 CDAERP C[C@@H]1OCC[C@@H]1C[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001364508932 954709578 /nfs/dbraw/zinc/70/95/78/954709578.db2.gz CHZQKEIPJNEKOJ-UONOGXRCSA-N 2 0 282.428 1.644 10 0 CDAERP CC(C)C[N@H+](CCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001493443097 972052731 /nfs/dbraw/zinc/05/27/31/972052731.db2.gz CQNKEZHCQXIBGE-UHFFFAOYSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1 ZINC001491674155 955380164 /nfs/dbraw/zinc/38/01/64/955380164.db2.gz RFOBAQLNGAZFQT-DZGCQCFKSA-N 2 0 275.396 1.233 10 0 CDAERP C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC001364957954 955421638 /nfs/dbraw/zinc/42/16/38/955421638.db2.gz ZBZLPXPDMIBFCT-HUUCEWRRSA-N 2 0 293.455 1.850 10 0 CDAERP COCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+](C)C(C)C ZINC001421641843 955447979 /nfs/dbraw/zinc/44/79/79/955447979.db2.gz SXMOJYCCGHAEGK-GJZGRUSLSA-N 2 0 297.443 1.038 10 0 CDAERP CCCC[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001493667510 972097179 /nfs/dbraw/zinc/09/71/79/972097179.db2.gz REFDBFHRTBDHNL-OAHLLOKOSA-N 2 0 283.460 1.957 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](C[NH2+]CCC3CC3)C2)C1 ZINC001491856539 955472525 /nfs/dbraw/zinc/47/25/25/955472525.db2.gz NOCMQFSRDUQLFM-LSDHHAIUSA-N 2 0 279.428 1.176 10 0 CDAERP CC(C)[C@@H](C(=O)N1CC[C@H](C[NH2+]CCCF)C1)[NH+](C)C ZINC001491811235 955477697 /nfs/dbraw/zinc/47/76/97/955477697.db2.gz TWPNGJNTSLCBQJ-KGLIPLIRSA-N 2 0 287.423 1.370 10 0 CDAERP CN1CC[NH+](CC2(C)CC[NH+](CC3=NOCC3)CC2)CC1 ZINC001421689900 955484772 /nfs/dbraw/zinc/48/47/72/955484772.db2.gz MGFAGACYLITYSQ-UHFFFAOYSA-N 2 0 294.443 1.112 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CCCC2)CCC1 ZINC001421756674 955525953 /nfs/dbraw/zinc/52/59/53/955525953.db2.gz IHHSPPUBNWEPOW-OAHLLOKOSA-N 2 0 293.455 1.899 10 0 CDAERP CC(C)CC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001421827953 955571534 /nfs/dbraw/zinc/57/15/34/955571534.db2.gz QXMQYOLZHHCSRX-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H](C[NH2+]CC1CC2(CCC2)C1)N(C)C(=O)CC[NH+](C)C ZINC001421924813 955654288 /nfs/dbraw/zinc/65/42/88/955654288.db2.gz DBQKSRMWDCNEHV-CQSZACIVSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@H+](C)CCC(=O)NC1(C[NH2+]CC(C)C)CCOCC1 ZINC001422007554 955697490 /nfs/dbraw/zinc/69/74/90/955697490.db2.gz LJXCIZAIKXGYRE-UHFFFAOYSA-N 2 0 299.459 1.239 10 0 CDAERP CC(C)(O)[C@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001365269649 955801099 /nfs/dbraw/zinc/80/10/99/955801099.db2.gz DQJQBQFHYNBRSU-JKSUJKDBSA-N 2 0 298.471 1.706 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2[C@@H](CC[NH+]2CCCF)C1 ZINC001422250331 955889167 /nfs/dbraw/zinc/88/91/67/955889167.db2.gz SJNMUHOZXTYINE-GJZGRUSLSA-N 2 0 299.434 1.609 10 0 CDAERP C([C@@H]1C[C@]12CCOC2)[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001365328749 955903300 /nfs/dbraw/zinc/90/33/00/955903300.db2.gz INWDCNYQVYBTMK-YOEHRIQHSA-N 2 0 294.439 1.646 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)NC[C@H](C)[N@H+](C)C(C)C ZINC001422530184 956121241 /nfs/dbraw/zinc/12/12/41/956121241.db2.gz ZTZZBPBIAPGZFP-STQMWFEESA-N 2 0 275.412 1.511 10 0 CDAERP CC[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001422552178 956143903 /nfs/dbraw/zinc/14/39/03/956143903.db2.gz DVGMIRDRHMDBJG-BMFZPTHFSA-N 2 0 289.423 1.446 10 0 CDAERP C[NH2+][C@H](C)CCNC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC001329925343 956184007 /nfs/dbraw/zinc/18/40/07/956184007.db2.gz GSXNHSBGRHSDMI-BXUZGUMPSA-N 2 0 261.369 1.335 10 0 CDAERP CC[C@@H](C(=O)NC1(C[NH2+]C[C@@H](C)O)CCCCC1)[NH+](C)C ZINC001422681956 956250355 /nfs/dbraw/zinc/25/03/55/956250355.db2.gz DSXJILZGXZBLNO-KGLIPLIRSA-N 2 0 299.459 1.116 10 0 CDAERP CC[C@@H](C(=O)NCCC[N@H+](C)CCC(F)(F)F)[NH+](C)C ZINC001316851197 956289296 /nfs/dbraw/zinc/28/92/96/956289296.db2.gz RYHXQTRJULWAHV-NSHDSACASA-N 2 0 297.365 1.717 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1cccnc1 ZINC001422762016 956317077 /nfs/dbraw/zinc/31/70/77/956317077.db2.gz WEWVPYAHAXOJEW-ZDUSSCGKSA-N 2 0 278.400 1.016 10 0 CDAERP C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]CC1CCC1 ZINC001366291459 956716694 /nfs/dbraw/zinc/71/66/94/956716694.db2.gz QBUCFYJLTOYTQD-DZGCQCFKSA-N 2 0 281.444 1.755 10 0 CDAERP Cc1nc[nH]c1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCF ZINC001316708227 956744714 /nfs/dbraw/zinc/74/47/14/956744714.db2.gz MCLWHEXPNSZDJM-YPMHNXCESA-N 2 0 296.390 1.447 10 0 CDAERP C[NH+](C)CCC(=O)N1CCCC[C@]2(CC[N@H+](CCF)C2)C1 ZINC001423557065 956854269 /nfs/dbraw/zinc/85/42/69/956854269.db2.gz FTSNHNVMIMWIFV-MRXNPFEDSA-N 2 0 299.434 1.612 10 0 CDAERP CC[C@@H](C)C[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)CC)C[C@H]2C1 ZINC001423992087 957067094 /nfs/dbraw/zinc/06/70/94/957067094.db2.gz VOHDYLQZUKSJDG-OAGGEKHMSA-N 2 0 295.471 1.765 10 0 CDAERP CCCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCc2cncn2C1 ZINC001331492463 957100663 /nfs/dbraw/zinc/10/06/63/957100663.db2.gz VFEMPIBCHBCKPH-ZIAGYGMSSA-N 2 0 292.427 1.682 10 0 CDAERP CC(C)(C)CC[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001366704182 957127740 /nfs/dbraw/zinc/12/77/40/957127740.db2.gz SBODUJRASDFQKW-HNNXBMFYSA-N 2 0 295.471 1.957 10 0 CDAERP CCCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001366819972 957203554 /nfs/dbraw/zinc/20/35/54/957203554.db2.gz UXOQGEZRAONDMW-HZPDHXFCSA-N 2 0 293.455 1.661 10 0 CDAERP CCCC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001366848727 957223442 /nfs/dbraw/zinc/22/34/42/957223442.db2.gz BHGQHPYZXXOXKI-GJZGRUSLSA-N 2 0 281.444 1.566 10 0 CDAERP C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](C)[NH2+]Cc1nccs1 ZINC001424815329 957369707 /nfs/dbraw/zinc/36/97/07/957369707.db2.gz GFIXDAQSTVGHGL-VXGBXAGGSA-N 2 0 298.456 1.468 10 0 CDAERP CCN(C(=O)C[NH+]1CC[C@@H](C)C1)[C@H]1CC[N@H+](CCCF)C1 ZINC001367070950 957382840 /nfs/dbraw/zinc/38/28/40/957382840.db2.gz KXPVAFYZKUWZLP-CABCVRRESA-N 2 0 299.434 1.611 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001317301078 957411829 /nfs/dbraw/zinc/41/18/29/957411829.db2.gz SVJFNMNTFKDESV-LSDHHAIUSA-N 2 0 281.444 1.851 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]CC2CC2)C1 ZINC001317356313 957435944 /nfs/dbraw/zinc/43/59/44/957435944.db2.gz NDDCVIDRFNAURX-UONOGXRCSA-N 2 0 267.417 1.365 10 0 CDAERP CCCC[C@H](C[NH2+]C(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001425182160 957482651 /nfs/dbraw/zinc/48/26/51/957482651.db2.gz AVXKKLQGHYAGEB-CQSZACIVSA-N 2 0 281.444 1.755 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1C[C@H](C[NH2+]C(C)C)C1 ZINC001425394841 957525645 /nfs/dbraw/zinc/52/56/45/957525645.db2.gz XKPCKMAAHWFQMG-IHRRRGAJSA-N 2 0 287.423 1.559 10 0 CDAERP CC1CC(C[NH2+]C[C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)C1 ZINC001425419106 957529981 /nfs/dbraw/zinc/52/99/81/957529981.db2.gz NQAFNVYHZOVYQN-LTDGRNPRSA-N 2 0 281.444 1.469 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001425681234 957599235 /nfs/dbraw/zinc/59/92/35/957599235.db2.gz OFFWMUOQRGJGCB-GJZGRUSLSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]C/C=C/Cl)CN1C(=O)C[NH+]1CCCC1 ZINC001425914356 957641576 /nfs/dbraw/zinc/64/15/76/957641576.db2.gz MEOOSNJUJYZXDH-IJWDBEHRSA-N 2 0 285.819 1.414 10 0 CDAERP CC(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC[NH+](C)C ZINC001494681700 972287228 /nfs/dbraw/zinc/28/72/28/972287228.db2.gz PWEMJHJBLXGUHD-GJZGRUSLSA-N 2 0 281.444 1.659 10 0 CDAERP CN(C(=O)CC[NH+](C)C)C1CC([NH2+]Cc2ccns2)C1 ZINC001426215435 957846410 /nfs/dbraw/zinc/84/64/10/957846410.db2.gz CTTJUDUJGPBNLR-UHFFFAOYSA-N 2 0 296.440 1.174 10 0 CDAERP CC[C@H](F)C[NH2+]C1CC(N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001426243830 957860125 /nfs/dbraw/zinc/86/01/25/957860125.db2.gz GWFBDQXZKCBPBD-HSBZDZAISA-N 2 0 287.423 1.654 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)(C)C ZINC001332841107 957879681 /nfs/dbraw/zinc/87/96/81/957879681.db2.gz HESYAJGZWSWTNV-QWHCGFSZSA-N 2 0 269.433 1.611 10 0 CDAERP COCC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001367540258 958117398 /nfs/dbraw/zinc/11/73/98/958117398.db2.gz FYKLQYKQMUSQBR-GJZGRUSLSA-N 2 0 297.443 1.040 10 0 CDAERP CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001319230791 958447004 /nfs/dbraw/zinc/44/70/04/958447004.db2.gz BYQJMEGITRZWNE-AVGNSLFASA-N 2 0 255.406 1.079 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001368163966 958681908 /nfs/dbraw/zinc/68/19/08/958681908.db2.gz UCNPMODGYGGSIQ-ZFWWWQNUSA-N 2 0 287.423 1.657 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@]1(C)CCC[N@H+](CCF)C1 ZINC001368230237 958718417 /nfs/dbraw/zinc/71/84/17/958718417.db2.gz PYRXVHSYURVNHX-AWEZNQCLSA-N 2 0 273.396 1.126 10 0 CDAERP CC(C)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001368349359 958780594 /nfs/dbraw/zinc/78/05/94/958780594.db2.gz XBMZZQCGFRPRQV-HUUCEWRRSA-N 2 0 283.460 1.809 10 0 CDAERP CC[N@@H+]1CCC[C@H](CNC(=[NH2+])NC[C@H]2CCCS2)C1 ZINC001334086624 958821011 /nfs/dbraw/zinc/82/10/11/958821011.db2.gz HOJKWLIKEJFLJO-CHWSQXEVSA-N 2 0 284.473 1.728 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](CC)[NH2+]CC)C1 ZINC001495043346 972386869 /nfs/dbraw/zinc/38/68/69/972386869.db2.gz XWBJZACVKISTLX-KGLIPLIRSA-N 2 0 269.433 1.613 10 0 CDAERP CN(CCC[N@H+](C)CCF)C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001368551182 958959329 /nfs/dbraw/zinc/95/93/29/958959329.db2.gz ZEWWXCBAGDTDGY-GJZGRUSLSA-N 2 0 299.434 1.753 10 0 CDAERP CN(CCC[N@H+](C)CC1CCC1)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001368564028 958972978 /nfs/dbraw/zinc/97/29/78/958972978.db2.gz WZSFIHATWGJMDP-MRXNPFEDSA-N 2 0 295.471 1.909 10 0 CDAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC(C)([NH2+]CCF)CC1 ZINC001368667736 959027373 /nfs/dbraw/zinc/02/73/73/959027373.db2.gz CHPWEJAMIDITLS-KBPBESRZSA-N 2 0 299.434 1.799 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC(C)([NH2+]CCF)CC1 ZINC001368667738 959028494 /nfs/dbraw/zinc/02/84/94/959028494.db2.gz CHPWEJAMIDITLS-ZIAGYGMSSA-N 2 0 299.434 1.799 10 0 CDAERP Cc1cnc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[NH+](C)C)s1 ZINC001368867901 959207368 /nfs/dbraw/zinc/20/73/68/959207368.db2.gz ODCCEEJUKNAILR-NWDGAFQWSA-N 2 0 298.456 1.386 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CCF ZINC001371205390 972417614 /nfs/dbraw/zinc/41/76/14/972417614.db2.gz SSCIBBALFRAKJR-JSGCOSHPSA-N 2 0 285.407 1.457 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001369176543 959503023 /nfs/dbraw/zinc/50/30/23/959503023.db2.gz DARZEYFEVGGZLV-YIYPIFLZSA-N 2 0 285.407 1.171 10 0 CDAERP CC[C@H](C)C[NH2+][C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001369296059 959613416 /nfs/dbraw/zinc/61/34/16/959613416.db2.gz WYXNGRKZOUGWPL-KBPBESRZSA-N 2 0 281.444 1.565 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CCC2CC2)C[C@@H]1C ZINC001369393102 959660781 /nfs/dbraw/zinc/66/07/81/959660781.db2.gz BHTKIFKBNAOPSE-DZGCQCFKSA-N 2 0 281.444 1.707 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]C/C=C\Cl)C(C)(C)C1 ZINC001369449425 959690618 /nfs/dbraw/zinc/69/06/18/959690618.db2.gz SIEZEFFQIJUSNE-WFMXKNRHSA-N 2 0 299.846 1.660 10 0 CDAERP CC(C)C[C@@H](C)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001370020130 959948692 /nfs/dbraw/zinc/94/86/92/959948692.db2.gz SAWMELZRSFLHDF-HUUCEWRRSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@@H](C[NH2+]C/C=C/Cl)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001322042192 960066260 /nfs/dbraw/zinc/06/62/60/960066260.db2.gz NMBKYSSYSFCQML-UHOOHFNOSA-N 2 0 273.808 1.175 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1 ZINC001370523739 960136790 /nfs/dbraw/zinc/13/67/90/960136790.db2.gz ULYINOVYRLPXBF-SHTZXODSSA-N 2 0 281.444 1.755 10 0 CDAERP Cc1ncsc1C[NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001370519969 960137755 /nfs/dbraw/zinc/13/77/55/960137755.db2.gz PIKKQOSQBJRJKQ-HAQNSBGRSA-N 2 0 296.440 1.140 10 0 CDAERP CCCC[N@@H+]1CCC[C@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001370785804 960201500 /nfs/dbraw/zinc/20/15/00/960201500.db2.gz QXFVOLCJPKVJFM-HZPDHXFCSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](CC3CC(C)C3)C[C@H]21 ZINC001371042222 960259159 /nfs/dbraw/zinc/25/91/59/960259159.db2.gz RKFULILBOAKLQB-GQWUXDJYSA-N 2 0 293.455 1.419 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH2+]Cc1cscn1 ZINC001322843426 960334941 /nfs/dbraw/zinc/33/49/41/960334941.db2.gz BCLJLLKPYXFPQX-UHFFFAOYSA-N 2 0 298.456 1.421 10 0 CDAERP CCN(C(=O)CC[N@@H+]1CC[C@@H](F)C1)C1CC[NH+](C)CC1 ZINC001434012784 960876643 /nfs/dbraw/zinc/87/66/43/960876643.db2.gz IZIJDOMKBJNYNV-CYBMUJFWSA-N 2 0 285.407 1.363 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC001434117759 961000475 /nfs/dbraw/zinc/00/04/75/961000475.db2.gz BMEADFIRZZIXNR-RFQIPJPRSA-N 2 0 281.444 1.704 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](C[C@H](C)CC)[C@@H]1C ZINC001418820540 961066153 /nfs/dbraw/zinc/06/61/53/961066153.db2.gz OAUJDROSJXVEQP-KFWWJZLASA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N1CCC(C)([NH+]2CCC2)CC1 ZINC001434326430 961167446 /nfs/dbraw/zinc/16/74/46/961167446.db2.gz SRDSQPLNFIHGPA-AWEZNQCLSA-N 2 0 281.444 1.661 10 0 CDAERP CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CCCF)[NH+](C)C ZINC001324264122 961271142 /nfs/dbraw/zinc/27/11/42/961271142.db2.gz QWIWNOTWHJRLGY-KGLIPLIRSA-N 2 0 287.423 1.513 10 0 CDAERP CC(C)C[NH+]1CC(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001419041426 961290271 /nfs/dbraw/zinc/29/02/71/961290271.db2.gz CLFKVOSORSSXCN-KBPBESRZSA-N 2 0 281.444 1.563 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001419082365 961348781 /nfs/dbraw/zinc/34/87/81/961348781.db2.gz XGODAZHJILDFPE-KGLIPLIRSA-N 2 0 285.407 1.267 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[NH2+]CC(C)C ZINC001419187846 961485845 /nfs/dbraw/zinc/48/58/45/961485845.db2.gz YFADKACZZFJEGT-GJZGRUSLSA-N 2 0 283.460 2.000 10 0 CDAERP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]C/C=C/Cl ZINC001419277807 961574842 /nfs/dbraw/zinc/57/48/42/961574842.db2.gz CZRPWCUDAHGVKE-BTDICHCPSA-N 2 0 273.808 1.319 10 0 CDAERP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)[NH2+]CC1CC1 ZINC001419276747 961575910 /nfs/dbraw/zinc/57/59/10/961575910.db2.gz VKMBFHZOLUWZJK-LSDHHAIUSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)CC[N@@H+]1CCC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001419547950 961805652 /nfs/dbraw/zinc/80/56/52/961805652.db2.gz CWZGQNBZLLKOKB-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP C[N@H+](CCF)C[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001436841038 962454299 /nfs/dbraw/zinc/45/42/99/962454299.db2.gz MBJBUZIBTQLTLJ-HUUCEWRRSA-N 2 0 299.434 1.611 10 0 CDAERP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC1CCCC1 ZINC001437144081 962678034 /nfs/dbraw/zinc/67/80/34/962678034.db2.gz IKFIQDHTGXZCJW-ZDUSSCGKSA-N 2 0 281.444 1.755 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001420360977 962787624 /nfs/dbraw/zinc/78/76/24/962787624.db2.gz VQWIERHTGPIOBD-KGLIPLIRSA-N 2 0 299.459 1.238 10 0 CDAERP CCc1onc(C)c1C[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C ZINC001420464469 962937240 /nfs/dbraw/zinc/93/72/40/962937240.db2.gz VWBYMLPSOJVTSZ-NSHDSACASA-N 2 0 296.415 1.091 10 0 CDAERP C[NH+](C)CCCC(=O)NCC1C[NH+](CCC(C)(C)C)C1 ZINC001438135834 963338350 /nfs/dbraw/zinc/33/83/50/963338350.db2.gz ULCBRPYDLJBPDZ-UHFFFAOYSA-N 2 0 283.460 1.812 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH2+]CC(C)C ZINC001438303143 963412102 /nfs/dbraw/zinc/41/21/02/963412102.db2.gz UOADYWQEVAMAGT-QLFBSQMISA-N 2 0 283.460 1.857 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccns1 ZINC001438371918 963433055 /nfs/dbraw/zinc/43/30/55/963433055.db2.gz RVJOUIDJIOEPCO-NEPJUHHUSA-N 2 0 296.440 1.079 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001438441520 963448546 /nfs/dbraw/zinc/44/85/46/963448546.db2.gz VMCXRYMUZJDHEM-IHRRRGAJSA-N 2 0 287.423 1.703 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1CC[C@H]([NH2+]CCF)CC1 ZINC001438440719 963449027 /nfs/dbraw/zinc/44/90/27/963449027.db2.gz SLDYEQRQRLXFNE-KKUMJFAQSA-N 2 0 299.434 1.847 10 0 CDAERP CC(C)C[NH+]1CC(N(C)C(=O)CCC[NH+]2CCCC2)C1 ZINC001421093467 963449965 /nfs/dbraw/zinc/44/99/65/963449965.db2.gz QRAQXFYOIBTPRY-UHFFFAOYSA-N 2 0 281.444 1.661 10 0 CDAERP C[C@@H]([NH2+]CC1CCC1)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001438852905 963574183 /nfs/dbraw/zinc/57/41/83/963574183.db2.gz RQHGBFDAKVYOJR-GDBMZVCRSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)C[NH2+]CC(C)C)C1 ZINC001439147221 963655705 /nfs/dbraw/zinc/65/57/05/963655705.db2.gz HXFZXENPBGXNFQ-CABCVRRESA-N 2 0 283.460 1.859 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001440338305 963992953 /nfs/dbraw/zinc/99/29/53/963992953.db2.gz GRLDRPVJYGBCKF-MGPQQGTHSA-N 2 0 299.434 1.703 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH+](C)C(C)C)C1 ZINC001440963877 964294237 /nfs/dbraw/zinc/29/42/37/964294237.db2.gz SECRUSDYGFAOMW-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP CC[NH2+][C@@H](CCN(C)C(=O)C[N@H+](C)C(C)C)C(C)C ZINC001441095645 964361320 /nfs/dbraw/zinc/36/13/20/964361320.db2.gz CIWDUHOAZHBYGT-AWEZNQCLSA-N 2 0 271.449 1.809 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[NH+](C[C@H](C)OC)CC1(C)C ZINC001441254063 964438233 /nfs/dbraw/zinc/43/82/33/964438233.db2.gz CZTIJYNRTLGCTD-KBPBESRZSA-N 2 0 299.459 1.190 10 0 CDAERP O=C(CC[N@H+]1CC[C@H](F)C1)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC001441547078 964582549 /nfs/dbraw/zinc/58/25/49/964582549.db2.gz NHQKYESUHORXCH-MJBXVCDLSA-N 2 0 283.391 1.163 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]C(C)C ZINC001441547902 964583131 /nfs/dbraw/zinc/58/31/31/964583131.db2.gz PTFGGXBKTVQRSG-CABCVRRESA-N 2 0 283.460 1.952 10 0 CDAERP CCC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CCC)CC1(C)C ZINC001441929469 964793511 /nfs/dbraw/zinc/79/35/11/964793511.db2.gz HRMGMKRGGNEDRC-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)CC[NH+](C)C)C1 ZINC001441954468 964807111 /nfs/dbraw/zinc/80/71/11/964807111.db2.gz BRIXBENPZWYEJW-STQMWFEESA-N 2 0 255.406 1.032 10 0 CDAERP CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1cnc(C)o1)[NH+](C)C ZINC001442322076 964985064 /nfs/dbraw/zinc/98/50/64/964985064.db2.gz QAEXKEUSCXJBOG-RISCZKNCSA-N 2 0 296.415 1.308 10 0 CDAERP CN(CCC[NH+](C)C)CCNC(=S)NCC1CCC1 ZINC001346689159 965214620 /nfs/dbraw/zinc/21/46/20/965214620.db2.gz SLEAQNGEYAWEAI-UHFFFAOYSA-N 2 0 286.489 1.134 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCC1CC1 ZINC001443915411 965664514 /nfs/dbraw/zinc/66/45/14/965664514.db2.gz JJFXVQFZPXPSGB-VHDGCEQUSA-N 2 0 281.444 1.611 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCC1CC1 ZINC001443952399 965683235 /nfs/dbraw/zinc/68/32/35/965683235.db2.gz ZJJDAOPRFICBJN-HUUCEWRRSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]C/C(Cl)=C\Cl ZINC001443981393 965698465 /nfs/dbraw/zinc/69/84/65/965698465.db2.gz CERXHEFOJMQZLV-HUYFXPKMSA-N 2 0 296.242 1.742 10 0 CDAERP Cc1cccnc1C[NH2+]C[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001444377470 965811953 /nfs/dbraw/zinc/81/19/53/965811953.db2.gz GHHRTEIMJVLMIW-CYBMUJFWSA-N 2 0 292.427 1.184 10 0 CDAERP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccnc(F)c2)CC1 ZINC001348089388 965817278 /nfs/dbraw/zinc/81/72/78/965817278.db2.gz KOAISLHHIKGXBE-UHFFFAOYSA-N 2 0 281.375 1.546 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[NH+](CCCF)C2 ZINC001446920166 966658049 /nfs/dbraw/zinc/65/80/49/966658049.db2.gz CJWGIFFSBHTTME-ZNMIVQPWSA-N 2 0 299.434 1.657 10 0 CDAERP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)CC1CC(C)C1 ZINC001448147962 967016013 /nfs/dbraw/zinc/01/60/13/967016013.db2.gz MUNLXUBAESQSHV-SHARSMKWSA-N 2 0 281.444 1.565 10 0 CDAERP CC[N@@H+]1CC[C@@]2(NC(=O)CCCn3ccnc3)CCC[C@H]12 ZINC001449011688 967331798 /nfs/dbraw/zinc/33/17/98/967331798.db2.gz JTUQQBGYSVFBPA-HOCLYGCPSA-N 2 0 290.411 1.796 10 0 CDAERP CO[C@@H](C)C[N@H+](C)CCN(C(=O)[C@@H]1CC[NH+](C)C1)C(C)C ZINC001449280763 967419148 /nfs/dbraw/zinc/41/91/48/967419148.db2.gz PTDTUWDFMVWBBQ-LSDHHAIUSA-N 2 0 299.459 1.142 10 0 CDAERP CC[N@@H+]1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)[C@@H](C)C1 ZINC001449330108 967434228 /nfs/dbraw/zinc/43/42/28/967434228.db2.gz FCJNCZIZXQHWJL-RRFJBIMHSA-N 2 0 281.444 1.659 10 0 CDAERP CC[NH+](CC)CC[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001529415286 969040265 /nfs/dbraw/zinc/04/02/65/969040265.db2.gz NGOAWKLKHWIJPG-ZDUSSCGKSA-N 2 0 257.422 1.563 10 0 CDAERP Cc1ccccc1[C@@H](O)C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000848675843 969232271 /nfs/dbraw/zinc/23/22/71/969232271.db2.gz DSVSZGVHAAAPGE-LZWOXQAQSA-N 2 0 262.397 1.958 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)C1 ZINC001469333632 970241848 /nfs/dbraw/zinc/24/18/48/970241848.db2.gz RAXXNJKKFCDLPN-RRFJBIMHSA-N 2 0 295.471 1.952 10 0 CDAERP C[NH+](C)CCCCC(=O)NCC12CCC[NH+](CCC1)C2 ZINC001521752619 970349667 /nfs/dbraw/zinc/34/96/67/970349667.db2.gz YWGGCYUHSSXXNL-UHFFFAOYSA-N 2 0 281.444 1.711 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CCC[C@H]([NH+](C)C)C2)C1 ZINC001361755973 970495574 /nfs/dbraw/zinc/49/55/74/970495574.db2.gz ZGGCYYWTYUOCLC-KFWWJZLASA-N 2 0 281.444 1.659 10 0 CDAERP C[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001361783991 970527096 /nfs/dbraw/zinc/52/70/96/970527096.db2.gz MYGKUXRJFBIDFO-HZPDHXFCSA-N 2 0 295.471 1.907 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001495578217 972542688 /nfs/dbraw/zinc/54/26/88/972542688.db2.gz MULVGKNNZZRKHJ-MJBXVCDLSA-N 2 0 287.423 1.655 10 0 CDAERP C[N@H+](CCCF)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001371703666 972602250 /nfs/dbraw/zinc/60/22/50/972602250.db2.gz LNDJWARHOPUUEJ-AWEZNQCLSA-N 2 0 285.407 1.365 10 0 CDAERP CCCC[NH2+]C[C@@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001495744949 972619864 /nfs/dbraw/zinc/61/98/64/972619864.db2.gz ZSOGGMYPBTVQBL-ZIAGYGMSSA-N 2 0 269.433 1.470 10 0 CDAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CCF ZINC001495753491 972621482 /nfs/dbraw/zinc/62/14/82/972621482.db2.gz NTSKIFXITPGFAU-ZIAGYGMSSA-N 2 0 287.423 1.561 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)N(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001496085497 972791354 /nfs/dbraw/zinc/79/13/54/972791354.db2.gz YOZDHYOFJIGOMF-GJZGRUSLSA-N 2 0 283.460 1.975 10 0 CDAERP C[C@@H](C[NH2+]C/C=C/Cl)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001496143191 972815081 /nfs/dbraw/zinc/81/50/81/972815081.db2.gz XNYDAXPEPRRWIG-KELULYIISA-N 2 0 287.835 1.660 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CC(C)C ZINC001372326159 972917842 /nfs/dbraw/zinc/91/78/42/972917842.db2.gz ONAMGSNJEIAFFO-OAHLLOKOSA-N 2 0 281.444 1.422 10 0 CDAERP CCC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C(C)C ZINC001496572844 972976647 /nfs/dbraw/zinc/97/66/47/972976647.db2.gz DQHTXNJGSJSVJP-ZIAGYGMSSA-N 2 0 269.433 1.611 10 0 CDAERP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)CC1CC1 ZINC001372704548 973091620 /nfs/dbraw/zinc/09/16/20/973091620.db2.gz HWNBPZNGFSQIDY-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001417642022 973227205 /nfs/dbraw/zinc/22/72/05/973227205.db2.gz SFZRDUBBNYVIBE-SOUVJXGZSA-N 2 0 281.444 1.707 10 0 CDAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CC[C@H](F)C1 ZINC001417663587 973255480 /nfs/dbraw/zinc/25/54/80/973255480.db2.gz RHCRADCJCUTKFT-ZNMIVQPWSA-N 2 0 297.418 1.506 10 0 CDAERP C[C@@H](CC[NH2+]C/C=C/Cl)NC(=O)CC[NH+](C)C ZINC001497265346 973255835 /nfs/dbraw/zinc/25/58/35/973255835.db2.gz UOPLVKWCSRJVFL-ZPMKCOPCSA-N 2 0 261.797 1.175 10 0 CDAERP CC(C)CC[NH+]1CC(CNC(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001373541944 973485032 /nfs/dbraw/zinc/48/50/32/973485032.db2.gz ACJFQDIHGGJYSF-ZDUSSCGKSA-N 2 0 292.427 1.682 10 0 CDAERP C[C@H](C[NH2+]C/C=C/Cl)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001497818914 973537401 /nfs/dbraw/zinc/53/74/01/973537401.db2.gz YFDNUSNRXHYHQU-YUBFOPJASA-N 2 0 273.808 1.173 10 0 CDAERP Cc1cncc(C[NH2+][C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)c1 ZINC001418064395 973563825 /nfs/dbraw/zinc/56/38/25/973563825.db2.gz LMVBCXRRIRIUEW-SHTZXODSSA-N 2 0 290.411 1.079 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001498066112 973656341 /nfs/dbraw/zinc/65/63/41/973656341.db2.gz FNMMLTPNIHVKKO-STQMWFEESA-N 2 0 285.407 1.457 10 0 CDAERP CC(C)[NH2+]C[C@](C)(NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001373872864 973674666 /nfs/dbraw/zinc/67/46/66/973674666.db2.gz COVVNIHVZYXBON-WBVHZDCISA-N 2 0 293.455 1.611 10 0 CDAERP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]C/C=C\Cl)[NH+](C)C ZINC001498106952 973684351 /nfs/dbraw/zinc/68/43/51/973684351.db2.gz VIEXGPONMWKUBV-QHDQMSKJSA-N 2 0 275.824 1.419 10 0 CDAERP CCCCC[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001498190069 973733110 /nfs/dbraw/zinc/73/31/10/973733110.db2.gz KVASJBDHJREHNN-STQMWFEESA-N 2 0 255.406 1.223 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@H](C[NH2+]Cc2nccs2)C1 ZINC001418364064 973766298 /nfs/dbraw/zinc/76/62/98/973766298.db2.gz WMUOFSIIUBOFLB-GFCCVEGCSA-N 2 0 296.440 1.033 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+]C/C(Cl)=C/Cl ZINC001374080487 973767685 /nfs/dbraw/zinc/76/76/85/973767685.db2.gz XWNUJDHHEDNESU-OYUORYAFSA-N 2 0 296.242 1.599 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)[C@H](C)C[NH2+]Cc1cnc(C)o1 ZINC001374307552 973885501 /nfs/dbraw/zinc/88/55/01/973885501.db2.gz QOYKLSHURIQYCT-GFCCVEGCSA-N 2 0 296.415 1.261 10 0 CDAERP C[C@H](c1ccccc1)[N@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001418520273 973925554 /nfs/dbraw/zinc/92/55/54/973925554.db2.gz PKTPRCGQCZQFCY-OAHLLOKOSA-N 2 0 289.423 1.891 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCN(C)C(=O)CCc1nccn1C ZINC001374516829 973990804 /nfs/dbraw/zinc/99/08/04/973990804.db2.gz YTMLEZMPSACAIZ-CQSZACIVSA-N 2 0 294.443 1.789 10 0 CDAERP C[C@H](C[NH2+]CC1CCCC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001374832834 974142896 /nfs/dbraw/zinc/14/28/96/974142896.db2.gz GZGVDGGKALHJHL-HIFRSBDPSA-N 2 0 281.444 1.613 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001499610656 974275310 /nfs/dbraw/zinc/27/53/10/974275310.db2.gz REILQSBRJLDWME-INIZCTEOSA-N 2 0 279.428 1.273 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCF ZINC001499891277 974326218 /nfs/dbraw/zinc/32/62/18/974326218.db2.gz BHYDGPCOLMRHSU-UONOGXRCSA-N 2 0 285.407 1.409 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@@H](F)CC)CC1 ZINC001375425286 974378429 /nfs/dbraw/zinc/37/84/29/974378429.db2.gz OBTZZMSDPUIAJF-KBPBESRZSA-N 2 0 299.434 1.847 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001375462454 974392195 /nfs/dbraw/zinc/39/21/95/974392195.db2.gz XLBPHUZMEJKRGR-KBPBESRZSA-N 2 0 299.434 1.609 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001375462471 974392723 /nfs/dbraw/zinc/39/27/23/974392723.db2.gz XLBPHUZMEJKRGR-ZIAGYGMSSA-N 2 0 299.434 1.609 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@]1(C)CC[NH+](CC2CC2)C1 ZINC001500228483 974407035 /nfs/dbraw/zinc/40/70/35/974407035.db2.gz WLBZPDYOFNDUID-DOTOQJQBSA-N 2 0 293.455 1.851 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001375519992 974411103 /nfs/dbraw/zinc/41/11/03/974411103.db2.gz AMJWQEISBIJCLR-AJNGGQMLSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001375575460 974428737 /nfs/dbraw/zinc/42/87/37/974428737.db2.gz WTTCQDYSGZAHEY-GOOCMWNKSA-N 2 0 281.444 1.848 10 0 CDAERP CC(C)OCC[NH2+]C[C@@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001500375989 974429886 /nfs/dbraw/zinc/42/98/86/974429886.db2.gz DHSSTURXVMRTJV-MRXNPFEDSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001376062821 974549532 /nfs/dbraw/zinc/54/95/32/974549532.db2.gz WZMOWZOQLHCOKT-ZIAGYGMSSA-N 2 0 299.434 1.657 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CCCF)C1 ZINC001501582581 974602331 /nfs/dbraw/zinc/60/23/31/974602331.db2.gz VZDIDDPXBDBFSA-GJZGRUSLSA-N 2 0 299.434 1.659 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001376460582 974668359 /nfs/dbraw/zinc/66/83/59/974668359.db2.gz FUCUXOWOKMCKRN-MEBFFEOJSA-N 2 0 285.407 1.312 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001376504871 974678360 /nfs/dbraw/zinc/67/83/60/974678360.db2.gz VGNIDZZPKGHQNE-RWMBFGLXSA-N 2 0 271.380 1.067 10 0 CDAERP COCCC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)CC1 ZINC001502148283 974706635 /nfs/dbraw/zinc/70/66/35/974706635.db2.gz YMPYVJTVJCHOGK-HNNXBMFYSA-N 2 0 299.459 1.334 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1cccc(C)c1)[NH+](C)C ZINC001376763963 974760456 /nfs/dbraw/zinc/76/04/56/974760456.db2.gz NXQUQPIOFKBESH-GOEBONIOSA-N 2 0 291.439 1.930 10 0 CDAERP CC[C@@H](F)C[NH2+][C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001376790620 974770236 /nfs/dbraw/zinc/77/02/36/974770236.db2.gz IFAOTDSJOKIXSM-NWDGAFQWSA-N 2 0 273.396 1.171 10 0 CDAERP C[C@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]Cc1ccns1 ZINC001505754390 974982401 /nfs/dbraw/zinc/98/24/01/974982401.db2.gz RTGQYDZCDVLEJQ-RYUDHWBXSA-N 2 0 296.440 1.222 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)[NH2+]CCF)CC[N@@H+]1C ZINC001377434046 975026437 /nfs/dbraw/zinc/02/64/37/975026437.db2.gz XRBZQTVAKDRZKZ-RWMBFGLXSA-N 2 0 273.396 1.171 10 0 CDAERP CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001377482348 975046754 /nfs/dbraw/zinc/04/67/54/975046754.db2.gz XXIGATPNNHWISP-GJZGRUSLSA-N 2 0 281.444 1.565 10 0 CDAERP CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1 ZINC001377618696 975090444 /nfs/dbraw/zinc/09/04/44/975090444.db2.gz GLDDAYWFQKMABL-BMFZPTHFSA-N 2 0 289.423 1.794 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccns1 ZINC001377877083 975164219 /nfs/dbraw/zinc/16/42/19/975164219.db2.gz FECMQHADRFYLSS-NEPJUHHUSA-N 2 0 298.456 1.468 10 0 CDAERP CC[C@@H](C(=O)NC1(C[NH2+]CCF)CCCCC1)[NH+](C)C ZINC001506522425 975173461 /nfs/dbraw/zinc/17/34/61/975173461.db2.gz NQJUSBYMARCQPI-ZDUSSCGKSA-N 2 0 287.423 1.705 10 0 CDAERP CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001506853814 975235315 /nfs/dbraw/zinc/23/53/15/975235315.db2.gz KMTUTGFWEAQNOE-KKUMJFAQSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCCCCF ZINC001507156412 975357375 /nfs/dbraw/zinc/35/73/75/975357375.db2.gz XWPAEWPKBSGDHT-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP CCC[NH+]1CCC(CCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001378482503 975360745 /nfs/dbraw/zinc/36/07/45/975360745.db2.gz ITNBJKNCHCGHNJ-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)=CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC001507290656 975401014 /nfs/dbraw/zinc/40/10/14/975401014.db2.gz PBEVSEKCGYABGH-GDBMZVCRSA-N 2 0 293.455 1.873 10 0 CDAERP C[C@H]1C[C@H]([NH2+]Cc2ccccn2)CN1C(=O)CC[NH+](C)C ZINC001507316886 975413582 /nfs/dbraw/zinc/41/35/82/975413582.db2.gz FVEUGECCOLKSMC-ZFWWWQNUSA-N 2 0 290.411 1.112 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001507327892 975416979 /nfs/dbraw/zinc/41/69/79/975416979.db2.gz LONPNTDLSVQESN-KBPBESRZSA-N 2 0 279.428 1.461 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001378810770 975501718 /nfs/dbraw/zinc/50/17/18/975501718.db2.gz LKRQTYQUJVGPEX-ZIAGYGMSSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1[NH2+]C/C=C/Cl ZINC001378893401 975534053 /nfs/dbraw/zinc/53/40/53/975534053.db2.gz BEQTWZICGRFKBP-IOKDEZFASA-N 2 0 299.846 1.661 10 0 CDAERP CC(C)C[NH+]1CC(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001404944796 975551052 /nfs/dbraw/zinc/55/10/52/975551052.db2.gz HFPJFCVMAVIKEI-MRXNPFEDSA-N 2 0 295.471 1.811 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@H]([NH2+]C(C)C)C(C)C)CC[N@@H+]1C ZINC001378971687 975570267 /nfs/dbraw/zinc/57/02/67/975570267.db2.gz QJWZRLHFQCFPKZ-SOUVJXGZSA-N 2 0 283.460 1.856 10 0 CDAERP C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1C[NH2+]CC1CCC1 ZINC001401310994 975577226 /nfs/dbraw/zinc/57/72/26/975577226.db2.gz MOBAOQARLSIRQJ-GOEBONIOSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001388744349 975578134 /nfs/dbraw/zinc/57/81/34/975578134.db2.gz MNJNTVGKEPOJBX-MGPQQGTHSA-N 2 0 285.407 1.315 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001405108052 975627924 /nfs/dbraw/zinc/62/79/24/975627924.db2.gz FNPHFGJWAPAKJB-KBPBESRZSA-N 2 0 299.434 1.609 10 0 CDAERP CC(C)[N@H+]1CC=C(CNC(=O)CCC[NH+](C)C)CC1 ZINC001508211826 975642827 /nfs/dbraw/zinc/64/28/27/975642827.db2.gz NQJJJHMOUFCQRR-UHFFFAOYSA-N 2 0 267.417 1.485 10 0 CDAERP CCC[N@@H+]1CC[C@H](N(CC)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001405185672 975665610 /nfs/dbraw/zinc/66/56/10/975665610.db2.gz PBOFDHVDFCYZBU-CABCVRRESA-N 2 0 281.444 1.661 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001397695259 975682100 /nfs/dbraw/zinc/68/21/00/975682100.db2.gz XQONXMFHEBXLEK-XQLPTFJDSA-N 2 0 299.434 1.561 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001379279724 975741770 /nfs/dbraw/zinc/74/17/70/975741770.db2.gz SQELVBHGJBRLDB-AWEZNQCLSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1cnc(C)s1)[NH+](C)C ZINC001379423745 975836375 /nfs/dbraw/zinc/83/63/75/975836375.db2.gz ZUDDAGGINXOENB-MFKMUULPSA-N 2 0 298.456 1.386 10 0 CDAERP C[C@H](C[NH2+]CC1CCCC1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001405816881 975890955 /nfs/dbraw/zinc/89/09/55/975890955.db2.gz RMKWEAFZXSLVSU-IIAWOOMASA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1ncccc1C)[NH+](C)C ZINC001379519995 975902187 /nfs/dbraw/zinc/90/21/87/975902187.db2.gz BKDWQSILYRHGRG-DZGCQCFKSA-N 2 0 292.427 1.325 10 0 CDAERP Cc1ccncc1C[NH2+]C[C@H](C)N(C)C(=O)CC[NH+](C)C ZINC001405848560 975905394 /nfs/dbraw/zinc/90/53/94/975905394.db2.gz IMGNKIPAGSOMPT-AWEZNQCLSA-N 2 0 292.427 1.278 10 0 CDAERP C[C@@H](C[N@H+](C)CC1CC(C)C1)NC(=O)C12CC[NH+](CC1)C2 ZINC001401810091 975927139 /nfs/dbraw/zinc/92/71/39/975927139.db2.gz YHUVUZYAIWSUDQ-SLTAFYQDSA-N 2 0 293.455 1.565 10 0 CDAERP CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001398344326 975952725 /nfs/dbraw/zinc/95/27/25/975952725.db2.gz UEDYLCGRIVAZBJ-KGLIPLIRSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)C[C@@H](C)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001398538013 976026803 /nfs/dbraw/zinc/02/68/03/976026803.db2.gz WIYMBKYSWGENQQ-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCF)C1)[NH+]1CCCC1 ZINC001389904182 976039561 /nfs/dbraw/zinc/03/95/61/976039561.db2.gz GGFXLKSRGAAWOE-IHRRRGAJSA-N 2 0 285.407 1.313 10 0 CDAERP CC(C)C[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001390041222 976098629 /nfs/dbraw/zinc/09/86/29/976098629.db2.gz VLZLINMEJNXJHP-GASCZTMLSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@H](C)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001398759010 976139925 /nfs/dbraw/zinc/13/99/25/976139925.db2.gz QFGSSWNOLAEMQV-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CC[NH+]1CCCF ZINC001379989320 976167391 /nfs/dbraw/zinc/16/73/91/976167391.db2.gz XNDLDFIZLIRGEC-KBPBESRZSA-N 2 0 285.407 1.411 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccncc1Cl ZINC001399050622 976311398 /nfs/dbraw/zinc/31/13/98/976311398.db2.gz XRFZYLRAHXAWOY-NSHDSACASA-N 2 0 298.818 1.281 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001399057510 976316487 /nfs/dbraw/zinc/31/64/87/976316487.db2.gz XDWRVHUDEOKATA-UONOGXRCSA-N 2 0 271.449 1.713 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1([NH2+]CC2CC2)CCC1 ZINC001402543239 976351219 /nfs/dbraw/zinc/35/12/19/976351219.db2.gz CJDZSLKWBHRCLE-HNNXBMFYSA-N 2 0 293.455 1.899 10 0 CDAERP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cccnc1 ZINC001399123513 976352440 /nfs/dbraw/zinc/35/24/40/976352440.db2.gz RTXDOJSMXZFEHE-KGLIPLIRSA-N 2 0 290.411 1.018 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001380378212 976395991 /nfs/dbraw/zinc/39/59/91/976395991.db2.gz PDBALIIGFNHQBY-RDJZCZTQSA-N 2 0 295.471 1.955 10 0 CDAERP CN(CCC[N@H+](C)C/C=C\Cl)C(=O)CC[NH+](C)C ZINC001402649030 976422755 /nfs/dbraw/zinc/42/27/55/976422755.db2.gz MKEIXPJJZXTLCH-YVMONPNESA-N 2 0 275.824 1.471 10 0 CDAERP CC[C@H](C(=O)NCC[C@@H](C)[NH2+]C/C=C\Cl)[NH+](C)C ZINC001390674407 976429041 /nfs/dbraw/zinc/42/90/41/976429041.db2.gz XMSWQUDLEBIBMP-WAIVJAFWSA-N 2 0 275.824 1.564 10 0 CDAERP CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001407245266 976615181 /nfs/dbraw/zinc/61/51/81/976615181.db2.gz VCGYJBZAVXWBEQ-GDBMZVCRSA-N 2 0 279.428 1.176 10 0 CDAERP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC[N@H+]1CC[C@H](C)F ZINC001399903163 976736300 /nfs/dbraw/zinc/73/63/00/976736300.db2.gz VOVSASOJLGIFAK-UONOGXRCSA-N 2 0 287.423 1.655 10 0 CDAERP CC[C@@H](F)C[N@H+](C)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001403169441 976777820 /nfs/dbraw/zinc/77/78/20/976777820.db2.gz LGLXATMZIBACNY-CHWSQXEVSA-N 2 0 287.423 1.513 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[C@@H]2CC[NH+](CC)C2)C1 ZINC001391313923 976806348 /nfs/dbraw/zinc/80/63/48/976806348.db2.gz GUODDARRQJNUES-HZPDHXFCSA-N 2 0 295.471 1.957 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001391382973 976848383 /nfs/dbraw/zinc/84/83/83/976848383.db2.gz XBOXENMLAVPYGX-HUUCEWRRSA-N 2 0 281.444 1.851 10 0 CDAERP C[C@H](F)CC[N@@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001391382954 976852193 /nfs/dbraw/zinc/85/21/93/976852193.db2.gz VQOYRCYRPPASPZ-UONOGXRCSA-N 2 0 299.434 1.799 10 0 CDAERP CC[C@H](C)C[N@H+](CC)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001492973255 976877064 /nfs/dbraw/zinc/87/70/64/976877064.db2.gz DFHKNEQMCYBULL-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@H](F)C[N@H+](C)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001381529317 976892653 /nfs/dbraw/zinc/89/26/53/976892653.db2.gz IFRJQVAAAFIVDF-OLZOCXBDSA-N 2 0 287.423 1.655 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]C[C@@H](C)CC)C1)[NH+](C)C ZINC001408074921 976897940 /nfs/dbraw/zinc/89/79/40/976897940.db2.gz DKYSWQNLJGAIPD-RRFJBIMHSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[C@H](C(=O)NCC1C[NH+](C(C)C)C1)[NH+]1CCCC1 ZINC001391525194 976933159 /nfs/dbraw/zinc/93/31/59/976933159.db2.gz OKTNRUMTWZXWQU-OAHLLOKOSA-N 2 0 281.444 1.563 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@H+](C)CCC1CC1 ZINC001408344411 977016414 /nfs/dbraw/zinc/01/64/14/977016414.db2.gz PVTDXSZZVIUPLF-OAHLLOKOSA-N 2 0 281.444 1.661 10 0 CDAERP CC[N@@H+]1C[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001381856294 977055177 /nfs/dbraw/zinc/05/51/77/977055177.db2.gz UYHUHXKQTXLREK-KBPBESRZSA-N 2 0 281.444 1.707 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3CCCC3)C[C@H]21 ZINC001381913960 977078897 /nfs/dbraw/zinc/07/88/97/977078897.db2.gz JEBCGBZHKUEWOD-PHZGNYQRSA-N 2 0 293.455 1.422 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CC(C)(C)C1 ZINC001391749734 977080693 /nfs/dbraw/zinc/08/06/93/977080693.db2.gz ZXUDURCCAZPPLQ-HUUCEWRRSA-N 2 0 295.471 1.859 10 0 CDAERP CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]3CCCC3)[C@@H]2C1 ZINC001381935217 977087852 /nfs/dbraw/zinc/08/78/52/977087852.db2.gz PLBVAYVOWOIILY-LVQVYYBASA-N 2 0 293.455 1.421 10 0 CDAERP Cc1ncc(C[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)C(C)C)o1 ZINC001403624103 977111136 /nfs/dbraw/zinc/11/11/36/977111136.db2.gz NZPFBDDNFDWUHR-GFCCVEGCSA-N 2 0 296.415 1.260 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC1CC1 ZINC001392058885 977207196 /nfs/dbraw/zinc/20/71/96/977207196.db2.gz IBGWTOVTDRCWJU-DZGCQCFKSA-N 2 0 281.444 1.706 10 0 CDAERP CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1cc(C)no1)[NH+](C)C ZINC001392080865 977214241 /nfs/dbraw/zinc/21/42/41/977214241.db2.gz WJMPURWNOVQWTQ-TZMCWYRMSA-N 2 0 296.415 1.260 10 0 CDAERP Cc1nocc1C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001382311844 977245984 /nfs/dbraw/zinc/24/59/84/977245984.db2.gz JIPIHPMOLOUUTH-BXUZGUMPSA-N 2 0 294.399 1.014 10 0 CDAERP CC(C)[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CCC1CC1 ZINC001392248561 977281111 /nfs/dbraw/zinc/28/11/11/977281111.db2.gz QILNKCBZIPLPIC-OAHLLOKOSA-N 2 0 293.455 1.613 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1cccnc1C)[NH+](C)C ZINC001392488370 977458552 /nfs/dbraw/zinc/45/85/52/977458552.db2.gz UMBSPHSGYFLWRZ-IUODEOHRSA-N 2 0 292.427 1.325 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001392831575 977618378 /nfs/dbraw/zinc/61/83/78/977618378.db2.gz GUNPVMRVOJMLEL-BZUAXINKSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@]2(CC[NH+](CC3CC3)C2)C1 ZINC001392991778 977668382 /nfs/dbraw/zinc/66/83/82/977668382.db2.gz NTTCXRKDCCOPKT-QGZVFWFLSA-N 2 0 293.455 1.661 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CC(C)C ZINC001394494045 978181649 /nfs/dbraw/zinc/18/16/49/978181649.db2.gz AWJFJRTUPASETL-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]C/C=C\Cl)CN1C(=O)CC[NH+](C)C ZINC001394673849 978222154 /nfs/dbraw/zinc/22/21/54/978222154.db2.gz SQRUUJNGMPIINS-GJJFQZOLSA-N 2 0 273.808 1.270 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CCC(C)C)C[C@H]1C ZINC001394675440 978228499 /nfs/dbraw/zinc/22/84/99/978228499.db2.gz XKHYEOWKZRWNFE-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@]12CCC[C@@H]1[NH+](CCCF)CC2 ZINC001394683424 978229331 /nfs/dbraw/zinc/22/93/31/978229331.db2.gz FVCHQCNDIATNAE-HOCLYGCPSA-N 2 0 299.434 1.799 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]C/C=C\Cl)C(C)(C)C2)C1 ZINC001394717709 978238666 /nfs/dbraw/zinc/23/86/66/978238666.db2.gz SCCKUMAQXGPKJD-NMTKSXOJSA-N 2 0 299.846 1.517 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)C(C)C ZINC001674937469 1174039123 /nfs/dbraw/zinc/03/91/23/1174039123.db2.gz GJNAQPZAPWDFHZ-KGLIPLIRSA-N 2 0 269.433 1.706 10 0 CDAERP CCC[NH2+]CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001675973728 1174170648 /nfs/dbraw/zinc/17/06/48/1174170648.db2.gz MZXPSHXERQUMBR-KGLIPLIRSA-N 2 0 269.433 1.613 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001676360587 1174214411 /nfs/dbraw/zinc/21/44/11/1174214411.db2.gz UHYVDZRUGIRWAN-CQSZACIVSA-N 2 0 281.444 1.873 10 0 CDAERP CC(C)COCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001571400170 1170412258 /nfs/dbraw/zinc/41/22/58/1170412258.db2.gz GEHLCPJIIVARTD-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP CCCC[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001571418774 1170420029 /nfs/dbraw/zinc/42/00/29/1170420029.db2.gz DYJHLYXJMSKBAO-ZDUSSCGKSA-N 2 0 257.422 1.563 10 0 CDAERP CCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[N@H+](C)CC)C1 ZINC001571488724 1170452158 /nfs/dbraw/zinc/45/21/58/1170452158.db2.gz HCYBNRUYWWDRJD-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000252463266 342453068 /nfs/dbraw/zinc/45/30/68/342453068.db2.gz WCCKWMMMCUSGJZ-HUUCEWRRSA-N 2 0 296.459 1.596 10 0 CDAERP CSC1(C[NH2+]Cc2cn[nH]c2)CC[NH+](C)CC1 ZINC000589326114 342503483 /nfs/dbraw/zinc/50/34/83/342503483.db2.gz XLTNREFLMWEOJS-UHFFFAOYSA-N 2 0 254.403 1.327 10 0 CDAERP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)[C@@H]1CCCCO1 ZINC000624011959 342527099 /nfs/dbraw/zinc/52/70/99/342527099.db2.gz NRPIPDGJIVITJC-XHSDSOJGSA-N 2 0 285.476 1.806 10 0 CDAERP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000650740856 398170871 /nfs/dbraw/zinc/17/08/71/398170871.db2.gz STZIJPBLVVKTCG-ARFHVFGLSA-N 3 0 267.461 1.942 10 0 CDAERP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)C[C@H]1COCCN1 ZINC000650739845 398171172 /nfs/dbraw/zinc/17/11/72/398171172.db2.gz AMMXDNZDFRYJNH-CABCVRRESA-N 2 0 271.449 1.321 10 0 CDAERP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)C[C@H]1COCCN1 ZINC000650755428 398179924 /nfs/dbraw/zinc/17/99/24/398179924.db2.gz FASINVBVWLVKCV-BBRMVZONSA-N 2 0 277.412 1.263 10 0 CDAERP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)C[C@H]1COCCN1 ZINC000650755429 398179947 /nfs/dbraw/zinc/17/99/47/398179947.db2.gz FASINVBVWLVKCV-CJNGLKHVSA-N 2 0 277.412 1.263 10 0 CDAERP CN(CC[NH+](C)C)c1ncc(Br)cc1C[NH3+] ZINC000082543707 178089162 /nfs/dbraw/zinc/08/91/62/178089162.db2.gz WHIIFAGQOFHWNS-UHFFFAOYSA-N 2 0 287.205 1.301 10 0 CDAERP CCO[C@H](C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)C1CC1 ZINC000625262106 342059943 /nfs/dbraw/zinc/05/99/43/342059943.db2.gz COYIFIDAHFANHS-YYIAUSFCSA-N 2 0 296.455 1.985 10 0 CDAERP COC(=O)c1ccc(C[NH+]2CCC(CC[NH3+])CC2)nc1 ZINC000094763063 342064266 /nfs/dbraw/zinc/06/42/66/342064266.db2.gz UDSWDKWXJOCFPV-UHFFFAOYSA-N 2 0 277.368 1.429 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000061656223 282118786 /nfs/dbraw/zinc/11/87/86/282118786.db2.gz XUKLNYVBIFRIIK-AGIUHOORSA-N 2 0 253.390 1.057 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)C1 ZINC000617007750 342604000 /nfs/dbraw/zinc/60/40/00/342604000.db2.gz ZPUJJPXQBBCKKX-OLZOCXBDSA-N 2 0 267.417 1.317 10 0 CDAERP CCCC[C@H](C[NH3+])NC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000417817046 282953365 /nfs/dbraw/zinc/95/33/65/282953365.db2.gz RCEMPRDVADCGNY-VXGBXAGGSA-N 2 0 255.406 1.398 10 0 CDAERP Cc1cncn1CC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000624398106 342164721 /nfs/dbraw/zinc/16/47/21/342164721.db2.gz WUZVGVHVXGKMCX-GFCCVEGCSA-N 2 0 264.373 1.040 10 0 CDAERP C[NH+](C)CCC[C@H]1CN(CC(=O)NCC(C)(C)C)CCO1 ZINC000625561962 342187959 /nfs/dbraw/zinc/18/79/59/342187959.db2.gz DYUOUSPIFGQVNW-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)CC(=O)Nc1ccccc1 ZINC000629392882 361909179 /nfs/dbraw/zinc/90/91/79/361909179.db2.gz VTGIOBOYQNYHEH-CYBMUJFWSA-N 2 0 279.384 1.229 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000629399301 361921410 /nfs/dbraw/zinc/92/14/10/361921410.db2.gz OHAACHUXNXMDKH-UHFFFAOYSA-N 2 0 260.740 1.934 10 0 CDAERP COC(=O)CCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000593728699 342830023 /nfs/dbraw/zinc/83/00/23/342830023.db2.gz CPKVKDXQZQGJJT-MJBXVCDLSA-N 2 0 284.400 1.300 10 0 CDAERP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1CCC(c2ccccc2)CC1 ZINC000263137302 361930358 /nfs/dbraw/zinc/93/03/58/361930358.db2.gz CBOGQTZZUQMMQG-ODZFXCKXSA-N 2 0 274.408 1.883 10 0 CDAERP CC(C)Oc1cccc(C[NH2+]CCOCCC[NH3+])c1 ZINC000629398322 361931423 /nfs/dbraw/zinc/93/14/23/361931423.db2.gz AXLUEDHHNZAJOP-UHFFFAOYSA-N 2 0 266.385 1.929 10 0 CDAERP [NH3+]CCCOCC[NH2+]C1CCN(c2ccccc2)CC1 ZINC000629398642 361932002 /nfs/dbraw/zinc/93/20/02/361932002.db2.gz GNUHBIXYKIJBNC-UHFFFAOYSA-N 2 0 277.412 1.610 10 0 CDAERP CC[C@H](Cc1cccs1)[NH2+]CCOCC[NH2+]C ZINC000629405821 361944297 /nfs/dbraw/zinc/94/42/97/361944297.db2.gz UJVZQRQYKUUSOG-GFCCVEGCSA-N 2 0 256.415 1.895 10 0 CDAERP C[NH2+]CCOCC[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000629404858 361946676 /nfs/dbraw/zinc/94/66/76/361946676.db2.gz RQDRMKURAIHKCL-NVXWUHKLSA-N 3 0 297.487 1.855 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN[C@@H]1CC[NH2+][C@H]1C ZINC000629408659 361964727 /nfs/dbraw/zinc/96/47/27/361964727.db2.gz YCXKRAVBYYFRSR-SWLSCSKDSA-N 2 0 271.368 1.416 10 0 CDAERP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)C1 ZINC000234768957 539043487 /nfs/dbraw/zinc/04/34/87/539043487.db2.gz RSQAAWHHPIUGHG-ZACQAIPSSA-N 2 0 297.487 1.806 10 0 CDAERP CCC[C@H](C[NH3+])[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000669377078 539072059 /nfs/dbraw/zinc/07/20/59/539072059.db2.gz FXHCWNLENRIMKJ-HZPDHXFCSA-N 2 0 262.397 1.998 10 0 CDAERP CCOC(=O)CCCCC[N@@H+]1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000600882477 342254178 /nfs/dbraw/zinc/25/41/78/342254178.db2.gz DLSQQQMXIXGTIW-UKRRQHHQSA-N 2 0 286.416 1.548 10 0 CDAERP CC[C@H]1C[C@@H]([NH2+]CC2(SC)CC[NH+](C)CC2)CO1 ZINC000594945455 342980138 /nfs/dbraw/zinc/98/01/38/342980138.db2.gz VNJYRYXIDOWRBD-OLZOCXBDSA-N 2 0 272.458 1.971 10 0 CDAERP CS[C@@H](CO)[C@@H](C)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000594924481 342989171 /nfs/dbraw/zinc/98/91/71/342989171.db2.gz ZFRRBSFUEHOZFE-RISCZKNCSA-N 2 0 292.408 1.469 10 0 CDAERP C[C@@H](CSCCF)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000595018895 342996075 /nfs/dbraw/zinc/99/60/75/342996075.db2.gz UHSLJWZLIQDMFF-RYUDHWBXSA-N 2 0 264.410 1.124 10 0 CDAERP CCC(CC)(C[NH3+])C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000250790028 534931980 /nfs/dbraw/zinc/93/19/80/534931980.db2.gz ZANHFLGNNUELJP-CHWSQXEVSA-N 2 0 267.417 1.447 10 0 CDAERP COC(=O)C1(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)CC1 ZINC000450505546 362061378 /nfs/dbraw/zinc/06/13/78/362061378.db2.gz ZCFDXJRILXTUPQ-CHWSQXEVSA-N 2 0 266.385 1.356 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@@H+]1C ZINC000631576683 362112384 /nfs/dbraw/zinc/11/23/84/362112384.db2.gz YSMOWAWVYAXUGC-CBBWQLFWSA-N 2 0 279.428 1.412 10 0 CDAERP CCOC(=O)CC1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000595890921 343181592 /nfs/dbraw/zinc/18/15/92/343181592.db2.gz GILWIQSQQMSLPQ-AWEZNQCLSA-N 2 0 296.411 1.173 10 0 CDAERP [NH3+]CC1(CC(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)CC1 ZINC000645108315 362121934 /nfs/dbraw/zinc/12/19/34/362121934.db2.gz WUEGKUFIVVSEKK-STQMWFEESA-N 2 0 265.401 1.106 10 0 CDAERP NC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000629524234 362141524 /nfs/dbraw/zinc/14/15/24/362141524.db2.gz OMZNCTWGWVDJOO-QSLWVIQJSA-N 2 0 265.401 1.151 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000629529407 362157672 /nfs/dbraw/zinc/15/76/72/362157672.db2.gz BSKBSETVLNZYMR-JHJVBQTASA-N 2 0 256.390 1.016 10 0 CDAERP CC[N@@H+]1CC[C@@H](CNC(=O)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000351899622 362146505 /nfs/dbraw/zinc/14/65/05/362146505.db2.gz SXPDYOLXANECOA-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@@H]1[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2O)C[C@H]1c1ccccc1 ZINC000263162460 362147737 /nfs/dbraw/zinc/14/77/37/362147737.db2.gz DYNUWDNSPTTZIV-RBRCJPGISA-N 2 0 260.381 1.349 10 0 CDAERP CCO[C@H](C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+])C1CC1 ZINC000629527711 362152724 /nfs/dbraw/zinc/15/27/24/362152724.db2.gz CZUVEEUHLJUDDU-LSDHHAIUSA-N 2 0 297.443 1.121 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000629531770 362162926 /nfs/dbraw/zinc/16/29/26/362162926.db2.gz XQKIPLVDNAVEGD-RBSFLKMASA-N 3 0 269.433 1.123 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(c2nc(N)[nH+]c3c2CCCC3)C1 ZINC000645181540 362227348 /nfs/dbraw/zinc/22/73/48/362227348.db2.gz JWGVQHZUNUEJRG-GFCCVEGCSA-N 2 0 289.427 1.688 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000250513099 344046208 /nfs/dbraw/zinc/04/62/08/344046208.db2.gz PJJBAFYPEZBYMP-QXSJWSMHSA-N 2 0 293.455 1.754 10 0 CDAERP O[C@@H]1CC[C@H]2C[N@H+](CCC[NH+]3CCCCC3)C[C@@H]2C1 ZINC000412038303 362360750 /nfs/dbraw/zinc/36/07/50/362360750.db2.gz HFXRFALNDNKBIZ-HRCADAONSA-N 2 0 266.429 1.955 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000257704679 344382161 /nfs/dbraw/zinc/38/21/61/344382161.db2.gz PDOKAKIDKFKPNJ-QWHCGFSZSA-N 2 0 253.390 1.119 10 0 CDAERP NC(=[NH2+])N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000306741826 362439823 /nfs/dbraw/zinc/43/98/23/362439823.db2.gz FBXLWUFYMLVJHD-KBPBESRZSA-N 2 0 258.369 1.334 10 0 CDAERP c1cnc(N[C@@H]2CC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)nc1 ZINC000571443374 362528028 /nfs/dbraw/zinc/52/80/28/362528028.db2.gz AZMBPUDZMOFDBD-UONOGXRCSA-N 2 0 275.400 1.353 10 0 CDAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC[C@@H](C)O)[C@@H](C)C1 ZINC000537958051 282391580 /nfs/dbraw/zinc/39/15/80/282391580.db2.gz FNXDCCIKUFAZDC-RRFJBIMHSA-N 2 0 272.433 1.484 10 0 CDAERP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1C[NH2+]C1 ZINC000263291601 362599969 /nfs/dbraw/zinc/59/99/69/362599969.db2.gz LNSCJNWWGHGXDK-ALOPSCKCSA-N 2 0 299.418 1.518 10 0 CDAERP [NH3+][C@H]1CCC[C@@H]1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000085369505 179039017 /nfs/dbraw/zinc/03/90/17/179039017.db2.gz HPFGZFUPMDZDKT-GJZGRUSLSA-N 2 0 279.428 1.591 10 0 CDAERP Cc1nc2c(n1[C@H](C[NH+](C)C)C(C)C)CC[NH2+]C2 ZINC000085573168 179098236 /nfs/dbraw/zinc/09/82/36/179098236.db2.gz CGNOIQBNAQWMEM-CQSZACIVSA-N 2 0 250.390 1.596 10 0 CDAERP CN1CC[NH2+]C[C@@H]1c1noc([C@@H]2CCCCCC[C@@H]2[NH3+])n1 ZINC000263304149 362751162 /nfs/dbraw/zinc/75/11/62/362751162.db2.gz XMWZGMBWABDBTE-FRRDWIJNSA-N 2 0 293.415 1.411 10 0 CDAERP O=C(NCC1CC[NH+](Cc2cccs2)CC1)C1C[NH2+]C1 ZINC000263309966 362765421 /nfs/dbraw/zinc/76/54/21/362765421.db2.gz PCGVGAOHFKHKTN-UHFFFAOYSA-N 2 0 293.436 1.296 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)c1ccccc1CC[NH3+] ZINC000230711054 346555262 /nfs/dbraw/zinc/55/52/62/346555262.db2.gz CKJXCNOQLWDRID-UHFFFAOYSA-N 2 0 277.412 1.602 10 0 CDAERP CC[N@@H+]1CCC[C@@H](N2CC[NH2+]C3(CCCC3)C2)C1 ZINC000086143081 179237696 /nfs/dbraw/zinc/23/76/96/179237696.db2.gz FRZCUYNKSAQWEG-CQSZACIVSA-N 2 0 251.418 1.689 10 0 CDAERP CC[N@@H+]1CCC[C@H](N2CC[NH2+]C(CC)(CC)C2)C1 ZINC000086143121 179238117 /nfs/dbraw/zinc/23/81/17/179238117.db2.gz HWWYDKRZZACWDK-AWEZNQCLSA-N 2 0 253.434 1.935 10 0 CDAERP CC(C)[C@@H]1C[NH2+][C@H](C)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086152553 179240436 /nfs/dbraw/zinc/24/04/36/179240436.db2.gz DKGMRZSMHWBVPN-VHDGCEQUSA-N 2 0 251.418 1.399 10 0 CDAERP CC(C)[C@@H]1C[NH2+][C@H](C2CC2)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086259609 179257608 /nfs/dbraw/zinc/25/76/08/179257608.db2.gz NDDATNJYOWZBGR-IKGGRYGDSA-N 2 0 277.456 1.932 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)OCCO)CC1(C)C ZINC000623526849 347616115 /nfs/dbraw/zinc/61/61/15/347616115.db2.gz WZTGHRDFMQJYBZ-LBPRGKRZSA-N 2 0 258.406 1.236 10 0 CDAERP CCNC(=O)[C@@H](N[C@H]1CC[N@H+](C)C(C)(C)C1)C(C)C ZINC000623532336 347618743 /nfs/dbraw/zinc/61/87/43/347618743.db2.gz NMYZDVZMLNTYBS-STQMWFEESA-N 2 0 269.433 1.610 10 0 CDAERP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC/C=C/C[NH3+] ZINC000641860089 365945409 /nfs/dbraw/zinc/94/54/09/365945409.db2.gz FKPSEEOCMMHTHF-MUBLQREKSA-N 2 0 268.405 1.017 10 0 CDAERP CCCN(CC[NH+](CC)CC)C(=O)NC/C=C\C[NH3+] ZINC000641866788 365951397 /nfs/dbraw/zinc/95/13/97/365951397.db2.gz IYAJDAKNTJUBLW-FPLPWBNLSA-N 2 0 270.421 1.265 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)[C@@H]1C ZINC000414183048 362927551 /nfs/dbraw/zinc/92/75/51/362927551.db2.gz DPLZVHHUMNJWKE-OAGGEKHMSA-N 2 0 295.471 1.417 10 0 CDAERP C[NH2+]Cc1c(N(C)CC[NH+](C)C)nc2sccn12 ZINC000104204275 185929950 /nfs/dbraw/zinc/92/99/50/185929950.db2.gz YFOKYOSEPIFTQB-UHFFFAOYSA-N 2 0 267.402 1.113 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N(C)CC2C[NH+](C)C2)CC1 ZINC000618189564 349396076 /nfs/dbraw/zinc/39/60/76/349396076.db2.gz NCVJIJBTVZLTFK-UHFFFAOYSA-N 2 0 267.417 1.127 10 0 CDAERP CCC[C@H]([NH2+]CCOCCC[NH3+])c1ccccn1 ZINC000629536855 362950941 /nfs/dbraw/zinc/95/09/41/362950941.db2.gz ILDKSPIHYLTVNS-ZDUSSCGKSA-N 2 0 251.374 1.878 10 0 CDAERP C[C@H]([NH2+]CCOCCC[NH3+])c1cc(F)cc(F)c1 ZINC000629536589 362951391 /nfs/dbraw/zinc/95/13/91/362951391.db2.gz GZJCUBBGPCYWNR-JTQLQIEISA-N 2 0 258.312 1.981 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000629537182 362952341 /nfs/dbraw/zinc/95/23/41/362952341.db2.gz IGXLTCNGLPYWFH-CQSZACIVSA-N 2 0 280.416 1.986 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC000620621676 350291807 /nfs/dbraw/zinc/29/18/07/350291807.db2.gz QJINQVKRBMLSEU-CYBMUJFWSA-N 2 0 269.433 1.565 10 0 CDAERP COC(=O)C1(C[N@H+](C)CCC[NH+]2CCCC2)CC1 ZINC000450909113 362955542 /nfs/dbraw/zinc/95/55/42/362955542.db2.gz SLYANDJVUOKIGE-UHFFFAOYSA-N 2 0 254.374 1.357 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000629539347 362957033 /nfs/dbraw/zinc/95/70/33/362957033.db2.gz PXQMISAILSHSRW-MRXNPFEDSA-N 2 0 262.397 1.889 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000629535804 362960656 /nfs/dbraw/zinc/96/06/56/362960656.db2.gz FIVGRHZDPYCATN-MRXNPFEDSA-N 2 0 262.397 1.963 10 0 CDAERP CC[C@@H]1C[N@H+](CCc2ccnn2CC)CC[C@H]1[NH3+] ZINC000621775299 350771955 /nfs/dbraw/zinc/77/19/55/350771955.db2.gz LBQZFXDBZDNKPC-TZMCWYRMSA-N 2 0 250.390 1.505 10 0 CDAERP CCn1nccc1CC[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000621776858 350773181 /nfs/dbraw/zinc/77/31/81/350773181.db2.gz YKNBGJPUQBBPET-GJZGRUSLSA-N 2 0 276.428 1.767 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000333455001 362994719 /nfs/dbraw/zinc/99/47/19/362994719.db2.gz YBGZOCQRENOJCL-ZNMIVQPWSA-N 2 0 296.459 1.404 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1ccc(C)cc1C ZINC000629571691 363021101 /nfs/dbraw/zinc/02/11/01/363021101.db2.gz HIJJMSKUVYYUIM-UHFFFAOYSA-N 2 0 250.386 1.971 10 0 CDAERP O[C@@H](C[NH2+]CCCc1nccs1)C[NH+]1CCCC1 ZINC000629580576 363040316 /nfs/dbraw/zinc/04/03/16/363040316.db2.gz VBQXNHVLXFSZQG-LBPRGKRZSA-N 2 0 269.414 1.122 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000422911919 295852790 /nfs/dbraw/zinc/85/27/90/295852790.db2.gz UVYNHUDIPUFHJK-HOCLYGCPSA-N 2 0 291.439 1.793 10 0 CDAERP [NH3+]CCCC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000037017278 363313430 /nfs/dbraw/zinc/31/34/30/363313430.db2.gz LIMOVKROMDCPOG-UHFFFAOYSA-N 2 0 261.369 1.960 10 0 CDAERP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)COC(C)C)C1 ZINC000644529922 366149309 /nfs/dbraw/zinc/14/93/09/366149309.db2.gz KPKWISBYCMEYLR-ZIAGYGMSSA-N 2 0 258.406 1.094 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CC[N@H+](C)CC23CCCCC3)CC[NH2+]1 ZINC000262372762 291039963 /nfs/dbraw/zinc/03/99/63/291039963.db2.gz MJNGEVWYBAEMAE-GJZGRUSLSA-N 2 0 293.455 1.851 10 0 CDAERP CO[C@H]1CCC[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000643543940 355996424 /nfs/dbraw/zinc/99/64/24/355996424.db2.gz IXGZDNZYCWVGAH-XGHPGWEVSA-N 2 0 295.471 1.750 10 0 CDAERP CC(C)[C@H](C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C)[C@H](C)[NH3+] ZINC000399731873 356019173 /nfs/dbraw/zinc/01/91/73/356019173.db2.gz MDKQDKCSJZPATD-QPSCCSFWSA-N 2 0 281.444 1.691 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000418195549 283177106 /nfs/dbraw/zinc/17/71/06/283177106.db2.gz BTYWVGKWGQJFBO-MGPQQGTHSA-N 2 0 284.448 1.404 10 0 CDAERP CCC(CC)(C[NH3+])CNc1ccnn1C1C[NH2+]C1 ZINC000725258155 538452820 /nfs/dbraw/zinc/45/28/20/538452820.db2.gz JAOHZMRQNWRDLL-UHFFFAOYSA-N 2 0 251.378 1.204 10 0 CDAERP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000636099645 363510153 /nfs/dbraw/zinc/51/01/53/363510153.db2.gz DTCJKILQPPOURE-YIYPIFLZSA-N 2 0 265.401 1.070 10 0 CDAERP CC(C)OC[C@@H](O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000070194920 356865706 /nfs/dbraw/zinc/86/57/06/356865706.db2.gz MSTHRHFQMIKFIH-INIZCTEOSA-N 2 0 284.444 1.580 10 0 CDAERP CC[NH+](CC)[C@@H](C)CNC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000047884094 357166996 /nfs/dbraw/zinc/16/69/96/357166996.db2.gz HBNHFJDLLNWUMF-AWEZNQCLSA-N 2 0 298.475 1.889 10 0 CDAERP CCCC[NH+]1CCC([NH2+]C[C@@H](O)C[C@@](C)(O)C2CC2)CC1 ZINC000634703865 357376924 /nfs/dbraw/zinc/37/69/24/357376924.db2.gz CEKGYMPNQKWHJC-DLBZAZTESA-N 2 0 298.471 1.753 10 0 CDAERP C[NH+](C)CC1CCC([NH2+]C[C@@H](O)C[C@](C)(O)C2CC2)CC1 ZINC000634710526 357404818 /nfs/dbraw/zinc/40/48/18/357404818.db2.gz ZZJSBLCFUSUSCL-KMZOKZLKSA-N 2 0 298.471 1.608 10 0 CDAERP CC1(C)C[NH2+]CC[C@H](NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000634752116 358257875 /nfs/dbraw/zinc/25/78/75/358257875.db2.gz FKVUCFIIZOTFGN-QPSCCSFWSA-N 2 0 293.455 1.802 10 0 CDAERP CSc1nccnc1C[NH+]1CCC(C[NH3+])CC1 ZINC000095071909 358672943 /nfs/dbraw/zinc/67/29/43/358672943.db2.gz WSWPNKZUVPHNFL-UHFFFAOYSA-N 2 0 252.387 1.369 10 0 CDAERP C[NH2+][C@@H](CCO)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000095075718 358674153 /nfs/dbraw/zinc/67/41/53/358674153.db2.gz CMTQNZRTRYGQKQ-HOTGVXAUSA-N 2 0 262.397 1.869 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccccc1CC[NH3+] ZINC000070551913 358968177 /nfs/dbraw/zinc/96/81/77/358968177.db2.gz SGFXEXQELYZSHM-CQSZACIVSA-N 2 0 289.423 1.792 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccccc2CC[NH3+])C1 ZINC000070553065 358969593 /nfs/dbraw/zinc/96/95/93/358969593.db2.gz NXRLSJYTSGXAPO-OAHLLOKOSA-N 2 0 289.423 1.744 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)N1CCn2ccnc2C1 ZINC000070553027 358969603 /nfs/dbraw/zinc/96/96/03/358969603.db2.gz VHHWOHVSFSUUHH-UHFFFAOYSA-N 2 0 270.336 1.040 10 0 CDAERP COC(C)(C)CC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000346444287 359012028 /nfs/dbraw/zinc/01/20/28/359012028.db2.gz KIBLENBOAOWGMV-RBSFLKMASA-N 2 0 284.444 1.985 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)[C@@H]([NH3+])C2CCOCC2)CC1 ZINC000261905731 359084794 /nfs/dbraw/zinc/08/47/94/359084794.db2.gz XAAWMHPLSZXLRL-HNNXBMFYSA-N 2 0 297.443 1.121 10 0 CDAERP C[N@H+](CC1CC1)C[C@H]1CCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000261948500 359100269 /nfs/dbraw/zinc/10/02/69/359100269.db2.gz FSTOQLISCUJATK-HZPDHXFCSA-N 3 0 265.445 1.650 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000346969077 359114693 /nfs/dbraw/zinc/11/46/93/359114693.db2.gz KIPUBBQUMYKGSF-NFAWXSAZSA-N 2 0 279.428 1.554 10 0 CDAERP C[C@H]1CN(Cc2nccn2Cc2ccccc2)C[C@H]1[NH3+] ZINC000262044683 359129399 /nfs/dbraw/zinc/12/93/99/359129399.db2.gz PPCUKXXNJQAEDJ-DZGCQCFKSA-N 2 0 270.380 1.710 10 0 CDAERP C[C@@H](CNC(=O)C1(C[NH3+])CCOCC1)[N@@H+]1CCCC[C@H]1C ZINC000262072683 359132949 /nfs/dbraw/zinc/13/29/49/359132949.db2.gz BTGDOOUUTFCJBT-KGLIPLIRSA-N 2 0 297.443 1.121 10 0 CDAERP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H](C)[C@H]2C)CC1 ZINC000339571217 359414746 /nfs/dbraw/zinc/41/47/46/359414746.db2.gz DTDHMYRAOMHHEC-LSDHHAIUSA-N 2 0 253.434 1.743 10 0 CDAERP C[N@H+](CCCN1CC[NH+](C)CC1)CC[C@@H]1CCCCO1 ZINC000347546672 359431948 /nfs/dbraw/zinc/43/19/48/359431948.db2.gz MQSWSPVLERCVBL-INIZCTEOSA-N 2 0 283.460 1.515 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000347516802 359407568 /nfs/dbraw/zinc/40/75/68/359407568.db2.gz GRDIKOZZQOXRNF-CHWSQXEVSA-N 2 0 271.449 2.000 10 0 CDAERP C[C@H]1[NH2+]CCC[C@@H]1C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000335534587 291188428 /nfs/dbraw/zinc/18/84/28/291188428.db2.gz JYDNQWFMHSXYQA-OCCSQVGLSA-N 2 0 265.401 1.071 10 0 CDAERP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000377522457 291191605 /nfs/dbraw/zinc/19/16/05/291191605.db2.gz DWSRZZXJIBGJGZ-APIJFGDWSA-N 2 0 279.428 1.460 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@H]1NC1CC([NH+]2CCCCC2)C1 ZINC000423096489 359750220 /nfs/dbraw/zinc/75/02/20/359750220.db2.gz PAUPSSCBROSGBR-VXGQWTEUSA-N 2 0 251.418 1.720 10 0 CDAERP [NH3+][C@@H]1C[C@@H](NC[C@@H]2CCCC[N@@H+]2CCO)c2ccccc21 ZINC000423146151 359754239 /nfs/dbraw/zinc/75/42/39/359754239.db2.gz OGPNOOVJPNOJBY-IAOVAPTHSA-N 2 0 289.423 1.568 10 0 CDAERP O=C1NCCC[C@@H]1[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000050395157 359784650 /nfs/dbraw/zinc/78/46/50/359784650.db2.gz HOLWDERSSYHEIJ-AWEZNQCLSA-N 2 0 270.336 1.241 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+]C[C@@]2(C)CCCS2)CC1 ZINC000397561291 366573334 /nfs/dbraw/zinc/57/33/34/366573334.db2.gz RRMDQMHETZQPDM-GFCCVEGCSA-N 2 0 258.431 1.318 10 0 CDAERP C[C@H](CC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)C1CC[NH2+]CC1 ZINC000237580481 359948336 /nfs/dbraw/zinc/94/83/36/359948336.db2.gz GPKZXJBHZIAVPB-YCPHGPKFSA-N 2 0 293.455 1.707 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N2CC[NH+]3CCC2CC3)cc1 ZINC000335465964 360218392 /nfs/dbraw/zinc/21/83/92/360218392.db2.gz YFQJWIFLCVUAOY-UHFFFAOYSA-N 2 0 259.353 1.066 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]C[C@H](CO)c2cccnc2)CC[N@@H+]1C ZINC000348690893 360544263 /nfs/dbraw/zinc/54/42/63/360544263.db2.gz YWBAKZUOOXSCEJ-BPLDGKMQSA-N 2 0 263.385 1.230 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000626934616 360654168 /nfs/dbraw/zinc/65/41/68/360654168.db2.gz KDQZZYPDKPDYQG-CBBWQLFWSA-N 2 0 296.459 1.547 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000417240903 296022199 /nfs/dbraw/zinc/02/21/99/296022199.db2.gz QLFRVIROSCFXSJ-JHJVBQTASA-N 2 0 284.448 1.532 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000349589721 360912462 /nfs/dbraw/zinc/91/24/62/360912462.db2.gz OYOZUOWQNCEIAW-TZMCWYRMSA-N 2 0 282.432 1.205 10 0 CDAERP O=C([C@@H]1C[C@H]1c1c[nH]cn1)N1CC[NH+](C2CCCC2)CC1 ZINC000635224241 360966934 /nfs/dbraw/zinc/96/69/34/360966934.db2.gz XQJRBNDOCVRMDB-ZIAGYGMSSA-N 2 0 288.395 1.600 10 0 CDAERP C[N@@H+]1CC[C@@H](CNC(=O)CC[C@H]2CCCC[NH+]2C)C1 ZINC000431749152 361042393 /nfs/dbraw/zinc/04/23/93/361042393.db2.gz JZDHIUJDHAXAOY-UONOGXRCSA-N 2 0 267.417 1.319 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)[C@@H]2CCC[C@H]21 ZINC000643535742 361211052 /nfs/dbraw/zinc/21/10/52/361211052.db2.gz IJPJAVYIWSQJTQ-BYNSBNAKSA-N 2 0 263.429 1.591 10 0 CDAERP CCC[C@H](C(=O)Nc1cc(C[NH+](C)C)ccn1)[NH+](C)C ZINC000132319718 361221332 /nfs/dbraw/zinc/22/13/32/361221332.db2.gz PAWDWJISUVWASE-CYBMUJFWSA-N 2 0 278.400 1.812 10 0 CDAERP Nc1ccnc(CN2CC[C@H](CNc3ccccn3)C2)n1 ZINC000135091690 361687595 /nfs/dbraw/zinc/68/75/95/361687595.db2.gz FSASLSDXFGUAJV-GFCCVEGCSA-N 2 0 284.367 1.388 10 0 CDAERP O=C([C@@H]1C[NH2+]Cc2ccccc21)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000335423129 296055813 /nfs/dbraw/zinc/05/58/13/296055813.db2.gz KVFXKRKGFQERGG-AEFFLSMTSA-N 2 0 299.418 1.476 10 0 CDAERP CC(C)[N@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H]1CCOC1 ZINC000361409445 364493194 /nfs/dbraw/zinc/49/31/94/364493194.db2.gz VLJSQKVRGYSFHL-QGZVFWFLSA-N 2 0 297.487 1.902 10 0 CDAERP CCC[NH+](CCC)CCC[NH2+]C1CCN(C(N)=O)CC1 ZINC000163870068 364775473 /nfs/dbraw/zinc/77/54/73/364775473.db2.gz PXDMQSKEQVREOO-UHFFFAOYSA-N 2 0 284.448 1.631 10 0 CDAERP CN(C(=O)N[C@H]1CCC[NH2+]CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000641089433 365020136 /nfs/dbraw/zinc/02/01/36/365020136.db2.gz BFEORFDVTAIGJN-GXTWGEPZSA-N 2 0 280.416 1.007 10 0 CDAERP CC[C@@H](Cn1cncn1)[NH2+]CCC1CC[NH+](CC)CC1 ZINC000353260777 365094600 /nfs/dbraw/zinc/09/46/00/365094600.db2.gz GIEYLYZMLVAOQJ-HNNXBMFYSA-N 2 0 279.432 1.768 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1conc1C ZINC000353498448 365259280 /nfs/dbraw/zinc/25/92/80/365259280.db2.gz AHURLKUGCPQVIU-MRXNPFEDSA-N 2 0 294.443 1.831 10 0 CDAERP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](O)CC1CCCC1 ZINC000516563355 366869928 /nfs/dbraw/zinc/86/99/28/366869928.db2.gz GHVRIBSPAFMXDL-GOEBONIOSA-N 2 0 283.460 1.153 10 0 CDAERP CCc1cc(N2CCC([N@H+](C)CCO)CC2)nc(C)n1 ZINC000272893335 365434000 /nfs/dbraw/zinc/43/40/00/365434000.db2.gz OFHOOCXPNMKCRQ-UHFFFAOYSA-N 2 0 278.400 1.240 10 0 CDAERP CC(C)Cc1ncc(C[NH2+]CCCN2CC[NH2+]CC2)s1 ZINC000414783677 241383882 /nfs/dbraw/zinc/38/38/82/241383882.db2.gz QZMLVJDBZRGMRX-UHFFFAOYSA-N 2 0 296.484 1.727 10 0 CDAERP Cc1nn(C)c(C)c1CC[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000415079682 241549048 /nfs/dbraw/zinc/54/90/48/241549048.db2.gz IGVZEEUTSDBWDB-FZMZJTMJSA-N 2 0 264.417 1.557 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000626998717 367220312 /nfs/dbraw/zinc/22/03/12/367220312.db2.gz QXTJJEHUOXLBJA-RRFJBIMHSA-N 2 0 296.459 1.404 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000627052261 367309760 /nfs/dbraw/zinc/30/97/60/367309760.db2.gz MPIULQVWWREKEN-YEKKKDRXSA-N 2 0 280.416 1.051 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NC[C@@]1(C)CCC[NH2+]C1)C2 ZINC000627084461 367403708 /nfs/dbraw/zinc/40/37/08/367403708.db2.gz BCYJKHJNXSWNEU-HRCADAONSA-N 2 0 294.443 1.017 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000627166068 367599596 /nfs/dbraw/zinc/59/95/96/367599596.db2.gz ONLDJZHHZLIIIV-XJFOESAGSA-N 2 0 282.432 1.109 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000627161154 367591129 /nfs/dbraw/zinc/59/11/29/367591129.db2.gz QNNPKKVOSZTHAQ-CBBWQLFWSA-N 2 0 294.443 1.395 10 0 CDAERP CCn1nc(C)c(C[NH2+]CC[C@@H]2CCC[NH2+]C2)c1C ZINC000414855524 367684941 /nfs/dbraw/zinc/68/49/41/367684941.db2.gz WXZIVUBNBCBJIW-AWEZNQCLSA-N 2 0 264.417 1.999 10 0 CDAERP C[C@H]1CC[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)C[NH2+]1 ZINC000627208944 367707217 /nfs/dbraw/zinc/70/72/17/367707217.db2.gz ZZIKWNCGVQRWOY-QWHCGFSZSA-N 2 0 284.448 1.547 10 0 CDAERP CC[NH+](CC)CCC[C@H](C)NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638047363 367777991 /nfs/dbraw/zinc/77/79/91/367777991.db2.gz FMTQZTLCQKXZPR-JSGCOSHPSA-N 2 0 267.417 1.661 10 0 CDAERP C[NH2+]C[C@](C)(O)C[N@H+](C)CCc1ccc(F)cc1 ZINC000567116842 370885490 /nfs/dbraw/zinc/88/54/90/370885490.db2.gz OGSQEYSUARHBHD-AWEZNQCLSA-N 2 0 254.349 1.270 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)C2=CC[C@@H]([NH3+])C2)CC1 ZINC000638074424 368067701 /nfs/dbraw/zinc/06/77/01/368067701.db2.gz AHEGNLDWUXQHGC-CYBMUJFWSA-N 2 0 265.401 1.367 10 0 CDAERP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NC[C@H]([NH3+])c2ccccc2)C1 ZINC000418446390 243088670 /nfs/dbraw/zinc/08/86/70/243088670.db2.gz IBVWDXGSFVDKFI-CFVMTHIKSA-N 2 0 290.411 1.455 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000418584619 243241153 /nfs/dbraw/zinc/24/11/53/243241153.db2.gz CGUDYQBLKFJSEO-HIFRSBDPSA-N 2 0 296.459 1.535 10 0 CDAERP CCCN(CC[NH+](CC)CC)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000418703179 243356243 /nfs/dbraw/zinc/35/62/43/243356243.db2.gz HIXBHJXTHCGYBJ-STQMWFEESA-N 2 0 272.437 1.486 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000418712120 243365177 /nfs/dbraw/zinc/36/51/77/243365177.db2.gz WVXVXAOFLFMARV-OLZOCXBDSA-N 2 0 278.400 1.283 10 0 CDAERP COCCOCCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353495194 368905399 /nfs/dbraw/zinc/90/53/99/368905399.db2.gz GZYICIMNNCDKGH-BZUAXINKSA-N 2 0 284.444 1.892 10 0 CDAERP CC(C)[C@H](C)NC(=O)C1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000420302033 244049567 /nfs/dbraw/zinc/04/95/67/244049567.db2.gz LUSONOKRGIZPBG-LSDHHAIUSA-N 2 0 295.471 1.859 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCN2CCOCC2)[C@H]2CCC[C@H]21 ZINC000367612097 369197858 /nfs/dbraw/zinc/19/78/58/369197858.db2.gz CSTRIKPTHCZASH-OWCLPIDISA-N 2 0 281.444 1.171 10 0 CDAERP Cc1noc(CCC[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)n1 ZINC000420394446 244195016 /nfs/dbraw/zinc/19/50/16/244195016.db2.gz KPFORTHXWPXKSB-KGLIPLIRSA-N 2 0 278.400 1.775 10 0 CDAERP c1ccc(OCCCC[NH2+]CCN2CC[NH2+]CC2)cc1 ZINC000414894246 369410737 /nfs/dbraw/zinc/41/07/37/369410737.db2.gz ZZCCPHPRCMBVEG-UHFFFAOYSA-N 2 0 277.412 1.340 10 0 CDAERP CCN(C(=O)C[NH3+])[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000368454114 369482347 /nfs/dbraw/zinc/48/23/47/369482347.db2.gz OTEXHCRJWWJWGF-HIFRSBDPSA-N 2 0 275.396 1.629 10 0 CDAERP CC(C)[C@@H](C[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)N1CC[NH+](C)CC1 ZINC000638352987 369502602 /nfs/dbraw/zinc/50/26/02/369502602.db2.gz PWCIVTYYVCFTNY-YYIAUSFCSA-N 2 0 279.472 1.894 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000567350496 370962503 /nfs/dbraw/zinc/96/25/03/370962503.db2.gz KJYPBPWZICKNBB-RBSFLKMASA-N 2 0 279.428 1.461 10 0 CDAERP O=C1O[C@H](C[NH+]2CCC(C[NH+]3CCCC3)CC2)CC12CC2 ZINC000369004569 369663340 /nfs/dbraw/zinc/66/33/40/369663340.db2.gz XNTNMMKATUDBCG-HNNXBMFYSA-N 2 0 292.423 1.890 10 0 CDAERP C[C@]1(C(=O)N2CCC([NH+]3CCCC3)CC2)CCCC[NH2+]1 ZINC000136199061 369807701 /nfs/dbraw/zinc/80/77/01/369807701.db2.gz SXFCHBXXOQGEOQ-MRXNPFEDSA-N 2 0 279.428 1.605 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCC[C@H](C)C2)CC[N@@H+]1C ZINC000630744640 369958506 /nfs/dbraw/zinc/95/85/06/369958506.db2.gz YPPUCHMLANQGLL-SOUVJXGZSA-N 2 0 281.444 1.565 10 0 CDAERP O=C(C[C@@H]1CSCC[NH2+]1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371245145 370224121 /nfs/dbraw/zinc/22/41/21/370224121.db2.gz SUKVFMZNCYXYBN-MJBXVCDLSA-N 2 0 297.468 1.072 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)[C@H]2CC)CC1 ZINC000630867518 370251606 /nfs/dbraw/zinc/25/16/06/370251606.db2.gz BQCKCGWUXDCHJX-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCC1([NH3+])CCCCCC1 ZINC000566087038 370603362 /nfs/dbraw/zinc/60/33/62/370603362.db2.gz PMYVWFVBKQCUSQ-CQSZACIVSA-N 2 0 296.459 1.774 10 0 CDAERP C[C@H](N[C@H](Cc1ccccc1)C[NH+](C)C)[C@H]1CCC[NH2+]1 ZINC000422720845 245177488 /nfs/dbraw/zinc/17/74/88/245177488.db2.gz TZYHHWSMWATITF-USXIJHARSA-N 2 0 275.440 1.889 10 0 CDAERP COCCC[N@H+](C)CCN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@H]21 ZINC000375897849 371021482 /nfs/dbraw/zinc/02/14/82/371021482.db2.gz MAYIETFWGOMVOJ-ARFHVFGLSA-N 2 0 283.460 1.417 10 0 CDAERP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)C1CC1 ZINC000340493539 371133917 /nfs/dbraw/zinc/13/39/17/371133917.db2.gz VHEJBSGZESNXRV-LJISPDSOSA-N 2 0 252.402 1.874 10 0 CDAERP CN(C(=O)NCC1([NH3+])CCCCC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000567715614 371117139 /nfs/dbraw/zinc/11/71/39/371117139.db2.gz KTSOWOVZWJNHKP-CQSZACIVSA-N 2 0 294.443 1.526 10 0 CDAERP C[C@H](NCC[N@@H+]1CCCC[C@@H]1C)[C@H]1CCCC[NH2+]1 ZINC000422855816 245339429 /nfs/dbraw/zinc/33/94/29/245339429.db2.gz FFZXINMSMVSLJU-SOUVJXGZSA-N 2 0 253.434 1.981 10 0 CDAERP COc1nccnc1CN1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000295599097 371362422 /nfs/dbraw/zinc/36/24/22/371362422.db2.gz CRXNATHNBPFFPN-OCCSQVGLSA-N 2 0 276.384 1.401 10 0 CDAERP Fc1cc(C[NH2+]CCCC[NH+]2CCOCC2)c(F)cn1 ZINC000296610470 371840192 /nfs/dbraw/zinc/84/01/92/371840192.db2.gz ZEZSFQYICJGAQG-UHFFFAOYSA-N 2 0 285.338 1.562 10 0 CDAERP Cn1ccnc1[C@H]1CCN(c2ncnc3c2CN(C)CC3)C1 ZINC000378266686 371892756 /nfs/dbraw/zinc/89/27/56/371892756.db2.gz JTHWKRALAXDYHQ-LBPRGKRZSA-N 2 0 298.394 1.192 10 0 CDAERP CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000578363394 372422103 /nfs/dbraw/zinc/42/21/03/372422103.db2.gz LTUKDEWDNVASRX-KBPBESRZSA-N 2 0 281.375 1.358 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000333165598 205085410 /nfs/dbraw/zinc/08/54/10/205085410.db2.gz HHHDHDFCMCOEAT-CQSZACIVSA-N 2 0 282.432 1.301 10 0 CDAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000333451240 205330694 /nfs/dbraw/zinc/33/06/94/205330694.db2.gz XNWICEVYTZSUGY-MCIONIFRSA-N 2 0 282.432 1.014 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCN1CCC[NH+](C2CC2)CC1 ZINC000179247951 372991291 /nfs/dbraw/zinc/99/12/91/372991291.db2.gz UBEJQPLJQHFJAR-AWEZNQCLSA-N 2 0 251.418 1.641 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC[N@@H+]1C ZINC000630898088 373060340 /nfs/dbraw/zinc/06/03/40/373060340.db2.gz MMGOKFHVIWPWHE-LSDHHAIUSA-N 2 0 299.378 1.936 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)C2CCCC2)CC[N@@H+]1C ZINC000630936008 373415909 /nfs/dbraw/zinc/41/59/09/373415909.db2.gz PDLUIZBBIFQBEW-LSDHHAIUSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1C ZINC000341184944 373397819 /nfs/dbraw/zinc/39/78/19/373397819.db2.gz SFLZYCODWDOIAG-UMVBOHGHSA-N 2 0 294.443 1.347 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)C[NH+](C)C ZINC000341307672 373591179 /nfs/dbraw/zinc/59/11/79/373591179.db2.gz SKFRABPQVVPRFC-QWHCGFSZSA-N 2 0 255.406 1.175 10 0 CDAERP Cc1nccn1C[C@@H]1CCC[N@@H+]1C[C@@](C)(O)C(F)(F)F ZINC000253396734 373686355 /nfs/dbraw/zinc/68/63/55/373686355.db2.gz NVPKGDYAFLFJOB-NWDGAFQWSA-N 2 0 291.317 1.969 10 0 CDAERP C[C@@H]1C[C@H](C)[N@H+](C[C@@H]2CCc3ncnn32)C[C@@H]1C[NH3+] ZINC000631828795 373721983 /nfs/dbraw/zinc/72/19/83/373721983.db2.gz YTEPOMJDUVNURC-VOAKCMCISA-N 2 0 263.389 1.071 10 0 CDAERP CCn1nccc1CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631888947 374564999 /nfs/dbraw/zinc/56/49/99/374564999.db2.gz AAOVWFVQIXXYSG-UKRRQHHQSA-N 2 0 262.401 1.519 10 0 CDAERP CC[NH+](CC)CCN1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000119661381 374565857 /nfs/dbraw/zinc/56/58/57/374565857.db2.gz LLXHGWCDQTZDML-INIZCTEOSA-N 2 0 282.476 1.040 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cc(C)no2)CC1 ZINC000631042347 374639594 /nfs/dbraw/zinc/63/95/94/374639594.db2.gz PSYQZPFAPAUPQC-CYBMUJFWSA-N 2 0 266.389 1.099 10 0 CDAERP CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)[C@H](C)[NH3+])c1ccco1 ZINC000417311710 375762224 /nfs/dbraw/zinc/76/22/24/375762224.db2.gz MJJZQOUEZIKUGR-YNEHKIRRSA-N 2 0 296.415 1.697 10 0 CDAERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc(C)ncn2)C1 ZINC000428205357 247258577 /nfs/dbraw/zinc/25/85/77/247258577.db2.gz HPISRBUWJJTBLP-MRXNPFEDSA-N 2 0 292.427 1.718 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000428461401 247305983 /nfs/dbraw/zinc/30/59/83/247305983.db2.gz LPPLKTGFUNBQRV-WBMJQRKESA-N 2 0 286.379 1.778 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+](CC)CC)C2)CC[N@@H+]1C ZINC000631556731 376364305 /nfs/dbraw/zinc/36/43/05/376364305.db2.gz BSNBSZQFMNPRBB-QLFBSQMISA-N 2 0 281.444 1.659 10 0 CDAERP CCN(CC(F)(F)F)C(=O)CN1CCCC[C@@H]1CC[NH3+] ZINC000631826140 376655384 /nfs/dbraw/zinc/65/53/84/376655384.db2.gz FVJJVQMDZHFHMM-LLVKDONJSA-N 2 0 295.349 1.601 10 0 CDAERP C[C@@H]1C[N@H+](Cc2cnn(-c3ccccc3)c2)C[C@H]1C[NH3+] ZINC000631842353 376700366 /nfs/dbraw/zinc/70/03/66/376700366.db2.gz ZHSGOVNPKRNFRM-UKRRQHHQSA-N 2 0 270.380 1.899 10 0 CDAERP COc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000631842983 376702328 /nfs/dbraw/zinc/70/23/28/376702328.db2.gz IEPJHEDVBICHHL-QWHCGFSZSA-N 2 0 264.369 1.601 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N2CC[C@@](C)(C[NH3+])C2)CC1 ZINC000417399105 376925798 /nfs/dbraw/zinc/92/57/98/376925798.db2.gz YVFHFSBJMSNKRU-INIZCTEOSA-N 2 0 296.459 1.489 10 0 CDAERP O=C(NC1CC[NH+](C2CC2)CC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171899772 377153328 /nfs/dbraw/zinc/15/33/28/377153328.db2.gz JZINAOLTBIKFAD-HNNXBMFYSA-N 2 0 292.427 1.103 10 0 CDAERP Cc1ccc([C@H]([NH3+])C(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000334656495 377229949 /nfs/dbraw/zinc/22/99/49/377229949.db2.gz ZBROAMSPFVNHEL-RYUDHWBXSA-N 2 0 283.322 1.108 10 0 CDAERP C[C@H](O)CC[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000425430812 377334651 /nfs/dbraw/zinc/33/46/51/377334651.db2.gz GOJBTOKQRYWHMQ-HNNXBMFYSA-N 2 0 283.460 1.107 10 0 CDAERP CC(C)[N@@H+]1CCCN(C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000334928961 377694151 /nfs/dbraw/zinc/69/41/51/377694151.db2.gz LOVULSYMQRFFHL-AWEZNQCLSA-N 2 0 282.432 1.254 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000193319535 378274020 /nfs/dbraw/zinc/27/40/20/378274020.db2.gz SJNITLWPAWJLOF-STQMWFEESA-N 2 0 255.406 1.447 10 0 CDAERP C[C@@H](O)C[NH+]1CCC(C[NH2+]C[C@H]2CCCCO2)CC1 ZINC000069569127 378309370 /nfs/dbraw/zinc/30/93/70/378309370.db2.gz FVATTXXJGMDNFB-UKRRQHHQSA-N 2 0 270.417 1.238 10 0 CDAERP CC[C@H](C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1)OC ZINC000662326538 412896472 /nfs/dbraw/zinc/89/64/72/412896472.db2.gz VQMRVXYMTTZMHL-KGLIPLIRSA-N 2 0 258.406 1.454 10 0 CDAERP C[NH+](C)CCC[C@H]1C[N@H+](CCC[C@@H]2CCOC2)CCO1 ZINC000662326541 412896566 /nfs/dbraw/zinc/89/65/66/412896566.db2.gz VRJZJLFNYLFPTC-CVEARBPZSA-N 2 0 284.444 1.846 10 0 CDAERP CN(CC[C@@H]1CCC[NH2+]C1)[C@@H](C[NH3+])C(F)(F)F ZINC000662330985 412902023 /nfs/dbraw/zinc/90/20/23/412902023.db2.gz DLRGMJMRZDGSCQ-UWVGGRQHSA-N 2 0 253.312 1.198 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000634121744 379061098 /nfs/dbraw/zinc/06/10/98/379061098.db2.gz FHBCDIBGTTYFQX-AWEZNQCLSA-N 2 0 283.460 1.905 10 0 CDAERP Cc1nn(C)cc1C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000657574029 412906782 /nfs/dbraw/zinc/90/67/82/412906782.db2.gz WTYJFPIYUTWPNK-ZDUSSCGKSA-N 2 0 281.448 1.090 10 0 CDAERP CC(C)[C@H]1CN(C(=O)c2ccc3c(c2)C[NH2+]C3)CC[N@@H+]1C ZINC000634300984 379357985 /nfs/dbraw/zinc/35/79/85/379357985.db2.gz SWLPKIDGANKNKM-MRXNPFEDSA-N 2 0 287.407 1.702 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)CC1CC[NH+](C)CC1 ZINC000347517044 296311226 /nfs/dbraw/zinc/31/12/26/296311226.db2.gz ICBHMIHIJZYASY-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H](CNC(=O)C[C@H]1CC[NH2+]C1)[N@@H+]1CCC[C@H](C)C1 ZINC000662388702 412950736 /nfs/dbraw/zinc/95/07/36/412950736.db2.gz SREOLXWLCQUYEI-BFHYXJOUSA-N 2 0 267.417 1.223 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC ZINC001662929730 1172616867 /nfs/dbraw/zinc/61/68/67/1172616867.db2.gz AUUDJPVUMXDEER-OLZOCXBDSA-N 2 0 255.406 1.365 10 0 CDAERP OCC[N@@H+]1CCCC[C@@H]1CN[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000449392835 285259057 /nfs/dbraw/zinc/25/90/57/285259057.db2.gz LERTUSALEWYZOW-HRCADAONSA-N 2 0 281.444 1.050 10 0 CDAERP [NH3+]CCC[N@@H+]1CCCN(Cc2cc(F)ccc2F)CC1 ZINC000094622377 184828238 /nfs/dbraw/zinc/82/82/38/184828238.db2.gz GEQJTZKMAGWONE-UHFFFAOYSA-N 2 0 283.366 1.821 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2C[NH+](C)C[C@@H]21 ZINC000646918970 390289783 /nfs/dbraw/zinc/28/97/83/390289783.db2.gz BYBXGVSIZPSSHM-MCIONIFRSA-N 2 0 265.401 1.023 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NC2CCC([NH3+])CC2)[C@H](C)C1 ZINC000335301223 285367645 /nfs/dbraw/zinc/36/76/45/285367645.db2.gz GQVRQKGIFUKFST-XSCHDIRWSA-N 2 0 296.459 1.628 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000646986415 390333914 /nfs/dbraw/zinc/33/39/14/390333914.db2.gz AYGQKDKYNAJLKO-UONOGXRCSA-N 2 0 267.417 1.509 10 0 CDAERP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000646988446 390339201 /nfs/dbraw/zinc/33/92/01/390339201.db2.gz QDUKTGPOWSUMFT-BFHYXJOUSA-N 2 0 267.417 1.542 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC(C)([NH3+])CC1 ZINC000646993723 390340256 /nfs/dbraw/zinc/34/02/56/390340256.db2.gz GJUVNIWEFRNTCP-CYBMUJFWSA-N 2 0 267.417 1.591 10 0 CDAERP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CCOC2(CCSCC2)C1 ZINC000358318117 390569684 /nfs/dbraw/zinc/56/96/84/390569684.db2.gz LYDGZVWWZVKOLF-MCIONIFRSA-N 2 0 284.469 1.971 10 0 CDAERP C[NH+](C)CCn1ccc(NC(=O)c2ccc(C[NH3+])cc2)n1 ZINC000236999551 390611596 /nfs/dbraw/zinc/61/15/96/390611596.db2.gz JUGJJCJBNNWUTH-UHFFFAOYSA-N 2 0 287.367 1.156 10 0 CDAERP C[C@@H]([NH2+]CC(C)(C)[C@]1(O)CCOC1)C1CC[NH+](C)CC1 ZINC000647341661 390943360 /nfs/dbraw/zinc/94/33/60/390943360.db2.gz ZMJKOGBRCYFZBD-CJNGLKHVSA-N 2 0 284.444 1.484 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)NC[C@H](C)C[NH3+])CC1 ZINC000417752048 391027396 /nfs/dbraw/zinc/02/73/96/391027396.db2.gz QGKNJGDKPNGHDX-GFCCVEGCSA-N 2 0 270.421 1.002 10 0 CDAERP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1cccc2cnccc21 ZINC000647486075 390968735 /nfs/dbraw/zinc/96/87/35/390968735.db2.gz GKHXTCPMXYCCOL-UHFFFAOYSA-N 2 0 298.390 1.098 10 0 CDAERP CC(C)C[C@H]([NH3+])C[NH2+]CCn1cnc2ccccc21 ZINC000415076602 390986778 /nfs/dbraw/zinc/98/67/78/390986778.db2.gz DBFPHLUCGRNVJW-ZDUSSCGKSA-N 2 0 260.385 1.999 10 0 CDAERP C[N@@H+]1CCC[C@@H](CNC(=O)NCC[NH3+])[C@H]1c1cccs1 ZINC000417732252 390993646 /nfs/dbraw/zinc/99/36/46/390993646.db2.gz GYDNWVYHPQPQEG-AAEUAGOBSA-N 2 0 296.440 1.389 10 0 CDAERP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C2CCC2)C1 ZINC000647553167 390998803 /nfs/dbraw/zinc/99/88/03/390998803.db2.gz FSJBEWWZKOSKEZ-GOEBONIOSA-N 2 0 293.455 1.838 10 0 CDAERP [NH3+]CC(=O)N1CCC[C@@H](C[NH2+]CC2CCC(F)CC2)C1 ZINC000647553367 391000573 /nfs/dbraw/zinc/00/05/73/391000573.db2.gz XFURPPVVSXAEOQ-MOKVOYLWSA-N 2 0 285.407 1.302 10 0 CDAERP Cc1nn(C)c(C)c1CC[NH2+][C@H](C)C[C@H]1CCC[NH2+]1 ZINC000415085261 391004505 /nfs/dbraw/zinc/00/45/05/391004505.db2.gz PSNPIVARIIPUEZ-BXUZGUMPSA-N 2 0 264.417 1.700 10 0 CDAERP CC(C)C[C@@H](CO)[N@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000337313305 391109111 /nfs/dbraw/zinc/10/91/11/391109111.db2.gz GQFRKNCBTRFURB-KRWDZBQOSA-N 2 0 299.503 1.741 10 0 CDAERP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527654889 391088331 /nfs/dbraw/zinc/08/83/31/391088331.db2.gz VWMNUHIGTFRAEH-UKMLZYKCSA-N 2 0 293.455 1.598 10 0 CDAERP CSCCC[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000173682283 533562456 /nfs/dbraw/zinc/56/24/56/533562456.db2.gz VOHHQWOEIGICQY-CYBMUJFWSA-N 2 0 274.474 1.764 10 0 CDAERP [NH3+][C@@H]1CC[C@@H](C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000228216662 391221039 /nfs/dbraw/zinc/22/10/39/391221039.db2.gz UMXHZZBSIFCJLR-MCIONIFRSA-N 2 0 265.401 1.201 10 0 CDAERP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCCc3n[nH]cc32)CC1 ZINC000367620499 391249203 /nfs/dbraw/zinc/24/92/03/391249203.db2.gz YBGKWVATUDHAAP-HNNXBMFYSA-N 2 0 291.443 1.403 10 0 CDAERP C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)OC[C@@H]1CCCO1 ZINC000647903585 391201350 /nfs/dbraw/zinc/20/13/50/391201350.db2.gz MNMNCWKDWMEABD-JYJNAYRXSA-N 2 0 282.428 1.646 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000417798056 391204271 /nfs/dbraw/zinc/20/42/71/391204271.db2.gz QIXMGJRIYNVMOW-UONOGXRCSA-N 2 0 275.396 1.581 10 0 CDAERP C[C@H](NC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)C(C)(C)C[NH+](C)C ZINC000417855352 533604388 /nfs/dbraw/zinc/60/43/88/533604388.db2.gz KZOLLCPZBBWUDM-MJBXVCDLSA-N 2 0 296.459 1.356 10 0 CDAERP C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H]1c1ccccc1 ZINC000270664320 391278710 /nfs/dbraw/zinc/27/87/10/391278710.db2.gz OSVIPFDWEJDYKA-XHSDSOJGSA-N 2 0 287.407 1.642 10 0 CDAERP C[NH+](C)C[C@@H](NC(=O)NCCC[NH3+])c1ccc(Cl)cc1 ZINC000418306703 391294859 /nfs/dbraw/zinc/29/48/59/391294859.db2.gz BTOWJALQXBMTFW-CYBMUJFWSA-N 2 0 298.818 1.591 10 0 CDAERP Nc1cc[nH+]cc1C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000648105123 391338729 /nfs/dbraw/zinc/33/87/29/391338729.db2.gz YAPRMINRBHIYOE-RISCZKNCSA-N 2 0 274.368 1.098 10 0 CDAERP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N[C@@H](C)[C@@H](C)[NH3+])cc1 ZINC000418357496 391385090 /nfs/dbraw/zinc/38/50/90/391385090.db2.gz QSPUCWNUUUOQLP-TYNCELHUSA-N 2 0 292.427 1.845 10 0 CDAERP CC(C)[C@@H]1CC[C@@H]([NH2+]CCN2CC[NH2+]CC2)C[C@@H]1C ZINC000414873454 391486090 /nfs/dbraw/zinc/48/60/90/391486090.db2.gz XNZSQKUSOSOUIA-XHSDSOJGSA-N 2 0 267.461 1.942 10 0 CDAERP Nc1nc(N2CCC[C@@H](CC[NH3+])C2)c2c([nH+]1)CCCC2 ZINC000647707275 391447122 /nfs/dbraw/zinc/44/71/22/391447122.db2.gz ABGMUHGLQMAFQG-NSHDSACASA-N 2 0 275.400 1.333 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)C2=CC[C@H]([NH3+])C2)CC1 ZINC000638981707 391479520 /nfs/dbraw/zinc/47/95/20/391479520.db2.gz XNVYSZRTTYBFEU-ZDUSSCGKSA-N 2 0 265.401 1.367 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C(=O)N2CCCC2)CC[N@@H+]1C ZINC000528015372 391578140 /nfs/dbraw/zinc/57/81/40/391578140.db2.gz KXIQDKJISNWGQY-KBPBESRZSA-N 2 0 281.444 1.707 10 0 CDAERP OC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccsc1 ZINC000647795669 391641713 /nfs/dbraw/zinc/64/17/13/391641713.db2.gz SWTHRSZPNKBAOE-ASEORRQLSA-N 2 0 266.410 1.759 10 0 CDAERP CO[C@H](C)C[NH+]1CCC[C@@H]([N@@H+](C)C[C@H](C)OC)CC1 ZINC000360206680 391646951 /nfs/dbraw/zinc/64/69/51/391646951.db2.gz BIVMCDOZTADOFY-RRFJBIMHSA-N 2 0 272.433 1.843 10 0 CDAERP CC(C)(C)[C@H](O)C[C@H](CO)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647797127 391649498 /nfs/dbraw/zinc/64/94/98/391649498.db2.gz ZPLFADIUYSQRBZ-NJVJYBDUSA-N 2 0 284.444 1.122 10 0 CDAERP FCC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCOCC1 ZINC000647798448 391660385 /nfs/dbraw/zinc/66/03/85/391660385.db2.gz QTGPHVAFQKQCPN-MELADBBJSA-N 2 0 270.392 1.730 10 0 CDAERP Cn1cnc(CCC[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)n1 ZINC000647801150 391664256 /nfs/dbraw/zinc/66/42/56/391664256.db2.gz PPQXPQLGRQKNQD-KGLIPLIRSA-N 2 0 271.368 1.482 10 0 CDAERP C[C@H]1[C@H](NC(=O)NCCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000418191959 391794680 /nfs/dbraw/zinc/79/46/80/391794680.db2.gz LTNTZTDOGBXQEU-DZGCQCFKSA-N 2 0 290.411 1.297 10 0 CDAERP C[NH+]1CCC2(CC1)C[N@H+](CC1=CCCC1)CCO2 ZINC000646106716 392016854 /nfs/dbraw/zinc/01/68/54/392016854.db2.gz NGTLJEKISXOAJK-UHFFFAOYSA-N 2 0 250.386 1.893 10 0 CDAERP COc1nccnc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000648560927 392008610 /nfs/dbraw/zinc/00/86/10/392008610.db2.gz UOHKENFJZFEDFX-UHFFFAOYSA-N 2 0 276.384 1.449 10 0 CDAERP CC(C)[C@@H]([NH3+])C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000649319122 392012987 /nfs/dbraw/zinc/01/29/87/392012987.db2.gz IVMYDOMFQPHDSQ-GFCCVEGCSA-N 2 0 259.313 1.189 10 0 CDAERP C[C@@H]1CC[N@H+](CCNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000649341948 392070626 /nfs/dbraw/zinc/07/06/26/392070626.db2.gz CELQJPDPBQMAQK-ILXRZTDVSA-N 2 0 281.444 1.742 10 0 CDAERP C[NH+](C)C1CC(NC(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000646108450 392020194 /nfs/dbraw/zinc/02/01/94/392020194.db2.gz CLCVLIUPYHPMKY-MOKVOYLWSA-N 2 0 267.417 1.460 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000649337482 392060673 /nfs/dbraw/zinc/06/06/73/392060673.db2.gz PJCODVIKFZAZTM-UPJWGTAASA-N 2 0 265.401 1.070 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000380668895 392182324 /nfs/dbraw/zinc/18/23/24/392182324.db2.gz VTIMPLFIEAGBCW-ZFWWWQNUSA-N 2 0 281.444 1.550 10 0 CDAERP CN(C(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1nccs1 ZINC000649418203 392204659 /nfs/dbraw/zinc/20/46/59/392204659.db2.gz HWRBSPBYHXYFOL-TXEJJXNPSA-N 2 0 294.424 1.037 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H](CO)Cc1ccc(F)c(F)c1 ZINC000423072784 392316198 /nfs/dbraw/zinc/31/61/98/392316198.db2.gz JVQAHJZMVJWJNN-HEHGZKQESA-N 2 0 298.377 1.833 10 0 CDAERP CCC[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccccn1 ZINC000423187507 392426730 /nfs/dbraw/zinc/42/67/30/392426730.db2.gz XYQKWUUMTABCFG-HNNXBMFYSA-N 2 0 276.428 1.808 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NCCC[NH2+]Cc1cccnc1 ZINC000423189035 392428889 /nfs/dbraw/zinc/42/88/89/392428889.db2.gz OPGZQWACKGFZKF-RHSMWYFYSA-N 2 0 288.439 1.634 10 0 CDAERP CC[NH+](CC)CCC[C@@H](C)NC(=O)CN1CC(C)(C)C1 ZINC000568194508 392398041 /nfs/dbraw/zinc/39/80/41/392398041.db2.gz KNELSFCUWPECBN-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CC1(COC)CCCC1 ZINC000423158246 392398248 /nfs/dbraw/zinc/39/82/48/392398248.db2.gz CQBRRWWBPJAVDS-CYBMUJFWSA-N 2 0 258.406 1.537 10 0 CDAERP COc1ccc([C@H](NCC(C)(C)[NH3+])[C@H]2CCC[NH2+]2)cc1 ZINC000423287336 392489309 /nfs/dbraw/zinc/48/93/09/392489309.db2.gz LOVHGORACJSRCL-CABCVRRESA-N 2 0 277.412 1.815 10 0 CDAERP COc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH3+])cc1NC(C)=O ZINC000423299176 392494601 /nfs/dbraw/zinc/49/46/01/392494601.db2.gz POAOHMSIHYXYLP-MNOVXSKESA-N 2 0 279.384 1.899 10 0 CDAERP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NCC[N@H+]1CC=CCC1 ZINC000646557812 392559606 /nfs/dbraw/zinc/55/96/06/392559606.db2.gz XBUVOCLIOGURQJ-GJZGRUSLSA-N 2 0 279.428 1.662 10 0 CDAERP C[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1CC1(C)C ZINC000423391416 392572259 /nfs/dbraw/zinc/57/22/59/392572259.db2.gz PKAXGYAPHBUFNY-SDDRHHMPSA-N 2 0 293.377 1.847 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000646656936 392623437 /nfs/dbraw/zinc/62/34/37/392623437.db2.gz XUCGTABBEJVKJE-UONOGXRCSA-N 2 0 267.417 1.591 10 0 CDAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)CN3CC(C)(C)C3)CC[C@H]21 ZINC000517171694 392846133 /nfs/dbraw/zinc/84/61/33/392846133.db2.gz DXFPMHMETYVYOF-ZIAGYGMSSA-N 2 0 279.428 1.271 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)[C@H]1C ZINC000495080901 393172516 /nfs/dbraw/zinc/17/25/16/393172516.db2.gz SQHSOYMOZCYNHA-RFGFWPKPSA-N 2 0 267.417 1.208 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)[C@@H]1C ZINC000494980486 393146822 /nfs/dbraw/zinc/14/68/22/393146822.db2.gz ZNNZJEMQZMQFDB-MGPQQGTHSA-N 2 0 253.434 1.647 10 0 CDAERP C[C@@H]1[C@H](C(=O)NCC[NH+]2[C@H](C)CCC[C@@H]2C)CC[N@@H+]1C ZINC000648775549 393326225 /nfs/dbraw/zinc/32/62/25/393326225.db2.gz OHHSSCLYMGRLHV-LXTVHRRPSA-N 2 0 281.444 1.706 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1ccc(C[NH3+])o1 ZINC000645951178 393427061 /nfs/dbraw/zinc/42/70/61/393427061.db2.gz HLTJQPYRZOGDAJ-TXEJJXNPSA-N 2 0 279.384 1.731 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000187796215 140082960 /nfs/dbraw/zinc/08/29/60/140082960.db2.gz DMDSXZFKVSXYBU-KGLIPLIRSA-N 2 0 284.448 1.310 10 0 CDAERP Cn1cc([C@H]2CC[N@H+](CC[C@H]3CCC[NH+]3C)C2)cn1 ZINC000245703026 140274483 /nfs/dbraw/zinc/27/44/83/140274483.db2.gz XXRRRWGNMJRYHK-DZGCQCFKSA-N 2 0 262.401 1.694 10 0 CDAERP CC1(C)CN(Cc2cccc3c2OCO3)CC[C@H]1[NH3+] ZINC000261602600 140362285 /nfs/dbraw/zinc/36/22/85/140362285.db2.gz ANGKLWGHJRMEIR-CYBMUJFWSA-N 2 0 262.353 1.975 10 0 CDAERP Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2C[C@@]2(C)CC[NH2+]C2)cn1 ZINC000261761751 140385548 /nfs/dbraw/zinc/38/55/48/140385548.db2.gz LMMVUVPYGWGPSQ-OAGGEKHMSA-N 2 0 292.427 1.308 10 0 CDAERP O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261832626 140396143 /nfs/dbraw/zinc/39/61/43/140396143.db2.gz OXAHAUXYBINLHQ-QMHWVQJVSA-N 2 0 291.439 1.365 10 0 CDAERP Cc1ccc(C(=O)NCC[NH2+][C@H](C)[C@H]2CC[NH2+]C2)cc1 ZINC000400544066 292072390 /nfs/dbraw/zinc/07/23/90/292072390.db2.gz VNINEQDMTIMJME-HIFRSBDPSA-N 2 0 275.396 1.312 10 0 CDAERP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656200549 413097689 /nfs/dbraw/zinc/09/76/89/413097689.db2.gz PFAXBTCZGJISGD-MUGRSDNVSA-N 2 0 281.444 1.357 10 0 CDAERP COc1c(C)cccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000656200278 413098086 /nfs/dbraw/zinc/09/80/86/413098086.db2.gz KTIWNOBOESJYSL-NWANDNLSSA-N 2 0 278.396 1.846 10 0 CDAERP CCOC[C@@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658068702 413168517 /nfs/dbraw/zinc/16/85/17/413168517.db2.gz YLXIKHUMPOLKOL-CQSZACIVSA-N 2 0 284.444 1.892 10 0 CDAERP CC1(C)C[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)CCO1 ZINC000389273489 397855730 /nfs/dbraw/zinc/85/57/30/397855730.db2.gz IKGOKLNGECGBMU-KBPBESRZSA-N 2 0 270.417 1.380 10 0 CDAERP C[NH+](C)CCOCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353669356 289170083 /nfs/dbraw/zinc/17/00/83/289170083.db2.gz IXGGQFFVYGDFLJ-RRFJBIMHSA-N 3 0 269.433 1.027 10 0 CDAERP COC[C@@H](CC[NH2+]C1CC[NH+](C(C)C)CC1)OC ZINC000658083737 413186656 /nfs/dbraw/zinc/18/66/56/413186656.db2.gz BDVCKLPQOAEWCI-CQSZACIVSA-N 2 0 258.406 1.500 10 0 CDAERP C[C@H]([NH2+][C@H]1C[C@@H](C)n2ncnc21)C1CC[NH+](C)CC1 ZINC000658097510 413195136 /nfs/dbraw/zinc/19/51/36/413195136.db2.gz IMJPZLHKDYSZCW-MDZLAQPJSA-N 2 0 263.389 1.604 10 0 CDAERP CCC[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001663968019 1172796379 /nfs/dbraw/zinc/79/63/79/1172796379.db2.gz NGQNBLDGKVDSFT-CYBMUJFWSA-N 2 0 255.406 1.319 10 0 CDAERP CCn1ccnc1[C@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000658105617 413204542 /nfs/dbraw/zinc/20/45/42/413204542.db2.gz BGDYHVPVHKXPCY-GJZGRUSLSA-N 2 0 295.475 1.826 10 0 CDAERP CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658135616 413226749 /nfs/dbraw/zinc/22/67/49/413226749.db2.gz ABBSYBTYPPIEBE-JJRVBVJISA-N 2 0 292.423 1.766 10 0 CDAERP CC[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)C[C@@H]1N1CCOCC1 ZINC000262017302 149002178 /nfs/dbraw/zinc/00/21/78/149002178.db2.gz VTUXMLCZGOHENR-OAGGEKHMSA-N 2 0 281.444 1.029 10 0 CDAERP COCCOC1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000262074209 149009964 /nfs/dbraw/zinc/00/99/64/149009964.db2.gz SJBQLGGRTNMUTD-AWEZNQCLSA-N 2 0 256.390 1.113 10 0 CDAERP C[C@H](C[NH3+])C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000334305731 149458951 /nfs/dbraw/zinc/45/89/51/149458951.db2.gz GNNSKXPCNHOWQI-MRVPVSSYSA-N 2 0 251.305 1.005 10 0 CDAERP C[C@H](C(=O)N1CC[NH+]2CCC1CC2)[C@@H]([NH3+])c1ccccc1 ZINC000335037369 150213480 /nfs/dbraw/zinc/21/34/80/150213480.db2.gz ISLYXDFDMHYYJL-XJKSGUPXSA-N 2 0 287.407 1.629 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+]1CCCC1 ZINC000343489076 152201093 /nfs/dbraw/zinc/20/10/93/152201093.db2.gz KJHYLXANOPTVIQ-AWEZNQCLSA-N 2 0 267.417 1.415 10 0 CDAERP CCC[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)C(C)C ZINC001664534529 1172866862 /nfs/dbraw/zinc/86/68/62/1172866862.db2.gz FOHUJDLQIWQYFA-UHFFFAOYSA-N 2 0 283.460 1.955 10 0 CDAERP C[NH+](C)CCc1cn([C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000656455681 413280641 /nfs/dbraw/zinc/28/06/41/413280641.db2.gz MVELBFLIKPAZPG-QGZVFWFLSA-N 2 0 299.422 1.829 10 0 CDAERP CC(C)([NH3+])c1cc(C(=O)NC2CC[NH+](C3CC3)CC2)on1 ZINC000662671941 413287015 /nfs/dbraw/zinc/28/70/15/413287015.db2.gz SRQBGKFBJYFMED-UHFFFAOYSA-N 2 0 292.383 1.225 10 0 CDAERP O=C(NCCC[NH+]1CCCC1)C1([NH2+]C2CC2)CCC1 ZINC000662670116 413287251 /nfs/dbraw/zinc/28/72/51/413287251.db2.gz DMWRSHHFZXVNKP-UHFFFAOYSA-N 2 0 265.401 1.263 10 0 CDAERP CC(C)[C@H]([NH3+])C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000662685921 413309118 /nfs/dbraw/zinc/30/91/18/413309118.db2.gz IMPZGIYHDHCIRQ-KGLIPLIRSA-N 2 0 277.368 1.269 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CCOC2)[C@@H]2CCC[C@@H]21 ZINC000353693113 156017999 /nfs/dbraw/zinc/01/79/99/156017999.db2.gz WUHCODIJACNZNJ-QPSCCSFWSA-N 2 0 252.402 1.875 10 0 CDAERP [NH3+]Cc1ccc(-c2cn([C@@H]3CCC[NH2+]C3)nn2)cc1 ZINC000656467476 413324730 /nfs/dbraw/zinc/32/47/30/413324730.db2.gz DKJKXDCCKGEHIV-CYBMUJFWSA-N 2 0 257.341 1.328 10 0 CDAERP C[C@H](C(=O)N1CCO[C@H](C[NH+](C)C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000246953915 298065021 /nfs/dbraw/zinc/06/50/21/298065021.db2.gz CZXBOBMHVMYTCI-LXTVHRRPSA-N 2 0 297.443 1.037 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000662702697 413349340 /nfs/dbraw/zinc/34/93/40/413349340.db2.gz CMSCLANHJDDBEZ-KKUMJFAQSA-N 2 0 281.444 1.885 10 0 CDAERP CSC1(C[NH2+]CCCC[NH+]2CCOCC2)CCC1 ZINC000356179313 157385654 /nfs/dbraw/zinc/38/56/54/157385654.db2.gz VMOJLDUHGPESTE-UHFFFAOYSA-N 2 0 272.458 1.974 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662703043 413347899 /nfs/dbraw/zinc/34/78/99/413347899.db2.gz OJDQULUBSBKDAA-LLVKDONJSA-N 2 0 253.390 1.104 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C[C@H](O)C(F)(F)F)C[C@@H]1C ZINC000358969634 158086509 /nfs/dbraw/zinc/08/65/09/158086509.db2.gz IMYBLSPORAJKED-DCAQKATOSA-N 2 0 268.323 1.714 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001665659683 1173034254 /nfs/dbraw/zinc/03/42/54/1173034254.db2.gz PWQSFAZFGQEMCA-ZIAGYGMSSA-N 2 0 269.433 1.517 10 0 CDAERP CCC[NH+]1CCN([C@H](C[NH3+])c2cccc(OC)c2)CC1 ZINC000020179576 171044570 /nfs/dbraw/zinc/04/45/70/171044570.db2.gz BNHWHPXSSNSMOP-MRXNPFEDSA-N 2 0 277.412 1.723 10 0 CDAERP CCC[NH+]1CCC(C[NH3+])(N2CCSCC2)CC1 ZINC000020257107 171111733 /nfs/dbraw/zinc/11/17/33/171111733.db2.gz VGCVNNFNXGWPHK-UHFFFAOYSA-N 2 0 257.447 1.239 10 0 CDAERP CC[NH+]1CCN([C@@H](C[NH3+])c2cccc(F)c2)CC1 ZINC000022220317 171377360 /nfs/dbraw/zinc/37/73/60/171377360.db2.gz ITEAKWZGNLYAPN-AWEZNQCLSA-N 2 0 251.349 1.463 10 0 CDAERP C[C@@H](C(=O)NCCC1(C[NH3+])CC1)[C@@H]([NH3+])c1ccccc1 ZINC000653215900 412141957 /nfs/dbraw/zinc/14/19/57/412141957.db2.gz HQBIJNXYTIKYLB-TZMCWYRMSA-N 2 0 275.396 1.568 10 0 CDAERP CCO[C@@H]1CN(C(=O)[C@@H]([NH3+])CC2CCCCC2)C[C@H]1C[NH3+] ZINC000653248406 412175499 /nfs/dbraw/zinc/17/54/99/412175499.db2.gz PYFUNYNNBHGRNL-QLFBSQMISA-N 2 0 297.443 1.106 10 0 CDAERP CCO[C@@H]1CN(C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])C[C@H]1C[NH3+] ZINC000653243975 412161244 /nfs/dbraw/zinc/16/12/44/412161244.db2.gz SXBZHQCFMWIKGY-APIJFGDWSA-N 2 0 297.443 1.106 10 0 CDAERP CCN(C(=O)N[C@H](C)C1=CC[NH+](C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000664624289 413550795 /nfs/dbraw/zinc/55/07/95/413550795.db2.gz APHILNJBVJBSBO-UKRRQHHQSA-N 2 0 294.443 1.372 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662827466 413557329 /nfs/dbraw/zinc/55/73/29/413557329.db2.gz JWDJHAGHNHLVLU-CYBMUJFWSA-N 2 0 269.433 1.469 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)C[NH2+]CC[C@@]1(C)CC1(F)F ZINC000656714988 413591577 /nfs/dbraw/zinc/59/15/77/413591577.db2.gz POIIXEBTRWFSFM-NEPJUHHUSA-N 2 0 264.360 1.713 10 0 CDAERP CC(C)=CCNC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000664737722 413627679 /nfs/dbraw/zinc/62/76/79/413627679.db2.gz SREAISUEJGYFHS-AWEZNQCLSA-N 2 0 284.448 1.524 10 0 CDAERP CN1c2ccccc2C[C@@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)C1=O ZINC000656786871 413664459 /nfs/dbraw/zinc/66/44/59/413664459.db2.gz CJHRCPPHYFAMJZ-MELADBBJSA-N 2 0 273.380 1.434 10 0 CDAERP C[NH+](C)Cc1ccsc1C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662945149 413724775 /nfs/dbraw/zinc/72/47/75/413724775.db2.gz HAWZVCANKICREH-GHMZBOCLSA-N 2 0 285.388 1.321 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000659479079 413869886 /nfs/dbraw/zinc/86/98/86/413869886.db2.gz GXBNNNVFUOSSGE-TZMCWYRMSA-N 2 0 282.432 1.309 10 0 CDAERP COC1CC(CC[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])C1 ZINC000665229785 413953361 /nfs/dbraw/zinc/95/33/61/413953361.db2.gz CMXKOYQPPPWZKV-FDZXDKCCSA-N 2 0 256.390 1.143 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659560469 413972043 /nfs/dbraw/zinc/97/20/43/413972043.db2.gz ZBNVZHVYAMKMDE-UHFFFAOYSA-N 2 0 282.432 1.097 10 0 CDAERP C[C@@H](CCC(F)(F)F)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665293299 414035387 /nfs/dbraw/zinc/03/53/87/414035387.db2.gz XNDDMZVOHCZBGW-ZETCQYMHSA-N 2 0 278.278 1.462 10 0 CDAERP CC[NH2+]Cc1ccccc1NC(=O)C[C@H]1CC[NH2+]C1 ZINC000127625831 414061102 /nfs/dbraw/zinc/06/11/02/414061102.db2.gz GTFFMPZICIDJSQ-GFCCVEGCSA-N 2 0 261.369 1.734 10 0 CDAERP C(NC1=[NH+]CCCN1)C1CC[NH+](CC2CC2)CC1 ZINC000663234311 414068696 /nfs/dbraw/zinc/06/86/96/414068696.db2.gz RLWORYPWGXVZHM-UHFFFAOYSA-N 2 0 250.390 1.047 10 0 CDAERP C[NH+](C)CCC1CC[NH+](C[C@@]2(O)CCCOC2)CC1 ZINC000659853653 414187673 /nfs/dbraw/zinc/18/76/73/414187673.db2.gz UZRVGTSBTMVRLY-HNNXBMFYSA-N 2 0 270.417 1.192 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)[C@@H](C)C1 ZINC000655806279 414199390 /nfs/dbraw/zinc/19/93/90/414199390.db2.gz UGQMSCSIOFTEDR-BYNSBNAKSA-N 3 0 253.434 1.647 10 0 CDAERP CC[C@@H](C)[C@@H](O)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657359303 414214092 /nfs/dbraw/zinc/21/40/92/414214092.db2.gz LLWGMMCVEFUJII-DOMZBBRYSA-N 2 0 274.368 1.764 10 0 CDAERP OCC1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000657384850 414264545 /nfs/dbraw/zinc/26/45/45/414264545.db2.gz RGHGEPKLFWWCPZ-UHFFFAOYSA-N 2 0 258.325 1.129 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCC[C@H]2C)CC1 ZINC000663506551 414308886 /nfs/dbraw/zinc/30/88/86/414308886.db2.gz UWAZHMFOXRNFTQ-HIFRSBDPSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@H]([NH2+]Cc1cnc2n1CCC2)[C@H](O)C(F)F ZINC000657477883 414377003 /nfs/dbraw/zinc/37/70/03/414377003.db2.gz CWWKFCKJIIAKRW-ONGXEEELSA-N 2 0 259.300 1.324 10 0 CDAERP CCN(C(=O)N[C@@H]1CC[NH+]2CCCC[C@@H]12)[C@@H]1CC[N@H+](C)C1 ZINC000663717705 414425037 /nfs/dbraw/zinc/42/50/37/414425037.db2.gz YGFQPNCLQNQGCN-KFWWJZLASA-N 2 0 294.443 1.349 10 0 CDAERP COCCCOC1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662255328 414589571 /nfs/dbraw/zinc/58/95/71/414589571.db2.gz CZVKSERQBCZOAI-OAHLLOKOSA-N 2 0 298.427 1.025 10 0 CDAERP CO[C@H](C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)C1CCC1 ZINC000662273782 414604227 /nfs/dbraw/zinc/60/42/27/414604227.db2.gz OYUMJNYBHNDVJA-OAGGEKHMSA-N 2 0 282.428 1.630 10 0 CDAERP COCC[NH2+]C1CC[NH+](C[C@@H](OC)C2CCCC2)CC1 ZINC000662283551 414614766 /nfs/dbraw/zinc/61/47/66/414614766.db2.gz AFRXHIMBHDQSAC-MRXNPFEDSA-N 2 0 284.444 1.892 10 0 CDAERP C[C@H](C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+])CS(C)(=O)=O ZINC000662313771 414633767 /nfs/dbraw/zinc/63/37/67/414633767.db2.gz MBIQGPCXQJXHGP-MGPQQGTHSA-N 2 0 290.473 1.507 10 0 CDAERP Cc1ccc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)c(C)c1 ZINC000038030978 174024032 /nfs/dbraw/zinc/02/40/32/174024032.db2.gz CYGFDBNJSWPFEB-UHFFFAOYSA-N 2 0 275.396 1.167 10 0 CDAERP CC[NH+]1CCC([C@@H](C)[NH2+]C[C@H]2COCCO2)CC1 ZINC000038060782 174071693 /nfs/dbraw/zinc/07/16/93/174071693.db2.gz LDNXRMPRKVXFHE-OCCSQVGLSA-N 2 0 256.390 1.112 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000038101761 174118075 /nfs/dbraw/zinc/11/80/75/174118075.db2.gz VKQDSUMGGNYTEF-UHFFFAOYSA-N 2 0 253.390 1.073 10 0 CDAERP [NH3+]CCC[NH2+]C[C@H](O)COc1cccc2ccccc21 ZINC000039234981 174166875 /nfs/dbraw/zinc/16/68/75/174166875.db2.gz FQBDICYEQIWWRN-AWEZNQCLSA-N 2 0 274.364 1.518 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000040503592 174300550 /nfs/dbraw/zinc/30/05/50/174300550.db2.gz AMDCGTQTJYLMHO-GJZGRUSLSA-N 2 0 275.396 1.157 10 0 CDAERP C[C@H](c1cccs1)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508140 174302665 /nfs/dbraw/zinc/30/26/65/174302665.db2.gz VFFZSYQBSCUFNB-CHWSQXEVSA-N 2 0 293.436 1.705 10 0 CDAERP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000040624399 174356641 /nfs/dbraw/zinc/35/66/41/174356641.db2.gz OBMCSDOBSBOCDT-RWMBFGLXSA-N 2 0 255.406 1.206 10 0 CDAERP [NH3+]C[C@@]1(N2CCC([NH+]3CCCCC3)CC2)CCSC1 ZINC000040693859 174377843 /nfs/dbraw/zinc/37/78/43/174377843.db2.gz DWQIZBBAUQDGTI-HNNXBMFYSA-N 2 0 283.485 1.771 10 0 CDAERP CCC[N@H+](CCCC(=O)OC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748577 174393601 /nfs/dbraw/zinc/39/36/01/174393601.db2.gz ASTTWBKGRFIKFV-PBWFPOADSA-N 2 0 268.401 1.935 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CC(=O)N1CCC[NH2+]CC1 ZINC000042354411 174693504 /nfs/dbraw/zinc/69/35/04/174693504.db2.gz APBUYKQZCCUDOY-STQMWFEESA-N 2 0 253.390 1.071 10 0 CDAERP CC[NH+]1CCC(N(C)c2nnc(C)c(C)c2C(N)=[NH2+])CC1 ZINC000042679982 174834479 /nfs/dbraw/zinc/83/44/79/174834479.db2.gz UMMNGXZLYRQBJD-UHFFFAOYSA-N 2 0 290.415 1.298 10 0 CDAERP COc1cccc([C@@H](CN[C@H]2CCC[NH2+]C2)[NH+](C)C)c1 ZINC000043323856 175006496 /nfs/dbraw/zinc/00/64/96/175006496.db2.gz PGZMIDAIIRLVEV-GOEBONIOSA-N 2 0 277.412 1.640 10 0 CDAERP C[C@H]([NH3+])[C@@H](c1ccccn1)N(C)C1CC[NH+](C)CC1 ZINC000043338854 175013233 /nfs/dbraw/zinc/01/32/33/175013233.db2.gz VMNKTVPGMLYCKC-WFASDCNBSA-N 2 0 262.401 1.496 10 0 CDAERP C[C@H]([NH3+])[C@@H](c1ccccn1)N1CCC([NH+](C)C)CC1 ZINC000043339421 175013638 /nfs/dbraw/zinc/01/36/38/175013638.db2.gz URMGBYWNIWNAHK-WFASDCNBSA-N 2 0 262.401 1.496 10 0 CDAERP CC[C@@H]1CC[C@@H]([NH2+]C)[C@H](N2CC[NH+](CC)CC2)C1 ZINC000043805762 175107538 /nfs/dbraw/zinc/10/75/38/175107538.db2.gz OQZXXNOZXCPJCB-RBSFLKMASA-N 2 0 253.434 1.791 10 0 CDAERP CC[NH2+][C@H]1c2ccccc2OC[C@@H]1N1CC[NH+](CC)CC1 ZINC000043806099 175108295 /nfs/dbraw/zinc/10/82/95/175108295.db2.gz CBWCKMCQLYUJNL-RDJZCZTQSA-N 2 0 289.423 1.736 10 0 CDAERP C[NH2+][C@H](CN1CC[NH+](CC2CC2)CC1)C(C)(C)C ZINC000043967838 175129052 /nfs/dbraw/zinc/12/90/52/175129052.db2.gz AMLZIAPDGBEJML-CQSZACIVSA-N 2 0 253.434 1.648 10 0 CDAERP C[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@H]1CCC[N@H+](C)C1 ZINC000044516257 175190372 /nfs/dbraw/zinc/19/03/72/175190372.db2.gz VEOXGYYODXWOFP-ZFWWWQNUSA-N 3 0 253.434 1.648 10 0 CDAERP CC[C@@H]1CCN([C@@H]2CC[N@@H+](C3CC3)C2)CCC[NH2+]1 ZINC000044678640 175228051 /nfs/dbraw/zinc/22/80/51/175228051.db2.gz REMLVCIHHOZFOF-UKRRQHHQSA-N 2 0 251.418 1.687 10 0 CDAERP CCC[NH+]1CCN(C(=O)[C@H](C[NH3+])Cc2ccccc2)CC1 ZINC000044793532 175254339 /nfs/dbraw/zinc/25/43/39/175254339.db2.gz RVAUAVFPGFCTTA-INIZCTEOSA-N 2 0 289.423 1.358 10 0 CDAERP CCC[C@@H](C[NH3+])C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000044798753 175255294 /nfs/dbraw/zinc/25/52/94/175255294.db2.gz AGEVQCSYRSDNGM-KBPBESRZSA-N 2 0 269.433 1.742 10 0 CDAERP O[C@H](C[NH2+]C1CC1)C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045072155 175301783 /nfs/dbraw/zinc/30/17/83/175301783.db2.gz GTNYEOVONQSBQU-HUUCEWRRSA-N 2 0 252.402 1.754 10 0 CDAERP CC[NH+](CC)C[C@@H](O)CNC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000045134845 175312655 /nfs/dbraw/zinc/31/26/55/175312655.db2.gz LGJCXFQOFPWMPS-CABCVRRESA-N 2 0 271.449 1.009 10 0 CDAERP C[C@](CCCC[NH+]1CCCCC1)([NH2+]C1CC1)C(N)=O ZINC000045378292 175367700 /nfs/dbraw/zinc/36/77/00/175367700.db2.gz QXKJXIDWHBFMEP-OAHLLOKOSA-N 2 0 267.417 1.639 10 0 CDAERP COC(=O)[C@@](C)([NH3+])CCCC[N@H+](C)[C@@H](C)C1CC1 ZINC000045392819 175375883 /nfs/dbraw/zinc/37/58/83/175375883.db2.gz FMXFLJWKQOQYLQ-FZMZJTMJSA-N 2 0 256.390 1.777 10 0 CDAERP CC[NH2+][C@@](C)(CCCCN1CC[NH+](C(C)C)CC1)C(N)=O ZINC000045393827 175376341 /nfs/dbraw/zinc/37/63/41/175376341.db2.gz YEGKPIDTTJMYDI-INIZCTEOSA-N 2 0 298.475 1.036 10 0 CDAERP CCC[C@H]1C[C@@](C[NH3+])(N2CCC[N@H+](C)CC2)CCO1 ZINC000070362964 175890755 /nfs/dbraw/zinc/89/07/55/175890755.db2.gz ARAWYHQBWOYWRZ-GJZGRUSLSA-N 2 0 269.433 1.301 10 0 CDAERP C[C@@H](C[C@](C)(O)C[NH3+])[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000070521561 175966832 /nfs/dbraw/zinc/96/68/32/175966832.db2.gz QXZSCCOXCPBCLE-HOCLYGCPSA-N 3 0 283.460 1.283 10 0 CDAERP CC(C)[NH2+][C@H]1CCN([C@@H](C[NH+](C)C)C(C)C)C1=O ZINC000071034244 176024037 /nfs/dbraw/zinc/02/40/37/176024037.db2.gz RTWOQCAJSOBBJK-STQMWFEESA-N 2 0 255.406 1.172 10 0 CDAERP C[C@H](C[NH+]1CCCC1)N1CCC[C@H]([NH2+]C2CC2)C1=O ZINC000071033599 176024375 /nfs/dbraw/zinc/02/43/75/176024375.db2.gz ORLMNXGKLBABOV-OCCSQVGLSA-N 2 0 265.401 1.214 10 0 CDAERP C[NH2+][C@@H]1CCCN(C[C@@H](C)[NH+]2CCCCC2)C1=O ZINC000071036375 176025595 /nfs/dbraw/zinc/02/55/95/176025595.db2.gz RWMOIBMWSBUVKC-CHWSQXEVSA-N 2 0 253.390 1.071 10 0 CDAERP C[C@@H]1CCC[C@H]([NH+]2CCN(C(C)(C)C[NH3+])CC2)C1 ZINC000071147701 176044213 /nfs/dbraw/zinc/04/42/13/176044213.db2.gz GHQGXFUNYYBJBD-KGLIPLIRSA-N 2 0 253.434 1.920 10 0 CDAERP C[C@@H]1CCC[C@H](C)C1[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071148768 176044456 /nfs/dbraw/zinc/04/44/56/176044456.db2.gz CUOGGHFJYRQWAB-YIONKMFJSA-N 2 0 253.434 1.648 10 0 CDAERP Cc1cc(N)ccc1NC(=O)CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071187662 176060958 /nfs/dbraw/zinc/06/09/58/176060958.db2.gz UBGJGOXLTDNUQE-CYBMUJFWSA-N 2 0 290.411 1.399 10 0 CDAERP C[N@H+](CCC(=O)Nc1cccc(N)c1)C[C@H]1CC[NH+](C)C1 ZINC000071187742 176061783 /nfs/dbraw/zinc/06/17/83/176061783.db2.gz SPZZNNUGFDQMJR-ZDUSSCGKSA-N 2 0 290.411 1.481 10 0 CDAERP C[NH2+][C@H](CN(C)C[C@@H]1CC[N@H+](C)C1)c1ccc(OC)cc1 ZINC000071188843 176063809 /nfs/dbraw/zinc/06/38/09/176063809.db2.gz GDCYTUKBTQQISF-RHSMWYFYSA-N 2 0 291.439 1.839 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)CCC1CC[NH2+]CC1 ZINC000071189786 176065478 /nfs/dbraw/zinc/06/54/78/176065478.db2.gz DQIGPNRIHMAQJT-CQSZACIVSA-N 2 0 267.417 1.176 10 0 CDAERP CCC[NH2+]C[C@@]1(CN(C)C[C@@H]2CC[N@H+](C)C2)CCOC1 ZINC000071191467 176069388 /nfs/dbraw/zinc/06/93/88/176069388.db2.gz XBIYXONIUIASDO-HZPDHXFCSA-N 2 0 283.460 1.276 10 0 CDAERP CCC(CC)(C[NH2+]C)CN(C)C[C@H]1CC[N@H+](C)C1 ZINC000071191519 176070376 /nfs/dbraw/zinc/07/03/76/176070376.db2.gz TVBPEFSDOPJJQR-AWEZNQCLSA-N 2 0 255.450 1.896 10 0 CDAERP CC[NH2+]Cc1ccoc1CN(C)C[C@H]1CC[N@H+](C)C1 ZINC000071191883 176072013 /nfs/dbraw/zinc/07/20/13/176072013.db2.gz OHHKKPLRUXCBCN-ZDUSSCGKSA-N 2 0 265.401 1.773 10 0 CDAERP C[NH2+]CC1(CN2CC[NH+](CC(C)(C)O)CC2)CCCCC1 ZINC000071381781 176145389 /nfs/dbraw/zinc/14/53/89/176145389.db2.gz VEMPZBXKQCYFGR-UHFFFAOYSA-N 2 0 297.487 1.545 10 0 CDAERP C[C@@H](C(=O)N[C@@H]1CCC[NH2+]C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000071396945 176150414 /nfs/dbraw/zinc/15/04/14/176150414.db2.gz NXHYIYBEHNVAFO-QNWHQSFQSA-N 2 0 253.390 1.116 10 0 CDAERP [NH3+][C@@H](CCC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000071400770 176153239 /nfs/dbraw/zinc/15/32/39/176153239.db2.gz QKNIWPAFDNNBDH-CVEARBPZSA-N 2 0 287.407 1.773 10 0 CDAERP [NH3+][C@@H]1CC[C@@H](N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000071585797 176211875 /nfs/dbraw/zinc/21/18/75/176211875.db2.gz WCYJLBNPXNCUSG-HZPDHXFCSA-N 2 0 259.397 1.684 10 0 CDAERP C[C@@H](O)C[NH+]1CCC(C[NH2+]CCOCC(F)(F)F)CC1 ZINC000071871113 176284039 /nfs/dbraw/zinc/28/40/39/176284039.db2.gz LHJCHOWFRXLFKQ-LLVKDONJSA-N 2 0 298.349 1.248 10 0 CDAERP O[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@]12CCC[NH2+]C2 ZINC000076698172 177060953 /nfs/dbraw/zinc/06/09/53/177060953.db2.gz OLFHZGYRJNXHDJ-HZPDHXFCSA-N 2 0 260.381 1.623 10 0 CDAERP C[C@H](CC[NH3+])CCC(=O)NCCC[NH+]1CCCCC1 ZINC000079079725 177429664 /nfs/dbraw/zinc/42/96/64/177429664.db2.gz SLYZSHVWHSVJLN-AWEZNQCLSA-N 2 0 269.433 1.744 10 0 CDAERP C[C@@H]1CCCN1C(=O)CC[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261916782 287363163 /nfs/dbraw/zinc/36/31/63/287363163.db2.gz YEFYZINUUXCLLH-OLZOCXBDSA-N 2 0 267.417 1.447 10 0 CDAERP CCCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001666172726 1173114336 /nfs/dbraw/zinc/11/43/36/1173114336.db2.gz MBIOVODQAOQKPU-JKSUJKDBSA-N 2 0 295.471 1.957 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C(N)=O)C2)[C@H]2CCC[C@@H]21 ZINC000517294894 260143766 /nfs/dbraw/zinc/14/37/66/260143766.db2.gz AETBXNUXNKTBIZ-ZSLBOAEBSA-N 2 0 265.401 1.103 10 0 CDAERP [NH3+]CCC1CCN(C(=O)[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000653256637 423806032 /nfs/dbraw/zinc/80/60/32/423806032.db2.gz QAJJCZPPAGTOGW-OAHLLOKOSA-N 2 0 293.386 1.455 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000659524373 423901415 /nfs/dbraw/zinc/90/14/15/423901415.db2.gz SVHSGOSYMUNTRG-JHJVBQTASA-N 2 0 270.421 1.177 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000659542733 424005729 /nfs/dbraw/zinc/00/57/29/424005729.db2.gz MQIMUFOAVCDAPP-CHWSQXEVSA-N 2 0 270.421 1.177 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000652224519 424083578 /nfs/dbraw/zinc/08/35/78/424083578.db2.gz AMQWNIGATQMDRK-ZIAGYGMSSA-N 2 0 284.448 1.343 10 0 CDAERP C[NH+](C)CCCC(C)(C)NC(=O)NCCC1(C[NH3+])CC1 ZINC000652232895 424107914 /nfs/dbraw/zinc/10/79/14/424107914.db2.gz GRMNFUCNNXLIDJ-UHFFFAOYSA-N 2 0 284.448 1.535 10 0 CDAERP CC[NH+](CC)CCCCNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653110317 424278142 /nfs/dbraw/zinc/27/81/42/424278142.db2.gz CQDQHMKKSLSNKR-HUUCEWRRSA-N 2 0 281.444 1.755 10 0 CDAERP Cn1nccc1[C@H]1COCCN1CC[C@H]1CCC[NH2+]C1 ZINC000652364171 424318662 /nfs/dbraw/zinc/31/86/62/424318662.db2.gz ZZHCIRYQJFEVDA-UKRRQHHQSA-N 2 0 278.400 1.183 10 0 CDAERP CN(CC1C[NH+](C)C1)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000661407615 424324342 /nfs/dbraw/zinc/32/43/42/424324342.db2.gz NRNSFAWEFNGNNA-ZDUSSCGKSA-N 2 0 282.432 1.062 10 0 CDAERP C[C@@H]1CC[C@@H]([NH2+]CCCC[NH+]2CCN(C)CC2)CS1 ZINC000655688875 424393199 /nfs/dbraw/zinc/39/31/99/424393199.db2.gz OMCJJZKTECEJPI-HUUCEWRRSA-N 2 0 285.501 1.888 10 0 CDAERP C[N@@H+]1CC[C@H](NCC2([NH3+])CCCC2)[C@@H]2CCC[C@@H]21 ZINC000665247255 424472535 /nfs/dbraw/zinc/47/25/35/424472535.db2.gz YPJFTPYOAOUOML-IHRRRGAJSA-N 2 0 251.418 1.720 10 0 CDAERP CC(C)[C@H](C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)[C@H](C)[NH3+] ZINC000662973784 424579816 /nfs/dbraw/zinc/57/98/16/424579816.db2.gz WANNUEUQVNAFNQ-KKUMJFAQSA-N 2 0 299.459 1.175 10 0 CDAERP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]CCCF ZINC001667197047 1173242982 /nfs/dbraw/zinc/24/29/82/1173242982.db2.gz GFWIJPPGENJUSX-QWHCGFSZSA-N 2 0 273.396 1.124 10 0 CDAERP C[C@@H](O)C[NH2+]CC[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001667279501 1173251815 /nfs/dbraw/zinc/25/18/15/1173251815.db2.gz UQWMZKAIRYQKDS-CABCVRRESA-N 2 0 299.459 1.070 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+]Cc1nn(C)cc1Br ZINC000393337608 270336746 /nfs/dbraw/zinc/33/67/46/270336746.db2.gz LRHVTKDPDKTJAV-VIFPVBQESA-N 2 0 289.221 1.790 10 0 CDAERP C(C1CC1)[NH+]1CCC(N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000530179809 271133551 /nfs/dbraw/zinc/13/35/51/271133551.db2.gz YBRIDZXJTVNLHK-HNNXBMFYSA-N 2 0 263.429 1.735 10 0 CDAERP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1c2ccccc2C(=O)N1C ZINC000530222127 271163468 /nfs/dbraw/zinc/16/34/68/271163468.db2.gz FVVXMZPHYJUGLL-UHOFOFEASA-N 2 0 287.407 1.791 10 0 CDAERP CC1(C)CC(C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)C1 ZINC000530227734 271171804 /nfs/dbraw/zinc/17/18/04/271171804.db2.gz ZPLDDRZSCOOUGP-AWEZNQCLSA-N 2 0 277.416 1.810 10 0 CDAERP C[C@@H](CC[NH+](C)C)NC(=O)c1c[nH+]ccc1N(C)C ZINC000273588595 274208601 /nfs/dbraw/zinc/20/86/01/274208601.db2.gz ISWWPUUBLYENHN-NSHDSACASA-N 2 0 264.373 1.218 10 0 CDAERP O=C([C@H]1C[NH2+]Cc2ccccc21)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000335464806 275009345 /nfs/dbraw/zinc/00/93/45/275009345.db2.gz MRSPGJLIVIPYJZ-HOCLYGCPSA-N 2 0 285.391 1.226 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000300689994 277081265 /nfs/dbraw/zinc/08/12/65/277081265.db2.gz JVJAFXMUBVGHBC-ZFWWWQNUSA-N 2 0 273.380 1.084 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCC2(O)CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000367698827 277170596 /nfs/dbraw/zinc/17/05/96/277170596.db2.gz QPNHJBOJWHOOOY-KKUMJFAQSA-N 2 0 282.428 1.380 10 0 CDAERP COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000451590018 277345845 /nfs/dbraw/zinc/34/58/45/277345845.db2.gz JTXTUTPCJPIQBC-MCIONIFRSA-N 2 0 268.401 1.792 10 0 CDAERP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)[C@H]1C[C@H]1C ZINC000414080344 278266777 /nfs/dbraw/zinc/26/67/77/278266777.db2.gz UMYNKDBZNSRBBZ-YCPHGPKFSA-N 2 0 288.439 1.968 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000055090779 278804792 /nfs/dbraw/zinc/80/47/92/278804792.db2.gz FZDRVFKDJNFPKY-QWHCGFSZSA-N 2 0 267.417 1.495 10 0 CDAERP CC(C)C[C@H]([NH3+])C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371238923 279175604 /nfs/dbraw/zinc/17/56/04/279175604.db2.gz YESMUZQAAKVMJK-IHRRRGAJSA-N 2 0 267.417 1.350 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000108557011 279308286 /nfs/dbraw/zinc/30/82/86/279308286.db2.gz IRQZWAGUTPEDHB-GJZGRUSLSA-N 2 0 298.475 1.604 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000175381423 279310242 /nfs/dbraw/zinc/31/02/42/279310242.db2.gz HMQICYHVIKUMBQ-CABCVRRESA-N 2 0 294.443 1.350 10 0 CDAERP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CCC(=O)NC2(C)C)cc1 ZINC000423293411 279423017 /nfs/dbraw/zinc/42/30/17/279423017.db2.gz RHJQEXRNLQCTJI-FZMZJTMJSA-N 2 0 275.396 1.853 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC000245471887 280212304 /nfs/dbraw/zinc/21/23/04/280212304.db2.gz YGBANWDMCRCXHK-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP CCCCOC[C@H](O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000248660282 280372023 /nfs/dbraw/zinc/37/20/23/280372023.db2.gz VUHRUMVVKLTGPX-LSDHHAIUSA-N 2 0 272.433 1.438 10 0 CDAERP C[NH+](C)CC1(C(=O)NC2CC[NH+](C)CC2)CCCCC1 ZINC000358725653 282062663 /nfs/dbraw/zinc/06/26/63/282062663.db2.gz RMIUNAXSVQDOHC-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@@H](C)C[NH2+]CCN(CC)C(=O)C12CC[NH+](CC1)C2 ZINC001668619084 1173432682 /nfs/dbraw/zinc/43/26/82/1173432682.db2.gz FOZOOPVCVLDTCN-CQSZACIVSA-N 2 0 281.444 1.566 10 0 CDAERP C[NH+](C)CC1CCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000055088881 289105999 /nfs/dbraw/zinc/10/59/99/289105999.db2.gz GYQPCXGDOGNBPA-UONOGXRCSA-N 2 0 267.417 1.304 10 0 CDAERP C[NH+](C)CC[C@@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)C(C)(C)C ZINC000116567270 289178166 /nfs/dbraw/zinc/17/81/66/289178166.db2.gz NMEWJMVRVICOLO-UONOGXRCSA-N 2 0 298.475 1.698 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCN2CCO)[C@H]2CCC[C@H]21 ZINC000453259292 290219660 /nfs/dbraw/zinc/21/96/60/290219660.db2.gz ICZSFRIUCCDSHR-VVLHAWIVSA-N 2 0 295.471 1.296 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)C(F)(F)F)[C@@H]2CCC[C@H]21 ZINC000353395072 290219736 /nfs/dbraw/zinc/21/97/36/290219736.db2.gz OAEQJFBWTREDNH-MMWGEVLESA-N 2 0 266.307 1.372 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CC(C)(C)c1ccccn1 ZINC000423142571 292804342 /nfs/dbraw/zinc/80/43/42/292804342.db2.gz APHSRLRTSNBRAN-CYBMUJFWSA-N 2 0 265.401 1.703 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000562745517 293189953 /nfs/dbraw/zinc/18/99/53/293189953.db2.gz OZUJSEVXPDWBRC-CJNGLKHVSA-N 2 0 270.380 1.960 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000565894402 293706308 /nfs/dbraw/zinc/70/63/08/293706308.db2.gz MOPXKWQOKBAJAZ-NJZAAPMLSA-N 2 0 273.380 1.069 10 0 CDAERP [NH3+]C[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000568608516 294066250 /nfs/dbraw/zinc/06/62/50/294066250.db2.gz CEGWEOFGELZFDE-XUXIUFHCSA-N 2 0 265.401 1.104 10 0 CDAERP C[C@H]1CCN(C(=O)CN2CC(C)(C)C2)C[C@H]1n1ccnc1 ZINC000570861005 294324168 /nfs/dbraw/zinc/32/41/68/294324168.db2.gz KHHRGHROZHWVQK-UONOGXRCSA-N 2 0 290.411 1.634 10 0 CDAERP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000573935741 294916686 /nfs/dbraw/zinc/91/66/86/294916686.db2.gz OIZKUWLVWNCXHE-SOUVJXGZSA-N 2 0 296.459 1.404 10 0 CDAERP [NH3+]C1(CNC(=O)N2CCC3(CC[NH2+]3)CC2)CCCCC1 ZINC000333233261 295205920 /nfs/dbraw/zinc/20/59/20/295205920.db2.gz CKWBRCBDLDHEEC-UHFFFAOYSA-N 2 0 280.416 1.186 10 0 CDAERP CCC[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001669001018 1173491425 /nfs/dbraw/zinc/49/14/25/1173491425.db2.gz JJTDRDFTPHHALP-LAWSMPECSA-N 2 0 267.417 1.389 10 0 CDAERP C[C@H]([NH3+])c1ccc(C(=O)N2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000423747571 299001893 /nfs/dbraw/zinc/00/18/93/299001893.db2.gz SPGDKHNOOPVDDA-SWLSCSKDSA-N 2 0 275.396 1.873 10 0 CDAERP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)NCC1([NH3+])CCC1 ZINC000335484410 303430883 /nfs/dbraw/zinc/43/08/83/303430883.db2.gz BHUJGAVBIRIILB-AWEZNQCLSA-N 2 0 288.395 1.136 10 0 CDAERP [NH3+][C@@H](CC1CCCCC1)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000335052287 303448264 /nfs/dbraw/zinc/44/82/64/303448264.db2.gz NBNXUIRUVPZURK-DOTOQJQBSA-N 2 0 293.455 1.886 10 0 CDAERP [NH3+][C@@H]1CCC[C@H](C(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000334492180 303462539 /nfs/dbraw/zinc/46/25/39/303462539.db2.gz HHSPYTDIQQFWJA-UONOGXRCSA-N 2 0 279.428 1.496 10 0 CDAERP [NH3+][C@H]1CC[C@@H](C(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000237930810 303489177 /nfs/dbraw/zinc/48/91/77/303489177.db2.gz UQNKOTBWAWKXDK-CABCVRRESA-N 2 0 281.444 1.886 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001671674848 1173701263 /nfs/dbraw/zinc/70/12/63/1173701263.db2.gz PXJHAVXJOBJABT-DZGCQCFKSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@@H](NCC1([NH+](C)C)CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000575914197 317037116 /nfs/dbraw/zinc/03/71/16/317037116.db2.gz QJXPDVCVYDSCEF-ZIAGYGMSSA-N 2 0 253.434 1.839 10 0 CDAERP CCC(CC)(C[NH3+])C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000576876973 317223604 /nfs/dbraw/zinc/22/36/04/317223604.db2.gz VYAQHRDPHBEKML-AWEZNQCLSA-N 2 0 267.417 1.354 10 0 CDAERP OC[C@@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)c1cccnc1 ZINC000577731316 317391289 /nfs/dbraw/zinc/39/12/89/317391289.db2.gz PVZYAUZXMHWFLQ-MRXNPFEDSA-N 2 0 289.423 1.622 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000578235540 317498615 /nfs/dbraw/zinc/49/86/15/317498615.db2.gz KBGXDGQKTWGAKD-OKZRHMCRSA-N 2 0 253.390 1.103 10 0 CDAERP COCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001672901935 1173809135 /nfs/dbraw/zinc/80/91/35/1173809135.db2.gz NQGWITMETJUUEC-HUUCEWRRSA-N 2 0 299.459 1.047 10 0 CDAERP COC[C@@H](O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185693901 323394243 /nfs/dbraw/zinc/39/42/43/323394243.db2.gz RSEFRBSPMZOYDJ-GUTXKFCHSA-N 2 0 270.417 1.236 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000193170845 323527195 /nfs/dbraw/zinc/52/71/95/323527195.db2.gz JMYSRLDKSJCALS-LLVKDONJSA-N 2 0 253.390 1.104 10 0 CDAERP CCOCCCNC(=O)[C@@H](C)N1CC2CCC1(C[NH3+])CC2 ZINC000580094943 324371239 /nfs/dbraw/zinc/37/12/39/324371239.db2.gz CEMSUTJUCQSIPT-VQCLRJIVSA-N 2 0 297.443 1.121 10 0 CDAERP C[C@@]1(CNC2CC[NH+](C[C@H]3CCOC3)CC2)CC[NH2+]C1 ZINC000581489301 324761376 /nfs/dbraw/zinc/76/13/76/324761376.db2.gz UINRZEDFJODPOH-GDBMZVCRSA-N 2 0 281.444 1.077 10 0 CDAERP CC(C)[NH2+][C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001673928794 1173899345 /nfs/dbraw/zinc/89/93/45/1173899345.db2.gz MTUIKYJWEIGNMV-STQMWFEESA-N 2 0 255.406 1.172 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000583811409 325244886 /nfs/dbraw/zinc/24/48/86/325244886.db2.gz ZMKAJHKSQWOFHZ-KFWWJZLASA-N 2 0 281.444 1.885 10 0 CDAERP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000583879864 325259856 /nfs/dbraw/zinc/25/98/56/325259856.db2.gz FHQOJVZYVYAKCV-ILXRZTDVSA-N 2 0 270.417 1.048 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001267220739 1159186586 /nfs/dbraw/zinc/18/65/86/1159186586.db2.gz FFCXIHLKDUWQJS-KBPBESRZSA-N 2 0 267.417 1.460 10 0 CDAERP CCN(CC[NH2+]CC[C@H](C)F)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001699172645 1176124771 /nfs/dbraw/zinc/12/47/71/1176124771.db2.gz KVQRFINEULORFO-STQMWFEESA-N 2 0 273.396 1.267 10 0 CDAERP CCN(C(=O)CC[NH2+]C(C)(C)C)[C@@H]1CC[N@H+](CC)C1 ZINC000695302142 1159564326 /nfs/dbraw/zinc/56/43/26/1159564326.db2.gz UZCSNEPZHSJSBM-CYBMUJFWSA-N 2 0 269.433 1.707 10 0 CDAERP CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001481972331 1159959100 /nfs/dbraw/zinc/95/91/00/1159959100.db2.gz LUIAZMXXRZEPEH-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(F)s1 ZINC000668302999 482363920 /nfs/dbraw/zinc/36/39/20/482363920.db2.gz WKKXONSYZLGQBB-UHFFFAOYSA-N 2 0 287.404 1.453 10 0 CDAERP C[C@H](CO)C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000678044712 482395682 /nfs/dbraw/zinc/39/56/82/482395682.db2.gz FALJUAUTCCJZIV-ARFHVFGLSA-N 2 0 283.460 1.105 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)c2ncnn21 ZINC000668469335 482448638 /nfs/dbraw/zinc/44/86/38/482448638.db2.gz UTQSUGTULBBVAE-DOMZBBRYSA-N 2 0 298.394 1.938 10 0 CDAERP CCNC(=O)C[N@H+](CC)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652337159 482462790 /nfs/dbraw/zinc/46/27/90/482462790.db2.gz OGLSVGONXZOXEJ-UHFFFAOYSA-N 2 0 275.396 1.290 10 0 CDAERP C[NH+]1CCC(CCNC(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000157931676 482511603 /nfs/dbraw/zinc/51/16/03/482511603.db2.gz FWZYKLBYGYFICI-KGLIPLIRSA-N 2 0 267.417 1.210 10 0 CDAERP c1cc2c(ncnc2N[C@@H]2CCc3cncn3C2)[nH]1 ZINC000672324832 482543561 /nfs/dbraw/zinc/54/35/61/482543561.db2.gz LTSQJKKWIZFRII-SECBINFHSA-N 2 0 254.297 1.581 10 0 CDAERP C[NH2+]CCN(C)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000417200691 482573865 /nfs/dbraw/zinc/57/38/65/482573865.db2.gz USOYZGHZSOWWCQ-HNNXBMFYSA-N 2 0 292.427 1.020 10 0 CDAERP C[C@@H]([NH2+]C1CCN(C(=O)C(C)(C)C)CC1)[C@H]1CC[NH2+]C1 ZINC000400721491 482598482 /nfs/dbraw/zinc/59/84/82/482598482.db2.gz OPZMGZLBVWLSKT-OLZOCXBDSA-N 2 0 281.444 1.611 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC[NH+](C)C2)C[C@@H]1C ZINC000674028826 482624885 /nfs/dbraw/zinc/62/48/85/482624885.db2.gz LPUNWSVJGWMGAR-ZNMIVQPWSA-N 2 0 296.459 1.595 10 0 CDAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)CC(C)(C)[NH3+] ZINC000237025870 482635133 /nfs/dbraw/zinc/63/51/33/482635133.db2.gz JMUJKBNPSILMEK-AWEZNQCLSA-N 2 0 277.412 1.403 10 0 CDAERP Cc1ccccc1[C@H]([NH3+])C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334621788 482749172 /nfs/dbraw/zinc/74/91/72/482749172.db2.gz IFAFILJOAHLMNF-RDJZCZTQSA-N 2 0 287.407 1.597 10 0 CDAERP CO[C@@H]1CCC[C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)C1 ZINC000684390823 482788150 /nfs/dbraw/zinc/78/81/50/482788150.db2.gz NFWDXPPHZBWKGM-GOEBONIOSA-N 2 0 283.460 1.560 10 0 CDAERP c1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)n(-c2cc[nH+]cc2)n1 ZINC000657499674 482872674 /nfs/dbraw/zinc/87/26/74/482872674.db2.gz BGQQRVHNPLNJOB-KFWWJZLASA-N 2 0 270.336 1.677 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)NCC2([NH3+])CCCCC2)C1 ZINC000669403226 482886415 /nfs/dbraw/zinc/88/64/15/482886415.db2.gz OZJXOVPANJCZAH-GFCCVEGCSA-N 2 0 268.405 1.041 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000136425032 482917635 /nfs/dbraw/zinc/91/76/35/482917635.db2.gz VMBBTPSPDXUCAO-GJZGRUSLSA-N 2 0 277.412 1.779 10 0 CDAERP C([NH2+][C@H]1CO[C@H](C2CC2)C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000667781604 482925772 /nfs/dbraw/zinc/92/57/72/482925772.db2.gz OCPLDMIOTYPSQS-LNSITVRQSA-N 2 0 250.386 1.628 10 0 CDAERP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[NH+](C)C ZINC000674284329 482983895 /nfs/dbraw/zinc/98/38/95/482983895.db2.gz QHHOFNRUTPRCRI-AWEZNQCLSA-N 2 0 289.423 1.849 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000089457915 483080824 /nfs/dbraw/zinc/08/08/24/483080824.db2.gz GQNCDZDLXJHPPC-HZPDHXFCSA-N 2 0 293.455 1.696 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089457923 483080849 /nfs/dbraw/zinc/08/08/49/483080849.db2.gz HZBOMLMQIOSSFC-CVEARBPZSA-N 2 0 295.471 1.942 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)NC/C=C/C[NH3+])CC1 ZINC000669433427 483093346 /nfs/dbraw/zinc/09/33/46/483093346.db2.gz OOSPDESCPIIXMT-SNAWJCMRSA-N 2 0 268.405 1.065 10 0 CDAERP CN(CCC[NH+](C)C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000668156477 483096287 /nfs/dbraw/zinc/09/62/87/483096287.db2.gz RFTQMKDUYAVUFF-UHFFFAOYSA-N 2 0 273.384 1.651 10 0 CDAERP [NH3+]C1(CNC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CCC1 ZINC000667148706 483110486 /nfs/dbraw/zinc/11/04/86/483110486.db2.gz PVCOILIRIZCZLZ-UHFFFAOYSA-N 2 0 286.339 1.270 10 0 CDAERP CN(C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)C1CC([NH3+])C1 ZINC000667148685 483110540 /nfs/dbraw/zinc/11/05/40/483110540.db2.gz NMBHGIMIOIXBHV-UHFFFAOYSA-N 2 0 286.339 1.221 10 0 CDAERP C[C@H](CNc1nccnc1NC[C@H](C)[NH+](C)C)[NH+](C)C ZINC000682393090 483212187 /nfs/dbraw/zinc/21/21/87/483212187.db2.gz FMGKNKBFBSBJNY-TXEJJXNPSA-N 2 0 280.420 1.201 10 0 CDAERP NC(=O)C[C@H]1CCCC[N@@H+]1Cc1cnc2n1CCC2 ZINC000667561328 483331470 /nfs/dbraw/zinc/33/14/70/483331470.db2.gz SMMPWQJQSMKSLH-LLVKDONJSA-N 2 0 262.357 1.059 10 0 CDAERP C[C@@H](CO)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000679537143 483380907 /nfs/dbraw/zinc/38/09/07/483380907.db2.gz CTZRKBLYLXCLDN-OAHLLOKOSA-N 2 0 284.444 1.439 10 0 CDAERP C[C@H](C[NH2+][C@H]1CO[C@H](C2CC2)C1)CN1CC[NH+](C)CC1 ZINC000667851571 483459562 /nfs/dbraw/zinc/45/95/62/483459562.db2.gz SDAHUTRMZQIJMI-BMFZPTHFSA-N 2 0 281.444 1.027 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+][C@@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667929131 483482859 /nfs/dbraw/zinc/48/28/59/483482859.db2.gz SMHCJTCJDQHEJU-JKSUJKDBSA-N 2 0 281.444 1.171 10 0 CDAERP CC[NH2+]CCN(CC)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001482923794 1160646074 /nfs/dbraw/zinc/64/60/74/1160646074.db2.gz FXZRSOKKZIKVAE-UHFFFAOYSA-N 2 0 269.433 1.709 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cnc(C)o1 ZINC001409459824 1160830776 /nfs/dbraw/zinc/83/07/76/1160830776.db2.gz YPADLAKOSUBYAE-NEPJUHHUSA-N 2 0 296.415 1.308 10 0 CDAERP CC(C)[NH2+][C@@](C)(C[C@@H](C)N1CCC[C@@H]1C[NH+](C)C)C(N)=O ZINC000068642845 519736782 /nfs/dbraw/zinc/73/67/82/519736782.db2.gz VZBXDUKDVCOEBA-FMKPAKJESA-N 2 0 298.475 1.033 10 0 CDAERP CC(C)C[NH2+]C[C@H](C)CN1CCC([NH+](C)C)CC1 ZINC000052477596 519745524 /nfs/dbraw/zinc/74/55/24/519745524.db2.gz RZPCXIUZYRUVLI-AWEZNQCLSA-N 2 0 255.450 1.894 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000049220789 519814099 /nfs/dbraw/zinc/81/40/99/519814099.db2.gz AIQGKBNIPXNMHG-AJNGGQMLSA-N 2 0 281.444 1.610 10 0 CDAERP CCC[NH2+]CC1(C[N@H+](C)C[C@@H]2CCCO2)CCOCC1 ZINC000052182973 519909244 /nfs/dbraw/zinc/90/92/44/519909244.db2.gz VJVWBLPJBTXPOL-HNNXBMFYSA-N 2 0 284.444 1.894 10 0 CDAERP CC[NH2+]Cc1occc1C[NH+]1CCC(OC)CC1 ZINC000052455241 520031507 /nfs/dbraw/zinc/03/15/07/520031507.db2.gz KXRVCIUMDRPXBW-UHFFFAOYSA-N 2 0 252.358 2.000 10 0 CDAERP CCC[NH2+][C@](C)(C[C@@H](C)N1CC[NH+](C(C)C)CC1)C(N)=O ZINC000068625780 520111468 /nfs/dbraw/zinc/11/14/68/520111468.db2.gz VKIRVZPOGZUTCJ-GDBMZVCRSA-N 2 0 298.475 1.035 10 0 CDAERP CC[NH2+][C@](C)(CCCC[NH+]1CCC(COC)CC1)C(N)=O ZINC000069507417 520227810 /nfs/dbraw/zinc/22/78/10/520227810.db2.gz BBAXYSZHPSHGFE-MRXNPFEDSA-N 2 0 299.459 1.369 10 0 CDAERP CCO[C@@H](C[NH3+])CC[N@H+](C)CCc1ccncc1 ZINC000062740967 520306612 /nfs/dbraw/zinc/30/66/12/520306612.db2.gz RFRVMEXXCCLPAY-CQSZACIVSA-N 2 0 251.374 1.310 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC1(C)CC[NH+](CCF)CC1 ZINC001483976409 1161243433 /nfs/dbraw/zinc/24/34/33/1161243433.db2.gz KBMXNHPVZNAZPH-ZIAGYGMSSA-N 2 0 299.434 1.799 10 0 CDAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+](C)CCCF ZINC001485349574 1161276206 /nfs/dbraw/zinc/27/62/06/1161276206.db2.gz HYURTDNYDURXRF-CHWSQXEVSA-N 2 0 273.396 1.124 10 0 CDAERP CC(C)N(CC[N@H+](C)C(C)C)C(=O)C[NH+]1CCCC1 ZINC001486379440 1161453520 /nfs/dbraw/zinc/45/35/20/1161453520.db2.gz JOWSLAFHEFOWBP-UHFFFAOYSA-N 2 0 269.433 1.659 10 0 CDAERP CC[C@@H](C)[N@H+](CCOC)Cc1cc[nH+]c(NN)c1 ZINC000052721524 522093503 /nfs/dbraw/zinc/09/35/03/522093503.db2.gz XLDWTIQAZPULAU-LLVKDONJSA-N 2 0 252.362 1.614 10 0 CDAERP C[NH+]1CCC(C(=O)NCC2([NH2+]CCCF)CCC2)CC1 ZINC001717157958 1180554155 /nfs/dbraw/zinc/55/41/55/1180554155.db2.gz GBBHCSHDBRTJPG-UHFFFAOYSA-N 2 0 285.407 1.316 10 0 CDAERP C[NH2+]Cc1nc(CN2CC[NH+](C3CC3)CC2)cs1 ZINC000052371216 522151820 /nfs/dbraw/zinc/15/18/20/522151820.db2.gz SCLLHFTYXGYDGY-UHFFFAOYSA-N 2 0 266.414 1.143 10 0 CDAERP CCCC[NH+]1CC([C@@H](C)NC(=O)C[N@H+](C)C(C)C)C1 ZINC001725271025 1181946338 /nfs/dbraw/zinc/94/63/38/1181946338.db2.gz XYFALAUCVMMFET-CYBMUJFWSA-N 2 0 269.433 1.563 10 0 CDAERP C(C[N@@H+]1CCC[C@@H]1C1CCCC1)N1CCC[NH2+]CC1 ZINC000061275722 518388315 /nfs/dbraw/zinc/38/83/15/518388315.db2.gz ZKXCCYKEPHRWAJ-MRXNPFEDSA-N 2 0 265.445 1.936 10 0 CDAERP C([NH2+]C1CC1)[C@@H]1CC[C@@H](C[NH+]2CCN(C3CC3)CC2)O1 ZINC000052371402 518397486 /nfs/dbraw/zinc/39/74/86/518397486.db2.gz WDDZUVPHUURWQU-HOTGVXAUSA-N 2 0 279.428 1.066 10 0 CDAERP CC(C)CCCOC[C@@H](O)C[NH2+][C@@H](C)CC[NH+](C)C ZINC000049557228 519642909 /nfs/dbraw/zinc/64/29/09/519642909.db2.gz IYCWLNXPZPLXLE-GJZGRUSLSA-N 2 0 274.449 1.730 10 0 CDAERP CC(C)CCCOC[C@H](O)C[NH2+][C@H](C)CC[NH+](C)C ZINC000049557229 519642976 /nfs/dbraw/zinc/64/29/76/519642976.db2.gz IYCWLNXPZPLXLE-HUUCEWRRSA-N 2 0 274.449 1.730 10 0 CDAERP CC(C)[NH2+]C[C@H]1CC[C@H](C[N@@H+]2CCCN(C)CC2)O1 ZINC000052424371 519725819 /nfs/dbraw/zinc/72/58/19/519725819.db2.gz YQDOHPYMJFPHKH-HUUCEWRRSA-N 2 0 269.433 1.170 10 0 CDAERP CC(C)[NH2+]C[C@H]1CC[C@@H](C[N@@H+]2CCCN(C)CC2)O1 ZINC000052424374 519725896 /nfs/dbraw/zinc/72/58/96/519725896.db2.gz YQDOHPYMJFPHKH-CABCVRRESA-N 2 0 269.433 1.170 10 0 CDAERP CC(C)[NH2+]Cc1cc(CN2CCC[N@H+](C)CC2)on1 ZINC000052424233 519726314 /nfs/dbraw/zinc/72/63/14/519726314.db2.gz DDYBTQGCUUKAIK-UHFFFAOYSA-N 2 0 266.389 1.310 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000049197404 519793480 /nfs/dbraw/zinc/79/34/80/519793480.db2.gz LTDHIDSQNSCTKR-JALIKCBVSA-N 2 0 253.434 1.787 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000054308326 519843450 /nfs/dbraw/zinc/84/34/50/519843450.db2.gz SSHVWKVNSBWEMS-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP CC[NH2+]CCC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000061296639 519915527 /nfs/dbraw/zinc/91/55/27/519915527.db2.gz SSMBWWMDRABACF-UHFFFAOYSA-N 2 0 267.417 1.320 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)N1CC[NH+]([C@H](C)CC)CC1 ZINC000061268447 519934682 /nfs/dbraw/zinc/93/46/82/519934682.db2.gz GENVQRBHDIHMPT-CHWSQXEVSA-N 2 0 255.406 1.175 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@@H](CN2CCC([NH+](C)C)CC2)O1 ZINC000052477782 519950654 /nfs/dbraw/zinc/95/06/54/519950654.db2.gz DKARFKDRIWEPAP-GJZGRUSLSA-N 2 0 269.433 1.170 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000061232742 519968250 /nfs/dbraw/zinc/96/82/50/519968250.db2.gz QXRZFUROUGOAFN-ZDUSSCGKSA-N 2 0 293.411 1.811 10 0 CDAERP CC[NH2+]Cc1cn(CC[N@H+](CCOC)[C@H](C)C2CC2)nn1 ZINC000052545382 520014015 /nfs/dbraw/zinc/01/40/15/520014015.db2.gz NPWKMECMMSDMEP-CYBMUJFWSA-N 2 0 295.431 1.135 10 0 CDAERP CCC[NH2+][C@@H]1CCC[C@@H]1N1CCC[C@@H]1C[NH+](C)C ZINC000061643738 520023118 /nfs/dbraw/zinc/02/31/18/520023118.db2.gz BGWOZFSUKVXXLQ-KFWWJZLASA-N 2 0 253.434 1.933 10 0 CDAERP CC[NH2+][C@H](C)C1CC[NH+](C[C@@H](O)COCC)CC1 ZINC000069274296 520161815 /nfs/dbraw/zinc/16/18/15/520161815.db2.gz VZTFFEBAAYZBAJ-TZMCWYRMSA-N 2 0 258.406 1.094 10 0 CDAERP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]([NH3+])CCOC)c1 ZINC000052792658 520756942 /nfs/dbraw/zinc/75/69/42/520756942.db2.gz UANBMONLRHMKAK-HNNXBMFYSA-N 2 0 293.411 1.831 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(C(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000062972762 520870214 /nfs/dbraw/zinc/87/02/14/520870214.db2.gz PPTKAGICYCKSRX-KGLIPLIRSA-N 2 0 267.417 1.319 10 0 CDAERP CC1CC[NH+](CCNC(=O)[C@@H]2CC[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000055136692 521015214 /nfs/dbraw/zinc/01/52/14/521015214.db2.gz WXHCVLFCFCWLKF-RRFJBIMHSA-N 2 0 281.444 1.598 10 0 CDAERP CC[NH+]1CCC(N(C)Cc2cc(C[NH3+])c(C)o2)CC1 ZINC000052544000 521564318 /nfs/dbraw/zinc/56/43/18/521564318.db2.gz WGVASZJFKWTQOW-UHFFFAOYSA-N 2 0 265.401 1.963 10 0 CDAERP CCCN(CC[NH+](C)C)C[C@@]1(C[NH2+]CC)CCOC1 ZINC000051254353 521656656 /nfs/dbraw/zinc/65/66/56/521656656.db2.gz KHWDPLQZAAQVEJ-HNNXBMFYSA-N 2 0 271.449 1.276 10 0 CDAERP C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CC1CC[NH+](C)CC1 ZINC000054602706 521954716 /nfs/dbraw/zinc/95/47/16/521954716.db2.gz WKSYNRWKABPHQX-MQVJKMGUSA-N 2 0 265.445 1.933 10 0 CDAERP C[NH2+]CC1(C[N@H+](C)C2CCOCC2)CCOCC1 ZINC000052181931 521965458 /nfs/dbraw/zinc/96/54/58/521965458.db2.gz DQSHOGBSSREQEY-UHFFFAOYSA-N 2 0 256.390 1.113 10 0 CDAERP C[NH2+]C[C@@H](c1ccccc1)N1CC[NH+](C2CC2)CC1 ZINC000052371424 522038996 /nfs/dbraw/zinc/03/89/96/522038996.db2.gz JKBSCXWZBKICEY-INIZCTEOSA-N 2 0 259.397 1.727 10 0 CDAERP C[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)C[C@@H]2CCCCO2)O1 ZINC000052507607 522057944 /nfs/dbraw/zinc/05/79/44/522057944.db2.gz KHQKBPZJDSOLOV-IHRRRGAJSA-N 2 0 256.390 1.254 10 0 CDAERP C[NH2+]C[C@@H]1CC[C@H](CN2CC[NH+](CC(C)C)CC2)O1 ZINC000055082785 522061270 /nfs/dbraw/zinc/06/12/70/522061270.db2.gz MWMNUMUCGAIAIR-LSDHHAIUSA-N 2 0 269.433 1.027 10 0 CDAERP C[NH2+]C[C@H](C(C)C)N1CC[NH+](C2CCCC2)CC1 ZINC000052573426 522063814 /nfs/dbraw/zinc/06/38/14/522063814.db2.gz OGFJRGLELZMFCD-OAHLLOKOSA-N 2 0 253.434 1.791 10 0 CDAERP CC[C@H](CC[NH3+])[NH+]1CCN(CCOCC(F)(F)F)CC1 ZINC000049310725 522129303 /nfs/dbraw/zinc/12/93/03/522129303.db2.gz IYKQMXCEQSFTGA-GFCCVEGCSA-N 2 0 297.365 1.310 10 0 CDAERP C[NH2+]Cc1cn(CC[N@H+](C)CC2CCCCC2)nn1 ZINC000052346766 522142404 /nfs/dbraw/zinc/14/24/04/522142404.db2.gz HDIGWYWXZPQMGW-UHFFFAOYSA-N 2 0 265.405 1.510 10 0 CDAERP CC[C@@H]([NH3+])[C@H](c1cnn(C)c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062977428 522656225 /nfs/dbraw/zinc/65/62/25/522656225.db2.gz XRCOWTACQAIIHD-XHSDSOJGSA-N 2 0 291.443 1.369 10 0 CDAERP COC1CC[NH+](C[C@@H]2CC[C@@H](C[NH2+]CC(C)C)O2)CC1 ZINC000052455448 522703515 /nfs/dbraw/zinc/70/35/15/522703515.db2.gz QXOWDIRXSZMRPJ-HOTGVXAUSA-N 2 0 284.444 1.890 10 0 CDAERP COCCC[N@H+](CCOC)[C@@H](C)CCC[NH2+]C1CC1 ZINC000052543282 523256961 /nfs/dbraw/zinc/25/69/61/523256961.db2.gz BOACQFCWBWCZGD-AWEZNQCLSA-N 2 0 272.433 1.892 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCNC[C@@H]1CC[NH+](C2CC2)C1 ZINC000052205665 523792651 /nfs/dbraw/zinc/79/26/51/523792651.db2.gz ZYFXCYZOAONRAH-LSDHHAIUSA-N 2 0 265.445 1.935 10 0 CDAERP COc1ccc(C)cc1[C@@H](O)C[NH2+][C@H](C)CC[NH+](C)C ZINC000049557342 523855599 /nfs/dbraw/zinc/85/55/99/523855599.db2.gz UCVVSZQVWNBDNF-HIFRSBDPSA-N 2 0 280.412 1.967 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000055064281 523951588 /nfs/dbraw/zinc/95/15/88/523951588.db2.gz YJPNIXSKQHWZBV-ZDUSSCGKSA-N 2 0 275.396 1.702 10 0 CDAERP C[NH+](C)CC(C)(C)CNC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000055086611 524046391 /nfs/dbraw/zinc/04/63/91/524046391.db2.gz JLNAPWYGCGMULT-RYUDHWBXSA-N 2 0 255.406 1.208 10 0 CDAERP C[NH+](C)CCCOCCOc1ccccc1C[NH3+] ZINC000052672517 524057355 /nfs/dbraw/zinc/05/73/55/524057355.db2.gz YXOVDRIGCDVWLD-UHFFFAOYSA-N 2 0 252.358 1.492 10 0 CDAERP CNC(=O)[C@H](C)[NH2+]C1[C@@H]2CCC[C@H]1C[N@H+](C(C)C)C2 ZINC000049107907 524100813 /nfs/dbraw/zinc/10/08/13/524100813.db2.gz JKBXBFDBTKWVRP-ICIURTGMSA-N 2 0 267.417 1.219 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000227870774 524102967 /nfs/dbraw/zinc/10/29/67/524102967.db2.gz IJLDVNYUPBREDR-MGPQQGTHSA-N 2 0 267.417 1.495 10 0 CDAERP C[C@H]1CCC[C@@H](C(=O)NCC[NH+]2CCCCC2)[C@@H]1[NH3+] ZINC000055138372 524128105 /nfs/dbraw/zinc/12/81/05/524128105.db2.gz POTGHCPSJSMBIB-BFHYXJOUSA-N 2 0 267.417 1.352 10 0 CDAERP C[C@H]1CCC[C@H](C(=O)NC[C@@H]2CCC[N@H+](C)C2)[C@@H]1[NH3+] ZINC000055138512 524178423 /nfs/dbraw/zinc/17/84/23/524178423.db2.gz SDHNXBRGPISBNN-XDQVBPFNSA-N 2 0 267.417 1.208 10 0 CDAERP C[C@H]1CCC[C@](C[NH3+])(N2CCC[C@@H]2C[NH+](C)C)C1 ZINC000061643018 524223468 /nfs/dbraw/zinc/22/34/68/524223468.db2.gz WRACKDJITWPTKF-ZNMIVQPWSA-N 2 0 253.434 1.920 10 0 CDAERP C[C@@H]1CCC[C@H](C(=O)N2CCC(C[NH+](C)C)CC2)[C@@H]1[NH3+] ZINC000055134920 524344449 /nfs/dbraw/zinc/34/44/49/524344449.db2.gz MTOINQSDVKQALD-VHDGCEQUSA-N 2 0 281.444 1.550 10 0 CDAERP CC[N@H+](C)CCC(=O)NCC1=CC[NH+](CC[C@@H](C)F)CC1 ZINC001677621343 1174379491 /nfs/dbraw/zinc/37/94/91/1174379491.db2.gz OYBAZRLHIVJDIN-CQSZACIVSA-N 2 0 299.434 1.825 10 0 CDAERP C[C@H]([NH3+])c1c(F)cccc1N1CCN(CC[NH+](C)C)CC1 ZINC000061644875 524861091 /nfs/dbraw/zinc/86/10/91/524861091.db2.gz DTNWUJLQICJBPA-ZDUSSCGKSA-N 2 0 294.418 1.529 10 0 CDAERP C[C@@H]([NH2+]CCN1CCC[C@@H]1C[NH+](C)C)[C@@H]1CCCO1 ZINC000061655205 525449075 /nfs/dbraw/zinc/44/90/75/525449075.db2.gz ANCISFONQUQWRE-KFWWJZLASA-N 2 0 269.433 1.170 10 0 CDAERP C[C@H](C(=O)Nc1cccc(C[NH+](C)C)c1)C1C[NH2+]C1 ZINC000163981993 526154930 /nfs/dbraw/zinc/15/49/30/526154930.db2.gz UPKOTMWOXCATLL-NSHDSACASA-N 2 0 261.369 1.542 10 0 CDAERP [NH3+]CCCCC[N@@H+]1CCCN(CCC[NH+]2CCCC2)CC1 ZINC000049332130 527173816 /nfs/dbraw/zinc/17/38/16/527173816.db2.gz FGODDLOQKWWPRZ-UHFFFAOYSA-N 3 0 296.503 1.609 10 0 CDAERP [NH3+][C@H]1CCC[C@@H](C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000055090558 527401896 /nfs/dbraw/zinc/40/18/96/527401896.db2.gz YCQCMFCLYHAKDA-RQJABVFESA-N 2 0 265.401 1.247 10 0 CDAERP CC(C)C[C@H]([NH2+][C@@H]1COC(C)(C)C1)C(=O)NCC[NH+](C)C ZINC000417970625 528574657 /nfs/dbraw/zinc/57/46/57/528574657.db2.gz RNNXZHXLBQLRDT-KBPBESRZSA-N 2 0 299.459 1.236 10 0 CDAERP CC(C)[NH+](CCNC(=O)N1CC[C@H]([NH3+])[C@@H]1C)C(C)C ZINC000416813613 535069473 /nfs/dbraw/zinc/06/94/73/535069473.db2.gz UTQQUCIZWIARAJ-STQMWFEESA-N 2 0 270.421 1.236 10 0 CDAERP CC[NH+](CC)CC(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000262174523 535494846 /nfs/dbraw/zinc/49/48/46/535494846.db2.gz AYNZKSZZQQHAPQ-UHFFFAOYSA-N 2 0 296.440 1.890 10 0 CDAERP CN(C(=O)N[C@H]1CCCC[C@@H]1C[NH3+])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418403026 536052174 /nfs/dbraw/zinc/05/21/74/536052174.db2.gz HWSHXHICFMRYJX-YYJFMHSASA-N 2 0 294.443 1.428 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H](c1ccc(C)cc1)N(C)C ZINC000422794157 536850275 /nfs/dbraw/zinc/85/02/75/536850275.db2.gz YRGGFLUZIJCXFT-DLBZAZTESA-N 2 0 293.455 1.941 10 0 CDAERP CC(C)[C@H](C[NH2+][C@@H]1CCCOC1)N1CC[NH+](C)CC1 ZINC000070464877 538388842 /nfs/dbraw/zinc/38/88/42/538388842.db2.gz DCIWIADIORTQBL-CABCVRRESA-N 2 0 269.433 1.027 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000073433784 538471714 /nfs/dbraw/zinc/47/17/14/538471714.db2.gz MWMASYOPVANRKQ-AWEZNQCLSA-N 2 0 267.417 1.317 10 0 CDAERP C[N@@H+]1CCC[C@@]2(C[NH2+]C[C@H]2C(=O)OC(C)(C)C)CC1 ZINC000757184554 574901611 /nfs/dbraw/zinc/90/16/11/574901611.db2.gz LQBBNANVNASNPN-WFASDCNBSA-N 2 0 268.401 1.650 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=S)NCCC[NH+](C)C)CC[N@@H+]1C ZINC000741487670 576561594 /nfs/dbraw/zinc/56/15/94/576561594.db2.gz KKWLXPHXNPCMHP-OLZOCXBDSA-N 2 0 286.489 1.227 10 0 CDAERP C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc2c(c1)ncn2C ZINC000774816558 575244191 /nfs/dbraw/zinc/24/41/91/575244191.db2.gz QWAZFFARKWCEAO-FZMZJTMJSA-N 2 0 258.369 1.613 10 0 CDAERP C[C@H](CNC(=O)N(C)CCC[NH+](C)C)[NH+]1CCCCC1 ZINC000758386715 577104010 /nfs/dbraw/zinc/10/40/10/577104010.db2.gz HATCPFQUGLNSDQ-CQSZACIVSA-N 2 0 284.448 1.454 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC)[C@@H]1C)[NH+](CC)CC ZINC001689316750 1175145374 /nfs/dbraw/zinc/14/53/74/1175145374.db2.gz IPVIOJGXDQHZGB-HZSPNIEDSA-N 2 0 269.433 1.706 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]CCCO ZINC001689910138 1175301593 /nfs/dbraw/zinc/30/15/93/1175301593.db2.gz ZASZZSUAKPMUPH-GJZGRUSLSA-N 2 0 299.459 1.070 10 0 CDAERP C[N@@H+]1CC[C@](O)(CN[C@H](c2ccccn2)C2CCC2)C1 ZINC000926173191 617442041 /nfs/dbraw/zinc/44/20/41/617442041.db2.gz IWRRKDUTOZHKPT-HOTGVXAUSA-N 2 0 275.396 1.579 10 0 CDAERP C[NH+](C)C1CCN(CC[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925532938 617465136 /nfs/dbraw/zinc/46/51/36/617465136.db2.gz YXDKFWZQRVOPJP-HUUCEWRRSA-N 3 0 296.503 1.508 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]CCNC(=O)c2ccccc2)C12CCC2 ZINC000925572548 617521042 /nfs/dbraw/zinc/52/10/42/617521042.db2.gz JMOHLPLJADKBKR-ZIAGYGMSSA-N 2 0 273.380 1.276 10 0 CDAERP CC1(C)C[C@@H]([NH2+]CCS(=O)(=O)CC2CC2)C[C@@H]([NH3+])C1 ZINC000925582507 617530468 /nfs/dbraw/zinc/53/04/68/617530468.db2.gz GGDLYGGREWARKD-OLZOCXBDSA-N 2 0 288.457 1.307 10 0 CDAERP C[NH+](C)CCc1ccccc1NC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000931017734 617581017 /nfs/dbraw/zinc/58/10/17/617581017.db2.gz FOGANILMTBOKNB-AWEZNQCLSA-N 2 0 290.411 1.616 10 0 CDAERP Cc1ccccc1C[C@H](CO)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925643739 617586519 /nfs/dbraw/zinc/58/65/19/617586519.db2.gz HAWOLRYKYWWANF-OAGGEKHMSA-N 2 0 274.408 1.758 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](CO)c2ccc(F)cc2)C12CCC2 ZINC000925692761 617699514 /nfs/dbraw/zinc/69/95/14/617699514.db2.gz QQZIVEORMPMSSW-NWANDNLSSA-N 2 0 278.371 1.761 10 0 CDAERP CCO[C@@H](CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)C[NH+](C)C ZINC000925841453 617872124 /nfs/dbraw/zinc/87/21/24/617872124.db2.gz RFACTEABTINCLO-XGUBFFRZSA-N 2 0 283.460 1.319 10 0 CDAERP CCO[C@@H](CN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)C[NH+](C)C ZINC000925841452 617871901 /nfs/dbraw/zinc/87/19/01/617871901.db2.gz RFACTEABTINCLO-LJISPDSOSA-N 2 0 283.460 1.319 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925669927 617627769 /nfs/dbraw/zinc/62/77/69/617627769.db2.gz ZDZSMCIDNDMWFC-IHRRRGAJSA-N 2 0 253.434 1.966 10 0 CDAERP CCO[C@@H]1COC[C@H]1[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925691567 617697936 /nfs/dbraw/zinc/69/79/36/617697936.db2.gz MJCBTRKIGNEFON-WUHRBBMRSA-N 2 0 256.390 1.286 10 0 CDAERP OC1(C2(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)CCOCC1 ZINC000925825561 617807862 /nfs/dbraw/zinc/80/78/62/617807862.db2.gz GOKZVKHPXVLZJL-RBSFLKMASA-N 2 0 294.439 1.286 10 0 CDAERP C1CC2(C1)C[C@@H](N[C@@H]1CC[NH2+]C13CCCC3)CC[NH2+]2 ZINC000925711412 617808024 /nfs/dbraw/zinc/80/80/24/617808024.db2.gz YYQVNXVWRWPADP-UONOGXRCSA-N 2 0 263.429 1.925 10 0 CDAERP CC1(C)[C@@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925713743 617819532 /nfs/dbraw/zinc/81/95/32/617819532.db2.gz YQQVJFOLOPVETH-MQYQWHSLSA-N 2 0 263.429 1.495 10 0 CDAERP CCN1CCC[C@H]([NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1=O ZINC000925827160 617839784 /nfs/dbraw/zinc/83/97/84/617839784.db2.gz MVVDSDGGAGQREL-AGIUHOORSA-N 2 0 267.417 1.493 10 0 CDAERP CCN1CCC[C@H]([NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)C1=O ZINC000925827163 617839907 /nfs/dbraw/zinc/83/99/07/617839907.db2.gz MVVDSDGGAGQREL-XQQFMLRXSA-N 2 0 267.417 1.493 10 0 CDAERP C[NH+](C)CC[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1cccnc1 ZINC000925828739 617845449 /nfs/dbraw/zinc/84/54/49/617845449.db2.gz ZNALSPSZRWPFNS-JYJNAYRXSA-N 2 0 276.428 1.934 10 0 CDAERP C[C@@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000925833388 617858585 /nfs/dbraw/zinc/85/85/85/617858585.db2.gz HJSNMXUGHPEZET-GRYCIOLGSA-N 2 0 281.366 1.989 10 0 CDAERP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC[C@@H]1CNC(=O)C1 ZINC000925838739 617869789 /nfs/dbraw/zinc/86/97/89/617869789.db2.gz NULBXPHWSWRDMI-QEJZJMRPSA-N 2 0 275.396 1.061 10 0 CDAERP C(CC[NH2+][C@@H]1CCC12CCOCC2)CCN1CC[NH2+]CC1 ZINC000925846738 617881967 /nfs/dbraw/zinc/88/19/67/617881967.db2.gz PBOZPBPQXXMZEM-MRXNPFEDSA-N 2 0 295.471 1.611 10 0 CDAERP COC(=O)[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+]C2)[C@@H]([C@H]2CCCO2)C1 ZINC000923555260 618345051 /nfs/dbraw/zinc/34/50/51/618345051.db2.gz SCTQFIOVTZKJIF-KBUPBQIOSA-N 2 0 296.411 1.029 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CC[C@@](C)(O)c1ccccc1 ZINC000817924464 618488664 /nfs/dbraw/zinc/48/86/64/618488664.db2.gz RSUFHRJOUDOSDF-JKSUJKDBSA-N 2 0 280.412 1.628 10 0 CDAERP C[C@H]1CC2(CC([NH2+]C[C@H]3CCC[N@H+](C)C3)C2)CO1 ZINC000925010651 618766414 /nfs/dbraw/zinc/76/64/14/618766414.db2.gz NAXABAGKNAUXNY-ZUJMUWTESA-N 2 0 252.402 1.875 10 0 CDAERP CC(C)[C@@H]1COCC[C@@H]1[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000925022296 618794450 /nfs/dbraw/zinc/79/44/50/618794450.db2.gz FXWNTMUHDCHWJG-ULQDDVLXSA-N 2 0 298.471 1.874 10 0 CDAERP C[C@@H]1[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)CO[C@H]1C ZINC000925024976 618800276 /nfs/dbraw/zinc/80/02/76/618800276.db2.gz YWMOOZYDFAEZOO-AJNGGQMLSA-N 2 0 270.417 1.236 10 0 CDAERP C[C@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[N@@H+]1C ZINC000928441554 619085758 /nfs/dbraw/zinc/08/57/58/619085758.db2.gz SNGNLWPXJUKMEG-KBPBESRZSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H](CC[NH2+]CC(C)(C)N1CCOCC1)[NH+](C)C ZINC000895291262 619520372 /nfs/dbraw/zinc/52/03/72/619520372.db2.gz AGOHNXJIUSIPMM-ZDUSSCGKSA-N 2 0 257.422 1.027 10 0 CDAERP C[C@@H]1CCN(CC[NH2+][C@H]2CCOC23CCOCC3)C1 ZINC000925198924 620550527 /nfs/dbraw/zinc/55/05/27/620550527.db2.gz YVWOVSNVMVPIGY-KGLIPLIRSA-N 2 0 268.401 1.256 10 0 CDAERP CC[C@H]1CCN(C(=[NH2+])NC[C@H]2CC[N@H+](CC)C2)C1 ZINC000864453672 620922766 /nfs/dbraw/zinc/92/27/66/620922766.db2.gz YLFSSKHATCHTGI-QWHCGFSZSA-N 2 0 252.406 1.584 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+][C@@H]2CO[C@@H](C)[C@@H]2C)CC1 ZINC000924655201 621636858 /nfs/dbraw/zinc/63/68/58/621636858.db2.gz PIAGXMZRJWPDMF-SOUVJXGZSA-N 2 0 269.433 1.027 10 0 CDAERP CCO[C@H](CC[NH+](C)C)CNC(=[NH2+])N[C@@H](C)C1CC1 ZINC000899271311 622135787 /nfs/dbraw/zinc/13/57/87/622135787.db2.gz VIZTZGCMEXLORX-WCQYABFASA-N 2 0 270.421 1.256 10 0 CDAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[N@@H+]1CCC[C@@H](C)C1 ZINC000900204630 622801244 /nfs/dbraw/zinc/80/12/44/622801244.db2.gz MFDMYOSQPODTNM-KGLIPLIRSA-N 2 0 279.428 1.319 10 0 CDAERP C[C@@H]1CCC[C@@](CNC(=O)C23CC[NH+](CC2)C3)([NH+](C)C)C1 ZINC000900321710 622890696 /nfs/dbraw/zinc/89/06/96/622890696.db2.gz XSEVABPSDGLISN-RHSMWYFYSA-N 2 0 293.455 1.709 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000900586153 623297033 /nfs/dbraw/zinc/29/70/33/623297033.db2.gz IDZWFPIUEDDMBO-GJZGRUSLSA-N 2 0 281.444 1.804 10 0 CDAERP CC[NH+](CC)[C@@H](CNC(=O)C12CC[NH+](CC1)C2)CC(C)C ZINC000900684738 623372456 /nfs/dbraw/zinc/37/24/56/623372456.db2.gz FKFVVFDXLVPXRW-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP C[N@H+]1CC=C(CNC(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC000901330819 624138804 /nfs/dbraw/zinc/13/88/04/624138804.db2.gz RAWUZNYWSUJKLD-HUUCEWRRSA-N 2 0 277.412 1.381 10 0 CDAERP C([NH2+][C@@H]1CCO[C@]12CCOC2)C1CC[NH+](CC2CC2)CC1 ZINC000903205011 625898438 /nfs/dbraw/zinc/89/84/38/625898438.db2.gz AIKXNPROOKXLKP-SJORKVTESA-N 2 0 294.439 1.646 10 0 CDAERP CCC[NH+]1CCC([NH2+]CC2(C3(O)CCOCC3)CC2)CC1 ZINC000903354150 625976664 /nfs/dbraw/zinc/97/66/64/625976664.db2.gz RTRCXZDRYSZOCQ-UHFFFAOYSA-N 2 0 296.455 1.772 10 0 CDAERP CCCCNC(=O)[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903432800 625990224 /nfs/dbraw/zinc/99/02/24/625990224.db2.gz KWXFHDDSWJHJAU-ILXRZTDVSA-N 2 0 281.444 1.470 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000903441277 625992975 /nfs/dbraw/zinc/99/29/75/625992975.db2.gz KWWZHVASKFKTJJ-KFWWJZLASA-N 2 0 299.422 1.764 10 0 CDAERP CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903461233 625995819 /nfs/dbraw/zinc/99/58/19/625995819.db2.gz QBZYIAFKAWLZKQ-SCVCMEIPSA-N 2 0 293.333 1.114 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000903460873 625995965 /nfs/dbraw/zinc/99/59/65/625995965.db2.gz KNCBYTQPNCZDIY-YIDVYQOGSA-N 3 0 281.444 1.203 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000903442250 625997173 /nfs/dbraw/zinc/99/71/73/625997173.db2.gz MIIIBOHIRCCXME-NRKLIOEPSA-N 2 0 295.471 1.416 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000903445023 625998727 /nfs/dbraw/zinc/99/87/27/625998727.db2.gz WZTXEYIJGKZQPI-PMPSAXMXSA-N 3 0 265.445 1.792 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000903446462 625999075 /nfs/dbraw/zinc/99/90/75/625999075.db2.gz WZXFUQZITJATOF-APIJFGDWSA-N 2 0 251.418 1.306 10 0 CDAERP CN(CC(F)F)C1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903445950 625999291 /nfs/dbraw/zinc/99/92/91/625999291.db2.gz ORZCRIIVFXQTJF-NEPJUHHUSA-N 2 0 275.387 1.775 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000903454030 626001641 /nfs/dbraw/zinc/00/16/41/626001641.db2.gz RVPHAOVPMJLAHL-QPSCCSFWSA-N 2 0 251.418 1.448 10 0 CDAERP CO[C@@H]1CC[C@@H]2OCC[N@H+](C[C@@H]3CC[C@H]([NH3+])C3)[C@H]2C1 ZINC000903457447 626002595 /nfs/dbraw/zinc/00/25/95/626002595.db2.gz STENIEPRADMMCQ-SEBNEYGDSA-N 2 0 268.401 1.382 10 0 CDAERP CO[C@@]1(C(F)(F)F)CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903482463 626006819 /nfs/dbraw/zinc/00/68/19/626006819.db2.gz ILPZJNQYNMYIGI-VWYCJHECSA-N 2 0 266.307 1.767 10 0 CDAERP C[C@]1([C@H]2CCC[N@H+](C[C@H]3CCC[NH2+]C3)C2)COC(=O)N1 ZINC000903561999 626019643 /nfs/dbraw/zinc/01/96/43/626019643.db2.gz UNPXCFVSLWLQKI-KCQAQPDRSA-N 2 0 281.400 1.197 10 0 CDAERP C(C[N@H+](CC1CC1)C[C@@H]1CCCC[NH2+]C1)N1CCOCC1 ZINC000903767620 626085060 /nfs/dbraw/zinc/08/50/60/626085060.db2.gz XWTRCVQSDIZOII-QGZVFWFLSA-N 2 0 295.471 1.420 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)cnn1C ZINC000903937874 626155791 /nfs/dbraw/zinc/15/57/91/626155791.db2.gz UADDNEIPMBFTPU-OAGGEKHMSA-N 2 0 288.439 1.744 10 0 CDAERP COC(=O)[C@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1C ZINC000903916472 626157107 /nfs/dbraw/zinc/15/71/07/626157107.db2.gz SNCYAUDJBKBOPU-JWURUJNWSA-N 2 0 266.385 1.400 10 0 CDAERP FC1(F)CC[NH2+]C[C@@H]1CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000903957702 626158140 /nfs/dbraw/zinc/15/81/40/626158140.db2.gz SQKXZQPARQLKBU-YIYPIFLZSA-N 2 0 287.398 1.742 10 0 CDAERP CCC1([NH3+])CC[NH+](Cc2ccc(-n3cncn3)cc2)CC1 ZINC000903947442 626163280 /nfs/dbraw/zinc/16/32/80/626163280.db2.gz URLJBEXBTBLUBW-UHFFFAOYSA-N 2 0 285.395 1.971 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000903975147 626169599 /nfs/dbraw/zinc/16/95/99/626169599.db2.gz YGWAZCGQMROFBR-UKRRQHHQSA-N 2 0 285.395 1.603 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccccc1-n1cncn1 ZINC000903965194 626171925 /nfs/dbraw/zinc/17/19/25/626171925.db2.gz ZTEAINXHCMKUNX-OCCSQVGLSA-N 2 0 271.368 1.212 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc2c(c1)CCC(=O)N2C ZINC000903967055 626172216 /nfs/dbraw/zinc/17/22/16/626172216.db2.gz FPXZGHKRPAGHAQ-DOMZBBRYSA-N 2 0 287.407 1.541 10 0 CDAERP c1cc(-c2n[nH]cc2CN2CC[NH2+]CC[NH2+]CC2)cs1 ZINC000904397021 626273464 /nfs/dbraw/zinc/27/34/64/626273464.db2.gz WAOROXXPMRVDJK-UHFFFAOYSA-N 2 0 291.424 1.133 10 0 CDAERP [NH3+]C1(Cc2nc(CC3CC[NH2+]CC3)no2)CCC1 ZINC000905316072 626745575 /nfs/dbraw/zinc/74/55/75/626745575.db2.gz AGLOEFGWOREZNE-UHFFFAOYSA-N 2 0 250.346 1.036 10 0 CDAERP CN(CCC(=O)NC1CC([NH+](C)C)C1)c1cc[nH+]cc1 ZINC000908009253 627969676 /nfs/dbraw/zinc/96/96/76/627969676.db2.gz CKSZUHCIBOXSGQ-UHFFFAOYSA-N 2 0 276.384 1.117 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)N[C@H]1CC[NH+](C)[C@H]1C ZINC000918210519 632344078 /nfs/dbraw/zinc/34/40/78/632344078.db2.gz VFLVHMOEEAISLC-STQMWFEESA-N 2 0 270.421 1.110 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000920515962 632801390 /nfs/dbraw/zinc/80/13/90/632801390.db2.gz XQAFBVFZAKKWJK-UKRRQHHQSA-N 2 0 296.459 1.500 10 0 CDAERP C[C@H]1[C@@H](NC(=O)NC(C)(C)C[NH+]2CCCC2)CC[N@@H+]1C ZINC000925334215 632874491 /nfs/dbraw/zinc/87/44/91/632874491.db2.gz AYTZTCANNATXHW-STQMWFEESA-N 2 0 282.432 1.253 10 0 CDAERP C[C@H]1[C@@H](NC(=O)N(C)CCC[NH+]2CCCC2)CC[N@@H+]1C ZINC000925337250 633004372 /nfs/dbraw/zinc/00/43/72/633004372.db2.gz ICXBCAJQFKIPTJ-KBPBESRZSA-N 2 0 282.432 1.206 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000921704020 633215403 /nfs/dbraw/zinc/21/54/03/633215403.db2.gz GGZGLFWBHQWGJJ-QBPKDAKJSA-N 2 0 295.471 1.417 10 0 CDAERP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cnn(CCF)c1 ZINC000921720828 633241150 /nfs/dbraw/zinc/24/11/50/633241150.db2.gz MHPHJYAUKZQQPN-OAHLLOKOSA-N 2 0 298.406 1.179 10 0 CDAERP CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001717756240 1158476833 /nfs/dbraw/zinc/47/68/33/1158476833.db2.gz CMLBSWURZIFRSJ-STQMWFEESA-N 2 0 255.406 1.317 10 0 CDAERP CN(CC[NH2+]CCF)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001266741257 1158797521 /nfs/dbraw/zinc/79/75/21/1158797521.db2.gz ORFBLUZOHVDEHC-CHWSQXEVSA-N 2 0 271.380 1.021 10 0 CDAERP c1cc(C2CC[NH+](C[C@H]3CC4(C[NH2+]C4)CO3)CC2)ccn1 ZINC001772524743 1158606217 /nfs/dbraw/zinc/60/62/17/1158606217.db2.gz ZGKYHOUYKHZEIP-MRXNPFEDSA-N 2 0 287.407 1.640 10 0 CDAERP CC(C)=CC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H](C)C1 ZINC001269958585 1160080907 /nfs/dbraw/zinc/08/09/07/1160080907.db2.gz HIVWTDYZPNZKDJ-GJZGRUSLSA-N 2 0 281.444 1.873 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]CC1CCC1 ZINC001691622858 1160721432 /nfs/dbraw/zinc/72/14/32/1160721432.db2.gz BUAPRBHMGNXYFJ-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@@H](C[NH2+]CCC(C)(C)C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001483261391 1160885329 /nfs/dbraw/zinc/88/53/29/1160885329.db2.gz XMHAZDIFGOEVNQ-ZDUSSCGKSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@@H](C[NH2+]C[C@@H]1CC(C)(C)CO1)NC(=O)CCC[NH+](C)C ZINC001483261159 1160885912 /nfs/dbraw/zinc/88/59/12/1160885912.db2.gz VMAALTDPPBMRME-KBPBESRZSA-N 2 0 299.459 1.238 10 0 CDAERP C[C@H](F)CC[NH2+]C1(CNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001483779126 1161237525 /nfs/dbraw/zinc/23/75/25/1161237525.db2.gz PGEYFGSDTDODFB-AWEZNQCLSA-N 2 0 299.434 1.705 10 0 CDAERP CC[C@H](C[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1)OC ZINC001410026150 1161551797 /nfs/dbraw/zinc/55/17/97/1161551797.db2.gz LXQTXRMDRYFWEV-KGLIPLIRSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000866703960 1164810664 /nfs/dbraw/zinc/81/06/64/1164810664.db2.gz QOOUWAIMWAXXRB-ZFWWWQNUSA-N 3 0 253.434 1.683 10 0 CDAERP CC1(C)C[C@@H]([NH2+]CCCn2ccnc2)C[C@@H]([NH3+])C1 ZINC000925494349 1164987932 /nfs/dbraw/zinc/98/79/32/1164987932.db2.gz OCYOGKHLGSKPMO-OLZOCXBDSA-N 2 0 250.390 1.769 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)C1 ZINC000872299166 1165412961 /nfs/dbraw/zinc/41/29/61/1165412961.db2.gz YMPNKANOFHAFGZ-ZHMBSYLPSA-N 2 0 277.412 1.104 10 0 CDAERP CC(C)CC[C@@H](O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001620628348 1165661744 /nfs/dbraw/zinc/66/17/44/1165661744.db2.gz KKEFVJGEWGTDIU-KFWWJZLASA-N 2 0 254.418 1.667 10 0 CDAERP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+](C(C)C)C2)C1 ZINC001412622993 1166737801 /nfs/dbraw/zinc/73/78/01/1166737801.db2.gz QZGSPARWJKAQRH-HZPDHXFCSA-N 2 0 295.471 1.907 10 0 CDAERP CCCCCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001568319710 1168107066 /nfs/dbraw/zinc/10/70/66/1168107066.db2.gz SFFLCJBQJLWZBR-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001566809724 1168430945 /nfs/dbraw/zinc/43/09/45/1168430945.db2.gz VNILIUCZIUYMIL-KKUMJFAQSA-N 2 0 281.444 1.755 10 0 CDAERP CCC[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001567498522 1168814520 /nfs/dbraw/zinc/81/45/20/1168814520.db2.gz LBYOVMYJUPRBIQ-QWHCGFSZSA-N 2 0 255.406 1.175 10 0 CDAERP CCC[NH2+]CCN(C)C(=O)c1ccccc1CC[NH+](C)C ZINC001567535711 1168838522 /nfs/dbraw/zinc/83/85/22/1168838522.db2.gz JTPOTQHSYXYDGH-UHFFFAOYSA-N 2 0 291.439 1.862 10 0 CDAERP CC(C)[C@@H](C(=O)NCC12CCC[NH+](CCC1)C2)[NH+](C)C ZINC001649329398 1169204485 /nfs/dbraw/zinc/20/44/85/1169204485.db2.gz KLKZQGNVVBDQPN-AWEZNQCLSA-N 2 0 281.444 1.565 10 0 CDAERP C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C4CC4)CC3)[C@@H]2C1 ZINC001649359505 1169237888 /nfs/dbraw/zinc/23/78/88/1169237888.db2.gz XULAPAUGLSCMED-NUEKZKHPSA-N 2 0 291.439 1.317 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)C1 ZINC001649868153 1169449317 /nfs/dbraw/zinc/44/93/17/1169449317.db2.gz XUIKSXXARVMMII-BARDWOONSA-N 2 0 296.459 1.499 10 0 CDAERP CCN(CC[NH2+]CC1CC(C)C1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001568798041 1169479114 /nfs/dbraw/zinc/47/91/14/1169479114.db2.gz USYHTALDOIOJBS-YMAMQOFZSA-N 2 0 281.444 1.422 10 0 CDAERP C[C@H](F)CC[NH2+]C/C=C/CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001568852118 1169518244 /nfs/dbraw/zinc/51/82/44/1169518244.db2.gz RRPDIHKUVVEMDA-MQGHRYHHSA-N 2 0 297.418 1.338 10 0 CDAERP CCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001570712480 1170248095 /nfs/dbraw/zinc/24/80/95/1170248095.db2.gz LUTJABRVTWCPNV-MELADBBJSA-N 2 0 269.433 1.563 10 0 CDAERP CCC[NH2+]C[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001571180882 1170342592 /nfs/dbraw/zinc/34/25/92/1170342592.db2.gz IMGGELNVKTZJHY-MGPQQGTHSA-N 2 0 267.417 1.223 10 0 CDAERP CCCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001571597054 1170487138 /nfs/dbraw/zinc/48/71/38/1170487138.db2.gz FBDILJAWRRKQPK-HUUCEWRRSA-N 2 0 299.459 1.070 10 0 CDAERP CC(C)[N@H+](C)CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001660146049 1172167066 /nfs/dbraw/zinc/16/70/66/1172167066.db2.gz KZBRQCGCJSOODH-AWEZNQCLSA-N 2 0 267.417 1.175 10 0 CDAERP CC(C)[NH2+][C@H](C)CNC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001662356678 1172535998 /nfs/dbraw/zinc/53/59/98/1172535998.db2.gz OMMXPZHBGLCLAI-WDEREUQCSA-N 2 0 252.362 1.091 10 0 CDAERP CC[NH+](CC)CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001663442797 1172695949 /nfs/dbraw/zinc/69/59/49/1172695949.db2.gz GFUTWFFBQDIYJP-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCOC ZINC001666486720 1173139060 /nfs/dbraw/zinc/13/90/60/1173139060.db2.gz WALSRRDVSJOBOP-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]CC=C(C)C ZINC001667038286 1173225480 /nfs/dbraw/zinc/22/54/80/1173225480.db2.gz HBTDKFKPHFTSOD-CQSZACIVSA-N 2 0 269.433 1.731 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@@H]1[C@H]2C[NH+](C(C)C)C[C@H]21 ZINC001675558511 1174126524 /nfs/dbraw/zinc/12/65/24/1174126524.db2.gz HYJYTNRSTNSQRN-ZSOGYDGISA-N 2 0 267.417 1.031 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@@H]1[C@H]2C[NH+](CC=C(C)C)C[C@H]21 ZINC001675553221 1174126961 /nfs/dbraw/zinc/12/69/61/1174126961.db2.gz OAUFMGKIXYJNKV-PHZGNYQRSA-N 2 0 293.455 1.588 10 0 CDAERP CCCC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001676018396 1174173661 /nfs/dbraw/zinc/17/36/61/1174173661.db2.gz LVNUCJXPLWHRII-KGLIPLIRSA-N 2 0 269.433 1.613 10 0 CDAERP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](CCCCCF)C2)CC[N@@H+]1C ZINC001698551482 1175836005 /nfs/dbraw/zinc/83/60/05/1175836005.db2.gz UHTOIQVJJXWNSF-RBSFLKMASA-N 2 0 299.434 1.657 10 0 CDAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CCCF ZINC001698609016 1175870176 /nfs/dbraw/zinc/87/01/76/1175870176.db2.gz CGLZPLFTEIXMHK-IHRRRGAJSA-N 2 0 287.423 1.561 10 0 CDAERP CC(C)OCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001698832593 1175954180 /nfs/dbraw/zinc/95/41/80/1175954180.db2.gz HCQBOYCMKCQWKW-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CC(C)C ZINC001699185569 1176131601 /nfs/dbraw/zinc/13/16/01/1176131601.db2.gz VRFHSKRXESUZOU-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H](C[NH2+]CCCF)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001699384947 1176344644 /nfs/dbraw/zinc/34/46/44/1176344644.db2.gz WAIPDWXGBYLODA-CYBMUJFWSA-N 2 0 299.434 1.562 10 0 CDAERP C[C@H]1C[C@H]([NH2+]CCCF)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001699740925 1176599011 /nfs/dbraw/zinc/59/90/11/1176599011.db2.gz SJALRFHDJLJVFX-UONOGXRCSA-N 2 0 297.418 1.411 10 0 CDAERP CC[NH2+]CC[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001700077004 1176739502 /nfs/dbraw/zinc/73/95/02/1176739502.db2.gz ANUWSTNFLBUOBQ-ZDUSSCGKSA-N 2 0 267.417 1.176 10 0 CDAERP COCCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CCC1 ZINC001700135593 1176765684 /nfs/dbraw/zinc/76/56/84/1176765684.db2.gz LHUAQIMPVKPSNM-AWEZNQCLSA-N 2 0 297.443 1.136 10 0 CDAERP COCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001700172930 1176779298 /nfs/dbraw/zinc/77/92/98/1176779298.db2.gz UAMYAZULEJWFQX-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001700345153 1176861378 /nfs/dbraw/zinc/86/13/78/1176861378.db2.gz GCXYJFBDJCFNQY-QLFBSQMISA-N 2 0 299.434 1.799 10 0 CDAERP CCOCC[NH2+][C@@H](C)[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001700419694 1176918332 /nfs/dbraw/zinc/91/83/32/1176918332.db2.gz WUZQXFHPWFNNIE-UONOGXRCSA-N 2 0 299.459 1.238 10 0 CDAERP CC[C@H](C(=O)NCC1=CC[N@H+](CCC2CC2)CC1)[NH+](C)C ZINC001701052752 1177258193 /nfs/dbraw/zinc/25/81/93/1177258193.db2.gz OIFVUNOOORKSNX-MRXNPFEDSA-N 2 0 293.455 1.875 10 0 CDAERP CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001713208770 1178431286 /nfs/dbraw/zinc/43/12/86/1178431286.db2.gz YPDMFBZXAHFCMO-MJBXVCDLSA-N 2 0 267.417 1.364 10 0 CDAERP CCC[N@H+](C)CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001713469962 1178586396 /nfs/dbraw/zinc/58/63/96/1178586396.db2.gz GOLJLWXRKLTKLO-KBPBESRZSA-N 2 0 267.417 1.461 10 0 CDAERP CCOCC[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001713968053 1178898496 /nfs/dbraw/zinc/89/84/96/1178898496.db2.gz BVKZZOALKLSGBI-SHTZXODSSA-N 2 0 297.443 1.136 10 0 CDAERP CCCC[NH2+][C@H](CC)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001714074697 1178961852 /nfs/dbraw/zinc/96/18/52/1178961852.db2.gz SCKYOTZXOQGEMF-HUUCEWRRSA-N 2 0 281.444 1.613 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001714359205 1179103429 /nfs/dbraw/zinc/10/34/29/1179103429.db2.gz NVILRPWBSYKYQO-HUUCEWRRSA-N 2 0 281.444 1.851 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)C(C)C ZINC001714554703 1179209700 /nfs/dbraw/zinc/20/97/00/1179209700.db2.gz GMSGOXWOJFKCFC-AWEZNQCLSA-N 2 0 269.433 1.563 10 0 CDAERP Cc1ncc(C[NH2+]CCN(C)C(=O)[C@@H]2CCC[N@@H+]2C)s1 ZINC001714689220 1179330653 /nfs/dbraw/zinc/33/06/53/1179330653.db2.gz CDPQVINRQCMUDO-ZDUSSCGKSA-N 2 0 296.440 1.094 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N(C)CC[NH2+]CC2CCCC2)CC[N@@H+]1C ZINC001714756565 1179380622 /nfs/dbraw/zinc/38/06/22/1179380622.db2.gz WBWSFULTAFYSPF-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]C/C=C\Cl)[NH+](C)C ZINC001715362375 1179643122 /nfs/dbraw/zinc/64/31/22/1179643122.db2.gz LQTWECYKZXAPOR-XPOJSHTGSA-N 2 0 275.824 1.516 10 0 CDAERP C[C@H](C[NH2+]CCC1CC1)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001715365762 1179645085 /nfs/dbraw/zinc/64/50/85/1179645085.db2.gz GIAHNNBWFRVSBQ-CQSZACIVSA-N 2 0 295.471 1.955 10 0 CDAERP CCCC[NH2+][C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001715496296 1179683056 /nfs/dbraw/zinc/68/30/56/1179683056.db2.gz RSRUJJYHVQPQTP-HZPDHXFCSA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)C[NH2+]C[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001715994342 1179971703 /nfs/dbraw/zinc/97/17/03/1179971703.db2.gz BYJQBLKLAVHMQS-OLZOCXBDSA-N 2 0 255.406 1.079 10 0 CDAERP CC(C)C[NH2+]C[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001715994344 1179971735 /nfs/dbraw/zinc/97/17/35/1179971735.db2.gz BYJQBLKLAVHMQS-STQMWFEESA-N 2 0 255.406 1.079 10 0 CDAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCCF ZINC001715998366 1179974231 /nfs/dbraw/zinc/97/42/31/1179974231.db2.gz JKGNBLBZLLNFMV-KBPBESRZSA-N 2 0 287.423 1.703 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]CC1CCCC1 ZINC001716009263 1179981228 /nfs/dbraw/zinc/98/12/28/1179981228.db2.gz NWBNXELFZBJQBE-ZDUSSCGKSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@@H](C[N@H+](C)CC1CCC1)NC(=O)CC[NH+](C)C ZINC001716042319 1180018086 /nfs/dbraw/zinc/01/80/86/1180018086.db2.gz WOWMRKVLHHHLCM-LBPRGKRZSA-N 2 0 255.406 1.175 10 0 CDAERP CC/C=C/CC[NH2+]CC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001716187906 1180089692 /nfs/dbraw/zinc/08/96/92/1180089692.db2.gz SYTLLOIAUMIXBM-RGDDUWESSA-N 2 0 293.455 1.923 10 0 CDAERP C[C@@H](CC[NH2+]CC1CC1)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001716191148 1180090463 /nfs/dbraw/zinc/09/04/63/1180090463.db2.gz AOLAXMOERQHVKT-BBRMVZONSA-N 2 0 279.428 1.367 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC1CCC1 ZINC001716294250 1180146401 /nfs/dbraw/zinc/14/64/01/1180146401.db2.gz SIXCFELFCWHROO-CWDCEQMOSA-N 2 0 293.455 1.921 10 0 CDAERP C[C@H](C[NH2+]CCC(C)(C)C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001716410465 1180191887 /nfs/dbraw/zinc/19/18/87/1180191887.db2.gz XMHAZDIFGOEVNQ-CYBMUJFWSA-N 2 0 283.460 1.859 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CCF ZINC001716521729 1180265808 /nfs/dbraw/zinc/26/58/08/1180265808.db2.gz LLPMSIYTAIDOFI-UONOGXRCSA-N 2 0 287.423 1.562 10 0 CDAERP CN(CCC[NH2+]CC1CC1)C(=O)C1CC[NH+](C)CC1 ZINC001716565154 1180286610 /nfs/dbraw/zinc/28/66/10/1180286610.db2.gz XPQMSCKHCQHBKP-UHFFFAOYSA-N 2 0 267.417 1.176 10 0 CDAERP CCCC[NH2+][C@@H](C)[C@H](C)NC(=O)CCc1c[nH]cn1 ZINC001717413509 1180659897 /nfs/dbraw/zinc/65/98/97/1180659897.db2.gz TVYPFUPZXCNWKR-RYUDHWBXSA-N 2 0 266.389 1.625 10 0 CDAERP CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001717732127 1180814622 /nfs/dbraw/zinc/81/46/22/1180814622.db2.gz VZJZPEYJPIWRPK-AWEZNQCLSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001717754191 1180830483 /nfs/dbraw/zinc/83/04/83/1180830483.db2.gz LGXOVZUOQYKZII-CABCVRRESA-N 2 0 283.460 1.811 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]CCCCCF)CC2)C1 ZINC001723589526 1181590301 /nfs/dbraw/zinc/59/03/01/1181590301.db2.gz FKFYQJSQWVWBCV-ZDUSSCGKSA-N 2 0 285.407 1.316 10 0 CDAERP CC[NH2+]C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001724610034 1181704610 /nfs/dbraw/zinc/70/46/10/1181704610.db2.gz DWBYNJSWJGBXGK-KBPBESRZSA-N 2 0 269.433 1.422 10 0 CDAERP CC(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001725593835 1182065540 /nfs/dbraw/zinc/06/55/40/1182065540.db2.gz ONCWVUAHTOYNEI-ZIAGYGMSSA-N 2 0 269.433 1.562 10 0 CDAERP CCCC[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001731232765 1182263442 /nfs/dbraw/zinc/26/34/42/1182263442.db2.gz UBVQHKXUNCZEIT-CYBMUJFWSA-N 2 0 255.406 1.319 10 0 CDAERP Cc1ncccc1C[N@@H+](C)CCCNC(=O)CC[NH+](C)C ZINC001731262360 1182281292 /nfs/dbraw/zinc/28/12/92/1182281292.db2.gz LQSNATWHCDCDOJ-UHFFFAOYSA-N 2 0 292.427 1.280 10 0 CDAERP C[N@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)CCC1CC1 ZINC001731278221 1182291672 /nfs/dbraw/zinc/29/16/72/1182291672.db2.gz QIXZDMNEOXYTHN-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)C[NH2+][C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001731631971 1182490976 /nfs/dbraw/zinc/49/09/76/1182490976.db2.gz AYNGNSPBQAMMFM-OLZOCXBDSA-N 2 0 255.406 1.079 10 0 CDAERP CN(CC[NH2+]C/C=C/Cl)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001731921300 1182680494 /nfs/dbraw/zinc/68/04/94/1182680494.db2.gz BKGMHOXLNUEBAM-FLUIGGAXSA-N 2 0 287.835 1.661 10 0 CDAERP Cc1nc(C)c(C[NH2+]CCN(C)C(=O)CCC[NH+](C)C)o1 ZINC001731947786 1182693954 /nfs/dbraw/zinc/69/39/54/1182693954.db2.gz LWSMLAOPEHWLPD-UHFFFAOYSA-N 2 0 296.415 1.181 10 0 CDAERP CC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001732049728 1182741024 /nfs/dbraw/zinc/74/10/24/1182741024.db2.gz ALLBSHQOLAUJQX-UONOGXRCSA-N 2 0 267.417 1.319 10 0 CDAERP CCC[NH2+][C@H](CC)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001732220290 1182866063 /nfs/dbraw/zinc/86/60/63/1182866063.db2.gz FBXBRJLAEMPFFF-ZIAGYGMSSA-N 2 0 269.433 1.755 10 0 CDAERP C[C@@H](C[NH2+]CCC1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001732420968 1182957058 /nfs/dbraw/zinc/95/70/58/1182957058.db2.gz MIDBJSDRJABTTR-GZBFAFLISA-N 2 0 281.444 1.563 10 0 CDAERP O=C(N[C@@H]1CCC[C@H]1C[NH2+]CCCF)C12CC[NH+](CC1)C2 ZINC001732632727 1183056788 /nfs/dbraw/zinc/05/67/88/1183056788.db2.gz YTRZAIWTIIWHRH-UONOGXRCSA-N 2 0 297.418 1.316 10 0 CDAERP COCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001732734509 1183103113 /nfs/dbraw/zinc/10/31/13/1183103113.db2.gz RLZDTEYHXBUNNN-LSDHHAIUSA-N 2 0 299.459 1.380 10 0 CDAERP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+]C/C=C\Cl)CC[N@@H+]1C ZINC001732853060 1183159991 /nfs/dbraw/zinc/15/99/91/1183159991.db2.gz OWVIGFAYKCMOCR-TUCCOANZSA-N 2 0 285.819 1.341 10 0 CDAERP CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001732908958 1183181119 /nfs/dbraw/zinc/18/11/19/1183181119.db2.gz JJDXOZYEZGXORG-OVNWPICBSA-N 2 0 279.428 1.675 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001732977757 1183215208 /nfs/dbraw/zinc/21/52/08/1183215208.db2.gz HMKKCAZFMWTNGS-ZIAGYGMSSA-N 2 0 269.433 1.469 10 0 CDAERP CCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001733039322 1183256282 /nfs/dbraw/zinc/25/62/82/1183256282.db2.gz REPMBCUMEUKUDH-GXTWGEPZSA-N 2 0 267.417 1.175 10 0 CDAERP C[C@H](C[N@H+](C)CCCCCF)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001733065196 1183273928 /nfs/dbraw/zinc/27/39/28/1183273928.db2.gz AYVNVUOVNBXCRH-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP CN(CCC[NH2+]CC1CC1)C(=O)C12CCC[NH+](CCC1)C2 ZINC001733106961 1183293138 /nfs/dbraw/zinc/29/31/38/1183293138.db2.gz MBVSCQJYJYTZFW-UHFFFAOYSA-N 2 0 293.455 1.711 10 0 CDAERP CC[NH2+]CCCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001733118689 1183296834 /nfs/dbraw/zinc/29/68/34/1183296834.db2.gz SGJNWXXGSWORLT-UHFFFAOYSA-N 2 0 255.406 1.319 10 0 CDAERP C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C[NH2+]CCF ZINC001733555503 1183466021 /nfs/dbraw/zinc/46/60/21/1183466021.db2.gz CTMAPONPNKEZRU-LSDHHAIUSA-N 2 0 299.434 1.372 10 0 CDAERP CC(C)OCCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001734063682 1183643832 /nfs/dbraw/zinc/64/38/32/1183643832.db2.gz BCSASEORMKJUPE-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP CC[NH+]1CC([C@@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001734116664 1183665723 /nfs/dbraw/zinc/66/57/23/1183665723.db2.gz HQWASCWNUBONSJ-OCCSQVGLSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@@H](CCC[NH2+]CCCF)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001734234313 1183700712 /nfs/dbraw/zinc/70/07/12/1183700712.db2.gz QBGSYLXNKHMCBK-DZGCQCFKSA-N 2 0 299.434 1.562 10 0 CDAERP CC(C)[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001734321894 1183729543 /nfs/dbraw/zinc/72/95/43/1183729543.db2.gz BGTWBDNOARHZKQ-KGLIPLIRSA-N 2 0 269.433 1.704 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]CCCF)C(C)(C)C2)CC[N@@H+]1C ZINC001734498602 1183801096 /nfs/dbraw/zinc/80/10/96/1183801096.db2.gz ZEQCDCYZMKXIGP-MCIONIFRSA-N 2 0 299.434 1.513 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001691706467 1164426123 /nfs/dbraw/zinc/42/61/23/1164426123.db2.gz XXYIMBIOGKSCDT-APIJFGDWSA-N 2 0 281.444 1.611 10 0 CDAERP C[NH+](C)CCOCC[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000926252678 754669512 /nfs/dbraw/zinc/66/95/12/754669512.db2.gz GBXVLTXWWAEXPD-UHFFFAOYSA-N 2 0 270.417 1.502 10 0 CDAERP CN(CC[NH+]1CCCCC1)C(=O)C=C1CC[NH2+]CC1 ZINC000852897007 754913286 /nfs/dbraw/zinc/91/32/86/754913286.db2.gz LGRHAYZFYDCWAD-UHFFFAOYSA-N 2 0 265.401 1.241 10 0 CDAERP C[C@H](c1c(F)cccc1F)N1CC[NH2+]CC[NH2+]CC1 ZINC000923461159 755330967 /nfs/dbraw/zinc/33/09/67/755330967.db2.gz MTPPGIVCIJSHQB-LLVKDONJSA-N 2 0 269.339 1.521 10 0 CDAERP C[C@@H]1CCC[N@H+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)[C@H]1CC[NH3+] ZINC000724591386 753866152 /nfs/dbraw/zinc/86/61/52/753866152.db2.gz OIRAXVKPEAQIRP-MRLBHPIUSA-N 2 0 268.401 1.240 10 0 CDAERP CC1(C)O[C@@H]2C[C@@H]([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)C[C@@H]2O1 ZINC000922870188 753883587 /nfs/dbraw/zinc/88/35/87/753883587.db2.gz PBEMWWUEGCODJE-YYFQZIEXSA-N 2 0 280.412 1.885 10 0 CDAERP Cc1csc([C@@H]2CC[N@H+](C[C@@H]3CC[NH2+]C3)C2)n1 ZINC000872147349 753883606 /nfs/dbraw/zinc/88/36/06/753883606.db2.gz HXHXAYSOEDACBJ-VXGBXAGGSA-N 2 0 251.399 1.850 10 0 CDAERP CO[C@H](CC[NH2+][C@@H]1CC[NH2+]C1(C)C)C(F)(F)F ZINC000925647171 753944303 /nfs/dbraw/zinc/94/43/03/753944303.db2.gz ZQTJEDBXIFGKOU-RKDXNWHRSA-N 2 0 254.296 1.684 10 0 CDAERP CC[C@H]([NH2+]C[C@H]1CCCN1CCCO)[C@H]1CCCOC1 ZINC000872075155 753946139 /nfs/dbraw/zinc/94/61/39/753946139.db2.gz OYDMBIZHMZQBQW-XHSDSOJGSA-N 2 0 284.444 1.628 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)/C=C/[C@@H]1CCC[NH2+]C1)C2 ZINC000872263519 753965501 /nfs/dbraw/zinc/96/55/01/753965501.db2.gz FZLJGECOWZKDDE-QYWWXOJHSA-N 2 0 277.412 1.000 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCc2cccc(C(N)=O)c2)C1 ZINC000925592834 754024563 /nfs/dbraw/zinc/02/45/63/754024563.db2.gz JGKWNNCTLUMNHT-GJZGRUSLSA-N 2 0 289.423 1.824 10 0 CDAERP CCC[N@H+](CC)CCN[C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000262038474 754053843 /nfs/dbraw/zinc/05/38/43/754053843.db2.gz YGIMORGJEOSOFS-BZUAXINKSA-N 2 0 283.460 1.465 10 0 CDAERP COC(CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)OC ZINC000851861792 754054538 /nfs/dbraw/zinc/05/45/38/754054538.db2.gz SSPADWFLYUBJCW-UKRRQHHQSA-N 2 0 282.428 1.944 10 0 CDAERP CC(C)OCC[C@H](O)CN[C@H]1CC[NH2+]C12CCC2 ZINC000923398081 754071780 /nfs/dbraw/zinc/07/17/80/754071780.db2.gz HAJVGPAWOOZBKC-STQMWFEESA-N 2 0 256.390 1.037 10 0 CDAERP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)C1(O)CCCC1)C2 ZINC000930602516 754096720 /nfs/dbraw/zinc/09/67/20/754096720.db2.gz VTMMOLASKQZVPH-HUUCEWRRSA-N 2 0 282.428 1.070 10 0 CDAERP C[C@H](C(=O)Nc1ncccn1)[N@H+](C)CCCCCC[NH3+] ZINC000872155268 754137911 /nfs/dbraw/zinc/13/79/11/754137911.db2.gz PUETWRYDUCAIBP-GFCCVEGCSA-N 2 0 279.388 1.255 10 0 CDAERP Cn1ccc(CC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)n1 ZINC000925638620 754142249 /nfs/dbraw/zinc/14/22/49/754142249.db2.gz DPFCREHCWQJDNH-CVEARBPZSA-N 2 0 276.428 1.721 10 0 CDAERP C(C[NH2+][C@H]1CCOC12CCOCC2)C[NH+]1CCCCC1 ZINC000924583388 754142986 /nfs/dbraw/zinc/14/29/86/754142986.db2.gz YWNZRYWRRCXYJZ-HNNXBMFYSA-N 2 0 282.428 1.790 10 0 CDAERP C[C@H]1OC[C@@H]([NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)[C@H]1C ZINC000925439063 754157843 /nfs/dbraw/zinc/15/78/43/754157843.db2.gz HXEWEEYPKWNHKE-IBEHDNSVSA-N 2 0 284.444 1.889 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC000925627328 754170818 /nfs/dbraw/zinc/17/08/18/754170818.db2.gz BKRKCSWTXRYALW-VXGBXAGGSA-N 2 0 253.390 1.008 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000870901315 754250720 /nfs/dbraw/zinc/25/07/20/754250720.db2.gz SOIMAEBAKRBYLU-OGHNNQOOSA-N 2 0 291.439 1.637 10 0 CDAERP [NH3+][C@@H]1CN(CC[C@@H]2CCOC2)CC[C@@H]1C(F)(F)F ZINC000717155455 754288647 /nfs/dbraw/zinc/28/86/47/754288647.db2.gz NRZSEYVDYSZAMI-OUAUKWLOSA-N 2 0 266.307 1.625 10 0 CDAERP C[N@H+](CCCCCC[NH3+])[C@H]1CCN(C2CCOCC2)C1=O ZINC000872155817 754309861 /nfs/dbraw/zinc/30/98/61/754309861.db2.gz WQKHBVOIXZPYGP-HNNXBMFYSA-N 2 0 297.443 1.217 10 0 CDAERP CC(C)(CNC1=[NH+]CCCCN1)C[NH+]1CCCC1 ZINC000849216282 754326548 /nfs/dbraw/zinc/32/65/48/754326548.db2.gz CTQCDHMNARTCLD-UHFFFAOYSA-N 2 0 252.406 1.437 10 0 CDAERP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC000925827475 754353077 /nfs/dbraw/zinc/35/30/77/754353077.db2.gz UHERFXDETJMQTG-VXGBXAGGSA-N 2 0 256.390 1.024 10 0 CDAERP C[C@H]1[C@@H](NC(=O)N(C)CC[NH+]2CCCCC2)CC[N@@H+]1C ZINC000925341408 754366340 /nfs/dbraw/zinc/36/63/40/754366340.db2.gz GYALBLANSIVCKQ-KBPBESRZSA-N 2 0 282.432 1.206 10 0 CDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H]2CCC=CO2)CC1 ZINC000193903359 754383252 /nfs/dbraw/zinc/38/32/52/754383252.db2.gz UUNNPPNLTFXKMK-HOCLYGCPSA-N 2 0 282.428 1.704 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1)C[NH+](C)C ZINC000723639653 754414827 /nfs/dbraw/zinc/41/48/27/754414827.db2.gz SYPFXZWCFVTTFT-LXTVHRRPSA-N 2 0 254.418 1.979 10 0 CDAERP Cn1cc(C[N@@H+]2CC[C@H](CC[NH3+])C2)c(Br)n1 ZINC000714086921 754423634 /nfs/dbraw/zinc/42/36/34/754423634.db2.gz NJGQXQWIIJLKQQ-VIFPVBQESA-N 2 0 287.205 1.353 10 0 CDAERP Cc1nccn1-c1ccc(-c2noc(CC3([NH3+])CC3)n2)cn1 ZINC000854140107 754444976 /nfs/dbraw/zinc/44/49/76/754444976.db2.gz ZHUJQPGIYSHWLX-UHFFFAOYSA-N 2 0 296.334 1.660 10 0 CDAERP CC[C@@H]1COC[C@@H]1[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000926687212 754456769 /nfs/dbraw/zinc/45/67/69/754456769.db2.gz WEQIMSGZYKWENR-ZNMIVQPWSA-N 2 0 271.449 1.273 10 0 CDAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC[NH2+]CC1CC1 ZINC000717196286 754470811 /nfs/dbraw/zinc/47/08/11/754470811.db2.gz JQURQMGXSHAESK-GXTWGEPZSA-N 2 0 265.401 1.071 10 0 CDAERP CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)C1 ZINC000872143063 754488024 /nfs/dbraw/zinc/48/80/24/754488024.db2.gz KKKAKLGJGYPDDT-ZQDZILKHSA-N 2 0 252.402 1.733 10 0 CDAERP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)CC(C)(C)O)CC1 ZINC000872198959 754508538 /nfs/dbraw/zinc/50/85/38/754508538.db2.gz FEJCIKXSXPCKJF-AWEZNQCLSA-N 2 0 272.433 1.220 10 0 CDAERP CC(C)(CNC(=[NH2+])NC[C@@H]1CCCO1)C[NH+]1CCCC1 ZINC000849021755 754787159 /nfs/dbraw/zinc/78/71/59/754787159.db2.gz GFLFYNWHVHYSKU-ZDUSSCGKSA-N 2 0 282.432 1.401 10 0 CDAERP Cc1cc(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)nc(N)[nH+]1 ZINC000390765762 754802629 /nfs/dbraw/zinc/80/26/29/754802629.db2.gz HUOSQNKYYLJUSC-HNNXBMFYSA-N 2 0 297.406 1.696 10 0 CDAERP C[NH+]1CCC2(CCC[N@H+](CCO[C@H]3CCOC3)C2)CC1 ZINC000930310071 754803668 /nfs/dbraw/zinc/80/36/68/754803668.db2.gz RJJMOUDUMIYJRT-HNNXBMFYSA-N 2 0 282.428 1.600 10 0 CDAERP CCOC(=O)N1CC[C@H]([NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000925644122 754825839 /nfs/dbraw/zinc/82/58/39/754825839.db2.gz YBTJHXJAPXCKHV-CRWXNKLISA-N 2 0 295.427 1.583 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000713051733 754831262 /nfs/dbraw/zinc/83/12/62/754831262.db2.gz PFJLDLGEDJSZOU-OCCSQVGLSA-N 2 0 281.444 1.596 10 0 CDAERP CC1(C)CO[C@@H](C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000708330783 754854109 /nfs/dbraw/zinc/85/41/09/754854109.db2.gz KNCFSMRJBGCNNI-YUELXQCFSA-N 2 0 252.402 1.733 10 0 CDAERP C[NH+](C)C[C@@H]1CN(C(=S)NC2CCC2)C[C@H]1C[NH+](C)C ZINC000865244898 754857520 /nfs/dbraw/zinc/85/75/20/754857520.db2.gz FHBNIOHCXRYAGF-CHWSQXEVSA-N 2 0 298.500 1.085 10 0 CDAERP CCO[C@H]1C[C@@]([NH3+])(C(=O)N2CCC([NH+](C)C)CC2)C1(C)C ZINC000134024777 754874558 /nfs/dbraw/zinc/87/45/58/754874558.db2.gz WESVCYIVIAIHFV-XJKSGUPXSA-N 2 0 297.443 1.072 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000852880948 754914704 /nfs/dbraw/zinc/91/47/04/754914704.db2.gz GSJCFRKDOXMBSI-CVEARBPZSA-N 2 0 291.439 1.534 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CCN(CC(=O)NCC2CCC2)C1 ZINC000866707834 754916222 /nfs/dbraw/zinc/91/62/22/754916222.db2.gz XCNRFVGFVNFLHZ-INIZCTEOSA-N 2 0 281.444 1.600 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000925808120 754952109 /nfs/dbraw/zinc/95/21/09/754952109.db2.gz YBXNBJLYVKQQFP-AXTSPUMRSA-N 2 0 254.296 1.812 10 0 CDAERP C[C@H]1C[N@H+](CCCN[C@@H]2CC[NH2+]C23CCC3)CCCO1 ZINC000925653340 754955248 /nfs/dbraw/zinc/95/52/48/754955248.db2.gz XEZRAYGTJWJQLC-LSDHHAIUSA-N 2 0 281.444 1.362 10 0 CDAERP CCCCCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+](CC)C1 ZINC000118317956 754957328 /nfs/dbraw/zinc/95/73/28/754957328.db2.gz BNDVZQAUMXZPHU-OAHLLOKOSA-N 2 0 283.460 1.957 10 0 CDAERP COC(=O)CC1(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000923492289 754972217 /nfs/dbraw/zinc/97/22/17/754972217.db2.gz BIZIZYIWAHEQGV-NEPJUHHUSA-N 2 0 254.374 1.246 10 0 CDAERP c1ccc2cc(CN3CC[NH2+]CC[NH2+]CC3)ccc2c1 ZINC000923461831 754998663 /nfs/dbraw/zinc/99/86/63/754998663.db2.gz XJJFTCORFPFLFN-UHFFFAOYSA-N 2 0 269.392 1.835 10 0 CDAERP O=C(CCC12CC(C1)C[NH2+]2)NC1CC([NH+]2CCCCC2)C1 ZINC000870927026 755025312 /nfs/dbraw/zinc/02/53/12/755025312.db2.gz ROGUFBPFAWDFHA-UHFFFAOYSA-N 2 0 291.439 1.652 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCC1(F)CCC1 ZINC000849028276 755103548 /nfs/dbraw/zinc/10/35/48/755103548.db2.gz GJFPWXKNHCDUTB-LBPRGKRZSA-N 2 0 270.396 1.867 10 0 CDAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CCOC[C@@H]1CCCO1)CC2 ZINC000923449960 755227623 /nfs/dbraw/zinc/22/76/23/755227623.db2.gz RJEOQTNKSINWJF-LSDHHAIUSA-N 2 0 298.427 1.012 10 0 CDAERP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1 ZINC000925849057 755233142 /nfs/dbraw/zinc/23/31/42/755233142.db2.gz HABMQOKSSCJDJO-MGPQQGTHSA-N 2 0 296.411 1.219 10 0 CDAERP C[C@]1(C(F)(F)F)CN(CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000712724690 755304430 /nfs/dbraw/zinc/30/44/30/755304430.db2.gz IROVTGXWYPISQD-WDEREUQCSA-N 2 0 266.307 1.639 10 0 CDAERP CC[C@@H](C[C@](C)(O)CC)[NH2+]CCCN1CC[NH+](CC)CC1 ZINC000924657192 755327489 /nfs/dbraw/zinc/32/74/89/755327489.db2.gz GSGITJQLAVABIV-DLBZAZTESA-N 2 0 299.503 1.933 10 0 CDAERP CCCN(CC[NH+](CC)CC)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000925333954 755334380 /nfs/dbraw/zinc/33/43/80/755334380.db2.gz YKYGQKOILKDLBK-CABCVRRESA-N 2 0 298.475 1.842 10 0 CDAERP c1cc(NCC[NH+]2CCSCC2)c(C2CC2)c[nH+]1 ZINC000872451829 755365680 /nfs/dbraw/zinc/36/56/80/755365680.db2.gz APCMISZQWNNGSW-UHFFFAOYSA-N 2 0 263.410 1.842 10 0 CDAERP O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923313046 755368367 /nfs/dbraw/zinc/36/83/67/755368367.db2.gz CDRVQAXLEKQFGI-ZKXZWOTCSA-N 2 0 277.412 1.260 10 0 CDAERP CC[C@H]1CCN(C(=[NH2+])NC[C@@H](C)C[NH+]2CCCC2)C1 ZINC000864454170 755407449 /nfs/dbraw/zinc/40/74/49/755407449.db2.gz IINDEMALQHEPSX-KGLIPLIRSA-N 2 0 266.433 1.975 10 0 CDAERP C1C[C@H]([C@@H]2COCCN2)[C@@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000261917089 755427796 /nfs/dbraw/zinc/42/77/96/755427796.db2.gz JQYQCPXMEIWUCP-NRKLIOEPSA-N 3 0 293.455 1.360 10 0 CDAERP COC(=O)[C@]12C[C@H]1CCC[N@@H+]2CC[C@H]1CCC[NH2+]C1 ZINC000923552664 755462988 /nfs/dbraw/zinc/46/29/88/755462988.db2.gz XZOCNROTFHCFPH-NFAWXSAZSA-N 2 0 266.385 1.404 10 0 CDAERP CC[C@H](CNC(=[NH2+])NC1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000066242879 755523951 /nfs/dbraw/zinc/52/39/51/755523951.db2.gz KBIADMXXYNJFIG-MRXNPFEDSA-N 2 0 286.423 1.890 10 0 CDAERP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)c2ccc(F)cn2)C1 ZINC000819366357 755591928 /nfs/dbraw/zinc/59/19/28/755591928.db2.gz OOAHVFPHRRZDJX-IUODEOHRSA-N 2 0 281.375 1.576 10 0 CDAERP CC[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)[C@H]1CCCOC1 ZINC000872020508 755640848 /nfs/dbraw/zinc/64/08/48/755640848.db2.gz HTXLAXCVLIKRJD-DOTOQJQBSA-N 2 0 297.487 1.807 10 0 CDAERP FC(F)OCC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000851794707 755649212 /nfs/dbraw/zinc/64/92/12/755649212.db2.gz KAMQRYXDBBGZOL-UHFFFAOYSA-N 2 0 292.370 1.802 10 0 CDAERP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000872290367 755694499 /nfs/dbraw/zinc/69/44/99/755694499.db2.gz ZCTILAGGADLBCW-QKPAOTATSA-N 2 0 293.455 1.885 10 0 CDAERP C[C@@H](N[C@@H](C)[C@H](O)c1ccc2c(c1)OCO2)[C@@H]1CCC[NH2+]1 ZINC000817927085 755738267 /nfs/dbraw/zinc/73/82/67/755738267.db2.gz FDSCISQTGKQJCZ-IZBNFRDHSA-N 2 0 292.379 1.567 10 0 CDAERP C[NH+]1CCN(CCC[NH2+][C@H](C2CC2)C2CCOCC2)CC1 ZINC000924578789 755763337 /nfs/dbraw/zinc/76/33/37/755763337.db2.gz QYVDCCSACAKEPX-QGZVFWFLSA-N 2 0 295.471 1.419 10 0 CDAERP c1c(CCN[C@@H]2CC[NH2+]C23CCC3)nc2n1CCCC2 ZINC000925538950 755804898 /nfs/dbraw/zinc/80/48/98/755804898.db2.gz WWJDWHVIZSHJQO-CQSZACIVSA-N 2 0 274.412 1.636 10 0 CDAERP [NH3+]C[C@H]1Cc2ccccc2N(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000872311657 755824722 /nfs/dbraw/zinc/82/47/22/755824722.db2.gz VZDVVHDFIIILBS-CVGURMSBSA-N 2 0 285.391 1.278 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)c1cccs1 ZINC000713351853 755826195 /nfs/dbraw/zinc/82/61/95/755826195.db2.gz GTWUSYKCCBGQAW-YXMPFFBPSA-N 2 0 293.436 1.594 10 0 CDAERP c1csc([C@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)n1 ZINC000710438358 755853426 /nfs/dbraw/zinc/85/34/26/755853426.db2.gz AJRDFMCDOUWBBA-LBPRGKRZSA-N 2 0 251.399 1.932 10 0 CDAERP C[NH+](C)C1(CNC(=O)[C@@H]2C[NH2+]CC2(C)C)CCCC1 ZINC000711279857 755861745 /nfs/dbraw/zinc/86/17/45/755861745.db2.gz YTIZTNNLMRIWJI-LBPRGKRZSA-N 2 0 267.417 1.223 10 0 CDAERP CC[C@@H](C[C@](C)(O)CC)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000926356366 755895005 /nfs/dbraw/zinc/89/50/05/755895005.db2.gz HPLUFKAWDBHQHY-DOTOQJQBSA-N 2 0 299.503 1.932 10 0 CDAERP CC[NH+](CC)[C@H](C)CN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925663606 755931697 /nfs/dbraw/zinc/93/16/97/755931697.db2.gz UZGOVFUKJPLKJT-ZIAGYGMSSA-N 2 0 253.434 1.981 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000713044631 755998851 /nfs/dbraw/zinc/99/88/51/755998851.db2.gz REAOGZBSEISKGD-RYUDHWBXSA-N 2 0 255.406 1.064 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)C(C)(C)[C@@H]([NH3+])C(C)C ZINC000712992768 756028388 /nfs/dbraw/zinc/02/83/88/756028388.db2.gz ZVIUVQCWQYTCLT-ZDUSSCGKSA-N 2 0 271.449 1.796 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CC2(CO1)CCOCC2 ZINC000926800106 756048804 /nfs/dbraw/zinc/04/88/04/756048804.db2.gz YFROKYVDEDJHMI-QGPPMGRFSA-N 2 0 294.439 1.502 10 0 CDAERP CC(C)OC[C@@H](O)C[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714468930 756075938 /nfs/dbraw/zinc/07/59/38/756075938.db2.gz QGHVLWQOBUXZRD-AWEZNQCLSA-N 2 0 272.433 1.469 10 0 CDAERP C([NH2+][C@@H]1CCCCC12CC[NH2+]CC2)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000873231362 756086765 /nfs/dbraw/zinc/08/67/65/756086765.db2.gz MISKCORKHQRQIN-FMKPAKJESA-N 3 0 263.429 1.498 10 0 CDAERP O=C(CCC12CC(C1)C[NH2+]2)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000870879677 756238492 /nfs/dbraw/zinc/23/84/92/756238492.db2.gz HDFODGMRPWMQFY-MFOWVQHXSA-N 2 0 288.395 1.648 10 0 CDAERP CO[C@H](CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C(F)(F)F ZINC000925646205 756298628 /nfs/dbraw/zinc/29/86/28/756298628.db2.gz UGFRJZJKBMJWDO-PYZHKEBXSA-N 2 0 278.318 1.540 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+]Cc2cn(C)nc2Cl)CC1 ZINC000856765737 756301863 /nfs/dbraw/zinc/30/18/63/756301863.db2.gz LYVLTMAVUVGVIO-UHFFFAOYSA-N 2 0 299.850 1.191 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000852860553 756316158 /nfs/dbraw/zinc/31/61/58/756316158.db2.gz GSHQERNKDQYMQN-KGLIPLIRSA-N 2 0 263.385 1.039 10 0 CDAERP [NH3+]C[C@@H]1CN(C[C@H]2CCC[NH2+]C2)C[C@@H]1C(F)(F)F ZINC000872150160 756317106 /nfs/dbraw/zinc/31/71/06/756317106.db2.gz YSDGTMIRHXXIMD-AXFHLTTASA-N 2 0 265.323 1.055 10 0 CDAERP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925684476 756348003 /nfs/dbraw/zinc/34/80/03/756348003.db2.gz BMSDMSMCNSSZQI-CABCVRRESA-N 3 0 265.445 1.983 10 0 CDAERP CCN(CCC[NH+](CC)CC)C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715139150 756359570 /nfs/dbraw/zinc/35/95/70/756359570.db2.gz OAGARNRDNFZERR-RYUDHWBXSA-N 2 0 291.386 1.407 10 0 CDAERP C[C@H]1C[N@H+](CCOCC[NH3+])CC[C@@H](C(F)(F)F)O1 ZINC000872154004 756360212 /nfs/dbraw/zinc/36/02/12/756360212.db2.gz LLXQDYJKZZPPCO-UWVGGRQHSA-N 2 0 270.295 1.003 10 0 CDAERP CC(C)CC[C@@H](O)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000923409244 756361954 /nfs/dbraw/zinc/36/19/54/756361954.db2.gz LGJNTXCFOBRTDO-KFWWJZLASA-N 2 0 254.418 1.715 10 0 CDAERP C[N@@H+]1CC[C@H](NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)[C@@H]2CCC[C@H]21 ZINC000796761394 756363943 /nfs/dbraw/zinc/36/39/43/756363943.db2.gz DXZNYZDYLJNMRM-UHDSXZAQSA-N 3 0 293.455 1.312 10 0 CDAERP C[C@H]([NH2+]CCOCC[NH+](C)C)c1cn2c(n1)CCCC2 ZINC000926256665 756426174 /nfs/dbraw/zinc/42/61/74/756426174.db2.gz XVCANTYIXUPGHL-ZDUSSCGKSA-N 2 0 280.416 1.448 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCC2OCCO2)[C@H](C)C1 ZINC000125017715 756439315 /nfs/dbraw/zinc/43/93/15/756439315.db2.gz RTQWPJVEBHMGAO-OLZOCXBDSA-N 2 0 256.390 1.412 10 0 CDAERP CC[C@H]1CCN(C(=[NH2+])NC[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC000864467683 756471817 /nfs/dbraw/zinc/47/18/17/756471817.db2.gz XEMPVFIDDRUMMZ-KBPBESRZSA-N 2 0 282.432 1.089 10 0 CDAERP CCOC(=O)C1=CC[C@H]([NH2+][C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000863542254 756495889 /nfs/dbraw/zinc/49/58/89/756495889.db2.gz CAKAFIDEULYQNN-RWMBFGLXSA-N 2 0 252.358 1.355 10 0 CDAERP C[NH+](C)CCOCC[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000926254701 756641326 /nfs/dbraw/zinc/64/13/26/756641326.db2.gz NGTSZTAGZWPILX-GJZGRUSLSA-N 2 0 269.433 1.171 10 0 CDAERP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923511112 756679601 /nfs/dbraw/zinc/67/96/01/756679601.db2.gz ZBZVILHVMFTMAM-KBUPBQIOSA-N 2 0 281.444 1.693 10 0 CDAERP CC(C)OCC[C@@H](O)C[N@H+](C)C1(C[NH3+])CCCCC1 ZINC000923421112 756713456 /nfs/dbraw/zinc/71/34/56/756713456.db2.gz FUAWQFKHSYMFOF-CQSZACIVSA-N 2 0 272.433 1.756 10 0 CDAERP CC[C@H](C)NC(=[NH2+])NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000849048785 756720092 /nfs/dbraw/zinc/72/00/92/756720092.db2.gz LBHDLQDBAFQAJK-ZDEQEGDKSA-N 2 0 270.421 1.397 10 0 CDAERP C[C@@H]1CC[C@@H]([NH2+]CCN2CCC([NH3+])CC2)C[C@H]1C ZINC000925809901 756746546 /nfs/dbraw/zinc/74/65/46/756746546.db2.gz CAVYOYVILDUDJI-UMVBOHGHSA-N 2 0 253.434 1.824 10 0 CDAERP CO[C@@H]1COCC[C@H]1C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925680662 756771808 /nfs/dbraw/zinc/77/18/08/756771808.db2.gz KHFVHUWHOSGHAN-QRTUWBSPSA-N 2 0 282.428 1.404 10 0 CDAERP C[C@H]([NH2+]CCC[NH3+])c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000817938573 756811755 /nfs/dbraw/zinc/81/17/55/756811755.db2.gz NKVVODZHGYBPCG-VIFPVBQESA-N 2 0 292.351 1.682 10 0 CDAERP COC[C@@H](O)C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923509919 756814930 /nfs/dbraw/zinc/81/49/30/756814930.db2.gz ULHVNRCVBPSKEG-ZFWWWQNUSA-N 2 0 270.417 1.095 10 0 CDAERP C[C@@H]1CN(C(=[NH2+])NCCCCC[NH+]2CCCC2)CCO1 ZINC000849033759 756822101 /nfs/dbraw/zinc/82/21/01/756822101.db2.gz YJASLOHOKDTMRC-CQSZACIVSA-N 2 0 282.432 1.498 10 0 CDAERP [NH3+]CCCCCC[N@@H+]1CCNC(=O)CC12CCC2 ZINC000872157641 756841153 /nfs/dbraw/zinc/84/11/53/756841153.db2.gz OZEVJGVQLRCKIP-UHFFFAOYSA-N 2 0 253.390 1.250 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCOC23CCOCC3)C1 ZINC000925219584 756842200 /nfs/dbraw/zinc/84/22/00/756842200.db2.gz DSSUSDQKZAGNNG-KFWWJZLASA-N 2 0 282.428 1.787 10 0 CDAERP COc1ccccc1[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000817892058 756849261 /nfs/dbraw/zinc/84/92/61/756849261.db2.gz JMOBHFKIARFDDF-VHDGCEQUSA-N 2 0 278.396 1.836 10 0 CDAERP Cc1noc(C)c1CONC(=[NH2+])[C@H]1CN(C(C)C)CCO1 ZINC000779650326 756856538 /nfs/dbraw/zinc/85/65/38/756856538.db2.gz MLYZKFJFUDJVMM-CYBMUJFWSA-N 2 0 296.371 1.399 10 0 CDAERP C([NH2+][C@H]1CCCCC12CC[NH2+]CC2)C12CC(C1)C[NH2+]2 ZINC000873231053 756863503 /nfs/dbraw/zinc/86/35/03/756863503.db2.gz FTBPAVJLWVLRAN-BBBYJDLNSA-N 3 0 263.429 1.640 10 0 CDAERP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CCNC(=O)CC2)CC1 ZINC000715199890 756875139 /nfs/dbraw/zinc/87/51/39/756875139.db2.gz NKVVFMIRRBVQHX-OPFPJEHXSA-N 2 0 267.417 1.508 10 0 CDAERP C[NH+](C)CCNC(=S)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000863209555 756875470 /nfs/dbraw/zinc/87/54/70/756875470.db2.gz MHCDTKTTWLPRSQ-CQSZACIVSA-N 2 0 298.500 1.419 10 0 CDAERP CN1CC[C@@](O)(C[NH2+]Cc2cncc3ccccc32)C1 ZINC000702560917 756881095 /nfs/dbraw/zinc/88/10/95/756881095.db2.gz GRSCDUMXVREOIM-MRXNPFEDSA-N 2 0 271.364 1.391 10 0 CDAERP O=C1CCCN1CCC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925515099 756884138 /nfs/dbraw/zinc/88/41/38/756884138.db2.gz PJPFIXQWLGDIOW-CVEARBPZSA-N 2 0 293.455 1.757 10 0 CDAERP C[C@H]([NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1)C1CC1 ZINC000925807259 756969624 /nfs/dbraw/zinc/96/96/24/756969624.db2.gz DUDDDAKKJPWKDK-AWEZNQCLSA-N 2 0 273.424 1.980 10 0 CDAERP CC(C)C[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923501595 757009446 /nfs/dbraw/zinc/00/94/46/757009446.db2.gz VWYUESGGQGOKDA-ILXRZTDVSA-N 2 0 283.460 1.796 10 0 CDAERP COCCCN(C)CC[NH2+][C@@H](C1CCC1)[C@H]1CCOC1 ZINC000925144795 757018920 /nfs/dbraw/zinc/01/89/20/757018920.db2.gz QNLWGBVIOQKANZ-HOTGVXAUSA-N 2 0 284.444 1.750 10 0 CDAERP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C=C1CC[NH2+]CC1 ZINC000852792767 757027853 /nfs/dbraw/zinc/02/78/53/757027853.db2.gz BYKMGTJWKRXBAG-WCQYABFASA-N 2 0 251.374 1.025 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@H](NCCC[NH+]2CCC(O)CC2)C1 ZINC000925500034 757077240 /nfs/dbraw/zinc/07/72/40/757077240.db2.gz CEWWVGDMFFCLIF-KBPBESRZSA-N 2 0 283.460 1.329 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)CCC23CC(C2)C[NH2+]3)C1 ZINC000870895225 757083935 /nfs/dbraw/zinc/08/39/35/757083935.db2.gz ZFKQKCRMCYNGOF-NPCAHTBFSA-N 2 0 279.428 1.461 10 0 CDAERP C[NH+](C)CCOc1ccccc1C[NH2+]C[C@@H](O)C1CC1 ZINC000818984332 757093971 /nfs/dbraw/zinc/09/39/71/757093971.db2.gz DYGMSTWCTJEFAV-OAHLLOKOSA-N 2 0 278.396 1.488 10 0 CDAERP CCc1noc([C@H](C)[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000923502237 757099165 /nfs/dbraw/zinc/09/91/65/757099165.db2.gz YFRDMJJQHCPEBR-VWYCJHECSA-N 2 0 252.362 1.610 10 0 CDAERP Cc1cc([C@@H]([NH3+])CC(=O)NC[C@@H](C)C[NH3+])cc(Cl)n1 ZINC000834340792 757189921 /nfs/dbraw/zinc/18/99/21/757189921.db2.gz DMXNSBNGOFDOPL-KWQFWETISA-N 2 0 284.791 1.144 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2[C@@H]3CC[C@H]2C[NH+](C)CC3)CC[N@@H+]1C ZINC000923268238 757279527 /nfs/dbraw/zinc/27/95/27/757279527.db2.gz NZCWQQJWTMEDPM-XQLPTFJDSA-N 2 0 279.428 1.412 10 0 CDAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925879326 757329204 /nfs/dbraw/zinc/32/92/04/757329204.db2.gz BOODGERFRFTJDD-UHTWSYAYSA-N 3 0 262.401 1.627 10 0 CDAERP C[NH+](C)C[C@@H](NC(=O)[C@H]([NH3+])CC1CC1)c1ccccc1 ZINC000312426224 757334604 /nfs/dbraw/zinc/33/46/04/757334604.db2.gz SXFIYJXSMSOGAH-HUUCEWRRSA-N 2 0 275.396 1.533 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000723645745 757375375 /nfs/dbraw/zinc/37/53/75/757375375.db2.gz INTZCAQVESTCFR-KHMAMNHCSA-N 2 0 252.402 1.779 10 0 CDAERP C[NH+](C)C[C@@H]1CN(c2ncncc2Cl)C[C@H]1C[NH+](C)C ZINC000866012111 757382333 /nfs/dbraw/zinc/38/23/33/757382333.db2.gz QNHLQXQVZYNYJD-VXGBXAGGSA-N 2 0 297.834 1.306 10 0 CDAERP O[C@@H](C[NH+]1CCCC1)C[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000852759029 757384410 /nfs/dbraw/zinc/38/44/10/757384410.db2.gz JFHNHNZTPLXKNN-YESZJQIVSA-N 2 0 294.439 1.336 10 0 CDAERP CCN(C(=O)C[NH2+][C@@H](CCC[NH3+])COC)c1ccccc1 ZINC000925814476 757537433 /nfs/dbraw/zinc/53/74/33/757537433.db2.gz LUEOQOQPAJONJV-AWEZNQCLSA-N 2 0 293.411 1.383 10 0 CDAERP Cc1ccc(OCC[N@@H+](C)C[C@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC000923301703 757559573 /nfs/dbraw/zinc/55/95/73/757559573.db2.gz MLHIMXLXHMISPA-MRXNPFEDSA-N 2 0 290.407 1.684 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC1CC[NH+](C)CC1 ZINC000094449189 757804596 /nfs/dbraw/zinc/80/45/96/757804596.db2.gz KMINQGDVYLLSKQ-UKRRQHHQSA-N 2 0 251.418 1.497 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C=C2CC[NH2+]CC2)C1 ZINC000852903408 757811653 /nfs/dbraw/zinc/81/16/53/757811653.db2.gz YXSSWIAWHMBJOM-CYBMUJFWSA-N 2 0 265.401 1.285 10 0 CDAERP CCC[C@H](C(=O)OCC)[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923499057 757867507 /nfs/dbraw/zinc/86/75/07/757867507.db2.gz QPFFDISCGBEUSD-RWMBFGLXSA-N 2 0 256.390 1.635 10 0 CDAERP c1cnc(C2([NH2+]CC[C@H]3CCC[NH2+]C3)CCOCC2)nc1 ZINC000923554114 757893782 /nfs/dbraw/zinc/89/37/82/757893782.db2.gz MYKIEBRMQIMEAN-CQSZACIVSA-N 2 0 290.411 1.462 10 0 CDAERP NC(=O)c1ccc(CC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000866717505 757900187 /nfs/dbraw/zinc/90/01/87/757900187.db2.gz GUALSCVKIGFLGO-HOTGVXAUSA-N 2 0 287.407 1.402 10 0 CDAERP C[NH+](C)C1(CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CCCCCC1 ZINC000870860515 757918882 /nfs/dbraw/zinc/91/88/82/757918882.db2.gz HXUMIVZRZGMTNN-KEYYUXOJSA-N 2 0 293.455 1.885 10 0 CDAERP [NH3+]CC[C@@H]1CC[N@H+](CCOCCOc2ccccc2)C1 ZINC000923485175 757943964 /nfs/dbraw/zinc/94/39/64/757943964.db2.gz GKQLBISJNHQTQV-OAHLLOKOSA-N 2 0 278.396 1.753 10 0 CDAERP C[NH+](C)CCOCC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925648377 758008669 /nfs/dbraw/zinc/00/86/69/758008669.db2.gz ASAIJWICIJFYEO-JKSUJKDBSA-N 3 0 283.460 1.323 10 0 CDAERP CN1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@@H](O)CCC1(O)CCC1 ZINC000931720463 758112171 /nfs/dbraw/zinc/11/21/71/758112171.db2.gz XWOIZUXJAWUISU-ZNMIVQPWSA-N 2 0 282.428 1.211 10 0 CDAERP Cc1cc(NC(=O)CC[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)no1 ZINC000923498307 758205880 /nfs/dbraw/zinc/20/58/80/758205880.db2.gz OAYQIRMTPMHCLT-ZYHUDNBSSA-N 2 0 280.372 1.228 10 0 CDAERP CC1(C)C[NH2+]C[C@@H]1C(=O)NCCC[NH+]1CCCCC1 ZINC000711277693 758248239 /nfs/dbraw/zinc/24/82/39/758248239.db2.gz CCMBNAOHSZPNMF-CYBMUJFWSA-N 2 0 267.417 1.224 10 0 CDAERP c1cc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(C2CC2)c[nH+]1 ZINC000872560019 758294086 /nfs/dbraw/zinc/29/40/86/758294086.db2.gz GWFGIGBLPXICIL-OKILXGFUSA-N 2 0 273.380 1.656 10 0 CDAERP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000925700903 758363202 /nfs/dbraw/zinc/36/32/02/758363202.db2.gz UBEUAWMWYQHPSU-SYQHCUMBSA-N 3 0 251.418 1.611 10 0 CDAERP C[N@H+](CCOc1ccccc1F)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923302007 758414900 /nfs/dbraw/zinc/41/49/00/758414900.db2.gz PARAOUGRHKRIBQ-ZDUSSCGKSA-N 2 0 294.370 1.515 10 0 CDAERP CSCC[C@H](C)[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923315092 758430694 /nfs/dbraw/zinc/43/06/94/758430694.db2.gz FAKAGVHRLDPXAC-RYUDHWBXSA-N 2 0 258.431 1.438 10 0 CDAERP CCCCCC[C@@H](C)NC(=O)CN1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923513424 758458838 /nfs/dbraw/zinc/45/88/38/758458838.db2.gz VXQCFOARKUQFOO-RBSFLKMASA-N 2 0 283.460 1.988 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H](CNC(=[NH2+])N[C@H]2C[C@H]2C)C1 ZINC000864460987 758529758 /nfs/dbraw/zinc/52/97/58/758529758.db2.gz KOAUFSSUAAIRIP-MCIONIFRSA-N 2 0 266.433 1.877 10 0 CDAERP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925609295 758610167 /nfs/dbraw/zinc/61/01/67/758610167.db2.gz RZTHRJYOWTWVPY-HUUCEWRRSA-N 2 0 281.444 1.098 10 0 CDAERP COCCOCC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925565687 758658599 /nfs/dbraw/zinc/65/85/99/758658599.db2.gz WIWAJXAMGOXLGB-GJZGRUSLSA-N 2 0 270.417 1.407 10 0 CDAERP O[C@@H](C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)C(F)(F)F ZINC000923358352 758675585 /nfs/dbraw/zinc/67/55/85/758675585.db2.gz YVLRVAIVHBJOQF-QWRGUYRKSA-N 2 0 266.307 1.231 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ncc(Cl)s1 ZINC000719403374 758774949 /nfs/dbraw/zinc/77/49/49/758774949.db2.gz RSHGXIALCJBASN-MRVPVSSYSA-N 2 0 263.794 1.640 10 0 CDAERP CC(C)(C)NC(=O)[C@@H]1CCCN1CCC[NH2+]C1CC1 ZINC000923433455 758806186 /nfs/dbraw/zinc/80/61/86/758806186.db2.gz SUHCUQOGBYQBGI-ZDUSSCGKSA-N 2 0 267.417 1.508 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1)C(C)C ZINC000846674211 758808797 /nfs/dbraw/zinc/80/87/97/758808797.db2.gz VGAWDIXCTPVRCG-KGLIPLIRSA-N 2 0 267.417 1.364 10 0 CDAERP CO[C@@](C)(CO)C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926661324 758830629 /nfs/dbraw/zinc/83/06/29/758830629.db2.gz JDEDSSUZYMAPAQ-CZUORRHYSA-N 2 0 280.412 1.796 10 0 CDAERP CC1(C)[C@H]([NH2+]CCCN2CCCCC2=O)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925547764 758836175 /nfs/dbraw/zinc/83/61/75/758836175.db2.gz CXXRXPCBTIBFKO-VNQPRFMTSA-N 2 0 293.455 1.755 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001412339701 1166733837 /nfs/dbraw/zinc/73/38/37/1166733837.db2.gz ZPKKRXIWUCIPPW-KGLIPLIRSA-N 2 0 283.460 1.811 10 0 CDAERP C[NH+](C)C1CN(C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C1 ZINC001646068281 1167631695 /nfs/dbraw/zinc/63/16/95/1167631695.db2.gz RQAFRCBPDDJNSB-UONOGXRCSA-N 2 0 274.368 1.279 10 0 CDAERP c1cc(NC2CC[NH+](C[C@H]3CCCO3)CC2)cc[nH+]1 ZINC001120860304 912617877 /nfs/dbraw/zinc/61/78/77/912617877.db2.gz IVUSZTLYKPIKNI-OAHLLOKOSA-N 2 0 261.369 1.559 10 0 CDAERP CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[N@H+](C)CCC ZINC001272331475 912809378 /nfs/dbraw/zinc/80/93/78/912809378.db2.gz HHXNNBOVYRHCKH-KGLIPLIRSA-N 2 0 269.433 1.613 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001266352771 894518864 /nfs/dbraw/zinc/51/88/64/894518864.db2.gz HODFDLPPBOTUTL-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]CC2CCCC2)CC[N@@H+]1C ZINC001266703133 895865300 /nfs/dbraw/zinc/86/53/00/895865300.db2.gz BRULZVJBJRFCNK-UKRRQHHQSA-N 2 0 281.444 1.565 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH2+]CCCF)C1 ZINC001266965174 896458139 /nfs/dbraw/zinc/45/81/39/896458139.db2.gz RGMPVYLKTMABKD-KGLIPLIRSA-N 2 0 287.423 1.562 10 0 CDAERP OCC12CCC(CC1)[N@@H+]2CCCC1CC[NH2+]CC1 ZINC001350635476 897362051 /nfs/dbraw/zinc/36/20/51/897362051.db2.gz CFOMGXAIFANOHQ-UHFFFAOYSA-N 2 0 252.402 1.756 10 0 CDAERP CC(C)(C)NC(=O)CC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405212730 897567765 /nfs/dbraw/zinc/56/77/65/897567765.db2.gz DLZALVSCZLIFNH-WDEREUQCSA-N 2 0 253.390 1.151 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001267634965 899108396 /nfs/dbraw/zinc/10/83/96/899108396.db2.gz XZYYMUOSHCEPES-AWEZNQCLSA-N 2 0 269.433 1.563 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC=C(C)C ZINC001267717355 899365073 /nfs/dbraw/zinc/36/50/73/899365073.db2.gz YOZWNEVPGXQPTN-HOTGVXAUSA-N 2 0 293.455 1.970 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001267748378 899560990 /nfs/dbraw/zinc/56/09/90/899560990.db2.gz XGSWLJFYZRPYKJ-IYKSTZQJSA-N 2 0 281.444 1.875 10 0 CDAERP CS(=O)(=O)CC1(CC[NH2+][C@H]2C[C@@H](N)C23CCC3)CC1 ZINC000692821220 900329037 /nfs/dbraw/zinc/32/90/37/900329037.db2.gz IRFKMRIGXSPMNT-NEPJUHHUSA-N 2 0 286.441 1.061 10 0 CDAERP CCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](CC[C@@H](C)F)C1 ZINC001421374562 900345984 /nfs/dbraw/zinc/34/59/84/900345984.db2.gz RQNBYUFWPYVUMN-ZIAGYGMSSA-N 2 0 287.423 1.609 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CCF)[NH+]1CCCC1 ZINC001268099120 901282803 /nfs/dbraw/zinc/28/28/03/901282803.db2.gz YMEGUCVWYLBXEG-KGLIPLIRSA-N 2 0 287.423 1.513 10 0 CDAERP CO[C@@H](C)C[NH2+]CC[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001268378890 901960898 /nfs/dbraw/zinc/96/08/98/901960898.db2.gz CALMIBZBRDWTMY-KBPBESRZSA-N 2 0 297.443 1.134 10 0 CDAERP C[C@H](CC[NH2+]CC1=CCCCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268422544 902037941 /nfs/dbraw/zinc/03/79/41/902037941.db2.gz FBGICSGSVLUMSS-GDBMZVCRSA-N 2 0 293.455 1.923 10 0 CDAERP CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001268550634 902550825 /nfs/dbraw/zinc/55/08/25/902550825.db2.gz ZIQGGYHUMUIVHW-GJBLVYBDSA-N 2 0 267.417 1.533 10 0 CDAERP CCCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268556511 902555605 /nfs/dbraw/zinc/55/56/05/902555605.db2.gz POEIHQILVYYKAC-AFNCTOJWSA-N 2 0 267.417 1.533 10 0 CDAERP C[NH+](C)CCCC(=O)N1CCC[C@@H]1C[NH2+]C/C=C\Cl ZINC001482061777 902574848 /nfs/dbraw/zinc/57/48/48/902574848.db2.gz WSOHTAZZCIOACA-DMTLFAOVSA-N 2 0 287.835 1.661 10 0 CDAERP CC(C)[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001483762119 914638786 /nfs/dbraw/zinc/63/87/86/914638786.db2.gz MAYAJIPISJIFMW-STQMWFEESA-N 2 0 267.417 1.364 10 0 CDAERP CC(C)OCC[NH2+]C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001268664480 902920850 /nfs/dbraw/zinc/92/08/50/902920850.db2.gz KIBFYXUNPXUXEE-CQSZACIVSA-N 2 0 299.459 1.238 10 0 CDAERP CN(CCC[NH2+]C[C@H]1CCCCO1)C(=O)C[NH+]1CCCC1 ZINC001498656348 902929964 /nfs/dbraw/zinc/92/99/64/902929964.db2.gz YUXIJKXMTBAFIY-OAHLLOKOSA-N 2 0 297.443 1.089 10 0 CDAERP CCC[NH+]1CC(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001268839217 903171913 /nfs/dbraw/zinc/17/19/13/903171913.db2.gz XMBOPRDZDBHPOI-CQSZACIVSA-N 2 0 267.417 1.319 10 0 CDAERP CCCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001269085490 903406145 /nfs/dbraw/zinc/40/61/45/903406145.db2.gz UKVVOHFTIIJFNN-CABCVRRESA-N 2 0 281.444 1.755 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001269199561 903535969 /nfs/dbraw/zinc/53/59/69/903535969.db2.gz KOWUMIPYBNLAHU-IDTUSYRASA-N 2 0 281.444 1.873 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001269442388 903810130 /nfs/dbraw/zinc/81/01/30/903810130.db2.gz DSWAZBQBGCKTTD-UHFFFAOYSA-N 2 0 279.428 1.653 10 0 CDAERP C[C@H](C[NH2+]CC1CC(C)(C)C1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001482266092 904367877 /nfs/dbraw/zinc/36/78/77/904367877.db2.gz KRIKJZKHUDXBSB-UKRRQHHQSA-N 2 0 295.471 1.953 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1CCCC1 ZINC001270448881 904647289 /nfs/dbraw/zinc/64/72/89/904647289.db2.gz HJGQOPDERSHFCA-ZIAGYGMSSA-N 2 0 269.433 1.611 10 0 CDAERP CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001482298512 904758278 /nfs/dbraw/zinc/75/82/78/904758278.db2.gz TXYPGNQONVAKNM-IJLUTSLNSA-N 2 0 264.373 1.360 10 0 CDAERP CC(C)=CC[NH+]1CC[C@@](C)(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001270650577 904884744 /nfs/dbraw/zinc/88/47/44/904884744.db2.gz WMVAFUSCXSKCMR-NVXWUHKLSA-N 2 0 293.455 1.875 10 0 CDAERP CC/C=C/CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001482317917 904966171 /nfs/dbraw/zinc/96/61/71/904966171.db2.gz AYOSMNJODKACSX-MFHOCJEASA-N 2 0 281.444 1.873 10 0 CDAERP CC(C)C[NH2+]C[C@H](C)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482353355 905176274 /nfs/dbraw/zinc/17/62/74/905176274.db2.gz HVHSZHUSRTUSRM-KBPBESRZSA-N 2 0 269.433 1.421 10 0 CDAERP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C[NH2+]CCCF ZINC001271661066 906582071 /nfs/dbraw/zinc/58/20/71/906582071.db2.gz WEYJYNCJGFBENZ-KGLIPLIRSA-N 2 0 299.434 1.372 10 0 CDAERP CC[C@@H](C)C[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C ZINC001482942288 908512778 /nfs/dbraw/zinc/51/27/78/908512778.db2.gz KADFSQQVJLBFMG-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP CC[NH2+]CCN(CC)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001482950421 908536846 /nfs/dbraw/zinc/53/68/46/908536846.db2.gz QNOUBHVJUICHRL-OAHLLOKOSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)C[NH2+]CC1CC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001409272963 909449017 /nfs/dbraw/zinc/44/90/17/909449017.db2.gz RDCIYFBPAFNKGD-UIDBIOKJSA-N 2 0 295.471 1.857 10 0 CDAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CCCF ZINC001483127166 909668074 /nfs/dbraw/zinc/66/80/74/909668074.db2.gz KDQPOXJSDZCPPO-CHWSQXEVSA-N 2 0 273.396 1.313 10 0 CDAERP C[C@@H](C[NH2+]CC1CC(C)C1)NC(=O)C[NH+]1CCCC1 ZINC001483293690 910807326 /nfs/dbraw/zinc/80/73/26/910807326.db2.gz IYLOKRAUQQPIAV-MOKVOYLWSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001483597730 911309275 /nfs/dbraw/zinc/30/92/75/911309275.db2.gz BXRGHYVZWYZRFZ-GOEBONIOSA-N 2 0 295.471 1.859 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001484071630 915390085 /nfs/dbraw/zinc/39/00/85/915390085.db2.gz LWTXDVSYWQULDO-UKRRQHHQSA-N 2 0 285.407 1.411 10 0 CDAERP CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001484100494 915434237 /nfs/dbraw/zinc/43/42/37/915434237.db2.gz NIUBEBRPWGYOQM-CJNGLKHVSA-N 2 0 290.411 1.294 10 0 CDAERP CC(C)CC[NH2+]C1(CNC(=O)CC[NH+](C)C)CCOCC1 ZINC001484187435 915497907 /nfs/dbraw/zinc/49/79/07/915497907.db2.gz KAEBUBGARHGQAA-UHFFFAOYSA-N 2 0 299.459 1.239 10 0 CDAERP CCCC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001484377421 915693795 /nfs/dbraw/zinc/69/37/95/915693795.db2.gz PVRCOVBHQAIZDT-ZBFHGGJFSA-N 2 0 295.471 1.812 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC1CC1 ZINC001484467749 915792693 /nfs/dbraw/zinc/79/26/93/915792693.db2.gz OUYZXCUVIJGFJB-CVEARBPZSA-N 2 0 293.455 1.802 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CCF)CC1 ZINC001484574726 915910268 /nfs/dbraw/zinc/91/02/68/915910268.db2.gz FLNQFURQQVZRBG-HDJSIYSDSA-N 2 0 287.423 1.562 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](C/C=C\Cl)CC1 ZINC001484723117 916081619 /nfs/dbraw/zinc/08/16/19/916081619.db2.gz LVLAVWHHHHXXJF-UKOWJOKBSA-N 2 0 287.835 1.661 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1CCC[N@H+](CCO)CC1)[NH+](CC)CC ZINC001484722096 916102669 /nfs/dbraw/zinc/10/26/69/916102669.db2.gz RMKOCJSJAVPEST-HUUCEWRRSA-N 2 0 299.459 1.070 10 0 CDAERP CC[C@H](C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)C1)OC ZINC001365946582 916115638 /nfs/dbraw/zinc/11/56/38/916115638.db2.gz AZWGKZABGARRDN-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CCCOC)[NH+](C)C ZINC001485079329 916464686 /nfs/dbraw/zinc/46/46/86/916464686.db2.gz XBEINOOHFDLFTB-HUUCEWRRSA-N 2 0 299.459 1.286 10 0 CDAERP CC[N@H+](C)[C@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001485356250 916900689 /nfs/dbraw/zinc/90/06/89/916900689.db2.gz BITZHRPVGWCXOM-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC001434413917 917307866 /nfs/dbraw/zinc/30/78/66/917307866.db2.gz XQINXCPAWYFBHL-CYBMUJFWSA-N 2 0 281.444 1.707 10 0 CDAERP CCN(C(=O)NC[C@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](C)C1 ZINC001649309252 1169186392 /nfs/dbraw/zinc/18/63/92/1169186392.db2.gz SHKFPPOYPQYJDB-KGLIPLIRSA-N 2 0 282.432 1.206 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001494229761 923346206 /nfs/dbraw/zinc/34/62/06/923346206.db2.gz BEEZRKVAWYIBSI-HZSPNIEDSA-N 2 0 287.423 1.655 10 0 CDAERP Cc1ncsc1C[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001491050897 936847034 /nfs/dbraw/zinc/84/70/34/936847034.db2.gz PIKKQOSQBJRJKQ-TXEJJXNPSA-N 2 0 296.440 1.140 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001491079245 936851807 /nfs/dbraw/zinc/85/18/07/936851807.db2.gz IJFXLOWVONPNOZ-UPJWGTAASA-N 2 0 271.380 1.067 10 0 CDAERP CCCCc1noc(CN2CC[C@@H](C[NH3+])[C@@H](C)C2)n1 ZINC000923502284 923883132 /nfs/dbraw/zinc/88/31/32/923883132.db2.gz YOHOLBYOQPZXAK-RYUDHWBXSA-N 2 0 266.389 1.829 10 0 CDAERP COCC[N@@H+]1C[C@H](CO)C2(C1)CC[NH+](C1CCC1)CC2 ZINC000169789574 925113839 /nfs/dbraw/zinc/11/38/39/925113839.db2.gz FKASHKDROLNXKE-CQSZACIVSA-N 2 0 282.428 1.192 10 0 CDAERP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCC1CCCC1 ZINC001410494221 925824418 /nfs/dbraw/zinc/82/44/18/925824418.db2.gz LRDAAKKNDGDCBY-GDBMZVCRSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Cn1ccnc1 ZINC001413796302 937044505 /nfs/dbraw/zinc/04/45/05/937044505.db2.gz YTIAOLNNEOFZED-CABCVRRESA-N 2 0 290.411 1.604 10 0 CDAERP COCC[N@@H+]1CC[C@@]2(NC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001410887153 926730563 /nfs/dbraw/zinc/73/05/63/926730563.db2.gz CQOJFVLNQOEHIG-ZBFHGGJFSA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)CC2CC2)CC[N@@H+]1C ZINC001490197620 927030744 /nfs/dbraw/zinc/03/07/44/927030744.db2.gz ZTPZFZFMTOFOEU-LSDHHAIUSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1[NH2+]CCCF ZINC001274299125 931488990 /nfs/dbraw/zinc/48/89/90/931488990.db2.gz SQTAAEOVNXELHO-GJZGRUSLSA-N 2 0 299.434 1.659 10 0 CDAERP O=C(NC/C=C/C[NH2+]CCCF)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001274429179 931499563 /nfs/dbraw/zinc/49/95/63/931499563.db2.gz BGTAJMVTIQNBQG-JJIOWCPJSA-N 2 0 297.418 1.625 10 0 CDAERP CC(C)C[NH2+][C@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001275482795 931824260 /nfs/dbraw/zinc/82/42/60/931824260.db2.gz VZOUTNDQAGVTJL-OLZOCXBDSA-N 2 0 269.433 1.467 10 0 CDAERP CN(CCC[NH2+]CC1CC1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001276071347 932490295 /nfs/dbraw/zinc/49/02/95/932490295.db2.gz RJEKXFXXQMGGHP-HOTGVXAUSA-N 2 0 293.455 1.851 10 0 CDAERP CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C3CC3)CC2)C(C)(C)C1 ZINC001412687448 932634672 /nfs/dbraw/zinc/63/46/72/932634672.db2.gz DBVNCXOUMMTQCS-OAHLLOKOSA-N 2 0 293.455 1.707 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)CC[NH+](C)C)C1 ZINC001412697038 932645499 /nfs/dbraw/zinc/64/54/99/932645499.db2.gz RUJWXBJMOZYWLT-GJZGRUSLSA-N 2 0 283.460 1.668 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCCC(=O)NC)[C@H](C)C1 ZINC001118365070 937620354 /nfs/dbraw/zinc/62/03/54/937620354.db2.gz DTCFIRTVHCIXEW-CHWSQXEVSA-N 2 0 255.406 1.175 10 0 CDAERP FC(F)(F)[C@H]1CCN(C[C@@H]2CC[NH2+]C2)CCO1 ZINC000687574936 934315583 /nfs/dbraw/zinc/31/55/83/934315583.db2.gz WDKWPEGWKSFEPA-NXEZZACHSA-N 2 0 252.280 1.249 10 0 CDAERP FC(F)(F)[C@@H]1CCN(C[C@H]2CC[NH2+]C2)CCO1 ZINC000687574941 934315842 /nfs/dbraw/zinc/31/58/42/934315842.db2.gz WDKWPEGWKSFEPA-UWVGGRQHSA-N 2 0 252.280 1.249 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1nc2c(s1)CCCC2 ZINC000719531896 934855107 /nfs/dbraw/zinc/85/51/07/934855107.db2.gz WWFDGGFFDRAUHS-NSHDSACASA-N 2 0 283.441 1.865 10 0 CDAERP C[C@H](CN1CCOCC1)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC001412990793 935148254 /nfs/dbraw/zinc/14/82/54/935148254.db2.gz GAYPUTVNWCUEHI-IAGOWNOFSA-N 2 0 295.471 1.372 10 0 CDAERP OC1(C[NH+]2CCCCC2)CC[NH+](CC2CCOCC2)CC1 ZINC001413078407 935892194 /nfs/dbraw/zinc/89/21/94/935892194.db2.gz MPIJHVDPRRULED-UHFFFAOYSA-N 2 0 296.455 1.726 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C1CC1 ZINC001276648326 940598710 /nfs/dbraw/zinc/59/87/10/940598710.db2.gz KQIGXVCBGMEKHU-CQSZACIVSA-N 2 0 267.417 1.389 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)CC[NH+](C)C ZINC001568722737 1169448755 /nfs/dbraw/zinc/44/87/55/1169448755.db2.gz QRHDSXKVBOFLJN-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)C[NH2+]CC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC001329703630 940899891 /nfs/dbraw/zinc/89/98/91/940899891.db2.gz ORSPPWVWSNCLGC-LBPRGKRZSA-N 2 0 255.406 1.126 10 0 CDAERP CC(C)[NH+](CCNC(=O)[C@H](C)CC[NH+](C)C)C(C)C ZINC001362025566 970788825 /nfs/dbraw/zinc/78/88/25/970788825.db2.gz VZBRQZSQMIOVAS-CQSZACIVSA-N 2 0 271.449 1.809 10 0 CDAERP C[C@H](CNC(=O)[C@H](C)CC[NH+](C)C)C[NH+]1CCCCC1 ZINC001362067245 970842138 /nfs/dbraw/zinc/84/21/38/970842138.db2.gz YSRFQVYTUGDRHK-HUUCEWRRSA-N 2 0 283.460 1.812 10 0 CDAERP O=C(NC1CC(C[NH2+]CCCF)C1)C12CCC[NH+]1CCC2 ZINC001282015688 942644615 /nfs/dbraw/zinc/64/46/15/942644615.db2.gz LXPQUZLOSLYKDP-UHFFFAOYSA-N 2 0 297.418 1.459 10 0 CDAERP CC[N@H+](C)CCN(C(=O)CCc1c[nH]cn1)C(C)C ZINC001284538563 943203437 /nfs/dbraw/zinc/20/34/37/943203437.db2.gz WGVMWMSOOHZVRO-UHFFFAOYSA-N 2 0 266.389 1.531 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1C[C@@H]([NH2+]CCCF)C1 ZINC001264394101 944125172 /nfs/dbraw/zinc/12/51/72/944125172.db2.gz TTXUIBPKTILIHK-QLFBSQMISA-N 2 0 299.434 1.705 10 0 CDAERP CCC[N@H+](C)CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001265061521 944218787 /nfs/dbraw/zinc/21/87/87/944218787.db2.gz UHGCHUWADGQOGR-CYBMUJFWSA-N 2 0 257.422 1.421 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)C1CC1 ZINC001265165576 944257107 /nfs/dbraw/zinc/25/71/07/944257107.db2.gz ATWRVPUVXYYOJG-CQSZACIVSA-N 2 0 267.417 1.461 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@H+](CCCCCF)C2)CC1 ZINC001265301411 944333222 /nfs/dbraw/zinc/33/32/22/944333222.db2.gz KBEUWVDSPNTIPY-AWEZNQCLSA-N 2 0 299.434 1.659 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001265457924 944394759 /nfs/dbraw/zinc/39/47/59/944394759.db2.gz BJXPNLARTWMFFU-ZDUSSCGKSA-N 2 0 253.390 1.073 10 0 CDAERP C[N@H+](CCCNC(=O)C[C@@H]1CC[NH+](C)C1)CC1CC1 ZINC001265954827 944595041 /nfs/dbraw/zinc/59/50/41/944595041.db2.gz XNCUYXZAVHFCDD-AWEZNQCLSA-N 2 0 267.417 1.176 10 0 CDAERP CCCCC[NH2+]C[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001266028982 944641201 /nfs/dbraw/zinc/64/12/01/944641201.db2.gz HXKAMGZOSSMDPE-HZPDHXFCSA-N 2 0 295.471 1.957 10 0 CDAERP CC[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001266157952 944722684 /nfs/dbraw/zinc/72/26/84/944722684.db2.gz CZKKEYGRIGKPDB-ZIAGYGMSSA-N 2 0 269.433 1.611 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCC(C)(C)C)C2)C1 ZINC001479341885 971303625 /nfs/dbraw/zinc/30/36/25/971303625.db2.gz YMPVPUFRKFBFGA-KFWWJZLASA-N 2 0 295.471 1.859 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1[C@@H]2CCC[N@H+](CCF)[C@@H]2C1(C)C ZINC001479613644 971347109 /nfs/dbraw/zinc/34/71/09/971347109.db2.gz NPKSUYGUQRZMPZ-CFVMTHIKSA-N 2 0 299.434 1.513 10 0 CDAERP COCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)CC(C)(C)C1 ZINC001479745526 971391817 /nfs/dbraw/zinc/39/18/17/971391817.db2.gz LZPTXLJKQIKBGS-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CCF ZINC001569004644 1169589376 /nfs/dbraw/zinc/58/93/76/1169589376.db2.gz QADJCXVRJQDIJC-CHWSQXEVSA-N 2 0 273.396 1.171 10 0 CDAERP CC(C)[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001278470710 948506868 /nfs/dbraw/zinc/50/68/68/948506868.db2.gz WWKMRMPJYAKXRP-DZGCQCFKSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@H](C[NH2+]CCF)NC(=O)CCC[NH+]1CCCCC1 ZINC001569036581 1169606118 /nfs/dbraw/zinc/60/61/18/1169606118.db2.gz OUBVMSARFORZDK-CYBMUJFWSA-N 2 0 273.396 1.316 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(C)C ZINC001569039089 1169607001 /nfs/dbraw/zinc/60/70/01/1169607001.db2.gz WOIRRUOSHCHJJE-KGLIPLIRSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC[C@@H](C)F)C1 ZINC001480173408 971613242 /nfs/dbraw/zinc/61/32/42/971613242.db2.gz IFBWBLJZFRQYEE-JHJVBQTASA-N 2 0 273.396 1.312 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CCC[C@@H](C[NH2+]C/C=C\Cl)C1 ZINC001480303620 971663051 /nfs/dbraw/zinc/66/30/51/971663051.db2.gz GNMROLCHNSITFW-SDQPKGBYSA-N 2 0 299.846 1.663 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001569081552 1169634912 /nfs/dbraw/zinc/63/49/12/1169634912.db2.gz QEILQCCJAIXZLX-KGLIPLIRSA-N 2 0 267.417 1.389 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCCC[NH+]1CCCF ZINC001480330593 971674370 /nfs/dbraw/zinc/67/43/70/971674370.db2.gz HXHWCASFVAJCSP-CQSZACIVSA-N 2 0 287.423 1.657 10 0 CDAERP CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCN2C2CCCC2)C(C)(C)C1 ZINC001362972478 971774514 /nfs/dbraw/zinc/77/45/14/971774514.db2.gz OFZULPRYYLIOBD-GJZGRUSLSA-N 2 0 293.455 1.850 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1F ZINC001480590636 971797595 /nfs/dbraw/zinc/79/75/95/971797595.db2.gz QQOCSEFFGCXURE-TZMCWYRMSA-N 2 0 293.386 1.372 10 0 CDAERP C[NH+](C)C[C@@H]1CN(C(=O)CC2(C)CC2)C[C@H]1C[NH+](C)C ZINC001363147895 971924303 /nfs/dbraw/zinc/92/43/03/971924303.db2.gz PLEHVZBVUMKDID-ZIAGYGMSSA-N 2 0 281.444 1.374 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC001363495303 953380914 /nfs/dbraw/zinc/38/09/14/953380914.db2.gz GUTLHWXBCGCNDX-FVQBIDKESA-N 2 0 281.444 1.374 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2CCCC[NH+](C)C2)C1 ZINC001363989531 954103596 /nfs/dbraw/zinc/10/35/96/954103596.db2.gz GBZAWNSNQOOIKE-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP CCOCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C ZINC001325923755 954144173 /nfs/dbraw/zinc/14/41/73/954144173.db2.gz WOPGBDFQJTYBRR-LSDHHAIUSA-N 2 0 297.443 1.040 10 0 CDAERP C[NH+]1CCC(C(=O)N2CC[C@@H](CC[NH2+]CC3CC3)C2)CC1 ZINC001326352931 954336653 /nfs/dbraw/zinc/33/66/53/954336653.db2.gz PPGLOBJRXMKRCY-OAHLLOKOSA-N 2 0 293.455 1.566 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]CCC2CC2)C1 ZINC001326760952 954532698 /nfs/dbraw/zinc/53/26/98/954532698.db2.gz YBDGXFDPXXGDNY-JKSUJKDBSA-N 2 0 293.455 1.709 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCCF)C2)C1 ZINC001316663420 955062746 /nfs/dbraw/zinc/06/27/46/955062746.db2.gz DKPBVBZEUZXSRD-SOUVJXGZSA-N 2 0 299.434 1.562 10 0 CDAERP CC(C)C[NH2+]CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001493550996 972080985 /nfs/dbraw/zinc/08/09/85/972080985.db2.gz SKJDSOBALZLAFM-AWEZNQCLSA-N 2 0 267.417 1.032 10 0 CDAERP CC[C@H](F)C[NH2+][C@@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001491579020 955296682 /nfs/dbraw/zinc/29/66/82/955296682.db2.gz IMXLURLNKHMCAC-STQMWFEESA-N 2 0 289.439 1.807 10 0 CDAERP CC/C=C/CC[NH2+][C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001491570255 955309231 /nfs/dbraw/zinc/30/92/31/955309231.db2.gz ZYXQWOPRMAMJJD-VBROQKIQSA-N 2 0 281.444 1.779 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@H](C[NH2+]C/C=C/Cl)C1 ZINC001491832735 955457944 /nfs/dbraw/zinc/45/79/44/955457944.db2.gz SWSADPKNYTTZOS-MJRJWQSSSA-N 2 0 273.808 1.129 10 0 CDAERP O=C(N1CC[C@@H](C[NH2+]C/C=C\Cl)C1)C12CC[NH+](CC1)C2 ZINC001491847764 955466878 /nfs/dbraw/zinc/46/68/78/955466878.db2.gz LHHGTHLHBOEBDK-RBVVKQATSA-N 2 0 297.830 1.273 10 0 CDAERP CC(C)C[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CCC1 ZINC001421752824 955525585 /nfs/dbraw/zinc/52/55/85/955525585.db2.gz WDAHASDPFQHPTF-HNNXBMFYSA-N 2 0 293.455 1.613 10 0 CDAERP CCC[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001493727535 972106450 /nfs/dbraw/zinc/10/64/50/972106450.db2.gz YQJKYHSIFZQPCF-KGLIPLIRSA-N 2 0 267.417 1.461 10 0 CDAERP CCC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001492031628 955619018 /nfs/dbraw/zinc/61/90/18/955619018.db2.gz PYWICGOOISTSCZ-UONOGXRCSA-N 2 0 269.433 1.755 10 0 CDAERP CC(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001421944019 955668004 /nfs/dbraw/zinc/66/80/04/955668004.db2.gz WKTJLPQODFGAFA-KKUMJFAQSA-N 2 0 283.460 1.809 10 0 CDAERP CO[C@@H](C)C[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001493805937 972117148 /nfs/dbraw/zinc/11/71/48/972117148.db2.gz BLKGSKGCUOGBTR-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP COCCC[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001329102279 955684947 /nfs/dbraw/zinc/68/49/47/955684947.db2.gz CVSAOYMQRMPFEQ-ZIAGYGMSSA-N 2 0 299.459 1.380 10 0 CDAERP C[NH+](C)C1CN(C(=O)[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)C1 ZINC001365190606 955701414 /nfs/dbraw/zinc/70/14/14/955701414.db2.gz FGMZJZDXIGUTSZ-HOTGVXAUSA-N 2 0 287.407 1.452 10 0 CDAERP CC[NH2+][C@H](C)[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001329198492 955750415 /nfs/dbraw/zinc/75/04/15/955750415.db2.gz XHYSIYUXRUCCHV-KGLIPLIRSA-N 2 0 269.433 1.755 10 0 CDAERP CN(CC[N@H+](C)CCCF)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001422168791 955767873 /nfs/dbraw/zinc/76/78/73/955767873.db2.gz PKDQCXXOXCCBEX-AWEZNQCLSA-N 2 0 287.423 1.611 10 0 CDAERP COC[C@@H](C)[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001422242225 955881244 /nfs/dbraw/zinc/88/12/44/955881244.db2.gz HNNGIOXXGMNKAW-CABCVRRESA-N 2 0 297.443 1.040 10 0 CDAERP CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001316682442 955995479 /nfs/dbraw/zinc/99/54/79/955995479.db2.gz BCIAGHOAFWLGRM-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H](C[NH2+]CC1CC2(CCC2)C1)NC(=O)CC[NH+](C)C ZINC001422548472 956140398 /nfs/dbraw/zinc/14/03/98/956140398.db2.gz CGVJUCYMBKEUGG-CYBMUJFWSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C[NH2+]C[C@H]1CC(C)(C)CO1)[NH+](C)C ZINC001422657406 956235420 /nfs/dbraw/zinc/23/54/20/956235420.db2.gz CBLCMDOINKZWHR-BFHYXJOUSA-N 2 0 299.459 1.236 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccsc1)[NH+](C)C ZINC001422735499 956296455 /nfs/dbraw/zinc/29/64/55/956296455.db2.gz RUYSKLUVHOSAOJ-AAEUAGOBSA-N 2 0 283.441 1.683 10 0 CDAERP CC[C@H](F)C[NH+]1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001365925026 956439227 /nfs/dbraw/zinc/43/92/27/956439227.db2.gz NOTAYIAUAYDWNW-ZDUSSCGKSA-N 2 0 287.423 1.609 10 0 CDAERP C[N@H+](CCCF)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001366071900 956542849 /nfs/dbraw/zinc/54/28/49/956542849.db2.gz XGWBEJUCWRGGPQ-GJZGRUSLSA-N 2 0 299.434 1.611 10 0 CDAERP O=C(N[C@@H](C[NH2+]CC1CC1)C1CC1)[C@@]12CC[N@H+](C1)CCC2 ZINC001423059742 956552431 /nfs/dbraw/zinc/55/24/31/956552431.db2.gz HVITVGDERONIDX-RDJZCZTQSA-N 2 0 291.439 1.367 10 0 CDAERP Cc1csc(C[NH2+][C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)n1 ZINC001366121624 956582161 /nfs/dbraw/zinc/58/21/61/956582161.db2.gz CKEUMIYYGFTHKV-HAQNSBGRSA-N 2 0 296.440 1.140 10 0 CDAERP Cc1noc(C)c1C[NH2+][C@@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001423102704 956585868 /nfs/dbraw/zinc/58/58/68/956585868.db2.gz JCYKUETWBNCPTA-NSHDSACASA-N 2 0 296.415 1.180 10 0 CDAERP CC[C@H](C(=O)NC1CCC([NH2+]CCO)CC1)[NH+](CC)CC ZINC001366246999 956665396 /nfs/dbraw/zinc/66/53/96/956665396.db2.gz GRLGAFOUNHRMQM-YMAMQOFZSA-N 2 0 299.459 1.116 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cc(F)ccc1F ZINC001366322420 956742783 /nfs/dbraw/zinc/74/27/83/956742783.db2.gz KMEJRPJYHZXRDE-NSHDSACASA-N 2 0 299.365 1.511 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@H]([NH2+]CCCF)C2CC2)CC[N@@H+]1C ZINC001317016824 956926680 /nfs/dbraw/zinc/92/66/80/956926680.db2.gz GPTLQQKRESRBPJ-SOUVJXGZSA-N 2 0 299.434 1.561 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)C1CC[NH+](CCOC)CC1 ZINC001423665672 956927875 /nfs/dbraw/zinc/92/78/75/956927875.db2.gz JLKMDMAQUBTEND-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1ccsc1 ZINC001366537948 956938534 /nfs/dbraw/zinc/93/85/34/956938534.db2.gz FRWKVBQISPZZRP-AWEZNQCLSA-N 2 0 295.452 1.780 10 0 CDAERP CC(C)CC[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001423690952 956943858 /nfs/dbraw/zinc/94/38/58/956943858.db2.gz BXDWMMJPIQKZBX-NFOMZHRRSA-N 2 0 281.444 1.563 10 0 CDAERP CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001331317961 956963134 /nfs/dbraw/zinc/96/31/34/956963134.db2.gz JCBZIHJRNXPYHM-AWEZNQCLSA-N 2 0 281.444 1.565 10 0 CDAERP C[NH+]1CCC(C(=O)N2CCC[C@H](C[NH2+]CCF)C2)CC1 ZINC001317158644 956990274 /nfs/dbraw/zinc/99/02/74/956990274.db2.gz WDLREUJIDNZMAL-CYBMUJFWSA-N 2 0 285.407 1.126 10 0 CDAERP CC[C@H](C)C[NH2+]CCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001569257561 1169739078 /nfs/dbraw/zinc/73/90/78/1169739078.db2.gz HWYJDZSPQGQOJD-GJZGRUSLSA-N 2 0 283.460 1.812 10 0 CDAERP CC[C@H](C)C[N@H+](CC)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001366617629 957043580 /nfs/dbraw/zinc/04/35/80/957043580.db2.gz YATACNVMJKTLDL-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP C[NH+](C)CC1(C(=O)NCCC[N@H+](C)C/C=C/Cl)CC1 ZINC001316844673 957069980 /nfs/dbraw/zinc/06/99/80/957069980.db2.gz BAQMSQUFOKRMTP-XBXARRHUSA-N 2 0 287.835 1.519 10 0 CDAERP CCC[N@H+](CC)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001316901401 957108308 /nfs/dbraw/zinc/10/83/08/957108308.db2.gz JCJIAQQGRCSVOX-UHFFFAOYSA-N 2 0 269.433 1.566 10 0 CDAERP CC[C@@H](C(=O)NCCC[N@H+](CC)C(C)C)[NH+](C)C ZINC001316902230 957109109 /nfs/dbraw/zinc/10/91/09/957109109.db2.gz HKWUUQCJZSOBQW-ZDUSSCGKSA-N 2 0 257.422 1.563 10 0 CDAERP CC[C@@H](C)C[N@H+](CC)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001316909060 957113671 /nfs/dbraw/zinc/11/36/71/957113671.db2.gz LNWWZZPGVDIHBQ-HUUCEWRRSA-N 2 0 283.460 1.812 10 0 CDAERP CCC[N@H+](CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)C1CC1 ZINC001366740770 957157198 /nfs/dbraw/zinc/15/71/98/957157198.db2.gz DNHNZLODZUALSC-HZPDHXFCSA-N 2 0 293.455 1.994 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001316987576 957184695 /nfs/dbraw/zinc/18/46/95/957184695.db2.gz UNEAZHGAVPVYCF-DWTRPJMMSA-N 2 0 293.455 1.875 10 0 CDAERP C([C@@H]1C[C@]12CCOC2)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001331707157 957217734 /nfs/dbraw/zinc/21/77/34/957217734.db2.gz PLQLFUGXLCYROK-HOCLYGCPSA-N 2 0 264.413 1.879 10 0 CDAERP CCCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001424518259 957257376 /nfs/dbraw/zinc/25/73/76/957257376.db2.gz ZCUJRBNZVPTLNS-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001367059460 957372646 /nfs/dbraw/zinc/37/26/46/957372646.db2.gz NHUBUPYAZHNKQC-HOTGVXAUSA-N 2 0 295.471 1.907 10 0 CDAERP CCOCC[NH2+][C@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001317271026 957394489 /nfs/dbraw/zinc/39/44/89/957394489.db2.gz KHLOAEMHJGFDGG-CABCVRRESA-N 2 0 299.459 1.382 10 0 CDAERP CC(C)CCC[NH2+][C@@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001317280906 957400925 /nfs/dbraw/zinc/40/09/25/957400925.db2.gz ALQFCIVVELAQDX-GJZGRUSLSA-N 2 0 283.460 1.859 10 0 CDAERP CC[NH2+]CCc1ccc(CNC(=O)CC[NH+](C)C)cc1 ZINC001317367931 957438773 /nfs/dbraw/zinc/43/87/73/957438773.db2.gz DNVSRPSOXYAWBW-UHFFFAOYSA-N 2 0 277.412 1.407 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001317434978 957470144 /nfs/dbraw/zinc/47/01/44/957470144.db2.gz PDLAKEDCOJEDBQ-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCF)C[C@H]2C1 ZINC001425386063 957524693 /nfs/dbraw/zinc/52/46/93/957524693.db2.gz XIXZQZHZPPSSQP-MGPQQGTHSA-N 2 0 285.407 1.124 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001425416070 957529399 /nfs/dbraw/zinc/52/93/99/957529399.db2.gz JCEYFQLGEIRUGB-IHRRRGAJSA-N 2 0 297.418 1.315 10 0 CDAERP C[C@@H](F)CC[NH2+][C@@H](C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001425558259 957568291 /nfs/dbraw/zinc/56/82/91/957568291.db2.gz PUSBYFHJEHDRBC-OLZOCXBDSA-N 2 0 287.423 1.655 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]CCCF ZINC001317604401 957594146 /nfs/dbraw/zinc/59/41/46/957594146.db2.gz VMQUJLNECUOSEO-CQSZACIVSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]Cc2cccnc2)CN1C(=O)CC[NH+](C)C ZINC001425886266 957634411 /nfs/dbraw/zinc/63/44/11/957634411.db2.gz CGCJXAVRUXAVPE-DZGCQCFKSA-N 2 0 290.411 1.112 10 0 CDAERP CC[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CCC(C)C ZINC001367123185 957693283 /nfs/dbraw/zinc/69/32/83/957693283.db2.gz GGEOHHDKKCODGK-CABCVRRESA-N 2 0 283.460 1.859 10 0 CDAERP CCC[NH2+]C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001332882174 957915061 /nfs/dbraw/zinc/91/50/61/957915061.db2.gz RCZVFDUDZCSNML-UONOGXRCSA-N 2 0 283.460 1.859 10 0 CDAERP CC[C@H](F)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001367329311 957934282 /nfs/dbraw/zinc/93/42/82/957934282.db2.gz YSKRIOQMBAPMAJ-KBPBESRZSA-N 2 0 299.434 1.705 10 0 CDAERP CC(C)C[NH2+][C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)C ZINC001367482202 958046566 /nfs/dbraw/zinc/04/65/66/958046566.db2.gz HLUGZUYZOATUEG-HUUCEWRRSA-N 2 0 283.460 1.715 10 0 CDAERP COCC[N@@H+]1CC[C@H](N(C)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001494830177 972319395 /nfs/dbraw/zinc/31/93/95/972319395.db2.gz NYWGTRSHDNFVTK-GJZGRUSLSA-N 2 0 297.443 1.040 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001367951775 958507836 /nfs/dbraw/zinc/50/78/36/958507836.db2.gz NOWJJSRQDJFFHM-OLZOCXBDSA-N 2 0 285.407 1.409 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001319512560 958601798 /nfs/dbraw/zinc/60/17/98/958601798.db2.gz ZBQUZAKBCUUDNV-UONOGXRCSA-N 2 0 267.417 1.483 10 0 CDAERP C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C[NH2+]CC1CC1 ZINC001368351476 958784170 /nfs/dbraw/zinc/78/41/70/958784170.db2.gz NGBWOXYNVIMZAW-ZFWWWQNUSA-N 2 0 293.455 1.422 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001368494932 958904812 /nfs/dbraw/zinc/90/48/12/958904812.db2.gz IBHKLHJUUQNLBO-MCIONIFRSA-N 2 0 299.434 1.561 10 0 CDAERP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cnccc1C ZINC001495050750 972388391 /nfs/dbraw/zinc/38/83/91/972388391.db2.gz PWQBQRPRPRXMMO-OAHLLOKOSA-N 2 0 292.427 1.326 10 0 CDAERP CCCC[N@H+](C)CCCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001368561391 958968474 /nfs/dbraw/zinc/96/84/74/958968474.db2.gz HNYKZHGATFEZST-HNNXBMFYSA-N 2 0 283.460 1.909 10 0 CDAERP c1n[nH]cc1CC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC001334390045 959079339 /nfs/dbraw/zinc/07/93/39/959079339.db2.gz LFCGKNSBYVSJRY-HUUCEWRRSA-N 2 0 262.401 1.710 10 0 CDAERP CC[NH2+]CCN(CC)C(=O)[C@@H]1COCCN1C1CCCC1 ZINC001320819379 959409056 /nfs/dbraw/zinc/40/90/56/959409056.db2.gz IQNRRZWIVFSOKE-HNNXBMFYSA-N 2 0 297.443 1.088 10 0 CDAERP CCCC[N@H+](C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001369184728 959511126 /nfs/dbraw/zinc/51/11/26/959511126.db2.gz GYRSYHVLVSZUNY-UHFFFAOYSA-N 2 0 281.444 1.805 10 0 CDAERP CC(C)N(CC[N@H+](C)C(C)C)C(=O)C1(C[NH+](C)C)CC1 ZINC001369527922 959740463 /nfs/dbraw/zinc/74/04/63/959740463.db2.gz JXYCGOFASTXVGX-UHFFFAOYSA-N 2 0 283.460 1.905 10 0 CDAERP CC[N@H+](C)CCC(=O)NC1(C2CC[NH+](CCF)CC2)CC1 ZINC001369586227 959776712 /nfs/dbraw/zinc/77/67/12/959776712.db2.gz UEUMWSKMJSCDJB-UHFFFAOYSA-N 2 0 299.434 1.659 10 0 CDAERP CCC[NH2+]C[C@@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001321543710 959843267 /nfs/dbraw/zinc/84/32/67/959843267.db2.gz XYQBREUMYGKZOW-CHWSQXEVSA-N 2 0 255.406 1.365 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C[NH2+]C/C=C\Cl)[NH+](C)C ZINC001321564212 959854097 /nfs/dbraw/zinc/85/40/97/959854097.db2.gz QIAGOJYNJMFZQW-GYHQZXBOSA-N 2 0 261.797 1.173 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccsc2)C1 ZINC001370543737 960142177 /nfs/dbraw/zinc/14/21/77/960142177.db2.gz AJIFCNVNLDTWJF-HDJSIYSDSA-N 2 0 295.452 1.827 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)CCCOC ZINC001322306318 960177315 /nfs/dbraw/zinc/17/73/15/960177315.db2.gz JNMKFSOQKFTMJN-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001433703471 960538023 /nfs/dbraw/zinc/53/80/23/960538023.db2.gz IQPPJKBUVJWPQP-CABCVRRESA-N 2 0 281.444 1.661 10 0 CDAERP CC[N@@H+]1CC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001323247417 960584161 /nfs/dbraw/zinc/58/41/61/960584161.db2.gz UYWDLVBAJRLGMB-CHWSQXEVSA-N 2 0 253.390 1.071 10 0 CDAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001418619153 960810449 /nfs/dbraw/zinc/81/04/49/960810449.db2.gz KNSUMLJFNZPJGC-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP O=C(CC[N@H+]1CC[C@H](F)C1)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC001434118746 961004040 /nfs/dbraw/zinc/00/40/40/961004040.db2.gz KPSDKPTZSMNZIE-MELADBBJSA-N 2 0 283.391 1.163 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C1CC1 ZINC001418801657 961036456 /nfs/dbraw/zinc/03/64/56/961036456.db2.gz PLCVTFWELCXMMU-UKRRQHHQSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001324131098 961188858 /nfs/dbraw/zinc/18/88/58/961188858.db2.gz UEMWSZIWACQMKN-GJZGRUSLSA-N 2 0 279.428 1.627 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC[C@@H](C)F)C1)[NH+](C)C ZINC001419417751 961675847 /nfs/dbraw/zinc/67/58/47/961675847.db2.gz JIEQNVQTMVWJPR-AAVRWANBSA-N 2 0 287.423 1.558 10 0 CDAERP Cc1ncc(C[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]2CCCC2)o1 ZINC001419747768 962065416 /nfs/dbraw/zinc/06/54/16/962065416.db2.gz OSRQXIMBKWKFPG-GFCCVEGCSA-N 2 0 294.399 1.015 10 0 CDAERP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]CC1CCC1 ZINC001419820985 962132692 /nfs/dbraw/zinc/13/26/92/962132692.db2.gz OVTWWSBSYOMWAQ-DZGCQCFKSA-N 2 0 281.444 1.565 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001436872048 962469197 /nfs/dbraw/zinc/46/91/97/962469197.db2.gz NWSGPMBDGGETLE-AWEZNQCLSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@H](C)C[N@@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001437009799 962557396 /nfs/dbraw/zinc/55/73/96/962557396.db2.gz ZQPFDUONNQGRRV-LSDHHAIUSA-N 2 0 283.460 1.812 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CCCC[N@@H+]1CCC1CC1 ZINC001437042871 962578164 /nfs/dbraw/zinc/57/81/64/962578164.db2.gz QOXPKNPEHNWSDN-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001437276641 962785609 /nfs/dbraw/zinc/78/56/09/962785609.db2.gz SCKIYJRHCYLJRF-STQMWFEESA-N 2 0 285.407 1.409 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+](CC)CC2CC2)CC[N@@H+]1C ZINC001420388483 962839336 /nfs/dbraw/zinc/83/93/36/962839336.db2.gz VFSPZMJCKIQNLF-LSDHHAIUSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001437456530 962922041 /nfs/dbraw/zinc/92/20/41/962922041.db2.gz ISXJFAICHMJNJJ-OCCSQVGLSA-N 2 0 285.407 1.124 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001420534265 963024883 /nfs/dbraw/zinc/02/48/83/963024883.db2.gz GVRPYZWIKZBXHN-ZDUSSCGKSA-N 2 0 295.452 1.638 10 0 CDAERP CC(C)CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001420925485 963363968 /nfs/dbraw/zinc/36/39/68/963363968.db2.gz KMASWRGKFNBUIC-HZPDHXFCSA-N 2 0 295.471 1.907 10 0 CDAERP CCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001438262411 963387451 /nfs/dbraw/zinc/38/74/51/963387451.db2.gz DUSULVZKJYGOBE-HNNXBMFYSA-N 2 0 281.444 1.661 10 0 CDAERP CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001421238946 963515884 /nfs/dbraw/zinc/51/58/84/963515884.db2.gz PUBREHMXEDHGCM-GDBMZVCRSA-N 2 0 281.444 1.707 10 0 CDAERP COC[C@H](C)[N@@H+]1CCC[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001421280650 963532013 /nfs/dbraw/zinc/53/20/13/963532013.db2.gz AQRCLSSIIJLLBY-GOEBONIOSA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@@H](F)C[N@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001439334877 963725800 /nfs/dbraw/zinc/72/58/00/963725800.db2.gz XUNVLEWNKQPTAX-CHWSQXEVSA-N 2 0 287.423 1.655 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH+](C)CC1CCCC1 ZINC001439387177 963747341 /nfs/dbraw/zinc/74/73/41/963747341.db2.gz NGXZNBLUTRNCJQ-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H](O)C[N@H+](C)C[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001440514936 964097558 /nfs/dbraw/zinc/09/75/58/964097558.db2.gz GGXLJJVCAIYZNA-CABCVRRESA-N 2 0 299.459 1.022 10 0 CDAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]CC1CC(C)(C)C1 ZINC001440588928 964114429 /nfs/dbraw/zinc/11/44/29/964114429.db2.gz KPZFROMYAJTXKH-ZFWWWQNUSA-N 2 0 295.471 1.811 10 0 CDAERP CN(C(=O)CC[NH+](C)C)C1CCC([NH2+]CCF)CC1 ZINC001440860982 964214248 /nfs/dbraw/zinc/21/42/48/964214248.db2.gz YQLSMJXFNKYXMU-UHFFFAOYSA-N 2 0 273.396 1.267 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC2CCCC2)C1 ZINC001441411401 964503050 /nfs/dbraw/zinc/50/30/50/964503050.db2.gz BWJAJYXOSNGUJL-SHTZXODSSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccsc1 ZINC001442014799 964833259 /nfs/dbraw/zinc/83/32/59/964833259.db2.gz WAYHVJYUHNDKHG-QWHCGFSZSA-N 2 0 295.452 1.684 10 0 CDAERP CC[C@H](F)C[NH2+][C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001442151734 964889631 /nfs/dbraw/zinc/88/96/31/964889631.db2.gz YPJOTYNDMRYOBM-KGLIPLIRSA-N 2 0 287.423 1.705 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)CC[NH+](C)C)C1 ZINC001442492215 965091885 /nfs/dbraw/zinc/09/18/85/965091885.db2.gz UJMGKAOZMOHFKD-CABCVRRESA-N 2 0 283.460 1.811 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC001346694875 965217006 /nfs/dbraw/zinc/21/70/06/965217006.db2.gz ISDZUBSOCWDGSB-HUUCEWRRSA-N 2 0 292.427 1.126 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CCF ZINC001443933905 965674032 /nfs/dbraw/zinc/67/40/32/965674032.db2.gz MXHPYQNOVDZJGW-HIFRSBDPSA-N 2 0 299.434 1.847 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)[C@@H](C)n1ccnc1 ZINC001347876445 965734725 /nfs/dbraw/zinc/73/47/25/965734725.db2.gz CRMZUKBFFSBWBM-GFCCVEGCSA-N 2 0 266.389 1.681 10 0 CDAERP C[C@H](C[NH2+]Cc1cncc(F)c1)NC(=O)CCC[NH+](C)C ZINC001445439180 966197953 /nfs/dbraw/zinc/19/79/53/966197953.db2.gz VVGZKAMQIYCBMX-GFCCVEGCSA-N 2 0 296.390 1.157 10 0 CDAERP CC1(CNC(=O)[C@@H]2CCCC[C@H]2[NH3+])CC[NH2+]CC1 ZINC001349398088 966335150 /nfs/dbraw/zinc/33/51/50/966335150.db2.gz DPLMRNYHHOJUEW-VXGBXAGGSA-N 2 0 253.390 1.010 10 0 CDAERP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC001349419934 966344191 /nfs/dbraw/zinc/34/41/91/966344191.db2.gz CYUDWFJCOAUOQL-HZSPNIEDSA-N 2 0 267.417 1.447 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]Cc1ccsc1)C1CC1 ZINC001445967013 966403136 /nfs/dbraw/zinc/40/31/36/966403136.db2.gz KHFVPYXMOYOTEL-AWEZNQCLSA-N 2 0 295.452 1.684 10 0 CDAERP CC[C@@H](C)C[NH+]1CC(N(C)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001446369556 966527773 /nfs/dbraw/zinc/52/77/73/966527773.db2.gz ASLTVQQYXWISFT-CYBMUJFWSA-N 2 0 281.444 1.659 10 0 CDAERP CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+][C@@H](C)COC)[NH+](C)C ZINC001447168280 966714565 /nfs/dbraw/zinc/71/45/65/966714565.db2.gz JAGAKUUOYPJMOK-RRFJBIMHSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)OCC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001447293669 966743311 /nfs/dbraw/zinc/74/33/11/966743311.db2.gz CRCPCPSPGBWHMQ-OAHLLOKOSA-N 2 0 299.459 1.334 10 0 CDAERP C[NH+](C)CC1(C(=O)NC2CC(C[NH2+]CC3CC3)C2)CC1 ZINC001447807362 966882321 /nfs/dbraw/zinc/88/23/21/966882321.db2.gz VRTZDCQVUJLZFI-UHFFFAOYSA-N 2 0 279.428 1.223 10 0 CDAERP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCCF)CC1(C)C)C1CCC1 ZINC001448390723 967091965 /nfs/dbraw/zinc/09/19/65/967091965.db2.gz LRQVWYGVZUXYPG-CQSZACIVSA-N 2 0 299.434 1.657 10 0 CDAERP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CCc1ccccc1 ZINC001448719603 967224925 /nfs/dbraw/zinc/22/49/25/967224925.db2.gz OUTNYUBZZXZTFG-HNNXBMFYSA-N 2 0 291.439 1.617 10 0 CDAERP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]Cc1cncs1 ZINC001448789162 967254332 /nfs/dbraw/zinc/25/43/32/967254332.db2.gz ROROZMVPRQHXRU-GFCCVEGCSA-N 2 0 296.440 1.175 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+](C(C)C)C2)C1 ZINC001472022877 968224728 /nfs/dbraw/zinc/22/47/28/968224728.db2.gz LBMGMCGYEUKAEI-GJZGRUSLSA-N 2 0 281.444 1.707 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001361764555 970505433 /nfs/dbraw/zinc/50/54/33/970505433.db2.gz JTFRDKDQTWEGRS-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP C[NH+](C)CC1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001361783997 970527616 /nfs/dbraw/zinc/52/76/16/970527616.db2.gz MYGKUXRJFBIDFO-JKSUJKDBSA-N 2 0 295.471 1.907 10 0 CDAERP C[N@H+](CC(=O)NC[C@@H]1C[NH+]2CCC1CC2)CC(C)(C)C ZINC001472233844 970602051 /nfs/dbraw/zinc/60/20/51/970602051.db2.gz USEBQOFGOLQSJU-CQSZACIVSA-N 2 0 281.444 1.422 10 0 CDAERP O=C(CC[N@H+]1CC[C@H](F)C1)N1CCC([NH2+]C2CCC2)CC1 ZINC001472266449 970612306 /nfs/dbraw/zinc/61/23/06/970612306.db2.gz VKOPFNOEBFOKKS-ZDUSSCGKSA-N 2 0 297.418 1.553 10 0 CDAERP Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001361868758 970624633 /nfs/dbraw/zinc/62/46/33/970624633.db2.gz HYIYNTUDPWTVNT-BFHYXJOUSA-N 2 0 288.395 1.220 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@H]([NH2+]CC[C@H]2CCCCO2)C1 ZINC001371533530 972540692 /nfs/dbraw/zinc/54/06/92/972540692.db2.gz YZVFNDQIXCOGAL-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@@H]([NH2+]CC2CCC2)C1 ZINC001371645386 972577395 /nfs/dbraw/zinc/57/73/95/972577395.db2.gz UFASMQCPQGTAKL-CABCVRRESA-N 2 0 281.444 1.755 10 0 CDAERP C[N@H+](CCNC(=O)[C@@]12CC[NH+](C1)CCC2)CCC(C)(C)C ZINC001372211251 972852546 /nfs/dbraw/zinc/85/25/46/972852546.db2.gz NNZNDBJBGCQAEC-KRWDZBQOSA-N 2 0 295.471 1.957 10 0 CDAERP Cc1ncoc1C[NH2+][C@@H](CNC(=O)CC[NH+](C)C)C(C)C ZINC001496597099 972983257 /nfs/dbraw/zinc/98/32/57/972983257.db2.gz JPCUQJKRFGYTGC-ZDUSSCGKSA-N 2 0 296.415 1.165 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCC[NH+]2CCC2CC2)C1 ZINC001372569099 973022486 /nfs/dbraw/zinc/02/24/86/973022486.db2.gz MXFYOZJAZNYNAH-HOTGVXAUSA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC[NH+](C/C=C/Cl)C1 ZINC001372682444 973081529 /nfs/dbraw/zinc/08/15/29/973081529.db2.gz OHLOPSGHAUFFFL-BPJJOFIESA-N 2 0 287.835 1.517 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001496837103 973114415 /nfs/dbraw/zinc/11/44/15/973114415.db2.gz YIXFZFVNZVAHTQ-KBPBESRZSA-N 2 0 269.433 1.374 10 0 CDAERP CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001373043161 973238190 /nfs/dbraw/zinc/23/81/90/973238190.db2.gz WSSYJSTXLNAATP-HOTGVXAUSA-N 2 0 289.423 1.938 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)N(C)CC[N@H+](C)C2CC2)CC1 ZINC001417717341 973321337 /nfs/dbraw/zinc/32/13/37/973321337.db2.gz QSRBTJZRBNAPPU-UHFFFAOYSA-N 2 0 295.471 1.907 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001417798616 973393837 /nfs/dbraw/zinc/39/38/37/973393837.db2.gz CISXNXKTVZPKMP-FQUUOJAGSA-N 2 0 285.407 1.171 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](C[C@@H](CC)OC)[C@@H]1C ZINC001417850122 973420208 /nfs/dbraw/zinc/42/02/08/973420208.db2.gz BLXTTYCFHQQFRA-KFWWJZLASA-N 2 0 299.459 1.332 10 0 CDAERP CC1CC[NH+](CC(=O)NC/C=C/C[NH2+]C/C=C/Cl)CC1 ZINC001497715232 973475916 /nfs/dbraw/zinc/47/59/16/973475916.db2.gz RXBSCZDAZMHGII-AOGGBPEJSA-N 2 0 299.846 1.733 10 0 CDAERP CC(C)C[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001417981865 973513312 /nfs/dbraw/zinc/51/33/12/973513312.db2.gz ZJRIBIRFFRGBRH-BPLDGKMQSA-N 2 0 281.444 1.467 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C[NH2+]CCC1CC1)[NH+](C)C ZINC001497835921 973543878 /nfs/dbraw/zinc/54/38/78/973543878.db2.gz NDVBDRXKQLUMBG-DGCLKSJQSA-N 2 0 255.406 1.221 10 0 CDAERP CC(C)[NH+](C)CC(=O)N(C)[C@H]1CC[N@@H+](CCC[C@@H](C)O)C1 ZINC001373694288 973571446 /nfs/dbraw/zinc/57/14/46/973571446.db2.gz GDFNRUCQMBUZTD-CABCVRRESA-N 2 0 299.459 1.020 10 0 CDAERP CC(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001418115035 973593925 /nfs/dbraw/zinc/59/39/25/973593925.db2.gz XZMWNNNHKMPCGH-OWCLPIDISA-N 2 0 295.471 2.000 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001418149504 973610311 /nfs/dbraw/zinc/61/03/11/973610311.db2.gz YKYJZZJLGBZPOO-OAHLLOKOSA-N 2 0 283.460 1.811 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001418297512 973734311 /nfs/dbraw/zinc/73/43/11/973734311.db2.gz GECIRYSQZIIDAO-UONOGXRCSA-N 2 0 299.459 1.238 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC2CC2)[C@H](C)C1 ZINC001374388572 973911027 /nfs/dbraw/zinc/91/10/27/973911027.db2.gz WDYOPKKRQCENLN-UKRRQHHQSA-N 2 0 281.444 1.563 10 0 CDAERP CCC[N@H+](C)CCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001374558617 973995651 /nfs/dbraw/zinc/99/56/51/973995651.db2.gz ZSIPMNWIIWHLNI-OAHLLOKOSA-N 2 0 283.460 1.907 10 0 CDAERP CC(C)[NH2+]CCCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001498630189 974003553 /nfs/dbraw/zinc/00/35/53/974003553.db2.gz NIONVWKFXHCDFJ-UHFFFAOYSA-N 2 0 269.433 1.565 10 0 CDAERP O=C(C[NH+]1CCCC1)NCC1([NH2+]CCC(F)(F)F)CC1 ZINC001499448154 974253796 /nfs/dbraw/zinc/25/37/96/974253796.db2.gz GGYBGNHFBZZRCE-UHFFFAOYSA-N 2 0 293.333 1.273 10 0 CDAERP CC(C)OCCC[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001500256105 974409991 /nfs/dbraw/zinc/40/99/91/974409991.db2.gz AESBVKFXPDYKAR-MRXNPFEDSA-N 2 0 299.459 1.334 10 0 CDAERP COCCCC[N@@H+]1CC[C@@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001500292184 974416275 /nfs/dbraw/zinc/41/62/75/974416275.db2.gz GKUBYLUXRFQZQZ-MRXNPFEDSA-N 2 0 299.459 1.334 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001375544474 974418391 /nfs/dbraw/zinc/41/83/91/974418391.db2.gz SVVFCOKBJVAPAZ-QKPAOTATSA-N 2 0 295.471 1.859 10 0 CDAERP CC[C@H](F)C[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2ncc[nH]2)C1 ZINC001375578839 974430658 /nfs/dbraw/zinc/43/06/58/974430658.db2.gz YXMFTCZFDYLSMP-RWMBFGLXSA-N 2 0 296.390 1.575 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]2C[NH+](C(C)C)C[C@H]21 ZINC001501427401 974582750 /nfs/dbraw/zinc/58/27/50/974582750.db2.gz KSCDWGXCZOXVBU-LSDHHAIUSA-N 2 0 281.444 1.658 10 0 CDAERP COC[C@@H](C)[N@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001376279116 974619602 /nfs/dbraw/zinc/61/96/02/974619602.db2.gz DVZYGWOVPAEBBH-CABCVRRESA-N 2 0 299.459 1.143 10 0 CDAERP Cc1ccncc1C[NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001376386216 974648963 /nfs/dbraw/zinc/64/89/63/974648963.db2.gz DKUQIZOWHNAEHD-SHTZXODSSA-N 2 0 290.411 1.079 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001376504875 974678211 /nfs/dbraw/zinc/67/82/11/974678211.db2.gz VGNIDZZPKGHQNE-UPJWGTAASA-N 2 0 271.380 1.067 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)NC[C@H]1CCC[N@H+](CC)C1 ZINC001376595814 974694099 /nfs/dbraw/zinc/69/40/99/974694099.db2.gz DIHLVLFFKUUKJB-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP CCC[N@H+](C)CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001502390821 974732777 /nfs/dbraw/zinc/73/27/77/974732777.db2.gz SEQGPCFFTWIBDA-UHFFFAOYSA-N 2 0 267.417 1.273 10 0 CDAERP C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]CCCF ZINC001502738400 974772560 /nfs/dbraw/zinc/77/25/60/974772560.db2.gz NUDOIKNIZDLVMR-GXTWGEPZSA-N 2 0 285.407 1.124 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001377151647 974907301 /nfs/dbraw/zinc/90/73/01/974907301.db2.gz GTOHYFRVUXYGRZ-UKRRQHHQSA-N 2 0 281.444 1.422 10 0 CDAERP CCC[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001505633767 974944630 /nfs/dbraw/zinc/94/46/30/974944630.db2.gz SPVMMWNUNIYGRR-KBPBESRZSA-N 2 0 299.459 1.238 10 0 CDAERP CC[C@@H](F)CN(CCNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001377520673 975062643 /nfs/dbraw/zinc/06/26/43/975062643.db2.gz VHPHBRVVFFGHEX-OCCSQVGLSA-N 2 0 285.407 1.409 10 0 CDAERP CC(C)[N@@H+]1CCO[C@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001506731188 975207583 /nfs/dbraw/zinc/20/75/83/975207583.db2.gz PIBSPRURQFCXPB-MRXNPFEDSA-N 2 0 297.443 1.040 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccsc1 ZINC001378306185 975324946 /nfs/dbraw/zinc/32/49/46/975324946.db2.gz UVIJXBJYUVUOJE-ZIAGYGMSSA-N 2 0 295.452 1.827 10 0 CDAERP C[NH+](C)CCC(=O)NCCC1CC[NH+](CCCF)CC1 ZINC001378478761 975359469 /nfs/dbraw/zinc/35/94/69/975359469.db2.gz IZSARYDYGOYPSP-UHFFFAOYSA-N 2 0 287.423 1.516 10 0 CDAERP C[N@H+](C/C=C\Cl)C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001404590591 975429026 /nfs/dbraw/zinc/42/90/26/975429026.db2.gz QBOCUBURNKFYHW-SDQPKGBYSA-N 2 0 299.846 1.615 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CC)C(C)(C)C1 ZINC001507450841 975474544 /nfs/dbraw/zinc/47/45/44/975474544.db2.gz JYSCSUNNPNJECE-ZDUSSCGKSA-N 2 0 269.433 1.565 10 0 CDAERP CCC(CC)C[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001401254505 975550675 /nfs/dbraw/zinc/55/06/75/975550675.db2.gz DUPVWRYBKHKQKO-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC[C@H](C)F)C1)[NH+](C)C ZINC001405022740 975573279 /nfs/dbraw/zinc/57/32/79/975573279.db2.gz BBFOZXIKVXLMDH-AVGNSLFASA-N 2 0 273.396 1.265 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C[NH2+]CC)C1CC1 ZINC001379020522 975600347 /nfs/dbraw/zinc/60/03/47/975600347.db2.gz KZJKSXLYPSMXGV-HUUCEWRRSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001401360521 975612331 /nfs/dbraw/zinc/61/23/31/975612331.db2.gz ZVPNBLWPBXVGTC-STQMWFEESA-N 2 0 273.396 1.219 10 0 CDAERP CC[NH2+]C1CC(N(C)C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001508132748 975618174 /nfs/dbraw/zinc/61/81/74/975618174.db2.gz ATKDLTPKXFXJBD-RUXDESIVSA-N 2 0 269.433 1.706 10 0 CDAERP CC[N@H+](C)CCN(C)C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001379100129 975663122 /nfs/dbraw/zinc/66/31/22/975663122.db2.gz RGAMTCAIBVMSOG-HNNXBMFYSA-N 2 0 287.423 1.609 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]C(C)C ZINC001401574861 975706977 /nfs/dbraw/zinc/70/69/77/975706977.db2.gz AWMCVKMFCILWAE-HUUCEWRRSA-N 2 0 283.460 2.000 10 0 CDAERP C[C@@H](C[N@H+](C)CCCF)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001401773283 975895660 /nfs/dbraw/zinc/89/56/60/975895660.db2.gz CFOKWRXMNXYJJY-OLZOCXBDSA-N 2 0 273.396 1.124 10 0 CDAERP C[C@@H](C[NH2+]C[C@@H]1CC(C)(C)CO1)N(C)C(=O)CC[NH+](C)C ZINC001405845685 975903947 /nfs/dbraw/zinc/90/39/47/975903947.db2.gz BVJSHVRLTIWGPV-KBPBESRZSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001398297617 975933801 /nfs/dbraw/zinc/93/38/01/975933801.db2.gz DMVAWDGIQHQJAO-OWCLPIDISA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@H](C(=O)N[C@@]12CCC[C@@H]1[N@H+](CCOC)CC2)[NH+](C)C ZINC001379615335 975952267 /nfs/dbraw/zinc/95/22/67/975952267.db2.gz CSPJCBGHWRIVOE-IJEWVQPXSA-N 2 0 297.443 1.086 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001389986730 976076027 /nfs/dbraw/zinc/07/60/27/976076027.db2.gz KAVYMVLPCZPYCM-MELADBBJSA-N 2 0 281.444 1.611 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CC[C@@](C)(NC(=O)Cn2ccnc2)C1 ZINC001402128494 976135962 /nfs/dbraw/zinc/13/59/62/976135962.db2.gz PRLIRYUFPZQWFJ-TZMCWYRMSA-N 2 0 282.363 1.212 10 0 CDAERP CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1CC1CCCC1)[NH+](C)C ZINC001380022674 976195290 /nfs/dbraw/zinc/19/52/90/976195290.db2.gz LDNUSNBCVIBDDA-GJZGRUSLSA-N 2 0 281.444 1.707 10 0 CDAERP CCCN(C(=O)C12CC[NH+](CC1)C2)C1CC[NH+](CC)CC1 ZINC001402250991 976202875 /nfs/dbraw/zinc/20/28/75/976202875.db2.gz WNCZIOWGJXQOFB-UHFFFAOYSA-N 2 0 293.455 1.805 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(Cl)cc1 ZINC001399028155 976296562 /nfs/dbraw/zinc/29/65/62/976296562.db2.gz MDMNALSKWDMSFC-GFCCVEGCSA-N 2 0 297.830 1.886 10 0 CDAERP CC[C@@H](C)C[N@H+](C)C[C@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001406641547 976322536 /nfs/dbraw/zinc/32/25/36/976322536.db2.gz XTJMQYCHYROAHU-KGLIPLIRSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)(C(=O)NC[C@H]1CC[N@@H+]1CC1CC1)[NH+]1CCCC1 ZINC001406833647 976431291 /nfs/dbraw/zinc/43/12/91/976431291.db2.gz DYVNTWJTOAMOPT-CQSZACIVSA-N 2 0 279.428 1.461 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH+](C)C[C@H]1CCOC1 ZINC001402676204 976438423 /nfs/dbraw/zinc/43/84/23/976438423.db2.gz MODYQCKJTXCUBV-OAHLLOKOSA-N 2 0 299.459 1.143 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC2([NH2+]CCF)CC2)C1 ZINC001406986344 976503916 /nfs/dbraw/zinc/50/39/16/976503916.db2.gz HZPZCPQQNCNWAI-OLZOCXBDSA-N 2 0 285.407 1.315 10 0 CDAERP CC1(NC(=O)C[NH+]2CCCC2)CC[NH+](CCC2CC2)CC1 ZINC001407132305 976565704 /nfs/dbraw/zinc/56/57/04/976565704.db2.gz OGGBTTBPCFTXFQ-UHFFFAOYSA-N 2 0 293.455 1.853 10 0 CDAERP CC[N@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)CCC(C)C ZINC001390965197 976623964 /nfs/dbraw/zinc/62/39/64/976623964.db2.gz WCFVQNXSCKFQNK-HNNXBMFYSA-N 2 0 283.460 1.812 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cccc(F)c1 ZINC001403145964 976761488 /nfs/dbraw/zinc/76/14/88/976761488.db2.gz VPRDJNWGYXTJQD-TZMCWYRMSA-N 2 0 293.386 1.372 10 0 CDAERP COCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001403196239 976808087 /nfs/dbraw/zinc/80/80/87/976808087.db2.gz QAQKQMXXVNUTNO-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP CN(CCC[N@H+](C)CC1CC1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001407903730 976825607 /nfs/dbraw/zinc/82/56/07/976825607.db2.gz KRLDGTJWQGSXIV-INIZCTEOSA-N 2 0 293.455 1.519 10 0 CDAERP CCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H]1CC[N@H+](CCCO)C1 ZINC001400133608 976877406 /nfs/dbraw/zinc/87/74/06/976877406.db2.gz AZFRECCERCHVRR-LSDHHAIUSA-N 2 0 299.459 1.022 10 0 CDAERP CC[C@@H](C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001408074917 976898310 /nfs/dbraw/zinc/89/83/10/976898310.db2.gz DKYSWQNLJGAIPD-RBSFLKMASA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC2CCC2)CC1(C)C)[NH+](C)C ZINC001403351711 976903035 /nfs/dbraw/zinc/90/30/35/976903035.db2.gz AFDKSTWCCWZLQJ-HUUCEWRRSA-N 2 0 295.471 1.953 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]CCF)CC1 ZINC001408115380 976923426 /nfs/dbraw/zinc/92/34/26/976923426.db2.gz QHCAKPOILDMWFC-CQSZACIVSA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)[C@H](CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCF ZINC001381722091 976989929 /nfs/dbraw/zinc/98/99/29/976989929.db2.gz XYIRXIIMOXECPL-KBPBESRZSA-N 2 0 287.423 1.370 10 0 CDAERP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](C[C@@H]2CCCCO2)C1 ZINC001391620767 976996647 /nfs/dbraw/zinc/99/66/47/976996647.db2.gz MJUOGXLIMXVSRV-GJZGRUSLSA-N 2 0 297.443 1.040 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCC(C)(C)C ZINC001403527138 977031400 /nfs/dbraw/zinc/03/14/00/977031400.db2.gz NZVVAOZUIZUAGX-UONOGXRCSA-N 2 0 283.460 1.953 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)COC)CC1(C)C ZINC001381869057 977064221 /nfs/dbraw/zinc/06/42/21/977064221.db2.gz HZZLLOUNGWNTSD-UONOGXRCSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@H](F)CC[NH+]1CC(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001400503225 977064463 /nfs/dbraw/zinc/06/44/63/977064463.db2.gz NVHWZWZBLWKKMV-DZGCQCFKSA-N 2 0 299.434 1.657 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001391860533 977119688 /nfs/dbraw/zinc/11/96/88/977119688.db2.gz BYYKVQWITRYMEJ-ZIAGYGMSSA-N 2 0 299.434 1.657 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001391867170 977121381 /nfs/dbraw/zinc/12/13/81/977121381.db2.gz XMWZHVUOBUNTDX-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP CN(C(=O)C[NH+]1CCCC1)[C@@H](C[NH2+]CC1CC1)C1CC1 ZINC001382032637 977128749 /nfs/dbraw/zinc/12/87/49/977128749.db2.gz STQXCHYFEKFZAY-HNNXBMFYSA-N 2 0 279.428 1.319 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C[NH2+]CC1CCC1)C1CC1 ZINC001382044528 977135191 /nfs/dbraw/zinc/13/51/91/977135191.db2.gz SFQMBBFKFSBGHK-MRXNPFEDSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001400683337 977137664 /nfs/dbraw/zinc/13/76/64/977137664.db2.gz CGUXLIXISJYHCI-HUUCEWRRSA-N 2 0 299.434 1.801 10 0 CDAERP Cc1cc(C[NH2+]C[C@@H](C)CNC(=O)C[N@H+](C)C(C)C)no1 ZINC001391957212 977161709 /nfs/dbraw/zinc/16/17/09/977161709.db2.gz BPAREOZVNABVTL-GFCCVEGCSA-N 2 0 296.415 1.165 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+]CC1CCCC1 ZINC001382140021 977184578 /nfs/dbraw/zinc/18/45/78/977184578.db2.gz GXJJMYGXAHANGY-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001392138849 977233213 /nfs/dbraw/zinc/23/32/13/977233213.db2.gz QMDPWPNSWRDRGE-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)C[C@H](C[NH2+]CC1CC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001392151602 977236468 /nfs/dbraw/zinc/23/64/68/977236468.db2.gz SCSVGENDIUAQKJ-CABCVRRESA-N 2 0 281.444 1.611 10 0 CDAERP CC[NH2+]CC1(NC(=O)COC2CC[NH+](C)CC2)CCCC1 ZINC001400963391 977255912 /nfs/dbraw/zinc/25/59/12/977255912.db2.gz AIXXIMBQGXLFGH-UHFFFAOYSA-N 2 0 297.443 1.136 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]1CC[N@H+](CCC2CC2)C1)[NH+](C)C ZINC001404070417 977326091 /nfs/dbraw/zinc/32/60/91/977326091.db2.gz LXSWTQOSCBMMBS-LSDHHAIUSA-N 2 0 281.444 1.565 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001404073554 977329375 /nfs/dbraw/zinc/32/93/75/977329375.db2.gz RJRKVFUXSHIQCN-CQSZACIVSA-N 2 0 283.460 1.812 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001392316231 977405008 /nfs/dbraw/zinc/40/50/08/977405008.db2.gz AOBKBLNQPWNKSS-ZIAGYGMSSA-N 2 0 287.423 1.467 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N[C@]2(C)CC[NH+](CC3CC3)C2)C1 ZINC001393116636 977708652 /nfs/dbraw/zinc/70/86/52/977708652.db2.gz GVPLZDMUIDYXDG-GDBMZVCRSA-N 2 0 279.428 1.319 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCCF ZINC001393468065 977796094 /nfs/dbraw/zinc/79/60/94/977796094.db2.gz UJBPIGNWOGYTMY-CABCVRRESA-N 2 0 299.434 1.752 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)C[N@H+](C)C(C)C)CCC1 ZINC001393568570 977840391 /nfs/dbraw/zinc/84/03/91/977840391.db2.gz JNEFQWLIEQLMNT-CYBMUJFWSA-N 2 0 287.423 1.703 10 0 CDAERP CCCC[C@H](C[NH2+]C(C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001394199366 978101528 /nfs/dbraw/zinc/10/15/28/978101528.db2.gz BBPNYLUNSVZBEG-RBSFLKMASA-N 2 0 283.460 2.000 10 0 CDAERP CC(C)CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001394224570 978109636 /nfs/dbraw/zinc/10/96/36/978109636.db2.gz ZRWFOVHXDSCXFW-GOEBONIOSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N(C)C1CC([NH2+]CC[C@H](C)F)C1 ZINC001394861801 978287650 /nfs/dbraw/zinc/28/76/50/978287650.db2.gz QTXGHLNJKJIHJN-HSBZDZAISA-N 2 0 287.423 1.654 10 0 CDAERP CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]1C ZINC001674153851 1173919210 /nfs/dbraw/zinc/91/92/10/1173919210.db2.gz JABFZEGAOMQCDJ-STQMWFEESA-N 2 0 255.406 1.316 10 0 CDAERP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCCF)C2)CC[N@@H+]1C ZINC001675745704 1174143962 /nfs/dbraw/zinc/14/39/62/1174143962.db2.gz LCIRBWMDNYTETL-AAVRWANBSA-N 2 0 285.407 1.171 10 0 CDAERP CC(C)CC[NH2+][C@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001676413331 1174223143 /nfs/dbraw/zinc/22/31/43/1174223143.db2.gz LEWJGRQHNZCHKK-CYBMUJFWSA-N 2 0 257.422 1.421 10 0 CDAERP CCCC[NH2+]C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001570093764 1170077452 /nfs/dbraw/zinc/07/74/52/1170077452.db2.gz SUVFIQJNLSPFIJ-OAHLLOKOSA-N 2 0 281.444 1.853 10 0 CDAERP CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001656089802 1171761524 /nfs/dbraw/zinc/76/15/24/1171761524.db2.gz WZBSMOFUTUYINX-CYBMUJFWSA-N 2 0 255.406 1.271 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000601045762 342461073 /nfs/dbraw/zinc/46/10/73/342461073.db2.gz OBKPXFORZIRVMY-ZFWWWQNUSA-N 2 0 281.444 1.707 10 0 CDAERP C[NH2+]Cc1ccccc1C[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000650720027 398160509 /nfs/dbraw/zinc/16/05/09/398160509.db2.gz CHNQRGXSRIYZSB-UONOGXRCSA-N 3 0 261.413 1.884 10 0 CDAERP CCO[C@H](C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)C1CC1 ZINC000625262097 342059767 /nfs/dbraw/zinc/05/97/67/342059767.db2.gz COYIFIDAHFANHS-QBPKDAKJSA-N 2 0 296.455 1.985 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000216155037 282119308 /nfs/dbraw/zinc/11/93/08/282119308.db2.gz XUKLNYVBIFRIIK-XQQFMLRXSA-N 2 0 253.390 1.057 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000617014787 342606991 /nfs/dbraw/zinc/60/69/91/342606991.db2.gz PLFROPVJJZJZKO-GFCCVEGCSA-N 2 0 255.406 1.316 10 0 CDAERP O=C(CN1CCC[C@@H](n2ccnc2)C1)NC1CCCCC1 ZINC000591082229 342616538 /nfs/dbraw/zinc/61/65/38/342616538.db2.gz DOFOLJDVVFMLAB-OAHLLOKOSA-N 2 0 290.411 1.969 10 0 CDAERP C[C@@H]1C[C@@H]1C[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000625463577 342171246 /nfs/dbraw/zinc/17/12/46/342171246.db2.gz MGBURORMVQMLGV-TZMCWYRMSA-N 2 0 252.402 1.469 10 0 CDAERP CCC(CC)[C@H](CNC(=O)C[C@H](C[NH3+])OC)[NH+]1CCCC1 ZINC000262916838 361884327 /nfs/dbraw/zinc/88/43/27/361884327.db2.gz RJDHHSJTEYTRBH-CABCVRRESA-N 2 0 299.459 1.367 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)CCc1ccc(F)cc1 ZINC000629392646 361908761 /nfs/dbraw/zinc/90/87/61/361908761.db2.gz QYGYNAMVYPILLG-ZDUSSCGKSA-N 2 0 268.376 1.972 10 0 CDAERP [NH3+]CCCOCC[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000629399891 361936628 /nfs/dbraw/zinc/93/66/28/361936628.db2.gz YHBHFIUMZZWAFV-UHFFFAOYSA-N 2 0 292.427 1.001 10 0 CDAERP CC(C)[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)C1CC1 ZINC000151337377 539073593 /nfs/dbraw/zinc/07/35/93/539073593.db2.gz BZPMDOILBTWXBF-HUUCEWRRSA-N 2 0 254.418 1.857 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCOCCC[NH3+])C[C@@H]1C ZINC000600681129 342242196 /nfs/dbraw/zinc/24/21/96/342242196.db2.gz XNOQUGLGMTXHAO-BFHYXJOUSA-N 2 0 286.416 1.309 10 0 CDAERP c1cc(C[NH2+]CCN2CCCCC2)n(-c2cc[nH+]cc2)n1 ZINC000657305421 539107676 /nfs/dbraw/zinc/10/76/76/539107676.db2.gz OXSCKPXPVSKGJL-UHFFFAOYSA-N 2 0 285.395 1.843 10 0 CDAERP CC[NH+]1CCC[C@H]1CN(C)C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000176400957 539134872 /nfs/dbraw/zinc/13/48/72/539134872.db2.gz GQXCUWGPVKSHRD-GJZGRUSLSA-N 2 0 296.459 1.596 10 0 CDAERP C[C@H](CSCCF)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000595008561 342990051 /nfs/dbraw/zinc/99/00/51/342990051.db2.gz VJWSUXWLLJJFBD-CYBMUJFWSA-N 2 0 291.480 1.693 10 0 CDAERP C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]Cc3ccccc32)C1 ZINC000087619437 282199132 /nfs/dbraw/zinc/19/91/32/282199132.db2.gz UUUWCMRTJPIMKE-UKRRQHHQSA-N 2 0 273.380 1.036 10 0 CDAERP CC(C)[NH+]1CCC(Nc2nc(N)[nH+]c3c2CCCC3)CC1 ZINC000645100847 362114381 /nfs/dbraw/zinc/11/43/81/362114381.db2.gz QOMYACNFROWPGY-UHFFFAOYSA-N 2 0 289.427 1.475 10 0 CDAERP CSC[C@H]1CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000595893621 343182609 /nfs/dbraw/zinc/18/26/09/343182609.db2.gz REAQEENDPBPYGA-VXGBXAGGSA-N 2 0 256.415 1.335 10 0 CDAERP Cc1ccccc1C[N@@H+]1C[C@H](CO)C2(C1)CC[NH2+]CC2 ZINC000169782184 362120462 /nfs/dbraw/zinc/12/04/62/362120462.db2.gz DSAUSKAJYBMRRI-MRXNPFEDSA-N 2 0 274.408 1.789 10 0 CDAERP Cn1ncc(C(F)(F)F)c1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000629513962 362128640 /nfs/dbraw/zinc/12/86/40/362128640.db2.gz NOFFMJPZALDSDK-WCBMZHEXSA-N 2 0 276.306 1.656 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC23CC(C2)C[NH2+]3)C[C@@H]1C ZINC000596110768 343229978 /nfs/dbraw/zinc/22/99/78/343229978.db2.gz UHDADPLMMSAMKL-NSVFMMHJSA-N 2 0 280.412 1.696 10 0 CDAERP Cc1ccc(C[NH+]2CCC3(C[N@H+](C)C[C@H]3CO)CC2)o1 ZINC000169791316 362140192 /nfs/dbraw/zinc/14/01/92/362140192.db2.gz CZDWBMUINNOELW-AWEZNQCLSA-N 2 0 278.396 1.724 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000629530980 362160340 /nfs/dbraw/zinc/16/03/40/362160340.db2.gz WRXWUUALNJAZAU-QLFBSQMISA-N 2 0 270.417 1.407 10 0 CDAERP C(C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)OC1CCOCC1 ZINC000629533074 362170396 /nfs/dbraw/zinc/17/03/96/362170396.db2.gz GLTJIJLIEKGXRO-HUUCEWRRSA-N 2 0 282.428 1.504 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)C[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000054308637 343800032 /nfs/dbraw/zinc/80/00/32/343800032.db2.gz BIHHPCBPKXRISB-GOEBONIOSA-N 2 0 289.423 1.795 10 0 CDAERP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000250645641 344048967 /nfs/dbraw/zinc/04/89/67/344048967.db2.gz VDZIPDLJUSIALL-TUVASFSCSA-N 2 0 279.428 1.365 10 0 CDAERP C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(-n3ccnc3)ccn2)C1 ZINC000536653208 282337314 /nfs/dbraw/zinc/33/73/14/282337314.db2.gz BGSUMPKXHSLHRK-ZDUSSCGKSA-N 2 0 299.378 1.339 10 0 CDAERP C[C@@H](CN1CCCC1=O)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623364161 346092252 /nfs/dbraw/zinc/09/22/52/346092252.db2.gz WGBKOTWLEAEQBD-QWHCGFSZSA-N 2 0 267.417 1.460 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@]2([NH+](C)C)CCSC2)CC[N@@H+]1C ZINC000631617960 362682285 /nfs/dbraw/zinc/68/22/85/362682285.db2.gz YWLAHFMDKKVZIS-GZBFAFLISA-N 2 0 299.484 1.270 10 0 CDAERP CS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000085376810 179044724 /nfs/dbraw/zinc/04/47/24/179044724.db2.gz RPUDVVNILSDADW-DZGCQCFKSA-N 2 0 296.436 1.697 10 0 CDAERP C(C[N@@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1)N1CCOCC1 ZINC000085403600 179052907 /nfs/dbraw/zinc/05/29/07/179052907.db2.gz XYAHHXVJUUZFRN-QGZVFWFLSA-N 2 0 295.471 1.563 10 0 CDAERP CN(C)C(=O)C[N@@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403501 179053395 /nfs/dbraw/zinc/05/33/95/179053395.db2.gz BDCVCJVYFHNURV-CQSZACIVSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000221582650 346368982 /nfs/dbraw/zinc/36/89/82/346368982.db2.gz WIVYATCIPSGIRY-JHJVBQTASA-N 2 0 255.406 1.077 10 0 CDAERP C[C@@H]1CCC[C@](CNC(=O)[C@@]2(C)CCC[NH2+]2)([NH+](C)C)C1 ZINC000227083775 346525081 /nfs/dbraw/zinc/52/50/81/346525081.db2.gz DBDHVBVDBLXVFZ-BMFZPTHFSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000227696763 346530560 /nfs/dbraw/zinc/53/05/60/346530560.db2.gz FQZDQDXFSGUEIV-TZMCWYRMSA-N 2 0 255.406 1.365 10 0 CDAERP C[C@@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)CN1CCOCC1 ZINC000623427161 346576220 /nfs/dbraw/zinc/57/62/20/346576220.db2.gz OLCFXLPBTDFICU-GJZGRUSLSA-N 2 0 283.460 1.417 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@]2(O)CCSC2)CC1(C)C ZINC000623439053 346756884 /nfs/dbraw/zinc/75/68/84/346756884.db2.gz UIGHZNXQOCWWTP-AAEUAGOBSA-N 2 0 258.431 1.317 10 0 CDAERP [NH3+][C@]1(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)CCOC1 ZINC000085871050 179193278 /nfs/dbraw/zinc/19/32/78/179193278.db2.gz ZIFODVGIJKLFHJ-MRXNPFEDSA-N 2 0 289.379 1.339 10 0 CDAERP CC[N@@H+]1CCN(C(=O)[C@H]2CCc3[nH]cnc3C2)C[C@@H]1C ZINC000612953129 347336911 /nfs/dbraw/zinc/33/69/11/347336911.db2.gz XVJCSQMSUCGYNZ-RYUDHWBXSA-N 2 0 276.384 1.067 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)N[C@]2(C)CC[NH2+]C2)CC1 ZINC000612896143 347319489 /nfs/dbraw/zinc/31/94/89/347319489.db2.gz OQDZOYWGIVVSFY-SSDMNJCBSA-N 2 0 282.432 1.158 10 0 CDAERP COC[C@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)OC ZINC000659842520 412536911 /nfs/dbraw/zinc/53/69/11/412536911.db2.gz BESFASNOXMFHHI-HNNXBMFYSA-N 2 0 270.417 1.456 10 0 CDAERP C[NH+](C)CCCN1CC[NH2+][C@](C)(c2ccccc2)C1 ZINC000086127422 179235377 /nfs/dbraw/zinc/23/53/77/179235377.db2.gz KBTQJVJIJJPTHP-INIZCTEOSA-N 2 0 261.413 1.759 10 0 CDAERP C[NH+]1CCC(N2CC[NH2+][C@H](Cc3ccccc3)C2)CC1 ZINC000086127488 179235827 /nfs/dbraw/zinc/23/58/27/179235827.db2.gz XZBBCFGTWVDELO-MRXNPFEDSA-N 2 0 273.424 1.597 10 0 CDAERP CC(C)C[C@@H]1CN([C@@H]2C[NH+]3CCC2CC3)CC[NH2+]1 ZINC000086124916 179235983 /nfs/dbraw/zinc/23/59/83/179235983.db2.gz ZWASIHJTGCVMPT-HUUCEWRRSA-N 2 0 251.418 1.401 10 0 CDAERP CC[N@@H+]1CC[C@@H](CN2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000086141861 179236678 /nfs/dbraw/zinc/23/66/78/179236678.db2.gz JCONXEFZCRGGQR-WBVHZDCISA-N 2 0 273.424 1.975 10 0 CDAERP C1C[C@@H]2[C@@H](N3CC[NH2+]C4(CCCCC4)C3)CC[N@@H+]2C1 ZINC000086145112 179237374 /nfs/dbraw/zinc/23/73/74/179237374.db2.gz MZIYHOJEMGGMMB-CABCVRRESA-N 2 0 263.429 1.831 10 0 CDAERP CC[C@H](C)[C@@H]1CN(CC2CC[NH+](C)CC2)CC[NH2+]1 ZINC000086145636 179237496 /nfs/dbraw/zinc/23/74/96/179237496.db2.gz QIICBZAUJVPVJC-ZFWWWQNUSA-N 2 0 253.434 1.648 10 0 CDAERP CC(C)[C@@H]1CN[C@@H](C)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086173676 179244073 /nfs/dbraw/zinc/24/40/73/179244073.db2.gz SYDZJAHAOMQGEU-ZFWWWQNUSA-N 2 0 253.434 1.647 10 0 CDAERP CC[C@@H]1CN[C@H](C)C[N@@H+]1CC1CC[NH+](CC)CC1 ZINC000086173685 179244673 /nfs/dbraw/zinc/24/46/73/179244673.db2.gz KFNUGFDBISIHKJ-UKRRQHHQSA-N 2 0 253.434 1.791 10 0 CDAERP C[C@H]1C[NH2+][C@@](C)(C2CC2)CN1C1CC[NH+](C)CC1 ZINC000086217804 179249604 /nfs/dbraw/zinc/24/96/04/179249604.db2.gz OPLFHUNWFKOMDC-SWLSCSKDSA-N 2 0 251.418 1.543 10 0 CDAERP CC(C)[C@H]1C[NH2+]C(C)(C)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086182578 179247660 /nfs/dbraw/zinc/24/76/60/179247660.db2.gz UCNRXFMEJRZORR-HUUCEWRRSA-N 2 0 265.445 1.789 10 0 CDAERP CC[NH+](CC)CCNC(=O)CC1CCC(C[NH3+])CC1 ZINC000104103973 185895324 /nfs/dbraw/zinc/89/53/24/185895324.db2.gz MYAOQOJBAGYKQZ-UHFFFAOYSA-N 2 0 269.433 1.600 10 0 CDAERP C[N@H+](CCN1CCN2CCOC[C@@H]2C1)Cc1ccccc1 ZINC000450738826 362879966 /nfs/dbraw/zinc/87/99/66/362879966.db2.gz PJORQYDNXUIQKW-KRWDZBQOSA-N 2 0 289.423 1.135 10 0 CDAERP C[C@@H]1CN(CC[N@H+](C)Cc2ccccc2)CC[NH+]1CCO ZINC000450780984 362907904 /nfs/dbraw/zinc/90/79/04/362907904.db2.gz RNMOUXBVDSQVOZ-MRXNPFEDSA-N 2 0 291.439 1.117 10 0 CDAERP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+][C@H]2C[C@H](C(N)=O)C2)C1 ZINC000623662990 349394295 /nfs/dbraw/zinc/39/42/95/349394295.db2.gz TUDWYYMPHIDZNX-DTZQCDIJSA-N 2 0 287.407 1.675 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000073812497 350048139 /nfs/dbraw/zinc/04/81/39/350048139.db2.gz SFIZABUOYBXOCO-HUUCEWRRSA-N 2 0 296.459 1.454 10 0 CDAERP CCOC(=O)[C@H](CC)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000251357111 350102881 /nfs/dbraw/zinc/10/28/81/350102881.db2.gz WFIORYKVPXXPMC-MCIONIFRSA-N 2 0 268.401 1.792 10 0 CDAERP CO[C@H](C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000659850530 412552849 /nfs/dbraw/zinc/55/28/49/412552849.db2.gz RZNVJWWGIRBWKE-SOUVJXGZSA-N 2 0 252.402 1.733 10 0 CDAERP C[C@@H]([NH2+]CCOCCC[NH3+])c1ccc(F)c(F)c1 ZINC000629539546 362957942 /nfs/dbraw/zinc/95/79/42/362957942.db2.gz MVYMDSIEKPDSJN-SNVBAGLBSA-N 2 0 258.312 1.981 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)CC[NH2+]1 ZINC000414694872 365966544 /nfs/dbraw/zinc/96/65/44/365966544.db2.gz GIJCHLUCEHXKPT-MXWKQRLJSA-N 2 0 266.307 1.374 10 0 CDAERP CN(C(=O)CC[C@@H]1CCC[NH2+]C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000621652633 350690791 /nfs/dbraw/zinc/69/07/91/350690791.db2.gz BCBWYGDACYRMAO-RDGKXADDSA-N 2 0 279.428 1.508 10 0 CDAERP O=C1[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCN1C1CCC1 ZINC000629556765 362986976 /nfs/dbraw/zinc/98/69/76/362986976.db2.gz YKNGQEJVSIGWAW-RMRHIDDWSA-N 2 0 277.412 1.118 10 0 CDAERP Cc1nn(C)c(C)c1CCC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629576255 363034322 /nfs/dbraw/zinc/03/43/22/363034322.db2.gz SOVPKXPGFJTVCY-OAHLLOKOSA-N 2 0 294.443 1.016 10 0 CDAERP COCC[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@H]1CCOC1 ZINC000414743697 366055743 /nfs/dbraw/zinc/05/57/43/366055743.db2.gz HOITTZAKUNIYKM-MCIONIFRSA-N 2 0 256.390 1.112 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N[C@@H]1CCC[NH+](CC)C1 ZINC000175361912 366080531 /nfs/dbraw/zinc/08/05/31/366080531.db2.gz CSAFCIZUAOGVQL-CQSZACIVSA-N 2 0 284.448 1.502 10 0 CDAERP CC(C)[NH+](CCNC(=O)[C@]12CCC[C@H]1C[NH2+]C2)C(C)C ZINC000634763344 358468742 /nfs/dbraw/zinc/46/87/42/358468742.db2.gz UMLDADFBXNPUND-HOCLYGCPSA-N 2 0 281.444 1.611 10 0 CDAERP O=C(NCC[NH+]1CCC1)NC1CC([NH+]2CCCCC2)C1 ZINC000355355161 366090917 /nfs/dbraw/zinc/09/09/17/366090917.db2.gz SWYUMDUCTWMITR-UHFFFAOYSA-N 2 0 280.416 1.008 10 0 CDAERP CCC[C@@H]([NH3+])C(=O)N1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000396393887 366093319 /nfs/dbraw/zinc/09/33/19/366093319.db2.gz UJRKOYPURVFGHC-GOEBONIOSA-N 2 0 289.423 1.847 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1cccc(C)c1C ZINC000629654216 363256045 /nfs/dbraw/zinc/25/60/45/363256045.db2.gz XANACFBJDNARTR-UHFFFAOYSA-N 2 0 250.386 1.971 10 0 CDAERP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2C)o1 ZINC000139157242 363295181 /nfs/dbraw/zinc/29/51/81/363295181.db2.gz ZKCISIHQOLFRJO-ZDUSSCGKSA-N 2 0 293.411 1.945 10 0 CDAERP CC[NH+]1CCC(C[NH2+][C@H]2CCC(=O)NC2(C)C)CC1 ZINC000644538210 366156606 /nfs/dbraw/zinc/15/66/06/366156606.db2.gz XMISCASAXVQVQE-ZDUSSCGKSA-N 2 0 267.417 1.365 10 0 CDAERP CCCC[NH+]1CCC([NH2+][C@H](CCC[NH3+])COC)CC1 ZINC000232959847 140225298 /nfs/dbraw/zinc/22/52/98/140225298.db2.gz CZQLECZTZHGEMP-OAHLLOKOSA-N 3 0 271.449 1.594 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@H](O)C2)[C@@H]2CCC[C@H]21 ZINC000353685551 283137987 /nfs/dbraw/zinc/13/79/87/283137987.db2.gz ISWHQQRIODYXKL-CAEXGNQWSA-N 2 0 252.402 1.610 10 0 CDAERP OCC[NH2+]CCC[NH2+]Cc1cccc2ccccc21 ZINC000013732663 356355551 /nfs/dbraw/zinc/35/55/51/356355551.db2.gz SOFXNNBLROEFOH-UHFFFAOYSA-N 2 0 258.365 1.901 10 0 CDAERP CN(Cc1ccc2c(c1)C[NH2+]CC2)C[C@H]1CCC[N@@H+]1C ZINC000211969390 356582096 /nfs/dbraw/zinc/58/20/96/356582096.db2.gz JQHACMXZCAWVJA-QGZVFWFLSA-N 2 0 273.424 1.858 10 0 CDAERP C[C@@](O)(C[C@@H](O)C[NH2+]CCC[NH+]1CCCCC1)C1CC1 ZINC000634638686 356617014 /nfs/dbraw/zinc/61/70/14/356617014.db2.gz SRFSODFFVHFIEZ-HZPDHXFCSA-N 2 0 284.444 1.364 10 0 CDAERP C[C@H](C[NH3+])C[NH2+]CCCCCCC[NH2+]C[C@H](C)C[NH3+] ZINC000013650040 356687466 /nfs/dbraw/zinc/68/74/66/356687466.db2.gz MWLSYIYLGQBHFG-HUUCEWRRSA-N 4 0 272.481 1.306 10 0 CDAERP CC[N@H+](CCNC(=O)N(C)CCC[NH+](C)C)C1CC1 ZINC000185910825 356982177 /nfs/dbraw/zinc/98/21/77/356982177.db2.gz QLUCYHYEVZMKNF-UHFFFAOYSA-N 2 0 270.421 1.064 10 0 CDAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000584102732 357153644 /nfs/dbraw/zinc/15/36/44/357153644.db2.gz JKBCHCJUBVIYLZ-PPWQZUPISA-N 2 0 294.443 1.301 10 0 CDAERP Cc1nccn1C[C@H]1CCC[N@@H+]1[C@H](C(N)=O)c1ccccc1 ZINC000154572627 363582207 /nfs/dbraw/zinc/58/22/07/363582207.db2.gz CDCVFIQNKBCEOS-CVEARBPZSA-N 2 0 298.390 1.883 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000091543197 357717614 /nfs/dbraw/zinc/71/76/14/357717614.db2.gz WKSWYZQITCBPTF-CABCVRRESA-N 2 0 281.444 1.694 10 0 CDAERP CN(C(=O)CCCC[NH+](C)C)[C@H]1C[NH+]2CCC1CC2 ZINC000558558887 357785501 /nfs/dbraw/zinc/78/55/01/357785501.db2.gz MBMCLEXNPBEGIL-AWEZNQCLSA-N 2 0 267.417 1.271 10 0 CDAERP Cc1nccn1CCCC[N@@H+](C)[C@H]1CCCCN(C)C1=O ZINC000634742968 358184595 /nfs/dbraw/zinc/18/45/95/358184595.db2.gz FBCQLBWAWXWDKN-HNNXBMFYSA-N 2 0 292.427 1.914 10 0 CDAERP C[NH+](C)CC(=O)N1CC[C@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000616569305 358200923 /nfs/dbraw/zinc/20/09/23/358200923.db2.gz IEEBZEKQTKPCQJ-ZIAGYGMSSA-N 2 0 279.359 1.031 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634745805 358201421 /nfs/dbraw/zinc/20/14/21/358201421.db2.gz TVJGUSATENIACL-XOUADPBQSA-N 2 0 279.428 1.317 10 0 CDAERP C[N@@H+](Cc1ccnc(Cl)n1)CC1CC[NH2+]CC1 ZINC000095071338 358672155 /nfs/dbraw/zinc/67/21/55/358672155.db2.gz VDERURKTSCUBQF-UHFFFAOYSA-N 2 0 254.765 1.561 10 0 CDAERP CC1CC[NH+](CCNC(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000054308628 358711983 /nfs/dbraw/zinc/71/19/83/358711983.db2.gz DXWDZUCGGUMAOK-AWEZNQCLSA-N 2 0 267.417 1.224 10 0 CDAERP c1ccc2c(NCCCN3CC[NH2+]CC3)cc[nH+]c2c1 ZINC000041721373 358899726 /nfs/dbraw/zinc/89/97/26/358899726.db2.gz ZICKMBIKWRQQCY-UHFFFAOYSA-N 2 0 270.380 1.942 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000070552845 358969330 /nfs/dbraw/zinc/96/93/30/358969330.db2.gz KHPJVVWZYFOJAU-CYBMUJFWSA-N 2 0 273.380 1.154 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC1CC1)C1CC1 ZINC001660660761 1172251745 /nfs/dbraw/zinc/25/17/45/1172251745.db2.gz XDXNLRDYVDQLHL-HNNXBMFYSA-N 2 0 279.428 1.461 10 0 CDAERP C[C@]1(C[NH+]2CCC(Nc3cccnn3)CC2)CC[NH2+]C1 ZINC000261936390 359095843 /nfs/dbraw/zinc/09/58/43/359095843.db2.gz DGVKZLOXXBIFPR-HNNXBMFYSA-N 2 0 275.400 1.353 10 0 CDAERP [NH3+]Cc1ccc(-c2noc(CC[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000262038227 359126510 /nfs/dbraw/zinc/12/65/10/359126510.db2.gz OVXUCZLPDKIYLK-GFCCVEGCSA-N 2 0 272.352 1.737 10 0 CDAERP O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262305841 359153189 /nfs/dbraw/zinc/15/31/89/359153189.db2.gz CFMFBLRVKUXBNO-QBYUYEEZSA-N 2 0 291.439 1.509 10 0 CDAERP CC(C)[NH+](CCCN[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)C(C)C ZINC000423000908 359710101 /nfs/dbraw/zinc/71/01/01/359710101.db2.gz CWTPZNLQHXVDGF-IRXDYDNUSA-N 2 0 297.487 1.852 10 0 CDAERP COc1cccc(CC[NH2+][C@H](C)CCCC[NH3+])n1 ZINC000423010324 359740234 /nfs/dbraw/zinc/74/02/34/359740234.db2.gz XMXWEVQCLSTDLG-GFCCVEGCSA-N 2 0 251.374 1.740 10 0 CDAERP CC1(C[NH+]2CCC(C[NH+]3CCCC3)CC2)COC1 ZINC000336717410 359766730 /nfs/dbraw/zinc/76/67/30/359766730.db2.gz TUIBMIPMAIVTIR-UHFFFAOYSA-N 2 0 252.402 1.831 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000348064781 359767668 /nfs/dbraw/zinc/76/76/68/359767668.db2.gz ABTDYANARSVQJU-CQSZACIVSA-N 2 0 267.417 1.413 10 0 CDAERP CC(C)C[N@H+](CCCNC(=O)C[NH+]1CC[C@H](C)C1)C1CC1 ZINC001660723036 1172266382 /nfs/dbraw/zinc/26/63/82/1172266382.db2.gz RVNJCUKIHIQVRH-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[C@@H](O)C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000336847042 359916867 /nfs/dbraw/zinc/91/68/67/359916867.db2.gz SYKGNGKXCKDPHY-KRWDZBQOSA-N 2 0 297.487 1.494 10 0 CDAERP C[C@H]1C[N@H+](CCCC2CC[NH2+]CC2)C[C@@H]1N(C)C ZINC000124293307 412696151 /nfs/dbraw/zinc/69/61/51/412696151.db2.gz YMOFJFVJIIQGDD-ZFWWWQNUSA-N 2 0 253.434 1.648 10 0 CDAERP [NH3+]Cc1ccc(CNC(=O)N2CC[NH+]3CCC2CC3)cc1 ZINC000335347687 359992451 /nfs/dbraw/zinc/99/24/51/359992451.db2.gz VAMYTIXSJAZZGB-UHFFFAOYSA-N 2 0 288.395 1.135 10 0 CDAERP CC[C@@]1(C(=O)N[C@H](CC(C)C)C[NH+](C)C)CC[NH2+]C1 ZINC000062891509 360008790 /nfs/dbraw/zinc/00/87/90/360008790.db2.gz YFBGAZWJADMYIY-UKRRQHHQSA-N 2 0 269.433 1.469 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOC2)[C@@H](C)C1 ZINC000348322122 360005015 /nfs/dbraw/zinc/00/50/15/360005015.db2.gz SIHYWNNSEHAYRH-ZNMIVQPWSA-N 2 0 270.417 1.502 10 0 CDAERP [NH3+][C@H]1C[C@@H](C(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000335453861 360203665 /nfs/dbraw/zinc/20/36/65/360203665.db2.gz GKFKKBWBTIRPJO-OKILXGFUSA-N 2 0 265.401 1.058 10 0 CDAERP C[C@@H]1CN(C(=O)CN2CC(C)(C)C2)CC[N@@H+](C2CCC2)C1 ZINC000515432458 360497085 /nfs/dbraw/zinc/49/70/85/360497085.db2.gz DPBDGGFXZAPYJF-AWEZNQCLSA-N 2 0 293.455 1.661 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000335611426 360547917 /nfs/dbraw/zinc/54/79/17/360547917.db2.gz CAUMNIAWTFXKKS-KGLIPLIRSA-N 2 0 296.459 1.500 10 0 CDAERP O=C(Nc1ccc2c(c1)C[NH2+]C2)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000335653845 360673333 /nfs/dbraw/zinc/67/33/33/360673333.db2.gz NAAZAFKWEOGNSM-UKRRQHHQSA-N 2 0 257.337 1.228 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](CC)CC ZINC000349058209 360724069 /nfs/dbraw/zinc/72/40/69/360724069.db2.gz PUVUYAZYJOXOIT-KGLIPLIRSA-N 2 0 269.433 1.707 10 0 CDAERP CC[N@H+](CC(=O)NC[C@H]1CC[NH+]1C1CCCCC1)C1CC1 ZINC000628545622 360732155 /nfs/dbraw/zinc/73/21/55/360732155.db2.gz WCMAHJNBLRAYDV-MRXNPFEDSA-N 2 0 293.455 1.994 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000626952424 360696404 /nfs/dbraw/zinc/69/64/04/360696404.db2.gz DTCNKORFUOYTGB-QLFBSQMISA-N 2 0 296.459 1.547 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000418056548 296022494 /nfs/dbraw/zinc/02/24/94/296022494.db2.gz KJQUFHOFTPYMQY-CHWSQXEVSA-N 2 0 292.427 1.326 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)c2ccc(C[NH3+])cc2)CC[N@@H+]1C ZINC000149284745 360950116 /nfs/dbraw/zinc/95/01/16/360950116.db2.gz IEKXDXWWNSVCCJ-BXUZGUMPSA-N 2 0 261.369 1.358 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000431722752 361038595 /nfs/dbraw/zinc/03/85/95/361038595.db2.gz MTLCFRYSRDCFLF-MRXNPFEDSA-N 2 0 293.455 1.805 10 0 CDAERP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)COC(C)(C)C)CC[C@H]21 ZINC000158574365 361292354 /nfs/dbraw/zinc/29/23/54/361292354.db2.gz MGBQRRQJGLVKQH-RBSFLKMASA-N 2 0 284.444 1.579 10 0 CDAERP CC[NH+](CC)CC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000519542558 361343122 /nfs/dbraw/zinc/34/31/22/361343122.db2.gz XOKYUJLGRKLSBI-JOCQHMNTSA-N 2 0 255.406 1.210 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158789962 361391387 /nfs/dbraw/zinc/39/13/87/361391387.db2.gz DQVJOGKWWHRCJG-HIFRSBDPSA-N 2 0 265.401 1.073 10 0 CDAERP CCOC(=O)COCC[N@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000351519171 361733422 /nfs/dbraw/zinc/73/34/22/361733422.db2.gz NQCKRGTXASTQFZ-UONOGXRCSA-N 2 0 286.416 1.371 10 0 CDAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000262862432 364058179 /nfs/dbraw/zinc/05/81/79/364058179.db2.gz UGJJHFYJLJVBHX-WFASDCNBSA-N 2 0 275.396 1.476 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000300103596 364124295 /nfs/dbraw/zinc/12/42/95/364124295.db2.gz UVDZLUJBZVDJTJ-CABCVRRESA-N 3 0 271.449 1.594 10 0 CDAERP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccccc1CC[NH3+] ZINC000566408400 370706676 /nfs/dbraw/zinc/70/66/76/370706676.db2.gz ZKDKXFVAEBSSOW-LRDDRELGSA-N 2 0 287.407 1.400 10 0 CDAERP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CC[C@H](C)[NH3+] ZINC000248897321 364342198 /nfs/dbraw/zinc/34/21/98/364342198.db2.gz XZXYPAJUUORYOY-RWMBFGLXSA-N 2 0 255.406 1.350 10 0 CDAERP C[C@H]([NH3+])[C@H]1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000582240503 364816089 /nfs/dbraw/zinc/81/60/89/364816089.db2.gz UAMGAROJMNKOAL-MELADBBJSA-N 2 0 267.417 1.447 10 0 CDAERP COCC[C@H](COC)[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000353650507 365357766 /nfs/dbraw/zinc/35/77/66/365357766.db2.gz RCWONYQXNULUSN-BZPMIXESSA-N 2 0 256.390 1.110 10 0 CDAERP C[C@@H](NC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@H](C)[NH3+] ZINC000416801915 296081420 /nfs/dbraw/zinc/08/14/20/296081420.db2.gz HGHTUGQJIXJJHL-SCRDCRAPSA-N 2 0 278.400 1.324 10 0 CDAERP CC(C)(C)CC(=O)N1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000643056823 365508646 /nfs/dbraw/zinc/50/86/46/365508646.db2.gz UMLWDUDYNSABFC-CQSZACIVSA-N 2 0 281.444 1.566 10 0 CDAERP COc1ccc(COCC[NH2+][C@H]2CN(C)C[C@H]2C)cc1 ZINC000357341685 366927948 /nfs/dbraw/zinc/92/79/48/366927948.db2.gz CNXQFHLIAKWHPK-CJNGLKHVSA-N 2 0 278.396 1.752 10 0 CDAERP COC[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)C1CC1 ZINC000397988596 367000332 /nfs/dbraw/zinc/00/03/32/367000332.db2.gz ZQCVSMIUNIYZRM-INIZCTEOSA-N 2 0 260.381 1.847 10 0 CDAERP C[C@H]1CC[C@H](NC(=O)NCCC2CC[NH+](C)CC2)C[NH2+]1 ZINC000626968813 367104232 /nfs/dbraw/zinc/10/42/32/367104232.db2.gz LOLPQVVXPTUTNO-JSGCOSHPSA-N 2 0 282.432 1.158 10 0 CDAERP FC(F)(F)CN1CCC([NH2+]CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000414839298 367155222 /nfs/dbraw/zinc/15/52/22/367155222.db2.gz MDQXTWJQDHYLIN-LBPRGKRZSA-N 2 0 293.377 1.992 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000626992072 367188924 /nfs/dbraw/zinc/18/89/24/367188924.db2.gz OZFSOWOAVRNQJZ-OLZOCXBDSA-N 2 0 270.421 1.158 10 0 CDAERP C[C@H]1CC[C@@H](NC(=O)NCC2(C[NH+](C)C)CCCC2)C[NH2+]1 ZINC000627013030 367236415 /nfs/dbraw/zinc/23/64/15/367236415.db2.gz BWNQCEUYNMCJED-UONOGXRCSA-N 2 0 296.459 1.548 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NC[C@]1(C)CCC[NH2+]C1)C2 ZINC000627084462 367403879 /nfs/dbraw/zinc/40/38/79/367403879.db2.gz BCYJKHJNXSWNEU-OAGGEKHMSA-N 2 0 294.443 1.017 10 0 CDAERP CC1=CC[N@H+](CCNC(=O)NC[C@@H](C)[NH+](C)C2CC2)CC1 ZINC000358181001 367496344 /nfs/dbraw/zinc/49/63/44/367496344.db2.gz BULAGKYZOJSIHG-CQSZACIVSA-N 2 0 294.443 1.420 10 0 CDAERP CC(C)[NH+](CCNC(=O)N[C@@H](C)[C@H](C)[NH3+])C(C)C ZINC000416798216 242144009 /nfs/dbraw/zinc/14/40/09/242144009.db2.gz BRUJYRSYOWHLTJ-RYUDHWBXSA-N 2 0 258.410 1.140 10 0 CDAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000416821482 242167158 /nfs/dbraw/zinc/16/71/58/242167158.db2.gz LXGWJPWHZKUVKR-KBPBESRZSA-N 2 0 296.459 1.548 10 0 CDAERP [NH3+]CCCNC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000417115907 242323701 /nfs/dbraw/zinc/32/37/01/242323701.db2.gz PGFRWBHGGRVNQK-OAHLLOKOSA-N 2 0 290.411 1.299 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000627238919 367802200 /nfs/dbraw/zinc/80/22/00/367802200.db2.gz RZEVGTVOZLVDEC-SOUVJXGZSA-N 2 0 294.443 1.397 10 0 CDAERP C[NH+](C)Cc1cccc(NC(=O)[C@@]2(C)C[NH2+]CCO2)c1 ZINC000638066651 367976900 /nfs/dbraw/zinc/97/69/00/367976900.db2.gz JQPGGTCBFDZGOF-OAHLLOKOSA-N 2 0 277.368 1.065 10 0 CDAERP CCCC[NH+]1CCC(N[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000360861440 368524540 /nfs/dbraw/zinc/52/45/40/368524540.db2.gz SCXVYKQMOZLQLH-DZGCQCFKSA-N 2 0 253.434 1.791 10 0 CDAERP C[C@@H](CNC(=O)N(C)CCC[NH+](C)C)[N@@H+]1CCCC[C@H]1C ZINC000541785430 368679072 /nfs/dbraw/zinc/67/90/72/368679072.db2.gz QCDUPISEZPQIND-CABCVRRESA-N 2 0 298.475 1.842 10 0 CDAERP CC(C)C[C@@H](C[NH3+])NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000638536549 370926980 /nfs/dbraw/zinc/92/69/80/370926980.db2.gz UXNSHITUEUIOLS-MJBXVCDLSA-N 2 0 282.432 1.001 10 0 CDAERP C[C@H](CCC[NH3+])NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000567268654 370939050 /nfs/dbraw/zinc/93/90/50/370939050.db2.gz NQTMRUILYDQBLB-CHWSQXEVSA-N 2 0 255.406 1.495 10 0 CDAERP CO[C@H]1CN(CCC[NH+]2CCCCC2)[C@@](C)(C[NH3+])C1 ZINC000630368248 368805758 /nfs/dbraw/zinc/80/57/58/368805758.db2.gz PUDKAOCOEUZUKS-HUUCEWRRSA-N 2 0 269.433 1.301 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000543641298 368942638 /nfs/dbraw/zinc/94/26/38/368942638.db2.gz MLNKRBGKABFGRC-KGLIPLIRSA-N 2 0 282.432 1.206 10 0 CDAERP CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420295788 244041661 /nfs/dbraw/zinc/04/16/61/244041661.db2.gz ASYNLPBGFQPLQL-KBPBESRZSA-N 2 0 267.417 1.319 10 0 CDAERP Cc1ccc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c(C)n1 ZINC000420349972 244124010 /nfs/dbraw/zinc/12/40/10/244124010.db2.gz RBFYSIVUWVZAAY-INIZCTEOSA-N 2 0 274.412 1.178 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCSCCCO)[C@H]2CCC[C@@H]21 ZINC000367593056 369195546 /nfs/dbraw/zinc/19/55/46/369195546.db2.gz GENHIGOBZCOXIQ-RDBSUJKOSA-N 2 0 272.458 1.564 10 0 CDAERP C[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)[NH+](C)C1CC1 ZINC000353506226 369426431 /nfs/dbraw/zinc/42/64/31/369426431.db2.gz XFUIYJBXUZEBFE-MIGQKNRLSA-N 2 0 265.445 1.932 10 0 CDAERP C[NH+](C)CC[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)C(C)(C)C ZINC000116537895 369428062 /nfs/dbraw/zinc/42/80/62/369428062.db2.gz DVGPIIJACDQIAP-KBPBESRZSA-N 2 0 298.475 1.746 10 0 CDAERP Cc1nccn1CCC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000368314461 369431000 /nfs/dbraw/zinc/43/10/00/369431000.db2.gz GICNVFORGWLCDE-HNNXBMFYSA-N 2 0 262.401 1.609 10 0 CDAERP Cc1nccn1CCCN(C)Cc1nnc(C)n1C ZINC000136291477 369822426 /nfs/dbraw/zinc/82/24/26/369822426.db2.gz CPJVURSWITWUKS-UHFFFAOYSA-N 2 0 262.361 1.151 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)C1CC1 ZINC000548419679 369849150 /nfs/dbraw/zinc/84/91/50/369849150.db2.gz GLIRSBIEIIEOSP-AVGNSLFASA-N 2 0 267.417 1.316 10 0 CDAERP O[C@@H](C[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)C[NH+]1CCCCC1 ZINC000638413206 369880424 /nfs/dbraw/zinc/88/04/24/369880424.db2.gz XXAIMQNIMZGBRU-XGUBFFRZSA-N 2 0 252.402 1.469 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000248023317 370101682 /nfs/dbraw/zinc/10/16/82/370101682.db2.gz OCZKHEPZUPOHHS-ILXRZTDVSA-N 2 0 281.444 1.613 10 0 CDAERP Cc1nn(C)c(Cl)c1C[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000370729204 370140496 /nfs/dbraw/zinc/14/04/96/370140496.db2.gz HAXQJQMUUFYBOQ-VIFPVBQESA-N 2 0 279.775 1.752 10 0 CDAERP c1ccc2c(NC[C@H]3C[NH2+]CCCO3)cc[nH+]c2c1 ZINC000389778973 370155878 /nfs/dbraw/zinc/15/58/78/370155878.db2.gz DKTXUFHIHCZISC-GFCCVEGCSA-N 2 0 257.337 1.447 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1CC[C@H]1CCC[NH2+]C1 ZINC000251883653 370203431 /nfs/dbraw/zinc/20/34/31/370203431.db2.gz UZMLWSJWBWIXRB-OAGGEKHMSA-N 2 0 265.445 1.935 10 0 CDAERP C[N@H+](CCNC(=O)CC[NH2+]C1CC1)C1CCCCC1 ZINC000565667370 370505523 /nfs/dbraw/zinc/50/55/23/370505523.db2.gz SSQZITBBOCADQN-UHFFFAOYSA-N 2 0 267.417 1.509 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCC2(CC[NH2+]2)CC1 ZINC000422565692 245116023 /nfs/dbraw/zinc/11/60/23/245116023.db2.gz ZQVUJASPWZQVJG-UHFFFAOYSA-N 2 0 297.406 1.904 10 0 CDAERP CC[C@@H]1C[C@@H](C[NH+]2CCC([NH2+]CCOC)CC2)CCO1 ZINC000565837065 370548459 /nfs/dbraw/zinc/54/84/59/370548459.db2.gz KRKGKSIVXCYKLX-GOEBONIOSA-N 2 0 284.444 1.892 10 0 CDAERP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCc1cnc(C2CC2)nc1 ZINC000566090942 370605119 /nfs/dbraw/zinc/60/51/19/370605119.db2.gz JOHGAJFXFGGYAS-KGLIPLIRSA-N 2 0 260.385 1.614 10 0 CDAERP CC(C)(CC[NH3+])NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000422616712 245138112 /nfs/dbraw/zinc/13/81/12/245138112.db2.gz IQNISPNCFQKATI-UHFFFAOYSA-N 2 0 282.432 1.430 10 0 CDAERP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NCCC[NH+]1CCCC1 ZINC000566193851 370642092 /nfs/dbraw/zinc/64/20/92/370642092.db2.gz RUDDZXUACQLPHH-LSDHHAIUSA-N 2 0 281.444 1.886 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000422739413 245199497 /nfs/dbraw/zinc/19/94/97/245199497.db2.gz LDODBLHIPMTSFZ-UKRRQHHQSA-N 3 0 253.434 1.839 10 0 CDAERP COc1cccc(N2CCC[C@@H]([NH2+][C@@H](C)C3C[NH2+]C3)C2)c1 ZINC000422764802 245227712 /nfs/dbraw/zinc/22/77/12/245227712.db2.gz QJGRMKQHDZVEKG-DZGCQCFKSA-N 2 0 289.423 1.862 10 0 CDAERP CN(C(=O)NCC1([NH3+])CCCCC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000567715613 371117396 /nfs/dbraw/zinc/11/73/96/371117396.db2.gz KTSOWOVZWJNHKP-AWEZNQCLSA-N 2 0 294.443 1.526 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC000569235300 371244579 /nfs/dbraw/zinc/24/45/79/371244579.db2.gz IANWKWXHBFZXSR-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP CCN1CCCC[C@H]1C[NH2+][C@H](CCC[NH3+])COC ZINC000422906094 245390566 /nfs/dbraw/zinc/39/05/66/245390566.db2.gz JCBYSJFJQPETRR-KGLIPLIRSA-N 2 0 257.422 1.204 10 0 CDAERP COC[C@@H](C)C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000582474399 372319166 /nfs/dbraw/zinc/31/91/66/372319166.db2.gz ZMIAHCXOFNASRJ-NFOMZHRRSA-N 2 0 269.433 1.075 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])C[C@H]1C ZINC000415018337 372784551 /nfs/dbraw/zinc/78/45/51/372784551.db2.gz QTCBRZHSWXQIIQ-NJMOYASZSA-N 2 0 256.390 1.680 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000333303333 205198686 /nfs/dbraw/zinc/19/86/86/205198686.db2.gz JEMNXTLEXRQGKV-ZFWWWQNUSA-N 2 0 296.459 1.406 10 0 CDAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000333451242 205330392 /nfs/dbraw/zinc/33/03/92/205330392.db2.gz XNWICEVYTZSUGY-MGPQQGTHSA-N 2 0 282.432 1.014 10 0 CDAERP C[NH2+]CCN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000423224606 245678304 /nfs/dbraw/zinc/67/83/04/245678304.db2.gz JMXDZXKLSREUGO-GDBMZVCRSA-N 2 0 261.413 1.706 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-c3c[nH]cn3)cc2)C1 ZINC000630938955 373424645 /nfs/dbraw/zinc/42/46/45/373424645.db2.gz ZNNRUQXJFUGTFQ-CQSZACIVSA-N 2 0 284.363 1.901 10 0 CDAERP C[NH+](C)CCCC[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000341519479 373757881 /nfs/dbraw/zinc/75/78/81/373757881.db2.gz RTWLJCAGYBFOOL-UHFFFAOYSA-N 2 0 290.455 1.977 10 0 CDAERP C[C@H]([NH3+])[C@H](C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000252880011 374185872 /nfs/dbraw/zinc/18/58/72/374185872.db2.gz YCOAWVSTYTYANQ-PBYDBYKOSA-N 2 0 253.390 1.101 10 0 CDAERP CN(C(=O)NCCC1(C[NH3+])CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000652231818 541924453 /nfs/dbraw/zinc/92/44/53/541924453.db2.gz HNIDWGGOXNRLRC-FUNVUKJBSA-N 2 0 280.416 1.040 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)NCC[NH+](C)C1CC1 ZINC000342641270 374358383 /nfs/dbraw/zinc/35/83/83/374358383.db2.gz VOGDSEHAXXEUTO-ZDUSSCGKSA-N 2 0 282.432 1.254 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000418568901 374411871 /nfs/dbraw/zinc/41/18/71/374411871.db2.gz HNEQUMRAKSLRGL-YCPHGPKFSA-N 2 0 294.443 1.112 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)[C@@H](C)C1 ZINC000418757175 374565684 /nfs/dbraw/zinc/56/56/84/374565684.db2.gz DLRMIOSQINJENW-XQLPTFJDSA-N 2 0 296.459 1.486 10 0 CDAERP C[C@@H]([NH3+])C(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638851725 375091972 /nfs/dbraw/zinc/09/19/72/375091972.db2.gz QNANICNTGNHIFX-ZBFHGGJFSA-N 2 0 289.423 1.895 10 0 CDAERP C([C@H]1CCCO1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000127160024 375047159 /nfs/dbraw/zinc/04/71/59/375047159.db2.gz GKVAQPMPXVNCMR-OAHLLOKOSA-N 2 0 252.402 1.973 10 0 CDAERP Cc1cn2c(n1)C[C@H](C(=O)N[C@H](C)C[N@H+](C)C(C)C)CC2 ZINC000627395473 375254667 /nfs/dbraw/zinc/25/46/67/375254667.db2.gz KTRJDASLOGLGDR-TZMCWYRMSA-N 2 0 292.427 1.599 10 0 CDAERP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)C(C)(C)C(F)F ZINC000657824684 542007447 /nfs/dbraw/zinc/00/74/47/542007447.db2.gz SUBIOHOJNDSNFK-LBPRGKRZSA-N 2 0 277.403 1.893 10 0 CDAERP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000417144413 375729559 /nfs/dbraw/zinc/72/95/59/375729559.db2.gz VONQQRHSPGZMAR-BYNSBNAKSA-N 2 0 292.427 1.007 10 0 CDAERP C[C@H]1C[C@@H](N2C[C@H]3C[NH2+]C[C@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000307217566 375819630 /nfs/dbraw/zinc/81/96/30/375819630.db2.gz GAHXJZWXWRTPAA-DZJNRPSUSA-N 2 0 285.435 1.801 10 0 CDAERP C[NH+](C)CC[C@](C)(O)CNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000419991085 376213091 /nfs/dbraw/zinc/21/30/91/376213091.db2.gz GNLJGSNCBBZFSD-HOCLYGCPSA-N 2 0 299.459 1.070 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@@]2(C)CCC[NH2+]2)CC1 ZINC000638976344 376324023 /nfs/dbraw/zinc/32/40/23/376324023.db2.gz XFGABXTYCSISCZ-CQSZACIVSA-N 2 0 267.417 1.461 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCC[NH+](C)C2)CC[N@@H+]1C ZINC000631487367 376304180 /nfs/dbraw/zinc/30/41/80/376304180.db2.gz IRGUMFIHGHYJBB-MELADBBJSA-N 2 0 267.417 1.269 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)N[C@@H](C)C[NH3+])CC1 ZINC000418622507 284580112 /nfs/dbraw/zinc/58/01/12/284580112.db2.gz UXLNBMJPWINPMF-LBPRGKRZSA-N 2 0 270.421 1.097 10 0 CDAERP C[C@@H]1CN(Cc2cnn(C(C)(C)C)c2)C[C@H]1C[NH3+] ZINC000631836541 376680969 /nfs/dbraw/zinc/68/09/69/376680969.db2.gz BCMJHKDDSUSPLE-DGCLKSJQSA-N 2 0 250.390 1.665 10 0 CDAERP CCOC(=O)c1csc(CC[NH2+][C@@H]2CN(C)C[C@@H]2C)n1 ZINC000344787910 376855165 /nfs/dbraw/zinc/85/51/65/376855165.db2.gz DWZAXPTUCSPYGN-WDEREUQCSA-N 2 0 297.424 1.402 10 0 CDAERP CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H](C)[C@@H](C)[NH3+])c1 ZINC000417414017 377020340 /nfs/dbraw/zinc/02/03/40/377020340.db2.gz YAYUTDAHCJOVTB-CHWSQXEVSA-N 2 0 292.427 1.673 10 0 CDAERP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)COC(C)(C)C)CC[C@@H]21 ZINC000248066010 377197482 /nfs/dbraw/zinc/19/74/82/377197482.db2.gz MGBQRRQJGLVKQH-KFWWJZLASA-N 2 0 284.444 1.579 10 0 CDAERP CN(C)[C@@H](C[NH2+][C@@H]1CCC[NH2+]CC1)c1ccco1 ZINC000128880926 377325560 /nfs/dbraw/zinc/32/55/60/377325560.db2.gz YPGXVZPHIJCRNO-OLZOCXBDSA-N 2 0 251.374 1.614 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000249070401 377390074 /nfs/dbraw/zinc/39/00/74/377390074.db2.gz XUWNBLMOIYTWTO-JALIKCBVSA-N 2 0 251.418 1.686 10 0 CDAERP O=C(N[C@@H]1CCCC[NH2+]C1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000334926556 377693434 /nfs/dbraw/zinc/69/34/34/377693434.db2.gz DWIMCLDNYGZKLG-KGLIPLIRSA-N 2 0 280.416 1.008 10 0 CDAERP CN(C(=O)NCC1([NH3+])CCCCCC1)C1CC([NH3+])C1 ZINC000334935756 377704800 /nfs/dbraw/zinc/70/48/00/377704800.db2.gz OWANUPNAQAYKKI-UHFFFAOYSA-N 2 0 268.405 1.169 10 0 CDAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C[C@H]1CCC[NH2+]1 ZINC000165644569 377932860 /nfs/dbraw/zinc/93/28/60/377932860.db2.gz GLJRGALAFPILGL-HZPDHXFCSA-N 2 0 289.423 1.418 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000193304246 378288056 /nfs/dbraw/zinc/28/80/56/378288056.db2.gz HTTYFWRMYPZARU-CHWSQXEVSA-N 2 0 269.433 1.741 10 0 CDAERP C[N@H+](CCc1cccs1)CC1CC[NH+](CCO)CC1 ZINC000069628531 378440023 /nfs/dbraw/zinc/44/00/23/378440023.db2.gz MLQYEDBQWBEBSW-UHFFFAOYSA-N 2 0 282.453 1.927 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NC(C)(C)C[NH+](C)C ZINC000457713357 252511082 /nfs/dbraw/zinc/51/10/82/252511082.db2.gz QSUFXOGCKPLICE-GFCCVEGCSA-N 2 0 272.437 1.356 10 0 CDAERP C[NH+](C)CCOc1ccc(C[NH2+][C@@H](CO)C2CCC2)cc1 ZINC000657559107 412895314 /nfs/dbraw/zinc/89/53/14/412895314.db2.gz VEDCYZFXGJJYDI-KRWDZBQOSA-N 2 0 292.423 1.878 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cnc2n1CCC2 ZINC000657573593 412907880 /nfs/dbraw/zinc/90/78/80/412907880.db2.gz QVLHQPOACNWCLW-AWEZNQCLSA-N 2 0 293.459 1.191 10 0 CDAERP CCC[NH+]1CCC(C[NH2+]Cc2c(C)nnn2CC)CC1 ZINC000449133376 250710105 /nfs/dbraw/zinc/71/01/05/250710105.db2.gz YDABSIBEDVFUOP-UHFFFAOYSA-N 2 0 279.432 1.818 10 0 CDAERP CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001662630708 1172571813 /nfs/dbraw/zinc/57/18/13/1172571813.db2.gz MPJBSLJFFQHQRQ-DZGCQCFKSA-N 2 0 279.428 1.176 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655932556 412948509 /nfs/dbraw/zinc/94/85/09/412948509.db2.gz XKEWDCVLSKMZIN-NXEZZACHSA-N 2 0 296.337 1.002 10 0 CDAERP COCC[NH2+][C@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001662983601 1172623707 /nfs/dbraw/zinc/62/37/07/1172623707.db2.gz FTLLXFCENKTFRB-HUUCEWRRSA-N 2 0 299.459 1.380 10 0 CDAERP C[N@@H+]1CCCC12CC[NH+](CC1(O)CCSCC1)CC2 ZINC000660167055 412972337 /nfs/dbraw/zinc/97/23/37/412972337.db2.gz LMVKXWLPWXADLP-UHFFFAOYSA-N 2 0 284.469 1.805 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCc2ccc(C[NH3+])cc2)C1 ZINC000655969277 412984096 /nfs/dbraw/zinc/98/40/96/412984096.db2.gz QNBLJCXNDUPNGT-GASCZTMLSA-N 2 0 290.411 1.285 10 0 CDAERP O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130251634 285221712 /nfs/dbraw/zinc/22/17/12/285221712.db2.gz NLDKVXSWWMWZHF-GUTXKFCHSA-N 2 0 287.407 1.969 10 0 CDAERP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000368613536 285290396 /nfs/dbraw/zinc/29/03/96/285290396.db2.gz KGYYTECWYTYXNT-HIFRSBDPSA-N 2 0 292.427 1.614 10 0 CDAERP CC(C)C[C@H]([NH3+])c1noc([C@@H]2C[NH2+]CCC2(F)F)n1 ZINC000647133086 390501897 /nfs/dbraw/zinc/50/18/97/390501897.db2.gz YRMRKFPBLPUWOU-IUCAKERBSA-N 2 0 274.315 1.828 10 0 CDAERP CC(C)[C@](C)(O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000160112716 390944264 /nfs/dbraw/zinc/94/42/64/390944264.db2.gz NKESRHJRKMVVEP-RBSFLKMASA-N 2 0 254.418 1.810 10 0 CDAERP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000648187266 390947216 /nfs/dbraw/zinc/94/72/16/390947216.db2.gz NJAZZJQXSUCUGL-LBPRGKRZSA-N 2 0 288.395 1.552 10 0 CDAERP O=C(N[C@H]1CC[NH2+]C12CCCC2)[C@H]1CC12CC[NH2+]CC2 ZINC000648209862 390952469 /nfs/dbraw/zinc/95/24/69/390952469.db2.gz DKDUKPBPTSREFN-OLZOCXBDSA-N 2 0 277.412 1.167 10 0 CDAERP C[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1C)[NH+]1CCC(C)CC1 ZINC000102000354 390956496 /nfs/dbraw/zinc/95/64/96/390956496.db2.gz XPCHVBWXYOCXLI-GJZGRUSLSA-N 2 0 296.459 1.500 10 0 CDAERP C[NH+](C)Cc1cc(CN[C@H]2CC[NH2+]C2)ccc1F ZINC000415113822 391027478 /nfs/dbraw/zinc/02/74/78/391027478.db2.gz SRSYCCAYGMREKC-ZDUSSCGKSA-N 2 0 251.349 1.339 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N2CCC(C[NH3+])CC2)CC1 ZINC000417753223 391031076 /nfs/dbraw/zinc/03/10/76/391031076.db2.gz STPLZYYQBOLJHB-UHFFFAOYSA-N 2 0 296.459 1.489 10 0 CDAERP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423584389 391059266 /nfs/dbraw/zinc/05/92/66/391059266.db2.gz DOAMVWORMIMJSZ-WDEREUQCSA-N 2 0 262.357 1.147 10 0 CDAERP CC(C)c1ncc2c(n1)CCN(Cc1ccnc(N)c1)C2 ZINC000527623462 391073660 /nfs/dbraw/zinc/07/36/60/391073660.db2.gz QQHXAFHRZDTKLH-UHFFFAOYSA-N 2 0 283.379 1.966 10 0 CDAERP CCn1nc2c(cc1=O)C[N@@H+](CCC1CC[NH2+]CC1)CC2 ZINC000647891625 391167365 /nfs/dbraw/zinc/16/73/65/391167365.db2.gz YQOFDRFBBWFALZ-UHFFFAOYSA-N 2 0 290.411 1.011 10 0 CDAERP CC[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCOCC2)CCO1 ZINC000648424460 391167443 /nfs/dbraw/zinc/16/74/43/391167443.db2.gz ZHJYSJHTHVXSGY-LSDHHAIUSA-N 2 0 270.417 1.646 10 0 CDAERP C[N@H+](CC1(C)COC1)[C@@H]1CCC[NH+](CC2(C)COC2)CC1 ZINC000338938822 391235010 /nfs/dbraw/zinc/23/50/10/391235010.db2.gz FKBFKZBNYRQXDT-OAHLLOKOSA-N 2 0 296.455 1.846 10 0 CDAERP [NH3+]CCCNC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418306427 391293961 /nfs/dbraw/zinc/29/39/61/391293961.db2.gz BCNUPENTQLGSBK-OAHLLOKOSA-N 2 0 286.379 1.488 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H](C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)C1 ZINC000186496105 391309279 /nfs/dbraw/zinc/30/92/79/391309279.db2.gz UESOBKZPHSOEKD-UPJWGTAASA-N 2 0 265.401 1.247 10 0 CDAERP CC(C)[C@@H]1CC[C@H]([NH2+]C[C@H](O)CN(C)C)C[C@H]1C ZINC000340084888 391404317 /nfs/dbraw/zinc/40/43/17/391404317.db2.gz GGHLYUYCEXXGBS-QPSCCSFWSA-N 2 0 256.434 1.959 10 0 CDAERP C[C@H](Nc1cnn(-c2cc[nH+]cc2)c1)[C@@H]1CCC[NH2+]1 ZINC000643469462 391479839 /nfs/dbraw/zinc/47/98/39/391479839.db2.gz XIRDHHBKWHURKK-FZMZJTMJSA-N 2 0 257.341 1.820 10 0 CDAERP C[C@H](NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C(C)(C)C[NH+](C)C ZINC000417861174 391516333 /nfs/dbraw/zinc/51/63/33/391516333.db2.gz XJRCLOMBRAZQDA-MELADBBJSA-N 2 0 296.459 1.499 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)C[N@@H+]1C1CC1 ZINC000417861214 391516402 /nfs/dbraw/zinc/51/64/02/391516402.db2.gz XSINLEZYQJKLFG-XUJVJEKNSA-N 2 0 292.427 1.148 10 0 CDAERP C[N@@H+]1CCC[C@@H]2CN([C@H]3CCN(C(C)(C)C)C3=O)CC[C@@H]21 ZINC000425416095 391555914 /nfs/dbraw/zinc/55/59/14/391555914.db2.gz GIZUAAPRQYHHGP-ILXRZTDVSA-N 2 0 293.455 1.802 10 0 CDAERP CN(CC(C)(C)C[NH3+])C(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000417810473 391497004 /nfs/dbraw/zinc/49/70/04/391497004.db2.gz ILAGURGUWWWHOC-NSHDSACASA-N 2 0 255.406 1.208 10 0 CDAERP CC[NH+](CC)CCC[N@H+](C[C@@H]1CCC(=O)N1)C(C)C ZINC000412074211 391578752 /nfs/dbraw/zinc/57/87/52/391578752.db2.gz JNCWLMUHFCWFIU-AWEZNQCLSA-N 2 0 269.433 1.707 10 0 CDAERP COc1ccc(C[C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])cc1OC ZINC000415011468 391722222 /nfs/dbraw/zinc/72/22/22/391722222.db2.gz HWUBUCMQBUNGLA-SRVKXCTJSA-N 2 0 266.385 1.960 10 0 CDAERP CCc1noc(C2CCC([NH2+][C@@H](C)[C@H](C)[NH3+])CC2)n1 ZINC000415015416 391724001 /nfs/dbraw/zinc/72/40/01/391724001.db2.gz MZTIFQDRZXIRMF-JYBOHDQNSA-N 2 0 266.389 1.984 10 0 CDAERP CC1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000120435944 391831255 /nfs/dbraw/zinc/83/12/55/391831255.db2.gz IERLMEUDHBSMEY-HUUCEWRRSA-N 2 0 281.444 1.659 10 0 CDAERP C[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000247421051 391899127 /nfs/dbraw/zinc/89/91/27/391899127.db2.gz KMJJMLCFNOQNKS-WFASDCNBSA-N 2 0 295.452 1.809 10 0 CDAERP CC[C@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)c1cnn(C)c1 ZINC000163220258 392038927 /nfs/dbraw/zinc/03/89/27/392038927.db2.gz LZNIIJZJONCDMR-OCCSQVGLSA-N 2 0 250.390 1.803 10 0 CDAERP C(C1CC[NH+](CC2CC[NH2+]CC2)CC1)[NH+]1CCCC1 ZINC000062031702 392125868 /nfs/dbraw/zinc/12/58/68/392125868.db2.gz WKTFXHZTCFUBFH-UHFFFAOYSA-N 3 0 265.445 1.794 10 0 CDAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CC1CC[NH2+]CC1 ZINC000251927441 392245045 /nfs/dbraw/zinc/24/50/45/392245045.db2.gz YLGCVAIJUDHYOF-JSGCOSHPSA-N 2 0 265.401 1.071 10 0 CDAERP Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])C2)n(C)n1 ZINC000423076674 392321167 /nfs/dbraw/zinc/32/11/67/392321167.db2.gz RQWOHYOXGHNTRR-DYEKYZERSA-N 2 0 279.432 1.413 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)CCCC[NH3+])C1 ZINC000423092349 392336815 /nfs/dbraw/zinc/33/68/15/392336815.db2.gz BMBFBQFALJETBW-UPJWGTAASA-N 2 0 256.390 1.825 10 0 CDAERP C([NH2+][C@H](C1CC1)[C@H]1CNCCO1)C1CC[NH+](C2CC2)CC1 ZINC000423091717 392336845 /nfs/dbraw/zinc/33/68/45/392336845.db2.gz YJRACUGMUZAZLR-IAGOWNOFSA-N 2 0 293.455 1.217 10 0 CDAERP CC[C@@H](Cn1cncn1)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423338880 392525558 /nfs/dbraw/zinc/52/55/58/392525558.db2.gz KZNSIDHPXMZINX-QWHCGFSZSA-N 2 0 251.378 1.036 10 0 CDAERP C[C@@H](CC[NH+](C)C)NC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662479046 413053246 /nfs/dbraw/zinc/05/32/46/413053246.db2.gz BORBDNULQCIJTA-WFASDCNBSA-N 2 0 275.396 1.677 10 0 CDAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000645889677 392474041 /nfs/dbraw/zinc/47/40/41/392474041.db2.gz WSHVFIRGQMRZKS-UKRRQHHQSA-N 2 0 283.335 1.205 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CCCC[NH+]2CCOCC2)[C@@H](C)O1 ZINC000449081051 392632929 /nfs/dbraw/zinc/63/29/29/392632929.db2.gz BJCKLTIPJBQIHI-MCIONIFRSA-N 2 0 256.390 1.254 10 0 CDAERP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@@H](C)C[NH3+])CC2 ZINC000516960560 392800575 /nfs/dbraw/zinc/80/05/75/392800575.db2.gz ZOKBWORXIVYGLS-MJBXVCDLSA-N 2 0 282.432 1.238 10 0 CDAERP Cc1csc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000130516960 392911143 /nfs/dbraw/zinc/91/11/43/392911143.db2.gz OUXZBZLKIFCDBC-ZDUSSCGKSA-N 2 0 297.468 1.976 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000521070829 392926748 /nfs/dbraw/zinc/92/67/48/392926748.db2.gz LZGQLSNYCWWMLO-XQQFMLRXSA-N 2 0 270.421 1.142 10 0 CDAERP CCC[C@@H](C(=O)NCC[N@H+](C)[C@@H](C)CC)[NH+](C)C ZINC000131277262 393016430 /nfs/dbraw/zinc/01/64/30/393016430.db2.gz IKKRNNLCJIGGMC-STQMWFEESA-N 2 0 257.422 1.563 10 0 CDAERP C[C@H]1C[C@H]([N@H+](C)CCOCC(F)F)CCN1C ZINC000189503911 393079045 /nfs/dbraw/zinc/07/90/45/393079045.db2.gz RHPDQXOXWIHELL-WDEREUQCSA-N 2 0 250.333 1.683 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)[C@H]1C ZINC000495081333 393174458 /nfs/dbraw/zinc/17/44/58/393174458.db2.gz SWEOHNRBUALDFX-XVLPMQGWSA-N 2 0 266.429 1.998 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCN1CC[C@](O)(C(F)F)C1 ZINC000451417591 393259696 /nfs/dbraw/zinc/25/96/96/393259696.db2.gz BYLAJHWNXQHRBP-DGCLKSJQSA-N 2 0 262.344 1.563 10 0 CDAERP C[C@@H]1CCC[C@](CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)([NH+](C)C)C1 ZINC000251762111 296493501 /nfs/dbraw/zinc/49/35/01/296493501.db2.gz KGCZFRXCLCEEIK-CTASWTNQSA-N 2 0 281.444 1.741 10 0 CDAERP Cc1ccc([C@H]([NH3+])C(=O)N2CCC([NH+](C)C)CC2)cc1 ZINC000228094884 140191147 /nfs/dbraw/zinc/19/11/47/140191147.db2.gz OVFTUTHZMCEDLM-HNNXBMFYSA-N 2 0 275.396 1.547 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000662507808 413078235 /nfs/dbraw/zinc/07/82/35/413078235.db2.gz RUIZZCVKTYQRPI-PQAZSJQKSA-N 2 0 267.417 1.350 10 0 CDAERP CO[C@@H]1CCC[C@@H]([NH2+][C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000684378072 483317222 /nfs/dbraw/zinc/31/72/22/483317222.db2.gz YCCTYYDUTDJSAQ-RRFJBIMHSA-N 2 0 269.433 1.170 10 0 CDAERP CC(C)=CC[N@H+](CCNC(=O)Cn1ccnc1C)C1CC1 ZINC001663777774 1172761811 /nfs/dbraw/zinc/76/18/11/1172761811.db2.gz UIGUUIPXYDZICQ-UHFFFAOYSA-N 2 0 290.411 1.738 10 0 CDAERP CCC[NH2+][C@@H](C)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662591966 413156756 /nfs/dbraw/zinc/15/67/56/413156756.db2.gz CBISCFWCAYIVDH-ZFWWWQNUSA-N 2 0 281.444 1.613 10 0 CDAERP CCCCNc1cc(N2C[C@H]3CCC[C@@H](C2)[NH2+]3)nc(N)n1 ZINC000420235747 397684159 /nfs/dbraw/zinc/68/41/59/397684159.db2.gz IYPIBVAESWUZJZ-TXEJJXNPSA-N 2 0 290.415 1.432 10 0 CDAERP CN(C(=O)CC(C)(C)[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381899685 397768752 /nfs/dbraw/zinc/76/87/52/397768752.db2.gz VSMSCSHHIVWSSA-OAHLLOKOSA-N 2 0 289.423 1.847 10 0 CDAERP COCc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)o1 ZINC000382711680 397848655 /nfs/dbraw/zinc/84/86/55/397848655.db2.gz FFYNFSAZKPLNDQ-ZLKJLUDKSA-N 2 0 250.342 1.595 10 0 CDAERP Cc1n[nH]cc1[C@@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000658105826 413203954 /nfs/dbraw/zinc/20/39/54/413203954.db2.gz FBTRVLHSMDIJEI-QWHCGFSZSA-N 2 0 281.448 1.641 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000097092302 147120409 /nfs/dbraw/zinc/12/04/09/147120409.db2.gz IJLDVNYUPBREDR-MCIONIFRSA-N 2 0 267.417 1.495 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C1CCC(O)CC1 ZINC000658108699 413211746 /nfs/dbraw/zinc/21/17/46/413211746.db2.gz QXGGPMWSUQRHLO-NFOMZHRRSA-N 2 0 271.449 1.152 10 0 CDAERP CCC(C)(C)[NH+]1CCN(C(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000654395424 413224217 /nfs/dbraw/zinc/22/42/17/413224217.db2.gz MOJNKHZLFRPPGI-AWEZNQCLSA-N 2 0 296.459 1.596 10 0 CDAERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262056528 149005422 /nfs/dbraw/zinc/00/54/22/149005422.db2.gz QSXORCCFYJOJCL-CVEARBPZSA-N 2 0 283.460 1.419 10 0 CDAERP C[C@@H](C(=O)NCC1([NH3+])CCCCCC1)C1C[NH2+]C1 ZINC000262207657 149034643 /nfs/dbraw/zinc/03/46/43/149034643.db2.gz NTHSSPQSPHFTES-LLVKDONJSA-N 2 0 253.390 1.010 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)[N@@H+]1CCC[C@H](C)C1 ZINC000262429012 149063130 /nfs/dbraw/zinc/06/31/30/149063130.db2.gz RJVDEEPTUVEFPB-XQLPTFJDSA-N 2 0 281.444 1.611 10 0 CDAERP C[NH+](C)C1(CNC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CCCC1 ZINC000334890898 150041229 /nfs/dbraw/zinc/04/12/29/150041229.db2.gz BZEOAORJXZITHP-ZIAGYGMSSA-N 2 0 294.443 1.254 10 0 CDAERP c1nc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)oc1C1CC1 ZINC000334997081 150165869 /nfs/dbraw/zinc/16/58/69/150165869.db2.gz RWYMBEPJUFJXCD-BETUJISGSA-N 2 0 261.369 1.983 10 0 CDAERP Cc1csc(=O)n1CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000334998275 150167024 /nfs/dbraw/zinc/16/70/24/150167024.db2.gz NTKPUWDYIYVJSU-BETUJISGSA-N 2 0 281.425 1.150 10 0 CDAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000335039175 150215697 /nfs/dbraw/zinc/21/56/97/150215697.db2.gz CYVIVDINBOFFOV-GWCFXTLKSA-N 2 0 258.325 1.062 10 0 CDAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000335045146 150222791 /nfs/dbraw/zinc/22/27/91/150222791.db2.gz KYYZQPPZZMKDEE-GWCFXTLKSA-N 2 0 258.325 1.062 10 0 CDAERP CC1=CC[N@H+](CCNC(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000335186596 150384129 /nfs/dbraw/zinc/38/41/29/150384129.db2.gz MZIRHGZVCBNPTL-INIZCTEOSA-N 2 0 292.427 1.033 10 0 CDAERP [NH3+]Cc1ccc(CNC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000335350213 150573065 /nfs/dbraw/zinc/57/30/65/150573065.db2.gz RJFIFUDAGAUUSL-GJZGRUSLSA-N 2 0 288.395 1.039 10 0 CDAERP COCC1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CCOCC1 ZINC000425935179 292247616 /nfs/dbraw/zinc/24/76/16/292247616.db2.gz CKATWTPPBSPCNX-BZUAXINKSA-N 2 0 296.455 1.892 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCO[C@@H]2CC2(F)F)[C@@H]2CCC[C@H]21 ZINC000658169385 413260793 /nfs/dbraw/zinc/26/07/93/413260793.db2.gz DMMKZCVVJCAOLB-WUHRBBMRSA-N 2 0 274.355 1.873 10 0 CDAERP CC[NH+]1CCC(NC(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000350091345 154325932 /nfs/dbraw/zinc/32/59/32/154325932.db2.gz WJEAXCDKGIMDJN-HNNXBMFYSA-N 2 0 281.444 1.851 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](O)C23CCC3)[C@@H](C)C1 ZINC000658249786 413313969 /nfs/dbraw/zinc/31/39/69/413313969.db2.gz BZGYDAULDQJLQK-FQUUOJAGSA-N 2 0 252.402 1.610 10 0 CDAERP O[C@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C12CCC2 ZINC000658249445 413313326 /nfs/dbraw/zinc/31/33/26/413313326.db2.gz BCHNLAXSPWSTNV-CABCVRRESA-N 2 0 264.413 1.754 10 0 CDAERP C[C@H](CNC(=O)N(C)CC1C[NH+](C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000660641845 413320993 /nfs/dbraw/zinc/32/09/93/413320993.db2.gz KUARRKQVQYPYJA-ZIAGYGMSSA-N 2 0 296.459 1.310 10 0 CDAERP COC[C@H]1CCN1Cc1ncc(CN(C)C)s1 ZINC000354059725 156245558 /nfs/dbraw/zinc/24/55/58/156245558.db2.gz VYGIJVUPKUJMPB-SNVBAGLBSA-N 2 0 255.387 1.425 10 0 CDAERP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CC2([NH3+])CC2)C1 ZINC000662696133 413332561 /nfs/dbraw/zinc/33/25/61/413332561.db2.gz UBOKEFCCNVLRLH-GFCCVEGCSA-N 2 0 267.417 1.495 10 0 CDAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)CC2([NH3+])CC2)C1 ZINC000662696753 413333145 /nfs/dbraw/zinc/33/31/45/413333145.db2.gz UBJUDQIVKFBZTA-UKRRQHHQSA-N 2 0 287.407 1.820 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000662702698 413347152 /nfs/dbraw/zinc/34/71/52/413347152.db2.gz CMSCLANHJDDBEZ-RRFJBIMHSA-N 2 0 281.444 1.885 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000359225973 158170538 /nfs/dbraw/zinc/17/05/38/158170538.db2.gz MOLCGTXRSUCEHE-OLZOCXBDSA-N 2 0 282.432 1.253 10 0 CDAERP CCC([NH3+])(CC)CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000363992863 159362225 /nfs/dbraw/zinc/36/22/25/159362225.db2.gz BNENQJYSRYZSLB-HWWQOWPSSA-N 2 0 297.443 1.153 10 0 CDAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C1C[NH2+]C1 ZINC000364635293 159372447 /nfs/dbraw/zinc/37/24/47/159372447.db2.gz SLQDQUNEHAKXGV-CZUORRHYSA-N 2 0 287.407 1.233 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000372891292 160156071 /nfs/dbraw/zinc/15/60/71/160156071.db2.gz MPONTERSNJIIPU-TZMCWYRMSA-N 2 0 290.411 1.140 10 0 CDAERP [NH3+]C1(CC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000662741873 413412518 /nfs/dbraw/zinc/41/25/18/413412518.db2.gz QEWOETBOWWENKY-ZDUSSCGKSA-N 2 0 265.401 1.345 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001665659680 1173032024 /nfs/dbraw/zinc/03/20/24/1173032024.db2.gz PWQSFAZFGQEMCA-KBPBESRZSA-N 2 0 269.433 1.517 10 0 CDAERP C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2C[NH3+])CCO1 ZINC000022153366 171360603 /nfs/dbraw/zinc/36/06/03/171360603.db2.gz XGGMQPMEMVLTKJ-GFCCVEGCSA-N 2 0 277.368 1.195 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1C[NH3+] ZINC000022154544 171361383 /nfs/dbraw/zinc/36/13/83/171361383.db2.gz XVCLRLDYAGDDIW-LBPRGKRZSA-N 2 0 261.369 1.958 10 0 CDAERP COc1ccccc1[C@H](C[NH3+])N(C)C1CC[NH+](C)CC1 ZINC000022172030 171368948 /nfs/dbraw/zinc/36/89/48/171368948.db2.gz IYDMTOWBHFOZCN-HNNXBMFYSA-N 2 0 277.412 1.721 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)[C@H](C(C)C)[C@H](C)[NH3+] ZINC000653175872 412115057 /nfs/dbraw/zinc/11/50/57/412115057.db2.gz DUWUFLVYCFGKIV-UONOGXRCSA-N 2 0 271.449 1.700 10 0 CDAERP [NH3+]CC1(CCNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000653216065 412144033 /nfs/dbraw/zinc/14/40/33/412144033.db2.gz PYUHSLSSJNLZSU-STQMWFEESA-N 2 0 267.417 1.529 10 0 CDAERP CCN(C(=O)NCCC[NH+](CC)CC)[C@@H]1CC[N@H+](C)C1 ZINC000663412356 412167584 /nfs/dbraw/zinc/16/75/84/412167584.db2.gz QDNQNWHREWBYNK-CQSZACIVSA-N 2 0 284.448 1.454 10 0 CDAERP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662794151 413511103 /nfs/dbraw/zinc/51/11/03/413511103.db2.gz OPEQRZVQFUMLKN-WDEREUQCSA-N 2 0 294.399 1.281 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662833538 413567375 /nfs/dbraw/zinc/56/73/75/413567375.db2.gz PFTUEZSWMHOXCT-BJHJDKERSA-N 2 0 265.401 1.118 10 0 CDAERP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C1([NH2+]C2CC2)CCC1 ZINC000662835606 413571858 /nfs/dbraw/zinc/57/18/58/413571858.db2.gz PYQJQINDRHHRHU-CABCVRRESA-N 2 0 291.439 1.794 10 0 CDAERP Nc1cc[nH+]cc1C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000662881704 413649274 /nfs/dbraw/zinc/64/92/74/413649274.db2.gz AQFBSBPIXKOBEH-HNNXBMFYSA-N 2 0 298.346 1.407 10 0 CDAERP O=C(C[N@@H+]1C[C@@H]2CCCC[C@@H]21)NC1CC[NH+](C2CC2)CC1 ZINC000660930671 413667823 /nfs/dbraw/zinc/66/78/23/413667823.db2.gz OIPMCIQXCYQYTH-BBRMVZONSA-N 2 0 291.439 1.604 10 0 CDAERP C[C@@H](C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)[C@H](C)[NH3+] ZINC000659348816 413740150 /nfs/dbraw/zinc/74/01/50/413740150.db2.gz QBEGWOQVLIHAHE-AYRXBEOTSA-N 2 0 275.396 1.232 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)NC(=O)N(CC)[C@H]1CC[NH+](C)C1 ZINC000664936692 413744695 /nfs/dbraw/zinc/74/46/95/413744695.db2.gz ZKVCSORXJUFTSN-GJZGRUSLSA-N 2 0 298.475 1.842 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CCC(CC[NH+](C)C)CC2)C1 ZINC000654782825 413704648 /nfs/dbraw/zinc/70/46/48/413704648.db2.gz VNTVFFQEKLXFBW-AWEZNQCLSA-N 2 0 281.444 1.519 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000659520047 413918875 /nfs/dbraw/zinc/91/88/75/413918875.db2.gz NETZUUDMAKRCFJ-ZIAGYGMSSA-N 2 0 278.400 1.359 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1c(C2CCC2)cnn1C ZINC000665273612 414006325 /nfs/dbraw/zinc/00/63/25/414006325.db2.gz AEDSDHFJMLRGKA-TUKIKUTGSA-N 2 0 292.427 1.530 10 0 CDAERP Cn1ncc(C2CCC2)c1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000665274710 414012036 /nfs/dbraw/zinc/01/20/36/414012036.db2.gz WWZMPYMOUMPDBA-JSGCOSHPSA-N 2 0 262.401 1.905 10 0 CDAERP C([NH2+][C@H]1CCCC12CCOCC2)C12CC(C1)C[NH2+]2 ZINC000665279453 414014238 /nfs/dbraw/zinc/01/42/38/414014238.db2.gz CSUIXWMPLLVMQO-OWYJLGKBSA-N 2 0 250.386 1.677 10 0 CDAERP C([NH2+][C@@H]1CCCC12CCOCC2)C12CC(C1)C[NH2+]2 ZINC000665279452 414016300 /nfs/dbraw/zinc/01/63/00/414016300.db2.gz CSUIXWMPLLVMQO-JVWICGRDSA-N 2 0 250.386 1.677 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](OC)C1CCCCC1 ZINC000665283597 414018909 /nfs/dbraw/zinc/01/89/09/414018909.db2.gz QKPWXNUZCCNYLV-CABCVRRESA-N 2 0 272.433 1.925 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCN(C2CCCCC2)C1 ZINC000665267042 414002176 /nfs/dbraw/zinc/00/21/76/414002176.db2.gz OQZHFAGFMZUWJA-GJZGRUSLSA-N 2 0 283.460 1.737 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000659619397 414029629 /nfs/dbraw/zinc/02/96/29/414029629.db2.gz OCJLLIYYRWAAHX-OAHLLOKOSA-N 2 0 292.427 1.530 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000659621852 414033375 /nfs/dbraw/zinc/03/33/75/414033375.db2.gz KMEHZDOGASAVAO-RBSFLKMASA-N 2 0 296.459 1.486 10 0 CDAERP CC(C)[C@@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)N(C)C ZINC000037221297 173040954 /nfs/dbraw/zinc/04/09/54/173040954.db2.gz JGXLCGRAKCQGSV-DZGCQCFKSA-N 2 0 255.450 1.893 10 0 CDAERP CCC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]CCC(=O)OC)C1 ZINC000037222223 173042237 /nfs/dbraw/zinc/04/22/37/173042237.db2.gz GQIKOBYDZNMECP-OLZOCXBDSA-N 2 0 256.390 1.650 10 0 CDAERP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1Cc2ccccc2[C@@H]1C ZINC000661517800 414146250 /nfs/dbraw/zinc/14/62/50/414146250.db2.gz UWPFVMMFOVBEEP-JGGQBBKZSA-N 2 0 262.397 1.617 10 0 CDAERP Cc1[nH+]ccc(NCc2nc(C[NH3+])cc(=O)[nH]2)c1Cl ZINC000663277422 414113703 /nfs/dbraw/zinc/11/37/03/414113703.db2.gz OERKFWNJSIFTQJ-UHFFFAOYSA-N 2 0 279.731 1.032 10 0 CDAERP CC[N@@H+]1CC[C@H](CNCc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657315399 414163576 /nfs/dbraw/zinc/16/35/76/414163576.db2.gz LQUIXAOPBOPSSS-CQSZACIVSA-N 2 0 285.395 1.699 10 0 CDAERP C[C@@H]1CN(Cc2nc3c(s2)C[NH2+]CC3)C[C@@]1(C)C[NH3+] ZINC000663496252 414294396 /nfs/dbraw/zinc/29/43/96/414294396.db2.gz FINTWZSNWBAPFL-QMTHXVAHSA-N 2 0 280.441 1.206 10 0 CDAERP C[C@H]1C[C@H](C[N@@H+]2CCOc3ccc(O)cc3C2)CC[NH2+]1 ZINC000663501787 414301905 /nfs/dbraw/zinc/30/19/05/414301905.db2.gz AUTGIQORSLOPGD-QWHCGFSZSA-N 2 0 276.380 1.975 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cccnc2)CC1 ZINC000663504460 414305766 /nfs/dbraw/zinc/30/57/66/414305766.db2.gz YERROTLGKAYXSE-UHFFFAOYSA-N 2 0 290.411 1.162 10 0 CDAERP CO[C@H](C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)[C@@H]1CCOC1 ZINC000659973422 414314565 /nfs/dbraw/zinc/31/45/65/414314565.db2.gz DHELOYLJJHSLCH-BRWVUGGUSA-N 2 0 296.455 1.702 10 0 CDAERP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](OC)[C@@H]2CCOC2)C1 ZINC000659989188 414332366 /nfs/dbraw/zinc/33/23/66/414332366.db2.gz FEJZJUAJXMHFIU-RRFJBIMHSA-N 2 0 270.417 1.312 10 0 CDAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H]3COC[C@@H]3C2)CC1 ZINC000662030051 414476203 /nfs/dbraw/zinc/47/62/03/414476203.db2.gz CTCWOALAZOLPHU-SJORKVTESA-N 2 0 295.471 1.371 10 0 CDAERP C([C@H]1CCC2(C[NH2+]C2)O1)[N@H+](C1CC1)C1CCCC1 ZINC000662251145 414585534 /nfs/dbraw/zinc/58/55/34/414585534.db2.gz ZZAQSAXVBYPSKS-CQSZACIVSA-N 2 0 250.386 1.914 10 0 CDAERP CCCC[N@H+](CCOC)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662254956 414590911 /nfs/dbraw/zinc/59/09/11/414590911.db2.gz MYXOADWGONPGIZ-CYBMUJFWSA-N 2 0 256.390 1.256 10 0 CDAERP CC[N@H+](C[C@H]1CCCO1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662254677 414591103 /nfs/dbraw/zinc/59/11/03/414591103.db2.gz SNADJRXJQJRGBM-OLZOCXBDSA-N 2 0 254.374 1.008 10 0 CDAERP CCCC[N@H+](C)CC1CC[NH+](C[C@@H]2CNCCO2)CC1 ZINC000662260610 414595938 /nfs/dbraw/zinc/59/59/38/414595938.db2.gz NOMLGPUTRITETA-INIZCTEOSA-N 2 0 283.460 1.419 10 0 CDAERP Clc1cccc([C@H]2C[NH2+]CCN2C[C@H]2C[NH2+]CCO2)c1 ZINC000662273706 414604678 /nfs/dbraw/zinc/60/46/78/414604678.db2.gz YSIQZIMDCMZSJR-HUUCEWRRSA-N 2 0 295.814 1.275 10 0 CDAERP CC(C)C(=O)NCC[N@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000662279454 414608450 /nfs/dbraw/zinc/60/84/50/414608450.db2.gz JPTZIAXFHMZCFF-UHFFFAOYSA-N 2 0 289.423 1.536 10 0 CDAERP c1ccc(C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C2CC2)nc1 ZINC000662278182 414609854 /nfs/dbraw/zinc/60/98/54/414609854.db2.gz XNPYTMJMRKIHAD-HNNXBMFYSA-N 2 0 273.380 1.567 10 0 CDAERP C(C[N@@H+]1CC[C@]2(C1)CCCOC2)C1CC[NH2+]CC1 ZINC000662315402 414634161 /nfs/dbraw/zinc/63/41/61/414634161.db2.gz OETQRSOPYQFJAI-HNNXBMFYSA-N 2 0 252.402 1.879 10 0 CDAERP c1cc2c(cc1C[N@@H+]1CC[C@H]3COC[C@@H]3C1)C[NH2+]CC2 ZINC000662316240 414635614 /nfs/dbraw/zinc/63/56/14/414635614.db2.gz JJZWNDOBMVZHFZ-RDJZCZTQSA-N 2 0 272.392 1.801 10 0 CDAERP C[NH+](C)CCC[C@H]1C[N@H+](C[C@H]2CCCOC2)CCO1 ZINC000662318926 414637833 /nfs/dbraw/zinc/63/78/33/414637833.db2.gz BJAGNRZEMRCRMN-CABCVRRESA-N 2 0 270.417 1.456 10 0 CDAERP COCCCCC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662321487 414639302 /nfs/dbraw/zinc/63/93/02/414639302.db2.gz JFAWFXIQQDBDML-OAHLLOKOSA-N 2 0 272.433 1.846 10 0 CDAERP CC(C)(C)CC[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508471 174303291 /nfs/dbraw/zinc/30/32/91/174303291.db2.gz AIJHVLHPKNRTKD-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP CCOC1CC[NH+](Cc2ccc(C(N)=[NH2+])cc2)CC1 ZINC000040689516 174376695 /nfs/dbraw/zinc/37/66/95/174376695.db2.gz BBNLZCIBILNOPM-UHFFFAOYSA-N 2 0 261.369 1.972 10 0 CDAERP NC(=[NH2+])CCCN1CCC([NH+]2CCCCC2)CC1 ZINC000040694093 174377914 /nfs/dbraw/zinc/37/79/14/174377914.db2.gz LITJDUAZJKGNNG-UHFFFAOYSA-N 2 0 252.406 1.653 10 0 CDAERP CN(CC[NH+]1CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747085 174392529 /nfs/dbraw/zinc/39/25/29/174392529.db2.gz XFDOTLSKJXLCDO-YIONKMFJSA-N 2 0 251.418 1.687 10 0 CDAERP C[C@H]1CCC[C@@](CNC(=O)C[C@@H]2CCC[NH2+]2)([NH+](C)C)C1 ZINC000042171174 174651179 /nfs/dbraw/zinc/65/11/79/174651179.db2.gz UUYXVWFIRIJBEE-OFQRWUPVSA-N 2 0 281.444 1.755 10 0 CDAERP C[NH+](C)CCOc1cccc(N[C@H]2CCC[NH2+]C2)c1 ZINC000043326502 175008194 /nfs/dbraw/zinc/00/81/94/175008194.db2.gz YBYLTSDSZBPOJR-AWEZNQCLSA-N 2 0 263.385 1.791 10 0 CDAERP CC[C@@H]([NH3+])[C@@H](c1cccnc1)N1CCC([NH+](C)C)CC1 ZINC000043346803 175017324 /nfs/dbraw/zinc/01/73/24/175017324.db2.gz KVDQVCKYJPNADN-HZPDHXFCSA-N 2 0 276.428 1.886 10 0 CDAERP C(CN1CC[NH+](CC2CC2)CC1)[C@H]1CCCC[NH2+]1 ZINC000043498699 175058126 /nfs/dbraw/zinc/05/81/26/175058126.db2.gz OTMLZCWNOMTEBH-OAHLLOKOSA-N 2 0 251.418 1.546 10 0 CDAERP C[NH+]1CCC(OC(=O)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000043586704 175072241 /nfs/dbraw/zinc/07/22/41/175072241.db2.gz RLAQDRZFYGMEDS-LBPRGKRZSA-N 2 0 254.374 1.404 10 0 CDAERP CCC[NH2+][C@@H]1CCOC[C@H]1N1CC[NH+](CCC)CC1 ZINC000043805678 175107336 /nfs/dbraw/zinc/10/73/36/175107336.db2.gz GRUPQJILRJAXDL-HUUCEWRRSA-N 2 0 269.433 1.171 10 0 CDAERP C[NH2+][C@@H]1c2ccccc2CC[C@@H]1N1CC[NH+](C)CC1 ZINC000043810614 175109717 /nfs/dbraw/zinc/10/97/17/175109717.db2.gz DUZZSGQBBHPURW-JKSUJKDBSA-N 2 0 259.397 1.509 10 0 CDAERP CC[C@@H](CC[NH3+])[N@@H+]1CCCN(C(=O)OC(C)C)CC1 ZINC000044239608 175155603 /nfs/dbraw/zinc/15/56/03/175155603.db2.gz GCVMAOHHGRQQMW-ZDUSSCGKSA-N 2 0 271.405 1.667 10 0 CDAERP C[NH+]1CCC(C[NH2+]C[C@@H](O)c2ccc3c(c2)OCO3)CC1 ZINC000044518171 175190973 /nfs/dbraw/zinc/19/09/73/175190973.db2.gz UNPCQOYUYFSIKO-CQSZACIVSA-N 2 0 292.379 1.380 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000044526951 175191894 /nfs/dbraw/zinc/19/18/94/175191894.db2.gz YQLBXUYHIDUFFL-TZMCWYRMSA-N 2 0 267.417 1.223 10 0 CDAERP C[N@@H+]1CCCN(C(=O)C2(C[NH3+])CCCCCC2)CC1 ZINC000044762310 175246302 /nfs/dbraw/zinc/24/63/02/175246302.db2.gz KCAUWDGZLCMEGB-UHFFFAOYSA-N 2 0 267.417 1.450 10 0 CDAERP C[C@@H](CC[NH+](C)C)NC(=O)[C@H](C[NH3+])Cc1ccccc1 ZINC000044806567 175256729 /nfs/dbraw/zinc/25/67/29/175256729.db2.gz MSJKUMTZOQIPGJ-ZFWWWQNUSA-N 2 0 277.412 1.260 10 0 CDAERP C[C@H](CNC(=O)Nc1cccc([C@H](C)[NH3+])c1)[NH+](C)C ZINC000045114004 175311160 /nfs/dbraw/zinc/31/11/60/175311160.db2.gz NILJUPQZSXKFOY-MNOVXSKESA-N 2 0 264.373 1.778 10 0 CDAERP CC(C)[NH2+][C@](C)(CCC[N@H+](C)C1CCOCC1)C(N)=O ZINC000045418538 175377093 /nfs/dbraw/zinc/37/70/93/175377093.db2.gz PVGWUCKSZIVOJK-OAHLLOKOSA-N 2 0 285.432 1.119 10 0 CDAERP CCC[NH2+][C@@](C)(CCC[N@H+](CC)[C@@H](C)COC)C(N)=O ZINC000045421155 175379674 /nfs/dbraw/zinc/37/96/74/175379674.db2.gz QMYQYSRUPLHXJR-ZFWWWQNUSA-N 2 0 287.448 1.367 10 0 CDAERP CC(C)[C@H]1C[C@](C[NH3+])(N(C)CCC[NH+](C)C)CCO1 ZINC000070366626 175896575 /nfs/dbraw/zinc/89/65/75/175896575.db2.gz LIKRSISRZXPZBB-HUUCEWRRSA-N 2 0 271.449 1.402 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)NC1CCC([NH3+])CC1 ZINC000070542246 175977626 /nfs/dbraw/zinc/97/76/26/175977626.db2.gz KZHMLZCYTIODBG-UHFFFAOYSA-N 2 0 261.369 1.188 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)N1CC[C@H]([NH2+]C2CC2)C1=O ZINC000071037357 176025926 /nfs/dbraw/zinc/02/59/26/176025926.db2.gz SSEQKWRIHSDQOM-OCCSQVGLSA-N 2 0 265.401 1.214 10 0 CDAERP C[N@H+](CCN1CC[NH2+]CC1)[C@@H]1CCOc2ccccc21 ZINC000071148891 176044516 /nfs/dbraw/zinc/04/45/16/176044516.db2.gz PMURJGMECPZQRC-OAHLLOKOSA-N 2 0 275.396 1.347 10 0 CDAERP CC[C@@H]([NH3+])[C@@H](N(C)C[C@@H]1CC[N@H+](C)C1)C(F)(F)F ZINC000071188145 176062680 /nfs/dbraw/zinc/06/26/80/176062680.db2.gz LKOBWDYTHWSJAO-GMTAPVOTSA-N 2 0 267.339 1.538 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)[C@@H](C[NH3+])C1CCCCC1 ZINC000071188519 176062736 /nfs/dbraw/zinc/06/27/36/176062736.db2.gz FDQRDRRNTSUIOG-HIFRSBDPSA-N 2 0 253.434 1.778 10 0 CDAERP CCOc1ccccc1[C@@H](C[NH3+])N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188624 176063975 /nfs/dbraw/zinc/06/39/75/176063975.db2.gz VTHIHYCQDHEJLT-GDBMZVCRSA-N 2 0 291.439 1.969 10 0 CDAERP CC[NH2+]Cc1nc(CN(C)C[C@H]2CC[N@H+](C)C2)cs1 ZINC000071192011 176071939 /nfs/dbraw/zinc/07/19/39/176071939.db2.gz AQHLBFIAUQQUOW-LBPRGKRZSA-N 2 0 282.457 1.636 10 0 CDAERP CC(C)[NH2+]C[C@H]1CC[C@H](C[N@H+](C)C[C@@H]2CC[NH+](C)C2)O1 ZINC000071192055 176073209 /nfs/dbraw/zinc/07/32/09/176073209.db2.gz KGKWTWUIQJNGEN-BZUAXINKSA-N 3 0 283.460 1.416 10 0 CDAERP C[C@@H]1[C@@H]([NH3+])CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071193272 176075042 /nfs/dbraw/zinc/07/50/42/176075042.db2.gz OZWJSWWELAATJX-CRWXNKLISA-N 2 0 267.417 1.160 10 0 CDAERP CN(Cc1ccc(F)cc1C[NH3+])C[C@H]1CC[N@H+](C)C1 ZINC000071263721 176096540 /nfs/dbraw/zinc/09/65/40/176096540.db2.gz QIPQPPWQHXYDCA-LBPRGKRZSA-N 2 0 265.376 1.668 10 0 CDAERP CN(CC[NH+]1CCCC1)Cc1ccc(F)cc1C(N)=[NH2+] ZINC000071268059 176101785 /nfs/dbraw/zinc/10/17/85/176101785.db2.gz HWTGAHPPZZLCLZ-UHFFFAOYSA-N 2 0 278.375 1.637 10 0 CDAERP CCOC(=O)CCCCC[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000071293406 176111664 /nfs/dbraw/zinc/11/16/64/176111664.db2.gz IRFUZGHVPDGLRC-UHFFFAOYSA-N 2 0 299.459 1.289 10 0 CDAERP C[N@H+](CCNC(=O)C1(C)CC[NH2+]CC1)C1CCCC1 ZINC000071378466 176142866 /nfs/dbraw/zinc/14/28/66/176142866.db2.gz YSLCWZZTULDGKY-UHFFFAOYSA-N 2 0 267.417 1.367 10 0 CDAERP Cc1ccccc1[C@H](C[NH3+])N1CC[NH+](CC(C)(C)O)CC1 ZINC000071380113 176144006 /nfs/dbraw/zinc/14/40/06/176144006.db2.gz CZBAXIGTRONJPK-INIZCTEOSA-N 2 0 291.439 1.383 10 0 CDAERP CC(C)(O)C[NH+]1CCN(Cc2ccccc2C[NH3+])CC1 ZINC000071380460 176144758 /nfs/dbraw/zinc/14/47/58/176144758.db2.gz UDXKWODRSWJYBG-UHFFFAOYSA-N 2 0 277.412 1.034 10 0 CDAERP CC[NH2+][C@H](CCN1CC[NH+](CC(C)(C)O)CC1)C(C)(C)C ZINC000071381741 176145548 /nfs/dbraw/zinc/14/55/48/176145548.db2.gz BEBUJPQQBJAUHP-OAHLLOKOSA-N 2 0 299.503 1.789 10 0 CDAERP CC(C)C[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001666172289 1173114658 /nfs/dbraw/zinc/11/46/58/1173114658.db2.gz FFDZUPQUNYPIJC-CVEARBPZSA-N 2 0 295.471 1.812 10 0 CDAERP CC[NH2+]C[C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001666563427 1173152639 /nfs/dbraw/zinc/15/26/39/1173152639.db2.gz NOHOLNRHLFNBNU-QWHCGFSZSA-N 2 0 255.406 1.223 10 0 CDAERP CC1(C)[NH2+]CC[C@@H]1NCc1nc2c(s1)C[NH2+]CC2 ZINC000663499915 423892068 /nfs/dbraw/zinc/89/20/68/423892068.db2.gz XIWWFEFHMYAJOV-NSHDSACASA-N 2 0 266.414 1.019 10 0 CDAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)CC[NH+]1CCCCC1 ZINC000652214658 424068544 /nfs/dbraw/zinc/06/85/44/424068544.db2.gz MQHFOLNDDFOAIV-KBPBESRZSA-N 2 0 282.432 1.112 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000652225208 424086821 /nfs/dbraw/zinc/08/68/21/424086821.db2.gz SVHCZIJWCJXHKC-HNNXBMFYSA-N 2 0 298.475 1.735 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCC2(C[NH3+])CC2)[C@@H](C)C1 ZINC000652239201 424120921 /nfs/dbraw/zinc/12/09/21/424120921.db2.gz DNACJPFJHNFXSD-KBPBESRZSA-N 2 0 296.459 1.487 10 0 CDAERP [NH3+]C[C@H](NC(=O)[C@@H]([NH3+])CC1CCCCC1)C(F)(F)F ZINC000655517457 424193910 /nfs/dbraw/zinc/19/39/10/424193910.db2.gz CHMGLHUSYPRBQZ-UWVGGRQHSA-N 2 0 281.322 1.290 10 0 CDAERP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662622670 424245820 /nfs/dbraw/zinc/24/58/20/424245820.db2.gz SRSICEUZCYUNJI-RWMBFGLXSA-N 2 0 267.417 1.364 10 0 CDAERP CN(C(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000653117888 424304116 /nfs/dbraw/zinc/30/41/16/424304116.db2.gz YMDOCIMOHLFZIU-KKUMJFAQSA-N 2 0 277.412 1.212 10 0 CDAERP CN(C(=O)[C@@H]1[NH2+]CCC1(C)C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000662720287 424372837 /nfs/dbraw/zinc/37/28/37/424372837.db2.gz YOJXFELWKAKYBS-STQMWFEESA-N 2 0 265.401 1.070 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000662728878 424380714 /nfs/dbraw/zinc/38/07/14/424380714.db2.gz ILDZRRAQIOJSJG-CQSZACIVSA-N 2 0 261.369 1.393 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)[C@H]1CCC[NH2+]CC1 ZINC000664718682 424325253 /nfs/dbraw/zinc/32/52/53/424325253.db2.gz IAEKIWOCFKYXHQ-ZDUSSCGKSA-N 2 0 269.433 1.613 10 0 CDAERP O=C(NC1CC([NH+]2CCCCC2)C1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653151510 424387930 /nfs/dbraw/zinc/38/79/30/424387930.db2.gz JBEKIRMHQPKLJB-FJBKBRRZSA-N 2 0 291.439 1.650 10 0 CDAERP O=C(N[C@@H]1CC[NH2+]C12CCCC2)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655482903 424480160 /nfs/dbraw/zinc/48/01/60/424480160.db2.gz ORFWYHUWEQUJHR-UMVBOHGHSA-N 2 0 277.412 1.167 10 0 CDAERP O=C(C[C@H]1CC[NH2+]C1)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000662835354 424517726 /nfs/dbraw/zinc/51/77/26/424517726.db2.gz MMCNSQSNPKJGQE-HZSPNIEDSA-N 2 0 265.401 1.119 10 0 CDAERP COc1cccc([C@H](C)[NH+]2CCC(O)(C[NH3+])CC2)c1 ZINC000397045449 270346222 /nfs/dbraw/zinc/34/62/22/270346222.db2.gz UWSSOFXZBBPKAG-LBPRGKRZSA-N 2 0 264.369 1.542 10 0 CDAERP O[C@@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)CC1(O)CCC1 ZINC000528387142 270808725 /nfs/dbraw/zinc/80/87/25/270808725.db2.gz LGPFPJIPDQUQCY-LSDHHAIUSA-N 2 0 282.428 1.070 10 0 CDAERP C[C@H]([NH2+]CCc1cccc2c1OC(F)(F)O2)C1C[NH2+]C1 ZINC000530216507 271157427 /nfs/dbraw/zinc/15/74/27/271157427.db2.gz PWJLEZPYPFLDAS-VIFPVBQESA-N 2 0 284.306 1.748 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC[C@H]1c2ccccc2C(=O)N1C ZINC000530225537 271167662 /nfs/dbraw/zinc/16/76/62/271167662.db2.gz OADDMCOZECQAKE-DFBGVHRSSA-N 2 0 273.380 1.401 10 0 CDAERP CC(C)(C)OC(=O)N1C[C@H]([NH+]2CCCC2)[C@@H](C[NH3+])C1 ZINC000058041284 275827298 /nfs/dbraw/zinc/82/72/98/275827298.db2.gz ZEJJUVYIKSWJFY-RYUDHWBXSA-N 2 0 269.389 1.276 10 0 CDAERP CC1(C)NC(=O)CC[C@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423418653 276153728 /nfs/dbraw/zinc/15/37/28/276153728.db2.gz HWYXTNQFXZAMPW-JHJVBQTASA-N 2 0 267.417 1.398 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2COCCO2)[C@H](C)C1 ZINC000336714094 276225375 /nfs/dbraw/zinc/22/53/75/276225375.db2.gz QGFGLLMYMBGVMQ-RDBSUJKOSA-N 2 0 256.390 1.064 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CC2)C1 ZINC000426364935 276375544 /nfs/dbraw/zinc/37/55/44/276375544.db2.gz JJKQTMAMFYCLQJ-GXTWGEPZSA-N 2 0 265.401 1.214 10 0 CDAERP C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000262455667 277021116 /nfs/dbraw/zinc/02/11/16/277021116.db2.gz UBINSUYUNAEGGV-KFWWJZLASA-N 2 0 279.428 1.365 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@]2(CNC(=O)C2)C1 ZINC000334622615 277044553 /nfs/dbraw/zinc/04/45/53/277044553.db2.gz BQCYYXBZZSNGFF-HIFRSBDPSA-N 2 0 265.401 1.073 10 0 CDAERP COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CC1CC[NH2+]CC1 ZINC000262040355 277374323 /nfs/dbraw/zinc/37/43/23/277374323.db2.gz YFJJURSAVPUQOP-RDBSUJKOSA-N 2 0 266.385 1.260 10 0 CDAERP CC(C)[NH+]1CCC([NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000360708870 277585054 /nfs/dbraw/zinc/58/50/54/277585054.db2.gz AXRCSXVYWMHPMK-CVEARBPZSA-N 2 0 282.428 1.787 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccccc1-n1cccn1 ZINC000234795880 277589491 /nfs/dbraw/zinc/58/94/91/277589491.db2.gz KTXCDPZUZJTMMF-HNNXBMFYSA-N 2 0 288.395 1.716 10 0 CDAERP CC(C)[C@H](C(=O)NC1CCC(C[NH+](C)C)CC1)[C@H](C)[NH3+] ZINC000423746681 277865250 /nfs/dbraw/zinc/86/52/50/277865250.db2.gz OIQLULBJTCSRRJ-PPWQZUPISA-N 2 0 283.460 1.842 10 0 CDAERP COc1c[nH+]ccc1N1CC[NH+](C[C@@H]2CCSC2)CC1 ZINC000355659320 278076705 /nfs/dbraw/zinc/07/67/05/278076705.db2.gz YHTVDAGKMCGNEQ-ZDUSSCGKSA-N 2 0 293.436 1.965 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000232800467 278220333 /nfs/dbraw/zinc/22/03/33/278220333.db2.gz WOPATQGTGNISKH-OAHLLOKOSA-N 2 0 293.455 1.851 10 0 CDAERP CCCC[C@@H](C[NH3+])NC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000417817044 278724564 /nfs/dbraw/zinc/72/45/64/278724564.db2.gz RCEMPRDVADCGNY-NWDGAFQWSA-N 2 0 255.406 1.398 10 0 CDAERP CC[N@H+](C)C[C@H]1CC[NH+](CC2(C(=O)OC)CC2)C1 ZINC000448521877 279039917 /nfs/dbraw/zinc/03/99/17/279039917.db2.gz SOHQPLLMLFKEBU-GFCCVEGCSA-N 2 0 254.374 1.213 10 0 CDAERP CC[NH+](CC)CCCN[C@@H](C)c1c[nH+]ccc1N ZINC000422739087 279099977 /nfs/dbraw/zinc/09/99/77/279099977.db2.gz ZVKKJEAFMDORBV-LBPRGKRZSA-N 2 0 250.390 1.877 10 0 CDAERP CC(C)C[C@H](C[NH3+])NC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000417540756 279139334 /nfs/dbraw/zinc/13/93/34/279139334.db2.gz XRVAOAUVJOWGLY-RBSFLKMASA-N 2 0 298.475 1.922 10 0 CDAERP C[C@H](CCCCO)[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000453297591 279255511 /nfs/dbraw/zinc/25/55/11/279255511.db2.gz ZYTGXKJFNVLSKE-KBUPBQIOSA-N 2 0 254.418 2.000 10 0 CDAERP C[C@H]([NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1)C1C[NH2+]C1 ZINC000422989105 279500912 /nfs/dbraw/zinc/50/09/12/279500912.db2.gz LRNCTZFWHSCWOW-BJJXKVORSA-N 2 0 260.381 1.962 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N(C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245661402 280226480 /nfs/dbraw/zinc/22/64/80/280226480.db2.gz DFTJQKWNJNPSOY-KKUMJFAQSA-N 2 0 298.475 1.841 10 0 CDAERP C[C@@H](CN1CCC[C@@H](C)C1)[NH2+]C1CCN(C(N)=O)CC1 ZINC000246886923 280308596 /nfs/dbraw/zinc/30/85/96/280308596.db2.gz FFVRMODEPFJNFB-OLZOCXBDSA-N 2 0 282.432 1.240 10 0 CDAERP CNC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000251028813 280506104 /nfs/dbraw/zinc/50/61/04/280506104.db2.gz JHNDLCMVARPTKO-ZDEQEGDKSA-N 2 0 253.390 1.021 10 0 CDAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C[NH+](CC)C1CC1 ZINC000153176748 281188914 /nfs/dbraw/zinc/18/89/14/281188914.db2.gz YGQRPVZPNYCZPK-DZGCQCFKSA-N 2 0 279.428 1.556 10 0 CDAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262371094 281198425 /nfs/dbraw/zinc/19/84/25/281198425.db2.gz LYTLIOUBFOAWOI-AJNGGQMLSA-N 2 0 279.428 1.460 10 0 CDAERP CC1(C)CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC[C@H]1[NH3+] ZINC000262139058 281202026 /nfs/dbraw/zinc/20/20/26/281202026.db2.gz XBASEXIIPYGNAP-XDQVBPFNSA-N 2 0 279.428 1.493 10 0 CDAERP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262380187 288311159 /nfs/dbraw/zinc/31/11/59/288311159.db2.gz NQSWAVBJAVWVNF-CRWXNKLISA-N 2 0 265.401 1.070 10 0 CDAERP CCN(CC[NH2+]C[C@@H](C)OC)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001668652230 1173436777 /nfs/dbraw/zinc/43/67/77/1173436777.db2.gz JXANSTMZSAGKPQ-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP C[NH+](C)C(C)(C)CN[C@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353456725 289036593 /nfs/dbraw/zinc/03/65/93/289036593.db2.gz WSBQPVRYDDVKEJ-HZSPNIEDSA-N 2 0 253.434 1.789 10 0 CDAERP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333678731 289790556 /nfs/dbraw/zinc/79/05/56/289790556.db2.gz OKNQIMCGEMDUCK-RWMBFGLXSA-N 2 0 268.405 1.040 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCC2(CO)CC2)[C@@H]2CCC[C@@H]21 ZINC000453340406 290216902 /nfs/dbraw/zinc/21/69/02/290216902.db2.gz KZMOIAXPGYVYEE-IHRRRGAJSA-N 2 0 252.402 1.611 10 0 CDAERP C[N@@H+]1CC[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)[C@H]2CCC[C@@H]21 ZINC000423358221 290223308 /nfs/dbraw/zinc/22/33/08/290223308.db2.gz BLBXHSBWHGNISQ-QRTUWBSPSA-N 2 0 251.418 1.719 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000561156937 293056243 /nfs/dbraw/zinc/05/62/43/293056243.db2.gz XZLBBGQYQVJOMQ-OAGGEKHMSA-N 2 0 295.471 1.812 10 0 CDAERP O=C(NCc1ccc2c[nH+]cn2c1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000562665337 293168682 /nfs/dbraw/zinc/16/86/82/293168682.db2.gz NUMVUUSBNIRQIY-ZDUSSCGKSA-N 2 0 299.378 1.370 10 0 CDAERP CC[NH+](CC)CCCN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564572451 293374027 /nfs/dbraw/zinc/37/40/27/293374027.db2.gz WMDFYEJAXCIZLA-OAHLLOKOSA-N 3 0 253.434 1.794 10 0 CDAERP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC([NH2+]CCOC)CC1 ZINC000565149623 293531239 /nfs/dbraw/zinc/53/12/39/293531239.db2.gz WNVLPWNJOQYUBG-CQSZACIVSA-N 2 0 299.459 1.238 10 0 CDAERP CC[NH+]1CCC(CNC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000567336359 293761017 /nfs/dbraw/zinc/76/10/17/293761017.db2.gz XKGRZXDYKMRWIP-GXTWGEPZSA-N 2 0 282.432 1.016 10 0 CDAERP CN(C)C(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000568249698 293999592 /nfs/dbraw/zinc/99/95/92/293999592.db2.gz YFBXADJGDBIJQZ-XHSDSOJGSA-N 2 0 289.423 1.545 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000571443556 294437861 /nfs/dbraw/zinc/43/78/61/294437861.db2.gz GMRULRFXHJVITI-VLJOUNFMSA-N 2 0 253.390 1.149 10 0 CDAERP NC(=[NH2+])NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000262384682 295006604 /nfs/dbraw/zinc/00/66/04/295006604.db2.gz OKUVUEZUFWVNKV-UHFFFAOYSA-N 2 0 264.295 1.275 10 0 CDAERP NC(=O)C1CC[NH+](CCC[NH2+]C2CCCCCC2)CC1 ZINC000065456576 295036356 /nfs/dbraw/zinc/03/63/56/295036356.db2.gz QSGAATFRJCORAU-UHFFFAOYSA-N 2 0 281.444 1.886 10 0 CDAERP [NH3+]C1(C(=O)NC2CC[NH+](C3CCCC3)CC2)CCOCC1 ZINC000261941066 295202763 /nfs/dbraw/zinc/20/27/63/295202763.db2.gz XNDVPGYAATTZDZ-UHFFFAOYSA-N 2 0 295.427 1.018 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000261642936 295271280 /nfs/dbraw/zinc/27/12/80/295271280.db2.gz AVOZIMKFGLMYRR-RBSFLKMASA-N 2 0 279.428 1.210 10 0 CDAERP [NH3+][C@@H](CC1CCCCC1)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000333758469 295293754 /nfs/dbraw/zinc/29/37/54/295293754.db2.gz AEOYEHYXIAMWBC-AWEZNQCLSA-N 2 0 279.428 1.639 10 0 CDAERP [NH3+][C@@H]1CCC[C@H](C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000226999393 295310544 /nfs/dbraw/zinc/31/05/44/295310544.db2.gz VMUDDTPLRHDJLC-ZNMIVQPWSA-N 2 0 279.428 1.591 10 0 CDAERP [NH3+]C1(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)Cc2ccccc2C1 ZINC000377558857 303354180 /nfs/dbraw/zinc/35/41/80/303354180.db2.gz BFKJBCRKJIFHCR-QGZVFWFLSA-N 2 0 299.418 1.085 10 0 CDAERP [NH3+]C1(CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CCC1 ZINC000333883445 303357882 /nfs/dbraw/zinc/35/78/82/303357882.db2.gz WRGBXUXOPSJATQ-CQSZACIVSA-N 2 0 294.443 1.528 10 0 CDAERP [NH3+]CC1(CC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CCCCC1 ZINC000335109031 303369940 /nfs/dbraw/zinc/36/99/40/303369940.db2.gz UPQGINNUEVZZFW-KRWDZBQOSA-N 2 0 293.455 1.888 10 0 CDAERP O=C(N1CC[C@H]2CC[C@@H](C1)[NH2+]2)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262048923 303694670 /nfs/dbraw/zinc/69/46/70/303694670.db2.gz HEGOQHATKRLMFS-KNCOVGOOSA-N 2 0 277.412 1.119 10 0 CDAERP CCC[NH2+][C@H](C)C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000566259216 316533109 /nfs/dbraw/zinc/53/31/09/316533109.db2.gz RDKDXSMTDNKPRQ-IUODEOHRSA-N 2 0 275.396 1.459 10 0 CDAERP CSC[C@@H](O)C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000576271446 317107285 /nfs/dbraw/zinc/10/72/85/317107285.db2.gz AUDHQIHYZYMCHC-LBPRGKRZSA-N 2 0 251.355 1.148 10 0 CDAERP C[C@H]([NH2+]CCOCC[NH+](C)C)c1cn2ccccc2n1 ZINC000576529273 317157384 /nfs/dbraw/zinc/15/73/84/317157384.db2.gz NPBCLIDPBRWKDC-ZDUSSCGKSA-N 2 0 276.384 1.563 10 0 CDAERP CCC[NH+]1CCC(C[NH2+]Cc2cnc(C)n2C)CC1 ZINC000577388727 317321504 /nfs/dbraw/zinc/32/15/04/317321504.db2.gz LQZBKOHWJIXHDF-UHFFFAOYSA-N 2 0 264.417 1.940 10 0 CDAERP COC[C@@H](O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185693949 323395506 /nfs/dbraw/zinc/39/55/06/323395506.db2.gz RSEFRBSPMZOYDJ-IPYPFGDCSA-N 2 0 270.417 1.236 10 0 CDAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1cn[nH]c1 ZINC000379588199 323602638 /nfs/dbraw/zinc/60/26/38/323602638.db2.gz OBSHRUOEMYZGEB-OCCSQVGLSA-N 2 0 250.390 1.853 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000581499252 324766303 /nfs/dbraw/zinc/76/63/03/324766303.db2.gz YUKDPZYHEMVXOU-BFHYXJOUSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@H](CN[C@H](C)[C@H]1CCC[NH2+]C1)C[NH+]1CCCC1 ZINC000582540552 324994215 /nfs/dbraw/zinc/99/42/15/324994215.db2.gz YIONAKWKXUBXNC-KFWWJZLASA-N 2 0 253.434 1.696 10 0 CDAERP CN1CCN(Cc2cc(-c3ccccc3)n[nH]2)[C@@H](C[NH3+])C1 ZINC000582606244 325007652 /nfs/dbraw/zinc/00/76/52/325007652.db2.gz KXVJETODCAFVIV-HNNXBMFYSA-N 2 0 285.395 1.151 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000584212402 327067960 /nfs/dbraw/zinc/06/79/60/327067960.db2.gz XMABVSJTLBEZHI-AWEZNQCLSA-N 2 0 298.475 1.700 10 0 CDAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)CC1([NH3+])CC1 ZINC000398055422 482231097 /nfs/dbraw/zinc/23/10/97/482231097.db2.gz YKBBAVWWJAMIJO-HIFRSBDPSA-N 2 0 287.407 1.505 10 0 CDAERP CC(C)[NH2+]CC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000040809214 482349707 /nfs/dbraw/zinc/34/97/07/482349707.db2.gz YKTUTZLCYLSXPI-AWEZNQCLSA-N 2 0 263.385 1.404 10 0 CDAERP CC[C@@H]1CN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)CC[C@H]1[NH3+] ZINC000669516252 482539829 /nfs/dbraw/zinc/53/98/29/482539829.db2.gz ZXMXCQCNAZAHBW-UPJWGTAASA-N 2 0 267.417 1.350 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417306046 482581993 /nfs/dbraw/zinc/58/19/93/482581993.db2.gz YXAFLKKSDWZWHG-JKXDFHQYSA-N 2 0 296.459 1.641 10 0 CDAERP CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000669529824 482599001 /nfs/dbraw/zinc/59/90/01/482599001.db2.gz DKTNQSPYBUUHIN-MJBXVCDLSA-N 2 0 282.432 1.158 10 0 CDAERP C[C@@]([NH3+])(C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000334342138 482718782 /nfs/dbraw/zinc/71/87/82/482718782.db2.gz KEQXNLWHTHRTPK-IRXDYDNUSA-N 2 0 287.407 1.463 10 0 CDAERP CO[C@@H]1CCC[C@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)C1 ZINC000684378000 482781966 /nfs/dbraw/zinc/78/19/66/482781966.db2.gz QUZOUVQTJLSTPZ-DLBZAZTESA-N 2 0 297.487 1.807 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000684390677 482788552 /nfs/dbraw/zinc/78/85/52/482788552.db2.gz KRHQXQIWFIHTJK-RBSFLKMASA-N 2 0 272.433 1.890 10 0 CDAERP C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1CCC[NH3+] ZINC000666636703 482833301 /nfs/dbraw/zinc/83/33/01/482833301.db2.gz QSJSQUNXZLELGB-OAHLLOKOSA-N 2 0 261.413 1.932 10 0 CDAERP COC[C@@H](CC1CCOCC1)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000657876853 482908256 /nfs/dbraw/zinc/90/82/56/482908256.db2.gz OELZDDJTDQLWAV-JKSUJKDBSA-N 2 0 284.444 1.750 10 0 CDAERP C[C@@H]([NH3+])CC(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000261532266 482914784 /nfs/dbraw/zinc/91/47/84/482914784.db2.gz AAEUYQWIWUXNHW-CHWSQXEVSA-N 2 0 263.385 1.360 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(C(=O)C[C@@H]([NH3+])C(C)C)C1 ZINC000136460076 482919233 /nfs/dbraw/zinc/91/92/33/482919233.db2.gz OEKFQTMAKRIKJH-QWHCGFSZSA-N 2 0 255.406 1.303 10 0 CDAERP CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000674054493 482934477 /nfs/dbraw/zinc/93/44/77/482934477.db2.gz RPVCCPOLPJWBHJ-ZIAGYGMSSA-N 2 0 282.432 1.064 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[C@H]1C[NH3+])c1cccs1 ZINC000250349871 483016445 /nfs/dbraw/zinc/01/64/45/483016445.db2.gz TVDJETRKPPWJMG-YNEHKIRRSA-N 2 0 295.452 1.842 10 0 CDAERP CC[NH+](CC)[C@@H](CNC(=O)NC/C=C\C[NH3+])c1ccco1 ZINC000669418808 483021798 /nfs/dbraw/zinc/02/17/98/483021798.db2.gz NJMKEXVHLPAASK-SZZPACECSA-N 2 0 294.399 1.477 10 0 CDAERP C[C@@H]1CCC[C@](CNC(=O)[C@H]2CCC[C@@H]2C[NH3+])([NH+](C)C)C1 ZINC000251650091 483067442 /nfs/dbraw/zinc/06/74/42/483067442.db2.gz FNVHBZUZKSNXSL-AIANPOQGSA-N 2 0 295.471 1.988 10 0 CDAERP COc1c[nH+]ccc1N1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000361518384 483129469 /nfs/dbraw/zinc/12/94/69/483129469.db2.gz JKBJSEWCUHFBQV-UKRRQHHQSA-N 2 0 291.395 1.516 10 0 CDAERP O=C(C[C@H]1CC[NH2+]C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000089745615 483129507 /nfs/dbraw/zinc/12/95/07/483129507.db2.gz ZEWIPZRRTDTWCF-CQSZACIVSA-N 2 0 279.428 1.463 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000251902135 483193171 /nfs/dbraw/zinc/19/31/71/483193171.db2.gz WMSZGKGYPLTEHG-MCIONIFRSA-N 2 0 297.468 1.167 10 0 CDAERP C[C@@H](CNC(=O)NC/C=C\C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000669474156 483197008 /nfs/dbraw/zinc/19/70/08/483197008.db2.gz MEMFCNNQEIWHEN-AFNCTOJWSA-N 2 0 290.411 1.321 10 0 CDAERP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H]1CC2CCC1CC2 ZINC000311079650 483207412 /nfs/dbraw/zinc/20/74/12/483207412.db2.gz OBJIQMKDTZPNSX-PFSRBDOWSA-N 2 0 254.418 1.856 10 0 CDAERP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000248830755 483288458 /nfs/dbraw/zinc/28/84/58/483288458.db2.gz BJGRUIGCTFXELC-NILFDRSVSA-N 2 0 273.380 1.130 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000136367820 483397778 /nfs/dbraw/zinc/39/77/78/483397778.db2.gz AXUXOULFBYMCNF-HNNXBMFYSA-N 2 0 293.411 1.939 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000136408226 483402513 /nfs/dbraw/zinc/40/25/13/483402513.db2.gz PTJBMMCWSNPYPU-HNNXBMFYSA-N 2 0 281.444 1.694 10 0 CDAERP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000667869260 483465281 /nfs/dbraw/zinc/46/52/81/483465281.db2.gz VIIYTQJWVXVXJN-OWCLPIDISA-N 2 0 282.428 1.380 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CO[C@H](C3CC3)C2)[C@@H](C)C1 ZINC000667877032 483468917 /nfs/dbraw/zinc/46/89/17/483468917.db2.gz BUGPIVICTHTZNU-MXAVVETBSA-N 2 0 252.402 1.874 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](C)C(C)(C)O ZINC000680118478 483541236 /nfs/dbraw/zinc/54/12/36/483541236.db2.gz RZJHEFPSAQHHAP-LBPRGKRZSA-N 2 0 274.368 1.825 10 0 CDAERP CNC(=O)[C@]1(C)CC[N@H+](Cc2ccnn2-c2ccncc2)C1 ZINC000668098176 483562765 /nfs/dbraw/zinc/56/27/65/483562765.db2.gz BKGGQVKLOLNRGW-MRXNPFEDSA-N 2 0 299.378 1.225 10 0 CDAERP CC(C)[NH2+]CCC[C@@H](C)[N@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000052482888 519721072 /nfs/dbraw/zinc/72/10/72/519721072.db2.gz SCMDSAMMJQKPQC-CHWSQXEVSA-N 2 0 276.446 1.272 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CC[C@@H](C[NH+]2CCN(C3CC3)CC2)O1 ZINC000052371398 519724000 /nfs/dbraw/zinc/72/40/00/519724000.db2.gz SQJOLCNJCXJZDW-HOTGVXAUSA-N 2 0 281.444 1.312 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050951207 519793237 /nfs/dbraw/zinc/79/32/37/519793237.db2.gz UBAKIRJVCRMQRO-ZIAGYGMSSA-N 2 0 269.433 1.611 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000236759099 519842985 /nfs/dbraw/zinc/84/29/85/519842985.db2.gz YHEHLYUKNSIZMP-CYBMUJFWSA-N 2 0 269.433 1.598 10 0 CDAERP CC[NH2+][C@@](C)(C[C@H](C)N1CC[NH+](C(C)(C)C)CC1)C(N)=O ZINC000068636454 520145614 /nfs/dbraw/zinc/14/56/14/520145614.db2.gz DHXXLZFCLIEGCK-BBRMVZONSA-N 2 0 298.475 1.035 10 0 CDAERP CC[NH2+][C@H]1CCCC[C@@H]1N(C)CC[NH+]1CCCC1 ZINC000063051555 520213506 /nfs/dbraw/zinc/21/35/06/520213506.db2.gz VUILYWHJSWSORW-GJZGRUSLSA-N 2 0 253.434 1.935 10 0 CDAERP CCCN(CC[NH+](C)C)C[C@H]([NH3+])c1ccc(OC)cc1 ZINC000045687538 521656597 /nfs/dbraw/zinc/65/65/97/521656597.db2.gz JMOFSHMDPRWYGT-INIZCTEOSA-N 2 0 279.428 1.969 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH2+]CC1CC1 ZINC001733144702 1161922075 /nfs/dbraw/zinc/92/20/75/1161922075.db2.gz HGWGALIGWNFECW-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CN(CC[N@H+](C)CC1CC1)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001732595323 1183037686 /nfs/dbraw/zinc/03/76/86/1183037686.db2.gz RRSXRBQBCNDAFB-AWEZNQCLSA-N 2 0 267.417 1.128 10 0 CDAERP CC(C)CCOCCN1CC[NH+](CCCCC[NH3+])CC1 ZINC000049265222 519666311 /nfs/dbraw/zinc/66/63/11/519666311.db2.gz JSNTWUMDUHYVCK-UHFFFAOYSA-N 2 0 285.476 1.796 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)[C@H]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000055160907 519724707 /nfs/dbraw/zinc/72/47/07/519724707.db2.gz QKJGMYMCFMWEPA-CABCVRRESA-N 2 0 281.444 1.552 10 0 CDAERP CC(C)C[NH+]1CCN(C[C@H]2CC[C@@H](C[NH2+]C3CC3)O2)CC1 ZINC000055082836 519726646 /nfs/dbraw/zinc/72/66/46/519726646.db2.gz RJSHPNLCELMZJA-DLBZAZTESA-N 2 0 295.471 1.560 10 0 CDAERP CC(C)C[NH+]1CCN([C@]2(C[NH3+])CCCSC2)CC1 ZINC000061590319 519728349 /nfs/dbraw/zinc/72/83/49/519728349.db2.gz CYAMDIRUTGOSMK-AWEZNQCLSA-N 2 0 271.474 1.485 10 0 CDAERP CC(C)[NH2+][C@@H](CC[NH+]1CCC(C[NH+](C)C)CC1)C(=O)[O-] ZINC000062460526 519734295 /nfs/dbraw/zinc/73/42/95/519734295.db2.gz DCSGMWMISCOWKY-AWEZNQCLSA-N 2 0 285.432 1.101 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CC[C@H](COCCC[NH+](C)C)O1 ZINC000052672663 519745151 /nfs/dbraw/zinc/74/51/51/519745151.db2.gz MMOONOFGIDZPJB-LSDHHAIUSA-N 2 0 272.433 1.748 10 0 CDAERP CC(C)[C@@H](CNC(=O)CCC1CC[NH2+]CC1)[NH+](C)C ZINC000050950042 519794430 /nfs/dbraw/zinc/79/44/30/519794430.db2.gz SBNYITKTUXEROV-CQSZACIVSA-N 2 0 269.433 1.469 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)C[C@@H]2CSCC[NH2+]2)CC1 ZINC000236770363 519842222 /nfs/dbraw/zinc/84/22/22/519842222.db2.gz QZQZFCRZIASTTH-CQSZACIVSA-N 2 0 299.484 1.320 10 0 CDAERP CCC[NH+]1CCC(C[NH3+])(N(CC)CC2CC2)CC1 ZINC000069237455 519842265 /nfs/dbraw/zinc/84/22/65/519842265.db2.gz DJWWXJREOXMVMQ-UHFFFAOYSA-N 2 0 253.434 1.922 10 0 CDAERP CCC[NH+]1CCN(C(=O)C[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000055124591 519856069 /nfs/dbraw/zinc/85/60/69/519856069.db2.gz YOIVOLSEDWOODM-KBPBESRZSA-N 2 0 267.417 1.448 10 0 CDAERP CCC[NH+]1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000055086468 519856256 /nfs/dbraw/zinc/85/62/56/519856256.db2.gz CLZXMYIRWPWESL-OLZOCXBDSA-N 2 0 253.390 1.058 10 0 CDAERP CCC[NH+]1CCN(CCC[C@H]2CCCC[NH2+]2)CC1 ZINC000050952450 519857909 /nfs/dbraw/zinc/85/79/09/519857909.db2.gz JDTJRICCHHAFAD-OAHLLOKOSA-N 2 0 253.434 1.936 10 0 CDAERP CCCC(C[NH3+])(CCC)C(=O)NCCCC[NH+](C)C ZINC000045708549 519885164 /nfs/dbraw/zinc/88/51/64/519885164.db2.gz FMHCCPKUMQOHKB-UHFFFAOYSA-N 2 0 271.449 1.990 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000061296629 519904026 /nfs/dbraw/zinc/90/40/26/519904026.db2.gz FKIKRHGEZKVMRB-UHFFFAOYSA-N 2 0 283.460 1.953 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)NCC[NH+]1CCCCCC1 ZINC000061266979 519936695 /nfs/dbraw/zinc/93/66/95/519936695.db2.gz LKVZBSJOHCYOCJ-CYBMUJFWSA-N 2 0 255.406 1.224 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@@H](C[N@@H+]2CCCN(C)CC2)O1 ZINC000052424367 519939309 /nfs/dbraw/zinc/93/93/09/519939309.db2.gz HUSCEMFNBROQKD-CABCVRRESA-N 2 0 269.433 1.171 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000061273479 520065817 /nfs/dbraw/zinc/06/58/17/520065817.db2.gz ZLQPRBHJNAQYAX-STQMWFEESA-N 2 0 255.406 1.221 10 0 CDAERP CCC[NH2+][C@H]1CCC[C@H]1N1CCN(CC[NH+](C)C)CC1 ZINC000061644033 520094657 /nfs/dbraw/zinc/09/46/57/520094657.db2.gz WPFUXVUBDBHYBR-JKSUJKDBSA-N 2 0 282.476 1.086 10 0 CDAERP CC[NH2+][C@@H](CN1CC[C@H]([NH+]2CCCC2)C1)C1CC1 ZINC000069075444 520099619 /nfs/dbraw/zinc/09/96/19/520099619.db2.gz NGNWVDPZADMRSD-GJZGRUSLSA-N 2 0 251.418 1.545 10 0 CDAERP CCO[C@@H]1CCC[N@H+](Cc2cccnc2C(N)=[NH2+])C1 ZINC000061658246 520320639 /nfs/dbraw/zinc/32/06/39/520320639.db2.gz CXYOCBNEVFMFLR-GFCCVEGCSA-N 2 0 262.357 1.367 10 0 CDAERP CCO[C@H](C[NH3+])CN1CC[NH+](Cc2ccccc2)CC1 ZINC000062739517 520517689 /nfs/dbraw/zinc/51/76/89/520517689.db2.gz VZFWHXBMXXNUAZ-MRXNPFEDSA-N 2 0 277.412 1.168 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@H]1CCC[C@@H](CC[NH3+])C1 ZINC000055145728 520618896 /nfs/dbraw/zinc/61/88/96/520618896.db2.gz WSMNVIMVIOWJOJ-GJZGRUSLSA-N 2 0 283.460 1.990 10 0 CDAERP CC[NH+](CC)CCNC(=O)[C@H]1CCC[C@@H](C)[C@@H]1[NH3+] ZINC000055122992 520680085 /nfs/dbraw/zinc/68/00/85/520680085.db2.gz UNTSUMFSWQYHEQ-AGIUHOORSA-N 2 0 255.406 1.208 10 0 CDAERP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCSC)C1 ZINC000340686413 520695900 /nfs/dbraw/zinc/69/59/00/520695900.db2.gz AIMXEGMIKYEMCJ-ZDUSSCGKSA-N 2 0 260.447 1.782 10 0 CDAERP CCOC(=O)[C@H](C)C[NH+]1CCC(CC[NH2+]C)CC1 ZINC000070189740 521184841 /nfs/dbraw/zinc/18/48/41/521184841.db2.gz WFBFVGIDWQLCBC-GFCCVEGCSA-N 2 0 256.390 1.507 10 0 CDAERP CCC(CC)(C[NH2+]C1CC1)C[N@H+](C)C[C@H](O)COC ZINC000051284450 521440672 /nfs/dbraw/zinc/44/06/72/521440672.db2.gz NQWYSTCOSDYSSC-AWEZNQCLSA-N 2 0 272.433 1.484 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CCCC[NH2+]2)C1 ZINC000049225203 521643321 /nfs/dbraw/zinc/64/33/21/521643321.db2.gz OJTPFHDYLFPPNH-STQMWFEESA-N 2 0 253.390 1.119 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)CCC2CCC([NH3+])CC2)C1 ZINC000055136945 521643409 /nfs/dbraw/zinc/64/34/09/521643409.db2.gz SNBDCLAMNCIKOI-NRXISQOPSA-N 2 0 281.444 1.885 10 0 CDAERP CCOCCCC[NH2+]CCN1CCC[C@@H]1C[NH+](C)C ZINC000061655049 521703545 /nfs/dbraw/zinc/70/35/45/521703545.db2.gz HOCODBYFNWIGCM-OAHLLOKOSA-N 2 0 271.449 1.419 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000061645031 521832064 /nfs/dbraw/zinc/83/20/64/521832064.db2.gz OSIWPZAUCANTDG-ZQDZILKHSA-N 2 0 279.428 1.460 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000061645069 521833241 /nfs/dbraw/zinc/83/32/41/521833241.db2.gz IUFFRHCVZOAMDQ-GJZGRUSLSA-N 2 0 275.396 1.629 10 0 CDAERP CN(C)C[C@@H]1CCC[N@@H+]1C[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000061653638 521838315 /nfs/dbraw/zinc/83/83/15/521838315.db2.gz YTZOAHBZTNHNIU-KKUMJFAQSA-N 2 0 253.434 1.920 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1c1ccc(C[NH2+]C2CC2)nn1 ZINC000061654244 521844132 /nfs/dbraw/zinc/84/41/32/521844132.db2.gz PEIUYMMNJHTKQJ-AWEZNQCLSA-N 2 0 275.400 1.259 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1c1cc(C[NH2+]C2CC2)ccn1 ZINC000061654269 521873200 /nfs/dbraw/zinc/87/32/00/521873200.db2.gz JVNJZEZCILTUST-OAHLLOKOSA-N 2 0 274.412 1.864 10 0 CDAERP CN(C)C[C@H]1CCC[N@@H+]1[C@@H]1CCCCC[C@@H]1C[NH3+] ZINC000061642528 521874019 /nfs/dbraw/zinc/87/40/19/521874019.db2.gz UHSKVYTXZOZZQF-RBSFLKMASA-N 2 0 253.434 1.920 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1c1nc2sccn2c1C[NH3+] ZINC000061646079 521875943 /nfs/dbraw/zinc/87/59/43/521875943.db2.gz GIHKTHRSAODTFA-SNVBAGLBSA-N 2 0 279.413 1.385 10 0 CDAERP C[NH2+]C(C)(C)C(=O)Nc1cc(C[NH+](C)C)ccc1OC ZINC000061300796 521940493 /nfs/dbraw/zinc/94/04/93/521940493.db2.gz DVJPJEFZHYVSIX-UHFFFAOYSA-N 2 0 279.384 1.693 10 0 CDAERP C[NH2+]CC1(C[N@@H+]2CCC[C@H]2CCCO)CCOCC1 ZINC000052763431 521967747 /nfs/dbraw/zinc/96/77/47/521967747.db2.gz ZTDKZFPCHXBULD-AWEZNQCLSA-N 2 0 270.417 1.240 10 0 CDAERP C[NH2+]C[C@@H]1CC[C@@H](CN2CC[NH+](C3CCCC3)CC2)O1 ZINC000052573544 522058246 /nfs/dbraw/zinc/05/82/46/522058246.db2.gz AYYHYCAHAGVPPN-HOTGVXAUSA-N 2 0 281.444 1.314 10 0 CDAERP CC[C@@H](C)[N@H+](CCOC)CCn1cc(C[NH2+]C(C)C)nn1 ZINC000052547345 522093561 /nfs/dbraw/zinc/09/35/61/522093561.db2.gz LHNJFVUOFZTSTI-CQSZACIVSA-N 2 0 297.447 1.523 10 0 CDAERP C[NH2+]Cc1c(C)cc(C)nc1N1CCC[C@@H]1C[NH+](C)C ZINC000061654187 522099058 /nfs/dbraw/zinc/09/90/58/522099058.db2.gz QPTJUVISOREOKJ-CQSZACIVSA-N 2 0 276.428 1.948 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)c2cccc(C[NH3+])c2)CC1 ZINC000055064283 522115341 /nfs/dbraw/zinc/11/53/41/522115341.db2.gz BQQCCWSXLPVXRX-CYBMUJFWSA-N 2 0 275.396 1.702 10 0 CDAERP C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CN(C)C ZINC000061654538 522133297 /nfs/dbraw/zinc/13/32/97/522133297.db2.gz JSVGAQYOWLUGBY-INIZCTEOSA-N 2 0 261.413 1.932 10 0 CDAERP C[NH2+]Cc1cnc(N2CCC[C@@H]2C[NH+](C)C)c(Cl)c1 ZINC000061654232 522145707 /nfs/dbraw/zinc/14/57/07/522145707.db2.gz GHZMOIWNTHWXAW-GFCCVEGCSA-N 2 0 282.819 1.985 10 0 CDAERP CC[C@H]([NH3+])[C@H](c1ccccn1)N1CCC[C@@H]1C[NH+](C)C ZINC000061642209 522344685 /nfs/dbraw/zinc/34/46/85/522344685.db2.gz XIBBMFDIEXWSLR-IJEWVQPXSA-N 2 0 276.428 1.886 10 0 CDAERP COCC[NH+](CCCCC[NH2+]C(C)C)CCOC ZINC000052571468 523692904 /nfs/dbraw/zinc/69/29/04/523692904.db2.gz NSTDDYUOLLETSH-UHFFFAOYSA-N 2 0 260.422 1.750 10 0 CDAERP CCn1nccc1CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339432721 523720948 /nfs/dbraw/zinc/72/09/48/523720948.db2.gz KZCVHWBJALOKBY-INIZCTEOSA-N 2 0 276.428 1.863 10 0 CDAERP C[N@@H+]1CCCN(C(=O)C[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000055124348 523802321 /nfs/dbraw/zinc/80/23/21/523802321.db2.gz RFWRUFZSELLNDA-OLZOCXBDSA-N 2 0 253.390 1.058 10 0 CDAERP COCC[NH2+]Cc1ccccc1OCC[NH+]1CCCC1 ZINC000062729625 523955619 /nfs/dbraw/zinc/95/56/19/523955619.db2.gz UBUBJISJSVBHHF-UHFFFAOYSA-N 2 0 278.396 1.897 10 0 CDAERP CC[C@H](C)[NH+]1CCN(Cc2cccnc2C[NH3+])CC1 ZINC000061656949 523956743 /nfs/dbraw/zinc/95/67/43/523956743.db2.gz QDPCGPKWASGHGA-ZDUSSCGKSA-N 2 0 262.401 1.456 10 0 CDAERP C[C@H](C[NH3+])C[N@@H+]1CCCN(c2ncccc2F)CC1 ZINC000054700362 524308137 /nfs/dbraw/zinc/30/81/37/524308137.db2.gz OZSUJLFXOZJCOZ-GFCCVEGCSA-N 2 0 266.364 1.328 10 0 CDAERP C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CCC[C@@H]1CCC[NH2+]1 ZINC000052764499 524389866 /nfs/dbraw/zinc/38/98/66/524389866.db2.gz DVYBGWFMAWHTTJ-AVGNSLFASA-N 2 0 253.390 1.104 10 0 CDAERP C[C@@H](CC[NH2+]C(C)(C)C)N1CCN(CC[NH+](C)C)CC1 ZINC000061655028 524499360 /nfs/dbraw/zinc/49/93/60/524499360.db2.gz BCTVIWRQVZXLAA-HNNXBMFYSA-N 2 0 284.492 1.332 10 0 CDAERP c1ccc([C@@H]2C[C@@H]2[NH2+]CCN2CCC[NH2+]CC2)cc1 ZINC000061275646 526494320 /nfs/dbraw/zinc/49/43/20/526494320.db2.gz DYZHUSDYIUKLIM-HOTGVXAUSA-N 2 0 259.397 1.427 10 0 CDAERP [NH3+]C1CCC(CCC(=O)NCC[NH+]2CCCCC2)CC1 ZINC000055138399 527138948 /nfs/dbraw/zinc/13/89/48/527138948.db2.gz VFUOEAACNNUCHW-UHFFFAOYSA-N 2 0 281.444 1.886 10 0 CDAERP [NH3+]CCCCC[N@@H+]1CCCN(C(=O)C2CCOCC2)CC1 ZINC000061670898 527174435 /nfs/dbraw/zinc/17/44/35/527174435.db2.gz BBDHFKYBQOVHTB-UHFFFAOYSA-N 2 0 297.443 1.076 10 0 CDAERP [NH3+]C[C@@H](c1ccco1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062977780 527207915 /nfs/dbraw/zinc/20/79/15/527207915.db2.gz WYJNAPORZRSNMD-KBPBESRZSA-N 2 0 263.385 1.840 10 0 CDAERP [NH3+]C[C@]1(CN2CCC([NH+]3CCCCC3)CC2)CCOC1 ZINC000051249912 527242278 /nfs/dbraw/zinc/24/22/78/527242278.db2.gz DLINOMKRTCYFKO-INIZCTEOSA-N 2 0 281.444 1.302 10 0 CDAERP [NH3+]Cc1cc(CN2CC[C@H]([NH+]3CCCCC3)C2)ccn1 ZINC000068750592 527248018 /nfs/dbraw/zinc/24/80/18/527248018.db2.gz ZMZLWSFYGJJRNT-INIZCTEOSA-N 2 0 274.412 1.601 10 0 CDAERP [NH3+]Cc1cccc(NC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c1 ZINC000062943228 527258642 /nfs/dbraw/zinc/25/86/42/527258642.db2.gz KMDMUNUZUFPHMO-HNNXBMFYSA-N 2 0 288.395 1.847 10 0 CDAERP [NH3+][C@@H]1CC[C@@H](C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000246501404 527365116 /nfs/dbraw/zinc/36/51/16/527365116.db2.gz PVKXXGBYGMAICN-MGPQQGTHSA-N 2 0 265.401 1.058 10 0 CDAERP [NH3+][C@H]1CCCC[C@@H]1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000055088886 527395554 /nfs/dbraw/zinc/39/55/54/527395554.db2.gz GSMHJZSSATXMHK-HOTGVXAUSA-N 2 0 293.455 1.981 10 0 CDAERP CC(C)(C[NH3+])NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000418122558 535067074 /nfs/dbraw/zinc/06/70/74/535067074.db2.gz FVOGKRXIHPESRC-UHFFFAOYSA-N 2 0 268.405 1.040 10 0 CDAERP CCN(CC)C(=O)C1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420293814 535397891 /nfs/dbraw/zinc/39/78/91/535397891.db2.gz ALZKBEFVJNPRTI-OAHLLOKOSA-N 2 0 295.471 1.957 10 0 CDAERP CCC[C@@](C)([NH3+])C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000262705152 535524368 /nfs/dbraw/zinc/52/43/68/535524368.db2.gz LQWXICHSVLALBB-GOEBONIOSA-N 2 0 297.443 1.075 10 0 CDAERP CCn1cc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cn1 ZINC000121092590 536045443 /nfs/dbraw/zinc/04/54/43/536045443.db2.gz GNBKUHBIZJFLCH-CQSZACIVSA-N 2 0 294.443 1.428 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CC(=O)N(C)C1CCCCC1 ZINC000422817411 536592943 /nfs/dbraw/zinc/59/29/43/536592943.db2.gz HOPGEOXHPYDDGH-CYBMUJFWSA-N 2 0 285.432 1.121 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000234735109 536596245 /nfs/dbraw/zinc/59/62/45/536596245.db2.gz BRHMLRHOTJGRIY-CYBMUJFWSA-N 2 0 280.368 1.301 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000422883644 536596681 /nfs/dbraw/zinc/59/66/81/536596681.db2.gz COUBMQYPIAREAG-UONOGXRCSA-N 2 0 278.396 1.896 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=S)NCC[NH+](C)C)[C@H](C)C1 ZINC000741487189 576561744 /nfs/dbraw/zinc/56/17/44/576561744.db2.gz JYYPUDXOCXXION-CHWSQXEVSA-N 2 0 286.489 1.085 10 0 CDAERP C[NH+](C)Cc1ccc(C[N@H+](C)[C@@H]2CCNC2=O)cc1 ZINC000770383218 575443874 /nfs/dbraw/zinc/44/38/74/575443874.db2.gz UQPBBKYLHNNYNU-CQSZACIVSA-N 2 0 261.369 1.069 10 0 CDAERP CC(C)[C@H](C(=O)NC1CC([NH+](C)C)C1)[NH+]1CCCCC1 ZINC000773485550 575815148 /nfs/dbraw/zinc/81/51/48/575815148.db2.gz CJKFMRHHPYPFNE-YMAMQOFZSA-N 2 0 281.444 1.706 10 0 CDAERP C[C@@H]1CN(C)C[C@H]1[NH2+]CCc1ccc(Cl)nc1 ZINC000760703121 576503315 /nfs/dbraw/zinc/50/33/15/576503315.db2.gz XGYFUFXRXLXIEL-ZYHUDNBSSA-N 2 0 253.777 1.817 10 0 CDAERP CN(C(=O)C1([NH+](C)C)CCC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000763044662 576703621 /nfs/dbraw/zinc/70/36/21/576703621.db2.gz OKOHOICSHNHDFH-ZDUSSCGKSA-N 2 0 265.401 1.166 10 0 CDAERP [NH3+][C@H]1C[C@@H]([NH2+]CCCN2CCCCCC2=O)C12CCC2 ZINC000925508434 617396675 /nfs/dbraw/zinc/39/66/75/617396675.db2.gz HBEIWFSWEOAYDW-UONOGXRCSA-N 2 0 279.428 1.639 10 0 CDAERP Cn1cc([C@H](O)C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)cn1 ZINC000925515884 617424521 /nfs/dbraw/zinc/42/45/21/617424521.db2.gz JOCMYNZBTIJUQK-OWCLPIDISA-N 2 0 292.427 1.211 10 0 CDAERP CC1(C)C[C@@H]([NH2+][C@H]2CCc3n[nH]cc3C2)C[C@@H]([NH3+])C1 ZINC000925583199 617531457 /nfs/dbraw/zinc/53/14/57/617531457.db2.gz KJNKKRAKXVISLG-AGIUHOORSA-N 2 0 262.401 1.763 10 0 CDAERP COCC[C@](C)(O)C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925614052 617559064 /nfs/dbraw/zinc/55/90/64/617559064.db2.gz WRSVRHCMLHQXAM-XHSDSOJGSA-N 2 0 284.444 1.532 10 0 CDAERP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H]1CC[C@H](CO)CC1)[NH2+]2 ZINC000925614252 617559115 /nfs/dbraw/zinc/55/91/15/617559115.db2.gz HMCRUVXYHNANIE-PLJUSGQGSA-N 2 0 252.402 1.656 10 0 CDAERP CC1(C)[C@H]([NH2+]CCc2ccncc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925616328 617561520 /nfs/dbraw/zinc/56/15/20/617561520.db2.gz QZNRYLXIXORWLX-QLFBSQMISA-N 2 0 259.397 1.990 10 0 CDAERP CC(C)[C@H](O)C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925617231 617562316 /nfs/dbraw/zinc/56/23/16/617562316.db2.gz BVSWXIXVEXXCTF-QLFBSQMISA-N 2 0 254.418 1.761 10 0 CDAERP O[C@]1(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CCSC1 ZINC000925623450 617570837 /nfs/dbraw/zinc/57/08/37/617570837.db2.gz RHHOKYRPHPQNOQ-KKUMJFAQSA-N 2 0 284.469 1.612 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]CCc2ccc3c[nH]nc3c2)C12CCC2 ZINC000925665359 617616207 /nfs/dbraw/zinc/61/62/07/617616207.db2.gz DPQJCTNUHJRBHT-CABCVRRESA-N 2 0 270.380 1.965 10 0 CDAERP C(C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)CN1CC[NH2+]CC1 ZINC000925688772 617683406 /nfs/dbraw/zinc/68/34/06/617683406.db2.gz FLUUTQHQRFZTAN-DLBZAZTESA-N 3 0 294.487 1.040 10 0 CDAERP FC1(F)CC[NH2+]C[C@@H]1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000925784308 617704225 /nfs/dbraw/zinc/70/42/25/617704225.db2.gz QOTYOXPWLSZELC-UPJWGTAASA-N 2 0 273.371 1.448 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000926290355 617760230 /nfs/dbraw/zinc/76/02/30/617760230.db2.gz MWMVJWGIFOAQNA-IINVVDAPSA-N 2 0 277.456 1.933 10 0 CDAERP C[C@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000925833397 617859076 /nfs/dbraw/zinc/85/90/76/617859076.db2.gz HJSNMXUGHPEZET-SRVKXCTJSA-N 2 0 281.366 1.989 10 0 CDAERP COC[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)C1CCCC1 ZINC000925846783 617881748 /nfs/dbraw/zinc/88/17/48/617881748.db2.gz PDOOTORUZWULOF-KRWDZBQOSA-N 2 0 297.487 1.857 10 0 CDAERP [NH3+][C@@H]1C[C@H](NC[C@@H](n2cccn2)C(F)(F)F)C12CCC2 ZINC000925723655 617885508 /nfs/dbraw/zinc/88/55/08/617885508.db2.gz SRSBAAOTPBRIMY-OUAUKWLOSA-N 2 0 288.317 1.846 10 0 CDAERP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925877714 617955454 /nfs/dbraw/zinc/95/54/54/617955454.db2.gz VJHKGNZIQRYEBR-UPJWGTAASA-N 2 0 255.406 1.350 10 0 CDAERP C(C[NH2+]C1CC1)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000923363116 618322969 /nfs/dbraw/zinc/32/29/69/618322969.db2.gz UILYMBLEQHYQLC-ZIAGYGMSSA-N 3 0 251.418 1.450 10 0 CDAERP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@H](O)CCc1ccccc1)C2 ZINC000923424638 618329995 /nfs/dbraw/zinc/32/99/95/618329995.db2.gz HKVYLAOBDNKPIW-GVDBMIGSSA-N 2 0 274.408 1.521 10 0 CDAERP CCOCC[C@H](O)C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000923426837 618333227 /nfs/dbraw/zinc/33/32/27/618333227.db2.gz HCQAPNPPKMEZGD-LSDHHAIUSA-N 2 0 270.417 1.240 10 0 CDAERP CC(C)[C@@H]1COCC[C@@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000925022294 618794257 /nfs/dbraw/zinc/79/42/57/618794257.db2.gz FXWNTMUHDCHWJG-IKGGRYGDSA-N 2 0 298.471 1.874 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCN2C(C)(C)C)C1 ZINC000895833651 619867531 /nfs/dbraw/zinc/86/75/31/619867531.db2.gz BUEXOHVFQKTYKA-RYUDHWBXSA-N 2 0 253.390 1.070 10 0 CDAERP C[NH+]1CCC(C[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)CC1 ZINC000902792527 625407570 /nfs/dbraw/zinc/40/75/70/625407570.db2.gz BJEFFDOYWSFAMC-AALSBFMBSA-N 2 0 264.413 1.731 10 0 CDAERP CCN(C(=O)[C@@H]1CC[NH+]1C(C)(C)C)[C@H]1CC[N@H+](C)C1 ZINC000898587897 621801493 /nfs/dbraw/zinc/80/14/93/621801493.db2.gz SMSJRBXEXOVEAR-STQMWFEESA-N 2 0 267.417 1.412 10 0 CDAERP CC[NH+](CC)CCCCNC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900688654 623375160 /nfs/dbraw/zinc/37/51/60/623375160.db2.gz LYJRCSQOUJJEQV-INIZCTEOSA-N 2 0 299.459 1.071 10 0 CDAERP C(COC1CCSCC1)N[C@H]1CC[NH2+]C12CCC2 ZINC000902522865 624925556 /nfs/dbraw/zinc/92/55/56/624925556.db2.gz YWBBOGNQRSZJHD-ZDUSSCGKSA-N 2 0 270.442 1.773 10 0 CDAERP C([NH2+][C@@H]1CCO[C@@]12CCOC2)C1CC[NH+](C2CC2)CC1 ZINC000903158949 625870437 /nfs/dbraw/zinc/87/04/37/625870437.db2.gz DNNLIVCYDRSRCJ-HZPDHXFCSA-N 2 0 280.412 1.398 10 0 CDAERP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903445190 625998538 /nfs/dbraw/zinc/99/85/38/625998538.db2.gz HQJCZHWIOINCHL-KFWWJZLASA-N 3 0 253.434 1.778 10 0 CDAERP CC(F)(F)CCC[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000903449849 625999934 /nfs/dbraw/zinc/99/99/34/625999934.db2.gz ITGYSSUAUHVILD-LBPRGKRZSA-N 2 0 291.386 1.741 10 0 CDAERP [NH3+][C@@H]1CC[C@H](CN2CC[NH2+]C[C@H]2c2cccc(F)c2)C1 ZINC000903452515 626000861 /nfs/dbraw/zinc/00/08/61/626000861.db2.gz OJXQNEJDUGVCTH-MAZHCROVSA-N 2 0 277.387 1.899 10 0 CDAERP C(C[NH2+][C@H]1CC[NH2+]C12CCC2)COC[C@@H]1CCCO1 ZINC000903470132 626003596 /nfs/dbraw/zinc/00/35/96/626003596.db2.gz GLOJSQISRQJVPS-KBPBESRZSA-N 2 0 268.401 1.446 10 0 CDAERP C(C[NH2+][C@@H]1CC[NH2+]C12CCCC2)CO[C@H]1CCOC1 ZINC000903484212 626007515 /nfs/dbraw/zinc/00/75/15/626007515.db2.gz PREOZRCODGSTJE-UONOGXRCSA-N 2 0 268.401 1.446 10 0 CDAERP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496824 626011905 /nfs/dbraw/zinc/01/19/05/626011905.db2.gz FYDKFVHXAWCSFL-JHJVBQTASA-N 2 0 255.406 1.158 10 0 CDAERP C[C@@H]1C[N@@H+]([C@H](C(=O)N(C)C)c2ccccc2)C[C@H]1CC[NH3+] ZINC000903496449 626012222 /nfs/dbraw/zinc/01/22/22/626012222.db2.gz OFPJEPWZCJIJHB-BMFZPTHFSA-N 2 0 289.423 1.733 10 0 CDAERP C[C@@H]1C[N@H+](Cc2nnnn2-c2ccccc2)C[C@H]1CC[NH3+] ZINC000903496319 626012260 /nfs/dbraw/zinc/01/22/60/626012260.db2.gz JZQBOTYYTMWDQV-CHWSQXEVSA-N 2 0 286.383 1.079 10 0 CDAERP C[NH2+]C[C@@H]1CCCCN1CCCN1CC[NH+](C(C)C)CC1 ZINC000903529002 626017758 /nfs/dbraw/zinc/01/77/58/626017758.db2.gz BJOFOQNITKHYFI-KRWDZBQOSA-N 2 0 296.503 1.476 10 0 CDAERP C[NH2+]C[C@@H]1CCCCN1C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000903529205 626017800 /nfs/dbraw/zinc/01/78/00/626017800.db2.gz OUGOMQDWUXGATM-HOTGVXAUSA-N 2 0 291.439 1.811 10 0 CDAERP C([NH2+][C@H]1CCCC12CCOCC2)[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903757326 626088099 /nfs/dbraw/zinc/08/80/99/626088099.db2.gz CHADRSHSCCMABS-JYJNAYRXSA-N 2 0 294.439 1.694 10 0 CDAERP C[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCCCNC1=O ZINC000903888510 626123652 /nfs/dbraw/zinc/12/36/52/626123652.db2.gz DQCKRKADWOTODE-GSPSYOTPSA-N 2 0 265.401 1.118 10 0 CDAERP CCOC(=O)C[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000903885601 626133047 /nfs/dbraw/zinc/13/30/47/626133047.db2.gz MSWHVPJRQLVDOK-YHWZYXNKSA-N 2 0 266.385 1.545 10 0 CDAERP O=c1cc2c(n[nH]1)CC[N@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000903914625 626134028 /nfs/dbraw/zinc/13/40/28/626134028.db2.gz KAYCZPIUYJWEIC-VGPLMAKISA-N 2 0 274.368 1.071 10 0 CDAERP C[C@@H]([N@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1)C1(C)CC1 ZINC000903898896 626137512 /nfs/dbraw/zinc/13/75/12/626137512.db2.gz PBIFYOZDFXPYES-CHWSQXEVSA-N 2 0 277.416 1.823 10 0 CDAERP CC(=O)N1CC[C@@H](C[N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903899538 626137822 /nfs/dbraw/zinc/13/78/22/626137822.db2.gz TVCBZTUKIKUOOK-HNSVSWJLSA-N 2 0 279.428 1.317 10 0 CDAERP CC[N@H+](C[C@@H](C[NH3+])Cc1cnn(C)c1C)CC1CCC1 ZINC000903909443 626143109 /nfs/dbraw/zinc/14/31/09/626143109.db2.gz UYZPCPJMPGEFPW-OAHLLOKOSA-N 2 0 278.444 1.968 10 0 CDAERP c1ccc2c(c1)CCN[C@H]2C[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918515 626146093 /nfs/dbraw/zinc/14/60/93/626146093.db2.gz AVIBMLVGPGRKTO-NZZOQPFGSA-N 2 0 285.435 1.994 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@]3(CC3(F)F)C2)cnn1C ZINC000903931434 626151367 /nfs/dbraw/zinc/15/13/67/626151367.db2.gz DPMCEISGAUNSDM-OCCSQVGLSA-N 2 0 298.381 1.577 10 0 CDAERP CC1([NH+]2CCCC2)CCN(C[C@@H]([NH3+])CC(F)F)CC1 ZINC000903934725 626153319 /nfs/dbraw/zinc/15/33/19/626153319.db2.gz JFFRLAYTFXMKTI-LBPRGKRZSA-N 2 0 275.387 1.919 10 0 CDAERP [NH3+][C@H](CC(F)F)CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000903934225 626153470 /nfs/dbraw/zinc/15/34/70/626153470.db2.gz DZBGBMIOLWCBSE-CHWSQXEVSA-N 2 0 291.386 1.059 10 0 CDAERP C[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1nnnn1C1CC1 ZINC000903937201 626155274 /nfs/dbraw/zinc/15/52/74/626155274.db2.gz DWGNEOXUCJDDCT-YEJSDXFRSA-N 2 0 276.388 1.189 10 0 CDAERP COC[C@H](CC(C)C)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903958182 626158119 /nfs/dbraw/zinc/15/81/19/626158119.db2.gz WWGLDIMRNKNNOV-NEPJUHHUSA-N 2 0 264.360 1.882 10 0 CDAERP [NH3+]CCN(Cc1cccc(Cl)c1)CC1(C[NH3+])CC1 ZINC000903953195 626166145 /nfs/dbraw/zinc/16/61/45/626166145.db2.gz BYZLEMYSUWOHIF-UHFFFAOYSA-N 2 0 267.804 1.840 10 0 CDAERP CCc1nn(C)c(CC)c1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903964240 626171054 /nfs/dbraw/zinc/17/10/54/626171054.db2.gz GBIKIUWRNRNWMH-NEPJUHHUSA-N 2 0 264.417 1.490 10 0 CDAERP c1oc2ccccc2c1CN1CC[NH2+]CC[NH2+]CC1 ZINC000904396088 626273188 /nfs/dbraw/zinc/27/31/88/626273188.db2.gz CXORHERWMPGGOV-UHFFFAOYSA-N 2 0 259.353 1.428 10 0 CDAERP C[NH+](C)CC(C)(C)CNC(=[NH2+])NC[C@@H]1CCCS1 ZINC000905041897 626381380 /nfs/dbraw/zinc/38/13/80/626381380.db2.gz NQIOBHUYAPKCOF-NSHDSACASA-N 2 0 272.462 1.584 10 0 CDAERP Nc1cc[nH+]cc1-c1nc(CC2CC[NH2+]CC2)no1 ZINC000905315619 626745019 /nfs/dbraw/zinc/74/50/19/626745019.db2.gz WVGWJNVGJRENKZ-UHFFFAOYSA-N 2 0 259.313 1.086 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000906651984 627357715 /nfs/dbraw/zinc/35/77/15/627357715.db2.gz FBNQYUCODDBUHI-ZBFHGGJFSA-N 2 0 293.455 1.804 10 0 CDAERP C[N@@H+]1CCC[C@@](O)(CC(=O)Nc2ccn3ccnc3c2)C1 ZINC000907904739 627895587 /nfs/dbraw/zinc/89/55/87/627895587.db2.gz MXPYTKLUQCIBPO-OAHLLOKOSA-N 2 0 288.351 1.120 10 0 CDAERP C[C@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C[NH+]2CCC1CC2 ZINC000912373506 629970178 /nfs/dbraw/zinc/97/01/78/629970178.db2.gz FEDPGNQPHCRPFQ-JMSVASOKSA-N 2 0 274.368 1.114 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000913287305 630436120 /nfs/dbraw/zinc/43/61/20/630436120.db2.gz ACEMDXNFIPZAKX-HUUCEWRRSA-N 2 0 267.417 1.128 10 0 CDAERP CCCCCC[N@H+](C)CC(=O)NC12CC[NH+](CC1)C2 ZINC000913630062 630719582 /nfs/dbraw/zinc/71/95/82/630719582.db2.gz XMZJOZARIUDEBF-UHFFFAOYSA-N 2 0 267.417 1.463 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000913881166 630863088 /nfs/dbraw/zinc/86/30/88/630863088.db2.gz NUZRJPNPHXVULN-TZMCWYRMSA-N 2 0 282.432 1.251 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000915679089 631791943 /nfs/dbraw/zinc/79/19/43/631791943.db2.gz VNISQKNYGPMGSS-HIFRSBDPSA-N 2 0 296.459 1.500 10 0 CDAERP C[C@@H]1[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC[N@@H+]1C ZINC000920658140 632820801 /nfs/dbraw/zinc/82/08/01/632820801.db2.gz CQLLAUOTISCVSA-VAQLIOGMSA-N 2 0 294.443 1.394 10 0 CDAERP CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000925345310 633183868 /nfs/dbraw/zinc/18/38/68/633183868.db2.gz VAEUEYNZTLYNOS-LSDHHAIUSA-N 2 0 296.459 1.596 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000921704023 633215129 /nfs/dbraw/zinc/21/51/29/633215129.db2.gz GGZGLFWBHQWGJJ-YYIAUSFCSA-N 2 0 295.471 1.417 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]CCCF ZINC001266854421 1158907468 /nfs/dbraw/zinc/90/74/68/1158907468.db2.gz NURYFBKMRBJHPV-AWEZNQCLSA-N 2 0 287.423 1.657 10 0 CDAERP CCc1cccc(C[N@H+](C)CCNC(=O)CC[NH+](C)C)c1 ZINC001480907299 1159023807 /nfs/dbraw/zinc/02/38/07/1159023807.db2.gz CHBYTTQQDAXMHY-UHFFFAOYSA-N 2 0 291.439 1.749 10 0 CDAERP C[C@@H]1CC[C@@H](C[NH2+]CCN(C)C(=O)C[N@H+](C)C2CCC2)O1 ZINC001691347785 1159030182 /nfs/dbraw/zinc/03/01/82/1159030182.db2.gz KLNCNRKKQSSDBA-HIFRSBDPSA-N 2 0 297.443 1.086 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2[NH2+]1 ZINC000251206949 1159781139 /nfs/dbraw/zinc/78/11/39/1159781139.db2.gz LPUDYFXVGZDQLP-TUVASFSCSA-N 2 0 281.444 1.754 10 0 CDAERP COCC[NH2+]CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001268402325 1159925982 /nfs/dbraw/zinc/92/59/82/1159925982.db2.gz GNOBSORZJWPCNZ-LSDHHAIUSA-N 2 0 299.459 1.382 10 0 CDAERP CC[C@H](C)C[N@H+](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001483348272 1160909430 /nfs/dbraw/zinc/90/94/30/1160909430.db2.gz WIXKRIDOTLDEIW-UONOGXRCSA-N 2 0 283.460 1.953 10 0 CDAERP [NH3+]CCCCNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000227236253 1161422290 /nfs/dbraw/zinc/42/22/90/1161422290.db2.gz LJABSDWAGNQVRZ-AVGNSLFASA-N 2 0 253.390 1.152 10 0 CDAERP CCN1CC[C@H]([N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)C1=O ZINC000866708992 1164813969 /nfs/dbraw/zinc/81/39/69/1164813969.db2.gz UIHFVOUZCQONGI-SWLSCSKDSA-N 2 0 267.417 1.304 10 0 CDAERP CC[C@H]1C[N@H+](C)CCCN1C(=O)[C@@H](C)CC[NH+](C)C ZINC001618488641 1165633943 /nfs/dbraw/zinc/63/39/43/1165633943.db2.gz LICAFNCMZMGMRZ-KBPBESRZSA-N 2 0 269.433 1.517 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NCC1([NH+](C)C)CCCC1 ZINC001624689589 1165860294 /nfs/dbraw/zinc/86/02/94/1165860294.db2.gz IWVZTMLGMAJUJU-ZDUSSCGKSA-N 2 0 269.433 1.565 10 0 CDAERP CC[N@@H+]1CCCN(C(=O)[C@@H](C)CC[NH+](C)C)[C@H](C)C1 ZINC001629366624 1166134690 /nfs/dbraw/zinc/13/46/90/1166134690.db2.gz ACGLUKKIDTZKSF-UONOGXRCSA-N 2 0 269.433 1.517 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@@H](C)CC[NH+](C)C ZINC001631825734 1166305685 /nfs/dbraw/zinc/30/56/85/1166305685.db2.gz IZDITLWKISGEHP-QWHCGFSZSA-N 2 0 257.422 1.277 10 0 CDAERP CC(C)[C@@H](C(=O)NC1CC(C[NH2+]CCF)C1)[NH+](C)C ZINC001275310449 1166665738 /nfs/dbraw/zinc/66/57/38/1166665738.db2.gz JVJXOWLLNXFYCF-BPCQOVAHSA-N 2 0 273.396 1.027 10 0 CDAERP CC[N@H+](C)[C@H]1CCN(C(=O)NCCC[NH+](C)CC(C)C)C1 ZINC001636661600 1166689628 /nfs/dbraw/zinc/68/96/28/1166689628.db2.gz FWGMBJUSGMWGET-HNNXBMFYSA-N 2 0 298.475 1.700 10 0 CDAERP C[N@@H+]1CC[C@@H]1CNC(=O)N1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001646950621 1168281377 /nfs/dbraw/zinc/28/13/77/1168281377.db2.gz QGJPUOAUZFSLMZ-GFCCVEGCSA-N 2 0 282.432 1.253 10 0 CDAERP CC/C=C/CC[NH+]1CC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001567846538 1169013956 /nfs/dbraw/zinc/01/39/56/1169013956.db2.gz XOCWNHIBMUOSJV-RGDDUWESSA-N 2 0 293.455 1.733 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](CC[NH2+]CC2CC2)C1 ZINC001568050651 1169127954 /nfs/dbraw/zinc/12/79/54/1169127954.db2.gz RCASVEKUHPAKCV-HZPDHXFCSA-N 2 0 293.455 1.709 10 0 CDAERP CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001568060531 1169129815 /nfs/dbraw/zinc/12/98/15/1169129815.db2.gz OKBLDKIOXHWTEC-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001571390146 1170405903 /nfs/dbraw/zinc/40/59/03/1170405903.db2.gz ZYRPACAXGZAMPL-KGLIPLIRSA-N 2 0 269.433 1.707 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[N@H+](C)CC)C1 ZINC001571488723 1170451812 /nfs/dbraw/zinc/45/18/12/1170451812.db2.gz HCYBNRUYWWDRJD-KGLIPLIRSA-N 2 0 269.433 1.707 10 0 CDAERP CCOCC[NH2+][C@@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001662377582 1172538976 /nfs/dbraw/zinc/53/89/76/1172538976.db2.gz LKOLFCNYSHKELC-AWEZNQCLSA-N 2 0 299.459 1.238 10 0 CDAERP CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001662630711 1172572318 /nfs/dbraw/zinc/57/23/18/1172572318.db2.gz MPJBSLJFFQHQRQ-ZFWWWQNUSA-N 2 0 279.428 1.176 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CCC(C)C)C1 ZINC001662710621 1172583876 /nfs/dbraw/zinc/58/38/76/1172583876.db2.gz BDVPKUNJTLOOLU-HNNXBMFYSA-N 2 0 283.460 1.812 10 0 CDAERP CC[NH+](CC)CCCCNC(=O)c1ccccc1C[NH3+] ZINC000082699541 1173283547 /nfs/dbraw/zinc/28/35/47/1173283547.db2.gz QHXGCVOSRZHAGX-UHFFFAOYSA-N 2 0 277.412 1.997 10 0 CDAERP CC[C@H](C)C[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001668525022 1173422443 /nfs/dbraw/zinc/42/24/43/1173422443.db2.gz RKQJADKSVPLSJX-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC1CCC1 ZINC001668976577 1173486051 /nfs/dbraw/zinc/48/60/51/1173486051.db2.gz BFBZYXUYMGJWDI-BAABZTOOSA-N 2 0 265.401 1.143 10 0 CDAERP CC(C)CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001669925726 1173634021 /nfs/dbraw/zinc/63/40/21/1173634021.db2.gz UWRPSRHMASKRTE-UONOGXRCSA-N 2 0 269.433 1.421 10 0 CDAERP CCOCC[NH2+][C@@H](C)[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001674746596 1174002228 /nfs/dbraw/zinc/00/22/28/1174002228.db2.gz CWPXRQZFGPDWJK-GJZGRUSLSA-N 2 0 299.459 1.238 10 0 CDAERP CC[N@H+](C)C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001676082001 1174179274 /nfs/dbraw/zinc/17/92/74/1174179274.db2.gz CSODSNJEOIQFRC-UHFFFAOYSA-N 2 0 255.406 1.269 10 0 CDAERP CC(C)=CC[NH2+][C@H](CNC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001690164847 1175392559 /nfs/dbraw/zinc/39/25/59/1175392559.db2.gz ODIFUEQJRFCEJC-OAHLLOKOSA-N 2 0 293.455 1.779 10 0 CDAERP C[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[NH2+]CCCF)CC1 ZINC001690477506 1175479521 /nfs/dbraw/zinc/47/95/21/1175479521.db2.gz QFABNANMZWUFFZ-OAHLLOKOSA-N 2 0 299.434 1.659 10 0 CDAERP COCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001690661496 1175539766 /nfs/dbraw/zinc/53/97/66/1175539766.db2.gz OPEMXZYRZWWEGY-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001690755588 1175565156 /nfs/dbraw/zinc/56/51/56/1175565156.db2.gz IQPGKHLOBMIUNY-QGZUEGPWSA-N 2 0 293.455 1.877 10 0 CDAERP CCC[NH2+]CC[C@@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001698683170 1175893992 /nfs/dbraw/zinc/89/39/92/1175893992.db2.gz PFYGERQYNKCXOJ-HNNXBMFYSA-N 2 0 283.460 1.957 10 0 CDAERP CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001698939398 1175989565 /nfs/dbraw/zinc/98/95/65/1175989565.db2.gz PWXBEINRDGXKEJ-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H](CC[NH2+]CCCF)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001699148597 1176113238 /nfs/dbraw/zinc/11/32/38/1176113238.db2.gz VCGBWOHERSZRLX-QWHCGFSZSA-N 2 0 273.396 1.172 10 0 CDAERP C[NH+](C)C1(C(=O)NC/C=C/C[NH2+]CC2CCC2)CCC1 ZINC001699258732 1176182488 /nfs/dbraw/zinc/18/24/88/1176182488.db2.gz BILKGKWMEHQROR-ONEGZZNKSA-N 2 0 279.428 1.533 10 0 CDAERP CC/C=C/CC[NH+]1CC([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001700542671 1177007233 /nfs/dbraw/zinc/00/72/33/1177007233.db2.gz IZPZFOHVZMTFGD-PSKZRQQASA-N 2 0 281.444 1.731 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001700628612 1177041759 /nfs/dbraw/zinc/04/17/59/1177041759.db2.gz AEYZVEYZAFUYLX-KKUMJFAQSA-N 2 0 281.444 1.611 10 0 CDAERP CCCCC[NH2+][C@@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001700767559 1177121946 /nfs/dbraw/zinc/12/19/46/1177121946.db2.gz LXYUSTWUUWFQTG-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C(C)(C)C ZINC001700986409 1177226768 /nfs/dbraw/zinc/22/67/68/1177226768.db2.gz HESYAJGZWSWTNV-OLZOCXBDSA-N 2 0 269.433 1.611 10 0 CDAERP Cc1cc(C[NH+](C)CCCNC(=O)C[N@@H+](C)C(C)C)on1 ZINC001712990487 1178289288 /nfs/dbraw/zinc/28/92/88/1178289288.db2.gz AFPIAHQRVWHMGA-UHFFFAOYSA-N 2 0 296.415 1.261 10 0 CDAERP CC/C=C/CC[NH2+][C@H]1C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001713169111 1178409764 /nfs/dbraw/zinc/40/97/64/1178409764.db2.gz HYTJFCYUFIGBGZ-BSAHJYFCSA-N 2 0 281.444 1.920 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001713208509 1178432398 /nfs/dbraw/zinc/43/23/98/1178432398.db2.gz OATQUVZFXUWWQP-OKILXGFUSA-N 2 0 267.417 1.530 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001713268870 1178461331 /nfs/dbraw/zinc/46/13/31/1178461331.db2.gz JMDGULOYAJMFRM-CABCVRRESA-N 2 0 299.434 1.801 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001713466520 1178585198 /nfs/dbraw/zinc/58/51/98/1178585198.db2.gz FZBXRWAQTHWRHI-ZIAGYGMSSA-N 2 0 269.433 1.422 10 0 CDAERP C[N@H+](CC(=O)N1CC[C@H]([NH2+]CCCF)C1)C1CCC1 ZINC001714325801 1179079343 /nfs/dbraw/zinc/07/93/43/1179079343.db2.gz RGFFMLMBTLWSQC-LBPRGKRZSA-N 2 0 271.380 1.021 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CCF ZINC001714395042 1179121891 /nfs/dbraw/zinc/12/18/91/1179121891.db2.gz ABXXONPSGBIFQR-QWHCGFSZSA-N 2 0 273.396 1.172 10 0 CDAERP Cc1ncoc1C[NH2+]CCN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001714713683 1179353380 /nfs/dbraw/zinc/35/33/80/1179353380.db2.gz CFQDXZHDLIYDMM-UHFFFAOYSA-N 2 0 294.399 1.015 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CN(CCCCCF)C1 ZINC001714955099 1179475100 /nfs/dbraw/zinc/47/51/00/1179475100.db2.gz SDMAKFGQFCMWFU-OAHLLOKOSA-N 2 0 299.434 1.801 10 0 CDAERP CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001715142400 1179563698 /nfs/dbraw/zinc/56/36/98/1179563698.db2.gz CCMAIQFLKNCTRC-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CCCF ZINC001715233425 1179590634 /nfs/dbraw/zinc/59/06/34/1179590634.db2.gz ZYGDFHNUQSJQNE-ZIAGYGMSSA-N 2 0 287.423 1.561 10 0 CDAERP CC(C)C[NH2+]C[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001715271340 1179603322 /nfs/dbraw/zinc/60/33/22/1179603322.db2.gz VVPWXKMNZMEIQL-UONOGXRCSA-N 2 0 269.433 1.326 10 0 CDAERP CCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001715325983 1179624415 /nfs/dbraw/zinc/62/44/15/1179624415.db2.gz DLENDDZAOCZMQA-HIFRSBDPSA-N 2 0 281.444 1.565 10 0 CDAERP CCC[NH2+]CC[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001715441791 1179669438 /nfs/dbraw/zinc/66/94/38/1179669438.db2.gz ALERCSQDRVYUCZ-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP CC[NH2+]CCN(CC)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001715775460 1179800275 /nfs/dbraw/zinc/80/02/75/1179800275.db2.gz NLAPHWYFHIUBAN-CHWSQXEVSA-N 2 0 255.406 1.317 10 0 CDAERP CO[C@H](C)C[NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001715854952 1179871607 /nfs/dbraw/zinc/87/16/07/1179871607.db2.gz SKIVWNOAWQDKCE-GEXIGZQTSA-N 2 0 297.443 1.158 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]C/C=C/Cl ZINC001716070453 1180029980 /nfs/dbraw/zinc/02/99/80/1180029980.db2.gz ZZZYNYGZVFYKSL-BLUMVJBISA-N 2 0 287.835 1.565 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]C/C=C\Cl ZINC001716070452 1180030046 /nfs/dbraw/zinc/03/00/46/1180030046.db2.gz ZZZYNYGZVFYKSL-BJLPKZDCSA-N 2 0 287.835 1.565 10 0 CDAERP C[C@H](CC[NH2+]CCC1CC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001716153271 1180073565 /nfs/dbraw/zinc/07/35/65/1180073565.db2.gz GGSQLPAWFUYEEL-CQSZACIVSA-N 2 0 293.455 1.899 10 0 CDAERP CC[C@H](F)C[NH2+]C/C=C/CNC(=O)CC1CC[NH+](C)CC1 ZINC001716352298 1180165103 /nfs/dbraw/zinc/16/51/03/1180165103.db2.gz OYHYPWGXKGPEML-RGDDUWESSA-N 2 0 299.434 1.728 10 0 CDAERP C[C@H](C[N@H+](C)CC1CCC1)NC(=O)C[NH+]1CCCC1 ZINC001716505559 1180260013 /nfs/dbraw/zinc/26/00/13/1180260013.db2.gz JZKMKHYKYSEXSS-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CN(C(=O)CCCC[NH+](C)C)CCO1 ZINC001717184393 1180564206 /nfs/dbraw/zinc/56/42/06/1180564206.db2.gz YPENIGSREIKCCD-HNNXBMFYSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)CC[NH2+]CC1CC(NC(=O)Cc2cncn2C)C1 ZINC001717393522 1180645238 /nfs/dbraw/zinc/64/52/38/1180645238.db2.gz AVALTBUWTFLPPG-UHFFFAOYSA-N 2 0 292.427 1.493 10 0 CDAERP CC(C)[NH2+][C@H](C)[C@H](C)NC(=O)CCc1c[nH]cn1 ZINC001717412996 1180659807 /nfs/dbraw/zinc/65/98/07/1180659807.db2.gz NMKUEMJBRQBENV-MNOVXSKESA-N 2 0 252.362 1.234 10 0 CDAERP C[C@H](CCC[NH2+]CCCF)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001717669614 1180785298 /nfs/dbraw/zinc/78/52/98/1180785298.db2.gz YGWAFVGDPXPVML-MGPQQGTHSA-N 2 0 287.423 1.561 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CCCOC)[C@@H]1C ZINC001717859725 1180898730 /nfs/dbraw/zinc/89/87/30/1180898730.db2.gz DOVSPRRZSDUSMT-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CCCOC)[C@H]1C ZINC001717859724 1180900048 /nfs/dbraw/zinc/90/00/48/1180900048.db2.gz DOVSPRRZSDUSMT-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP CCCC[NH2+]C1CC(N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001717996122 1180962485 /nfs/dbraw/zinc/96/24/85/1180962485.db2.gz QLDHNOCTTCVHND-UHFFFAOYSA-N 2 0 281.444 1.707 10 0 CDAERP CN(CCC[NH2+]CCCO)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001723024056 1181511654 /nfs/dbraw/zinc/51/16/54/1181511654.db2.gz XFJHAFFZKFRUMH-UHFFFAOYSA-N 2 0 299.459 1.071 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001723977202 1181626399 /nfs/dbraw/zinc/62/63/99/1181626399.db2.gz PWNRPQDEOMIKSE-GJZGRUSLSA-N 2 0 279.428 1.485 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CCF)C1 ZINC001724711212 1181731826 /nfs/dbraw/zinc/73/18/26/1181731826.db2.gz FJIFRYBGYSQMGO-HUUCEWRRSA-N 2 0 299.434 1.659 10 0 CDAERP CC[NH2+]CCC[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001725389359 1181985019 /nfs/dbraw/zinc/98/50/19/1181985019.db2.gz LYTANGVEZGICSP-LBPRGKRZSA-N 2 0 255.406 1.365 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N(C)[C@H](C[NH2+]CCF)C2CC2)C1 ZINC001725465945 1182009853 /nfs/dbraw/zinc/00/98/53/1182009853.db2.gz RTAADNXHPNZDAI-GXTWGEPZSA-N 2 0 285.407 1.124 10 0 CDAERP C[NH+](C)C1(C(=O)N2C[C@@H]([NH2+]CCCF)C(C)(C)C2)CCC1 ZINC001725662226 1182091346 /nfs/dbraw/zinc/09/13/46/1182091346.db2.gz HSMLDGIMEKUWRX-CYBMUJFWSA-N 2 0 299.434 1.657 10 0 CDAERP CC1(C)CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CCCF ZINC001725676400 1182094970 /nfs/dbraw/zinc/09/49/70/1182094970.db2.gz BIWXIGRVKUEXGY-CYBMUJFWSA-N 2 0 285.407 1.268 10 0 CDAERP CC[N@H+]1CC=C(CNC(=O)C[NH+](C)C2CCC2)CC1 ZINC001725816008 1182141640 /nfs/dbraw/zinc/14/16/40/1182141640.db2.gz FIUBSWSUDDYUSM-UHFFFAOYSA-N 2 0 265.401 1.239 10 0 CDAERP CC(C)=CC[N@@H+](C)CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001731263481 1182281991 /nfs/dbraw/zinc/28/19/91/1182281991.db2.gz UTQKRRKVZIBZLK-UHFFFAOYSA-N 2 0 281.444 1.733 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCCC[NH+](C)C/C=C/Cl ZINC001731286643 1182295535 /nfs/dbraw/zinc/29/55/35/1182295535.db2.gz NKSADOVTDXZJLJ-FNORWQNLSA-N 2 0 275.824 1.517 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H](C[NH2+]CCCF)C2)C1 ZINC001731530264 1182437265 /nfs/dbraw/zinc/43/72/65/1182437265.db2.gz OMULTGSZVWNPSW-ZIAGYGMSSA-N 2 0 285.407 1.126 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC(C)C ZINC001732196269 1182849483 /nfs/dbraw/zinc/84/94/83/1182849483.db2.gz VCONZSNJCDGZNB-STQMWFEESA-N 2 0 255.406 1.221 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCCF)CC2)C1 ZINC001732313042 1182902886 /nfs/dbraw/zinc/90/28/86/1182902886.db2.gz JIGSXJWLRVHWHB-MGPQQGTHSA-N 2 0 285.407 1.315 10 0 CDAERP C[C@@H](C[NH2+]CCC1CCCC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001732454625 1182973407 /nfs/dbraw/zinc/97/34/07/1182973407.db2.gz PDPYSQBWGWZXIZ-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[NH2+]C[C@H](CC(C)C)NC(=O)C1CC[NH+](C)CC1 ZINC001732472343 1182981770 /nfs/dbraw/zinc/98/17/70/1182981770.db2.gz ZLMDZDMPRYNQRN-HNNXBMFYSA-N 2 0 283.460 1.859 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CCF ZINC001732512756 1182993513 /nfs/dbraw/zinc/99/35/13/1182993513.db2.gz SGVUHZVLOZNSIX-GJZGRUSLSA-N 2 0 299.434 1.801 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CCF)CC1 ZINC001732618587 1183048904 /nfs/dbraw/zinc/04/89/04/1183048904.db2.gz AWINKYVMMFWIOQ-CHWSQXEVSA-N 2 0 285.407 1.172 10 0 CDAERP C[C@H](CC[NH2+]Cc1cccnc1)NC(=O)CC[NH+](C)C ZINC001732726120 1183101135 /nfs/dbraw/zinc/10/11/35/1183101135.db2.gz LGLMJQJCOAFDBZ-CYBMUJFWSA-N 2 0 278.400 1.018 10 0 CDAERP CCN(CC[NH2+]CCF)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001732806755 1183131718 /nfs/dbraw/zinc/13/17/18/1183131718.db2.gz IUBUNBFJRDRNRD-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001732909062 1183180524 /nfs/dbraw/zinc/18/05/24/1183180524.db2.gz QSCZPFLBZAOZRL-UZYOAWRESA-N 2 0 267.417 1.531 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC/C=C/C[NH2+]Cc1ccccn1 ZINC001732943301 1183192920 /nfs/dbraw/zinc/19/29/20/1183192920.db2.gz OFLDOERQRLUHFE-VOTSOKGWSA-N 2 0 290.411 1.184 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH2+]CC1CCCC1 ZINC001733145748 1183305424 /nfs/dbraw/zinc/30/54/24/1183305424.db2.gz UTIQVBUKIZSFRO-UHFFFAOYSA-N 2 0 283.460 1.955 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CCC2CC2)C1 ZINC001733643478 1183487481 /nfs/dbraw/zinc/48/74/81/1183487481.db2.gz WQXPHXLZQYZMKO-HOTGVXAUSA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH+](C)CCF ZINC001733782111 1183531787 /nfs/dbraw/zinc/53/17/87/1183531787.db2.gz YPWHLMCGDSOWQW-UHFFFAOYSA-N 2 0 261.385 1.076 10 0 CDAERP CN(C[C@@H]1CCC[N@@H+]1C)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000868391436 1164942303 /nfs/dbraw/zinc/94/23/03/1164942303.db2.gz KRAATFFYHDFGDY-HOCLYGCPSA-N 2 0 282.476 1.624 10 0 CDAERP CC/C=C(\F)C(=O)NCCN(C)CCC[NH+](C)C ZINC000869243595 759000898 /nfs/dbraw/zinc/00/08/98/759000898.db2.gz RYZGTOUAHGDGCH-GHXNOFRVSA-N 2 0 259.369 1.250 10 0 CDAERP Cc1cc([C@H]([NH3+])CC(=O)N(C)[C@H]2CC[NH2+]C2)cc(Cl)n1 ZINC000841847795 759009552 /nfs/dbraw/zinc/00/95/52/759009552.db2.gz KHZGPGQDUHRABK-NWDGAFQWSA-N 2 0 296.802 1.254 10 0 CDAERP CCN(C(=O)C1CC[NH+](C2CC2)CC1)[C@H]1CC[N@H+](CC)C1 ZINC000855492361 759010028 /nfs/dbraw/zinc/01/00/28/759010028.db2.gz ZVNQXZKNZRGOKJ-INIZCTEOSA-N 2 0 293.455 1.804 10 0 CDAERP CCC(F)(F)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870017129 759035887 /nfs/dbraw/zinc/03/58/87/759035887.db2.gz GMIIZEBVHCYBCX-VXGBXAGGSA-N 2 0 291.386 1.230 10 0 CDAERP COCC[C@@](C)(O)C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925614258 770048269 /nfs/dbraw/zinc/04/82/69/770048269.db2.gz XNGPJHGSAGEALP-UKTARXLSSA-N 2 0 270.417 1.140 10 0 CDAERP Cc1nccn1C[C@H](C)C[NH2+][C@@H]1CO[C@H](C)[C@H]1C ZINC000924949600 770150954 /nfs/dbraw/zinc/15/09/54/770150954.db2.gz HATZJEWOVBTRPV-HKUMRIAESA-N 2 0 251.374 1.841 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@@H]1CCCS1(=O)=O ZINC000925766757 770365753 /nfs/dbraw/zinc/36/57/53/770365753.db2.gz RYDIBBGMEJIODI-VZANTVGXSA-N 2 0 286.441 1.059 10 0 CDAERP CCc1noc([C@@H]2CC[C@@H]([NH2+][C@H](C)C3C[NH2+]C3)C2)n1 ZINC000925872623 771375254 /nfs/dbraw/zinc/37/52/54/771375254.db2.gz IINLAHLJIGITBN-CKYFFXLPSA-N 2 0 264.373 1.466 10 0 CDAERP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)[C@H]1CCCOC1 ZINC000925782662 768843406 /nfs/dbraw/zinc/84/34/06/768843406.db2.gz MLKYRVCJFXXNMU-SDDRHHMPSA-N 2 0 262.344 1.636 10 0 CDAERP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000718364107 768830719 /nfs/dbraw/zinc/83/07/19/768830719.db2.gz PIYIANRDPHCLFB-RRFJBIMHSA-N 2 0 270.417 1.380 10 0 CDAERP CC(C)CC[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923306853 768838494 /nfs/dbraw/zinc/83/84/94/768838494.db2.gz VHUJVPNURUKUJD-AWEZNQCLSA-N 2 0 252.402 1.875 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000925785759 768857346 /nfs/dbraw/zinc/85/73/46/768857346.db2.gz QSHUHFMWPAFYIH-DNNBLBMLSA-N 2 0 287.407 1.440 10 0 CDAERP C[C@@H](CNC(=O)CCC12CC(C1)C[NH2+]2)[NH+]1CCCC1 ZINC000870917933 768857485 /nfs/dbraw/zinc/85/74/85/768857485.db2.gz FBWJXWWJDRRLTA-OPFPJEHXSA-N 2 0 265.401 1.119 10 0 CDAERP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000866696968 768867243 /nfs/dbraw/zinc/86/72/43/768867243.db2.gz DZIRXCNIUJQABC-GJZGRUSLSA-N 2 0 270.417 1.380 10 0 CDAERP CCOCCOCC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925874807 768867496 /nfs/dbraw/zinc/86/74/96/768867496.db2.gz NTEGFXLWJRGNEQ-CVEARBPZSA-N 2 0 284.444 1.797 10 0 CDAERP CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)CO ZINC000390898768 768871057 /nfs/dbraw/zinc/87/10/57/768871057.db2.gz MGQASZASZJCITH-CVEARBPZSA-N 2 0 292.423 1.230 10 0 CDAERP FC1(F)CC[NH2+]C[C@@H]1CNc1ncnc2[nH]ccc21 ZINC000717088825 768874494 /nfs/dbraw/zinc/87/44/94/768874494.db2.gz ZVKSTEAQUHMIHX-MRVPVSSYSA-N 2 0 267.283 1.615 10 0 CDAERP CC/C(C)=C\C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000855345695 768880479 /nfs/dbraw/zinc/88/04/79/768880479.db2.gz GLKPGPZWCSJBLB-FZDNWWAKSA-N 2 0 269.433 1.731 10 0 CDAERP CC(C)[NH+]1CCC(CCNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC1 ZINC000872309869 768920434 /nfs/dbraw/zinc/92/04/34/768920434.db2.gz HSGCXDSYUDEBEN-VYDXJSESSA-N 2 0 293.455 1.741 10 0 CDAERP Cc1cccnc1NC(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923491877 769071588 /nfs/dbraw/zinc/07/15/88/769071588.db2.gz UUHCRDCHGPDKTJ-CHWSQXEVSA-N 2 0 276.384 1.245 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000713010484 769072684 /nfs/dbraw/zinc/07/26/84/769072684.db2.gz UVLLOSPPLYYZKY-AWEZNQCLSA-N 2 0 283.460 1.796 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C)[C@H]([NH3+])[C@@H]1C ZINC000927768562 769081122 /nfs/dbraw/zinc/08/11/22/769081122.db2.gz BBNDVOYDASPZNC-FQUUOJAGSA-N 2 0 267.417 1.443 10 0 CDAERP C[NH+](C)CCc1ccc(C(=O)N[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000847447356 769137483 /nfs/dbraw/zinc/13/74/83/769137483.db2.gz AXLGTTRFDFLIJL-MRXNPFEDSA-N 2 0 289.423 1.615 10 0 CDAERP CC(C)[C@H]1CN(C(=O)CCC23CC(C2)C[NH2+]3)CC[N@@H+]1C ZINC000870982487 769154876 /nfs/dbraw/zinc/15/48/76/769154876.db2.gz ILGPTLLQKFIYMP-NPCAHTBFSA-N 2 0 279.428 1.317 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000852865538 769234173 /nfs/dbraw/zinc/23/41/73/769234173.db2.gz GVXJSZQUCXPPJB-HNNXBMFYSA-N 2 0 277.412 1.383 10 0 CDAERP CCc1noc([C@@H]2CC[C@H]([NH2+][C@@H]3CCCN[C@H]3C)C2)n1 ZINC000925874073 769267589 /nfs/dbraw/zinc/26/75/89/769267589.db2.gz USDDKHWTQNBZDZ-QNWHQSFQSA-N 2 0 278.400 1.998 10 0 CDAERP CC(C)[C@H](CNC(=[NH2+])N1CCO[C@H](C)C1)[NH+]1CCCC1 ZINC000848984200 769363599 /nfs/dbraw/zinc/36/35/99/769363599.db2.gz YJJXQMGHRKCXQO-KGLIPLIRSA-N 2 0 282.432 1.352 10 0 CDAERP Cc1cc(N2CCC[C@@H]([NH+]3CCCC3)C2)nc(N)[nH+]1 ZINC000382500271 769541187 /nfs/dbraw/zinc/54/11/87/769541187.db2.gz RMTHQQJPWJPNIE-GFCCVEGCSA-N 2 0 261.373 1.262 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)C1 ZINC000870852740 769603341 /nfs/dbraw/zinc/60/33/41/769603341.db2.gz MJXZRJDKJQPIAI-KBUPBQIOSA-N 2 0 279.428 1.495 10 0 CDAERP C[C@@H]1CNC[C@@H]([NH2+]C2CCC(C)([NH+](C)C)CC2)C1 ZINC000715572685 769775651 /nfs/dbraw/zinc/77/56/51/769775651.db2.gz MEPIHZQIDYDRAB-LQULJDIASA-N 2 0 253.434 1.837 10 0 CDAERP C1CC1[C@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)CCO1 ZINC000925639042 769781465 /nfs/dbraw/zinc/78/14/65/769781465.db2.gz JIQKAXDJOVMASA-MJBXVCDLSA-N 2 0 250.386 1.818 10 0 CDAERP Fc1cc(C[NH2+]CCCC[NH+]2CCOCC2)ccn1 ZINC000858098896 769794845 /nfs/dbraw/zinc/79/48/45/769794845.db2.gz GJGABMKEBGFOOE-UHFFFAOYSA-N 2 0 267.348 1.423 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCN2CCOCC2(C)C)C1 ZINC000925476789 769818072 /nfs/dbraw/zinc/81/80/72/769818072.db2.gz HVUXNUTZMFSGQC-ZIAGYGMSSA-N 2 0 283.460 1.593 10 0 CDAERP Cc1nc2c(cccc2CC[NH2+][C@H](C)C2C[NH2+]C2)o1 ZINC000925840714 769912286 /nfs/dbraw/zinc/91/22/86/769912286.db2.gz WKAAIPJBIHONNU-SNVBAGLBSA-N 2 0 259.353 1.876 10 0 CDAERP COC(=O)/C=C/c1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)o1 ZINC000848923109 770080343 /nfs/dbraw/zinc/08/03/43/770080343.db2.gz GGPYQZOKUBXIDS-VNTREEHLSA-N 2 0 292.379 1.896 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@@H]2CCCN3CCSC[C@@H]23)CCC1 ZINC000928088273 770195948 /nfs/dbraw/zinc/19/59/48/770195948.db2.gz YCNSUIMBSCADGZ-OLZOCXBDSA-N 2 0 297.468 1.167 10 0 CDAERP CSC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000923364749 770301224 /nfs/dbraw/zinc/30/12/24/770301224.db2.gz QRVSTUJEWVFILM-YNEHKIRRSA-N 2 0 258.431 1.174 10 0 CDAERP CN(CC[C@H]1CCCC[N@@H+]1C)C[C@@H](O)C1(O)CCCC1 ZINC000929722749 770365446 /nfs/dbraw/zinc/36/54/46/770365446.db2.gz PGWOSKJZOIDYGC-HUUCEWRRSA-N 2 0 284.444 1.459 10 0 CDAERP CCN(C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C(C)C ZINC000867589453 770395073 /nfs/dbraw/zinc/39/50/73/770395073.db2.gz HXPZDQSMVURVEC-HUUCEWRRSA-N 2 0 298.475 1.508 10 0 CDAERP Cn1cnc(CCC[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)n1 ZINC000925704074 770556995 /nfs/dbraw/zinc/55/69/95/770556995.db2.gz HNHYWPKKBJIJIH-XBFCOCLRSA-N 2 0 277.416 1.114 10 0 CDAERP COC(=O)[C@H]1CCCC[C@@H]1C[NH+]1CCC([NH+](C)C)CC1 ZINC000929263893 770614763 /nfs/dbraw/zinc/61/47/63/770614763.db2.gz OULLQDARHQFVEJ-HIFRSBDPSA-N 2 0 282.428 1.992 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925510138 770825737 /nfs/dbraw/zinc/82/57/37/770825737.db2.gz SNMFCCMDPWNMMT-LJISPDSOSA-N 2 0 265.445 1.837 10 0 CDAERP COCCOCC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925565689 770848505 /nfs/dbraw/zinc/84/85/05/770848505.db2.gz WIWAJXAMGOXLGB-LSDHHAIUSA-N 2 0 270.417 1.407 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870963529 770857298 /nfs/dbraw/zinc/85/72/98/770857298.db2.gz MVVNZEOYKYTDBQ-XQQFMLRXSA-N 2 0 253.390 1.104 10 0 CDAERP Cn1nc2c(c1C[NH2+]CC[C@H]1CCC[N@H+](C)C1)CCC2 ZINC000922181698 770863972 /nfs/dbraw/zinc/86/39/72/770863972.db2.gz XQRVHNWNNHWJPO-CYBMUJFWSA-N 2 0 276.428 1.730 10 0 CDAERP C[C@H](NC[C@H]1C[NH2+]CCC1(F)F)c1c[nH+]ccc1N ZINC000925779305 770887551 /nfs/dbraw/zinc/88/75/51/770887551.db2.gz WTBUPIBIBOTRIZ-VHSXEESVSA-N 2 0 270.327 1.390 10 0 CDAERP CC(C)[NH+]1CCC([N@H+](C)C[C@@H]2C[C@@H]3COC[C@@H]3O2)CC1 ZINC000929471702 770890081 /nfs/dbraw/zinc/89/00/81/770890081.db2.gz YAUNACRNPONIGB-KBMXLJTQSA-N 2 0 282.428 1.595 10 0 CDAERP C[C@H](C[C@@H]1COCCN1)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000925861853 771020413 /nfs/dbraw/zinc/02/04/13/771020413.db2.gz ULSHGBGBDJLXML-KZYLPZIUSA-N 2 0 295.471 1.750 10 0 CDAERP CC[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)C(=O)NC ZINC000925685215 771051576 /nfs/dbraw/zinc/05/15/76/771051576.db2.gz KXLPSURPWQWIMT-KGLIPLIRSA-N 2 0 263.385 1.581 10 0 CDAERP C[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)[C@@H]1CCOC1 ZINC000925846750 771069069 /nfs/dbraw/zinc/06/90/69/771069069.db2.gz TUYHXTYYCAZQHR-LSDHHAIUSA-N 2 0 269.433 1.077 10 0 CDAERP [NH3+][C@H]1CCCCC[C@@H]1NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925842204 771077692 /nfs/dbraw/zinc/07/76/92/771077692.db2.gz YJCDAHDCIRXDAV-BYNSBNAKSA-N 2 0 251.418 1.768 10 0 CDAERP CC(C)[C@H]1COCC[C@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000924662429 771078576 /nfs/dbraw/zinc/07/85/76/771078576.db2.gz RACRVGLUBNNNQZ-IAGOWNOFSA-N 2 0 297.487 1.665 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CNCC2(CCOCC2)C1 ZINC000925798197 771133351 /nfs/dbraw/zinc/13/33/51/771133351.db2.gz PHTMVEXCPFLBCE-WJTFHPDPSA-N 2 0 293.455 1.251 10 0 CDAERP O[C@H](C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)c1ccccc1 ZINC000714994166 771175740 /nfs/dbraw/zinc/17/57/40/771175740.db2.gz GQVMZSLEZXFSAV-BZUAXINKSA-N 2 0 260.381 1.794 10 0 CDAERP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000870894966 771231840 /nfs/dbraw/zinc/23/18/40/771231840.db2.gz PBCORMWDEDEKNO-FQLMCAECSA-N 2 0 279.428 1.304 10 0 CDAERP COc1ccc([C@H](C[NH3+])C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923494985 771245064 /nfs/dbraw/zinc/24/50/64/771245064.db2.gz RIRLZRBMDWYBGD-FVQBIDKESA-N 3 0 291.439 1.654 10 0 CDAERP C(CC[NH2+][C@H]1CCCSC1)CCN1CC[NH2+]CC1 ZINC000925846215 771273133 /nfs/dbraw/zinc/27/31/33/771273133.db2.gz SQRUATQHSHLIBX-AWEZNQCLSA-N 2 0 271.474 1.547 10 0 CDAERP C[C@@H]1CCN[C@H](c2nc(Cc3cncn3C)no2)C1 ZINC000822891544 771333897 /nfs/dbraw/zinc/33/38/97/771333897.db2.gz MTWJFBARBZUCBO-KOLCDFICSA-N 2 0 261.329 1.455 10 0 CDAERP CC1(C2CC2)CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000810064662 771337739 /nfs/dbraw/zinc/33/77/39/771337739.db2.gz PEKQYOFZHRUAKE-OAHLLOKOSA-N 2 0 266.429 1.955 10 0 CDAERP CC[C@@H]([NH2+]C)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000870989304 771339217 /nfs/dbraw/zinc/33/92/17/771339217.db2.gz HHXYFKXHGWUKSA-BXUZGUMPSA-N 2 0 255.406 1.208 10 0 CDAERP [NH3+]CCCCCCC(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000843514207 771350514 /nfs/dbraw/zinc/35/05/14/771350514.db2.gz UTBWQKVFVOZEJX-ZDUSSCGKSA-N 2 0 267.417 1.687 10 0 CDAERP C[C@H]1C[C@H](C[N@@H+]2CCc3cc(Cl)nnc3C2)CC[NH2+]1 ZINC000843130109 771368008 /nfs/dbraw/zinc/36/80/08/771368008.db2.gz XHOZBGWDMAMADY-WDEREUQCSA-N 2 0 280.803 1.876 10 0 CDAERP COC(=O)[C@H](C)C[N@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923368783 771476105 /nfs/dbraw/zinc/47/61/05/771476105.db2.gz BTNGKTJSNJBJHA-RLAWYHOSSA-N 2 0 268.401 1.648 10 0 CDAERP Cc1noc(CCC[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)n1 ZINC000923451530 771487368 /nfs/dbraw/zinc/48/73/68/771487368.db2.gz MDAAZRGTSPVWLB-ZDUSSCGKSA-N 2 0 294.399 1.140 10 0 CDAERP CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723905047 771512924 /nfs/dbraw/zinc/51/29/24/771512924.db2.gz ACADZBMCMRGXII-JHJVBQTASA-N 2 0 255.406 1.160 10 0 CDAERP c1cc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)sn1 ZINC000709983567 771529019 /nfs/dbraw/zinc/52/90/19/771529019.db2.gz JFRDJIJUHPLLJA-IJLUTSLNSA-N 2 0 251.399 1.663 10 0 CDAERP CC(C)[C@H](CNC(=[NH2+])NC1CC1)[NH+]1CCCCCC1 ZINC000066242737 771535049 /nfs/dbraw/zinc/53/50/49/771535049.db2.gz AEHOXQAPDULIGW-AWEZNQCLSA-N 2 0 266.433 1.954 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)C[C@H]([NH3+])C1CC1 ZINC000854013713 771545092 /nfs/dbraw/zinc/54/50/92/771545092.db2.gz DBMPHOKUGUPGLX-LBPRGKRZSA-N 2 0 255.406 1.350 10 0 CDAERP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)[C@@H](O)c1ccccc1 ZINC000925668438 771586681 /nfs/dbraw/zinc/58/66/81/771586681.db2.gz HFBVVFXDNBNENQ-SPWCGHHHSA-N 2 0 260.381 1.968 10 0 CDAERP COCC[C@H](C)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923449141 771595419 /nfs/dbraw/zinc/59/54/19/771595419.db2.gz KIRVYBMZXPISTP-QWHCGFSZSA-N 2 0 256.390 1.241 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000925862011 771621294 /nfs/dbraw/zinc/62/12/94/771621294.db2.gz VSALVBAVINYHPH-HWOWSKLDSA-N 3 0 283.460 1.737 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C=C2CC[NH2+]CC2)C1 ZINC000852862800 771700452 /nfs/dbraw/zinc/70/04/52/771700452.db2.gz GXTVWRBAHRZBEB-HNNXBMFYSA-N 2 0 279.428 1.533 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@H]1CSC1(C)C ZINC000848992842 771804688 /nfs/dbraw/zinc/80/46/88/771804688.db2.gz YBCGKRJXMDGTEF-QWRGUYRKSA-N 2 0 270.446 1.479 10 0 CDAERP C[C@H](CCc1cccnc1)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000866264301 771820477 /nfs/dbraw/zinc/82/04/77/771820477.db2.gz XWXNAMQMSAXBDE-HZPDHXFCSA-N 2 0 290.455 1.628 10 0 CDAERP CC(C)OCC[C@H](O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000923364968 771824113 /nfs/dbraw/zinc/82/41/13/771824113.db2.gz BGXFVJHUYPAVPG-GJZGRUSLSA-N 2 0 270.417 1.238 10 0 CDAERP C(c1noc(C2CCCCC2)n1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923462217 771848145 /nfs/dbraw/zinc/84/81/45/771848145.db2.gz DXEDQZOXSVSADC-UHFFFAOYSA-N 2 0 293.415 1.112 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000870994767 771868118 /nfs/dbraw/zinc/86/81/18/771868118.db2.gz UYWCKVCEHWIAAJ-BXUZGUMPSA-N 2 0 255.406 1.337 10 0 CDAERP CO[C@H]1CCCC[C@@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925663502 771878184 /nfs/dbraw/zinc/87/81/84/771878184.db2.gz UPYSNILORHOSJD-PYIXCIEVSA-N 2 0 250.386 1.530 10 0 CDAERP [NH3+]CCCCCCC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000842511529 771895590 /nfs/dbraw/zinc/89/55/90/771895590.db2.gz AMLIXCIULCCODV-UHFFFAOYSA-N 2 0 253.390 1.250 10 0 CDAERP CO[C@@H]1CCC[C@H]([NH2+]CCOCC[NH+](C)C)CC1 ZINC000718784952 771935203 /nfs/dbraw/zinc/93/52/03/771935203.db2.gz BDLYEROKKSCGIG-UONOGXRCSA-N 2 0 258.406 1.502 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)CC[N@@H+]1C ZINC000926964511 772001592 /nfs/dbraw/zinc/00/15/92/772001592.db2.gz RURYCJGBALFPNH-GRYCIOLGSA-N 2 0 281.366 1.941 10 0 CDAERP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925687131 772013822 /nfs/dbraw/zinc/01/38/22/772013822.db2.gz YZQRABCYDCTAPJ-ZIAGYGMSSA-N 3 0 251.418 1.593 10 0 CDAERP CCS(=O)(=O)CC[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714417701 772056927 /nfs/dbraw/zinc/05/69/27/772056927.db2.gz MZTLBCKTJZKNJN-UHFFFAOYSA-N 2 0 276.446 1.118 10 0 CDAERP [NH3+]C[C@@H]1Cc2ccccc2N(CCC[NH2+]C2CC2)C1 ZINC000923414333 772087595 /nfs/dbraw/zinc/08/75/95/772087595.db2.gz LDTBBXPFIZHRMJ-ZDUSSCGKSA-N 2 0 259.397 1.766 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000711079968 772116955 /nfs/dbraw/zinc/11/69/55/772116955.db2.gz WNULGHSGEGASBP-IHRRRGAJSA-N 2 0 269.433 1.596 10 0 CDAERP CCn1nc(C)c([C@@H](C)NCC2=CC[N@H+](C)CC2)n1 ZINC000925705820 772140517 /nfs/dbraw/zinc/14/05/17/772140517.db2.gz INIUVGXXFOBANJ-LLVKDONJSA-N 2 0 263.389 1.519 10 0 CDAERP CC1(C)[C@@H]([NH2+]CCC2=CC[NH2+]CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925702822 772147677 /nfs/dbraw/zinc/14/76/77/772147677.db2.gz AFBUJDKIVAZDRS-ILXRZTDVSA-N 2 0 263.429 1.662 10 0 CDAERP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)C(C)(C)CO ZINC000925022033 772176262 /nfs/dbraw/zinc/17/62/62/772176262.db2.gz DWZGAVXMSBMPCG-UONOGXRCSA-N 2 0 272.433 1.220 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CCOC2CCOCC2)CC1(C)C ZINC000922929001 772203058 /nfs/dbraw/zinc/20/30/58/772203058.db2.gz ZVXNBLCWLOKNBP-CYBMUJFWSA-N 2 0 270.417 1.644 10 0 CDAERP COc1nccnc1C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000865765401 772217505 /nfs/dbraw/zinc/21/75/05/772217505.db2.gz SWAVOJPMKSFZEX-UHFFFAOYSA-N 2 0 278.400 1.838 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCO[C@H]1CC1(F)F ZINC000925714014 772225550 /nfs/dbraw/zinc/22/55/50/772225550.db2.gz ZJYCKEHENDPTFU-UXGOBAPMSA-N 2 0 260.328 1.516 10 0 CDAERP COCCN1CCC[C@@H]1C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925475665 772256360 /nfs/dbraw/zinc/25/63/60/772256360.db2.gz GTTMEACBKYNADK-QLFBSQMISA-N 2 0 283.460 1.593 10 0 CDAERP COc1ccc(C2CC[NH+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)CC2)nc1 ZINC000923390342 772305903 /nfs/dbraw/zinc/30/59/03/772305903.db2.gz XOUWUKOEQCZUPH-RCBQFDQVSA-N 2 0 291.395 1.120 10 0 CDAERP C[C@@H](NC[C@H]1C[NH2+]CCC1(F)F)[C@H]1CCCC[NH2+]1 ZINC000925774528 772308604 /nfs/dbraw/zinc/30/86/04/772308604.db2.gz AYDPWEUKKYKZHP-IJLUTSLNSA-N 2 0 261.360 1.351 10 0 CDAERP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@H](O)CCC3(O)CCC3)C2)C1 ZINC000930577878 772314290 /nfs/dbraw/zinc/31/42/90/772314290.db2.gz QJMBBDROPLSZQC-CVEARBPZSA-N 2 0 296.455 1.460 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)Nc2cccc(F)c2)C[C@H]1CC[NH3+] ZINC000723907734 772360114 /nfs/dbraw/zinc/36/01/14/772360114.db2.gz DEOHKOYBVMJCSF-VXGBXAGGSA-N 2 0 279.359 1.681 10 0 CDAERP C[NH2+][C@H](C)Cc1noc(/C=C/[C@H]2CCC[NH2+]C2)n1 ZINC000871788410 772360901 /nfs/dbraw/zinc/36/09/01/772360901.db2.gz KJZLRWAIFKJKPK-XIJCSBCJSA-N 2 0 250.346 1.233 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)C=C1CC[NH2+]CC1 ZINC000852893071 772396989 /nfs/dbraw/zinc/39/69/89/772396989.db2.gz CQGUGOSRYPQIMK-UHFFFAOYSA-N 2 0 253.390 1.096 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)C1 ZINC000872299165 772405470 /nfs/dbraw/zinc/40/54/70/772405470.db2.gz YMPNKANOFHAFGZ-YMSVYLFOSA-N 2 0 277.412 1.104 10 0 CDAERP COC(=O)C1=CC[C@H]([NH2+][C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000863542285 772442366 /nfs/dbraw/zinc/44/23/66/772442366.db2.gz OMXRJOIJHHJFLM-WXHSDQCUSA-N 2 0 252.358 1.226 10 0 CDAERP COc1ccccc1NC(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000165316710 772473024 /nfs/dbraw/zinc/47/30/24/772473024.db2.gz NRHZKKORDKWBOW-QWHCGFSZSA-N 2 0 291.395 1.550 10 0 CDAERP C[C@@H]1CCC[C@@H]([NH2+]CCN2CCC([NH3+])CC2)[C@@H]1C ZINC000925813555 772491338 /nfs/dbraw/zinc/49/13/38/772491338.db2.gz WAEHZCXWTMAZAY-UMVBOHGHSA-N 2 0 253.434 1.824 10 0 CDAERP COc1c(C)cnc(CN2C[C@H]([NH3+])C(C)(C)C2)c1C ZINC000388095120 772560259 /nfs/dbraw/zinc/56/02/59/772560259.db2.gz OONBTDJMMAJVGC-ZDUSSCGKSA-N 2 0 263.385 1.876 10 0 CDAERP C[C@@H]1CN(C(=[NH2+])NCC[NH+]2CCCCCC2)CCO1 ZINC000848987745 772566022 /nfs/dbraw/zinc/56/60/22/772566022.db2.gz XPNFVKCCPRKVHY-CYBMUJFWSA-N 2 0 268.405 1.107 10 0 CDAERP C[C@@H](C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1)[C@H](C)[NH3+] ZINC000870991313 772568402 /nfs/dbraw/zinc/56/84/02/772568402.db2.gz DLFBLRYHNFHERF-UHIISALHSA-N 2 0 255.406 1.193 10 0 CDAERP C[C@H](CN[C@H]1CC[NH2+]C12CCCC2)C[NH+]1CCCC1 ZINC000925479832 772568901 /nfs/dbraw/zinc/56/89/01/772568901.db2.gz KOAWYGDDFOGGIF-CABCVRRESA-N 2 0 265.445 1.983 10 0 CDAERP CC(C)OC(=O)N1CCC([NH2+][C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000817911892 772579220 /nfs/dbraw/zinc/57/92/20/772579220.db2.gz MZIQDJVMDJWSEI-RYUDHWBXSA-N 2 0 271.405 1.711 10 0 CDAERP [NH3+]C[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)C[C@H]1C(F)(F)F ZINC000872150162 772581898 /nfs/dbraw/zinc/58/18/98/772581898.db2.gz YSDGTMIRHXXIMD-GMTAPVOTSA-N 2 0 265.323 1.055 10 0 CDAERP [NH3+][C@H]1C[C@@H](CNC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000868128963 772607231 /nfs/dbraw/zinc/60/72/31/772607231.db2.gz UDZCPAYTJYFOKF-PHIMTYICSA-N 2 0 286.339 1.126 10 0 CDAERP Cc1ccccc1[C@H](O)C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925480881 772621558 /nfs/dbraw/zinc/62/15/58/772621558.db2.gz HPDODIWWANTISM-ILXRZTDVSA-N 2 0 260.381 1.888 10 0 CDAERP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCCC[NH+](CC)CC ZINC000236967330 772669579 /nfs/dbraw/zinc/66/95/79/772669579.db2.gz ODOLEVYHTMOBFP-CHWSQXEVSA-N 2 0 257.422 1.598 10 0 CDAERP CC[N@H+](CCN[C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)C(C)C ZINC000261975780 772695510 /nfs/dbraw/zinc/69/55/10/772695510.db2.gz RCPSYOOQAMBCBO-OAGGEKHMSA-N 2 0 283.460 1.463 10 0 CDAERP CC[N@H+](C)C[C@@H]1CCN(C[C@H](O)c2ccc(F)cn2)C1 ZINC000799305696 772705529 /nfs/dbraw/zinc/70/55/29/772705529.db2.gz KFMNFVSBNIHKKU-WFASDCNBSA-N 2 0 281.375 1.528 10 0 CDAERP C[C@@H]1CCCC[C@@H]1OCCN1CC[NH2+]CC[NH2+]CC1 ZINC000923460133 772709252 /nfs/dbraw/zinc/70/92/52/772709252.db2.gz AIIQKTXAJKJUGZ-CABCVRRESA-N 2 0 269.433 1.077 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)[C@@H](C)C1 ZINC000926946412 772715093 /nfs/dbraw/zinc/71/50/93/772715093.db2.gz UKDQFAFITKYXHZ-QRTUWBSPSA-N 2 0 268.401 1.110 10 0 CDAERP C[NH+](C)C1(CNC(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)CCCCC1 ZINC000720955811 772715303 /nfs/dbraw/zinc/71/53/03/772715303.db2.gz WGVUDZOXRLDUCS-RDBSUJKOSA-N 2 0 279.428 1.223 10 0 CDAERP C[NH+](C)CC1CCN(C(=O)[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000711270902 772722246 /nfs/dbraw/zinc/72/22/46/772722246.db2.gz DNVQZRXXYTZHLC-ZDUSSCGKSA-N 2 0 267.417 1.032 10 0 CDAERP CCC[N@H+](CCc1ccc(C(N)=O)cc1)C1CC[NH2+]CC1 ZINC000866661818 772730284 /nfs/dbraw/zinc/73/02/84/772730284.db2.gz VLTACGCTZPIBPD-UHFFFAOYSA-N 2 0 289.423 1.792 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[C@H]([NH3+])C(C)C)C1 ZINC000713050609 772733336 /nfs/dbraw/zinc/73/33/36/772733336.db2.gz KMCMKTCLBOABLW-QWHCGFSZSA-N 2 0 269.433 1.596 10 0 CDAERP C[C@H]([NH3+])CCC(=O)NCC[NH2+]C1CCCCCC1 ZINC000193170788 772733444 /nfs/dbraw/zinc/73/34/44/772733444.db2.gz MVCOQJPUEKFHLW-LBPRGKRZSA-N 2 0 255.406 1.542 10 0 CDAERP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NCCCC[NH+](C)C ZINC000713110518 772755636 /nfs/dbraw/zinc/75/56/36/772755636.db2.gz GENQFCAZCVVWMV-GFCCVEGCSA-N 2 0 257.422 1.454 10 0 CDAERP [NH3+][C@H]1C[C@@H](C[N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000705967283 772773955 /nfs/dbraw/zinc/77/39/55/772773955.db2.gz LYSVPLXJNIPNIC-BALXVJCKSA-N 2 0 285.435 1.788 10 0 CDAERP CCOC(=O)C1=CC[C@@H]([NH2+][C@H](C)CCCC[NH3+])C1 ZINC000863544463 772778922 /nfs/dbraw/zinc/77/89/22/772778922.db2.gz UYDMPCIWFQPRKZ-DGCLKSJQSA-N 2 0 254.374 1.745 10 0 CDAERP CC[NH+](CC)[C@@H](C)CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262320802 772786787 /nfs/dbraw/zinc/78/67/87/772786787.db2.gz COGXKJGMMFAPON-AVGNSLFASA-N 2 0 255.406 1.221 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](O)Cc2ccccc2)C12CCC2 ZINC000925498398 772817974 /nfs/dbraw/zinc/81/79/74/772817974.db2.gz DWGOUTGRRYOSIB-ZNMIVQPWSA-N 2 0 260.381 1.450 10 0 CDAERP COC(OC)[C@@H](C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000922312075 772820784 /nfs/dbraw/zinc/82/07/84/772820784.db2.gz RFQQAMOQQODRKJ-CYBMUJFWSA-N 2 0 296.411 1.724 10 0 CDAERP C[C@H](CNC(=O)C[C@@H]1CCC[NH2+]C1)[NH+]1CCCCC1 ZINC000054292275 772823092 /nfs/dbraw/zinc/82/30/92/772823092.db2.gz PNFZQPQPFQHKDA-KGLIPLIRSA-N 2 0 267.417 1.367 10 0 CDAERP Cc1cnc(C)c(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC000866012950 772828002 /nfs/dbraw/zinc/82/80/02/772828002.db2.gz XEUOTPPDCHPYHO-HUUCEWRRSA-N 2 0 291.443 1.269 10 0 CDAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1CC(=O)N(CC2CC2)C1 ZINC000925770238 772837852 /nfs/dbraw/zinc/83/78/52/772837852.db2.gz ICTVKTBIAIXIPO-BMFZPTHFSA-N 2 0 293.455 1.898 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C[C@H](O)c2ccc(F)cn2)[C@H](C)C1 ZINC000799309760 772852976 /nfs/dbraw/zinc/85/29/76/772852976.db2.gz XUFNAPBZCKFFRN-KCXAZCMYSA-N 2 0 295.402 1.916 10 0 CDAERP CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261991239 772877658 /nfs/dbraw/zinc/87/76/58/772877658.db2.gz SJIDAVMEKLDGLW-MELADBBJSA-N 2 0 284.400 1.029 10 0 CDAERP CCO[C@@H]1C[C@@H]([NH2+]CCN2CCC([NH3+])CC2)C1(C)C ZINC000233784143 772895414 /nfs/dbraw/zinc/89/54/14/772895414.db2.gz CDEXHWDVSWSSRU-ZIAGYGMSSA-N 2 0 269.433 1.203 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+]CCN2CCC([NH3+])CC2)C12CCC2 ZINC000925815198 772926654 /nfs/dbraw/zinc/92/66/54/772926654.db2.gz OWHALHWQRJASES-LSDHHAIUSA-N 2 0 281.444 1.347 10 0 CDAERP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1[C@@H]3OC[C@@H]4C[C@H]1C[C@@H]43)[NH2+]2 ZINC000925725769 773008121 /nfs/dbraw/zinc/00/81/21/773008121.db2.gz NRXLIZSBIKQWKZ-SAWVWSPMSA-N 2 0 262.397 1.528 10 0 CDAERP [NH3+][C@H]1CN(CCC[NH2+]C2CC2)CC[C@H]1C(F)(F)F ZINC000923431742 773022264 /nfs/dbraw/zinc/02/22/64/773022264.db2.gz XHJSHYSPCOJNQG-MNOVXSKESA-N 2 0 265.323 1.340 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CC[NH+](C)[C@@H](C(C)(C)C)C2)C1 ZINC000880614176 773045650 /nfs/dbraw/zinc/04/56/50/773045650.db2.gz RMFIZGKAUXWEMB-QWHCGFSZSA-N 2 0 267.417 1.127 10 0 CDAERP CO[C@H](CC[NH2+][C@H]1CC[NH2+]C1(C)C)C(F)(F)F ZINC000925647169 773048195 /nfs/dbraw/zinc/04/81/95/773048195.db2.gz ZQTJEDBXIFGKOU-DTWKUNHWSA-N 2 0 254.296 1.684 10 0 CDAERP C[C@H](CN1CCOCC1)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925549393 773079416 /nfs/dbraw/zinc/07/94/16/773079416.db2.gz GVZYPVJZKQXEML-MGPQQGTHSA-N 2 0 269.433 1.203 10 0 CDAERP Cn1nc2c(c1C[NH2+]CCCC[N@H+](C)C1CC1)CCC2 ZINC000922171645 773087273 /nfs/dbraw/zinc/08/72/73/773087273.db2.gz NCUOREQCYMQYQD-UHFFFAOYSA-N 2 0 276.428 1.873 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCCN2CCOC2=O)C1 ZINC000925476392 773088574 /nfs/dbraw/zinc/08/85/74/773088574.db2.gz JNPCQKSASLWEIJ-RYUDHWBXSA-N 2 0 269.389 1.324 10 0 CDAERP CCOC(=O)C1=CC[C@H]([NH2+]C2CCN(C3CC3)CC2)C1 ZINC000858509068 773146781 /nfs/dbraw/zinc/14/67/81/773146781.db2.gz PVDKQBZPJTVUIN-AWEZNQCLSA-N 2 0 278.396 1.855 10 0 CDAERP C[C@H](CCNC(=[NH2+])N[C@H]1C[C@H]1C)[NH+]1CCCCC1 ZINC000864462626 773151092 /nfs/dbraw/zinc/15/10/92/773151092.db2.gz NXYNDQJCPKHFKN-UPJWGTAASA-N 2 0 252.406 1.773 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H](C)C[C@H](O)c1ccc(F)cc1 ZINC000817905552 773151732 /nfs/dbraw/zinc/15/17/32/773151732.db2.gz OIKYIWHLOTXZCR-KCXAZCMYSA-N 2 0 298.402 1.981 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)C1CCC([NH3+])CC1)[C@H](C)[NH3+] ZINC000818528722 773151824 /nfs/dbraw/zinc/15/18/24/773151824.db2.gz HTXOJNPVPKSGQA-YWPUVAFDSA-N 2 0 255.406 1.334 10 0 CDAERP C[C@@H]1[C@H](C(=O)NC2CCC(C)([NH+](C)C)CC2)CC[N@@H+]1C ZINC000871362358 773158311 /nfs/dbraw/zinc/15/83/11/773158311.db2.gz TXSRWPODKUMLCY-ILTLLKDXSA-N 2 0 281.444 1.706 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH+](C)C)C23CCC3)CC[N@@H+]1C ZINC000864069670 773181712 /nfs/dbraw/zinc/18/17/12/773181712.db2.gz GBHVHWPFDQIUDX-LJISPDSOSA-N 2 0 293.455 1.706 10 0 CDAERP C[C@@H]([NH2+]C[C@H]1CN(C2CC2)C(=O)O1)C1CC[NH+](C)CC1 ZINC000848571798 773184036 /nfs/dbraw/zinc/18/40/36/773184036.db2.gz UGMYGZOIBRTRTD-RISCZKNCSA-N 2 0 281.400 1.290 10 0 CDAERP C[NH+]1C[C@]2(C)CN(C(=O)[C@@H]3CC[N@@H+]3C(C)(C)C)C[C@@]2(C)C1 ZINC000864077743 773229202 /nfs/dbraw/zinc/22/92/02/773229202.db2.gz QLDAYCQWSJWRKI-IAOVAPTHSA-N 2 0 293.455 1.659 10 0 CDAERP C[C@](CN)([NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000923295558 773241228 /nfs/dbraw/zinc/24/12/28/773241228.db2.gz CMFGPTWFYISWLS-CHEQUFIKSA-N 2 0 251.418 1.624 10 0 CDAERP CCC[C@H]1CN(Cc2[nH]c(C)nc2C)CC[N@@H+]1CCOC ZINC000930146726 773329598 /nfs/dbraw/zinc/32/95/98/773329598.db2.gz WOHHCUOCROIYBY-HNNXBMFYSA-N 2 0 294.443 1.959 10 0 CDAERP C[C@H](O)[C@@H](O)C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000865739033 773332709 /nfs/dbraw/zinc/33/27/09/773332709.db2.gz MPZRSMNGJOVCBK-HOCLYGCPSA-N 2 0 294.439 1.476 10 0 CDAERP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925845171 773347002 /nfs/dbraw/zinc/34/70/02/773347002.db2.gz XKAHDMDJAVDENT-ARLBYUKCSA-N 2 0 263.429 1.591 10 0 CDAERP C[C@H](CCCO)[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925547201 773401430 /nfs/dbraw/zinc/40/14/30/773401430.db2.gz ADQYIFOWPDEFQF-SNPRPXQTSA-N 2 0 254.418 1.905 10 0 CDAERP C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923502354 773420134 /nfs/dbraw/zinc/42/01/34/773420134.db2.gz BIAGYAQUAGEHTP-GBJTYRQASA-N 2 0 281.444 1.598 10 0 CDAERP C[NH+](C)CCCC1CC[NH+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)CC1 ZINC000930146897 773455853 /nfs/dbraw/zinc/45/58/53/773455853.db2.gz MHSCUYXYIAOHHT-IKGGRYGDSA-N 2 0 296.455 1.844 10 0 CDAERP FC1(F)CC[NH2+]C[C@H]1C[NH2+][C@H]1CCC12CCOCC2 ZINC000925777478 773711195 /nfs/dbraw/zinc/71/11/95/773711195.db2.gz PEGVJZYXPCBCJG-RYUDHWBXSA-N 2 0 274.355 1.780 10 0 CDAERP C[C@H](C[NH2+]CC[C@H](C)F)NC(=O)CC[NH+]1CCCCC1 ZINC001275038105 1166655181 /nfs/dbraw/zinc/65/51/81/1166655181.db2.gz FGCDKSSHOBQWBE-UONOGXRCSA-N 2 0 287.423 1.705 10 0 CDAERP COCCC[NH+]1CCC(N(C)C(=O)C[N@H+](C)C(C)C)CC1 ZINC001566614677 1168355485 /nfs/dbraw/zinc/35/54/85/1168355485.db2.gz CWALFHOGVUUWIU-UHFFFAOYSA-N 2 0 299.459 1.286 10 0 CDAERP CC(C)CCC[NH2+][C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001566809439 1168430871 /nfs/dbraw/zinc/43/08/71/1168430871.db2.gz OWSMOTGEFWBCIU-SHTZXODSSA-N 2 0 293.455 1.755 10 0 CDAERP CC(C)=CC[N@H+](C)CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001480874442 894913240 /nfs/dbraw/zinc/91/32/40/894913240.db2.gz DPVKHGCLDWHETE-OAHLLOKOSA-N 2 0 281.444 1.875 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266632694 895634678 /nfs/dbraw/zinc/63/46/78/895634678.db2.gz NTIMDNULIYTOCX-RBSFLKMASA-N 2 0 281.444 1.776 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCCOC)C1 ZINC001266688600 895831434 /nfs/dbraw/zinc/83/14/34/895831434.db2.gz PDXHNPNPAYKSQE-ZNMIVQPWSA-N 2 0 297.443 1.134 10 0 CDAERP C[C@H](F)CC[NH2+]CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001266827075 896137465 /nfs/dbraw/zinc/13/74/65/896137465.db2.gz HYQGYXHSGFPPDH-LBPRGKRZSA-N 2 0 273.396 1.124 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001266876280 896264946 /nfs/dbraw/zinc/26/49/46/896264946.db2.gz JZIUVJCIXQDADK-ZDUSSCGKSA-N 2 0 255.406 1.317 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001267046955 896629434 /nfs/dbraw/zinc/62/94/34/896629434.db2.gz IKGIDLBDPCAMGX-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001267131338 896884446 /nfs/dbraw/zinc/88/44/46/896884446.db2.gz DZWQGWFDHMOXBX-CQSZACIVSA-N 2 0 281.444 1.921 10 0 CDAERP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693680111 897163271 /nfs/dbraw/zinc/16/32/71/897163271.db2.gz RMDNQQUKXUAYSU-PDWCTOEPSA-N 2 0 254.418 1.760 10 0 CDAERP CN(CC[NH2+]C[C@H]1CCCCO1)C(=O)C[N@H+](C)C1CCC1 ZINC001267383830 897823934 /nfs/dbraw/zinc/82/39/34/897823934.db2.gz AGFBOTMQUJXRIM-OAHLLOKOSA-N 2 0 297.443 1.088 10 0 CDAERP CC[NH2+]CCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001567589279 1168875399 /nfs/dbraw/zinc/87/53/99/1168875399.db2.gz GKVNAWZXOPLWAW-STQMWFEESA-N 2 0 255.406 1.175 10 0 CDAERP CC(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001481069966 898729610 /nfs/dbraw/zinc/72/96/10/898729610.db2.gz DNWBFBKUNPHIMB-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[NH2+]CCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001481241924 899589775 /nfs/dbraw/zinc/58/97/75/899589775.db2.gz ASCOBLWNXUSDTP-ZDUSSCGKSA-N 2 0 255.406 1.319 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@](C)(C[NH2+]CCF)C1CC1 ZINC001267853773 899877005 /nfs/dbraw/zinc/87/70/05/899877005.db2.gz RCYXBDVBMBSWPN-GDBMZVCRSA-N 2 0 299.434 1.703 10 0 CDAERP CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001267940247 900010902 /nfs/dbraw/zinc/01/09/02/900010902.db2.gz HDMGNMVYKYLYLA-MRXNPFEDSA-N 2 0 289.423 1.754 10 0 CDAERP CC(C)C[NH2+]CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001481295198 900222726 /nfs/dbraw/zinc/22/27/26/900222726.db2.gz OQVYNLFCGAERPL-UHFFFAOYSA-N 2 0 269.433 1.422 10 0 CDAERP C[C@H](C[NH2+]CCc1ccccc1)N(C)C(=O)CC[NH+](C)C ZINC001268085770 901158094 /nfs/dbraw/zinc/15/80/94/901158094.db2.gz ULXNAJQHOFODLP-OAHLLOKOSA-N 2 0 291.439 1.617 10 0 CDAERP CC(C)=CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001268227327 901605894 /nfs/dbraw/zinc/60/58/94/901605894.db2.gz SNGHIWLAGSAUQU-LSDHHAIUSA-N 2 0 281.444 1.635 10 0 CDAERP CCCC[NH+]1CC(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001481660742 901748918 /nfs/dbraw/zinc/74/89/18/901748918.db2.gz NCGOYJQAIFBDCK-ZIAGYGMSSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H](CC[NH2+]Cc1ccon1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268391947 901982621 /nfs/dbraw/zinc/98/26/21/901982621.db2.gz FGGSFHODVGVTOZ-JSGCOSHPSA-N 2 0 294.399 1.143 10 0 CDAERP CCN(CC[NH2+]CCOC(C)C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268451319 902086774 /nfs/dbraw/zinc/08/67/74/902086774.db2.gz INNJMVFBBLIERU-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CC1CCC1 ZINC001481812701 902166120 /nfs/dbraw/zinc/16/61/20/902166120.db2.gz RUDMLXUBAJJDMK-HOTGVXAUSA-N 2 0 293.455 1.613 10 0 CDAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccsc1 ZINC001481875312 902249106 /nfs/dbraw/zinc/24/91/06/902249106.db2.gz NCGMNAUFBXBANM-KBPBESRZSA-N 2 0 295.452 1.684 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCCF ZINC001482054228 902561877 /nfs/dbraw/zinc/56/18/77/902561877.db2.gz IBEHNWYBNJILOW-CHWSQXEVSA-N 2 0 271.380 1.021 10 0 CDAERP CN(CCC[NH2+]C[C@@H]1CCCCO1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001498525720 902719781 /nfs/dbraw/zinc/71/97/81/902719781.db2.gz DHBVEOIKNUCJFG-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@@H](C[NH2+]CC1CCC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001268711829 902996397 /nfs/dbraw/zinc/99/63/97/902996397.db2.gz WRNASIMVFWCLOY-GXTWGEPZSA-N 2 0 267.417 1.223 10 0 CDAERP Cc1cc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCC[N@@H+]2C)on1 ZINC001268782885 903124978 /nfs/dbraw/zinc/12/49/78/903124978.db2.gz GGLJSJGGQRMEGM-AWEZNQCLSA-N 2 0 294.399 1.015 10 0 CDAERP CCC[NH2+]CCCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001268813223 903149394 /nfs/dbraw/zinc/14/93/94/903149394.db2.gz QSGVENOBVDZJSS-UHFFFAOYSA-N 2 0 269.433 1.709 10 0 CDAERP CC(C)[NH2+]CCCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001268961456 903281168 /nfs/dbraw/zinc/28/11/68/903281168.db2.gz ALFSQQHGTMEUQN-OAHLLOKOSA-N 2 0 283.460 1.953 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H](CC[NH2+]CC3CC3)C2)C1 ZINC001269800149 904120030 /nfs/dbraw/zinc/12/00/30/904120030.db2.gz YYURNACWTSGJCN-CVEARBPZSA-N 2 0 293.455 1.566 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001270437086 904636209 /nfs/dbraw/zinc/63/62/09/904636209.db2.gz VWHUUULYSNFTCQ-CABCVRRESA-N 2 0 281.444 1.779 10 0 CDAERP CC(C)[NH2+]C[C@@H](C)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001482296478 904722191 /nfs/dbraw/zinc/72/21/91/904722191.db2.gz JZUOXLLPLBIVSI-ZIAGYGMSSA-N 2 0 269.433 1.706 10 0 CDAERP CC(C)[NH2+]C[C@@H](C)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001482296476 904722861 /nfs/dbraw/zinc/72/28/61/904722861.db2.gz JZUOXLLPLBIVSI-KGLIPLIRSA-N 2 0 269.433 1.706 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001364024306 905135900 /nfs/dbraw/zinc/13/59/00/905135900.db2.gz JCTXZFHOMSJJDT-SOUVJXGZSA-N 2 0 281.444 1.707 10 0 CDAERP CCOCCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001482435425 905403094 /nfs/dbraw/zinc/40/30/94/905403094.db2.gz QFQWDIOSXAXTOR-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+](C)C ZINC001271092791 905637916 /nfs/dbraw/zinc/63/79/16/905637916.db2.gz LOTNRRKFZNWCTM-CHWSQXEVSA-N 2 0 257.422 1.421 10 0 CDAERP CCCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001482690771 908290045 /nfs/dbraw/zinc/29/00/45/908290045.db2.gz BTTXOWFBZVJQHS-HUUCEWRRSA-N 2 0 293.455 1.757 10 0 CDAERP C[C@H](CC[NH2+]C[C@@H]1CCCCO1)NC(=O)Cc1c[nH]cn1 ZINC001482874490 908452350 /nfs/dbraw/zinc/45/23/50/908452350.db2.gz YFGANFJRNNXSGP-OCCSQVGLSA-N 2 0 294.399 1.006 10 0 CDAERP CCN(CC[NH2+]CCF)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001482931809 908490872 /nfs/dbraw/zinc/49/08/72/908490872.db2.gz SBVVOOTVAOCPFX-OAHLLOKOSA-N 2 0 299.434 1.801 10 0 CDAERP CCC[NH2+]CCN(CC)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001482925254 908495058 /nfs/dbraw/zinc/49/50/58/908495058.db2.gz OXSACVKODIAWEB-AWEZNQCLSA-N 2 0 267.417 1.176 10 0 CDAERP CC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001482930043 908498377 /nfs/dbraw/zinc/49/83/77/908498377.db2.gz BTLITMJHFKLTKQ-HNNXBMFYSA-N 2 0 281.444 1.851 10 0 CDAERP C[C@H](CNC1=[NH+]CCCCN1)C[NH+]1CCCCC1 ZINC000697725993 909213441 /nfs/dbraw/zinc/21/34/41/909213441.db2.gz YNFBAHGGGVWNCC-CYBMUJFWSA-N 2 0 252.406 1.437 10 0 CDAERP CCC[NH2+]C/C=C/CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001483088651 909310024 /nfs/dbraw/zinc/31/00/24/909310024.db2.gz XENONAIEDFVOEA-SBDDDAINSA-N 2 0 255.406 1.245 10 0 CDAERP CC(C)[NH2+]C[C@@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001483136861 909782046 /nfs/dbraw/zinc/78/20/46/909782046.db2.gz FXAWFBHJGMBVOF-OLZOCXBDSA-N 2 0 255.406 1.364 10 0 CDAERP CCCC[NH2+]CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001273019532 921571373 /nfs/dbraw/zinc/57/13/73/921571373.db2.gz XEKUETISFYGNIT-UONOGXRCSA-N 2 0 269.433 1.613 10 0 CDAERP COC(CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)OC ZINC000686609523 911264318 /nfs/dbraw/zinc/26/43/18/911264318.db2.gz NVRGRDJQJRBTBQ-OLZOCXBDSA-N 2 0 256.390 1.412 10 0 CDAERP CCCCC[NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001483600634 911304799 /nfs/dbraw/zinc/30/47/99/911304799.db2.gz IZQHAPXGSLJXRF-HNNXBMFYSA-N 2 0 293.455 1.757 10 0 CDAERP CC(C)[NH2+]C1(CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001483794442 915074020 /nfs/dbraw/zinc/07/40/20/915074020.db2.gz HLEUVDYBKIFOEW-UHFFFAOYSA-N 2 0 267.417 1.509 10 0 CDAERP CC[N@H+](CCOC)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001483820105 915088221 /nfs/dbraw/zinc/08/82/21/915088221.db2.gz QNMLKHGZQNJLIM-UHFFFAOYSA-N 2 0 297.443 1.042 10 0 CDAERP CCC[NH+]1CCC2(CCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001483836689 915114464 /nfs/dbraw/zinc/11/44/64/915114464.db2.gz INMBERYBVAPVCI-UHFFFAOYSA-N 2 0 281.444 1.663 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001484070953 915384852 /nfs/dbraw/zinc/38/48/52/915384852.db2.gz KAKJLKWUEFFCGF-HOCLYGCPSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC1CC1 ZINC001484467751 915795260 /nfs/dbraw/zinc/79/52/60/915795260.db2.gz OUYZXCUVIJGFJB-HZPDHXFCSA-N 2 0 293.455 1.802 10 0 CDAERP CC[C@H](F)C[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001493806457 915811877 /nfs/dbraw/zinc/81/18/77/915811877.db2.gz JIMBHWJNPNREJO-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CCC[NH2+]CC[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001484523023 915851441 /nfs/dbraw/zinc/85/14/41/915851441.db2.gz OKYVUJIZZIKUPH-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP Cc1nc(C)c(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[NH+](C)C)o1 ZINC001485188672 916646570 /nfs/dbraw/zinc/64/65/70/916646570.db2.gz IRAXTDKHYCJOPX-WDEREUQCSA-N 2 0 296.415 1.226 10 0 CDAERP Cc1nc(C)c(C[NH2+][C@H](C)[C@@H](C)NC(=O)CC[NH+](C)C)o1 ZINC001485188668 916648768 /nfs/dbraw/zinc/64/87/68/916648768.db2.gz IRAXTDKHYCJOPX-GHMZBOCLSA-N 2 0 296.415 1.226 10 0 CDAERP CCCC[C@H](C[NH2+]CC)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001485462769 916997761 /nfs/dbraw/zinc/99/77/61/916997761.db2.gz HMZFPNXQDQMICY-HUUCEWRRSA-N 2 0 281.444 1.613 10 0 CDAERP CC[N@@H+]1C[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001485577312 917106116 /nfs/dbraw/zinc/10/61/16/917106116.db2.gz MILBSJPZYDJMFQ-LBPRGKRZSA-N 2 0 255.406 1.175 10 0 CDAERP C[NH+]1CCC(C[NH2+]C[C@@H]2CCN2C(C)(C)C)CC1 ZINC000690288581 918291739 /nfs/dbraw/zinc/29/17/39/918291739.db2.gz GSMOURXSOQFOMT-AWEZNQCLSA-N 3 0 253.434 1.791 10 0 CDAERP CC(C)=CC[NH2+]C1(CNC(=O)CC[NH+](C)C)CCCC1 ZINC001568241402 1169194290 /nfs/dbraw/zinc/19/42/90/1169194290.db2.gz PAJBRVPGUASDFM-UHFFFAOYSA-N 2 0 281.444 1.923 10 0 CDAERP CC(C)=CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001272863763 919923401 /nfs/dbraw/zinc/92/34/01/919923401.db2.gz BGCQRNWRYGFCQY-CABCVRRESA-N 2 0 281.444 1.921 10 0 CDAERP CCC[NH2+]C[C@H](C)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001568279772 1169220452 /nfs/dbraw/zinc/22/04/52/1169220452.db2.gz SDRSVPKQZUVCRG-KBPBESRZSA-N 2 0 269.433 1.707 10 0 CDAERP CC[NH+](CC)CCCNC(=O)c1ccc(C[NH+](C)C)nc1 ZINC001463585809 936657353 /nfs/dbraw/zinc/65/73/53/936657353.db2.gz ZJVAOFPFKZKQGN-UHFFFAOYSA-N 2 0 292.427 1.605 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C[NH2+]C/C=C\Cl)C1 ZINC001486210276 920821369 /nfs/dbraw/zinc/82/13/69/920821369.db2.gz JLZOJGPGPSUPCS-KRAPLUKQSA-N 2 0 287.835 1.565 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH+](C)C(C)C ZINC001486359525 920924837 /nfs/dbraw/zinc/92/48/37/920924837.db2.gz YHOVICOASUZYHW-GJZGRUSLSA-N 2 0 299.459 1.020 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1C[C@@H]([NH2+]CC(C)C)C1 ZINC001491022629 936843300 /nfs/dbraw/zinc/84/33/00/936843300.db2.gz CFVLGEPJGBDPRT-HZSPNIEDSA-N 2 0 287.423 1.559 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCCF)C1)[NH+](C)C ZINC001491073923 936852198 /nfs/dbraw/zinc/85/21/98/936852198.db2.gz YVHUDDJDXMHDOR-FRRDWIJNSA-N 2 0 273.396 1.169 10 0 CDAERP CCC(C)(C)NC(=O)C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923451481 923843825 /nfs/dbraw/zinc/84/38/25/923843825.db2.gz BKDLQHFTBKAWHS-ZDUSSCGKSA-N 2 0 297.443 1.121 10 0 CDAERP CCOCC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001568369139 1169264793 /nfs/dbraw/zinc/26/47/93/1169264793.db2.gz IOMNPMOVWGVZHV-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]C(C)C ZINC001491503034 936926250 /nfs/dbraw/zinc/92/62/50/936926250.db2.gz DQBLRTGXNSQPKO-KBPBESRZSA-N 2 0 269.433 1.610 10 0 CDAERP CC[NH2+]CC[C@@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001273205010 924923596 /nfs/dbraw/zinc/92/35/96/924923596.db2.gz RBWUDRYJVFSEHT-CYBMUJFWSA-N 2 0 277.412 1.866 10 0 CDAERP CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]C/C=C\Cl)[NH+](C)C ZINC001410395718 925597446 /nfs/dbraw/zinc/59/74/46/925597446.db2.gz PCIGMCVECAYQLE-PKJDGDQJSA-N 2 0 275.824 1.516 10 0 CDAERP CCC[NH2+][C@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001410509814 925850084 /nfs/dbraw/zinc/85/00/84/925850084.db2.gz MMSIOKDLIRKLIP-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2C[C@H]([NH2+]CCCF)C2)C1 ZINC001488872743 926746477 /nfs/dbraw/zinc/74/64/77/926746477.db2.gz NHMKNVCHWIINOV-IHRRRGAJSA-N 2 0 285.407 1.172 10 0 CDAERP CC[C@H](F)C[NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001491548838 937106776 /nfs/dbraw/zinc/10/67/76/937106776.db2.gz PTUHCAUQMHGDOD-STQMWFEESA-N 2 0 287.423 1.703 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1[C@@H]2CCC[NH+](CC)[C@@H]2C1(C)C ZINC001489088199 926805175 /nfs/dbraw/zinc/80/51/75/926805175.db2.gz UWZZSZIHMAELDM-IMJJTQAJSA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)[C@@H](C)Cc2c[nH]cn2)CC[N@@H+]1CC ZINC001489135266 926806841 /nfs/dbraw/zinc/80/68/41/926806841.db2.gz SFDSXCCSADNQNU-FPMFFAJLSA-N 2 0 278.400 1.577 10 0 CDAERP CC(C)[C@@H](C(=O)NCCC[N@H+](C)CC1CC1)[NH+](C)C ZINC001490209037 927008340 /nfs/dbraw/zinc/00/83/40/927008340.db2.gz DYKQCFZQADVHIX-AWEZNQCLSA-N 2 0 269.433 1.421 10 0 CDAERP CCCC[NH2+]C/C=C/CNC(=O)C12CC[NH+](CC1)C2 ZINC001274507034 931504592 /nfs/dbraw/zinc/50/45/92/931504592.db2.gz CHKVYJRUSNNIPX-SNAWJCMRSA-N 2 0 265.401 1.144 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)CC[NH+](C)C)C1 ZINC001144220883 931708339 /nfs/dbraw/zinc/70/83/39/931708339.db2.gz SWGGRIQYOISGSY-ZIAGYGMSSA-N 2 0 269.433 1.563 10 0 CDAERP COCCC[NH2+][C@@H](C)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001275432789 931790481 /nfs/dbraw/zinc/79/04/81/931790481.db2.gz FRWCXBHBOUQMKG-KBPBESRZSA-N 2 0 297.443 1.134 10 0 CDAERP CCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001275844314 932088644 /nfs/dbraw/zinc/08/86/44/932088644.db2.gz LTVVZSNEODPPNQ-KGLIPLIRSA-N 2 0 269.433 1.707 10 0 CDAERP C[C@H](CNC(=O)CC[N@@H+]1CC[C@H](F)C1)C[NH+]1CCCC1 ZINC001412439407 932430672 /nfs/dbraw/zinc/43/06/72/932430672.db2.gz CHZWMCZOSXOETL-KGLIPLIRSA-N 2 0 285.407 1.268 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001412528770 932468825 /nfs/dbraw/zinc/46/88/25/932468825.db2.gz QPBNZUPUCFRQAW-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP [NH3+]CCC1CCN(C(=O)[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC001118272815 937611178 /nfs/dbraw/zinc/61/11/78/937611178.db2.gz JQLLQGFYQGYCCF-CHWSQXEVSA-N 2 0 253.390 1.091 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CC[NH+]1CC[C@@H](F)C1 ZINC001412666653 932609205 /nfs/dbraw/zinc/60/92/05/932609205.db2.gz XHZFZLDUJIFADK-YRGRVCCFSA-N 2 0 283.391 1.019 10 0 CDAERP CC[N@@H+]1CC[C@@H]1C(=O)N(C)CC[C@@H]1CCCC[NH+]1C ZINC001148164159 932659573 /nfs/dbraw/zinc/65/95/73/932659573.db2.gz FGAVFWHQKQNRIY-UONOGXRCSA-N 2 0 267.417 1.413 10 0 CDAERP CC[N@H+](CCN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1)C1CC1 ZINC000925556884 932904285 /nfs/dbraw/zinc/90/42/85/932904285.db2.gz LQXNMSJAVIVYIY-QWHCGFSZSA-N 2 0 253.434 1.966 10 0 CDAERP C[N@H+](CCCC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)C1CC1 ZINC000925686039 932927396 /nfs/dbraw/zinc/92/73/96/932927396.db2.gz QQXGCNYZTFOKFG-KGLIPLIRSA-N 3 0 251.418 1.720 10 0 CDAERP C[N@@H+]1C[C@@H]2C[NH+](C[C@H]3C[C@@]34CCOC4)C[C@]2(C)C1 ZINC000933734835 933851516 /nfs/dbraw/zinc/85/15/16/933851516.db2.gz RWQTYOCITRDCJW-APIJFGDWSA-N 2 0 250.386 1.297 10 0 CDAERP C[C@@H](CS(C)(=O)=O)[N@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000688588889 934658453 /nfs/dbraw/zinc/65/84/53/934658453.db2.gz WZDBCYXKOWXJKW-FUDCBSFHSA-N 2 0 288.457 1.272 10 0 CDAERP CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001568685346 1169430693 /nfs/dbraw/zinc/43/06/93/1169430693.db2.gz VSJNCFYGLWRNHK-KBPBESRZSA-N 2 0 269.433 1.754 10 0 CDAERP O[C@@H](C[NH2+]C[C@@H]1CC2CCC1CC2)C[NH+]1CCCC1 ZINC000400137887 940843003 /nfs/dbraw/zinc/84/30/03/940843003.db2.gz QFTFBIIWSYLXOO-CKUJCDMFSA-N 2 0 266.429 1.859 10 0 CDAERP O[C@@H](C[NH2+]C[C@H]1CC2CCC1CC2)C[NH+]1CCCC1 ZINC000400137889 940843067 /nfs/dbraw/zinc/84/30/67/940843067.db2.gz QFTFBIIWSYLXOO-FJBKBRRZSA-N 2 0 266.429 1.859 10 0 CDAERP CCc1nn(C)cc1C[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000400346925 940847413 /nfs/dbraw/zinc/84/74/13/940847413.db2.gz KTYJOHLNCSVBTN-NSHDSACASA-N 2 0 250.390 1.460 10 0 CDAERP CC(C)[NH+](CCN[C@@H]1C[C@@H]([NH3+])C12CCC2)C(C)C ZINC000405307185 940981120 /nfs/dbraw/zinc/98/11/20/940981120.db2.gz MUELCRXXPUPJNO-ZIAGYGMSSA-N 2 0 253.434 1.965 10 0 CDAERP CC[NH+]1CCC(C[NH2+]CC2CCC(O)CC2)CC1 ZINC000310890271 941312295 /nfs/dbraw/zinc/31/22/95/941312295.db2.gz UGRDKNYEHBKQRS-UHFFFAOYSA-N 2 0 254.418 1.859 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCCOC ZINC001276980817 941770633 /nfs/dbraw/zinc/77/06/33/941770633.db2.gz WTZPCRVLOREMOQ-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CC[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001277079689 941922454 /nfs/dbraw/zinc/92/24/54/941922454.db2.gz KDKKXYKJYXPHMB-GFCCVEGCSA-N 2 0 253.390 1.119 10 0 CDAERP C[C@@H](F)CC[NH2+]CC[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001280297170 942428022 /nfs/dbraw/zinc/42/80/22/942428022.db2.gz RVFOKGUVCJBZPP-HUUCEWRRSA-N 2 0 299.434 1.659 10 0 CDAERP O=C(C[NH+]1CCCC1)NCC1([NH2+]CC2CC2)CCC1 ZINC001280544820 942460951 /nfs/dbraw/zinc/46/09/51/942460951.db2.gz GUABIDALDJBTFJ-UHFFFAOYSA-N 2 0 265.401 1.121 10 0 CDAERP CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001282497635 942724187 /nfs/dbraw/zinc/72/41/87/942724187.db2.gz PFVAVQVYROLMNW-UONOGXRCSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)[NH2+][C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001277598316 943090774 /nfs/dbraw/zinc/09/07/74/943090774.db2.gz OZZWGEHEFUUFPE-ZIAGYGMSSA-N 2 0 269.433 1.467 10 0 CDAERP CC[C@H](C(=O)N(C)C1CC([NH2+]C(C)C)C1)[NH+](C)C ZINC001284815720 943261885 /nfs/dbraw/zinc/26/18/85/943261885.db2.gz LBFJOMZDDPARBM-WXRRBKDZSA-N 2 0 255.406 1.314 10 0 CDAERP CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001277663018 943265964 /nfs/dbraw/zinc/26/59/64/943265964.db2.gz REVBQPXOCCMFGN-ZIAGYGMSSA-N 2 0 269.433 1.563 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H]1C[NH2+]CC[C@H]1CCCO1 ZINC001277932514 944100387 /nfs/dbraw/zinc/10/03/87/944100387.db2.gz HJBIIMCDNZUCRA-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP C[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)CCC1CC1 ZINC001265007501 944199576 /nfs/dbraw/zinc/19/95/76/944199576.db2.gz TUNRQECGBBQBCV-UHFFFAOYSA-N 2 0 293.455 1.853 10 0 CDAERP C[N@H+](CCCF)CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001265043568 944212516 /nfs/dbraw/zinc/21/25/16/944212516.db2.gz RDWBOBBXHHABQQ-UHFFFAOYSA-N 2 0 287.423 1.516 10 0 CDAERP CCC[NH2+][C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001265543843 944423234 /nfs/dbraw/zinc/42/32/34/944423234.db2.gz SMWOQTIQRJUBQR-TXEJJXNPSA-N 2 0 253.390 1.118 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001265691969 944470852 /nfs/dbraw/zinc/47/08/52/944470852.db2.gz VXMLPCQBZBVFCD-CVEARBPZSA-N 2 0 293.455 1.875 10 0 CDAERP CC[N@H+](C)CCCNC(=O)CC[NH+]1CCCCC1 ZINC001265978828 944612073 /nfs/dbraw/zinc/61/20/73/944612073.db2.gz ZFNKAEDHLSLDRT-UHFFFAOYSA-N 2 0 255.406 1.320 10 0 CDAERP CC[C@H](C(=O)N1CC[C@H](C[NH2+]CCC(C)C)C1)[NH+](C)C ZINC001265990908 944617903 /nfs/dbraw/zinc/61/79/03/944617903.db2.gz WNPQUFKQIZNDPT-HUUCEWRRSA-N 2 0 283.460 1.811 10 0 CDAERP CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001266157951 944723191 /nfs/dbraw/zinc/72/31/91/944723191.db2.gz CZKKEYGRIGKPDB-UONOGXRCSA-N 2 0 269.433 1.611 10 0 CDAERP C[NH+](C)CCC(=O)NC/C=C\C[NH2+]Cc1ccc(F)cc1 ZINC001568912859 1169545462 /nfs/dbraw/zinc/54/54/62/1169545462.db2.gz RKTKXVKUOVUZIS-ARJAWSKDSA-N 2 0 293.386 1.539 10 0 CDAERP COc1ccc(CC[NH2+]C[C@H](N)CC(F)F)cn1 ZINC001262162491 946480987 /nfs/dbraw/zinc/48/09/87/946480987.db2.gz PSWPVVPQRXJXSM-SNVBAGLBSA-N 2 0 259.300 1.205 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001479392256 971317683 /nfs/dbraw/zinc/31/76/83/971317683.db2.gz WMTKOARQRHWSDH-MGPQQGTHSA-N 2 0 299.434 1.561 10 0 CDAERP CC(C)[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001479522857 971335698 /nfs/dbraw/zinc/33/56/98/971335698.db2.gz MIAXRZYBWPVSJA-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)C1 ZINC001362485217 971326467 /nfs/dbraw/zinc/32/64/67/971326467.db2.gz SBAMBROSBUUADQ-BYNSBNAKSA-N 2 0 279.428 1.127 10 0 CDAERP CCC(CC)C[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001479812093 971433334 /nfs/dbraw/zinc/43/33/34/971433334.db2.gz GFPMHNJDVQDFEE-HNNXBMFYSA-N 2 0 283.460 1.812 10 0 CDAERP C[C@H]([NH2+]CCCF)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001279006039 948563030 /nfs/dbraw/zinc/56/30/30/948563030.db2.gz IGHLDKPZSOAHAN-KBPBESRZSA-N 2 0 299.434 1.657 10 0 CDAERP CC/C=C\CC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001480120510 971585936 /nfs/dbraw/zinc/58/59/36/971585936.db2.gz KCKLBDSMLSAQOF-JZIMQPMSSA-N 2 0 291.439 1.629 10 0 CDAERP CC/C=C/CC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001480120506 971586091 /nfs/dbraw/zinc/58/60/91/971586091.db2.gz KCKLBDSMLSAQOF-BWPKMQGJSA-N 2 0 291.439 1.629 10 0 CDAERP CC(C)OCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001480146729 971601497 /nfs/dbraw/zinc/60/14/97/971601497.db2.gz DOAQFQMKKKSQLU-RBSFLKMASA-N 2 0 297.443 1.133 10 0 CDAERP C[C@@H](C(=O)N1CC[NH2+][C@H](Cc2ccccc2)C1)n1ccnc1 ZINC001362774032 971608678 /nfs/dbraw/zinc/60/86/78/971608678.db2.gz SLBIXOSERSWQKW-GOEBONIOSA-N 2 0 298.390 1.487 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001278585367 950267509 /nfs/dbraw/zinc/26/75/09/950267509.db2.gz LCQRSIIKRVXTTK-KGLIPLIRSA-N 2 0 281.444 1.613 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+](CC2CCC2)C1 ZINC001480263345 971652970 /nfs/dbraw/zinc/65/29/70/971652970.db2.gz RPQSCUYIEZIWNV-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001480619589 971811671 /nfs/dbraw/zinc/81/16/71/971811671.db2.gz GSJCBVKRJDOUBD-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001480659180 971828224 /nfs/dbraw/zinc/82/82/24/971828224.db2.gz OUJMPKMOATZFRW-MRXNPFEDSA-N 2 0 293.455 1.877 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001480804313 971885033 /nfs/dbraw/zinc/88/50/33/971885033.db2.gz UEFZIENETUWDOG-KBPBESRZSA-N 2 0 269.433 1.469 10 0 CDAERP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[C@@H](CC[NH+](C)C)C1 ZINC001363562525 953459500 /nfs/dbraw/zinc/45/95/00/953459500.db2.gz KUTDJALAUXUEBQ-UONOGXRCSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)CC[NH+]1CC[C@@H](F)C1 ZINC001363611549 953540219 /nfs/dbraw/zinc/54/02/19/953540219.db2.gz RBZQKKMVMLNQCP-CABCVRRESA-N 2 0 299.434 1.609 10 0 CDAERP CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001324770793 953567051 /nfs/dbraw/zinc/56/70/51/953567051.db2.gz KYKOPZVCOZMPRF-HOCLYGCPSA-N 2 0 281.444 1.709 10 0 CDAERP Cn1cnnc1CC1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001363831549 953879283 /nfs/dbraw/zinc/87/92/83/953879283.db2.gz FCSFWNTUZWENCY-OAHLLOKOSA-N 2 0 291.443 1.554 10 0 CDAERP CCN1CC[C@@H]1C(=O)N1CCCC[C@H]1[C@@H](C)C[NH+](C)C ZINC001364176332 954287238 /nfs/dbraw/zinc/28/72/38/954287238.db2.gz CUXBHHNQHRAITR-SOUVJXGZSA-N 2 0 281.444 1.659 10 0 CDAERP CC/C=C\CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001326928077 954621975 /nfs/dbraw/zinc/62/19/75/954621975.db2.gz IFSMSBXYCAVEDR-XVWMLYKFSA-N 2 0 293.455 1.923 10 0 CDAERP CN(C[C@H](O)C[N@@H+]1CCCC[C@@]12CCCOC2)C1CC1 ZINC001364556766 954797565 /nfs/dbraw/zinc/79/75/65/954797565.db2.gz HIIVWMIOQANDBQ-HOTGVXAUSA-N 2 0 282.428 1.477 10 0 CDAERP CCC[N@@H+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001364645460 954945953 /nfs/dbraw/zinc/94/59/53/954945953.db2.gz OUJGZZMQOZZVDS-UHFFFAOYSA-N 2 0 293.455 1.805 10 0 CDAERP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H]2C[C@H]3COC[C@H]3O2)CC1 ZINC001335941327 955090302 /nfs/dbraw/zinc/09/03/02/955090302.db2.gz GOBUCSUCGUJCAP-LJISPDSOSA-N 2 0 268.401 1.206 10 0 CDAERP CC[C@H](C)C[NH2+][C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001491618678 955317141 /nfs/dbraw/zinc/31/71/41/955317141.db2.gz SIBZMFUSYABMMG-ZFWWWQNUSA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001421564166 955411696 /nfs/dbraw/zinc/41/16/96/955411696.db2.gz WJVPATOSKPPUCI-GJZGRUSLSA-N 2 0 283.460 1.667 10 0 CDAERP C[C@H]([NH2+]CCN(C)C(=O)CC[NH+](C)C)c1ccc(F)cc1 ZINC001493681167 972098222 /nfs/dbraw/zinc/09/82/22/972098222.db2.gz CDLXJSYSQRCYAN-ZDUSSCGKSA-N 2 0 295.402 1.886 10 0 CDAERP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+]CC1=CCCCC1 ZINC001492077802 955593558 /nfs/dbraw/zinc/59/35/58/955593558.db2.gz JOMJKHIWHWCRKI-CQSZACIVSA-N 2 0 281.444 1.923 10 0 CDAERP CCC[NH2+]CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001493803602 972115690 /nfs/dbraw/zinc/11/56/90/972115690.db2.gz PYSAWPLALITCIV-CHWSQXEVSA-N 2 0 255.406 1.317 10 0 CDAERP CCC[NH2+][C@H](C)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001329076589 955668494 /nfs/dbraw/zinc/66/84/94/955668494.db2.gz SGLRYCMTHLGDHO-OLZOCXBDSA-N 2 0 267.417 1.508 10 0 CDAERP CC(C)[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CC1CC(C)C1 ZINC001422118435 955755546 /nfs/dbraw/zinc/75/55/46/955755546.db2.gz LNYFANFILXHNOR-NRXISQOPSA-N 2 0 283.460 1.715 10 0 CDAERP CC[N@H+](C)C[C@@H](O)CN1CC[NH+](C2CCCC2)[C@H](C)C1 ZINC001365337894 955918702 /nfs/dbraw/zinc/91/87/02/955918702.db2.gz BUSKEGZBPGJZCD-GDBMZVCRSA-N 2 0 283.460 1.248 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1cncs1 ZINC001422377932 955971331 /nfs/dbraw/zinc/97/13/31/955971331.db2.gz HTLRJPPPSVAADE-WDEREUQCSA-N 2 0 284.429 1.078 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CCCF ZINC001317260762 955996895 /nfs/dbraw/zinc/99/68/95/955996895.db2.gz VYLULFCIUNKCOU-ZIAGYGMSSA-N 2 0 287.423 1.561 10 0 CDAERP CC(C)[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001365516957 956111262 /nfs/dbraw/zinc/11/12/62/956111262.db2.gz DURUTZRVIFBQKF-CABCVRRESA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CCC(C)C)C1)[NH+](C)C ZINC001365838288 956389331 /nfs/dbraw/zinc/38/93/31/956389331.db2.gz AXEXXLKWDSSTPJ-RBSFLKMASA-N 2 0 283.460 1.857 10 0 CDAERP O=C(N[C@H]1C[C@H]([NH2+]C/C=C\Cl)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001366116314 956576742 /nfs/dbraw/zinc/57/67/42/956576742.db2.gz MGLNQQZBTWTSIZ-XRSZVFNYSA-N 2 0 297.830 1.318 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccsc2)C1)[NH+](C)C ZINC001366168029 956615201 /nfs/dbraw/zinc/61/52/01/956615201.db2.gz GZQIVAUTIHEAJM-MJBXVCDLSA-N 2 0 295.452 1.825 10 0 CDAERP CCCC[N@H+](C)CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001316859282 956645935 /nfs/dbraw/zinc/64/59/35/956645935.db2.gz MYYGPLYXAQSUEK-CQSZACIVSA-N 2 0 269.433 1.566 10 0 CDAERP CN(C(=O)CCC[NH+](C)C)C1C[NH+](CC[C@H]2CCCO2)C1 ZINC001423412327 956767647 /nfs/dbraw/zinc/76/76/47/956767647.db2.gz MPLWWEHVEYTBEM-OAHLLOKOSA-N 2 0 297.443 1.040 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001366397922 956796226 /nfs/dbraw/zinc/79/62/26/956796226.db2.gz YVJDWVQKSCTQCK-KGLIPLIRSA-N 2 0 299.434 1.799 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CC[C@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001423580981 956873754 /nfs/dbraw/zinc/87/37/54/956873754.db2.gz XSPHEZYSYQHSMI-HIFRSBDPSA-N 2 0 287.423 1.657 10 0 CDAERP CC[N@H+](CCNC(=O)C12CCC[NH+](CCC1)C2)CC(C)C ZINC001366614830 957040805 /nfs/dbraw/zinc/04/08/05/957040805.db2.gz SIAPQPHIGWAWSA-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[NH+](C)CCF)C1 ZINC001316844782 957070553 /nfs/dbraw/zinc/07/05/53/957070553.db2.gz YVHIRGBUQLLVQS-AWEZNQCLSA-N 2 0 287.423 1.516 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001366699835 957123326 /nfs/dbraw/zinc/12/33/26/957123326.db2.gz NXNZIKPBRAHYRI-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@H](C)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001316947859 957146640 /nfs/dbraw/zinc/14/66/40/957146640.db2.gz OQAHAHWXWLMVBI-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP CC[NH2+]C1(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CCC1 ZINC001424216829 957159837 /nfs/dbraw/zinc/15/98/37/957159837.db2.gz TUTOZDGSDQMBLS-INIZCTEOSA-N 2 0 299.434 1.847 10 0 CDAERP CCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001316990122 957187510 /nfs/dbraw/zinc/18/75/10/957187510.db2.gz DWLAOADYDKIWJV-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CCCF)C2)CC[N@@H+]1C ZINC001317058038 957233581 /nfs/dbraw/zinc/23/35/81/957233581.db2.gz RJPAXBHYMFWVNO-MELADBBJSA-N 2 0 285.407 1.267 10 0 CDAERP CC[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CCCF)C1)[NH+](C)C ZINC001366881926 957242366 /nfs/dbraw/zinc/24/23/66/957242366.db2.gz SOJWKCZMUTVIAH-UONOGXRCSA-N 2 0 287.423 1.467 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CCOC2CCC2)C1 ZINC001317094302 957264333 /nfs/dbraw/zinc/26/43/33/957264333.db2.gz ZPBQWRHCKMVRDX-HDJSIYSDSA-N 2 0 297.443 1.133 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CCC[N@H+](CC2CCC2)C1)[NH+](C)C ZINC001366908799 957264839 /nfs/dbraw/zinc/26/48/39/957264839.db2.gz HVTCWXBMDXPYLX-LSDHHAIUSA-N 2 0 281.444 1.707 10 0 CDAERP O=C(N[C@H]1C[C@@H]([NH2+]CCCF)C1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001317111345 957277771 /nfs/dbraw/zinc/27/77/71/957277771.db2.gz ABCHKLGNUXDGON-LJISPDSOSA-N 2 0 297.418 1.600 10 0 CDAERP CC(C)C[NH2+]CC1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001424723636 957321758 /nfs/dbraw/zinc/32/17/58/957321758.db2.gz DHDFDYIWXNPDEJ-NWINJMCUSA-N 2 0 290.411 1.654 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001367058827 957374590 /nfs/dbraw/zinc/37/45/90/957374590.db2.gz LILKWYJESYIEKR-CHWSQXEVSA-N 2 0 273.396 1.219 10 0 CDAERP COCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001331997466 957390917 /nfs/dbraw/zinc/39/09/17/957390917.db2.gz PCZWXSLCQWGKCW-KGLIPLIRSA-N 2 0 297.443 1.086 10 0 CDAERP CC(C)CCC[NH2+][C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001317280905 957401555 /nfs/dbraw/zinc/40/15/55/957401555.db2.gz ALQFCIVVELAQDX-CABCVRRESA-N 2 0 283.460 1.859 10 0 CDAERP COCCC[NH2+][C@@H]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001317364144 957437648 /nfs/dbraw/zinc/43/76/48/957437648.db2.gz RQJNDLLMYZDGJB-CABCVRRESA-N 2 0 297.443 1.136 10 0 CDAERP COCCC[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001317404483 957455645 /nfs/dbraw/zinc/45/56/45/957455645.db2.gz VBBWDKQFTMLUQU-KKUMJFAQSA-N 2 0 299.459 1.238 10 0 CDAERP CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001425584457 957574745 /nfs/dbraw/zinc/57/47/45/957574745.db2.gz XXIKRZKMDFEFQB-HIFRSBDPSA-N 2 0 281.444 1.850 10 0 CDAERP CC[NH2+]CCN(C)C(=O)c1ccccc1CC[NH+](C)C ZINC001317614053 957599374 /nfs/dbraw/zinc/59/93/74/957599374.db2.gz BERITSUUIOVCKH-UHFFFAOYSA-N 2 0 277.412 1.472 10 0 CDAERP CCC(CC)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001425883491 957634306 /nfs/dbraw/zinc/63/43/06/957634306.db2.gz AMDGGQNLLNJVOA-DZGCQCFKSA-N 2 0 283.460 1.953 10 0 CDAERP CCC(CC)C[NH2+][C@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001425883523 957635166 /nfs/dbraw/zinc/63/51/66/957635166.db2.gz AMDGGQNLLNJVOA-ZFWWWQNUSA-N 2 0 283.460 1.953 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@@H]1[NH+](CCOC)CC2 ZINC001425907552 957641511 /nfs/dbraw/zinc/64/15/11/957641511.db2.gz NPFFKWIFSIAALQ-HOCLYGCPSA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001367373414 957974473 /nfs/dbraw/zinc/97/44/73/957974473.db2.gz CPDVIICROULIIG-KBPBESRZSA-N 2 0 283.460 1.811 10 0 CDAERP CN(CC[N@H+](C)CCCF)C(=O)C12CCC[NH+](CCC1)C2 ZINC001367525546 958099471 /nfs/dbraw/zinc/09/94/71/958099471.db2.gz UWDLNBIMTUUCQG-UHFFFAOYSA-N 2 0 299.434 1.612 10 0 CDAERP C[NH+]1CCC(C(=O)NC2(C[NH2+]CCCF)CCCC2)CC1 ZINC001318653401 958214691 /nfs/dbraw/zinc/21/46/91/958214691.db2.gz FJNPGNHFTNAZKJ-UHFFFAOYSA-N 2 0 299.434 1.706 10 0 CDAERP CCCC[NH2+]C[C@](C)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001318728483 958245527 /nfs/dbraw/zinc/24/55/27/958245527.db2.gz OLDJHIPJVWLXSM-INIZCTEOSA-N 2 0 281.444 1.757 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C)cc1)[NH+](C)C ZINC001367742346 958293435 /nfs/dbraw/zinc/29/34/35/958293435.db2.gz XZQRLBOENLSNLJ-GOEBONIOSA-N 2 0 291.439 1.930 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N[C@@H](C[NH2+]CC2CC2)C2CC2)C1 ZINC001367898041 958463347 /nfs/dbraw/zinc/46/33/47/958463347.db2.gz GLGCUZTWCBDWEP-WFASDCNBSA-N 2 0 279.428 1.223 10 0 CDAERP CC(C)COCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001319574950 958638507 /nfs/dbraw/zinc/63/85/07/958638507.db2.gz QQBGVYYKBHOCDN-LSDHHAIUSA-N 2 0 299.459 1.047 10 0 CDAERP CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001319870741 958761969 /nfs/dbraw/zinc/76/19/69/958761969.db2.gz UKCHKSLGPLFWSD-HUUCEWRRSA-N 2 0 281.444 1.709 10 0 CDAERP CC[NH2+][C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001319955171 958814884 /nfs/dbraw/zinc/81/48/84/958814884.db2.gz CJFZJUIFIRCTDG-STQMWFEESA-N 2 0 255.406 1.079 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](CC)[NH2+]CCF)C1 ZINC001495040967 972384824 /nfs/dbraw/zinc/38/48/24/972384824.db2.gz IOMPREPSIGZWDD-UONOGXRCSA-N 2 0 287.423 1.562 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]CCOC ZINC001495068626 972395614 /nfs/dbraw/zinc/39/56/14/972395614.db2.gz HIMLNPYQHDMZNV-CABCVRRESA-N 2 0 299.459 1.382 10 0 CDAERP COc1ccc(CC[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)cn1 ZINC001334390565 959078471 /nfs/dbraw/zinc/07/84/71/959078471.db2.gz NLYIUTTZUXVWKP-STQMWFEESA-N 2 0 261.369 1.492 10 0 CDAERP CCCCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001320373907 959130140 /nfs/dbraw/zinc/13/01/40/959130140.db2.gz XPEZSJISPYSDGP-KBPBESRZSA-N 2 0 269.433 1.755 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccccn1 ZINC001368901329 959238289 /nfs/dbraw/zinc/23/82/89/959238289.db2.gz UIWCQBRDDNSTAZ-ZIAGYGMSSA-N 2 0 292.427 1.406 10 0 CDAERP CCN(CC[NH2+]CC1CCC1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001320738466 959360188 /nfs/dbraw/zinc/36/01/88/959360188.db2.gz VZFKLKQVQKQAHX-MRXNPFEDSA-N 2 0 293.455 1.566 10 0 CDAERP CCN(CC[NH2+]CC[C@@H](C)F)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001320921443 959460246 /nfs/dbraw/zinc/46/02/46/959460246.db2.gz MHAFJXNJIDQIAQ-OLZOCXBDSA-N 2 0 273.396 1.124 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccccc1 ZINC001371246106 972432448 /nfs/dbraw/zinc/43/24/48/972432448.db2.gz WJXQVFYLKYFIJO-ZBFHGGJFSA-N 2 0 289.423 1.765 10 0 CDAERP CC(C)[NH2+]C/C=C\CNC(=O)C1([NH+](C)C)CCC1 ZINC001321092183 959582365 /nfs/dbraw/zinc/58/23/65/959582365.db2.gz PFGCSFMKQRNEHK-WAYWQWQTSA-N 2 0 253.390 1.141 10 0 CDAERP CC(C)[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001321120440 959604229 /nfs/dbraw/zinc/60/42/29/959604229.db2.gz IZOHSBBRJGEHEK-SZZPACECSA-N 2 0 253.390 1.141 10 0 CDAERP CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[N@H+](C)CC)C[C@@H]21 ZINC001369422663 959680447 /nfs/dbraw/zinc/68/04/47/959680447.db2.gz PYUJMYUWHVXMCS-HRCADAONSA-N 2 0 295.471 1.955 10 0 CDAERP Cc1nc[nH]c1CC(=O)NCC=CC[NH2+]Cc1ccccn1 ZINC001321353899 959743431 /nfs/dbraw/zinc/74/34/31/959743431.db2.gz UWOSYTJXGLTMMG-SNAWJCMRSA-N 2 0 299.378 1.118 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]C(C)C)C1CC1 ZINC001370205465 960021428 /nfs/dbraw/zinc/02/14/28/960021428.db2.gz RRCZNDLURFOTTQ-HZPDHXFCSA-N 2 0 295.471 2.000 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001370456599 960114136 /nfs/dbraw/zinc/11/41/36/960114136.db2.gz LDNYLZKEKYXDKY-KBUPBQIOSA-N 2 0 281.444 1.610 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H](CC[NH2+]CCC2CC2)C1 ZINC001495382370 972484852 /nfs/dbraw/zinc/48/48/52/972484852.db2.gz YOYZKVRTZLVPRR-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001495395812 972486687 /nfs/dbraw/zinc/48/66/87/972486687.db2.gz IICDJDSKZZXUSZ-UONOGXRCSA-N 2 0 267.417 1.176 10 0 CDAERP C[C@H](NC(=O)CC[NH+](C)C)[C@H]1CCC[N@H+](CCC2CC2)C1 ZINC001370979872 960248027 /nfs/dbraw/zinc/24/80/27/960248027.db2.gz SIUWJTRWMWVEAI-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001418642058 960838088 /nfs/dbraw/zinc/83/80/88/960838088.db2.gz SGCZJLYCPWAJFZ-CABCVRRESA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001418673925 960885284 /nfs/dbraw/zinc/88/52/84/960885284.db2.gz XVIJWWUGWNXIFE-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001418673917 960885493 /nfs/dbraw/zinc/88/54/93/960885493.db2.gz XVIJWWUGWNXIFE-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)CC1(C(=O)NC2C[NH+](CCC(C)(C)C)C2)CC1 ZINC001418984457 961228513 /nfs/dbraw/zinc/22/85/13/961228513.db2.gz WFTUIWCEXLXEIY-UHFFFAOYSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[C@@H]3C[NH+](C)C[C@@H]23)CC[N@@H+]1C ZINC001434419887 961343773 /nfs/dbraw/zinc/34/37/73/961343773.db2.gz WWIOZVQFQCBZHR-XLWJZTARSA-N 2 0 279.428 1.173 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC[C@@H](C)F)C1 ZINC001419178877 961474249 /nfs/dbraw/zinc/47/42/49/961474249.db2.gz TZLDVIDGKAGQKK-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)C(C)C ZINC001436334788 962189632 /nfs/dbraw/zinc/18/96/32/962189632.db2.gz QWLWPKNNTZVSIO-GJZGRUSLSA-N 2 0 283.460 1.905 10 0 CDAERP CC(C)[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCC1CC1 ZINC001419935709 962254843 /nfs/dbraw/zinc/25/48/43/962254843.db2.gz GTVYVPSMAZKJHP-GJZGRUSLSA-N 2 0 281.444 1.469 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCOC(C)C)[C@@H]1C ZINC001436514301 962300523 /nfs/dbraw/zinc/30/05/23/962300523.db2.gz SDHIYWMTRZBJFD-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP C[N@H+](CCCF)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001420036319 962397280 /nfs/dbraw/zinc/39/72/80/962397280.db2.gz QHCMILFJPVKFHG-LSDHHAIUSA-N 2 0 299.434 1.753 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)CC2CC2)C1 ZINC001420050165 962419228 /nfs/dbraw/zinc/41/92/28/962419228.db2.gz MSAOJCPOIUWUJZ-OAHLLOKOSA-N 2 0 281.444 1.659 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]([NH2+]CC2CCC2)C2CC2)C1 ZINC001436805617 962430670 /nfs/dbraw/zinc/43/06/70/962430670.db2.gz IDYXPJBACZKRSZ-CJNGLKHVSA-N 2 0 293.455 1.613 10 0 CDAERP C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]C[C@@H]1CCOC1 ZINC001437202514 962731953 /nfs/dbraw/zinc/73/19/53/962731953.db2.gz HSOUTPSXKTVWOV-KBPBESRZSA-N 2 0 299.459 1.095 10 0 CDAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1ccns1 ZINC001437202270 962732217 /nfs/dbraw/zinc/73/22/17/962732217.db2.gz GKKCRECDKSEYGR-NWDGAFQWSA-N 2 0 296.440 1.079 10 0 CDAERP C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]C[C@@H]1CCOC1 ZINC001437202515 962732393 /nfs/dbraw/zinc/73/23/93/962732393.db2.gz HSOUTPSXKTVWOV-KGLIPLIRSA-N 2 0 299.459 1.095 10 0 CDAERP CC[C@H](C)C[NH2+][C@H](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001437399279 962861073 /nfs/dbraw/zinc/86/10/73/962861073.db2.gz CLOCRRXVXHLSII-UONOGXRCSA-N 2 0 283.460 1.859 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)CCC(C)C ZINC001437570432 963022393 /nfs/dbraw/zinc/02/23/93/963022393.db2.gz OSXOVBOHNDQGNX-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)C[C@@H](C)O ZINC001420614885 963120681 /nfs/dbraw/zinc/12/06/81/963120681.db2.gz UJWLXTDRGBAWMS-CQSZACIVSA-N 2 0 299.459 1.070 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]C(C)C)C1CC1 ZINC001420731926 963210516 /nfs/dbraw/zinc/21/05/16/963210516.db2.gz BFRUJLIGLBWIJC-LSDHHAIUSA-N 2 0 281.444 1.754 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001437952069 963253993 /nfs/dbraw/zinc/25/39/93/963253993.db2.gz ZKBLOILXMDTZML-JKSUJKDBSA-N 2 0 295.471 1.812 10 0 CDAERP CC[C@H](C[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)OC ZINC001437995623 963275532 /nfs/dbraw/zinc/27/55/32/963275532.db2.gz WXAWNURSWHGIPK-LSDHHAIUSA-N 2 0 299.459 1.143 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001420848716 963298416 /nfs/dbraw/zinc/29/84/16/963298416.db2.gz OHMXGOKQSRVWJK-GJZGRUSLSA-N 2 0 281.444 1.565 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NCC[C@@H]2CC[NH+](CCCF)C2)C1 ZINC001420878238 963322922 /nfs/dbraw/zinc/32/29/22/963322922.db2.gz BNWCAFHURNXNIM-KGLIPLIRSA-N 2 0 285.407 1.126 10 0 CDAERP CCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001420981518 963402917 /nfs/dbraw/zinc/40/29/17/963402917.db2.gz LNHUGQFPHPBBHT-UONOGXRCSA-N 2 0 279.428 1.652 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC1C[NH+](CC2CCCC2)C1 ZINC001421055158 963433795 /nfs/dbraw/zinc/43/37/95/963433795.db2.gz SONMZLKMBLUSFJ-MRXNPFEDSA-N 2 0 293.455 1.851 10 0 CDAERP Cc1ncc(C[NH2+]C[C@@H]2CCCN2C(=O)CC[NH+](C)C)o1 ZINC001421129834 963467376 /nfs/dbraw/zinc/46/73/76/963467376.db2.gz OULYRAUTINAQII-ZDUSSCGKSA-N 2 0 294.399 1.015 10 0 CDAERP C[C@H](F)CC[NH+]1CC(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001421190278 963491750 /nfs/dbraw/zinc/49/17/50/963491750.db2.gz KQBAOSOIXMBQDG-AWEZNQCLSA-N 2 0 299.434 1.659 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cnc(C)o1 ZINC001421387735 963585223 /nfs/dbraw/zinc/58/52/23/963585223.db2.gz YAPQLTUDUGBITI-JSGCOSHPSA-N 2 0 294.399 1.062 10 0 CDAERP CC[C@H](C[NH2+]C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1)OC ZINC001439138989 963652796 /nfs/dbraw/zinc/65/27/96/963652796.db2.gz LXSCPYTYUVXORI-ZIAGYGMSSA-N 2 0 299.459 1.380 10 0 CDAERP CC(C)C[N@H+](C)C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001439346927 963731237 /nfs/dbraw/zinc/73/12/37/963731237.db2.gz ZKHPLVGHDJOFRN-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]C/C=C\Cl)CC2)CC[N@@H+]1C ZINC001439610113 963821648 /nfs/dbraw/zinc/82/16/48/963821648.db2.gz ZKFDOHBNKNGSDP-PAELRZLGSA-N 2 0 299.846 1.708 10 0 CDAERP CC(C)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001439887208 963888453 /nfs/dbraw/zinc/88/84/53/963888453.db2.gz LOPMCNKTPUXNLA-NVXWUHKLSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCC[NH+](C)C ZINC001440255491 963958631 /nfs/dbraw/zinc/95/86/31/963958631.db2.gz UDZGWVAAOWWTJJ-ZIAGYGMSSA-N 2 0 287.423 1.609 10 0 CDAERP CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001440280353 963969417 /nfs/dbraw/zinc/96/94/17/963969417.db2.gz XIFBFMVTTKJYND-LSDHHAIUSA-N 2 0 281.444 1.659 10 0 CDAERP CC[NH2+][C@@H](C)[C@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001440835204 964204207 /nfs/dbraw/zinc/20/42/07/964204207.db2.gz KZYHYYFQIFWMCM-KBPBESRZSA-N 2 0 291.439 1.907 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](C)CCC2CC2)CC[N@@H+]1C ZINC001440928159 964267313 /nfs/dbraw/zinc/26/73/13/964267313.db2.gz WBVFPMDUHDYMOY-VNQPRFMTSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001441384501 964489709 /nfs/dbraw/zinc/48/97/09/964489709.db2.gz KXUSSJZLSOYHNQ-AVGNSLFASA-N 2 0 285.407 1.456 10 0 CDAERP CC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)C[C@H](C)OC ZINC001442700900 965181075 /nfs/dbraw/zinc/18/10/75/965181075.db2.gz JZIMBQRPSXHNPI-AWEZNQCLSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)C ZINC001443419031 965462506 /nfs/dbraw/zinc/46/25/06/965462506.db2.gz JALZSQNEISBEHZ-SOUVJXGZSA-N 2 0 283.460 1.809 10 0 CDAERP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]C/C(Cl)=C/Cl ZINC001443981400 965697592 /nfs/dbraw/zinc/69/75/92/965697592.db2.gz CERXHEFOJMQZLV-ZJRUKIMVSA-N 2 0 296.242 1.742 10 0 CDAERP CC(C)C[N@H+](C)CCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001445073787 966087360 /nfs/dbraw/zinc/08/73/60/966087360.db2.gz KXEQEJFNBRRROD-GJZGRUSLSA-N 2 0 283.460 1.905 10 0 CDAERP CC(C)CC[N@H+](C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001445072479 966089763 /nfs/dbraw/zinc/08/97/63/966089763.db2.gz PXGQGHPDBAPOIR-UHFFFAOYSA-N 2 0 281.444 1.519 10 0 CDAERP CC[NH2+]C[C@H](C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001445605027 966252195 /nfs/dbraw/zinc/25/21/95/966252195.db2.gz JHSCEOIPDVNFPM-SMDDNHRTSA-N 2 0 273.396 1.313 10 0 CDAERP C[C@H](C[N@H+](C)CCC1CC1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001445733920 966310200 /nfs/dbraw/zinc/31/02/00/966310200.db2.gz AVVZNWCTDKEHFP-CZUORRHYSA-N 2 0 293.455 1.565 10 0 CDAERP CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001446597129 966594523 /nfs/dbraw/zinc/59/45/23/966594523.db2.gz AGUBPZOKPGMIJS-ZBFHGGJFSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H]([NH2+]CCF)c1ccc(CNC(=O)CC[NH+](C)C)cc1 ZINC001447091043 966696730 /nfs/dbraw/zinc/69/67/30/966696730.db2.gz UQQKGZUEGCIOKI-ZDUSSCGKSA-N 2 0 295.402 1.875 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CCC[N@H+](C)CCCO ZINC001447372447 966771197 /nfs/dbraw/zinc/77/11/97/966771197.db2.gz JPUVQZCPWYCSRR-HUUCEWRRSA-N 2 0 299.459 1.022 10 0 CDAERP CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001448449633 967116124 /nfs/dbraw/zinc/11/61/24/967116124.db2.gz PFIOKXAZGFQETN-PHZGNYQRSA-N 2 0 293.455 1.566 10 0 CDAERP CCN1CC[C@@H]1C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC001544080520 967336065 /nfs/dbraw/zinc/33/60/65/967336065.db2.gz SYCNMXPHEDPPCN-BFHYXJOUSA-N 2 0 267.417 1.460 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC001452133297 968068377 /nfs/dbraw/zinc/06/83/77/968068377.db2.gz KCPDZPIQBPNMJI-HZSPNIEDSA-N 2 0 281.444 1.704 10 0 CDAERP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@H]2CCCC[C@@H]2O)CC1 ZINC001460109454 969476841 /nfs/dbraw/zinc/47/68/41/969476841.db2.gz BWTFTNXUNZESGA-CVEARBPZSA-N 2 0 298.471 1.610 10 0 CDAERP Cc1ncsc1CCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC001473116774 969507487 /nfs/dbraw/zinc/50/74/87/969507487.db2.gz XDAFSNWHIRZARJ-RYUDHWBXSA-N 2 0 251.399 1.535 10 0 CDAERP C[NH+](C)C1(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CCCC1 ZINC001464777400 969814921 /nfs/dbraw/zinc/81/49/21/969814921.db2.gz SVXMNNRALZXLAP-CQSZACIVSA-N 2 0 279.428 1.558 10 0 CDAERP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001466009605 969913328 /nfs/dbraw/zinc/91/33/28/969913328.db2.gz QGMPZKYEOSGGNW-SOUVJXGZSA-N 2 0 299.459 1.190 10 0 CDAERP CC[N@@H+]1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C[C@@H]1C ZINC001466103322 969924163 /nfs/dbraw/zinc/92/41/63/969924163.db2.gz JWJYQRCNULPRAC-RRFJBIMHSA-N 2 0 281.444 1.659 10 0 CDAERP C[NH+](C)C1(C(=O)NCCC2CC[NH+](C)CC2)CCCC1 ZINC001361717893 970456339 /nfs/dbraw/zinc/45/63/39/970456339.db2.gz MPDWNNROHDIQRN-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CCN1CC[C@H]1C(=O)NCc1ccccc1C[NH+](C)C ZINC001361923601 970679761 /nfs/dbraw/zinc/67/97/61/970679761.db2.gz AUUYWZFFQXVLPE-HNNXBMFYSA-N 2 0 275.396 1.459 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)NCc1cccnc1N ZINC001371594356 972562768 /nfs/dbraw/zinc/56/27/68/972562768.db2.gz AIKAATBBVPLUQO-GFCCVEGCSA-N 2 0 291.399 1.336 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C[NH2+]CCCF ZINC001495664524 972585490 /nfs/dbraw/zinc/58/54/90/972585490.db2.gz HHPYTZXEVHMVBH-TZMCWYRMSA-N 2 0 285.407 1.030 10 0 CDAERP CCC[NH2+]C[C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001495683411 972593540 /nfs/dbraw/zinc/59/35/40/972593540.db2.gz PYZRJRMSNIZUAG-KBPBESRZSA-N 2 0 269.433 1.613 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001495785135 972631263 /nfs/dbraw/zinc/63/12/63/972631263.db2.gz IXAFIIQOOMJRSF-QWHCGFSZSA-N 2 0 285.407 1.172 10 0 CDAERP CCOCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001496062614 972781411 /nfs/dbraw/zinc/78/14/11/972781411.db2.gz VIJJNYRADYARKV-RBSFLKMASA-N 2 0 299.459 1.190 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+](C)CC2CCCC2)C1 ZINC001372099787 972788936 /nfs/dbraw/zinc/78/89/36/972788936.db2.gz CHCQZGFSPYSNGG-CQSZACIVSA-N 2 0 281.444 1.566 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)CC1CC1 ZINC001372361642 972933560 /nfs/dbraw/zinc/93/35/60/972933560.db2.gz QKODFQUAKMWIMA-HZPDHXFCSA-N 2 0 293.455 1.851 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH+](C)C[C@@H]1CCCOC1 ZINC001496845398 973120892 /nfs/dbraw/zinc/12/08/92/973120892.db2.gz QIKGVXCKOBBEFW-HNNXBMFYSA-N 2 0 299.459 1.143 10 0 CDAERP Cc1cnc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)o1 ZINC001497156837 973218670 /nfs/dbraw/zinc/21/86/70/973218670.db2.gz YCJVJXMUDNJOHV-YPMHNXCESA-N 2 0 294.399 1.062 10 0 CDAERP C[C@@H](CC[NH2+]CC1CC1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001497208327 973245745 /nfs/dbraw/zinc/24/57/45/973245745.db2.gz QSXAGGMCVUCEMP-DZGCQCFKSA-N 2 0 281.444 1.755 10 0 CDAERP CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001373121309 973272353 /nfs/dbraw/zinc/27/23/53/973272353.db2.gz HJXMUJXMSLIUOS-OAHLLOKOSA-N 2 0 283.460 1.907 10 0 CDAERP O=C(C[NH+]1CCCC1)NCC[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001373242054 973322101 /nfs/dbraw/zinc/32/21/01/973322101.db2.gz DFCLHXSEQWLFJZ-INIZCTEOSA-N 2 0 293.455 1.711 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001417764141 973371764 /nfs/dbraw/zinc/37/17/64/973371764.db2.gz ZHWCKMFOFIRENN-ARILJUKYSA-N 2 0 299.434 1.559 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001417795696 973391434 /nfs/dbraw/zinc/39/14/34/973391434.db2.gz IBAUDZWFPNNVHC-RBSFLKMASA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC1CC1 ZINC001497578379 973417680 /nfs/dbraw/zinc/41/76/80/973417680.db2.gz HTXVVRAVURXZOG-NHZBNJEXSA-N 2 0 279.428 1.531 10 0 CDAERP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+]CC2CCC2)CC[N@@H+]1C ZINC001497585613 973421007 /nfs/dbraw/zinc/42/10/07/973421007.db2.gz KWSPYJMTFDLXML-SQLJOLKNSA-N 2 0 279.428 1.389 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCCC(C)C)C1)[NH+](C)C ZINC001373604874 973514740 /nfs/dbraw/zinc/51/47/40/973514740.db2.gz VWIPIYNSMHIPJL-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001418057542 973559830 /nfs/dbraw/zinc/55/98/30/973559830.db2.gz JQWDRUBCCKIYCX-KBUPBQIOSA-N 2 0 297.418 1.313 10 0 CDAERP C[C@H](C[NH2+]Cc1ccc(F)cc1)NC(=O)C[NH+]1CCCC1 ZINC001497983389 973598232 /nfs/dbraw/zinc/59/82/32/973598232.db2.gz DHKQNFTWNFWTOW-CYBMUJFWSA-N 2 0 293.386 1.516 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001498059403 973653277 /nfs/dbraw/zinc/65/32/77/973653277.db2.gz CSHPZJBBWMLIEA-UONOGXRCSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001418228050 973683497 /nfs/dbraw/zinc/68/34/97/973683497.db2.gz QMKIGKQLFGSWJB-DZGCQCFKSA-N 2 0 281.444 1.469 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)[NH2+]CCF ZINC001418263818 973707781 /nfs/dbraw/zinc/70/77/81/973707781.db2.gz DFSMEHOGQYOIQM-HIFRSBDPSA-N 2 0 299.434 1.847 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CCF ZINC001418282146 973724378 /nfs/dbraw/zinc/72/43/78/973724378.db2.gz RCWWGFUGQHOJKJ-CHWSQXEVSA-N 2 0 273.396 1.313 10 0 CDAERP C[C@H](C[NH2+]CC1CCC1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001374221056 973843425 /nfs/dbraw/zinc/84/34/25/973843425.db2.gz DLJPKFNCWRCHAD-UMVBOHGHSA-N 2 0 281.444 1.563 10 0 CDAERP CCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CC[NH+](C)C ZINC001498490244 973945284 /nfs/dbraw/zinc/94/52/84/973945284.db2.gz NOLMJRCVTFWHML-KGLIPLIRSA-N 2 0 269.433 1.613 10 0 CDAERP CCC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001374545644 974008867 /nfs/dbraw/zinc/00/88/67/974008867.db2.gz QBCFFFSRFWZMPX-GJZGRUSLSA-N 2 0 281.444 1.804 10 0 CDAERP CCC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001374545645 974010347 /nfs/dbraw/zinc/01/03/47/974010347.db2.gz QBCFFFSRFWZMPX-HUUCEWRRSA-N 2 0 281.444 1.804 10 0 CDAERP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]CC2CCC2)C2CC2)CC[N@@H+]1C ZINC001498757777 974049763 /nfs/dbraw/zinc/04/97/63/974049763.db2.gz CZNZPTITDFJGPX-WQVCFCJDSA-N 2 0 293.455 1.611 10 0 CDAERP C[C@@H](C(=O)N[C@H](C[NH2+]CCF)C1CC1)[NH+]1CCCCCC1 ZINC001498832891 974072885 /nfs/dbraw/zinc/07/28/85/974072885.db2.gz QIQXAVURTULDMV-DZGCQCFKSA-N 2 0 299.434 1.705 10 0 CDAERP CC[C@H](C(=O)NC[C@H]1CC[N@@H+]1CC1CC(C)(C)C1)[NH+](C)C ZINC001375364612 974351210 /nfs/dbraw/zinc/35/12/10/974351210.db2.gz QELQJQLHJMUTGQ-HUUCEWRRSA-N 2 0 295.471 1.953 10 0 CDAERP O=C(CCC[NH+]1CCCC1)NC[C@H]1CC[N@@H+]1CCC1CC1 ZINC001375375372 974355201 /nfs/dbraw/zinc/35/52/01/974355201.db2.gz IPSSOSNGZNTKNE-MRXNPFEDSA-N 2 0 293.455 1.853 10 0 CDAERP CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001375557596 974422699 /nfs/dbraw/zinc/42/26/99/974422699.db2.gz AHVVJQFMLLPADP-RBSFLKMASA-N 2 0 281.444 1.611 10 0 CDAERP CC[C@H](C(=O)N1CC[C@@](C)(C[NH2+]CCC2CC2)C1)[NH+](C)C ZINC001500392609 974430932 /nfs/dbraw/zinc/43/09/32/974430932.db2.gz FMXXPSRNOBCZFP-WBVHZDCISA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001375756675 974469194 /nfs/dbraw/zinc/46/91/94/974469194.db2.gz LJLLTJXJYUAKSR-KGLIPLIRSA-N 2 0 299.434 1.799 10 0 CDAERP CC(C)[N@@H+]1CCC[C@](C)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001375954594 974522339 /nfs/dbraw/zinc/52/23/39/974522339.db2.gz CHFILRICAWJGCD-NVXWUHKLSA-N 2 0 295.471 1.955 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CCCF)C1 ZINC001501582582 974603041 /nfs/dbraw/zinc/60/30/41/974603041.db2.gz VZDIDDPXBDBFSA-HUUCEWRRSA-N 2 0 299.434 1.659 10 0 CDAERP CC[NH2+]CC[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001501611644 974605652 /nfs/dbraw/zinc/60/56/52/974605652.db2.gz LMABYIRRHJRVSD-ZDUSSCGKSA-N 2 0 267.417 1.176 10 0 CDAERP CC(C)=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001501648247 974616464 /nfs/dbraw/zinc/61/64/64/974616464.db2.gz WMOAIMPKAUTCCV-CVEARBPZSA-N 2 0 293.455 1.733 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]([NH2+]CCF)C1 ZINC001376371202 974644713 /nfs/dbraw/zinc/64/47/13/974644713.db2.gz JSIZKCAJOWRYIS-AVGNSLFASA-N 2 0 271.380 1.067 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCC(F)(F)F)C2)C1 ZINC001376502790 974676510 /nfs/dbraw/zinc/67/65/10/974676510.db2.gz PBYXPTYKUIAVNN-GARJFASQSA-N 2 0 293.333 1.127 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH2+]C/C=C\Cl)CCC2)C1 ZINC001376805986 974777898 /nfs/dbraw/zinc/77/78/98/974777898.db2.gz BEMREGGMYHZPHF-RBWDJNPFSA-N 2 0 299.846 1.709 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1CC(C[NH2+]CCF)C1 ZINC001505497422 974895647 /nfs/dbraw/zinc/89/56/47/974895647.db2.gz HNWOLNQNWNXURV-JXQTWKCFSA-N 2 0 285.407 1.313 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)CCC1CC1 ZINC001377185017 974918004 /nfs/dbraw/zinc/91/80/04/974918004.db2.gz VPVNTGMUKRSSBD-CVEARBPZSA-N 2 0 293.455 1.851 10 0 CDAERP CCCC[NH2+][C@H](C)[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001505754544 974981980 /nfs/dbraw/zinc/98/19/80/974981980.db2.gz UREXKEBPHPYKCG-CHWSQXEVSA-N 2 0 255.406 1.365 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001505760736 974985246 /nfs/dbraw/zinc/98/52/46/974985246.db2.gz OLBBJUZQAJTCFN-UONOGXRCSA-N 2 0 269.433 1.776 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC[NH+](CC1CC1)C1CC1 ZINC001377532234 975067864 /nfs/dbraw/zinc/06/78/64/975067864.db2.gz AVOVUQXOEHUIDJ-OAHLLOKOSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1ccc(F)cn1 ZINC001377856473 975157177 /nfs/dbraw/zinc/15/71/77/975157177.db2.gz XUZJKLVQJGJRGC-NWDGAFQWSA-N 2 0 296.390 1.155 10 0 CDAERP C[NH+](C)CC1(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC4CC4)C[C@H]32)CC1 ZINC001506804018 975225396 /nfs/dbraw/zinc/22/53/96/975225396.db2.gz LUQHXLYSOSTBDF-QKDCVEJESA-N 2 0 291.439 1.032 10 0 CDAERP CC(C)CC[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001507086602 975331089 /nfs/dbraw/zinc/33/10/89/975331089.db2.gz BERPTPHVPHZCHZ-CQSZACIVSA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[N@H+](CC(C)C)CC1(C)C)[NH+](C)C ZINC001378661709 975430976 /nfs/dbraw/zinc/43/09/76/975430976.db2.gz HMFYHPOWNCELLP-KBPBESRZSA-N 2 0 283.460 1.809 10 0 CDAERP CC1CC[NH+](CC(=O)N[C@@H]2CC[C@@H](C[NH2+]CCF)C2)CC1 ZINC001507413961 975459613 /nfs/dbraw/zinc/45/96/13/975459613.db2.gz CTQTWCIVIYCZGD-HUUCEWRRSA-N 2 0 299.434 1.562 10 0 CDAERP CC[C@H](C(=O)N1CCCC[C@H]1C[N@H+](C)CCCO)[NH+](C)C ZINC001388834915 975613017 /nfs/dbraw/zinc/61/30/17/975613017.db2.gz QJGKMFZVLQTKGV-LSDHHAIUSA-N 2 0 299.459 1.022 10 0 CDAERP CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001397583749 975644776 /nfs/dbraw/zinc/64/47/76/975644776.db2.gz UZMFLEIJQMSENT-BBRMVZONSA-N 2 0 299.434 1.752 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CC2)C1 ZINC001397615776 975655645 /nfs/dbraw/zinc/65/56/45/975655645.db2.gz RTOKQKLVSQYVKW-GASCZTMLSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001379323520 975764590 /nfs/dbraw/zinc/76/45/90/975764590.db2.gz CQZUKMAGCCPOKX-LSDHHAIUSA-N 2 0 283.460 1.952 10 0 CDAERP CCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001401775948 975901001 /nfs/dbraw/zinc/90/10/01/975901001.db2.gz AVVVXQKVSWUGBT-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001401917132 976002081 /nfs/dbraw/zinc/00/20/81/976002081.db2.gz KRNWKKHZMNQRKT-CABCVRRESA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001389843249 976016524 /nfs/dbraw/zinc/01/65/24/976016524.db2.gz FOZCUJNSYIKOMU-MIGQKNRLSA-N 2 0 293.455 1.611 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001398539719 976025813 /nfs/dbraw/zinc/02/58/13/976025813.db2.gz NODGRMCNADKPMU-AVGNSLFASA-N 2 0 285.407 1.456 10 0 CDAERP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+](C/C=C\Cl)C1 ZINC001402124672 976134709 /nfs/dbraw/zinc/13/47/09/976134709.db2.gz FQVACJFXSKPDOU-LLPBQKLSSA-N 2 0 273.808 1.271 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CC[NH+](CCC2CC2)C1 ZINC001402178177 976162843 /nfs/dbraw/zinc/16/28/43/976162843.db2.gz PFXHNBJXPDYRSY-HZPDHXFCSA-N 2 0 293.455 1.851 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CC(C)(C)C2)CC1 ZINC001380067143 976227306 /nfs/dbraw/zinc/22/73/06/976227306.db2.gz KLXLHZXHZVLHQG-CQSZACIVSA-N 2 0 293.455 1.755 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[NH+](CCCF)C2 ZINC001402417095 976276965 /nfs/dbraw/zinc/27/69/65/976276965.db2.gz SMIBTOOWCPUDHX-ZNMIVQPWSA-N 2 0 299.434 1.655 10 0 CDAERP CC(C)CC[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001399057556 976314390 /nfs/dbraw/zinc/31/43/90/976314390.db2.gz XDWRVHUDEOKATA-ZIAGYGMSSA-N 2 0 271.449 1.713 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@H]([NH2+]CCc2ccccc2)C1 ZINC001399188516 976381041 /nfs/dbraw/zinc/38/10/41/976381041.db2.gz ZMEPABXLJHVNJR-INIZCTEOSA-N 2 0 289.423 1.371 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]C(C)C ZINC001390674572 976430766 /nfs/dbraw/zinc/43/07/66/976430766.db2.gz QGMOWETUQYITQS-LSDHHAIUSA-N 2 0 283.460 2.000 10 0 CDAERP C[N@H+](CCCF)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001390778341 976497516 /nfs/dbraw/zinc/49/75/16/976497516.db2.gz LIFINOIUQNDUSR-KBPBESRZSA-N 2 0 285.407 1.411 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)CC1CCC1 ZINC001390826697 976542528 /nfs/dbraw/zinc/54/25/28/976542528.db2.gz RBONKQXXEKZASF-CVEARBPZSA-N 2 0 293.455 1.851 10 0 CDAERP C[NH+](C)CCC(=O)N1CC2(C1)CC[NH+](C/C=C\Cl)CC2 ZINC001380802549 976555450 /nfs/dbraw/zinc/55/54/50/976555450.db2.gz HJWRSVGIGHMLNJ-CLTKARDFSA-N 2 0 299.846 1.615 10 0 CDAERP CC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)CC(C)C ZINC001399734453 976661651 /nfs/dbraw/zinc/66/16/51/976661651.db2.gz LGBRTJCVUPTLFD-UHFFFAOYSA-N 2 0 283.460 1.955 10 0 CDAERP CC[N@@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001381164543 976700025 /nfs/dbraw/zinc/70/00/25/976700025.db2.gz CZIHVDJOXFKHBS-ZIAGYGMSSA-N 2 0 297.443 1.086 10 0 CDAERP CC[C@H](C)C[N@H+](CCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001391172830 976742538 /nfs/dbraw/zinc/74/25/38/976742538.db2.gz BPZHVOMOMJKZCC-AWEZNQCLSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]1CC[N@H+](CCC(C)C)C1)[NH+](C)C ZINC001399959601 976777531 /nfs/dbraw/zinc/77/75/31/976777531.db2.gz YJVKCBPGFKXLTG-LSDHHAIUSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[N@H+](C)CC1CCCC1 ZINC001403169263 976778298 /nfs/dbraw/zinc/77/82/98/976778298.db2.gz NOEVBZMCKFRHGI-AWEZNQCLSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](O)C[N@H+](C)CCCN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001407901524 976825145 /nfs/dbraw/zinc/82/51/45/976825145.db2.gz QRSPHKURIDQEPY-HUUCEWRRSA-N 2 0 299.459 1.022 10 0 CDAERP C[C@@H](NC(=O)CCC[NH+]1CCCC1)[C@H](C)[NH2+]CCF ZINC001381443309 976826650 /nfs/dbraw/zinc/82/66/50/976826650.db2.gz DXKRWTGZEAUMOP-QWHCGFSZSA-N 2 0 273.396 1.315 10 0 CDAERP CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CC[NH+](C)C ZINC001408011421 976869143 /nfs/dbraw/zinc/86/91/43/976869143.db2.gz RKCWVHOLOCZVDK-MRXNPFEDSA-N 2 0 289.423 1.501 10 0 CDAERP CC[C@@H](C)C[NH+]1CC(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001391459079 976897201 /nfs/dbraw/zinc/89/72/01/976897201.db2.gz OUTUFDACXWQKOE-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP C[NH+](C)CCC(=O)NCC1C[NH+](CCc2ccccc2)C1 ZINC001391495456 976917339 /nfs/dbraw/zinc/91/73/39/976917339.db2.gz KSAYCOBQVYJEAR-UHFFFAOYSA-N 2 0 289.423 1.229 10 0 CDAERP CC[C@@H](F)C[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001381615678 976951612 /nfs/dbraw/zinc/95/16/12/976951612.db2.gz BYXKAOFSCWRRKR-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C(C)C)[NH+]3CCCC3)[C@@H]2C1 ZINC001381935213 977086509 /nfs/dbraw/zinc/08/65/09/977086509.db2.gz PLBVAYVOWOIILY-JONQDZQNSA-N 2 0 293.455 1.421 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]C/C=C\Cl ZINC001400914394 977241783 /nfs/dbraw/zinc/24/17/83/977241783.db2.gz FCDYOQIXQARFEJ-CZVUKNJHSA-N 2 0 273.808 1.175 10 0 CDAERP Cc1oncc1C[NH2+]C1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001404014906 977306657 /nfs/dbraw/zinc/30/66/57/977306657.db2.gz JEBZYONQHVSHRA-UHFFFAOYSA-N 2 0 294.399 1.014 10 0 CDAERP C[C@@H](C[NH2+]CC1CCC1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001392576662 977491930 /nfs/dbraw/zinc/49/19/30/977491930.db2.gz UBSQMILKMAUROE-ZFWWWQNUSA-N 2 0 281.444 1.755 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CCC1)C1CC1 ZINC001392776443 977593384 /nfs/dbraw/zinc/59/33/84/977593384.db2.gz ZAADAMOLCUSOQS-CABCVRRESA-N 2 0 279.428 1.365 10 0 CDAERP C[NH+](C)CCC(=O)NCC1([NH2+]Cc2ccccc2F)CC1 ZINC001392929463 977653738 /nfs/dbraw/zinc/65/37/38/977653738.db2.gz MGYNBGOYXHIWDO-UHFFFAOYSA-N 2 0 293.386 1.516 10 0 CDAERP COC[C@H](C)[NH2+]C1(CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001392963782 977663727 /nfs/dbraw/zinc/66/37/27/977663727.db2.gz JXAZKXHIFDZWNV-AWEZNQCLSA-N 2 0 297.443 1.136 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N[C@]2(C)CC[NH+](CC3CCC3)C2)C1 ZINC001393119966 977711425 /nfs/dbraw/zinc/71/14/25/977711425.db2.gz WMMYQHTZXRWLKK-WMLDXEAASA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+](C)C)C2 ZINC001393692695 977896125 /nfs/dbraw/zinc/89/61/25/977896125.db2.gz SEBJHTZSXPIXLH-MRXNPFEDSA-N 2 0 281.444 1.661 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]C/C=C\Cl ZINC001394005831 977998133 /nfs/dbraw/zinc/99/81/33/977998133.db2.gz RQGSTVSMWHPKFL-QHDQMSKJSA-N 2 0 275.824 1.562 10 0 CDAERP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCCCC[N@H+]1C[C@@H](C)O ZINC001394211870 978105744 /nfs/dbraw/zinc/10/57/44/978105744.db2.gz RISHIEHISOUDKH-CABCVRRESA-N 2 0 299.459 1.068 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC3CC3)[C@@H]2C1 ZINC001394688653 978230609 /nfs/dbraw/zinc/23/06/09/978230609.db2.gz MRVGVCNUNKWBMM-XHSDSOJGSA-N 2 0 293.455 1.565 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCOC1CCC1 ZINC001676318205 1174206800 /nfs/dbraw/zinc/20/68/00/1174206800.db2.gz IVOWZWPRBAQTGR-DZGCQCFKSA-N 2 0 297.443 1.086 10 0 CDAERP CC[NH2+]CCCOC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001570785695 1170279410 /nfs/dbraw/zinc/27/94/10/1170279410.db2.gz OXYMQOOCGAMAEQ-HNNXBMFYSA-N 2 0 297.443 1.088 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]C/C=C/Cl)C2)C1 ZINC001571192754 1170343786 /nfs/dbraw/zinc/34/37/86/1170343786.db2.gz PQGXQCINPDZAFF-JHQBDZAOSA-N 2 0 285.819 1.175 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](CCn2ccccc2=O)CC1 ZINC000586843474 342472477 /nfs/dbraw/zinc/47/24/77/342472477.db2.gz IMTLJRAQCSSCET-UHFFFAOYSA-N 2 0 291.439 1.902 10 0 CDAERP CCN(C(=O)C[NH+](C)[C@@H]1CCSC1)[C@H]1CC[N@H+](CC)C1 ZINC000617926975 342479653 /nfs/dbraw/zinc/47/96/53/342479653.db2.gz NJPBFTGNBFSANY-UONOGXRCSA-N 2 0 299.484 1.366 10 0 CDAERP CC(C)[N@H+](C)CC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000589132256 342497736 /nfs/dbraw/zinc/49/77/36/342497736.db2.gz HNBSDGMULRYHSK-UHFFFAOYSA-N 2 0 273.340 1.546 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000618560779 349485279 /nfs/dbraw/zinc/48/52/79/349485279.db2.gz OTRFPNPKQIVIQT-AWEZNQCLSA-N 2 0 284.448 1.310 10 0 CDAERP Cn1c(=O)ccc2c1CCC[C@H]2[NH2+]C1CCC(C[NH3+])CC1 ZINC000650724862 398163695 /nfs/dbraw/zinc/16/36/95/398163695.db2.gz NQSWSEAZGRNSNG-SSDMNJCBSA-N 2 0 289.423 1.870 10 0 CDAERP [NH3+]CCN1CC[NH2+][C@@H](c2cccc3cnccc32)C1 ZINC000616604123 361820450 /nfs/dbraw/zinc/82/04/50/361820450.db2.gz UYZXZXLNKSPSDE-OAHLLOKOSA-N 2 0 256.353 1.140 10 0 CDAERP COC(=O)c1ccc(CN2CC[C@H]([NH3+])C[C@@H]2C)nc1 ZINC000131937248 342069398 /nfs/dbraw/zinc/06/93/98/342069398.db2.gz WZFVQRNDIBEFQD-JQWIXIFHSA-N 2 0 263.341 1.180 10 0 CDAERP C[N@H+](CCC(=O)N1CC[NH2+]CC1)Cc1ccc(F)cc1 ZINC000053299167 365651551 /nfs/dbraw/zinc/65/15/51/365651551.db2.gz VYLGTDXVNIYREK-UHFFFAOYSA-N 2 0 279.359 1.079 10 0 CDAERP [NH3+]CCN1CC[NH2+]C[C@@H]1c1ccnc2ccccc21 ZINC000616605189 361824237 /nfs/dbraw/zinc/82/42/37/361824237.db2.gz VKNQORXOBFQGNR-OAHLLOKOSA-N 2 0 256.353 1.140 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@H+](C)C1)[NH+]1CCCCC1 ZINC000591871790 342648919 /nfs/dbraw/zinc/64/89/19/342648919.db2.gz QGOLACZUUBSMGV-CABCVRRESA-N 2 0 281.444 1.707 10 0 CDAERP [NH3+]CCCOCC[NH2+]C1CCN(c2ccccn2)CC1 ZINC000629398885 361918947 /nfs/dbraw/zinc/91/89/47/361918947.db2.gz IXBCYGCARVJYMJ-UHFFFAOYSA-N 2 0 278.400 1.005 10 0 CDAERP O[C@H]1C[NH2+]C[C@H]1C[NH2+]C1CCC(c2ccccc2)CC1 ZINC000263137303 361929834 /nfs/dbraw/zinc/92/98/34/361929834.db2.gz CBOGQTZZUQMMQG-XGHPGWEVSA-N 2 0 274.408 1.883 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCOC1CCCCC1 ZINC000234718788 536594339 /nfs/dbraw/zinc/59/43/39/536594339.db2.gz NVRRAJUOACSFGN-CYBMUJFWSA-N 2 0 258.406 1.679 10 0 CDAERP C[C@H](O)CC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000450708581 361953072 /nfs/dbraw/zinc/95/30/72/361953072.db2.gz NLRDFBIFGADAOL-HNNXBMFYSA-N 2 0 284.444 1.582 10 0 CDAERP C[C@H]([NH3+])CCC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000248840102 361969537 /nfs/dbraw/zinc/96/95/37/361969537.db2.gz FREAFGPGCMYRAD-KFWWJZLASA-N 2 0 283.460 1.988 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000588856844 342223289 /nfs/dbraw/zinc/22/32/89/342223289.db2.gz JSHZTTIYTDPYQU-AWEZNQCLSA-N 2 0 293.415 1.258 10 0 CDAERP CC(C)[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)C1CC1 ZINC000151337194 539073573 /nfs/dbraw/zinc/07/35/73/539073573.db2.gz BZPMDOILBTWXBF-GJZGRUSLSA-N 2 0 254.418 1.857 10 0 CDAERP CCSCC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000600767129 342248110 /nfs/dbraw/zinc/24/81/10/342248110.db2.gz QTMJRAZJGKYMDV-AWEZNQCLSA-N 2 0 272.458 1.830 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000620622132 342257262 /nfs/dbraw/zinc/25/72/62/342257262.db2.gz FARGLKRDHVIBKU-KBPBESRZSA-N 2 0 283.460 1.953 10 0 CDAERP COCCN1CCC[C@H]1C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000163449232 539122833 /nfs/dbraw/zinc/12/28/33/539122833.db2.gz NKPQYCKJPCCWDZ-ZBFHGGJFSA-N 2 0 283.460 1.417 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000594926623 342973253 /nfs/dbraw/zinc/97/32/53/342973253.db2.gz UUFBLEQYRUBLTE-BYNSBNAKSA-N 2 0 282.428 1.896 10 0 CDAERP CC[N@H+](C)C[C@H](O)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000312544570 362072638 /nfs/dbraw/zinc/07/26/38/362072638.db2.gz LKANYEUGUWSWGO-INIZCTEOSA-N 2 0 283.460 1.107 10 0 CDAERP CSCCC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595864782 343175912 /nfs/dbraw/zinc/17/59/12/343175912.db2.gz CJSOEZSZUBLWHR-ZDUSSCGKSA-N 2 0 258.431 1.271 10 0 CDAERP [NH3+][C@H]1CCC[C@@H]([NH2+]C[C@@H]2Cc3ccccc3CO2)C1 ZINC000629514003 362128505 /nfs/dbraw/zinc/12/85/05/362128505.db2.gz NSHFLYKABXUNQV-XHSDSOJGSA-N 2 0 260.381 1.987 10 0 CDAERP CCO[C@H](C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)C1CC1 ZINC000629519895 362138852 /nfs/dbraw/zinc/13/88/52/362138852.db2.gz SAHACBNJBWYBCX-GBJTYRQASA-N 2 0 252.402 1.861 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000629530873 362160011 /nfs/dbraw/zinc/16/00/11/362160011.db2.gz TZYBNSBFSAYDTO-OAHLLOKOSA-N 2 0 263.385 1.748 10 0 CDAERP C[NH+](C)[C@H]1CCCN(c2nc(N)[nH+]c3c2CCCC3)C1 ZINC000645154087 362174956 /nfs/dbraw/zinc/17/49/56/362174956.db2.gz LSKHGFHCBWYYPW-NSHDSACASA-N 2 0 275.400 1.298 10 0 CDAERP C[C@@H](CO)[C@H](C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000166942514 136380571 /nfs/dbraw/zinc/38/05/71/136380571.db2.gz PMMQJYWCEBMWLK-STQMWFEESA-N 2 0 263.385 1.657 10 0 CDAERP O=C(C[C@H]1[NH2+]Cc2ccccc21)NCC1=CC[NH2+]CC1 ZINC000659307528 412508472 /nfs/dbraw/zinc/50/84/72/412508472.db2.gz OQJRACZJPFCROR-OAHLLOKOSA-N 2 0 271.364 1.257 10 0 CDAERP CSC[C@@](C)(O)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000598966684 343930981 /nfs/dbraw/zinc/93/09/81/343930981.db2.gz YFUVRSYJADSKHK-YPMHNXCESA-N 2 0 260.447 1.563 10 0 CDAERP CCN(CC)C(=O)CN1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000316208321 362292451 /nfs/dbraw/zinc/29/24/51/362292451.db2.gz XTWSWKPZLHQHDS-AVGNSLFASA-N 2 0 255.406 1.303 10 0 CDAERP C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@@H]3C[NH2+]C[C@H]3O)CC2)C1 ZINC000263213549 362269691 /nfs/dbraw/zinc/26/96/91/362269691.db2.gz KNAVRFHGILBMKP-YQFWSFKMSA-N 2 0 295.471 1.199 10 0 CDAERP COc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cn1 ZINC000311612192 362310631 /nfs/dbraw/zinc/31/06/31/362310631.db2.gz FVQWYWXMPOIJQZ-OKILXGFUSA-N 2 0 261.369 1.522 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC000552844289 290083184 /nfs/dbraw/zinc/08/31/84/290083184.db2.gz UHKBFAYISOIXDT-STQMWFEESA-N 2 0 295.452 1.809 10 0 CDAERP CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000571389069 362486651 /nfs/dbraw/zinc/48/66/51/362486651.db2.gz TTWHAEMFBYTDLR-HZPDHXFCSA-N 2 0 298.471 1.608 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CNC(=O)CC1([NH3+])CCCCC1 ZINC000084185396 178819194 /nfs/dbraw/zinc/81/91/94/178819194.db2.gz JSLBANPUCVVPBN-CYBMUJFWSA-N 2 0 267.417 1.639 10 0 CDAERP C[C@H](C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O)c1ccc(F)cc1 ZINC000263286959 362568148 /nfs/dbraw/zinc/56/81/48/362568148.db2.gz VDKVGQICCSXCLO-OSMZGAPFSA-N 2 0 252.333 1.099 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000566206320 370646385 /nfs/dbraw/zinc/64/63/85/370646385.db2.gz XMAYKAHZMCADIA-LSDHHAIUSA-N 2 0 281.444 1.838 10 0 CDAERP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)[C@@H]1CCCCO1 ZINC000623891569 345655959 /nfs/dbraw/zinc/65/59/59/345655959.db2.gz PIUNSBDQQUFXDH-XHSDSOJGSA-N 2 0 284.444 1.771 10 0 CDAERP CCN(C(=O)C[NH+]1[C@H](C)CC[C@H]1C)[C@H]1CC[N@H+](C)C1 ZINC000617554692 345850664 /nfs/dbraw/zinc/85/06/64/345850664.db2.gz HWOJTCVFVJROIM-MCIONIFRSA-N 2 0 267.417 1.412 10 0 CDAERP COCC[N@H+](C)CCCN[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000623357059 346085455 /nfs/dbraw/zinc/08/54/55/346085455.db2.gz YCQPNYBYEUEFQL-CQSZACIVSA-N 2 0 271.449 1.417 10 0 CDAERP OCCN1CCC[C@@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC000384666989 346063952 /nfs/dbraw/zinc/06/39/52/346063952.db2.gz CHHARFACZWQDKE-LWAXHKBTSA-N 2 0 260.381 1.746 10 0 CDAERP C[C@@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)CN1CC[NH+](C)CC1 ZINC000623402281 346165977 /nfs/dbraw/zinc/16/59/77/346165977.db2.gz FEUQOOCYDAYUKR-HOTGVXAUSA-N 3 0 296.503 1.332 10 0 CDAERP Cn1cc(CCC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cn1 ZINC000623396026 346153757 /nfs/dbraw/zinc/15/37/57/346153757.db2.gz GSHCAJIELQVZJI-AWEZNQCLSA-N 2 0 264.417 1.815 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CCCC[NH+]2CCC[C@H]2CO)CC1(C)C ZINC000623412549 346252914 /nfs/dbraw/zinc/25/29/14/346252914.db2.gz PTRBTLDUGLYMFI-CVEARBPZSA-N 3 0 297.487 1.686 10 0 CDAERP CC(C)CC[NH+]1CCN(C(=O)[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000085369274 179039180 /nfs/dbraw/zinc/03/91/80/179039180.db2.gz JTJMIZIWWJUOGT-ZIAGYGMSSA-N 2 0 267.417 1.304 10 0 CDAERP CC(C)CC[NH+]1CCN(C(=O)[C@H]2CCC[C@H]2[NH3+])CC1 ZINC000085369275 179039292 /nfs/dbraw/zinc/03/92/92/179039292.db2.gz JTJMIZIWWJUOGT-UONOGXRCSA-N 2 0 267.417 1.304 10 0 CDAERP [NH3+][C@H]1CCCC[C@H]1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000085369806 179039532 /nfs/dbraw/zinc/03/95/32/179039532.db2.gz KRDWVOQWVMMQPQ-CABCVRRESA-N 2 0 279.428 1.591 10 0 CDAERP C[C@H]([NH2+]C[C@H]1CCCCN1CCO)[C@H]1CCCOC1 ZINC000449396875 362691508 /nfs/dbraw/zinc/69/15/08/362691508.db2.gz MXSAYOJEJMDJPT-SOUVJXGZSA-N 2 0 270.417 1.238 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000085374290 179043262 /nfs/dbraw/zinc/04/32/62/179043262.db2.gz AYRFGJRZSQPUEW-UPJWGTAASA-N 2 0 253.390 1.057 10 0 CDAERP COCC1(c2nc([C@H]([NH3+])CC(C)C)no2)CC[NH2+]CC1 ZINC000571561081 362682683 /nfs/dbraw/zinc/68/26/83/362682683.db2.gz SLHKBTGMJVORST-LLVKDONJSA-N 2 0 282.388 1.383 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)nc2)C1 ZINC000619903665 349958297 /nfs/dbraw/zinc/95/82/97/349958297.db2.gz FZFFIUQHLBHJGG-HNNXBMFYSA-N 2 0 290.411 1.357 10 0 CDAERP CCc1nc2c(n1C[C@@H]1CCCC[N@@H+]1C)CC[NH2+]C2 ZINC000085572813 179097916 /nfs/dbraw/zinc/09/79/16/179097916.db2.gz UWJAEFQPAPPSSZ-LBPRGKRZSA-N 2 0 262.401 1.576 10 0 CDAERP CCCc1nc2c(n1CC[N@H+](C)C(C)C)CC[NH2+]C2 ZINC000085570933 179096047 /nfs/dbraw/zinc/09/60/47/179096047.db2.gz ALZXXNRWCRJVBO-UHFFFAOYSA-N 2 0 264.417 1.822 10 0 CDAERP CC(C)(C)c1nc2c(n1CC[NH+]1CCCC1)CC[NH2+]C2 ZINC000085570946 179096178 /nfs/dbraw/zinc/09/61/78/179096178.db2.gz QSCJAFYWCXAZQI-UHFFFAOYSA-N 2 0 276.428 1.922 10 0 CDAERP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085628646 179107107 /nfs/dbraw/zinc/10/71/07/179107107.db2.gz OJDYOXWFZJMCFQ-XQQFMLRXSA-N 2 0 254.418 1.977 10 0 CDAERP C[NH+](C)CCCCn1c2c(nc1C(F)(F)F)C[NH2+]CC2 ZINC000085572979 179098249 /nfs/dbraw/zinc/09/82/49/179098249.db2.gz FDCFSDVCOCVPHG-UHFFFAOYSA-N 2 0 290.333 1.889 10 0 CDAERP CC(C)[C@H]1C[N@H+](CCCn2ccnc2)CCC[NH2+]1 ZINC000085608156 179101951 /nfs/dbraw/zinc/10/19/51/179101951.db2.gz FCRVMYZNGBTDGR-CQSZACIVSA-N 2 0 250.390 1.593 10 0 CDAERP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000085630993 179108000 /nfs/dbraw/zinc/10/80/00/179108000.db2.gz QHRACFIATWKKSY-KKUMJFAQSA-N 2 0 295.471 1.416 10 0 CDAERP C[C@@H]1C[C@@H](N[C@H]2CC[NH+](C)C(C)(C)C2)CC[N@@H+]1C ZINC000623430426 346616243 /nfs/dbraw/zinc/61/62/43/346616243.db2.gz PFACQYDJTZDPME-RDBSUJKOSA-N 2 0 253.434 1.932 10 0 CDAERP C[NH+](C)C1CCN(c2ccc(F)cc2CC[NH3+])CC1 ZINC000104278083 136554132 /nfs/dbraw/zinc/55/41/32/136554132.db2.gz QRWKJNAEIVYZIR-UHFFFAOYSA-N 2 0 265.376 1.857 10 0 CDAERP c1cnn(CCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000126305089 136708159 /nfs/dbraw/zinc/70/81/59/136708159.db2.gz BGKYGSXTKLJALZ-UHFFFAOYSA-N 2 0 285.395 1.927 10 0 CDAERP CCC[NH2+][C@H](CCO)CN1CC[NH+](C(C)(C)C)CC1 ZINC000085922082 179200220 /nfs/dbraw/zinc/20/02/20/179200220.db2.gz LLIDLVLSZQQHBG-CQSZACIVSA-N 2 0 271.449 1.153 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000417285479 482578083 /nfs/dbraw/zinc/57/80/83/482578083.db2.gz HKEILUHQQJCMCZ-AGIUHOORSA-N 2 0 270.421 1.014 10 0 CDAERP Cc1cnn(CCN2CCC[C@@H]([NH2+]C(C)C)C2)c1 ZINC000224515209 347410788 /nfs/dbraw/zinc/41/07/88/347410788.db2.gz HWTALNLWYUDIJP-CQSZACIVSA-N 2 0 250.390 1.654 10 0 CDAERP CC(C)[C@@H]1C[NH2+][C@@H](C(C)C)CN1C[C@@H]1C[N@H+](C)CCN1C ZINC000086175924 179246837 /nfs/dbraw/zinc/24/68/37/179246837.db2.gz PKYGLMWBORKMGU-BBWFWOEESA-N 2 0 296.503 1.187 10 0 CDAERP CCC1(CC)CN(C2CC[NH+](C)CC2)[C@H](C)C[NH2+]1 ZINC000086217835 179249719 /nfs/dbraw/zinc/24/97/19/179249719.db2.gz NCYVKQZCZRSENV-CYBMUJFWSA-N 2 0 253.434 1.933 10 0 CDAERP CC[C@H]1C[NH2+][C@H](C2CC2)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086223961 179252962 /nfs/dbraw/zinc/25/29/62/179252962.db2.gz JWPAUVKIXQURCF-ZNMIVQPWSA-N 2 0 251.418 1.543 10 0 CDAERP C[C@@H]1C[NH2+][C@H](C2CC2)CN1C[C@@H]1CCCC[N@@H+]1C ZINC000086259367 179258491 /nfs/dbraw/zinc/25/84/91/179258491.db2.gz AIQCKLDTLDYWQT-SNPRPXQTSA-N 2 0 251.418 1.543 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CCN(CC(F)F)C2)CC1(C)C ZINC000623552589 347628522 /nfs/dbraw/zinc/62/85/22/347628522.db2.gz MEHKOTRAQQGCQK-NEPJUHHUSA-N 2 0 275.387 1.788 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+][C@@H](CO)CC(F)F)CC1(C)C ZINC000623507432 347608650 /nfs/dbraw/zinc/60/86/50/347608650.db2.gz JLSDCCMLMKHYDF-NXEZZACHSA-N 2 0 250.333 1.465 10 0 CDAERP CCCC[N@H+](C)CC1CC[NH+](C[C@]2(O)CCCOC2)CC1 ZINC000659846839 412550488 /nfs/dbraw/zinc/55/04/88/412550488.db2.gz JEFFAIJQGLYXQH-QGZVFWFLSA-N 2 0 298.471 1.972 10 0 CDAERP CC[C@@H]1CN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)C[C@H](C)[NH2+]1 ZINC000620904485 350374099 /nfs/dbraw/zinc/37/40/99/350374099.db2.gz OBIKGMWJFPCPIJ-VYDRJRHOSA-N 2 0 281.444 1.847 10 0 CDAERP CO[C@H](C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000659850528 412553196 /nfs/dbraw/zinc/55/31/96/412553196.db2.gz RZNVJWWGIRBWKE-QLFBSQMISA-N 2 0 252.402 1.733 10 0 CDAERP CC[C@H]([NH2+]CCOCCC[NH3+])c1ccc(F)cn1 ZINC000629535032 362959046 /nfs/dbraw/zinc/95/90/46/362959046.db2.gz BKWPFLUZIPCXDR-LBPRGKRZSA-N 2 0 255.337 1.627 10 0 CDAERP COc1cccc2c1CC[C@H]2[NH2+]CCOCCC[NH3+] ZINC000629541912 362966708 /nfs/dbraw/zinc/96/67/08/362966708.db2.gz TYYNMGWTTCOHOX-CQSZACIVSA-N 2 0 264.369 1.638 10 0 CDAERP CC[C@@H]([NH2+]CCOCCC[NH3+])c1ccc2c(c1)OCCO2 ZINC000629542291 362966759 /nfs/dbraw/zinc/96/67/59/362966759.db2.gz XXGAENOBBNVAIB-CQSZACIVSA-N 2 0 294.395 1.864 10 0 CDAERP CCOc1cncc(C[NH2+]CCCC[NH+]2CCOCC2)c1 ZINC000621328788 350546760 /nfs/dbraw/zinc/54/67/60/350546760.db2.gz DBMZRSXMNVLEPB-UHFFFAOYSA-N 2 0 293.411 1.682 10 0 CDAERP C1CC1[C@H]1C[C@H]([NH2+][C@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CO1 ZINC000629545898 362972834 /nfs/dbraw/zinc/97/28/34/362972834.db2.gz DAFKKUKBHDIJCV-UVPYHEFZSA-N 2 0 280.412 1.301 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000629546341 362972914 /nfs/dbraw/zinc/97/29/14/362972914.db2.gz OYGUOMYVRDZIII-BTFPBAQTSA-N 2 0 252.402 1.922 10 0 CDAERP O=C(CC[C@@H]1CCC[NH2+]C1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000621642153 350687299 /nfs/dbraw/zinc/68/72/99/350687299.db2.gz GFICPNARPSRQNE-XHSDSOJGSA-N 2 0 293.455 1.757 10 0 CDAERP C(C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)OC1CCOCC1 ZINC000629547576 362975486 /nfs/dbraw/zinc/97/54/86/362975486.db2.gz UNCWLAOCPNHFTA-MRXNPFEDSA-N 2 0 296.455 1.894 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)CC[C@@H]2CCC[NH2+]C2)CC[N@@H+]1C ZINC000621651094 350689885 /nfs/dbraw/zinc/68/98/85/350689885.db2.gz HDYBOPAJSXVLMT-QLFBSQMISA-N 2 0 281.444 1.707 10 0 CDAERP CCn1cc(CC[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cn1 ZINC000621776621 350772788 /nfs/dbraw/zinc/77/27/88/350772788.db2.gz QBSLZESJVXPJHK-OAHLLOKOSA-N 2 0 262.401 1.521 10 0 CDAERP COC1CCC(C[NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000629568247 363019187 /nfs/dbraw/zinc/01/91/87/363019187.db2.gz PDLAHLAEPYQFEJ-SLTAFYQDSA-N 2 0 270.417 1.238 10 0 CDAERP CCC(=O)N1CCC([NH2+]C[C@@H]2CCCN2C)CC1 ZINC000623785661 351276846 /nfs/dbraw/zinc/27/68/46/351276846.db2.gz BMAAINJJIPGQQF-ZDUSSCGKSA-N 2 0 253.390 1.071 10 0 CDAERP O[C@@H](C[NH2+]C1CCC(OC(F)F)CC1)C[NH+]1CCCC1 ZINC000629580517 363037255 /nfs/dbraw/zinc/03/72/55/363037255.db2.gz UAPPTOKUZGUHGY-CPCZMJQVSA-N 2 0 292.370 1.583 10 0 CDAERP CCNC(=O)C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000151110910 363055751 /nfs/dbraw/zinc/05/57/51/363055751.db2.gz NBEMBHDSIVCQLZ-ZDUSSCGKSA-N 2 0 276.384 1.260 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000333783553 363149842 /nfs/dbraw/zinc/14/98/42/363149842.db2.gz LHMPZEORLODVOC-SNPRPXQTSA-N 2 0 294.443 1.301 10 0 CDAERP C[C@H](COCc1ccccc1)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000390647008 363143059 /nfs/dbraw/zinc/14/30/59/363143059.db2.gz QZLIEMGDHPTBTD-WBVHZDCISA-N 2 0 292.423 1.638 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@H](CO)C1CCCCC1 ZINC000395317121 323849113 /nfs/dbraw/zinc/84/91/13/323849113.db2.gz JQEUZEVPSZPEAJ-ZIAGYGMSSA-N 2 0 258.406 1.271 10 0 CDAERP [NH3+][C@@H]1CC[C@@H]2CN(c3cc(N4CCCCC4)ncn3)C[C@@H]12 ZINC000333931158 363232130 /nfs/dbraw/zinc/23/21/30/363232130.db2.gz ZUCZALGYHXFPRP-MGPQQGTHSA-N 2 0 287.411 1.640 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)CC[NH2+]1 ZINC000262372441 291042358 /nfs/dbraw/zinc/04/23/58/291042358.db2.gz KEBFZQCZRGCIJT-JYJNAYRXSA-N 2 0 293.455 1.709 10 0 CDAERP C[N@@H+]1CC[C@@]2(CCN(C(=O)CC[C@@H]3CCCC[NH+]3C)C2)C1 ZINC000334634363 283102537 /nfs/dbraw/zinc/10/25/37/283102537.db2.gz MOCIRKCUUUZIJO-DOTOQJQBSA-N 2 0 293.455 1.805 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2(CCO)CC2)[C@H]2CCC[C@@H]21 ZINC000367614475 283134068 /nfs/dbraw/zinc/13/40/68/283134068.db2.gz IGCSAQWFOJHNKK-RDBSUJKOSA-N 2 0 252.402 1.611 10 0 CDAERP C[N@@H+]1CC[C@H](NC[C@@H]2CC[NH+](C3CC3)C2)[C@H]2CCC[C@@H]21 ZINC000353462857 283138096 /nfs/dbraw/zinc/13/80/96/283138096.db2.gz PPTRYJVJHGDWHI-ORQFMDKSSA-N 2 0 277.456 1.933 10 0 CDAERP C[C@H](C(=O)N1CC[NH+]2CCC1CC2)[NH+]1CCCCCC1 ZINC000336346875 356149365 /nfs/dbraw/zinc/14/93/65/356149365.db2.gz LCQMFQCPMRRCRZ-CQSZACIVSA-N 2 0 279.428 1.558 10 0 CDAERP CN(Cc1ccc2c(c1)C[NH2+]CC2)C[C@@H]1CCC[N@@H+]1C ZINC000211969462 356582116 /nfs/dbraw/zinc/58/21/16/356582116.db2.gz JQHACMXZCAWVJA-KRWDZBQOSA-N 2 0 273.424 1.858 10 0 CDAERP O=C(CC1CC[NH2+]CC1)NCCC[NH2+]Cc1cccnc1 ZINC000238136695 356799379 /nfs/dbraw/zinc/79/93/79/356799379.db2.gz OGKUJHDFDOOPEV-UHFFFAOYSA-N 2 0 290.411 1.067 10 0 CDAERP COc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070074295 356836732 /nfs/dbraw/zinc/83/67/32/356836732.db2.gz BLAFVOIHAIHZQF-CYBMUJFWSA-N 2 0 291.395 1.695 10 0 CDAERP C[NH+]1CCC(N(CCC[NH3+])C(=O)OC(C)(C)C)CC1 ZINC000058040350 357374755 /nfs/dbraw/zinc/37/47/55/357374755.db2.gz VIDSUORMNQIYNA-UHFFFAOYSA-N 2 0 271.405 1.667 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000581259339 358165917 /nfs/dbraw/zinc/16/59/17/358165917.db2.gz HGNTZMPGAUEUJO-OAHLLOKOSA-N 2 0 293.455 1.663 10 0 CDAERP Cc1ncc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)o1 ZINC000628133953 358203328 /nfs/dbraw/zinc/20/33/28/358203328.db2.gz XGUXJSLCJNDPNR-UHFFFAOYSA-N 2 0 279.384 1.527 10 0 CDAERP C[C@H]([NH2+]C1CC1)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000566185484 358314223 /nfs/dbraw/zinc/31/42/23/358314223.db2.gz LKVLSUQYFGZWTB-MDZLAQPJSA-N 2 0 253.390 1.068 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)Cc2cnc3cnccn23)[C@H](C)C1 ZINC000093638802 358619979 /nfs/dbraw/zinc/61/99/79/358619979.db2.gz VGWKTWAUTGJKKS-UKRRQHHQSA-N 2 0 287.411 1.891 10 0 CDAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1sccc1F ZINC000559580770 359046386 /nfs/dbraw/zinc/04/63/86/359046386.db2.gz ACQXJTGMDSPZSB-UHFFFAOYSA-N 2 0 287.404 1.453 10 0 CDAERP C[C@]1(C[N@@H+]2CCC[C@H](OCC3CC3)C2)CC[NH2+]C1 ZINC000261974122 359110615 /nfs/dbraw/zinc/11/06/15/359110615.db2.gz INNRAZJQONZZRI-GJZGRUSLSA-N 2 0 252.402 1.877 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC[NH2+]1 ZINC000262341373 359162888 /nfs/dbraw/zinc/16/28/88/359162888.db2.gz GGIRGZJDXCMMAY-BYNSBNAKSA-N 2 0 279.428 1.317 10 0 CDAERP CCC[C@](C)([NH3+])C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000037826191 359234617 /nfs/dbraw/zinc/23/46/17/359234617.db2.gz BONBZGMSDDBYHL-INIZCTEOSA-N 2 0 281.444 1.838 10 0 CDAERP CC[C@@H]1C[N@H+](CC)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC000456392339 363646723 /nfs/dbraw/zinc/64/67/23/363646723.db2.gz XCXXNHNAPWVSPB-OAHLLOKOSA-N 2 0 281.444 1.661 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CC1CC[NH+](C)CC1 ZINC000347513366 359406004 /nfs/dbraw/zinc/40/60/04/359406004.db2.gz DJUWYQRLWYFTQT-CABCVRRESA-N 2 0 295.471 1.955 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000297040171 200069682 /nfs/dbraw/zinc/06/96/82/200069682.db2.gz CBSPRNVECUGOQR-CYBMUJFWSA-N 2 0 258.325 1.045 10 0 CDAERP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCN1CCCC1=O ZINC000422774978 359656844 /nfs/dbraw/zinc/65/68/44/359656844.db2.gz ZGFQDZGYSUTSGS-GJZGRUSLSA-N 2 0 281.444 1.899 10 0 CDAERP CC(C)c1noc(CCC[NH2+][C@@H]2CNCC[C@H]2C)n1 ZINC000422936941 359685593 /nfs/dbraw/zinc/68/55/93/359685593.db2.gz NGXIRQFPGNMYJS-VXGBXAGGSA-N 2 0 266.389 1.713 10 0 CDAERP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccncc1 ZINC000423503200 359826592 /nfs/dbraw/zinc/82/65/92/359826592.db2.gz FSRZFPAYPQPLLA-ODIFPOPNSA-N 2 0 288.439 1.949 10 0 CDAERP NC[C@@H]1c2ccccc2CC[N@H+]1CC1CC[NH2+]CC1 ZINC000335448760 360196138 /nfs/dbraw/zinc/19/61/38/360196138.db2.gz RUVKXHQMPPFMSH-MRXNPFEDSA-N 2 0 259.397 1.544 10 0 CDAERP Cc1cccc(CCN2CC[C@]3(CC[N@@H+](C)C3)C2)n1 ZINC000335364625 360161297 /nfs/dbraw/zinc/16/12/97/360161297.db2.gz CIFNGTPJMVCDSF-INIZCTEOSA-N 2 0 259.397 1.960 10 0 CDAERP Fc1ccc([C@H]([NH2+]CC[C@H]2CC[NH2+]C2)c2cnn[nH]2)cc1 ZINC000514930506 360404069 /nfs/dbraw/zinc/40/40/69/360404069.db2.gz MJMNZIPLQXYXOI-ABAIWWIYSA-N 2 0 289.358 1.622 10 0 CDAERP c1cc([C@@H]2C[NH2+]CCO2)ccc1NCC12CC(C1)C[NH2+]2 ZINC000634996140 360625028 /nfs/dbraw/zinc/62/50/28/360625028.db2.gz AMBKKGVPRGWEAR-NRAUKZCXSA-N 2 0 273.380 1.511 10 0 CDAERP CC(=O)Nc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000634998407 360635023 /nfs/dbraw/zinc/63/50/23/360635023.db2.gz FHIFQKUYYZAKRF-BXUZGUMPSA-N 2 0 261.369 1.672 10 0 CDAERP C(CN1CC[N@@H+]2CCCC[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000227374869 360811766 /nfs/dbraw/zinc/81/17/66/360811766.db2.gz AVEBJEYBPVCQML-LSDHHAIUSA-N 2 0 251.418 1.546 10 0 CDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cccn2C)CC1 ZINC000179517793 189198677 /nfs/dbraw/zinc/19/86/77/189198677.db2.gz QISQRFXCCUFDSR-AWEZNQCLSA-N 2 0 279.428 1.550 10 0 CDAERP COc1cc(C[C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)ccn1 ZINC000639313254 361056408 /nfs/dbraw/zinc/05/64/08/361056408.db2.gz VGDMOOFIJMYHPJ-AEGPPILISA-N 2 0 277.412 1.951 10 0 CDAERP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1cccc(-n2cnnn2)c1 ZINC000643524786 361070091 /nfs/dbraw/zinc/07/00/91/361070091.db2.gz HXUADJCJEKEYRL-HUBLWGQQSA-N 2 0 286.383 1.311 10 0 CDAERP c1c(CNC2CC[NH+]([C@@H]3CCOC3)CC2)onc1C1CC1 ZINC000639329218 361134696 /nfs/dbraw/zinc/13/46/96/361134696.db2.gz VTIACLCETMCDGB-CQSZACIVSA-N 2 0 291.395 1.895 10 0 CDAERP CCC[C@H]1CN(C(=O)CC[C@@H](C)[NH3+])CC[N@@H+]1CCOC ZINC000566295594 370674981 /nfs/dbraw/zinc/67/49/81/370674981.db2.gz SEFQKSJHAPGMIY-KGLIPLIRSA-N 2 0 285.432 1.073 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)[C@@H]2CCC[C@H]21 ZINC000566348031 370690094 /nfs/dbraw/zinc/69/00/94/370690094.db2.gz KHCBTMUYQFOTIJ-QCEMKRCNSA-N 2 0 291.439 1.460 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2conc2C)CC1 ZINC000339182551 361335911 /nfs/dbraw/zinc/33/59/11/361335911.db2.gz JPIWLESWTBFHKF-GFCCVEGCSA-N 2 0 266.389 1.099 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)[C@@H](C)[NH2+]C)CC1 ZINC000054075559 361341262 /nfs/dbraw/zinc/34/12/62/361341262.db2.gz YBXNTGDSVVLROL-GFCCVEGCSA-N 2 0 255.406 1.175 10 0 CDAERP CCOC(=O)COCC[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000351519170 361733202 /nfs/dbraw/zinc/73/32/02/361733202.db2.gz NQCKRGTXASTQFZ-KGLIPLIRSA-N 2 0 286.416 1.371 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)C[NH+](C)C1CCC1 ZINC000629948273 364223483 /nfs/dbraw/zinc/22/34/83/364223483.db2.gz DKUGYVVNHBCSQM-ZDUSSCGKSA-N 2 0 267.417 1.461 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000357239437 366854421 /nfs/dbraw/zinc/85/44/21/366854421.db2.gz JSCMIBMTNUIHRV-UONOGXRCSA-N 2 0 267.417 1.317 10 0 CDAERP Cn1cccc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000161667204 364528260 /nfs/dbraw/zinc/52/82/60/364528260.db2.gz IGEJJVJJKHUUES-UHFFFAOYSA-N 2 0 251.374 1.227 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCN1CCN(c2cccnn2)CC1 ZINC000162888378 364667906 /nfs/dbraw/zinc/66/79/06/364667906.db2.gz UIKBQJDBRVHWPM-CQSZACIVSA-N 2 0 275.400 1.083 10 0 CDAERP CC[C@@H](Cn1cncn1)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000353382681 365172554 /nfs/dbraw/zinc/17/25/54/365172554.db2.gz IMXZZFJKLAAQNI-INIZCTEOSA-N 2 0 287.411 1.908 10 0 CDAERP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)[C@H]1C[C@H]1C ZINC000414125181 241079106 /nfs/dbraw/zinc/07/91/06/241079106.db2.gz CUZLWKZBSREXFR-MCIONIFRSA-N 2 0 253.434 1.647 10 0 CDAERP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)[C@H]1C[C@H]1C ZINC000414065367 241050686 /nfs/dbraw/zinc/05/06/86/241050686.db2.gz OILQRQJDPLWRSY-NFAWXSAZSA-N 2 0 253.434 1.647 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)C[NH2+]1 ZINC000626973158 367115764 /nfs/dbraw/zinc/11/57/64/367115764.db2.gz RKZCOURIRPJPBA-APIJFGDWSA-N 2 0 296.459 1.689 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000626972481 367110267 /nfs/dbraw/zinc/11/02/67/367110267.db2.gz GTDYERGTYBTJGU-LJISPDSOSA-N 2 0 296.459 1.689 10 0 CDAERP CN(C)c1ccncc1C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000293891099 370843986 /nfs/dbraw/zinc/84/39/86/370843986.db2.gz MWURFWIINQTACW-INIZCTEOSA-N 2 0 288.395 1.315 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627038130 367282105 /nfs/dbraw/zinc/28/21/05/367282105.db2.gz HUQBXUGKNCFTSG-STQMWFEESA-N 2 0 282.432 1.299 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)NCC2([NH3+])CCCCC2)C[NH2+]1 ZINC000627068202 367338070 /nfs/dbraw/zinc/33/80/70/367338070.db2.gz KHIQEQRVUIIJBB-NEPJUHHUSA-N 2 0 268.405 1.088 10 0 CDAERP C[C@H]1CC[C@H](NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)C[NH2+]1 ZINC000627091933 367425788 /nfs/dbraw/zinc/42/57/88/367425788.db2.gz FEBPSMLQRJKCAC-XUXIUFHCSA-N 2 0 282.432 1.191 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)NCC[NH+]1CC=C(C)CC1 ZINC000358186735 367498535 /nfs/dbraw/zinc/49/85/35/367498535.db2.gz JNYRDGOTYAOWCQ-UHFFFAOYSA-N 2 0 296.459 1.670 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627134477 367551777 /nfs/dbraw/zinc/55/17/77/367551777.db2.gz YNOOKBIHRJXUIT-CQSZACIVSA-N 2 0 296.459 1.500 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000627165622 367598016 /nfs/dbraw/zinc/59/80/16/367598016.db2.gz BCDCXAZWMHFJLY-APIJFGDWSA-N 2 0 296.459 1.641 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000627159772 367588579 /nfs/dbraw/zinc/58/85/79/367588579.db2.gz UFYMBPGPXAQTGB-WUHRBBMRSA-N 2 0 268.405 1.038 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCCC[NH+]1CCCCC1 ZINC000416872572 242201047 /nfs/dbraw/zinc/20/10/47/242201047.db2.gz MAYKXRZZFZZHHI-ZIAGYGMSSA-N 2 0 282.432 1.160 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627203004 367699006 /nfs/dbraw/zinc/69/90/06/367699006.db2.gz LHTZFRFRWRJFFS-OLZOCXBDSA-N 2 0 270.421 1.110 10 0 CDAERP CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627237422 367799948 /nfs/dbraw/zinc/79/99/48/367799948.db2.gz NFVHSZNXEOYASP-LSDHHAIUSA-N 2 0 298.475 1.746 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCCNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638054169 367837558 /nfs/dbraw/zinc/83/75/58/367837558.db2.gz CVKYVSPFXUKWNO-JSGCOSHPSA-N 2 0 265.401 1.415 10 0 CDAERP CCCC[C@@H](C[NH3+])NC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418453176 243096113 /nfs/dbraw/zinc/09/61/13/243096113.db2.gz OXEKZSSKWQTJLN-KBPBESRZSA-N 2 0 278.400 1.503 10 0 CDAERP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CC1=O ZINC000539261865 368410895 /nfs/dbraw/zinc/41/08/95/368410895.db2.gz YCHHRJDGAGNFCY-WQVCFCJDSA-N 2 0 291.439 1.460 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)C[C@@H]1C ZINC000418619878 243284437 /nfs/dbraw/zinc/28/44/37/243284437.db2.gz PQUANKIXAUCEML-CBBWQLFWSA-N 2 0 296.459 1.499 10 0 CDAERP CCCN(CC[NH+](CC)CC)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000418624683 243289696 /nfs/dbraw/zinc/28/96/96/243289696.db2.gz ZOJMKMYYDDENFI-CABCVRRESA-N 2 0 298.475 1.748 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)N2CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000367616174 369199854 /nfs/dbraw/zinc/19/98/54/369199854.db2.gz LJOWJOSYWKGGSA-JYJNAYRXSA-N 2 0 295.471 1.560 10 0 CDAERP [NH3+][C@H](c1cn(C[C@H]2CCC[NH2+]2)nn1)c1ccc(Cl)cc1 ZINC000630606126 369388178 /nfs/dbraw/zinc/38/81/78/369388178.db2.gz UDDQUGWUGKPGDL-OCCSQVGLSA-N 2 0 291.786 1.732 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000368238556 369406959 /nfs/dbraw/zinc/40/69/59/369406959.db2.gz BOEGUJZYLJHVTA-IUODEOHRSA-N 2 0 285.407 1.409 10 0 CDAERP C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000414946911 370957741 /nfs/dbraw/zinc/95/77/41/370957741.db2.gz UYSZDWVCAKVUKL-RRFJBIMHSA-N 2 0 281.444 1.755 10 0 CDAERP CCCn1cc(C[NH2+]CC2(C)CC[NH2+]CC2)cn1 ZINC000414903297 369604569 /nfs/dbraw/zinc/60/45/69/369604569.db2.gz LRIKKHYFDKXJOM-UHFFFAOYSA-N 2 0 250.390 1.772 10 0 CDAERP C[C@H](CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCC[NH2+]C1 ZINC000248035523 370102763 /nfs/dbraw/zinc/10/27/63/370102763.db2.gz RJVZZXUQQBYKCG-QLFBSQMISA-N 2 0 279.428 1.319 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]CC2(O)Cc3ccccc3C2)[C@@H](C)C1 ZINC000370620796 370106971 /nfs/dbraw/zinc/10/69/71/370106971.db2.gz XSISVFSFXPEXRH-YOEHRIQHSA-N 2 0 288.435 1.836 10 0 CDAERP COC[C@@H](C)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000249946894 370189313 /nfs/dbraw/zinc/18/93/13/370189313.db2.gz UOXAGZZLNLGLPK-KBPBESRZSA-N 2 0 272.433 1.294 10 0 CDAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCC1([NH3+])CCCCCC1 ZINC000418282006 370449621 /nfs/dbraw/zinc/44/96/21/370449621.db2.gz GGHFUCSBWXWQCW-QWHCGFSZSA-N 2 0 282.432 1.335 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000422745225 245205602 /nfs/dbraw/zinc/20/56/02/245205602.db2.gz UVNYAOZCKUGLPJ-HIFRSBDPSA-N 2 0 250.386 1.697 10 0 CDAERP C[C@H](F)CC[NH2+]C1CCN(CCN2CCOCC2)CC1 ZINC000340464378 371064266 /nfs/dbraw/zinc/06/42/66/371064266.db2.gz UEUOGSGMNDPLCY-AWEZNQCLSA-N 2 0 287.423 1.121 10 0 CDAERP C[C@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1)C1C[NH2+]C1 ZINC000422867810 245354434 /nfs/dbraw/zinc/35/44/34/245354434.db2.gz TTYNBDNYTTZYNS-CMPLNLGQSA-N 2 0 281.350 1.741 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCN1[C@H](C)CCC[C@@H]1C ZINC000422888917 245373514 /nfs/dbraw/zinc/37/35/14/245373514.db2.gz OGVXMUIYIMCRRB-ZNMIVQPWSA-N 2 0 271.449 1.593 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)COC1CCC([NH3+])CC1 ZINC000573327331 371503071 /nfs/dbraw/zinc/50/30/71/371503071.db2.gz FRZUUVAXNUPBSE-UHFFFAOYSA-N 2 0 285.432 1.073 10 0 CDAERP FC1(F)CC[NH2+]C[C@@H]1N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000414996285 371813072 /nfs/dbraw/zinc/81/30/72/371813072.db2.gz GKBVUMXLHMDHPB-RVMXOQNASA-N 2 0 273.371 1.494 10 0 CDAERP CC[NH+](CC)CCCNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171897421 372209149 /nfs/dbraw/zinc/20/91/49/372209149.db2.gz PUYXAPCASYLSFG-CQSZACIVSA-N 2 0 282.432 1.208 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000233974287 482993811 /nfs/dbraw/zinc/99/38/11/482993811.db2.gz OWARCTWIDSYRHI-AWEZNQCLSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@@H](C)NC(=O)[C@H](C)N1CC2CCC1(C[NH3+])CC2 ZINC000578643076 372529361 /nfs/dbraw/zinc/52/93/61/372529361.db2.gz MVMOVWQXGQQLAB-ATAKMUTHSA-N 2 0 267.417 1.493 10 0 CDAERP O=C(C1CC[NH2+]CC1)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000361726609 372633590 /nfs/dbraw/zinc/63/35/90/372633590.db2.gz IZHONUFAXBTRJP-OAHLLOKOSA-N 2 0 279.428 1.463 10 0 CDAERP C[NH+]1CCN(C[C@H](O)C[NH2+]CC2(C3CCC3)CCC2)CC1 ZINC000581247195 372898591 /nfs/dbraw/zinc/89/85/91/372898591.db2.gz QIVMVTKDYNVMFT-MRXNPFEDSA-N 2 0 295.471 1.155 10 0 CDAERP C[C@H]1C[C@@H](NC(=[NH2+])NCc2ccccc2)CC[N@@H+]1C ZINC000307494110 372968221 /nfs/dbraw/zinc/96/82/21/372968221.db2.gz FFRFDIQZBVDTCF-JSGCOSHPSA-N 2 0 260.385 1.783 10 0 CDAERP Cc1ncsc1CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000581482747 373030853 /nfs/dbraw/zinc/03/08/53/373030853.db2.gz ZHTIPZIDBQYIGV-CMPLNLGQSA-N 2 0 253.415 1.972 10 0 CDAERP C[NH+]1CCC(CCNC(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652146268 412806253 /nfs/dbraw/zinc/80/62/53/412806253.db2.gz OFOWKEQQRMBHJC-UHFFFAOYSA-N 2 0 282.432 1.147 10 0 CDAERP O=C1[C@@H]([NH+]2CCC([C@H]3CC[NH2+]C3)CC2)CCN1C1CCC1 ZINC000631826270 373710826 /nfs/dbraw/zinc/71/08/26/373710826.db2.gz JMBUTBNOJJSDKH-HOCLYGCPSA-N 2 0 291.439 1.461 10 0 CDAERP CN(C(=O)C1(C)C[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000399148802 373706862 /nfs/dbraw/zinc/70/68/62/373706862.db2.gz DLKVRENRIKQYCF-OAHLLOKOSA-N 2 0 287.407 1.329 10 0 CDAERP CCC[C@H](C)C[NH+]1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000342758913 374506704 /nfs/dbraw/zinc/50/67/04/374506704.db2.gz XEBANYYMLFOYTQ-HNNXBMFYSA-N 2 0 283.460 1.909 10 0 CDAERP CC[NH+](CC)CCCNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113577609 374513318 /nfs/dbraw/zinc/51/33/18/374513318.db2.gz DCIIYVDJLCFIAY-GJZGRUSLSA-N 2 0 296.459 1.596 10 0 CDAERP O=C(NCCC[C@@H]1CCC[NH2+]1)N1CC[NH+]2CCC1CC2 ZINC000418758339 374569409 /nfs/dbraw/zinc/56/94/09/374569409.db2.gz COIJJMMAGJIXCS-ZDUSSCGKSA-N 2 0 280.416 1.008 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH+](C)C)CC1 ZINC000342957965 374791932 /nfs/dbraw/zinc/79/19/32/374791932.db2.gz FUFUPLNPWVKKCO-CQSZACIVSA-N 2 0 267.417 1.413 10 0 CDAERP C[C@H]1CC[C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)CS1 ZINC000655718746 412833944 /nfs/dbraw/zinc/83/39/44/412833944.db2.gz LYYJNLNKFNRVRK-KBPBESRZSA-N 2 0 285.501 1.886 10 0 CDAERP C[C@@H](C[NH+](C)C)NC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415963846 375489932 /nfs/dbraw/zinc/48/99/32/375489932.db2.gz WDKGJCXOZBLTSP-JTQLQIEISA-N 2 0 294.374 1.543 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415965778 375491240 /nfs/dbraw/zinc/49/12/40/375491240.db2.gz YRUGLOCZUJFVKM-GFCCVEGCSA-N 2 0 278.400 1.997 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH2+]C2CCN(C(=O)C(C)C)CC2)[C@H](C)C1 ZINC000134164949 375616967 /nfs/dbraw/zinc/61/69/67/375616967.db2.gz MYJRTSJHLXPNAN-GDBMZVCRSA-N 2 0 295.471 1.953 10 0 CDAERP CC[NH+]1CCC(CC[NH2+]CC2(OC)CCOCC2)CC1 ZINC000428865464 247374741 /nfs/dbraw/zinc/37/47/41/247374741.db2.gz FEDOEEJOUMPOOD-UHFFFAOYSA-N 2 0 284.444 1.894 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]CC[C@@H](O)C(F)F)[C@H](C)C1 ZINC000631698609 376473819 /nfs/dbraw/zinc/47/38/19/376473819.db2.gz WTJUQSUCSTUTEE-OUAUKWLOSA-N 2 0 250.333 1.322 10 0 CDAERP C[C@@H](NC(=O)[C@@H](C)N1CC[C@@](C)(C[NH3+])C1)c1ccccc1 ZINC000631825768 376655797 /nfs/dbraw/zinc/65/57/97/376655797.db2.gz UCRSEQWFQOLYSS-CPUCHLNUSA-N 2 0 289.423 1.923 10 0 CDAERP CC[NH+](CC)CCCNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000416822320 284598540 /nfs/dbraw/zinc/59/85/40/284598540.db2.gz VSVHHYDNQYQDBD-UONOGXRCSA-N 2 0 282.432 1.112 10 0 CDAERP CC[C@H](C)NC(=O)CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246689362 376972827 /nfs/dbraw/zinc/97/28/27/376972827.db2.gz KDKDJCUWVQNOSK-AVGNSLFASA-N 2 0 255.406 1.316 10 0 CDAERP CO[C@H](CC[NH2+][C@@H]1CN(C)C[C@H]1C)C(F)(F)F ZINC000344865550 377029393 /nfs/dbraw/zinc/02/93/93/377029393.db2.gz MUMMNRDFNMGGPO-OPRDCNLKSA-N 2 0 254.296 1.494 10 0 CDAERP CC[C@H](C(=O)OC)[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000247261927 377079599 /nfs/dbraw/zinc/07/95/99/377079599.db2.gz BELYEDVRVUSREP-QWHCGFSZSA-N 2 0 277.368 1.767 10 0 CDAERP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@H]1CCCC[N@@H+]1CC ZINC000247555424 377149862 /nfs/dbraw/zinc/14/98/62/377149862.db2.gz QQPZUZSOVOOROY-LSDHHAIUSA-N 2 0 298.475 1.890 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H](c1ccnn1C)C(C)C ZINC000643484259 377450938 /nfs/dbraw/zinc/45/09/38/377450938.db2.gz LZPDDXHQQADTSE-KBPBESRZSA-N 2 0 282.432 1.503 10 0 CDAERP CC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@H]1CC)c1ncc[nH]1 ZINC000632509893 377547068 /nfs/dbraw/zinc/54/70/68/377547068.db2.gz RISYVKDECQXGOM-UTUOFQBUSA-N 2 0 264.373 1.707 10 0 CDAERP O[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000251101429 377558914 /nfs/dbraw/zinc/55/89/14/377558914.db2.gz JZIPSUSHOBLTSK-LXTVHRRPSA-N 2 0 252.402 1.754 10 0 CDAERP CC(C)[NH2+]CCC(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000572129915 377706952 /nfs/dbraw/zinc/70/69/52/377706952.db2.gz BHBZZLVEXAZCOS-UHFFFAOYSA-N 2 0 253.390 1.104 10 0 CDAERP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000335033296 377780442 /nfs/dbraw/zinc/78/04/42/377780442.db2.gz FUCZCWBKLPWEDH-GXTWGEPZSA-N 2 0 292.427 1.007 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000417527614 377838292 /nfs/dbraw/zinc/83/82/92/377838292.db2.gz DONGZRBQDQRPKT-BZPMIXESSA-N 2 0 282.432 1.286 10 0 CDAERP CCC[C@@H]1CN(C[C@@]2(C)CC[NH2+]C2)CC[N@@H+]1CCOC ZINC000261699380 377889321 /nfs/dbraw/zinc/88/93/21/377889321.db2.gz CEORNVDRKICBED-CVEARBPZSA-N 2 0 283.460 1.419 10 0 CDAERP C[NH+](C)CCCNC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000632839320 377920496 /nfs/dbraw/zinc/92/04/96/377920496.db2.gz RMGYXEOEHVUUBO-UHFFFAOYSA-N 2 0 296.459 1.598 10 0 CDAERP O=C(c1ccc2c(c1)C[NH2+]C2)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000632860059 377937893 /nfs/dbraw/zinc/93/78/93/377937893.db2.gz DXFNNDXZUFNVSQ-HOCLYGCPSA-N 2 0 285.391 1.504 10 0 CDAERP C[NH+]1CCC(CC(=O)NC(C)(C)C[NH+]2CCCC2)CC1 ZINC000457041231 377943985 /nfs/dbraw/zinc/94/39/85/377943985.db2.gz GGHRUMKRGJMFMG-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@H]1CC ZINC000633054177 378077903 /nfs/dbraw/zinc/07/79/03/378077903.db2.gz DIPRBBZFQSXOGZ-ZNMIVQPWSA-N 2 0 281.444 1.707 10 0 CDAERP Cc1ncc(C[NH2+]CC2CC[NH+](C[C@H](C)O)CC2)s1 ZINC000069437007 378089839 /nfs/dbraw/zinc/08/98/39/378089839.db2.gz ORQXRTKWGXWJHX-NSHDSACASA-N 2 0 283.441 1.634 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000193302699 378287930 /nfs/dbraw/zinc/28/79/30/378287930.db2.gz BJPZDOVZMSPYSB-ZIAGYGMSSA-N 2 0 267.417 1.591 10 0 CDAERP C[C@H]1C[C@@H](NC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC[N@@H+]1C ZINC000417755747 378590284 /nfs/dbraw/zinc/59/02/84/378590284.db2.gz RGODBTCJCXTOEA-XDQVBPFNSA-N 2 0 280.416 1.005 10 0 CDAERP CC1CC[NH+](CCN2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC000662326014 412895986 /nfs/dbraw/zinc/89/59/86/412895986.db2.gz SXEHIFRNLQZIGZ-QGZVFWFLSA-N 2 0 297.487 1.761 10 0 CDAERP CCOCC[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000444660439 250162142 /nfs/dbraw/zinc/16/21/42/250162142.db2.gz GAGRHJPCACJZIA-QLFBSQMISA-N 2 0 272.433 1.436 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000657572594 412904198 /nfs/dbraw/zinc/90/41/98/412904198.db2.gz CDBNRTHBPVLNPS-JONQDZQNSA-N 2 0 285.476 1.804 10 0 CDAERP CC(C)[C@H]1CN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC[N@@H+]1C ZINC000634300556 379356646 /nfs/dbraw/zinc/35/66/46/379356646.db2.gz CNYOECHREOAZNG-MELADBBJSA-N 2 0 267.417 1.173 10 0 CDAERP CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001662630710 1172572425 /nfs/dbraw/zinc/57/24/25/1172572425.db2.gz MPJBSLJFFQHQRQ-UKRRQHHQSA-N 2 0 279.428 1.176 10 0 CDAERP CCC(=O)CCCN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000450397416 251262120 /nfs/dbraw/zinc/26/21/20/251262120.db2.gz XWLUREIRNFVYCJ-MRXNPFEDSA-N 2 0 295.471 1.848 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000185351981 140037884 /nfs/dbraw/zinc/03/78/84/140037884.db2.gz FQSDUEDMNGLNFS-CQSZACIVSA-N 2 0 281.444 1.886 10 0 CDAERP CC1(C)CC[NH2+][C@@H]1C(=O)NCC1([NH3+])CCCCCC1 ZINC000662398408 412960107 /nfs/dbraw/zinc/96/01/07/412960107.db2.gz RHZHOGKNAYNBJW-GFCCVEGCSA-N 2 0 267.417 1.542 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000662402037 412966891 /nfs/dbraw/zinc/96/68/91/412966891.db2.gz FRFGZANHCYUGHY-KBPBESRZSA-N 2 0 299.459 1.365 10 0 CDAERP C[NH+](C)CCCC1CC[NH+](C[C@]2(O)CCCOC2)CC1 ZINC000660156766 412967260 /nfs/dbraw/zinc/96/72/60/412967260.db2.gz HOTKDKDQMLQXRQ-MRXNPFEDSA-N 2 0 284.444 1.582 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CCC3(C2)CC[NH2+]CC3)C1 ZINC000335286191 285265119 /nfs/dbraw/zinc/26/51/19/285265119.db2.gz XTBVDAYHAWLDRR-AWEZNQCLSA-N 2 0 294.443 1.256 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C[C@H]1C ZINC000261617932 285368692 /nfs/dbraw/zinc/36/86/92/285368692.db2.gz ALQHQCDFESFZJE-KBUPBQIOSA-N 2 0 281.444 1.693 10 0 CDAERP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CC[NH2+]C2)cc1 ZINC000646967811 390322332 /nfs/dbraw/zinc/32/23/32/390322332.db2.gz MHBUHRQJSSWLQS-ZDUSSCGKSA-N 2 0 261.369 1.088 10 0 CDAERP CC(C)([NH3+])CCc1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000647158401 390600056 /nfs/dbraw/zinc/60/00/56/390600056.db2.gz DTUBILGNJFGZKA-UHFFFAOYSA-N 2 0 260.341 1.865 10 0 CDAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@H]([NH3+])CC(C)C ZINC000394350238 390870535 /nfs/dbraw/zinc/87/05/35/390870535.db2.gz MLWUVAFYEDOZKP-KFWWJZLASA-N 2 0 253.434 1.918 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)[C@]2(O)CCOC2)[C@H]2CCC[C@@H]21 ZINC000647341973 390943693 /nfs/dbraw/zinc/94/36/93/390943693.db2.gz FYAQBTHPYSCYAN-AESZEHBQSA-N 2 0 296.455 1.626 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000648187754 390947627 /nfs/dbraw/zinc/94/76/27/390947627.db2.gz XUOOHAVQYODUOR-CHWSQXEVSA-N 2 0 279.428 1.556 10 0 CDAERP CC1(C)C[NH2+][C@@H]1C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000648199140 390949548 /nfs/dbraw/zinc/94/95/48/390949548.db2.gz VTHQOYCQGZLSHP-ZIAGYGMSSA-N 2 0 273.380 1.069 10 0 CDAERP O=C(CCC1CC[NH2+]CC1)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648209965 390952680 /nfs/dbraw/zinc/95/26/80/390952680.db2.gz GLGGCYVBYLCXIY-AWEZNQCLSA-N 2 0 279.428 1.557 10 0 CDAERP C[C@@H](NCCC[NH+](C)C)c1cc2n(n1)CCCC2 ZINC000647280543 390915311 /nfs/dbraw/zinc/91/53/11/390915311.db2.gz SKJGGRWETKTVML-GFCCVEGCSA-N 2 0 250.390 1.822 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)NC[C@@H]([NH3+])C(C)C)CC1 ZINC000417751320 391026095 /nfs/dbraw/zinc/02/60/95/391026095.db2.gz PBOSTCDWFMWQQT-CQSZACIVSA-N 2 0 284.448 1.391 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000404930681 390967516 /nfs/dbraw/zinc/96/75/16/390967516.db2.gz MDFBJWMSQRHQRS-CHWSQXEVSA-N 2 0 255.406 1.303 10 0 CDAERP C[C@H]1C[NH2+]C[C@@H](NCCC[NH2+]Cc2cccnc2)C1 ZINC000647546592 390990138 /nfs/dbraw/zinc/99/01/38/390990138.db2.gz QYKLFLLTSCTERY-HIFRSBDPSA-N 2 0 262.401 1.149 10 0 CDAERP COC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)C1CCOCC1 ZINC000187798043 391003493 /nfs/dbraw/zinc/00/34/93/391003493.db2.gz ZHSVEMRGXRSZPJ-QGZVFWFLSA-N 2 0 296.455 1.892 10 0 CDAERP CC(C)OCCC[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000105915402 391008719 /nfs/dbraw/zinc/00/87/19/391008719.db2.gz BEOOVHOYFMWAMT-HNNXBMFYSA-N 2 0 286.460 1.826 10 0 CDAERP C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)[C@@H]1CC[NH2+]C1 ZINC000415099721 391011430 /nfs/dbraw/zinc/01/14/30/391011430.db2.gz HHAIACKQCQWCDQ-MEBFFEOJSA-N 2 0 250.386 1.532 10 0 CDAERP C[NH2+]CCCN(C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000415126246 391034811 /nfs/dbraw/zinc/03/48/11/391034811.db2.gz GBPZTQQRHHDXTF-UHFFFAOYSA-N 2 0 273.384 1.617 10 0 CDAERP CCC[C@H](C)C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000415126464 391034969 /nfs/dbraw/zinc/03/49/69/391034969.db2.gz MEFCQXLNFKJJIT-GXTWGEPZSA-N 2 0 265.405 1.810 10 0 CDAERP CC[NH+](CC)CCCN1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000419333039 391054000 /nfs/dbraw/zinc/05/40/00/391054000.db2.gz ICHWXRQSLOZSDX-LSDHHAIUSA-N 2 0 271.449 1.105 10 0 CDAERP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]CC2(F)CC2)c1 ZINC000526978249 391241038 /nfs/dbraw/zinc/24/10/38/391241038.db2.gz LCYOICQYLYCCPR-UHFFFAOYSA-N 2 0 293.386 1.570 10 0 CDAERP C[C@H](CN1CCOCC1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647903728 391202295 /nfs/dbraw/zinc/20/22/95/391202295.db2.gz OVPCNKYPJIPIIT-OAGGEKHMSA-N 2 0 281.444 1.171 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C)C[NH+]1CCCCC1 ZINC000377562402 391262338 /nfs/dbraw/zinc/26/23/38/391262338.db2.gz KZSVFNMQQQCBAI-RRFJBIMHSA-N 2 0 281.444 1.613 10 0 CDAERP CC1CC[NH+](C[C@H]2CCCN(C(=O)NCCC[NH3+])C2)CC1 ZINC000418311555 391298122 /nfs/dbraw/zinc/29/81/22/391298122.db2.gz MGFSNXAJCQGIAU-OAHLLOKOSA-N 2 0 296.459 1.489 10 0 CDAERP C[C@@H](C[N@@H+]1CC[C@]2(C1)CCCN(C)C2)CS(C)(=O)=O ZINC000339433861 391300787 /nfs/dbraw/zinc/30/07/87/391300787.db2.gz QKQFXOITBZKOFZ-UONOGXRCSA-N 2 0 288.457 1.085 10 0 CDAERP C[C@@H]1CC[NH2+][C@H](C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)C1 ZINC000648104569 391338209 /nfs/dbraw/zinc/33/82/09/391338209.db2.gz DTSCWXLIFXEEMA-BARDWOONSA-N 2 0 279.428 1.365 10 0 CDAERP Cc1ccc([C@H](CNC(=O)N[C@@H](C)[C@@H](C)[NH3+])[NH+](C)C)cc1 ZINC000417313328 391348860 /nfs/dbraw/zinc/34/88/60/391348860.db2.gz PBYWQNYGUMGQPQ-IPYPFGDCSA-N 2 0 292.427 1.633 10 0 CDAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CC[C@H]2SC)CC1 ZINC000425357946 391484705 /nfs/dbraw/zinc/48/47/05/391484705.db2.gz QLZYJENYXGFGAQ-RBSFLKMASA-N 2 0 285.501 1.744 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417842010 391505857 /nfs/dbraw/zinc/50/58/57/391505857.db2.gz GFFBHCDCKMOFMW-HZSPNIEDSA-N 2 0 279.428 1.223 10 0 CDAERP CCCC[C@H](C[NH3+])NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000418438920 391511257 /nfs/dbraw/zinc/51/12/57/391511257.db2.gz FIVFIYJBNIMXSI-TZMCWYRMSA-N 2 0 282.432 1.382 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@@H](C[NH3+])C2CCCC2)CC[NH2+]1 ZINC000417847730 391518220 /nfs/dbraw/zinc/51/82/20/391518220.db2.gz ZOTCUPDAZSOVCE-DRZSPHRISA-N 2 0 253.390 1.008 10 0 CDAERP CCC[NH2+]CCNC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000417527116 391639715 /nfs/dbraw/zinc/63/97/15/391639715.db2.gz DABGIMLLXFDFKG-OKILXGFUSA-N 2 0 284.448 1.548 10 0 CDAERP CC[N@H+](CCNC(=O)N(C)[C@H]1CC[NH+](C2CC2)C1)C(C)C ZINC000350089013 391595073 /nfs/dbraw/zinc/59/50/73/391595073.db2.gz OSIWPUCTDJDFDP-HNNXBMFYSA-N 2 0 296.459 1.595 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000417537506 391645710 /nfs/dbraw/zinc/64/57/10/391645710.db2.gz SKOGKDRAZQUYDF-BFHYXJOUSA-N 2 0 282.432 1.253 10 0 CDAERP CC[C@H](COC)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415051887 391726562 /nfs/dbraw/zinc/72/65/62/391726562.db2.gz JTVOTZJNYFRFDG-WLYUNCDWSA-N 2 0 269.433 1.217 10 0 CDAERP CN1CC[NH+](CCCC[NH2+][C@@H]2CCCSCC2)CC1 ZINC000657835319 413050993 /nfs/dbraw/zinc/05/09/93/413050993.db2.gz MPNOHRQUAXXTCI-OAHLLOKOSA-N 2 0 285.501 1.889 10 0 CDAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)[C@H]1CCCC[NH2+]1 ZINC000649319346 392010585 /nfs/dbraw/zinc/01/05/85/392010585.db2.gz YUFJDOWJWKEWEM-CYBMUJFWSA-N 2 0 271.324 1.348 10 0 CDAERP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)[C@H]1CCCC[NH2+]1 ZINC000261741411 392020388 /nfs/dbraw/zinc/02/03/88/392020388.db2.gz ZRPPUACAGIAUBK-NFMDPKQHSA-N 2 0 265.401 1.151 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCC2CC2)CC1 ZINC000336806061 392090123 /nfs/dbraw/zinc/09/01/23/392090123.db2.gz CICQHXSIRYCLPS-MRXNPFEDSA-N 2 0 265.445 1.888 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCn2cc(C)cn2)C[C@@H]1C ZINC000336807751 392094368 /nfs/dbraw/zinc/09/43/68/392094368.db2.gz MWHZCLPCTBPQQN-LSDHHAIUSA-N 2 0 264.417 1.996 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000649337479 392060866 /nfs/dbraw/zinc/06/08/66/392060866.db2.gz PJCODVIKFZAZTM-AGIUHOORSA-N 2 0 265.401 1.070 10 0 CDAERP C[C@@H](C[NH+](C)C)NC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000646194437 392155112 /nfs/dbraw/zinc/15/51/12/392155112.db2.gz ZGKOIIGPZYIOQE-SWLSCSKDSA-N 2 0 290.411 1.204 10 0 CDAERP C[NH+]1CCC(C(=O)N[C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000649372621 392125226 /nfs/dbraw/zinc/12/52/26/392125226.db2.gz DQRSRMPUYOIGMY-ZDUSSCGKSA-N 2 0 265.401 1.119 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H](CO)Cc1ccc(C)cc1 ZINC000423063054 392310872 /nfs/dbraw/zinc/31/08/72/392310872.db2.gz VKCVQXWFLSMJKM-HOTGVXAUSA-N 2 0 280.412 1.242 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000423085420 392331401 /nfs/dbraw/zinc/33/14/01/392331401.db2.gz JVNHUZTURZTQTH-ZDUSSCGKSA-N 2 0 270.417 1.273 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000423098150 392340705 /nfs/dbraw/zinc/34/07/05/392340705.db2.gz CFKXQFLFFVXYKN-GHMZBOCLSA-N 2 0 271.311 1.900 10 0 CDAERP Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000656153459 413060937 /nfs/dbraw/zinc/06/09/37/413060937.db2.gz SHSYJTOGEAOYRP-XHSDSOJGSA-N 2 0 292.423 1.665 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@H](O)CC(F)(F)F)C1 ZINC000656154329 413063405 /nfs/dbraw/zinc/06/34/05/413063405.db2.gz VMFPOIMRRFRQNG-KXUCPTDWSA-N 2 0 254.296 1.230 10 0 CDAERP Cc1cnc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)s1 ZINC000180477792 140016238 /nfs/dbraw/zinc/01/62/38/140016238.db2.gz WOMIZECJRXRNCH-GFCCVEGCSA-N 2 0 297.468 1.976 10 0 CDAERP Cc1ccc([C@H]([NH3+])C(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000230800465 140213832 /nfs/dbraw/zinc/21/38/32/140213832.db2.gz LMRCMXAQGSQGGN-KBPBESRZSA-N 2 0 261.369 1.157 10 0 CDAERP CN(CC(=O)Nc1cc(F)cc(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000231670754 140217625 /nfs/dbraw/zinc/21/76/25/140217625.db2.gz XEIZUHNHENZROI-AWEZNQCLSA-N 2 0 297.349 1.977 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)C1CC1 ZINC000249994925 140301335 /nfs/dbraw/zinc/30/13/35/140301335.db2.gz PLBYPPSRMCYEHQ-XBFCOCLRSA-N 2 0 265.401 1.118 10 0 CDAERP C[C@@]1(CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CC[NH2+]C1 ZINC000261761807 140385821 /nfs/dbraw/zinc/38/58/21/140385821.db2.gz LONDEKKOSQTFLI-IXDOHACOSA-N 2 0 273.424 1.660 10 0 CDAERP O=C([C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261832611 140397094 /nfs/dbraw/zinc/39/70/94/140397094.db2.gz OXAHAUXYBINLHQ-LJIZCISZSA-N 2 0 291.439 1.365 10 0 CDAERP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000662531645 413103438 /nfs/dbraw/zinc/10/34/38/413103438.db2.gz KFPLACDDGBTRMU-MJBXVCDLSA-N 2 0 265.401 1.071 10 0 CDAERP C[NH+](C)CCCC[NH2+][C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000341709701 289111307 /nfs/dbraw/zinc/11/13/07/289111307.db2.gz LQCJJUAYFXCUMZ-OLZOCXBDSA-N 2 0 276.446 1.274 10 0 CDAERP COCC[NH2+]C1CCN(C(=O)C[C@@H](C[NH3+])CC(C)C)CC1 ZINC000662581142 413147657 /nfs/dbraw/zinc/14/76/57/413147657.db2.gz OEGCWCVIJHNPDI-AWEZNQCLSA-N 2 0 299.459 1.225 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000662585189 413152691 /nfs/dbraw/zinc/15/26/91/413152691.db2.gz SHHNIJPQHBPDKH-MELADBBJSA-N 2 0 269.433 1.454 10 0 CDAERP CC[NH2+]CCNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000418320575 397602808 /nfs/dbraw/zinc/60/28/08/397602808.db2.gz VHXCTUSPJYTYAE-LLVKDONJSA-N 2 0 264.373 1.115 10 0 CDAERP NC(=O)c1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000037917858 398117064 /nfs/dbraw/zinc/11/70/64/398117064.db2.gz PMSNJLUEFWDSQZ-HOTGVXAUSA-N 2 0 287.407 1.750 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)C1CCC([NH3+])CC1 ZINC000037825209 398112112 /nfs/dbraw/zinc/11/21/12/398112112.db2.gz XITRRBZCWGPMMR-UHFFFAOYSA-N 2 0 269.433 1.550 10 0 CDAERP CC(C)Oc1cc(NCCN(C)CCC[NH+](C)C)ncn1 ZINC000664244185 413179779 /nfs/dbraw/zinc/17/97/79/413179779.db2.gz DQSACHWZMUCXDA-UHFFFAOYSA-N 2 0 295.431 1.559 10 0 CDAERP COC[C@H](CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)OC ZINC000658084260 413185974 /nfs/dbraw/zinc/18/59/74/413185974.db2.gz XSGLYSZDBNKBOP-XQLPTFJDSA-N 2 0 270.417 1.500 10 0 CDAERP Cc1cc([C@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)no1 ZINC000658109829 413209951 /nfs/dbraw/zinc/20/99/51/413209951.db2.gz YWAPTHHDNPUJMJ-JSGCOSHPSA-N 2 0 282.432 1.906 10 0 CDAERP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000182920590 148275197 /nfs/dbraw/zinc/27/51/97/148275197.db2.gz CKWVNGLXGNHKNI-HIFRSBDPSA-N 2 0 283.460 1.940 10 0 CDAERP CC[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)C[C@@H]1N1CCOCC1 ZINC000262017304 149001686 /nfs/dbraw/zinc/00/16/86/149001686.db2.gz VTUXMLCZGOHENR-XHSDSOJGSA-N 2 0 281.444 1.029 10 0 CDAERP CCC[C@@](C)([NH3+])C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000262173969 149028971 /nfs/dbraw/zinc/02/89/71/149028971.db2.gz XTOXUENMNTWOMA-CZUORRHYSA-N 2 0 297.443 1.216 10 0 CDAERP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C2C[NH2+]C2)CC1 ZINC000262243653 149039180 /nfs/dbraw/zinc/03/91/80/149039180.db2.gz OHVSGTKAXBUZIE-ZDUSSCGKSA-N 2 0 287.407 1.548 10 0 CDAERP C[NH+]1CCC(CCNC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000334892892 150044028 /nfs/dbraw/zinc/04/40/28/150044028.db2.gz QLNVUMVSSSNOCX-GJZGRUSLSA-N 2 0 294.443 1.112 10 0 CDAERP CC1(C)NC(=O)CC[C@@H]1[NH2+]CC1([NH3+])CCCCCC1 ZINC000335058880 150240981 /nfs/dbraw/zinc/24/09/81/150240981.db2.gz MBKRJMYSXFIYGJ-LBPRGKRZSA-N 2 0 267.417 1.685 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N2CC[NH+]3CCC2CC3)CC1 ZINC000335969803 151159625 /nfs/dbraw/zinc/15/96/25/151159625.db2.gz HFBUGJIXNJKZAJ-UHFFFAOYSA-N 2 0 279.428 1.413 10 0 CDAERP CC[NH+]1CCC(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)CC1 ZINC000336031156 151211005 /nfs/dbraw/zinc/21/10/05/151211005.db2.gz VBBIDKLIEDAEMN-HNNXBMFYSA-N 2 0 292.427 1.126 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](CCO)CC1CC1 ZINC000346208973 153097959 /nfs/dbraw/zinc/09/79/59/153097959.db2.gz OCHIXIMOLOUWMT-UHFFFAOYSA-N 2 0 286.379 1.780 10 0 CDAERP CC[C@H]([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)C1CC1 ZINC000347209423 153449338 /nfs/dbraw/zinc/44/93/38/153449338.db2.gz UADNJIYOOSIQHK-GJZGRUSLSA-N 2 0 283.460 1.857 10 0 CDAERP C[C@@H](CNC(=O)C1([NH3+])CC2(CCC2)C1)C[NH+]1CCCCC1 ZINC000662692461 413323151 /nfs/dbraw/zinc/32/31/51/413323151.db2.gz XKWXOXXNVUGYJQ-AWEZNQCLSA-N 2 0 293.455 1.886 10 0 CDAERP CCSCC[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000355731145 157206768 /nfs/dbraw/zinc/20/67/68/157206768.db2.gz GXRZNZSLISGXRA-CQSZACIVSA-N 2 0 273.490 1.601 10 0 CDAERP [NH3+][C@@H](CCC(=O)NCC12CC(C1)C[NH2+]2)c1ccccc1 ZINC000662719008 413375693 /nfs/dbraw/zinc/37/56/93/413375693.db2.gz UQBKBDRTIOKJEW-UGWHAMFMSA-N 2 0 273.380 1.335 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000662730558 413396626 /nfs/dbraw/zinc/39/66/26/413396626.db2.gz JDLULBRHAWUPOJ-BPLDGKMQSA-N 2 0 277.412 1.812 10 0 CDAERP C[C@@H](CC[NH+](C)C)NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000417323689 286805729 /nfs/dbraw/zinc/80/57/29/286805729.db2.gz YOSJEYOFMANYNL-DZGCQCFKSA-N 2 0 282.432 1.112 10 0 CDAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000373516474 160207513 /nfs/dbraw/zinc/20/75/13/160207513.db2.gz PUJWLECYFBZRBQ-GXTWGEPZSA-N 2 0 290.411 1.140 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000662667970 411818572 /nfs/dbraw/zinc/81/85/72/411818572.db2.gz FKGMRLLERNLRMD-CHWSQXEVSA-N 2 0 267.417 1.637 10 0 CDAERP CC(C)[NH+]1CCC(C[NH3+])(N2CCC[C@H](C)C2)CC1 ZINC000019471317 170804907 /nfs/dbraw/zinc/80/49/07/170804907.db2.gz CQMQJZMWAJJIRH-AWEZNQCLSA-N 2 0 253.434 1.920 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)C1(C[NH3+])CCCC1 ZINC000653210913 412139749 /nfs/dbraw/zinc/13/97/49/412139749.db2.gz LLCHJLUYASTEGA-UHFFFAOYSA-N 2 0 275.396 1.541 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)CCC1CC[NH2+]CC1 ZINC000653175825 412114530 /nfs/dbraw/zinc/11/45/30/412114530.db2.gz CCLDWLSEAYYSEQ-UHFFFAOYSA-N 2 0 283.460 1.860 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)c1ccccc1CC[NH3+] ZINC000653176111 412116681 /nfs/dbraw/zinc/11/66/81/412116681.db2.gz KKAPLMCGWVEQCG-UHFFFAOYSA-N 2 0 291.439 1.896 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261709086 287266265 /nfs/dbraw/zinc/26/62/65/287266265.db2.gz BUYZWWUIEOFGKW-KFWWJZLASA-N 2 0 297.443 1.264 10 0 CDAERP CC[N@H+](C)C[C@@H](O)C[NH2+]CC[C@]1(C)CC1(F)F ZINC000656716315 413594706 /nfs/dbraw/zinc/59/47/06/413594706.db2.gz ULBPVQVTZRSJBP-WDEREUQCSA-N 2 0 250.333 1.324 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)N1CC[N@H+](C)CC12CCCCC2 ZINC000659284902 413680336 /nfs/dbraw/zinc/68/03/36/413680336.db2.gz LUCIAYYRAZKQRB-AWEZNQCLSA-N 2 0 297.443 1.216 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)NC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659494751 413885589 /nfs/dbraw/zinc/88/55/89/413885589.db2.gz VJCNJCOYZXCBIK-UONOGXRCSA-N 2 0 286.464 1.779 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000659440374 413824392 /nfs/dbraw/zinc/82/43/92/413824392.db2.gz NFSASAXAZODXPC-LSDHHAIUSA-N 2 0 298.475 1.781 10 0 CDAERP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661141291 413827947 /nfs/dbraw/zinc/82/79/47/413827947.db2.gz RMFMDVQFJPAUTE-CQSZACIVSA-N 2 0 265.405 1.332 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659494800 413884209 /nfs/dbraw/zinc/88/42/09/413884209.db2.gz WLJBNJYELOTFCL-JHJVBQTASA-N 2 0 288.411 1.188 10 0 CDAERP C[C@H](NC(=O)N[C@H]1CCC[C@H]([NH3+])C1)c1nccn1C ZINC000659534896 413938381 /nfs/dbraw/zinc/93/83/81/413938381.db2.gz BUERXBAASQABOU-DCAQKATOSA-N 2 0 265.361 1.050 10 0 CDAERP C[C@H](NC(=O)N[C@H]1CCC[C@@H]([NH3+])C1)c1nccn1C ZINC000659534895 413938679 /nfs/dbraw/zinc/93/86/79/413938679.db2.gz BUERXBAASQABOU-AXFHLTTASA-N 2 0 265.361 1.050 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000659558662 413968142 /nfs/dbraw/zinc/96/81/42/413968142.db2.gz BEDLOFKPZXSQFN-CABCVRRESA-N 2 0 298.475 1.733 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC[C@@H]([NH3+])C(C)C)[C@@H](C)C1 ZINC000659622259 414032497 /nfs/dbraw/zinc/03/24/97/414032497.db2.gz PMUCEXZUIGMBFZ-RRFJBIMHSA-N 2 0 298.475 1.732 10 0 CDAERP C[NH+](C)C1CCN([C@H](CC[NH3+])C(F)(F)F)CC1 ZINC000037178763 173012117 /nfs/dbraw/zinc/01/21/17/173012117.db2.gz GCQYUJMXNKYPTF-SNVBAGLBSA-N 2 0 253.312 1.292 10 0 CDAERP CN(c1ccc(F)cc1C[NH3+])C1CC[NH+](C)CC1 ZINC000037236262 173054668 /nfs/dbraw/zinc/05/46/68/173054668.db2.gz JENWOCKPNMXMOT-UHFFFAOYSA-N 2 0 251.349 1.815 10 0 CDAERP CCNC(=O)[C@H](C)[N@H+](CCC[NH3+])C1CCCCCC1 ZINC000037299898 173105542 /nfs/dbraw/zinc/10/55/42/173105542.db2.gz AKDGUJYSWXOEEQ-ZDUSSCGKSA-N 2 0 269.433 1.885 10 0 CDAERP CC[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(CC)CC2)CO1 ZINC000657307472 414158772 /nfs/dbraw/zinc/15/87/72/414158772.db2.gz GSBWNSCZMMAYFA-HZPDHXFCSA-N 2 0 283.460 1.561 10 0 CDAERP C[NH+](C)[C@H]1CCCN(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000665366318 414116898 /nfs/dbraw/zinc/11/68/98/414116898.db2.gz WIWKSNBUYYKTIG-KGLIPLIRSA-N 2 0 296.459 1.595 10 0 CDAERP CCN1CC[C@H]([NH+]2CCC(C[NH+]3CCCC3)CC2)C1=O ZINC000659843369 414169523 /nfs/dbraw/zinc/16/95/23/414169523.db2.gz SJEKSGYLRVVCRS-HNNXBMFYSA-N 2 0 279.428 1.415 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655803402 414196522 /nfs/dbraw/zinc/19/65/22/414196522.db2.gz ZWMWQLBAEFRNRP-DGXTUMSLSA-N 2 0 283.460 1.556 10 0 CDAERP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655806058 414197884 /nfs/dbraw/zinc/19/78/84/414197884.db2.gz OTESKVHLDCPVLQ-WCFLWFBJSA-N 2 0 250.390 1.719 10 0 CDAERP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655803703 414199176 /nfs/dbraw/zinc/19/91/76/414199176.db2.gz CBVZPUNBGQOTHP-ZNMIVQPWSA-N 2 0 264.417 1.838 10 0 CDAERP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655806535 414203917 /nfs/dbraw/zinc/20/39/17/414203917.db2.gz XXRVSMLOFGPAOM-VIRABCJISA-N 2 0 251.418 1.399 10 0 CDAERP [NH3+]C1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000037626132 173576969 /nfs/dbraw/zinc/57/69/69/173576969.db2.gz KCIQXAKWAQSKRG-UHFFFAOYSA-N 2 0 253.390 1.106 10 0 CDAERP C[C@H]([NH2+][C@H]1CCNC1=O)c1ccc(-n2ccnc2)cc1 ZINC000663456354 414267177 /nfs/dbraw/zinc/26/71/77/414267177.db2.gz ICORUTQLOSZQIA-FZMZJTMJSA-N 2 0 270.336 1.411 10 0 CDAERP CC[C@@H](Cn1cncn1)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663463643 414271980 /nfs/dbraw/zinc/27/19/80/414271980.db2.gz APSMRIWBVHYIQT-CVEARBPZSA-N 2 0 291.443 1.768 10 0 CDAERP COc1ccc2c(c1)C[C@@H]([NH2+]CC13CC(C1)C[NH2+]3)CC2 ZINC000663499042 414297965 /nfs/dbraw/zinc/29/79/65/414297965.db2.gz VPCGNOUHHHCFBV-VXKCQOAXSA-N 2 0 272.392 1.894 10 0 CDAERP CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657420873 414305725 /nfs/dbraw/zinc/30/57/25/414305725.db2.gz BZXKTLNJXKCXHB-GJZGRUSLSA-N 2 0 299.378 1.272 10 0 CDAERP C[NH+](C)C1CCC([NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC000657493685 414392881 /nfs/dbraw/zinc/39/28/81/414392881.db2.gz HSIFFNJJISZVPP-UHFFFAOYSA-N 2 0 262.401 1.792 10 0 CDAERP Cn1ccc(CC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)n1 ZINC000657436105 414322294 /nfs/dbraw/zinc/32/22/94/414322294.db2.gz RVOQIZILCZMPHS-UHFFFAOYSA-N 2 0 282.351 1.333 10 0 CDAERP CC[C@@H]1C[C@@H]([NH2+][C@H](C)CCN2CC[NH+](C)CC2)CO1 ZINC000657438901 414329994 /nfs/dbraw/zinc/32/99/94/414329994.db2.gz QOUGEGCJSZHSBA-RBSFLKMASA-N 2 0 269.433 1.170 10 0 CDAERP Cc1ccccc1C[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249467 414585166 /nfs/dbraw/zinc/58/51/66/414585166.db2.gz OFJZRMILYUSXRP-OAHLLOKOSA-N 2 0 260.381 1.948 10 0 CDAERP C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662250076 414585674 /nfs/dbraw/zinc/58/56/74/414585674.db2.gz XKEDLPGTCLCHPZ-AWEZNQCLSA-N 2 0 264.344 1.779 10 0 CDAERP CC[C@H]([NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1)c1c(C)noc1C ZINC000662280504 414611065 /nfs/dbraw/zinc/61/10/65/414611065.db2.gz FMUKDGWPQVPAAS-STQMWFEESA-N 2 0 279.384 1.853 10 0 CDAERP CC(C)NC(=O)[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000662317717 414635443 /nfs/dbraw/zinc/63/54/43/414635443.db2.gz QVNRRZUIZKLSEW-ZIAGYGMSSA-N 2 0 267.417 1.223 10 0 CDAERP CC[NH+](CC)C[C@H](O)C[NH2+][C@H](C)Cc1ccco1 ZINC000038092507 174106562 /nfs/dbraw/zinc/10/65/62/174106562.db2.gz XWSMFFWNNSMSEG-CHWSQXEVSA-N 2 0 254.374 1.503 10 0 CDAERP CC[NH+]1CCN([C@@H](C[NH3+])[C@H](C)c2ccccc2)CC1 ZINC000040216753 174205415 /nfs/dbraw/zinc/20/54/15/174205415.db2.gz FQIULQQRGUISCS-ZBFHGGJFSA-N 2 0 261.413 1.755 10 0 CDAERP O=C([C@@H]1CCC[N@@H+]1Cc1ccsc1)N1CC[NH2+]CC1 ZINC000040508094 174302911 /nfs/dbraw/zinc/30/29/11/174302911.db2.gz MAFPBBLABWIGOM-ZDUSSCGKSA-N 2 0 279.409 1.144 10 0 CDAERP C[N@@H+]1CC[C@H](CN[C@@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000040671474 174369319 /nfs/dbraw/zinc/36/93/19/174369319.db2.gz LUBJMPVOPSGJBH-QZTJIDSGSA-N 2 0 287.451 1.845 10 0 CDAERP COc1ccc(C[NH+](C)C)cc1N[C@H]1CCC[NH2+]C1 ZINC000043326174 175007496 /nfs/dbraw/zinc/00/74/96/175007496.db2.gz KHUVJEVYZGMIHR-ZDUSSCGKSA-N 2 0 263.385 1.921 10 0 CDAERP CC[C@H]([NH3+])[C@H](c1ccncc1)N1CC[NH+](CC)CC1 ZINC000043353013 175020382 /nfs/dbraw/zinc/02/03/82/175020382.db2.gz RMQTUIHIPAXPBL-GJZGRUSLSA-N 2 0 262.401 1.498 10 0 CDAERP CCN(CC)C(=O)[C@@H](C)[N@H+](CCC[NH3+])CC(C)C ZINC000043417390 175038376 /nfs/dbraw/zinc/03/83/76/175038376.db2.gz XGUYSMLXIFBZMO-CYBMUJFWSA-N 2 0 257.422 1.550 10 0 CDAERP COc1ccccc1CN1CCC[N@H+](CCCC[NH3+])CC1 ZINC000043457213 175049953 /nfs/dbraw/zinc/04/99/53/175049953.db2.gz KUUAQKSUMUUOGN-UHFFFAOYSA-N 2 0 291.439 1.942 10 0 CDAERP CC[NH+](CC)Cc1ccccc1NC(=O)[C@H]1C[NH2+]CCO1 ZINC000043709110 175102680 /nfs/dbraw/zinc/10/26/80/175102680.db2.gz IYKKSGODVKLHMA-OAHLLOKOSA-N 2 0 291.395 1.455 10 0 CDAERP CC[NH2+][C@H]1c2ccccc2C[C@H]1N1CC[NH+](CC)CC1 ZINC000043806042 175108651 /nfs/dbraw/zinc/10/86/51/175108651.db2.gz YADRGKFDJRHVFJ-SJORKVTESA-N 2 0 273.424 1.899 10 0 CDAERP CC[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1C ZINC000043810787 175110441 /nfs/dbraw/zinc/11/04/41/175110441.db2.gz ZTSQTYFZHZFGFU-MRXNPFEDSA-N 2 0 261.413 1.893 10 0 CDAERP C[NH2+][C@H](c1ccccc1)[C@H](C)N1CCC[N@H+](C)CC1 ZINC000043818036 175113136 /nfs/dbraw/zinc/11/31/36/175113136.db2.gz ISYKBPCABAHLMV-HOCLYGCPSA-N 2 0 261.413 1.973 10 0 CDAERP C[NH2+][C@H]1c2ccccc2C[C@@H]1N1CCC[N@H+](C)CC1 ZINC000043818116 175113190 /nfs/dbraw/zinc/11/31/90/175113190.db2.gz QICSWRWONOCFLE-HOTGVXAUSA-N 2 0 259.397 1.509 10 0 CDAERP C[NH+](C)C(C)(C)CNC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000044427246 175175285 /nfs/dbraw/zinc/17/52/85/175175285.db2.gz YWECUDNLRMVYGX-AWEZNQCLSA-N 2 0 275.396 1.330 10 0 CDAERP CC[NH+]1CCC(C[NH2+]CC(=O)N[C@@H](C)C(C)C)CC1 ZINC000044518432 175191102 /nfs/dbraw/zinc/19/11/02/175191102.db2.gz MUJLOAIJPWMNTO-ZDUSSCGKSA-N 2 0 269.433 1.469 10 0 CDAERP CCCC[C@@H]([NH3+])C(=O)NCC1CC[NH+](CC)CC1 ZINC000044526778 175191991 /nfs/dbraw/zinc/19/19/91/175191991.db2.gz YMYYUYDJIYJOLS-CYBMUJFWSA-N 2 0 255.406 1.352 10 0 CDAERP C[C@@H]1C[NH2+]C[C@@H](C)C[NH+](CC2CC[NH+](C)CC2)C1 ZINC000044526828 175192040 /nfs/dbraw/zinc/19/20/40/175192040.db2.gz UFZVFQJBNMKLTA-ZIAGYGMSSA-N 3 0 253.434 1.506 10 0 CDAERP CCC[NH+]1CCC([C@H](C)[NH2+]CCOCCOC)CC1 ZINC000044694068 175235005 /nfs/dbraw/zinc/23/50/05/175235005.db2.gz GVQLYVZFNXCTLX-AWEZNQCLSA-N 2 0 272.433 1.750 10 0 CDAERP C[NH+]1CCC(CNC(=O)[C@H](C[NH3+])Cc2ccccc2)CC1 ZINC000044808395 175257209 /nfs/dbraw/zinc/25/72/09/175257209.db2.gz UDISDDPWTKEXML-INIZCTEOSA-N 2 0 289.423 1.262 10 0 CDAERP CC(C)[NH2+]C[C@H](O)C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045072119 175301944 /nfs/dbraw/zinc/30/19/44/175301944.db2.gz CKTOWBZWSFUDPF-LSDHHAIUSA-N 2 0 254.418 2.000 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](C[NH2+]CCCn2ccnc2)C1 ZINC000045134651 175312299 /nfs/dbraw/zinc/31/22/99/175312299.db2.gz XJKKBBZETHDHJU-AWEZNQCLSA-N 2 0 250.390 1.593 10 0 CDAERP CCC[C@H](C[NH3+])C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000045135568 175313466 /nfs/dbraw/zinc/31/34/66/175313466.db2.gz FDIRJWCVIZDKRV-QWHCGFSZSA-N 2 0 255.406 1.208 10 0 CDAERP C[C@@](CCC[NH+]1CCCCC1)([NH2+]C1CC1)C(N)=O ZINC000045378381 175367347 /nfs/dbraw/zinc/36/73/47/175367347.db2.gz MIGSXMIYEGPLDI-AWEZNQCLSA-N 2 0 253.390 1.249 10 0 CDAERP CC(C)C[N@H+](C)CCC[C@@](C)([NH2+]C1CC1)C(N)=O ZINC000045381065 175369793 /nfs/dbraw/zinc/36/97/93/175369793.db2.gz WYQWLMALULXKER-CQSZACIVSA-N 2 0 255.406 1.350 10 0 CDAERP CCC[N@H+](CCCC[C@](C)([NH3+])C(=O)OC)C1CC1 ZINC000045387393 175373217 /nfs/dbraw/zinc/37/32/17/175373217.db2.gz KUMULWFUFJBGNJ-AWEZNQCLSA-N 2 0 256.390 1.922 10 0 CDAERP CCC[NH2+][C@@](C)(CCCN1CC[NH+](C(C)C)CC1)C(N)=O ZINC000045393935 175376261 /nfs/dbraw/zinc/37/62/61/175376261.db2.gz XPUKVCMCVVLPAQ-INIZCTEOSA-N 2 0 298.475 1.036 10 0 CDAERP O=C1[C@H]([NH2+]C2CC2)CCCN1CCC[NH+]1CCCC1 ZINC000071031426 176022950 /nfs/dbraw/zinc/02/29/50/176022950.db2.gz SXRSNIBADMASBK-CQSZACIVSA-N 2 0 265.401 1.215 10 0 CDAERP CC[NH2+][C@@H]1CCN([C@@H](CC(C)C)C[NH+](C)C)C1=O ZINC000071031995 176023084 /nfs/dbraw/zinc/02/30/84/176023084.db2.gz QRKGJFOROWXKNF-QWHCGFSZSA-N 2 0 255.406 1.173 10 0 CDAERP CCC[NH2+][C@H]1CCCN(CCC[NH+](CC)CC)C1=O ZINC000071033343 176023891 /nfs/dbraw/zinc/02/38/91/176023891.db2.gz NQPIYNDNGHIBNH-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP CC[NH2+][C@H]1CCCN([C@@H](C)C[NH+]2CCCC2)C1=O ZINC000071033587 176024333 /nfs/dbraw/zinc/02/43/33/176024333.db2.gz CTBPKMRMOWLRFW-STQMWFEESA-N 2 0 253.390 1.071 10 0 CDAERP CC[NH2+][C@H]1CCN(C[C@H](C)[NH+]2CCCCC2)C1=O ZINC000071036386 176025427 /nfs/dbraw/zinc/02/54/27/176025427.db2.gz RBEJWGDMCMUVGJ-STQMWFEESA-N 2 0 253.390 1.071 10 0 CDAERP C[N@H+]1[C@@H]2CC[C@H]1CC(C[NH2+]Cc1cccc(C(N)=O)c1)C2 ZINC000071139047 176037578 /nfs/dbraw/zinc/03/75/78/176037578.db2.gz KWISBZFVBWRBKU-VHRNVKJDSA-N 2 0 287.407 1.748 10 0 CDAERP COc1cccc([C@H]([C@H](C)[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000071187942 176061888 /nfs/dbraw/zinc/06/18/88/176061888.db2.gz CRZNAOLQKLZAON-VBQJREDUSA-N 2 0 291.439 1.967 10 0 CDAERP CCC(CC)(C[NH2+]C)CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191518 176070847 /nfs/dbraw/zinc/07/08/47/176070847.db2.gz TVBPEFSDOPJJQR-CQSZACIVSA-N 2 0 255.450 1.896 10 0 CDAERP C[C@H](C[NH2+]C[C@@H]1CCCO1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192187 176073248 /nfs/dbraw/zinc/07/32/48/176073248.db2.gz QXNUSNFNOSODNU-KFWWJZLASA-N 2 0 269.433 1.027 10 0 CDAERP C[NH2+]Cc1ccccc1CN(C)C[C@H]1CC[N@H+](C)C1 ZINC000071192079 176073433 /nfs/dbraw/zinc/07/34/33/176073433.db2.gz RSULYOSHTMPYCF-AWEZNQCLSA-N 2 0 261.413 1.790 10 0 CDAERP C[C@H]1CCC[C@@H](C(=O)NCC[N@H+](C)C2CCCC2)[NH2+]1 ZINC000071379395 176143662 /nfs/dbraw/zinc/14/36/62/176143662.db2.gz JIICOOLBWNBJKT-JSGCOSHPSA-N 2 0 267.417 1.508 10 0 CDAERP C[NH2+][C@@H]1CCCCC[C@@H]1CN1CC[NH+](CC(C)(C)O)CC1 ZINC000071381771 176145773 /nfs/dbraw/zinc/14/57/73/176145773.db2.gz ZMJMGWIVVOQLSH-HZPDHXFCSA-N 2 0 297.487 1.543 10 0 CDAERP O[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C[NH+]1CCCCC1 ZINC000312644732 260187040 /nfs/dbraw/zinc/18/70/40/260187040.db2.gz IRCXMYDRRXOAKL-OWCLPIDISA-N 3 0 281.444 1.050 10 0 CDAERP CCC[N@H+](CCO[C@H]1CC1(F)F)C1CC[NH2+]CC1 ZINC000662263076 423807519 /nfs/dbraw/zinc/80/75/19/423807519.db2.gz KQHKNIHDVLKTQI-LBPRGKRZSA-N 2 0 262.344 1.875 10 0 CDAERP C[NH2+]CCC1CC[NH+](CCO[C@H]2CC2(F)F)CC1 ZINC000662265953 423813686 /nfs/dbraw/zinc/81/36/86/423813686.db2.gz UYLBIGFMEYIAQF-LBPRGKRZSA-N 2 0 262.344 1.732 10 0 CDAERP CCC[C@H](C)[C@H](CO)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000651893987 423863312 /nfs/dbraw/zinc/86/33/12/423863312.db2.gz NGAOZMKQUXMPIK-AJNGGQMLSA-N 2 0 254.418 2.000 10 0 CDAERP c1ccc2c(c1)OCC[C@H]2C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663497596 423889404 /nfs/dbraw/zinc/88/94/04/423889404.db2.gz HXBZGVKIOPAIAV-UYJPIKCFSA-N 2 0 258.365 1.894 10 0 CDAERP CN(Cc1nc2c(s1)C[NH2+]CC2)C1(C[NH3+])CCC1 ZINC000663493048 423882414 /nfs/dbraw/zinc/88/24/14/423882414.db2.gz FDPOCELZUUOHIU-UHFFFAOYSA-N 2 0 266.414 1.102 10 0 CDAERP CCC(=O)N1CCC([NH2+]CCC[N@H+](C)CC(C)C)CC1 ZINC000651865740 423828856 /nfs/dbraw/zinc/82/88/56/423828856.db2.gz GLHVHNFJPJBKRJ-UHFFFAOYSA-N 2 0 283.460 1.955 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)NCCC[NH2+]C1CC1 ZINC000652201091 424050179 /nfs/dbraw/zinc/05/01/79/424050179.db2.gz UKYUVGFZMIZMLW-UHFFFAOYSA-N 2 0 290.411 1.347 10 0 CDAERP CN(CCC[NH+]1CCCC1)C(=O)NCCC1(C[NH3+])CC1 ZINC000652235328 424111088 /nfs/dbraw/zinc/11/10/88/424111088.db2.gz BLPBUPNCDMWYRQ-UHFFFAOYSA-N 2 0 282.432 1.243 10 0 CDAERP [NH3+]CC1(CCNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000652243285 424116054 /nfs/dbraw/zinc/11/60/54/424116054.db2.gz LSDVMEDSJDIUEG-AWEZNQCLSA-N 2 0 294.443 1.385 10 0 CDAERP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NCCC1(C[NH3+])CC1 ZINC000659559678 424148663 /nfs/dbraw/zinc/14/86/63/424148663.db2.gz PLOXFTQQTVEMNP-AWEZNQCLSA-N 2 0 296.459 1.535 10 0 CDAERP CC(C)[NH2+]CCCNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653048555 424166008 /nfs/dbraw/zinc/16/60/08/424166008.db2.gz IEANPOYGLRPUMS-QWHCGFSZSA-N 2 0 253.390 1.021 10 0 CDAERP CC[NH2+]CC1CCN(C(=O)c2ccccc2CC[NH3+])CC1 ZINC000653054767 424181108 /nfs/dbraw/zinc/18/11/08/424181108.db2.gz RJGYNSOFNQCNHL-UHFFFAOYSA-N 2 0 289.423 1.650 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@@H+](CCN2C[C@@H](C)[NH+](CCO)C[C@@H]2C)C1 ZINC000660824997 424254349 /nfs/dbraw/zinc/25/43/49/424254349.db2.gz RTQVLYHFPWDRJS-VVLHAWIVSA-N 2 0 297.487 1.351 10 0 CDAERP O=C([C@@H]1CCC[NH2+]CC1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000653125883 424319898 /nfs/dbraw/zinc/31/98/98/424319898.db2.gz AWKQIPYKCBOZAY-ILXRZTDVSA-N 2 0 279.428 1.367 10 0 CDAERP CCC[NH2+][C@H](C)C(=O)NC(C)(C)C[N@H+](C)CCC ZINC000664718766 424324982 /nfs/dbraw/zinc/32/49/82/424324982.db2.gz JVPKOLDQAUWWDE-GFCCVEGCSA-N 2 0 257.422 1.611 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000659617950 424412718 /nfs/dbraw/zinc/41/27/18/424412718.db2.gz BWDNYNIGXOXXMM-IGQOVBAYSA-N 2 0 282.432 1.129 10 0 CDAERP CN(C(=O)C[C@@H]1[NH2+]Cc2ccccc21)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000659295008 424504454 /nfs/dbraw/zinc/50/44/54/424504454.db2.gz QMMKWKXLTVHJLC-WBVHZDCISA-N 2 0 299.418 1.916 10 0 CDAERP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655489641 424506423 /nfs/dbraw/zinc/50/64/23/424506423.db2.gz XKZNMPDEPDRVKQ-XQQFMLRXSA-N 2 0 269.433 1.467 10 0 CDAERP C[N@H+](CCCn1ccnc1)C[C@@H](O)CC(F)(F)F ZINC000189784872 270280420 /nfs/dbraw/zinc/28/04/20/270280420.db2.gz RYKLLTUJUDXKRF-JTQLQIEISA-N 2 0 265.279 1.518 10 0 CDAERP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1c2ccccc2C(=O)N1C ZINC000530222124 271163460 /nfs/dbraw/zinc/16/34/60/271163460.db2.gz FVVXMZPHYJUGLL-KCXAZCMYSA-N 2 0 287.407 1.791 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)C2([NH3+])CCCCC2)C1 ZINC000040503622 276166152 /nfs/dbraw/zinc/16/61/52/276166152.db2.gz OVHYVUQYSSCWSU-GFCCVEGCSA-N 2 0 253.390 1.249 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCN(C)C(=O)C2)[C@@H](C)C1 ZINC000424326103 276229835 /nfs/dbraw/zinc/22/98/35/276229835.db2.gz NHVROFGANUEYGB-IHRRRGAJSA-N 2 0 267.417 1.175 10 0 CDAERP CC(C)C[NH2+]CC[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001668259358 1173388189 /nfs/dbraw/zinc/38/81/89/1173388189.db2.gz WPDDNQFDCRPCCY-CQSZACIVSA-N 2 0 299.459 1.238 10 0 CDAERP COC(C)(C)CC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000336845208 277176051 /nfs/dbraw/zinc/17/60/51/277176051.db2.gz XYFPSMQJDXUPLG-MRXNPFEDSA-N 2 0 297.487 1.903 10 0 CDAERP CC(C)C[NH+]1CCC(NC(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000236772558 277385841 /nfs/dbraw/zinc/38/58/41/277385841.db2.gz DTPGUQUTQJJZSJ-STQMWFEESA-N 2 0 267.417 1.350 10 0 CDAERP C[C@@H]1CN(C(=O)[C@H](C[NH3+])c2ccc(F)cc2)C[C@@]1(C)C[NH3+] ZINC000417847026 287988118 /nfs/dbraw/zinc/98/81/18/287988118.db2.gz UNRYKKSAOYBYMO-DJSGYFEHSA-N 2 0 293.386 1.311 10 0 CDAERP C[C@]1(C(=O)NCCC[NH+]2CCCCC2)CCCC[NH2+]1 ZINC000136196151 278557166 /nfs/dbraw/zinc/55/71/66/278557166.db2.gz YJFDZIRYEFOGDS-OAHLLOKOSA-N 2 0 267.417 1.511 10 0 CDAERP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCCC[NH3+])[NH+](C)C ZINC000418174498 278955624 /nfs/dbraw/zinc/95/56/24/278955624.db2.gz FARRYJNRCDLACT-UKRRQHHQSA-N 2 0 292.427 1.634 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000105148536 278970455 /nfs/dbraw/zinc/97/04/55/278970455.db2.gz OHYACJBXRVPBDO-LSDHHAIUSA-N 2 0 298.475 1.698 10 0 CDAERP CC[N@H+](CC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)C1CC1 ZINC000152355446 279049372 /nfs/dbraw/zinc/04/93/72/279049372.db2.gz GCEVMEBQLAXZFB-INIZCTEOSA-N 2 0 293.455 1.948 10 0 CDAERP CC(C)C[C@H](CNC(=O)[C@H]1CCC[C@H]([NH3+])C1)[NH+](C)C ZINC000070577519 279160926 /nfs/dbraw/zinc/16/09/26/279160926.db2.gz FTRUENWOAMXSPJ-MELADBBJSA-N 2 0 269.433 1.596 10 0 CDAERP CC[NH+](CC)[C@H](C)CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339070184 279161449 /nfs/dbraw/zinc/16/14/49/279161449.db2.gz YXKQDXXLALQNRO-ILXRZTDVSA-N 2 0 253.434 1.933 10 0 CDAERP CCN(CC[NH2+]CC1CCC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001668381981 1173406160 /nfs/dbraw/zinc/40/61/60/1173406160.db2.gz PETJCEMDQDKHKC-CQSZACIVSA-N 2 0 267.417 1.319 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000195131381 280070953 /nfs/dbraw/zinc/07/09/53/280070953.db2.gz WLERAZPVFKZZGX-HNNXBMFYSA-N 2 0 294.443 1.254 10 0 CDAERP C[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1C)C[NH+]1CCCCC1 ZINC000195131939 280071000 /nfs/dbraw/zinc/07/10/00/280071000.db2.gz SQCBFKHRVHSZJF-CABCVRRESA-N 2 0 296.459 1.502 10 0 CDAERP CC(C)[C@H](CN[C@H](C1CC1)[C@H]1C[NH2+]CCO1)[NH+]1CCCC1 ZINC000422968769 280255134 /nfs/dbraw/zinc/25/51/34/280255134.db2.gz XOCOOFBXMVVXBL-GVDBMIGSSA-N 2 0 295.471 1.463 10 0 CDAERP CC1(C)CC([NH2+]C[C@@H]2C[NH2+]C[C@H]2O)CC(C)(C)C1 ZINC000262093772 280912961 /nfs/dbraw/zinc/91/29/61/280912961.db2.gz HLMAAPJBEJEPDM-WCQYABFASA-N 2 0 254.418 1.761 10 0 CDAERP CC1(C)CN(C(=O)NCC2([NH3+])CCCCC2)CC[C@H]1[NH3+] ZINC000334928002 281171418 /nfs/dbraw/zinc/17/14/18/281171418.db2.gz ZAHUPTUSCVZJIU-GFCCVEGCSA-N 2 0 282.432 1.417 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC[C@H]1CCC[NH+]1C ZINC000245645334 288313908 /nfs/dbraw/zinc/31/39/08/288313908.db2.gz SZYPTQVIXNIZGB-KFWWJZLASA-N 2 0 251.418 1.639 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000423400235 288323501 /nfs/dbraw/zinc/32/35/01/288323501.db2.gz QBWPKMVFDXCKSB-RKQHYHRCSA-N 2 0 252.402 1.778 10 0 CDAERP CC(=O)NC1CCC([NH2+][C@@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000155238085 289232235 /nfs/dbraw/zinc/23/22/35/289232235.db2.gz TXBJBEASESBCON-GALLPEHLSA-N 2 0 279.428 1.649 10 0 CDAERP C[C@@H](C[NH2+]C1CCN(C(N)=O)CC1)N1CCC[C@H](C)C1 ZINC000155950482 289254782 /nfs/dbraw/zinc/25/47/82/289254782.db2.gz XWDNSSCOPNAPNN-STQMWFEESA-N 2 0 282.432 1.240 10 0 CDAERP C[C@H](C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)C1C[NH2+]C1 ZINC000262562141 289354668 /nfs/dbraw/zinc/35/46/68/289354668.db2.gz QUYWARAUVUABNH-NHYWBVRUSA-N 2 0 293.386 1.400 10 0 CDAERP C[C@H](NC1CC([NH+]2CCCCC2)C1)[C@H]1CCC[NH2+]1 ZINC000423092200 289935344 /nfs/dbraw/zinc/93/53/44/289935344.db2.gz AXLURCUFHYNSMX-VXGQWTEUSA-N 2 0 251.418 1.733 10 0 CDAERP C[C@H]([NH2+][C@H]1CCCNC1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411512045 290046151 /nfs/dbraw/zinc/04/61/51/290046151.db2.gz AGBFNTVCZWKNLH-GUTXKFCHSA-N 2 0 279.428 1.508 10 0 CDAERP C[N@@H+]1CC[C@@H](NC(=O)NCC(C)(C)[NH3+])[C@H]1c1ccccc1 ZINC000417931736 290139553 /nfs/dbraw/zinc/13/95/53/290139553.db2.gz CGOIKEXXJBVKNU-ZIAGYGMSSA-N 2 0 290.411 1.468 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)CCO)[C@@H]2CCC[C@@H]21 ZINC000375860265 290215432 /nfs/dbraw/zinc/21/54/32/290215432.db2.gz HMJHWYOTZGIKAB-IHRRRGAJSA-N 2 0 254.418 1.857 10 0 CDAERP C[C@@H]1CC[N@H+](CCN[C@@H]2CC[NH+](C)[C@H]3CCC[C@H]32)C1 ZINC000556868891 290312725 /nfs/dbraw/zinc/31/27/25/290312725.db2.gz BRSLXYBBXGBWIU-QXSJWSMHSA-N 2 0 265.445 1.791 10 0 CDAERP CC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@@H](O)C(F)F ZINC000562675658 293171819 /nfs/dbraw/zinc/17/18/19/293171819.db2.gz RQXDAIPFHCFBNP-QWHCGFSZSA-N 2 0 276.371 1.855 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N(C)CCC[NH+]2CCCC2)C1 ZINC000568531266 294056247 /nfs/dbraw/zinc/05/62/47/294056247.db2.gz ZBUGKKZHAHLHDV-AWEZNQCLSA-N 2 0 267.417 1.273 10 0 CDAERP Cc1nn(C)c(C)c1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000570782432 294306282 /nfs/dbraw/zinc/30/62/82/294306282.db2.gz PEOFUPQAZWIJJQ-GWCFXTLKSA-N 2 0 250.390 1.515 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C3CCC3)C[C@H](C)C2)C1 ZINC000570982162 294346000 /nfs/dbraw/zinc/34/60/00/294346000.db2.gz BIXKSHPRNVQICY-GJZGRUSLSA-N 2 0 293.455 1.661 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH2+]C(C)C)[C@H](C)C1 ZINC000571169745 294381958 /nfs/dbraw/zinc/38/19/58/294381958.db2.gz ZCGLABYWYQHUAW-ZIAGYGMSSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)C[C@@H]([NH3+])c1noc(COC2CCC([NH3+])CC2)n1 ZINC000574277209 294976000 /nfs/dbraw/zinc/97/60/00/294976000.db2.gz SNOBYRVBCHDOLK-HTAVTVPLSA-N 2 0 282.388 1.902 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC000237956854 295322083 /nfs/dbraw/zinc/32/20/83/295322083.db2.gz NSLPJWOPTRHQQA-SOUVJXGZSA-N 2 0 279.428 1.448 10 0 CDAERP [NH3+][C@H]1CCC[C@@H](C(=O)N2CCC[N@@H+](C3CCCC3)CC2)C1 ZINC000262313814 295335473 /nfs/dbraw/zinc/33/54/73/295335473.db2.gz TYCCUEKRIFQESC-CABCVRRESA-N 2 0 293.455 1.981 10 0 CDAERP [NH3+][C@H]1CCC[C@H](C(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000062034736 295337174 /nfs/dbraw/zinc/33/71/74/295337174.db2.gz NWNKIPSENVWFAS-HOTGVXAUSA-N 2 0 293.455 1.838 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCC1CC[NH2+]CC1 ZINC000094461253 297096129 /nfs/dbraw/zinc/09/61/29/297096129.db2.gz HGUXHMTXXGMPCS-UKRRQHHQSA-N 2 0 251.418 1.545 10 0 CDAERP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000335906729 297250042 /nfs/dbraw/zinc/25/00/42/297250042.db2.gz RYGZYMYPWREPIB-OLZOCXBDSA-N 2 0 287.407 1.184 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)CC[C@@H]2CC[NH2+]C2)CC[N@@H+]1C ZINC000261875353 297256705 /nfs/dbraw/zinc/25/67/05/297256705.db2.gz RDJBITKMESKNPA-MCIONIFRSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@H]1COCC[C@H]1[NH2+]CCC[NH2+][C@H]1CCOC[C@H]1C ZINC000433155833 300357505 /nfs/dbraw/zinc/35/75/05/300357505.db2.gz ZKIJNMOROGGFNT-PYHGIMPFSA-N 2 0 270.417 1.406 10 0 CDAERP C[C@]([NH3+])(C(=O)N1CC[C@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000261649340 300723485 /nfs/dbraw/zinc/72/34/85/300723485.db2.gz AJFKCGNRROGNIR-XJKSGUPXSA-N 2 0 275.396 1.446 10 0 CDAERP CC(C)N1C(=O)CN(CCCc2cncn2C)CC1(C)C ZINC000577001616 317247513 /nfs/dbraw/zinc/24/75/13/317247513.db2.gz YEFKWXFCCZWKFT-UHFFFAOYSA-N 2 0 292.427 1.684 10 0 CDAERP [NH3+]CCN(CCc1ccccc1)C(=O)CC[NH2+]C1CC1 ZINC000577529220 317351727 /nfs/dbraw/zinc/35/17/27/317351727.db2.gz PRIMKYKHMKSPPW-UHFFFAOYSA-N 2 0 275.396 1.159 10 0 CDAERP CC[NH2+]CCCNC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000577712186 317386130 /nfs/dbraw/zinc/38/61/30/317386130.db2.gz BAWRQNOZFHHRLZ-KBPBESRZSA-N 2 0 284.448 1.548 10 0 CDAERP CC(C)C[C@H]([NH3+])c1noc([C@H]2C[C@]23CC[NH2+]C3)n1 ZINC000577750582 317398713 /nfs/dbraw/zinc/39/87/13/317398713.db2.gz MOICHPOVZBWKOY-NRUUGDAUSA-N 2 0 250.346 1.583 10 0 CDAERP [NH3+]CCCCC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000579935468 324319107 /nfs/dbraw/zinc/31/91/07/324319107.db2.gz UPGCUHKCVWTPTO-UHFFFAOYSA-N 2 0 263.385 1.145 10 0 CDAERP CCN(CC[NH2+]Cc1cnoc1C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001699195719 1159329489 /nfs/dbraw/zinc/32/94/89/1159329489.db2.gz CTGANEYVGVJWHZ-CQSZACIVSA-N 2 0 294.399 1.015 10 0 CDAERP CC[C@@H](C)C[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001267415278 1159372310 /nfs/dbraw/zinc/37/23/10/1159372310.db2.gz FPBRNQTWMINMRI-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)[NH2+]CCCF ZINC001732221533 1159755793 /nfs/dbraw/zinc/75/57/93/1159755793.db2.gz KDDKHUXYPXALAJ-UONOGXRCSA-N 2 0 287.423 1.705 10 0 CDAERP CCCC[NH2+]C[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001482102446 1159980679 /nfs/dbraw/zinc/98/06/79/1159980679.db2.gz SUCYBSPGVUMEQQ-ZFWWWQNUSA-N 2 0 281.444 1.470 10 0 CDAERP C[C@H](CNC(=O)C12CCC[NH+]1CCC2)C[NH2+]CC[C@H](C)F ZINC001482118662 1159984008 /nfs/dbraw/zinc/98/40/08/1159984008.db2.gz ZRNRUHONVWTYJD-KBPBESRZSA-N 2 0 299.434 1.705 10 0 CDAERP CC(C)[NH+]1CC([C@H](C)NC(=O)CCCC[NH+](C)C)C1 ZINC001700555820 1177012393 /nfs/dbraw/zinc/01/23/93/1177012393.db2.gz UFEQHUGCCKWNJN-ZDUSSCGKSA-N 2 0 269.433 1.563 10 0 CDAERP CCN(CC[NH2+]CC[C@@H](C)F)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001732773914 1160207688 /nfs/dbraw/zinc/20/76/88/1160207688.db2.gz IQABCGKDVALVNV-MGPQQGTHSA-N 2 0 287.423 1.513 10 0 CDAERP C[N@@H+](Cc1cccc2c1CC[NH2+]C2)C[C@@H]1CCOC1 ZINC000398951408 482251701 /nfs/dbraw/zinc/25/17/01/482251701.db2.gz PPNDYCQINYXBSW-ZDUSSCGKSA-N 2 0 260.381 1.801 10 0 CDAERP c1ccc2c(c1)CCCN2CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000677761613 482267665 /nfs/dbraw/zinc/26/76/65/482267665.db2.gz QQWJPUTXGJQYLU-IYBDPMFKSA-N 2 0 271.408 1.590 10 0 CDAERP C[C@H](CCO)[N@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000668291933 482349638 /nfs/dbraw/zinc/34/96/38/482349638.db2.gz YRRQFIPAZQNWFL-GFCCVEGCSA-N 2 0 260.341 1.470 10 0 CDAERP C[C@@H](Cc1ccco1)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000668302387 482362918 /nfs/dbraw/zinc/36/29/18/482362918.db2.gz GCVOOPVPCOVQFE-AWEZNQCLSA-N 2 0 295.427 1.410 10 0 CDAERP CC(C)OC1CC([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)C1 ZINC000668474711 482449950 /nfs/dbraw/zinc/44/99/50/482449950.db2.gz FKPYLYAUOIOAJM-FHERZECASA-N 2 0 285.476 1.804 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)CC2([NH3+])CCC2)cc1 ZINC000669512539 482527179 /nfs/dbraw/zinc/52/71/79/482527179.db2.gz YADFQKGETYQDCO-LLVKDONJSA-N 2 0 261.369 1.594 10 0 CDAERP CC(C)[C@H]1CN(C(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CC[NH2+]1 ZINC000669514727 482535723 /nfs/dbraw/zinc/53/57/23/482535723.db2.gz CRAVBULMBQMWAR-LSDHHAIUSA-N 2 0 293.386 1.324 10 0 CDAERP CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000669529822 482598520 /nfs/dbraw/zinc/59/85/20/482598520.db2.gz DKTNQSPYBUUHIN-MCIONIFRSA-N 2 0 282.432 1.158 10 0 CDAERP COC[C@@H](C)C[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000682158232 482614768 /nfs/dbraw/zinc/61/47/68/482614768.db2.gz IZFHLMKEEIDKSV-UONOGXRCSA-N 2 0 269.433 1.027 10 0 CDAERP C[C@@H](CO)C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000684211633 482704879 /nfs/dbraw/zinc/70/48/79/482704879.db2.gz GKVZSJZXGPZTQP-OIISXLGYSA-N 2 0 274.408 1.679 10 0 CDAERP O=C(NC[C@H]1CCCC[NH2+]1)NC1CC([NH+]2CCCCC2)C1 ZINC000669575262 482779056 /nfs/dbraw/zinc/77/90/56/482779056.db2.gz ZEVXKIQCPSFSFY-WLYUNCDWSA-N 2 0 294.443 1.445 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000656202084 482789444 /nfs/dbraw/zinc/78/94/44/482789444.db2.gz XZTSVMMSOBLOLA-SOUVJXGZSA-N 2 0 269.433 1.347 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+]C[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656201340 482791476 /nfs/dbraw/zinc/79/14/76/482791476.db2.gz WALKDBQRJUKEGU-BARDWOONSA-N 2 0 271.449 1.591 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCC[NH+](C)C2)C[C@@H]1C ZINC000674028824 482926211 /nfs/dbraw/zinc/92/62/11/482926211.db2.gz LPUNWSVJGWMGAR-KKUMJFAQSA-N 2 0 296.459 1.595 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000251124431 483036020 /nfs/dbraw/zinc/03/60/20/483036020.db2.gz RXJYMWGRRBEEDS-HZSPNIEDSA-N 2 0 267.417 1.352 10 0 CDAERP C[NH+](C)CC1CCN(C(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089457912 483080914 /nfs/dbraw/zinc/08/09/14/483080914.db2.gz BGERSDPTQWQTGL-KBPBESRZSA-N 2 0 267.417 1.162 10 0 CDAERP [NH3+]C[C@H]1CCC[C@@H]1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000089457917 483081094 /nfs/dbraw/zinc/08/10/94/483081094.db2.gz GQNCDZDLXJHPPC-CVEARBPZSA-N 2 0 293.455 1.696 10 0 CDAERP CN(CC[NH+]1CCCC1)Cc1ccnn1-c1cc[nH+]cc1 ZINC000668160205 483096340 /nfs/dbraw/zinc/09/63/40/483096340.db2.gz VXLAKGFJMNEOLK-UHFFFAOYSA-N 2 0 285.395 1.795 10 0 CDAERP C[C@@H](NC(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[C@H](C)[NH3+] ZINC000667148606 483110614 /nfs/dbraw/zinc/11/06/14/483110614.db2.gz GUNPETMVGBUFDP-VHSXEESVSA-N 2 0 274.328 1.125 10 0 CDAERP C[NH2+][C@H](C)C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000390808344 483140015 /nfs/dbraw/zinc/14/00/15/483140015.db2.gz OGTGGDGUEQAMCF-IIAWOOMASA-N 2 0 289.423 1.621 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000136408053 483402479 /nfs/dbraw/zinc/40/24/79/483402479.db2.gz IFFIFCOSQOULQY-HNNXBMFYSA-N 2 0 283.460 1.939 10 0 CDAERP C[NH+]1CCC(C)(C[NH2+][C@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667959017 483494423 /nfs/dbraw/zinc/49/44/23/483494423.db2.gz BHLNZSQYAXFLSP-KGLIPLIRSA-N 2 0 252.402 1.875 10 0 CDAERP COC[C@@H](C)C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000683363346 483497070 /nfs/dbraw/zinc/49/70/70/483497070.db2.gz OSLGGVMVZAZFQG-KBPBESRZSA-N 2 0 258.406 1.359 10 0 CDAERP CC[C@@H]1C[C@H]([NH2+]CC(=O)NCC[NH+]2CCCCCC2)CO1 ZINC000668189935 483604116 /nfs/dbraw/zinc/60/41/16/483604116.db2.gz URGRSQYJUKVECY-LSDHHAIUSA-N 2 0 297.443 1.136 10 0 CDAERP CCC[NH2+]CC[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001482903068 1160642892 /nfs/dbraw/zinc/64/28/92/1160642892.db2.gz WQOIHQJJSNXAKX-CQSZACIVSA-N 2 0 269.433 1.757 10 0 CDAERP CC(C)CC[NH2+]CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001691556267 1160700603 /nfs/dbraw/zinc/70/06/03/1160700603.db2.gz SBALMJNURHBUML-CQSZACIVSA-N 2 0 269.433 1.422 10 0 CDAERP C(CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)C[NH+]1CCCC1 ZINC000049333927 518384996 /nfs/dbraw/zinc/38/49/96/518384996.db2.gz WOVJXOUPNYAUOG-HOTGVXAUSA-N 2 0 265.445 1.936 10 0 CDAERP CC(C)CN(CC[NH+](C)C)Cc1cc(C[NH3+])co1 ZINC000052503355 519716601 /nfs/dbraw/zinc/71/66/01/519716601.db2.gz BRLFNAAGNZVVGT-UHFFFAOYSA-N 2 0 253.390 1.758 10 0 CDAERP CC(C)[NH2+][C@@](C)(C[C@@H](C)N1CCC([NH+](C)C)CC1)C(N)=O ZINC000068625373 519736609 /nfs/dbraw/zinc/73/66/09/519736609.db2.gz IVAFEPUNSYQYCE-CJNGLKHVSA-N 2 0 298.475 1.033 10 0 CDAERP CCC[NH2+]Cc1cc(C[N@H+](CCCOC)CCOC)on1 ZINC000052543254 519945395 /nfs/dbraw/zinc/94/53/95/519945395.db2.gz CSVKUWKGIWDXJA-UHFFFAOYSA-N 2 0 299.415 1.659 10 0 CDAERP CCC[NH2+]Cc1ccnc(CC[NH+](CC)CC)n1 ZINC000054791520 519959191 /nfs/dbraw/zinc/95/91/91/519959191.db2.gz VJHZAKOOFHQZDL-UHFFFAOYSA-N 2 0 250.390 1.861 10 0 CDAERP CC[NH2+]Cc1cc(CN2CCC[C@H]2C[NH+](C)C)on1 ZINC000061654425 519987442 /nfs/dbraw/zinc/98/74/42/519987442.db2.gz CQPGGBWOIKMPGB-ZDUSSCGKSA-N 2 0 266.389 1.310 10 0 CDAERP CC[NH+](CC)CCOC[C@@H]1CC[C@H](C[NH2+]C(C)C)O1 ZINC000052672015 520694526 /nfs/dbraw/zinc/69/45/26/520694526.db2.gz SXVAKQWJPYWOBI-CABCVRRESA-N 2 0 272.433 1.890 10 0 CDAERP O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@H](CC[NH2+]CCF)C1 ZINC001672795608 1161400027 /nfs/dbraw/zinc/40/00/27/1161400027.db2.gz GBZFEJZUSGOIHC-ZFWWWQNUSA-N 2 0 297.418 1.126 10 0 CDAERP CCOC1CC[NH+](Cc2ccnc(C(N)=[NH2+])c2)CC1 ZINC000068761289 521657085 /nfs/dbraw/zinc/65/70/85/521657085.db2.gz DQYGJLSYTAXJTB-UHFFFAOYSA-N 2 0 262.357 1.367 10 0 CDAERP CCCN(CC[NH+](C)C)c1nc(C)c(C[NH2+]C)s1 ZINC000055000577 521658626 /nfs/dbraw/zinc/65/86/26/521658626.db2.gz BKZRAJZCUBBHKG-UHFFFAOYSA-N 2 0 270.446 1.949 10 0 CDAERP CC[N@@H+]1CC[C@H](C[NH2+]CCOCC(F)(F)F)C1 ZINC000049310997 521717419 /nfs/dbraw/zinc/71/74/19/521717419.db2.gz IAZSLSZKZUEHLL-SNVBAGLBSA-N 2 0 254.296 1.497 10 0 CDAERP CC(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000236713695 519653776 /nfs/dbraw/zinc/65/37/76/519653776.db2.gz WFSQVCGLHXOUBZ-CVEARBPZSA-N 2 0 295.471 1.988 10 0 CDAERP CC(C)[NH2+]CCCC(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000061645116 519720460 /nfs/dbraw/zinc/72/04/60/519720460.db2.gz UFGAAYITINQVAV-CYBMUJFWSA-N 2 0 255.406 1.317 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CC[C@@H](C[N@@H+]2CCOC(C)(C)C2)O1 ZINC000052481892 519723839 /nfs/dbraw/zinc/72/38/39/519723839.db2.gz GVMRTORFOBNSMR-KBPBESRZSA-N 2 0 270.417 1.643 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)[C@H]2CC[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000055132166 519724677 /nfs/dbraw/zinc/72/46/77/519724677.db2.gz QLAHFXPIZJAVQW-KKUMJFAQSA-N 2 0 281.444 1.550 10 0 CDAERP CC(C)OC[C@@H](C)[NH2+]CCCC[NH+]1CCOCC1 ZINC000337348092 519770500 /nfs/dbraw/zinc/77/05/00/519770500.db2.gz YJRCFNWWECCUQX-CQSZACIVSA-N 2 0 258.406 1.502 10 0 CDAERP CCC[NH+]1CCN(c2ncc([C@H](C)[NH3+])s2)CC1 ZINC000054863941 519860627 /nfs/dbraw/zinc/86/06/27/519860627.db2.gz SHAIYXDSGLKOLD-JTQLQIEISA-N 2 0 254.403 1.695 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@@H](CN2CC[NH+](C(C)(C)C)CC2)O1 ZINC000052571696 519939254 /nfs/dbraw/zinc/93/92/54/519939254.db2.gz VSZDDLBUQKSOBN-CVEARBPZSA-N 2 0 297.487 1.950 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](CCOC)[C@@H](C)C2CC2)O1 ZINC000052545445 519950926 /nfs/dbraw/zinc/95/09/26/519950926.db2.gz LXEDRFVSMMXBLY-BPUTZDHNSA-N 2 0 284.444 1.890 10 0 CDAERP CCC[NH2+]Cc1cn(CC[N@H+](CC)[C@@H](C)COC)nn1 ZINC000052504871 519962617 /nfs/dbraw/zinc/96/26/17/519962617.db2.gz XXYNDGKRYXCAGC-ZDUSSCGKSA-N 2 0 283.420 1.135 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)CCc2ccccn2)O1 ZINC000052423964 519978163 /nfs/dbraw/zinc/97/81/63/519978163.db2.gz WKCJBZGFSRAWKS-CVEARBPZSA-N 2 0 277.412 1.713 10 0 CDAERP CCOC[C@@H](O)C[NH+]1CCC(C[NH2+]CC(C)C)CC1 ZINC000069280313 520093764 /nfs/dbraw/zinc/09/37/64/520093764.db2.gz NMDCDEBRXWUNMN-HNNXBMFYSA-N 2 0 272.433 1.341 10 0 CDAERP CC[NH2+][C@@H](CN(CC[NH+](C)C)CC(C)C)C1CC1 ZINC000069074581 520097322 /nfs/dbraw/zinc/09/73/22/520097322.db2.gz XRSFIPFIQAVQKT-HNNXBMFYSA-N 2 0 255.450 1.894 10 0 CDAERP CC[NH+](CC)CCNC(=O)[C@@H]1CCC[C@H](C[NH3+])C1 ZINC000055145546 520678548 /nfs/dbraw/zinc/67/85/48/520678548.db2.gz IETYQJRPKLEYDJ-QWHCGFSZSA-N 2 0 255.406 1.210 10 0 CDAERP CCC[C@@]1(C(=O)NC[C@@H](C(C)C)[NH+](C)C)CC[NH2+]C1 ZINC000062899669 520942914 /nfs/dbraw/zinc/94/29/14/520942914.db2.gz YOQGQOZJNUMYLO-DZGCQCFKSA-N 2 0 269.433 1.469 10 0 CDAERP CCC(CC)[C@@H](CNC(=O)C[NH2+]C)[NH+]1CCCC1 ZINC000236662903 521602404 /nfs/dbraw/zinc/60/24/04/521602404.db2.gz HNPQJDCAAPRXOL-CYBMUJFWSA-N 2 0 255.406 1.223 10 0 CDAERP CCC1(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)CC[NH2+]CC1 ZINC000062849733 521667026 /nfs/dbraw/zinc/66/70/26/521667026.db2.gz VNJAAHUEOZQWBX-CQSZACIVSA-N 2 0 283.460 1.859 10 0 CDAERP CN(CC[NH+](C)C)[C@@H](C[NH3+])c1cccc2cccnc21 ZINC000069502830 521748821 /nfs/dbraw/zinc/74/88/21/521748821.db2.gz DBVFZFPXAZFEFF-HNNXBMFYSA-N 2 0 272.396 1.728 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1CCOc1cccc(C[NH3+])c1 ZINC000061642581 521836567 /nfs/dbraw/zinc/83/65/67/521836567.db2.gz KCVJXHPRLOTLHD-HNNXBMFYSA-N 2 0 277.412 1.550 10 0 CDAERP CN(C)C[C@@H]1CCC[N@@H+]1CCC[C@@H]1CCCC[NH2+]1 ZINC000061652453 521839106 /nfs/dbraw/zinc/83/91/06/521839106.db2.gz OYPQXZHOYJUXTB-GJZGRUSLSA-N 2 0 253.434 1.935 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)C[C@H]1CCCC[NH2+]1 ZINC000061652092 521862349 /nfs/dbraw/zinc/86/23/49/521862349.db2.gz VFFGSNDIRGWNJO-CHWSQXEVSA-N 2 0 253.390 1.071 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)[C@H](C[NH3+])Cc1ccccc1 ZINC000061644084 521863780 /nfs/dbraw/zinc/86/37/80/521863780.db2.gz GPLFMCOKSVZSQU-JKSUJKDBSA-N 2 0 289.423 1.357 10 0 CDAERP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2CCC[N@@H+]2C)c1 ZINC000155964069 521917997 /nfs/dbraw/zinc/91/79/97/521917997.db2.gz XFZVIVJPIWYTMD-HNNXBMFYSA-N 2 0 275.396 1.572 10 0 CDAERP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCc1nccn1C ZINC000054602459 521953998 /nfs/dbraw/zinc/95/39/98/521953998.db2.gz LPCSTKHOUQUGGD-AGUYFDCRSA-N 2 0 262.401 1.568 10 0 CDAERP C[NH+](C)[C@@H]1CCN(CCC(=O)Nc2ccccc2C[NH3+])C1 ZINC000062964453 522052093 /nfs/dbraw/zinc/05/20/93/522052093.db2.gz JZRDOWQYJPJQBN-CQSZACIVSA-N 2 0 290.411 1.110 10 0 CDAERP C[NH2+]Cc1cc(N2CC[NH+](CC3CC3)CC2)ccn1 ZINC000051521410 522113705 /nfs/dbraw/zinc/11/37/05/522113705.db2.gz DWLGKBQKURKWBT-UHFFFAOYSA-N 2 0 260.385 1.333 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)c2cccc(CC[NH3+])c2)CC1 ZINC000055064288 522115231 /nfs/dbraw/zinc/11/52/31/522115231.db2.gz FBFICRAGQKCVQB-CQSZACIVSA-N 2 0 289.423 1.744 10 0 CDAERP C[NH2+]Cc1ccc(CN2CCC([NH+](C)C)CC2)o1 ZINC000052477632 522118236 /nfs/dbraw/zinc/11/82/36/522118236.db2.gz UKVGZHLOGYWJSB-UHFFFAOYSA-N 2 0 251.374 1.525 10 0 CDAERP CC[C@@H](C)[NH+]1CCN([C@@]2(C[NH3+])CC[N@@H+](C(C)C)C2)CC1 ZINC000055064457 522132286 /nfs/dbraw/zinc/13/22/86/522132286.db2.gz QNMRKERDYUZBGE-HZPDHXFCSA-N 3 0 282.476 1.214 10 0 CDAERP C[NH2+]Cc1cccc(OCC[N@H+](C)[C@H](C)COC)c1 ZINC000052511636 522132844 /nfs/dbraw/zinc/13/28/44/522132844.db2.gz AZSJKRCREDRGTQ-CYBMUJFWSA-N 2 0 266.385 1.752 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(c2cc(C[NH2+]C)ccn2)CC1 ZINC000055073471 522134167 /nfs/dbraw/zinc/13/41/67/522134167.db2.gz QHRNIUPAKLJKEW-CYBMUJFWSA-N 2 0 262.401 1.722 10 0 CDAERP C[NH2+]Cc1cn(CC[NH+](CC(C)C)CC(C)C)nn1 ZINC000052484947 522143324 /nfs/dbraw/zinc/14/33/24/522143324.db2.gz TTWRKTXNVIYKQO-UHFFFAOYSA-N 2 0 267.421 1.612 10 0 CDAERP CC[C@@H](CC[NH3+])[N@@H+]1CCCN(c2ncccc2F)CC1 ZINC000054700367 522496801 /nfs/dbraw/zinc/49/68/01/522496801.db2.gz VINPIWNQUVXHHK-ZDUSSCGKSA-N 2 0 280.391 1.860 10 0 CDAERP CC[C@H]1CC[C@@H]([NH2+]C)[C@H](N2CCN(CC[NH+](C)C)CC2)C1 ZINC000061643852 523185608 /nfs/dbraw/zinc/18/56/08/523185608.db2.gz LPTQFKUURGIXIF-GVDBMIGSSA-N 2 0 296.503 1.332 10 0 CDAERP COCCC[N@H+](CCC[NH2+]CC(C)C)CCOC ZINC000052543228 523241013 /nfs/dbraw/zinc/24/10/13/523241013.db2.gz CYYDSHKJPDELFO-UHFFFAOYSA-N 2 0 260.422 1.607 10 0 CDAERP COCC[N@H+](CCCC[NH2+]CC(C)C)[C@H](C)COC ZINC000052572261 523692661 /nfs/dbraw/zinc/69/26/61/523692661.db2.gz BFEFGORYXLZDRL-OAHLLOKOSA-N 2 0 274.449 1.996 10 0 CDAERP COCC[NH+](CCOC)C[C@@H]1C[C@@H](C(C)C)CC[C@@H]1[NH3+] ZINC000054560426 523715706 /nfs/dbraw/zinc/71/57/06/523715706.db2.gz GVQMSXGMXANAJC-JYJNAYRXSA-N 2 0 286.460 1.981 10 0 CDAERP COCC[N@H+](Cc1ccoc1C[NH3+])[C@@H](C)COC ZINC000052572354 523770727 /nfs/dbraw/zinc/77/07/27/523770727.db2.gz USAXPISIZZCFBX-NSHDSACASA-N 2 0 256.346 1.222 10 0 CDAERP C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@H](CC[NH3+])C2)CC1 ZINC000055146961 523774730 /nfs/dbraw/zinc/77/47/30/523774730.db2.gz REKRILJEDMRMFB-CHWSQXEVSA-N 2 0 267.417 1.352 10 0 CDAERP C[N@@H+]1CCCN(CC2(C[NH2+]C3CC3)CCOCC2)CC1 ZINC000052181076 523806823 /nfs/dbraw/zinc/80/68/23/523806823.db2.gz BRESJFQZEAOSKF-UHFFFAOYSA-N 2 0 281.444 1.173 10 0 CDAERP COCC[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000069311248 523936146 /nfs/dbraw/zinc/93/61/46/523936146.db2.gz HLRMNFQUXMXHKH-UHFFFAOYSA-N 2 0 256.390 1.113 10 0 CDAERP COCC[NH2+]Cc1cc(OC)ccc1OCC[NH+](C)C ZINC000062727688 523950451 /nfs/dbraw/zinc/95/04/51/523950451.db2.gz VQFFMJNNFUOAJS-UHFFFAOYSA-N 2 0 282.384 1.372 10 0 CDAERP CC[C@H](C)[NH+]1CCN([C@H](C[NH3+])c2ccncc2)CC1 ZINC000055064111 523959787 /nfs/dbraw/zinc/95/97/87/523959787.db2.gz IQHHDBYXSOGKCH-DZGCQCFKSA-N 2 0 262.401 1.498 10 0 CDAERP C[N@H+]1[C@@H]2CC[C@H]1CC(CNC(=O)CC[C@@H]1CCCC[NH2+]1)C2 ZINC000050948226 524031021 /nfs/dbraw/zinc/03/10/21/524031021.db2.gz NKANVWGDFAKHGQ-PNRVRQOCSA-N 2 0 293.455 1.898 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@H]2CCC[C@H](C[NH3+])C2)CC1 ZINC000055147408 524038873 /nfs/dbraw/zinc/03/88/73/524038873.db2.gz BKEXHADCPCTMPW-STQMWFEESA-N 2 0 267.417 1.304 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@@H]2CCC[C@H](CC[NH3+])C2)CC1 ZINC000055147417 524038930 /nfs/dbraw/zinc/03/89/30/524038930.db2.gz UPXWJEASYDNKGG-ZIAGYGMSSA-N 2 0 281.444 1.694 10 0 CDAERP C[C@H]1CCC[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2C)[C@@H]1[NH3+] ZINC000055138654 524126871 /nfs/dbraw/zinc/12/68/71/524126871.db2.gz AGFWLNLKEYSWQF-IGQOVBAYSA-N 2 0 267.417 1.350 10 0 CDAERP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1C[NH2+]C1 ZINC000164017871 524229657 /nfs/dbraw/zinc/22/96/57/524229657.db2.gz RITYQXFNNPNZQB-CZUORRHYSA-N 2 0 287.407 1.233 10 0 CDAERP C[C@H]1CC[C@@H]([NH3+])C[C@@H]1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000055123276 524360717 /nfs/dbraw/zinc/36/07/17/524360717.db2.gz HTXOAWVBPFCAAD-SCRDCRAPSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000055138526 524391470 /nfs/dbraw/zinc/39/14/70/524391470.db2.gz OJZUFVQDVAPWKJ-ZOBORPQBSA-N 2 0 267.417 1.208 10 0 CDAERP C[C@@H]1CCC[C@](C[NH3+])(N2CCN(CC[NH+](C)C)CC2)C1 ZINC000061643190 524428160 /nfs/dbraw/zinc/42/81/60/524428160.db2.gz GJXHWPPFOBEYPY-CVEARBPZSA-N 2 0 282.476 1.073 10 0 CDAERP C[C@@H](CC[NH+](C)C)NC(=O)[C@H]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000055140889 524472601 /nfs/dbraw/zinc/47/26/01/524472601.db2.gz AXPQWQWLWMZFSY-RVMXOQNASA-N 2 0 255.406 1.206 10 0 CDAERP C[C@@H]1CC[C@@H](C(=O)NCCCC[NH+](C)C)C[C@@H]1[NH3+] ZINC000055138927 524557855 /nfs/dbraw/zinc/55/78/55/524557855.db2.gz DUCVBVNTJCRQBO-UPJWGTAASA-N 2 0 255.406 1.208 10 0 CDAERP C[C@@H](C[NH+]1CCCC1)NC(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050951149 524590619 /nfs/dbraw/zinc/59/06/19/524590619.db2.gz UQVFGZGTSBLIAH-UONOGXRCSA-N 2 0 267.417 1.509 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@H]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC000055141874 524604190 /nfs/dbraw/zinc/60/41/90/524604190.db2.gz YVLKQTZFXXQORK-QPSCCSFWSA-N 2 0 281.444 1.741 10 0 CDAERP C[C@@H]1CC[C@H](C[NH3+])[C@H]([N@@H+]2CCC[C@@H]2CCCO)C1 ZINC000052758174 524672917 /nfs/dbraw/zinc/67/29/17/524672917.db2.gz RGHFNRCPJQCNJY-KBUPBQIOSA-N 2 0 254.418 1.987 10 0 CDAERP C[C@@H]([NH3+])c1cnc(N2CCC[C@@H]2C[NH+](C)C)s1 ZINC000061655483 525031838 /nfs/dbraw/zinc/03/18/38/525031838.db2.gz QJPPATOAVBWNJM-NXEZZACHSA-N 2 0 254.403 1.693 10 0 CDAERP C[C@H](CC(=O)N1CC[N@@H+]2CCC[C@H]2C1)C1CC[NH2+]CC1 ZINC000246515508 526229763 /nfs/dbraw/zinc/22/97/63/526229763.db2.gz QUTJQMJWFPJGBJ-HIFRSBDPSA-N 2 0 279.428 1.319 10 0 CDAERP O=C(CC[C@@H]1CCCC[NH2+]1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000050946922 526546859 /nfs/dbraw/zinc/54/68/59/526546859.db2.gz IDLRZGDMFGKMER-UONOGXRCSA-N 2 0 265.401 1.215 10 0 CDAERP [NH3+]CCCCC[NH+]1CCN(c2ncnc3c2CCC3)CC1 ZINC000061276310 527173672 /nfs/dbraw/zinc/17/36/72/527173672.db2.gz ZMDQHWDPSUONOG-UHFFFAOYSA-N 2 0 289.427 1.216 10 0 CDAERP [NH3+]CCC[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000051356168 527180143 /nfs/dbraw/zinc/18/01/43/527180143.db2.gz JVEVYGXFVPMRLU-NSHDSACASA-N 2 0 262.275 1.677 10 0 CDAERP [NH3+]CCN(CC[NH3+])c1ncc(C(F)(F)F)cc1Cl ZINC000061806708 527185196 /nfs/dbraw/zinc/18/51/96/527185196.db2.gz XADMVOWLFYTYHO-UHFFFAOYSA-N 2 0 282.697 1.478 10 0 CDAERP [NH3+]C[C@@H](CCc1ccccc1)N1CC[NH+](C2CC2)CC1 ZINC000061624942 527202709 /nfs/dbraw/zinc/20/27/09/527202709.db2.gz BNDMVVCDPDGTQT-QGZVFWFLSA-N 2 0 273.424 1.727 10 0 CDAERP [NH3+][C@@H](CC[N@@H+]1CC[C@H](O)C1)c1cccc(Br)c1 ZINC000061712031 527330594 /nfs/dbraw/zinc/33/05/94/527330594.db2.gz LEFHIAUIYQPTQT-STQMWFEESA-N 2 0 299.212 1.906 10 0 CDAERP CCC[NH+]1CCC(C[NH2+]Cc2cc(C)nn2C)CC1 ZINC000417917976 528187866 /nfs/dbraw/zinc/18/78/66/528187866.db2.gz XPFQQNGVKAEENJ-UHFFFAOYSA-N 2 0 264.417 1.940 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)[C@H](C)[NH3+])C1 ZINC000418705957 535256276 /nfs/dbraw/zinc/25/62/76/535256276.db2.gz SCBQHECMCZHMRJ-XQQFMLRXSA-N 2 0 270.421 1.095 10 0 CDAERP CC[C@@H]([NH2+][C@H](CCC[NH3+])COC)c1c(C)nn(C)c1C ZINC000422799750 535808892 /nfs/dbraw/zinc/80/88/92/535808892.db2.gz YGKLYWZLBSZCMT-ZIAGYGMSSA-N 2 0 282.432 1.832 10 0 CDAERP C[NH+](C)CCCC[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000234249379 535831894 /nfs/dbraw/zinc/83/18/94/535831894.db2.gz IVHWLJHDDKJCLM-UHFFFAOYSA-N 2 0 253.394 1.465 10 0 CDAERP Cn1cc([C@H](O)C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)cn1 ZINC000925515874 617424562 /nfs/dbraw/zinc/42/45/62/617424562.db2.gz JOCMYNZBTIJUQK-ARFHVFGLSA-N 2 0 292.427 1.211 10 0 CDAERP CCNC(=O)N1CC[C@@H]([NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000925586430 617534140 /nfs/dbraw/zinc/53/41/40/617534140.db2.gz DNHSHCQRUYQABA-MQYQWHSLSA-N 2 0 294.443 1.156 10 0 CDAERP CN(C)C(=O)CCC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925588750 617535317 /nfs/dbraw/zinc/53/53/17/617535317.db2.gz ZEOKKGIXNPEOAV-VXGBXAGGSA-N 2 0 255.406 1.350 10 0 CDAERP CC(C)[C@@H](C)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925856486 617896068 /nfs/dbraw/zinc/89/60/68/617896068.db2.gz QZWKLSZJYRRMMS-NEPJUHHUSA-N 2 0 254.374 1.306 10 0 CDAERP CCC[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1cccnc1 ZINC000925813598 617760169 /nfs/dbraw/zinc/76/01/69/617760169.db2.gz XDDLDNRRPQLMEX-MRXNPFEDSA-N 2 0 276.428 1.936 10 0 CDAERP CCC[C@@H]([NH2+]CCN1CCC([NH3+])CC1)C1CCC1 ZINC000925816842 617772724 /nfs/dbraw/zinc/77/27/24/617772724.db2.gz JWLYLYYXDQIHSC-OAHLLOKOSA-N 2 0 253.434 1.968 10 0 CDAERP C[NH+](C)CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccnc1 ZINC000925826234 617820356 /nfs/dbraw/zinc/82/03/56/617820356.db2.gz FZPNPLJYKRMGIB-FCLJQHQZSA-N 2 0 288.439 1.947 10 0 CDAERP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC000925826926 617837806 /nfs/dbraw/zinc/83/78/06/617837806.db2.gz QLECCHYUWFMYFN-KBPBESRZSA-N 2 0 282.428 1.286 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000925827610 617841163 /nfs/dbraw/zinc/84/11/63/617841163.db2.gz QTKJFBFQALZLDF-YDHLFZDLSA-N 2 0 264.417 1.790 10 0 CDAERP COC(=O)C1=CC[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925722383 617862885 /nfs/dbraw/zinc/86/28/85/617862885.db2.gz HNBZKBGBZUJGAB-FRRDWIJNSA-N 2 0 266.385 1.744 10 0 CDAERP C[C@H]([NH2+]CCc1cccc2c1OCCO2)C1C[NH2+]C1 ZINC000925874386 617940244 /nfs/dbraw/zinc/94/02/44/617940244.db2.gz JESBLNOQHLWICF-NSHDSACASA-N 2 0 262.353 1.198 10 0 CDAERP CO[C@@H](C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)C1CCC1 ZINC000852747993 617960655 /nfs/dbraw/zinc/96/06/55/617960655.db2.gz FNMJVTZSYSKJGX-GJZGRUSLSA-N 2 0 252.402 1.877 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000923416229 618326401 /nfs/dbraw/zinc/32/64/01/618326401.db2.gz UTUCPUDUCPTHQD-MWLCHTKSSA-N 2 0 268.323 1.607 10 0 CDAERP CCn1nc(C)c([C@H](C)[NH2+]CC2CC[NH+](C)CC2)n1 ZINC000924962229 618443701 /nfs/dbraw/zinc/44/37/01/618443701.db2.gz DDOBSRBFAMZIJC-NSHDSACASA-N 2 0 265.405 1.599 10 0 CDAERP [NH3+][C@H](CC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)C1CC1 ZINC000841850546 618746969 /nfs/dbraw/zinc/74/69/69/618746969.db2.gz DQZTVCPLGLLTAY-GFCCVEGCSA-N 2 0 277.343 1.537 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@@H]1CC[NH+](C)[C@@H]1C ZINC000928447202 619095306 /nfs/dbraw/zinc/09/53/06/619095306.db2.gz JHVUUCZFXPBAPN-YVECIDJPSA-N 2 0 253.390 1.068 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCNc1ccccn1 ZINC000925233288 620599795 /nfs/dbraw/zinc/59/97/95/620599795.db2.gz UPBBARJYTDRFHO-MZBDJJRSSA-N 2 0 274.412 1.813 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000925312100 620982864 /nfs/dbraw/zinc/98/28/64/620982864.db2.gz GJASVXGNIBRCPM-KGLIPLIRSA-N 2 0 282.432 1.062 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000897956478 621244742 /nfs/dbraw/zinc/24/47/42/621244742.db2.gz NMNWCKFYOLUTCB-CQSZACIVSA-N 2 0 286.379 1.823 10 0 CDAERP C[C@@H]1[C@H](NC(=O)N(C)CC[C@H]2CCCC[NH+]2C)CC[N@@H+]1C ZINC000925326684 621554188 /nfs/dbraw/zinc/55/41/88/621554188.db2.gz MXOFGGFZPFNIDV-RBSFLKMASA-N 2 0 296.459 1.595 10 0 CDAERP C[C@H]1COC[C@H](C)C1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000924628091 621596887 /nfs/dbraw/zinc/59/68/87/621596887.db2.gz HJZDEHMUYJOEDA-KBPBESRZSA-N 2 0 283.460 1.273 10 0 CDAERP CC(C)[C@H](C[NH2+][C@@H]1[C@@H](C)COC[C@H]1C)N1CC[NH+](C)CC1 ZINC000924631378 621610690 /nfs/dbraw/zinc/61/06/90/621610690.db2.gz MIUKWJVISILPQL-VVLHAWIVSA-N 2 0 297.487 1.519 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000841065156 621643212 /nfs/dbraw/zinc/64/32/12/621643212.db2.gz YFRNRVSDWWAWII-FHUSYTEZSA-N 2 0 272.483 1.954 10 0 CDAERP C[C@@H](C(=O)N1CC([NH+]2CCCC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000898612468 621819067 /nfs/dbraw/zinc/81/90/67/621819067.db2.gz GNIDVNOEIMNREQ-MJBXVCDLSA-N 2 0 279.428 1.554 10 0 CDAERP CCO[C@H](CNC(=[NH2+])N1CCC(C)CC1)C[NH+](C)C ZINC000899262590 622133603 /nfs/dbraw/zinc/13/36/03/622133603.db2.gz NLGXYYMAOZYQAC-CYBMUJFWSA-N 2 0 270.421 1.209 10 0 CDAERP C[C@@H](NC(=[NH2+])NCCC[N@@H+]1CCCO[C@@H](C)C1)C1CC1 ZINC000899271718 622136511 /nfs/dbraw/zinc/13/65/11/622136511.db2.gz LJSUQWKGVBLHHM-QWHCGFSZSA-N 2 0 282.432 1.400 10 0 CDAERP c1c(C[C@@H]2CCC[NH2+]C2)nnn1C[C@@H]1CCCC[NH2+]C1 ZINC000899742524 622403230 /nfs/dbraw/zinc/40/32/30/622403230.db2.gz ZTCDOXWPOKKKLO-UONOGXRCSA-N 2 0 277.416 1.210 10 0 CDAERP c1cc2c(cc1-c1nc([C@H]3CCC[NH2+]3)no1)OCC[NH2+]C2 ZINC000900008942 622627205 /nfs/dbraw/zinc/62/72/05/622627205.db2.gz CMJJSKFNLXZXOB-GFCCVEGCSA-N 2 0 286.335 1.643 10 0 CDAERP [NH3+][C@@H]1CCCC[C@@H]1c1nc(CC2CC[NH2+]CC2)no1 ZINC000900017771 622645152 /nfs/dbraw/zinc/64/51/52/622645152.db2.gz SUKDBJSAKXBHAO-NWDGAFQWSA-N 2 0 264.373 1.597 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)C[NH+]1CCCC1 ZINC000900273396 622860247 /nfs/dbraw/zinc/86/02/47/622860247.db2.gz XSXACHRKHWJGBK-OAGGEKHMSA-N 2 0 293.455 1.851 10 0 CDAERP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902466801 624858866 /nfs/dbraw/zinc/85/88/66/624858866.db2.gz MXUCVXJVEVLBER-GHVFGFPKSA-N 2 0 299.418 1.725 10 0 CDAERP C[NH+]1CCN(CCC[NH2+]C2C[C@H]3CCC[C@@H]3C2)CC1 ZINC000902730709 625279091 /nfs/dbraw/zinc/27/90/91/625279091.db2.gz SCOIHHOYPIKWFO-HUUCEWRRSA-N 2 0 265.445 1.792 10 0 CDAERP C1C[C@@H]2C[C@H]([NH2+][C@@H]3CCO[C@@]34CCOC4)CC[N@@H+]2C1 ZINC000903073624 625837865 /nfs/dbraw/zinc/83/78/65/625837865.db2.gz PJCPNALYZFOELH-KBUPBQIOSA-N 2 0 266.385 1.151 10 0 CDAERP C[C@@H]1[C@H](N[C@@H]2CC[NH+](C)[C@H]3CCC[C@@H]32)CC[N@@H+]1C ZINC000903300124 625959580 /nfs/dbraw/zinc/95/95/80/625959580.db2.gz GVNXXDOUTNUBPY-RYPNDVFKSA-N 2 0 251.418 1.541 10 0 CDAERP CCS(=O)(=O)C1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903457637 625993926 /nfs/dbraw/zinc/99/39/26/625993926.db2.gz YAXDGGCVOHQZFI-NEPJUHHUSA-N 2 0 274.430 1.013 10 0 CDAERP COC(=O)[C@H](C)[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1 ZINC000903458682 625994368 /nfs/dbraw/zinc/99/43/68/625994368.db2.gz GXBVMRXQXKFBHU-VDERGJSUSA-N 2 0 290.407 1.982 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)C1 ZINC000903445255 625998416 /nfs/dbraw/zinc/99/84/16/625998416.db2.gz HSZPLJUHLQJISP-XQLPTFJDSA-N 3 0 251.418 1.578 10 0 CDAERP c1cc(CC[N@@H+]2CCC3(C2)CC[NH2+]CC3)sn1 ZINC000903447240 625999746 /nfs/dbraw/zinc/99/97/46/625999746.db2.gz KPHIEZOSTKTQIL-UHFFFAOYSA-N 2 0 251.399 1.761 10 0 CDAERP CO[C@]1(C(F)(F)F)CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903482462 626006589 /nfs/dbraw/zinc/00/65/89/626006589.db2.gz ILPZJNQYNMYIGI-OUAUKWLOSA-N 2 0 266.307 1.767 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C[C@@H](C)C(C)(C)C)C2 ZINC000903494735 626011301 /nfs/dbraw/zinc/01/13/01/626011301.db2.gz MITXAAYAGYVEHP-IATRGZMQSA-N 2 0 282.428 1.881 10 0 CDAERP C[C@H](C(=O)NCc1ccccc1)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903494900 626011487 /nfs/dbraw/zinc/01/14/87/626011487.db2.gz PVUVUVXOEQAQPY-IIAWOOMASA-N 2 0 289.423 1.608 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)NCc2ccc(F)cc2)C[C@H]1CC[NH3+] ZINC000903495152 626011603 /nfs/dbraw/zinc/01/16/03/626011603.db2.gz XMLDFMPWWUNKQH-TZMCWYRMSA-N 2 0 293.386 1.359 10 0 CDAERP C([C@H]1CCCC[NH2+]C1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000903740526 626079141 /nfs/dbraw/zinc/07/91/41/626079141.db2.gz INUJYLZEFRQVMF-XHSDSOJGSA-N 3 0 265.445 1.840 10 0 CDAERP C([C@@H]1CC2(CO1)CC[NH2+]CC2)[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000903765524 626084477 /nfs/dbraw/zinc/08/44/77/626084477.db2.gz IZULJOGOFVGCEN-KFWWJZLASA-N 2 0 280.412 1.113 10 0 CDAERP C(CC1CC[NH2+]CC1)CN1CCC[C@@]12CC[NH2+]C2 ZINC000903872429 626126583 /nfs/dbraw/zinc/12/65/83/626126583.db2.gz ZMRVAJHNDBTKIC-HNNXBMFYSA-N 2 0 251.418 1.594 10 0 CDAERP CCC[N@H+](CC)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903872698 626127395 /nfs/dbraw/zinc/12/73/95/626127395.db2.gz AFGBMHRSBYWORV-GFCCVEGCSA-N 2 0 251.378 1.435 10 0 CDAERP CC[N@H+](CC(C)C)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903885628 626133067 /nfs/dbraw/zinc/13/30/67/626133067.db2.gz NSPRZBUGABKXCK-AWEZNQCLSA-N 2 0 266.433 1.824 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@H+]2CC[C@@H](C)C2)cnn1C ZINC000903886648 626133723 /nfs/dbraw/zinc/13/37/23/626133723.db2.gz SQFOZQLGBGFLDB-DGCLKSJQSA-N 2 0 250.390 1.188 10 0 CDAERP OC[C@]1([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCc2ccccc21 ZINC000903903879 626140237 /nfs/dbraw/zinc/14/02/37/626140237.db2.gz YCVCWSKEVARPHO-NPVYPNSJSA-N 2 0 286.419 1.941 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[NH2+]C2CCC=CCC2)cnn1C ZINC000903959271 626159029 /nfs/dbraw/zinc/15/90/29/626159029.db2.gz DKOBDSFQZHQIOT-CQSZACIVSA-N 2 0 276.428 1.934 10 0 CDAERP COC[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)[C@H]1CCCOC1 ZINC000903959428 626159523 /nfs/dbraw/zinc/15/95/23/626159523.db2.gz HWVHNTXFDILKJQ-MJBXVCDLSA-N 2 0 256.390 1.160 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cccc2c1OCO2 ZINC000903973780 626168590 /nfs/dbraw/zinc/16/85/90/626168590.db2.gz HVHAAUVPSNTODS-VXGBXAGGSA-N 2 0 262.353 1.751 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cnn(-c2ccccc2)n1 ZINC000903974253 626169345 /nfs/dbraw/zinc/16/93/45/626169345.db2.gz NHVRESUQAGENII-ZIAGYGMSSA-N 2 0 285.395 1.603 10 0 CDAERP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903964935 626171867 /nfs/dbraw/zinc/17/18/67/626171867.db2.gz YFTWZJJMVISNJQ-DDHJBXDOSA-N 2 0 290.354 1.551 10 0 CDAERP C[C@@H]1C[C@@H](CN2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CC[NH2+]1 ZINC000903982915 626172286 /nfs/dbraw/zinc/17/22/86/626172286.db2.gz ZMWYFLXELPDDHN-LMLFDSFASA-N 2 0 265.323 1.196 10 0 CDAERP COC(=O)C[C@@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)C[C@H]1C ZINC000903986577 626174447 /nfs/dbraw/zinc/17/44/47/626174447.db2.gz MLBPJQMJUYLIOU-YRGRVCCFSA-N 2 0 254.374 1.117 10 0 CDAERP c1cncc(-c2cccc(CN3CC[NH2+]CC[NH2+]CC3)c2)c1 ZINC000904397037 626273925 /nfs/dbraw/zinc/27/39/25/626273925.db2.gz WORGJFZCRGOLRR-UHFFFAOYSA-N 2 0 296.418 1.743 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=[NH2+])NC[C@H]1CCCS1 ZINC000905040317 626380107 /nfs/dbraw/zinc/38/01/07/626380107.db2.gz AXZCCNPQIOZYQJ-QWHCGFSZSA-N 2 0 284.473 1.870 10 0 CDAERP CC1CC[NH+](CCNC(=[NH2+])NC[C@@H]2CCCS2)CC1 ZINC000905041563 626381019 /nfs/dbraw/zinc/38/10/19/626381019.db2.gz KLSXECWODWMPHC-ZDUSSCGKSA-N 2 0 284.473 1.728 10 0 CDAERP C[NH+]1CCC(C)(CNC(=[NH2+])NC[C@@H]2CCCS2)CC1 ZINC000905051541 626387030 /nfs/dbraw/zinc/38/70/30/626387030.db2.gz YTXRIVLUYUWOAA-LBPRGKRZSA-N 2 0 284.473 1.728 10 0 CDAERP C(C[C@@H]1CC[NH2+]C1)c1nc(CC2CC[NH2+]CC2)no1 ZINC000905312831 626743673 /nfs/dbraw/zinc/74/36/73/626743673.db2.gz FBTBDSRMDYCYKW-GFCCVEGCSA-N 2 0 264.373 1.154 10 0 CDAERP C[NH2+]CCOc1ccccc1-c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000905305295 626756517 /nfs/dbraw/zinc/75/65/17/626756517.db2.gz RQTHHYOAKKSNRN-LBPRGKRZSA-N 2 0 288.351 1.759 10 0 CDAERP C[C@H](NC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)C1=CC[NH+](C)CC1 ZINC000907282791 627591777 /nfs/dbraw/zinc/59/17/77/627591777.db2.gz QQSYNZDPIXFGQE-CWRNSKLLSA-N 2 0 291.439 1.770 10 0 CDAERP CC(C)[C@@H](C(=O)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1)[NH+](C)C ZINC000913281716 630432447 /nfs/dbraw/zinc/43/24/47/630432447.db2.gz BYABBJGDKYOHON-CWRNSKLLSA-N 2 0 281.444 1.373 10 0 CDAERP C[C@@H]1[C@H](NC(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)CC[N@@H+]1C ZINC000914218579 631266292 /nfs/dbraw/zinc/26/62/92/631266292.db2.gz DNPCTSNXIJKYLX-SYQHCUMBSA-N 2 0 280.416 1.005 10 0 CDAERP CN(CC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)CC(F)(F)F ZINC000925477941 632722974 /nfs/dbraw/zinc/72/29/74/632722974.db2.gz KMHPBTWIZCCXSS-ZJUUUORDSA-N 2 0 265.323 1.340 10 0 CDAERP CC(C)[NH+](CCCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC000921150714 632883733 /nfs/dbraw/zinc/88/37/33/632883733.db2.gz QLWOSQBLVBIRBW-HUUCEWRRSA-N 2 0 298.475 1.887 10 0 CDAERP Cc1cnc(Cl)c(C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000921704173 633215650 /nfs/dbraw/zinc/21/56/50/633215650.db2.gz IIDUPCVRZLHZFA-ZDUSSCGKSA-N 2 0 296.846 1.769 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+]Cc2c(Cl)n[nH]c2C2CC2)CC1 ZINC000921769740 633282918 /nfs/dbraw/zinc/28/29/18/633282918.db2.gz KSKMILWNMWRSRB-UHFFFAOYSA-N 2 0 298.818 1.487 10 0 CDAERP CC/C=C/CC[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001480878752 1158559811 /nfs/dbraw/zinc/55/98/11/1158559811.db2.gz HXSLBLBLBLFEKO-NFAHFFEMSA-N 2 0 281.444 1.875 10 0 CDAERP CCCC[NH2+]C[C@@H](NC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001670489953 1158618527 /nfs/dbraw/zinc/61/85/27/1158618527.db2.gz DXPRWDCAUAKVSS-OAHLLOKOSA-N 2 0 293.455 1.899 10 0 CDAERP C(c1[nH]nc2c1COCC2)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001772537302 1158800404 /nfs/dbraw/zinc/80/04/04/1158800404.db2.gz GDUORARBJLHIKJ-UHFFFAOYSA-N 2 0 290.411 1.448 10 0 CDAERP COCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCC[NH+]2CCCC2)C1 ZINC001725589190 1159256254 /nfs/dbraw/zinc/25/62/54/1159256254.db2.gz JTOYGPHPNZXLDH-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CCCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001481030529 1159485896 /nfs/dbraw/zinc/48/58/96/1159485896.db2.gz IRFQPCQULPPQDZ-CABCVRRESA-N 2 0 281.444 1.851 10 0 CDAERP CCCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001481751575 1159931228 /nfs/dbraw/zinc/93/12/28/1159931228.db2.gz KZMNDGWVAGPCQQ-GJZGRUSLSA-N 2 0 281.444 1.661 10 0 CDAERP CC/C=C\CC[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001670845608 1160573860 /nfs/dbraw/zinc/57/38/60/1160573860.db2.gz IWFLPYROHKNGOM-PLNGDYQASA-N 2 0 293.455 1.923 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC1=CCCCC1 ZINC001567079145 1168550789 /nfs/dbraw/zinc/55/07/89/1168550789.db2.gz PADOETYGEOLPGX-ZFWWWQNUSA-N 2 0 279.428 1.533 10 0 CDAERP CC(C)[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001567198999 1168616524 /nfs/dbraw/zinc/61/65/24/1168616524.db2.gz RSCDFZUEJNBUHJ-ZDUSSCGKSA-N 2 0 255.406 1.269 10 0 CDAERP CCC[N@H+](C)CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001567324484 1168679634 /nfs/dbraw/zinc/67/96/34/1168679634.db2.gz PYHLHBJDEKVIHN-STQMWFEESA-N 2 0 255.406 1.317 10 0 CDAERP CCC[NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001567496476 1168812091 /nfs/dbraw/zinc/81/20/91/1168812091.db2.gz MLCXLAHLZVTOGK-UHFFFAOYSA-N 2 0 269.433 1.709 10 0 CDAERP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N3C[C@@H](C)[NH+](C)C[C@@H]3C)C[N@@H+]2C1 ZINC001649309108 1169185489 /nfs/dbraw/zinc/18/54/89/1169185489.db2.gz OCWTVCPPJZISMN-OWYFMNJBSA-N 2 0 293.455 1.658 10 0 CDAERP CC[C@@H](C)C[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001568899145 1169538833 /nfs/dbraw/zinc/53/88/33/1169538833.db2.gz SYWLFQBXNCJJGZ-HLMASZERSA-N 2 0 267.417 1.389 10 0 CDAERP CC1CC(C[NH2+]C/C=C\CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001568952448 1169560895 /nfs/dbraw/zinc/56/08/95/1169560895.db2.gz ZKEWEIWKDITKHM-HYXDEOKTSA-N 2 0 293.455 1.636 10 0 CDAERP C[C@@H](C[N@H+](C)CC1CC1)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001569146258 1169688975 /nfs/dbraw/zinc/68/89/75/1169688975.db2.gz AYLXKNXRCHQXCS-JSGCOSHPSA-N 2 0 267.417 1.175 10 0 CDAERP CC[C@H](C)C[NH2+]CC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001570000025 1170056934 /nfs/dbraw/zinc/05/69/34/1170056934.db2.gz HAKAPWUPZAMNGZ-LSDHHAIUSA-N 2 0 283.460 1.812 10 0 CDAERP CN(C(=O)CC[NH+]1CCCCC1)C1CC([NH2+]CCCF)C1 ZINC001571665623 1170515031 /nfs/dbraw/zinc/51/50/31/1170515031.db2.gz DRZYCAHNBAYSHC-UHFFFAOYSA-N 2 0 299.434 1.801 10 0 CDAERP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)NCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001650551938 1171171716 /nfs/dbraw/zinc/17/17/16/1171171716.db2.gz RQUAEAPIYPZMJK-ZNMIVQPWSA-N 2 0 294.443 1.112 10 0 CDAERP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1C1CCCC1 ZINC001650598102 1171224598 /nfs/dbraw/zinc/22/45/98/1171224598.db2.gz ZEFIYMOPOKGZMW-HIFRSBDPSA-N 2 0 279.428 1.556 10 0 CDAERP C[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]C/C=C/Cl)C2)CC1 ZINC001662681119 1172580908 /nfs/dbraw/zinc/58/09/08/1172580908.db2.gz YYXJKEMKSCFRCF-ZABGRMTBSA-N 2 0 299.846 1.519 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC=C(C)C ZINC001664643248 1172878394 /nfs/dbraw/zinc/87/83/94/1172878394.db2.gz OUAHXOMOQBRTDN-IYBDPMFKSA-N 2 0 293.455 1.970 10 0 CDAERP CC[NH+](CC)CCCCNC(=O)C12CCC[NH+]1CCC2 ZINC001587462754 1172986461 /nfs/dbraw/zinc/98/64/61/1172986461.db2.gz ISMDSJIRXMODSP-UHFFFAOYSA-N 2 0 281.444 1.853 10 0 CDAERP CCC[NH2+]C[C@@](C)(NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001666021341 1173101608 /nfs/dbraw/zinc/10/16/08/1173101608.db2.gz BNQYNDVZJIZADD-CZUORRHYSA-N 2 0 281.444 1.613 10 0 CDAERP CCN(CC[NH2+]Cc1cncs1)C(=O)C[NH+]1CCCC1 ZINC001668646316 1173436076 /nfs/dbraw/zinc/43/60/76/1173436076.db2.gz YDQCBFWNDYQSBM-UHFFFAOYSA-N 2 0 296.440 1.177 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CCCF ZINC001669206565 1173517522 /nfs/dbraw/zinc/51/75/22/1173517522.db2.gz FKVMZCPWNQHJRQ-ISZGNANSSA-N 2 0 285.407 1.482 10 0 CDAERP C[C@@H](C[NH2+]CCc1ccccc1)NC(=O)CC[NH+](C)C ZINC001669657357 1173581745 /nfs/dbraw/zinc/58/17/45/1173581745.db2.gz DHZHENMKVGFVCP-AWEZNQCLSA-N 2 0 277.412 1.275 10 0 CDAERP CC[C@@H](C)C[NH2+]CC[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001672909384 1173808816 /nfs/dbraw/zinc/80/88/16/1173808816.db2.gz FLURIACALLDTFW-HZPDHXFCSA-N 2 0 295.471 1.957 10 0 CDAERP C[NH2+]CCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000124620919 1175335341 /nfs/dbraw/zinc/33/53/41/1175335341.db2.gz QCOVTTFSVZZSNT-RDBSUJKOSA-N 2 0 267.417 1.365 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCCF)C2)C1 ZINC001690353197 1175445998 /nfs/dbraw/zinc/44/59/98/1175445998.db2.gz CSLOWGSKHHJQRT-SOUVJXGZSA-N 2 0 299.434 1.705 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001690649954 1175536301 /nfs/dbraw/zinc/53/63/01/1175536301.db2.gz BTHMQTBQNBHYBV-ZDUSSCGKSA-N 2 0 255.406 1.387 10 0 CDAERP CCC/C=C/CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001692375445 1175755515 /nfs/dbraw/zinc/75/55/15/1175755515.db2.gz XXQFDEWVPDZOJX-MIVXPEEVSA-N 2 0 293.455 1.970 10 0 CDAERP CCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001698600904 1175866418 /nfs/dbraw/zinc/86/64/18/1175866418.db2.gz NPGDULAFYOWLOW-FRRDWIJNSA-N 2 0 255.406 1.221 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]CCC(C)(C)C ZINC001698771743 1175926506 /nfs/dbraw/zinc/92/65/06/1175926506.db2.gz FSNMJYHOFIMZAX-UONOGXRCSA-N 2 0 283.460 1.716 10 0 CDAERP CC(C)C[C@@H](C[NH2+]CCCF)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001698881019 1175976101 /nfs/dbraw/zinc/97/61/01/1175976101.db2.gz XLDSTIVCPVYNIR-KGLIPLIRSA-N 2 0 287.423 1.418 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001698890510 1175979086 /nfs/dbraw/zinc/97/90/86/1175979086.db2.gz GHPQFUVBXTZGEB-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@H](CC[NH2+]CC1CC1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001699142938 1176110937 /nfs/dbraw/zinc/11/09/37/1176110937.db2.gz KDEYOGNSRRPDIX-CQSZACIVSA-N 2 0 293.455 1.757 10 0 CDAERP CC[NH2+]CCN(CC)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001699202052 1176137841 /nfs/dbraw/zinc/13/78/41/1176137841.db2.gz YCMBKFLNLGDZOT-STQMWFEESA-N 2 0 255.406 1.175 10 0 CDAERP CC(C)[NH2+]C/C=C\CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001699307222 1176211326 /nfs/dbraw/zinc/21/13/26/1176211326.db2.gz DOXHEXSMOLSYHY-FPLPWBNLSA-N 2 0 269.433 1.635 10 0 CDAERP C[C@H](C[NH2+]CCF)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001699380594 1176339533 /nfs/dbraw/zinc/33/95/33/1176339533.db2.gz SPCNIHDUNOGPIO-CYBMUJFWSA-N 2 0 295.402 1.468 10 0 CDAERP CC(C)CCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001699390206 1176349946 /nfs/dbraw/zinc/34/99/46/1176349946.db2.gz HTABHNBFJQGDPA-ZIAGYGMSSA-N 2 0 269.433 1.469 10 0 CDAERP CCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001699462449 1176423016 /nfs/dbraw/zinc/42/30/16/1176423016.db2.gz VWIWIWYILFZCAL-RDBSUJKOSA-N 2 0 269.433 1.563 10 0 CDAERP CC[N@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001699474181 1176433228 /nfs/dbraw/zinc/43/32/28/1176433228.db2.gz KHFFHPWBQPOOPL-KGLIPLIRSA-N 2 0 269.433 1.563 10 0 CDAERP CN(CCC[NH2+]Cc1ccns1)C(=O)CC[NH+](C)C ZINC001699532566 1176466407 /nfs/dbraw/zinc/46/64/07/1176466407.db2.gz XGGGQDUPDZGJCM-UHFFFAOYSA-N 2 0 284.429 1.033 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@H](NC(=O)Cc1c[nH]cn1)C1CC1 ZINC001699588022 1176487359 /nfs/dbraw/zinc/48/73/59/1176487359.db2.gz IMMPEUAHGSDTKS-GWCFXTLKSA-N 2 0 282.363 1.185 10 0 CDAERP CCCCC[NH+]1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001699719696 1176585564 /nfs/dbraw/zinc/58/55/64/1176585564.db2.gz OFWCPJHZLOSIAT-UHFFFAOYSA-N 2 0 255.406 1.271 10 0 CDAERP CC[NH2+][C@H](C)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001700429995 1176925182 /nfs/dbraw/zinc/92/51/82/1176925182.db2.gz JEBSDKQGFPZIEA-OLZOCXBDSA-N 2 0 255.406 1.365 10 0 CDAERP CC/C=C/CC[NH2+][C@H](C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001700429625 1176925187 /nfs/dbraw/zinc/92/51/87/1176925187.db2.gz ZFWWORXNXFDCNW-XEVLESSRSA-N 2 0 293.455 1.921 10 0 CDAERP CC/C=C/CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001700469992 1176959218 /nfs/dbraw/zinc/95/92/18/1176959218.db2.gz JIAJNPXCOVWUKP-MFHOCJEASA-N 2 0 281.444 1.873 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]CCCF)C(C)(C)C2)C1 ZINC001700948903 1177205713 /nfs/dbraw/zinc/20/57/13/1177205713.db2.gz WZGLMZHKZWQUKP-QWHCGFSZSA-N 2 0 285.407 1.124 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001724244152 1178163566 /nfs/dbraw/zinc/16/35/66/1178163566.db2.gz KDXBQOMHVYJHKA-ZFWWWQNUSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)CCC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001713175396 1178413674 /nfs/dbraw/zinc/41/36/74/1178413674.db2.gz AVSSWUQPINFXSF-SHTZXODSSA-N 2 0 283.460 2.000 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001713239238 1178448051 /nfs/dbraw/zinc/44/80/51/1178448051.db2.gz UKEYUCNVBAPGEK-XHSDSOJGSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001713244662 1178449531 /nfs/dbraw/zinc/44/95/31/1178449531.db2.gz SJWJCYFQTVHYFN-LSDHHAIUSA-N 2 0 283.460 1.811 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001713265678 1178460138 /nfs/dbraw/zinc/46/01/38/1178460138.db2.gz PNFLJYLNAYSILO-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CCCC[NH2+]C[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001713359918 1178519890 /nfs/dbraw/zinc/51/98/90/1178519890.db2.gz XIRNYZAJBJAOHC-CQSZACIVSA-N 2 0 269.433 1.566 10 0 CDAERP CC(C)[NH2+][C@@H](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001713420339 1178549076 /nfs/dbraw/zinc/54/90/76/1178549076.db2.gz RSWGQAZXDAFFMV-STQMWFEESA-N 2 0 255.406 1.221 10 0 CDAERP COCC[NH2+][C@H](C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001713680631 1178707780 /nfs/dbraw/zinc/70/77/80/1178707780.db2.gz PLUASTGPADJETF-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@H]([NH2+]CCC[C@@H](C)O)C1)[NH+](C)C ZINC001713769639 1178744692 /nfs/dbraw/zinc/74/46/92/1178744692.db2.gz FWRLFSAKQIXOHO-QLFBSQMISA-N 2 0 299.459 1.068 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]CCCF)C1CC1 ZINC001713886453 1178815892 /nfs/dbraw/zinc/81/58/92/1178815892.db2.gz UXECAHIKRWCBAI-HUUCEWRRSA-N 2 0 299.434 1.705 10 0 CDAERP CC[C@@H](C)C[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001714308542 1179078919 /nfs/dbraw/zinc/07/89/19/1179078919.db2.gz GFVOAEVWACBCJH-OLZOCXBDSA-N 2 0 257.422 1.467 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001714359204 1179103933 /nfs/dbraw/zinc/10/39/33/1179103933.db2.gz NVILRPWBSYKYQO-CABCVRRESA-N 2 0 281.444 1.851 10 0 CDAERP CC1CC[NH+](CC(=O)N2CC[C@H](C[NH2+]CCCF)C2)CC1 ZINC001714371536 1179109977 /nfs/dbraw/zinc/10/99/77/1179109977.db2.gz CTVLYDRISNNRPD-OAHLLOKOSA-N 2 0 299.434 1.516 10 0 CDAERP O=C(NCCC[C@H]1CCC[N@H+]1CCF)C12CC[NH+](CC1)C2 ZINC001714539651 1179195445 /nfs/dbraw/zinc/19/54/45/1179195445.db2.gz WBLFMEMHFVVVRH-AWEZNQCLSA-N 2 0 297.418 1.413 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)CC1=CCCCC1 ZINC001714573259 1179229269 /nfs/dbraw/zinc/22/92/69/1179229269.db2.gz XGOUIFATBSDSIP-UHFFFAOYSA-N 2 0 281.444 1.875 10 0 CDAERP C[C@@H](C[NH2+]C/C=C/Cl)NC(=O)C12CCC[NH+]1CCC2 ZINC001715986589 1179965092 /nfs/dbraw/zinc/96/50/92/1179965092.db2.gz JXDRCDHHHQAEMA-NTYUQYKDSA-N 2 0 285.819 1.462 10 0 CDAERP CC(C)=CC[NH2+]CCCN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001716546290 1180279019 /nfs/dbraw/zinc/27/90/19/1180279019.db2.gz NUPMTNJFJBHMEQ-UHFFFAOYSA-N 2 0 281.444 1.875 10 0 CDAERP CO[C@@H](C)C[NH2+]CCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001716552363 1180282120 /nfs/dbraw/zinc/28/21/20/1180282120.db2.gz GGYPEARAPGKJIB-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP CCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001716970597 1180485847 /nfs/dbraw/zinc/48/58/47/1180485847.db2.gz YGZJVEBGULBDLW-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001716975124 1180487837 /nfs/dbraw/zinc/48/78/37/1180487837.db2.gz JBSZLWQJOBRQCN-UONOGXRCSA-N 2 0 269.433 1.562 10 0 CDAERP CC(C)[NH2+][C@H](C)[C@@H](C)NC(=O)CCCC[NH+](C)C ZINC001717434499 1180670293 /nfs/dbraw/zinc/67/02/93/1180670293.db2.gz GZIUPZQBNHKNIG-CHWSQXEVSA-N 2 0 257.422 1.610 10 0 CDAERP COCCC[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001717839285 1180887879 /nfs/dbraw/zinc/88/78/79/1180887879.db2.gz FQMWKYHKVARLFT-HOCLYGCPSA-N 2 0 297.443 1.088 10 0 CDAERP COCC[NH2+]C1CC(N(C)C(=O)CCC[NH+]2CCCC2)C1 ZINC001718000295 1180964644 /nfs/dbraw/zinc/96/46/44/1180964644.db2.gz FZRCEUOIHIOPAT-UHFFFAOYSA-N 2 0 297.443 1.088 10 0 CDAERP CC[N@H+]1CC=C(CNC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001718028083 1180974563 /nfs/dbraw/zinc/97/45/63/1180974563.db2.gz GCSNCOCZUDRACL-CYBMUJFWSA-N 2 0 265.401 1.096 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CCC[NH2+]CC2CCCC2)C1 ZINC001723124729 1181519874 /nfs/dbraw/zinc/51/98/74/1181519874.db2.gz XUSJUMQTZZYGEF-OAHLLOKOSA-N 2 0 295.471 1.957 10 0 CDAERP O=C(N[C@H](C[NH2+]CCF)C1CCCC1)C12CC[NH+](CC1)C2 ZINC001724103336 1181635789 /nfs/dbraw/zinc/63/57/89/1181635789.db2.gz OYKZZUBUOVQFLV-CQSZACIVSA-N 2 0 297.418 1.316 10 0 CDAERP O=C1Nc2ccccc2CC[C@@H]1N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261644855 1181796338 /nfs/dbraw/zinc/79/63/38/1181796338.db2.gz JBUARUINJYLGKT-FMKPAKJESA-N 2 0 285.391 1.481 10 0 CDAERP CC(C)CCC[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001724943648 1181801981 /nfs/dbraw/zinc/80/19/81/1181801981.db2.gz KVWQQECJRTVWAD-CABCVRRESA-N 2 0 283.460 1.811 10 0 CDAERP C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CC1CC1 ZINC001724994903 1181818113 /nfs/dbraw/zinc/81/81/13/1181818113.db2.gz IOCFSJGVIWHKSV-GXTWGEPZSA-N 2 0 267.417 1.317 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCCCCF)C2)C1 ZINC001725370912 1181977116 /nfs/dbraw/zinc/97/71/16/1181977116.db2.gz AWAJMCMBSPFCMA-RBSFLKMASA-N 2 0 299.434 1.562 10 0 CDAERP CC(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001725593826 1182065619 /nfs/dbraw/zinc/06/56/19/1182065619.db2.gz ONCWVUAHTOYNEI-KBPBESRZSA-N 2 0 269.433 1.562 10 0 CDAERP CCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001725621564 1182075494 /nfs/dbraw/zinc/07/54/94/1182075494.db2.gz KZEROTMWTYDVPK-ARFHVFGLSA-N 2 0 295.471 1.955 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H](C[NH2+]CCCF)C2)C1 ZINC001731532072 1182437204 /nfs/dbraw/zinc/43/72/04/1182437204.db2.gz SFHZSXBUPWULJU-CABCVRRESA-N 2 0 299.434 1.516 10 0 CDAERP COCC[NH2+][C@@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001731608021 1182475950 /nfs/dbraw/zinc/47/59/50/1182475950.db2.gz IMAOWDLJPYLQCV-AWEZNQCLSA-N 2 0 299.459 1.239 10 0 CDAERP CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001732049731 1182741768 /nfs/dbraw/zinc/74/17/68/1182741768.db2.gz ALLBSHQOLAUJQX-ZIAGYGMSSA-N 2 0 267.417 1.319 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCCCCF ZINC001732149790 1182806937 /nfs/dbraw/zinc/80/69/37/1182806937.db2.gz XTEARCXBDGIYEH-GJZGRUSLSA-N 2 0 299.434 1.753 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001732454480 1182974218 /nfs/dbraw/zinc/97/42/18/1182974218.db2.gz OQNAQQBNABBMBY-CQSZACIVSA-N 2 0 267.417 1.485 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H](C)CC[NH2+]CCF)[NH+]1CCCC1 ZINC001732754329 1183109422 /nfs/dbraw/zinc/10/94/22/1183109422.db2.gz MADNIZCVYMMXOZ-KGLIPLIRSA-N 2 0 287.423 1.561 10 0 CDAERP CC/C=C\CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001732754418 1183109642 /nfs/dbraw/zinc/10/96/42/1183109642.db2.gz QVRKKLJDTLBUIL-RWCKICOTSA-N 2 0 281.444 1.779 10 0 CDAERP CC[NH2+]CCN(CC)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001732785335 1183123971 /nfs/dbraw/zinc/12/39/71/1183123971.db2.gz LGXRJMHYXUTYSU-UHFFFAOYSA-N 2 0 287.367 1.339 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)NC/C=C/C[NH2+]CCF)CC1 ZINC001732916622 1183183347 /nfs/dbraw/zinc/18/33/47/1183183347.db2.gz DFAGPPLYLXMGJT-ONEGZZNKSA-N 2 0 285.407 1.338 10 0 CDAERP O=C(C[NH+]1CCCC1)NC/C=C/C[NH2+]CCC1CC1 ZINC001732935269 1183190044 /nfs/dbraw/zinc/19/00/44/1183190044.db2.gz JZROZOLSQJGBTB-OWOJBTEDSA-N 2 0 265.401 1.144 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1C ZINC001733042524 1183260635 /nfs/dbraw/zinc/26/06/35/1183260635.db2.gz MBDWZWOCBQDFNK-LSDHHAIUSA-N 2 0 281.444 1.873 10 0 CDAERP CC(C)[NH2+]CCCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001733107897 1183293814 /nfs/dbraw/zinc/29/38/14/1183293814.db2.gz XDYWANRHKQCOLH-HUUCEWRRSA-N 2 0 281.444 1.850 10 0 CDAERP CN(C(=O)CCCC[NH+](C)C)C1C[NH+](CC2CCC2)C1 ZINC001733314742 1183393154 /nfs/dbraw/zinc/39/31/54/1183393154.db2.gz BIEZGKJVJWKERH-UHFFFAOYSA-N 2 0 281.444 1.661 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001733553407 1183464529 /nfs/dbraw/zinc/46/45/29/1183464529.db2.gz QNUODGMXUCOURW-JKSUJKDBSA-N 2 0 295.471 1.979 10 0 CDAERP CCC[NH2+]CC(C)(C)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001734020088 1183615389 /nfs/dbraw/zinc/61/53/89/1183615389.db2.gz KMQOCMKQUAQXLC-CQSZACIVSA-N 2 0 283.460 1.812 10 0 CDAERP C[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CCF)C1)[NH+]1CCCCCC1 ZINC001734216014 1183694538 /nfs/dbraw/zinc/69/45/38/1183694538.db2.gz WYUISMIAMVDPTK-KKUMJFAQSA-N 2 0 299.434 1.705 10 0 CDAERP CCC[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001734335743 1183737503 /nfs/dbraw/zinc/73/75/03/1183737503.db2.gz DQCGBBMQJJNNQG-CYBMUJFWSA-N 2 0 269.433 1.707 10 0 CDAERP C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC000816952877 1164174079 /nfs/dbraw/zinc/17/40/79/1164174079.db2.gz UQVWGOVCRMAVMR-WOSRLPQWSA-N 2 0 297.418 1.361 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)CC1 ZINC000924658161 773739916 /nfs/dbraw/zinc/73/99/16/773739916.db2.gz KJRBJJDDIWIYAT-GVDBMIGSSA-N 2 0 277.456 1.958 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCO[C@H]2CCOC2)[C@H](C)C1 ZINC000930000810 773788382 /nfs/dbraw/zinc/78/83/82/773788382.db2.gz RYJKMJFSYUFVGX-ILXRZTDVSA-N 2 0 270.417 1.454 10 0 CDAERP COC/C(C)=C\CN1CCO[C@H](CCC[NH+](C)C)C1 ZINC000931076564 773802060 /nfs/dbraw/zinc/80/20/60/773802060.db2.gz SQTQFVAMPHNAEI-XIEDVDOYSA-N 2 0 270.417 1.622 10 0 CDAERP C([C@H]1CCCC2(CCC2)O1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000929311683 773802859 /nfs/dbraw/zinc/80/28/59/773802859.db2.gz FXADJBJNNSMDOX-MELADBBJSA-N 2 0 250.386 1.629 10 0 CDAERP C[C@@H]1C[C@H](C)[N@H+](CCO[C@@H]2CCOC2)C[C@H]1C[NH3+] ZINC000724944116 773811709 /nfs/dbraw/zinc/81/17/09/773811709.db2.gz SNXKUIAHAAGYER-XJFOESAGSA-N 2 0 256.390 1.097 10 0 CDAERP C[C@H]1C[N@H+](CCCOCC(F)(F)F)CC[C@@H]1C[NH3+] ZINC000122304931 773833123 /nfs/dbraw/zinc/83/31/23/773833123.db2.gz SSVPISXOJGDCCH-WDEREUQCSA-N 2 0 268.323 1.872 10 0 CDAERP C[C@H](CCc1cccnc1)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000866244399 773843022 /nfs/dbraw/zinc/84/30/22/773843022.db2.gz NJLFZEXXISLUKE-ZBFHGGJFSA-N 2 0 277.412 1.449 10 0 CDAERP C[C@H]1C[C@H]1NC(=[NH2+])NC1CC([NH+]2CCCCC2)C1 ZINC000864464775 773843245 /nfs/dbraw/zinc/84/32/45/773843245.db2.gz HFSYVGHANHBXFM-YWPUVAFDSA-N 2 0 250.390 1.526 10 0 CDAERP CO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)C12CCC2 ZINC000453090873 773920512 /nfs/dbraw/zinc/92/05/12/773920512.db2.gz LBRKYDVIHOECCI-RBSFLKMASA-N 2 0 282.428 1.380 10 0 CDAERP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCC[NH+]1CCCCCC1 ZINC000236968127 773931986 /nfs/dbraw/zinc/93/19/86/773931986.db2.gz SNHYMCBEPHQZSV-ZIAGYGMSSA-N 2 0 269.433 1.742 10 0 CDAERP CCON(C)C(=O)C[NH2+]C1CCN(c2ccccn2)CC1 ZINC000846066543 773990198 /nfs/dbraw/zinc/99/01/98/773990198.db2.gz ZWLMDPJVFWOVCK-UHFFFAOYSA-N 2 0 292.383 1.050 10 0 CDAERP Cn1ncnc1C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000715581788 774011398 /nfs/dbraw/zinc/01/13/98/774011398.db2.gz UKHFGDCXLKQGGN-UHFFFAOYSA-N 2 0 251.378 1.168 10 0 CDAERP CCO[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)C[NH+](C)C ZINC000922757444 774049532 /nfs/dbraw/zinc/04/95/32/774049532.db2.gz GILPWKMCPHYFEG-GZBFAFLISA-N 2 0 269.433 1.168 10 0 CDAERP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CCC[NH2+]C3CC3)C2)C1 ZINC000923388283 774089012 /nfs/dbraw/zinc/08/90/12/774089012.db2.gz NMHMGKHIHZGSPR-LZWOXQAQSA-N 3 0 281.444 1.347 10 0 CDAERP [NH3+]CCCCCCNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000843505768 774097865 /nfs/dbraw/zinc/09/78/65/774097865.db2.gz MEJXMDATUIFEMC-KBPBESRZSA-N 2 0 269.433 1.919 10 0 CDAERP C[C@H](C[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1)C(C)(C)C ZINC000923428102 774100144 /nfs/dbraw/zinc/10/01/44/774100144.db2.gz WFQCCARVSQMCGL-CHWSQXEVSA-N 2 0 254.418 1.979 10 0 CDAERP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@@H]1COc3ccccc3O1)C2 ZINC000709863505 774300936 /nfs/dbraw/zinc/30/09/36/774300936.db2.gz QREYFTZIRURWIE-XDQVBPFNSA-N 2 0 274.364 1.638 10 0 CDAERP C(C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)O[C@H]1CCOC1 ZINC000724949482 774304279 /nfs/dbraw/zinc/30/42/79/774304279.db2.gz SEWZJTFLSVRHAN-CVEARBPZSA-N 2 0 282.428 1.504 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1)[NH+](CC)CC ZINC000869780395 774323682 /nfs/dbraw/zinc/32/36/82/774323682.db2.gz INUSQQSTJFGMBR-KBPBESRZSA-N 2 0 299.459 1.068 10 0 CDAERP OCc1c[nH+]ccc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000382449790 774342267 /nfs/dbraw/zinc/34/22/67/774342267.db2.gz BDZRKUNGXYXUPR-AWEZNQCLSA-N 2 0 261.369 1.639 10 0 CDAERP CCCCCNC(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923496185 774365584 /nfs/dbraw/zinc/36/55/84/774365584.db2.gz GNKZQDOIHHHRAJ-STQMWFEESA-N 2 0 255.406 1.210 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000854229051 774381692 /nfs/dbraw/zinc/38/16/92/774381692.db2.gz HDRDADXQNKAVPE-LOWDOPEQSA-N 2 0 274.355 1.908 10 0 CDAERP CC(C)CC[NH+]1CCC([NH2+]C[C@@H](O)[C@H]2CCCO2)CC1 ZINC000926748990 774425359 /nfs/dbraw/zinc/42/53/59/774425359.db2.gz JLSSSWBSTCLZRW-HZPDHXFCSA-N 2 0 284.444 1.626 10 0 CDAERP Cc1cc(C)c2[nH]c(=O)c(C[N@@H+]3CC[C@@H](C[NH3+])C3)cc2c1 ZINC000071551703 774515476 /nfs/dbraw/zinc/51/54/76/774515476.db2.gz JYHAXZXOUUCOIN-ZDUSSCGKSA-N 2 0 285.391 1.926 10 0 CDAERP C[C@H](CNC(=O)C=C1CC[NH2+]CC1)[NH+]1CCC(C)CC1 ZINC000852863091 774517461 /nfs/dbraw/zinc/51/74/61/774517461.db2.gz KUGDPYDDQRCXQU-CQSZACIVSA-N 2 0 279.428 1.533 10 0 CDAERP CC[C@@](C)(O)C[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880258953 774531071 /nfs/dbraw/zinc/53/10/71/774531071.db2.gz FFBPOPXVBMRWCP-DZGCQCFKSA-N 2 0 263.385 1.753 10 0 CDAERP CC(C)C[N@@H+](Cc1ccccn1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923432465 774564234 /nfs/dbraw/zinc/56/42/34/774564234.db2.gz CSKHZPISULKWIK-INIZCTEOSA-N 2 0 289.423 1.918 10 0 CDAERP C[C@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C)[S@](C)=O ZINC000253010879 774594456 /nfs/dbraw/zinc/59/44/56/774594456.db2.gz BZIZXCSEYCROCE-ZXACGFKOSA-N 2 0 258.431 1.358 10 0 CDAERP CCO[C@@H](CN[C@@H](C)[C@H]1CCCC[NH2+]1)C[NH+](C)C ZINC000925837635 774606218 /nfs/dbraw/zinc/60/62/18/774606218.db2.gz RVSCRMNFFBQHHR-MELADBBJSA-N 2 0 257.422 1.073 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1cnc(C2CC2)nc1 ZINC000925636820 774613773 /nfs/dbraw/zinc/61/37/73/774613773.db2.gz UYFATPDVWQHBDJ-XYPWUTKMSA-N 2 0 286.423 1.826 10 0 CDAERP CO[C@@H]1CC[C@@H]([N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)C1 ZINC000852762353 774667825 /nfs/dbraw/zinc/66/78/25/774667825.db2.gz KUYXUELLPKKFRU-KFWWJZLASA-N 2 0 270.417 1.597 10 0 CDAERP CC[C@H](CCO)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925622666 774749464 /nfs/dbraw/zinc/74/94/64/774749464.db2.gz MGVFTCRKDDXZLG-RBSFLKMASA-N 2 0 254.418 1.905 10 0 CDAERP C[NH+](C)CCC[C@H]1C[N@H+](CCC(=O)N2CCCC2)CCO1 ZINC000852761799 774767710 /nfs/dbraw/zinc/76/77/10/774767710.db2.gz BFPYSJSOUZKRPE-HNNXBMFYSA-N 2 0 297.443 1.042 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C[C@@H]1CCC=CO1 ZINC000826904009 774808467 /nfs/dbraw/zinc/80/84/67/774808467.db2.gz VLVRTTMTYDIFPS-GJZGRUSLSA-N 2 0 269.433 1.541 10 0 CDAERP CN(C)c1ncccc1C[NH2+]C1[C@@H]2CC[C@H]1C[N@@H+](C)C2 ZINC000924655558 774827966 /nfs/dbraw/zinc/82/79/66/774827966.db2.gz ALXAWWQVVPXHRQ-YIONKMFJSA-N 2 0 274.412 1.577 10 0 CDAERP [NH3+]CC(C[NH3+])NCc1cccc(OCc2ccccn2)c1 ZINC000923359155 774829390 /nfs/dbraw/zinc/82/93/90/774829390.db2.gz MUHCJWFPISXSMW-UHFFFAOYSA-N 2 0 286.379 1.036 10 0 CDAERP CCS(=O)(=O)C1(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925705897 774845005 /nfs/dbraw/zinc/84/50/05/774845005.db2.gz ITLVQKRUJZZQBF-VXGBXAGGSA-N 2 0 288.457 1.449 10 0 CDAERP OCCCCC[NH+]1CCN(CC[NH+]2CCCCC2)CC1 ZINC000931497167 774851788 /nfs/dbraw/zinc/85/17/88/774851788.db2.gz OSTFLHYFOAQNHU-UHFFFAOYSA-N 2 0 283.460 1.253 10 0 CDAERP CN1CC[N@H+](CC[C@@H]2CC[NH2+]C2)Cc2cccnc21 ZINC000866727719 774856628 /nfs/dbraw/zinc/85/66/28/774856628.db2.gz RJBUXPUBLBAGME-ZDUSSCGKSA-N 2 0 260.385 1.333 10 0 CDAERP C[C@@H]1CC2(C[N@@H+]1CCO[C@H]1CCOC1)CC[NH2+]CC2 ZINC000923384086 774857492 /nfs/dbraw/zinc/85/74/92/774857492.db2.gz SCHBUCGQZPXAQQ-KGLIPLIRSA-N 2 0 268.401 1.256 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCC[NH+]3CCSC[C@H]23)C1 ZINC000928080893 774860334 /nfs/dbraw/zinc/86/03/34/774860334.db2.gz RANQGBYUSJDROM-HZSPNIEDSA-N 2 0 297.468 1.024 10 0 CDAERP O[C@@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)C1CC1 ZINC000838853815 774889133 /nfs/dbraw/zinc/88/91/33/774889133.db2.gz JAXIUJQILABSQK-ZFWWWQNUSA-N 2 0 252.402 1.565 10 0 CDAERP CC(C)OC(=O)N1CCC([NH2+][C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000817912472 774928711 /nfs/dbraw/zinc/92/87/11/774928711.db2.gz PWQQVOJUDBZPNK-GXTWGEPZSA-N 2 0 283.416 1.713 10 0 CDAERP C[C@@H]1CN(CCN2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)C[C@H](C)O1 ZINC000931318575 774995644 /nfs/dbraw/zinc/99/56/44/774995644.db2.gz VBXFULGNXIBEQO-WNKDZCFJSA-N 2 0 295.471 1.369 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1cnn(-c2ccccc2)c1 ZINC000863543756 775032355 /nfs/dbraw/zinc/03/23/55/775032355.db2.gz XMIFWTWFDLDJNY-AWEZNQCLSA-N 2 0 288.395 1.759 10 0 CDAERP COC[C@@H](C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1)OC ZINC000923506612 775179864 /nfs/dbraw/zinc/17/98/64/775179864.db2.gz LFEUYJOORLKDKP-GDBMZVCRSA-N 2 0 284.444 1.750 10 0 CDAERP c1ccc([C@@H]2CC[C@@H](CN3CC[NH2+]CC[NH2+]CC3)O2)cc1 ZINC000923459978 775381166 /nfs/dbraw/zinc/38/11/66/775381166.db2.gz IUHSQMRAGSYNHR-IRXDYDNUSA-N 2 0 289.423 1.402 10 0 CDAERP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)[C@@H]1C ZINC000925804090 775405489 /nfs/dbraw/zinc/40/54/89/775405489.db2.gz ZERMWKSOUBLUNF-QMIVOQANSA-N 2 0 282.428 1.799 10 0 CDAERP C[NH+](C)C[C@@H]1CN(C(=O)C2CC3(CC3)C2)C[C@H]1C[NH+](C)C ZINC000870016908 775406199 /nfs/dbraw/zinc/40/61/99/775406199.db2.gz APRKHRMXUAESSE-HUUCEWRRSA-N 2 0 293.455 1.374 10 0 CDAERP C[C@H](C(=O)N1CCCCCC1)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923499645 775546640 /nfs/dbraw/zinc/54/66/40/775546640.db2.gz MLQXPJWGXUEUHA-RBSFLKMASA-N 2 0 281.444 1.694 10 0 CDAERP [NH3+]C1(C[NH2+]C[C@@H]2CC[C@H](C(F)(F)F)O2)CCC1 ZINC000722398354 775559623 /nfs/dbraw/zinc/55/96/23/775559623.db2.gz LKYNMEHXHNIKKX-DTWKUNHWSA-N 2 0 252.280 1.567 10 0 CDAERP OCC1(CC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925688156 775631570 /nfs/dbraw/zinc/63/15/70/775631570.db2.gz DLYBEMICOYVLLZ-CABCVRRESA-N 2 0 266.429 1.907 10 0 CDAERP CO[C@H]1C[C@@H](C[N@@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)C1 ZINC000721951226 775642525 /nfs/dbraw/zinc/64/25/25/775642525.db2.gz BEHUWYODUXNOKM-CHWFTXMASA-N 2 0 266.307 1.480 10 0 CDAERP C[C@@H]1[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)CO[C@H]1C ZINC000926306391 775662366 /nfs/dbraw/zinc/66/23/66/775662366.db2.gz GNSGEZLXLIPWDH-HUBLWGQQSA-N 2 0 252.402 1.874 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CN1CC[NH+](CCCOC(C)(C)C)CC1 ZINC000880415533 775823962 /nfs/dbraw/zinc/82/39/62/775823962.db2.gz QNJIIPSCVIZFRN-MRXNPFEDSA-N 2 0 297.487 1.903 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(C)(C)[C@@H]([NH3+])C(C)C ZINC000713006648 775867674 /nfs/dbraw/zinc/86/76/74/775867674.db2.gz ASJPQMABFBSRDU-KGLIPLIRSA-N 2 0 283.460 1.939 10 0 CDAERP CC1(C)C[C@@H]([NH2+][C@H](CCO)C2CCOCC2)C[C@@H]([NH3+])C1 ZINC000925639106 775903329 /nfs/dbraw/zinc/90/33/29/775903329.db2.gz JEJVINPYUPWPFN-QLFBSQMISA-N 2 0 284.444 1.660 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000926719871 775956709 /nfs/dbraw/zinc/95/67/09/775956709.db2.gz XZRKVEFPUXCUFH-GODZRQRCSA-N 2 0 293.455 1.563 10 0 CDAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CC[C@H]1CCCO1)CC2 ZINC000923451320 775964897 /nfs/dbraw/zinc/96/48/97/775964897.db2.gz MZHUMJLMCRUPFW-ZIAGYGMSSA-N 2 0 268.401 1.385 10 0 CDAERP COc1ccccc1[C@@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925807749 775990193 /nfs/dbraw/zinc/99/01/93/775990193.db2.gz HPAGRBKTKDQRIJ-CYBMUJFWSA-N 2 0 277.412 1.769 10 0 CDAERP C[NH+](C)CC1CCC([NH2+]C[C@H](O)c2ccccn2)CC1 ZINC000853102147 776017224 /nfs/dbraw/zinc/01/72/24/776017224.db2.gz GKQCYUUWWKRMPF-XUJLQICISA-N 2 0 277.412 1.825 10 0 CDAERP C[C@@H](CC1CCC1)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925853603 776034763 /nfs/dbraw/zinc/03/47/63/776034763.db2.gz QBTURFHWYKTLPQ-GXTWGEPZSA-N 2 0 280.412 1.840 10 0 CDAERP CCN(CC)C(=O)C[N@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923298055 776058837 /nfs/dbraw/zinc/05/88/37/776058837.db2.gz LBSAJGXKEBSGQW-GOOCMWNKSA-N 2 0 281.444 1.707 10 0 CDAERP CC1(C)[NH2+]CC[C@H]1NCC[C@H]([NH3+])Cc1ccccc1 ZINC000925725471 776164255 /nfs/dbraw/zinc/16/42/55/776164255.db2.gz LAXQDVVJEWRFGZ-LSDHHAIUSA-N 2 0 261.413 1.677 10 0 CDAERP C[C@@H]([NH2+]CCC[NH3+])c1ccc(N2CCOC2=O)cc1 ZINC000817938958 776187599 /nfs/dbraw/zinc/18/75/99/776187599.db2.gz WJCIMHLDXOKFOG-LLVKDONJSA-N 2 0 263.341 1.643 10 0 CDAERP Cn1cnc(CCC[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)n1 ZINC000925708493 776271877 /nfs/dbraw/zinc/27/18/77/776271877.db2.gz STTNOHXCZNUEGG-LSDHHAIUSA-N 2 0 291.443 1.506 10 0 CDAERP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cnc3c(cnn3C)c2)C1 ZINC000865417365 776280731 /nfs/dbraw/zinc/28/07/31/776280731.db2.gz IHVUIVSSEPIYFY-GFCCVEGCSA-N 2 0 273.384 1.400 10 0 CDAERP CCCOC(=O)[C@@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000843387891 776293789 /nfs/dbraw/zinc/29/37/89/776293789.db2.gz XUACTCDBVOWJLB-UPJWGTAASA-N 2 0 254.374 1.260 10 0 CDAERP CCON(C)C(=O)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000846062372 776304358 /nfs/dbraw/zinc/30/43/58/776304358.db2.gz GARATPLGIGUYRA-UHFFFAOYSA-N 2 0 292.383 1.050 10 0 CDAERP CC[C@@H](C)CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870019732 776326574 /nfs/dbraw/zinc/32/65/74/776326574.db2.gz NWJGDORYFRUXQH-RBSFLKMASA-N 2 0 283.460 1.620 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C[NH2+]1 ZINC000861602663 776356632 /nfs/dbraw/zinc/35/66/32/776356632.db2.gz MQXZBTMFHLTPQH-YIYPIFLZSA-N 2 0 282.432 1.299 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@](C)(O)c1ccc(F)cc1 ZINC000817918765 776576833 /nfs/dbraw/zinc/57/68/33/776576833.db2.gz XGFIQGHEUPVIJQ-HUUCEWRRSA-N 2 0 284.375 1.377 10 0 CDAERP CC[N@@H+]1CC[C@H](CNCc2cnc(C3OCCO3)s2)C1 ZINC000787923719 776599098 /nfs/dbraw/zinc/59/90/98/776599098.db2.gz NIUVEWMQJFLBAO-LLVKDONJSA-N 2 0 297.424 1.620 10 0 CDAERP CC[NH+](CC)CCC[C@H](C)[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000716076960 776608258 /nfs/dbraw/zinc/60/82/58/776608258.db2.gz UKXDRXWSPJJTFD-HSBZDZAISA-N 2 0 290.473 1.662 10 0 CDAERP C[N@H+](CCCCCC[NH3+])CC(=O)NCc1ccccn1 ZINC000872155037 776830388 /nfs/dbraw/zinc/83/03/88/776830388.db2.gz AGKKURUTLDNDGT-UHFFFAOYSA-N 2 0 278.400 1.149 10 0 CDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H]([NH3+])CC1CC1 ZINC000309848675 776836715 /nfs/dbraw/zinc/83/67/15/776836715.db2.gz ZGPHQRFHPBCBAW-CZUORRHYSA-N 2 0 289.423 1.751 10 0 CDAERP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000924657113 776891322 /nfs/dbraw/zinc/89/13/22/776891322.db2.gz FPOQQZSVSWREAN-ZSHCYNCHSA-N 2 0 283.460 1.275 10 0 CDAERP C[C@H]1[C@H]2CC[C@@H](C[C@H]1NC1CC[NH+](C3CC3)CC1)[NH2+]2 ZINC000709473924 776916102 /nfs/dbraw/zinc/91/61/02/776916102.db2.gz HDPUSPJAUGAJFN-DDUYRFODSA-N 2 0 263.429 1.732 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCOC23CCOCC3)C1 ZINC000925219585 776916680 /nfs/dbraw/zinc/91/66/80/776916680.db2.gz DSSUSDQKZAGNNG-RBSFLKMASA-N 2 0 282.428 1.787 10 0 CDAERP COC[C@H](C)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720845073 776960742 /nfs/dbraw/zinc/96/07/42/776960742.db2.gz OYRLYVDBGDSMBK-OPRDCNLKSA-N 2 0 254.296 1.338 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)COC1CC1 ZINC000878589189 777012593 /nfs/dbraw/zinc/01/25/93/777012593.db2.gz GPVVZFZRFBJTNT-AWEZNQCLSA-N 2 0 297.443 1.040 10 0 CDAERP C[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000923410877 777030120 /nfs/dbraw/zinc/03/01/20/777030120.db2.gz LBFAMPADDZYVFF-QKCSRTOESA-N 2 0 252.333 1.386 10 0 CDAERP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)C(C)(C)CO ZINC000924656933 777054745 /nfs/dbraw/zinc/05/47/45/777054745.db2.gz DOVKWAVCAPBTFG-CQSZACIVSA-N 2 0 271.449 1.011 10 0 CDAERP C[C@@H](C[NH2+][C@H]1CC2CCC1CC2)N1CC[NH+](C)CC1 ZINC000924960644 777181646 /nfs/dbraw/zinc/18/16/46/777181646.db2.gz LGLZOXBUDHVIRM-LBDPXKHJSA-N 2 0 265.445 1.791 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](C[C@@H](O)CC(F)(F)F)C1 ZINC000923415431 777207095 /nfs/dbraw/zinc/20/70/95/777207095.db2.gz PRYPGWWHBKSUFZ-JQWIXIFHSA-N 2 0 282.350 1.997 10 0 CDAERP CCCCc1noc(CN2CC[C@H](C[NH3+])[C@H](C)C2)n1 ZINC000923502285 777214146 /nfs/dbraw/zinc/21/41/46/777214146.db2.gz YOHOLBYOQPZXAK-VXGBXAGGSA-N 2 0 266.389 1.829 10 0 CDAERP CC(C)[C@@H](CNC(=O)[C@H]1CC[C@@H]([NH3+])C1)[NH+]1CCC(C)CC1 ZINC000246704122 777249890 /nfs/dbraw/zinc/24/98/90/777249890.db2.gz WLILTIJTQYUKJK-ARFHVFGLSA-N 2 0 295.471 1.987 10 0 CDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(F)nc2)CC1 ZINC000189339195 777276535 /nfs/dbraw/zinc/27/65/35/777276535.db2.gz FLRFSRJCCDFELL-ZDUSSCGKSA-N 2 0 295.402 1.745 10 0 CDAERP CN1Cc2ccccc2[C@@H]1CNC(=O)[C@H]([NH3+])C1CCC1 ZINC000870979950 777308677 /nfs/dbraw/zinc/30/86/77/777308677.db2.gz UMQOSRNGRARIKZ-LSDHHAIUSA-N 2 0 273.380 1.417 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]CCOc2ncccc2Cl)C12CCC2 ZINC000925585890 777373821 /nfs/dbraw/zinc/37/38/21/777373821.db2.gz AYHOJBRETRINAO-NEPJUHHUSA-N 2 0 281.787 1.973 10 0 CDAERP CC(C)NC(=O)[C@H]1CCC[N@H+](CCCCCC[NH3+])C1 ZINC000852761049 777519172 /nfs/dbraw/zinc/51/91/72/777519172.db2.gz PQUJZTJVYSPYMG-AWEZNQCLSA-N 2 0 269.433 1.742 10 0 CDAERP CC1(CC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)OCCO1 ZINC000925640383 777526559 /nfs/dbraw/zinc/52/65/59/777526559.db2.gz RUIPXDBNLXCMJD-GJZGRUSLSA-N 2 0 282.428 1.897 10 0 CDAERP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)N[C@H]1CC[NH+](C)[C@@H]1C ZINC000925348498 777581535 /nfs/dbraw/zinc/58/15/35/777581535.db2.gz PUZXBXFEQLUBCI-KFWWJZLASA-N 2 0 296.459 1.451 10 0 CDAERP C[C@H](CN[C@@H]1CC[NH2+]C12CCC2)C[NH+]1CCCC1 ZINC000925480834 777673910 /nfs/dbraw/zinc/67/39/10/777673910.db2.gz NVWYBSVVQHVPAH-ZIAGYGMSSA-N 2 0 251.418 1.593 10 0 CDAERP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1nccc2c1CCCC2 ZINC000925807138 777681597 /nfs/dbraw/zinc/68/15/97/777681597.db2.gz SYIJGENKIGMFMR-APHBMKBZSA-N 2 0 289.423 1.802 10 0 CDAERP [NH3+]CC1(CC[NH2+]Cc2cc(C(F)(F)F)n[nH]2)CC1 ZINC000844904064 777795799 /nfs/dbraw/zinc/79/57/99/777795799.db2.gz YENNIZFOJJSOPD-UHFFFAOYSA-N 2 0 262.279 1.647 10 0 CDAERP C[C@H]1C[C@@H](C[NH+]2CCC(O)(C[NH+](C)C)CC2)CCO1 ZINC000931482605 777811668 /nfs/dbraw/zinc/81/16/68/777811668.db2.gz ZHXJLCJSBGJYAE-KBPBESRZSA-N 2 0 270.417 1.190 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C[C@H]([NH3+])C1CC1 ZINC000137434765 777854865 /nfs/dbraw/zinc/85/48/65/777854865.db2.gz IHXMAEMSKDUHNS-BNOWGMLFSA-N 2 0 265.401 1.199 10 0 CDAERP CNC(=O)C[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925688961 777887593 /nfs/dbraw/zinc/88/75/93/777887593.db2.gz SCZRWZVTDQIYJZ-IACUBPJLSA-N 2 0 267.417 1.269 10 0 CDAERP C[NH+](C)C[C@@H]1CN(c2ccncc2Cl)C[C@H]1C[NH+](C)C ZINC000866012233 778153305 /nfs/dbraw/zinc/15/33/05/778153305.db2.gz VAZAYSOYBQMBIW-CHWSQXEVSA-N 2 0 296.846 1.911 10 0 CDAERP C[C@@H](C[C@@H]1CCOC1)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000850500181 778174744 /nfs/dbraw/zinc/17/47/44/778174744.db2.gz DQCMDMDMNJYOED-JYJNAYRXSA-N 2 0 285.476 1.663 10 0 CDAERP C([NH2+]C[C@@H]1CCCOC1)C1CC[NH+](C2CCOCC2)CC1 ZINC000850344685 778272101 /nfs/dbraw/zinc/27/21/01/778272101.db2.gz SGHDYSWETKNUOC-INIZCTEOSA-N 2 0 296.455 1.894 10 0 CDAERP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccnnc1 ZINC000925024716 778322329 /nfs/dbraw/zinc/32/23/29/778322329.db2.gz XAMSFXAFSWFWQD-DZGCQCFKSA-N 2 0 278.400 1.364 10 0 CDAERP CCOC(=O)CC(C)(C)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000838862066 778325734 /nfs/dbraw/zinc/32/57/34/778325734.db2.gz DAGXHDHXHOKVQY-TXEJJXNPSA-N 2 0 254.374 1.117 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000715572247 778406143 /nfs/dbraw/zinc/40/61/43/778406143.db2.gz QZAJOWMCFVPTNP-JYKNGBAOSA-N 2 0 265.401 1.103 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)C[C@@H](O)CC1CCCC1 ZINC000706611427 778407981 /nfs/dbraw/zinc/40/79/81/778407981.db2.gz MPXABFJDZSMNEU-AWEZNQCLSA-N 2 0 258.406 1.095 10 0 CDAERP C[N@H+](CCCC[NH2+][C@H]1CN2C[C@@H]1CCC2)C1CC1 ZINC000926559935 778447504 /nfs/dbraw/zinc/44/75/04/778447504.db2.gz QXQDMWVJPMLDNM-ZFWWWQNUSA-N 2 0 251.418 1.545 10 0 CDAERP C(C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)O[C@H]1CCOC1 ZINC000930061239 778462391 /nfs/dbraw/zinc/46/23/91/778462391.db2.gz PNEVSWAVTIZRBS-HYVNUMGLSA-N 2 0 294.439 1.741 10 0 CDAERP C([NH2+][C@@H]1CCCCC12CC[NH2+]CC2)C12CC(C1)C[NH2+]2 ZINC000873231054 778489778 /nfs/dbraw/zinc/48/97/78/778489778.db2.gz FTBPAVJLWVLRAN-NPCAHTBFSA-N 3 0 263.429 1.640 10 0 CDAERP CN1CCC[C@H]([N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)C1=O ZINC000866705970 778554319 /nfs/dbraw/zinc/55/43/19/778554319.db2.gz DGLKMCYCCOMSQD-SWLSCSKDSA-N 2 0 267.417 1.304 10 0 CDAERP CC1(C)CO[C@@H](C[NH+]2CCC(OCCC[NH3+])CC2)C1 ZINC000708357391 778575142 /nfs/dbraw/zinc/57/51/42/778575142.db2.gz ZWLHIFIDCGKLKJ-CQSZACIVSA-N 2 0 270.417 1.631 10 0 CDAERP C[NH+]1C[C@]2(C)CN(C(=O)CC[NH2+]C(C)(C)C)C[C@@]2(C)C1 ZINC000707091117 778657129 /nfs/dbraw/zinc/65/71/29/778657129.db2.gz XDUCKBLNSITNDV-HZPDHXFCSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H]([NH2+]CCc1nnc2ccccn21)[C@H]1CCC[NH2+]C1 ZINC000711037219 778666255 /nfs/dbraw/zinc/66/62/55/778666255.db2.gz VKAAYOKRQJIUQJ-OLZOCXBDSA-N 2 0 273.384 1.250 10 0 CDAERP CC1(C[NH2+]C[C@H](O)C[NH+]2CCCC2)CC(F)(F)C1 ZINC000720949702 778724467 /nfs/dbraw/zinc/72/44/67/778724467.db2.gz NRZBXTCRZIJJCR-NSHDSACASA-N 2 0 262.344 1.468 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000715536015 778803186 /nfs/dbraw/zinc/80/31/86/778803186.db2.gz DILNNSILAFMJGG-FQUUOJAGSA-N 2 0 267.417 1.350 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+][C@H]1CCOC[C@@H]1C(C)C ZINC000926150021 778809460 /nfs/dbraw/zinc/80/94/60/778809460.db2.gz ICTYWKMURINAJZ-CVEARBPZSA-N 2 0 286.460 1.996 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000717999965 778821505 /nfs/dbraw/zinc/82/15/05/778821505.db2.gz ZNFMZMKXANDOTJ-TUVASFSCSA-N 2 0 279.428 1.589 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925699895 778824052 /nfs/dbraw/zinc/82/40/52/778824052.db2.gz LVKUAMLFWKNGSN-YIYPIFLZSA-N 3 0 253.434 1.870 10 0 CDAERP CC(C)c1cc([C@H]2CCC[N@H+](CCOCC[NH3+])C2)[nH]n1 ZINC000872146848 778829715 /nfs/dbraw/zinc/82/97/15/778829715.db2.gz ZBBABJSTIQXEEH-ZDUSSCGKSA-N 2 0 280.416 1.688 10 0 CDAERP CC(C)N1CCC[C@@H]([N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)C1=O ZINC000923495818 778856637 /nfs/dbraw/zinc/85/66/37/778856637.db2.gz FKWXEXKPHLISPW-HZSPNIEDSA-N 2 0 267.417 1.303 10 0 CDAERP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@H]1CCC3(COC3)O1)C2 ZINC000930601797 778861259 /nfs/dbraw/zinc/86/12/59/778861259.db2.gz KCHYDOPWSIZOHU-CABCVRRESA-N 2 0 280.412 1.352 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)CC1(C)C ZINC000865690808 778950694 /nfs/dbraw/zinc/95/06/94/778950694.db2.gz NQVWMSFKPBPWEZ-GXYBRJDSSA-N 2 0 264.413 1.872 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)C[C@H]([NH3+])C2CC2)CC1 ZINC000828037811 778983227 /nfs/dbraw/zinc/98/32/27/778983227.db2.gz JULGAWVKYIPSJQ-AWEZNQCLSA-N 2 0 267.417 1.352 10 0 CDAERP C[C@@H](CCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C)[NH+]1CCCCC1 ZINC000921934650 779005180 /nfs/dbraw/zinc/00/51/80/779005180.db2.gz TYCPNPKTXDKXFY-ZNMIVQPWSA-N 2 0 296.459 1.643 10 0 CDAERP [NH3+]CCOc1ccc(NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)cc1 ZINC000870912163 779055256 /nfs/dbraw/zinc/05/52/56/779055256.db2.gz AGEBRIULIYRGME-ZETOZRRWSA-N 2 0 275.352 1.090 10 0 CDAERP CCCN(CC[NH+](CC)CC)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000925333957 779069083 /nfs/dbraw/zinc/06/90/83/779069083.db2.gz YKYGQKOILKDLBK-LSDHHAIUSA-N 2 0 298.475 1.842 10 0 CDAERP CC[NH+]1CCC([NH2+]C[C@@]2(OC(C)C)CCOC2)CC1 ZINC000722350637 779118154 /nfs/dbraw/zinc/11/81/54/779118154.db2.gz ZLEIOPFPASJFQN-HNNXBMFYSA-N 2 0 270.417 1.644 10 0 CDAERP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2[C@@H](C)COC[C@H]2C)CC1 ZINC000924667422 779128098 /nfs/dbraw/zinc/12/80/98/779128098.db2.gz JVEBZMBIEFXQSK-XUWVNRHRSA-N 2 0 283.460 1.273 10 0 CDAERP C[C@@H]1C[C@@H]1NC(=[NH2+])NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000864461502 779147411 /nfs/dbraw/zinc/14/74/11/779147411.db2.gz DSLKZPKTGVIJBR-DOMZBBRYSA-N 2 0 287.411 1.820 10 0 CDAERP [NH3+]CCOCC[N@@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000923549018 779161389 /nfs/dbraw/zinc/16/13/89/779161389.db2.gz DRNKYNOOQICNOC-CQSZACIVSA-N 2 0 256.390 1.100 10 0 CDAERP CC[N@H+](C)C[C@@H]1CCN(C[C@@](O)(CC)C(F)(F)F)C1 ZINC000929788661 779161941 /nfs/dbraw/zinc/16/19/41/779161941.db2.gz ASJJGTYJFHOMML-RYUDHWBXSA-N 2 0 282.350 1.963 10 0 CDAERP CCCC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000066245817 779324856 /nfs/dbraw/zinc/32/48/56/779324856.db2.gz NYIIFORBBZVYCN-GJZGRUSLSA-N 2 0 296.459 1.724 10 0 CDAERP C([NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000723645592 779332026 /nfs/dbraw/zinc/33/20/26/779332026.db2.gz HNUONUDHWMJYGU-CBBWQLFWSA-N 2 0 252.402 1.781 10 0 CDAERP CCC[C@@](C)(O)C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925611405 779344433 /nfs/dbraw/zinc/34/44/33/779344433.db2.gz MPPJTKZVJHPUTF-QVHKTLOISA-N 2 0 254.418 1.904 10 0 CDAERP CON(C)C(=O)CC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000799124544 779374443 /nfs/dbraw/zinc/37/44/43/779374443.db2.gz NGJXUMXJOIEGSO-CQSZACIVSA-N 2 0 283.416 1.347 10 0 CDAERP CN1C(=O)c2ccccc2[C@@H]1C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925716110 779424600 /nfs/dbraw/zinc/42/46/00/779424600.db2.gz BBHZUBJQUPRCIT-KKUMJFAQSA-N 2 0 285.391 1.673 10 0 CDAERP CCO[C@H](CN[C@@H]1CCCCC[C@H]1[NH3+])C[NH+](C)C ZINC000925838165 779431742 /nfs/dbraw/zinc/43/17/42/779431742.db2.gz KDVBOXAMJPRFJB-MGPQQGTHSA-N 2 0 257.422 1.203 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000861638709 779440998 /nfs/dbraw/zinc/44/09/98/779440998.db2.gz FNKBXLZAABRCFW-LSDHHAIUSA-N 2 0 290.411 1.128 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)NC2CC[NH+](C3CCC3)CC2)CC[N@@H+]1C ZINC000922768690 779544622 /nfs/dbraw/zinc/54/46/22/779544622.db2.gz KWJDDHTYBLYUEL-DOMZBBRYSA-N 2 0 294.443 1.395 10 0 CDAERP C[C@@H](CCCCO)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925782096 779748547 /nfs/dbraw/zinc/74/85/47/779748547.db2.gz KWLQUINRZBZFPG-WDEREUQCSA-N 2 0 250.333 1.372 10 0 CDAERP CC(C)(C[NH3+])C1CC[NH+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)CC1 ZINC000724587364 779790475 /nfs/dbraw/zinc/79/04/75/779790475.db2.gz ASGSEHWRLATACA-SNPRPXQTSA-N 2 0 282.428 1.487 10 0 CDAERP NC(=O)[C@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925702160 779820852 /nfs/dbraw/zinc/82/08/52/779820852.db2.gz MKMWNSSCQGHRGJ-CRWXNKLISA-N 2 0 265.401 1.008 10 0 CDAERP C([C@@H]1CC2(C[NH2+]C2)CO1)[NH+]1CCC2(CCSCC2)CC1 ZINC000923409666 779899309 /nfs/dbraw/zinc/89/93/09/779899309.db2.gz DEQFSCQVYZPKRH-AWEZNQCLSA-N 2 0 296.480 1.974 10 0 CDAERP C[NH+](C)CC1(CN[C@@H]2C[C@H]([NH3+])C23CCC3)CCCC1 ZINC000925639026 779914977 /nfs/dbraw/zinc/91/49/77/779914977.db2.gz ISAYLDLTLMISDG-UONOGXRCSA-N 2 0 265.445 1.968 10 0 CDAERP Cc1cc(N2CCC(C[NH+]3CCCC3)CC2)nc(N)[nH+]1 ZINC000052357572 779980207 /nfs/dbraw/zinc/98/02/07/779980207.db2.gz QWFGHKKEXPINFX-UHFFFAOYSA-N 2 0 275.400 1.679 10 0 CDAERP CO[C@@H]1CCC[C@H]([NH2+]CCCCCN2CC[NH2+]CC2)C1 ZINC000925845247 780007806 /nfs/dbraw/zinc/00/78/06/780007806.db2.gz FRFGCLTYOAJOTF-JKSUJKDBSA-N 2 0 283.460 1.609 10 0 CDAERP C[C@H]1C[N@H+](CCc2ccc(C(N)=O)cc2)CC[C@@H]1C[NH3+] ZINC000923491042 780077512 /nfs/dbraw/zinc/07/75/12/780077512.db2.gz QJSYHXCDOITZFC-SWLSCSKDSA-N 2 0 275.396 1.245 10 0 CDAERP [NH3+][C@H]1CN(CCC[NH2+]C2CC2)CC[C@@H]1C(F)(F)F ZINC000923431743 780096450 /nfs/dbraw/zinc/09/64/50/780096450.db2.gz XHJSHYSPCOJNQG-QWRGUYRKSA-N 2 0 265.323 1.340 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](O)c1cc(C)cc(C)c1 ZINC000817930104 780119990 /nfs/dbraw/zinc/11/99/90/780119990.db2.gz MRVHDNHAHYNTGQ-JKSUJKDBSA-N 2 0 280.412 1.680 10 0 CDAERP COc1ccc(C[C@@H](C)[NH2+]CCN2CCC([NH3+])CC2)cn1 ZINC000925817640 780160215 /nfs/dbraw/zinc/16/02/15/780160215.db2.gz UMRSTMPZJJAODN-CYBMUJFWSA-N 2 0 292.427 1.034 10 0 CDAERP C(COC1CCOCC1)[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000925877622 780164625 /nfs/dbraw/zinc/16/46/25/780164625.db2.gz KNTFIPUWECILMZ-OAGGEKHMSA-N 2 0 282.428 1.692 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000711283190 780183615 /nfs/dbraw/zinc/18/36/15/780183615.db2.gz QFNIZBHJBBYWHK-CYBMUJFWSA-N 2 0 267.417 1.221 10 0 CDAERP CC(C)OCCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001571380218 1167593480 /nfs/dbraw/zinc/59/34/80/1167593480.db2.gz KKJGBTAVBYYWPN-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP CN(CC[NH2+]CCC1CC1)C(=O)C[N@H+](C)CC(C)(C)C ZINC001567561522 1168064297 /nfs/dbraw/zinc/06/42/97/1168064297.db2.gz SCSCUKZZBWMHTF-UHFFFAOYSA-N 2 0 283.460 1.812 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1CC=C(C)C ZINC001565831968 1168177717 /nfs/dbraw/zinc/17/77/17/1168177717.db2.gz RJBUFSKYKSKFAW-OAHLLOKOSA-N 2 0 281.444 1.827 10 0 CDAERP COCC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001565938492 1168203801 /nfs/dbraw/zinc/20/38/01/1168203801.db2.gz JKYMADSCDWDTSX-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]CCOC ZINC001566535990 1168322365 /nfs/dbraw/zinc/32/23/65/1168322365.db2.gz YOFCZLKKDSQTTD-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC001587298206 1168455947 /nfs/dbraw/zinc/45/59/47/1168455947.db2.gz JHSZPKZTUJJLFT-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP CC1CC(C[N@@H+]2CC[C@@H]2CNC(=O)CCCC[NH+](C)C)C1 ZINC001483694246 912867880 /nfs/dbraw/zinc/86/78/80/912867880.db2.gz UVWXHRLLDHGXGI-UYSNPLJNSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](C)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001493546256 913252808 /nfs/dbraw/zinc/25/28/08/913252808.db2.gz NZRWZTOGGBUAER-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1CC[N@H+](CC(C)C)C1)[NH+](C)C ZINC001266325291 894395208 /nfs/dbraw/zinc/39/52/08/894395208.db2.gz LOLKRYSZZJWMDO-CHWSQXEVSA-N 2 0 255.406 1.173 10 0 CDAERP CC[C@@H](C[NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCC1)OC ZINC001567542189 1168840521 /nfs/dbraw/zinc/84/05/21/1168840521.db2.gz RJZBOOXMFKJXJF-AWEZNQCLSA-N 2 0 299.459 1.334 10 0 CDAERP CCOCC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001267026820 896591278 /nfs/dbraw/zinc/59/12/78/896591278.db2.gz WFTSRDGDBOQTBH-HNNXBMFYSA-N 2 0 297.443 1.089 10 0 CDAERP CC[C@@H](C(=O)N1CC[C@H](C[NH2+]C/C=C\Cl)C1)[NH+](C)C ZINC001267059378 896659514 /nfs/dbraw/zinc/65/95/14/896659514.db2.gz VYMMCCFDPBTPHM-XHSUHYBKSA-N 2 0 287.835 1.517 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccsc2)C12CCC2 ZINC000405388570 897604896 /nfs/dbraw/zinc/60/48/96/897604896.db2.gz FRPAGLSJQGMBRE-TUAOUCFPSA-N 2 0 252.383 1.641 10 0 CDAERP Cc1ccc(CC[NH2+]CCN(C)C(=O)CC[NH+](C)C)cc1 ZINC001267424281 897889201 /nfs/dbraw/zinc/88/92/01/897889201.db2.gz JEKABDQYPVGWER-UHFFFAOYSA-N 2 0 291.439 1.537 10 0 CDAERP CC[NH2+]CCN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001267470677 898083340 /nfs/dbraw/zinc/08/33/40/898083340.db2.gz LSUXNWYXBAEODF-UHFFFAOYSA-N 2 0 255.406 1.320 10 0 CDAERP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001176657388 914232235 /nfs/dbraw/zinc/23/22/35/914232235.db2.gz OCHMCCFEBALYOI-XHSDSOJGSA-N 2 0 266.429 1.810 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@@H]1C[NH2+]CC1CC1 ZINC001419834869 898625911 /nfs/dbraw/zinc/62/59/11/898625911.db2.gz BKVHKTXRIYLCJO-ZBFHGGJFSA-N 2 0 295.471 1.953 10 0 CDAERP CCC(CC)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001481216347 899404614 /nfs/dbraw/zinc/40/46/14/899404614.db2.gz YMMRGLWZWRQKSD-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)OCC[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001481229075 899511166 /nfs/dbraw/zinc/51/11/66/899511166.db2.gz MZGNMLHQNMUHQE-HNNXBMFYSA-N 2 0 299.459 1.332 10 0 CDAERP CCCC[NH2+][C@H](CC)CNC(=O)C12CC[NH+](CC1)C2 ZINC001267827657 899823728 /nfs/dbraw/zinc/82/37/28/899823728.db2.gz LLRDYLOKBOLWSW-CYBMUJFWSA-N 2 0 267.417 1.367 10 0 CDAERP C[C@@H](CC[NH+](C)C)[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000695909987 900091388 /nfs/dbraw/zinc/09/13/88/900091388.db2.gz MNIMOAGRNUQZSE-LBPRGKRZSA-N 2 0 285.432 1.783 10 0 CDAERP CC[C@H](C(=O)N(C)CC[NH2+]C/C=C\Cl)[NH+](C)C ZINC001481304057 900279899 /nfs/dbraw/zinc/27/98/99/900279899.db2.gz HHGSCOSEKUIQPS-JMEBYUIHSA-N 2 0 261.797 1.127 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]CCC(F)(F)F ZINC001268013804 900295153 /nfs/dbraw/zinc/29/51/53/900295153.db2.gz FKUFLSXLPBLTHW-GHMZBOCLSA-N 2 0 295.349 1.232 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001421742131 900819439 /nfs/dbraw/zinc/81/94/39/900819439.db2.gz LPFXIKJQVCQLKQ-OCCSQVGLSA-N 2 0 287.423 1.418 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CCCCCF)C1 ZINC001481537888 901107384 /nfs/dbraw/zinc/10/73/84/901107384.db2.gz LJGOVJJNAZBOHR-AWEZNQCLSA-N 2 0 287.423 1.659 10 0 CDAERP CC(C)C[C@H](C[NH2+]CCCF)NC(=O)C12CC[NH+](CC1)C2 ZINC001268115623 901326707 /nfs/dbraw/zinc/32/67/07/901326707.db2.gz VZQUXGMEYXJYBF-CQSZACIVSA-N 2 0 299.434 1.562 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C(C)C ZINC001481670037 901770907 /nfs/dbraw/zinc/77/09/07/901770907.db2.gz AMODRKBEDLGZIV-IHRRRGAJSA-N 2 0 285.407 1.360 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)Cn2ccnc2)C1 ZINC001481710159 901892621 /nfs/dbraw/zinc/89/26/21/901892621.db2.gz FIZDTTMHYKYOLC-VQTKUKTRSA-N 2 0 276.384 1.430 10 0 CDAERP Cc1nocc1C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001268348302 901912167 /nfs/dbraw/zinc/91/21/67/901912167.db2.gz GLLUPCYSUPQYFH-RISCZKNCSA-N 2 0 294.399 1.062 10 0 CDAERP CC(C)=CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001268424461 902037956 /nfs/dbraw/zinc/03/79/56/902037956.db2.gz VEXZDRIDCJDNQL-KBPBESRZSA-N 2 0 267.417 1.389 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CCC(C)C ZINC001481812831 902166495 /nfs/dbraw/zinc/16/64/95/902166495.db2.gz UQKXBHIAJUKEMZ-JKSUJKDBSA-N 2 0 295.471 1.859 10 0 CDAERP CCN(CC[NH2+]CC[C@H](C)F)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001268479045 902295202 /nfs/dbraw/zinc/29/52/02/902295202.db2.gz CHDJVCDNXVBRIT-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP CCCC[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001268556514 902555354 /nfs/dbraw/zinc/55/53/54/902555354.db2.gz POEIHQILVYYKAC-PSKZRQQASA-N 2 0 267.417 1.533 10 0 CDAERP COC[C@@H](C)[NH2+]C/C=C\CNC(=O)CC1CC[NH+](C)CC1 ZINC001268594193 902716317 /nfs/dbraw/zinc/71/63/17/902716317.db2.gz AKVZUPMKXLVBRC-ZRUQZJFASA-N 2 0 297.443 1.015 10 0 CDAERP CC(C)CC[N@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001268744887 903068659 /nfs/dbraw/zinc/06/86/59/903068659.db2.gz DOFDSJHYIUOSJA-ZDUSSCGKSA-N 2 0 257.422 1.421 10 0 CDAERP CN(CCC[NH2+]CC[C@H]1CCCO1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001268782712 903119021 /nfs/dbraw/zinc/11/90/21/903119021.db2.gz BCJHOCJYCJDTEW-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C1CC1 ZINC001362074618 903173045 /nfs/dbraw/zinc/17/30/45/903173045.db2.gz XBNVZEFCQSXWOC-RBSFLKMASA-N 2 0 281.444 1.563 10 0 CDAERP CN(C(=O)CCCC[NH+](C)C)[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001269293202 903658571 /nfs/dbraw/zinc/65/85/71/903658571.db2.gz TXUMHPFRPQWAOR-OAHLLOKOSA-N 2 0 281.444 1.661 10 0 CDAERP CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001269505518 903870654 /nfs/dbraw/zinc/87/06/54/903870654.db2.gz GXIXEYIRYDIWNV-QWHCGFSZSA-N 2 0 265.401 1.262 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC2(C[NH2+]CCCF)CCCC2)C1 ZINC001269575845 903944527 /nfs/dbraw/zinc/94/45/27/903944527.db2.gz RJPLIBKTBVLCBM-AWEZNQCLSA-N 2 0 299.434 1.706 10 0 CDAERP C[C@H](C[NH2+]C[C@@H]1CC(C)(C)CO1)NC(=O)CCC[NH+](C)C ZINC001422552786 904840625 /nfs/dbraw/zinc/84/06/25/904840625.db2.gz VMAALTDPPBMRME-KGLIPLIRSA-N 2 0 299.459 1.238 10 0 CDAERP C[N@H+](CC(=O)NCC1([NH2+]CCCF)CCCC1)C1CCC1 ZINC001270757150 905023037 /nfs/dbraw/zinc/02/30/37/905023037.db2.gz LKEZIOYTRAONEX-UHFFFAOYSA-N 2 0 299.434 1.849 10 0 CDAERP CC(C)C[C@H](C[NH2+]CC1CC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482397341 905294438 /nfs/dbraw/zinc/29/44/38/905294438.db2.gz YFJBSXYAVXLIET-HZPDHXFCSA-N 2 0 295.471 1.859 10 0 CDAERP [NH3+]C1(Cc2nc(-c3ccn4c[nH+]cc4c3)no2)CCC1 ZINC000843227108 921303472 /nfs/dbraw/zinc/30/34/72/921303472.db2.gz SUWLBKPANDVGNE-UHFFFAOYSA-N 2 0 269.308 1.808 10 0 CDAERP CC[C@@H](C)C[NH2+]CC[C@H](C)NC(=O)Cn1cncc1C ZINC001482853663 908430550 /nfs/dbraw/zinc/43/05/50/908430550.db2.gz QBLMMTKZPNCHLV-OLZOCXBDSA-N 2 0 280.416 1.722 10 0 CDAERP O=C(NC/C=C\C[NH2+]CC1CC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001483025074 908703866 /nfs/dbraw/zinc/70/38/66/908703866.db2.gz STFNHCHWODRTGJ-SUSYHVFKSA-N 2 0 291.439 1.675 10 0 CDAERP C[C@@H](F)CC[NH2+]C/C=C\CNC(=O)C12CCC[NH+]1CCC2 ZINC001483029839 908734598 /nfs/dbraw/zinc/73/45/98/908734598.db2.gz BMNMSNYSWNDNAM-PYLYLYNFSA-N 2 0 297.418 1.625 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]C/C=C/Cl)CC[N@@H+]1C ZINC001483129292 909697735 /nfs/dbraw/zinc/69/77/35/909697735.db2.gz AYEMPRASWXCAEM-DFIPAEPRSA-N 2 0 287.835 1.564 10 0 CDAERP CCCCNC(=O)[C@H](C)[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714485702 909745634 /nfs/dbraw/zinc/74/56/34/909745634.db2.gz KITPTVXFSKLGMG-ZDUSSCGKSA-N 2 0 283.460 1.988 10 0 CDAERP C[C@H](C[NH2+]C[C@@H]1CCC(F)(F)C1)NC(=O)CC[NH+](C)C ZINC001483162827 909893321 /nfs/dbraw/zinc/89/33/21/909893321.db2.gz PIMRLJGNPSXGDV-VXGBXAGGSA-N 2 0 291.386 1.468 10 0 CDAERP Cc1nocc1C[NH2+][C@@H](C)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001409365772 910336370 /nfs/dbraw/zinc/33/63/70/910336370.db2.gz ADOFOJANXVEWIC-RYUDHWBXSA-N 2 0 296.415 1.308 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CCC(F)(F)F ZINC001409428453 910393784 /nfs/dbraw/zinc/39/37/84/910393784.db2.gz HUAFBKZEGBYHOR-MNOVXSKESA-N 2 0 297.365 1.763 10 0 CDAERP C[C@@H](C[NH2+]C/C=C\Cl)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001483236140 910530286 /nfs/dbraw/zinc/53/02/86/910530286.db2.gz AHRPYRFQGLRAMK-PAELRZLGSA-N 2 0 287.835 1.708 10 0 CDAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[N@H+](C)CCC(C)(C)C ZINC001409635037 910575141 /nfs/dbraw/zinc/57/51/41/910575141.db2.gz JISHQWNKELAZRC-AWEZNQCLSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+]1CCC(C(=O)N2CCC[C@H](CC[NH2+]CCF)C2)CC1 ZINC001568065817 1169129603 /nfs/dbraw/zinc/12/96/03/1169129603.db2.gz FDWOYXSZQNZOPO-CQSZACIVSA-N 2 0 299.434 1.516 10 0 CDAERP CCC[NH2+]C[C@@H](NC(=O)C[N@H+](C)C1CCC1)C1CC1 ZINC001483566373 911263785 /nfs/dbraw/zinc/26/37/85/911263785.db2.gz OJTHLAZQJKSUDO-CQSZACIVSA-N 2 0 267.417 1.365 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@H]2CCCC[C@H]2C2CC2)CC1 ZINC000695970596 911570724 /nfs/dbraw/zinc/57/07/24/911570724.db2.gz ULNCCVNWXGUACQ-HOTGVXAUSA-N 2 0 265.445 1.968 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H]1C[NH2+]Cc1ccsc1 ZINC001483943338 915217213 /nfs/dbraw/zinc/21/72/13/915217213.db2.gz TZKQNJCUAXKNEU-AWEZNQCLSA-N 2 0 295.452 1.780 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]CCC1CC1 ZINC001483951802 915235574 /nfs/dbraw/zinc/23/55/74/915235574.db2.gz LQZUXHOVBJVDQS-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H](O)CCC[NH+]1CCC(C)(NC(=O)CC[NH+](C)C)CC1 ZINC001483970562 915246739 /nfs/dbraw/zinc/24/67/39/915246739.db2.gz CVUHAEQMKXJIBJ-AWEZNQCLSA-N 2 0 299.459 1.070 10 0 CDAERP COCC[NH2+]C1(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CCC1 ZINC001484663038 916010048 /nfs/dbraw/zinc/01/00/48/916010048.db2.gz FGCYDDMUHRBCTJ-ZIAGYGMSSA-N 2 0 297.443 1.134 10 0 CDAERP CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001485146928 916585065 /nfs/dbraw/zinc/58/50/65/916585065.db2.gz KLVWIQWTQMSONY-QWHCGFSZSA-N 2 0 269.433 1.754 10 0 CDAERP CC(C)[C@H]([NH3+])C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000715556245 919808492 /nfs/dbraw/zinc/80/84/92/919808492.db2.gz ACOMPTFYXISVMN-LXVYMNJGSA-N 2 0 255.406 1.349 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001485914218 920573803 /nfs/dbraw/zinc/57/38/03/920573803.db2.gz JDNUQVNSPOEOES-KKUMJFAQSA-N 2 0 283.460 1.809 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]C[C@@H]1CCCOC1 ZINC001485960735 920628999 /nfs/dbraw/zinc/62/89/99/920628999.db2.gz LADANHLFYQGOFQ-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP O=C(N[C@@H]1CC[C@H](C[NH2+]CCCF)C1)C12CC[NH+](CC1)C2 ZINC001486215750 920827207 /nfs/dbraw/zinc/82/72/07/920827207.db2.gz KXUCHZNAFJITBU-UONOGXRCSA-N 2 0 297.418 1.316 10 0 CDAERP CC(C)[NH2+]C[C@H]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001486222706 920833369 /nfs/dbraw/zinc/83/33/69/920833369.db2.gz ZQSKKNIZHBSNSP-UONOGXRCSA-N 2 0 269.433 1.610 10 0 CDAERP CCC[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001273554888 920891424 /nfs/dbraw/zinc/89/14/24/920891424.db2.gz RYIWNEIYDPXQLT-ZDUSSCGKSA-N 2 0 255.406 1.319 10 0 CDAERP CC(C)CCC[NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001568319599 1169243261 /nfs/dbraw/zinc/24/32/61/1169243261.db2.gz QJXMRCVMEFZDFW-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP C[NH+]1CCC(C[NH2+]CC(O)(C2CC2)C2CC2)CC1 ZINC000689616756 936779915 /nfs/dbraw/zinc/77/99/15/936779915.db2.gz SQSRKGKYRULLTR-UHFFFAOYSA-N 2 0 252.402 1.469 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001491004171 936840951 /nfs/dbraw/zinc/84/09/51/936840951.db2.gz ZVINYDOCZOSCSW-MJBXVCDLSA-N 2 0 267.417 1.364 10 0 CDAERP CSCC[C@@H](C)[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923315090 923734286 /nfs/dbraw/zinc/73/42/86/923734286.db2.gz FAKAGVHRLDPXAC-NEPJUHHUSA-N 2 0 258.431 1.438 10 0 CDAERP CC[N@@H+](Cc1ccccn1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923322278 923742581 /nfs/dbraw/zinc/74/25/81/923742581.db2.gz KIOLOROYIFKLTC-AWEZNQCLSA-N 2 0 261.369 1.282 10 0 CDAERP CC(C)N(C)C(=O)[C@H](C)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923449225 923842443 /nfs/dbraw/zinc/84/24/43/923842443.db2.gz LTYWYJUHZBQBNY-UONOGXRCSA-N 2 0 297.443 1.072 10 0 CDAERP CCOCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001568368396 1169262306 /nfs/dbraw/zinc/26/23/06/1169262306.db2.gz MGLQVMHXRMAUOQ-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCOCC)[C@@H](C)C1 ZINC001568368426 1169264420 /nfs/dbraw/zinc/26/44/20/1169264420.db2.gz FZHTWENYQWGADN-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP CCN(CC[NH2+]CCCF)C(=O)C[NH+]1CCC(C)CC1 ZINC001273673529 924127546 /nfs/dbraw/zinc/12/75/46/924127546.db2.gz DQTIARXGCVOVBV-UHFFFAOYSA-N 2 0 287.423 1.516 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CNC(=O)[C@H]1CCn2cncc2C1 ZINC001491508476 936926879 /nfs/dbraw/zinc/92/68/79/936926879.db2.gz UJNSEDZGQSEAAM-KGLIPLIRSA-N 2 0 290.411 1.506 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)Cn2ccnc2C)C1 ZINC001410218374 925414012 /nfs/dbraw/zinc/41/40/12/925414012.db2.gz LERBKXAJBKOPQQ-MGPQQGTHSA-N 2 0 296.390 1.424 10 0 CDAERP F[C@H]1C[C@H]2CN(CCC[NH+]3CCCCC3)CC[N@@H+]2C1 ZINC001198421990 925420092 /nfs/dbraw/zinc/42/00/92/925420092.db2.gz RCDXKUCBIKACES-GJZGRUSLSA-N 2 0 269.408 1.590 10 0 CDAERP CC[NH2+]CCN(CC)C(=O)CC[NH+]1CCCCC1 ZINC001273765752 925421291 /nfs/dbraw/zinc/42/12/91/925421291.db2.gz RLBJQMSVPYWDML-UHFFFAOYSA-N 2 0 255.406 1.320 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CCF)CC[N@@H+]1C ZINC001410390610 925592732 /nfs/dbraw/zinc/59/27/32/925592732.db2.gz WUNLTEJWYAURQW-FRRDWIJNSA-N 2 0 273.396 1.123 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)CCc2c[nH]cn2)C1 ZINC001488830889 926728379 /nfs/dbraw/zinc/72/83/79/926728379.db2.gz HOCNBSQWSRIJSH-YDHLFZDLSA-N 2 0 292.427 1.873 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001488834283 926732006 /nfs/dbraw/zinc/73/20/06/926732006.db2.gz KVABJTKVCIKQGF-TUVASFSCSA-N 2 0 299.434 1.703 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CCCCCF)C1 ZINC001324278330 926816740 /nfs/dbraw/zinc/81/67/40/926816740.db2.gz UOGPSJDNUPQHEH-LSDHHAIUSA-N 2 0 299.434 1.659 10 0 CDAERP CC1CC(C[N@@H+]2CC[C@H](NC(=O)CC[NH+](C)C)[C@H]2C)C1 ZINC001489286780 926855756 /nfs/dbraw/zinc/85/57/56/926855756.db2.gz KCPXOYIQFGUCLI-JYVUQVBGSA-N 2 0 281.444 1.563 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001489319948 926871529 /nfs/dbraw/zinc/87/15/29/926871529.db2.gz KAODPMIDHROWEF-GJZGRUSLSA-N 2 0 281.444 1.804 10 0 CDAERP CC[N@H+](CCF)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001490342807 927102722 /nfs/dbraw/zinc/10/27/22/927102722.db2.gz RMYMEQCWKJEDMU-ZDUSSCGKSA-N 2 0 273.396 1.268 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@H]([NH2+]CCF)C2CC2)CC[N@@H+]1C ZINC001490664766 927289113 /nfs/dbraw/zinc/28/91/13/927289113.db2.gz MKOMVGKIAPFLEO-MELADBBJSA-N 2 0 285.407 1.171 10 0 CDAERP CCC(CC)C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001490739963 927315248 /nfs/dbraw/zinc/31/52/48/927315248.db2.gz NPCLDGBDPBUGCM-CVEARBPZSA-N 2 0 295.471 1.859 10 0 CDAERP CC[NH+]1CCC(C[NH2+]CC2CCS(=O)(=O)CC2)CC1 ZINC000692946107 937236834 /nfs/dbraw/zinc/23/68/34/937236834.db2.gz KAGSBGCOUCNDMS-UHFFFAOYSA-N 2 0 288.457 1.133 10 0 CDAERP CC(C)C[C@H](C)C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001317661039 928675292 /nfs/dbraw/zinc/67/52/92/928675292.db2.gz HGMFTGAOYGCDON-LSDHHAIUSA-N 2 0 283.460 1.668 10 0 CDAERP Cc1nocc1C[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001441644875 930409643 /nfs/dbraw/zinc/40/96/43/930409643.db2.gz AAUKYHGCSOEGQE-LBPRGKRZSA-N 2 0 296.415 1.260 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001275542906 931864455 /nfs/dbraw/zinc/86/44/55/931864455.db2.gz WZSLBXHDLMDKEZ-UONOGXRCSA-N 2 0 279.428 1.531 10 0 CDAERP CCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001276011019 932233228 /nfs/dbraw/zinc/23/32/28/932233228.db2.gz KLXDDWMWAMJSBL-KGLIPLIRSA-N 2 0 269.433 1.707 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N[C@]1(C)C[NH+]2CCC1CC2 ZINC001146874785 932350820 /nfs/dbraw/zinc/35/08/20/932350820.db2.gz VURKTRRAAGQLQW-IUODEOHRSA-N 2 0 267.417 1.175 10 0 CDAERP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1CCc2nnn(C)c2C1 ZINC000925892837 932949726 /nfs/dbraw/zinc/94/97/26/932949726.db2.gz GGXJSGRINRASPG-BJJXKVORSA-N 2 0 299.422 1.221 10 0 CDAERP [NH3+]C[C@H]1CCN(C[C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC001119066623 937693111 /nfs/dbraw/zinc/69/31/11/937693111.db2.gz NSWWEUIGYLTDPT-ZIAGYGMSSA-N 2 0 259.397 1.939 10 0 CDAERP COC(CC[NH+]1CCC(C[NH+]2CCCC2)CC1)OC ZINC000686611103 934180210 /nfs/dbraw/zinc/18/02/10/934180210.db2.gz WVJSYIZZEGJFGU-UHFFFAOYSA-N 2 0 270.417 1.803 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C3CCCC3)[C@@H](C)C2)C1 ZINC001413563290 936185727 /nfs/dbraw/zinc/18/57/27/936185727.db2.gz SKXZQCYWHMUUOT-CABCVRRESA-N 2 0 293.455 1.804 10 0 CDAERP CC(C)C[NH2+]CC[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001568640188 1169411242 /nfs/dbraw/zinc/41/12/42/1169411242.db2.gz ITRKBSGCWPQHDO-ZDUSSCGKSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@@H]1CCC[N@H+](C[C@H](O)C(F)(F)F)[C@@H]1CC[NH3+] ZINC000404275685 940960833 /nfs/dbraw/zinc/96/08/33/940960833.db2.gz AOACKAXVRFBJED-BBBLOLIVSA-N 2 0 254.296 1.359 10 0 CDAERP CC[C@H](C)NC(=O)CC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405330401 940982210 /nfs/dbraw/zinc/98/22/10/940982210.db2.gz ZICPIEAKWBBYNH-SDDRHHMPSA-N 2 0 253.390 1.151 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001362092384 970876302 /nfs/dbraw/zinc/87/63/02/970876302.db2.gz VHCHFKIRNIGOQE-KGLIPLIRSA-N 2 0 285.407 1.411 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH+](C)CC1CC1 ZINC001282411932 942709642 /nfs/dbraw/zinc/70/96/42/942709642.db2.gz LLLISGYNFVVRJU-JSGCOSHPSA-N 2 0 267.417 1.317 10 0 CDAERP CC[NH2+][C@H]1C[C@@H](CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001316622450 942756471 /nfs/dbraw/zinc/75/64/71/942756471.db2.gz AJVSMCSULLRRBK-XDQVBPFNSA-N 2 0 267.417 1.364 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CCC(C)C)C1)[NH+](C)C ZINC001283051756 942812611 /nfs/dbraw/zinc/81/26/11/942812611.db2.gz DFGDXVNOVUUUOV-RBSFLKMASA-N 2 0 283.460 1.857 10 0 CDAERP CCOCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H]1C ZINC001283881041 943019055 /nfs/dbraw/zinc/01/90/55/943019055.db2.gz JZAWBLFMKGLZKB-DZGCQCFKSA-N 2 0 297.443 1.086 10 0 CDAERP C[C@H]1C[C@H]([NH2+]CCCF)CN1C(=O)C1CC[NH+](C)CC1 ZINC001284003973 943046851 /nfs/dbraw/zinc/04/68/51/943046851.db2.gz NGOOIQMQUHLRDQ-JSGCOSHPSA-N 2 0 285.407 1.267 10 0 CDAERP CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001284095729 943076900 /nfs/dbraw/zinc/07/69/00/943076900.db2.gz JCJBRCRHOKFGFS-HZSPNIEDSA-N 2 0 267.417 1.175 10 0 CDAERP CCC[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C(C)(C)C ZINC001284653826 943234632 /nfs/dbraw/zinc/23/46/32/943234632.db2.gz VNTGZCMXXFJMGS-ZDUSSCGKSA-N 2 0 269.433 1.613 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)NCC[NH+]2CC[C@H](C)C2)C1 ZINC001362171529 970975661 /nfs/dbraw/zinc/97/56/61/970975661.db2.gz GNBLHRDOEJBPLL-GJZGRUSLSA-N 2 0 281.444 1.565 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCCC2)C1 ZINC001362195358 971000851 /nfs/dbraw/zinc/00/08/51/971000851.db2.gz XLGJRGRQKUWYFF-CQSZACIVSA-N 2 0 281.444 1.804 10 0 CDAERP CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001277784933 943585630 /nfs/dbraw/zinc/58/56/30/943585630.db2.gz BZFFSGBXBCFNQD-ZIAGYGMSSA-N 2 0 269.433 1.706 10 0 CDAERP CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC000722168133 943962743 /nfs/dbraw/zinc/96/27/43/943962743.db2.gz ZZUIYNWCNAOWSP-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP CC[C@H](F)C[NH2+][C@@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001277922151 944051120 /nfs/dbraw/zinc/05/11/20/944051120.db2.gz LYISLDXOOCXDJL-RYUDHWBXSA-N 2 0 261.385 1.123 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001277924874 944063285 /nfs/dbraw/zinc/06/32/85/944063285.db2.gz QCPHIYGFGLGDAF-ZDUSSCGKSA-N 2 0 267.417 1.319 10 0 CDAERP COCC[NH2+][C@@H]1CCCCCN(C(=O)CCC[NH+](C)C)C1 ZINC001264121882 944081365 /nfs/dbraw/zinc/08/13/65/944081365.db2.gz BEYRWVRHLPIFFD-OAHLLOKOSA-N 2 0 299.459 1.335 10 0 CDAERP CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001264479043 944140750 /nfs/dbraw/zinc/14/07/50/944140750.db2.gz ZFQWNZQTAPDYFZ-XQQFMLRXSA-N 2 0 255.406 1.221 10 0 CDAERP CC(C)c1nccn1CC(=O)N(C)C[C@H](C)[NH2+]CCCF ZINC001277953465 944204382 /nfs/dbraw/zinc/20/43/82/944204382.db2.gz BCWKDBVDSGHNDW-ZDUSSCGKSA-N 2 0 298.406 1.803 10 0 CDAERP CC(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001265975427 944609408 /nfs/dbraw/zinc/60/94/08/944609408.db2.gz ACSJRXNLYHEMDA-OWCLPIDISA-N 2 0 295.471 1.811 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001362381899 971212819 /nfs/dbraw/zinc/21/28/19/971212819.db2.gz CTIIKNRTBVAQAG-GOEBONIOSA-N 2 0 295.471 1.953 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+]CCF)C1 ZINC001479487267 971331830 /nfs/dbraw/zinc/33/18/30/971331830.db2.gz YXDDRITWCUMFHN-QWHCGFSZSA-N 2 0 273.396 1.172 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CC2)C1 ZINC001479486207 971332734 /nfs/dbraw/zinc/33/27/34/971332734.db2.gz CHTUSOKUPFHRRJ-LSDHHAIUSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001479522854 971336012 /nfs/dbraw/zinc/33/60/12/971336012.db2.gz MIAXRZYBWPVSJA-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP CC[N@@H+]1CC[C@](C)(NC(=O)C[C@H](C)n2ccnc2)C1 ZINC001278427254 947918433 /nfs/dbraw/zinc/91/84/33/947918433.db2.gz QGOQZVGRQTZNLN-JSGCOSHPSA-N 2 0 264.373 1.435 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](CC1CC1)C1CC1 ZINC001479870637 971464914 /nfs/dbraw/zinc/46/49/14/971464914.db2.gz KJKRYYXFUZVNJH-INIZCTEOSA-N 2 0 293.455 1.851 10 0 CDAERP COCC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)(C)C ZINC001278961833 948410458 /nfs/dbraw/zinc/41/04/58/948410458.db2.gz GFQNNTSLNAMOBD-MCIONIFRSA-N 2 0 299.459 1.094 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](C(C)C)C1)[NH+](CC)CC ZINC001479963364 971511726 /nfs/dbraw/zinc/51/17/26/971511726.db2.gz BBRZZZVENJRULP-ZIAGYGMSSA-N 2 0 269.433 1.706 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)N2CC(C[NH+](C)C)C2)CC1 ZINC001362697013 971538214 /nfs/dbraw/zinc/53/82/14/971538214.db2.gz PDKSHYULOVSVGM-UHFFFAOYSA-N 2 0 281.444 1.374 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)[C@@H]1C ZINC001278522287 949713356 /nfs/dbraw/zinc/71/33/56/949713356.db2.gz WCNMHEMDNPHXNK-KBPBESRZSA-N 2 0 269.433 1.563 10 0 CDAERP CS[C@H]1CN(C(=O)C2([NH+](C)C)CCCC2)C[C@@H]1[NH+](C)C ZINC001362779836 971613027 /nfs/dbraw/zinc/61/30/27/971613027.db2.gz TXUPFLQJKXDTFE-STQMWFEESA-N 2 0 299.484 1.365 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCCOC)C1 ZINC001480174710 971613964 /nfs/dbraw/zinc/61/39/64/971613964.db2.gz YVFPVVONADVHCM-KKUMJFAQSA-N 2 0 297.443 1.134 10 0 CDAERP CCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001569065946 1169626456 /nfs/dbraw/zinc/62/64/56/1169626456.db2.gz BPOBKGKRHHYUMW-KBPBESRZSA-N 2 0 269.433 1.611 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)[NH2+]C(C)C)C1 ZINC001480520364 971766465 /nfs/dbraw/zinc/76/64/65/971766465.db2.gz BAOUJIGWGWWSOM-KBPBESRZSA-N 2 0 269.433 1.611 10 0 CDAERP CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C(C)(C)C1 ZINC001362974708 971777790 /nfs/dbraw/zinc/77/77/90/971777790.db2.gz WZVLXVHKVXSVMP-ZNMIVQPWSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001480660223 971827546 /nfs/dbraw/zinc/82/75/46/971827546.db2.gz ZMWGEMIKMKNING-HNNXBMFYSA-N 2 0 293.455 1.733 10 0 CDAERP CC[C@@H](C[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1)OC ZINC001480683880 971836696 /nfs/dbraw/zinc/83/66/96/971836696.db2.gz TUDMDRKOUKIFLE-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)[NH2+]C(C)C)CC[N@@H+]1C ZINC001480765948 971870368 /nfs/dbraw/zinc/87/03/68/971870368.db2.gz ZIMCFDDSQMCYLR-MELADBBJSA-N 2 0 269.433 1.610 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001480825884 971896179 /nfs/dbraw/zinc/89/61/79/971896179.db2.gz KSWPVMYKVOQHOC-LSDHHAIUSA-N 2 0 281.444 1.851 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H](C)CC[NH+](C)C ZINC001363675560 953636258 /nfs/dbraw/zinc/63/62/58/953636258.db2.gz FMDAYTOJEWFCNH-KBPBESRZSA-N 2 0 271.449 1.667 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](C[C@H](O)C2CC2)CC1 ZINC001363194288 971962111 /nfs/dbraw/zinc/96/21/11/971962111.db2.gz BEHZJPYQQVBYHB-INMHGKMJSA-N 2 0 295.471 1.248 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001363838890 953893602 /nfs/dbraw/zinc/89/36/02/953893602.db2.gz OBJLOZZLEJQRKB-ARFHVFGLSA-N 2 0 293.455 1.565 10 0 CDAERP C[N@@H+]1C[C@]23C[NH+](C[C@H](O)C4(O)CCC4)C[C@@]2(C1)CCCC3 ZINC001363853230 953919486 /nfs/dbraw/zinc/91/94/86/953919486.db2.gz LZVYTEKJGXGVPE-HRCADAONSA-N 2 0 294.439 1.070 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CCC23CC[NH+](C)CC3)C1 ZINC001363915472 954019683 /nfs/dbraw/zinc/01/96/83/954019683.db2.gz BOHJGALBUAJUIB-OAHLLOKOSA-N 2 0 293.455 1.804 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N2CCC23CC[NH+](C)CC3)C1 ZINC001363915471 954019948 /nfs/dbraw/zinc/01/99/48/954019948.db2.gz BOHJGALBUAJUIB-HNNXBMFYSA-N 2 0 293.455 1.804 10 0 CDAERP c1cc(N2CCC(C[NH+]3CCOCC3)CC2)cc[nH+]1 ZINC000827603739 954048380 /nfs/dbraw/zinc/04/83/80/954048380.db2.gz JQEZBVWBSUCEHR-UHFFFAOYSA-N 2 0 261.369 1.630 10 0 CDAERP CC(C)=CC[NH2+][C@H]1CCN(C(=O)CCc2cncn2C)C1 ZINC001491767505 955412690 /nfs/dbraw/zinc/41/26/90/955412690.db2.gz LNMJDCBHDAWISN-AWEZNQCLSA-N 2 0 290.411 1.509 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H]([N@H+](C)CCCF)C1 ZINC001491946921 955540441 /nfs/dbraw/zinc/54/04/41/955540441.db2.gz LQESVCOSMHUSKQ-ZDUSSCGKSA-N 2 0 273.396 1.221 10 0 CDAERP CC(C)CC[NH2+][C@H](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001492085224 955645344 /nfs/dbraw/zinc/64/53/44/955645344.db2.gz NGPHYFOKDLRZRE-LSDHHAIUSA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)(O)[C@@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001365269638 955798058 /nfs/dbraw/zinc/79/80/58/955798058.db2.gz DQJQBQFHYNBRSU-CVEARBPZSA-N 2 0 298.471 1.706 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC001329518844 955964363 /nfs/dbraw/zinc/96/43/63/955964363.db2.gz CMSAIMMKDLEPAR-CHWSQXEVSA-N 2 0 265.401 1.106 10 0 CDAERP C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@@H]1CC[NH2+]CCF ZINC001316682843 955997852 /nfs/dbraw/zinc/99/78/52/955997852.db2.gz BVJSXFHFTZYRQI-HUUCEWRRSA-N 2 0 299.434 1.659 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CCCC(C)(C)C ZINC001317263446 956000719 /nfs/dbraw/zinc/00/07/19/956000719.db2.gz DLQPRSFHAUDKLO-ZDUSSCGKSA-N 2 0 271.449 1.859 10 0 CDAERP C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CN(C/C=C/Cl)C1 ZINC001422757157 956312313 /nfs/dbraw/zinc/31/23/13/956312313.db2.gz ZPMPJYOFOBLMHN-UXOHQCDBSA-N 2 0 299.846 1.517 10 0 CDAERP CCC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001494080427 972172362 /nfs/dbraw/zinc/17/23/62/972172362.db2.gz VNCXRIZWQXGZLT-KBPBESRZSA-N 2 0 267.417 1.176 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)C1 ZINC001363447658 972175129 /nfs/dbraw/zinc/17/51/29/972175129.db2.gz NFPYNKIGSPRRSG-FXUDXRNXSA-N 2 0 293.455 1.659 10 0 CDAERP Cc1cncn1CC(=O)N[C@@H](C)C[N@@H+](C)CCOC(C)C ZINC001422850945 956405903 /nfs/dbraw/zinc/40/59/03/956405903.db2.gz ZDXZJBBFINMHHH-ZDUSSCGKSA-N 2 0 296.415 1.053 10 0 CDAERP CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC[C@H](C)F)C1)[NH+](C)C ZINC001365856440 956407252 /nfs/dbraw/zinc/40/72/52/956407252.db2.gz WQVXGJCKMGVSPV-XUXIUFHCSA-N 2 0 287.423 1.559 10 0 CDAERP CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@H](C[NH2+]CC1CC1)C1CC1 ZINC001422994156 956497276 /nfs/dbraw/zinc/49/72/76/956497276.db2.gz MVJIWCCTSULYJO-GDBMZVCRSA-N 2 0 293.455 1.565 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001365995445 956498944 /nfs/dbraw/zinc/49/89/44/956498944.db2.gz LKEAYYVCVYRJAF-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C[NH2+]CC2CC2)C2CC2)CC[N@@H+]1C ZINC001423008744 956504646 /nfs/dbraw/zinc/50/46/46/956504646.db2.gz VLDGIMOWLDQMJK-HRCADAONSA-N 2 0 293.455 1.611 10 0 CDAERP CC(C)C[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001423044193 956535165 /nfs/dbraw/zinc/53/51/65/956535165.db2.gz VXRGHOICLGWSCP-CQSZACIVSA-N 2 0 279.428 1.223 10 0 CDAERP CC[C@@]1(C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)CC[NH2+]C1 ZINC001330647507 956540586 /nfs/dbraw/zinc/54/05/86/956540586.db2.gz FIHZMDZBTWYZHO-UKRRQHHQSA-N 2 0 267.417 1.175 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NC[C@H]([NH2+]CC2CCC2)C2CC2)C1 ZINC001366080539 956550496 /nfs/dbraw/zinc/55/04/96/956550496.db2.gz SETAJYQWELWKBT-GJZGRUSLSA-N 2 0 279.428 1.223 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)[NH2+]CCc1ccns1)[NH+](C)C ZINC001366299756 956722862 /nfs/dbraw/zinc/72/28/62/956722862.db2.gz ROSNPSRSWYULAM-DGCLKSJQSA-N 2 0 298.456 1.120 10 0 CDAERP CC(C)[N@@H+]1CC[C@@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001423345937 956732085 /nfs/dbraw/zinc/73/20/85/956732085.db2.gz HIJLTTKXNFZZAC-PBHICJAKSA-N 2 0 293.455 1.850 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C[NH2+]CCF)C1CC1 ZINC001331358277 956990347 /nfs/dbraw/zinc/99/03/47/956990347.db2.gz BIEMEILDBVOGQK-CABCVRRESA-N 2 0 299.434 1.657 10 0 CDAERP CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1CCCC1)C2 ZINC001423962198 957055988 /nfs/dbraw/zinc/05/59/88/957055988.db2.gz NXMOYKSYCPZMCM-MUJYYYPQSA-N 2 0 293.455 1.851 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001366801513 957193046 /nfs/dbraw/zinc/19/30/46/957193046.db2.gz OBVNAUXHBHUBKE-GASCZTMLSA-N 2 0 279.428 1.413 10 0 CDAERP CCCC[N@@H+]1CC[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001366849655 957212337 /nfs/dbraw/zinc/21/23/37/957212337.db2.gz CHOMDFXNCIWVSH-HNNXBMFYSA-N 2 0 281.444 1.711 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC(C)([NH2+]CCF)CC1 ZINC001424478172 957248893 /nfs/dbraw/zinc/24/88/93/957248893.db2.gz XYPLOOMAOHYEIL-CQSZACIVSA-N 2 0 299.434 1.801 10 0 CDAERP COC[C@@H](C)[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001424595363 957282271 /nfs/dbraw/zinc/28/22/71/957282271.db2.gz GURKTGPTCHSOPZ-XGUBFFRZSA-N 2 0 299.459 1.236 10 0 CDAERP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001331912740 957330606 /nfs/dbraw/zinc/33/06/06/957330606.db2.gz ZOYYHBIPETUCAG-QWHCGFSZSA-N 2 0 265.401 1.071 10 0 CDAERP CC(C)=CC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H]1C ZINC001331919239 957334020 /nfs/dbraw/zinc/33/40/20/957334020.db2.gz OXPFQIPGCOVNFF-CABCVRRESA-N 2 0 281.444 1.873 10 0 CDAERP CC(C)CC[NH2+][C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001317270793 957394522 /nfs/dbraw/zinc/39/45/22/957394522.db2.gz WHCHICDCIGJRJL-CYBMUJFWSA-N 2 0 269.433 1.469 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCC1=CCCCC1 ZINC001317288114 957406529 /nfs/dbraw/zinc/40/65/29/957406529.db2.gz FPFZBKCPGXTCCF-HOCLYGCPSA-N 2 0 293.455 1.923 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCC2CC2)C1 ZINC001317312337 957417414 /nfs/dbraw/zinc/41/74/14/957417414.db2.gz GTAFVIATICSUIG-CABCVRRESA-N 2 0 279.428 1.319 10 0 CDAERP COCCC[N@@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001332203025 957476637 /nfs/dbraw/zinc/47/66/37/957476637.db2.gz ZTKWRTFQFBJFSE-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001425187110 957483108 /nfs/dbraw/zinc/48/31/08/957483108.db2.gz FBWQAZLFXIPLMT-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[NH+](CCC2CC2)CC1(C)C ZINC001425311610 957511868 /nfs/dbraw/zinc/51/18/68/957511868.db2.gz CXVFEMDLKQTITH-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCC2CC2)CC1(C)C ZINC001425311613 957511973 /nfs/dbraw/zinc/51/19/73/957511973.db2.gz CXVFEMDLKQTITH-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCC[NH+]2CCCCCF)C1 ZINC001317514635 957524805 /nfs/dbraw/zinc/52/48/05/957524805.db2.gz CMEYQFSCUOSMOF-LSDHHAIUSA-N 2 0 299.434 1.659 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CCC[N@H+]1CCCCCF ZINC001317514350 957524867 /nfs/dbraw/zinc/52/48/67/957524867.db2.gz BSSKAPMSOHWBAK-HNNXBMFYSA-N 2 0 299.434 1.803 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@]12CCC[C@H]1[NH+](CCC)CC2 ZINC001425892606 957636997 /nfs/dbraw/zinc/63/69/97/957636997.db2.gz DMXUHVVYQAJPAN-GDBMZVCRSA-N 2 0 281.444 1.851 10 0 CDAERP CC(C)[N@@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)C[C@@H](C)O ZINC001317697783 957643227 /nfs/dbraw/zinc/64/32/27/957643227.db2.gz DGUDTIDIYSYHLH-CABCVRRESA-N 2 0 299.459 1.068 10 0 CDAERP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCCCF)[NH+](C)C ZINC001494658733 972281161 /nfs/dbraw/zinc/28/11/61/972281161.db2.gz QCQJMVMSCPUHQU-SOUVJXGZSA-N 2 0 299.434 1.752 10 0 CDAERP COCC[NH2+]C1CCN(C(=O)[C@H]([NH3+])C2CCCCC2)CC1 ZINC001332724350 957690092 /nfs/dbraw/zinc/69/00/92/957690092.db2.gz PBMFYQNQYJJSQK-OAHLLOKOSA-N 2 0 297.443 1.121 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CCF)C(C)(C)C ZINC001332769975 957823575 /nfs/dbraw/zinc/82/35/75/957823575.db2.gz BFOXHQCZXQTASI-VXGBXAGGSA-N 2 0 273.396 1.171 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001367200044 957840115 /nfs/dbraw/zinc/84/01/15/957840115.db2.gz IEQGBISLASUSFU-XGUBFFRZSA-N 2 0 299.434 1.703 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001318299598 958021460 /nfs/dbraw/zinc/02/14/60/958021460.db2.gz HWQXKCTWTDHWFM-LSDHHAIUSA-N 2 0 281.444 1.729 10 0 CDAERP COCC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001367540260 958118097 /nfs/dbraw/zinc/11/80/97/958118097.db2.gz FYKLQYKQMUSQBR-HUUCEWRRSA-N 2 0 297.443 1.040 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001494841991 972321094 /nfs/dbraw/zinc/32/10/94/972321094.db2.gz NUPKIRBQAQDPEV-KGLIPLIRSA-N 2 0 299.434 1.609 10 0 CDAERP C[C@@H](CNC(=O)Cc1ncc[nH]1)C[NH2+]CCC1CC1 ZINC001319256552 958459569 /nfs/dbraw/zinc/45/95/69/958459569.db2.gz FFFFBSGZALJSGO-LLVKDONJSA-N 2 0 264.373 1.094 10 0 CDAERP CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1CC ZINC001367928901 958480500 /nfs/dbraw/zinc/48/05/00/958480500.db2.gz ORKHAXLLRICKGT-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP CCC[NH2+]C[C@H](C)N(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001319560577 958632208 /nfs/dbraw/zinc/63/22/08/958632208.db2.gz MHNUAQLTHQIDMD-AWEZNQCLSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)OCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001319697421 958691469 /nfs/dbraw/zinc/69/14/69/958691469.db2.gz UCMRDIKIXHKWRN-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP c1c(C[NH2+]CC2CC2)nnn1C[C@@H]1CCCC[NH2+]C1 ZINC001333938220 958715083 /nfs/dbraw/zinc/71/50/83/958715083.db2.gz IXFIAXPGFWDMEX-CYBMUJFWSA-N 2 0 263.389 1.167 10 0 CDAERP CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001319862393 958758736 /nfs/dbraw/zinc/75/87/36/958758736.db2.gz GCBWVBHAUCZVNA-LSDHHAIUSA-N 2 0 293.455 1.709 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH2+]CC3CCC3)CCC2)C1 ZINC001368482568 958887560 /nfs/dbraw/zinc/88/75/60/958887560.db2.gz CGGIGLGVQQYHHR-HNNXBMFYSA-N 2 0 293.455 1.757 10 0 CDAERP CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC[C@@H](C)F)C1)[NH+](C)C ZINC001368502595 958908787 /nfs/dbraw/zinc/90/87/87/958908787.db2.gz WQVXGJCKMGVSPV-MQYQWHSLSA-N 2 0 287.423 1.559 10 0 CDAERP Cc1nc(C[NH2+][C@@H](C)CCNC(=O)C[NH+]2CCCC2)co1 ZINC001368751044 959103781 /nfs/dbraw/zinc/10/37/81/959103781.db2.gz ZRNCVSDYLFRCHI-LBPRGKRZSA-N 2 0 294.399 1.063 10 0 CDAERP CC[C@H](C(=O)N1CCCC[C@H]1C[N@H+](C)C[C@H](C)O)[NH+](C)C ZINC001368805667 959146308 /nfs/dbraw/zinc/14/63/08/959146308.db2.gz OZKXINHYMGFOID-SOUVJXGZSA-N 2 0 299.459 1.020 10 0 CDAERP CC[C@H](C(=O)N1CCCC[C@H]1C[N@H+](C)C[C@@H](C)O)[NH+](C)C ZINC001368805657 959147025 /nfs/dbraw/zinc/14/70/25/959147025.db2.gz OZKXINHYMGFOID-QLFBSQMISA-N 2 0 299.459 1.020 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001369156191 959488878 /nfs/dbraw/zinc/48/88/78/959488878.db2.gz RWVMXRXIIBGLQF-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP O=C(NC/C=C/C[NH2+]C/C=C/Cl)[C@@H]1C[NH+]2CCC1CC2 ZINC001321063959 959568254 /nfs/dbraw/zinc/56/82/54/959568254.db2.gz JNORKVSDFNUHST-YVKVPFTHSA-N 2 0 297.830 1.343 10 0 CDAERP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001335191105 959625226 /nfs/dbraw/zinc/62/52/26/959625226.db2.gz ZISQQAGMBRUWSA-KFWWJZLASA-N 2 0 264.413 1.877 10 0 CDAERP CC[C@H](F)C[NH2+]C/C=C\CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001321251533 959680188 /nfs/dbraw/zinc/68/01/88/959680188.db2.gz QXIWEQFPNMTOOZ-VSVUCHCSSA-N 2 0 285.407 1.338 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@H](C)C[NH2+]C(C)C ZINC001321533320 959838913 /nfs/dbraw/zinc/83/89/13/959838913.db2.gz VMQAUODORLATRT-NEPJUHHUSA-N 2 0 261.385 1.169 10 0 CDAERP CC/C=C/CC[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001321746687 959930536 /nfs/dbraw/zinc/93/05/36/959930536.db2.gz MZBUYLJTFXQLIY-ISZGNANSSA-N 2 0 267.417 1.533 10 0 CDAERP CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]C(C)C ZINC001569340507 1169773501 /nfs/dbraw/zinc/77/35/01/1169773501.db2.gz NKOCPWRSQZXSPJ-ZIAGYGMSSA-N 2 0 269.433 1.563 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+][C@@H]1CCc2ccccc21 ZINC001371343233 972477584 /nfs/dbraw/zinc/47/75/84/972477584.db2.gz FKQITBOCOZTRGH-CZUORRHYSA-N 2 0 289.423 1.720 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001370458099 960114320 /nfs/dbraw/zinc/11/43/20/960114320.db2.gz NLVYEZLPNXAMHP-ARILJUKYSA-N 2 0 299.434 1.702 10 0 CDAERP CC(C)[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1C ZINC001432588520 960117319 /nfs/dbraw/zinc/11/73/19/960117319.db2.gz VFCCBRWIQGGZMC-CABCVRRESA-N 2 0 293.455 1.565 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC2CC2)C1)[NH+]1CCCC1 ZINC001370563587 960146446 /nfs/dbraw/zinc/14/64/46/960146446.db2.gz JZURRQIFSAOCBH-JYJNAYRXSA-N 2 0 293.455 1.754 10 0 CDAERP C[C@H](F)CC[NH2+]CCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001322589880 960268886 /nfs/dbraw/zinc/26/88/86/960268886.db2.gz BOFZFTSBRUBFQI-AWEZNQCLSA-N 2 0 299.434 1.801 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]CC1=CCCCC1)C1CC1 ZINC001323065079 960427086 /nfs/dbraw/zinc/42/70/86/960427086.db2.gz JPZZBALYCIOTIB-MRXNPFEDSA-N 2 0 293.455 1.923 10 0 CDAERP COCCCC[N@@H+]1CC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001323245112 960581824 /nfs/dbraw/zinc/58/18/24/960581824.db2.gz CEECXHJODXOMLJ-CQSZACIVSA-N 2 0 297.443 1.088 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001324173725 961214145 /nfs/dbraw/zinc/21/41/45/961214145.db2.gz AWWXXHSQIJHEFG-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)Cc1c[nH]cn1 ZINC001324236315 961253165 /nfs/dbraw/zinc/25/31/65/961253165.db2.gz NZMBPTMRGYHTLW-HIFRSBDPSA-N 2 0 292.427 1.969 10 0 CDAERP CN(C(=O)CC[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001419110993 961386059 /nfs/dbraw/zinc/38/60/59/961386059.db2.gz HKBWJWLNKNIPCR-HZPDHXFCSA-N 2 0 293.455 1.804 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]2C[NH+](CCF)CC[C@H]21 ZINC001419448083 961715909 /nfs/dbraw/zinc/71/59/09/961715909.db2.gz MKXOBMFOYATULX-LSDHHAIUSA-N 2 0 299.434 1.611 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001419475430 961748794 /nfs/dbraw/zinc/74/87/94/961748794.db2.gz NODGRMCNADKPMU-RWMBFGLXSA-N 2 0 285.407 1.456 10 0 CDAERP CCC[NH2+][C@H]1C[C@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001436378143 962222615 /nfs/dbraw/zinc/22/26/15/962222615.db2.gz KKRGLXVNGGHURU-KKUMJFAQSA-N 2 0 281.444 1.755 10 0 CDAERP c1cc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc[nH+]1 ZINC001339458555 962371482 /nfs/dbraw/zinc/37/14/82/962371482.db2.gz JUBHNMMXRYWGTF-AWEZNQCLSA-N 2 0 261.369 1.630 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001420018934 962377045 /nfs/dbraw/zinc/37/70/45/962377045.db2.gz SBRKRNFOUXFSSM-GJZGRUSLSA-N 2 0 283.460 1.811 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NC[C@H]([NH2+]C/C=C\Cl)C2CC2)C1 ZINC001436824180 962438265 /nfs/dbraw/zinc/43/82/65/962438265.db2.gz CNVXKNVTAYVHSH-DMZSZWBSSA-N 2 0 285.819 1.175 10 0 CDAERP CC(C)[C@H](C(=O)N(C)CC[N@H+](C)CC1CC1)[NH+]1CCCC1 ZINC001420062688 962438439 /nfs/dbraw/zinc/43/84/39/962438439.db2.gz RAONEZYEGPAYKC-MRXNPFEDSA-N 2 0 295.471 1.907 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001436932334 962505117 /nfs/dbraw/zinc/50/51/17/962505117.db2.gz VGNIDZZPKGHQNE-JHJVBQTASA-N 2 0 271.380 1.067 10 0 CDAERP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1cncs1 ZINC001437144115 962677901 /nfs/dbraw/zinc/67/79/01/962677901.db2.gz INRDPYRUWIQXBA-LLVKDONJSA-N 2 0 296.440 1.222 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001420469415 962945949 /nfs/dbraw/zinc/94/59/49/962945949.db2.gz KCDITKIHKUYBRO-HIFRSBDPSA-N 2 0 299.434 1.799 10 0 CDAERP C[NH+](C)CCCC(=O)NC[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001437721947 963145511 /nfs/dbraw/zinc/14/55/11/963145511.db2.gz LTZDKXSMSZEJGE-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001437942362 963250317 /nfs/dbraw/zinc/25/03/17/963250317.db2.gz KZBWNCGJNWTOMQ-XHSDSOJGSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001420925480 963362003 /nfs/dbraw/zinc/36/20/03/963362003.db2.gz KMASWRGKFNBUIC-HOTGVXAUSA-N 2 0 295.471 1.907 10 0 CDAERP CC[N@H+](C)CCC(=O)NCC1([NH2+]CC2CCCC2)CC1 ZINC001420995668 963409204 /nfs/dbraw/zinc/40/92/04/963409204.db2.gz YVYOHRCEWJVJCG-UHFFFAOYSA-N 2 0 281.444 1.757 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+][C@H](C)COC)CC1 ZINC001421005654 963411444 /nfs/dbraw/zinc/41/14/44/963411444.db2.gz MERMWEYHMTWPAP-ZIAGYGMSSA-N 2 0 297.443 1.134 10 0 CDAERP CC[C@H](C)C[NH+]1CC(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001421135743 963470385 /nfs/dbraw/zinc/47/03/85/963470385.db2.gz IAFRIJVOEFDKSV-ZDUSSCGKSA-N 2 0 281.444 1.565 10 0 CDAERP O=C(NCC1([NH2+]CCF)CCCC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001438594591 963492917 /nfs/dbraw/zinc/49/29/17/963492917.db2.gz IKVIVCUXLRVVNA-CQSZACIVSA-N 2 0 297.418 1.316 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@H](C)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001438668214 963518086 /nfs/dbraw/zinc/51/80/86/963518086.db2.gz XZLIJDOLYQMCMU-ZIAGYGMSSA-N 2 0 299.434 1.799 10 0 CDAERP CCN(CC[NH2+]C(C)C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001439079927 963631207 /nfs/dbraw/zinc/63/12/07/963631207.db2.gz FADYIAWTJATQRZ-OAHLLOKOSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H](C[N@H+](C)Cc1cccnc1)NC(=O)C[NH+]1CCCC1 ZINC001439412906 963757068 /nfs/dbraw/zinc/75/70/68/963757068.db2.gz WGMMCUUSUKWYDH-AWEZNQCLSA-N 2 0 290.411 1.114 10 0 CDAERP CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001439931111 963897812 /nfs/dbraw/zinc/89/78/12/963897812.db2.gz CDMNRUGQDORXIL-WBVHZDCISA-N 2 0 293.455 1.566 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@H]1CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001440257593 963958377 /nfs/dbraw/zinc/95/83/77/963958377.db2.gz WJWJXCIGFWETBX-GJZGRUSLSA-N 2 0 295.471 1.907 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCO[C@@H](C[NH2+]C[C@H](C)CC)C1 ZINC001440375669 964002866 /nfs/dbraw/zinc/00/28/66/964002866.db2.gz QHLYWBQXKYTSKJ-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP Cc1oncc1C[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001440861160 964214167 /nfs/dbraw/zinc/21/41/67/964214167.db2.gz OSZLCJFRSQKILV-RYUDHWBXSA-N 2 0 296.415 1.306 10 0 CDAERP CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001440929340 964268107 /nfs/dbraw/zinc/26/81/07/964268107.db2.gz ADKFUSPXRARAJI-UKRRQHHQSA-N 2 0 281.444 1.850 10 0 CDAERP CCC[N@H+](C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001441030846 964337399 /nfs/dbraw/zinc/33/73/99/964337399.db2.gz GYUXYHXXJLSIPH-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001441108513 964368281 /nfs/dbraw/zinc/36/82/81/964368281.db2.gz YLADKIVUJZNBCW-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP CCCC[NH+]1CC([C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001441180021 964406898 /nfs/dbraw/zinc/40/68/98/964406898.db2.gz AROFWYUQTYLUNH-ZIAGYGMSSA-N 2 0 281.444 1.565 10 0 CDAERP C[NH2+][C@H](C)CCNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC001345810515 964824139 /nfs/dbraw/zinc/82/41/39/964824139.db2.gz RPYLQJAGFGCMRW-AGIUHOORSA-N 2 0 255.406 1.398 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001442603565 965133055 /nfs/dbraw/zinc/13/30/55/965133055.db2.gz NZOWHFXMTVJAOC-CABCVRRESA-N 2 0 299.459 1.049 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)[NH+](C)C)C1 ZINC001442621051 965141629 /nfs/dbraw/zinc/14/16/29/965141629.db2.gz ZIACDYFNDFGKKF-STQMWFEESA-N 2 0 255.406 1.173 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1CC[N@H+](CCF)C1 ZINC001442854264 965248448 /nfs/dbraw/zinc/24/84/48/965248448.db2.gz JHAGZNATFJDGEI-QWHCGFSZSA-N 2 0 291.386 1.074 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CCF)C1 ZINC001443219936 965403012 /nfs/dbraw/zinc/40/30/12/965403012.db2.gz NUVQYSNZXTYXDU-CABCVRRESA-N 2 0 299.434 1.657 10 0 CDAERP CC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001443216755 965405111 /nfs/dbraw/zinc/40/51/11/965405111.db2.gz GQEUURXJQRBXRS-LSDHHAIUSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001444326951 965796640 /nfs/dbraw/zinc/79/66/40/965796640.db2.gz QSZXJWNWCKFXJQ-STQMWFEESA-N 2 0 287.423 1.561 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]CC1CC(C)(C)C1 ZINC001444410438 965823820 /nfs/dbraw/zinc/82/38/20/965823820.db2.gz SKMVMQROSLZIJM-DZGCQCFKSA-N 2 0 295.471 1.716 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccsc1)NC(=O)C[NH+]1CCCC1 ZINC001445650476 966266410 /nfs/dbraw/zinc/26/64/10/966266410.db2.gz WOQDVWIJSZUTJZ-LBPRGKRZSA-N 2 0 281.425 1.438 10 0 CDAERP CC[N@@H+]1CCN(C(=O)C2CC[NH+](CC(C)C)CC2)C[C@H]1C ZINC001446199168 966482760 /nfs/dbraw/zinc/48/27/60/966482760.db2.gz WOOYRALYJNTYSE-OAHLLOKOSA-N 2 0 295.471 1.907 10 0 CDAERP O=C(NCC1([NH2+]CC2CCCC2)CC1)C12CC[NH+](CC1)C2 ZINC001446264448 966503089 /nfs/dbraw/zinc/50/30/89/966503089.db2.gz GALJCMAVQDANPJ-UHFFFAOYSA-N 2 0 291.439 1.511 10 0 CDAERP CN(C(=O)CC[NH+]1CCCCC1)C1C[NH+](CCC2CC2)C1 ZINC001446414296 966537977 /nfs/dbraw/zinc/53/79/77/966537977.db2.gz KNSDMGZXVWDLAD-UHFFFAOYSA-N 2 0 293.455 1.805 10 0 CDAERP CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001446597126 966595595 /nfs/dbraw/zinc/59/55/95/966595595.db2.gz AGUBPZOKPGMIJS-GOEBONIOSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@H]1C[NH+](CC)CCC1(F)F ZINC001446722970 966625085 /nfs/dbraw/zinc/62/50/85/966625085.db2.gz DKOQOHOXBLTYAL-LBPRGKRZSA-N 2 0 291.386 1.422 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)CC1CCCC1 ZINC001447999672 966959650 /nfs/dbraw/zinc/95/96/50/966959650.db2.gz PWJBKFHEYHJVPB-HIFRSBDPSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1ccc(F)cc1 ZINC001448725842 967229848 /nfs/dbraw/zinc/22/98/48/967229848.db2.gz XJBCJRQEUVDLEM-ZDUSSCGKSA-N 2 0 295.402 1.714 10 0 CDAERP CCN1CC[C@@H]1C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC001544080525 967335940 /nfs/dbraw/zinc/33/59/40/967335940.db2.gz SYCNMXPHEDPPCN-HZSPNIEDSA-N 2 0 267.417 1.460 10 0 CDAERP C[N@@H+]1CCC[C@](O)(CC(=O)Nc2ccc3c[nH+]cn3c2)C1 ZINC001456441632 968974038 /nfs/dbraw/zinc/97/40/38/968974038.db2.gz JRTCORWNIKQIEB-HNNXBMFYSA-N 2 0 288.351 1.120 10 0 CDAERP CN(CC(C)(C)C[NH+](C)C)C(=O)C1([NH+](C)C)CCCC1 ZINC001456887771 969072050 /nfs/dbraw/zinc/07/20/50/969072050.db2.gz OQZWQHPXEJXYRG-UHFFFAOYSA-N 2 0 283.460 1.907 10 0 CDAERP C[C@]1(NC(=O)CC[N@@H+]2CC[C@H](F)C2)C[NH+]2CCC1CC2 ZINC001469998489 970283660 /nfs/dbraw/zinc/28/36/60/970283660.db2.gz YAILYFOJHVTUCL-ZFWWWQNUSA-N 2 0 283.391 1.021 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)N2CCC[N@H+](C)CC2)CC1 ZINC001361701237 970437185 /nfs/dbraw/zinc/43/71/85/970437185.db2.gz KKYNAVWOKNWQPJ-UHFFFAOYSA-N 2 0 281.444 1.519 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC001361702222 970438711 /nfs/dbraw/zinc/43/87/11/970438711.db2.gz SALNTEZZLJWWOY-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001371630038 972569295 /nfs/dbraw/zinc/56/92/95/972569295.db2.gz JDSXRWSOFDADLF-LSDHHAIUSA-N 2 0 281.444 1.422 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH2+]CCC(F)(F)F ZINC001495660003 972582797 /nfs/dbraw/zinc/58/27/97/972582797.db2.gz MHGJCESVPLLHGZ-MNOVXSKESA-N 2 0 295.349 1.375 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]C(C)C)C1 ZINC001496144861 972816758 /nfs/dbraw/zinc/81/67/58/972816758.db2.gz JKECHPLSAFQVHP-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP CCCCC[NH2+]C[C@@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001496150831 972820084 /nfs/dbraw/zinc/82/00/84/972820084.db2.gz SLSGVHBEIPZIKL-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP Cc1ncoc1C[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+](C)C(C)C ZINC001496252645 972857877 /nfs/dbraw/zinc/85/78/77/972857877.db2.gz YQTUKCZQRGJJTN-LBPRGKRZSA-N 2 0 296.415 1.260 10 0 CDAERP CC(C)C[NH2+]CC[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001497187897 973236545 /nfs/dbraw/zinc/23/65/45/973236545.db2.gz GARCVBHQNVTTDO-ZFWWWQNUSA-N 2 0 281.444 1.469 10 0 CDAERP C[C@@H](F)CC[NH2+]CC[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001497219370 973249143 /nfs/dbraw/zinc/24/91/43/973249143.db2.gz GJTYFOLSWBVLPN-ZIAGYGMSSA-N 2 0 299.434 1.847 10 0 CDAERP CC[C@@H](F)C[NH2+]CCN(CC)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001497456795 973356122 /nfs/dbraw/zinc/35/61/22/973356122.db2.gz YILQQKWJOWEFCS-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)[NH+](C)CC(=O)N(C)C[C@@H]1CC[N@H+]1CC[C@H](C)F ZINC001417758589 973370424 /nfs/dbraw/zinc/37/04/24/973370424.db2.gz FDTWAXDBQUYHBK-KBPBESRZSA-N 2 0 287.423 1.607 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001417797030 973390752 /nfs/dbraw/zinc/39/07/52/973390752.db2.gz AZOXGGRANNUQIG-MGPQQGTHSA-N 2 0 285.407 1.315 10 0 CDAERP CC(C)CC[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001497750138 973486959 /nfs/dbraw/zinc/48/69/59/973486959.db2.gz PQSRHPJVGBWUJA-NNTXTVRGSA-N 2 0 267.417 1.246 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@H](C[NH2+]CC(C)C)C1)[NH+](C)C ZINC001418132396 973603741 /nfs/dbraw/zinc/60/37/41/973603741.db2.gz HYSGPQIRNZAGBM-HUUCEWRRSA-N 2 0 283.460 1.811 10 0 CDAERP CO[C@@H](C)C[N@@H+]1CCC[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001418140044 973606003 /nfs/dbraw/zinc/60/60/03/973606003.db2.gz TUCAVBRGLYSHKC-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(F)cc1 ZINC001418416126 973807948 /nfs/dbraw/zinc/80/79/48/973807948.db2.gz ABJOWVREMYPUOP-CYBMUJFWSA-N 2 0 295.402 1.762 10 0 CDAERP CC(C)CC[N@H+](C)CCNC(=O)[C@H]1CCc2cncn2C1 ZINC001418473367 973877870 /nfs/dbraw/zinc/87/78/70/973877870.db2.gz VZKVEKIFQNEYSB-AWEZNQCLSA-N 2 0 292.427 1.540 10 0 CDAERP CC[C@@H](F)C[N@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C(C)C ZINC001498457461 973928058 /nfs/dbraw/zinc/92/80/58/973928058.db2.gz RPNHSMBWIWIVMH-CHWSQXEVSA-N 2 0 275.412 1.511 10 0 CDAERP CC[N@H+](CCNC(=O)CC[NH+](C)C)Cc1ccc(F)cc1 ZINC001418563742 973972088 /nfs/dbraw/zinc/97/20/88/973972088.db2.gz AQDXBFYVVPCTAM-UHFFFAOYSA-N 2 0 295.402 1.716 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)C(C)C ZINC001418569882 973975286 /nfs/dbraw/zinc/97/52/86/973975286.db2.gz MWHOZVBIXFRHOM-GJZGRUSLSA-N 2 0 281.444 1.850 10 0 CDAERP Cc1cc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)sn1 ZINC001374873722 974161564 /nfs/dbraw/zinc/16/15/64/974161564.db2.gz RZTKBERHTXVGPW-WCQYABFASA-N 2 0 296.440 1.140 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccccn1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001374961496 974191268 /nfs/dbraw/zinc/19/12/68/974191268.db2.gz JWWGRYBBZSUBLK-UONOGXRCSA-N 2 0 290.411 1.018 10 0 CDAERP C[C@H](F)CC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001375412490 974371597 /nfs/dbraw/zinc/37/15/97/974371597.db2.gz SAIQMFUNVLKABW-HZSPNIEDSA-N 2 0 297.418 1.267 10 0 CDAERP CC(C)[NH2+]C[C@@]1(C)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001500394016 974431017 /nfs/dbraw/zinc/43/10/17/974431017.db2.gz ROXPDYXBJMAKSR-OAHLLOKOSA-N 2 0 279.428 1.319 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N1CCCCC[C@H]([NH2+]C[C@@H](C)O)C1 ZINC001375651593 974445102 /nfs/dbraw/zinc/44/51/02/974445102.db2.gz PDOLKZHPHBYVGL-CABCVRRESA-N 2 0 299.459 1.068 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H]1C ZINC001375661489 974448040 /nfs/dbraw/zinc/44/80/40/974448040.db2.gz SEOUFVPYXKPWOR-QLFBSQMISA-N 2 0 283.460 1.808 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N(C)C1CN(CC(C)C)C1 ZINC001375675441 974452573 /nfs/dbraw/zinc/45/25/73/974452573.db2.gz HHBRKVHQCICGGS-CQSZACIVSA-N 2 0 287.423 1.465 10 0 CDAERP Cc1cc(CN2CCC[C@H](NC(=O)CC[NH+](C)C)C2)on1 ZINC001376071564 974553454 /nfs/dbraw/zinc/55/34/54/974553454.db2.gz OJNQQDYUEKXYCR-ZDUSSCGKSA-N 2 0 294.399 1.015 10 0 CDAERP CCCC[N@@H+]1CCC[C@@](CO)(NC(=O)CC[NH+](C)CC)C1 ZINC001376501387 974676987 /nfs/dbraw/zinc/67/69/87/974676987.db2.gz QTPGJKYPNOKTNQ-MRXNPFEDSA-N 2 0 299.459 1.071 10 0 CDAERP CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]CCF)[NH+]1CCCCC1 ZINC001376883671 974802560 /nfs/dbraw/zinc/80/25/60/974802560.db2.gz RWXTZFDUZZIRTH-KGLIPLIRSA-N 2 0 287.423 1.561 10 0 CDAERP C[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)[NH2+]CCCF ZINC001503263466 974817342 /nfs/dbraw/zinc/81/73/42/974817342.db2.gz WSHCXRYZUDNYAE-QJPTWQEYSA-N 2 0 282.363 1.357 10 0 CDAERP CC(C)[NH2+][C@@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001505686988 974962167 /nfs/dbraw/zinc/96/21/67/974962167.db2.gz XMVOHIKDEWTKBJ-NWDGAFQWSA-N 2 0 255.406 1.219 10 0 CDAERP CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001506853819 975236269 /nfs/dbraw/zinc/23/62/69/975236269.db2.gz KMTUTGFWEAQNOE-RRFJBIMHSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001506886937 975246253 /nfs/dbraw/zinc/24/62/53/975246253.db2.gz WLPIHIJVVVTYGP-HDJSIYSDSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)[C@@H](CCNC(=O)C12CCC[NH+]1CCC2)[NH2+]CCF ZINC001506988969 975285721 /nfs/dbraw/zinc/28/57/21/975285721.db2.gz YZVHSXGGEARVQR-CQSZACIVSA-N 2 0 299.434 1.705 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccns1 ZINC001378251997 975309184 /nfs/dbraw/zinc/30/91/84/975309184.db2.gz PQVAXAMXLYCSIY-YPMHNXCESA-N 2 0 296.440 1.222 10 0 CDAERP CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001507095020 975333557 /nfs/dbraw/zinc/33/35/57/975333557.db2.gz ITXWXGMAVYJWPW-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]C/C=C\Cl ZINC001378344422 975334895 /nfs/dbraw/zinc/33/48/95/975334895.db2.gz SYYZPDUZTKWDAT-ZHRWSRJISA-N 2 0 275.824 1.564 10 0 CDAERP CCCN(C(=O)C[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CC)C1 ZINC001404452662 975396946 /nfs/dbraw/zinc/39/69/46/975396946.db2.gz XQDMLHPUSRGOGZ-HUUCEWRRSA-N 2 0 281.444 1.661 10 0 CDAERP CCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001507327898 975417533 /nfs/dbraw/zinc/41/75/33/975417533.db2.gz LONPNTDLSVQESN-ZIAGYGMSSA-N 2 0 279.428 1.461 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1C/C=C\Cl ZINC001397195497 975495455 /nfs/dbraw/zinc/49/54/55/975495455.db2.gz LTQCSVBESMVYAW-SDIVBXRLSA-N 2 0 287.835 1.660 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccccc1F)N(C)C(=O)CC[NH+](C)C ZINC001378806630 975497955 /nfs/dbraw/zinc/49/79/55/975497955.db2.gz FKUKOHTVNJRVBX-ZDUSSCGKSA-N 2 0 295.402 1.714 10 0 CDAERP CC(C)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001401302373 975571201 /nfs/dbraw/zinc/57/12/01/975571201.db2.gz SAOQVHGZEQLPCU-LSDHHAIUSA-N 2 0 283.460 1.809 10 0 CDAERP CC[N@H+](C)CCC1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001401308652 975573818 /nfs/dbraw/zinc/57/38/18/975573818.db2.gz GKXMQQGENVCAPE-INIZCTEOSA-N 2 0 295.471 1.909 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)CC[N@H+](C)CC[C@H](C)F)[NH+](C)C ZINC001379115007 975672402 /nfs/dbraw/zinc/67/24/02/975672402.db2.gz BVRIMVWIVFIWSO-KBPBESRZSA-N 2 0 289.439 1.711 10 0 CDAERP CC(C)C[NH2+][C@H](C)CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001379139911 975685389 /nfs/dbraw/zinc/68/53/89/975685389.db2.gz XPUSHOLAYYDQGG-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)CC[NH2+][C@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001379279725 975741657 /nfs/dbraw/zinc/74/16/57/975741657.db2.gz SQELVBHGJBRLDB-CQSZACIVSA-N 2 0 281.444 1.565 10 0 CDAERP CN(C(=O)CC[NH+](C)C)C1CC[NH+](C/C=C\Cl)CC1 ZINC001389326352 975769626 /nfs/dbraw/zinc/76/96/26/975769626.db2.gz JAMCLQYHQNNLOI-YWEYNIOJSA-N 2 0 287.835 1.613 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]CCF ZINC001389326134 975770952 /nfs/dbraw/zinc/77/09/52/975770952.db2.gz RTDIQQZFNVBPPJ-KBPBESRZSA-N 2 0 287.423 1.655 10 0 CDAERP CCC(CC)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001379354761 975792572 /nfs/dbraw/zinc/79/25/72/975792572.db2.gz AFHUFZIKXDQDPW-UMVBOHGHSA-N 2 0 283.460 1.857 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001401698389 975807162 /nfs/dbraw/zinc/80/71/62/975807162.db2.gz CPEVLSFGLXJITD-STQMWFEESA-N 2 0 287.423 1.703 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001379416310 975825283 /nfs/dbraw/zinc/82/52/83/975825283.db2.gz KIKVJRGYDDXJSM-OLZOCXBDSA-N 2 0 289.439 1.807 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](C(C)C)C1)[NH+]1CCCC1 ZINC001389515330 975882246 /nfs/dbraw/zinc/88/22/46/975882246.db2.gz ZUCGBNDNUBTKLQ-GJZGRUSLSA-N 2 0 281.444 1.706 10 0 CDAERP CCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001401775931 975897275 /nfs/dbraw/zinc/89/72/75/975897275.db2.gz AVVVXQKVSWUGBT-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]([NH2+]Cc1ccsc1)C1CC1 ZINC001389629435 975937602 /nfs/dbraw/zinc/93/76/02/975937602.db2.gz CWMMGBKDWCWABA-AWEZNQCLSA-N 2 0 295.452 1.684 10 0 CDAERP CC(C)C[C@@H](C[NH2+]C(C)C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001405937739 975942379 /nfs/dbraw/zinc/94/23/79/975942379.db2.gz RUWOPZWPRQORGR-GJZGRUSLSA-N 2 0 283.460 1.857 10 0 CDAERP C[N@H+](CCCF)C[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001398462047 975995761 /nfs/dbraw/zinc/99/57/61/975995761.db2.gz JBMZRZGOGPNLCP-HUUCEWRRSA-N 2 0 299.434 1.468 10 0 CDAERP CC(C)C[NH2+]C[C@]1(C)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001402175195 976162633 /nfs/dbraw/zinc/16/26/33/976162633.db2.gz QVIMQKODUSFWFT-INIZCTEOSA-N 2 0 293.455 1.566 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCCF)C1)[NH+](CC)CC ZINC001402187869 976168171 /nfs/dbraw/zinc/16/81/71/976168171.db2.gz SAPTXXKLNKWLHD-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CCC[N@H+](C)CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C(C)C ZINC001379999956 976175695 /nfs/dbraw/zinc/17/56/95/976175695.db2.gz DHFOVIUQMJURCQ-HUUCEWRRSA-N 2 0 283.460 1.905 10 0 CDAERP CC(C)[C@@H](C(=O)NCC1([NH2+]CC[C@@H](C)F)CC1)[NH+](C)C ZINC001380102035 976245307 /nfs/dbraw/zinc/24/53/07/976245307.db2.gz WFZLSWZZKWJGOZ-OLZOCXBDSA-N 2 0 287.423 1.559 10 0 CDAERP CO[C@H](C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001380179555 976281007 /nfs/dbraw/zinc/28/10/07/976281007.db2.gz GMSQQUCZGRTVDD-KFWWJZLASA-N 2 0 297.443 1.038 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CCc1ccccc1 ZINC001390479172 976321147 /nfs/dbraw/zinc/32/11/47/976321147.db2.gz ZTRWOKKGNLGZCS-AWEZNQCLSA-N 2 0 277.412 1.275 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1 ZINC001380294718 976334069 /nfs/dbraw/zinc/33/40/69/976334069.db2.gz WXTWVMZZLUWRIV-MRXNPFEDSA-N 2 0 289.423 1.719 10 0 CDAERP CC[C@@H](C(=O)N1CC[C@H](C[NH2+]CC2CC2)C1)[NH+](CC)CC ZINC001399250119 976395878 /nfs/dbraw/zinc/39/58/78/976395878.db2.gz YDTIVZCUBFTEKY-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP O=C(N[C@H]1C[C@@H]([NH2+]C/C=C/Cl)C1)C12CC[NH+](CC1)C2 ZINC001402624530 976404619 /nfs/dbraw/zinc/40/46/19/976404619.db2.gz CRXZAOFCXHJNJP-CDKDAEDYSA-N 2 0 283.803 1.072 10 0 CDAERP C[C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cccnc1 ZINC001390648862 976416441 /nfs/dbraw/zinc/41/64/41/976416441.db2.gz SUFDGWGLPGWZAN-HIFRSBDPSA-N 2 0 290.411 1.160 10 0 CDAERP CCC[N@H+](C)CCCN(C)C(=O)Cc1cnccc1OC ZINC001402642460 976418932 /nfs/dbraw/zinc/41/89/32/976418932.db2.gz ITUNSOBMFBJFAT-UHFFFAOYSA-N 2 0 293.411 1.823 10 0 CDAERP CC(C)C[NH+]1CCC(C)(CNC(=O)CC[NH+](C)C)CC1 ZINC001380448756 976422260 /nfs/dbraw/zinc/42/22/60/976422260.db2.gz KLCLZVNGBAOHPF-UHFFFAOYSA-N 2 0 283.460 1.812 10 0 CDAERP CC[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1cncs1)[NH+](C)C ZINC001390670541 976428785 /nfs/dbraw/zinc/42/87/85/976428785.db2.gz HJBJFBYNGNQEQF-DGCLKSJQSA-N 2 0 298.456 1.468 10 0 CDAERP CC[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1coc(C)n1)[NH+](C)C ZINC001402851951 976533844 /nfs/dbraw/zinc/53/38/44/976533844.db2.gz ZAQZSRVJFOPYAU-SMDDNHRTSA-N 2 0 296.415 1.308 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CC1CCCC1 ZINC001402880419 976562328 /nfs/dbraw/zinc/56/23/28/976562328.db2.gz JEEJVBCKSZWPSP-XJKSGUPXSA-N 2 0 293.455 1.613 10 0 CDAERP CC[C@H](C(=O)NCC1([NH2+]CC(C)C)CCOCC1)[NH+](C)C ZINC001407306678 976633574 /nfs/dbraw/zinc/63/35/74/976633574.db2.gz SPSMQFYTBGYHMA-CQSZACIVSA-N 2 0 299.459 1.238 10 0 CDAERP CCCC[N@H+](CC)CCNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001390996875 976639864 /nfs/dbraw/zinc/63/98/64/976639864.db2.gz DTCIWONIDZVFDY-INIZCTEOSA-N 2 0 281.444 1.711 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]C/C=C\Cl ZINC001402997841 976652041 /nfs/dbraw/zinc/65/20/41/976652041.db2.gz FIGSTQLFUREBCB-QHDQMSKJSA-N 2 0 275.824 1.564 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+](CC)C[C@@H](C)OC)CC[N@@H+]1C ZINC001399712176 976656852 /nfs/dbraw/zinc/65/68/52/976656852.db2.gz MHRLCNLANDZPHV-QLFBSQMISA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)CC[NH2+][C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001381101202 976672362 /nfs/dbraw/zinc/67/23/62/976672362.db2.gz INAFQMKKWHFCAG-CABCVRRESA-N 2 0 295.471 1.811 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001391095446 976686526 /nfs/dbraw/zinc/68/65/26/976686526.db2.gz TVJJRNZOFGMCEM-OAHLLOKOSA-N 2 0 283.460 1.812 10 0 CDAERP CCC[N@H+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)C1CC1 ZINC001391183385 976750464 /nfs/dbraw/zinc/75/04/64/976750464.db2.gz KXRUACAAXFOLBD-HOTGVXAUSA-N 2 0 293.455 1.994 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001391303235 976804471 /nfs/dbraw/zinc/80/44/71/976804471.db2.gz WCHOLCNAORFVGD-BFHYXJOUSA-N 2 0 290.411 1.750 10 0 CDAERP CC(C)CC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001408085931 976908153 /nfs/dbraw/zinc/90/81/53/976908153.db2.gz GIGVPXZCGYHGDT-GOEBONIOSA-N 2 0 295.471 1.811 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001400176948 976911815 /nfs/dbraw/zinc/91/18/15/976911815.db2.gz QBQIPBBRAJFPER-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001381963454 977101933 /nfs/dbraw/zinc/10/19/33/977101933.db2.gz ZCNYHTPQOWERPH-AVGNSLFASA-N 2 0 273.396 1.171 10 0 CDAERP CC[NH2+]C[C@]1(NC(=O)C23CC[NH+](CC2)C3)CCCC[C@@H]1C ZINC001391804227 977102023 /nfs/dbraw/zinc/10/20/23/977102023.db2.gz FZEAEXDLQUTGNX-WMLDXEAASA-N 2 0 293.455 1.757 10 0 CDAERP CCN(C(=O)C[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001400756659 977173111 /nfs/dbraw/zinc/17/31/11/977173111.db2.gz BVQRATHKEAEMPC-HUUCEWRRSA-N 2 0 281.444 1.659 10 0 CDAERP CCC(CC)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001382161224 977195449 /nfs/dbraw/zinc/19/54/49/977195449.db2.gz KSWJSAPKOMMQCR-DZGCQCFKSA-N 2 0 283.460 1.811 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)C1C[NH+](CCC(C)(C)C)C1 ZINC001393015678 977676430 /nfs/dbraw/zinc/67/64/30/977676430.db2.gz AQLQQMRFWGFION-UHFFFAOYSA-N 2 0 283.460 1.907 10 0 CDAERP CC(C)CC[NH2+][C@H](C)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001393925775 977968385 /nfs/dbraw/zinc/96/83/85/977968385.db2.gz GRKKWUGUGNFQOD-KGLIPLIRSA-N 2 0 283.460 2.000 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CC1CCOCC1 ZINC001394007449 978003119 /nfs/dbraw/zinc/00/31/19/978003119.db2.gz SUOVETMVKFCIOC-ZIAGYGMSSA-N 2 0 299.459 1.236 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[NH+](CC2CCC2)CC1(C)C ZINC001394295836 978129220 /nfs/dbraw/zinc/12/92/20/978129220.db2.gz AOLLRUKWCVKPMS-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP CC1(C)CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]C/C=C/Cl ZINC001394713074 978237556 /nfs/dbraw/zinc/23/75/56/978237556.db2.gz JGYOMBSYYFFYPE-GFUIURDCSA-N 2 0 299.846 1.661 10 0 CDAERP O=C(CCC[NH+]1CCCC1)N1CCCC[C@H]1C[NH2+]CCF ZINC001674411225 1173940015 /nfs/dbraw/zinc/94/00/15/1173940015.db2.gz REEDTVBKZFABIK-HNNXBMFYSA-N 2 0 299.434 1.803 10 0 CDAERP C[NH+](C)CCC(=O)NC1CC(C[NH2+]CCC(C)(C)C)C1 ZINC001674578312 1173964572 /nfs/dbraw/zinc/96/45/72/1173964572.db2.gz BTAQBEPKPIKFQA-UHFFFAOYSA-N 2 0 283.460 1.859 10 0 CDAERP CN(CC(C)(C)C[NH2+]CCF)C(=O)C12CC[NH+](CC1)C2 ZINC001570687800 1170230019 /nfs/dbraw/zinc/23/00/19/1170230019.db2.gz JCURWUQZZUTBQP-UHFFFAOYSA-N 2 0 285.407 1.126 10 0 CDAERP CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001571390145 1170406159 /nfs/dbraw/zinc/40/61/59/1170406159.db2.gz ZYRPACAXGZAMPL-KBPBESRZSA-N 2 0 269.433 1.707 10 0 CDAERP COCCCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H]1C ZINC001571468262 1170440388 /nfs/dbraw/zinc/44/03/88/1170440388.db2.gz ZZASGFXEABDJMX-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)=CC[N@H+]1CC=C(CNC(=O)CC[NH+](C)C)CC1 ZINC001571693851 1170527947 /nfs/dbraw/zinc/52/79/47/1170527947.db2.gz OBCVFJHNJVQLAX-UHFFFAOYSA-N 2 0 279.428 1.653 10 0 CDAERP CO[C@H](C[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1)C1CCC1 ZINC001656310972 1171809021 /nfs/dbraw/zinc/80/90/21/1171809021.db2.gz FRBVHVJKYMRQQE-KFWWJZLASA-N 2 0 252.402 1.685 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)NCCC[NH+]2CCCCC2)C1 ZINC000618547293 349478662 /nfs/dbraw/zinc/47/86/62/349478662.db2.gz AKONTXMKCSXASV-AWEZNQCLSA-N 2 0 282.432 1.256 10 0 CDAERP C[C@@H](CNC(=O)N[C@H]1CCC[N@H+](C)C1)C[NH+]1CCCC1 ZINC000618556680 349483364 /nfs/dbraw/zinc/48/33/64/349483364.db2.gz HWOKYHRGUVEYEM-KBPBESRZSA-N 2 0 282.432 1.112 10 0 CDAERP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)C[C@H]1COCCN1 ZINC000650739846 398171279 /nfs/dbraw/zinc/17/12/79/398171279.db2.gz AMMXDNZDFRYJNH-GJZGRUSLSA-N 2 0 271.449 1.321 10 0 CDAERP CC[C@H](Cn1cncn1)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650754791 398178637 /nfs/dbraw/zinc/17/86/37/398178637.db2.gz QVYUKAGAVSOQPZ-CYBMUJFWSA-N 2 0 277.347 1.444 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)CC[N@@H+]1C ZINC000601380356 342558481 /nfs/dbraw/zinc/55/84/81/342558481.db2.gz UISKTRQUNBHLKD-REWJHTLYSA-N 2 0 299.484 1.221 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000232662642 342031740 /nfs/dbraw/zinc/03/17/40/342031740.db2.gz GIJHWAFBCLRCAS-KGLIPLIRSA-N 2 0 281.444 1.611 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCN1CC[NH+](C2CC2)CC1 ZINC000351611345 361801951 /nfs/dbraw/zinc/80/19/51/361801951.db2.gz ZRLAMZFYUZJABZ-CQSZACIVSA-N 2 0 251.418 1.641 10 0 CDAERP C[NH+]1CCC(CCNC(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000590859924 342601990 /nfs/dbraw/zinc/60/19/90/342601990.db2.gz VYEALAFRLXCAGA-AWEZNQCLSA-N 2 0 282.432 1.112 10 0 CDAERP CC(C)(C)OC(=O)N1CC(NCC[NH+]2CCCC2)C1 ZINC000071335363 342146809 /nfs/dbraw/zinc/14/68/09/342146809.db2.gz DFSQZRGYXYNYIA-UHFFFAOYSA-N 2 0 269.389 1.291 10 0 CDAERP COC(=O)C(C)(C)[C@@H]1CCC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000592429270 342694970 /nfs/dbraw/zinc/69/49/70/342694970.db2.gz DFWWBVLOLJCXFS-CZUORRHYSA-N 2 0 282.428 1.897 10 0 CDAERP C[C@@H]1C[C@H]1C[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000625463576 342171262 /nfs/dbraw/zinc/17/12/62/342171262.db2.gz MGBURORMVQMLGV-OCCSQVGLSA-N 2 0 252.402 1.469 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000629405632 361942614 /nfs/dbraw/zinc/94/26/14/361942614.db2.gz KTJAFJKESTVKEO-WMLDXEAASA-N 2 0 273.424 1.991 10 0 CDAERP CCOC(=O)C1CCC([NH2+]CC2([NH3+])CCOCC2)CC1 ZINC000600677505 342242008 /nfs/dbraw/zinc/24/20/08/342242008.db2.gz FQKFAPODBWQNOP-UHFFFAOYSA-N 2 0 284.400 1.206 10 0 CDAERP CCOC(=O)C1CCC([NH2+]CCOCCC[NH3+])CC1 ZINC000600680632 342242238 /nfs/dbraw/zinc/24/22/38/342242238.db2.gz VLRBWLCASMJTSJ-UHFFFAOYSA-N 2 0 272.389 1.063 10 0 CDAERP C[C@H]([NH2+][C@@H]1CCCCC[C@H]1O)C1CC[NH+](C)CC1 ZINC000252850084 539079977 /nfs/dbraw/zinc/07/99/77/539079977.db2.gz FEBQEFMLRRKDDU-NWANDNLSSA-N 2 0 254.418 2.000 10 0 CDAERP CC(C)[C@@H]1CC[C@H]1[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000353511485 539098246 /nfs/dbraw/zinc/09/82/46/539098246.db2.gz BNSPNTKWASWNBF-QLFBSQMISA-N 2 0 281.444 1.598 10 0 CDAERP C[NH+](C)C1(CNC(=O)[C@H]2CCC[C@@H]2[NH3+])CCCC1 ZINC000125648167 187194583 /nfs/dbraw/zinc/19/45/83/187194583.db2.gz RZVIURZGWIIONI-RYUDHWBXSA-N 2 0 253.390 1.104 10 0 CDAERP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H]1COCCO1 ZINC000626063623 342297622 /nfs/dbraw/zinc/29/76/22/342297622.db2.gz KQVPKTTZXKVLCU-KRWDZBQOSA-N 2 0 292.423 1.986 10 0 CDAERP C[NH2+]CCCNC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000417537560 290652805 /nfs/dbraw/zinc/65/28/05/290652805.db2.gz SSIOLXFPANSORJ-CHWSQXEVSA-N 2 0 270.421 1.158 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000594918392 342985952 /nfs/dbraw/zinc/98/59/52/342985952.db2.gz QXODPPVOHPFGGM-NILFDRSVSA-N 2 0 280.412 1.791 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000594925344 342989097 /nfs/dbraw/zinc/98/90/97/342989097.db2.gz RUXYETFVVKQNCU-UMSGYPCISA-N 2 0 254.374 1.115 10 0 CDAERP C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000405049858 349779034 /nfs/dbraw/zinc/77/90/34/349779034.db2.gz UXUXUURUMWQSAS-IHRRRGAJSA-N 2 0 267.417 1.447 10 0 CDAERP Cc1ccccc1C[N@@H+]1C[C@@H](CO)C2(C1)CC[NH2+]CC2 ZINC000169782183 362120398 /nfs/dbraw/zinc/12/03/98/362120398.db2.gz DSAUSKAJYBMRRI-INIZCTEOSA-N 2 0 274.408 1.789 10 0 CDAERP CN(C[C@@H](O)C[N@@H+]1CCCC2(CC2)CC1)C1CC1 ZINC000626114949 342357226 /nfs/dbraw/zinc/35/72/26/342357226.db2.gz ACIIRPQNTPIXCT-CQSZACIVSA-N 2 0 252.402 1.708 10 0 CDAERP Cc1cccc2c1C[C@H]([NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+])CO2 ZINC000629514160 362128071 /nfs/dbraw/zinc/12/80/71/362128071.db2.gz JTEBPQZMUILZFF-OCVGTWLNSA-N 2 0 290.407 1.640 10 0 CDAERP [NH3+]C1(CC(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)CCC1 ZINC000645103700 362117859 /nfs/dbraw/zinc/11/78/59/362117859.db2.gz AABAGXUTZXXPII-OLZOCXBDSA-N 2 0 265.401 1.249 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000629529164 362154708 /nfs/dbraw/zinc/15/47/08/362154708.db2.gz TZKFWSVBAXBPRX-CQSZACIVSA-N 2 0 288.395 1.759 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H]1CCCc2cc(OC)ccc21 ZINC000629529137 362155108 /nfs/dbraw/zinc/15/51/08/362155108.db2.gz SJWDGYSAOOMWQP-INIZCTEOSA-N 2 0 278.396 1.898 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000629530789 362159925 /nfs/dbraw/zinc/15/99/25/362159925.db2.gz RFOLZORDACXSHQ-JTQLQIEISA-N 2 0 257.765 1.622 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000629530961 362160656 /nfs/dbraw/zinc/16/06/56/362160656.db2.gz WBNMDLCVVIIVFW-CQSZACIVSA-N 2 0 264.369 1.595 10 0 CDAERP C[NH+](C)CCNc1cc[nH+]c2cc3c(cc12)OCO3 ZINC000034565319 342445987 /nfs/dbraw/zinc/44/59/87/342445987.db2.gz UIMOQXBIAZVEHR-UHFFFAOYSA-N 2 0 259.309 1.937 10 0 CDAERP CN(C(=O)CC[C@@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH2+]C1 ZINC000572958927 362250897 /nfs/dbraw/zinc/25/08/97/362250897.db2.gz RPBCWQSZTNERRB-QWHCGFSZSA-N 2 0 253.390 1.071 10 0 CDAERP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@@H](O)CC3CCCC3)C2)C1 ZINC000336813192 362295612 /nfs/dbraw/zinc/29/56/12/362295612.db2.gz BVNPOTFVUKOOHR-JKSUJKDBSA-N 2 0 266.429 1.955 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000257732478 344382645 /nfs/dbraw/zinc/38/26/45/344382645.db2.gz VFURBSHQORDKLL-ZIAGYGMSSA-N 2 0 267.417 1.367 10 0 CDAERP CC(C)C[C@@H](CNC(=O)CC1([NH3+])CCCC1)[NH+](C)C ZINC000084184300 178818916 /nfs/dbraw/zinc/81/89/16/178818916.db2.gz AGVKFVLVLUDCQG-ZDUSSCGKSA-N 2 0 269.433 1.741 10 0 CDAERP CC1([NH3+])CCN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000669514441 482534250 /nfs/dbraw/zinc/53/42/50/482534250.db2.gz CLMCUQWXBYPVTO-NSHDSACASA-N 2 0 253.390 1.104 10 0 CDAERP C[C@H](O)C[N@@H+]1CCN(CCC[NH+]2CCCCC2)C[C@@H]1C ZINC000249460163 290112724 /nfs/dbraw/zinc/11/27/24/290112724.db2.gz QNHAATQFHGABLE-HOTGVXAUSA-N 2 0 283.460 1.249 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2Cc3ccccc3N(C)C(=O)C2)CC[NH2+]1 ZINC000623238802 345739783 /nfs/dbraw/zinc/73/97/83/345739783.db2.gz TYBRPEAHARQCIH-ZIAGYGMSSA-N 2 0 287.407 1.853 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000079521437 362660838 /nfs/dbraw/zinc/66/08/38/362660838.db2.gz UGQWNFJDDFEKTC-OCCSQVGLSA-N 2 0 253.390 1.071 10 0 CDAERP C[C@@]1(C(=O)N2CCC(C[NH+]3CCCC3)CC2)CCC[NH2+]1 ZINC000079518410 362661361 /nfs/dbraw/zinc/66/13/61/362661361.db2.gz MUAJQJQANBETAX-INIZCTEOSA-N 2 0 279.428 1.463 10 0 CDAERP Fc1ccc(-n2ccc(CN3C[C@H]4C[NH2+]C[C@@H]4C3)n2)cc1 ZINC000608492963 345775312 /nfs/dbraw/zinc/77/53/12/345775312.db2.gz PKPIOZSJTFROCK-CHWSQXEVSA-N 2 0 286.354 1.663 10 0 CDAERP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623353276 346080598 /nfs/dbraw/zinc/08/05/98/346080598.db2.gz GVCPCUWEKBTHQM-HNNXBMFYSA-N 3 0 296.503 1.475 10 0 CDAERP C[NH+](C)Cc1ccccc1NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085359255 179031848 /nfs/dbraw/zinc/03/18/48/179031848.db2.gz LMVFZSDBLFZZNP-OLZOCXBDSA-N 2 0 261.369 1.814 10 0 CDAERP C[C@@H](C(=O)N1CC[C@H]([NH3+])C(C)(C)C1)[NH+]1CCCCCC1 ZINC000261733645 295747624 /nfs/dbraw/zinc/74/76/24/295747624.db2.gz CXGBEGWIJFROMM-KBPBESRZSA-N 2 0 281.444 1.837 10 0 CDAERP CN(C(=O)C[N@@H+]1CCCCC[C@H]1C1CC[NH2+]CC1)C1CC1 ZINC000085403768 179053041 /nfs/dbraw/zinc/05/30/41/179053041.db2.gz PWZAXWIWBOPZIJ-INIZCTEOSA-N 2 0 293.455 1.851 10 0 CDAERP CC(C)Cc1nc2c(n1[C@H]1CCC[N@H+](C)C1)CC[NH2+]C2 ZINC000085572137 179096985 /nfs/dbraw/zinc/09/69/85/179096985.db2.gz NYWJURRSGRZKHR-ZDUSSCGKSA-N 2 0 276.428 1.994 10 0 CDAERP CCO[C@@H]1C[C@@H]([NH2+]CCN2CC[NH+](C)CC2)C12CCCC2 ZINC000085680067 179113176 /nfs/dbraw/zinc/11/31/76/179113176.db2.gz GRFZCAVBCXGNAA-HZPDHXFCSA-N 2 0 295.471 1.561 10 0 CDAERP COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000414683578 365873138 /nfs/dbraw/zinc/87/31/38/365873138.db2.gz BNSCRACITHPXCG-RRFJBIMHSA-N 2 0 299.459 1.223 10 0 CDAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCO)CC1 ZINC000088670266 347235283 /nfs/dbraw/zinc/23/52/83/347235283.db2.gz RIEATFZRLSWKFZ-UHFFFAOYSA-N 2 0 277.412 1.301 10 0 CDAERP CC[C@H]1C[NH2+][C@H](C(C)C)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086152495 179240440 /nfs/dbraw/zinc/24/04/40/179240440.db2.gz QRHXVIKIPNCFRE-HRCADAONSA-N 2 0 265.445 1.789 10 0 CDAERP c1ccc(C[C@@H]2CN([C@@H]3CC[N@@H+](C4CC4)C3)CC[NH2+]2)cc1 ZINC000086145999 179239032 /nfs/dbraw/zinc/23/90/32/179239032.db2.gz HUBIQTWYERTNQC-SJLPKXTDSA-N 2 0 285.435 1.740 10 0 CDAERP C[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086182672 179247908 /nfs/dbraw/zinc/24/79/08/179247908.db2.gz GTFNBTUIBGACPE-YUELXQCFSA-N 2 0 265.445 1.789 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@H](CO)C2CCCC2)CC1(C)C ZINC000623528877 347617354 /nfs/dbraw/zinc/61/73/54/347617354.db2.gz JFVFPLDNYJROHD-UONOGXRCSA-N 2 0 254.418 2.000 10 0 CDAERP CN(C(=O)C[NH2+]C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000390820066 347736912 /nfs/dbraw/zinc/73/69/12/347736912.db2.gz VMHBOBOEOHDEKZ-MRXNPFEDSA-N 2 0 287.407 1.471 10 0 CDAERP C[N@H+](Cc1ccccc1)C1CN(C(=O)NC/C=C\C[NH3+])C1 ZINC000641867972 365952272 /nfs/dbraw/zinc/95/22/72/365952272.db2.gz XSYBEVONFPNTPD-WAYWQWQTSA-N 2 0 288.395 1.027 10 0 CDAERP CC(C)[NH+](CCNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C(C)C ZINC000416798284 535068504 /nfs/dbraw/zinc/06/85/04/535068504.db2.gz BXBZJKXIXHNTDR-GASCZTMLSA-N 2 0 296.459 1.641 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000252571648 348422535 /nfs/dbraw/zinc/42/25/35/348422535.db2.gz BPZYNFNXVUHKHN-ZIAGYGMSSA-N 2 0 267.417 1.319 10 0 CDAERP CN(CC1C[NH+](C)C1)C(=O)C1C[NH+](C2CCCCC2)C1 ZINC000618189658 349396673 /nfs/dbraw/zinc/39/66/73/349396673.db2.gz QAIDXCMHUMWNHA-UHFFFAOYSA-N 2 0 279.428 1.271 10 0 CDAERP CC[NH2+][C@H](C)C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000104421723 185996196 /nfs/dbraw/zinc/99/61/96/185996196.db2.gz RQFHCZFUGHRXSI-YUELXQCFSA-N 2 0 254.418 2.000 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1c2ccccc2C(=O)N1C ZINC000629536764 362950507 /nfs/dbraw/zinc/95/05/07/362950507.db2.gz IWPFXMWWXNKHRS-DOMZBBRYSA-N 2 0 291.395 1.157 10 0 CDAERP C[C@H]([NH2+]CCOCCC[NH3+])c1ccc2c(c1)OCCCO2 ZINC000629540278 362951257 /nfs/dbraw/zinc/95/12/57/362951257.db2.gz OMLWNWUHVBPEHO-ZDUSSCGKSA-N 2 0 294.395 1.864 10 0 CDAERP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC1CC[NH+](C)CC1 ZINC000106455480 186118421 /nfs/dbraw/zinc/11/84/21/186118421.db2.gz XZQHZXCPQYQYPA-MRXNPFEDSA-N 2 0 289.423 1.370 10 0 CDAERP CCO[C@@H](C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)C1CC1 ZINC000629534851 362959480 /nfs/dbraw/zinc/95/94/80/362959480.db2.gz CRLRCFBCOYKDCX-LSDHHAIUSA-N 2 0 252.402 1.877 10 0 CDAERP CCO[C@@H]1C[C@@H]([NH2+]CCOCCC[NH3+])C12CCCC2 ZINC000629540459 362963548 /nfs/dbraw/zinc/96/35/48/362963548.db2.gz UTJNOUXLRXIPQH-ZIAGYGMSSA-N 2 0 270.417 1.679 10 0 CDAERP CO[C@H]1C[C@@H](C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])C1 ZINC000629553892 362982058 /nfs/dbraw/zinc/98/20/58/362982058.db2.gz DEJWDKAJXPHUFB-DMRZNYOFSA-N 2 0 262.397 1.960 10 0 CDAERP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC1CC([NH+](C)C)C1 ZINC000622009316 350932421 /nfs/dbraw/zinc/93/24/21/350932421.db2.gz REIBYHXGGVRIRJ-UNXYVOJBSA-N 2 0 255.406 1.362 10 0 CDAERP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2cnc(N)s2)cc1 ZINC000580311249 366016640 /nfs/dbraw/zinc/01/66/40/366016640.db2.gz CLPGQKJSTLSRHN-VIFPVBQESA-N 2 0 262.382 1.865 10 0 CDAERP CC(C)(C[NH2+]C[C@@H](O)C[NH+]1CCCC1)[C@H]1CCCCO1 ZINC000629567606 363017912 /nfs/dbraw/zinc/01/79/12/363017912.db2.gz PQANWGZGRLRPRT-HUUCEWRRSA-N 2 0 284.444 1.628 10 0 CDAERP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@H]1CCCCO1 ZINC000623902515 351323904 /nfs/dbraw/zinc/32/39/04/351323904.db2.gz JXTPMJQOXWBHDO-GDBMZVCRSA-N 2 0 283.460 1.560 10 0 CDAERP COc1ccc([C@@H]2CCN(C[C@H](C)[NH3+])C2)cc1F ZINC000629588415 363062926 /nfs/dbraw/zinc/06/29/26/363062926.db2.gz HJHWFXWUMQMZRG-CMPLNLGQSA-N 2 0 252.333 1.971 10 0 CDAERP CCC[NH+]1CCC(C[NH2+]C[C@H](O)CN(C)C2CC2)CC1 ZINC000569838022 363131641 /nfs/dbraw/zinc/13/16/41/363131641.db2.gz ZSQDWDCMUUQVAN-INIZCTEOSA-N 2 0 283.460 1.153 10 0 CDAERP C[N@H+](C[C@@H](O)CNC[C@@H]1CC[NH+]1C1CCCCC1)C1CC1 ZINC000629601203 363157138 /nfs/dbraw/zinc/15/71/38/363157138.db2.gz AVNSNODIFPWSEV-IRXDYDNUSA-N 2 0 295.471 1.438 10 0 CDAERP COCC[C@@H](C)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000088510197 538284143 /nfs/dbraw/zinc/28/41/43/538284143.db2.gz HTRHDBAHBBKLCL-HZPDHXFCSA-N 2 0 283.460 1.513 10 0 CDAERP CN1CC[C@H]([NH+]2CCC(C[NH+]3CCCC3)CC2)C1=O ZINC000116277083 283116620 /nfs/dbraw/zinc/11/66/20/283116620.db2.gz SJLIDXDSLFDYIX-AWEZNQCLSA-N 2 0 265.401 1.025 10 0 CDAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000186753764 355989056 /nfs/dbraw/zinc/98/90/56/355989056.db2.gz CSBNJAHWKGASHR-SWLSCSKDSA-N 2 0 275.396 1.476 10 0 CDAERP [NH3+]CCC(=O)N1CC[NH+](CCCc2ccccc2)CC1 ZINC000001660231 355945030 /nfs/dbraw/zinc/94/50/30/355945030.db2.gz NLSJHWWMDDNTCV-UHFFFAOYSA-N 2 0 275.396 1.112 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@H+]([C@@H]2C[C@H]([NH3+])C23CCOCC3)C1 ZINC000725264369 538455656 /nfs/dbraw/zinc/45/56/56/538455656.db2.gz JBBTWCBICOVLJG-RFQIPJPRSA-N 2 0 252.402 1.861 10 0 CDAERP C[C@](O)(C[C@@H](O)C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)C1CC1 ZINC000634636825 356615246 /nfs/dbraw/zinc/61/52/46/356615246.db2.gz KLQOAMICPJXMCG-PBHICJAKSA-N 2 0 298.471 1.797 10 0 CDAERP C[C@](O)(C[C@H](O)C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)C1CC1 ZINC000634636828 356615264 /nfs/dbraw/zinc/61/52/64/356615264.db2.gz KLQOAMICPJXMCG-YOEHRIQHSA-N 2 0 298.471 1.797 10 0 CDAERP CCOC(=O)C1CC[NH+](C2CCC3(C[C@H]3[NH3+])CC2)CC1 ZINC000725271171 538461567 /nfs/dbraw/zinc/46/15/67/538461567.db2.gz YIDKSIXOQODXKS-NPCAHTBFSA-N 2 0 280.412 1.922 10 0 CDAERP CC[C@]1(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)CCC[NH2+]1 ZINC000364161161 357929829 /nfs/dbraw/zinc/92/98/29/357929829.db2.gz RDJZWHDWICXWEV-OFQRWUPVSA-N 2 0 279.428 1.509 10 0 CDAERP C[C@H]1C[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000336397626 291124696 /nfs/dbraw/zinc/12/46/96/291124696.db2.gz AYJBOKNLQPGDHG-DZGCQCFKSA-N 2 0 281.444 1.659 10 0 CDAERP Cc1ccccc1[C@H]([NH3+])C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634744314 358193433 /nfs/dbraw/zinc/19/34/33/358193433.db2.gz UVMLVQGMZZOVQI-BHYGNILZSA-N 2 0 287.407 1.453 10 0 CDAERP CC[NH2+]CC1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000113656104 366444743 /nfs/dbraw/zinc/44/47/43/366444743.db2.gz ZCJGNKSNVDZXBC-UHFFFAOYSA-N 2 0 281.444 1.757 10 0 CDAERP CCC[NH+]1CCC([NH2+]CC[C@](C)(O)COC)CC1 ZINC000449384897 358515574 /nfs/dbraw/zinc/51/55/74/358515574.db2.gz OTDHJFYBEGWYOD-AWEZNQCLSA-N 2 0 258.406 1.238 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)CC1 ZINC000634770600 358527099 /nfs/dbraw/zinc/52/70/99/358527099.db2.gz RBXHVOOPZKTZFZ-BBRMVZONSA-N 2 0 279.428 1.365 10 0 CDAERP C[C@H](NCC1([NH+](C)C)CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000400328477 299281698 /nfs/dbraw/zinc/28/16/98/299281698.db2.gz BBKQSPXPNZBEQA-UONOGXRCSA-N 2 0 253.434 1.839 10 0 CDAERP CN(CC1CC[NH+](C)CC1)C(=O)[C@]1(C)CCCC[NH2+]1 ZINC000133446038 358612709 /nfs/dbraw/zinc/61/27/09/358612709.db2.gz HPOGVNFWDSVEIW-HNNXBMFYSA-N 2 0 267.417 1.319 10 0 CDAERP c1ccc([C@H](CNC2=[NH+]CCCN2)[NH+]2CCCC2)cc1 ZINC000261875182 359073572 /nfs/dbraw/zinc/07/35/72/359073572.db2.gz PQUTYBCGBZKYKW-HNNXBMFYSA-N 2 0 272.396 1.762 10 0 CDAERP Cn1c2ccc(CN3CCC[C@@H](C[NH3+])C3)cc2sc1=O ZINC000261913077 359086812 /nfs/dbraw/zinc/08/68/12/359086812.db2.gz JNMFPBAYFNZCKE-LBPRGKRZSA-N 2 0 291.420 1.771 10 0 CDAERP C[C@]1(CN2CCN(C(=O)C3CCCCC3)CC2)CC[NH2+]C1 ZINC000261920118 359089783 /nfs/dbraw/zinc/08/97/83/359089783.db2.gz BOUURJPXXOZPPF-KRWDZBQOSA-N 2 0 293.455 1.711 10 0 CDAERP C[C@H]1C[C@H]([NH2+]CC2(CF)CCOCC2)CN1C1CC1 ZINC000449488866 359133511 /nfs/dbraw/zinc/13/35/11/359133511.db2.gz LVHUQXNFMGGZJQ-STQMWFEESA-N 2 0 270.392 1.968 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc2c(c1)COC2 ZINC000422987837 359701618 /nfs/dbraw/zinc/70/16/18/359701618.db2.gz HLZVNQCLCPLHRW-OAHLLOKOSA-N 2 0 264.369 1.560 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000335306132 359723504 /nfs/dbraw/zinc/72/35/04/359723504.db2.gz RDWGMFPFJKKQQJ-STQMWFEESA-N 2 0 282.432 1.382 10 0 CDAERP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C2CC2)[C@@H]2CNCCO2)C1 ZINC000422970924 359728525 /nfs/dbraw/zinc/72/85/25/359728525.db2.gz HNVWFPRRFPOBSB-VNQPRFMTSA-N 3 0 281.444 1.075 10 0 CDAERP CCN(CC)C(=O)C[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000423393230 359785148 /nfs/dbraw/zinc/78/51/48/359785148.db2.gz MCPCCZBNNCEOPI-AVGNSLFASA-N 2 0 255.406 1.221 10 0 CDAERP FC1(F)CC[NH2+]C[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000423474865 359809042 /nfs/dbraw/zinc/80/90/42/359809042.db2.gz HTTFGEIWDVRYKO-SRVKXCTJSA-N 2 0 259.344 1.200 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000637860498 366581081 /nfs/dbraw/zinc/58/10/81/366581081.db2.gz MVYODXAVASLPFC-DOMZBBRYSA-N 2 0 275.396 1.807 10 0 CDAERP C[C@H]([NH2+]CCSCC(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000423011630 299300271 /nfs/dbraw/zinc/30/02/71/299300271.db2.gz BGHJIWIEKDXRGJ-IUCAKERBSA-N 2 0 256.337 1.870 10 0 CDAERP C[NH2+][C@@H](C)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379667761 359904440 /nfs/dbraw/zinc/90/44/40/359904440.db2.gz BZEKQVUTRQWXCG-HOCLYGCPSA-N 2 0 289.423 1.765 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](C[C@@H](O)CN(C)C2CC2)CC1 ZINC000336847756 359917941 /nfs/dbraw/zinc/91/79/41/359917941.db2.gz GFGMWDGJCQWMNX-KRWDZBQOSA-N 2 0 297.487 1.495 10 0 CDAERP C[C@H]1CN(C2C[NH2+]C2)CC[N@H+](Cc2ccccc2)C1 ZINC000306348505 359933843 /nfs/dbraw/zinc/93/38/43/359933843.db2.gz SPIYXSOKBXWARH-CQSZACIVSA-N 2 0 259.397 1.412 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)c2cccnc2)[C@@H](C)C1 ZINC000348239603 359968507 /nfs/dbraw/zinc/96/85/07/359968507.db2.gz BMFUZQZGFPBRPQ-BPUTZDHNSA-N 2 0 277.412 1.477 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000094447174 360098423 /nfs/dbraw/zinc/09/84/23/360098423.db2.gz QCCNNQMOSHQSNY-KFWWJZLASA-N 2 0 291.439 1.461 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCC[C@H]([NH3+])C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000262333123 360056169 /nfs/dbraw/zinc/05/61/69/360056169.db2.gz YPYHRIPLBXBOSW-KBXIAJHMSA-N 2 0 281.444 1.741 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCN2CCO[C@H](C)C2)[C@H](C)C1 ZINC000337311976 360075503 /nfs/dbraw/zinc/07/55/03/360075503.db2.gz DGZBCIBQINMCFS-OAGGEKHMSA-N 2 0 283.460 1.369 10 0 CDAERP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000335426821 360165525 /nfs/dbraw/zinc/16/55/25/360165525.db2.gz BRUVZOJZGSTBDR-IUODEOHRSA-N 2 0 273.380 1.071 10 0 CDAERP C[C@@]1(C[NH2+]CCCC[NH+]2CCOCC2)CCCS1 ZINC000628203278 360252377 /nfs/dbraw/zinc/25/23/77/360252377.db2.gz AWESNDPLLUXPCZ-AWEZNQCLSA-N 2 0 272.458 1.974 10 0 CDAERP O=C(c1ccc2c[nH+]cn2c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000335499850 360271799 /nfs/dbraw/zinc/27/17/99/360271799.db2.gz LPJVXTXKBVCRMT-INIZCTEOSA-N 2 0 284.363 1.550 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000515653157 360528760 /nfs/dbraw/zinc/52/87/60/360528760.db2.gz WJANFWKYBRWMKO-OUJBWJOFSA-N 2 0 267.348 1.110 10 0 CDAERP CC1CC[NH+](CCNC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000626935031 360653952 /nfs/dbraw/zinc/65/39/52/360653952.db2.gz VIFFYNKGEPOLBA-ZIAGYGMSSA-N 2 0 282.432 1.158 10 0 CDAERP Cn1c2ccc(C[NH2+][C@@H]3CC[C@H](C[NH3+])C3)cc2sc1=O ZINC000516551202 360617475 /nfs/dbraw/zinc/61/74/75/360617475.db2.gz WIOSKVWESADFOX-CMPLNLGQSA-N 2 0 291.420 1.817 10 0 CDAERP C[NH+]1CCC(C[NH2+]CC2(O)CCC2)(N2CCCCC2)CC1 ZINC000564723515 360822860 /nfs/dbraw/zinc/82/28/60/360822860.db2.gz LSOJDHMCUCOOHR-UHFFFAOYSA-N 2 0 295.471 1.441 10 0 CDAERP CC[C@H]1CCCCC[N@@H+]1CCC(=O)N1CCN(C)CC1 ZINC000338322461 360844512 /nfs/dbraw/zinc/84/45/12/360844512.db2.gz WKUABUSCDQFVSS-HNNXBMFYSA-N 2 0 281.444 1.805 10 0 CDAERP C[C@H]1CN(Cc2cc(-c3cnn(C)c3)no2)CC[C@H]1[NH3+] ZINC000564729365 360980810 /nfs/dbraw/zinc/98/08/10/360980810.db2.gz PXAAWHGHMQOFCZ-GXFFZTMASA-N 2 0 275.356 1.244 10 0 CDAERP C[NH+](C)C1CCN(C(=O)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000036192647 361221851 /nfs/dbraw/zinc/22/18/51/361221851.db2.gz XIMNMAMCJSKXLE-ZDUSSCGKSA-N 2 0 267.417 1.319 10 0 CDAERP CC[NH2+]CCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000417949654 361603619 /nfs/dbraw/zinc/60/36/19/361603619.db2.gz VLSABBBZVSUZSO-HUUCEWRRSA-N 2 0 290.411 1.341 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC000636229895 363814711 /nfs/dbraw/zinc/81/47/11/363814711.db2.gz UEOOGGDTGAFQRF-ZDUSSCGKSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)[NH+](CC(=O)NC1CC[NH+](C2CC2)CC1)C(C)C ZINC000352767571 363857899 /nfs/dbraw/zinc/85/78/99/363857899.db2.gz CSADOQPLOOEQTA-UHFFFAOYSA-N 2 0 281.444 1.848 10 0 CDAERP C[C@@]1(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CCCS1 ZINC000628352068 363843701 /nfs/dbraw/zinc/84/37/01/363843701.db2.gz WVNKYMFKELTHMR-CABCVRRESA-N 2 0 284.469 1.803 10 0 CDAERP C[C@@H](C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)[C@H](C)[NH3+] ZINC000249036423 364448250 /nfs/dbraw/zinc/44/82/50/364448250.db2.gz MTRLMYWCSODKJZ-VNHYZAJKSA-N 2 0 277.412 1.259 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001661019684 1172322584 /nfs/dbraw/zinc/32/25/84/1172322584.db2.gz DTRSEQLPXPAREH-CQSZACIVSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@H]([NH2+][C@@H](CCO)C1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000423001937 299348038 /nfs/dbraw/zinc/34/80/38/299348038.db2.gz FIZKXQUAFHTCSW-CFVMTHIKSA-N 2 0 254.418 1.905 10 0 CDAERP COc1cc(Br)ccc1[C@@H]([NH3+])CC[NH3+] ZINC000575439491 364992951 /nfs/dbraw/zinc/99/29/51/364992951.db2.gz AQHIPSOEQHMYRD-VIFPVBQESA-N 2 0 259.147 1.806 10 0 CDAERP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)C1(C)C ZINC000181559919 365032285 /nfs/dbraw/zinc/03/22/85/365032285.db2.gz FZTKWSGIPINOPP-RRFJBIMHSA-N 2 0 284.444 1.626 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353502870 365263210 /nfs/dbraw/zinc/26/32/10/365263210.db2.gz MKUUKRRBEVUZOA-QBPKDAKJSA-N 3 0 294.487 1.085 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CC[C@H]1CCC[NH2+]C1 ZINC000251876771 366981029 /nfs/dbraw/zinc/98/10/29/366981029.db2.gz ULHCNYTURCEJIT-BZUAXINKSA-N 2 0 293.455 1.851 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)N(C)[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000174237970 367056614 /nfs/dbraw/zinc/05/66/14/367056614.db2.gz NCQOAQDMDUEQTC-QLFBSQMISA-N 2 0 296.459 1.595 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000223406525 367269180 /nfs/dbraw/zinc/26/91/80/367269180.db2.gz FEWCJAQIIVSGDM-MGPQQGTHSA-N 2 0 265.401 1.201 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000627021142 367243787 /nfs/dbraw/zinc/24/37/87/367243787.db2.gz QKNIVETXBXJFCW-IACUBPJLSA-N 2 0 280.416 1.053 10 0 CDAERP C[C@@H](CNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)[NH+](C)C ZINC000415973177 241817700 /nfs/dbraw/zinc/81/77/00/241817700.db2.gz MKVVIGGGCDLFAL-JTQLQIEISA-N 2 0 294.374 1.543 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccc(C[NH3+])cc1 ZINC000627107723 367454179 /nfs/dbraw/zinc/45/41/79/367454179.db2.gz BMIYMJJYFQZXPU-UONOGXRCSA-N 2 0 276.384 1.085 10 0 CDAERP CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627126296 367502367 /nfs/dbraw/zinc/50/23/67/367502367.db2.gz PYNGFBZZOCHJRC-CHWSQXEVSA-N 2 0 282.432 1.286 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000627166077 367599561 /nfs/dbraw/zinc/59/95/61/367599561.db2.gz OUFYXWSDUSZTBE-MELADBBJSA-N 2 0 282.432 1.110 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000416873419 242202898 /nfs/dbraw/zinc/20/28/98/242202898.db2.gz NQNFKMOZKINGER-ZIAGYGMSSA-N 2 0 292.427 1.543 10 0 CDAERP COC[C@H](Cc1ccccc1)[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000358389392 367651912 /nfs/dbraw/zinc/65/19/12/367651912.db2.gz DDEULMQVULZCMT-CWRNSKLLSA-N 2 0 262.397 1.784 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000417232652 242369997 /nfs/dbraw/zinc/36/99/97/242369997.db2.gz QBDWUVZYQJPITF-CHWSQXEVSA-N 2 0 278.400 1.153 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=O)NCC[C@@H]2CCC[NH2+]C2)C1 ZINC000417244982 242377864 /nfs/dbraw/zinc/37/78/64/242377864.db2.gz XTUKXUMGFCUEEW-LSDHHAIUSA-N 2 0 296.459 1.407 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)C[NH2+]1 ZINC000627199876 367689413 /nfs/dbraw/zinc/68/94/13/367689413.db2.gz FNLAJWSQZFLAHD-CRWXNKLISA-N 2 0 282.432 1.109 10 0 CDAERP [NH3+]CCCNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000417327381 242427300 /nfs/dbraw/zinc/42/73/00/242427300.db2.gz HCJPUCADFORMHH-UHFFFAOYSA-N 2 0 282.432 1.289 10 0 CDAERP CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627207917 367709530 /nfs/dbraw/zinc/70/95/30/367709530.db2.gz UMGMOBNDXPQXHA-JHJVBQTASA-N 2 0 270.421 1.142 10 0 CDAERP c1ccc(OCC2CC2)c(C[NH2+]CCN2CC[NH2+]CC2)c1 ZINC000414861470 367828395 /nfs/dbraw/zinc/82/83/95/367828395.db2.gz FSEUUQCHQKPBAF-UHFFFAOYSA-N 2 0 289.423 1.470 10 0 CDAERP OC[C@@H]1CCC2(CCOCC2)C[N@@H+]1CCCn1ccnc1 ZINC000528635562 367927643 /nfs/dbraw/zinc/92/76/43/367927643.db2.gz AHDABODJQICSID-HNNXBMFYSA-N 2 0 293.411 1.527 10 0 CDAERP [NH3+][C@H]1CC=C(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000638076291 368086421 /nfs/dbraw/zinc/08/64/21/368086421.db2.gz YIMQRRMSIZUOIR-KBPBESRZSA-N 2 0 263.385 1.121 10 0 CDAERP CC(C)C[C@H](C[NH3+])NC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000418421961 243058112 /nfs/dbraw/zinc/05/81/12/243058112.db2.gz AGDFZXCTXSIREL-SWLSCSKDSA-N 2 0 292.427 1.879 10 0 CDAERP C[C@@H]1CN(C(=O)NC[C@H]([NH3+])c2ccccc2)[C@H](C)C[NH2+]1 ZINC000418454963 243099363 /nfs/dbraw/zinc/09/93/63/243099363.db2.gz QYDCXLSBJOCNRC-BZPMIXESSA-N 2 0 276.384 1.078 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000418457555 243102465 /nfs/dbraw/zinc/10/24/65/243102465.db2.gz HCZQOUHHEXQLKE-WHOFXGATSA-N 2 0 290.411 1.633 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000418578669 243231505 /nfs/dbraw/zinc/23/15/05/243231505.db2.gz QFINFMFLRCBSSN-IHRRRGAJSA-N 2 0 282.432 1.110 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000418693362 243346603 /nfs/dbraw/zinc/34/66/03/243346603.db2.gz GWPLGQSWKFBNBA-NEPJUHHUSA-N 2 0 270.421 1.273 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000543641299 368942363 /nfs/dbraw/zinc/94/23/63/368942363.db2.gz MLNKRBGKABFGRC-UONOGXRCSA-N 2 0 282.432 1.206 10 0 CDAERP CC[C@@H](CO)[NH+]1CCN(CCCc2ccc(C)nc2)CC1 ZINC000361801297 369049017 /nfs/dbraw/zinc/04/90/17/369049017.db2.gz WARBXQNZRXYJSY-KRWDZBQOSA-N 2 0 291.439 1.711 10 0 CDAERP [NH3+][C@H](Cc1cn(C[C@@H]2CCC[NH2+]2)nn1)Cc1ccccc1 ZINC000630605492 369387154 /nfs/dbraw/zinc/38/71/54/369387154.db2.gz JRRCTEMRIOZEOJ-GJZGRUSLSA-N 2 0 285.395 1.143 10 0 CDAERP CN(C(=O)C(C)(C)C[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309767570 370958217 /nfs/dbraw/zinc/95/82/17/370958217.db2.gz GRRFMKBDQXAFRX-HNNXBMFYSA-N 2 0 289.423 1.704 10 0 CDAERP c1cnn(C2CC([NH2+][C@H]3CCN4CCCC[C@H]34)C2)c1 ZINC000638368745 369546895 /nfs/dbraw/zinc/54/68/95/369546895.db2.gz MQQOKRWVPMRIQD-PFSRBDOWSA-N 2 0 260.385 1.803 10 0 CDAERP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246805425 370089908 /nfs/dbraw/zinc/08/99/08/370089908.db2.gz KAFGOOHPIFAXSA-UYTSQGDYSA-N 2 0 291.439 1.604 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)CSC)[C@@H](C)C1 ZINC000249423058 370147237 /nfs/dbraw/zinc/14/72/37/370147237.db2.gz DXOXASOPZSTQQD-AVGNSLFASA-N 2 0 260.447 1.372 10 0 CDAERP CN1CCO[C@@H](CSCCC[NH+]2CCCCC2)C1 ZINC000564958758 370310045 /nfs/dbraw/zinc/31/00/45/370310045.db2.gz QLLAABCPVQODSC-CQSZACIVSA-N 2 0 272.458 1.926 10 0 CDAERP COCC[NH2+]C1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000565720529 370516617 /nfs/dbraw/zinc/51/66/17/370516617.db2.gz HWGZCPPNDGNVQQ-CQSZACIVSA-N 3 0 269.433 1.077 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422722250 245181445 /nfs/dbraw/zinc/18/14/45/245181445.db2.gz XIXUXEMIFHBNHW-IZGVIRRGSA-N 2 0 253.434 1.835 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CC(C)(C)N1CCC[C@@H](C)C1 ZINC000422752278 245214689 /nfs/dbraw/zinc/21/46/89/245214689.db2.gz DORGRRTVCCQICG-CABCVRRESA-N 2 0 285.476 1.840 10 0 CDAERP CCCC[NH+]1CCC([NH2+][C@@H](CC)Cn2cncn2)CC1 ZINC000340468506 371069043 /nfs/dbraw/zinc/06/90/43/371069043.db2.gz FHDOZFNZHAREOC-AWEZNQCLSA-N 2 0 279.432 1.911 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCOc1ccc(F)cc1F ZINC000422814839 245292282 /nfs/dbraw/zinc/29/22/82/245292282.db2.gz AHCUDGWYDHSGMO-LBPRGKRZSA-N 2 0 288.338 1.687 10 0 CDAERP C[C@H](N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1c[nH+]ccc1N ZINC000422859223 245344265 /nfs/dbraw/zinc/34/42/65/245344265.db2.gz HBXMUETVKNOFNG-SDDRHHMPSA-N 2 0 260.385 1.770 10 0 CDAERP COC[C@@H](C)C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000573407350 371532297 /nfs/dbraw/zinc/53/22/97/371532297.db2.gz MEHTYAAKOGBPRE-DZGCQCFKSA-N 2 0 254.418 1.933 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1ccc2nccn2c1 ZINC000573783608 371656554 /nfs/dbraw/zinc/65/65/54/371656554.db2.gz VOEOLJCDGODDNJ-ONGXEEELSA-N 2 0 259.313 1.288 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)Cc1cccc(OC)c1 ZINC000422953846 245433842 /nfs/dbraw/zinc/43/38/42/245433842.db2.gz GRRNFHFJMDPMSR-ZFWWWQNUSA-N 2 0 280.412 1.970 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1COc2ccccc21 ZINC000423121393 245584819 /nfs/dbraw/zinc/58/48/19/245584819.db2.gz IPNHZWQPMHRIDX-STQMWFEESA-N 2 0 264.369 1.506 10 0 CDAERP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccc2c(c1)OCC(=O)N2 ZINC000333303421 205200993 /nfs/dbraw/zinc/20/09/93/205200993.db2.gz QLKLYKOTINTJQC-MDZLAQPJSA-N 2 0 289.379 1.666 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)N(C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000341117549 373315901 /nfs/dbraw/zinc/31/59/01/373315901.db2.gz FKYWPPPHICKRSV-LSDHHAIUSA-N 2 0 298.475 1.842 10 0 CDAERP CCC(C)(C)NC(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000341198481 373467120 /nfs/dbraw/zinc/46/71/20/373467120.db2.gz WGNKLVMGQCDBDR-UHFFFAOYSA-N 2 0 269.433 1.565 10 0 CDAERP COCCOCCOCCC[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631834570 373739479 /nfs/dbraw/zinc/73/94/79/373739479.db2.gz ADONQLTZHVOWFQ-OAHLLOKOSA-N 2 0 288.432 1.259 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000669420835 483024778 /nfs/dbraw/zinc/02/47/78/483024778.db2.gz NWAPMASWSGJNME-HIFRSBDPSA-N 2 0 282.432 1.112 10 0 CDAERP CCO[C@H](C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)C1CC1 ZINC000631889219 374569375 /nfs/dbraw/zinc/56/93/75/374569375.db2.gz DLDHDHMYGZFFLT-RBSFLKMASA-N 2 0 252.402 1.875 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353690083 374656426 /nfs/dbraw/zinc/65/64/26/374656426.db2.gz RGKCKKQTFNNGMR-ZACQAIPSSA-N 3 0 297.487 1.807 10 0 CDAERP C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)C1OCCO1 ZINC000123819007 374727088 /nfs/dbraw/zinc/72/70/88/374727088.db2.gz TXDBDDRACWERTF-UHFFFAOYSA-N 2 0 268.401 1.557 10 0 CDAERP [NH3+][C@H]1CCCCCC[C@H]1C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000334321116 374897761 /nfs/dbraw/zinc/89/77/61/374897761.db2.gz WNSQTFDLPVMFHV-CABCVRRESA-N 2 0 293.455 1.886 10 0 CDAERP CC[C@H](COC)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000124769704 374840367 /nfs/dbraw/zinc/84/03/67/374840367.db2.gz WHPGMBRSGFSELQ-MRXNPFEDSA-N 2 0 297.487 1.951 10 0 CDAERP NC1=[NH+]C[C@@]2(CC[N@@H+]3CCC[C@H]32)N1Cc1ccccc1 ZINC000228038989 375674548 /nfs/dbraw/zinc/67/45/48/375674548.db2.gz SKJSNRNVLRQVFY-GOEBONIOSA-N 2 0 270.380 1.424 10 0 CDAERP C[C@@H]1CCC[C@@](CNC(=O)NCCC[NH3+])([NH+](C)C)C1 ZINC000417217967 375739024 /nfs/dbraw/zinc/73/90/24/375739024.db2.gz RXMZILKIAXXMHM-TZMCWYRMSA-N 2 0 270.421 1.145 10 0 CDAERP C[C@@H]1C[C@@H](N2CCC[C@@H]([NH3+])C2=O)C[N@@H+]1Cc1ccccc1 ZINC000306565716 375769235 /nfs/dbraw/zinc/76/92/35/375769235.db2.gz FSQADVFZDYCFOP-FVQBIDKESA-N 2 0 287.407 1.599 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCCC[C@@H]1O ZINC000631308841 376087041 /nfs/dbraw/zinc/08/70/41/376087041.db2.gz XHJVEQXZLMPMQP-CVEARBPZSA-N 2 0 286.379 1.969 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000638976235 376322585 /nfs/dbraw/zinc/32/25/85/376322585.db2.gz VYCGZYZZWICXDH-ZDUSSCGKSA-N 2 0 267.417 1.461 10 0 CDAERP [NH3+]C[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCN(C3CCC3)C1=O)C2 ZINC000631829214 376667323 /nfs/dbraw/zinc/66/73/23/376667323.db2.gz KPGHIEJOBRIRHO-BJJXKVORSA-N 2 0 277.412 1.201 10 0 CDAERP Cn1c2cc(C[N@@H+]3CCC[C@@H](CC[NH3+])C3)ccc2oc1=O ZINC000631825578 376655522 /nfs/dbraw/zinc/65/55/22/376655522.db2.gz MWYWFYBENQHRQY-LBPRGKRZSA-N 2 0 289.379 1.692 10 0 CDAERP C[C@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000631842701 376699344 /nfs/dbraw/zinc/69/93/44/376699344.db2.gz DSBKSLSECBLPHX-NWDGAFQWSA-N 2 0 252.333 1.731 10 0 CDAERP c1ccc(NC[C@@H]2CC[N@H+](C[C@H]3CCCO3)C2)nc1 ZINC000249901014 377483916 /nfs/dbraw/zinc/48/39/16/377483916.db2.gz SZCGFRWCLAVNHF-UONOGXRCSA-N 2 0 261.369 1.994 10 0 CDAERP C[C@H]1CCC[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000334875331 377638983 /nfs/dbraw/zinc/63/89/83/377638983.db2.gz RHDGSDWJYZOFLE-KBPBESRZSA-N 2 0 267.417 1.306 10 0 CDAERP C[C@@H]1CCN(C(=O)NCC2([NH3+])CCCCCC2)C[C@@H]1C[NH3+] ZINC000334935603 377703100 /nfs/dbraw/zinc/70/31/00/377703100.db2.gz NMSSDTAHIIWQMI-KGLIPLIRSA-N 2 0 296.459 1.664 10 0 CDAERP CCC[C@H](C(=O)NC[C@@H](C)C[NH+]1CCCCC1)[NH+](C)C ZINC000161685578 377751102 /nfs/dbraw/zinc/75/11/02/377751102.db2.gz GZKMZXUXZFFYEP-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H](CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)[N@H+](C)C1CC1 ZINC000417550284 377972491 /nfs/dbraw/zinc/97/24/91/377972491.db2.gz KWCKDOPISHVLKL-BXUZGUMPSA-N 2 0 280.416 1.005 10 0 CDAERP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000417559304 377982217 /nfs/dbraw/zinc/98/22/17/377982217.db2.gz XINCQNZMLBPTFS-KKUMJFAQSA-N 2 0 296.459 1.772 10 0 CDAERP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000262304506 284689007 /nfs/dbraw/zinc/68/90/07/284689007.db2.gz BZSFBPBOESCCPN-OFQRWUPVSA-N 2 0 295.471 1.859 10 0 CDAERP C[C@@H]1C[C@H]([N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)CCO1 ZINC000662325057 412897108 /nfs/dbraw/zinc/89/71/08/412897108.db2.gz BKANOLBXGWYRKK-RBSFLKMASA-N 2 0 270.417 1.597 10 0 CDAERP CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)C1 ZINC000657572647 412903512 /nfs/dbraw/zinc/90/35/12/412903512.db2.gz DWBLQYIJVAHIDI-HRCADAONSA-N 2 0 285.476 1.806 10 0 CDAERP CC[C@@H](C(=O)NC[C@H]1CC[N@H+](CC)C1)[NH+](CC)CC ZINC000344082780 379148228 /nfs/dbraw/zinc/14/82/28/379148228.db2.gz XGMVBUMNXIFNMB-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP [NH3+][C@H]1CCCCCC[C@H]1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261751936 183612993 /nfs/dbraw/zinc/61/29/93/183612993.db2.gz JAELSRCRKDVUCA-QXSJWSMHSA-N 2 0 293.455 1.742 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]CC1=CCCOC1 ZINC000657574320 412907850 /nfs/dbraw/zinc/90/78/50/412907850.db2.gz WGJYMHYICLUUJR-AWEZNQCLSA-N 2 0 269.433 1.195 10 0 CDAERP CN(C(=O)NC[C@H]1CCCC[NH2+]1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000634270308 379277443 /nfs/dbraw/zinc/27/74/43/379277443.db2.gz MTELYEKATZPZGE-RBKKPWLPSA-N 2 0 280.416 1.053 10 0 CDAERP C[C@@H]1[NH2+]CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@H]1C ZINC000417796075 379609850 /nfs/dbraw/zinc/60/98/50/379609850.db2.gz RKZFXTUDUJVUTB-UUQIVFDPSA-N 2 0 294.443 1.394 10 0 CDAERP CC(C)[NH2+]C1CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655914809 412918476 /nfs/dbraw/zinc/91/84/76/412918476.db2.gz ICRIZFIDOPOUAX-JTQLQIEISA-N 2 0 296.337 1.048 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000662378660 412940795 /nfs/dbraw/zinc/94/07/95/412940795.db2.gz FLRJJQBTASROHV-STQMWFEESA-N 2 0 299.440 1.219 10 0 CDAERP CN(CC[NH+]1CCCCC1)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655931051 412942162 /nfs/dbraw/zinc/94/21/62/412942162.db2.gz GLRQSGPODMMSNR-SNVBAGLBSA-N 2 0 296.337 1.003 10 0 CDAERP C[NH+](C)C1CCC(NC(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655931238 412942664 /nfs/dbraw/zinc/94/26/64/412942664.db2.gz HWCXMZFOZYPTCZ-UDNWOFFPSA-N 2 0 296.337 1.048 10 0 CDAERP C[C@@H](NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1CCC[NH2+]C1 ZINC000655961872 412966166 /nfs/dbraw/zinc/96/61/66/412966166.db2.gz AZHDAJIYDKZFEH-SYQHCUMBSA-N 2 0 282.432 1.014 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@H](C[NH3+])C2CCCCC2)C1 ZINC000655964392 412974838 /nfs/dbraw/zinc/97/48/38/412974838.db2.gz SFLMSWRMEJKLFE-VHDGCEQUSA-N 2 0 296.459 1.533 10 0 CDAERP CCC(C)(C)[NH+]1CCN(C(=O)NC/C=C/C[NH3+])CC1 ZINC000655968723 412981076 /nfs/dbraw/zinc/98/10/76/412981076.db2.gz YJTTWHLPQWJWAS-AATRIKPKSA-N 2 0 268.405 1.017 10 0 CDAERP CC(C)([NH3+])CCC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000648132426 390161941 /nfs/dbraw/zinc/16/19/41/390161941.db2.gz ODSYQBWPZKCRGO-UHFFFAOYSA-N 2 0 279.359 1.927 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2C[NH+](C)C[C@H]21 ZINC000646918971 390289360 /nfs/dbraw/zinc/28/93/60/390289360.db2.gz BYBXGVSIZPSSHM-MGPQQGTHSA-N 2 0 265.401 1.023 10 0 CDAERP CC[C@@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)C1CCCC1 ZINC000584108873 390472580 /nfs/dbraw/zinc/47/25/80/390472580.db2.gz XWRJREKYEIRBTQ-JKSUJKDBSA-N 2 0 283.460 1.153 10 0 CDAERP C[C@H](NC(=O)[C@H]1CC[C@@H]([NH3+])C1)C(C)(C)C[NH+](C)C ZINC000237529042 390847559 /nfs/dbraw/zinc/84/75/59/390847559.db2.gz GDJGEWFOXQZOFH-SDDRHHMPSA-N 2 0 255.406 1.206 10 0 CDAERP C[C@H](CC(=O)N[C@@H]1CC[NH2+]C12CCCC2)[C@@H]1CCC[NH2+]C1 ZINC000648205941 390951702 /nfs/dbraw/zinc/95/17/02/390951702.db2.gz PIJNCMAYBTVHOS-RBSFLKMASA-N 2 0 293.455 1.803 10 0 CDAERP C[NH2+][C@@H]1CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000417946881 391017265 /nfs/dbraw/zinc/01/72/65/391017265.db2.gz ZRULDRVAPHQVJB-JXQTWKCFSA-N 2 0 282.432 1.110 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N[C@@H](C)CCC[NH3+])CC1 ZINC000417753680 391028627 /nfs/dbraw/zinc/02/86/27/391028627.db2.gz UNGQNRKKDQMUFK-ZDUSSCGKSA-N 2 0 284.448 1.535 10 0 CDAERP CC(C)C[C@H]([NH3+])CN(C)C(C)(C)CN1CCOCC1 ZINC000415134057 391047232 /nfs/dbraw/zinc/04/72/32/391047232.db2.gz DJGKBHZINDPHFA-AWEZNQCLSA-N 2 0 271.449 1.402 10 0 CDAERP CC(C)([NH3+])c1noc(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)n1 ZINC000647899425 391190142 /nfs/dbraw/zinc/19/01/42/391190142.db2.gz JWEBRQQHRQQFTQ-RYUDHWBXSA-N 2 0 293.415 1.227 10 0 CDAERP CC(C)NC(=O)CC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000377269173 391258576 /nfs/dbraw/zinc/25/85/76/391258576.db2.gz WQDZEFURLKKJTJ-ZDUSSCGKSA-N 2 0 255.406 1.317 10 0 CDAERP Cn1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1=O ZINC000647900936 391192935 /nfs/dbraw/zinc/19/29/35/391192935.db2.gz HVDFQNOUYRWZCX-HUUCEWRRSA-N 2 0 275.396 1.349 10 0 CDAERP CC1=CC[N@H+](CCNC(=O)N(C)C2CC[NH2+]CC2)CC1 ZINC000418006158 391281421 /nfs/dbraw/zinc/28/14/21/391281421.db2.gz BQUXWFBXSDNJDF-UHFFFAOYSA-N 2 0 280.416 1.032 10 0 CDAERP C[C@H](NC(=O)NC[C@@H]([NH3+])c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000418340106 391342295 /nfs/dbraw/zinc/34/22/95/391342295.db2.gz LDXFNNXXCQDIAY-AEGPPILISA-N 2 0 290.411 1.374 10 0 CDAERP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCCC[NH3+] ZINC000417253266 391346977 /nfs/dbraw/zinc/34/69/77/391346977.db2.gz LGXFLTRBYDELHV-UPJWGTAASA-N 2 0 270.421 1.001 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000417812792 391481289 /nfs/dbraw/zinc/48/12/89/391481289.db2.gz LTGZPVOXGDKIFJ-CQSZACIVSA-N 2 0 297.443 1.121 10 0 CDAERP CS[C@H]1CC[C@@H]1[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000425355387 391483089 /nfs/dbraw/zinc/48/30/89/391483089.db2.gz ONCPYECQDJUHTO-GJZGRUSLSA-N 2 0 285.501 1.744 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000417816361 391483932 /nfs/dbraw/zinc/48/39/32/391483932.db2.gz PZKIMYQDODRLAG-STQMWFEESA-N 2 0 270.421 1.016 10 0 CDAERP CC(C)[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353525265 391626028 /nfs/dbraw/zinc/62/60/28/391626028.db2.gz XLZNPGCGXKJMKE-GBJTYRQASA-N 2 0 254.418 1.856 10 0 CDAERP C[C@@H]1CN(C(=O)CC[C@@H]([NH3+])c2ccccc2)C[C@@]1(C)C[NH3+] ZINC000521411029 391590448 /nfs/dbraw/zinc/59/04/48/391590448.db2.gz UWTDJOMBOXIBKH-FRFSOERESA-N 2 0 289.423 1.910 10 0 CDAERP C[C@@H](CNC(=O)NC[C@H]([NH3+])c1ccccc1)[N@H+](C)C1CC1 ZINC000417539342 391646648 /nfs/dbraw/zinc/64/66/48/391646648.db2.gz DZCIGVPOUFEDNY-WFASDCNBSA-N 2 0 290.411 1.468 10 0 CDAERP CC[C@@H]1[C@@H](CO)CC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000451264010 391650800 /nfs/dbraw/zinc/65/08/00/391650800.db2.gz ZTZHVGKOTBDBDS-IAGOWNOFSA-N 2 0 297.487 1.495 10 0 CDAERP C[N@H+](CCNC(=O)NC[C@@H]([NH3+])c1ccccc1)C1CC1 ZINC000417622666 391708597 /nfs/dbraw/zinc/70/85/97/391708597.db2.gz HUWBCVLQFJZMPV-CQSZACIVSA-N 2 0 276.384 1.080 10 0 CDAERP CC[C@@H]1C[C@H](C[NH2+]C[C@@H]2C[NH2+]CCCO2)CCO1 ZINC000415051571 391726700 /nfs/dbraw/zinc/72/67/00/391726700.db2.gz ZXUYJWUNLBSDIW-MCIONIFRSA-N 2 0 256.390 1.160 10 0 CDAERP C[C@@H](CCC(F)(F)F)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415045239 391736419 /nfs/dbraw/zinc/73/64/19/391736419.db2.gz TWAYXGNKOLUAOK-VHSXEESVSA-N 2 0 254.296 1.686 10 0 CDAERP CC[N@H+](CC(=O)N[C@@H]1CCC[NH+](CC)C1)C1CC1 ZINC000179168561 391759839 /nfs/dbraw/zinc/75/98/39/391759839.db2.gz MPVMBMBGWKLLAB-GFCCVEGCSA-N 2 0 253.390 1.071 10 0 CDAERP C[NH+]1CCC2(CC1)C[N@H+](CCCC1CCOCC1)CCO2 ZINC000646105639 392012843 /nfs/dbraw/zinc/01/28/43/392012843.db2.gz AREFISBWZHXPNF-UHFFFAOYSA-N 2 0 296.455 1.990 10 0 CDAERP C[NH+]1CCC2(CC1)C[N@H+](CCO[C@@H]1CCCCO1)CCO2 ZINC000646105836 392017255 /nfs/dbraw/zinc/01/72/55/392017255.db2.gz JIJQEUNGVOINRR-OAHLLOKOSA-N 2 0 298.427 1.326 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCc2ccnn2C)[C@H](C)C1 ZINC000336805903 392087456 /nfs/dbraw/zinc/08/74/56/392087456.db2.gz VQSVKXZLJGADBM-HIFRSBDPSA-N 2 0 264.417 1.625 10 0 CDAERP CC[N@H+](CC(=O)N1CCC2(C1)CC[NH+](C)CC2)C1CC1 ZINC000646250156 392206523 /nfs/dbraw/zinc/20/65/23/392206523.db2.gz GEXSDNPVIFQKKG-UHFFFAOYSA-N 2 0 279.428 1.415 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCOc2ccc(F)cc21 ZINC000422960010 392275893 /nfs/dbraw/zinc/27/58/93/392275893.db2.gz VCYRYNNDMRHPKW-TZMCWYRMSA-N 2 0 282.359 1.993 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000423028550 392285747 /nfs/dbraw/zinc/28/57/47/392285747.db2.gz GRIVDBAURZSOKD-HUUCEWRRSA-N 3 0 271.449 1.594 10 0 CDAERP C[C@@H]([NH2+]CCCNc1ccccc1F)C1C[NH2+]C1 ZINC000423035906 392290435 /nfs/dbraw/zinc/29/04/35/392290435.db2.gz SJOQVVAVTMIKLT-LLVKDONJSA-N 2 0 251.349 1.825 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000529356603 392357707 /nfs/dbraw/zinc/35/77/07/392357707.db2.gz FUYVVXHGJKZDOM-UONOGXRCSA-N 2 0 294.443 1.397 10 0 CDAERP CC1(C)CCC[N@@H+]1CCN[C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423158832 392397034 /nfs/dbraw/zinc/39/70/34/392397034.db2.gz DNYUWWNMZXGOPL-CABCVRRESA-N 2 0 281.444 1.217 10 0 CDAERP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CC2(O)CCOCC2)C1 ZINC000437584062 392465523 /nfs/dbraw/zinc/46/55/23/392465523.db2.gz QPMFBFVITPEBSU-OAHLLOKOSA-N 2 0 282.428 1.192 10 0 CDAERP CCCC[C@H](CC)C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000568218793 392416530 /nfs/dbraw/zinc/41/65/30/392416530.db2.gz BLIMCKXUDDUUSO-JKSUJKDBSA-N 2 0 285.476 1.401 10 0 CDAERP c1nnc([C@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)n1C1CC1 ZINC000573921218 392465046 /nfs/dbraw/zinc/46/50/46/392465046.db2.gz MYFTYBZVKNHPMF-AWEZNQCLSA-N 2 0 289.427 1.792 10 0 CDAERP CC[C@@H](Cn1cncn1)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423345346 392532551 /nfs/dbraw/zinc/53/25/51/392532551.db2.gz YUPGCTWCXINTDO-LBPRGKRZSA-N 2 0 251.378 1.036 10 0 CDAERP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000573935740 392471800 /nfs/dbraw/zinc/47/18/00/392471800.db2.gz OIZKUWLVWNCXHE-QLFBSQMISA-N 2 0 296.459 1.404 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@H]1C[NH2+]CCC1(F)F ZINC000423483850 392578924 /nfs/dbraw/zinc/57/89/24/392578924.db2.gz RWXADHPAHAITLB-JLLWLGSASA-N 2 0 259.344 1.056 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)[C@H]1C ZINC000495081331 393174197 /nfs/dbraw/zinc/17/41/97/393174197.db2.gz SWEOHNRBUALDFX-IVCRCZCHSA-N 2 0 266.429 1.998 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C1CC1)C1CCCCC1 ZINC000494865370 393114913 /nfs/dbraw/zinc/11/49/13/393114913.db2.gz SRDPUCFMXFGOGB-MRXNPFEDSA-N 2 0 293.455 1.994 10 0 CDAERP C[NH+](C)C[C@@H](NC(=O)[C@H]1[NH2+]CC1(C)C)c1ccccc1 ZINC000649281616 393315609 /nfs/dbraw/zinc/31/56/09/393315609.db2.gz XAAHXVAXLKGEOG-ZIAGYGMSSA-N 2 0 275.396 1.404 10 0 CDAERP C[C@@H]1[C@H](C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)CC[N@@H+]1C ZINC000648775547 393325709 /nfs/dbraw/zinc/32/57/09/393325709.db2.gz OHHSSCLYMGRLHV-BYNSBNAKSA-N 2 0 281.444 1.706 10 0 CDAERP CCN(C(=O)NC[C@@H]1CCCC[NH+]1CC)[C@@H]1CC[N@H+](C)C1 ZINC000664074754 413063427 /nfs/dbraw/zinc/06/34/27/413063427.db2.gz XFVCUDOQNHVKPS-LSDHHAIUSA-N 2 0 296.459 1.596 10 0 CDAERP C[C@H]1COCC[C@H]1[NH2+]CCCC[NH+]1CCOCC1 ZINC000192478247 140141187 /nfs/dbraw/zinc/14/11/87/140141187.db2.gz SSHBYMIWVSZQGL-UONOGXRCSA-N 2 0 256.390 1.113 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000236851840 140246092 /nfs/dbraw/zinc/24/60/92/140246092.db2.gz RFLQKVIISDUJJQ-CABCVRRESA-N 2 0 281.444 1.742 10 0 CDAERP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1nc(C(C)(C)[NH3+])no1 ZINC000251863880 140313839 /nfs/dbraw/zinc/31/38/39/140313839.db2.gz SSVIFXBHVYETTA-RYUDHWBXSA-N 2 0 293.415 1.322 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000261642487 140367470 /nfs/dbraw/zinc/36/74/70/140367470.db2.gz LKWQXYDQUIXCGA-ZNMIVQPWSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H]([NH3+])CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000261683318 140374858 /nfs/dbraw/zinc/37/48/58/140374858.db2.gz BOHVJKDCDWGWSR-ZDUSSCGKSA-N 2 0 275.396 1.636 10 0 CDAERP C[C@@]1(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)CC[NH2+]C1 ZINC000261707451 140378681 /nfs/dbraw/zinc/37/86/81/140378681.db2.gz DCHNSJKMSXSMBU-TZMCWYRMSA-N 2 0 254.374 1.071 10 0 CDAERP C[C@@H]1CCCN1C(=O)CC[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261724542 140381231 /nfs/dbraw/zinc/38/12/31/140381231.db2.gz NTRKLICNZYZYOO-OCCSQVGLSA-N 2 0 253.390 1.058 10 0 CDAERP [NH3+]CCN(CCc1ccccc1)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000261830564 140395470 /nfs/dbraw/zinc/39/54/70/140395470.db2.gz YZTBJQBFCNURSD-CVEARBPZSA-N 2 0 289.423 1.534 10 0 CDAERP CCN(C(=O)N[C@@H]1CC[NH+](C2CC2)C1)[C@H]1CC[N@H+](CC)C1 ZINC000664130701 413094589 /nfs/dbraw/zinc/09/45/89/413094589.db2.gz VIUDITPWRZFTNW-HIFRSBDPSA-N 2 0 294.443 1.349 10 0 CDAERP CC[C@H](C(=O)NCC[N@H+](CC=C(C)C)C1CC1)[NH+](C)C ZINC001663768757 1172760021 /nfs/dbraw/zinc/76/00/21/1172760021.db2.gz KXLZEYYIVJGQED-OAHLLOKOSA-N 2 0 281.444 1.873 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000152386371 289130643 /nfs/dbraw/zinc/13/06/43/289130643.db2.gz NTRQXKNAPGZNIO-CABCVRRESA-N 2 0 296.459 1.452 10 0 CDAERP CCC[C@]1([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)CCOC1 ZINC000394100439 397801308 /nfs/dbraw/zinc/80/13/08/397801308.db2.gz TUQOEOWTZVNQQD-KGLIPLIRSA-N 2 0 258.406 1.236 10 0 CDAERP C[N@@H+](Cc1cc2n(n1)CCCC2)CC1CC[NH+](C)CC1 ZINC000649528549 397804255 /nfs/dbraw/zinc/80/42/55/397804255.db2.gz MKJLVLGVTRBRPH-UHFFFAOYSA-N 2 0 276.428 1.993 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1C[C@@H](C)[NH+](C)[C@@H](C)C1 ZINC000651196770 397875991 /nfs/dbraw/zinc/87/59/91/397875991.db2.gz MLZUTBOHOMQPRJ-GASCZTMLSA-N 2 0 298.475 1.698 10 0 CDAERP C[C@H](CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)n1ccnc1 ZINC000649765220 397943557 /nfs/dbraw/zinc/94/35/57/397943557.db2.gz CRYZBOKKHIZFCE-MGPQQGTHSA-N 2 0 278.400 1.775 10 0 CDAERP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000120705762 398077103 /nfs/dbraw/zinc/07/71/03/398077103.db2.gz MAAVPPOBCGUUDE-GJZGRUSLSA-N 2 0 252.402 1.850 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)C1CCC([NH3+])CC1 ZINC000037626670 398097514 /nfs/dbraw/zinc/09/75/14/398097514.db2.gz WNULGHSGEGASBP-RUXDESIVSA-N 2 0 269.433 1.596 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000097093339 147121093 /nfs/dbraw/zinc/12/10/93/147121093.db2.gz IANBBZYMADRHFX-RWMBFGLXSA-N 2 0 255.406 1.206 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N1C[C@H]2CCC[NH+]2C[C@@H]1C ZINC000175770488 148008994 /nfs/dbraw/zinc/00/89/94/148008994.db2.gz IBPWGUQMIZIPCM-LSDHHAIUSA-N 2 0 296.459 1.596 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000246499403 148758187 /nfs/dbraw/zinc/75/81/87/148758187.db2.gz PVKXXGBYGMAICN-HZSPNIEDSA-N 2 0 265.401 1.058 10 0 CDAERP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000262136979 149025205 /nfs/dbraw/zinc/02/52/05/149025205.db2.gz OWVDOGHUHLRYKZ-WBVHZDCISA-N 2 0 283.375 1.419 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000262459646 149065263 /nfs/dbraw/zinc/06/52/63/149065263.db2.gz VHCBSUAKIHSSMN-HNNXBMFYSA-N 2 0 275.396 1.783 10 0 CDAERP CCOCC[C@H](O)C[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000444660438 286128435 /nfs/dbraw/zinc/12/84/35/286128435.db2.gz GAGRHJPCACJZIA-KKUMJFAQSA-N 2 0 272.433 1.436 10 0 CDAERP Cc1nc2ccccn2c1C[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000334858399 150000656 /nfs/dbraw/zinc/00/06/56/150000656.db2.gz SMHXGJDMLONDHL-YPMHNXCESA-N 2 0 258.369 1.730 10 0 CDAERP CC1=CC[N@H+](CCNC(=O)N2CC[NH2+][C@H](C)[C@H]2C)CC1 ZINC000335186522 150383807 /nfs/dbraw/zinc/38/38/07/150383807.db2.gz KAHWSOBMXHEAPP-ZIAGYGMSSA-N 2 0 280.416 1.030 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000362506992 296644789 /nfs/dbraw/zinc/64/47/89/296644789.db2.gz NZSUEDFGCOLSTJ-MGPQQGTHSA-N 2 0 267.417 1.412 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NCC1=CC[N@H+](C)CC1 ZINC000343491260 152201025 /nfs/dbraw/zinc/20/10/25/152201025.db2.gz QGXPDKWXIBNTEO-CYBMUJFWSA-N 2 0 282.432 1.278 10 0 CDAERP C[C@H]1C[N@H+](C)C[C@@H]1NCC[NH+](C)C1CCCCC1 ZINC000343784108 152301215 /nfs/dbraw/zinc/30/12/15/152301215.db2.gz PYMUKAWHVYENPM-ZFWWWQNUSA-N 2 0 253.434 1.791 10 0 CDAERP C[C@@H]([NH2+]CCO[C@@H]1CC1(F)F)C1CC[NH+](C)CC1 ZINC000658171055 413263718 /nfs/dbraw/zinc/26/37/18/413263718.db2.gz WJPFNGIGSLTUEC-ZYHUDNBSSA-N 2 0 262.344 1.731 10 0 CDAERP CC[NH+]1CCC([NH2+]CC[C@H](O)C(F)(F)F)CC1 ZINC000349312403 154085758 /nfs/dbraw/zinc/08/57/58/154085758.db2.gz FBFNDZRPFRIOPJ-JTQLQIEISA-N 2 0 254.296 1.374 10 0 CDAERP CC[NH+](CC)CCCCNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662683595 413307080 /nfs/dbraw/zinc/30/70/80/413307080.db2.gz QGHKYFKUDGOARL-UHFFFAOYSA-N 2 0 281.444 1.886 10 0 CDAERP O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)C1([NH2+]C2CC2)CCC1 ZINC000662686078 413310050 /nfs/dbraw/zinc/31/00/50/413310050.db2.gz AHXHQLXYVORCMV-KBPBESRZSA-N 2 0 277.412 1.404 10 0 CDAERP CCN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[C@H]1CC[N@H+](C)C1 ZINC000664370046 413322321 /nfs/dbraw/zinc/32/23/21/413322321.db2.gz YQFPZLSZALZTNM-KGLIPLIRSA-N 2 0 298.475 1.698 10 0 CDAERP C[N@H+](Cc1cn([C@H]2CCC[NH2+]C2)nn1)C1CCCCC1 ZINC000656468587 413329107 /nfs/dbraw/zinc/32/91/07/413329107.db2.gz OMVTUOSLBSDDSE-HNNXBMFYSA-N 2 0 277.416 1.967 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2CCC(O)CC2)[C@@H]2CCC[C@@H]21 ZINC000658281146 413335539 /nfs/dbraw/zinc/33/55/39/413335539.db2.gz BLYXKKJYPMGJTH-XJCPWDRGSA-N 2 0 266.429 2.000 10 0 CDAERP C[NH+](C)CCN(C(=O)CC1([NH3+])CC1)c1ccccc1 ZINC000662698287 413336355 /nfs/dbraw/zinc/33/63/55/413336355.db2.gz JNCRELNWNLDYFV-UHFFFAOYSA-N 2 0 261.369 1.463 10 0 CDAERP CCSCC[NH2+]CCCN1CC[NH+](CC)CC1 ZINC000355772778 157227149 /nfs/dbraw/zinc/22/71/49/157227149.db2.gz KKCNTEIGOPFOFC-UHFFFAOYSA-N 2 0 259.463 1.357 10 0 CDAERP CCN(C)c1ccc(C[NH2+]CCCC[NH+](C)C)cn1 ZINC000359750528 158362132 /nfs/dbraw/zinc/36/21/32/158362132.db2.gz ZZWNNGVOYMCMJO-UHFFFAOYSA-N 2 0 264.417 1.969 10 0 CDAERP CCC([NH3+])(CC)CNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000363992861 159361491 /nfs/dbraw/zinc/36/14/91/159361491.db2.gz BNENQJYSRYZSLB-BFQNTYOBSA-N 2 0 297.443 1.153 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)CC2([NH3+])CC2)[C@@H](C)C1 ZINC000662735774 413406796 /nfs/dbraw/zinc/40/67/96/413406796.db2.gz PUPZYRNRCNUSIA-KBPBESRZSA-N 2 0 297.443 1.121 10 0 CDAERP C[N@H+]1CC=C(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000371506332 160018739 /nfs/dbraw/zinc/01/87/39/160018739.db2.gz QNOCAAGIYOLOQQ-MCIONIFRSA-N 2 0 250.386 1.651 10 0 CDAERP CC[C@@H](COC)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000124769518 286850441 /nfs/dbraw/zinc/85/04/41/286850441.db2.gz WHPGMBRSGFSELQ-INIZCTEOSA-N 2 0 297.487 1.951 10 0 CDAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662747779 413425150 /nfs/dbraw/zinc/42/51/50/413425150.db2.gz BBOBOAJBSGFUCF-ZDUSSCGKSA-N 2 0 279.428 1.461 10 0 CDAERP CC(C)C[C@H]([NH3+])c1noc(-c2c[nH]nc2[C@H]2CC[NH2+]C2)n1 ZINC000656560426 413435399 /nfs/dbraw/zinc/43/53/99/413435399.db2.gz XMIQAZHBOJFXMQ-ONGXEEELSA-N 2 0 290.371 1.583 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000662667972 411818920 /nfs/dbraw/zinc/81/89/20/411818920.db2.gz FKGMRLLERNLRMD-QWHCGFSZSA-N 2 0 267.417 1.637 10 0 CDAERP CCC[NH+]1CCC(C[NH3+])(N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000019508883 170819619 /nfs/dbraw/zinc/81/96/19/170819619.db2.gz KPLFTVIPLNRROR-OKILXGFUSA-N 2 0 269.433 1.299 10 0 CDAERP C[C@@H]1C[NH+](CCC(=O)Nc2cccc(C[NH3+])c2)C[C@@H](C)O1 ZINC000022155207 171362105 /nfs/dbraw/zinc/36/21/05/171362105.db2.gz RLFMJJMYKYTAQD-CHWSQXEVSA-N 2 0 291.395 1.583 10 0 CDAERP C[C@H]1CCC[N@H+](CC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000022156203 171362287 /nfs/dbraw/zinc/36/22/87/171362287.db2.gz CKPXKTLXSKLBST-LBPRGKRZSA-N 2 0 261.369 1.816 10 0 CDAERP C[NH+]1CCN([C@@H](C[NH3+])c2ccc(OC(F)F)cc2)CC1 ZINC000022209404 171372773 /nfs/dbraw/zinc/37/27/73/171372773.db2.gz DEZYXSRLMODLGX-ZDUSSCGKSA-N 2 0 285.338 1.535 10 0 CDAERP CN([C@@H](C[NH3+])c1ccsc1)C1CC[NH+](C)CC1 ZINC000022220683 171377975 /nfs/dbraw/zinc/37/79/75/171377975.db2.gz OFLBDKPTZVEJCF-ZDUSSCGKSA-N 2 0 253.415 1.774 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000653213954 412141315 /nfs/dbraw/zinc/14/13/15/412141315.db2.gz AIQIQVLUPKQNJI-GOSISDBHSA-N 2 0 297.402 1.896 10 0 CDAERP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccccc1C[NH2+]C ZINC000653214359 412142506 /nfs/dbraw/zinc/14/25/06/412142506.db2.gz QWYNGAKBPAKFEF-LSDHHAIUSA-N 2 0 275.396 1.410 10 0 CDAERP CC[C@H](C(=O)NCCC1(C[NH3+])CC1)[NH+](CC)CC ZINC000653221199 412147818 /nfs/dbraw/zinc/14/78/18/412147818.db2.gz MPJSECPPJCWANO-GFCCVEGCSA-N 2 0 255.406 1.352 10 0 CDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662801408 413518663 /nfs/dbraw/zinc/51/86/63/413518663.db2.gz VQPPQQXISAAXQK-BPLDGKMQSA-N 2 0 275.396 1.360 10 0 CDAERP CN(CC1C[NH+](C)C1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000660941156 413675175 /nfs/dbraw/zinc/67/51/75/413675175.db2.gz SUKQMABKGZXVDN-UHFFFAOYSA-N 2 0 296.459 1.310 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662893929 413668374 /nfs/dbraw/zinc/66/83/74/413668374.db2.gz RXVMRIVUMHZHSC-JHJVBQTASA-N 2 0 255.406 1.480 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)N(CC)[C@@H]1CC[NH+](C)C1 ZINC000664935456 413743867 /nfs/dbraw/zinc/74/38/67/413743867.db2.gz ZKVCSORXJUFTSN-HUUCEWRRSA-N 2 0 298.475 1.842 10 0 CDAERP O=C(C[C@H]1[NH2+]Cc2ccccc21)NCCC[C@@H]1CCC[NH2+]1 ZINC000659310755 413700401 /nfs/dbraw/zinc/70/04/01/413700401.db2.gz ISJJCAFPLYUSEH-GOEBONIOSA-N 2 0 287.407 1.869 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)c1c[nH+]ccc1N(C)C ZINC000662927262 413710578 /nfs/dbraw/zinc/71/05/78/413710578.db2.gz VZPFSXHSFSRCNE-GFCCVEGCSA-N 2 0 264.373 1.251 10 0 CDAERP O=C(CC[NH2+]C1CC1)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659364070 413747108 /nfs/dbraw/zinc/74/71/08/413747108.db2.gz GVHHSBULVRFWHZ-HNNXBMFYSA-N 2 0 289.379 1.428 10 0 CDAERP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)NCC12CC(C1)C[NH2+]2 ZINC000659487355 413877675 /nfs/dbraw/zinc/87/76/75/413877675.db2.gz ZDEFEIKSNMAJQM-CXOJTPOUSA-N 2 0 292.427 1.055 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000659447508 413832608 /nfs/dbraw/zinc/83/26/08/413832608.db2.gz QRIKMZOXRFWVHR-OAHLLOKOSA-N 2 0 298.475 1.924 10 0 CDAERP CCC[NH2+]CCNC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659525546 413923964 /nfs/dbraw/zinc/92/39/64/413923964.db2.gz VDVIQFLDWMNDOY-OAHLLOKOSA-N 2 0 296.459 1.407 10 0 CDAERP CC[NH2+][C@H](C)CNC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659536946 413942387 /nfs/dbraw/zinc/94/23/87/413942387.db2.gz BBJQGQNAGWTVGM-UKRRQHHQSA-N 2 0 296.459 1.406 10 0 CDAERP CNC(=O)CC1(C[NH2+][C@@H](CCC[NH3+])COC)CCCCC1 ZINC000665275645 414007816 /nfs/dbraw/zinc/00/78/16/414007816.db2.gz OCJPUDXWUPFVES-AWEZNQCLSA-N 2 0 299.459 1.417 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC000665274170 414008642 /nfs/dbraw/zinc/00/86/42/414008642.db2.gz LHIJTYZHNYYBMA-UWVGGRQHSA-N 2 0 250.333 1.621 10 0 CDAERP C[C@H]1C[C@H](CNC(=O)N2CCN(C)C[C@H]2C[NH3+])C[C@@H](C)C1 ZINC000659566511 413977018 /nfs/dbraw/zinc/97/70/18/413977018.db2.gz LAXPLHXIZBGKNS-CBBWQLFWSA-N 2 0 296.459 1.343 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCN(C2CCCCC2)C1 ZINC000665267043 414001420 /nfs/dbraw/zinc/00/14/20/414001420.db2.gz OQZHFAGFMZUWJA-HUUCEWRRSA-N 2 0 283.460 1.737 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000659619685 414028167 /nfs/dbraw/zinc/02/81/67/414028167.db2.gz RHWTWAPPNKJIPV-DGCLKSJQSA-N 2 0 270.421 1.129 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000665299143 414044254 /nfs/dbraw/zinc/04/42/54/414044254.db2.gz HKCNXEHOPZYEQH-HZPDHXFCSA-N 3 0 283.460 1.452 10 0 CDAERP CO[C@H](C[NH+]1CCC(C[NH+]2CCOCC2)CC1)C1CCC1 ZINC000659844176 414177617 /nfs/dbraw/zinc/17/76/17/414177617.db2.gz HRJWRHZIZWKVPS-QGZVFWFLSA-N 2 0 296.455 1.846 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C2CCN([C@H]3CCOC3)CC2)C1 ZINC000655803029 414194856 /nfs/dbraw/zinc/19/48/56/414194856.db2.gz KWRDLKVXVVCYGZ-CWRNSKLLSA-N 2 0 281.444 1.170 10 0 CDAERP NC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657370589 414246650 /nfs/dbraw/zinc/24/66/50/414246650.db2.gz JDLPHYDNUGUKMQ-QWHCGFSZSA-N 2 0 299.378 1.401 10 0 CDAERP COC[C@@H](C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)OC ZINC000659974631 414316132 /nfs/dbraw/zinc/31/61/32/414316132.db2.gz OGAHTYNYQBWYHP-HUUCEWRRSA-N 2 0 270.417 1.312 10 0 CDAERP CC[C@H](O)CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657398174 414284782 /nfs/dbraw/zinc/28/47/82/414284782.db2.gz JBIGSCKBCOGQKQ-AWEZNQCLSA-N 2 0 260.341 1.518 10 0 CDAERP [NH3+]C1(CNCc2nc3c(s2)C[NH2+]CC3)CCCCCC1 ZINC000663492624 414290164 /nfs/dbraw/zinc/29/01/64/414290164.db2.gz AOOYLTVFMDTZDZ-UHFFFAOYSA-N 2 0 294.468 1.930 10 0 CDAERP C([N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)[C@]12C[C@H]1C[NH2+]C2 ZINC000663496041 414291946 /nfs/dbraw/zinc/29/19/46/414291946.db2.gz COGQIOAANSRQHU-HRCADAONSA-N 3 0 263.429 1.308 10 0 CDAERP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](OC)[C@H]2CCOC2)C1 ZINC000659989189 414331577 /nfs/dbraw/zinc/33/15/77/414331577.db2.gz FEJZJUAJXMHFIU-SOUVJXGZSA-N 2 0 270.417 1.312 10 0 CDAERP Cn1ncc(C2CC2)c1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000657505390 414405287 /nfs/dbraw/zinc/40/52/87/414405287.db2.gz XDLMXFPKBYQGDS-BJHJDKERSA-N 2 0 262.401 1.727 10 0 CDAERP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C2CCC2)C1 ZINC000662041823 414487267 /nfs/dbraw/zinc/48/72/67/414487267.db2.gz COLJLUBXQUCAIJ-CABCVRRESA-N 2 0 254.418 1.811 10 0 CDAERP CC(C[NH+]1CCC2(COC2)C1)C[N@@H+]1CCC2(COC2)C1 ZINC000662072706 414499276 /nfs/dbraw/zinc/49/92/76/414499276.db2.gz ATGXZFQCZQCQLK-UHFFFAOYSA-N 2 0 280.412 1.067 10 0 CDAERP C[N@H+](CCOc1ccccc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249043 414585951 /nfs/dbraw/zinc/58/59/51/414585951.db2.gz HEYVYKCSDCWETE-OAHLLOKOSA-N 2 0 276.380 1.518 10 0 CDAERP Cc1ccccc1C[NH+]1CCN(C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662258076 414593678 /nfs/dbraw/zinc/59/36/78/414593678.db2.gz HYTRSNDLLGQBDB-KRWDZBQOSA-N 2 0 289.423 1.101 10 0 CDAERP CN(C)C(=O)NCC[N@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000662280347 414611329 /nfs/dbraw/zinc/61/13/29/414611329.db2.gz OGFBBJJELGFFCB-UHFFFAOYSA-N 2 0 290.411 1.035 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC[C@H](O)C[NH+](C)CC ZINC000662180650 414555618 /nfs/dbraw/zinc/55/56/18/414555618.db2.gz TVHSGFCZLNAAAL-ZDUSSCGKSA-N 2 0 259.438 1.009 10 0 CDAERP FC(F)(F)CN1CC[C@@H](C[NH2+]C2CC[NH2+]CC2)C1 ZINC000038041455 174041850 /nfs/dbraw/zinc/04/18/50/174041850.db2.gz BMUFUYQJIDJRSY-JTQLQIEISA-N 2 0 265.323 1.212 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)[C@H]([NH3+])CC(C)C)CC1 ZINC000038100749 174115490 /nfs/dbraw/zinc/11/54/90/174115490.db2.gz UNYNOXXXVAXQBV-CQSZACIVSA-N 2 0 269.433 1.693 10 0 CDAERP CCC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]C(C)(C)C(N)=O)C1 ZINC000040674464 174372836 /nfs/dbraw/zinc/37/28/36/174372836.db2.gz NRSBXOBPWDVZFM-NEPJUHHUSA-N 2 0 255.406 1.350 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C1(C[NH3+])CC[NH+](C(C)C)CC1 ZINC000042744676 174864295 /nfs/dbraw/zinc/86/42/95/174864295.db2.gz BIUNRFPDBBZEDP-UHFFFAOYSA-N 3 0 298.519 1.708 10 0 CDAERP C[C@@H]([NH3+])[C@@H](c1ccco1)N1CCC([NH+](C)C)CC1 ZINC000043335162 175010954 /nfs/dbraw/zinc/01/09/54/175010954.db2.gz ANXAODBYLLHDJR-RISCZKNCSA-N 2 0 251.374 1.694 10 0 CDAERP C[C@H]([NH3+])[C@@H](c1ccco1)N1CCC(C[NH+](C)C)CC1 ZINC000043335939 175011667 /nfs/dbraw/zinc/01/16/67/175011667.db2.gz AFIQEWWMAPUYNV-WFASDCNBSA-N 2 0 265.401 1.942 10 0 CDAERP CC[C@@H]([NH3+])[C@H](N1CCC[N@H+](C)CC1)C(F)(F)F ZINC000043376794 175030226 /nfs/dbraw/zinc/03/02/26/175030226.db2.gz RRQTUPWRABAPQY-ZJUUUORDSA-N 2 0 253.312 1.292 10 0 CDAERP O=C(CC[C@H]1CCC[NH2+]C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000043589535 175073522 /nfs/dbraw/zinc/07/35/22/175073522.db2.gz NCNFTGNOAINNDE-ZIAGYGMSSA-N 2 0 265.401 1.073 10 0 CDAERP CC[NH+]1CCN(C[C@@H]([NH2+]C)c2ccc(C)cc2)CC1 ZINC000043805710 175107497 /nfs/dbraw/zinc/10/74/97/175107497.db2.gz RSZKZEGJSHMIQA-MRXNPFEDSA-N 2 0 261.413 1.893 10 0 CDAERP CCC[NH2+][C@@H]1CCC[C@H]1N1CCC([NH+](C)C)CC1 ZINC000043897531 175120712 /nfs/dbraw/zinc/12/07/12/175120712.db2.gz QNBYFMMSWWOLLJ-HUUCEWRRSA-N 2 0 253.434 1.933 10 0 CDAERP C[NH2+][C@H](C)[C@@H](C)N1CCC([NH+]2CCCCC2)CC1 ZINC000043907791 175123263 /nfs/dbraw/zinc/12/32/63/175123263.db2.gz SUZJPGCPJMEXCG-ZIAGYGMSSA-N 2 0 253.434 1.933 10 0 CDAERP CCC[NH2+][C@H](CC)[C@H](C)N1CC[NH+](C2CC2)CC1 ZINC000043967796 175128978 /nfs/dbraw/zinc/12/89/78/175128978.db2.gz WLNLUGMOOCQMSV-DZGCQCFKSA-N 2 0 253.434 1.933 10 0 CDAERP C[NH2+][C@@H]1c2ccccc2C[C@H]1N1CC[NH+](CC2CC2)CC1 ZINC000043967867 175129275 /nfs/dbraw/zinc/12/92/75/175129275.db2.gz SXIQEICWXHPOLA-QZTJIDSGSA-N 2 0 285.435 1.899 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000044364694 175167543 /nfs/dbraw/zinc/16/75/43/175167543.db2.gz IWOZTUQAPRMJJG-AWEZNQCLSA-N 2 0 275.396 1.605 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000044364689 175167883 /nfs/dbraw/zinc/16/78/83/175167883.db2.gz IWOZTUQAPRMJJG-CQSZACIVSA-N 2 0 275.396 1.605 10 0 CDAERP C[C@@H](c1cccc(-n2cnnn2)c1)[NH+]1CCC(C[NH3+])CC1 ZINC000044511735 175188019 /nfs/dbraw/zinc/18/80/19/175188019.db2.gz WHAXMTIQHBXLGZ-LBPRGKRZSA-N 2 0 286.383 1.394 10 0 CDAERP COc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531147 175196243 /nfs/dbraw/zinc/19/62/43/175196243.db2.gz PBNXCBIPJHQKGF-CYBMUJFWSA-N 2 0 291.395 1.695 10 0 CDAERP CC[N@@H+]1CC[C@@H](CNC(=O)C2(C[NH3+])CCCCC2)C1 ZINC000044763026 175247127 /nfs/dbraw/zinc/24/71/27/175247127.db2.gz LGKUZBAITCZBCA-ZDUSSCGKSA-N 2 0 267.417 1.354 10 0 CDAERP CCCC(C[NH3+])(CCC)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000044802687 175256193 /nfs/dbraw/zinc/25/61/93/175256193.db2.gz CEEZEKDECPVCDL-CYBMUJFWSA-N 2 0 269.433 1.600 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[C@@H](C)[NH2+]C1)[NH+]1CCCCC1 ZINC000045010332 175289401 /nfs/dbraw/zinc/28/94/01/175289401.db2.gz YEDFETVOWRMVGM-MCIONIFRSA-N 2 0 267.417 1.365 10 0 CDAERP C[NH2+][C@H](C)c1cccc(S(=O)(=O)NC[C@@H](C)[NH+](C)C)c1 ZINC000045110256 175310122 /nfs/dbraw/zinc/31/01/22/175310122.db2.gz ZHQCBUWQCZQYLN-VXGBXAGGSA-N 2 0 299.440 1.195 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCCC[C@@H]2O)C1 ZINC000045134661 175312962 /nfs/dbraw/zinc/31/29/62/175312962.db2.gz PJSIUQGOUIHMDB-ZNMIVQPWSA-N 2 0 254.418 2.000 10 0 CDAERP CCOC(=O)[C@@](C)(CC[NH+]1CCC(C[NH+](C)C)CC1)NC ZINC000045277108 175347643 /nfs/dbraw/zinc/34/76/43/175347643.db2.gz VYXBJFUFKRXIQE-MRXNPFEDSA-N 2 0 299.459 1.191 10 0 CDAERP CCOC(=O)[C@](C)([NH3+])CCCC[N@H+](C)C1CCN(C)CC1 ZINC000045379284 175368622 /nfs/dbraw/zinc/36/86/22/175368622.db2.gz WZMFKLDVNJOYQV-MRXNPFEDSA-N 2 0 299.459 1.463 10 0 CDAERP CCC[NH2+][C@](C)(CCC[N@H+](C)C[C@@H]1CCCCO1)C(N)=O ZINC000045421258 175379739 /nfs/dbraw/zinc/37/97/39/175379739.db2.gz DSAFYCYVPVMPIR-GOEBONIOSA-N 2 0 299.459 1.511 10 0 CDAERP CCC[NH2+][C@](C)(CCCC[N@H+](C)[C@@H](C)COC)C(N)=O ZINC000045421418 175379968 /nfs/dbraw/zinc/37/99/68/175379968.db2.gz VSQPAMMRTMMXQU-DZGCQCFKSA-N 2 0 287.448 1.367 10 0 CDAERP CCC[NH2+][C@@H]1CCCN([C@H]2CC[N@@H+](C3CC3)C2)C1=O ZINC000071034041 176024362 /nfs/dbraw/zinc/02/43/62/176024362.db2.gz NQOHLTUGERJLHE-UONOGXRCSA-N 2 0 265.401 1.214 10 0 CDAERP CC[C@@H]1CCC[C@H]([NH2+]CCN2CC[NH+](C)CC2)C1 ZINC000071117871 176034294 /nfs/dbraw/zinc/03/42/94/176034294.db2.gz KOQSADLYTBECCM-CABCVRRESA-N 2 0 253.434 1.792 10 0 CDAERP CC[C@@H]1CCC[C@H]([N@H+](C)CCN2CC[NH2+]CC2)C1 ZINC000071126408 176035910 /nfs/dbraw/zinc/03/59/10/176035910.db2.gz WUIOPLIYPBFMMI-CABCVRRESA-N 2 0 253.434 1.792 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)[C@@H](C[NH3+])c1cc(F)ccc1F ZINC000071188337 176062897 /nfs/dbraw/zinc/06/28/97/176062897.db2.gz DJLBOFKMULZSEZ-ABAIWWIYSA-N 2 0 283.366 1.848 10 0 CDAERP Cc1nn(C)c(N(C)C[C@@H]2CC[N@H+](C)C2)c1C[NH2+]C(C)C ZINC000071190051 176065390 /nfs/dbraw/zinc/06/53/90/176065390.db2.gz JLVBLQZILLICQE-CQSZACIVSA-N 2 0 293.459 1.614 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)CC(C)(C)C[NH2+]C1CC1 ZINC000071191512 176070369 /nfs/dbraw/zinc/07/03/69/176070369.db2.gz VHGQYOIHGZSZLI-CYBMUJFWSA-N 2 0 253.434 1.648 10 0 CDAERP C[NH2+]Cc1nc(N(C)C[C@@H]2CC[N@H+](C)C2)ccc1Cl ZINC000071191786 176071229 /nfs/dbraw/zinc/07/12/29/176071229.db2.gz DFIBCBVLEYFWQN-LLVKDONJSA-N 2 0 282.819 1.842 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)c1ccc(C[NH2+]C2CC2)cn1 ZINC000071191667 176071721 /nfs/dbraw/zinc/07/17/21/176071721.db2.gz FYQPTUSZTYMUMG-CQSZACIVSA-N 2 0 274.412 1.722 10 0 CDAERP CN(CC[NH2+]CC1CCCC1)C[C@H]1CC[N@H+](C)C1 ZINC000071192382 176074039 /nfs/dbraw/zinc/07/40/39/176074039.db2.gz IGRITNGTBVMECU-HNNXBMFYSA-N 2 0 253.434 1.650 10 0 CDAERP Cc1nc(N(C)C[C@@H]2CC[N@H+](C)C2)sc1[C@@H](C)[NH3+] ZINC000071192526 176074711 /nfs/dbraw/zinc/07/47/11/176074711.db2.gz UNWJEIBEQCYFOP-MWLCHTKSSA-N 2 0 268.430 1.859 10 0 CDAERP CC(C)[NH2+][C@@H]1CCCN(CCC[NH+]2CCCC2)C1 ZINC000071200301 176077453 /nfs/dbraw/zinc/07/74/53/176077453.db2.gz OZOMOUUYLKLKBX-OAHLLOKOSA-N 2 0 253.434 1.935 10 0 CDAERP CC(C)[NH+]1CCN(Cc2ccc(F)cc2C[NH3+])CC1 ZINC000071250723 176095131 /nfs/dbraw/zinc/09/51/31/176095131.db2.gz QLBAKQMYYWJLHI-UHFFFAOYSA-N 2 0 265.376 1.810 10 0 CDAERP NC(=[NH2+])c1cc(F)ccc1C[N@@H+]1CCCC[C@@H]1CO ZINC000071267752 176101042 /nfs/dbraw/zinc/10/10/42/176101042.db2.gz XTUIVYMAOIGPCF-GFCCVEGCSA-N 2 0 265.332 1.457 10 0 CDAERP C[NH2+]CCCCCC[N@@H+]1CC[C@@H](N2CCCC2)C1 ZINC000071289999 176110489 /nfs/dbraw/zinc/11/04/89/176110489.db2.gz SGBDNVVGBJXGGE-OAHLLOKOSA-N 2 0 253.434 1.936 10 0 CDAERP CN(C)[C@@H]1CC[N@H+](CCCCCC[NH2+]C2CC2)C1 ZINC000071289968 176110546 /nfs/dbraw/zinc/11/05/46/176110546.db2.gz HURLAFAPZLMTPP-OAHLLOKOSA-N 2 0 253.434 1.935 10 0 CDAERP C[N@H+](CCNC[C@H]1CCCC[NH+]1C)C1CCCC1 ZINC000071377080 176142305 /nfs/dbraw/zinc/14/23/05/176142305.db2.gz LMZUMXWAOGSKSH-OAHLLOKOSA-N 2 0 253.434 1.935 10 0 CDAERP CC[NH2+][C@@H](CCN1CC[NH+](CC(C)(C)O)CC1)C(C)(C)C ZINC000071381740 176145629 /nfs/dbraw/zinc/14/56/29/176145629.db2.gz BEBUJPQQBJAUHP-HNNXBMFYSA-N 2 0 299.503 1.789 10 0 CDAERP C[C@@H]1CN(C(=O)[C@](C)([NH3+])c2ccccc2)C[C@@]1(C)C[NH3+] ZINC000417826303 296905572 /nfs/dbraw/zinc/90/55/72/296905572.db2.gz CBEQOUYFSZXWJJ-DAXOMENPSA-N 2 0 275.396 1.304 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000417929432 227209574 /nfs/dbraw/zinc/20/95/74/227209574.db2.gz IZAHMLGCVIJDEM-JXQTWKCFSA-N 2 0 282.432 1.158 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000418092861 228029066 /nfs/dbraw/zinc/02/90/66/228029066.db2.gz AUXWEXMLIQRWHB-MGPQQGTHSA-N 2 0 296.459 1.404 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CCF ZINC001666574362 1173154921 /nfs/dbraw/zinc/15/49/21/1173154921.db2.gz XBXVPCRDBJPFDT-KGLIPLIRSA-N 2 0 287.423 1.418 10 0 CDAERP CCC[NH2+]C[C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001666621421 1173162406 /nfs/dbraw/zinc/16/24/06/1173162406.db2.gz YHNDFDMTNDBWAJ-OLZOCXBDSA-N 2 0 255.406 1.080 10 0 CDAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655446852 423864247 /nfs/dbraw/zinc/86/42/47/423864247.db2.gz CPAPYLHEQCLMDR-GOEBONIOSA-N 2 0 297.362 1.596 10 0 CDAERP [NH3+]C[C@H]1C[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)CC12CCOCC2 ZINC000662273306 423834260 /nfs/dbraw/zinc/83/42/60/423834260.db2.gz LKZZDXIDEIQIBN-XGUBFFRZSA-N 2 0 264.413 1.720 10 0 CDAERP Cc1nocc1C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000662274855 423837388 /nfs/dbraw/zinc/83/73/88/423837388.db2.gz XWCSVVDEZKSSKL-KGLIPLIRSA-N 2 0 265.357 1.311 10 0 CDAERP C[C@@H]1CCC[C@H](CCNC(=O)[C@@H](N)CC[NH+](C)C)C1 ZINC000653089965 423918710 /nfs/dbraw/zinc/91/87/10/423918710.db2.gz ZZBJJODORLVHSF-MCIONIFRSA-N 2 0 269.433 1.598 10 0 CDAERP C[NH+](C)CCC[C@@H]1C[N@H+](CC[C@H]2CCCCO2)CCO1 ZINC000662324531 423959441 /nfs/dbraw/zinc/95/94/41/423959441.db2.gz XOAFKERURCTFLP-HZPDHXFCSA-N 2 0 284.444 1.988 10 0 CDAERP C[NH+](C)CCCCC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655246515 424080723 /nfs/dbraw/zinc/08/07/23/424080723.db2.gz KBDGYKQBNOKGRI-BETUJISGSA-N 2 0 255.406 1.175 10 0 CDAERP CC[C@H]1CN(C(=O)NCCC[N@H+](C)CC(C)C)CC[C@@H]1[NH3+] ZINC000652224594 424084784 /nfs/dbraw/zinc/08/47/84/424084784.db2.gz CHSFEGBSFPWRPI-GJZGRUSLSA-N 2 0 298.475 1.733 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000652207398 424031861 /nfs/dbraw/zinc/03/18/61/424031861.db2.gz JNNDQBGYAZLHJK-LSDHHAIUSA-N 2 0 298.475 1.781 10 0 CDAERP CN(C)c1cc[nH+]cc1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655245557 424057499 /nfs/dbraw/zinc/05/74/99/424057499.db2.gz OLCXGDYWPAKNEZ-TXEJJXNPSA-N 2 0 276.384 1.218 10 0 CDAERP [NH3+]C1(CNC(=O)[C@@H]2CCC[NH2+]CC2)CCCCCC1 ZINC000653044861 424158356 /nfs/dbraw/zinc/15/83/56/424158356.db2.gz GPRXGRAQQAKFPP-CYBMUJFWSA-N 2 0 267.417 1.544 10 0 CDAERP [NH3+]C[C@@H](C(=O)NCCC1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000653272171 424200242 /nfs/dbraw/zinc/20/02/42/424200242.db2.gz ATSKJHNXCRPXSQ-OAHLLOKOSA-N 2 0 293.386 1.374 10 0 CDAERP O=C([C@H]1CC[C@@H](C2CC2)[NH2+]1)N1CCC([NH2+]CC2CC2)CC1 ZINC000653053764 424176199 /nfs/dbraw/zinc/17/61/99/424176199.db2.gz IJZJRMXJRDCDLE-JKSUJKDBSA-N 2 0 291.439 1.508 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC2([NH3+])CCCC2)[C@H](C)C1 ZINC000659572975 424239829 /nfs/dbraw/zinc/23/98/29/424239829.db2.gz JLDTZGYHYFTNCC-ZIAGYGMSSA-N 2 0 296.459 1.630 10 0 CDAERP NC(=O)[C@H]1CCCCN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652336808 424253519 /nfs/dbraw/zinc/25/35/19/424253519.db2.gz CPZMGSBLSHPMBB-OAHLLOKOSA-N 2 0 273.380 1.172 10 0 CDAERP CCO[C@@H]1C[N@H+](CCOc2c(C)cccc2C)C[C@H]1C[NH3+] ZINC000652356619 424302622 /nfs/dbraw/zinc/30/26/22/424302622.db2.gz XVKJHQFQKBMRLR-HZPDHXFCSA-N 2 0 292.423 1.978 10 0 CDAERP CCC1(CC)C[N@H+](CCCn2ccnc2)CC[S@@]1=O ZINC000185280004 270256840 /nfs/dbraw/zinc/25/68/40/270256840.db2.gz DVTLUSAVNGUJGH-IBGZPJMESA-N 2 0 283.441 1.896 10 0 CDAERP COCCOCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652362374 424313985 /nfs/dbraw/zinc/31/39/85/424313985.db2.gz FQYIHHUVZWCQKR-KFWWJZLASA-N 2 0 286.416 1.010 10 0 CDAERP [NH3+]CC12CCC(CC1)CN2C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000518993972 265288716 /nfs/dbraw/zinc/28/87/16/265288716.db2.gz WTAIFOZQWYWBGN-UGWHAMFMSA-N 2 0 273.380 1.416 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)[C@@H]([NH3+])CC(F)F ZINC000664719464 424324691 /nfs/dbraw/zinc/32/46/91/424324691.db2.gz TUBDXSJXLDTRQO-VIFPVBQESA-N 2 0 265.348 1.206 10 0 CDAERP C[NH2+][C@@H](C)C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000309717859 424343684 /nfs/dbraw/zinc/34/36/84/424343684.db2.gz LIVARAKFGGHUGD-OLZOCXBDSA-N 2 0 263.385 1.231 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000653140608 424359794 /nfs/dbraw/zinc/35/97/94/424359794.db2.gz IAKVHOOWSJGPQX-QGZVFWFLSA-N 2 0 287.407 1.404 10 0 CDAERP C[C@H]([NH2+]C1CCN([C@H]2CCOC2)CC1)[C@@H]1CCCCO1 ZINC000655747922 424365429 /nfs/dbraw/zinc/36/54/29/424365429.db2.gz MDUASVVFKXCIEU-BPUTZDHNSA-N 2 0 282.428 1.787 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000049415215 424397786 /nfs/dbraw/zinc/39/77/86/424397786.db2.gz MFEGDXCGIYYBPH-ZIAGYGMSSA-N 2 0 282.432 1.110 10 0 CDAERP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655483170 424482782 /nfs/dbraw/zinc/48/27/82/424482782.db2.gz FJFBSDPULKCGBV-JZXOWHBKSA-N 2 0 299.418 1.461 10 0 CDAERP CCC[C@@](C)([NH3+])C(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655489408 424508116 /nfs/dbraw/zinc/50/81/16/424508116.db2.gz QMWVZYALMKDTOD-GUIRCDHDSA-N 2 0 285.432 1.118 10 0 CDAERP Cc1c(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cnn1C ZINC000397388551 270350087 /nfs/dbraw/zinc/35/00/87/270350087.db2.gz IUXOFVSAWLMBMP-LOWVWBTDSA-N 2 0 250.390 1.534 10 0 CDAERP COc1ccc(CC[NH2+][C@H](C)C[C@H]2CCC[NH2+]2)cn1 ZINC000530243356 271180424 /nfs/dbraw/zinc/18/04/24/271180424.db2.gz HQHHQYPMEFRRCF-TZMCWYRMSA-N 2 0 263.385 1.753 10 0 CDAERP COC[C@H](C)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530247968 271183097 /nfs/dbraw/zinc/18/30/97/271183097.db2.gz FLSIICWXACOTKW-HIFRSBDPSA-N 2 0 270.417 1.359 10 0 CDAERP CC(C)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001668112809 1173370345 /nfs/dbraw/zinc/37/03/45/1173370345.db2.gz MGYFARQZDFWUMZ-KGLIPLIRSA-N 2 0 269.433 1.611 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](C[C@@H]2COCCO2)CC1 ZINC000336802504 276095398 /nfs/dbraw/zinc/09/53/98/276095398.db2.gz UWBSUUSJJSNWJY-OAHLLOKOSA-N 2 0 270.417 1.456 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000232944204 276106928 /nfs/dbraw/zinc/10/69/28/276106928.db2.gz WYXSVHIHKDDZLV-YPMHNXCESA-N 2 0 265.401 1.118 10 0 CDAERP CCC[NH2+]CC[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001668214905 1173383018 /nfs/dbraw/zinc/38/30/18/1173383018.db2.gz ROSBPCIBLOSCSF-ZDUSSCGKSA-N 2 0 271.449 1.859 10 0 CDAERP CC(C)[C@](C)(O)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000185007280 277986474 /nfs/dbraw/zinc/98/64/74/277986474.db2.gz CIBCQGCPSHDWRA-OAHLLOKOSA-N 2 0 254.418 1.954 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000232805226 278220608 /nfs/dbraw/zinc/22/06/08/278220608.db2.gz XSGNDMLFVQKACL-CQSZACIVSA-N 2 0 279.428 1.508 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000232823641 278220929 /nfs/dbraw/zinc/22/09/29/278220929.db2.gz WSAOHRGQPYZDQE-HZSPNIEDSA-N 2 0 279.428 1.508 10 0 CDAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC1CC[NH2+]CC1 ZINC000261550219 278242180 /nfs/dbraw/zinc/24/21/80/278242180.db2.gz PJYYVVKKUBLNCN-AWEZNQCLSA-N 2 0 261.413 1.849 10 0 CDAERP CC1CC[NH+](CCN2CC[C@H](C[NH+](C)C)C2)CC1 ZINC000153924741 278542253 /nfs/dbraw/zinc/54/22/53/278542253.db2.gz UPRXCYMYMHNNNL-OAHLLOKOSA-N 2 0 253.434 1.602 10 0 CDAERP CC[NH+](CC)[C@H](C)CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166087592 279160994 /nfs/dbraw/zinc/16/09/94/279160994.db2.gz YXKQDXXLALQNRO-RBSFLKMASA-N 2 0 253.434 1.933 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415122070 279178917 /nfs/dbraw/zinc/17/89/17/279178917.db2.gz JKUFOTMCVUJGFG-OWCLPIDISA-N 2 0 283.460 1.578 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)N2C[C@H]3CCC[NH+]3C[C@@H]2C)C1 ZINC000246956263 279320356 /nfs/dbraw/zinc/32/03/56/279320356.db2.gz DGHITCXRZABUTL-SOUVJXGZSA-N 2 0 294.443 1.349 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CC[C@@H]2SC)CC1 ZINC000425353000 279370283 /nfs/dbraw/zinc/37/02/83/279370283.db2.gz IMQPSNDXNNZAAP-RDBSUJKOSA-N 2 0 271.474 1.496 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)N(C)[C@@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000120354165 279382674 /nfs/dbraw/zinc/38/26/74/279382674.db2.gz BVYVOOWYHZYLMJ-SOUVJXGZSA-N 2 0 296.459 1.452 10 0 CDAERP CC[C@](C)(O)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000162115675 281289606 /nfs/dbraw/zinc/28/96/06/281289606.db2.gz CKEXVKWQHUPSTI-HNNXBMFYSA-N 2 0 271.449 1.105 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000418602379 288321269 /nfs/dbraw/zinc/32/12/69/288321269.db2.gz VNHXSIMFTYTWAN-QPSCCSFWSA-N 2 0 294.443 1.110 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000036192194 282050245 /nfs/dbraw/zinc/05/02/45/282050245.db2.gz LYWGCBATCCIEGM-SNPRPXQTSA-N 2 0 279.428 1.460 10 0 CDAERP C[C@@]1(CN2CCC[C@@H]([NH+]3CCCC3)C2)CC[NH2+]C1 ZINC000261969986 289164174 /nfs/dbraw/zinc/16/41/74/289164174.db2.gz IDJBSCLSQVDBPQ-HUUCEWRRSA-N 2 0 251.418 1.546 10 0 CDAERP C[C@H](C(=O)N1CC[NH+]2CCC[C@@H]2C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245202839 289287830 /nfs/dbraw/zinc/28/78/30/289287830.db2.gz WHWIHCGSNFUERY-LXTVHRRPSA-N 2 0 279.428 1.554 10 0 CDAERP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000091395565 289294904 /nfs/dbraw/zinc/29/49/04/289294904.db2.gz JCKQUNTVDYCWAJ-RWMBFGLXSA-N 2 0 253.390 1.057 10 0 CDAERP C[NH+](C)[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)C1CC1 ZINC000353455145 289364842 /nfs/dbraw/zinc/36/48/42/289364842.db2.gz PGVBTEAGACRKDX-LVQVYYBASA-N 2 0 265.445 1.789 10 0 CDAERP C[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH2+]C2)[C@H]2CCC[C@H]21 ZINC000423214969 290219756 /nfs/dbraw/zinc/21/97/56/290219756.db2.gz PXDNYEOYYVOAOJ-APIJFGDWSA-N 2 0 251.418 1.448 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NCC[NH+]2CCC(C)CC2)C1 ZINC000561144601 293054054 /nfs/dbraw/zinc/05/40/54/293054054.db2.gz JFXZMLDCVMVILR-AWEZNQCLSA-N 2 0 267.417 1.176 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000561199290 293062452 /nfs/dbraw/zinc/06/24/52/293062452.db2.gz YKIMPHOVMIXJLM-RDBSUJKOSA-N 2 0 296.459 1.404 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)NCC2CC[NH2+]CC2)cc1 ZINC000561206629 293062612 /nfs/dbraw/zinc/06/26/12/293062612.db2.gz AHFCRTNLRUWZCC-LBPRGKRZSA-N 2 0 290.411 1.505 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423525340 293095500 /nfs/dbraw/zinc/09/55/00/293095500.db2.gz KKEQJGAWLURRIE-IKXAHOJESA-N 3 0 295.471 1.484 10 0 CDAERP CN1CCC([N@H+](CCO)Cc2cc3cccnc3o2)CC1 ZINC000562647516 293164879 /nfs/dbraw/zinc/16/48/79/293164879.db2.gz DNUCCNSNTBVCMB-UHFFFAOYSA-N 2 0 289.379 1.716 10 0 CDAERP CC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@H](O)C(F)F ZINC000562675657 293171883 /nfs/dbraw/zinc/17/18/83/293171883.db2.gz RQXDAIPFHCFBNP-OLZOCXBDSA-N 2 0 276.371 1.855 10 0 CDAERP [NH3+][C@H](C[NH2+]Cc1cc(-n2ccnc2)cs1)C1CC1 ZINC000562744137 293189600 /nfs/dbraw/zinc/18/96/00/293189600.db2.gz RBZZCAMTAZNGGF-CYBMUJFWSA-N 3 0 262.382 1.761 10 0 CDAERP C[C@H]1C[C@H](N(C)C(=O)CCCC[NH+](C)C)CC[N@@H+]1C ZINC000568820981 294104664 /nfs/dbraw/zinc/10/46/64/294104664.db2.gz VSEJDZUMJZNAJH-UONOGXRCSA-N 2 0 269.433 1.659 10 0 CDAERP CO[C@H](C)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182365421 294272601 /nfs/dbraw/zinc/27/26/01/294272601.db2.gz VTUIJSDOJVYPDU-JZWPEALZSA-N 2 0 281.444 1.264 10 0 CDAERP CC[C@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000571528985 294453738 /nfs/dbraw/zinc/45/37/38/294453738.db2.gz QQDCRDGTZFVNKV-IRXDYDNUSA-N 2 0 291.439 1.336 10 0 CDAERP C[C@H]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C[N@@H+]1C1CC1 ZINC000574491582 295007449 /nfs/dbraw/zinc/00/74/49/295007449.db2.gz KPQBVSAQNGAUNK-XDQVBPFNSA-N 2 0 279.428 1.458 10 0 CDAERP CC(C)[C@H](C(=O)N1C[C@H]([NH3+])Cc2ccccc21)[C@@H](C)[NH3+] ZINC000574512046 295010364 /nfs/dbraw/zinc/01/03/64/295010364.db2.gz HTONWTMPGRFTTM-KYOSRNDESA-N 2 0 275.396 1.522 10 0 CDAERP C[C@H]1CCC[C@](CNC(=O)C2([NH3+])CCOCC2)([NH+](C)C)C1 ZINC000132224330 299908179 /nfs/dbraw/zinc/90/81/79/299908179.db2.gz FFVJNMIJHHUUNS-ZFWWWQNUSA-N 2 0 297.443 1.121 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000371232273 295306758 /nfs/dbraw/zinc/30/67/58/295306758.db2.gz RNQIGWFGWZLLHK-IGQOVBAYSA-N 2 0 265.401 1.104 10 0 CDAERP [NH3+][C@H]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000085369327 295338776 /nfs/dbraw/zinc/33/87/76/295338776.db2.gz FEWCJAQIIVSGDM-MJBXVCDLSA-N 2 0 265.401 1.201 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000263228944 297094991 /nfs/dbraw/zinc/09/49/91/297094991.db2.gz NCXYOPIZXAMINT-IXYNUQLISA-N 2 0 279.428 1.589 10 0 CDAERP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CC1CC[NH+](C)CC1 ZINC000335733526 300216506 /nfs/dbraw/zinc/21/65/06/300216506.db2.gz PQQLXCFCRPJHSP-ZFWWWQNUSA-N 2 0 281.444 1.517 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+]CCC(F)(F)F ZINC001669708265 1173589170 /nfs/dbraw/zinc/58/91/70/1173589170.db2.gz YZUMTFCZBARYEJ-JTQLQIEISA-N 2 0 283.338 1.375 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000563809806 316374789 /nfs/dbraw/zinc/37/47/89/316374789.db2.gz AGOZGZVHEVIACS-ZIAGYGMSSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCc2cncn2C1 ZINC000576403055 317132608 /nfs/dbraw/zinc/13/26/08/317132608.db2.gz PLQLJVNFCHYRLQ-KBPBESRZSA-N 2 0 290.411 1.436 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000576763096 317203205 /nfs/dbraw/zinc/20/32/05/317203205.db2.gz PBTWCXAZWJFFGI-KGLIPLIRSA-N 2 0 273.380 1.154 10 0 CDAERP CN(CCC[N@H+](C)CC1CC1)C(=O)C[NH+]1CCCC1 ZINC001673486483 1173863051 /nfs/dbraw/zinc/86/30/51/1173863051.db2.gz IVDFLLMEJBAGBR-UHFFFAOYSA-N 2 0 267.417 1.273 10 0 CDAERP CC[NH+]1CCC(CC[NH2+][C@H](C)CS(C)(=O)=O)CC1 ZINC000183031513 323315169 /nfs/dbraw/zinc/31/51/69/323315169.db2.gz AWDSQEVAPKYNBZ-GFCCVEGCSA-N 2 0 276.446 1.131 10 0 CDAERP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(C)CCC[NH+](C)C ZINC000185605616 323392694 /nfs/dbraw/zinc/39/26/94/323392694.db2.gz NTMWCEKJHUFSMG-HUUCEWRRSA-N 2 0 298.475 1.700 10 0 CDAERP C[C@H](NC(=O)N(C)CCC[NH+](C)C)C(C)(C)C[NH+](C)C ZINC000186416549 323408287 /nfs/dbraw/zinc/40/82/87/323408287.db2.gz KTMICTWDMOREDN-ZDUSSCGKSA-N 2 0 286.464 1.556 10 0 CDAERP C[C@@H]1CN(C(=O)CC[C@H]2CCCC[N@@H+]2C)C[C@H](C)[NH2+]1 ZINC000579834849 324295061 /nfs/dbraw/zinc/29/50/61/324295061.db2.gz XOAGOTZKRAKHLL-HZSPNIEDSA-N 2 0 267.417 1.460 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000579856542 324303790 /nfs/dbraw/zinc/30/37/90/324303790.db2.gz PKOJSCRADOYNLO-QWHCGFSZSA-N 2 0 255.406 1.175 10 0 CDAERP [NH3+]C1(CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CCCCC1 ZINC000580704436 324536360 /nfs/dbraw/zinc/53/63/60/324536360.db2.gz WENLSCDZSJQKOY-OKILXGFUSA-N 2 0 294.443 1.289 10 0 CDAERP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000582842691 325054879 /nfs/dbraw/zinc/05/48/79/325054879.db2.gz IVTRFHKYOUBMNY-FZMZJTMJSA-N 2 0 293.386 1.502 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000250529606 1159262484 /nfs/dbraw/zinc/26/24/84/1159262484.db2.gz WNAWGIBTNPCKRY-MGPQQGTHSA-N 2 0 267.417 1.350 10 0 CDAERP CC(C)[N@H+](C)CCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001731271217 1159287401 /nfs/dbraw/zinc/28/74/01/1159287401.db2.gz KVJQSMAZOPZHMJ-LSDHHAIUSA-N 2 0 281.444 1.850 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)CC[NH2+]CC)C1 ZINC001699129399 1159310875 /nfs/dbraw/zinc/31/08/75/1159310875.db2.gz FYWQSUGHLRENOQ-ZIAGYGMSSA-N 2 0 269.433 1.613 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)C[NH2+]C/C=C\Cl)[NH+](C)C ZINC001482113481 1159982664 /nfs/dbraw/zinc/98/26/64/1159982664.db2.gz NWEFLMIUVYCESW-UXFRKABBSA-N 2 0 275.824 1.421 10 0 CDAERP CCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001482355165 1160171048 /nfs/dbraw/zinc/17/10/48/1160171048.db2.gz DAJOEJKIEUKPSI-ZIAGYGMSSA-N 2 0 271.449 1.809 10 0 CDAERP C[C@H]([NH3+])CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000668813899 482346681 /nfs/dbraw/zinc/34/66/81/482346681.db2.gz BXSGZTQZVXEYGO-ZDUSSCGKSA-N 2 0 290.411 1.429 10 0 CDAERP CC(C)[NH2+]CC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000040809216 482349508 /nfs/dbraw/zinc/34/95/08/482349508.db2.gz YKTUTZLCYLSXPI-CQSZACIVSA-N 2 0 263.385 1.404 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]C/C=C/Cl ZINC001732452011 1160580023 /nfs/dbraw/zinc/58/00/23/1160580023.db2.gz DEVXHJPATHUECY-SYTKJHMZSA-N 2 0 275.824 1.517 10 0 CDAERP C[NH+](C)C1(CNC(=O)NC/C=C\C[NH3+])CCCCCC1 ZINC000668715823 482506262 /nfs/dbraw/zinc/50/62/62/482506262.db2.gz XRVOXRNFFDIREK-FPLPWBNLSA-N 2 0 282.432 1.455 10 0 CDAERP CC(C)[NH+]1CCC([NH2+]CC2CCC(O)CC2)CC1 ZINC000227645252 482522221 /nfs/dbraw/zinc/52/22/21/482522221.db2.gz DUAPGWSXRMUUBY-UHFFFAOYSA-N 2 0 254.418 2.000 10 0 CDAERP C[C@@H](O)C1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000401058387 482530203 /nfs/dbraw/zinc/53/02/03/482530203.db2.gz NQUJGPRRSWYJJM-CYBMUJFWSA-N 2 0 254.418 1.859 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000164987993 482558569 /nfs/dbraw/zinc/55/85/69/482558569.db2.gz QVCRAZLQIQTORV-UPJWGTAASA-N 2 0 253.390 1.104 10 0 CDAERP CCc1ccccc1[C@@H]([NH3+])CNC(=O)CC1([NH3+])CCC1 ZINC000669521032 482567316 /nfs/dbraw/zinc/56/73/16/482567316.db2.gz CNELARFBUKQRQD-AWEZNQCLSA-N 2 0 275.396 1.637 10 0 CDAERP [NH3+][C@H]1CC[C@@H](C(=O)NCC[NH+]2CCCCCC2)C1 ZINC000091544688 482571015 /nfs/dbraw/zinc/57/10/15/482571015.db2.gz WKDIWNCPEIUSBZ-OLZOCXBDSA-N 2 0 253.390 1.106 10 0 CDAERP [NH3+]CC1(CC(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659364278 482652764 /nfs/dbraw/zinc/65/27/64/482652764.db2.gz LIRBEUTXWONSBA-CQSZACIVSA-N 2 0 289.379 1.415 10 0 CDAERP C[C@H](NC(=O)NC/C=C\C[NH3+])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000669556026 482675028 /nfs/dbraw/zinc/67/50/28/482675028.db2.gz VHMPJORCGFALQR-KUHFFWNOSA-N 2 0 294.443 1.454 10 0 CDAERP C[C@H]([NH2+]C[C@H](O)CN(C)Cc1ccccc1)[C@@H]1CCOC1 ZINC000681220848 482748807 /nfs/dbraw/zinc/74/88/07/482748807.db2.gz JEEIYANOCULTLL-UAGQMJEPSA-N 2 0 292.423 1.494 10 0 CDAERP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)N2CC[NH+](C)CC2)C1 ZINC000684377698 482781153 /nfs/dbraw/zinc/78/11/53/482781153.db2.gz VDVNQNVLMWDYQW-RBSFLKMASA-N 2 0 269.433 1.170 10 0 CDAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCCC1CC[NH2+]CC1 ZINC000094462095 482789747 /nfs/dbraw/zinc/78/97/47/482789747.db2.gz HKDZLBCVSRYUSC-GOEBONIOSA-N 2 0 265.445 1.935 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000136431553 482790499 /nfs/dbraw/zinc/79/04/99/482790499.db2.gz SJNGKBUYDUKZOE-CQSZACIVSA-N 2 0 269.433 1.598 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000228492798 482854374 /nfs/dbraw/zinc/85/43/74/482854374.db2.gz OKCRHQUENPNGEN-MELADBBJSA-N 2 0 267.417 1.445 10 0 CDAERP O=C1CC[C@@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)N1 ZINC000328581932 482898191 /nfs/dbraw/zinc/89/81/91/482898191.db2.gz MNZVEOQKLHZGAP-UMSGYPCISA-N 2 0 251.374 1.616 10 0 CDAERP C[C@H](C[NH2+][C@H]1CCCSCC1)CN1CC[NH+](C)CC1 ZINC000657868627 482906435 /nfs/dbraw/zinc/90/64/35/482906435.db2.gz CEWTUXQSUFRVTR-CABCVRRESA-N 2 0 285.501 1.745 10 0 CDAERP Fc1cccn2cc(C[NH2+]CC[C@@H]3CCC[NH2+]C3)nc12 ZINC000666792100 482920664 /nfs/dbraw/zinc/92/06/64/482920664.db2.gz HHUXAJFNMBMPAA-LBPRGKRZSA-N 2 0 276.359 1.953 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000233974846 482993634 /nfs/dbraw/zinc/99/36/34/482993634.db2.gz OWARCTWIDSYRHI-CQSZACIVSA-N 2 0 281.444 1.613 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N(C)CCC[NH3+])CC1 ZINC000669433306 483093330 /nfs/dbraw/zinc/09/33/30/483093330.db2.gz PTHWPEDHYVFPPU-UHFFFAOYSA-N 2 0 270.421 1.099 10 0 CDAERP C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)C[C@H](O)C1CC1 ZINC000668167143 483099185 /nfs/dbraw/zinc/09/91/85/483099185.db2.gz UULBEUSQSVAVGW-HNNXBMFYSA-N 2 0 272.352 1.470 10 0 CDAERP C[NH+](C)C1(C(=O)NCC[N@@H+](C)C2CCCCC2)CC1 ZINC000667299211 483201487 /nfs/dbraw/zinc/20/14/87/483201487.db2.gz HLEBGNNIIGDAFR-UHFFFAOYSA-N 2 0 267.417 1.461 10 0 CDAERP C[N@H+](CCCO)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000669621500 483237333 /nfs/dbraw/zinc/23/73/33/483237333.db2.gz GYZRRKZDJXYXOY-UHFFFAOYSA-N 2 0 292.423 1.975 10 0 CDAERP C[NH+](C)CCOCC[NH2+]Cc1cn2cccc(F)c2n1 ZINC000682615414 483308623 /nfs/dbraw/zinc/30/86/23/483308623.db2.gz FQFZNBNCDRDIOH-UHFFFAOYSA-N 2 0 280.347 1.141 10 0 CDAERP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000675554498 483330432 /nfs/dbraw/zinc/33/04/32/483330432.db2.gz ZQXAXOUKSOJECO-SNPRPXQTSA-N 2 0 279.428 1.317 10 0 CDAERP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]C2CSC2)cc1 ZINC000679625568 483397606 /nfs/dbraw/zinc/39/76/06/483397606.db2.gz FRFHOVFPEQEFJO-UHFFFAOYSA-N 2 0 293.436 1.183 10 0 CDAERP C[NH2+]Cc1ccc(NC(=O)N[C@H]2CCC[N@H+](C)C2)cc1 ZINC000667843243 483457718 /nfs/dbraw/zinc/45/77/18/483457718.db2.gz QELBJHQXYDGJPL-AWEZNQCLSA-N 2 0 276.384 1.622 10 0 CDAERP CC(C)C[NH+]1CCN([C@@]2(C[NH3+])CCCSC2)CC1 ZINC000061590320 519728046 /nfs/dbraw/zinc/72/80/46/519728046.db2.gz CYAMDIRUTGOSMK-CQSZACIVSA-N 2 0 271.474 1.485 10 0 CDAERP CC(C)C[NH+]1CCN(c2ccc(Cl)c(C[NH3+])n2)CC1 ZINC000055082613 519728631 /nfs/dbraw/zinc/72/86/31/519728631.db2.gz NTZSNXDNOYAPJH-UHFFFAOYSA-N 2 0 282.819 1.972 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CC[C@H](COCC[NH+](C)C)O1 ZINC000052669881 519745249 /nfs/dbraw/zinc/74/52/49/519745249.db2.gz WPHNEDGTDJGYAN-UONOGXRCSA-N 2 0 258.406 1.358 10 0 CDAERP CCC[NH+]1CCN(C[C@@H](C)C[NH2+]CC(C)C)CC1 ZINC000052421811 519858535 /nfs/dbraw/zinc/85/85/35/519858535.db2.gz CKLITMUIRGAHGK-HNNXBMFYSA-N 2 0 255.450 1.896 10 0 CDAERP CCC[NH2+]CC1(C[N@@H+]2CCCC[C@@H]2CO)CCOCC1 ZINC000052183581 519909417 /nfs/dbraw/zinc/90/94/17/519909417.db2.gz FSYGQJRHWZXCIW-OAHLLOKOSA-N 2 0 284.444 1.630 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)N(CC[NH+](C)C)CC(C)C ZINC000061265998 519932696 /nfs/dbraw/zinc/93/26/96/519932696.db2.gz KTEBKLQYHWNIOD-CYBMUJFWSA-N 2 0 257.422 1.278 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@@H](C[N@H+](CCC)CCN(C)C)O1 ZINC000052544262 519936991 /nfs/dbraw/zinc/93/69/91/519936991.db2.gz CMMJECBNQCOHMR-CVEARBPZSA-N 2 0 285.476 1.807 10 0 CDAERP CCC[NH2+]Cc1cn(CC[N@H+](C)[C@@H](C)CC)nn1 ZINC000052444172 519961703 /nfs/dbraw/zinc/96/17/03/519961703.db2.gz KYJAMYFEHKEBRE-LBPRGKRZSA-N 2 0 253.394 1.508 10 0 CDAERP CCC[NH2+][C@](C)(C[C@H](C)[NH+]1CCC(OCC)CC1)C(N)=O ZINC000068628297 520115639 /nfs/dbraw/zinc/11/56/39/520115639.db2.gz MWYUEQDZPKOUQI-XJKSGUPXSA-N 2 0 299.459 1.510 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001716414366 1180194769 /nfs/dbraw/zinc/19/47/69/1180194769.db2.gz BKTHVXKPRWUFIR-CQSZACIVSA-N 2 0 281.444 1.779 10 0 CDAERP C[NH2+]Cc1cccc(C[N@H+](CCCOC)CCOC)c1 ZINC000052543226 522128522 /nfs/dbraw/zinc/12/85/22/522128522.db2.gz OXGUCBCJNCJKNO-UHFFFAOYSA-N 2 0 280.412 1.891 10 0 CDAERP CC[C@@H](C)[NH+]1CCN([C@]2(C[NH3+])CCCSC2)CC1 ZINC000061590315 522135245 /nfs/dbraw/zinc/13/52/45/522135245.db2.gz OUHIKTCMJRIQIG-KGLIPLIRSA-N 2 0 271.474 1.627 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001725517193 1182033493 /nfs/dbraw/zinc/03/34/93/1182033493.db2.gz GFIWSSCHDQKNMZ-ZIAGYGMSSA-N 2 0 267.417 1.341 10 0 CDAERP CC(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001410929384 1161964135 /nfs/dbraw/zinc/96/41/35/1161964135.db2.gz QCOMOSFEACTZTA-ARFHVFGLSA-N 2 0 295.471 1.811 10 0 CDAERP CC(C)=CC[N@@H+](C)[C@@H](C)CNC(=O)CCC[NH+](C)C ZINC001734052223 1183637473 /nfs/dbraw/zinc/63/74/73/1183637473.db2.gz VLOBFNDYZGWVGQ-AWEZNQCLSA-N 2 0 269.433 1.731 10 0 CDAERP CC[NH+]1CC([C@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001734116663 1183664966 /nfs/dbraw/zinc/66/49/66/1183664966.db2.gz HQWASCWNUBONSJ-JSGCOSHPSA-N 2 0 267.417 1.317 10 0 CDAERP CC(C)(C)[NH2+]CCCC[NH+]1CCN(C2CC2)CC1 ZINC000052371238 518755093 /nfs/dbraw/zinc/75/50/93/518755093.db2.gz YFLDQDDIGRBZRK-UHFFFAOYSA-N 2 0 253.434 1.935 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CC[C@H](C[N@@H+]2CCCN(C)CC2)O1 ZINC000052424369 519724065 /nfs/dbraw/zinc/72/40/65/519724065.db2.gz YQDOHPYMJFPHKH-LSDHHAIUSA-N 2 0 269.433 1.170 10 0 CDAERP CC(C)[NH2+]C[C@]1(CN2CC[C@H]([NH+](C)C)C2)CCOC1 ZINC000062969919 519726120 /nfs/dbraw/zinc/72/61/20/519726120.db2.gz ZKHDHBLEFPBWQD-GJZGRUSLSA-N 2 0 269.433 1.027 10 0 CDAERP CC(C)C[NH2+]CC1CC[NH+](CCCS(C)(=O)=O)CC1 ZINC000063015343 519743413 /nfs/dbraw/zinc/74/34/13/519743413.db2.gz TYZWCEXGJUOALL-UHFFFAOYSA-N 2 0 290.473 1.379 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CC[C@H](CN2CC[NH+](C(C)C)CC2)O1 ZINC000052480137 519745262 /nfs/dbraw/zinc/74/52/62/519745262.db2.gz MSUDYOCNUSBOLU-DLBZAZTESA-N 2 0 297.487 1.806 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1[C@@H](C)CCC[C@@H]1[NH3+] ZINC000055138088 519775497 /nfs/dbraw/zinc/77/54/97/519775497.db2.gz DMXSUHOXNUPJDR-ZQDZILKHSA-N 2 0 283.460 1.842 10 0 CDAERP CCC[NH+]1CCC(NC(=O)CC2CCC([NH3+])CC2)CC1 ZINC000055141530 519845018 /nfs/dbraw/zinc/84/50/18/519845018.db2.gz DQFJTMNJXJHXPZ-UHFFFAOYSA-N 2 0 281.444 1.885 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@]2(CCC)CC[NH2+]C2)CC1 ZINC000062899871 519846140 /nfs/dbraw/zinc/84/61/40/519846140.db2.gz MAWCPRHLUZJWNM-MRXNPFEDSA-N 2 0 281.444 1.757 10 0 CDAERP CCC1CCC(C[NH3+])(N2CCN(CC[NH+](C)C)CC2)CC1 ZINC000061643183 519850643 /nfs/dbraw/zinc/85/06/43/519850643.db2.gz YVVPCNQGEAYCEK-UHFFFAOYSA-N 2 0 296.503 1.463 10 0 CDAERP CCC[NH+]1CCN(C(=O)[C@@H]2[C@@H](C)CCC[C@@H]2[NH3+])CC1 ZINC000055124587 519856552 /nfs/dbraw/zinc/85/65/52/519856552.db2.gz IEAXZNXIPVREPS-MELADBBJSA-N 2 0 267.417 1.304 10 0 CDAERP CCC[NH+]1CCN(C[C@@H]2CC[C@@H](C[NH2+]C(C)(C)C)O2)CC1 ZINC000052422051 519858509 /nfs/dbraw/zinc/85/85/09/519858509.db2.gz UFDLTEZQEOHTKW-HOTGVXAUSA-N 2 0 297.487 1.950 10 0 CDAERP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCC(N)=O ZINC000054602148 519909710 /nfs/dbraw/zinc/90/97/10/519909710.db2.gz QQJOEGYSJXKCRG-YHWZYXNKSA-N 2 0 253.390 1.247 10 0 CDAERP CCC[NH2+]CC1CC[NH+](C[C@H](O)COCC)CC1 ZINC000069280288 519912170 /nfs/dbraw/zinc/91/21/70/519912170.db2.gz DYXXWKIYBIWINK-AWEZNQCLSA-N 2 0 258.406 1.095 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)[C@@H]2CCSC2)O1 ZINC000052453584 519924193 /nfs/dbraw/zinc/92/41/93/519924193.db2.gz PSHJIQRUZSVRQN-RDBSUJKOSA-N 2 0 272.458 1.971 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000061235856 519931118 /nfs/dbraw/zinc/93/11/18/519931118.db2.gz SJHPTDYYEIRHJC-CYBMUJFWSA-N 2 0 269.433 1.563 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)N1CC[NH+](CCC(C)C)CC1 ZINC000061265907 519934214 /nfs/dbraw/zinc/93/42/14/519934214.db2.gz OKNFQIPHBIRPCQ-CQSZACIVSA-N 2 0 269.433 1.422 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@H](C[N@H+](CC)[C@@H](C)COC)O1 ZINC000052505020 519952560 /nfs/dbraw/zinc/95/25/60/519952560.db2.gz XGEWYPJYTMSUIC-MELADBBJSA-N 2 0 258.406 1.500 10 0 CDAERP CC[NH2+]C[C@H](C)N1CC[NH+](Cc2ccccc2)CC1 ZINC000052417081 519970475 /nfs/dbraw/zinc/97/04/75/519970475.db2.gz XWPCLXTYQQKEOA-HNNXBMFYSA-N 2 0 261.413 1.802 10 0 CDAERP CC[NH2+]Cc1cccc(N2CCC[C@@H]2C[NH+](C)C)n1 ZINC000061654310 520004474 /nfs/dbraw/zinc/00/44/74/520004474.db2.gz JJLIVPVMFZGCKJ-CQSZACIVSA-N 2 0 262.401 1.722 10 0 CDAERP CCC[NH2+][C@@H](CN1CC[NH+](CCC)CC1)C1CC1 ZINC000069073475 520008237 /nfs/dbraw/zinc/00/82/37/520008237.db2.gz BMTRONUPMXYFQO-HNNXBMFYSA-N 2 0 253.434 1.792 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000061271841 520060726 /nfs/dbraw/zinc/06/07/26/520060726.db2.gz DTYWVYVEMAMNLO-HNNXBMFYSA-N 2 0 291.439 1.965 10 0 CDAERP CCCO[C@@H]1CCC[N@H+](Cc2cccnc2C(N)=[NH2+])C1 ZINC000061658241 520275529 /nfs/dbraw/zinc/27/55/29/520275529.db2.gz PCEWEDCVWZGSNL-CYBMUJFWSA-N 2 0 276.384 1.757 10 0 CDAERP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cnn(CCO)c1 ZINC000068690413 520630631 /nfs/dbraw/zinc/63/06/31/520630631.db2.gz OHFDKUUHPMIIOB-CQSZACIVSA-N 2 0 282.432 1.476 10 0 CDAERP CC[NH+](CC)CCNC(=O)[C@@H]1CCC[C@H]([NH3+])[C@@H]1C ZINC000055122978 520677978 /nfs/dbraw/zinc/67/79/78/520677978.db2.gz WPFZEPVKGJNZRP-UPJWGTAASA-N 2 0 255.406 1.208 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050951995 520730171 /nfs/dbraw/zinc/73/01/71/520730171.db2.gz MEQHJUGUYMEQFM-KBPBESRZSA-N 2 0 269.433 1.755 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(Cc2ccnc(C(N)=[NH2+])c2)C1 ZINC000068761965 520846778 /nfs/dbraw/zinc/84/67/78/520846778.db2.gz OFVOBGIKTWTFCS-CYBMUJFWSA-N 2 0 275.400 1.282 10 0 CDAERP CCC[N@H+](C)CCn1cc(C[NH2+]CC(C)C)nn1 ZINC000052444520 521484309 /nfs/dbraw/zinc/48/43/09/521484309.db2.gz XCWHDOJGJBYILF-UHFFFAOYSA-N 2 0 253.394 1.366 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000055087673 521555147 /nfs/dbraw/zinc/55/51/47/521555147.db2.gz UECNOVABZXRXGF-UONOGXRCSA-N 2 0 267.417 1.447 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)[C@H]2[C@H](C)CCC[C@@H]2[NH3+])CC1 ZINC000055129398 521556142 /nfs/dbraw/zinc/55/61/42/521556142.db2.gz YRLTVEYVCWBUPY-SNPRPXQTSA-N 2 0 281.444 1.693 10 0 CDAERP CC[NH+]1CCC(N(C)Cc2cccnc2C[NH3+])CC1 ZINC000061656843 521563497 /nfs/dbraw/zinc/56/34/97/521563497.db2.gz FSLIFUGZYGPGTD-UHFFFAOYSA-N 2 0 262.401 1.456 10 0 CDAERP CCC(CC)[C@H](CNC(=O)[C@]1(C)CCC[NH2+]C1)[NH+](C)C ZINC000062859293 521617100 /nfs/dbraw/zinc/61/71/00/521617100.db2.gz JQHANNLASVSARE-GOEBONIOSA-N 2 0 283.460 1.859 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000052499889 521620263 /nfs/dbraw/zinc/62/02/63/521620263.db2.gz MFFLDVVOERKBCD-OAHLLOKOSA-N 2 0 296.459 1.643 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000055089489 521620443 /nfs/dbraw/zinc/62/04/43/521620443.db2.gz NWHWBKMTQPWHSK-UPJWGTAASA-N 2 0 253.390 1.104 10 0 CDAERP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2conc2C)CC1 ZINC000339236814 521685721 /nfs/dbraw/zinc/68/57/21/521685721.db2.gz INQFNVLJARBCCC-CYBMUJFWSA-N 2 0 280.416 1.346 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H](C[NH3+])Cc1ccccc1 ZINC000061644083 521831206 /nfs/dbraw/zinc/83/12/06/521831206.db2.gz GPLFMCOKSVZSQU-HOTGVXAUSA-N 2 0 289.423 1.357 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1CC[NH2+]C1CCCCC1 ZINC000061655120 521868436 /nfs/dbraw/zinc/86/84/36/521868436.db2.gz WHKSQBFYWLQEIL-OAHLLOKOSA-N 2 0 253.434 1.935 10 0 CDAERP C[NH2+]C[C@H]1CCN(CCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000053011488 522091059 /nfs/dbraw/zinc/09/10/59/522091059.db2.gz MOTCSTXDBYPGEU-HUUCEWRRSA-N 2 0 253.434 1.792 10 0 CDAERP C[NH2+]Cc1cc(CN2CC[NH+](CC(C)C)CC2)on1 ZINC000055082676 522106131 /nfs/dbraw/zinc/10/61/31/522106131.db2.gz IJSJKIOQQZAJGC-UHFFFAOYSA-N 2 0 266.389 1.168 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(c2nnc(C)c(C)c2C(N)=[NH2+])CC1 ZINC000055067209 522136490 /nfs/dbraw/zinc/13/64/90/522136490.db2.gz RQDRFFZTGKTAST-SNVBAGLBSA-N 2 0 290.415 1.298 10 0 CDAERP CC[C@@H](C)NC(=O)CC[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]C)C2 ZINC000054629537 522143592 /nfs/dbraw/zinc/14/35/92/522143592.db2.gz XHVKHXLPGGVVSR-RLAWYHOSSA-N 2 0 267.417 1.506 10 0 CDAERP C[NH2+]Cc1nc(CN(CC[NH+](C)C)CC(C)C)cs1 ZINC000052503233 522152077 /nfs/dbraw/zinc/15/20/77/522152077.db2.gz QWKXQFZACYAPOW-UHFFFAOYSA-N 2 0 284.473 1.882 10 0 CDAERP C[NH2+][C@@H]1CCC[C@@H]1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000062970549 522388359 /nfs/dbraw/zinc/38/83/59/522388359.db2.gz GDEOPMQLSGDGFN-QLFBSQMISA-N 2 0 251.418 1.545 10 0 CDAERP C[NH2+][C@@](C)(CCCC[NH+]1Cc2ccccc2C1)C(N)=O ZINC000050912346 522406030 /nfs/dbraw/zinc/40/60/30/522406030.db2.gz YNGVGUWYDIOJOY-INIZCTEOSA-N 2 0 275.396 1.636 10 0 CDAERP CC[C@@H]([NH3+])[C@@H](N1CCN(CC(C)C)CC1)C(F)(F)F ZINC000055077524 522646889 /nfs/dbraw/zinc/64/68/89/522646889.db2.gz LNKOPCKTOOFTFT-VXGBXAGGSA-N 2 0 281.366 1.928 10 0 CDAERP CN1CCC[C@@H]([N@H+](C)CCC[C@@](C)(CO)[NH2+]C2CC2)C1 ZINC000070334758 522788395 /nfs/dbraw/zinc/78/83/95/522788395.db2.gz NYWMEWPXLBGLMO-CVEARBPZSA-N 2 0 283.460 1.296 10 0 CDAERP C[N@H+](Cc1ccsc1)CC1(C[NH3+])CCOCC1 ZINC000052181596 523484072 /nfs/dbraw/zinc/48/40/72/523484072.db2.gz ASRVHAFFTCHWNF-UHFFFAOYSA-N 2 0 254.399 1.935 10 0 CDAERP COCC[N@H+](Cc1ccc(C[NH3+])o1)[C@H](C)COC ZINC000052572339 523749349 /nfs/dbraw/zinc/74/93/49/523749349.db2.gz GZMYUWWUCHUMLE-LLVKDONJSA-N 2 0 256.346 1.222 10 0 CDAERP COCC[N@H+]([C@@H](C)CC[NH2+]C(C)C)[C@@H](C)COC ZINC000052572460 523779939 /nfs/dbraw/zinc/77/99/39/523779939.db2.gz WPWODESRCHAUQZ-KBPBESRZSA-N 2 0 260.422 1.746 10 0 CDAERP C[N@@H+]1CCCN(CC[NH2+]CC2CCCCC2)CC1 ZINC000049591405 523807534 /nfs/dbraw/zinc/80/75/34/523807534.db2.gz OVBZDPBFRJPTDX-UHFFFAOYSA-N 2 0 253.434 1.794 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)CC[NH2+]C(C)C)CC1 ZINC000055078397 523948267 /nfs/dbraw/zinc/94/82/67/523948267.db2.gz FGRGNXIXSZRWCS-ZDUSSCGKSA-N 2 0 255.406 1.317 10 0 CDAERP CC[C@H](C)[NH+]1CCN(Cc2cc(C[NH3+])no2)CC1 ZINC000055074226 523955095 /nfs/dbraw/zinc/95/50/95/523955095.db2.gz DEBDRDPKFFPSEZ-NSHDSACASA-N 2 0 252.362 1.049 10 0 CDAERP CC[C@H](C)[NH+]1CCN(c2nc(C)cc(C)c2C(N)=[NH2+])CC1 ZINC000055067217 523962233 /nfs/dbraw/zinc/96/22/33/523962233.db2.gz QSVIWIBZTGFCKP-ZDUSSCGKSA-N 2 0 289.427 1.903 10 0 CDAERP C[NH+](C)C1CCN(C[C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000053866833 524040537 /nfs/dbraw/zinc/04/05/37/524040537.db2.gz IGKMIUVQFVYOLG-HIFRSBDPSA-N 2 0 253.434 1.920 10 0 CDAERP C[NH+](C)CC(C)(C)CNC(=O)CCC1CCC([NH3+])CC1 ZINC000055125319 524045669 /nfs/dbraw/zinc/04/56/69/524045669.db2.gz OBCYJOBRKFHBMF-UHFFFAOYSA-N 2 0 283.460 1.988 10 0 CDAERP C[NH+](C)CC1CC[NH+](CCC[C@@H]2CCC[NH2+]2)CC1 ZINC000052764480 524049537 /nfs/dbraw/zinc/04/95/37/524049537.db2.gz OAOULZULINPTOG-HNNXBMFYSA-N 3 0 253.434 1.792 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1coc(C[NH3+])c1 ZINC000188074220 524110468 /nfs/dbraw/zinc/11/04/68/524110468.db2.gz ZQFNGQYPFYMOAZ-LLVKDONJSA-N 2 0 265.357 1.343 10 0 CDAERP C[C@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)NCCC[NH+]1CCCC1 ZINC000062073402 524144454 /nfs/dbraw/zinc/14/44/54/524144454.db2.gz RNJAPKSNXMRJSO-BFHYXJOUSA-N 2 0 267.417 1.352 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050951356 524154467 /nfs/dbraw/zinc/15/44/67/524154467.db2.gz MAFRSPHSGYSYLA-OLZOCXBDSA-N 2 0 255.406 1.365 10 0 CDAERP C[C@@H]1CCCC[C@H]1[NH2+]CCN1CCC[N@H+](C)CC1 ZINC000049591418 524172565 /nfs/dbraw/zinc/17/25/65/524172565.db2.gz JWSHTUPVMMSOFR-HUUCEWRRSA-N 2 0 253.434 1.792 10 0 CDAERP C[C@@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000055123279 524301349 /nfs/dbraw/zinc/30/13/49/524301349.db2.gz JEEVNJLTZQXQKX-MRVWCRGKSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@H](C[NH+]1CCCC1)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000049184799 524313401 /nfs/dbraw/zinc/31/34/01/524313401.db2.gz LAJYIPACBPUSCU-QPSCCSFWSA-N 2 0 279.428 1.508 10 0 CDAERP C[C@H](C[NH+]1CCCC1)NC(=O)c1cccc(C[NH3+])c1 ZINC000049149405 524317507 /nfs/dbraw/zinc/31/75/07/524317507.db2.gz WBZPTLCNIXQEFB-GFCCVEGCSA-N 2 0 261.369 1.359 10 0 CDAERP C[C@H]1CC[C@@H]([NH3+])C[C@@H]1C(=O)NCC(C)(C)C[NH+](C)C ZINC000055125307 524363274 /nfs/dbraw/zinc/36/32/74/524363274.db2.gz RPUZDFFEYSBIFC-XQQFMLRXSA-N 2 0 269.433 1.454 10 0 CDAERP C[C@@H](CC[NH+](C)C)[NH2+]C[C@@H](O)c1ccc2c(c1)OCCO2 ZINC000049557007 524475126 /nfs/dbraw/zinc/47/51/26/524475126.db2.gz FOCFTVGNGCGKIX-GXTWGEPZSA-N 2 0 294.395 1.421 10 0 CDAERP COc1ccccc1N1CC[NH+]([C@@H](C)CCC[NH3+])CC1 ZINC000052422930 524560097 /nfs/dbraw/zinc/56/00/97/524560097.db2.gz ZZOIYUWFUFNTHG-AWEZNQCLSA-N 2 0 277.412 1.945 10 0 CDAERP C[C@@H]1CC[C@@H]([NH3+])C[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000055138522 524601153 /nfs/dbraw/zinc/60/11/53/524601153.db2.gz XAKQBAUMZRYVLK-RQJABVFESA-N 2 0 267.417 1.208 10 0 CDAERP C[C@H](C[C@@](C)(CO)[NH2+]C1CC1)N1CCC[C@@H]1C[NH+](C)C ZINC000070335073 524630186 /nfs/dbraw/zinc/63/01/86/524630186.db2.gz XOTXPUVQIFDELE-BMFZPTHFSA-N 2 0 283.460 1.294 10 0 CDAERP C[C@H](C[C@@](C)([NH3+])C(=O)[O-])[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000068644121 524630353 /nfs/dbraw/zinc/63/03/53/524630353.db2.gz JNLGSKVXLMQCGF-CZUORRHYSA-N 2 0 297.443 1.375 10 0 CDAERP C[C@@H](CNC(=O)c1cccc(CC[NH3+])c1)C[NH+]1CCCC1 ZINC000062083468 524720480 /nfs/dbraw/zinc/72/04/80/524720480.db2.gz JHEMTTBCBXVULV-AWEZNQCLSA-N 2 0 289.423 1.650 10 0 CDAERP c1cn(CCC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cn1 ZINC000049328853 526531404 /nfs/dbraw/zinc/53/14/04/526531404.db2.gz WIJZKSFFDIELLZ-CABCVRRESA-N 2 0 262.401 1.737 10 0 CDAERP NC(=[NH2+])c1ccccc1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000062980650 526824372 /nfs/dbraw/zinc/82/43/72/526824372.db2.gz WBNFTFIBCQRKAM-AWEZNQCLSA-N 2 0 272.396 1.641 10 0 CDAERP Cc1nc(N(CC[NH+](C)C)CC(C)C)sc1C[NH3+] ZINC000054998595 526953515 /nfs/dbraw/zinc/95/35/15/526953515.db2.gz TXJWZKLCHBDMDK-UHFFFAOYSA-N 2 0 270.446 1.934 10 0 CDAERP [NH3+]CCN1CCC[N@H+](CCCOc2ccccc2)CC1 ZINC000061815636 527186888 /nfs/dbraw/zinc/18/68/88/527186888.db2.gz ZNBVUXRSTOKHNB-UHFFFAOYSA-N 2 0 277.412 1.422 10 0 CDAERP [NH3+]C[C@H]1CCC[C@@H](C(=O)NCCC[NH+]2CCCC2)C1 ZINC000062073461 527235210 /nfs/dbraw/zinc/23/52/10/527235210.db2.gz MUXVWHNVMOREGP-UONOGXRCSA-N 2 0 267.417 1.354 10 0 CDAERP [NH3+]C[C@H]1CC[C@H](C[N@H+](Cc2ccco2)C2CC2)O1 ZINC000052370875 527241023 /nfs/dbraw/zinc/24/10/23/527241023.db2.gz STGUKSOQRRNFLF-TZMCWYRMSA-N 2 0 250.342 1.750 10 0 CDAERP [NH3+]Cc1cc(C[N@H+](CCO)C2CCCCC2)ccn1 ZINC000068750158 527247575 /nfs/dbraw/zinc/24/75/75/527247575.db2.gz VTIHAUMRYQGQQD-UHFFFAOYSA-N 2 0 263.385 1.667 10 0 CDAERP [NH3+][C@@H](CN1CCC([NH+]2CCCCC2)CC1)C1CC1 ZINC000069074010 527331163 /nfs/dbraw/zinc/33/11/63/527331163.db2.gz CQZQTIKHDKHKJT-HNNXBMFYSA-N 2 0 251.418 1.674 10 0 CDAERP [NH3+][C@H]1CCC[C@H](CC(=O)N[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000055123571 527406148 /nfs/dbraw/zinc/40/61/48/527406148.db2.gz VFLBUQNXJBWKSX-FPMFFAJLSA-N 2 0 265.401 1.104 10 0 CDAERP CCC[NH2+]CCNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000417941564 528491166 /nfs/dbraw/zinc/49/11/66/528491166.db2.gz RXAHYNBBOREVES-UHFFFAOYSA-N 2 0 284.448 1.406 10 0 CDAERP CC[N@H+](CCNC(=O)N[C@@H](C)[C@@H](C)[NH3+])CCC(F)(F)F ZINC000418082381 528496198 /nfs/dbraw/zinc/49/61/98/528496198.db2.gz XLVVWPHICFUAIO-ZJUUUORDSA-N 2 0 298.353 1.296 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000262430393 535260492 /nfs/dbraw/zinc/26/04/92/535260492.db2.gz WJWIHDKXZBBNNT-KKUMJFAQSA-N 2 0 281.444 1.565 10 0 CDAERP CCC[C@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)[NH+](C)C ZINC000179659843 535578309 /nfs/dbraw/zinc/57/83/09/535578309.db2.gz PJUMAOVCIJUYCX-CHWSQXEVSA-N 2 0 253.390 1.023 10 0 CDAERP CCSCC[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000437790252 535685653 /nfs/dbraw/zinc/68/56/53/535685653.db2.gz YXOLUCJDNUOTND-UHFFFAOYSA-N 2 0 259.463 1.355 10 0 CDAERP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000178830660 535849383 /nfs/dbraw/zinc/84/93/83/535849383.db2.gz OPPDTYVQGUIQTL-GXFFZTMASA-N 2 0 264.373 1.455 10 0 CDAERP C[NH2+][C@@H]1CCCN(C(=O)NCc2ccc([C@H](C)[NH3+])cc2)C1 ZINC000418473294 536357612 /nfs/dbraw/zinc/35/76/12/536357612.db2.gz XMBNQJOJQJFOMV-SWLSCSKDSA-N 2 0 290.411 1.600 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCc1c(F)cccc1F ZINC000422698150 536594992 /nfs/dbraw/zinc/59/49/92/536594992.db2.gz XRUMAELQSGSHRO-LLVKDONJSA-N 2 0 272.339 1.851 10 0 CDAERP CC(C)(C)C[C@H]([NH3+])CNc1ccnn1C1C[NH2+]C1 ZINC000725258725 538453017 /nfs/dbraw/zinc/45/30/17/538453017.db2.gz YGMAGHKCKXVULM-JTQLQIEISA-N 2 0 251.378 1.203 10 0 CDAERP CC(C)=CC[NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001690176413 1175395809 /nfs/dbraw/zinc/39/58/09/1175395809.db2.gz QUJFTAXBAYVJNC-HNNXBMFYSA-N 2 0 291.439 1.533 10 0 CDAERP CCC[NH+]1CCC([NH2+]CCC[C@@H]2CCOC2=O)CC1 ZINC000872113562 620691129 /nfs/dbraw/zinc/69/11/29/620691129.db2.gz QHZDYIHWJHQJSR-CYBMUJFWSA-N 2 0 268.401 1.794 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@@H]1CCCCO1 ZINC000926122441 617424705 /nfs/dbraw/zinc/42/47/05/617424705.db2.gz ONDHFDOQHHEGNG-MBOZISHXSA-N 2 0 252.402 1.875 10 0 CDAERP CC1(C)[C@@H]([NH2+]CCCOC[C@H]2CCCO2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925521876 617433928 /nfs/dbraw/zinc/43/39/28/617433928.db2.gz WVXYUFVDYAGQNI-WCVJEAGWSA-N 2 0 296.455 1.938 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@H](O)COc2ccccc2)C1 ZINC000925532149 617464857 /nfs/dbraw/zinc/46/48/57/617464857.db2.gz DGOZVESGBDMTLU-KFWWJZLASA-N 2 0 292.423 1.922 10 0 CDAERP C[C@@H]1CC2(CC([NH2+]CCCN3CC[NH+](C)CC3)C2)CO1 ZINC000924579783 617543089 /nfs/dbraw/zinc/54/30/89/617543089.db2.gz ZMWOMIGCGCARKK-QQFBHYJXSA-N 2 0 281.444 1.171 10 0 CDAERP CC1(C)C[C@@H]([NH2+]C[C@@]2(O)CCSC2)C[C@@H]([NH3+])C1 ZINC000925623500 617570066 /nfs/dbraw/zinc/57/00/66/617570066.db2.gz SGGIWECCYIVLPW-MDZLAQPJSA-N 2 0 258.431 1.350 10 0 CDAERP CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925627146 617574171 /nfs/dbraw/zinc/57/41/71/617574171.db2.gz UCYDMUMCXZZBLR-XGFWRYKXSA-N 2 0 279.428 1.267 10 0 CDAERP CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)O1 ZINC000925627849 617576069 /nfs/dbraw/zinc/57/60/69/617576069.db2.gz AFUAUYHOHGBISA-RQJABVFESA-N 2 0 297.443 1.118 10 0 CDAERP COC(=O)N1CCC([C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000925645053 617588255 /nfs/dbraw/zinc/58/82/55/617588255.db2.gz OSZLYMYPYLHAFJ-YUTCNCBUSA-N 2 0 295.427 1.713 10 0 CDAERP C[N@@H+]1C[C@@H]2CN(CCCNC(=O)OC(C)(C)C)C[C@]2(C)C1 ZINC000933732144 617598259 /nfs/dbraw/zinc/59/82/59/617598259.db2.gz KHUBICBZGAMTPG-CJNGLKHVSA-N 2 0 297.443 1.785 10 0 CDAERP COC(=O)c1cc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)n(C)c1C ZINC000925770619 617633541 /nfs/dbraw/zinc/63/35/41/617633541.db2.gz XAIOXKSBYNKSRD-RYUDHWBXSA-N 2 0 279.384 1.480 10 0 CDAERP C[NH+](C)CCOCC[NH2+][C@H]1CCc2c1nccc2Cl ZINC000926255722 617643436 /nfs/dbraw/zinc/64/34/36/617643436.db2.gz SNEIAJNQQZYSDK-ZDUSSCGKSA-N 2 0 283.803 1.890 10 0 CDAERP C[C@@H]([NH2+]CC1CCC(S(C)(=O)=O)CC1)[C@@H]1CCC[NH2+]1 ZINC000925798609 617728125 /nfs/dbraw/zinc/72/81/25/617728125.db2.gz LXZJJXKMQOHBIA-RYSNWHEDSA-N 2 0 288.457 1.320 10 0 CDAERP COc1ccsc1[C@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925812974 617757625 /nfs/dbraw/zinc/75/76/25/617757625.db2.gz QMZHSVBKBDIRNL-NSHDSACASA-N 2 0 283.441 1.830 10 0 CDAERP CC1(C)CCCC[C@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925814672 617763503 /nfs/dbraw/zinc/76/35/03/617763503.db2.gz LAPUNRYELRTKQI-CQSZACIVSA-N 2 0 253.434 1.968 10 0 CDAERP CC1(C)C[C@@H]([NH2+]CCCCS(C)(=O)=O)C[C@@H]([NH3+])C1 ZINC000925706144 617789953 /nfs/dbraw/zinc/78/99/53/617789953.db2.gz MELDSYUARQMNRG-NEPJUHHUSA-N 2 0 276.446 1.307 10 0 CDAERP CC1(C)C[C@@H]([NH2+]C2CC(CC(N)=O)C2)C[C@@H]([NH3+])C1 ZINC000925824357 617801773 /nfs/dbraw/zinc/80/17/73/617801773.db2.gz SBMRQMHFDPNMTL-RSJDFQLWSA-N 2 0 253.390 1.136 10 0 CDAERP [NH3+]CCC[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccccc1 ZINC000925717695 617837495 /nfs/dbraw/zinc/83/74/95/617837495.db2.gz DCSSCGUDEBIUNV-OAHLLOKOSA-N 3 0 277.412 1.564 10 0 CDAERP C[C@H]1CC[C@@H]([NH2+]CCCCCN2CC[NH2+]CC2)C1 ZINC000925843301 617875807 /nfs/dbraw/zinc/87/58/07/617875807.db2.gz DRTUDUSHOOJEAO-LSDHHAIUSA-N 2 0 253.434 1.840 10 0 CDAERP O=C1O[C@@H](C[NH2+][C@@H]2CCC23CCC3)CC12CC[NH2+]CC2 ZINC000925850792 617887415 /nfs/dbraw/zinc/88/74/15/617887415.db2.gz QEPAVTLIYIHUBE-CHWSQXEVSA-N 2 0 278.396 1.594 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](O)c1ccccc1C ZINC000817889182 618483778 /nfs/dbraw/zinc/48/37/78/618483778.db2.gz NQMGHCJRCQVTTO-DZGCQCFKSA-N 2 0 266.385 1.372 10 0 CDAERP C[C@H]1[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[N@@H+]1C ZINC000928437946 619080192 /nfs/dbraw/zinc/08/01/92/619080192.db2.gz LRAYXMIXSMHXJR-GXTWGEPZSA-N 2 0 276.384 1.117 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N[C@H]2CCC[N@H+](C)C2)C1 ZINC000749562129 619309750 /nfs/dbraw/zinc/30/97/50/619309750.db2.gz GQHXANZCYITYIN-MELADBBJSA-N 2 0 282.432 1.253 10 0 CDAERP CC(C)[C@@H]1COCC[C@@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000925118939 619378456 /nfs/dbraw/zinc/37/84/56/619378456.db2.gz VOTUVTDHPMXPCV-KBPBESRZSA-N 2 0 270.417 1.094 10 0 CDAERP Cc1n[nH]cc1CN1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000895558353 619726370 /nfs/dbraw/zinc/72/63/70/619726370.db2.gz WRIRPZUHMXJIRL-LBPRGKRZSA-N 2 0 271.368 1.824 10 0 CDAERP C[NH+](C)CCCC[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902780422 625370306 /nfs/dbraw/zinc/37/03/06/625370306.db2.gz IUMQWHPHCGVJHK-BTFPBAQTSA-N 2 0 252.402 1.731 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCN2C(C)(C)C)C1 ZINC000895833652 619867325 /nfs/dbraw/zinc/86/73/25/619867325.db2.gz BUEXOHVFQKTYKA-VXGBXAGGSA-N 2 0 253.390 1.070 10 0 CDAERP C[C@@H]1CO[C@@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1 ZINC000896622374 620170674 /nfs/dbraw/zinc/17/06/74/620170674.db2.gz FLLVSVIDABOBNQ-LSDHHAIUSA-N 2 0 299.459 1.143 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@]1(C)CCCC[C@@H]1O ZINC000925214278 620560684 /nfs/dbraw/zinc/56/06/84/620560684.db2.gz YVYORZFNMSLXLI-YSEJDXQZSA-N 2 0 266.429 1.857 10 0 CDAERP CSC1(CNC(=[NH2+])N[C@@H]2C[C@@H]2C)CC[NH+](C)CC1 ZINC000864467038 620933842 /nfs/dbraw/zinc/93/38/42/620933842.db2.gz PDISTIHVRHCLAR-WDEREUQCSA-N 2 0 270.446 1.336 10 0 CDAERP Cc1cc(CC[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)nn1C ZINC000926916422 621597709 /nfs/dbraw/zinc/59/77/09/621597709.db2.gz XALVFMLDHACLGL-YPMHNXCESA-N 2 0 250.390 1.343 10 0 CDAERP Cc1cc(CC[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)nn1C ZINC000926916419 621597873 /nfs/dbraw/zinc/59/78/73/621597873.db2.gz XALVFMLDHACLGL-AAEUAGOBSA-N 2 0 250.390 1.343 10 0 CDAERP C([NH2+][C@@H]1CCOC12CCOCC2)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000924649450 621632854 /nfs/dbraw/zinc/63/28/54/621632854.db2.gz OUFSXAKOGDXZEG-UKRRQHHQSA-N 2 0 280.412 1.398 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])N[C@@H](C)C2CC2)C1 ZINC000899265295 622129155 /nfs/dbraw/zinc/12/91/55/622129155.db2.gz XFDYSNKJZDVUIM-NWDGAFQWSA-N 2 0 252.406 1.631 10 0 CDAERP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900304735 622875418 /nfs/dbraw/zinc/87/54/18/622875418.db2.gz FPCKNDHSVWIIKZ-SQWLQELKSA-N 2 0 299.459 1.068 10 0 CDAERP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000900339169 622887092 /nfs/dbraw/zinc/88/70/92/622887092.db2.gz MWDMOXFLYBEUPU-AWEZNQCLSA-N 2 0 293.455 1.709 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)[NH+](C)C1CC1 ZINC000900544903 623229253 /nfs/dbraw/zinc/22/92/53/623229253.db2.gz WHYXYLFWCIYTNK-SNPRPXQTSA-N 2 0 279.428 1.602 10 0 CDAERP C1[C@@H]2[C@H]1[C@@H]1O[C@H]2C[C@H]1[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000902453274 624836598 /nfs/dbraw/zinc/83/65/98/624836598.db2.gz OPHWQEMMDBYFJM-AADFWWHXSA-N 2 0 276.424 1.920 10 0 CDAERP C1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C2(C1)CCOCC2 ZINC000902467662 624859104 /nfs/dbraw/zinc/85/91/04/624859104.db2.gz QZSLTFDXXDKXGI-RQJABVFESA-N 2 0 250.386 1.818 10 0 CDAERP C1C[C@@H]2C[C@H]([NH2+][C@H]3CCO[C@@]34CCOC4)CC[N@@H+]2C1 ZINC000903073621 625838121 /nfs/dbraw/zinc/83/81/21/625838121.db2.gz PJCPNALYZFOELH-APIJFGDWSA-N 2 0 266.385 1.151 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CS(=O)(=O)Cc3ccccc32)C1 ZINC000903464261 625996657 /nfs/dbraw/zinc/99/66/57/625996657.db2.gz FKPUQVOYQBXWAD-NJZAAPMLSA-N 2 0 294.420 1.373 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC000903443451 625997616 /nfs/dbraw/zinc/99/76/16/625997616.db2.gz CFYGISSQBBHPRA-HRCADAONSA-N 3 0 265.445 1.922 10 0 CDAERP C[C@@H](c1cccnc1)N1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903445168 625998645 /nfs/dbraw/zinc/99/86/45/625998645.db2.gz HNTJSQRNVWJAOR-UXLLHSPISA-N 2 0 288.439 1.888 10 0 CDAERP COC[C@@H](C[NH+]1CCC2(CC[NH2+]C2)CC1)C(C)C ZINC000903451891 626000804 /nfs/dbraw/zinc/00/08/04/626000804.db2.gz FGVGDHBCCRPMTM-CQSZACIVSA-N 2 0 254.418 1.981 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CC[NH+](C2CCCCC2)CC1 ZINC000903455137 626001789 /nfs/dbraw/zinc/00/17/89/626001789.db2.gz RAGDDIXJMJYABC-CABCVRRESA-N 2 0 265.445 1.792 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)C1 ZINC000903457232 626002613 /nfs/dbraw/zinc/00/26/13/626002613.db2.gz ORFNDYQKUOLHSI-IGQOVBAYSA-N 2 0 265.401 1.104 10 0 CDAERP COc1ccc([C@H](C[NH3+])CN[C@H]2CC[NH2+]C23CCC3)cc1 ZINC000903470450 626003488 /nfs/dbraw/zinc/00/34/88/626003488.db2.gz BUIJPKVFOIEGTL-ZBFHGGJFSA-N 2 0 289.423 1.612 10 0 CDAERP [NH3+][C@@H]1CN(CC[C@@H]2CCC[NH2+]C2)CC[C@@H]1C(F)(F)F ZINC000903540384 626015999 /nfs/dbraw/zinc/01/59/99/626015999.db2.gz NNVGXDXVDRGEDA-SDDRHHMPSA-N 2 0 279.350 1.588 10 0 CDAERP O=C1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]2CCCC[C@@H]2N1 ZINC000903890043 626124555 /nfs/dbraw/zinc/12/45/55/626124555.db2.gz YMGWDCFGVJAUCE-CHZLEKFTSA-N 2 0 277.412 1.260 10 0 CDAERP CC(C)C[N@H+](C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903880376 626130540 /nfs/dbraw/zinc/13/05/40/626130540.db2.gz QYLUFAIRBFMORL-LBPRGKRZSA-N 2 0 251.378 1.290 10 0 CDAERP CCC[N@@H+](CC(=O)OCC)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903885110 626132863 /nfs/dbraw/zinc/13/28/63/626132863.db2.gz DPILZEHKAYWTOP-AGUYFDCRSA-N 2 0 268.401 1.792 10 0 CDAERP C[C@@H]1SCCN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)[C@H]1C ZINC000903894622 626135108 /nfs/dbraw/zinc/13/51/08/626135108.db2.gz AQCGESXGLFUDPA-RWMBFGLXSA-N 2 0 295.456 1.528 10 0 CDAERP CC(C)OC(=O)[C@@H]1CCC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903897004 626136241 /nfs/dbraw/zinc/13/62/41/626136241.db2.gz XMRAWQJAXWQODN-DKUMPPAJSA-N 2 0 280.412 1.933 10 0 CDAERP COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903915634 626137484 /nfs/dbraw/zinc/13/74/84/626137484.db2.gz OZZHSAPEEFWDFW-OIYCOIKZSA-N 2 0 280.412 1.791 10 0 CDAERP COC(=O)C[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000903898727 626137641 /nfs/dbraw/zinc/13/76/41/626137641.db2.gz OEILJSRQEZIIOH-YOGCLGLASA-N 2 0 252.358 1.154 10 0 CDAERP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@@H+](CC1CC1)C1CCC1 ZINC000903909692 626143527 /nfs/dbraw/zinc/14/35/27/626143527.db2.gz XGJDRVZZKFBIIJ-HNNXBMFYSA-N 2 0 289.427 1.967 10 0 CDAERP CC(C)N1CC[C@@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1=O ZINC000903923663 626148371 /nfs/dbraw/zinc/14/83/71/626148371.db2.gz ZSPRAFZMKMDDDR-WTUNAVPPSA-N 2 0 265.401 1.116 10 0 CDAERP O=C1[C@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]2CCCCN12 ZINC000903930060 626151094 /nfs/dbraw/zinc/15/10/94/626151094.db2.gz RCFMVEHUHIJVPM-ARQSVGKCSA-N 2 0 277.412 1.260 10 0 CDAERP Nc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903932342 626152386 /nfs/dbraw/zinc/15/23/86/626152386.db2.gz BHDFKOWKVQWLOW-JQWIXIFHSA-N 2 0 255.312 1.828 10 0 CDAERP C([NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903935066 626153251 /nfs/dbraw/zinc/15/32/51/626153251.db2.gz LRQYEWNFJPKWPS-QNPGVUINSA-N 2 0 262.397 1.530 10 0 CDAERP C[C@@H]1C[C@H](C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)CC[NH2+]1 ZINC000903958251 626158402 /nfs/dbraw/zinc/15/84/02/626158402.db2.gz XVWQZIVPFXZLRQ-UTUOFQBUSA-N 3 0 261.360 1.209 10 0 CDAERP CC(C)([NH3+])CCNCc1nc2c(s1)C[NH2+]CC2 ZINC000903939886 626161242 /nfs/dbraw/zinc/16/12/42/626161242.db2.gz PTPOTHGCJCYCHG-UHFFFAOYSA-N 2 0 254.403 1.006 10 0 CDAERP CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](C[C@H]3CC[NH2+][C@H](C)C3)C[C@@H]21 ZINC000903985915 626173890 /nfs/dbraw/zinc/17/38/90/626173890.db2.gz CUDGXCHSWBPYKY-QKGCVVFFSA-N 2 0 280.412 1.506 10 0 CDAERP C[N@H+](CCCCNC(=[NH2+])NC[C@@H]1CCCS1)C1CC1 ZINC000905043021 626382249 /nfs/dbraw/zinc/38/22/49/626382249.db2.gz IYFSOCNIZMTMSU-ZDUSSCGKSA-N 2 0 284.473 1.870 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@H]2C[NH+](C)C)C1 ZINC000906522604 627303777 /nfs/dbraw/zinc/30/37/77/627303777.db2.gz CGCFSTUXNAOIFE-CABCVRRESA-N 2 0 281.444 1.661 10 0 CDAERP CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC000907447592 627677550 /nfs/dbraw/zinc/67/75/50/627677550.db2.gz IPDKBMITZPVAJQ-GJZGRUSLSA-N 2 0 279.428 1.556 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000907650884 627764615 /nfs/dbraw/zinc/76/46/15/627764615.db2.gz MQIWSYUDPRDJNB-GJZGRUSLSA-N 2 0 281.444 1.804 10 0 CDAERP C[NH+](C)[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000907746219 627828034 /nfs/dbraw/zinc/82/80/34/627828034.db2.gz LDVCBSJEHQSPDD-ZDUSSCGKSA-N 2 0 265.401 1.025 10 0 CDAERP O=C(NCCCCC[NH+]1CCCC1)C12CC[NH+](CC1)C2 ZINC000908427311 628193846 /nfs/dbraw/zinc/19/38/46/628193846.db2.gz NJDSAXOLULGLJT-UHFFFAOYSA-N 2 0 279.428 1.465 10 0 CDAERP CC[N@@H+]1CCCN(C(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC000910265429 628937231 /nfs/dbraw/zinc/93/72/31/628937231.db2.gz DSMQBUPLZHSHAI-CYBMUJFWSA-N 2 0 265.401 1.025 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CCC([NH+]2CCC2)CC1 ZINC000912879379 630263159 /nfs/dbraw/zinc/26/31/59/630263159.db2.gz YNFQCGHLBDBQIA-UHFFFAOYSA-N 2 0 267.417 1.415 10 0 CDAERP C[C@@H]1[C@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)CC[N@@H+]1C ZINC000913886294 630863892 /nfs/dbraw/zinc/86/38/92/630863892.db2.gz YEBYRCKQKYACOZ-ZIAGYGMSSA-N 2 0 296.459 1.643 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@@H](CO)Cc2ccco2)C1 ZINC000925479419 632759313 /nfs/dbraw/zinc/75/93/13/632759313.db2.gz YWVULXVDHXDWCL-BFHYXJOUSA-N 2 0 280.412 1.926 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N[C@@H]1CC[NH+](C)[C@@H]1C ZINC000921181488 632892181 /nfs/dbraw/zinc/89/21/81/632892181.db2.gz QNUVUSCAYBAAQY-CHWSQXEVSA-N 2 0 270.421 1.110 10 0 CDAERP COCCC[N@H+](C)CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001690983347 1158513810 /nfs/dbraw/zinc/51/38/10/1158513810.db2.gz GLPRQESRMWIDKW-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP COCCC[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001699819224 1158628425 /nfs/dbraw/zinc/62/84/25/1158628425.db2.gz GWPHMRPBPYBMDA-INIZCTEOSA-N 2 0 297.443 1.088 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001691071676 1158887207 /nfs/dbraw/zinc/88/72/07/1158887207.db2.gz MYGGDDJULWTNGN-DZEZYYDTSA-N 2 0 293.455 1.827 10 0 CDAERP COCCC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001266909997 1158981149 /nfs/dbraw/zinc/98/11/49/1158981149.db2.gz MZSKTFJMFKVTRQ-YMAMQOFZSA-N 2 0 297.443 1.134 10 0 CDAERP CN(CC[NH2+]Cc1cncs1)C(=O)C[N@H+](C)C1CCC1 ZINC001691348227 1159029505 /nfs/dbraw/zinc/02/95/05/1159029505.db2.gz SJBDQQQQTRKUQX-UHFFFAOYSA-N 2 0 296.440 1.175 10 0 CDAERP CCC[NH2+]CCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001691359897 1159035050 /nfs/dbraw/zinc/03/50/50/1159035050.db2.gz HRBHLRWSILJEMJ-ZIAGYGMSSA-N 2 0 267.417 1.461 10 0 CDAERP C1C[C@H]2[C@@H](C[NH2+]1)[C@@H]2c1nc([C@H]2C[NH+]3CCC2CC3)no1 ZINC001772538517 1158810687 /nfs/dbraw/zinc/81/06/87/1158810687.db2.gz IMHFMRQEXLESPL-QNWHQSFQSA-N 2 0 274.368 1.202 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001671368877 1159141685 /nfs/dbraw/zinc/14/16/85/1159141685.db2.gz NKRBYNQBFLKUDO-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000250603717 1159272919 /nfs/dbraw/zinc/27/29/19/1159272919.db2.gz KSYMRLQUKLPYEJ-TUVASFSCSA-N 2 0 279.428 1.365 10 0 CDAERP CC/C=C/CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001690356304 1175447729 /nfs/dbraw/zinc/44/77/29/1175447729.db2.gz CWOHBGUJKHAVHC-XWYFBGFKSA-N 2 0 293.455 1.921 10 0 CDAERP CC(C)(C(=O)NC/C=C\C[NH2+]CCC1CC1)[NH+]1CCCC1 ZINC001268574316 1159979232 /nfs/dbraw/zinc/97/92/32/1159979232.db2.gz SRHODHNTBQDOFH-ARJAWSKDSA-N 2 0 293.455 1.923 10 0 CDAERP CC(C)C[N@H+](C)CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001482617712 1160568097 /nfs/dbraw/zinc/56/80/97/1160568097.db2.gz PMKSOWVHPYDSHL-UHFFFAOYSA-N 2 0 283.460 1.907 10 0 CDAERP CCC[NH2+]CCN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001691608144 1160716862 /nfs/dbraw/zinc/71/68/62/1160716862.db2.gz LDZYHSDEFCJHIJ-UHFFFAOYSA-N 2 0 269.433 1.711 10 0 CDAERP Cc1cccc(C)c1C[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C ZINC001483262365 1160887296 /nfs/dbraw/zinc/88/72/96/1160887296.db2.gz YSXUCFVIVHJQTG-HNNXBMFYSA-N 2 0 291.439 1.849 10 0 CDAERP CCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCCC1 ZINC001490809351 1164870871 /nfs/dbraw/zinc/87/08/71/1164870871.db2.gz PKOIBRWDVJKXFJ-IYBDPMFKSA-N 2 0 293.455 1.948 10 0 CDAERP C[NH2+][C@H](C)Cc1noc(/C=C\[C@@H]2CCC[NH2+]C2)n1 ZINC000871788408 1165346261 /nfs/dbraw/zinc/34/62/61/1165346261.db2.gz KJZLRWAIFKJKPK-MXFLAHGMSA-N 2 0 250.346 1.233 10 0 CDAERP C[C@@H](NC(=O)CC[N@@H+]1CC[C@@H](F)C1)C1=CC[NH+](C)CC1 ZINC001632701615 1166369385 /nfs/dbraw/zinc/36/93/85/1166369385.db2.gz OOIBWPGGQXWJRA-TZMCWYRMSA-N 2 0 283.391 1.187 10 0 CDAERP CCN1CC[C@H]1C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC001634074642 1166467955 /nfs/dbraw/zinc/46/79/55/1166467955.db2.gz RIMBMGXYAFRISP-STQMWFEESA-N 2 0 253.390 1.023 10 0 CDAERP CC(C)[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001568369392 1168109789 /nfs/dbraw/zinc/10/97/89/1168109789.db2.gz JWUPMHONXKFJJL-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)NCC[NH+]2CCC2)CC1 ZINC001566643419 1168365123 /nfs/dbraw/zinc/36/51/23/1168365123.db2.gz BXCBWTTXVUKYDY-UHFFFAOYSA-N 2 0 267.417 1.176 10 0 CDAERP Cc1n[nH]c(=O)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c1C ZINC001647187417 1168434693 /nfs/dbraw/zinc/43/46/93/1168434693.db2.gz YOQBZEXHTCGDKJ-NWANDNLSSA-N 2 0 290.411 1.761 10 0 CDAERP CC(C)[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001567059228 1168539404 /nfs/dbraw/zinc/53/94/04/1168539404.db2.gz JJZTYJUMYHYSAP-KGLIPLIRSA-N 2 0 269.433 1.752 10 0 CDAERP C[NH+](C)CCCCC(=O)NCC1C[NH+](CC2CC2)C1 ZINC001567846463 1169012389 /nfs/dbraw/zinc/01/23/89/1169012389.db2.gz VKTSGCLVJNKOTD-UHFFFAOYSA-N 2 0 267.417 1.176 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001567899557 1169047753 /nfs/dbraw/zinc/04/77/53/1169047753.db2.gz ZWZFQMQHSCSWIJ-XETQRACLSA-N 2 0 293.455 1.875 10 0 CDAERP CC(C)OCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001568291287 1169227116 /nfs/dbraw/zinc/22/71/16/1169227116.db2.gz GOJXQMCFEJAVIX-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001569003779 1169587820 /nfs/dbraw/zinc/58/78/20/1169587820.db2.gz AHZPKARWOSVUOG-OLZOCXBDSA-N 2 0 255.406 1.221 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C[NH2+]CCC1CC1)[NH+](C)C ZINC001569092007 1169641131 /nfs/dbraw/zinc/64/11/31/1169641131.db2.gz NDVBDRXKQLUMBG-WCQYABFASA-N 2 0 255.406 1.221 10 0 CDAERP Cc1nccn1CC(=O)N1CCC[C@H]1C[NH2+]CC[C@@H](C)F ZINC001569564848 1169925204 /nfs/dbraw/zinc/92/52/04/1169925204.db2.gz LIKHSEXNUYPSOY-OCCSQVGLSA-N 2 0 296.390 1.520 10 0 CDAERP C[C@@H]1[C@H]([NH2+]CCCCCF)CCN1C(=O)C[NH+]1CCCC1 ZINC001571467236 1170440580 /nfs/dbraw/zinc/44/05/80/1170440580.db2.gz IBBALVYTCMLWGX-HUUCEWRRSA-N 2 0 299.434 1.801 10 0 CDAERP C[NH+](C)C1(C(=O)NC[C@H]2CCCC[N@@H+]2C)CCCC1 ZINC001653272781 1171529768 /nfs/dbraw/zinc/52/97/68/1171529768.db2.gz MTUGNZJDHQXVIF-CYBMUJFWSA-N 2 0 267.417 1.461 10 0 CDAERP CC[NH+](CC)CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001663442798 1172696206 /nfs/dbraw/zinc/69/62/06/1172696206.db2.gz GFUTWFFBQDIYJP-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP CN(CC[NH2+]CC1=CCCCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001664369548 1172845696 /nfs/dbraw/zinc/84/56/96/1172845696.db2.gz BKDCBZMLGPNWJY-HNNXBMFYSA-N 2 0 279.428 1.487 10 0 CDAERP C[C@H](C[NH2+]CC[C@H](C)F)N(C)C(=O)CC[NH+](C)C ZINC001666982896 1173216919 /nfs/dbraw/zinc/21/69/19/1173216919.db2.gz ODMFXQFUJVXYPA-NWDGAFQWSA-N 2 0 261.385 1.123 10 0 CDAERP C[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CCCF)CC1 ZINC001667750353 1173320698 /nfs/dbraw/zinc/32/06/98/1173320698.db2.gz BJVTYYZSXWATJO-LSDHHAIUSA-N 2 0 299.434 1.562 10 0 CDAERP C[C@@H](CC[NH2+]CCCF)NC(=O)[C@@H]1CCc2nccn2C1 ZINC001668117691 1173370802 /nfs/dbraw/zinc/37/08/02/1173370802.db2.gz LBBCYFHSEQDKBY-QWHCGFSZSA-N 2 0 296.390 1.290 10 0 CDAERP CCCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001668821316 1173469648 /nfs/dbraw/zinc/46/96/48/1173469648.db2.gz MWIRQWGYIPPHJO-LFAOLKIESA-N 2 0 281.444 1.921 10 0 CDAERP CCCCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001674774919 1174008441 /nfs/dbraw/zinc/00/84/41/1174008441.db2.gz SXJBLXYZGNHZEB-UONOGXRCSA-N 2 0 269.433 1.755 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[NH+](CCC)CC1(C)C ZINC001675481490 1174119299 /nfs/dbraw/zinc/11/92/99/1174119299.db2.gz ZZHGVWFVBXEBNN-ZDUSSCGKSA-N 2 0 269.433 1.565 10 0 CDAERP CCOCC[NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001690574459 1175509610 /nfs/dbraw/zinc/50/96/10/1175509610.db2.gz APDJWPVWRAFVBH-AWEZNQCLSA-N 2 0 299.459 1.382 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH2+]CCF)C2)CC[N@@H+]1C ZINC001690708591 1175553153 /nfs/dbraw/zinc/55/31/53/1175553153.db2.gz UNEDMMVIBGIRCA-MELADBBJSA-N 2 0 285.407 1.124 10 0 CDAERP COCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001690788710 1175572200 /nfs/dbraw/zinc/57/22/00/1175572200.db2.gz UYFQBDWICZCZJI-HUUCEWRRSA-N 2 0 299.459 1.380 10 0 CDAERP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[NH2+]CCCF ZINC001698597819 1175865713 /nfs/dbraw/zinc/86/57/13/1175865713.db2.gz TWUDZAFDMICDLS-UONOGXRCSA-N 2 0 287.423 1.703 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](CC[NH2+]CCF)C2)CC[N@@H+]1C ZINC001698670767 1175892810 /nfs/dbraw/zinc/89/28/10/1175892810.db2.gz IPBPZEKSANDFLO-QLFBSQMISA-N 2 0 299.434 1.514 10 0 CDAERP CC(C)[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CCCF ZINC001698971995 1176001735 /nfs/dbraw/zinc/00/17/35/1176001735.db2.gz LTQLESZSTVJBGJ-KGLIPLIRSA-N 2 0 287.423 1.418 10 0 CDAERP C[NH+](C)CCC(=O)NC/C=C/C[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001699298912 1176207395 /nfs/dbraw/zinc/20/73/95/1176207395.db2.gz LSZUREZMSMGOEV-OUUQNZETSA-N 2 0 293.455 1.636 10 0 CDAERP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]C/C=C/Cl)C2CC2)CC[N@@H+]1C ZINC001699576411 1176479805 /nfs/dbraw/zinc/47/98/05/1176479805.db2.gz ODHIXOFKSMPTAZ-LTZQABKHSA-N 2 0 299.846 1.564 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCCCCF ZINC001699629437 1176526203 /nfs/dbraw/zinc/52/62/03/1176526203.db2.gz UGQASMDANCAUNI-HUUCEWRRSA-N 2 0 299.434 1.801 10 0 CDAERP CCCCC[N@@H+]1CC[C@H]1CNC(=O)Cc1[nH]cnc1C ZINC001699640603 1176537394 /nfs/dbraw/zinc/53/73/94/1176537394.db2.gz XMQMGMQZLOYKRB-ZDUSSCGKSA-N 2 0 278.400 1.641 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001699670124 1176562907 /nfs/dbraw/zinc/56/29/07/1176562907.db2.gz FZUNPIZAZQXNBX-ZIAGYGMSSA-N 2 0 281.444 1.898 10 0 CDAERP CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CCCF)[NH+](C)C ZINC001699758524 1176610315 /nfs/dbraw/zinc/61/03/15/1176610315.db2.gz KLJNBLAGQONUPY-STQMWFEESA-N 2 0 273.396 1.267 10 0 CDAERP C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]CCCF ZINC001699960572 1176697555 /nfs/dbraw/zinc/69/75/55/1176697555.db2.gz GZTMZVUCYGWIDV-UONOGXRCSA-N 2 0 299.434 1.514 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001700348607 1176861517 /nfs/dbraw/zinc/86/15/17/1176861517.db2.gz AKAIFHLDHMOZIE-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP CCCCC[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001700475842 1176965525 /nfs/dbraw/zinc/96/55/25/1176965525.db2.gz ZLCPETIPGJDPKQ-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001707158770 1177961413 /nfs/dbraw/zinc/96/14/13/1177961413.db2.gz XEQXCPINSYZFRB-LVQVYYBASA-N 2 0 295.471 1.953 10 0 CDAERP C[N@H+](CCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)CC1CC1 ZINC001707385103 1178010558 /nfs/dbraw/zinc/01/05/58/1178010558.db2.gz HIXCWIYEODIVMY-HZPDHXFCSA-N 2 0 293.455 1.851 10 0 CDAERP CCCC[N@H+](CC)CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001713013368 1178304587 /nfs/dbraw/zinc/30/45/87/1178304587.db2.gz UZMPNKUFKHGPPC-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@H](F)CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001713049118 1178329554 /nfs/dbraw/zinc/32/95/54/1178329554.db2.gz YEDDUXAHPNVRJW-KBPBESRZSA-N 2 0 299.434 1.657 10 0 CDAERP CCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001713310551 1178488594 /nfs/dbraw/zinc/48/85/94/1178488594.db2.gz WWYPWDCWYZHKBD-OLZOCXBDSA-N 2 0 255.406 1.364 10 0 CDAERP CN(CC[NH2+]CC1CCCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001713663350 1178702082 /nfs/dbraw/zinc/70/20/82/1178702082.db2.gz DLUBNGJMPOOGHD-CQSZACIVSA-N 2 0 267.417 1.176 10 0 CDAERP CCCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001713990854 1178913516 /nfs/dbraw/zinc/91/35/16/1178913516.db2.gz CZHBZBNYOPVCNK-GJZGRUSLSA-N 2 0 281.444 1.804 10 0 CDAERP CC(C)CC[NH2+][C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001714242078 1179041296 /nfs/dbraw/zinc/04/12/96/1179041296.db2.gz UZWFIAVUUNJWEW-CYBMUJFWSA-N 2 0 269.433 1.611 10 0 CDAERP CCCCC[NH2+][C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001714251359 1179047785 /nfs/dbraw/zinc/04/77/85/1179047785.db2.gz YNMYJWNHKMOHIQ-CQSZACIVSA-N 2 0 281.444 1.899 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001714262942 1179054981 /nfs/dbraw/zinc/05/49/81/1179054981.db2.gz XRJGXOMXNBUCHZ-ZDUSSCGKSA-N 2 0 269.433 1.611 10 0 CDAERP CCCC[NH2+][C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001714269850 1179057550 /nfs/dbraw/zinc/05/75/50/1179057550.db2.gz ZLLCGZIPVRKWTN-GFCCVEGCSA-N 2 0 255.406 1.223 10 0 CDAERP CCCC[NH2+][C@H]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001714411918 1179127883 /nfs/dbraw/zinc/12/78/83/1179127883.db2.gz NHCXVROEKBOKHP-GJZGRUSLSA-N 2 0 293.455 1.899 10 0 CDAERP C[C@@H](C[NH2+]CCCF)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001714668281 1179312356 /nfs/dbraw/zinc/31/23/56/1179312356.db2.gz LRYMXUOXUMAGEY-AWEZNQCLSA-N 2 0 299.434 1.659 10 0 CDAERP C[C@H](F)CC[NH2+]CCN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001714757161 1179380833 /nfs/dbraw/zinc/38/08/33/1179380833.db2.gz QZUIERSQPQYETE-ZDUSSCGKSA-N 2 0 289.439 1.760 10 0 CDAERP C[N@H+](CC(=O)NC/C=C\C[NH2+]CCF)CC(C)(C)C ZINC001715874575 1179866209 /nfs/dbraw/zinc/86/62/09/1179866209.db2.gz RUXMHBODELJLQQ-WAYWQWQTSA-N 2 0 273.396 1.196 10 0 CDAERP CCCC[NH2+]C/C=C/CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001715866615 1179883779 /nfs/dbraw/zinc/88/37/79/1179883779.db2.gz BNTFXFVPWCHSTB-GJBLVYBDSA-N 2 0 267.417 1.390 10 0 CDAERP C[C@H](C[NH2+]CCC1CC1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001715929630 1179924108 /nfs/dbraw/zinc/92/41/08/1179924108.db2.gz HUUZFFMYCRPYBC-IUODEOHRSA-N 2 0 279.428 1.223 10 0 CDAERP CC/C=C/CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001716013305 1179987005 /nfs/dbraw/zinc/98/70/05/1179987005.db2.gz FLOMRPGHDIDHMO-KXLSMFKISA-N 2 0 281.444 1.873 10 0 CDAERP C[C@@H](CC[NH2+]CC1CC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001716188171 1180089285 /nfs/dbraw/zinc/08/92/85/1180089285.db2.gz YKXACDAMWBKNQQ-JSGCOSHPSA-N 2 0 267.417 1.223 10 0 CDAERP O=C(NC/C=C\C[NH2+]CCC1CC1)C12CC[NH+](CC1)C2 ZINC001716368311 1180170239 /nfs/dbraw/zinc/17/02/39/1180170239.db2.gz PQVDPCQUMKRWHY-UPHRSURJSA-N 2 0 277.412 1.144 10 0 CDAERP C[C@H](C[NH2+]CC[C@H](C)F)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001716412641 1180193415 /nfs/dbraw/zinc/19/34/15/1180193415.db2.gz KCXKTDTWJGAZTN-QWHCGFSZSA-N 2 0 289.439 1.807 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H](C[NH2+]CCF)C1CC1)[NH+]1CCCC1 ZINC001716631861 1180315821 /nfs/dbraw/zinc/31/58/21/1180315821.db2.gz PPXFEUHZNSLBRR-CABCVRRESA-N 2 0 299.434 1.561 10 0 CDAERP CCC[NH2+]CC[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001717106978 1180532968 /nfs/dbraw/zinc/53/29/68/1180532968.db2.gz SYIFABOTFNLJNP-AWEZNQCLSA-N 2 0 279.428 1.320 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]CCF)C1 ZINC001717394290 1180645919 /nfs/dbraw/zinc/64/59/19/1180645919.db2.gz GPNHZZATYBMTIZ-JXQTWKCFSA-N 2 0 285.407 1.315 10 0 CDAERP CC(C)[NH2+][C@@H](C)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001717428414 1180667699 /nfs/dbraw/zinc/66/76/99/1180667699.db2.gz GVYDJWCIPIDAQG-STQMWFEESA-N 2 0 269.433 1.610 10 0 CDAERP CC(C)C[NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001717646246 1180772082 /nfs/dbraw/zinc/77/20/82/1180772082.db2.gz DTSDTOSWXMSLKZ-JOCQHMNTSA-N 2 0 255.406 1.079 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CC2)C1 ZINC001717879139 1180909410 /nfs/dbraw/zinc/90/94/10/1180909410.db2.gz LKDUWXZQLCRNAF-KBPBESRZSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)CCC[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001723581078 1181590031 /nfs/dbraw/zinc/59/00/31/1181590031.db2.gz JMFSETNSCFBJJA-UHFFFAOYSA-N 2 0 293.455 1.757 10 0 CDAERP CN(C(=O)CCCC[NH+](C)C)C1C[NH+](CCC2CC2)C1 ZINC001723814835 1181607337 /nfs/dbraw/zinc/60/73/37/1181607337.db2.gz PJODUHJEHHIINA-UHFFFAOYSA-N 2 0 281.444 1.661 10 0 CDAERP CC/C=C/CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001725355926 1181970807 /nfs/dbraw/zinc/97/08/07/1181970807.db2.gz JKIMTWWLRWAQTL-GHNZZDGLSA-N 2 0 293.455 1.921 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H](C[NH2+]CCC3CC3)C2)CC1 ZINC001725363066 1181974774 /nfs/dbraw/zinc/97/47/74/1181974774.db2.gz BSRTYUFPKUMSBM-SHTZXODSSA-N 2 0 293.455 1.613 10 0 CDAERP COCCC[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)c1cnc[nH]1 ZINC001725513131 1182031773 /nfs/dbraw/zinc/03/17/73/1182031773.db2.gz GHHHHEYWNQPPEA-LBPRGKRZSA-N 2 0 296.415 1.160 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CCCF)C(C)(C)C1 ZINC001725681495 1182089728 /nfs/dbraw/zinc/08/97/28/1182089728.db2.gz OZXWMNLCSFVYFH-ZDUSSCGKSA-N 2 0 287.423 1.514 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001725754454 1182122658 /nfs/dbraw/zinc/12/26/58/1182122658.db2.gz GBIMVOBFYGGPRK-RYUDHWBXSA-N 2 0 255.406 1.079 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)CC1CC(C)C1 ZINC001731322968 1182317381 /nfs/dbraw/zinc/31/73/81/1182317381.db2.gz UXXLQDLXNAMHKN-UYSNPLJNSA-N 2 0 295.471 1.812 10 0 CDAERP CC/C=C/CC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001731453066 1182396246 /nfs/dbraw/zinc/39/62/46/1182396246.db2.gz CWOHBGUJKHAVHC-GHNZZDGLSA-N 2 0 293.455 1.921 10 0 CDAERP O=C(CCC[NH+]1CCCCC1)N[C@H]1C[C@@H]([NH2+]CCCF)C1 ZINC001731491796 1182417427 /nfs/dbraw/zinc/41/74/27/1182417427.db2.gz JSJPENKBPAKYHP-GASCZTMLSA-N 2 0 299.434 1.849 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCCF)C2)C1 ZINC001731490765 1182417639 /nfs/dbraw/zinc/41/76/39/1182417639.db2.gz SCFDXHFOXICLKP-BYNSBNAKSA-N 2 0 299.434 1.703 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H](CC[NH2+]CCF)C1 ZINC001732282545 1182893960 /nfs/dbraw/zinc/89/39/60/1182893960.db2.gz VEIPWJPYSCQBAA-ZDUSSCGKSA-N 2 0 273.396 1.126 10 0 CDAERP CCCCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001732344214 1182916973 /nfs/dbraw/zinc/91/69/73/1182916973.db2.gz UNQSXJYSIGWMBB-ZBFHGGJFSA-N 2 0 295.471 1.860 10 0 CDAERP CCCCC[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001732386896 1182941456 /nfs/dbraw/zinc/94/14/56/1182941456.db2.gz UHUGWWQUEZCCDI-OAHLLOKOSA-N 2 0 297.443 1.089 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CCF ZINC001732873260 1183166696 /nfs/dbraw/zinc/16/66/96/1183166696.db2.gz JWCCZJVYBKVFSI-XGACYXMMSA-N 2 0 285.407 1.338 10 0 CDAERP C[NH+]1CCC(C(=O)NC/C=C/C[NH2+]CC2CCCC2)CC1 ZINC001732895824 1183175190 /nfs/dbraw/zinc/17/51/90/1183175190.db2.gz VEQDECNYBLGUEQ-SNAWJCMRSA-N 2 0 293.455 1.780 10 0 CDAERP CCCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001732956797 1183203870 /nfs/dbraw/zinc/20/38/70/1183203870.db2.gz PUHPFPZZGWIZFX-KGLIPLIRSA-N 2 0 269.433 1.755 10 0 CDAERP CCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001733039327 1183255823 /nfs/dbraw/zinc/25/58/23/1183255823.db2.gz REPMBCUMEUKUDH-OCCSQVGLSA-N 2 0 267.417 1.175 10 0 CDAERP CN(CCC[NH2+]CCC(C)(C)C)C(=O)C[NH+]1CCCC1 ZINC001733143172 1183305402 /nfs/dbraw/zinc/30/54/02/1183305402.db2.gz FLVSDHRJWXTHBM-UHFFFAOYSA-N 2 0 283.460 1.957 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001733553406 1183464985 /nfs/dbraw/zinc/46/49/85/1183464985.db2.gz QNUODGMXUCOURW-HOTGVXAUSA-N 2 0 295.471 1.979 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001733925540 1183569371 /nfs/dbraw/zinc/56/93/71/1183569371.db2.gz OFINWQHFZGKKLF-HOTGVXAUSA-N 2 0 293.455 1.970 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CC)C1 ZINC001734339426 1183738707 /nfs/dbraw/zinc/73/87/07/1183738707.db2.gz NHODAFAAJOBRCG-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP CCCC[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC001734503417 1183802429 /nfs/dbraw/zinc/80/24/29/1183802429.db2.gz AIAAHRDLSQOVQX-KGLIPLIRSA-N 2 0 281.444 1.565 10 0 CDAERP CC[NH2+]CCOCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001734614377 1183844957 /nfs/dbraw/zinc/84/49/57/1183844957.db2.gz KMNSMHFQADPHPO-OAHLLOKOSA-N 2 0 299.459 1.334 10 0 CDAERP CN(C[C@H]1CCC[N@@H+]1C)C(=O)N[C@H]1CC[C@H]2C[NH+](C)C[C@@H]21 ZINC001772437097 1187230913 /nfs/dbraw/zinc/23/09/13/1187230913.db2.gz ONFLOWOFVQGHJM-XGUBFFRZSA-N 2 0 294.443 1.062 10 0 CDAERP COc1ccccc1[C@@H]1CN(CCOCC[NH3+])CCO1 ZINC000866704841 1164810505 /nfs/dbraw/zinc/81/05/05/1164810505.db2.gz YSOUGXVOLWYEQZ-HNNXBMFYSA-N 2 0 280.368 1.044 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@@H](O)CC(C)(C)O ZINC000872200861 782260793 /nfs/dbraw/zinc/26/07/93/782260793.db2.gz LRSQBCCZSCELIZ-GJZGRUSLSA-N 2 0 286.460 1.753 10 0 CDAERP C[C@H](CO)CCC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925630293 782277188 /nfs/dbraw/zinc/27/71/88/782277188.db2.gz QPWKWZILCJPGAD-XUXIUFHCSA-N 2 0 254.418 1.761 10 0 CDAERP CC(C)N(C(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1)C(C)C ZINC000923504192 782277339 /nfs/dbraw/zinc/27/73/39/782277339.db2.gz PPHNILVRTPMEPX-UONOGXRCSA-N 2 0 269.433 1.549 10 0 CDAERP CCNC(=[NH2+])NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000849024429 782347277 /nfs/dbraw/zinc/34/72/77/782347277.db2.gz PFTLHHRQNVYAJX-UHFFFAOYSA-N 2 0 292.349 1.926 10 0 CDAERP C[C@@H]1C[C@@H](CN2CC[N@@H+]3CCCC[C@H]3C2)CC[NH2+]1 ZINC000261590393 782360957 /nfs/dbraw/zinc/36/09/57/782360957.db2.gz WYWYVDFJKUUPFH-ILXRZTDVSA-N 2 0 251.418 1.545 10 0 CDAERP CO[C@H](C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)C1CCCC1 ZINC000923516171 782457890 /nfs/dbraw/zinc/45/78/90/782457890.db2.gz TXJKDUNWBHDGFD-RRFJBIMHSA-N 2 0 252.402 1.733 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCCN3CCSC[C@@H]23)C12CCC2 ZINC000720476243 782458431 /nfs/dbraw/zinc/45/84/31/782458431.db2.gz PXWQAGZMPHOVID-FQUUOJAGSA-N 2 0 281.469 1.426 10 0 CDAERP Cc1nnc(CC[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)s1 ZINC000925668822 782464665 /nfs/dbraw/zinc/46/46/65/782464665.db2.gz KJTAMNZZJBSLOX-WXHSDQCUSA-N 2 0 280.441 1.755 10 0 CDAERP C=C/C(C)=C/CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870019713 1165132996 /nfs/dbraw/zinc/13/29/96/1165132996.db2.gz NGOCXHAECUAKMJ-RCVIBLRSSA-N 2 0 293.455 1.707 10 0 CDAERP O=C(CCC12CC(C1)C[NH2+]2)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000870913644 1165232792 /nfs/dbraw/zinc/23/27/92/1165232792.db2.gz DBMQDNRKPVRIHG-OGVSOVDVSA-N 2 0 277.412 1.121 10 0 CDAERP CSCC[C@H]([NH3+])C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000870994923 1165251320 /nfs/dbraw/zinc/25/13/20/1165251320.db2.gz YFKKVBACJTYAJV-FZMZJTMJSA-N 2 0 287.473 1.290 10 0 CDAERP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC000829578557 1165378449 /nfs/dbraw/zinc/37/84/49/1165378449.db2.gz MAPDTLTYKHNROJ-MRXNPFEDSA-N 2 0 295.471 1.907 10 0 CDAERP C[N@@H+]1CCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C2(CCCCC2)C1 ZINC000872286544 1165410694 /nfs/dbraw/zinc/41/06/94/1165410694.db2.gz KNXKDSVFBRGYCN-KEYYUXOJSA-N 2 0 291.439 1.591 10 0 CDAERP C[N@@H+]1CC[C@](O)(CNCc2cnc3c(F)cccc3c2)C1 ZINC000865528954 782583342 /nfs/dbraw/zinc/58/33/42/782583342.db2.gz RHZLNRBPCYGXHQ-INIZCTEOSA-N 2 0 289.354 1.530 10 0 CDAERP CC1(C)CCC[N@H+](CCN[C@H]2CC[NH2+]C23CCC3)C1 ZINC000925660188 782610237 /nfs/dbraw/zinc/61/02/37/782610237.db2.gz PNMVMUHHWXEPLO-AWEZNQCLSA-N 2 0 265.445 1.983 10 0 CDAERP CC1(C)[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925563888 782635337 /nfs/dbraw/zinc/63/53/37/782635337.db2.gz WSKGNFVCTLXPJY-ARKGTOAJSA-N 2 0 277.456 1.979 10 0 CDAERP CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925876074 782681375 /nfs/dbraw/zinc/68/13/75/782681375.db2.gz QMWSXGFZJYIHNK-XQHKEYJVSA-N 2 0 274.430 1.059 10 0 CDAERP COc1ncncc1C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000843407443 782864267 /nfs/dbraw/zinc/86/42/67/782864267.db2.gz RFTKBUIQMLZMFG-UHFFFAOYSA-N 2 0 290.411 1.793 10 0 CDAERP CC1(C)[C@@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925726227 783043212 /nfs/dbraw/zinc/04/32/12/783043212.db2.gz GUSYZEUVXZNEQW-UKRFAEJPSA-N 3 0 277.456 1.883 10 0 CDAERP COCC[N@H+](C)CCCN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925543235 783083587 /nfs/dbraw/zinc/08/35/87/783083587.db2.gz LPDRQDBXFNXNRC-ZIAGYGMSSA-N 2 0 271.449 1.450 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872302980 783102945 /nfs/dbraw/zinc/10/29/45/783102945.db2.gz RYAUMSAWUKEPMW-CABCVRRESA-N 2 0 283.460 1.988 10 0 CDAERP C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+](C)CCCCCC[NH3+])C1 ZINC000710693088 783120330 /nfs/dbraw/zinc/12/03/30/783120330.db2.gz KGIAXRKYCQZKAB-GASCZTMLSA-N 2 0 283.460 1.942 10 0 CDAERP C1CC2(C1)[NH2+]CC[C@H]2NC1CC([NH+]2CCCCC2)C1 ZINC000925664241 783139035 /nfs/dbraw/zinc/13/90/35/783139035.db2.gz XGYTZAYFOUXMGD-YMAMQOFZSA-N 2 0 263.429 1.878 10 0 CDAERP CC1(C)CCC[N@H+](CCN[C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925660639 783214533 /nfs/dbraw/zinc/21/45/33/783214533.db2.gz SAWKPDKWUNGAOG-UONOGXRCSA-N 2 0 265.445 1.968 10 0 CDAERP [NH3+]CCCCCC[NH+]1CCC([C@H]2COC(=O)N2)CC1 ZINC000923526921 780301948 /nfs/dbraw/zinc/30/19/48/780301948.db2.gz VZWUFRZKWOHQAC-CYBMUJFWSA-N 2 0 269.389 1.326 10 0 CDAERP CN(Cc1ccoc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000809741788 780318629 /nfs/dbraw/zinc/31/86/29/780318629.db2.gz WJZKTMSQJYXOPT-INIZCTEOSA-N 2 0 277.412 1.880 10 0 CDAERP COC(=O)c1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)s1 ZINC000923495246 780350399 /nfs/dbraw/zinc/35/03/99/780350399.db2.gz AQPRSKSENQFOBL-QWRGUYRKSA-N 2 0 282.409 1.951 10 0 CDAERP O[C@H](C[NH2+][C@H](C1CCC1)[C@@H]1CCCO1)C[NH+]1CCCC1 ZINC000866240758 780439884 /nfs/dbraw/zinc/43/98/84/780439884.db2.gz MVYIEVVXDSEIRJ-OWCLPIDISA-N 2 0 282.428 1.380 10 0 CDAERP OCC1(C(F)(F)F)CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000923525393 780485625 /nfs/dbraw/zinc/48/56/25/780485625.db2.gz HFTZYURULTVTQP-NSHDSACASA-N 2 0 280.334 1.623 10 0 CDAERP Cc1ncsc1C[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923322914 780544160 /nfs/dbraw/zinc/54/41/60/780544160.db2.gz CBXFUNGSESZNSK-LLVKDONJSA-N 2 0 267.398 1.262 10 0 CDAERP COC[C@@H](C[NH+]1CCC(O)(C[NH+](C)C)CC1)C(C)C ZINC000721972875 780555699 /nfs/dbraw/zinc/55/56/99/780555699.db2.gz PPWCDUYYGFHXDK-CQSZACIVSA-N 2 0 272.433 1.294 10 0 CDAERP CC[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)[C@@H]1CCCOC1 ZINC000872034657 780575262 /nfs/dbraw/zinc/57/52/62/780575262.db2.gz QCWVDFZFLVZNCQ-XHSDSOJGSA-N 2 0 283.460 1.417 10 0 CDAERP COCCC[C@H](C)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925849929 780658010 /nfs/dbraw/zinc/65/80/10/780658010.db2.gz FWUVIROZTZPZQQ-STQMWFEESA-N 2 0 284.400 1.076 10 0 CDAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CC[C@@H]1CCCO1)CC2 ZINC000923451313 780658731 /nfs/dbraw/zinc/65/87/31/780658731.db2.gz MZHUMJLMCRUPFW-KBPBESRZSA-N 2 0 268.401 1.385 10 0 CDAERP C[C@H]1CCC[N@@H+]1CCNC(=O)CC[C@H]1CCCC[NH+]1C ZINC000807272338 780819730 /nfs/dbraw/zinc/81/97/30/780819730.db2.gz ZLGXQOIOOWIGSM-LSDHHAIUSA-N 2 0 281.444 1.851 10 0 CDAERP CC(C)(O)C[C@H](O)C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000872209848 780865519 /nfs/dbraw/zinc/86/55/19/780865519.db2.gz XSQCYFAAVQNIKZ-AWEZNQCLSA-N 2 0 270.417 1.115 10 0 CDAERP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000236606077 780944046 /nfs/dbraw/zinc/94/40/46/780944046.db2.gz ZJIZVCOSECERJK-YNEHKIRRSA-N 2 0 255.406 1.336 10 0 CDAERP COC(=O)/C=C(/C)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000929275249 781004319 /nfs/dbraw/zinc/00/43/19/781004319.db2.gz ISUXSBQGETXBHD-KAMYIIQDSA-N 2 0 280.412 1.914 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713218172 781036400 /nfs/dbraw/zinc/03/64/00/781036400.db2.gz BWYLQSQZZAPNME-NYTXWWLZSA-N 2 0 279.428 1.495 10 0 CDAERP COc1ccc(CN2CC[C@]3(C2)CCC[NH2+]C3)cn1 ZINC000709828613 781046797 /nfs/dbraw/zinc/04/67/97/781046797.db2.gz PDRUTRMVWVWTRP-OAHLLOKOSA-N 2 0 261.369 1.666 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCC(C)(C)CO1 ZINC000925734022 781055082 /nfs/dbraw/zinc/05/50/82/781055082.db2.gz ZKICXSKOGXIZGU-XUXIUFHCSA-N 2 0 270.417 1.534 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000851678367 781060222 /nfs/dbraw/zinc/06/02/22/781060222.db2.gz WQNOYWMBXPVTPP-UKRRQHHQSA-N 2 0 282.432 1.145 10 0 CDAERP C[C@@H]1NCCC[C@H]1[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000715574583 781063527 /nfs/dbraw/zinc/06/35/27/781063527.db2.gz ZIVSQOMPKRIHEA-FGZQJIAISA-N 2 0 253.434 1.979 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000710879224 781075451 /nfs/dbraw/zinc/07/54/51/781075451.db2.gz CMJMYEUHXPNSDZ-KBUPBQIOSA-N 2 0 279.428 1.589 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2NC1CC([NH+]2CCCCC2)C1 ZINC000926337624 781101944 /nfs/dbraw/zinc/10/19/44/781101944.db2.gz QGXBWYWWVIYTIO-JJXSXHAKSA-N 2 0 277.456 1.933 10 0 CDAERP CC[C@@H]1C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCS1 ZINC000923318308 781215700 /nfs/dbraw/zinc/21/57/00/781215700.db2.gz YTMQJODBRXVECF-VXGBXAGGSA-N 2 0 256.415 1.192 10 0 CDAERP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C(F)(F)F ZINC000261550117 781191204 /nfs/dbraw/zinc/19/12/04/781191204.db2.gz LHZJQCYFFAIAFV-GWOFURMSSA-N 2 0 266.307 1.420 10 0 CDAERP CCC(C)(C)[NH+]1CCN(C(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852896956 781271762 /nfs/dbraw/zinc/27/17/62/781271762.db2.gz KELIJUCZPNVAKZ-UHFFFAOYSA-N 2 0 279.428 1.629 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCOC23CCOCC3)C1 ZINC000925219586 781314026 /nfs/dbraw/zinc/31/40/26/781314026.db2.gz DSSUSDQKZAGNNG-RRFJBIMHSA-N 2 0 282.428 1.787 10 0 CDAERP CN(CCC[NH+](C)C)CCNC(=O)OCC1CC1 ZINC000849429322 781406769 /nfs/dbraw/zinc/40/67/69/781406769.db2.gz NLUOWALAPPCDNU-UHFFFAOYSA-N 2 0 257.378 1.006 10 0 CDAERP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@@H]1CC3(CCC3)CO1)C2 ZINC000872154701 781423191 /nfs/dbraw/zinc/42/31/91/781423191.db2.gz WMYRJHVSFSAZDV-MELADBBJSA-N 2 0 250.386 1.487 10 0 CDAERP Cc1csc(C[C@H]2CC[N@H+](C[C@@H]3CC[NH2+]C3)C2)n1 ZINC000923551211 781492956 /nfs/dbraw/zinc/49/29/56/781492956.db2.gz LBPMHAHLGPWCDK-CHWSQXEVSA-N 2 0 265.426 1.925 10 0 CDAERP C[N@@H+]1CCC[C@@H](C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000397726961 781631172 /nfs/dbraw/zinc/63/11/72/781631172.db2.gz OANGHTNAQWGYFG-ZDUSSCGKSA-N 2 0 297.443 1.785 10 0 CDAERP C[C@@H]1C[C@@H](N[C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC[N@@H+]1C ZINC000925514437 781796789 /nfs/dbraw/zinc/79/67/89/781796789.db2.gz FKNNGKUKQDQIIJ-QKGCVVFFSA-N 2 0 265.445 1.835 10 0 CDAERP [NH3+]CCCCCC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000828421315 781800219 /nfs/dbraw/zinc/80/02/19/781800219.db2.gz PHHOBMAQEYTOPX-UHFFFAOYSA-N 2 0 273.340 1.725 10 0 CDAERP O=C1CCCCN1CC1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000923316350 781809295 /nfs/dbraw/zinc/80/92/95/781809295.db2.gz OSYBXQLXJSBWIE-UHFFFAOYSA-N 2 0 293.455 1.853 10 0 CDAERP CCc1[nH]nc(Cl)c1C[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000922138248 781817329 /nfs/dbraw/zinc/81/73/29/781817329.db2.gz HOYUFJRXOMKGKA-QMMMGPOBSA-N 2 0 279.775 1.996 10 0 CDAERP NC(=O)c1ccc(CC[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000866660381 781834355 /nfs/dbraw/zinc/83/43/55/781834355.db2.gz HCYLBGQNLUJTMB-JYJNAYRXSA-N 2 0 287.407 1.387 10 0 CDAERP CCOC(=O)CC1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000923369040 781848147 /nfs/dbraw/zinc/84/81/47/781848147.db2.gz GEZPDXSEGRGBLY-UHFFFAOYSA-N 2 0 268.401 1.794 10 0 CDAERP CC(C)[C@@H]1CCN(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)C1=O ZINC000853502634 781888897 /nfs/dbraw/zinc/88/88/97/781888897.db2.gz FKPMQMQXJKMFMP-PMPSAXMXSA-N 2 0 293.455 1.865 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000844187277 783267859 /nfs/dbraw/zinc/26/78/59/783267859.db2.gz DARVYAZQULLGKO-MELADBBJSA-N 2 0 267.417 1.175 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(=O)N(CC3CC3)C2)CCN1C ZINC000716827539 783268565 /nfs/dbraw/zinc/26/85/65/783268565.db2.gz XBIFNIOMRXSXTE-KWCYVHTRSA-N 2 0 265.401 1.070 10 0 CDAERP C[C@H](C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)CN1CC[NH+](C)CC1 ZINC000925493871 783270279 /nfs/dbraw/zinc/27/02/79/783270279.db2.gz ZWKNTIJZIXFENM-PMPSAXMXSA-N 3 0 296.503 1.366 10 0 CDAERP CO[C@H]1CCC[C@@H]([NH2+]CCOCC[NH+](C)C)CC1 ZINC000718784950 783362597 /nfs/dbraw/zinc/36/25/97/783362597.db2.gz BDLYEROKKSCGIG-KGLIPLIRSA-N 2 0 258.406 1.502 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000237567332 783420494 /nfs/dbraw/zinc/42/04/94/783420494.db2.gz YPYHRIPLBXBOSW-APIJFGDWSA-N 2 0 281.444 1.741 10 0 CDAERP CCC1([NH3+])CCN([C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000714759035 783474728 /nfs/dbraw/zinc/47/47/28/783474728.db2.gz QFWLHSFTGJYJAU-TZMCWYRMSA-N 2 0 251.418 1.815 10 0 CDAERP CC(C)(O)CN1CC[C@H]([NH2+]C2CC3(C2)COC(C)(C)C3)C1 ZINC000926778498 783490809 /nfs/dbraw/zinc/49/08/09/783490809.db2.gz QGXDXNAJZMFRJP-CBCUQQMYSA-N 2 0 296.455 1.769 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CC[C@@H](CC[NH+](C)C)C1 ZINC001644473378 1167320939 /nfs/dbraw/zinc/32/09/39/1167320939.db2.gz VUVMZCWBZRIJLD-ZIAGYGMSSA-N 2 0 269.433 1.374 10 0 CDAERP CCCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CCC)C1 ZINC001493943286 1167764769 /nfs/dbraw/zinc/76/47/69/1167764769.db2.gz WXJQYRFPZPRPJV-CABCVRRESA-N 2 0 281.444 1.804 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001566102160 1168235741 /nfs/dbraw/zinc/23/57/41/1168235741.db2.gz MAKGWXBTAJOXAJ-OLZOCXBDSA-N 2 0 255.406 1.173 10 0 CDAERP CC[C@@H](C(=O)NCCC[N@H+](C)Cc1cccnc1)[NH+](C)C ZINC001566492293 1168308037 /nfs/dbraw/zinc/30/80/37/1168308037.db2.gz AGYUZBAKYMDJOR-HNNXBMFYSA-N 2 0 292.427 1.360 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC[N@H+](CCF)C1CC1 ZINC001566604416 1168354597 /nfs/dbraw/zinc/35/45/97/1168354597.db2.gz YTURSRCZSNVBMG-ZIAGYGMSSA-N 2 0 299.434 1.799 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]CC1=CCCCC1 ZINC001567082574 1168552787 /nfs/dbraw/zinc/55/27/87/1168552787.db2.gz RJNNMAVGCHVAKF-CQSZACIVSA-N 2 0 281.444 1.921 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1C[C@H](C)CC ZINC001483695584 912875121 /nfs/dbraw/zinc/87/51/21/912875121.db2.gz IPOVMIKQHQUZKH-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP CCC[NH2+][C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001266439931 894905721 /nfs/dbraw/zinc/90/57/21/894905721.db2.gz ZRKFOEXNGIQFAC-TZMCWYRMSA-N 2 0 267.417 1.223 10 0 CDAERP CCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)C1 ZINC001266501727 895090486 /nfs/dbraw/zinc/09/04/86/895090486.db2.gz IFSFWMJIPAVJJL-HRCADAONSA-N 2 0 293.455 1.804 10 0 CDAERP C[N@H+](CCOCC[NH3+])C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000721476612 895904888 /nfs/dbraw/zinc/90/48/88/895904888.db2.gz DQPDPTVUVJKHHD-VHSXEESVSA-N 2 0 270.295 1.003 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001266786382 896049915 /nfs/dbraw/zinc/04/99/15/896049915.db2.gz HCFYDNSIBCLLNK-GDBMZVCRSA-N 2 0 293.455 1.566 10 0 CDAERP C1C[C@H]2C[C@H]([NH2+][C@@H]3CCC[NH2+]CC3)CC[C@@H]2CO1 ZINC000723648591 896099167 /nfs/dbraw/zinc/09/91/67/896099167.db2.gz VYQCRLKJAJHNKV-GBJTYRQASA-N 2 0 252.402 1.923 10 0 CDAERP CN(CC[NH2+]CCC1CCCCC1)C(=O)CC[NH+](C)C ZINC001266827428 896139949 /nfs/dbraw/zinc/13/99/49/896139949.db2.gz WMPXBHIQCBGREJ-UHFFFAOYSA-N 2 0 283.460 1.957 10 0 CDAERP C[C@H](C(=O)NC1CCCCC1)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723892088 896254045 /nfs/dbraw/zinc/25/40/45/896254045.db2.gz UUHBBVGAZXQGCX-MGPQQGTHSA-N 2 0 281.444 1.741 10 0 CDAERP CCC(CC)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723922092 896275521 /nfs/dbraw/zinc/27/55/21/896275521.db2.gz MDMZJIHDDDHQGP-JHJVBQTASA-N 2 0 269.433 1.596 10 0 CDAERP Cc1cn(C)nc1CN1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000723981452 896319543 /nfs/dbraw/zinc/31/95/43/896319543.db2.gz OYSMFKLPRWNPRB-RTXFEEFZSA-N 2 0 250.390 1.534 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]CCC(C)C ZINC001267117326 896836303 /nfs/dbraw/zinc/83/63/03/896836303.db2.gz QPKJBVXLFRETPS-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP COC[C@H](CC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)OC ZINC000693710637 897203212 /nfs/dbraw/zinc/20/32/12/897203212.db2.gz WZFOHIBIKPBFHO-RFQIPJPRSA-N 2 0 270.417 1.404 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccco2)[C@H]2CCC[C@@H]21 ZINC000796683360 897491347 /nfs/dbraw/zinc/49/13/47/897491347.db2.gz OLMSCEVAZZECOH-RFGFWPKPSA-N 2 0 264.369 1.775 10 0 CDAERP CC[C@@H](C(=O)N1CC[C@H](CC[NH2+]CC(C)C)C1)[NH+](C)C ZINC001272616302 914180542 /nfs/dbraw/zinc/18/05/42/914180542.db2.gz LCPAJNJMSKPNEN-GJZGRUSLSA-N 2 0 283.460 1.811 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCCF ZINC001283623077 898221897 /nfs/dbraw/zinc/22/18/97/898221897.db2.gz UNCQDKUDYYOFRB-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP CC[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001267726200 899401718 /nfs/dbraw/zinc/40/17/18/899401718.db2.gz VYIMWCWRQNRSHY-STQMWFEESA-N 2 0 253.390 1.071 10 0 CDAERP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CCCOC)C1 ZINC001267781101 899713999 /nfs/dbraw/zinc/71/39/99/899713999.db2.gz BTHMFZFGJOGVOT-GJZGRUSLSA-N 2 0 297.443 1.040 10 0 CDAERP CC[NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCCC1 ZINC001267847498 899864479 /nfs/dbraw/zinc/86/44/79/899864479.db2.gz YHSHCSAYOGIVKJ-UHFFFAOYSA-N 2 0 253.390 1.121 10 0 CDAERP CCCC[NH2+]CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001481302354 900263786 /nfs/dbraw/zinc/26/37/86/900263786.db2.gz LGLBKSKMJUUXMM-CYBMUJFWSA-N 2 0 255.406 1.176 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)CC[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001481306274 900310447 /nfs/dbraw/zinc/31/04/47/900310447.db2.gz KDTBQBOFWCMZKO-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@@H]1CN(C)C[C@@H]1[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000722243108 900638180 /nfs/dbraw/zinc/63/81/80/900638180.db2.gz GELKZPNVCYIIFG-JLVJUDLZSA-N 2 0 253.434 1.789 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)N2CCCCCC2)CC[C@@H]1C[NH3+] ZINC000122292438 901056026 /nfs/dbraw/zinc/05/60/26/901056026.db2.gz DRPFMOAHULIXBM-ZIAGYGMSSA-N 2 0 267.417 1.306 10 0 CDAERP O[C@H](C[NH2+]C[C@@H]1CC[C@H](C(F)(F)F)O1)C[NH+]1CCCC1 ZINC000722400629 901330706 /nfs/dbraw/zinc/33/07/06/901330706.db2.gz JVEXLEGXSJSHFC-GRYCIOLGSA-N 2 0 296.333 1.143 10 0 CDAERP CCC[N@H+](C)CCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001268254848 901677979 /nfs/dbraw/zinc/67/79/79/901677979.db2.gz FJGXANAMLYBGFT-CYBMUJFWSA-N 2 0 255.406 1.128 10 0 CDAERP C[N@H+](CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CCCF)C1CCC1 ZINC001268281166 901737285 /nfs/dbraw/zinc/73/72/85/901737285.db2.gz UZYHBFFIHLGQHP-UKRRQHHQSA-N 2 0 299.434 1.705 10 0 CDAERP C(COC1CCOCC1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000925878626 901973467 /nfs/dbraw/zinc/97/34/67/901973467.db2.gz XKLASGDQZCWWJQ-MGPQQGTHSA-N 2 0 268.401 1.160 10 0 CDAERP CC[C@H](C[NH2+]CC[C@@H](C)NC(=O)C1CC[NH+](C)CC1)OC ZINC001268396387 901994363 /nfs/dbraw/zinc/99/43/63/901994363.db2.gz IUDWGMJWGYLWEY-UKRRQHHQSA-N 2 0 299.459 1.238 10 0 CDAERP CC[NH2+]CC[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001268425758 902040965 /nfs/dbraw/zinc/04/09/65/902040965.db2.gz HNTLZIWIEWVZPK-ZDUSSCGKSA-N 2 0 255.406 1.367 10 0 CDAERP CCN(CC[NH2+]CC[C@@H](C)F)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001268479046 902296026 /nfs/dbraw/zinc/29/60/26/902296026.db2.gz CHDJVCDNXVBRIT-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@H]1CC[C@H]([NH2+]C/C=C/Cl)CC1 ZINC001482026106 902483242 /nfs/dbraw/zinc/48/32/42/902483242.db2.gz QNYOCTZANXLRRN-GGBYWCDOSA-N 2 0 299.846 1.852 10 0 CDAERP CC(C)[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001268601626 902807101 /nfs/dbraw/zinc/80/71/01/902807101.db2.gz DCQWTKACNKDSOX-WCYDHSITSA-N 2 0 279.428 1.674 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001268701812 902989425 /nfs/dbraw/zinc/98/94/25/902989425.db2.gz HKHIUYMTRSHXIF-STQMWFEESA-N 2 0 269.433 1.469 10 0 CDAERP CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001268771648 903107497 /nfs/dbraw/zinc/10/74/97/903107497.db2.gz NRGGUNGHHQRUPN-CHWSQXEVSA-N 2 0 255.406 1.223 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]CC1CC1 ZINC001268804668 903142330 /nfs/dbraw/zinc/14/23/30/903142330.db2.gz HWLXBTPCYLNFGJ-MRXNPFEDSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[NH2+][C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001270017742 904276358 /nfs/dbraw/zinc/27/63/58/904276358.db2.gz KDKLIIRYLBOGJA-JOCQHMNTSA-N 2 0 255.406 1.364 10 0 CDAERP CC[NH2+]CCC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001485745591 917252244 /nfs/dbraw/zinc/25/22/44/917252244.db2.gz WDHHHZSOFKGHQQ-STQMWFEESA-N 2 0 255.406 1.223 10 0 CDAERP COc1cccc(CN(C)C2(C[NH3+])CCOCC2)c1 ZINC000048893639 905027815 /nfs/dbraw/zinc/02/78/15/905027815.db2.gz PGPBVHSMOCBDOJ-UHFFFAOYSA-N 2 0 264.369 1.635 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC1CC1 ZINC001482370356 905220746 /nfs/dbraw/zinc/22/07/46/905220746.db2.gz VNMZEBZVMJLQNF-ZFWWWQNUSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC1CCC1 ZINC001482517860 906741404 /nfs/dbraw/zinc/74/14/04/906741404.db2.gz LTDBWXNKARQSGE-GJZGRUSLSA-N 2 0 281.444 1.611 10 0 CDAERP CCOC(=O)[C@@H]1C[C@H]1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000929276699 921325881 /nfs/dbraw/zinc/32/58/81/921325881.db2.gz QAWLMPFNNJJFHN-JKSUJKDBSA-N 2 0 294.439 1.993 10 0 CDAERP C[C@@H](CC[NH2+]Cc1ccccc1F)NC(=O)CC[NH+](C)C ZINC001272995180 921363343 /nfs/dbraw/zinc/36/33/43/921363343.db2.gz VZNQLTCAGPDYLD-ZDUSSCGKSA-N 2 0 295.402 1.762 10 0 CDAERP CN(CC[N@H+](C)CCCF)C(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001482633281 908087268 /nfs/dbraw/zinc/08/72/68/908087268.db2.gz BYMHWDKRGOYXEB-LSDHHAIUSA-N 2 0 299.434 1.753 10 0 CDAERP CCOCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001567939571 1169083034 /nfs/dbraw/zinc/08/30/34/1169083034.db2.gz SWEXYXRHQHUVKH-LSDHHAIUSA-N 2 0 299.459 1.286 10 0 CDAERP CC(C)[N@H+](C)CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001273578091 921406173 /nfs/dbraw/zinc/40/61/73/921406173.db2.gz LHWPHSXKEWFATC-UHFFFAOYSA-N 2 0 267.417 1.271 10 0 CDAERP C[N@@H+]1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CCC1(C)C ZINC000712624509 909574491 /nfs/dbraw/zinc/57/44/91/909574491.db2.gz FWZIMIUPEUWCNA-NEPJUHHUSA-N 2 0 253.390 1.057 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NCC[C@H](C)[NH+](C)C ZINC000713010368 909602310 /nfs/dbraw/zinc/60/23/10/909602310.db2.gz QTKJBGGXTQKWOQ-RYUDHWBXSA-N 2 0 257.422 1.452 10 0 CDAERP CC1(C)CCC[C@@H](C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)O1 ZINC000714384955 909735661 /nfs/dbraw/zinc/73/56/61/909735661.db2.gz KSLBYUXALJPMSV-GJZGRUSLSA-N 2 0 281.444 1.314 10 0 CDAERP C[NH+](C)C1(C)CCC([NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000715539029 910013170 /nfs/dbraw/zinc/01/31/70/910013170.db2.gz AZQLSPKPGXLCIN-HWOWSKLDSA-N 3 0 283.460 1.296 10 0 CDAERP O[C@H](C[NH2+]C[C@@H]1CCC2(CCC2)CO1)C[NH+]1CCCC1 ZINC000716531312 910660864 /nfs/dbraw/zinc/66/08/64/910660864.db2.gz BXZRSLMWTYWSQT-CABCVRRESA-N 2 0 282.428 1.382 10 0 CDAERP CCCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001507077151 910720234 /nfs/dbraw/zinc/72/02/34/910720234.db2.gz BWKQEXAOOQYSEB-QLFBSQMISA-N 2 0 283.460 1.953 10 0 CDAERP C[C@H](C[N@H+](C)CC1CC1)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001483339031 910928059 /nfs/dbraw/zinc/92/80/59/910928059.db2.gz BROCLFTXRMJECO-YRGRVCCFSA-N 2 0 267.417 1.173 10 0 CDAERP CC(C)CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001483339326 910930650 /nfs/dbraw/zinc/93/06/50/910930650.db2.gz FYQBAOPGFBYPHQ-RRFJBIMHSA-N 2 0 283.460 1.809 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001568151506 1169148583 /nfs/dbraw/zinc/14/85/83/1169148583.db2.gz AZRZIPQIWLIGEH-UONOGXRCSA-N 2 0 267.417 1.175 10 0 CDAERP C[NH+](C)CCC(=O)NC1(C)CC[NH+](CC2CCC2)CC1 ZINC001483970646 915246155 /nfs/dbraw/zinc/24/61/55/915246155.db2.gz HCAKGODALGORMD-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[N@@H+]1CC[C@](C)(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001484066950 915376190 /nfs/dbraw/zinc/37/61/90/915376190.db2.gz DUPSQBMCLQKVMU-HIFRSBDPSA-N 2 0 267.417 1.319 10 0 CDAERP CCO[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)C[NH+](C)C ZINC000922753800 921787520 /nfs/dbraw/zinc/78/75/20/921787520.db2.gz JXPBOASTFACLDA-SOUVJXGZSA-N 2 0 269.433 1.170 10 0 CDAERP CC/C=C\CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001272688332 916027916 /nfs/dbraw/zinc/02/79/16/916027916.db2.gz JHVZKGUQJVWNKQ-LUNKNMTDSA-N 2 0 281.444 1.921 10 0 CDAERP CN(CCC[N@H+](C)CC1CC1)C(=O)C12CC[NH+](CC1)C2 ZINC001484765349 916131522 /nfs/dbraw/zinc/13/15/22/916131522.db2.gz CCPMHDZRMQTFGS-UHFFFAOYSA-N 2 0 279.428 1.273 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001485002229 916367733 /nfs/dbraw/zinc/36/77/33/916367733.db2.gz GZFMIMPDPMBXRT-KBPBESRZSA-N 2 0 267.417 1.389 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCC1CC1 ZINC001485035462 916412630 /nfs/dbraw/zinc/41/26/30/916412630.db2.gz BCNVNXYKUVDCHZ-HOTGVXAUSA-N 2 0 293.455 1.851 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)[NH2+]CCC(F)(F)F ZINC001485205391 916670895 /nfs/dbraw/zinc/67/08/95/916670895.db2.gz BJDJGSBEEVYHBP-MNOVXSKESA-N 2 0 297.365 1.763 10 0 CDAERP CCCC[N@H+](C)[C@@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001485373889 916909889 /nfs/dbraw/zinc/90/98/89/916909889.db2.gz YOLVZRBEDPLEQY-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)[NH2+]CC1(NC(=O)CC[NH+](C)C)CCCCC1 ZINC001485455546 916980543 /nfs/dbraw/zinc/98/05/43/916980543.db2.gz YXZPQDUANPSUAK-UHFFFAOYSA-N 2 0 269.433 1.755 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC[C@@H](C)F)C1)[NH+](C)C ZINC001490901993 936679632 /nfs/dbraw/zinc/67/96/32/936679632.db2.gz JIEQNVQTMVWJPR-SYQHCUMBSA-N 2 0 287.423 1.558 10 0 CDAERP CN(C(=O)C12CCC[NH+]1CCC2)C1CC([NH2+]CCCF)C1 ZINC001486471140 921054378 /nfs/dbraw/zinc/05/43/78/921054378.db2.gz ONNJPNYOLAEDRT-UHFFFAOYSA-N 2 0 297.418 1.553 10 0 CDAERP O[C@@H](C[NH2+]C[C@H]1CCC2(CCC2)O1)C[NH+]1CCCC1 ZINC000711479669 923617883 /nfs/dbraw/zinc/61/78/83/923617883.db2.gz XIRHXRFZXBEZFI-UONOGXRCSA-N 2 0 268.401 1.134 10 0 CDAERP CCS[C@@H]1CC[C@H]([N@H+](C)C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923314395 923730083 /nfs/dbraw/zinc/73/00/83/923730083.db2.gz HAXNLDQAZXRZGY-BFHYXJOUSA-N 2 0 284.469 1.971 10 0 CDAERP [NH3+]CCC[N@@H+](Cc1ccccc1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923348883 923761567 /nfs/dbraw/zinc/76/15/67/923761567.db2.gz NAYXWKNGVFWFNB-MRXNPFEDSA-N 3 0 289.423 1.216 10 0 CDAERP C[C@]12C[NH2+]C[C@H]1CN(C[C@@H](O)c1ccc(F)cc1)C2 ZINC000923428214 923823342 /nfs/dbraw/zinc/82/33/42/923823342.db2.gz WYZZOJQCRXOVJO-NWANDNLSSA-N 2 0 264.344 1.400 10 0 CDAERP Cc1nocc1C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923445719 923831090 /nfs/dbraw/zinc/83/10/90/923831090.db2.gz YNMKOQCBDCYDEO-ZDUSSCGKSA-N 2 0 265.357 1.313 10 0 CDAERP c1csc(-c2nc(CN3CC[NH2+]CC[NH2+]CC3)co2)c1 ZINC000923463081 923850943 /nfs/dbraw/zinc/85/09/43/923850943.db2.gz PRVURYHUKCMGLR-UHFFFAOYSA-N 2 0 292.408 1.398 10 0 CDAERP Clc1cc(CN2CC[NH2+]CC[NH2+]CC2)cc2c1OCO2 ZINC000923463837 923851687 /nfs/dbraw/zinc/85/16/87/923851687.db2.gz HMTVOELFGTZBMU-UHFFFAOYSA-N 2 0 297.786 1.064 10 0 CDAERP C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(F)cc2)CC[C@H]1C[NH3+] ZINC000923490464 923874150 /nfs/dbraw/zinc/87/41/50/923874150.db2.gz CUCPJMPVPMQJMJ-IPYPFGDCSA-N 2 0 296.386 1.482 10 0 CDAERP COC[C@H](C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1)OC ZINC000923506618 923886960 /nfs/dbraw/zinc/88/69/60/923886960.db2.gz LFEUYJOORLKDKP-HOCLYGCPSA-N 2 0 284.444 1.750 10 0 CDAERP C[C@H](CC[NH2+]Cc1ccccn1)NC(=O)C[NH+]1CCCC1 ZINC001273184635 923914860 /nfs/dbraw/zinc/91/48/60/923914860.db2.gz SUXRXZNOYQJIGI-CQSZACIVSA-N 2 0 290.411 1.162 10 0 CDAERP C[C@H]([NH3+])C1CCN(C(=O)[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC001118260097 924058800 /nfs/dbraw/zinc/05/88/00/924058800.db2.gz BWINBKZDCZKEJF-CYZMBNFOSA-N 2 0 253.390 1.090 10 0 CDAERP C[C@@H](O)CCC[NH2+]C1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001491359838 936898300 /nfs/dbraw/zinc/89/83/00/936898300.db2.gz AARGHMJSSUUQGA-WLYUNCDWSA-N 2 0 299.459 1.116 10 0 CDAERP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC001119067308 925010062 /nfs/dbraw/zinc/01/00/62/925010062.db2.gz HFBJRZKSTHMOCY-MCZMQQNQSA-N 2 0 265.401 1.103 10 0 CDAERP CCN(CC[NH2+]C[C@H]1CC[C@@H](C)O1)C(=O)C[NH+]1CCCC1 ZINC001273752022 925213655 /nfs/dbraw/zinc/21/36/55/925213655.db2.gz CSJDPFSQLWSECX-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001410224085 925418188 /nfs/dbraw/zinc/41/81/88/925418188.db2.gz NNWQIWRHENEAGQ-APIJFGDWSA-N 2 0 299.434 1.561 10 0 CDAERP CCN(CC[NH2+]C[C@@H]1CCCCO1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001273297936 925760056 /nfs/dbraw/zinc/76/00/56/925760056.db2.gz DTRDKYKGTWHNAA-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP [NH3+]CCCCCCC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000842475032 937058318 /nfs/dbraw/zinc/05/83/18/937058318.db2.gz IATUGETZESSIAW-OAHLLOKOSA-N 3 0 253.434 1.971 10 0 CDAERP C[C@@H](O)CCC[NH2+][C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001491545258 937061767 /nfs/dbraw/zinc/06/17/67/937061767.db2.gz AYMSTMHQBJHECE-ZIAGYGMSSA-N 2 0 299.459 1.116 10 0 CDAERP CC[NH+](CC)CC[C@H](CO)NC[C@@H](O)c1cccc(F)c1 ZINC000843100642 937112354 /nfs/dbraw/zinc/11/23/54/937112354.db2.gz DVWHJRWWUUMOID-HZPDHXFCSA-N 2 0 298.402 1.542 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(C)C)[C@@H]1C ZINC001489305821 926862820 /nfs/dbraw/zinc/86/28/20/926862820.db2.gz XETMLXGBDSDJPU-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP C[N@@H+](C/C=C/Cl)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001490233673 927040713 /nfs/dbraw/zinc/04/07/13/927040713.db2.gz PLCXZSNTQXJLMY-RPTYSRGTSA-N 2 0 273.808 1.271 10 0 CDAERP C[N@H+](CCCNC(=O)CC1CC[NH+](C)CC1)CCC1CC1 ZINC001490256697 927061752 /nfs/dbraw/zinc/06/17/52/927061752.db2.gz UIFKNUKYIBWFGY-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CC[C@@H](C(=O)NCCC[N@H+](C)Cc1ocnc1C)[NH+](C)C ZINC001490271803 927075136 /nfs/dbraw/zinc/07/51/36/927075136.db2.gz QBFMZHFELLFPSV-ZDUSSCGKSA-N 2 0 296.415 1.261 10 0 CDAERP CCCCCCNC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000843387329 937144859 /nfs/dbraw/zinc/14/48/59/937144859.db2.gz SXKIEGUUUHNQNM-GASCZTMLSA-N 2 0 281.444 1.614 10 0 CDAERP C[N@H+](CCF)C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001490774404 927336283 /nfs/dbraw/zinc/33/62/83/927336283.db2.gz BDHLHIPRTFASLH-AWEZNQCLSA-N 2 0 297.418 1.222 10 0 CDAERP COCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001440629256 927363235 /nfs/dbraw/zinc/36/32/35/927363235.db2.gz ZHZGPCJPHGWQRQ-CQSZACIVSA-N 2 0 299.459 1.190 10 0 CDAERP C[N@@H+]1CCN(CC[NH2+]Cc2ccoc2)CC1(C)C ZINC000110757639 927832035 /nfs/dbraw/zinc/83/20/35/927832035.db2.gz LKJCGYSVRATULU-UHFFFAOYSA-N 2 0 251.374 1.395 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)C=C1CC[NH2+]CC1 ZINC000852858782 927897567 /nfs/dbraw/zinc/89/75/67/927897567.db2.gz HBSIQVAKLHNONS-CYBMUJFWSA-N 2 0 265.401 1.287 10 0 CDAERP O=C(NC[C@H]1[NH2+]CCc2ccccc21)C1([NH2+]C2CC2)CCC1 ZINC000852880262 927905887 /nfs/dbraw/zinc/90/58/87/927905887.db2.gz LICDRILOCRRMMP-MRXNPFEDSA-N 2 0 299.418 1.664 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000854229823 928173394 /nfs/dbraw/zinc/17/33/94/928173394.db2.gz XZAHOBWDWPYERA-UTUOFQBUSA-N 2 0 262.344 1.908 10 0 CDAERP C[C@H](CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH+](C)C ZINC000855417702 928409877 /nfs/dbraw/zinc/40/98/77/928409877.db2.gz NIZMRJZFOGSRKE-IUODEOHRSA-N 2 0 287.423 1.655 10 0 CDAERP COCC1(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC1 ZINC000693705752 937250602 /nfs/dbraw/zinc/25/06/02/937250602.db2.gz NEYHABBOCIIRDY-FRRDWIJNSA-N 2 0 252.402 1.779 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCc2nnc3ccccn32)[C@@H]2CCC[C@@H]21 ZINC000796673280 937311154 /nfs/dbraw/zinc/31/11/54/937311154.db2.gz ASQFJNIULYAKRM-KKUMJFAQSA-N 2 0 299.422 1.734 10 0 CDAERP CC[C@H]1C[C@H](C[NH2+]CC2([NH3+])CCOCC2)CCO1 ZINC000863482012 929558632 /nfs/dbraw/zinc/55/86/32/929558632.db2.gz PPPFVCFRTFKVDL-OLZOCXBDSA-N 2 0 256.390 1.289 10 0 CDAERP CCOC(=O)C1=CC[C@H]([NH2+][C@@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000863544388 929567550 /nfs/dbraw/zinc/56/75/50/929567550.db2.gz SGIPTMUJLGOELV-KWCYVHTRSA-N 2 0 266.385 1.616 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000863545863 929568640 /nfs/dbraw/zinc/56/86/40/929568640.db2.gz IDOPAUWQAAUQMU-UTUOFQBUSA-N 2 0 276.471 1.321 10 0 CDAERP CC[NH+](CC)C[C@H]1CC[N@H+](CCC(=O)N(C)OC)C1 ZINC000799124359 937377929 /nfs/dbraw/zinc/37/79/29/937377929.db2.gz RZAIMBNILWNWDR-CYBMUJFWSA-N 2 0 271.405 1.060 10 0 CDAERP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]CCC[NH3+])C1 ZINC000817939128 930638124 /nfs/dbraw/zinc/63/81/24/930638124.db2.gz ZJHAMUCGKXKVQV-MNOVXSKESA-N 2 0 278.343 1.682 10 0 CDAERP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@@H](O)C2CC2)C1 ZINC000818959666 930743032 /nfs/dbraw/zinc/74/30/32/930743032.db2.gz QFDRXLBTFCONKC-UKRRQHHQSA-N 2 0 254.418 1.859 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@@H](C)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001319490311 931214104 /nfs/dbraw/zinc/21/41/04/931214104.db2.gz BXTMBSPZCHGNDP-ZIAGYGMSSA-N 2 0 299.434 1.799 10 0 CDAERP C[C@H]1[NH2+]CC[C@@H]1c1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000823168385 931268960 /nfs/dbraw/zinc/26/89/60/931268960.db2.gz UEALEWJGDURUCG-SKDRFNHKSA-N 2 0 269.308 1.850 10 0 CDAERP C[C@H]1[NH2+]CC[C@H]1c1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000823168373 931269577 /nfs/dbraw/zinc/26/95/77/931269577.db2.gz UEALEWJGDURUCG-BXKDBHETSA-N 2 0 269.308 1.850 10 0 CDAERP C[C@H](CC[NH2+]CCF)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001320560600 931515376 /nfs/dbraw/zinc/51/53/76/931515376.db2.gz CETSOKJBMWTSQI-ZIAGYGMSSA-N 2 0 287.423 1.705 10 0 CDAERP O=C(CC[NH+]1CCCCC1)NC/C=C\C[NH2+]CC1CC1 ZINC001274608016 931518526 /nfs/dbraw/zinc/51/85/26/931518526.db2.gz CIPGECCQBDTSJP-IHWYPQMZSA-N 2 0 279.428 1.534 10 0 CDAERP COCCC[NH2+][C@H](C)[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001275432792 931790520 /nfs/dbraw/zinc/79/05/20/931790520.db2.gz FRWCXBHBOUQMKG-ZIAGYGMSSA-N 2 0 297.443 1.134 10 0 CDAERP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+](C(C)C)C2)C1 ZINC001411664199 931948203 /nfs/dbraw/zinc/94/82/03/931948203.db2.gz CUFDHGLZWYFVHF-LSDHHAIUSA-N 2 0 281.444 1.565 10 0 CDAERP [NH3+]CCCCCC[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000846219904 931996020 /nfs/dbraw/zinc/99/60/20/931996020.db2.gz BPEBAODTPCVZJK-INIZCTEOSA-N 2 0 283.460 1.692 10 0 CDAERP [NH3+]CCCCCC[NH+]1CCC(Cn2cnnc2)CC1 ZINC000846224576 931996696 /nfs/dbraw/zinc/99/66/96/931996696.db2.gz RHINFHNUBNVFAB-UHFFFAOYSA-N 2 0 265.405 1.509 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CC[N@H+](C)C(C)(C)C2)C1 ZINC001412041859 932230408 /nfs/dbraw/zinc/23/04/08/932230408.db2.gz JEVFBERALGREQW-ZIAGYGMSSA-N 2 0 281.444 1.659 10 0 CDAERP C[NH2+]CCCCC(=O)N(CC[NH+](C)C)CC(C)C ZINC000719742085 932469928 /nfs/dbraw/zinc/46/99/28/932469928.db2.gz HDUXUFHBOYMGEA-UHFFFAOYSA-N 2 0 257.422 1.422 10 0 CDAERP C[C@@H]1OC[C@@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)[C@@H]1C ZINC000924630809 932805416 /nfs/dbraw/zinc/80/54/16/932805416.db2.gz AYDNKPCHNMIURG-VNHYZAJKSA-N 2 0 269.433 1.025 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CCCN2CCCC[C@H]12)N1CC[NH+](C)CC1 ZINC000924964249 932837408 /nfs/dbraw/zinc/83/74/08/932837408.db2.gz JWKOUEZUHJQTEY-BRWVUGGUSA-N 2 0 294.487 1.229 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)C(C)(C)CO ZINC000925242134 932862446 /nfs/dbraw/zinc/86/24/46/932862446.db2.gz WJDDDGGGHATQPL-QWHCGFSZSA-N 2 0 260.422 1.340 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCN2CCSCC2)C1 ZINC000925481272 932891465 /nfs/dbraw/zinc/89/14/65/932891465.db2.gz IWDDOQCKHHUJQA-QWHCGFSZSA-N 2 0 271.474 1.531 10 0 CDAERP COCC[N@H+](C)CCCN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925541067 932901866 /nfs/dbraw/zinc/90/18/66/932901866.db2.gz AEUXGYDYNHZPFQ-IAGOWNOFSA-N 2 0 297.487 1.713 10 0 CDAERP CN(CC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)c1ccccc1 ZINC000925538226 932902041 /nfs/dbraw/zinc/90/20/41/932902041.db2.gz PUVXQKXRSAIWSE-LSDHHAIUSA-N 2 0 259.397 1.982 10 0 CDAERP [NH3+][C@H]1C[C@H]([NH2+]CCOCC(F)(F)C(F)F)C12CCC2 ZINC000925651435 932922093 /nfs/dbraw/zinc/92/20/93/932922093.db2.gz CJDNDZBPNPTVKO-IUCAKERBSA-N 2 0 284.297 1.763 10 0 CDAERP COC(=O)N1CCC(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925670549 932924670 /nfs/dbraw/zinc/92/46/70/932924670.db2.gz MBCSGZGGKABPEI-KGLIPLIRSA-N 2 0 297.443 1.960 10 0 CDAERP C[C@@]1(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CCC(=O)N1 ZINC000925684302 932926871 /nfs/dbraw/zinc/92/68/71/932926871.db2.gz GUGFWTLBGOWIMS-GYSYKLTISA-N 2 0 253.390 1.151 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925702024 932929530 /nfs/dbraw/zinc/92/95/30/932929530.db2.gz JKVNYGHDOYRMLF-XDQVBPFNSA-N 3 0 253.434 1.822 10 0 CDAERP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cn1 ZINC000925775876 932938246 /nfs/dbraw/zinc/93/82/46/932938246.db2.gz HWOMMVBDCATGSI-AAEUAGOBSA-N 2 0 299.365 1.856 10 0 CDAERP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccnc(Cl)c1 ZINC000925809519 932940515 /nfs/dbraw/zinc/94/05/15/932940515.db2.gz JMDGSKRPNQNLCT-LLVKDONJSA-N 2 0 282.819 1.809 10 0 CDAERP C[C@@H]1CCC[C@@H]([NH2+]CCN2CCC([NH3+])CC2)[C@H]1C ZINC000925813556 932941336 /nfs/dbraw/zinc/94/13/36/932941336.db2.gz WAEHZCXWTMAZAY-VNHYZAJKSA-N 2 0 253.434 1.824 10 0 CDAERP CN1C[C@H](CC[NH2+][C@@H]2CC[NH2+]C23CCCC3)CC1=O ZINC000925814209 932941941 /nfs/dbraw/zinc/94/19/41/932941941.db2.gz YSCBIEXZCSPNDC-CHWSQXEVSA-N 2 0 265.401 1.119 10 0 CDAERP C[C@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)C1C[NH2+]C1 ZINC000925832697 932943415 /nfs/dbraw/zinc/94/34/15/932943415.db2.gz DKMZPKMRFUNFHC-WCBMZHEXSA-N 2 0 253.312 1.067 10 0 CDAERP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925840498 932944473 /nfs/dbraw/zinc/94/44/73/932944473.db2.gz MMEUJTMVZKJESD-KBUPBQIOSA-N 3 0 251.418 1.626 10 0 CDAERP CC[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)[C@@H]1C[C@H]1C ZINC000925848279 932945925 /nfs/dbraw/zinc/94/59/25/932945925.db2.gz DQIDPJKFKZIBFL-RQJABVFESA-N 2 0 280.412 1.696 10 0 CDAERP C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925846018 932945966 /nfs/dbraw/zinc/94/59/66/932945966.db2.gz MYFXEYXXNIOEOD-QKPAOTATSA-N 2 0 263.429 1.735 10 0 CDAERP Cn1nnc2c1C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)CC2 ZINC000925892939 932949644 /nfs/dbraw/zinc/94/96/44/932949644.db2.gz ICZDLXLALLAZIV-UTUOFQBUSA-N 2 0 277.416 1.168 10 0 CDAERP C[NH+](C)CCCCC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928095580 933118622 /nfs/dbraw/zinc/11/86/22/933118622.db2.gz OGBUATWOXXWRQI-ZIAGYGMSSA-N 2 0 299.484 1.414 10 0 CDAERP C/C=C/C[C@@H]1CCC[N@H+](CC(=O)N2CC[NH2+]CC2)C1 ZINC001118896469 937675772 /nfs/dbraw/zinc/67/57/72/937675772.db2.gz AMXXZYFWVVYQJY-BAABZTOOSA-N 2 0 265.401 1.096 10 0 CDAERP C/C=C\C[C@@H]1CCC[N@H+](CC(=O)N2CC[NH2+]CC2)C1 ZINC001118896471 937676099 /nfs/dbraw/zinc/67/60/99/937676099.db2.gz AMXXZYFWVVYQJY-PYLYLYNFSA-N 2 0 265.401 1.096 10 0 CDAERP Cn1cc(CC[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)cn1 ZINC001119699585 937748668 /nfs/dbraw/zinc/74/86/68/937748668.db2.gz UQNCPYJNGYLGJZ-RDBSUJKOSA-N 2 0 262.401 1.329 10 0 CDAERP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001490857588 934570267 /nfs/dbraw/zinc/57/02/67/934570267.db2.gz PRLGLLJWKZMAKV-OKQSBHACSA-N 2 0 293.455 1.875 10 0 CDAERP C[NH+](C)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCCC2)CC1 ZINC001412829833 934598161 /nfs/dbraw/zinc/59/81/61/934598161.db2.gz NCFUEQKXFVDHCV-CQSZACIVSA-N 2 0 281.444 1.804 10 0 CDAERP C[N@@H+]1CCC[C@@H]2CN(C[C@]3(C)CC[NH2+]C3)CC[C@@H]21 ZINC000250793055 934997644 /nfs/dbraw/zinc/99/76/44/934997644.db2.gz KKKOQXJXXZHGSB-QLFBSQMISA-N 3 0 251.418 1.402 10 0 CDAERP CN(CCC[NH+]1CCCC1)C(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001412885298 935075560 /nfs/dbraw/zinc/07/55/60/935075560.db2.gz YITFKLQXDNXLQY-AWEZNQCLSA-N 2 0 285.407 1.365 10 0 CDAERP C[NH+](C)C1(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CCCC1 ZINC001413020897 935176206 /nfs/dbraw/zinc/17/62/06/935176206.db2.gz LUTOTTKGLDNIHL-OAHLLOKOSA-N 2 0 279.428 1.415 10 0 CDAERP COCCCC[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720816061 935250365 /nfs/dbraw/zinc/25/03/65/935250365.db2.gz MPYBPSJKCOVSCK-ZJUUUORDSA-N 2 0 254.296 1.482 10 0 CDAERP C[NH2+]CC1CC[NH+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)CC1 ZINC000720879349 935259760 /nfs/dbraw/zinc/25/97/60/935259760.db2.gz JDCSKYLPPFNPMI-SOUVJXGZSA-N 2 0 252.402 1.875 10 0 CDAERP C[N@H+](CCCCCC[NH3+])C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000724594299 935777541 /nfs/dbraw/zinc/77/75/41/935777541.db2.gz MTLIGUBETOXQNC-IHRRRGAJSA-N 2 0 256.390 1.241 10 0 CDAERP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)C1CC[NH2+]CC1 ZINC000400639283 940853399 /nfs/dbraw/zinc/85/33/99/940853399.db2.gz NQMVADJENDDFFW-STQMWFEESA-N 3 0 253.434 1.694 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC2CC[NH+](C)CC2)C1 ZINC001362013952 970775491 /nfs/dbraw/zinc/77/54/91/970775491.db2.gz ZLZSFLXVEBVQJJ-HUUCEWRRSA-N 2 0 281.444 1.565 10 0 CDAERP CC1CC(C[NH2+]C2(CNC(=O)CC[NH+](C)C)CC2)C1 ZINC001277165093 942092552 /nfs/dbraw/zinc/09/25/52/942092552.db2.gz SXKDDVYWNLAXHN-UHFFFAOYSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)C[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001277225234 942195592 /nfs/dbraw/zinc/19/55/92/942195592.db2.gz QUMQCUZWHMTKHY-ZDUSSCGKSA-N 2 0 267.417 1.223 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC001362098314 970882521 /nfs/dbraw/zinc/88/25/21/970882521.db2.gz VHPCIBOWYXYTSP-HOCLYGCPSA-N 2 0 293.455 1.804 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]CCCF ZINC001281713683 942612781 /nfs/dbraw/zinc/61/27/81/942612781.db2.gz ATAAMKVGBAOLIX-UONOGXRCSA-N 2 0 287.423 1.703 10 0 CDAERP COCC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001282549212 942729305 /nfs/dbraw/zinc/72/93/05/942729305.db2.gz HQXPOZHBMFIQGS-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP CCC[NH+]1CC([C@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001282745180 942749386 /nfs/dbraw/zinc/74/93/86/942749386.db2.gz VDSUQEAASKHSQA-OLZOCXBDSA-N 2 0 267.417 1.175 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CCCF)C1)[NH+](C)C ZINC001283052192 942812342 /nfs/dbraw/zinc/81/23/42/942812342.db2.gz LDERKXWNAKHYJG-JHJVBQTASA-N 2 0 273.396 1.171 10 0 CDAERP COCCC[NH2+][C@@H](C)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001283679106 942965613 /nfs/dbraw/zinc/96/56/13/942965613.db2.gz UOOLCKGVXGCOKR-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP CC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)[C@@H]1C ZINC001283940160 943032857 /nfs/dbraw/zinc/03/28/57/943032857.db2.gz PGFSEUJXDBOWOO-HUUCEWRRSA-N 2 0 281.444 1.851 10 0 CDAERP C[N@@H+]1CCCC12CCN(C(=O)CC[NH+]1CC[C@@H](F)C1)CC2 ZINC001362226301 971039806 /nfs/dbraw/zinc/03/98/06/971039806.db2.gz JMZPIDMGDPZTBP-CQSZACIVSA-N 2 0 297.418 1.507 10 0 CDAERP CC[C@@H](F)C[NH2+][C@@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001277922150 944051372 /nfs/dbraw/zinc/05/13/72/944051372.db2.gz LYISLDXOOCXDJL-NWDGAFQWSA-N 2 0 261.385 1.123 10 0 CDAERP CCCCC[NH2+][C@@H](C)CN(C)C(=O)Cc1cnc[nH]1 ZINC001277946457 944160425 /nfs/dbraw/zinc/16/04/25/944160425.db2.gz WEOLBWXOUOVHNA-LBPRGKRZSA-N 2 0 266.389 1.579 10 0 CDAERP CC[N@@H+]1CCCN(C(=O)c2ccc(CN(C)C)o2)CC1 ZINC001362241848 971059633 /nfs/dbraw/zinc/05/96/33/971059633.db2.gz JKOGNTYMBNWQAZ-UHFFFAOYSA-N 2 0 279.384 1.509 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCCC[NH+](C)C[C@@H]1CCCOC1 ZINC001265072636 944220159 /nfs/dbraw/zinc/22/01/59/944220159.db2.gz AJTMYACIYJZZGD-HNNXBMFYSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)CC[N@H+](C)CCCNC(=O)C[NH+]1CCCC1 ZINC001265974484 944608219 /nfs/dbraw/zinc/60/82/19/944608219.db2.gz OSIURKIFTKTDMV-UHFFFAOYSA-N 2 0 269.433 1.566 10 0 CDAERP CCCCC[NH2+]C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001266008680 944626309 /nfs/dbraw/zinc/62/63/09/944626309.db2.gz HGNPFPLLGVBETN-HNNXBMFYSA-N 2 0 295.471 1.957 10 0 CDAERP CCC[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001266023131 944638940 /nfs/dbraw/zinc/63/89/40/944638940.db2.gz FULSDGCESKDGDJ-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001279204455 944784341 /nfs/dbraw/zinc/78/43/41/944784341.db2.gz MYMWMRVZKWFMFQ-JKSUJKDBSA-N 2 0 295.471 1.977 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000722526910 945039860 /nfs/dbraw/zinc/03/98/60/945039860.db2.gz SPWIGLLEGFHOPW-HZSPNIEDSA-N 2 0 267.417 1.032 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC2([NH+](C)C)CCC2)C1 ZINC001362356837 971185733 /nfs/dbraw/zinc/18/57/33/971185733.db2.gz SQIINZLRYIIOLE-UONOGXRCSA-N 2 0 281.444 1.707 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC2([NH+](C)C)CCC2)C1 ZINC001362356825 971185788 /nfs/dbraw/zinc/18/57/88/971185788.db2.gz SQIINZLRYIIOLE-KBPBESRZSA-N 2 0 281.444 1.707 10 0 CDAERP CCOCCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]1C ZINC001278324074 946153224 /nfs/dbraw/zinc/15/32/24/946153224.db2.gz BZAWXXSYLXUSQZ-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)=CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C ZINC001278325068 946165374 /nfs/dbraw/zinc/16/53/74/946165374.db2.gz HKVTVYVQRQTHJC-LSDHHAIUSA-N 2 0 279.428 1.627 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CCCF ZINC001568903052 1169542110 /nfs/dbraw/zinc/54/21/10/1169542110.db2.gz UCCDVCHKUMEFCI-OOPCZODUSA-N 2 0 271.380 1.092 10 0 CDAERP C[NH+](C)CCC(=O)NC/C=C\C[NH2+]CC1=CCCCC1 ZINC001568912344 1169546409 /nfs/dbraw/zinc/54/64/09/1169546409.db2.gz NTEQEQCTSBBDQE-SREVYHEPSA-N 2 0 279.428 1.701 10 0 CDAERP CC(C)[N@H+](C)C[C@@H](C)NC(=O)CC[NH+]1CC[C@H](F)C1 ZINC001362520539 971364899 /nfs/dbraw/zinc/36/48/99/971364899.db2.gz HABKOHLQTCVKEE-OLZOCXBDSA-N 2 0 273.396 1.265 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC2CCC2)[C@@H]1C)[NH+](C)C ZINC001479709734 971378951 /nfs/dbraw/zinc/37/89/51/971378951.db2.gz NZEIXZWRMUPYRH-VHDGCEQUSA-N 2 0 281.444 1.706 10 0 CDAERP C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1cncs1 ZINC001479762298 971401450 /nfs/dbraw/zinc/40/14/50/971401450.db2.gz MDHGNSDUVQQGBJ-CYBMUJFWSA-N 2 0 296.440 1.175 10 0 CDAERP Cc1ncoc1C[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001479763007 971403120 /nfs/dbraw/zinc/40/31/20/971403120.db2.gz ZXZZFOHTGJHXAZ-CYBMUJFWSA-N 2 0 294.399 1.015 10 0 CDAERP C[C@@H]([NH2+]CCCF)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001279006042 948562875 /nfs/dbraw/zinc/56/28/75/948562875.db2.gz IGHLDKPZSOAHAN-ZIAGYGMSSA-N 2 0 299.434 1.657 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CC12CC[NH+](CC1CC1)CC2 ZINC001479984337 971523138 /nfs/dbraw/zinc/52/31/38/971523138.db2.gz APJANFWFWLVETO-CQSZACIVSA-N 2 0 279.428 1.319 10 0 CDAERP CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](F)C[NH+](CC)CC ZINC001480096104 971574095 /nfs/dbraw/zinc/57/40/95/971574095.db2.gz KURZBHGPRKNBCT-QLFBSQMISA-N 2 0 299.434 1.752 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]([NH2+]CC2CC2)C1 ZINC001480144019 971600092 /nfs/dbraw/zinc/60/00/92/971600092.db2.gz UKLPFWNUFDQMHP-RBSFLKMASA-N 2 0 279.428 1.508 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001480152360 971604921 /nfs/dbraw/zinc/60/49/21/971604921.db2.gz AHRQWTJOPPVTKU-MGPQQGTHSA-N 2 0 299.434 1.846 10 0 CDAERP CC[N@@H+]1CCCN(C(=O)C2([NH+](C)C)CCCC2)[C@H](C)C1 ZINC001362806871 971633124 /nfs/dbraw/zinc/63/31/24/971633124.db2.gz MSXBPVSVYMQBQZ-CQSZACIVSA-N 2 0 281.444 1.804 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001480233520 971640437 /nfs/dbraw/zinc/64/04/37/971640437.db2.gz DQBVRHGSFUIKNF-QLFBSQMISA-N 2 0 283.460 1.856 10 0 CDAERP Cc1nocc1C[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001480238543 971641498 /nfs/dbraw/zinc/64/14/98/971641498.db2.gz TWCSZUABMWTCLW-OKILXGFUSA-N 2 0 294.399 1.060 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@H]([NH+](C)C)C1(C)C)[NH+](CC)CC ZINC001362825483 971647615 /nfs/dbraw/zinc/64/76/15/971647615.db2.gz HANUTXSAULHQPF-RDBSUJKOSA-N 2 0 283.460 1.952 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001480367572 971690085 /nfs/dbraw/zinc/69/00/85/971690085.db2.gz MVPLTXYXMCYAOB-CABCVRRESA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CC[C@H](F)C2)C1 ZINC001362948286 971753002 /nfs/dbraw/zinc/75/30/02/971753002.db2.gz FPQYWXDKBCTKEQ-QWHCGFSZSA-N 2 0 285.407 1.409 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)CC[NH+]1CC[C@@H](F)C1 ZINC001362964492 971767569 /nfs/dbraw/zinc/76/75/69/971767569.db2.gz VHPWYPIEUWVQTF-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@]1(C)CC[NH+](CC2CC2)C1 ZINC001324672644 953509178 /nfs/dbraw/zinc/50/91/78/953509178.db2.gz JRNRQHMQXXSTCU-OAHLLOKOSA-N 2 0 267.417 1.317 10 0 CDAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CCOCC1CC1)CC2 ZINC001333530505 953943597 /nfs/dbraw/zinc/94/35/97/953943597.db2.gz XURRMISBBQOOBP-CQSZACIVSA-N 2 0 268.401 1.243 10 0 CDAERP C[NH+](C)CC1(C(=O)N2CC[C@H](CC[NH2+]CC3CC3)C2)CC1 ZINC001326351874 954334541 /nfs/dbraw/zinc/33/45/41/954334541.db2.gz WXVGRKLIJRCBOL-HNNXBMFYSA-N 2 0 293.455 1.566 10 0 CDAERP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@@H]3CCCC[C@H]3O)CC2)C1 ZINC001364358251 954497108 /nfs/dbraw/zinc/49/71/08/954497108.db2.gz HFFSSDLKAHCNQF-YESZJQIVSA-N 2 0 295.471 1.249 10 0 CDAERP CC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001328282003 955249876 /nfs/dbraw/zinc/24/98/76/955249876.db2.gz FUITUXZULFFSRO-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP CO[C@@H](C)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001493614091 972089669 /nfs/dbraw/zinc/08/96/69/972089669.db2.gz UBIXFHFSZIVANL-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP O[C@@H]1CCCC[C@H]1C[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001363331369 972090327 /nfs/dbraw/zinc/09/03/27/972090327.db2.gz ZUJNNRXVBXWMRR-WMLDXEAASA-N 2 0 296.455 1.771 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCCC1CCC1 ZINC001491672264 955379412 /nfs/dbraw/zinc/37/94/12/955379412.db2.gz GDWIQUZURKTQMX-HIFRSBDPSA-N 2 0 281.444 1.613 10 0 CDAERP CC[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001491897669 955497859 /nfs/dbraw/zinc/49/78/59/955497859.db2.gz ZIYTZUCSECLGNC-QWHCGFSZSA-N 2 0 255.406 1.364 10 0 CDAERP CC[C@@H](C(=O)N(C)CC[NH2+]Cc1ncccc1C)[NH+](C)C ZINC001493698367 972102915 /nfs/dbraw/zinc/10/29/15/972102915.db2.gz DFICQWZKDVUTAS-HNNXBMFYSA-N 2 0 292.427 1.278 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1CCC[N@H+](CC)CC1 ZINC001421820149 955567700 /nfs/dbraw/zinc/56/77/00/955567700.db2.gz AVVNOMQHKRSDRQ-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@@H](C[NH2+]Cc1cncs1)N(C)C(=O)CC[NH+](C)C ZINC001421941027 955664693 /nfs/dbraw/zinc/66/46/93/955664693.db2.gz UVCUATBAADKBEI-NSHDSACASA-N 2 0 284.429 1.031 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC2CCC2)[C@H](C)C1 ZINC001422027621 955710654 /nfs/dbraw/zinc/71/06/54/955710654.db2.gz KVKWYLVEQQQJMB-ZBFHGGJFSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]CCF)[NH+](C)C ZINC001329304379 955810750 /nfs/dbraw/zinc/81/07/50/955810750.db2.gz XQSUTGAMCFNJAD-ZDUSSCGKSA-N 2 0 289.439 1.616 10 0 CDAERP O[C@H]1CCCC[C@@H]1C[NH+]1CCC(N2CCCOCC2)CC1 ZINC001365320645 955890044 /nfs/dbraw/zinc/89/00/44/955890044.db2.gz UHZVZSXGDZFOGZ-WBVHZDCISA-N 2 0 296.455 1.724 10 0 CDAERP CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001422437658 956002800 /nfs/dbraw/zinc/00/28/00/956002800.db2.gz DLVHOAGKJSIMLB-AWEZNQCLSA-N 2 0 281.444 1.422 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCF)C1 ZINC001317345756 956195797 /nfs/dbraw/zinc/19/57/97/956195797.db2.gz HWFVQPOBCDZNEV-KBPBESRZSA-N 2 0 285.407 1.268 10 0 CDAERP CC[NH+]1CC([C@@H](C)NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001330083740 956267911 /nfs/dbraw/zinc/26/79/11/956267911.db2.gz ANBMQHINMAQXAM-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@@H]1CCN(C(=[NH2+])NC[C@@H]2CCC[N@H+](CC)C2)C1 ZINC001330273456 956354336 /nfs/dbraw/zinc/35/43/36/956354336.db2.gz DLTVRESLVBECDY-KGLIPLIRSA-N 2 0 266.433 1.975 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCCn1ccnc1CC ZINC001363446378 972173563 /nfs/dbraw/zinc/17/35/63/972173563.db2.gz JNXKGDBPXSPJPH-ZDUSSCGKSA-N 2 0 278.400 1.436 10 0 CDAERP CCCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001330338963 956385157 /nfs/dbraw/zinc/38/51/57/956385157.db2.gz ITBMWJUFRATPEK-JONQDZQNSA-N 2 0 295.471 1.811 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccnc2)C1 ZINC001365822542 956387769 /nfs/dbraw/zinc/38/77/69/956387769.db2.gz VAAJQCJKCONRBV-GASCZTMLSA-N 2 0 290.411 1.018 10 0 CDAERP CC[C@@H](C)C[N@H+](C)C[C@H](C)NC(=O)Cn1cncc1C ZINC001422850787 956405637 /nfs/dbraw/zinc/40/56/37/956405637.db2.gz YRMNQIVFLPLNNS-OLZOCXBDSA-N 2 0 280.416 1.674 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001366172016 956617563 /nfs/dbraw/zinc/61/75/63/956617563.db2.gz QAPALBNHYMKTMS-LJISPDSOSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC1CCC1 ZINC001423156265 956630646 /nfs/dbraw/zinc/63/06/46/956630646.db2.gz WYIQOGMQAZYXSU-UKRRQHHQSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001366385140 956786740 /nfs/dbraw/zinc/78/67/40/956786740.db2.gz GBMMCDMSIJHNTK-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)CC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001366392868 956792774 /nfs/dbraw/zinc/79/27/74/956792774.db2.gz CLZZCKUMOGFFLI-GJZGRUSLSA-N 2 0 281.444 1.565 10 0 CDAERP C[N@H+](CCCF)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001366448756 956839233 /nfs/dbraw/zinc/83/92/33/956839233.db2.gz QHCMILFJPVKFHG-CABCVRRESA-N 2 0 299.434 1.753 10 0 CDAERP CC(C)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001423613801 956903138 /nfs/dbraw/zinc/90/31/38/956903138.db2.gz IXSBFOAZODIKDY-INMHGKMJSA-N 2 0 295.471 1.811 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)Cc1ccsc1 ZINC001366537954 956936715 /nfs/dbraw/zinc/93/67/15/956936715.db2.gz FRWKVBQISPZZRP-CQSZACIVSA-N 2 0 295.452 1.780 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CC[NH+](CCC3CC3)C2)C1 ZINC001366703847 957128806 /nfs/dbraw/zinc/12/88/06/957128806.db2.gz HMNVNVJWQWRBTH-CVEARBPZSA-N 2 0 293.455 1.566 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC001366717255 957138675 /nfs/dbraw/zinc/13/86/75/957138675.db2.gz ZEPZIFFYEJMYIA-INIZCTEOSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC1CN(CC2CC3(CCC3)C2)C1 ZINC001366953226 957296726 /nfs/dbraw/zinc/29/67/26/957296726.db2.gz HLSQBVLEAWFZSX-UHFFFAOYSA-N 2 0 293.455 1.707 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001367059462 957372555 /nfs/dbraw/zinc/37/25/55/957372555.db2.gz NHUBUPYAZHNKQC-HZPDHXFCSA-N 2 0 295.471 1.907 10 0 CDAERP CCC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001317245481 957376864 /nfs/dbraw/zinc/37/68/64/957376864.db2.gz QKJZNGLCPFPVRE-CHWSQXEVSA-N 2 0 255.406 1.365 10 0 CDAERP CCOCC[NH2+][C@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001317271030 957393641 /nfs/dbraw/zinc/39/36/41/957393641.db2.gz KHLOAEMHJGFDGG-HUUCEWRRSA-N 2 0 299.459 1.382 10 0 CDAERP CC/C=C\CC[NH2+][C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001317281036 957401655 /nfs/dbraw/zinc/40/16/55/957401655.db2.gz BKDGSWNORVUZHK-JGUVHBTRSA-N 2 0 281.444 1.779 10 0 CDAERP CC(C)OCC[NH2+][C@H]1C[C@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001332024543 957406517 /nfs/dbraw/zinc/40/65/17/957406517.db2.gz FARSXNQKHINLQS-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001317301077 957412275 /nfs/dbraw/zinc/41/22/75/957412275.db2.gz SVJFNMNTFKDESV-GJZGRUSLSA-N 2 0 281.444 1.851 10 0 CDAERP CC(C)=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001332064683 957420928 /nfs/dbraw/zinc/42/09/28/957420928.db2.gz OPUJQKNJNZHUTM-HUUCEWRRSA-N 2 0 281.444 1.872 10 0 CDAERP C[NH+](C)CCCC(=O)N1CC[C@@H](C[NH2+]CCCF)C1 ZINC001317332411 957426554 /nfs/dbraw/zinc/42/65/54/957426554.db2.gz BHQXWPCELIARSW-ZDUSSCGKSA-N 2 0 273.396 1.126 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](C[NH2+]C/C=C/Cl)C2)C1 ZINC001317341854 957430865 /nfs/dbraw/zinc/43/08/65/957430865.db2.gz CSRZXABFECJRHL-USIDBCOTSA-N 2 0 285.819 1.129 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[NH+](CC)C[C@H]2C1 ZINC001425383211 957524121 /nfs/dbraw/zinc/52/41/21/957524121.db2.gz OCFILQOCIMUSJT-BZUAXINKSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CCCF)C(C)(C)C2)CC1 ZINC001332413256 957553845 /nfs/dbraw/zinc/55/38/45/957553845.db2.gz MOHQODWJFYYHBL-CQSZACIVSA-N 2 0 299.434 1.514 10 0 CDAERP CCCCC[NH2+]CCN(C)C(=O)C[NH+]1CCCC1 ZINC001317662119 957630061 /nfs/dbraw/zinc/63/00/61/957630061.db2.gz UQVYOPGKNLXSNV-UHFFFAOYSA-N 2 0 255.406 1.320 10 0 CDAERP C[C@H]1[C@H]([NH2+]Cc2cncs2)CCN1C(=O)CC[NH+](C)C ZINC001425878641 957633772 /nfs/dbraw/zinc/63/37/72/957633772.db2.gz HBZCVPGVCFGMKL-WCQYABFASA-N 2 0 296.440 1.174 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001426136497 957705430 /nfs/dbraw/zinc/70/54/30/957705430.db2.gz JWJXSEKPWWXOCP-OLZOCXBDSA-N 2 0 289.439 1.807 10 0 CDAERP CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001367422537 958004688 /nfs/dbraw/zinc/00/46/88/958004688.db2.gz GSPIFJMEEBAIKQ-SOUVJXGZSA-N 2 0 283.460 1.857 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001318363629 958060683 /nfs/dbraw/zinc/06/06/83/958060683.db2.gz RMCBFDJRRXVVLX-LQYUOIDQSA-N 2 0 281.444 1.875 10 0 CDAERP CC[NH2+]CCC1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001318926251 958308559 /nfs/dbraw/zinc/30/85/59/958308559.db2.gz MFWHDGYFIRTMRS-UHFFFAOYSA-N 2 0 269.433 1.566 10 0 CDAERP CCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](CCCF)C1 ZINC001494924217 972336381 /nfs/dbraw/zinc/33/63/81/972336381.db2.gz JAGIHJPAANIZBN-CQSZACIVSA-N 2 0 285.407 1.365 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C[NH2+]C(C)C)C1CCCC1)[NH+](C)C ZINC001368138581 958658116 /nfs/dbraw/zinc/65/81/16/958658116.db2.gz LAAMOESNAJARCM-LSDHHAIUSA-N 2 0 283.460 2.000 10 0 CDAERP CC[NH2+]CC[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001319775174 958723102 /nfs/dbraw/zinc/72/31/02/958723102.db2.gz RAQNUKSAHXZTAZ-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP CN(C[C@H]1CC[N@@H+]1CCCF)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001368431590 958835377 /nfs/dbraw/zinc/83/53/77/958835377.db2.gz KBPNQJSSJGFEIA-ZIAGYGMSSA-N 2 0 285.407 1.221 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC2([NH2+]CCF)CCC2)C1 ZINC001368484983 958892715 /nfs/dbraw/zinc/89/27/15/958892715.db2.gz HXIVAOSJCQFWBK-KGLIPLIRSA-N 2 0 299.434 1.705 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001368497758 958903750 /nfs/dbraw/zinc/90/37/50/958903750.db2.gz KVABJTKVCIKQGF-KBXIAJHMSA-N 2 0 299.434 1.703 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCCCC[C@H]([NH2+]C[C@H](C)O)C1 ZINC001368749926 959104122 /nfs/dbraw/zinc/10/41/22/959104122.db2.gz PZNVIGGKBXVEPC-GJZGRUSLSA-N 2 0 299.459 1.070 10 0 CDAERP Cc1nc(C)c(C[NH2+]CC[C@H](C)NC(=O)CC[NH+](C)C)o1 ZINC001320544892 959233544 /nfs/dbraw/zinc/23/35/44/959233544.db2.gz VKNRMFLREYAZIB-NSHDSACASA-N 2 0 296.415 1.228 10 0 CDAERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H](C)[NH2+]Cc1ccsc1 ZINC001368909413 959244292 /nfs/dbraw/zinc/24/42/92/959244292.db2.gz JOWWSLCYZJAEGF-CHWSQXEVSA-N 2 0 295.452 1.827 10 0 CDAERP C[C@H](CC[NH2+]CCC(F)(F)F)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001320641632 959290407 /nfs/dbraw/zinc/29/04/07/959290407.db2.gz YPQMISSLEWEIPX-MNOVXSKESA-N 2 0 295.349 1.375 10 0 CDAERP Cc1ccc(C[N@@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C)cc1 ZINC001368975708 959353777 /nfs/dbraw/zinc/35/37/77/959353777.db2.gz UQSRRQYKTRAWQA-OAHLLOKOSA-N 2 0 291.439 1.883 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccnc2)C1 ZINC001369173751 959502729 /nfs/dbraw/zinc/50/27/29/959502729.db2.gz GAXMVFIZKNHKAH-SHTZXODSSA-N 2 0 290.411 1.018 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001369176540 959504763 /nfs/dbraw/zinc/50/47/63/959504763.db2.gz DARZEYFEVGGZLV-FQUUOJAGSA-N 2 0 285.407 1.171 10 0 CDAERP CN(C(=O)C[NH+]1CCCC1)[C@H](C[NH2+]CC1CCC1)C1CC1 ZINC001369218201 959534894 /nfs/dbraw/zinc/53/48/94/959534894.db2.gz CQZZXSKVQBTZRE-MRXNPFEDSA-N 2 0 293.455 1.709 10 0 CDAERP C[C@H](C[NH2+]CC1CC1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001321609187 959871626 /nfs/dbraw/zinc/87/16/26/959871626.db2.gz LWLCKTLNAFKCDT-GFCCVEGCSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001321610473 959872351 /nfs/dbraw/zinc/87/23/51/959872351.db2.gz XTCFVOCKNSRWGR-CQSZACIVSA-N 2 0 281.444 1.921 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001370015579 959957143 /nfs/dbraw/zinc/95/71/43/959957143.db2.gz JCIPXSSCTZGNKT-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1CC12CC[NH+](CCCF)CC2)[NH+](C)C ZINC001370078029 959982602 /nfs/dbraw/zinc/98/26/02/959982602.db2.gz JLQYRYWJPIHERZ-ZIAGYGMSSA-N 2 0 299.434 1.657 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCC1CC1 ZINC001321865571 959992853 /nfs/dbraw/zinc/99/28/53/959992853.db2.gz HANPNNTVWBHCIX-ZFWWWQNUSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]C(C)C)C1CC1 ZINC001370205466 960020757 /nfs/dbraw/zinc/02/07/57/960020757.db2.gz RRCZNDLURFOTTQ-JKSUJKDBSA-N 2 0 295.471 2.000 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H](C)C[N@@H+](C)CC ZINC001322169507 960119053 /nfs/dbraw/zinc/11/90/53/960119053.db2.gz PUUDTATUPFJGFP-VXGBXAGGSA-N 2 0 261.385 1.123 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001370661711 960175946 /nfs/dbraw/zinc/17/59/46/960175946.db2.gz CXQBKGWJLIFJBP-UPJWGTAASA-N 2 0 273.396 1.313 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001370738182 960193136 /nfs/dbraw/zinc/19/31/36/960193136.db2.gz XAAPCHFKAIBKRQ-XQLPTFJDSA-N 2 0 299.434 1.846 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2CCC[NH+](C)C2)C1 ZINC001433669139 960502154 /nfs/dbraw/zinc/50/21/54/960502154.db2.gz FFRIIOBYZUBUMG-HUUCEWRRSA-N 2 0 281.444 1.565 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001323356363 960678601 /nfs/dbraw/zinc/67/86/01/960678601.db2.gz JCNDRPQOMTXCSW-LQYUOIDQSA-N 2 0 281.444 1.873 10 0 CDAERP C[NH+](C)CCc1cccc(C(=O)NC[C@H]2CC[N@@H+]2C)c1 ZINC001434374960 961231346 /nfs/dbraw/zinc/23/13/46/961231346.db2.gz FOBCTAWSDNLBPH-OAHLLOKOSA-N 2 0 275.396 1.225 10 0 CDAERP CC[NH+](CC)CC[C@@H](C)NC(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001434423248 961352323 /nfs/dbraw/zinc/35/23/23/961352323.db2.gz KITYBXCQROTPAE-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[NH2+]CCF ZINC001419739244 962057342 /nfs/dbraw/zinc/05/73/42/962057342.db2.gz DOUOYLRMSDDFMU-UONOGXRCSA-N 2 0 299.434 1.705 10 0 CDAERP Cc1cnn(-c2ccncc2NC(=O)Cn2cncc2C)c1 ZINC001435642676 962077923 /nfs/dbraw/zinc/07/79/23/962077923.db2.gz HYYREIKCXRUFBT-UHFFFAOYSA-N 2 0 296.334 1.719 10 0 CDAERP C[N@H+](CCF)CCC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001419835520 962144554 /nfs/dbraw/zinc/14/45/54/962144554.db2.gz BHHDQPBSQRCVES-UHFFFAOYSA-N 2 0 299.434 1.612 10 0 CDAERP CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CCC1 ZINC001419939394 962258361 /nfs/dbraw/zinc/25/83/61/962258361.db2.gz WCBBNKABYCOTQK-HUUCEWRRSA-N 2 0 281.444 1.469 10 0 CDAERP C[C@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]CCC1CC1 ZINC001420142672 962503834 /nfs/dbraw/zinc/50/38/34/962503834.db2.gz WTAYBFGLMMELQU-CYBMUJFWSA-N 2 0 279.428 1.367 10 0 CDAERP CCC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001437145001 962676355 /nfs/dbraw/zinc/67/63/55/962676355.db2.gz JUAMFRTXOAKCCF-UKRRQHHQSA-N 2 0 281.444 1.898 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCNC(=O)[C@H](C)Cc1c[nH]cn1 ZINC001420304037 962707867 /nfs/dbraw/zinc/70/78/67/962707867.db2.gz WXJKLTLJKJJQBB-VXGBXAGGSA-N 2 0 284.379 1.384 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cccc(Cl)c1 ZINC001437204285 962738490 /nfs/dbraw/zinc/73/84/90/962738490.db2.gz UIFKHFLOVAFAJO-GFCCVEGCSA-N 2 0 297.830 1.886 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001340119384 962754546 /nfs/dbraw/zinc/75/45/46/962754546.db2.gz UWDWUGOPOJQHAB-IMAFCEGRSA-N 2 0 256.340 1.960 10 0 CDAERP C[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)CCC(C)(C)C ZINC001420335929 962754907 /nfs/dbraw/zinc/75/49/07/962754907.db2.gz XKQPDPBIQOTMIZ-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001437280763 962783576 /nfs/dbraw/zinc/78/35/76/962783576.db2.gz MJMQDFXHJJCAEP-GJZGRUSLSA-N 2 0 293.455 1.851 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001420360979 962790399 /nfs/dbraw/zinc/79/03/99/962790399.db2.gz VQWIERHTGPIOBD-ZIAGYGMSSA-N 2 0 299.459 1.238 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)Cc1ccsc1 ZINC001420379437 962813662 /nfs/dbraw/zinc/81/36/62/962813662.db2.gz BQDMSFXWOCSNBI-CQSZACIVSA-N 2 0 295.452 1.780 10 0 CDAERP C[C@@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001420510128 962984689 /nfs/dbraw/zinc/98/46/89/962984689.db2.gz KGEFFOBYISTCQV-GXTWGEPZSA-N 2 0 281.444 1.469 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC[C@@H](C)F ZINC001437593945 963053349 /nfs/dbraw/zinc/05/33/49/963053349.db2.gz IVNRERCMVNDMRX-MGPQQGTHSA-N 2 0 287.423 1.513 10 0 CDAERP CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001420584601 963095139 /nfs/dbraw/zinc/09/51/39/963095139.db2.gz WHNTWLXIAYFNFI-BZUAXINKSA-N 2 0 293.455 1.802 10 0 CDAERP C[C@@H](C[N@H+](C)CCCO)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001420632612 963141597 /nfs/dbraw/zinc/14/15/97/963141597.db2.gz IIIJFZAFUGFEFZ-GJZGRUSLSA-N 2 0 299.459 1.070 10 0 CDAERP COCC[N@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001420673185 963177378 /nfs/dbraw/zinc/17/73/78/963177378.db2.gz HCDMYEGLIZGTMP-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)NCC[C@H]1CC[NH+](CCF)C1 ZINC001437931326 963244579 /nfs/dbraw/zinc/24/45/79/963244579.db2.gz LXRFVFWANUUOEB-GJZGRUSLSA-N 2 0 299.434 1.659 10 0 CDAERP CC[C@H](C)C[NH+]1CC(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001438051172 963298997 /nfs/dbraw/zinc/29/89/97/963298997.db2.gz CIBUAAJAVVYLEI-DZGCQCFKSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CC[NH+](CC2CC(C)C2)C1 ZINC001438249552 963382438 /nfs/dbraw/zinc/38/24/38/963382438.db2.gz DCYYNQSPJORNPR-GPANFISMSA-N 2 0 295.471 1.905 10 0 CDAERP C[C@H](C[NH2+]CC1CCC1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001438714233 963530838 /nfs/dbraw/zinc/53/08/38/963530838.db2.gz YQFNFNDTHNPHIV-HIFRSBDPSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]C[C@@H]1CCCCO1 ZINC001438716841 963533346 /nfs/dbraw/zinc/53/33/46/963533346.db2.gz UMTSGFZOQOHLBV-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP CN(CC[N@H+](C)CC1CC1)C(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001438919415 963599219 /nfs/dbraw/zinc/59/92/19/963599219.db2.gz GJTHUKQMVXCBPI-JKSUJKDBSA-N 2 0 293.455 1.804 10 0 CDAERP Cc1ncc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)o1 ZINC001439131294 963650117 /nfs/dbraw/zinc/65/01/17/963650117.db2.gz PVBHKZFJCIIULI-BXUZGUMPSA-N 2 0 294.399 1.062 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1cncs1)[NH+](C)C ZINC001439225083 963682771 /nfs/dbraw/zinc/68/27/71/963682771.db2.gz KVRFTKAHGQPAFO-CMPLNLGQSA-N 2 0 284.429 1.078 10 0 CDAERP C[C@H]([NH2+]C/C=C\Cl)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001440129066 963932458 /nfs/dbraw/zinc/93/24/58/963932458.db2.gz UXQIYZNLCGVHIY-WFVZMWEJSA-N 2 0 299.846 1.661 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001440425669 964036630 /nfs/dbraw/zinc/03/66/30/964036630.db2.gz GVAYJJOPXZIADR-ZIAGYGMSSA-N 2 0 287.423 1.609 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CCC1CC1 ZINC001440645984 964125806 /nfs/dbraw/zinc/12/58/06/964125806.db2.gz IBGWNTBPKGZYSL-HIFRSBDPSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H](NC(=O)CC1CC[NH+](C)CC1)[C@H](C)[NH2+]CC1CC1 ZINC001440829372 964200898 /nfs/dbraw/zinc/20/08/98/964200898.db2.gz FJUKJRANRSPVRW-QWHCGFSZSA-N 2 0 281.444 1.611 10 0 CDAERP CCC[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001440836342 964202495 /nfs/dbraw/zinc/20/24/95/964202495.db2.gz MMGWQDAMUNRSPU-CHWSQXEVSA-N 2 0 271.449 1.857 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccccn1 ZINC001440858486 964214422 /nfs/dbraw/zinc/21/44/22/964214422.db2.gz UXFNEFNXVIFBTO-ZIAGYGMSSA-N 2 0 292.427 1.406 10 0 CDAERP C[NH+](C)CCC(=O)NCCC[N@H+](C)Cc1ccc(F)cc1 ZINC001479792932 964268220 /nfs/dbraw/zinc/26/82/20/964268220.db2.gz AAHFAUIBZRQFQC-UHFFFAOYSA-N 2 0 295.402 1.716 10 0 CDAERP CC[C@@H](C[NH+]1CC([C@@H](C)NC(=O)C[N@H+](C)C(C)C)C1)OC ZINC001441205774 964412638 /nfs/dbraw/zinc/41/26/38/964412638.db2.gz JPYJTKVEYQSNRQ-HIFRSBDPSA-N 2 0 299.459 1.188 10 0 CDAERP C[C@@H](CN(C)C(=O)C12CCC[NH+](CCC1)C2)[NH2+]CC1CC1 ZINC001441543777 964584430 /nfs/dbraw/zinc/58/44/30/964584430.db2.gz WTXKQXILTLCCLY-AWEZNQCLSA-N 2 0 293.455 1.709 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@]12CCC[C@H]1[N@H+](CC)CC2 ZINC001441876656 964763778 /nfs/dbraw/zinc/76/37/78/964763778.db2.gz RVRIBAYKIHRLBV-LZWOXQAQSA-N 2 0 299.434 1.799 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CCF)C(C)(C)C1 ZINC001441927321 964789955 /nfs/dbraw/zinc/78/99/55/964789955.db2.gz DKXRRVGRTZVHNO-LBPRGKRZSA-N 2 0 273.396 1.124 10 0 CDAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CCC(F)(F)F ZINC001442058078 964850912 /nfs/dbraw/zinc/85/09/12/964850912.db2.gz XEPOLWKXPBMNJI-JTQLQIEISA-N 2 0 281.322 1.129 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCNC(=O)COC1CC[NH+](C)CC1 ZINC001442560726 965116231 /nfs/dbraw/zinc/11/62/31/965116231.db2.gz MPOJVEDAQDUEPG-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001442603568 965132267 /nfs/dbraw/zinc/13/22/67/965132267.db2.gz NZOWHFXMTVJAOC-HUUCEWRRSA-N 2 0 299.459 1.049 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)CC[C@H](C)F ZINC001442671367 965170646 /nfs/dbraw/zinc/17/06/46/965170646.db2.gz CBCLHQVNCJXPIH-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP C[N@H+](CCF)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001443323635 965438880 /nfs/dbraw/zinc/43/88/80/965438880.db2.gz GQIVDAMPDHIJBD-ZIAGYGMSSA-N 2 0 285.407 1.221 10 0 CDAERP C[C@H](F)CC[NH+]1CC(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001443601171 965532008 /nfs/dbraw/zinc/53/20/08/965532008.db2.gz NXOUJFXWHFNMGO-ZDUSSCGKSA-N 2 0 299.434 1.657 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC001348212970 965877912 /nfs/dbraw/zinc/87/79/12/965877912.db2.gz MFRBNKBTHVYDGF-GFCCVEGCSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@@H](C[NH2+]CC1CC1)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001444590171 965891552 /nfs/dbraw/zinc/89/15/52/965891552.db2.gz AYSPAJPATDYIAP-WFASDCNBSA-N 2 0 279.428 1.175 10 0 CDAERP CC[NH2+]C[C@@H](C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001445433936 966195921 /nfs/dbraw/zinc/19/59/21/966195921.db2.gz JHSCEOIPDVNFPM-BXUZGUMPSA-N 2 0 273.396 1.313 10 0 CDAERP C[C@@H](C[NH2+]C[C@@H]1CCC(F)(F)C1)NC(=O)CC[NH+](C)C ZINC001445615138 966255925 /nfs/dbraw/zinc/25/59/25/966255925.db2.gz PIMRLJGNPSXGDV-NWDGAFQWSA-N 2 0 291.386 1.468 10 0 CDAERP CC[C@H](C)C[N@H+](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001445821748 966350739 /nfs/dbraw/zinc/35/07/39/966350739.db2.gz VPJBFQWYDNHUMR-KBPBESRZSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1CC[C@@H]1CCCO1 ZINC001446120369 966455751 /nfs/dbraw/zinc/45/57/51/966455751.db2.gz FAFKMANSSZIAQF-GJZGRUSLSA-N 2 0 297.443 1.086 10 0 CDAERP CC[N@@H+]1CCN(C(=O)C2CC[NH+](CC(C)C)CC2)C[C@@H]1C ZINC001446199165 966482056 /nfs/dbraw/zinc/48/20/56/966482056.db2.gz WOOYRALYJNTYSE-HNNXBMFYSA-N 2 0 295.471 1.907 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001446524548 966569329 /nfs/dbraw/zinc/56/93/29/966569329.db2.gz HVVMVXPFGULBCJ-CJNGLKHVSA-N 2 0 299.434 1.799 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2C/C=C/Cl ZINC001447153438 966709548 /nfs/dbraw/zinc/70/95/48/966709548.db2.gz JJNPJGWBLLPGIT-RFHLNLMPSA-N 2 0 299.846 1.756 10 0 CDAERP C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](C)[NH2+]Cc1ccns1 ZINC001447910989 966927586 /nfs/dbraw/zinc/92/75/86/966927586.db2.gz WJNQZZRZOABLRT-VXGBXAGGSA-N 2 0 298.456 1.468 10 0 CDAERP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)C1C[NH+](CC[C@H](C)F)C1 ZINC001448303576 967067202 /nfs/dbraw/zinc/06/72/02/967067202.db2.gz KHFYPJKHCPLDBC-QWHCGFSZSA-N 2 0 299.434 1.655 10 0 CDAERP CC(C)C[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001448403228 967096313 /nfs/dbraw/zinc/09/63/13/967096313.db2.gz YQNJMJOPPPLXLA-CQSZACIVSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]Cc1cncs1 ZINC001448789164 967255142 /nfs/dbraw/zinc/25/51/42/967255142.db2.gz ROROZMVPRQHXRU-LBPRGKRZSA-N 2 0 296.440 1.175 10 0 CDAERP CC(C)[NH2+][C@H](CO)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001448854082 967285076 /nfs/dbraw/zinc/28/50/76/967285076.db2.gz CBTREOAOLPBMTD-ZDUSSCGKSA-N 2 0 299.459 1.115 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N[C@]2(C)C[NH+]3CCC2CC3)C1 ZINC001453168011 968256422 /nfs/dbraw/zinc/25/64/22/968256422.db2.gz UQAKWFNQSRXIEY-YSVLISHTSA-N 2 0 293.455 1.707 10 0 CDAERP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)[C@@H](C)CC[NH+](C)C ZINC001456214502 968902680 /nfs/dbraw/zinc/90/26/80/968902680.db2.gz KLWYSDZJJHTTSR-GJZGRUSLSA-N 2 0 283.460 1.763 10 0 CDAERP CC[NH+](CC)CCCNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000848980792 969375738 /nfs/dbraw/zinc/37/57/38/969375738.db2.gz MIDCSGJTKWSCOT-LBPRGKRZSA-N 2 0 256.394 1.011 10 0 CDAERP C[C@@H]1CN(C(=[NH2+])NC[C@H](C2CCCCC2)[NH+](C)C)CCO1 ZINC000848987162 969381790 /nfs/dbraw/zinc/38/17/90/969381790.db2.gz RSZQRHGZGUNSJJ-UKRRQHHQSA-N 2 0 296.459 1.742 10 0 CDAERP C[N@@H+]1CCC[C@@H](CNC(=[NH2+])NCCc2cccs2)C1 ZINC000849005185 969399133 /nfs/dbraw/zinc/39/91/33/969399133.db2.gz BOBRZJXKYHZETP-LBPRGKRZSA-N 2 0 280.441 1.746 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001466399979 969951086 /nfs/dbraw/zinc/95/10/86/969951086.db2.gz ZUBHCSGMFWJJFS-ZIAGYGMSSA-N 2 0 269.433 1.517 10 0 CDAERP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001467915239 970111242 /nfs/dbraw/zinc/11/12/42/970111242.db2.gz CEXMVFKBSUHMOH-QLFBSQMISA-N 2 0 297.418 1.506 10 0 CDAERP C[C@@H](CNC(=O)CC[N@@H+]1CC[C@H](F)C1)[NH+]1CCCC[C@H]1C ZINC001361652956 970385163 /nfs/dbraw/zinc/38/51/63/970385163.db2.gz YLVREFGNHJHEMJ-ILXRZTDVSA-N 2 0 299.434 1.799 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC001361799453 970543200 /nfs/dbraw/zinc/54/32/00/970543200.db2.gz UPAPJLIIIZCJPC-LSDHHAIUSA-N 2 0 299.459 1.143 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC001361799451 970543492 /nfs/dbraw/zinc/54/34/92/970543492.db2.gz UPAPJLIIIZCJPC-HUUCEWRRSA-N 2 0 299.459 1.143 10 0 CDAERP CC[N@@H+]1C[C@H](NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C(C)(C)C1 ZINC001472057806 970554804 /nfs/dbraw/zinc/55/48/04/970554804.db2.gz DQXYOUZARMLTBR-IHRRRGAJSA-N 2 0 281.444 1.706 10 0 CDAERP C[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)C[NH2+]CCF ZINC001495756095 972625710 /nfs/dbraw/zinc/62/57/10/972625710.db2.gz YYHOEKCDHLJGPR-KBPBESRZSA-N 2 0 287.423 1.562 10 0 CDAERP CN(CC[N@H+](C)CC1CC1)C(=O)C12CCC[NH+](CCC1)C2 ZINC001496731228 973071201 /nfs/dbraw/zinc/07/12/01/973071201.db2.gz MORWIXCEBPTCCA-UHFFFAOYSA-N 2 0 293.455 1.663 10 0 CDAERP CCOCC[N@H+](C)CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001496806510 973105580 /nfs/dbraw/zinc/10/55/80/973105580.db2.gz GLJSSHHWVXQXHK-UHFFFAOYSA-N 2 0 299.459 1.145 10 0 CDAERP Cc1cc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)no1 ZINC001497153614 973215977 /nfs/dbraw/zinc/21/59/77/973215977.db2.gz GQLZIDLOMMUNCN-SMDDNHRTSA-N 2 0 294.399 1.062 10 0 CDAERP C[C@H](CC[NH2+]CC1CC1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001497189105 973236692 /nfs/dbraw/zinc/23/66/92/973236692.db2.gz QWVHUMUQWMCMJM-DOMZBBRYSA-N 2 0 279.428 1.223 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H]1CC ZINC001417826850 973404060 /nfs/dbraw/zinc/40/40/60/973404060.db2.gz NGVGPHHDWLDPCT-RRFJBIMHSA-N 2 0 283.460 1.952 10 0 CDAERP CC(C)C[NH2+]C/C=C/CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001497681893 973461779 /nfs/dbraw/zinc/46/17/79/973461779.db2.gz VZWDBJHZQHFSOL-BQYQJAHWSA-N 2 0 283.460 1.882 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC/C=C\C[NH2+]CC1CCC1 ZINC001497764659 973490518 /nfs/dbraw/zinc/49/05/18/973490518.db2.gz QAETWFPKLTWVPR-LPUOJRKPSA-N 2 0 293.455 1.921 10 0 CDAERP C[C@H](C[NH2+]CCC1CC1)NC(=O)C1([NH+](C)C)CCC1 ZINC001497827397 973538986 /nfs/dbraw/zinc/53/89/86/973538986.db2.gz JUGBOHWPFGYORS-GFCCVEGCSA-N 2 0 267.417 1.365 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC=C(C)C ZINC001497825834 973539077 /nfs/dbraw/zinc/53/90/77/973539077.db2.gz XVGHDYZEGOSMJB-HUUCEWRRSA-N 2 0 281.444 1.921 10 0 CDAERP CCC(CC)C[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001418046249 973546322 /nfs/dbraw/zinc/54/63/22/973546322.db2.gz KGXINSHJDLKKGD-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](C[NH2+]CC1CCCC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001497875028 973559758 /nfs/dbraw/zinc/55/97/58/973559758.db2.gz AGVQTHLOJBTHTK-TZMCWYRMSA-N 2 0 267.417 1.365 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccn2)C1)[NH+](C)C ZINC001418095995 973582134 /nfs/dbraw/zinc/58/21/34/973582134.db2.gz GAVFRXDHZZCBGT-QLFBSQMISA-N 2 0 290.411 1.159 10 0 CDAERP COC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001418099206 973584176 /nfs/dbraw/zinc/58/41/76/973584176.db2.gz PYBUKZVITJMZNB-APIJFGDWSA-N 2 0 297.443 1.131 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]C/C=C/Cl ZINC001497993917 973603696 /nfs/dbraw/zinc/60/36/96/973603696.db2.gz UUWIKKPAYANBPM-ZYARKTQMSA-N 2 0 287.835 1.708 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1cncs1 ZINC001418223393 973677431 /nfs/dbraw/zinc/67/74/31/973677431.db2.gz AYCJGMVQMCCKSI-DMDPSCGWSA-N 2 0 296.440 1.078 10 0 CDAERP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]C/C=C/Cl ZINC001418262390 973703243 /nfs/dbraw/zinc/70/32/43/973703243.db2.gz PIDZJBPQAZQPSJ-SYTKJHMZSA-N 2 0 287.835 1.708 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001373965438 973704934 /nfs/dbraw/zinc/70/49/34/973704934.db2.gz FHDQZAWJHOIMNE-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@H](C[NH2+]CC1CCCC1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001374313495 973888051 /nfs/dbraw/zinc/88/80/51/973888051.db2.gz OWKASXKLHNICJB-GDBMZVCRSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001374528844 974004130 /nfs/dbraw/zinc/00/41/30/974004130.db2.gz ABLDUANZXSGVBC-CQSZACIVSA-N 2 0 283.460 1.765 10 0 CDAERP CC(C)C[NH2+]C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001498851231 974078163 /nfs/dbraw/zinc/07/81/63/974078163.db2.gz VVNQREOTCFXVKE-DZGCQCFKSA-N 2 0 281.444 1.469 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001498873729 974090672 /nfs/dbraw/zinc/09/06/72/974090672.db2.gz JNTVGBAGQPVTLF-GJZGRUSLSA-N 2 0 281.444 1.611 10 0 CDAERP CC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]1[NH2+]CC1CC1 ZINC001498907384 974101682 /nfs/dbraw/zinc/10/16/82/974101682.db2.gz OOJKHZNEFIMOFV-CVEARBPZSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@H](C[NH2+]CC1CC2(CCC2)C1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001374846579 974144792 /nfs/dbraw/zinc/14/47/92/974144792.db2.gz IRQQPBSYXGUGDR-HIFRSBDPSA-N 2 0 293.455 1.613 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CC1)C1CC1 ZINC001375236874 974300296 /nfs/dbraw/zinc/30/02/96/974300296.db2.gz BKQHUVISEKRGLZ-CABCVRRESA-N 2 0 279.428 1.365 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+]2CCC(C)(C)C)C1 ZINC001375347024 974346048 /nfs/dbraw/zinc/34/60/48/974346048.db2.gz MNUHVHBGXRTFMA-LSDHHAIUSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)CC[NH+]1CCC(C)(NC(=O)CC[NH+](C)C)CC1 ZINC001499997726 974351177 /nfs/dbraw/zinc/35/11/77/974351177.db2.gz QWXWGVXCIHCPSD-UHFFFAOYSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCCF)[C@@H]1C ZINC001375696205 974457970 /nfs/dbraw/zinc/45/79/70/974457970.db2.gz JVHNQXAKMFHBAK-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]CCCF)C1 ZINC001501150458 974542071 /nfs/dbraw/zinc/54/20/71/974542071.db2.gz RWCDFPBQQDZJEH-UONOGXRCSA-N 2 0 287.423 1.372 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1CC12CC[NH+](CC)CC2 ZINC001376179992 974592784 /nfs/dbraw/zinc/59/27/84/974592784.db2.gz VKWORYJCWSYPMC-KGLIPLIRSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CCF)C1CC1 ZINC001376224772 974607702 /nfs/dbraw/zinc/60/77/02/974607702.db2.gz SZODESDMAVJHMI-ZIAGYGMSSA-N 2 0 285.407 1.313 10 0 CDAERP COC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001376370526 974644292 /nfs/dbraw/zinc/64/42/92/974644292.db2.gz FQWMWJYLEIYIFC-TUVASFSCSA-N 2 0 297.443 1.133 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001376380389 974647628 /nfs/dbraw/zinc/64/76/28/974647628.db2.gz ZJSMJHSLEYUIIG-BZUAXINKSA-N 2 0 295.471 1.860 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001376410437 974655100 /nfs/dbraw/zinc/65/51/00/974655100.db2.gz UMSTYPZRNKJLPT-KKUMJFAQSA-N 2 0 299.434 1.847 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCCO2)C1 ZINC001376488477 974674675 /nfs/dbraw/zinc/67/46/75/974674675.db2.gz FZKRJPPEGLJUSE-ZNMIVQPWSA-N 2 0 297.443 1.134 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CCC1 ZINC001376775772 974763968 /nfs/dbraw/zinc/76/39/68/974763968.db2.gz RPJOEILYOVYQTD-UONOGXRCSA-N 2 0 299.434 1.705 10 0 CDAERP CC[C@H](C(=O)NCC[C@H](C)[NH2+]CC1CC(C)C1)[NH+](C)C ZINC001503290897 974819209 /nfs/dbraw/zinc/81/92/09/974819209.db2.gz VOXIWMIZMGHZBM-OOJKYFRXSA-N 2 0 283.460 1.857 10 0 CDAERP CC[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1cnc(C)o1)[NH+](C)C ZINC001377051872 974868228 /nfs/dbraw/zinc/86/82/28/974868228.db2.gz QAEXKEUSCXJBOG-BXUZGUMPSA-N 2 0 296.415 1.308 10 0 CDAERP CC[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1cnoc1C)[NH+](C)C ZINC001377100068 974881043 /nfs/dbraw/zinc/88/10/43/974881043.db2.gz MEBOHUYHXXVYQH-BXUZGUMPSA-N 2 0 296.415 1.308 10 0 CDAERP C[N@H+](C/C=C\Cl)C[C@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001505460853 974886602 /nfs/dbraw/zinc/88/66/02/974886602.db2.gz BPZYSCQHGBCRMP-WREBYIDWSA-N 2 0 299.846 1.613 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CC[C@@H]1CCCCO1 ZINC001377135650 974899607 /nfs/dbraw/zinc/89/96/07/974899607.db2.gz YUZVNIBSJJPBQB-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)CC[NH2+][C@H](C)[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001505757931 974983675 /nfs/dbraw/zinc/98/36/75/974983675.db2.gz XGNPKFIEOBWOFD-ZIAGYGMSSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@@H](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CC1CC1 ZINC001377432523 975023766 /nfs/dbraw/zinc/02/37/66/975023766.db2.gz NFJREGUMKBBRNO-SWLSCSKDSA-N 2 0 279.428 1.223 10 0 CDAERP CC(C)=CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001505921789 975043733 /nfs/dbraw/zinc/04/37/33/975043733.db2.gz ACJNTKUSXGMMPM-RBSFLKMASA-N 2 0 281.444 1.729 10 0 CDAERP Cc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)CC[NH+](C)C)cc1 ZINC001377845527 975154154 /nfs/dbraw/zinc/15/41/54/975154154.db2.gz DOCTWQRJZAZBAN-CABCVRRESA-N 2 0 291.439 1.930 10 0 CDAERP C[C@@H]([NH2+]CC1CC1)[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001377867443 975161448 /nfs/dbraw/zinc/16/14/48/975161448.db2.gz YAOZAOCIKHWGAX-KGLIPLIRSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@@H]([NH2+]CCC1CC1)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001377884211 975165611 /nfs/dbraw/zinc/16/56/11/975165611.db2.gz OUXBVLZFFROGGF-OLZOCXBDSA-N 2 0 279.428 1.365 10 0 CDAERP CC(C)[NH+]1CC([C@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001506655937 975197708 /nfs/dbraw/zinc/19/77/08/975197708.db2.gz PKJZLVJOAGVXQK-STQMWFEESA-N 2 0 267.417 1.173 10 0 CDAERP CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001507015489 975295932 /nfs/dbraw/zinc/29/59/32/975295932.db2.gz OADMZHACNMTNDA-OAHLLOKOSA-N 2 0 293.455 1.709 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C1C[NH+](CCOC(C)C)C1)[NH+](C)C ZINC001378526514 975376190 /nfs/dbraw/zinc/37/61/90/975376190.db2.gz DQUPVUZGGBCSRU-DZGCQCFKSA-N 2 0 299.459 1.188 10 0 CDAERP CC[NH2+][C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)c1ccccc1 ZINC001404398640 975381174 /nfs/dbraw/zinc/38/11/74/975381174.db2.gz VIPCXRKKXRKOBB-HOCLYGCPSA-N 2 0 289.423 1.795 10 0 CDAERP COCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001507324667 975416026 /nfs/dbraw/zinc/41/60/26/975416026.db2.gz CIMUQTFYVCJNBF-ZIAGYGMSSA-N 2 0 299.459 1.190 10 0 CDAERP CCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH]cn2)C(C)(C)C1 ZINC001378640571 975424329 /nfs/dbraw/zinc/42/43/29/975424329.db2.gz OXXCWDXHZPLTBL-CYBMUJFWSA-N 2 0 278.400 1.579 10 0 CDAERP CCC[N@@H+]1CC[C@]2(NC(=O)CCC[NH+](C)C)CCC[C@H]12 ZINC001507349438 975427924 /nfs/dbraw/zinc/42/79/24/975427924.db2.gz UVTQVOBGCNOJLI-GOEBONIOSA-N 2 0 281.444 1.851 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC(C[NH+](C)CCF)CC1 ZINC001404619187 975438048 /nfs/dbraw/zinc/43/80/48/975438048.db2.gz MVOJBMDORNVGJJ-UHFFFAOYSA-N 2 0 287.423 1.467 10 0 CDAERP COC[C@H](C)[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001404652721 975450257 /nfs/dbraw/zinc/45/02/57/975450257.db2.gz QLZFEBCSLUREHU-KKUMJFAQSA-N 2 0 297.443 1.086 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N1CCC[C@@H]1C[NH2+]CC1CC1 ZINC001401085658 975452481 /nfs/dbraw/zinc/45/24/81/975452481.db2.gz DXNOIXCXTHWSFF-CABCVRRESA-N 2 0 299.434 1.657 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H]2C[NH+](C(C)C)C[C@H]2C1 ZINC001378787505 975492813 /nfs/dbraw/zinc/49/28/13/975492813.db2.gz RZINYDHDMATVAD-ARFHVFGLSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CCCC1 ZINC001401175981 975495402 /nfs/dbraw/zinc/49/54/02/975495402.db2.gz OQLYYSSUGUTYJY-OAHLLOKOSA-N 2 0 293.455 1.755 10 0 CDAERP Cc1cncc(C[NH2+]C[C@H](C)N(C)C(=O)CC[NH+](C)C)c1 ZINC001378816276 975503195 /nfs/dbraw/zinc/50/31/95/975503195.db2.gz UBHXTWLCGBLFHQ-AWEZNQCLSA-N 2 0 292.427 1.278 10 0 CDAERP Cc1cc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCC[N@@H+]2C)on1 ZINC001401199820 975509401 /nfs/dbraw/zinc/50/94/01/975509401.db2.gz IKQVTIWGBKNVOV-OCCSQVGLSA-N 2 0 294.399 1.014 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](O)C[NH+](C)C(C)C ZINC001507639634 975518253 /nfs/dbraw/zinc/51/82/53/975518253.db2.gz KWZIFBLYYBZMNL-HUUCEWRRSA-N 2 0 299.459 1.020 10 0 CDAERP CC(C)CCC[NH+]1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001404921773 975542267 /nfs/dbraw/zinc/54/22/67/975542267.db2.gz NCUJHURECLGFRJ-UHFFFAOYSA-N 2 0 293.455 1.566 10 0 CDAERP C[C@@H](F)CC[NH+]1CC(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001404953077 975552028 /nfs/dbraw/zinc/55/20/28/975552028.db2.gz VPOBZRZWFGPHEH-CQSZACIVSA-N 2 0 299.434 1.659 10 0 CDAERP CC1CC(C[NH2+][C@H]2C[C@H](CNC(=O)CC[NH+](C)C)C2)C1 ZINC001388723981 975568632 /nfs/dbraw/zinc/56/86/32/975568632.db2.gz HETIFWNYVDZTQV-LTDGRNPRSA-N 2 0 281.444 1.469 10 0 CDAERP CCOCC[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C(C)(C)C ZINC001508024379 975578879 /nfs/dbraw/zinc/57/88/79/975578879.db2.gz FIERIURKUJFVME-AWEZNQCLSA-N 2 0 299.459 1.239 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001405108069 975628103 /nfs/dbraw/zinc/62/81/03/975628103.db2.gz FNPHFGJWAPAKJB-UONOGXRCSA-N 2 0 299.434 1.609 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)[NH2+]CCF ZINC001405266843 975697126 /nfs/dbraw/zinc/69/71/26/975697126.db2.gz NUFQAUJZQYGBEI-KGLIPLIRSA-N 2 0 287.423 1.561 10 0 CDAERP CC(C)[NH2+][C@@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001379323510 975765816 /nfs/dbraw/zinc/76/58/16/975765816.db2.gz CQZUKMAGCCPOKX-GJZGRUSLSA-N 2 0 283.460 1.952 10 0 CDAERP C[C@H](F)CC[N@@H+]1CCC[C@H](NC(=O)CCn2ccnc2)C1 ZINC001389383591 975799161 /nfs/dbraw/zinc/79/91/61/975799161.db2.gz ZMCVAIKPEAZQRH-KBPBESRZSA-N 2 0 296.390 1.602 10 0 CDAERP CC[C@@H](C(=O)N[C@@H]1CCN(Cc2ocnc2C)C1)[NH+](C)C ZINC001389509204 975878734 /nfs/dbraw/zinc/87/87/34/975878734.db2.gz KUYTUZYZIPZKON-OLZOCXBDSA-N 2 0 294.399 1.014 10 0 CDAERP CC(C)C[NH+]1CCC2(C[C@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001389530952 975890983 /nfs/dbraw/zinc/89/09/83/975890983.db2.gz XUVQMFGKBSPTEJ-CQSZACIVSA-N 2 0 281.444 1.565 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)CC1CC1 ZINC001401816491 975934059 /nfs/dbraw/zinc/93/40/59/975934059.db2.gz FTWUELAXLRDOFS-DZGCQCFKSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H]([NH2+]CC1CC(C)C1)C1CC1 ZINC001389680775 975951299 /nfs/dbraw/zinc/95/12/99/975951299.db2.gz CGLPTXHYEARPGH-XUJLQICISA-N 2 0 295.471 1.857 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@@H](C[N@H+](C)CCF)C1)[NH+](C)C ZINC001389705467 975958752 /nfs/dbraw/zinc/95/87/52/975958752.db2.gz AEUISUNDNOSHIA-UONOGXRCSA-N 2 0 287.423 1.467 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]([NH2+]Cc1nccs1)C1CC1 ZINC001398433262 975983681 /nfs/dbraw/zinc/98/36/81/975983681.db2.gz HFXULSBQDPGPFM-LBPRGKRZSA-N 2 0 296.440 1.079 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001389843252 976014555 /nfs/dbraw/zinc/01/45/55/976014555.db2.gz FOZCUJNSYIKOMU-QCEMKRCNSA-N 2 0 293.455 1.611 10 0 CDAERP CC(C)CC[N@H+](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001379738733 976045536 /nfs/dbraw/zinc/04/55/36/976045536.db2.gz JBZQHBFZAWIWBY-AWEZNQCLSA-N 2 0 283.460 1.811 10 0 CDAERP COC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001389976436 976070748 /nfs/dbraw/zinc/07/07/48/976070748.db2.gz AAYQMYGMGMZOLF-MELADBBJSA-N 2 0 297.443 1.133 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CCc2ccccc2)C1 ZINC001389991020 976076640 /nfs/dbraw/zinc/07/66/40/976076640.db2.gz OFJFQVLYKIKNMD-IYBDPMFKSA-N 2 0 289.423 1.418 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001390003955 976080833 /nfs/dbraw/zinc/08/08/33/976080833.db2.gz IPKJXWMJEDHBLR-UPJWGTAASA-N 2 0 283.391 1.067 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCN(C)C(=O)C[NH+](C)C(C)C ZINC001406178248 976082269 /nfs/dbraw/zinc/08/22/69/976082269.db2.gz QMCGDVNCGLCIQF-CQSZACIVSA-N 2 0 271.449 1.763 10 0 CDAERP CC(C)C[C@H](C)C[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001406435399 976182641 /nfs/dbraw/zinc/18/26/41/976182641.db2.gz RPJXSAZJBZVFQL-LSDHHAIUSA-N 2 0 283.460 1.859 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC[C@@H](C)F)C1 ZINC001402234685 976191407 /nfs/dbraw/zinc/19/14/07/976191407.db2.gz QPNQWDYWNSSVLO-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP Cc1cccnc1C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001406454885 976199084 /nfs/dbraw/zinc/19/90/84/976199084.db2.gz NGEYCJHJROCEQA-ZFWWWQNUSA-N 2 0 290.411 1.079 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccccn1 ZINC001398972233 976272663 /nfs/dbraw/zinc/27/26/63/976272663.db2.gz YJUQVYVODHUYNR-DZGCQCFKSA-N 2 0 290.411 1.160 10 0 CDAERP Cc1ncc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C)s1 ZINC001390462311 976308580 /nfs/dbraw/zinc/30/85/80/976308580.db2.gz RMZOFMWEIREXMM-GXFFZTMASA-N 2 0 296.440 1.140 10 0 CDAERP Cc1cccc(C)c1C[NH2+][C@H](C)CNC(=O)CC[NH+](C)C ZINC001390466599 976310983 /nfs/dbraw/zinc/31/09/83/976310983.db2.gz JPOVEGZPCFJZCW-OAHLLOKOSA-N 2 0 291.439 1.849 10 0 CDAERP CO[C@H](C)C[N@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001492879807 976386893 /nfs/dbraw/zinc/38/68/93/976386893.db2.gz XDSIJCLVCRPJOI-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@H]([N@H+](C)CCCF)C1)[NH+](C)C ZINC001390632090 976402704 /nfs/dbraw/zinc/40/27/04/976402704.db2.gz WNUQEPHWMRTTQM-UONOGXRCSA-N 2 0 287.423 1.609 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH+](C)CCCF)C2)CC[N@@H+]1C ZINC001399295543 976418473 /nfs/dbraw/zinc/41/84/73/976418473.db2.gz SNBMKQIPRDKCSJ-QLFBSQMISA-N 2 0 299.434 1.609 10 0 CDAERP C[NH+](C1CCCC1)C(C)(C)C(=O)NCC[N@H+](C)CCCO ZINC001390783017 976502165 /nfs/dbraw/zinc/50/21/65/976502165.db2.gz LTQDGTBZRJOHEU-UHFFFAOYSA-N 2 0 299.459 1.070 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001380677065 976512649 /nfs/dbraw/zinc/51/26/49/976512649.db2.gz BCBCSBHRUPCKGP-UONOGXRCSA-N 2 0 281.444 1.421 10 0 CDAERP C[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)CC1CCCC1 ZINC001390844628 976557292 /nfs/dbraw/zinc/55/72/92/976557292.db2.gz LPYNBHDYBSLPCP-UHFFFAOYSA-N 2 0 279.428 1.320 10 0 CDAERP CC[C@@H](C[N@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C)OC ZINC001402946103 976608278 /nfs/dbraw/zinc/60/82/78/976608278.db2.gz ZXPBWPMQLYQPPH-GJZGRUSLSA-N 2 0 299.459 1.286 10 0 CDAERP Cc1cc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)cs1 ZINC001403134828 976751305 /nfs/dbraw/zinc/75/13/05/976751305.db2.gz JICRZIZAJOFFBD-BXUZGUMPSA-N 2 0 295.452 1.603 10 0 CDAERP CC[C@@H](C)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001408071871 976898135 /nfs/dbraw/zinc/89/81/35/976898135.db2.gz KUONUDYZROUGTA-RBSFLKMASA-N 2 0 281.444 1.707 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NCC[C@H]2CC[NH+](CC3CCC3)C2)C1 ZINC001400181339 976916395 /nfs/dbraw/zinc/91/63/95/976916395.db2.gz DZZBDMANTXVOBX-JKSUJKDBSA-N 2 0 293.455 1.566 10 0 CDAERP CCCC[N@@H+]1CC[C@@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001400191948 976918378 /nfs/dbraw/zinc/91/83/78/976918378.db2.gz DIXARFXBXBRRGA-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H](F)CC[NH+]1CC(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001391506934 976924130 /nfs/dbraw/zinc/92/41/30/976924130.db2.gz ROWNLANNWIONNE-CHWSQXEVSA-N 2 0 285.407 1.124 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@H]1C[N@H+](CC2CC2)CC1(C)C ZINC001381868379 977060515 /nfs/dbraw/zinc/06/05/15/977060515.db2.gz FNCSEIPWCOHWHM-AWEZNQCLSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CC[C@@H]1CCCCO1 ZINC001403590918 977088525 /nfs/dbraw/zinc/08/85/25/977088525.db2.gz AWOSHLOVNLCNEA-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CCc1ccns1 ZINC001382117435 977174718 /nfs/dbraw/zinc/17/47/18/977174718.db2.gz SYXAGNBSWWATNG-LBPRGKRZSA-N 2 0 298.456 1.074 10 0 CDAERP C[C@H](C[NH2+]Cc1ccns1)N(C)C(=O)C[NH+]1CCCC1 ZINC001392128403 977228703 /nfs/dbraw/zinc/22/87/03/977228703.db2.gz FYOXVNUEWBANSA-GFCCVEGCSA-N 2 0 296.440 1.175 10 0 CDAERP Cc1ncc(C[NH2+][C@H]2C[C@H](C)N(C(=O)CC[NH+](C)C)C2)o1 ZINC001382321504 977249856 /nfs/dbraw/zinc/24/98/56/977249856.db2.gz XFMYQQRDLMGIQH-AAEUAGOBSA-N 2 0 294.399 1.014 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CCF)C(C)C ZINC001392216212 977265831 /nfs/dbraw/zinc/26/58/31/977265831.db2.gz IHZKEBZPBDQNJO-ZIAGYGMSSA-N 2 0 287.423 1.561 10 0 CDAERP CCC[N@H+](C)CCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001392287786 977385565 /nfs/dbraw/zinc/38/55/65/977385565.db2.gz IMOSHCIOHJSIKX-UHFFFAOYSA-N 2 0 281.444 1.663 10 0 CDAERP CC(C)CCC[N@H+](C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001392319250 977407028 /nfs/dbraw/zinc/40/70/28/977407028.db2.gz LZYYKQAXGHDCQY-UHFFFAOYSA-N 2 0 295.471 1.909 10 0 CDAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CC1CCCC1 ZINC001393399600 977779041 /nfs/dbraw/zinc/77/90/41/977779041.db2.gz VQZDDFCDHBQAIO-GOEBONIOSA-N 2 0 295.471 1.812 10 0 CDAERP C[C@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)[NH2+]C/C=C\Cl ZINC001393979428 977995336 /nfs/dbraw/zinc/99/53/36/977995336.db2.gz UYGHZIZQANBUDG-OCWOOEOGSA-N 2 0 287.835 1.564 10 0 CDAERP CC[N@@H+]1C[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001394281018 978123688 /nfs/dbraw/zinc/12/36/88/978123688.db2.gz OLOBNAHWISOCRW-GJZGRUSLSA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[N@H+](CCCF)CC1(C)C)[NH+](C)C ZINC001394313377 978132080 /nfs/dbraw/zinc/13/20/80/978132080.db2.gz UVJZRCDJJHSDQE-OLZOCXBDSA-N 2 0 287.423 1.513 10 0 CDAERP CC[NH2+][C@H]1CN(C(=O)[C@H](F)C[NH+](CC)CC)CC1(C)C ZINC001394715156 978239602 /nfs/dbraw/zinc/23/96/02/978239602.db2.gz IMJWRBVLMBLMNQ-OLZOCXBDSA-N 2 0 287.423 1.513 10 0 CDAERP C[NH+](C)C1(C(=O)NC2CC(C[NH2+]CCC3CC3)C2)CCC1 ZINC001674551191 1173961232 /nfs/dbraw/zinc/96/12/32/1173961232.db2.gz NBRZVQIKUQFVEI-UHFFFAOYSA-N 2 0 293.455 1.755 10 0 CDAERP CCOCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001674746598 1174002284 /nfs/dbraw/zinc/00/22/84/1174002284.db2.gz CWPXRQZFGPDWJK-LSDHHAIUSA-N 2 0 299.459 1.238 10 0 CDAERP CC(C)[NH2+]CCCOC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001675157709 1174081017 /nfs/dbraw/zinc/08/10/17/1174081017.db2.gz MRYMLXSKRJZBHS-UHFFFAOYSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCOC1CCC1 ZINC001676318206 1174206409 /nfs/dbraw/zinc/20/64/09/1174206409.db2.gz IVOWZWPRBAQTGR-HIFRSBDPSA-N 2 0 297.443 1.086 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]CC2CCC2)C1 ZINC001571152314 1170340142 /nfs/dbraw/zinc/34/01/42/1170340142.db2.gz JHTPXCVWRBNKMK-HDJSIYSDSA-N 2 0 267.417 1.223 10 0 CDAERP CCOC(=O)c1cccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)n1 ZINC000600177915 341983312 /nfs/dbraw/zinc/98/33/12/341983312.db2.gz VCNAEUCTLHJLGN-XBXGTLAGSA-N 2 0 291.395 1.688 10 0 CDAERP C[NH+](C)CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000253626549 282085342 /nfs/dbraw/zinc/08/53/42/282085342.db2.gz XNBKMKLZCSURPX-RBSFLKMASA-N 2 0 254.418 1.954 10 0 CDAERP CC[NH+](CC)CCSCC(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000590445649 342546447 /nfs/dbraw/zinc/54/64/47/342546447.db2.gz QJOBWXNIZGYPTO-KGLIPLIRSA-N 2 0 299.484 1.224 10 0 CDAERP CC(C)[NH2+][C@H]1CCCN(C(=O)N[C@H]2CCC[N@H+](C)C2)C1 ZINC000601270432 342547812 /nfs/dbraw/zinc/54/78/12/342547812.db2.gz RKMOTKXIKOOGAH-KBPBESRZSA-N 2 0 282.432 1.253 10 0 CDAERP C[NH2+]Cc1ccccc1C[NH2+]Cc1cn(C)nc1C ZINC000650719415 398159254 /nfs/dbraw/zinc/15/92/54/398159254.db2.gz PGSFAEXRYRCDAU-UHFFFAOYSA-N 2 0 258.369 1.738 10 0 CDAERP C[C@H]1C[C@@H](C[NH+]2CCC(Cn3cnnc3)CC2)CC[NH2+]1 ZINC000650710674 398153716 /nfs/dbraw/zinc/15/37/16/398153716.db2.gz WRJMCAZTWVCIKP-ZFWWWQNUSA-N 2 0 277.416 1.378 10 0 CDAERP Cn1cc(C[NH2+]CCC2(C[NH3+])CC2)c(C(C)(C)C)n1 ZINC000650713132 398155464 /nfs/dbraw/zinc/15/54/64/398155464.db2.gz GVBKVPITWQMHNU-UHFFFAOYSA-N 2 0 264.417 1.936 10 0 CDAERP CC[NH+](CC)CCc1nc(COC)c(C[NH3+])s1 ZINC000082446918 178024646 /nfs/dbraw/zinc/02/46/46/178024646.db2.gz SXQKWSWHHVCQQO-UHFFFAOYSA-N 2 0 257.403 1.633 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000167530466 342073656 /nfs/dbraw/zinc/07/36/56/342073656.db2.gz NHGWRFNXPBOJIH-XQQFMLRXSA-N 2 0 253.390 1.057 10 0 CDAERP C[C@@H](CNC(=O)[C@@]1(C)CCCC[NH2+]1)[NH+]1CCCC1 ZINC000133607617 342069118 /nfs/dbraw/zinc/06/91/18/342069118.db2.gz WCISRMQCRYSBKI-GXTWGEPZSA-N 2 0 253.390 1.119 10 0 CDAERP CC(C)[NH2+]CCCNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000151789628 342102166 /nfs/dbraw/zinc/10/21/66/342102166.db2.gz QPRLXCMFVZPPIF-ZIAGYGMSSA-N 2 0 269.433 1.788 10 0 CDAERP C[C@@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)C1CC[NH+](C)CC1 ZINC000624343022 342157732 /nfs/dbraw/zinc/15/77/32/342157732.db2.gz NTKMZFRQBLGIRD-DOMZBBRYSA-N 2 0 279.428 1.460 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000599308974 344002888 /nfs/dbraw/zinc/00/28/88/344002888.db2.gz HGDSSWKOECOQLS-CYBMUJFWSA-N 2 0 253.390 1.023 10 0 CDAERP COc1ccccc1C[C@@H](C)[NH2+]CC1([NH3+])CCOCC1 ZINC000629387396 361899533 /nfs/dbraw/zinc/89/95/33/361899533.db2.gz IOPPMUGROSLQJV-CYBMUJFWSA-N 2 0 278.396 1.724 10 0 CDAERP COC(=O)[C@H](CC(C)C)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366497630 361914016 /nfs/dbraw/zinc/91/40/16/361914016.db2.gz NWBQJBGCMTZIOX-DZGCQCFKSA-N 2 0 268.401 1.602 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000629399537 361937322 /nfs/dbraw/zinc/93/73/22/361937322.db2.gz UDHVCDVEMNNISQ-UHFFFAOYSA-N 2 0 278.400 1.137 10 0 CDAERP C[NH2+]CCOCC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000629406793 361944119 /nfs/dbraw/zinc/94/41/19/361944119.db2.gz YMKONFOSRSWXCY-NVXWUHKLSA-N 3 0 297.487 1.855 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2c[nH+]ccc2N)C1 ZINC000127374980 342221932 /nfs/dbraw/zinc/22/19/32/342221932.db2.gz WPBHDCPHKSRSPF-NSHDSACASA-N 2 0 262.357 1.124 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@@H]([NH3+])CCSC ZINC000593915002 342856572 /nfs/dbraw/zinc/85/65/72/342856572.db2.gz SNZABIQZALQJFP-ZDUSSCGKSA-N 2 0 281.425 1.103 10 0 CDAERP C[C@H]([NH2+]C1CCC(C(N)=O)CC1)C1CC[NH+](C)CC1 ZINC000037152150 539141963 /nfs/dbraw/zinc/14/19/63/539141963.db2.gz BDOFJWMVOPLYIJ-XGNXJENSSA-N 2 0 267.417 1.350 10 0 CDAERP CC1([NH+]2CCOCC2)CCC(N2CC[C@@H]([NH3+])C2)CC1 ZINC000725262989 539161947 /nfs/dbraw/zinc/16/19/47/539161947.db2.gz ZPIIYTSXVODBCC-WLYUNCDWSA-N 2 0 267.417 1.053 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000594937497 342977880 /nfs/dbraw/zinc/97/78/80/342977880.db2.gz PGQSPTHLGXZSIQ-BZTHDZJNSA-N 2 0 280.412 1.791 10 0 CDAERP C[C@H](C[S@](C)=O)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000594944298 342979772 /nfs/dbraw/zinc/97/97/72/342979772.db2.gz SUYQKRHVNSCXBN-WYRIXSBYSA-N 2 0 278.381 1.124 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000594921807 342987397 /nfs/dbraw/zinc/98/73/97/342987397.db2.gz UIYJBPSYEPVIMY-MRVWCRGKSA-N 2 0 268.401 1.646 10 0 CDAERP CS[C@H](CO)[C@@H](C)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000594924479 342989048 /nfs/dbraw/zinc/98/90/48/342989048.db2.gz ZFRRBSFUEHOZFE-BXUZGUMPSA-N 2 0 292.408 1.469 10 0 CDAERP C[NH+](C)C1(CNc2nc(N)[nH+]c3c2CCCC3)CCCC1 ZINC000645118567 362126329 /nfs/dbraw/zinc/12/63/29/362126329.db2.gz SLTRMNAFRQFXKM-UHFFFAOYSA-N 2 0 289.427 1.476 10 0 CDAERP Cc1cc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)n(C)n1 ZINC000169789114 362136182 /nfs/dbraw/zinc/13/61/82/362136182.db2.gz BAPPFUYNOCDJJJ-CQSZACIVSA-N 2 0 262.401 1.550 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)c1ccc(OC)cc1F ZINC000629529296 362155164 /nfs/dbraw/zinc/15/51/64/362155164.db2.gz YIYALASMTSRCMP-LLVKDONJSA-N 2 0 270.348 1.721 10 0 CDAERP CCC1(CC)[C@@H]([NH2+]CCOCC[NH2+]C)C[C@@H]1OC ZINC000629529373 362157767 /nfs/dbraw/zinc/15/77/67/362157767.db2.gz AVHSRGODEXWFIE-STQMWFEESA-N 2 0 258.406 1.406 10 0 CDAERP [NH3+]CCN(CCOC1CCOCC1)CCc1ccccc1 ZINC000629530653 362158889 /nfs/dbraw/zinc/15/88/89/362158889.db2.gz MUYIPHCZJYFIRI-UHFFFAOYSA-N 2 0 292.423 1.685 10 0 CDAERP C[NH2+]CCOCC[NH2+]C1CCC(C(F)F)CC1 ZINC000629530705 362158935 /nfs/dbraw/zinc/15/89/35/362158935.db2.gz NWWIMNIQOMDJOY-UHFFFAOYSA-N 2 0 250.333 1.636 10 0 CDAERP COC(=O)Cc1ccnc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000596257359 343276428 /nfs/dbraw/zinc/27/64/28/343276428.db2.gz NIBRYBACIMFKIN-AGUYFDCRSA-N 2 0 289.379 1.834 10 0 CDAERP CC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)CC(C)C ZINC000142865490 342448966 /nfs/dbraw/zinc/44/89/66/342448966.db2.gz APKMFCMMIANOJY-UHFFFAOYSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H]([NH3+])CC(F)F)cc1 ZINC000572958931 362251138 /nfs/dbraw/zinc/25/11/38/362251138.db2.gz RTRJTTCTPVTFQQ-KWQFWETISA-N 2 0 271.311 1.305 10 0 CDAERP CCN(CC)C(=O)CN1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000316208316 362293043 /nfs/dbraw/zinc/29/30/43/362293043.db2.gz XTWSWKPZLHQHDS-AGIUHOORSA-N 2 0 255.406 1.303 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC(C[NH3+])CC1 ZINC000257698927 344371519 /nfs/dbraw/zinc/37/15/19/344371519.db2.gz NRWBJDSFGFZFPW-CQSZACIVSA-N 2 0 267.417 1.448 10 0 CDAERP Cc1nccn1CCNC(=O)Nc1ccc2nccn2c1 ZINC000606583753 345030838 /nfs/dbraw/zinc/03/08/38/345030838.db2.gz MOJSVHQYQMAPBR-UHFFFAOYSA-N 2 0 284.323 1.661 10 0 CDAERP C[NH+]1[C@@H]2CCC[C@H]1CC(NC(=O)N[C@@H]1CCC[N@@H+](C)C1)C2 ZINC000608647722 345804373 /nfs/dbraw/zinc/80/43/73/345804373.db2.gz ICBYHXPBPLWDKC-FFHGMXDLSA-N 2 0 294.443 1.395 10 0 CDAERP CCC[NH2+][C@@](C)(CO)CCN(C)CCC[NH+](C)C ZINC000085212183 178974495 /nfs/dbraw/zinc/97/44/95/178974495.db2.gz KIHWQRXEAFKJGZ-CQSZACIVSA-N 2 0 259.438 1.011 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCNC(=O)c2ccccc2)CC1(C)C ZINC000623380711 346116375 /nfs/dbraw/zinc/11/63/75/346116375.db2.gz MJROCKWENXKWGC-HNNXBMFYSA-N 2 0 289.423 1.879 10 0 CDAERP COCC[N@H+](C)CCN[C@H]1CC[NH+](C)C(C)(C)C1 ZINC000623396361 346153671 /nfs/dbraw/zinc/15/36/71/346153671.db2.gz PUWDIGXTNQDTRG-ZDUSSCGKSA-N 2 0 257.422 1.027 10 0 CDAERP [NH3+]C[C@](O)(C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C1CC1 ZINC000085300369 179009739 /nfs/dbraw/zinc/00/97/39/179009739.db2.gz NZECIBCQWBPJIH-GUTXKFCHSA-N 2 0 252.402 1.598 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCC[NH+]2CCC[C@H]2CO)CC1(C)C ZINC000623412550 346253086 /nfs/dbraw/zinc/25/30/86/346253086.db2.gz PTRBTLDUGLYMFI-HOTGVXAUSA-N 3 0 297.487 1.686 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000085358763 179031265 /nfs/dbraw/zinc/03/12/65/179031265.db2.gz XJSHRUOUEZSHDA-OLZOCXBDSA-N 2 0 253.390 1.057 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000085359749 179031696 /nfs/dbraw/zinc/03/16/96/179031696.db2.gz LRYMECJSDHUNMI-KBPBESRZSA-N 2 0 267.417 1.495 10 0 CDAERP COCC1(c2nc([C@@H]([NH3+])CC(C)C)no2)CC[NH2+]CC1 ZINC000571561083 362681797 /nfs/dbraw/zinc/68/17/97/362681797.db2.gz SLHKBTGMJVORST-NSHDSACASA-N 2 0 282.388 1.383 10 0 CDAERP [NH3+][C@H]1COC[C@H]1C[NH2+]Cc1cc(Br)cs1 ZINC000085376319 179044742 /nfs/dbraw/zinc/04/47/42/179044742.db2.gz KEUXSHKEHKBUNZ-XCBNKYQSSA-N 2 0 291.214 1.574 10 0 CDAERP O=C1NCCN1CC[N@@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403480 179052939 /nfs/dbraw/zinc/05/29/39/179052939.db2.gz XQXSVFRCWXOKHY-OAHLLOKOSA-N 2 0 294.443 1.256 10 0 CDAERP C1CC1c1nc2c(n1[C@H]1CC[N@@H+](C3CC3)C1)CC[NH2+]C2 ZINC000085573017 179098152 /nfs/dbraw/zinc/09/81/52/179098152.db2.gz LGNHJYUHSSGKDX-ZDUSSCGKSA-N 2 0 272.396 1.815 10 0 CDAERP CN1CCN(c2cc[nH+]c3ccccc32)[C@@H](C[NH3+])C1 ZINC000226622183 346521246 /nfs/dbraw/zinc/52/12/46/346521246.db2.gz SMIBXTBYDCEMLX-LBPRGKRZSA-N 2 0 256.353 1.314 10 0 CDAERP C[C@@H]1CC[N@H+](CCN[C@@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623437376 346755927 /nfs/dbraw/zinc/75/59/27/346755927.db2.gz CVWJVVMTGCXGIW-ZIAGYGMSSA-N 2 0 253.434 1.791 10 0 CDAERP CC(C)C[C@H]1CN([C@@H]2CC[N@@H+](C3CC3)C2)CC[NH2+]1 ZINC000086146007 179238742 /nfs/dbraw/zinc/23/87/42/179238742.db2.gz SEPBDFZBQFVMQR-DZGCQCFKSA-N 2 0 251.418 1.543 10 0 CDAERP CC[NH+]1CCC(CN2CC[NH2+][C@H](C(C)C)C2)CC1 ZINC000086145682 179238099 /nfs/dbraw/zinc/23/80/99/179238099.db2.gz FPBQENRGUHYPQS-HNNXBMFYSA-N 2 0 253.434 1.648 10 0 CDAERP CC(C)[C@@H]1CN(C[C@@H]2CC[N@H+](C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086171867 179243715 /nfs/dbraw/zinc/24/37/15/179243715.db2.gz DORSVWIUZDKLRX-PMPSAXMXSA-N 2 0 267.461 1.893 10 0 CDAERP C[N@@H+]1CC[C@@H](CN2CC[NH2+]C[C@@H]2c2ccccc2)C1 ZINC000086177266 179246345 /nfs/dbraw/zinc/24/63/45/179246345.db2.gz BZWOKLFFNSWLQN-GDBMZVCRSA-N 2 0 259.397 1.585 10 0 CDAERP CC[C@@H]1C[NH2+][C@@H](C2CC2)CN1C1CC[NH+](C)CC1 ZINC000086217829 179249885 /nfs/dbraw/zinc/24/98/85/179249885.db2.gz VTYKEBBUOXCLRG-UKRRQHHQSA-N 2 0 251.418 1.543 10 0 CDAERP CCC1(CC)CN(C[C@@H]2CC[N@H+](C)C2)[C@@H](C)C[NH2+]1 ZINC000086223131 179251420 /nfs/dbraw/zinc/25/14/20/179251420.db2.gz OQAYGLGGCQKTMU-UONOGXRCSA-N 2 0 253.434 1.791 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CCCCCS(C)(=O)=O)CC1(C)C ZINC000623495995 347604782 /nfs/dbraw/zinc/60/47/82/347604782.db2.gz DKZDSEYAJNAXRF-CYBMUJFWSA-N 2 0 290.473 1.664 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)NC[C@@H]1CC[NH+]1C1CCCC1 ZINC000623573890 347639984 /nfs/dbraw/zinc/63/99/84/347639984.db2.gz ZMYTXFFSANAFDC-HNNXBMFYSA-N 2 0 296.459 1.643 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@H](CO)CC(F)F)CC1(C)C ZINC000623507433 347608584 /nfs/dbraw/zinc/60/85/84/347608584.db2.gz JLSDCCMLMKHYDF-UWVGGRQHSA-N 2 0 250.333 1.465 10 0 CDAERP Cc1ccc(CN[C@@H]2CC[N@H+](C)C(C)(C)C2)c(=O)n1C ZINC000623509893 347609835 /nfs/dbraw/zinc/60/98/35/347609835.db2.gz XNQUUCHOABBIQE-CQSZACIVSA-N 2 0 277.412 1.656 10 0 CDAERP C[C@H]([NH2+]CCOCCC[NH3+])c1ccc(C(=O)N(C)C)cc1 ZINC000629536512 362950814 /nfs/dbraw/zinc/95/08/14/362950814.db2.gz GKDVYVBXFZXBGL-ZDUSSCGKSA-N 2 0 293.411 1.404 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1c2ccccc2C(=O)N1C ZINC000629536694 362951043 /nfs/dbraw/zinc/95/10/43/362951043.db2.gz INOGLBYFGCHGQC-IUODEOHRSA-N 2 0 275.396 1.920 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000620620196 350289700 /nfs/dbraw/zinc/28/97/00/350289700.db2.gz BUQOVIZVZCGYDP-CHWSQXEVSA-N 2 0 269.433 1.563 10 0 CDAERP CC(=O)Nc1ccc([C@H](C)[NH2+]CCOCCC[NH3+])cc1 ZINC000629541270 362964749 /nfs/dbraw/zinc/96/47/49/362964749.db2.gz YPMUDZLIKZVHAM-LBPRGKRZSA-N 2 0 279.384 1.661 10 0 CDAERP CC(=O)Nc1cccc([C@@H](C)[NH2+]CCOCCC[NH3+])c1 ZINC000629540969 362963523 /nfs/dbraw/zinc/96/35/23/362963523.db2.gz QGUHCRBOPRXZAQ-GFCCVEGCSA-N 2 0 279.384 1.661 10 0 CDAERP Cn1cnc(CC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000313261867 350825538 /nfs/dbraw/zinc/82/55/38/350825538.db2.gz JYQISEKBJZDNNG-HUUCEWRRSA-N 2 0 256.353 1.697 10 0 CDAERP C[NH+]1CCC2(CCCN2C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000335168334 282731922 /nfs/dbraw/zinc/73/19/22/282731922.db2.gz HNIGMUBPKDNCNP-CQSZACIVSA-N 2 0 294.443 1.398 10 0 CDAERP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2C[C@H](C(N)=O)C2)CC1 ZINC000624130456 351432976 /nfs/dbraw/zinc/43/29/76/351432976.db2.gz OGDJBDWBJCPIJP-SDADXPQNSA-N 2 0 293.455 1.883 10 0 CDAERP FCC[C@H]1C[N@H+](CCCC2CC[NH2+]CC2)CCO1 ZINC000629581379 363043437 /nfs/dbraw/zinc/04/34/37/363043437.db2.gz YQTWSZHJUVYDBX-AWEZNQCLSA-N 2 0 258.381 1.827 10 0 CDAERP Cc1cc(C2([NH2+]C[C@@H]3CC[NH2+][C@H](C)C3)CCOCC2)on1 ZINC000629672452 363340328 /nfs/dbraw/zinc/34/03/28/363340328.db2.gz OJXYIZVGZRPHCC-TZMCWYRMSA-N 2 0 293.411 1.966 10 0 CDAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000336342683 363407117 /nfs/dbraw/zinc/40/71/17/363407117.db2.gz UAJMMJSBYHXARP-HZMBPMFUSA-N 2 0 259.353 1.018 10 0 CDAERP C[C@@H](C[NH3+])CNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000417201243 295891662 /nfs/dbraw/zinc/89/16/62/295891662.db2.gz VVURDCFNVIENMR-ZFWWWQNUSA-N 2 0 292.427 1.053 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000340377244 283057598 /nfs/dbraw/zinc/05/75/98/283057598.db2.gz IEFLPWSKOQNMJV-RDJZCZTQSA-N 2 0 289.423 1.890 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](CO)C2)[C@@H]2CCC[C@@H]21 ZINC000414349952 283140722 /nfs/dbraw/zinc/14/07/22/283140722.db2.gz YOXPQHRXCZOBOF-QRJUGERDSA-N 2 0 266.429 2.000 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000234782949 140231767 /nfs/dbraw/zinc/23/17/67/140231767.db2.gz UVDZLUJBZVDJTJ-GJZGRUSLSA-N 3 0 271.449 1.594 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000273737315 192285996 /nfs/dbraw/zinc/28/59/96/192285996.db2.gz RNJSSURRGBOMJA-CYBMUJFWSA-N 2 0 290.411 1.704 10 0 CDAERP c1cc2c(cc1CN1CC[NH+](CC3CC3)CC1)C[NH2+]CC2 ZINC000211345272 356543209 /nfs/dbraw/zinc/54/32/09/356543209.db2.gz JVMRFWMEVAWOQW-UHFFFAOYSA-N 2 0 285.435 1.860 10 0 CDAERP C[NH+]1CCN(C[C@H](O)C[NH2+]CC2CCCCCC2)CC1 ZINC000644659872 366323640 /nfs/dbraw/zinc/32/36/40/366323640.db2.gz AOSGVNBYTWKEEU-MRXNPFEDSA-N 2 0 283.460 1.155 10 0 CDAERP [NH3+]CCCC(=O)N1CC[NH+](CCCc2ccccc2)CC1 ZINC000013782180 356690785 /nfs/dbraw/zinc/69/07/85/356690785.db2.gz HGKYBNVDLZNAIN-UHFFFAOYSA-N 2 0 289.423 1.502 10 0 CDAERP Cc1cnn(C[C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000072253954 356685506 /nfs/dbraw/zinc/68/55/06/356685506.db2.gz RVQWBHKUXRWTGA-HZPDHXFCSA-N 2 0 294.443 1.262 10 0 CDAERP CC(C)[NH+]1CCC([NH2+]C[C@@H](O)C[C@](C)(O)C2CC2)CC1 ZINC000634698322 357304276 /nfs/dbraw/zinc/30/42/76/357304276.db2.gz IRJKNNWZPJHDMP-HOTGVXAUSA-N 2 0 284.444 1.361 10 0 CDAERP CN(CC[NH+]1CCCCC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000636127186 363580908 /nfs/dbraw/zinc/58/09/08/363580908.db2.gz KASMFQJORXDOTH-CQSZACIVSA-N 2 0 267.417 1.273 10 0 CDAERP C(CC1CC[NH2+]CC1)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000094462445 482789527 /nfs/dbraw/zinc/78/95/27/482789527.db2.gz MMEBNFWXRJNLPJ-OAHLLOKOSA-N 2 0 251.418 1.546 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000566171847 358275218 /nfs/dbraw/zinc/27/52/18/358275218.db2.gz VEUJHYPJYBMLIJ-RBSFLKMASA-N 2 0 281.444 1.885 10 0 CDAERP O=C(C[C@@H]1CCC[NH2+]C1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000054291712 358710638 /nfs/dbraw/zinc/71/06/38/358710638.db2.gz HRZHAKFRZQFNTL-MJBXVCDLSA-N 2 0 265.401 1.119 10 0 CDAERP C[NH+](C)Cc1ccccc1CNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054308843 358711955 /nfs/dbraw/zinc/71/19/55/358711955.db2.gz UTHFCQXJYHZETJ-CQSZACIVSA-N 2 0 289.423 1.754 10 0 CDAERP C[NH+](C)Cc1ccccc1CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054308842 358712150 /nfs/dbraw/zinc/71/21/50/358712150.db2.gz UTHFCQXJYHZETJ-AWEZNQCLSA-N 2 0 289.423 1.754 10 0 CDAERP CC[C@@H](C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)[NH+](C)C ZINC000119627758 358997195 /nfs/dbraw/zinc/99/71/95/358997195.db2.gz HDXMUCONOMPKRW-GJZGRUSLSA-N 2 0 281.444 1.804 10 0 CDAERP C[C@H]1CN(Cc2cccc(-n3cccn3)c2)C[C@@H]1[NH3+] ZINC000261923334 359090419 /nfs/dbraw/zinc/09/04/19/359090419.db2.gz BWJOLTUWHPZOQH-WFASDCNBSA-N 2 0 256.353 1.651 10 0 CDAERP CCc1nc(CN[C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cs1 ZINC000262048403 359130481 /nfs/dbraw/zinc/13/04/81/359130481.db2.gz ZHZBUEMFUHHSQI-BFHYXJOUSA-N 2 0 295.452 1.952 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]CCc2cccc(OC)n2)[C@@H](C)C1 ZINC000347424002 359361066 /nfs/dbraw/zinc/36/10/66/359361066.db2.gz YYROAQTWQWPGKY-ZFWWWQNUSA-N 2 0 277.412 1.953 10 0 CDAERP C[C@@H]1CCC[C@H]([NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)C1 ZINC000422705348 359650299 /nfs/dbraw/zinc/65/02/99/359650299.db2.gz RHRGFFDISYIEMA-UNQGMJICSA-N 2 0 252.402 1.922 10 0 CDAERP C[NH+]1CCC(CC[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)CC1 ZINC000422734012 359652012 /nfs/dbraw/zinc/65/20/12/359652012.db2.gz BXQUULWYQUXQKQ-CVEARBPZSA-N 2 0 281.444 1.075 10 0 CDAERP C[N@H+](CCNC(=O)NCc1ccc2c[nH+]cn2c1)C1CC1 ZINC000297062278 200074803 /nfs/dbraw/zinc/07/48/03/200074803.db2.gz CGYXHXXBJSGQPW-UHFFFAOYSA-N 2 0 287.367 1.228 10 0 CDAERP CC(C)C[C@H](CN[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)[NH+](C)C ZINC000422815445 359659213 /nfs/dbraw/zinc/65/92/13/359659213.db2.gz BRYYFRLHRWYIJX-PMPSAXMXSA-N 2 0 283.460 1.319 10 0 CDAERP CC[C@H](C)[N@H+](C)CCN[C@H](C)c1c[nH+]ccc1N ZINC000422911713 359669655 /nfs/dbraw/zinc/66/96/55/359669655.db2.gz ULRIJHIWSBYRJP-NWDGAFQWSA-N 2 0 250.390 1.875 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@H](CCO)C1CCCCC1 ZINC000422989648 359702546 /nfs/dbraw/zinc/70/25/46/359702546.db2.gz AZKFLVQQTXHBIR-HUUCEWRRSA-N 2 0 272.433 1.661 10 0 CDAERP CC[C@H]1CCC[C@H]1[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000348158813 359863167 /nfs/dbraw/zinc/86/31/67/359863167.db2.gz IIGLZUPIYMJBKZ-XJKSGUPXSA-N 2 0 293.455 1.898 10 0 CDAERP CC(C)[C@H](C(=O)NC1CC([NH+]2CCCCC2)C1)[C@@H](C)[NH3+] ZINC000423805443 359879518 /nfs/dbraw/zinc/87/95/18/359879518.db2.gz UHEVGPRFZXPJSM-URGYJCLVSA-N 2 0 281.444 1.739 10 0 CDAERP CC(C)(C)[C@@H](O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000336846815 359916211 /nfs/dbraw/zinc/91/62/11/359916211.db2.gz RCTXWAVXDOEYTC-INIZCTEOSA-N 2 0 298.471 1.970 10 0 CDAERP CC(C)(C[NH3+])C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000062032224 359951303 /nfs/dbraw/zinc/95/13/03/359951303.db2.gz YUOSHVDJGNGYGP-UHFFFAOYSA-N 2 0 267.417 1.306 10 0 CDAERP Nc1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)ccn1 ZINC000062035161 359951729 /nfs/dbraw/zinc/95/17/29/359951729.db2.gz JKQFGHWZUOUKTN-UHFFFAOYSA-N 2 0 274.412 1.972 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](C[C@H](O)CC2(O)CCC2)CC1 ZINC000528352664 359961189 /nfs/dbraw/zinc/96/11/89/359961189.db2.gz RHFNPUFKXMDCPH-MRXNPFEDSA-N 2 0 298.471 1.706 10 0 CDAERP Cn1ccnc1C[C@H]1CCCN(C(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000335369243 360110172 /nfs/dbraw/zinc/11/01/72/360110172.db2.gz VDAXLJJREVGYEV-CJNGLKHVSA-N 2 0 290.411 1.201 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000335458156 360208817 /nfs/dbraw/zinc/20/88/17/360208817.db2.gz SKBDTDQFGJRESC-OAHLLOKOSA-N 2 0 293.455 1.853 10 0 CDAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NCC1CCC1 ZINC000337582221 360260081 /nfs/dbraw/zinc/26/00/81/360260081.db2.gz CIJJVJJDWNTDJN-UHFFFAOYSA-N 2 0 298.475 1.702 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(C)CCC[NH+](C)C)C1 ZINC000185990087 363719071 /nfs/dbraw/zinc/71/90/71/363719071.db2.gz ALCXYKJKGXZFLJ-HNNXBMFYSA-N 2 0 298.475 1.700 10 0 CDAERP [NH3+]C1(CN[C@H](C2CC2)[C@H]2C[NH2+]CCO2)CCCCCC1 ZINC000643498747 360361011 /nfs/dbraw/zinc/36/10/11/360361011.db2.gz PYQBTACRAWMQLE-HUUCEWRRSA-N 2 0 281.444 1.395 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2ccccc2CC[NH3+])C1 ZINC000514868926 360397227 /nfs/dbraw/zinc/39/72/27/360397227.db2.gz CANMRJVNRUECLB-CABCVRRESA-N 2 0 289.423 1.790 10 0 CDAERP C[N@@H+]1CC[C@H](NC[C@@H]2CCCC[NH2+]2)[C@H]2CCC[C@H]21 ZINC000643502714 360474199 /nfs/dbraw/zinc/47/41/99/360474199.db2.gz OPODIAUTAZXRBM-LJISPDSOSA-N 2 0 251.418 1.591 10 0 CDAERP C[NH+]1CCN(CCC[NH2+][C@H]2CC[C@H]2C2CCC2)CC1 ZINC000337998217 360608995 /nfs/dbraw/zinc/60/89/95/360608995.db2.gz RHZCRPJOGHGDFD-HOTGVXAUSA-N 2 0 265.445 1.792 10 0 CDAERP C[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)[C@H]1CCC[NH2+]C1 ZINC000635010492 360654571 /nfs/dbraw/zinc/65/45/71/360654571.db2.gz MOMIDRXHMSDWPF-KGLIPLIRSA-N 3 0 273.424 1.810 10 0 CDAERP C[C@H]1CC[C@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)C[NH2+]1 ZINC000626941991 360673831 /nfs/dbraw/zinc/67/38/31/360673831.db2.gz IJPWLQRFRMHEMY-WFASDCNBSA-N 2 0 294.443 1.301 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000418704257 296021967 /nfs/dbraw/zinc/02/19/67/296021967.db2.gz RDMSJQCBTRMAIW-ZIAGYGMSSA-N 2 0 292.427 1.496 10 0 CDAERP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CCNC1=O ZINC000179060789 189165660 /nfs/dbraw/zinc/16/56/60/189165660.db2.gz HDFZTTMIMCYKKO-OAHLLOKOSA-N 2 0 275.396 1.507 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000366177012 361081410 /nfs/dbraw/zinc/08/14/10/361081410.db2.gz BQZCIOGAVCHGFB-SOUVJXGZSA-N 2 0 279.428 1.413 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000416866521 291279393 /nfs/dbraw/zinc/27/93/93/291279393.db2.gz AZVSPFJRQRGEHN-KBPBESRZSA-N 2 0 282.432 1.240 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000417007382 291279478 /nfs/dbraw/zinc/27/94/78/291279478.db2.gz HIPVKAMGETXRCL-ZFWWWQNUSA-N 2 0 296.459 1.772 10 0 CDAERP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000644141868 363985244 /nfs/dbraw/zinc/98/52/44/363985244.db2.gz GWVTZPVYKAFMLB-ZDEQEGDKSA-N 2 0 271.380 1.100 10 0 CDAERP CC[C@@H]1C[N@H+](CC)CCN1C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000457718904 364101347 /nfs/dbraw/zinc/10/13/47/364101347.db2.gz XFKUXWMRASWQFI-HUUCEWRRSA-N 2 0 298.475 1.842 10 0 CDAERP CC[N@H+](C)C[C@@H](O)CN(CC[NH+]1CCCCCC1)C(C)C ZINC000566425098 370716190 /nfs/dbraw/zinc/71/61/90/370716190.db2.gz SLKWTTYAVKTLRX-QGZVFWFLSA-N 2 0 299.503 1.885 10 0 CDAERP C[C@H]([NH3+])CCC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000248891743 364340739 /nfs/dbraw/zinc/34/07/39/364340739.db2.gz WKACRIKYDOIPAM-MJBXVCDLSA-N 2 0 283.460 1.987 10 0 CDAERP CC[NH+]1CCC(CC[NH2+]Cc2cncn2C)CC1 ZINC000174551579 364492589 /nfs/dbraw/zinc/49/25/89/364492589.db2.gz PVUNDBGSRREDJO-UHFFFAOYSA-N 2 0 250.390 1.632 10 0 CDAERP CC[NH+](CC)[C@@H](C)CNC(=O)NCC1CC[NH+](C)CC1 ZINC000105125122 364689739 /nfs/dbraw/zinc/68/97/39/364689739.db2.gz PQIWVDFDMYEICG-ZDUSSCGKSA-N 2 0 284.448 1.358 10 0 CDAERP O[C@@H](C[C@@H]1COCCN1CCn1ccnc1)c1ccco1 ZINC000163321203 364710981 /nfs/dbraw/zinc/71/09/81/364710981.db2.gz MNNFBUMZZNUITB-KGLIPLIRSA-N 2 0 291.351 1.301 10 0 CDAERP C[NH+](C)Cc1cccc(NC(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000170874687 365149135 /nfs/dbraw/zinc/14/91/35/365149135.db2.gz SBBANFHCSVZBHT-HNNXBMFYSA-N 2 0 290.411 1.916 10 0 CDAERP C[N@@H+]1CC[C@H](NCC[NH+]2CCCC2)[C@@H]2CCC[C@H]21 ZINC000353435577 365203831 /nfs/dbraw/zinc/20/38/31/365203831.db2.gz MKTYZWRDNXKFLP-SOUVJXGZSA-N 2 0 251.418 1.545 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353502873 365262801 /nfs/dbraw/zinc/26/28/01/365262801.db2.gz MKUUKRRBEVUZOA-YYIAUSFCSA-N 3 0 294.487 1.085 10 0 CDAERP CC[NH+](CC)CCO[C@@H]1CCN(C[C@@H]([NH3+])CC(C)C)C1 ZINC000414744574 241362041 /nfs/dbraw/zinc/36/20/41/241362041.db2.gz OMJNTADZCVCGDO-JKSUJKDBSA-N 2 0 285.476 1.793 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C[NH2+]1 ZINC000626979962 367124467 /nfs/dbraw/zinc/12/44/67/367124467.db2.gz NKJIHHYWENAFHO-MGPQQGTHSA-N 2 0 298.475 1.793 10 0 CDAERP C(C[C@@H]1CCC[NH2+]C1)[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000414832644 367090992 /nfs/dbraw/zinc/09/09/92/367090992.db2.gz FJGAPVWSPJGXGU-JONQDZQNSA-N 3 0 265.445 1.886 10 0 CDAERP CC(C)C[C@H]([NH3+])CNC[C@H]1[NH2+]CCc2ccccc21 ZINC000414943129 370839429 /nfs/dbraw/zinc/83/94/29/370839429.db2.gz CPIFUKNJJUEQED-GOEBONIOSA-N 2 0 261.413 1.836 10 0 CDAERP c1ncn(-c2ccc(C[NH2+]CCC[NH2+]C3CC3)cc2)n1 ZINC000415073463 241544687 /nfs/dbraw/zinc/54/46/87/241544687.db2.gz YNLOFIFOQSAFEF-UHFFFAOYSA-N 2 0 271.368 1.499 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)C[N@@H+]1C1CC1 ZINC000626997299 367217526 /nfs/dbraw/zinc/21/75/26/367217526.db2.gz QAKLXHYDFUGNCF-FVCCEPFGSA-N 2 0 280.416 1.051 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627038641 367280442 /nfs/dbraw/zinc/28/04/42/367280442.db2.gz PMMQMIUMBNPDTR-MJBXVCDLSA-N 2 0 284.448 1.547 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCCCC[NH+]1CCCC1 ZINC000627045975 367296736 /nfs/dbraw/zinc/29/67/36/367296736.db2.gz GWLWHCLTWVOQDY-UONOGXRCSA-N 2 0 282.432 1.302 10 0 CDAERP CC[NH2+]CCNCc1ccc2c(c1)sc(=O)n2C ZINC000414846584 367433961 /nfs/dbraw/zinc/43/39/61/367433961.db2.gz NNSYYLIPJYVSMK-UHFFFAOYSA-N 2 0 265.382 1.299 10 0 CDAERP C[C@H]1CN(C)C[C@@H]1[NH2+]CCNC(=O)c1ccccc1Cl ZINC000358140371 367463544 /nfs/dbraw/zinc/46/35/44/367463544.db2.gz MWEQSTYMKRFXDW-FZMZJTMJSA-N 2 0 295.814 1.610 10 0 CDAERP C[NH+](C)CCCC[NH2+]Cc1ccc2c(c1)NC(=O)CO2 ZINC000231643248 367551151 /nfs/dbraw/zinc/55/11/51/367551151.db2.gz FRJRQANASPSSSE-UHFFFAOYSA-N 2 0 277.368 1.449 10 0 CDAERP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]CCc1cnc(C2CC2)nc1 ZINC000358223254 367522165 /nfs/dbraw/zinc/52/21/65/367522165.db2.gz JUGHGLFEDMLABP-BLLLJJGKSA-N 2 0 286.423 1.969 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000627159078 367588178 /nfs/dbraw/zinc/58/81/78/367588178.db2.gz LROXKGIMQFTPSA-QWHCGFSZSA-N 2 0 282.432 1.301 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCCC[NH+]1CCCCC1 ZINC000416868017 242196361 /nfs/dbraw/zinc/19/63/61/242196361.db2.gz DRLMPHOCENDIPA-KGLIPLIRSA-N 2 0 282.432 1.160 10 0 CDAERP O=C(NCCC[NH+]1CCCCC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000416896155 242215855 /nfs/dbraw/zinc/21/58/55/242215855.db2.gz VOYXJSPRVBQJGJ-GJZGRUSLSA-N 2 0 294.443 1.256 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000417028876 242279174 /nfs/dbraw/zinc/27/91/74/242279174.db2.gz CAGXZZXDXIBGCJ-XGUBFFRZSA-N 2 0 298.475 1.779 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[NH2+]1 ZINC000627206436 367700704 /nfs/dbraw/zinc/70/07/04/367700704.db2.gz FWIYHULWYKPUHN-ARJVPZMDSA-N 2 0 294.443 1.394 10 0 CDAERP CC(C)[N@@H+]1CCCN(C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627196387 367683286 /nfs/dbraw/zinc/68/32/86/367683286.db2.gz ITYPLLGMNUGKNX-ZIAGYGMSSA-N 2 0 282.432 1.253 10 0 CDAERP CCCN(CC[NH+](CC)CC)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627204047 367698624 /nfs/dbraw/zinc/69/86/24/367698624.db2.gz ARVVLBYUBZEYDK-LSDHHAIUSA-N 2 0 298.475 1.890 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)[C@@H](C)C1 ZINC000418552628 243205975 /nfs/dbraw/zinc/20/59/75/243205975.db2.gz MQAJOFKZQGLJJD-BARDWOONSA-N 2 0 296.459 1.356 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)[C@H](C)C1 ZINC000418562556 243215642 /nfs/dbraw/zinc/21/56/42/243215642.db2.gz GKSNUVKTUWFGKD-BARDWOONSA-N 2 0 296.459 1.628 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC[N@@H+]1C ZINC000418586853 243243451 /nfs/dbraw/zinc/24/34/51/243243451.db2.gz FZGDPYAOQPKKPE-YUELXQCFSA-N 2 0 296.459 1.628 10 0 CDAERP CCCN(CC[NH+](CC)CC)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000418624684 243289904 /nfs/dbraw/zinc/28/99/04/243289904.db2.gz ZOJMKMYYDDENFI-GJZGRUSLSA-N 2 0 298.475 1.748 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)N[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000418689829 243342749 /nfs/dbraw/zinc/34/27/49/243342749.db2.gz CGLGUICSJRUQBY-CHWSQXEVSA-N 2 0 284.448 1.486 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCn2ccnc2)[C@H]2CCC[C@@H]21 ZINC000367611332 369198731 /nfs/dbraw/zinc/19/87/31/369198731.db2.gz BRKXQIFLWSKIOB-ILXRZTDVSA-N 2 0 262.401 1.736 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C(N)=O)c2)[C@H]2CCC[C@@H]21 ZINC000367622716 369201016 /nfs/dbraw/zinc/20/10/16/369201016.db2.gz VFJQZCYHVXLILB-PMPSAXMXSA-N 2 0 287.407 1.748 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000368210128 369394242 /nfs/dbraw/zinc/39/42/42/369394242.db2.gz YDRIKVVRMLVYLZ-LBPRGKRZSA-N 2 0 293.415 1.298 10 0 CDAERP CC1CC[NH+](CCCNC(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652121731 412778777 /nfs/dbraw/zinc/77/87/77/412778777.db2.gz UDPUEPMQPPUVLE-UHFFFAOYSA-N 2 0 296.459 1.537 10 0 CDAERP CCN(C(=O)C[NH2+]C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000368453908 369482242 /nfs/dbraw/zinc/48/22/42/369482242.db2.gz NELZEPHUGAKZFR-ZBFHGGJFSA-N 2 0 289.423 1.890 10 0 CDAERP C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)OC[C@H]1CCCO1 ZINC000567386937 370975154 /nfs/dbraw/zinc/97/51/54/370975154.db2.gz RKYDZPORZOEQGT-QLFBSQMISA-N 2 0 268.401 1.113 10 0 CDAERP CC[NH+](CC)CC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000119366293 370077154 /nfs/dbraw/zinc/07/71/54/370077154.db2.gz KQGQNPDPQSZKKR-CQSZACIVSA-N 2 0 269.433 1.565 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)CSC)[C@@H](C)C1 ZINC000249423062 370147108 /nfs/dbraw/zinc/14/71/08/370147108.db2.gz DXOXASOPZSTQQD-XQQFMLRXSA-N 2 0 260.447 1.372 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000418176606 370250872 /nfs/dbraw/zinc/25/08/72/370250872.db2.gz CFORFDPNYLRZIH-ZNMIVQPWSA-N 2 0 294.443 1.397 10 0 CDAERP COC[C@H](C)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000249892657 370187814 /nfs/dbraw/zinc/18/78/14/370187814.db2.gz QZWRXNKKKCWFBX-FVQBIDKESA-N 2 0 284.444 1.626 10 0 CDAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@@]1(C)CC[NH2+]C1 ZINC000261965789 370265899 /nfs/dbraw/zinc/26/58/99/370265899.db2.gz HRWVFGJEUFCKKC-ILXRZTDVSA-N 2 0 251.418 1.545 10 0 CDAERP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H](CCOC)C1 ZINC000565162318 370364183 /nfs/dbraw/zinc/36/41/83/370364183.db2.gz HUAWXOVNNXSFKJ-HUUCEWRRSA-N 2 0 272.433 1.438 10 0 CDAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000414929753 370428279 /nfs/dbraw/zinc/42/82/79/370428279.db2.gz OKPHKXAHVQVHIL-XGUBFFRZSA-N 2 0 253.434 1.885 10 0 CDAERP [NH3+]CC[C@@H](NC(=O)NCC1([NH3+])CCCCCC1)C(F)F ZINC000418287168 370563731 /nfs/dbraw/zinc/56/37/31/370563731.db2.gz SPEVHQYUEUNLBB-SNVBAGLBSA-N 2 0 292.374 1.320 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1cccc(N(C)C)c1 ZINC000422721075 245177629 /nfs/dbraw/zinc/17/76/29/245177629.db2.gz UJUCUEXGBHUUHC-AWEZNQCLSA-N 2 0 265.401 1.596 10 0 CDAERP C[NH+]1CC[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)[C@H]2CCC[C@@H]21 ZINC000375848060 371001216 /nfs/dbraw/zinc/00/12/16/371001216.db2.gz CJOXXUPKQBDVAY-OAGGEKHMSA-N 3 0 263.429 1.711 10 0 CDAERP [NH3+]CC1CCC([NH2+]C[C@@H](O)Cc2ccccc2)CC1 ZINC000422747654 245209201 /nfs/dbraw/zinc/20/92/01/245209201.db2.gz ZERMWMPLHLLKOL-GPANFISMSA-N 2 0 262.397 1.697 10 0 CDAERP C[C@H](NC(=O)CC[C@@H]1CCCC[N@@H+]1C)[C@H]1CCC[NH2+]C1 ZINC000567834817 371165107 /nfs/dbraw/zinc/16/51/07/371165107.db2.gz GSFKDWHBCPDIDP-KKUMJFAQSA-N 2 0 281.444 1.755 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H](C)CN1C[C@H](C)C[C@@H](C)C1 ZINC000422877939 245363985 /nfs/dbraw/zinc/36/39/85/245363985.db2.gz JANYCBDYDCJZGE-FPCVCCKLSA-N 2 0 285.476 1.696 10 0 CDAERP C[NH+](C)CCCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000377912319 371744696 /nfs/dbraw/zinc/74/46/96/371744696.db2.gz LSJJUBNBOQEXRG-CQSZACIVSA-N 2 0 273.396 1.267 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C[Si](C)(C)C)CC1 ZINC000171922089 372254254 /nfs/dbraw/zinc/25/42/54/372254254.db2.gz VPINPILEWGLKNW-HNNXBMFYSA-N 2 0 283.536 1.966 10 0 CDAERP C[C@H](N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@@H]1CCC[NH2+]C1 ZINC000643460337 372434593 /nfs/dbraw/zinc/43/45/93/372434593.db2.gz RJBGEAYDJJWQEZ-GBJTYRQASA-N 2 0 253.434 1.837 10 0 CDAERP CC[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381860783 373004354 /nfs/dbraw/zinc/00/43/54/373004354.db2.gz IVYGTWYVYPKEJQ-LSDHHAIUSA-N 2 0 275.396 1.457 10 0 CDAERP C[C@@H]1C[C@@H](NC[C@H]([NH3+])c2ccccc2)C[N@@H+]1C1CC1 ZINC000423237007 245686913 /nfs/dbraw/zinc/68/69/13/245686913.db2.gz HUAKSABYVPSYIA-XPKDYRNWSA-N 2 0 259.397 1.901 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000341129163 373329350 /nfs/dbraw/zinc/32/93/50/373329350.db2.gz OSSGTMGGYOJZPN-HNNXBMFYSA-N 2 0 294.443 1.374 10 0 CDAERP CCNC(=O)N1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000193022025 373667956 /nfs/dbraw/zinc/66/79/56/373667956.db2.gz GJYNVBGRJVXANH-RLAWYHOSSA-N 2 0 280.416 1.005 10 0 CDAERP CC(C)[NH2+]CCN1CCCC[C@@H]1CN1CCOCC1 ZINC000193451794 373749887 /nfs/dbraw/zinc/74/98/87/373749887.db2.gz MOIMSXCJCURZQA-OAHLLOKOSA-N 2 0 269.433 1.171 10 0 CDAERP CO[C@H](C[NH+]1CCC([NH2+]CCO)CC1)C1CCCCC1 ZINC000631863041 374084210 /nfs/dbraw/zinc/08/42/10/374084210.db2.gz WXFATCVIURSLIT-MRXNPFEDSA-N 2 0 284.444 1.628 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CCC[NH+](CC)C1 ZINC000066187593 374307115 /nfs/dbraw/zinc/30/71/15/374307115.db2.gz ACOOQWOQEOSGHJ-ZIAGYGMSSA-N 2 0 284.448 1.500 10 0 CDAERP CC[C@@H]([NH3+])CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000418716630 374523310 /nfs/dbraw/zinc/52/33/10/374523310.db2.gz SGKFHTRDFYBPPT-ZIAGYGMSSA-N 2 0 282.432 1.384 10 0 CDAERP CN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CCC[N@H+](C)C1 ZINC000334310120 374873432 /nfs/dbraw/zinc/87/34/32/374873432.db2.gz NXPBYCMFVNLQRN-AWEZNQCLSA-N 2 0 267.417 1.271 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415995076 375516436 /nfs/dbraw/zinc/51/64/36/375516436.db2.gz JOUITHBJVFIYQR-UHFFFAOYSA-N 2 0 276.384 1.752 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000417001766 375713070 /nfs/dbraw/zinc/71/30/70/375713070.db2.gz FNNQTYLBYHOAQV-YNEHKIRRSA-N 2 0 270.421 1.095 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000417337762 375785508 /nfs/dbraw/zinc/78/55/08/375785508.db2.gz XPSIUTJPRCQKGM-STQMWFEESA-N 2 0 296.459 1.676 10 0 CDAERP C[C@H](CNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)[NH+]1CCC(C)CC1 ZINC000417312883 375763544 /nfs/dbraw/zinc/76/35/44/375763544.db2.gz OMHHUGNPOICCOX-RBSFLKMASA-N 2 0 296.459 1.404 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1nn(C)c2ccccc12 ZINC000643481008 376132166 /nfs/dbraw/zinc/13/21/66/376132166.db2.gz AQFQJCSBIXJIAZ-LBPRGKRZSA-N 2 0 276.384 1.417 10 0 CDAERP CC[C@]1(C(=O)N2CCC(CC)([NH+](C)C)CC2)CCC[NH2+]1 ZINC000638975776 376322645 /nfs/dbraw/zinc/32/26/45/376322645.db2.gz POLXUABFLNXRLQ-MRXNPFEDSA-N 2 0 281.444 1.851 10 0 CDAERP COCC[N@H+](C)CCCC1CCN(CC[NH3+])CC1 ZINC000420358488 376334182 /nfs/dbraw/zinc/33/41/82/376334182.db2.gz JDKYVQPOWIBRPG-UHFFFAOYSA-N 2 0 257.422 1.016 10 0 CDAERP C[C@@H](NC(=O)[C@@H](C)N1CC[C@](C)(C[NH3+])C1)c1ccccc1 ZINC000631825767 376656341 /nfs/dbraw/zinc/65/63/41/376656341.db2.gz UCRSEQWFQOLYSS-CKEIUWERSA-N 2 0 289.423 1.923 10 0 CDAERP Cn1c2cc(CN3CCC4(CC[NH2+]4)CC3)ccc2oc1=O ZINC000631828256 376662698 /nfs/dbraw/zinc/66/26/98/376662698.db2.gz KDQHMYALXBEHFO-UHFFFAOYSA-N 2 0 287.363 1.459 10 0 CDAERP CCn1nccc1CCN1CCCCC[C@H]([NH3+])C1 ZINC000631835587 376681081 /nfs/dbraw/zinc/68/10/81/376681081.db2.gz VKFSPTWYIUTFPC-ZDUSSCGKSA-N 2 0 250.390 1.649 10 0 CDAERP C(CN1CCC[C@H]2C[NH2+]CC[C@@H]21)C[NH+]1CCCCC1 ZINC000631889436 376783997 /nfs/dbraw/zinc/78/39/97/376783997.db2.gz GGOXNPMNEKGQKG-HOTGVXAUSA-N 2 0 265.445 1.936 10 0 CDAERP C(CN1CCC[C@H]2C[NH2+]CC[C@@H]21)C1CC[NH2+]CC1 ZINC000631891261 376787338 /nfs/dbraw/zinc/78/73/38/376787338.db2.gz ZVLUTJFGRFUWHQ-GJZGRUSLSA-N 2 0 251.418 1.450 10 0 CDAERP CC[N@H+](C)C[C@@H]1CCN(CC(=O)NC(C)(C)CC)C1 ZINC000072859175 376811321 /nfs/dbraw/zinc/81/13/21/376811321.db2.gz PGQHDBPXUPCOHA-ZDUSSCGKSA-N 2 0 269.433 1.565 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]CCNC(=O)c2ccccc2)[C@@H](C)C1 ZINC000247085589 377045449 /nfs/dbraw/zinc/04/54/49/377045449.db2.gz RFJJPMBBHLABLI-HOCLYGCPSA-N 2 0 289.423 1.736 10 0 CDAERP C[NH2+]C[C@@H]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000571762163 377510720 /nfs/dbraw/zinc/51/07/20/377510720.db2.gz BAEPHKLJXPAPPX-LBPRGKRZSA-N 2 0 276.384 1.219 10 0 CDAERP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CC1CC[NH2+]CC1 ZINC000094440777 378144200 /nfs/dbraw/zinc/14/42/00/378144200.db2.gz YMNSIIVWYFXNDI-DZGCQCFKSA-N 2 0 251.418 1.545 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)CC[N@@H+]1C ZINC000633202591 378202934 /nfs/dbraw/zinc/20/29/34/378202934.db2.gz UNQLPRIEUBKLIS-FQUUOJAGSA-N 2 0 267.417 1.268 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)C[NH+](C)C)CC[N@@H+]1C ZINC000633173507 378175393 /nfs/dbraw/zinc/17/53/93/378175393.db2.gz HNOOHGQLCNNSRO-RWMBFGLXSA-N 2 0 255.406 1.031 10 0 CDAERP C[C@@H](C(=O)N(C)[C@H]1CC[NH+](C2CC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000444010639 250072173 /nfs/dbraw/zinc/07/21/73/250072173.db2.gz HBWDGUOENWWBHL-FQLMCAECSA-N 2 0 293.455 1.943 10 0 CDAERP CC[C@@](C)(O)C[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000344074216 379136866 /nfs/dbraw/zinc/13/68/66/379136866.db2.gz QEYAPENHFKAVFN-OAHLLOKOSA-N 2 0 274.368 1.826 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CCO[C@H]1C ZINC000657573614 412906484 /nfs/dbraw/zinc/90/64/84/412906484.db2.gz RBZNXCQXWSXWDM-MELADBBJSA-N 2 0 257.422 1.025 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655912553 412916271 /nfs/dbraw/zinc/91/62/71/412916271.db2.gz VWKHEMVJRWUQOP-UWVGGRQHSA-N 2 0 296.337 1.050 10 0 CDAERP CC[C@H]1C[N@H+](CC)CCN1C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655932548 412947187 /nfs/dbraw/zinc/94/71/87/412947187.db2.gz XFNGOTKSUUXDJS-VHSXEESVSA-N 2 0 296.337 1.002 10 0 CDAERP C[C@@H](CNC(=O)C[C@H]1CC[NH2+]C1)[N@@H+]1CCC[C@H](C)C1 ZINC000662388705 412949887 /nfs/dbraw/zinc/94/98/87/412949887.db2.gz SREOLXWLCQUYEI-MELADBBJSA-N 2 0 267.417 1.223 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CC2(C(=O)OC)CC2)[C@@H](C)C1 ZINC000450571842 251344906 /nfs/dbraw/zinc/34/49/06/251344906.db2.gz SOZYLRCXBQSSPK-STQMWFEESA-N 2 0 268.401 1.602 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)C[NH2+]C1CCCC1)c1cccs1 ZINC000040827304 184549727 /nfs/dbraw/zinc/54/97/27/184549727.db2.gz MHVWWVXJJICOAY-CYBMUJFWSA-N 2 0 295.452 1.999 10 0 CDAERP C[C@H]1CCC[C@](CNC(=O)C[C@H]2CC[NH2+]C2)([NH+](C)C)C1 ZINC000662401363 412965855 /nfs/dbraw/zinc/96/58/55/412965855.db2.gz SAWUNLBFWIRLKR-LZWOXQAQSA-N 2 0 281.444 1.613 10 0 CDAERP CCN(C(=O)NCCC1CC[NH+](C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000663982290 412995154 /nfs/dbraw/zinc/99/51/54/412995154.db2.gz BMALNCUMYJRIMQ-OAHLLOKOSA-N 2 0 296.459 1.454 10 0 CDAERP [NH3+][C@H]1CC[C@H](C(=O)N2CCC[N@@H+](C3CCCC3)CC2)C1 ZINC000262646429 390160523 /nfs/dbraw/zinc/16/05/23/390160523.db2.gz OIWSIYBKOLQDPL-KBPBESRZSA-N 2 0 279.428 1.591 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000646979435 390330470 /nfs/dbraw/zinc/33/04/70/390330470.db2.gz MVQMUUFREXJHGB-IUODEOHRSA-N 2 0 275.396 1.476 10 0 CDAERP C[C@@]1(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)CC[NH2+]C1 ZINC000647538364 390686680 /nfs/dbraw/zinc/68/66/80/390686680.db2.gz ONHVUVBCXDPCJZ-JKSUJKDBSA-N 2 0 259.397 1.946 10 0 CDAERP COc1ncncc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000647217323 390882313 /nfs/dbraw/zinc/88/23/13/390882313.db2.gz LOZVWPVCVOCGDX-LBPRGKRZSA-N 2 0 264.373 1.307 10 0 CDAERP CC(C)Cn1ccnc1CNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000417740741 391004694 /nfs/dbraw/zinc/00/46/94/391004694.db2.gz SDKMEOYGFNXERR-LBPRGKRZSA-N 2 0 279.388 1.090 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000417755259 391036217 /nfs/dbraw/zinc/03/62/17/391036217.db2.gz XGAPNPJSQMOANM-CQSZACIVSA-N 2 0 282.432 1.145 10 0 CDAERP [NH3+]C1(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CCC1 ZINC000336221466 391109975 /nfs/dbraw/zinc/10/99/75/391109975.db2.gz JLVBQHGPJBECPD-OAHLLOKOSA-N 2 0 293.455 1.982 10 0 CDAERP C[C@@H]([NH2+]CCn1cc(Br)cn1)[C@H]1CC[NH2+]C1 ZINC000400361160 533407520 /nfs/dbraw/zinc/40/75/20/533407520.db2.gz NQQNORGICVHQLG-ZJUUUORDSA-N 2 0 287.205 1.233 10 0 CDAERP CN(C(=O)NCCC[NH2+]C1CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000418289626 391167372 /nfs/dbraw/zinc/16/73/72/391167372.db2.gz OXYXRPRPISOQBJ-AWEZNQCLSA-N 2 0 280.416 1.007 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCC[NH2+]C2CC2)[C@H](C)C1 ZINC000418290159 391172372 /nfs/dbraw/zinc/17/23/72/391172372.db2.gz ZRHSBACGYKKKAE-HIFRSBDPSA-N 2 0 296.459 1.500 10 0 CDAERP C(CC1CC[NH2+]CC1)CN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000647898340 391186352 /nfs/dbraw/zinc/18/63/52/391186352.db2.gz HFSGGRFSAIKPGY-OAHLLOKOSA-N 2 0 251.418 1.593 10 0 CDAERP C[C@@H]1CN(C)C[C@H]1[NH2+][C@H]1CCN(CC(F)(F)F)C1 ZINC000532464554 391201463 /nfs/dbraw/zinc/20/14/63/391201463.db2.gz GFBNOUPVVLUQCX-OUAUKWLOSA-N 2 0 265.323 1.163 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000648104818 391338806 /nfs/dbraw/zinc/33/88/06/391338806.db2.gz OLPSAHWYNXNKFL-SOUVJXGZSA-N 2 0 293.455 1.755 10 0 CDAERP C[C@H](NC(=O)NC[C@H]([NH3+])c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000418340107 391341985 /nfs/dbraw/zinc/34/19/85/391341985.db2.gz LDXFNNXXCQDIAY-CFVMTHIKSA-N 2 0 290.411 1.374 10 0 CDAERP CC[C@H]([NH3+])CNC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000417203775 391344588 /nfs/dbraw/zinc/34/45/88/391344588.db2.gz ZFOIGVFMNRHGRE-LSDHHAIUSA-N 2 0 292.427 1.196 10 0 CDAERP CCc1nnc(CN2CCC(C[NH+](CC)CC)CC2)[nH]1 ZINC000354844945 391435774 /nfs/dbraw/zinc/43/57/74/391435774.db2.gz IIFHPYBVZOSWSH-UHFFFAOYSA-N 2 0 279.432 1.921 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107666288 391524785 /nfs/dbraw/zinc/52/47/85/391524785.db2.gz VOFHOJRPZXZMAO-OAHLLOKOSA-N 2 0 281.444 1.804 10 0 CDAERP CCC[C@@H](C)C[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414985105 391683745 /nfs/dbraw/zinc/68/37/45/391683745.db2.gz MWXRPGIXGMBIGH-NEPJUHHUSA-N 2 0 281.366 1.848 10 0 CDAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2COc3ccc(OC)cc3C2)C1 ZINC000296200033 391691551 /nfs/dbraw/zinc/69/15/51/391691551.db2.gz YWRHNDFQYKVSHA-DZGCQCFKSA-N 2 0 290.407 1.930 10 0 CDAERP C[C@@H]1C[C@@H]1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415062078 391740540 /nfs/dbraw/zinc/74/05/40/391740540.db2.gz ZNYOFDCBEAPEBJ-LMRVLLHPSA-N 2 0 251.418 1.448 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NCc1cnn(Cc2ccc(F)cc2)c1 ZINC000415014605 391724023 /nfs/dbraw/zinc/72/40/23/391724023.db2.gz LSHVKJXVYDQZKU-VXGBXAGGSA-N 2 0 276.359 1.896 10 0 CDAERP CCC([NH3+])(CC)CNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000418133265 391758601 /nfs/dbraw/zinc/75/86/01/391758601.db2.gz MYWJDWITEBAVBV-UHFFFAOYSA-N 2 0 296.459 1.820 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC1(CC(N)=O)CC1 ZINC000421354147 391848927 /nfs/dbraw/zinc/84/89/27/391848927.db2.gz VRXCWJATKOTVCR-UHFFFAOYSA-N 2 0 299.378 1.321 10 0 CDAERP C[NH+](C)CCn1cc(NC(=O)[C@H]2[NH2+]CCCC2(C)C)cn1 ZINC000649312556 391986369 /nfs/dbraw/zinc/98/63/69/391986369.db2.gz YZAVHBJXLDTIJG-CYBMUJFWSA-N 2 0 293.415 1.161 10 0 CDAERP CN(C(=O)c1ccc2c(c1)CC[NH2+]CC2)C1(C[NH3+])CCC1 ZINC000334650669 391942180 /nfs/dbraw/zinc/94/21/80/391942180.db2.gz FCAZZKLWDFDAET-UHFFFAOYSA-N 2 0 287.407 1.328 10 0 CDAERP CC[C@@]1(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CCC[NH2+]1 ZINC000649319351 392011531 /nfs/dbraw/zinc/01/15/31/392011531.db2.gz YYNDZHXYHAXGIN-HNNXBMFYSA-N 2 0 285.351 1.738 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000334918874 391977001 /nfs/dbraw/zinc/97/70/01/391977001.db2.gz PTAFYOYBLYUELA-GJZGRUSLSA-N 2 0 294.443 1.112 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC[C@H]2O)[C@@H]2CCC[C@H]21 ZINC000453393037 392033020 /nfs/dbraw/zinc/03/30/20/392033020.db2.gz ZOFXPPNEEUBPAX-RFBLXINOSA-N 2 0 266.429 2.000 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000649328414 392038846 /nfs/dbraw/zinc/03/88/46/392038846.db2.gz YGOKWRRTOXWNCO-NWDGAFQWSA-N 2 0 289.370 1.174 10 0 CDAERP CCCCOC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000195176916 392053462 /nfs/dbraw/zinc/05/34/62/392053462.db2.gz PWCIUABMDBCJTK-KGLIPLIRSA-N 2 0 258.406 1.048 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)CCC(C)(C)[NH3+])CC[N@@H+]1C ZINC000649340937 392067463 /nfs/dbraw/zinc/06/74/63/392067463.db2.gz BGFQNGSJTMEKDD-NEPJUHHUSA-N 2 0 255.406 1.445 10 0 CDAERP Cc1cnc(CCN(C)C[C@@H](O)C[N@H+](C)C2CC2)s1 ZINC000336812598 392101198 /nfs/dbraw/zinc/10/11/98/392101198.db2.gz APINPIDBNFPDAL-CYBMUJFWSA-N 2 0 283.441 1.381 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H](CO)Cc1ccc(F)c(F)c1 ZINC000423071395 392316932 /nfs/dbraw/zinc/31/69/32/392316932.db2.gz HSTDHOZWFNRICQ-LOWVWBTDSA-N 2 0 286.366 1.831 10 0 CDAERP CCSCC[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000433027715 392320565 /nfs/dbraw/zinc/32/05/65/392320565.db2.gz WNGGWFLLSQTNPO-CYBMUJFWSA-N 2 0 260.447 1.830 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CC(=O)N(Cc2ccccc2)[C@H]1C ZINC000423110255 392352166 /nfs/dbraw/zinc/35/21/66/392352166.db2.gz VIZHQGWAAJHKII-RZLSGREXSA-N 2 0 289.423 1.891 10 0 CDAERP CC(C)C1CC([NH2+]C[C@H](C)N2CC[NH+](C)CC2)C1 ZINC000488423014 392353675 /nfs/dbraw/zinc/35/36/75/392353675.db2.gz AWADXBOYIHNURI-NFOMZHRRSA-N 2 0 253.434 1.647 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1c(F)cc(F)cc1F ZINC000423126966 392366043 /nfs/dbraw/zinc/36/60/43/392366043.db2.gz BJBDZOIUMMXHDZ-SNVBAGLBSA-N 2 0 276.302 1.947 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)c1ccc(C)cc1OC ZINC000629528640 392384413 /nfs/dbraw/zinc/38/44/13/392384413.db2.gz FXVRUYNGKJRAKE-CYBMUJFWSA-N 2 0 266.385 1.890 10 0 CDAERP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@](C)(c2ccccc2)C1 ZINC000568164763 392378795 /nfs/dbraw/zinc/37/87/95/392378795.db2.gz ZICDFNYZMODMAX-SJORKVTESA-N 2 0 276.424 1.963 10 0 CDAERP CN(C(=O)c1ccc(C[NH3+])o1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000646430780 392439456 /nfs/dbraw/zinc/43/94/56/392439456.db2.gz INSBKMWGDRHNDH-NSHDSACASA-N 2 0 263.341 1.047 10 0 CDAERP COc1cc2c(cc1F)CC[C@@H]2[NH2+]CCN1CC[NH2+]CC1 ZINC000423209184 392446910 /nfs/dbraw/zinc/44/69/10/392446910.db2.gz UVSOPEAZUXWPIY-HNNXBMFYSA-N 2 0 293.386 1.316 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CC[NH2+]1 ZINC000646384901 392402775 /nfs/dbraw/zinc/40/27/75/392402775.db2.gz RWVJUOOIAWCNEQ-JONQDZQNSA-N 2 0 293.455 1.613 10 0 CDAERP CC[C@H](Cn1cncn1)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423338877 392525820 /nfs/dbraw/zinc/52/58/20/392525820.db2.gz KZNSIDHPXMZINX-CHWSQXEVSA-N 2 0 251.378 1.036 10 0 CDAERP C[C@@H](NC[C@H]([NH3+])c1ccccc1)c1c[nH+]ccc1N ZINC000423253561 392472351 /nfs/dbraw/zinc/47/23/51/392472351.db2.gz WEEOCHIBFPVXBE-ABAIWWIYSA-N 2 0 256.353 1.845 10 0 CDAERP CC[NH+](CC)CCNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000573939902 392473451 /nfs/dbraw/zinc/47/34/51/392473451.db2.gz BWTSMKOXQQBEAJ-HNNXBMFYSA-N 2 0 282.432 1.113 10 0 CDAERP CC[C@@H](O)CC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000448855143 392546545 /nfs/dbraw/zinc/54/65/45/392546545.db2.gz XLWJJCLAVQWFQL-LSDHHAIUSA-N 2 0 299.459 1.022 10 0 CDAERP CC[NH+](CC)CCNC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000127759132 392627701 /nfs/dbraw/zinc/62/77/01/392627701.db2.gz MAAAHRWBAMNNSP-HUUCEWRRSA-N 2 0 298.475 1.700 10 0 CDAERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](COC)CC2CCOCC2)C1 ZINC000657841249 413054040 /nfs/dbraw/zinc/05/40/40/413054040.db2.gz OKCBGPWIALTWJW-HZPDHXFCSA-N 2 0 284.444 1.750 10 0 CDAERP COC(=O)C(C)(C)CC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000517372016 392879884 /nfs/dbraw/zinc/87/98/84/392879884.db2.gz PYVOHAIXBLGSDS-OAHLLOKOSA-N 2 0 268.401 1.651 10 0 CDAERP CCC[C@H](O)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000450397850 392934141 /nfs/dbraw/zinc/93/41/41/392934141.db2.gz YSJMSWCDCUDYEU-CVEARBPZSA-N 2 0 283.460 1.249 10 0 CDAERP C[C@@H]1CN(CCC[NH2+][C@@H]2CCC(=O)NC2(C)C)C[C@H](C)O1 ZINC000494894912 393124145 /nfs/dbraw/zinc/12/41/45/393124145.db2.gz ZNGDUAUZXSYNKK-HZSPNIEDSA-N 2 0 297.443 1.133 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+][C@@H]2C[C@@H](C)[C@H]2C)CC1 ZINC000494926229 393133532 /nfs/dbraw/zinc/13/35/32/393133532.db2.gz STURGWRSUDRWAA-RBSFLKMASA-N 2 0 253.434 1.648 10 0 CDAERP [NH3+][C@H](CC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)C1CC1 ZINC000825547359 781996777 /nfs/dbraw/zinc/99/67/77/781996777.db2.gz KWUIEPRJBNQQJY-MJBXVCDLSA-N 2 0 265.401 1.104 10 0 CDAERP CC[NH2+]CCNC(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000418321848 285592088 /nfs/dbraw/zinc/59/20/88/285592088.db2.gz CTGNQKUFYKCWEX-UHFFFAOYSA-N 2 0 284.448 1.359 10 0 CDAERP CC[C@H]1CN(CC[C@H]2CCC[N@@H+]2C)CC[NH+]1CCOC ZINC000245710491 140274259 /nfs/dbraw/zinc/27/42/59/140274259.db2.gz ZHVXVRBRKLWLMP-JKSUJKDBSA-N 2 0 283.460 1.513 10 0 CDAERP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261608437 140362614 /nfs/dbraw/zinc/36/26/14/140362614.db2.gz AWXFTZJKQNIQME-ZFWWWQNUSA-N 2 0 299.459 1.367 10 0 CDAERP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000261653789 140370320 /nfs/dbraw/zinc/37/03/20/140370320.db2.gz YOCBUWPFFUWSOZ-AAEUAGOBSA-N 2 0 262.353 1.545 10 0 CDAERP O=C(CC[C@@H]1CCC[NH2+]1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000261698404 140376345 /nfs/dbraw/zinc/37/63/45/140376345.db2.gz NWKCPDLWRGENHS-INIZCTEOSA-N 2 0 293.455 1.853 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000261819728 140393628 /nfs/dbraw/zinc/39/36/28/140393628.db2.gz HUZVYAJPZVGROK-KGLIPLIRSA-N 2 0 267.417 1.367 10 0 CDAERP COC(C)(C)CC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000346444286 292055409 /nfs/dbraw/zinc/05/54/09/292055409.db2.gz KIBLENBOAOWGMV-QLFBSQMISA-N 2 0 284.444 1.985 10 0 CDAERP COCC1(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000656199883 413097676 /nfs/dbraw/zinc/09/76/76/413097676.db2.gz GDWVGUNWHIBZQX-BFHYXJOUSA-N 2 0 268.401 1.160 10 0 CDAERP C[C@@H](CCC[NH3+])NC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662567879 413134971 /nfs/dbraw/zinc/13/49/71/413134971.db2.gz IEBGDXDPFUKGAU-SWLSCSKDSA-N 2 0 289.423 1.922 10 0 CDAERP CCN(C(=O)N[C@H]1CC[NH+](C)[C@H](C)C1)[C@H]1CC[N@H+](CC)C1 ZINC000664218185 413154954 /nfs/dbraw/zinc/15/49/54/413154954.db2.gz NQJCEAQSFXTRPZ-ILXRZTDVSA-N 2 0 296.459 1.595 10 0 CDAERP C[C@@H]([NH2+][C@H]1CCNC1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000658056718 413158555 /nfs/dbraw/zinc/15/85/55/413158555.db2.gz YSEFQQYGRWHHDO-DOMZBBRYSA-N 2 0 291.395 1.166 10 0 CDAERP CN(CC(C)(C)[NH3+])C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000662601530 413174416 /nfs/dbraw/zinc/17/44/16/413174416.db2.gz JRQBDJVYCSKYTC-LBPRGKRZSA-N 2 0 255.406 1.447 10 0 CDAERP COC[C@@](C)(CCO)[NH2+]C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420313320 397698233 /nfs/dbraw/zinc/69/82/33/397698233.db2.gz XYLFBZJEIBGZHC-GOEBONIOSA-N 2 0 296.411 1.115 10 0 CDAERP COC1([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)CCOCC1 ZINC000453073995 292134595 /nfs/dbraw/zinc/13/45/95/292134595.db2.gz OAVQVKMNYVIZDU-CQSZACIVSA-N 2 0 272.433 1.890 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000662619552 413200088 /nfs/dbraw/zinc/20/00/88/413200088.db2.gz MMDXZRHNFRCBNZ-QWHCGFSZSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000091545831 146984391 /nfs/dbraw/zinc/98/43/91/146984391.db2.gz HGPVNSDBNFDABG-VXGBXAGGSA-N 2 0 253.390 1.103 10 0 CDAERP CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662622319 413210860 /nfs/dbraw/zinc/21/08/60/413210860.db2.gz QKSOAVLUHBJVIG-SDDRHHMPSA-N 2 0 255.406 1.349 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000352408396 155166548 /nfs/dbraw/zinc/16/65/48/155166548.db2.gz HKTCANBDPGBWQK-MGPQQGTHSA-N 2 0 269.433 1.706 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)CC[NH+](C)C ZINC000176227063 148028740 /nfs/dbraw/zinc/02/87/40/148028740.db2.gz JOXPRHPORROIAL-CYBMUJFWSA-N 2 0 272.437 1.166 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000178814195 148089860 /nfs/dbraw/zinc/08/98/60/148089860.db2.gz DWJSCQVSUVKERY-RDBSUJKOSA-N 2 0 267.417 1.317 10 0 CDAERP c1cn(CCC[N@@H+]2CCCC[C@@H]2CN2CCOCC2)cn1 ZINC000183182563 148288354 /nfs/dbraw/zinc/28/83/54/148288354.db2.gz BFPLXHCGWKNFPI-MRXNPFEDSA-N 2 0 292.427 1.460 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000246465845 148755343 /nfs/dbraw/zinc/75/53/43/148755343.db2.gz QAFARQPPXYLEFZ-ZIAGYGMSSA-N 2 0 282.432 1.206 10 0 CDAERP C[C@@]1(CN2CCC[C@@H]2C[NH+]2CCCCC2)CC[NH2+]C1 ZINC000262104758 149018482 /nfs/dbraw/zinc/01/84/82/149018482.db2.gz VVKQUXNURTXAOZ-HZPDHXFCSA-N 2 0 265.445 1.936 10 0 CDAERP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cc2ccccc2s1 ZINC000262129477 149023869 /nfs/dbraw/zinc/02/38/69/149023869.db2.gz NSUARTXUDWMTBC-AAEUAGOBSA-N 2 0 262.378 1.571 10 0 CDAERP c1cc(N2CCC(CNC3=[NH+]CCCN3)CC2)cc[nH+]1 ZINC000262240907 149038604 /nfs/dbraw/zinc/03/86/04/149038604.db2.gz RNDBZOSMAALDGQ-UHFFFAOYSA-N 2 0 273.384 1.237 10 0 CDAERP C[C@H]1CC[NH2+][C@H](C(=O)N2CCC(c3ncc[nH]3)CC2)C1 ZINC000335062617 150247186 /nfs/dbraw/zinc/24/71/86/150247186.db2.gz KZFAEHBGPRLPPJ-AAEUAGOBSA-N 2 0 276.384 1.504 10 0 CDAERP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)C1(CO)CC1 ZINC000658155786 413246837 /nfs/dbraw/zinc/24/68/37/413246837.db2.gz QWSXZPOYGGGQDJ-REWJHTLYSA-N 2 0 252.402 1.610 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654406062 413248477 /nfs/dbraw/zinc/24/84/77/413248477.db2.gz YGYWSAGSGIIQLV-MELADBBJSA-N 2 0 284.448 1.356 10 0 CDAERP c1cc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)nc(C2CC2)n1 ZINC000346754613 153294350 /nfs/dbraw/zinc/29/43/50/153294350.db2.gz WQJGOPHMZRVVRP-QWHCGFSZSA-N 2 0 258.369 1.815 10 0 CDAERP c1c(C[NH2+]C2CC2)nnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000656456174 413280083 /nfs/dbraw/zinc/28/00/83/413280083.db2.gz SHBBFMHWPDIGSJ-QGZVFWFLSA-N 2 0 297.406 1.977 10 0 CDAERP C[C@@H]1C[C@@H](C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)CCO1 ZINC000349062043 154042549 /nfs/dbraw/zinc/04/25/49/154042549.db2.gz LCMHWXGGOXCUIV-CVEARBPZSA-N 2 0 297.487 1.759 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CC[C@H]3C[NH+](C)C[C@@H]32)C1 ZINC000660609806 413289743 /nfs/dbraw/zinc/28/97/43/413289743.db2.gz GCOLVPQPVVHITF-FZKCQIBNSA-N 2 0 265.445 1.600 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CC[C@@H]3C[NH+](C)C[C@H]32)C1 ZINC000660609811 413290389 /nfs/dbraw/zinc/29/03/89/413290389.db2.gz GCOLVPQPVVHITF-QKPAOTATSA-N 2 0 265.445 1.600 10 0 CDAERP [NH3+]C1(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CCC1 ZINC000662686934 413310740 /nfs/dbraw/zinc/31/07/40/413310740.db2.gz ROHIIMPLYYFQCZ-CYBMUJFWSA-N 2 0 275.352 1.167 10 0 CDAERP [NH3+][C@H](c1cn([C@@H]2CCC[NH2+]C2)nn1)c1ccc(Cl)cc1 ZINC000656468149 413325889 /nfs/dbraw/zinc/32/58/89/413325889.db2.gz VDUZIODPZVEKKR-OCCSQVGLSA-N 2 0 291.786 1.904 10 0 CDAERP CC1=CC[N@H+](CCNC(=O)N2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC000362072770 159059907 /nfs/dbraw/zinc/05/99/07/159059907.db2.gz QEMTWGFRSYSTEM-HNNXBMFYSA-N 2 0 294.443 1.232 10 0 CDAERP CC(C)C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[NH+](C)C ZINC000362762322 159231979 /nfs/dbraw/zinc/23/19/79/159231979.db2.gz HSRPHOIFJAJPCH-HNNXBMFYSA-N 2 0 283.460 1.811 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC1CN(CCCCCF)C1 ZINC001665152263 1172951845 /nfs/dbraw/zinc/95/18/45/1172951845.db2.gz GNOZKNZIRXYXKN-CQSZACIVSA-N 2 0 285.407 1.411 10 0 CDAERP CC1(C)CC[NH2+][C@@H]1C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000662760653 413449963 /nfs/dbraw/zinc/44/99/63/413449963.db2.gz HXCJHRYCEJYWER-BFHYXJOUSA-N 2 0 279.428 1.365 10 0 CDAERP C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000344455209 165068775 /nfs/dbraw/zinc/06/87/75/165068775.db2.gz XAASGDXLHBARGL-MLGOLLRUSA-N 2 0 279.403 1.927 10 0 CDAERP C[C@@H]1CC2(C[N@@H+]1CCN1CCCC1=O)CC[NH2+]CC2 ZINC000335279480 287236949 /nfs/dbraw/zinc/23/69/49/287236949.db2.gz OTXBSBKXURDSGU-CYBMUJFWSA-N 2 0 265.401 1.073 10 0 CDAERP CC[N@@H+](Cc1ccccc1)C[C@H](C)N1CC[NH2+]CC1 ZINC000020179873 171044315 /nfs/dbraw/zinc/04/43/15/171044315.db2.gz GSECDXXWNICFCD-HNNXBMFYSA-N 2 0 261.413 1.802 10 0 CDAERP C[NH+]1CCN([C@H](C[NH3+])c2ccc(F)c(F)c2)CC1 ZINC000022211576 171374038 /nfs/dbraw/zinc/37/40/38/171374038.db2.gz LCIJLBWNXAEPQE-CYBMUJFWSA-N 2 0 255.312 1.212 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000653169513 412105756 /nfs/dbraw/zinc/10/57/56/412105756.db2.gz SCDNQJDBBBKULM-JVWICGRDSA-N 2 0 265.401 1.201 10 0 CDAERP C[C@H](CC(=O)NCCC1(C[NH3+])CC1)[C@H]1CCC[NH2+]C1 ZINC000653216221 412143335 /nfs/dbraw/zinc/14/33/35/412143335.db2.gz STJOSUIOAOEZBC-OLZOCXBDSA-N 2 0 267.417 1.257 10 0 CDAERP CC[C@@H]1CN(C(=O)c2cc(C(C)(C)[NH3+])no2)CC[C@H]1[NH3+] ZINC000662776074 413480972 /nfs/dbraw/zinc/48/09/72/413480972.db2.gz UJFKWUOFXZOCKH-NXEZZACHSA-N 2 0 280.372 1.068 10 0 CDAERP C[C@H](CCCC[NH3+])NC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662781076 413487857 /nfs/dbraw/zinc/48/78/57/413487857.db2.gz UIUWASJFMXHRJI-LLVKDONJSA-N 2 0 253.390 1.282 10 0 CDAERP O=C(c1cccc2c1CC[NH2+]C2)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000662785998 413495593 /nfs/dbraw/zinc/49/55/93/413495593.db2.gz YCNRTZZVXQFRLW-OKILXGFUSA-N 2 0 299.418 1.404 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)CC2([NH3+])CC2)C1 ZINC000662789025 413500200 /nfs/dbraw/zinc/50/02/00/413500200.db2.gz ZKXOWJPCFPFCOP-MGPQQGTHSA-N 2 0 279.428 1.732 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC000660838119 413544863 /nfs/dbraw/zinc/54/48/63/413544863.db2.gz RMERUIZVWNISIO-STQMWFEESA-N 2 0 282.432 1.253 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000660851338 413576222 /nfs/dbraw/zinc/57/62/22/413576222.db2.gz YVJDWGPYAAHHRT-AWEZNQCLSA-N 2 0 298.475 1.890 10 0 CDAERP Cc1cc(N2CCO[C@@H](CCC[NH+](C)C)C2)cc[nH+]1 ZINC000664659274 413579275 /nfs/dbraw/zinc/57/92/75/413579275.db2.gz WMSMNAMGSHQDKC-HNNXBMFYSA-N 2 0 263.385 1.937 10 0 CDAERP C[C@@H](CCNC(=O)NC1CC([NH+]2CCCCC2)C1)[NH+](C)C ZINC000664791482 413653402 /nfs/dbraw/zinc/65/34/02/413653402.db2.gz HXNUSSWPOIBHIW-NFOMZHRRSA-N 2 0 296.459 1.643 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)C2([NH3+])CC3(CCC3)C2)cc1 ZINC000659293293 413682849 /nfs/dbraw/zinc/68/28/49/413682849.db2.gz UZTUMEDNEHGDGC-GFCCVEGCSA-N 2 0 287.407 1.984 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000422856818 287271227 /nfs/dbraw/zinc/27/12/27/287271227.db2.gz GRIORIACLPYUNA-KFWWJZLASA-N 2 0 253.434 1.968 10 0 CDAERP CC[C@@]1(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CCC[NH2+]1 ZINC000662971470 413761116 /nfs/dbraw/zinc/76/11/16/413761116.db2.gz AJMUOLZCQTUOAP-HOCLYGCPSA-N 2 0 297.443 1.088 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000659471864 413862987 /nfs/dbraw/zinc/86/29/87/413862987.db2.gz IAONXCSVKWLWNX-UHFFFAOYSA-N 2 0 294.443 1.240 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCCC[NH3+])C1 ZINC000418314227 287271975 /nfs/dbraw/zinc/27/19/75/287271975.db2.gz RWFQBGJXOXZIDR-CABCVRRESA-N 2 0 296.459 1.631 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]3C[NH+](C)CC[C@@H]32)C1 ZINC000654927586 413824862 /nfs/dbraw/zinc/82/48/62/413824862.db2.gz SUGQCUOKNJSCRP-ILXRZTDVSA-N 2 0 279.428 1.271 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000659459906 413847693 /nfs/dbraw/zinc/84/76/93/413847693.db2.gz HWUDQZINALLPEQ-OAHLLOKOSA-N 2 0 298.475 1.781 10 0 CDAERP COC[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)C1CCOCC1 ZINC000661160793 413850555 /nfs/dbraw/zinc/85/05/55/413850555.db2.gz NNMKPIILPQFGIY-CVEARBPZSA-N 2 0 284.444 1.892 10 0 CDAERP COC[C@H](CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)OC ZINC000665234295 413959097 /nfs/dbraw/zinc/95/90/97/413959097.db2.gz ALPLQJSDSFWNEW-FQUUOJAGSA-N 2 0 256.390 1.016 10 0 CDAERP C[C@H](CCC(C)(C)C)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665292914 414034391 /nfs/dbraw/zinc/03/43/91/414034391.db2.gz LXMZZPZDSYGRFG-SNVBAGLBSA-N 2 0 266.389 1.945 10 0 CDAERP CCC[NH+]1CCC([C@@H](C)[NH2+]CCNC(C)=O)CC1 ZINC000037221421 173040383 /nfs/dbraw/zinc/04/03/83/173040383.db2.gz UWTHAODUDJUQLQ-GFCCVEGCSA-N 2 0 255.406 1.223 10 0 CDAERP C[NH+]1CCN(CC[NH2+][C@@H]2CCc3ccccc3C2)CC1 ZINC000037496847 173235925 /nfs/dbraw/zinc/23/59/25/173235925.db2.gz REUGMFNYEICJKM-QGZVFWFLSA-N 2 0 273.424 1.381 10 0 CDAERP C[NH+]1CCN(CC[NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000037496728 173235934 /nfs/dbraw/zinc/23/59/34/173235934.db2.gz ONHKZUCHYHPCLH-UHFFFAOYSA-N 2 0 267.804 1.677 10 0 CDAERP CC[C@H]1C[C@@H]([NH2+]CCCN2CC[NH+](CC)CC2)CO1 ZINC000657307481 414157108 /nfs/dbraw/zinc/15/71/08/414157108.db2.gz DKYHDSRAWFPADR-CABCVRRESA-N 2 0 269.433 1.171 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000665358594 414102256 /nfs/dbraw/zinc/10/22/56/414102256.db2.gz KRZDYAVOEKCQTM-AWEZNQCLSA-N 2 0 298.475 1.842 10 0 CDAERP CCN1CC[C@@H]([NH+]2CCC(C[NH+]3CCCC3)CC2)C1=O ZINC000659843370 414169104 /nfs/dbraw/zinc/16/91/04/414169104.db2.gz SJEKSGYLRVVCRS-OAHLLOKOSA-N 2 0 279.428 1.415 10 0 CDAERP Cn1ccnc1[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)C1CC1 ZINC000655805382 414198207 /nfs/dbraw/zinc/19/82/07/414198207.db2.gz MVPFYNQYYJOYAT-YUTCNCBUSA-N 2 0 262.401 1.801 10 0 CDAERP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655806534 414201288 /nfs/dbraw/zinc/20/12/88/414201288.db2.gz XXRVSMLOFGPAOM-UXOAXIEHSA-N 2 0 251.418 1.399 10 0 CDAERP CC[NH+]1CCC([C@H](C)[NH2+]C[C@H]2CC[N@H+](C)C2)CC1 ZINC000037646599 173594402 /nfs/dbraw/zinc/59/44/02/173594402.db2.gz XJEMRDODKHZHAK-UONOGXRCSA-N 3 0 253.434 1.648 10 0 CDAERP C[C@@H]1C[C@H](C)N(Cc2nc3c(s2)C[NH2+]CC3)C[C@H]1C[NH3+] ZINC000663496263 414293684 /nfs/dbraw/zinc/29/36/84/414293684.db2.gz FMVNSBXQMILUCQ-GRYCIOLGSA-N 2 0 294.468 1.594 10 0 CDAERP CC(C)NC(=O)[C@@H]1CCC[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000663502237 414302063 /nfs/dbraw/zinc/30/20/63/414302063.db2.gz GFCHBJYEWIZUPC-QLFBSQMISA-N 2 0 281.444 1.611 10 0 CDAERP CC[C@@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)OC ZINC000657470006 414365887 /nfs/dbraw/zinc/36/58/87/414365887.db2.gz LSTLBQBPYJUOEL-AWEZNQCLSA-N 2 0 260.341 1.782 10 0 CDAERP Cn1nc(C(F)(F)F)cc1C[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000657469074 414366377 /nfs/dbraw/zinc/36/63/77/414366377.db2.gz FPGVYTBIDYLJDU-MRVPVSSYSA-N 2 0 299.300 1.809 10 0 CDAERP Cn1ncc(C2CCC2)c1C[NH2+]CCOCC[NH+](C)C ZINC000657435933 414333219 /nfs/dbraw/zinc/33/32/19/414333219.db2.gz BGOOFPOVGUXZAO-UHFFFAOYSA-N 2 0 280.416 1.355 10 0 CDAERP O[C@@H](C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1)C1CCCCC1 ZINC000662151244 414537519 /nfs/dbraw/zinc/53/75/19/414537519.db2.gz GUQOTFMARQKSQH-SJORKVTESA-N 2 0 296.455 1.459 10 0 CDAERP Cc1cc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)ncn1 ZINC000662282697 414612717 /nfs/dbraw/zinc/61/27/17/414612717.db2.gz JNULCTDVOOOOAQ-ZDUSSCGKSA-N 2 0 260.385 1.749 10 0 CDAERP C[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)C[C@@H]1COCCO1 ZINC000662306516 414629011 /nfs/dbraw/zinc/62/90/11/414629011.db2.gz QFWNOKPTFJUROJ-MRXNPFEDSA-N 2 0 276.380 1.180 10 0 CDAERP CC[NH+]1CCC([C@H](C)[NH2+]C[C@H]2CCS(=O)(=O)C2)CC1 ZINC000038083219 174092662 /nfs/dbraw/zinc/09/26/62/174092662.db2.gz XAVWYRKORXOCBB-QWHCGFSZSA-N 2 0 288.457 1.131 10 0 CDAERP [NH3+]CCC[NH2+]C[C@@H](O)COc1cccc2ccccc21 ZINC000039234980 174166845 /nfs/dbraw/zinc/16/68/45/174166845.db2.gz FQBDICYEQIWWRN-CQSZACIVSA-N 2 0 274.364 1.518 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC2CC[NH+](C(C)C)CC2)C1 ZINC000040502069 174298482 /nfs/dbraw/zinc/29/84/82/174298482.db2.gz AEOPLWQZMFVNKC-HNNXBMFYSA-N 2 0 253.434 1.933 10 0 CDAERP C[N@H+](CCCN[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000043324078 175006476 /nfs/dbraw/zinc/00/64/76/175006476.db2.gz RDJKHFHPHDLXRX-INIZCTEOSA-N 2 0 261.413 1.850 10 0 CDAERP CC[C@@H]([NH3+])[C@@H](c1ccco1)N1CCC[N@H+](C)CC1 ZINC000043334616 175010523 /nfs/dbraw/zinc/01/05/23/175010523.db2.gz ZCUBWTQQOMTGMX-OCCSQVGLSA-N 2 0 251.374 1.696 10 0 CDAERP CC[NH+]1CCC(N(C)[C@@H](c2ccccn2)[C@@H](C)[NH3+])CC1 ZINC000043341058 175015098 /nfs/dbraw/zinc/01/50/98/175015098.db2.gz NURLIPNGCRUGNF-CZUORRHYSA-N 2 0 276.428 1.886 10 0 CDAERP C[C@H]([NH3+])[C@H](c1cccnc1)N1CC[NH+](C(C)(C)C)CC1 ZINC000043347508 175018238 /nfs/dbraw/zinc/01/82/38/175018238.db2.gz YAOZDHJTOQDYKH-DZGCQCFKSA-N 2 0 276.428 1.886 10 0 CDAERP [NH3+]CCc1ccc(OCC[N@@H+]2CCO[C@H]3CCC[C@@H]32)cc1 ZINC000043424191 175039805 /nfs/dbraw/zinc/03/98/05/175039805.db2.gz YYJCWLHYUJCQNS-IRXDYDNUSA-N 2 0 290.407 1.820 10 0 CDAERP c1ccc(N2CCC[NH2+]CC2)c(OCC[NH+]2CCCC2)c1 ZINC000043461534 175051646 /nfs/dbraw/zinc/05/16/46/175051646.db2.gz IBUUGMYCEATBPT-UHFFFAOYSA-N 2 0 289.423 1.961 10 0 CDAERP CCC[NH+]1CCN([C@H]2CCCCC[C@@H]2[NH2+]C)CC1 ZINC000043805239 175107714 /nfs/dbraw/zinc/10/77/14/175107714.db2.gz ULURHGFBARLOPM-GJZGRUSLSA-N 2 0 253.434 1.935 10 0 CDAERP CC[NH+]1CCN([C@H]2CCc3ccccc3[C@H]2[NH2+]C)CC1 ZINC000043805919 175108564 /nfs/dbraw/zinc/10/85/64/175108564.db2.gz VEAVBRSFQUHNSB-DLBZAZTESA-N 2 0 273.424 1.899 10 0 CDAERP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N1CC[NH+](CC)CC1 ZINC000043805977 175108724 /nfs/dbraw/zinc/10/87/24/175108724.db2.gz QFZHZFYCSGKXSL-KFWWJZLASA-N 2 0 253.434 1.791 10 0 CDAERP CCC[NH2+][C@H]1c2ccccc2C[C@@H]1N1CC[NH+](C)CC1 ZINC000043810997 175110372 /nfs/dbraw/zinc/11/03/72/175110372.db2.gz ZOFWRHKFLFSYMG-IRXDYDNUSA-N 2 0 273.424 1.899 10 0 CDAERP C[NH2+][C@@H](c1ccc(OC)cc1)[C@@H](C)N1CCC[N@H+](C)CC1 ZINC000043818177 175112950 /nfs/dbraw/zinc/11/29/50/175112950.db2.gz WVNZAQRQKZIEOS-RHSMWYFYSA-N 2 0 291.439 1.982 10 0 CDAERP C[NH2+][C@H]1c2ccccc2OC[C@@H]1N1CC[NH+](C(C)C)CC1 ZINC000043896993 175119885 /nfs/dbraw/zinc/11/98/85/175119885.db2.gz QJXMXHWJVRVLSB-RDJZCZTQSA-N 2 0 289.423 1.734 10 0 CDAERP CC[NH2+][C@H]1CCC[C@@H]1N(CCOC)[C@@H](C)COC ZINC000043975809 175132943 /nfs/dbraw/zinc/13/29/43/175132943.db2.gz PGJFJJIPGXJVNJ-IHRRRGAJSA-N 2 0 258.406 1.500 10 0 CDAERP NC(=O)c1ccc(C[NH+]2CCC(C[NH3+])CC2)c(F)c1 ZINC000044513827 175189614 /nfs/dbraw/zinc/18/96/14/175189614.db2.gz CTQXEHCQWDLGIL-UHFFFAOYSA-N 2 0 265.332 1.095 10 0 CDAERP CCC[NH2+][C@@H]1CCN(CC2CC[NH+](CC)CC2)C1=O ZINC000044518840 175191425 /nfs/dbraw/zinc/19/14/25/175191425.db2.gz HIRNJUAPNHPJTQ-CQSZACIVSA-N 2 0 267.417 1.319 10 0 CDAERP CCC[NH2+]CC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000044649906 175224283 /nfs/dbraw/zinc/22/42/83/175224283.db2.gz FSGIEQPAEVNOOK-UHFFFAOYSA-N 2 0 277.412 1.576 10 0 CDAERP CCC[NH2+]CC(=O)NCc1ccccc1C[NH+](C)C ZINC000044651396 175224958 /nfs/dbraw/zinc/22/49/58/175224958.db2.gz TWQNARHNWBIMTC-UHFFFAOYSA-N 2 0 263.385 1.364 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)[C@H](C[NH3+])Cc1ccccc1 ZINC000044806049 175256647 /nfs/dbraw/zinc/25/66/47/175256647.db2.gz SMSLDNMAHJUHIG-HOTGVXAUSA-N 2 0 291.439 1.506 10 0 CDAERP CCC[C@@H](C[NH3+])C(=O)N(CC[NH+](C)C)CC(C)C ZINC000044808133 175257030 /nfs/dbraw/zinc/25/70/30/175257030.db2.gz IINNQNFAJIQMAI-ZDUSSCGKSA-N 2 0 257.422 1.408 10 0 CDAERP CC(C)[C@H](C[NH3+])C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000044995407 175287268 /nfs/dbraw/zinc/28/72/68/175287268.db2.gz JYIQQCANMFLLLJ-OLZOCXBDSA-N 2 0 255.406 1.208 10 0 CDAERP CC[NH+](CC)C[C@H](O)CNC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000045134842 175312858 /nfs/dbraw/zinc/31/28/58/175312858.db2.gz LGJCXFQOFPWMPS-LSDHHAIUSA-N 2 0 271.449 1.009 10 0 CDAERP CCC[NH2+][C@@](C)(CCCCN1CC[NH+](CC)CC1)C(N)=O ZINC000045374357 175365464 /nfs/dbraw/zinc/36/54/64/175365464.db2.gz RIEZUMHVOFADOD-INIZCTEOSA-N 2 0 298.475 1.038 10 0 CDAERP CCC[NH+](CCC)CCCC[C@@](C)([NH2+]C)C(N)=O ZINC000045378524 175367774 /nfs/dbraw/zinc/36/77/74/175367774.db2.gz VMUAYICBWYKBBN-CQSZACIVSA-N 2 0 257.422 1.742 10 0 CDAERP CCC[NH2+][C@](C)(CCCC[N@H+](C)C1CC1)C(N)=O ZINC000045383222 175370717 /nfs/dbraw/zinc/37/07/17/175370717.db2.gz ZSDBTCODJWSRIP-CQSZACIVSA-N 2 0 255.406 1.495 10 0 CDAERP CC[N@H+](CCCC[C@](C)([NH2+]C)C(N)=O)C1CCCC1 ZINC000045390483 175374398 /nfs/dbraw/zinc/37/43/98/175374398.db2.gz SZFKIKOHJGUSRK-HNNXBMFYSA-N 2 0 269.433 1.885 10 0 CDAERP CC[N@H+](CCC[C@](C)([NH2+]C(C)C)C(N)=O)C[C@@H]1CCCO1 ZINC000045421665 175379860 /nfs/dbraw/zinc/37/98/60/175379860.db2.gz MIFTYXIQAMLRLE-HOCLYGCPSA-N 2 0 299.459 1.510 10 0 CDAERP CCOC(=O)CC[N@H+](C)C[C@H](C[NH3+])c1ccccc1 ZINC000070941128 176015212 /nfs/dbraw/zinc/01/52/12/176015212.db2.gz LXOJSIRRPOTDPX-AWEZNQCLSA-N 2 0 264.369 1.614 10 0 CDAERP CC(C)[NH2+][C@@H]1CCCN(CCCC[NH+](C)C)C1=O ZINC000071033931 176024402 /nfs/dbraw/zinc/02/44/02/176024402.db2.gz ZGCWSXMVLXMAGY-CYBMUJFWSA-N 2 0 255.406 1.317 10 0 CDAERP CC[NH+]1CCC(CN2CCC[C@@H]([NH2+]C3CC3)C2=O)CC1 ZINC000071036474 176025779 /nfs/dbraw/zinc/02/57/79/176025779.db2.gz GFIXCSAAVGHHNC-OAHLLOKOSA-N 2 0 279.428 1.461 10 0 CDAERP CC[NH2+][C@H]1CCN([C@@H](C)C[NH+]2CCCCC2)C1=O ZINC000071037375 176026052 /nfs/dbraw/zinc/02/60/52/176026052.db2.gz MVOJYDNEKUGEPG-STQMWFEESA-N 2 0 253.390 1.071 10 0 CDAERP COc1ccc(C)cc1[C@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071148538 176044119 /nfs/dbraw/zinc/04/41/19/176044119.db2.gz AGZUBAGLOPTXCA-HNNXBMFYSA-N 2 0 291.439 1.902 10 0 CDAERP C[C@@H]([NH3+])[C@H](c1ccco1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071187983 176062217 /nfs/dbraw/zinc/06/22/17/176062217.db2.gz WBKRRWBXMGQJDR-YRGRVCCFSA-N 2 0 251.374 1.551 10 0 CDAERP C[C@H]([NH3+])[C@H](c1cccnc1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188126 176063159 /nfs/dbraw/zinc/06/31/59/176063159.db2.gz UUCFEFGYTGURFH-GZBFAFLISA-N 2 0 262.401 1.353 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)C[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000071191375 176069380 /nfs/dbraw/zinc/06/93/80/176069380.db2.gz FWVMUFFVGALCBO-ILXRZTDVSA-N 2 0 253.434 1.778 10 0 CDAERP CCC[NH2+]Cc1cccnc1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191648 176069551 /nfs/dbraw/zinc/06/95/51/176069551.db2.gz FSDBTUBPZDXYTI-CQSZACIVSA-N 2 0 276.428 1.969 10 0 CDAERP CC(C)C[NH2+]C[C@H](C)CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192003 176071399 /nfs/dbraw/zinc/07/13/99/176071399.db2.gz XUUAURQDZKLDRX-LSDHHAIUSA-N 2 0 255.450 1.752 10 0 CDAERP CC(C)C[NH2+]CC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000071196442 176076131 /nfs/dbraw/zinc/07/61/31/176076131.db2.gz GBPZCMFHQHXNAD-AWEZNQCLSA-N 2 0 267.417 1.175 10 0 CDAERP CC[N@H+](Cc1ccc(F)cc1C(N)=[NH2+])[C@@H](C)COC ZINC000071267925 176101890 /nfs/dbraw/zinc/10/18/90/176101890.db2.gz GEFXMUJAHFIADH-JTQLQIEISA-N 2 0 267.348 1.967 10 0 CDAERP C[N@@H+]1CCC[C@@H](CNC2=[NH+]C[C@H](C3CC3)S2)C1 ZINC000071307761 176116335 /nfs/dbraw/zinc/11/63/35/176116335.db2.gz PQLMGCOKNCWNQA-CMPLNLGQSA-N 2 0 253.415 1.799 10 0 CDAERP C[C@H]1CC[C@H](C(=O)NCC[N@H+](C)C2CCCC2)C[NH2+]1 ZINC000071379398 176143711 /nfs/dbraw/zinc/14/37/11/176143711.db2.gz IQXYRHAYKOBPGI-STQMWFEESA-N 2 0 267.417 1.365 10 0 CDAERP CCCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001666172725 1173114528 /nfs/dbraw/zinc/11/45/28/1173114528.db2.gz MBIOVODQAOQKPU-HZPDHXFCSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)C[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001666172291 1173115261 /nfs/dbraw/zinc/11/52/61/1173115261.db2.gz FFDZUPQUNYPIJC-HZPDHXFCSA-N 2 0 295.471 1.812 10 0 CDAERP COc1ccc([C@@H]2CC[N@@H+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)C2)cc1F ZINC000923408391 782034615 /nfs/dbraw/zinc/03/46/15/782034615.db2.gz CNZLJYLYWGXORR-DHMWGJHJSA-N 2 0 294.370 1.474 10 0 CDAERP c1ccc(C[N@H+]2CCC[C@@H]2CNC2CC[NH2+]CC2)cc1 ZINC000390574868 262222054 /nfs/dbraw/zinc/22/20/54/262222054.db2.gz FBUUBOMPAMEBMY-QGZVFWFLSA-N 2 0 273.424 1.993 10 0 CDAERP C[N@H+](CCOc1ccc(F)cc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249684 423791217 /nfs/dbraw/zinc/79/12/17/423791217.db2.gz XJTAMACIRDYKRO-OAHLLOKOSA-N 2 0 294.370 1.657 10 0 CDAERP C([C@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CCC[C@H]1C1CCC1 ZINC000662256570 423800726 /nfs/dbraw/zinc/80/07/26/423800726.db2.gz JVTDOOJLWRJLDP-KGLIPLIRSA-N 2 0 250.386 1.772 10 0 CDAERP C[NH+](C)CCN1CC[N@H+](C[C@H]2CC=CCC2)CC1=O ZINC000651890878 423860731 /nfs/dbraw/zinc/86/07/31/423860731.db2.gz WOZXJRSXXAJFAA-AWEZNQCLSA-N 2 0 265.401 1.049 10 0 CDAERP Cc1nn(C)c2ncc(C[NH2+]CC[C@@H]([NH3+])C(C)C)cc12 ZINC000663497915 423890441 /nfs/dbraw/zinc/89/04/41/423890441.db2.gz IHDMBFQVJQFFDX-CQSZACIVSA-N 2 0 275.400 1.740 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000652223249 424098781 /nfs/dbraw/zinc/09/87/81/424098781.db2.gz AQEMPDXNGPYCRI-CHWSQXEVSA-N 2 0 272.437 1.389 10 0 CDAERP CCN1C[C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CC1=O ZINC000652299891 424204235 /nfs/dbraw/zinc/20/42/35/424204235.db2.gz RLFFXIZWUYUMJM-XQLPTFJDSA-N 2 0 279.428 1.317 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000662673604 424294480 /nfs/dbraw/zinc/29/44/80/424294480.db2.gz OKJKEXCIFGVSSC-AWEZNQCLSA-N 2 0 285.432 1.070 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)C1 ZINC000660837242 424289866 /nfs/dbraw/zinc/28/98/66/424289866.db2.gz MRBPKRFBEXIMFR-OLZOCXBDSA-N 2 0 282.432 1.253 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1[NH2+]CCC1(C)C)C1CCCCC1 ZINC000662681038 424301825 /nfs/dbraw/zinc/30/18/25/424301825.db2.gz SEQUOFCXJVLGHN-CQSZACIVSA-N 2 0 281.444 1.755 10 0 CDAERP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CCOCC2CC2)C1 ZINC000652362236 424313536 /nfs/dbraw/zinc/31/35/36/424313536.db2.gz ASCUBWMAPACBHF-BZUAXINKSA-N 2 0 282.428 1.774 10 0 CDAERP O=C(NC1CC([NH+]2CCCCC2)C1)[C@H]1CCC[NH2+]CC1 ZINC000653151569 424386481 /nfs/dbraw/zinc/38/64/81/424386481.db2.gz KVQCZGJALMBMOL-NFOMZHRRSA-N 2 0 279.428 1.509 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000659624445 424432952 /nfs/dbraw/zinc/43/29/52/424432952.db2.gz TVTFDRPIWJYWPS-HZSPNIEDSA-N 2 0 282.432 1.238 10 0 CDAERP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cn2ccccc2n1 ZINC000655715994 424487231 /nfs/dbraw/zinc/48/72/31/424487231.db2.gz QDPMMXIVTZFWKS-CYBMUJFWSA-N 2 0 288.395 1.442 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000662825089 424511587 /nfs/dbraw/zinc/51/15/87/424511587.db2.gz PUSLIUGXWKJCFF-KBPBESRZSA-N 2 0 281.444 1.788 10 0 CDAERP CC(C)[NH+]1CCN(CCC[NH2+][C@@H]2C[C@@H](O)C23CCC3)CC1 ZINC000661832194 424614474 /nfs/dbraw/zinc/61/44/74/424614474.db2.gz YMZQNKIXGKUIPY-HZPDHXFCSA-N 2 0 295.471 1.296 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@@H](C)CCO ZINC000652048834 424633920 /nfs/dbraw/zinc/63/39/20/424633920.db2.gz VVMMAHSNZRVODN-LBPRGKRZSA-N 2 0 274.368 1.778 10 0 CDAERP C[C@H](O)C[NH2+]CC[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001667279504 1173250333 /nfs/dbraw/zinc/25/03/33/1173250333.db2.gz UQWMZKAIRYQKDS-LSDHHAIUSA-N 2 0 299.459 1.070 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H]([NH2+]CCOC)C(C)C)CC[N@@H+]1C ZINC001667458182 1173271234 /nfs/dbraw/zinc/27/12/34/1173271234.db2.gz IPGBDXDIHBZISL-RRFJBIMHSA-N 2 0 299.459 1.094 10 0 CDAERP C[N@H+](CCNC(=O)C[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000395721700 270344069 /nfs/dbraw/zinc/34/40/69/270344069.db2.gz NPJKJGTUJYLPRO-INIZCTEOSA-N 2 0 289.423 1.624 10 0 CDAERP CC1(C)C[N@H+](CCC(=O)NC2CCCC2)CC[C@H]1[NH3+] ZINC000261757283 276131948 /nfs/dbraw/zinc/13/19/48/276131948.db2.gz QRBBOXFENYTLBK-CYBMUJFWSA-N 2 0 267.417 1.495 10 0 CDAERP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCCc3n[nH]cc32)CC1 ZINC000367618206 276197073 /nfs/dbraw/zinc/19/70/73/276197073.db2.gz SEHRMAFSJNUKGR-DZGCQCFKSA-N 2 0 291.443 1.403 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+]1CCCC[C@@H]1C ZINC000349116477 276259032 /nfs/dbraw/zinc/25/90/32/276259032.db2.gz GXVZMJPCWFMUCZ-LSDHHAIUSA-N 2 0 281.444 1.851 10 0 CDAERP CCN(CCC[NH+](CC)CC)C(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000230712269 276324087 /nfs/dbraw/zinc/32/40/87/276324087.db2.gz RLJNBVXVGJWDAR-KGLIPLIRSA-N 2 0 269.433 1.422 10 0 CDAERP C([NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1)[C@H]1C[NH2+]CCCO1 ZINC000423488789 276814332 /nfs/dbraw/zinc/81/43/32/276814332.db2.gz DZKUEUWVBNWLSV-ZJIFWQFVSA-N 2 0 282.428 1.550 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(C3CC3)C2)[C@@H]2CCC[C@H]21 ZINC000353620948 277172720 /nfs/dbraw/zinc/17/27/20/277172720.db2.gz KVIHCAYUYYWKJT-UQOMUDLDSA-N 2 0 277.412 1.212 10 0 CDAERP C[N@@H+]1CC[C@](C)(C[NH2+]C2CSCCSC2)C1 ZINC000067868900 277183572 /nfs/dbraw/zinc/18/35/72/277183572.db2.gz WWAQOULLKQTCFI-GFCCVEGCSA-N 2 0 260.472 1.766 10 0 CDAERP COC(=O)[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000245564261 277347357 /nfs/dbraw/zinc/34/73/57/277347357.db2.gz DHGUGLPVUIGVOX-OLZOCXBDSA-N 2 0 254.374 1.356 10 0 CDAERP CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@@H](C)N3CC[NH+](C)CC3)C[C@H]2C1 ZINC000424311898 277352350 /nfs/dbraw/zinc/35/23/50/277352350.db2.gz LIJQBLCEETUICJ-NRKLIOEPSA-N 2 0 295.471 1.416 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)N2CC[NH+]3CCC[C@@H]3C2)C[N@@H+]1C1CC1 ZINC000175626962 278019681 /nfs/dbraw/zinc/01/96/81/278019681.db2.gz YAZBKRISBSCXCQ-VNHYZAJKSA-N 2 0 292.427 1.101 10 0 CDAERP CCC[NH+]1CCC(N[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000415007466 278805097 /nfs/dbraw/zinc/80/50/97/278805097.db2.gz URRANHYWCMMYMM-GFCCVEGCSA-N 2 0 261.360 1.448 10 0 CDAERP CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261977772 279069547 /nfs/dbraw/zinc/06/95/47/279069547.db2.gz OBHJZUWHVCEWFA-BZPMIXESSA-N 2 0 255.406 1.241 10 0 CDAERP CC[NH+](CC)CCCN1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000419333038 279096460 /nfs/dbraw/zinc/09/64/60/279096460.db2.gz ICHWXRQSLOZSDX-HUUCEWRRSA-N 2 0 271.449 1.105 10 0 CDAERP CC[NH+](CC)CCSCC(=O)N1CCC([NH2+]C)CC1 ZINC000236894066 279112632 /nfs/dbraw/zinc/11/26/32/279112632.db2.gz IJWDIGBROSTHLE-UHFFFAOYSA-N 2 0 287.473 1.272 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[NH+](C2CC2)CC1 ZINC000175392553 279332467 /nfs/dbraw/zinc/33/24/67/279332467.db2.gz GWLRMBRZSPSWMK-HNNXBMFYSA-N 2 0 294.443 1.350 10 0 CDAERP CC(C)[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000335532747 279479515 /nfs/dbraw/zinc/47/95/15/279479515.db2.gz FEGXRQIREBBCCF-UKRRQHHQSA-N 2 0 281.444 1.706 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CCCCC2)C1 ZINC000194136575 280024987 /nfs/dbraw/zinc/02/49/87/280024987.db2.gz ZFSKQRNSODIZBV-CQSZACIVSA-N 2 0 282.432 1.256 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000417444723 280098677 /nfs/dbraw/zinc/09/86/77/280098677.db2.gz DLPPTVBRBDJQCQ-GDBMZVCRSA-N 2 0 296.459 1.502 10 0 CDAERP CC[C@H]([NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C(=O)NC ZINC000423168935 280957747 /nfs/dbraw/zinc/95/77/47/280957747.db2.gz VMBPFAWZIVAABH-WUHRBBMRSA-N 2 0 253.390 1.021 10 0 CDAERP Cc1nn(C)c(C)c1CC[NH2+]CC1CC[NH2+]CC1 ZINC000520812975 281055924 /nfs/dbraw/zinc/05/59/24/281055924.db2.gz LLKAEGCOTIAYIB-UHFFFAOYSA-N 2 0 250.390 1.169 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C[C@@H]1CC[NH2+]C1 ZINC000251728380 288295582 /nfs/dbraw/zinc/29/55/82/288295582.db2.gz KFPLACDDGBTRMU-RDBSUJKOSA-N 2 0 265.401 1.071 10 0 CDAERP CC1(C)CN(C(=O)[C@H](C[NH3+])c2ccccc2)CC[C@@H]1[NH3+] ZINC000261944044 281206873 /nfs/dbraw/zinc/20/68/73/281206873.db2.gz JQTWEEZUSPHLAK-KGLIPLIRSA-N 2 0 275.396 1.315 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCC1CC[NH2+]CC1 ZINC000251936959 288308378 /nfs/dbraw/zinc/30/83/78/288308378.db2.gz ZGFOSIYJGLWNPV-HIFRSBDPSA-N 2 0 279.428 1.461 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000252410742 282050212 /nfs/dbraw/zinc/05/02/12/282050212.db2.gz LYWGCBATCCIEGM-CFVMTHIKSA-N 2 0 279.428 1.460 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000334923404 289101219 /nfs/dbraw/zinc/10/12/19/289101219.db2.gz JEXIHKWXTUPUHB-ROKHWSDSSA-N 2 0 282.432 1.240 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000553498553 290122664 /nfs/dbraw/zinc/12/26/64/290122664.db2.gz QCXREILJNGXUBE-ZIAGYGMSSA-N 2 0 267.417 1.271 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCOC(F)(F)F)[C@@H]2CCC[C@H]21 ZINC000353670730 290219184 /nfs/dbraw/zinc/21/91/84/290219184.db2.gz AXEJZGVFZUGEAU-GARJFASQSA-N 2 0 266.307 1.985 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)[C@H]2CCC[C@@H]21 ZINC000423550469 290224137 /nfs/dbraw/zinc/22/41/37/290224137.db2.gz SVMZCPWCESVPBA-NEMWNAMBSA-N 3 0 277.456 1.837 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCn3ccnc3C2)[C@H]2CCC[C@@H]21 ZINC000353669906 290224533 /nfs/dbraw/zinc/22/45/33/290224533.db2.gz KGJBARRJCRBYBF-KBXIAJHMSA-N 2 0 274.412 1.660 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000557514187 290348994 /nfs/dbraw/zinc/34/89/94/290348994.db2.gz KNFGAOXEOWCKIF-AWEZNQCLSA-N 2 0 289.423 1.706 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCC[NH+]1C ZINC000354154928 290389506 /nfs/dbraw/zinc/38/95/06/290389506.db2.gz FXHSTXZRNVLHRI-QWHCGFSZSA-N 2 0 253.390 1.071 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC000561225658 293066851 /nfs/dbraw/zinc/06/68/51/293066851.db2.gz NLGRLDLTCUIFJM-CHWSQXEVSA-N 2 0 255.406 1.175 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000423028548 293096153 /nfs/dbraw/zinc/09/61/53/293096153.db2.gz GRIVDBAURZSOKD-CABCVRRESA-N 3 0 271.449 1.594 10 0 CDAERP C[NH2+]CCCC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000564726946 293401964 /nfs/dbraw/zinc/40/19/64/293401964.db2.gz YQVIIAPMRHULMS-UHFFFAOYSA-N 2 0 253.390 1.119 10 0 CDAERP CC(C)CC1(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CC1 ZINC000565476511 293619052 /nfs/dbraw/zinc/61/90/52/293619052.db2.gz QZSXAGVHZNEHTN-HNNXBMFYSA-N 2 0 283.460 1.011 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000571020866 294351716 /nfs/dbraw/zinc/35/17/16/294351716.db2.gz XHRMQURZUXHAJO-AWEZNQCLSA-N 2 0 292.427 1.753 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000574988110 295084752 /nfs/dbraw/zinc/08/47/52/295084752.db2.gz JRXOBTOAYDHDCL-QLFBSQMISA-N 2 0 279.428 1.319 10 0 CDAERP COc1ccc(CC[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)cc1OC ZINC000400516096 295120965 /nfs/dbraw/zinc/12/09/65/295120965.db2.gz GIOVCIKNPYWSBN-JSGCOSHPSA-N 2 0 278.396 1.834 10 0 CDAERP [NH3+]CCCNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000418308652 295230693 /nfs/dbraw/zinc/23/06/93/295230693.db2.gz GQJGYFBIJQGVDP-OAHLLOKOSA-N 2 0 296.459 1.633 10 0 CDAERP [NH3+][C@@H]1CC[C@@H](C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)C1 ZINC000333671570 295319502 /nfs/dbraw/zinc/31/95/02/295319502.db2.gz YJFQMSDVWRGWRX-RBSFLKMASA-N 2 0 273.380 1.287 10 0 CDAERP O=C(CCC1CC[NH2+]CC1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000362433873 295471232 /nfs/dbraw/zinc/47/12/32/295471232.db2.gz PWBHZDGUBDGCJE-JKSUJKDBSA-N 2 0 293.455 1.757 10 0 CDAERP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000334886902 297715086 /nfs/dbraw/zinc/71/50/86/297715086.db2.gz APTCENQDMWFXLC-YPMHNXCESA-N 2 0 282.432 1.380 10 0 CDAERP C[C@H](CC(=O)N1CCC2(CC[NH2+]2)CC1)[C@H]1CCC[NH2+]C1 ZINC000335407072 298286515 /nfs/dbraw/zinc/28/65/15/298286515.db2.gz QXHIEEMCSNDBBF-KGLIPLIRSA-N 2 0 279.428 1.367 10 0 CDAERP C[C@H](CNC(=O)N[C@H](C)[C@H](C)[NH3+])C[NH+]1CCCCC1 ZINC000417171055 298737362 /nfs/dbraw/zinc/73/73/62/298737362.db2.gz DFWHFFPTGNNKBA-FRRDWIJNSA-N 2 0 270.421 1.143 10 0 CDAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000416824848 300324622 /nfs/dbraw/zinc/32/46/22/300324622.db2.gz PQZXXUVZEQFQAM-KBPBESRZSA-N 2 0 296.459 1.548 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CC[NH2+]1 ZINC000262417799 300399439 /nfs/dbraw/zinc/39/94/39/300399439.db2.gz QEJNHJJOKQXDOG-JYJNAYRXSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[N@@H+]1C ZINC000928439359 782084876 /nfs/dbraw/zinc/08/48/76/782084876.db2.gz NTWYWFAFBDOTBR-HIFRSBDPSA-N 2 0 281.444 1.850 10 0 CDAERP CC(C)[C@@H](C(=O)N1CC2CCC1(C[NH3+])CC2)[NH+](C)C ZINC000563340083 316257230 /nfs/dbraw/zinc/25/72/30/316257230.db2.gz UUMYKRJESFCDMH-OWYJLGKBSA-N 2 0 267.417 1.303 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCc1ccc(F)c(F)c1 ZINC000566088772 316470864 /nfs/dbraw/zinc/47/08/64/316470864.db2.gz LMULXHCDNDNDBN-GFCCVEGCSA-N 2 0 272.339 1.851 10 0 CDAERP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NCCC[NH+]1CCCC1 ZINC000566193849 316509726 /nfs/dbraw/zinc/50/97/26/316509726.db2.gz RUDDZXUACQLPHH-HUUCEWRRSA-N 2 0 281.444 1.886 10 0 CDAERP C[C@@H]1CCC[C@H](C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)[C@@H]1C ZINC000575916914 317038259 /nfs/dbraw/zinc/03/82/59/317038259.db2.gz BEHSSRBZIPZMDT-VQHPVUNQSA-N 2 0 297.487 1.257 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000185234273 323386817 /nfs/dbraw/zinc/38/68/17/323386817.db2.gz OJBPVTYIKZIRPP-UHFFFAOYSA-N 2 0 298.475 1.844 10 0 CDAERP CC(C)[NH2+]CCC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000579829436 324292862 /nfs/dbraw/zinc/29/28/62/324292862.db2.gz JNEAMTJHFTYCLZ-QWHCGFSZSA-N 2 0 255.406 1.316 10 0 CDAERP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000582299803 324949049 /nfs/dbraw/zinc/94/90/49/324949049.db2.gz IHSKUTGXAJUVMQ-IWMBGFJWSA-N 2 0 282.432 1.428 10 0 CDAERP [NH3+]CCCCC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000583204969 325128611 /nfs/dbraw/zinc/12/86/11/325128611.db2.gz CXZKPXJTHPNMSX-AWEZNQCLSA-N 2 0 261.369 1.200 10 0 CDAERP CC(C)[C@@H]([NH3+])CNC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000583320769 325151200 /nfs/dbraw/zinc/15/12/00/325151200.db2.gz MZSOJJPQWXUKCB-LSDHHAIUSA-N 2 0 290.411 1.237 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NCC(C)(C)C[NH+]2CCCC2)C1 ZINC000583762152 325237176 /nfs/dbraw/zinc/23/71/76/325237176.db2.gz LZMMMTMGENTDFB-AWEZNQCLSA-N 2 0 281.444 1.566 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NCC[NH+](C)CC2=CCCCC2)C1 ZINC001480912848 1159089989 /nfs/dbraw/zinc/08/99/89/1159089989.db2.gz DIPPXSUCAIEALP-HNNXBMFYSA-N 2 0 293.455 1.877 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)NC(=O)NCC1([NH3+])CCCCCC1 ZINC000584230515 327070381 /nfs/dbraw/zinc/07/03/81/327070381.db2.gz JSEISXXFJVIUKR-RYUDHWBXSA-N 2 0 270.421 1.463 10 0 CDAERP CC(C)OCC[C@@H](O)C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000584406033 329458577 /nfs/dbraw/zinc/45/85/77/329458577.db2.gz OQLLQVSSBYYPSP-OAHLLOKOSA-N 2 0 277.368 1.600 10 0 CDAERP [NH2+]=C(NCCCN1CCOCC1)NCCC1(F)CCC1 ZINC000849028684 782099154 /nfs/dbraw/zinc/09/91/54/782099154.db2.gz VMFBCBCZQIIZGN-UHFFFAOYSA-N 2 0 286.395 1.105 10 0 CDAERP CCOCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001270128873 1160092929 /nfs/dbraw/zinc/09/29/29/1160092929.db2.gz KIVOZAIZFNRBOG-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP CCN(CC[NH2+]CCF)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001732806764 1160247554 /nfs/dbraw/zinc/24/75/54/1160247554.db2.gz IUBUNBFJRDRNRD-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP [NH3+]C1(CC(=O)N2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000398025721 482211340 /nfs/dbraw/zinc/21/13/40/482211340.db2.gz HCZCTQKXQJOWMV-UHFFFAOYSA-N 2 0 265.401 1.345 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)NC1CC[NH+](C)CC1 ZINC000652118935 482442572 /nfs/dbraw/zinc/44/25/72/482442572.db2.gz CNSGABWWVNVVRU-UHFFFAOYSA-N 2 0 290.411 1.299 10 0 CDAERP CC1(C)CC(NC(=O)NC/C=C\C[NH3+])CC(C)(C)[NH2+]1 ZINC000668511528 482466217 /nfs/dbraw/zinc/46/62/17/482466217.db2.gz KQXDKHPRPIFCQT-WAYWQWQTSA-N 2 0 268.405 1.110 10 0 CDAERP C[C@@H](NC(=O)C1(c2ccccc2)CC[NH2+]CC1)[C@H](C)[NH3+] ZINC000669520191 482553025 /nfs/dbraw/zinc/55/30/25/482553025.db2.gz WDJJTAIQXQKAMS-QWHCGFSZSA-N 2 0 275.396 1.160 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000669521337 482569269 /nfs/dbraw/zinc/56/92/69/482569269.db2.gz OTRVGSQOFYWVGE-UWJYBYFXSA-N 2 0 267.760 1.288 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CCC(C)(C)[NH3+] ZINC000092630218 482630050 /nfs/dbraw/zinc/63/00/50/482630050.db2.gz BGFLNYMPIDOCHJ-GFCCVEGCSA-N 2 0 255.406 1.447 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)C1 ZINC000111245781 482647757 /nfs/dbraw/zinc/64/77/57/482647757.db2.gz URBXQDAQHHRUHF-PWSUYJOCSA-N 2 0 293.333 1.129 10 0 CDAERP C[NH+](C)Cc1cccc(CNC(=O)NC/C=C\C[NH3+])c1 ZINC000669386801 482765511 /nfs/dbraw/zinc/76/55/11/482765511.db2.gz SATKFAZTVIBRQT-ARJAWSKDSA-N 2 0 276.384 1.062 10 0 CDAERP C[C@@H]1CCC[C@@](CNC(=O)NC/C=C\C[NH3+])([NH+](C)C)C1 ZINC000669402885 482885799 /nfs/dbraw/zinc/88/57/99/482885799.db2.gz SPWGISWGXABEMV-HAAFXLEYSA-N 2 0 282.432 1.311 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)N[C@H](C[NH3+])C2CCCCC2)C1 ZINC000669403007 482886767 /nfs/dbraw/zinc/88/67/67/482886767.db2.gz DSAZZWHTBKBERE-ZIAGYGMSSA-N 2 0 282.432 1.287 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CCc2nc[nH]c2C1)C[NH+]1CCCC1 ZINC000666757174 482898752 /nfs/dbraw/zinc/89/87/52/482898752.db2.gz ZDGHPAVLRRHJHV-STQMWFEESA-N 2 0 290.411 1.363 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000136423742 482917452 /nfs/dbraw/zinc/91/74/52/482917452.db2.gz YEOKPKIKSCRMPZ-YCPHGPKFSA-N 2 0 283.460 1.987 10 0 CDAERP C[C@@H]1CCC[C@](CNC(=O)[C@H]2CCC[C@H]2C[NH3+])([NH+](C)C)C1 ZINC000251650090 483067651 /nfs/dbraw/zinc/06/76/51/483067651.db2.gz FNVHBZUZKSNXSL-AESZEHBQSA-N 2 0 295.471 1.988 10 0 CDAERP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000674721562 483092712 /nfs/dbraw/zinc/09/27/12/483092712.db2.gz DGHLHJCLBWLMNL-MGPQQGTHSA-N 2 0 282.432 1.062 10 0 CDAERP Cn1nnnc1CC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000678547510 483110405 /nfs/dbraw/zinc/11/04/05/483110405.db2.gz FMXJLDDODXALGI-UHFFFAOYSA-N 2 0 292.431 1.139 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000674928310 483191118 /nfs/dbraw/zinc/19/11/18/483191118.db2.gz BQERIMSLNJNGNG-LSDHHAIUSA-N 2 0 296.459 1.358 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC000674928308 483191786 /nfs/dbraw/zinc/19/17/86/483191786.db2.gz BQERIMSLNJNGNG-GJZGRUSLSA-N 2 0 296.459 1.358 10 0 CDAERP C[N@@H+]1CCC[C@@H]2CN(Cc3cn(C4CCC4)nn3)CC[C@H]21 ZINC000667705943 483389898 /nfs/dbraw/zinc/38/98/98/483389898.db2.gz OJOZXTHGGFYFIO-CZUORRHYSA-N 2 0 289.427 1.919 10 0 CDAERP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]C2CSC2)CC1 ZINC000679627529 483398189 /nfs/dbraw/zinc/39/81/89/483398189.db2.gz OPYBCTAVKXWECB-UHFFFAOYSA-N 2 0 299.484 1.318 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000136428629 483403042 /nfs/dbraw/zinc/40/30/42/483403042.db2.gz OQDHDDZEIZILDM-NWDGAFQWSA-N 2 0 283.441 1.840 10 0 CDAERP C([C@H]1CCOC1)[NH+]1CCC([NH2+][C@@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667872820 483467480 /nfs/dbraw/zinc/46/74/80/483467480.db2.gz KWHYNBCDDNDDJI-XOKHGSTOSA-N 2 0 294.439 1.644 10 0 CDAERP CC(C)=CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001272172878 1160663238 /nfs/dbraw/zinc/66/32/38/1160663238.db2.gz QZZVNZIGZUACQY-CQSZACIVSA-N 2 0 267.417 1.295 10 0 CDAERP CC(C)C[C@H](C[NH3+])N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062978611 519344813 /nfs/dbraw/zinc/34/48/13/519344813.db2.gz PDXSMTAEZYXSIX-LSDHHAIUSA-N 2 0 253.434 1.920 10 0 CDAERP CC[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001483512125 1160932127 /nfs/dbraw/zinc/93/21/27/1160932127.db2.gz PNDSHHUWZTXXAK-CYBMUJFWSA-N 2 0 255.406 1.319 10 0 CDAERP CC(C)[C@H](C(=O)NCC1=CC[N@H+](CCCF)CC1)[NH+](C)C ZINC001677623965 1174378329 /nfs/dbraw/zinc/37/83/29/1174378329.db2.gz IBYASRPRHZVDTB-OAHLLOKOSA-N 2 0 299.434 1.681 10 0 CDAERP CC[NH2+]Cc1sc(N2CCC[N@H+](C)CC2)nc1CC ZINC000054968958 520033091 /nfs/dbraw/zinc/03/30/91/520033091.db2.gz QVTPIFYIQAYYKX-UHFFFAOYSA-N 2 0 282.457 1.957 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(CC[NH2+]Cc2ccco2)C1 ZINC000062974263 520845732 /nfs/dbraw/zinc/84/57/32/520845732.db2.gz CKLKSRCXNPSLNH-CQSZACIVSA-N 2 0 265.401 1.785 10 0 CDAERP CCC[NH2+]CCN(C)C(=O)CCC[NH+]1CCCC1 ZINC001713667552 1178702508 /nfs/dbraw/zinc/70/25/08/1178702508.db2.gz WJXBWVMZBMHGRJ-UHFFFAOYSA-N 2 0 255.406 1.320 10 0 CDAERP CC(C)[N@H+](CCCNC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001713769874 1178744490 /nfs/dbraw/zinc/74/44/90/1178744490.db2.gz GNVQPHRDRMMUKT-UHFFFAOYSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001714154392 1178989145 /nfs/dbraw/zinc/98/91/45/1178989145.db2.gz UTQGUWWYZFXPCN-KGLIPLIRSA-N 2 0 269.433 1.563 10 0 CDAERP C[C@@H]1C[N@H+](Cc2cccc(C(=O)N(C)C)c2)CC[C@@H]1C[NH3+] ZINC000923499288 1161545388 /nfs/dbraw/zinc/54/53/88/1161545388.db2.gz RVCOKEWULXLQEB-CZUORRHYSA-N 2 0 289.423 1.805 10 0 CDAERP Cc1ncsc1C[NH2+]CC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001716171126 1180081914 /nfs/dbraw/zinc/08/19/14/1180081914.db2.gz YSNYSMIMQJZJCK-LLVKDONJSA-N 2 0 298.456 1.388 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001771779888 1161957722 /nfs/dbraw/zinc/95/77/22/1161957722.db2.gz VMEWCPYFVRGLHR-CYBMUJFWSA-N 2 0 284.448 1.486 10 0 CDAERP CC[C@@H](C)C[C@H]([NH3+])C(=O)N1CCC([NH+](C)C)CC1 ZINC000400769308 1186377739 /nfs/dbraw/zinc/37/77/39/1186377739.db2.gz LBZMQVVVTLKPFX-YPMHNXCESA-N 2 0 255.406 1.303 10 0 CDAERP CC(C)(C)[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000052418427 518754823 /nfs/dbraw/zinc/75/48/23/518754823.db2.gz LUVGKCGWSYUSDF-UHFFFAOYSA-N 2 0 291.443 1.767 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000226736575 519338081 /nfs/dbraw/zinc/33/80/81/519338081.db2.gz OLVPVPOWTBUBEM-BFHYXJOUSA-N 2 0 269.433 1.596 10 0 CDAERP CC(C)[NH2+]CC1(CN2CCC[C@@H]2C[NH+](C)C)CCOCC1 ZINC000061653716 519719479 /nfs/dbraw/zinc/71/94/79/519719479.db2.gz HUJVJCGXJDAXBO-MRXNPFEDSA-N 2 0 297.487 1.807 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)CC[C@@H]2CCCC[NH2+]2)CC1 ZINC000050947596 519723779 /nfs/dbraw/zinc/72/37/79/519723779.db2.gz BEJVVGDYENRAIR-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CC[C@H](COC2CC[NH+](C)CC2)O1 ZINC000052596872 519723923 /nfs/dbraw/zinc/72/39/23/519723923.db2.gz HKRKPYKFKWDYKF-LSDHHAIUSA-N 2 0 270.417 1.643 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)c2cccc(CC[NH3+])c2)CC1 ZINC000055085554 519724569 /nfs/dbraw/zinc/72/45/69/519724569.db2.gz BGJSVGMHHVLNHJ-UHFFFAOYSA-N 2 0 289.423 1.602 10 0 CDAERP CC(C)C[NH+]1CCN(C[C@]2(C[NH2+]C(C)C)CCOC2)CC1 ZINC000055081723 519726744 /nfs/dbraw/zinc/72/67/44/519726744.db2.gz ZTMYHFMFFBOWCY-QGZVFWFLSA-N 2 0 297.487 1.665 10 0 CDAERP CC(C)[NH2+]Cc1nccn1CCC[NH+]1CCCC1 ZINC000051005501 519729251 /nfs/dbraw/zinc/72/92/51/519729251.db2.gz UTTWIBUFQSRQET-UHFFFAOYSA-N 2 0 250.390 1.867 10 0 CDAERP CC(C)[C@@H](C)C(=O)N1CC[NH+](CCCC[NH3+])CC1 ZINC000070121815 519789934 /nfs/dbraw/zinc/78/99/34/519789934.db2.gz JLKYCLVKPOTEOP-CYBMUJFWSA-N 2 0 255.406 1.162 10 0 CDAERP CCOCCC[NH2+]C[C@@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000055075917 519896618 /nfs/dbraw/zinc/89/66/18/519896618.db2.gz IIXQIFQDXOFRBI-MRXNPFEDSA-N 2 0 285.476 1.665 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000061296718 519904112 /nfs/dbraw/zinc/90/41/12/519904112.db2.gz BLODFKVXDVGMOW-UHFFFAOYSA-N 2 0 281.444 1.851 10 0 CDAERP CCC[NH2+]C1CCN([C@@H]2CC[N@@H+]3CCC[C@H]23)CC1 ZINC000049568625 519906662 /nfs/dbraw/zinc/90/66/62/519906662.db2.gz DOFMRHFVLPKRKF-HUUCEWRRSA-N 2 0 251.418 1.687 10 0 CDAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2[C@@H]1CC[N@H+](C)C1 ZINC000054629296 519908465 /nfs/dbraw/zinc/90/84/65/519908465.db2.gz KOTFMSZRZAXURE-JALIKCBVSA-N 2 0 251.418 1.686 10 0 CDAERP CCC[NH2+]CC1(CN2CC[NH+](C(C)C)CC2)CCOCC1 ZINC000052181850 519911342 /nfs/dbraw/zinc/91/13/42/519911342.db2.gz MLWWPBPLUBIVLI-UHFFFAOYSA-N 2 0 297.487 1.809 10 0 CDAERP CCC[NH2+]C[C@@H]1CCC[N@H+](CCCC(=O)NC)C1 ZINC000068847543 519922788 /nfs/dbraw/zinc/92/27/88/519922788.db2.gz DBTZYLNTSPWZFN-ZDUSSCGKSA-N 2 0 255.406 1.224 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000061268291 519935124 /nfs/dbraw/zinc/93/51/24/519935124.db2.gz UUZAMUGRCWRBDI-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@@H](C[NH+]2CCC(C[NH+](C)C)CC2)O1 ZINC000052515452 519936165 /nfs/dbraw/zinc/93/61/65/519936165.db2.gz CWRVSJWFMRALEE-SJORKVTESA-N 3 0 297.487 1.807 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@H](C[N@H+](C)C2CCOCC2)O1 ZINC000052481255 519980497 /nfs/dbraw/zinc/98/04/97/519980497.db2.gz BEQIMACKLXCSOB-ZIAGYGMSSA-N 2 0 256.390 1.254 10 0 CDAERP CCC[NH2+][C@H]1CCCC[C@H]1N1CC[C@H]([NH+](C)C)C1 ZINC000062965400 520092773 /nfs/dbraw/zinc/09/27/73/520092773.db2.gz MUIQRZFBABHTKP-SOUVJXGZSA-N 2 0 253.434 1.933 10 0 CDAERP CCC[NH2+][C@](C)(C[C@@H](C)N1CC[N@H+](C)C(C)(C)C1)C(N)=O ZINC000068646842 520112877 /nfs/dbraw/zinc/11/28/77/520112877.db2.gz KVZMQQMBZXNGQJ-CZUORRHYSA-N 2 0 298.475 1.035 10 0 CDAERP CCO[C@@H](C[NH3+])CCN1CC[NH+](C2CCCC2)CC1 ZINC000062741256 520309009 /nfs/dbraw/zinc/30/90/09/520309009.db2.gz PEWZRBKTPYCCBD-OAHLLOKOSA-N 2 0 269.433 1.301 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@@H]1C[C@@H]([NH3+])CC[C@@H]1C ZINC000055123417 520617942 /nfs/dbraw/zinc/61/79/42/520617942.db2.gz NLRXDHIDAPYBAW-MELADBBJSA-N 2 0 269.433 1.598 10 0 CDAERP CC[N@H+](CC1(C[NH2+]C2CC2)CCOCC1)[C@H](C)COC ZINC000052182338 520937171 /nfs/dbraw/zinc/93/71/71/520937171.db2.gz WVCYLXKPNCNBFL-CQSZACIVSA-N 2 0 284.444 1.892 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)C2CCC(C[NH3+])CC2)C1 ZINC000055162087 521617653 /nfs/dbraw/zinc/61/76/53/521617653.db2.gz OTFSDXFFDWBRCZ-JXQTWKCFSA-N 2 0 267.417 1.352 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[C@H](C)[NH2+]2)C1 ZINC000049225195 521647098 /nfs/dbraw/zinc/64/70/98/521647098.db2.gz OQSPDCQAKCTKEW-AVGNSLFASA-N 2 0 253.390 1.118 10 0 CDAERP CCOC1CC[NH+](Cc2occc2C[NH2+]C)CC1 ZINC000052483982 521657017 /nfs/dbraw/zinc/65/70/17/521657017.db2.gz IYUWJJUPZJMHIC-UHFFFAOYSA-N 2 0 252.358 2.000 10 0 CDAERP CCCN(CC[NH2+]Cc1ccoc1)CC[NH+](C)C ZINC000053436073 521661745 /nfs/dbraw/zinc/66/17/45/521661745.db2.gz NUTIIVSIYGYICW-UHFFFAOYSA-N 2 0 253.390 1.643 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000246553589 521718612 /nfs/dbraw/zinc/71/86/12/521718612.db2.gz UAYUZJOOLIWUHU-XGUBFFRZSA-N 2 0 281.444 1.693 10 0 CDAERP C[NH+](C)CCN1CC[NH+](CCNc2ccc(F)cc2)CC1 ZINC000061655388 521765139 /nfs/dbraw/zinc/76/51/39/521765139.db2.gz VHPQMHFKZZEPFF-UHFFFAOYSA-N 2 0 294.418 1.417 10 0 CDAERP C[NH+](C)[C@@H]1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)C1 ZINC000062972283 522050228 /nfs/dbraw/zinc/05/02/28/522050228.db2.gz OTZRNEMUXIWUGG-ZIAGYGMSSA-N 2 0 261.369 1.239 10 0 CDAERP C[NH2+]C[C@@H]1CC[C@@H](COCC[C@@H]2CCC[N@@H+]2C)O1 ZINC000052673618 522058304 /nfs/dbraw/zinc/05/83/04/522058304.db2.gz OWKBBZTXRMAVRW-IHRRRGAJSA-N 2 0 256.390 1.254 10 0 CDAERP C[NH2+]C[C@H]1CC[C@@H](C[NH+]2CCN(c3ccccc3)CC2)O1 ZINC000052417346 522093287 /nfs/dbraw/zinc/09/32/87/522093287.db2.gz CPKBMLGFQRSWEK-SJORKVTESA-N 2 0 289.423 1.576 10 0 CDAERP C[NH2+]C[C@H]1CC[C@H](C[N@H+](CCOC)CC(C)C)O1 ZINC000052508688 522097141 /nfs/dbraw/zinc/09/71/41/522097141.db2.gz HOVHKYCEXJNGQP-ZIAGYGMSSA-N 2 0 258.406 1.358 10 0 CDAERP CN(C)c1cc[nH+]cc1NC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000052881828 522313382 /nfs/dbraw/zinc/31/33/82/522313382.db2.gz NSJKNQYGHOOCMT-INIZCTEOSA-N 2 0 284.363 1.960 10 0 CDAERP C[NH2+][C@@H](CN1CCN(CC[NH+](C)C)CC1)c1ccccc1 ZINC000061643861 522353817 /nfs/dbraw/zinc/35/38/17/522353817.db2.gz VYUKHHFNFWSNKL-KRWDZBQOSA-N 2 0 290.455 1.126 10 0 CDAERP CCn1ccnc1N1CCC[N@H+](CCCCC[NH3+])CC1 ZINC000050607939 523548540 /nfs/dbraw/zinc/54/85/40/523548540.db2.gz ISVRGFYFOHHYJL-UHFFFAOYSA-N 2 0 279.432 1.544 10 0 CDAERP COCC[N@H+](CC1(C[NH2+]C(C)C)CCOCC1)C1CC1 ZINC000052183065 523689074 /nfs/dbraw/zinc/68/90/74/523689074.db2.gz UQYPBMWUVWZAJT-UHFFFAOYSA-N 2 0 284.444 1.892 10 0 CDAERP COCC[N@H+](CCNCCC[NH+](C)C)[C@@H](C)C1CC1 ZINC000053437904 523700737 /nfs/dbraw/zinc/70/07/37/523700737.db2.gz XACNKSSHYJMYIE-AWEZNQCLSA-N 2 0 271.449 1.275 10 0 CDAERP COCC[N@H+](C[C@@H](C)C[NH2+]C(C)C)[C@@H](C)COC ZINC000052572297 523729942 /nfs/dbraw/zinc/72/99/42/523729942.db2.gz VQAVIQPSBAQMIQ-KBPBESRZSA-N 2 0 260.422 1.604 10 0 CDAERP C[NH+]1CCC(OC(=O)CC[C@H]2CCCC[NH2+]2)CC1 ZINC000050928841 523780811 /nfs/dbraw/zinc/78/08/11/523780811.db2.gz FWBXQPZNOCSVEX-GFCCVEGCSA-N 2 0 254.374 1.546 10 0 CDAERP COC(=O)[C@@](C)([NH3+])CCCCN1CC[NH+](CC(C)C)CC1 ZINC000055081494 523816828 /nfs/dbraw/zinc/81/68/28/523816828.db2.gz XTYXYVLRXRHFJF-INIZCTEOSA-N 2 0 299.459 1.321 10 0 CDAERP COCCNC(=O)C[N@H+](CCC[NH3+])C1CCCCCC1 ZINC000049278014 523891696 /nfs/dbraw/zinc/89/16/96/523891696.db2.gz NCDRVTGHTWWZPY-UHFFFAOYSA-N 2 0 285.432 1.123 10 0 CDAERP CC[C@H](C)[NH+]1CCN(CC[NH2+]CCCOC)CC1 ZINC000055075366 523954554 /nfs/dbraw/zinc/95/45/54/523954554.db2.gz HABRMUOYHWWJPO-AWEZNQCLSA-N 2 0 257.422 1.029 10 0 CDAERP CNC(=O)CCC[NH+]1CCC(C[NH2+]C(C)(C)C)CC1 ZINC000068847532 524063707 /nfs/dbraw/zinc/06/37/07/524063707.db2.gz KPYIZBNEYIJVDG-UHFFFAOYSA-N 2 0 269.433 1.613 10 0 CDAERP CNC(=O)[C@@H]1CCCC[N@@H+]1CCC[C@@H]1CCC[NH2+]1 ZINC000052764488 524081602 /nfs/dbraw/zinc/08/16/02/524081602.db2.gz FEMLUTKAGRXNIH-STQMWFEESA-N 2 0 253.390 1.119 10 0 CDAERP C[C@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000055134938 524203852 /nfs/dbraw/zinc/20/38/52/524203852.db2.gz QQBHIJGUUVXWMO-AEGPPILISA-N 2 0 281.444 1.550 10 0 CDAERP C[C@@H](C(=O)N[C@@H](C[NH+](C)C)c1ccccc1)C1C[NH2+]C1 ZINC000164384835 524225938 /nfs/dbraw/zinc/22/59/38/524225938.db2.gz MQIFPLYLLAJABC-DOMZBBRYSA-N 2 0 275.396 1.261 10 0 CDAERP C[C@H](C[NH+]1CCCC1)NC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055140691 524314274 /nfs/dbraw/zinc/31/42/74/524314274.db2.gz PPVXSXLPVYFRBK-RDBSUJKOSA-N 2 0 267.417 1.495 10 0 CDAERP C[C@H]1CC[C@@H](C(=O)N2CC[NH+](C(C)(C)C)CC2)C[C@@H]1[NH3+] ZINC000055141057 524330170 /nfs/dbraw/zinc/33/01/70/524330170.db2.gz RADJIWTVCZQUPJ-MJBXVCDLSA-N 2 0 281.444 1.693 10 0 CDAERP C[C@H]1CC[C@@H](C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)C[NH2+]1 ZINC000062943049 524330351 /nfs/dbraw/zinc/33/03/51/524330351.db2.gz PCFFXPGUHYRFOA-BFHYXJOUSA-N 2 0 265.401 1.071 10 0 CDAERP C[C@H](CN1CCOCC1)[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000052206012 524356409 /nfs/dbraw/zinc/35/64/09/524356409.db2.gz BGGUIFJWBSRHCD-HUUCEWRRSA-N 2 0 269.433 1.171 10 0 CDAERP C[C@@H](C[NH+]1CCCC1)NC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000049184800 524591163 /nfs/dbraw/zinc/59/11/63/524591163.db2.gz LAJYIPACBPUSCU-ZQDZILKHSA-N 2 0 279.428 1.508 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCC[C@@H]1C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC000055141080 525088233 /nfs/dbraw/zinc/08/82/33/525088233.db2.gz ZJYUTUOWHQYEIK-RDBSUJKOSA-N 2 0 281.444 1.693 10 0 CDAERP Cc1ccc2c(c1)[nH+]c(N)n2C[C@@H]1C[N@@H+](C)CCN1C ZINC000068807110 526219941 /nfs/dbraw/zinc/21/99/41/526219941.db2.gz GAZHLKKBLSKGDH-LBPRGKRZSA-N 2 0 273.384 1.173 10 0 CDAERP O=C(CCC1CC[NH2+]CC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000050946927 526410025 /nfs/dbraw/zinc/41/00/25/526410025.db2.gz OFXVBQZKMJIQBM-HNNXBMFYSA-N 2 0 279.428 1.463 10 0 CDAERP NC(=[NH2+])c1cc(CN2CC[C@H]([NH+]3CCCCC3)C2)ccn1 ZINC000068761976 526818792 /nfs/dbraw/zinc/81/87/92/526818792.db2.gz BUFWPMSEDQQYQJ-AWEZNQCLSA-N 2 0 287.411 1.426 10 0 CDAERP [NH3+]CCCCC[N@@H+]1CCCN(c2ncccc2F)CC1 ZINC000054700364 527174372 /nfs/dbraw/zinc/17/43/72/527174372.db2.gz QCGQAYXALOXUIQ-UHFFFAOYSA-N 2 0 280.391 1.862 10 0 CDAERP [NH3+]C[C@@H]1CC[C@H](C[NH+]2CCN(c3ccccc3)CC2)O1 ZINC000052417323 527219099 /nfs/dbraw/zinc/21/90/99/527219099.db2.gz CRKVLSJYCZBQLA-JKSUJKDBSA-N 2 0 275.396 1.315 10 0 CDAERP Cc1nccn1CC[N@H+](CCC[NH3+])C1CCCC1 ZINC000049329587 527425364 /nfs/dbraw/zinc/42/53/64/527425364.db2.gz SLSRGULKMVBNNZ-UHFFFAOYSA-N 2 0 250.390 1.785 10 0 CDAERP CC(C)CC[NH+]1CCC(CNC(=O)N[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000417844589 527723804 /nfs/dbraw/zinc/72/38/04/527723804.db2.gz OASVQVNADOKNHR-ZIAGYGMSSA-N 2 0 298.475 1.779 10 0 CDAERP CC[NH+]1CCC(NC(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000416858829 535468005 /nfs/dbraw/zinc/46/80/05/535468005.db2.gz TXNHUQOIGIAUCC-OAHLLOKOSA-N 2 0 290.411 1.470 10 0 CDAERP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)C1C[NH2+]C1 ZINC000262279811 535523724 /nfs/dbraw/zinc/52/37/24/535523724.db2.gz VLGNQBYUIOLGON-UHFFFAOYSA-N 2 0 295.349 1.329 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)[C@@H]2C[C@H]2C)CC1 ZINC000414066082 535741912 /nfs/dbraw/zinc/74/19/12/535741912.db2.gz PDQZIZFNSMAGMG-KBUPBQIOSA-N 2 0 253.434 1.647 10 0 CDAERP CC[N@H+](C)[C@@H](C(=O)N1CCC([NH2+]C)CC1)c1ccccc1 ZINC000236884783 535758362 /nfs/dbraw/zinc/75/83/62/535758362.db2.gz XWCPKGDNLIZPPI-MRXNPFEDSA-N 2 0 289.423 1.890 10 0 CDAERP CC[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CCN1CC(F)F ZINC000420369676 535859784 /nfs/dbraw/zinc/85/97/84/535859784.db2.gz XZQVIKNLJZRZGV-CHWSQXEVSA-N 2 0 275.387 1.647 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCN1CCCCCC1 ZINC000234718036 536595084 /nfs/dbraw/zinc/59/50/84/536595084.db2.gz WFAMYZJPSIUNHO-CQSZACIVSA-N 2 0 257.422 1.206 10 0 CDAERP COc1cc(C)nc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000228546877 536691378 /nfs/dbraw/zinc/69/13/78/536691378.db2.gz LSAAIROLWYIYFT-APHBMKBZSA-N 2 0 275.396 1.958 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](C(C)C)N1CCCC1 ZINC000234787503 536850242 /nfs/dbraw/zinc/85/02/42/536850242.db2.gz ZDGXHSZJTMZFJG-GJZGRUSLSA-N 2 0 271.449 1.450 10 0 CDAERP CC[C@H](C)C[C@@H]([NH3+])CNc1ccnn1C1C[NH2+]C1 ZINC000725258641 538453013 /nfs/dbraw/zinc/45/30/13/538453013.db2.gz VNNYQGGZPAVFPT-WDEREUQCSA-N 2 0 251.378 1.203 10 0 CDAERP C[NH+](C)CCC(=O)NCCC[N@H+](C)CCC(F)(F)F ZINC001689834470 1175280330 /nfs/dbraw/zinc/28/03/30/1175280330.db2.gz LVIKLINDURPGFH-UHFFFAOYSA-N 2 0 283.338 1.329 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NCCC[NH+](C)CC2CC2)C1 ZINC001689841112 1175283159 /nfs/dbraw/zinc/28/31/59/1175283159.db2.gz YQZWCUKDFXOAAW-ZDUSSCGKSA-N 2 0 267.417 1.176 10 0 CDAERP CC[N@H+](C)C[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001690199122 1175400832 /nfs/dbraw/zinc/40/08/32/1175400832.db2.gz KGKJFTHAAQNKDM-CQSZACIVSA-N 2 0 269.433 1.517 10 0 CDAERP C(C[NH2+][C@H]1CCCN2CCCC[C@@H]12)CN1CCOCC1 ZINC000924535898 617408885 /nfs/dbraw/zinc/40/88/85/617408885.db2.gz ZOAGJWYPEVZFIC-HOTGVXAUSA-N 2 0 281.444 1.315 10 0 CDAERP CC1(C)[C@H]([NH2+]CCNc2cnccn2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925556777 617508006 /nfs/dbraw/zinc/50/80/06/617508006.db2.gz MKLDJOJPPYUNAM-KWCYVHTRSA-N 2 0 275.400 1.255 10 0 CDAERP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)C[C@H](C)O1 ZINC000925569359 617517745 /nfs/dbraw/zinc/51/77/45/617517745.db2.gz PQJOQZZVSGHMFF-QKPAOTATSA-N 3 0 295.471 1.735 10 0 CDAERP Cn1ccc(CC[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)n1 ZINC000925639162 617582817 /nfs/dbraw/zinc/58/28/17/617582817.db2.gz KESBCBILNYCIHQ-YPMHNXCESA-N 2 0 250.390 1.458 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@](C)(O)c1ccc(F)cc1 ZINC000925639747 617583740 /nfs/dbraw/zinc/58/37/40/617583740.db2.gz DGLLPXXAQZTSLU-BHZYAJLCSA-N 2 0 292.398 1.963 10 0 CDAERP C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccco1 ZINC000925857294 617896620 /nfs/dbraw/zinc/89/66/20/617896620.db2.gz SKUVYTVBWWZFFI-NWDGAFQWSA-N 2 0 278.352 1.616 10 0 CDAERP CC1(C)CCC[N@@H+]1CCN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925683949 617666878 /nfs/dbraw/zinc/66/68/78/617666878.db2.gz BRVSHFXSRWSOAQ-CHWSQXEVSA-N 2 0 251.418 1.720 10 0 CDAERP C1CCC([C@H]2C[NH2+]CC[C@H]2N[C@H]2CCC[NH2+]C2)C1 ZINC000925700836 617746886 /nfs/dbraw/zinc/74/68/86/617746886.db2.gz WUEVTRSYQDEELI-RRFJBIMHSA-N 2 0 251.418 1.496 10 0 CDAERP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(F)cn1 ZINC000925814887 617766076 /nfs/dbraw/zinc/76/60/76/617766076.db2.gz MRAJHJSTSYKOJH-NSHDSACASA-N 2 0 266.364 1.294 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000924606247 617781887 /nfs/dbraw/zinc/78/18/87/617781887.db2.gz CAZPOGWBRUUKRY-AWVCJSPBSA-N 2 0 272.392 1.920 10 0 CDAERP CO[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)[C@@H]1CCOC1 ZINC000925713157 617816364 /nfs/dbraw/zinc/81/63/64/617816364.db2.gz KECAFZFQEPSYHH-AAVRWANBSA-N 2 0 270.417 1.534 10 0 CDAERP C[NH2+]CCCc1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000843227111 617819378 /nfs/dbraw/zinc/81/93/78/617819378.db2.gz SZCXGLKUCSXBHH-UHFFFAOYSA-N 2 0 257.297 1.536 10 0 CDAERP C[NH+](C)CC[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1cccnc1 ZINC000925828741 617845282 /nfs/dbraw/zinc/84/52/82/617845282.db2.gz ZNALSPSZRWPFNS-OAGGEKHMSA-N 2 0 276.428 1.934 10 0 CDAERP CCO[C@H](CN[C@H]1CC[NH2+]C[C@H]1C1CCCC1)C[NH+](C)C ZINC000925842479 617874003 /nfs/dbraw/zinc/87/40/03/617874003.db2.gz XNHWSPHLHKKNFP-IKGGRYGDSA-N 2 0 297.487 1.711 10 0 CDAERP CC[N@@H+]1CC[C@@H](NC[C@]23CCC[C@H]2[NH2+]CC3)[C@H](C)C1 ZINC000925844094 617877440 /nfs/dbraw/zinc/87/74/40/617877440.db2.gz VYHZQVSXMLZWPT-KLHDSHLOSA-N 2 0 265.445 1.839 10 0 CDAERP [NH3+][C@H]1CCC[C@@H]([NH2+]CCc2cccc3c2OCCO3)C1 ZINC000925875418 617946635 /nfs/dbraw/zinc/94/66/35/617946635.db2.gz SRFBCAWOOZMCEM-UONOGXRCSA-N 2 0 276.380 1.860 10 0 CDAERP O[C@H]1C[C@H](C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925732179 618040259 /nfs/dbraw/zinc/04/02/59/618040259.db2.gz WOFJMMPBOBBXRG-NMFUWQPSSA-N 2 0 252.402 1.515 10 0 CDAERP NC(=O)C1(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CCCC1 ZINC000925505149 618175084 /nfs/dbraw/zinc/17/50/84/618175084.db2.gz UDIOVMLPXLOXRA-HUUCEWRRSA-N 2 0 293.455 1.790 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CC2(C(N)=O)CCCC2)C1 ZINC000925506150 618180033 /nfs/dbraw/zinc/18/00/33/618180033.db2.gz XUGRSDKRQQCZFG-VXGBXAGGSA-N 2 0 267.417 1.528 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000841848981 618720201 /nfs/dbraw/zinc/72/02/01/618720201.db2.gz ZEIBEMFMTKAMBH-LLVKDONJSA-N 2 0 261.369 1.552 10 0 CDAERP COC(=O)[C@@H]1[C@H](CN2CCC[C@@H]([NH+](C)C)CC2)C1(F)F ZINC000894566308 618965972 /nfs/dbraw/zinc/96/59/72/618965972.db2.gz LXMIUWSNQFNYIE-WOPDTQHZSA-N 2 0 290.354 1.457 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000928429912 618994707 /nfs/dbraw/zinc/99/47/07/618994707.db2.gz YPISDIXISSFVPE-HZSPNIEDSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@H]1C[C@H]1NC(=[NH2+])NCC[N@@H+]1CCCC(C)(C)C1 ZINC000864465015 620929664 /nfs/dbraw/zinc/92/96/64/620929664.db2.gz NRAHLFWBTNDJSV-NWDGAFQWSA-N 2 0 252.406 1.631 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000897626231 621036351 /nfs/dbraw/zinc/03/63/51/621036351.db2.gz PCWSKXMLRQMLOB-NRXISQOPSA-N 2 0 293.455 1.992 10 0 CDAERP c1cc(C[NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)n(-c2cc[nH+]cc2)n1 ZINC000897809156 621135498 /nfs/dbraw/zinc/13/54/98/621135498.db2.gz IPBPAURCSRUPRE-LEOABGAYSA-N 2 0 282.347 1.533 10 0 CDAERP C[NH+](C)[C@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C1(C)C ZINC000898103082 621336907 /nfs/dbraw/zinc/33/69/07/621336907.db2.gz RVHNXQKTBIUKAV-STQMWFEESA-N 2 0 267.417 1.316 10 0 CDAERP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)C(C)(C)CO ZINC000924629470 621602021 /nfs/dbraw/zinc/60/20/21/621602021.db2.gz POLMVFKIIIEGDO-CYBMUJFWSA-N 2 0 271.449 1.009 10 0 CDAERP C[NH+](C)C[C@](C)(O)C[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1 ZINC000902886384 625576315 /nfs/dbraw/zinc/57/63/15/625576315.db2.gz NQTRCSKUBARGGH-BRWVUGGUSA-N 2 0 298.471 1.874 10 0 CDAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH+]1CCCCC1 ZINC000900289495 622856727 /nfs/dbraw/zinc/85/67/27/622856727.db2.gz SEGFDHGCVIAIHS-AWEZNQCLSA-N 2 0 279.428 1.320 10 0 CDAERP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+]3CCSC[C@H]23)CC[N@@H+]1C ZINC000900515361 623177908 /nfs/dbraw/zinc/17/79/08/623177908.db2.gz IHFWFVUAVZQNDY-YIYPIFLZSA-N 2 0 297.468 1.023 10 0 CDAERP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[C@]12C[C@H]1COC21CCC1 ZINC000902461766 624853254 /nfs/dbraw/zinc/85/32/54/624853254.db2.gz RKXRFOXLLSEKSH-RFBLXINOSA-N 2 0 276.424 1.923 10 0 CDAERP C1CCC([C@H]2C[NH2+]CC[C@@H]2N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC000902469657 624863228 /nfs/dbraw/zinc/86/32/28/624863228.db2.gz ZTKJJKWQHGANMP-RBGFHDKUSA-N 2 0 263.429 1.637 10 0 CDAERP Cc1nnsc1CON=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000902614184 625027900 /nfs/dbraw/zinc/02/79/00/625027900.db2.gz VGUAKCFGZNTDIC-FGWVZKOKSA-N 2 0 295.412 1.718 10 0 CDAERP C[C@@H](C[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C[NH+](C)C ZINC000902998468 625762289 /nfs/dbraw/zinc/76/22/89/625762289.db2.gz DKARIUUWURYGTL-PKCACUDHSA-N 2 0 252.402 1.587 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC(CN3CCCCC3=O)CC2)C1 ZINC000903439106 625992082 /nfs/dbraw/zinc/99/20/82/625992082.db2.gz DKUKMHSIXFFFFL-JKSUJKDBSA-N 2 0 293.455 1.838 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CC[NH+](CCc2ccccc2)CC1 ZINC000903440734 625993081 /nfs/dbraw/zinc/99/30/81/625993081.db2.gz AVKMKFBWELAVDS-AEFFLSMTSA-N 2 0 287.451 1.702 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCNC[C@@H]2c2ccccc2)C1 ZINC000903458697 625994589 /nfs/dbraw/zinc/99/45/89/625994589.db2.gz HLEHSVBYYKIXPI-NUEKZKHPSA-N 2 0 259.397 1.760 10 0 CDAERP C(C[NH2+][C@H]1CC[NH2+]C12CCC2)CO[C@@H]1CCOC1 ZINC000903470322 626003552 /nfs/dbraw/zinc/00/35/52/626003552.db2.gz KYAXVFMNOOUEEM-OLZOCXBDSA-N 2 0 254.374 1.056 10 0 CDAERP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@H]1C[C@@H]3[C@H](C1)C3(F)F)C2 ZINC000903479900 626005874 /nfs/dbraw/zinc/00/58/74/626005874.db2.gz ZEZQHQHMEOMWEQ-IEECTRCBSA-N 2 0 256.340 1.819 10 0 CDAERP C[C@@H]1C[N@H+](Cc2cn(C(C)(C)C)nn2)C[C@H]1CC[NH3+] ZINC000903498333 626008638 /nfs/dbraw/zinc/00/86/38/626008638.db2.gz DTIIZLVQMPOLSU-VXGBXAGGSA-N 2 0 265.405 1.450 10 0 CDAERP CCOC(=O)CCCC[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903499779 626009066 /nfs/dbraw/zinc/00/90/66/626009066.db2.gz NPIFBHXTDWKQPK-CHWSQXEVSA-N 2 0 256.390 1.637 10 0 CDAERP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)N1CC[NH2+]CC12CCCCC2 ZINC000903741668 626079718 /nfs/dbraw/zinc/07/97/18/626079718.db2.gz QPUQKUKKLCOPAG-HOTGVXAUSA-N 2 0 293.455 1.363 10 0 CDAERP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903784440 626093366 /nfs/dbraw/zinc/09/33/66/626093366.db2.gz OUTDMSSPJALQTQ-BRWVUGGUSA-N 3 0 293.455 1.221 10 0 CDAERP C([C@H]1C[C@]12CCOC2)[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903819898 626102828 /nfs/dbraw/zinc/10/28/28/626102828.db2.gz PNBMTTSVPVYTQZ-CABCVRRESA-N 2 0 280.412 1.258 10 0 CDAERP COC(=O)[C@@H](C)C[N@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903884758 626133089 /nfs/dbraw/zinc/13/30/89/626133089.db2.gz FRHMVKMYQSWVMV-WODVXLOZSA-N 2 0 254.374 1.258 10 0 CDAERP CCCC[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)C1CC1 ZINC000903887162 626134039 /nfs/dbraw/zinc/13/40/39/626134039.db2.gz ZRBQVNWOZILXFF-AWEZNQCLSA-N 2 0 277.416 1.967 10 0 CDAERP COCCO[C@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903914995 626134110 /nfs/dbraw/zinc/13/41/10/626134110.db2.gz WNJJFTUPOXDFLR-DKUMPPAJSA-N 2 0 268.401 1.254 10 0 CDAERP CC[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)CC(C)C ZINC000903887089 626134274 /nfs/dbraw/zinc/13/42/74/626134274.db2.gz YOWGVYCBBLLJPZ-CYBMUJFWSA-N 2 0 265.405 1.681 10 0 CDAERP C[C@H]([C@H](C)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCOCC1 ZINC000903922856 626147364 /nfs/dbraw/zinc/14/73/64/626147364.db2.gz GGHVWZLBTWFWSH-BLNMRFBMSA-N 2 0 281.444 1.216 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[NH2+]C[C@@]2(C)CCCO2)cnn1C ZINC000903924841 626148610 /nfs/dbraw/zinc/14/86/10/626148610.db2.gz IMCLAZPGMQOKEK-DZGCQCFKSA-N 2 0 280.416 1.005 10 0 CDAERP [NH3+]C[C@H](NCc1cccc2c1CC[NH2+]C2)C(F)(F)F ZINC000903932091 626151752 /nfs/dbraw/zinc/15/17/52/626151752.db2.gz MCXYASMIDQXWRT-LBPRGKRZSA-N 2 0 273.302 1.312 10 0 CDAERP Cc1c(C[C@H](C[NH3+])CN2CCCCC[C@@H]([NH3+])C2)cnn1C ZINC000903935961 626153738 /nfs/dbraw/zinc/15/37/38/626153738.db2.gz WSSXYMWTUOQOSK-GDBMZVCRSA-N 2 0 293.459 1.049 10 0 CDAERP [NH3+][C@@H](CNc1ccc([C@@H]2C[C@H]2[NH3+])cc1)CC(F)F ZINC000903935955 626153970 /nfs/dbraw/zinc/15/39/70/626153970.db2.gz WOLCISYRTJHRJJ-ADEWGFFLSA-N 2 0 255.312 1.896 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[NH+]2CCC(C)(F)CC2)cnn1C ZINC000903937940 626155513 /nfs/dbraw/zinc/15/55/13/626155513.db2.gz VWTYTMFHGQELOL-CYBMUJFWSA-N 2 0 282.407 1.670 10 0 CDAERP COC[C@H]([NH2+]C[C@H]([NH3+])CC(C)C)[C@@H]1CCCOC1 ZINC000903959958 626160065 /nfs/dbraw/zinc/16/00/65/626160065.db2.gz SVTJZNIZQJVYHY-MCIONIFRSA-N 2 0 258.406 1.391 10 0 CDAERP C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2cccnc2)C[C@H]1CC[NH3+] ZINC000903977158 626169861 /nfs/dbraw/zinc/16/98/61/626169861.db2.gz KYIPEBILJJZTGA-UKRRQHHQSA-N 2 0 299.422 1.899 10 0 CDAERP CC(C)(C)[NH2+]CCN1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903981355 626170798 /nfs/dbraw/zinc/17/07/98/626170798.db2.gz CDBQATWUSYTKIQ-RKDXNWHRSA-N 2 0 253.312 1.196 10 0 CDAERP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+][C@@H]1CNOC1 ZINC000904421630 626296387 /nfs/dbraw/zinc/29/63/87/626296387.db2.gz LUPSSNVAJCAGSV-OAHLLOKOSA-N 2 0 291.395 1.154 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=[NH2+])NC[C@@H]2CCCS2)C1 ZINC000905043707 626382813 /nfs/dbraw/zinc/38/28/13/626382813.db2.gz YJNPJNHWPKEWQK-OLZOCXBDSA-N 2 0 284.473 1.726 10 0 CDAERP CC1(C)C[NH2+]C[C@@H]1c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000905309875 626758607 /nfs/dbraw/zinc/75/86/07/626758607.db2.gz DXRNJDIWNZUJHF-FGNRJIRKSA-N 2 0 276.384 1.781 10 0 CDAERP CC[N@@H+]1CC[C@H]1CNC(=S)NC[C@@H]1CCC[NH+]1CC ZINC000905547381 626855136 /nfs/dbraw/zinc/85/51/36/626855136.db2.gz CFOCMOBEJXGVHC-STQMWFEESA-N 2 0 284.473 1.029 10 0 CDAERP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)CCC3(O)CCC3)CC[C@H]21 ZINC000905940152 627053167 /nfs/dbraw/zinc/05/31/67/627053167.db2.gz LYTUCZLLSMTXFV-BZUAXINKSA-N 2 0 296.455 1.459 10 0 CDAERP CC[C@H](C(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1)[NH+](C)C ZINC000913269258 630425391 /nfs/dbraw/zinc/42/53/91/630425391.db2.gz ATDSRRJNLRIGFL-SNPRPXQTSA-N 2 0 267.417 1.127 10 0 CDAERP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)C2(O)CCCC2)C1 ZINC000929779006 630935927 /nfs/dbraw/zinc/93/59/27/630935927.db2.gz MHNVTMGSWMUCAO-HUUCEWRRSA-N 2 0 284.444 1.316 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000916874327 632096356 /nfs/dbraw/zinc/09/63/56/632096356.db2.gz VTNKYCCYXWSNHC-RBSFLKMASA-N 2 0 296.459 1.499 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CC[NH+](C)[C@H]1C ZINC000919528459 632620069 /nfs/dbraw/zinc/62/00/69/632620069.db2.gz JREAFVJJTSUALJ-RRFJBIMHSA-N 2 0 296.459 1.643 10 0 CDAERP CC[N@@H+]1CC[C@H]1CN(C)C(=O)CCCC[NH+](C)C ZINC001691068250 1158880522 /nfs/dbraw/zinc/88/05/22/1158880522.db2.gz KJNDPPWOWKMQLA-ZDUSSCGKSA-N 2 0 255.406 1.271 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC ZINC001698824158 1159055225 /nfs/dbraw/zinc/05/52/25/1159055225.db2.gz JMOZBVXAFRWBPA-QWHCGFSZSA-N 2 0 255.406 1.317 10 0 CDAERP CCCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001649460930 1158590814 /nfs/dbraw/zinc/59/08/14/1158590814.db2.gz BTAPCRQSTBPBJL-QWHCGFSZSA-N 2 0 255.406 1.175 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCF)C1CC1 ZINC001269084321 1160028810 /nfs/dbraw/zinc/02/88/10/1160028810.db2.gz KBYADTIFKDLUQN-GJZGRUSLSA-N 2 0 299.434 1.561 10 0 CDAERP C[C@@H]1C[C@@H]1NC(=[NH2+])NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000864464371 1164547941 /nfs/dbraw/zinc/54/79/41/1164547941.db2.gz BBQFNJPBLVAILR-RTXFEEFZSA-N 2 0 250.390 1.526 10 0 CDAERP C[C@@H]1C[C@H](C)[N@H+](CCc2ccc(C(N)=O)cc2)C[C@H]1C[NH3+] ZINC000866667844 1164804177 /nfs/dbraw/zinc/80/41/77/1164804177.db2.gz ZYZGWXBAPNKZRJ-DVOMOZLQSA-N 2 0 289.423 1.633 10 0 CDAERP [NH3+][C@H](C(=O)N1CC[C@@H]([NH3+])C1)c1cccc(Br)c1 ZINC000870933546 1165235288 /nfs/dbraw/zinc/23/52/88/1165235288.db2.gz PKKLCCYVLPROPZ-MNOVXSKESA-N 2 0 298.184 1.009 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)[C@@H]2[NH2+]CC2(C)C)C1 ZINC000870991343 1165249430 /nfs/dbraw/zinc/24/94/30/1165249430.db2.gz DVTXDMATOUVNRC-NHYWBVRUSA-N 2 0 267.417 1.208 10 0 CDAERP CCO[C@@H]1C[N@H+](C[C@@H]2CC3(CCC3)CO2)C[C@H]1C[NH3+] ZINC000872145067 1165385319 /nfs/dbraw/zinc/38/53/19/1165385319.db2.gz OBFWYIMAUCNFFM-HZSPNIEDSA-N 2 0 268.401 1.241 10 0 CDAERP CO[C@H]1C[C@@H](C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)C1 ZINC000872145840 1165385582 /nfs/dbraw/zinc/38/55/82/1165385582.db2.gz WSFOFZYCOZLRRP-HNKHHVNMSA-N 2 0 282.428 1.630 10 0 CDAERP C[NH+](C)C1(C(=O)NCC[N@@H+](C)C2CC2)CCCC1 ZINC001631235960 1166261490 /nfs/dbraw/zinc/26/14/90/1166261490.db2.gz CLJPIOZFIPXFGK-UHFFFAOYSA-N 2 0 253.390 1.071 10 0 CDAERP C[C@H](NC(=O)CC[N@@H+]1CC[C@H](F)C1)C1=CC[NH+](C)CC1 ZINC001632701613 1166369112 /nfs/dbraw/zinc/36/91/12/1166369112.db2.gz OOIBWPGGQXWJRA-JSGCOSHPSA-N 2 0 283.391 1.187 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CC[C@@H](C)F)C1 ZINC001567151863 1168597974 /nfs/dbraw/zinc/59/79/74/1168597974.db2.gz ULNIHCNXLOSVPP-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@H](CCNC(=O)C1CC[NH+](C)CC1)[NH2+]CCCF ZINC001567229764 1168631177 /nfs/dbraw/zinc/63/11/77/1168631177.db2.gz XZSZEXQBXYGZCK-GFCCVEGCSA-N 2 0 273.396 1.172 10 0 CDAERP CC[C@H](C)C[NH2+]CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001567590832 1168872698 /nfs/dbraw/zinc/87/26/98/1168872698.db2.gz MXETYWSPRAJIHL-ZDUSSCGKSA-N 2 0 267.417 1.176 10 0 CDAERP CC[NH+](CC)CC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC001649366190 1169244692 /nfs/dbraw/zinc/24/46/92/1169244692.db2.gz ZEUCNDOPUKGTKH-HIFRSBDPSA-N 2 0 281.444 1.850 10 0 CDAERP CCC[NH2+]C/C=C/CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001568968721 1169567625 /nfs/dbraw/zinc/56/76/25/1169567625.db2.gz AGEFIQSRWKPJRD-QAMKJQMISA-N 2 0 267.417 1.531 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CC[C@@H](C)C[C@H]1n1cncn1 ZINC001650036834 1169634775 /nfs/dbraw/zinc/63/47/75/1169634775.db2.gz KZNYTLPROFPVPK-DGXTUMSLSA-N 2 0 291.443 1.843 10 0 CDAERP CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001569854521 1170018346 /nfs/dbraw/zinc/01/83/46/1170018346.db2.gz CPRPNQOLJIBVOT-STQMWFEESA-N 2 0 255.406 1.031 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]C(C)C)CC[N@@H+]1C ZINC001571388373 1170404800 /nfs/dbraw/zinc/40/48/00/1170404800.db2.gz OXHCYEPGUMZITR-HZSPNIEDSA-N 2 0 269.433 1.562 10 0 CDAERP CC1CC[NH+](CC(=O)N2CCC[C@H](C[NH2+]CCF)C2)CC1 ZINC001661826930 1172450393 /nfs/dbraw/zinc/45/03/93/1172450393.db2.gz GBZBCACBCWXUOQ-OAHLLOKOSA-N 2 0 299.434 1.516 10 0 CDAERP CCC[N@H+](C)CC(=O)NC1CCC([NH2+]CCCF)CC1 ZINC001662138409 1172486257 /nfs/dbraw/zinc/48/62/57/1172486257.db2.gz JYWWJSLOUDGRES-UHFFFAOYSA-N 2 0 287.423 1.705 10 0 CDAERP COCCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001662349515 1172534101 /nfs/dbraw/zinc/53/41/01/1172534101.db2.gz DBNKNHPLTJEAPK-CABCVRRESA-N 2 0 299.459 1.380 10 0 CDAERP CCC[NH2+]CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001664044288 1172805718 /nfs/dbraw/zinc/80/57/18/1172805718.db2.gz VXUVIXYYEROLMV-UHFFFAOYSA-N 2 0 253.390 1.073 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CCC(CC[NH2+]CC2CC2)CC1 ZINC001666262987 1173121779 /nfs/dbraw/zinc/12/17/79/1173121779.db2.gz CEJRYZDWXYFNCK-UHFFFAOYSA-N 2 0 293.455 1.711 10 0 CDAERP C[NH+]1CCC(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CCCF)CC1 ZINC001667750352 1173319594 /nfs/dbraw/zinc/31/95/94/1173319594.db2.gz BJVTYYZSXWATJO-HUUCEWRRSA-N 2 0 299.434 1.562 10 0 CDAERP C[NH+](C)CCCC(=O)N1CCCC[C@H]1C[NH2+]CCF ZINC001674393358 1173937973 /nfs/dbraw/zinc/93/79/73/1173937973.db2.gz ZMYCEHIGBAJHHM-ZDUSSCGKSA-N 2 0 273.396 1.268 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001690721677 1175555509 /nfs/dbraw/zinc/55/55/09/1175555509.db2.gz PKNRIQXCDUCCDB-HNNXBMFYSA-N 2 0 293.455 1.853 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001691794790 1175626979 /nfs/dbraw/zinc/62/69/79/1175626979.db2.gz OPSDEVOTMKWQGV-KKUMJFAQSA-N 2 0 281.444 1.755 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCCCC[C@@H]([NH2+]CCCO)C1 ZINC001692334772 1175739173 /nfs/dbraw/zinc/73/91/73/1175739173.db2.gz YQHOXRHJBHNLSV-OAHLLOKOSA-N 2 0 299.459 1.071 10 0 CDAERP CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001699128837 1176105724 /nfs/dbraw/zinc/10/57/24/1176105724.db2.gz WNCKVJUEUSFPKI-AGIUHOORSA-N 2 0 255.406 1.221 10 0 CDAERP CCC[NH2+]CC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001699154275 1176112971 /nfs/dbraw/zinc/11/29/71/1176112971.db2.gz UYYSPLQMORVNBI-QWHCGFSZSA-N 2 0 257.422 1.467 10 0 CDAERP CCN(CC[NH2+]CCOC)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001699182018 1176130521 /nfs/dbraw/zinc/13/05/21/1176130521.db2.gz SLNVXMVLALXEHQ-UHFFFAOYSA-N 2 0 299.459 1.335 10 0 CDAERP CC(C)CCC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001699598014 1176494069 /nfs/dbraw/zinc/49/40/69/1176494069.db2.gz PBRPGAGYEWREKK-HOTGVXAUSA-N 2 0 295.471 1.859 10 0 CDAERP CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001700225129 1176804747 /nfs/dbraw/zinc/80/47/47/1176804747.db2.gz WSAVOHUIAYYRAG-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC2CC(C[NH2+]C/C=C/Cl)C2)C1 ZINC001700397829 1176904922 /nfs/dbraw/zinc/90/49/22/1176904922.db2.gz RDDZMSYJGDZMDG-UUINJXAGSA-N 2 0 299.846 1.565 10 0 CDAERP COCCCC[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001700854465 1177165924 /nfs/dbraw/zinc/16/59/24/1177165924.db2.gz SKAWURCMNDFKRE-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP C[C@@H]1C[C@@H](CN2CC[N@@H+]3CCCC[C@@H]3C2)CC[NH2+]1 ZINC000235412964 1178237413 /nfs/dbraw/zinc/23/74/13/1178237413.db2.gz WYWYVDFJKUUPFH-QLFBSQMISA-N 2 0 251.418 1.545 10 0 CDAERP CC(C)=CC[N@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001713787415 1178754744 /nfs/dbraw/zinc/75/47/44/1178754744.db2.gz LRCMISXBNGMASE-OAHLLOKOSA-N 2 0 293.455 1.875 10 0 CDAERP CCCC[NH2+]C[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001714078124 1178964117 /nfs/dbraw/zinc/96/41/17/1178964117.db2.gz BNEKHLXOBMTEBF-OAHLLOKOSA-N 2 0 295.471 1.957 10 0 CDAERP CC[C@@H](C)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001714689309 1179331893 /nfs/dbraw/zinc/33/18/93/1179331893.db2.gz CUVZIIAJTQFANK-OLZOCXBDSA-N 2 0 255.406 1.175 10 0 CDAERP CN(CC[NH2+]CCC(C)(C)C)C(=O)C12CC[NH+](CC1)C2 ZINC001714784947 1179396285 /nfs/dbraw/zinc/39/62/85/1179396285.db2.gz ONAFRIKJJBIYSD-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP CCC(CC)C[NH+]1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001714973353 1179485204 /nfs/dbraw/zinc/48/52/04/1179485204.db2.gz XMCLIMZHBFRUSI-UHFFFAOYSA-N 2 0 269.433 1.422 10 0 CDAERP CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001715068847 1179538127 /nfs/dbraw/zinc/53/81/27/1179538127.db2.gz SHWLHWFQGYKWFE-KGLIPLIRSA-N 2 0 269.433 1.611 10 0 CDAERP CC[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CCOC(C)C ZINC001715071227 1179539089 /nfs/dbraw/zinc/53/90/89/1179539089.db2.gz IYXBNXQMTFDQAU-OAHLLOKOSA-N 2 0 299.459 1.238 10 0 CDAERP C[C@@H](C[NH2+]CCCCCF)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001715373631 1179648062 /nfs/dbraw/zinc/64/80/62/1179648062.db2.gz GBIDUVFOLTWRAK-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP COCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)C(C)C ZINC001715476031 1179676464 /nfs/dbraw/zinc/67/64/64/1179676464.db2.gz NOHKYXGXHGSZFU-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP CC/C=C/CC[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001715536457 1179708010 /nfs/dbraw/zinc/70/80/10/1179708010.db2.gz HEEOHJDUCLADGD-LQYUOIDQSA-N 2 0 281.444 1.685 10 0 CDAERP CC[NH2+]C/C=C/CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001715880616 1179895011 /nfs/dbraw/zinc/89/50/11/1179895011.db2.gz YQWUDBWMAQXMNR-UZYOAWRESA-N 2 0 267.417 1.533 10 0 CDAERP CC[NH2+]C/C=C/CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001715882769 1179895679 /nfs/dbraw/zinc/89/56/79/1179895679.db2.gz KFBXHOWMFUXAGZ-AATRIKPKSA-N 2 0 275.396 1.644 10 0 CDAERP CCC[NH2+]CCN(CC)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001716248707 1180119000 /nfs/dbraw/zinc/11/90/00/1180119000.db2.gz IQZJHKKAIMPODR-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CCCC[NH2+]C[C@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001716873569 1180449383 /nfs/dbraw/zinc/44/93/83/1180449383.db2.gz VSZGRTSCQLSCEA-HNNXBMFYSA-N 2 0 269.433 1.566 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CC(C)C ZINC001717435427 1180671208 /nfs/dbraw/zinc/67/12/08/1180671208.db2.gz RKBVUHPKCDZFLO-CHWSQXEVSA-N 2 0 257.422 1.467 10 0 CDAERP CC(C)=CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001717495674 1180710116 /nfs/dbraw/zinc/71/01/16/1180710116.db2.gz VVEFZJFHYQXVLJ-LSDHHAIUSA-N 2 0 283.460 1.975 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CCOC(C)C)C[C@@H]1C ZINC001717826452 1180881350 /nfs/dbraw/zinc/88/13/50/1180881350.db2.gz OWBORULEVXDPSF-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCC1CC1)C1CC1 ZINC001723310927 1181536714 /nfs/dbraw/zinc/53/67/14/1181536714.db2.gz GZOBDLYIQLGZCB-JKSUJKDBSA-N 2 0 293.455 1.755 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]CCCF ZINC001723967692 1181627162 /nfs/dbraw/zinc/62/71/62/1181627162.db2.gz XTIFQVDTAZOFTI-ZDUSSCGKSA-N 2 0 273.396 1.268 10 0 CDAERP CC(C)[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001724269240 1181659549 /nfs/dbraw/zinc/65/95/49/1181659549.db2.gz URTUBYPSMIDKLY-HIFRSBDPSA-N 2 0 267.417 1.175 10 0 CDAERP COCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001724565802 1181695859 /nfs/dbraw/zinc/69/58/59/1181695859.db2.gz ZGEZADTUMSLDPR-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CCC[N@H+](CCCOC)CC1)[NH+](C)C ZINC001724839868 1181769870 /nfs/dbraw/zinc/76/98/70/1181769870.db2.gz UHMCYACMGCECFV-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP CC[N@H+](C)CCC(=O)NC1CC(C[NH2+]CC2CC2)C1 ZINC001725073742 1181845874 /nfs/dbraw/zinc/84/58/74/1181845874.db2.gz MQYNLILKRMDOHO-UHFFFAOYSA-N 2 0 267.417 1.223 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CC ZINC001725494983 1182023572 /nfs/dbraw/zinc/02/35/72/1182023572.db2.gz ZOFGECRKSRBLDG-QWHCGFSZSA-N 2 0 255.406 1.317 10 0 CDAERP CC[N@H+](CCCNC(=O)CC[C@H]1CCC[NH+]1C)C1CC1 ZINC001731333005 1182324168 /nfs/dbraw/zinc/32/41/68/1182324168.db2.gz NBBFKDMZKFXLEU-CQSZACIVSA-N 2 0 281.444 1.851 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]CCCF)C1 ZINC001731696771 1182521606 /nfs/dbraw/zinc/52/16/06/1182521606.db2.gz BDKLQILYGJZVPD-KGLIPLIRSA-N 2 0 287.423 1.705 10 0 CDAERP CC[NH+](CC)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001731817087 1182603250 /nfs/dbraw/zinc/60/32/50/1182603250.db2.gz WVCAIHQCIOXDAM-CQSZACIVSA-N 2 0 269.433 1.565 10 0 CDAERP CCCCC[NH2+]C[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001732344213 1182916835 /nfs/dbraw/zinc/91/68/35/1182916835.db2.gz UNQSXJYSIGWMBB-HOCLYGCPSA-N 2 0 295.471 1.860 10 0 CDAERP Cc1ncc(C[NH2+]CC[C@@H](C)NC(=O)C[NH+]2CCCC2)o1 ZINC001732754788 1183109593 /nfs/dbraw/zinc/10/95/93/1183109593.db2.gz UVWNAJHVIUVJDH-GFCCVEGCSA-N 2 0 294.399 1.063 10 0 CDAERP CCC[NH2+]C/C=C/CNC(=O)[C@H](C)Cc1c[nH]cn1 ZINC001732909380 1183181250 /nfs/dbraw/zinc/18/12/50/1183181250.db2.gz MSPRDYQOPXPAPG-ZYOFXKKJSA-N 2 0 264.373 1.260 10 0 CDAERP C[C@H](C[NH2+]C/C=C/Cl)NC(=O)C12CCC[NH+]1CCC2 ZINC001732961228 1183206307 /nfs/dbraw/zinc/20/63/07/1183206307.db2.gz JXDRCDHHHQAEMA-RPTYSRGTSA-N 2 0 285.819 1.462 10 0 CDAERP C[C@@H](C[N@H+](C)CCCCCF)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001733065195 1183273534 /nfs/dbraw/zinc/27/35/34/1183273534.db2.gz AYVNVUOVNBXCRH-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001733223565 1183349530 /nfs/dbraw/zinc/34/95/30/1183349530.db2.gz YFQTWSYSQDJTJT-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001733538326 1183458800 /nfs/dbraw/zinc/45/88/00/1183458800.db2.gz YLOLTJDUQRMXIK-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H](O)CCC[NH2+]C1(C)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001733867849 1183554863 /nfs/dbraw/zinc/55/48/63/1183554863.db2.gz RJWKQLOVIXFRDY-CQSZACIVSA-N 2 0 299.459 1.070 10 0 CDAERP C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)[NH2+]CCCF ZINC001733978850 1183598711 /nfs/dbraw/zinc/59/87/11/1183598711.db2.gz MWIVVFACDZZIJC-UONOGXRCSA-N 2 0 299.434 1.705 10 0 CDAERP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@H](C[NH2+]CCCF)C1CC1 ZINC001734309800 1183722548 /nfs/dbraw/zinc/72/25/48/1183722548.db2.gz DSBIKPKSVZSIPO-DZGCQCFKSA-N 2 0 299.434 1.514 10 0 CDAERP CCCC[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001734328795 1183734165 /nfs/dbraw/zinc/73/41/65/1183734165.db2.gz QOOMWBFMHKVVTI-CYBMUJFWSA-N 2 0 269.433 1.707 10 0 CDAERP CC[N@@H+]1CC[C@]2(NC(=O)CCCC[NH+](C)C)CCC[C@H]12 ZINC001734442990 1183780426 /nfs/dbraw/zinc/78/04/26/1183780426.db2.gz RXPVOFKQQXOSFU-GOEBONIOSA-N 2 0 281.444 1.851 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]CCCF)C(C)(C)C ZINC001734572760 1183830299 /nfs/dbraw/zinc/83/02/99/1183830299.db2.gz XEPHYJGRRCZPBF-GFCCVEGCSA-N 2 0 275.412 1.418 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)C1CC([NH2+]CC2CC2)C1 ZINC001734605060 1183842470 /nfs/dbraw/zinc/84/24/70/1183842470.db2.gz ONFMVOVYJVABNL-UHFFFAOYSA-N 2 0 267.417 1.316 10 0 CDAERP CN(Cc1ccccc1)C[C@H](O)C[N@H+](C)C[C@H]1CCOC1 ZINC000304767202 1186632515 /nfs/dbraw/zinc/63/25/15/1186632515.db2.gz VYDCVZMUEREASM-SJORKVTESA-N 2 0 292.423 1.448 10 0 CDAERP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CC1CCC(O)CC1 ZINC001771782845 1186870067 /nfs/dbraw/zinc/87/00/67/1186870067.db2.gz TYNJCZUIYHERBW-AEFXTWNNSA-N 2 0 296.455 1.721 10 0 CDAERP CC[C@@H]1CCN(C(=[NH2+])NCC2([NH+](C)C)CCC2)C1 ZINC000864463852 1164548220 /nfs/dbraw/zinc/54/82/20/1164548220.db2.gz LRQORFSGNRZNOA-GFCCVEGCSA-N 2 0 252.406 1.727 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](CCOCC(F)F)C1 ZINC000866709405 1164814401 /nfs/dbraw/zinc/81/44/01/1164814401.db2.gz XFYYUEBWFBYVFT-ZDUSSCGKSA-N 2 0 264.360 1.965 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000866709340 1164814422 /nfs/dbraw/zinc/81/44/22/1164814422.db2.gz WMCGZSAAGPNJHO-HIFRSBDPSA-N 3 0 253.434 1.683 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000870875455 1165226097 /nfs/dbraw/zinc/22/60/97/1165226097.db2.gz OQXMJLLBKJYSMO-NYTXWWLZSA-N 2 0 279.428 1.350 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870948489 1165238456 /nfs/dbraw/zinc/23/84/56/1165238456.db2.gz ISVZLEBNDAPLNK-HDJSIYSDSA-N 2 0 269.433 1.598 10 0 CDAERP CN1Cc2ccccc2[C@@H]1CNC(=O)CCCC[NH3+] ZINC000870979163 1165246962 /nfs/dbraw/zinc/24/69/62/1165246962.db2.gz HJXKRBCVKHKWAY-AWEZNQCLSA-N 2 0 261.369 1.418 10 0 CDAERP C[C@@H](C(=O)Nc1nccs1)[N@H+](C)CCCCCC[NH3+] ZINC000872155048 1165387897 /nfs/dbraw/zinc/38/78/97/1165387897.db2.gz ANEDOXOSJIYEGG-NSHDSACASA-N 2 0 284.429 1.921 10 0 CDAERP CC(C)OC[C@H](O)C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000872204331 1165394395 /nfs/dbraw/zinc/39/43/95/1165394395.db2.gz NYQLVNGJBBMQRE-KGLIPLIRSA-N 2 0 274.449 1.728 10 0 CDAERP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000872294396 1165411102 /nfs/dbraw/zinc/41/11/02/1165411102.db2.gz YNBJJENPIKYVQH-QKDZRIPBSA-N 2 0 277.412 1.057 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC001617913225 1165613976 /nfs/dbraw/zinc/61/39/76/1165613976.db2.gz MIFFRIPXMHHNCF-ZIAGYGMSSA-N 2 0 269.433 1.374 10 0 CDAERP CCCC[NH2+]C/C=C/CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001274612163 1166639442 /nfs/dbraw/zinc/63/94/42/1166639442.db2.gz YKAFBSRFNFWSRW-WLBISTCBSA-N 2 0 281.444 1.921 10 0 CDAERP CC[C@@H](C)C[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001568899147 1167545645 /nfs/dbraw/zinc/54/56/45/1167545645.db2.gz SYWLFQBXNCJJGZ-QAMKJQMISA-N 2 0 267.417 1.389 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)C[NH2+]CC)C1 ZINC001569013638 1167548284 /nfs/dbraw/zinc/54/82/84/1167548284.db2.gz VMGNBFSJMRSVQN-OLZOCXBDSA-N 2 0 255.406 1.223 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(C)C)C1)[NH+](C)C ZINC001266725703 895922409 /nfs/dbraw/zinc/92/24/09/895922409.db2.gz QIYJGXCEULLUOG-FRRDWIJNSA-N 2 0 255.406 1.219 10 0 CDAERP CC[N@@H+]1CC[C@H]1C(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC001646541484 1167915268 /nfs/dbraw/zinc/91/52/68/1167915268.db2.gz RPOLRELEICAJPZ-AWEZNQCLSA-N 2 0 265.401 1.214 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001566814135 1168037506 /nfs/dbraw/zinc/03/75/06/1168037506.db2.gz ZUJLFHWNMXIBSS-AJNGGQMLSA-N 2 0 281.444 1.896 10 0 CDAERP CCC[NH2+][C@@H](CC)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001567962354 1168079147 /nfs/dbraw/zinc/07/91/47/1168079147.db2.gz PKSFSDIUOXNQRP-MELADBBJSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@H]([NH2+]CCO)[C@@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001566536067 1168323472 /nfs/dbraw/zinc/32/34/72/1168323472.db2.gz ZMSSFFTVINKXRD-GJZGRUSLSA-N 2 0 299.459 1.070 10 0 CDAERP CC[N@H+](CCF)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001566563789 1168337619 /nfs/dbraw/zinc/33/76/19/1168337619.db2.gz ITPNSOJAGJOWRT-UHFFFAOYSA-N 2 0 273.396 1.126 10 0 CDAERP CC[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)[C@@H](C)COC ZINC001566563807 1168338208 /nfs/dbraw/zinc/33/82/08/1168338208.db2.gz JLYNHGCIBNKCRS-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000232121543 912531196 /nfs/dbraw/zinc/53/11/96/912531196.db2.gz MMSLMNXSSYXLAH-QEJZJMRPSA-N 2 0 254.418 1.987 10 0 CDAERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CC1CC1 ZINC001567041681 1168524236 /nfs/dbraw/zinc/52/42/36/1168524236.db2.gz BJOZBMHXDLCJKV-GFCCVEGCSA-N 2 0 267.417 1.365 10 0 CDAERP CN1CCC[C@H]1C[N@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699281094 913675743 /nfs/dbraw/zinc/67/57/43/913675743.db2.gz GCMDMBJXRKCUAU-DKUMPPAJSA-N 2 0 251.418 1.543 10 0 CDAERP C[C@H](CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)C[NH+]1CCCCC1 ZINC000713222125 894057831 /nfs/dbraw/zinc/05/78/31/894057831.db2.gz PQROFOCQRAMUDF-NYTXWWLZSA-N 2 0 279.428 1.352 10 0 CDAERP C[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)CC[C@@H]1C[NH3+] ZINC000693053467 894954938 /nfs/dbraw/zinc/95/49/38/894954938.db2.gz DRFCEBFFQRYRLM-MCIONIFRSA-N 2 0 256.390 1.099 10 0 CDAERP COCCC[NH2+][C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001266531766 895249611 /nfs/dbraw/zinc/24/96/11/895249611.db2.gz FVICQNBZGVRRIY-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CN(CC[NH2+]CCCCCF)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001567496651 1168813608 /nfs/dbraw/zinc/81/36/08/1168813608.db2.gz SKICWVYTIOYGSV-HNNXBMFYSA-N 2 0 299.434 1.516 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001267174192 897006761 /nfs/dbraw/zinc/00/67/61/897006761.db2.gz KSWPVMYKVOQHOC-GJZGRUSLSA-N 2 0 281.444 1.851 10 0 CDAERP C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)C1OCCCO1 ZINC000091465903 897085819 /nfs/dbraw/zinc/08/58/19/897085819.db2.gz AJGNQPXSOLJAIG-UHFFFAOYSA-N 2 0 282.428 1.947 10 0 CDAERP CCOCC[N@H+](C)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001267220077 897193498 /nfs/dbraw/zinc/19/34/98/897193498.db2.gz HIKMYYHVQQEHAW-OAHLLOKOSA-N 2 0 299.459 1.335 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]CC2CC2)CC[N@@H+]1C ZINC001267375094 897759635 /nfs/dbraw/zinc/75/96/35/897759635.db2.gz UJEZMTCCMXASDW-UONOGXRCSA-N 2 0 267.417 1.175 10 0 CDAERP CN(CC[NH2+]Cc1ccsc1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001267391229 897851927 /nfs/dbraw/zinc/85/19/27/897851927.db2.gz CTKLZVFLWLEYTH-AWEZNQCLSA-N 2 0 295.452 1.780 10 0 CDAERP Cc1cccc(C[NH2+]CCN(C)C(=O)C[N@@H+](C)C(C)C)c1 ZINC001267473062 898092794 /nfs/dbraw/zinc/09/27/94/898092794.db2.gz ABNBJNBJRJYNLB-UHFFFAOYSA-N 2 0 291.439 1.883 10 0 CDAERP CC[N@H+](CCNC(=O)CC[NH+](C)C)Cc1ccc(C)cc1 ZINC001480998451 898451294 /nfs/dbraw/zinc/45/12/94/898451294.db2.gz ZRQHGYAGLROGNL-UHFFFAOYSA-N 2 0 291.439 1.885 10 0 CDAERP CCCCC[N@@H+]1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001481108850 898871688 /nfs/dbraw/zinc/87/16/88/898871688.db2.gz GGKPYECEAZYEGW-OAHLLOKOSA-N 2 0 295.471 1.957 10 0 CDAERP CCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001279111872 899086763 /nfs/dbraw/zinc/08/67/63/899086763.db2.gz FJYSEUFWPOZRJM-KBPBESRZSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH+](C)C[C@H]1CC[C@H](C)O1 ZINC001420057418 899087382 /nfs/dbraw/zinc/08/73/82/899087382.db2.gz FAUTVPXXKUXGKW-LSDHHAIUSA-N 2 0 299.459 1.284 10 0 CDAERP CCCCC[NH+]1CC(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267693493 899303638 /nfs/dbraw/zinc/30/36/38/899303638.db2.gz HXRMPJKKXDKARY-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001267748770 899562860 /nfs/dbraw/zinc/56/28/60/899562860.db2.gz BLIOAUSOCCNGQG-FZZYSBJUSA-N 2 0 293.455 1.875 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC2CCC2)C1 ZINC001267754597 899597356 /nfs/dbraw/zinc/59/73/56/899597356.db2.gz QCXAMGQUYTXNHV-CQSZACIVSA-N 2 0 267.417 1.317 10 0 CDAERP CC(C)NC(=O)CC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925594535 899844316 /nfs/dbraw/zinc/84/43/16/899844316.db2.gz NSCONOVPNNHBKY-CABCVRRESA-N 2 0 281.444 1.659 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]CCCC1CCC1 ZINC001268013993 900296393 /nfs/dbraw/zinc/29/63/93/900296393.db2.gz ITKVJECTWAZGLT-ZBFHGGJFSA-N 2 0 295.471 1.860 10 0 CDAERP CC[C@H](F)C[NH2+][C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001422019947 902024800 /nfs/dbraw/zinc/02/48/00/902024800.db2.gz BEEZRKVAWYIBSI-MJBXVCDLSA-N 2 0 287.423 1.655 10 0 CDAERP CCCCC[NH2+]CCN(CC)C(=O)C1CC[NH+](C)CC1 ZINC001268476778 902281263 /nfs/dbraw/zinc/28/12/63/902281263.db2.gz TUHYLCWRUWXSGN-UHFFFAOYSA-N 2 0 283.460 1.957 10 0 CDAERP CCC[NH2+]CC1(NC(=O)C[N@H+](C)C2CCC2)CCCC1 ZINC001481898065 902287356 /nfs/dbraw/zinc/28/73/56/902287356.db2.gz QTYMJRWQHVVAEJ-UHFFFAOYSA-N 2 0 281.444 1.899 10 0 CDAERP CC/C=C\CC[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268496979 902396840 /nfs/dbraw/zinc/39/68/40/902396840.db2.gz BOABAEQAAHLRDD-IDTUSYRASA-N 2 0 281.444 1.733 10 0 CDAERP CCCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCc2nccn2C1 ZINC001268559171 902562707 /nfs/dbraw/zinc/56/27/07/902562707.db2.gz BSGAHRUTTBRGDQ-ISZGNANSSA-N 2 0 290.411 1.508 10 0 CDAERP C[C@H](C[NH2+]CC[C@H](C)F)NC(=O)CC1CC[NH+](C)CC1 ZINC001268664423 902919669 /nfs/dbraw/zinc/91/96/69/902919669.db2.gz JBSSJYFAOHOPFM-QWHCGFSZSA-N 2 0 287.423 1.561 10 0 CDAERP CC/C=C/CC[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001268715334 903001104 /nfs/dbraw/zinc/00/11/04/903001104.db2.gz HDPQRSXAMLVRDS-BEVHLOIGSA-N 2 0 267.417 1.389 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C1CC1 ZINC001362074745 903172980 /nfs/dbraw/zinc/17/29/80/903172980.db2.gz XBNVZEFCQSXWOC-ZNMIVQPWSA-N 2 0 281.444 1.563 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001269187784 903526573 /nfs/dbraw/zinc/52/65/73/903526573.db2.gz WJNFNMPLGAGEBL-CYBMUJFWSA-N 2 0 255.406 1.317 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]CCF)C2CCCC2)C1 ZINC001270458183 904654069 /nfs/dbraw/zinc/65/40/69/904654069.db2.gz KPXXAKZEUXIADY-ZIAGYGMSSA-N 2 0 285.407 1.172 10 0 CDAERP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N(C)CCC[NH+](C)C ZINC000713110395 904973624 /nfs/dbraw/zinc/97/36/24/904973624.db2.gz FCVKYLBZHSLENG-GFCCVEGCSA-N 2 0 257.422 1.406 10 0 CDAERP Cc1cnc(C[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+](C)C)s1 ZINC001482323952 905014212 /nfs/dbraw/zinc/01/42/12/905014212.db2.gz ARSNQAILYGRJRP-LLVKDONJSA-N 2 0 298.456 1.340 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC(C)C ZINC001482370376 905222192 /nfs/dbraw/zinc/22/21/92/905222192.db2.gz VURPWUXOKKITNN-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CCC1CC1 ZINC001482565095 907146032 /nfs/dbraw/zinc/14/60/32/907146032.db2.gz IUFMLGTUVGVZEZ-CVEARBPZSA-N 2 0 295.471 1.859 10 0 CDAERP CC[N@@H+]1CC[C@H]1CNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC000922163167 921305846 /nfs/dbraw/zinc/30/58/46/921305846.db2.gz LRESDMSXRGLHNP-XQQFMLRXSA-N 2 0 253.390 1.070 10 0 CDAERP CN(CCN(C)C(=O)CC[NH+](C)C)Cc1cncc(F)c1 ZINC001482624964 908071838 /nfs/dbraw/zinc/07/18/38/908071838.db2.gz CRJBIMOUCSHTTO-UHFFFAOYSA-N 2 0 296.390 1.063 10 0 CDAERP Cn1nc2c(c1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)CCC2 ZINC000922226015 921383249 /nfs/dbraw/zinc/38/32/49/921383249.db2.gz WITMULYKFUHTAP-TXEJJXNPSA-N 2 0 262.401 1.339 10 0 CDAERP C[C@@H](CC[NH2+]Cc1ccon1)NC(=O)C1([NH+](C)C)CCC1 ZINC001482838877 908415326 /nfs/dbraw/zinc/41/53/26/908415326.db2.gz HDIBKJUMCPCNTA-LBPRGKRZSA-N 2 0 294.399 1.143 10 0 CDAERP CC(C)[NH2+]CC[C@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001482840891 908417612 /nfs/dbraw/zinc/41/76/12/908417612.db2.gz ABVNGWFGKFLGGR-UONOGXRCSA-N 2 0 269.433 1.754 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC1CC1 ZINC001483026667 908720005 /nfs/dbraw/zinc/72/00/05/908720005.db2.gz PHJQEYAJWAFOLZ-VQTKUKTRSA-N 2 0 265.401 1.143 10 0 CDAERP COC(OC)[C@@H](C)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000922312896 921508702 /nfs/dbraw/zinc/50/87/02/921508702.db2.gz CVNNRNXOUVQSEB-LLVKDONJSA-N 2 0 276.340 1.364 10 0 CDAERP CCCCNC(=O)[C@@H](C)[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714485700 909746879 /nfs/dbraw/zinc/74/68/79/909746879.db2.gz KITPTVXFSKLGMG-CYBMUJFWSA-N 2 0 283.460 1.988 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)C[NH+]1CCCCC1 ZINC000715092836 909801775 /nfs/dbraw/zinc/80/17/75/909801775.db2.gz FHZFNDBCPCJWKW-SRVKXCTJSA-N 2 0 289.370 1.065 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CC1 ZINC000715094520 909802520 /nfs/dbraw/zinc/80/25/20/909802520.db2.gz NFUWCWVASCPOFX-RYUDHWBXSA-N 2 0 289.370 1.207 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)C[C@H]([NH3+])C2CC2)CC1 ZINC000715181528 909856080 /nfs/dbraw/zinc/85/60/80/909856080.db2.gz QFPSQHLYEXZKQS-ZDUSSCGKSA-N 2 0 267.417 1.447 10 0 CDAERP C[C@@H](C[C@@H]1COCCN1)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000715578656 910016591 /nfs/dbraw/zinc/01/65/91/910016591.db2.gz GAEIBGMWEGHEII-JWMHWRSXSA-N 2 0 283.460 1.606 10 0 CDAERP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1CC(=O)N(CC3CC3)C1)[NH2+]2 ZINC000716764838 910686136 /nfs/dbraw/zinc/68/61/36/910686136.db2.gz HEGKFFYQVOYGGN-NZNQWUEYSA-N 2 0 277.412 1.116 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001483259840 910751284 /nfs/dbraw/zinc/75/12/84/910751284.db2.gz QNMJIFNNKATBKP-AJNGGQMLSA-N 2 0 283.460 1.857 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N(C)CCC[NH2+]CCC2CC2)CC[N@@H+]1C ZINC001483488062 911184809 /nfs/dbraw/zinc/18/48/09/911184809.db2.gz WEFBGTDRQUGTPN-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CC[NH+](C)[C@H]1C ZINC000922510163 921644458 /nfs/dbraw/zinc/64/44/58/921644458.db2.gz KWKPLNBHUKMTPY-MELADBBJSA-N 2 0 284.448 1.499 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001484070951 915391110 /nfs/dbraw/zinc/39/11/10/915391110.db2.gz KAKJLKWUEFFCGF-GOEBONIOSA-N 2 0 283.460 1.953 10 0 CDAERP CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001484094095 915429424 /nfs/dbraw/zinc/42/94/24/915429424.db2.gz NBCCYURCOPZWDR-FMKPAKJESA-N 2 0 281.444 1.565 10 0 CDAERP CCCC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001484381172 915705467 /nfs/dbraw/zinc/70/54/67/915705467.db2.gz OFSGSQTVIFUZCD-LSDHHAIUSA-N 2 0 283.460 1.812 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc3c[nH+]cn3c2)C1 ZINC001179310586 915799490 /nfs/dbraw/zinc/79/94/90/915799490.db2.gz YWVYRPLVYKPIJO-LLVKDONJSA-N 2 0 258.325 1.615 10 0 CDAERP [NH3+][C@H](CC(=O)Nc1cnn(-c2cc[nH+]cc2)c1)C1CC1 ZINC000828420769 936374802 /nfs/dbraw/zinc/37/48/02/936374802.db2.gz NBGAAUALHFMPTK-CYBMUJFWSA-N 2 0 271.324 1.333 10 0 CDAERP CC(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001485305716 916817668 /nfs/dbraw/zinc/81/76/68/916817668.db2.gz GJIVUCNNDSKPMP-BFHYXJOUSA-N 2 0 269.433 1.419 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[N@H+](CCCF)CC1(C)C ZINC001485577268 917103042 /nfs/dbraw/zinc/10/30/42/917103042.db2.gz LITFFAKCHHZOKR-LBPRGKRZSA-N 2 0 273.396 1.124 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC001434413958 917307020 /nfs/dbraw/zinc/30/70/20/917307020.db2.gz XQINXCPAWYFBHL-ZDUSSCGKSA-N 2 0 281.444 1.707 10 0 CDAERP C(CC[NH+]1CCOCC1)C[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000921538675 919002353 /nfs/dbraw/zinc/00/23/53/919002353.db2.gz WQMTVZOFOGEENP-YESZJQIVSA-N 2 0 296.455 1.894 10 0 CDAERP C[C@H]1CCC[N@@H+]1CCNC(=O)c1ccc(C[NH3+])cc1 ZINC000831970952 936550378 /nfs/dbraw/zinc/55/03/78/936550378.db2.gz OUTGCTBACIAGEQ-LBPRGKRZSA-N 2 0 261.369 1.359 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000832501781 936583909 /nfs/dbraw/zinc/58/39/09/936583909.db2.gz AHYYYDNDQXBCRF-IOASZLSFSA-N 2 0 299.434 1.798 10 0 CDAERP C[NH+]1CCC2(CCC[N@H+](C[C@@]3(C)CC[NH2+]C3)C2)CC1 ZINC000843119385 919682660 /nfs/dbraw/zinc/68/26/60/919682660.db2.gz LLGSATLMXRWAKC-HNNXBMFYSA-N 3 0 265.445 1.794 10 0 CDAERP C[NH+](C)CCC[C@H]1C[N@H+](C[C@H]2CCC=CO2)CCO1 ZINC000827855485 936609868 /nfs/dbraw/zinc/60/98/68/936609868.db2.gz DWPUSSVHKCYHFF-CABCVRRESA-N 2 0 268.401 1.722 10 0 CDAERP O[C@H](C[NH2+][C@H]1CC2CCC1CC2)C[NH+]1CCCC1 ZINC000386866168 936635762 /nfs/dbraw/zinc/63/57/62/936635762.db2.gz VFQQOYHFDYKBPV-CVSAEHQPSA-N 2 0 252.402 1.611 10 0 CDAERP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CC1CC2(CCC2)C1 ZINC001485919741 920576915 /nfs/dbraw/zinc/57/69/15/920576915.db2.gz OOWNXYJDXYPKBA-AWEZNQCLSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[NH2+]C[C@@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001568294099 1169229014 /nfs/dbraw/zinc/22/90/14/1169229014.db2.gz BBLRNQVSTGGNBS-GFCCVEGCSA-N 2 0 255.406 1.175 10 0 CDAERP CC(C)[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001486135848 920740499 /nfs/dbraw/zinc/74/04/99/920740499.db2.gz RGGXWVCBUYQLKG-OLZOCXBDSA-N 2 0 255.406 1.314 10 0 CDAERP Cc1cc([C@H]([NH3+])CC(=O)N[C@H](C)CC[NH3+])cc(Cl)n1 ZINC000834453200 936688744 /nfs/dbraw/zinc/68/87/44/936688744.db2.gz OTVGAZNNXKOXES-LDYMZIIASA-N 2 0 284.791 1.287 10 0 CDAERP O=c1cc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc[nH]1 ZINC000921861236 920912698 /nfs/dbraw/zinc/91/26/98/920912698.db2.gz WWQJAGYRAGWNNV-CABCVRRESA-N 2 0 291.395 1.255 10 0 CDAERP COCCC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001486424932 920997260 /nfs/dbraw/zinc/99/72/60/920997260.db2.gz YAVTWASJXRIKPG-UONOGXRCSA-N 2 0 299.459 1.095 10 0 CDAERP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccnn1C ZINC000396458942 936700515 /nfs/dbraw/zinc/70/05/15/936700515.db2.gz ORPNJXMQACEIOW-NWDGAFQWSA-N 2 0 250.390 1.801 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000250321242 921872792 /nfs/dbraw/zinc/87/27/92/921872792.db2.gz NETLVDJZLWUHFX-JHJVBQTASA-N 2 0 253.390 1.104 10 0 CDAERP CCCCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001568319707 1169242615 /nfs/dbraw/zinc/24/26/15/1169242615.db2.gz SFFLCJBQJLWZBR-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)(C)[NH2+]CCC(=O)N1CCC([NH+]2CCC2)CC1 ZINC000700420923 922225158 /nfs/dbraw/zinc/22/51/58/922225158.db2.gz TUKWKZMSXWCMIS-UHFFFAOYSA-N 2 0 267.417 1.461 10 0 CDAERP CC[C@@H](C(=O)N(CC)CC[NH2+]CC1CCCC1)[NH+](C)C ZINC001273611147 922305486 /nfs/dbraw/zinc/30/54/86/922305486.db2.gz UFFSWPRLPDCTTJ-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[NH+]1CCC([NH2+]CCOC2CCOCC2)CC1 ZINC000701395576 922383460 /nfs/dbraw/zinc/38/34/60/922383460.db2.gz OLODBGGMKQJMKW-UHFFFAOYSA-N 2 0 270.417 1.646 10 0 CDAERP COc1ccc(OCC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000710041485 923234630 /nfs/dbraw/zinc/23/46/30/923234630.db2.gz NJEVOBGTQNMAFZ-LSDHHAIUSA-N 2 0 276.380 1.934 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1C[NH2+]CC1(C)C)C[NH+]1CCCCC1 ZINC000711235983 923416860 /nfs/dbraw/zinc/41/68/60/923416860.db2.gz GUWOQTNNLGPIST-KBPBESRZSA-N 2 0 281.444 1.470 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000711279125 923456696 /nfs/dbraw/zinc/45/66/96/923456696.db2.gz FZDWSBDVZTXVHQ-CYBMUJFWSA-N 2 0 267.417 1.032 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001491051103 936846982 /nfs/dbraw/zinc/84/69/82/936846982.db2.gz SYYWLFLJCHWMRB-BETUJISGSA-N 2 0 253.390 1.141 10 0 CDAERP C[N@H+](CC(=O)N[C@H]1C[C@@H]([NH2+]CCCF)C1)CC(C)(C)C ZINC001491055141 936847599 /nfs/dbraw/zinc/84/75/99/936847599.db2.gz LHYIKSDFCRHKAN-BETUJISGSA-N 2 0 287.423 1.561 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N2[C@@H]3CC[C@H]2C[NH+](C)CC3)C1 ZINC000923263044 923688501 /nfs/dbraw/zinc/68/85/01/923688501.db2.gz GSNSNYKBSXNWDJ-MJBXVCDLSA-N 2 0 265.401 1.023 10 0 CDAERP Cc1csc(C(C)(C)[NH2+]C[C@@H]2CC3(C[NH2+]C3)CO2)n1 ZINC000923328197 923735693 /nfs/dbraw/zinc/73/56/93/923735693.db2.gz YOYDIRBMMJYRKY-NSHDSACASA-N 2 0 281.425 1.655 10 0 CDAERP c1ccc2c(c1)CCC[N@@H+](C[C@@H]1CC3(C[NH2+]C3)CO1)C2 ZINC000923311221 923736052 /nfs/dbraw/zinc/73/60/52/923736052.db2.gz IHTHPVMZWIXHND-INIZCTEOSA-N 2 0 272.392 1.813 10 0 CDAERP Cc1csc(C(C)(C)[NH2+]C[C@H]2CC3(C[NH2+]C3)CO2)n1 ZINC000923328196 923736159 /nfs/dbraw/zinc/73/61/59/923736159.db2.gz YOYDIRBMMJYRKY-LLVKDONJSA-N 2 0 281.425 1.655 10 0 CDAERP CC(C)OCC[C@H](O)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000923387549 923802786 /nfs/dbraw/zinc/80/27/86/923802786.db2.gz LWSZUUMERDMKKC-SJORKVTESA-N 2 0 298.471 1.874 10 0 CDAERP CC1(C)CC[NH2+]CC[N@@H+]1C[C@@H](O)Cc1ccccc1 ZINC000923413156 923817888 /nfs/dbraw/zinc/81/78/88/923817888.db2.gz DUEOCOCAJIJBSK-HNNXBMFYSA-N 2 0 262.397 1.664 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001491169874 936868837 /nfs/dbraw/zinc/86/88/37/936868837.db2.gz HDWZCLLHPYNJAI-CQSZACIVSA-N 2 0 281.444 1.566 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCn3c(cnc3C(F)(F)F)C2)C1 ZINC000923448866 923834833 /nfs/dbraw/zinc/83/48/33/923834833.db2.gz XILHECGAVZFMBC-VHSXEESVSA-N 2 0 288.317 1.845 10 0 CDAERP C[C@@H]1OCC[C@H]1C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923442347 923837171 /nfs/dbraw/zinc/83/71/71/923837171.db2.gz BPJQTAZSDCJNGO-IHRRRGAJSA-N 2 0 268.401 1.241 10 0 CDAERP C[C@@H]1OCC[C@@H]1C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923442346 923837975 /nfs/dbraw/zinc/83/79/75/923837975.db2.gz BPJQTAZSDCJNGO-BFHYXJOUSA-N 2 0 268.401 1.241 10 0 CDAERP CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923449226 923841629 /nfs/dbraw/zinc/84/16/29/923841629.db2.gz LTYWYJUHZBQBNY-ZIAGYGMSSA-N 2 0 297.443 1.072 10 0 CDAERP Clc1ccccc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000923465737 923845691 /nfs/dbraw/zinc/84/56/91/923845691.db2.gz KSEDRZOPRHRIOD-UHFFFAOYSA-N 2 0 253.777 1.335 10 0 CDAERP c1sc2ccccc2c1CN1CC[NH2+]CC[NH2+]CC1 ZINC000923461801 923847107 /nfs/dbraw/zinc/84/71/07/923847107.db2.gz WJKUMDQIUDBOHK-UHFFFAOYSA-N 2 0 275.421 1.896 10 0 CDAERP c1c2ccccc2oc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000923461118 923848686 /nfs/dbraw/zinc/84/86/86/923848686.db2.gz YSLAZPWMRCGGQR-UHFFFAOYSA-N 2 0 259.353 1.428 10 0 CDAERP CCOCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001491202498 936874475 /nfs/dbraw/zinc/87/44/75/936874475.db2.gz CYJYFGOVJOJSDL-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP Fc1ccc2c(c1)[C@H](N1CC[NH2+]CC[NH2+]CC1)CC2 ZINC000923463406 923851032 /nfs/dbraw/zinc/85/10/32/923851032.db2.gz RSFYAWLYQAVFDH-OAHLLOKOSA-N 2 0 263.360 1.308 10 0 CDAERP COC(=O)c1cc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cs1 ZINC000923492573 923877602 /nfs/dbraw/zinc/87/76/02/923877602.db2.gz XICNYMUGQMEUEW-ZYHUDNBSSA-N 2 0 282.409 1.951 10 0 CDAERP CCCCNC(=O)CC[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923501208 923886412 /nfs/dbraw/zinc/88/64/12/923886412.db2.gz ZOWRFHPDRBPYRK-QWHCGFSZSA-N 2 0 255.406 1.210 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)C2CC2)[C@H](C)C1 ZINC000838934439 936896989 /nfs/dbraw/zinc/89/69/89/936896989.db2.gz VRJLMVPNKVGEDM-VNQPRFMTSA-N 2 0 284.444 1.484 10 0 CDAERP CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001491477664 936922769 /nfs/dbraw/zinc/92/27/69/936922769.db2.gz LLNOSLYIYGMNFI-JSGCOSHPSA-N 2 0 267.417 1.508 10 0 CDAERP C[N@H+](CC1CC[NH+](C)CC1)CN1C[C@@H]2CCC[C@H]2C1=O ZINC000839990882 936932243 /nfs/dbraw/zinc/93/22/43/936932243.db2.gz KWIDJNOYIWOXOX-LSDHHAIUSA-N 2 0 279.428 1.476 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+]Cc1cnn(-c2ccccc2)n1 ZINC000841078867 936974536 /nfs/dbraw/zinc/97/45/36/936974536.db2.gz HRITWFUMYCSQTG-CYBMUJFWSA-N 2 0 273.384 1.874 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)CCCC[NH+]1CCCC1 ZINC000775818617 925322397 /nfs/dbraw/zinc/32/23/97/925322397.db2.gz ZSLWQJSCPKBOFZ-UHFFFAOYSA-N 2 0 269.433 1.663 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1)[NH2+]C/C=C\Cl ZINC001410378923 925582761 /nfs/dbraw/zinc/58/27/61/925582761.db2.gz KMYJWJILZRUBSX-QECUIDCMSA-N 2 0 296.802 1.702 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)NCCCCCCC[NH+](C)C ZINC000841742656 937013056 /nfs/dbraw/zinc/01/30/56/937013056.db2.gz YZOXDXKNAMRJNF-STQMWFEESA-N 2 0 272.437 1.533 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001488648707 926636982 /nfs/dbraw/zinc/63/69/82/926636982.db2.gz SWTMQXWMNCIFLK-DZEZYYDTSA-N 2 0 293.455 1.970 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001488834282 926731448 /nfs/dbraw/zinc/73/14/48/926731448.db2.gz KVABJTKVCIKQGF-KBUPBQIOSA-N 2 0 299.434 1.703 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[C@@H]([NH2+]CC2CC(C)C2)C1 ZINC001488879966 926747952 /nfs/dbraw/zinc/74/79/52/926747952.db2.gz KWGGTYKKZKHGGD-QJKUTOJQSA-N 2 0 295.471 1.857 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CC2CC2)[C@@H]1C ZINC001410921589 926766039 /nfs/dbraw/zinc/76/60/39/926766039.db2.gz HRDVHSXTVYTXHD-HIFRSBDPSA-N 2 0 281.444 1.706 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001437536925 926796292 /nfs/dbraw/zinc/79/62/92/926796292.db2.gz FMXBMCPWJHOKBD-CQSZACIVSA-N 2 0 283.460 1.812 10 0 CDAERP CC[NH+](CC)CC[C@H](CO)NC[C@H](O)c1ccccc1 ZINC000843104604 937113088 /nfs/dbraw/zinc/11/30/88/937113088.db2.gz PGBXIQAXVPFFRO-CVEARBPZSA-N 2 0 280.412 1.402 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]C(C)C)C(C)(C)C1 ZINC001411105914 927042554 /nfs/dbraw/zinc/04/25/54/927042554.db2.gz LTWRUZXFFMDGTE-AWEZNQCLSA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@H](F)C[N@H+](C)CCCNC(=O)C[NH+]1CCCC1 ZINC001490279511 927071137 /nfs/dbraw/zinc/07/11/37/927071137.db2.gz HVUZSYIRVNRLBA-ZDUSSCGKSA-N 2 0 273.396 1.268 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(C)(C)C ZINC001411208162 927232153 /nfs/dbraw/zinc/23/21/53/927232153.db2.gz GIQDCKKUSKSWHO-KBPBESRZSA-N 2 0 283.460 2.000 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@H]([NH2+]C/C=C/Cl)C1CC1 ZINC001490739714 927316174 /nfs/dbraw/zinc/31/61/74/927316174.db2.gz KVZPOOKYDRGFPQ-YIALFULDSA-N 2 0 285.819 1.319 10 0 CDAERP C[N@H+](CCF)C[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001490775836 927341163 /nfs/dbraw/zinc/34/11/63/927341163.db2.gz DLSKXFNNAYKIJJ-KGLIPLIRSA-N 2 0 285.407 1.078 10 0 CDAERP C[C@@H]1C[C@H]([N@H+](C)CC[C@@H]2COC(C)(C)O2)CCN1C ZINC000851796666 927630963 /nfs/dbraw/zinc/63/09/63/927630963.db2.gz IFTUOIGYCNCGGX-MGPQQGTHSA-N 2 0 270.417 1.943 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000852863667 927900726 /nfs/dbraw/zinc/90/07/26/927900726.db2.gz HZAXVPOTFRBTLM-UHFFFAOYSA-N 2 0 291.439 1.773 10 0 CDAERP [NH3+]Cc1ccc(CNC(=O)C=C2CC[NH2+]CC2)c(F)c1 ZINC000852896050 927910701 /nfs/dbraw/zinc/91/07/01/927910701.db2.gz QPWLSPRVGMLTLD-UHFFFAOYSA-N 2 0 277.343 1.210 10 0 CDAERP C[C@H](C[C@H]1COCCN1)[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000854229008 928173887 /nfs/dbraw/zinc/17/38/87/928173887.db2.gz FTDVSHRKKUDNFQ-XQHKEYJVSA-N 2 0 290.354 1.157 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](NC(=O)NC[C@@H]2CCC[N@@H+]2C)C1 ZINC000858312645 928834335 /nfs/dbraw/zinc/83/43/35/928834335.db2.gz ZHWPKOJGNYHSIZ-IHRRRGAJSA-N 2 0 282.432 1.253 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)N(C)C2CCC([NH3+])CC2)C[NH2+]1 ZINC000861691295 929322759 /nfs/dbraw/zinc/32/27/59/929322759.db2.gz YXOZKFLASTYZAS-CQLXCSJHSA-N 2 0 268.405 1.038 10 0 CDAERP C[NH+](C)CC1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)CCCCC1 ZINC000861913011 929352476 /nfs/dbraw/zinc/35/24/76/929352476.db2.gz WRZIGTHJOLTFNG-FICVDOATSA-N 2 0 293.455 1.517 10 0 CDAERP C[NH+](C)CCCC1CC[NH+](CC[S@](C)=O)CC1 ZINC000787732697 929417064 /nfs/dbraw/zinc/41/70/64/929417064.db2.gz ZHCHYSLAKYUQLB-KRWDZBQOSA-N 2 0 260.447 1.419 10 0 CDAERP CC[C@@H]1C[C@H](C[NH2+]CC2([NH3+])CCOCC2)CCO1 ZINC000863482011 929558223 /nfs/dbraw/zinc/55/82/23/929558223.db2.gz PPPFVCFRTFKVDL-CHWSQXEVSA-N 2 0 256.390 1.289 10 0 CDAERP C[C@@H]([NH2+]CCOCCC[NH3+])c1cnn(-c2ccccc2)c1 ZINC000863547062 929569093 /nfs/dbraw/zinc/56/90/93/929569093.db2.gz OOXUNYPRDFCWSS-CQSZACIVSA-N 2 0 288.395 1.888 10 0 CDAERP C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000864055093 929629224 /nfs/dbraw/zinc/62/92/24/929629224.db2.gz IAMAWJQZCDHCFI-RDBSUJKOSA-N 2 0 273.424 1.903 10 0 CDAERP CC[NH+](CC)CCCCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001137167399 929876328 /nfs/dbraw/zinc/87/63/28/929876328.db2.gz GSDBXJNDNCJYJP-OAHLLOKOSA-N 2 0 299.459 1.193 10 0 CDAERP C([C@H]1CCOC1)[NH+]1CCC([NH2+][C@H]2CCCSC2)CC1 ZINC000131536533 930182478 /nfs/dbraw/zinc/18/24/78/930182478.db2.gz PKQWIKWGAZODKQ-HIFRSBDPSA-N 2 0 284.469 1.973 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)[C@H](O)c1ccc2c(c1)OCO2 ZINC000817927344 930620676 /nfs/dbraw/zinc/62/06/76/930620676.db2.gz JPORROISDZJQGS-VEABSNGSSA-N 2 0 280.368 1.553 10 0 CDAERP c1[nH+]cn2ccc(-c3noc([C@@H]4C[C@@]45CC[NH2+]C5)n3)cc12 ZINC000823167513 931269215 /nfs/dbraw/zinc/26/92/15/931269215.db2.gz ILBCURCWTVTWEV-SWLSCSKDSA-N 2 0 281.319 1.851 10 0 CDAERP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1[NH2+]CCCF ZINC001274299124 931488846 /nfs/dbraw/zinc/48/88/46/931488846.db2.gz SQTAAEOVNXELHO-CABCVRRESA-N 2 0 299.434 1.659 10 0 CDAERP CC1CC[NH+](CC(=O)NC/C=C/C[NH2+]CCC2CC2)CC1 ZINC001274464173 931502073 /nfs/dbraw/zinc/50/20/73/931502073.db2.gz KRVLUDIELKYKFQ-NSCUHMNNSA-N 2 0 293.455 1.780 10 0 CDAERP CC[NH2+][C@H](C)[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001275525947 931855901 /nfs/dbraw/zinc/85/59/01/931855901.db2.gz BRWYFTPKSTUXOC-OLZOCXBDSA-N 2 0 255.406 1.221 10 0 CDAERP Nc1nccc([C@@H]2CCC[N@H+](CCCCCC[NH3+])C2)n1 ZINC000846220601 931995756 /nfs/dbraw/zinc/99/57/56/931995756.db2.gz MTSNAEFZAQYGFJ-CYBMUJFWSA-N 2 0 277.416 1.757 10 0 CDAERP COCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)C(C)C ZINC001275817929 932062198 /nfs/dbraw/zinc/06/21/98/932062198.db2.gz TZIWCLIACVOSPX-GJZGRUSLSA-N 2 0 299.459 1.238 10 0 CDAERP O=C(CC[N@H+]1CC[C@H](F)C1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001412529822 932469803 /nfs/dbraw/zinc/46/98/03/932469803.db2.gz PXNFBQAYJDWGFV-LSDHHAIUSA-N 2 0 297.418 1.507 10 0 CDAERP CC(C)CCC[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001276174638 932597223 /nfs/dbraw/zinc/59/72/23/932597223.db2.gz VLMNTYPQFOZNBG-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2[C@@H](C)COC[C@H]2C)C1 ZINC000924753841 932819421 /nfs/dbraw/zinc/81/94/21/932819421.db2.gz QOIORPQGNQFWCE-BARDWOONSA-N 2 0 254.418 1.979 10 0 CDAERP CCC[NH+]1CCC(C[NH2+]C2CCN(OC)CC2)CC1 ZINC000924956182 932836421 /nfs/dbraw/zinc/83/64/21/932836421.db2.gz UVGAFBSWXRXEGK-UHFFFAOYSA-N 2 0 269.433 1.724 10 0 CDAERP C[C@H]1COC[C@H](C)C1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000924966458 932838123 /nfs/dbraw/zinc/83/81/23/932838123.db2.gz OFVRMNPTPGKQQG-GJZGRUSLSA-N 2 0 283.460 1.275 10 0 CDAERP CN(CC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)CC(F)(F)F ZINC000925475399 932890224 /nfs/dbraw/zinc/89/02/24/932890224.db2.gz CLPKRLQKNFBTSC-MNOVXSKESA-N 2 0 281.366 1.976 10 0 CDAERP [NH3+]CCC[C@H]([NH2+]CCCN1CCOC1=O)c1ccccc1 ZINC000925479754 932891481 /nfs/dbraw/zinc/89/14/81/932891481.db2.gz SFORLFAYHOJNFM-HNNXBMFYSA-N 2 0 291.395 1.899 10 0 CDAERP Cc1cc(C)n(CCC[NH2+][C@@H]2CC[NH2+]C23CCC3)n1 ZINC000925510280 932895557 /nfs/dbraw/zinc/89/55/57/932895557.db2.gz TYECHLDBSQJCTA-CQSZACIVSA-N 2 0 262.401 1.764 10 0 CDAERP C(C[NH2+][C@@H]1CC[NH2+]C12CCCC2)COC[C@H]1CCOC1 ZINC000925522682 932898115 /nfs/dbraw/zinc/89/81/15/932898115.db2.gz OODPCHVXPDUSCB-HUUCEWRRSA-N 2 0 282.428 1.694 10 0 CDAERP CC(C)C[C@H](CN[C@H]1CC[NH2+]C12CCC2)[NH+](C)C ZINC000925535653 932901166 /nfs/dbraw/zinc/90/11/66/932901166.db2.gz IGUAYPCXGGIZMZ-KGLIPLIRSA-N 2 0 253.434 1.837 10 0 CDAERP CN(CCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2)CC(F)(F)F ZINC000925546762 932902838 /nfs/dbraw/zinc/90/28/38/932902838.db2.gz KHMXDHMYGHHORI-QWRGUYRKSA-N 2 0 279.350 1.730 10 0 CDAERP CC1(C)[C@@H]([NH2+]CCCN2CCCCC2=O)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925547762 932903408 /nfs/dbraw/zinc/90/34/08/932903408.db2.gz CXXRXPCBTIBFKO-KBMXLJTQSA-N 2 0 293.455 1.755 10 0 CDAERP CC(C)N1CC[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1=O ZINC000925601704 932913162 /nfs/dbraw/zinc/91/31/62/932913162.db2.gz NDPHJCZQNZPBNM-UPJWGTAASA-N 2 0 267.417 1.491 10 0 CDAERP C[C@H](CN[C@@H]1CC[NH2+]C12CCC2)[NH+]1CCCCC1 ZINC000925611438 932914383 /nfs/dbraw/zinc/91/43/83/932914383.db2.gz CLBHKPYHJDGIOX-ZIAGYGMSSA-N 2 0 251.418 1.735 10 0 CDAERP Cn1cncc1CC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925647588 932920751 /nfs/dbraw/zinc/92/07/51/932920751.db2.gz YZJUGPCCNLWHIK-HZPDHXFCSA-N 2 0 276.428 1.721 10 0 CDAERP CO[C@@H](CC[NH2+][C@H]1CC[NH2+]C1(C)C)C(F)(F)F ZINC000925647170 932921187 /nfs/dbraw/zinc/92/11/87/932921187.db2.gz ZQTJEDBXIFGKOU-IUCAKERBSA-N 2 0 254.296 1.684 10 0 CDAERP CCN(C)C(=O)[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925648781 932921238 /nfs/dbraw/zinc/92/12/38/932921238.db2.gz FYQZDEIJTGOSRT-TUAOUCFPSA-N 2 0 255.406 1.349 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]CC2(CO)CC3(CCC3)C2)C12CCC2 ZINC000925652463 932922282 /nfs/dbraw/zinc/92/22/82/932922282.db2.gz FPHBRHMUKXNPOP-CHWSQXEVSA-N 2 0 264.413 1.789 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925676506 932925184 /nfs/dbraw/zinc/92/51/84/932925184.db2.gz NESBUQIAZUZTJB-MGPQQGTHSA-N 2 0 253.434 1.966 10 0 CDAERP Cn1ncc(CCC[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)n1 ZINC000925678010 932926633 /nfs/dbraw/zinc/92/66/33/932926633.db2.gz RZGCDUCEZZXQPA-MJBXVCDLSA-N 2 0 277.416 1.114 10 0 CDAERP [NH3+]CC1(CC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925701815 932929357 /nfs/dbraw/zinc/92/93/57/932929357.db2.gz GCVLIOMLAXTKJY-GJZGRUSLSA-N 3 0 265.445 1.873 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]CCC[C@H]2CCOC2=O)C12CCC2 ZINC000925731098 932933480 /nfs/dbraw/zinc/93/34/80/932933480.db2.gz RVKPLHOZNSKZIM-QJPTWQEYSA-N 2 0 252.358 1.189 10 0 CDAERP CC1(C)C[C@@H]([NH2+][C@@H]2CC(=O)N(CC3CC3)C2)C[C@@H]([NH3+])C1 ZINC000925769857 932937778 /nfs/dbraw/zinc/93/77/78/932937778.db2.gz GHDSEUDQTCQESL-HZSPNIEDSA-N 2 0 279.428 1.493 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H]2CC(=O)N(CC3CC3)C2)C1 ZINC000925769858 932937852 /nfs/dbraw/zinc/93/78/52/932937852.db2.gz GHDSEUDQTCQESL-MCIONIFRSA-N 2 0 279.428 1.493 10 0 CDAERP FC1(F)CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC12CCOCC2 ZINC000925777480 932938087 /nfs/dbraw/zinc/93/80/87/932938087.db2.gz PEGVJZYXPCBCJG-VXGBXAGGSA-N 2 0 274.355 1.780 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc2c(c1)OCCO2 ZINC000925790046 932939386 /nfs/dbraw/zinc/93/93/86/932939386.db2.gz FLYBMEGKYIGODX-DYEKYZERSA-N 2 0 276.380 1.964 10 0 CDAERP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925808214 932940929 /nfs/dbraw/zinc/94/09/29/932940929.db2.gz BBDLFDDNTLNCLQ-NHAGDIPZSA-N 2 0 253.434 1.824 10 0 CDAERP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(Cl)cn1 ZINC000925813594 932942051 /nfs/dbraw/zinc/94/20/51/932942051.db2.gz XCEMDOHRLAIHLD-NSHDSACASA-N 2 0 282.819 1.809 10 0 CDAERP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925814945 932942175 /nfs/dbraw/zinc/94/21/75/932942175.db2.gz NOIOCYGURHFWLF-DYVFJYSZSA-N 2 0 273.424 1.933 10 0 CDAERP CN(C)[C@H](CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)C(F)(F)F ZINC000925836756 932944641 /nfs/dbraw/zinc/94/46/41/932944641.db2.gz MJNJAESSJRKFQN-GMTAPVOTSA-N 2 0 267.339 1.729 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000925834126 932944937 /nfs/dbraw/zinc/94/49/37/932944937.db2.gz GDLJKPDJEVCMKF-JGVFFNPUSA-N 2 0 264.295 1.654 10 0 CDAERP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925882831 932950230 /nfs/dbraw/zinc/95/02/30/932950230.db2.gz VHLWOTRXOMOFKH-MWDXBVQZSA-N 3 0 285.435 1.905 10 0 CDAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CO[C@H](C)[C@H]1C ZINC000926199170 932973481 /nfs/dbraw/zinc/97/34/81/932973481.db2.gz CHWKSVGCZGXQCG-KBUPBQIOSA-N 2 0 269.433 1.025 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@@H+]1C ZINC000928438734 933145152 /nfs/dbraw/zinc/14/51/52/933145152.db2.gz UZQIWOJKWDYHEZ-MFKMUULPSA-N 2 0 258.325 1.157 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1)[NH+](C)C ZINC000928829650 933181598 /nfs/dbraw/zinc/18/15/98/933181598.db2.gz LAXJCISMJXXAQV-GJZGRUSLSA-N 2 0 292.427 1.531 10 0 CDAERP Cc1cc(C[NH+]2CCC(C[NH+](C)C)CC2)c(C)nn1 ZINC000929283076 933221227 /nfs/dbraw/zinc/22/12/27/933221227.db2.gz MFWOIDSUFDABKY-UHFFFAOYSA-N 2 0 262.401 1.867 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](CCc2nnc(C)o2)CC1 ZINC000929278444 933221750 /nfs/dbraw/zinc/22/17/50/933221750.db2.gz YOVJSEAAGBFRSA-UHFFFAOYSA-N 2 0 280.416 1.974 10 0 CDAERP CC(C)[NH+]1CCC([N@H+](C)C[C@@H]2C[C@@H]3COC[C@H]3O2)CC1 ZINC000929471703 933238156 /nfs/dbraw/zinc/23/81/56/933238156.db2.gz YAUNACRNPONIGB-VNQPRFMTSA-N 2 0 282.428 1.595 10 0 CDAERP COC/C(C)=C\C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000930138402 933324129 /nfs/dbraw/zinc/32/41/29/933324129.db2.gz ZBHHIFFVDYKTGU-WCLYRPPWSA-N 2 0 295.471 1.537 10 0 CDAERP C[NH+](C)C1(C)CC[NH+](CC[C@@H]2COC(C)(C)O2)CC1 ZINC000931352279 933545577 /nfs/dbraw/zinc/54/55/77/933545577.db2.gz HQJNILYAUJPPRA-CYBMUJFWSA-N 2 0 270.417 1.944 10 0 CDAERP Nc1cccc(C[NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)c1 ZINC001119544060 937730475 /nfs/dbraw/zinc/73/04/75/937730475.db2.gz BVQIOKZWUSTQFX-CQSZACIVSA-N 2 0 286.383 1.075 10 0 CDAERP C[NH+]1CCC(C(=O)N2CCC([NH+]3CCC3)CC2)CC1 ZINC001119658834 937745231 /nfs/dbraw/zinc/74/52/31/937745231.db2.gz GRYQFBQBCLBJAL-UHFFFAOYSA-N 2 0 265.401 1.025 10 0 CDAERP COC(CC[NH+]1CCC2(CC[NH+](C)CC2)CC1)OC ZINC000686611756 934179451 /nfs/dbraw/zinc/17/94/51/934179451.db2.gz OCBWJSDLLSGJGD-UHFFFAOYSA-N 2 0 270.417 1.803 10 0 CDAERP CO[C@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCSC1 ZINC000719231376 934846376 /nfs/dbraw/zinc/84/63/76/934846376.db2.gz VTOACIRBQFTBSO-GSPSYOTPSA-N 2 0 270.442 1.723 10 0 CDAERP CC(C)[NH2+]CCCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001276332992 935015849 /nfs/dbraw/zinc/01/58/49/935015849.db2.gz NJIVTZIHKCJMLS-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP C1[NH2+]C[C@H]2C[C@H]([NH2+][C@H]3CCCN4CCSC[C@H]34)CC[C@H]12 ZINC000720485083 935166231 /nfs/dbraw/zinc/16/62/31/935166231.db2.gz SZFOMAWWDFEORD-DGXTUMSLSA-N 2 0 295.496 1.544 10 0 CDAERP COC[C@H](C)C[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720845072 935256644 /nfs/dbraw/zinc/25/66/44/935256644.db2.gz OYRLYVDBGDSMBK-KXUCPTDWSA-N 2 0 254.296 1.338 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]CCC(F)(F)F)C1CC1 ZINC001276649158 940599572 /nfs/dbraw/zinc/59/95/72/940599572.db2.gz XLLGLQZLXXXAEQ-LLVKDONJSA-N 2 0 295.349 1.375 10 0 CDAERP COCCOCCCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405301126 940979731 /nfs/dbraw/zinc/97/97/31/940979731.db2.gz JLFIAZLGXZSQQV-STQMWFEESA-N 2 0 256.390 1.289 10 0 CDAERP [NH3+][C@H]1C[C@H]([NH2+]CCOCC(F)(F)F)C12CCC2 ZINC000405376446 940985887 /nfs/dbraw/zinc/98/58/87/940985887.db2.gz BLPQLMNISPCRCM-IUCAKERBSA-N 2 0 252.280 1.425 10 0 CDAERP CC[N@H+](CCNC(=O)CC[NH+]1CC[C@@H](F)C1)C1CC1 ZINC001362033601 970799688 /nfs/dbraw/zinc/79/96/88/970799688.db2.gz WHEZOUXRUZHNQD-GFCCVEGCSA-N 2 0 271.380 1.021 10 0 CDAERP CCCCCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001277020460 941824240 /nfs/dbraw/zinc/82/42/40/941824240.db2.gz SSMCXWNSFJOHKT-CQSZACIVSA-N 2 0 281.444 1.899 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001277208790 942176965 /nfs/dbraw/zinc/17/69/65/942176965.db2.gz ICUYIEFSPBRYAC-UHFFFAOYSA-N 2 0 281.444 1.757 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC001362115044 970905875 /nfs/dbraw/zinc/90/58/75/970905875.db2.gz QGRHECWAXFYWRH-GFCCVEGCSA-N 2 0 287.367 1.794 10 0 CDAERP COCCC[N@H+](C)C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001277447840 942589186 /nfs/dbraw/zinc/58/91/86/942589186.db2.gz RRVJLZXSASVUDV-UHFFFAOYSA-N 2 0 299.459 1.286 10 0 CDAERP CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001330988731 942989146 /nfs/dbraw/zinc/98/91/46/942989146.db2.gz PIFNNHBNVXXWQQ-ZIAGYGMSSA-N 2 0 269.433 1.755 10 0 CDAERP CC(C)CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001284001044 943044427 /nfs/dbraw/zinc/04/44/27/943044427.db2.gz ADSIBFBBHOJONS-UONOGXRCSA-N 2 0 269.433 1.563 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CCCF)CN1C(=O)C1CC[NH+](C)CC1 ZINC001284003975 943045156 /nfs/dbraw/zinc/04/51/56/943045156.db2.gz NGOOIQMQUHLRDQ-TZMCWYRMSA-N 2 0 285.407 1.267 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CCOC(C)C)C[C@@H]1C ZINC001284026948 943055443 /nfs/dbraw/zinc/05/54/43/943055443.db2.gz SRKGDXITPXLESC-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]CCCF)C1 ZINC001284771796 943257105 /nfs/dbraw/zinc/25/71/05/943257105.db2.gz VPAVUINJZPFRHF-YMAMQOFZSA-N 2 0 299.434 1.799 10 0 CDAERP CC[NH+](CC)CC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001264011964 944062214 /nfs/dbraw/zinc/06/22/14/944062214.db2.gz COPDGDQAZWUNTN-ZDUSSCGKSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001277932074 944098090 /nfs/dbraw/zinc/09/80/90/944098090.db2.gz CLTLASOSYOZJOD-CQSZACIVSA-N 2 0 269.433 1.565 10 0 CDAERP C[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]CCCF)C2)CC1 ZINC001264401956 944126825 /nfs/dbraw/zinc/12/68/25/944126825.db2.gz KNXFFVDJQHPVKY-XBXGTLAGSA-N 2 0 285.407 1.172 10 0 CDAERP CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCC[NH+](C)C ZINC001264558737 944148837 /nfs/dbraw/zinc/14/88/37/944148837.db2.gz ZHBSBBWGXKCLAT-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H]1C ZINC001264720369 944169580 /nfs/dbraw/zinc/16/95/80/944169580.db2.gz LVNKQMCBZQVZTI-AGIUHOORSA-N 2 0 255.406 1.316 10 0 CDAERP CC[C@H](F)C[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001265001410 944197666 /nfs/dbraw/zinc/19/76/66/944197666.db2.gz WEWAISLFTPKBHM-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CC[N@H+](C)CCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001265058413 944217903 /nfs/dbraw/zinc/21/79/03/944217903.db2.gz TXVZHSNEYPWEOD-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC1=CCCCC1 ZINC001265758319 944493291 /nfs/dbraw/zinc/49/32/91/944493291.db2.gz ATJFDKAZOHMEDL-DZGCQCFKSA-N 2 0 279.428 1.675 10 0 CDAERP C[NH+](C)CC1(C(=O)N2CC[C@H](C[NH2+]CCC3CC3)C2)CC1 ZINC001266009437 944627816 /nfs/dbraw/zinc/62/78/16/944627816.db2.gz SQRODRPQLPMVIW-OAHLLOKOSA-N 2 0 293.455 1.566 10 0 CDAERP Cc1cc(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)[nH]n1 ZINC001261600922 946193348 /nfs/dbraw/zinc/19/33/48/946193348.db2.gz WOTCABBDFCRTLH-ZDUSSCGKSA-N 2 0 267.421 1.080 10 0 CDAERP CC(C)[C@H](C(=O)NC/C=C/C[NH2+]CC1CC(C)C1)[NH+](C)C ZINC001568913442 1169546630 /nfs/dbraw/zinc/54/66/30/1169546630.db2.gz DLPARXYAGNGGAA-CIKVDISVSA-N 2 0 295.471 1.881 10 0 CDAERP CO[C@@H](C)C[NH2+]C/C=C\CNC(=O)CC1CC[NH+](C)CC1 ZINC001568930508 1169553452 /nfs/dbraw/zinc/55/34/52/1169553452.db2.gz HTXUKVULMMQEEM-WSNITJDQSA-N 2 0 297.443 1.015 10 0 CDAERP CC[C@@H](F)C[NH2+]C/C=C\CNC(=O)C[NH+]1CCC(C)CC1 ZINC001568939448 1169554384 /nfs/dbraw/zinc/55/43/84/1169554384.db2.gz MIZUADITDMWACH-FOSCPCJNSA-N 2 0 299.434 1.728 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001479340339 971303389 /nfs/dbraw/zinc/30/33/89/971303389.db2.gz GLAUHBAMXPVVBO-XDQVBPFNSA-N 2 0 285.407 1.171 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CCCF)CN1C(=O)C12CC[NH+](CC1)C2 ZINC001278416249 947813776 /nfs/dbraw/zinc/81/37/76/947813776.db2.gz LLRMSMUPKVVHHX-CHWSQXEVSA-N 2 0 283.391 1.021 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001278415271 947815219 /nfs/dbraw/zinc/81/52/19/947815219.db2.gz GRSZPIWDBOZQLD-CABCVRRESA-N 2 0 291.439 1.627 10 0 CDAERP CCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001278572678 950216549 /nfs/dbraw/zinc/21/65/49/950216549.db2.gz QFCZZKJCRXIFQY-ZBFHGGJFSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C[NH2+]CC2CCC2)C1 ZINC001480306999 971665408 /nfs/dbraw/zinc/66/54/08/971665408.db2.gz OOXFVULTACVVEK-MRXNPFEDSA-N 2 0 295.471 1.955 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH+]1CC[C@@H](F)C1 ZINC001363037669 971833758 /nfs/dbraw/zinc/83/37/58/971833758.db2.gz DXSZIEAFSFXCNI-OLZOCXBDSA-N 2 0 271.380 1.021 10 0 CDAERP CC[C@H](C[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1)OC ZINC001480683881 971836337 /nfs/dbraw/zinc/83/63/37/971836337.db2.gz TUDMDRKOUKIFLE-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@@H](O)CCC[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001480734436 971857171 /nfs/dbraw/zinc/85/71/71/971857171.db2.gz FPKPENZIIZEARP-HUUCEWRRSA-N 2 0 299.459 1.022 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NCCC[C@H]2CCC[NH+]2CC2CC2)C1 ZINC001480832840 971898414 /nfs/dbraw/zinc/89/84/14/971898414.db2.gz IADWUWPICLBWJT-CVEARBPZSA-N 2 0 293.455 1.709 10 0 CDAERP CCCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001493161970 971961658 /nfs/dbraw/zinc/96/16/58/971961658.db2.gz XDZKQEWFCZEDBB-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)NCCc2cn(C)cn2)CC[N@@H+]1C ZINC001364284872 954422062 /nfs/dbraw/zinc/42/20/62/954422062.db2.gz HNXNEAZEFUJERD-OCCSQVGLSA-N 2 0 293.415 1.087 10 0 CDAERP C[C@H]1OCC[C@H]1C[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001364508931 954710391 /nfs/dbraw/zinc/71/03/91/954710391.db2.gz CHZQKEIPJNEKOJ-KGLIPLIRSA-N 2 0 282.428 1.644 10 0 CDAERP CCCCC[NH2+][C@@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001327591335 954949442 /nfs/dbraw/zinc/94/94/42/954949442.db2.gz JISMAOWRLSDPPR-INIZCTEOSA-N 2 0 299.459 1.071 10 0 CDAERP CCC[NH2+][C@@H](C)CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001328354200 955272532 /nfs/dbraw/zinc/27/25/32/955272532.db2.gz PSBHKOBAKIEWMT-KBPBESRZSA-N 2 0 269.433 1.755 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cscn2)CC1 ZINC001328506834 955316810 /nfs/dbraw/zinc/31/68/10/955316810.db2.gz KCULAIFWXIRTIT-UHFFFAOYSA-N 2 0 296.440 1.223 10 0 CDAERP CCCC[NH2+]CCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001493592532 972085775 /nfs/dbraw/zinc/08/57/75/972085775.db2.gz UNVFFJCJKUJELX-LSDHHAIUSA-N 2 0 281.444 1.851 10 0 CDAERP CC[N@H+](C)[C@@H](C(=O)NC[C@@H](C)[NH2+]CCF)c1ccccc1 ZINC001491640120 955339953 /nfs/dbraw/zinc/33/99/53/955339953.db2.gz PCUXGYDBJSJKIL-UKRRQHHQSA-N 2 0 295.402 1.743 10 0 CDAERP CC/C=C\CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001491828657 955454530 /nfs/dbraw/zinc/45/45/30/955454530.db2.gz WNHAEWXBOHKOTN-KSLSASGISA-N 2 0 293.455 1.875 10 0 CDAERP CC/C=C/CC[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001491833061 955457834 /nfs/dbraw/zinc/45/78/34/955457834.db2.gz WBJXCJVGEPWXIR-LLYBFZRZSA-N 2 0 281.444 1.733 10 0 CDAERP O=C(N1CC[C@@H](C[NH2+]CCF)C1)C12CCC[NH+](CCC1)C2 ZINC001491814194 955480115 /nfs/dbraw/zinc/48/01/15/955480115.db2.gz IGKQIRORDCAOIZ-AWEZNQCLSA-N 2 0 297.418 1.270 10 0 CDAERP Cc1nc(C)c(C[NH2+]C[C@H](C)CNC(=O)CC[NH+](C)C)o1 ZINC001421748972 955522884 /nfs/dbraw/zinc/52/28/84/955522884.db2.gz SZWUTXUUQQTCQM-NSHDSACASA-N 2 0 296.415 1.085 10 0 CDAERP CO[C@@H](C)C[NH2+]C1(CNC(=O)C[N@H+](C)C(C)C)CCCC1 ZINC001421849211 955589988 /nfs/dbraw/zinc/58/99/88/955589988.db2.gz RXXKAAJXUPXJSP-AWEZNQCLSA-N 2 0 299.459 1.380 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CCF ZINC001492031204 955619283 /nfs/dbraw/zinc/61/92/83/955619283.db2.gz JNJHMVQSKHPGJH-OLZOCXBDSA-N 2 0 273.396 1.315 10 0 CDAERP CCC1([NH2+]C[C@@H](C)OC)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001422040070 955713064 /nfs/dbraw/zinc/71/30/64/955713064.db2.gz QSSPMDIAGMNRNC-CQSZACIVSA-N 2 0 299.459 1.334 10 0 CDAERP C([C@H]1C[C@]12CCOC2)[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001365328746 955902440 /nfs/dbraw/zinc/90/24/40/955902440.db2.gz INWDCNYQVYBTMK-PBHICJAKSA-N 2 0 294.439 1.646 10 0 CDAERP [NH3+][C@@H]1CCCC[C@@H]1C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001329500213 955951581 /nfs/dbraw/zinc/95/15/81/955951581.db2.gz ZOYWIHTWGINADR-GUTXKFCHSA-N 2 0 265.401 1.106 10 0 CDAERP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]C/C(Cl)=C/Cl ZINC001422396445 955982133 /nfs/dbraw/zinc/98/21/33/955982133.db2.gz WJDKUGSRDWQHBR-VLFDAMPASA-N 2 0 296.242 1.740 10 0 CDAERP CC(C)CC[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001329613512 956022767 /nfs/dbraw/zinc/02/27/67/956022767.db2.gz OJEFYHDIZSPJTP-CQSZACIVSA-N 2 0 269.433 1.565 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001422672421 956249373 /nfs/dbraw/zinc/24/93/73/956249373.db2.gz DBQFNGLKIRKCSY-KGLIPLIRSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H](C[NH2+]CC1CC(C)C1)NC(=O)C12CC[NH+](CC1)C2 ZINC001422736920 956300927 /nfs/dbraw/zinc/30/09/27/956300927.db2.gz UWBULMMVPXOTMK-MOKVOYLWSA-N 2 0 279.428 1.223 10 0 CDAERP CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H]1C ZINC001365895525 956429607 /nfs/dbraw/zinc/42/96/07/956429607.db2.gz LUJOWGXITSJATG-QLFBSQMISA-N 2 0 283.460 1.952 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N[C@@H](C[NH2+]CC2CCC2)C2CC2)C1 ZINC001423018110 956513535 /nfs/dbraw/zinc/51/35/35/956513535.db2.gz HOZLMDFKAFEHIU-BBRMVZONSA-N 2 0 293.455 1.613 10 0 CDAERP C[C@H](F)CC[NH+]1CCC2(C[C@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001366024495 956519130 /nfs/dbraw/zinc/51/91/30/956519130.db2.gz SFHKYDHUOQIKJP-UONOGXRCSA-N 2 0 299.434 1.657 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@H](F)CC)C1 ZINC001366111703 956572612 /nfs/dbraw/zinc/57/26/12/956572612.db2.gz IMTMNDALGUREIF-TUVASFSCSA-N 2 0 299.434 1.846 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccnc2)C1 ZINC001366173498 956623067 /nfs/dbraw/zinc/62/30/67/956623067.db2.gz UPRJAQZBCYJJJU-GASCZTMLSA-N 2 0 290.411 1.160 10 0 CDAERP C[C@@H](CCC[NH2+]CCO)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001330813336 956644044 /nfs/dbraw/zinc/64/40/44/956644044.db2.gz QYNIJNRPFIUKJI-AWEZNQCLSA-N 2 0 299.459 1.118 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001423209597 956671002 /nfs/dbraw/zinc/67/10/02/956671002.db2.gz OFYCMFJCDULWBL-ZIAGYGMSSA-N 2 0 299.434 1.846 10 0 CDAERP CC[C@H](C(=O)N[C@@]12CCC[C@H]1[N@H+](CCCF)CC2)[NH+](C)C ZINC001423351407 956734871 /nfs/dbraw/zinc/73/48/71/956734871.db2.gz LAKPXBOALUQOFQ-IIAWOOMASA-N 2 0 299.434 1.799 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001494319540 972209438 /nfs/dbraw/zinc/20/94/38/972209438.db2.gz UFSYPJLUKBJOMH-UONOGXRCSA-N 2 0 267.417 1.461 10 0 CDAERP CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001423541132 956837882 /nfs/dbraw/zinc/83/78/82/956837882.db2.gz RYANJOKPDKQSBU-CABCVRRESA-N 2 0 299.459 1.020 10 0 CDAERP C[C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC1CCCC1 ZINC001366453135 956843081 /nfs/dbraw/zinc/84/30/81/956843081.db2.gz OXCGZSYAQSRSGL-UKRRQHHQSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]C/C=C\Cl ZINC001366509873 956891290 /nfs/dbraw/zinc/89/12/90/956891290.db2.gz ORISZMSSFRZPRK-BCIKPAMSSA-N 2 0 273.808 1.175 10 0 CDAERP COCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C(C)C ZINC001423636395 956912972 /nfs/dbraw/zinc/91/29/72/956912972.db2.gz GCUYRCGMIONYFA-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP CO[C@H](C)C[N@@H+]1CCC[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001423691975 956943995 /nfs/dbraw/zinc/94/39/95/956943995.db2.gz BCCFBKTWPRHTEX-GDBMZVCRSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001423701135 956950374 /nfs/dbraw/zinc/95/03/74/956950374.db2.gz JVHDHWLPUSEVKD-GDBMZVCRSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCNC(=O)C[NH+](C)CC(C)(C)C ZINC001366562524 956972813 /nfs/dbraw/zinc/97/28/13/956972813.db2.gz DEHYWJQUEJOAGW-ZDUSSCGKSA-N 2 0 289.439 1.760 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001331407731 957029410 /nfs/dbraw/zinc/02/94/10/957029410.db2.gz SZZSYHDAXRWWHO-UONOGXRCSA-N 2 0 267.417 1.483 10 0 CDAERP CCC[N@H+](CCCNC(=O)C[NH+]1CC[C@H](C)C1)C1CC1 ZINC001316922523 957124655 /nfs/dbraw/zinc/12/46/55/957124655.db2.gz BCSBUDKJGFUTDT-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001317090825 957262303 /nfs/dbraw/zinc/26/23/03/957262303.db2.gz GPOBJFYUJLKOCO-AAVRWANBSA-N 2 0 269.433 1.610 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CCC[C@H](C[NH2+]CC2CC2)C1 ZINC001317164097 957313461 /nfs/dbraw/zinc/31/34/61/957313461.db2.gz XHLDTAOECIPENQ-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCCC1CCC1 ZINC001317228788 957359244 /nfs/dbraw/zinc/35/92/44/957359244.db2.gz KLOXRXGDLIHRTF-DZGCQCFKSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H]([NH2+]Cc1nccs1)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001424815314 957369888 /nfs/dbraw/zinc/36/98/88/957369888.db2.gz GFIXDAQSTVGHGL-NEPJUHHUSA-N 2 0 298.456 1.468 10 0 CDAERP CCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001317260278 957385880 /nfs/dbraw/zinc/38/58/80/957385880.db2.gz PBIXQBCJVVORRG-KBPBESRZSA-N 2 0 269.433 1.611 10 0 CDAERP CCOCC[NH2+][C@@H]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001317363124 957437403 /nfs/dbraw/zinc/43/74/03/957437403.db2.gz JVWDQYLLVPVOTN-CABCVRRESA-N 2 0 297.443 1.136 10 0 CDAERP C[N@H+](CCCCCF)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001317470687 957499343 /nfs/dbraw/zinc/49/93/43/957499343.db2.gz WFZOTNXDUVLBIS-ZDUSSCGKSA-N 2 0 273.396 1.126 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H](C[NH2+]CC2CC2)C1 ZINC001425400772 957527253 /nfs/dbraw/zinc/52/72/53/957527253.db2.gz GWYBHVRKQKRGCB-BZUAXINKSA-N 2 0 293.455 1.755 10 0 CDAERP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]CCCC2CCC2)CC[N@@H+]1C ZINC001317589200 957585644 /nfs/dbraw/zinc/58/56/44/957585644.db2.gz NPKYPDOIQYQDQS-GDBMZVCRSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)[NH2+]CC1CCCC1 ZINC001425633228 957588103 /nfs/dbraw/zinc/58/81/03/957588103.db2.gz RLMKLTGDICYIQM-CQSZACIVSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](C)C[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001317597590 957590243 /nfs/dbraw/zinc/59/02/43/957590243.db2.gz CPMZYOKMZXSYDX-KGLIPLIRSA-N 2 0 271.449 1.667 10 0 CDAERP Cc1ccncc1C[NH2+]CCN(C)C(=O)CCC[NH+](C)C ZINC001317633638 957612428 /nfs/dbraw/zinc/61/24/28/957612428.db2.gz LTJRXIZOESQBMA-UHFFFAOYSA-N 2 0 292.427 1.280 10 0 CDAERP CCCCC[NH+]1CC(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001318163521 957950668 /nfs/dbraw/zinc/95/06/68/957950668.db2.gz BAZHPFBRNXTDBT-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCCOC)C1 ZINC001494792093 972308391 /nfs/dbraw/zinc/30/83/91/972308391.db2.gz BMCPXMHUYXOBTF-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)C[NH2+][C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C(C)C ZINC001367482204 958043237 /nfs/dbraw/zinc/04/32/37/958043237.db2.gz HLUGZUYZOATUEG-LSDHHAIUSA-N 2 0 283.460 1.715 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001367698642 958228062 /nfs/dbraw/zinc/22/80/62/958228062.db2.gz OLNQLTYVIHWJLX-ZIAGYGMSSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)C[NH2+]C/C=C\Cl ZINC001319195080 958427026 /nfs/dbraw/zinc/42/70/26/958427026.db2.gz FIPYHCSRNJJKDL-KMSCOEIWSA-N 2 0 287.835 1.565 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001367951777 958505723 /nfs/dbraw/zinc/50/57/23/958505723.db2.gz NOWJJSRQDJFFHM-STQMWFEESA-N 2 0 285.407 1.409 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CC[NH+]2CCC(C)(C)C)C1 ZINC001367986426 958549625 /nfs/dbraw/zinc/54/96/25/958549625.db2.gz SWHAPGXEJYLMLN-CABCVRRESA-N 2 0 295.471 1.955 10 0 CDAERP Cn1nc2c(c1C[NH2+]CCC1CC[NH+](C)CC1)CCC2 ZINC001334313119 959020823 /nfs/dbraw/zinc/02/08/23/959020823.db2.gz DZLWNAQRKJYBJA-UHFFFAOYSA-N 2 0 276.428 1.730 10 0 CDAERP COc1ccc(CC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)cn1 ZINC001334390561 959077607 /nfs/dbraw/zinc/07/76/07/959077607.db2.gz NLYIUTTZUXVWKP-CHWSQXEVSA-N 2 0 261.369 1.492 10 0 CDAERP CC[C@H](C(=O)NC/C=C/C[NH2+]CC1CCCC1)[NH+](C)C ZINC001321113603 959600886 /nfs/dbraw/zinc/60/08/86/959600886.db2.gz ZLICANFSTSKTKH-MVGZEHJDSA-N 2 0 281.444 1.779 10 0 CDAERP CC(C)C[NH2+]C[C@](C)(NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001495276046 972462886 /nfs/dbraw/zinc/46/28/86/972462886.db2.gz FIIAYJZOXSZYFU-PBHICJAKSA-N 2 0 295.471 1.859 10 0 CDAERP CC1CCC(C[N@@H+]2CC[C@H](NC(=O)CC[NH+](C)C)C2)CC1 ZINC001370016972 959960463 /nfs/dbraw/zinc/96/04/63/959960463.db2.gz NEWOIBUVGIDGNZ-GPANFISMSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H](CNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001370169094 960014615 /nfs/dbraw/zinc/01/46/15/960014615.db2.gz PHZRCHHTRUNIBB-ZIAGYGMSSA-N 2 0 299.434 1.703 10 0 CDAERP C[C@@H](C[NH2+]CCc1cccs1)NC(=O)C[NH+]1CCCC1 ZINC001322080489 960078148 /nfs/dbraw/zinc/07/81/48/960078148.db2.gz UKNVGKFSPNEVOD-ZDUSSCGKSA-N 2 0 295.452 1.481 10 0 CDAERP CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001323001197 960400604 /nfs/dbraw/zinc/40/06/04/960400604.db2.gz WAGYKHJAAAVWSM-CABCVRRESA-N 2 0 281.444 1.754 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1CC(C)C)C1CC1 ZINC001418764864 960996467 /nfs/dbraw/zinc/99/64/67/960996467.db2.gz YHNVCEKTNZWHFU-HNNXBMFYSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)C[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001418800265 961038663 /nfs/dbraw/zinc/03/86/63/961038663.db2.gz KQQWNHSZDCGTQW-UHFFFAOYSA-N 2 0 279.428 1.319 10 0 CDAERP CN(C(=O)CC[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001419110997 961389193 /nfs/dbraw/zinc/38/91/93/961389193.db2.gz HKBWJWLNKNIPCR-JKSUJKDBSA-N 2 0 293.455 1.804 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001437058277 962582784 /nfs/dbraw/zinc/58/27/84/962582784.db2.gz HGXFUWOTQMOVMN-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC1CCCC1 ZINC001437144076 962676895 /nfs/dbraw/zinc/67/68/95/962676895.db2.gz IKFIQDHTGXZCJW-CYBMUJFWSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H](C[NH2+]Cc1cccnc1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001420310675 962717687 /nfs/dbraw/zinc/71/76/87/962717687.db2.gz JHISLVUBYIBYAE-UKRRQHHQSA-N 2 0 290.411 1.160 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001437540643 962980228 /nfs/dbraw/zinc/98/02/28/962980228.db2.gz DRYJGRHWMZTEKN-OLZOCXBDSA-N 2 0 273.396 1.124 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC[N@@H+]2CCC(C)(C)C2)C1 ZINC001420569424 963070484 /nfs/dbraw/zinc/07/04/84/963070484.db2.gz LZVJWRRFGDSPAF-GJZGRUSLSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](F)CC[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001437677370 963115817 /nfs/dbraw/zinc/11/58/17/963115817.db2.gz HYKJVAWNFZWMHL-STQMWFEESA-N 2 0 273.396 1.267 10 0 CDAERP C[C@@H](F)CC[N@H+](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001420618188 963125598 /nfs/dbraw/zinc/12/55/98/963125598.db2.gz WYFSMKHSPAUWIW-CHWSQXEVSA-N 2 0 287.423 1.513 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+](CC[C@H](C)F)C1 ZINC001437728707 963145289 /nfs/dbraw/zinc/14/52/89/963145289.db2.gz YQHQUHIGHNLINQ-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CN(C)CCF ZINC001420638795 963148087 /nfs/dbraw/zinc/14/80/87/963148087.db2.gz ZTDXLMDYIMSRAX-KBPBESRZSA-N 2 0 287.423 1.655 10 0 CDAERP CCC[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)CC(C)C ZINC001437766829 963169652 /nfs/dbraw/zinc/16/96/52/963169652.db2.gz SMVLDUPHUHLBEP-OAHLLOKOSA-N 2 0 283.460 1.812 10 0 CDAERP CC(C)C[C@H](C[NH2+]CC1CC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001438734779 963540225 /nfs/dbraw/zinc/54/02/25/963540225.db2.gz NJAGXABEKUKXSV-HUUCEWRRSA-N 2 0 281.444 1.469 10 0 CDAERP CC(C)CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001438769151 963546005 /nfs/dbraw/zinc/54/60/05/963546005.db2.gz KCINSCOZMBRTGX-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP Cc1nocc1C[NH2+][C@@H](CNC(=O)CC[NH+](C)C)C(C)C ZINC001438827516 963563414 /nfs/dbraw/zinc/56/34/14/963563414.db2.gz ITHNNKKJECAHOC-AWEZNQCLSA-N 2 0 296.415 1.165 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001438904907 963596983 /nfs/dbraw/zinc/59/69/83/963596983.db2.gz YICNHXRYLCNENN-AWEZNQCLSA-N 2 0 283.460 1.765 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001439131606 963650434 /nfs/dbraw/zinc/65/04/34/963650434.db2.gz QSSGACMPQZUSKL-CABCVRRESA-N 2 0 283.460 1.857 10 0 CDAERP Cc1ncc(C[NH2+]C[C@@H](C)NC(=O)C[NH+]2CCCC2)s1 ZINC001439179097 963663452 /nfs/dbraw/zinc/66/34/52/963663452.db2.gz HNBDRZZTOUSUJJ-LLVKDONJSA-N 2 0 296.440 1.142 10 0 CDAERP CC(C)[C@@H](C(=O)NC[C@H]1CC[N@@H+]1CC1CC1)[NH+]1CCCC1 ZINC001439570493 963806329 /nfs/dbraw/zinc/80/63/29/963806329.db2.gz JFIQPCSPSOKHJR-CVEARBPZSA-N 2 0 293.455 1.707 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1CC[C@@H](C)F ZINC001440264695 963960230 /nfs/dbraw/zinc/96/02/30/963960230.db2.gz WETCVLMLWONZHC-KGLIPLIRSA-N 2 0 287.423 1.609 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001440305980 963979078 /nfs/dbraw/zinc/97/90/78/963979078.db2.gz PYBWFIYHVKBOHB-TUVASFSCSA-N 2 0 299.434 1.561 10 0 CDAERP Cc1oncc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001440849532 964209212 /nfs/dbraw/zinc/20/92/12/964209212.db2.gz CGRKPWPEWJZDHE-NWDGAFQWSA-N 2 0 294.399 1.062 10 0 CDAERP CCC[NH+]1CC([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001441171150 964404164 /nfs/dbraw/zinc/40/41/64/964404164.db2.gz VKJSKKXZOPQOIN-CYBMUJFWSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001441417535 964505024 /nfs/dbraw/zinc/50/50/24/964505024.db2.gz IZVNXSFKQXVTRP-SHTZXODSSA-N 2 0 281.444 1.611 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCC2)C1 ZINC001441504820 964559998 /nfs/dbraw/zinc/55/99/98/964559998.db2.gz MYNFWFOKWATDGP-GASCZTMLSA-N 2 0 281.444 1.755 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CCCC[NH+]2CC2CC2)C1 ZINC001441659208 964639230 /nfs/dbraw/zinc/63/92/30/964639230.db2.gz MJGIGPMDUVISDI-JKSUJKDBSA-N 2 0 293.455 1.709 10 0 CDAERP CC[C@H](F)C[NH2+][C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001441844072 964740699 /nfs/dbraw/zinc/74/06/99/964740699.db2.gz QLWJSASRXPNGJN-RYUDHWBXSA-N 2 0 273.396 1.313 10 0 CDAERP CC(C)C[NH2+][C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC1(C)C ZINC001441935936 964797032 /nfs/dbraw/zinc/79/70/32/964797032.db2.gz NMTGDXDETXQQNU-AWEZNQCLSA-N 2 0 283.460 1.809 10 0 CDAERP CC(C)CC[N@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)C1CC1 ZINC001443031866 965327676 /nfs/dbraw/zinc/32/76/76/965327676.db2.gz NDGHVXQUJBCXMI-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NCC[C@@H]2CC[NH+](CCF)C2)C1 ZINC001443261466 965418466 /nfs/dbraw/zinc/41/84/66/965418466.db2.gz JRXVPDOOSPJJBK-KGLIPLIRSA-N 2 0 285.407 1.126 10 0 CDAERP CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](CC[C@@H](C)F)C1)[NH+](C)C ZINC001443768319 965601158 /nfs/dbraw/zinc/60/11/58/965601158.db2.gz NOMAXWHGEXKVMM-MGPQQGTHSA-N 2 0 287.423 1.511 10 0 CDAERP CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC1CCC1 ZINC001444045679 965723488 /nfs/dbraw/zinc/72/34/88/965723488.db2.gz XURAFFYIHGGSJP-AWEZNQCLSA-N 2 0 279.428 1.367 10 0 CDAERP CC(C)[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[NH2+]CC1CC1 ZINC001444874388 965986911 /nfs/dbraw/zinc/98/69/11/965986911.db2.gz OKWSFMKGJRCDTD-JKSUJKDBSA-N 2 0 295.471 2.000 10 0 CDAERP CC[N@@H+]1CCC[C@H](CNC(=[NH2+])NCCC2CC2)C1 ZINC001348500962 966029449 /nfs/dbraw/zinc/02/94/49/966029449.db2.gz CWFMERNIVPOUJI-CYBMUJFWSA-N 2 0 252.406 1.632 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)C[NH2+]CC2CC2)C1 ZINC001445429067 966194103 /nfs/dbraw/zinc/19/41/03/966194103.db2.gz MLLGIYQXQDTHIW-HIFRSBDPSA-N 2 0 281.444 1.613 10 0 CDAERP CC[NH2+]C[C@H](C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001445605024 966252039 /nfs/dbraw/zinc/25/20/39/966252039.db2.gz JHSCEOIPDVNFPM-FZMZJTMJSA-N 2 0 273.396 1.313 10 0 CDAERP C[C@H](CN(C)C/C=C\Cl)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001445850433 966364076 /nfs/dbraw/zinc/36/40/76/966364076.db2.gz HVMBYGJKMYVQRG-FSMZVQOTSA-N 2 0 287.835 1.517 10 0 CDAERP CC[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CCOCC1 ZINC001446709643 966620848 /nfs/dbraw/zinc/62/08/48/966620848.db2.gz FZVYBCLWKAGLOI-AWEZNQCLSA-N 2 0 297.443 1.136 10 0 CDAERP CC[C@H](C)C[NH2+][C@H](C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001448669939 967200888 /nfs/dbraw/zinc/20/08/88/967200888.db2.gz WSOJJOYUQDKVRK-UONOGXRCSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@H](CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]CCF ZINC001448725178 967226968 /nfs/dbraw/zinc/22/69/68/967226968.db2.gz HRLHFUNTLVMIAD-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CCC2CC2)C[C@H]1C ZINC001449018631 967338262 /nfs/dbraw/zinc/33/82/62/967338262.db2.gz RWHJZUDULBZTIY-HIFRSBDPSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC001451094013 967894145 /nfs/dbraw/zinc/89/41/45/967894145.db2.gz YSRLHDRLCUDDGS-UONOGXRCSA-N 2 0 269.433 1.422 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N[C@@]2(C)C[NH+]3CCC2CC3)C1 ZINC001453168003 968255139 /nfs/dbraw/zinc/25/51/39/968255139.db2.gz UQAKWFNQSRXIEY-LXZKKBNFSA-N 2 0 293.455 1.707 10 0 CDAERP O=C1O[C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CN1C1CC1 ZINC000848568921 969177448 /nfs/dbraw/zinc/17/74/48/969177448.db2.gz AQHKWLOPYUWOER-KWCYVHTRSA-N 2 0 279.384 1.186 10 0 CDAERP C[N@@H+]1C[C@]23C[NH+](C[C@H]4COCCO4)C[C@@]2(C1)CCCC3 ZINC001460973572 969579447 /nfs/dbraw/zinc/57/94/47/969579447.db2.gz LDUOWYZSARBKSZ-HRCADAONSA-N 2 0 280.412 1.210 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001470388367 970323212 /nfs/dbraw/zinc/32/32/12/970323212.db2.gz LDURAJSMWPLIBH-LZWOXQAQSA-N 2 0 296.459 1.308 10 0 CDAERP C[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001361783983 970527007 /nfs/dbraw/zinc/52/70/07/970527007.db2.gz MYGKUXRJFBIDFO-CVEARBPZSA-N 2 0 295.471 1.907 10 0 CDAERP CCCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001495692482 972598716 /nfs/dbraw/zinc/59/87/16/972598716.db2.gz JMWLNVVBNDMNQA-KGLIPLIRSA-N 2 0 269.433 1.613 10 0 CDAERP CC[C@H](C(=O)NCC[C@H](C)[NH2+]CC1CCOCC1)[NH+](C)C ZINC001371869281 972662012 /nfs/dbraw/zinc/66/20/12/972662012.db2.gz MRYXNRORMJYSQE-DZGCQCFKSA-N 2 0 299.459 1.238 10 0 CDAERP C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cncs1 ZINC001371885751 972670356 /nfs/dbraw/zinc/67/03/56/972670356.db2.gz XRXUDRCLUIYGPZ-NEPJUHHUSA-N 2 0 296.440 1.079 10 0 CDAERP C[C@@H](C[NH2+]CCCF)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001496063165 972782102 /nfs/dbraw/zinc/78/21/02/972782102.db2.gz ZTSIYYBHUXYMIE-GXTWGEPZSA-N 2 0 285.407 1.124 10 0 CDAERP C[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)CCC1CCCC1 ZINC001372182137 972837084 /nfs/dbraw/zinc/83/70/84/972837084.db2.gz HYUNWMGLNLEIKI-UHFFFAOYSA-N 2 0 293.455 1.711 10 0 CDAERP CC(C)[NH2+][C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C(C)C ZINC001496604035 972985829 /nfs/dbraw/zinc/98/58/29/972985829.db2.gz XBWYVUJWCIMTED-UONOGXRCSA-N 2 0 269.433 1.467 10 0 CDAERP Cc1cc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)no1 ZINC001497153611 973215624 /nfs/dbraw/zinc/21/56/24/973215624.db2.gz GQLZIDLOMMUNCN-RISCZKNCSA-N 2 0 294.399 1.062 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+](C(C)C)C1 ZINC001417632825 973216073 /nfs/dbraw/zinc/21/60/73/973216073.db2.gz NNQGXRRFHYCVNX-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)CC[N@@H+]1CC ZINC001417825203 973403540 /nfs/dbraw/zinc/40/35/40/973403540.db2.gz YNDAELSGGNQUSN-MELADBBJSA-N 2 0 287.423 1.655 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1CC[N@@H+](C(C)C)C1 ZINC001373592252 973509433 /nfs/dbraw/zinc/50/94/33/973509433.db2.gz IXZHUJUKLJVSOS-STQMWFEESA-N 2 0 273.396 1.265 10 0 CDAERP CC[NH2+][C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001417998681 973522589 /nfs/dbraw/zinc/52/25/89/973522589.db2.gz MMCNPRHAIHYYRG-UKRRQHHQSA-N 2 0 281.444 1.755 10 0 CDAERP Cc1ccccc1C[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001418102972 973586239 /nfs/dbraw/zinc/58/62/39/973586239.db2.gz HJAVMVDQYOLPRD-IYBDPMFKSA-N 2 0 289.423 1.684 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC001418109195 973591000 /nfs/dbraw/zinc/59/10/00/973591000.db2.gz PJJCIQJWYTUYJM-ZNMIVQPWSA-N 2 0 297.443 1.134 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnc(C)o2)C1 ZINC001418108490 973592452 /nfs/dbraw/zinc/59/24/52/973592452.db2.gz IURLYUWWBHVFRO-BETUJISGSA-N 2 0 294.399 1.062 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001498060488 973654094 /nfs/dbraw/zinc/65/40/94/973654094.db2.gz KXTWUDYSZHPVFO-QJPTWQEYSA-N 2 0 261.385 1.169 10 0 CDAERP Cc1nocc1C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001418242790 973692206 /nfs/dbraw/zinc/69/22/06/973692206.db2.gz HPHXKUXLXUINDD-FZMZJTMJSA-N 2 0 294.399 1.062 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[NH+](CC)[C@@H](C)C1 ZINC001418249945 973693809 /nfs/dbraw/zinc/69/38/09/973693809.db2.gz FYYKOAMKZXWJGV-ZNMIVQPWSA-N 2 0 281.444 1.802 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001418297513 973735138 /nfs/dbraw/zinc/73/51/38/973735138.db2.gz GECIRYSQZIIDAO-ZIAGYGMSSA-N 2 0 299.459 1.238 10 0 CDAERP CC[C@H](C(=O)N1CC[C@@H](C[NH2+]C(C)C)C1)[NH+](CC)CC ZINC001418363818 973767461 /nfs/dbraw/zinc/76/74/61/973767461.db2.gz VMVOIYTWPNERJY-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]C/C=C\Cl ZINC001418433638 973822944 /nfs/dbraw/zinc/82/29/44/973822944.db2.gz SJYKKTYAMAHPJA-TXNVCOODSA-N 2 0 273.808 1.319 10 0 CDAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]C[C@@H](C)O ZINC001498621128 974001001 /nfs/dbraw/zinc/00/10/01/974001001.db2.gz KVFXFGZMKBCLCB-HUUCEWRRSA-N 2 0 299.459 1.068 10 0 CDAERP CC[NH2+]CCCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001498622523 974001540 /nfs/dbraw/zinc/00/15/40/974001540.db2.gz WDNACELXYZVQGZ-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001499120690 974190422 /nfs/dbraw/zinc/19/04/22/974190422.db2.gz SQOMNQYREBMWQN-ZYDHHDLOSA-N 2 0 279.428 1.485 10 0 CDAERP CC1CC(C[NH2+]C2(CNC(=O)C[NH+]3CCCC3)CC2)C1 ZINC001499448881 974256289 /nfs/dbraw/zinc/25/62/89/974256289.db2.gz WBWSARBITXSRDR-UHFFFAOYSA-N 2 0 279.428 1.367 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CC[C@@]2(CC[N@H+](CCF)C2)C1 ZINC001499617149 974275408 /nfs/dbraw/zinc/27/54/08/974275408.db2.gz XHDLVAQOZIIQPL-MRXNPFEDSA-N 2 0 299.434 1.612 10 0 CDAERP C[C@@H](C[N@H+](C)CCC(C)(C)C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001375153602 974277322 /nfs/dbraw/zinc/27/73/22/974277322.db2.gz GIURVOYIYSBRGZ-UONOGXRCSA-N 2 0 283.460 1.811 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CCC[C@H]1C[NH2+]CC1CC1 ZINC001499900493 974329395 /nfs/dbraw/zinc/32/93/95/974329395.db2.gz DXNOIXCXTHWSFF-LSDHHAIUSA-N 2 0 299.434 1.657 10 0 CDAERP CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1CC1CC(C)(C)C1)[NH+](C)C ZINC001375364608 974352026 /nfs/dbraw/zinc/35/20/26/974352026.db2.gz QELQJQLHJMUTGQ-GJZGRUSLSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)OCCC[N@@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001500256104 974410204 /nfs/dbraw/zinc/41/02/04/974410204.db2.gz AESBVKFXPDYKAR-INIZCTEOSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N1CCCCC[C@@H]([NH2+]C[C@H](C)O)C1 ZINC001375651602 974444371 /nfs/dbraw/zinc/44/43/71/974444371.db2.gz PDOLKZHPHBYVGL-LSDHHAIUSA-N 2 0 299.459 1.068 10 0 CDAERP C[NH+](C)CCC(=O)N1CCCC[C@@H]1C[NH2+]C/C=C/Cl ZINC001501889082 974653474 /nfs/dbraw/zinc/65/34/74/974653474.db2.gz PLTWNALPKWPNAT-OQHXTRMZSA-N 2 0 287.835 1.661 10 0 CDAERP CC[C@H](F)C[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)CC)C[C@H]2C1 ZINC001376418460 974655810 /nfs/dbraw/zinc/65/58/10/974655810.db2.gz PRJUZSLEMCEMKS-ZNMIVQPWSA-N 2 0 299.434 1.467 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCF ZINC001376520301 974679703 /nfs/dbraw/zinc/67/97/03/974679703.db2.gz VMWNGCDLCZAVAC-KGLIPLIRSA-N 2 0 285.407 1.363 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001376568738 974688217 /nfs/dbraw/zinc/68/82/17/974688217.db2.gz JNUOARHHLDIPRE-HUUCEWRRSA-N 2 0 299.434 1.659 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1cccc(C)c1)[NH+](C)C ZINC001376763956 974760862 /nfs/dbraw/zinc/76/08/62/974760862.db2.gz NXQUQPIOFKBESH-GDBMZVCRSA-N 2 0 291.439 1.930 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001502987753 974807022 /nfs/dbraw/zinc/80/70/22/974807022.db2.gz MTDKGXRICJJYHW-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)=CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001505848220 975000655 /nfs/dbraw/zinc/00/06/55/975000655.db2.gz MWSWITCMXPVCHL-HNNXBMFYSA-N 2 0 295.471 1.979 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+](C/C=C\Cl)C1 ZINC001377452934 975033313 /nfs/dbraw/zinc/03/33/13/975033313.db2.gz NJSCCLHFTZHKSP-RYBZSIHZSA-N 2 0 273.808 1.129 10 0 CDAERP CC(C)CCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001506057256 975101271 /nfs/dbraw/zinc/10/12/71/975101271.db2.gz XZKINUIZISTIOY-GJZGRUSLSA-N 2 0 283.460 1.811 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCCCC[NH+]2CCF)C1 ZINC001506577930 975181582 /nfs/dbraw/zinc/18/15/82/975181582.db2.gz DPWWFSGXRJROJU-CABCVRRESA-N 2 0 299.434 1.659 10 0 CDAERP CCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](CCCF)C1 ZINC001378197967 975281226 /nfs/dbraw/zinc/28/12/26/975281226.db2.gz OGHCIIGXOYMKSK-ZDUSSCGKSA-N 2 0 273.396 1.221 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccns1 ZINC001378251986 975308630 /nfs/dbraw/zinc/30/86/30/975308630.db2.gz PQVAXAMXLYCSIY-AAEUAGOBSA-N 2 0 296.440 1.222 10 0 CDAERP COCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001507096744 975334799 /nfs/dbraw/zinc/33/47/99/975334799.db2.gz ZPDRYFBMGNKUOV-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCCCCF ZINC001507156407 975357631 /nfs/dbraw/zinc/35/76/31/975357631.db2.gz XWPAEWPKBSGDHT-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP Cc1cncn1CC(=O)NC[C@H](C)C[NH2+]CC1CCCC1 ZINC001378592537 975408885 /nfs/dbraw/zinc/40/88/85/975408885.db2.gz RTTITYZWCYUUFB-CYBMUJFWSA-N 2 0 292.427 1.724 10 0 CDAERP Cc1nc(C[NH2+]C[C@@H](C)CNC(=O)CC[NH+](C)C)c(C)o1 ZINC001378602388 975412118 /nfs/dbraw/zinc/41/21/18/975412118.db2.gz PBFXHLJPUCEWFF-LLVKDONJSA-N 2 0 296.415 1.085 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N[C@](C)(C[NH2+]CC2CCC2)C2CC2)C1 ZINC001401024505 975437139 /nfs/dbraw/zinc/43/71/39/975437139.db2.gz RUHIUWSPPZONSZ-WMLDXEAASA-N 2 0 293.455 1.613 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001404647228 975448404 /nfs/dbraw/zinc/44/84/04/975448404.db2.gz DKYSWQNLJGAIPD-ILXRZTDVSA-N 2 0 283.460 1.953 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@]2(C)C[N@H+](CC3CC3)C[C@]2(C)C1 ZINC001378806905 975498595 /nfs/dbraw/zinc/49/85/95/975498595.db2.gz YYABRVKWZRGQEJ-CALCHBBNSA-N 2 0 293.455 1.519 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001378878718 975527878 /nfs/dbraw/zinc/52/78/78/975527878.db2.gz RHHSJLRWNSIVBJ-KKUMJFAQSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1CCCF ZINC001388663525 975540564 /nfs/dbraw/zinc/54/05/64/975540564.db2.gz BBEVRZNBHXWUPZ-ZDUSSCGKSA-N 2 0 273.396 1.219 10 0 CDAERP CC(C)[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001378962629 975567528 /nfs/dbraw/zinc/56/75/28/975567528.db2.gz BUENHILDDDGNAG-GJZGRUSLSA-N 2 0 283.460 1.998 10 0 CDAERP CC(C)[C@H](CNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH2+]CC1CC1 ZINC001401344706 975596822 /nfs/dbraw/zinc/59/68/22/975596822.db2.gz WETZYVIGUKLVMS-RDJZCZTQSA-N 2 0 293.455 1.613 10 0 CDAERP CC(C)C[N@H+](C)CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001401366634 975623580 /nfs/dbraw/zinc/62/35/80/975623580.db2.gz UCXKUQAVKAYFHR-OAHLLOKOSA-N 2 0 281.444 1.374 10 0 CDAERP CC[N@H+]1CC=C(CNC(=O)CCCC[NH+](C)C)CC1 ZINC001508231404 975642253 /nfs/dbraw/zinc/64/22/53/975642253.db2.gz ZKRNOWKLYUANDT-UHFFFAOYSA-N 2 0 267.417 1.487 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C ZINC001397791702 975721046 /nfs/dbraw/zinc/72/10/46/975721046.db2.gz HAQLVXRWIHTAEA-KFWWJZLASA-N 2 0 283.460 1.952 10 0 CDAERP C[C@@H](C[NH2+]CC1CCCC1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001405816883 975891575 /nfs/dbraw/zinc/89/15/75/975891575.db2.gz RMKWEAFZXSLVSU-SQWLQELKSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001379590109 975939191 /nfs/dbraw/zinc/93/91/91/975939191.db2.gz DUQQTXIUDUYYAM-ZBFHGGJFSA-N 2 0 295.471 1.953 10 0 CDAERP CCC(CC)C[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001398553373 976038952 /nfs/dbraw/zinc/03/89/52/976038952.db2.gz BFUZMFLBIDXTMK-SHTZXODSSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001398615244 976075462 /nfs/dbraw/zinc/07/54/62/976075462.db2.gz AHRQWTJOPPVTKU-MCIONIFRSA-N 2 0 299.434 1.846 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC[C@@H](C)F)C1)[NH+](C)C ZINC001398620799 976077512 /nfs/dbraw/zinc/07/75/12/976077512.db2.gz JIEQNVQTMVWJPR-YIYPIFLZSA-N 2 0 287.423 1.558 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@H]1CCC[N@H+](CC2CCC2)C1 ZINC001390204717 976170219 /nfs/dbraw/zinc/17/02/19/976170219.db2.gz WGDBWGVSPLTWFQ-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001380000801 976174254 /nfs/dbraw/zinc/17/42/54/976174254.db2.gz DCOGOYLDTLKLOM-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001380396634 976408729 /nfs/dbraw/zinc/40/87/29/976408729.db2.gz MHBWJEQLKWMRAS-FMKPAKJESA-N 2 0 281.444 1.563 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001402635238 976414497 /nfs/dbraw/zinc/41/44/97/976414497.db2.gz UVOKRJYMUWSKGK-UPJWGTAASA-N 2 0 283.391 1.067 10 0 CDAERP CC[N@@H+]1Cc2ccc(CNC(=O)C[NH+]3CCCC3)cc2C1 ZINC001402748112 976467321 /nfs/dbraw/zinc/46/73/21/976467321.db2.gz IWDBBYCZEXOHKO-UHFFFAOYSA-N 2 0 287.407 1.734 10 0 CDAERP CC(C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001406971176 976497658 /nfs/dbraw/zinc/49/76/58/976497658.db2.gz DFMCZNLERGRWSV-CABCVRRESA-N 2 0 293.455 1.898 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001380692127 976518486 /nfs/dbraw/zinc/51/84/86/976518486.db2.gz SWOFDQIPCBNMIP-GJZGRUSLSA-N 2 0 281.444 1.422 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CC1CC(C)(C)C1 ZINC001390859007 976562809 /nfs/dbraw/zinc/56/28/09/976562809.db2.gz IJRRKZOOKMAAHO-AWEZNQCLSA-N 2 0 281.444 1.422 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)CC1CC1 ZINC001390978301 976631776 /nfs/dbraw/zinc/63/17/76/976631776.db2.gz GWULQWCQYLKZBD-HZPDHXFCSA-N 2 0 293.455 1.851 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cccnc1 ZINC001403012635 976662137 /nfs/dbraw/zinc/66/21/37/976662137.db2.gz NFULESNWSLNTFQ-KGLIPLIRSA-N 2 0 292.427 1.406 10 0 CDAERP COC[C@H](C)[NH2+][C@@H](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001381202320 976717762 /nfs/dbraw/zinc/71/77/62/976717762.db2.gz ZUZUPYIBCASPMB-KBPBESRZSA-N 2 0 299.459 1.380 10 0 CDAERP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@H]([NH2+]C/C=C\Cl)C1 ZINC001403160090 976771979 /nfs/dbraw/zinc/77/19/79/976771979.db2.gz AFYZZRLVIQPEGL-AXNXICKKSA-N 2 0 297.830 1.271 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001403274878 976847057 /nfs/dbraw/zinc/84/70/57/976847057.db2.gz PDVPFXKCLNDUCG-HUUCEWRRSA-N 2 0 293.455 1.566 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001403456477 976962601 /nfs/dbraw/zinc/96/26/01/976962601.db2.gz UBMPJACRSHXPKJ-KBUPBQIOSA-N 2 0 281.444 1.469 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CC2CC2)CC1(C)C ZINC001381868385 977061467 /nfs/dbraw/zinc/06/14/67/977061467.db2.gz FNCSEIPWCOHWHM-CQSZACIVSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)CC[NH+]1CC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001392025443 977185016 /nfs/dbraw/zinc/18/50/16/977185016.db2.gz GJKBFHFNIIYYPH-UHFFFAOYSA-N 2 0 295.471 1.909 10 0 CDAERP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(F)cc1 ZINC001400862039 977229882 /nfs/dbraw/zinc/22/98/82/977229882.db2.gz SVFVNHQZEGXJEA-HNNXBMFYSA-N 2 0 295.402 1.762 10 0 CDAERP CC(C)[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CCF ZINC001392237471 977275099 /nfs/dbraw/zinc/27/50/99/977275099.db2.gz RGVKPCSSWFYHNM-OLZOCXBDSA-N 2 0 273.396 1.028 10 0 CDAERP C[C@H](NC(=O)CCC[NH+](C)C)C1CC[NH+](CCF)CC1 ZINC001382557716 977307598 /nfs/dbraw/zinc/30/75/98/977307598.db2.gz ANDKKXWTUNISBY-ZDUSSCGKSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001392316632 977405611 /nfs/dbraw/zinc/40/56/11/977405611.db2.gz CDDHHNKVLOEFML-ZDUSSCGKSA-N 2 0 285.407 1.221 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001392985201 977666678 /nfs/dbraw/zinc/66/66/78/977666678.db2.gz BPRLOOOHFCMXRC-MRXNPFEDSA-N 2 0 281.444 1.661 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N[C@@]2(C)CC[NH+](CC3CCC3)C2)C1 ZINC001393118561 977708971 /nfs/dbraw/zinc/70/89/71/977708971.db2.gz LHEVMOHWRQZMIS-WBVHZDCISA-N 2 0 293.455 1.709 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@@]2(C)CC[NH+](CC3CCC3)C2)C1 ZINC001393119953 977713364 /nfs/dbraw/zinc/71/33/64/977713364.db2.gz WMMYQHTZXRWLKK-PBHICJAKSA-N 2 0 293.455 1.709 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@@H]1[C@H]2C[NH+](CC[C@H](C)F)C[C@H]21 ZINC001394323144 978133996 /nfs/dbraw/zinc/13/39/96/978133996.db2.gz PAPHCCIWJUXXPN-ZQDZILKHSA-N 2 0 299.434 1.370 10 0 CDAERP CC/C=C/CC[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001675042776 1174066477 /nfs/dbraw/zinc/06/64/77/1174066477.db2.gz PBUFTFOEKSNMEM-LLYBFZRZSA-N 2 0 281.444 1.875 10 0 CDAERP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H](C[NH2+]CCC1CC1)C1CC1 ZINC001571357625 1170383561 /nfs/dbraw/zinc/38/35/61/1170383561.db2.gz OTEGJASQZLUGFV-CVEARBPZSA-N 2 0 293.455 1.707 10 0 CDAERP CN(C(=O)[C@@]12CC[N@H+](C1)CCC2)C1CC([NH2+]CCCF)C1 ZINC001571665320 1170515323 /nfs/dbraw/zinc/51/53/23/1170515323.db2.gz RREZRVRXNCKBDL-XUJLQICISA-N 2 0 297.418 1.411 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000618560763 349485404 /nfs/dbraw/zinc/48/54/04/349485404.db2.gz NDPKIKHMINKLDO-CQSZACIVSA-N 2 0 294.443 1.350 10 0 CDAERP C[NH+](C)C1(CNC(=O)N[C@H]2CCC[N@H+](C)C2)CCCC1 ZINC000618548183 349479072 /nfs/dbraw/zinc/47/90/72/349479072.db2.gz SSGUYSCMHRRUSW-ZDUSSCGKSA-N 2 0 282.432 1.254 10 0 CDAERP CC(C)(C)[NH2+]C[C@H](O)CO[C@@H]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000675080465 539085911 /nfs/dbraw/zinc/08/59/11/539085911.db2.gz QTBNQZIQLGWSGZ-FQUUOJAGSA-N 2 0 270.417 1.283 10 0 CDAERP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000650743601 398171784 /nfs/dbraw/zinc/17/17/84/398171784.db2.gz XGXSOROSDRPTPI-ZDEQEGDKSA-N 2 0 253.390 1.151 10 0 CDAERP C[NH2+]Cc1ccccc1C[NH2+][C@H](C1CC1)[C@H]1CNCCO1 ZINC000650756137 398179145 /nfs/dbraw/zinc/17/91/45/398179145.db2.gz VHWCWZZCZVWAIS-IAGOWNOFSA-N 2 0 289.423 1.263 10 0 CDAERP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)C(C)(C)n1cncn1 ZINC000650757286 398181044 /nfs/dbraw/zinc/18/10/44/398181044.db2.gz TXCOMGUYGSEWDD-CYBMUJFWSA-N 2 0 287.411 1.911 10 0 CDAERP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000650757846 398181147 /nfs/dbraw/zinc/18/11/47/398181147.db2.gz CAFXFESRPHZYIG-DYVFJYSZSA-N 2 0 273.424 1.978 10 0 CDAERP C(CN1CC[C@H](C[NH+]2CCCCC2)C1)OC1CCOCC1 ZINC000625189106 342039158 /nfs/dbraw/zinc/03/91/58/342039158.db2.gz FCKVZMWUNOGZMJ-MRXNPFEDSA-N 2 0 296.455 1.990 10 0 CDAERP CCO[C@H](C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21)C1CC1 ZINC000625262105 342059937 /nfs/dbraw/zinc/05/99/37/342059937.db2.gz COYIFIDAHFANHS-YLFCFFPRSA-N 2 0 296.455 1.985 10 0 CDAERP CC[C@H]1CN(c2cc[nH+]c(C)c2)CC[N@@H+]1CCOC ZINC000274348250 365631116 /nfs/dbraw/zinc/63/11/16/365631116.db2.gz JXTHWNYCDRXYQX-AWEZNQCLSA-N 2 0 263.385 1.937 10 0 CDAERP C[NH+](C)CCSCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000339742050 361823037 /nfs/dbraw/zinc/82/30/37/361823037.db2.gz YNIURMPQALAKFX-UHFFFAOYSA-N 2 0 285.457 1.024 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000591455297 342633181 /nfs/dbraw/zinc/63/31/81/342633181.db2.gz QZKXNVVMEPFKKL-NSHDSACASA-N 2 0 271.324 1.158 10 0 CDAERP c1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]CCCN3CC2)cc1 ZINC000096897780 185125463 /nfs/dbraw/zinc/12/54/63/185125463.db2.gz LJIYATLKZIFKJI-MRXNPFEDSA-N 2 0 259.397 1.556 10 0 CDAERP CCOC[C@]1(C(F)(F)F)CC[N@H+](CCC[NH3+])C1 ZINC000409436190 342169453 /nfs/dbraw/zinc/16/94/53/342169453.db2.gz YNQYVDQNQLRWEK-JTQLQIEISA-N 2 0 254.296 1.626 10 0 CDAERP [NH3+]C1(CNC/C=C/c2ccc(F)cc2)CCOCC1 ZINC000629388638 361893534 /nfs/dbraw/zinc/89/35/34/361893534.db2.gz QWFBINRLBNUPEH-OWOJBTEDSA-N 2 0 264.344 1.936 10 0 CDAERP COC(=O)[C@@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)C[C@H]1C1CC1 ZINC000593316217 342787952 /nfs/dbraw/zinc/78/79/52/342787952.db2.gz BCUHXQFCOVCTFX-GUTXKFCHSA-N 2 0 266.385 1.117 10 0 CDAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1N[C@@H]1CC[NH2+][C@H]1C ZINC000629408043 361961074 /nfs/dbraw/zinc/96/10/74/361961074.db2.gz PCRUEZYIJGPMBO-YALNPMBYSA-N 2 0 273.424 1.847 10 0 CDAERP COCC[N@@H+]1CCC[C@@H]1CN[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000339072231 539067282 /nfs/dbraw/zinc/06/72/82/539067282.db2.gz UVJBJBFIFGDZDG-HRCADAONSA-N 2 0 281.444 1.314 10 0 CDAERP CC[C@](C)(C[NH3+])[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000669377020 539072001 /nfs/dbraw/zinc/07/20/01/539072001.db2.gz DNOOZBYDVMAGFX-CVEARBPZSA-N 2 0 262.397 1.998 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000594292749 342888137 /nfs/dbraw/zinc/88/81/37/342888137.db2.gz DUJHFBSRSOOJEH-GJZGRUSLSA-N 2 0 294.443 1.350 10 0 CDAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCOCc3ccccc3)C[C@H]12 ZINC000309761321 539079715 /nfs/dbraw/zinc/07/97/15/539079715.db2.gz DQLUJEQPTYESQC-OWCLPIDISA-N 2 0 260.381 1.872 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000358195354 539109125 /nfs/dbraw/zinc/10/91/25/539109125.db2.gz LTFQCXQXMFSJHM-OAHLLOKOSA-N 2 0 296.459 1.668 10 0 CDAERP CC(C)[C@H]1CC[C@@H]1[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000353503736 539098052 /nfs/dbraw/zinc/09/80/52/539098052.db2.gz PDOHSJKHLSXFHY-KFWWJZLASA-N 2 0 253.434 1.647 10 0 CDAERP CCOC(=O)C1([C@H](C)[NH2+]CC2(COC)CC2)CC[NH2+]CC1 ZINC000594585132 342921481 /nfs/dbraw/zinc/92/14/81/342921481.db2.gz NWHRCIZTCUEXOU-ZDUSSCGKSA-N 2 0 298.427 1.324 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CC[NH+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000626012653 342288752 /nfs/dbraw/zinc/28/87/52/342288752.db2.gz AXIBYHCKRUCPAG-ARFHVFGLSA-N 2 0 266.429 1.955 10 0 CDAERP C[N@H+](Cc1ccc(-n2ccnc2)cc1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626038576 342292424 /nfs/dbraw/zinc/29/24/24/342292424.db2.gz RYVAOVUUPRLPIR-OTVXOJSOSA-N 2 0 284.363 1.568 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000594926628 342973555 /nfs/dbraw/zinc/97/35/55/342973555.db2.gz UUFBLEQYRUBLTE-LXTVHRRPSA-N 2 0 282.428 1.896 10 0 CDAERP CSCC[C@H](C)[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000595886780 343180671 /nfs/dbraw/zinc/18/06/71/343180671.db2.gz YTYIBGIFHHYEOG-RYUDHWBXSA-N 2 0 258.431 1.581 10 0 CDAERP [NH3+]C1(C[NH2+]C2CCC(C(F)F)CC2)CCOCC1 ZINC000629522257 362141831 /nfs/dbraw/zinc/14/18/31/362141831.db2.gz YVGNWAILHLCFOF-UHFFFAOYSA-N 2 0 262.344 1.908 10 0 CDAERP Nc1nc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c2c([nH+]1)CCCC2 ZINC000645127151 362136448 /nfs/dbraw/zinc/13/64/48/362136448.db2.gz HIJBLSZTWJULJR-RYUDHWBXSA-N 2 0 287.411 1.229 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNc2nc(N)[nH+]c3c2CCCC3)C1 ZINC000645140232 362155981 /nfs/dbraw/zinc/15/59/81/362155981.db2.gz QUICNVYQJZCPGJ-GFCCVEGCSA-N 2 0 289.427 1.332 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](c1cccnc1)C(C)C ZINC000629529975 362161576 /nfs/dbraw/zinc/16/15/76/362161576.db2.gz RVJVASVTSXIRGQ-AWEZNQCLSA-N 2 0 251.374 1.604 10 0 CDAERP [NH3+]CC[C@H]1CCCC[N@@H+]1CCOC1CCOCC1 ZINC000629531799 362163165 /nfs/dbraw/zinc/16/31/65/362163165.db2.gz YISRCBOACROPGB-CYBMUJFWSA-N 2 0 256.390 1.385 10 0 CDAERP Cc1cccn2c(C[NH2+]CC[C@@H](O)C(F)F)cnc12 ZINC000631216354 362171880 /nfs/dbraw/zinc/17/18/80/362171880.db2.gz INIWCIKCPVLGKT-LLVKDONJSA-N 2 0 269.295 1.748 10 0 CDAERP FC1(F)CC[C@H](C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000311699876 362175424 /nfs/dbraw/zinc/17/54/24/362175424.db2.gz QDAZSPYSYURATH-STQMWFEESA-N 2 0 273.371 1.401 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)[C@@H](C)O1 ZINC000631218527 362203029 /nfs/dbraw/zinc/20/30/29/362203029.db2.gz MXOINTACESCCNM-JMSVASOKSA-N 2 0 272.352 1.923 10 0 CDAERP O=C(N[C@@H]1CC12CC[NH2+]CC2)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000368648838 295710936 /nfs/dbraw/zinc/71/09/36/295710936.db2.gz XYURECBZJPSAPT-RFQIPJPRSA-N 2 0 277.412 1.165 10 0 CDAERP COC(=O)C(C)(C)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000598970110 343931486 /nfs/dbraw/zinc/93/14/86/343931486.db2.gz XUFDDDQAZHIZIZ-LLVKDONJSA-N 2 0 256.390 1.648 10 0 CDAERP C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000246574463 343964037 /nfs/dbraw/zinc/96/40/37/343964037.db2.gz VEIJLMMIXRLWBY-ILXRZTDVSA-N 2 0 281.444 1.742 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)NCC1CC[NH2+]CC1 ZINC000257661080 344370044 /nfs/dbraw/zinc/37/00/44/344370044.db2.gz DHLHOHDCZIPAMY-CQSZACIVSA-N 2 0 267.417 1.367 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000257654432 344370055 /nfs/dbraw/zinc/37/00/55/344370055.db2.gz CBAGZINCJXZBRL-OLZOCXBDSA-N 2 0 253.390 1.119 10 0 CDAERP CC(=O)[C@](C)(O)C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640533167 362403583 /nfs/dbraw/zinc/40/35/83/362403583.db2.gz DQNSOOFJJCLXCQ-OAHLLOKOSA-N 2 0 270.417 1.524 10 0 CDAERP O=C(NC[C@H]1CCCC[NH+]1Cc1ccccc1)C1C[NH2+]C1 ZINC000263276034 362433043 /nfs/dbraw/zinc/43/30/43/362433043.db2.gz IUNJYEFGVZYYNN-MRXNPFEDSA-N 2 0 287.407 1.377 10 0 CDAERP CC(C)(C)OC(=O)N[C@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC000253577557 362440065 /nfs/dbraw/zinc/44/00/65/362440065.db2.gz XEWWLMCXBOZEOK-LBPRGKRZSA-N 2 0 283.416 1.728 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000623066320 344643798 /nfs/dbraw/zinc/64/37/98/344643798.db2.gz DSQHCPAFYTZZJC-QWRGUYRKSA-N 2 0 264.373 1.605 10 0 CDAERP C[C@@H](Cn1ccnc1)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623356515 346084039 /nfs/dbraw/zinc/08/40/39/346084039.db2.gz VABDFNNTSHFKDY-STQMWFEESA-N 2 0 250.390 1.734 10 0 CDAERP CCOC1CC[NH+](CC[C@@](C)(CO)[NH2+]C(C)C)CC1 ZINC000085241376 178981690 /nfs/dbraw/zinc/98/16/90/178981690.db2.gz MXOAKIRHOUQGKN-HNNXBMFYSA-N 2 0 272.433 1.626 10 0 CDAERP Cc1cc(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)ccn1 ZINC000623416156 346266395 /nfs/dbraw/zinc/26/63/95/346266395.db2.gz LLQIVAMALOVTGN-INIZCTEOSA-N 2 0 288.439 1.648 10 0 CDAERP c1cnn(CC[N@@H+]2CCC[NH2+]C3(CCCCC3)C2)c1 ZINC000085610481 179101151 /nfs/dbraw/zinc/10/11/51/179101151.db2.gz KFYJXQXADLPJAB-UHFFFAOYSA-N 2 0 262.401 1.881 10 0 CDAERP CCC[C@H]1C[N@H+](CCCn2ccnc2)CCC[NH2+]1 ZINC000085611864 179102269 /nfs/dbraw/zinc/10/22/69/179102269.db2.gz APGKJIIFQIRKIC-AWEZNQCLSA-N 2 0 250.390 1.737 10 0 CDAERP COc1cc(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)on1 ZINC000641797430 365866202 /nfs/dbraw/zinc/86/62/02/365866202.db2.gz CHCCWHODHXCGEF-AAEUAGOBSA-N 2 0 265.357 1.647 10 0 CDAERP CC[NH2+][C@@H](CCO)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000085922829 179201357 /nfs/dbraw/zinc/20/13/57/179201357.db2.gz IPHJLZOZXOISHF-INIZCTEOSA-N 2 0 283.460 1.155 10 0 CDAERP CCC[NH2+][C@H](CCO)CN1CC[NH+]([C@H](C)CC)CC1 ZINC000085922718 179201580 /nfs/dbraw/zinc/20/15/80/179201580.db2.gz GXEHANPOPUENPC-HUUCEWRRSA-N 2 0 271.449 1.153 10 0 CDAERP C[C@]1(NC(=O)NCC2([NH3+])CCCCCC2)CC[NH2+]C1 ZINC000612911576 347323957 /nfs/dbraw/zinc/32/39/57/347323957.db2.gz MEKNTCFDCRFWJN-ZDUSSCGKSA-N 2 0 268.405 1.089 10 0 CDAERP CC[NH+]1CCC(N(C)[C@](CC)(C[NH3+])C2CC2)CC1 ZINC000086120472 179235041 /nfs/dbraw/zinc/23/50/41/179235041.db2.gz BPCWWMGOPPEXFS-OAHLLOKOSA-N 2 0 253.434 1.920 10 0 CDAERP C[N@@H+]1CCC[C@@H](CN2CC[NH2+]C3(CCCC3)C2)C1 ZINC000086145744 179238347 /nfs/dbraw/zinc/23/83/47/179238347.db2.gz UZWUNQBVVUBHBI-CQSZACIVSA-N 2 0 251.418 1.546 10 0 CDAERP CC(C)[C@@H]1C[NH2+][C@@H](C)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086173858 179243972 /nfs/dbraw/zinc/24/39/72/179243972.db2.gz IHCBVJMAVOBRKN-CFVMTHIKSA-N 2 0 251.418 1.541 10 0 CDAERP CC(C)C[C@@H]1CN([C@@H]2C[NH+]3CCC2CC3)[C@@H](C)C[NH2+]1 ZINC000086182637 179247733 /nfs/dbraw/zinc/24/77/33/179247733.db2.gz CSGJZJVJOJXRPE-NUEKZKHPSA-N 2 0 265.445 1.789 10 0 CDAERP CC[C@H]1C[NH2+][C@@H](C2CC2)CN1C[C@@H]1CCCC[N@@H+]1C ZINC000086259338 179258058 /nfs/dbraw/zinc/25/80/58/179258058.db2.gz RTMPJYOBKDSZTN-HRCADAONSA-N 2 0 265.445 1.933 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2CCO)CC1(C)C ZINC000623497252 347604797 /nfs/dbraw/zinc/60/47/97/347604797.db2.gz CGKDSEPPIQJWKW-MELADBBJSA-N 2 0 254.418 2.000 10 0 CDAERP C[C@H]1CN[C@](C)(C2CC2)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086259005 179256992 /nfs/dbraw/zinc/25/69/92/179256992.db2.gz CMSNRXYGKWQOCK-BBRMVZONSA-N 2 0 265.445 1.791 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCC23CCC[NH+]2CCC3)CC[N@@H+]1C ZINC000614225374 348044722 /nfs/dbraw/zinc/04/47/22/348044722.db2.gz NRTAQOPXQVGQAL-KBPBESRZSA-N 2 0 279.428 1.461 10 0 CDAERP C[C@@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000042244432 348720708 /nfs/dbraw/zinc/72/07/08/348720708.db2.gz KQFYBOBRXRDURU-CYBMUJFWSA-N 2 0 279.428 1.461 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333143371 362943656 /nfs/dbraw/zinc/94/36/56/362943656.db2.gz DHNZTVDSGMAJBY-HUUCEWRRSA-N 2 0 296.459 1.548 10 0 CDAERP CC[NH2+][C@@H](C)C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000104421719 185996293 /nfs/dbraw/zinc/99/62/93/185996293.db2.gz RQFHCZFUGHRXSI-CFVMTHIKSA-N 2 0 254.418 2.000 10 0 CDAERP CC1(C)[C@H]([NH2+]CCOCCC[NH3+])[C@H]2CCCO[C@@H]21 ZINC000629534906 362959786 /nfs/dbraw/zinc/95/97/86/362959786.db2.gz BCDOECAUBVDOLO-UPJWGTAASA-N 2 0 256.390 1.145 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]([NH3+])C(C)(C)C)CC[N@@H+]1C ZINC000237465799 297257942 /nfs/dbraw/zinc/25/79/42/297257942.db2.gz BHDWIVPTNXKBKP-GRYCIOLGSA-N 2 0 255.406 1.301 10 0 CDAERP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621698904 350728346 /nfs/dbraw/zinc/72/83/46/350728346.db2.gz ILOZLZBXKUPLCQ-NHYWBVRUSA-N 2 0 274.368 1.101 10 0 CDAERP CCn1nccc1CC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000621775667 350771940 /nfs/dbraw/zinc/77/19/40/350771940.db2.gz WCWPBNBSPIJVJB-AEGPPILISA-N 2 0 262.401 1.505 10 0 CDAERP CC[C@H]1C[N@H+](CCc2ccnn2CC)CC[C@@H]1[NH3+] ZINC000621775297 350772299 /nfs/dbraw/zinc/77/22/99/350772299.db2.gz LBQZFXDBZDNKPC-JSGCOSHPSA-N 2 0 250.390 1.505 10 0 CDAERP O[C@H](C[NH2+][C@H]1CCOC2(CCCC2)C1)C[NH+]1CCCC1 ZINC000629572279 363026777 /nfs/dbraw/zinc/02/67/77/363026777.db2.gz YTDIXXMLVFIQKD-LSDHHAIUSA-N 2 0 282.428 1.525 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)C[C@@H](OC)C1CCCC1 ZINC000629572473 363027687 /nfs/dbraw/zinc/02/76/87/363027687.db2.gz UJHSUOPOERCYOQ-CQSZACIVSA-N 2 0 258.406 1.359 10 0 CDAERP CCc1ccccc1C[N@H+](C)CCOCC[NH2+]C ZINC000629572454 363027742 /nfs/dbraw/zinc/02/77/42/363027742.db2.gz TVYMOJYCXJFULT-UHFFFAOYSA-N 2 0 250.386 1.917 10 0 CDAERP CC(C)(CNC(=O)N[C@@H]1CCCC[NH2+]C1)C[NH+]1CCCC1 ZINC000333617603 363061445 /nfs/dbraw/zinc/06/14/45/363061445.db2.gz RFFDSBJDSMQROR-CQSZACIVSA-N 2 0 296.459 1.550 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000487415037 366051554 /nfs/dbraw/zinc/05/15/54/366051554.db2.gz OXTXZLRZNZDYGP-RBSFLKMASA-N 2 0 281.444 1.850 10 0 CDAERP O=C(N[C@H]1CCCC[NH2+]C1)N1CCC([NH2+]CC2CC2)CC1 ZINC000333677743 363094522 /nfs/dbraw/zinc/09/45/22/363094522.db2.gz OHIYUYVBJRBLHO-HNNXBMFYSA-N 2 0 294.443 1.302 10 0 CDAERP C[NH+]1CCC2(CCC[N@H+](CC3(O)CCOCC3)C2)CC1 ZINC000367198629 366075255 /nfs/dbraw/zinc/07/52/55/366075255.db2.gz DPXLKRVCHOOZRY-UHFFFAOYSA-N 2 0 282.428 1.336 10 0 CDAERP C[C@H](C[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)Cc1ccccc1 ZINC000629654506 363258192 /nfs/dbraw/zinc/25/81/92/363258192.db2.gz YFYULVNBSOIMGE-LBPRGKRZSA-N 2 0 286.379 1.609 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1cc(-n2ccnc2)cs1 ZINC000629655481 363259338 /nfs/dbraw/zinc/25/93/38/363259338.db2.gz YBIWXGFCOZAJCS-UHFFFAOYSA-N 2 0 294.424 1.602 10 0 CDAERP C[N@@H+]1CC[C@@H](NC(=O)N2CC[C@@H]([NH3+])C2)[C@H]1c1ccccc1 ZINC000333510753 283049993 /nfs/dbraw/zinc/04/99/93/283049993.db2.gz FJJNTLCPXJVXTL-RBSFLKMASA-N 2 0 288.395 1.174 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)[C@H]2CCC[C@@H]21 ZINC000353627174 283138353 /nfs/dbraw/zinc/13/83/53/283138353.db2.gz ZETJFORVYLTTEJ-RHYQMDGZSA-N 2 0 280.334 1.762 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)C(F)(F)F)[C@@H]2CCC[C@@H]21 ZINC000353395073 283138652 /nfs/dbraw/zinc/13/86/52/283138652.db2.gz OAEQJFBWTREDNH-NAKRPEOUSA-N 2 0 266.307 1.372 10 0 CDAERP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CC[NH+]2CCC1CC2 ZINC000336565305 356211403 /nfs/dbraw/zinc/21/14/03/356211403.db2.gz MGEQLAQWYBCCLP-MRXNPFEDSA-N 2 0 291.439 1.700 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CC[NH+]3CCC2CC3)CC[N@@H+]1C ZINC000336574154 356213455 /nfs/dbraw/zinc/21/34/55/356213455.db2.gz OQBOWVIZPIYVNZ-STQMWFEESA-N 2 0 265.401 1.023 10 0 CDAERP Cc1ncoc1C[N@H+](C)CCCNC(=O)C[NH+]1CCCC1 ZINC001660400378 1172208854 /nfs/dbraw/zinc/20/88/54/1172208854.db2.gz RBQGZTHEAYNVKM-UHFFFAOYSA-N 2 0 294.399 1.017 10 0 CDAERP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000070170498 356845502 /nfs/dbraw/zinc/84/55/02/356845502.db2.gz GFDGSPQYRGXNCL-NSHDSACASA-N 2 0 297.349 1.964 10 0 CDAERP C[C@](O)(C[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000634700429 357356969 /nfs/dbraw/zinc/35/69/69/357356969.db2.gz ZUFJNZIEGIVCJT-VGWMRTNUSA-N 2 0 282.428 1.115 10 0 CDAERP COCCN1CCC[C@@H]1C[NH2+]C[C@H](O)CC1CCCC1 ZINC000564844197 357368664 /nfs/dbraw/zinc/36/86/64/357368664.db2.gz JWMVNLHQZUIAES-HZPDHXFCSA-N 2 0 284.444 1.628 10 0 CDAERP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000582067750 357484086 /nfs/dbraw/zinc/48/40/86/357484086.db2.gz HHYWUPCMSCTIPS-HZPDHXFCSA-N 2 0 262.397 1.620 10 0 CDAERP O=C(C[C@H]1CSCC[NH2+]1)N1CCC([NH+]2CCCC2)CC1 ZINC000091137286 357709893 /nfs/dbraw/zinc/70/98/93/357709893.db2.gz LKVBFJBHSLQLCS-ZDUSSCGKSA-N 2 0 297.468 1.168 10 0 CDAERP CC[N@H+](C[C@@H](O)CN(C)Cc1ccccc1)[C@H](C)CO ZINC000644706746 366390928 /nfs/dbraw/zinc/39/09/28/366390928.db2.gz AFFFOOXJSGQAGN-ZBFHGGJFSA-N 2 0 280.412 1.182 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634769772 358522836 /nfs/dbraw/zinc/52/28/36/358522836.db2.gz OAUKQFPXDRRKKY-ZFWWWQNUSA-N 2 0 267.417 1.224 10 0 CDAERP CCC[N@H+](C[C@@H]1CCCCO1)C[C@](C)(O)C[NH2+]C ZINC000569583080 358644674 /nfs/dbraw/zinc/64/46/74/358644674.db2.gz IYTUHBARFNKJJV-UONOGXRCSA-N 2 0 258.406 1.238 10 0 CDAERP C(CN1CC[C@@H]([NH+]2CCCC2)C1)C[NH+]1CCCC1 ZINC000161566607 358805702 /nfs/dbraw/zinc/80/57/02/358805702.db2.gz ORETUNZCZISJFO-OAHLLOKOSA-N 2 0 251.418 1.642 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000262429004 359164970 /nfs/dbraw/zinc/16/49/70/359164970.db2.gz RJVDEEPTUVEFPB-BARDWOONSA-N 2 0 281.444 1.611 10 0 CDAERP COCCC[NH+]1CCC(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000237196053 359397930 /nfs/dbraw/zinc/39/79/30/359397930.db2.gz GZNUGELLALITBR-KBPBESRZSA-N 2 0 297.443 1.121 10 0 CDAERP Cc1nccn1-c1cncc(NCC[NH+]2CCCC2)n1 ZINC000329319287 202281835 /nfs/dbraw/zinc/28/18/35/202281835.db2.gz RBIATMGWHBPUHB-UHFFFAOYSA-N 2 0 272.356 1.478 10 0 CDAERP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423261556 359760679 /nfs/dbraw/zinc/76/06/79/359760679.db2.gz SLMWGTSIJTWXOC-NFAWXSAZSA-N 2 0 251.418 1.448 10 0 CDAERP C[C@@H](C(=O)N(C)[C@H]1C[NH+]2CCC1CC2)[NH+]1CCCCCC1 ZINC000336513153 363672830 /nfs/dbraw/zinc/67/28/30/363672830.db2.gz UXRHYULWSGNAKL-HOCLYGCPSA-N 2 0 293.455 1.804 10 0 CDAERP C[NH2+][C@H](C)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379667762 359904013 /nfs/dbraw/zinc/90/40/13/359904013.db2.gz BZEKQVUTRQWXCG-ZBFHGGJFSA-N 2 0 289.423 1.765 10 0 CDAERP OC1(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CCC1 ZINC000348303079 359983145 /nfs/dbraw/zinc/98/31/45/359983145.db2.gz CONCAFGGLJHDGT-IAGOWNOFSA-N 2 0 286.419 1.965 10 0 CDAERP O=C([C@@H]1CCCC[NH2+]1)N1CCC([NH+]2CCCC2)CC1 ZINC000038101709 296008748 /nfs/dbraw/zinc/00/87/48/296008748.db2.gz ZVPUCXAGSPCWQE-AWEZNQCLSA-N 2 0 265.401 1.215 10 0 CDAERP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CC23CC3)CC[NH2+]CC1 ZINC000424375698 360028144 /nfs/dbraw/zinc/02/81/44/360028144.db2.gz NMQQVADZNMHEMT-RYUDHWBXSA-N 2 0 266.385 1.450 10 0 CDAERP O[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000643494175 360147856 /nfs/dbraw/zinc/14/78/56/360147856.db2.gz OJYNVACBZVFOPV-ANQUJSFKSA-N 2 0 288.391 1.745 10 0 CDAERP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1ccccc1C[NH+](C)C ZINC000335507901 360286353 /nfs/dbraw/zinc/28/63/53/360286353.db2.gz XJXAAFKGIRUXKD-RISCZKNCSA-N 2 0 261.369 1.310 10 0 CDAERP CC[NH+]1CCC([NH2+]C[C@@H](CO)c2cccnc2)CC1 ZINC000348690283 360543345 /nfs/dbraw/zinc/54/33/45/360543345.db2.gz YOOMPGRQSMSRMG-AWEZNQCLSA-N 2 0 263.385 1.231 10 0 CDAERP O=C(NC[C@@H]1CCC[NH2+]1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000335610576 360546313 /nfs/dbraw/zinc/54/63/13/360546313.db2.gz YTLKULMGAZBFGA-LSDHHAIUSA-N 2 0 294.443 1.398 10 0 CDAERP CCC[NH+]1CCC([NH2+]C[C@@H](CO)c2cccnc2)CC1 ZINC000348739111 360587108 /nfs/dbraw/zinc/58/71/08/360587108.db2.gz AWBUFLWRLMEAJD-HNNXBMFYSA-N 2 0 277.412 1.622 10 0 CDAERP C(C[NH2+]C1CCCCCC1)NCC12CC(C1)C[NH2+]2 ZINC000634994638 360621922 /nfs/dbraw/zinc/62/19/22/360621922.db2.gz JJZNZFJAVWUJTO-UHFFFAOYSA-N 2 0 251.418 1.640 10 0 CDAERP CC(=O)Nc1ccc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000634998408 360634440 /nfs/dbraw/zinc/63/44/40/360634440.db2.gz FHIFQKUYYZAKRF-FZMZJTMJSA-N 2 0 261.369 1.672 10 0 CDAERP C[C@H]1C[N@H+](Cc2cn(C)nc2C(C)(C)C)C[C@@H]1C[NH3+] ZINC000634998212 360635122 /nfs/dbraw/zinc/63/51/22/360635122.db2.gz CFLGESFZYIPTDP-RYUDHWBXSA-N 2 0 264.417 1.744 10 0 CDAERP C[C@@H]1OCC[C@@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000149489836 360950144 /nfs/dbraw/zinc/95/01/44/360950144.db2.gz OGNDDOZTUSTCRS-WFASDCNBSA-N 2 0 261.369 1.817 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)NCC[NH2+]C(C)(C)C ZINC000431768388 361044953 /nfs/dbraw/zinc/04/49/53/361044953.db2.gz KHPCAFIXFFSFDV-CYBMUJFWSA-N 2 0 269.433 1.755 10 0 CDAERP CO[C@H](C)[C@@H](C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000366212220 361169336 /nfs/dbraw/zinc/16/93/36/361169336.db2.gz VVELFHMWSRVKAS-HZPDHXFCSA-N 2 0 297.487 1.950 10 0 CDAERP CC(C)[NH+]1CCN(CCC[NH+]2CCN(C3CC3)CC2)CC1 ZINC000192973755 364103852 /nfs/dbraw/zinc/10/38/52/364103852.db2.gz NVNMDLURARVPMC-UHFFFAOYSA-N 2 0 294.487 1.183 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000357234931 366849456 /nfs/dbraw/zinc/84/94/56/366849456.db2.gz OVJZOTFOJTUBQM-RRFJBIMHSA-N 2 0 281.444 1.802 10 0 CDAERP Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2CCC[N@@H+](C)C2)c1 ZINC000644192031 364674078 /nfs/dbraw/zinc/67/40/78/364674078.db2.gz GFJFWAZMEJPRLK-ZDUSSCGKSA-N 2 0 276.384 1.669 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000105276337 364704180 /nfs/dbraw/zinc/70/41/80/364704180.db2.gz QYJHUZYDFMVHEY-CABCVRRESA-N 2 0 296.459 1.452 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000641036372 364869304 /nfs/dbraw/zinc/86/93/04/364869304.db2.gz ISTAFODYQXMLJZ-UHFFFAOYSA-N 2 0 281.444 1.804 10 0 CDAERP C[C@@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)[NH+](C)C1CC1 ZINC000353157582 365032935 /nfs/dbraw/zinc/03/29/35/365032935.db2.gz LIQLTEIURFRNRH-KBPBESRZSA-N 2 0 281.444 1.850 10 0 CDAERP CCN(C)c1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cn1 ZINC000414941582 370814915 /nfs/dbraw/zinc/81/49/15/370814915.db2.gz LRUGPHSVZZRMSN-TZMCWYRMSA-N 2 0 262.401 1.625 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCN2CCCCC2=O)[C@@H]2CCC[C@H]21 ZINC000353500048 365259019 /nfs/dbraw/zinc/25/90/19/365259019.db2.gz VXSZRCZAJNAKJN-HRCADAONSA-N 2 0 293.455 1.851 10 0 CDAERP COCCN1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000353527583 365278386 /nfs/dbraw/zinc/27/83/86/365278386.db2.gz DGWZCBQFSAQDCA-JJXSEGSLSA-N 2 0 281.444 1.170 10 0 CDAERP CC1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000354359920 365430166 /nfs/dbraw/zinc/43/01/66/365430166.db2.gz AKBWMEJSCXMDJF-OAHLLOKOSA-N 2 0 279.428 1.413 10 0 CDAERP Cc1nccc(N2CC[NH+](C[C@@H]3CC[NH2+][C@@H](C)C3)CC2)n1 ZINC000414704213 241338769 /nfs/dbraw/zinc/33/87/69/241338769.db2.gz CZFZHHIETFIQOR-DZGCQCFKSA-N 2 0 289.427 1.295 10 0 CDAERP C[C@H](CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[N@H+](C)C1CC1 ZINC000626969735 367105549 /nfs/dbraw/zinc/10/55/49/367105549.db2.gz DWFURXWBVLRALF-WQVCFCJDSA-N 2 0 294.443 1.110 10 0 CDAERP C[C@@H](CNC(=O)N[C@H]1CC[NH2+]C12CCC2)[N@H+](C)C1CC1 ZINC000626970692 367107889 /nfs/dbraw/zinc/10/78/89/367107889.db2.gz TVDJCQCZSVGUAP-AAEUAGOBSA-N 2 0 280.416 1.053 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N(CC[NH+](C)C)c2ccccc2)C1 ZINC000565180442 367302414 /nfs/dbraw/zinc/30/24/14/367302414.db2.gz LVQHJDDVJVDCJH-HNNXBMFYSA-N 2 0 289.423 1.923 10 0 CDAERP C[C@@H](CCCC[NH3+])NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627092395 367427810 /nfs/dbraw/zinc/42/78/10/367427810.db2.gz BMPJJZGECMZUHJ-AEGPPILISA-N 2 0 282.432 1.145 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)NCc2ccc(C[NH3+])cc2)C[NH2+]1 ZINC000627108672 367455760 /nfs/dbraw/zinc/45/57/60/367455760.db2.gz LVUCTPGGKPLCNA-BXUZGUMPSA-N 2 0 276.384 1.085 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000627159774 367588751 /nfs/dbraw/zinc/58/87/51/367588751.db2.gz UFYMBPGPXAQTGB-YVECIDJPSA-N 2 0 268.405 1.038 10 0 CDAERP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000358366730 367635925 /nfs/dbraw/zinc/63/59/25/367635925.db2.gz JIDIBOSADICWGL-IWCQGFGOSA-N 2 0 273.424 1.972 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000417009987 242266442 /nfs/dbraw/zinc/26/64/42/242266442.db2.gz OGEDQHROPVWGIQ-KBUPBQIOSA-N 2 0 296.459 1.404 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)C[NH2+]1 ZINC000627197681 367685667 /nfs/dbraw/zinc/68/56/67/367685667.db2.gz FFIBZONKSCNUCN-ZOBORPQBSA-N 2 0 282.432 1.251 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)C[NH2+]1 ZINC000627199593 367691800 /nfs/dbraw/zinc/69/18/00/367691800.db2.gz ZNVWMRZTPMCWOC-DYEKYZERSA-N 2 0 280.416 1.005 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000627237903 367799932 /nfs/dbraw/zinc/79/99/32/367799932.db2.gz KQDHDTIDYQBCOL-UONOGXRCSA-N 2 0 296.459 1.500 10 0 CDAERP CC[NH2+][C@@H](C)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000638066822 367979210 /nfs/dbraw/zinc/97/92/10/367979210.db2.gz NHYFESZSPFJCMP-ZDUSSCGKSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418405020 243035004 /nfs/dbraw/zinc/03/50/04/243035004.db2.gz ASABMYJSZKRIJU-CFVMTHIKSA-N 2 0 290.411 1.598 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000418408534 243040846 /nfs/dbraw/zinc/04/08/46/243040846.db2.gz UOTYPIAZBCFFIC-OAHLLOKOSA-N 2 0 296.459 1.487 10 0 CDAERP O=C(CC1CC[NH2+]CC1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000366627092 368386561 /nfs/dbraw/zinc/38/65/61/368386561.db2.gz DDNAZIPCKMKMBZ-LSDHHAIUSA-N 2 0 279.428 1.367 10 0 CDAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000418555379 243210056 /nfs/dbraw/zinc/21/00/56/243210056.db2.gz DNDYUMWRXLMLPQ-ZFWWWQNUSA-N 2 0 290.411 1.155 10 0 CDAERP [NH3+][C@@H]1CC=C(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000638117154 368476539 /nfs/dbraw/zinc/47/65/39/368476539.db2.gz JPNQEXNSYMXAGI-IAGOWNOFSA-N 2 0 299.418 1.815 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000418584171 243239517 /nfs/dbraw/zinc/23/95/17/243239517.db2.gz BWTOFVKHEJCJBU-HIFRSBDPSA-N 2 0 290.411 1.155 10 0 CDAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000418621332 243286208 /nfs/dbraw/zinc/28/62/08/243286208.db2.gz SADUTWVBKFVRHW-ZFWWWQNUSA-N 2 0 296.459 1.500 10 0 CDAERP C[C@@H](NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)[C@H](C)[NH3+] ZINC000418705901 243358909 /nfs/dbraw/zinc/35/89/09/243358909.db2.gz SAJWTWNPDFVYEA-BFHYXJOUSA-N 2 0 282.432 1.382 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000418716831 243370933 /nfs/dbraw/zinc/37/09/33/243370933.db2.gz ZUNUFLDWVPKGNF-CHWSQXEVSA-N 2 0 282.432 1.240 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N(C)CCC[NH+](C)C ZINC000541813573 368681784 /nfs/dbraw/zinc/68/17/84/368681784.db2.gz POOBZCHOAZIZNM-UHFFFAOYSA-N 2 0 272.437 1.311 10 0 CDAERP CO[C@@H]1C[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)[C@](C)(C[NH3+])C1 ZINC000630364461 368793552 /nfs/dbraw/zinc/79/35/52/368793552.db2.gz DWLXUVYKZIIWKB-MRLBHPIUSA-N 2 0 252.402 1.861 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H](CO)C1 ZINC000543396194 368911869 /nfs/dbraw/zinc/91/18/69/368911869.db2.gz CERWODBBFOCTSI-CQSZACIVSA-N 2 0 286.379 1.780 10 0 CDAERP CN(CCC(=O)NCC1CC[NH+](C)CC1)c1cc[nH+]cc1 ZINC000543714589 368956722 /nfs/dbraw/zinc/95/67/22/368956722.db2.gz XBQZGAFVXWAFEP-UHFFFAOYSA-N 2 0 290.411 1.366 10 0 CDAERP CC(C)[C@@H](C)NC(=O)C1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420302028 244049594 /nfs/dbraw/zinc/04/95/94/244049594.db2.gz LUSONOKRGIZPBG-CABCVRRESA-N 2 0 295.471 1.859 10 0 CDAERP CN1CC[C@H]([NH2+]CC[S@](=O)C(C)(C)C)[C@@H]2CCC[C@H]21 ZINC000367612154 369199131 /nfs/dbraw/zinc/19/91/31/369199131.db2.gz DBPSBWULTQHUQV-PJHJGJPPSA-N 2 0 286.485 1.996 10 0 CDAERP Cc1cnc(CC[N@H+](C)CC[C@@H]2CC[NH2+]C2)s1 ZINC000420352431 244127664 /nfs/dbraw/zinc/12/76/64/244127664.db2.gz ANVNZGLSSBYHHE-LBPRGKRZSA-N 2 0 253.415 1.925 10 0 CDAERP O=C([C@H]1C[NH2+]Cc2ccccc21)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000335423131 296138500 /nfs/dbraw/zinc/13/85/00/296138500.db2.gz KVFXKRKGFQERGG-FUHWJXTLSA-N 2 0 299.418 1.476 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000577491689 317340567 /nfs/dbraw/zinc/34/05/67/317340567.db2.gz DOSWVJUAUHNLAX-HUUCEWRRSA-N 2 0 281.444 1.885 10 0 CDAERP [NH3+][C@@H](Cc1cn(C[C@@H]2CCC[NH2+]2)nn1)c1ccccc1 ZINC000630605189 369373942 /nfs/dbraw/zinc/37/39/42/369373942.db2.gz GOSHRWMLYYEEPQ-ZFWWWQNUSA-N 2 0 271.368 1.273 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](C3CCC3)CC2)C1 ZINC000567365828 370969708 /nfs/dbraw/zinc/96/97/08/370969708.db2.gz MOOIUTIZQXIBTL-ZDUSSCGKSA-N 2 0 279.428 1.461 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC000290749417 370030072 /nfs/dbraw/zinc/03/00/72/370030072.db2.gz AHFZYDNJBBVCTO-ZDUSSCGKSA-N 2 0 292.427 1.998 10 0 CDAERP [NH3+][C@@H](C(=O)NCC1([NH3+])CCCCCC1)c1ccccc1 ZINC000370713759 370135248 /nfs/dbraw/zinc/13/52/48/370135248.db2.gz YEIRMINGCLZEBR-CQSZACIVSA-N 2 0 275.396 1.854 10 0 CDAERP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000250835265 370194905 /nfs/dbraw/zinc/19/49/05/370194905.db2.gz KQQRKMYSCOJYJC-SUJAAXHWSA-N 2 0 291.439 1.650 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000564938013 370304663 /nfs/dbraw/zinc/30/46/63/370304663.db2.gz RMCRZAHLASUZRX-IJLUTSLNSA-N 2 0 258.410 1.142 10 0 CDAERP COc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc(OC)c1 ZINC000414935141 370598774 /nfs/dbraw/zinc/59/87/74/370598774.db2.gz ANJCZIHZSXZNKS-XHDPSFHLSA-N 2 0 264.369 1.791 10 0 CDAERP C[C@H](CNC(=O)NCCC1(C[NH3+])CC1)C[NH+]1CCCC1 ZINC000652133554 412785579 /nfs/dbraw/zinc/78/55/79/412785579.db2.gz TWVRGCDKERFXBA-CYBMUJFWSA-N 2 0 282.432 1.147 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CC(C)(C)N1CCC[C@H](C)C1 ZINC000422752279 245214229 /nfs/dbraw/zinc/21/42/29/245214229.db2.gz DORGRRTVCCQICG-GJZGRUSLSA-N 2 0 285.476 1.840 10 0 CDAERP CCCCNC(=[NH2+])NC1CC([NH+]2CCCCC2)C1 ZINC000376017030 371077414 /nfs/dbraw/zinc/07/74/14/371077414.db2.gz AZDSNMKBIMEQJF-UHFFFAOYSA-N 2 0 252.406 1.917 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)COC(C)C)C1 ZINC000567685021 371098672 /nfs/dbraw/zinc/09/86/72/371098672.db2.gz UDDXNGURAYWTKA-HUUCEWRRSA-N 2 0 272.433 1.340 10 0 CDAERP CN(C[C@@H](O)C[NH2+]C[C@H]1CC12CCSCC2)C1CC1 ZINC000567694429 371104948 /nfs/dbraw/zinc/10/49/48/371104948.db2.gz SSRNWJSOKXOUEQ-OCCSQVGLSA-N 2 0 284.469 1.564 10 0 CDAERP Cc1cc(C)n2c(C[NH2+]CC[C@H]3CC[NH2+]C3)cnc2n1 ZINC000573186973 371454544 /nfs/dbraw/zinc/45/45/44/371454544.db2.gz HAIAYYGRROBQFX-CYBMUJFWSA-N 2 0 273.384 1.435 10 0 CDAERP C[C@@H]([NH2+]C1CC1)C(=O)NCc1nccn1CC(F)(F)F ZINC000575396008 371831578 /nfs/dbraw/zinc/83/15/78/371831578.db2.gz IPAODDAQNKICEO-MRVPVSSYSA-N 2 0 290.289 1.202 10 0 CDAERP C[NH2+]C[C@@H]1CCCN1C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000580644850 372053378 /nfs/dbraw/zinc/05/33/78/372053378.db2.gz YTGKVHGXCSQSJN-KGLIPLIRSA-N 2 0 267.417 1.461 10 0 CDAERP OC[C@@H](O)C[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000580951563 372759218 /nfs/dbraw/zinc/75/92/18/372759218.db2.gz CYHRYILGXFCUBO-CVEARBPZSA-N 2 0 290.407 1.126 10 0 CDAERP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@@H](C(=O)C3CC3)C2)CC[NH2+]1 ZINC000415109258 372837971 /nfs/dbraw/zinc/83/79/71/372837971.db2.gz QXILRCDILSHQPJ-MBNYWOFBSA-N 2 0 266.385 1.054 10 0 CDAERP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000383712682 373145050 /nfs/dbraw/zinc/14/50/50/373145050.db2.gz DVGVWFUTUQYRKM-JONQDZQNSA-N 2 0 284.444 1.315 10 0 CDAERP O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CC[NH2+]1 ZINC000384799705 373197146 /nfs/dbraw/zinc/19/71/46/373197146.db2.gz RWUGTVWWTJNFNB-CQSZACIVSA-N 2 0 259.353 1.583 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1C ZINC000341208366 373407520 /nfs/dbraw/zinc/40/75/20/373407520.db2.gz UPOGWRJBQBGLRU-LXTVHRRPSA-N 2 0 296.459 1.593 10 0 CDAERP C[C@@H]1C[C@H](C)[N@H+](C[C@H]2CCc3ncnn32)C[C@@H]1C[NH3+] ZINC000631828794 373721659 /nfs/dbraw/zinc/72/16/59/373721659.db2.gz YTEPOMJDUVNURC-MROQNXINSA-N 2 0 263.389 1.071 10 0 CDAERP CC(C)CCNC(=O)[C@H](C)[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631840205 373789153 /nfs/dbraw/zinc/78/91/53/373789153.db2.gz ALVOMBPYBZDDHW-RWMBFGLXSA-N 2 0 255.406 1.064 10 0 CDAERP C[C@@H]([NH2+]CC1(CO)CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000643466256 373935142 /nfs/dbraw/zinc/93/51/42/373935142.db2.gz KNVPLBSEVUISFS-KGLIPLIRSA-N 2 0 254.418 1.907 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000418562155 374409992 /nfs/dbraw/zinc/40/99/92/374409992.db2.gz TYVCFMJADJOJKR-APIJFGDWSA-N 2 0 294.443 1.110 10 0 CDAERP Cc1cc(C)n(CCC[NH2+][C@@H]2CCC[NH2+]CC2)n1 ZINC000126414421 374998322 /nfs/dbraw/zinc/99/83/22/374998322.db2.gz XNYFMMKTAQSIFZ-CQSZACIVSA-N 2 0 250.390 1.622 10 0 CDAERP Cn1nccc1CC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000300065860 375297664 /nfs/dbraw/zinc/29/76/64/375297664.db2.gz IMGZKXBBYYSAJW-DZGCQCFKSA-N 2 0 262.401 1.427 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000417031564 375712791 /nfs/dbraw/zinc/71/27/91/375712791.db2.gz DTHJSNGUSGPXAM-RDBSUJKOSA-N 2 0 284.448 1.676 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CNC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000417240137 375740975 /nfs/dbraw/zinc/74/09/75/375740975.db2.gz PEPIKKYNEOSNIK-SOUVJXGZSA-N 2 0 294.443 1.254 10 0 CDAERP CC[C@]1(O)CC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000428442987 247302864 /nfs/dbraw/zinc/30/28/64/247302864.db2.gz PCAAYZHFZVDYPT-INIZCTEOSA-N 2 0 286.379 1.923 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000638976057 376322310 /nfs/dbraw/zinc/32/23/10/376322310.db2.gz UBASFNXIPZJPQY-CHWSQXEVSA-N 2 0 267.417 1.447 10 0 CDAERP CC1=CC[NH+](CCNC(=O)N(C)C[C@H]2CCC[N@@H+]2C)CC1 ZINC000420829856 376434292 /nfs/dbraw/zinc/43/42/92/376434292.db2.gz GWWHTRDKYKFJMK-OAHLLOKOSA-N 2 0 294.443 1.374 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N2CCC[C@@H]2C[NH2+]C)CC1 ZINC000417394439 376556209 /nfs/dbraw/zinc/55/62/09/376556209.db2.gz SDQUMWCMPCHUBZ-OAHLLOKOSA-N 2 0 296.459 1.502 10 0 CDAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCC[NH+](CC)C2)C1 ZINC000246328138 376628010 /nfs/dbraw/zinc/62/80/10/376628010.db2.gz AZUWNQFFFDVOTN-GJZGRUSLSA-N 2 0 296.459 1.454 10 0 CDAERP CCO[C@@H]1C[N@H+](Cc2c(C)cc(C)nc2C)C[C@H]1C[NH3+] ZINC000631828855 376664792 /nfs/dbraw/zinc/66/47/92/376664792.db2.gz ADZGISLYFFRLJY-GDBMZVCRSA-N 2 0 277.412 1.802 10 0 CDAERP C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2)C[C@@H]1C[NH3+] ZINC000631839232 376685859 /nfs/dbraw/zinc/68/58/59/376685859.db2.gz CDFGZVRKVKIQCU-OLZOCXBDSA-N 2 0 261.369 1.542 10 0 CDAERP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000631874118 376763829 /nfs/dbraw/zinc/76/38/29/376763829.db2.gz XRYAJUKYNYPYSX-CABCVRRESA-N 2 0 254.418 1.859 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000019438299 284602654 /nfs/dbraw/zinc/60/26/54/284602654.db2.gz NSMTZHLJPVDKBQ-KKUMJFAQSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000246473907 376870142 /nfs/dbraw/zinc/87/01/42/376870142.db2.gz QYJHUZYDFMVHEY-LSDHHAIUSA-N 2 0 296.459 1.452 10 0 CDAERP CCN(C(=O)C[NH3+])[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000165946253 376871053 /nfs/dbraw/zinc/87/10/53/376871053.db2.gz OTEXHCRJWWJWGF-ZFWWWQNUSA-N 2 0 275.396 1.629 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N[C@H](C)CCC[NH3+])CC1 ZINC000417398546 376922979 /nfs/dbraw/zinc/92/29/79/376922979.db2.gz YIKXDAIEVJBKAC-CYBMUJFWSA-N 2 0 284.448 1.535 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000070317089 377033819 /nfs/dbraw/zinc/03/38/19/377033819.db2.gz CQJZWFBCMCCWMD-QWHCGFSZSA-N 2 0 255.406 1.352 10 0 CDAERP CC[NH+]1CCC(N(C)CC(=O)NC2CCCCC2)CC1 ZINC000077249607 377541208 /nfs/dbraw/zinc/54/12/08/377541208.db2.gz BUHFFMBAJQMIER-UHFFFAOYSA-N 2 0 281.444 1.851 10 0 CDAERP CC(C)NC(=O)NCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000572032162 377671112 /nfs/dbraw/zinc/67/11/12/377671112.db2.gz YHTOVOQBYDDJPX-UHFFFAOYSA-N 2 0 296.459 1.502 10 0 CDAERP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)NCC1([NH3+])CCCCCC1 ZINC000334936614 377706025 /nfs/dbraw/zinc/70/60/25/377706025.db2.gz SBCSHCXQJRINSN-NEPJUHHUSA-N 2 0 268.405 1.169 10 0 CDAERP CCC[C@@H](C(=O)NCC1CC[NH+](CCC)CC1)[NH+](C)C ZINC000161870405 377777915 /nfs/dbraw/zinc/77/79/15/377777915.db2.gz JGNNRGVDLYHHKA-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000335033297 377780316 /nfs/dbraw/zinc/78/03/16/377780316.db2.gz FUCZCWBKLPWEDH-JSGCOSHPSA-N 2 0 292.427 1.007 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)CC[N@@H+]1C ZINC000633202594 378202837 /nfs/dbraw/zinc/20/28/37/378202837.db2.gz UNQLPRIEUBKLIS-IGQOVBAYSA-N 2 0 267.417 1.268 10 0 CDAERP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)C1C[NH2+]C1 ZINC000262304505 284689205 /nfs/dbraw/zinc/68/92/05/284689205.db2.gz BZSFBPBOESCCPN-IJEWVQPXSA-N 2 0 295.471 1.859 10 0 CDAERP C[N@H+](CC1CC[NH+](CCO)CC1)C[C@H]1CCCCO1 ZINC000069770071 378731423 /nfs/dbraw/zinc/73/14/23/378731423.db2.gz PQULSLVXIRKTBK-OAHLLOKOSA-N 2 0 270.417 1.192 10 0 CDAERP C[C@H](CN[C@@H]1C[N@H+](C)C[C@H]1C)C[NH+]1CCCCC1 ZINC000343397071 378860164 /nfs/dbraw/zinc/86/01/64/378860164.db2.gz BRDRDEAJLAKXBU-RBSFLKMASA-N 2 0 253.434 1.648 10 0 CDAERP CC[C@H](C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1)OC ZINC000662326540 412895946 /nfs/dbraw/zinc/89/59/46/412895946.db2.gz VQMRVXYMTTZMHL-ZIAGYGMSSA-N 2 0 258.406 1.454 10 0 CDAERP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC2(C(=O)OC)CC2)C1 ZINC000450452769 251290258 /nfs/dbraw/zinc/29/02/58/251290258.db2.gz KLCZGEZPRSGARK-AWEZNQCLSA-N 2 0 298.427 1.372 10 0 CDAERP C1CC2(C1)C[C@@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CO2 ZINC000657630259 412953545 /nfs/dbraw/zinc/95/35/45/412953545.db2.gz AFGOQDCMYOEXSS-MGPQQGTHSA-N 2 0 250.386 1.914 10 0 CDAERP [NH3+]CC12CCC(CC1)CN2CCCC1CC[NH2+]CC1 ZINC000655942366 412956392 /nfs/dbraw/zinc/95/63/92/412956392.db2.gz OVQJHXYWEPZXOA-UHFFFAOYSA-N 2 0 265.445 1.970 10 0 CDAERP C[C@@H]1CC[C@@H](C[NH3+])[C@H]([N@H+](C)Cc2cnn(C)c2)C1 ZINC000042488626 184554735 /nfs/dbraw/zinc/55/47/35/184554735.db2.gz KXZLCYSOZZNHKH-KWCYVHTRSA-N 2 0 250.390 1.615 10 0 CDAERP CC(C)[NH2+]CCCNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655962780 412965544 /nfs/dbraw/zinc/96/55/44/412965544.db2.gz QAUGQCKUJZJQLW-BETUJISGSA-N 2 0 270.421 1.014 10 0 CDAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1nc(C)nc(N(C)C)n1 ZINC000490082443 253028471 /nfs/dbraw/zinc/02/84/71/253028471.db2.gz VCCVSPHPKHUUMA-OLZOCXBDSA-N 2 0 290.415 1.309 10 0 CDAERP CC[NH+]1CCC(NC(=O)C[N@H+](C)C2(C)CCCC2)CC1 ZINC000489881535 253015654 /nfs/dbraw/zinc/01/56/54/253015654.db2.gz FYTVUOXAEAGTKU-UHFFFAOYSA-N 2 0 281.444 1.851 10 0 CDAERP CCN(C(=O)NC[C@H](C)[NH+](C)C1CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000664000200 413007236 /nfs/dbraw/zinc/00/72/36/413007236.db2.gz WXTFLJIQDFCTGK-DZGCQCFKSA-N 2 0 296.459 1.595 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CSC ZINC000337577817 285243633 /nfs/dbraw/zinc/24/36/33/285243633.db2.gz KPWYTBCEGOZZAQ-CYBMUJFWSA-N 2 0 287.473 1.224 10 0 CDAERP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000261905767 297397464 /nfs/dbraw/zinc/39/74/64/297397464.db2.gz XGLLSFWOWPKFEZ-RGDJUOJXSA-N 2 0 265.401 1.103 10 0 CDAERP CC(C)(C)[NH2+]CCNC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662468101 413045651 /nfs/dbraw/zinc/04/56/51/413045651.db2.gz PDFQUWCDMLWSOE-AWEZNQCLSA-N 2 0 275.396 1.725 10 0 CDAERP C[NH2+][C@H](C)Cc1noc([C@@H](C[NH3+])c2ccc(F)cc2)n1 ZINC000647143006 390547639 /nfs/dbraw/zinc/54/76/39/390547639.db2.gz ZSPSYMIHQMGXJK-SKDRFNHKSA-N 2 0 278.331 1.450 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CCC([NH3+])CC2)[C@H](C)C1 ZINC000335301218 285386816 /nfs/dbraw/zinc/38/68/16/285386816.db2.gz GQVRQKGIFUKFST-URGYJCLVSA-N 2 0 296.459 1.628 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]([NH3+])C(C)C)[C@H](C)C1 ZINC000418383385 285388092 /nfs/dbraw/zinc/38/80/92/285388092.db2.gz IYZNDRPTNJCKPW-MCIONIFRSA-N 2 0 284.448 1.341 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@@H](C)[NH3+])C[C@@H]1C ZINC000418700239 285390060 /nfs/dbraw/zinc/39/00/60/285390060.db2.gz FKWJWASRTBUQMY-LOWDOPEQSA-N 2 0 270.421 1.236 10 0 CDAERP [NH3+]CCc1cccc(C[N@@H+]2CCC[C@@]3(CNC(=O)O3)C2)c1 ZINC000072436491 390799036 /nfs/dbraw/zinc/79/90/36/390799036.db2.gz ALUUVWNZUIFSKG-MRXNPFEDSA-N 2 0 289.379 1.262 10 0 CDAERP CCOCC[N@@H+]1CCN(C(=O)CC(C)(C)[NH3+])C[C@H]1CC ZINC000178777312 390909804 /nfs/dbraw/zinc/90/98/04/390909804.db2.gz JBHSEOLMLATLIH-CYBMUJFWSA-N 2 0 285.432 1.073 10 0 CDAERP C[N@H+](CCN1CC[NH2+]CC1)Cc1cccc2cnccc21 ZINC000647492961 390969702 /nfs/dbraw/zinc/96/97/02/390969702.db2.gz KZXDNMAVFLPZCH-UHFFFAOYSA-N 2 0 284.407 1.572 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H](NCc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000647550768 390999395 /nfs/dbraw/zinc/99/93/95/390999395.db2.gz GMWZADZRQAGCJW-SWLSCSKDSA-N 2 0 279.403 1.975 10 0 CDAERP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527651538 391085566 /nfs/dbraw/zinc/08/55/66/391085566.db2.gz DNCKKMXOTWFQGS-FSDCSDTHSA-N 2 0 279.472 1.894 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(C)c(C)n1 ZINC000314060280 391120382 /nfs/dbraw/zinc/12/03/82/391120382.db2.gz RMQSAPJTJQCACL-AWEZNQCLSA-N 2 0 251.374 1.542 10 0 CDAERP [NH3+][C@@H](CNC(=O)NCCC[NH2+]C1CC1)c1ccccc1 ZINC000418290898 391178091 /nfs/dbraw/zinc/17/80/91/391178091.db2.gz UKWKXKJNSUQRTM-AWEZNQCLSA-N 2 0 276.384 1.128 10 0 CDAERP O=C(CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)NC1CCCC1 ZINC000647901665 391198640 /nfs/dbraw/zinc/19/86/40/391198640.db2.gz SLRPQCMDXNLWHG-HOCLYGCPSA-N 2 0 293.455 1.899 10 0 CDAERP C(CC1CC[NH2+]CC1)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000647979552 391399491 /nfs/dbraw/zinc/39/94/91/391399491.db2.gz QNYIKLXTQQQESU-IYBDPMFKSA-N 3 0 265.445 1.698 10 0 CDAERP COC(=O)[C@@H](CC(C)C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000351849267 391761641 /nfs/dbraw/zinc/76/16/41/391761641.db2.gz DLUQIEYHEZBVAA-CQSZACIVSA-N 2 0 270.417 1.848 10 0 CDAERP CCNC(=O)C[C@@H]1CCCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000342056623 130225753 /nfs/dbraw/zinc/22/57/53/130225753.db2.gz BRQCXTFADJUPQU-CABCVRRESA-N 2 0 281.444 1.851 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000418207785 391811648 /nfs/dbraw/zinc/81/16/48/391811648.db2.gz VBVWBMVIEVIBAU-QJPTWQEYSA-N 2 0 258.410 1.142 10 0 CDAERP CC(C)[NH2+]C[C@H]1CCCN(C)[C@@H]1c1cnn(C)c1 ZINC000070280710 391887960 /nfs/dbraw/zinc/88/79/60/391887960.db2.gz YZEGAZWRLXQHEG-OCCSQVGLSA-N 2 0 250.390 1.801 10 0 CDAERP CC(C)[N@H+](C)C[C@@H](O)CN1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000647965583 391928591 /nfs/dbraw/zinc/92/85/91/391928591.db2.gz BFZFSDUPNVHHMD-IXDOHACOSA-N 2 0 297.487 1.635 10 0 CDAERP CC(C)[NH2+]C1CCN(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000334959699 391988330 /nfs/dbraw/zinc/98/83/30/391988330.db2.gz RCIQMFCSMWDQPW-OCCSQVGLSA-N 2 0 282.432 1.156 10 0 CDAERP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)c1cnn(C)c1 ZINC000163220015 392038677 /nfs/dbraw/zinc/03/86/77/392038677.db2.gz LZNIIJZJONCDMR-JSGCOSHPSA-N 2 0 250.390 1.803 10 0 CDAERP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCC[C@H]3CCOC3)CC2)C1 ZINC000645828414 392181308 /nfs/dbraw/zinc/18/13/08/392181308.db2.gz QDCOTVGKPCOCJP-DLBZAZTESA-N 2 0 295.471 1.515 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000423074419 392319260 /nfs/dbraw/zinc/31/92/60/392319260.db2.gz LRMYXQRHWSSOFA-OAHLLOKOSA-N 2 0 277.412 1.804 10 0 CDAERP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCCNc1ccccc1F ZINC000423029900 392285872 /nfs/dbraw/zinc/28/58/72/392285872.db2.gz IXWXNEQJVMJNDZ-GZBFAFLISA-N 2 0 295.402 1.970 10 0 CDAERP C[C@@H]([NH2+]CCc1cc(F)c(F)c(F)c1)C1C[NH2+]C1 ZINC000423049439 392299674 /nfs/dbraw/zinc/29/96/74/392299674.db2.gz XOFGVNMYCUVKDA-MRVPVSSYSA-N 2 0 258.287 1.844 10 0 CDAERP CC[N@H+](CC(=O)N(C)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC000442835792 392329164 /nfs/dbraw/zinc/32/91/64/392329164.db2.gz FHRSQNOSMLNVPJ-CQSZACIVSA-N 2 0 265.401 1.023 10 0 CDAERP Cc1nc(N(C)C)nc(N(C)C[C@H]2CCC[N@H+](C)C2)n1 ZINC000488386066 392346982 /nfs/dbraw/zinc/34/69/82/392346982.db2.gz DZOAHBUQLKYDOS-LBPRGKRZSA-N 2 0 278.404 1.024 10 0 CDAERP C[C@H](C[C@H]1COCCN1)[NH2+]Cc1ccc2cc[nH]c2n1 ZINC000423131179 392369143 /nfs/dbraw/zinc/36/91/43/392369143.db2.gz ZMVTZTLGRMLSCS-RISCZKNCSA-N 2 0 274.368 1.420 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccco2)CC[NH2+]1 ZINC000262347988 131213801 /nfs/dbraw/zinc/21/38/01/131213801.db2.gz IBBAMXSGLSWHQF-KBPBESRZSA-N 2 0 293.411 1.558 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)N[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423140031 392379626 /nfs/dbraw/zinc/37/96/26/392379626.db2.gz MAWNXQGSPSWOMU-BPUTZDHNSA-N 2 0 283.460 1.463 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1COc2c(C)cccc2C1 ZINC000423141853 392380890 /nfs/dbraw/zinc/38/08/90/392380890.db2.gz SANSIYKQOWWRSJ-CABCVRRESA-N 2 0 278.396 1.642 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCN(c2ccc(F)cc2)C1 ZINC000423182314 392421677 /nfs/dbraw/zinc/42/16/77/392421677.db2.gz LNFPNPZSQMDSKV-GJZGRUSLSA-N 2 0 295.402 1.748 10 0 CDAERP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423200210 392438632 /nfs/dbraw/zinc/43/86/32/392438632.db2.gz DWSMZHOLUFPWGU-PVAVHDDUSA-N 2 0 273.424 1.673 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CC(C)(C)C1(O)CCCC1 ZINC000423168864 392407814 /nfs/dbraw/zinc/40/78/14/392407814.db2.gz VBGLOVFZPMSKJX-ZDUSSCGKSA-N 2 0 272.433 1.661 10 0 CDAERP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]CCC[NH3+] ZINC000437758487 392487035 /nfs/dbraw/zinc/48/70/35/392487035.db2.gz MPJBBNCMWJBNNO-SNVBAGLBSA-N 2 0 253.321 1.481 10 0 CDAERP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CCC[NH3+] ZINC000437794659 392492679 /nfs/dbraw/zinc/49/26/79/392492679.db2.gz FDIOPJCHVOBKSN-JTQLQIEISA-N 2 0 253.321 1.481 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000521070827 392926930 /nfs/dbraw/zinc/92/69/30/392926930.db2.gz LZGQLSNYCWWMLO-AVGNSLFASA-N 2 0 270.421 1.142 10 0 CDAERP C[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1C)[NH+]1CCC[C@H](C)C1 ZINC000195127989 393065978 /nfs/dbraw/zinc/06/59/78/393065978.db2.gz IAANYKGHIXHOFD-KKUMJFAQSA-N 2 0 296.459 1.500 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)[C@@H]1C ZINC000495077511 393172092 /nfs/dbraw/zinc/17/20/92/393172092.db2.gz DWNUDPNFTJHMRI-NFAWXSAZSA-N 2 0 253.434 1.647 10 0 CDAERP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000494898116 393126257 /nfs/dbraw/zinc/12/62/57/393126257.db2.gz OTICNJXQGJWRRL-LLVKDONJSA-N 2 0 255.406 1.221 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH3+])CCCCCC1 ZINC000649269452 393280943 /nfs/dbraw/zinc/28/09/43/393280943.db2.gz BFNUZCSZWYEPKD-CYBMUJFWSA-N 2 0 267.417 1.639 10 0 CDAERP O=C(Nc1nccs1)[C@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000178978978 140011137 /nfs/dbraw/zinc/01/11/37/140011137.db2.gz GACSDGZFLJEHGP-GFCCVEGCSA-N 2 0 294.424 1.546 10 0 CDAERP C[C@@H]([NH3+])c1ccc(NC(=O)[C@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000188186448 140089932 /nfs/dbraw/zinc/08/99/32/140089932.db2.gz JLIXFNXHORQMGJ-UBHAPETDSA-N 2 0 251.305 1.345 10 0 CDAERP C[C@@H]1C(=O)NCCCN1CCC[NH+]1CCCCC1 ZINC000189314538 140112085 /nfs/dbraw/zinc/11/20/85/140112085.db2.gz NDYODILXSHZZIR-CYBMUJFWSA-N 2 0 253.390 1.073 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CCC1CC[NH2+]CC1 ZINC000251925987 140315868 /nfs/dbraw/zinc/31/58/68/140315868.db2.gz YIPMYQBGFDSOON-ZBFHGGJFSA-N 2 0 293.455 1.851 10 0 CDAERP [NH3+][C@@H](C(=O)NC1[C@@H]2CCC[C@H]1CC([NH3+])C2)c1ccccc1 ZINC000261678637 140374863 /nfs/dbraw/zinc/37/48/63/140374863.db2.gz QEJZOFRWAAXZDA-WJTFHPDPSA-N 2 0 287.407 1.709 10 0 CDAERP C[NH2+][C@H]1CCN(C(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000334937828 140593456 /nfs/dbraw/zinc/59/34/56/140593456.db2.gz XRZUHQNIWSEAMS-LBPRGKRZSA-N 2 0 268.405 1.041 10 0 CDAERP CC(C)C[NH+]1CCC(NC(=O)N(C)CC2C[NH+](C)C2)CC1 ZINC000660380201 413088461 /nfs/dbraw/zinc/08/84/61/413088461.db2.gz YENKFRRBQFEEKR-UHFFFAOYSA-N 2 0 296.459 1.310 10 0 CDAERP CC[C@H]([NH3+])CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000669503400 483321257 /nfs/dbraw/zinc/32/12/57/483321257.db2.gz HCEDMRBHGVYJJS-WODVXLOZSA-N 2 0 268.405 1.038 10 0 CDAERP COCC1(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])CC1 ZINC000656200328 413098629 /nfs/dbraw/zinc/09/86/29/413098629.db2.gz LSVDVVILLKQKBD-ZFWWWQNUSA-N 2 0 262.397 1.961 10 0 CDAERP C[NH2+]CCCN(C)C(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662576939 413146164 /nfs/dbraw/zinc/14/61/64/413146164.db2.gz YGRYKEZCMKBQGP-AWEZNQCLSA-N 2 0 261.369 1.289 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000649488596 397766388 /nfs/dbraw/zinc/76/63/88/397766388.db2.gz SLVRLMNUCZLHKN-MRXNPFEDSA-N 2 0 265.445 1.888 10 0 CDAERP CC[C@@H]1C[N@H+](C)CCN1C(=O)NCCC[NH+](C)CC(C)C ZINC000651196938 397875757 /nfs/dbraw/zinc/87/57/57/397875757.db2.gz RVWZLYWHBSGYMI-OAHLLOKOSA-N 2 0 298.475 1.700 10 0 CDAERP CC(C)C[C@@H]([NH3+])C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000037001318 398053554 /nfs/dbraw/zinc/05/35/54/398053554.db2.gz CORVATHGYLQJEV-CHWSQXEVSA-N 2 0 257.422 1.452 10 0 CDAERP CN(CC[NH2+]CC1CCC1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001663992932 1172797756 /nfs/dbraw/zinc/79/77/56/1172797756.db2.gz PIJJEMNNEDPJIS-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@@H](F)C[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001663996488 1172799215 /nfs/dbraw/zinc/79/92/15/1172799215.db2.gz WJKQPGGZJCSIDG-OLZOCXBDSA-N 2 0 275.412 1.369 10 0 CDAERP [NH3+]C1(C(=O)N2CCC[N@@H+](C3CC3)CC2)Cc2ccccc2C1 ZINC000178747196 148084121 /nfs/dbraw/zinc/08/41/21/148084121.db2.gz SOIFXDPNTXGZMU-UHFFFAOYSA-N 2 0 299.418 1.179 10 0 CDAERP C[C@H]1C[C@@H](N(C)C(=O)CCCCCC[NH3+])CC[N@@H+]1C ZINC000178815324 148090030 /nfs/dbraw/zinc/09/00/30/148090030.db2.gz XKYVDVPCIWWHQV-KBPBESRZSA-N 2 0 269.433 1.837 10 0 CDAERP c1cn(CCC[N@@H+]2CC[C@H](Oc3cccnc3)C2)cn1 ZINC000183187199 148288990 /nfs/dbraw/zinc/28/89/90/148288990.db2.gz PJVZKRJDDBEMGR-HNNXBMFYSA-N 2 0 272.352 1.822 10 0 CDAERP Cc1ccn(C2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)n1 ZINC000262097050 149016760 /nfs/dbraw/zinc/01/67/60/149016760.db2.gz VFYJWWIKBNJZCN-HNNXBMFYSA-N 2 0 262.401 1.828 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCCC[NH+]2CCCCCC2)CC[NH2+]1 ZINC000262375055 149054676 /nfs/dbraw/zinc/05/46/76/149054676.db2.gz MTNCUSPUSMOYKD-GJZGRUSLSA-N 2 0 281.444 1.757 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N[C@H](C[NH3+])C2CCCCC2)cc1 ZINC000262459650 149065537 /nfs/dbraw/zinc/06/55/37/149065537.db2.gz VHCBSUAKIHSSMN-OAHLLOKOSA-N 2 0 275.396 1.783 10 0 CDAERP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc2c(c1)ncn2C ZINC000334859343 150001690 /nfs/dbraw/zinc/00/16/90/150001690.db2.gz YQNSZCQBOPNXPS-WCQYABFASA-N 2 0 258.369 1.661 10 0 CDAERP O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1ccc2c[nH+]cn2c1 ZINC000335030095 150205843 /nfs/dbraw/zinc/20/58/43/150205843.db2.gz AITXEWWZRNQWNX-LLVKDONJSA-N 2 0 280.278 1.061 10 0 CDAERP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000335049988 150230072 /nfs/dbraw/zinc/23/00/72/150230072.db2.gz BRRDLKJWTVSNBP-CXAGYDPISA-N 2 0 287.407 1.922 10 0 CDAERP CN1CC[C@H](NC(=O)C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000335055771 150237983 /nfs/dbraw/zinc/23/79/83/150237983.db2.gz YMQCBVDYZUDHHM-WCQYABFASA-N 2 0 285.750 1.299 10 0 CDAERP CC[N@H+](CCNC(=O)N(C)[C@H]1CC[NH+](C2CC2)C1)C1CC1 ZINC000350089017 154324359 /nfs/dbraw/zinc/32/43/59/154324359.db2.gz OTUHPFUEVSTMNJ-HNNXBMFYSA-N 2 0 294.443 1.349 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1C[C@H]([NH3+])C1)C1CCCCC1 ZINC000662681265 413302758 /nfs/dbraw/zinc/30/27/58/413302758.db2.gz XXOHHCDJDDDKAM-HAQNSBGRSA-N 2 0 253.390 1.104 10 0 CDAERP CC(C)C[C@@H]([NH3+])C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000662688426 413315651 /nfs/dbraw/zinc/31/56/51/413315651.db2.gz PDGZXVYWYGBPFV-CABCVRRESA-N 2 0 291.395 1.659 10 0 CDAERP CCN(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[C@H]1CC[N@H+](C)C1 ZINC000664370045 413322123 /nfs/dbraw/zinc/32/21/23/413322123.db2.gz YQFPZLSZALZTNM-KBPBESRZSA-N 2 0 298.475 1.698 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662702024 413349208 /nfs/dbraw/zinc/34/92/08/413349208.db2.gz VFYSBCUTLFKAMJ-UHFFFAOYSA-N 2 0 282.388 1.330 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(C)CC1C[NH+](C)C1 ZINC000660659100 413348037 /nfs/dbraw/zinc/34/80/37/413348037.db2.gz MVSHJXWLBCQKRI-OAHLLOKOSA-N 2 0 296.459 1.454 10 0 CDAERP CCC[NH+]1CCC([NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)CC1 ZINC000362252322 159107006 /nfs/dbraw/zinc/10/70/06/159107006.db2.gz BMPMCJNPZSMGQI-BPLDGKMQSA-N 2 0 279.428 1.460 10 0 CDAERP C[N@@H+]1CCC[C@H]1CC[NH2+]C1(CO)Cc2ccccc2C1 ZINC000372425270 160120114 /nfs/dbraw/zinc/12/01/14/160120114.db2.gz LYLUAIFTLYXAGZ-INIZCTEOSA-N 2 0 274.408 1.590 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C(=O)N2CCC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000373039614 160167610 /nfs/dbraw/zinc/16/76/10/160167610.db2.gz JDLKLBASDKVAPB-ZNMIVQPWSA-N 2 0 279.428 1.591 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C2([NH3+])CC3(CCC3)C2)C1 ZINC000662747668 413419883 /nfs/dbraw/zinc/41/98/83/413419883.db2.gz AWWNVBDEWQVHBG-AWEZNQCLSA-N 2 0 293.455 1.838 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)C2([NH2+]C3CC3)CCC2)C[N@@H+]1C1CC1 ZINC000662754061 413430932 /nfs/dbraw/zinc/43/09/32/413430932.db2.gz CGTMPSWAYDZRME-DGCLKSJQSA-N 2 0 277.412 1.403 10 0 CDAERP [NH3+]C1(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)CC2(CCC2)C1 ZINC000662761981 413451648 /nfs/dbraw/zinc/45/16/48/413451648.db2.gz REUVHJXRFSIUHT-KBPBESRZSA-N 2 0 291.439 1.639 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCN[C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422731296 287013752 /nfs/dbraw/zinc/01/37/52/287013752.db2.gz NKRYLAXYWNULFU-ZACQAIPSSA-N 2 0 295.471 1.608 10 0 CDAERP C[NH2+][C@H]1CCCN(C(=O)[C@@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000261777874 165051754 /nfs/dbraw/zinc/05/17/54/165051754.db2.gz SBROOCOQYXJPQZ-KBPBESRZSA-N 2 0 279.359 1.078 10 0 CDAERP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)C(=O)NC(C)C ZINC000020304566 171141385 /nfs/dbraw/zinc/14/13/85/171141385.db2.gz OBXSROHJGQGJFS-KBPBESRZSA-N 2 0 271.449 2.000 10 0 CDAERP [NH3+]Cc1ccc(NC(=O)CCC[NH+]2CCCC2)cc1 ZINC000022152271 171359623 /nfs/dbraw/zinc/35/96/23/171359623.db2.gz HYVKIJDSDLCEGA-UHFFFAOYSA-N 2 0 261.369 1.960 10 0 CDAERP C[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(C[NH3+])c2)C[C@H](C)O1 ZINC000022155211 171362101 /nfs/dbraw/zinc/36/21/01/171362101.db2.gz RLFMJJMYKYTAQD-BETUJISGSA-N 2 0 291.395 1.583 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)C1CC[NH+](C)CC1 ZINC000653214517 412144118 /nfs/dbraw/zinc/14/41/18/412144118.db2.gz YKDQUNJFPDWIKR-UHFFFAOYSA-N 2 0 275.396 1.364 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC1(C[NH3+])CC1 ZINC000653220593 412146016 /nfs/dbraw/zinc/14/60/16/412146016.db2.gz OLCPNRLBXMRJHQ-GFCCVEGCSA-N 2 0 253.390 1.106 10 0 CDAERP C[NH+](C)Cc1ccsc1C(=O)NCCC1(C[NH3+])CC1 ZINC000653221472 412147709 /nfs/dbraw/zinc/14/77/09/412147709.db2.gz YJYKSQVNUDIELW-UHFFFAOYSA-N 2 0 281.425 1.669 10 0 CDAERP O=C(N1CCC[C@@]2(CC[NH2+]C2)C1)C1([NH2+]C2CC2)CCC1 ZINC000662779150 413484400 /nfs/dbraw/zinc/48/44/00/413484400.db2.gz QBORFTDZGKGMQT-HNNXBMFYSA-N 2 0 277.412 1.263 10 0 CDAERP O=C(N[C@H]1CC[NH2+]C12CCCC2)c1cccc2c1C[NH2+]C2 ZINC000662824371 413554536 /nfs/dbraw/zinc/55/45/36/413554536.db2.gz LAOPKQFDVLORFL-HNNXBMFYSA-N 2 0 285.391 1.694 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000660834996 413538424 /nfs/dbraw/zinc/53/84/24/413538424.db2.gz CPJQMFXINMVWHE-ZIAGYGMSSA-N 2 0 298.475 1.889 10 0 CDAERP O=C(N1CCC2(CC[NH2+]2)CC1)C1([NH2+]C2CC2)CCC1 ZINC000662817876 413540633 /nfs/dbraw/zinc/54/06/33/413540633.db2.gz LMOXZIZJMVLMCJ-UHFFFAOYSA-N 2 0 263.385 1.016 10 0 CDAERP C[C@H](CNC(=O)N(C)CC1C[NH+](C)C1)[NH+]1CCC(C)CC1 ZINC000660846845 413566645 /nfs/dbraw/zinc/56/66/45/413566645.db2.gz JRSXMXCVUAUSNN-CQSZACIVSA-N 2 0 296.459 1.310 10 0 CDAERP O[C@@H](C[NH2+]CCc1ccnc2ccccc12)C[NH+]1CCCC1 ZINC000656706004 413580396 /nfs/dbraw/zinc/58/03/96/413580396.db2.gz MUAIPEWJRMVERH-INIZCTEOSA-N 2 0 299.418 1.824 10 0 CDAERP CCO[C@@H]1C[N@H+](C[C@@H]2CCOc3ccccc32)C[C@H]1C[NH3+] ZINC000405425850 413585486 /nfs/dbraw/zinc/58/54/86/413585486.db2.gz GGPGXVKZEJSJDB-JJRVBVJISA-N 2 0 290.407 1.848 10 0 CDAERP CCO[C@@H]1CN(Cc2c(C)nn(CC)c2C)C[C@H]1C[NH3+] ZINC000405447731 413592280 /nfs/dbraw/zinc/59/22/80/413592280.db2.gz NCPBQXKIEMQLDL-UKRRQHHQSA-N 2 0 280.416 1.315 10 0 CDAERP CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000662885701 413653440 /nfs/dbraw/zinc/65/34/40/413653440.db2.gz VDESXRUIHZNQDH-UGFHNGPFSA-N 2 0 291.395 1.659 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN(C)CC(C)(C)[NH3+] ZINC000656786113 413665090 /nfs/dbraw/zinc/66/50/90/413665090.db2.gz VSDKVVMJVIHXQA-UHFFFAOYSA-N 2 0 273.384 1.745 10 0 CDAERP CN1c2ccccc2C[C@@H]([NH2+]C2CCC([NH3+])CC2)C1=O ZINC000656787840 413669365 /nfs/dbraw/zinc/66/93/65/413669365.db2.gz XCYZEGDGXHCWRM-JXQTWKCFSA-N 2 0 273.380 1.434 10 0 CDAERP C[NH+](C)C1CCN(Cc2ccc(C(N)=[NH2+])cc2)CC1 ZINC000036192287 172503598 /nfs/dbraw/zinc/50/35/98/172503598.db2.gz SXWKAYISDLHMKF-UHFFFAOYSA-N 2 0 260.385 1.497 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000662925145 413707571 /nfs/dbraw/zinc/70/75/71/413707571.db2.gz NMQZNUAQVGVACW-DGAVXFQQSA-N 2 0 267.417 1.397 10 0 CDAERP CC(C)[C@H](C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)[C@@H](C)[NH3+] ZINC000662973782 413764941 /nfs/dbraw/zinc/76/49/41/413764941.db2.gz WANNUEUQVNAFNQ-ILXRZTDVSA-N 2 0 299.459 1.175 10 0 CDAERP O=C(NCCC[NH+]1CCCC1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407318632 413929012 /nfs/dbraw/zinc/92/90/12/413929012.db2.gz QHZBCWSFTCVGHV-KBPBESRZSA-N 2 0 265.401 1.119 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)NCC[C@H](C)[NH+](C)C ZINC000665217384 413946370 /nfs/dbraw/zinc/94/63/70/413946370.db2.gz HUYQPYAZIMEBGV-AWEZNQCLSA-N 2 0 286.464 1.604 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCc2cc(N)ccc21 ZINC000665273466 414006195 /nfs/dbraw/zinc/00/61/95/414006195.db2.gz XPLKSGVWQCZJRO-MZORAGNBSA-N 2 0 275.396 1.598 10 0 CDAERP Cc1cncc(CC[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])n1 ZINC000665274570 414011458 /nfs/dbraw/zinc/01/14/58/414011458.db2.gz SWFDGPKIYHXGRN-YOEHRIQHSA-N 2 0 284.407 1.876 10 0 CDAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NCC12CC(C1)C[NH2+]2 ZINC000665279694 414015715 /nfs/dbraw/zinc/01/57/15/414015715.db2.gz JXWDQFBCTCGDLC-IFVKIFKYSA-N 2 0 299.418 1.584 10 0 CDAERP CC(=O)NCc1ccc(C[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000665234817 413963884 /nfs/dbraw/zinc/96/38/84/413963884.db2.gz KMPZCFKSWGEIPV-LLVKDONJSA-N 2 0 261.369 1.020 10 0 CDAERP Cc1ccncc1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000665238751 413966970 /nfs/dbraw/zinc/96/69/70/413966970.db2.gz CUUVVVSLHXASFM-ARFHVFGLSA-N 2 0 259.397 1.910 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000665240442 413973113 /nfs/dbraw/zinc/97/31/13/413973113.db2.gz LEXHPYFBGAFKQR-VBQJREDUSA-N 3 0 291.439 1.469 10 0 CDAERP [NH3+]C1(CNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CCCC1 ZINC000659575235 413990149 /nfs/dbraw/zinc/99/01/49/413990149.db2.gz KLWFKJOWNVQNAX-AWEZNQCLSA-N 2 0 280.416 1.043 10 0 CDAERP CC[NH+]1CCC(C[NH3+])(N(C)[C@@H]2CCSC2)CC1 ZINC000037174587 173009635 /nfs/dbraw/zinc/00/96/35/173009635.db2.gz KZQHQEWPANFPPC-GFCCVEGCSA-N 2 0 257.447 1.237 10 0 CDAERP O=C(C[NH2+]C1CCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000037396115 173176867 /nfs/dbraw/zinc/17/68/67/173176867.db2.gz YQRCEOXWZJGUMX-UHFFFAOYSA-N 2 0 265.401 1.262 10 0 CDAERP CC[C@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(CC)CC2)CO1 ZINC000657307469 414160380 /nfs/dbraw/zinc/16/03/80/414160380.db2.gz GSBWNSCZMMAYFA-CVEARBPZSA-N 2 0 283.460 1.561 10 0 CDAERP C[NH+](C)CCC1CC[NH+](C[C@]2(O)CCCOC2)CC1 ZINC000659853654 414185660 /nfs/dbraw/zinc/18/56/60/414185660.db2.gz UZRVGTSBTMVRLY-OAHLLOKOSA-N 2 0 270.417 1.192 10 0 CDAERP C[C@@H](C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)C1CCCCC1 ZINC000663370253 414189852 /nfs/dbraw/zinc/18/98/52/414189852.db2.gz OBOKIVGGTVQYOP-RDJZCZTQSA-N 2 0 297.487 1.401 10 0 CDAERP CCN(C(=O)NC1CC[NH+](C(C)C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000663446914 414257482 /nfs/dbraw/zinc/25/74/82/414257482.db2.gz QOILGYCIPQHWSV-OAHLLOKOSA-N 2 0 296.459 1.595 10 0 CDAERP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccc2c(c1)nnn2C ZINC000663498652 414297282 /nfs/dbraw/zinc/29/72/82/414297282.db2.gz QYDHBFSLZZLRRT-GFCCVEGCSA-N 2 0 261.373 1.431 10 0 CDAERP OC1CC(CC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657449935 414337497 /nfs/dbraw/zinc/33/74/97/414337497.db2.gz FTNFTUSJIRMSMI-UHFFFAOYSA-N 2 0 272.352 1.518 10 0 CDAERP CN(CCC[NH+](C)C)CCNC(=O)NCC1CCCC1 ZINC000663701346 414416992 /nfs/dbraw/zinc/41/69/92/414416992.db2.gz MLHUIJXVHKDESI-UHFFFAOYSA-N 2 0 284.448 1.359 10 0 CDAERP C[C@@H]1C[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)C[C@@H](C)S1 ZINC000662255444 414589183 /nfs/dbraw/zinc/58/91/83/414589183.db2.gz YOZPPLWZVTUYLU-IJLUTSLNSA-N 2 0 256.415 1.333 10 0 CDAERP CO[C@H](C[N@H+](C)CCN1CC[NH2+]CC1)C1CCCC1 ZINC000662244751 414583226 /nfs/dbraw/zinc/58/32/26/414583226.db2.gz GXEOSIGPXDNUDX-OAHLLOKOSA-N 2 0 269.433 1.029 10 0 CDAERP CCc1ccc([C@@H](C)[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000038031101 174025013 /nfs/dbraw/zinc/02/50/13/174025013.db2.gz RBYSTWDSTIGBNO-CQSZACIVSA-N 2 0 289.423 1.674 10 0 CDAERP CC[NH+]1CCC([C@@H](C)[NH2+]C[C@H]2CCS(=O)(=O)C2)CC1 ZINC000038083218 174092864 /nfs/dbraw/zinc/09/28/64/174092864.db2.gz XAVWYRKORXOCBB-CHWSQXEVSA-N 2 0 288.457 1.131 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)C2([NH3+])CCCC2)CC1 ZINC000038100793 174115699 /nfs/dbraw/zinc/11/56/99/174115699.db2.gz IVQGBCVBULOWCA-UHFFFAOYSA-N 2 0 267.417 1.591 10 0 CDAERP C[NH+](C)CCC[C@H]1C[N@@H+]([C@@H]2CCCC[C@H]2O)CCO1 ZINC000662321802 414640262 /nfs/dbraw/zinc/64/02/62/414640262.db2.gz JMHNYVRMNHTSAJ-RRFJBIMHSA-N 2 0 270.417 1.333 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000040503573 174300619 /nfs/dbraw/zinc/30/06/19/174300619.db2.gz OVZIUKVDQMPOCJ-XGUBFFRZSA-N 2 0 279.428 1.508 10 0 CDAERP CC(C)C[C@@H](CNC(=O)C[NH2+]C1CCCC1)[NH+](C)C ZINC000040831375 174413522 /nfs/dbraw/zinc/41/35/22/174413522.db2.gz NEVBSXNEXTWERX-AWEZNQCLSA-N 2 0 269.433 1.611 10 0 CDAERP CCC(CC)[C@@H](CNC(=O)C[NH2+]CC1CC1)[NH+](C)C ZINC000040831498 174413553 /nfs/dbraw/zinc/41/35/53/174413553.db2.gz CIBSGRGSPBXJDD-CQSZACIVSA-N 2 0 269.433 1.469 10 0 CDAERP C[NH+](C)CC1CC[NH+](Cc2cccc(C[NH3+])c2)CC1 ZINC000042391395 174706549 /nfs/dbraw/zinc/70/65/49/174706549.db2.gz REXBYZXIKBLKMH-UHFFFAOYSA-N 3 0 261.413 1.919 10 0 CDAERP C[NH+]1CCN([C@H](C[NH3+])c2ccc(Cl)c(F)c2)CC1 ZINC000043390111 175033521 /nfs/dbraw/zinc/03/35/21/175033521.db2.gz REJLHQVLJCGXFW-CYBMUJFWSA-N 2 0 271.767 1.726 10 0 CDAERP CC(C)CN(CCC[NH+]1CCCC1)CCC(N)=[NH2+] ZINC000043423005 175039439 /nfs/dbraw/zinc/03/94/39/175039439.db2.gz CWGLRSCINUKAFS-UHFFFAOYSA-N 2 0 254.422 1.756 10 0 CDAERP C[C@@H](C(=O)NC1CC[NH2+]CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000043559872 175065660 /nfs/dbraw/zinc/06/56/60/175065660.db2.gz JRGXVEGQYHFSHW-TUAOUCFPSA-N 2 0 253.390 1.116 10 0 CDAERP CC[NH2+][C@H]1CCCCCC[C@@H]1N1CC[NH+](C)CC1 ZINC000043810725 175110253 /nfs/dbraw/zinc/11/02/53/175110253.db2.gz KWLZMYOTHUMTDM-GJZGRUSLSA-N 2 0 253.434 1.935 10 0 CDAERP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N1CCC[N@H+](C)CC1 ZINC000043818312 175113094 /nfs/dbraw/zinc/11/30/94/175113094.db2.gz PMUXZZKAWLOPRF-ZNMIVQPWSA-N 2 0 253.434 1.791 10 0 CDAERP C[NH2+][C@@H](CN1CCC[N@H+](C)CC1)c1cc(C)ccc1OC ZINC000043818189 175113256 /nfs/dbraw/zinc/11/32/56/175113256.db2.gz DAMAGFVOQSPUGN-INIZCTEOSA-N 2 0 291.439 1.902 10 0 CDAERP C[NH2+][C@@H]1c2ccccc2CC[C@@H]1N1CCC[N@H+](C)CC1 ZINC000043818247 175113487 /nfs/dbraw/zinc/11/34/87/175113487.db2.gz HBVRAQUJXZCJEF-DLBZAZTESA-N 2 0 273.424 1.899 10 0 CDAERP CCC[NH2+][C@H]1CCOC[C@@H]1N1CCC([NH+](C)C)CC1 ZINC000043897575 175120751 /nfs/dbraw/zinc/12/07/51/175120751.db2.gz ZPHURXHMWORJQW-GJZGRUSLSA-N 2 0 269.433 1.170 10 0 CDAERP CC[NH2+][C@H]1CCC2(C[C@H]1[N@@H+]1CCC[C@@H]1C)OCCO2 ZINC000043903303 175122901 /nfs/dbraw/zinc/12/29/01/175122901.db2.gz OHNQYUKVRMXMQT-MELADBBJSA-N 2 0 268.401 1.744 10 0 CDAERP CCC[NH2+]CCN1CCC([NH+]2CCCCC2)CC1 ZINC000044381169 175169237 /nfs/dbraw/zinc/16/92/37/175169237.db2.gz GJRVNJRXBNNUSK-UHFFFAOYSA-N 2 0 253.434 1.936 10 0 CDAERP C[C@H](NC[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCC[NH+](C)C1 ZINC000044534017 175197219 /nfs/dbraw/zinc/19/72/19/175197219.db2.gz KBHVMEWTHLXXLV-SOUVJXGZSA-N 2 0 253.434 1.648 10 0 CDAERP CC1CCC(OC[C@@H](O)C[NH2+]C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000044536336 175198638 /nfs/dbraw/zinc/19/86/38/175198638.db2.gz FRXNALNURRIMDT-YZUHTNEWSA-N 2 0 298.471 1.874 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H](C)CN(C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000044538721 175199488 /nfs/dbraw/zinc/19/94/88/175199488.db2.gz JIXQVRAMDYMELH-QLFBSQMISA-N 2 0 253.434 1.506 10 0 CDAERP CCC[NH2+]CC(=O)NC[C@H](C(CC)CC)[NH+](C)C ZINC000044651333 175224778 /nfs/dbraw/zinc/22/47/78/175224778.db2.gz OWXOYJLQPXLWOF-CYBMUJFWSA-N 2 0 257.422 1.469 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044683754 175230623 /nfs/dbraw/zinc/23/06/23/175230623.db2.gz RVPHOKCIRPGXIB-CYBMUJFWSA-N 2 0 259.353 1.112 10 0 CDAERP C[C@H](C[NH+]1CCCC1)NC(=O)C1(C[NH3+])CCCCC1 ZINC000044763642 175247446 /nfs/dbraw/zinc/24/74/46/175247446.db2.gz HPIUWDSNGZYEIP-CYBMUJFWSA-N 2 0 267.417 1.496 10 0 CDAERP CCC[NH+]1CCC(NC(=O)C2(C[NH3+])CCCCC2)CC1 ZINC000044763810 175247785 /nfs/dbraw/zinc/24/77/85/175247785.db2.gz DAZIIDVWYGPINT-UHFFFAOYSA-N 2 0 281.444 1.886 10 0 CDAERP CC[NH+](CC)C[C@H](O)CNC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000045134844 175312607 /nfs/dbraw/zinc/31/26/07/175312607.db2.gz LGJCXFQOFPWMPS-HUUCEWRRSA-N 2 0 271.449 1.009 10 0 CDAERP CC[NH+](CC)C[C@@H](O)CNC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000045134843 175312915 /nfs/dbraw/zinc/31/29/15/175312915.db2.gz LGJCXFQOFPWMPS-GJZGRUSLSA-N 2 0 271.449 1.009 10 0 CDAERP CCCC[N@H+](CC)CCC[C@](C)([NH2+]CC)C(N)=O ZINC000045370706 175364501 /nfs/dbraw/zinc/36/45/01/175364501.db2.gz PGWJVHOLMMHEHY-AWEZNQCLSA-N 2 0 257.422 1.742 10 0 CDAERP CC[N@H+](CCC[C@](C)([NH2+]C)C(N)=O)C1CCCCC1 ZINC000045372428 175364641 /nfs/dbraw/zinc/36/46/41/175364641.db2.gz BPNAOOBDJKHKDR-HNNXBMFYSA-N 2 0 269.433 1.885 10 0 CDAERP CC[N@H+](CCC[C@@](C)([NH2+]C(C)C)C(N)=O)C(C)C ZINC000045383892 175371331 /nfs/dbraw/zinc/37/13/31/175371331.db2.gz VWCZSZXVFHXUJJ-CQSZACIVSA-N 2 0 257.422 1.739 10 0 CDAERP CC[NH2+][C@@](C)(CCCC[NH+]1CCC(OC)CC1)C(N)=O ZINC000045389035 175373949 /nfs/dbraw/zinc/37/39/49/175373949.db2.gz XQLSYFSRYWRJFV-HNNXBMFYSA-N 2 0 285.432 1.121 10 0 CDAERP CCOC1CC[NH+](CCCC[C@](C)([NH2+]C)C(N)=O)CC1 ZINC000045420121 175378521 /nfs/dbraw/zinc/37/85/21/175378521.db2.gz FJMLTWNVWJFEDC-HNNXBMFYSA-N 2 0 285.432 1.121 10 0 CDAERP C[C@H]1C[NH2+]CC[C@@H]1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000070489234 175955073 /nfs/dbraw/zinc/95/50/73/175955073.db2.gz QGGFWPQZYRPZHS-KKUMJFAQSA-N 2 0 251.418 1.545 10 0 CDAERP CC1CC[NH+](CCCNC(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000070577571 175992958 /nfs/dbraw/zinc/99/29/58/175992958.db2.gz VGDQKJGNICPMAZ-GJZGRUSLSA-N 2 0 281.444 1.742 10 0 CDAERP CCC[NH2+][C@@H]1CCCN([C@H](CC(C)C)C[NH+](C)C)C1=O ZINC000071031992 176023249 /nfs/dbraw/zinc/02/32/49/176023249.db2.gz VYJOUISTYMYNHB-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP CCC[NH2+][C@@H]1CCN(CC[NH+]2CCCCC2)C1=O ZINC000071032241 176023268 /nfs/dbraw/zinc/02/32/68/176023268.db2.gz AFGVZSYHAAGAOO-CYBMUJFWSA-N 2 0 253.390 1.073 10 0 CDAERP C[NH2+]C[C@H]1CC[N@H+](C[C@@H]2COC3(CCCC3)O2)C1 ZINC000071145668 176042180 /nfs/dbraw/zinc/04/21/80/176042180.db2.gz OKEBHKYKTRWNQY-CHWSQXEVSA-N 2 0 254.374 1.213 10 0 CDAERP CN(C[C@H]1CC[N@H+](C)C1)[C@@H](C[NH3+])c1ccsc1 ZINC000071187886 176061992 /nfs/dbraw/zinc/06/19/92/176061992.db2.gz OECOAZOSVZADPS-AAEUAGOBSA-N 2 0 253.415 1.631 10 0 CDAERP COc1ccc([C@@H]([NH3+])[C@H](C)N(C)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000071188718 176063393 /nfs/dbraw/zinc/06/33/93/176063393.db2.gz HGGMEIFKANIBPK-VBQJREDUSA-N 2 0 291.439 1.967 10 0 CDAERP CC[C@@H]1CC[C@@H]([NH3+])[C@H](N(C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071188700 176063442 /nfs/dbraw/zinc/06/34/42/176063442.db2.gz UXNZCZFFWMWSLN-KBUPBQIOSA-N 2 0 253.434 1.776 10 0 CDAERP C[NH2+]Cc1cnc(N(C)C[C@@H]2CC[N@H+](C)C2)c(Cl)c1 ZINC000071191672 176071056 /nfs/dbraw/zinc/07/10/56/176071056.db2.gz DQPFTVMROISZTG-LLVKDONJSA-N 2 0 282.819 1.842 10 0 CDAERP C[NH2+]Cc1ccoc1CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191880 176071500 /nfs/dbraw/zinc/07/15/00/176071500.db2.gz IAQDQBBVKFOLML-GFCCVEGCSA-N 2 0 251.374 1.383 10 0 CDAERP CC[NH2+]Cc1nc(CN(C)C[C@@H]2CC[N@H+](C)C2)cs1 ZINC000071192010 176072351 /nfs/dbraw/zinc/07/23/51/176072351.db2.gz AQHLBFIAUQQUOW-GFCCVEGCSA-N 2 0 282.457 1.636 10 0 CDAERP C[C@@H](C[NH2+]C1CCCC1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192184 176073267 /nfs/dbraw/zinc/07/32/67/176073267.db2.gz HPMKJBJSMMPGQV-UONOGXRCSA-N 2 0 253.434 1.791 10 0 CDAERP C[C@H]1CCC[C@@H](C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)[C@@H]1[NH3+] ZINC000071193276 176075570 /nfs/dbraw/zinc/07/55/70/176075570.db2.gz HTZZBZSDOYZENR-REWJHTLYSA-N 2 0 267.417 1.160 10 0 CDAERP C[NH+]1CCC(CN2CCC[C@H]([NH2+]C3CC3)C2)CC1 ZINC000071201206 176077783 /nfs/dbraw/zinc/07/77/83/176077783.db2.gz CZWIBPNSADSULU-HNNXBMFYSA-N 2 0 251.418 1.545 10 0 CDAERP COCC[N@H+](CCC[NH3+])CCCOCC(F)(F)F ZINC000071224562 176088574 /nfs/dbraw/zinc/08/85/74/176088574.db2.gz FXUXJBSAQYKFNY-UHFFFAOYSA-N 2 0 272.311 1.253 10 0 CDAERP CC(C)C[NH+]1CCN(Cc2ccc(F)cc2C(N)=[NH2+])CC1 ZINC000071268013 176101817 /nfs/dbraw/zinc/10/18/17/176101817.db2.gz CXNNYAWBCZHZSQ-UHFFFAOYSA-N 2 0 292.402 1.883 10 0 CDAERP CN([C@H]1CC[NH2+]C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000071309510 176116812 /nfs/dbraw/zinc/11/68/12/176116812.db2.gz DWPZGXGSBIHYNM-KRWDZBQOSA-N 2 0 273.424 1.945 10 0 CDAERP CC(C)(O)C[NH+]1CCN(Cc2ccc(F)cc2C[NH3+])CC1 ZINC000071380435 176144843 /nfs/dbraw/zinc/14/48/43/176144843.db2.gz XJSBUWMHUREFLP-UHFFFAOYSA-N 2 0 295.402 1.173 10 0 CDAERP CC[C@](C)(C[NH2+]C1CC1)CN1CC[NH+](CC(C)(C)O)CC1 ZINC000071381817 176145456 /nfs/dbraw/zinc/14/54/56/176145456.db2.gz HCOLENWPRQHIJP-QGZVFWFLSA-N 2 0 297.487 1.543 10 0 CDAERP C[NH+](C)[C@@H]1CCN(c2nc3ccccc3cc2C(N)=[NH2+])C1 ZINC000071390230 176148578 /nfs/dbraw/zinc/14/85/78/176148578.db2.gz DYDLWCMNRXKSOB-GFCCVEGCSA-N 2 0 283.379 1.659 10 0 CDAERP Cn1cc(C[N@H+](C[C@]2(O)CC[NH2+]C2)C2CCCCC2)cn1 ZINC000077376797 177260646 /nfs/dbraw/zinc/26/06/46/177260646.db2.gz FOUMXYLKWRTPNL-INIZCTEOSA-N 2 0 292.427 1.279 10 0 CDAERP CC[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC(C)C ZINC001665872048 1173078021 /nfs/dbraw/zinc/07/80/21/1173078021.db2.gz NQKZWRMGQRHOCC-KBPBESRZSA-N 2 0 269.433 1.469 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CC[C@H](C[NH3+])C1 ZINC000417527146 287390177 /nfs/dbraw/zinc/39/01/77/287390177.db2.gz DFJIWICQTFLIHU-MGPQQGTHSA-N 2 0 282.432 1.240 10 0 CDAERP COc1cccc(C[C@H](C)[NH2+]C[C@@H](O)CN(C)C2CC2)c1 ZINC000517230975 260115112 /nfs/dbraw/zinc/11/51/12/260115112.db2.gz MAEDQMYWHGEFTP-XJKSGUPXSA-N 2 0 292.423 1.671 10 0 CDAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1cn(C)cn1 ZINC000313276700 260275972 /nfs/dbraw/zinc/27/59/72/260275972.db2.gz YWYFLJGZWJSLFW-ZIAGYGMSSA-N 2 0 264.417 1.863 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCC[NH+]2CCCCC2)C1 ZINC000653477585 423840937 /nfs/dbraw/zinc/84/09/37/423840937.db2.gz VKKVYKDETPIJFN-OKILXGFUSA-N 2 0 282.432 1.112 10 0 CDAERP CCN(C(=O)NCCC[NH+]1CCCCC1)[C@@H]1CC[N@H+](C)C1 ZINC000663499753 423888598 /nfs/dbraw/zinc/88/85/98/423888598.db2.gz LYBJETCCYPMGDF-OAHLLOKOSA-N 2 0 296.459 1.598 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)[C@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000655445981 423859096 /nfs/dbraw/zinc/85/90/96/423859096.db2.gz WFFQOFKCBSJBGS-WBVHZDCISA-N 2 0 293.455 1.614 10 0 CDAERP C[C@@H]1CCC[N@H+](CCO[C@H]2CC2(F)F)[C@@H]1CC[NH3+] ZINC000662287270 423915293 /nfs/dbraw/zinc/91/52/93/423915293.db2.gz XKCVNOAUJAECHM-UTUOFQBUSA-N 2 0 262.344 1.860 10 0 CDAERP CS(=O)(=O)CCC[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662292637 423920086 /nfs/dbraw/zinc/92/00/86/423920086.db2.gz GPSZBXQYKAVBBV-CQSZACIVSA-N 2 0 288.457 1.133 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)NC(=O)NCCC1(C[NH3+])CC1 ZINC000652193520 424015039 /nfs/dbraw/zinc/01/50/39/424015039.db2.gz LRRFAQDIZGUFLO-ZDUSSCGKSA-N 2 0 284.448 1.535 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)NCC1=CC[NH2+]CC1 ZINC000652214028 424065136 /nfs/dbraw/zinc/06/51/36/424065136.db2.gz QMARWVFFJFWGKL-UHFFFAOYSA-N 2 0 288.395 1.125 10 0 CDAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N(C)CC[NH+]1CCCCC1 ZINC000652214660 424070867 /nfs/dbraw/zinc/07/08/67/424070867.db2.gz MQHFOLNDDFOAIV-UONOGXRCSA-N 2 0 282.432 1.112 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N(C)C1CC[NH2+]CC1 ZINC000652225092 424083503 /nfs/dbraw/zinc/08/35/03/424083503.db2.gz PQXNNDOENSVBEH-UHFFFAOYSA-N 2 0 284.448 1.358 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000652207395 424034216 /nfs/dbraw/zinc/03/42/16/424034216.db2.gz JNNDQBGYAZLHJK-CABCVRRESA-N 2 0 298.475 1.781 10 0 CDAERP O=C(NCC[NH2+]C1CCCCCC1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653053622 424177505 /nfs/dbraw/zinc/17/75/05/424177505.db2.gz VZJAXDSHLVTDEC-JKSUJKDBSA-N 2 0 293.455 1.946 10 0 CDAERP C[N@H+](Cc1cn[nH]c1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652339182 424255112 /nfs/dbraw/zinc/25/51/12/424255112.db2.gz GPBGKIQZBVXPNX-UHFFFAOYSA-N 2 0 256.353 1.687 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)CC1([NH3+])CC1)c1cccc(F)c1 ZINC000662662620 424285938 /nfs/dbraw/zinc/28/59/38/424285938.db2.gz IHMTULQRXBWVFR-ZDUSSCGKSA-N 2 0 279.359 1.426 10 0 CDAERP COCCCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652363093 424315014 /nfs/dbraw/zinc/31/50/14/424315014.db2.gz XPCUENRSRAJRGK-ZNMIVQPWSA-N 2 0 270.417 1.774 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000664718705 424325018 /nfs/dbraw/zinc/32/50/18/424325018.db2.gz IGNRIUHHKFORJL-CJNGLKHVSA-N 2 0 281.444 1.613 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000653132858 424339735 /nfs/dbraw/zinc/33/97/35/424339735.db2.gz GTPSTKZWSLSXBV-UHFFFAOYSA-N 2 0 295.386 1.721 10 0 CDAERP O=C([C@H]1CC[C@@H](C2CC2)[NH2+]1)N1CCC2(CC[NH2+]C2)CC1 ZINC000653143042 424368440 /nfs/dbraw/zinc/36/84/40/424368440.db2.gz BLSUELQHKUOTBF-UONOGXRCSA-N 2 0 277.412 1.119 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000659625185 424435865 /nfs/dbraw/zinc/43/58/65/424435865.db2.gz PLKSJYHJFIJULL-LSDHHAIUSA-N 2 0 296.459 1.630 10 0 CDAERP C[C@@H]1CC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CS1 ZINC000655698747 424436366 /nfs/dbraw/zinc/43/63/66/424436366.db2.gz WTUCLAWLPUUXAO-AGIUHOORSA-N 2 0 258.431 1.317 10 0 CDAERP O=C(NC1CC([NH+]2CCCCC2)C1)C1([NH2+]C2CC2)CCC1 ZINC000662794534 424483601 /nfs/dbraw/zinc/48/36/01/424483601.db2.gz RRSGFYNALSKVHI-UHFFFAOYSA-N 2 0 291.439 1.794 10 0 CDAERP C[C@@H]1CCN(C(=O)C2([NH2+]C3CC3)CCC2)C[C@@H]1C[NH3+] ZINC000662813172 424503120 /nfs/dbraw/zinc/50/31/20/424503120.db2.gz IBVNPUXNBAGJBZ-NEPJUHHUSA-N 2 0 265.401 1.104 10 0 CDAERP [NH3+]CC[C@H](NC(=O)C1([NH2+]C2CC2)CCC1)C(F)(F)F ZINC000662783124 424459491 /nfs/dbraw/zinc/45/94/91/424459491.db2.gz ISIVDFQMFLRHCT-VIFPVBQESA-N 2 0 279.306 1.057 10 0 CDAERP C[C@H](C[NH2+][C@H]1CC[C@H](C)SC1)CN1CC[NH+](C)CC1 ZINC000655709432 424461767 /nfs/dbraw/zinc/46/17/67/424461767.db2.gz ZUKUBLLZISKOFW-ILXRZTDVSA-N 2 0 285.501 1.744 10 0 CDAERP CO[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCOC1 ZINC000665234784 424469113 /nfs/dbraw/zinc/46/91/13/424469113.db2.gz KCNHEZDFWQQQFJ-KJWHEZOQSA-N 2 0 268.401 1.016 10 0 CDAERP CCCC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001667441262 1173268173 /nfs/dbraw/zinc/26/81/73/1173268173.db2.gz VXGYMYOFCGPSHY-KBPBESRZSA-N 2 0 269.433 1.611 10 0 CDAERP C[N@H+](C[C@H](O)CNC1C[C@H]2CCC[C@@H](C1)[NH+]2C)C1CC1 ZINC000312369735 270323265 /nfs/dbraw/zinc/32/32/65/270323265.db2.gz LZQNFDULQZZXNC-YPAMNDHTSA-N 2 0 281.444 1.046 10 0 CDAERP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1(CCO)CC1 ZINC000423065287 270381411 /nfs/dbraw/zinc/38/14/11/270381411.db2.gz TVJIMFZROLWPSJ-ZFWWWQNUSA-N 2 0 262.397 1.697 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](C[C@@H](O)CC2(O)CCC2)CC1 ZINC000528352661 270800836 /nfs/dbraw/zinc/80/08/36/270800836.db2.gz RHFNPUFKXMDCPH-INIZCTEOSA-N 2 0 298.471 1.706 10 0 CDAERP CC(C)(C[NH2+][C@@H]1CCC[C@H]1C[NH3+])C(=O)N1CCCC1 ZINC000530222320 271164792 /nfs/dbraw/zinc/16/47/92/271164792.db2.gz IRWWLIMAVBVKQU-QWHCGFSZSA-N 2 0 267.417 1.352 10 0 CDAERP CC(C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)N1CCCC1 ZINC000530222364 271165671 /nfs/dbraw/zinc/16/56/71/271165671.db2.gz JINULKAXZIAKHV-PBWFPOADSA-N 2 0 279.428 1.508 10 0 CDAERP CC1(C)CC(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000530227675 271170967 /nfs/dbraw/zinc/17/09/67/271170967.db2.gz UZNNRRLNDQOFGZ-CQSZACIVSA-N 2 0 251.418 1.402 10 0 CDAERP CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001668059879 1173364183 /nfs/dbraw/zinc/36/41/83/1173364183.db2.gz KRRIVMFUFZOQCX-QWHCGFSZSA-N 2 0 255.406 1.364 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000343095582 276338642 /nfs/dbraw/zinc/33/86/42/276338642.db2.gz OBHDEHICYALZCH-OLZOCXBDSA-N 2 0 287.473 1.270 10 0 CDAERP CC(C)=CC[NH2+]CC[C@@H](C)NC(=O)Cc1c[nH]cn1 ZINC001668224743 1173384427 /nfs/dbraw/zinc/38/44/27/1173384427.db2.gz WPXHOZIXOXTQFQ-GFCCVEGCSA-N 2 0 264.373 1.403 10 0 CDAERP C[N@@H+]1CCCC12CC[NH+]([C@@H]1CCCC[C@@H]1O)CC2 ZINC000336498418 277042298 /nfs/dbraw/zinc/04/22/98/277042298.db2.gz FAOXGIWWPYIHDP-KGLIPLIRSA-N 2 0 252.402 1.850 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)CC[NH2+]CC1CCC1)[NH+](C)C ZINC001668278471 1173391544 /nfs/dbraw/zinc/39/15/44/1173391544.db2.gz GTVDHVYEOHPZIR-GXTWGEPZSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000312486639 278227498 /nfs/dbraw/zinc/22/74/98/278227498.db2.gz ZPUGKUXLHQPMMX-KBPBESRZSA-N 2 0 277.416 1.553 10 0 CDAERP C[C@@H]1C[NH2+]CCN1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000334929311 278835964 /nfs/dbraw/zinc/83/59/64/278835964.db2.gz GZQNMBNAOFZPHI-GFCCVEGCSA-N 2 0 280.416 1.007 10 0 CDAERP C[C@@H]1C[N@H+](C)C[C@@H]1NC1CC[NH+](C2CCCC2)CC1 ZINC000334285938 288090063 /nfs/dbraw/zinc/09/00/63/288090063.db2.gz BZYKVCFOGGLFGB-CJNGLKHVSA-N 2 0 265.445 1.933 10 0 CDAERP CC[N@H+](CC(=O)N1C[C@H]2CCC[NH+]2C[C@H]1C)C1CC1 ZINC000246335240 279052784 /nfs/dbraw/zinc/05/27/84/279052784.db2.gz TZBBUBJKZDPZAP-TZMCWYRMSA-N 2 0 265.401 1.166 10 0 CDAERP C[C@@H]1C[N@@H+](C2CCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000336179960 288133409 /nfs/dbraw/zinc/13/34/09/288133409.db2.gz FYRIBMASENHNAG-UKRRQHHQSA-N 2 0 251.418 1.497 10 0 CDAERP CC[NH+]1CCC[C@@H](NC(=O)N[C@H]2CCC[N@@H+](CC)C2)C1 ZINC000194310982 280032351 /nfs/dbraw/zinc/03/23/51/280032351.db2.gz JZAOVSQKYBDORD-OKILXGFUSA-N 2 0 282.432 1.254 10 0 CDAERP CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261874373 281058331 /nfs/dbraw/zinc/05/83/31/281058331.db2.gz YEFNPSRBHAIBAB-QLFBSQMISA-N 2 0 281.444 1.742 10 0 CDAERP CN(CCC(=O)N1CC[NH+]2CCC1CC2)c1cc[nH+]cc1 ZINC000527308394 281123190 /nfs/dbraw/zinc/12/31/90/281123190.db2.gz KXBRWSIOPIOPAC-UHFFFAOYSA-N 2 0 288.395 1.215 10 0 CDAERP CC1(C)CN(C(=O)[C@H](C[NH3+])c2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000262159618 281206892 /nfs/dbraw/zinc/20/68/92/281206892.db2.gz XXGBEQBRIICAIY-ZIAGYGMSSA-N 2 0 293.386 1.454 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCCCCC[NH+]1CCCC1 ZINC000418209950 288321797 /nfs/dbraw/zinc/32/17/97/288321797.db2.gz CIMDOPKKCRVSHU-CABCVRRESA-N 2 0 296.459 1.550 10 0 CDAERP CCN(CC[NH2+]C[C@@H](C)O)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001668575360 1173429393 /nfs/dbraw/zinc/42/93/93/1173429393.db2.gz QPMYVBWSIGBIQX-HUUCEWRRSA-N 2 0 299.459 1.068 10 0 CDAERP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000356213859 282007204 /nfs/dbraw/zinc/00/72/04/282007204.db2.gz KEXPSQMVGLHCAT-STQMWFEESA-N 2 0 269.433 1.706 10 0 CDAERP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CCCC[NH3+] ZINC000094446985 289061055 /nfs/dbraw/zinc/06/10/55/289061055.db2.gz LNFHMKXDAMPESG-QWHCGFSZSA-N 2 0 253.390 1.201 10 0 CDAERP CC[N@@H+]1CC[C@H](NC[C@H](O)C[NH+]2CCCCC2)[C@H](C)C1 ZINC000151274533 289087677 /nfs/dbraw/zinc/08/76/77/289087677.db2.gz DKTNBOMJQSGOGU-PMPSAXMXSA-N 2 0 283.460 1.153 10 0 CDAERP C[NH+](C)CCC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000253626536 289115181 /nfs/dbraw/zinc/11/51/81/289115181.db2.gz JCTYEYNPVUVIOW-RBSFLKMASA-N 2 0 254.418 1.954 10 0 CDAERP C[NH+](C)CCOCC[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000447594062 289170164 /nfs/dbraw/zinc/17/01/64/289170164.db2.gz WTGPPVXTJSYLQL-ARFHVFGLSA-N 2 0 284.444 1.750 10 0 CDAERP C[NH+](C)C[C@H]1CCN(C(=O)NC[C@H]([NH3+])c2ccccc2)C1 ZINC000418426337 289212466 /nfs/dbraw/zinc/21/24/66/289212466.db2.gz JQJXZKLUJFRZIP-HIFRSBDPSA-N 2 0 290.411 1.280 10 0 CDAERP C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CCC3(CC[NH2+]C3)CC2)C1 ZINC000334938149 289325240 /nfs/dbraw/zinc/32/52/40/289325240.db2.gz QQLNJKCNIBVMBR-UONOGXRCSA-N 2 0 294.443 1.254 10 0 CDAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000415005269 289728638 /nfs/dbraw/zinc/72/86/38/289728638.db2.gz RJFURFFXCYYACK-FRRDWIJNSA-N 2 0 275.387 1.884 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000553498549 290122272 /nfs/dbraw/zinc/12/22/72/290122272.db2.gz QCXREILJNGXUBE-KBPBESRZSA-N 2 0 267.417 1.271 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)COCC2CC2)[C@H]2CCC[C@H]21 ZINC000353493929 290219505 /nfs/dbraw/zinc/21/95/05/290219505.db2.gz AXHNHWUNHOWWOZ-XUWVNRHRSA-N 2 0 282.428 1.236 10 0 CDAERP C[N@@H+]1C[C@@H]2CCCN(CC[NH+]3CCCCC3)[C@@H]2C1 ZINC000335108473 290280269 /nfs/dbraw/zinc/28/02/69/290280269.db2.gz MLKSDETWJPXJQE-LSDHHAIUSA-N 2 0 251.418 1.498 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCN1CCC(C)CC1 ZINC000234717887 292804449 /nfs/dbraw/zinc/80/44/49/292804449.db2.gz ZBXVSMZQJWAJKO-CQSZACIVSA-N 2 0 257.422 1.062 10 0 CDAERP Cc1c[nH+]ccc1N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000191980698 292979078 /nfs/dbraw/zinc/97/90/78/292979078.db2.gz KKYCFWSLAXWKFV-CQSZACIVSA-N 2 0 277.412 1.919 10 0 CDAERP CC[C@H]([NH2+]C[C@H]1CCCCN1CCO)C1CCOCC1 ZINC000560348550 293024637 /nfs/dbraw/zinc/02/46/37/293024637.db2.gz RVYFVHFODAZWEM-CVEARBPZSA-N 2 0 284.444 1.628 10 0 CDAERP COC[C@H](C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000174253178 293033912 /nfs/dbraw/zinc/03/39/12/293033912.db2.gz IZTSZKOBCOLUHW-HNNXBMFYSA-N 2 0 283.460 1.561 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000561171806 293057322 /nfs/dbraw/zinc/05/73/22/293057322.db2.gz QJQWIYXENIDRRJ-MJBXVCDLSA-N 2 0 282.432 1.301 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1cccc(OC)c1OC ZINC000422716238 293096823 /nfs/dbraw/zinc/09/68/23/293096823.db2.gz JVITVOMBUKRQEQ-ZDUSSCGKSA-N 2 0 282.384 1.547 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000562814625 293203644 /nfs/dbraw/zinc/20/36/44/293203644.db2.gz OLKASDOSEWUMSL-LZWOXQAQSA-N 2 0 294.443 1.289 10 0 CDAERP [NH3+]Cc1ccc(-c2noc([C@H]3CCO[C@H]3C[NH3+])n2)cc1 ZINC000563117953 293280217 /nfs/dbraw/zinc/28/02/17/293280217.db2.gz DGVYYXKCYUWFPB-RYUDHWBXSA-N 2 0 274.324 1.027 10 0 CDAERP COc1cc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc2c1OCCO2 ZINC000565480677 293620218 /nfs/dbraw/zinc/62/02/18/293620218.db2.gz HMDZKUMGUNFFAJ-GHMZBOCLSA-N 2 0 280.368 1.682 10 0 CDAERP CCC[NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001668827154 1173470002 /nfs/dbraw/zinc/47/00/02/1173470002.db2.gz FRINJZMDHQDFCA-SREVYHEPSA-N 2 0 281.444 1.923 10 0 CDAERP C[NH+]1CC[C@@H](NC[C@H]2CCC[N@@H+](C)C2)[C@H]2CCC[C@@H]21 ZINC000569031121 294145612 /nfs/dbraw/zinc/14/56/12/294145612.db2.gz URECOWXNPMRQAF-FPCVCCKLSA-N 2 0 265.445 1.791 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000570810407 294313572 /nfs/dbraw/zinc/31/35/72/294313572.db2.gz NPBGDFQTFZOHEK-ICRTXTNUSA-N 2 0 265.401 1.104 10 0 CDAERP C[C@@H]1CCN(C(=O)CN2CC(C)(C)C2)C[C@@H]1n1ccnc1 ZINC000570861004 294323867 /nfs/dbraw/zinc/32/38/67/294323867.db2.gz KHHRGHROZHWVQK-KGLIPLIRSA-N 2 0 290.411 1.634 10 0 CDAERP C(C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)OC[C@H]1CCCO1 ZINC000570964149 294343768 /nfs/dbraw/zinc/34/37/68/294343768.db2.gz DYLBLFDJUFYCLH-CABCVRRESA-N 2 0 268.401 1.258 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])cc1 ZINC000335429823 295277998 /nfs/dbraw/zinc/27/79/98/295277998.db2.gz PDPXCWAGDYNECV-KRWDZBQOSA-N 2 0 295.386 1.844 10 0 CDAERP Cc1cnc([C@H](C)[N@H+](C)CCCN2CC[NH+](C)CC2)cn1 ZINC000428296774 302369527 /nfs/dbraw/zinc/36/95/27/302369527.db2.gz YUGOPQRRRDDANM-HNNXBMFYSA-N 2 0 291.443 1.415 10 0 CDAERP CC[NH+](CC)C[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000563384447 316282296 /nfs/dbraw/zinc/28/22/96/316282296.db2.gz MHZCBOHWHYZOPM-HUUCEWRRSA-N 2 0 281.444 1.519 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)CC[C@@H]2CCCC[N@@H+]2C)CC[NH2+]1 ZINC000563623473 316345422 /nfs/dbraw/zinc/34/54/22/316345422.db2.gz LNBDAOQHUFMEPR-MCIONIFRSA-N 2 0 267.417 1.508 10 0 CDAERP C[NH+](C)Cc1cc(CNC(=O)[C@H]2C[C@@H]([NH3+])C2)ccc1F ZINC000566298008 316547165 /nfs/dbraw/zinc/54/71/65/316547165.db2.gz OYPKFEWYNHXNCO-BJHJDKERSA-N 2 0 279.359 1.241 10 0 CDAERP CC(C)[NH2+]CCCNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000566845601 316688849 /nfs/dbraw/zinc/68/88/49/316688849.db2.gz DXYOJYSCTDGIPR-OKILXGFUSA-N 2 0 282.432 1.016 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000576159354 317087384 /nfs/dbraw/zinc/08/73/84/317087384.db2.gz WJQYMBTVPZWDQO-OWCLPIDISA-N 2 0 293.455 1.709 10 0 CDAERP NC(=O)[C@H](C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)Cc1ccc(F)cc1 ZINC000576240576 317103769 /nfs/dbraw/zinc/10/37/69/317103769.db2.gz AZXWWXKJYBADPA-NWANDNLSSA-N 2 0 293.386 1.329 10 0 CDAERP Cc1ncc(C[NH2+]Cc2ccc3c[nH+]cn3c2)n1C ZINC000577191914 317283364 /nfs/dbraw/zinc/28/33/64/317283364.db2.gz AOYNSKRVXYXQQX-UHFFFAOYSA-N 2 0 255.325 1.666 10 0 CDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCCn2ccnc2)CC1 ZINC000183175558 323323835 /nfs/dbraw/zinc/32/38/35/323323835.db2.gz MDEUAIQZDKBBBS-OAHLLOKOSA-N 2 0 294.443 1.298 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH2+][C@H]2C)[C@H](C)C1 ZINC000582847506 325056016 /nfs/dbraw/zinc/05/60/16/325056016.db2.gz RRHQNLQVNXDHJO-RQJABVFESA-N 2 0 267.417 1.173 10 0 CDAERP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC2 ZINC000583320840 325151919 /nfs/dbraw/zinc/15/19/19/325151919.db2.gz RBTNOPCMKQKTFZ-BARDWOONSA-N 2 0 296.459 1.769 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC(C)([NH2+]CCCF)CC2)C1 ZINC001673997453 1173904568 /nfs/dbraw/zinc/90/45/68/1173904568.db2.gz RPLJVEMALJDKRR-CYBMUJFWSA-N 2 0 285.407 1.268 10 0 CDAERP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[C@H]2[NH3+])C1 ZINC000250357957 1159247533 /nfs/dbraw/zinc/24/75/33/1159247533.db2.gz QMBWAMDGEFSSQX-FRRDWIJNSA-N 2 0 253.390 1.057 10 0 CDAERP CC[C@H](C[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)OC ZINC001691447429 1159305209 /nfs/dbraw/zinc/30/52/09/1159305209.db2.gz CIFRZTGDVFNASY-SOUVJXGZSA-N 2 0 299.459 1.190 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]CC ZINC001481815459 1159948332 /nfs/dbraw/zinc/94/83/32/1159948332.db2.gz CJSZVTCHBIGNEG-OLZOCXBDSA-N 2 0 255.406 1.365 10 0 CDAERP CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]CC1CC1 ZINC001481884038 1159951924 /nfs/dbraw/zinc/95/19/24/1159951924.db2.gz ZLKLPOVGSHQKRD-ZDUSSCGKSA-N 2 0 255.406 1.221 10 0 CDAERP CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001280095406 1160075665 /nfs/dbraw/zinc/07/56/65/1160075665.db2.gz QGVARGRNUJSUEN-QWHCGFSZSA-N 2 0 255.406 1.175 10 0 CDAERP CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001700553299 1177011921 /nfs/dbraw/zinc/01/19/21/1177011921.db2.gz DXMYTYCUCADNSS-DGCLKSJQSA-N 2 0 255.406 1.173 10 0 CDAERP CO[C@H](C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+])C1CCC1 ZINC000662270970 482222407 /nfs/dbraw/zinc/22/24/07/482222407.db2.gz CUANQPATOACUQJ-LSDHHAIUSA-N 2 0 297.443 1.121 10 0 CDAERP CN1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000226015109 482381028 /nfs/dbraw/zinc/38/10/28/482381028.db2.gz KKSZOYQVQYTHOI-XUWVNRHRSA-N 2 0 265.445 1.981 10 0 CDAERP CC[C@@H]1CN(C(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000669516139 482540549 /nfs/dbraw/zinc/54/05/49/482540549.db2.gz UQMGHEXWZREPPU-UGFHNGPFSA-N 2 0 293.386 1.454 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC/C=C/C[NH3+] ZINC000669365949 482746883 /nfs/dbraw/zinc/74/68/83/482746883.db2.gz MYMLOSUNWDFKSR-RDFMZFSFSA-N 2 0 282.432 1.455 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000684367923 482777151 /nfs/dbraw/zinc/77/71/51/482777151.db2.gz ILWPFAPTRMPCJA-WLYUNCDWSA-N 2 0 294.443 1.397 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH2+][C@H]2C)C1 ZINC000094647987 482799206 /nfs/dbraw/zinc/79/92/06/482799206.db2.gz IVDDSZQTBGYRQK-IHRRRGAJSA-N 2 0 267.417 1.221 10 0 CDAERP C[NH+](C)CCOc1ccc(C[NH2+]CC2(CCO)CC2)cc1 ZINC000681704918 483034010 /nfs/dbraw/zinc/03/40/10/483034010.db2.gz LGHOKINYNQJKCX-UHFFFAOYSA-N 2 0 292.423 1.879 10 0 CDAERP CC(C)[C@H](C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000251352259 483041022 /nfs/dbraw/zinc/04/10/22/483041022.db2.gz SRDQLGNKFBJNCL-SOUVJXGZSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000252651346 483118258 /nfs/dbraw/zinc/11/82/58/483118258.db2.gz IVDDSZQTBGYRQK-BFHYXJOUSA-N 2 0 267.417 1.221 10 0 CDAERP C[NH+](C)Cc1ccc(NC(=O)C[C@@H]2CC[NH2+]C2)cc1 ZINC000089742928 483128689 /nfs/dbraw/zinc/12/86/89/483128689.db2.gz XBMXWLWWCBKXIX-ZDUSSCGKSA-N 2 0 261.369 1.686 10 0 CDAERP CN1CC[NH+](CCCC[NH2+][C@@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667783771 483425414 /nfs/dbraw/zinc/42/54/14/483425414.db2.gz ZJQDGYLDRLBLIU-JKSUJKDBSA-N 2 0 281.444 1.171 10 0 CDAERP C[NH+]1CCC(CC[NH2+][C@@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667853744 483460893 /nfs/dbraw/zinc/46/08/93/483460893.db2.gz NDTABUHPZYVTMD-LSDHHAIUSA-N 2 0 252.402 1.875 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](CO)CC1CC1 ZINC000680134055 483543806 /nfs/dbraw/zinc/54/38/06/483543806.db2.gz SWDRGHFBFYWYFG-OAHLLOKOSA-N 2 0 286.379 1.826 10 0 CDAERP CC(C)[NH+](CCNC(=O)c1ccc(NN)[nH+]c1)C(C)C ZINC000051089205 519647856 /nfs/dbraw/zinc/64/78/56/519647856.db2.gz FAUYZQMUZAZREO-UHFFFAOYSA-N 2 0 279.388 1.216 10 0 CDAERP CC(C)[NH2+]CCCC(=O)N[C@H](C)C[NH+]1CCCC1 ZINC000049184811 519720550 /nfs/dbraw/zinc/72/05/50/519720550.db2.gz ROKSSJHHNGWFPR-CYBMUJFWSA-N 2 0 255.406 1.365 10 0 CDAERP CCC[NH2+]CC1(CN2CCC[N@H+](C)CC2)CCOCC1 ZINC000052181072 519910299 /nfs/dbraw/zinc/91/02/99/519910299.db2.gz UXTHCWAWWKFQND-UHFFFAOYSA-N 2 0 283.460 1.420 10 0 CDAERP CC[NH2+]Cc1cc(CN2CC[NH+](CC(C)C)CC2)on1 ZINC000055082680 519991762 /nfs/dbraw/zinc/99/17/62/519991762.db2.gz NCTIFKNAHZSDEI-UHFFFAOYSA-N 2 0 280.416 1.558 10 0 CDAERP CCC[NH2+][C@](C)(C[C@H](C)N1CC[NH+](C(C)C)CC1)C(N)=O ZINC000068625785 520115608 /nfs/dbraw/zinc/11/56/08/520115608.db2.gz VKIRVZPOGZUTCJ-GOEBONIOSA-N 2 0 298.475 1.035 10 0 CDAERP CC[NH2+][C@H]1CCC[C@@H]1N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055065985 520215501 /nfs/dbraw/zinc/21/55/01/520215501.db2.gz WMNSGSSLSGXAHA-KKUMJFAQSA-N 2 0 253.434 1.933 10 0 CDAERP CCCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001714237310 1179039073 /nfs/dbraw/zinc/03/90/73/1179039073.db2.gz YERDENDCRFOCRB-KGLIPLIRSA-N 2 0 269.433 1.754 10 0 CDAERP C[C@@H](C1CC1)N(C(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1)C1CC1 ZINC000923499942 1161545982 /nfs/dbraw/zinc/54/59/82/1161545982.db2.gz OSPQSQWVNAOIRX-IPYPFGDCSA-N 2 0 293.455 1.693 10 0 CDAERP C[NH2+]Cc1oc(CN2CCC([NH+](C)C)CC2)cc1C ZINC000052477885 522160383 /nfs/dbraw/zinc/16/03/83/522160383.db2.gz JNIXYOQEPXJVOS-UHFFFAOYSA-N 2 0 265.401 1.833 10 0 CDAERP C[NH2+][C@H](C)c1sc(N2CCC[N@H+](C)CC2)nc1C ZINC000054899075 522456677 /nfs/dbraw/zinc/45/66/77/522456677.db2.gz GHLAOYHEDFCTLI-SNVBAGLBSA-N 2 0 268.430 1.874 10 0 CDAERP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](CCCCCF)C1 ZINC001732169901 1182827444 /nfs/dbraw/zinc/82/74/44/1182827444.db2.gz WZJGUUWRUNJBNT-AWEZNQCLSA-N 2 0 287.423 1.611 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001438237973 1161971141 /nfs/dbraw/zinc/97/11/41/1161971141.db2.gz XQQGUZYJAOSLLJ-HUUCEWRRSA-N 2 0 281.444 1.802 10 0 CDAERP C(CN1CCC([NH+]2CCCCC2)CC1)[NH2+]C[C@@H]1CCOC1 ZINC000053389444 518386966 /nfs/dbraw/zinc/38/69/66/518386966.db2.gz LVEOEPPYFHEALB-INIZCTEOSA-N 2 0 295.471 1.563 10 0 CDAERP CC(C)[NH+]1CCN(C(=O)[C@H]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000055147727 519680182 /nfs/dbraw/zinc/68/01/82/519680182.db2.gz CIBVHKVMSSZNMV-KGLIPLIRSA-N 2 0 267.417 1.304 10 0 CDAERP CC(C)C[NH+]1CCN(CCC[C@H]2CCC[NH2+]2)CC1 ZINC000055079578 519726034 /nfs/dbraw/zinc/72/60/34/519726034.db2.gz XVHPGQLVTPMKHQ-OAHLLOKOSA-N 2 0 253.434 1.792 10 0 CDAERP CC(C)C[NH+]1CCN(CC[NH2+]Cc2cccnc2)CC1 ZINC000055076037 519726127 /nfs/dbraw/zinc/72/61/27/519726127.db2.gz OXXOBOVNXMQMSZ-UHFFFAOYSA-N 2 0 276.428 1.445 10 0 CDAERP CC(C)C[NH+]1CCN([C@@H](C[NH3+])C2CCCC2)CC1 ZINC000055077975 519727499 /nfs/dbraw/zinc/72/74/99/519727499.db2.gz LHWNHBPWCJTMMU-HNNXBMFYSA-N 2 0 253.434 1.778 10 0 CDAERP CC(C)C[NH+]1CCN([C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000055077552 519727607 /nfs/dbraw/zinc/72/76/07/519727607.db2.gz YQTYDMZFARSYCE-HUUCEWRRSA-N 2 0 253.434 1.778 10 0 CDAERP CC(C)C[NH+]1CCN([C@@]2(C[NH3+])CC[N@@H+](C(C)C)C2)CC1 ZINC000055078110 519727854 /nfs/dbraw/zinc/72/78/54/519727854.db2.gz CVMPUFWPORDKGA-MRXNPFEDSA-N 3 0 282.476 1.072 10 0 CDAERP CC(C)[NH2+][C@](C)(C[C@@H](C)N(C)C1CC[NH+](C)CC1)C(N)=O ZINC000068621376 519739802 /nfs/dbraw/zinc/73/98/02/519739802.db2.gz HULZXVZPNVYDFT-CZUORRHYSA-N 2 0 298.475 1.033 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCN([C@@H]2C[NH+]3CCC2CC3)C1 ZINC000053012383 519744915 /nfs/dbraw/zinc/74/49/15/519744915.db2.gz JRRLDVRIDNMMOW-GOEBONIOSA-N 2 0 265.445 1.648 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)C2CCOCC2)O1 ZINC000052481275 519745989 /nfs/dbraw/zinc/74/59/89/519745989.db2.gz RXHUIWOPPWFQFW-CVEARBPZSA-N 2 0 284.444 1.890 10 0 CDAERP CC(C)[C@@H](C)NC(=O)C[N@H+](CCC[NH3+])C1CCCC1 ZINC000049307615 519791674 /nfs/dbraw/zinc/79/16/74/519791674.db2.gz RRZSXYPITKSFDZ-CYBMUJFWSA-N 2 0 269.433 1.741 10 0 CDAERP CCC[NH+]1CCN(C(=O)C2CCC(C[NH3+])CC2)CC1 ZINC000055146078 519855529 /nfs/dbraw/zinc/85/55/29/519855529.db2.gz GHRDPMBTPDXBDK-UHFFFAOYSA-N 2 0 267.417 1.306 10 0 CDAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C[C@@H]1CC[N@H+](CC)C1 ZINC000054628295 519910727 /nfs/dbraw/zinc/91/07/27/519910727.db2.gz KUMJYVOAVVPNSN-WZYMTQMTSA-N 2 0 265.445 1.933 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000061230463 519939324 /nfs/dbraw/zinc/93/93/24/519939324.db2.gz OFJWLAZWPBJXBO-CHWSQXEVSA-N 2 0 257.422 1.325 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@H](CN2CC[NH+](C(C)C)CC2)O1 ZINC000052480117 519955157 /nfs/dbraw/zinc/95/51/57/519955157.db2.gz FPKREXYMYFQCEN-LSDHHAIUSA-N 2 0 269.433 1.170 10 0 CDAERP CCOCC[NH2+]CCN1CC[NH+]([C@H](C)CC)CC1 ZINC000055075447 519967304 /nfs/dbraw/zinc/96/73/04/519967304.db2.gz BWUWBMZTZVHNHS-CQSZACIVSA-N 2 0 257.422 1.029 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)[C@@H]2CCSC2)O1 ZINC000052453578 519977800 /nfs/dbraw/zinc/97/78/00/519977800.db2.gz WPKWKBROJVNFKX-UPJWGTAASA-N 2 0 258.431 1.581 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@H](C[N@H+](CCOC)[C@@H](C)COC)O1 ZINC000052572430 519979180 /nfs/dbraw/zinc/97/91/80/519979180.db2.gz DAXNNNLUCYNZKO-RRFJBIMHSA-N 2 0 288.432 1.127 10 0 CDAERP CC[NH2+]Cc1ccoc1CN1CC[NH+](CC)CC1 ZINC000052422300 520011309 /nfs/dbraw/zinc/01/13/09/520011309.db2.gz MIDMKKUQAIOOPS-UHFFFAOYSA-N 2 0 251.374 1.527 10 0 CDAERP CC[NH2+]Cc1cn(CC[N@@H+]2CCC[C@H](C)C2)nn1 ZINC000052381408 520012810 /nfs/dbraw/zinc/01/28/10/520012810.db2.gz JWDKVURTJHJOQR-LBPRGKRZSA-N 2 0 251.378 1.120 10 0 CDAERP CC[NH2+]Cc1occc1C[N@H+](C)C1CCOCC1 ZINC000052481176 520030782 /nfs/dbraw/zinc/03/07/82/520030782.db2.gz BXLLIQCXEJJQSO-UHFFFAOYSA-N 2 0 252.358 2.000 10 0 CDAERP CC[NH2+]Cc1occc1CN1CCC([NH+](C)C)CC1 ZINC000052477656 520031278 /nfs/dbraw/zinc/03/12/78/520031278.db2.gz UKZAPKSPLATBNH-UHFFFAOYSA-N 2 0 265.401 1.915 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000061274718 520061442 /nfs/dbraw/zinc/06/14/42/520061442.db2.gz OGXBHWFVHLRJRH-ZDUSSCGKSA-N 2 0 267.417 1.461 10 0 CDAERP CCCCC[N@H+](CCn1cc(C[NH2+]C)nn1)C(C)C ZINC000052544802 520174426 /nfs/dbraw/zinc/17/44/26/520174426.db2.gz PPUZMSUUYGTCJU-UHFFFAOYSA-N 2 0 267.421 1.898 10 0 CDAERP CCO[C@@H](C[NH3+])CN1CCC([NH+]2CCCCC2)CC1 ZINC000062739638 520311795 /nfs/dbraw/zinc/31/17/95/520311795.db2.gz LUQWEMOUQBZOML-HNNXBMFYSA-N 2 0 269.433 1.301 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)C(C)(C)[NH2+]C)CC1 ZINC000061300643 520570567 /nfs/dbraw/zinc/57/05/67/520570567.db2.gz FVUQMPKHWBESRC-UHFFFAOYSA-N 2 0 255.406 1.365 10 0 CDAERP CC[NH+](CC)CCN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063199682 520662713 /nfs/dbraw/zinc/66/27/13/520662713.db2.gz RNQYXNYWUPHNHW-HNNXBMFYSA-N 2 0 253.434 1.792 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000340930395 520857685 /nfs/dbraw/zinc/85/76/85/520857685.db2.gz ABDIGHSSTVHVKI-MCIONIFRSA-N 2 0 284.448 1.499 10 0 CDAERP CC[N@H+](CCN1CCC[NH2+]CC1)Cc1ccncc1 ZINC000061275364 521046498 /nfs/dbraw/zinc/04/64/98/521046498.db2.gz WRDCEOXKBZCYEY-UHFFFAOYSA-N 2 0 262.401 1.199 10 0 CDAERP CCC[C@H]1CC[C@@H]([NH3+])[C@H](N2CCN(CC[NH+](C)C)CC2)C1 ZINC000061643860 521212881 /nfs/dbraw/zinc/21/28/81/521212881.db2.gz FTCVRYLHZNFTJN-GVDBMIGSSA-N 2 0 296.503 1.462 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@H]2CC[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000055140088 521550743 /nfs/dbraw/zinc/55/07/43/521550743.db2.gz QNZHMSXNIFZEFA-CFVMTHIKSA-N 2 0 281.444 1.598 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@]2(CC)CC[NH2+]C2)CC1 ZINC000062902376 521551027 /nfs/dbraw/zinc/55/10/27/521551027.db2.gz LFBVZZOMHFUENN-OAHLLOKOSA-N 2 0 267.417 1.224 10 0 CDAERP CC[NH+]1CCC([C@@H](C)[NH2+]CCN(C)CCOC)CC1 ZINC000061376299 521583496 /nfs/dbraw/zinc/58/34/96/521583496.db2.gz BXORBSPRWFKFSO-CQSZACIVSA-N 2 0 271.449 1.275 10 0 CDAERP CCC[N@H+](CCn1ccnc1C)C1CC[NH2+]CC1 ZINC000049331238 521674763 /nfs/dbraw/zinc/67/47/63/521674763.db2.gz FSJWNMVISIDASZ-UHFFFAOYSA-N 2 0 250.390 1.656 10 0 CDAERP CC[NH+]1CCN(Cc2cc(C[NH2+]C)c(C)o2)CC1 ZINC000052422310 521687515 /nfs/dbraw/zinc/68/75/15/521687515.db2.gz BTXGANOSUHGCLJ-UHFFFAOYSA-N 2 0 251.374 1.445 10 0 CDAERP CCC1(C[NH+]2CCN(c3ncccn3)CC2)CC[NH2+]CC1 ZINC000062850564 521702532 /nfs/dbraw/zinc/70/25/32/521702532.db2.gz TXSPYGOFFIGERT-UHFFFAOYSA-N 2 0 289.427 1.378 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)[C@H](C[NH3+])c1ccccc1 ZINC000061644049 521863512 /nfs/dbraw/zinc/86/35/12/521863512.db2.gz WZWLGBLPZUXPOV-HUUCEWRRSA-N 2 0 275.396 1.282 10 0 CDAERP C[NH2+]C(C)(C)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000061317818 521934699 /nfs/dbraw/zinc/93/46/99/521934699.db2.gz UDRJBJOAUXADAQ-GFCCVEGCSA-N 2 0 255.406 1.223 10 0 CDAERP C[NH2+]C[C@@H](c1ccccc1)N1CC[NH+](CC2CC2)CC1 ZINC000052372533 522038182 /nfs/dbraw/zinc/03/81/82/522038182.db2.gz LCXNDIJDHWWZTP-KRWDZBQOSA-N 2 0 273.424 1.975 10 0 CDAERP CC[C@@H](C)[NH+]1CCN([C@]2(C[NH3+])CCSC2)CC1 ZINC000055064657 522135124 /nfs/dbraw/zinc/13/51/24/522135124.db2.gz LBYPIDOEJDTGSM-OLZOCXBDSA-N 2 0 257.447 1.237 10 0 CDAERP C[NH2+]Cc1ccc(C[N@H+](CCOC)[C@H](C)COC)cc1 ZINC000052572424 522117366 /nfs/dbraw/zinc/11/73/66/522117366.db2.gz YWCBMQMSIFVUPP-CQSZACIVSA-N 2 0 280.412 1.889 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C2(C[NH3+])CCSCC2)CC1 ZINC000055064432 522119566 /nfs/dbraw/zinc/11/95/66/522119566.db2.gz PEDLLFYPIVUAPI-CYBMUJFWSA-N 2 0 271.474 1.627 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(CC[NH2+]Cc2cccnc2)CC1 ZINC000055075427 522120715 /nfs/dbraw/zinc/12/07/15/522120715.db2.gz JBSQTNQDKYDDBP-OAHLLOKOSA-N 2 0 276.428 1.587 10 0 CDAERP CC[C@@H](C)[NH+]1CCN([C@H](C[NH3+])CCSC)CC1 ZINC000055064335 522131484 /nfs/dbraw/zinc/13/14/84/522131484.db2.gz ARZVQGZDJSPEIH-OLZOCXBDSA-N 2 0 259.463 1.483 10 0 CDAERP C[NH2+]Cc1cn(CC[N@H+](C)[C@@H](C)CC(C)C)nn1 ZINC000052571925 522144262 /nfs/dbraw/zinc/14/42/62/522144262.db2.gz HYEWNBOIDAQSMO-LBPRGKRZSA-N 2 0 253.394 1.364 10 0 CDAERP C[NH2+]Cc1nc(C(C)C)ncc1N1CCC[C@H]1C[NH+](C)C ZINC000061654275 522150715 /nfs/dbraw/zinc/15/07/15/522150715.db2.gz ISVDLNVLIMNFPM-ZDUSSCGKSA-N 2 0 291.443 1.850 10 0 CDAERP C[NH2+]Cc1oc2ccccc2c1C[NH+]1CCN(C)CC1 ZINC000052379333 522162307 /nfs/dbraw/zinc/16/23/07/522162307.db2.gz ZQNLFONVDXKLKW-UHFFFAOYSA-N 2 0 273.380 1.900 10 0 CDAERP C[NH2+]Cc1sc(N(C)[C@@H]2CCC[N@H+](C)C2)nc1C ZINC000054998281 522167066 /nfs/dbraw/zinc/16/70/66/522167066.db2.gz HMBKEWBDNXPNDB-LLVKDONJSA-N 2 0 268.430 1.701 10 0 CDAERP COCCN(C)CC[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000061378439 523604880 /nfs/dbraw/zinc/60/48/80/523604880.db2.gz UBDFFIPUSHLYPB-AWEZNQCLSA-N 2 0 257.422 1.029 10 0 CDAERP C[NH+]1CCC(CNC(=O)C[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000055140212 523761963 /nfs/dbraw/zinc/76/19/63/523761963.db2.gz KWGKRCKGDGRCFJ-KGLIPLIRSA-N 2 0 267.417 1.352 10 0 CDAERP CN(C(=O)[C@H]1CCC[C@@H](CC[NH3+])C1)C1CC[NH+](C)CC1 ZINC000055145656 523908357 /nfs/dbraw/zinc/90/83/57/523908357.db2.gz XPJIVNQOVNSHQR-KBPBESRZSA-N 2 0 281.444 1.694 10 0 CDAERP CC[C@H](C)[NH+]1CCN(CC[NH2+][C@@H](C)COC)CC1 ZINC000055075562 523954199 /nfs/dbraw/zinc/95/41/99/523954199.db2.gz ZPLVJWDCHXNHHN-KBPBESRZSA-N 2 0 257.422 1.027 10 0 CDAERP C[NH+](C)CC(C)(C)CNC(=O)C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000055125317 524045751 /nfs/dbraw/zinc/04/57/51/524045751.db2.gz PTPSUIMROMWDMZ-QWHCGFSZSA-N 2 0 269.433 1.598 10 0 CDAERP C[NH+](C)CCCCNC(=O)c1cccc(CC[NH3+])c1 ZINC000053662980 524052229 /nfs/dbraw/zinc/05/22/29/524052229.db2.gz YHXMYIZQPAKLKB-UHFFFAOYSA-N 2 0 263.385 1.259 10 0 CDAERP C[NH+](C)CCCCNC(=O)C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000055138987 524052347 /nfs/dbraw/zinc/05/23/47/524052347.db2.gz MJKIVZPXAXRJIS-CHWSQXEVSA-N 2 0 255.406 1.352 10 0 CDAERP C[C@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC000055141103 524144493 /nfs/dbraw/zinc/14/44/93/524144493.db2.gz UIPTWZIOBLXUMG-BFHYXJOUSA-N 2 0 281.444 1.693 10 0 CDAERP C[C@H](CC[NH+](C)C)[NH2+]C[C@H](O)COC1CCCC1 ZINC000049557144 524162940 /nfs/dbraw/zinc/16/29/40/524162940.db2.gz NNVPXEPCPSUUHK-OLZOCXBDSA-N 2 0 258.406 1.236 10 0 CDAERP C[C@H](CC[NH+](C)C)NS(=O)(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000049560572 524164934 /nfs/dbraw/zinc/16/49/34/524164934.db2.gz QLHHLWOTWQLDTD-NEPJUHHUSA-N 2 0 299.440 1.325 10 0 CDAERP C[C@H]1CCC[C@H](C(=O)N2CC[NH+](C(C)(C)C)CC2)[C@@H]1[NH3+] ZINC000055141084 524177570 /nfs/dbraw/zinc/17/75/70/524177570.db2.gz CNGWCVXBHCGJCI-MELADBBJSA-N 2 0 281.444 1.693 10 0 CDAERP C[C@@H]1CC[C@H](C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)C[C@@H]1[NH3+] ZINC000055131509 524627838 /nfs/dbraw/zinc/62/78/38/524627838.db2.gz PQZKVEVZDUIECE-RQJABVFESA-N 2 0 267.417 1.303 10 0 CDAERP C[C@H](C[C@](C)(CO)[NH2+]C1CC1)N1CC[N@H+](C)C(C)(C)C1 ZINC000070335935 524652309 /nfs/dbraw/zinc/65/23/09/524652309.db2.gz YWMWQUNRSSKVMT-CZUORRHYSA-N 2 0 283.460 1.294 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCC(C)(C)[NH+](C)C)CC[C@@H]1[NH3+] ZINC000055141691 524767154 /nfs/dbraw/zinc/76/71/54/524767154.db2.gz VQLPSBRIBPNUSK-SRVKXCTJSA-N 2 0 255.406 1.206 10 0 CDAERP C[C@H]([NH3+])[C@@H](N(C)[C@@H]1CCC[N@H+](C)C1)C(F)(F)F ZINC000053205644 524835778 /nfs/dbraw/zinc/83/57/78/524835778.db2.gz CKOKVLRRTTUKPN-IVZWLZJFSA-N 2 0 253.312 1.291 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC1=CC[NH+](CC2CC2)CC1 ZINC001677636165 1174382076 /nfs/dbraw/zinc/38/20/76/1174382076.db2.gz FUGOTMBGZDTYQH-UHFFFAOYSA-N 2 0 279.428 1.485 10 0 CDAERP C[C@H]([NH3+])[C@H](c1cccs1)N1CCN(CC[NH+](C)C)CC1 ZINC000061642401 524853696 /nfs/dbraw/zinc/85/36/96/524853696.db2.gz RKROKLISHJMVGO-DZGCQCFKSA-N 2 0 296.484 1.316 10 0 CDAERP C[C@H]1C[C@H]([NH3+])CC[C@@H]1C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000055134953 524902909 /nfs/dbraw/zinc/90/29/09/524902909.db2.gz XMHKDFDRSYJRMO-CFVMTHIKSA-N 2 0 281.444 1.550 10 0 CDAERP Cc1oc(C[NH3+])cc1CN1CC[NH+](C(C)C)CC1 ZINC000052480069 526769742 /nfs/dbraw/zinc/76/97/42/526769742.db2.gz AUXHVZUVIBTQRL-UHFFFAOYSA-N 2 0 251.374 1.573 10 0 CDAERP [NH3+]C1CCC(CC(=O)N2CC[NH+](C3CCCC3)CC2)CC1 ZINC000055132607 527139502 /nfs/dbraw/zinc/13/95/02/527139502.db2.gz WSJBRSOZVSQKJA-UHFFFAOYSA-N 2 0 293.455 1.981 10 0 CDAERP [NH3+]C[C@H]1CC[C@@H](C[NH+]2CCN(c3ccc(F)cc3)CC2)O1 ZINC000052418212 527239177 /nfs/dbraw/zinc/23/91/77/527239177.db2.gz QIYLRQWYAFSIHT-CVEARBPZSA-N 2 0 293.386 1.454 10 0 CDAERP [NH3+][C@H]1CCC[C@H](CC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000055136258 527406542 /nfs/dbraw/zinc/40/65/42/527406542.db2.gz UHXPTXKBEKDOHW-GJZGRUSLSA-N 2 0 281.444 1.886 10 0 CDAERP OC[C@@](CN1CC[C@@H]([NH+]2CCCC2)C1)([NH2+]C1CC1)C1CC1 ZINC000070336490 527600612 /nfs/dbraw/zinc/60/06/12/527600612.db2.gz VAKDSJJEZQLKLU-IAGOWNOFSA-N 2 0 293.455 1.050 10 0 CDAERP CCCC[C@H](C[NH3+])NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000418446649 535025966 /nfs/dbraw/zinc/02/59/66/535025966.db2.gz OMHONSMKYXSWBO-DGCLKSJQSA-N 2 0 268.405 1.040 10 0 CDAERP CC(C)C[NH+]1CCC(NC(=O)CC[C@@H](C)[NH3+])CC1 ZINC000193294365 535068410 /nfs/dbraw/zinc/06/84/10/535068410.db2.gz RJTNIQLRIZKYDL-GFCCVEGCSA-N 2 0 255.406 1.350 10 0 CDAERP CC(C)n1ccc(C[C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)n1 ZINC000414822207 535091431 /nfs/dbraw/zinc/09/14/31/535091431.db2.gz CJYQSLFFZYPQPX-UONOGXRCSA-N 2 0 264.417 1.984 10 0 CDAERP CCCN(C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)C1CC[NH2+]CC1 ZINC000418586060 535224247 /nfs/dbraw/zinc/22/42/47/535224247.db2.gz ZFBXRFSQEXKFNV-GXTWGEPZSA-N 2 0 282.432 1.158 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N[C@@H](C)CCCC[NH3+])CC1 ZINC000417743138 535448449 /nfs/dbraw/zinc/44/84/49/535448449.db2.gz BUJZMCNKRNTKTB-AWEZNQCLSA-N 2 0 298.475 1.925 10 0 CDAERP CC[NH+](CC)CCCNC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000416826310 535514600 /nfs/dbraw/zinc/51/46/00/535514600.db2.gz ZLKBWFKTRBOZKO-OAHLLOKOSA-N 2 0 292.427 1.718 10 0 CDAERP C[NH+](C)CCCCNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000426408042 535829229 /nfs/dbraw/zinc/82/92/29/535829229.db2.gz AZMSHDCHBSSRRG-ZDUSSCGKSA-N 2 0 253.390 1.071 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCc1ccc(O)cc1 ZINC000234720785 536595102 /nfs/dbraw/zinc/59/51/02/536595102.db2.gz FQSRIJGVYLGAHW-CYBMUJFWSA-N 2 0 252.358 1.278 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H](C)N(C)c1ccccc1 ZINC000422870602 536850857 /nfs/dbraw/zinc/85/08/57/536850857.db2.gz ZAGBNWOQPDWGBD-GJZGRUSLSA-N 2 0 279.428 1.855 10 0 CDAERP C[NH+](C)CCN(C(=O)[C@H]1CC[C@@H]([NH3+])C1)C1CCCC1 ZINC000091548379 538421892 /nfs/dbraw/zinc/42/18/92/538421892.db2.gz CFFRBNZXQPYKMN-QWHCGFSZSA-N 2 0 267.417 1.447 10 0 CDAERP C[C@H]1CN(C)C[C@H]1[NH2+]Cc1ccc2c(c1)ncn2C ZINC000774816562 575244203 /nfs/dbraw/zinc/24/42/03/575244203.db2.gz QWAZFFARKWCEAO-SMDDNHRTSA-N 2 0 258.369 1.613 10 0 CDAERP COc1c(C)cc(C[NH2+]CC2(O)CC[NH+](C)CC2)cc1C ZINC000740899031 576522932 /nfs/dbraw/zinc/52/29/32/576522932.db2.gz NCOXECNGFVNGHG-UHFFFAOYSA-N 2 0 292.423 1.858 10 0 CDAERP C[C@@H]1C[N@H+](C)C[C@@H]1NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000756117566 576978246 /nfs/dbraw/zinc/97/82/46/576978246.db2.gz CLAOHRIXHAMWPG-BMFZPTHFSA-N 2 0 281.444 1.170 10 0 CDAERP CC[N@H+](C)CCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001689802143 1175262909 /nfs/dbraw/zinc/26/29/09/1175262909.db2.gz MNHNKWHJGLLNMF-UHFFFAOYSA-N 2 0 269.433 1.709 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[NH+](C)CC)C1 ZINC001689824926 1175276821 /nfs/dbraw/zinc/27/68/21/1175276821.db2.gz AXCAHNFAJUXVIO-CQSZACIVSA-N 2 0 269.433 1.566 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH+](C)CC2CC2)C1 ZINC001689841111 1175281738 /nfs/dbraw/zinc/28/17/38/1175281738.db2.gz YQZWCUKDFXOAAW-CYBMUJFWSA-N 2 0 267.417 1.176 10 0 CDAERP CC1(C)CO[C@@H](C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000872143593 620694823 /nfs/dbraw/zinc/69/48/23/620694823.db2.gz UAGASULIQNDGCN-HIFRSBDPSA-N 2 0 252.402 1.877 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C2[C@@H]3CC[C@H]2C[N@@H+](C)C3)C1 ZINC000926665728 617425249 /nfs/dbraw/zinc/42/52/49/617425249.db2.gz KVYGQCRVEZMYAK-KNBMUFOWSA-N 3 0 251.418 1.256 10 0 CDAERP Cn1cc(N2CCC[C@H]([NH2+][C@H]3C[C@@H]([NH3+])C34CCC4)C2)cn1 ZINC000925517276 617426699 /nfs/dbraw/zinc/42/66/99/617426699.db2.gz NJSLDHPADCHDPS-CFVMTHIKSA-N 2 0 289.427 1.248 10 0 CDAERP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(N)nc2)CC1 ZINC000930662505 617499782 /nfs/dbraw/zinc/49/97/82/617499782.db2.gz AHISFOXKGWGOTF-UHFFFAOYSA-N 2 0 291.443 1.170 10 0 CDAERP CC1(C)[NH2+]CC[C@H]1Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000925592767 617538875 /nfs/dbraw/zinc/53/88/75/617538875.db2.gz BUTLKORNGXYIEM-CYBMUJFWSA-N 2 0 257.341 1.820 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCOCC1CC1 ZINC000924580698 617550068 /nfs/dbraw/zinc/55/00/68/617550068.db2.gz AOKSJMPEWJZCNK-YIONKMFJSA-N 2 0 252.402 1.733 10 0 CDAERP CCc1noc([C@@H]2CC[C@H]([NH2+][C@@H](C)C3C[NH2+]C3)C2)n1 ZINC000925872626 617932698 /nfs/dbraw/zinc/93/26/98/617932698.db2.gz IINLAHLJIGITBN-UMNHJUIQSA-N 2 0 264.373 1.466 10 0 CDAERP [NH3+][C@H]1C[C@H]([NH2+]CCc2ccc3c[nH]nc3c2)C12CCC2 ZINC000925665360 617616495 /nfs/dbraw/zinc/61/64/95/617616495.db2.gz DPQJCTNUHJRBHT-GJZGRUSLSA-N 2 0 270.380 1.965 10 0 CDAERP [NH3+][C@H]1C[C@@H]([NH2+]C[C@H](O)Cc2ccccc2)C12CCC2 ZINC000925667848 617622728 /nfs/dbraw/zinc/62/27/28/617622728.db2.gz DWGOUTGRRYOSIB-QLFBSQMISA-N 2 0 260.381 1.450 10 0 CDAERP COC(=O)N1CCC(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925671503 617631419 /nfs/dbraw/zinc/63/14/19/617631419.db2.gz QZFFLRRFAUOXJZ-CQSZACIVSA-N 2 0 295.427 1.729 10 0 CDAERP C1CO[C@@]2(C1)CCC[C@@H]2[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925771538 617639791 /nfs/dbraw/zinc/63/97/91/617639791.db2.gz BTPDBUOCJHXHCU-XZEYQLJZSA-N 2 0 262.397 1.674 10 0 CDAERP C[C@@H](CCO)CC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925679161 617650663 /nfs/dbraw/zinc/65/06/63/617650663.db2.gz HVCCVYWXNKODPW-YIYPIFLZSA-N 2 0 254.418 1.761 10 0 CDAERP OC1CCN(CC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925687309 617680037 /nfs/dbraw/zinc/68/00/37/617680037.db2.gz IMEDYJLLKBPUQY-SJORKVTESA-N 2 0 295.471 1.201 10 0 CDAERP CC1(C)[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925690879 617695306 /nfs/dbraw/zinc/69/53/06/617695306.db2.gz HVXIYMXUHHKRLF-YIYPIFLZSA-N 3 0 251.418 1.352 10 0 CDAERP CC1(C)[C@@H](NC[C@H]2CCCC[NH2+]2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925690813 617695672 /nfs/dbraw/zinc/69/56/72/617695672.db2.gz HTTKTKHUJBGZKA-MQYQWHSLSA-N 2 0 251.418 1.495 10 0 CDAERP C[NH+]1CCC[C@H]1CCN1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000931312557 617705181 /nfs/dbraw/zinc/70/51/81/617705181.db2.gz UGBUQGDDPNUUJJ-HRCADAONSA-N 2 0 265.445 1.744 10 0 CDAERP CC1(C)C[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)C[C@@H]([NH3+])C1 ZINC000925700568 617744200 /nfs/dbraw/zinc/74/42/00/617744200.db2.gz UMKBIRNZAGJEEE-OLZOCXBDSA-N 3 0 253.434 1.872 10 0 CDAERP CN1C[C@H](CC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1=O ZINC000925813255 617759675 /nfs/dbraw/zinc/75/96/75/617759675.db2.gz RAOPKSGKLXZVFI-FVQBIDKESA-N 2 0 293.455 1.613 10 0 CDAERP CO[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)[C@@H]1CCOC1 ZINC000925713160 617816245 /nfs/dbraw/zinc/81/62/45/617816245.db2.gz KECAFZFQEPSYHH-XJFOESAGSA-N 2 0 270.417 1.534 10 0 CDAERP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@]1(C(F)(F)F)CCCN1 ZINC000925856590 617894791 /nfs/dbraw/zinc/89/47/91/617894791.db2.gz RHAIEWGWSPOFMI-GRYCIOLGSA-N 2 0 279.350 1.649 10 0 CDAERP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)o1 ZINC000925855694 617894841 /nfs/dbraw/zinc/89/48/41/617894841.db2.gz OIAGSSFBDMYCTK-STQMWFEESA-N 2 0 292.379 1.924 10 0 CDAERP CC(C)COC[C@H](O)C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000923416458 618326431 /nfs/dbraw/zinc/32/64/31/618326431.db2.gz WSTRGIRTJIXWQT-ZBFHGGJFSA-N 2 0 286.460 1.717 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000924990474 618553168 /nfs/dbraw/zinc/55/31/68/618553168.db2.gz GUPLPZDFAISSNF-HPUBIQBYSA-N 2 0 295.471 1.560 10 0 CDAERP c1ccc2c(c1)cncc2C[NH2+]CCN1CC[NH2+]CC1 ZINC000841043764 618677911 /nfs/dbraw/zinc/67/79/11/618677911.db2.gz VUONQEXHESQIPP-UHFFFAOYSA-N 2 0 270.380 1.230 10 0 CDAERP COC(=O)[C@@H]1[C@H](CN2CCC[C@H]([NH+](C)C)CC2)C1(F)F ZINC000894566305 618965931 /nfs/dbraw/zinc/96/59/31/618965931.db2.gz LXMIUWSNQFNYIE-SRVKXCTJSA-N 2 0 290.354 1.457 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C)[NH+](CC)CC ZINC000928447634 619095555 /nfs/dbraw/zinc/09/55/55/619095555.db2.gz KZIFQCRTDMIMBA-FRRDWIJNSA-N 2 0 255.406 1.316 10 0 CDAERP CC(C)(C[NH+]1CCCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC000909434447 619259615 /nfs/dbraw/zinc/25/96/15/619259615.db2.gz WBNUGTHZRWHUAQ-UHFFFAOYSA-N 2 0 265.401 1.073 10 0 CDAERP CC[C@@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C(=O)OC ZINC000895140489 619345209 /nfs/dbraw/zinc/34/52/09/619345209.db2.gz RPJSSDJIFIUBKS-RYUDHWBXSA-N 2 0 256.390 1.648 10 0 CDAERP CCc1nccn1[C@H](C)CC(=O)NC[C@H]1CC[N@@H+]1C ZINC000928555586 619364881 /nfs/dbraw/zinc/36/48/81/619364881.db2.gz USDLCWCISATZMB-VXGBXAGGSA-N 2 0 264.373 1.217 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000896261023 620038043 /nfs/dbraw/zinc/03/80/43/620038043.db2.gz YCNXMTXJWMBZRH-GJZGRUSLSA-N 2 0 279.428 1.558 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000925318316 621058696 /nfs/dbraw/zinc/05/86/96/621058696.db2.gz GLZSFRAHHPERJX-KBPBESRZSA-N 2 0 284.448 1.308 10 0 CDAERP C[C@@H]1[C@H](NC(=O)N(C)CC2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000925330221 621571518 /nfs/dbraw/zinc/57/15/18/621571518.db2.gz SSBVKMVYIDURMI-TZMCWYRMSA-N 2 0 282.432 1.062 10 0 CDAERP C[C@H](C[NH2+][C@H]1CCOC12CCOCC2)C[NH+]1CCCC1 ZINC000924713797 621696525 /nfs/dbraw/zinc/69/65/25/621696525.db2.gz GGIZELUZPRETJP-CABCVRRESA-N 2 0 282.428 1.646 10 0 CDAERP CN(CCC[NH+](C)C)CCNC(=O)C1(C2CC2)CC1 ZINC000898668280 621835798 /nfs/dbraw/zinc/83/57/98/621835798.db2.gz GMADKHIQUBFSPH-UHFFFAOYSA-N 2 0 267.417 1.176 10 0 CDAERP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+]3CCSC[C@@H]23)CC[N@@H+]1C ZINC000900515358 623178572 /nfs/dbraw/zinc/17/85/72/623178572.db2.gz IHFWFVUAVZQNDY-MQYQWHSLSA-N 2 0 297.468 1.023 10 0 CDAERP C[N@H+]1CC=C(CNC(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC000901330815 624139045 /nfs/dbraw/zinc/13/90/45/624139045.db2.gz RAWUZNYWSUJKLD-GJZGRUSLSA-N 2 0 277.412 1.381 10 0 CDAERP C[C@@H]1[C@H](NC2CC[NH+](C(C)(C)C)CC2)CC[N@@H+]1C ZINC000903302184 625960597 /nfs/dbraw/zinc/96/05/97/625960597.db2.gz ZJLRROQYUTYRTK-TZMCWYRMSA-N 2 0 253.434 1.932 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000903442064 625997156 /nfs/dbraw/zinc/99/71/56/625997156.db2.gz HVSDGFIYZVMXFX-OWCLPIDISA-N 2 0 281.444 1.029 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@@H]2CC[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000903444228 625997838 /nfs/dbraw/zinc/99/78/38/625997838.db2.gz QEZUFCLLVXBOND-LJISPDSOSA-N 3 0 253.434 1.776 10 0 CDAERP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903444258 625997925 /nfs/dbraw/zinc/99/79/25/625997925.db2.gz RFJMAKJSFQEJBM-QLFBSQMISA-N 3 0 253.434 1.920 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C[C@@H]2C[NH2+]C[C@H]2C)[C@@H](C)C1 ZINC000903445009 625998464 /nfs/dbraw/zinc/99/84/64/625998464.db2.gz WSUPJHVZTYJZSL-CBBWQLFWSA-N 2 0 253.434 1.504 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000903446061 625999336 /nfs/dbraw/zinc/99/93/36/625999336.db2.gz RVVRTFYQINBPCI-UONOGXRCSA-N 3 0 260.385 1.331 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000903453689 626001156 /nfs/dbraw/zinc/00/11/56/626001156.db2.gz IBKJVANUMCFELM-KBXIAJHMSA-N 3 0 251.418 1.306 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000903453715 626001179 /nfs/dbraw/zinc/00/11/79/626001179.db2.gz JLAIPMNHXNCFEK-UGUYLWEFSA-N 3 0 265.445 1.554 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCCN(C(=O)C3CC3)CC2)C1 ZINC000903455511 626002040 /nfs/dbraw/zinc/00/20/40/626002040.db2.gz XTHOLURXLAEGMP-GXTWGEPZSA-N 2 0 265.401 1.058 10 0 CDAERP COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903456041 626002363 /nfs/dbraw/zinc/00/23/63/626002363.db2.gz CVKZKKDVVCLWKE-RGDJUOJXSA-N 2 0 266.385 1.387 10 0 CDAERP FC(F)(F)COCCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903470057 626003721 /nfs/dbraw/zinc/00/37/21/626003721.db2.gz DYQZJFAJXBKJHH-SNVBAGLBSA-N 2 0 266.307 1.830 10 0 CDAERP [NH3+]C[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC[C@@H]1C(F)(F)F ZINC000903473852 626004641 /nfs/dbraw/zinc/00/46/41/626004641.db2.gz AODNSOWNUDXVLJ-RHYQMDGZSA-N 3 0 279.350 1.573 10 0 CDAERP Cc1nc([C@@H]2CC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)no1 ZINC000903491223 626010871 /nfs/dbraw/zinc/01/08/71/626010871.db2.gz ZRDTURJQIMIHAP-QWHCGFSZSA-N 2 0 264.373 1.557 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCC1CCC1)C2 ZINC000903494319 626011493 /nfs/dbraw/zinc/01/14/93/626011493.db2.gz BUUTUGBVDJQAOD-GUTXKFCHSA-N 2 0 266.385 1.389 10 0 CDAERP CCCCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496670 626011893 /nfs/dbraw/zinc/01/18/93/626011893.db2.gz YEHUBLZANPFNAH-ZIAGYGMSSA-N 2 0 269.433 1.600 10 0 CDAERP CO[C@H](C)c1noc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)n1 ZINC000903496758 626012061 /nfs/dbraw/zinc/01/20/61/626012061.db2.gz BVOLBTKYKKNVKD-GMTAPVOTSA-N 2 0 268.361 1.194 10 0 CDAERP CC(C)C[C@@H](C)N(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496907 626012184 /nfs/dbraw/zinc/01/21/84/626012184.db2.gz JRVZAQZUCPBLPY-RBSFLKMASA-N 2 0 283.460 1.796 10 0 CDAERP C[C@]1(C2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)COC(=O)N1 ZINC000903564004 626020177 /nfs/dbraw/zinc/02/01/77/626020177.db2.gz NJHPKMVEJRKGMA-IUODEOHRSA-N 2 0 281.400 1.197 10 0 CDAERP C(C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)OC1CCSCC1 ZINC000903752038 626073414 /nfs/dbraw/zinc/07/34/14/626073414.db2.gz PDFQBMGGWGIUIE-HNNXBMFYSA-N 2 0 284.469 1.974 10 0 CDAERP c1csc(C[C@H]2CC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)n1 ZINC000903831287 626107615 /nfs/dbraw/zinc/10/76/15/626107615.db2.gz GQNILCRXLVDBNO-VXGBXAGGSA-N 2 0 251.399 1.617 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCC[C@H](C)C2)cnn1C ZINC000903873641 626128112 /nfs/dbraw/zinc/12/81/12/626128112.db2.gz WCSGBHGBVJLXSR-JSGCOSHPSA-N 2 0 264.417 1.578 10 0 CDAERP C[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)C[C@@H]1CCCOC1 ZINC000903892326 626132335 /nfs/dbraw/zinc/13/23/35/626132335.db2.gz QRKLVUFRWUFMCY-UONOGXRCSA-N 2 0 293.415 1.061 10 0 CDAERP CC[N@H+](C[C@H](C[NH3+])Cc1cnn(C)c1C)C[C@@H]1CCCO1 ZINC000903886632 626133741 /nfs/dbraw/zinc/13/37/41/626133741.db2.gz SBGSUYLFPVGZRK-HOCLYGCPSA-N 2 0 294.443 1.347 10 0 CDAERP C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903915093 626135472 /nfs/dbraw/zinc/13/54/72/626135472.db2.gz YBQGVXUXMAFXSQ-FUDCBSFHSA-N 2 0 281.444 1.752 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@@H+]2C[C@@H](C)C[C@H]2C)cnn1C ZINC000903895609 626135617 /nfs/dbraw/zinc/13/56/17/626135617.db2.gz OVYMNVUPIPLNBS-OUCADQQQSA-N 2 0 264.417 1.576 10 0 CDAERP CCC[C@@H]1CN(C[C@@H](C[NH3+])Cc2cnn(C)c2C)CCO1 ZINC000903895847 626135836 /nfs/dbraw/zinc/13/58/36/626135836.db2.gz QRLQEWKJGLYTLR-GDBMZVCRSA-N 2 0 294.443 1.347 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@H+](C)[C@@H](CO)C(C)(C)C)cnn1C ZINC000903900056 626137956 /nfs/dbraw/zinc/13/79/56/626137956.db2.gz ZKKURLBUBQKAQG-HIFRSBDPSA-N 2 0 296.459 1.185 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@H+]2CC[C@H](C)[C@@H]2C)cnn1C ZINC000903899775 626138080 /nfs/dbraw/zinc/13/80/80/626138080.db2.gz USPQLLUMKOPCHF-SGMGOOAPSA-N 2 0 264.417 1.576 10 0 CDAERP Cc1c(C[N@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cnn1C ZINC000903918380 626146087 /nfs/dbraw/zinc/14/60/87/626146087.db2.gz XYBBHTUXCUHMOC-LQDVMPOASA-N 2 0 262.401 1.691 10 0 CDAERP C[C@H]([NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1)C1CCOCC1 ZINC000903922373 626147521 /nfs/dbraw/zinc/14/75/21/626147521.db2.gz WKWNGAWRSHUBKK-JSGCOSHPSA-N 2 0 293.415 1.107 10 0 CDAERP C[C@H](C[C@@H]1CCC[NH2+]1)N1CCc2sc(C[NH3+])nc2C1 ZINC000903945164 626163054 /nfs/dbraw/zinc/16/30/54/626163054.db2.gz ROLRXFVUJMPNLB-MNOVXSKESA-N 2 0 280.441 1.491 10 0 CDAERP Nc1ccnc(C[NH2+]C2CCN(Cc3ccncc3)CC2)c1 ZINC000903951471 626164909 /nfs/dbraw/zinc/16/49/09/626164909.db2.gz YKESPQBQJSUUEY-UHFFFAOYSA-N 2 0 297.406 1.813 10 0 CDAERP [NH3+]CCN(Cc1cccc(Cl)c1)C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000903953444 626165945 /nfs/dbraw/zinc/16/59/45/626165945.db2.gz FUCCTKJIZROSEW-HIFRSBDPSA-N 2 0 279.815 1.710 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cnc2cnccn12 ZINC000903973899 626168754 /nfs/dbraw/zinc/16/87/54/626168754.db2.gz ILWABZOJLIVPFI-VXGBXAGGSA-N 2 0 259.357 1.065 10 0 CDAERP C[C@@H]1C[N@H+](Cc2cn3cccc(F)c3n2)C[C@H]1CC[NH3+] ZINC000903977505 626169799 /nfs/dbraw/zinc/16/97/99/626169799.db2.gz RAEHOIKWKOJIDN-VXGBXAGGSA-N 2 0 276.359 1.890 10 0 CDAERP C[C@H](O)c1ncc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)s1 ZINC000903977826 626169883 /nfs/dbraw/zinc/16/98/83/626169883.db2.gz BJZMJFUPWTXXCX-OUAUKWLOSA-N 2 0 269.414 1.613 10 0 CDAERP CC(C)C[C@@H]([NH3+])CN1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903982141 626170690 /nfs/dbraw/zinc/17/06/90/626170690.db2.gz LSXSASYTEOODDH-OPRDCNLKSA-N 2 0 253.312 1.181 10 0 CDAERP COc1cc(C)c(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)c(C)n1 ZINC000903968022 626172368 /nfs/dbraw/zinc/17/23/68/626172368.db2.gz PJRZCDZFZWLSIM-YPMHNXCESA-N 2 0 263.385 1.652 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)C[C@@H]1C ZINC000903968231 626172675 /nfs/dbraw/zinc/17/26/75/626172675.db2.gz RWLWHPOBVPMTCK-AIEDFZFUSA-N 2 0 282.428 1.799 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCS1 ZINC000905042342 626381695 /nfs/dbraw/zinc/38/16/95/626381695.db2.gz OKKGXCBULPWGLL-OLZOCXBDSA-N 2 0 284.473 1.870 10 0 CDAERP C[NH2+]Cc1ncc(-c2cccc(C[NH+](C)C)c2)cn1 ZINC000906160304 627129760 /nfs/dbraw/zinc/12/97/60/627129760.db2.gz YYESOHKDLMETNI-UHFFFAOYSA-N 2 0 256.353 1.925 10 0 CDAERP C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)Cc1cncn1C ZINC000912651397 630127465 /nfs/dbraw/zinc/12/74/65/630127465.db2.gz VORZMCROJFXVFO-KBPBESRZSA-N 2 0 292.427 1.684 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912915371 630284167 /nfs/dbraw/zinc/28/41/67/630284167.db2.gz FSTUHOJYPRTKNG-CYBMUJFWSA-N 2 0 253.390 1.025 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912902018 630294052 /nfs/dbraw/zinc/29/40/52/630294052.db2.gz IKAPGPIBJYVLPL-OLZOCXBDSA-N 2 0 265.401 1.166 10 0 CDAERP C[NH+]1C[C@]2(C)CN(C(=O)C3CC[NH+](C)CC3)C[C@@]2(C)C1 ZINC000913270186 630425364 /nfs/dbraw/zinc/42/53/64/630425364.db2.gz SWORNOPEFZFWNM-HZPDHXFCSA-N 2 0 279.428 1.128 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)NCC[NH+]2CCC(C)CC2)CC[N@@H+]1C ZINC000914075038 631010604 /nfs/dbraw/zinc/01/06/04/631010604.db2.gz QGBOQYJRXHXJNZ-KGLIPLIRSA-N 2 0 282.432 1.110 10 0 CDAERP C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)C[NH+](C)C ZINC000914444374 631483045 /nfs/dbraw/zinc/48/30/45/631483045.db2.gz UDRSRGHUAVHHPG-STQMWFEESA-N 2 0 255.406 1.269 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC000915679088 631791685 /nfs/dbraw/zinc/79/16/85/631791685.db2.gz VNISQKNYGPMGSS-DZGCQCFKSA-N 2 0 296.459 1.500 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCC([NH+](C)C)CC1 ZINC000916020067 631888981 /nfs/dbraw/zinc/88/89/81/631888981.db2.gz XVDMKTBDRRAWNX-AWEZNQCLSA-N 2 0 298.500 1.371 10 0 CDAERP C[C@@H](CN[C@@H]1CC[NH2+]C12CCCC2)C[NH+]1CCCC1 ZINC000925479861 632763478 /nfs/dbraw/zinc/76/34/78/632763478.db2.gz KOAWYGDDFOGGIF-LSDHHAIUSA-N 2 0 265.445 1.983 10 0 CDAERP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1c2c(nn1C)CCC2 ZINC000921828524 633324135 /nfs/dbraw/zinc/32/41/35/633324135.db2.gz WEYUQNJQEKQYJA-ZDUSSCGKSA-N 2 0 294.443 1.355 10 0 CDAERP CCCC[NH2+]C[C@H](NC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001670489951 1158618389 /nfs/dbraw/zinc/61/83/89/1158618389.db2.gz DXPRWDCAUAKVSS-HNNXBMFYSA-N 2 0 293.455 1.899 10 0 CDAERP C[NH+](C)CCCC(=O)N1CCC[C@@H]1C[NH2+]CCCF ZINC001699757012 1158539267 /nfs/dbraw/zinc/53/92/67/1158539267.db2.gz LZWLKBOLEVJCAM-CYBMUJFWSA-N 2 0 273.396 1.268 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]CCC(C)(C)C)C1CC1 ZINC001670517789 1158628147 /nfs/dbraw/zinc/62/81/47/1158628147.db2.gz UAGRFSQHXJHOHH-AWEZNQCLSA-N 2 0 283.460 1.859 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@H]1CC[C@@H](C(F)(F)F)O1)C2 ZINC000721443588 1158683227 /nfs/dbraw/zinc/68/32/27/1158683227.db2.gz AZWFMMOGXKXFTG-MJDLHHQISA-N 2 0 278.318 1.908 10 0 CDAERP CCOCCC[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001699001656 1159203283 /nfs/dbraw/zinc/20/32/83/1159203283.db2.gz MUACVISDRXEQNO-HUUCEWRRSA-N 2 0 299.459 1.143 10 0 CDAERP CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001268062897 1159767424 /nfs/dbraw/zinc/76/74/24/1159767424.db2.gz FQYRIFDGSWNOGR-GXTWGEPZSA-N 2 0 267.417 1.175 10 0 CDAERP CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001422004049 1159931116 /nfs/dbraw/zinc/93/11/16/1159931116.db2.gz NTAWLMHRIIQZDQ-LSDHHAIUSA-N 2 0 283.460 2.000 10 0 CDAERP COCC[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001691623377 1160721408 /nfs/dbraw/zinc/72/14/08/1160721408.db2.gz USJBHQGZUQCGSI-OAHLLOKOSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)NCCC(C)(C)C)CC[C@@H]1C[NH3+] ZINC000923499426 1161545425 /nfs/dbraw/zinc/54/54/25/1161545425.db2.gz NTICRQJZZFGKOC-CHWSQXEVSA-N 2 0 269.433 1.456 10 0 CDAERP CN(CC[NH+]1CCCC1)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810345010 1163202326 /nfs/dbraw/zinc/20/23/26/1163202326.db2.gz OLUHEMCVLVGLJQ-MRXNPFEDSA-N 2 0 299.434 1.753 10 0 CDAERP C[C@H]1C[C@@H]1NC(=[NH2+])NCC1([NH+](C)C)CCCCC1 ZINC000864453056 1164545202 /nfs/dbraw/zinc/54/52/02/1164545202.db2.gz WECKMYODEQNPFM-RYUDHWBXSA-N 2 0 252.406 1.773 10 0 CDAERP CC(C)C[C@H](C)C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866712019 1164813465 /nfs/dbraw/zinc/81/34/65/1164813465.db2.gz PTLHPKULIASLJS-XQLPTFJDSA-N 2 0 295.427 1.536 10 0 CDAERP CC(C)[N@H+](C)CC1CCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC1 ZINC000870871731 1165224972 /nfs/dbraw/zinc/22/49/72/1165224972.db2.gz LDXDGFFWZVTDOB-VYDXJSESSA-N 2 0 293.455 1.693 10 0 CDAERP C[NH+](C)Cc1cccc(CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)c1 ZINC000870919547 1165233851 /nfs/dbraw/zinc/23/38/51/1165233851.db2.gz ACHDKKCYRRIMGJ-VYDXJSESSA-N 2 0 287.407 1.492 10 0 CDAERP C[NH+](C)C1(C(=O)NC2CCC(C)([NH+](C)C)CC2)CC1 ZINC000871362550 1165294510 /nfs/dbraw/zinc/29/45/10/1165294510.db2.gz ZTIQOZJPNLDTPA-UHFFFAOYSA-N 2 0 267.417 1.460 10 0 CDAERP CC[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)[C@H]1CCCOC1 ZINC000872024237 1165372517 /nfs/dbraw/zinc/37/25/17/1165372517.db2.gz ZIDHQSNMEKCVNL-IRXDYDNUSA-N 2 0 297.487 1.809 10 0 CDAERP CC1=CC[NH+](CCNC(=O)[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001618612624 1165637724 /nfs/dbraw/zinc/63/77/24/1165637724.db2.gz MWRCCQCXFZKVMU-INIZCTEOSA-N 2 0 293.455 1.875 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)NCC[C@H](C)[NH+](C)C)C1 ZINC001632580812 1166359153 /nfs/dbraw/zinc/35/91/53/1166359153.db2.gz IMCFAZUQUZGTEO-UONOGXRCSA-N 2 0 269.433 1.563 10 0 CDAERP CCCC[C@H](C[NH2+]CCF)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001276254591 1166741392 /nfs/dbraw/zinc/74/13/92/1166741392.db2.gz DVYLYWJCMLBLRR-KGLIPLIRSA-N 2 0 287.423 1.705 10 0 CDAERP CCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC001645954866 1167586776 /nfs/dbraw/zinc/58/67/76/1167586776.db2.gz COTMVMJMHJTQKA-UPJWGTAASA-N 2 0 271.380 1.149 10 0 CDAERP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@H](C[NH2+]CCF)C1 ZINC001566893546 1168459158 /nfs/dbraw/zinc/45/91/58/1168459158.db2.gz JVNNPNALGNNHMH-HIFRSBDPSA-N 2 0 297.418 1.126 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC1CC1 ZINC001567081909 1168552593 /nfs/dbraw/zinc/55/25/93/1168552593.db2.gz DLSFCGWJCJUJHY-TZMCWYRMSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001567128905 1168586759 /nfs/dbraw/zinc/58/67/59/1168586759.db2.gz XIOWRUNAMJSLNQ-ZIAGYGMSSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)CC[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001567138599 1168592235 /nfs/dbraw/zinc/59/22/35/1168592235.db2.gz KNAWHHRPESPPJP-HNNXBMFYSA-N 2 0 283.460 1.812 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001567152854 1168598286 /nfs/dbraw/zinc/59/82/86/1168598286.db2.gz CIOCINJHXFGYDC-UONOGXRCSA-N 2 0 267.417 1.032 10 0 CDAERP CC[C@H](C)C[NH2+]CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001567524889 1168831598 /nfs/dbraw/zinc/83/15/98/1168831598.db2.gz LHEWAQFXLMXITL-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP CCC(C)(C)[NH+]1CCN(C(=O)[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC001649872598 1169454615 /nfs/dbraw/zinc/45/46/15/1169454615.db2.gz PQUVFOYJPCZPRP-KGLIPLIRSA-N 2 0 281.444 1.837 10 0 CDAERP CCN(CC[NH2+]CCOC)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001568751588 1169462539 /nfs/dbraw/zinc/46/25/39/1169462539.db2.gz PYEWKUNWLSUPJN-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)(C(=O)NC/C=C/C[NH2+]CC1CC1)[NH+]1CCCCC1 ZINC001568850420 1169517301 /nfs/dbraw/zinc/51/73/01/1169517301.db2.gz LNIHGYXIUGPDTR-SNAWJCMRSA-N 2 0 293.455 1.923 10 0 CDAERP CC1CC(C[NH2+]C/C=C\CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001568920222 1169548174 /nfs/dbraw/zinc/54/81/74/1169548174.db2.gz QROFWVJSNPRGFA-DQVKQYRSSA-N 2 0 293.455 1.636 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@H](C[NH2+]C/C=C/Cl)C2CC2)CC1 ZINC001569317449 1169762087 /nfs/dbraw/zinc/76/20/87/1169762087.db2.gz YVEJVEBMMBNUQW-ZHAHRWAOSA-N 2 0 299.846 1.565 10 0 CDAERP CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001569986643 1170053981 /nfs/dbraw/zinc/05/39/81/1170053981.db2.gz KDTXHCMERRGCBC-KGLIPLIRSA-N 2 0 267.417 1.319 10 0 CDAERP c1ncn(-c2ccc(C[NH2+]CCC[NH+]3CCCC3)cc2)n1 ZINC000075734286 1172137552 /nfs/dbraw/zinc/13/75/52/1172137552.db2.gz OCOHIXWFUQDGRB-UHFFFAOYSA-N 2 0 285.395 1.843 10 0 CDAERP CCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001665742136 1173050240 /nfs/dbraw/zinc/05/02/40/1173050240.db2.gz KYUPBUDISRBJAE-CQSZACIVSA-N 2 0 267.417 1.413 10 0 CDAERP CC[NH2+][C@@H](CC)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001665803618 1173064392 /nfs/dbraw/zinc/06/43/92/1173064392.db2.gz AIDAVMOFDGAWFX-STQMWFEESA-N 2 0 255.406 1.365 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]C/C=C\Cl ZINC001666667589 1173169718 /nfs/dbraw/zinc/16/97/18/1173169718.db2.gz UNVAXPMYKKLRGC-MEPZIYLKSA-N 2 0 273.808 1.033 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@H](C)N(C)C(=O)CC[NH+](C)C ZINC001666982895 1173216459 /nfs/dbraw/zinc/21/64/59/1173216459.db2.gz ODMFXQFUJVXYPA-NEPJUHHUSA-N 2 0 261.385 1.123 10 0 CDAERP O=C(NC/C=C\C[NH2+]CCCF)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001668883685 1173475614 /nfs/dbraw/zinc/47/56/14/1173475614.db2.gz RTPGOMPBSCVLCT-PZGMIKLFSA-N 2 0 297.418 1.625 10 0 CDAERP CCCCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001673928055 1173898022 /nfs/dbraw/zinc/89/80/22/1173898022.db2.gz AMGTVMJKGZJGMG-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+]CC=C(C)C)C1 ZINC001690747798 1175563126 /nfs/dbraw/zinc/56/31/26/1175563126.db2.gz IPTNMCOZELIQRE-OAHLLOKOSA-N 2 0 281.444 1.733 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CCF)C1 ZINC001692086413 1175674905 /nfs/dbraw/zinc/67/49/05/1175674905.db2.gz WDTAELUZESAZTK-KFWWJZLASA-N 2 0 299.434 1.514 10 0 CDAERP CC[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]C(C)C ZINC001698601703 1175868016 /nfs/dbraw/zinc/86/80/16/1175868016.db2.gz DNIOYLOACDHURC-KGLIPLIRSA-N 2 0 269.433 1.754 10 0 CDAERP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C[NH2+]C/C=C/Cl ZINC001698770100 1175926009 /nfs/dbraw/zinc/92/60/09/1175926009.db2.gz GHHGDIGITWXISK-CBSYICTRSA-N 2 0 287.835 1.423 10 0 CDAERP CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001699016411 1176042555 /nfs/dbraw/zinc/04/25/55/1176042555.db2.gz QXCRGNZQZZBUEY-KBPBESRZSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H](CC[NH2+]C/C(Cl)=C\Cl)NC(=O)CC[NH+](C)C ZINC001699130309 1176107253 /nfs/dbraw/zinc/10/72/53/1176107253.db2.gz AZPLJVKULTXIIC-MXBGMFSPSA-N 2 0 296.242 1.742 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccns1)[NH+](C)C ZINC001699152295 1176114530 /nfs/dbraw/zinc/11/45/30/1176114530.db2.gz VFAAQWFPZDTQDN-AAEUAGOBSA-N 2 0 298.456 1.468 10 0 CDAERP CO[C@@H](C)C[NH2+]CC[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001699155025 1176115438 /nfs/dbraw/zinc/11/54/38/1176115438.db2.gz SDVBHGSFFOEAGZ-CABCVRRESA-N 2 0 299.459 1.238 10 0 CDAERP CCCCC[NH2+]C/C=C\CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001699259107 1176183384 /nfs/dbraw/zinc/18/33/84/1176183384.db2.gz JSNSLRKNROKHPV-OGZRUICASA-N 2 0 293.455 1.780 10 0 CDAERP CCC[NH2+]C[C@@H](C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001699380330 1176340752 /nfs/dbraw/zinc/34/07/52/1176340752.db2.gz IYDPPOMDDUNUHB-IUODEOHRSA-N 2 0 287.423 1.703 10 0 CDAERP C[C@H](C[NH2+]CC1CC(C)C1)NC(=O)C[NH+]1CCCC1 ZINC001699390851 1176348529 /nfs/dbraw/zinc/34/85/29/1176348529.db2.gz IYLOKRAUQQPIAV-ROKHWSDSSA-N 2 0 267.417 1.223 10 0 CDAERP CCC[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001699459796 1176423214 /nfs/dbraw/zinc/42/32/14/1176423214.db2.gz IUUFYEZGUCLUAC-CHWSQXEVSA-N 2 0 255.406 1.175 10 0 CDAERP CCC[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001699970028 1176702217 /nfs/dbraw/zinc/70/22/17/1176702217.db2.gz OCZJYWJMGFVDIU-HOTGVXAUSA-N 2 0 295.471 1.957 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@@H](C)[C@H](C)[NH2+]C(C)C ZINC001700424045 1176921335 /nfs/dbraw/zinc/92/13/35/1176921335.db2.gz BNEPSWNSIFLJOE-STQMWFEESA-N 2 0 257.422 1.610 10 0 CDAERP CCCCC[NH2+][C@H](C)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001700608344 1177035115 /nfs/dbraw/zinc/03/51/15/1177035115.db2.gz ARUYGPAUJJXQHA-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@@H]1[C@H]([NH2+]CCCF)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001700863329 1177171930 /nfs/dbraw/zinc/17/19/30/1177171930.db2.gz YKDXEFXQJYYHAY-HUUCEWRRSA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)OCC[NH2+]C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001713239109 1178448624 /nfs/dbraw/zinc/44/86/24/1178448624.db2.gz PQTMDRVCFLAODM-HNNXBMFYSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[N@H+](C)CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001713456730 1178574729 /nfs/dbraw/zinc/57/47/29/1178574729.db2.gz YWMQFAVRGIGOID-ZDUSSCGKSA-N 2 0 255.406 1.319 10 0 CDAERP CCCCC[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001713593043 1178673589 /nfs/dbraw/zinc/67/35/89/1178673589.db2.gz SVCOAHDLVKIZJR-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP CCCC[NH2+]CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001713665945 1178702381 /nfs/dbraw/zinc/70/23/81/1178702381.db2.gz AHNKERJZQHMQOC-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP CCC/C=C/CC[NH+]1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001713924624 1178851278 /nfs/dbraw/zinc/85/12/78/1178851278.db2.gz LXBOATBKIXSALH-SNAWJCMRSA-N 2 0 293.455 1.877 10 0 CDAERP CC(C)=CC[NH2+]C[C@@](C)(NC(=O)CC[NH+](C)C)C1CC1 ZINC001714171176 1179000480 /nfs/dbraw/zinc/00/04/80/1179000480.db2.gz CENUYXWRAJITNU-MRXNPFEDSA-N 2 0 281.444 1.779 10 0 CDAERP CC(C)OCC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001714385155 1179116130 /nfs/dbraw/zinc/11/61/30/1179116130.db2.gz LRJDELZAACHPMO-HNNXBMFYSA-N 2 0 299.459 1.190 10 0 CDAERP C[NH+]1CCC(C(=O)NCCC[C@@H]2CCC[N@@H+]2CCF)CC1 ZINC001714526835 1179183137 /nfs/dbraw/zinc/18/31/37/1179183137.db2.gz GZDZICVHGAPAAG-OAHLLOKOSA-N 2 0 299.434 1.659 10 0 CDAERP C[C@@H](C[NH2+]C/C=C/Cl)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001714746765 1179372610 /nfs/dbraw/zinc/37/26/10/1179372610.db2.gz BZOGIRNKQXVAED-PBYRWIMMSA-N 2 0 287.835 1.517 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC[C@H]1CC[NH+](C(C)C)C1 ZINC001714884903 1179437269 /nfs/dbraw/zinc/43/72/69/1179437269.db2.gz QBMRXDOWGRXHGR-AWEZNQCLSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001714910223 1179448131 /nfs/dbraw/zinc/44/81/31/1179448131.db2.gz VMWXEPSTGUDBQY-INIZCTEOSA-N 2 0 293.455 1.829 10 0 CDAERP CC[NH2+]CCC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001715179102 1179569742 /nfs/dbraw/zinc/56/97/42/1179569742.db2.gz JUAWOLAOGTUCKJ-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CC[NH2+]C[C@@H](CC(C)C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001715389475 1179653674 /nfs/dbraw/zinc/65/36/74/1179653674.db2.gz DUEAPTNRWJCEND-UONOGXRCSA-N 2 0 269.433 1.469 10 0 CDAERP CC[NH2+]C[C@H](CC(C)C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001715389472 1179653682 /nfs/dbraw/zinc/65/36/82/1179653682.db2.gz DUEAPTNRWJCEND-KGLIPLIRSA-N 2 0 269.433 1.469 10 0 CDAERP CC(C)OCC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001715506967 1179687590 /nfs/dbraw/zinc/68/75/90/1179687590.db2.gz ONBPHSXOPKMNDF-HUUCEWRRSA-N 2 0 299.459 1.094 10 0 CDAERP CCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001715664040 1179756553 /nfs/dbraw/zinc/75/65/53/1179756553.db2.gz VRUAJNYOHIEQBH-QWHCGFSZSA-N 2 0 255.406 1.365 10 0 CDAERP C[C@H](CC[NH2+]Cc1ccon1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001716150127 1180072686 /nfs/dbraw/zinc/07/26/86/1180072686.db2.gz FGGSFHODVGVTOZ-TZMCWYRMSA-N 2 0 294.399 1.143 10 0 CDAERP C[C@@H](CC[NH2+]Cc1ccon1)NC(=O)C1CC[NH+](C)CC1 ZINC001716170439 1180082308 /nfs/dbraw/zinc/08/23/08/1180082308.db2.gz JVURVJGJALMQLU-LBPRGKRZSA-N 2 0 294.399 1.001 10 0 CDAERP CCC[NH2+]C[C@@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001716412398 1180193591 /nfs/dbraw/zinc/19/35/91/1180193591.db2.gz GWQHDCQHFPITSG-CQSZACIVSA-N 2 0 291.439 1.909 10 0 CDAERP O=C(C[NH+]1CCCC1)NCC1([NH2+]CC2=CCCCC2)CC1 ZINC001716701358 1180379326 /nfs/dbraw/zinc/37/93/26/1180379326.db2.gz MPNZKMAYGIHTSC-UHFFFAOYSA-N 2 0 291.439 1.821 10 0 CDAERP C[NH+]1CCC(CC(=O)N2CC[C@](C)(C[NH2+]CCF)C2)CC1 ZINC001716875868 1180450705 /nfs/dbraw/zinc/45/07/05/1180450705.db2.gz NORMFDJUTNIWAN-MRXNPFEDSA-N 2 0 299.434 1.516 10 0 CDAERP CC(C)[NH2+][C@H](C)[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001716975123 1180488392 /nfs/dbraw/zinc/48/83/92/1180488392.db2.gz JBSZLWQJOBRQCN-KGLIPLIRSA-N 2 0 269.433 1.562 10 0 CDAERP CC(C)C[NH2+]CC1CC(NC(=O)CCC[NH+](C)C)C1 ZINC001717390711 1180643609 /nfs/dbraw/zinc/64/36/09/1180643609.db2.gz MHATUJPZCZEYRN-UHFFFAOYSA-N 2 0 269.433 1.469 10 0 CDAERP CC[NH2+]C1CCC(N(C)C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001717449931 1180677088 /nfs/dbraw/zinc/67/70/88/1180677088.db2.gz TVAPQXLMKNLZAV-JXQTWKCFSA-N 2 0 269.433 1.706 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)CC1CCC1 ZINC001717498942 1180713630 /nfs/dbraw/zinc/71/36/30/1180713630.db2.gz UHDUEJFQLOICIC-JSGCOSHPSA-N 2 0 267.417 1.175 10 0 CDAERP CC(C)C[NH2+][C@H](C)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001717749468 1180827224 /nfs/dbraw/zinc/82/72/24/1180827224.db2.gz CSFKUHHTNNDJGY-KGLIPLIRSA-N 2 0 269.433 1.421 10 0 CDAERP CN(CCC[NH2+]Cc1nccs1)C(=O)C[NH+]1CCCC1 ZINC001723194343 1181526093 /nfs/dbraw/zinc/52/60/93/1181526093.db2.gz LQIVPGHKEPTAJA-UHFFFAOYSA-N 2 0 296.440 1.177 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)C1CC1 ZINC001723356804 1181543730 /nfs/dbraw/zinc/54/37/30/1181543730.db2.gz TWXMVHSVXUOPMS-UONOGXRCSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@@H](CCC[NH2+]CC1CC1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001725397435 1181987219 /nfs/dbraw/zinc/98/72/19/1181987219.db2.gz XFSKRDAFCQBTOI-DZGCQCFKSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)[NH2+]CCC[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001725466374 1182010245 /nfs/dbraw/zinc/01/02/45/1182010245.db2.gz KCPAMVCXZJPNBX-ZDUSSCGKSA-N 2 0 257.422 1.610 10 0 CDAERP CC(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001725584608 1182061824 /nfs/dbraw/zinc/06/18/24/1182061824.db2.gz CPRCOZFNWZONAZ-QWHCGFSZSA-N 2 0 255.406 1.173 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCCOC)C(C)(C)C1 ZINC001725674906 1182094186 /nfs/dbraw/zinc/09/41/86/1182094186.db2.gz GBPPWTNQLPWZPA-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)[N@H+](C)CCN[C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261859021 1182199857 /nfs/dbraw/zinc/19/98/57/1182199857.db2.gz BXQYREPFPBASJZ-RBSFLKMASA-N 2 0 269.433 1.073 10 0 CDAERP CC/C=C\CC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001731453068 1182395293 /nfs/dbraw/zinc/39/52/93/1182395293.db2.gz CWOHBGUJKHAVHC-PVPAMPSESA-N 2 0 293.455 1.921 10 0 CDAERP CC(C)COCC[NH2+][C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001731615326 1182481067 /nfs/dbraw/zinc/48/10/67/1182481067.db2.gz NJCODGKUMMXQIJ-AWEZNQCLSA-N 2 0 299.459 1.095 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001731632443 1182492193 /nfs/dbraw/zinc/49/21/93/1182492193.db2.gz IGJRJFIQUSNQIP-KBPBESRZSA-N 2 0 267.417 1.389 10 0 CDAERP CC/C=C/CC[NH+]1CC(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001732139872 1182796708 /nfs/dbraw/zinc/79/67/08/1182796708.db2.gz PCATWYFBBFGXTC-VOTSOKGWSA-N 2 0 281.444 1.731 10 0 CDAERP CC/C=C/CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001732195850 1182849228 /nfs/dbraw/zinc/84/92/28/1182849228.db2.gz RUJOPXMSULKSKN-CNBITHIKSA-N 2 0 281.444 1.921 10 0 CDAERP CC[C@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+]CCCOC ZINC001732205026 1182855620 /nfs/dbraw/zinc/85/56/20/1182855620.db2.gz OAZJKJALYQPQPG-CQSZACIVSA-N 2 0 297.443 1.136 10 0 CDAERP O=C(Cc1ncc[nH]1)N1CCC(CC[NH2+]CCCF)CC1 ZINC001732298547 1182899737 /nfs/dbraw/zinc/89/97/37/1182899737.db2.gz BWINCNJDZKEJNJ-UHFFFAOYSA-N 2 0 296.390 1.530 10 0 CDAERP C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C[NH2+]CCF ZINC001732349340 1182921267 /nfs/dbraw/zinc/92/12/67/1182921267.db2.gz RPUVXMVMHWWIPP-OLZOCXBDSA-N 2 0 273.396 1.172 10 0 CDAERP CC(C)=CC[NH2+]CC[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001732755247 1183109800 /nfs/dbraw/zinc/10/98/00/1183109800.db2.gz RTJBSMQFECDBST-CQSZACIVSA-N 2 0 269.433 1.777 10 0 CDAERP CC[C@H](F)C[NH2+]C/C=C\CNC(=O)C1CC[NH+](C)CC1 ZINC001732895951 1183175080 /nfs/dbraw/zinc/17/50/80/1183175080.db2.gz WWNFFUALOCLWFJ-WSNITJDQSA-N 2 0 285.407 1.338 10 0 CDAERP CCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001734149274 1183675568 /nfs/dbraw/zinc/67/55/68/1183675568.db2.gz HHKCVHYGTLKZIG-CYBMUJFWSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@H](CCC[NH2+]CCCF)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001734234315 1183700568 /nfs/dbraw/zinc/70/05/68/1183700568.db2.gz QBGSYLXNKHMCBK-UKRRQHHQSA-N 2 0 299.434 1.562 10 0 CDAERP C[C@@H]1CCOCC[N@@H+]1C[C@H](O)CN(C)Cc1ccccc1 ZINC000305772424 1186652483 /nfs/dbraw/zinc/65/24/83/1186652483.db2.gz LAEKMRWDPWFLJZ-NVXWUHKLSA-N 2 0 292.423 1.590 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CC[NH+](C)[C@H]1C ZINC000922518246 783735516 /nfs/dbraw/zinc/73/55/16/783735516.db2.gz WLNPBGAWNKARCZ-AVGNSLFASA-N 2 0 270.421 1.107 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000713041081 783765724 /nfs/dbraw/zinc/76/57/24/783765724.db2.gz JYGGRBUZMUSHGM-KGLIPLIRSA-N 2 0 283.460 1.796 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)N(C)C[C@@H]2CCC[NH+](C)C2)CC[N@@H+]1C ZINC000925329587 783880353 /nfs/dbraw/zinc/88/03/53/783880353.db2.gz PTXHQNSEFKGHRR-MCIONIFRSA-N 2 0 282.432 1.062 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccnc1F ZINC000849024509 783942982 /nfs/dbraw/zinc/94/29/82/783942982.db2.gz KMAVACHQSUQJMO-LBPRGKRZSA-N 2 0 279.363 1.319 10 0 CDAERP CC1(C)[C@H]([NH2+]CCc2ccccn2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925494278 784012596 /nfs/dbraw/zinc/01/25/96/784012596.db2.gz JQEUDQVICSJCHA-QLFBSQMISA-N 2 0 259.397 1.990 10 0 CDAERP COc1ccc(CC[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1 ZINC000702047901 784034374 /nfs/dbraw/zinc/03/43/74/784034374.db2.gz FJBURTNOWNXNLY-GOEBONIOSA-N 2 0 260.381 1.779 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCC2(C)OCCO2)[C@H]2CCC[C@H]21 ZINC000796940488 784047843 /nfs/dbraw/zinc/04/78/43/784047843.db2.gz UFVCYGZCQGVGJD-HZSPNIEDSA-N 2 0 268.401 1.602 10 0 CDAERP C[N@@H+]1CCC[C@H]2CN(C(=O)C=C3CC[NH2+]CC3)CC[C@@H]21 ZINC000852888004 784088784 /nfs/dbraw/zinc/08/87/84/784088784.db2.gz GSFJBGWICPKVRN-GJZGRUSLSA-N 2 0 277.412 1.239 10 0 CDAERP C[NH+](C)CC[C@H](N[C@@H]1CCC[C@H]1[NH3+])c1cccnc1 ZINC000925826769 784090280 /nfs/dbraw/zinc/09/02/80/784090280.db2.gz JLFYYQIXRVENGX-QLFBSQMISA-N 2 0 262.401 1.544 10 0 CDAERP CC(C)C[C@H]([NH2+][C@H]1CC[C@@H]1C)C(=O)NCC[NH+](C)C ZINC000783279503 784426043 /nfs/dbraw/zinc/42/60/43/784426043.db2.gz KOSQPYAPOAQZCZ-IHRRRGAJSA-N 2 0 269.433 1.467 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH2+]CC2(C)C)C1 ZINC000711370315 784576282 /nfs/dbraw/zinc/57/62/82/784576282.db2.gz RDBBZAVDVDGIRO-VXGBXAGGSA-N 2 0 267.417 1.221 10 0 CDAERP C[N@@H+]1CC[C@@]2(CC[NH+](CCC3OCCCO3)C2)C1 ZINC000386547824 784686650 /nfs/dbraw/zinc/68/66/50/784686650.db2.gz SPJCZBDPJHYRPA-CQSZACIVSA-N 2 0 254.374 1.167 10 0 CDAERP Cc1ccc(C[C@H](CO)[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925644288 784781472 /nfs/dbraw/zinc/78/14/72/784781472.db2.gz JJHRYQKMPWWJAE-PMPSAXMXSA-N 2 0 274.408 1.758 10 0 CDAERP OC1CC(CC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925653828 784830077 /nfs/dbraw/zinc/83/00/77/784830077.db2.gz ZYACPNLUWBILJL-AHNOJICISA-N 2 0 266.429 1.905 10 0 CDAERP FCC1(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CCOCC1 ZINC000925683042 784832767 /nfs/dbraw/zinc/83/27/67/784832767.db2.gz JSHIESIJASHTID-YHQUGGNUSA-N 2 0 268.376 1.339 10 0 CDAERP CC[NH+]1CCC([NH2+]CCC[C@H]2CCOC2=O)CC1 ZINC000872112779 784905209 /nfs/dbraw/zinc/90/52/09/784905209.db2.gz LQJUGXVKFTUJBV-LBPRGKRZSA-N 2 0 254.374 1.404 10 0 CDAERP C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000831970250 784913887 /nfs/dbraw/zinc/91/38/87/784913887.db2.gz AUIQMOBEYIQTFH-KFWWJZLASA-N 2 0 281.444 1.885 10 0 CDAERP Cc1csc(C[C@H]2CC[N@@H+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)C2)n1 ZINC000923552334 784943031 /nfs/dbraw/zinc/94/30/31/784943031.db2.gz WCSKOIANCIXRLV-VOAKCMCISA-N 2 0 281.425 1.167 10 0 CDAERP C(CC1CC[NH2+]CC1)CN1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923534288 785037048 /nfs/dbraw/zinc/03/70/48/785037048.db2.gz SVXYOBVWSOLYGV-INIZCTEOSA-N 2 0 265.445 1.984 10 0 CDAERP CC(C)(C)c1csc(CN2CC[NH2+]CC[NH2+]CC2)n1 ZINC000923462275 785050234 /nfs/dbraw/zinc/05/02/34/785050234.db2.gz HWKBVYZDXCPBSF-UHFFFAOYSA-N 2 0 282.457 1.435 10 0 CDAERP CCOC(=O)[C@@H]1C[C@H]1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000929284138 785208903 /nfs/dbraw/zinc/20/89/03/785208903.db2.gz YUUIMMYDYQQMLQ-UONOGXRCSA-N 2 0 268.401 1.459 10 0 CDAERP CS(=O)(=O)C1(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)CCCC1 ZINC000925673215 785330922 /nfs/dbraw/zinc/33/09/22/785330922.db2.gz ZSVOLZAPSUTQIT-VXGBXAGGSA-N 2 0 286.441 1.203 10 0 CDAERP C[C@H]([NH2+]C[C@H]1CC2(C[NH2+]C2)CO1)c1cccc(F)c1F ZINC000923380353 785344123 /nfs/dbraw/zinc/34/41/23/785344123.db2.gz VIOSZTVRNUAPHQ-WDEREUQCSA-N 2 0 282.334 1.994 10 0 CDAERP C[NH2+]CCCC(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000870990760 785387208 /nfs/dbraw/zinc/38/72/08/785387208.db2.gz BDRDYVGOFRWQBZ-CQSZACIVSA-N 2 0 255.406 1.210 10 0 CDAERP C[C@@H]1C[C@H]([NH2+][C@@H](CCO)C2CCCC2)CCN1C ZINC000725096734 785409321 /nfs/dbraw/zinc/40/93/21/785409321.db2.gz VPHIEYOXTKZJAF-YUELXQCFSA-N 2 0 254.418 2.000 10 0 CDAERP COCC[C@H](COC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000310837455 785442499 /nfs/dbraw/zinc/44/24/99/785442499.db2.gz MWRCNHVDWNKLNY-RLAWYHOSSA-N 2 0 256.390 1.253 10 0 CDAERP CC(=O)N1CCC[C@@H](C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000925662454 785503893 /nfs/dbraw/zinc/50/38/93/785503893.db2.gz IHBMCJYIGRGVSW-XUWVNRHRSA-N 2 0 293.455 1.611 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(O)Cc2ccccc2C1 ZINC000925611644 785542890 /nfs/dbraw/zinc/54/28/90/785542890.db2.gz NXTRZJPYYJYHEJ-ZPVISIIKSA-N 2 0 286.419 1.622 10 0 CDAERP O[C@H](C[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1)C[NH+]1CCCC1 ZINC000723989954 785586469 /nfs/dbraw/zinc/58/64/69/785586469.db2.gz XVIAWZDSNHFDGK-OAGGEKHMSA-N 2 0 282.428 1.238 10 0 CDAERP Cc1ccc([C@H](C)[NH2+]CCN2CCC([NH3+])CC2)o1 ZINC000925809974 785630678 /nfs/dbraw/zinc/63/06/78/785630678.db2.gz LZMGYUZHROCKIX-LBPRGKRZSA-N 2 0 251.374 1.662 10 0 CDAERP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cccnc2-n2ccnc2)C1 ZINC000848715376 785805973 /nfs/dbraw/zinc/80/59/73/785805973.db2.gz XLPDJOAXFUILAT-UONOGXRCSA-N 2 0 271.368 1.627 10 0 CDAERP C[NH2+][C@H](C)Cc1noc(/C=C/[C@@H]2CCC[NH2+]C2)n1 ZINC000871788409 785831068 /nfs/dbraw/zinc/83/10/68/785831068.db2.gz KJZLRWAIFKJKPK-PVTPVBHGSA-N 2 0 250.346 1.233 10 0 CDAERP CC1(C)[C@@H]([NH2+]CCOC2CCOCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925877892 785851227 /nfs/dbraw/zinc/85/12/27/785851227.db2.gz NUFOVIHMUGJOLX-ILXRZTDVSA-N 2 0 282.428 1.548 10 0 CDAERP c1c[nH]c(N2CC[NH+](C[C@@H]3CCC4(CCC4)O3)CC2)n1 ZINC000878516064 785867977 /nfs/dbraw/zinc/86/79/77/785867977.db2.gz CBFDAPJZKMHJCC-ZDUSSCGKSA-N 2 0 276.384 1.633 10 0 CDAERP COC[C@H](C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1)C(C)C ZINC000930556375 786015247 /nfs/dbraw/zinc/01/52/47/786015247.db2.gz WCZJJYYNEPMUMQ-LSDHHAIUSA-N 2 0 254.418 1.933 10 0 CDAERP Cn1nccc1CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000850246965 786047250 /nfs/dbraw/zinc/04/72/50/786047250.db2.gz NJZSTKYGWVTQQY-UHFFFAOYSA-N 2 0 282.351 1.333 10 0 CDAERP COc1cccc(NC(=O)C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC000165317510 786047604 /nfs/dbraw/zinc/04/76/04/786047604.db2.gz CRSIHUBTKMMUKH-QWHCGFSZSA-N 2 0 291.395 1.550 10 0 CDAERP O[C@H](CN1CCCC1)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000314135143 786188408 /nfs/dbraw/zinc/18/84/08/786188408.db2.gz HMASJMZAUADKAH-YYIAUSFCSA-N 2 0 296.455 1.459 10 0 CDAERP C[C@@H](CN[C@H]1CC[NH2+]C12CCC2)[NH+]1CCCCC1 ZINC000925611435 786232571 /nfs/dbraw/zinc/23/25/71/786232571.db2.gz CLBHKPYHJDGIOX-KBPBESRZSA-N 2 0 251.418 1.735 10 0 CDAERP Cn1cnc(CCC[NH2+][C@@H]2CCCN3CCCC[C@H]23)n1 ZINC000926631512 786255016 /nfs/dbraw/zinc/25/50/16/786255016.db2.gz QRWAEGOOHMHFCW-ZIAGYGMSSA-N 2 0 277.416 1.354 10 0 CDAERP C[C@@H]1CCC[N@H+](CCCCNC(=[NH2+])N2CCO[C@@H](C)C2)C1 ZINC000848989899 786322227 /nfs/dbraw/zinc/32/22/27/786322227.db2.gz KFBYVLPALCIKMQ-CABCVRRESA-N 2 0 296.459 1.744 10 0 CDAERP C[C@H]1[C@H]2CC[C@@H](C[C@H]1NC1CC[NH+](CC3CC3)CC1)[NH2+]2 ZINC000925473247 786327618 /nfs/dbraw/zinc/32/76/18/786327618.db2.gz LGNBNMLGOJWWHO-KKBVYLPWSA-N 3 0 277.456 1.979 10 0 CDAERP C[C@H](c1ccc(F)c(F)c1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923461992 786353822 /nfs/dbraw/zinc/35/38/22/786353822.db2.gz ZPRCUURJGOETTL-LLVKDONJSA-N 2 0 269.339 1.521 10 0 CDAERP c1nn(-c2ccccc2)nc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000843128382 786529825 /nfs/dbraw/zinc/52/98/25/786529825.db2.gz WZJBADQPDYYYQU-UHFFFAOYSA-N 2 0 297.406 1.843 10 0 CDAERP CN(C)C(=O)NCC[N@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923372191 786560756 /nfs/dbraw/zinc/56/07/56/786560756.db2.gz FGKIYOSTHSJVGK-AGUYFDCRSA-N 2 0 282.432 1.110 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@]1(O)CCCc2ccccc21 ZINC000817914825 786577892 /nfs/dbraw/zinc/57/78/92/786577892.db2.gz YZBMDZFGFSTZHL-RDJZCZTQSA-N 2 0 292.423 1.554 10 0 CDAERP COC1(OC)CC[C@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000710931138 786656194 /nfs/dbraw/zinc/65/61/94/786656194.db2.gz HYQABCBHPWYWLV-GFCCVEGCSA-N 2 0 256.390 1.459 10 0 CDAERP C[C@@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)C1CC[NH+](C)CC1 ZINC000723590043 786726276 /nfs/dbraw/zinc/72/62/76/786726276.db2.gz SGZBIFAFJYXBJO-CHWSQXEVSA-N 2 0 267.417 1.175 10 0 CDAERP CCCCO[C@H]1C[C@@H]([NH2+]CCN2CCC([NH3+])CC2)C1(C)C ZINC000925816213 786773371 /nfs/dbraw/zinc/77/33/71/786773371.db2.gz WYCMYNPJWJPWQR-CVEARBPZSA-N 2 0 297.487 1.983 10 0 CDAERP CC[N@H+](CCNC(=O)N1CC[C@@H]2[C@H](CC[NH+]2C)C1)C1CC1 ZINC000868218631 786809765 /nfs/dbraw/zinc/80/97/65/786809765.db2.gz IBANPENRSVMIOD-UKRRQHHQSA-N 2 0 294.443 1.206 10 0 CDAERP C([C@H]1CCC[NH2+]C1)[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000261957390 786826302 /nfs/dbraw/zinc/82/63/02/786826302.db2.gz OUKOGYZTDLQRSU-GJZGRUSLSA-N 2 0 252.402 1.879 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC(C)(C)[C@@]1(O)CCOC1 ZINC000926638431 786827589 /nfs/dbraw/zinc/82/75/89/786827589.db2.gz OQCFFUOCJHHZDU-LBEMJPCMSA-N 2 0 282.428 1.094 10 0 CDAERP CC[C@H]1CCN(C(=[NH2+])NC[C@@H](C)[N@H+](C)C2CC2)C1 ZINC000864456497 786838050 /nfs/dbraw/zinc/83/80/50/786838050.db2.gz HRQQLENCDSAKER-NEPJUHHUSA-N 2 0 252.406 1.725 10 0 CDAERP C[C@H](CNC(=[NH2+])N[C@H]1C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000864455920 786863814 /nfs/dbraw/zinc/86/38/14/786863814.db2.gz CYGOODQAVOUVLM-XQQFMLRXSA-N 2 0 252.406 1.629 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)Cc1cn2c(n1)CCCC2 ZINC000845503893 786873903 /nfs/dbraw/zinc/87/39/03/786873903.db2.gz FZBVLTWRFQGKDP-AWEZNQCLSA-N 2 0 292.427 1.464 10 0 CDAERP CC(C)(C)[C@H]([NH3+])Cc1nc([C@H]2CN3CCC[C@@H]3CO2)no1 ZINC000091747756 787009754 /nfs/dbraw/zinc/00/97/54/787009754.db2.gz TWZFJVMBNOFLCO-IJLUTSLNSA-N 2 0 294.399 1.521 10 0 CDAERP Cc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923504896 787077701 /nfs/dbraw/zinc/07/77/01/787077701.db2.gz VXSPTKOTUXLJOB-ZBFHGGJFSA-N 2 0 289.423 1.528 10 0 CDAERP C[C@H]1C[N@H+](CC(=O)NCc2cccs2)CC[C@H]1C[NH3+] ZINC000923503921 787081272 /nfs/dbraw/zinc/08/12/72/787081272.db2.gz MLLWEVWIWDZACI-RYUDHWBXSA-N 2 0 281.425 1.281 10 0 CDAERP CC[C@@H]1CCN(C(=[NH2+])NCC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000864467550 787097042 /nfs/dbraw/zinc/09/70/42/787097042.db2.gz ZADXIZDXAGMLJI-KGLIPLIRSA-N 2 0 266.433 1.975 10 0 CDAERP COCCN1CC[C@@H]([NH2+]C2CCC(C)([NH+](C)C)CC2)C1 ZINC000715578109 787138550 /nfs/dbraw/zinc/13/85/50/787138550.db2.gz DCAMAGHKQMSOQQ-HWOWSKLDSA-N 2 0 283.460 1.560 10 0 CDAERP CS(=O)(=O)CC1(CC[NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925711150 787155843 /nfs/dbraw/zinc/15/58/43/787155843.db2.gz DHJIHNKQHGYXKD-LBPRGKRZSA-N 2 0 286.441 1.076 10 0 CDAERP Nc1cc[nH+]c2c1CN(CCCn1ccnc1)CC2 ZINC000931514927 787185467 /nfs/dbraw/zinc/18/54/67/787185467.db2.gz IFUIORYFBYSRLM-UHFFFAOYSA-N 2 0 257.341 1.309 10 0 CDAERP Cc1nccn1CCC[NH2+]C1[C@H](C)COC[C@H]1C ZINC000924711373 787280484 /nfs/dbraw/zinc/28/04/84/787280484.db2.gz BMBOVWSZMBNDFW-VXGBXAGGSA-N 2 0 251.374 1.842 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000926767381 787293077 /nfs/dbraw/zinc/29/30/77/787293077.db2.gz KVZXRVNWRGVPJS-PFNKYVCDSA-N 2 0 250.386 1.484 10 0 CDAERP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCc2nnc(C)o2)C1 ZINC000929770207 787317193 /nfs/dbraw/zinc/31/71/93/787317193.db2.gz CLRAPEREVIIMLG-AWEZNQCLSA-N 2 0 296.415 1.353 10 0 CDAERP CCN[C@H](C)c1nc([C@H]2CN3CCC[C@H]3CO2)no1 ZINC000252548710 787352774 /nfs/dbraw/zinc/35/27/74/787352774.db2.gz MWMXEQOOVACYCM-OUAUKWLOSA-N 2 0 266.345 1.276 10 0 CDAERP CC[C@H](COC)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925847198 787400031 /nfs/dbraw/zinc/40/00/31/787400031.db2.gz WYCJIZYQCXMWRZ-CQSZACIVSA-N 2 0 257.422 1.077 10 0 CDAERP Cc1cc(C)cc(OC[C@@H](O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000923515551 787568389 /nfs/dbraw/zinc/56/83/89/787568389.db2.gz ZXKBMCSIPAVDII-OAGGEKHMSA-N 2 0 292.423 1.570 10 0 CDAERP C[C@@H]1CC2(CC([NH2+]CCCC[NH+]3CCN(C)CC3)C2)CO1 ZINC000924663549 787626225 /nfs/dbraw/zinc/62/62/25/787626225.db2.gz WBQWIVOYHLSRSD-KLAILNCOSA-N 2 0 295.471 1.561 10 0 CDAERP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(F)cc1 ZINC000925811005 787742128 /nfs/dbraw/zinc/74/21/28/787742128.db2.gz PVBQCYOYCIKYKS-GFCCVEGCSA-N 2 0 265.376 1.899 10 0 CDAERP CCn1nnc(C)c1C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923489839 787746409 /nfs/dbraw/zinc/74/64/09/787746409.db2.gz MBAKULPAEDIEKQ-ZYHUDNBSSA-N 2 0 251.378 1.023 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2cccnc2N)C1 ZINC000866710307 787804804 /nfs/dbraw/zinc/80/48/04/787804804.db2.gz XWFGZDWTUBMBMX-OAHLLOKOSA-N 2 0 262.401 1.861 10 0 CDAERP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000924752513 787805385 /nfs/dbraw/zinc/80/53/85/787805385.db2.gz BESHMNMHIKSLFN-KKUMJFAQSA-N 2 0 270.417 1.094 10 0 CDAERP C[C@@H]1C[N@H+](Cc2cc(=O)n3ccsc3n2)C[C@H]1CC[NH3+] ZINC000723890651 787809983 /nfs/dbraw/zinc/80/99/83/787809983.db2.gz HBDLGPPEEHARMV-GHMZBOCLSA-N 2 0 292.408 1.173 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000844164193 787811603 /nfs/dbraw/zinc/81/16/03/787811603.db2.gz LMVVYNCURJNIMU-UHFFFAOYSA-N 2 0 275.396 1.766 10 0 CDAERP COC(CC[N@H+](C)C1CC[NH+](C(C)C)CC1)OC ZINC000851745039 787812324 /nfs/dbraw/zinc/81/23/24/787812324.db2.gz VILAXFUWLRXURN-UHFFFAOYSA-N 2 0 258.406 1.800 10 0 CDAERP C[C@@H]1[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)CO[C@H]1C ZINC000925094325 787813754 /nfs/dbraw/zinc/81/37/54/787813754.db2.gz NJELJKZTUVYBEO-YXWQFLTLSA-N 2 0 282.428 1.500 10 0 CDAERP c1[nH]nc2c1[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@H]3C1)CCC2 ZINC000817986410 787814669 /nfs/dbraw/zinc/81/46/69/787814669.db2.gz LRJBBKYKWSPLBV-HKUMRIAESA-N 2 0 260.385 1.765 10 0 CDAERP CC1(C)CC[C@@H](C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)OC1 ZINC000713595587 787815070 /nfs/dbraw/zinc/81/50/70/787815070.db2.gz IEDVVGCXRNMDHA-CABCVRRESA-N 2 0 281.444 1.171 10 0 CDAERP CC1(C)CC(NC(=O)[C@@]23CC[N@H+](C2)CCC3)CC(C)(C)[NH2+]1 ZINC000895542002 787831193 /nfs/dbraw/zinc/83/11/93/787831193.db2.gz RZFMLYKXROGJTO-KRWDZBQOSA-N 2 0 293.455 1.898 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)NC1CC[NH+](CC2CC2)CC1 ZINC000852859494 787835115 /nfs/dbraw/zinc/83/51/15/787835115.db2.gz VRZYBHDOLGCCEB-UHFFFAOYSA-N 2 0 277.412 1.287 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+][C@@H](CCO)C2CCCC2)CCN1C ZINC000725096732 787870094 /nfs/dbraw/zinc/87/00/94/787870094.db2.gz VPHIEYOXTKZJAF-SNPRPXQTSA-N 2 0 254.418 2.000 10 0 CDAERP C[C@@H]1C[N@H+](Cc2cn3cccnc3n2)CC[C@@H]1C[NH3+] ZINC000923501723 787876591 /nfs/dbraw/zinc/87/65/91/787876591.db2.gz TUEVQKUVNYABQQ-VXGBXAGGSA-N 2 0 259.357 1.146 10 0 CDAERP C[NH+](C)C[C@@H]1CN(C(=O)/C=C\C2CC2)C[C@H]1C[NH+](C)C ZINC000870021649 787887139 /nfs/dbraw/zinc/88/71/39/787887139.db2.gz SHSMXOVNCJBNHY-AZJURWTESA-N 2 0 279.428 1.150 10 0 CDAERP CC[C@@H]1C[N@H+](CC)CCN1C(=O)N[C@H]1CC[NH+](C)[C@H]1C ZINC000925344132 787895134 /nfs/dbraw/zinc/89/51/34/787895134.db2.gz YPXGMVUCTGQDKC-MJBXVCDLSA-N 2 0 282.432 1.205 10 0 CDAERP C[NH+](C)C1(C)CCC(NC(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000868363142 788001718 /nfs/dbraw/zinc/00/17/18/788001718.db2.gz JVPBRONPKRBIEA-BBBYJDLNSA-N 2 0 296.459 1.643 10 0 CDAERP COC(=O)N1CCC([NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000863482864 788030314 /nfs/dbraw/zinc/03/03/14/788030314.db2.gz MHSXFLREXVXIFZ-LBPRGKRZSA-N 2 0 267.373 1.091 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000825765025 788083580 /nfs/dbraw/zinc/08/35/80/788083580.db2.gz SCRJKBBQLPAJIJ-OWCLPIDISA-N 2 0 293.455 1.804 10 0 CDAERP [NH3+]CCCOC1CC[NH+](C[C@H]2CC[C@H](C3CC3)O2)CC1 ZINC000715392457 788088124 /nfs/dbraw/zinc/08/81/24/788088124.db2.gz ZBNFFULPRJHCPR-HZPDHXFCSA-N 2 0 282.428 1.774 10 0 CDAERP COC(=O)c1coc([C@@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000925881165 788111126 /nfs/dbraw/zinc/11/11/26/788111126.db2.gz YJSXNXDGMHUOHK-FOGDFJRCSA-N 2 0 266.341 1.844 10 0 CDAERP COCC[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)C1CCOCC1 ZINC000716415767 788271527 /nfs/dbraw/zinc/27/15/27/788271527.db2.gz OFMHLEILHMEBPY-OLZOCXBDSA-N 2 0 256.390 1.241 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](O)c1ccc(Cl)cc1 ZINC000817898766 788284548 /nfs/dbraw/zinc/28/45/48/788284548.db2.gz JYECVHXKHVIGJP-UONOGXRCSA-N 2 0 286.803 1.717 10 0 CDAERP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C=C2CC[NH2+]CC2)C1 ZINC000852859351 788285815 /nfs/dbraw/zinc/28/58/15/788285815.db2.gz RSWJVFFURVIZII-GJZGRUSLSA-N 2 0 293.455 1.780 10 0 CDAERP Cc1cc(CC[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)nn1C ZINC000925832021 788294690 /nfs/dbraw/zinc/29/46/90/788294690.db2.gz FNQORXJBDNYCPC-GFCCVEGCSA-N 2 0 287.411 1.784 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000715543402 788335320 /nfs/dbraw/zinc/33/53/20/788335320.db2.gz NDMBWCNCFURRDU-SLTAFYQDSA-N 3 0 271.449 1.593 10 0 CDAERP COCC[N@@H+](C/C(C)=C\C(=O)OC)CC1CC[NH+](C)CC1 ZINC000931379602 788371271 /nfs/dbraw/zinc/37/12/71/788371271.db2.gz BHVPEWUIQPOHMF-KAMYIIQDSA-N 2 0 298.427 1.396 10 0 CDAERP CC(C)CN(C(=O)C=C1CC[NH2+]CC1)C1CC[NH+](C)CC1 ZINC000852883019 788414075 /nfs/dbraw/zinc/41/40/75/788414075.db2.gz DEERBMUARBKJJV-UHFFFAOYSA-N 2 0 293.455 1.875 10 0 CDAERP COC(=O)CCCC[NH+]1C[C@@]2(C)CN(C)C[C@]2(C)C1 ZINC000707504984 788446610 /nfs/dbraw/zinc/44/66/10/788446610.db2.gz PUSHBQMFIBIMFY-HUUCEWRRSA-N 2 0 268.401 1.603 10 0 CDAERP COCCN(C)C[C@@H](O)C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000847011529 788478908 /nfs/dbraw/zinc/47/89/08/788478908.db2.gz DHRDDHZCFRZVCL-OLZOCXBDSA-N 2 0 292.370 1.047 10 0 CDAERP C[C@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)Cn1cccn1 ZINC000858101877 788481090 /nfs/dbraw/zinc/48/10/90/788481090.db2.gz JCGQUTNSMYNWIB-KGLIPLIRSA-N 2 0 264.417 1.982 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711357477 788533103 /nfs/dbraw/zinc/53/31/03/788533103.db2.gz XJETZQUFJMOECP-VXGBXAGGSA-N 2 0 255.406 1.079 10 0 CDAERP CC[C@H](C[C@@](C)(O)CC)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000926356370 788611526 /nfs/dbraw/zinc/61/15/26/788611526.db2.gz HPLUFKAWDBHQHY-WBVHZDCISA-N 2 0 299.503 1.932 10 0 CDAERP Cn1cc(CN2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c(Cl)n1 ZINC000857046099 788653840 /nfs/dbraw/zinc/65/38/40/788653840.db2.gz HOFOHGXWHKFOEY-DGCLKSJQSA-N 2 0 282.819 1.990 10 0 CDAERP CC(C)COC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000923364701 788667319 /nfs/dbraw/zinc/66/73/19/788667319.db2.gz QHISQKRZFRQKPR-BZUAXINKSA-N 2 0 284.444 1.484 10 0 CDAERP C[C@H](C[NH2+][C@H]1CCOC2(CCCC2)C1)N1CC[NH+](C)CC1 ZINC000872032874 788812340 /nfs/dbraw/zinc/81/23/40/788812340.db2.gz BIDNQLBOWXIEDY-CVEARBPZSA-N 2 0 295.471 1.704 10 0 CDAERP [NH3+][C@H]1CCC[C@@H]1[NH2+]CC1(n2cc(Br)cn2)CC1 ZINC000925840245 788812447 /nfs/dbraw/zinc/81/24/47/788812447.db2.gz UVHSNQOBRGMRMN-QWRGUYRKSA-N 2 0 299.216 1.604 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H](O)c1ccccc1 ZINC000924555506 788837072 /nfs/dbraw/zinc/83/70/72/788837072.db2.gz XMLXUGUZQQLAHQ-IUOOZAAYSA-N 2 0 260.381 1.650 10 0 CDAERP COc1c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c(C)nn1C ZINC000261940804 788855555 /nfs/dbraw/zinc/85/55/55/788855555.db2.gz DQGZRBAOWFUAPC-UHFFFAOYSA-N 2 0 278.400 1.313 10 0 CDAERP [NH3+]C[C@@H]1C[N@H+](CCCCCCO)C[C@H]1C(F)(F)F ZINC000720845094 788859855 /nfs/dbraw/zinc/85/98/55/788859855.db2.gz MOYISIIUMWMOMY-GHMZBOCLSA-N 2 0 268.323 1.608 10 0 CDAERP [NH3+][C@@H]1CCCCC[C@@H]1NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925842207 788862683 /nfs/dbraw/zinc/86/26/83/788862683.db2.gz YJCDAHDCIRXDAV-LXTVHRRPSA-N 2 0 251.418 1.768 10 0 CDAERP C[NH+]1CCC2(CC1)C[N@H+](CC[C@@H]1COC(C)(C)O1)CCO2 ZINC000852207876 788899670 /nfs/dbraw/zinc/89/96/70/788899670.db2.gz OODNITMXRYQWGP-CQSZACIVSA-N 2 0 298.427 1.325 10 0 CDAERP C[NH+](C)CCOCC[NH2+]Cc1nccc2c1CCCC2 ZINC000922008339 789012758 /nfs/dbraw/zinc/01/27/58/789012758.db2.gz LPVHTLAWRCXAGM-UHFFFAOYSA-N 2 0 277.412 1.628 10 0 CDAERP [NH3+]CC1CCC([NH2+]C[C@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000848721662 789020843 /nfs/dbraw/zinc/02/08/43/789020843.db2.gz MQZMMALKIAKDKB-XIVSLSHWSA-N 2 0 267.373 1.077 10 0 CDAERP C[NH+]1CCC(NC(=O)C[N@@H+]2CCCC23CCC3)CC1 ZINC000878519001 789056797 /nfs/dbraw/zinc/05/67/97/789056797.db2.gz YIFCYURGBTWGKP-UHFFFAOYSA-N 2 0 265.401 1.215 10 0 CDAERP [NH3+]CCOCC[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923505474 789058960 /nfs/dbraw/zinc/05/89/60/789058960.db2.gz CBBSNSOIHMWTSL-CQSZACIVSA-N 3 0 269.433 1.063 10 0 CDAERP COc1cccc(C[C@H](C)[NH2+]CCN2CCC([NH3+])CC2)n1 ZINC000925813023 789071377 /nfs/dbraw/zinc/07/13/77/789071377.db2.gz QUNMIOSGCBUNKM-ZDUSSCGKSA-N 2 0 292.427 1.034 10 0 CDAERP [NH2+]=C(NCCC[NH+]1CCCCC1)NC[C@@H]1CCCO1 ZINC000848982671 789088019 /nfs/dbraw/zinc/08/80/19/789088019.db2.gz TYJWAZQGMOZJPK-ZDUSSCGKSA-N 2 0 268.405 1.155 10 0 CDAERP O=C1O[C@@H](C[NH2+][C@@H]2CCCSC2)CC12CC[NH2+]CC2 ZINC000925851957 789116990 /nfs/dbraw/zinc/11/69/90/789116990.db2.gz AYPHMECLPVHKGT-VXGBXAGGSA-N 2 0 284.425 1.157 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872288996 789172493 /nfs/dbraw/zinc/17/24/93/789172493.db2.gz VYEXWAXRBSAMHR-FVCCEPFGSA-N 2 0 253.390 1.008 10 0 CDAERP CC[NH2+]Cc1ccccc1NC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000841846116 789293531 /nfs/dbraw/zinc/29/35/31/789293531.db2.gz LTZLUIWFOWEFMN-AWEZNQCLSA-N 2 0 291.395 1.503 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)/C=C\[C@H]1CCCO1 ZINC000855345067 789377854 /nfs/dbraw/zinc/37/78/54/789377854.db2.gz LXYVGNVXMFHANB-STUIXMSNSA-N 2 0 297.443 1.110 10 0 CDAERP C(C[NH2+]C1CC1)CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000923327695 789415768 /nfs/dbraw/zinc/41/57/68/789415768.db2.gz HDEAYVOUHIMMLZ-DZGCQCFKSA-N 2 0 251.418 1.593 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)[C@H]2[NH2+]CC2(C)C)C1 ZINC000870991339 789553148 /nfs/dbraw/zinc/55/31/48/789553148.db2.gz DVTXDMATOUVNRC-ABAIWWIYSA-N 2 0 267.417 1.208 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@@H]2C[NH2+]CC2(C)C)C1 ZINC000711355367 789618244 /nfs/dbraw/zinc/61/82/44/789618244.db2.gz DKQRYLJJYYMJGC-XQQFMLRXSA-N 2 0 267.417 1.221 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000838792775 789642782 /nfs/dbraw/zinc/64/27/82/789642782.db2.gz YQKVFFHXNWBYFG-OAHLLOKOSA-N 2 0 254.418 1.811 10 0 CDAERP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(C)nn1 ZINC000720588760 789646982 /nfs/dbraw/zinc/64/69/82/789646982.db2.gz YTBRODANYLQOQV-CFVMTHIKSA-N 2 0 260.385 1.653 10 0 CDAERP CC[S@](=O)CC[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21 ZINC000796762409 789707827 /nfs/dbraw/zinc/70/78/27/789707827.db2.gz UZFVEORIAZEOIQ-ZBYUQBLASA-N 2 0 258.431 1.217 10 0 CDAERP Cc1ccsc1CNC(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923498203 789716467 /nfs/dbraw/zinc/71/64/67/789716467.db2.gz KAVAFRDZWGLIIO-CHWSQXEVSA-N 2 0 295.452 1.589 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCOC(F)F)[C@H](C)C1 ZINC000851846996 789733626 /nfs/dbraw/zinc/73/36/26/789733626.db2.gz MTANYQZNVAGGEN-MNOVXSKESA-N 2 0 250.333 1.888 10 0 CDAERP C[NH2+]CCCN1CCC(C)([NH+]2CCCCC2)CC1 ZINC000872146081 789793207 /nfs/dbraw/zinc/79/32/07/789793207.db2.gz FEUBYXOKDKNGBB-UHFFFAOYSA-N 2 0 253.434 1.936 10 0 CDAERP CC1(C)C[C@@H]([NH2+][C@H]2CCN(C3CC3)C2)C[C@@H]([NH3+])C1 ZINC000925494102 789804259 /nfs/dbraw/zinc/80/42/59/789804259.db2.gz JKISYMNOCJYRTO-AGIUHOORSA-N 2 0 251.418 1.719 10 0 CDAERP CC1(C)[C@@H](N[C@H]2C[NH2+]CCC2(F)F)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925705935 789835091 /nfs/dbraw/zinc/83/50/91/789835091.db2.gz JBYHYFASRBXEQD-RHYQMDGZSA-N 2 0 273.371 1.350 10 0 CDAERP C[N@@H+](Cc1cccc(F)c1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923298165 789837726 /nfs/dbraw/zinc/83/77/26/789837726.db2.gz SNOPTBSVMOOXRF-CQSZACIVSA-N 2 0 264.344 1.636 10 0 CDAERP C[C@@H]1C[C@H]1NC(=[NH2+])NCCC[NH+]1CCCCCC1 ZINC000864452433 789851525 /nfs/dbraw/zinc/85/15/25/789851525.db2.gz QGELZWCQVHWUED-CHWSQXEVSA-N 2 0 252.406 1.775 10 0 CDAERP CC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001640213831 1167005116 /nfs/dbraw/zinc/00/51/16/1167005116.db2.gz MDHLWSDQZJDTJR-ZIAGYGMSSA-N 2 0 267.417 1.176 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001646285791 1167747911 /nfs/dbraw/zinc/74/79/11/1167747911.db2.gz PJSIPPLETFUQCZ-MJBXVCDLSA-N 2 0 282.432 1.205 10 0 CDAERP CCCC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001567140407 1168046813 /nfs/dbraw/zinc/04/68/13/1168046813.db2.gz LIEUICSFRNFXIH-HUUCEWRRSA-N 2 0 281.444 1.566 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001568190670 1168095802 /nfs/dbraw/zinc/09/58/02/1168095802.db2.gz NOSUTSRNZHVHPI-OLZOCXBDSA-N 2 0 287.423 1.418 10 0 CDAERP CC[NH+](CC)CCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001566553219 1168335405 /nfs/dbraw/zinc/33/54/05/1168335405.db2.gz OBLUBGGTXRPELR-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP CCCCC[N@@H+]1CC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001483662248 912409109 /nfs/dbraw/zinc/40/91/09/912409109.db2.gz JJJMGKPHZUQZTL-HNNXBMFYSA-N 2 0 293.455 1.996 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001433970194 912674407 /nfs/dbraw/zinc/67/44/07/912674407.db2.gz SLOAKKNYVUHHOP-ZFWWWQNUSA-N 2 0 281.444 1.707 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1CCC(C)(C)C ZINC001483690006 912769144 /nfs/dbraw/zinc/76/91/44/912769144.db2.gz UXDJBFSQVFXYSH-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]1CC[N@@H+]1CCC1CC1)[NH+](C)C ZINC001483694879 912873264 /nfs/dbraw/zinc/87/32/64/912873264.db2.gz OLKHWIOGFUOBSO-UONOGXRCSA-N 2 0 267.417 1.317 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[C@@H]1C[NH3+])c1ccccc1 ZINC000715076867 913225697 /nfs/dbraw/zinc/22/56/97/913225697.db2.gz BNEGUUVCZPOYNK-MGPQQGTHSA-N 2 0 261.369 1.000 10 0 CDAERP CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001272524748 913372548 /nfs/dbraw/zinc/37/25/48/913372548.db2.gz VNTIOSAZIYAKEH-ZIAGYGMSSA-N 2 0 267.417 1.319 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1CC=C(C)C ZINC001266492142 895045478 /nfs/dbraw/zinc/04/54/78/895045478.db2.gz JDUXOPBXIJFXQV-HNNXBMFYSA-N 2 0 281.444 1.875 10 0 CDAERP CCCCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001266525349 895224470 /nfs/dbraw/zinc/22/44/70/895224470.db2.gz HWROHZRMAXZYLL-HUUCEWRRSA-N 2 0 281.444 1.709 10 0 CDAERP CCCCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001266530924 895243866 /nfs/dbraw/zinc/24/38/66/895243866.db2.gz ODGWLLCIBQAHDY-AWEZNQCLSA-N 2 0 281.444 1.851 10 0 CDAERP CCC[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001266699391 895856747 /nfs/dbraw/zinc/85/67/47/895856747.db2.gz HOTLOMQGGSLMHA-CYBMUJFWSA-N 2 0 255.406 1.317 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000721475545 895893851 /nfs/dbraw/zinc/89/38/51/895893851.db2.gz ADNZWZMPIDMGOZ-GHMZBOCLSA-N 2 0 284.322 1.264 10 0 CDAERP CC(C)n1ccc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)n1 ZINC000723882769 896249615 /nfs/dbraw/zinc/24/96/15/896249615.db2.gz KUPBAFMISLCZCR-CHWSQXEVSA-N 2 0 250.390 1.881 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)NC2CCCCCC2)C[C@H]1CC[NH3+] ZINC000723891767 896255174 /nfs/dbraw/zinc/25/51/74/896255174.db2.gz RCOLRBQIPIJCIR-ZIAGYGMSSA-N 2 0 281.444 1.742 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H](C[NH2+]CCCF)C2)C1 ZINC001267064053 896667630 /nfs/dbraw/zinc/66/76/30/896667630.db2.gz CDRNPQJUMPPXOT-KGLIPLIRSA-N 2 0 285.407 1.126 10 0 CDAERP C[C@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCCF ZINC001267134683 896889757 /nfs/dbraw/zinc/88/97/57/896889757.db2.gz LFIPDQWKWDHYSW-OLZOCXBDSA-N 2 0 273.396 1.315 10 0 CDAERP CN(CC[NH2+]CC1CCCCC1)C(=O)CC[NH+](C)C ZINC001567555629 1168852793 /nfs/dbraw/zinc/85/27/93/1168852793.db2.gz VXJROVNXCYFPTK-UHFFFAOYSA-N 2 0 269.433 1.566 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]CC2=CCCCC2)C1 ZINC001567560362 1168854705 /nfs/dbraw/zinc/85/47/05/1168854705.db2.gz ASXFJOATZMCWSX-OAHLLOKOSA-N 2 0 293.455 1.877 10 0 CDAERP C[C@@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)C1CC[NH+](C)CC1 ZINC000724661199 897230856 /nfs/dbraw/zinc/23/08/56/897230856.db2.gz VBYVQRNRAMVJMD-NGFQHRJXSA-N 2 0 268.401 1.110 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+](CCCF)C2)C1 ZINC001481111926 898881544 /nfs/dbraw/zinc/88/15/44/898881544.db2.gz LFYGETFLSLHNKP-ZIAGYGMSSA-N 2 0 285.407 1.126 10 0 CDAERP Cn1cc(C[N@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC000093678117 900653497 /nfs/dbraw/zinc/65/34/97/900653497.db2.gz PHWFTKRVVAZVBL-LQDVMPOASA-N 2 0 262.401 1.773 10 0 CDAERP C[NH+](C)CCC(=O)NCC1C[NH+](CC2CC(F)(F)C2)C1 ZINC001481642205 901579220 /nfs/dbraw/zinc/57/92/20/901579220.db2.gz DPEFSGAPGAOYLE-UHFFFAOYSA-N 2 0 289.370 1.031 10 0 CDAERP CCCC[NH2+][C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C(C)C ZINC001268224724 901601739 /nfs/dbraw/zinc/60/17/39/901601739.db2.gz WOFPWUVOECIBDN-HUUCEWRRSA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CC[NH+](C)C ZINC001268286435 901748826 /nfs/dbraw/zinc/74/88/26/901748826.db2.gz KVABZPPXQKASLL-LSDHHAIUSA-N 2 0 283.460 1.859 10 0 CDAERP CC[C@@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001481677862 901786905 /nfs/dbraw/zinc/78/69/05/901786905.db2.gz MOUMKHVCNXQVPS-ILXRZTDVSA-N 2 0 281.444 1.659 10 0 CDAERP C[C@H](CC[NH2+]C/C=C/Cl)NC(=O)C[N@H+](C)C1CCC1 ZINC001268372947 901956216 /nfs/dbraw/zinc/95/62/16/901956216.db2.gz NIDNJYMVOXCFPM-WNPFHQFXSA-N 2 0 287.835 1.708 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC1=CCCCC1 ZINC001481875830 902252092 /nfs/dbraw/zinc/25/20/92/902252092.db2.gz QIHTYYLQPRJNCJ-HZPDHXFCSA-N 2 0 293.455 1.923 10 0 CDAERP CCCCC[NH2+]C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001482066708 902596413 /nfs/dbraw/zinc/59/64/13/902596413.db2.gz GTPJSDUIWCDZLO-OAHLLOKOSA-N 2 0 281.444 1.853 10 0 CDAERP C[C@@H](C(=O)NC/C=C/C[NH2+]CCCF)[NH+]1CCCCCC1 ZINC001268597640 902794968 /nfs/dbraw/zinc/79/49/68/902794968.db2.gz TXCOWSADJKFVGG-RGDDUWESSA-N 2 0 299.434 1.873 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc2ccccc2)C1 ZINC001268625368 902837517 /nfs/dbraw/zinc/83/75/17/902837517.db2.gz GYDCAJUVLAKTDM-OGZRUICASA-N 2 0 287.407 1.400 10 0 CDAERP C[C@H](C[NH2+]CCC(F)(F)F)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268644986 902885024 /nfs/dbraw/zinc/88/50/24/902885024.db2.gz FQXKLROKHCIBIV-GMTAPVOTSA-N 2 0 295.349 1.373 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C[NH2+]CC1=CCCCC1)[NH+](C)C ZINC001268668846 902929857 /nfs/dbraw/zinc/92/98/57/902929857.db2.gz DDAJJJKWZWUAOL-UKRRQHHQSA-N 2 0 281.444 1.921 10 0 CDAERP CN(CCC[NH2+]C/C=C/Cl)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268784079 903128292 /nfs/dbraw/zinc/12/82/92/903128292.db2.gz QSWKRIKXVSZRJV-RPTYSRGTSA-N 2 0 273.808 1.271 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]2[C@@H](CC[NH+]2CCCF)C1 ZINC001422250337 903596633 /nfs/dbraw/zinc/59/66/33/903596633.db2.gz SJNMUHOZXTYINE-LSDHHAIUSA-N 2 0 299.434 1.609 10 0 CDAERP CCC[NH2+]C[C@](C)(NC(=O)[C@H](CC)[NH+](C)C)C1CC1 ZINC001269634143 903997256 /nfs/dbraw/zinc/99/72/56/903997256.db2.gz LAQCTJKYRKJDEH-ZFWWWQNUSA-N 2 0 269.433 1.611 10 0 CDAERP CC/C=C/CC[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001567847603 1169014691 /nfs/dbraw/zinc/01/46/91/1169014691.db2.gz OQHUMYQORMPKSR-MBVDDHJVSA-N 2 0 279.428 1.342 10 0 CDAERP C[C@H](C[NH2+]C/C=C/Cl)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001482300107 904782285 /nfs/dbraw/zinc/78/22/85/904782285.db2.gz XNYDAXPEPRRWIG-DZTBXEGKSA-N 2 0 287.835 1.660 10 0 CDAERP CSCC[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001363844904 904891289 /nfs/dbraw/zinc/89/12/89/904891289.db2.gz ACBORFOXSFKATA-UHFFFAOYSA-N 2 0 272.458 1.662 10 0 CDAERP CCC(CC)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001482364032 905202794 /nfs/dbraw/zinc/20/27/94/905202794.db2.gz AIMDTUSASGNZJV-ZFWWWQNUSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)OCC[NH2+]CC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001272993432 921344603 /nfs/dbraw/zinc/34/46/03/921344603.db2.gz IAQBKTDNABXAEE-CQSZACIVSA-N 2 0 299.459 1.238 10 0 CDAERP CCC[NH2+]CC[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001482885367 908459172 /nfs/dbraw/zinc/45/91/72/908459172.db2.gz NYSRIFVHTWNZRP-CQSZACIVSA-N 2 0 269.433 1.613 10 0 CDAERP CCN(CC[NH2+]C(C)C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001482969799 908555217 /nfs/dbraw/zinc/55/52/17/908555217.db2.gz KSXWOPRFWSMSAV-ZIAGYGMSSA-N 2 0 269.433 1.706 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]C(C)C)CC[N@@H+]1C ZINC001483130696 909722839 /nfs/dbraw/zinc/72/28/39/909722839.db2.gz ZOHQMLWRKFCYKB-FRRDWIJNSA-N 2 0 255.406 1.219 10 0 CDAERP CC[C@@H](F)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C ZINC001425980546 910423703 /nfs/dbraw/zinc/42/37/03/910423703.db2.gz XGSWEWOFAOAEDW-ZIAGYGMSSA-N 2 0 299.434 1.657 10 0 CDAERP CC[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001483298019 910814004 /nfs/dbraw/zinc/81/40/04/910814004.db2.gz GZUYGNYFJRWAJE-UONOGXRCSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)CC[NH+](C)C ZINC001483383945 911028590 /nfs/dbraw/zinc/02/85/90/911028590.db2.gz YCIMZWPTQIJHIZ-CQSZACIVSA-N 2 0 277.412 1.575 10 0 CDAERP CC(C)[NH2+]CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001483471025 911162085 /nfs/dbraw/zinc/16/20/85/911162085.db2.gz VZGFAALOSXJFID-UHFFFAOYSA-N 2 0 255.406 1.317 10 0 CDAERP Cc1ccncc1C[NH2+]CCCN(C)C(=O)CC[NH+](C)C ZINC001483489692 911188737 /nfs/dbraw/zinc/18/87/37/911188737.db2.gz IFKIXWIUAOOZMK-UHFFFAOYSA-N 2 0 292.427 1.280 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001484172847 915485382 /nfs/dbraw/zinc/48/53/82/915485382.db2.gz BDTYLDGYAMGDOV-INIZCTEOSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH+](C)C/C=C\Cl ZINC001484769553 916145094 /nfs/dbraw/zinc/14/50/94/916145094.db2.gz XHXUYQPAYNBHAW-VURMDHGXSA-N 2 0 289.851 1.859 10 0 CDAERP CCC[NH2+]C[C@H]1C[C@H](NC(=O)Cn2ccnc2C(C)C)C1 ZINC001485698651 917202130 /nfs/dbraw/zinc/20/21/30/917202130.db2.gz VNILXUUHMDCCKE-HDJSIYSDSA-N 2 0 292.427 1.901 10 0 CDAERP CCCC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001485833775 919855941 /nfs/dbraw/zinc/85/59/41/919855941.db2.gz MKDJNPJRZFYOPP-GDBMZVCRSA-N 2 0 295.471 1.955 10 0 CDAERP CCCC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001485833777 919856183 /nfs/dbraw/zinc/85/61/83/919856183.db2.gz MKDJNPJRZFYOPP-GOEBONIOSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1C[NH+](CCCF)C1 ZINC001409948611 920486196 /nfs/dbraw/zinc/48/61/96/920486196.db2.gz SBVRWDGYRGAVBQ-STQMWFEESA-N 2 0 285.407 1.124 10 0 CDAERP CC(C)[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001486222704 920833612 /nfs/dbraw/zinc/83/36/12/920833612.db2.gz ZQSKKNIZHBSNSP-KBPBESRZSA-N 2 0 269.433 1.610 10 0 CDAERP CC[C@H](C)C[NH+]1CC([C@@H](C)NC(=O)C[N@H+](C)C(C)C)C1 ZINC001409960467 921921213 /nfs/dbraw/zinc/92/12/13/921921213.db2.gz CJYNPPWAMLEFST-UONOGXRCSA-N 2 0 283.460 1.809 10 0 CDAERP C[C@]12C[NH2+]C[C@H]1CN(c1ccncc1Br)C2 ZINC000703615208 922766414 /nfs/dbraw/zinc/76/64/14/922766414.db2.gz TVYLMUUBCIDNEP-JOYOIKCWSA-N 2 0 282.185 1.890 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001490954348 936834834 /nfs/dbraw/zinc/83/48/34/936834834.db2.gz GFBBNAJWMHYBNJ-HDJSIYSDSA-N 2 0 267.417 1.365 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001491055437 936848449 /nfs/dbraw/zinc/84/84/49/936848449.db2.gz NUJQUJGFEZFSOC-SYQHCUMBSA-N 2 0 285.407 1.313 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001491066000 936849511 /nfs/dbraw/zinc/84/95/11/936849511.db2.gz PIPFWRFCIFETMB-GASCZTMLSA-N 2 0 281.444 1.755 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H](C[NH2+]CCC3CC3)C2)C1 ZINC001491185514 936870609 /nfs/dbraw/zinc/87/06/09/936870609.db2.gz RJXHVAWIQGXUPP-HZPDHXFCSA-N 2 0 293.455 1.566 10 0 CDAERP CCOCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001568368403 1169263888 /nfs/dbraw/zinc/26/38/88/1169263888.db2.gz MGLQVMHXRMAUOQ-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP CCOCCC[NH2+][C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001491512680 936926416 /nfs/dbraw/zinc/92/64/16/936926416.db2.gz HBRYWUNATDVAHE-CQSZACIVSA-N 2 0 297.443 1.136 10 0 CDAERP CCCC[NH2+][C@H](C)CNC(=O)CCc1nccn1C ZINC001491535086 936931091 /nfs/dbraw/zinc/93/10/91/936931091.db2.gz VDFAYEVOEOATOM-GFCCVEGCSA-N 2 0 266.389 1.247 10 0 CDAERP COc1c(C)cc(C[NH2+]CCCN2CC[NH2+]CC2)cc1C ZINC000841028138 936972499 /nfs/dbraw/zinc/97/24/99/936972499.db2.gz BFTASVRMRBUCFZ-UHFFFAOYSA-N 2 0 291.439 1.697 10 0 CDAERP CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCC[NH+](C)C)C[C@H]2C1 ZINC001410175134 925348701 /nfs/dbraw/zinc/34/87/01/925348701.db2.gz DKMURRIOIQPEJY-JYJNAYRXSA-N 2 0 295.471 1.955 10 0 CDAERP CCN(CC[NH2+]CC1CCC1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001273383467 926581858 /nfs/dbraw/zinc/58/18/58/926581858.db2.gz ZZXHTTZRVCIMBW-UKRRQHHQSA-N 2 0 281.444 1.565 10 0 CDAERP CCC[NH2+][C@H](CC)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001494999125 926615519 /nfs/dbraw/zinc/61/55/19/926615519.db2.gz GZIDFUPGMBTNKM-ZIAGYGMSSA-N 2 0 269.433 1.755 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH+](CC2CC2)C2CC2)C1 ZINC001490384811 927144897 /nfs/dbraw/zinc/14/48/97/927144897.db2.gz AUHCLUAQCRIXFI-CQSZACIVSA-N 2 0 293.455 1.709 10 0 CDAERP Cn1cc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c(Cl)n1 ZINC000856790706 928627098 /nfs/dbraw/zinc/62/70/98/928627098.db2.gz JZDPYEHTXWVIJJ-NSHDSACASA-N 2 0 270.808 1.895 10 0 CDAERP COc1cccc2cc(C[NH2+]CCOCCC[NH3+])oc21 ZINC000863649783 929585355 /nfs/dbraw/zinc/58/53/55/929585355.db2.gz IHHOVYYZYDJZQN-UHFFFAOYSA-N 2 0 278.352 1.896 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC/C=C\C[NH2+]CCF ZINC001274106191 931171191 /nfs/dbraw/zinc/17/11/91/931171191.db2.gz XELJJYFEUUYSDK-ZRMMWKCHSA-N 2 0 271.380 1.092 10 0 CDAERP CC[NH2+]C/C=C\CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001274154101 931205477 /nfs/dbraw/zinc/20/54/77/931205477.db2.gz OMQWOXFSEDTPCH-PLNGDYQASA-N 2 0 272.352 1.538 10 0 CDAERP Cn1c(Cl)nc(Cl)c1C[NH2+]CCC1(C[NH3+])CC1 ZINC000844902098 931721737 /nfs/dbraw/zinc/72/17/37/931721737.db2.gz NINWOTCLADWNKV-UHFFFAOYSA-N 2 0 277.199 1.946 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC(CC[NH+](C)C)CC2)CC[N@@H+]1C ZINC001411762065 932002008 /nfs/dbraw/zinc/00/20/08/932002008.db2.gz CKDUEVAFLWLIBR-HOCLYGCPSA-N 2 0 295.471 1.907 10 0 CDAERP CCCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001275864884 932101175 /nfs/dbraw/zinc/10/11/75/932101175.db2.gz CJTDEEFDTTWRLU-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC001326369175 932209358 /nfs/dbraw/zinc/20/93/58/932209358.db2.gz FBOWDWOSZOHCHR-MGPQQGTHSA-N 2 0 267.417 1.352 10 0 CDAERP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CCC1CCOCC1 ZINC001448713516 932209668 /nfs/dbraw/zinc/20/96/68/932209668.db2.gz GHVVCDDDZSJBDU-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001276011018 932233259 /nfs/dbraw/zinc/23/32/59/932233259.db2.gz KLXDDWMWAMJSBL-KBPBESRZSA-N 2 0 269.433 1.707 10 0 CDAERP C[NH2+]CCCCC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000719726811 932245250 /nfs/dbraw/zinc/24/52/50/932245250.db2.gz AXIAVYXZRVHYII-OLZOCXBDSA-N 2 0 255.406 1.365 10 0 CDAERP CCN1CC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001147145217 932426627 /nfs/dbraw/zinc/42/66/27/932426627.db2.gz BLOHHXHFHXBRPY-QWHCGFSZSA-N 2 0 267.417 1.317 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC001412436954 932428766 /nfs/dbraw/zinc/42/87/66/932428766.db2.gz XVMWGRNKZLOYPR-IIAWOOMASA-N 2 0 293.455 1.707 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CC[NH+]1CC[C@H](F)C1 ZINC001412666651 932608332 /nfs/dbraw/zinc/60/83/32/932608332.db2.gz XHZFZLDUJIFADK-MBNYWOFBSA-N 2 0 283.391 1.019 10 0 CDAERP C[C@H]1CC2(CC([NH2+]CCCN3CCC[N@H+](C)CC3)C2)CO1 ZINC000924967135 932838064 /nfs/dbraw/zinc/83/80/64/932838064.db2.gz TZLZNXLSHXJDSH-GTPINHCMSA-N 2 0 295.471 1.561 10 0 CDAERP CO[C@@H](CC[NH2+][C@@H]1CC[NH2+]C1(C)C)C(F)(F)F ZINC000925647168 932920867 /nfs/dbraw/zinc/92/08/67/932920867.db2.gz ZQTJEDBXIFGKOU-BDAKNGLRSA-N 2 0 254.296 1.684 10 0 CDAERP C[NH+](C)C1(CN[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CCC1 ZINC000925646157 932921212 /nfs/dbraw/zinc/92/12/12/932921212.db2.gz VTOFZMQJFVKQCD-OLZOCXBDSA-N 2 0 253.434 1.966 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCCN2CCSC[C@@H]12 ZINC000925826953 932942704 /nfs/dbraw/zinc/94/27/04/932942704.db2.gz PHROCBOWJJVCRB-CYDGBPFRSA-N 2 0 257.447 1.282 10 0 CDAERP C[NH+]1CCC2(CCN(C[C@H]([NH3+])CC(F)F)CC2)CC1 ZINC000691898212 933136029 /nfs/dbraw/zinc/13/60/29/933136029.db2.gz HJFACTFZJDFTPQ-GFCCVEGCSA-N 2 0 275.387 1.777 10 0 CDAERP C[N@@H+]1C[C@@H]2C[NH+](CCCc3cccnc3)C[C@]2(C)C1 ZINC000933732979 933852659 /nfs/dbraw/zinc/85/26/59/933852659.db2.gz FEQLBMBDFOMZJC-CVEARBPZSA-N 2 0 259.397 1.898 10 0 CDAERP OCCC1([NH2+]C[C@H](O)C[NH+]2CCCC2)CCCCC1 ZINC000687180012 934248726 /nfs/dbraw/zinc/24/87/26/934248726.db2.gz GMXVZLINCRXBQL-AWEZNQCLSA-N 2 0 270.417 1.118 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH2+]C(C)(C)C ZINC000687247322 934263954 /nfs/dbraw/zinc/26/39/54/934263954.db2.gz DOLOXRPQZGRSTK-TXEJJXNPSA-N 2 0 253.390 1.070 10 0 CDAERP C[C@H](CN1CCOCC1)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC001412945941 935111205 /nfs/dbraw/zinc/11/12/05/935111205.db2.gz ZJVGVVCBEKUYSB-IAGOWNOFSA-N 2 0 295.471 1.372 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000722549380 945084793 /nfs/dbraw/zinc/08/47/93/945084793.db2.gz ITPWUPGKNOSDSI-ZIAGYGMSSA-N 2 0 267.417 1.032 10 0 CDAERP Cn1cncc1CCC[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720859460 935258118 /nfs/dbraw/zinc/25/81/18/935258118.db2.gz NVOOEZNXDAVRDA-JQWIXIFHSA-N 2 0 290.333 1.422 10 0 CDAERP CCCC[NH2+]CC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001568674510 1169425919 /nfs/dbraw/zinc/42/59/19/1169425919.db2.gz OYVOBYNJDGWPLM-ZDUSSCGKSA-N 2 0 269.433 1.613 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)CC[NH+](C)C)[C@@H](C)C1 ZINC001362009320 970768636 /nfs/dbraw/zinc/76/86/36/970768636.db2.gz APPVLONAXAMBHJ-ILXRZTDVSA-N 2 0 283.460 1.763 10 0 CDAERP CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001276609455 940426585 /nfs/dbraw/zinc/42/65/85/940426585.db2.gz XCCHWGDHBULBBE-CHWSQXEVSA-N 2 0 269.433 1.419 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C[NH2+]CC(C)C)C1CC1)[NH+](C)C ZINC001276612783 940434223 /nfs/dbraw/zinc/43/42/23/940434223.db2.gz YMQIGKNEYMLFLF-UONOGXRCSA-N 2 0 269.433 1.467 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C(C)C)CC1(C)C ZINC001276624853 940451083 /nfs/dbraw/zinc/45/10/83/940451083.db2.gz NJYGJDDVYDMIJP-CYBMUJFWSA-N 2 0 269.433 1.562 10 0 CDAERP C[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)C1CC[NH2+]CC1 ZINC000400639280 940853553 /nfs/dbraw/zinc/85/35/53/940853553.db2.gz NQMVADJENDDFFW-CHWSQXEVSA-N 3 0 253.434 1.694 10 0 CDAERP CC[NH2+]CCC[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001277216219 942182164 /nfs/dbraw/zinc/18/21/64/942182164.db2.gz BKLBOFLHLQSBGR-AWEZNQCLSA-N 2 0 281.444 1.757 10 0 CDAERP [NH3+][C@H]1CCCC[C@H]1C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC001332451918 942421825 /nfs/dbraw/zinc/42/18/25/942421825.db2.gz LQDSGMAVSBLRDK-OLZOCXBDSA-N 2 0 265.401 1.106 10 0 CDAERP C[N@H+](CC(=O)N1CCCC[C@@H]1C[NH2+]CCF)C1CCC1 ZINC001280442876 942443333 /nfs/dbraw/zinc/44/33/33/942443333.db2.gz KRIOQURZHRVULR-CQSZACIVSA-N 2 0 285.407 1.411 10 0 CDAERP CCOCCC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001280757996 942483226 /nfs/dbraw/zinc/48/32/26/942483226.db2.gz YXWUXGLVBRIPOK-HNNXBMFYSA-N 2 0 299.459 1.335 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001316635587 943275708 /nfs/dbraw/zinc/27/57/08/943275708.db2.gz FGWUVMCOSPZUNR-JYJNAYRXSA-N 2 0 293.455 1.779 10 0 CDAERP C[N@H+](CC(=O)NC[C@H]1CC[C@@H]([NH2+]CCCF)C1)C1CCC1 ZINC001263905297 944025649 /nfs/dbraw/zinc/02/56/49/944025649.db2.gz TYOWIVMGVFJQDF-UONOGXRCSA-N 2 0 299.434 1.705 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001277924873 944063055 /nfs/dbraw/zinc/06/30/55/944063055.db2.gz QCPHIYGFGLGDAF-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001277933933 944108172 /nfs/dbraw/zinc/10/81/72/944108172.db2.gz ZSKDNUPSFKCFMG-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCCCC[C@H]([NH2+]CCOC)C1 ZINC001264684520 944163094 /nfs/dbraw/zinc/16/30/94/944163094.db2.gz ZVXAFZCDHHKZKF-HNNXBMFYSA-N 2 0 299.459 1.335 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC2CC2)[C@@H]1C ZINC001264726359 944170365 /nfs/dbraw/zinc/17/03/65/944170365.db2.gz RPUIFLQAIBFLOO-OCCSQVGLSA-N 2 0 267.417 1.317 10 0 CDAERP COC[C@H](C)[N@H+](C)CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001265050894 944213980 /nfs/dbraw/zinc/21/39/80/944213980.db2.gz OWWPNSLXSOJLNO-HNNXBMFYSA-N 2 0 299.459 1.191 10 0 CDAERP CC[N@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)C1CC1 ZINC001265184353 944265370 /nfs/dbraw/zinc/26/53/70/944265370.db2.gz ZIMWAYTXSYUNLU-ZIAGYGMSSA-N 2 0 281.444 1.850 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001265483205 944404301 /nfs/dbraw/zinc/40/43/01/944404301.db2.gz NTIMDNULIYTOCX-KKUMJFAQSA-N 2 0 281.444 1.776 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001265543189 944423782 /nfs/dbraw/zinc/42/37/82/944423782.db2.gz FXEUJBVIALILRH-ZNMIVQPWSA-N 2 0 281.444 1.898 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]CC(C)C)[NH+](C)C ZINC001277979841 944425723 /nfs/dbraw/zinc/42/57/23/944425723.db2.gz BWLBAYMDQANRMH-UONOGXRCSA-N 2 0 269.433 1.563 10 0 CDAERP CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001265570061 944433348 /nfs/dbraw/zinc/43/33/48/944433348.db2.gz OMRSHXBKJDOIJL-SOUVJXGZSA-N 2 0 281.444 1.755 10 0 CDAERP CCCCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001265596548 944440843 /nfs/dbraw/zinc/44/08/43/944440843.db2.gz FXOZDMVHPIZATD-CVEARBPZSA-N 2 0 295.471 1.957 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001265612968 944447712 /nfs/dbraw/zinc/44/77/12/944447712.db2.gz FVXLXWPBSQYPKN-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP CCC/C=C/CC[NH2+][C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001265852164 944541421 /nfs/dbraw/zinc/54/14/21/944541421.db2.gz WUOAPBASJSZMJU-NFAHFFEMSA-N 2 0 293.455 1.923 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001479240990 971269470 /nfs/dbraw/zinc/26/94/70/971269470.db2.gz MEYKKCNOYVLJBW-OAHLLOKOSA-N 2 0 295.471 1.907 10 0 CDAERP C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H](C[NH2+]CCCF)C1 ZINC001479570449 971341284 /nfs/dbraw/zinc/34/12/84/971341284.db2.gz WAFRVBHQMXJFSD-QLFBSQMISA-N 2 0 299.434 1.657 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001480065969 971560606 /nfs/dbraw/zinc/56/06/06/971560606.db2.gz VSWHCZVLZLKGHN-ZIAGYGMSSA-N 2 0 285.407 1.315 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001480221347 971634948 /nfs/dbraw/zinc/63/49/48/971634948.db2.gz YKQUQEFWTNVHRR-GASCZTMLSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC001362918326 971728531 /nfs/dbraw/zinc/72/85/31/971728531.db2.gz VRCUTEPVRGTZNB-MCIONIFRSA-N 2 0 299.484 1.270 10 0 CDAERP CCCCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001480487175 971751641 /nfs/dbraw/zinc/75/16/41/971751641.db2.gz SVAGZAKFGQEKQC-KGLIPLIRSA-N 2 0 269.433 1.755 10 0 CDAERP OC1(C[NH+]2CCCCC2)CC[NH+](CCn2cccn2)CC1 ZINC001363847031 953910484 /nfs/dbraw/zinc/91/04/84/953910484.db2.gz FAPCDBWBBHOZSQ-UHFFFAOYSA-N 2 0 292.427 1.196 10 0 CDAERP CN(C)c1cccc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)n1 ZINC001363881336 953967689 /nfs/dbraw/zinc/96/76/89/953967689.db2.gz GHKWZNCGYUAVIN-KGLIPLIRSA-N 2 0 274.412 1.531 10 0 CDAERP CC[N@H+](C)[C@@H]1CCN(C(=O)NCC[NH+]2CCC[C@H]2C)C1 ZINC001364347887 954487426 /nfs/dbraw/zinc/48/74/26/954487426.db2.gz DYBOKKPKOBBNKO-ZIAGYGMSSA-N 2 0 282.432 1.206 10 0 CDAERP CC[N@H+](CCNC(=O)CC[C@H]1CCC[NH+]1C)C1CC1 ZINC001493380186 972038544 /nfs/dbraw/zinc/03/85/44/972038544.db2.gz OFEJCADCSYDHKH-CYBMUJFWSA-N 2 0 267.417 1.461 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)CC[NH+](C)C)C1 ZINC001296126129 954813970 /nfs/dbraw/zinc/81/39/70/954813970.db2.gz FRVDOWJHFAHRFH-ZIAGYGMSSA-N 2 0 269.433 1.563 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NC(C)(C)CCC[NH+](C)C ZINC001363299935 972064789 /nfs/dbraw/zinc/06/47/89/972064789.db2.gz RHHKPVYKIMEPRH-ZDUSSCGKSA-N 2 0 271.449 1.811 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCc1nc2c([nH]1)CCCC2 ZINC001364975544 955446086 /nfs/dbraw/zinc/44/60/86/955446086.db2.gz WLSHPRATPYCMOW-CQSZACIVSA-N 2 0 290.411 1.778 10 0 CDAERP O=C(CCCn1ccnc1)N1CC[C@@H](C[NH2+]CCF)C1 ZINC001491858958 955472589 /nfs/dbraw/zinc/47/25/89/955472589.db2.gz NHHDQTWTDLXXLM-ZDUSSCGKSA-N 2 0 282.363 1.071 10 0 CDAERP CC[C@@H](C(=O)NCC1([NH2+]CC[C@H](C)F)CCC1)[NH+](C)C ZINC001421792562 955547165 /nfs/dbraw/zinc/54/71/65/955547165.db2.gz NHYZEJJJOWUJCX-STQMWFEESA-N 2 0 287.423 1.703 10 0 CDAERP CC(C)C[N@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001491965756 955550659 /nfs/dbraw/zinc/55/06/59/955550659.db2.gz SVNUBHIOTBFAKC-HNNXBMFYSA-N 2 0 283.460 1.905 10 0 CDAERP CCC1([NH2+]CCF)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001421925504 955654233 /nfs/dbraw/zinc/65/42/33/955654233.db2.gz HRRVKNLKLAUQBW-AWEZNQCLSA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001422158224 955799923 /nfs/dbraw/zinc/79/99/23/955799923.db2.gz NGPHYFOKDLRZRE-CABCVRRESA-N 2 0 283.460 1.859 10 0 CDAERP C[C@@H](C(=O)N1CC[C@]2(C1)CCC[NH2+]C2)n1ccnc1 ZINC001329569722 955991430 /nfs/dbraw/zinc/99/14/30/955991430.db2.gz OWTWTXJWAYXWDH-GXTWGEPZSA-N 2 0 262.357 1.046 10 0 CDAERP Cc1conc1C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001569230253 1169727638 /nfs/dbraw/zinc/72/76/38/1169727638.db2.gz YNUWQQSLXZLLIT-CQSZACIVSA-N 2 0 294.399 1.015 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001317344880 956195279 /nfs/dbraw/zinc/19/52/79/956195279.db2.gz VQCVHQFUJOVINY-UONOGXRCSA-N 2 0 285.407 1.268 10 0 CDAERP C[C@@H](C[NH2+]C[C@@H]1CCCCO1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001422696271 956263880 /nfs/dbraw/zinc/26/38/80/956263880.db2.gz FHSKNMAOYSBMAO-KKUMJFAQSA-N 2 0 297.443 1.134 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccccc1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001422705621 956273068 /nfs/dbraw/zinc/27/30/68/956273068.db2.gz XTGKBHAIMCRBTG-HOCLYGCPSA-N 2 0 289.423 1.765 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccns1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001422735351 956296856 /nfs/dbraw/zinc/29/68/56/956296856.db2.gz QAFZKMBMTFVMEN-RYUDHWBXSA-N 2 0 296.440 1.079 10 0 CDAERP CCCC[N@@H+]1CCO[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001422767868 956324484 /nfs/dbraw/zinc/32/44/84/956324484.db2.gz KDEMXIVPLNAFSM-MRXNPFEDSA-N 2 0 297.443 1.042 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001494080430 972172642 /nfs/dbraw/zinc/17/26/42/972172642.db2.gz VNCXRIZWQXGZLT-ZIAGYGMSSA-N 2 0 267.417 1.176 10 0 CDAERP CC(C)[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CC1 ZINC001422973351 956486126 /nfs/dbraw/zinc/48/61/26/956486126.db2.gz XOGYDZYGPIQHCE-HUUCEWRRSA-N 2 0 281.444 1.469 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]C/C=C/Cl)C2)CC[N@@H+]1C ZINC001366150961 956603128 /nfs/dbraw/zinc/60/31/28/956603128.db2.gz PODOPEVXXJKEBL-VWSAPJIZSA-N 2 0 299.846 1.706 10 0 CDAERP C[NH+](C)CCC(=O)NC1CCC([NH2+]C/C=C\Cl)CC1 ZINC001366252734 956672314 /nfs/dbraw/zinc/67/23/14/956672314.db2.gz XKVQMTNVWDZGSH-OQFOIZHKSA-N 2 0 287.835 1.708 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1cccnc1 ZINC001366288515 956713965 /nfs/dbraw/zinc/71/39/65/956713965.db2.gz CDVSGLSBCXRONM-DZGCQCFKSA-N 2 0 290.411 1.160 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1[NH+](CCCF)CC2 ZINC001423366937 956740544 /nfs/dbraw/zinc/74/05/44/956740544.db2.gz KZAQLSNJACVFNU-ZBFHGGJFSA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001366402531 956797298 /nfs/dbraw/zinc/79/72/98/956797298.db2.gz ARXMBARUSLKMBP-GJZGRUSLSA-N 2 0 281.444 1.422 10 0 CDAERP C[C@@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]CCC(F)(F)F ZINC001366506730 956888105 /nfs/dbraw/zinc/88/81/05/956888105.db2.gz JHNNWPNSPNRCQF-NSHDSACASA-N 2 0 295.349 1.519 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C(C)(C)C ZINC001423617349 956904713 /nfs/dbraw/zinc/90/47/13/956904713.db2.gz GDBRNUMDLDDTHQ-KGLIPLIRSA-N 2 0 299.459 1.095 10 0 CDAERP CC(C)CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001423954979 957052463 /nfs/dbraw/zinc/05/24/63/957052463.db2.gz UMHQUWJHOQYNGG-CABCVRRESA-N 2 0 283.460 1.811 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001366702294 957127187 /nfs/dbraw/zinc/12/71/87/957127187.db2.gz NQLYALLTMMDSOO-OAHLLOKOSA-N 2 0 279.428 1.320 10 0 CDAERP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CCC1CC1 ZINC001331544267 957129702 /nfs/dbraw/zinc/12/97/02/957129702.db2.gz PRURAKNHOCKXFY-LBPRGKRZSA-N 2 0 255.406 1.175 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001317091414 957265298 /nfs/dbraw/zinc/26/52/98/957265298.db2.gz SYURKIJGDSUINW-JOCQHMNTSA-N 2 0 255.406 1.365 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](CC[C@@H](C)F)C1 ZINC001366913578 957268290 /nfs/dbraw/zinc/26/82/90/957268290.db2.gz XDMUEJFCFVAUOK-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP C[N@H+](CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CC2)C1)C1CCC1 ZINC001317114308 957280035 /nfs/dbraw/zinc/28/00/35/957280035.db2.gz XBXLQUHQXIIGKG-BETUJISGSA-N 2 0 265.401 1.118 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001317193763 957336988 /nfs/dbraw/zinc/33/69/88/957336988.db2.gz UYDHMRYTNOTWRW-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cnc(C)o1 ZINC001424838968 957377643 /nfs/dbraw/zinc/37/76/43/957377643.db2.gz PRWLEMRERZLVHK-RYUDHWBXSA-N 2 0 296.415 1.308 10 0 CDAERP COCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001331997468 957390801 /nfs/dbraw/zinc/39/08/01/957390801.db2.gz PCZWXSLCQWGKCW-ZIAGYGMSSA-N 2 0 297.443 1.086 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCF)C1 ZINC001317342573 957430842 /nfs/dbraw/zinc/43/08/42/957430842.db2.gz YKAFNOOYOKCPCZ-GJZGRUSLSA-N 2 0 299.434 1.657 10 0 CDAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[N@H+](C)CC1CC(C)C1 ZINC001425058516 957459390 /nfs/dbraw/zinc/45/93/90/957459390.db2.gz PSWNEFVIDGLIDU-SHARSMKWSA-N 2 0 293.455 1.565 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001317411660 957459952 /nfs/dbraw/zinc/45/99/52/957459952.db2.gz GYZDSNQEENARNM-AWEZNQCLSA-N 2 0 279.428 1.533 10 0 CDAERP O=C(C[NH+]1CCCC1)NCC1C[NH+](Cc2ccsc2)C1 ZINC001494626556 972272064 /nfs/dbraw/zinc/27/20/64/972272064.db2.gz XZVWRVDYAVAKPJ-UHFFFAOYSA-N 2 0 293.436 1.392 10 0 CDAERP CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001425511050 957547606 /nfs/dbraw/zinc/54/76/06/957547606.db2.gz RONMDMYNKLCJSS-CVEARBPZSA-N 2 0 295.471 1.953 10 0 CDAERP CN(CC[NH2+]CCC1CC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001317652551 957618992 /nfs/dbraw/zinc/61/89/92/957618992.db2.gz ALNMWYLJPNTMOE-AWEZNQCLSA-N 2 0 267.417 1.176 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)[NH2+]CCF ZINC001367129103 957694535 /nfs/dbraw/zinc/69/45/35/957694535.db2.gz NMGWOHATQFJECM-KBPBESRZSA-N 2 0 287.423 1.703 10 0 CDAERP CO[C@@H](C)C[NH+]1CCC(CCNC(=O)CC[NH+](C)C)CC1 ZINC001367211175 957846707 /nfs/dbraw/zinc/84/67/07/957846707.db2.gz MVXZLINTZXAZKB-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001367225484 957854846 /nfs/dbraw/zinc/85/48/46/957854846.db2.gz FFLRJNDJKPGHQD-UONOGXRCSA-N 2 0 285.407 1.411 10 0 CDAERP CCC[NH2+]C1CC(N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001333142007 958103385 /nfs/dbraw/zinc/10/33/85/958103385.db2.gz UOBZHDJZANAHCN-UHFFFAOYSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC1CC1 ZINC001367741911 958290291 /nfs/dbraw/zinc/29/02/91/958290291.db2.gz JDLYYMVEJWGKEC-DZGCQCFKSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@@H](C[N@H+](C)CC1CC(C)(C)C1)NC(=O)C[NH+]1CCCC1 ZINC001367856098 958436272 /nfs/dbraw/zinc/43/62/72/958436272.db2.gz LYKMOELPCWIMKD-AWEZNQCLSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1CC ZINC001367928893 958480166 /nfs/dbraw/zinc/48/01/66/958480166.db2.gz ORKHAXLLRICKGT-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@@H](C[NH2+]CC1CCCC1)C1CC1 ZINC001367926406 958481162 /nfs/dbraw/zinc/48/11/62/958481162.db2.gz UDRUKOYWRSKZLF-INIZCTEOSA-N 2 0 293.455 1.757 10 0 CDAERP C[C@@H](C[NH2+]CCC1CC1)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001319474366 958582913 /nfs/dbraw/zinc/58/29/13/958582913.db2.gz ZCESTUHVMCSFCL-ZDUSSCGKSA-N 2 0 281.444 1.707 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH2+]C/C=C/Cl)CC2)C1 ZINC001368028431 958591090 /nfs/dbraw/zinc/59/10/90/958591090.db2.gz NDRRSOUTBJLGFU-QSLRECBCSA-N 2 0 285.819 1.319 10 0 CDAERP CC(C)(C)CC[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001368036237 958598454 /nfs/dbraw/zinc/59/84/54/958598454.db2.gz UROYXDFVQZECQD-UHFFFAOYSA-N 2 0 281.444 1.757 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001368056362 958608800 /nfs/dbraw/zinc/60/88/00/958608800.db2.gz JNGXWRUXJXXAHT-IYBDPMFKSA-N 2 0 293.455 1.804 10 0 CDAERP CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]CCCF)[NH+](C)C ZINC001319560026 958632019 /nfs/dbraw/zinc/63/20/19/958632019.db2.gz JMTJMZOJXDTRGJ-VXGBXAGGSA-N 2 0 261.385 1.123 10 0 CDAERP CC(C)CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001319574924 958638279 /nfs/dbraw/zinc/63/82/79/958638279.db2.gz QGOXIIDYHWTLHW-LSDHHAIUSA-N 2 0 283.460 1.811 10 0 CDAERP CO[C@H](C)C[NH+]1CCC(C)(CNC(=O)CC[NH+](C)C)CC1 ZINC001368214702 958706815 /nfs/dbraw/zinc/70/68/15/958706815.db2.gz XMADCXAJSQVBIH-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP COCC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC001319936118 958796998 /nfs/dbraw/zinc/79/69/98/958796998.db2.gz MYTKXEWZPLOVJS-KKUMJFAQSA-N 2 0 299.459 1.094 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CC2)CC1 ZINC001368411832 958820003 /nfs/dbraw/zinc/82/00/03/958820003.db2.gz YVAXSTXZVSZSMJ-SHTZXODSSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001368581738 958982513 /nfs/dbraw/zinc/98/25/13/958982513.db2.gz SRWBBBXIVZOCKY-DZKIICNBSA-N 2 0 295.471 1.859 10 0 CDAERP CC[C@H](C(=O)N1CCC(CC)([NH2+]C[C@H](C)O)CC1)[NH+](C)C ZINC001368597640 958989475 /nfs/dbraw/zinc/98/94/75/958989475.db2.gz HQTOXPJILFYRJR-UONOGXRCSA-N 2 0 299.459 1.068 10 0 CDAERP CC1(C)[C@H](NCCC[NH+]2CCCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC001334389032 959079589 /nfs/dbraw/zinc/07/95/89/959079589.db2.gz GLEIPFQTKSHATC-QLFBSQMISA-N 2 0 265.445 1.839 10 0 CDAERP C[NH+](C)C1(C(=O)NC/C=C/C[NH2+]CC2CCCC2)CCC1 ZINC001321089257 959586304 /nfs/dbraw/zinc/58/63/04/959586304.db2.gz AGNJYYNWDNBGET-AATRIKPKSA-N 2 0 293.455 1.923 10 0 CDAERP O=C(NC/C=C/C[NH2+]C/C=C/Cl)C12CC[NH+](CC1)C2 ZINC001321336958 959727291 /nfs/dbraw/zinc/72/72/91/959727291.db2.gz NZUDMNPQZQGIBE-YRALUDOXSA-N 2 0 283.803 1.097 10 0 CDAERP C[C@H](C[NH2+]CCc1cccs1)NC(=O)CC[NH+](C)C ZINC001321640961 959882134 /nfs/dbraw/zinc/88/21/34/959882134.db2.gz KLNMGZGXWUTXFA-GFCCVEGCSA-N 2 0 283.441 1.337 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1CC[NH+](CC2CCC2)C1 ZINC001369984168 959945644 /nfs/dbraw/zinc/94/56/44/959945644.db2.gz DWKRFVQYSSFDEC-JKSUJKDBSA-N 2 0 293.455 1.851 10 0 CDAERP CC(C)C[NH2+][C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001370257301 960032413 /nfs/dbraw/zinc/03/24/13/960032413.db2.gz QIIWNXBCSZHOEA-ZFWWWQNUSA-N 2 0 281.444 1.469 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001370389597 960081625 /nfs/dbraw/zinc/08/16/25/960081625.db2.gz BKJIDJYKZOITTG-FRRDWIJNSA-N 2 0 271.380 1.019 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001323356361 960677757 /nfs/dbraw/zinc/67/77/57/960677757.db2.gz JCNDRPQOMTXCSW-LFAOLKIESA-N 2 0 281.444 1.873 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccsc1 ZINC001418633046 960823373 /nfs/dbraw/zinc/82/33/73/960823373.db2.gz VFVCFVZTFVBZGC-AWEZNQCLSA-N 2 0 295.452 1.780 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001418652167 960849210 /nfs/dbraw/zinc/84/92/10/960849210.db2.gz HKVSQHMQVAPTHR-FQUUOJAGSA-N 2 0 287.423 1.559 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)CC1 ZINC001434022137 960897736 /nfs/dbraw/zinc/89/77/36/960897736.db2.gz KMIUEWUWHDTDSN-CVEARBPZSA-N 2 0 293.455 1.517 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CC[NH+](CC3CCC3)C2)C1 ZINC001418689764 960910671 /nfs/dbraw/zinc/91/06/71/960910671.db2.gz ZDFSZLLCDASMQD-HOTGVXAUSA-N 2 0 293.455 1.566 10 0 CDAERP CO[C@@H](C)C[NH2+][C@@H]1CCCCCN(C(=O)CC[NH+](C)C)C1 ZINC001418784837 961019506 /nfs/dbraw/zinc/01/95/06/961019506.db2.gz BMPPGLYQFNHOJG-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C1CC1 ZINC001418801656 961042259 /nfs/dbraw/zinc/04/22/59/961042259.db2.gz PLCVTFWELCXMMU-HIFRSBDPSA-N 2 0 281.444 1.707 10 0 CDAERP CCCCC[NH+]1CC(N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001323969494 961079022 /nfs/dbraw/zinc/07/90/22/961079022.db2.gz CHYRMMZSFGPILT-UHFFFAOYSA-N 2 0 281.444 1.661 10 0 CDAERP CCCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC001418866161 961109606 /nfs/dbraw/zinc/10/96/06/961109606.db2.gz JQPNYKBRNGLAQD-GJZGRUSLSA-N 2 0 281.444 1.802 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001324248676 961261194 /nfs/dbraw/zinc/26/11/94/961261194.db2.gz AELZUUYBCHBIEF-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H]([NH2+]CCF)[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001419081953 961348988 /nfs/dbraw/zinc/34/89/88/961348988.db2.gz PVARNKHZZRAVIP-UONOGXRCSA-N 2 0 297.418 1.411 10 0 CDAERP C[C@H]([NH2+]CCF)[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001419081945 961350721 /nfs/dbraw/zinc/35/07/21/961350721.db2.gz PVARNKHZZRAVIP-KBPBESRZSA-N 2 0 297.418 1.411 10 0 CDAERP CC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](CCOC(C)C)C1)[NH+](C)C ZINC001419141974 961422111 /nfs/dbraw/zinc/42/21/11/961422111.db2.gz QQMKEKJJESEWBJ-HUUCEWRRSA-N 2 0 299.459 1.284 10 0 CDAERP C[N@H+](CC1CC1)C[C@@H]1CCN(CCNC(=O)C2CC2)C1 ZINC001434456961 961432064 /nfs/dbraw/zinc/43/20/64/961432064.db2.gz CNEIWMUDLBAITB-AWEZNQCLSA-N 2 0 279.428 1.176 10 0 CDAERP C[C@@H](CN1CCOCC1)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC001434485273 961507850 /nfs/dbraw/zinc/50/78/50/961507850.db2.gz LUDDVRMNWRFDQI-HZPDHXFCSA-N 2 0 283.460 1.371 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001419463035 961737710 /nfs/dbraw/zinc/73/77/10/961737710.db2.gz RUGOFGUXAFDXKS-USLJNSJASA-N 2 0 271.792 1.070 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001419467868 961740042 /nfs/dbraw/zinc/74/00/42/961740042.db2.gz JKZBGUPPFSCJDR-ZIAGYGMSSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@H](C[NH2+]Cc1ccns1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001419644926 961914627 /nfs/dbraw/zinc/91/46/27/961914627.db2.gz FTTMFZMCNKITBQ-YPMHNXCESA-N 2 0 296.440 1.174 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N(C)[C@@H](C)C[NH2+]C(C)C ZINC001419683134 961961603 /nfs/dbraw/zinc/96/16/03/961961603.db2.gz PQSJERQYWYFNPG-QWHCGFSZSA-N 2 0 275.412 1.511 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001436342802 962199071 /nfs/dbraw/zinc/19/90/71/962199071.db2.gz GRLDRPVJYGBCKF-MCIONIFRSA-N 2 0 299.434 1.703 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001420049406 962416473 /nfs/dbraw/zinc/41/64/73/962416473.db2.gz NTZQNEDWDMAACK-AWEZNQCLSA-N 2 0 281.444 1.519 10 0 CDAERP COC[C@H](C)[N@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001420052082 962421464 /nfs/dbraw/zinc/42/14/64/962421464.db2.gz PDYVHIZOBYKRRL-GJZGRUSLSA-N 2 0 299.459 1.284 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001436949253 962522608 /nfs/dbraw/zinc/52/26/08/962522608.db2.gz JQWDRUBCCKIYCX-XQLPTFJDSA-N 2 0 297.418 1.313 10 0 CDAERP Cc1cc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C)sn1 ZINC001437132377 962668025 /nfs/dbraw/zinc/66/80/25/962668025.db2.gz YFQGOCXUXYNEBS-AAEUAGOBSA-N 2 0 296.440 1.140 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H]([N@H+](C)CC2CCC2)C1 ZINC001437344193 962815615 /nfs/dbraw/zinc/81/56/15/962815615.db2.gz DCHCIKYPNGNZNE-OAHLLOKOSA-N 2 0 281.444 1.661 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001437497187 962957149 /nfs/dbraw/zinc/95/71/49/962957149.db2.gz DKXZIHKMEKNAGE-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H](F)CC[N@H+](CCNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001420670450 963173371 /nfs/dbraw/zinc/17/33/71/963173371.db2.gz ZWIHQYLZDSFIKM-ZDUSSCGKSA-N 2 0 299.434 1.799 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CC(C)C ZINC001420688054 963179516 /nfs/dbraw/zinc/17/95/16/963179516.db2.gz XUZPVWQHVUMWDN-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CC[N@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001420688151 963181740 /nfs/dbraw/zinc/18/17/40/963181740.db2.gz YLYFKAXJWSJBLH-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC([C@@H](C)[NH2+]CCF)CC1 ZINC001437857448 963211947 /nfs/dbraw/zinc/21/19/47/963211947.db2.gz QDLZTGSXKOCRSF-CYBMUJFWSA-N 2 0 287.423 1.513 10 0 CDAERP CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001437939227 963249325 /nfs/dbraw/zinc/24/93/25/963249325.db2.gz TZPOMRLLWOHXCD-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP COC[C@@H](C)[N@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001437993527 963277341 /nfs/dbraw/zinc/27/73/41/963277341.db2.gz SLSUDDHKWKOPSH-HUUCEWRRSA-N 2 0 299.459 1.142 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]1CC[N@@H+]1CCCC(C)C)[NH+](C)C ZINC001420842027 963293586 /nfs/dbraw/zinc/29/35/86/963293586.db2.gz OXJWMGZVABAGPV-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001421283481 963533431 /nfs/dbraw/zinc/53/34/31/963533431.db2.gz QKARGEMZRNMTNW-RDJZCZTQSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[NH2+]C1(CNC(=O)C[N@H+](C)C2CCC2)CCOCC1 ZINC001421302232 963544709 /nfs/dbraw/zinc/54/47/09/963544709.db2.gz FLQJNSPLXODZIO-UHFFFAOYSA-N 2 0 297.443 1.136 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001438905525 963596443 /nfs/dbraw/zinc/59/64/43/963596443.db2.gz YXNWIKAJZBJVJL-ZDUSSCGKSA-N 2 0 287.423 1.467 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccsc1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001439283484 963698353 /nfs/dbraw/zinc/69/83/53/963698353.db2.gz SHFWRDLSFYFKFR-WCQYABFASA-N 2 0 281.425 1.294 10 0 CDAERP Cc1cccc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001439283960 963698418 /nfs/dbraw/zinc/69/84/18/963698418.db2.gz WQPCWBCWUJZYHQ-HOCLYGCPSA-N 2 0 289.423 1.541 10 0 CDAERP CC[C@@H](C)C[N@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001439368243 963741427 /nfs/dbraw/zinc/74/14/27/963741427.db2.gz WYCUJFOARXWYOY-ZIAGYGMSSA-N 2 0 283.460 1.811 10 0 CDAERP COCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001439378514 963745849 /nfs/dbraw/zinc/74/58/49/963745849.db2.gz KEDQYMRPUVLKFE-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)OCC[N@H+](C)C[C@@H](C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001439403068 963751358 /nfs/dbraw/zinc/75/13/58/963751358.db2.gz RZVVRFIGCYKBKC-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]([NH2+]CCC2CC2)C1 ZINC001441381288 964489987 /nfs/dbraw/zinc/48/99/87/964489987.db2.gz BREWXRFYKZDXQI-JYJNAYRXSA-N 2 0 293.455 1.898 10 0 CDAERP C[N@H+](C/C=C\Cl)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001441395582 964494632 /nfs/dbraw/zinc/49/46/32/964494632.db2.gz VYYIXVMYUUCHNY-DAXSKMNVSA-N 2 0 299.846 1.758 10 0 CDAERP C[C@H](CN(C)C(=O)C12CCC[NH+](CCC1)C2)[NH2+]CC1CC1 ZINC001441543785 964583647 /nfs/dbraw/zinc/58/36/47/964583647.db2.gz WTXKQXILTLCCLY-CQSZACIVSA-N 2 0 293.455 1.709 10 0 CDAERP Cc1csc(C[NH2+][C@H](C)CN(C)C(=O)CC[NH+](C)C)n1 ZINC001441586158 964601811 /nfs/dbraw/zinc/60/18/11/964601811.db2.gz FONPVOLELFNPLR-LLVKDONJSA-N 2 0 298.456 1.340 10 0 CDAERP CC(C)[NH2+]C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)(C)C ZINC001442191057 964904303 /nfs/dbraw/zinc/90/43/03/964904303.db2.gz XDMYBZPXDLBOQT-ZIAGYGMSSA-N 2 0 283.460 1.857 10 0 CDAERP C[C@H](CCNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]CCF ZINC001442338801 964993476 /nfs/dbraw/zinc/99/34/76/964993476.db2.gz BMHRSWSOPJUGQE-CHWSQXEVSA-N 2 0 273.396 1.315 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001442521639 965102977 /nfs/dbraw/zinc/10/29/77/965102977.db2.gz REIMPWHONYUNRP-OLZOCXBDSA-N 2 0 273.396 1.124 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001442864795 965255144 /nfs/dbraw/zinc/25/51/44/965255144.db2.gz NQRUOUVZFDGBIE-LSDHHAIUSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+](CCC3CC3)C2)C1 ZINC001442890703 965262609 /nfs/dbraw/zinc/26/26/09/965262609.db2.gz MACIUDSXSPZMBX-HOCLYGCPSA-N 2 0 293.455 1.566 10 0 CDAERP CC[C@@H](C)C[NH+]1CC(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001443651367 965549274 /nfs/dbraw/zinc/54/92/74/965549274.db2.gz GFWAHQNZRUDQPT-OAHLLOKOSA-N 2 0 295.471 1.957 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001443768052 965597683 /nfs/dbraw/zinc/59/76/83/965597683.db2.gz IXHKGNRMISAKMS-RRFJBIMHSA-N 2 0 283.460 1.809 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC2CCC2)CC[N@@H+]1C ZINC001444596037 965894472 /nfs/dbraw/zinc/89/44/72/965894472.db2.gz NVZSELZRNIABQJ-CWRNSKLLSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@H](C[N@H+](C)CCC1CC1)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001445843980 966361249 /nfs/dbraw/zinc/36/12/49/966361249.db2.gz AJBYREXNPSVNPB-UKRRQHHQSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CC1CCCC1 ZINC001447926870 966931002 /nfs/dbraw/zinc/93/10/02/966931002.db2.gz BKTGRQSDOMMUMR-UONOGXRCSA-N 2 0 283.460 2.000 10 0 CDAERP CC(C)OCC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001448381628 967087944 /nfs/dbraw/zinc/08/79/44/967087944.db2.gz BVYCGULXPGYCDS-AWEZNQCLSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001539828472 967110161 /nfs/dbraw/zinc/11/01/61/967110161.db2.gz LJINVSJSLADIGU-RRFJBIMHSA-N 2 0 299.459 1.190 10 0 CDAERP CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1 ZINC001448460063 967117295 /nfs/dbraw/zinc/11/72/95/967117295.db2.gz JSPDXYAOMLJIIE-RRFJBIMHSA-N 2 0 293.455 1.707 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]C(C)C)[C@H]2C1 ZINC001449036816 967344064 /nfs/dbraw/zinc/34/40/64/967344064.db2.gz IPTXLEBVHSXZIZ-HRCADAONSA-N 2 0 295.471 1.953 10 0 CDAERP Cn1cc(CC[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)cn1 ZINC001354230446 968556216 /nfs/dbraw/zinc/55/62/16/968556216.db2.gz YAMPDDSONGKVGH-STQMWFEESA-N 2 0 250.390 1.458 10 0 CDAERP CC1CCN(C(=[NH2+])NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000849050214 969438414 /nfs/dbraw/zinc/43/84/14/969438414.db2.gz ZOYVAGUVKNYJJL-BETUJISGSA-N 2 0 252.406 1.583 10 0 CDAERP CC[N@@H+]1CC[C@@H]1C(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC001465664285 969888045 /nfs/dbraw/zinc/88/80/45/969888045.db2.gz NWSWJSYEJHDANI-HUUCEWRRSA-N 2 0 279.428 1.271 10 0 CDAERP COC(=O)C1(C[N@@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)CC1 ZINC001414056516 969899231 /nfs/dbraw/zinc/89/92/31/969899231.db2.gz HENQLLJBQWBRPR-CALCHBBNSA-N 2 0 292.423 1.747 10 0 CDAERP C[N@@H+]1C[C@@H](CNC2=[NH+]CCCCN2)[C@H](c2ccccc2)C1 ZINC000849218257 969917398 /nfs/dbraw/zinc/91/73/98/969917398.db2.gz RPUDDKYAWSHWAB-CVEARBPZSA-N 2 0 286.423 1.661 10 0 CDAERP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001466146612 969927849 /nfs/dbraw/zinc/92/78/49/969927849.db2.gz QONULPIEPOCPEH-UKRRQHHQSA-N 2 0 299.434 1.609 10 0 CDAERP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001467915237 970111327 /nfs/dbraw/zinc/11/13/27/970111327.db2.gz CEXMVFKBSUHMOH-KFWWJZLASA-N 2 0 297.418 1.506 10 0 CDAERP C[NH+](C)C1(CNC(=O)CC[N@@H+]2CC[C@H](F)C2)CCCCC1 ZINC001361589242 970313969 /nfs/dbraw/zinc/31/39/69/970313969.db2.gz PKISNIBPFRUXRT-AWEZNQCLSA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)CC1 ZINC001361662328 970392745 /nfs/dbraw/zinc/39/27/45/970392745.db2.gz FXTPGXNMXXPQNK-WBVHZDCISA-N 2 0 293.455 1.517 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21)[NH+](C)C ZINC001522676900 970534386 /nfs/dbraw/zinc/53/43/86/970534386.db2.gz HVZYAILNSILCPZ-FQUUOJAGSA-N 2 0 267.417 1.029 10 0 CDAERP CCCCCC[N@H+](C)CC(=O)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001472079995 970561537 /nfs/dbraw/zinc/56/15/37/970561537.db2.gz HCPJEMRGGYGOPO-CQSZACIVSA-N 2 0 297.443 1.088 10 0 CDAERP CC[N@@H+]1CC[C@@H](CNC(=O)C2CC[NH+](CC(C)C)CC2)C1 ZINC001361836372 970586216 /nfs/dbraw/zinc/58/62/16/970586216.db2.gz XBJKGXPMRNOOJS-HNNXBMFYSA-N 2 0 295.471 1.812 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H](C)CC[NH+](C)C ZINC001361964719 970722301 /nfs/dbraw/zinc/72/23/01/970722301.db2.gz ACPWJVGYZNWIOO-ILXRZTDVSA-N 2 0 283.460 1.811 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(C(=O)CC[N@@H+]2CC[C@@H](F)C2)C1 ZINC001361989596 970747018 /nfs/dbraw/zinc/74/70/18/970747018.db2.gz POFODWPOQOAHLQ-KGLIPLIRSA-N 2 0 285.407 1.363 10 0 CDAERP CC[C@@H](C[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1)OC ZINC001371699255 972597477 /nfs/dbraw/zinc/59/74/77/972597477.db2.gz YDOLXNOGGPDNIX-GJZGRUSLSA-N 2 0 299.459 1.286 10 0 CDAERP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C[NH2+]CC1CCCC1 ZINC001495782848 972629832 /nfs/dbraw/zinc/62/98/32/972629832.db2.gz BJTBHBCVBSALGO-ZBFHGGJFSA-N 2 0 295.471 1.860 10 0 CDAERP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C[NH2+]CC1CCC1 ZINC001495787649 972631679 /nfs/dbraw/zinc/63/16/79/972631679.db2.gz YZPIXNXBUMMFMS-HIFRSBDPSA-N 2 0 281.444 1.470 10 0 CDAERP C[C@@H](CCNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CCF ZINC001371774433 972633968 /nfs/dbraw/zinc/63/39/68/972633968.db2.gz SEOHWPRDEHQDOX-ZDUSSCGKSA-N 2 0 285.407 1.316 10 0 CDAERP CC(C)CCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001495808329 972643761 /nfs/dbraw/zinc/64/37/61/972643761.db2.gz JNSBRVUUNDSPEW-HUUCEWRRSA-N 2 0 283.460 1.716 10 0 CDAERP C[NH+](C)CC1(C(=O)NCC2([NH2+]CCCF)CCCC2)CC1 ZINC001495939470 972710303 /nfs/dbraw/zinc/71/03/03/972710303.db2.gz SZKAXQJXPJFQOO-UHFFFAOYSA-N 2 0 299.434 1.706 10 0 CDAERP C[C@@H](C[NH2+]CCOC1CCC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001496026830 972761650 /nfs/dbraw/zinc/76/16/50/972761650.db2.gz GGVQMHPTYUCXDH-ZFWWWQNUSA-N 2 0 297.443 1.086 10 0 CDAERP CC(C)=CC[NH2+][C@H](CNC(=O)CC[NH+](C)C)C(C)C ZINC001496599294 972984784 /nfs/dbraw/zinc/98/47/84/972984784.db2.gz XCJAOWTZOFPJGR-CQSZACIVSA-N 2 0 269.433 1.635 10 0 CDAERP CC(C)C[NH+]1CCC(NC(=O)[C@@H](C)CC[NH+](C)C)CC1 ZINC001417634268 973220074 /nfs/dbraw/zinc/22/00/74/973220074.db2.gz WUPQBBFPYGBSFM-AWEZNQCLSA-N 2 0 283.460 1.811 10 0 CDAERP CCC[NH2+]CCN(CC)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001497466114 973360046 /nfs/dbraw/zinc/36/00/46/973360046.db2.gz QEDRPAJKVSVROU-HUUCEWRRSA-N 2 0 281.444 1.851 10 0 CDAERP CCN(CC[NH2+]CCC(C)C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001497495760 973366991 /nfs/dbraw/zinc/36/69/91/973366991.db2.gz MXROEUSYPSPSPJ-AWEZNQCLSA-N 2 0 269.433 1.422 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001417792047 973386936 /nfs/dbraw/zinc/38/69/36/973386936.db2.gz OYJMMUJCSXWDFL-AJNGGQMLSA-N 2 0 283.460 1.857 10 0 CDAERP CC[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001497621536 973438836 /nfs/dbraw/zinc/43/88/36/973438836.db2.gz PWQFACYQANIUNP-VBROQKIQSA-N 2 0 267.417 1.389 10 0 CDAERP C[C@@H]1C[C@@H](C[NH2+]C/C=C/CNC(=O)CC[NH+](C)C)CCO1 ZINC001497673135 973459842 /nfs/dbraw/zinc/45/98/42/973459842.db2.gz FATOBLXDOFLGMV-YJQVQVLHSA-N 2 0 297.443 1.015 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC/C=C/C[NH2+]CCC2CC2)C1 ZINC001497732700 973482721 /nfs/dbraw/zinc/48/27/21/973482721.db2.gz SRSVLPCWOKJPNN-XYBNCVKDSA-N 2 0 279.428 1.390 10 0 CDAERP CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]Cc1nccs1 ZINC001373834820 973663510 /nfs/dbraw/zinc/66/35/10/973663510.db2.gz JOGSNOYNYNRQDR-LBPRGKRZSA-N 2 0 298.456 1.468 10 0 CDAERP CC[C@H](C(=O)N[C@](C)(C[NH2+]CC1CC1)C1CC1)[NH+](C)C ZINC001373883286 973677792 /nfs/dbraw/zinc/67/77/92/973677792.db2.gz QEJAUKJDLIYASD-GDBMZVCRSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]C/C=C\Cl ZINC001418262392 973704489 /nfs/dbraw/zinc/70/44/89/973704489.db2.gz PIDZJBPQAZQPSJ-ZHRWSRJISA-N 2 0 287.835 1.708 10 0 CDAERP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccn1 ZINC001418305381 973740270 /nfs/dbraw/zinc/74/02/70/973740270.db2.gz ZSHOISNGRQAUET-ZIAGYGMSSA-N 2 0 290.411 1.018 10 0 CDAERP C[C@@H](C[N@H+](C)C[C@H]1CCCCO1)NC(=O)C[NH+]1CCCC1 ZINC001498454278 973924768 /nfs/dbraw/zinc/92/47/68/973924768.db2.gz BOLXPCJDSXSYEH-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CC[N@H+](CCNC(=O)CC[NH+](C)C)Cc1ccsc1 ZINC001418564300 973971751 /nfs/dbraw/zinc/97/17/51/973971751.db2.gz DKAKOFQDPDHZSY-UHFFFAOYSA-N 2 0 283.441 1.638 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]C(C)C)C1CC1 ZINC001498785309 974061335 /nfs/dbraw/zinc/06/13/35/974061335.db2.gz XKCKXBIJZIFBKT-JKSUJKDBSA-N 2 0 295.471 2.000 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1cccnc1C)[NH+](C)C ZINC001374962563 974191539 /nfs/dbraw/zinc/19/15/39/974191539.db2.gz UMBSPHSGYFLWRZ-SWLSCSKDSA-N 2 0 292.427 1.325 10 0 CDAERP C[NH+]1CCC(C(=O)N[C@H](C[NH2+]CCF)C2CCCC2)CC1 ZINC001500106629 974374995 /nfs/dbraw/zinc/37/49/95/974374995.db2.gz INCCMCJBMDAXJP-OAHLLOKOSA-N 2 0 299.434 1.562 10 0 CDAERP C[C@@H](O)C[NH2+][C@H]1CCCCCN(C(=O)CCC[NH+](C)C)C1 ZINC001375648802 974443335 /nfs/dbraw/zinc/44/33/35/974443335.db2.gz KRZXXBOZXYEZBR-CABCVRRESA-N 2 0 299.459 1.070 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001375768493 974472483 /nfs/dbraw/zinc/47/24/83/974472483.db2.gz TZFQWEYPVOFCKK-RDJZCZTQSA-N 2 0 293.455 1.709 10 0 CDAERP COC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001376370522 974644198 /nfs/dbraw/zinc/64/41/98/974644198.db2.gz FQWMWJYLEIYIFC-KBUPBQIOSA-N 2 0 297.443 1.133 10 0 CDAERP CC(C)=CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001502025824 974677554 /nfs/dbraw/zinc/67/75/54/974677554.db2.gz FVRSWGOZDTXLEE-CQSZACIVSA-N 2 0 279.428 1.533 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001376722724 974743992 /nfs/dbraw/zinc/74/39/92/974743992.db2.gz WSIZZHJWHQUKNP-GJZGRUSLSA-N 2 0 283.460 2.000 10 0 CDAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC[C@H]1CCCCO1 ZINC001376885209 974803650 /nfs/dbraw/zinc/80/36/50/974803650.db2.gz QMCVXNBHGKJZKY-LSDHHAIUSA-N 2 0 297.443 1.136 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001376940792 974825144 /nfs/dbraw/zinc/82/51/44/974825144.db2.gz LRJPETHOPFXTPR-ZFWWWQNUSA-N 2 0 299.434 1.514 10 0 CDAERP CC1CC(C[N@H+](C)[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001376979197 974836031 /nfs/dbraw/zinc/83/60/31/974836031.db2.gz NQMRMSIVZCXMFQ-GPANFISMSA-N 2 0 295.471 1.907 10 0 CDAERP Cc1cc(C[NH2+][C@@H](C)CCNC(=O)C[NH+]2CCCC2)on1 ZINC001377105488 974884227 /nfs/dbraw/zinc/88/42/27/974884227.db2.gz IKPTWXQYFYSGPP-LBPRGKRZSA-N 2 0 294.399 1.063 10 0 CDAERP C[C@@H]([NH2+]CCC1CC1)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001505622169 974941634 /nfs/dbraw/zinc/94/16/34/974941634.db2.gz QNAGELQUJMXEHT-OLZOCXBDSA-N 2 0 281.444 1.754 10 0 CDAERP C[C@H](F)CC[NH2+][C@@H](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001377455713 975032989 /nfs/dbraw/zinc/03/29/89/975032989.db2.gz ROUPFMVVRQHQPN-KBPBESRZSA-N 2 0 299.434 1.847 10 0 CDAERP CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]C/C=C/Cl ZINC001378323659 975329522 /nfs/dbraw/zinc/32/95/22/975329522.db2.gz XOBBJWPUVZWKHD-UXONFWTHSA-N 2 0 285.819 1.319 10 0 CDAERP CC(C)[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]21 ZINC001507360326 975428503 /nfs/dbraw/zinc/42/85/03/975428503.db2.gz GOUWFJXSWLVRSH-BZUAXINKSA-N 2 0 295.471 1.953 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@H]1C[NH+](CC2CC2)CC1(C)C ZINC001378665002 975435545 /nfs/dbraw/zinc/43/55/45/975435545.db2.gz QDWJZPOARGPJDV-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CCO)[C@@H]1CC)[NH+](CC)CC ZINC001397189459 975493102 /nfs/dbraw/zinc/49/31/02/975493102.db2.gz CEPMFTKKFDZIDV-RRFJBIMHSA-N 2 0 299.459 1.068 10 0 CDAERP CC(C)[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001507628299 975517236 /nfs/dbraw/zinc/51/72/36/975517236.db2.gz SEQPBSRGJHVGRL-CABCVRRESA-N 2 0 299.459 1.019 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2C[C@H]([NH2+]CC3CCC3)C2)C1 ZINC001388734434 975573585 /nfs/dbraw/zinc/57/35/85/975573585.db2.gz NQZNDNANSHHNTJ-BZUAXINKSA-N 2 0 293.455 1.613 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001388736812 975575027 /nfs/dbraw/zinc/57/50/27/975575027.db2.gz RXLZKWXRYVUVOA-QKPAOTATSA-N 2 0 295.471 1.859 10 0 CDAERP CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001379008447 975593770 /nfs/dbraw/zinc/59/37/70/975593770.db2.gz CJHYVUWGDRGTCT-HUUCEWRRSA-N 2 0 281.444 1.706 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CC[C@@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001405108080 975626886 /nfs/dbraw/zinc/62/68/86/975626886.db2.gz FNPHFGJWAPAKJB-ZIAGYGMSSA-N 2 0 299.434 1.609 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC001389387473 975799383 /nfs/dbraw/zinc/79/93/83/975799383.db2.gz HXDPMCQXSVFLLH-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H](C[NH2+]CC1CC2(CCC2)C1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001401720946 975827780 /nfs/dbraw/zinc/82/77/80/975827780.db2.gz IRQQPBSYXGUGDR-ZFWWWQNUSA-N 2 0 293.455 1.613 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+]Cc1nccs1 ZINC001405716824 975830603 /nfs/dbraw/zinc/83/06/03/975830603.db2.gz JHNSYHUVIUYKNT-GFCCVEGCSA-N 2 0 298.456 1.325 10 0 CDAERP CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001401778509 975904154 /nfs/dbraw/zinc/90/41/54/975904154.db2.gz XRZNFYVZXLECDS-DZGCQCFKSA-N 2 0 281.444 1.850 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001379590104 975939708 /nfs/dbraw/zinc/93/97/08/975939708.db2.gz DUQQTXIUDUYYAM-HOCLYGCPSA-N 2 0 295.471 1.953 10 0 CDAERP CCCC[N@@H+]1CC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001401893358 975980101 /nfs/dbraw/zinc/98/01/01/975980101.db2.gz WBFLCCJQELRBOI-GJZGRUSLSA-N 2 0 281.444 1.851 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001389984024 976074530 /nfs/dbraw/zinc/07/45/30/976074530.db2.gz ZJPVZBOJMMKJTK-MCIONIFRSA-N 2 0 297.418 1.600 10 0 CDAERP CCC(CC)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2ccnc2C)C1 ZINC001390010588 976083178 /nfs/dbraw/zinc/08/31/78/976083178.db2.gz DRBFXKOMFKQPPK-GASCZTMLSA-N 2 0 292.427 1.865 10 0 CDAERP CC(C)[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001379918990 976128832 /nfs/dbraw/zinc/12/88/32/976128832.db2.gz OGEOSTPCGHFQAZ-JKSUJKDBSA-N 2 0 295.471 2.000 10 0 CDAERP CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC[C@@H](C)F)C[C@H]21)[NH+](C)C ZINC001390223983 976174865 /nfs/dbraw/zinc/17/48/65/976174865.db2.gz TZKBYUDMYGEWMD-NIFZNCRKSA-N 2 0 299.434 1.367 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@@H+]1CCCC1CCC1 ZINC001380039694 976204160 /nfs/dbraw/zinc/20/41/60/976204160.db2.gz YXTHHXPRSMPKBF-MRXNPFEDSA-N 2 0 293.455 1.853 10 0 CDAERP CC(C)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001402425400 976275103 /nfs/dbraw/zinc/27/51/03/976275103.db2.gz LGKFCNZDYLIBIL-LSDHHAIUSA-N 2 0 293.455 1.565 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(C)C)C1 ZINC001390459451 976304931 /nfs/dbraw/zinc/30/49/31/976304931.db2.gz PQAVQCHDLUYSDM-HUUCEWRRSA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]2C[NH+](CCF)CC[C@@H]21 ZINC001402588260 976379436 /nfs/dbraw/zinc/37/94/36/976379436.db2.gz UHHXJWHZTCGYDA-GJZGRUSLSA-N 2 0 299.434 1.609 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H]2C[N@H+](CCF)CC[C@H]21 ZINC001402598005 976387449 /nfs/dbraw/zinc/38/74/49/976387449.db2.gz ZKIOGABKUHACCU-UONOGXRCSA-N 2 0 285.407 1.221 10 0 CDAERP CC[C@H](C[N@@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C)C1)OC ZINC001402660846 976431116 /nfs/dbraw/zinc/43/11/16/976431116.db2.gz INGQDJBFHZDHFZ-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H]([NH2+]C/C=C\Cl)C2)C1 ZINC001402760914 976468535 /nfs/dbraw/zinc/46/85/35/976468535.db2.gz MBFLXRQZKUFBMI-VTUYONSCSA-N 2 0 299.846 1.661 10 0 CDAERP CC(C)CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001406933670 976485355 /nfs/dbraw/zinc/48/53/55/976485355.db2.gz BTMSWAPVJSVVIC-CQSZACIVSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001380677063 976512216 /nfs/dbraw/zinc/51/22/16/976512216.db2.gz BCBCSBHRUPCKGP-KGLIPLIRSA-N 2 0 281.444 1.421 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCOC ZINC001380754922 976538993 /nfs/dbraw/zinc/53/89/93/976538993.db2.gz BXOKYWGUFYKMLY-CABCVRRESA-N 2 0 297.443 1.040 10 0 CDAERP CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]CC1CCCC1)[NH+](C)C ZINC001403057162 976686328 /nfs/dbraw/zinc/68/63/28/976686328.db2.gz YNSCTNNGNNGMSM-UKRRQHHQSA-N 2 0 283.460 1.857 10 0 CDAERP CCCC[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001391097276 976692048 /nfs/dbraw/zinc/69/20/48/976692048.db2.gz AQHCOOAIMIRDCL-CABCVRRESA-N 2 0 281.444 1.566 10 0 CDAERP CC[N@@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C[C@@H]1C ZINC001381164534 976698781 /nfs/dbraw/zinc/69/87/81/976698781.db2.gz CZIHVDJOXFKHBS-UONOGXRCSA-N 2 0 297.443 1.086 10 0 CDAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)CC1CCCC1 ZINC001403196242 976808445 /nfs/dbraw/zinc/80/84/45/976808445.db2.gz GVWMKMWFYYMAMY-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC[C@H](C)F ZINC001400109150 976856306 /nfs/dbraw/zinc/85/63/06/976856306.db2.gz AFQKXPYVSCEHBI-SOUVJXGZSA-N 2 0 299.434 1.752 10 0 CDAERP CC[N@@H+]1CC[C@@H](CCNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001400170555 976906430 /nfs/dbraw/zinc/90/64/30/976906430.db2.gz VYENWUANHNFNJY-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP CCCC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001400231532 976943668 /nfs/dbraw/zinc/94/36/68/976943668.db2.gz SHQJNKPJWLGSIH-CVEARBPZSA-N 2 0 295.471 1.909 10 0 CDAERP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CC(C)C)C1)[NH+](CC)CC ZINC001391593785 976981323 /nfs/dbraw/zinc/98/13/23/976981323.db2.gz OHWBBOKLRLEDHO-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2ccsc2)C1 ZINC001391593560 976982267 /nfs/dbraw/zinc/98/22/67/976982267.db2.gz NVTAGPTUAJTYPE-CQSZACIVSA-N 2 0 295.452 1.780 10 0 CDAERP CC[NH2+]C[C@@]1(NC(=O)C23CC[NH+](CC2)C3)CCCC[C@@H]1C ZINC001391804235 977102514 /nfs/dbraw/zinc/10/25/14/977102514.db2.gz FZEAEXDLQUTGNX-YOEHRIQHSA-N 2 0 293.455 1.757 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC[C@H](C)F)C1 ZINC001400678994 977137411 /nfs/dbraw/zinc/13/74/11/977137411.db2.gz TZLDVIDGKAGQKK-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP Cc1nc(C[NH2+]C[C@H](C)CNC(=O)C[N@H+](C)C(C)C)co1 ZINC001391960065 977163462 /nfs/dbraw/zinc/16/34/62/977163462.db2.gz HPWHFCOVLOKZOO-LBPRGKRZSA-N 2 0 296.415 1.165 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001392076444 977213750 /nfs/dbraw/zinc/21/37/50/977213750.db2.gz UAPZFJUBRXZKFC-CHWSQXEVSA-N 2 0 287.423 1.655 10 0 CDAERP CC(C)[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CCC1 ZINC001392251223 977281037 /nfs/dbraw/zinc/28/10/37/977281037.db2.gz UPQUJZQCLCUTHZ-JKSUJKDBSA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)C[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001392619508 977506299 /nfs/dbraw/zinc/50/62/99/977506299.db2.gz QQJYEQWBNWQBPI-GJZGRUSLSA-N 2 0 283.460 1.857 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CCC1 ZINC001393457026 977792374 /nfs/dbraw/zinc/79/23/74/977792374.db2.gz FSLCNKHVMUEVSF-JKSUJKDBSA-N 2 0 293.455 1.804 10 0 CDAERP CC(C)C[NH2+]CC1CC(NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001393897564 977954577 /nfs/dbraw/zinc/95/45/77/977954577.db2.gz WCXXAARJBDIXIU-UHFFFAOYSA-N 2 0 293.455 1.755 10 0 CDAERP CN(CC(C)(C)C[NH2+]CC1CC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001394035985 978018551 /nfs/dbraw/zinc/01/85/51/978018551.db2.gz SZRBEEPFBSSIPS-HNNXBMFYSA-N 2 0 295.471 1.812 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@H]1C[C@H](C[NH2+]CC2CCC2)C1 ZINC001394372383 978144856 /nfs/dbraw/zinc/14/48/56/978144856.db2.gz ZXVCUIOGHJLWFN-SHTZXODSSA-N 2 0 281.444 1.613 10 0 CDAERP CCC[NH2+][C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC1(C)C ZINC001394725474 978241425 /nfs/dbraw/zinc/24/14/25/978241425.db2.gz MWTZMTSCVKFMKL-ZDUSSCGKSA-N 2 0 281.444 1.565 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]C[C@H]1CCOC1)C(C)(C)C ZINC001394837210 978280248 /nfs/dbraw/zinc/28/02/48/978280248.db2.gz YZMWWLWWBWIZKT-KGLIPLIRSA-N 2 0 299.459 1.095 10 0 CDAERP CCCCC[NH+]1CC([C@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001675359680 1174106209 /nfs/dbraw/zinc/10/62/09/1174106209.db2.gz KEJPDCSDFUEEDE-GJZGRUSLSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[NH2+]CCC[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001675958839 1174168703 /nfs/dbraw/zinc/16/87/03/1174168703.db2.gz MUJSJUYLCLREFV-CYBMUJFWSA-N 2 0 269.433 1.611 10 0 CDAERP C[N@H+](CC(=O)NC1CC(C[NH2+]C/C=C/Cl)C1)C1CCC1 ZINC001570564383 1170191167 /nfs/dbraw/zinc/19/11/67/1170191167.db2.gz YCBHJWVWAAMJTR-ZZXKWVIFSA-N 2 0 299.846 1.708 10 0 CDAERP CCCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001571002807 1170328569 /nfs/dbraw/zinc/32/85/69/1170328569.db2.gz UKEXAWSGNIRFHU-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)[NH2+]CCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001571324219 1170364937 /nfs/dbraw/zinc/36/49/37/1170364937.db2.gz AIRKVOOPZKQUPH-STQMWFEESA-N 2 0 255.406 1.221 10 0 CDAERP CCCCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001571654553 1170510102 /nfs/dbraw/zinc/51/01/02/1170510102.db2.gz FULHPDBIWQGTIN-NRXISQOPSA-N 2 0 281.444 1.850 10 0 CDAERP CCC[N@H+]1CC=C(CNC(=O)CCCC[NH+](C)C)CC1 ZINC001571698464 1170526594 /nfs/dbraw/zinc/52/65/94/1170526594.db2.gz HSDGMVHJMRTEOL-UHFFFAOYSA-N 2 0 281.444 1.877 10 0 CDAERP CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001656368904 1171812921 /nfs/dbraw/zinc/81/29/21/1171812921.db2.gz BHONTAJOJMPVSP-BFHYXJOUSA-N 2 0 269.433 1.611 10 0 CDAERP CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650745619 398173253 /nfs/dbraw/zinc/17/32/53/398173253.db2.gz KQAYXIMPFBOIBL-NWDGAFQWSA-N 2 0 274.430 1.061 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCC2CC[NH2+]CC2)[C@@H]2CCC[C@H]21 ZINC000650761992 398183797 /nfs/dbraw/zinc/18/37/97/398183797.db2.gz PKEXEBROLCLJDE-HRCADAONSA-N 3 0 265.445 1.839 10 0 CDAERP C[NH+]1CCN(c2cc[nH+]c(NC3CCOCC3)c2)CC1 ZINC000116601394 342045716 /nfs/dbraw/zinc/04/57/16/342045716.db2.gz MMDFHRHBDGVWGF-UHFFFAOYSA-N 2 0 276.384 1.424 10 0 CDAERP C[N@H+](CCNC(=O)C[NH2+]C1CC1)C1CCCCC1 ZINC000237142567 342058571 /nfs/dbraw/zinc/05/85/71/342058571.db2.gz LRHCBARBDRWTJT-UHFFFAOYSA-N 2 0 253.390 1.119 10 0 CDAERP [NH3+]CCN1CC[NH2+]C[C@H]1c1cc2ccccc2cn1 ZINC000616636041 342121135 /nfs/dbraw/zinc/12/11/35/342121135.db2.gz QIWBJNNBKCSWJT-HNNXBMFYSA-N 2 0 256.353 1.140 10 0 CDAERP COCCN(C)C[C@H](O)C[N@@H+]1C[C@@H](C)CC[C@@H]1C ZINC000310857671 342139451 /nfs/dbraw/zinc/13/94/51/342139451.db2.gz JYEDKOMDVCGQAR-IHRRRGAJSA-N 2 0 258.406 1.046 10 0 CDAERP [NH3+]C[C@@H]1CC[NH2+][C@@]12CCCN(Cc1ccccc1)C2 ZINC000096885114 185121592 /nfs/dbraw/zinc/12/15/92/185121592.db2.gz XLHBPHGHSBMTBK-JKSUJKDBSA-N 2 0 259.397 1.589 10 0 CDAERP C[C@@H](Cc1ccsc1)[NH2+]CC1([NH3+])CCOCC1 ZINC000629387816 361903460 /nfs/dbraw/zinc/90/34/60/361903460.db2.gz KPJIXYXKDQPDHH-NSHDSACASA-N 2 0 254.399 1.777 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000629397767 361928397 /nfs/dbraw/zinc/92/83/97/361928397.db2.gz CTCJSVUEMHBOFT-UHFFFAOYSA-N 2 0 280.397 1.593 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000629397973 361930078 /nfs/dbraw/zinc/93/00/78/361930078.db2.gz IAFZJXZUNPHXJF-UHFFFAOYSA-N 2 0 274.311 1.743 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000629398652 361931517 /nfs/dbraw/zinc/93/15/17/361931517.db2.gz WIUOGQDBRUUPGL-UHFFFAOYSA-N 2 0 274.368 1.327 10 0 CDAERP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CCOCCC[NH3+] ZINC000629398714 361931834 /nfs/dbraw/zinc/93/18/34/361931834.db2.gz XTQXAGLHFFGHDM-GFCCVEGCSA-N 2 0 297.374 1.498 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)Cc1ccn(C(C)C)n1 ZINC000629404876 361947254 /nfs/dbraw/zinc/94/72/54/361947254.db2.gz SDQKFABBQOQGMO-CYBMUJFWSA-N 2 0 268.405 1.221 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655686348 539062189 /nfs/dbraw/zinc/06/21/89/539062189.db2.gz DVYBWCJURROZQU-ZBFHGGJFSA-N 2 0 283.460 1.560 10 0 CDAERP CCSCC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000600767130 342248092 /nfs/dbraw/zinc/24/80/92/342248092.db2.gz QTMJRAZJGKYMDV-CQSZACIVSA-N 2 0 272.458 1.830 10 0 CDAERP C[N@@H+](Cc1cccnc1)C[C@H]1CCN(Cc2cncnc2)C1 ZINC000190472770 539154071 /nfs/dbraw/zinc/15/40/71/539154071.db2.gz GELHZGJLBMUDCK-MRXNPFEDSA-N 2 0 297.406 1.826 10 0 CDAERP C[C@@H]1C[C@@H](C)C[NH+](CCN2CC[NH+](CCCF)CC2)C1 ZINC000626070061 342298853 /nfs/dbraw/zinc/29/88/53/342298853.db2.gz XTUNUNCFUBRTOE-HZPDHXFCSA-N 2 0 285.451 1.942 10 0 CDAERP C[C@H](CSCCF)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000595017595 342995712 /nfs/dbraw/zinc/99/57/12/342995712.db2.gz KLJLBDLKVJMLLY-CHWSQXEVSA-N 2 0 277.453 1.303 10 0 CDAERP CCc1nccn1[C@@H](C)CC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000629452972 362056421 /nfs/dbraw/zinc/05/64/21/362056421.db2.gz ZYSJPJSESDXXCZ-STQMWFEESA-N 2 0 278.400 1.607 10 0 CDAERP CCC[C@H](C)CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000629511954 362122877 /nfs/dbraw/zinc/12/28/77/362122877.db2.gz NYGUNRFPKFXPTO-LSDHHAIUSA-N 2 0 283.460 1.990 10 0 CDAERP CCC[C@H]([NH2+]CCOCC[NH2+]C)c1cccnc1 ZINC000629529603 362157419 /nfs/dbraw/zinc/15/74/19/362157419.db2.gz IKEMAUHDZYCQEL-AWEZNQCLSA-N 2 0 251.374 1.748 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)c1ccc(C)nc1C ZINC000629530101 362161442 /nfs/dbraw/zinc/16/14/42/362161442.db2.gz VMHMMERDTXVCRL-GFCCVEGCSA-N 2 0 251.374 1.585 10 0 CDAERP CC(C)n1ncnc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000631168359 362164778 /nfs/dbraw/zinc/16/47/78/362164778.db2.gz DRCXJFIWWDXBSX-TXEJJXNPSA-N 2 0 251.378 1.289 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H](C)[NH+](CC)CC)C1 ZINC000097174563 534941569 /nfs/dbraw/zinc/94/15/69/534941569.db2.gz JMGBSWPSKXTBRJ-CABCVRRESA-N 2 0 298.475 1.748 10 0 CDAERP CC(C)(C)c1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)s1 ZINC000263229782 362357926 /nfs/dbraw/zinc/35/79/26/362357926.db2.gz NFFQNUJCMLGRRJ-PWSUYJOCSA-N 2 0 268.426 1.716 10 0 CDAERP O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)C1C[NH2+]C1 ZINC000263234436 362367610 /nfs/dbraw/zinc/36/76/10/362367610.db2.gz BLFXMHCWRWKEMK-UHFFFAOYSA-N 2 0 291.370 1.126 10 0 CDAERP CCN(CCC[NH+](C)C)c1nc(N)[nH+]c2c1CCCC2 ZINC000645222008 362452090 /nfs/dbraw/zinc/45/20/90/362452090.db2.gz GXDYXBBOWULBOK-UHFFFAOYSA-N 2 0 277.416 1.546 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[C@H]([NH3+])C1)[NH+]1CCC(C)CC1 ZINC000263294094 344698378 /nfs/dbraw/zinc/69/83/78/344698378.db2.gz XKWXIIJGTGOXOX-RDBSUJKOSA-N 2 0 267.417 1.350 10 0 CDAERP CN(CC(C)(C)C[NH3+])C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000262403419 282367137 /nfs/dbraw/zinc/36/71/37/282367137.db2.gz ALFXWDGMMPNKJX-AGIUHOORSA-N 2 0 267.417 1.350 10 0 CDAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000263286205 362568243 /nfs/dbraw/zinc/56/82/43/362568243.db2.gz VBDOALHQAYFCBQ-LVQVYYBASA-N 2 0 260.381 1.493 10 0 CDAERP CCN(C(=O)[C@H](C)[NH+]1[C@H](C)CC[C@@H]1C)[C@H]1CC[N@H+](C)C1 ZINC000617555935 345851995 /nfs/dbraw/zinc/85/19/95/345851995.db2.gz GIQSRWDXOKXSEA-XGUBFFRZSA-N 2 0 281.444 1.800 10 0 CDAERP CC(C)[C@@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)N1CCOCC1 ZINC000623345422 346072854 /nfs/dbraw/zinc/07/28/54/346072854.db2.gz BUCNMLUBWGNMOO-HZPDHXFCSA-N 2 0 297.487 1.806 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CCCC(=O)NC2CC2)CC1(C)C ZINC000623358934 346087049 /nfs/dbraw/zinc/08/70/49/346087049.db2.gz ZVHQRNSEMCEDKZ-CYBMUJFWSA-N 2 0 267.417 1.508 10 0 CDAERP COCC[N@H+]([C@@H](C)C[C@@](C)(O)C[NH3+])[C@@H](C)C1CC1 ZINC000085301167 179009814 /nfs/dbraw/zinc/00/98/14/179009814.db2.gz DLJMFSNWHWQSFD-SGMGOOAPSA-N 2 0 258.406 1.222 10 0 CDAERP C[N@H+](CCCC[C@](C)(O)C[NH3+])CC1CC[NH+](C)CC1 ZINC000085302935 179010986 /nfs/dbraw/zinc/01/09/86/179010986.db2.gz KXHMJPOYWUEMFO-HNNXBMFYSA-N 3 0 271.449 1.140 10 0 CDAERP C[NH+](C)Cc1cccc(NC(=O)[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000085361433 179033204 /nfs/dbraw/zinc/03/32/04/179033204.db2.gz RWFMNVLWCSZFRA-KBPBESRZSA-N 2 0 261.369 1.814 10 0 CDAERP CC[NH+](CC)C1CCN(C(=O)[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000085369535 179038991 /nfs/dbraw/zinc/03/89/91/179038991.db2.gz PIJJNYCXEBVFGB-LSDHHAIUSA-N 2 0 281.444 1.837 10 0 CDAERP CC[NH+](CC)C1CCN(C(=O)[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000085369533 179039234 /nfs/dbraw/zinc/03/92/34/179039234.db2.gz PIJJNYCXEBVFGB-GJZGRUSLSA-N 2 0 281.444 1.837 10 0 CDAERP CCC(CC)[C@@H](CNC(=O)[C@H]1CCCC[C@@H]1[NH3+])[NH+](C)C ZINC000085371140 179041120 /nfs/dbraw/zinc/04/11/20/179041120.db2.gz UKBHPAFBRVSEFB-SOUVJXGZSA-N 2 0 283.460 1.987 10 0 CDAERP Cc1cc(NCC(=O)N2CC[NH2+]CC2)c2ccccc2[nH+]1 ZINC000037716286 346367202 /nfs/dbraw/zinc/36/72/02/346367202.db2.gz FFMTXUKCEZQOSC-UHFFFAOYSA-N 2 0 284.363 1.387 10 0 CDAERP CCn1cnnc1CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623423466 346468616 /nfs/dbraw/zinc/46/86/16/346468616.db2.gz HOHSDJDCQNJRHV-LBPRGKRZSA-N 2 0 265.405 1.303 10 0 CDAERP C[NH+]1CCN(CC[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000085674494 179111738 /nfs/dbraw/zinc/11/17/38/179111738.db2.gz PLRNFDVUDJQAJN-KFWWJZLASA-N 2 0 281.444 1.027 10 0 CDAERP CCC[C@@H]1CN(CC2CC[NH+](CC)CC2)CC[NH2+]1 ZINC000086145719 179238714 /nfs/dbraw/zinc/23/87/14/179238714.db2.gz UITXDRVPUMPCRZ-OAHLLOKOSA-N 2 0 253.434 1.792 10 0 CDAERP CC[C@@H](C)[C@@H]1CN(C[C@@H]2CC[N@H+](CC)C2)CC[NH2+]1 ZINC000086141825 179236510 /nfs/dbraw/zinc/23/65/10/179236510.db2.gz UXMDIGGGJNMBDS-KFWWJZLASA-N 2 0 253.434 1.648 10 0 CDAERP C[N@@H+]1CC[C@@H](CN2CC[NH2+]C3(CCCCC3)C2)C1 ZINC000086141885 179236989 /nfs/dbraw/zinc/23/69/89/179236989.db2.gz QDLCGPHVBDBCMU-CQSZACIVSA-N 2 0 251.418 1.546 10 0 CDAERP C[NH+]1CCC(C[N@@H+]2CCN[C@@](C)(C3CC3)C2)CC1 ZINC000086145647 179237933 /nfs/dbraw/zinc/23/79/33/179237933.db2.gz HZJJVMAHASPRRQ-OAHLLOKOSA-N 2 0 251.418 1.402 10 0 CDAERP c1ccc([C@H]2C[NH2+]CCN2[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC000086176989 179246908 /nfs/dbraw/zinc/24/69/08/179246908.db2.gz VSUOYTJBJWPOHA-IAGOWNOFSA-N 2 0 271.408 1.727 10 0 CDAERP C[C@@H]1C[NH2+]C2(CCCC2)CN1C1CC[NH+](C)CC1 ZINC000086217855 179249338 /nfs/dbraw/zinc/24/93/38/179249338.db2.gz ZTUJGXDJJTVXMI-CYBMUJFWSA-N 2 0 251.418 1.687 10 0 CDAERP CC(C)[C@H]1C[NH2+]C(C)(C)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223115 179251824 /nfs/dbraw/zinc/25/18/24/179251824.db2.gz ZNZXBLGEWIXOIC-ZIAGYGMSSA-N 2 0 253.434 1.647 10 0 CDAERP C[N@@H+]1CC[C@H](NC[C@H]2CCCC[NH+]2CCO)CC1(C)C ZINC000623536086 347619793 /nfs/dbraw/zinc/61/97/93/347619793.db2.gz LOAVFLFJRCKYTE-LSDHHAIUSA-N 2 0 283.460 1.296 10 0 CDAERP C[C@@H](Cc1cnn(C)c1)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623541002 347622583 /nfs/dbraw/zinc/62/25/83/347622583.db2.gz QBDBQMAFDKCWOA-GXTWGEPZSA-N 2 0 264.417 1.814 10 0 CDAERP Cc1cc(C[NH2+]CCCN(C)CC[NH+](C)C)ccn1 ZINC000623576363 347641524 /nfs/dbraw/zinc/64/15/24/347641524.db2.gz TXLFUTJELMSTMK-UHFFFAOYSA-N 2 0 264.417 1.363 10 0 CDAERP CC[NH2+]Cc1occc1CN1CC[N@H+](C)[C@@H](CC)C1 ZINC000104127451 185900738 /nfs/dbraw/zinc/90/07/38/185900738.db2.gz XQKIOZTUQLLEFT-AWEZNQCLSA-N 2 0 265.401 1.915 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000636017536 362893873 /nfs/dbraw/zinc/89/38/73/362893873.db2.gz ZUHIVVJMSDWDLW-AWEZNQCLSA-N 2 0 272.352 1.435 10 0 CDAERP C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)CCN(C)c1cc[nH+]cc1 ZINC000615306653 348432909 /nfs/dbraw/zinc/43/29/09/348432909.db2.gz AFUXJFCWNWPNQT-DZGCQCFKSA-N 2 0 290.411 1.459 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)[C@H]1CCC[C@@H](C[NH3+])C1 ZINC000104202215 185928770 /nfs/dbraw/zinc/92/87/70/185928770.db2.gz WRRTXFWKSRJNKP-OLZOCXBDSA-N 2 0 255.406 1.162 10 0 CDAERP C[C@H](CNC(=O)c1ccccc1OCC[NH+](C)C)[NH+](C)C ZINC000068064356 349047162 /nfs/dbraw/zinc/04/71/62/349047162.db2.gz AJDWHTIRNNETBD-CYBMUJFWSA-N 2 0 293.411 1.307 10 0 CDAERP COc1ccc([C@H](C)[NH2+]CCOCCC[NH3+])cc1F ZINC000629541986 362966491 /nfs/dbraw/zinc/96/64/91/362966491.db2.gz VUMCZFOOIUVUGE-NSHDSACASA-N 2 0 270.348 1.850 10 0 CDAERP CC[C@H]([NH2+]CCOCCC[NH3+])c1ccc2c(c1)OCCO2 ZINC000629542290 362966822 /nfs/dbraw/zinc/96/68/22/362966822.db2.gz XXGAENOBBNVAIB-AWEZNQCLSA-N 2 0 294.395 1.864 10 0 CDAERP CN(C(=O)CC[C@@H]1CCC[NH2+]C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000621645900 350689321 /nfs/dbraw/zinc/68/93/21/350689321.db2.gz NNPFCGZQLVTJHG-ZFWWWQNUSA-N 2 0 279.428 1.461 10 0 CDAERP O=C(CC[C@H]1CCC[NH2+]C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000621653472 350691365 /nfs/dbraw/zinc/69/13/65/350691365.db2.gz ZHSLELTXCTYBKO-TZMCWYRMSA-N 2 0 265.401 1.119 10 0 CDAERP CN(CCOc1ccc(C[NH3+])cc1)CC[NH+](C)C ZINC000111131880 186356605 /nfs/dbraw/zinc/35/66/05/186356605.db2.gz DKSKRMFRJGJZQM-UHFFFAOYSA-N 2 0 251.374 1.018 10 0 CDAERP FC1(F)C[C@@H]1CC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000622044209 350949087 /nfs/dbraw/zinc/94/90/87/350949087.db2.gz YQGTWZTZIOGHHT-QNWHQSFQSA-N 2 0 274.355 1.778 10 0 CDAERP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000629558966 363001712 /nfs/dbraw/zinc/00/17/12/363001712.db2.gz OLLSGMJMEAVABF-MRXNPFEDSA-N 3 0 283.460 1.155 10 0 CDAERP CCCn1cc(CNC[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000116917114 351129105 /nfs/dbraw/zinc/12/91/05/351129105.db2.gz USQNRDQCUKKOBG-ZDUSSCGKSA-N 2 0 250.390 1.725 10 0 CDAERP Cn1cnc2cc(C[NH2+]C[C@@H]3CCCN3C)ccc21 ZINC000623786090 351276965 /nfs/dbraw/zinc/27/69/65/351276965.db2.gz WXWCGJAPYUBAFM-ZDUSSCGKSA-N 2 0 258.369 1.757 10 0 CDAERP CC(C)[C@@H](C)NC(=O)CN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584043 363038199 /nfs/dbraw/zinc/03/81/99/363038199.db2.gz KJSSTPYRNBDCIA-YUELXQCFSA-N 2 0 267.417 1.079 10 0 CDAERP O[C@H](C[NH2+][C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21)C[NH+]1CCCC1 ZINC000629585213 363051877 /nfs/dbraw/zinc/05/18/77/363051877.db2.gz NJWKWMFFMGALBB-MXASKKJJSA-N 2 0 290.382 1.510 10 0 CDAERP Cc1cc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)on1 ZINC000631114441 363094331 /nfs/dbraw/zinc/09/43/31/363094331.db2.gz VOAXEZQSEFJFPA-GFCCVEGCSA-N 2 0 266.389 1.099 10 0 CDAERP C[NH+](C)C1(CNC(=O)N[C@@H]2CCCC[NH2+]C2)CCCC1 ZINC000333917576 363220951 /nfs/dbraw/zinc/22/09/51/363220951.db2.gz NVXFCOSCFQSCKQ-CYBMUJFWSA-N 2 0 282.432 1.302 10 0 CDAERP C1=C(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)COCC1 ZINC000629648471 363247327 /nfs/dbraw/zinc/24/73/27/363247327.db2.gz OQDMAICCASDEDS-UHFFFAOYSA-N 2 0 279.428 1.139 10 0 CDAERP C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000414755033 366233978 /nfs/dbraw/zinc/23/39/78/366233978.db2.gz HAPJFCBBNXAESQ-BARDWOONSA-N 2 0 281.444 1.550 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)CC[N@@H+]1C ZINC000469506092 291046331 /nfs/dbraw/zinc/04/63/31/291046331.db2.gz BYECXFPGNWFNDJ-AJNGGQMLSA-N 2 0 279.428 1.460 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)CC[NH2+]1 ZINC000235689244 291044376 /nfs/dbraw/zinc/04/43/76/291044376.db2.gz DSGSLCRUPZIXHZ-KKUMJFAQSA-N 2 0 281.444 1.755 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000334283371 283111431 /nfs/dbraw/zinc/11/14/31/283111431.db2.gz ZBEPLIONLJFROD-HSBZDZAISA-N 2 0 265.401 1.071 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(C3CC3)C2)[C@H]2CCC[C@H]21 ZINC000353497016 283140519 /nfs/dbraw/zinc/14/05/19/283140519.db2.gz NSLSFUDCGIVWAQ-DMRZNYOFSA-N 2 0 263.429 1.686 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000418196643 283183759 /nfs/dbraw/zinc/18/37/59/283183759.db2.gz DNNKWTINNOTIMD-HZSPNIEDSA-N 2 0 284.448 1.404 10 0 CDAERP [NH3+]CCC[NH2+]CCCCCCCCCC[NH2+]CCC[NH3+] ZINC000013650030 356687431 /nfs/dbraw/zinc/68/74/31/356687431.db2.gz ZNFYRSDASHGZMB-UHFFFAOYSA-N 4 0 286.508 1.984 10 0 CDAERP O=C([C@@H]1CC12CC[NH2+]CC2)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000070254124 356871808 /nfs/dbraw/zinc/87/18/08/356871808.db2.gz KXTDIAMIDLFYIE-KGLIPLIRSA-N 2 0 277.412 1.073 10 0 CDAERP C[N@H+](CCCC[NH2+]C[C@H](O)C(F)(F)F)C1CC1 ZINC000584108489 357218326 /nfs/dbraw/zinc/21/83/26/357218326.db2.gz GZJYCUBPPVVQDR-JTQLQIEISA-N 2 0 254.296 1.374 10 0 CDAERP C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)C1 ZINC000087619442 357307038 /nfs/dbraw/zinc/30/70/38/357307038.db2.gz UUUWCMRTJPIMKE-ZFWWWQNUSA-N 2 0 273.380 1.036 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)C[C@@](C)(O)C2CC2)C1 ZINC000634707952 357388096 /nfs/dbraw/zinc/38/80/96/357388096.db2.gz NZDBLFIHIOXNKA-HYVNUMGLSA-N 2 0 298.471 1.466 10 0 CDAERP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cncc(OC)c1C ZINC000631087347 357444540 /nfs/dbraw/zinc/44/45/40/357444540.db2.gz UJPWUBXYEAVTGW-HNNXBMFYSA-N 2 0 295.427 1.845 10 0 CDAERP C[C@H](C[C@H]1CCC[NH2+]1)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733811 358073098 /nfs/dbraw/zinc/07/30/98/358073098.db2.gz OQYFRPLQLATWHH-MGPQQGTHSA-N 2 0 253.434 1.885 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634745804 358200843 /nfs/dbraw/zinc/20/08/43/358200843.db2.gz TVJGUSATENIACL-SDSIWUNFSA-N 2 0 279.428 1.317 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000571657655 366387169 /nfs/dbraw/zinc/38/71/69/366387169.db2.gz HHNHAJQLDDRGGE-MCIONIFRSA-N 2 0 282.432 1.016 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000055090920 358766931 /nfs/dbraw/zinc/76/69/31/358766931.db2.gz KYDROMFXXZSBBV-RDBSUJKOSA-N 2 0 267.417 1.495 10 0 CDAERP CC[NH+](CC)CCCNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000162345432 358839662 /nfs/dbraw/zinc/83/96/62/358839662.db2.gz LLSMRDIGWDLQKT-LSDHHAIUSA-N 2 0 298.475 1.746 10 0 CDAERP C[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2CC[NH3+])C1 ZINC000070552827 358969538 /nfs/dbraw/zinc/96/95/38/358969538.db2.gz HQLMBBWBFDFHLT-CYBMUJFWSA-N 2 0 275.396 1.259 10 0 CDAERP O=C(CC[C@H]1CC[NH2+]C1)NCCC[NH2+]Cc1cccnc1 ZINC000564947601 359020509 /nfs/dbraw/zinc/02/05/09/359020509.db2.gz RFCLCLFNJOAUSY-AWEZNQCLSA-N 2 0 290.411 1.067 10 0 CDAERP C([NH2+][C@H]1CCC[C@@H]1[C@@H]1COCCN1)C1(C2CC2)CC1 ZINC000261890260 359078560 /nfs/dbraw/zinc/07/85/60/359078560.db2.gz GJPJSUKVHODBAI-KKUMJFAQSA-N 2 0 264.413 1.923 10 0 CDAERP c1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)nc1 ZINC000261887967 359078640 /nfs/dbraw/zinc/07/86/40/359078640.db2.gz GBDRLEUGRQLJHP-ARFHVFGLSA-N 2 0 275.396 1.371 10 0 CDAERP C[C@]1(C[NH+]2CCC(O[C@@H]3CCOC3)CC2)CC[NH2+]C1 ZINC000261907075 359084635 /nfs/dbraw/zinc/08/46/35/359084635.db2.gz XHDLLBAYUAPDSZ-CABCVRRESA-N 2 0 268.401 1.256 10 0 CDAERP C[C@]1(CN2CCC[C@@H]([NH+]3CCCC3)CC2)CC[NH2+]C1 ZINC000261944109 359098222 /nfs/dbraw/zinc/09/82/22/359098222.db2.gz FAYINWSNNOBRSX-CVEARBPZSA-N 2 0 265.445 1.936 10 0 CDAERP COCC[N@H+](C)CCCN[C@H](C)c1cn2ccccc2n1 ZINC000559894269 359098455 /nfs/dbraw/zinc/09/84/55/359098455.db2.gz KQQFBUWBSLYBTO-CQSZACIVSA-N 2 0 290.411 1.953 10 0 CDAERP C[C@H]1CN(Cc2cc(-n3ccnc3)cs2)C[C@H]1[NH3+] ZINC000262026898 359124421 /nfs/dbraw/zinc/12/44/21/359124421.db2.gz NQFLMQSBTQUUFE-GXFFZTMASA-N 2 0 262.382 1.713 10 0 CDAERP C[C@H]1C[C@@H](NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)C[N@@H+]1C1CC1 ZINC000262366196 359166323 /nfs/dbraw/zinc/16/63/23/359166323.db2.gz LDTNUDZDADMVQS-ZDEQEGDKSA-N 2 0 265.401 1.116 10 0 CDAERP Cn1nccc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000152681188 359382985 /nfs/dbraw/zinc/38/29/85/359382985.db2.gz AJWGJVLGAJOJAB-UHFFFAOYSA-N 2 0 262.401 1.728 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](C[C@H](O)COC)CC1 ZINC000347996259 359759096 /nfs/dbraw/zinc/75/90/96/359759096.db2.gz LRYAOTMUIDBANY-AWEZNQCLSA-N 2 0 258.406 1.048 10 0 CDAERP CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000423393242 359786319 /nfs/dbraw/zinc/78/63/19/359786319.db2.gz MCPCCZBNNCEOPI-RWMBFGLXSA-N 2 0 255.406 1.221 10 0 CDAERP CSCC[NH+]1CCN(c2cc(C)ccn2)CC1 ZINC000336715319 359763879 /nfs/dbraw/zinc/76/38/79/359763879.db2.gz UPDUEYHENSIIKF-UHFFFAOYSA-N 2 0 251.399 1.875 10 0 CDAERP CCC[C@H](C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)[NH+](C)C ZINC000163311878 359903508 /nfs/dbraw/zinc/90/35/08/359903508.db2.gz RKAVCCYNWUJNJB-HUUCEWRRSA-N 2 0 281.444 1.661 10 0 CDAERP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)NC1CCCCC1 ZINC000063199916 360084633 /nfs/dbraw/zinc/08/46/33/360084633.db2.gz FHZPQVCHFKQVCA-INIZCTEOSA-N 2 0 293.455 1.899 10 0 CDAERP CN(C(=O)[C@H]1C[NH2+]Cc2ccccc21)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000335463031 360215846 /nfs/dbraw/zinc/21/58/46/360215846.db2.gz JWEYOLNRKDZVDQ-RDJZCZTQSA-N 2 0 299.418 1.569 10 0 CDAERP C[C@@H](Cc1c[nH]cn1)C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000569621988 360322279 /nfs/dbraw/zinc/32/22/79/360322279.db2.gz UWXCTSBYHHMZIQ-FZMZJTMJSA-N 2 0 276.384 1.141 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)N1CC[N@H+](C)CC12CCCCC2 ZINC000193323031 296017315 /nfs/dbraw/zinc/01/73/15/296017315.db2.gz WDJIHXIWAZGSOJ-CYBMUJFWSA-N 2 0 267.417 1.591 10 0 CDAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CN[C@@H]1CC[NH2+]C1 ZINC000635002901 360646082 /nfs/dbraw/zinc/64/60/82/360646082.db2.gz AZXAXGRTZLGEHZ-DJIMGWMZSA-N 2 0 273.424 1.706 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000626934615 360653883 /nfs/dbraw/zinc/65/38/83/360653883.db2.gz KDQZZYPDKPDYQG-APIJFGDWSA-N 2 0 296.459 1.547 10 0 CDAERP C[C@H]1CC[C@H](NC(=O)NCC2([NH+](C)C)CCCCC2)C[NH2+]1 ZINC000626920176 360636587 /nfs/dbraw/zinc/63/65/87/360636587.db2.gz VKVRPLGLAZNFIO-KBPBESRZSA-N 2 0 296.459 1.691 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)[C@@H]2[NH2+]CCCC2(C)C)CC[NH2+]1 ZINC000417811125 360779394 /nfs/dbraw/zinc/77/93/94/360779394.db2.gz CZQLEQXCYAHPAD-UTUOFQBUSA-N 2 0 253.390 1.021 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C)CC[NH+](C)C ZINC000338300159 360844879 /nfs/dbraw/zinc/84/48/79/360844879.db2.gz BPWIMFGBZGVPQO-QWHCGFSZSA-N 2 0 272.437 1.356 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000564726263 360898293 /nfs/dbraw/zinc/89/82/93/360898293.db2.gz MLTGZNQIWBVRRL-OLZOCXBDSA-N 2 0 253.390 1.104 10 0 CDAERP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000636204358 363746794 /nfs/dbraw/zinc/74/67/94/363746794.db2.gz MDCKLWVUQGQYTM-GJZGRUSLSA-N 2 0 281.444 1.565 10 0 CDAERP CC[NH2+]Cc1ccccc1NC(=O)CC[NH2+]C1CC1 ZINC000519544278 361344370 /nfs/dbraw/zinc/34/43/70/361344370.db2.gz FKPMXEIJNSWWSD-UHFFFAOYSA-N 2 0 261.369 1.877 10 0 CDAERP NC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000566352114 370690804 /nfs/dbraw/zinc/69/08/04/370690804.db2.gz WMBKOTZIUCQTAI-MRXNPFEDSA-N 2 0 287.407 1.562 10 0 CDAERP Cc1nc(F)ccc1C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000278293089 366817116 /nfs/dbraw/zinc/81/71/16/366817116.db2.gz BOJIWTKHBBRIPR-UHFFFAOYSA-N 2 0 294.418 1.645 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCC[C@H]([NH3+])C1)[N@H+](C)C1CC1 ZINC000167338048 361663368 /nfs/dbraw/zinc/66/33/68/361663368.db2.gz HNCCFKKARMPPKD-WOPDTQHZSA-N 2 0 253.390 1.103 10 0 CDAERP CC[NH+](CC)[C@H](C)CNc1cc[nH+]cc1C(N)=O ZINC000302203309 201393353 /nfs/dbraw/zinc/39/33/53/201393353.db2.gz BXUPIZPGDYMWQJ-SNVBAGLBSA-N 2 0 250.346 1.323 10 0 CDAERP [NH3+]C[C@H]1CCCN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)C1 ZINC000336601378 363814877 /nfs/dbraw/zinc/81/48/77/363814877.db2.gz WSVPHPSJEOCNLF-CYBMUJFWSA-N 2 0 287.407 1.186 10 0 CDAERP C[N@H+]1C[C@@H]2C[NH+](Cc3cc(-n4ccnc4)cs3)C[C@@H]2C1 ZINC000336626777 363891476 /nfs/dbraw/zinc/89/14/76/363891476.db2.gz XNNGHPBGOXMLNC-BETUJISGSA-N 2 0 288.420 1.927 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CCNC(=O)c2ccccc2)CC[N@@H+]1C ZINC000162506922 364621701 /nfs/dbraw/zinc/62/17/01/364621701.db2.gz PVKSDZRLGCYVDK-HIFRSBDPSA-N 2 0 275.396 1.489 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC(n2ccnc2)C1 ZINC000563946069 364777572 /nfs/dbraw/zinc/77/75/72/364777572.db2.gz QPXWUCIXLLZBKB-CYBMUJFWSA-N 2 0 262.357 1.141 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCC(CC[NH3+])CC1 ZINC000565158363 364876591 /nfs/dbraw/zinc/87/65/91/364876591.db2.gz XFTYPKZYOMKERI-HNNXBMFYSA-N 2 0 281.444 1.838 10 0 CDAERP Cc1nccn1CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000353501325 365260786 /nfs/dbraw/zinc/26/07/86/365260786.db2.gz ZCPAXARNHAWRPN-KFWWJZLASA-N 2 0 262.401 1.654 10 0 CDAERP [NH3+]CCC[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000414755555 241369236 /nfs/dbraw/zinc/36/92/36/241369236.db2.gz ZRGFBQYXVJTGMZ-UHFFFAOYSA-N 2 0 267.417 1.496 10 0 CDAERP CC(C)[NH+](CCCNC(=O)N1CC[C@@H]([NH+](C)C)C1)C(C)C ZINC000174357137 367060969 /nfs/dbraw/zinc/06/09/69/367060969.db2.gz GZRLVJKOPZGVIV-OAHLLOKOSA-N 2 0 298.475 1.841 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000626976826 367120419 /nfs/dbraw/zinc/12/04/19/367120419.db2.gz QCPQZTXKFMNQIA-CYBMUJFWSA-N 2 0 282.432 1.302 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000626971965 367110540 /nfs/dbraw/zinc/11/05/40/367110540.db2.gz AZAWAIJUDSKZCM-RFQIPJPRSA-N 2 0 282.432 1.299 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415033383 241526683 /nfs/dbraw/zinc/52/66/83/241526683.db2.gz BQONZFICUMWKRW-SOUVJXGZSA-N 2 0 253.434 1.824 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000627022309 367245094 /nfs/dbraw/zinc/24/50/94/367245094.db2.gz DBNYKSAMZHTESP-BFHYXJOUSA-N 2 0 296.459 1.547 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[NH2+]C1CCCCCC1 ZINC000627081144 367381296 /nfs/dbraw/zinc/38/12/96/367381296.db2.gz WASQIRDVNOHPNY-LSDHHAIUSA-N 2 0 296.459 1.739 10 0 CDAERP C[C@@H]1[N@H+](Cc2ccccc2)CC[C@]12C[NH+]=C(N)N2C ZINC000307283096 367417758 /nfs/dbraw/zinc/41/77/58/367417758.db2.gz JGEOAIBJMWHFOQ-WFASDCNBSA-N 2 0 258.369 1.280 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000627079398 367375782 /nfs/dbraw/zinc/37/57/82/367375782.db2.gz HWMGVFTXLGKAME-XUJVJEKNSA-N 2 0 290.411 1.646 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)[C@H](C)C1 ZINC000358206945 367512221 /nfs/dbraw/zinc/51/22/21/367512221.db2.gz SVIPAXKGBGXLNA-ARILJUKYSA-N 2 0 279.428 1.316 10 0 CDAERP C[C@@H](NC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@H](C)[NH3+] ZINC000416801914 242147269 /nfs/dbraw/zinc/14/72/69/242147269.db2.gz HGHTUGQJIXJJHL-OUCADQQQSA-N 2 0 278.400 1.324 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000088288897 482932776 /nfs/dbraw/zinc/93/27/76/482932776.db2.gz YDHVBKVLWORACD-QWHCGFSZSA-N 2 0 255.406 1.160 10 0 CDAERP C[C@H]1CCC[C@@](CNC(=O)NCCC[NH3+])([NH+](C)C)C1 ZINC000417217964 242362303 /nfs/dbraw/zinc/36/23/03/242362303.db2.gz RXMZILKIAXXMHM-GXTWGEPZSA-N 2 0 270.421 1.145 10 0 CDAERP C[C@@H](NC(=O)NCc1cccc(C[NH+](C)C)c1)[C@H](C)[NH3+] ZINC000417069523 242298044 /nfs/dbraw/zinc/29/80/44/242298044.db2.gz OOEOSFRQTCOEPV-NWDGAFQWSA-N 2 0 278.400 1.283 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627198971 367688697 /nfs/dbraw/zinc/68/86/97/367688697.db2.gz ZSQXBIOXZNGHDH-KGLIPLIRSA-N 2 0 296.459 1.643 10 0 CDAERP C[C@H]1C[C@H](C[NH2+]CCCNCc2cccnc2)CC[NH2+]1 ZINC000414857309 367713401 /nfs/dbraw/zinc/71/34/01/367713401.db2.gz COWQQZVUYIBSBX-LSDHHAIUSA-N 2 0 276.428 1.539 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000417746886 242637317 /nfs/dbraw/zinc/63/73/17/242637317.db2.gz HQHOTCPQJIQANK-CABCVRRESA-N 2 0 294.443 1.112 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000627243556 367841468 /nfs/dbraw/zinc/84/14/68/367841468.db2.gz MJTICASJDINICA-IGQOVBAYSA-N 2 0 280.416 1.005 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)C2=CC[C@H]([NH3+])C2)CC1 ZINC000638068458 367989670 /nfs/dbraw/zinc/98/96/70/367989670.db2.gz XPWZHFDNSMZCGB-HNNXBMFYSA-N 2 0 279.428 1.614 10 0 CDAERP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(N)=O ZINC000340173667 368290664 /nfs/dbraw/zinc/29/06/64/368290664.db2.gz MSZVXQCXGUXGNI-ZDUSSCGKSA-N 2 0 275.396 1.636 10 0 CDAERP C[C@H](CC[NH3+])NC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000418461503 243106250 /nfs/dbraw/zinc/10/62/50/243106250.db2.gz LYGNIZPJSIEFAH-MNOVXSKESA-N 2 0 264.373 1.243 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)N(C)CC[NH+](C)C)cc1 ZINC000418499959 243146484 /nfs/dbraw/zinc/14/64/84/243146484.db2.gz ZADGAQTUCIBALS-GFCCVEGCSA-N 2 0 278.400 1.409 10 0 CDAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000418565061 243218305 /nfs/dbraw/zinc/21/83/05/243218305.db2.gz XTLPLKMAMAKJQC-DZGCQCFKSA-N 2 0 296.459 1.500 10 0 CDAERP COC[C@@H](O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000539714410 368464944 /nfs/dbraw/zinc/46/49/44/368464944.db2.gz SPRCGQMTACPZPE-AWEZNQCLSA-N 2 0 258.406 1.046 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000418596824 243255772 /nfs/dbraw/zinc/25/57/72/243255772.db2.gz PDDJGYYECJRMCI-UKRRQHHQSA-N 2 0 296.459 1.358 10 0 CDAERP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C12CCC[NH+](CCC1)C2 ZINC000638147662 368559188 /nfs/dbraw/zinc/55/91/88/368559188.db2.gz XQNDWVRUHKBNDO-STQMWFEESA-N 2 0 265.401 1.058 10 0 CDAERP CC(C)n1ccc(C[C@H](C)[NH2+]CC2([NH3+])CCC2)n1 ZINC000414882286 368739218 /nfs/dbraw/zinc/73/92/18/368739218.db2.gz TXMWGPRPKUEHFZ-LBPRGKRZSA-N 2 0 250.390 1.866 10 0 CDAERP COCCOCCCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353495196 368906595 /nfs/dbraw/zinc/90/65/95/368906595.db2.gz GZYICIMNNCDKGH-XHSDSOJGSA-N 2 0 284.444 1.892 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCSCCCO)[C@@H]2CCC[C@@H]21 ZINC000367593054 369194901 /nfs/dbraw/zinc/19/49/01/369194901.db2.gz GENHIGOBZCOXIQ-IHRRRGAJSA-N 2 0 272.458 1.564 10 0 CDAERP CC[NH+](CC)[C@@H](C)CNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000115796840 369209190 /nfs/dbraw/zinc/20/91/90/369209190.db2.gz ZACPPYXFAUBDFD-LSDHHAIUSA-N 2 0 298.475 1.700 10 0 CDAERP C[NH+](C)Cc1cccc(NC(=O)NCCOCCC[NH3+])c1 ZINC000630580145 369304733 /nfs/dbraw/zinc/30/47/33/369304733.db2.gz PHLZAWDOXQBYLO-UHFFFAOYSA-N 2 0 294.399 1.235 10 0 CDAERP [NH3+]Cc1ccc(OCc2cn(C[C@H]3CCC[NH2+]3)nn2)cc1 ZINC000630605771 369387228 /nfs/dbraw/zinc/38/72/28/369387228.db2.gz PFEAGCATGYHTDG-CYBMUJFWSA-N 2 0 287.367 1.068 10 0 CDAERP COC(=O)C1(C[NH+]2CCC(C[NH+](C)C)CC2)CC1 ZINC000340289475 369471770 /nfs/dbraw/zinc/47/17/70/369471770.db2.gz ZELFSQPFPRPDCO-UHFFFAOYSA-N 2 0 254.374 1.213 10 0 CDAERP C[C@@H](NC(=O)c1ccc(Cn2ccnc2)cc1)[C@H](C)[NH3+] ZINC000567351273 370962675 /nfs/dbraw/zinc/96/26/75/370962675.db2.gz DAGIOJPMQNZLCI-NWDGAFQWSA-N 2 0 272.352 1.397 10 0 CDAERP C[C@H]1CC[C@@H](NC2CC[NH+](C(C)(C)C)CC2)C[NH2+]1 ZINC000398976737 369550859 /nfs/dbraw/zinc/55/08/59/369550859.db2.gz ZFHADQOZPRAABF-GXTWGEPZSA-N 2 0 253.434 1.979 10 0 CDAERP C[C@@H](CC[NH3+])[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000414901546 369558622 /nfs/dbraw/zinc/55/86/22/369558622.db2.gz XFFGTKVJRPJOGR-VIFPVBQESA-N 2 0 265.382 1.427 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000547968579 369702700 /nfs/dbraw/zinc/70/27/00/369702700.db2.gz LPALPYCLAWNPRC-GJZGRUSLSA-N 2 0 286.379 1.825 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1C ZINC000630826445 370051354 /nfs/dbraw/zinc/05/13/54/370051354.db2.gz ODSACKACEFMIKR-FPMFFAJLSA-N 2 0 265.401 1.070 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000119523059 370145878 /nfs/dbraw/zinc/14/58/78/370145878.db2.gz JTNMYVDNPHLPLS-UONOGXRCSA-N 2 0 298.475 1.746 10 0 CDAERP CCC[C@](C)([NH3+])C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371232737 370218453 /nfs/dbraw/zinc/21/84/53/370218453.db2.gz UPSMLWKPMDJBAM-IPYPFGDCSA-N 2 0 267.417 1.495 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000564956927 370309567 /nfs/dbraw/zinc/30/95/67/370309567.db2.gz YJDWUVAGCVBJPI-AVGNSLFASA-N 2 0 253.390 1.199 10 0 CDAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1C[NH2+]CC[C@H]1C ZINC000414929747 370428271 /nfs/dbraw/zinc/42/82/71/370428271.db2.gz OKPHKXAHVQVHIL-KBXIAJHMSA-N 2 0 253.434 1.885 10 0 CDAERP [NH3+]C1(CNC(=O)NCCC[C@@H]2CCC[NH2+]2)CCCCCC1 ZINC000418283099 370454745 /nfs/dbraw/zinc/45/47/45/370454745.db2.gz JBOKIKMFRBIFIR-AWEZNQCLSA-N 2 0 296.459 1.870 10 0 CDAERP C[NH+](C)Cc1ccc(NC(=O)CCOC2C[NH2+]C2)cc1 ZINC000645336695 370478426 /nfs/dbraw/zinc/47/84/26/370478426.db2.gz LOEKQLOAWAVKGW-UHFFFAOYSA-N 2 0 277.368 1.065 10 0 CDAERP Cc1cc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)ncn1 ZINC000293153831 370533380 /nfs/dbraw/zinc/53/33/80/370533380.db2.gz MNJMXFBGCLNJQY-LBPRGKRZSA-N 2 0 257.341 1.888 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc2c(c1)nnn2C ZINC000414935151 370600824 /nfs/dbraw/zinc/60/08/24/370600824.db2.gz AODUTBLINULBKT-ZYHUDNBSSA-N 2 0 259.357 1.056 10 0 CDAERP C(C1CC1)[NH+]1CCC(N[C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000422700453 245158154 /nfs/dbraw/zinc/15/81/54/245158154.db2.gz BWPYGJNOXIXANM-SJORKVTESA-N 2 0 293.455 1.217 10 0 CDAERP COCCN1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000375847413 371000471 /nfs/dbraw/zinc/00/04/71/371000471.db2.gz AWBVXHMXOKHXLI-ZACQAIPSSA-N 2 0 295.471 1.560 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)CC1 ZINC000422732952 245189744 /nfs/dbraw/zinc/18/97/44/245189744.db2.gz ANHWUTDXDQXTBM-SJORKVTESA-N 2 0 295.471 1.465 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@@H](CCC[NH3+])COC)CC1 ZINC000422746173 245206375 /nfs/dbraw/zinc/20/63/75/245206375.db2.gz WCMYVAWPEUVEGF-HNNXBMFYSA-N 3 0 271.449 1.452 10 0 CDAERP COCCOc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000414956744 371060523 /nfs/dbraw/zinc/06/05/23/371060523.db2.gz NRZJVCCJNUUVOW-CZUORRHYSA-N 2 0 278.396 1.799 10 0 CDAERP C[NH+](C)C1(CN[C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CCCC1 ZINC000422791789 245260204 /nfs/dbraw/zinc/26/02/04/245260204.db2.gz VEXMUWYAMUSFAY-LSDHHAIUSA-N 2 0 281.444 1.217 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000414969639 371121486 /nfs/dbraw/zinc/12/14/86/371121486.db2.gz ZNEGBAAHZIPASZ-CJNGLKHVSA-N 2 0 270.380 1.960 10 0 CDAERP CC[C@H](Cn1cncn1)[NH2+]CCCN1CCCO[C@@H](C)C1 ZINC000340513932 371471511 /nfs/dbraw/zinc/47/15/11/371471511.db2.gz YTYKALZPDOCYKU-LSDHHAIUSA-N 2 0 295.431 1.147 10 0 CDAERP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)[C@@H]1C[C@H]1C ZINC000575151061 371762552 /nfs/dbraw/zinc/76/25/52/371762552.db2.gz GRVCSMMSSHIZMX-QLFBSQMISA-N 2 0 253.434 1.648 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001661645321 1172420806 /nfs/dbraw/zinc/42/08/06/1172420806.db2.gz ZBRDLCBLRMELNA-BETUJISGSA-N 2 0 255.406 1.365 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N(C)CCC[NH3+] ZINC000577942005 372178574 /nfs/dbraw/zinc/17/85/74/372178574.db2.gz JRSQCMSLPXOWMV-STQMWFEESA-N 2 0 270.421 1.240 10 0 CDAERP C[C@H](CC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)[C@@H]1CCC[NH2+]C1 ZINC000578172993 372332995 /nfs/dbraw/zinc/33/29/95/372332995.db2.gz VWXLHMRJBXKGGS-INMHGKMJSA-N 2 0 293.455 1.614 10 0 CDAERP CCN(CCC[NH+](CC)CC)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000578246193 372367308 /nfs/dbraw/zinc/36/73/08/372367308.db2.gz KSQYLCRKHBBLMX-OAHLLOKOSA-N 2 0 283.460 1.909 10 0 CDAERP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000578363397 372422466 /nfs/dbraw/zinc/42/24/66/372422466.db2.gz LTUKDEWDNVASRX-KGLIPLIRSA-N 2 0 281.375 1.358 10 0 CDAERP O=C(CC[NH2+][C@@H]1CCC[NH2+]CC1)NC1CCCCC1 ZINC000333254249 205156056 /nfs/dbraw/zinc/15/60/56/205156056.db2.gz HLTGXOZZDOOFKJ-CYBMUJFWSA-N 2 0 267.417 1.557 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)C2CC[NH+](C3CC3)CC2)C1 ZINC000194351829 372858436 /nfs/dbraw/zinc/85/84/36/372858436.db2.gz KBNVJLQNVGJDJV-CYBMUJFWSA-N 2 0 279.428 1.319 10 0 CDAERP CC[N@H+](CC(=O)N(C)[C@H]1CC[NH+](CC)C[C@H]1C)C1CC1 ZINC000349356451 284380856 /nfs/dbraw/zinc/38/08/56/284380856.db2.gz DZRGTJALUSIVQD-HIFRSBDPSA-N 2 0 281.444 1.659 10 0 CDAERP CC[N@H+](CC(=O)N1CCC[C@H]1C[NH+](C)C)C1CC1 ZINC000361858368 284389389 /nfs/dbraw/zinc/38/93/89/284389389.db2.gz REPDLXNVAJDYLF-ZDUSSCGKSA-N 2 0 253.390 1.023 10 0 CDAERP CC[C@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000037017301 373983904 /nfs/dbraw/zinc/98/39/04/373983904.db2.gz JLVAIEOLXQKMPQ-AWEZNQCLSA-N 2 0 261.369 1.958 10 0 CDAERP C[C@H](CNC(=O)NCC[N@@H+]1CCCC[C@@H]1C)[NH+](C)C1CC1 ZINC000075960923 374205512 /nfs/dbraw/zinc/20/55/12/374205512.db2.gz MRSBOZIKKMGDRG-UONOGXRCSA-N 2 0 296.459 1.643 10 0 CDAERP CC[NH2+][C@H](C)CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000418461799 374388265 /nfs/dbraw/zinc/38/82/65/374388265.db2.gz MMSPLQIGUQCVPS-NEPJUHHUSA-N 2 0 278.400 1.504 10 0 CDAERP C[NH+]1CCN(CCC[NH2+]Cc2ccc(C(F)F)nc2)CC1 ZINC000631035766 374613706 /nfs/dbraw/zinc/61/37/06/374613706.db2.gz QBTZDKDCIJMOLX-UHFFFAOYSA-N 2 0 298.381 1.746 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652146921 412830135 /nfs/dbraw/zinc/83/01/35/412830135.db2.gz BQFJFILVXJIOBW-CQSZACIVSA-N 2 0 296.459 1.535 10 0 CDAERP C[NH2+]Cc1ccccc1NC(=O)NCCNc1cc[nH+]cc1 ZINC000415912184 375477726 /nfs/dbraw/zinc/47/77/26/375477726.db2.gz KPZJPEJDKYFYDT-UHFFFAOYSA-N 2 0 299.378 1.457 10 0 CDAERP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)[C@H]1CCC[NH2+]C1 ZINC000643479620 375851111 /nfs/dbraw/zinc/85/11/11/375851111.db2.gz FCEZQRKUOYNRIO-KBPBESRZSA-N 3 0 253.434 1.696 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N[C@H](C)[C@H](C)[NH3+])CC1 ZINC000417388100 376301966 /nfs/dbraw/zinc/30/19/66/376301966.db2.gz ICNJTTOSRLTFGL-NWDGAFQWSA-N 2 0 270.421 1.143 10 0 CDAERP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc3oc(=O)n(C)c3c2)C1 ZINC000631821635 376642360 /nfs/dbraw/zinc/64/23/60/376642360.db2.gz DPIFGWUHRGSKFT-YPMHNXCESA-N 2 0 289.379 1.691 10 0 CDAERP C[NH2+]CCOCCN(C)Cc1nc(C2CCC2)no1 ZINC000631830351 376669814 /nfs/dbraw/zinc/66/98/14/376669814.db2.gz QAVYFYMXWDVLJZ-UHFFFAOYSA-N 2 0 268.361 1.005 10 0 CDAERP C[C@@H]1C[N@H+](CCCOc2ccc3c(c2)OCO3)C[C@H]1C[NH3+] ZINC000631840745 376692211 /nfs/dbraw/zinc/69/22/11/376692211.db2.gz VDELREUXYNWNAL-CHWSQXEVSA-N 2 0 292.379 1.711 10 0 CDAERP CO[C@H](C[NH+]1CCC([NH2+]CCO)CC1)C1CCCC1 ZINC000631861478 376740380 /nfs/dbraw/zinc/74/03/80/376740380.db2.gz CFNMUVHQSQFQEZ-OAHLLOKOSA-N 2 0 270.417 1.238 10 0 CDAERP OCC[NH2+]C1CC[NH+](C[C@@H]2CCCCC2(F)F)CC1 ZINC000631862409 376742268 /nfs/dbraw/zinc/74/22/68/376742268.db2.gz PBKGGGJAYBLGKH-LBPRGKRZSA-N 2 0 276.371 1.858 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)N2CC[NH+]3CCC[C@H]3C2)C[N@@H+]1C1CC1 ZINC000246736955 376974685 /nfs/dbraw/zinc/97/46/85/376974685.db2.gz YAZBKRISBSCXCQ-IPYPFGDCSA-N 2 0 292.427 1.101 10 0 CDAERP CO[C@H](CC[NH2+][C@@H]1CN(C)C[C@@H]1C)C(F)(F)F ZINC000344865531 377029265 /nfs/dbraw/zinc/02/92/65/377029265.db2.gz MUMMNRDFNMGGPO-IVZWLZJFSA-N 2 0 254.296 1.494 10 0 CDAERP C[C@H]1[C@H]([NH3+])CCN1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000334886901 377679197 /nfs/dbraw/zinc/67/91/97/377679197.db2.gz APTCENQDMWFXLC-WCQYABFASA-N 2 0 282.432 1.380 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000091545829 377895369 /nfs/dbraw/zinc/89/53/69/377895369.db2.gz HGPVNSDBNFDABG-NEPJUHHUSA-N 2 0 253.390 1.103 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+](C)C[C@@H]2CC)CC[N@@H+]1C ZINC000632821765 377899812 /nfs/dbraw/zinc/89/98/12/377899812.db2.gz SJSCQXNRPQPJQC-SOUVJXGZSA-N 2 0 281.444 1.659 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000633074628 378101320 /nfs/dbraw/zinc/10/13/20/378101320.db2.gz SXQLJDCHUZZORG-UHFFFAOYSA-N 2 0 296.459 1.596 10 0 CDAERP C[C@@H](O)C[NH+]1CCC(C[NH2+][C@H](C)c2cccnc2)CC1 ZINC000069511732 378194060 /nfs/dbraw/zinc/19/40/60/378194060.db2.gz SGBKQWPGCPVJOH-ZIAGYGMSSA-N 2 0 277.412 1.825 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+]3CCCC[C@H]23)CC[N@@H+]1C ZINC000633594397 378576016 /nfs/dbraw/zinc/57/60/16/378576016.db2.gz REXMUOBQSDPIRE-ZJIFWQFVSA-N 2 0 293.455 1.850 10 0 CDAERP CO[C@@H]1CCC[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)C1 ZINC000657572646 412903850 /nfs/dbraw/zinc/90/38/50/412903850.db2.gz DWBLQYIJVAHIDI-ARFHVFGLSA-N 2 0 285.476 1.806 10 0 CDAERP CC[C@H]1C[C@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)CO1 ZINC000657572617 412905493 /nfs/dbraw/zinc/90/54/93/412905493.db2.gz DAAWTDXKKAZHGF-KKUMJFAQSA-N 2 0 271.449 1.416 10 0 CDAERP C[N@@H+](Cc1cccnc1)CC1CC[NH+](CCO)CC1 ZINC000069974253 379323314 /nfs/dbraw/zinc/32/33/14/379323314.db2.gz WNWHGFQKYZAUIQ-UHFFFAOYSA-N 2 0 263.385 1.218 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001662642127 1172574229 /nfs/dbraw/zinc/57/42/29/1172574229.db2.gz ZTHAEPKRKVTGBU-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H]([NH3+])c1cc(F)ccc1N1CC[C@H]([NH+](C)C)C1 ZINC000062966041 184568341 /nfs/dbraw/zinc/56/83/41/184568341.db2.gz GNBUSPKYWKIDIO-PWSUYJOCSA-N 2 0 251.349 1.986 10 0 CDAERP CCO[C@@H](C[NH3+])CC[NH+]1CCc2ccccc2CC1 ZINC000079570870 184593195 /nfs/dbraw/zinc/59/31/95/184593195.db2.gz FVHHNCMFXLLGTL-MRXNPFEDSA-N 2 0 262.397 1.841 10 0 CDAERP COC1([C@H](C)[NH2+]CCC[NH+]2CCCC2)CCOCC1 ZINC000453070761 252266293 /nfs/dbraw/zinc/26/62/93/252266293.db2.gz BZUCCGWBGAYQIW-AWEZNQCLSA-N 2 0 270.417 1.646 10 0 CDAERP CC[NH+](CC)CCC[C@H](C)Nc1nc(C)nc(N(C)C)n1 ZINC000489554847 253002894 /nfs/dbraw/zinc/00/28/94/253002894.db2.gz ULNVZJKBWAEMPM-LBPRGKRZSA-N 2 0 294.447 1.590 10 0 CDAERP [NH3+]C[C@@H](NC(=O)C1([NH2+]C2CC2)CCC1)C1CCCCC1 ZINC000662417888 412991413 /nfs/dbraw/zinc/99/14/13/412991413.db2.gz NMBORBUFLUXASQ-CQSZACIVSA-N 2 0 279.428 1.685 10 0 CDAERP O[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C12CCC2 ZINC000657707600 412992903 /nfs/dbraw/zinc/99/29/03/412992903.db2.gz IDDJKIDWRCORNZ-YIYPIFLZSA-N 2 0 250.386 1.506 10 0 CDAERP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000335906728 297398151 /nfs/dbraw/zinc/39/81/51/297398151.db2.gz RYGZYMYPWREPIB-CHWSQXEVSA-N 2 0 287.407 1.184 10 0 CDAERP CC(C)[C@@H](CNC(=O)[C@H]1CCCCC[NH2+]1)[NH+](C)C ZINC000081018008 177755274 /nfs/dbraw/zinc/75/52/74/177755274.db2.gz ZQFPUPNNZIRKIK-CHWSQXEVSA-N 2 0 255.406 1.221 10 0 CDAERP CC[C@H]([NH2+]C)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000662462978 413041045 /nfs/dbraw/zinc/04/10/45/413041045.db2.gz YHTJKKZVLMQPFS-AWEZNQCLSA-N 2 0 281.375 1.502 10 0 CDAERP C[NH+](C)[C@H]1CCN(C(=O)c2cccn2C2CC[NH2+]CC2)C1 ZINC000062972394 413042043 /nfs/dbraw/zinc/04/20/43/413042043.db2.gz QIMQRBQONJQYAE-AWEZNQCLSA-N 2 0 290.411 1.189 10 0 CDAERP O[C@H](C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C(F)F ZINC000423099900 285358136 /nfs/dbraw/zinc/35/81/36/285358136.db2.gz UQIKKUGIURFBJE-YWPYICTPSA-N 2 0 298.333 1.458 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C1(CC(N)=O)CCC1 ZINC000530547785 390237097 /nfs/dbraw/zinc/23/70/97/390237097.db2.gz KXORYTOEJUSQLJ-UHFFFAOYSA-N 2 0 299.378 1.463 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C(C)C)[C@@H](C)C1 ZINC000357240950 285366900 /nfs/dbraw/zinc/36/69/00/285366900.db2.gz SNDFNTSYGPUIDL-UONOGXRCSA-N 2 0 269.433 1.515 10 0 CDAERP CN(CCC(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21)c1cc[nH+]cc1 ZINC000646937831 390301141 /nfs/dbraw/zinc/30/11/41/390301141.db2.gz UGPNKLLYZNHWDB-UKRRQHHQSA-N 2 0 288.395 1.070 10 0 CDAERP C[C@H]1C[C@@H](c2nc([C@@H]3CCC[NH2+]3)no2)CC[N@@H+]1C ZINC000647145414 390559618 /nfs/dbraw/zinc/55/96/18/390559618.db2.gz VJLAZZBDUUYECK-DCAQKATOSA-N 2 0 250.346 1.692 10 0 CDAERP CC(C)NC(=O)CC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152338500 390631620 /nfs/dbraw/zinc/63/16/20/390631620.db2.gz ZPKPVWZGCUXPJA-CYBMUJFWSA-N 2 0 255.406 1.175 10 0 CDAERP CC(C)(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@]1(O)CCOC1 ZINC000647247606 390637987 /nfs/dbraw/zinc/63/79/87/390637987.db2.gz UHKKHIBKNCRSQM-YCPHGPKFSA-N 2 0 282.428 1.380 10 0 CDAERP C[C@]1(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)CC[NH2+]C1 ZINC000647538362 390686507 /nfs/dbraw/zinc/68/65/07/390686507.db2.gz ONHVUVBCXDPCJZ-HOTGVXAUSA-N 2 0 259.397 1.946 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)[C@H](C)[NH3+])[C@H](C)C1 ZINC000249119053 285393862 /nfs/dbraw/zinc/39/38/62/285393862.db2.gz WQYKZBVXKYKHPF-NDBYEHHHSA-N 2 0 255.406 1.158 10 0 CDAERP C[C@@H]([NH2+]CCCc1ncn(C)n1)C1CC[NH+](C)CC1 ZINC000647325962 390939222 /nfs/dbraw/zinc/93/92/22/390939222.db2.gz USIMNSAPAALFPJ-GFCCVEGCSA-N 2 0 265.405 1.068 10 0 CDAERP CC(C)C[C@@H]([NH3+])CN[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000415090685 391013103 /nfs/dbraw/zinc/01/31/03/391013103.db2.gz ZFSWLZMFRYNLSR-GHMZBOCLSA-N 2 0 295.349 1.503 10 0 CDAERP CC[C@H]([NH3+])CNC(=O)NCCC1CC[NH+](CC)CC1 ZINC000417751318 391026127 /nfs/dbraw/zinc/02/61/27/391026127.db2.gz PBBFGKVNLPOOMN-ZDUSSCGKSA-N 2 0 270.421 1.145 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)CC1 ZINC000417751913 391026721 /nfs/dbraw/zinc/02/67/21/391026721.db2.gz PYASKEZVCAAVOO-ZIAGYGMSSA-N 2 0 296.459 1.500 10 0 CDAERP Cn1nnc2cc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)ccc21 ZINC000647480243 390966849 /nfs/dbraw/zinc/96/68/49/390966849.db2.gz HQKQHRNTHCRUKV-CABCVRRESA-N 2 0 299.422 1.932 10 0 CDAERP c1ncn(-c2ccccc2C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC000647544570 390985441 /nfs/dbraw/zinc/98/54/41/390985441.db2.gz YWBXNAAVEBOUJJ-GASCZTMLSA-N 2 0 297.406 1.699 10 0 CDAERP C[C@H]1C[NH2+]C[C@H](NCCC[NH2+]Cc2cccnc2)C1 ZINC000647546593 390989886 /nfs/dbraw/zinc/98/98/86/390989886.db2.gz QYKLFLLTSCTERY-UKRRQHHQSA-N 2 0 262.401 1.149 10 0 CDAERP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[NH2+]C23CCCC3)CC[NH2+]1 ZINC000647553483 391000597 /nfs/dbraw/zinc/00/05/97/391000597.db2.gz BDBLNSRAZHCQHC-MGPQQGTHSA-N 3 0 251.418 1.639 10 0 CDAERP CCC[NH+]1CCC(NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)CC1 ZINC000417754016 391032342 /nfs/dbraw/zinc/03/23/42/391032342.db2.gz VDIISECFOWHSMI-OAHLLOKOSA-N 2 0 294.443 1.397 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)NC[C@@H]([NH3+])c2ccccc2)CC[N@@H+]1C ZINC000417759599 391047973 /nfs/dbraw/zinc/04/79/73/391047973.db2.gz WKFIAKBIKCWYFY-BPLDGKMQSA-N 2 0 290.411 1.468 10 0 CDAERP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC1CCC(F)CC1 ZINC000647804016 391067026 /nfs/dbraw/zinc/06/70/26/391067026.db2.gz HURLLHIGWIJNEN-MGYRSQIZSA-N 2 0 258.381 1.857 10 0 CDAERP COC(=O)C1CCC([NH2+]C[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000192440045 391075469 /nfs/dbraw/zinc/07/54/69/391075469.db2.gz HIEIJYPVDVBELZ-NRXISQOPSA-N 2 0 298.427 1.155 10 0 CDAERP CC(C)[C@H](C)NC(=O)C1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000647883366 391141076 /nfs/dbraw/zinc/14/10/76/391141076.db2.gz JWUFBGFGAGYAGB-UONOGXRCSA-N 2 0 281.444 1.469 10 0 CDAERP C[C@@H]1CN(C(=O)CC[C@@H]2CCCC[NH+]2C)[C@@H](C)C[N@@H+]1C ZINC000355707293 391110086 /nfs/dbraw/zinc/11/00/86/391110086.db2.gz FEOPDZRQYFMHDP-ILXRZTDVSA-N 2 0 281.444 1.802 10 0 CDAERP C[C@@H]1C[NH+](CCCC[NH2+]CC2(F)CC2)C[C@@H](C)O1 ZINC000527031568 391252815 /nfs/dbraw/zinc/25/28/15/391252815.db2.gz HNIKWUSERQCYOW-CHWSQXEVSA-N 2 0 258.381 1.968 10 0 CDAERP CN1CCN(C(=O)C[N@H+](C)C2(C)CCCC2)CC1 ZINC000334141642 391254949 /nfs/dbraw/zinc/25/49/49/391254949.db2.gz IMIGLICWUQZLKE-UHFFFAOYSA-N 2 0 253.390 1.025 10 0 CDAERP C[C@H](CN1CCOCC1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647903730 391202540 /nfs/dbraw/zinc/20/25/40/391202540.db2.gz OVPCNKYPJIPIIT-PMPSAXMXSA-N 2 0 281.444 1.171 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000417220536 391345962 /nfs/dbraw/zinc/34/59/62/391345962.db2.gz YOLUAVNFRQFJJS-YXWQFLTLSA-N 2 0 296.459 1.628 10 0 CDAERP Cn1cncc1CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000459334348 391366933 /nfs/dbraw/zinc/36/69/33/391366933.db2.gz DQJWATSPHGDLTR-OAHLLOKOSA-N 2 0 276.428 1.770 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000418056553 391372586 /nfs/dbraw/zinc/37/25/86/391372586.db2.gz KJQUFHOFTPYMQY-STQMWFEESA-N 2 0 292.427 1.326 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000054133520 391395652 /nfs/dbraw/zinc/39/56/52/391395652.db2.gz NDHIYOOSMOJLDI-IHRRRGAJSA-N 2 0 267.417 1.364 10 0 CDAERP CS[C@@H]1CC[C@@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000425350994 391475454 /nfs/dbraw/zinc/47/54/54/391475454.db2.gz LVOHNWHAPWZPLW-QWHCGFSZSA-N 2 0 257.447 1.108 10 0 CDAERP C[C@H]1CN(C)C[C@@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000357354085 391511314 /nfs/dbraw/zinc/51/13/14/391511314.db2.gz MHNQCBLZHHTESE-YOEHRIQHSA-N 2 0 288.439 1.838 10 0 CDAERP C[C@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)[N@H+](C)C1CC1 ZINC000417552231 391653616 /nfs/dbraw/zinc/65/36/16/391653616.db2.gz QGGMVYFQSRJMMZ-MCIONIFRSA-N 2 0 294.443 1.110 10 0 CDAERP c1nc2c([nH]1)C[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@H]3C1)CC2 ZINC000647798804 391660793 /nfs/dbraw/zinc/66/07/93/391660793.db2.gz XQLJVXDPARLDQE-UMSGYPCISA-N 2 0 260.385 1.245 10 0 CDAERP c1nc2c([nH]1)C[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@@H]3C1)CC2 ZINC000647798805 391661003 /nfs/dbraw/zinc/66/10/03/391661003.db2.gz XQLJVXDPARLDQE-WUHRBBMRSA-N 2 0 260.385 1.245 10 0 CDAERP CN1CC[C@H]([NH2+]C[C@@H]2CC[NH2+]C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000647992510 391700063 /nfs/dbraw/zinc/70/00/63/391700063.db2.gz INLYIGNKWQONBP-RLCCDNCMSA-N 2 0 295.377 1.909 10 0 CDAERP C[C@@H](C[NH3+])NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000417658866 391723411 /nfs/dbraw/zinc/72/34/11/391723411.db2.gz JWNFTLZQJAGPQD-JTQLQIEISA-N 2 0 282.363 1.034 10 0 CDAERP COc1cc(C[NH2+][C@H](C)CCC[NH3+])cc2c1OCCO2 ZINC000415016874 391724211 /nfs/dbraw/zinc/72/42/11/391724211.db2.gz DJVCNXHEXTXFKD-LLVKDONJSA-N 2 0 280.368 1.683 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NCc1cc2c(cc1OC(F)F)OCO2 ZINC000415014767 391724537 /nfs/dbraw/zinc/72/45/37/391724537.db2.gz XKKQFZHXMUAUDQ-YUMQZZPRSA-N 2 0 288.294 1.842 10 0 CDAERP c1ccc(OCCCC[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000415029424 391729417 /nfs/dbraw/zinc/72/94/17/391729417.db2.gz BAJUHXLCVZXUEF-MRXNPFEDSA-N 2 0 278.396 1.814 10 0 CDAERP COc1c(O)cccc1C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415045038 391736100 /nfs/dbraw/zinc/73/61/00/391736100.db2.gz SXMHGILLRILLSE-ZYHUDNBSSA-N 2 0 250.342 1.618 10 0 CDAERP C[NH+]1CCC2(CC1)C[N@H+](CCCCCF)CCO2 ZINC000646106703 392017114 /nfs/dbraw/zinc/01/71/14/392017114.db2.gz MKVFKRUNHXFMAS-UHFFFAOYSA-N 2 0 258.381 1.923 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[NH2+]CCC2(F)F)CC[N@@H+]1C ZINC000649341058 392069728 /nfs/dbraw/zinc/06/97/28/392069728.db2.gz KABZQCOVVRROFT-UTUOFQBUSA-N 2 0 289.370 1.172 10 0 CDAERP CCC[C@@](C)([NH3+])C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000262589397 392046363 /nfs/dbraw/zinc/04/63/63/392046363.db2.gz UHWCJNLQOBJBTO-UKRRQHHQSA-N 2 0 269.433 1.741 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000648893779 392157698 /nfs/dbraw/zinc/15/76/98/392157698.db2.gz ANUQIEZCONSGRV-GDBMZVCRSA-N 2 0 293.455 1.994 10 0 CDAERP CCOC(=O)c1csc(CC[NH2+][C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000423072116 392316906 /nfs/dbraw/zinc/31/69/06/392316906.db2.gz PEFOCERBYLUFKW-WDEREUQCSA-N 2 0 297.424 1.579 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](CO)Cc1ccccc1C ZINC000423053880 392303360 /nfs/dbraw/zinc/30/33/60/392303360.db2.gz BENOFSWTVQQNKR-JKSUJKDBSA-N 2 0 280.412 1.242 10 0 CDAERP CC[NH+](CC)[C@H](C)CN[C@H](C)C[C@H]1COCC[NH2+]1 ZINC000423084958 392331329 /nfs/dbraw/zinc/33/13/29/392331329.db2.gz JEWMUTVDIFDIIA-MCIONIFRSA-N 2 0 257.422 1.073 10 0 CDAERP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000246624414 131095676 /nfs/dbraw/zinc/09/56/76/131095676.db2.gz CCELZASNKHJHNI-CVEARBPZSA-N 2 0 289.423 1.227 10 0 CDAERP CS[C@H]1CN(C(=O)c2ccc(C[NH3+])cc2)C[C@@H]1[NH+](C)C ZINC000262303850 131209715 /nfs/dbraw/zinc/20/97/15/131209715.db2.gz OFTQVVOAKKDEGE-KBPBESRZSA-N 2 0 293.436 1.263 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CC1(COC)CCCCC1 ZINC000423137140 392375758 /nfs/dbraw/zinc/37/57/58/392375758.db2.gz HUAAZKUMFDJLMJ-CQSZACIVSA-N 2 0 272.433 1.927 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)c1cc(OC)ccc1OC ZINC000629528619 392384704 /nfs/dbraw/zinc/38/47/04/392384704.db2.gz FDVGPEGRMXLNLO-GFCCVEGCSA-N 2 0 282.384 1.590 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)N[C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423140033 392379022 /nfs/dbraw/zinc/37/90/22/392379022.db2.gz MAWNXQGSPSWOMU-FVQBIDKESA-N 2 0 283.460 1.463 10 0 CDAERP O=C([C@H]1C[NH2+]Cc2ccccc21)N1CC[NH+]2CCC1CC2 ZINC000646451358 392456037 /nfs/dbraw/zinc/45/60/37/392456037.db2.gz AZVIAJNMEDTCTJ-INIZCTEOSA-N 2 0 285.391 1.180 10 0 CDAERP C([NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1)[C@@H]1CCC[NH2+]1 ZINC000423234153 392459994 /nfs/dbraw/zinc/45/99/94/392459994.db2.gz LDCXSBDYHDOFLZ-ZQDZILKHSA-N 2 0 252.402 1.923 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CC1(COC)CCCC1 ZINC000423158247 392398102 /nfs/dbraw/zinc/39/81/02/392398102.db2.gz CQBRRWWBPJAVDS-ZDUSSCGKSA-N 2 0 258.406 1.537 10 0 CDAERP CC(C)[C@@H](Cn1cccn1)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423274901 392482103 /nfs/dbraw/zinc/48/21/03/392482103.db2.gz MMEJLDQHYMLFHP-HUUCEWRRSA-N 2 0 264.417 1.887 10 0 CDAERP C[C@H](C[C@@H]1COCCN1)[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000423292914 392490386 /nfs/dbraw/zinc/49/03/86/392490386.db2.gz OYJJOXIYTLHETH-DVOMOZLQSA-N 2 0 277.412 1.563 10 0 CDAERP C[C@@H]1CSC[C@@H]1[NH2+]CCCC[NH+]1CCOCC1 ZINC000449084178 392634327 /nfs/dbraw/zinc/63/43/27/392634327.db2.gz WQHDXYOPNPQTSX-OLZOCXBDSA-N 2 0 258.431 1.440 10 0 CDAERP COC[C@H](C)C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000527116606 392723095 /nfs/dbraw/zinc/72/30/95/392723095.db2.gz KSQIPYVYJVRLFK-HIFRSBDPSA-N 2 0 254.418 1.933 10 0 CDAERP CC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)[C@H](O)C(F)F ZINC000449421893 392774836 /nfs/dbraw/zinc/77/48/36/392774836.db2.gz JWCGLVCSPLMXQD-RYUDHWBXSA-N 2 0 264.360 1.853 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCC1(CO)CC1 ZINC000449581043 392795473 /nfs/dbraw/zinc/79/54/73/392795473.db2.gz WPECIOSSPFKUON-UHFFFAOYSA-N 2 0 286.379 1.828 10 0 CDAERP COC[C@H](C)C[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000131890465 393079352 /nfs/dbraw/zinc/07/93/52/393079352.db2.gz CMNLBVPKKIEYRG-HUUCEWRRSA-N 2 0 271.449 1.131 10 0 CDAERP CC(C)C[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@H]1C)C(=O)NCC[NH+](C)C ZINC000451150103 393124640 /nfs/dbraw/zinc/12/46/40/393124640.db2.gz RQJNGAMIOUZVKK-BARDWOONSA-N 2 0 299.459 1.234 10 0 CDAERP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)C(C)(C)C(F)F ZINC000657873012 413065899 /nfs/dbraw/zinc/06/58/99/413065899.db2.gz QTNXYUJNCTUVGA-NWDGAFQWSA-N 2 0 277.403 1.892 10 0 CDAERP [NH3+][C@@H](CC(=O)N(C[C@H]1CCC[NH2+]1)C1CC1)c1ccccc1 ZINC000186562155 140063461 /nfs/dbraw/zinc/06/34/61/140063461.db2.gz PQSMVVINXKSGJB-ZBFHGGJFSA-N 2 0 287.407 1.820 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000192101137 140139950 /nfs/dbraw/zinc/13/99/50/140139950.db2.gz MTLOKGKBVHOPKE-NWDGAFQWSA-N 2 0 255.406 1.208 10 0 CDAERP COCCN(C)CC[NH2+]Cc1cc(OC)cc(C)n1 ZINC000214049717 140161268 /nfs/dbraw/zinc/16/12/68/140161268.db2.gz GQEYJSMRJLHIQK-UHFFFAOYSA-N 2 0 267.373 1.066 10 0 CDAERP CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1ccc(C[NH3+])cc1 ZINC000236774648 140245477 /nfs/dbraw/zinc/24/54/77/140245477.db2.gz CZGGGXRJVKCYDG-AWEZNQCLSA-N 2 0 263.385 1.591 10 0 CDAERP CC[NH2+][C@H](C)CNC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000417531959 285618273 /nfs/dbraw/zinc/61/82/73/285618273.db2.gz KCRYHPPRKNZTKU-MGPQQGTHSA-N 2 0 284.448 1.547 10 0 CDAERP CN(Cc1noc(CN)n1)C1CCC(C)(C)CC1 ZINC000261551723 140345706 /nfs/dbraw/zinc/34/57/06/140345706.db2.gz WSSZZPSGKDRJNW-UHFFFAOYSA-N 2 0 252.362 1.929 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000261666183 140371876 /nfs/dbraw/zinc/37/18/76/140371876.db2.gz FONMRNNZBMCJFY-BZUAXINKSA-N 2 0 293.455 1.838 10 0 CDAERP Cc1nsc(N2CCCN(C[C@]3(C)CC[NH2+]C3)CC2)n1 ZINC000261729269 140381790 /nfs/dbraw/zinc/38/17/90/140381790.db2.gz GYRUQOUUYDOGLR-CQSZACIVSA-N 2 0 295.456 1.358 10 0 CDAERP C[NH+](C)CCCNC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662522752 413091700 /nfs/dbraw/zinc/09/17/00/413091700.db2.gz CZRXPMJKBDYDPI-AWEZNQCLSA-N 2 0 261.369 1.289 10 0 CDAERP CCN(C(=O)N[C@@H]1CC[NH+](C)[C@H](C)C1)[C@H]1CC[N@H+](CC)C1 ZINC000664218187 413154295 /nfs/dbraw/zinc/15/42/95/413154295.db2.gz NQJCEAQSFXTRPZ-KFWWJZLASA-N 2 0 296.459 1.595 10 0 CDAERP CC[NH+]1CCC(NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000658054746 413157755 /nfs/dbraw/zinc/15/77/55/413157755.db2.gz IBOSKJDLWRURDV-CQSZACIVSA-N 2 0 253.434 1.933 10 0 CDAERP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2CSC2)CC1 ZINC000679625991 483396158 /nfs/dbraw/zinc/39/61/58/483396158.db2.gz KIZQIFIZDFKFFE-ZIAGYGMSSA-N 2 0 270.442 1.459 10 0 CDAERP CO[C@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)[C@@H]1CCOC1 ZINC000658070889 413170144 /nfs/dbraw/zinc/17/01/44/413170144.db2.gz AMCDWHOUVSIFMF-GDBMZVCRSA-N 2 0 282.428 1.502 10 0 CDAERP CCC[NH+]1CCC([NH2+]C[C@H](OC)[C@@H]2CCOC2)CC1 ZINC000658071257 413171422 /nfs/dbraw/zinc/17/14/22/413171422.db2.gz DDMBDVCINQOBQG-HIFRSBDPSA-N 2 0 270.417 1.502 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000651194334 397870737 /nfs/dbraw/zinc/87/07/37/397870737.db2.gz DCRNNWBYJGDNSM-HNNXBMFYSA-N 2 0 298.475 1.557 10 0 CDAERP CC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@H]1CCCOC1 ZINC000649760388 397942253 /nfs/dbraw/zinc/94/22/53/397942253.db2.gz OUCVCYBRQMGZLH-HNNXBMFYSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000390789463 397981318 /nfs/dbraw/zinc/98/13/18/397981318.db2.gz VKQPHXKUYPHMND-HOCLYGCPSA-N 2 0 291.439 1.997 10 0 CDAERP Cc1c(C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cnn1C ZINC000093650147 147062154 /nfs/dbraw/zinc/06/21/54/147062154.db2.gz YHTYASZGLNRRJG-INIZCTEOSA-N 2 0 293.459 1.090 10 0 CDAERP CC[C@H](F)C[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001663996489 1172799243 /nfs/dbraw/zinc/79/92/43/1172799243.db2.gz WJKQPGGZJCSIDG-STQMWFEESA-N 2 0 275.412 1.369 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC[NH2+]1 ZINC000662621984 413210484 /nfs/dbraw/zinc/21/04/84/413210484.db2.gz NNRHAXSJYOSRJI-AVGNSLFASA-N 2 0 267.417 1.364 10 0 CDAERP C[N@H+](CCO[C@@H]1CC1(F)F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000660540657 413218529 /nfs/dbraw/zinc/21/85/29/413218529.db2.gz FAWJBFYCGFFCQH-ZGVCCVRISA-N 2 0 274.355 1.968 10 0 CDAERP CCOC[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658137074 413228033 /nfs/dbraw/zinc/22/80/33/413228033.db2.gz GJSKNNALFABGMJ-YOEHRIQHSA-N 2 0 292.423 1.768 10 0 CDAERP [NH3+]Cc1ccc(-c2noc(CC3CC[NH2+]CC3)n2)cc1 ZINC000262111016 149019797 /nfs/dbraw/zinc/01/97/97/149019797.db2.gz WLRWIUBOFXAJSA-UHFFFAOYSA-N 2 0 272.352 1.737 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)N2CCC[C@@H]([NH3+])C2)cc1 ZINC000335196670 150394992 /nfs/dbraw/zinc/39/49/92/150394992.db2.gz RCUSSSCYHQRESZ-SMDDNHRTSA-N 2 0 276.384 1.339 10 0 CDAERP CCC1(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)CCOCC1 ZINC000335883904 151080960 /nfs/dbraw/zinc/08/09/60/151080960.db2.gz PJWFSLUHICICBU-KGLIPLIRSA-N 2 0 252.402 1.877 10 0 CDAERP COCC[N@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346146863 153070772 /nfs/dbraw/zinc/07/07/72/153070772.db2.gz IVKJDXYNZLDFQL-UHFFFAOYSA-N 2 0 260.341 1.654 10 0 CDAERP CC(C)N(C)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867589780 784366458 /nfs/dbraw/zinc/36/64/58/784366458.db2.gz JRTRQDKOKFSXMA-ZIAGYGMSSA-N 2 0 284.448 1.118 10 0 CDAERP C[C@H]1CCC[N@H+](CCNC(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662681264 413304493 /nfs/dbraw/zinc/30/44/93/413304493.db2.gz XWAIHAGUMIITKR-ZDUSSCGKSA-N 2 0 279.428 1.509 10 0 CDAERP [NH3+][C@H](Cc1cn([C@H]2CCC[NH2+]C2)nn1)c1ccccc1 ZINC000656466993 413321246 /nfs/dbraw/zinc/32/12/46/413321246.db2.gz IMMHETDLBDJCIJ-LSDHHAIUSA-N 2 0 271.368 1.445 10 0 CDAERP COc1c[nH+]ccc1N1CC[NH+](C[C@@H]2C[C@@H]2C)CC1 ZINC000355655457 157169509 /nfs/dbraw/zinc/16/95/09/157169509.db2.gz TWMLISNLISVYIS-STQMWFEESA-N 2 0 261.369 1.868 10 0 CDAERP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[N@H+](CCOC)CC1 ZINC000355750660 157216081 /nfs/dbraw/zinc/21/60/81/157216081.db2.gz VQMWNAHCRUJXJJ-CQSZACIVSA-N 2 0 299.459 1.334 10 0 CDAERP CCN(C(=O)N[C@@H]1C[NH+](C2CC2)C[C@H]1C)[C@H]1CC[N@H+](C)C1 ZINC000664407000 413356260 /nfs/dbraw/zinc/35/62/60/413356260.db2.gz VTBNVTIBLRXAMT-VHDGCEQUSA-N 2 0 294.443 1.205 10 0 CDAERP CN(CC1C[NH+](C)C1)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000660677622 413365241 /nfs/dbraw/zinc/36/52/41/413365241.db2.gz NHXAOECWBVYCTJ-CQSZACIVSA-N 2 0 298.475 1.556 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000359776921 158372272 /nfs/dbraw/zinc/37/22/72/158372272.db2.gz CTTLXTYWXYWHGJ-KKUMJFAQSA-N 2 0 283.460 1.953 10 0 CDAERP [NH3+][C@H](CCC(=O)NCC12CC(C1)C[NH2+]2)c1ccccc1 ZINC000662719007 413374694 /nfs/dbraw/zinc/37/46/94/413374694.db2.gz UQBKBDRTIOKJEW-CXOJTPOUSA-N 2 0 273.380 1.335 10 0 CDAERP [NH3+]C1(CC(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000662730052 413391812 /nfs/dbraw/zinc/39/18/12/413391812.db2.gz ZQCWDUUZQMZHCF-UHFFFAOYSA-N 2 0 267.417 1.640 10 0 CDAERP COC[C@@H](O)C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000374876166 160323013 /nfs/dbraw/zinc/32/30/13/160323013.db2.gz NISIRPIXFOPCPM-UAGQMJEPSA-N 2 0 292.423 1.494 10 0 CDAERP C[C@@H](NC(=O)CC1([NH3+])CC1)C1([NH+]2CCOCC2)CCCC1 ZINC000662745745 413420482 /nfs/dbraw/zinc/42/04/82/413420482.db2.gz LDMHXKJDOLLUKG-CYBMUJFWSA-N 2 0 295.427 1.018 10 0 CDAERP Cc1nnc(CCN(C)C[C@H]2CCC[N@H+](C)C2)o1 ZINC000929699151 784373936 /nfs/dbraw/zinc/37/39/36/784373936.db2.gz GUCUYAFKHGVCKQ-LBPRGKRZSA-N 2 0 252.362 1.194 10 0 CDAERP CC1(C)C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCS1 ZINC000662255897 411634005 /nfs/dbraw/zinc/63/40/05/411634005.db2.gz SFASMQCPIRJOLR-NSHDSACASA-N 2 0 256.415 1.335 10 0 CDAERP C([C@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000662255084 411634082 /nfs/dbraw/zinc/63/40/82/411634082.db2.gz CQKAQELHXITKCC-CABCVRRESA-N 2 0 280.412 1.400 10 0 CDAERP Cc1ccc([C@H](C[NH3+])N(C)C2CC[NH+](C)CC2)o1 ZINC000019260459 170761851 /nfs/dbraw/zinc/76/18/51/170761851.db2.gz RVJYZRSQSYKKLN-ZDUSSCGKSA-N 2 0 251.374 1.614 10 0 CDAERP CCN(CC)[C@]1(C[NH3+])CC[N@H+](Cc2ccccc2)C1 ZINC000020596059 171265149 /nfs/dbraw/zinc/26/51/49/171265149.db2.gz AJCQLQLYKYEVTN-INIZCTEOSA-N 2 0 261.413 1.932 10 0 CDAERP CN([C@@H](C[NH3+])c1c(F)cccc1F)C1CC[NH+](C)CC1 ZINC000022163804 171365195 /nfs/dbraw/zinc/36/51/95/171365195.db2.gz VPMUSTVZOHHBSA-AWEZNQCLSA-N 2 0 283.366 1.991 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)C[NH+]1CCC(C)CC1 ZINC000653214546 412144079 /nfs/dbraw/zinc/14/40/79/412144079.db2.gz ZXLANJLUVHFQCW-UHFFFAOYSA-N 2 0 289.423 1.754 10 0 CDAERP CC[NH+]1CCN(c2nc3sccn3c2C[NH2+]C)CC1 ZINC000035429948 172197838 /nfs/dbraw/zinc/19/78/38/172197838.db2.gz AIBFFCQWWIUDIK-UHFFFAOYSA-N 2 0 279.413 1.257 10 0 CDAERP O[C@H](C[NH2+]CCc1ccnc2ccccc12)C[NH+]1CCCC1 ZINC000656706005 413579274 /nfs/dbraw/zinc/57/92/74/413579274.db2.gz MUAIPEWJRMVERH-MRXNPFEDSA-N 2 0 299.418 1.824 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CNCC1([NH3+])CCCC1 ZINC000656789701 413667887 /nfs/dbraw/zinc/66/78/87/413667887.db2.gz VXLALXXTIMHPLP-UHFFFAOYSA-N 3 0 285.395 1.937 10 0 CDAERP c1cc([C@@H]2C[NH2+]CCO2)ccc1N[C@@H]1CCC[NH2+]C1 ZINC000656791715 413673546 /nfs/dbraw/zinc/67/35/46/413673546.db2.gz GRFSIOLIJRMWFO-CABCVRRESA-N 2 0 261.369 1.511 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000662924658 413707351 /nfs/dbraw/zinc/70/73/51/413707351.db2.gz FUJADXXEFLDUAW-HUUCEWRRSA-N 2 0 275.396 1.191 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000662925385 413708130 /nfs/dbraw/zinc/70/81/30/413708130.db2.gz PQAWRPBSSHNWQG-OLZOCXBDSA-N 2 0 283.803 1.829 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000422853776 287271404 /nfs/dbraw/zinc/27/14/04/287271404.db2.gz CGQLSMFRUCITAQ-KFWWJZLASA-N 2 0 253.434 1.839 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659471768 413862997 /nfs/dbraw/zinc/86/29/97/413862997.db2.gz GPIUEHHVRRPUEY-UHFFFAOYSA-N 2 0 296.459 1.678 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](Cn2ccnn2)C1 ZINC000661149849 413836695 /nfs/dbraw/zinc/83/66/95/413836695.db2.gz YBRSLTJGFSLFJK-GJZGRUSLSA-N 2 0 277.416 1.474 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCc1noc2ccccc12 ZINC000665232418 413957079 /nfs/dbraw/zinc/95/70/79/413957079.db2.gz MNILRADPDYZAQY-FPMFFAJLSA-N 2 0 289.379 1.712 10 0 CDAERP COc1ccc(C[C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)cn1 ZINC000665282098 414021084 /nfs/dbraw/zinc/02/10/84/414021084.db2.gz QPRHJKXWKZRBEE-GXTWGEPZSA-N 2 0 265.401 1.984 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000659621331 414033763 /nfs/dbraw/zinc/03/37/63/414033763.db2.gz YYXSOVXXNWRPNB-IZGVIRRGSA-N 2 0 296.459 1.626 10 0 CDAERP c1cc(C[NH2+]CCCC[NH+]2CCOCC2)n(CC2CC2)n1 ZINC000657314189 414157193 /nfs/dbraw/zinc/15/71/93/414157193.db2.gz XNVXJBLIRJQFNX-UHFFFAOYSA-N 2 0 292.427 1.495 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cnnn2-c2ccccc2)C1 ZINC000655824735 414230418 /nfs/dbraw/zinc/23/04/18/414230418.db2.gz OCOTWYDVNWLUDQ-OTVXOJSOSA-N 2 0 285.395 1.697 10 0 CDAERP COCC1(C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)CC1 ZINC000655816149 414219106 /nfs/dbraw/zinc/21/91/06/414219106.db2.gz POSOEKYSWHORDE-OAHLLOKOSA-N 2 0 282.428 1.646 10 0 CDAERP C[C@H](C[C@H](C)O)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657431971 414316341 /nfs/dbraw/zinc/31/63/41/414316341.db2.gz LUESXRCPDUVLBV-NEPJUHHUSA-N 2 0 260.341 1.516 10 0 CDAERP COc1ccccc1[C@@H]1C[NH2+]CCN1C[C@]12C[C@H]1C[NH2+]C2 ZINC000663492689 414289093 /nfs/dbraw/zinc/28/90/93/414289093.db2.gz BEEAOGOPKOUDDO-JLJPHGGASA-N 2 0 287.407 1.251 10 0 CDAERP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000661776066 414359943 /nfs/dbraw/zinc/35/99/43/414359943.db2.gz XPBLVZKFKDQISK-OAGGEKHMSA-N 2 0 294.443 1.034 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000314985906 414393373 /nfs/dbraw/zinc/39/33/73/414393373.db2.gz YFPGVXLJYXUEQF-HZMVEIRTSA-N 2 0 298.471 1.703 10 0 CDAERP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](OC)[C@@H]2CCOC2)C1 ZINC000659989190 414330579 /nfs/dbraw/zinc/33/05/79/414330579.db2.gz FEJZJUAJXMHFIU-ZNMIVQPWSA-N 2 0 270.417 1.312 10 0 CDAERP CC(C)n1ccnc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000657505119 414406469 /nfs/dbraw/zinc/40/64/69/414406469.db2.gz UUJZIEYBDOCFJJ-BETUJISGSA-N 2 0 250.390 1.894 10 0 CDAERP COC[C@H](CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)OC ZINC000657552150 414436310 /nfs/dbraw/zinc/43/63/10/414436310.db2.gz BDIGGTYNWQYHNR-RDBSUJKOSA-N 2 0 256.390 1.254 10 0 CDAERP O=C(NC1CC1)[C@@H]1CCC[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662251553 414585295 /nfs/dbraw/zinc/58/52/95/414585295.db2.gz GXVUITZVNCOIRJ-KRWDZBQOSA-N 2 0 299.418 1.575 10 0 CDAERP C(C1CCCCC1)[N@H+]1CCCN(C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662260496 414594453 /nfs/dbraw/zinc/59/44/53/414594453.db2.gz NIUQUWRQBXYOPV-KRWDZBQOSA-N 2 0 295.471 1.563 10 0 CDAERP CC(C)[C@@H]1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCS1 ZINC000662259233 414594535 /nfs/dbraw/zinc/59/45/35/414594535.db2.gz SPZIJZMTWCTJND-OLZOCXBDSA-N 2 0 270.442 1.581 10 0 CDAERP C(C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)OC[C@H]1CCCO1 ZINC000662297225 414621414 /nfs/dbraw/zinc/62/14/14/414621414.db2.gz OPLCYXXXJHBFEE-IAGOWNOFSA-N 2 0 296.455 1.894 10 0 CDAERP O=C([C@@H]1CCC[N@@H+]1CC1CCCCC1)N1CC[NH2+]CC1 ZINC000040508098 174303102 /nfs/dbraw/zinc/30/31/02/174303102.db2.gz VQNJAXVORUEKSC-HNNXBMFYSA-N 2 0 279.428 1.463 10 0 CDAERP CC(C)C[N@H+](CCC1CC[NH2+]CC1)CCN(C)C ZINC000042767993 174869901 /nfs/dbraw/zinc/86/99/01/174869901.db2.gz PUTIRTDRNLKMDR-UHFFFAOYSA-N 2 0 255.450 1.896 10 0 CDAERP CC[C@@H]([NH3+])[C@H](c1ccccn1)N1CC[NH+](CC)CC1 ZINC000043338845 175013435 /nfs/dbraw/zinc/01/34/35/175013435.db2.gz XKFOSMZHFGLAFX-UKRRQHHQSA-N 2 0 262.401 1.498 10 0 CDAERP CC(C)[NH+]1CCC(C[NH3+])(N2CCO[C@H]3CCCC[C@@H]32)CC1 ZINC000043424928 175039733 /nfs/dbraw/zinc/03/97/33/175039733.db2.gz DNYRQPHPLIYHKO-HOTGVXAUSA-N 2 0 295.471 1.832 10 0 CDAERP COc1ccccc1C[N@@H+]1CCCN(CCC[NH3+])CC1 ZINC000043457208 175050054 /nfs/dbraw/zinc/05/00/54/175050054.db2.gz BWEJKFFBCNSOER-UHFFFAOYSA-N 2 0 277.412 1.552 10 0 CDAERP CC[NH+]1CCN(C[C@H]([NH2+]C)c2ccc(C)cc2)CC1 ZINC000043805709 175107897 /nfs/dbraw/zinc/10/78/97/175107897.db2.gz RSZKZEGJSHMIQA-INIZCTEOSA-N 2 0 261.413 1.893 10 0 CDAERP CC[NH+]1CCN([C@@H](C)[C@H]([NH2+]C)c2ccc(OC)cc2)CC1 ZINC000043805839 175108454 /nfs/dbraw/zinc/10/84/54/175108454.db2.gz FIYSMHWYCGEZHU-YOEHRIQHSA-N 2 0 291.439 1.982 10 0 CDAERP C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000043810449 175109313 /nfs/dbraw/zinc/10/93/13/175109313.db2.gz QYCVPNKLAMABSN-HNNXBMFYSA-N 2 0 263.385 1.203 10 0 CDAERP CC[NH2+][C@H](c1ccccc1)[C@@H](C)N1CC[NH+](C)CC1 ZINC000043810689 175109553 /nfs/dbraw/zinc/10/95/53/175109553.db2.gz UAKYFJMKESXRJR-ZBFHGGJFSA-N 2 0 261.413 1.973 10 0 CDAERP CC[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000043810755 175110256 /nfs/dbraw/zinc/11/02/56/175110256.db2.gz ULNMLBSTGCGAGY-MRXNPFEDSA-N 2 0 277.412 1.593 10 0 CDAERP Cc1nc(C)c([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)c(=O)[nH]1 ZINC000044516931 175190521 /nfs/dbraw/zinc/19/05/21/175190521.db2.gz UILBFVSOKQPCQT-SNVBAGLBSA-N 2 0 278.400 1.379 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CNC(=O)C1CCC([NH3+])CC1 ZINC000044564436 175207402 /nfs/dbraw/zinc/20/74/02/175207402.db2.gz JIBZAKGUMMWGEW-WXRRBKDZSA-N 2 0 253.390 1.104 10 0 CDAERP CCC[NH2+]CC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000044646683 175223122 /nfs/dbraw/zinc/22/31/22/175223122.db2.gz SLHNURCFHZYQLU-ZDUSSCGKSA-N 2 0 255.406 1.367 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH3+])CCCCCC2)C1 ZINC000044763656 175247463 /nfs/dbraw/zinc/24/74/63/175247463.db2.gz WRODNGSRGMQWGV-CQSZACIVSA-N 2 0 281.444 1.886 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)C1(C[NH3+])CCCCC1 ZINC000044763816 175247718 /nfs/dbraw/zinc/24/77/18/175247718.db2.gz TXAAZBGRRUEGNA-AWEZNQCLSA-N 2 0 283.460 1.988 10 0 CDAERP CCC[NH2+][C@H]1CCN(C[C@@H]2CC[N@@H+](C(C)C)C2)C1=O ZINC000045135369 175312304 /nfs/dbraw/zinc/31/23/04/175312304.db2.gz TYFXDPMOWMZFEO-KGLIPLIRSA-N 2 0 267.417 1.317 10 0 CDAERP COC(=O)[C@@](C)([NH3+])CCC[N@H+](C)CCc1ccccn1 ZINC000045371980 175364123 /nfs/dbraw/zinc/36/41/23/175364123.db2.gz DFYKUJKYBIGIBA-HNNXBMFYSA-N 2 0 279.384 1.227 10 0 CDAERP CC[NH2+][C@@](C)(CCCC[N@H+](C)[C@@H](C)C1CC1)C(N)=O ZINC000045392876 175375458 /nfs/dbraw/zinc/37/54/58/175375458.db2.gz HVAWRKWPIZIYMU-WFASDCNBSA-N 2 0 269.433 1.741 10 0 CDAERP CC(C)[NH2+][C@H]1CCCN(C[C@@H](C)C[NH+]2CCCC2)C1=O ZINC000071031250 176022497 /nfs/dbraw/zinc/02/24/97/176022497.db2.gz DBGCVUFTAQXBGC-GJZGRUSLSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)N1CC[C@@H]([NH2+]C(C)C)C1=O ZINC000071031974 176023027 /nfs/dbraw/zinc/02/30/27/176023027.db2.gz HXMKIWFYNDTOHZ-ZIAGYGMSSA-N 2 0 269.433 1.562 10 0 CDAERP CC[NH2+][C@H]1CCCN([C@H](CC(C)C)C[NH+](C)C)C1=O ZINC000071032010 176023038 /nfs/dbraw/zinc/02/30/38/176023038.db2.gz MMDVBEIWIHXESX-KGLIPLIRSA-N 2 0 269.433 1.563 10 0 CDAERP CCC[NH2+][C@H]1CCN(CC[NH+]2CCCCC2)C1=O ZINC000071032243 176023173 /nfs/dbraw/zinc/02/31/73/176023173.db2.gz AFGVZSYHAAGAOO-ZDUSSCGKSA-N 2 0 253.390 1.073 10 0 CDAERP CC[NH2+][C@H]1CCCN(CC[NH+](C(C)C)C(C)C)C1=O ZINC000071036170 176025530 /nfs/dbraw/zinc/02/55/30/176025530.db2.gz KHGJMGALTZWDFJ-AWEZNQCLSA-N 2 0 269.433 1.706 10 0 CDAERP CC[C@@H]1CCC[C@@H]([N@H+](C)CCN2CC[NH2+]CC2)C1 ZINC000071126414 176035745 /nfs/dbraw/zinc/03/57/45/176035745.db2.gz WUIOPLIYPBFMMI-HUUCEWRRSA-N 2 0 253.434 1.792 10 0 CDAERP Cc1cc(C)c(C[NH3+])c(N(C)C[C@@H]2CC[N@H+](C)C2)n1 ZINC000071187576 176060541 /nfs/dbraw/zinc/06/05/41/176060541.db2.gz VFTBOGUSWKONOG-CYBMUJFWSA-N 3 0 262.401 1.545 10 0 CDAERP C[NH2+][C@H]1c2ccccc2C[C@H]1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188847 176063663 /nfs/dbraw/zinc/06/36/63/176063663.db2.gz XCQIEBMGSNUYFO-XYPHTWIQSA-N 2 0 273.424 1.755 10 0 CDAERP CCC[NH2+]C[C@H](C(C)C)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192021 176071319 /nfs/dbraw/zinc/07/13/19/176071319.db2.gz YXYQFQCHSDRBLP-HUUCEWRRSA-N 2 0 255.450 1.894 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192002 176071522 /nfs/dbraw/zinc/07/15/22/176071522.db2.gz XUUAURQDZKLDRX-HUUCEWRRSA-N 2 0 255.450 1.752 10 0 CDAERP CC[NH+]1CCC(CN2CC[C@H]([NH2+]C(C)C)C2)CC1 ZINC000071200986 176077693 /nfs/dbraw/zinc/07/76/93/176077693.db2.gz JDGMZGRISNPBFE-HNNXBMFYSA-N 2 0 253.434 1.791 10 0 CDAERP C[N@H+](CCNC[C@@H]1CCC[NH+](C)C1)C1CCCC1 ZINC000071377083 176142107 /nfs/dbraw/zinc/14/21/07/176142107.db2.gz VWGVDQGLNNWFEX-AWEZNQCLSA-N 2 0 253.434 1.792 10 0 CDAERP C[C@H]1CCC[C@@H](C(=O)NCC[N@H+](C)C2CCCC2)[C@@H]1[NH3+] ZINC000071380146 176144580 /nfs/dbraw/zinc/14/45/80/176144580.db2.gz QMAQFLDVPQYKHE-NWANDNLSSA-N 2 0 281.444 1.741 10 0 CDAERP C[NH2+]Cc1ccoc1C[NH+]1CCC(COC)CC1 ZINC000078439164 177341649 /nfs/dbraw/zinc/34/16/49/177341649.db2.gz CZKHNOUYILDOKV-UHFFFAOYSA-N 2 0 252.358 1.857 10 0 CDAERP COC[C@H](C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1)OC ZINC000662282955 423880688 /nfs/dbraw/zinc/88/06/88/423880688.db2.gz FLRYCRYAFDDAPI-LXTVHRRPSA-N 2 0 286.416 1.009 10 0 CDAERP CC(C)C[N@H+](C)CCC[NH2+]C1CCN(C(N)=O)CC1 ZINC000651865885 423828042 /nfs/dbraw/zinc/82/80/42/423828042.db2.gz LHKLNMBGVTUJGU-UHFFFAOYSA-N 2 0 270.421 1.097 10 0 CDAERP COc1ccccc1C1([NH2+]C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662285574 423910539 /nfs/dbraw/zinc/91/05/39/423910539.db2.gz LNXCBOOZHJKLTF-ZDUSSCGKSA-N 2 0 288.391 1.795 10 0 CDAERP C[NH+](C)Cc1cccc(C(=O)N[C@H](C[NH3+])C(F)(F)F)c1 ZINC000655513818 423976361 /nfs/dbraw/zinc/97/63/61/423976361.db2.gz FMJLPVZXKKBZPZ-LLVKDONJSA-N 2 0 289.301 1.368 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000652215499 424068375 /nfs/dbraw/zinc/06/83/75/424068375.db2.gz RZICQHBNOLAGSK-AWEZNQCLSA-N 2 0 284.448 1.406 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000652216998 424073242 /nfs/dbraw/zinc/07/32/42/424073242.db2.gz LPRARTUQNUSLEZ-ZIAGYGMSSA-N 2 0 284.448 1.404 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000652224724 424082949 /nfs/dbraw/zinc/08/29/49/424082949.db2.gz GQDFDOQYRJQQCS-GJZGRUSLSA-N 2 0 296.459 1.358 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000652225362 424087677 /nfs/dbraw/zinc/08/76/77/424087677.db2.gz XFQFTJFHNBJHFP-KGLIPLIRSA-N 2 0 284.448 1.343 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)NC1CCC([NH3+])CC1 ZINC000652206672 424029102 /nfs/dbraw/zinc/02/91/02/424029102.db2.gz OMMPTZGVBKIQGI-UHFFFAOYSA-N 2 0 290.411 1.475 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000662401398 424043104 /nfs/dbraw/zinc/04/31/04/424043104.db2.gz UHOJSPKACORBIW-IJEWVQPXSA-N 2 0 299.459 1.365 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N(CC)[C@@H]1CC[NH+](C)C1 ZINC000664296080 424214848 /nfs/dbraw/zinc/21/48/48/424214848.db2.gz QLAVAKPLOVZXRS-CQSZACIVSA-N 2 0 284.448 1.454 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655611009 424182750 /nfs/dbraw/zinc/18/27/50/424182750.db2.gz QCNKDIFMZJEREC-NXEZZACHSA-N 2 0 281.322 1.257 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653109877 424274237 /nfs/dbraw/zinc/27/42/37/424274237.db2.gz PTGSYQCDBANFLY-KBPBESRZSA-N 2 0 267.417 1.367 10 0 CDAERP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCc2ccccc2[C@H](C)C1 ZINC000652358765 424310528 /nfs/dbraw/zinc/31/05/28/424310528.db2.gz ZBUOWKPMBXGYGO-CZUORRHYSA-N 2 0 262.397 1.619 10 0 CDAERP Cc1c[nH+]ccc1N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000664656089 424315605 /nfs/dbraw/zinc/31/56/05/424315605.db2.gz DOLNOMNFMNVAET-CQSZACIVSA-N 2 0 263.385 1.937 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659602344 424319582 /nfs/dbraw/zinc/31/95/82/424319582.db2.gz HVCZBTUBQPTTGY-GUTXKFCHSA-N 2 0 294.443 1.525 10 0 CDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)CC1([NH3+])CCC1 ZINC000309766684 424375851 /nfs/dbraw/zinc/37/58/51/424375851.db2.gz ZPZMGLXDUKDNPB-CQSZACIVSA-N 2 0 289.423 1.895 10 0 CDAERP C[C@H]1CC[C@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)CS1 ZINC000655686560 424384005 /nfs/dbraw/zinc/38/40/05/424384005.db2.gz KVQFDUQBSPFVPU-KBPBESRZSA-N 2 0 285.501 1.886 10 0 CDAERP CC[C@H]1C[N@H+](C)CCN1C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659619030 424416146 /nfs/dbraw/zinc/41/61/46/424416146.db2.gz LSBLFWXEGUBOAT-QWHCGFSZSA-N 2 0 270.421 1.095 10 0 CDAERP C[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)CS1 ZINC000655698673 424435806 /nfs/dbraw/zinc/43/58/06/424435806.db2.gz SCCJIZKJILTEDH-MGPQQGTHSA-N 2 0 272.458 1.707 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[NH+]3CCCC[C@H]23)CC[N@@H+]1C ZINC000655352059 424488434 /nfs/dbraw/zinc/48/84/34/424488434.db2.gz WDEPKUWOGAWGIB-CAOSSQGBSA-N 2 0 293.455 1.850 10 0 CDAERP CC[NH+](CC)CC(=O)NCCC[N@H+](C)CC(C)C ZINC000652522700 424521998 /nfs/dbraw/zinc/52/19/98/424521998.db2.gz SXIAMAQEJPJGCL-UHFFFAOYSA-N 2 0 257.422 1.422 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+]3CCC2CC3)C1 ZINC000661506630 424458268 /nfs/dbraw/zinc/45/82/68/424458268.db2.gz GQNUGZYWPKYCMR-CYBMUJFWSA-N 2 0 294.443 1.349 10 0 CDAERP CO[C@H](C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])[C@@H]1CCOC1 ZINC000665234606 424467745 /nfs/dbraw/zinc/46/77/45/424467745.db2.gz HCFQJJKDBFIRPF-AAVRWANBSA-N 2 0 256.390 1.288 10 0 CDAERP C[NH+](C)CCC[C@H]1CN(C(=O)C2([NH3+])CCCCC2)CCO1 ZINC000662972947 424579913 /nfs/dbraw/zinc/57/99/13/424579913.db2.gz MXKFDEAIFCNQON-AWEZNQCLSA-N 2 0 297.443 1.217 10 0 CDAERP CCCn1cc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cn1 ZINC000185878836 270259387 /nfs/dbraw/zinc/25/93/87/270259387.db2.gz MNDYPFXVYRJTIH-HNNXBMFYSA-N 2 0 293.459 1.409 10 0 CDAERP C[C@H]1C[NH+](CCCC[NH2+]CC2(F)CC2)C[C@H](C)O1 ZINC000527031569 270660126 /nfs/dbraw/zinc/66/01/26/270660126.db2.gz HNIKWUSERQCYOW-STQMWFEESA-N 2 0 258.381 1.968 10 0 CDAERP CN1C(=O)c2ccccc2[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000530221417 271164108 /nfs/dbraw/zinc/16/41/08/271164108.db2.gz FGLVMSQLQAFCCF-DFBGVHRSSA-N 2 0 273.380 1.530 10 0 CDAERP Cc1n[nH]c(C)c1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530247574 271183362 /nfs/dbraw/zinc/18/33/62/271183362.db2.gz ASPQVNDOKZZZKR-OAHLLOKOSA-N 2 0 292.427 1.617 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001667770942 1173323005 /nfs/dbraw/zinc/32/30/05/1173323005.db2.gz OJNADSLXOXXIME-UONOGXRCSA-N 2 0 269.433 1.610 10 0 CDAERP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000335608799 274305850 /nfs/dbraw/zinc/30/58/50/274305850.db2.gz JNGRMRJABRMEMJ-TZMCWYRMSA-N 2 0 276.428 1.777 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCN2C[C@H]3CC[C@@H](C2)O3)[C@H](C)C1 ZINC000343296536 276224731 /nfs/dbraw/zinc/22/47/31/276224731.db2.gz DOAPVWKKBGVBAC-NCOADZHNSA-N 2 0 295.471 1.512 10 0 CDAERP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)C[C@H]1C ZINC000418605689 276246090 /nfs/dbraw/zinc/24/60/90/276246090.db2.gz YXMIDPVXABQMCY-YIYPIFLZSA-N 2 0 282.432 1.109 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)C(C)C ZINC000358116743 276261143 /nfs/dbraw/zinc/26/11/43/276261143.db2.gz DOBMGPRYLWYYJC-KBPBESRZSA-N 2 0 269.433 1.706 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCn3ccnc3C2)[C@@H]2CCC[C@H]21 ZINC000353669905 277173445 /nfs/dbraw/zinc/17/34/45/277173445.db2.gz KGJBARRJCRBYBF-CBBWQLFWSA-N 2 0 274.412 1.660 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@@H](C3CCC3)C2)CC[NH2+]1 ZINC000415125918 278011797 /nfs/dbraw/zinc/01/17/97/278011797.db2.gz QHHIJSFUGGDKAI-UMVBOHGHSA-N 2 0 252.402 1.875 10 0 CDAERP C[C@H](C[NH2+][C@H]1CC[C@@H]1C1CCC1)N1CC[NH+](C)CC1 ZINC000337990392 278210973 /nfs/dbraw/zinc/21/09/73/278210973.db2.gz SEPFDZHHBWPQFE-BMFZPTHFSA-N 2 0 265.445 1.791 10 0 CDAERP CC(C)C[NH+]1CCC(NC(=O)N[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000416934126 278868510 /nfs/dbraw/zinc/86/85/10/278868510.db2.gz DBZHLMQOPOWTQN-RYUDHWBXSA-N 2 0 270.421 1.142 10 0 CDAERP CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000416942719 278868887 /nfs/dbraw/zinc/86/88/87/278868887.db2.gz SETBAMJWEPUQLL-UKRRQHHQSA-N 2 0 296.459 1.404 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424457415 279158988 /nfs/dbraw/zinc/15/89/88/279158988.db2.gz ZRVRFKKTWQLKPF-JHJVBQTASA-N 2 0 270.421 1.286 10 0 CDAERP Cc1nn(C)c(C)c1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000375783070 279191943 /nfs/dbraw/zinc/19/19/43/279191943.db2.gz PXDDAWAAHKKNGY-IMJJTQAJSA-N 2 0 276.428 1.999 10 0 CDAERP CC[N@H+](CCNC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC000346981534 279192535 /nfs/dbraw/zinc/19/25/35/279192535.db2.gz OGMFXJGDVZYSFX-UHFFFAOYSA-N 2 0 267.417 1.319 10 0 CDAERP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCC2(C)C)CC1 ZINC000343123641 279259395 /nfs/dbraw/zinc/25/93/95/279259395.db2.gz WDQHZFFHTXNDNY-UHFFFAOYSA-N 2 0 267.417 1.461 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000246363054 279310474 /nfs/dbraw/zinc/31/04/74/279310474.db2.gz PWQPDSPXRDERNN-KFWWJZLASA-N 2 0 294.443 1.349 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@H]2CCC[NH+]2C[C@H]1C ZINC000247224037 279311150 /nfs/dbraw/zinc/31/11/50/279311150.db2.gz WJYLVMVNRYHRLA-RBSFLKMASA-N 2 0 294.443 1.349 10 0 CDAERP COC[C@@H](C)C[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000131890858 279691088 /nfs/dbraw/zinc/69/10/88/279691088.db2.gz CMNLBVPKKIEYRG-LSDHHAIUSA-N 2 0 271.449 1.131 10 0 CDAERP CC(C)[C@H](C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C)[NH+](C)C ZINC000341400034 280171305 /nfs/dbraw/zinc/17/13/05/280171305.db2.gz AHYKLHZSUQYEFC-SOUVJXGZSA-N 2 0 283.460 1.952 10 0 CDAERP CC[C@H]1CN(CC[NH+]2CCC(C)CC2)CC[N@@H+]1C[C@H](C)O ZINC000246645252 280296575 /nfs/dbraw/zinc/29/65/75/280296575.db2.gz LAQICDQKROPGPV-IRXDYDNUSA-N 2 0 297.487 1.495 10 0 CDAERP CC[C@@H]1CN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC[N@@H+]1CCOC ZINC000246188734 280377451 /nfs/dbraw/zinc/37/74/51/280377451.db2.gz CWPDMMRLXFJGDL-RRFJBIMHSA-N 2 0 297.443 1.073 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000094459715 288303171 /nfs/dbraw/zinc/30/31/71/288303171.db2.gz ZIIQNUFFBFMBCO-IJLUTSLNSA-N 2 0 253.390 1.055 10 0 CDAERP CC[C@@H](C)C[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001668525021 1173423020 /nfs/dbraw/zinc/42/30/20/1173423020.db2.gz RKQJADKSVPLSJX-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)NCCC[NH2+]C2CC2)CC1 ZINC000417935429 289102405 /nfs/dbraw/zinc/10/24/05/289102405.db2.gz RAWLKBXTZKBCKY-UHFFFAOYSA-N 2 0 296.459 1.548 10 0 CDAERP C[C@@H]1CC[N@H+](CCN[C@@H]2CC[NH+](C)[C@H]3CCC[C@@H]32)C1 ZINC000556868884 290312950 /nfs/dbraw/zinc/31/29/50/290312950.db2.gz BRSLXYBBXGBWIU-FPCVCCKLSA-N 2 0 265.445 1.791 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCCO[C@@H]1CC(C)C ZINC000423051841 293097941 /nfs/dbraw/zinc/09/79/41/293097941.db2.gz OHJFWSDUXMREGE-SOUVJXGZSA-N 2 0 272.433 1.924 10 0 CDAERP Cc1nc2ccccc2n1CC[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400434946 293479768 /nfs/dbraw/zinc/47/97/68/293479768.db2.gz MKJAUXHPSSQKQH-OCCSQVGLSA-N 2 0 272.396 1.932 10 0 CDAERP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000567835823 293884645 /nfs/dbraw/zinc/88/46/45/293884645.db2.gz FZIKHICQESBPDC-UKRRQHHQSA-N 2 0 297.443 1.038 10 0 CDAERP C[C@@H]([NH3+])C1CC[NH+](Cc2cc(-c3cnn(C)c3)no2)CC1 ZINC000568392718 294027263 /nfs/dbraw/zinc/02/72/63/294027263.db2.gz ZGURSTFNSOOZNL-LLVKDONJSA-N 2 0 289.383 1.634 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000571443559 294437769 /nfs/dbraw/zinc/43/77/69/294437769.db2.gz GMRULRFXHJVITI-YYHQMBLXSA-N 2 0 253.390 1.149 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000572423909 294621193 /nfs/dbraw/zinc/62/11/93/294621193.db2.gz RFQOVEYDGVEWGQ-HUUCEWRRSA-N 3 0 253.434 1.968 10 0 CDAERP O=C([C@H]1C[NH2+]Cc2ccccc21)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000574276325 294976059 /nfs/dbraw/zinc/97/60/59/294976059.db2.gz VOKLJLXTIWWWOG-VBQJREDUSA-N 2 0 299.418 1.331 10 0 CDAERP C[C@H]1C[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C[N@@H+]1C1CC1 ZINC000574491584 295007390 /nfs/dbraw/zinc/00/73/90/295007390.db2.gz KPQBVSAQNGAUNK-XUXIUFHCSA-N 2 0 279.428 1.458 10 0 CDAERP C[C@H]([NH2+]C[C@H]1COc2ccccc2O1)[C@H]1CCC[NH2+]C1 ZINC000574868593 295065959 /nfs/dbraw/zinc/06/59/59/295065959.db2.gz FOMFPYLUJVRYEU-IHRRRGAJSA-N 2 0 276.380 1.804 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@@H]1NC1CC([NH+]2CCCCC2)C1 ZINC000423096487 295255537 /nfs/dbraw/zinc/25/55/37/295255537.db2.gz PAUPSSCBROSGBR-PPWQZUPISA-N 2 0 251.418 1.720 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000423400231 297108172 /nfs/dbraw/zinc/10/81/72/297108172.db2.gz QBWPKMVFDXCKSB-MBJXGIAVSA-N 2 0 252.402 1.778 10 0 CDAERP C[C@@]1(CN2CC[C@@H]([NH+]3CCCCC3)C2)CC[NH2+]C1 ZINC000222902413 297893311 /nfs/dbraw/zinc/89/33/11/297893311.db2.gz XUENKSVZLFTVGZ-HUUCEWRRSA-N 2 0 251.418 1.546 10 0 CDAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1(C[NH3+])CCCC1 ZINC000246613215 300317454 /nfs/dbraw/zinc/31/74/54/300317454.db2.gz XETVIEZMIWMHFY-STQMWFEESA-N 2 0 265.401 1.201 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]1C(=O)NC1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000261599819 303459861 /nfs/dbraw/zinc/45/98/61/303459861.db2.gz BCFIPUUBTSTPRY-UXAWBVGHSA-N 2 0 265.401 1.136 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+](CCC2CC2)C1 ZINC001671675215 1173701503 /nfs/dbraw/zinc/70/15/03/1173701503.db2.gz UHJTUBPGXAKUDT-HNNXBMFYSA-N 2 0 267.417 1.319 10 0 CDAERP C[NH2+]C1CCN(C(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000179137322 315970566 /nfs/dbraw/zinc/97/05/66/315970566.db2.gz AVMNOPDZGSBVBJ-WFASDCNBSA-N 2 0 275.396 1.533 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000563373645 316276309 /nfs/dbraw/zinc/27/63/09/316276309.db2.gz JDIMBDVPSKLORG-CABCVRRESA-N 2 0 279.428 1.415 10 0 CDAERP O=C(C[NH2+]C1(C2CC2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000577661365 317378664 /nfs/dbraw/zinc/37/86/64/317378664.db2.gz GYPFJGLHAHMILO-UHFFFAOYSA-N 2 0 277.412 1.262 10 0 CDAERP COC1(c2nc([C@H]([NH3+])CC(C)C)no2)CC[NH2+]CC1 ZINC000577952132 317438433 /nfs/dbraw/zinc/43/84/33/317438433.db2.gz SCPRFNLEQBUBOA-SNVBAGLBSA-N 2 0 268.361 1.341 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CC2CCC2)C1 ZINC001672761743 1173797159 /nfs/dbraw/zinc/79/71/59/1173797159.db2.gz OTKPKVCHIJBCHO-JKSUJKDBSA-N 2 0 293.455 1.709 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCCn2ccnc2)[C@H](C)C1 ZINC000182926023 323308078 /nfs/dbraw/zinc/30/80/78/323308078.db2.gz BXFPQSVWJSYBGX-CABCVRRESA-N 2 0 264.417 1.935 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC000578763163 324018705 /nfs/dbraw/zinc/01/87/05/324018705.db2.gz OCETYSBFRPWKOO-BFYDXBDKSA-N 2 0 295.471 1.955 10 0 CDAERP [NH3+]Cc1ccc(-c2noc(CC(F)(F)C[NH3+])n2)cc1 ZINC000579014447 324083751 /nfs/dbraw/zinc/08/37/51/324083751.db2.gz YHEHBEZRYYRDAF-UHFFFAOYSA-N 2 0 268.267 1.332 10 0 CDAERP Cc1c(Cl)c(C[NH2+][C@@H]2CCc3nc[nH]c3C2)nn1C ZINC000583687089 325220563 /nfs/dbraw/zinc/22/05/63/325220563.db2.gz UBUHXGFRCPLOJP-SECBINFHSA-N 2 0 279.775 1.752 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001725651780 1159262129 /nfs/dbraw/zinc/26/21/29/1159262129.db2.gz GJEOVAPAORZKAC-ZIAGYGMSSA-N 2 0 269.433 1.611 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001691460919 1159321474 /nfs/dbraw/zinc/32/14/74/1159321474.db2.gz JIQODHMCNJXFIU-BETUJISGSA-N 2 0 255.406 1.223 10 0 CDAERP CCCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001482083015 1159978292 /nfs/dbraw/zinc/97/82/92/1159978292.db2.gz ASNRFFVHYMPLDW-STQMWFEESA-N 2 0 255.406 1.223 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)C[NH2+]C/C=C\Cl)[NH+](C)C ZINC001482113480 1159982799 /nfs/dbraw/zinc/98/27/99/1159982799.db2.gz NWEFLMIUVYCESW-QHDQMSKJSA-N 2 0 275.824 1.421 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC/C=C/C[NH2+]CCF)C1 ZINC001268612905 1159999480 /nfs/dbraw/zinc/99/94/80/1159999480.db2.gz JWIRBDFFLJLZGE-LSMGEYOZSA-N 2 0 285.407 1.338 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)[C@]1(C)CCC[NH2+]1)c1ccccc1 ZINC000079519453 482373277 /nfs/dbraw/zinc/37/32/77/482373277.db2.gz TUAUAYCITKXNHN-ZBFHGGJFSA-N 2 0 275.396 1.548 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccn(C)c(=O)c2)[C@H](C)C1 ZINC000673714074 482824372 /nfs/dbraw/zinc/82/43/72/482824372.db2.gz BLHLQXHILKGCCR-UKRRQHHQSA-N 2 0 277.412 1.547 10 0 CDAERP CC[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)CO1 ZINC000657363676 482854408 /nfs/dbraw/zinc/85/44/08/482854408.db2.gz AQUKSMLEYFHBOM-FVQBIDKESA-N 2 0 282.428 1.644 10 0 CDAERP Fc1cccn2cc(C[NH2+]CC[C@H]3CCC[NH2+]C3)nc12 ZINC000666792099 482920872 /nfs/dbraw/zinc/92/08/72/482920872.db2.gz HHUXAJFNMBMPAA-GFCCVEGCSA-N 2 0 276.359 1.953 10 0 CDAERP CCCc1occc1C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000684967421 483043397 /nfs/dbraw/zinc/04/33/97/483043397.db2.gz ZUBAQRRERSLRJN-UHFFFAOYSA-N 2 0 295.427 1.798 10 0 CDAERP O=C(C[C@H]1CC[NH2+]C1)N1CC[NH+](C2CCCC2)CC1 ZINC000089747751 483130523 /nfs/dbraw/zinc/13/05/23/483130523.db2.gz SRIJHWMCVMLNFR-CYBMUJFWSA-N 2 0 265.401 1.073 10 0 CDAERP C[C@@H]1C[C@H](C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CCO1 ZINC000679331775 483341863 /nfs/dbraw/zinc/34/18/63/483341863.db2.gz AGMGQMDCNHLOSL-BRWVUGGUSA-N 2 0 295.471 1.513 10 0 CDAERP C[N@@H+]1CCC[C@H]2CN(Cc3cn(C4CCC4)nn3)CC[C@@H]21 ZINC000667705941 483389842 /nfs/dbraw/zinc/38/98/42/483389842.db2.gz OJOZXTHGGFYFIO-BBRMVZONSA-N 2 0 289.427 1.919 10 0 CDAERP CC(C)C[C@@H](CNC(=O)C[C@H]([NH3+])C(C)C)[NH+](C)C ZINC000136430146 483403338 /nfs/dbraw/zinc/40/33/38/483403338.db2.gz IHYRUPNRQOURNP-STQMWFEESA-N 2 0 257.422 1.452 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667785160 483426480 /nfs/dbraw/zinc/42/64/80/483426480.db2.gz IKUGQZCVZYATKK-KBMXLJTQSA-N 2 0 281.444 1.170 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CCCC[NH+]2C2CC2)C1 ZINC000683387494 483503213 /nfs/dbraw/zinc/50/32/13/483503213.db2.gz YWMBXJVGIUHDKR-DZGCQCFKSA-N 2 0 294.443 1.397 10 0 CDAERP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322857593 483552539 /nfs/dbraw/zinc/55/25/39/483552539.db2.gz SXZJFLAWPCKNOW-WYTNZGFTSA-N 2 0 265.401 1.116 10 0 CDAERP Cc1cn2ccc(NC(=O)N[C@H]3CCC[N@@H+](C)C3)cc2n1 ZINC000668152645 483586646 /nfs/dbraw/zinc/58/66/46/483586646.db2.gz UFBVTHXZUMOATI-ZDUSSCGKSA-N 2 0 287.367 1.858 10 0 CDAERP CC(C)[NH2+]CCC[C@H](C)[N@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000052482889 519720917 /nfs/dbraw/zinc/72/09/17/519720917.db2.gz SCMDSAMMJQKPQC-QWHCGFSZSA-N 2 0 276.446 1.272 10 0 CDAERP CCCC[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001483456032 1160924726 /nfs/dbraw/zinc/92/47/26/1160924726.db2.gz LDTXGLJXLSQHHC-CYBMUJFWSA-N 2 0 255.406 1.319 10 0 CDAERP CC[N@H+](C)CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001707424889 1178038296 /nfs/dbraw/zinc/03/82/96/1178038296.db2.gz ZEYJSNRMUUUPLM-STQMWFEESA-N 2 0 255.406 1.317 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@H](COCC[NH+](CC)CC)O1 ZINC000052672002 519982052 /nfs/dbraw/zinc/98/20/52/519982052.db2.gz LNHMTVLZWSSQIY-ZIAGYGMSSA-N 2 0 258.406 1.502 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCc2cn[nH]c2)[C@@H](C)C1 ZINC000459377983 1161159372 /nfs/dbraw/zinc/15/93/72/1161159372.db2.gz NTXAPSALVLIGSU-JSGCOSHPSA-N 2 0 250.390 1.614 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001733230392 1161160155 /nfs/dbraw/zinc/16/01/55/1161160155.db2.gz ODKORHOBBFKIOY-KGLIPLIRSA-N 2 0 267.417 1.175 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]CC3=CCCCC3)CC2)C1 ZINC001670900381 1161343780 /nfs/dbraw/zinc/34/37/80/1161343780.db2.gz POWZAHACQMEZHK-OAHLLOKOSA-N 2 0 291.439 1.677 10 0 CDAERP C[NH2+]Cc1ccccc1C[N@H+](CCOC)[C@H](C)COC ZINC000052572448 522132684 /nfs/dbraw/zinc/13/26/84/522132684.db2.gz PJOMFRFSMAZVCN-CQSZACIVSA-N 2 0 280.412 1.889 10 0 CDAERP C([NH2+]C1CC1)[C@H]1CC[C@H](C[N@@H+]2CCCSCC2)O1 ZINC000052371158 518397727 /nfs/dbraw/zinc/39/77/27/518397727.db2.gz NASRCJMIHAVQMT-ZIAGYGMSSA-N 2 0 270.442 1.725 10 0 CDAERP CC(C)[N@H+](C)CCCC[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000069137604 519617464 /nfs/dbraw/zinc/61/74/64/519617464.db2.gz DGISAPMPCFEXFJ-CYBMUJFWSA-N 2 0 276.446 1.274 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)[C@@H]1[C@@H](C)CCC[C@@H]1[NH3+] ZINC000055131937 519621858 /nfs/dbraw/zinc/62/18/58/519621858.db2.gz ZLAMFQMLGNOJIC-RWMBFGLXSA-N 2 0 255.406 1.206 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000055088226 519724315 /nfs/dbraw/zinc/72/43/15/519724315.db2.gz PPWVALCYTMZWOX-ZIAGYGMSSA-N 2 0 267.417 1.304 10 0 CDAERP CC(C)C[NH+]1CCN(C[C@H]([NH3+])c2ccccc2)CC1 ZINC000055079099 519726486 /nfs/dbraw/zinc/72/64/86/519726486.db2.gz MWFWKDFHLPOSBI-INIZCTEOSA-N 2 0 261.413 1.960 10 0 CDAERP CC(C)C[NH+]1CCN(Cc2cc[nH+]c(NN)c2)CC1 ZINC000055081563 519727029 /nfs/dbraw/zinc/72/70/29/519727029.db2.gz ISROYDUXAWJQNK-UHFFFAOYSA-N 2 0 263.389 1.141 10 0 CDAERP CC(C)C[NH2+]Cc1ccc(N2CCC[C@@H]2C[NH+](C)C)nn1 ZINC000061654248 519747142 /nfs/dbraw/zinc/74/71/42/519747142.db2.gz UNWVMVFXEOZBCR-OAHLLOKOSA-N 2 0 291.443 1.753 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050951205 519813954 /nfs/dbraw/zinc/81/39/54/519813954.db2.gz UBAKIRJVCRMQRO-KBPBESRZSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)[C@](C)(C[NH3+])N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062978589 519829175 /nfs/dbraw/zinc/82/91/75/519829175.db2.gz SPXHHHWGKJBKIR-GJZGRUSLSA-N 2 0 253.434 1.920 10 0 CDAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC[NH+](CC)CC ZINC000054626931 519911171 /nfs/dbraw/zinc/91/11/71/519911171.db2.gz FGJNIXXSOUXZMR-GOOCMWNKSA-N 2 0 253.434 1.933 10 0 CDAERP CC[NH2+]CCCCN1CC[NH+](C2CCCC2)CC1 ZINC000052573440 519919350 /nfs/dbraw/zinc/91/93/50/519919350.db2.gz KNCTXTJMYQQIQB-UHFFFAOYSA-N 2 0 253.434 1.936 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@@H](CN2CC[NH+](C(C)(C)C)CC2)O1 ZINC000052571695 519924171 /nfs/dbraw/zinc/92/41/71/519924171.db2.gz VSZDDLBUQKSOBN-HOTGVXAUSA-N 2 0 297.487 1.950 10 0 CDAERP CCC[NH2+]C[C@@]1(CN2CC[C@H]([NH+](CC)CC)C2)CCOC1 ZINC000062970234 519930351 /nfs/dbraw/zinc/93/03/51/519930351.db2.gz YXNWVJZUCCYYNO-DLBZAZTESA-N 2 0 297.487 1.809 10 0 CDAERP CCC[NH2+][C@@H](C)CCC[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061643821 519984873 /nfs/dbraw/zinc/98/48/73/519984873.db2.gz ICIDLYTVOIRSGE-INIZCTEOSA-N 3 0 284.492 1.334 10 0 CDAERP CC[NH2+]Cc1cn(CC[N@H+](C)[C@@H](C)C(C)C)nn1 ZINC000052478525 520013886 /nfs/dbraw/zinc/01/38/86/520013886.db2.gz AJKXGOZJKYMLQE-LBPRGKRZSA-N 2 0 253.394 1.364 10 0 CDAERP CCC[NH2+][C@H]1CCOC[C@H]1N1CC[NH+](CC(C)C)CC1 ZINC000055079411 520095941 /nfs/dbraw/zinc/09/59/41/520095941.db2.gz IDDOUKGGHMHGCU-JKSUJKDBSA-N 2 0 283.460 1.417 10 0 CDAERP CC[NH2+][C@H](C)C1CC[NH+](CCCC(=O)NC)CC1 ZINC000068815711 520161683 /nfs/dbraw/zinc/16/16/83/520161683.db2.gz HNMATJIODNKLHA-GFCCVEGCSA-N 2 0 255.406 1.223 10 0 CDAERP CCCC[N@H+](CCn1cc(C[NH2+]C)nn1)[C@@H](C)CC ZINC000052372707 520542357 /nfs/dbraw/zinc/54/23/57/520542357.db2.gz YQXHTMIMPPILCF-ZDUSSCGKSA-N 2 0 267.421 1.898 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@@H]1CCC[C@@H]([NH3+])[C@@H]1C ZINC000055123407 520616610 /nfs/dbraw/zinc/61/66/10/520616610.db2.gz GENZPTVYKITAKR-MGPQQGTHSA-N 2 0 269.433 1.598 10 0 CDAERP CC[NH+](CC)CCOc1ccc2c(c1)OC[C@@H]2[NH3+] ZINC000062803945 520698994 /nfs/dbraw/zinc/69/89/94/520698994.db2.gz RAIVQIJJMMMOBB-ZDUSSCGKSA-N 2 0 250.342 1.799 10 0 CDAERP CCCCOCC[NH+]1CCN([C@H](CC)CC[NH3+])CC1 ZINC000049261693 520763447 /nfs/dbraw/zinc/76/34/47/520763447.db2.gz JEHCNTMPNBMXSU-OAHLLOKOSA-N 2 0 271.449 1.548 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000337333757 520857050 /nfs/dbraw/zinc/85/70/50/520857050.db2.gz ZKRWHJNEUMBKBO-QLFBSQMISA-N 2 0 296.459 1.643 10 0 CDAERP CC1CC[NH+](CCNC(=O)[C@@H]2CCC[C@H]([NH3+])[C@@H]2C)CC1 ZINC000055136652 521013361 /nfs/dbraw/zinc/01/33/61/521013361.db2.gz IWLQZVLGYIFCOY-KFWWJZLASA-N 2 0 281.444 1.598 10 0 CDAERP CCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000236876838 521116139 /nfs/dbraw/zinc/11/61/39/521116139.db2.gz YDFYRUJQFNDQGM-OLZOCXBDSA-N 2 0 255.406 1.350 10 0 CDAERP CCOC(=O)[C@@](C)([NH3+])CCCN1CC[NH+]([C@H](C)CC)CC1 ZINC000055070216 521152466 /nfs/dbraw/zinc/15/24/66/521152466.db2.gz KECZXTJOPWVKEO-ZBFHGGJFSA-N 2 0 299.459 1.463 10 0 CDAERP CCC[C@]1(C(=O)N[C@@H](C)C[NH+](CC)CC)CC[NH2+]C1 ZINC000062903008 521300242 /nfs/dbraw/zinc/30/02/42/521300242.db2.gz VEJRTQIHBWPAAD-ZFWWWQNUSA-N 2 0 269.433 1.613 10 0 CDAERP CCC(CC)[C@H](CNC(=O)C1([NH3+])CC1)[NH+]1CCCC1 ZINC000164387408 521617442 /nfs/dbraw/zinc/61/74/42/521617442.db2.gz HQCVDAKMHJXKSP-ZDUSSCGKSA-N 2 0 267.417 1.495 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1[C@@H](C[NH3+])C1CCCCC1 ZINC000061642938 521870489 /nfs/dbraw/zinc/87/04/89/521870489.db2.gz QHMYEMYJHJMXHG-CABCVRRESA-N 2 0 253.434 1.920 10 0 CDAERP C[NH2+]C[C@@H](C)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000052417103 522029045 /nfs/dbraw/zinc/02/90/45/522029045.db2.gz TYYAQGIUWPDPAB-OAHLLOKOSA-N 2 0 261.413 1.660 10 0 CDAERP C[NH+](C)[C@@H]1CCN([C@@H](C[NH3+])c2ccc3ncccc3c2)C1 ZINC000069502796 522052395 /nfs/dbraw/zinc/05/23/95/522052395.db2.gz FSIALHYRNJIWCV-WBVHZDCISA-N 2 0 284.407 1.871 10 0 CDAERP C[NH2+]C[C@H]1CC[C@H](CN2CC[NH+](C3CCCC3)CC2)O1 ZINC000052573543 522096530 /nfs/dbraw/zinc/09/65/30/522096530.db2.gz AYYHYCAHAGVPPN-HZPDHXFCSA-N 2 0 281.444 1.314 10 0 CDAERP C[NH2+]Cc1cc(CN2CC[NH+](C(C)C)CC2)oc1C ZINC000052480027 522108883 /nfs/dbraw/zinc/10/88/83/522108883.db2.gz NVJBSLPNUCHGNE-UHFFFAOYSA-N 2 0 265.401 1.833 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(CCC[NH2+]CCOC)CC1 ZINC000055075161 522117948 /nfs/dbraw/zinc/11/79/48/522117948.db2.gz KGVCRMXQGBWPFT-CQSZACIVSA-N 2 0 257.422 1.029 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(CCCC[C@](C)([NH3+])C(=O)OC)CC1 ZINC000055071068 522118184 /nfs/dbraw/zinc/11/81/84/522118184.db2.gz XYWUKNRWQKWVAG-ZBFHGGJFSA-N 2 0 299.459 1.463 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(c2nc3c(cc2C[NH3+])CCC3)CC1 ZINC000055063363 522137338 /nfs/dbraw/zinc/13/73/38/522137338.db2.gz LWDLLTACLCPYLI-CYBMUJFWSA-N 2 0 288.439 1.950 10 0 CDAERP C[NH2+]Cc1cn(CC[N@H+](CC(C)C)C(C)C)nn1 ZINC000052572596 522142304 /nfs/dbraw/zinc/14/23/04/522142304.db2.gz JKROHVVUQYOHSG-UHFFFAOYSA-N 2 0 253.394 1.364 10 0 CDAERP C[NH2+]Cc1sc(N2CC[C@H]([NH+](C)C)C2)nc1C1CC1 ZINC000069182575 522169725 /nfs/dbraw/zinc/16/97/25/522169725.db2.gz IVBSXFWGTGGRLY-NSHDSACASA-N 2 0 280.441 1.880 10 0 CDAERP CC[C@@H]([NH3+])[C@@H](N1CC[C@H]([NH+](C)C)C1)C(F)(F)F ZINC000062964238 522647646 /nfs/dbraw/zinc/64/76/46/522647646.db2.gz ZQFAHQLCWBTMJH-IVZWLZJFSA-N 2 0 253.312 1.291 10 0 CDAERP COCCC[N@H+](CCCC[NH2+]CC(C)C)CCOC ZINC000052543182 523241643 /nfs/dbraw/zinc/24/16/43/523241643.db2.gz WFRSKGGVPAUAQR-UHFFFAOYSA-N 2 0 274.449 1.997 10 0 CDAERP CC[C@@H]1CC[C@H](C[NH3+])[C@H]([NH+]2CCN(CC[NH+](C)C)CC2)C1 ZINC000061642685 523369587 /nfs/dbraw/zinc/36/95/87/523369587.db2.gz LPJZUVMHGZMRNB-BRWVUGGUSA-N 3 0 296.503 1.319 10 0 CDAERP CC[C@]1(C(=O)NC[C@H](C(C)C)[NH+](C)C)CC[NH2+]C1 ZINC000062899662 523540082 /nfs/dbraw/zinc/54/00/82/523540082.db2.gz JOPZKJHABUSDII-OCCSQVGLSA-N 2 0 255.406 1.079 10 0 CDAERP COCC[N@H+](CCn1cc(C[NH2+]C(C)C)nn1)CC(C)C ZINC000052508587 523730450 /nfs/dbraw/zinc/73/04/50/523730450.db2.gz JSDUJXFNUVUEAL-UHFFFAOYSA-N 2 0 297.447 1.381 10 0 CDAERP COCC[N@H+](Cc1ccoc1C[NH3+])[C@H](C)C1CC1 ZINC000052545368 523769900 /nfs/dbraw/zinc/76/99/00/523769900.db2.gz RDSGFMIJROLSMO-LLVKDONJSA-N 2 0 252.358 1.985 10 0 CDAERP CC[C@H](C)[NH+]1CCN([C@H](C)CC[NH2+]C2CC2)CC1 ZINC000055074870 523959806 /nfs/dbraw/zinc/95/98/06/523959806.db2.gz AWYBGKQVUREIRS-UONOGXRCSA-N 2 0 253.434 1.933 10 0 CDAERP C[NH+](C)C(C)(C)CNC(=O)[C@H]1CCC[C@H](CC[NH3+])C1 ZINC000055163281 524032875 /nfs/dbraw/zinc/03/28/75/524032875.db2.gz PGWBNKWSYPJRMM-OLZOCXBDSA-N 2 0 269.433 1.598 10 0 CDAERP C[C@H](CC[NH+](C)C)[NH2+]C[C@@H](O)c1ccc2c(c1)OCCO2 ZINC000049557008 524162094 /nfs/dbraw/zinc/16/20/94/524162094.db2.gz FOCFTVGNGCGKIX-TZMCWYRMSA-N 2 0 294.395 1.421 10 0 CDAERP C[C@H]1CC[C@@H](C(=O)NC[C@@H]2CCC[N@H+](C)C2)C[C@@H]1[NH3+] ZINC000055138485 524335587 /nfs/dbraw/zinc/33/55/87/524335587.db2.gz RYXGBURVWSXNCQ-FQUUOJAGSA-N 2 0 267.417 1.208 10 0 CDAERP C[C@@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000055123277 524392083 /nfs/dbraw/zinc/39/20/83/524392083.db2.gz JEEVNJLTZQXQKX-KWCYVHTRSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@@H](C[NH+]1CCCC1)NC(=O)CC[NH2+]C(C)(C)C ZINC000049184812 524589258 /nfs/dbraw/zinc/58/92/58/524589258.db2.gz CILIKNYITNMQBK-LBPRGKRZSA-N 2 0 255.406 1.365 10 0 CDAERP C[C@@H]1CC[C@H](C(=O)NCCCC[NH+](C)C)C[C@@H]1[NH3+] ZINC000055138923 524633330 /nfs/dbraw/zinc/63/33/30/524633330.db2.gz DUCVBVNTJCRQBO-AGIUHOORSA-N 2 0 255.406 1.208 10 0 CDAERP C[C@H]([NH3+])[C@H](c1ccccn1)N(C)CC[NH+]1CCCC1 ZINC000063050831 524854890 /nfs/dbraw/zinc/85/48/90/524854890.db2.gz DFRYADDSQRCFDZ-DZGCQCFKSA-N 2 0 262.401 1.498 10 0 CDAERP C[C@]([NH3+])(C(=O)N[C@@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC000052881183 525144167 /nfs/dbraw/zinc/14/41/67/525144167.db2.gz ILKNOZIYLWLFNG-GDBMZVCRSA-N 2 0 273.380 1.071 10 0 CDAERP C[C@@H]1C[C@H]([NH3+])CC[C@@H]1C(=O)NCC[NH+]1CCCCCC1 ZINC000055136267 525418252 /nfs/dbraw/zinc/41/82/52/525418252.db2.gz BTRAPWZEUIIYRN-KFWWJZLASA-N 2 0 281.444 1.742 10 0 CDAERP C[C@@H]1[C@@H]([NH3+])CCC[C@@H]1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000055123265 525664745 /nfs/dbraw/zinc/66/47/45/525664745.db2.gz LVEOZJCJAJIDSL-UBHSHLNASA-N 2 0 267.417 1.303 10 0 CDAERP COc1cccc(N2CC[NH+]([C@@H](C)C[C@@H](C)[NH3+])CC2)c1 ZINC000068654193 526155926 /nfs/dbraw/zinc/15/59/26/526155926.db2.gz UYPJDCMLRKJWSQ-KGLIPLIRSA-N 2 0 277.412 1.943 10 0 CDAERP C[C@H](CC(=O)N[C@@H]1C[NH2+]CC[C@H]1C)C1CC[NH2+]CC1 ZINC000186718942 526245183 /nfs/dbraw/zinc/24/51/83/526245183.db2.gz RIJPYLPXLQGJKA-YRGRVCCFSA-N 2 0 267.417 1.126 10 0 CDAERP O=C(CCC1CC[NH2+]CC1)N1CCC([NH+]2CCCC2)CC1 ZINC000050948607 526408323 /nfs/dbraw/zinc/40/83/23/526408323.db2.gz XYSODWAIWUDBDD-UHFFFAOYSA-N 2 0 293.455 1.853 10 0 CDAERP O=C(CCC1CC[NH2+]CC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000050946920 526409441 /nfs/dbraw/zinc/40/94/41/526409441.db2.gz HNZYMLWGNJQKRG-AWEZNQCLSA-N 2 0 265.401 1.073 10 0 CDAERP [NH3+]C1CCC(C(=O)NCC[NH+]2CCCCC2)CC1 ZINC000049575447 527139439 /nfs/dbraw/zinc/13/94/39/527139439.db2.gz DCCGSPMZCVSSFT-UHFFFAOYSA-N 2 0 253.390 1.106 10 0 CDAERP Cc1nn(C)c(N2CCC[C@H]2C[NH+](C)C)c1C[NH2+]C1CC1 ZINC000061646056 527675646 /nfs/dbraw/zinc/67/56/46/527675646.db2.gz NWXHFZWVWDZROU-AWEZNQCLSA-N 2 0 291.443 1.511 10 0 CDAERP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000417276354 535211479 /nfs/dbraw/zinc/21/14/79/535211479.db2.gz DRECFUYJPGRTIZ-STQMWFEESA-N 2 0 270.421 1.095 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000175954021 535576386 /nfs/dbraw/zinc/57/63/86/535576386.db2.gz FCDWJQBJLKOPDC-ILXRZTDVSA-N 2 0 296.459 1.643 10 0 CDAERP CN(CC[N@H+](C)C1CC1)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418420367 536365713 /nfs/dbraw/zinc/36/57/13/536365713.db2.gz AVJFQXOKNIFPIX-OAHLLOKOSA-N 2 0 290.411 1.422 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1COc2ccccc2O1 ZINC000234728757 536596363 /nfs/dbraw/zinc/59/63/63/536596363.db2.gz HHDCFUXRJLDVRL-OLZOCXBDSA-N 2 0 280.368 1.170 10 0 CDAERP COC1(c2nc(-c3ccc(C[NH3+])cc3)no2)CC[NH2+]CC1 ZINC000647158479 574422323 /nfs/dbraw/zinc/42/23/23/574422323.db2.gz KSASKWQOGBECDW-UHFFFAOYSA-N 2 0 288.351 1.420 10 0 CDAERP C[C@H]1C[C@@H](N(C)C(=S)NC2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000741483276 575055740 /nfs/dbraw/zinc/05/57/40/575055740.db2.gz CUCMLQJSTAYWQA-JSGCOSHPSA-N 2 0 298.500 1.370 10 0 CDAERP C[C@@H]([NH2+]CCCO)[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001689906226 1175301680 /nfs/dbraw/zinc/30/16/80/1175301680.db2.gz RXIKLOZWIWUMLZ-HUUCEWRRSA-N 2 0 299.459 1.070 10 0 CDAERP CC1(C)[C@H]([NH2+]CCCN2CCCC2=O)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925513268 617419804 /nfs/dbraw/zinc/41/98/04/617419804.db2.gz IBIMZHFFCQYEDK-VHDGCEQUSA-N 2 0 279.428 1.365 10 0 CDAERP C[C@@H]1CC[C@H](C(N)=O)[C@H](C)[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000930910632 617564755 /nfs/dbraw/zinc/56/47/55/617564755.db2.gz ZNYMIXMEOOWMCX-RQJABVFESA-N 2 0 267.417 1.445 10 0 CDAERP C[C@H]1CCC[N@@H+]1CCN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925624168 617571122 /nfs/dbraw/zinc/57/11/22/617571122.db2.gz VYFNXMKURHOKJF-XGUBFFRZSA-N 2 0 265.445 1.837 10 0 CDAERP [NH3+][C@@H]1C[C@@H](NC2CC([NH+]3CCCCC3)C2)C12CCC2 ZINC000925663385 617610068 /nfs/dbraw/zinc/61/00/68/617610068.db2.gz RNULKRHUFHHLAR-NEXFUWMNSA-N 2 0 263.429 1.863 10 0 CDAERP CC(C)(C)[C@H](O)C[C@H](CO)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925664826 617614930 /nfs/dbraw/zinc/61/49/30/617614930.db2.gz BEMGPOQZMADPIF-XJFOESAGSA-N 2 0 286.460 1.640 10 0 CDAERP CC1(C)[C@@H]([NH2+]CCC2(O)CCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925664651 617615648 /nfs/dbraw/zinc/61/56/48/617615648.db2.gz GAFIXMFWBXAYBH-AGIUHOORSA-N 2 0 252.402 1.658 10 0 CDAERP COCC1(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)CCOCC1 ZINC000925672531 617632026 /nfs/dbraw/zinc/63/20/26/617632026.db2.gz IAZHQOISRLOFQC-QWHCGFSZSA-N 2 0 268.401 1.289 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCC2(O)CCOCC2)C1 ZINC000925672152 617632294 /nfs/dbraw/zinc/63/22/94/617632294.db2.gz UNLOJGFDBPQXKM-QWHCGFSZSA-N 2 0 270.417 1.414 10 0 CDAERP COCC1(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)CCOCC1 ZINC000925672530 617632399 /nfs/dbraw/zinc/63/23/99/617632399.db2.gz IAZHQOISRLOFQC-OLZOCXBDSA-N 2 0 268.401 1.289 10 0 CDAERP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cn1 ZINC000925786081 617709111 /nfs/dbraw/zinc/70/91/11/617709111.db2.gz NUFNYIBDZIHYMD-DYEKYZERSA-N 2 0 263.385 1.466 10 0 CDAERP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc[nH]n3)C2)[C@H]1C(C)C ZINC000888098040 617759423 /nfs/dbraw/zinc/75/94/23/617759423.db2.gz YFSFHKMEWRCXEX-KLHDSHLOSA-N 2 0 292.427 1.369 10 0 CDAERP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000925832188 617853505 /nfs/dbraw/zinc/85/35/05/617853505.db2.gz QZZQNAAUOMQGKX-SEBNEYGDSA-N 2 0 250.386 1.555 10 0 CDAERP FC(F)(F)[C@]1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCCN1 ZINC000925857262 617895707 /nfs/dbraw/zinc/89/57/07/617895707.db2.gz SKIAXIZSRUAYOO-FDYHWXHSSA-N 2 0 291.361 1.649 10 0 CDAERP Cc1nccnc1CC[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000926491636 617899134 /nfs/dbraw/zinc/89/91/34/617899134.db2.gz YSVAISXOUJSUGH-HZPDHXFCSA-N 2 0 274.412 1.934 10 0 CDAERP C[NH+](C)CC1(O)CC[NH+](C[C@@](C)(O)c2ccccc2)CC1 ZINC000931484842 617936164 /nfs/dbraw/zinc/93/61/64/617936164.db2.gz UKEBMSOSRYDZMH-MRXNPFEDSA-N 2 0 292.423 1.283 10 0 CDAERP C[C@@H](C[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2)N1CC[NH+](C)CC1 ZINC000924967039 618483365 /nfs/dbraw/zinc/48/33/65/618483365.db2.gz WAFUYHRUKZDJPH-JONQDZQNSA-N 2 0 263.429 1.567 10 0 CDAERP Cc1ccnc(N)c1CN1CCC[C@H]([NH+](C)C)CC1 ZINC000894564807 618964771 /nfs/dbraw/zinc/96/47/71/618964771.db2.gz ABEHVVDEUJOKAO-ZDUSSCGKSA-N 2 0 262.401 1.888 10 0 CDAERP C[C@@H]1[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC[N@@H+]1C ZINC000928430913 619016953 /nfs/dbraw/zinc/01/69/53/619016953.db2.gz AAUFGSVNZVAFJF-LALPHHSUSA-N 2 0 285.407 1.408 10 0 CDAERP Cc1coc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)c1 ZINC000894787764 619060693 /nfs/dbraw/zinc/06/06/93/619060693.db2.gz UUBULUAVHCYFGB-UHFFFAOYSA-N 2 0 267.417 1.903 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC[N@@H+]1C ZINC000928439179 619082762 /nfs/dbraw/zinc/08/27/62/619082762.db2.gz IEUZKOLNSAHHGF-KBMXLJTQSA-N 2 0 293.455 1.992 10 0 CDAERP CC[C@@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)C(=O)OC ZINC000895126851 619321935 /nfs/dbraw/zinc/32/19/35/619321935.db2.gz DGIBBTIRFRPNTF-LBPRGKRZSA-N 2 0 288.351 1.556 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000896112353 619987723 /nfs/dbraw/zinc/98/77/23/619987723.db2.gz WCQIHWIXYVIBRD-CHWSQXEVSA-N 2 0 267.417 1.412 10 0 CDAERP CC[NH+]1CCC(CC[NH2+][C@H]2CN3C[C@@H]2CCC3)CC1 ZINC000925152024 620491017 /nfs/dbraw/zinc/49/10/17/620491017.db2.gz QPACVNVQOFCEDI-HOTGVXAUSA-N 2 0 265.445 1.792 10 0 CDAERP c1cc(N2CCC([NH2+][C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)cc[nH+]1 ZINC000897815196 621117303 /nfs/dbraw/zinc/11/73/03/621117303.db2.gz TYUAIJCYYGTDRJ-ALYAQQCSSA-N 2 0 285.391 1.816 10 0 CDAERP C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@]34CC[NH+](C3)CCC4)C2)C1 ZINC000897831341 621150921 /nfs/dbraw/zinc/15/09/21/621150921.db2.gz JKTSSJFAAXYGNZ-CVEARBPZSA-N 2 0 277.412 1.027 10 0 CDAERP C[NH+]1CCC(OCC(=O)OCC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000923794337 621616770 /nfs/dbraw/zinc/61/67/70/621616770.db2.gz PFIXMVYGWNJGRQ-CQSZACIVSA-N 2 0 298.427 1.515 10 0 CDAERP C[C@@H](NC(=[NH2+])NCC[N@H+](C)C1CCCC1)C1CC1 ZINC000899267156 622132943 /nfs/dbraw/zinc/13/29/43/622132943.db2.gz JZCZQGSZDFFJMB-LLVKDONJSA-N 2 0 252.406 1.773 10 0 CDAERP C1C[NH2+][C@H](c2noc([C@@H]3CC[NH2+][C@H]([C@H]4CCCO4)C3)n2)C1 ZINC000900010222 622633527 /nfs/dbraw/zinc/63/35/27/622633527.db2.gz PRDZPANOHHNRAU-MROQNXINSA-N 2 0 292.383 1.509 10 0 CDAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[N@@H+]1CCC[C@H](C)C1 ZINC000900204631 622800802 /nfs/dbraw/zinc/80/08/02/622800802.db2.gz MFDMYOSQPODTNM-UONOGXRCSA-N 2 0 279.428 1.319 10 0 CDAERP CC[NH+](CC)[C@H](CNC(=O)C12CC[NH+](CC1)C2)CC(C)C ZINC000900684737 623372854 /nfs/dbraw/zinc/37/28/54/623372854.db2.gz FKFVVFDXLVPXRW-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP C[N@H+]1CC=C(CNC(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC000901330821 624138831 /nfs/dbraw/zinc/13/88/31/624138831.db2.gz RAWUZNYWSUJKLD-LSDHHAIUSA-N 2 0 277.412 1.381 10 0 CDAERP CC(C)N1CCO[C@H](C(=[NH2+])NOCCc2ccns2)C1 ZINC000902324001 624684814 /nfs/dbraw/zinc/68/48/14/624684814.db2.gz JTKQWFCFFLGXMT-LBPRGKRZSA-N 2 0 298.412 1.293 10 0 CDAERP C1[C@@H]2[C@H]1[C@@H]1O[C@H]2C[C@H]1[NH2+][C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000902453258 624836644 /nfs/dbraw/zinc/83/66/44/624836644.db2.gz OIVYUJQQCLUOOS-JILOHYQNSA-N 2 0 262.397 1.673 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH2+]CC2(C3(O)CCOCC3)CC2)[C@@H](C)C1 ZINC000903350761 625976134 /nfs/dbraw/zinc/97/61/34/625976134.db2.gz YNSBIJVIZCDVRH-LSDHHAIUSA-N 2 0 296.455 1.628 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]CC2(C3(O)CCOCC3)CC2)[C@H](C)C1 ZINC000903350758 625976266 /nfs/dbraw/zinc/97/62/66/625976266.db2.gz YNSBIJVIZCDVRH-CABCVRRESA-N 2 0 296.455 1.628 10 0 CDAERP CO[C@]1(C)C[C@H]([N@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)C1(C)C ZINC000903441368 625992889 /nfs/dbraw/zinc/99/28/89/625992889.db2.gz PDBXKYDFAGUNDR-UKTARXLSSA-N 2 0 254.418 1.977 10 0 CDAERP CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903458546 625994495 /nfs/dbraw/zinc/99/44/95/625994495.db2.gz CWLGGQCDYABVMC-KBXIAJHMSA-N 2 0 297.443 1.960 10 0 CDAERP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CCOC2CC2)C1 ZINC000903461279 625995959 /nfs/dbraw/zinc/99/59/59/625995959.db2.gz RSLJIXUCJICDCK-BPLDGKMQSA-N 2 0 268.401 1.526 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903446012 625999185 /nfs/dbraw/zinc/99/91/85/625999185.db2.gz RCVQPESSGHXZIW-ILXRZTDVSA-N 3 0 253.434 1.506 10 0 CDAERP COc1ccccc1[C@@H]1C[NH2+]CCN1C[C@H]1CCC[NH2+]1 ZINC000903449850 625999949 /nfs/dbraw/zinc/99/99/49/625999949.db2.gz IUEXKWQZEGYAEI-HIFRSBDPSA-N 2 0 275.396 1.394 10 0 CDAERP C(C[NH2+][C@@H]1CC[NH2+]C12CCC2)COC[C@@H]1CCCO1 ZINC000903470134 626003747 /nfs/dbraw/zinc/00/37/47/626003747.db2.gz GLOJSQISRQJVPS-UONOGXRCSA-N 2 0 268.401 1.446 10 0 CDAERP CCOC(=O)CCCCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903471203 626004056 /nfs/dbraw/zinc/00/40/56/626004056.db2.gz RTFPCACOGFNMRF-CYBMUJFWSA-N 2 0 268.401 1.984 10 0 CDAERP C(C[NH2+][C@H]1CC[NH2+]C12CCCC2)CO[C@@H]1CCOC1 ZINC000903484210 626007407 /nfs/dbraw/zinc/00/74/07/626007407.db2.gz PREOZRCODGSTJE-KGLIPLIRSA-N 2 0 268.401 1.446 10 0 CDAERP COCCCCC[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903493712 626011164 /nfs/dbraw/zinc/01/11/64/626011164.db2.gz VWWJQHGCYWMWCT-GUTXKFCHSA-N 2 0 284.400 1.015 10 0 CDAERP COCCCCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903508892 626012446 /nfs/dbraw/zinc/01/24/46/626012446.db2.gz YSXBFVJNCSFOIK-IYBDPMFKSA-N 2 0 281.444 1.314 10 0 CDAERP Cn1nccc1[C@@H]1CCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000903566033 626021322 /nfs/dbraw/zinc/02/13/22/626021322.db2.gz HPABQNQSOPHORP-HNNXBMFYSA-N 2 0 262.401 1.947 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[NH+]2C[C@H](C)C[C@@H](C)C2)cnn1C ZINC000903872075 626126900 /nfs/dbraw/zinc/12/69/00/626126900.db2.gz CNUYQZLHGUBPQC-UMVBOHGHSA-N 2 0 278.444 1.824 10 0 CDAERP CC[N@H+](CCC(=O)OC)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903885127 626133143 /nfs/dbraw/zinc/13/31/43/626133143.db2.gz FAWWPOUZBSNGLK-YHWZYXNKSA-N 2 0 254.374 1.402 10 0 CDAERP COC(=O)C[C@@H]1CCC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903895385 626135856 /nfs/dbraw/zinc/13/58/56/626135856.db2.gz NANAXMYMUOSEPN-GSPSYOTPSA-N 2 0 266.385 1.545 10 0 CDAERP CSCC[C@H](C)[N@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903897441 626136923 /nfs/dbraw/zinc/13/69/23/626136923.db2.gz ZARMGUGAHOILEG-QWHCGFSZSA-N 2 0 297.472 1.776 10 0 CDAERP CC1(C[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]CC1 ZINC000903918527 626146085 /nfs/dbraw/zinc/14/60/85/626146085.db2.gz AYCUEPZZGVGCAM-AGUYFDCRSA-N 3 0 251.418 1.496 10 0 CDAERP c1ncn(-c2cccc(C[NH2+]CC3C[C@H]4CC[C@@H](C3)[NH2+]4)c2)n1 ZINC000903919938 626146582 /nfs/dbraw/zinc/14/65/82/626146582.db2.gz GIAVROLYMOGUTK-MQVJKMGUSA-N 2 0 297.406 1.888 10 0 CDAERP c1cnn(-c2cc(C[NH2+]CC3C[C@H]4CC[C@@H](C3)[NH2+]4)ccn2)c1 ZINC000903923110 626148220 /nfs/dbraw/zinc/14/82/20/626148220.db2.gz LKWCNLHRUJLORL-MQVJKMGUSA-N 2 0 297.406 1.888 10 0 CDAERP CC1(C)OC[C@@H]2C[C@@]21[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903936165 626154394 /nfs/dbraw/zinc/15/43/94/626154394.db2.gz YVRGWRFKEZDDMD-AFDWVFOBSA-N 2 0 250.386 1.674 10 0 CDAERP C[C@@H](CC1CCC1)[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903937932 626155971 /nfs/dbraw/zinc/15/59/71/626155971.db2.gz VROLXEKKOKHNTQ-GXTWGEPZSA-N 2 0 277.416 1.871 10 0 CDAERP CO[C@@H]1CC[N@H+](C[C@H](C[NH3+])Cc2cnn(C)c2C)[C@@H](C)C1 ZINC000903915861 626156663 /nfs/dbraw/zinc/15/66/63/626156663.db2.gz COQIEWRDGDJYEA-DUVNUKRYSA-N 2 0 294.443 1.345 10 0 CDAERP C[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCC[NH2+]C1 ZINC000903918313 626157859 /nfs/dbraw/zinc/15/78/59/626157859.db2.gz WOZGHEKJEDGHBH-ZWBVZUSMSA-N 3 0 251.418 1.495 10 0 CDAERP FC1(F)CC[NH2+]C[C@H]1CNC1CC[NH+](CC2CC2)CC1 ZINC000903957440 626158039 /nfs/dbraw/zinc/15/80/39/626158039.db2.gz QYYOEUBOCIKOSD-ZDUSSCGKSA-N 2 0 287.398 1.695 10 0 CDAERP FC1(F)CC[NH2+]C[C@@H]1CNCc1ccc2c(c1)C[NH2+]CC2 ZINC000903955719 626166999 /nfs/dbraw/zinc/16/69/99/626166999.db2.gz ARGGSOOAJXWHBH-OAHLLOKOSA-N 2 0 295.377 1.667 10 0 CDAERP CON1CC[C@H](N[C@H](CC[NH+](C)C)C(C)(C)C)C1=O ZINC000905004324 626372393 /nfs/dbraw/zinc/37/23/93/626372393.db2.gz HDUZORMGTLLXCY-NWDGAFQWSA-N 2 0 271.405 1.105 10 0 CDAERP [NH3+]C[C@H](c1nc(CC2CC[NH2+]CC2)no1)c1ccccc1 ZINC000905319222 626746667 /nfs/dbraw/zinc/74/66/67/626746667.db2.gz WRBGIVVUNLUTHO-AWEZNQCLSA-N 2 0 286.379 1.702 10 0 CDAERP C[NH2+]CCOc1ccccc1-c1nc(C[C@@H](C)[NH2+]C)no1 ZINC000905305910 626756828 /nfs/dbraw/zinc/75/68/28/626756828.db2.gz ZSYXZFFJXNACNY-LLVKDONJSA-N 2 0 290.367 1.485 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912902016 630293934 /nfs/dbraw/zinc/29/39/34/630293934.db2.gz IKAPGPIBJYVLPL-CHWSQXEVSA-N 2 0 265.401 1.166 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000913288210 630436847 /nfs/dbraw/zinc/43/68/47/630436847.db2.gz BQXLIYOISXAACD-GASCZTMLSA-N 2 0 267.417 1.127 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CNC(=S)N[C@H]1CCC[NH+](C)C1 ZINC000918718872 632428043 /nfs/dbraw/zinc/42/80/43/632428043.db2.gz HUVWKLKHLVHUFJ-STQMWFEESA-N 2 0 284.473 1.029 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCOC1CCOCC1 ZINC000925467303 632609759 /nfs/dbraw/zinc/60/97/59/632609759.db2.gz SAMHQMDXQNLROR-MZBDJJRSSA-N 2 0 282.428 1.502 10 0 CDAERP CC1(C)[C@H]([NH2+]CCC(=O)N2CCCCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925477373 632720374 /nfs/dbraw/zinc/72/03/74/632720374.db2.gz QEWDSZUVIGIKNM-VNQPRFMTSA-N 2 0 293.455 1.755 10 0 CDAERP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC000692962887 1158468573 /nfs/dbraw/zinc/46/85/73/1158468573.db2.gz SWGDXFVRENFUAH-HOTGVXAUSA-N 2 0 266.429 1.955 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001266530187 1158593588 /nfs/dbraw/zinc/59/35/88/1158593588.db2.gz YSSXYIBFEPAVOP-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@]2(CCOC2=O)C1 ZINC001655919686 1158668122 /nfs/dbraw/zinc/66/81/22/1158668122.db2.gz WGRGBMKVWDPSAD-TZMCWYRMSA-N 2 0 252.358 1.110 10 0 CDAERP c1cnc(C2([NH2+]CC[C@H]3CC[NH2+]C3)CCOCC2)nc1 ZINC001772529205 1158718282 /nfs/dbraw/zinc/71/82/82/1158718282.db2.gz XWTCLMJFVNBNIP-CYBMUJFWSA-N 2 0 276.384 1.072 10 0 CDAERP COCC[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001266724641 1158790641 /nfs/dbraw/zinc/79/06/41/1158790641.db2.gz WMFLCWPDTDGPFE-HNNXBMFYSA-N 2 0 297.443 1.088 10 0 CDAERP CC[NH2+][C@@H]1CC[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001691229862 1158968620 /nfs/dbraw/zinc/96/86/20/1158968620.db2.gz IFSIVVJCKNSEKZ-QWHCGFSZSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001715520543 1159763835 /nfs/dbraw/zinc/76/38/35/1159763835.db2.gz GZKDLNHVVNJTGD-STQMWFEESA-N 2 0 255.406 1.219 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]CC1CCC1 ZINC001691622859 1160721272 /nfs/dbraw/zinc/72/12/72/1160721272.db2.gz BUAPRBHMGNXYFJ-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N[C@H]3CC[NH+](C)[C@H]3C)C[N@@H+]2C1 ZINC001649350008 1161524676 /nfs/dbraw/zinc/52/46/76/1161524676.db2.gz XMVLNGJFBIGNGJ-QTVXIADOSA-N 2 0 279.428 1.316 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)[C@H](C)C1 ZINC000872285828 1165410903 /nfs/dbraw/zinc/41/09/03/1165410903.db2.gz JAMHEMSXGCMLQC-NJURLYQPSA-N 2 0 279.428 1.303 10 0 CDAERP [NH3+][C@H]1CCCC[C@H]1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC001645852541 1167536673 /nfs/dbraw/zinc/53/66/73/1167536673.db2.gz WZIAENTXCDWLEY-OLZOCXBDSA-N 2 0 291.370 1.927 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCCC[C@H]1C ZINC001646313640 1167768931 /nfs/dbraw/zinc/76/89/31/1167768931.db2.gz PPRMZVGXLXASHT-CABCVRRESA-N 2 0 281.444 1.850 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001566587428 1168347970 /nfs/dbraw/zinc/34/79/70/1168347970.db2.gz FMDDGDDBDWKTHN-OAHLLOKOSA-N 2 0 279.428 1.319 10 0 CDAERP [NH3+][C@H]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC001647229667 1168471250 /nfs/dbraw/zinc/47/12/50/1168471250.db2.gz KHPAXJUAGQMVHF-CABCVRRESA-N 2 0 273.380 1.788 10 0 CDAERP CC(C)C[NH2+]CC(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC001647256896 1168495306 /nfs/dbraw/zinc/49/53/06/1168495306.db2.gz XAQILSQLZCFYRJ-KFWWJZLASA-N 2 0 297.443 1.119 10 0 CDAERP CC(C)[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001567017195 1168511211 /nfs/dbraw/zinc/51/12/11/1168511211.db2.gz VTJDMKNHPWUHRP-QWHCGFSZSA-N 2 0 255.406 1.362 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+]CCF)C1 ZINC001567151494 1168599389 /nfs/dbraw/zinc/59/93/89/1168599389.db2.gz QJXIDFCJJBCJNR-CYBMUJFWSA-N 2 0 273.396 1.126 10 0 CDAERP CC(C)(C)[NH+]1CCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC001649928595 1169505422 /nfs/dbraw/zinc/50/54/22/1169505422.db2.gz ZCCXXLROUBSFES-CYBMUJFWSA-N 2 0 294.443 1.397 10 0 CDAERP CO[C@H](C)C[NH2+]C/C=C/CNC(=O)CC1CC[NH+](C)CC1 ZINC001568930506 1169553233 /nfs/dbraw/zinc/55/32/33/1169553233.db2.gz HTXUKVULMMQEEM-ISZGNANSSA-N 2 0 297.443 1.015 10 0 CDAERP CC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001569247588 1169734709 /nfs/dbraw/zinc/73/47/09/1169734709.db2.gz VKXBHJBSWGOQDF-KBPBESRZSA-N 2 0 267.417 1.461 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CC)C1 ZINC001569851938 1170012542 /nfs/dbraw/zinc/01/25/42/1170012542.db2.gz BZFUEAXUUIWOBL-OLZOCXBDSA-N 2 0 255.406 1.032 10 0 CDAERP CC[NH2+]CC[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001570008065 1170057903 /nfs/dbraw/zinc/05/79/03/1170057903.db2.gz DHBMBEHOXHWMDE-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP CCOCC[NH+]1CC([C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001570860064 1170304130 /nfs/dbraw/zinc/30/41/30/1170304130.db2.gz LKPDQTIQYIILJF-ZFWWWQNUSA-N 2 0 299.459 1.046 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C1C[NH+](C(C)C)C1 ZINC001570864051 1170305536 /nfs/dbraw/zinc/30/55/36/1170305536.db2.gz RDJZYAIFUIQPDC-LBPRGKRZSA-N 2 0 255.406 1.172 10 0 CDAERP CC[NH2+][C@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001571419898 1170420826 /nfs/dbraw/zinc/42/08/26/1170420826.db2.gz ZSIPTNGCVHEMBY-KGLIPLIRSA-N 2 0 269.433 1.563 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](C)CC2(C)C)CC[N@@H+]1C ZINC001652491466 1171442327 /nfs/dbraw/zinc/44/23/27/1171442327.db2.gz JRFNKKNLVOVQMM-RWMBFGLXSA-N 2 0 267.417 1.173 10 0 CDAERP CCC[NH2+][C@@H]1CCCCCN(C(=O)CC[NH+](C)C)C1 ZINC001656900147 1171894792 /nfs/dbraw/zinc/89/47/92/1171894792.db2.gz YWYMSDYNNVSYMX-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NCCC[C@@H]2CCC[NH+]2CCCF)C1 ZINC001663123470 1172637655 /nfs/dbraw/zinc/63/76/55/1172637655.db2.gz HDYVCHASDGFZPN-HUUCEWRRSA-N 2 0 299.434 1.659 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCOC(C)C ZINC001665808812 1173064822 /nfs/dbraw/zinc/06/48/22/1173064822.db2.gz GKNFEPLOXUXSHL-HUUCEWRRSA-N 2 0 299.459 1.380 10 0 CDAERP CCN(CC[NH2+]CCF)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001668574203 1173427947 /nfs/dbraw/zinc/42/79/47/1173427947.db2.gz IOYSGZABRKDSCS-AWEZNQCLSA-N 2 0 287.423 1.659 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)CC=C(C)C)[NH+](C)C ZINC001669832026 1173616407 /nfs/dbraw/zinc/61/64/07/1173616407.db2.gz AICROUPKVQTHNT-UONOGXRCSA-N 2 0 269.433 1.729 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@H](C[NH2+]CCF)C2CCCC2)C1 ZINC001671555166 1173688625 /nfs/dbraw/zinc/68/86/25/1173688625.db2.gz WZNURCOWVIWKSV-UKRRQHHQSA-N 2 0 299.434 1.562 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001672978746 1173814469 /nfs/dbraw/zinc/81/44/69/1173814469.db2.gz MPRVRILAILVALR-JOCQHMNTSA-N 2 0 255.406 1.223 10 0 CDAERP CC(C)[NH2+][C@@H](C)CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001674199302 1173923022 /nfs/dbraw/zinc/92/30/22/1173923022.db2.gz AEQAMQOWKNOQHU-UONOGXRCSA-N 2 0 269.433 1.754 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCC)CC1(C)C ZINC001675481489 1174119331 /nfs/dbraw/zinc/11/93/31/1174119331.db2.gz ZZHGVWFVBXEBNN-CYBMUJFWSA-N 2 0 269.433 1.565 10 0 CDAERP CCC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001691757692 1174449597 /nfs/dbraw/zinc/44/95/97/1174449597.db2.gz KQQHWZAPDDMAQD-BETUJISGSA-N 2 0 255.406 1.221 10 0 CDAERP COCCC[NH2+][C@H]1CCCCCN(C(=O)CC[NH+](C)C)C1 ZINC001689267903 1175132722 /nfs/dbraw/zinc/13/27/22/1175132722.db2.gz TZTLMWUGCMHEQL-HNNXBMFYSA-N 2 0 299.459 1.335 10 0 CDAERP COCC[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001690368398 1175451617 /nfs/dbraw/zinc/45/16/17/1175451617.db2.gz WMIPCUDXVGWRJX-GASCZTMLSA-N 2 0 297.443 1.136 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CC[C@@H](C[NH2+]CCF)C2)CC[N@@H+]1C ZINC001690732444 1175558001 /nfs/dbraw/zinc/55/80/01/1175558001.db2.gz JXWBYNUOVLTEGS-IHRRRGAJSA-N 2 0 285.407 1.124 10 0 CDAERP CC[N@H+](C)CCC(=O)NC1C[NH+](CCCC(C)C)C1 ZINC001692249758 1175714081 /nfs/dbraw/zinc/71/40/81/1175714081.db2.gz ZHCNKIPWKPDGLN-UHFFFAOYSA-N 2 0 269.433 1.565 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCOC(C)C ZINC001698600288 1175866697 /nfs/dbraw/zinc/86/66/97/1175866697.db2.gz JECWFPVFUZTSGZ-QLFBSQMISA-N 2 0 299.459 1.236 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CCCF ZINC001698599696 1175866864 /nfs/dbraw/zinc/86/68/64/1175866864.db2.gz FMWHRIBDPIOBND-ZIAGYGMSSA-N 2 0 285.407 1.172 10 0 CDAERP CCC[NH2+]CC[C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001698681807 1175893653 /nfs/dbraw/zinc/89/36/53/1175893653.db2.gz FJCKHTISPNMEBE-HZPDHXFCSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001698829736 1175953264 /nfs/dbraw/zinc/95/32/64/1175953264.db2.gz ZQSZVSNDRZNKBW-AWEZNQCLSA-N 2 0 283.460 1.953 10 0 CDAERP CC[NH2+]C/C=C\CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001699269998 1176189421 /nfs/dbraw/zinc/18/94/21/1176189421.db2.gz CNXNQWPULHOTPM-DSYXLKISSA-N 2 0 253.390 1.143 10 0 CDAERP CC/C=C/CC[NH2+]C[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001699380322 1176339979 /nfs/dbraw/zinc/33/99/79/1176339979.db2.gz IUVLQDBKJIZODF-ICWYTKJFSA-N 2 0 281.444 1.779 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001699398391 1176361852 /nfs/dbraw/zinc/36/18/52/1176361852.db2.gz RWUFEFVMHVYRNG-STQMWFEESA-N 2 0 255.406 1.221 10 0 CDAERP C[C@@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001699403923 1176369693 /nfs/dbraw/zinc/36/96/93/1176369693.db2.gz SNPCDBIOMQLMNK-ZFWWWQNUSA-N 2 0 295.471 1.859 10 0 CDAERP CCCC[NH2+]C[C@]1(C)CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001699854131 1176657498 /nfs/dbraw/zinc/65/74/98/1176657498.db2.gz QTXMBWZOPXGESI-INIZCTEOSA-N 2 0 283.460 1.957 10 0 CDAERP CC[NH2+]CCC[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001700673925 1177069163 /nfs/dbraw/zinc/06/91/63/1177069163.db2.gz ZPBHQOYZKLWYLU-GFCCVEGCSA-N 2 0 255.406 1.223 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1C[C@H]([NH2+]CCCF)C1 ZINC001707092303 1177948485 /nfs/dbraw/zinc/94/84/85/1177948485.db2.gz TTXUIBPKTILIHK-RBSFLKMASA-N 2 0 299.434 1.705 10 0 CDAERP CC(C)=CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001707269204 1177987147 /nfs/dbraw/zinc/98/71/47/1177987147.db2.gz SKKDOWVZFMGILT-CABCVRRESA-N 2 0 281.444 1.872 10 0 CDAERP CCC[NH2+]C[C@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001724243026 1178163979 /nfs/dbraw/zinc/16/39/79/1178163979.db2.gz BUWLYBRTUSMFDQ-AWEZNQCLSA-N 2 0 255.406 1.176 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000234224158 1178215440 /nfs/dbraw/zinc/21/54/40/1178215440.db2.gz HZWCCVJXFLOFPV-GFCCVEGCSA-N 2 0 255.406 1.175 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001713150121 1178396714 /nfs/dbraw/zinc/39/67/14/1178396714.db2.gz ALLGDPIXYVGHET-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CC/C=C/CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001713205503 1178431783 /nfs/dbraw/zinc/43/17/83/1178431783.db2.gz MDJYZOJQGTYOFC-XWYFBGFKSA-N 2 0 293.455 1.921 10 0 CDAERP CCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001713382789 1178529673 /nfs/dbraw/zinc/52/96/73/1178529673.db2.gz UGVMOQHTMBZZFG-HUUCEWRRSA-N 2 0 281.444 1.899 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001713540889 1178635356 /nfs/dbraw/zinc/63/53/56/1178635356.db2.gz DDILCVYJRFOXLB-QGZUEGPWSA-N 2 0 293.455 1.877 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]CCC1CC1 ZINC001713609804 1178679836 /nfs/dbraw/zinc/67/98/36/1178679836.db2.gz UALYKICABWXHKT-MRXNPFEDSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001713824423 1178776681 /nfs/dbraw/zinc/77/66/81/1178776681.db2.gz GVWOUYDNBUVFGU-KGLIPLIRSA-N 2 0 267.417 1.460 10 0 CDAERP CCC[NH2+][C@@H](CNC(=O)C[N@H+](C)C(C)C)C1CC1 ZINC001713886458 1178817362 /nfs/dbraw/zinc/81/73/62/1178817362.db2.gz UZKLQTMMZPUITC-ZDUSSCGKSA-N 2 0 255.406 1.221 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001713966263 1178897212 /nfs/dbraw/zinc/89/72/12/1178897212.db2.gz PBKKOGHBYNTEJS-MGPQQGTHSA-N 2 0 265.401 1.141 10 0 CDAERP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)C[NH2+]CCCF ZINC001714398069 1179122819 /nfs/dbraw/zinc/12/28/19/1179122819.db2.gz TXAFRPZLBRCZDA-GFCCVEGCSA-N 2 0 273.396 1.172 10 0 CDAERP C[C@@H](C[NH2+]CC1CC1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001714750828 1179375556 /nfs/dbraw/zinc/37/55/56/1179375556.db2.gz OHOVELSRDOTBFW-OLZOCXBDSA-N 2 0 267.417 1.175 10 0 CDAERP C[C@H](C[NH2+]CCC1CC1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001714750995 1179376326 /nfs/dbraw/zinc/37/63/26/1179376326.db2.gz PGRSOBWSCUORBB-ZIAGYGMSSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001715023519 1179513658 /nfs/dbraw/zinc/51/36/58/1179513658.db2.gz NTBNYNKYXSJRLX-CYBMUJFWSA-N 2 0 255.406 1.127 10 0 CDAERP C[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CCCO)[NH+]1CCCCCC1 ZINC001715364801 1179643963 /nfs/dbraw/zinc/64/39/63/1179643963.db2.gz DNZXUYAMIUWYPO-LSDHHAIUSA-N 2 0 299.459 1.070 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001715367708 1179645197 /nfs/dbraw/zinc/64/51/97/1179645197.db2.gz XOFWIYBWPPDAHS-HUUCEWRRSA-N 2 0 281.444 1.731 10 0 CDAERP CC(C)CC[NH2+]C/C=C/CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001715817376 1179841974 /nfs/dbraw/zinc/84/19/74/1179841974.db2.gz KWNOBXDWAMMLNX-QDLOVBKTSA-N 2 0 293.455 1.636 10 0 CDAERP CCC[NH2+]C/C=C\CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001715831284 1179857102 /nfs/dbraw/zinc/85/71/02/1179857102.db2.gz AMYRQMMQGFCCLI-WAYWQWQTSA-N 2 0 297.443 1.017 10 0 CDAERP CCC[NH2+]C[C@@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001715942776 1179932401 /nfs/dbraw/zinc/93/24/01/1179932401.db2.gz XEKJFTFLAWDWFN-CQSZACIVSA-N 2 0 291.439 1.909 10 0 CDAERP C[C@H](C[NH2+]C/C=C/Cl)NC(=O)C[NH+]1CCC(C)CC1 ZINC001715952915 1179937479 /nfs/dbraw/zinc/93/74/79/1179937479.db2.gz LSNKNHYDQMYKCR-VUUYWXRKSA-N 2 0 287.835 1.565 10 0 CDAERP C[C@@H](CC[NH2+]CC1CC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001716153515 1180075118 /nfs/dbraw/zinc/07/51/18/1180075118.db2.gz MACFNKXTEKGAQR-ZDUSSCGKSA-N 2 0 279.428 1.509 10 0 CDAERP CCN(CC[NH2+]C[C@@H](C)OC)C(=O)C12CCC[NH+]1CCC2 ZINC001716227235 1180110654 /nfs/dbraw/zinc/11/06/54/1180110654.db2.gz JQWBQQVKVIOEBJ-CQSZACIVSA-N 2 0 297.443 1.088 10 0 CDAERP CCC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001716248706 1180118996 /nfs/dbraw/zinc/11/89/96/1180118996.db2.gz IQZJHKKAIMPODR-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP CC1CC(C[NH2+]C/C=C\CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001716307490 1180149428 /nfs/dbraw/zinc/14/94/28/1180149428.db2.gz YKCPBBDUGIVLKM-ARJAWSKDSA-N 2 0 293.455 1.779 10 0 CDAERP CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1CCC)C1CC1 ZINC001716612347 1180305522 /nfs/dbraw/zinc/30/55/22/1180305522.db2.gz DKOMQOJISDUICH-HUUCEWRRSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)[NH+](C)C ZINC000164346697 1180672282 /nfs/dbraw/zinc/67/22/82/1180672282.db2.gz WZZWZTSQMOEAOT-LSDHHAIUSA-N 2 0 281.444 1.707 10 0 CDAERP CCC[N@H+](C)CCC(=O)NC[C@@H]1[C@H]2C[NH+](CC)C[C@H]21 ZINC001717605615 1180756137 /nfs/dbraw/zinc/75/61/37/1180756137.db2.gz LVCZPLCHGJPWEC-ZSOGYDGISA-N 2 0 267.417 1.032 10 0 CDAERP CCCC[NH2+][C@H](C)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001717749732 1180827451 /nfs/dbraw/zinc/82/74/51/1180827451.db2.gz JGWJHBHMAWAFMZ-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]CC2CCC2)CN1C(=O)CC[NH+](C)C ZINC001717821721 1180877869 /nfs/dbraw/zinc/87/78/69/1180877869.db2.gz JEUFQZBCVNYSMM-GXTWGEPZSA-N 2 0 267.417 1.317 10 0 CDAERP CC(C)[NH+](C)CC(=O)N[C@H](C)C[N@H+](C)CCC1CC1 ZINC001722917586 1181493153 /nfs/dbraw/zinc/49/31/53/1181493153.db2.gz VOTJSFRDROJERT-CYBMUJFWSA-N 2 0 269.433 1.563 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@@H]2CCCC[C@H]2C[NH2+]CCF)CC1 ZINC001722946792 1181498776 /nfs/dbraw/zinc/49/87/76/1181498776.db2.gz XFVNUMNAFSOIQM-UONOGXRCSA-N 2 0 299.434 1.562 10 0 CDAERP CC1CC[NH+](CC(=O)N[C@@H](C[NH2+]CCF)C2CC2)CC1 ZINC001723341419 1181540949 /nfs/dbraw/zinc/54/09/49/1181540949.db2.gz OMOBDACGXMDYMN-AWEZNQCLSA-N 2 0 285.407 1.172 10 0 CDAERP CCC[N@H+](C)CCC(=O)NCC1([NH2+]C(C)C)CC1 ZINC001723581399 1181589747 /nfs/dbraw/zinc/58/97/47/1181589747.db2.gz OBEQOXFUFUHIEP-UHFFFAOYSA-N 2 0 255.406 1.365 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NC2(C[NH2+]CCCF)CCCCC2)C1 ZINC001725229791 1181928663 /nfs/dbraw/zinc/92/86/63/1181928663.db2.gz QPFYDWFRLAOXER-AWEZNQCLSA-N 2 0 299.434 1.706 10 0 CDAERP COCC[NH2+][C@@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001725523794 1182036198 /nfs/dbraw/zinc/03/61/98/1182036198.db2.gz NDNHCSHGNSAIII-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]CCF)C(C)(C)C ZINC001725746697 1182119933 /nfs/dbraw/zinc/11/99/33/1182119933.db2.gz GSWJBFZEZJQDEW-LLVKDONJSA-N 2 0 261.385 1.028 10 0 CDAERP CCC[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001731250067 1182275696 /nfs/dbraw/zinc/27/56/96/1182275696.db2.gz RECFINXGYSCFPD-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccccc1 ZINC001731614463 1182480462 /nfs/dbraw/zinc/48/04/62/1182480462.db2.gz IULFKEOPDOFXBU-ZDUSSCGKSA-N 2 0 263.385 1.233 10 0 CDAERP CC[NH2+]CCC1CCN(C(=O)Cn2ccnc2)CC1 ZINC001732303541 1182899294 /nfs/dbraw/zinc/89/92/94/1182899294.db2.gz STPMACXUYFJYDR-UHFFFAOYSA-N 2 0 264.373 1.121 10 0 CDAERP C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C[NH2+]CCF ZINC001732349342 1182921599 /nfs/dbraw/zinc/92/15/99/1182921599.db2.gz RPUVXMVMHWWIPP-STQMWFEESA-N 2 0 273.396 1.172 10 0 CDAERP CC(C)OCC[NH2+]C[C@@H](C)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001732447145 1182971349 /nfs/dbraw/zinc/97/13/49/1182971349.db2.gz DMFPHCZUHPDVBO-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001732695189 1183090214 /nfs/dbraw/zinc/09/02/14/1183090214.db2.gz SCLHEHCQXLDFHF-RWMBFGLXSA-N 2 0 255.406 1.221 10 0 CDAERP CC[NH2+]C/C=C/CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001732899435 1183176383 /nfs/dbraw/zinc/17/63/83/1183176383.db2.gz JNOKKUMKJBXYJM-BQYQJAHWSA-N 2 0 255.406 1.246 10 0 CDAERP C[C@H](C[NH2+]CC[C@H]1CCCCO1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001732968617 1183210422 /nfs/dbraw/zinc/21/04/22/1183210422.db2.gz SEIJYBXVLJCTKV-RBSFLKMASA-N 2 0 297.443 1.134 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CCC[NH2+]C(C)C)C1 ZINC001733121712 1183297522 /nfs/dbraw/zinc/29/75/22/1183297522.db2.gz JVXVRTORTLDNBS-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)OCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001733240891 1183364561 /nfs/dbraw/zinc/36/45/61/1183364561.db2.gz WBOYSZIIFUXRFW-AWEZNQCLSA-N 2 0 297.443 1.134 10 0 CDAERP CC[C@@H](C)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001733270237 1183376919 /nfs/dbraw/zinc/37/69/19/1183376919.db2.gz YASGVESLMQPMJL-OLZOCXBDSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@H]1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1CCF ZINC001733903147 1183563099 /nfs/dbraw/zinc/56/30/99/1183563099.db2.gz VEPVOBGVYONLSH-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1CCF ZINC001733903151 1183563150 /nfs/dbraw/zinc/56/31/50/1183563150.db2.gz VEPVOBGVYONLSH-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCF)C1 ZINC001734212219 1183692199 /nfs/dbraw/zinc/69/21/99/1183692199.db2.gz MMVXVVSFMFPGLW-RBSFLKMASA-N 2 0 299.434 1.561 10 0 CDAERP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CC1CCC1 ZINC001734341298 1183739870 /nfs/dbraw/zinc/73/98/70/1183739870.db2.gz NNNNKFUWXBBPRJ-LBPRGKRZSA-N 2 0 255.406 1.175 10 0 CDAERP CCOCC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)CC1(C)C ZINC001734502817 1183801852 /nfs/dbraw/zinc/80/18/52/1183801852.db2.gz NUZJOOKJGSELDL-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP CCOCC[NH+]1CCC([C@H](C)NC(=O)CC[NH+](C)C)CC1 ZINC001734586784 1183835878 /nfs/dbraw/zinc/83/58/78/1183835878.db2.gz ZPARLUIIIQLLAF-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1ccc(C[NH3+])cc1 ZINC001771754022 1186860367 /nfs/dbraw/zinc/86/03/67/1186860367.db2.gz CIRVSNNHRZDJCT-CABCVRRESA-N 2 0 275.396 1.748 10 0 CDAERP CC[NH+](CC)CCCC1CC[NH+](C[C@@H](O)CO)CC1 ZINC001771946553 1186973086 /nfs/dbraw/zinc/97/30/86/1186973086.db2.gz LIPZZRJUVRFHOS-OAHLLOKOSA-N 2 0 272.433 1.174 10 0 CDAERP CSCC[C@@H]([NH3+])C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000870994922 1165251529 /nfs/dbraw/zinc/25/15/29/1165251529.db2.gz YFKKVBACJTYAJV-BXUZGUMPSA-N 2 0 287.473 1.290 10 0 CDAERP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857853953 790341885 /nfs/dbraw/zinc/34/18/85/790341885.db2.gz WIOPDKYYEVLOMP-JSGCOSHPSA-N 2 0 277.416 1.013 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)c2coc(C[NH3+])c2)C1 ZINC000870994702 790347876 /nfs/dbraw/zinc/34/78/76/790347876.db2.gz UAPWJSMXHMFEBA-OAHLLOKOSA-N 2 0 279.384 1.575 10 0 CDAERP C[C@H]([NH2+][C@@H]1CC(=O)N(CC2CC2)C1)C1CC[NH+](C)CC1 ZINC000716771337 790428355 /nfs/dbraw/zinc/42/83/55/790428355.db2.gz CCCSRRNSRKEUJT-SWLSCSKDSA-N 2 0 279.428 1.317 10 0 CDAERP CC(C)[C@@](C)(O)C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925610689 790576398 /nfs/dbraw/zinc/57/63/98/790576398.db2.gz GYFWMUGZQSHTIA-OSFYFWSMSA-N 2 0 254.418 1.760 10 0 CDAERP C[NH+](C)C1(CNC(=O)N2CC[N@H+](C)C(C)(C)CC2)CC1 ZINC000922983242 790627069 /nfs/dbraw/zinc/62/70/69/790627069.db2.gz ZKDMNURXCSJYKK-UHFFFAOYSA-N 2 0 282.432 1.206 10 0 CDAERP [NH3+]CCCCCC[NH2+][C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC000857087846 790711114 /nfs/dbraw/zinc/71/11/14/790711114.db2.gz WHSHCJGPHPPVQB-OAHLLOKOSA-N 2 0 296.436 1.765 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H](Cn1ccnc1)C(C)(C)C ZINC000234699729 790784867 /nfs/dbraw/zinc/78/48/67/790784867.db2.gz ZQMUSQLMDBJXGT-UONOGXRCSA-N 2 0 282.432 1.641 10 0 CDAERP C[C@H](CNC(=O)C[N@H+](C)CC1CC1)[NH+](C)CC1CC1 ZINC000929289387 790824072 /nfs/dbraw/zinc/82/40/72/790824072.db2.gz AAXJDMSBNQSUNG-GFCCVEGCSA-N 2 0 267.417 1.175 10 0 CDAERP Cc1nccn1CCC[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720807866 790829684 /nfs/dbraw/zinc/82/96/84/790829684.db2.gz AQXBZSYEXWMMPW-NEPJUHHUSA-N 2 0 290.333 1.651 10 0 CDAERP C[NH+](C)C1CCN(C(=O)c2ccc3c(c2)C[NH2+]C3)CC1 ZINC000156660278 790834192 /nfs/dbraw/zinc/83/41/92/790834192.db2.gz MRWDZRJKGXDVCX-UHFFFAOYSA-N 2 0 273.380 1.456 10 0 CDAERP C(C[NH2+]C1CC1)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000923355729 790866288 /nfs/dbraw/zinc/86/62/88/790866288.db2.gz BFCWNEKEAMEJGQ-AWEZNQCLSA-N 3 0 251.418 1.450 10 0 CDAERP COC[C@@H](O)C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923509918 790938114 /nfs/dbraw/zinc/93/81/14/790938114.db2.gz ULHVNRCVBPSKEG-HIFRSBDPSA-N 2 0 270.417 1.095 10 0 CDAERP C[N@H+](CCc1ccc(C(N)=O)cc1)C1CCC([NH3+])CC1 ZINC000866661060 791118243 /nfs/dbraw/zinc/11/82/43/791118243.db2.gz KXQWTFNSSODQAU-UHFFFAOYSA-N 2 0 275.396 1.530 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(C)(C)[C@H]([NH3+])C(C)C ZINC000713006651 789860768 /nfs/dbraw/zinc/86/07/68/789860768.db2.gz ASJPQMABFBSRDU-UONOGXRCSA-N 2 0 283.460 1.939 10 0 CDAERP C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000716631005 789895553 /nfs/dbraw/zinc/89/55/53/789895553.db2.gz AYEJIHFXOUTNFD-CAEXGNQWSA-N 2 0 252.402 1.325 10 0 CDAERP Cc1cc(F)ccc1[C@@H](O)C[NH2+]CCOCC[NH+](C)C ZINC000819210219 789895695 /nfs/dbraw/zinc/89/56/95/789895695.db2.gz AAYODGGQWHMPET-HNNXBMFYSA-N 2 0 284.375 1.335 10 0 CDAERP C[C@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)C1CC[NH+](C)CC1 ZINC000714330766 789896281 /nfs/dbraw/zinc/89/62/81/789896281.db2.gz NXZSSMSASRZPFL-JSGCOSHPSA-N 2 0 288.457 1.274 10 0 CDAERP F[C@@H](c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1)[C@H]1CC[NH2+]C1 ZINC000871801876 789897943 /nfs/dbraw/zinc/89/79/43/789897943.db2.gz YXHDNECWWWVBQZ-IYJVRESMSA-N 2 0 280.347 1.688 10 0 CDAERP CC(C)(O)C[C@@H](O)C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000871964855 789913489 /nfs/dbraw/zinc/91/34/89/789913489.db2.gz CMAXIHATQJSAMP-GFCCVEGCSA-N 2 0 272.433 1.407 10 0 CDAERP C[NH+]1CCC2(CCC[N@H+](C[C@@H](O)C3(O)CCC3)C2)CC1 ZINC000930309841 789922527 /nfs/dbraw/zinc/92/25/27/789922527.db2.gz OJEHXGWDLFXXJV-CQSZACIVSA-N 2 0 282.428 1.070 10 0 CDAERP CC[N@@H+]1CC[C@@H](CN[C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000925472269 789940203 /nfs/dbraw/zinc/94/02/03/789940203.db2.gz CUAXSPOKBBYTPP-LJISPDSOSA-N 2 0 265.445 1.694 10 0 CDAERP [NH3+][C@@H]1CC=C(c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)C1 ZINC000871801790 790036973 /nfs/dbraw/zinc/03/69/73/790036973.db2.gz WNAGUUNYNASHFX-RDFFEMEHSA-N 2 0 260.341 1.572 10 0 CDAERP Cc1nccn1CCC[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923451085 790037055 /nfs/dbraw/zinc/03/70/55/790037055.db2.gz LSZMDSDSVLNZQS-OAHLLOKOSA-N 2 0 292.427 1.411 10 0 CDAERP CC(=O)NCC1CCC([NH2+]C2CC([NH+](C)C)C2)CC1 ZINC000865613326 790053062 /nfs/dbraw/zinc/05/30/62/790053062.db2.gz RZRVCBNIHVEVHK-UHFFFAOYSA-N 2 0 267.417 1.364 10 0 CDAERP CC1CCC(N(C)C(=O)C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)CC1 ZINC000923498173 790071725 /nfs/dbraw/zinc/07/17/25/790071725.db2.gz FVKOQJMABQRRQM-PWUWZPNHSA-N 2 0 295.471 1.940 10 0 CDAERP C[C@H]([NH2+]CCOCC[NH2+][C@@H](C)c1cn[nH]c1)c1cn[nH]c1 ZINC000778141057 790075713 /nfs/dbraw/zinc/07/57/13/790075713.db2.gz UNRYMHOQCUZTFN-RYUDHWBXSA-N 2 0 292.387 1.151 10 0 CDAERP CN(CCC(=O)NOC1CC[NH+](C)CC1)c1cc[nH+]cc1 ZINC000854357766 790082575 /nfs/dbraw/zinc/08/25/75/790082575.db2.gz LJCGPZFLZOXKDU-UHFFFAOYSA-N 2 0 292.383 1.050 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+]CC[C@@H]1CCCS1(=O)=O ZINC000714358037 790106698 /nfs/dbraw/zinc/10/66/98/790106698.db2.gz SPXRHYOFCIIJJO-RYUDHWBXSA-N 2 0 262.419 1.061 10 0 CDAERP C[C@@H]([NH2+]CC[C@@H]1CCC2(CCOCC2)CO1)C1C[NH2+]C1 ZINC000925773744 790204342 /nfs/dbraw/zinc/20/43/42/790204342.db2.gz OXSLRYPVCXGKPM-HIFRSBDPSA-N 2 0 282.428 1.550 10 0 CDAERP C[N@H+](CCCCCC[NH3+])CCO[C@H]1CC1(F)F ZINC000710803086 790210467 /nfs/dbraw/zinc/21/04/67/790210467.db2.gz DOYYHFMRPKYRAV-NSHDSACASA-N 2 0 250.333 1.862 10 0 CDAERP CC[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1nccn1C ZINC000925844020 790251200 /nfs/dbraw/zinc/25/12/00/790251200.db2.gz IKQZDPLHZGCZOO-OAHLLOKOSA-N 2 0 293.459 1.536 10 0 CDAERP C(CC[NH2+]C1CCCCC1)CCN1CC[NH2+]CC1 ZINC000925850162 791155868 /nfs/dbraw/zinc/15/58/68/791155868.db2.gz UEDQQICSRSDDII-UHFFFAOYSA-N 2 0 253.434 1.984 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000868622153 791199574 /nfs/dbraw/zinc/19/95/74/791199574.db2.gz AZTXTMIEKVMOBF-SOUVJXGZSA-N 2 0 296.459 1.451 10 0 CDAERP CCO[C@@H]1C[N@H+](CCCCCCC[NH3+])C[C@H]1C[NH3+] ZINC000846225444 791214799 /nfs/dbraw/zinc/21/47/99/791214799.db2.gz BBYQTUPQIZAYPU-ZIAGYGMSSA-N 3 0 257.422 1.191 10 0 CDAERP CN1C[C@H]([NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CCC1=O ZINC000925509797 791229066 /nfs/dbraw/zinc/22/90/66/791229066.db2.gz QCFAWKMUSPQADU-QJPTWQEYSA-N 2 0 253.390 1.103 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cccnc1-n1ccnc1 ZINC000924641206 791253412 /nfs/dbraw/zinc/25/34/12/791253412.db2.gz QXFMIUIQHOUJJL-XYPWUTKMSA-N 2 0 297.406 1.697 10 0 CDAERP CC1(C)[C@H](O)CC[NH+]1CCC[N@H+]1CC[C@@H](O)C1(C)C ZINC000812866219 791258202 /nfs/dbraw/zinc/25/82/02/791258202.db2.gz ZNVNFKAUHFFBFA-CHWSQXEVSA-N 2 0 270.417 1.067 10 0 CDAERP C(C[N@@H+]1CCOC[C@@H]1CC1CC1)[C@@H]1CCC[NH2+]C1 ZINC000923554356 791265793 /nfs/dbraw/zinc/26/57/93/791265793.db2.gz NRVZLDLQONWPBL-GJZGRUSLSA-N 2 0 252.402 1.877 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@]23OCCC[C@H]2C3(F)F)C12CCC2 ZINC000925711151 791288644 /nfs/dbraw/zinc/28/86/44/791288644.db2.gz SSZLJEZEMMXCFM-UZWSLXQKSA-N 2 0 272.339 1.660 10 0 CDAERP CN(CCC[N@H+](C)CCc1ccns1)CC[NH+](C)C ZINC000930503915 791313685 /nfs/dbraw/zinc/31/36/85/791313685.db2.gz UVLZRPKEMCOZNN-UHFFFAOYSA-N 2 0 284.473 1.501 10 0 CDAERP C[C@@H]1CCCN(C(=O)C[N@H+](C)CCCCCC[NH3+])C1 ZINC000710818975 791343166 /nfs/dbraw/zinc/34/31/66/791343166.db2.gz NWXNDNJIYGDCOD-CQSZACIVSA-N 2 0 269.433 1.696 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000713010359 791365731 /nfs/dbraw/zinc/36/57/31/791365731.db2.gz QTKJBGGXTQKWOQ-NEPJUHHUSA-N 2 0 257.422 1.452 10 0 CDAERP Cc1ccccc1[C@@H](O)C[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000819034833 791402646 /nfs/dbraw/zinc/40/26/46/791402646.db2.gz SARFRPRTXPLUKO-RDJZCZTQSA-N 2 0 291.439 1.254 10 0 CDAERP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000094648285 791410186 /nfs/dbraw/zinc/41/01/86/791410186.db2.gz PUXYXOPGVKIIRU-GOEBONIOSA-N 2 0 293.455 1.709 10 0 CDAERP Cc1ccccc1[C@H](O)C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925480895 791457908 /nfs/dbraw/zinc/45/79/08/791457908.db2.gz HPDODIWWANTISM-RBSFLKMASA-N 2 0 260.381 1.888 10 0 CDAERP CC[C@H]1C[C@H](C[NH2+]CCCN(C)CC[NH+](C)C)CCO1 ZINC000857784077 791469607 /nfs/dbraw/zinc/46/96/07/791469607.db2.gz POCZWOWQKSXLIQ-CVEARBPZSA-N 2 0 285.476 1.665 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H]2CCc3c[nH]nc3C2)C1 ZINC000925616301 791483449 /nfs/dbraw/zinc/48/34/49/791483449.db2.gz QRAMMXXCZAZLLL-FRRDWIJNSA-N 2 0 262.401 1.763 10 0 CDAERP Nc1ccc2c(c1)OCC[N@@H+](CCCCCC[NH3+])C2 ZINC000866690363 791611317 /nfs/dbraw/zinc/61/13/17/791611317.db2.gz ZOHJUNLWDDTNGY-UHFFFAOYSA-N 2 0 263.385 1.982 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCNc1ccccc1 ZINC000817901450 791700111 /nfs/dbraw/zinc/70/01/11/791700111.db2.gz VZFPEPYZGDPUTC-AWEZNQCLSA-N 2 0 251.374 1.442 10 0 CDAERP Nc1nccc([C@H]2CCC[N@H+](CCCCCC[NH3+])C2)n1 ZINC000846220602 791788360 /nfs/dbraw/zinc/78/83/60/791788360.db2.gz MTSNAEFZAQYGFJ-ZDUSSCGKSA-N 2 0 277.416 1.757 10 0 CDAERP CC(C)(C)[C@H](O)C[C@H](CO)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925666602 791803595 /nfs/dbraw/zinc/80/35/95/791803595.db2.gz NDQSGRJUXGKRKS-FDYHWXHSSA-N 2 0 270.417 1.004 10 0 CDAERP CCO[C@@H]1C[C@@H](NC[C@@H](O)C[N@H+](C)C(C)C)[C@@H]1SC ZINC000852208652 791892259 /nfs/dbraw/zinc/89/22/59/791892259.db2.gz VNTYBRBGJQGGIT-SYQHCUMBSA-N 2 0 290.473 1.186 10 0 CDAERP C(COC1CCOCC1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000701389529 791904670 /nfs/dbraw/zinc/90/46/70/791904670.db2.gz JJEQIEQJQUZJDA-ZIAGYGMSSA-N 2 0 268.401 1.398 10 0 CDAERP C[C@@H]1C[N@H+](CCCc2cncn2C)C[C@H]1CC[NH3+] ZINC000723902747 792012714 /nfs/dbraw/zinc/01/27/14/792012714.db2.gz YYWXOFSTCUNPJW-CHWSQXEVSA-N 2 0 250.390 1.269 10 0 CDAERP CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925848450 792034071 /nfs/dbraw/zinc/03/40/71/792034071.db2.gz ATJIRFIHDZVUJF-FRRDWIJNSA-N 2 0 266.385 1.450 10 0 CDAERP CN(C)C(=O)[C@@H](c1ccccc1)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872151508 792050729 /nfs/dbraw/zinc/05/07/29/792050729.db2.gz DQMXIPKJTYXTRD-ZMSDIMECSA-N 2 0 287.407 1.357 10 0 CDAERP CC[C@H]1CCCCN1C(=O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723887153 792068089 /nfs/dbraw/zinc/06/80/89/792068089.db2.gz RHSAOGFNVURRPW-KFWWJZLASA-N 2 0 281.444 1.694 10 0 CDAERP C[C@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[S@](C)=O ZINC000820823455 792162629 /nfs/dbraw/zinc/16/26/29/792162629.db2.gz NJPNMWHKUBRQND-QPCGWKEPSA-N 2 0 284.469 1.891 10 0 CDAERP C(C[NH+]1CCCCC1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931286441 792319391 /nfs/dbraw/zinc/31/93/91/792319391.db2.gz FLEDCUPBHPGCRW-UHFFFAOYSA-N 2 0 295.471 1.659 10 0 CDAERP CC[N@@H+]1CC[C@@H](NC[C@H](O)C(F)(F)F)[C@@H](C)C1 ZINC000788981892 792399680 /nfs/dbraw/zinc/39/96/80/792399680.db2.gz ROWHOPYOIMMHJK-AEJSXWLSSA-N 2 0 254.296 1.230 10 0 CDAERP C[C@H]1C[N@H+](CC(=O)N2CCc3ccccc32)CC[C@H]1C[NH3+] ZINC000923507948 792516532 /nfs/dbraw/zinc/51/65/32/792516532.db2.gz LJQUYSLHZDPQFS-ZFWWWQNUSA-N 2 0 287.407 1.492 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@@H](C)[NH2+]C2CC2)CC1 ZINC000715223410 792601833 /nfs/dbraw/zinc/60/18/33/792601833.db2.gz QDYOUFPNLKIWGV-GFCCVEGCSA-N 2 0 267.417 1.460 10 0 CDAERP COC(=O)[C@]12CCC[C@H]1[N@H+](CCn1ccnc1C)CC2 ZINC000880183710 792691570 /nfs/dbraw/zinc/69/15/70/792691570.db2.gz XGTNPNLJKAABFF-HIFRSBDPSA-N 2 0 277.368 1.609 10 0 CDAERP O=C(CCC12CC(C1)C[NH2+]2)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000870879565 792797733 /nfs/dbraw/zinc/79/77/33/792797733.db2.gz JSONMBYPVLDENR-UHFFFAOYSA-N 2 0 297.362 1.738 10 0 CDAERP [NH3+][C@H](Cc1nc(-c2ccn3c[nH+]cc3c2)no1)C1CC1 ZINC000843226523 792803919 /nfs/dbraw/zinc/80/39/19/792803919.db2.gz ANPNDYBGDHKDJS-GFCCVEGCSA-N 2 0 269.308 1.664 10 0 CDAERP C[C@@H]1CC[N@H+](C[C@@H]2CC3(CCC3)CO2)C[C@H]1C[NH3+] ZINC000872144758 792819197 /nfs/dbraw/zinc/81/91/97/792819197.db2.gz INSOSAGOIHIZQK-MCIONIFRSA-N 2 0 252.402 1.862 10 0 CDAERP CSC[C@H](O)C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923509880 792824819 /nfs/dbraw/zinc/82/48/19/792824819.db2.gz SWZJFJVXRHSPFI-UKRRQHHQSA-N 2 0 286.485 1.812 10 0 CDAERP CCCCC[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710319 792827562 /nfs/dbraw/zinc/82/75/62/792827562.db2.gz YEVQWOGUPYRXMH-XQQFMLRXSA-N 2 0 267.373 1.044 10 0 CDAERP C([C@H]1CC2(CCC2)CO1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000872142720 792872921 /nfs/dbraw/zinc/87/29/21/792872921.db2.gz BHQBNZJDWOJCGM-HIFRSBDPSA-N 2 0 250.386 1.631 10 0 CDAERP CC(C)N1CCO[C@@H](C(=[NH2+])NOCc2ccccc2F)C1 ZINC000779651894 792882411 /nfs/dbraw/zinc/88/24/11/792882411.db2.gz RUDHMLNERKVNND-CQSZACIVSA-N 2 0 295.358 1.933 10 0 CDAERP CCC[NH2+][C@H](C)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000870991734 792890215 /nfs/dbraw/zinc/89/02/15/792890215.db2.gz GZSUSVBDRUSNQE-DOMZBBRYSA-N 2 0 269.433 1.598 10 0 CDAERP C[C@H](C[NH2+][C@H]1CC2CCC1CC2)N1CC[NH+](C)CC1 ZINC000924960645 792890731 /nfs/dbraw/zinc/89/07/31/792890731.db2.gz LGLZOXBUDHVIRM-LMPOIIKSSA-N 2 0 265.445 1.791 10 0 CDAERP CN(C)C(=O)N(C)[C@H]1CC[N@H+](CCCCCC[NH3+])C1 ZINC000852761229 793003977 /nfs/dbraw/zinc/00/39/77/793003977.db2.gz SHURVKLYHPVYOT-ZDUSSCGKSA-N 2 0 270.421 1.193 10 0 CDAERP CSc1ccc(CN2CC[NH2+]CC[NH2+]CC2)cc1 ZINC000923466072 793045238 /nfs/dbraw/zinc/04/52/38/793045238.db2.gz IMFHJXULKSWOKX-UHFFFAOYSA-N 2 0 265.426 1.403 10 0 CDAERP CCOC(=O)C1=CC[C@H]([NH2+][C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000863542253 793054503 /nfs/dbraw/zinc/05/45/03/793054503.db2.gz CAKAFIDEULYQNN-FRRDWIJNSA-N 2 0 252.358 1.355 10 0 CDAERP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](C[C@@H]2CC3CCC2CC3)C1 ZINC000923280873 793069201 /nfs/dbraw/zinc/06/92/01/793069201.db2.gz JQDKAPOTMVWJMB-CKUJCDMFSA-N 2 0 293.455 1.600 10 0 CDAERP C[NH+](C)CC1CC[NH+](CN2C(=O)[C@@H]3CCC[C@@H]32)CC1 ZINC000840001300 793072026 /nfs/dbraw/zinc/07/20/26/793072026.db2.gz ZJNODEFMHWTIOZ-KGLIPLIRSA-N 2 0 265.401 1.228 10 0 CDAERP COC(=O)c1cncc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923492239 793114365 /nfs/dbraw/zinc/11/43/65/793114365.db2.gz MIDQCMONKJBMDN-AAEUAGOBSA-N 2 0 277.368 1.285 10 0 CDAERP Cc1c[nH+]ccc1N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000720236325 793203176 /nfs/dbraw/zinc/20/31/76/793203176.db2.gz GMXAIMNNHNOYSP-ZDUSSCGKSA-N 2 0 261.369 1.383 10 0 CDAERP Cc1cc([C@H]([NH3+])CC(=O)N[C@@H](C)[C@H](C)[NH3+])cc(Cl)n1 ZINC000834820798 793299939 /nfs/dbraw/zinc/29/99/39/793299939.db2.gz DLXAJDBZXLWHPI-ATZCPNFKSA-N 2 0 284.791 1.285 10 0 CDAERP O=C1CC[C@H]2C[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[C@@H]2N1 ZINC000719277116 793309640 /nfs/dbraw/zinc/30/96/40/793309640.db2.gz HEANLLZGLUKCEE-OEWLLCOZSA-N 2 0 277.412 1.118 10 0 CDAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@@H]3CC[C@H](C4CC4)O3)C[C@@H]12 ZINC000715509096 793319171 /nfs/dbraw/zinc/31/91/71/793319171.db2.gz LBMPNFVGUNQDIQ-XLWJZTARSA-N 2 0 250.386 1.613 10 0 CDAERP C([C@@H]1C[C@H]2COC[C@@H]2O1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000724582715 793540914 /nfs/dbraw/zinc/54/09/14/793540914.db2.gz DBBBYERBZWSFII-VGWMRTNUSA-N 2 0 280.412 1.254 10 0 CDAERP C[C@H](Cn1cncn1)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925512029 793560427 /nfs/dbraw/zinc/56/04/27/793560427.db2.gz YQNHWEVWYGBRDO-GRYCIOLGSA-N 2 0 251.378 1.162 10 0 CDAERP C[C@@H]1CC[N@H+](C[C@@H]2CC3(CCC3)CO2)C[C@@H]1C[NH3+] ZINC000872144766 793659875 /nfs/dbraw/zinc/65/98/75/793659875.db2.gz INSOSAGOIHIZQK-RDBSUJKOSA-N 2 0 252.402 1.862 10 0 CDAERP C[C@H](C[NH2+][C@H](C)C1CC(F)(F)C1)N1CC[NH+](C)CC1 ZINC000862277015 793678428 /nfs/dbraw/zinc/67/84/28/793678428.db2.gz LQHLGDCBKDZWPR-VXGBXAGGSA-N 2 0 275.387 1.646 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC[N@@H+]1C ZINC000866365306 793680267 /nfs/dbraw/zinc/68/02/67/793680267.db2.gz UWLXIAAUFLQEKV-ZQDZILKHSA-N 2 0 281.444 1.706 10 0 CDAERP Cc1c(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)ccnc1F ZINC000862403296 793790168 /nfs/dbraw/zinc/79/01/68/793790168.db2.gz XOKPHAHEHBEDII-BJHJDKERSA-N 2 0 251.349 1.959 10 0 CDAERP C[C@@H]1C[C@@H]1NC(=[NH2+])NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000864452008 793830396 /nfs/dbraw/zinc/83/03/96/793830396.db2.gz KTPVXUFOAQAMDE-RQJABVFESA-N 2 0 266.433 1.877 10 0 CDAERP [NH3+]CCCCCCC[N@@H+]1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC000872146599 793840670 /nfs/dbraw/zinc/84/06/70/793840670.db2.gz SIIINDJFNRGAOY-ZIAGYGMSSA-N 2 0 288.457 1.262 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C2CCC([NH3+])CC2)C1 ZINC000715537026 793857261 /nfs/dbraw/zinc/85/72/61/793857261.db2.gz HKPDJMFAZRXKDC-CLRIEMFWSA-N 2 0 267.417 1.493 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1[NH2+]CC1(n2cc(Br)cn2)CC1 ZINC000925840242 793898632 /nfs/dbraw/zinc/89/86/32/793898632.db2.gz UVHSNQOBRGMRMN-GHMZBOCLSA-N 2 0 299.216 1.604 10 0 CDAERP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccns1 ZINC000924664112 793958020 /nfs/dbraw/zinc/95/80/20/793958020.db2.gz ZOAFGPZLGIFSRG-ZDUSSCGKSA-N 2 0 282.457 1.821 10 0 CDAERP CCNC(=O)N1CC[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925588634 794063515 /nfs/dbraw/zinc/06/35/15/794063515.db2.gz RNXUTFIQFIWRDC-FRRDWIJNSA-N 2 0 282.432 1.286 10 0 CDAERP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1cccnc1-n1ccnc1 ZINC000841096529 794104046 /nfs/dbraw/zinc/10/40/46/794104046.db2.gz XBPSZMGGAJMRKG-DZGCQCFKSA-N 2 0 285.395 1.888 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)C[C@H](O)c1cccs1 ZINC000817914516 794150023 /nfs/dbraw/zinc/15/00/23/794150023.db2.gz ZEDDOHKLTHGRJG-AVGNSLFASA-N 2 0 286.441 1.904 10 0 CDAERP C[C@@H]1C[N@H+](CCCN[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CCCO1 ZINC000925651506 794184731 /nfs/dbraw/zinc/18/47/31/794184731.db2.gz DSIRLUHWQNFJFX-OAGGEKHMSA-N 3 0 297.487 1.983 10 0 CDAERP CCO[C@H](CN[C@@H](CC)[C@@H]1CCC[NH2+]1)C[NH+](C)C ZINC000925836442 794200203 /nfs/dbraw/zinc/20/02/03/794200203.db2.gz KVDNLNXUGBSFAR-RDBSUJKOSA-N 2 0 257.422 1.073 10 0 CDAERP C[C@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1cccc(C[NH+](C)C)c1 ZINC000926646886 794247623 /nfs/dbraw/zinc/24/76/23/794247623.db2.gz PGIVBQVNMXLMJI-TUKIKUTGSA-N 2 0 275.396 1.663 10 0 CDAERP CC1CC[NH+](CCN2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)CC1 ZINC000931311619 794251851 /nfs/dbraw/zinc/25/18/51/794251851.db2.gz OFPVDOPFIMNCMV-CALCHBBNSA-N 2 0 279.472 1.992 10 0 CDAERP COC[C@H](C[N@@H+]1CCC2(C1)CC[NH2+]CC2)C(C)C ZINC000721784269 794281070 /nfs/dbraw/zinc/28/10/70/794281070.db2.gz XSKUFSWRRGTVRN-AWEZNQCLSA-N 2 0 254.418 1.981 10 0 CDAERP CCCn1cc(C[NH2+]C2CCC(C[NH+](C)C)CC2)nn1 ZINC000865509255 794285415 /nfs/dbraw/zinc/28/54/15/794285415.db2.gz PLFAZQIBHWBOHH-UHFFFAOYSA-N 2 0 279.432 1.898 10 0 CDAERP CC(C)C[C@H](C[NH3+])NC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870936816 794335511 /nfs/dbraw/zinc/33/55/11/794335511.db2.gz PWCAZWQFIINLLE-MBHSVXNSSA-N 2 0 253.390 1.008 10 0 CDAERP C[C@@H]1C[C@@H]1NC(=[NH2+])NCc1cccc(C[NH+](C)C)c1 ZINC000864452107 794403129 /nfs/dbraw/zinc/40/31/29/794403129.db2.gz LOCBHCGIXCLMIP-RISCZKNCSA-N 2 0 260.385 1.771 10 0 CDAERP O=C(N[C@H]1CCn2cncc21)C1CC[NH+](C2CC2)CC1 ZINC000857980446 794427428 /nfs/dbraw/zinc/42/74/28/794427428.db2.gz YPVKXRQJWDQTRR-ZDUSSCGKSA-N 2 0 274.368 1.319 10 0 CDAERP CCN1C[C@@H](C[NH+]2CCC(C[NH+](C)C)CC2)OC1=O ZINC000846775092 794462750 /nfs/dbraw/zinc/46/27/50/794462750.db2.gz ZOVCGVLSPWAUKO-CYBMUJFWSA-N 2 0 269.389 1.101 10 0 CDAERP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cnn(-c3ccccc3)n2)C1 ZINC000841084998 794494248 /nfs/dbraw/zinc/49/42/48/794494248.db2.gz RSNKJHPJJKCZEI-OLZOCXBDSA-N 2 0 271.368 1.484 10 0 CDAERP O[C@@H](C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)cn1 ZINC000818973368 794586870 /nfs/dbraw/zinc/58/68/70/794586870.db2.gz WSMNILGXAMNXKO-NHYWBVRUSA-N 2 0 279.359 1.328 10 0 CDAERP CC1(C)CC[C@@H](C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)OC1 ZINC000713590980 794601268 /nfs/dbraw/zinc/60/12/68/794601268.db2.gz FTEYKIGDFDYEFB-DZGCQCFKSA-N 2 0 252.402 1.877 10 0 CDAERP Cn1nccc1C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000715517107 794787570 /nfs/dbraw/zinc/78/75/70/794787570.db2.gz AJYWOTMJKKZMQZ-UHFFFAOYSA-N 2 0 250.390 1.773 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NCCCCCC[NH3+] ZINC000851666633 794805639 /nfs/dbraw/zinc/80/56/39/794805639.db2.gz JJYRKGMAHDSARO-GFCCVEGCSA-N 2 0 258.410 1.178 10 0 CDAERP CC[C@H](CNC(=[NH2+])NCCC1CC1)[NH+]1CCCC1 ZINC000864453876 794855233 /nfs/dbraw/zinc/85/52/33/794855233.db2.gz QNRLCTCWKXJHNE-CYBMUJFWSA-N 2 0 252.406 1.775 10 0 CDAERP CC[N@H+](CCN[C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)C(C)C ZINC000261975779 794868543 /nfs/dbraw/zinc/86/85/43/794868543.db2.gz RCPSYOOQAMBCBO-BZUAXINKSA-N 2 0 283.460 1.463 10 0 CDAERP CC[NH+]1CCC(N2CCc3sc(C[NH3+])nc3C2)CC1 ZINC000710167496 794938014 /nfs/dbraw/zinc/93/80/14/794938014.db2.gz OTJJENVFFLSMEI-UHFFFAOYSA-N 2 0 280.441 1.444 10 0 CDAERP CC1([NH+]2CCCCC2)CCN(C[C@@H](O)C2(O)CCC2)CC1 ZINC000931612073 794939408 /nfs/dbraw/zinc/93/94/08/794939408.db2.gz WTORILIPCZUIGP-OAHLLOKOSA-N 2 0 296.455 1.603 10 0 CDAERP c1[nH]nc2c1[C@H]([NH2+]C1CCN([C@H]3CCOC3)CC1)CCC2 ZINC000850559308 794998045 /nfs/dbraw/zinc/99/80/45/794998045.db2.gz ZZKOLJMLEDPUTF-DZGCQCFKSA-N 2 0 290.411 1.630 10 0 CDAERP [NH3+]Cc1ccc(C(=O)Nc2cnn(C3CC[NH2+]CC3)c2)cc1 ZINC000843454906 795008680 /nfs/dbraw/zinc/00/86/80/795008680.db2.gz WMTWUDXXMQOEJS-UHFFFAOYSA-N 2 0 299.378 1.519 10 0 CDAERP CC[C@@H]1CCN(C(=[NH2+])NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000864469256 795023189 /nfs/dbraw/zinc/02/31/89/795023189.db2.gz NUSQVCUZIDQYIT-UPJWGTAASA-N 2 0 252.406 1.583 10 0 CDAERP C[NH2+]C[C@@](C)(O)CN(C)Cc1ccc(Cl)nc1 ZINC000846217556 795029197 /nfs/dbraw/zinc/02/91/97/795029197.db2.gz KKFSGYUJMVWJNL-GFCCVEGCSA-N 2 0 257.765 1.137 10 0 CDAERP Cc1nccn1-c1ccc(CNC2=[NH+]CCCCN2)cn1 ZINC000849215427 795072870 /nfs/dbraw/zinc/07/28/70/795072870.db2.gz IPIFKRRSXSFHIG-UHFFFAOYSA-N 2 0 284.367 1.405 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)Cn1ccnc1 ZINC000858118384 795087497 /nfs/dbraw/zinc/08/74/97/795087497.db2.gz YJIFATCVFBETBF-ZIAGYGMSSA-N 3 0 264.417 1.982 10 0 CDAERP CSC[C@H](O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000923364747 795089402 /nfs/dbraw/zinc/08/94/02/795089402.db2.gz QRVSTUJEWVFILM-UPJWGTAASA-N 2 0 258.431 1.174 10 0 CDAERP C[N@@H+]1C[C@@H](CNC(=[NH2+])NC2CCC2)[C@H](c2ccccc2)C1 ZINC000849045611 795113817 /nfs/dbraw/zinc/11/38/17/795113817.db2.gz CWIKZQBJMRDWMM-ZBFHGGJFSA-N 2 0 286.423 1.998 10 0 CDAERP C(C[NH2+]C1CC1)CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000923327698 795285756 /nfs/dbraw/zinc/28/57/56/795285756.db2.gz HDEAYVOUHIMMLZ-ZFWWWQNUSA-N 2 0 251.418 1.593 10 0 CDAERP C[C@@H]1[C@H](NC(=O)N(C)CC2([NH+](C)C)CCC2)CC[N@@H+]1C ZINC000925334502 795312360 /nfs/dbraw/zinc/31/23/60/795312360.db2.gz LAELXOLVCFSDKP-CHWSQXEVSA-N 2 0 282.432 1.205 10 0 CDAERP C1C[C@@H]2C[C@H]([NH2+][C@H]3CCCN4CCSC[C@@H]34)CC[N@@H+]2C1 ZINC000718436603 795444800 /nfs/dbraw/zinc/44/48/00/795444800.db2.gz NXRKVIIUFJKBGN-WCVJEAGWSA-N 2 0 295.496 1.783 10 0 CDAERP C[C@@H]1C[C@@H]1NC(=[NH2+])NCC[N@H+](C)C1CCCCC1 ZINC000864451760 795458297 /nfs/dbraw/zinc/45/82/97/795458297.db2.gz JPOMISNZVREKFI-YPMHNXCESA-N 2 0 252.406 1.773 10 0 CDAERP C[C@](O)(C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2)c1cccs1 ZINC000925614676 795633528 /nfs/dbraw/zinc/63/35/28/795633528.db2.gz ZYWGMJVKWJXRTP-GVXVVHGQSA-N 2 0 266.410 1.815 10 0 CDAERP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)C(C)(C)CO ZINC000925437121 795652293 /nfs/dbraw/zinc/65/22/93/795652293.db2.gz KEDNAHVZRJWWAI-RBSFLKMASA-N 2 0 286.460 1.872 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)C1 ZINC000870853207 795659734 /nfs/dbraw/zinc/65/97/34/795659734.db2.gz VMXGLTSRKCFCQF-YMSVYLFOSA-N 2 0 277.412 1.104 10 0 CDAERP CN(C[C@H](O)C[NH2+]C1CCC(C)([NH+](C)C)CC1)C1CC1 ZINC000715538162 795693780 /nfs/dbraw/zinc/69/37/80/795693780.db2.gz LQWSFKQLVLSRFK-OGVSOVDVSA-N 3 0 283.460 1.294 10 0 CDAERP C[C@H]1C[N@H+](CCO[C@@H]2CCOC2)CCN1c1cc[nH+]cc1 ZINC000931682931 795702036 /nfs/dbraw/zinc/70/20/36/795702036.db2.gz ARJJRMAQIHNIRL-GOEBONIOSA-N 2 0 291.395 1.398 10 0 CDAERP Cc1cc([C@@H]([NH3+])CC(=O)N[C@@H]2CCC[NH2+]C2)cc(Cl)n1 ZINC000841845960 795799443 /nfs/dbraw/zinc/79/94/43/795799443.db2.gz IKBUWRZSSXECTN-NEPJUHHUSA-N 2 0 296.802 1.302 10 0 CDAERP CN1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@H]1CCC[C@H](O)C1 ZINC000717434153 795807975 /nfs/dbraw/zinc/80/79/75/795807975.db2.gz ZRPLZRHVBZCPIJ-XQLPTFJDSA-N 2 0 252.402 1.706 10 0 CDAERP C[C@@]1(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)CC[NH2+]C1 ZINC000843060992 795831172 /nfs/dbraw/zinc/83/11/72/795831172.db2.gz VYFVFBBKFQZJTJ-JKSUJKDBSA-N 2 0 282.428 1.646 10 0 CDAERP CCO[C@H](CN[C@@H]1C[C@@H]([NH3+])c2ccccc21)C[NH+](C)C ZINC000925841694 795858445 /nfs/dbraw/zinc/85/84/45/795858445.db2.gz RYPXBLUOJUDROM-DAXOMENPSA-N 2 0 277.412 1.688 10 0 CDAERP COC(=O)c1cc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cs1 ZINC000923492569 795877237 /nfs/dbraw/zinc/87/72/37/795877237.db2.gz XICNYMUGQMEUEW-CMPLNLGQSA-N 2 0 282.409 1.951 10 0 CDAERP C[C@H]1C[N@H+](CC(=O)N(C)Cc2ccccc2)CC[C@H]1C[NH3+] ZINC000923506461 795885882 /nfs/dbraw/zinc/88/58/82/795885882.db2.gz FPCRCVJHPUHUNZ-HOCLYGCPSA-N 2 0 289.423 1.562 10 0 CDAERP Cc1cc(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)nc(N)[nH+]1 ZINC000389939292 795890888 /nfs/dbraw/zinc/89/08/88/795890888.db2.gz OCPXZIMLTOZJGF-IUODEOHRSA-N 2 0 297.406 1.552 10 0 CDAERP C[NH+](C)C1(C)CCC([NH2+]C2CCS(=O)CC2)CC1 ZINC000715528540 795891445 /nfs/dbraw/zinc/89/14/45/795891445.db2.gz QXPXQSSPRKSQHO-UHFFFAOYSA-N 2 0 272.458 1.750 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCCCC[NH3+] ZINC000094459809 795929970 /nfs/dbraw/zinc/92/99/70/795929970.db2.gz RAZCWPLYDRBLKJ-CHWSQXEVSA-N 2 0 253.390 1.201 10 0 CDAERP Cc1noc(CCC[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)n1 ZINC000923494133 795966103 /nfs/dbraw/zinc/96/61/03/795966103.db2.gz KNYNIRHKWTXQQK-ZYHUDNBSSA-N 2 0 252.362 1.227 10 0 CDAERP CCn1cc(CC[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cn1 ZINC000923492168 796037696 /nfs/dbraw/zinc/03/76/96/796037696.db2.gz WSDJSJHLVGLGME-TZMCWYRMSA-N 2 0 250.390 1.362 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CCC[C@@H]2CCOC2=O)CC[N@@H+]1C ZINC000872116927 796045938 /nfs/dbraw/zinc/04/59/38/796045938.db2.gz NJYQVYGUABBETK-UPJWGTAASA-N 2 0 254.374 1.402 10 0 CDAERP OCC1(CC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925688158 796052853 /nfs/dbraw/zinc/05/28/53/796052853.db2.gz DLYBEMICOYVLLZ-HUUCEWRRSA-N 2 0 266.429 1.907 10 0 CDAERP C[C@@H]1CCCN(C(=[NH2+])NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000849049244 796151480 /nfs/dbraw/zinc/15/14/80/796151480.db2.gz PJUVTRUPPLBTCY-UPJWGTAASA-N 2 0 252.406 1.583 10 0 CDAERP C(C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)O[C@@H]1CCOC1 ZINC000923357880 796285721 /nfs/dbraw/zinc/28/57/21/796285721.db2.gz VEVNQHUEMBWTPE-HUUCEWRRSA-N 2 0 268.401 1.113 10 0 CDAERP CCOC(=O)/C=C\CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000929783587 796436464 /nfs/dbraw/zinc/43/64/64/796436464.db2.gz VBDGTNKOCBHBHJ-ASOISWSRSA-N 2 0 254.374 1.520 10 0 CDAERP C[C@H]([NH2+]CCO)[C@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001566536069 1167973700 /nfs/dbraw/zinc/97/37/00/1167973700.db2.gz ZMSSFFTVINKXRD-LSDHHAIUSA-N 2 0 299.459 1.070 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)C(C)C ZINC001565835492 1168177734 /nfs/dbraw/zinc/17/77/34/1168177734.db2.gz NXVZNMFWWDNSCM-CQSZACIVSA-N 2 0 269.433 1.515 10 0 CDAERP CCCC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001566704404 1168392991 /nfs/dbraw/zinc/39/29/91/1168392991.db2.gz KWLONQNJYAWPIZ-KGLIPLIRSA-N 2 0 267.417 1.365 10 0 CDAERP CC[C@@H](C(=O)NC[C@@H](C)[NH2+]CC1CCCC1)[NH+](C)C ZINC001567054861 1168536898 /nfs/dbraw/zinc/53/68/98/1168536898.db2.gz YKJGBEDFASUZKU-OCCSQVGLSA-N 2 0 269.433 1.611 10 0 CDAERP c1cc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc[nH+]1 ZINC001120860303 912618054 /nfs/dbraw/zinc/61/80/54/912618054.db2.gz IVUSZTLYKPIKNI-HNNXBMFYSA-N 2 0 261.369 1.559 10 0 CDAERP COCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001266319910 894365313 /nfs/dbraw/zinc/36/53/13/894365313.db2.gz VEHNEHMOEQOUQW-HUUCEWRRSA-N 2 0 297.443 1.086 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001266352772 894516941 /nfs/dbraw/zinc/51/69/41/894516941.db2.gz HODFDLPPBOTUTL-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CC1=CCCCC1 ZINC001266438061 894887688 /nfs/dbraw/zinc/88/76/88/894887688.db2.gz XKJZFFFYGQRVDN-INIZCTEOSA-N 2 0 293.455 1.877 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001266482384 895033171 /nfs/dbraw/zinc/03/31/71/895033171.db2.gz ARIGHMXYNAAQIB-KGLIPLIRSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@@H](c1ccccc1F)N(C)CCNC(=O)CC[NH+](C)C ZINC001480907675 896476316 /nfs/dbraw/zinc/47/63/16/896476316.db2.gz HCKRIUKKDYNOSO-ZDUSSCGKSA-N 2 0 295.402 1.886 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)CC[NH2+]C[C@H]1CCO[C@@H](C)C1 ZINC001267004977 896533291 /nfs/dbraw/zinc/53/32/91/896533291.db2.gz NWMFEVUCCKKPNQ-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP CC/C=C\CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001267025428 896588280 /nfs/dbraw/zinc/58/82/80/896588280.db2.gz XWZBJOFMMMQOJE-JZIMQPMSSA-N 2 0 279.428 1.629 10 0 CDAERP C[NH+](C)CC1(C(=O)N2CC[C@@H](C[NH2+]CCCF)C2)CC1 ZINC001267055237 896646362 /nfs/dbraw/zinc/64/63/62/896646362.db2.gz ICGPTPGTIYCSAT-ZDUSSCGKSA-N 2 0 285.407 1.126 10 0 CDAERP CC1CC(C[NH2+]CCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001267374640 897757370 /nfs/dbraw/zinc/75/73/70/897757370.db2.gz IEWXIROUGBGSHG-HXSCFSKGSA-N 2 0 281.444 1.421 10 0 CDAERP CC[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001267473430 898093439 /nfs/dbraw/zinc/09/34/39/898093439.db2.gz GEGSNBMZUUFWKO-CQSZACIVSA-N 2 0 269.433 1.565 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCCF ZINC001283623079 898218686 /nfs/dbraw/zinc/21/86/86/898218686.db2.gz UNCQDKUDYYOFRB-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CC[NH+](CCCF)C2)C1 ZINC001481117964 898908781 /nfs/dbraw/zinc/90/87/81/898908781.db2.gz FKJKHIBHWDJTSN-KGLIPLIRSA-N 2 0 285.407 1.126 10 0 CDAERP CC(C)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001481228440 899510706 /nfs/dbraw/zinc/51/07/06/899510706.db2.gz DWBKAUUNQZSZMH-AWEZNQCLSA-N 2 0 269.433 1.563 10 0 CDAERP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CCCOC)C1 ZINC001267781102 899714970 /nfs/dbraw/zinc/71/49/70/899714970.db2.gz BTHMFZFGJOGVOT-HUUCEWRRSA-N 2 0 297.443 1.040 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@](C)(C[NH2+]CCF)C1CC1 ZINC001267853776 899877127 /nfs/dbraw/zinc/87/71/27/899877127.db2.gz RCYXBDVBMBSWPN-ZBFHGGJFSA-N 2 0 299.434 1.703 10 0 CDAERP Cc1cncc(C[NH2+]CCN(C)C(=O)C[N@@H+](C)C(C)C)c1 ZINC001481320077 900382041 /nfs/dbraw/zinc/38/20/41/900382041.db2.gz VGYOPCHAAMUEGE-UHFFFAOYSA-N 2 0 292.427 1.278 10 0 CDAERP CCCC[NH+]1CC(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001481660740 901748301 /nfs/dbraw/zinc/74/83/01/901748301.db2.gz NCGOYJQAIFBDCK-KBPBESRZSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CC=C(C)C ZINC001481848513 902207547 /nfs/dbraw/zinc/20/75/47/902207547.db2.gz OUQJPKZMIRQMPO-OAHLLOKOSA-N 2 0 281.444 1.779 10 0 CDAERP CC[C@@H](C(=O)N(CC)CC[NH2+]Cc1ccccc1)[NH+](C)C ZINC001268476736 902281770 /nfs/dbraw/zinc/28/17/70/902281770.db2.gz HCZSLHHQMNBRFW-INIZCTEOSA-N 2 0 291.439 1.965 10 0 CDAERP CCN(CC[NH2+]C/C=C\Cl)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001268479522 902296453 /nfs/dbraw/zinc/29/64/53/902296453.db2.gz KXZWPVUFYBNLFO-AGLBCWCQSA-N 2 0 287.835 1.519 10 0 CDAERP CCN(CC[NH2+]CC1CC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001268490695 902361375 /nfs/dbraw/zinc/36/13/75/902361375.db2.gz HDQFVMNABXVWMP-AWEZNQCLSA-N 2 0 267.417 1.176 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]CCC1CC1 ZINC001482103653 902649618 /nfs/dbraw/zinc/64/96/18/902649618.db2.gz XPGQQKVAMZSPRE-UMVBOHGHSA-N 2 0 281.444 1.469 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1cnc(C)o1)[NH+](C)C ZINC001482162130 902779810 /nfs/dbraw/zinc/77/98/10/902779810.db2.gz ZRJKHUDQCNYGAH-BXUZGUMPSA-N 2 0 296.415 1.165 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC/C=C\C[NH2+]CCC1CC1 ZINC001268627115 902838097 /nfs/dbraw/zinc/83/80/97/902838097.db2.gz FXWYDMDFJUADHX-JQBDECOXSA-N 2 0 293.455 1.921 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001268673125 902931442 /nfs/dbraw/zinc/93/14/42/902931442.db2.gz GKYRFCNDAANWPN-CHWSQXEVSA-N 2 0 255.406 1.223 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH+](C)CC)CC[N@@H+]1C ZINC001268731622 903049451 /nfs/dbraw/zinc/04/94/51/903049451.db2.gz QECKTJBVANQSTP-RWMBFGLXSA-N 2 0 255.406 1.173 10 0 CDAERP CN(CCC[NH2+]CC1CCCCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001268950070 903261996 /nfs/dbraw/zinc/26/19/96/903261996.db2.gz KMCRNUFVDBJQEG-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)=CC[N@@H+]1CC[C@H]1CNC(=O)Cc1[nH]cnc1C ZINC001269338694 903714793 /nfs/dbraw/zinc/71/47/93/903714793.db2.gz SOKBNGJKVDMCML-ZDUSSCGKSA-N 2 0 276.384 1.417 10 0 CDAERP CC(C)[NH2+]C1(CNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001269540493 903908002 /nfs/dbraw/zinc/90/80/02/903908002.db2.gz DEHZBWWNHVQHIY-UHFFFAOYSA-N 2 0 267.417 1.509 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC2(C[NH2+]CCCF)CCCC2)C1 ZINC001269575846 903944141 /nfs/dbraw/zinc/94/41/41/903944141.db2.gz RJPLIBKTBVLCBM-CQSZACIVSA-N 2 0 299.434 1.706 10 0 CDAERP C[C@@H](C[NH2+]CCF)N(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001482291487 904666802 /nfs/dbraw/zinc/66/68/02/904666802.db2.gz GIOZIIVVQRQDCA-ZFWWWQNUSA-N 2 0 299.434 1.799 10 0 CDAERP CC(C)=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001270841849 905130033 /nfs/dbraw/zinc/13/00/33/905130033.db2.gz VGIBFOJRAVMLNJ-NVXWUHKLSA-N 2 0 293.455 1.733 10 0 CDAERP CCCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001482427557 905368157 /nfs/dbraw/zinc/36/81/57/905368157.db2.gz BPIIBCXCYBSFKG-GDBMZVCRSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](C[NH2+]CCC1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001271067262 905606228 /nfs/dbraw/zinc/60/62/28/905606228.db2.gz DUMUUZLGCXYPTH-TZMCWYRMSA-N 2 0 267.417 1.317 10 0 CDAERP C[NH+](C)CCC(=O)N1CCCC[C@H]1CC[NH2+]CCF ZINC001482453558 905614702 /nfs/dbraw/zinc/61/47/02/905614702.db2.gz BTLFBSHNLQZCJE-ZDUSSCGKSA-N 2 0 273.396 1.268 10 0 CDAERP CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)CCC ZINC001271748839 906770092 /nfs/dbraw/zinc/77/00/92/906770092.db2.gz BBQZVDLIZSYNGJ-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CC[NH2+][C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C(C)C ZINC001482535597 906905954 /nfs/dbraw/zinc/90/59/54/906905954.db2.gz BHAMEFKFETZWED-ZIAGYGMSSA-N 2 0 269.433 1.611 10 0 CDAERP COCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C ZINC001272033921 907574218 /nfs/dbraw/zinc/57/42/18/907574218.db2.gz LAPFDWLWLGABIK-CABCVRRESA-N 2 0 297.443 1.040 10 0 CDAERP CCC[N@@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001567942769 1169086474 /nfs/dbraw/zinc/08/64/74/1169086474.db2.gz SRORQMOEPLBQGW-ZDUSSCGKSA-N 2 0 255.406 1.271 10 0 CDAERP C[NH+]1CCC(C(=O)NC/C=C\C[NH2+]CCC2CC2)CC1 ZINC001483055073 909172538 /nfs/dbraw/zinc/17/25/38/909172538.db2.gz VGLQUXNGFOGGDU-IHWYPQMZSA-N 2 0 279.428 1.390 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@H](C)[NH2+]C/C=C/Cl ZINC001409432011 910402612 /nfs/dbraw/zinc/40/26/12/910402612.db2.gz USCDQVJSGYUHHV-TXBNAWBVSA-N 2 0 275.824 1.564 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C ZINC001425980537 910422979 /nfs/dbraw/zinc/42/29/79/910422979.db2.gz XGSWEWOFAOAEDW-KGLIPLIRSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@](C)(C[NH2+]CCF)C1CC1 ZINC001568033498 1169125287 /nfs/dbraw/zinc/12/52/87/1169125287.db2.gz GVOXWTQENSQMCC-CQSZACIVSA-N 2 0 273.396 1.171 10 0 CDAERP CC(C)CC[N@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001483347954 910944683 /nfs/dbraw/zinc/94/46/83/910944683.db2.gz PJDOPEHETCYGNS-CQSZACIVSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[NH2+]C[C@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001483561680 911249798 /nfs/dbraw/zinc/24/97/98/911249798.db2.gz WBVRGSFGAZJVMP-GJZGRUSLSA-N 2 0 279.428 1.221 10 0 CDAERP COCC[NH2+]C1(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001483774334 914926552 /nfs/dbraw/zinc/92/65/52/914926552.db2.gz SLDOUVVGTPBWLZ-CQSZACIVSA-N 2 0 297.443 1.136 10 0 CDAERP C[NH+]1CCC(CC(=O)N2CCC[C@@H]2C[NH2+]CCCF)CC1 ZINC001568147728 1169148593 /nfs/dbraw/zinc/14/85/93/1169148593.db2.gz ORJXAVARXDTMKR-OAHLLOKOSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@]2(C1)CCC[NH+](CCF)C2 ZINC001483832483 915103781 /nfs/dbraw/zinc/10/37/81/915103781.db2.gz JDTILCSJQSCSAX-INIZCTEOSA-N 2 0 299.434 1.611 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@]1(C)CC[NH+](CC=C(C)C)C1 ZINC001484063367 915378585 /nfs/dbraw/zinc/37/85/85/915378585.db2.gz CNQSORBLIGDKAJ-INIZCTEOSA-N 2 0 281.444 1.875 10 0 CDAERP CC(C)=CC[NH+]1CC[C@@](C)(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001484072462 915392749 /nfs/dbraw/zinc/39/27/49/915392749.db2.gz ZUYKFLCLEWHDFS-MRXNPFEDSA-N 2 0 281.444 1.873 10 0 CDAERP CCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]cn2)C[C@@H]1C ZINC001484369224 915694165 /nfs/dbraw/zinc/69/41/65/915694165.db2.gz MDHPIBRBRBARTJ-QWHCGFSZSA-N 2 0 278.400 1.436 10 0 CDAERP CC[NH2+]C1(CNC(=O)C23CCC[NH+](CCC2)C3)CCC1 ZINC001484639454 915992858 /nfs/dbraw/zinc/99/28/58/915992858.db2.gz SCPOYXUCHXZRLS-UHFFFAOYSA-N 2 0 279.428 1.511 10 0 CDAERP CCCC[NH2+]C1(C)CCN(C(=O)Cn2cncc2C)CC1 ZINC001484918456 916271064 /nfs/dbraw/zinc/27/10/64/916271064.db2.gz OCTOKLGKFAADPY-UHFFFAOYSA-N 2 0 292.427 1.962 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001485039576 916416179 /nfs/dbraw/zinc/41/61/79/916416179.db2.gz MFEMVNSFKKCNQL-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)[C@H](C)[NH2+]CCC1CC1 ZINC001485158984 916614077 /nfs/dbraw/zinc/61/40/77/916614077.db2.gz UIZLABMWHHUMDK-QWHCGFSZSA-N 2 0 281.444 1.754 10 0 CDAERP CC[C@@H](C(=O)NC1(C[NH2+]CCCO)CCCCC1)[NH+](C)C ZINC001485456517 916980743 /nfs/dbraw/zinc/98/07/43/916980743.db2.gz WIZXUFAHLYLAIP-AWEZNQCLSA-N 2 0 299.459 1.118 10 0 CDAERP C[C@@H](O)C[NH2+]CC1(NC(=O)CCC[NH+](C)C)CCCCC1 ZINC001485454785 916981953 /nfs/dbraw/zinc/98/19/53/916981953.db2.gz LWNFAUQIJVKBJF-CQSZACIVSA-N 2 0 299.459 1.118 10 0 CDAERP C[C@@H](NC(=O)[C@@H](C)Cc1c[nH]cn1)C1C[NH+](CC2CC2)C1 ZINC001409938755 919146838 /nfs/dbraw/zinc/14/68/38/919146838.db2.gz ZGEPZBCBWSXHRL-NWDGAFQWSA-N 2 0 290.411 1.435 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001490888448 936647442 /nfs/dbraw/zinc/64/74/42/936647442.db2.gz AGAHRSOBBSTPDO-BZUAXINKSA-N 2 0 293.455 1.611 10 0 CDAERP CCC[NH2+][C@H](C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001485922133 920580160 /nfs/dbraw/zinc/58/01/60/920580160.db2.gz GWKHFQMRDWIRLM-QWHCGFSZSA-N 2 0 255.406 1.175 10 0 CDAERP Cc1ncc(C[NH2+][C@@H](C)CN(C)C(=O)C[NH+]2CCCC2)o1 ZINC001485955288 920594682 /nfs/dbraw/zinc/59/46/82/920594682.db2.gz JERHRLDRAQGRGQ-LBPRGKRZSA-N 2 0 294.399 1.015 10 0 CDAERP CCC[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001486145491 920750144 /nfs/dbraw/zinc/75/01/44/920750144.db2.gz FREJORVXSLOIII-WBVHZDCISA-N 2 0 293.455 1.994 10 0 CDAERP C[NH+](C)CCCC(=O)N1C[C@H]([NH2+]CCC2CC2)C(C)(C)C1 ZINC001486241792 920838778 /nfs/dbraw/zinc/83/87/78/920838778.db2.gz ZJNMISGQSMXNBI-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP CCOCC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001486424062 920996268 /nfs/dbraw/zinc/99/62/68/920996268.db2.gz QECRGYGCVMMRBG-ZIAGYGMSSA-N 2 0 299.459 1.095 10 0 CDAERP C[N@@H+]1C[C@@H]2C[NH+](C[C@H](O)CC3CCCC3)C[C@]2(C)C1 ZINC000702319683 922514781 /nfs/dbraw/zinc/51/47/81/922514781.db2.gz WLCUEUACOGKRHS-OAGGEKHMSA-N 2 0 266.429 1.811 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(CCC[NH+]1CCCCC1)C2 ZINC000709888456 923229296 /nfs/dbraw/zinc/22/92/96/923229296.db2.gz NJINCCFWDWABMJ-ZNMIVQPWSA-N 2 0 251.418 1.674 10 0 CDAERP COCC[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001491356856 936897963 /nfs/dbraw/zinc/89/79/63/936897963.db2.gz VKZXXIONVXMMDO-YMAMQOFZSA-N 2 0 297.443 1.134 10 0 CDAERP Cc1ncc(C[NH2+]CC[C@@H](C)NC(=O)C[N@H+](C)C(C)C)o1 ZINC001273204217 924842264 /nfs/dbraw/zinc/84/22/64/924842264.db2.gz KLXCJTFUKBRZRM-GFCCVEGCSA-N 2 0 296.415 1.308 10 0 CDAERP CCCC[NH2+][C@]1(CO)CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001273936841 926501295 /nfs/dbraw/zinc/50/12/95/926501295.db2.gz RMTHSMHGJKHMPM-MRXNPFEDSA-N 2 0 299.459 1.070 10 0 CDAERP CCC[NH2+][C@@H](CC)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001494999122 926616295 /nfs/dbraw/zinc/61/62/95/926616295.db2.gz GZIDFUPGMBTNKM-KBPBESRZSA-N 2 0 269.433 1.755 10 0 CDAERP CC(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001488948253 926759755 /nfs/dbraw/zinc/75/97/55/926759755.db2.gz NRAKDYICBCEXSS-UONOGXRCSA-N 2 0 269.433 1.469 10 0 CDAERP CCC[N@H+](C)CCCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001490251091 927057947 /nfs/dbraw/zinc/05/79/47/927057947.db2.gz WBYSLCIUZIKXSQ-CYBMUJFWSA-N 2 0 255.406 1.176 10 0 CDAERP CC[C@@H](F)C[N@H+](C)CCCNC(=O)C[NH+]1CCCC1 ZINC001490279510 927074815 /nfs/dbraw/zinc/07/48/15/927074815.db2.gz HVUZSYIRVNRLBA-CYBMUJFWSA-N 2 0 273.396 1.268 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CCC1CC1 ZINC001490329227 927125264 /nfs/dbraw/zinc/12/52/64/927125264.db2.gz NOCLZMYXXIZSMJ-GDBMZVCRSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@H+](CCCNC(=O)C[NH+]1CC[C@@H](C)C1)C1CC1 ZINC001490386211 927145041 /nfs/dbraw/zinc/14/50/41/927145041.db2.gz YKAMBWCYZFNZNN-CQSZACIVSA-N 2 0 281.444 1.707 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1CC)C[C@H](C)O ZINC001490361362 927158830 /nfs/dbraw/zinc/15/88/30/927158830.db2.gz KVDIEHJMHSUHKX-GJZGRUSLSA-N 2 0 299.459 1.070 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C(C)(C)C ZINC001411208165 927231593 /nfs/dbraw/zinc/23/15/93/927231593.db2.gz GIQDCKKUSKSWHO-ZIAGYGMSSA-N 2 0 283.460 2.000 10 0 CDAERP CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001411235997 927286541 /nfs/dbraw/zinc/28/65/41/927286541.db2.gz OATHQIREBCNPAE-HIFRSBDPSA-N 2 0 283.460 1.953 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001490760342 927332730 /nfs/dbraw/zinc/33/27/30/927332730.db2.gz ZBBQGYKGKUTOQW-BZUAXINKSA-N 2 0 295.471 1.907 10 0 CDAERP CC/C=C\CC[N@H+](C)CCN(C)C(=O)Cn1ccnc1 ZINC001568506962 1169338861 /nfs/dbraw/zinc/33/88/61/1169338861.db2.gz RTIBLEWZGHCSOM-WAYWQWQTSA-N 2 0 278.400 1.630 10 0 CDAERP CCC[NH2+]C[C@]1(C)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001324788602 931165478 /nfs/dbraw/zinc/16/54/78/931165478.db2.gz JWEKQHFCZHZSNA-ZBFHGGJFSA-N 2 0 281.444 1.566 10 0 CDAERP CC[C@H](C[NH+]1CCCC1)NC(=O)[C@H](C)CC[NH+](C)C ZINC001136756970 931336545 /nfs/dbraw/zinc/33/65/45/931336545.db2.gz WXZZFQALROKXCF-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP COCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001274251477 931485057 /nfs/dbraw/zinc/48/50/57/931485057.db2.gz PAYDEIVHJSBCRT-UONOGXRCSA-N 2 0 299.459 1.047 10 0 CDAERP CC/C=C\CC[NH2+]C/C=C\CNC(=O)C12CC[NH+](CC1)C2 ZINC001274509149 931505156 /nfs/dbraw/zinc/50/51/56/931505156.db2.gz KDCJAWFBLYEXCH-CWWKMNTPSA-N 2 0 291.439 1.701 10 0 CDAERP CCOCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@H]1C ZINC001274662726 931533767 /nfs/dbraw/zinc/53/37/67/931533767.db2.gz LFWRBBUGGMBZNQ-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP [NH3+]C1CC(CC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000718118129 931588772 /nfs/dbraw/zinc/58/87/72/931588772.db2.gz KNPIBLQFTGNZHD-RUXDESIVSA-N 2 0 265.401 1.201 10 0 CDAERP C[C@H](C[NH2+]C/C=C/Cl)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001274925225 931609157 /nfs/dbraw/zinc/60/91/57/931609157.db2.gz ALANARABRIEDOW-NNNHXZLVSA-N 2 0 289.851 1.811 10 0 CDAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]C/C=C/Cl ZINC001275149952 931680860 /nfs/dbraw/zinc/68/08/60/931680860.db2.gz SLMYCJKMMTVSKC-YTDWTQRBSA-N 2 0 287.835 1.706 10 0 CDAERP COCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)C(C)C ZINC001275817927 932062302 /nfs/dbraw/zinc/06/23/02/932062302.db2.gz TZIWCLIACVOSPX-CABCVRRESA-N 2 0 299.459 1.238 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](C3CCC3)CC2)CC[N@@H+]1C ZINC001412134977 932280701 /nfs/dbraw/zinc/28/07/01/932280701.db2.gz FJNSNNZGGDOJNX-KBPBESRZSA-N 2 0 293.455 1.850 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001412303038 932368087 /nfs/dbraw/zinc/36/80/87/932368087.db2.gz XUSRGADMOKRXMT-HUUCEWRRSA-N 2 0 283.460 1.809 10 0 CDAERP C[NH2+]CCCCC(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000719746008 932469868 /nfs/dbraw/zinc/46/98/68/932469868.db2.gz WRZUKLFIOJEINT-ZDUSSCGKSA-N 2 0 257.422 1.469 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCc1cc(F)ccc1OC ZINC000925775496 932937910 /nfs/dbraw/zinc/93/79/10/932937910.db2.gz RARAUFBVRUKPQO-CQSZACIVSA-N 2 0 284.375 1.720 10 0 CDAERP C[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+]3CC[C@@H](F)C3)C2)C1 ZINC001413001466 935157217 /nfs/dbraw/zinc/15/72/17/935157217.db2.gz KQRYMEVFQOTAIU-GDBMZVCRSA-N 2 0 297.418 1.365 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)CC1 ZINC001413136443 935914866 /nfs/dbraw/zinc/91/48/66/935914866.db2.gz CYMKQGMPZIJSPP-MRXNPFEDSA-N 2 0 295.471 1.907 10 0 CDAERP CN(CCC[NH2+]CCC(F)(F)F)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001276379397 936224357 /nfs/dbraw/zinc/22/43/57/936224357.db2.gz DSIBUDMAIWLEJN-LLVKDONJSA-N 2 0 295.349 1.329 10 0 CDAERP C[C@@H](CC[NH2+]CCCO)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001568685209 1169430567 /nfs/dbraw/zinc/43/05/67/1169430567.db2.gz SCKRYLXAEIXBTQ-GJZGRUSLSA-N 2 0 299.459 1.118 10 0 CDAERP CN(CC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2)Cc1ccccc1 ZINC000405392484 940986180 /nfs/dbraw/zinc/98/61/80/940986180.db2.gz HEQPZDMYHYWRIE-HOTGVXAUSA-N 2 0 273.424 1.978 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001276924184 941702273 /nfs/dbraw/zinc/70/22/73/941702273.db2.gz TWGIYJKJMLBAGK-KGLIPLIRSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)[NH2+]CCC[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001277343655 942397862 /nfs/dbraw/zinc/39/78/62/942397862.db2.gz WBTUBTXMNRBTCM-KBPBESRZSA-N 2 0 271.449 1.856 10 0 CDAERP COCC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001282549211 942728733 /nfs/dbraw/zinc/72/87/33/942728733.db2.gz HQXPOZHBMFIQGS-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)[NH2+][C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001277562694 943006252 /nfs/dbraw/zinc/00/62/52/943006252.db2.gz NNYQTJULSKXOAP-ZIAGYGMSSA-N 2 0 269.433 1.610 10 0 CDAERP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001283900696 943022626 /nfs/dbraw/zinc/02/26/26/943022626.db2.gz WVVODRQSLDHTLV-WLBISTCBSA-N 2 0 281.444 1.873 10 0 CDAERP C[C@H]1C[C@H]([NH2+]CC2CC2)CN1C(=O)CCCC[NH+](C)C ZINC001284027458 943052167 /nfs/dbraw/zinc/05/21/67/943052167.db2.gz VMLUJGSCJMUOOR-ZFWWWQNUSA-N 2 0 281.444 1.707 10 0 CDAERP CN(C(=O)C[NH+]1CCCC1)[C@H](C[NH2+]CCC1CC1)C1CC1 ZINC001277727422 943422264 /nfs/dbraw/zinc/42/22/64/943422264.db2.gz VKTSFDPLGRTGTK-MRXNPFEDSA-N 2 0 293.455 1.709 10 0 CDAERP CCOCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001277825554 943718458 /nfs/dbraw/zinc/71/84/58/943718458.db2.gz DAIYFPCHCGZIQR-QLFBSQMISA-N 2 0 299.459 1.190 10 0 CDAERP CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001264556974 944149538 /nfs/dbraw/zinc/14/95/38/944149538.db2.gz RGIGNOSIJYMMAC-QLFBSQMISA-N 2 0 281.444 1.707 10 0 CDAERP C[NH+](C)CCCC(=O)N1CCCCC[C@H]([NH2+]CCCO)C1 ZINC001264682508 944163911 /nfs/dbraw/zinc/16/39/11/944163911.db2.gz YHBXWJDMBVVKGW-HNNXBMFYSA-N 2 0 299.459 1.071 10 0 CDAERP COCC[NH2+][C@@H](C)CN(C)C(=O)Cn1ccnc1C(C)C ZINC001277953725 944205136 /nfs/dbraw/zinc/20/51/36/944205136.db2.gz FKGCTTXRMWGTEB-ZDUSSCGKSA-N 2 0 296.415 1.089 10 0 CDAERP C[N@H+](CCCF)CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001265058380 944216974 /nfs/dbraw/zinc/21/69/74/944216974.db2.gz RUOQVDFBRWGGGE-ZDUSSCGKSA-N 2 0 273.396 1.126 10 0 CDAERP CC1CC[NH+](CC(=O)N2CCC[C@@H]2C[NH2+]CCF)CC1 ZINC001277966596 944269478 /nfs/dbraw/zinc/26/94/78/944269478.db2.gz VKHPAUVLFUJWTJ-CQSZACIVSA-N 2 0 285.407 1.268 10 0 CDAERP CC/C=C/CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001265350391 944354132 /nfs/dbraw/zinc/35/41/32/944354132.db2.gz PBGFKRBSZOZTQL-SGFLJFKBSA-N 2 0 293.455 1.921 10 0 CDAERP O=C(N1CC[C@H]([NH2+]CCCCCF)C1)C12CC[NH+](CC1)C2 ZINC001265454259 944393891 /nfs/dbraw/zinc/39/38/91/944393891.db2.gz KEWVGEUZJXDERS-AWEZNQCLSA-N 2 0 297.418 1.413 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001265566396 944431474 /nfs/dbraw/zinc/43/14/74/944431474.db2.gz GPOBJFYUJLKOCO-YIYPIFLZSA-N 2 0 269.433 1.610 10 0 CDAERP COCC[NH2+][C@@H](C)CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001277981191 944447558 /nfs/dbraw/zinc/44/75/58/944447558.db2.gz XWGUNMLYNSSYAG-AWEZNQCLSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCCF)C1 ZINC001265916751 944572593 /nfs/dbraw/zinc/57/25/93/944572593.db2.gz XXDSWCHMCIMRSJ-LSDHHAIUSA-N 2 0 299.434 1.657 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](CCF)C1CC1 ZINC001266174745 944732758 /nfs/dbraw/zinc/73/27/58/944732758.db2.gz SPRSINOCVWPGKC-OAHLLOKOSA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)=CC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001266237120 944776915 /nfs/dbraw/zinc/77/69/15/944776915.db2.gz QRICLKJOZJRNHK-CQSZACIVSA-N 2 0 267.417 1.485 10 0 CDAERP CC[C@H](C(=O)NC/C=C/C[NH2+]Cc1conc1C)[NH+](C)C ZINC001568870281 1169528095 /nfs/dbraw/zinc/52/80/95/1169528095.db2.gz AJFMNVDCUVVYIL-PSKZRQQASA-N 2 0 294.399 1.085 10 0 CDAERP Cc1nc(C2C[C@H]3CC[C@@H](C2)N3C[C@@H](C)[NH3+])no1 ZINC001261853272 946305498 /nfs/dbraw/zinc/30/54/98/946305498.db2.gz CIRUQZUONBVHRX-QGFIPJAISA-N 2 0 250.346 1.436 10 0 CDAERP CC1(C)CN(C(=O)c2ccc(C[NH+]3CCCC3)o2)CC[NH2+]1 ZINC001362429906 971265680 /nfs/dbraw/zinc/26/56/80/971265680.db2.gz PRPNRHZZPIYBOH-UHFFFAOYSA-N 2 0 291.395 1.699 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCCF)C1 ZINC001479368263 971314228 /nfs/dbraw/zinc/31/42/28/971314228.db2.gz HLMXIJHJADOLQV-RBSFLKMASA-N 2 0 299.434 1.705 10 0 CDAERP CC(C)[NH2+][C@H]1C[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001479408974 971320792 /nfs/dbraw/zinc/32/07/92/971320792.db2.gz OUYUYLBYRAPDBV-MGPQQGTHSA-N 2 0 267.417 1.221 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CCF)C1 ZINC001278491844 948709184 /nfs/dbraw/zinc/70/91/84/948709184.db2.gz VMYBAWCCTLXNLM-GOEBONIOSA-N 2 0 299.434 1.657 10 0 CDAERP CCCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001569038396 1169606472 /nfs/dbraw/zinc/60/64/72/1169606472.db2.gz LARPGOGCHKSLHN-ZIAGYGMSSA-N 2 0 269.433 1.755 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001480086907 971570904 /nfs/dbraw/zinc/57/09/04/971570904.db2.gz AKCZMGKOBXFEGW-GJZGRUSLSA-N 2 0 281.444 1.519 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC=C(C)C)C1)[NH+](C)C ZINC001480167801 971610797 /nfs/dbraw/zinc/61/07/97/971610797.db2.gz XXFAWRWUFPHKCU-MGPQQGTHSA-N 2 0 267.417 1.530 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCC2)C1 ZINC001480233503 971640319 /nfs/dbraw/zinc/64/03/19/971640319.db2.gz DFBWNLWINZIHHO-GASCZTMLSA-N 2 0 281.444 1.755 10 0 CDAERP C[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C[NH2+]CCCF)C2)CC1 ZINC001278596150 950342830 /nfs/dbraw/zinc/34/28/30/950342830.db2.gz ZVOLQYIGXIXXOG-DZGCQCFKSA-N 2 0 299.434 1.562 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC001362918321 971729658 /nfs/dbraw/zinc/72/96/58/971729658.db2.gz VRCUTEPVRGTZNB-HZSPNIEDSA-N 2 0 299.484 1.270 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]CC(C)C)CC[N@@H+]1C ZINC001480464937 971743724 /nfs/dbraw/zinc/74/37/24/971743724.db2.gz WVJNNINISJGYLW-MELADBBJSA-N 2 0 269.433 1.467 10 0 CDAERP CC(C)OCCC[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001480485393 971752204 /nfs/dbraw/zinc/75/22/04/971752204.db2.gz AHVMSJZXSSSUPU-HUUCEWRRSA-N 2 0 299.459 1.380 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CCCOC)C(C)(C)C1 ZINC001278685480 951694920 /nfs/dbraw/zinc/69/49/20/951694920.db2.gz ZFEXERPXGCKAQC-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCN2C2CCCC2)C(C)(C)C1 ZINC001362972475 971773768 /nfs/dbraw/zinc/77/37/68/971773768.db2.gz OFZULPRYYLIOBD-CABCVRRESA-N 2 0 293.455 1.850 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC1CCCC1 ZINC001480590558 971796103 /nfs/dbraw/zinc/79/61/03/971796103.db2.gz OLOPGJBUTJMMIW-JSGCOSHPSA-N 2 0 267.417 1.223 10 0 CDAERP CO[C@@H](C)C[N@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001480742973 971856381 /nfs/dbraw/zinc/85/63/81/971856381.db2.gz UKPXUUQRSZWELH-GJZGRUSLSA-N 2 0 299.459 1.284 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCC[NH+]2CCCF)C1 ZINC001493151683 971962277 /nfs/dbraw/zinc/96/22/77/971962277.db2.gz PBRXLAOTSCHTQV-KGLIPLIRSA-N 2 0 285.407 1.268 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001364024286 954136120 /nfs/dbraw/zinc/13/61/20/954136120.db2.gz JCTXZFHOMSJJDT-QLFBSQMISA-N 2 0 281.444 1.707 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+](CC=C(C)C)C1 ZINC001493251554 971996148 /nfs/dbraw/zinc/99/61/48/971996148.db2.gz DZVWYEYIRMIEHY-OAHLLOKOSA-N 2 0 281.444 1.733 10 0 CDAERP CC(C)CC[NH2+]CC[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001326429416 954376363 /nfs/dbraw/zinc/37/63/63/954376363.db2.gz DLHIQMHSSYKFJD-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@H](NC(=O)[C@@H]1CCCC[C@H]1[NH3+])[C@H]1CCC[NH2+]C1 ZINC001326556277 954431518 /nfs/dbraw/zinc/43/15/18/954431518.db2.gz HVFWJZJUEYBQCC-WUHRBBMRSA-N 2 0 253.390 1.008 10 0 CDAERP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C[C@H](C)CC ZINC001493331018 972018136 /nfs/dbraw/zinc/01/81/36/972018136.db2.gz CSYMVLXRWQULHT-CABCVRRESA-N 2 0 283.460 1.812 10 0 CDAERP [NH3+][C@H]1CCCC[C@@H]1C(=O)NCCC1CC[NH2+]CC1 ZINC001327449450 954884572 /nfs/dbraw/zinc/88/45/72/954884572.db2.gz NQRMUDGJAYULRC-STQMWFEESA-N 2 0 253.390 1.010 10 0 CDAERP [NH3+]Cc1ccccc1CNC(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC001327960791 955132711 /nfs/dbraw/zinc/13/27/11/955132711.db2.gz LZIPXDNEKCIIQD-UONOGXRCSA-N 2 0 261.369 1.279 10 0 CDAERP COC[C@H](C)[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001364837517 955215928 /nfs/dbraw/zinc/21/59/28/955215928.db2.gz NRWSAFPLWYEQDJ-AWEZNQCLSA-N 2 0 270.417 1.334 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CC[NH2+]CCF)C1 ZINC001493666030 972097083 /nfs/dbraw/zinc/09/70/83/972097083.db2.gz CGMZHXQGOGXWCM-ZDUSSCGKSA-N 2 0 273.396 1.126 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC1CC(C[NH2+]CCF)C1 ZINC001328927091 955557556 /nfs/dbraw/zinc/55/75/56/955557556.db2.gz CAESGEXOAJMUCS-NRXISQOPSA-N 2 0 299.434 1.703 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)CC[NH2+]Cc1oc(C)nc1C ZINC001493769762 972111913 /nfs/dbraw/zinc/11/19/13/972111913.db2.gz RDMBTUIYGXCBHI-UHFFFAOYSA-N 2 0 296.415 1.181 10 0 CDAERP CC(C)C[C@@H](C[NH2+]C(C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001421995633 955691214 /nfs/dbraw/zinc/69/12/14/955691214.db2.gz BBLVWFJHDQLTDL-QLFBSQMISA-N 2 0 283.460 1.856 10 0 CDAERP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC001329148625 955720015 /nfs/dbraw/zinc/72/00/15/955720015.db2.gz LZFLPJIEYHGZDG-QKGCVVFFSA-N 2 0 268.401 1.158 10 0 CDAERP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)CC[NH+]1CC[C@@H](F)C1 ZINC001363379483 972126433 /nfs/dbraw/zinc/12/64/33/972126433.db2.gz GKLIFVYKJXYRDJ-MGPQQGTHSA-N 2 0 283.391 1.115 10 0 CDAERP CN(CC(C)(C)C[NH2+]CCF)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001329307538 955814214 /nfs/dbraw/zinc/81/42/14/955814214.db2.gz KKQLZBILTHJDPB-ZDUSSCGKSA-N 2 0 287.423 1.514 10 0 CDAERP CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001422240568 955881955 /nfs/dbraw/zinc/88/19/55/955881955.db2.gz GJJHIKRUJMKXLC-HUUCEWRRSA-N 2 0 281.444 1.519 10 0 CDAERP CO[C@H]1CC[C@H]([NH+]2CCC([NH2+]C3CCOCC3)CC2)C1 ZINC001365328188 955903394 /nfs/dbraw/zinc/90/33/94/955903394.db2.gz CGHNAALGMPLZSV-HOTGVXAUSA-N 2 0 282.428 1.787 10 0 CDAERP C(C[NH+]1CCC([NH2+]C2CCOCC2)CC1)[C@H]1CCCO1 ZINC001365329783 955904843 /nfs/dbraw/zinc/90/48/43/955904843.db2.gz SJWDKQHDGHLVEW-MRXNPFEDSA-N 2 0 282.428 1.789 10 0 CDAERP CO[C@H]1C[C@@H](C[NH+]2CCC([NH2+]C3CCOCC3)CC2)C1 ZINC001365329260 955906077 /nfs/dbraw/zinc/90/60/77/955906077.db2.gz NUPIOEPPNSWHDG-AKAXFMLLSA-N 2 0 282.428 1.644 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCCF ZINC001317260760 955998152 /nfs/dbraw/zinc/99/81/52/955998152.db2.gz VYLULFCIUNKCOU-KGLIPLIRSA-N 2 0 287.423 1.561 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)N2C[C@H]3C[NH+](C)C[C@@]3(C)C2)C1 ZINC001365419401 956022224 /nfs/dbraw/zinc/02/22/24/956022224.db2.gz UWJRRMRDKZEDSZ-YCPHGPKFSA-N 2 0 294.443 1.064 10 0 CDAERP Cc1cc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)sn1 ZINC001422471650 956046357 /nfs/dbraw/zinc/04/63/57/956046357.db2.gz RZTKBERHTXVGPW-YPMHNXCESA-N 2 0 296.440 1.140 10 0 CDAERP Cc1cccc(C[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C)c1 ZINC001422557956 956150226 /nfs/dbraw/zinc/15/02/26/956150226.db2.gz CFWFTIJCHNOKBJ-HNNXBMFYSA-N 2 0 291.439 1.883 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC)CC1(C)C)[NH+](C)C ZINC001330212005 956328827 /nfs/dbraw/zinc/32/88/27/956328827.db2.gz YSRLLEAONJNRIY-VXGBXAGGSA-N 2 0 255.406 1.173 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001365801207 956373689 /nfs/dbraw/zinc/37/36/89/956373689.db2.gz HJNXAAHMCMOVDH-CVEARBPZSA-N 2 0 295.471 1.907 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2C[C@@H]([NH2+]C/C=C\Cl)C2)C1 ZINC001365821710 956387457 /nfs/dbraw/zinc/38/74/57/956387457.db2.gz DEYBDHFCEHYZKR-AYHMOHSLSA-N 2 0 299.846 1.565 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001365851565 956407527 /nfs/dbraw/zinc/40/75/27/956407527.db2.gz ODYHFEUABZDZGW-RBSFLKMASA-N 2 0 281.444 1.469 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC(C)C)[C@@H]1CC ZINC001365866792 956412915 /nfs/dbraw/zinc/41/29/15/956412915.db2.gz SMNCRWQKUSFSJS-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CC1CC1 ZINC001423045324 956536558 /nfs/dbraw/zinc/53/65/58/956536558.db2.gz BGMWOXVSEBRUEL-SWLSCSKDSA-N 2 0 279.428 1.175 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001366126984 956585684 /nfs/dbraw/zinc/58/56/84/956585684.db2.gz OITATKJRKPEDNO-SYQHCUMBSA-N 2 0 285.407 1.456 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccn2)C1 ZINC001366134063 956590592 /nfs/dbraw/zinc/59/05/92/956590592.db2.gz UFSDTSKMXWZOKK-SHTZXODSSA-N 2 0 290.411 1.159 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]1CC[C@@H](C)F ZINC001423132585 956614901 /nfs/dbraw/zinc/61/49/01/956614901.db2.gz ACDLFMKOWXZARU-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001366167380 956614943 /nfs/dbraw/zinc/61/49/43/956614943.db2.gz FVXXCZAYYWVHEP-MELADBBJSA-N 2 0 279.428 1.365 10 0 CDAERP CCCC[N@@H+]1CCC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001366188502 956628811 /nfs/dbraw/zinc/62/88/11/956628811.db2.gz VVBPRVYFUSNEMD-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CC1CC(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH+](C)C)C1 ZINC001366195316 956632739 /nfs/dbraw/zinc/63/27/39/956632739.db2.gz DZFHGYXYVBLFBZ-GPANFISMSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1[NH+](CCF)CC2 ZINC001423367048 956741227 /nfs/dbraw/zinc/74/12/27/956741227.db2.gz LFMFOJGLLLNMEI-HIFRSBDPSA-N 2 0 285.407 1.411 10 0 CDAERP Cc1ccccc1C[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001366369867 956774520 /nfs/dbraw/zinc/77/45/20/956774520.db2.gz VFRNCRMOBRCUPT-HNNXBMFYSA-N 2 0 291.439 1.930 10 0 CDAERP CCCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001423528692 956830180 /nfs/dbraw/zinc/83/01/80/956830180.db2.gz XNHVTZUDVUAMQK-GJZGRUSLSA-N 2 0 299.459 1.022 10 0 CDAERP CC[C@@H](F)C[N@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001424332304 957207148 /nfs/dbraw/zinc/20/71/48/957207148.db2.gz RKTRVRHFTDGUDM-UONOGXRCSA-N 2 0 287.423 1.467 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CCCF)C2)CC1 ZINC001317089895 957262384 /nfs/dbraw/zinc/26/23/84/957262384.db2.gz JCKCAUMBLWCBQU-SHTZXODSSA-N 2 0 299.434 1.703 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC1C[NH+](CC2CCCCC2)C1 ZINC001366951928 957296650 /nfs/dbraw/zinc/29/66/50/957296650.db2.gz FFRMZHKWAYLNFW-UHFFFAOYSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)C[C@@H](C)C[NH+]1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001366976002 957313116 /nfs/dbraw/zinc/31/31/16/957313116.db2.gz MKKZPIRWTWJVGQ-CQSZACIVSA-N 2 0 283.460 1.668 10 0 CDAERP CC1CC(C[N@@H+]2CC[C@@H](N(C)C(=O)CC[NH+](C)C)C2)C1 ZINC001367058988 957373430 /nfs/dbraw/zinc/37/34/30/957373430.db2.gz LUUJTCOOSNWABK-YMAMQOFZSA-N 2 0 281.444 1.517 10 0 CDAERP CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001332051893 957415632 /nfs/dbraw/zinc/41/56/32/957415632.db2.gz VTCVOEMEBFCRKA-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001317390602 957449349 /nfs/dbraw/zinc/44/93/49/957449349.db2.gz WQHMRLSOSPTJEA-KBPBESRZSA-N 2 0 269.433 1.611 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001317434980 957468200 /nfs/dbraw/zinc/46/82/00/957468200.db2.gz PDLAKEDCOJEDBQ-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001425347430 957517506 /nfs/dbraw/zinc/51/75/06/957517506.db2.gz VPERTHLHBCHHIT-FPCVCCKLSA-N 2 0 293.455 1.565 10 0 CDAERP CC(C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001425357098 957519600 /nfs/dbraw/zinc/51/96/00/957519600.db2.gz LRBMCXZEIQLMQU-QKDCVEJESA-N 2 0 295.471 1.667 10 0 CDAERP CN(CC[NH2+]CCCF)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001317644175 957617916 /nfs/dbraw/zinc/61/79/16/957617916.db2.gz UIGJKZHHUPWABD-KGLIPLIRSA-N 2 0 285.407 1.411 10 0 CDAERP CCC(CC)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001425883509 957634349 /nfs/dbraw/zinc/63/43/49/957634349.db2.gz AMDGGQNLLNJVOA-UKRRQHHQSA-N 2 0 283.460 1.953 10 0 CDAERP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1[N@H+](C/C=C\Cl)CC2 ZINC001425892353 957637645 /nfs/dbraw/zinc/63/76/45/957637645.db2.gz AJMAIEZHJQMEQQ-ZJSMVXQZSA-N 2 0 299.846 1.804 10 0 CDAERP CC(C)[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC1(C)C ZINC001425967634 957652742 /nfs/dbraw/zinc/65/27/42/957652742.db2.gz RQHJTZIAYOPSMB-CYBMUJFWSA-N 2 0 281.444 1.563 10 0 CDAERP CCC[NH2+]C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001332882175 957914651 /nfs/dbraw/zinc/91/46/51/957914651.db2.gz RCZVFDUDZCSNML-ZIAGYGMSSA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001367348579 957960344 /nfs/dbraw/zinc/96/03/44/957960344.db2.gz GQLHCGNKIHGBOW-HIFRSBDPSA-N 2 0 281.444 1.421 10 0 CDAERP CCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001318370011 958063100 /nfs/dbraw/zinc/06/31/00/958063100.db2.gz DBZVXQMSAQHDNV-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP CC(=O)N1CCC([NH+]2CCC(C)([NH+](C)C)CC2)CC1 ZINC001333226172 958170358 /nfs/dbraw/zinc/17/03/58/958170358.db2.gz WNZPAJMZVSGPJK-UHFFFAOYSA-N 2 0 267.417 1.413 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1cncs1)[NH+](C)C ZINC001367738493 958286314 /nfs/dbraw/zinc/28/63/14/958286314.db2.gz RENTVGDOAOUABF-AAEUAGOBSA-N 2 0 298.456 1.324 10 0 CDAERP CCC[NH2+]CCC1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001318893955 958295184 /nfs/dbraw/zinc/29/51/84/958295184.db2.gz DBCRBNZGEKFHKK-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[N@H+]1CC=C(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001333399428 958314679 /nfs/dbraw/zinc/31/46/79/958314679.db2.gz HPKKVVYJAGCOEA-OAHLLOKOSA-N 2 0 281.444 1.731 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@@H](NCCC[NH+]2CCCC2)C1 ZINC001333596790 958442138 /nfs/dbraw/zinc/44/21/38/958442138.db2.gz MTSXEICBJVSLKQ-UONOGXRCSA-N 2 0 253.434 1.968 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@@H](C)CNC(=O)Cc1ncc[nH]1 ZINC001319256009 958459422 /nfs/dbraw/zinc/45/94/22/958459422.db2.gz BTXJOEUVRUTHGV-VXGBXAGGSA-N 2 0 266.389 1.340 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@H]1CC[N@@H+]1CC(C)C ZINC001367949752 958508510 /nfs/dbraw/zinc/50/85/10/958508510.db2.gz MVGOKFPTUFNCFT-ZIAGYGMSSA-N 2 0 287.423 1.513 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N1CCCC[C@H]1CC[NH2+]C[C@@H](C)O ZINC001319789828 958726382 /nfs/dbraw/zinc/72/63/82/958726382.db2.gz DLILHGJVCMSVQT-CABCVRRESA-N 2 0 299.459 1.068 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001368499157 958901772 /nfs/dbraw/zinc/90/17/72/958901772.db2.gz QHTFFKYQQXDMEK-IGQOVBAYSA-N 2 0 285.407 1.313 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001368495948 958904400 /nfs/dbraw/zinc/90/44/00/958904400.db2.gz PFMHIMVVRRZIMD-OTVXOJSOSA-N 2 0 295.471 1.859 10 0 CDAERP CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CCCC[NH+](C)C ZINC001320171117 958986491 /nfs/dbraw/zinc/98/64/91/958986491.db2.gz KPUSTRBDZFZAPV-UONOGXRCSA-N 2 0 269.433 1.613 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1CC1CC1 ZINC001368767419 959113927 /nfs/dbraw/zinc/11/39/27/959113927.db2.gz KBZMNAGJVAHKOB-DOMZBBRYSA-N 2 0 279.428 1.460 10 0 CDAERP CCN(CC[NH2+]CC1CCC1)C(=O)C1([NH+](C)C)CCC1 ZINC001320756768 959373235 /nfs/dbraw/zinc/37/32/35/959373235.db2.gz RVVWAQAEQXLMNJ-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCC(C)C)C[C@H]21)[NH+](C)C ZINC001369123075 959474011 /nfs/dbraw/zinc/47/40/11/959474011.db2.gz JBBSNYRAPMWZIU-LVQVYYBASA-N 2 0 295.471 1.667 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[NH+]1CCCC1 ZINC001369220603 959539903 /nfs/dbraw/zinc/53/99/03/959539903.db2.gz JBWKLCQVNKKMAS-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC2CC2)C1 ZINC001369271853 959597345 /nfs/dbraw/zinc/59/73/45/959597345.db2.gz WMHDCTBAEJBRTM-GDBMZVCRSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001321122818 959604894 /nfs/dbraw/zinc/60/48/94/959604894.db2.gz ZWLPFYXNELZALY-GXMNPTEKSA-N 2 0 267.417 1.389 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)NC/C=C\C[NH2+]CC)C1 ZINC001321208930 959656343 /nfs/dbraw/zinc/65/63/43/959656343.db2.gz LXXBYSKUAYLZEV-GXMNPTEKSA-N 2 0 267.417 1.390 10 0 CDAERP CC[C@H](C)C[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001433433794 960328385 /nfs/dbraw/zinc/32/83/85/960328385.db2.gz ZLVCUBLHTIFLPV-LSDHHAIUSA-N 2 0 281.444 1.661 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@@H](C[NH2+]C/C=C/Cl)C2CC2)C1 ZINC001323065657 960430786 /nfs/dbraw/zinc/43/07/86/960430786.db2.gz UWIOGRVIEZIDFB-NPXAJTFRSA-N 2 0 299.846 1.565 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+](C(C)C)C1)C1CC1 ZINC001433657037 960485363 /nfs/dbraw/zinc/48/53/63/960485363.db2.gz XPCNXBKYKIAKTA-AWEZNQCLSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C1([NH+](C)C)CCCC1 ZINC001433790920 960617937 /nfs/dbraw/zinc/61/79/37/960617937.db2.gz HPWQOPVZKNIBDP-OCCSQVGLSA-N 2 0 279.428 1.460 10 0 CDAERP CC(C)(C(=O)NCC[N@H+](CC1CC1)C1CC1)[NH+]1CCCC1 ZINC001418765559 960997457 /nfs/dbraw/zinc/99/74/57/960997457.db2.gz HHATUOMPZXXVRR-UHFFFAOYSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1C[C@H]([NH+](C)C)C1(C)C ZINC001434117755 961001608 /nfs/dbraw/zinc/00/16/08/961001608.db2.gz BMEADFIRZZIXNR-CRWXNKLISA-N 2 0 281.444 1.704 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ocnc1C ZINC001419183125 961482215 /nfs/dbraw/zinc/48/22/15/961482215.db2.gz VBOKTDDIJXXEJI-OLZOCXBDSA-N 2 0 294.399 1.062 10 0 CDAERP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[NH2+]CC(C)C ZINC001419187849 961486095 /nfs/dbraw/zinc/48/60/95/961486095.db2.gz YFADKACZZFJEGT-LSDHHAIUSA-N 2 0 283.460 2.000 10 0 CDAERP CC[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]C/C=C\Cl ZINC001419236589 961537266 /nfs/dbraw/zinc/53/72/66/961537266.db2.gz BGCXBPMTOBQUBA-FSMZVQOTSA-N 2 0 287.835 1.565 10 0 CDAERP CC[C@H](C)C[NH2+][C@@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001419279786 961577576 /nfs/dbraw/zinc/57/75/76/961577576.db2.gz DLHZVHDBOQTUQH-BBRMVZONSA-N 2 0 295.471 1.859 10 0 CDAERP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccns1 ZINC001419907324 962225281 /nfs/dbraw/zinc/22/52/81/962225281.db2.gz STQSCZZWFNJJMU-NWDGAFQWSA-N 2 0 296.440 1.079 10 0 CDAERP CN(CC[N@H+](C)CC1CC1)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001419969841 962309376 /nfs/dbraw/zinc/30/93/76/962309376.db2.gz BRUJIVFVPJJKMO-HNNXBMFYSA-N 2 0 281.444 1.661 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H]([NH2+]C(C)C)C2CC2)CC[N@@H+]1C ZINC001436787337 962417298 /nfs/dbraw/zinc/41/72/98/962417298.db2.gz JJPMJIUTLRJZFO-RRFJBIMHSA-N 2 0 281.444 1.610 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001436932333 962504923 /nfs/dbraw/zinc/50/49/23/962504923.db2.gz VGNIDZZPKGHQNE-AVGNSLFASA-N 2 0 271.380 1.067 10 0 CDAERP Cc1cc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C)sn1 ZINC001437132379 962669374 /nfs/dbraw/zinc/66/93/74/962669374.db2.gz YFQGOCXUXYNEBS-YPMHNXCESA-N 2 0 296.440 1.140 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]Cc1ccsc1)[NH+](C)C ZINC001420343448 962767332 /nfs/dbraw/zinc/76/73/32/962767332.db2.gz ZWSJFUWVBLFWNK-TZMCWYRMSA-N 2 0 297.468 1.929 10 0 CDAERP C[N@H+](CCCF)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001437358979 962832256 /nfs/dbraw/zinc/83/22/56/962832256.db2.gz TYCYONUVMXBIGR-KGLIPLIRSA-N 2 0 285.407 1.221 10 0 CDAERP C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CCF ZINC001437397940 962857469 /nfs/dbraw/zinc/85/74/69/962857469.db2.gz ODKUDSUEQUKPTF-AGIUHOORSA-N 2 0 273.396 1.171 10 0 CDAERP C[N@H+](CCNC(=O)C[NH+]1CCCC1)CCC1CCCC1 ZINC001437562881 963016901 /nfs/dbraw/zinc/01/69/01/963016901.db2.gz NMMFSIRLCFLISZ-UHFFFAOYSA-N 2 0 281.444 1.711 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CC1CCCC1 ZINC001437647906 963088076 /nfs/dbraw/zinc/08/80/76/963088076.db2.gz PVXUIZTYHAOPFB-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001420986140 963402709 /nfs/dbraw/zinc/40/27/09/963402709.db2.gz CICCPLDVZVGDHG-MRXNPFEDSA-N 2 0 289.423 1.719 10 0 CDAERP CC[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC1CCC1 ZINC001438344479 963425625 /nfs/dbraw/zinc/42/56/25/963425625.db2.gz ZYEUROHGFKULEX-HIFRSBDPSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@H](F)CC[N@H+](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001439364719 963739260 /nfs/dbraw/zinc/73/92/60/963739260.db2.gz OBQNUARXJSUHPL-STQMWFEESA-N 2 0 287.423 1.513 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001439568172 963803333 /nfs/dbraw/zinc/80/33/33/963803333.db2.gz BXMNWQBIUGVQBG-OAHLLOKOSA-N 2 0 283.460 1.953 10 0 CDAERP CCC(CC)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001440917865 964260265 /nfs/dbraw/zinc/26/02/65/964260265.db2.gz SXDKORVXNIFYRU-HIFRSBDPSA-N 2 0 283.460 1.953 10 0 CDAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]CCF)C1 ZINC001441393456 964495228 /nfs/dbraw/zinc/49/52/28/964495228.db2.gz DVOBZGHJKVNOIJ-JOCQHMNTSA-N 2 0 299.434 1.846 10 0 CDAERP Cc1nocc1C[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001441443340 964515324 /nfs/dbraw/zinc/51/53/24/964515324.db2.gz TWCSZUABMWTCLW-HDJSIYSDSA-N 2 0 294.399 1.060 10 0 CDAERP CO[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001441498563 964553384 /nfs/dbraw/zinc/55/33/84/964553384.db2.gz BIFFQDYCWAVYSP-MELADBBJSA-N 2 0 297.443 1.133 10 0 CDAERP Cc1ncc(C[NH2+][C@@H](C)CNC(=O)C2([NH+](C)C)CCC2)o1 ZINC001441836664 964740727 /nfs/dbraw/zinc/74/07/27/964740727.db2.gz CRHMJJFTQCJCGQ-NSHDSACASA-N 2 0 294.399 1.062 10 0 CDAERP CCC[NH2+]C1CC(N(C)C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001442234809 964952561 /nfs/dbraw/zinc/95/25/61/964952561.db2.gz ZUKSFAVBQZXRKI-RUXDESIVSA-N 2 0 287.423 1.655 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCC[NH+]2CC2CC2)C1 ZINC001442809926 965227496 /nfs/dbraw/zinc/22/74/96/965227496.db2.gz MKOGLIWSYHQVJQ-CABCVRRESA-N 2 0 279.428 1.319 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001442864788 965252498 /nfs/dbraw/zinc/25/24/98/965252498.db2.gz NQRUOUVZFDGBIE-GJZGRUSLSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CCNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001443255381 965416078 /nfs/dbraw/zinc/41/60/78/965416078.db2.gz AYHPNKOBLFPIIG-JKSUJKDBSA-N 2 0 295.471 1.812 10 0 CDAERP Cc1oncc1C[NH2+][C@H](CNC(=O)CC[NH+](C)C)C(C)C ZINC001444900171 965995673 /nfs/dbraw/zinc/99/56/73/965995673.db2.gz JSQQSXNTQGTAFQ-CQSZACIVSA-N 2 0 296.415 1.165 10 0 CDAERP CC(C)C[NH2+]CC(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC001349420302 966344183 /nfs/dbraw/zinc/34/41/83/966344183.db2.gz ILXGKAFKVDOSEB-KGLIPLIRSA-N 2 0 267.417 1.223 10 0 CDAERP CC[N@@H+]1CC[C@](C)(NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001446565329 966584504 /nfs/dbraw/zinc/58/45/04/966584504.db2.gz RTHZUJLFTKVBQW-JKSUJKDBSA-N 2 0 299.434 1.799 10 0 CDAERP CS[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1[NH+](C)C ZINC001447101225 966698631 /nfs/dbraw/zinc/69/86/31/966698631.db2.gz JHZBLOCKKMDRCS-IGQOVBAYSA-N 2 0 299.484 1.221 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]Cc2cncs2)CN1C(=O)CC[NH+](C)C ZINC001449017050 967335156 /nfs/dbraw/zinc/33/51/56/967335156.db2.gz IKERJKVMUXMBIE-VXGBXAGGSA-N 2 0 296.440 1.174 10 0 CDAERP C[C@@H](O)[C@H](C)[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001460941581 969568445 /nfs/dbraw/zinc/56/84/45/969568445.db2.gz KITMMTPUKOCCJD-UONOGXRCSA-N 2 0 270.417 1.069 10 0 CDAERP C[N@@H+]1C[C@]23C[NH+](C[C@@]4(O)CCCOC4)C[C@@]2(C1)CCCC3 ZINC001460969332 969577302 /nfs/dbraw/zinc/57/73/02/969577302.db2.gz CWRBMVUAUPTEMT-BBWFWOEESA-N 2 0 294.439 1.336 10 0 CDAERP O=C(CC[N@H+]1CC[C@H](F)C1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001465296162 969863183 /nfs/dbraw/zinc/86/31/83/969863183.db2.gz GCISCCFYHCGUPH-GJZGRUSLSA-N 2 0 297.418 1.365 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]C/C=C\Cl)C2)CC[N@@H+]1C ZINC001480614748 970079625 /nfs/dbraw/zinc/07/96/25/970079625.db2.gz MPNWCHQSMFUJTG-OAAQPLQOSA-N 2 0 285.819 1.270 10 0 CDAERP C[NH+](C)CCCCC(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001520928062 970244210 /nfs/dbraw/zinc/24/42/10/970244210.db2.gz PTZLIICYODQFHN-MELADBBJSA-N 2 0 267.417 1.175 10 0 CDAERP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H](C)CC[NH+](C)C ZINC001470105302 970288989 /nfs/dbraw/zinc/28/89/89/970288989.db2.gz GMSXFHBIKIZOKT-LSDHHAIUSA-N 2 0 283.460 1.811 10 0 CDAERP CCc1nc(CNC(=O)[C@@H]2CCCC[N@@H+]2C)c[nH]1 ZINC001472018913 970536597 /nfs/dbraw/zinc/53/65/97/970536597.db2.gz OWKMVJIEFQPOSX-NSHDSACASA-N 2 0 250.346 1.073 10 0 CDAERP CN(C)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)o1 ZINC001361915981 970672096 /nfs/dbraw/zinc/67/20/96/970672096.db2.gz KMLZTDSZMUPRJW-LLVKDONJSA-N 2 0 277.368 1.308 10 0 CDAERP CC(C)C[C@H](CNC(=O)[C@@H](C)CC[NH+](C)C)[NH+](C)C ZINC001361930317 970686390 /nfs/dbraw/zinc/68/63/90/970686390.db2.gz NIMYDLLULAURTA-UONOGXRCSA-N 2 0 271.449 1.667 10 0 CDAERP CC[N@@H+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001415233093 972582646 /nfs/dbraw/zinc/58/26/46/972582646.db2.gz MDBIZKPZUPSLPA-UHFFFAOYSA-N 2 0 279.428 1.415 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)C[NH2+]CCC(F)(F)F)[NH+](C)C ZINC001495691380 972597513 /nfs/dbraw/zinc/59/75/13/972597513.db2.gz NUALPQFMBVYVQK-GHMZBOCLSA-N 2 0 297.365 1.621 10 0 CDAERP C[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)CC1CCC1 ZINC001372058894 972771796 /nfs/dbraw/zinc/77/17/96/972771796.db2.gz LYZYRWLDWLLPAA-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NCC[NH+](C)CC2CCCC2)C1 ZINC001372099786 972791445 /nfs/dbraw/zinc/79/14/45/972791445.db2.gz CHCQZGFSPYSNGG-AWEZNQCLSA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]CC[C@H]1CCCO1 ZINC001496252240 972858528 /nfs/dbraw/zinc/85/85/28/972858528.db2.gz XJLQBKWQFCRDSG-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)CC[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001372901860 973188746 /nfs/dbraw/zinc/18/87/46/973188746.db2.gz YLLUZVYDWDDIJF-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP CC[NH2+]CC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001497241060 973257869 /nfs/dbraw/zinc/25/78/69/973257869.db2.gz KRVMIOPVWFJQNP-LBPRGKRZSA-N 2 0 255.406 1.365 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H]1CC ZINC001417826851 973404308 /nfs/dbraw/zinc/40/43/08/973404308.db2.gz NGVGPHHDWLDPCT-ZNMIVQPWSA-N 2 0 283.460 1.952 10 0 CDAERP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+]CC2CCC2)CC[N@@H+]1C ZINC001497585612 973422788 /nfs/dbraw/zinc/42/27/88/973422788.db2.gz KWSPYJMTFDLXML-PRXHZCDDSA-N 2 0 279.428 1.389 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)[NH2+]CCc1ccccc1)[NH+](C)C ZINC001418238952 973689197 /nfs/dbraw/zinc/68/91/97/973689197.db2.gz UABFGQOYDUEVEL-GDBMZVCRSA-N 2 0 291.439 1.664 10 0 CDAERP Cc1nocc1C[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001418242797 973692592 /nfs/dbraw/zinc/69/25/92/973692592.db2.gz HPHXKUXLXUINDD-SMDDNHRTSA-N 2 0 294.399 1.062 10 0 CDAERP Cc1ccncc1C[NH2+][C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001418312199 973742292 /nfs/dbraw/zinc/74/22/92/973742292.db2.gz HUSBRIOUUMGSDT-CQSZACIVSA-N 2 0 292.427 1.325 10 0 CDAERP CC1CC(C[NH2+]CCCN(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001498525739 973967398 /nfs/dbraw/zinc/96/73/98/973967398.db2.gz DUSVMOABSHXXGW-NRXISQOPSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001375040040 974237825 /nfs/dbraw/zinc/23/78/25/974237825.db2.gz SDGXJNOTJKVVFA-DZGCQCFKSA-N 2 0 281.444 1.421 10 0 CDAERP CC[C@H](F)C[N@H+](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001375096303 974259807 /nfs/dbraw/zinc/25/98/07/974259807.db2.gz UEGFJLHBEVNGRK-STQMWFEESA-N 2 0 287.423 1.513 10 0 CDAERP C[C@@H](C[N@H+](C)CCC(C)(C)C)NC(=O)CC[NH+](C)C ZINC001375104180 974260804 /nfs/dbraw/zinc/26/08/04/974260804.db2.gz WYJJXCBAZJIRHF-ZDUSSCGKSA-N 2 0 271.449 1.811 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001375273825 974310744 /nfs/dbraw/zinc/31/07/44/974310744.db2.gz TUXLYASWHVBUIR-DZGCQCFKSA-N 2 0 293.455 1.613 10 0 CDAERP C[C@@H](F)CC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001375412492 974373187 /nfs/dbraw/zinc/37/31/87/974373187.db2.gz SAIQMFUNVLKABW-MGPQQGTHSA-N 2 0 297.418 1.267 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH2+]CC3CCCC3)CC2)C1 ZINC001375523708 974412261 /nfs/dbraw/zinc/41/22/61/974412261.db2.gz WQFWLHSJVRERTR-HNNXBMFYSA-N 2 0 293.455 1.757 10 0 CDAERP CCCC[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001500258576 974412611 /nfs/dbraw/zinc/41/26/11/974412611.db2.gz VCAUCIBNWQLLBG-GOEBONIOSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)=CC[NH2+]C1(CNC(=O)CC[NH+](C)C)CCOCC1 ZINC001569732501 1169977679 /nfs/dbraw/zinc/97/76/79/1169977679.db2.gz LYBDQIMBNPZCHR-UHFFFAOYSA-N 2 0 297.443 1.159 10 0 CDAERP C[C@]1(C[NH2+]C/C=C/Cl)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001500402523 974432210 /nfs/dbraw/zinc/43/22/10/974432210.db2.gz UUHJCUQJUAMGPI-CSPWOOARSA-N 2 0 299.846 1.663 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC[N@@H+]1CCOC ZINC001375605413 974435074 /nfs/dbraw/zinc/43/50/74/974435074.db2.gz COTWWYDTBLLDET-ZNMIVQPWSA-N 2 0 299.459 1.188 10 0 CDAERP CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001501084408 974529962 /nfs/dbraw/zinc/52/99/62/974529962.db2.gz VANLEIJAKWEJDT-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]([NH2+]Cc1ccns1)C1CC1 ZINC001376245019 974613406 /nfs/dbraw/zinc/61/34/06/974613406.db2.gz QCISYWIIMFFBJN-ZDUSSCGKSA-N 2 0 296.440 1.079 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NC[C@H]([NH2+]CCC(C)(C)C)C2CC2)C1 ZINC001376259674 974615925 /nfs/dbraw/zinc/61/59/25/974615925.db2.gz BPKVXLMSCHIBNO-GJZGRUSLSA-N 2 0 295.471 1.859 10 0 CDAERP COC[C@@H](C)[N@H+](C)C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001376279124 974620103 /nfs/dbraw/zinc/62/01/03/974620103.db2.gz DVZYGWOVPAEBBH-HUUCEWRRSA-N 2 0 299.459 1.143 10 0 CDAERP CO[C@H](C)C[NH2+]C1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001376672121 974707717 /nfs/dbraw/zinc/70/77/17/974707717.db2.gz UQBWFVCRYIZWRK-WLYUNCDWSA-N 2 0 297.443 1.134 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccsc1 ZINC001376789649 974770265 /nfs/dbraw/zinc/77/02/65/974770265.db2.gz BWQJIXMZFMSXPT-JSGCOSHPSA-N 2 0 295.452 1.827 10 0 CDAERP CC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1cnc(C)s1)[NH+](C)C ZINC001376855635 974794701 /nfs/dbraw/zinc/79/47/01/974794701.db2.gz MUXDDLGEJQGCJO-MFKMUULPSA-N 2 0 298.456 1.386 10 0 CDAERP CCC[N@H+](C)CCC(=O)NC1(CO)CC[NH+](CCC)CC1 ZINC001505391279 974858192 /nfs/dbraw/zinc/85/81/92/974858192.db2.gz UMVOLXWAADONQL-UHFFFAOYSA-N 2 0 299.459 1.071 10 0 CDAERP Cc1ncccc1C[NH2+][C@H](C)CCNC(=O)CC[NH+](C)C ZINC001377059785 974871552 /nfs/dbraw/zinc/87/15/52/974871552.db2.gz LULMIMZZDYHMSG-CYBMUJFWSA-N 2 0 292.427 1.326 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+](C[C@@H](F)CC)C1 ZINC001377462393 975037842 /nfs/dbraw/zinc/03/78/42/975037842.db2.gz QBGCTSNPCMJVKG-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)[N@H+](C)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001505975909 975066185 /nfs/dbraw/zinc/06/61/85/975066185.db2.gz AXUFXXCYRKNXEL-CYBMUJFWSA-N 2 0 269.433 1.706 10 0 CDAERP CC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001377708734 975117061 /nfs/dbraw/zinc/11/70/61/975117061.db2.gz TUOGCYGCBREICU-KKUMJFAQSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001377845977 975152735 /nfs/dbraw/zinc/15/27/35/975152735.db2.gz FWURNPQZTQNYNY-UONOGXRCSA-N 2 0 283.460 1.857 10 0 CDAERP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1cccnc1 ZINC001377849513 975156001 /nfs/dbraw/zinc/15/60/01/975156001.db2.gz NGBDGNXVJWHTBS-STQMWFEESA-N 2 0 278.400 1.016 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CC2CC2)CC1 ZINC001377879237 975164630 /nfs/dbraw/zinc/16/46/30/975164630.db2.gz URWIENJBTRVGBD-KGLIPLIRSA-N 2 0 295.471 2.000 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C1C[NH+](CC2CC2)C1)[NH+](C)C ZINC001506631184 975193745 /nfs/dbraw/zinc/19/37/45/975193745.db2.gz INRNUMFXYDATLU-BXUZGUMPSA-N 2 0 267.417 1.173 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC(C)C ZINC001378049393 975220274 /nfs/dbraw/zinc/22/02/74/975220274.db2.gz AKSJWHBGDLXUCP-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001506797098 975224533 /nfs/dbraw/zinc/22/45/33/975224533.db2.gz XDKPHNNSKFALGZ-YHUYYLMFSA-N 2 0 293.455 1.563 10 0 CDAERP CCCC[N@@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001378063958 975226984 /nfs/dbraw/zinc/22/69/84/975226984.db2.gz ZGNBOCLEILCACA-LSDHHAIUSA-N 2 0 281.444 1.851 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001378111049 975245385 /nfs/dbraw/zinc/24/53/85/975245385.db2.gz FQUMEMIRAUGAQV-CHWSQXEVSA-N 2 0 285.407 1.409 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](CC[C@@H](C)F)C1 ZINC001378193850 975280188 /nfs/dbraw/zinc/28/01/88/975280188.db2.gz VUFUHCNPXKGOSC-ZIAGYGMSSA-N 2 0 287.423 1.609 10 0 CDAERP CC(C)[NH2+]C[C@H](C1CC1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001507034610 975301073 /nfs/dbraw/zinc/30/10/73/975301073.db2.gz SSXPMFUNSLSQKQ-DZGCQCFKSA-N 2 0 281.444 1.563 10 0 CDAERP C[C@H](CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]CCCF ZINC001507087364 975330831 /nfs/dbraw/zinc/33/08/31/975330831.db2.gz XGOINVDSAYVMLH-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2)CN1C(=O)CC[NH+](C)C ZINC001507318130 975413273 /nfs/dbraw/zinc/41/32/73/975413273.db2.gz IBPKKYCESMIWFI-ZBFHGGJFSA-N 2 0 289.423 1.717 10 0 CDAERP Cc1cc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)CC[NH+](C)C)C2)on1 ZINC001507318603 975413977 /nfs/dbraw/zinc/41/39/77/975413977.db2.gz IZKMJNYZLPSQJN-OLZOCXBDSA-N 2 0 294.399 1.014 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@]2(C1)C[NH+](C(C)C)CCO2 ZINC001378628138 975420871 /nfs/dbraw/zinc/42/08/71/975420871.db2.gz VFSCSXARAVNMEB-MRXNPFEDSA-N 2 0 297.443 1.040 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H]1C[C@H]([NH2+]CC2CC2)C1 ZINC001397138120 975477955 /nfs/dbraw/zinc/47/79/55/975477955.db2.gz BBMQSTYLFLUXTP-RRCSTGOVSA-N 2 0 293.455 1.754 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001388697511 975558511 /nfs/dbraw/zinc/55/85/11/975558511.db2.gz IRUDWCVZFPPEMJ-MCIONIFRSA-N 2 0 297.418 1.315 10 0 CDAERP CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001379008442 975594168 /nfs/dbraw/zinc/59/41/68/975594168.db2.gz CJHYVUWGDRGTCT-CABCVRRESA-N 2 0 281.444 1.706 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001388836441 975613701 /nfs/dbraw/zinc/61/37/01/975613701.db2.gz WQSVQQYCJQIFBX-GJZGRUSLSA-N 2 0 281.444 1.661 10 0 CDAERP Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)CC[NH+](C)C)C2)c1 ZINC001405092279 975620975 /nfs/dbraw/zinc/62/09/75/975620975.db2.gz HLYCPLJCZNWEPO-MRXNPFEDSA-N 2 0 289.423 1.637 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CCC2CC2)C1 ZINC001379178090 975703059 /nfs/dbraw/zinc/70/30/59/975703059.db2.gz ZFQABACZYJTZPW-HZPDHXFCSA-N 2 0 293.455 1.661 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCCCC[C@@H]([NH2+]C[C@@H](C)O)C1 ZINC001397782464 975716467 /nfs/dbraw/zinc/71/64/67/975716467.db2.gz ZXVNFKOCFPZGMS-HUUCEWRRSA-N 2 0 299.459 1.070 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccn1 ZINC001405343715 975718531 /nfs/dbraw/zinc/71/85/31/975718531.db2.gz LWOXBOTZTUNHQP-KGLIPLIRSA-N 2 0 290.411 1.018 10 0 CDAERP Cc1ncoc1C[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001379335088 975773795 /nfs/dbraw/zinc/77/37/95/975773795.db2.gz ZSJHIMYREMQQMS-LBPRGKRZSA-N 2 0 296.415 1.260 10 0 CDAERP C[C@H](C[NH2+]Cc1c(F)cccc1F)NC(=O)CC[NH+](C)C ZINC001379416580 975826819 /nfs/dbraw/zinc/82/68/19/975826819.db2.gz IBBFYJUKFFJPMN-LLVKDONJSA-N 2 0 299.365 1.511 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@H]1C[NH+](C[C@H](C)CC)CCO1 ZINC001405742691 975841352 /nfs/dbraw/zinc/84/13/52/975841352.db2.gz SATYQIONSQXODS-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)OCC[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001401777819 975897494 /nfs/dbraw/zinc/89/74/94/975897494.db2.gz KRHBXXXBWSWFSD-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP Cc1nc(C)c(C[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C(C)C)o1 ZINC001379598367 975945968 /nfs/dbraw/zinc/94/59/68/975945968.db2.gz LQMLWKVYCCDQHQ-NSHDSACASA-N 2 0 296.415 1.226 10 0 CDAERP CC(C)C[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001379625598 975964614 /nfs/dbraw/zinc/96/46/14/975964614.db2.gz LTBXFGGPKJRMTE-GDBMZVCRSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]1[NH2+]C(C)C ZINC001401886952 975974968 /nfs/dbraw/zinc/97/49/68/975974968.db2.gz YVHRWKDWXQPBPZ-LSDHHAIUSA-N 2 0 283.460 1.952 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]CCC(F)(F)F)C2)C1 ZINC001389817956 976002071 /nfs/dbraw/zinc/00/20/71/976002071.db2.gz FGRCDYCBWVFSKM-QWRGUYRKSA-N 2 0 293.333 1.081 10 0 CDAERP Cc1nccn1CC(=O)N[C@H]1C[C@@H]([NH2+]CC[C@H](C)F)C1 ZINC001390010944 976084098 /nfs/dbraw/zinc/08/40/98/976084098.db2.gz HHFFGJAEKXDRTQ-WCFLWFBJSA-N 2 0 282.363 1.176 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H]([NH2+]C/C=C\Cl)C2)C1 ZINC001390013217 976085350 /nfs/dbraw/zinc/08/53/50/976085350.db2.gz YCBSULVDZAXZRF-VUPNNOLJSA-N 2 0 285.819 1.318 10 0 CDAERP CC(C)[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C1CCCC1 ZINC001402144660 976145057 /nfs/dbraw/zinc/14/50/57/976145057.db2.gz YORKYDMTKSACTC-OAHLLOKOSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC[C@H](C)F)C[C@H]21)[NH+](C)C ZINC001390244534 976183649 /nfs/dbraw/zinc/18/36/49/976183649.db2.gz NRIVRZZBDWXWSW-PDWCTOEPSA-N 2 0 285.407 1.121 10 0 CDAERP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC[C@@H](C)F)C[C@H]21)[NH+](C)C ZINC001390244522 976184562 /nfs/dbraw/zinc/18/45/62/976184562.db2.gz NRIVRZZBDWXWSW-DGTMBMJNSA-N 2 0 285.407 1.121 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC2([NH2+]CC3CC3)CC2)C1 ZINC001380158698 976272143 /nfs/dbraw/zinc/27/21/43/976272143.db2.gz SWCNTXPXQOFDAN-GJZGRUSLSA-N 2 0 293.455 1.755 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[NH+](CCF)C2 ZINC001402417741 976274660 /nfs/dbraw/zinc/27/46/60/976274660.db2.gz TYEXFDSQHINTPM-KKUMJFAQSA-N 2 0 299.434 1.657 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CCC1CC1 ZINC001399024673 976293235 /nfs/dbraw/zinc/29/32/35/976293235.db2.gz IHACZXIADKSZSQ-IPYPFGDCSA-N 2 0 281.444 1.611 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cncs2)C1)[NH+](C)C ZINC001402508954 976321380 /nfs/dbraw/zinc/32/13/80/976321380.db2.gz DQMASLUYXWMWCC-NQBHXWOUSA-N 2 0 296.440 1.220 10 0 CDAERP Cc1cccc(C[NH2+][C@@H](C)CNC(=O)C[NH+]2CCCC2)c1 ZINC001399116397 976348513 /nfs/dbraw/zinc/34/85/13/976348513.db2.gz OBNGTVNRTDSOPJ-HNNXBMFYSA-N 2 0 289.423 1.685 10 0 CDAERP Cc1csc(C[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C(C)C)n1 ZINC001399165528 976372166 /nfs/dbraw/zinc/37/21/66/976372166.db2.gz PKTDVTHLPOWACW-NSHDSACASA-N 2 0 298.456 1.386 10 0 CDAERP C[C@@]1(NC(=O)C[NH+]2CCCC2)CC[N@H+](CC2CCCC2)C1 ZINC001380376544 976394686 /nfs/dbraw/zinc/39/46/86/976394686.db2.gz LLPZUKXTCKJQIO-QGZVFWFLSA-N 2 0 293.455 1.853 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)Cn2ccnc2)C1 ZINC001380494974 976436397 /nfs/dbraw/zinc/43/63/97/976436397.db2.gz HBYVZWMNYCSCCU-INIZCTEOSA-N 2 0 292.427 1.757 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)CCC(C)C)CC[N@@H+]1C ZINC001390764007 976491195 /nfs/dbraw/zinc/49/11/95/976491195.db2.gz DVHUVVMUWOPYBD-LSDHHAIUSA-N 2 0 283.460 1.811 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N(C)C1C[NH+](CC2CCC2)C1 ZINC001407046714 976526054 /nfs/dbraw/zinc/52/60/54/976526054.db2.gz DZSGEWPOJKWKKK-OAHLLOKOSA-N 2 0 299.434 1.609 10 0 CDAERP CC(C)C[NH2+]CC1CC(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001402955862 976616429 /nfs/dbraw/zinc/61/64/29/976616429.db2.gz OZLHKLRINGGCPQ-UHFFFAOYSA-N 2 0 281.444 1.469 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)CC1CC1 ZINC001390978298 976631604 /nfs/dbraw/zinc/63/16/04/976631604.db2.gz GWULQWCQYLKZBD-CVEARBPZSA-N 2 0 293.455 1.851 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CCC2CC2)C1 ZINC001381123326 976682940 /nfs/dbraw/zinc/68/29/40/976682940.db2.gz LNHUVDGNTLKJFW-DZGCQCFKSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)Cc1ccsc1 ZINC001403163270 976775499 /nfs/dbraw/zinc/77/54/99/976775499.db2.gz HEOBRQQZYWKVPI-GFCCVEGCSA-N 2 0 283.441 1.636 10 0 CDAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[N@H+](C)CC1CCCC1 ZINC001403180867 976793278 /nfs/dbraw/zinc/79/32/78/976793278.db2.gz JABRNVAXZKDXLT-AWEZNQCLSA-N 2 0 293.455 1.709 10 0 CDAERP C[N@H+](C/C=C/Cl)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001403273163 976846578 /nfs/dbraw/zinc/84/65/78/976846578.db2.gz JJASBNXTAZVXLJ-AMVTZNPPSA-N 2 0 299.846 1.756 10 0 CDAERP CC(C)C[NH+]1CC([C@@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001403320832 976880934 /nfs/dbraw/zinc/88/09/34/976880934.db2.gz JTFWJNLRCIMILO-GDBMZVCRSA-N 2 0 295.471 1.953 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC2CC2)CC1(C)C ZINC001403356541 976904208 /nfs/dbraw/zinc/90/42/08/976904208.db2.gz IPVODUDHMANKEY-CQSZACIVSA-N 2 0 281.444 1.565 10 0 CDAERP CCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001400229798 976941712 /nfs/dbraw/zinc/94/17/12/976941712.db2.gz OYVBPNMHFAUBGV-LSDHHAIUSA-N 2 0 283.460 1.907 10 0 CDAERP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC[C@@H](C)F ZINC001391536526 976941730 /nfs/dbraw/zinc/94/17/30/976941730.db2.gz HNUXAPOFLDTVHV-RDBSUJKOSA-N 2 0 285.407 1.360 10 0 CDAERP CC(C)[C@@H](CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCF ZINC001381722106 976991095 /nfs/dbraw/zinc/99/10/95/976991095.db2.gz XYIRXIIMOXECPL-ZIAGYGMSSA-N 2 0 287.423 1.370 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cncs1 ZINC001391661748 977026819 /nfs/dbraw/zinc/02/68/19/977026819.db2.gz JXGPBNHAWPKXPQ-AAEUAGOBSA-N 2 0 296.440 1.222 10 0 CDAERP C[C@H](CN(C)C(=O)C[N@H+](C)C1CCC1)[NH2+]CC[C@H](C)F ZINC001403557578 977063293 /nfs/dbraw/zinc/06/32/93/977063293.db2.gz PWBRTJXUYYUCKK-QWHCGFSZSA-N 2 0 287.423 1.655 10 0 CDAERP C[C@@H](F)CC[NH+]1CC(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001400523338 977075675 /nfs/dbraw/zinc/07/56/75/977075675.db2.gz LAXPEQFZADBSLY-CYBMUJFWSA-N 2 0 299.434 1.514 10 0 CDAERP CO[C@H](C)C[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001403573417 977076755 /nfs/dbraw/zinc/07/67/55/977076755.db2.gz BEFJSKCNYZQQLR-UONOGXRCSA-N 2 0 299.459 1.332 10 0 CDAERP CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001381923740 977083914 /nfs/dbraw/zinc/08/39/14/977083914.db2.gz URQKNVUNVWULGU-LVQVYYBASA-N 2 0 295.471 1.667 10 0 CDAERP CCCC[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001403790170 977193337 /nfs/dbraw/zinc/19/33/37/977193337.db2.gz JJKJIGFRCZXSEN-GDBMZVCRSA-N 2 0 281.444 1.851 10 0 CDAERP C[C@@H]1[C@@H]([NH2+]Cc2nccs2)CCN1C(=O)CC[NH+](C)C ZINC001382288219 977237817 /nfs/dbraw/zinc/23/78/17/977237817.db2.gz PXNACSZYEVABQL-NEPJUHHUSA-N 2 0 296.440 1.174 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]([NH2+]CC1CCC1)C(C)C)[NH+](C)C ZINC001392227677 977273473 /nfs/dbraw/zinc/27/34/73/977273473.db2.gz NYHYMTOSVMAWJG-HUUCEWRRSA-N 2 0 283.460 1.857 10 0 CDAERP Cc1ncc(C[NH2+][C@H](CNC(=O)CC[NH+](C)C)C(C)C)o1 ZINC001392233874 977275046 /nfs/dbraw/zinc/27/50/46/977275046.db2.gz NFKYCPHROHMITK-CQSZACIVSA-N 2 0 296.415 1.165 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@@H](C[NH2+]CC2CC2)C(C)(C)C)C1 ZINC001382532950 977302378 /nfs/dbraw/zinc/30/23/78/977302378.db2.gz LTIPIXOJKNBXGV-HIFRSBDPSA-N 2 0 295.471 1.859 10 0 CDAERP CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001382550770 977305675 /nfs/dbraw/zinc/30/56/75/977305675.db2.gz IYSOJDRTJIVCTP-UKRRQHHQSA-N 2 0 283.460 1.809 10 0 CDAERP CC[C@H](C(=O)NC[C@H]1CC[N@H+](C/C=C\Cl)C1)[NH+](C)C ZINC001404080018 977330791 /nfs/dbraw/zinc/33/07/91/977330791.db2.gz RPJQPCDYMUCTAJ-WFMXKNRHSA-N 2 0 287.835 1.517 10 0 CDAERP C[C@H](C[NH2+]CC1CCCC1)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001392531027 977472900 /nfs/dbraw/zinc/47/29/00/977472900.db2.gz MRQORKICKSISFZ-PBHICJAKSA-N 2 0 293.455 1.757 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](CCF)C3)CC1 ZINC001393375137 977773726 /nfs/dbraw/zinc/77/37/26/977773726.db2.gz NPNNTOJUAYIXJP-MJBXVCDLSA-N 2 0 297.418 1.267 10 0 CDAERP C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C[NH2+]CC1CCC1 ZINC001393391653 977776117 /nfs/dbraw/zinc/77/61/17/977776117.db2.gz CTSCMUKCHLXVMI-HOCLYGCPSA-N 2 0 295.471 1.812 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CC1 ZINC001393469054 977793076 /nfs/dbraw/zinc/79/30/76/977793076.db2.gz WUXWMGZEJGGJBR-HUUCEWRRSA-N 2 0 279.428 1.413 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001393646085 977883584 /nfs/dbraw/zinc/88/35/84/977883584.db2.gz WQFSLNCLPXRILV-AWEZNQCLSA-N 2 0 287.423 1.611 10 0 CDAERP CC[NH2+]CC(C)(C)CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001394021524 978008645 /nfs/dbraw/zinc/00/86/45/978008645.db2.gz OPCSKWLYVSFDHM-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H](NC(=O)CC[NH+](C)C)C1C[NH+](CCC(F)(F)F)C1 ZINC001394251945 978118882 /nfs/dbraw/zinc/11/88/82/978118882.db2.gz OZIFXKAGEXDMPA-JTQLQIEISA-N 2 0 295.349 1.327 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CCNC(=O)C[NH+]1CCCC1 ZINC001674257962 1173928478 /nfs/dbraw/zinc/92/84/78/1173928478.db2.gz IAZRFSBDXMYIKX-AWEZNQCLSA-N 2 0 267.417 1.533 10 0 CDAERP CCC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)CC1(C)C ZINC001677032373 1174308610 /nfs/dbraw/zinc/30/86/10/1174308610.db2.gz CLAMDZMTIHVFEB-CYBMUJFWSA-N 2 0 269.433 1.565 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C ZINC001571636522 1170504665 /nfs/dbraw/zinc/50/46/65/1170504665.db2.gz CENHYBBBPGDCTI-ZDUSSCGKSA-N 2 0 271.449 1.859 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@@H]1CN(C)C(=O)CCC[NH+](C)C ZINC001656089468 1171760828 /nfs/dbraw/zinc/76/08/28/1171760828.db2.gz UHIBIINLPRZLPD-OAHLLOKOSA-N 2 0 281.444 1.827 10 0 CDAERP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)[C@H]1CCCCO1 ZINC000623862372 342492675 /nfs/dbraw/zinc/49/26/75/342492675.db2.gz SBQQSPTYTZVBER-HZPDHXFCSA-N 2 0 283.460 1.561 10 0 CDAERP COC(=O)[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000600176039 341982989 /nfs/dbraw/zinc/98/29/89/341982989.db2.gz SUDLIELOUSCEEU-SDDRHHMPSA-N 2 0 254.374 1.400 10 0 CDAERP CCN(C(=O)C[NH+](CC)CC)[C@H]1CC[N@H+](CC)C1 ZINC000617927749 342480186 /nfs/dbraw/zinc/48/01/86/342480186.db2.gz BYICFQOYLVKLKJ-ZDUSSCGKSA-N 2 0 255.406 1.271 10 0 CDAERP C[C@@H]1CN(C(=O)Nc2ccc(C[NH3+])cc2)C[C@H]1[NH+](C)C ZINC000124473457 187139205 /nfs/dbraw/zinc/13/92/05/187139205.db2.gz FWXWZWKSUKNQGR-BXUZGUMPSA-N 2 0 276.384 1.559 10 0 CDAERP CC(C)[N@@H+]1CCCN(C(=O)N[C@H]2CCC[NH+](C)C2)CC1 ZINC000590161885 342523587 /nfs/dbraw/zinc/52/35/87/342523587.db2.gz RZKODRMMYOZOTK-AWEZNQCLSA-N 2 0 282.432 1.206 10 0 CDAERP CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000601270675 342547785 /nfs/dbraw/zinc/54/77/85/342547785.db2.gz ZOSCFWRNSIEOMU-CQSZACIVSA-N 2 0 282.432 1.253 10 0 CDAERP NC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000650743217 398172436 /nfs/dbraw/zinc/17/24/36/398172436.db2.gz OMZNCTWGWVDJOO-XHJNMGKDSA-N 2 0 265.401 1.151 10 0 CDAERP CC(C)[C@@H](Cn1cccn1)[NH2+]CCC1(C[NH3+])CC1 ZINC000650746874 398173848 /nfs/dbraw/zinc/17/38/48/398173848.db2.gz MPZFXJQHMVSWHM-CYBMUJFWSA-N 2 0 250.390 1.626 10 0 CDAERP COc1ccc(C[C@H](C)[NH2+]CCC2(C[NH3+])CC2)cn1 ZINC000650747860 398174151 /nfs/dbraw/zinc/17/41/51/398174151.db2.gz JENQEYXQBQYKDB-LBPRGKRZSA-N 2 0 263.385 1.740 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CNc2ccccc2C1 ZINC000650747672 398175005 /nfs/dbraw/zinc/17/50/05/398175005.db2.gz FLXHUPXVOQSGMJ-KBPBESRZSA-N 2 0 263.385 1.367 10 0 CDAERP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000650757845 398180999 /nfs/dbraw/zinc/18/09/99/398180999.db2.gz CAFXFESRPHZYIG-CXAGYDPISA-N 2 0 273.424 1.978 10 0 CDAERP Cc1cccc2c(NCC[N@@H+]3CC[C@H](O)C3)c(C)c[nH+]c12 ZINC000624772717 342014445 /nfs/dbraw/zinc/01/44/45/342014445.db2.gz DMGPCJIGZHKNIN-AWEZNQCLSA-N 2 0 285.391 1.752 10 0 CDAERP C[NH+](C)CCc1ccc(CNC2=[NH+]CCCN2)cc1 ZINC000262420205 282114583 /nfs/dbraw/zinc/11/45/83/282114583.db2.gz QULSMXDVZKPSBQ-UHFFFAOYSA-N 2 0 260.385 1.230 10 0 CDAERP CCO[C@H](C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21)C1CC1 ZINC000625262095 342059818 /nfs/dbraw/zinc/05/98/18/342059818.db2.gz COYIFIDAHFANHS-MWDXBVQZSA-N 2 0 296.455 1.985 10 0 CDAERP O=C(C[N@@H+]1CCC[C@H]1C1CC1)NC1CC[NH+](C2CC2)CC1 ZINC000591377169 342629404 /nfs/dbraw/zinc/62/94/04/342629404.db2.gz HLGFGXJJCKDLAP-INIZCTEOSA-N 2 0 291.439 1.604 10 0 CDAERP C[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCC[NH2+]C1 ZINC000418308917 299074409 /nfs/dbraw/zinc/07/44/09/299074409.db2.gz HFVVTKFEYJIARX-KCQAQPDRSA-N 2 0 294.443 1.253 10 0 CDAERP CS[C@@H]1CC[C@@H]1[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000591836915 342648283 /nfs/dbraw/zinc/64/82/83/342648283.db2.gz RHMWHYIAHNEQTG-AEGPPILISA-N 2 0 283.485 1.639 10 0 CDAERP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000624312077 342151277 /nfs/dbraw/zinc/15/12/77/342151277.db2.gz ISJZZAAHGJPYRG-ZQNQSHIBSA-N 2 0 252.402 1.874 10 0 CDAERP C[NH+](C)C[C@](C)(O)C[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000341402313 282143936 /nfs/dbraw/zinc/14/39/36/282143936.db2.gz LOKXPFACYCHGPX-ZJIFWQFVSA-N 2 0 284.444 1.484 10 0 CDAERP C[N@@H+]1CC[C@]2(CC[NH+](CCOC3CCOCC3)C2)C1 ZINC000625445659 342166927 /nfs/dbraw/zinc/16/69/27/342166927.db2.gz GSPPWXIHCGUSKC-HNNXBMFYSA-N 2 0 268.401 1.210 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000333358055 539051966 /nfs/dbraw/zinc/05/19/66/539051966.db2.gz KPAYQJNYJZNDEY-RRFJBIMHSA-N 2 0 296.459 1.676 10 0 CDAERP Cc1[nH+]ccc(N2CC[NH2+]C[C@@H]2C)c1Br ZINC000669380275 539072284 /nfs/dbraw/zinc/07/22/84/539072284.db2.gz WKQQAILUDTWOMH-QMMMGPOBSA-N 2 0 270.174 1.951 10 0 CDAERP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000151326513 539073563 /nfs/dbraw/zinc/07/35/63/539073563.db2.gz XTGTZRMEHHVIOG-GJZGRUSLSA-N 2 0 299.459 1.070 10 0 CDAERP COCC[C@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000353340081 539097540 /nfs/dbraw/zinc/09/75/40/539097540.db2.gz RMWZOWPLSPPLPP-PMRDEQMMSA-N 2 0 295.471 1.654 10 0 CDAERP C=Cn1cc(C[N@@H+]2CCC[C@H]2Cn2ccnc2)cn1 ZINC000194642280 539159303 /nfs/dbraw/zinc/15/93/03/539159303.db2.gz PJEDSFXKHCFYMB-AWEZNQCLSA-N 2 0 257.341 1.845 10 0 CDAERP C[C@H]([NH3+])C1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000111611847 365690602 /nfs/dbraw/zinc/69/06/02/365690602.db2.gz UXFPRZQHOHHTKO-LBPRGKRZSA-N 2 0 267.417 1.495 10 0 CDAERP C[NH2+]CCC1CC[NH+](Cc2ccc(OC)nc2)CC1 ZINC000158325039 342282219 /nfs/dbraw/zinc/28/22/19/342282219.db2.gz QJLKKWHLQYXVDO-UHFFFAOYSA-N 2 0 263.385 1.912 10 0 CDAERP C[NH+](C)[C@@H]1CCN(C(=O)[C@](C)([NH3+])c2ccccc2)C1 ZINC000062972365 282200087 /nfs/dbraw/zinc/20/00/87/282200087.db2.gz OSQBIZHGLSDVBY-UKRRQHHQSA-N 2 0 261.369 1.023 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000594921121 342987141 /nfs/dbraw/zinc/98/71/41/342987141.db2.gz BMNFWZTUPHADDC-GBJTYRQASA-N 2 0 298.427 1.011 10 0 CDAERP COC(=O)C(C)(C)CCN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595864317 343175145 /nfs/dbraw/zinc/17/51/45/343175145.db2.gz SNUMKGRPHMWJLN-AWEZNQCLSA-N 2 0 298.427 1.107 10 0 CDAERP Cc1nc(C)c(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000628214141 362144840 /nfs/dbraw/zinc/14/48/40/362144840.db2.gz MBTFUFMWBRPXJE-CQSZACIVSA-N 2 0 292.427 1.550 10 0 CDAERP CCC1(CC)[C@H]([NH2+]CC2([NH3+])CCOCC2)C[C@H]1OC ZINC000629523809 362140071 /nfs/dbraw/zinc/14/00/71/362140071.db2.gz JNSGDRNYVPFUNI-CHWSQXEVSA-N 2 0 270.417 1.678 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H]1CCCc2ccc(OC)cc21 ZINC000629529337 362155319 /nfs/dbraw/zinc/15/53/19/362155319.db2.gz ZVSUETUNSJIOLQ-MRXNPFEDSA-N 2 0 278.396 1.898 10 0 CDAERP CCc1cccnc1[C@@H](C)[NH2+]CCOCC[NH2+]C ZINC000629530141 362161133 /nfs/dbraw/zinc/16/11/33/362161133.db2.gz WQAKHODSWFVSKP-GFCCVEGCSA-N 2 0 251.374 1.531 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](C)c1ccncc1 ZINC000629532249 362164747 /nfs/dbraw/zinc/16/47/47/362164747.db2.gz SJOSDMLACLCHBR-GXTWGEPZSA-N 2 0 251.374 1.529 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000262008040 282251543 /nfs/dbraw/zinc/25/15/43/282251543.db2.gz MBWOOMYDRRHXMH-OLZOCXBDSA-N 2 0 285.395 1.758 10 0 CDAERP C[C@@H](Nc1nc(N)[nH+]c2c1CCCC2)C(C)(C)C[NH+](C)C ZINC000645180405 362226130 /nfs/dbraw/zinc/22/61/30/362226130.db2.gz ABWDIKRSJHXFDR-LLVKDONJSA-N 2 0 291.443 1.578 10 0 CDAERP CC[N@H+](C)C[C@H]1CCN(c2nc(N)[nH+]c3c2CCCC3)C1 ZINC000645181439 362227354 /nfs/dbraw/zinc/22/73/54/362227354.db2.gz FMSVRGBLHFCWAF-GFCCVEGCSA-N 2 0 289.427 1.546 10 0 CDAERP CCC(CC)[C@H](CN[C@@H](C1CC1)[C@H]1C[NH2+]CCO1)[NH+](C)C ZINC000422961975 282276965 /nfs/dbraw/zinc/27/69/65/282276965.db2.gz DQHXUEUWMNDROK-BBWFWOEESA-N 2 0 297.487 1.709 10 0 CDAERP COCCN1CCC[C@@H]1C[NH2+][C@@H](COC)C1CCCC1 ZINC000446837403 362384000 /nfs/dbraw/zinc/38/40/00/362384000.db2.gz ZSHPPRJYGPBKGK-CVEARBPZSA-N 2 0 284.444 1.892 10 0 CDAERP C(CN1CC[C@]2(C1)CCC[NH2+]C2)C[NH+]1CCCCC1 ZINC000257693406 344370868 /nfs/dbraw/zinc/37/08/68/344370868.db2.gz OCSLLEGPGUZBCJ-MRXNPFEDSA-N 3 0 265.445 1.938 10 0 CDAERP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000263264907 362407920 /nfs/dbraw/zinc/40/79/20/362407920.db2.gz NIJRYKGZNGENMP-SOUVJXGZSA-N 2 0 281.444 1.885 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000262664048 344696790 /nfs/dbraw/zinc/69/67/90/344696790.db2.gz HWZWPGTWOKPSFK-MROQNXINSA-N 2 0 253.390 1.103 10 0 CDAERP CC(C)CN1CC[N@H+](CC(C)C)C[C@H]1C1=[NH+]CCN1 ZINC000033995070 344826833 /nfs/dbraw/zinc/82/68/33/344826833.db2.gz JTSKQFUFJJIQMW-AWEZNQCLSA-N 2 0 266.433 1.286 10 0 CDAERP CN(CC(C)(C)C[NH3+])C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000262403421 282367282 /nfs/dbraw/zinc/36/72/82/282367282.db2.gz ALFXWDGMMPNKJX-AVGNSLFASA-N 2 0 267.417 1.350 10 0 CDAERP Cc1cc(C[NH2+]CCCC[NH+]2CCN(C)CC2)ccn1 ZINC000623356930 346085279 /nfs/dbraw/zinc/08/52/79/346085279.db2.gz PGFKMESJXPIFQF-UHFFFAOYSA-N 2 0 276.428 1.507 10 0 CDAERP C[N@H+]1[C@@H]2CC[C@H]1CC(CNC(=O)[C@@H]1CCCC[C@@H]1[NH3+])C2 ZINC000085369640 179039858 /nfs/dbraw/zinc/03/98/58/179039858.db2.gz YOPZKTIHNVOWPG-ZKXZWOTCSA-N 2 0 279.428 1.493 10 0 CDAERP CC(C)(C)[NH+]1CCN(C(=O)[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000085372411 179042284 /nfs/dbraw/zinc/04/22/84/179042284.db2.gz IYKNTULSQQWTKC-RYUDHWBXSA-N 2 0 253.390 1.057 10 0 CDAERP CC(C)NC(=O)C[N@@H+]1CCCCC[C@H]1C1CC[NH2+]CC1 ZINC000085403663 179052983 /nfs/dbraw/zinc/05/29/83/179052983.db2.gz WOYOCCXRHMDKER-HNNXBMFYSA-N 2 0 281.444 1.755 10 0 CDAERP C1CC1c1nc2c(n1[C@H]1C[NH+]3CCC1CC3)CC[NH2+]C2 ZINC000085568719 179095180 /nfs/dbraw/zinc/09/51/80/179095180.db2.gz CZIYDUKJBQBTBA-HNNXBMFYSA-N 2 0 272.396 1.673 10 0 CDAERP Cc1nc2c(n1C[C@H](C)C[NH+]1CCCC1)CC[NH2+]C2 ZINC000085572212 179096979 /nfs/dbraw/zinc/09/69/79/179096979.db2.gz VCFNVNLRJYAESC-GFCCVEGCSA-N 2 0 262.401 1.569 10 0 CDAERP C[C@@H]1C[N@H+](CCCOCC(F)(F)F)CCC[NH2+]1 ZINC000085610197 179101051 /nfs/dbraw/zinc/10/10/51/179101051.db2.gz LZAQTKGTOYYLEC-SNVBAGLBSA-N 2 0 254.296 1.639 10 0 CDAERP Cc1nccn1CC[N@@H+]1CCC[NH2+]C2(CCCC2)C1 ZINC000085612566 179102561 /nfs/dbraw/zinc/10/25/61/179102561.db2.gz MHMWZNYRJQNLLS-UHFFFAOYSA-N 2 0 262.401 1.800 10 0 CDAERP CC(C)[C@H]1C[N@H+](CCCn2ccnc2)[C@@H](C)CC[NH2+]1 ZINC000085617781 179103763 /nfs/dbraw/zinc/10/37/63/179103763.db2.gz IFLZCMGNABMIBJ-LSDHHAIUSA-N 2 0 264.417 1.982 10 0 CDAERP C[C@H](CO[C@H]1CCOC1)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623443526 346757331 /nfs/dbraw/zinc/75/73/31/346757331.db2.gz DCIQMQKITSRHRV-MCIONIFRSA-N 2 0 270.417 1.643 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCO[C@H]2CCOC2)CC1(C)C ZINC000623445159 346760968 /nfs/dbraw/zinc/76/09/68/346760968.db2.gz FOHAVSSRKDUUNX-KBPBESRZSA-N 2 0 270.417 1.644 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000252612383 346747428 /nfs/dbraw/zinc/74/74/28/346747428.db2.gz WIVYATCIPSGIRY-XQQFMLRXSA-N 2 0 255.406 1.077 10 0 CDAERP C[C@H](C(=O)N(C)CCC[NH+](C)C)[NH+]1CCCCCC1 ZINC000540517790 282510699 /nfs/dbraw/zinc/51/06/99/282510699.db2.gz YCESFKSZEPGWFS-CQSZACIVSA-N 2 0 269.433 1.661 10 0 CDAERP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(-c2cnn(C)c2)no1 ZINC000566244257 370657871 /nfs/dbraw/zinc/65/78/71/370657871.db2.gz HACUSSVLYVSSMU-GHMZBOCLSA-N 2 0 275.356 1.244 10 0 CDAERP CCC[NH2+][C@H](CCO)CN1CC[NH+](C2CCCC2)CC1 ZINC000085922671 179201648 /nfs/dbraw/zinc/20/16/48/179201648.db2.gz PBYOZRYXWLDUMM-OAHLLOKOSA-N 2 0 283.460 1.297 10 0 CDAERP CC[C@@H](C)[C@H]1CN(C[C@@H]2CC[N@H+](CC)C2)CC[NH2+]1 ZINC000086141828 179236911 /nfs/dbraw/zinc/23/69/11/179236911.db2.gz UXMDIGGGJNMBDS-RBSFLKMASA-N 2 0 253.434 1.648 10 0 CDAERP C[NH+]1CCC(C[N@@H+]2CCN[C@@H](Cc3ccccc3)C2)CC1 ZINC000086145669 179237292 /nfs/dbraw/zinc/23/72/92/179237292.db2.gz KURHESCZKITESE-SFHVURJKSA-N 2 0 287.451 1.845 10 0 CDAERP CC[C@@H]1CN([C@@H]2C[NH+]3CCC2CC3)[C@@H](CC)C[NH2+]1 ZINC000086182693 179247427 /nfs/dbraw/zinc/24/74/27/179247427.db2.gz XCGZBTDBQAOSLD-QLFBSQMISA-N 2 0 251.418 1.543 10 0 CDAERP CC[N@@H+]1CCC[C@H](N2C[C@@](C)(C3CC3)[NH2+]C[C@@H]2C)C1 ZINC000086225388 179252991 /nfs/dbraw/zinc/25/29/91/179252991.db2.gz IJCDZTLALVOSQP-BPUTZDHNSA-N 2 0 265.445 1.933 10 0 CDAERP C[C@@H]1C[NH2+]C2(CCCC2)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086259645 179259044 /nfs/dbraw/zinc/25/90/44/179259044.db2.gz HBHLSXFPDVWYHD-UKRRQHHQSA-N 2 0 263.429 1.830 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2CCO)CC1(C)C ZINC000623497253 347605215 /nfs/dbraw/zinc/60/52/15/347605215.db2.gz CGKDSEPPIQJWKW-RDBSUJKOSA-N 2 0 254.418 2.000 10 0 CDAERP CO[C@@H]1COCC[C@H]1C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623538141 347621464 /nfs/dbraw/zinc/62/14/64/347621464.db2.gz YJUTVBXSMJOVSG-MELADBBJSA-N 2 0 270.417 1.500 10 0 CDAERP CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623511180 347611386 /nfs/dbraw/zinc/61/13/86/347611386.db2.gz CQPONFHGFPBMLV-HUUCEWRRSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H](O)CC[N@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000450776298 362904536 /nfs/dbraw/zinc/90/45/36/362904536.db2.gz HKCBLBVXIZYLLW-DOTOQJQBSA-N 2 0 292.423 1.326 10 0 CDAERP C[C@H]([NH2+]CCOCCC[NH3+])c1ccc(F)cc1F ZINC000629535557 362961019 /nfs/dbraw/zinc/96/10/19/362961019.db2.gz CKQQOEXDWBVUGE-JTQLQIEISA-N 2 0 258.312 1.981 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000414694807 365965756 /nfs/dbraw/zinc/96/57/56/365965756.db2.gz GAGWETJQGVRLRH-GJZGRUSLSA-N 2 0 253.434 1.778 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000629541322 362965489 /nfs/dbraw/zinc/96/54/89/362965489.db2.gz YIDBHXGCNXBDBT-QLFBSQMISA-N 2 0 270.417 1.537 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000629546342 362972752 /nfs/dbraw/zinc/97/27/52/362972752.db2.gz OYGUOMYVRDZIII-NJVJYBDUSA-N 2 0 252.402 1.922 10 0 CDAERP CC[C@@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000629549999 362983157 /nfs/dbraw/zinc/98/31/57/362983157.db2.gz VEKFTHVEKLPJEF-KGLIPLIRSA-N 2 0 281.444 1.755 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)[C@H](C)c1cccc(OC)c1 ZINC000629570222 363016716 /nfs/dbraw/zinc/01/67/16/363016716.db2.gz AHZBFYDTMNSEAH-CYBMUJFWSA-N 2 0 266.385 1.924 10 0 CDAERP C[NH+](C)CC1CCC([NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000629569407 363021163 /nfs/dbraw/zinc/02/11/63/363021163.db2.gz BYRIVXRWCXMBML-GPANFISMSA-N 3 0 283.460 1.153 10 0 CDAERP C[C@H](CNc1ccnc(C2CC2)n1)CN1CCOCC1 ZINC000150919860 363026364 /nfs/dbraw/zinc/02/63/64/363026364.db2.gz RAXRBIOJCTUPLF-GFCCVEGCSA-N 2 0 276.384 1.734 10 0 CDAERP CC[C@@H](Cn1cncn1)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624123212 351429436 /nfs/dbraw/zinc/42/94/36/351429436.db2.gz IDJZENHFAXREEX-KBPBESRZSA-N 2 0 265.405 1.378 10 0 CDAERP C[C@H]1CCC[C@H](C)N1C(=O)CN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584047 363039183 /nfs/dbraw/zinc/03/91/83/363039183.db2.gz KNFYQCCUYFXSJK-NXNVCVFFSA-N 2 0 293.455 1.707 10 0 CDAERP C[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)C1CC[NH+](C)CC1 ZINC000624222397 351490252 /nfs/dbraw/zinc/49/02/52/351490252.db2.gz WYTDWKZVUGBWJW-TUKIKUTGSA-N 2 0 252.402 1.874 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000629678777 363328658 /nfs/dbraw/zinc/32/86/58/363328658.db2.gz KDCBOUSQVVKWRS-UHFFFAOYSA-N 2 0 280.397 1.593 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000352408391 363397446 /nfs/dbraw/zinc/39/74/46/363397446.db2.gz HKTCANBDPGBWQK-HZSPNIEDSA-N 2 0 269.433 1.706 10 0 CDAERP O=C([C@H]1CCCC[NH2+]1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000037826151 356543438 /nfs/dbraw/zinc/54/34/38/356543438.db2.gz BQZQRKYMOHUDTG-OAHLLOKOSA-N 2 0 279.428 1.463 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000418196645 283177314 /nfs/dbraw/zinc/17/73/14/283177314.db2.gz DNNKWTINNOTIMD-MCIONIFRSA-N 2 0 284.448 1.404 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)N[C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423140036 283187411 /nfs/dbraw/zinc/18/74/11/283187411.db2.gz MAWNXQGSPSWOMU-NUEKZKHPSA-N 2 0 283.460 1.463 10 0 CDAERP CC1([NH+]2CCOCC2)CCC([NH+]2CCC(O)CC2)CC1 ZINC000725262562 538454749 /nfs/dbraw/zinc/45/47/49/538454749.db2.gz HAWOABGRHVXLCC-UHFFFAOYSA-N 2 0 282.428 1.477 10 0 CDAERP CC(C)C(=O)Nc1ncc(CN2CC[C@H]([NH3+])[C@@H](C)C2)s1 ZINC000725272656 538463812 /nfs/dbraw/zinc/46/38/12/538463812.db2.gz SQLYICGIHRCFMO-JQWIXIFHSA-N 2 0 296.440 1.907 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCC[C@H]([NH3+])C1)C[NH+]1CCCCC1 ZINC000070576861 356900331 /nfs/dbraw/zinc/90/03/31/356900331.db2.gz BJQTWJNKUIGZJY-ILXRZTDVSA-N 2 0 281.444 1.742 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCC[C@@H](OC)C2)CC1 ZINC000684369803 482776832 /nfs/dbraw/zinc/77/68/32/482776832.db2.gz BCKKVNCRLMRZSN-BZUAXINKSA-N 2 0 283.460 1.560 10 0 CDAERP C[C@H]([NH2+]C[C@@H](O)C[C@](C)(O)C1CC1)C(C)(C)C[NH+](C)C ZINC000634705986 357380323 /nfs/dbraw/zinc/38/03/23/357380323.db2.gz JAUUDCZIRUNZEA-NOLJZWGESA-N 2 0 286.460 1.464 10 0 CDAERP CC[N@H+](CCO)CCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001660529311 1172230379 /nfs/dbraw/zinc/23/03/79/1172230379.db2.gz QOUKDLYTKRQCCQ-UHFFFAOYSA-N 2 0 299.459 1.071 10 0 CDAERP CCC[N@H+](C[C@H]1CCCCO1)C[C@](C)(O)C[NH2+]C ZINC000569583140 358644545 /nfs/dbraw/zinc/64/45/45/358644545.db2.gz IYTUHBARFNKJJV-ZIAGYGMSSA-N 2 0 258.406 1.238 10 0 CDAERP C[N@@H+]1C[C@H]2CCN(C(=O)Cc3cn4ccccc4n3)[C@@H]2C1 ZINC000644815516 358591981 /nfs/dbraw/zinc/59/19/81/358591981.db2.gz PNONFLXIAXIWDB-TZMCWYRMSA-N 2 0 284.363 1.039 10 0 CDAERP CC(C)C[C@H](CNC(=O)C[C@@H]1CCC[NH2+]C1)[NH+](C)C ZINC000054308743 358711991 /nfs/dbraw/zinc/71/19/91/358711991.db2.gz PLKYYBOAGNXYPQ-UONOGXRCSA-N 2 0 269.433 1.469 10 0 CDAERP C(C[NH+]1CCCC1)C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000162315072 358837414 /nfs/dbraw/zinc/83/74/14/358837414.db2.gz NWDRRGQBMWAEGF-CABCVRRESA-N 2 0 252.402 1.973 10 0 CDAERP COc1cc(C)nc(CN2CC[C@H]3C[N@H+](C)C[C@H]32)c1 ZINC000644734036 366482609 /nfs/dbraw/zinc/48/26/09/366482609.db2.gz XGYRLOHRNKDNFQ-SWLSCSKDSA-N 2 0 261.369 1.535 10 0 CDAERP O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCC2(CC[NH2+]2)CC1 ZINC000335228261 359069364 /nfs/dbraw/zinc/06/93/64/359069364.db2.gz UAUIIHBYSWISSD-KBPBESRZSA-N 2 0 292.427 1.151 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)CC[C@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000261912751 359086891 /nfs/dbraw/zinc/08/68/91/359086891.db2.gz WQFSAMMXYKUXAH-KKUMJFAQSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H]1CN(Cc2cccc(-n3cccn3)c2)C[C@@H]1[NH3+] ZINC000261923329 359090634 /nfs/dbraw/zinc/09/06/34/359090634.db2.gz BWJOLTUWHPZOQH-DOMZBBRYSA-N 2 0 256.353 1.651 10 0 CDAERP C[C@]1(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)CC[NH2+]C1 ZINC000261974119 359110122 /nfs/dbraw/zinc/11/01/22/359110122.db2.gz INNRAZJQONZZRI-CABCVRRESA-N 2 0 252.402 1.877 10 0 CDAERP C[C@@]1(CN2CC[C@H](C[NH+]3CCCC3)C2)CC[NH2+]C1 ZINC000261992732 359116995 /nfs/dbraw/zinc/11/69/95/359116995.db2.gz KKEJOZVAIYHODI-HUUCEWRRSA-N 2 0 251.418 1.404 10 0 CDAERP CC[C@@H]1CN(C[C@]2(C)CC[NH2+]C2)CC[N@@H+]1CCOC ZINC000262012267 359123152 /nfs/dbraw/zinc/12/31/52/359123152.db2.gz MHZWCTBLGRCSIR-HUUCEWRRSA-N 2 0 269.433 1.029 10 0 CDAERP Cn1cc(C[C@H]2CC[N@H+](C[C@]3(C)CC[NH2+]C3)C2)cn1 ZINC000572363923 359151476 /nfs/dbraw/zinc/15/14/76/359151476.db2.gz LRQCMASGRNTZFG-UKRRQHHQSA-N 2 0 262.401 1.284 10 0 CDAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H]1CCC[NH+]1C ZINC000272040361 359445602 /nfs/dbraw/zinc/44/56/02/359445602.db2.gz XXFUSONIWZNWJG-GOEBONIOSA-N 2 0 289.423 1.717 10 0 CDAERP C[C@H]1NC(=O)CC[C@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000440940676 291185003 /nfs/dbraw/zinc/18/50/03/291185003.db2.gz IBOIBKLNIFGTCK-CHWSQXEVSA-N 2 0 253.390 1.119 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCN[C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422888135 359666421 /nfs/dbraw/zinc/66/64/21/359666421.db2.gz MEFPOCULMRGASW-HDEZJCGLSA-N 2 0 295.471 1.606 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)[C@H]1C ZINC000423376552 359785154 /nfs/dbraw/zinc/78/51/54/359785154.db2.gz AVLFXQHHMICONM-RHYQMDGZSA-N 2 0 279.350 1.457 10 0 CDAERP C[C@@H]1[C@H]([NH3+])CCN1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000417799708 359840251 /nfs/dbraw/zinc/84/02/51/359840251.db2.gz SWMIQICTEATWRP-VHDGCEQUSA-N 2 0 294.443 1.382 10 0 CDAERP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000348103115 359835802 /nfs/dbraw/zinc/83/58/02/359835802.db2.gz MBDXSQZNLJQPRS-MCIONIFRSA-N 2 0 254.418 1.857 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCn2ccnc2C)[C@@H](C)C1 ZINC000336800879 359865376 /nfs/dbraw/zinc/86/53/76/359865376.db2.gz OAENJGSTWIGJHG-DZGCQCFKSA-N 2 0 264.417 1.854 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000336819652 359870976 /nfs/dbraw/zinc/87/09/76/359870976.db2.gz ABIBCKOLIQKBGU-JKSUJKDBSA-N 2 0 281.444 1.125 10 0 CDAERP O=C1NCCC[C@H]1[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000336842840 359909200 /nfs/dbraw/zinc/90/92/00/359909200.db2.gz UIAJMYQDXOAYIJ-MRXNPFEDSA-N 2 0 293.455 1.853 10 0 CDAERP CCC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001660752954 1172269709 /nfs/dbraw/zinc/26/97/09/1172269709.db2.gz KZWKBHNYXSLNSZ-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@]1(C(=O)N2CCC(C[NH+]3CCCC3)CC2)CC[NH2+]C1 ZINC000062896451 360027378 /nfs/dbraw/zinc/02/73/78/360027378.db2.gz ZYNKYGFMNNFNSD-INIZCTEOSA-N 2 0 279.428 1.320 10 0 CDAERP C[NH2+]CC1CC[NH+](CC(=O)Nc2cccc(C)c2)CC1 ZINC000063165806 360072277 /nfs/dbraw/zinc/07/22/77/360072277.db2.gz RTABEUSLYMMTBD-UHFFFAOYSA-N 2 0 275.396 1.865 10 0 CDAERP CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1ccc(C[NH3+])cc1 ZINC000335497161 360267763 /nfs/dbraw/zinc/26/77/63/360267763.db2.gz WYTGFPULSAYAEJ-ZDUSSCGKSA-N 2 0 261.369 1.263 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000335471219 360327964 /nfs/dbraw/zinc/32/79/64/360327964.db2.gz QPKFDGZEZNGSEG-FZMZJTMJSA-N 2 0 261.369 1.310 10 0 CDAERP CCC[C@@H]1CN(C(=O)[C@H]([NH3+])[C@H](C)CC)CC[N@@H+]1CCOC ZINC000262699286 360441469 /nfs/dbraw/zinc/44/14/69/360441469.db2.gz GOYMIRIMTNIXRN-RBSFLKMASA-N 2 0 299.459 1.319 10 0 CDAERP COCc1cnc(C[NH2+]CCCn2ccnc2C)s1 ZINC000337950015 360579253 /nfs/dbraw/zinc/57/92/53/360579253.db2.gz KYEYMOCCPYGGTQ-UHFFFAOYSA-N 2 0 280.397 1.974 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC000113612783 360647470 /nfs/dbraw/zinc/64/74/70/360647470.db2.gz LVDBSUMOFJZNAD-KKUMJFAQSA-N 2 0 296.459 1.595 10 0 CDAERP CC(C)[NH+](CCNC(=O)N[C@H]1CC[NH2+]C12CCC2)C(C)C ZINC000626920056 360635398 /nfs/dbraw/zinc/63/53/98/360635398.db2.gz QRCCYMYJOAWJHB-AWEZNQCLSA-N 2 0 296.459 1.689 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000626943983 360680264 /nfs/dbraw/zinc/68/02/64/360680264.db2.gz MBRZREFEYWWECL-QLFBSQMISA-N 2 0 296.459 1.548 10 0 CDAERP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000626947305 360685831 /nfs/dbraw/zinc/68/58/31/360685831.db2.gz RITUXCXUTFJEEC-YIYPIFLZSA-N 2 0 282.432 1.156 10 0 CDAERP CC(C)COCC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001660842570 1172288772 /nfs/dbraw/zinc/28/87/72/1172288772.db2.gz YMELHEKFOMGQFS-OAHLLOKOSA-N 2 0 299.459 1.191 10 0 CDAERP C[N@@H+]1CC[C@H](CNC(=O)CC[C@H]2CCCC[NH+]2C)C1 ZINC000431749153 361042671 /nfs/dbraw/zinc/04/26/71/361042671.db2.gz JZDHIUJDHAXAOY-ZIAGYGMSSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]CC(O)(C2CC2)C2CC2)CC[N@@H+]1C ZINC000639321503 361091554 /nfs/dbraw/zinc/09/15/54/361091554.db2.gz NSCFUOOTTSSIQG-FZMZJTMJSA-N 2 0 252.402 1.610 10 0 CDAERP C[C@@H](C(=O)OC(C)(C)C)N(C)CCn1ccnc1 ZINC000131596129 361115637 /nfs/dbraw/zinc/11/56/37/361115637.db2.gz HYKXTWSKRYKJAH-NSHDSACASA-N 2 0 253.346 1.545 10 0 CDAERP C[C@H]1C[N@H+](C)C[C@@H]1NCCC[NH+]1CCCO[C@H](C)C1 ZINC000432361731 361155659 /nfs/dbraw/zinc/15/56/59/361155659.db2.gz ZFJINRCNXRBQON-ZNMIVQPWSA-N 2 0 269.433 1.027 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H]1CCC[NH+](C)C1 ZINC000458165512 364138151 /nfs/dbraw/zinc/13/81/51/364138151.db2.gz KZBCQAUKGNZIHT-HUUCEWRRSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000357234933 366848851 /nfs/dbraw/zinc/84/88/51/366848851.db2.gz OVJZOTFOJTUBQM-SOUVJXGZSA-N 2 0 281.444 1.802 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000368436774 364540732 /nfs/dbraw/zinc/54/07/32/364540732.db2.gz BJNYNZHETNCULF-RKFYDKJMSA-N 2 0 265.401 1.021 10 0 CDAERP C[NH+](C)C[C@H]1CCCCN1C(=O)c1ccc(C[NH3+])cc1 ZINC000186460378 364582986 /nfs/dbraw/zinc/58/29/86/364582986.db2.gz YXQSHCPJZFYMSU-OAHLLOKOSA-N 2 0 275.396 1.702 10 0 CDAERP CC[NH+](CC)[C@@H](C)CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105125133 364690003 /nfs/dbraw/zinc/69/00/03/364690003.db2.gz YNMZBHGBHSYJDE-LSDHHAIUSA-N 2 0 296.459 1.596 10 0 CDAERP C[C@@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@H](C)[NH3+] ZINC000416796311 296075824 /nfs/dbraw/zinc/07/58/24/296075824.db2.gz WOHSTELGJUMARI-VHSXEESVSA-N 2 0 270.421 1.331 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN[C@H]1CCC[NH2+]C1 ZINC000566784487 370812621 /nfs/dbraw/zinc/81/26/21/370812621.db2.gz FZKAJUSEMPEVJM-AWEZNQCLSA-N 3 0 271.368 1.417 10 0 CDAERP CC(C)C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH+](C)C ZINC000570408846 294234138 /nfs/dbraw/zinc/23/41/38/294234138.db2.gz KMVYPLVYIORODG-UONOGXRCSA-N 2 0 269.433 1.421 10 0 CDAERP Cn1cnc(CC[NH2+][C@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000414130387 241080362 /nfs/dbraw/zinc/08/03/62/241080362.db2.gz WSWHBOUYVSLVHD-QLFBSQMISA-N 2 0 262.401 1.425 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000626974906 367118294 /nfs/dbraw/zinc/11/82/94/367118294.db2.gz NDNNADHABCWFSW-HZSPNIEDSA-N 2 0 282.432 1.301 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCCCC[NH+]1CCCCC1 ZINC000626982879 367132355 /nfs/dbraw/zinc/13/23/55/367132355.db2.gz VKSHSEAQTZSTBE-LSDHHAIUSA-N 2 0 296.459 1.692 10 0 CDAERP C[C@@H](NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[C@@H]1CCC[NH2+]C1 ZINC000627068223 367338002 /nfs/dbraw/zinc/33/80/02/367338002.db2.gz IDMGSLKSYCHVBI-XOUADPBQSA-N 2 0 294.443 1.016 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627042387 367293067 /nfs/dbraw/zinc/29/30/67/367293067.db2.gz ZTCRRMHRHCSQSX-IHRRRGAJSA-N 2 0 284.448 1.547 10 0 CDAERP Cc1cc(C)c(CNC(=O)N[C@@H]2CC[NH2+][C@H]2C)cn1 ZINC000627056168 367311061 /nfs/dbraw/zinc/31/10/61/367311061.db2.gz RBZGECHDJNOMGA-WCQYABFASA-N 2 0 262.357 1.248 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000417003922 242261544 /nfs/dbraw/zinc/26/15/44/242261544.db2.gz HLZJHKCKKAOJHJ-STQMWFEESA-N 2 0 290.411 1.080 10 0 CDAERP CCCC[C@H](C[NH3+])NC(=O)NC[C@@H](C)[NH+](CC)CC ZINC000417006993 242263364 /nfs/dbraw/zinc/26/33/64/242263364.db2.gz KKPMQVXWEKFVAN-CHWSQXEVSA-N 2 0 272.437 1.533 10 0 CDAERP C[C@H](CNC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000417009693 242266993 /nfs/dbraw/zinc/26/69/93/242266993.db2.gz KOEZYPCWQIIGGF-LXTVHRRPSA-N 2 0 296.459 1.404 10 0 CDAERP c1ncn(-c2ccc(C[NH2+]CC[C@H]3CCC[NH2+]C3)cc2)n1 ZINC000414853202 367661145 /nfs/dbraw/zinc/66/11/45/367661145.db2.gz RGNGUQZDZYKKJB-CQSZACIVSA-N 2 0 285.395 1.747 10 0 CDAERP CC(C)[N@@H+]1CCCN(C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627196383 367683669 /nfs/dbraw/zinc/68/36/69/367683669.db2.gz ITYPLLGMNUGKNX-KGLIPLIRSA-N 2 0 282.432 1.253 10 0 CDAERP CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627199425 367688097 /nfs/dbraw/zinc/68/80/97/367688097.db2.gz XDMPAXDMUKAZNL-TZMCWYRMSA-N 2 0 282.432 1.299 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)C[C@@H]1C ZINC000627199890 367690222 /nfs/dbraw/zinc/69/02/22/367690222.db2.gz FPXZSYIJZPNXPD-XQLPTFJDSA-N 2 0 296.459 1.641 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)C[NH2+]1 ZINC000627207930 367709425 /nfs/dbraw/zinc/70/94/25/367709425.db2.gz UPBSTCBGJCJNDJ-FMKPAKJESA-N 2 0 294.443 1.254 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000627237076 367798667 /nfs/dbraw/zinc/79/86/67/367798667.db2.gz BVRKDNUULDPFGE-BFHYXJOUSA-N 2 0 280.416 1.007 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)CC2(O)CCC2)C[C@@H]1C ZINC000528396770 367824969 /nfs/dbraw/zinc/82/49/69/367824969.db2.gz PTDFXMZXYQYAMS-SOUVJXGZSA-N 2 0 284.444 1.457 10 0 CDAERP CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627243151 367830285 /nfs/dbraw/zinc/83/02/85/367830285.db2.gz CLSDICOIHRLJCH-UONOGXRCSA-N 2 0 282.432 1.254 10 0 CDAERP C[C@@H](CC[NH3+])NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000418134843 242692435 /nfs/dbraw/zinc/69/24/35/242692435.db2.gz QHQAAHSIIKIULQ-HIFPTAJRSA-N 2 0 268.405 1.040 10 0 CDAERP COc1cc(CN[C@H]2CCC[NH2+]C2)cc2c1OCCO2 ZINC000414865682 367954031 /nfs/dbraw/zinc/95/40/31/367954031.db2.gz LPOZTNRQJJFCPL-LBPRGKRZSA-N 2 0 278.352 1.308 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000418389194 243017306 /nfs/dbraw/zinc/01/73/06/243017306.db2.gz WAGQPWASDUHJQW-OAHLLOKOSA-N 2 0 296.459 1.502 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)C1 ZINC000418584682 243241161 /nfs/dbraw/zinc/24/11/61/243241161.db2.gz CJWLXQCHSUWKGZ-MGPQQGTHSA-N 2 0 282.432 1.109 10 0 CDAERP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000418730835 243385141 /nfs/dbraw/zinc/38/51/41/243385141.db2.gz SMJQKEANDPBOKD-ZIAGYGMSSA-N 2 0 284.448 1.630 10 0 CDAERP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCC[C@@H]1C1(O)CC1 ZINC000567234570 370925772 /nfs/dbraw/zinc/92/57/72/370925772.db2.gz XWBWAIQATAFQHP-UONOGXRCSA-N 2 0 252.402 1.850 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N(C)CCC[NH+](C)C ZINC000542743475 368814358 /nfs/dbraw/zinc/81/43/58/368814358.db2.gz ZIRYNLNGRLKHRY-GASCZTMLSA-N 2 0 298.475 1.842 10 0 CDAERP C[C@@H]1CN(C)C[C@H]1[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000361522629 368871324 /nfs/dbraw/zinc/87/13/24/368871324.db2.gz BBRDXGOACNZALF-MCIONIFRSA-N 2 0 255.450 1.893 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000361713625 368997801 /nfs/dbraw/zinc/99/78/01/368997801.db2.gz ZIXPZWIFOIAVQK-BZUAXINKSA-N 2 0 293.455 1.804 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638273211 369063956 /nfs/dbraw/zinc/06/39/56/369063956.db2.gz ZJDYJHKXZDQPLS-CYBMUJFWSA-N 2 0 253.390 1.080 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000362675041 369111051 /nfs/dbraw/zinc/11/10/51/369111051.db2.gz YOSCHIOXWAAGPJ-ILXRZTDVSA-N 2 0 279.428 1.556 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCn2cccn2)[C@H]2CCC[C@H]21 ZINC000367615992 369200224 /nfs/dbraw/zinc/20/02/24/369200224.db2.gz MTDAPXQWBJHLHI-QLFBSQMISA-N 2 0 262.401 1.736 10 0 CDAERP [NH3+]Cc1ccc(-c2cn(C[C@H]3CCC[NH2+]3)nn2)cc1 ZINC000630604845 369372533 /nfs/dbraw/zinc/37/25/33/369372533.db2.gz DJOLSNAAVICCER-CYBMUJFWSA-N 2 0 257.341 1.156 10 0 CDAERP [NH3+]Cc1cc(C(=O)NCC2([NH3+])CCCCCC2)co1 ZINC000368426327 369472319 /nfs/dbraw/zinc/47/23/19/369472319.db2.gz VMQYUEZXHKUKRA-UHFFFAOYSA-N 2 0 265.357 1.520 10 0 CDAERP C[C@H](C(=O)NC1CC1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000368792680 369593715 /nfs/dbraw/zinc/59/37/15/369593715.db2.gz ZYMPZIWOHOPAHJ-CYBMUJFWSA-N 2 0 279.428 1.461 10 0 CDAERP O=C1O[C@@H](C[NH+]2CCC(C[NH+]3CCCC3)CC2)CC12CC2 ZINC000369004576 369663908 /nfs/dbraw/zinc/66/39/08/369663908.db2.gz XNTNMMKATUDBCG-OAHLLOKOSA-N 2 0 292.423 1.890 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000564726188 370247910 /nfs/dbraw/zinc/24/79/10/370247910.db2.gz JXQMBIBQHISOJZ-IUODEOHRSA-N 2 0 287.407 1.712 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000252438929 370205265 /nfs/dbraw/zinc/20/52/65/370205265.db2.gz ILJLVVNSNOCDOF-TUVASFSCSA-N 2 0 279.428 1.365 10 0 CDAERP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1cnccn1 ZINC000389995162 370497638 /nfs/dbraw/zinc/49/76/38/370497638.db2.gz GNFQZROWOBAMKA-KBPBESRZSA-N 2 0 262.401 1.920 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)NCCC[NH2+]C2CC2)cc1 ZINC000418285547 370499118 /nfs/dbraw/zinc/49/91/18/370499118.db2.gz FZDNUYQBDYDJSB-GFCCVEGCSA-N 2 0 290.411 1.648 10 0 CDAERP Cc1cc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)ncn1 ZINC000293153819 370533064 /nfs/dbraw/zinc/53/30/64/370533064.db2.gz MNJMXFBGCLNJQY-GFCCVEGCSA-N 2 0 257.341 1.888 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CCN(c2ccccc2)C1=O ZINC000422698475 245156603 /nfs/dbraw/zinc/15/66/03/245156603.db2.gz ZLNUJZGAFZOQFJ-SCRDCRAPSA-N 2 0 261.369 1.507 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000567505140 371014413 /nfs/dbraw/zinc/01/44/13/371014413.db2.gz NMODTXJSDZDHAV-SCRDCRAPSA-N 2 0 253.390 1.118 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000422746924 245206200 /nfs/dbraw/zinc/20/62/00/245206200.db2.gz XNQPJQQNTAUKCL-JYJNAYRXSA-N 2 0 262.397 1.697 10 0 CDAERP COC(=O)[C@H](C)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062032353 284252167 /nfs/dbraw/zinc/25/21/67/284252167.db2.gz UIZAALSQMADSCN-CYBMUJFWSA-N 2 0 268.401 1.603 10 0 CDAERP CCC[C@@H](C(=O)NC1CCC(C[NH+](C)C)CC1)[NH+](C)C ZINC000164763183 371327845 /nfs/dbraw/zinc/32/78/45/371327845.db2.gz ONXNBLRKBXYPMJ-NRXISQOPSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC3(CCC[NH+]3C)CC2)C1 ZINC000575070848 371728579 /nfs/dbraw/zinc/72/85/79/371728579.db2.gz GVKKXXUNQFHAPD-CQSZACIVSA-N 2 0 279.428 1.415 10 0 CDAERP CN(C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)[C@H]1CCC[N@H+](C)C1 ZINC000377899686 371742054 /nfs/dbraw/zinc/74/20/54/371742054.db2.gz FBEQGXJRCPABFC-XJKSGUPXSA-N 2 0 299.434 1.752 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]Cc2cccnc2-n2ccnc2)[C@@H](C)O1 ZINC000296543590 371810514 /nfs/dbraw/zinc/81/05/14/371810514.db2.gz UBIXWWWPQNZGDY-BZPMIXESSA-N 2 0 272.352 1.923 10 0 CDAERP COC(=O)CCC1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000578013662 372220899 /nfs/dbraw/zinc/22/08/99/372220899.db2.gz XHYZFXMDIZWGNL-HNNXBMFYSA-N 2 0 268.401 1.651 10 0 CDAERP O=C(NC1CC1)[C@H]1CCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000578136875 372309395 /nfs/dbraw/zinc/30/93/95/372309395.db2.gz IAHDLMWZQWLWLY-QGZVFWFLSA-N 2 0 299.418 1.575 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CC1([C@@H](O)C(C)C)CC1 ZINC000423013924 245495654 /nfs/dbraw/zinc/49/56/54/245495654.db2.gz GWRARPOFCNMAAB-STQMWFEESA-N 2 0 258.406 1.127 10 0 CDAERP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)COC(C)(C)C ZINC000175591484 372703633 /nfs/dbraw/zinc/70/36/33/372703633.db2.gz LZKQQHCTUSDEHO-ILXRZTDVSA-N 2 0 284.444 1.721 10 0 CDAERP Cc1ccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)nc1 ZINC000415053330 372790159 /nfs/dbraw/zinc/79/01/59/372790159.db2.gz MMWBHUOJLJKTAT-UHFFFAOYSA-N 2 0 288.439 1.696 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000630899808 373078498 /nfs/dbraw/zinc/07/84/98/373078498.db2.gz QGLLJXYDQPBSNA-SOUVJXGZSA-N 2 0 279.428 1.413 10 0 CDAERP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188715534 373244184 /nfs/dbraw/zinc/24/41/84/373244184.db2.gz BKLQSXVHTXKUNV-SMDDNHRTSA-N 2 0 283.391 1.210 10 0 CDAERP O=C1[C@H]([NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)CCN1C1CCC1 ZINC000631827211 373713496 /nfs/dbraw/zinc/71/34/96/373713496.db2.gz IIWOBPFJPSFUDY-JKSUJKDBSA-N 2 0 291.439 1.604 10 0 CDAERP COCC[C@@H](C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000124627761 374823072 /nfs/dbraw/zinc/82/30/72/374823072.db2.gz JBWWZCFWDULEHE-MRXNPFEDSA-N 2 0 297.487 1.951 10 0 CDAERP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(C(F)F)nc1 ZINC000631068172 374934386 /nfs/dbraw/zinc/93/43/86/374934386.db2.gz YUQHDZGZMMTANM-LBPRGKRZSA-N 2 0 298.381 1.745 10 0 CDAERP CCCn1cc(CN2CC[C@@H](C[NH+](C)C)C2)cn1 ZINC000125506570 374941722 /nfs/dbraw/zinc/94/17/22/374941722.db2.gz XCDBLAWVQHXBIA-ZDUSSCGKSA-N 2 0 250.390 1.677 10 0 CDAERP CC(C)CC[C@@H]([NH3+])C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000638854499 375076896 /nfs/dbraw/zinc/07/68/96/375076896.db2.gz QBTQZCUSUHKMOP-KGLIPLIRSA-N 2 0 267.417 1.303 10 0 CDAERP Cc1cn2c(n1)C[C@@H](C(=O)N(C)C[C@@H]1CCC[N@@H+]1C)CC2 ZINC000627796383 375687799 /nfs/dbraw/zinc/68/77/99/375687799.db2.gz QHMPGNBKIWEMJC-KBPBESRZSA-N 2 0 290.411 1.307 10 0 CDAERP C[C@H](CNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)C[NH+]1CCCC1 ZINC000417138353 375728885 /nfs/dbraw/zinc/72/88/85/375728885.db2.gz NVJYBJSJFXZUHU-KFWWJZLASA-N 2 0 294.443 1.112 10 0 CDAERP C[C@@H](CC[NH+](C)C)NC(=O)NCC1([NH3+])CCCCCC1 ZINC000417316383 375767608 /nfs/dbraw/zinc/76/76/08/375767608.db2.gz FAMQDZDLIBFSNP-ZDUSSCGKSA-N 2 0 284.448 1.678 10 0 CDAERP C[C@@H]1C[C@H](N2C[C@H]([NH3+])C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000306602317 375776635 /nfs/dbraw/zinc/77/66/35/375776635.db2.gz VVODOQIEHXILQS-YUELXQCFSA-N 2 0 273.380 1.209 10 0 CDAERP CC[C@@]1(C(=O)N2CCC(CC)([NH+](C)C)CC2)CCC[NH2+]1 ZINC000638975775 376322200 /nfs/dbraw/zinc/32/22/00/376322200.db2.gz POLXUABFLNXRLQ-INIZCTEOSA-N 2 0 281.444 1.851 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000638976097 376322681 /nfs/dbraw/zinc/32/26/81/376322681.db2.gz UBASFNXIPZJPQY-QWHCGFSZSA-N 2 0 267.417 1.447 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N2CC[NH2+][C@H](C)[C@H]2C)CC1 ZINC000417393092 376341173 /nfs/dbraw/zinc/34/11/73/376341173.db2.gz QBSOEIAQRPBDBQ-ZIAGYGMSSA-N 2 0 296.459 1.500 10 0 CDAERP C[C@H]1CCCN1C(=O)CC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000334617319 376563643 /nfs/dbraw/zinc/56/36/43/376563643.db2.gz XOCDDTKOSNWQIY-HOCLYGCPSA-N 2 0 279.428 1.415 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CC[C@H]1SC ZINC000425357517 376589122 /nfs/dbraw/zinc/58/91/22/376589122.db2.gz QFLLQXBTNXQLAV-FRRDWIJNSA-N 2 0 260.447 1.827 10 0 CDAERP C[C@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1C[NH3+] ZINC000631840960 376694567 /nfs/dbraw/zinc/69/45/67/376694567.db2.gz XFGIYZWTWXSEDC-VHSXEESVSA-N 2 0 254.296 1.482 10 0 CDAERP O=C(NC1CC[NH+](C2CC2)CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171899771 377153922 /nfs/dbraw/zinc/15/39/22/377153922.db2.gz JZINAOLTBIKFAD-OAHLLOKOSA-N 2 0 292.427 1.103 10 0 CDAERP CC[N@H+](CCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC000417469317 377373308 /nfs/dbraw/zinc/37/33/08/377373308.db2.gz ZIKQELYROBRRER-YIONKMFJSA-N 2 0 296.459 1.641 10 0 CDAERP C[C@@H]1CCN(C(=O)NCC2([NH3+])CCCCCC2)C[C@H]1C[NH3+] ZINC000334935605 377703649 /nfs/dbraw/zinc/70/36/49/377703649.db2.gz NMSSDTAHIIWQMI-ZIAGYGMSSA-N 2 0 296.459 1.664 10 0 CDAERP COCC[C@H](COC)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000336796952 377725327 /nfs/dbraw/zinc/72/53/27/377725327.db2.gz XMPPXWXWTSBTPO-MGPQQGTHSA-N 2 0 256.390 1.254 10 0 CDAERP CC(C)CC[NH+]1CCC(CNC(=O)CC[C@@H](C)[NH3+])CC1 ZINC000193322424 378275282 /nfs/dbraw/zinc/27/52/82/378275282.db2.gz OPNYHURVUCAVIG-CQSZACIVSA-N 2 0 283.460 1.988 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)c1csc(CC[NH3+])n1 ZINC000194828631 378478199 /nfs/dbraw/zinc/47/81/99/378478199.db2.gz LZAZLBSOFLUOKL-NSHDSACASA-N 2 0 296.440 1.249 10 0 CDAERP COCCC[NH2+][C@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001662349302 1172533706 /nfs/dbraw/zinc/53/37/06/1172533706.db2.gz BCWVQMJDAFTGKE-CABCVRRESA-N 2 0 299.459 1.382 10 0 CDAERP Cc1cc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)on1 ZINC000069901397 379101868 /nfs/dbraw/zinc/10/18/68/379101868.db2.gz GPROHRFAPZPWFJ-ZDUSSCGKSA-N 2 0 281.400 1.508 10 0 CDAERP CN(C(=O)NC[C@@H]1CCCC[NH2+]1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000634268638 379276420 /nfs/dbraw/zinc/27/64/20/379276420.db2.gz BJEKCFYDDKNQDX-JSGCOSHPSA-N 2 0 280.416 1.007 10 0 CDAERP C[NH2+]Cc1ccccc1NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655908719 412916759 /nfs/dbraw/zinc/91/67/59/412916759.db2.gz ZLLDBSYCKITIKI-XBXGTLAGSA-N 2 0 290.411 1.868 10 0 CDAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCOC3)cc2)C1 ZINC000657595281 412923390 /nfs/dbraw/zinc/92/33/90/412923390.db2.gz NWKYHDNXSWTFFN-JKSUJKDBSA-N 2 0 276.380 1.132 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001662648819 1172574658 /nfs/dbraw/zinc/57/46/58/1172574658.db2.gz AYFKXYRQZQWZFJ-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)[NH2+][C@@H]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001662777923 1172592253 /nfs/dbraw/zinc/59/22/53/1172592253.db2.gz AOIPFEREUXLXLP-OLZOCXBDSA-N 2 0 255.406 1.364 10 0 CDAERP C[N@H+](CCCCNC(=O)N[C@@H](C[NH3+])C(F)(F)F)C1CC1 ZINC000655932187 412948943 /nfs/dbraw/zinc/94/89/43/412948943.db2.gz TVNAQOFTXOZXKE-JTQLQIEISA-N 2 0 296.337 1.050 10 0 CDAERP CC1(C)C[NH2+][C@@H]1C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659366451 412956138 /nfs/dbraw/zinc/95/61/38/412956138.db2.gz KBUUMNGBWBNSRM-ZIAGYGMSSA-N 2 0 289.379 1.284 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000418069582 532970651 /nfs/dbraw/zinc/97/06/51/532970651.db2.gz RZCRVWJACPUDQM-VXGBXAGGSA-N 2 0 270.421 1.143 10 0 CDAERP COCC[N@@H+]1CCC[C@@H]1CN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422702538 285029138 /nfs/dbraw/zinc/02/91/38/285029138.db2.gz KYVCVGQPOPBJIS-KFWWJZLASA-N 2 0 269.433 1.217 10 0 CDAERP COC[C@H](CN1CCC2(CCC[N@@H+]2C)CC1)OC ZINC000660167559 412972767 /nfs/dbraw/zinc/97/27/67/412972767.db2.gz TZWZBEJRWFIRTG-ZDUSSCGKSA-N 2 0 256.390 1.208 10 0 CDAERP C[NH+]1CCN(CCC[NH2+]C2CC(CF)(CF)C2)CC1 ZINC000657823610 413045172 /nfs/dbraw/zinc/04/51/72/413045172.db2.gz IMSXOINBOIQPDK-UHFFFAOYSA-N 2 0 275.387 1.301 10 0 CDAERP C[NH2+][C@H](C)Cc1noc([C@H](C[NH3+])c2ccc(F)cc2)n1 ZINC000647143003 390548304 /nfs/dbraw/zinc/54/83/04/390548304.db2.gz ZSPSYMIHQMGXJK-BXKDBHETSA-N 2 0 278.331 1.450 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)CC2CC[NH2+]CC2)[C@H](C)C1 ZINC000178814077 285384509 /nfs/dbraw/zinc/38/45/09/285384509.db2.gz YKCBMHYFZQVFTB-HIFRSBDPSA-N 2 0 281.444 1.565 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)[NH+](C)C)[C@H](C)C1 ZINC000459032127 285388118 /nfs/dbraw/zinc/38/81/18/285388118.db2.gz AQXARPXLXCGUNJ-RDBSUJKOSA-N 2 0 284.448 1.308 10 0 CDAERP CC(C)([NH3+])CCC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000648157285 390846159 /nfs/dbraw/zinc/84/61/59/390846159.db2.gz SQLGDTWNBGSAKR-UHFFFAOYSA-N 2 0 267.417 1.637 10 0 CDAERP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000156690967 390923420 /nfs/dbraw/zinc/92/34/20/390923420.db2.gz PMYOUMIHAOAIMR-RYUDHWBXSA-N 2 0 253.390 1.057 10 0 CDAERP C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@@H]1CC[NH+](C)C1 ZINC000307932108 391024409 /nfs/dbraw/zinc/02/44/09/391024409.db2.gz FKQQLWGCSRDZKW-ZJUUUORDSA-N 2 0 254.296 1.183 10 0 CDAERP [NH2+]=C(NCc1ccccc1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000307480664 391075185 /nfs/dbraw/zinc/07/51/85/391075185.db2.gz GTKIJWXWUNLWRU-HUUCEWRRSA-N 2 0 272.396 1.927 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000376565397 391240732 /nfs/dbraw/zinc/24/07/32/391240732.db2.gz HZFSBEYVQAMNKO-UHFFFAOYSA-N 2 0 267.417 1.460 10 0 CDAERP CC[C@H]1CN(Cc2nnc(C)n2CC)CC[C@@H]1[NH3+] ZINC000647934373 391377176 /nfs/dbraw/zinc/37/71/76/391377176.db2.gz CFMLQEPXPQPZHS-RYUDHWBXSA-N 2 0 251.378 1.166 10 0 CDAERP C[NH+](CCCO)Cc1ccccc1C[N@H+](C)CCCO ZINC000282017528 391448927 /nfs/dbraw/zinc/44/89/27/391448927.db2.gz YKFVFRDJSSFCFF-UHFFFAOYSA-N 2 0 280.412 1.315 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000417883412 391565988 /nfs/dbraw/zinc/56/59/88/391565988.db2.gz VUSORIYOGPRUPU-UGFHNGPFSA-N 2 0 292.427 1.005 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CCC(C[NH3+])CC1 ZINC000417532460 391643057 /nfs/dbraw/zinc/64/30/57/391643057.db2.gz KWJOTBNDOGJXRS-ZIAGYGMSSA-N 2 0 296.459 1.630 10 0 CDAERP COCC[N@H+](C)CCCC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000340289819 391607370 /nfs/dbraw/zinc/60/73/70/391607370.db2.gz RARKEJBSBRJWHO-INIZCTEOSA-N 2 0 284.444 1.846 10 0 CDAERP c1nnc([C@H]2CCC[N@@H+](C[C@H]3CC[NH2+]C3)C2)n1C1CC1 ZINC000647988499 391644465 /nfs/dbraw/zinc/64/44/65/391644465.db2.gz SHDQIMSHLOWYBX-STQMWFEESA-N 2 0 275.400 1.402 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NCc1cnn(Cc2ccc(F)cc2)c1 ZINC000415014604 391724047 /nfs/dbraw/zinc/72/40/47/391724047.db2.gz LSHVKJXVYDQZKU-RYUDHWBXSA-N 2 0 276.359 1.896 10 0 CDAERP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000415023253 391727601 /nfs/dbraw/zinc/72/76/01/391727601.db2.gz WJTMTROBVNBTEQ-UWVGGRQHSA-N 2 0 250.371 1.759 10 0 CDAERP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2ccc(-n3cncn3)cc2)C1 ZINC000415045522 391736492 /nfs/dbraw/zinc/73/64/92/391736492.db2.gz UEHORMLBRBRBLS-KGLIPLIRSA-N 2 0 271.368 1.484 10 0 CDAERP C[N@@H+]1CC[C@]2(CC[NH+](CCC(=O)N3CCCCC3)C2)C1 ZINC000336125681 391858472 /nfs/dbraw/zinc/85/84/72/391858472.db2.gz PMPYUTVDEVZDLT-INIZCTEOSA-N 2 0 279.428 1.417 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000649298926 391934660 /nfs/dbraw/zinc/93/46/60/391934660.db2.gz LWGITJDNNJMTKD-NWDGAFQWSA-N 2 0 291.386 1.324 10 0 CDAERP CC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)COC1 ZINC000250807298 391967551 /nfs/dbraw/zinc/96/75/51/391967551.db2.gz RTUJVQTVEHGCCA-BFHYXJOUSA-N 2 0 252.402 1.923 10 0 CDAERP Cc1cnn(CCN(C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000336807288 392093589 /nfs/dbraw/zinc/09/35/89/392093589.db2.gz IEGSHXYKTUBPBU-OAHLLOKOSA-N 2 0 264.417 1.998 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000649354166 392091043 /nfs/dbraw/zinc/09/10/43/392091043.db2.gz MBMHDYNFMBZDPN-CQSZACIVSA-N 2 0 295.814 1.892 10 0 CDAERP CC(C)[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000336785472 392057367 /nfs/dbraw/zinc/05/73/67/392057367.db2.gz DRTPNQXEHPCKAV-GJZGRUSLSA-N 2 0 254.418 1.811 10 0 CDAERP O=C([C@H]1C[NH2+]CCC1(F)F)N1CCC(c2c[nH]cn2)CC1 ZINC000649335955 392058861 /nfs/dbraw/zinc/05/88/61/392058861.db2.gz OUIOXJYFHHBWJE-LLVKDONJSA-N 2 0 298.337 1.361 10 0 CDAERP O=C(CN1CC[C@]2(C1)CCC[NH2+]C2)NC(C1CC1)C1CC1 ZINC000520583629 392150810 /nfs/dbraw/zinc/15/08/10/392150810.db2.gz YSYPMOHUYVXVNI-QGZVFWFLSA-N 2 0 291.439 1.367 10 0 CDAERP CC(=O)[C@](C)(O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000649425659 392211847 /nfs/dbraw/zinc/21/18/47/392211847.db2.gz HSMPPKZFXCLYSF-DUVNUKRYSA-N 2 0 282.428 1.569 10 0 CDAERP O=C(NCCC[NH+]1CCCC1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000252431481 392248419 /nfs/dbraw/zinc/24/84/19/392248419.db2.gz KAFDYDFRFXAUNF-KFWWJZLASA-N 2 0 279.428 1.509 10 0 CDAERP Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423019826 392278269 /nfs/dbraw/zinc/27/82/69/392278269.db2.gz XIOSWOYAIKEFBA-BLLLJJGKSA-N 2 0 278.444 1.947 10 0 CDAERP CC[NH+](CC)[C@H](C)CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423082928 392329623 /nfs/dbraw/zinc/32/96/23/392329623.db2.gz FGQADKJULXIOIN-LVQVYYBASA-N 2 0 283.460 1.463 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000529356598 392357446 /nfs/dbraw/zinc/35/74/46/392357446.db2.gz FUYVVXHGJKZDOM-KBPBESRZSA-N 2 0 294.443 1.397 10 0 CDAERP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000423141250 392379938 /nfs/dbraw/zinc/37/99/38/392379938.db2.gz OWKRVHIPCAAFNP-MNOVXSKESA-N 2 0 250.390 1.514 10 0 CDAERP CCO[C@H](C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)C1CC1 ZINC000629532858 392391760 /nfs/dbraw/zinc/39/17/60/392391760.db2.gz WRJZLVWTONSTLJ-QLFBSQMISA-N 2 0 252.402 1.733 10 0 CDAERP [NH3+]CCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423181674 392421165 /nfs/dbraw/zinc/42/11/65/392421165.db2.gz GJFOBBKERWBNFA-HIFRSBDPSA-N 3 0 261.369 1.181 10 0 CDAERP C[C@]1(CNC2=[NH+]CCCN2)CCC[N@@H+]1Cc1ccccc1 ZINC000153557687 392402812 /nfs/dbraw/zinc/40/28/12/392402812.db2.gz ZZKMROKYUREIDR-QGZVFWFLSA-N 2 0 286.423 1.980 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662479040 413053271 /nfs/dbraw/zinc/05/32/71/413053271.db2.gz BORBDNULQCIJTA-DOMZBBRYSA-N 2 0 275.396 1.677 10 0 CDAERP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000423294319 392492658 /nfs/dbraw/zinc/49/26/58/392492658.db2.gz UAGKHNUADBEQDC-TUKIKUTGSA-N 2 0 291.395 1.090 10 0 CDAERP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@@H](C)COC)C1 ZINC000527115904 392722072 /nfs/dbraw/zinc/72/20/72/392722072.db2.gz CERUEFAIKUCFPW-CABCVRRESA-N 2 0 272.433 1.702 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N[C@H](C)C[C@H](C)[NH3+])CC1 ZINC000517029004 392818338 /nfs/dbraw/zinc/81/83/38/392818338.db2.gz UUDLBIDNZCATKI-QWHCGFSZSA-N 2 0 284.448 1.533 10 0 CDAERP COC(=O)C(C)(C)CC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000517372015 392880090 /nfs/dbraw/zinc/88/00/90/392880090.db2.gz PYVOHAIXBLGSDS-HNNXBMFYSA-N 2 0 268.401 1.651 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631170871 392930874 /nfs/dbraw/zinc/93/08/74/392930874.db2.gz RKPGXUBDYQJHRM-ZDUSSCGKSA-N 2 0 280.416 1.149 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2C[C@@H](C)[C@H]2C)CC1 ZINC000494923093 393131129 /nfs/dbraw/zinc/13/11/29/393131129.db2.gz MMWRBGCCNRYVSL-KBUPBQIOSA-N 2 0 253.434 1.647 10 0 CDAERP [NH3+][C@H]1CCCCCC[C@H]1C(=O)NCC[NH+]1CCCC1 ZINC000649280466 393312936 /nfs/dbraw/zinc/31/29/36/393312936.db2.gz XXEHSHXZZVCAFI-KGLIPLIRSA-N 2 0 267.417 1.496 10 0 CDAERP C[NH+](C)CCOCC[NH2+]Cc1cnn2ccccc12 ZINC000230004920 140205830 /nfs/dbraw/zinc/20/58/30/140205830.db2.gz QARIANBPXOSORI-UHFFFAOYSA-N 2 0 262.357 1.002 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000230715067 140213661 /nfs/dbraw/zinc/21/36/61/140213661.db2.gz DRTKYCNUIWPETR-QWHCGFSZSA-N 2 0 255.406 1.175 10 0 CDAERP CCOCC[N@@H+]1CCN(CC[C@H]2CCC[NH+]2C)C[C@@H]1C ZINC000245617330 140272165 /nfs/dbraw/zinc/27/21/65/140272165.db2.gz MXASAKXEDCHPKU-JKSUJKDBSA-N 2 0 283.460 1.513 10 0 CDAERP NCc1nc(CN2CCC[C@@H]2C2CCCC2)no1 ZINC000261552025 140345934 /nfs/dbraw/zinc/34/59/34/140345934.db2.gz ZNDQXGXHRINVCT-LLVKDONJSA-N 2 0 250.346 1.683 10 0 CDAERP Cc1cnn(CC[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000261581185 140354885 /nfs/dbraw/zinc/35/48/85/140354885.db2.gz FWZKEHZLPXHASK-HNNXBMFYSA-N 2 0 262.401 1.656 10 0 CDAERP C[C@@]1(C[N@@H+]2CCC[C@H](C3OCCO3)C2)CC[NH2+]C1 ZINC000261705844 140377802 /nfs/dbraw/zinc/37/78/02/140377802.db2.gz DCHNSJKMSXSMBU-GXTWGEPZSA-N 2 0 254.374 1.071 10 0 CDAERP C(NC1=[NH+]CCCN1)C1([NH+]2CCSCC2)CCCC1 ZINC000261759823 140385557 /nfs/dbraw/zinc/38/55/57/140385557.db2.gz LFXFBBUNIZOAGX-UHFFFAOYSA-N 2 0 282.457 1.287 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261762513 140386286 /nfs/dbraw/zinc/38/62/86/140386286.db2.gz FIRLZCFCXICPTE-DZGCQCFKSA-N 2 0 297.443 1.121 10 0 CDAERP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2COC3(CCC3)C2)CC1 ZINC000657924830 413091892 /nfs/dbraw/zinc/09/18/92/413091892.db2.gz HZBGCKXZOVHKIC-HRCADAONSA-N 2 0 294.439 1.665 10 0 CDAERP C[C@H](NC(=O)NCC[N@@H+]1CCC[C@H](C)C1)c1nccn1C ZINC000660395084 413099409 /nfs/dbraw/zinc/09/94/09/413099409.db2.gz GRUHBIQNAZKQQA-STQMWFEESA-N 2 0 293.415 1.512 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])N1C[C@@H](C)O[C@@H](C)C1 ZINC000656201724 413102818 /nfs/dbraw/zinc/10/28/18/413102818.db2.gz XYWYJXUTJXXNHA-UXXRCYHCSA-N 2 0 269.433 1.201 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662593105 413162568 /nfs/dbraw/zinc/16/25/68/413162568.db2.gz LKGJWWMLLPWYGZ-OLZOCXBDSA-N 2 0 269.433 1.596 10 0 CDAERP COC1(C[C@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)CCC1 ZINC000429520779 292125113 /nfs/dbraw/zinc/12/51/13/292125113.db2.gz YDBZZPAFQPTVHV-HNNXBMFYSA-N 2 0 297.487 1.950 10 0 CDAERP c1c[nH]c([C@H]2CCC[N@@H+](Cc3cc4n(n3)CCC4)C2)n1 ZINC000649560977 397829322 /nfs/dbraw/zinc/82/93/22/397829322.db2.gz GKAAXLIMFJKUFI-LBPRGKRZSA-N 2 0 271.368 1.932 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@]2(C1)CCCOC2 ZINC000660497693 413175286 /nfs/dbraw/zinc/17/52/86/413175286.db2.gz ZXYPIOUDSUMIQH-GJZGRUSLSA-N 2 0 270.417 1.190 10 0 CDAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CCCO2)[C@@H](C)C1 ZINC000658098333 413196925 /nfs/dbraw/zinc/19/69/25/413196925.db2.gz KEOJBYYGMAALLS-HRCADAONSA-N 2 0 284.444 1.892 10 0 CDAERP CCCC[NH2+]CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001663981584 1172797193 /nfs/dbraw/zinc/79/71/93/1172797193.db2.gz LSUKWZDNUBBEHI-UHFFFAOYSA-N 2 0 255.406 1.319 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000097093518 147120363 /nfs/dbraw/zinc/12/03/63/147120363.db2.gz VAUJYCBAFKRVAT-OLZOCXBDSA-N 2 0 267.417 1.495 10 0 CDAERP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCn1ccnn1 ZINC000126648719 147519175 /nfs/dbraw/zinc/51/91/75/147519175.db2.gz BGHUTTAQKNYZRS-UONOGXRCSA-N 2 0 265.405 1.569 10 0 CDAERP c1cn(CCC[N@@H+]2CCCC[C@H]2CN2CCOCC2)cn1 ZINC000183182587 148288697 /nfs/dbraw/zinc/28/86/97/148288697.db2.gz BFPLXHCGWKNFPI-INIZCTEOSA-N 2 0 292.427 1.460 10 0 CDAERP [NH3+]C[C@H]1CCN(Cc2ccnn2-c2ccccc2)C1 ZINC000262024967 149004396 /nfs/dbraw/zinc/00/43/96/149004396.db2.gz WMXHZRUXSWLDNM-CYBMUJFWSA-N 2 0 256.353 1.653 10 0 CDAERP Cc1ccn2c(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)cnc2c1 ZINC000262066525 149009028 /nfs/dbraw/zinc/00/90/28/149009028.db2.gz BDQUIEQWNDMLBE-OAHLLOKOSA-N 2 0 299.422 1.122 10 0 CDAERP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc2ccccc2s1 ZINC000262129482 149023595 /nfs/dbraw/zinc/02/35/95/149023595.db2.gz NSUARTXUDWMTBC-YPMHNXCESA-N 2 0 262.378 1.571 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC[N@@H+]1C ZINC000262403832 149059654 /nfs/dbraw/zinc/05/96/54/149059654.db2.gz OMQDTIUQEKXRCO-CRWXNKLISA-N 2 0 267.417 1.316 10 0 CDAERP CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000262598512 149080733 /nfs/dbraw/zinc/08/07/33/149080733.db2.gz LWLFFWZSGNKCMA-CYZMBNFOSA-N 2 0 255.406 1.384 10 0 CDAERP C[NH+]1CCC(CCNC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000334892223 150044098 /nfs/dbraw/zinc/04/40/98/150044098.db2.gz LQNDFMXGYGUYLC-GASCZTMLSA-N 2 0 294.443 1.254 10 0 CDAERP CC(C)[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001664309408 1172838483 /nfs/dbraw/zinc/83/84/83/1172838483.db2.gz OZVKKTDJMUZNMH-KGLIPLIRSA-N 2 0 269.433 1.563 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)N1CC[NH+]2CCC1CC2 ZINC000335053168 150233680 /nfs/dbraw/zinc/23/36/80/150233680.db2.gz POXKEVDLOXQFQC-ZDUSSCGKSA-N 2 0 265.401 1.071 10 0 CDAERP CC1CC[NH+](CC(=O)N2CC[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000335054767 150236278 /nfs/dbraw/zinc/23/62/78/150236278.db2.gz ZAPQZYSVBNYPAT-ZDUSSCGKSA-N 2 0 267.417 1.304 10 0 CDAERP C[C@H]1CC[NH2+][C@@H](C(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000335136784 150327119 /nfs/dbraw/zinc/32/71/19/150327119.db2.gz YECNKLPGUBYUAM-QWHCGFSZSA-N 2 0 267.417 1.542 10 0 CDAERP CCC[C@](C)([NH3+])C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000335147508 150337891 /nfs/dbraw/zinc/33/78/91/150337891.db2.gz CIQUISVUKPHWKE-UONOGXRCSA-N 2 0 253.390 1.106 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423401387 297107932 /nfs/dbraw/zinc/10/79/32/297107932.db2.gz QVYRCVSOHYLFSX-RBGFHDKUSA-N 2 0 265.445 1.885 10 0 CDAERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@@H](O)C(C)(C)C)C1 ZINC000343753559 152291045 /nfs/dbraw/zinc/29/10/45/152291045.db2.gz IBYSPSQZMQGTAY-HUUCEWRRSA-N 2 0 286.460 1.826 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000660587378 413270278 /nfs/dbraw/zinc/27/02/78/413270278.db2.gz QQKXJLFULGKSHQ-KBPBESRZSA-N 2 0 298.475 1.889 10 0 CDAERP [NH3+]Cc1ccc(-n2cc([C@@H]3CCC[NH2+]C3)nn2)cc1 ZINC000656459770 413289733 /nfs/dbraw/zinc/28/97/33/413289733.db2.gz MTSFFJQFMUFMPX-GFCCVEGCSA-N 2 0 257.341 1.193 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC[N@@H+]1C ZINC000654458352 413309973 /nfs/dbraw/zinc/30/99/73/413309973.db2.gz GIUFJERQDHMFRQ-SYQHCUMBSA-N 2 0 282.432 1.109 10 0 CDAERP COC[C@H](C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2)OC ZINC000660638166 413319892 /nfs/dbraw/zinc/31/98/92/413319892.db2.gz AHFNWTRQPILMFL-UONOGXRCSA-N 2 0 256.390 1.066 10 0 CDAERP COC[C@@H](C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)OC ZINC000660638165 413320802 /nfs/dbraw/zinc/32/08/02/413320802.db2.gz AHFNWTRQPILMFL-KGLIPLIRSA-N 2 0 256.390 1.066 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)CC[C@H]2CCCC[NH+]2C)CC[N@@H+]1C ZINC000354067189 156252385 /nfs/dbraw/zinc/25/23/85/156252385.db2.gz ZJUSKNRCXPXUSR-RBSFLKMASA-N 2 0 281.444 1.850 10 0 CDAERP C[C@@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)C[NH+](C)C ZINC000355741444 157212206 /nfs/dbraw/zinc/21/22/06/157212206.db2.gz MFLLWBJTBCTNBO-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP CCN(C(=O)N[C@@H]1C[NH+](C2CC2)C[C@@H]1C)[C@H]1CC[N@H+](C)C1 ZINC000664406992 413353754 /nfs/dbraw/zinc/35/37/54/413353754.db2.gz VTBNVTIBLRXAMT-AEGPPILISA-N 2 0 294.443 1.205 10 0 CDAERP CC1CCN(C(=[NH2+])NCCN(C)CCC[NH+](C)C)CC1 ZINC000656508628 413364144 /nfs/dbraw/zinc/36/41/44/413364144.db2.gz RWJNVDCHUMJOHW-UHFFFAOYSA-N 2 0 283.464 1.126 10 0 CDAERP CSC1(C[NH2+][C@@H]2CN(C)C[C@H]2C)CC[NH+](C)CC1 ZINC000353228065 286658316 /nfs/dbraw/zinc/65/83/16/286658316.db2.gz PWYWNCIIQLTSTA-CHWSQXEVSA-N 2 0 271.474 1.354 10 0 CDAERP CCC[N@H+](C)CC(=O)NCCC1CC[NH+](CC)CC1 ZINC000359491026 158263423 /nfs/dbraw/zinc/26/34/23/158263423.db2.gz CKUYLSYMCFSTFN-UHFFFAOYSA-N 2 0 269.433 1.566 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000662730597 413395342 /nfs/dbraw/zinc/39/53/42/413395342.db2.gz KPTPKIGKAQXUEF-ZIAGYGMSSA-N 2 0 269.433 1.774 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000362902704 159265424 /nfs/dbraw/zinc/26/54/24/159265424.db2.gz ZEJBZEFDJCJFJO-IUODEOHRSA-N 2 0 279.428 1.317 10 0 CDAERP C[C@H]1C[C@@H](N(C)C(=O)C2([NH2+]C3CC3)CCC2)CC[N@@H+]1C ZINC000662746645 413423421 /nfs/dbraw/zinc/42/34/21/413423421.db2.gz VLLJTEMAPFVLFZ-JSGCOSHPSA-N 2 0 279.428 1.602 10 0 CDAERP C[C@@H]([NH3+])C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000237464488 286906557 /nfs/dbraw/zinc/90/65/57/286906557.db2.gz MNZFENRNGBWCRO-NEPJUHHUSA-N 2 0 265.357 1.270 10 0 CDAERP Cc1cc(C[NH2+]CCCN2CC[NH+](C)CC2)cc(C)c1O ZINC000020307105 171142927 /nfs/dbraw/zinc/14/29/27/171142927.db2.gz RSWUVECZZSRUHB-UHFFFAOYSA-N 2 0 291.439 1.736 10 0 CDAERP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)C(=O)NCCOC ZINC000020315921 171145996 /nfs/dbraw/zinc/14/59/96/171145996.db2.gz TXIPFKFNSXRZIP-KBPBESRZSA-N 2 0 287.448 1.238 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)C[C@H]1CC[NH2+]C1 ZINC000653176024 412116575 /nfs/dbraw/zinc/11/65/75/412116575.db2.gz IBOQSSQQSZXHOU-CYBMUJFWSA-N 2 0 255.406 1.080 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)NCc1ccc(C[NH3+])cc1F ZINC000653223377 412149375 /nfs/dbraw/zinc/14/93/75/412149375.db2.gz LMWFTISPRAQPSY-SECBINFHSA-N 2 0 253.321 1.028 10 0 CDAERP C[C@H](CNC(=O)N(C)CC1C[NH+](C)C1)C[NH+]1CCCCC1 ZINC000660832657 413530499 /nfs/dbraw/zinc/53/04/99/413530499.db2.gz GAEKMOSOHJFZSC-CQSZACIVSA-N 2 0 296.459 1.311 10 0 CDAERP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654659391 413552528 /nfs/dbraw/zinc/55/25/28/413552528.db2.gz CNQNKWRDSJISFW-QLFBSQMISA-N 2 0 296.459 1.308 10 0 CDAERP C[N@@H+]1CCC[C@H]2C[NH+](CC3(O)CCSCC3)CC[C@@H]21 ZINC000656697307 413577094 /nfs/dbraw/zinc/57/70/94/413577094.db2.gz ARCBCXFRWAZVBZ-KBPBESRZSA-N 2 0 284.469 1.661 10 0 CDAERP C[N@@H+]1CCC[C@@H]2C[NH+](CC3(O)CCSCC3)CC[C@@H]21 ZINC000656697308 413578519 /nfs/dbraw/zinc/57/85/19/413578519.db2.gz ARCBCXFRWAZVBZ-KGLIPLIRSA-N 2 0 284.469 1.661 10 0 CDAERP C[C@H]1CC(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C[C@H](C)C1 ZINC000656705964 413578719 /nfs/dbraw/zinc/57/87/19/413578719.db2.gz MGQBTCQATABYQH-INMHGKMJSA-N 2 0 297.487 1.257 10 0 CDAERP CN1c2ccccc2C[C@@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1=O ZINC000656786870 413664981 /nfs/dbraw/zinc/66/49/81/413664981.db2.gz CJHRCPPHYFAMJZ-HZSPNIEDSA-N 2 0 273.380 1.434 10 0 CDAERP COC[C@H](C)C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656786135 413666877 /nfs/dbraw/zinc/66/68/77/413666877.db2.gz LDIUYXIRXJIEJK-HIFRSBDPSA-N 2 0 254.418 1.981 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000664718283 413611582 /nfs/dbraw/zinc/61/15/82/413611582.db2.gz BQFXYBNRMXNXFS-CYBMUJFWSA-N 2 0 281.444 1.613 10 0 CDAERP CC[N@H+](C)C[C@@H](O)CN1Cc2c[nH]nc2CC(C)(C)C1 ZINC000664864311 413700560 /nfs/dbraw/zinc/70/05/60/413700560.db2.gz LIYBYVCOQSRZFQ-CYBMUJFWSA-N 2 0 280.416 1.107 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)C2([NH3+])CC3(CCC3)C2)CC1 ZINC000659319363 413712124 /nfs/dbraw/zinc/71/21/24/413712124.db2.gz RBJZIISQGJZRDD-UHFFFAOYSA-N 2 0 293.455 1.885 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659348819 413738974 /nfs/dbraw/zinc/73/89/74/413738974.db2.gz QBEGWOQVLIHAHE-QHSBEEBCSA-N 2 0 275.396 1.232 10 0 CDAERP CC(C)[NH2+]CC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659364247 413749560 /nfs/dbraw/zinc/74/95/60/413749560.db2.gz KNUCOYTXUOLGJC-CQSZACIVSA-N 2 0 277.368 1.284 10 0 CDAERP [NH3+][C@@H]1CN(C(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC[C@H]1F ZINC000659388811 413773985 /nfs/dbraw/zinc/77/39/85/413773985.db2.gz MXXPEAROBWVDJB-UMSGYPCISA-N 2 0 271.380 1.182 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c(c2)C[NH2+]C3)C1 ZINC000131123123 413833535 /nfs/dbraw/zinc/83/35/35/413833535.db2.gz PJRFCRIEKJCFJJ-CQSZACIVSA-N 2 0 259.353 1.114 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407410278 413953160 /nfs/dbraw/zinc/95/31/60/413953160.db2.gz VRMXZRKFLUSGCF-BMFZPTHFSA-N 2 0 293.455 1.898 10 0 CDAERP C[C@H](N[C@@H]1CC[N@@H+](C(C)(C)C)C1)[C@@H]1CCC[NH2+]C1 ZINC000665236790 413968760 /nfs/dbraw/zinc/96/87/60/413968760.db2.gz UKLDIFIORDISGN-BFHYXJOUSA-N 2 0 253.434 1.837 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1c(C2CC2)cnn1C ZINC000665264700 413993414 /nfs/dbraw/zinc/99/34/14/413993414.db2.gz GLCSEOCAHJPQBN-GFCCVEGCSA-N 2 0 266.389 1.141 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@H]1COc2cc(F)ccc2C1 ZINC000665267518 413999953 /nfs/dbraw/zinc/99/99/53/413999953.db2.gz YGIAZJXWMFXISD-ZIAGYGMSSA-N 2 0 282.359 1.473 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)[C@@H]2CCCO2)CC1 ZINC000665287193 414024553 /nfs/dbraw/zinc/02/45/53/414024553.db2.gz DUXZLTKNIZWSIC-ZFWWWQNUSA-N 2 0 297.443 1.134 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000665299698 414045253 /nfs/dbraw/zinc/04/52/53/414045253.db2.gz RJHIGPRVNAGSPE-INIZCTEOSA-N 3 0 283.460 1.452 10 0 CDAERP CN(CC[N@H+](C)C1CC1)C(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000665361409 414108585 /nfs/dbraw/zinc/10/85/85/414108585.db2.gz OWQIWIGBSSEFDD-AWEZNQCLSA-N 2 0 296.459 1.595 10 0 CDAERP C[C@@H](CCn1cccn1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655804816 414197689 /nfs/dbraw/zinc/19/76/89/414197689.db2.gz CKAPABLQGDUGCN-MELADBBJSA-N 2 0 250.390 1.592 10 0 CDAERP CC[C@@H](O)CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657398175 414287361 /nfs/dbraw/zinc/28/73/61/414287361.db2.gz JBIGSCKBCOGQKQ-CQSZACIVSA-N 2 0 260.341 1.518 10 0 CDAERP C[NH2+]CCC1CCN(Cc2nc3c(s2)C[NH2+]CC3)CC1 ZINC000663493647 414288539 /nfs/dbraw/zinc/28/85/39/414288539.db2.gz CJAYVHMEVVVMCV-UHFFFAOYSA-N 2 0 294.468 1.610 10 0 CDAERP C[C@H](NCc1nc2c(s1)C[NH2+]CC2)[C@H]1CCC[NH2+]C1 ZINC000663493279 414288685 /nfs/dbraw/zinc/28/86/85/414288685.db2.gz HDIQADBUMPKFEG-QWRGUYRKSA-N 2 0 280.441 1.267 10 0 CDAERP C[C@@H]([NH3+])[C@@H]1CCCN(Cc2nc3c(s2)C[NH2+]CC3)C1 ZINC000663494983 414292816 /nfs/dbraw/zinc/29/28/16/414292816.db2.gz MLCNVYLOSMAHRT-GHMZBOCLSA-N 2 0 280.441 1.348 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1NCc1nc2c(s1)C[NH2+]CC2 ZINC000663499453 414298047 /nfs/dbraw/zinc/29/80/47/414298047.db2.gz VZNRVWAGPJZPRL-NXEZZACHSA-N 2 0 266.414 1.148 10 0 CDAERP CC(C)NC(=O)[C@H]1CCC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000663504243 414306832 /nfs/dbraw/zinc/30/68/32/414306832.db2.gz WRMCLALSBDEPDJ-ZFWWWQNUSA-N 2 0 267.417 1.223 10 0 CDAERP CCC[C@@H](C)[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000663505095 414306872 /nfs/dbraw/zinc/30/68/72/414306872.db2.gz DBSSXAHDUKZZJQ-CYBMUJFWSA-N 2 0 269.433 1.755 10 0 CDAERP CC[NH+](CC)CCO[C@H]1CCN(Cc2coc(C)n2)C1 ZINC000659980641 414318820 /nfs/dbraw/zinc/31/88/20/414318820.db2.gz XQXLXCCFFHRRCD-HNNXBMFYSA-N 2 0 281.400 1.916 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)CN(C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000659984962 414327255 /nfs/dbraw/zinc/32/72/55/414327255.db2.gz ZJOQZNHRVKPDQY-ILXRZTDVSA-N 2 0 271.449 1.102 10 0 CDAERP Cn1cnc(CCC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)n1 ZINC000657497941 414398628 /nfs/dbraw/zinc/39/86/28/414398628.db2.gz HPHLSGCSEARVBV-UHFFFAOYSA-N 2 0 297.366 1.118 10 0 CDAERP O[C@H]1CC[N@@H+](C2CC[NH+](CCCC3CCOCC3)CC2)C1 ZINC000662151445 414536892 /nfs/dbraw/zinc/53/68/92/414536892.db2.gz HOMDDZMVVMUBAZ-KRWDZBQOSA-N 2 0 296.455 1.724 10 0 CDAERP O[C@H]1CC[N@@H+](C2CC[NH+](CCC[C@@H]3CCOC3)CC2)C1 ZINC000662149357 414538669 /nfs/dbraw/zinc/53/86/69/414538669.db2.gz NMHGNJBQKRCUPJ-ZBFHGGJFSA-N 2 0 282.428 1.334 10 0 CDAERP C[N@H+](CCCOc1ccccc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662252841 414587564 /nfs/dbraw/zinc/58/75/64/414587564.db2.gz QIIWMIHNUMGQFV-INIZCTEOSA-N 2 0 290.407 1.908 10 0 CDAERP [NH3+]CCN(CCc1ccccc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662274644 414606890 /nfs/dbraw/zinc/60/68/90/414606890.db2.gz YPZMSFNGNJNZDV-MRXNPFEDSA-N 2 0 289.423 1.011 10 0 CDAERP CCC[C@H](c1ccccc1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038030971 174023161 /nfs/dbraw/zinc/02/31/61/174023161.db2.gz URLFPPOASWTXKU-MRXNPFEDSA-N 2 0 289.423 1.891 10 0 CDAERP CC(C)(C)[C@@H](Cn1ccnc1)[NH2+]C1CC[NH2+]CC1 ZINC000038041414 174042142 /nfs/dbraw/zinc/04/21/42/174042142.db2.gz NRUKKBWDACFPGM-CYBMUJFWSA-N 2 0 250.390 1.639 10 0 CDAERP O=C(C[NH2+]CC1CC1)N1CCC([NH+]2CCCC2)CC1 ZINC000038101763 174117827 /nfs/dbraw/zinc/11/78/27/174117827.db2.gz DOZGBRHUSZWKKY-UHFFFAOYSA-N 2 0 265.401 1.073 10 0 CDAERP CC(C)[N@H+]1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@@H]1CCCCNC1=O ZINC000040769226 174399598 /nfs/dbraw/zinc/39/95/98/174399598.db2.gz WZIOVZWBQWABQQ-IUOOZAAYSA-N 2 0 293.455 1.754 10 0 CDAERP CC[NH2+][C@H](CC)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001665803615 1173063596 /nfs/dbraw/zinc/06/35/96/1173063596.db2.gz AIDAVMOFDGAWFX-OLZOCXBDSA-N 2 0 255.406 1.365 10 0 CDAERP C[C@H]([NH3+])[C@@H](c1ccco1)N(C)C1CC[NH+](C)CC1 ZINC000043334448 175010783 /nfs/dbraw/zinc/01/07/83/175010783.db2.gz ZZTXJBFZUVDHKD-FZMZJTMJSA-N 2 0 251.374 1.694 10 0 CDAERP CCC[NH+]1CCN([C@H](c2cccnc2)[C@H]([NH3+])CC)CC1 ZINC000043345648 175016678 /nfs/dbraw/zinc/01/66/78/175016678.db2.gz GTBQUAFORVSNSB-HZPDHXFCSA-N 2 0 276.428 1.888 10 0 CDAERP CC[C@@H]([NH3+])[C@H](c1ccncc1)N1CC[NH+](CC2CC2)CC1 ZINC000043354238 175021225 /nfs/dbraw/zinc/02/12/25/175021225.db2.gz JKNPADMZJFHNEW-SJORKVTESA-N 2 0 288.439 1.888 10 0 CDAERP CC(C)(C)[NH+]1CCN([C@H](C[NH3+])c2ccncc2)CC1 ZINC000043354126 175021496 /nfs/dbraw/zinc/02/14/96/175021496.db2.gz HRHUXJZRDJBSMR-CQSZACIVSA-N 2 0 262.401 1.498 10 0 CDAERP CC[C@H](C(N)=[NH2+])N1CCC([NH+]2CCCCC2)CC1 ZINC000043541152 175063962 /nfs/dbraw/zinc/06/39/62/175063962.db2.gz LFRKBRQXIAKIAQ-CYBMUJFWSA-N 2 0 252.406 1.651 10 0 CDAERP CC[NH2+][C@@H]1CCCCC[C@H]1N1CCC[N@H+](C)CC1 ZINC000043818328 175113120 /nfs/dbraw/zinc/11/31/20/175113120.db2.gz GCBNQTPJHYZWMH-HUUCEWRRSA-N 2 0 253.434 1.935 10 0 CDAERP C[NH2+][C@H](CN1CCC([NH+](C)C)CC1)c1ccc(OC)cc1 ZINC000043897290 175119750 /nfs/dbraw/zinc/11/97/50/175119750.db2.gz SEVGJXCLOVEVNL-QGZVFWFLSA-N 2 0 291.439 1.982 10 0 CDAERP CCC[NH+]1CCN([C@H](c2ccncc2)[C@H](C)[NH3+])CC1 ZINC000044419059 175173715 /nfs/dbraw/zinc/17/37/15/175173715.db2.gz OVGMBZUZHFPUPZ-ZFWWWQNUSA-N 2 0 262.401 1.498 10 0 CDAERP C[NH+]1CCC(C[NH2+][C@H]2COc3cc(O)ccc32)CC1 ZINC000044515750 175190023 /nfs/dbraw/zinc/19/00/23/175190023.db2.gz OVLBMNKEOHXGOG-AWEZNQCLSA-N 2 0 262.353 1.757 10 0 CDAERP Cc1nc(C)c([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)c(=O)[nH]1 ZINC000044533041 175196210 /nfs/dbraw/zinc/19/62/10/175196210.db2.gz YNCIYDFJJYCTAU-ZWNOBZJWSA-N 2 0 278.400 1.379 10 0 CDAERP C[NH+](C)CC(C)(C)CNC(=O)C1(C[NH3+])CCCCCC1 ZINC000044762104 175246502 /nfs/dbraw/zinc/24/65/02/175246502.db2.gz SNHRNUMJYGWFOI-UHFFFAOYSA-N 2 0 283.460 1.990 10 0 CDAERP CCCC[N@H+](C)CCCC[C@](C)([NH2+]C1CC1)C(N)=O ZINC000045368293 175363383 /nfs/dbraw/zinc/36/33/83/175363383.db2.gz SYELQDIDDVXODX-HNNXBMFYSA-N 2 0 269.433 1.885 10 0 CDAERP C[NH2+][C@@](C)(CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)C(N)=O ZINC000045373335 175364810 /nfs/dbraw/zinc/36/48/10/175364810.db2.gz SUKTVMDOECXUQZ-GUTXKFCHSA-N 2 0 269.433 1.598 10 0 CDAERP CCC[NH+]1CCN(CCCC[C@](C)([NH3+])C(=O)OC)CC1 ZINC000045373884 175365368 /nfs/dbraw/zinc/36/53/68/175365368.db2.gz LOSYSBFNWCDFKH-HNNXBMFYSA-N 2 0 285.432 1.075 10 0 CDAERP CCC[NH+](CCC)CCCC[C@](C)([NH2+]C)C(N)=O ZINC000045378522 175367755 /nfs/dbraw/zinc/36/77/55/175367755.db2.gz VMUAYICBWYKBBN-AWEZNQCLSA-N 2 0 257.422 1.742 10 0 CDAERP CCC[NH2+][C@@](C)(CCCC[NH+]1CCCCC1)C(N)=O ZINC000045378268 175367858 /nfs/dbraw/zinc/36/78/58/175367858.db2.gz QPAMSIRUJVJQIH-HNNXBMFYSA-N 2 0 269.433 1.886 10 0 CDAERP CC[NH2+][C@](C)(CCCC[N@H+](C)C1CCN(C)CC1)C(N)=O ZINC000045379301 175368663 /nfs/dbraw/zinc/36/86/63/175368663.db2.gz PTAXQBTWAIINJF-MRXNPFEDSA-N 2 0 298.475 1.036 10 0 CDAERP CCC[NH2+][C@](C)(CCC[N@H+](C)C1CCCC1)C(N)=O ZINC000045384907 175372510 /nfs/dbraw/zinc/37/25/10/175372510.db2.gz OMURIIKVFFDXHG-OAHLLOKOSA-N 2 0 269.433 1.885 10 0 CDAERP CC[NH2+][C@@](C)(CCCC[NH+]1CCC(OCC)CC1)C(N)=O ZINC000045420123 175378770 /nfs/dbraw/zinc/37/87/70/175378770.db2.gz RZNNCAHHJUMYMC-INIZCTEOSA-N 2 0 299.459 1.511 10 0 CDAERP CC[N@H+](CCC[C@@](C)([NH2+]C(C)C)C(N)=O)C[C@@H]1CCCO1 ZINC000045421666 175379598 /nfs/dbraw/zinc/37/95/98/175379598.db2.gz MIFTYXIQAMLRLE-GOEBONIOSA-N 2 0 299.459 1.510 10 0 CDAERP CCC[C@@H]1C[C@@](C[NH3+])(N2CC[C@H]([NH+](C)C)C2)CCO1 ZINC000070366278 175896087 /nfs/dbraw/zinc/89/60/87/175896087.db2.gz FBCOCKQLFMKTES-ZNMIVQPWSA-N 2 0 269.433 1.299 10 0 CDAERP CC[NH2+][C@](CO)(CN(C)C1CC[NH+](CC)CC1)C1CC1 ZINC000070514535 175963991 /nfs/dbraw/zinc/96/39/91/175963991.db2.gz NQADEBVOCNBNRZ-INIZCTEOSA-N 2 0 283.460 1.153 10 0 CDAERP C[NH+](C)C(C)(C)CN1CCC[C@@H]([NH2+]C2CC2)C1=O ZINC000071031579 176022860 /nfs/dbraw/zinc/02/28/60/176022860.db2.gz WVWXNFARACQNHX-GFCCVEGCSA-N 2 0 253.390 1.070 10 0 CDAERP CC(C)[NH2+][C@@H]1CCCN([C@@H]2C[NH+]3CCC2CC3)C1=O ZINC000071032875 176023400 /nfs/dbraw/zinc/02/34/00/176023400.db2.gz ZIPLSAVVPDSTMJ-ZIAGYGMSSA-N 2 0 265.401 1.070 10 0 CDAERP CCC[NH2+][C@@H]1CCCN(CCCC[NH+](C)C)C1=O ZINC000071033926 176024312 /nfs/dbraw/zinc/02/43/12/176024312.db2.gz BCGZHSUUUQSUIZ-CYBMUJFWSA-N 2 0 255.406 1.319 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)N1CCC[C@H]([NH2+]C2CC2)C1=O ZINC000071034297 176024358 /nfs/dbraw/zinc/02/43/58/176024358.db2.gz QLJCKOFOTWWCBK-UONOGXRCSA-N 2 0 267.417 1.316 10 0 CDAERP CCC[NH2+][C@H]1CCN([C@@H](C)C[NH+](CC)CC)C1=O ZINC000071034736 176024711 /nfs/dbraw/zinc/02/47/11/176024711.db2.gz NEXDZTAMFDCYQX-STQMWFEESA-N 2 0 255.406 1.317 10 0 CDAERP CC[NH2+][C@H]1CCN(CCC[N@H+](C)Cc2ccccc2)C1=O ZINC000071037934 176026553 /nfs/dbraw/zinc/02/65/53/176026553.db2.gz QUVHPPRWTFBODQ-INIZCTEOSA-N 2 0 289.423 1.719 10 0 CDAERP CC[C@@H]1CCC[C@H]([NH+]2CCN(CCC[NH3+])CC2)C1 ZINC000071147368 176043191 /nfs/dbraw/zinc/04/31/91/176043191.db2.gz USUFZAZLURZKPM-CABCVRRESA-N 2 0 253.434 1.922 10 0 CDAERP CC[C@H]1CCCC[C@@]1(C[NH3+])N1CCC[N@H+](C)CC1 ZINC000071161555 176046260 /nfs/dbraw/zinc/04/62/60/176046260.db2.gz BOBOSKNAEBNLAU-GJZGRUSLSA-N 2 0 253.434 1.922 10 0 CDAERP COc1ccc(C[C@@](C)(C[NH3+])N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000071169370 176050365 /nfs/dbraw/zinc/05/03/65/176050365.db2.gz YUOSKOPWVBHVEQ-RDJZCZTQSA-N 2 0 291.439 1.591 10 0 CDAERP CN(C[C@H]1CC[N@H+](C)C1)[C@@H](CC[NH3+])C(F)(F)F ZINC000071188234 176062551 /nfs/dbraw/zinc/06/25/51/176062551.db2.gz LVPMOMHCFROUGF-UWVGGRQHSA-N 2 0 253.312 1.150 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C1(C[NH3+])CCCCC1 ZINC000071189083 176064688 /nfs/dbraw/zinc/06/46/88/176064688.db2.gz WSDWKAJDWRXDDZ-CYBMUJFWSA-N 2 0 267.417 1.306 10 0 CDAERP CN(C[C@H]1CC[N@H+](C)C1)C(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000071189801 176065758 /nfs/dbraw/zinc/06/57/58/176065758.db2.gz SVFRXISDYRDPHX-KBPBESRZSA-N 2 0 267.417 1.319 10 0 CDAERP C[NH2+]Cc1ccc(CN(C)C[C@H]2CC[N@H+](C)C2)o1 ZINC000071191953 176072530 /nfs/dbraw/zinc/07/25/30/176072530.db2.gz VWPNJWTWJAULAZ-LBPRGKRZSA-N 2 0 251.374 1.383 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)CC1CCC([NH3+])CC1 ZINC000071193268 176075183 /nfs/dbraw/zinc/07/51/83/176075183.db2.gz MAMWQCNOQZOXKP-ROKHWSDSSA-N 2 0 267.417 1.304 10 0 CDAERP CC(C)[NH+](CCN1CC[C@H]([NH2+]C2CC2)C1)C(C)C ZINC000071197768 176076546 /nfs/dbraw/zinc/07/65/46/176076546.db2.gz GGQKYWYKQNQXHV-HNNXBMFYSA-N 2 0 253.434 1.932 10 0 CDAERP CC[C@@H]([NH3+])[C@@H](c1ccco1)N1CC[NH+](CC(C)(C)O)CC1 ZINC000071380201 176144228 /nfs/dbraw/zinc/14/42/28/176144228.db2.gz KRFXCJLMHZMPIO-HIFRSBDPSA-N 2 0 295.427 1.447 10 0 CDAERP CC(C)(O)C[NH+]1CCN(C[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000071380467 176144977 /nfs/dbraw/zinc/14/49/77/176144977.db2.gz CUEFBWDVDALXRR-MRXNPFEDSA-N 2 0 291.439 1.117 10 0 CDAERP CC(C)(O)C[NH+]1CCN(CC(C)(C)C[NH2+]C2CC2)CC1 ZINC000071381746 176145607 /nfs/dbraw/zinc/14/56/07/176145607.db2.gz VFCLACMBZZZZRU-UHFFFAOYSA-N 2 0 283.460 1.153 10 0 CDAERP CCC[NH+]1CCC([C@H](C)[NH2+]C[C@H]2CCC(=O)N2)CC1 ZINC000079926744 177581389 /nfs/dbraw/zinc/58/13/89/177581389.db2.gz POLCGZWXJQZXJE-GXTWGEPZSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@@H]1CCC[N@H+](CCNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000237465077 287352640 /nfs/dbraw/zinc/35/26/40/287352640.db2.gz DSMKNNZTEJSGBP-UGUYLWEFSA-N 2 0 293.455 1.755 10 0 CDAERP CCC[NH2+]C[C@@](C)(NC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001666021342 1173100948 /nfs/dbraw/zinc/10/09/48/1173100948.db2.gz BNQYNDVZJIZADD-XJKSGUPXSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@@H](NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)C(C)(C)C[NH+](C)C ZINC000417853281 226649426 /nfs/dbraw/zinc/64/94/26/226649426.db2.gz IGQLNVXGJJBHRW-OCCSQVGLSA-N 2 0 296.459 1.499 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1C[C@@H](O)C1 ZINC000521188388 260367588 /nfs/dbraw/zinc/36/75/88/260367588.db2.gz OEEIXJKGKCXXAY-XBXGTLAGSA-N 2 0 258.325 1.189 10 0 CDAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655446953 423865386 /nfs/dbraw/zinc/86/53/86/423865386.db2.gz CPAPYLHEQCLMDR-HOCLYGCPSA-N 2 0 297.362 1.596 10 0 CDAERP C[C@H](C[NH2+]CCF)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001667008492 1173220744 /nfs/dbraw/zinc/22/07/44/1173220744.db2.gz VEKDVYBKNFFFDN-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1ccc(C[NH3+])cc1F ZINC000652214580 424062975 /nfs/dbraw/zinc/06/29/75/424062975.db2.gz KOZOVLKZULWFMI-HZMBPMFUSA-N 2 0 294.374 1.082 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)NCC1=CC[NH2+]CC1 ZINC000652213934 424063765 /nfs/dbraw/zinc/06/37/65/424063765.db2.gz LEICLYQADDMJAV-UHFFFAOYSA-N 2 0 282.432 1.183 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)NC[C@@H]([NH3+])C(C)C ZINC000652206422 424028843 /nfs/dbraw/zinc/02/88/43/424028843.db2.gz HZVYUJMOGUKPTR-CYBMUJFWSA-N 2 0 272.437 1.247 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000655243118 424041318 /nfs/dbraw/zinc/04/13/18/424041318.db2.gz PSFVAYKCFLHTLL-OTVXOJSOSA-N 2 0 281.444 1.563 10 0 CDAERP C[C@H]1CCC[C@@](CNC(=O)C[C@H]2CC[NH2+]C2)([NH+](C)C)C1 ZINC000662401364 424044652 /nfs/dbraw/zinc/04/46/52/424044652.db2.gz SAWUNLBFWIRLKR-SQWLQELKSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@@H]([NH2+]C)C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000662512945 424145420 /nfs/dbraw/zinc/14/54/20/424145420.db2.gz UKVQRICKXCASSG-UKRRQHHQSA-N 2 0 277.412 1.621 10 0 CDAERP C[C@@]12COC[C@@H]1C[N@H+](CCC[NH+]1CCCCC1)C2 ZINC000661698385 424184974 /nfs/dbraw/zinc/18/49/74/424184974.db2.gz BCICYIHLUJEWHK-LSDHHAIUSA-N 2 0 252.402 1.831 10 0 CDAERP [NH3+]C[C@]12CCC[C@H]1CN(Cc1nc(-c3ccoc3)no1)C2 ZINC000652351871 424289092 /nfs/dbraw/zinc/28/90/92/424289092.db2.gz BFFJHUWKJYRZPX-WFASDCNBSA-N 2 0 288.351 1.890 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCCF ZINC001667059266 1173228130 /nfs/dbraw/zinc/22/81/30/1173228130.db2.gz OEUOAZKSKCLRJW-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000195129958 265114015 /nfs/dbraw/zinc/11/40/15/265114015.db2.gz SOQCZAUTXAQEJQ-UONOGXRCSA-N 2 0 284.448 1.356 10 0 CDAERP C[C@@H]1CC[C@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)CS1 ZINC000655686561 424384297 /nfs/dbraw/zinc/38/42/97/424384297.db2.gz KVQFDUQBSPFVPU-KGLIPLIRSA-N 2 0 285.501 1.886 10 0 CDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)CC(C)(C)[NH3+] ZINC000309724436 424350134 /nfs/dbraw/zinc/35/01/34/424350134.db2.gz NBELEUBSDHDOIU-CYBMUJFWSA-N 2 0 277.412 1.751 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000659256632 424413244 /nfs/dbraw/zinc/41/32/44/424413244.db2.gz QOLNVEGFOJKBSG-HNNXBMFYSA-N 2 0 293.411 1.334 10 0 CDAERP C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000400953420 424417390 /nfs/dbraw/zinc/41/73/90/424417390.db2.gz YRBTULWUXVBITF-OCCSQVGLSA-N 2 0 267.417 1.352 10 0 CDAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CC[C@H](C)SC1 ZINC000655757600 424446634 /nfs/dbraw/zinc/44/66/34/424446634.db2.gz UXAMRUYXROCFTB-ILXRZTDVSA-N 2 0 285.501 1.886 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]2C[NH2+]Cc3ccccc32)C1 ZINC000655488894 424509201 /nfs/dbraw/zinc/50/92/01/424509201.db2.gz IKAMPBWKLCBMSG-BJJXKVORSA-N 2 0 287.407 1.330 10 0 CDAERP C[C@H](CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)[NH+](C)C ZINC000662858683 424532744 /nfs/dbraw/zinc/53/27/44/424532744.db2.gz HJPZTRASGVFXIY-RQJABVFESA-N 2 0 267.417 1.364 10 0 CDAERP OCC1(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000652037325 424618712 /nfs/dbraw/zinc/61/87/12/424618712.db2.gz MFYACDYPTAXISI-ZIAGYGMSSA-N 2 0 252.402 1.756 10 0 CDAERP C[C@@H](O)C[NH2+]CC[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001667279503 1173252251 /nfs/dbraw/zinc/25/22/51/1173252251.db2.gz UQWMZKAIRYQKDS-HUUCEWRRSA-N 2 0 299.459 1.070 10 0 CDAERP C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000300522781 270320245 /nfs/dbraw/zinc/32/02/45/270320245.db2.gz OPSOEQYUMUGOBS-QWHCGFSZSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)[C@H](C[NH2+]CC1(F)CC1)N1CC[NH+](C)CC1 ZINC000525981522 270630416 /nfs/dbraw/zinc/63/04/16/270630416.db2.gz UONGMFQYBXTPRK-ZDUSSCGKSA-N 2 0 257.397 1.350 10 0 CDAERP Cc1ccn(-c2ccccc2C[NH2+][C@H](C)C2C[NH2+]C2)n1 ZINC000422995178 274814652 /nfs/dbraw/zinc/81/46/52/274814652.db2.gz XHDJGNWRGWAHNH-CYBMUJFWSA-N 2 0 270.380 1.878 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH2+]CC2(CCO)CCC2)[C@@H](C)C1 ZINC000358290919 276395767 /nfs/dbraw/zinc/39/57/67/276395767.db2.gz FCOGXSJOFMEQJK-UONOGXRCSA-N 2 0 254.418 1.859 10 0 CDAERP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCC(=O)NC2(C)C)CC1 ZINC000334799628 276884868 /nfs/dbraw/zinc/88/48/68/276884868.db2.gz UYWMXOWOVHUOEZ-GFCCVEGCSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)C[NH+]1CCC(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000236771913 277385625 /nfs/dbraw/zinc/38/56/25/277385625.db2.gz DTPGUQUTQJJZSJ-OLZOCXBDSA-N 2 0 267.417 1.350 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000417820531 278221310 /nfs/dbraw/zinc/22/13/10/278221310.db2.gz YKVQPGGXFAGMJD-CQSZACIVSA-N 2 0 291.395 1.741 10 0 CDAERP CC(C)C[NH+]1CCC(NC(=O)N[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000416934127 278868754 /nfs/dbraw/zinc/86/87/54/278868754.db2.gz DBZHLMQOPOWTQN-VXGBXAGGSA-N 2 0 270.421 1.142 10 0 CDAERP C[C@@H]1C[N@H+](C)C[C@@H]1NC1CC[NH+](C2CCC2)CC1 ZINC000335780024 288089786 /nfs/dbraw/zinc/08/97/86/288089786.db2.gz BIKFTIXHRFALAZ-DOMZBBRYSA-N 2 0 251.418 1.543 10 0 CDAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CC[C@H]2SC)CC1 ZINC000425357944 279363147 /nfs/dbraw/zinc/36/31/47/279363147.db2.gz QLZYJENYXGFGAQ-QLFBSQMISA-N 2 0 285.501 1.744 10 0 CDAERP COC[C@@H](C)C[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000131891050 279691084 /nfs/dbraw/zinc/69/10/84/279691084.db2.gz CMNLBVPKKIEYRG-GJZGRUSLSA-N 2 0 271.449 1.131 10 0 CDAERP CC[C@H]1CCCCC[N@@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414694383 288187430 /nfs/dbraw/zinc/18/74/30/288187430.db2.gz FWEMTYMQGGKFCH-CABCVRRESA-N 2 0 281.444 1.838 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCN[C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422731293 280254739 /nfs/dbraw/zinc/25/47/39/280254739.db2.gz NKRYLAXYWNULFU-BRWVUGGUSA-N 2 0 295.471 1.608 10 0 CDAERP CC(C)[C@H]([NH3+])CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000418388911 280283899 /nfs/dbraw/zinc/28/38/99/280283899.db2.gz VYNNNVVZUVVCBF-FRRDWIJNSA-N 2 0 270.421 1.094 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COCC(C)C)[C@@H](C)C1 ZINC000246525465 280287716 /nfs/dbraw/zinc/28/77/16/280287716.db2.gz JCIKYJKUDZDLBP-XHSDSOJGSA-N 2 0 286.460 1.682 10 0 CDAERP COCC(C)(C)C[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000355648949 280663263 /nfs/dbraw/zinc/66/32/63/280663263.db2.gz KIEQXJVSCCXJOS-UHFFFAOYSA-N 2 0 293.411 1.885 10 0 CDAERP C[C@H](Cc1ccoc1)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000515125355 280874467 /nfs/dbraw/zinc/87/44/67/280874467.db2.gz MHGALYTVRPSPOA-OAHLLOKOSA-N 2 0 279.428 1.828 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CCC1CC[NH2+]CC1 ZINC000094440714 288293359 /nfs/dbraw/zinc/29/33/59/288293359.db2.gz MFNKCCXVDQCQDG-GDBMZVCRSA-N 2 0 265.445 1.935 10 0 CDAERP O[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@H]1CCCO1 ZINC000527757400 281177881 /nfs/dbraw/zinc/17/78/81/281177881.db2.gz OZKJEFPGGNRJNP-IAGOWNOFSA-N 2 0 296.455 1.913 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000263228940 288303120 /nfs/dbraw/zinc/30/31/20/288303120.db2.gz NCXYOPIZXAMINT-HGTKMLMNSA-N 2 0 279.428 1.589 10 0 CDAERP CC1(C)NC(=O)CC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000338776612 281386602 /nfs/dbraw/zinc/38/66/02/281386602.db2.gz VFVZHDFHONFWKI-AVGNSLFASA-N 2 0 265.401 1.260 10 0 CDAERP C[NH+](C)C1(CN[C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CCCC1 ZINC000262022553 282044382 /nfs/dbraw/zinc/04/43/82/282044382.db2.gz WTEMCQFOIQPVGR-ARFHVFGLSA-N 2 0 295.471 1.608 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000417932480 289102285 /nfs/dbraw/zinc/10/22/85/289102285.db2.gz MTSMHKCLPPNZGP-UXUKBGGZSA-N 2 0 282.432 1.143 10 0 CDAERP CC[NH+](CC)C[C@@H]1CC[N@H+](CC2(O)CCOCC2)C1 ZINC000154134703 289195579 /nfs/dbraw/zinc/19/55/79/289195579.db2.gz JLZDHPXFZCKZKI-AWEZNQCLSA-N 2 0 270.417 1.192 10 0 CDAERP Cc1ccc(C[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)o1 ZINC000157306540 289283452 /nfs/dbraw/zinc/28/34/52/289283452.db2.gz OCUWVQGQSYTOMW-HNNXBMFYSA-N 2 0 295.427 1.770 10 0 CDAERP Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000158249097 289304701 /nfs/dbraw/zinc/30/47/01/289304701.db2.gz QQDRPJWQVJGMNQ-OWCLPIDISA-N 2 0 292.423 1.807 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC000362574445 289351774 /nfs/dbraw/zinc/35/17/74/289351774.db2.gz DYPKFZSLVBOODP-CQSZACIVSA-N 2 0 267.417 1.175 10 0 CDAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+]1CCC[C@@H](C)C1 ZINC000561145825 293054690 /nfs/dbraw/zinc/05/46/90/293054690.db2.gz JZNSGOPTRWBMKV-RBSFLKMASA-N 2 0 281.444 1.565 10 0 CDAERP [NH3+]CC12CCC(CC1)CN2C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000570692359 294290217 /nfs/dbraw/zinc/29/02/17/294290217.db2.gz BTSNFILXABNIPL-ISXOHVOVSA-N 2 0 287.407 1.286 10 0 CDAERP C[C@H]([NH2+]CCN1CCSCC1)[C@H]1CCC[NH2+]C1 ZINC000571193998 294386860 /nfs/dbraw/zinc/38/68/60/294386860.db2.gz DWOWBRSTBPULSZ-STQMWFEESA-N 2 0 257.447 1.013 10 0 CDAERP COc1ccc([C@H](NC[C@@H]2CCC[NH2+]2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423230925 295245143 /nfs/dbraw/zinc/24/51/43/295245143.db2.gz FSVBRCUWBZQBRG-XIRDDKMYSA-N 2 0 289.423 1.830 10 0 CDAERP [NH3+][C@@H](CNC(=O)NCC[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000418345980 295295023 /nfs/dbraw/zinc/29/50/23/295295023.db2.gz MDODMDFHMCWXIY-ZFWWWQNUSA-N 2 0 290.411 1.375 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000418622901 297105975 /nfs/dbraw/zinc/10/59/75/297105975.db2.gz VPAWOLHZCFTACN-CBBWQLFWSA-N 2 0 294.443 1.110 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CC23CC[NH2+]CC3)CC[N@@H+]1C ZINC000261886744 297258295 /nfs/dbraw/zinc/25/82/95/297258295.db2.gz BCRORACECWDRTI-HZSPNIEDSA-N 2 0 279.428 1.317 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]C[C@H](C)OC ZINC001669206605 1173516498 /nfs/dbraw/zinc/51/64/98/1173516498.db2.gz GIKFHUIRPZJTQM-MFHOCJEASA-N 2 0 297.443 1.158 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CC[NH2+]1 ZINC000369091536 300397811 /nfs/dbraw/zinc/39/78/11/300397811.db2.gz JCWQHMSXAAEFQY-AEGPPILISA-N 2 0 279.428 1.365 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]([NH+](C)C)C2)CC[N@@H+]1C ZINC000468105499 300399587 /nfs/dbraw/zinc/39/95/87/300399587.db2.gz ZWQRYTIZSNRJBI-IHRRRGAJSA-N 2 0 267.417 1.269 10 0 CDAERP CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001669985140 1173638763 /nfs/dbraw/zinc/63/87/63/1173638763.db2.gz DGULVZIORFOAKS-UONOGXRCSA-N 2 0 269.433 1.611 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)NC2(C)CC[NH2+]CC2)CC1 ZINC000567146964 316745918 /nfs/dbraw/zinc/74/59/18/316745918.db2.gz DFPWAXBIEOBEKV-UHFFFAOYSA-N 2 0 296.459 1.550 10 0 CDAERP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000384255649 323679873 /nfs/dbraw/zinc/67/98/73/323679873.db2.gz OFQHMANPMAQYOA-DZGCQCFKSA-N 2 0 281.444 1.707 10 0 CDAERP CC[NH2+]CCCNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000578729997 324006345 /nfs/dbraw/zinc/00/63/45/324006345.db2.gz GMLWBSFUORHWDI-KGLIPLIRSA-N 2 0 284.448 1.358 10 0 CDAERP CC[NH2+]CCCNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000578729996 324006392 /nfs/dbraw/zinc/00/63/92/324006392.db2.gz GMLWBSFUORHWDI-KBPBESRZSA-N 2 0 284.448 1.358 10 0 CDAERP CC[N@@H+]1CC[C@H]2OCCN(CC[C@@H]3CCC[NH+]3C)[C@H]2C1 ZINC000579263017 324145719 /nfs/dbraw/zinc/14/57/19/324145719.db2.gz CILUGZPKOPMOHI-HRCADAONSA-N 2 0 281.444 1.266 10 0 CDAERP CN(CCC[NH3+])C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000579570490 324219392 /nfs/dbraw/zinc/21/93/92/324219392.db2.gz MIBSTPDOQSSVPF-OAHLLOKOSA-N 2 0 292.427 1.150 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)CN2CC(C)(C)C2)[C@@H](C)C1 ZINC000583701923 325225987 /nfs/dbraw/zinc/22/59/87/325225987.db2.gz DOINMBWVYOEUBA-UONOGXRCSA-N 2 0 281.444 1.517 10 0 CDAERP C[NH+](C)C1(C(=O)N2CC[C@@H](C[NH2+]C/C=C/Cl)C2)CCC1 ZINC001267045816 1159096750 /nfs/dbraw/zinc/09/67/50/1159096750.db2.gz UIYZZQFRDNQVKG-GBVBUYCNSA-N 2 0 299.846 1.661 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001725651777 1159262149 /nfs/dbraw/zinc/26/21/49/1159262149.db2.gz GJEOVAPAORZKAC-UONOGXRCSA-N 2 0 269.433 1.611 10 0 CDAERP CC[C@H](C(=O)NC[C@H]1CC[N@H+](CC2CC2)C1)[NH+](C)C ZINC001481098770 1159523130 /nfs/dbraw/zinc/52/31/30/1159523130.db2.gz HJXKYHUUBLQFPI-ZIAGYGMSSA-N 2 0 267.417 1.175 10 0 CDAERP CCC[NH2+]C/C=C/CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001268552101 1159968186 /nfs/dbraw/zinc/96/81/86/1159968186.db2.gz JMZXCGFRTRQJAI-ISZGNANSSA-N 2 0 267.417 1.533 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)C[NH2+]C/C=C/Cl)[NH+](C)C ZINC001482113478 1159982610 /nfs/dbraw/zinc/98/26/10/1159982610.db2.gz NWEFLMIUVYCESW-BYAJROORSA-N 2 0 275.824 1.421 10 0 CDAERP C[NH+](C)C1(CNC(=O)CC2([NH3+])CC2)CCCCC1 ZINC000398106581 482243354 /nfs/dbraw/zinc/24/33/54/482243354.db2.gz ZULJAOQRJPHLLG-UHFFFAOYSA-N 2 0 253.390 1.249 10 0 CDAERP CCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001271206889 1160312329 /nfs/dbraw/zinc/31/23/29/1160312329.db2.gz KESKHONGCHVAGD-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP CC[N@H+](CCC(F)(F)F)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662257321 482208160 /nfs/dbraw/zinc/20/81/60/482208160.db2.gz MHVLZLOPSZKJJF-SNVBAGLBSA-N 2 0 266.307 1.782 10 0 CDAERP [NH3+]C/C=C/CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000668623232 482492884 /nfs/dbraw/zinc/49/28/84/482492884.db2.gz CGUKMCSAAVDPGJ-AORQRIRUSA-N 2 0 292.383 1.231 10 0 CDAERP O=C(NC[C@@H]1CCCC[NH2+]1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000669509455 482513975 /nfs/dbraw/zinc/51/39/75/482513975.db2.gz HEYZWUDWOXXCPV-RFGFWPKPSA-N 2 0 265.401 1.165 10 0 CDAERP CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC[C@H]1[NH3+] ZINC000669515838 482537700 /nfs/dbraw/zinc/53/77/00/482537700.db2.gz FOXFLLCITOIEPA-KHMAMNHCSA-N 2 0 279.428 1.493 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000417291391 482579591 /nfs/dbraw/zinc/57/95/91/482579591.db2.gz VOLPEKMPJBFDFV-MELADBBJSA-N 2 0 282.432 1.253 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)NC/C=C/C[NH3+])c1ccsc1 ZINC000669300975 482674961 /nfs/dbraw/zinc/67/49/61/482674961.db2.gz LRLXRAFGNDJEOI-PCAWENJQSA-N 2 0 282.413 1.165 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCC[C@H](OC)C2)CC1 ZINC000684369804 482776917 /nfs/dbraw/zinc/77/69/17/482776917.db2.gz BCKKVNCRLMRZSN-OAGGEKHMSA-N 2 0 283.460 1.560 10 0 CDAERP [NH3+][C@@H]1CCC[C@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000669575225 482779084 /nfs/dbraw/zinc/77/90/84/482779084.db2.gz WLBKCORIAHJNJT-DNDYEEKYSA-N 2 0 294.443 1.572 10 0 CDAERP CO[C@@H]1CCC[C@H]([NH2+]CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC000684385606 482785844 /nfs/dbraw/zinc/78/58/44/482785844.db2.gz YEXJAOJROZGRHU-LSDHHAIUSA-N 2 0 284.444 1.769 10 0 CDAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(C[NH3+])c1 ZINC000094462994 482789805 /nfs/dbraw/zinc/78/98/05/482789805.db2.gz ATYJTFNOYPLTPW-SWLSCSKDSA-N 2 0 288.395 1.846 10 0 CDAERP C[NH+](C/C=C\C[N@@H+](C)C1CCOCC1)C1CCOCC1 ZINC000673755447 482832926 /nfs/dbraw/zinc/83/29/26/482832926.db2.gz LZQZDFDDXMJYAQ-ARJAWSKDSA-N 2 0 282.428 1.764 10 0 CDAERP O=C([C@H]1C[NH2+]Cc2ccccc21)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000335452562 482833833 /nfs/dbraw/zinc/83/38/33/482833833.db2.gz MRSIGNCFYYWLNR-WMZOPIPTSA-N 2 0 299.418 1.476 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000389585720 482837821 /nfs/dbraw/zinc/83/78/21/482837821.db2.gz MXEFDOXBKOXKDU-JSGCOSHPSA-N 2 0 253.390 1.119 10 0 CDAERP C[C@H]([NH2+][C@H]1CCC[C@H](CO)C1)C1CC[NH+](C)CC1 ZINC000380726258 482870562 /nfs/dbraw/zinc/87/05/62/482870562.db2.gz IBNPEDLLOKZPFP-YDHLFZDLSA-N 2 0 254.418 1.857 10 0 CDAERP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)C1(S(C)(=O)=O)CC1 ZINC000671768100 482876668 /nfs/dbraw/zinc/87/66/68/482876668.db2.gz BHKDEPWTZONSJJ-NWDGAFQWSA-N 2 0 288.457 1.272 10 0 CDAERP CC(C)[NH+]1CCN(C2CC[NH+](C[C@@H](C)CO)CC2)CC1 ZINC000678045805 482905455 /nfs/dbraw/zinc/90/54/55/482905455.db2.gz KXMWHTZZWOYDSM-OAHLLOKOSA-N 2 0 283.460 1.105 10 0 CDAERP C[C@@H](C[NH2+][C@H]1CCCSCC1)CN1CC[NH+](C)CC1 ZINC000657868628 482906344 /nfs/dbraw/zinc/90/63/44/482906344.db2.gz CEWTUXQSUFRVTR-GJZGRUSLSA-N 2 0 285.501 1.745 10 0 CDAERP C[NH2+][C@H](C)C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000390739859 482922405 /nfs/dbraw/zinc/92/24/05/482922405.db2.gz LIVARAKFGGHUGD-CHWSQXEVSA-N 2 0 263.385 1.231 10 0 CDAERP Cc1cc(C)n2c(CN[C@@H]3C[NH2+]CC[C@@H]3C)cnc2n1 ZINC000666860518 482954411 /nfs/dbraw/zinc/95/44/11/482954411.db2.gz PHUSNPUCAOTSCK-IINYFYTJSA-N 2 0 273.384 1.434 10 0 CDAERP C[C@@H](C(=O)NC1CC([NH+](C)C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000670445797 482992977 /nfs/dbraw/zinc/99/29/77/482992977.db2.gz RTBOUKRCNROUHD-FBBHTEKVSA-N 2 0 267.417 1.457 10 0 CDAERP COCCOCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250168870 483014540 /nfs/dbraw/zinc/01/45/40/483014540.db2.gz KRCDRPYOLFPSKG-ZIAGYGMSSA-N 2 0 256.390 1.113 10 0 CDAERP C[C@@H](CC[NH+](C)C)NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000669420834 483025097 /nfs/dbraw/zinc/02/50/97/483025097.db2.gz NWAPMASWSGJNME-DZGCQCFKSA-N 2 0 282.432 1.112 10 0 CDAERP CC(C)[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089455914 483080181 /nfs/dbraw/zinc/08/01/81/483080181.db2.gz QFAYREHMNBMHQB-HIFRSBDPSA-N 2 0 281.444 1.693 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CCC(C)([NH3+])CC1 ZINC000669469268 483180844 /nfs/dbraw/zinc/18/08/44/483180844.db2.gz PPDIGSBZERAMPI-ZIAGYGMSSA-N 2 0 296.459 1.772 10 0 CDAERP C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1nccn1C ZINC000667255653 483181723 /nfs/dbraw/zinc/18/17/23/483181723.db2.gz VHMVNQRHFFOMCG-FRRDWIJNSA-N 2 0 293.415 1.605 10 0 CDAERP CC(C)C[C@H]([NH2+][C@H]1CCC[C@H]2C[C@H]21)C(=O)NCC[NH+](C)C ZINC000669848946 483203142 /nfs/dbraw/zinc/20/31/42/483203142.db2.gz OEYIMDGIIUVECX-FZKCQIBNSA-N 2 0 295.471 1.857 10 0 CDAERP CC[NH+]1CCC(CNC(=O)C[C@H]([NH3+])C(C)C)CC1 ZINC000136444872 483404419 /nfs/dbraw/zinc/40/44/19/483404419.db2.gz FEUDWDZKZMSDSC-ZDUSSCGKSA-N 2 0 255.406 1.208 10 0 CDAERP C[C@@H](CN1CCOCC1)C(=O)Nc1ccc2nccn2c1 ZINC000680010751 483515771 /nfs/dbraw/zinc/51/57/71/483515771.db2.gz FZZGOPIZFISIHD-LBPRGKRZSA-N 2 0 288.351 1.241 10 0 CDAERP C[NH+]1CCC(CC(=O)NC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000680359569 483595256 /nfs/dbraw/zinc/59/52/56/483595256.db2.gz TXWFNTDNYDJMAM-CQSZACIVSA-N 2 0 267.417 1.176 10 0 CDAERP CC(C)C[N@H+](C)CCOCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001691593431 1160712032 /nfs/dbraw/zinc/71/20/32/1160712032.db2.gz BPKXSQYXVKEIKG-OAHLLOKOSA-N 2 0 299.459 1.143 10 0 CDAERP CCC[NH2+]C1CCN(CCC[NH+]2CCCC2)CC1 ZINC000049331640 519906889 /nfs/dbraw/zinc/90/68/89/519906889.db2.gz VNRMPHZKWOANEZ-UHFFFAOYSA-N 2 0 253.434 1.936 10 0 CDAERP CCC[NH2+]CCCCC[N@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000052482901 519912411 /nfs/dbraw/zinc/91/24/11/519912411.db2.gz HTZDBOINZHZOTI-ZDUSSCGKSA-N 2 0 276.446 1.275 10 0 CDAERP CC[NH2+]Cc1cccnc1N1CCC[C@H]1C[NH+](C)C ZINC000061654198 520009652 /nfs/dbraw/zinc/00/96/52/520009652.db2.gz MVGVKXPPLBWBDW-AWEZNQCLSA-N 2 0 262.401 1.722 10 0 CDAERP CCO[C@H](C[NH3+])C[N@H+](C)CCCc1ccccc1 ZINC000062739597 520518051 /nfs/dbraw/zinc/51/80/51/520518051.db2.gz ZHPINAAOQAEVQU-OAHLLOKOSA-N 2 0 250.386 1.915 10 0 CDAERP CCC[C@H](C[NH3+])C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000062073581 521099269 /nfs/dbraw/zinc/09/92/69/521099269.db2.gz JLNYFLYDEVVORT-CHWSQXEVSA-N 2 0 255.406 1.210 10 0 CDAERP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccccc1 ZINC001485854528 1161443319 /nfs/dbraw/zinc/44/33/19/1161443319.db2.gz FLRXMBRYAAQNJX-ZBFHGGJFSA-N 2 0 289.423 1.717 10 0 CDAERP CC[N@@H+]1CC[C@@H](C[NH2+]CCCOCC(F)(F)F)C1 ZINC000049312352 521710408 /nfs/dbraw/zinc/71/04/08/521710408.db2.gz ORGKVGLVKBJOCA-NSHDSACASA-N 2 0 268.323 1.887 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(CCC2CC[NH2+]CC2)CC1 ZINC000055067304 522119317 /nfs/dbraw/zinc/11/93/17/522119317.db2.gz HHMCDUCFHSPJGN-CQSZACIVSA-N 2 0 253.434 1.792 10 0 CDAERP CC(C)C[NH2+]CCC[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001717691813 1180791586 /nfs/dbraw/zinc/79/15/86/1180791586.db2.gz JZKCJFRTNBITEH-CABCVRRESA-N 2 0 283.460 1.859 10 0 CDAERP C[NH+]1CCC(CC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000405342935 1186571080 /nfs/dbraw/zinc/57/10/80/1186571080.db2.gz JEGVGVZFPDBHFY-ZIAGYGMSSA-N 3 0 251.418 1.578 10 0 CDAERP CC(C)(C)[NH+]1CCN(C(=O)CC2CCC([NH3+])CC2)CC1 ZINC000055141074 518708221 /nfs/dbraw/zinc/70/82/21/518708221.db2.gz ORXLOCZPEKSMQW-UHFFFAOYSA-N 2 0 281.444 1.837 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055089807 519337171 /nfs/dbraw/zinc/33/71/71/519337171.db2.gz PTQWMEBKMVFEGO-MCIONIFRSA-N 2 0 269.433 1.596 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)[C@@H]1CCC[C@H]([NH3+])[C@H]1C ZINC000055131905 519622649 /nfs/dbraw/zinc/62/26/49/519622649.db2.gz HMTIBLIKGAOYIZ-XQQFMLRXSA-N 2 0 255.406 1.206 10 0 CDAERP CC(C)NC(=O)CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150749318 519702766 /nfs/dbraw/zinc/70/27/66/519702766.db2.gz UAEWIHMRCHTKOR-AWEZNQCLSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)[C@H]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC000055134721 519716316 /nfs/dbraw/zinc/71/63/16/519716316.db2.gz OLUFIYXYIXRJAU-ILXRZTDVSA-N 2 0 283.460 1.796 10 0 CDAERP CC(C)CN(CC[NH2+]Cc1ccccn1)CC[NH+](C)C ZINC000053390690 519717489 /nfs/dbraw/zinc/71/74/89/519717489.db2.gz SWTQIWUMAHDFIR-UHFFFAOYSA-N 2 0 278.444 1.691 10 0 CDAERP CC(C)[NH2+]C[C@H]1CC[C@@H](CN2CCC([NH+](C)C)CC2)O1 ZINC000052477798 519725736 /nfs/dbraw/zinc/72/57/36/519725736.db2.gz YRTRFTXHKKPGDL-CVEARBPZSA-N 2 0 283.460 1.558 10 0 CDAERP CC(C)C[NH+]1CCN(C[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000055083687 519726180 /nfs/dbraw/zinc/72/61/80/519726180.db2.gz DZQKPZULWWYXSF-KRWDZBQOSA-N 2 0 275.440 1.830 10 0 CDAERP CC(C)C[NH+]1CCN(C[C@]2(C[NH2+]C3CC3)CCOC2)CC1 ZINC000055081729 519726571 /nfs/dbraw/zinc/72/65/71/519726571.db2.gz YJJRVNSEQIRLNV-QGZVFWFLSA-N 2 0 295.471 1.419 10 0 CDAERP CC(C)C[NH2+]CCCN1CC[NH+](CC2CC2)CC1 ZINC000052372438 519743546 /nfs/dbraw/zinc/74/35/46/519743546.db2.gz RHZDUYYGNDGNMA-UHFFFAOYSA-N 2 0 253.434 1.650 10 0 CDAERP CC(C)C[C@@H](C)OC[C@@H](O)C[NH2+][C@@H](C)CC[NH+](C)C ZINC000049557245 519774140 /nfs/dbraw/zinc/77/41/40/519774140.db2.gz HBYYVXQQMHSLIY-ZNMIVQPWSA-N 2 0 274.449 1.728 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)C[C@H]2CSCC[NH2+]2)CC1 ZINC000236770419 519842281 /nfs/dbraw/zinc/84/22/81/519842281.db2.gz QZQZFCRZIASTTH-AWEZNQCLSA-N 2 0 299.484 1.320 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)CCC[NH2+]C)CC1 ZINC000236758814 519842367 /nfs/dbraw/zinc/84/23/67/519842367.db2.gz DKAGWTRDZDFQIY-UHFFFAOYSA-N 2 0 255.406 1.224 10 0 CDAERP CCOCCC[NH2+]CCN1CCC[C@@H]1C[NH+](C)C ZINC000061655086 519896587 /nfs/dbraw/zinc/89/65/87/519896587.db2.gz FIFTXMNOHKYUSJ-CQSZACIVSA-N 2 0 257.422 1.029 10 0 CDAERP CC[NH2+]CC1(C[N@H+](C)CCc2ccncc2)CCOCC1 ZINC000052182036 519912019 /nfs/dbraw/zinc/91/20/19/519912019.db2.gz GYYHXWWUFAIKLY-UHFFFAOYSA-N 2 0 291.439 1.962 10 0 CDAERP CC[NH2+]CCC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000061297209 519915589 /nfs/dbraw/zinc/91/55/89/519915589.db2.gz SIIASHNJCITTKZ-UHFFFAOYSA-N 2 0 253.390 1.073 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@H](C[NH+]2CCC(C[NH+](C)C)CC2)O1 ZINC000052515444 519926738 /nfs/dbraw/zinc/92/67/38/519926738.db2.gz CWRVSJWFMRALEE-DLBZAZTESA-N 3 0 297.487 1.807 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)Nc1cc(C[NH+](C)C)ccc1OC ZINC000061231483 519938949 /nfs/dbraw/zinc/93/89/49/519938949.db2.gz VVZLVECBFMBOAD-GFCCVEGCSA-N 2 0 293.411 1.941 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)Cc2ccco2)O1 ZINC000052456860 519951628 /nfs/dbraw/zinc/95/16/28/519951628.db2.gz HZFDBVPNPGADRD-JSGCOSHPSA-N 2 0 252.358 1.869 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@H](CN2CC[NH+](C3CCCC3)CC2)O1 ZINC000052573546 519955333 /nfs/dbraw/zinc/95/53/33/519955333.db2.gz PQMQGUDRNYWOBT-DLBZAZTESA-N 2 0 295.471 1.704 10 0 CDAERP CC[NH2+]C[C@@]1(CN2CC[NH+]([C@H](C)CC)CC2)CCOC1 ZINC000055071763 519958343 /nfs/dbraw/zinc/95/83/43/519958343.db2.gz BWEDTPZQCWUGNT-HZPDHXFCSA-N 2 0 283.460 1.419 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@H+](CCCOC)CCOC)O1 ZINC000052543304 519978186 /nfs/dbraw/zinc/97/81/86/519978186.db2.gz UYQCHLGBPRPNIG-CABCVRRESA-N 2 0 288.432 1.128 10 0 CDAERP CC[NH2+]Cc1cn(CC[N@H+](C)[C@@H]2CCCC[C@@H]2C)nn1 ZINC000052546753 520013019 /nfs/dbraw/zinc/01/30/19/520013019.db2.gz NIXKVMPVJAWLDL-DZGCQCFKSA-N 2 0 279.432 1.898 10 0 CDAERP CC[NH2+][C@@H](CN(C)CC1CC[NH+](C)CC1)C1CC1 ZINC000069075585 520096559 /nfs/dbraw/zinc/09/65/59/520096559.db2.gz YOXBZENCKFRLBZ-HNNXBMFYSA-N 2 0 253.434 1.648 10 0 CDAERP CC[NH2+][C@H](C)CCCC[NH+](CCOC)CCOC ZINC000045601441 520172889 /nfs/dbraw/zinc/17/28/89/520172889.db2.gz FVTOSTNBIXJNPD-CQSZACIVSA-N 2 0 260.422 1.750 10 0 CDAERP CCN(CC)C(=O)CCC[NH+]1CCC(C[NH2+]C)CC1 ZINC000063159935 520460734 /nfs/dbraw/zinc/46/07/34/520460734.db2.gz IGDKFOLEZHRWGO-UHFFFAOYSA-N 2 0 269.433 1.566 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(Cc2ccnc(C[NH3+])c2)C1 ZINC000068750576 520846216 /nfs/dbraw/zinc/84/62/16/520846216.db2.gz KTHVNAWMMLPNDI-OAHLLOKOSA-N 2 0 262.401 1.456 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@@H]2[NH2+]CCC[C@@H]2C)CC1 ZINC000051794763 521551696 /nfs/dbraw/zinc/55/16/96/521551696.db2.gz FPNBMGGWKLPNLS-GXTWGEPZSA-N 2 0 267.417 1.223 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000055147764 521556396 /nfs/dbraw/zinc/55/63/96/521556396.db2.gz HNPMPAJPWQMMCX-ZIAGYGMSSA-N 2 0 281.444 1.694 10 0 CDAERP CCOC1CC[NH+](C[C@@H]2CC[C@H](C[NH2+]C)O2)CC1 ZINC000052484075 521655852 /nfs/dbraw/zinc/65/58/52/521655852.db2.gz QYXNPBDSFCEBTJ-KGLIPLIRSA-N 2 0 256.390 1.254 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000061653597 521864368 /nfs/dbraw/zinc/86/43/68/521864368.db2.gz QJVWSPXQJPTPRO-CQSZACIVSA-N 2 0 276.384 1.703 10 0 CDAERP C[NH2+]C(C)(C)C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000061300135 521934976 /nfs/dbraw/zinc/93/49/76/521934976.db2.gz URNKWOFXILQWNO-LBPRGKRZSA-N 2 0 255.406 1.365 10 0 CDAERP C[NH2+]CC1(C[N@H+](CCOC)[C@@H](C)C2CC2)CCOCC1 ZINC000052183380 521967906 /nfs/dbraw/zinc/96/79/06/521967906.db2.gz WAAOAMFDJUKLDD-AWEZNQCLSA-N 2 0 284.444 1.750 10 0 CDAERP C[NH2+]CCC[C@@H](C)N1CC[NH+](C2CCCC2)CC1 ZINC000052573521 521997548 /nfs/dbraw/zinc/99/75/48/521997548.db2.gz AIOAZHJPIPZKQX-CQSZACIVSA-N 2 0 253.434 1.935 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCn1cc(C[NH2+]C(C)C)nn1 ZINC000052444174 522063304 /nfs/dbraw/zinc/06/33/04/522063304.db2.gz XWUABSQFXVHJJI-GFCCVEGCSA-N 2 0 253.394 1.506 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C[C@]2(C[NH2+]C3CC3)CCOC2)CC1 ZINC000055071804 522124101 /nfs/dbraw/zinc/12/41/01/522124101.db2.gz BJLANFXGTJPYIK-NVXWUHKLSA-N 2 0 295.471 1.561 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(Cc2occc2C[NH2+]C)CC1 ZINC000055073814 522126549 /nfs/dbraw/zinc/12/65/49/522126549.db2.gz ZSXNDSJLGZPPDG-CYBMUJFWSA-N 2 0 265.401 1.915 10 0 CDAERP C[NH2+]Cc1cn(CC[NH+]2CCC(C(C)(C)C)CC2)nn1 ZINC000052373622 522142105 /nfs/dbraw/zinc/14/21/05/522142105.db2.gz HZERHOSLTMNBEX-UHFFFAOYSA-N 2 0 279.432 1.756 10 0 CDAERP CC[C@@H]([NH3+])[C@H](c1ccccn1)N1CCC[C@@H]1C[NH+](C)C ZINC000061642210 522653139 /nfs/dbraw/zinc/65/31/39/522653139.db2.gz XIBBMFDIEXWSLR-IIAWOOMASA-N 2 0 276.428 1.886 10 0 CDAERP CC[C@@H]([NH3+])[C@H](c1cnn(C)c1)N1CC[NH+](CC(C)C)CC1 ZINC000055077035 522655194 /nfs/dbraw/zinc/65/51/94/522655194.db2.gz HUZIMTIJQOYLPP-CVEARBPZSA-N 2 0 293.459 1.472 10 0 CDAERP COC1CC[NH+](CC2(C[NH2+]C3CC3)CCOCC2)CC1 ZINC000052181520 522702600 /nfs/dbraw/zinc/70/26/00/522702600.db2.gz LGQCGMXWYMXHBK-UHFFFAOYSA-N 2 0 282.428 1.646 10 0 CDAERP COC1CC[NH+](CCn2cc(C[NH2+]C(C)(C)C)nn2)CC1 ZINC000052455290 522703281 /nfs/dbraw/zinc/70/32/81/522703281.db2.gz LEXHQUTXSXHXMA-UHFFFAOYSA-N 2 0 295.431 1.277 10 0 CDAERP COCC1CC[NH+](Cc2cc[nH+]c(NN)c2)CC1 ZINC000069632524 522935310 /nfs/dbraw/zinc/93/53/10/522935310.db2.gz MRSNWFMPIPDOOZ-UHFFFAOYSA-N 2 0 250.346 1.226 10 0 CDAERP COCC[N@H+](C)CCn1ccc2c1CCC[C@@H]2[NH3+] ZINC000061380806 523619294 /nfs/dbraw/zinc/61/92/94/523619294.db2.gz RYJBNXVAKGZIAW-ZDUSSCGKSA-N 2 0 251.374 1.402 10 0 CDAERP COCC[NH+](CCOC)Cc1ccc(C(N)=[NH2+])cc1 ZINC000048895461 523719040 /nfs/dbraw/zinc/71/90/40/523719040.db2.gz KQRIKTUFSWMAIH-UHFFFAOYSA-N 2 0 265.357 1.065 10 0 CDAERP C[NH+](C)CCCCNC(=O)[C@H]1CCC[C@@H](CC[NH3+])C1 ZINC000055162595 524052333 /nfs/dbraw/zinc/05/23/33/524052333.db2.gz AWNQZTPVEKVJIA-KBPBESRZSA-N 2 0 269.433 1.600 10 0 CDAERP [NH3+]CCCC[N@@H+]1CCCN(c2ncccc2F)CC1 ZINC000054700358 527175808 /nfs/dbraw/zinc/17/58/08/527175808.db2.gz ZRLWBRYZPOQZLP-UHFFFAOYSA-N 2 0 266.364 1.472 10 0 CDAERP [NH3+]C[C@H](c1ccc(F)cc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062977563 527230639 /nfs/dbraw/zinc/23/06/39/527230639.db2.gz NIOMYTYYSOUSSJ-JKSUJKDBSA-N 2 0 277.387 1.996 10 0 CDAERP OC1(C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)CC[NH2+]CC1 ZINC000051015999 527508565 /nfs/dbraw/zinc/50/85/65/527508565.db2.gz RBCXALCVFHKNRL-UONOGXRCSA-N 2 0 252.402 1.613 10 0 CDAERP CC(C)[NH+](CCCNC(=O)N[C@H](C)[C@@H](C)[NH3+])C(C)C ZINC000417805901 528884011 /nfs/dbraw/zinc/88/40/11/528884011.db2.gz ZNYCVIGOULVALW-CHWSQXEVSA-N 2 0 272.437 1.530 10 0 CDAERP CC[NH2+]Cc1cccc(NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)c1 ZINC000261811558 535481963 /nfs/dbraw/zinc/48/19/63/535481963.db2.gz OUUPMHBPXGZJTH-KGLIPLIRSA-N 2 0 277.368 1.241 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCc1ccc2c(c1)CCO2 ZINC000422726797 536850294 /nfs/dbraw/zinc/85/02/94/536850294.db2.gz FYYBAYODVMTNOK-HNNXBMFYSA-N 2 0 278.396 1.508 10 0 CDAERP C[C@H]1CN(C[C@@H](O)C[N@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000730079339 574852275 /nfs/dbraw/zinc/85/22/75/574852275.db2.gz SMGWNTPOTWXMJO-RDJZCZTQSA-N 2 0 291.439 1.115 10 0 CDAERP C[NH+](C)CCN(C(=O)OC(C)(C)C)c1ccc(C[NH3+])nc1 ZINC000757134854 575932588 /nfs/dbraw/zinc/93/25/88/575932588.db2.gz PQRRDKUNYZCHMI-UHFFFAOYSA-N 2 0 294.399 1.843 10 0 CDAERP CC(C)C[C@H]([NH2+]Cc1ccoc1)C(=O)NCC[NH+](C)C ZINC000758590025 577119968 /nfs/dbraw/zinc/11/99/68/577119968.db2.gz ILTWEKDUBFDNNP-AWEZNQCLSA-N 2 0 281.400 1.462 10 0 CDAERP CCC[N@H+](C)CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001689869400 1175288961 /nfs/dbraw/zinc/28/89/61/1175288961.db2.gz IXTQFCBTALVQPZ-UHFFFAOYSA-N 2 0 269.433 1.566 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001689878140 1175291616 /nfs/dbraw/zinc/29/16/16/1175291616.db2.gz YWNDCKHEKWZLBO-AWEZNQCLSA-N 2 0 281.444 1.566 10 0 CDAERP CC[NH+]1CCC(CC[NH2+]C[C@H](O)CC(C)(C)O)CC1 ZINC000872204136 620698012 /nfs/dbraw/zinc/69/80/12/620698012.db2.gz JQMJXSWIVMNERE-CQSZACIVSA-N 2 0 272.433 1.220 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]CCc2nnc3n2CCCCC3)C12CCC2 ZINC000925533676 617467284 /nfs/dbraw/zinc/46/72/84/617467284.db2.gz OCFVKHHVJYJHMO-OLZOCXBDSA-N 2 0 289.427 1.407 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(CC(N)=O)CCCCC1 ZINC000926729817 617478342 /nfs/dbraw/zinc/47/83/42/617478342.db2.gz URRVWEAHPAYOPS-MZBDJJRSSA-N 2 0 293.455 1.742 10 0 CDAERP CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)C(=O)N1CCOCC1 ZINC000925542956 617487045 /nfs/dbraw/zinc/48/70/45/617487045.db2.gz SAMDQUSHLUHCCL-MJBXVCDLSA-N 2 0 297.443 1.119 10 0 CDAERP CC(C)C(=O)NCCC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925626051 617573599 /nfs/dbraw/zinc/57/35/99/617573599.db2.gz NGRHHPIOFVRGFT-QWHCGFSZSA-N 2 0 269.433 1.644 10 0 CDAERP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925628281 617575843 /nfs/dbraw/zinc/57/58/43/617575843.db2.gz ZMSPDEGLURJAMW-LOWDOPEQSA-N 2 0 267.417 1.397 10 0 CDAERP C[N@@H+]1CC[C@H](NCc2cc(N)cc[nH+]2)[C@@H]2CCC[C@H]21 ZINC000925767417 617617397 /nfs/dbraw/zinc/61/73/97/617617397.db2.gz ONLKUDQYVJFKOU-SOUVJXGZSA-N 2 0 260.385 1.626 10 0 CDAERP CCO[C@@H]1COC[C@H]1[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925692152 617698048 /nfs/dbraw/zinc/69/80/48/617698048.db2.gz MJCBTRKIGNEFON-YVECIDJPSA-N 2 0 256.390 1.286 10 0 CDAERP [NH3+][C@H](CN[C@H]1CC[NH2+]C12CCCC2)c1ccccc1 ZINC000925695274 617719130 /nfs/dbraw/zinc/71/91/30/617719130.db2.gz VMFMZDOBWLEPSJ-CABCVRRESA-N 2 0 259.397 1.951 10 0 CDAERP CC[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1nccn1C ZINC000925799463 617730463 /nfs/dbraw/zinc/73/04/63/617730463.db2.gz VCCRKGOUNVUFSB-UPJWGTAASA-N 2 0 250.390 1.706 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc2c(c1)ncn2C ZINC000925813343 617759104 /nfs/dbraw/zinc/75/91/04/617759104.db2.gz SNHIUDVWSJMDFP-ZDUSSCGKSA-N 2 0 276.384 1.417 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc2c(c1)ncn2C ZINC000925813342 617759661 /nfs/dbraw/zinc/75/96/61/617759661.db2.gz SNHIUDVWSJMDFP-CYBMUJFWSA-N 2 0 276.384 1.417 10 0 CDAERP C(N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000925715581 617832064 /nfs/dbraw/zinc/83/20/64/617832064.db2.gz FBRSDALHZBDLAT-JKSUJKDBSA-N 2 0 277.456 1.983 10 0 CDAERP CC1(C)[C@H]([NH2+][C@H]2CO[C@@H](C3CC3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925716347 617833745 /nfs/dbraw/zinc/83/37/45/617833745.db2.gz DKINAFQZOPVOCJ-ARILJUKYSA-N 2 0 264.413 1.920 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925718961 617841911 /nfs/dbraw/zinc/84/19/11/617841911.db2.gz LAWAWWXPTOMCFP-CAOSSQGBSA-N 2 0 265.445 1.885 10 0 CDAERP C[NH+](C)CC[C@H](N[C@@H]1CCC[C@@H]1C[NH3+])c1cccnc1 ZINC000925828363 617844804 /nfs/dbraw/zinc/84/48/04/617844804.db2.gz WVZVROIBMPKVPZ-BMFZPTHFSA-N 2 0 276.428 1.791 10 0 CDAERP CCO[C@@H](CN[C@@H](C)c1ccc(C[NH3+])nc1C)C[NH+](C)C ZINC000925836816 617867273 /nfs/dbraw/zinc/86/72/73/617867273.db2.gz DICMBHCCRJDVHY-WFASDCNBSA-N 3 0 294.443 1.466 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1nc2c(s1)COCC2 ZINC000925882213 617966699 /nfs/dbraw/zinc/96/66/99/617966699.db2.gz ZMZLEWFPXJVESZ-SWKMLJDHSA-N 2 0 293.436 1.821 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](CCO[C@H]2CCOC2)C1 ZINC000923415872 618326550 /nfs/dbraw/zinc/32/65/50/618326550.db2.gz RYQKECWLSLMNKT-ZFWWWQNUSA-N 2 0 270.417 1.489 10 0 CDAERP C[C@@H](C[NH2+]C1CC2(C1)CO[C@@H](C)C2)CN1CC[NH+](C)CC1 ZINC000924951494 618377645 /nfs/dbraw/zinc/37/76/45/618377645.db2.gz MJEFHKFLYRULHY-JUVOFCAFSA-N 2 0 295.471 1.417 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000817924254 618488831 /nfs/dbraw/zinc/48/88/31/618488831.db2.gz HEJUDAZLAOXUNU-HNNXBMFYSA-N 2 0 280.412 1.758 10 0 CDAERP O=C(O[C@@H]1CCN(CCF)C1)C1CC[NH+](C2CC2)CC1 ZINC000788205717 618723796 /nfs/dbraw/zinc/72/37/96/618723796.db2.gz UIPMGRFIFNRRCO-CQSZACIVSA-N 2 0 284.375 1.448 10 0 CDAERP C[C@H]1CC2(CC([NH2+]C[C@@H]3CCC[N@H+](C)C3)C2)CO1 ZINC000925010648 618766409 /nfs/dbraw/zinc/76/64/09/618766409.db2.gz NAXABAGKNAUXNY-HESLUPGFSA-N 2 0 252.402 1.875 10 0 CDAERP COC(=O)[C@@H]1[C@H](C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)C1(F)F ZINC000894986090 619185136 /nfs/dbraw/zinc/18/51/36/619185136.db2.gz RGBVTYIBAZXMCY-SRVKXCTJSA-N 2 0 290.354 1.362 10 0 CDAERP CC[NH+]1CCC(CC[NH2+][C@@H]2CN3C[C@@H]2CCC3)CC1 ZINC000925152025 620491080 /nfs/dbraw/zinc/49/10/80/620491080.db2.gz QPACVNVQOFCEDI-JKSUJKDBSA-N 2 0 265.445 1.792 10 0 CDAERP CCC[NH+]1CCC(CNC(=[NH2+])N[C@H]2C[C@H]2C)CC1 ZINC000864457918 620925137 /nfs/dbraw/zinc/92/51/37/620925137.db2.gz VRYKKEFEQXJULR-YPMHNXCESA-N 2 0 252.406 1.631 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)N(C)CC2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000925330220 621570871 /nfs/dbraw/zinc/57/08/71/621570871.db2.gz SSBVKMVYIDURMI-OCCSQVGLSA-N 2 0 282.432 1.062 10 0 CDAERP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccnnc2)CC1 ZINC000924657093 621637364 /nfs/dbraw/zinc/63/73/64/621637364.db2.gz FPIGHALYMVMCBS-HNNXBMFYSA-N 2 0 291.443 1.545 10 0 CDAERP CN(CCCC[NH+](C)C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000900768824 623456701 /nfs/dbraw/zinc/45/67/01/623456701.db2.gz IVYRYICJCQADNB-GJZGRUSLSA-N 2 0 281.444 1.804 10 0 CDAERP C1C[C@@H]2[NH2+][C@H]1C[C@@H]2[NH2+][C@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000902463000 624853143 /nfs/dbraw/zinc/85/31/43/624853143.db2.gz YQUKXZHSWPABQF-JEWKUQAESA-N 2 0 250.386 1.674 10 0 CDAERP C1C[C@@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)[C@H]([C@H]2CCCC[NH2+]2)C1 ZINC000902469628 624862894 /nfs/dbraw/zinc/86/28/94/624862894.db2.gz ZDCZOMJCNJBBJV-GTDBDLECSA-N 2 0 263.429 1.780 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000251809578 625883409 /nfs/dbraw/zinc/88/34/09/625883409.db2.gz OKCRHQUENPNGEN-MGPQQGTHSA-N 2 0 267.417 1.445 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2(C3(O)CCOCC3)CC2)CC1(C)C ZINC000903347758 625974094 /nfs/dbraw/zinc/97/40/94/625974094.db2.gz VCXAZZTWSUSAHP-AWEZNQCLSA-N 2 0 296.455 1.771 10 0 CDAERP C[NH+](C)CC[C@@H](NC1CC[NH+](C)CC1)c1cccnc1 ZINC000903384701 625982151 /nfs/dbraw/zinc/98/21/51/625982151.db2.gz STMOJURYFRUVBQ-MRXNPFEDSA-N 2 0 276.428 1.758 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](CCC(N)=O)Cc1ccccc1 ZINC000903430490 625990065 /nfs/dbraw/zinc/99/00/65/625990065.db2.gz UGXOAUHTNJUWJL-HIFRSBDPSA-N 2 0 275.396 1.220 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](CCO)[C@H]1CCc2ccccc21 ZINC000903438363 625992192 /nfs/dbraw/zinc/99/21/92/625992192.db2.gz UWKULGCINLCJNJ-KMFMINBZSA-N 2 0 274.408 1.824 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000903459321 625995029 /nfs/dbraw/zinc/99/50/29/625995029.db2.gz GRXSNJQPQPBEHH-ZDCRXTMVSA-N 2 0 266.307 1.956 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCCN(CC(F)(F)F)CC2)C1 ZINC000903442199 625997076 /nfs/dbraw/zinc/99/70/76/625997076.db2.gz JWBXXUPUBDMJDO-NWDGAFQWSA-N 2 0 279.350 1.684 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C[C@@H]2C[NH2+]C[C@H]2C)C[C@@H]1C ZINC000903443629 625997405 /nfs/dbraw/zinc/99/74/05/625997405.db2.gz FWUGFJDLTFFOSV-CBBWQLFWSA-N 2 0 253.434 1.647 10 0 CDAERP COC(=O)CC[C@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903478958 626005739 /nfs/dbraw/zinc/00/57/39/626005739.db2.gz NTSGGHYMGKSYJC-MCIONIFRSA-N 2 0 268.401 1.779 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC1CCCC1)C2 ZINC000903493114 626011149 /nfs/dbraw/zinc/01/11/49/626011149.db2.gz UNCWKZLZUOWTRQ-GUTXKFCHSA-N 2 0 266.385 1.389 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC1CCCCC1)C2 ZINC000903493471 626011188 /nfs/dbraw/zinc/01/11/88/626011188.db2.gz YBEYWBBSELRMBB-LZWOXQAQSA-N 2 0 280.412 1.779 10 0 CDAERP [NH3+][C@@H]1CN(CC2CC[NH2+]CC2)CC[C@H]1C(F)(F)F ZINC000903535329 626018750 /nfs/dbraw/zinc/01/87/50/626018750.db2.gz YLXMQEIPHYERMZ-GHMZBOCLSA-N 2 0 265.323 1.198 10 0 CDAERP CC[N@H+](CCC(N)=O)Cc1cccc2c1CC[NH2+]C2 ZINC000903577098 626029886 /nfs/dbraw/zinc/02/98/86/626029886.db2.gz FETWQAITPAJSOQ-UHFFFAOYSA-N 2 0 261.369 1.030 10 0 CDAERP C1=CC[C@@H]2C[N@@H+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)C[C@@H]2C1 ZINC000903777382 626090504 /nfs/dbraw/zinc/09/05/04/626090504.db2.gz ATUVNWHISCKHLB-XUWVNRHRSA-N 2 0 262.397 1.653 10 0 CDAERP CC[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)C[C@@H]1CCOC1 ZINC000903883900 626132194 /nfs/dbraw/zinc/13/21/94/626132194.db2.gz LQRPQQRBQCQEIV-KBPBESRZSA-N 2 0 293.415 1.061 10 0 CDAERP C[N@@H+](Cc1cccc(C(N)=O)c1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903886609 626133591 /nfs/dbraw/zinc/13/35/91/626133591.db2.gz RPPLZSGWLJNPDI-VHRNVKJDSA-N 2 0 287.407 1.748 10 0 CDAERP COCC[N@H+](CCC(=O)OC)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903893673 626135215 /nfs/dbraw/zinc/13/52/15/626135215.db2.gz YBFZMEYWXYUTFQ-AGUYFDCRSA-N 2 0 284.400 1.029 10 0 CDAERP OC[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000903923606 626147977 /nfs/dbraw/zinc/14/79/77/626147977.db2.gz YGAYRBKMJVTXKV-YPAMNDHTSA-N 2 0 260.381 1.840 10 0 CDAERP CN(CC[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCC1 ZINC000903922889 626148032 /nfs/dbraw/zinc/14/80/32/626148032.db2.gz HACXGJOEGSWWHW-GOOCMWNKSA-N 2 0 265.445 1.981 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCC[C@H](CCF)C2)cnn1C ZINC000903932755 626152205 /nfs/dbraw/zinc/15/22/05/626152205.db2.gz GGLNHBDJENTAOK-HUUCEWRRSA-N 2 0 296.434 1.918 10 0 CDAERP [NH3+]C[C@@H]1CN(C[C@@H]([NH3+])CC(F)F)C[C@@H]1C(F)(F)F ZINC000903937846 626155848 /nfs/dbraw/zinc/15/58/48/626155848.db2.gz SMCLDJFQHQNUOJ-CSMHCCOUSA-N 2 0 275.265 1.038 10 0 CDAERP [NH3+]CCN(Cc1cccc(Cl)c1)CC12CC(C1)C[NH2+]2 ZINC000903953219 626165978 /nfs/dbraw/zinc/16/59/78/626165978.db2.gz CKXGVWXMCHZWII-UHFFFAOYSA-N 2 0 279.815 1.853 10 0 CDAERP CCc1nn(C)c(CC)c1C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903976837 626169988 /nfs/dbraw/zinc/16/99/88/626169988.db2.gz CXEDASIESWOFMM-CHWSQXEVSA-N 2 0 278.444 1.962 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000903966812 626172385 /nfs/dbraw/zinc/17/23/85/626172385.db2.gz CNRWSUNWIJENAZ-FHUSYTEZSA-N 2 0 272.483 1.811 10 0 CDAERP c1cc2cnccc2c(CN2CC[NH2+]CC[NH2+]CC2)c1 ZINC000904396518 626273733 /nfs/dbraw/zinc/27/37/33/626273733.db2.gz JMZMCOKPWMLIOO-UHFFFAOYSA-N 2 0 270.380 1.230 10 0 CDAERP c1cc(CN2CC[NH2+]CC[NH2+]CC2)cc(C2CC2)c1 ZINC000904396619 626273822 /nfs/dbraw/zinc/27/38/22/626273822.db2.gz SWGYWVYDCBZMSL-UHFFFAOYSA-N 2 0 259.397 1.559 10 0 CDAERP C[C@@H](CNC(=[NH2+])NC[C@@H]1CCCS1)C[NH+]1CCCC1 ZINC000905043650 626383073 /nfs/dbraw/zinc/38/30/73/626383073.db2.gz XJKDYDPCDFSAMI-STQMWFEESA-N 2 0 284.473 1.728 10 0 CDAERP CC(C)[NH2+]CCc1nc(CC2CC[NH2+]CC2)no1 ZINC000905316308 626745525 /nfs/dbraw/zinc/74/55/25/626745525.db2.gz BZVRSVKAERVWIN-UHFFFAOYSA-N 2 0 252.362 1.152 10 0 CDAERP C[NH+](C)Cc1ccsc1C(=O)NC1CC([NH+](C)C)C1 ZINC000908010350 627971252 /nfs/dbraw/zinc/97/12/52/627971252.db2.gz WILUCSKYBOVYMW-UHFFFAOYSA-N 2 0 281.425 1.632 10 0 CDAERP C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC000912803466 630224968 /nfs/dbraw/zinc/22/49/68/630224968.db2.gz PJGMNLFZULQHMW-HUUCEWRRSA-N 2 0 293.455 1.661 10 0 CDAERP C[NH+](C)CC1(C(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)CC1 ZINC000913275990 630428265 /nfs/dbraw/zinc/42/82/65/630428265.db2.gz WPQKMBPCTLAGQH-HUUCEWRRSA-N 2 0 279.428 1.128 10 0 CDAERP CC(C)[C@@H](C(=O)N1CCC(C)([NH+](C)C)CC1)[NH+](C)C ZINC000913396886 630466016 /nfs/dbraw/zinc/46/60/16/630466016.db2.gz LQQOSTMLGAHIBB-ZDUSSCGKSA-N 2 0 269.433 1.515 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]C[C@@H](O)C2CC2)C1 ZINC000840745876 630692966 /nfs/dbraw/zinc/69/29/66/630692966.db2.gz PYTIFPZRWOEWET-VNHYZAJKSA-N 2 0 254.418 1.715 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)NC23CC[NH+](CC2)C3)C1 ZINC000913637122 630723374 /nfs/dbraw/zinc/72/33/74/630723374.db2.gz IAPLONCUIQLHBL-ZDUSSCGKSA-N 2 0 265.401 1.073 10 0 CDAERP C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)C2(O)CCCC2)CCN1C ZINC000929782992 630965103 /nfs/dbraw/zinc/96/51/03/630965103.db2.gz OFFRQZKGGDXYNB-MGPQQGTHSA-N 2 0 270.417 1.067 10 0 CDAERP C(C1CC1)[NH+]1CCC([NH2+][C@@H]2COC[C@@H]2C2CC2)CC1 ZINC000914435989 631471080 /nfs/dbraw/zinc/47/10/80/631471080.db2.gz NHNSKBOHOFXQBX-HZPDHXFCSA-N 2 0 264.413 1.875 10 0 CDAERP CN(CC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2)CC(F)(F)F ZINC000925477939 632723276 /nfs/dbraw/zinc/72/32/76/632723276.db2.gz KMHPBTWIZCCXSS-UWVGGRQHSA-N 2 0 265.323 1.340 10 0 CDAERP C[N@H+](CCN[C@H]1CC[NH2+]C1(C)C)C1CCCCC1 ZINC000925480228 632777136 /nfs/dbraw/zinc/77/71/36/632777136.db2.gz JFUHFZTXXCBKJP-AWEZNQCLSA-N 2 0 253.434 1.981 10 0 CDAERP CCOc1cccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)n1 ZINC000655827713 633159622 /nfs/dbraw/zinc/15/96/22/633159622.db2.gz YOZNWRPPICOTFT-XBXGTLAGSA-N 2 0 263.385 1.910 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC000925346178 633194404 /nfs/dbraw/zinc/19/44/04/633194404.db2.gz RUZORLPBGQHEKJ-UONOGXRCSA-N 2 0 296.459 1.595 10 0 CDAERP O=c1cc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc[nH]1 ZINC000921721213 633240800 /nfs/dbraw/zinc/24/08/00/633240800.db2.gz SWFOIVGOEZDJMH-CQSZACIVSA-N 2 0 279.384 1.114 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001670686516 1158692358 /nfs/dbraw/zinc/69/23/58/1158692358.db2.gz GTECZKLLCZMFTE-YIEVGGLXSA-N 2 0 293.455 1.875 10 0 CDAERP CC[N@@H+]1CC[C@H]1CN(C)C(=O)CCCC[NH+]1CCCC1 ZINC001691075993 1158893280 /nfs/dbraw/zinc/89/32/80/1158893280.db2.gz XOVMGVPNZSITAJ-HNNXBMFYSA-N 2 0 281.444 1.805 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267047259 1159098172 /nfs/dbraw/zinc/09/81/72/1159098172.db2.gz MIOAWDGFOQQEFL-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@H](C[NH2+]CCCF)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001698861823 1159132955 /nfs/dbraw/zinc/13/29/55/1159132955.db2.gz SEUDGHBAGQCNKO-CQSZACIVSA-N 2 0 287.423 1.659 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000251206940 1159781282 /nfs/dbraw/zinc/78/12/82/1159781282.db2.gz LPUDYFXVGZDQLP-BARDWOONSA-N 2 0 281.444 1.754 10 0 CDAERP CC(C)C[C@@H](C[NH2+]C(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001271310941 1160320759 /nfs/dbraw/zinc/32/07/59/1160320759.db2.gz FTZWUHHEBGQUHO-KBPBESRZSA-N 2 0 269.433 1.467 10 0 CDAERP CN(CCC[NH2+]CCC(C)(C)C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001733144207 1161913880 /nfs/dbraw/zinc/91/38/80/1161913880.db2.gz SEZCKZHGOCPQCX-CQSZACIVSA-N 2 0 283.460 1.812 10 0 CDAERP Cc1c(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)ccc2c[nH+]cn21 ZINC001771767263 1164275385 /nfs/dbraw/zinc/27/53/85/1164275385.db2.gz QXEOTFIBBJUPAN-XBXGTLAGSA-N 2 0 286.379 1.713 10 0 CDAERP C[NH+](C)CCc1cccc(C(=O)NCC[NH+]2CC=CC2)c1 ZINC001628511728 1166079248 /nfs/dbraw/zinc/07/92/48/1166079248.db2.gz UDRXCZGGPDJIPG-UHFFFAOYSA-N 2 0 287.407 1.392 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC001643793756 1167270376 /nfs/dbraw/zinc/27/03/76/1167270376.db2.gz FZYMRYXLYPQGMN-MGPQQGTHSA-N 2 0 267.417 1.127 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001565610519 1168158558 /nfs/dbraw/zinc/15/85/58/1168158558.db2.gz YZALRBQWPJVHOI-RDBSUJKOSA-N 2 0 269.433 1.563 10 0 CDAERP C[NH+](C)C1(CNC(=O)N2CCC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC001646944919 1168278055 /nfs/dbraw/zinc/27/80/55/1168278055.db2.gz SNWRJMNAFZWVPA-UHFFFAOYSA-N 2 0 296.459 1.643 10 0 CDAERP CCC[N@H+](C)CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001566461018 1168286545 /nfs/dbraw/zinc/28/65/45/1168286545.db2.gz KWJPILBQMPCVNP-UHFFFAOYSA-N 2 0 255.406 1.319 10 0 CDAERP CC[NH+](CC)CC[C@H](C)NC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC001647011857 1168347029 /nfs/dbraw/zinc/34/70/29/1168347029.db2.gz GUGVQVJPQZGJCJ-GOEBONIOSA-N 2 0 299.459 1.070 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@@H+](CCCCCF)C1 ZINC001567419519 1168745501 /nfs/dbraw/zinc/74/55/01/1168745501.db2.gz PGPNQAWCWVLZNW-OAHLLOKOSA-N 2 0 299.434 1.660 10 0 CDAERP CCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001649858255 1169440679 /nfs/dbraw/zinc/44/06/79/1169440679.db2.gz SEWKHQZGQNHXCA-RDJZCZTQSA-N 2 0 293.455 1.853 10 0 CDAERP Cc1cc(C[NH2+]CC[C@@H](C)NC(=O)C[NH+]2CCCC2)on1 ZINC001568710536 1169441656 /nfs/dbraw/zinc/44/16/56/1169441656.db2.gz NPRTUPMGTQCIMT-GFCCVEGCSA-N 2 0 294.399 1.063 10 0 CDAERP CC[NH+](CC)C1CCN(C(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC001649881991 1169463986 /nfs/dbraw/zinc/46/39/86/1169463986.db2.gz WKHQZQZKVNLOMR-OAHLLOKOSA-N 2 0 298.475 1.876 10 0 CDAERP C[NH+]1CCC(CC(=O)NC/C=C/C[NH2+]CC2CCC2)CC1 ZINC001568930761 1169553889 /nfs/dbraw/zinc/55/38/89/1169553889.db2.gz NYOSZSGIHSNCNK-NSCUHMNNSA-N 2 0 293.455 1.780 10 0 CDAERP CC(C)CCC[NH2+]C/C=C/CNC(=O)C12CC[NH+](CC1)C2 ZINC001568950239 1169560875 /nfs/dbraw/zinc/56/08/75/1169560875.db2.gz IDNGUQLCJNBMPH-ONEGZZNKSA-N 2 0 293.455 1.780 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@H](C[NH2+]C/C=C\Cl)C2CC2)CC1 ZINC001569317447 1169762061 /nfs/dbraw/zinc/76/20/61/1169762061.db2.gz YVEJVEBMMBNUQW-UJYKQDJBSA-N 2 0 299.846 1.565 10 0 CDAERP CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001569854520 1170018815 /nfs/dbraw/zinc/01/88/15/1170018815.db2.gz CPRPNQOLJIBVOT-QWHCGFSZSA-N 2 0 255.406 1.031 10 0 CDAERP CCC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H]1C ZINC001571465613 1170441426 /nfs/dbraw/zinc/44/14/26/1170441426.db2.gz IAYLHCRHNYJPBG-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP C[NH+]1CCC(CC(=O)NC/C=C\C[NH2+]CC2CC2)CC1 ZINC001669074773 1173502589 /nfs/dbraw/zinc/50/25/89/1173502589.db2.gz DIVKCKCRGSHJBV-IHWYPQMZSA-N 2 0 279.428 1.390 10 0 CDAERP CC(C)=CC[NH2+]C[C@@]1(C)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001671809553 1173712566 /nfs/dbraw/zinc/71/25/66/1173712566.db2.gz GAULCUMHRZWEDD-QGZVFWFLSA-N 2 0 293.455 1.877 10 0 CDAERP CC(C)C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001676679684 1174254498 /nfs/dbraw/zinc/25/44/98/1174254498.db2.gz CSBOEWMZAOCIFD-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1C[N@H+](C)CC1(C)C ZINC001597314958 1174265257 /nfs/dbraw/zinc/26/52/57/1174265257.db2.gz VSQXEQMKGFGDOM-VXGBXAGGSA-N 2 0 269.433 1.610 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCCF)C2)C1 ZINC001691916675 1175651472 /nfs/dbraw/zinc/65/14/72/1175651472.db2.gz AXRBMLDCDFSVHB-QLFBSQMISA-N 2 0 299.434 1.562 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC2CC2)[C@@H]1C ZINC001692236837 1175710034 /nfs/dbraw/zinc/71/00/34/1175710034.db2.gz QVKHPSSNTIQQMH-OCCSQVGLSA-N 2 0 267.417 1.316 10 0 CDAERP CC[N@H+](C)CCN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001698989270 1176018604 /nfs/dbraw/zinc/01/86/04/1176018604.db2.gz SPPSZYBNPMVMJH-CYBMUJFWSA-N 2 0 255.406 1.271 10 0 CDAERP CCCC[NH2+]CC[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001699145948 1176112180 /nfs/dbraw/zinc/11/21/80/1176112180.db2.gz GBMXJCUOOMOTBU-ZIAGYGMSSA-N 2 0 269.433 1.613 10 0 CDAERP C[C@@H](C[NH2+]CCCF)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001699432998 1176394181 /nfs/dbraw/zinc/39/41/81/1176394181.db2.gz IVROQSFWDMWISS-ZDUSSCGKSA-N 2 0 295.402 1.816 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@@H](NC(=O)Cc1c[nH]cn1)C1CC1 ZINC001699588025 1176487251 /nfs/dbraw/zinc/48/72/51/1176487251.db2.gz IMMPEUAHGSDTKS-ZWNOBZJWSA-N 2 0 282.363 1.185 10 0 CDAERP CCC[NH2+]CC[C@@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001700088850 1176744965 /nfs/dbraw/zinc/74/49/65/1176744965.db2.gz VKDXDLAZAPJHKT-CQSZACIVSA-N 2 0 269.433 1.566 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCOCC)[C@H](C)C1 ZINC001700320540 1176849953 /nfs/dbraw/zinc/84/99/53/1176849953.db2.gz OWFOQTUKCLBLNH-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)=CC[N@@H+](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001700695396 1177078883 /nfs/dbraw/zinc/07/88/83/1177078883.db2.gz GUIFLDJMTWTOAJ-UHFFFAOYSA-N 2 0 281.444 1.827 10 0 CDAERP CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](CC)[NH+](CC)CC ZINC001700769683 1177123840 /nfs/dbraw/zinc/12/38/40/1177123840.db2.gz DHLYZFNBUAAPCB-QWHCGFSZSA-N 2 0 257.422 1.563 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CC ZINC001707377850 1178003351 /nfs/dbraw/zinc/00/33/51/1178003351.db2.gz LKLZHKJRBHGMFA-ZDUSSCGKSA-N 2 0 255.406 1.319 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]CCCO ZINC001707435003 1178041595 /nfs/dbraw/zinc/04/15/95/1178041595.db2.gz MVFVQBVYECCBMM-GJZGRUSLSA-N 2 0 299.459 1.068 10 0 CDAERP COCC[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC000155756150 1178166210 /nfs/dbraw/zinc/16/62/10/1178166210.db2.gz KDNVJHKKXJWADJ-HNNXBMFYSA-N 2 0 299.459 1.334 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@H]2CCC[C@@H]([NH2+]CCCF)C2)CCC1 ZINC001713375448 1178527370 /nfs/dbraw/zinc/52/73/70/1178527370.db2.gz QGGAKRDONVEXTM-KGLIPLIRSA-N 2 0 299.434 1.847 10 0 CDAERP CN(CC[NH2+]C/C=C\Cl)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001713643244 1178693819 /nfs/dbraw/zinc/69/38/19/1178693819.db2.gz FHBDHFGKGMCCOI-GHGQEBASSA-N 2 0 299.846 1.804 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]CCCF)C1CC1 ZINC001713886351 1178817535 /nfs/dbraw/zinc/81/75/35/1178817535.db2.gz UXECAHIKRWCBAI-CABCVRRESA-N 2 0 299.434 1.705 10 0 CDAERP CCC[N@H+](C)CC(=O)NCC1C[NH+](C[C@@H](C)CC)C1 ZINC001713924035 1178851739 /nfs/dbraw/zinc/85/17/39/1178851739.db2.gz XREKWKCZSPFFCK-ZDUSSCGKSA-N 2 0 269.433 1.422 10 0 CDAERP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CC1CC(C)C1 ZINC001714097432 1178971202 /nfs/dbraw/zinc/97/12/02/1178971202.db2.gz HMRILJKNTHEBPK-JXQTWKCFSA-N 2 0 269.433 1.469 10 0 CDAERP CC(C)=CC[NH2+]C[C@](C)(NC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001714159976 1178995828 /nfs/dbraw/zinc/99/58/28/1178995828.db2.gz OGKQXIANAXCMBN-RDJZCZTQSA-N 2 0 293.455 1.921 10 0 CDAERP COCCC[N@H+](C)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001714445908 1179143657 /nfs/dbraw/zinc/14/36/57/1179143657.db2.gz NLASKFWEHCHWAS-HNNXBMFYSA-N 2 0 299.459 1.288 10 0 CDAERP CN(CC[NH2+]Cc1ccccc1)C(=O)C[N@H+](C)C1CCC1 ZINC001714717568 1179354813 /nfs/dbraw/zinc/35/48/13/1179354813.db2.gz VRFSRVVLTWLTJW-UHFFFAOYSA-N 2 0 289.423 1.719 10 0 CDAERP CN(CC[NH2+]CCC1CC1)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001714768353 1179386247 /nfs/dbraw/zinc/38/62/47/1179386247.db2.gz SCOJTSAJACBUHD-JKSUJKDBSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@H](Cc1c[nH]cn1)C(=O)N(C)CC[NH2+]CC1CC1 ZINC001714767097 1179386980 /nfs/dbraw/zinc/38/69/80/1179386980.db2.gz IITOPFNBPFUYNA-LLVKDONJSA-N 2 0 264.373 1.046 10 0 CDAERP CCC/C=C/CC[NH2+]CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001714787667 1179398168 /nfs/dbraw/zinc/39/81/68/1179398168.db2.gz WNCVRYCUYRSXHL-AATRIKPKSA-N 2 0 293.455 1.877 10 0 CDAERP CC(C)OCC[NH2+]CCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001714796998 1179402740 /nfs/dbraw/zinc/40/27/40/1179402740.db2.gz JHANWNNRRBKRLN-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N[C@](C)(C[NH2+]CCCF)C2CC2)C1 ZINC001715115743 1179557016 /nfs/dbraw/zinc/55/70/16/1179557016.db2.gz HLOCKNUGEGMBRT-XJKSGUPXSA-N 2 0 299.434 1.562 10 0 CDAERP C[C@H](C[NH2+]CC=C(Cl)Cl)N(C)C(=O)CC[NH+](C)C ZINC001715359422 1179641815 /nfs/dbraw/zinc/64/18/15/1179641815.db2.gz YBMAJXBQGOTHFU-SNVBAGLBSA-N 2 0 296.242 1.694 10 0 CDAERP C[C@H](C[NH2+]CCC1CC1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001715372089 1179646893 /nfs/dbraw/zinc/64/68/93/1179646893.db2.gz MFFQKMDMLNJLKM-CYBMUJFWSA-N 2 0 279.428 1.319 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]CCOC)C(C)C ZINC001715508456 1179688141 /nfs/dbraw/zinc/68/81/41/1179688141.db2.gz VLKISYMUZOVCDC-HUUCEWRRSA-N 2 0 299.459 1.238 10 0 CDAERP CC(C)OCCC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001715777470 1179802381 /nfs/dbraw/zinc/80/23/81/1179802381.db2.gz BCETZCQQLDPOLI-HNNXBMFYSA-N 2 0 299.459 1.286 10 0 CDAERP CC(C)CC[NH2+]C/C=C\CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001715817379 1179841849 /nfs/dbraw/zinc/84/18/49/1179841849.db2.gz KWNOBXDWAMMLNX-QGZUEGPWSA-N 2 0 293.455 1.636 10 0 CDAERP CC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001715830538 1179854011 /nfs/dbraw/zinc/85/40/11/1179854011.db2.gz BDLMJJOEDXTMLG-WEHDMVHDSA-N 2 0 265.401 1.285 10 0 CDAERP CO[C@@H](C)C[NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001715854954 1179872198 /nfs/dbraw/zinc/87/21/98/1179872198.db2.gz SKIVWNOAWQDKCE-GXMNPTEKSA-N 2 0 297.443 1.158 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]C/C=C/Cl ZINC001715977259 1179958307 /nfs/dbraw/zinc/95/83/07/1179958307.db2.gz CUJINPPLQNPUHV-YTDWTQRBSA-N 2 0 287.835 1.708 10 0 CDAERP CCCC[NH2+]C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001715994837 1179970592 /nfs/dbraw/zinc/97/05/92/1179970592.db2.gz GILXVJZDSHWQOZ-ZDUSSCGKSA-N 2 0 271.449 1.859 10 0 CDAERP CCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001716138405 1180068862 /nfs/dbraw/zinc/06/88/62/1180068862.db2.gz DWWQSGPPXWNAEG-ZIAGYGMSSA-N 2 0 269.433 1.754 10 0 CDAERP CCN(CC[NH2+]C[C@@H](C)O)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001716216963 1180106957 /nfs/dbraw/zinc/10/69/57/1180106957.db2.gz IMHCXLJYHKJARN-CQSZACIVSA-N 2 0 299.459 1.070 10 0 CDAERP CC[C@@H](F)C[NH2+]C/C=C/CNC(=O)CC1CC[NH+](C)CC1 ZINC001716352297 1180165362 /nfs/dbraw/zinc/16/53/62/1180165362.db2.gz OYHYPWGXKGPEML-MBVDDHJVSA-N 2 0 299.434 1.728 10 0 CDAERP CC(C)[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001716368098 1180170107 /nfs/dbraw/zinc/17/01/07/1180170107.db2.gz NVRGJYAHAQXJSR-MUHKLVGJSA-N 2 0 281.444 1.777 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001716480209 1180243483 /nfs/dbraw/zinc/24/34/83/1180243483.db2.gz PAADGOBTESZPDO-RBSFLKMASA-N 2 0 281.444 1.729 10 0 CDAERP CC1CC(C[NH2+]CCCN(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001716579449 1180293267 /nfs/dbraw/zinc/29/32/67/1180293267.db2.gz RSTFKZXQUNURKM-UHFFFAOYSA-N 2 0 293.455 1.566 10 0 CDAERP CC(C)OCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001716686024 1180369824 /nfs/dbraw/zinc/36/98/24/1180369824.db2.gz UVPTZCOXRTUDOV-CQSZACIVSA-N 2 0 297.443 1.134 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@@H]([C@H](C)[NH2+]CCCF)C1 ZINC001716973408 1180487238 /nfs/dbraw/zinc/48/72/38/1180487238.db2.gz MKOQFWXWEYSOOZ-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP CCC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001717651614 1180774872 /nfs/dbraw/zinc/77/48/72/1180774872.db2.gz KISIQHKFIBLNQX-JOCQHMNTSA-N 2 0 255.406 1.223 10 0 CDAERP CCC[NH2+]CCC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001717691675 1180791724 /nfs/dbraw/zinc/79/17/24/1180791724.db2.gz HBCLXTVGPNPNRA-CYBMUJFWSA-N 2 0 267.417 1.367 10 0 CDAERP CC[C@@H](F)C[NH2+]CCC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001717692027 1180792490 /nfs/dbraw/zinc/79/24/90/1180792490.db2.gz OJLHMDCAKVWVJO-UONOGXRCSA-N 2 0 299.434 1.705 10 0 CDAERP C[C@H]1C[C@H]([NH2+]CC2CCC2)CN1C(=O)CC[NH+](C)C ZINC001717821722 1180878231 /nfs/dbraw/zinc/87/82/31/1180878231.db2.gz JEUFQZBCVNYSMM-JSGCOSHPSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N(C)CCC[NH2+]CCF)CC[N@@H+]1C ZINC001723102713 1181517831 /nfs/dbraw/zinc/51/78/31/1181517831.db2.gz JEYIXGHWTXSJGZ-STQMWFEESA-N 2 0 273.396 1.124 10 0 CDAERP CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001723872267 1181613894 /nfs/dbraw/zinc/61/38/94/1181613894.db2.gz DOWDBKMTTMBMFY-KGLIPLIRSA-N 2 0 269.433 1.707 10 0 CDAERP C[C@]1(C[NH2+]CCC2CC2)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001724266468 1181659252 /nfs/dbraw/zinc/65/92/52/1181659252.db2.gz FSQWVYOOGNIQJB-QGZVFWFLSA-N 2 0 293.455 1.711 10 0 CDAERP C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C[NH2+]CCF ZINC001724588498 1181699736 /nfs/dbraw/zinc/69/97/36/1181699736.db2.gz UVOVXCDGGZWYIE-STQMWFEESA-N 2 0 285.407 1.124 10 0 CDAERP CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001724654078 1181716605 /nfs/dbraw/zinc/71/66/05/1181716605.db2.gz IXZLTINYKCFFHX-KGLIPLIRSA-N 2 0 267.417 1.413 10 0 CDAERP CCC[NH2+][C@H](C)[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001725132289 1181877944 /nfs/dbraw/zinc/87/79/44/1181877944.db2.gz WCMIPIPZJRBIDK-ZIAGYGMSSA-N 2 0 269.433 1.755 10 0 CDAERP CC[N@H+](C)[C@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001725174264 1181905337 /nfs/dbraw/zinc/90/53/37/1181905337.db2.gz SVSNCKDWLDVQHP-CHWSQXEVSA-N 2 0 255.406 1.317 10 0 CDAERP CCCCC[NH+]1CC([C@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001725264734 1181943989 /nfs/dbraw/zinc/94/39/89/1181943989.db2.gz LQQHPIRFENNUNM-GJZGRUSLSA-N 2 0 295.471 1.955 10 0 CDAERP COCC[N@H+](C)C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001725428127 1181998184 /nfs/dbraw/zinc/99/81/84/1181998184.db2.gz YGROKYFBDREKBL-UHFFFAOYSA-N 2 0 299.459 1.288 10 0 CDAERP C[C@@H](CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC1CC1 ZINC001725501841 1182027248 /nfs/dbraw/zinc/02/72/48/1182027248.db2.gz BTEBJXUJFJZVDF-STQMWFEESA-N 2 0 267.417 1.175 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)C[C@@H](C)OC)CC[N@@H+]1C ZINC001731241208 1182272026 /nfs/dbraw/zinc/27/20/26/1182272026.db2.gz HBYVELLMTOWZBQ-QLFBSQMISA-N 2 0 299.459 1.190 10 0 CDAERP COC[C@@H](C)[N@H+](C)CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001731269752 1182287259 /nfs/dbraw/zinc/28/72/59/1182287259.db2.gz IOECNLZGJJSLAN-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP C[N@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)CC1CCC1 ZINC001731277126 1182291488 /nfs/dbraw/zinc/29/14/88/1182291488.db2.gz BQCVCHHWGIBFLD-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP CC[NH2+][C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001731396454 1182360138 /nfs/dbraw/zinc/36/01/38/1182360138.db2.gz LUBQYBQRSWMTDB-ZIAGYGMSSA-N 2 0 267.417 1.365 10 0 CDAERP CCCCC[NH2+]C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001731524459 1182434236 /nfs/dbraw/zinc/43/42/36/1182434236.db2.gz KLILCDXVIHFZPE-OAHLLOKOSA-N 2 0 283.460 1.957 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H](C[NH2+]CCCF)C2)C1 ZINC001731532073 1182437146 /nfs/dbraw/zinc/43/71/46/1182437146.db2.gz SFHZSXBUPWULJU-GJZGRUSLSA-N 2 0 299.434 1.516 10 0 CDAERP CC[C@@H](C(=O)NC[C@H](C)[NH2+]CCC1CC1)[NH+](C)C ZINC001731633867 1182492752 /nfs/dbraw/zinc/49/27/52/1182492752.db2.gz OHMGXYZKGMGMQX-AAEUAGOBSA-N 2 0 255.406 1.221 10 0 CDAERP CN(CC[NH2+]CCCCCF)C(=O)[C@H]1CCC[N@@H+]1C ZINC001731898005 1182663916 /nfs/dbraw/zinc/66/39/16/1182663916.db2.gz IHLSGEQIUASITO-CYBMUJFWSA-N 2 0 273.396 1.268 10 0 CDAERP CN(CC[NH2+]CCCC1CCC1)C(=O)C1CC[NH+](C)CC1 ZINC001731950291 1182694027 /nfs/dbraw/zinc/69/40/27/1182694027.db2.gz UPVVJYCMCMWIHC-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CCOCC[N@@H+]1CC[C@@H](N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001732164554 1182824579 /nfs/dbraw/zinc/82/45/79/1182824579.db2.gz DNBCGPJFAFNEJQ-CQSZACIVSA-N 2 0 297.443 1.040 10 0 CDAERP CCN(CC[NH2+]CC1CCC1)C(=O)C[N@H+](C)C(C)C ZINC001732813231 1183134283 /nfs/dbraw/zinc/13/42/83/1183134283.db2.gz WNABOOYZBFXMJK-UHFFFAOYSA-N 2 0 269.433 1.565 10 0 CDAERP CCN(CC[NH2+]CC1CC(C)C1)C(=O)C[N@H+](C)C(C)C ZINC001732811730 1183134721 /nfs/dbraw/zinc/13/47/21/1183134721.db2.gz GJPWZFVDCQVYDC-UHFFFAOYSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+]C/C=C/Cl)CC[N@@H+]1C ZINC001732853062 1183159198 /nfs/dbraw/zinc/15/91/98/1183159198.db2.gz OWVIGFAYKCMOCR-VZZJWIRJSA-N 2 0 285.819 1.341 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC/C=C/C[NH2+]CC(C)C)CC[N@@H+]1C ZINC001732853915 1183159511 /nfs/dbraw/zinc/15/95/11/1183159511.db2.gz VBOSMGMBLTZEHG-MFHOCJEASA-N 2 0 281.444 1.635 10 0 CDAERP CCC[NH2+]C/C=C\CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001732875425 1183167785 /nfs/dbraw/zinc/16/77/85/1183167785.db2.gz BMDVGPVHKBYGRW-ARJAWSKDSA-N 2 0 299.378 1.553 10 0 CDAERP CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001732908413 1183181342 /nfs/dbraw/zinc/18/13/42/1183181342.db2.gz MFBIWUVDGWVTKX-XHPSBEMXSA-N 2 0 281.444 1.921 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]C/C=C\Cl ZINC001732956212 1183203642 /nfs/dbraw/zinc/20/36/42/1183203642.db2.gz CUJINPPLQNPUHV-XHSUHYBKSA-N 2 0 287.835 1.708 10 0 CDAERP CC[NH2+]CCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001733111018 1183293679 /nfs/dbraw/zinc/29/36/79/1183293679.db2.gz SZJYCJGJURZPFU-UHFFFAOYSA-N 2 0 253.390 1.073 10 0 CDAERP C[C@@H](O)C[NH2+]CCCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001733130892 1183301357 /nfs/dbraw/zinc/30/13/57/1183301357.db2.gz JSFHZNNREVFJJW-CABCVRRESA-N 2 0 299.459 1.070 10 0 CDAERP C[C@H](C(=O)N(C)CCC[NH2+]C[C@H](C)O)[NH+]1CCCCCC1 ZINC001733130895 1183301672 /nfs/dbraw/zinc/30/16/72/1183301672.db2.gz JSFHZNNREVFJJW-LSDHHAIUSA-N 2 0 299.459 1.070 10 0 CDAERP CC[NH2+]CCCN(C)C(=O)[C@H](C)Cc1c[nH]cn1 ZINC001733131950 1183301768 /nfs/dbraw/zinc/30/17/68/1183301768.db2.gz WIYGZEKIJPYQNE-LLVKDONJSA-N 2 0 252.362 1.046 10 0 CDAERP CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001733676144 1183496030 /nfs/dbraw/zinc/49/60/30/1183496030.db2.gz GYRPWZIFAQYKIN-KGLIPLIRSA-N 2 0 267.417 1.176 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC1CCC1 ZINC001734003543 1183611192 /nfs/dbraw/zinc/61/11/92/1183611192.db2.gz SVMIAMAITDHQCQ-OLZOCXBDSA-N 2 0 269.433 1.611 10 0 CDAERP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@@H](C[NH2+]CCCF)C1CC1 ZINC001734309806 1183722299 /nfs/dbraw/zinc/72/22/99/1183722299.db2.gz DSBIKPKSVZSIPO-ZFWWWQNUSA-N 2 0 299.434 1.514 10 0 CDAERP CCCCC[NH2+][C@H](C)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001734351784 1183744274 /nfs/dbraw/zinc/74/42/74/1183744274.db2.gz UAULXVXUHGSNMO-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[NH2+]CCOCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001734613827 1183845118 /nfs/dbraw/zinc/84/51/18/1183845118.db2.gz BJMUIBYHPWDZGG-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP C[NH+]1CCC(CC[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000405342928 1186571617 /nfs/dbraw/zinc/57/16/17/1186571617.db2.gz JEGVGVZFPDBHFY-KGLIPLIRSA-N 3 0 251.418 1.578 10 0 CDAERP C[NH+](C)CC1CC[NH+](CC2CCC(O)CC2)CC1 ZINC000311150316 1186681570 /nfs/dbraw/zinc/68/15/70/1186681570.db2.gz VRSBPWLFMQHCPE-UHFFFAOYSA-N 2 0 254.418 1.811 10 0 CDAERP C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1C1CCCC1 ZINC001772468628 1187246491 /nfs/dbraw/zinc/24/64/91/1187246491.db2.gz PTEVFJSGSCZKQS-AWEZNQCLSA-N 2 0 293.455 1.804 10 0 CDAERP CCC[NH+]1CCN(C(=O)[C@H](C)CC[NH+](C)C)CC1 ZINC001143746497 1164243489 /nfs/dbraw/zinc/24/34/89/1164243489.db2.gz FANNMJXMBMXMJZ-CYBMUJFWSA-N 2 0 255.406 1.128 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000344184064 1164339590 /nfs/dbraw/zinc/33/95/90/1164339590.db2.gz UDEKQQOXLZJLRQ-ILXRZTDVSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CCN([C@H](C(N)=O)c2ccccc2)C1 ZINC000866703878 1164811653 /nfs/dbraw/zinc/81/16/53/1164811653.db2.gz LOTJXIWGYAHZNJ-YOEHRIQHSA-N 2 0 289.423 1.910 10 0 CDAERP C[C@@H]1CC[C@H](C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000870021574 1165132952 /nfs/dbraw/zinc/13/29/52/1165132952.db2.gz IGHXJLPKIUKQBJ-QKPAOTATSA-N 2 0 295.471 1.620 10 0 CDAERP C[NH+](C)C[C@@H]1CN(C(=O)CCC2CCC2)C[C@H]1C[NH+](C)C ZINC000870021027 1165133553 /nfs/dbraw/zinc/13/35/53/1165133553.db2.gz YXALNYGHXGALRZ-HZPDHXFCSA-N 2 0 295.471 1.765 10 0 CDAERP CC/C=C(/C)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870023237 1165133701 /nfs/dbraw/zinc/13/37/01/1165133701.db2.gz PNCIMPMUYLLTKQ-CDWBCPPQSA-N 2 0 281.444 1.541 10 0 CDAERP CC[C@@H](C)[C@@H](C)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870021554 1165133771 /nfs/dbraw/zinc/13/37/71/1165133771.db2.gz HJNACDPGYZQOSA-KLHDSHLOSA-N 2 0 297.487 1.866 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)OC(=O)C1CC[NH+](C2CC2)CC1 ZINC000870567918 1165189758 /nfs/dbraw/zinc/18/97/58/1165189758.db2.gz UPEHCRVALBDOPL-HNNXBMFYSA-N 2 0 282.428 1.990 10 0 CDAERP CC[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@@H]1CCCOC1 ZINC000872037069 1165373825 /nfs/dbraw/zinc/37/38/25/1165373825.db2.gz AIKYKWWBRULJFS-ZIAGYGMSSA-N 2 0 270.417 1.238 10 0 CDAERP Cc1csc([C@H]2CC[N@H+](CCOCC[NH3+])C2)n1 ZINC000872148203 1165385048 /nfs/dbraw/zinc/38/50/48/1165385048.db2.gz OCEMSKUHWNTUES-NSHDSACASA-N 2 0 255.387 1.216 10 0 CDAERP CC1(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CCC1 ZINC000872256938 1165404419 /nfs/dbraw/zinc/40/44/19/1165404419.db2.gz GHMYESCXPPSRKP-UPJWGTAASA-N 2 0 279.384 1.044 10 0 CDAERP CN(C[C@H](O)C[N@@H+]1CCC[C@H](OC2CCC2)CC1)C1CC1 ZINC000872282660 1165409366 /nfs/dbraw/zinc/40/93/66/1165409366.db2.gz QITOURDFPBROCT-RDJZCZTQSA-N 2 0 296.455 1.865 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000872281322 1165409900 /nfs/dbraw/zinc/40/99/00/1165409900.db2.gz ZIQMETNNUVTKMM-DSJMHWKBSA-N 2 0 277.412 1.201 10 0 CDAERP Cc1cc(C)nc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC000866012072 796493165 /nfs/dbraw/zinc/49/31/65/796493165.db2.gz PINWQLQICIOXLY-HUUCEWRRSA-N 2 0 291.443 1.269 10 0 CDAERP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000718382433 796569548 /nfs/dbraw/zinc/56/95/48/796569548.db2.gz NBMRMUQGZFZRBW-OWCLPIDISA-N 2 0 284.444 1.771 10 0 CDAERP C[C@@H]([NH3+])C1CC[NH+](C[C@H](O)CC2CCCC2)CC1 ZINC000232121592 796578719 /nfs/dbraw/zinc/57/87/19/796578719.db2.gz NYLFDVLMVZTSED-IUODEOHRSA-N 2 0 254.418 1.987 10 0 CDAERP [NH3+][C@H]1C[C@@H]([NH2+]CCOC2CCOCC2)C12CCC2 ZINC000925878586 796608517 /nfs/dbraw/zinc/60/85/17/796608517.db2.gz XIUYZKVXEZOTGM-QWHCGFSZSA-N 2 0 254.374 1.042 10 0 CDAERP Cn1c(C[N@H+](C)CC2CC[NH+](C)CC2)cnc1Cl ZINC000848886324 796613223 /nfs/dbraw/zinc/61/32/23/796613223.db2.gz SBDHKJSALAGHJY-UHFFFAOYSA-N 2 0 270.808 1.847 10 0 CDAERP Cn1nccc1CC[NH2+][C@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000796938255 796616548 /nfs/dbraw/zinc/61/65/48/796616548.db2.gz MMKNZSGAURLKCZ-KKUMJFAQSA-N 2 0 262.401 1.425 10 0 CDAERP COC[C@H](C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)C(C)C ZINC000721963298 796676611 /nfs/dbraw/zinc/67/66/11/796676611.db2.gz RZKXVCKKKMNBGT-AJNGGQMLSA-N 2 0 254.418 1.964 10 0 CDAERP NC(=O)C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCC1 ZINC000923305281 796712897 /nfs/dbraw/zinc/71/28/97/796712897.db2.gz WXCQRBIUUKPGMI-AGUYFDCRSA-N 2 0 279.428 1.637 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000925543545 796797558 /nfs/dbraw/zinc/79/75/58/796797558.db2.gz VQDWMRBCNGDFMC-SEZBRQKHSA-N 2 0 260.385 1.197 10 0 CDAERP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NCCC[NH+]1CCCCC1 ZINC000713009125 796844998 /nfs/dbraw/zinc/84/49/98/796844998.db2.gz NSQQUUJCWFGZLP-CQSZACIVSA-N 2 0 283.460 1.988 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)NCc2ccccc2F)CC[C@H]1C[NH3+] ZINC000923499692 796862408 /nfs/dbraw/zinc/86/24/08/796862408.db2.gz NKDKEHSYPKGQEN-OLZOCXBDSA-N 2 0 293.386 1.359 10 0 CDAERP C[C@H]1C[C@H]1NC(=[NH2+])NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000864461509 796879983 /nfs/dbraw/zinc/87/99/83/796879983.db2.gz DSLKZPKTGVIJBR-SWLSCSKDSA-N 2 0 287.411 1.820 10 0 CDAERP CC(C)[N@H+](CC1CCC1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923377817 796881531 /nfs/dbraw/zinc/88/15/31/796881531.db2.gz XWWIZAXEPCKDBH-CQSZACIVSA-N 2 0 252.402 1.875 10 0 CDAERP Cc1cc([C@@H]([NH3+])CC(=O)NCC[NH2+]C2CC2)cc(Cl)n1 ZINC000841847785 796884339 /nfs/dbraw/zinc/88/43/39/796884339.db2.gz KAGGXLWXZWYWGH-LBPRGKRZSA-N 2 0 296.802 1.302 10 0 CDAERP C[C@H](c1ccccc1Cl)N1CC[NH2+]CC[NH2+]CC1 ZINC000923460125 796920219 /nfs/dbraw/zinc/92/02/19/796920219.db2.gz AACWVABDDKBERS-GFCCVEGCSA-N 2 0 267.804 1.896 10 0 CDAERP CC[NH+]1CCC(C[NH2+]Cc2cn(C)nc2Cl)CC1 ZINC000856768729 797004979 /nfs/dbraw/zinc/00/49/79/797004979.db2.gz AOPDIPHKRYVULD-UHFFFAOYSA-N 2 0 270.808 1.895 10 0 CDAERP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CC[C@]3(CCc4ccccc43)C2)C1 ZINC000923420026 797084415 /nfs/dbraw/zinc/08/44/15/797084415.db2.gz IKMIVOXXLHDSGI-QSPRXWTASA-N 2 0 272.392 1.427 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000852880163 797265004 /nfs/dbraw/zinc/26/50/04/797265004.db2.gz JPUMQWGNTGWXEB-OAHLLOKOSA-N 2 0 277.412 1.144 10 0 CDAERP C[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@H]1CCCCNC1=O ZINC000846217811 797311747 /nfs/dbraw/zinc/31/17/47/797311747.db2.gz CQZAYSFFFIAZSL-INIZCTEOSA-N 2 0 287.407 1.433 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC(=O)N1CCCCCC1 ZINC000924879862 797333751 /nfs/dbraw/zinc/33/37/51/797333751.db2.gz QMAWKNDPCSAANU-FKEKPDDDSA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)[C@H]1COCC[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000926665315 797356296 /nfs/dbraw/zinc/35/62/96/797356296.db2.gz CEIHMOJKLAPBQN-BARDWOONSA-N 2 0 254.418 1.977 10 0 CDAERP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cnc(Cl)n2C)CC1 ZINC000848527841 797400851 /nfs/dbraw/zinc/40/08/51/797400851.db2.gz GBYPKBSOUMFPIV-LBPRGKRZSA-N 2 0 299.850 1.189 10 0 CDAERP CC[C@H]([NH2+]CCOCC[NH2+]C)c1ccc2c(c1)CCO2 ZINC000863543414 797409511 /nfs/dbraw/zinc/40/95/11/797409511.db2.gz OHMJLUBVPSQBSA-HNNXBMFYSA-N 2 0 278.396 1.898 10 0 CDAERP CC1([NH+]2CCC2)CC[NH+](CC2(O)CCSCC2)CC1 ZINC000880475561 797456593 /nfs/dbraw/zinc/45/65/93/797456593.db2.gz WKNNHQCJMOLUEI-UHFFFAOYSA-N 2 0 284.469 1.805 10 0 CDAERP CCCC[C@@H](COC)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925857009 797498941 /nfs/dbraw/zinc/49/89/41/797498941.db2.gz YTUNMAWLHNLBLC-KBPBESRZSA-N 2 0 298.427 1.467 10 0 CDAERP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)[C@H]1C ZINC000925784762 797547973 /nfs/dbraw/zinc/54/79/73/797547973.db2.gz KSXYRTCVPGCJBF-QMVSFRDZSA-N 2 0 268.401 1.409 10 0 CDAERP Cc1c(Cl)c(C[NH2+]C2CCC([NH3+])CC2)nn1C ZINC000843103783 797804427 /nfs/dbraw/zinc/80/44/27/797804427.db2.gz CNUMWBMWROTZTJ-UHFFFAOYSA-N 2 0 256.781 1.741 10 0 CDAERP Cc1csc(C[C@@H]2CC[N@@H+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)C2)n1 ZINC000923552333 797818596 /nfs/dbraw/zinc/81/85/96/797818596.db2.gz WCSKOIANCIXRLV-CYDGBPFRSA-N 2 0 281.425 1.167 10 0 CDAERP C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2)CC[C@@H]1C[NH3+] ZINC000923495372 797840867 /nfs/dbraw/zinc/84/08/67/797840867.db2.gz BGSFQULRBGMWHE-UONOGXRCSA-N 2 0 275.396 1.932 10 0 CDAERP COC(=O)C1=C(C)O[C@H](C[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)C1 ZINC000778220184 797840974 /nfs/dbraw/zinc/84/09/74/797840974.db2.gz DOFGRFWUURVJPB-YUTCNCBUSA-N 2 0 296.411 1.637 10 0 CDAERP Cc1cc([C@@H]([NH3+])CC(=O)NC[C@@H](C)[NH+](C)C)cc(Cl)n1 ZINC000831871402 797851273 /nfs/dbraw/zinc/85/12/73/797851273.db2.gz XKLWMHGDWSFCAE-PWSUYJOCSA-N 2 0 298.818 1.500 10 0 CDAERP COC[C@H](C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1)C(C)C ZINC000930823051 797864470 /nfs/dbraw/zinc/86/44/70/797864470.db2.gz AXOLOXCYXHYCGJ-HNNXBMFYSA-N 2 0 284.444 1.702 10 0 CDAERP CC(C)O[C@]1(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CCOC1 ZINC000722342993 797865580 /nfs/dbraw/zinc/86/55/80/797865580.db2.gz CCCGTIQTONCADA-KKUMJFAQSA-N 2 0 270.417 1.643 10 0 CDAERP CC[NH+](CC)CC[C@H](CO)NC[C@@H](O)c1ccc(F)cc1 ZINC000843104618 797866912 /nfs/dbraw/zinc/86/69/12/797866912.db2.gz PJPKZBXSDBLVRZ-HZPDHXFCSA-N 2 0 298.402 1.542 10 0 CDAERP C[C@@H]1CN(CC(=O)Nc2ccc(F)cc2F)CC[C@H]1C[NH3+] ZINC000923506536 797879254 /nfs/dbraw/zinc/87/92/54/797879254.db2.gz FYCUBADQPKKWBC-MNOVXSKESA-N 2 0 297.349 1.820 10 0 CDAERP CN(CC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)CC(F)(F)F ZINC000925475400 797883405 /nfs/dbraw/zinc/88/34/05/797883405.db2.gz CLPKRLQKNFBTSC-QWRGUYRKSA-N 2 0 281.366 1.976 10 0 CDAERP CC(C)N1CCC[C@@H]([N@H+](C)CCCCCC[NH3+])C1=O ZINC000872155702 797885964 /nfs/dbraw/zinc/88/59/64/797885964.db2.gz SHVVUZQNJTZBEW-CQSZACIVSA-N 2 0 269.433 1.837 10 0 CDAERP C[N@H+](CCc1ccc(F)cc1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923310404 797888010 /nfs/dbraw/zinc/88/80/10/797888010.db2.gz VDIHLCLOJJIJBC-OAHLLOKOSA-N 2 0 278.371 1.679 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N1CC[NH+](C2CCCC2)CC1 ZINC000852858059 797889728 /nfs/dbraw/zinc/88/97/28/797889728.db2.gz OLVHQFBEKNZHHN-UHFFFAOYSA-N 2 0 277.412 1.383 10 0 CDAERP C[C@H](C[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1)c1nccs1 ZINC000923372379 797895522 /nfs/dbraw/zinc/89/55/22/797895522.db2.gz GQDQSEIXLVJDDZ-NEPJUHHUSA-N 2 0 281.425 1.557 10 0 CDAERP Cc1cnc(CC[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)cn1 ZINC000925686289 797972319 /nfs/dbraw/zinc/97/23/19/797972319.db2.gz STLXLXGGQYSHCG-JSGCOSHPSA-N 2 0 262.401 1.823 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1C[N@H+](C)CC1(C)C)[NH+](CC)CC ZINC001635649894 1166608369 /nfs/dbraw/zinc/60/83/69/1166608369.db2.gz SJEOIJIZOAWJBC-CHWSQXEVSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)[NH2+][C@@H]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001565907222 1168198684 /nfs/dbraw/zinc/19/86/84/1168198684.db2.gz YZZLUJROPAPDID-UONOGXRCSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H](C[NH2+]CCF)C1 ZINC001565978221 1168206640 /nfs/dbraw/zinc/20/66/40/1168206640.db2.gz XJNFTSZPUMJMMC-MCIONIFRSA-N 2 0 285.407 1.124 10 0 CDAERP CC[C@H](F)C[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001566456209 1168283710 /nfs/dbraw/zinc/28/37/10/1168283710.db2.gz CXCHEUKLVQSMCQ-HZSPNIEDSA-N 2 0 287.423 1.513 10 0 CDAERP CC[C@H](C)C[NH2+][C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001567048039 1168531413 /nfs/dbraw/zinc/53/14/13/1168531413.db2.gz NVGYHQDUJSKVMY-STQMWFEESA-N 2 0 269.433 1.469 10 0 CDAERP CCCC[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001567048032 1168531916 /nfs/dbraw/zinc/53/19/16/1168531916.db2.gz NRZUBPNOTLXQRO-IHRRRGAJSA-N 2 0 269.433 1.611 10 0 CDAERP CCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001272474555 913179808 /nfs/dbraw/zinc/17/98/08/913179808.db2.gz HWXKYPKKBJUFQP-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[N@@H+]1CCCC[C@@H]1C(=O)NCC(C)(C)n1ccnc1 ZINC001647424533 1168677064 /nfs/dbraw/zinc/67/70/64/1168677064.db2.gz APPBPNRNJIXBKL-CQSZACIVSA-N 2 0 292.427 1.999 10 0 CDAERP COCCC[N@@H+]1CCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001266468237 894996262 /nfs/dbraw/zinc/99/62/62/894996262.db2.gz MPNQGRHMVDVNRI-CQSZACIVSA-N 2 0 297.443 1.088 10 0 CDAERP CCCC[N@@H+]1CC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001266550708 895324398 /nfs/dbraw/zinc/32/43/98/895324398.db2.gz BTWAXKCGDRNGOP-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP O=C(CCC[NH+]1CCCC1)N1CC[C@H]([NH2+]CCCF)C1 ZINC001266567586 895393032 /nfs/dbraw/zinc/39/30/32/895393032.db2.gz KDIOGCCGMSSAEI-AWEZNQCLSA-N 2 0 285.407 1.413 10 0 CDAERP C[NH+](C)CCOCC[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000234265613 895684200 /nfs/dbraw/zinc/68/42/00/895684200.db2.gz MMOASTYJXQBJMO-AWEZNQCLSA-N 2 0 270.417 1.646 10 0 CDAERP C[C@H]([NH2+][C@@H]1CCCC12CC2)[C@@H]1CN(C)CCN1C ZINC000706953770 895906989 /nfs/dbraw/zinc/90/69/89/895906989.db2.gz BAMZTCSVKHUJPU-MELADBBJSA-N 2 0 251.418 1.543 10 0 CDAERP CCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001266860130 896215767 /nfs/dbraw/zinc/21/57/67/896215767.db2.gz YDNFJPYQRQWDBN-CQSZACIVSA-N 2 0 267.417 1.463 10 0 CDAERP CC(C)(C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)CS(C)(=O)=O ZINC000723882448 896249719 /nfs/dbraw/zinc/24/97/19/896249719.db2.gz JHLOKCIPIXLNMX-JHJVBQTASA-N 2 0 288.457 1.035 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)N2C[C@H](C)C[C@H](C)C2)C[C@H]1CC[NH3+] ZINC000723887096 896251236 /nfs/dbraw/zinc/25/12/36/896251236.db2.gz QKDHLKALQPKZOY-LXTVHRRPSA-N 2 0 281.444 1.408 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)N2CCC(C)CC2)C[C@H]1CC[NH3+] ZINC000723895438 896258893 /nfs/dbraw/zinc/25/88/93/896258893.db2.gz WSYKYUVEDMDBOM-ZIAGYGMSSA-N 2 0 267.417 1.162 10 0 CDAERP C[C@H](C(=O)Nc1ccccc1)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723907871 896263180 /nfs/dbraw/zinc/26/31/80/896263180.db2.gz OKYWPTKMAUOFQY-MGPQQGTHSA-N 2 0 275.396 1.930 10 0 CDAERP O[C@H](C[NH2+][C@H](C1CC1)[C@@H]1CCCOC1)C[NH+]1CCCC1 ZINC000723989951 896322066 /nfs/dbraw/zinc/32/20/66/896322066.db2.gz XVIAWZDSNHFDGK-BZUAXINKSA-N 2 0 282.428 1.238 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NCCC[C@H]2CCC[NH+]2CCF)C1 ZINC001267175033 897009872 /nfs/dbraw/zinc/00/98/72/897009872.db2.gz OCBJNPNDCLDIKP-GJZGRUSLSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001567574159 1168866812 /nfs/dbraw/zinc/86/68/12/1168866812.db2.gz ZAXMFLLBQWGVID-KBPBESRZSA-N 2 0 267.417 1.460 10 0 CDAERP CC[C@@H](C)C[NH2+]CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001567590831 1168875388 /nfs/dbraw/zinc/87/53/88/1168875388.db2.gz MXETYWSPRAJIHL-CYBMUJFWSA-N 2 0 267.417 1.176 10 0 CDAERP CN(CC[NH2+]CCC(F)(F)F)C(=O)C[NH+]1CCCC1 ZINC001267469557 898072116 /nfs/dbraw/zinc/07/21/16/898072116.db2.gz MBRRYTLFLBVECP-UHFFFAOYSA-N 2 0 281.322 1.083 10 0 CDAERP CC[C@@H](C(=O)N1CCC([C@H](C)[NH2+]CCOC)CC1)[NH+](C)C ZINC001267492137 898147506 /nfs/dbraw/zinc/14/75/06/898147506.db2.gz FOYJEYMCPQPUOA-ZFWWWQNUSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@@H](C[NH2+]CC1CCCC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001496230159 898431581 /nfs/dbraw/zinc/43/15/81/898431581.db2.gz RGZLFMSNJXIJLZ-ZFWWWQNUSA-N 2 0 281.444 1.565 10 0 CDAERP CC[N@H+](CCNC(=O)C[NH+]1CCCC1)Cc1ccccn1 ZINC001481016137 898497904 /nfs/dbraw/zinc/49/79/04/898497904.db2.gz CNZRMNBFXCUKCC-UHFFFAOYSA-N 2 0 290.411 1.116 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCCCCF)C1 ZINC001481084632 898768784 /nfs/dbraw/zinc/76/87/84/898768784.db2.gz VHPLUXROWWJNOQ-CABCVRRESA-N 2 0 299.434 1.659 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@@H+](C/C=C\Cl)C1 ZINC001481125003 898938002 /nfs/dbraw/zinc/93/80/02/898938002.db2.gz ZKOSQXVNPGATQW-DXTPNHAXSA-N 2 0 285.819 1.273 10 0 CDAERP CN(CC[NH2+]CC1CC1)C(=O)CCC[NH+]1CCCC1 ZINC001481317418 900371330 /nfs/dbraw/zinc/37/13/30/900371330.db2.gz DUIMGDBDOKVFFD-UHFFFAOYSA-N 2 0 267.417 1.320 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NCC[C@@H]2CC[NH+](CCCF)C2)C1 ZINC001481455578 900726044 /nfs/dbraw/zinc/72/60/44/900726044.db2.gz BEFCZTSHAGHSFK-HUUCEWRRSA-N 2 0 299.434 1.516 10 0 CDAERP CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001268162239 901457569 /nfs/dbraw/zinc/45/75/69/901457569.db2.gz JSNCFPAXUPHDPZ-KGLIPLIRSA-N 2 0 269.433 1.707 10 0 CDAERP CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CC[N@H+](C)CC ZINC001268197387 901553506 /nfs/dbraw/zinc/55/35/06/901553506.db2.gz XOWSKKXGSBPVRA-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)=CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001268227325 901605651 /nfs/dbraw/zinc/60/56/51/901605651.db2.gz SNGHIWLAGSAUQU-HUUCEWRRSA-N 2 0 281.444 1.635 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001481708374 901870562 /nfs/dbraw/zinc/87/05/62/901870562.db2.gz IWVBANJCSSLFGB-CQSZACIVSA-N 2 0 269.433 1.565 10 0 CDAERP Cc1nocc1C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001268348298 901913594 /nfs/dbraw/zinc/91/35/94/901913594.db2.gz GLLUPCYSUPQYFH-FZMZJTMJSA-N 2 0 294.399 1.062 10 0 CDAERP C[C@@H](F)CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001483762024 914640759 /nfs/dbraw/zinc/64/07/59/914640759.db2.gz LAWNMDRPLNUPQZ-RDBSUJKOSA-N 2 0 299.434 1.703 10 0 CDAERP CC[NH2+]C/C=C\CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001268628811 902841776 /nfs/dbraw/zinc/84/17/76/902841776.db2.gz QOULPGMTYGJQGF-QXXLOIIESA-N 2 0 253.390 1.141 10 0 CDAERP COCC[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001268673891 902938397 /nfs/dbraw/zinc/93/83/97/902938397.db2.gz LYMZSBWDVGWZEE-CABCVRRESA-N 2 0 299.459 1.238 10 0 CDAERP CN(CCC[NH2+]Cc1cncs1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001268784473 903130472 /nfs/dbraw/zinc/13/04/72/903130472.db2.gz VCYJVBHYVLDSEO-ZDUSSCGKSA-N 2 0 296.440 1.175 10 0 CDAERP CN(CCC[NH2+]C/C=C\Cl)C(=O)CC[NH+](C)C ZINC001268834772 903170574 /nfs/dbraw/zinc/17/05/74/903170574.db2.gz CZGGYCAGMQGTFZ-DAXSKMNVSA-N 2 0 261.797 1.129 10 0 CDAERP CCCCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001269388697 903769550 /nfs/dbraw/zinc/76/95/50/903769550.db2.gz UXCVKEYYDQMQLA-CYBMUJFWSA-N 2 0 267.417 1.509 10 0 CDAERP CC/C=C\CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001269535418 903903440 /nfs/dbraw/zinc/90/34/40/903903440.db2.gz LHGPZCAWSYLFTA-WSNITJDQSA-N 2 0 279.428 1.533 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001362874456 904120092 /nfs/dbraw/zinc/12/00/92/904120092.db2.gz QEJPGDHVDYMKRO-KFWWJZLASA-N 2 0 281.444 1.707 10 0 CDAERP OCc1c[nH+]ccc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000126503430 904343044 /nfs/dbraw/zinc/34/30/44/904343044.db2.gz WGDRZJUCRWCOED-AWEZNQCLSA-N 2 0 261.369 1.639 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]C/C=C/Cl ZINC001270371776 904568809 /nfs/dbraw/zinc/56/88/09/904568809.db2.gz LPIFPILNWQWRQB-WBIIUDBISA-N 2 0 273.808 1.175 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CCC2CC2)C1 ZINC001270698802 904956021 /nfs/dbraw/zinc/95/60/21/904956021.db2.gz XMTHBNMSQRNACM-RDJZCZTQSA-N 2 0 293.455 1.709 10 0 CDAERP CCC[NH2+]C1(CNC(=O)CC[NH+](C)C)CCCC1 ZINC001270785625 905039733 /nfs/dbraw/zinc/03/97/33/905039733.db2.gz OFVNULJVDZWZOB-UHFFFAOYSA-N 2 0 255.406 1.367 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCF)C1CCCCC1 ZINC001482408220 905311281 /nfs/dbraw/zinc/31/12/81/905311281.db2.gz LFZZRJRAKVUVPV-LSDHHAIUSA-N 2 0 299.434 1.705 10 0 CDAERP CC(C)[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001271660818 906581687 /nfs/dbraw/zinc/58/16/87/906581687.db2.gz VAEKDHPPUXBRHG-OLZOCXBDSA-N 2 0 255.406 1.031 10 0 CDAERP CC(C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC1CCC1 ZINC001482517859 906741142 /nfs/dbraw/zinc/74/11/42/906741142.db2.gz LTDBWXNKARQSGE-CABCVRRESA-N 2 0 281.444 1.611 10 0 CDAERP C[C@@H]1[C@H](NC(=O)NCC2CC[NH+](C3CC3)CC2)CC[N@@H+]1C ZINC000922220628 921380862 /nfs/dbraw/zinc/38/08/62/921380862.db2.gz XZEDCECRQJXNCA-IUODEOHRSA-N 2 0 294.443 1.253 10 0 CDAERP C[C@@H](CC[NH2+]CCC(C)(C)C)NC(=O)CC[NH+](C)C ZINC001482866916 908445911 /nfs/dbraw/zinc/44/59/11/908445911.db2.gz CLWVVHRVFAYTHS-ZDUSSCGKSA-N 2 0 271.449 1.859 10 0 CDAERP CCN(CC[NH2+]CC(C)C)C(=O)C12CCC[NH+]1CCC2 ZINC001482933579 908501488 /nfs/dbraw/zinc/50/14/88/908501488.db2.gz DMIYQKSRCMWURZ-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000713044634 909601011 /nfs/dbraw/zinc/60/10/11/909601011.db2.gz REAOGZBSEISKGD-VXGBXAGGSA-N 2 0 255.406 1.064 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000713012497 909601846 /nfs/dbraw/zinc/60/18/46/909601846.db2.gz BTVQPLBVXRBOED-YPMHNXCESA-N 2 0 269.433 1.595 10 0 CDAERP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N1CCC([NH+](C)C)CC1 ZINC000713060773 909605795 /nfs/dbraw/zinc/60/57/95/909605795.db2.gz RILURMMINVWNOM-CYBMUJFWSA-N 2 0 269.433 1.549 10 0 CDAERP CCN(CC)C(=O)[C@@H](C)[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714485975 909746034 /nfs/dbraw/zinc/74/60/34/909746034.db2.gz LJEAAKXTWWEFQS-CYBMUJFWSA-N 2 0 283.460 1.940 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001483185466 909928220 /nfs/dbraw/zinc/92/82/20/909928220.db2.gz LOJQPNCFJUUYCK-KGLIPLIRSA-N 2 0 299.459 1.238 10 0 CDAERP Cc1ncccc1C[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001483197724 909959126 /nfs/dbraw/zinc/95/91/26/909959126.db2.gz PJCXFENULHYTAG-CYBMUJFWSA-N 2 0 292.427 1.325 10 0 CDAERP COC1(OC)CC[C@@H]1N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000715543527 910018674 /nfs/dbraw/zinc/01/86/74/910018674.db2.gz PIFLUPGNXGEXCO-XQQFMLRXSA-N 2 0 256.390 1.600 10 0 CDAERP C[NH+](C)C1(C)CCC([NH2+]C2CC(S(C)(=O)=O)C2)CC1 ZINC000715557481 910021695 /nfs/dbraw/zinc/02/16/95/910021695.db2.gz IKVOVWDWVBHWNP-UHFFFAOYSA-N 2 0 288.457 1.415 10 0 CDAERP C[C@@H]1CNC[C@H]([NH2+]C2CCC(C)([NH+](C)C)CC2)C1 ZINC000715572683 910021720 /nfs/dbraw/zinc/02/17/20/910021720.db2.gz MEPIHZQIDYDRAB-FGZQJIAISA-N 2 0 253.434 1.837 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cc(C)no1 ZINC001409420465 910387233 /nfs/dbraw/zinc/38/72/33/910387233.db2.gz DSWSSXXEEUQSPD-STQMWFEESA-N 2 0 296.415 1.308 10 0 CDAERP C[N@H+](CCN1CC[NH2+]CC1)Cc1cncc2ccccc21 ZINC000165071439 910699585 /nfs/dbraw/zinc/69/95/85/910699585.db2.gz VNUSLVXDXJPJJW-UHFFFAOYSA-N 2 0 284.407 1.572 10 0 CDAERP CN(CCC[NH2+]Cc1ccsc1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001483456259 911144036 /nfs/dbraw/zinc/14/40/36/911144036.db2.gz RAAORTQBBFKRRV-AWEZNQCLSA-N 2 0 295.452 1.780 10 0 CDAERP CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000921437975 914930241 /nfs/dbraw/zinc/93/02/41/914930241.db2.gz MMKKLYFSYIYAHO-MCIONIFRSA-N 2 0 282.432 1.253 10 0 CDAERP CCO[C@@H](C[NH2+]Cc1cccc2n[nH]cc21)CN(C)C ZINC000922756701 921790375 /nfs/dbraw/zinc/79/03/75/921790375.db2.gz SXKOXKFXJMDFJI-ZDUSSCGKSA-N 2 0 276.384 1.619 10 0 CDAERP COCCCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCC1 ZINC001484628519 915976381 /nfs/dbraw/zinc/97/63/81/915976381.db2.gz WERLUSBTJRKPRD-CQSZACIVSA-N 2 0 297.443 1.136 10 0 CDAERP CCCC[C@H](C[NH2+]CC)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001485462763 916997472 /nfs/dbraw/zinc/99/74/72/916997472.db2.gz HMZFPNXQDQMICY-CABCVRRESA-N 2 0 281.444 1.613 10 0 CDAERP C[C@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CN(CCF)C1 ZINC001485509182 917049410 /nfs/dbraw/zinc/04/94/10/917049410.db2.gz HDVMAKXFHMUQSY-JSGCOSHPSA-N 2 0 285.407 1.267 10 0 CDAERP CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001485538206 917067051 /nfs/dbraw/zinc/06/70/51/917067051.db2.gz BNIXPVKUGCMCTP-GDBMZVCRSA-N 2 0 295.471 1.953 10 0 CDAERP CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCC[NH+](C)C)C[C@@H]2C1 ZINC001485658205 917158668 /nfs/dbraw/zinc/15/86/68/917158668.db2.gz TXBJQWRKDUKZMH-ARFHVFGLSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]C/C=C/Cl)C1 ZINC001485703646 917187698 /nfs/dbraw/zinc/18/76/98/917187698.db2.gz YRXBCGVFWJRIPK-SOICHRRHSA-N 2 0 287.835 1.565 10 0 CDAERP C[C@@H](CCC[NH2+]CC1CC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001485745165 917253668 /nfs/dbraw/zinc/25/36/68/917253668.db2.gz QVLRZXCAIBGCMI-ZDUSSCGKSA-N 2 0 279.428 1.367 10 0 CDAERP c1nn(C2CCC2)cc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000921536933 918996742 /nfs/dbraw/zinc/99/67/42/918996742.db2.gz MFCSDZCZRDQZFG-UHFFFAOYSA-N 2 0 292.427 1.810 10 0 CDAERP C[C@H](CN1CCOCC1)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC001434458000 919019794 /nfs/dbraw/zinc/01/97/94/919019794.db2.gz CGIZKCWFDAALFB-IRXDYDNUSA-N 2 0 297.487 1.761 10 0 CDAERP C[NH2+]CCCNC(=O)C[C@@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000832373603 936577495 /nfs/dbraw/zinc/57/74/95/936577495.db2.gz ZRBJSKXPCSSKMG-LLVKDONJSA-N 2 0 284.791 1.159 10 0 CDAERP CO[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CN2CCC[C@H]2CO1 ZINC000385968183 936627948 /nfs/dbraw/zinc/62/79/48/936627948.db2.gz PQVNLMPMKBEYRA-XDQVBPFNSA-N 2 0 254.374 1.007 10 0 CDAERP CC(C)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001485877776 920543332 /nfs/dbraw/zinc/54/33/32/920543332.db2.gz ZECHRTNQJPKNAO-UKRRQHHQSA-N 2 0 281.444 1.421 10 0 CDAERP CC(C)[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001486092181 920690599 /nfs/dbraw/zinc/69/05/99/920690599.db2.gz MPIYQWFIIIJCEQ-KGLIPLIRSA-N 2 0 269.433 1.706 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCCF)[C@@H]1C ZINC001486093279 920694306 /nfs/dbraw/zinc/69/43/06/920694306.db2.gz KWQWGOSXDWONPJ-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC=C(C)C)C[C@H]1C ZINC001486130760 920738828 /nfs/dbraw/zinc/73/88/28/920738828.db2.gz SRHOJJNAWQIXGD-HUUCEWRRSA-N 2 0 281.444 1.873 10 0 CDAERP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCCOCC(F)(F)F)C2 ZINC000702123468 922482499 /nfs/dbraw/zinc/48/24/99/922482499.db2.gz CKXDSNPQUDDSLO-WDEREUQCSA-N 2 0 266.307 1.497 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)CCOc1ccc(C)cc1 ZINC000706628324 923077528 /nfs/dbraw/zinc/07/75/28/923077528.db2.gz IJKCJVQQKYBZGV-UHFFFAOYSA-N 2 0 266.385 1.542 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@@H]1COc3ccccc3O1)C2 ZINC000709863497 923228980 /nfs/dbraw/zinc/22/89/80/923228980.db2.gz QREYFTZIRURWIE-RFQIPJPRSA-N 2 0 274.364 1.638 10 0 CDAERP CCN1CCC[C@@H]1C[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000710874894 923250999 /nfs/dbraw/zinc/25/09/99/923250999.db2.gz KWSUFVJHBLOUOR-CQSZACIVSA-N 2 0 297.443 1.927 10 0 CDAERP C[C@@H](CC[NH2+]CC1CN(C(=O)OC(C)(C)C)C1)[NH+](C)C ZINC000710889280 923255845 /nfs/dbraw/zinc/25/58/45/923255845.db2.gz AVCQQPROABWODH-LBPRGKRZSA-N 2 0 285.432 1.783 10 0 CDAERP C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923296828 923721477 /nfs/dbraw/zinc/72/14/77/923721477.db2.gz DNTCHJGXTCIZPQ-AWEZNQCLSA-N 2 0 264.344 1.636 10 0 CDAERP CCNC(=O)C[N@H+](CC)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923305594 923727286 /nfs/dbraw/zinc/72/72/86/923727286.db2.gz HESURBPGUSCYAB-AGUYFDCRSA-N 2 0 267.417 1.365 10 0 CDAERP COc1ccc(C(C)C)cc1CNC(C[NH3+])C[NH3+] ZINC000923358442 923771464 /nfs/dbraw/zinc/77/14/64/923771464.db2.gz CCFCJONFPDTEMP-UHFFFAOYSA-N 2 0 251.374 1.194 10 0 CDAERP CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CCC[NH2+]C2CC2)C1 ZINC000923376919 923792226 /nfs/dbraw/zinc/79/22/26/923792226.db2.gz GPXXSROGUHKVBQ-KGLIPLIRSA-N 2 0 297.443 1.975 10 0 CDAERP CC(C)CC[C@H](O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000923415040 923821251 /nfs/dbraw/zinc/82/12/51/923821251.db2.gz PNIVCTVCIXQWQU-KKUMJFAQSA-N 2 0 254.418 1.857 10 0 CDAERP c1cc(CN2CC[NH2+]CC[NH2+]CC2)cc2c1CCC2 ZINC000923459351 923842239 /nfs/dbraw/zinc/84/22/39/923842239.db2.gz GGKCINDVPITODT-UHFFFAOYSA-N 2 0 259.397 1.170 10 0 CDAERP Fc1ccc(SCCN2CC[NH2+]CC[NH2+]CC2)cc1 ZINC000923459429 923842405 /nfs/dbraw/zinc/84/24/05/923842405.db2.gz AMARGFABOYIKAP-UHFFFAOYSA-N 2 0 283.416 1.413 10 0 CDAERP C[C@@H]1c2sccc2CC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000711813146 923851713 /nfs/dbraw/zinc/85/17/13/923851713.db2.gz BRGAHWFEWNRACB-GFCCVEGCSA-N 2 0 293.436 1.489 10 0 CDAERP COc1ccc([C@H](C[NH3+])C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000923494984 923881256 /nfs/dbraw/zinc/88/12/56/923881256.db2.gz RIRLZRBMDWYBGD-CWRNSKLLSA-N 3 0 291.439 1.654 10 0 CDAERP C[C@H]1CCC[C@@H](NC(=O)C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)[C@H]1C ZINC000923509976 923889128 /nfs/dbraw/zinc/88/91/28/923889128.db2.gz RNMXJXXRTMEWBF-ZVDSWSACSA-N 2 0 295.471 1.844 10 0 CDAERP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)C2CC2)C1 ZINC000838865307 936892587 /nfs/dbraw/zinc/89/25/87/936892587.db2.gz RPYIYNDHTNCGFK-UKRRQHHQSA-N 2 0 252.402 1.421 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H]3C[C@@H]32)CC1 ZINC000839534680 936914564 /nfs/dbraw/zinc/91/45/64/936914564.db2.gz VGZAVDCTOMTNFX-OCCSQVGLSA-N 2 0 265.401 1.070 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)[NH2+]CC1CC(C)(C)C1)[NH+](C)C ZINC001491495295 936924201 /nfs/dbraw/zinc/92/42/01/936924201.db2.gz MLMVVMSRXWZWFV-TZMCWYRMSA-N 2 0 283.460 1.857 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N2CCCC[C@H]2CC[NH2+]CCF)C1 ZINC001568397245 1169271409 /nfs/dbraw/zinc/27/14/09/1169271409.db2.gz WCQJYBDPTGUZAT-CABCVRRESA-N 2 0 299.434 1.659 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000841856611 937018998 /nfs/dbraw/zinc/01/89/98/937018998.db2.gz XTDGAJZTTOXBIU-LMRVLLHPSA-N 2 0 296.459 1.818 10 0 CDAERP CC[NH2+]CCCNC(=O)C[C@@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000841845525 937017560 /nfs/dbraw/zinc/01/75/60/937017560.db2.gz BQLIUMLCIVEHDG-GFCCVEGCSA-N 2 0 298.818 1.549 10 0 CDAERP CC[C@@H](C(=O)N1CCC(CC)([NH2+]CCCO)CC1)[NH+](C)C ZINC001273795982 925920601 /nfs/dbraw/zinc/92/06/01/925920601.db2.gz RWDFNUBQXKDWEQ-AWEZNQCLSA-N 2 0 299.459 1.070 10 0 CDAERP CC[NH+](CC)CC[C@@H](CO)NC[C@H](O)c1ccccc1F ZINC000843099636 937112518 /nfs/dbraw/zinc/11/25/18/937112518.db2.gz AVBHXPRLRJBCOH-BBRMVZONSA-N 2 0 298.402 1.542 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]C(C)C)C(C)(C)C1 ZINC001411105920 927040254 /nfs/dbraw/zinc/04/02/54/927040254.db2.gz LTWRUZXFFMDGTE-CQSZACIVSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[C@H](C(=O)NCCC[N@H+](C)CC1CC1)[NH+](C)C ZINC001490270670 927066057 /nfs/dbraw/zinc/06/60/57/927066057.db2.gz DYKQCFZQADVHIX-CQSZACIVSA-N 2 0 269.433 1.421 10 0 CDAERP CO[C@@H](C)C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001490367684 927132973 /nfs/dbraw/zinc/13/29/73/927132973.db2.gz SBLHGMGEKRTPFI-ZFWWWQNUSA-N 2 0 297.443 1.086 10 0 CDAERP CC[N@H+](CCF)CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001490362282 927157001 /nfs/dbraw/zinc/15/70/01/927157001.db2.gz TUWZPHLIVQFJCJ-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CC[N@H+](CCF)CCCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001490362284 927158030 /nfs/dbraw/zinc/15/80/30/927158030.db2.gz TUWZPHLIVQFJCJ-OKILXGFUSA-N 2 0 287.423 1.657 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1CC)C[C@@H](C)O ZINC001490361363 927158684 /nfs/dbraw/zinc/15/86/84/927158684.db2.gz KVDIEHJMHSUHKX-HUUCEWRRSA-N 2 0 299.459 1.070 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+](CCOC)C(C)C)CC[N@@H+]1C ZINC001411221968 927260646 /nfs/dbraw/zinc/26/06/46/927260646.db2.gz BSQPKJPDJTVVPM-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)([NH3+])CCC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000843474648 937154503 /nfs/dbraw/zinc/15/45/03/937154503.db2.gz UOKKRQSETOXCIS-AWEZNQCLSA-N 2 0 253.390 1.106 10 0 CDAERP [NH3+]Cc1cccc(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000825547577 928016806 /nfs/dbraw/zinc/01/68/06/928016806.db2.gz NVGYAHBMOKBDKB-HZPDHXFCSA-N 2 0 287.407 1.750 10 0 CDAERP CN(CC1C[NH+](C)C1)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000855641894 928452272 /nfs/dbraw/zinc/45/22/72/928452272.db2.gz RFGVCOKYHZAXMS-OAHLLOKOSA-N 2 0 285.407 1.219 10 0 CDAERP COC(=O)C1=CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000858473852 928868268 /nfs/dbraw/zinc/86/82/68/928868268.db2.gz SYKQTBZGFINPDB-MJBXVCDLSA-N 2 0 264.369 1.465 10 0 CDAERP CCOC(=O)C1=CC[C@H]([NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)C1 ZINC000858504328 928875355 /nfs/dbraw/zinc/87/53/55/928875355.db2.gz POBJSXNXIAIRDR-AEGPPILISA-N 2 0 280.412 1.958 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCNc2ncccn2)[C@H]2CCC[C@@H]21 ZINC000796794410 937313327 /nfs/dbraw/zinc/31/33/27/937313327.db2.gz UAMZURZRIRVDJP-ILXRZTDVSA-N 2 0 289.427 1.741 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000861564587 929306809 /nfs/dbraw/zinc/30/68/09/929306809.db2.gz MWMITKCWYQUHAD-HZSPNIEDSA-N 2 0 282.432 1.301 10 0 CDAERP COC(=O)C1=CC[C@H]([NH2+][C@H](C)c2ccc(C[NH3+])nc2C)C1 ZINC000863543061 929566680 /nfs/dbraw/zinc/56/66/80/929566680.db2.gz VKINCSYERNIKHR-MFKMUULPSA-N 2 0 289.379 1.761 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cccnc1-n1ccnc1 ZINC000817898526 930622322 /nfs/dbraw/zinc/62/23/22/930622322.db2.gz HXAUZFAWHQACRC-RYUDHWBXSA-N 2 0 259.357 1.483 10 0 CDAERP C[C@@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[S@](C)=O ZINC000820823457 930967855 /nfs/dbraw/zinc/96/78/55/930967855.db2.gz NJPNMWHKUBRQND-VCSKJBFKSA-N 2 0 284.469 1.891 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C)([NH2+]CCCF)CC1 ZINC001274350455 931492516 /nfs/dbraw/zinc/49/25/16/931492516.db2.gz KHHASNOYWDSPNE-AWEZNQCLSA-N 2 0 299.434 1.801 10 0 CDAERP C[C@@H](F)CC[NH2+]C/C=C/CNC(=O)C[NH+]1CCC(C)CC1 ZINC001274463335 931501785 /nfs/dbraw/zinc/50/17/85/931501785.db2.gz FJXIXHDYFLZYGI-NHZBNJEXSA-N 2 0 299.434 1.728 10 0 CDAERP COCCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001275432791 931790394 /nfs/dbraw/zinc/79/03/94/931790394.db2.gz FRWCXBHBOUQMKG-UONOGXRCSA-N 2 0 297.443 1.134 10 0 CDAERP C[C@@H]([NH2+]CC1CC1)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001275472211 931815210 /nfs/dbraw/zinc/81/52/10/931815210.db2.gz VXHAXNYCNDULJX-NEPJUHHUSA-N 2 0 267.417 1.221 10 0 CDAERP [NH3+]CCCCCC[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000846221127 931994554 /nfs/dbraw/zinc/99/45/54/931994554.db2.gz GTOWXFUYFKYREG-UHFFFAOYSA-N 2 0 291.443 1.923 10 0 CDAERP [NH3+]CCCCCC[N@@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000846223910 931997081 /nfs/dbraw/zinc/99/70/81/931997081.db2.gz QGRNUWAEJMLUGP-KGLIPLIRSA-N 2 0 267.417 1.496 10 0 CDAERP CN(CCC[NH2+]C/C=C\Cl)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001276007337 932228419 /nfs/dbraw/zinc/22/84/19/932228419.db2.gz QOIVNEMRQNVCPH-OLVMAOTFSA-N 2 0 299.846 1.519 10 0 CDAERP C[NH2+]CCCCC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000719711557 932231697 /nfs/dbraw/zinc/23/16/97/932231697.db2.gz SDWZGVGJWWFUQD-UHFFFAOYSA-N 2 0 255.406 1.176 10 0 CDAERP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000924700031 932814495 /nfs/dbraw/zinc/81/44/95/932814495.db2.gz VUMBQIATQRJBCV-AIEDFZFUSA-N 2 0 252.402 1.874 10 0 CDAERP C(C1CC1)[NH+]1CCC([NH2+][C@H]2CCOC23CCOCC3)CC1 ZINC000924713795 932816101 /nfs/dbraw/zinc/81/61/01/932816101.db2.gz TWTLFWUONSVLQT-INIZCTEOSA-N 2 0 294.439 1.789 10 0 CDAERP CC[C@H](C[C@](C)(O)CC)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000924966325 932837351 /nfs/dbraw/zinc/83/73/51/932837351.db2.gz SAPBZRSIVFPSAP-ARFHVFGLSA-N 2 0 285.476 1.542 10 0 CDAERP CCN1CC[NH+](C[C@H](C)CN[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925491815 932893104 /nfs/dbraw/zinc/89/31/04/932893104.db2.gz RSHRPSLGMFMYAI-CVEARBPZSA-N 2 0 294.487 1.134 10 0 CDAERP CC1(C)C[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2)C[C@@H]([NH3+])C1 ZINC000925506405 932895172 /nfs/dbraw/zinc/89/51/72/932895172.db2.gz RAAFIDXVZDWBLN-KGLIPLIRSA-N 2 0 275.396 1.781 10 0 CDAERP CC1(C)C[C@@H]([NH2+][C@@H]2CCCCNC2=O)C[C@@H]([NH3+])C1 ZINC000925537433 932900731 /nfs/dbraw/zinc/90/07/31/932900731.db2.gz XQWKFIVJXCWYMD-GRYCIOLGSA-N 2 0 253.390 1.151 10 0 CDAERP CC1(C)C[C@@H](NC[C@H]2CC[N@@H+](C3CC3)C2)C[C@@H]([NH3+])C1 ZINC000925536204 932901028 /nfs/dbraw/zinc/90/10/28/932901028.db2.gz CJMCGKHXSSGUSS-MCIONIFRSA-N 2 0 265.445 1.966 10 0 CDAERP CCn1cc(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)cn1 ZINC000925568969 932906736 /nfs/dbraw/zinc/90/67/36/932906736.db2.gz NJOCHSMNERIVNM-OLZOCXBDSA-N 2 0 250.390 1.899 10 0 CDAERP COCCC[NH+]1CCC(N[C@@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925578338 932909486 /nfs/dbraw/zinc/90/94/86/932909486.db2.gz VGNYYFOWNADYQA-LSDHHAIUSA-N 2 0 281.444 1.347 10 0 CDAERP CCN(CC)C(=O)CCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925594467 932911863 /nfs/dbraw/zinc/91/18/63/932911863.db2.gz CWJPXJWOAREZQO-AWEZNQCLSA-N 2 0 281.444 1.899 10 0 CDAERP CC[C@H](CCO)[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925622663 932916570 /nfs/dbraw/zinc/91/65/70/932916570.db2.gz MGVFTCRKDDXZLG-ILXRZTDVSA-N 2 0 254.418 1.905 10 0 CDAERP CS(=O)(=O)CCCCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925641972 932919969 /nfs/dbraw/zinc/91/99/69/932919969.db2.gz DTOXZGFPWQQVFA-VXGBXAGGSA-N 2 0 274.430 1.061 10 0 CDAERP OCCCCC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925654104 932922543 /nfs/dbraw/zinc/92/25/43/932922543.db2.gz PUHWRDKTKSXKSX-GJZGRUSLSA-N 2 0 254.418 1.907 10 0 CDAERP C[C@@H]1[NH2+]CCC[C@@H]1NC1CC([NH+]2CCCCC2)C1 ZINC000925662653 932923470 /nfs/dbraw/zinc/92/34/70/932923470.db2.gz KSBQGWICPAHHFG-PPWQZUPISA-N 2 0 251.418 1.733 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925667140 932924022 /nfs/dbraw/zinc/92/40/22/932924022.db2.gz ANQYELONRNAAJF-MJBXVCDLSA-N 2 0 251.418 1.720 10 0 CDAERP Cn1cnc(CCC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)n1 ZINC000925708492 932930504 /nfs/dbraw/zinc/93/05/04/932930504.db2.gz STTNOHXCZNUEGG-HUUCEWRRSA-N 2 0 291.443 1.506 10 0 CDAERP [NH3+]C1(C[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)CCOCC1 ZINC000925719539 932931290 /nfs/dbraw/zinc/93/12/90/932931290.db2.gz OUHNJKKPZMEJAU-HZSPNIEDSA-N 2 0 268.401 1.289 10 0 CDAERP CC(C)([NH3+])CCN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925736197 932934075 /nfs/dbraw/zinc/93/40/75/932934075.db2.gz CTWCFDBOBJMDQU-KGLIPLIRSA-N 2 0 253.434 1.872 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000925785763 932938973 /nfs/dbraw/zinc/93/89/73/932938973.db2.gz QSHUHFMWPAFYIH-MMTVNHQJSA-N 2 0 287.407 1.440 10 0 CDAERP C[C@@H]1CCC[C@@H](C)C1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925808213 932940316 /nfs/dbraw/zinc/94/03/16/932940316.db2.gz BBDLFDDNTLNCLQ-CHWSQXEVSA-N 2 0 253.434 1.824 10 0 CDAERP Cc1c([C@H](C)[NH2+]CCN2CCC([NH3+])CC2)cnn1C(C)C ZINC000925812868 932940689 /nfs/dbraw/zinc/94/06/89/932940689.db2.gz PVXFDTTUBVJLOY-ZDUSSCGKSA-N 2 0 293.459 1.846 10 0 CDAERP CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925811231 932940952 /nfs/dbraw/zinc/94/09/52/932940952.db2.gz ZDDQLTOEGBWRQY-GJZGRUSLSA-N 2 0 291.439 1.605 10 0 CDAERP CCO[C@@H](CN[C@H](CC)[C@@H]1CCC[NH2+]1)C[NH+](C)C ZINC000925836441 932944313 /nfs/dbraw/zinc/94/43/13/932944313.db2.gz KVDNLNXUGBSFAR-MJBXVCDLSA-N 2 0 257.422 1.073 10 0 CDAERP O=C1C[C@H](CC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CN1 ZINC000925837843 932944860 /nfs/dbraw/zinc/94/48/60/932944860.db2.gz IJZBQPMLSANNNL-NWANDNLSSA-N 2 0 279.428 1.271 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CC[C@@H]2CNC(=O)C2)C1 ZINC000925838859 932944949 /nfs/dbraw/zinc/94/49/49/932944949.db2.gz OOTPUSHUXZNJFC-QJPTWQEYSA-N 2 0 253.390 1.008 10 0 CDAERP O=C1O[C@@H](C[NH2+][C@H]2CCCSC2)CC12CC[NH2+]CC2 ZINC000925851953 932945323 /nfs/dbraw/zinc/94/53/23/932945323.db2.gz AYPHMECLPVHKGT-NWDGAFQWSA-N 2 0 284.425 1.157 10 0 CDAERP C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)C1CCOCC1 ZINC000925845654 932946157 /nfs/dbraw/zinc/94/61/57/932946157.db2.gz ZIRYJPIMIMRHMT-NWANDNLSSA-N 2 0 252.402 1.923 10 0 CDAERP COCCC[C@@H](C)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925849926 932946223 /nfs/dbraw/zinc/94/62/23/932946223.db2.gz FWUVIROZTZPZQQ-CHWSQXEVSA-N 2 0 284.400 1.076 10 0 CDAERP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1 ZINC000925858571 932946716 /nfs/dbraw/zinc/94/67/16/932946716.db2.gz YOVHWBURBDRALR-AGIUHOORSA-N 2 0 266.385 1.450 10 0 CDAERP CC1(C)C[C@@H]([NH2+]CCO[C@@H]2CCOC2)C[C@@H]([NH3+])C1 ZINC000925874285 932948487 /nfs/dbraw/zinc/94/84/87/932948487.db2.gz IAYDVGBZFWBYKQ-FRRDWIJNSA-N 2 0 256.390 1.288 10 0 CDAERP C[NH+]1CCC(C)(C[NH2+][C@H]2CN3C[C@@H]2CCC3)CC1 ZINC000926113908 932965502 /nfs/dbraw/zinc/96/55/02/932965502.db2.gz JPINOWVIILLLAQ-KBPBESRZSA-N 2 0 251.418 1.402 10 0 CDAERP CN(C[C@H]1CCC[N@@H+]1C)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000926382516 932986145 /nfs/dbraw/zinc/98/61/45/932986145.db2.gz LMYISYHGECMVBT-CABCVRRESA-N 2 0 266.433 1.145 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCOC12CCOCC2 ZINC000926708849 933014641 /nfs/dbraw/zinc/01/46/41/933014641.db2.gz RNRFSYHGIIGKEF-ZIAGYGMSSA-N 2 0 268.401 1.398 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000926787424 933023412 /nfs/dbraw/zinc/02/34/12/933023412.db2.gz XIYADVGLZAXVEJ-FAYMQBNHSA-N 2 0 262.397 1.340 10 0 CDAERP CCO[C@H](CN[C@H]1C[N@@H+](C2CC2)C[C@H]1C)C[NH+](C)C ZINC000926966032 933035844 /nfs/dbraw/zinc/03/58/44/933035844.db2.gz VCDVIPXUDKMRNF-YUELXQCFSA-N 2 0 269.433 1.025 10 0 CDAERP C[NH+]1CCC2(CCN(C[C@@H]([NH3+])CC(F)F)CC2)CC1 ZINC000691898215 933133172 /nfs/dbraw/zinc/13/31/72/933133172.db2.gz HJFACTFZJDFTPQ-LBPRGKRZSA-N 2 0 275.387 1.777 10 0 CDAERP CN(CCc1ccns1)C[C@H]1CCC[N@H+](C)C1 ZINC000929704098 933260990 /nfs/dbraw/zinc/26/09/90/933260990.db2.gz WSYLXWBVJCRAAZ-LBPRGKRZSA-N 2 0 253.415 1.959 10 0 CDAERP CCC[NH+]1CCC([N@H+](C)C[C@H](O)CCC2(O)CCC2)CC1 ZINC000929778751 933268773 /nfs/dbraw/zinc/26/87/73/933268773.db2.gz VHRHUEVYIKQERM-MRXNPFEDSA-N 2 0 298.471 1.849 10 0 CDAERP CCC[N@H+](C)C[C@H]1CC[NH+](CCCCCNC(C)=O)C1 ZINC000929778476 933269009 /nfs/dbraw/zinc/26/90/09/933269009.db2.gz JZRGVSCPRQXTKN-MRXNPFEDSA-N 2 0 283.460 1.957 10 0 CDAERP C[NH+](C)CC1(O)CC[NH+](CCc2cccc(F)c2)CC1 ZINC000931479545 933570883 /nfs/dbraw/zinc/57/08/83/933570883.db2.gz SNNJRQSXTSYSPW-UHFFFAOYSA-N 2 0 280.387 1.757 10 0 CDAERP CCC1([NH2+]CCCF)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001327437472 934404809 /nfs/dbraw/zinc/40/48/09/934404809.db2.gz ORABBAVZJWKQSG-CQSZACIVSA-N 2 0 299.434 1.801 10 0 CDAERP CCN(CC)[C@H](C)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647796999 935052157 /nfs/dbraw/zinc/05/21/57/935052157.db2.gz UJLCNNKYAGGHIK-APIJFGDWSA-N 2 0 253.434 1.694 10 0 CDAERP Cc1cc(N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)nc(N)[nH+]1 ZINC000720445286 935138750 /nfs/dbraw/zinc/13/87/50/935138750.db2.gz RELYRPXYVXSCFD-GHMZBOCLSA-N 2 0 279.413 1.359 10 0 CDAERP C([C@H]1C[C@H]2CCC[C@@H]2O1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000720881712 935265061 /nfs/dbraw/zinc/26/50/61/935265061.db2.gz SGJHADLWQQFJDF-ZSAUSMIDSA-N 2 0 250.386 1.628 10 0 CDAERP C[C@H](C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1)C1CCCCC1 ZINC001413077753 935881382 /nfs/dbraw/zinc/88/13/82/935881382.db2.gz KTBFCHHLAVGKJQ-OAHLLOKOSA-N 2 0 295.471 1.909 10 0 CDAERP CNC(=O)c1ccc(C[NH2+][C@@H](C)C2CC[NH2+]CC2)cc1 ZINC000400436846 940849412 /nfs/dbraw/zinc/84/94/12/940849412.db2.gz DEGFAKFSBDSJRD-LBPRGKRZSA-N 2 0 275.396 1.524 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C[NH+]1CCCC1 ZINC001362064784 970839506 /nfs/dbraw/zinc/83/95/06/970839506.db2.gz LYGKDEUKDZUCKI-PMPSAXMXSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C[NH+]1CCCC1 ZINC001362064775 970840807 /nfs/dbraw/zinc/84/08/07/970840807.db2.gz LYGKDEUKDZUCKI-OAGGEKHMSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)=CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001283278057 942870270 /nfs/dbraw/zinc/87/02/70/942870270.db2.gz HIZPCRXWYSPWGR-GJZGRUSLSA-N 2 0 281.444 1.779 10 0 CDAERP CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H](CC)[NH+](C)C ZINC001283554489 942931651 /nfs/dbraw/zinc/93/16/51/942931651.db2.gz REVBQPXOCCMFGN-KBPBESRZSA-N 2 0 269.433 1.563 10 0 CDAERP CCC[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C(C)(C)C ZINC001284653819 943234124 /nfs/dbraw/zinc/23/41/24/943234124.db2.gz VNTGZCMXXFJMGS-CYBMUJFWSA-N 2 0 269.433 1.613 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CCCCC[C@H]([NH2+]CCO)C1 ZINC001264125267 944083902 /nfs/dbraw/zinc/08/39/02/944083902.db2.gz GILYFBADAYTSCT-HNNXBMFYSA-N 2 0 299.459 1.071 10 0 CDAERP CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001264487308 944142294 /nfs/dbraw/zinc/14/22/94/944142294.db2.gz ZFQWNZQTAPDYFZ-YNEHKIRRSA-N 2 0 255.406 1.221 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CC(C)C ZINC001264617568 944154370 /nfs/dbraw/zinc/15/43/70/944154370.db2.gz SVZXGXFNIUJYJV-UONOGXRCSA-N 2 0 269.433 1.563 10 0 CDAERP CCCC[N@@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H]1C ZINC001264720365 944169473 /nfs/dbraw/zinc/16/94/73/944169473.db2.gz LQMSXUICJXLKOF-RDBSUJKOSA-N 2 0 269.433 1.706 10 0 CDAERP C[C@@H](O)CCC[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001265001133 944198482 /nfs/dbraw/zinc/19/84/82/944198482.db2.gz OSAWPMIDRNDLCT-HUUCEWRRSA-N 2 0 299.459 1.070 10 0 CDAERP C[N@H+](CCCF)CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001265019661 944201769 /nfs/dbraw/zinc/20/17/69/944201769.db2.gz FJYSUUIHVGRIAR-UHFFFAOYSA-N 2 0 287.423 1.659 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001265691971 944470982 /nfs/dbraw/zinc/47/09/82/944470982.db2.gz VXMLPCQBZBVFCD-HZPDHXFCSA-N 2 0 293.455 1.875 10 0 CDAERP CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CCC1CC1)[NH+](C)C ZINC001277987907 944524804 /nfs/dbraw/zinc/52/48/04/944524804.db2.gz KXFDPPDJYVOICM-TZMCWYRMSA-N 2 0 269.433 1.563 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+](C)C(C)C ZINC001278004928 944556408 /nfs/dbraw/zinc/55/64/08/944556408.db2.gz HMZHZAYOFXTLQH-ZDUSSCGKSA-N 2 0 255.406 1.317 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC001261501749 946147484 /nfs/dbraw/zinc/14/74/84/946147484.db2.gz NBSKJCLGBQIVRZ-CHWSQXEVSA-N 2 0 255.406 1.352 10 0 CDAERP C[NH+](C)CCc1cccc(C(=O)N2CC[NH2+]C(C)(C)C2)c1 ZINC001362428391 971263802 /nfs/dbraw/zinc/26/38/02/971263802.db2.gz BIKXVNBWECQMSW-UHFFFAOYSA-N 2 0 289.423 1.615 10 0 CDAERP C[NH+](C)C1CCN(CC[NH2+]CCc2ccc(F)cc2)CC1 ZINC001254328630 947368628 /nfs/dbraw/zinc/36/86/28/947368628.db2.gz OPHGTSHJFQCWIR-UHFFFAOYSA-N 2 0 293.430 1.984 10 0 CDAERP CCN1CC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001362527149 971372750 /nfs/dbraw/zinc/37/27/50/971372750.db2.gz FIIJBMLXTLTOSI-CABCVRRESA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001479716649 971381397 /nfs/dbraw/zinc/38/13/97/971381397.db2.gz MSTMIDLVYYCPRH-CABCVRRESA-N 2 0 293.455 1.873 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCCCOC)[C@@H]1C)[NH+](C)C ZINC001479725296 971383044 /nfs/dbraw/zinc/38/30/44/971383044.db2.gz WVOBVBKUEIGUDY-ILXRZTDVSA-N 2 0 299.459 1.332 10 0 CDAERP CC[C@H](C(=O)NCCC[N@H+](C)C[C@@H]1CCCCO1)[NH+](C)C ZINC001479808075 971432797 /nfs/dbraw/zinc/43/27/97/971432797.db2.gz OZMIRSZVHSUOLR-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC001362612401 971455980 /nfs/dbraw/zinc/45/59/80/971455980.db2.gz NTMHIGFNHLXVHH-HOCLYGCPSA-N 2 0 295.471 1.765 10 0 CDAERP C[C@H](C[NH2+]CC1CCCCC1)NC(=O)CC[NH+](C)C ZINC001569015919 1169597138 /nfs/dbraw/zinc/59/71/38/1169597138.db2.gz FNGOAJGLCOEAIC-CYBMUJFWSA-N 2 0 269.433 1.613 10 0 CDAERP C[N@@H+]1CCC[C@H](CCNC(=O)CC[NH+]2CC[C@@H](F)C2)C1 ZINC001362709454 971549761 /nfs/dbraw/zinc/54/97/61/971549761.db2.gz ZDXHVNAITDEBHV-ZIAGYGMSSA-N 2 0 285.407 1.268 10 0 CDAERP CCCCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001480120061 971585468 /nfs/dbraw/zinc/58/54/68/971585468.db2.gz CJPCHYSEIGRJKH-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001362800462 971630224 /nfs/dbraw/zinc/63/02/24/971630224.db2.gz ZXDBAGQOLPVYQE-ILXRZTDVSA-N 2 0 281.444 1.659 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001480238546 971642079 /nfs/dbraw/zinc/64/20/79/971642079.db2.gz TWWQOLXHGXQFSU-KFWWJZLASA-N 2 0 299.434 1.847 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+]Cc1cncs1 ZINC001480564866 971785829 /nfs/dbraw/zinc/78/58/29/971785829.db2.gz DQCWOYKIAXXUBK-LLVKDONJSA-N 2 0 284.429 1.079 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCF)C1 ZINC001480653730 971826435 /nfs/dbraw/zinc/82/64/35/971826435.db2.gz ORUNAFXTBMNWMJ-GJZGRUSLSA-N 2 0 299.434 1.514 10 0 CDAERP C[NH+]1CCC(CC(=O)N2CC[C@@H](C[NH2+]CCCF)C2)CC1 ZINC001480667223 971831762 /nfs/dbraw/zinc/83/17/62/971831762.db2.gz DHSNKSCAIDMQEB-HNNXBMFYSA-N 2 0 299.434 1.516 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H]([NH+](C)C)C2(C)C)C1 ZINC001363117502 971901329 /nfs/dbraw/zinc/90/13/29/971901329.db2.gz DDLRZDLBJFIZJZ-KKUMJFAQSA-N 2 0 295.471 1.953 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)C[NH+](C)[C@@H]1CCC[C@H]1O ZINC001363147516 971924803 /nfs/dbraw/zinc/92/48/03/971924803.db2.gz NGGDDFWUUSMNDF-RRFJBIMHSA-N 2 0 299.459 1.068 10 0 CDAERP CC[N@@H+]1CCN(C(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)[C@@H](C)C1 ZINC001364315248 954456178 /nfs/dbraw/zinc/45/61/78/954456178.db2.gz MPDTXTPJBNTPMG-KBPBESRZSA-N 2 0 296.459 1.595 10 0 CDAERP C[NH+](C)C1(C(=O)N2CC[NH2+][C@H](Cc3ccccc3)C2)CC1 ZINC001364417025 954590084 /nfs/dbraw/zinc/59/00/84/954590084.db2.gz NMNXPZHBZCWLRP-OAHLLOKOSA-N 2 0 287.407 1.124 10 0 CDAERP C[C@@H]1OCC[C@H]1C[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001364508930 954709063 /nfs/dbraw/zinc/70/90/63/954709063.db2.gz CHZQKEIPJNEKOJ-KBPBESRZSA-N 2 0 282.428 1.644 10 0 CDAERP C[N@H+](C[C@@H](O)CN1CCC(c2ncccn2)CC1)C1CC1 ZINC001364519829 954734475 /nfs/dbraw/zinc/73/44/75/954734475.db2.gz WXGRGTDCHFQSBM-OAHLLOKOSA-N 2 0 290.411 1.111 10 0 CDAERP O=C(NCCN(CCF)C1CC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001493430474 972049235 /nfs/dbraw/zinc/04/92/35/972049235.db2.gz RDGVSECFRJSWBY-CABCVRRESA-N 2 0 297.418 1.553 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)NCC[NH+]2CC=CCC2)C1 ZINC001297293360 954999690 /nfs/dbraw/zinc/99/96/90/954999690.db2.gz IKZFLZUKLVHFQU-HNNXBMFYSA-N 2 0 279.428 1.485 10 0 CDAERP CC(C)C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001569201874 1169719287 /nfs/dbraw/zinc/71/92/87/1169719287.db2.gz ODXZOTYEKQLMAC-HNNXBMFYSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+]Cc1ccc(F)cc1 ZINC001421739626 955515176 /nfs/dbraw/zinc/51/51/76/955515176.db2.gz HYVPIBHLTKTWTF-CYBMUJFWSA-N 2 0 295.402 1.619 10 0 CDAERP C[C@H](F)CC[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CCC1 ZINC001421765860 955531717 /nfs/dbraw/zinc/53/17/17/955531717.db2.gz KLIVFFBVOYNQBY-KGLIPLIRSA-N 2 0 299.434 1.705 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC1CC(C[NH2+]CCC2CC2)C1 ZINC001328961758 955583750 /nfs/dbraw/zinc/58/37/50/955583750.db2.gz WVZXOEHOUNWGKK-UHFFFAOYSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@@H](F)CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001421847612 955590028 /nfs/dbraw/zinc/59/00/28/955590028.db2.gz GSDLRIWNFYUVAB-KGLIPLIRSA-N 2 0 299.434 1.705 10 0 CDAERP CC[C@H](C)C[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001493768826 972112186 /nfs/dbraw/zinc/11/21/86/972112186.db2.gz CPMZYOKMZXSYDX-UONOGXRCSA-N 2 0 271.449 1.667 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001492078197 955640884 /nfs/dbraw/zinc/64/08/84/955640884.db2.gz PPOCCCOVDBWIPL-CQSZACIVSA-N 2 0 281.444 1.779 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCF)[C@H](C)C1 ZINC001422024514 955706644 /nfs/dbraw/zinc/70/66/44/955706644.db2.gz FVOAGKCGXAIDDI-OLZOCXBDSA-N 2 0 273.396 1.123 10 0 CDAERP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](C)CN2CCOCC2)CC1 ZINC001365269689 955798989 /nfs/dbraw/zinc/79/89/89/955798989.db2.gz UXZANCFHCYJALE-MRXNPFEDSA-N 2 0 297.487 1.759 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001492293964 955815035 /nfs/dbraw/zinc/81/50/35/955815035.db2.gz SVGAGNSOHSCXPM-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](C)CN2CCOCC2)C[C@H]1C ZINC001365284321 955824545 /nfs/dbraw/zinc/82/45/45/955824545.db2.gz BXLZHCHTKDVYGK-ZACQAIPSSA-N 2 0 297.487 1.759 10 0 CDAERP C[C@H]1CCCC[C@@H]1C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC001365312738 955881932 /nfs/dbraw/zinc/88/19/32/955881932.db2.gz DOCQRCAZURJJOS-LSDHHAIUSA-N 2 0 281.444 1.519 10 0 CDAERP C[NH+](C)CCC(=O)NC1CC(C[NH2+]Cc2ccccc2)C1 ZINC001422275061 955908561 /nfs/dbraw/zinc/90/85/61/955908561.db2.gz WVFRHFUFLOKHAN-UHFFFAOYSA-N 2 0 289.423 1.623 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCn1ccnc1CC ZINC001363446377 972173680 /nfs/dbraw/zinc/17/36/80/972173680.db2.gz JNXKGDBPXSPJPH-CYBMUJFWSA-N 2 0 278.400 1.436 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC2CCC2)CC1(C)C ZINC001422794858 956362409 /nfs/dbraw/zinc/36/24/09/956362409.db2.gz WXOJNZAMXDLANM-OAHLLOKOSA-N 2 0 295.471 1.953 10 0 CDAERP COCC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001422798882 956367981 /nfs/dbraw/zinc/36/79/81/956367981.db2.gz QBRWKSXHZDKIAE-KGLIPLIRSA-N 2 0 299.459 1.046 10 0 CDAERP C[N@H+](CCCF)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001365899096 956430411 /nfs/dbraw/zinc/43/04/11/956430411.db2.gz MRFZZVDWOAUGKQ-GJZGRUSLSA-N 2 0 299.434 1.753 10 0 CDAERP CC[C@@H](F)C[NH+]1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001365925022 956451039 /nfs/dbraw/zinc/45/10/39/956451039.db2.gz NOTAYIAUAYDWNW-CYBMUJFWSA-N 2 0 287.423 1.609 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](Cc2cccc(F)c2)C1 ZINC001365973931 956482620 /nfs/dbraw/zinc/48/26/20/956482620.db2.gz GOLIONSVVIFPSZ-OAHLLOKOSA-N 2 0 293.386 1.468 10 0 CDAERP C[NH+]1CCC(C(=O)N[C@H]2C[C@H](C[NH2+]CCCF)C2)CC1 ZINC001330650070 956539418 /nfs/dbraw/zinc/53/94/18/956539418.db2.gz FGSRNCREYVMYEQ-MQMHXKEQSA-N 2 0 285.407 1.172 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N[C@]2(C)C[NH+]3CCC2CC3)C1 ZINC001363476007 972192909 /nfs/dbraw/zinc/19/29/09/972192909.db2.gz OSGGVGPIDSCYSU-WMLDXEAASA-N 2 0 293.455 1.707 10 0 CDAERP CCC(CC)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001366153049 956606854 /nfs/dbraw/zinc/60/68/54/956606854.db2.gz DLDOZPADLLCLLR-QLFBSQMISA-N 2 0 281.444 1.754 10 0 CDAERP CO[C@@H](C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001366214310 956642667 /nfs/dbraw/zinc/64/26/67/956642667.db2.gz YBTMUEKDDKVIMG-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@H](C(=O)NCC1([NH2+]CC[C@H](C)F)CC1)[NH+](C)C ZINC001423247745 956684606 /nfs/dbraw/zinc/68/46/06/956684606.db2.gz UFYKPKVPHDDPLT-NWDGAFQWSA-N 2 0 273.396 1.313 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001366284730 956712068 /nfs/dbraw/zinc/71/20/68/956712068.db2.gz FHILNDRJTVOSBS-ZIAGYGMSSA-N 2 0 299.434 1.705 10 0 CDAERP CC(C)[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001423356454 956735615 /nfs/dbraw/zinc/73/56/15/956735615.db2.gz QYCAODODIYPIEO-NVXWUHKLSA-N 2 0 293.455 1.992 10 0 CDAERP Cc1nc(C)c(C[NH2+][C@H](C)CNC(=O)CC[NH+](C)C)s1 ZINC001366328105 956749434 /nfs/dbraw/zinc/74/94/34/956749434.db2.gz VOQCZSXPNOWPCA-SNVBAGLBSA-N 2 0 298.456 1.306 10 0 CDAERP CCC(CC)C[NH2+][C@@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001366345231 956758102 /nfs/dbraw/zinc/75/81/02/956758102.db2.gz LJYZEZZRZQAOHO-DZGCQCFKSA-N 2 0 283.460 1.859 10 0 CDAERP CC[C@@H](C(=O)NC[C@H](C)[NH2+]CCc1ccns1)[NH+](C)C ZINC001366354718 956764472 /nfs/dbraw/zinc/76/44/72/956764472.db2.gz ROSNPSRSWYULAM-AAEUAGOBSA-N 2 0 298.456 1.120 10 0 CDAERP Cc1cccnc1C[NH2+][C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001366356510 956767276 /nfs/dbraw/zinc/76/72/76/956767276.db2.gz IEQZOLYDIDNXCW-AWEZNQCLSA-N 2 0 290.411 1.080 10 0 CDAERP C[C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC1CCCC1 ZINC001366453133 956844692 /nfs/dbraw/zinc/84/46/92/956844692.db2.gz OXCGZSYAQSRSGL-HIFRSBDPSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001423580997 956871896 /nfs/dbraw/zinc/87/18/96/956871896.db2.gz XSPHEZYSYQHSMI-ZFWWWQNUSA-N 2 0 287.423 1.657 10 0 CDAERP CC[N@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)CC1CC1 ZINC001316907689 956880224 /nfs/dbraw/zinc/88/02/24/956880224.db2.gz QFVVDYJFDGMXNH-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP CCCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001331439663 957060713 /nfs/dbraw/zinc/06/07/13/957060713.db2.gz OFMWRJFWYITVHW-HIFRSBDPSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001424090487 957116054 /nfs/dbraw/zinc/11/60/54/957116054.db2.gz ZUQKJBIUAIJAOU-HOCLYGCPSA-N 2 0 295.471 1.668 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001366689918 957120201 /nfs/dbraw/zinc/12/02/01/957120201.db2.gz PBJABOLVKBPJAX-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP CCC[N@H+](CCCNC(=O)[C@@H]1CN(CC)CCO1)C1CC1 ZINC001316927920 957129366 /nfs/dbraw/zinc/12/93/66/957129366.db2.gz RYMLJQGXATWNKR-HNNXBMFYSA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001367080534 957393373 /nfs/dbraw/zinc/39/33/73/957393373.db2.gz YUJCXHKDIVFCTO-KGLIPLIRSA-N 2 0 287.423 1.609 10 0 CDAERP COC(=O)C[N@H+](CC(C)C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001332011156 957397453 /nfs/dbraw/zinc/39/74/53/957397453.db2.gz GAUKPAJFUAKDGW-AGUYFDCRSA-N 2 0 268.401 1.648 10 0 CDAERP CC(C)OCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001332024542 957405830 /nfs/dbraw/zinc/40/58/30/957405830.db2.gz FARSXNQKHINLQS-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@@H]1CCC[C@H]([NH2+]CCCF)C1 ZINC001317359030 957436516 /nfs/dbraw/zinc/43/65/16/957436516.db2.gz UPVBIMPZIRUWFH-UONOGXRCSA-N 2 0 287.423 1.705 10 0 CDAERP CC[NH2+]CC1(NC(=O)C[C@@H]2CC[N@H+](C)C2)CCCCC1 ZINC001425167794 957480498 /nfs/dbraw/zinc/48/04/98/957480498.db2.gz RXSGEWJKCBVFTQ-AWEZNQCLSA-N 2 0 281.444 1.757 10 0 CDAERP C[NH+](C)CC1(C(=O)NCC[N@H+](C)CC2=CCCCC2)CC1 ZINC001317457824 957490744 /nfs/dbraw/zinc/49/07/44/957490744.db2.gz CRADTYNDMHETNP-UHFFFAOYSA-N 2 0 293.455 1.877 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001317533228 957533925 /nfs/dbraw/zinc/53/39/25/957533925.db2.gz TXAHRYOTKDZKSF-HNNXBMFYSA-N 2 0 293.455 1.711 10 0 CDAERP Cc1cccc(C[NH2+][C@@H](C)CN(C)C(=O)CC[NH+](C)C)c1 ZINC001425638125 957590606 /nfs/dbraw/zinc/59/06/06/957590606.db2.gz OJJWFUBWNQGTMB-HNNXBMFYSA-N 2 0 291.439 1.883 10 0 CDAERP CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1cnc(C)o1)[NH+](C)C ZINC001425661271 957594232 /nfs/dbraw/zinc/59/42/32/957594232.db2.gz RNFJGPBVBJMKNL-RISCZKNCSA-N 2 0 296.415 1.260 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CCCF)[C@@H]1C ZINC001425938755 957645788 /nfs/dbraw/zinc/64/57/88/957645788.db2.gz NFPLDUNCFVHASL-KGLIPLIRSA-N 2 0 287.423 1.655 10 0 CDAERP C[NH+](C)CCCCC(=O)N[C@H]1CCC[N@H+](CC2CC2)C1 ZINC001317987238 957838667 /nfs/dbraw/zinc/83/86/67/957838667.db2.gz FXMIBEBLSJEWPY-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP Cc1cccnc1C[NH2+][C@H](C)CCNC(=O)CC[NH+](C)C ZINC001480791564 957928663 /nfs/dbraw/zinc/92/86/63/957928663.db2.gz ZOJQRHLBDOJVJX-CQSZACIVSA-N 2 0 292.427 1.326 10 0 CDAERP CC[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC1CC1 ZINC001318570595 958177321 /nfs/dbraw/zinc/17/73/21/958177321.db2.gz PPHHEXSQSDURIG-GXTWGEPZSA-N 2 0 267.417 1.223 10 0 CDAERP CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001318805308 958269091 /nfs/dbraw/zinc/26/90/91/958269091.db2.gz ODDPZWBXACSMFE-GJZGRUSLSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)C[NH2+]CCC1CC1 ZINC001319249076 958458111 /nfs/dbraw/zinc/45/81/11/958458111.db2.gz FJIPCOYNPUHMIN-AWEZNQCLSA-N 2 0 295.471 1.860 10 0 CDAERP CC(C)[NH2+]C1(CNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001368033132 958593790 /nfs/dbraw/zinc/59/37/90/958593790.db2.gz FPCSGCYPAUXBBZ-UHFFFAOYSA-N 2 0 281.444 1.899 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CCOC)C1 ZINC001319515681 958605541 /nfs/dbraw/zinc/60/55/41/958605541.db2.gz RRFHGCJXYWORBR-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@H](C[NH2+]CC1CCCC1)N(C)C(=O)CC[NH+](C)C ZINC001319526603 958611694 /nfs/dbraw/zinc/61/16/94/958611694.db2.gz XUTFDRBCMNKKCN-CYBMUJFWSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccccc1 ZINC001371139891 972384581 /nfs/dbraw/zinc/38/45/81/972384581.db2.gz NAWJGBOMFSKCPT-HIFRSBDPSA-N 2 0 275.396 1.375 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CC)CCO1 ZINC001368509553 958909856 /nfs/dbraw/zinc/90/98/56/958909856.db2.gz KXXPVTVLLYTGNM-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CC)CCO1 ZINC001368509551 958911192 /nfs/dbraw/zinc/91/11/92/958911192.db2.gz KXXPVTVLLYTGNM-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@@H]1CCC[C@H]1C[NH2+]C/C=C/Cl ZINC001320188692 958996417 /nfs/dbraw/zinc/99/64/17/958996417.db2.gz ZSXYMTVPPWORRP-QFVHEQCKSA-N 2 0 299.846 1.709 10 0 CDAERP CCCCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001320373910 959129596 /nfs/dbraw/zinc/12/95/96/959129596.db2.gz XPEZSJISPYSDGP-UONOGXRCSA-N 2 0 269.433 1.755 10 0 CDAERP Cc1nocc1C[NH2+][C@@H](C)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001368919916 959250253 /nfs/dbraw/zinc/25/02/53/959250253.db2.gz ZQYHVWMDQFCLBV-RYUDHWBXSA-N 2 0 294.399 1.062 10 0 CDAERP CC(C)CC[NH2+][C@H](C)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001369156154 959488369 /nfs/dbraw/zinc/48/83/69/959488369.db2.gz RWVMXRXIIBGLQF-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001369248714 959577132 /nfs/dbraw/zinc/57/71/32/959577132.db2.gz PVDSLRZQETXQGU-RBSFLKMASA-N 2 0 283.460 1.809 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001321746692 959929692 /nfs/dbraw/zinc/92/96/92/959929692.db2.gz NGISQIJMOOVAFA-HUUCEWRRSA-N 2 0 299.459 1.095 10 0 CDAERP Cc1ccccc1C[NH2+][C@@H](C)CNC(=O)CC[NH+](C)C ZINC001371341584 972479484 /nfs/dbraw/zinc/47/94/84/972479484.db2.gz CCFACNGSDMICQN-AWEZNQCLSA-N 2 0 277.412 1.541 10 0 CDAERP CO[C@@H](C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001370904676 960230906 /nfs/dbraw/zinc/23/09/06/960230906.db2.gz BNOBAFFVKLLVQJ-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP CCC[NH2+]C[C@@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001322998518 960398492 /nfs/dbraw/zinc/39/84/92/960398492.db2.gz AXSWANUDMMNENN-LSDHHAIUSA-N 2 0 279.428 1.223 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@@H](C[NH2+]CCCF)C2CC2)C1 ZINC001323063190 960426895 /nfs/dbraw/zinc/42/68/95/960426895.db2.gz KWTFKESGTNOLCH-OCCSQVGLSA-N 2 0 285.407 1.172 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N[C@@H](C[NH2+]CCCF)C2CC2)C1 ZINC001323095184 960446280 /nfs/dbraw/zinc/44/62/80/960446280.db2.gz WCBFIALOPRQENM-OCCSQVGLSA-N 2 0 285.407 1.172 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001323095177 960446705 /nfs/dbraw/zinc/44/67/05/960446705.db2.gz WANPMJRQWPBGBL-JSGCOSHPSA-N 2 0 297.418 1.315 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]CCCF)CC1 ZINC001495466378 972510232 /nfs/dbraw/zinc/51/02/32/972510232.db2.gz HMKRGRPHGGPTKE-JOCQHMNTSA-N 2 0 273.396 1.315 10 0 CDAERP CCC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]1CC=C(C)C ZINC001323339445 960662757 /nfs/dbraw/zinc/66/27/57/960662757.db2.gz GMDYTKBUTKBFAG-OAHLLOKOSA-N 2 0 281.444 1.875 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001418640878 960842259 /nfs/dbraw/zinc/84/22/59/960842259.db2.gz LXFMIHITTLTEHM-BYNSBNAKSA-N 2 0 299.434 1.703 10 0 CDAERP CCC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C[C@H](F)CC ZINC001418706444 960928534 /nfs/dbraw/zinc/92/85/34/960928534.db2.gz AINHBRGMITUKKF-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001418880865 961125745 /nfs/dbraw/zinc/12/57/45/961125745.db2.gz AFBXDPWRPXPQEK-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCOC)C[C@H]1C ZINC001324096445 961160966 /nfs/dbraw/zinc/16/09/66/961160966.db2.gz BCKYUOBJGOWSFU-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP CC[N@H+](C)CCC(=O)NCC1C[NH+](CC2CC(C)(C)C2)C1 ZINC001419037582 961290704 /nfs/dbraw/zinc/29/07/04/961290704.db2.gz BPUJTTDCWUJNTM-UHFFFAOYSA-N 2 0 295.471 1.812 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCCCO2)C1 ZINC001419488269 961755228 /nfs/dbraw/zinc/75/52/28/961755228.db2.gz FXDIORBSIZBCJR-QLFBSQMISA-N 2 0 297.443 1.134 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCCC1 ZINC001419596332 961855256 /nfs/dbraw/zinc/85/52/56/961855256.db2.gz QTUHXJAMYWRMGU-ZIAGYGMSSA-N 2 0 299.434 1.847 10 0 CDAERP CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001436332437 962189177 /nfs/dbraw/zinc/18/91/77/962189177.db2.gz ZINLMJIERHJVTF-GJZGRUSLSA-N 2 0 281.444 1.661 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001436365965 962206764 /nfs/dbraw/zinc/20/67/64/962206764.db2.gz PEBUSGNQBHJRDX-GASCZTMLSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)OCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C ZINC001436487152 962278871 /nfs/dbraw/zinc/27/88/71/962278871.db2.gz CQHYYBNPWDQHTB-CABCVRRESA-N 2 0 299.459 1.331 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2nocc2C)C1)[NH+](C)C ZINC001436895482 962485569 /nfs/dbraw/zinc/48/55/69/962485569.db2.gz AFYRHAIZQKHZSY-YRGRVCCFSA-N 2 0 294.399 1.060 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cscn2)C1 ZINC001436978083 962537051 /nfs/dbraw/zinc/53/70/51/962537051.db2.gz NQLFSHLHQYEAGT-TXEJJXNPSA-N 2 0 296.440 1.220 10 0 CDAERP CC[C@H](F)C[NH2+][C@@H](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001437391600 962852870 /nfs/dbraw/zinc/85/28/70/962852870.db2.gz JGTGFMBOKPSQCD-KBPBESRZSA-N 2 0 299.434 1.847 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH+](C)CC1CCC1 ZINC001437567085 963021856 /nfs/dbraw/zinc/02/18/56/963021856.db2.gz WKPZMOWEKFOYLG-OKILXGFUSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001420584595 963091812 /nfs/dbraw/zinc/09/18/12/963091812.db2.gz WHNTWLXIAYFNFI-ARFHVFGLSA-N 2 0 293.455 1.802 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+](CC[C@H](C)F)C1 ZINC001437728718 963146584 /nfs/dbraw/zinc/14/65/84/963146584.db2.gz YQHQUHIGHNLINQ-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)CCC[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001420661727 963169444 /nfs/dbraw/zinc/16/94/44/963169444.db2.gz OZMHHVWUSPJSDK-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001437943655 963251519 /nfs/dbraw/zinc/25/15/19/963251519.db2.gz MWDXKJDJESUXME-HNNXBMFYSA-N 2 0 283.460 1.812 10 0 CDAERP C[C@H](CC(=O)NC[C@H]1CC[N@@H+]1CC1CCC1)n1ccnc1 ZINC001420875696 963322488 /nfs/dbraw/zinc/32/24/88/963322488.db2.gz VFSHBNOKDKRXGK-UKRRQHHQSA-N 2 0 290.411 1.825 10 0 CDAERP C[C@@H](C(=O)N1CCN(C2CC2)C[C@H]1C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001420976513 963398267 /nfs/dbraw/zinc/39/82/67/963398267.db2.gz QEMXDYPVVWAMCU-BARDWOONSA-N 2 0 293.455 1.943 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[NH2+]CC1CC1 ZINC001438300831 963412475 /nfs/dbraw/zinc/41/24/75/963412475.db2.gz HPYMIYCIHSYSIY-GJZGRUSLSA-N 2 0 281.444 1.754 10 0 CDAERP CC(C)CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCCC1 ZINC001421214985 963504002 /nfs/dbraw/zinc/50/40/02/963504002.db2.gz WWIZATOHVXIHGP-HOTGVXAUSA-N 2 0 293.455 1.804 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001438688568 963527723 /nfs/dbraw/zinc/52/77/23/963527723.db2.gz JBLIYCPEIJSZDY-OCCSQVGLSA-N 2 0 287.423 1.513 10 0 CDAERP CC[C@@H](C[NH2+]C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1)OC ZINC001439138988 963652524 /nfs/dbraw/zinc/65/25/24/963652524.db2.gz LXSCPYTYUVXORI-KGLIPLIRSA-N 2 0 299.459 1.380 10 0 CDAERP CC(C)C[NH2+]C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001439479508 963771108 /nfs/dbraw/zinc/77/11/08/963771108.db2.gz LWFVHNMPPRNSED-ZFWWWQNUSA-N 2 0 281.444 1.469 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001440425659 964039530 /nfs/dbraw/zinc/03/95/30/964039530.db2.gz GVAYJJOPXZIADR-KBPBESRZSA-N 2 0 287.423 1.609 10 0 CDAERP CCC1([NH2+]CCF)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001440517516 964098362 /nfs/dbraw/zinc/09/83/62/964098362.db2.gz PWJORFOCLYVCAO-ZIAGYGMSSA-N 2 0 299.434 1.657 10 0 CDAERP CC[NH2+][C@H](C)[C@@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001440835211 964202965 /nfs/dbraw/zinc/20/29/65/964202965.db2.gz KZYHYYFQIFWMCM-ZIAGYGMSSA-N 2 0 291.439 1.907 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CCc1ccccc1 ZINC001440962085 964292883 /nfs/dbraw/zinc/29/28/83/964292883.db2.gz ICWQQBCOYNXGBS-OAHLLOKOSA-N 2 0 291.439 1.617 10 0 CDAERP COCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001441030744 964338346 /nfs/dbraw/zinc/33/83/46/964338346.db2.gz GKFQLTIVSBYBGW-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP CCCC[NH+]1CC([C@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001441180012 964408747 /nfs/dbraw/zinc/40/87/47/964408747.db2.gz AROFWYUQTYLUNH-KBPBESRZSA-N 2 0 281.444 1.565 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H](C)C1C[NH+](CC2CCCC2)C1 ZINC001441214965 964422559 /nfs/dbraw/zinc/42/25/59/964422559.db2.gz OHJNWZOELDKVSL-AWEZNQCLSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001441404137 964499472 /nfs/dbraw/zinc/49/94/72/964499472.db2.gz NFDKGLVYGNHCLM-CYDGBPFRSA-N 2 0 273.396 1.312 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001441604388 964611396 /nfs/dbraw/zinc/61/13/96/964611396.db2.gz ZVGBLHVUFHSMAN-AWEZNQCLSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)CC[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001441951932 964803638 /nfs/dbraw/zinc/80/36/38/964803638.db2.gz VGDFBPQPOQQQKW-ILXRZTDVSA-N 2 0 283.460 1.857 10 0 CDAERP CC[N@H+](C)C[C@H](O)CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001442054248 964846322 /nfs/dbraw/zinc/84/63/22/964846322.db2.gz IHZBPAVDBTWGBI-AWEZNQCLSA-N 2 0 299.459 1.022 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC001346694871 965218414 /nfs/dbraw/zinc/21/84/14/965218414.db2.gz ISDZUBSOCWDGSB-CABCVRRESA-N 2 0 292.427 1.126 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCC[NH+]2CC2CC2)C1 ZINC001442809936 965226413 /nfs/dbraw/zinc/22/64/13/965226413.db2.gz MKOGLIWSYHQVJQ-GJZGRUSLSA-N 2 0 279.428 1.319 10 0 CDAERP CC[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)c1ccccc1 ZINC001443148273 965370587 /nfs/dbraw/zinc/37/05/87/965370587.db2.gz ZDXUMSMMJVHAAZ-HNNXBMFYSA-N 2 0 275.396 1.549 10 0 CDAERP C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C[NH2+]CC1CC1 ZINC001444321529 965792226 /nfs/dbraw/zinc/79/22/26/965792226.db2.gz DLTGLBFNKRMHSQ-ZFWWWQNUSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H](C)N(C)C(=O)CCN1CCOCC1 ZINC001444681384 965921528 /nfs/dbraw/zinc/92/15/28/965921528.db2.gz FVGXJVHTDYFFGL-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP CN(CC[N@H+](C)CCCF)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001445060429 966080261 /nfs/dbraw/zinc/08/02/61/966080261.db2.gz BEIQZIHZVMKKFU-CYBMUJFWSA-N 2 0 273.396 1.078 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@H]2CCCC[C@@H]2[NH3+])C1 ZINC001349473021 966359069 /nfs/dbraw/zinc/35/90/69/966359069.db2.gz LDOARLSYGFMQKV-FZKCQIBNSA-N 2 0 295.471 1.988 10 0 CDAERP C[C@]1(NC(=O)C[NH+]2CCCC2)CC[N@H+](CC2CCC2)C1 ZINC001446555469 966581329 /nfs/dbraw/zinc/58/13/29/966581329.db2.gz GDWJGWBLXALBGB-INIZCTEOSA-N 2 0 279.428 1.463 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC1(C)CC[NH+](CCF)CC1 ZINC001446672577 966612463 /nfs/dbraw/zinc/61/24/63/966612463.db2.gz QDNDEOCPCIERPA-UHFFFAOYSA-N 2 0 287.423 1.514 10 0 CDAERP C[NH+](C)CCC(=O)NCC1([NH2+]CC[C@@H]2CCCO2)CCC1 ZINC001447233121 966729356 /nfs/dbraw/zinc/72/93/56/966729356.db2.gz ZLALVGXQQBKNIC-AWEZNQCLSA-N 2 0 297.443 1.136 10 0 CDAERP CC(C)C[NH+]1CC([C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001448342727 967078641 /nfs/dbraw/zinc/07/86/41/967078641.db2.gz OLPJTVIJDIVUFJ-KGLIPLIRSA-N 2 0 281.444 1.421 10 0 CDAERP CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001448601640 967168041 /nfs/dbraw/zinc/16/80/41/967168041.db2.gz IHVZNWWFXBMEKU-HUUCEWRRSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC001543264778 967287054 /nfs/dbraw/zinc/28/70/54/967287054.db2.gz HLQYLAVBOMCHHJ-QWHCGFSZSA-N 2 0 255.406 1.032 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC001449654050 967520438 /nfs/dbraw/zinc/52/04/38/967520438.db2.gz HMVWRVKCPLUKDQ-CYBMUJFWSA-N 2 0 281.444 1.707 10 0 CDAERP Cc1nc(F)ccc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000848562011 969174196 /nfs/dbraw/zinc/17/41/96/969174196.db2.gz FKBPXULVBPETPM-BJHJDKERSA-N 2 0 251.349 1.959 10 0 CDAERP COc1ccccc1CNC(=[NH2+])NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000849048411 969436914 /nfs/dbraw/zinc/43/69/14/969436914.db2.gz DASHPASRXOTECZ-XBXGTLAGSA-N 2 0 290.411 1.649 10 0 CDAERP CN(C)C(=O)C[N@@H+]1CCC[C@@H](c2cncn2C(C)(C)C)C1 ZINC001460969461 969578031 /nfs/dbraw/zinc/57/80/31/969578031.db2.gz BDNCWLCASDMERT-CYBMUJFWSA-N 2 0 292.427 1.906 10 0 CDAERP O=C(CC[N@H+]1CC[C@@H](F)C1)NCCC[NH+]1CCCCCC1 ZINC001463767993 969750865 /nfs/dbraw/zinc/75/08/65/969750865.db2.gz ZBFROCJLAHZGDP-OAHLLOKOSA-N 2 0 299.434 1.803 10 0 CDAERP C[C@H]([NH3+])c1cn([C@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000849151263 969909564 /nfs/dbraw/zinc/90/95/64/969909564.db2.gz YOLHNUYBLDAEIK-JSGCOSHPSA-N 2 0 271.368 1.745 10 0 CDAERP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CC[NH+]1CC[C@@H](F)C1 ZINC001361680148 970413025 /nfs/dbraw/zinc/41/30/25/970413025.db2.gz OKXFRQMCSYCVIJ-RBSFLKMASA-N 2 0 299.434 1.657 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001495785134 972631286 /nfs/dbraw/zinc/63/12/86/972631286.db2.gz IXAFIIQOOMJRSF-OLZOCXBDSA-N 2 0 285.407 1.172 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001495785137 972631481 /nfs/dbraw/zinc/63/14/81/972631481.db2.gz IXAFIIQOOMJRSF-STQMWFEESA-N 2 0 285.407 1.172 10 0 CDAERP CC(C)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001371765942 972631553 /nfs/dbraw/zinc/63/15/53/972631553.db2.gz XCCZRGCUJAUKGH-CABCVRRESA-N 2 0 283.460 2.000 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)[C@H]2CC[N@@H+]2CC)CC1 ZINC001417626458 973211569 /nfs/dbraw/zinc/21/15/69/973211569.db2.gz RRDLPUNAAKXMDA-OAHLLOKOSA-N 2 0 281.444 1.661 10 0 CDAERP C[C@H](CC[NH2+]CC1CC1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001497269036 973270085 /nfs/dbraw/zinc/27/00/85/973270085.db2.gz SUVYNXYMFWSKSS-CYBMUJFWSA-N 2 0 283.460 1.859 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC[C@H](C)F)C1 ZINC001418045758 973546676 /nfs/dbraw/zinc/54/66/76/973546676.db2.gz LSVVMDIUWKVCFA-STQMWFEESA-N 2 0 273.396 1.267 10 0 CDAERP Cc1cccnc1C[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001497984422 973599056 /nfs/dbraw/zinc/59/90/56/973599056.db2.gz ZPWDAUQMBFXCSL-CQSZACIVSA-N 2 0 290.411 1.080 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CCCC1 ZINC001373828345 973658626 /nfs/dbraw/zinc/65/86/26/973658626.db2.gz CNQARTDXECTQAU-HUUCEWRRSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]Cc1conc1C ZINC001373836171 973662878 /nfs/dbraw/zinc/66/28/78/973662878.db2.gz OKDABNLLSOWWDR-CQSZACIVSA-N 2 0 296.415 1.308 10 0 CDAERP C[C@@H](C[NH2+]CCC1CC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001498098646 973679644 /nfs/dbraw/zinc/67/96/44/973679644.db2.gz KROURGDOTVRRHI-YDHLFZDLSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]Cc1cncs1 ZINC001374052933 973751319 /nfs/dbraw/zinc/75/13/19/973751319.db2.gz NVGAOJYZKPOOPY-DGCLKSJQSA-N 2 0 296.440 1.079 10 0 CDAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]CC1CCCC1 ZINC001374095219 973774636 /nfs/dbraw/zinc/77/46/36/973774636.db2.gz CDYNFBAIZKYWSY-CQSZACIVSA-N 2 0 293.455 1.614 10 0 CDAERP CCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001498280083 973805890 /nfs/dbraw/zinc/80/58/90/973805890.db2.gz INEGICPQKOWXRU-KBPBESRZSA-N 2 0 269.433 1.706 10 0 CDAERP CO[C@@H](C)C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCCC1 ZINC001374180852 973809478 /nfs/dbraw/zinc/80/94/78/973809478.db2.gz UPIWNXOFLUMFDY-AWEZNQCLSA-N 2 0 297.443 1.136 10 0 CDAERP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001418418527 973811826 /nfs/dbraw/zinc/81/18/26/973811826.db2.gz FUOAPRWWWJSNFZ-ZIAGYGMSSA-N 2 0 299.459 1.238 10 0 CDAERP C[C@@H](C[N@H+](C)CCc1cccs1)NC(=O)CC[NH+](C)C ZINC001375098091 974258110 /nfs/dbraw/zinc/25/81/10/974258110.db2.gz ZVJIPVUMZMBUJH-ZDUSSCGKSA-N 2 0 297.468 1.679 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@]2(CC[N@H+](C/C=C\Cl)C2)C1 ZINC001499611466 974274568 /nfs/dbraw/zinc/27/45/68/974274568.db2.gz ZZJHQKJYVMDFGT-FTWHOSCRSA-N 2 0 299.846 1.615 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001499920337 974336290 /nfs/dbraw/zinc/33/62/90/974336290.db2.gz BYYKVQWITRYMEJ-KGLIPLIRSA-N 2 0 299.434 1.657 10 0 CDAERP CC1CCC(C[N@@H+]2CC[C@@H]2CNC(=O)CC[NH+](C)C)CC1 ZINC001375338737 974344014 /nfs/dbraw/zinc/34/40/14/974344014.db2.gz GFCPSGRYQXQXNO-UYSNPLJNSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001375375991 974358942 /nfs/dbraw/zinc/35/89/42/974358942.db2.gz PUSGVOQYSLTLTM-CVEARBPZSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001375532563 974415966 /nfs/dbraw/zinc/41/59/66/974415966.db2.gz ZHWCKMFOFIRENN-KJWHEZOQSA-N 2 0 299.434 1.559 10 0 CDAERP C[NH+](C)CCCC(=O)N1CC[C@](C)(C[NH2+]CCC2CC2)C1 ZINC001500374225 974428555 /nfs/dbraw/zinc/42/85/55/974428555.db2.gz IMGGJKKNZFRGRQ-QGZVFWFLSA-N 2 0 295.471 1.957 10 0 CDAERP C[NH+]1CCC(C(=O)N2CC[C@](C)(C[NH2+]CCCF)C2)CC1 ZINC001500377013 974429515 /nfs/dbraw/zinc/42/95/15/974429515.db2.gz YMMMEYDFNIDWSO-MRXNPFEDSA-N 2 0 299.434 1.516 10 0 CDAERP CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001376022036 974535503 /nfs/dbraw/zinc/53/55/03/974535503.db2.gz NFYCAAVERYFNQB-HUUCEWRRSA-N 2 0 281.444 1.851 10 0 CDAERP C[NH+]1CCC(CC(=O)N2CCCC[C@@H]2C[NH2+]CCF)CC1 ZINC001501890000 974653262 /nfs/dbraw/zinc/65/32/62/974653262.db2.gz PUYDQGPRVYXXBP-OAHLLOKOSA-N 2 0 299.434 1.659 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001376465421 974668786 /nfs/dbraw/zinc/66/87/86/974668786.db2.gz QPEMTWNVTWOGML-MCIONIFRSA-N 2 0 297.418 1.600 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCF ZINC001376514191 974678436 /nfs/dbraw/zinc/67/84/36/974678436.db2.gz PPZYZDCFKFVPGA-KGLIPLIRSA-N 2 0 285.407 1.363 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001376568715 974689011 /nfs/dbraw/zinc/68/90/11/974689011.db2.gz JNUOARHHLDIPRE-GJZGRUSLSA-N 2 0 299.434 1.659 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCC[NH+](CCF)CC1 ZINC001502125479 974700587 /nfs/dbraw/zinc/70/05/87/974700587.db2.gz DETASQURKLLLOG-HUUCEWRRSA-N 2 0 299.434 1.801 10 0 CDAERP CN(CCC[N@H+](C)CC1CCCC1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001502396994 974732079 /nfs/dbraw/zinc/73/20/79/974732079.db2.gz MQQONYOBPMCBIR-INIZCTEOSA-N 2 0 295.471 1.909 10 0 CDAERP CC(C)[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001376741417 974751179 /nfs/dbraw/zinc/75/11/79/974751179.db2.gz CRZCYPXLKGPGKE-ZFWWWQNUSA-N 2 0 281.444 1.896 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH2+]CC3CC3)CCC2)C1 ZINC001376809865 974779334 /nfs/dbraw/zinc/77/93/34/974779334.db2.gz OOWWAWPOOGZSHM-AWEZNQCLSA-N 2 0 279.428 1.367 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NCC[C@H](C)[NH2+]C[C@H]1CCCCO1 ZINC001377112797 974888773 /nfs/dbraw/zinc/88/87/73/974888773.db2.gz RCAGKYZMTBTCEW-LSDHHAIUSA-N 2 0 299.459 1.380 10 0 CDAERP COCC[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001505605519 974933695 /nfs/dbraw/zinc/93/36/95/974933695.db2.gz GILJJSVCHWWPBH-KGLIPLIRSA-N 2 0 299.459 1.380 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)C[C@@H]1CC(C)(C)CO1 ZINC001377274672 974954156 /nfs/dbraw/zinc/95/41/56/974954156.db2.gz OLPNGISEUMGBMD-AWEZNQCLSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CCC1CCCC1 ZINC001377282031 974954893 /nfs/dbraw/zinc/95/48/93/974954893.db2.gz VEBCRDVMPMALMM-GOEBONIOSA-N 2 0 295.471 1.955 10 0 CDAERP CCc1nocc1C[NH2+][C@H](C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001505684395 974962335 /nfs/dbraw/zinc/96/23/35/974962335.db2.gz AWLKDBMLXHIXGA-NEPJUHHUSA-N 2 0 296.415 1.172 10 0 CDAERP Cc1ncccc1C[NH2+][C@H](C)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001505687023 974963752 /nfs/dbraw/zinc/96/37/52/974963752.db2.gz YBCYSSSYORELHB-CHWSQXEVSA-N 2 0 292.427 1.325 10 0 CDAERP C[C@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)[NH2+]CC1CCC1 ZINC001505733500 974977061 /nfs/dbraw/zinc/97/70/61/974977061.db2.gz UFVMEDYVGMLKHI-STQMWFEESA-N 2 0 279.428 1.365 10 0 CDAERP CCOCC[NH2+]C1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001505784503 974988943 /nfs/dbraw/zinc/98/89/43/974988943.db2.gz LTWSIPVLOCSVME-UHFFFAOYSA-N 2 0 299.459 1.334 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001377363615 974989335 /nfs/dbraw/zinc/98/93/35/974989335.db2.gz YUTMEEBEYPWLAG-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)C[C@@H]1CCCCO1 ZINC001506065921 975106433 /nfs/dbraw/zinc/10/64/33/975106433.db2.gz YOLMVLGKIZIZTD-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC2(C[NH2+]CCF)CCCCC2)C1 ZINC001506523595 975173711 /nfs/dbraw/zinc/17/37/11/975173711.db2.gz XGKNLSUWBMGHOR-AWEZNQCLSA-N 2 0 299.434 1.706 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC1(C[NH2+]CCCO)CCCCC1 ZINC001506531961 975174444 /nfs/dbraw/zinc/17/44/44/975174444.db2.gz RFIZSUAFMLNTOP-UHFFFAOYSA-N 2 0 299.459 1.118 10 0 CDAERP CCCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001506749200 975216369 /nfs/dbraw/zinc/21/63/69/975216369.db2.gz PNIXMDJEHWVHSW-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP CC[NH2+]CCC[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001506950049 975269658 /nfs/dbraw/zinc/26/96/58/975269658.db2.gz CPBNPJAMMHNRBE-CQSZACIVSA-N 2 0 269.433 1.757 10 0 CDAERP C[C@@H](CCC[NH2+]CC1CC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001506946351 975269739 /nfs/dbraw/zinc/26/97/39/975269739.db2.gz KQJIXXAGRYDGQQ-ZFWWWQNUSA-N 2 0 281.444 1.613 10 0 CDAERP Cc1ccncc1C[NH2+][C@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001507118195 975343525 /nfs/dbraw/zinc/34/35/25/975343525.db2.gz MEWKJPHICLUNKP-CQSZACIVSA-N 2 0 292.427 1.278 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001378510787 975370304 /nfs/dbraw/zinc/37/03/04/975370304.db2.gz HIWCUTUHNPTQIV-RBSFLKMASA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CC2CC2)CC1(C)C)[NH+](C)C ZINC001378655503 975432900 /nfs/dbraw/zinc/43/29/00/975432900.db2.gz QSPLKMMGNWHIAZ-HUUCEWRRSA-N 2 0 295.471 1.809 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)CC[NH+](C)C)CCCC1 ZINC001378718953 975453813 /nfs/dbraw/zinc/45/38/13/975453813.db2.gz UCEYCOKKLRIOHF-CYBMUJFWSA-N 2 0 287.423 1.705 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@H](C)C[NH2+]CC2CC2)C1 ZINC001378824990 975506662 /nfs/dbraw/zinc/50/66/62/975506662.db2.gz TWEHMCYGDBDSAW-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001378853166 975517509 /nfs/dbraw/zinc/51/75/09/975517509.db2.gz SWTWHCSEBYKLEC-IHRRRGAJSA-N 2 0 299.434 1.561 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC2CC(C)C2)C1)[NH+](C)C ZINC001378868954 975523785 /nfs/dbraw/zinc/52/37/85/975523785.db2.gz JEVIZFKPAXBCIJ-XJCPWDRGSA-N 2 0 295.471 1.857 10 0 CDAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccn1 ZINC001405343712 975717981 /nfs/dbraw/zinc/71/79/81/975717981.db2.gz LWOXBOTZTUNHQP-KBPBESRZSA-N 2 0 290.411 1.018 10 0 CDAERP CC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)[NH2+]Cc1cncs1 ZINC001405358987 975723985 /nfs/dbraw/zinc/72/39/85/975723985.db2.gz QZGFLWLZKSPFIU-YPMHNXCESA-N 2 0 298.456 1.468 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC2CC2)[C@@H]1C ZINC001397804805 975728905 /nfs/dbraw/zinc/72/89/05/975728905.db2.gz XYMFWDXIEHDAJH-HIFRSBDPSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001379416304 975825475 /nfs/dbraw/zinc/82/54/75/975825475.db2.gz KIKVJRGYDDXJSM-CHWSQXEVSA-N 2 0 289.439 1.807 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CC1CCCC1)[NH+](C)C ZINC001401793107 975921983 /nfs/dbraw/zinc/92/19/83/975921983.db2.gz BFMIMIDDWWDTDL-ZFWWWQNUSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[NH2+][C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001398392446 975969264 /nfs/dbraw/zinc/96/92/64/975969264.db2.gz KPYUAVSEPBKXEC-HUUCEWRRSA-N 2 0 281.444 1.754 10 0 CDAERP Cc1cc(C[NH2+][C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)sn1 ZINC001398555555 976041293 /nfs/dbraw/zinc/04/12/93/976041293.db2.gz OIJNLRDDBJZPPS-HAQNSBGRSA-N 2 0 296.440 1.140 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccsc1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001406485818 976220104 /nfs/dbraw/zinc/22/01/04/976220104.db2.gz NLNXYZHNEBSPGH-GXTWGEPZSA-N 2 0 295.452 1.827 10 0 CDAERP Cc1ccncc1C[NH2+]C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001406559504 976255355 /nfs/dbraw/zinc/25/53/55/976255355.db2.gz JBQZQJQMSBMIPB-AWEZNQCLSA-N 2 0 290.411 1.080 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C)C1CC[NH+](CCOC)CC1)[NH+](C)C ZINC001380135755 976257083 /nfs/dbraw/zinc/25/70/83/976257083.db2.gz YGNFRRNOMCCOFO-HIFRSBDPSA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)[NH2+]CC=C(Cl)Cl)[NH+](C)C ZINC001398979564 976277157 /nfs/dbraw/zinc/27/71/57/976277157.db2.gz NIFOLLNXIFJURU-NXEZZACHSA-N 2 0 296.242 1.740 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(CF)cc1 ZINC001390468155 976310916 /nfs/dbraw/zinc/31/09/16/976310916.db2.gz OKEMPNSBOZOKQT-ZDUSSCGKSA-N 2 0 295.402 1.702 10 0 CDAERP CO[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001402497113 976315193 /nfs/dbraw/zinc/31/51/93/976315193.db2.gz VJTXWLYFMQODPT-AJNGGQMLSA-N 2 0 297.443 1.133 10 0 CDAERP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC2CC2)C1)[NH+](CC)CC ZINC001399188251 976377653 /nfs/dbraw/zinc/37/76/53/976377653.db2.gz YKIVRCSOHKYNJH-GJZGRUSLSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001390596088 976383382 /nfs/dbraw/zinc/38/33/82/976383382.db2.gz KATHEHHYSJJJSQ-GJZGRUSLSA-N 2 0 283.460 1.812 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC2)C1 ZINC001402596579 976387149 /nfs/dbraw/zinc/38/71/49/976387149.db2.gz JPMDTPLZJHJGMB-OWCLPIDISA-N 2 0 293.455 1.898 10 0 CDAERP CC(C)CC[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001390617917 976392811 /nfs/dbraw/zinc/39/28/11/976392811.db2.gz CNGRBIMUZNUIHV-HNNXBMFYSA-N 2 0 283.460 1.907 10 0 CDAERP CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]CC2CC2)C1)[NH+](CC)CC ZINC001399250124 976395913 /nfs/dbraw/zinc/39/59/13/976395913.db2.gz YDTIVZCUBFTEKY-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP CCC(CC)C[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001406783180 976405323 /nfs/dbraw/zinc/40/53/23/976405323.db2.gz GZKLHMIVMWNIQY-HOTGVXAUSA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001406843731 976433008 /nfs/dbraw/zinc/43/30/08/976433008.db2.gz JMSPATZCQMQIJL-CQSZACIVSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001406897791 976466670 /nfs/dbraw/zinc/46/66/70/976466670.db2.gz GMBMGGUKKXWTNO-OLZOCXBDSA-N 2 0 271.380 1.021 10 0 CDAERP CC[C@H](F)C[NH2+]C1(CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001406970818 976497570 /nfs/dbraw/zinc/49/75/70/976497570.db2.gz CICAZHMUMVLAGW-AWEZNQCLSA-N 2 0 299.434 1.705 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001390812612 976532381 /nfs/dbraw/zinc/53/23/81/976532381.db2.gz IRNLZMHOXZRUKW-RDBSUJKOSA-N 2 0 287.423 1.513 10 0 CDAERP CC(C)CCC[N@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001390842716 976556624 /nfs/dbraw/zinc/55/66/24/976556624.db2.gz BZRKGFDAVXYMLO-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP C[C@@H](F)CC[NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001402991351 976646111 /nfs/dbraw/zinc/64/61/11/976646111.db2.gz DUMWPGKUJATGBL-OLZOCXBDSA-N 2 0 287.423 1.703 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CCC[NH+]1CC1CC1 ZINC001391058864 976668139 /nfs/dbraw/zinc/66/81/39/976668139.db2.gz WOKBSRWAGLXWLO-CVEARBPZSA-N 2 0 293.455 1.851 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1CCOC1CCC1 ZINC001391070422 976673961 /nfs/dbraw/zinc/67/39/61/976673961.db2.gz ZYYRXIFSJPJLDD-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP CCC[N@H+](CCNC(=O)CC[C@H]1CCC[NH+]1C)C1CC1 ZINC001391164257 976738766 /nfs/dbraw/zinc/73/87/66/976738766.db2.gz KSUDZCPGHANBIQ-CQSZACIVSA-N 2 0 281.444 1.851 10 0 CDAERP C[C@H](F)CC[N@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001381305136 976753932 /nfs/dbraw/zinc/75/39/32/976753932.db2.gz YXLUGXCAKBYUNC-UONOGXRCSA-N 2 0 287.423 1.609 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H]([C@H]2CC[N@H+](CCF)C2)C1 ZINC001381316783 976759144 /nfs/dbraw/zinc/75/91/44/976759144.db2.gz YTMVZNGJTPLDJN-CABCVRRESA-N 2 0 299.434 1.468 10 0 CDAERP C[C@@H]([NH2+]CCN(C)C(=O)CC[NH+](C)C)c1ccccc1F ZINC001391220277 976766841 /nfs/dbraw/zinc/76/68/41/976766841.db2.gz QPQCGBCEPCCDDS-CYBMUJFWSA-N 2 0 295.402 1.886 10 0 CDAERP CC[C@@H](F)C[N@H+](C)[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001403169447 976780149 /nfs/dbraw/zinc/78/01/49/976780149.db2.gz LGLXATMZIBACNY-QWHCGFSZSA-N 2 0 287.423 1.513 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1CCC[N@H+](CC[C@H](C)F)C1)[NH+](C)C ZINC001391400782 976860122 /nfs/dbraw/zinc/86/01/22/976860122.db2.gz XKGKCARLJMNLSL-IHRRRGAJSA-N 2 0 287.423 1.655 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC2CCC2)C1 ZINC001408085115 976907355 /nfs/dbraw/zinc/90/73/55/976907355.db2.gz PKQQJCSDXCFEGB-HIFRSBDPSA-N 2 0 281.444 1.563 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@@H]1[C@H]2C[NH+](CCC3CC3)C[C@H]21 ZINC001381935476 977086667 /nfs/dbraw/zinc/08/66/67/977086667.db2.gz OCMQELQIKCIBSX-PHZGNYQRSA-N 2 0 293.455 1.422 10 0 CDAERP Cc1ncsc1C[NH2+][C@@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001403594354 977091068 /nfs/dbraw/zinc/09/10/68/977091068.db2.gz RXJDWMLMMJVYHY-NSHDSACASA-N 2 0 298.456 1.340 10 0 CDAERP CC(C)[NH2+][C@H](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001381996491 977116290 /nfs/dbraw/zinc/11/62/90/977116290.db2.gz OJJIKFNPLZYSSY-HZPDHXFCSA-N 2 0 295.471 1.857 10 0 CDAERP CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1cncs1)[NH+](C)C ZINC001392099849 977218760 /nfs/dbraw/zinc/21/87/60/977218760.db2.gz LHLMEFAWFDEWTB-AAEUAGOBSA-N 2 0 298.456 1.420 10 0 CDAERP CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1conc1C)[NH+](C)C ZINC001392123803 977228128 /nfs/dbraw/zinc/22/81/28/977228128.db2.gz NWWQBQNCNVNFEO-SMDDNHRTSA-N 2 0 296.415 1.260 10 0 CDAERP Cc1nocc1C[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001382311852 977246554 /nfs/dbraw/zinc/24/65/54/977246554.db2.gz JIPIHPMOLOUUTH-SMDDNHRTSA-N 2 0 294.399 1.014 10 0 CDAERP CC(C)[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CCF ZINC001392218354 977267988 /nfs/dbraw/zinc/26/79/88/977267988.db2.gz HXVVDBNAEXIPMB-ZIAGYGMSSA-N 2 0 285.407 1.028 10 0 CDAERP CC(C)CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001392223633 977270746 /nfs/dbraw/zinc/27/07/46/977270746.db2.gz DLOXUKFAXMRCAO-LSDHHAIUSA-N 2 0 283.460 1.857 10 0 CDAERP Cc1ncc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)o1 ZINC001392505415 977465126 /nfs/dbraw/zinc/46/51/26/977465126.db2.gz PVBHKZFJCIIULI-RISCZKNCSA-N 2 0 294.399 1.062 10 0 CDAERP CC[C@H](F)CN1CC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001392877858 977635277 /nfs/dbraw/zinc/63/52/77/977635277.db2.gz PLLPUEVLLVWSIF-LSDHHAIUSA-N 2 0 299.434 1.801 10 0 CDAERP CN(C(=O)CC[NH+](C)C)C1C[NH+](CCCC2CCC2)C1 ZINC001393014849 977677092 /nfs/dbraw/zinc/67/70/92/977677092.db2.gz SCSXHLXYBYRZMW-UHFFFAOYSA-N 2 0 281.444 1.661 10 0 CDAERP CC[C@@H](F)C[N@H+](C)[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001394124843 978076899 /nfs/dbraw/zinc/07/68/99/978076899.db2.gz PGWYVMKHRUGOGJ-QWHCGFSZSA-N 2 0 285.407 1.267 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CCCF ZINC001394139670 978086401 /nfs/dbraw/zinc/08/64/01/978086401.db2.gz PQDOHZXWOOZAFK-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001394321208 978133663 /nfs/dbraw/zinc/13/36/63/978133663.db2.gz URQKNVUNVWULGU-JONQDZQNSA-N 2 0 295.471 1.667 10 0 CDAERP CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001394349151 978138143 /nfs/dbraw/zinc/13/81/43/978138143.db2.gz MEDIOLMJOKJHFX-RRFJBIMHSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CCC(F)(F)F)[NH+](C)C ZINC001394542612 978198843 /nfs/dbraw/zinc/19/88/43/978198843.db2.gz USGCYKKLMUQLOI-GHMZBOCLSA-N 2 0 297.365 1.716 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000810201677 1163180353 /nfs/dbraw/zinc/18/03/53/1163180353.db2.gz LOSGIVCZRNBVTF-MLGOLLRUSA-N 2 0 297.418 1.552 10 0 CDAERP CC(C)=CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001674926415 1174037622 /nfs/dbraw/zinc/03/76/22/1174037622.db2.gz ZOBIWMBWGJFTLM-HOCLYGCPSA-N 2 0 293.455 1.731 10 0 CDAERP CC(C)[NH2+]CCC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001675958840 1174168967 /nfs/dbraw/zinc/16/89/67/1174168967.db2.gz MUJSJUYLCLREFV-ZDUSSCGKSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)[NH+](C)C ZINC001598331425 1174313509 /nfs/dbraw/zinc/31/35/09/1174313509.db2.gz ICTAVTPGJHJESU-JHJVBQTASA-N 2 0 255.406 1.173 10 0 CDAERP CCOCC[NH2+]C1(C)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001570378972 1170148386 /nfs/dbraw/zinc/14/83/86/1170148386.db2.gz AJOVAXISHIIFHN-UHFFFAOYSA-N 2 0 299.459 1.335 10 0 CDAERP CCCC[NH2+]C[C@H](O)CO[C@@H]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000675080172 539085857 /nfs/dbraw/zinc/08/58/57/539085857.db2.gz NWFHEMCJBLDGAS-XQLPTFJDSA-N 2 0 270.417 1.284 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000601270421 342547818 /nfs/dbraw/zinc/54/78/18/342547818.db2.gz QPOVKMCTRBVOFR-ZIAGYGMSSA-N 2 0 282.432 1.254 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCC2(C[NH3+])CC2)[C@@H]2CCC[C@H]21 ZINC000650746960 398173596 /nfs/dbraw/zinc/17/35/96/398173596.db2.gz OKVRPKNDTJZKIK-MELADBBJSA-N 3 0 251.418 1.578 10 0 CDAERP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1cnn(C)c1 ZINC000650758053 398181627 /nfs/dbraw/zinc/18/16/27/398181627.db2.gz HRJLBODVFTXSRF-LBPRGKRZSA-N 2 0 258.369 1.990 10 0 CDAERP CN(CCOC1CCOCC1)CC[C@H]1CCCC[N@@H+]1C ZINC000625188997 342039185 /nfs/dbraw/zinc/03/91/85/342039185.db2.gz IXZJNZBRALTCEL-OAHLLOKOSA-N 2 0 284.444 1.988 10 0 CDAERP C[N@@H+]1CCC[C@H]2C[NH+](CCOC3CCOCC3)CC[C@H]21 ZINC000625221846 342043087 /nfs/dbraw/zinc/04/30/87/342043087.db2.gz CODUTYLDMGVOFF-GOEBONIOSA-N 2 0 282.428 1.598 10 0 CDAERP C[NH+](C)C[C@@H]1CCN(C(=O)NC[C@H]([NH3+])c2ccccc2)C1 ZINC000418426339 282119652 /nfs/dbraw/zinc/11/96/52/282119652.db2.gz JQJXZKLUJFRZIP-ZFWWWQNUSA-N 2 0 290.411 1.280 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000617014788 342607004 /nfs/dbraw/zinc/60/70/04/342607004.db2.gz PLFROPVJJZJZKO-LBPRGKRZSA-N 2 0 255.406 1.316 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000617014106 342607979 /nfs/dbraw/zinc/60/79/79/342607979.db2.gz FVELNWQYKFPLOS-GFCCVEGCSA-N 2 0 255.406 1.317 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC000617003340 342600952 /nfs/dbraw/zinc/60/09/52/342600952.db2.gz ZVSTZRVITZIXDQ-KGLIPLIRSA-N 2 0 281.444 1.565 10 0 CDAERP CS[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1[NH+](C)C ZINC000362963270 295670550 /nfs/dbraw/zinc/67/05/50/295670550.db2.gz KFTWQGRSUMBNIU-KBPBESRZSA-N 2 0 299.484 1.222 10 0 CDAERP Cc1nn2c(CNCC3([NH3+])CCOCC3)c(C)nc2s1 ZINC000629388752 361892653 /nfs/dbraw/zinc/89/26/53/361892653.db2.gz SNGUKQRQNSJYDY-UHFFFAOYSA-N 2 0 295.412 1.005 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC000599311295 344003788 /nfs/dbraw/zinc/00/37/88/344003788.db2.gz LOIBYKQOFSVGLW-KBPBESRZSA-N 2 0 267.417 1.461 10 0 CDAERP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCOCCC[NH3+])CC1 ZINC000629400349 361938006 /nfs/dbraw/zinc/93/80/06/361938006.db2.gz VAVWZCMAOGELHN-RDJZCZTQSA-N 3 0 297.487 1.985 10 0 CDAERP Cc1ccc(N2CCC[C@@H]([NH2+][C@@H]3CCC[NH2+]CC3)C2)nn1 ZINC000333328290 539051798 /nfs/dbraw/zinc/05/17/98/539051798.db2.gz VTPWTVPARQZMRX-HUUCEWRRSA-N 2 0 289.427 1.486 10 0 CDAERP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC2([NH3+])CCOCC2)[C@@H]1C ZINC000600708163 342243215 /nfs/dbraw/zinc/24/32/15/342243215.db2.gz JHWYWYONIJZINK-AGIUHOORSA-N 2 0 284.400 1.062 10 0 CDAERP CCOC(=O)C1([C@H](C)N[C@H]2CC[C@@H](C)[NH2+]C2)CC[NH2+]CC1 ZINC000600710035 342243705 /nfs/dbraw/zinc/24/37/05/342243705.db2.gz NEUJIPYTLDKLML-RDBSUJKOSA-N 2 0 297.443 1.038 10 0 CDAERP C[NH+](C)C1(CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)CCCC1 ZINC000125649980 187194595 /nfs/dbraw/zinc/19/45/95/187194595.db2.gz YYHLVYGWAJTRSB-VXGBXAGGSA-N 2 0 253.390 1.104 10 0 CDAERP C(CC[NH+]1CCOCC1)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166177534 539129174 /nfs/dbraw/zinc/12/91/74/539129174.db2.gz BSGUGLZYTHZNSL-HZPDHXFCSA-N 2 0 281.444 1.315 10 0 CDAERP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000594951154 342982131 /nfs/dbraw/zinc/98/21/31/342982131.db2.gz RXXIKQPMIWRAKD-UUFIZFKYSA-N 2 0 268.401 1.646 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000594915979 342985618 /nfs/dbraw/zinc/98/56/18/342985618.db2.gz ZESNSVARLDCDKX-CDGCEXEKSA-N 2 0 266.385 1.258 10 0 CDAERP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H]2C[C@@H]2C(=O)OC)C1 ZINC000594924934 342988819 /nfs/dbraw/zinc/98/88/19/342988819.db2.gz KUNRSVZRTJIJRW-MQYQWHSLSA-N 2 0 268.401 1.506 10 0 CDAERP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H](C)CC[NH3+])CC2 ZINC000640350214 362048516 /nfs/dbraw/zinc/04/85/16/362048516.db2.gz GMXYQOSSWJNNCU-MJBXVCDLSA-N 2 0 282.432 1.380 10 0 CDAERP Cc1ncc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)o1 ZINC000628210154 362049820 /nfs/dbraw/zinc/04/98/20/362049820.db2.gz IZJSJLLQLFADBJ-UHFFFAOYSA-N 2 0 292.427 1.631 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](c1ccsc1)N(C)C ZINC000422812085 536850376 /nfs/dbraw/zinc/85/03/76/536850376.db2.gz XERJWBGIAJXLNO-KBPBESRZSA-N 2 0 285.457 1.694 10 0 CDAERP CC[NH+]1CCC(Nc2nc(N)[nH+]c3c2CCCC3)CC1 ZINC000645101953 362116502 /nfs/dbraw/zinc/11/65/02/362116502.db2.gz PRXYHTWKLNCQDN-UHFFFAOYSA-N 2 0 275.400 1.086 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1COc2cccc(C)c2C1 ZINC000629512993 362122995 /nfs/dbraw/zinc/12/29/95/362122995.db2.gz DOAHEYZNFHSZMX-UONOGXRCSA-N 2 0 278.396 1.642 10 0 CDAERP COC[C@H]1C[N@H+](C)CC12CC[NH+](Cc1cccnc1)CC2 ZINC000169789847 362141887 /nfs/dbraw/zinc/14/18/87/362141887.db2.gz QWSHLLXCRGZQDG-MRXNPFEDSA-N 2 0 289.423 1.872 10 0 CDAERP C[C@]1(C(=O)NCCC[NH+]2CCCC2)CCCC[NH2+]1 ZINC000136196240 342372342 /nfs/dbraw/zinc/37/23/42/342372342.db2.gz MPWGXSVNPCSCDC-CQSZACIVSA-N 2 0 253.390 1.121 10 0 CDAERP C[NH+]1CCN(CCC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000367617363 290042103 /nfs/dbraw/zinc/04/21/03/290042103.db2.gz QJZVFXAFXQHMGI-BRWVUGGUSA-N 3 0 294.487 1.086 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC000629528852 362155350 /nfs/dbraw/zinc/15/53/50/362155350.db2.gz LBBZTEKXQWQPAS-GFCCVEGCSA-N 2 0 282.384 1.590 10 0 CDAERP CCO[C@H]1C[C@@H]([NH2+]CCOCC[NH2+]C)C12CCCCC2 ZINC000629529627 362159023 /nfs/dbraw/zinc/15/90/23/362159023.db2.gz IXQXABQTIPXEAF-CABCVRRESA-N 2 0 284.444 1.940 10 0 CDAERP C[C@@H]1[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)C[C@@H]1c1ccccc1 ZINC000263162462 362148485 /nfs/dbraw/zinc/14/84/85/362148485.db2.gz DYNUWDNSPTTZIV-WGIXJMRHSA-N 2 0 260.381 1.349 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)[C@@H](C)O1 ZINC000631218528 362203734 /nfs/dbraw/zinc/20/37/34/362203734.db2.gz MXOINTACESCCNM-LALPHHSUSA-N 2 0 272.352 1.923 10 0 CDAERP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000334949063 290685049 /nfs/dbraw/zinc/68/50/49/290685049.db2.gz COVJQMXGHCAKNG-STQMWFEESA-N 2 0 267.417 1.223 10 0 CDAERP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000562958612 293226273 /nfs/dbraw/zinc/22/62/73/293226273.db2.gz CKOGUNFNBSYGKQ-DZGCQCFKSA-N 3 0 253.434 1.696 10 0 CDAERP CN(CC1([NH+](C)C)CCC1)c1nc(N)[nH+]c2c1CCCC2 ZINC000645220419 362442275 /nfs/dbraw/zinc/44/22/75/362442275.db2.gz HEVWJGCRXIFIKJ-UHFFFAOYSA-N 2 0 289.427 1.688 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)C[N@@H+]1C1CC1 ZINC000262641434 344695994 /nfs/dbraw/zinc/69/59/94/344695994.db2.gz KTEVYVKGKFNVFR-XQHKEYJVSA-N 2 0 265.401 1.245 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH+]2CCCC[C@@H]2C)C1 ZINC000553210048 290103395 /nfs/dbraw/zinc/10/33/95/290103395.db2.gz KVHZHCDCHDXQQH-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP COC[C@]1(CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)CCC[NH2+]1 ZINC000566204809 370646370 /nfs/dbraw/zinc/64/63/70/370646370.db2.gz HACBJULGYOEGKJ-GOEBONIOSA-N 2 0 297.443 1.136 10 0 CDAERP CC(C)C[C@@H](CNC(=O)[C@]1(C)CCC[NH2+]1)[NH+](C)C ZINC000079519765 362661916 /nfs/dbraw/zinc/66/19/16/362661916.db2.gz ARANYZJJGLQRNK-JSGCOSHPSA-N 2 0 255.406 1.221 10 0 CDAERP C[C@H](C(=O)N[C@@H]1CCC[N@H+](C)C1)[NH+]1CCCCCC1 ZINC000608356867 345734529 /nfs/dbraw/zinc/73/45/29/345734529.db2.gz WYXIBCPKTKRHRF-ZIAGYGMSSA-N 2 0 267.417 1.461 10 0 CDAERP CCN(C(=O)CCN(C)c1cc[nH+]cc1)[C@H]1CC[N@H+](C)C1 ZINC000617552280 345846910 /nfs/dbraw/zinc/84/69/10/345846910.db2.gz KVWIOHCXWFUNKM-HNNXBMFYSA-N 2 0 290.411 1.461 10 0 CDAERP C[C@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)N1CC[NH+](C)CC1 ZINC000623404169 346172124 /nfs/dbraw/zinc/17/21/24/346172124.db2.gz SCGAVIYNZHQRPS-CABCVRRESA-N 3 0 282.476 1.085 10 0 CDAERP C[C@@H]1COCCN1CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623401577 346163001 /nfs/dbraw/zinc/16/30/01/346163001.db2.gz FDUQJOLZQFGBTJ-ZIAGYGMSSA-N 2 0 269.433 1.170 10 0 CDAERP CC(C)CC[NH+]1CCN(C(=O)[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000085369269 179039044 /nfs/dbraw/zinc/03/90/44/179039044.db2.gz KKFIIGGQDSAVOF-GJZGRUSLSA-N 2 0 281.444 1.694 10 0 CDAERP CC1CC[NH+](CCCNC(=O)[C@H]2CCC[C@H]2[NH3+])CC1 ZINC000085371336 179041437 /nfs/dbraw/zinc/04/14/37/179041437.db2.gz WEGDATRYFGIIDV-UONOGXRCSA-N 2 0 267.417 1.352 10 0 CDAERP CC(C)[NH+]1CCC(NC[C@@H]2CCCC[N@@H+]2CCO)CC1 ZINC000449390989 362686147 /nfs/dbraw/zinc/68/61/47/362686147.db2.gz HHKONYHOWNYZBP-INIZCTEOSA-N 2 0 283.460 1.296 10 0 CDAERP CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000623418416 346348347 /nfs/dbraw/zinc/34/83/47/346348347.db2.gz QHCXGNCCLRDLGH-NWDGAFQWSA-N 2 0 276.446 1.272 10 0 CDAERP O=C(C[N@@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1)NCC1CC1 ZINC000085403594 179053089 /nfs/dbraw/zinc/05/30/89/179053089.db2.gz SIDUQLAMBLAZAB-MRXNPFEDSA-N 2 0 293.455 1.757 10 0 CDAERP CCc1nc2c(n1C[C@@H](C)C[NH+]1CCCC1)CC[NH2+]C2 ZINC000085572193 179097368 /nfs/dbraw/zinc/09/73/68/179097368.db2.gz ZGXWPGBMFMPCMN-ZDUSSCGKSA-N 2 0 276.428 1.823 10 0 CDAERP Cc1nc2c(n1[C@@H](C[NH+](C)C)C(C)C)CC[NH2+]C2 ZINC000085573166 179098077 /nfs/dbraw/zinc/09/80/77/179098077.db2.gz CGNOIQBNAQWMEM-AWEZNQCLSA-N 2 0 250.390 1.596 10 0 CDAERP CCc1nc2c(n1[C@H](C[NH+](C)C)C(C)C)CC[NH2+]C2 ZINC000085573151 179098421 /nfs/dbraw/zinc/09/84/21/179098421.db2.gz IRJWEHLHIAJXPM-CQSZACIVSA-N 2 0 264.417 1.850 10 0 CDAERP CC[C@H]([NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)[C@@H](C)O ZINC000449540196 362752531 /nfs/dbraw/zinc/75/25/31/362752531.db2.gz JHEIHWKMTVQGMH-DOMZBBRYSA-N 2 0 274.368 1.825 10 0 CDAERP COCCOCC[N@@H+]1C[C@H](C(C)C)[NH2+]CC[C@@H]1C ZINC000085618339 179104607 /nfs/dbraw/zinc/10/46/07/179104607.db2.gz VBSBHALYXMELFE-UONOGXRCSA-N 2 0 258.406 1.358 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CCCO[C@H]2CCOC2)CC1(C)C ZINC000623445160 346761026 /nfs/dbraw/zinc/76/10/26/346761026.db2.gz FOHAVSSRKDUUNX-KGLIPLIRSA-N 2 0 270.417 1.644 10 0 CDAERP C[NH+](C)CCN(CCCc1ccccc1)C(=O)C1C[NH2+]C1 ZINC000263329761 362775968 /nfs/dbraw/zinc/77/59/68/362775968.db2.gz UOXUGQLKJZLAFE-UHFFFAOYSA-N 2 0 289.423 1.229 10 0 CDAERP CCC[NH2+][C@@H](CCO)CN1CC[NH+](C(C)(C)C)CC1 ZINC000085922079 179200737 /nfs/dbraw/zinc/20/07/37/179200737.db2.gz LLIDLVLSZQQHBG-AWEZNQCLSA-N 2 0 271.449 1.153 10 0 CDAERP CC[C@H](C)[C@@H]1CN([C@@H]2CC[N@@H+](C3CC3)C2)CC[NH2+]1 ZINC000086145966 179238535 /nfs/dbraw/zinc/23/85/35/179238535.db2.gz ZNHKJGYQGKCYAH-CFVMTHIKSA-N 2 0 251.418 1.543 10 0 CDAERP CC[C@@](CN)(C1CC1)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000086120779 179234795 /nfs/dbraw/zinc/23/47/95/179234795.db2.gz KFCMZAYQGVFUGO-OAHLLOKOSA-N 2 0 253.434 1.778 10 0 CDAERP CCC[NH+]1CCC(N2CC[NH2+][C@@](C)(CC)C2)CC1 ZINC000086144504 179237263 /nfs/dbraw/zinc/23/72/63/179237263.db2.gz MOCSAWVKDMAUCC-HNNXBMFYSA-N 2 0 253.434 1.935 10 0 CDAERP CCC[NH+]1CCC(N2CC[NH2+][C@](C)(C3CC3)C2)CC1 ZINC000086144511 179237941 /nfs/dbraw/zinc/23/79/41/179237941.db2.gz JCOACWSRTUACOT-INIZCTEOSA-N 2 0 265.445 1.935 10 0 CDAERP CC[C@H](C)[C@H]1CN(C[C@@H]2C[N@H+](C)CCN2C)[C@@H](CC)C[NH2+]1 ZINC000086175913 179247008 /nfs/dbraw/zinc/24/70/08/179247008.db2.gz UQUKYXUUNOVNHZ-LUKYLMHMSA-N 2 0 296.503 1.331 10 0 CDAERP CC[C@H](C)[C@H]1CN(C[C@@H]2CCCC[N@@H+]2C)CC[NH2+]1 ZINC000086145813 179239084 /nfs/dbraw/zinc/23/90/84/179239084.db2.gz VVIUTLUWCLVLDA-SOUVJXGZSA-N 2 0 253.434 1.791 10 0 CDAERP CC(C)[C@H]1C[NH2+]C(C)(C)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086223953 179253478 /nfs/dbraw/zinc/25/34/78/179253478.db2.gz AOFWHTDBXADCDW-ZIAGYGMSSA-N 2 0 253.434 1.789 10 0 CDAERP CC[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)[C@H](O)C(F)F ZINC000623537499 347621439 /nfs/dbraw/zinc/62/14/39/347621439.db2.gz ZBBIULWRGDLSSZ-DCAQKATOSA-N 2 0 264.360 1.853 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CCOC(F)(F)F)CC1(C)C ZINC000623505223 347607513 /nfs/dbraw/zinc/60/75/13/347607513.db2.gz UTJVWPHOAKVHPQ-SECBINFHSA-N 2 0 254.296 1.985 10 0 CDAERP [NH3+]C/C=C/CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000641862444 365946506 /nfs/dbraw/zinc/94/65/06/365946506.db2.gz OGKSUBTYFBRERH-HSWBROFVSA-N 2 0 280.416 1.161 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000629537202 362952775 /nfs/dbraw/zinc/95/27/75/362952775.db2.gz INJGVTVFCIGMEV-CYBMUJFWSA-N 2 0 281.404 1.381 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)[C@H](CC)[NH+](C)C ZINC000620623055 350292522 /nfs/dbraw/zinc/29/25/22/350292522.db2.gz GADBOQGZYRMPPB-LBPRGKRZSA-N 2 0 257.422 1.563 10 0 CDAERP COc1cccc2c1CC[C@@H]([NH2+]CCOCCC[NH3+])C2 ZINC000629537879 362953661 /nfs/dbraw/zinc/95/36/61/362953661.db2.gz LEJJISUMXMCDEQ-CQSZACIVSA-N 2 0 278.396 1.508 10 0 CDAERP Cn1c2cc(C[NH2+][C@H]3CCC[C@H]([NH3+])C3)ccc2oc1=O ZINC000629538645 362955365 /nfs/dbraw/zinc/95/53/65/362955365.db2.gz NVZGNGUCNKMQSB-RYUDHWBXSA-N 2 0 275.352 1.491 10 0 CDAERP COc1ccc([C@H](C)[NH2+]CCOCCC[NH3+])c(F)c1 ZINC000629539505 362956279 /nfs/dbraw/zinc/95/62/79/362956279.db2.gz MPEYOTOBWNHLIM-NSHDSACASA-N 2 0 270.348 1.850 10 0 CDAERP CC[NH+]1CCN([C@@H]2CC[N@H+](CCc3ccccn3)C2)CC1 ZINC000107368382 186172041 /nfs/dbraw/zinc/17/20/41/186172041.db2.gz XECFHZHTKFWQES-QGZVFWFLSA-N 2 0 288.439 1.336 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@H]1CCCC12CCOCC2 ZINC000629535898 362960976 /nfs/dbraw/zinc/96/09/76/362960976.db2.gz DJYPQHXDUYUXBA-ZDUSSCGKSA-N 2 0 256.390 1.291 10 0 CDAERP C[C@H](Cc1ccccc1F)[NH2+]CCOCCC[NH3+] ZINC000629541462 362965079 /nfs/dbraw/zinc/96/50/79/362965079.db2.gz ZXZTWHMJJNCCOD-GFCCVEGCSA-N 2 0 254.349 1.712 10 0 CDAERP Cn1c2cc(C[NH2+][C@H]3CCC[C@@H]3C[NH3+])ccc2oc1=O ZINC000629548207 362975518 /nfs/dbraw/zinc/97/55/18/362975518.db2.gz MOHMFCRDDFKEAE-NEPJUHHUSA-N 2 0 275.352 1.349 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000629566229 363011954 /nfs/dbraw/zinc/01/19/54/363011954.db2.gz IJUUZUQYGUBUJV-KFWWJZLASA-N 2 0 299.459 1.238 10 0 CDAERP C[C@H](C[NH2+][C@H](C)[C@@H]1CCCCO1)CN1CC[NH+](C)CC1 ZINC000623886632 351318684 /nfs/dbraw/zinc/31/86/84/351318684.db2.gz HOSYUXVTDOSRPD-OAGGEKHMSA-N 2 0 283.460 1.417 10 0 CDAERP [NH3+]C[C@@H]1CCCN(CC[C@@H]2CC[NH2+]C2)[C@@H]1C(F)(F)F ZINC000629582122 363046563 /nfs/dbraw/zinc/04/65/63/363046563.db2.gz OANXQNDXFBHCAD-SRVKXCTJSA-N 2 0 279.350 1.588 10 0 CDAERP C/C=C/C[C@@H]1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000629594369 363114774 /nfs/dbraw/zinc/11/47/74/363114774.db2.gz BHHSJHTWGQEBAF-XYBNCVKDSA-N 2 0 279.428 1.487 10 0 CDAERP CCN(CCO)CC[NH2+]Cc1csc(C)c1C ZINC000631114767 363120829 /nfs/dbraw/zinc/12/08/29/363120829.db2.gz YXJIRPPIUFAGPU-UHFFFAOYSA-N 2 0 256.415 1.769 10 0 CDAERP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCN(C3CCC3)C2=O)CC[NH2+]1 ZINC000629673816 363321162 /nfs/dbraw/zinc/32/11/62/363321162.db2.gz IYNZWIOLSJOLOB-YRGRVCCFSA-N 2 0 265.401 1.118 10 0 CDAERP [NH3+]CCCOCC[NH2+]CC1=Cc2ccccc2OC1 ZINC000629677717 363327595 /nfs/dbraw/zinc/32/75/95/363327595.db2.gz FBPBJRFBGWBTIE-UHFFFAOYSA-N 2 0 262.353 1.417 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000454632183 363384062 /nfs/dbraw/zinc/38/40/62/363384062.db2.gz OXOWKAGBWYMTOI-HNNXBMFYSA-N 2 0 294.443 1.397 10 0 CDAERP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+]C(C)C ZINC000034824307 355911053 /nfs/dbraw/zinc/91/10/53/355911053.db2.gz OJVZBTIWJWGZAE-UHFFFAOYSA-N 2 0 279.432 1.368 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000186753746 355989165 /nfs/dbraw/zinc/98/91/65/355989165.db2.gz CSBNJAHWKGASHR-IUODEOHRSA-N 2 0 275.396 1.476 10 0 CDAERP CC(C)(C)N1CC[C@@H]1C[NH2+]C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000634648967 356635147 /nfs/dbraw/zinc/63/51/47/356635147.db2.gz CZARCYLPLWYSPE-YCPHGPKFSA-N 2 0 284.444 1.361 10 0 CDAERP C[N@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)C1(C)CCCC1 ZINC000414759883 366352231 /nfs/dbraw/zinc/35/22/31/366352231.db2.gz FVAMUQIEGKCWEQ-CYBMUJFWSA-N 2 0 267.417 1.448 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634768253 358512122 /nfs/dbraw/zinc/51/21/22/358512122.db2.gz CJSRYNIIICMDOB-HOSILWTGSA-N 2 0 277.412 1.071 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]([NH2+]CCC2CCS(=O)(=O)CC2)C1 ZINC000584064381 356867685 /nfs/dbraw/zinc/86/76/85/356867685.db2.gz ZLORUYCVPIIXSZ-OLZOCXBDSA-N 2 0 274.430 1.061 10 0 CDAERP C[C@](O)(C[C@@H](O)C[NH2+]C1CC[NH+](CC2CC2)CC1)C1CC1 ZINC000634700568 357371361 /nfs/dbraw/zinc/37/13/61/357371361.db2.gz BMMODOPTIFRUNU-SJORKVTESA-N 2 0 296.455 1.362 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCC2(O)CCC2)[C@@H]2CCC[C@@H]21 ZINC000368605799 357821590 /nfs/dbraw/zinc/82/15/90/357821590.db2.gz CEIFSLSOUORHPW-IHRRRGAJSA-N 2 0 252.402 1.754 10 0 CDAERP C[C@@H]1CN(C)CCN1C(=O)c1cc(-n2ccnc2)ccn1 ZINC000408144835 358182569 /nfs/dbraw/zinc/18/25/69/358182569.db2.gz NZCDQAJHESRQAA-GFCCVEGCSA-N 2 0 285.351 1.043 10 0 CDAERP CC(C)[NH2+]C[C@H]1CN(Cc2ccccc2)CC[C@@H]1O ZINC000095088493 358677417 /nfs/dbraw/zinc/67/74/17/358677417.db2.gz ZQCIHPIKRMDYAJ-HOTGVXAUSA-N 2 0 262.397 1.867 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)C[N@@H+]1C1CC1 ZINC000262366193 359166655 /nfs/dbraw/zinc/16/66/55/359166655.db2.gz LDTNUDZDADMVQS-QNWHQSFQSA-N 2 0 265.401 1.116 10 0 CDAERP [NH3+]C[C@H](NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)C1CCCCC1 ZINC000262444292 359170948 /nfs/dbraw/zinc/17/09/48/359170948.db2.gz ORJXNNBVJFZHJL-UGUYLWEFSA-N 2 0 293.455 1.931 10 0 CDAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)COC)cn2)CC1 ZINC000347201455 359224600 /nfs/dbraw/zinc/22/46/00/359224600.db2.gz BWOIOGOLPLQIHL-CQSZACIVSA-N 2 0 292.427 1.348 10 0 CDAERP CCCN1C[C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CC1=O ZINC000421895423 359497256 /nfs/dbraw/zinc/49/72/56/359497256.db2.gz YNFYMDCKPPADMB-JJXSEGSLSA-N 2 0 293.455 1.707 10 0 CDAERP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCNC(=O)c1ccccc1 ZINC000422914960 359672052 /nfs/dbraw/zinc/67/20/52/359672052.db2.gz WVBQSSFGTTZWNV-HUUCEWRRSA-N 2 0 275.396 1.666 10 0 CDAERP COc1ccc([C@@H](C)[NH2+][C@H](C)C2C[NH2+]C2)cc1OC ZINC000422936722 359685504 /nfs/dbraw/zinc/68/55/04/359685504.db2.gz FWRQYMLNJQGVOE-GHMZBOCLSA-N 2 0 264.369 1.962 10 0 CDAERP CN(CC[NH+]1CCCCC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000336686235 359704840 /nfs/dbraw/zinc/70/48/40/359704840.db2.gz AKNUCTHTKSEEQE-HNNXBMFYSA-N 2 0 251.418 1.641 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])[C@@H]1n1cccn1 ZINC000423143482 359754057 /nfs/dbraw/zinc/75/40/57/359754057.db2.gz DFCZWKWYDDVGES-VJTDZRGJSA-N 2 0 266.389 1.317 10 0 CDAERP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)c2cn[nH]c2)CC[NH2+]CC1 ZINC000423008993 359738554 /nfs/dbraw/zinc/73/85/54/359738554.db2.gz BMGKBNMFOBROME-VXGBXAGGSA-N 2 0 294.399 1.382 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000262258268 359826124 /nfs/dbraw/zinc/82/61/24/359826124.db2.gz FUIWDTBATQHBED-FZKCQIBNSA-N 2 0 295.471 1.988 10 0 CDAERP CC(C)[C@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423510992 359832212 /nfs/dbraw/zinc/83/22/12/359832212.db2.gz NACRLAMQVWQQKX-NFOMZHRRSA-N 2 0 253.434 1.837 10 0 CDAERP O[C@@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)CC1(O)CCC1 ZINC000528350541 359960607 /nfs/dbraw/zinc/96/06/07/359960607.db2.gz LSZRKTTWERZXNO-MRXNPFEDSA-N 2 0 296.455 1.460 10 0 CDAERP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2CC23CC3)CC[NH2+]CC1 ZINC000424375696 360028235 /nfs/dbraw/zinc/02/82/35/360028235.db2.gz NMQQVADZNMHEMT-NEPJUHHUSA-N 2 0 266.385 1.450 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000424477973 360080955 /nfs/dbraw/zinc/08/09/55/360080955.db2.gz MJQYSUVMPILONW-NILFDRSVSA-N 2 0 290.411 1.775 10 0 CDAERP OCCN1CCCC[C@@H]1C[NH2+][C@H]1CCCC12CC2 ZINC000514734689 360367512 /nfs/dbraw/zinc/36/75/12/360367512.db2.gz KMUNVQSEKOIZSR-KGLIPLIRSA-N 2 0 252.402 1.756 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000349058210 360724779 /nfs/dbraw/zinc/72/47/79/360724779.db2.gz PUVUYAZYJOXOIT-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000417327363 296022444 /nfs/dbraw/zinc/02/24/44/296022444.db2.gz LGXODURIBRXTIX-YVECIDJPSA-N 2 0 270.421 1.142 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000228482148 482849046 /nfs/dbraw/zinc/84/90/46/482849046.db2.gz RKMYFJISCCCRCG-UPJWGTAASA-N 2 0 253.390 1.103 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000349589720 360912402 /nfs/dbraw/zinc/91/24/02/360912402.db2.gz OYOZUOWQNCEIAW-OCCSQVGLSA-N 2 0 282.432 1.205 10 0 CDAERP CN(C)C(=O)NCC[N@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000565092349 361258645 /nfs/dbraw/zinc/25/86/45/361258645.db2.gz HNVXTVSLYKYTRG-UHFFFAOYSA-N 2 0 290.411 1.035 10 0 CDAERP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000645774330 361388481 /nfs/dbraw/zinc/38/84/81/361388481.db2.gz OURNLGMWBGWNSC-JSGCOSHPSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@@H]1C[C@@H]1C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000351219111 361623179 /nfs/dbraw/zinc/62/31/79/361623179.db2.gz BGJNDWOUEXVQFQ-OAGGEKHMSA-N 2 0 265.445 1.744 10 0 CDAERP CC(C)NC(=O)CC[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000267445410 363823781 /nfs/dbraw/zinc/82/37/81/363823781.db2.gz PZEFGOVBBWQTDK-GFCCVEGCSA-N 2 0 264.373 1.504 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)CC[C@H]1CCCC[NH+]1C ZINC000352811149 363944813 /nfs/dbraw/zinc/94/48/13/363944813.db2.gz RNNHCIMIRHOGMI-CQSZACIVSA-N 2 0 269.433 1.707 10 0 CDAERP CCCC[C@H]([NH3+])C(=O)N1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000170593122 364137269 /nfs/dbraw/zinc/13/72/69/364137269.db2.gz AQWQWFFHNJJHCD-ZFWWWQNUSA-N 2 0 281.444 1.979 10 0 CDAERP C[N@@H+]1CC[C@@H](COC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000170610747 364261469 /nfs/dbraw/zinc/26/14/69/364261469.db2.gz NIPKBAPEWLFVTJ-LLVKDONJSA-N 2 0 259.309 1.443 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(CCO)CCOC2)[C@@H]2CCC[C@@H]21 ZINC000353394736 364355428 /nfs/dbraw/zinc/35/54/28/364355428.db2.gz NTOJDULGENDHLM-VGWMRTNUSA-N 2 0 282.428 1.238 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C[NH+]1CCCC1 ZINC000468097990 364710433 /nfs/dbraw/zinc/71/04/33/364710433.db2.gz LYXIADYLEXUMBE-KKUMJFAQSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000640955553 364780094 /nfs/dbraw/zinc/78/00/94/364780094.db2.gz YZQUWLKPDVFUCY-MJBXVCDLSA-N 2 0 282.432 1.156 10 0 CDAERP Cn1cc(N2CCC[C@H]([NH2+][C@H]3CCC[C@@H]([NH3+])C3)C2)cn1 ZINC000580212598 364913028 /nfs/dbraw/zinc/91/30/28/364913028.db2.gz RRBMNLRHQZSGIP-RDBSUJKOSA-N 2 0 277.416 1.248 10 0 CDAERP C[NH+](C)Cc1cccc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000170874688 365148679 /nfs/dbraw/zinc/14/86/79/365148679.db2.gz SBBANFHCSVZBHT-OAHLLOKOSA-N 2 0 290.411 1.916 10 0 CDAERP C[N@@H+]1CC[C@H](NCCC[NH+]2CCC(O)CC2)[C@H]2CCC[C@@H]21 ZINC000353506402 365264738 /nfs/dbraw/zinc/26/47/38/365264738.db2.gz YAVJGRITQCHWAB-IKGGRYGDSA-N 2 0 295.471 1.296 10 0 CDAERP CCn1nc2c(cc1=O)C[N@@H+](CC[C@H]1CCC[NH2+]C1)CC2 ZINC000643058237 365515599 /nfs/dbraw/zinc/51/55/99/365515599.db2.gz ZRZWDDRZLFIVBQ-CYBMUJFWSA-N 2 0 290.411 1.011 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1COc2ccccc2O1)[C@H]1CC[NH2+]C1 ZINC000400732722 366972407 /nfs/dbraw/zinc/97/24/07/366972407.db2.gz RCDIKRSEGKBPPK-RWMBFGLXSA-N 2 0 262.353 1.414 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000414698653 241334388 /nfs/dbraw/zinc/33/43/88/241334388.db2.gz XPJDYXRVUQRFIL-WCXIOVBPSA-N 2 0 297.487 1.933 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[N@@H+]1CCCC[C@@H]1CC ZINC000626982651 367131765 /nfs/dbraw/zinc/13/17/65/367131765.db2.gz NTKQXTFGLWTBCG-SOUVJXGZSA-N 2 0 296.459 1.691 10 0 CDAERP CC(C)[NH+](CCCNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)C(C)C ZINC000626991677 367187747 /nfs/dbraw/zinc/18/77/47/367187747.db2.gz JUJUPGGAZPLGOX-CABCVRRESA-N 2 0 298.475 1.935 10 0 CDAERP C[C@H]1C[C@H](N(C)C(=O)[C@@H]([NH3+])C(C)(C)C)CC[N@@H+]1C ZINC000237583040 367272372 /nfs/dbraw/zinc/27/23/72/367272372.db2.gz BHDWIVPTNXKBKP-QJPTWQEYSA-N 2 0 255.406 1.301 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)NCC2(C[NH+](C)C)CCCC2)C[NH2+]1 ZINC000627013032 367236125 /nfs/dbraw/zinc/23/61/25/367236125.db2.gz BWNQCEUYNMCJED-ZIAGYGMSSA-N 2 0 296.459 1.548 10 0 CDAERP C[C@@H](CCNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)[NH+]1CCCCC1 ZINC000627013425 367237370 /nfs/dbraw/zinc/23/73/70/367237370.db2.gz LTJLROVLWRLPNX-ILXRZTDVSA-N 2 0 296.459 1.691 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627038129 367282642 /nfs/dbraw/zinc/28/26/42/367282642.db2.gz HUQBXUGKNCFTSG-QWHCGFSZSA-N 2 0 282.432 1.299 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000627116184 367479201 /nfs/dbraw/zinc/47/92/01/367479201.db2.gz GNCUNJYKZYWABX-CWRNSKLLSA-N 2 0 294.443 1.112 10 0 CDAERP C[NH+](C)CCCC(C)(C)NC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627126003 367503048 /nfs/dbraw/zinc/50/30/48/367503048.db2.gz GOJLFUNENGPKAX-ZDUSSCGKSA-N 2 0 296.459 1.691 10 0 CDAERP CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627129627 367505777 /nfs/dbraw/zinc/50/57/77/367505777.db2.gz NKCWOKJJZVTPSK-AWEZNQCLSA-N 2 0 296.459 1.644 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000416820207 242167020 /nfs/dbraw/zinc/16/70/20/242167020.db2.gz BVKTZAKHYYBERO-ZIAGYGMSSA-N 2 0 296.459 1.548 10 0 CDAERP CCC(CC)[C@H](CNC(=O)N[C@H](C)[C@@H](C)[NH3+])[NH+]1CCCC1 ZINC000416958510 242241877 /nfs/dbraw/zinc/24/18/77/242241877.db2.gz PBXPHTIAAWTYAU-NFAWXSAZSA-N 2 0 298.475 1.922 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000417069528 242299571 /nfs/dbraw/zinc/29/95/71/242299571.db2.gz OOEOSFRQTCOEPV-VXGBXAGGSA-N 2 0 278.400 1.283 10 0 CDAERP C[C@H]1CC[C@H](NC(=O)N(C)CC2([NH+](C)C)CCC2)C[NH2+]1 ZINC000627204738 367700161 /nfs/dbraw/zinc/70/01/61/367700161.db2.gz ZZPGBMNEFOHRHN-STQMWFEESA-N 2 0 282.432 1.253 10 0 CDAERP C[C@H]1CC[C@@H](NC(=O)N2CC[NH+](C3CCCC3)CC2)C[NH2+]1 ZINC000627195097 367680926 /nfs/dbraw/zinc/68/09/26/367680926.db2.gz JKHVJONDEIGPPQ-UONOGXRCSA-N 2 0 294.443 1.397 10 0 CDAERP O=C(Nc1ccc2nccn2c1)N[C@H]1C[NH2+]CCC1(F)F ZINC000567142746 370892946 /nfs/dbraw/zinc/89/29/46/370892946.db2.gz OMOYNVNRVGRRDQ-JTQLQIEISA-N 2 0 295.293 1.453 10 0 CDAERP O=C(CCC1C[NH2+]C1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638051876 367816491 /nfs/dbraw/zinc/81/64/91/367816491.db2.gz UKXWSSCCIGRWNF-INIZCTEOSA-N 2 0 287.407 1.377 10 0 CDAERP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]C[C@@H](O)CC1CCCC1 ZINC000564210616 368357727 /nfs/dbraw/zinc/35/77/27/368357727.db2.gz GNTJGPURMVAZKU-SJORKVTESA-N 2 0 298.471 1.754 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000418463231 243107482 /nfs/dbraw/zinc/10/74/82/243107482.db2.gz OAXRNJPFSJURFS-OUAUKWLOSA-N 2 0 264.373 1.241 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@H]([NH3+])C2CC2)cc1 ZINC000418466333 243112839 /nfs/dbraw/zinc/11/28/39/243112839.db2.gz RBOQMTWAGUWNAC-YGRLFVJLSA-N 2 0 276.384 1.243 10 0 CDAERP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000418596313 243256674 /nfs/dbraw/zinc/25/66/74/243256674.db2.gz OSQNVQUXFJCAKS-HUUCEWRRSA-N 2 0 296.459 1.502 10 0 CDAERP CC(C)CC[C@@H]([NH3+])C(=O)N1CCC([NH+](C)C)CC1 ZINC000638142813 368551237 /nfs/dbraw/zinc/55/12/37/368551237.db2.gz UTKYWFRPEXPVSQ-CYBMUJFWSA-N 2 0 255.406 1.303 10 0 CDAERP COC(=O)[C@@H](C)[C@H]([NH2+]CCC[NH3+])c1ccccc1 ZINC000420363600 244146817 /nfs/dbraw/zinc/14/68/17/244146817.db2.gz BPWYXWHPFKXWEY-AAEUAGOBSA-N 2 0 250.342 1.475 10 0 CDAERP C[N@@H+]1CC[C@@]2(CC[NH+](CCC(=O)NC3CCCC3)C2)C1 ZINC000367845324 369265927 /nfs/dbraw/zinc/26/59/27/369265927.db2.gz CSDIJEFCNFKVFJ-MRXNPFEDSA-N 2 0 279.428 1.463 10 0 CDAERP [NH3+]Cc1cccc(-c2cn(C[C@H]3CCC[NH2+]3)nn2)c1 ZINC000630604563 369377308 /nfs/dbraw/zinc/37/73/08/369377308.db2.gz BHOPMANXXACZFB-CYBMUJFWSA-N 2 0 257.341 1.156 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccc(Cn2ccnc2)cc1 ZINC000567351275 370962314 /nfs/dbraw/zinc/96/23/14/370962314.db2.gz DAGIOJPMQNZLCI-VXGBXAGGSA-N 2 0 272.352 1.397 10 0 CDAERP CC[NH2+][C@H](C)CNC(=O)NCC1([NH3+])CCCCCC1 ZINC000418280547 370410345 /nfs/dbraw/zinc/41/03/45/370410345.db2.gz AWSKGVOJUUWHFP-GFCCVEGCSA-N 2 0 270.421 1.335 10 0 CDAERP C[C@@H](N[C@@H](Cc1ccccc1)C[NH+](C)C)[C@H]1CCC[NH2+]1 ZINC000422720839 245178726 /nfs/dbraw/zinc/17/87/26/245178726.db2.gz TZYHHWSMWATITF-HYVNUMGLSA-N 2 0 275.440 1.889 10 0 CDAERP C[NH+](C)C[C@@H]1CCN(C(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000418288125 370637160 /nfs/dbraw/zinc/63/71/60/370637160.db2.gz VMHKJYHDRRJESQ-AWEZNQCLSA-N 2 0 296.459 1.631 10 0 CDAERP O=C([C@@H]1[NH2+]CCc2ccccc21)N1CCC2(CC[NH2+]2)CC1 ZINC000567637914 371076681 /nfs/dbraw/zinc/07/66/81/371076681.db2.gz FUROQNGEKQWBQL-OAHLLOKOSA-N 2 0 285.391 1.228 10 0 CDAERP COc1cc(C)c(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)c(C)n1 ZINC000414968269 371115944 /nfs/dbraw/zinc/11/59/44/371115944.db2.gz YKAMLBBCPQRYPK-SMDDNHRTSA-N 2 0 263.385 1.795 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)NCC[NH+](C)C2CCCC2)C1 ZINC000171654625 372178419 /nfs/dbraw/zinc/17/84/19/372178419.db2.gz NWEFLYKSTSUEDT-CQSZACIVSA-N 2 0 296.459 1.644 10 0 CDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H]2CCCO2)CC1 ZINC000171588699 372202237 /nfs/dbraw/zinc/20/22/37/372202237.db2.gz GYDKRGLCWSDWDY-ZFWWWQNUSA-N 2 0 270.417 1.190 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H](CO)Cc1ccc(C)cc1 ZINC000423063056 245534300 /nfs/dbraw/zinc/53/43/00/245534300.db2.gz VKCVQXWFLSMJKM-HZPDHXFCSA-N 2 0 280.412 1.242 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000581486263 373035041 /nfs/dbraw/zinc/03/50/41/373035041.db2.gz CMOSJMORSCSGDU-NUEKZKHPSA-N 2 0 289.423 1.274 10 0 CDAERP [NH3+]C[C@@H]1CC[N@H+](CCc2cccc3c2OC(F)(F)O3)C1 ZINC000631821242 373698975 /nfs/dbraw/zinc/69/89/75/373698975.db2.gz SIZVXJPEHMLHLF-JTQLQIEISA-N 2 0 284.306 1.831 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCN(C2CCCCC2)C1=O ZINC000643467725 373966760 /nfs/dbraw/zinc/96/67/60/373966760.db2.gz XIXLFTDLQPSSST-HIFRSBDPSA-N 2 0 297.443 1.264 10 0 CDAERP CN(C)c1cc[nH+]cc1C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000423743028 246019353 /nfs/dbraw/zinc/01/93/53/246019353.db2.gz LNYRHQWIFKLDQX-JTQLQIEISA-N 2 0 290.289 1.157 10 0 CDAERP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCCC1(C[NH3+])CC1 ZINC000652232302 541924276 /nfs/dbraw/zinc/92/42/76/541924276.db2.gz WJOSTQVFFFAFCC-VXGBXAGGSA-N 2 0 268.405 1.027 10 0 CDAERP CN(C(=O)NCCC[C@H]1CCC[NH2+]1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000418752540 374584013 /nfs/dbraw/zinc/58/40/13/374584013.db2.gz TYNJQNCCUARDSH-UKRRQHHQSA-N 2 0 294.443 1.397 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCCF ZINC001661929367 1172469818 /nfs/dbraw/zinc/46/98/18/1172469818.db2.gz FAPGOOOSCRQNPT-LSDHHAIUSA-N 2 0 299.434 1.801 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+]Cc2ccnn2CC2CCC2)CC1 ZINC000631077866 375058932 /nfs/dbraw/zinc/05/89/32/375058932.db2.gz MWTVUAKNBGZCFM-UHFFFAOYSA-N 2 0 292.427 1.230 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000417012251 375716346 /nfs/dbraw/zinc/71/63/46/375716346.db2.gz WNIYQIPTMPVFRB-OLZOCXBDSA-N 2 0 270.421 1.110 10 0 CDAERP C[C@@H](C[NH3+])N(C)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000417182465 375737993 /nfs/dbraw/zinc/73/79/93/375737993.db2.gz JEQIUFVQZDAJSZ-DZGCQCFKSA-N 2 0 292.427 1.148 10 0 CDAERP CN(C(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1)C1CC1 ZINC000138345321 375818891 /nfs/dbraw/zinc/81/88/91/375818891.db2.gz JUSIXRLIVUCPDZ-UHFFFAOYSA-N 2 0 279.428 1.415 10 0 CDAERP c1ccc(C[N@@H+]2CC[C@@H]3CN([C@H]4CC[NH2+]C4)C[C@@H]3C2)cc1 ZINC000307303218 375830146 /nfs/dbraw/zinc/83/01/46/375830146.db2.gz FRRILWLMVNOTEQ-SQNIBIBYSA-N 2 0 285.435 1.802 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)C[C@@H]2CSCC[NH2+]2)CC1 ZINC000638974850 376313358 /nfs/dbraw/zinc/31/33/58/376313358.db2.gz CVOWWNUSZGXLRA-CYBMUJFWSA-N 2 0 299.484 1.414 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000417390141 376317278 /nfs/dbraw/zinc/31/72/78/376317278.db2.gz JRDMMHHWJGSMGQ-HIFRSBDPSA-N 2 0 296.459 1.548 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+](CC)CC)C2)CC[N@@H+]1C ZINC000631556732 376363902 /nfs/dbraw/zinc/36/39/02/376363902.db2.gz BSNBSZQFMNPRBB-SOUVJXGZSA-N 2 0 281.444 1.659 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH+]1CCCC[C@@H]1C ZINC000344524949 376455872 /nfs/dbraw/zinc/45/58/72/376455872.db2.gz UDERVJPAPQQIRI-SOUVJXGZSA-N 2 0 281.444 1.850 10 0 CDAERP C[C@@H]1CC2(C[N@@H+]1C[C@@H]1CCc3ncnn31)CC[NH2+]CC2 ZINC000631829171 376667024 /nfs/dbraw/zinc/66/70/24/376667024.db2.gz JEFLMLNIDOHSRB-OLZOCXBDSA-N 2 0 275.400 1.229 10 0 CDAERP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc2oc(=O)n(C)c2c1 ZINC000631823231 376646990 /nfs/dbraw/zinc/64/69/90/376646990.db2.gz ZHECYPSKCJSZHZ-PWSUYJOCSA-N 2 0 275.352 1.301 10 0 CDAERP [NH3+]CCN(Cc1ccccc1)C[C@@H]1CCc2ncnn21 ZINC000631823466 376647884 /nfs/dbraw/zinc/64/78/84/376647884.db2.gz FKRQHHWBJCWZAM-AWEZNQCLSA-N 2 0 271.368 1.226 10 0 CDAERP COc1ccc([C@H](C[NH3+])CN2CCCCC[C@H]([NH3+])C2)cc1 ZINC000631834825 376678989 /nfs/dbraw/zinc/67/89/89/376678989.db2.gz GJPAAGGUYRLNMS-CVEARBPZSA-N 2 0 291.439 1.941 10 0 CDAERP C[C@@H]1C[N@H+](Cc2ccc(-n3ccnc3)cc2)C[C@@H]1C[NH3+] ZINC000631839482 376689626 /nfs/dbraw/zinc/68/96/26/376689626.db2.gz HBMZPWAMVUGWKX-HIFRSBDPSA-N 2 0 270.380 1.899 10 0 CDAERP COc1ccc(OCC[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000631842982 376703515 /nfs/dbraw/zinc/70/35/15/376703515.db2.gz IEPJHEDVBICHHL-OLZOCXBDSA-N 2 0 264.369 1.601 10 0 CDAERP CCOC(=O)c1csc(CC[NH2+][C@@H]2CN(C)C[C@H]2C)n1 ZINC000344787907 376854612 /nfs/dbraw/zinc/85/46/12/376854612.db2.gz DWZAXPTUCSPYGN-GHMZBOCLSA-N 2 0 297.424 1.402 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@](C)(O)C2)[C@@H](C)C1 ZINC000417415973 377033567 /nfs/dbraw/zinc/03/35/67/377033567.db2.gz ZYBOKUVRDKVYSL-YHUYYLMFSA-N 2 0 284.444 1.626 10 0 CDAERP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cn(C)nc2C)C1 ZINC000246924405 377052411 /nfs/dbraw/zinc/05/24/11/377052411.db2.gz MWVRMRSKKMGGFA-DGCLKSJQSA-N 2 0 250.390 1.721 10 0 CDAERP C[C@@H]1CCC[C@@H](NC(=O)CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)[C@H]1C ZINC000248823885 377330814 /nfs/dbraw/zinc/33/08/14/377330814.db2.gz ZCJUPZQIFQJLER-DGADGQDISA-N 2 0 293.455 1.421 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000334796280 377411806 /nfs/dbraw/zinc/41/18/06/377411806.db2.gz DQVJOGKWWHRCJG-DZGCQCFKSA-N 2 0 265.401 1.073 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000417533526 377867755 /nfs/dbraw/zinc/86/77/55/377867755.db2.gz MWFGUKGMZJJEPK-MCIONIFRSA-N 2 0 282.432 1.301 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CCC(C[NH3+])CC1 ZINC000417532459 377890426 /nfs/dbraw/zinc/89/04/26/377890426.db2.gz KWJOTBNDOGJXRS-OKILXGFUSA-N 2 0 296.459 1.630 10 0 CDAERP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CCCCCF ZINC001662324697 1172528612 /nfs/dbraw/zinc/52/86/12/1172528612.db2.gz LQJHPDNDCGFHRM-CYBMUJFWSA-N 2 0 287.423 1.562 10 0 CDAERP C[NH+](C)CCC[C@@H]1CN(CC[C@H]2CCCC[N@@H+]2C)CCO1 ZINC000662324118 412892981 /nfs/dbraw/zinc/89/29/81/412892981.db2.gz VCGRDTOHVJFRBO-IAGOWNOFSA-N 2 0 297.487 1.903 10 0 CDAERP CC[C@@H](C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1)OC ZINC000662326539 412897558 /nfs/dbraw/zinc/89/75/58/412897558.db2.gz VQMRVXYMTTZMHL-UONOGXRCSA-N 2 0 258.406 1.454 10 0 CDAERP CN(CCC[N@H+](C)C[C@H](O)C(C)(C)C)CC[NH+](C)C ZINC000344043188 379080028 /nfs/dbraw/zinc/08/00/28/379080028.db2.gz WUZPWEURIPQOQC-AWEZNQCLSA-N 2 0 273.465 1.209 10 0 CDAERP CCCCN(C)C[C@@H](C)[NH2+][C@@H]1CCN(CCOC)C1 ZINC000344103358 379104832 /nfs/dbraw/zinc/10/48/32/379104832.db2.gz TZYYEPLGYQKNJE-HUUCEWRRSA-N 2 0 271.449 1.417 10 0 CDAERP CC1=CC[N@H+](CCNC(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000445867963 250239054 /nfs/dbraw/zinc/23/90/54/250239054.db2.gz CCPONSVMCQCTHI-UHFFFAOYSA-N 2 0 294.443 1.422 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000246012762 379378111 /nfs/dbraw/zinc/37/81/11/379378111.db2.gz KXBNJOUURAABHC-UONOGXRCSA-N 2 0 282.432 1.064 10 0 CDAERP CC(C)[C@H]1CN(C(=O)C[C@@H]([NH3+])c2ccccc2)CC[N@@H+]1C ZINC000634300680 379358106 /nfs/dbraw/zinc/35/81/06/379358106.db2.gz HYDGFODZSANVQV-HZPDHXFCSA-N 2 0 289.423 1.875 10 0 CDAERP CC(C)[C@H]1CN(C(=O)[C@H]2CC23CC[NH2+]CC3)CC[N@@H+]1C ZINC000634301058 379359969 /nfs/dbraw/zinc/35/99/69/379359969.db2.gz VOWNQYPMZQLLBB-ZIAGYGMSSA-N 2 0 279.428 1.175 10 0 CDAERP Cn1cccc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657596098 412924427 /nfs/dbraw/zinc/92/44/27/412924427.db2.gz USHUWPYNDQEWDV-SFHVURJKSA-N 2 0 299.418 1.882 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000662386426 412947593 /nfs/dbraw/zinc/94/75/93/412947593.db2.gz IFZUSMZNWNDNFX-KKUMJFAQSA-N 2 0 299.459 1.223 10 0 CDAERP COC[C@@H](C[NH+]1CCC(CCC[NH+](C)C)CC1)OC ZINC000660159944 412968376 /nfs/dbraw/zinc/96/83/76/412968376.db2.gz ZFGCFIHPNLDVEM-OAHLLOKOSA-N 2 0 272.433 1.702 10 0 CDAERP Cc1ccncc1C[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000281005171 195065586 /nfs/dbraw/zinc/06/55/86/195065586.db2.gz WHIQRFTUKPRYNZ-AWEZNQCLSA-N 2 0 262.401 1.116 10 0 CDAERP CN(C)c1cc[nH+]cc1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000648143445 390176731 /nfs/dbraw/zinc/17/67/31/390176731.db2.gz RGPYNLATZGTOER-BETUJISGSA-N 2 0 288.395 1.219 10 0 CDAERP C[C@H](CC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)C1CC[NH2+]CC1 ZINC000647001771 390350731 /nfs/dbraw/zinc/35/07/31/390350731.db2.gz XSRAAOUYFWDDBQ-MBNYWOFBSA-N 2 0 267.417 1.126 10 0 CDAERP C[C@H]1CC[C@@H]1NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000358294021 390532922 /nfs/dbraw/zinc/53/29/22/390532922.db2.gz WRNYTCDJKQSWIN-GJZGRUSLSA-N 2 0 298.475 1.700 10 0 CDAERP C[C@H]1CN(C)C[C@H]1[NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000647245656 390623261 /nfs/dbraw/zinc/62/32/61/390623261.db2.gz ZDMHXVCHZHOLDR-LCGIIJARSA-N 2 0 275.396 1.841 10 0 CDAERP C(C1CC[NH2+]CC1)[N@@H+]1CCCC[C@@H](N2CCCC2)C1 ZINC000336056570 390910889 /nfs/dbraw/zinc/91/08/89/390910889.db2.gz YUHGWULDVGZWLG-MRXNPFEDSA-N 2 0 265.445 1.936 10 0 CDAERP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@H](C(=O)C3CC3)C2)CC[NH2+]1 ZINC000415109257 391025134 /nfs/dbraw/zinc/02/51/34/391025134.db2.gz QXILRCDILSHQPJ-DYEKYZERSA-N 2 0 266.385 1.054 10 0 CDAERP CC(C)(C)[NH2+]CCN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647479933 390966740 /nfs/dbraw/zinc/96/67/40/390966740.db2.gz YGFNWBPPCPUZQM-KGLIPLIRSA-N 2 0 253.434 1.839 10 0 CDAERP CCO[C@@H]1C[N@H+](CC2(OC)CCCC2)C[C@H]1C[NH3+] ZINC000405419170 390974621 /nfs/dbraw/zinc/97/46/21/390974621.db2.gz CXIYGGPKZFDNQC-CHWSQXEVSA-N 2 0 256.390 1.241 10 0 CDAERP COc1ccc(CCN[C@H]2C[NH2+]C[C@H](C)C2)cc1F ZINC000647549037 390992487 /nfs/dbraw/zinc/99/24/87/390992487.db2.gz GHNSXKWJVVAXRB-DGCLKSJQSA-N 2 0 266.360 1.964 10 0 CDAERP C[N@@H+]1CCC[C@@H](CCNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)C1 ZINC000418300307 391289338 /nfs/dbraw/zinc/28/93/38/391289338.db2.gz XOVBEUFMULUPES-ZFWWWQNUSA-N 2 0 294.443 1.254 10 0 CDAERP C[N@@H+]1CCC[C@H](CCNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)C1 ZINC000418300305 391289485 /nfs/dbraw/zinc/28/94/85/391289485.db2.gz XOVBEUFMULUPES-HIFRSBDPSA-N 2 0 294.443 1.254 10 0 CDAERP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@@H](O)C(C)C)CC1 ZINC000451980064 391326870 /nfs/dbraw/zinc/32/68/70/391326870.db2.gz HIXXMGIIXJVTGW-CQSZACIVSA-N 2 0 271.449 1.009 10 0 CDAERP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@H](O)C(C)C)CC1 ZINC000451980053 391327184 /nfs/dbraw/zinc/32/71/84/391327184.db2.gz HIXXMGIIXJVTGW-AWEZNQCLSA-N 2 0 271.449 1.009 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000648104816 391338778 /nfs/dbraw/zinc/33/87/78/391338778.db2.gz OLPSAHWYNXNKFL-RBSFLKMASA-N 2 0 293.455 1.755 10 0 CDAERP Nc1cc[nH+]cc1C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000648105122 391338812 /nfs/dbraw/zinc/33/88/12/391338812.db2.gz YAPRMINRBHIYOE-FZMZJTMJSA-N 2 0 274.368 1.098 10 0 CDAERP [NH3+]CCCNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000418340271 391342028 /nfs/dbraw/zinc/34/20/28/391342028.db2.gz CHTQOCFSDLQFFK-UHFFFAOYSA-N 2 0 296.459 1.633 10 0 CDAERP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCN2CCOC)CCO1 ZINC000648443766 391345484 /nfs/dbraw/zinc/34/54/84/391345484.db2.gz KWKMJNXKSDMQJT-RRFJBIMHSA-N 2 0 270.417 1.644 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000417322244 391350781 /nfs/dbraw/zinc/35/07/81/391350781.db2.gz FKSVFJDVXPFOKK-KBXIAJHMSA-N 2 0 296.459 1.404 10 0 CDAERP CO[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647796458 391646231 /nfs/dbraw/zinc/64/62/31/391646231.db2.gz ACBFIIXZBZFIJI-ZSAUSMIDSA-N 2 0 252.402 1.922 10 0 CDAERP C[NH+](C)Cc1cc(CNC(=O)NCCC[NH3+])ccc1F ZINC000417658244 391723875 /nfs/dbraw/zinc/72/38/75/391723875.db2.gz IXOIWFCHCFFHRC-UHFFFAOYSA-N 2 0 282.363 1.035 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)[NH2+][C@H](C)CC(=O)Nc1cccc(F)c1 ZINC000415015949 391724131 /nfs/dbraw/zinc/72/41/31/391724131.db2.gz NOMLLZDXLYJCLK-MXWKQRLJSA-N 2 0 267.348 1.868 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN[C@H](C)[C@@H](C)[NH3+] ZINC000415022728 391727688 /nfs/dbraw/zinc/72/76/88/391727688.db2.gz WAFGTNURTPBISI-GHMZBOCLSA-N 2 0 259.357 1.401 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000417707754 391762652 /nfs/dbraw/zinc/76/26/52/391762652.db2.gz VKWZOHMFUKULAP-ZNMIVQPWSA-N 2 0 296.459 1.548 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000520374524 391788568 /nfs/dbraw/zinc/78/85/68/391788568.db2.gz AQLAWTRSOLLGOL-UKRRQHHQSA-N 2 0 296.459 1.548 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000418190327 391796206 /nfs/dbraw/zinc/79/62/06/391796206.db2.gz WBJNLXOVPOWBNI-ILXRZTDVSA-N 2 0 294.443 1.254 10 0 CDAERP C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1c[nH+]ccc1N(C)C ZINC000647831112 391812537 /nfs/dbraw/zinc/81/25/37/391812537.db2.gz GTVHKRAQVSQFTK-WCQYABFASA-N 2 0 276.384 1.312 10 0 CDAERP O=C1[C@@H](N2CCC[C@@]3(CC[NH2+]C3)C2)CCN1c1ccccc1 ZINC000334980278 391991484 /nfs/dbraw/zinc/99/14/84/391991484.db2.gz LWOGLZAZIMKLNF-WMZOPIPTSA-N 2 0 299.418 1.867 10 0 CDAERP CC(C)[NH+]1CCC([NH2+][C@H]2CCC(=O)NC2(C)C)CC1 ZINC000334238485 392045466 /nfs/dbraw/zinc/04/54/66/392045466.db2.gz SVDLDDFRZFMRBM-ZDUSSCGKSA-N 2 0 267.417 1.506 10 0 CDAERP CCC[NH+]1CCC([N@H+](C)CCn2cc(C)cn2)CC1 ZINC000336807633 392095902 /nfs/dbraw/zinc/09/59/02/392095902.db2.gz LXIKIQKDKXAGCL-UHFFFAOYSA-N 2 0 264.417 1.998 10 0 CDAERP C([C@@H]1CC[NH2+]C1)[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000649411942 392195868 /nfs/dbraw/zinc/19/58/68/392195868.db2.gz XHHFWJNPRVLGOB-GFCCVEGCSA-N 2 0 275.400 1.013 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)c2ccc(C[NH3+])o2)CC1 ZINC000646262315 392218939 /nfs/dbraw/zinc/21/89/39/392218939.db2.gz FSCDHCUCBGLKHM-UHFFFAOYSA-N 2 0 279.384 1.589 10 0 CDAERP CC[C@@H](NCC[N@@H+]1CCCC[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422857371 392268115 /nfs/dbraw/zinc/26/81/15/392268115.db2.gz HFDFZBZRJGGQKN-ZNMIVQPWSA-N 2 0 253.434 1.981 10 0 CDAERP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@@H](O)C(C)C)C1 ZINC000432825251 392273903 /nfs/dbraw/zinc/27/39/03/392273903.db2.gz WAIQBHXKQQAEBC-LSDHHAIUSA-N 2 0 272.433 1.436 10 0 CDAERP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1cn[nH]c1 ZINC000423122651 392363845 /nfs/dbraw/zinc/36/38/45/392363845.db2.gz KUCBYHBXKTZZLU-WFASDCNBSA-N 2 0 258.369 1.500 10 0 CDAERP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])CCO1 ZINC000423148955 392389017 /nfs/dbraw/zinc/38/90/17/392389017.db2.gz GZBNPTWCUNQBQH-GCSSGZNBSA-N 2 0 284.444 1.780 10 0 CDAERP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CCC[NH3+])cc1 ZINC000423194844 392433397 /nfs/dbraw/zinc/43/33/97/392433397.db2.gz RWNJEDORSBLQBS-LLVKDONJSA-N 2 0 285.413 1.448 10 0 CDAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCO)CC1 ZINC000449217794 392713710 /nfs/dbraw/zinc/71/37/10/392713710.db2.gz BVCVIXBNDCNGBX-AWEZNQCLSA-N 2 0 262.397 1.664 10 0 CDAERP C[C@H](Cc1ccoc1)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000449219988 392716144 /nfs/dbraw/zinc/71/61/44/392716144.db2.gz BQEWDWBBYDSMNT-CQSZACIVSA-N 2 0 279.428 1.826 10 0 CDAERP COC[C@@H](C)C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000527116605 392722385 /nfs/dbraw/zinc/72/23/85/392722385.db2.gz KSQIPYVYJVRLFK-DZGCQCFKSA-N 2 0 254.418 1.933 10 0 CDAERP C[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1CCC[NH2+]C1 ZINC000516759640 392777293 /nfs/dbraw/zinc/77/72/93/392777293.db2.gz SLAMHUADGVPYTL-GBJTYRQASA-N 2 0 251.418 1.591 10 0 CDAERP CCC[C@@H](O)C[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000450893377 392987598 /nfs/dbraw/zinc/98/75/98/392987598.db2.gz GWDJARQPLRWLPQ-CYBMUJFWSA-N 2 0 279.384 1.373 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000662483761 413056428 /nfs/dbraw/zinc/05/64/28/413056428.db2.gz GMCVOGHNCKTUQE-ILXRZTDVSA-N 2 0 297.443 1.212 10 0 CDAERP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCCC[C@@H]2C)CC[N@@H+]1C ZINC000648735256 393219954 /nfs/dbraw/zinc/21/99/54/393219954.db2.gz HSAWOWPWFXRQDK-BFHYXJOUSA-N 2 0 267.417 1.317 10 0 CDAERP C[NH+](C)Cc1cc(CNC(=O)[C@@H]2[NH2+]CC2(C)C)ccc1F ZINC000646001894 393465369 /nfs/dbraw/zinc/46/53/69/393465369.db2.gz WQBXJXIBUFCWSA-AWEZNQCLSA-N 2 0 293.386 1.502 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000137203435 139896666 /nfs/dbraw/zinc/89/66/66/139896666.db2.gz QVCDVZMHOIRPLL-OAHLLOKOSA-N 2 0 293.455 1.614 10 0 CDAERP O=C(C[C@@H]1CCC[NH2+]1)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000167778105 139935756 /nfs/dbraw/zinc/93/57/56/139935756.db2.gz BOQPPKQRYDCMKA-GJZGRUSLSA-N 2 0 279.428 1.605 10 0 CDAERP C[NH+](C)C(C)(C)CN[C@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353456726 289036723 /nfs/dbraw/zinc/03/67/23/289036723.db2.gz WSBQPVRYDDVKEJ-IHRRRGAJSA-N 2 0 253.434 1.789 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000249614283 140296229 /nfs/dbraw/zinc/29/62/29/140296229.db2.gz OVZIUKVDQMPOCJ-XQLPTFJDSA-N 2 0 279.428 1.508 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000251625277 140310098 /nfs/dbraw/zinc/31/00/98/140310098.db2.gz FDASAPCWGXBLBO-KFWWJZLASA-N 2 0 279.428 1.461 10 0 CDAERP CCN(C(=O)N[C@H]1CC[NH+](C2CC2)C1)[C@H]1CC[N@H+](CC)C1 ZINC000664130703 413095864 /nfs/dbraw/zinc/09/58/64/413095864.db2.gz VIUDITPWRZFTNW-ZFWWWQNUSA-N 2 0 294.443 1.349 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656200656 413096527 /nfs/dbraw/zinc/09/65/27/413096527.db2.gz TWJPCJBJGNIYPH-KOWPAETKSA-N 2 0 295.471 1.462 10 0 CDAERP COCC1(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000656199890 413098037 /nfs/dbraw/zinc/09/80/37/413098037.db2.gz GDWVGUNWHIBZQX-MGPQQGTHSA-N 2 0 268.401 1.160 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656200867 413098679 /nfs/dbraw/zinc/09/86/79/413098679.db2.gz WIWIYHMNVRSLTO-NIFZNCRKSA-N 2 0 269.433 1.344 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])N1C[C@@H](C)O[C@@H](C)C1 ZINC000656200103 413098884 /nfs/dbraw/zinc/09/88/84/413098884.db2.gz JNJIZBAYWZTQAU-RBGFHDKUSA-N 2 0 283.460 1.591 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000656201819 413101454 /nfs/dbraw/zinc/10/14/54/413101454.db2.gz ZSTXRAUTPXVQNK-VQJWOFKYSA-N 3 0 251.418 1.304 10 0 CDAERP C[C@@H](CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)n1ccnc1 ZINC000649765218 397943508 /nfs/dbraw/zinc/94/35/08/397943508.db2.gz CRYZBOKKHIZFCE-HZSPNIEDSA-N 2 0 278.400 1.775 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000390757012 397979564 /nfs/dbraw/zinc/97/95/64/397979564.db2.gz WXLNBAGSMLQDDU-HOCLYGCPSA-N 2 0 291.439 1.997 10 0 CDAERP C[NH+](C)CC(C)(C)CNC(=O)C1CCC([NH3+])CC1 ZINC000037622851 398096473 /nfs/dbraw/zinc/09/64/73/398096473.db2.gz IMSUWZUQGPIFBN-UHFFFAOYSA-N 2 0 255.406 1.208 10 0 CDAERP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1nc(C(C)(C)[NH3+])no1 ZINC000094446118 147088235 /nfs/dbraw/zinc/08/82/35/147088235.db2.gz SSVIFXBHVYETTA-NWDGAFQWSA-N 2 0 293.415 1.322 10 0 CDAERP [NH3+][C@@H]1CC[C@@H](C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000097092985 147120857 /nfs/dbraw/zinc/12/08/57/147120857.db2.gz YOXASEHCAXPZNH-CHWSQXEVSA-N 2 0 253.390 1.106 10 0 CDAERP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1ccc(=O)[nH]n1 ZINC000658107193 413206647 /nfs/dbraw/zinc/20/66/47/413206647.db2.gz KXFIEHVIXJCNOA-QWHCGFSZSA-N 2 0 295.431 1.105 10 0 CDAERP Cc1nccnc1[C@@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000658106205 413207633 /nfs/dbraw/zinc/20/76/33/413207633.db2.gz GLKJBJFJRNWYSD-DZGCQCFKSA-N 2 0 293.459 1.708 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)CC[C@H](C)[NH3+])[C@@H](C)C1 ZINC000248844543 286060180 /nfs/dbraw/zinc/06/01/80/286060180.db2.gz HGXVKIVHETVUJU-KKUMJFAQSA-N 2 0 299.459 1.367 10 0 CDAERP C[C@]1(C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)CC[NH2+]C1 ZINC000262100140 149017343 /nfs/dbraw/zinc/01/73/43/149017343.db2.gz VMUIPBLFPNXDMK-HOCLYGCPSA-N 2 0 279.428 1.224 10 0 CDAERP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C2C[NH2+]C2)CC1 ZINC000262243649 149039344 /nfs/dbraw/zinc/03/93/44/149039344.db2.gz OHVSGTKAXBUZIE-CYBMUJFWSA-N 2 0 287.407 1.548 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC[N@@H+]1C ZINC000262403838 149059357 /nfs/dbraw/zinc/05/93/57/149059357.db2.gz OMQDTIUQEKXRCO-RFQIPJPRSA-N 2 0 267.417 1.316 10 0 CDAERP Cc1ccc(NC(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000314776516 149256342 /nfs/dbraw/zinc/25/63/42/149256342.db2.gz PPLJMFCNTHPDAI-GASCZTMLSA-N 2 0 287.407 1.865 10 0 CDAERP O=C(c1ccc2c[nH+]cn2c1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000335066450 150252229 /nfs/dbraw/zinc/25/22/29/150252229.db2.gz AXUGBFCGOCCJSW-XJKSGUPXSA-N 2 0 298.390 1.939 10 0 CDAERP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)C1(CO)CC1 ZINC000658155783 413247828 /nfs/dbraw/zinc/24/78/28/413247828.db2.gz QWSXZPOYGGGQDJ-FQUUOJAGSA-N 2 0 252.402 1.610 10 0 CDAERP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](CC)C2)C12CCOCC2 ZINC000249047111 286284011 /nfs/dbraw/zinc/28/40/11/286284011.db2.gz WCEGPVPROJNFNU-ARFHVFGLSA-N 2 0 296.455 1.892 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCCNc1ccccn1 ZINC000346290522 153127964 /nfs/dbraw/zinc/12/79/64/153127964.db2.gz SHHYOLSLJACBKR-CQSZACIVSA-N 2 0 290.411 1.874 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C1(CO)CCCC1 ZINC000346326563 153141295 /nfs/dbraw/zinc/14/12/95/153141295.db2.gz NZULJPKNFCCISO-UHFFFAOYSA-N 2 0 286.379 1.970 10 0 CDAERP CCC[C@H](C)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000349319541 154088206 /nfs/dbraw/zinc/08/82/06/154088206.db2.gz UHPZJZJELVELAN-HNNXBMFYSA-N 2 0 255.450 1.992 10 0 CDAERP C[C@@H]1C[C@@H]1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000349364469 154098872 /nfs/dbraw/zinc/09/88/72/154098872.db2.gz GQEWCCFDUFEEBV-DNLWUEFJSA-N 2 0 277.456 1.885 10 0 CDAERP C[N@@H+]1CC[C@]2(CCN(CCO[C@@H]3CC3(F)F)C2)C1 ZINC000660616724 413298943 /nfs/dbraw/zinc/29/89/43/413298943.db2.gz OPZMDMSDBKGGEJ-NEPJUHHUSA-N 2 0 260.328 1.438 10 0 CDAERP O=C([C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)N1CCC2(C1)CC[NH2+]CC2 ZINC000374513568 304397001 /nfs/dbraw/zinc/39/70/01/304397001.db2.gz JTCKVNZIJVXRCM-KFWWJZLASA-N 2 0 291.439 1.509 10 0 CDAERP [NH3+][C@H](c1cn([C@@H]2CCC[NH2+]C2)nn1)c1ccccc1 ZINC000656467049 413322921 /nfs/dbraw/zinc/32/29/21/413322921.db2.gz JUJVOOYLHOEVLA-OCCSQVGLSA-N 2 0 257.341 1.251 10 0 CDAERP CC[NH+]1CCC(CNC(=O)c2cc(C(C)(C)[NH3+])no2)CC1 ZINC000662694058 413327872 /nfs/dbraw/zinc/32/78/72/413327872.db2.gz UFCNQIPQNFYFIV-UHFFFAOYSA-N 2 0 294.399 1.330 10 0 CDAERP COCCC[NH+]1CCC(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000237195998 292350215 /nfs/dbraw/zinc/35/02/15/292350215.db2.gz GZNUGELLALITBR-UONOGXRCSA-N 2 0 297.443 1.121 10 0 CDAERP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](C)C[C@@H](C)[C@@H]2C)CC1 ZINC000355791873 157238216 /nfs/dbraw/zinc/23/82/16/157238216.db2.gz XYJWBQZWRIFOMP-KFWWJZLASA-N 2 0 295.471 1.953 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)Cc2n[nH]cc2C)[C@@H](C)C1 ZINC000356107421 157356233 /nfs/dbraw/zinc/35/62/33/157356233.db2.gz HBFOZAMTAPJBCB-GXTWGEPZSA-N 2 0 250.390 1.880 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC000362793959 159239834 /nfs/dbraw/zinc/23/98/34/159239834.db2.gz AMEBXIMLSPJIPZ-UHFFFAOYSA-N 2 0 269.433 1.566 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)c2cc(C(C)(C)[NH3+])no2)C[N@@H+]1C1CC1 ZINC000662754273 413431532 /nfs/dbraw/zinc/43/15/32/413431532.db2.gz IXGFDCZSEKYVDM-ZJUUUORDSA-N 2 0 292.383 1.223 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC[N@@H+]1C ZINC000284442983 196055638 /nfs/dbraw/zinc/05/56/38/196055638.db2.gz UYMWXFFMNROGCX-TZMCWYRMSA-N 2 0 286.379 1.889 10 0 CDAERP CN([C@@H](C[NH3+])c1ccc(F)cc1F)C1CC[NH+](C)CC1 ZINC000022163133 171364836 /nfs/dbraw/zinc/36/48/36/171364836.db2.gz PKNRJAXZNUPNSN-HNNXBMFYSA-N 2 0 283.366 1.991 10 0 CDAERP C[C@H](CC(=O)NCCC1(C[NH3+])CC1)[C@@H]1CCC[NH2+]C1 ZINC000653216220 412143157 /nfs/dbraw/zinc/14/31/57/412143157.db2.gz STJOSUIOAOEZBC-CHWSQXEVSA-N 2 0 267.417 1.257 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000653176205 412116439 /nfs/dbraw/zinc/11/64/39/412116439.db2.gz MXEXDUZDVFVUEZ-CQSZACIVSA-N 2 0 269.433 1.470 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)C1([NH2+]C2CC2)CCC1 ZINC000662821990 413546279 /nfs/dbraw/zinc/54/62/79/413546279.db2.gz KZNZWRPSOWBDKB-UHFFFAOYSA-N 2 0 267.417 1.461 10 0 CDAERP C[C@H](C(=O)N1CC[NH2+]CC1)[N@H+](C)C1CCCCC1 ZINC000035220703 172062326 /nfs/dbraw/zinc/06/23/26/172062326.db2.gz WNYLUPMUOXXJRD-GFCCVEGCSA-N 2 0 253.390 1.071 10 0 CDAERP C[N@H+](CCOc1ccc(C[NH3+])cc1)[C@H]1CCSC1 ZINC000035725170 172379895 /nfs/dbraw/zinc/37/98/95/172379895.db2.gz INHGFXGKIHKYCU-ZDUSSCGKSA-N 2 0 266.410 1.961 10 0 CDAERP C[N@H+](CCOc1ccccc1C[NH3+])[C@H]1CCSC1 ZINC000035725185 172380096 /nfs/dbraw/zinc/38/00/96/172380096.db2.gz ZMHXPXCDOWATIH-ZDUSSCGKSA-N 2 0 266.410 1.961 10 0 CDAERP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H](CCF)C2)C1 ZINC000656792189 413671727 /nfs/dbraw/zinc/67/17/27/413671727.db2.gz PMGZRYOLHQXGDF-UONOGXRCSA-N 2 0 285.407 1.255 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)CC[NH2+]C(C)C ZINC000664718835 413612128 /nfs/dbraw/zinc/61/21/28/413612128.db2.gz CJZYIDLRASTEIA-UHFFFAOYSA-N 2 0 257.422 1.611 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662909544 413693822 /nfs/dbraw/zinc/69/38/22/413693822.db2.gz FWQBIMNPJVVLAB-ZDUSSCGKSA-N 2 0 265.401 1.262 10 0 CDAERP C[C@@H]([NH3+])[C@H]1CN(c2cc[nH+]c3ccccc32)CCO1 ZINC000132936447 413794184 /nfs/dbraw/zinc/79/41/84/413794184.db2.gz CZOBTHMSWVEWIY-IAQYHMDHSA-N 2 0 257.337 1.787 10 0 CDAERP CC1(C)C[NH2+][C@H]1C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659366448 413749808 /nfs/dbraw/zinc/74/98/08/413749808.db2.gz KBUUMNGBWBNSRM-KBPBESRZSA-N 2 0 289.379 1.284 10 0 CDAERP C[C@@]1(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CC[NH2+]C1 ZINC000659367745 413751601 /nfs/dbraw/zinc/75/16/01/413751601.db2.gz NLSFNAMEMRAJIF-GDBMZVCRSA-N 2 0 289.379 1.286 10 0 CDAERP CN(CCC[NH+](C)C)CCNC(=O)NCC1=CCCCC1 ZINC000664978913 413773085 /nfs/dbraw/zinc/77/30/85/413773085.db2.gz PDCNGPOEIYCYEG-UHFFFAOYSA-N 2 0 296.459 1.670 10 0 CDAERP C[C@@H]1C[C@@H](NCC23CC(C2)C[NH2+]3)C[N@@H+]1Cc1ccccc1 ZINC000665278162 414016346 /nfs/dbraw/zinc/01/63/46/414016346.db2.gz WMWGEXWTWSZBAW-CCGTUFIJSA-N 2 0 285.435 1.991 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(C(C)(C)C)C1 ZINC000665236928 413967458 /nfs/dbraw/zinc/96/74/58/413967458.db2.gz WSEOVACZKBPXLE-OLZOCXBDSA-N 2 0 257.422 1.203 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCN(C(C)(C)C)C1 ZINC000665236929 413968514 /nfs/dbraw/zinc/96/85/14/413968514.db2.gz WSEOVACZKBPXLE-QWHCGFSZSA-N 2 0 257.422 1.203 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000659562100 413970472 /nfs/dbraw/zinc/97/04/72/413970472.db2.gz YHFOGFZSEXPXPL-ILXRZTDVSA-N 2 0 296.459 1.676 10 0 CDAERP C[C@H]1C[N@H+](C)C[C@H]1N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665254146 413978582 /nfs/dbraw/zinc/97/85/82/413978582.db2.gz IQQJEVFZNKNBMI-WBQNTZJQSA-N 2 0 291.414 1.811 10 0 CDAERP C[C@@H]([NH3+])C[C@H](C)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665252009 413978684 /nfs/dbraw/zinc/97/86/84/413978684.db2.gz FAMSEXJDWANGFN-OCVGTWLNSA-N 2 0 261.413 1.848 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)C(C)C)CC1 ZINC000665285767 414022926 /nfs/dbraw/zinc/02/29/26/414022926.db2.gz WJNNOYJJCDNKPU-ZDUSSCGKSA-N 2 0 269.433 1.611 10 0 CDAERP CC[C@H]1C[N@H+](CC)CCN1C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659620262 414029667 /nfs/dbraw/zinc/02/96/67/414029667.db2.gz ZPOYGPLGWDNNER-UONOGXRCSA-N 2 0 284.448 1.486 10 0 CDAERP CCCN(CC[NH+]1CCCC1)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659621262 414031445 /nfs/dbraw/zinc/03/14/45/414031445.db2.gz WREGJUXBMVNPAS-OAHLLOKOSA-N 2 0 298.475 1.877 10 0 CDAERP CC(C)[NH+]1CCC(C[NH3+])(N(C)[C@@H]2CCSC2)CC1 ZINC000037174597 173009856 /nfs/dbraw/zinc/00/98/56/173009856.db2.gz DTQSRMICDZKCDC-CYBMUJFWSA-N 2 0 271.474 1.625 10 0 CDAERP CCC[NH+]1CCC([C@@H](C)[NH2+]CC(=O)N(C)C)CC1 ZINC000037225210 173045411 /nfs/dbraw/zinc/04/54/11/173045411.db2.gz CTXHLQAAKRRFNT-GFCCVEGCSA-N 2 0 255.406 1.175 10 0 CDAERP COCC[C@](C)(O)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657368901 414234350 /nfs/dbraw/zinc/23/43/50/414234350.db2.gz ZBPJHKQZXWYDPC-HNNXBMFYSA-N 2 0 290.367 1.144 10 0 CDAERP C[NH+](C)CC1CC[NH+](CCO[C@H]2CC2(F)F)CC1 ZINC000659845130 414178001 /nfs/dbraw/zinc/17/80/01/414178001.db2.gz QWFSUNNBDVJGDH-LBPRGKRZSA-N 2 0 262.344 1.684 10 0 CDAERP c1cc(C[NH2+]CCOCC2CC2)n(-c2cc[nH+]cc2)n1 ZINC000657355114 414213854 /nfs/dbraw/zinc/21/38/54/414213854.db2.gz BQSSKVDFKIEHLY-UHFFFAOYSA-N 2 0 272.352 1.784 10 0 CDAERP CC(C)[N@H+](C)CC1CC[NH+](C[C@@]2(O)CCCOC2)CC1 ZINC000659877494 414214052 /nfs/dbraw/zinc/21/40/52/414214052.db2.gz SDVKARZHMNMKIA-INIZCTEOSA-N 2 0 284.444 1.580 10 0 CDAERP CC[C@@H]1C[C@H]([NH2+]CCOCC[NH+](CC)CC)CO1 ZINC000657432521 414315771 /nfs/dbraw/zinc/31/57/71/414315771.db2.gz GNSBEGCVPBNIAW-UONOGXRCSA-N 2 0 258.406 1.502 10 0 CDAERP C[C@@H](NCc1nc2c(s1)C[NH2+]CC2)[C@@H]1CCC[NH2+]C1 ZINC000663493276 414289046 /nfs/dbraw/zinc/28/90/46/414289046.db2.gz HDIQADBUMPKFEG-GHMZBOCLSA-N 2 0 280.441 1.267 10 0 CDAERP CCCC[C@H](C[NH3+])NCc1nc2c(s1)C[NH2+]CC2 ZINC000663492679 414289613 /nfs/dbraw/zinc/28/96/13/414289613.db2.gz AYURSOCPXBBKAV-SNVBAGLBSA-N 2 0 268.430 1.396 10 0 CDAERP C[C@@H](C[C@H]1CCCCC[NH2+]1)NCC12CC(C1)C[NH2+]2 ZINC000663500530 414300902 /nfs/dbraw/zinc/30/09/02/414300902.db2.gz LAVCZJQZDCXZMD-FGZQJIAISA-N 2 0 251.418 1.639 10 0 CDAERP Cc1n[nH]c(CC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)n1 ZINC000657423688 414312349 /nfs/dbraw/zinc/31/23/49/414312349.db2.gz LMVGAABBDILGJV-UHFFFAOYSA-N 2 0 283.339 1.026 10 0 CDAERP CC[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)C1CC1 ZINC000661757129 414341097 /nfs/dbraw/zinc/34/10/97/414341097.db2.gz ALEGEWGEMJBULL-HNNXBMFYSA-N 2 0 279.428 1.508 10 0 CDAERP CCN(C(=O)NCC[NH+]1CCC[C@H](C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000663628693 414382457 /nfs/dbraw/zinc/38/24/57/414382457.db2.gz HSAZCDGKPCPMKD-LSDHHAIUSA-N 2 0 296.459 1.454 10 0 CDAERP C[C@@H](C[NH2+]Cc1cnc2n1CCC2)N1C[C@@H](C)O[C@@H](C)C1 ZINC000657504928 414404411 /nfs/dbraw/zinc/40/44/11/414404411.db2.gz QHXYNRHZXIEFIU-MELADBBJSA-N 2 0 292.427 1.417 10 0 CDAERP C[N@H+](CCOCc1ccccc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662257497 414592239 /nfs/dbraw/zinc/59/22/39/414592239.db2.gz DDPIHXXANNOERU-MRXNPFEDSA-N 2 0 290.407 1.656 10 0 CDAERP CO[C@@H](C)C[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C(C)C ZINC000662256277 414592944 /nfs/dbraw/zinc/59/29/44/414592944.db2.gz KBTGOSQLPSRPKN-STQMWFEESA-N 2 0 256.390 1.253 10 0 CDAERP CO[C@H](CN1CCO[C@@H]([C@@H](C)[NH3+])C1)C1CCCCC1 ZINC000662247600 414583775 /nfs/dbraw/zinc/58/37/75/414583775.db2.gz GPUXWPWVGFEHKK-BPLDGKMQSA-N 2 0 270.417 1.630 10 0 CDAERP C[C@H](CNC(=O)C1CCC([NH3+])CC1)C[NH+]1CCCCC1 ZINC000038042325 174045368 /nfs/dbraw/zinc/04/53/68/174045368.db2.gz TZEKDGCMMMHXPY-WLYUNCDWSA-N 2 0 281.444 1.742 10 0 CDAERP CC[NH+]1CCC([C@H](C)[NH2+]CCCS(C)(=O)=O)CC1 ZINC000038047497 174057678 /nfs/dbraw/zinc/05/76/78/174057678.db2.gz BRQSXABVQVORPM-LBPRGKRZSA-N 2 0 276.446 1.131 10 0 CDAERP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@](C)(c2cccc(OC)c2)C1 ZINC000662310629 414631224 /nfs/dbraw/zinc/63/12/24/414631224.db2.gz LWHBABXBNDVHKQ-IRXDYDNUSA-N 2 0 292.423 1.629 10 0 CDAERP COc1ccc([C@H](C[NH3+])C[N@@H+]2C[C@H]3COC[C@]3(C)C2)cc1 ZINC000662310619 414632370 /nfs/dbraw/zinc/63/23/70/414632370.db2.gz LQIFCKQEQWJFPB-VYDXJSESSA-N 2 0 290.407 1.706 10 0 CDAERP CC[NH+]1CCC(N[C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000038098105 174111749 /nfs/dbraw/zinc/11/17/49/174111749.db2.gz WJRYEDOQDYWCOJ-YDHLFZDLSA-N 2 0 253.434 1.789 10 0 CDAERP C[NH+](C)CCC[C@H]1C[N@H+](C[C@H](O)C(C)(C)C)CCO1 ZINC000662322158 414641014 /nfs/dbraw/zinc/64/10/14/414641014.db2.gz FXKGJJRJGWHAGZ-KBPBESRZSA-N 2 0 272.433 1.436 10 0 CDAERP CC[NH+]1CCN([C@H](C[NH3+])[C@@H](C)c2ccccc2)CC1 ZINC000040216751 174205346 /nfs/dbraw/zinc/20/53/46/174205346.db2.gz FQIULQQRGUISCS-GOEBONIOSA-N 2 0 261.413 1.755 10 0 CDAERP CCC[C@H](C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508130 174302631 /nfs/dbraw/zinc/30/26/31/174302631.db2.gz SZVBFKNTWKNHFK-QWHCGFSZSA-N 2 0 253.390 1.071 10 0 CDAERP C[C@H](c1cccnc1)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508144 174303500 /nfs/dbraw/zinc/30/35/00/174303500.db2.gz RVBTWYBFLREUJQ-UKRRQHHQSA-N 2 0 288.395 1.039 10 0 CDAERP CC[C@H](C)[NH2+]CC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000040624577 174356577 /nfs/dbraw/zinc/35/65/77/174356577.db2.gz OINHGFTYCOKRDR-QWHCGFSZSA-N 2 0 255.406 1.221 10 0 CDAERP CCOC1CCN(C2(C[NH3+])CC[NH+](C(C)C)CC2)CC1 ZINC000040678759 174374675 /nfs/dbraw/zinc/37/46/75/174374675.db2.gz UQMNOWWCXZMCLC-UHFFFAOYSA-N 2 0 283.460 1.689 10 0 CDAERP C[C@@H]1CC[C@H](C(=O)N2CCC([NH+]3CCCCC3)CC2)C[NH2+]1 ZINC000040694377 174377988 /nfs/dbraw/zinc/37/79/88/174377988.db2.gz QIJSTKNHXYLDSA-CABCVRRESA-N 2 0 293.455 1.851 10 0 CDAERP CO[C@H]1CCCC[C@@H]1[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000040770306 174399899 /nfs/dbraw/zinc/39/98/99/174399899.db2.gz QNCUCIMJMMJJFL-ULQDDVLXSA-N 2 0 297.487 1.806 10 0 CDAERP C[C@H]([NH3+])[C@H](c1ccncc1)N1CC[NH+](CC2CC2)CC1 ZINC000043354233 175021387 /nfs/dbraw/zinc/02/13/87/175021387.db2.gz YBXMZSBAGKVLJZ-XJKSGUPXSA-N 2 0 274.412 1.498 10 0 CDAERP O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1C[NH2+]CCO1 ZINC000043708575 175102024 /nfs/dbraw/zinc/10/20/24/175102024.db2.gz LCJIFYGTQLMMCF-HNNXBMFYSA-N 2 0 289.379 1.209 10 0 CDAERP CC[NH2+][C@@H](CN1CCC[N@H+](C)CC1)c1ccccc1 ZINC000043818296 175112984 /nfs/dbraw/zinc/11/29/84/175112984.db2.gz YMNVKMIKCHTJFL-INIZCTEOSA-N 2 0 261.413 1.975 10 0 CDAERP CCC[NH2+][C@@H]1CCOC[C@@H]1N(C)C1CC[NH+](CC)CC1 ZINC000043978565 175133632 /nfs/dbraw/zinc/13/36/32/175133632.db2.gz PNUWVCASHLFASW-CVEARBPZSA-N 2 0 283.460 1.560 10 0 CDAERP CC(C)OC(=O)N1CCC[N@H+](CCCC[NH3+])CC1 ZINC000044239581 175155563 /nfs/dbraw/zinc/15/55/63/175155563.db2.gz UXGBBXCTIDDBCB-UHFFFAOYSA-N 2 0 257.378 1.278 10 0 CDAERP CCC[NH+]1CCN([C@@H](c2cccnc2)[C@H](C)[NH3+])CC1 ZINC000044419034 175173451 /nfs/dbraw/zinc/17/34/51/175173451.db2.gz ZQZIEPLRCVXRMH-DZGCQCFKSA-N 2 0 262.401 1.498 10 0 CDAERP C[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cnn(C)c1 ZINC000044499816 175185390 /nfs/dbraw/zinc/18/53/90/175185390.db2.gz CQTLJJCRABCYKX-YPRXJGMQSA-N 2 0 262.401 1.944 10 0 CDAERP C[C@H]1[C@H](NC(=O)C[NH+]2CCC(C[NH3+])CC2)CCC[C@@H]1C ZINC000044513668 175188706 /nfs/dbraw/zinc/18/87/06/175188706.db2.gz JLYNYEJQRJAFKX-GZBFAFLISA-N 2 0 281.444 1.598 10 0 CDAERP [NH3+]CC1CC[NH+](CCC(=O)NC2CCCCC2)CC1 ZINC000044513559 175188909 /nfs/dbraw/zinc/18/89/09/175188909.db2.gz DPAZBEVRZFGMTA-UHFFFAOYSA-N 2 0 267.417 1.496 10 0 CDAERP C[NH+]1CCC(C[NH2+]CC(=O)Nc2ccc(F)cc2)CC1 ZINC000044518393 175191196 /nfs/dbraw/zinc/19/11/96/175191196.db2.gz NSAPLWSHSIYGEI-UHFFFAOYSA-N 2 0 279.359 1.696 10 0 CDAERP CC[NH+](CC)CCCNC(=O)c1cnn(CCC[NH3+])c1C ZINC000044588296 175211532 /nfs/dbraw/zinc/21/15/32/175211532.db2.gz WJVVACRAKXDHAC-UHFFFAOYSA-N 2 0 295.431 1.002 10 0 CDAERP [NH3+]Cc1cccc(NC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000044680875 175229240 /nfs/dbraw/zinc/22/92/40/175229240.db2.gz PJPLKBVOVGRYJH-ZDUSSCGKSA-N 2 0 274.368 1.504 10 0 CDAERP CCCC(C[NH3+])(CCC)C(=O)NC[C@H]1CC[N@H+](CC)C1 ZINC000044802639 175256275 /nfs/dbraw/zinc/25/62/75/175256275.db2.gz NPOBVXOPKUOQCQ-CQSZACIVSA-N 2 0 283.460 1.990 10 0 CDAERP C[NH2+][C@H](C)c1ccc(S(=O)(=O)NC[C@H](C)[NH+](C)C)cc1 ZINC000045110236 175309847 /nfs/dbraw/zinc/30/98/47/175309847.db2.gz SRTAUYKZAZWIIJ-NWDGAFQWSA-N 2 0 299.440 1.195 10 0 CDAERP CCCC[N@H+](CC)CCCC[C@@](C)([NH2+]C)C(N)=O ZINC000045370479 175364192 /nfs/dbraw/zinc/36/41/92/175364192.db2.gz DCZRUGILMHIAMT-CQSZACIVSA-N 2 0 257.422 1.742 10 0 CDAERP CCC[NH2+][C@@](C)(CCC[N@@H+]1CCCC[C@@H]1C)C(N)=O ZINC000045376162 175366606 /nfs/dbraw/zinc/36/66/06/175366606.db2.gz PPPHEZHHCBWROO-ZFWWWQNUSA-N 2 0 269.433 1.885 10 0 CDAERP CC[NH2+][C@](C)(CCCC[NH+]1CCCCC1)C(N)=O ZINC000045378259 175367672 /nfs/dbraw/zinc/36/76/72/175367672.db2.gz BEYNWCXLQCGGLX-CQSZACIVSA-N 2 0 255.406 1.496 10 0 CDAERP CC[N@H+](CCC(=O)OC)C[C@H](C[NH3+])c1ccccc1 ZINC000070941110 176014560 /nfs/dbraw/zinc/01/45/60/176014560.db2.gz XMNSLTHQXOZSPS-AWEZNQCLSA-N 2 0 264.369 1.614 10 0 CDAERP CC[NH2+][C@H]1CCCN([C@H](C)C[NH+]2CCCC2)C1=O ZINC000071033590 176024133 /nfs/dbraw/zinc/02/41/33/176024133.db2.gz CTBPKMRMOWLRFW-OLZOCXBDSA-N 2 0 253.390 1.071 10 0 CDAERP C[NH2+][C@@H]1c2ccccc2C[C@H]1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188846 176063459 /nfs/dbraw/zinc/06/34/59/176063459.db2.gz XCQIEBMGSNUYFO-KBRIMQKVSA-N 2 0 273.424 1.755 10 0 CDAERP CCCC(C[NH3+])(CCC)C(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000071189089 176064448 /nfs/dbraw/zinc/06/44/48/176064448.db2.gz TWFBVEVRQSWWGC-AWEZNQCLSA-N 2 0 283.460 1.942 10 0 CDAERP CCC[C@@]1(CN(C)C[C@@H]2CC[N@H+](C)C2)CC[NH2+]C1 ZINC000071190959 176068981 /nfs/dbraw/zinc/06/89/81/176068981.db2.gz QQLVONNKTSMEKM-HUUCEWRRSA-N 2 0 253.434 1.650 10 0 CDAERP CC(C)[NH2+]CC(C)(C)CN(C)C[C@H]1CC[N@H+](C)C1 ZINC000071191511 176070506 /nfs/dbraw/zinc/07/05/06/176070506.db2.gz YSDKTDOKSUJWSU-AWEZNQCLSA-N 2 0 255.450 1.894 10 0 CDAERP C[C@H](CCC[NH2+]C1CC1)[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191843 176071031 /nfs/dbraw/zinc/07/10/31/176071031.db2.gz JASUDANFTWBYSX-ZIAGYGMSSA-N 3 0 253.434 1.791 10 0 CDAERP C[NH2+]Cc1cc(CN(C)C[C@@H]2CC[N@H+](C)C2)oc1C ZINC000071191942 176071288 /nfs/dbraw/zinc/07/12/88/176071288.db2.gz FMWLAWKOMQIRGI-CYBMUJFWSA-N 2 0 265.401 1.691 10 0 CDAERP CCOCCCC[NH2+]CCN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192164 176073040 /nfs/dbraw/zinc/07/30/40/176073040.db2.gz CVLYINUUEOXLSY-OAHLLOKOSA-N 2 0 271.449 1.276 10 0 CDAERP CCC[NH2+][C@H]1CCCN(C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000071200656 176077677 /nfs/dbraw/zinc/07/76/77/176077677.db2.gz RESUUEIEFPXJRI-CABCVRRESA-N 2 0 253.434 1.792 10 0 CDAERP COCC[N@H+](CCC[NH3+])Cc1cccc(OC)c1 ZINC000071224995 176088814 /nfs/dbraw/zinc/08/88/14/176088814.db2.gz QNFIUESUBXNEOG-UHFFFAOYSA-N 2 0 252.358 1.492 10 0 CDAERP COCC[N@H+](Cc1ccc(F)cc1C[NH3+])C1CC1 ZINC000071263377 176097084 /nfs/dbraw/zinc/09/70/84/176097084.db2.gz OYAWHJKPIKYZJL-UHFFFAOYSA-N 2 0 252.333 1.895 10 0 CDAERP CC(C)[NH2+]CCCCCC[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000071290023 176110345 /nfs/dbraw/zinc/11/03/45/176110345.db2.gz IBWWQURPURNAEH-QGZVFWFLSA-N 2 0 297.487 1.951 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000417541118 287390725 /nfs/dbraw/zinc/39/07/25/287390725.db2.gz XZAFTVAKETZHMT-YRGRVCCFSA-N 2 0 282.432 1.286 10 0 CDAERP CCOC(=O)CC[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000175726833 261244530 /nfs/dbraw/zinc/24/45/30/261244530.db2.gz DZCUXJPYARTQRR-CHWSQXEVSA-N 2 0 256.390 1.602 10 0 CDAERP CCn1nccc1C[N@H+](CCO)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414765476 263040925 /nfs/dbraw/zinc/04/09/25/263040925.db2.gz ZUWVXYUDAMFGBB-UONOGXRCSA-N 2 0 280.416 1.085 10 0 CDAERP C[C@@H](C[NH2+]CCCF)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001666928241 1173208499 /nfs/dbraw/zinc/20/84/99/1173208499.db2.gz ZJZKMWWYTUWADJ-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@H](C[NH2+]CCC1CC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001666938983 1173210346 /nfs/dbraw/zinc/21/03/46/1173210346.db2.gz PZBWYRAAASVTOC-UKRRQHHQSA-N 2 0 281.444 1.707 10 0 CDAERP COCC[N@@H+]1CC[C@H](NCCC[NH+](C)CC(C)C)C1 ZINC000651865651 423826016 /nfs/dbraw/zinc/82/60/16/423826016.db2.gz BWFKDQZKJZEFRQ-HNNXBMFYSA-N 2 0 271.449 1.275 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655444524 423850593 /nfs/dbraw/zinc/85/05/93/423850593.db2.gz GUHDGIDLKQAOJU-IIAWOOMASA-N 2 0 279.428 1.367 10 0 CDAERP Oc1ccc2c(c1)C[N@@H+](CC[C@H]1CC[NH2+]C1)CCO2 ZINC000662315152 423948058 /nfs/dbraw/zinc/94/80/58/423948058.db2.gz COPVBJKODNEQNH-GFCCVEGCSA-N 2 0 262.353 1.586 10 0 CDAERP c1cc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c2c(c1)C[NH2+]CC2 ZINC000662314664 423949151 /nfs/dbraw/zinc/94/91/51/423949151.db2.gz AJJAWEPYYHEIEQ-HOTGVXAUSA-N 2 0 272.392 1.801 10 0 CDAERP CO[C@@H](C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1)C1CCC1 ZINC000662326346 423957731 /nfs/dbraw/zinc/95/77/31/423957731.db2.gz RYBJDWGGFYGPDH-CVEARBPZSA-N 2 0 284.444 1.844 10 0 CDAERP C[C@]1(CNCc2nc3c(s2)C[NH2+]CC3)CCC[NH2+]C1 ZINC000663499903 423892784 /nfs/dbraw/zinc/89/27/84/423892784.db2.gz XBMGYMDIMILTNM-AWEZNQCLSA-N 2 0 280.441 1.268 10 0 CDAERP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655245852 424063480 /nfs/dbraw/zinc/06/34/80/424063480.db2.gz YZDCOBBLFWPQDZ-BJHJDKERSA-N 2 0 295.452 1.880 10 0 CDAERP [NH3+]C[C@H]1CC[C@H](CNC(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652218856 424076783 /nfs/dbraw/zinc/07/67/83/424076783.db2.gz FOAMMFHXXPVGHO-JOCQHMNTSA-N 2 0 282.432 1.180 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000652207014 424032661 /nfs/dbraw/zinc/03/26/61/424032661.db2.gz AMOJGKUSRMKEJZ-ZDUSSCGKSA-N 2 0 270.421 1.001 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000652202181 424049529 /nfs/dbraw/zinc/04/95/29/424049529.db2.gz CENQUAYCUBJATB-AWEZNQCLSA-N 2 0 284.448 1.263 10 0 CDAERP C[NH+](C)CCN(C(=O)NCCC1(C[NH3+])CC1)C1CCCC1 ZINC000652239448 424120505 /nfs/dbraw/zinc/12/05/05/424120505.db2.gz QQLXCXOVBZVMNK-UHFFFAOYSA-N 2 0 296.459 1.631 10 0 CDAERP C[C@@H](O)CNc1cc(NC[C@H]2CC[N@@H+]2C(C)(C)C)ncn1 ZINC000664142272 424152152 /nfs/dbraw/zinc/15/21/52/424152152.db2.gz HTPVUNBZDARJAI-VXGBXAGGSA-N 2 0 293.415 1.554 10 0 CDAERP CC[C@H]([NH3+])CNC(=O)NCCC[N@H+](C)CC(C)C ZINC000652222348 424099818 /nfs/dbraw/zinc/09/98/18/424099818.db2.gz LQYMWSAWQNVMCJ-LBPRGKRZSA-N 2 0 258.410 1.001 10 0 CDAERP CN(CC[NH+]1CCCCC1)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000653273634 424208684 /nfs/dbraw/zinc/20/86/84/424208684.db2.gz JNXGGDLSOOJXHY-XHSDSOJGSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@H]2CCC[NH2+]CC2)cc1 ZINC000653054164 424176633 /nfs/dbraw/zinc/17/66/33/424176633.db2.gz AWGBQWMVAJGLOK-DOMZBBRYSA-N 2 0 275.396 1.712 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)c1ccnc(C[NH3+])c1 ZINC000664718205 424323664 /nfs/dbraw/zinc/32/36/64/424323664.db2.gz ACXSVUODDGURRE-UHFFFAOYSA-N 2 0 278.400 1.391 10 0 CDAERP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccc(C[NH3+])cc1 ZINC000662693257 424326228 /nfs/dbraw/zinc/32/62/28/424326228.db2.gz IFIAELVZDFUDLD-CQSZACIVSA-N 2 0 289.423 1.996 10 0 CDAERP O=C([C@H]1CC[C@H](C2CC2)[NH2+]1)N1CCC2(CC[NH2+]C2)CC1 ZINC000653143043 424366628 /nfs/dbraw/zinc/36/66/28/424366628.db2.gz BLSUELQHKUOTBF-ZIAGYGMSSA-N 2 0 277.412 1.119 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655483917 424486262 /nfs/dbraw/zinc/48/62/62/424486262.db2.gz JRYSJDNVYIUNSQ-DOTOQJQBSA-N 2 0 287.407 1.412 10 0 CDAERP C[C@H](CNC(=O)C1([NH3+])CCCCC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655489536 424506244 /nfs/dbraw/zinc/50/62/44/424506244.db2.gz SWCVFRAPXRTUPE-MCIONIFRSA-N 2 0 297.443 1.262 10 0 CDAERP CC(C)Cn1nccc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000647171645 424636703 /nfs/dbraw/zinc/63/67/03/424636703.db2.gz QXUPVULIRIYMBK-UHFFFAOYSA-N 2 0 294.443 1.741 10 0 CDAERP CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001667210717 1173246168 /nfs/dbraw/zinc/24/61/68/1173246168.db2.gz LZVXAUPLJSJYFM-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000257737509 270308069 /nfs/dbraw/zinc/30/80/69/270308069.db2.gz WGMWXALALSXWFS-MGPQQGTHSA-N 2 0 267.417 1.495 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](C)CC(F)(F)F ZINC000397020505 270345798 /nfs/dbraw/zinc/34/57/98/270345798.db2.gz RXBMGSAHCWMYEE-UWVGGRQHSA-N 2 0 256.312 1.918 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1COc2ccc(F)cc2C1 ZINC000423124940 274503459 /nfs/dbraw/zinc/50/34/59/274503459.db2.gz PKKNFMNGHNZFRS-OUJBWJOFSA-N 2 0 252.333 1.845 10 0 CDAERP C(C[NH+]1CCCCCC1)N[C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261988630 275391128 /nfs/dbraw/zinc/39/11/28/275391128.db2.gz SLQZBUZAGALIGE-ZACQAIPSSA-N 2 0 295.471 1.609 10 0 CDAERP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCCc3n[nH]cc32)CC1 ZINC000367618209 276197092 /nfs/dbraw/zinc/19/70/92/276197092.db2.gz SEHRMAFSJNUKGR-ZFWWWQNUSA-N 2 0 291.443 1.403 10 0 CDAERP C([C@@H]1CCC[NH2+]C1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000336056322 276818238 /nfs/dbraw/zinc/81/82/38/276818238.db2.gz FDGSNLRCPWEVCG-CVEARBPZSA-N 2 0 265.445 1.936 10 0 CDAERP CC[C@H]([NH3+])CN[C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000423459708 287931833 /nfs/dbraw/zinc/93/18/33/287931833.db2.gz IGXYYNJQNQABSU-IMJJTQAJSA-N 2 0 277.412 1.815 10 0 CDAERP COCCN1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422703828 277221800 /nfs/dbraw/zinc/22/18/00/277221800.db2.gz IYBJVFTYXSSECZ-LTIDMASMSA-N 2 0 295.471 1.608 10 0 CDAERP CC(C)C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000261750815 277385648 /nfs/dbraw/zinc/38/56/48/277385648.db2.gz MOSXZCNSLZHWPM-UKRRQHHQSA-N 2 0 281.444 1.598 10 0 CDAERP CC(C)C[NH+]1CCC(N[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000358020631 277386424 /nfs/dbraw/zinc/38/64/24/277386424.db2.gz FNYZURUXTSXDIV-DZGCQCFKSA-N 2 0 253.434 1.647 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H](CN[C@H]2C[NH+](C)C[C@H]2C)C1 ZINC000358335169 277397500 /nfs/dbraw/zinc/39/75/00/277397500.db2.gz ARADHNFLAKVTDU-OAGGEKHMSA-N 2 0 267.461 1.894 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CCCF ZINC001668320701 1173395609 /nfs/dbraw/zinc/39/56/09/1173395609.db2.gz SOUCLTWMTDMEDD-KGLIPLIRSA-N 2 0 287.423 1.705 10 0 CDAERP CC(C)[C@H]([NH3+])CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000418406520 277908370 /nfs/dbraw/zinc/90/83/70/277908370.db2.gz LVLSJPPTRQSEDA-LSDHHAIUSA-N 2 0 296.459 1.630 10 0 CDAERP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCC(=O)NC2(C)C)CC1 ZINC000336519281 278341938 /nfs/dbraw/zinc/34/19/38/278341938.db2.gz CFUBHBJRULNRSI-ZDUSSCGKSA-N 2 0 281.444 1.896 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171901794 279124558 /nfs/dbraw/zinc/12/45/58/279124558.db2.gz UAHWIECGQFREOX-HUUCEWRRSA-N 2 0 296.459 1.452 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000414706839 279180275 /nfs/dbraw/zinc/18/02/75/279180275.db2.gz OQQPUAXKKHDTGC-GJZGRUSLSA-N 2 0 269.433 1.014 10 0 CDAERP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)CC2(OC)CCC2)CC1 ZINC000429522025 279365965 /nfs/dbraw/zinc/36/59/65/279365965.db2.gz ODYXGLVCVBPQNA-CVEARBPZSA-N 2 0 297.487 1.950 10 0 CDAERP CC(C)[C@H](CO)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000348297570 280260470 /nfs/dbraw/zinc/26/04/70/280260470.db2.gz ZQZZFKVDNRVQGD-XQLPTFJDSA-N 2 0 254.418 1.713 10 0 CDAERP C[C@@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)[NH+](C)C1CC1 ZINC000246187318 280261866 /nfs/dbraw/zinc/26/18/66/280261866.db2.gz MESORDHXPMGDNL-IPYPFGDCSA-N 2 0 296.459 1.593 10 0 CDAERP O=C1C[C@H](c2ccccc2)[N@H+](CC[C@H]2CC[NH2+]C2)CCN1 ZINC000420323426 280273662 /nfs/dbraw/zinc/27/36/62/280273662.db2.gz UGLMBPJPPFKTEP-GDBMZVCRSA-N 2 0 287.407 1.549 10 0 CDAERP C[C@H](CNC(=O)N(C)CCC[NH+](C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000248616736 280367936 /nfs/dbraw/zinc/36/79/36/280367936.db2.gz MAMUJIIEAKSZQC-HUUCEWRRSA-N 2 0 298.475 1.700 10 0 CDAERP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000522010318 281083232 /nfs/dbraw/zinc/08/32/32/281083232.db2.gz OJHBXLJBVOFORZ-JJMZSNKZSA-N 2 0 253.390 1.090 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1CC[C@@H]1CC[NH2+]C1 ZINC000251898321 288298045 /nfs/dbraw/zinc/29/80/45/288298045.db2.gz WEEMZDHYIATTFA-ILXRZTDVSA-N 2 0 251.418 1.545 10 0 CDAERP C[NH+](C)[C@H]1CCC[N@H+](C[C@H](O)CC2(O)CCC2)CC1 ZINC000528478573 281242050 /nfs/dbraw/zinc/24/20/50/281242050.db2.gz UJGFQDSVKBYSGI-UONOGXRCSA-N 2 0 270.417 1.069 10 0 CDAERP CC1(C)COC[C@@H]1[NH2+]CCC[NH2+][C@H]1COCC1(C)C ZINC000451813703 281291254 /nfs/dbraw/zinc/29/12/54/281291254.db2.gz RSXDILOOOYIDGR-STQMWFEESA-N 2 0 270.417 1.406 10 0 CDAERP C[NH+](C)CCCNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000348339320 289115896 /nfs/dbraw/zinc/11/58/96/289115896.db2.gz LPPNRLDNDMQQNT-ZDUSSCGKSA-N 2 0 255.406 1.319 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000087619343 289210341 /nfs/dbraw/zinc/21/03/41/289210341.db2.gz HACQYGLMEYUKOY-ZBFHGGJFSA-N 2 0 287.407 1.426 10 0 CDAERP CC(C)C[C@H]([NH2+]Cc1ccco1)C(=O)NCC[NH+](C)C ZINC000157336433 289284050 /nfs/dbraw/zinc/28/40/50/289284050.db2.gz VMKBPTFNWMOFLF-AWEZNQCLSA-N 2 0 281.400 1.462 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000247136523 289299844 /nfs/dbraw/zinc/29/98/44/289299844.db2.gz SPQDPYYBDGFQES-KFWWJZLASA-N 2 0 294.443 1.349 10 0 CDAERP CN(C)c1cc[nH+]cc1C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000189528737 289428320 /nfs/dbraw/zinc/42/83/20/289428320.db2.gz HHKUZPNHFIOXOC-UHFFFAOYSA-N 2 0 290.411 1.704 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000423030690 292804375 /nfs/dbraw/zinc/80/43/75/292804375.db2.gz CGUIGTYOZZCCEU-CQSZACIVSA-N 3 0 271.449 1.452 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H](c2ccsc2)[NH+](C)C)C1 ZINC000561113825 293051516 /nfs/dbraw/zinc/05/15/16/293051516.db2.gz NMOKUEMCZAPVRA-GXTWGEPZSA-N 2 0 295.452 1.809 10 0 CDAERP C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000562809371 293201150 /nfs/dbraw/zinc/20/11/50/293201150.db2.gz RGSOOGGDXDBAOV-KOLCDFICSA-N 2 0 277.343 1.408 10 0 CDAERP CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC000562983618 293233692 /nfs/dbraw/zinc/23/36/92/293233692.db2.gz AFLZIXXZTRWHKY-BRWVUGGUSA-N 2 0 297.487 1.399 10 0 CDAERP CC(C)OC[C@@H](O)C[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000563013778 293245454 /nfs/dbraw/zinc/24/54/54/293245454.db2.gz MDENAJXEBBJCMR-GJZGRUSLSA-N 2 0 272.433 1.626 10 0 CDAERP CN(C(=O)c1cc(-n2ccnc2)ccn1)[C@@H](C[NH3+])C1CC1 ZINC000563115517 293278811 /nfs/dbraw/zinc/27/88/11/293278811.db2.gz USUFTJKJWKJAMU-AWEZNQCLSA-N 2 0 285.351 1.077 10 0 CDAERP CC(C)[C@@H](C(=O)N1CC2CCC1(C[NH3+])CC2)[C@H](C)[NH3+] ZINC000564344133 293347472 /nfs/dbraw/zinc/34/74/72/293347472.db2.gz WGYAKRFULRNYDU-OYNVLQORSA-N 2 0 267.417 1.336 10 0 CDAERP C[NH2+]CC1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000564991615 293483948 /nfs/dbraw/zinc/48/39/48/293483948.db2.gz MMJJILJPGMLDSU-UHFFFAOYSA-N 2 0 276.384 1.219 10 0 CDAERP [NH3+]Cc1ccc(CNC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc1 ZINC000565597799 293643682 /nfs/dbraw/zinc/64/36/82/293643682.db2.gz VJKGGTOOAZAKOL-OAHLLOKOSA-N 2 0 288.395 1.181 10 0 CDAERP C[C@@H]1CC[NH2+][C@H](C(=O)N2CC3CCC2(C[NH3+])CC3)C1 ZINC000568876964 294116813 /nfs/dbraw/zinc/11/68/13/294116813.db2.gz YLKXMHYTQSREGN-UQJCBBSYSA-N 2 0 265.401 1.104 10 0 CDAERP C[NH2+]C[C@](C)(O)C[N@@H+]1CCCC[C@@H](CCOC)C1 ZINC000570575539 294264927 /nfs/dbraw/zinc/26/49/27/294264927.db2.gz VEDAJMWQTUGLGL-KBPBESRZSA-N 2 0 258.406 1.095 10 0 CDAERP CCCC[NH+]1CCC([NH2+]C[C@H](O)COC(C)C)CC1 ZINC000570710744 294294585 /nfs/dbraw/zinc/29/45/85/294294585.db2.gz JLIJNWJZJNSETK-HNNXBMFYSA-N 2 0 272.433 1.626 10 0 CDAERP C[NH+]1CCN(C[C@H](O)C[NH2+]C(C2CCC2)C2CCC2)CC1 ZINC000573359765 294803139 /nfs/dbraw/zinc/80/31/39/294803139.db2.gz GIJVFAWJMHLCOC-MRXNPFEDSA-N 2 0 295.471 1.153 10 0 CDAERP NC(=O)C[C@H]1CCCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420304464 295058370 /nfs/dbraw/zinc/05/83/70/295058370.db2.gz ONTYRYFZGPXLII-QWHCGFSZSA-N 2 0 253.390 1.106 10 0 CDAERP COc1ccc([C@H](N[C@H]2CCC[NH2+]C2)[C@H]2CCC[NH2+]2)cc1 ZINC000423190738 295245998 /nfs/dbraw/zinc/24/59/98/295245998.db2.gz OAHPBUHAWDPFTE-UAGQMJEPSA-N 2 0 289.423 1.830 10 0 CDAERP [NH3+][C@@H](C(=O)N1CC[NH2+]C[C@H]1c1ccccc1)C1CCC1 ZINC000333320228 295292313 /nfs/dbraw/zinc/29/23/13/295292313.db2.gz UITLXZMYUNHKRM-LSDHHAIUSA-N 2 0 273.380 1.287 10 0 CDAERP [NH3+][C@@H]1C[C@H](NC[C@@H]2CCCC[N@@H+]2CCO)c2ccccc21 ZINC000423146153 295325779 /nfs/dbraw/zinc/32/57/79/295325779.db2.gz OGPNOOVJPNOJBY-XKQJLSEDSA-N 2 0 289.423 1.568 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000423397262 297107728 /nfs/dbraw/zinc/10/77/28/297107728.db2.gz OHMHQUBKZPVKJX-FQKPHLNHSA-N 2 0 251.418 1.447 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H](C)CC[NH3+])cc1 ZINC000418461504 299003735 /nfs/dbraw/zinc/00/37/35/299003735.db2.gz LYGNIZPJSIEFAH-QWRGUYRKSA-N 2 0 264.373 1.243 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCCC23CC[NH+](C)CC3)CC[N@@H+]1C ZINC000335175272 300397668 /nfs/dbraw/zinc/39/76/68/300397668.db2.gz MIZDDXNWHSMHRK-GJZGRUSLSA-N 2 0 293.455 1.804 10 0 CDAERP Cc1ccc([C@H](CNC(=O)N[C@@H](C)[C@H](C)[NH3+])[NH+](C)C)cc1 ZINC000417313330 301794671 /nfs/dbraw/zinc/79/46/71/301794671.db2.gz PBYWQNYGUMGQPQ-YDHLFZDLSA-N 2 0 292.427 1.633 10 0 CDAERP CCCC[NH2+]C[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001669421607 1173547528 /nfs/dbraw/zinc/54/75/28/1173547528.db2.gz QIFUKNXUIYENJP-NWDGAFQWSA-N 2 0 266.389 1.483 10 0 CDAERP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCCC[NH3+])[NH+](C)C ZINC000418174497 302201047 /nfs/dbraw/zinc/20/10/47/302201047.db2.gz FARRYJNRCDLACT-HIFRSBDPSA-N 2 0 292.427 1.634 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]CCCF)[NH+]1CCCC1 ZINC001669482388 1173554839 /nfs/dbraw/zinc/55/48/39/1173554839.db2.gz KNIGZONOVARGMZ-ZIAGYGMSSA-N 2 0 287.423 1.561 10 0 CDAERP [NH3+]C1(CNC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CCCCC1 ZINC000262280691 303359450 /nfs/dbraw/zinc/35/94/50/303359450.db2.gz XAVKJCHTIOYSEM-XJKSGUPXSA-N 2 0 279.428 1.544 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371232272 303459911 /nfs/dbraw/zinc/45/99/11/303459911.db2.gz RNQIGWFGWZLLHK-FQUUOJAGSA-N 2 0 265.401 1.104 10 0 CDAERP O=C(NCC[C@@H]1CCC[NH2+]C1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000238141897 303779664 /nfs/dbraw/zinc/77/96/64/303779664.db2.gz COXOLKIDXRMPJA-AJNGGQMLSA-N 2 0 279.428 1.413 10 0 CDAERP O=C(N[C@@H]1CCCC[NH2+]C1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000333682884 303837019 /nfs/dbraw/zinc/83/70/19/303837019.db2.gz OZZZHLZYQCUFMM-LSDHHAIUSA-N 2 0 294.443 1.160 10 0 CDAERP C[C@@H](C[NH2+]CC1=CCCCC1)NC(=O)C[NH+]1CCCC1 ZINC001669741207 1173591829 /nfs/dbraw/zinc/59/18/29/1173591829.db2.gz KJLSSZAJRKXFEE-AWEZNQCLSA-N 2 0 279.428 1.677 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C[N@H+](C)CC1CCC1)[NH+](C)C ZINC001669910136 1173629905 /nfs/dbraw/zinc/62/99/05/1173629905.db2.gz MEJPVAXOXWMZOR-TZMCWYRMSA-N 2 0 269.433 1.563 10 0 CDAERP CCOCC[NH2+]CCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001670162144 1173658369 /nfs/dbraw/zinc/65/83/69/1173658369.db2.gz IKDLMEZGOGVZPO-UHFFFAOYSA-N 2 0 297.443 1.089 10 0 CDAERP CN(CCC[NH2+]CC[C@H]1CCCO1)C(=O)C[NH+]1CCCC1 ZINC001670344971 1173673457 /nfs/dbraw/zinc/67/34/57/1173673457.db2.gz LZBSNJGXVDDNQW-OAHLLOKOSA-N 2 0 297.443 1.089 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCc1nnnn1-c1ccccc1 ZINC000576219581 317097228 /nfs/dbraw/zinc/09/72/28/317097228.db2.gz XMCNLZBWTHMUNF-ZIAGYGMSSA-N 2 0 286.383 1.064 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC000576290847 317112644 /nfs/dbraw/zinc/11/26/44/317112644.db2.gz QXNRAEWDKRWWHD-KBPBESRZSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])NC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000577392064 317322963 /nfs/dbraw/zinc/32/29/63/317322963.db2.gz LCNZRPFZSNBRBG-TUAOUCFPSA-N 2 0 278.400 1.631 10 0 CDAERP CC(C)=CC[N@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001672562798 1173783784 /nfs/dbraw/zinc/78/37/84/1173783784.db2.gz IRIVENQIKIHIFD-JKSUJKDBSA-N 2 0 293.455 1.827 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)CC(F)(F)CN ZINC000579137141 324117492 /nfs/dbraw/zinc/11/74/92/324117492.db2.gz HZLSWGMXTUZQFE-LLVKDONJSA-N 2 0 277.359 1.351 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCCC[C@H]2[NH3+])[C@H]1n1cccn1 ZINC000579461590 324190437 /nfs/dbraw/zinc/19/04/37/324190437.db2.gz GYCIFBROUFCYTD-IBEHDNSVSA-N 2 0 292.427 1.851 10 0 CDAERP C[C@H]([NH3+])CCC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000580429124 324460681 /nfs/dbraw/zinc/46/06/81/324460681.db2.gz RFMKJMTXQUTJSD-HIFPTAJRSA-N 2 0 253.390 1.247 10 0 CDAERP [NH3+]C[C@H](NC(=O)NC1CC([NH+]2CCCCC2)C1)C1CC1 ZINC000582595828 325005004 /nfs/dbraw/zinc/00/50/04/325005004.db2.gz UETCKNONILMYGU-RUXDESIVSA-N 2 0 280.416 1.040 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCC1CC[NH2+]CC1 ZINC000583013883 325088690 /nfs/dbraw/zinc/08/86/90/325088690.db2.gz VMZYBAXSDIDWIF-OKILXGFUSA-N 2 0 296.459 1.548 10 0 CDAERP C[N@H+](CCN1CCOCC1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000583208526 325129826 /nfs/dbraw/zinc/12/98/26/325129826.db2.gz FUJFZQSSMKWCCF-UHFFFAOYSA-N 2 0 289.423 1.096 10 0 CDAERP CCC[NH+]1CCC(C[NH2+]C[C@H](O)COCC)CC1 ZINC000584168020 327055368 /nfs/dbraw/zinc/05/53/68/327055368.db2.gz PDBWCMDUSUTRLE-AWEZNQCLSA-N 2 0 258.406 1.095 10 0 CDAERP CCOCCC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001267281805 1159234559 /nfs/dbraw/zinc/23/45/59/1159234559.db2.gz LXMGDZWLCLEGRK-HNNXBMFYSA-N 2 0 297.443 1.089 10 0 CDAERP CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001698922794 1175984918 /nfs/dbraw/zinc/98/49/18/1175984918.db2.gz IDDZELAAJLUSNA-KBPBESRZSA-N 2 0 267.417 1.319 10 0 CDAERP CN(C(=O)C[C@H]([NH3+])C(C)(C)C)[C@@H]1C[NH+]2CCC1CC2 ZINC000394119141 1159537655 /nfs/dbraw/zinc/53/76/55/1159537655.db2.gz VDPGJOLWCAFTCN-OLZOCXBDSA-N 2 0 267.417 1.303 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]CC1CC(C)C1 ZINC001268717427 1160007491 /nfs/dbraw/zinc/00/74/91/1160007491.db2.gz ZOPGQEFPWQOTJE-MOKVOYLWSA-N 2 0 269.433 1.467 10 0 CDAERP COc1cccc([C@@H](CNC(=O)CC2([NH3+])CC2)[NH+](C)C)c1 ZINC000398187456 482246850 /nfs/dbraw/zinc/24/68/50/482246850.db2.gz QGUOKVLJXYPSPD-CQSZACIVSA-N 2 0 291.395 1.296 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000652291866 482459086 /nfs/dbraw/zinc/45/90/86/482459086.db2.gz LBQFFIOIBDUFOE-FZMZJTMJSA-N 2 0 276.384 1.037 10 0 CDAERP CN(Cc1ccnn1-c1cc[nH+]cc1)CC1C[NH+](C)C1 ZINC000668539341 482471514 /nfs/dbraw/zinc/47/15/14/482471514.db2.gz STNYACGBQOCLNU-UHFFFAOYSA-N 2 0 271.368 1.261 10 0 CDAERP C[C@H]1C[C@@H](N(C)C(=O)C2([NH+](C)C)CC2)CC[N@@H+]1C ZINC000669126698 482479962 /nfs/dbraw/zinc/47/99/62/482479962.db2.gz ZQLLYEDIRJCNNW-RYUDHWBXSA-N 2 0 253.390 1.022 10 0 CDAERP C[NH+](C)C1(C(=O)N2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000668678924 482501055 /nfs/dbraw/zinc/50/10/55/482501055.db2.gz UYZYEBQLCFPFNV-UHFFFAOYSA-N 2 0 279.428 1.415 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000417282844 482578723 /nfs/dbraw/zinc/57/87/23/482578723.db2.gz BMHZEULDJJJOEQ-FRRDWIJNSA-N 2 0 270.421 1.014 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](CO)CC2)[C@H]2CCC[C@H]21 ZINC000671750606 482621267 /nfs/dbraw/zinc/62/12/67/482621267.db2.gz KAGQXJZLZZTXIL-DGADGQDISA-N 2 0 266.429 2.000 10 0 CDAERP C[C@H](CC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)C1CC[NH2+]CC1 ZINC000334267572 482715770 /nfs/dbraw/zinc/71/57/70/482715770.db2.gz NVIDPQLJILQTGD-RHSMWYFYSA-N 2 0 293.455 1.614 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000684367922 482776901 /nfs/dbraw/zinc/77/69/01/482776901.db2.gz ILWPFAPTRMPCJA-NFOMZHRRSA-N 2 0 294.443 1.397 10 0 CDAERP C[NH+](C/C=C/C[N@@H+](C)C1CCOCC1)C1CCOCC1 ZINC000673755448 482832995 /nfs/dbraw/zinc/83/29/95/482832995.db2.gz LZQZDFDDXMJYAQ-ONEGZZNKSA-N 2 0 282.428 1.764 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)C[C@@H]([NH3+])C(C)C)CC1 ZINC000136412120 482917584 /nfs/dbraw/zinc/91/75/84/482917584.db2.gz PUXOTTUCPGMVDN-CQSZACIVSA-N 2 0 269.433 1.693 10 0 CDAERP c1cc2cnccc2c(C[NH2+]CCN2CC[NH2+]CC2)c1 ZINC000666814889 482932313 /nfs/dbraw/zinc/93/23/13/482932313.db2.gz CUGQQBVQFCVHQW-UHFFFAOYSA-N 2 0 270.380 1.230 10 0 CDAERP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC/C=C/C[NH3+] ZINC000669409515 482956175 /nfs/dbraw/zinc/95/61/75/482956175.db2.gz JIICMXRQTBUUCZ-HFWDOJOYSA-N 2 0 282.432 1.167 10 0 CDAERP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(C(=O)NC2CC2)cc1 ZINC000666878518 482959915 /nfs/dbraw/zinc/95/99/15/482959915.db2.gz DYPSAMCXAIALPI-LRDDRELGSA-N 2 0 287.407 1.666 10 0 CDAERP Cc1cccn2cc(CN3CC[N@H+](CCO)[C@@H](C)C3)nc12 ZINC000681711680 483043802 /nfs/dbraw/zinc/04/38/02/483043802.db2.gz GRAGQLISAIYQNS-AWEZNQCLSA-N 2 0 288.395 1.141 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000667040002 483061767 /nfs/dbraw/zinc/06/17/67/483061767.db2.gz KCLSNAAYCWCOJN-DZGCQCFKSA-N 2 0 299.422 1.992 10 0 CDAERP C[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089460084 483085062 /nfs/dbraw/zinc/08/50/62/483085062.db2.gz QOHXJFXPLQMTMD-BBRMVZONSA-N 2 0 289.423 1.739 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)NCC[NH2+]C2CC2)CC1 ZINC000669433304 483093558 /nfs/dbraw/zinc/09/35/58/483093558.db2.gz OUBXYHZNKNSSIY-UHFFFAOYSA-N 2 0 282.432 1.160 10 0 CDAERP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H]1CC2CCC1CC2 ZINC000311079651 483207709 /nfs/dbraw/zinc/20/77/09/483207709.db2.gz OBJIQMKDTZPNSX-WUCCLRPBSA-N 2 0 254.418 1.856 10 0 CDAERP CN(C(=O)[C@@H]1CCc2nc[nH]c2C1)C1CC[NH+](C)CC1 ZINC000220516261 483251329 /nfs/dbraw/zinc/25/13/29/483251329.db2.gz CMTMEPMBJMSYSC-LLVKDONJSA-N 2 0 276.384 1.067 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2NCCc3ccccc32)C1 ZINC000221201669 483311706 /nfs/dbraw/zinc/31/17/06/483311706.db2.gz JKVDWUNFAWMMFY-DZGCQCFKSA-N 2 0 273.380 1.084 10 0 CDAERP C[NH+]1CCC[C@@H]2CN(C(=O)N[C@H]3CCC[N@@H+](C)C3)CC[C@@H]21 ZINC000675962059 483386465 /nfs/dbraw/zinc/38/64/65/483386465.db2.gz AVFHZJDVFSJRDU-ILXRZTDVSA-N 2 0 294.443 1.206 10 0 CDAERP C[N@@H+]1CCC[C@@H]2CN(Cc3cn(C4CCC4)nn3)CC[C@@H]21 ZINC000667705942 483389978 /nfs/dbraw/zinc/38/99/78/483389978.db2.gz OJOZXTHGGFYFIO-CJNGLKHVSA-N 2 0 289.427 1.919 10 0 CDAERP CC[C@@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@@H]1O ZINC000667710802 483393694 /nfs/dbraw/zinc/39/36/94/483393694.db2.gz PCKLGCRLJOUXLK-DOMZBBRYSA-N 2 0 272.352 1.470 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)C[C@@H]([NH3+])C(C)C ZINC000136407013 483402441 /nfs/dbraw/zinc/40/24/41/483402441.db2.gz NPPHACWPAUBBNH-CYBMUJFWSA-N 2 0 257.422 1.406 10 0 CDAERP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]C2CSC2)c1 ZINC000679840625 483450333 /nfs/dbraw/zinc/45/03/33/483450333.db2.gz LKBNGHHECYUWPC-UHFFFAOYSA-N 2 0 293.436 1.183 10 0 CDAERP COC1(C[C@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)CCC1 ZINC000683228090 483450786 /nfs/dbraw/zinc/45/07/86/483450786.db2.gz SJRMISCGMYZGLU-INIZCTEOSA-N 2 0 297.487 1.951 10 0 CDAERP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667935199 483485077 /nfs/dbraw/zinc/48/50/77/483485077.db2.gz GOHDEAJFSDVXRL-HOCLYGCPSA-N 2 0 281.444 1.170 10 0 CDAERP C[C@@H]1CCC[C@@H]([NH+]2CCC(NCc3cn(C)nn3)CC2)C1 ZINC000679994524 483510993 /nfs/dbraw/zinc/51/09/93/483510993.db2.gz VXDZCZCUOVZPMA-CZUORRHYSA-N 2 0 291.443 1.948 10 0 CDAERP C[N@@H+]1CCC[C@@H](N2CC[NH+](CC[C@H]3CCCCO3)CC2)C1 ZINC000680376889 483602315 /nfs/dbraw/zinc/60/23/15/483602315.db2.gz RKMXIYYZVWPTIQ-IAGOWNOFSA-N 2 0 295.471 1.657 10 0 CDAERP C[C@@H](C[NH2+]CCCC1CCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001483293972 1160893229 /nfs/dbraw/zinc/89/32/29/1160893229.db2.gz PLTJZGBZKDRGIK-ZFWWWQNUSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)C[NH2+]CC(C)(C)CN1CCN(CC[NH+](C)C)CC1 ZINC000061653763 519742959 /nfs/dbraw/zinc/74/29/59/519742959.db2.gz NSVTYUKBMDDQMH-UHFFFAOYSA-N 2 0 298.519 1.437 10 0 CDAERP CCC[NH2+]CC1(C[N@H+](C)[C@@H](C)COC)CCOCC1 ZINC000052182471 519909161 /nfs/dbraw/zinc/90/91/61/519909161.db2.gz UDVHZNCJJBSNCX-AWEZNQCLSA-N 2 0 272.433 1.750 10 0 CDAERP CC[NH2+]Cc1ccc(CN2CCC[N@H+](C)CC2)cc1 ZINC000052424337 519995930 /nfs/dbraw/zinc/99/59/30/519995930.db2.gz HGAJVQRVSMFABO-UHFFFAOYSA-N 2 0 261.413 1.934 10 0 CDAERP CCC[NH2+][C@](C)(CCC[N@H+](CC)CC1CC1)C(N)=O ZINC000069239484 520105622 /nfs/dbraw/zinc/10/56/22/520105622.db2.gz SPBFKMRSIOZBTE-OAHLLOKOSA-N 2 0 269.433 1.742 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000061273619 520168014 /nfs/dbraw/zinc/16/80/14/520168014.db2.gz YLEVNXATXFNILY-UKRRQHHQSA-N 2 0 277.412 1.794 10 0 CDAERP CCCCOCCOC[C@H](O)C[NH2+][C@H](C)CC[NH+](C)C ZINC000049557217 520788778 /nfs/dbraw/zinc/78/87/78/520788778.db2.gz PONKUMDVVAXVRW-HUUCEWRRSA-N 2 0 290.448 1.110 10 0 CDAERP CC[N@H+](CCOC)Cc1ccoc1C[NH2+]C1CC1 ZINC000052542694 521134974 /nfs/dbraw/zinc/13/49/74/521134974.db2.gz CQOROBZXSSRJHX-UHFFFAOYSA-N 2 0 252.358 2.000 10 0 CDAERP CC[NH+]1CCC(N(C)CC[NH2+]C[C@H]2CCOC2)CC1 ZINC000053435739 521561962 /nfs/dbraw/zinc/56/19/62/521561962.db2.gz XRPMFLANNMBISE-CQSZACIVSA-N 2 0 269.433 1.029 10 0 CDAERP C[C@@H](C[NH2+]CCC(F)(F)F)N(C)C(=O)CCC[NH+](C)C ZINC001714741830 1179368231 /nfs/dbraw/zinc/36/82/31/1179368231.db2.gz CSRBQNLPZVGNTB-NSHDSACASA-N 2 0 297.365 1.717 10 0 CDAERP CC(C)[NH+]1CCN(C(=O)CC[C@@H]2CCCC[NH2+]2)CC1 ZINC000050942871 519678588 /nfs/dbraw/zinc/67/85/88/519678588.db2.gz FVSSQDVQZVODBY-AWEZNQCLSA-N 2 0 267.417 1.461 10 0 CDAERP CC(C)[NH+]1CCN(C(=O)[C@H]2CC[C@H](C)[C@@H]([NH3+])C2)CC1 ZINC000055129197 519680585 /nfs/dbraw/zinc/68/05/85/519680585.db2.gz TVXUZPIJFGIWSI-IHRRRGAJSA-N 2 0 267.417 1.303 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CC[C@@H](C[N@@H+]2CCCN(C)CC2)O1 ZINC000052424373 519723772 /nfs/dbraw/zinc/72/37/72/519723772.db2.gz YQDOHPYMJFPHKH-GJZGRUSLSA-N 2 0 269.433 1.170 10 0 CDAERP CC(C)C[NH+]1CCN([C@H](CC[NH3+])C(F)(F)F)CC1 ZINC000055077647 519727937 /nfs/dbraw/zinc/72/79/37/519727937.db2.gz MNQOGXGPADKIIH-LLVKDONJSA-N 2 0 267.339 1.540 10 0 CDAERP CC(C)C[NH2+]C[C@H](C)CN1CCC[C@@H]1C[NH+](C)C ZINC000061654722 519745818 /nfs/dbraw/zinc/74/58/18/519745818.db2.gz HFLGBZIEKYPPFW-LSDHHAIUSA-N 2 0 255.450 1.894 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000061612874 519793412 /nfs/dbraw/zinc/79/34/12/519793412.db2.gz LQOGEFRCZKGFSK-HUUCEWRRSA-N 2 0 277.412 1.431 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055090088 519814176 /nfs/dbraw/zinc/81/41/76/519814176.db2.gz NCCKWBIJQPTXCD-AGIUHOORSA-N 2 0 255.406 1.206 10 0 CDAERP CC(C)[C@H]([NH3+])CCN(C)C(=O)c1ccc(C[NH3+])cc1 ZINC000236617343 519817776 /nfs/dbraw/zinc/81/77/76/519817776.db2.gz CZGGGXRJVKCYDG-CQSZACIVSA-N 2 0 263.385 1.591 10 0 CDAERP CCC[NH+]1CCN(Cc2csc(C[NH3+])n2)CC1 ZINC000052421917 519858913 /nfs/dbraw/zinc/85/89/13/519858913.db2.gz ZEPXASXBRZJCNL-UHFFFAOYSA-N 2 0 254.403 1.129 10 0 CDAERP CC[NH2+]C1CCN([C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000049568541 519909152 /nfs/dbraw/zinc/90/91/52/519909152.db2.gz JYFGEHSEOMIQOV-HUUCEWRRSA-N 2 0 251.418 1.687 10 0 CDAERP CC[NH2+]CC1(C[N@H+](C)C[C@@H]2CCCCO2)CCOCC1 ZINC000052182379 519911618 /nfs/dbraw/zinc/91/16/18/519911618.db2.gz BYIJGFXNAKUBNN-HNNXBMFYSA-N 2 0 284.444 1.894 10 0 CDAERP CCC[NH2+]CC1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000068890154 519912095 /nfs/dbraw/zinc/91/20/95/519912095.db2.gz WEJAQILDEQLZFF-LLVKDONJSA-N 2 0 268.323 1.621 10 0 CDAERP CC[NH2+]CCC(=O)NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000061298626 519916125 /nfs/dbraw/zinc/91/61/25/519916125.db2.gz WRVKHDLZSKDUOF-ZDUSSCGKSA-N 2 0 255.406 1.223 10 0 CDAERP CCC[NH2+]CCNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000236802810 519916526 /nfs/dbraw/zinc/91/65/26/519916526.db2.gz BUWUIOSACKATPE-STQMWFEESA-N 2 0 255.406 1.400 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000061266105 519933395 /nfs/dbraw/zinc/93/33/95/519933395.db2.gz FLMOXOFGOSLHNU-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@@H](COCC[NH+]2CCCC2)O1 ZINC000052670453 519980171 /nfs/dbraw/zinc/98/01/71/519980171.db2.gz MHXJPBRQMZKYLB-KGLIPLIRSA-N 2 0 256.390 1.256 10 0 CDAERP CC[NH2+]Cc1cc(N2CCC([NH+](C)C)CC2)ccn1 ZINC000051444797 519992499 /nfs/dbraw/zinc/99/24/99/519992499.db2.gz RYOSUSWEBGKUTM-UHFFFAOYSA-N 2 0 262.401 1.722 10 0 CDAERP CCC[NH2+][C@H](C)C1CC[NH+](C[C@@H](O)COC)CC1 ZINC000069053289 520062478 /nfs/dbraw/zinc/06/24/78/520062478.db2.gz LRPRXIITHVQKOL-TZMCWYRMSA-N 2 0 258.406 1.094 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000061273577 520064929 /nfs/dbraw/zinc/06/49/29/520064929.db2.gz VXBHVXRDNAOCJJ-KBPBESRZSA-N 2 0 293.411 1.921 10 0 CDAERP CC[NH2+][C@@H](CN1CC[NH+](C2CCCC2)CC1)C1CC1 ZINC000069074981 520099195 /nfs/dbraw/zinc/09/91/95/520099195.db2.gz OJJMOHUCBXWSHJ-INIZCTEOSA-N 2 0 265.445 1.935 10 0 CDAERP CC[NH2+][C@@H]1CCC[C@@H]1N1CC[NH+](CC(C)C)CC1 ZINC000055079334 520119187 /nfs/dbraw/zinc/11/91/87/520119187.db2.gz SYLUOEIXNRLDGF-CABCVRRESA-N 2 0 253.434 1.791 10 0 CDAERP CCO[C@@H](C[NH3+])CCN1CC[NH+](CC(C)C)CC1 ZINC000062741266 520309656 /nfs/dbraw/zinc/30/96/56/520309656.db2.gz UQUZXJQHMBBCLO-CQSZACIVSA-N 2 0 257.422 1.014 10 0 CDAERP CCO[C@H](C[NH3+])CCN1CCC([NH+]2CCCCC2)CC1 ZINC000062740984 520516485 /nfs/dbraw/zinc/51/64/85/520516485.db2.gz GURDPELNBOYYSO-INIZCTEOSA-N 2 0 283.460 1.691 10 0 CDAERP CC[NH+](CC)CCN(CC(C)C)C(=O)[C@H]([NH3+])CCOC ZINC000052808700 520642620 /nfs/dbraw/zinc/64/26/20/520642620.db2.gz OZLMKUIWWVSASL-CQSZACIVSA-N 2 0 287.448 1.177 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)C1CCC(C[NH3+])CC1 ZINC000055162685 520728404 /nfs/dbraw/zinc/72/84/04/520728404.db2.gz KZAGCMTWTFZOFL-HSBZDZAISA-N 2 0 269.433 1.598 10 0 CDAERP CC[NH+]1CCC(NC(=[NH2+])NC2CCCCC2)CC1 ZINC000052047741 521570660 /nfs/dbraw/zinc/57/06/60/521570660.db2.gz XMOHDCTYBKKHIM-UHFFFAOYSA-N 2 0 252.406 1.917 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@@H]1CCC[C@@H]([NH3+])[C@@H]1C ZINC000055139750 521654265 /nfs/dbraw/zinc/65/42/65/521654265.db2.gz NFVXMHIKIRDDCG-MGPQQGTHSA-N 2 0 269.433 1.550 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@@H]([NH3+])CC[C@@H]1C ZINC000055139766 521655446 /nfs/dbraw/zinc/65/54/46/521655446.db2.gz DYXBWCFINAHVDJ-MELADBBJSA-N 2 0 269.433 1.550 10 0 CDAERP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2conc2C)CC1 ZINC000339236815 521684717 /nfs/dbraw/zinc/68/47/17/521684717.db2.gz INQFNVLJARBCCC-ZDUSSCGKSA-N 2 0 280.416 1.346 10 0 CDAERP CC[NH+]1CCN([C@@H]2C[C@@H](C(C)C)CC[C@@H]2[NH3+])CC1 ZINC000054554511 521693819 /nfs/dbraw/zinc/69/38/19/521693819.db2.gz FFKKGXHJQLAHKU-SOUVJXGZSA-N 2 0 253.434 1.776 10 0 CDAERP C[NH+](C)CCN1CCN(C[C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000061653800 521763984 /nfs/dbraw/zinc/76/39/84/521763984.db2.gz IRXFJZAUGFZOPX-HOTGVXAUSA-N 2 0 282.476 1.073 10 0 CDAERP COCC[C@@H]([NH3+])C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000052792147 521829339 /nfs/dbraw/zinc/82/93/39/521829339.db2.gz UHIGVQGHNCJFCY-CYBMUJFWSA-N 2 0 265.357 1.051 10 0 CDAERP C[NH2+]C(C)(C)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000061318310 521935665 /nfs/dbraw/zinc/93/56/65/521935665.db2.gz QNZKKSCMLVWVHP-LBPRGKRZSA-N 2 0 279.384 1.531 10 0 CDAERP C[NH2+]CC1(C[N@H+](CCOC)[C@H](C)C2CC2)CCOCC1 ZINC000052183383 521969453 /nfs/dbraw/zinc/96/94/53/521969453.db2.gz WAAOAMFDJUKLDD-CQSZACIVSA-N 2 0 284.444 1.750 10 0 CDAERP C[NH2+]C[C@H]1CC[C@H](C[N@H+](C)Cc2ccc(OC)cc2)O1 ZINC000052541672 522096768 /nfs/dbraw/zinc/09/67/68/522096768.db2.gz YGONPDVYSSXXDQ-HZPDHXFCSA-N 2 0 278.396 1.894 10 0 CDAERP C[NH+](C)[C@H]1CCN(CC[NH2+]CC2CCCCC2)C1 ZINC000062974060 522104854 /nfs/dbraw/zinc/10/48/54/522104854.db2.gz UFVMXKZPEIJHTK-HNNXBMFYSA-N 2 0 253.434 1.792 10 0 CDAERP C[NH2+]Cc1ccc(C[N@H+](CCCOC)CCOC)o1 ZINC000052543236 522116227 /nfs/dbraw/zinc/11/62/27/522116227.db2.gz QYVSCIIDWYDYIN-UHFFFAOYSA-N 2 0 270.373 1.484 10 0 CDAERP C[NH2+]Cc1ccc(CN2CC[NH+](CC(C)C)CC2)o1 ZINC000055082751 522116872 /nfs/dbraw/zinc/11/68/72/522116872.db2.gz CKFLYUYJVLZNIS-UHFFFAOYSA-N 2 0 265.401 1.773 10 0 CDAERP C[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H]2CN(C)C)cc1 ZINC000061654569 522117603 /nfs/dbraw/zinc/11/76/03/522117603.db2.gz GZDQAUNBEGTQMF-MRXNPFEDSA-N 2 0 261.413 1.932 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C[C@]2(C[NH2+]C)CCOC2)CC1 ZINC000055071751 522124750 /nfs/dbraw/zinc/12/47/50/522124750.db2.gz PHIPDQUFDLWIBJ-HUUCEWRRSA-N 2 0 269.433 1.029 10 0 CDAERP C[NH2+]Cc1nc(COC2CC[NH+](C)CC2)cs1 ZINC000052596434 522150841 /nfs/dbraw/zinc/15/08/41/522150841.db2.gz YRJDPENXXGMPJZ-UHFFFAOYSA-N 2 0 255.387 1.473 10 0 CDAERP C[NH2+][C@H](C)c1ccccc1N1CCN(CC[NH+](C)C)CC1 ZINC000061644889 522451411 /nfs/dbraw/zinc/45/14/11/522451411.db2.gz WXMFCFCOYBONQS-OAHLLOKOSA-N 2 0 290.455 1.651 10 0 CDAERP CC[C@@H]([NH3+])[C@H](c1ccco1)N1CCN(CC[NH+](C)C)CC1 ZINC000061642384 522653570 /nfs/dbraw/zinc/65/35/70/522653570.db2.gz KFSKVTQKAZFIKN-GDBMZVCRSA-N 2 0 294.443 1.237 10 0 CDAERP C[N@H+](C[C@H]1CCCO1)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052182987 523127145 /nfs/dbraw/zinc/12/71/45/523127145.db2.gz PIMMYCGNBPYZKO-OAHLLOKOSA-N 2 0 282.428 1.646 10 0 CDAERP COCCC[N@H+](CCC[C@H]1CCCC[NH2+]1)CCOC ZINC000050953626 523242343 /nfs/dbraw/zinc/24/23/43/523242343.db2.gz GAPVSRJRWPECMG-OAHLLOKOSA-N 2 0 272.433 1.894 10 0 CDAERP C[N@@H+]1CCCN([C@@H](C[NH3+])c2ccc3ncccc3c2)CC1 ZINC000069502290 523809784 /nfs/dbraw/zinc/80/97/84/523809784.db2.gz YDEAKSQUUFWWID-KRWDZBQOSA-N 2 0 284.407 1.872 10 0 CDAERP CN(C(=O)C[N@H+](CCC[NH3+])C1CCCC1)C1CC1 ZINC000049304135 523814588 /nfs/dbraw/zinc/81/45/88/523814588.db2.gz DRBGDWWNBFQZHQ-UHFFFAOYSA-N 2 0 253.390 1.201 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000055077821 523948966 /nfs/dbraw/zinc/94/89/66/523948966.db2.gz JRHUJKQKMFTUSS-GOEBONIOSA-N 2 0 289.423 1.499 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000055088209 523950193 /nfs/dbraw/zinc/95/01/93/523950193.db2.gz SINYQVIXNCXIDJ-IHRRRGAJSA-N 2 0 267.417 1.447 10 0 CDAERP COc1ccc(C[NH3+])cc1CN1CCC[C@H]1C[NH+](C)C ZINC000061643321 524016461 /nfs/dbraw/zinc/01/64/61/524016461.db2.gz DVIISRJCVWZNQE-HNNXBMFYSA-N 2 0 277.412 1.680 10 0 CDAERP C[NH+](C)C(C)(C)CNC(=O)C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000055141740 524032526 /nfs/dbraw/zinc/03/25/26/524032526.db2.gz GPFJGXKDNAMUMH-NWDGAFQWSA-N 2 0 255.406 1.350 10 0 CDAERP C[NH+](C)C1CCN(C(=O)CC2CCC([NH3+])CC2)CC1 ZINC000055128205 524038582 /nfs/dbraw/zinc/03/85/82/524038582.db2.gz MVWQZYBTORXCMH-UHFFFAOYSA-N 2 0 267.417 1.447 10 0 CDAERP C[NH+](C)C1CCN(C[C@](C)([NH3+])c2ccccc2)CC1 ZINC000052883341 524040253 /nfs/dbraw/zinc/04/02/53/524040253.db2.gz KAVJFYUNILSHGP-INIZCTEOSA-N 2 0 261.413 1.887 10 0 CDAERP C[NH+](C)CCCCNC(=O)[C@H]1CCC[C@@H](C[NH3+])C1 ZINC000055162586 524052317 /nfs/dbraw/zinc/05/23/17/524052317.db2.gz XQNSMGLBIUDZSS-OLZOCXBDSA-N 2 0 255.406 1.210 10 0 CDAERP C[NH+](C)CCCN1CCC[NH2+][C@@H](c2ccccc2)C1 ZINC000062658847 524055879 /nfs/dbraw/zinc/05/58/79/524055879.db2.gz LPZKIXAVDQGWCW-MRXNPFEDSA-N 2 0 261.413 1.975 10 0 CDAERP C[C@H]1CCC[C@H](C(=O)NCC(C)(C)[NH+](C)C)[C@@H]1[NH3+] ZINC000055141712 524176580 /nfs/dbraw/zinc/17/65/80/524176580.db2.gz AFKNGOBWGTXGPR-SDDRHHMPSA-N 2 0 255.406 1.206 10 0 CDAERP C[C@@H]1CCC[C@H]([NH2+]CCN2CC[C@H]([NH+](C)C)C2)C1 ZINC000062974073 524410219 /nfs/dbraw/zinc/41/02/19/524410219.db2.gz MDABADJBMKBHIF-ILXRZTDVSA-N 2 0 253.434 1.791 10 0 CDAERP C[C@@H](CCC[NH3+])[NH+]1CCN(c2nccs2)CC1 ZINC000052417678 524455841 /nfs/dbraw/zinc/45/58/41/524455841.db2.gz TUJCAQHVHASNCS-NSHDSACASA-N 2 0 254.403 1.393 10 0 CDAERP C[C@H](C[NH2+]C1CC1)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515262 524478943 /nfs/dbraw/zinc/47/89/43/524478943.db2.gz CKDDNXPDINZWGS-CYBMUJFWSA-N 3 0 253.434 1.648 10 0 CDAERP C[C@@H]1CC[C@@H]([NH3+])C[C@@H]1C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000055134932 524602510 /nfs/dbraw/zinc/60/25/10/524602510.db2.gz XVNGGMBOEBUHNZ-YUELXQCFSA-N 2 0 281.444 1.550 10 0 CDAERP C[C@H]([NH3+])[C@@H](N1CCC[C@@H]1C[NH+](C)C)C(F)(F)F ZINC000061642255 524836722 /nfs/dbraw/zinc/83/67/22/524836722.db2.gz SLNGSIDXJNGLKS-IVZWLZJFSA-N 2 0 253.312 1.291 10 0 CDAERP C[C@H]1C[C@H](C(=O)N2CCC[C@@H]2C[NH+](C)C)CC[C@@H]1[NH3+] ZINC000061656180 524866693 /nfs/dbraw/zinc/86/66/93/524866693.db2.gz XXTJSKVMWVKCOT-DGAVXFQQSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@@H]([NH3+])[C@H](c1ccncc1)N1CCC[C@@H]1C[NH+](C)C ZINC000061642244 525019291 /nfs/dbraw/zinc/01/92/91/525019291.db2.gz RDUZUUHHOCIBPE-BPLDGKMQSA-N 2 0 262.401 1.496 10 0 CDAERP C[C@@H]1C[C@H](C(=O)NCCCC[NH+](C)C)CC[C@@H]1[NH3+] ZINC000055138931 525360871 /nfs/dbraw/zinc/36/08/71/525360871.db2.gz LMVFEQMHMHURRV-UPJWGTAASA-N 2 0 255.406 1.208 10 0 CDAERP C[C@@H]1[C@@H]([NH3+])CCC[C@@H]1C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC000055141082 525664370 /nfs/dbraw/zinc/66/43/70/525664370.db2.gz ZJYUTUOWHQYEIK-IHRRRGAJSA-N 2 0 281.444 1.693 10 0 CDAERP COc1cccc(N2CC[NH+]([C@@H](C)C[C@H](C)[NH3+])CC2)c1 ZINC000068654191 526155346 /nfs/dbraw/zinc/15/53/46/526155346.db2.gz UYPJDCMLRKJWSQ-KBPBESRZSA-N 2 0 277.412 1.943 10 0 CDAERP c1ccc(N2CC[NH+](CCC[C@H]3CCC[NH2+]3)CC2)nc1 ZINC000052764225 526481744 /nfs/dbraw/zinc/48/17/44/526481744.db2.gz PGLIWRWVIIYJTP-OAHLLOKOSA-N 2 0 274.412 1.736 10 0 CDAERP [NH3+]C1CCC(CCC(=O)N[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000055123574 527139691 /nfs/dbraw/zinc/13/96/91/527139691.db2.gz YENNDWZHNYQUMH-PESDSKBTSA-N 2 0 279.428 1.495 10 0 CDAERP O=C(C[C@H]1CCC[NH2+]C1)NC1CC[NH+](C2CC2)CC1 ZINC000054307357 527167985 /nfs/dbraw/zinc/16/79/85/527167985.db2.gz DDRCMUGEVKMYGB-GFCCVEGCSA-N 2 0 265.401 1.119 10 0 CDAERP [NH3+]Cc1cn(CC[N@@H+]2CCC[C@@H]2C2CCCC2)nn1 ZINC000052517633 527262197 /nfs/dbraw/zinc/26/21/97/527262197.db2.gz LGZXHZDKMXXNIL-CQSZACIVSA-N 2 0 263.389 1.391 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1C(=O)NCC[NH+]1CCCCC1 ZINC000055089896 527344657 /nfs/dbraw/zinc/34/46/57/527344657.db2.gz JNXRZYHVFSFUJM-CHWSQXEVSA-N 2 0 253.390 1.106 10 0 CDAERP OC[C@@H]1CCCC[N@@H+]1CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052183594 527588476 /nfs/dbraw/zinc/58/84/76/527588476.db2.gz BLJUADIASGFRKY-HNNXBMFYSA-N 2 0 282.428 1.382 10 0 CDAERP OC[C@@H]1CCC[N@H+](CC2(C[NH2+]C3CC3)CCOCC2)C1 ZINC000052180494 527588888 /nfs/dbraw/zinc/58/88/88/527588888.db2.gz BGGXIGKLBCIUHL-CQSZACIVSA-N 2 0 282.428 1.240 10 0 CDAERP CC[NH+](CC)CC(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000177043965 528081853 /nfs/dbraw/zinc/08/18/53/528081853.db2.gz VTKDGHBADLEFKR-ZDUSSCGKSA-N 2 0 255.406 1.271 10 0 CDAERP CC1(C)CN(C(=O)[C@@H]([NH3+])c2ccccc2)CC[C@H]1[NH3+] ZINC000261668639 535341961 /nfs/dbraw/zinc/34/19/61/535341961.db2.gz ACCIIMJUPVMLFQ-OLZOCXBDSA-N 2 0 261.369 1.272 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N(C)CC[NH+](C)C)CC1 ZINC000176296206 535352316 /nfs/dbraw/zinc/35/23/16/535352316.db2.gz DOBVDRYXRUJCBS-UHFFFAOYSA-N 2 0 284.448 1.311 10 0 CDAERP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)C1C[NH2+]C1 ZINC000262304507 535578041 /nfs/dbraw/zinc/57/80/41/535578041.db2.gz BZSFBPBOESCCPN-YCPHGPKFSA-N 2 0 295.471 1.859 10 0 CDAERP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H]3CCC=CO3)C2)CC1 ZINC000193887053 535738035 /nfs/dbraw/zinc/73/80/35/535738035.db2.gz BUCQEKUZUYHFQS-CVEARBPZSA-N 2 0 279.428 1.391 10 0 CDAERP CN(C(=O)NC[C@]1(C)CCC[NH2+]C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000418534672 536036453 /nfs/dbraw/zinc/03/64/53/536036453.db2.gz GIWHCPFSEPURQF-GOEBONIOSA-N 2 0 294.443 1.254 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000422838802 536596945 /nfs/dbraw/zinc/59/69/45/536596945.db2.gz YECIUXYDVGANAH-JKSUJKDBSA-N 2 0 291.439 1.856 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)CC1CC(O)C1 ZINC000443851145 538238756 /nfs/dbraw/zinc/23/87/56/538238756.db2.gz HUEMHLWEKXTXNN-UHFFFAOYSA-N 2 0 286.379 1.778 10 0 CDAERP CC(C)(C)C[C@@H]([NH3+])CNc1ccnn1C1C[NH2+]C1 ZINC000725258726 538453020 /nfs/dbraw/zinc/45/30/20/538453020.db2.gz YGMAGHKCKXVULM-SNVBAGLBSA-N 2 0 251.378 1.203 10 0 CDAERP CN(C)CC[NH+]1CCC(C[NH2+]Cc2ccoc2)CC1 ZINC000729682489 574820422 /nfs/dbraw/zinc/82/04/22/574820422.db2.gz WGFUGXCSWCIWOO-UHFFFAOYSA-N 2 0 265.401 1.643 10 0 CDAERP Cc1nn(C)c2sc([C@@H]3CC[C@H](C[NH3+])C[NH2+]3)cc12 ZINC000757206430 574904856 /nfs/dbraw/zinc/90/48/56/574904856.db2.gz ADYXYFWVMUEQGN-KOLCDFICSA-N 2 0 264.398 1.943 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CC3(CC3)C(=O)O2)[C@@H](C)C1 ZINC000763725385 576752175 /nfs/dbraw/zinc/75/21/75/576752175.db2.gz BTBXGROGPBMTIL-IHRRRGAJSA-N 2 0 280.412 1.744 10 0 CDAERP CCOC(=O)[C@@H]1CCC[NH2+][C@@H]1[C@@H]1CC[NH2+][C@H](C)C1 ZINC000757241321 577036950 /nfs/dbraw/zinc/03/69/50/577036950.db2.gz WVUTVHXVBKWGRK-FDYHWXHSSA-N 2 0 254.374 1.306 10 0 CDAERP CCOC(=O)[C@@H]1CCC[NH2+][C@@H]1[C@H]1CC[NH2+][C@H](C)C1 ZINC000757241337 577036979 /nfs/dbraw/zinc/03/69/79/577036979.db2.gz WVUTVHXVBKWGRK-YVECIDJPSA-N 2 0 254.374 1.306 10 0 CDAERP C[NH+](C)CCC(=O)NCCC[N@H+](C)CC1CCC1 ZINC001689834702 1175282979 /nfs/dbraw/zinc/28/29/79/1175282979.db2.gz UKCIMPURWQUYEC-UHFFFAOYSA-N 2 0 255.406 1.176 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001689875958 1175291753 /nfs/dbraw/zinc/29/17/53/1175291753.db2.gz JWAQDQYFBWLCCT-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2ccc(C(N)=O)nc2)C1 ZINC000925543926 617487691 /nfs/dbraw/zinc/48/76/91/617487691.db2.gz WYOIRDYKKSGSKX-VXGBXAGGSA-N 2 0 276.384 1.176 10 0 CDAERP CCC(=O)N1CC[C@@H]([NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000925556836 617508328 /nfs/dbraw/zinc/50/83/28/617508328.db2.gz ABFNQKOHCBFAOV-UXOAXIEHSA-N 2 0 279.428 1.364 10 0 CDAERP CC[C@](C)(O)C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925608557 617553231 /nfs/dbraw/zinc/55/32/31/617553231.db2.gz FCXMAYUVVVGVHK-KKUMJFAQSA-N 2 0 254.418 1.905 10 0 CDAERP CC1(CC[NH2+][C@H]2CC[NH2+]C23CCCC3)OCCO1 ZINC000925640420 617584685 /nfs/dbraw/zinc/58/46/85/617584685.db2.gz SFIOHMBVQZIOHA-LBPRGKRZSA-N 2 0 254.374 1.404 10 0 CDAERP C[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1nccn1C ZINC000925846239 617880884 /nfs/dbraw/zinc/88/08/84/617880884.db2.gz TWNHEXMRXRBTNZ-AWEZNQCLSA-N 2 0 279.432 1.146 10 0 CDAERP C(N[C@@H]1CC[NH2+]C12CCC2)[C@H]1CCCC[N@@H+]1C1CC1 ZINC000925651365 617595380 /nfs/dbraw/zinc/59/53/80/617595380.db2.gz BFSBBGMYZYATIQ-HUUCEWRRSA-N 2 0 263.429 1.878 10 0 CDAERP CC1(C)C[C@@H]([NH2+][C@H]2COc3ccccc3[C@@H]2O)C[C@@H]([NH3+])C1 ZINC000925669018 617625422 /nfs/dbraw/zinc/62/54/22/617625422.db2.gz NQCXEYZJAQJEEI-DSPQJCBJSA-N 2 0 290.407 1.977 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)N[C@H]1CC[NH2+]C12CCC2 ZINC000925676631 617641761 /nfs/dbraw/zinc/64/17/61/617641761.db2.gz OEMLQGYFGQVJJA-KGLIPLIRSA-N 2 0 253.434 1.981 10 0 CDAERP CCC1(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)COC1 ZINC000925687907 617681243 /nfs/dbraw/zinc/68/12/43/617681243.db2.gz NDIIVJQKJUMEDI-AGIUHOORSA-N 2 0 252.402 1.779 10 0 CDAERP CC(C)[NH2+]CCCN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925689525 617686445 /nfs/dbraw/zinc/68/64/45/617686445.db2.gz BCUWTRCEWRTDJV-RDBSUJKOSA-N 2 0 253.434 1.741 10 0 CDAERP FC1(F)CC[NH2+]C[C@@H]1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000925784307 617704889 /nfs/dbraw/zinc/70/48/89/617704889.db2.gz QOTYOXPWLSZELC-JHJVBQTASA-N 2 0 273.371 1.448 10 0 CDAERP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc2c(c1)OCO2 ZINC000925790032 617716245 /nfs/dbraw/zinc/71/62/45/617716245.db2.gz FFJLKIIJHMUXQS-WZRBSPASSA-N 2 0 262.353 1.921 10 0 CDAERP CCOC(=O)C1CCC([NH2+]CCN2CCC([NH3+])CC2)CC1 ZINC000925810279 617752054 /nfs/dbraw/zinc/75/20/54/617752054.db2.gz DIICBOVIKDLKLL-UHFFFAOYSA-N 2 0 297.443 1.121 10 0 CDAERP CC1(C)[C@@H]([NH2+]CCC[C@H]2CCC[NH2+]2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925704284 617774158 /nfs/dbraw/zinc/77/41/58/617774158.db2.gz FPZBPQPZTGXDIE-QPSCCSFWSA-N 3 0 265.445 1.885 10 0 CDAERP CC1(C)C[C@@H](N[C@@H](C[NH3+])C2CCCC2)C[C@@H]([NH3+])C1 ZINC000925705132 617785986 /nfs/dbraw/zinc/78/59/86/617785986.db2.gz HUJUPEFQNGASPM-RDBSUJKOSA-N 2 0 253.434 2.000 10 0 CDAERP COC(=O)N(C)CC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925718706 617841827 /nfs/dbraw/zinc/84/18/27/617841827.db2.gz ZSPBHBQBSQXBCH-KBPBESRZSA-N 2 0 283.416 1.443 10 0 CDAERP C[C@H]([NH2+]CC[C@H]1CC[C@@H](C(F)(F)F)O1)C1C[NH2+]C1 ZINC000925828130 617842322 /nfs/dbraw/zinc/84/23/22/617842322.db2.gz DQKYCEHNPLVCHA-GDPRMGEGSA-N 2 0 266.307 1.684 10 0 CDAERP C[C@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000925833366 617858570 /nfs/dbraw/zinc/85/85/70/617858570.db2.gz HIEXRLSWPBQICP-GARJFASQSA-N 2 0 267.339 1.599 10 0 CDAERP FC(F)(F)[C@@H]1C[C@H]1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000925834620 617862824 /nfs/dbraw/zinc/86/28/24/617862824.db2.gz ZWNXAVLKCXVCNY-ZOLYEBIHSA-N 2 0 292.345 1.932 10 0 CDAERP CC[C@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000925836400 617866432 /nfs/dbraw/zinc/86/64/32/617866432.db2.gz KBISNTXPVQFVOE-SRVKXCTJSA-N 2 0 281.366 1.989 10 0 CDAERP C[C@@H](NC[C@]12CCC[C@H]1[NH2+]CC2)[C@@H]1CCCC[NH2+]1 ZINC000925838790 617869290 /nfs/dbraw/zinc/86/92/90/617869290.db2.gz OCDHYTPUCRZBAS-LXTVHRRPSA-N 2 0 251.418 1.639 10 0 CDAERP COC[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)C1CCCC1 ZINC000925846785 617881411 /nfs/dbraw/zinc/88/14/11/617881411.db2.gz PDOOTORUZWULOF-QGZVFWFLSA-N 2 0 297.487 1.857 10 0 CDAERP C[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)C1CCOCC1 ZINC000925849419 617886412 /nfs/dbraw/zinc/88/64/12/617886412.db2.gz CQODBMQJOCVZGT-OCCSQVGLSA-N 2 0 296.411 1.076 10 0 CDAERP O=C1O[C@@H](C[NH2+]C(C2CC2)C2CC2)CC12CC[NH2+]CC2 ZINC000925854866 617892538 /nfs/dbraw/zinc/89/25/38/617892538.db2.gz SOIGBGUOUFKQQJ-CYBMUJFWSA-N 2 0 278.396 1.450 10 0 CDAERP CCC[C@H](O)CC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925855036 617893525 /nfs/dbraw/zinc/89/35/25/617893525.db2.gz FZUYJQXLQMZKSS-CRWXNKLISA-N 2 0 254.418 1.904 10 0 CDAERP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cccc(S(N)(=O)=O)c1 ZINC000925882646 617967661 /nfs/dbraw/zinc/96/76/61/617967661.db2.gz OPCREYSUEPVVOI-WZRBSPASSA-N 2 0 297.424 1.112 10 0 CDAERP Cn1nccc1[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000925889524 617980915 /nfs/dbraw/zinc/98/09/15/617980915.db2.gz KIRCEFIYSZJQJS-IXYNUQLISA-N 2 0 292.427 1.354 10 0 CDAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CO[C@@H](C)[C@H]2C)CC1 ZINC000924950251 618373511 /nfs/dbraw/zinc/37/35/11/618373511.db2.gz IOYBXUBPOPWBSK-LVQVYYBASA-N 2 0 283.460 1.273 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H](O)c1cccc(C)c1 ZINC000817909974 618487145 /nfs/dbraw/zinc/48/71/45/618487145.db2.gz FUMXTDRIRBWWMJ-GJZGRUSLSA-N 2 0 266.385 1.372 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CC[C@](C)(O)c1ccccc1 ZINC000817924462 618489495 /nfs/dbraw/zinc/48/94/95/618489495.db2.gz RSUFHRJOUDOSDF-HOTGVXAUSA-N 2 0 280.412 1.628 10 0 CDAERP C[C@@H]1[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC[N@@H+]1C ZINC000928443875 619090935 /nfs/dbraw/zinc/09/09/35/619090935.db2.gz VSCHDJKAZNKWRL-IJEWVQPXSA-N 2 0 293.455 1.850 10 0 CDAERP C[C@H]1C[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000896624664 620164856 /nfs/dbraw/zinc/16/48/56/620164856.db2.gz WQFMDBBRCPXHRH-AVGNSLFASA-N 2 0 253.390 1.022 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CN(C(=O)OC(C)(C)C)C1 ZINC000925238904 620607752 /nfs/dbraw/zinc/60/77/52/620607752.db2.gz SOGHVDNQHAUQDT-ONXXMXGDSA-N 2 0 295.427 1.536 10 0 CDAERP CCN1CC[NH+](CCCC[NH2+][C@@H]2CO[C@@H](C)[C@H]2C)CC1 ZINC000924663928 621642266 /nfs/dbraw/zinc/64/22/66/621642266.db2.gz YOUUKLJAAIGQLZ-OWCLPIDISA-N 2 0 283.460 1.417 10 0 CDAERP C[NH+](C)Cc1ccc(C(=O)N2CC([NH+]3CCCC3)C2)cc1 ZINC000898612583 621819593 /nfs/dbraw/zinc/81/95/93/621819593.db2.gz JXMSGYVILFNSGF-UHFFFAOYSA-N 2 0 287.407 1.668 10 0 CDAERP C[C@@H](NC(=[NH2+])NCCC[N@@H+]1CCCO[C@H](C)C1)C1CC1 ZINC000899271716 622136172 /nfs/dbraw/zinc/13/61/72/622136172.db2.gz LJSUQWKGVBLHHM-CHWSQXEVSA-N 2 0 282.432 1.400 10 0 CDAERP C[C@H](NC(=[NH2+])NCC1(C)CC[NH+](C)CC1)C1CC1 ZINC000899269462 622146047 /nfs/dbraw/zinc/14/60/47/622146047.db2.gz ALDBKPJRCONQFA-NSHDSACASA-N 2 0 252.406 1.631 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC000900884555 623606137 /nfs/dbraw/zinc/60/61/37/623606137.db2.gz BYKWPNFDMSONQI-OAGGEKHMSA-N 2 0 293.455 1.946 10 0 CDAERP C[C@]1([C@H]2CCC[N@H+](CC3CC[NH2+]CC3)C2)COC(=O)N1 ZINC000903414509 625986136 /nfs/dbraw/zinc/98/61/36/625986136.db2.gz CWZKJUPWSVIIQZ-DZGCQCFKSA-N 2 0 281.400 1.197 10 0 CDAERP C[N@@H+]1CC[C@@H](NC[C@H]2CCC[NH2+]2)[C@@H]1c1ccccc1 ZINC000903458966 625994464 /nfs/dbraw/zinc/99/44/64/625994464.db2.gz OLMKFBXTLALZTD-OAGGEKHMSA-N 2 0 259.397 1.773 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN(CCC[NH3+])Cc1ccccc1 ZINC000903450616 626000591 /nfs/dbraw/zinc/00/05/91/626000591.db2.gz XYICLGHOAMGWGK-ZBFHGGJFSA-N 3 0 261.413 1.693 10 0 CDAERP Cc1cc(C)nc(N2CC[NH+](C[C@@H]3CC[C@H]([NH3+])C3)CC2)n1 ZINC000903454776 626002086 /nfs/dbraw/zinc/00/20/86/626002086.db2.gz JMZKYHHUUXLPHO-CABCVRRESA-N 2 0 289.427 1.343 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)NCC2CCCCC2)C[C@H]1CC[NH3+] ZINC000903494370 626011436 /nfs/dbraw/zinc/01/14/36/626011436.db2.gz FKPVQYPTBQRNKO-UKRRQHHQSA-N 2 0 281.444 1.600 10 0 CDAERP CCc1noc([C@@H](C)[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)n1 ZINC000903495919 626011569 /nfs/dbraw/zinc/01/15/69/626011569.db2.gz BXZALAMHRZAIFP-GMTAPVOTSA-N 2 0 252.362 1.610 10 0 CDAERP C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903494959 626011849 /nfs/dbraw/zinc/01/18/49/626011849.db2.gz SKLUEYAPVGVFJI-DGXTUMSLSA-N 2 0 295.471 1.796 10 0 CDAERP [NH3+][C@@H]1CN(CC[C@H]2CCC[NH2+]C2)CC[C@H]1C(F)(F)F ZINC000903540381 626016064 /nfs/dbraw/zinc/01/60/64/626016064.db2.gz NNVGXDXVDRGEDA-IJLUTSLNSA-N 2 0 279.350 1.588 10 0 CDAERP C[C@]1([C@H]2CCC[N@H+](CCCCCC[NH3+])C2)COC(=O)N1 ZINC000903561752 626019860 /nfs/dbraw/zinc/01/98/60/626019860.db2.gz MFWUXDJPLGDVHX-DZGCQCFKSA-N 2 0 283.416 1.716 10 0 CDAERP C[C@]1([C@H]2CCC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)COC(=O)N1 ZINC000903562134 626019927 /nfs/dbraw/zinc/01/99/27/626019927.db2.gz ZELHGABZWAYDKA-IJEWVQPXSA-N 2 0 295.427 1.587 10 0 CDAERP CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](C[C@@H]3CC[C@H]([NH3+])C3)C[C@@H]21 ZINC000903563509 626020439 /nfs/dbraw/zinc/02/04/39/626020439.db2.gz GCUZAMNOEUZIIQ-XHJNMGKDSA-N 2 0 266.385 1.245 10 0 CDAERP C(C[NH+]1CCC2(CC[NH2+]C2)CC1)OC1CCSCC1 ZINC000903748883 626071994 /nfs/dbraw/zinc/07/19/94/626071994.db2.gz CHSNNRDKDHEIJV-UHFFFAOYSA-N 2 0 284.469 1.974 10 0 CDAERP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000903778369 626091021 /nfs/dbraw/zinc/09/10/21/626091021.db2.gz LYTZLBLTTFWABU-KBXIAJHMSA-N 2 0 282.453 1.440 10 0 CDAERP C[N@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)C(C1CC1)C1CC1 ZINC000903890176 626124518 /nfs/dbraw/zinc/12/45/18/626124518.db2.gz YUQDHCLJHAAPIZ-CQSZACIVSA-N 2 0 289.427 1.823 10 0 CDAERP C[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCN(C2CC2)C1 ZINC000903892936 626134802 /nfs/dbraw/zinc/13/48/02/626134802.db2.gz YQSMAJGJBWRCHL-HUORLRHWSA-N 2 0 263.429 1.686 10 0 CDAERP Cc1ccccc1C[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903920412 626146521 /nfs/dbraw/zinc/14/65/21/626146521.db2.gz IXXAGGSSDQPGMW-OAHLLOKOSA-N 2 0 285.395 1.801 10 0 CDAERP O=C1[C@@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]2CCCCN12 ZINC000903930061 626150700 /nfs/dbraw/zinc/15/07/00/626150700.db2.gz RCFMVEHUHIJVPM-CHZLEKFTSA-N 2 0 277.412 1.260 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CCN(C[C@@H]([NH3+])CC(F)F)C1 ZINC000903938058 626155654 /nfs/dbraw/zinc/15/56/54/626155654.db2.gz YSOAGNCWTXAVMV-GWCFXTLKSA-N 2 0 263.376 1.666 10 0 CDAERP FC1(F)CC[NH2+]C[C@H]1C[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903957314 626158094 /nfs/dbraw/zinc/15/80/94/626158094.db2.gz PSNUQTNJRBAHFU-FOIKRFTLSA-N 3 0 273.371 1.351 10 0 CDAERP COc1ccc(CNC[C@@H]2C[NH2+]CCC2(F)F)cc1O ZINC000903955187 626166534 /nfs/dbraw/zinc/16/65/34/626166534.db2.gz MFMJHXLSJCWQAF-NSHDSACASA-N 2 0 286.322 1.735 10 0 CDAERP COC(=O)C(C)(C)CC[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903956159 626167074 /nfs/dbraw/zinc/16/70/74/626167074.db2.gz IFCHNVHUVAFLDN-SNVBAGLBSA-N 2 0 278.343 1.410 10 0 CDAERP CCn1nc(C)c(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c1C ZINC000903973886 626168450 /nfs/dbraw/zinc/16/84/50/626168450.db2.gz HWGQAUVERLQYLJ-BXUZGUMPSA-N 2 0 264.417 1.855 10 0 CDAERP CCOC(=O)C1CCC([NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903973429 626168849 /nfs/dbraw/zinc/16/88/49/626168849.db2.gz CWQDQPBHBKCXQH-FEWQNLEASA-N 2 0 282.428 1.944 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1CCN(c2nccs2)CC1 ZINC000903968058 626172392 /nfs/dbraw/zinc/17/23/92/626172392.db2.gz QRDDZDHNMZWGCC-NEPJUHHUSA-N 2 0 280.441 1.557 10 0 CDAERP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)CC2 ZINC000903968323 626172852 /nfs/dbraw/zinc/17/28/52/626172852.db2.gz SRVZQCJEJSGCGU-KCXAZCMYSA-N 2 0 274.408 1.998 10 0 CDAERP C(c1noc([C@@H]2C[C@]23CC[NH2+]C3)n1)C1CC[NH2+]CC1 ZINC000905314333 626744035 /nfs/dbraw/zinc/74/40/35/626744035.db2.gz NXWCJWPCOWCAFI-FZMZJTMJSA-N 2 0 262.357 1.079 10 0 CDAERP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)CCC3(O)CCC3)CC[C@@H]21 ZINC000905940155 627053250 /nfs/dbraw/zinc/05/32/50/627053250.db2.gz LYTUCZLLSMTXFV-PMPSAXMXSA-N 2 0 296.455 1.459 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC000908256103 628081715 /nfs/dbraw/zinc/08/17/15/628081715.db2.gz DROCXCYNBRNWFA-KKUMJFAQSA-N 2 0 281.444 1.848 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)C[NH+](C)C ZINC000908349086 628149290 /nfs/dbraw/zinc/14/92/90/628149290.db2.gz WCVRPMYNPRJVKI-RDBSUJKOSA-N 2 0 267.417 1.317 10 0 CDAERP C[N@H+](CC(=O)N[C@@]1(C)C[NH+]2CCC1CC2)CC(C)(C)C ZINC000912374110 629970846 /nfs/dbraw/zinc/97/08/46/629970846.db2.gz KLFATLDUEKUYII-INIZCTEOSA-N 2 0 281.444 1.565 10 0 CDAERP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@]1(C)C[NH+]2CCC1CC2 ZINC000912375643 629974123 /nfs/dbraw/zinc/97/41/23/629974123.db2.gz IVIVLUAGYNECNT-MLGOLLRUSA-N 2 0 281.444 1.754 10 0 CDAERP C[N@H+](CCC(=O)NC12CC[NH+](CC1)C2)C1CCCCC1 ZINC000913633349 630725522 /nfs/dbraw/zinc/72/55/22/630725522.db2.gz RRGCOODMEQLPRX-UHFFFAOYSA-N 2 0 279.428 1.605 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)NCC2([NH+](C)C)CCCC2)CC[N@@H+]1C ZINC000913875657 630859077 /nfs/dbraw/zinc/85/90/77/630859077.db2.gz XKRSEBQORXCHNQ-OLZOCXBDSA-N 2 0 282.432 1.253 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000915679091 631791651 /nfs/dbraw/zinc/79/16/51/631791651.db2.gz VNISQKNYGPMGSS-UKRRQHHQSA-N 2 0 296.459 1.500 10 0 CDAERP CC1(C)[C@H]([NH2+]C[C@@H]2CCCCO2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925480898 632805703 /nfs/dbraw/zinc/80/57/03/632805703.db2.gz LQARMKOWSACBCL-RFQIPJPRSA-N 2 0 252.402 1.922 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCCF ZINC001266994416 1159072480 /nfs/dbraw/zinc/07/24/80/1159072480.db2.gz NDBSFHFCEGDFCN-OLZOCXBDSA-N 2 0 273.396 1.315 10 0 CDAERP C[NH+](C)CCCC(=O)N1CCC[C@H]1C[NH2+]CCCF ZINC001699757013 1158539652 /nfs/dbraw/zinc/53/96/52/1158539652.db2.gz LZWLKBOLEVJCAM-ZDUSSCGKSA-N 2 0 273.396 1.268 10 0 CDAERP Cc1ncoc1C[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001691365260 1159040617 /nfs/dbraw/zinc/04/06/17/1159040617.db2.gz USDQJTBJADNRAW-CYBMUJFWSA-N 2 0 294.399 1.015 10 0 CDAERP C[NH+](C)C1(C(=O)N2CC[C@@H](C[NH2+]C/C=C\Cl)C2)CCC1 ZINC001267045818 1159096785 /nfs/dbraw/zinc/09/67/85/1159096785.db2.gz UIYZZQFRDNQVKG-UKOWJOKBSA-N 2 0 299.846 1.661 10 0 CDAERP CCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001271206888 1160312563 /nfs/dbraw/zinc/31/25/63/1160312563.db2.gz KESKHONGCHVAGD-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP [NH2+]=C(NCCC1CC1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000864465233 1164549355 /nfs/dbraw/zinc/54/93/55/1164549355.db2.gz RORMHDMZWUXVAC-CQSZACIVSA-N 2 0 264.417 1.917 10 0 CDAERP CC(=O)NCC1CCC([NH2+]C[C@@H](C)C[NH+](C)C)CC1 ZINC000865577237 1164666139 /nfs/dbraw/zinc/66/61/39/1164666139.db2.gz GCSJKWIJTKZYRP-LRVUVFPRSA-N 2 0 269.433 1.469 10 0 CDAERP C[NH+]1CCN(CCC[NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)CC1 ZINC000866219558 1164753439 /nfs/dbraw/zinc/75/34/39/1164753439.db2.gz RYZNPLFGXFTXKZ-IRXDYDNUSA-N 2 0 295.471 1.561 10 0 CDAERP C[C@H](C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C(C)(C)C ZINC000866711143 1164813792 /nfs/dbraw/zinc/81/37/92/1164813792.db2.gz CTUGQCQXHRFCIV-RQJABVFESA-N 2 0 295.427 1.536 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000868364724 1164937720 /nfs/dbraw/zinc/93/77/20/1164937720.db2.gz AYVQNNZXELDZOG-HZSPNIEDSA-N 2 0 282.432 1.062 10 0 CDAERP [NH3+]CCN(CCc1ccccc1)C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870943888 1165237720 /nfs/dbraw/zinc/23/77/20/1165237720.db2.gz XWXVRIMUAUEXOX-VYDXJSESSA-N 2 0 287.407 1.144 10 0 CDAERP C[NH+](C)C1(C)CCC([NH2+]C[C@@H](O)C[C@@](C)(O)C2CC2)CC1 ZINC000872228337 1165399267 /nfs/dbraw/zinc/39/92/67/1165399267.db2.gz HAJZTSPLCQDPDP-ODZFXCKXSA-N 2 0 298.471 1.751 10 0 CDAERP C[NH2+]Cc1ccc(NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)cc1 ZINC000872292988 1165411808 /nfs/dbraw/zinc/41/18/08/1165411808.db2.gz AIDIVTXCFARQCX-XUJVJEKNSA-N 2 0 259.353 1.472 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)CC[NH+]1CC[C@@H](F)C1 ZINC001628442939 1166073030 /nfs/dbraw/zinc/07/30/30/1166073030.db2.gz ZOZQUWDZIYUNRI-CQSZACIVSA-N 2 0 287.423 1.514 10 0 CDAERP COCCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1C ZINC001275592272 1166690197 /nfs/dbraw/zinc/69/01/97/1166690197.db2.gz IGRKNLLXSNUHGQ-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1ccc(=O)[nH]n1 ZINC000925882319 1166749054 /nfs/dbraw/zinc/74/90/54/1166749054.db2.gz OBADOMLIBCZBOD-RVSPLBMKSA-N 2 0 298.390 1.892 10 0 CDAERP CCN1C[C@H](C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)OC1=O ZINC001645914668 1167564610 /nfs/dbraw/zinc/56/46/10/1167564610.db2.gz SYADARPBYMKDJZ-AWEZNQCLSA-N 2 0 295.427 1.635 10 0 CDAERP C[N@H+](CCCF)CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001566453894 1167961030 /nfs/dbraw/zinc/96/10/30/1167961030.db2.gz JIIULFOPVGKWJC-CQSZACIVSA-N 2 0 285.407 1.126 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H](C)CC[NH+](C)C ZINC001565563267 1168154585 /nfs/dbraw/zinc/15/45/85/1168154585.db2.gz ZFKDGBLVSNCKGR-STQMWFEESA-N 2 0 257.422 1.421 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CC[C@@H]2C[C@H](C)C[N@@H+]2C1 ZINC001646941284 1168274695 /nfs/dbraw/zinc/27/46/95/1168274695.db2.gz AIEVUCLZCNATND-CAOSSQGBSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@H](Cn1cccn1)[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC001647441121 1168693750 /nfs/dbraw/zinc/69/37/50/1168693750.db2.gz WDAPXYANYGUEQF-OIISXLGYSA-N 2 0 284.407 1.920 10 0 CDAERP CN(CC[NH2+]CC1CCC1)C(=O)CCC[NH+](C)C ZINC001567551935 1168849262 /nfs/dbraw/zinc/84/92/62/1168849262.db2.gz QKNYMCXZCUOJQF-UHFFFAOYSA-N 2 0 255.406 1.176 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(CC)CC[NH2+]CCF)C1 ZINC001568768793 1169468502 /nfs/dbraw/zinc/46/85/02/1169468502.db2.gz GITZPVRQEXNKCR-CQSZACIVSA-N 2 0 287.423 1.516 10 0 CDAERP CC[C@@H]1C[N@H+](CC)CCN1C(=O)[C@H](C)CC[NH+](C)C ZINC001569014953 1169595889 /nfs/dbraw/zinc/59/58/89/1169595889.db2.gz SXSVDDPJOHEROE-ZIAGYGMSSA-N 2 0 269.433 1.517 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]CCCF)C1 ZINC001569824437 1170007177 /nfs/dbraw/zinc/00/71/77/1170007177.db2.gz QZUKZTHFOWFEHF-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)C[NH+]1CC([C@H](C)NC(=O)C[N@H+](C)C(C)C)C1 ZINC001570863257 1170305560 /nfs/dbraw/zinc/30/55/60/1170305560.db2.gz BHWBMLBZQKAARX-ZDUSSCGKSA-N 2 0 269.433 1.419 10 0 CDAERP CCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001571486050 1170450691 /nfs/dbraw/zinc/45/06/91/1170450691.db2.gz ZEEHKFOENFXLQH-CHWSQXEVSA-N 2 0 255.406 1.317 10 0 CDAERP C[C@H]1C[C@H](C[N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)CCO1 ZINC001656310895 1171807858 /nfs/dbraw/zinc/80/78/58/1171807858.db2.gz CACPCLOBBHODLW-YJNKXOJESA-N 2 0 252.402 1.685 10 0 CDAERP CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[NH+]1CCCC1 ZINC001656594303 1171849827 /nfs/dbraw/zinc/84/98/27/1171849827.db2.gz PHZOHGLBNYPPJZ-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001661690475 1172427150 /nfs/dbraw/zinc/42/71/50/1172427150.db2.gz PIKVDRVAHGGPCE-OKILXGFUSA-N 2 0 267.417 1.508 10 0 CDAERP C[NH+](C)CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](C/C=C/Cl)C[C@H]21 ZINC001662078132 1172481863 /nfs/dbraw/zinc/48/18/63/1172481863.db2.gz ATLNVCYYBUWYOL-HOUHDCNSSA-N 2 0 299.846 1.517 10 0 CDAERP CCCC[NH2+][C@@H](C)CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001662255205 1172517975 /nfs/dbraw/zinc/51/79/75/1172517975.db2.gz GEJYNCLJTZVBHC-AWEZNQCLSA-N 2 0 299.459 1.239 10 0 CDAERP CCC[NH2+][C@H](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001663000360 1172626737 /nfs/dbraw/zinc/62/67/37/1172626737.db2.gz FQIVXKUPIHSKMY-CHWSQXEVSA-N 2 0 255.406 1.223 10 0 CDAERP CC/C=C\CC[N@H+](CC)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001663442760 1172696934 /nfs/dbraw/zinc/69/69/34/1172696934.db2.gz FFQJNTLHFBUOHT-WAYWQWQTSA-N 2 0 293.455 1.877 10 0 CDAERP CC(C)C[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001664395424 1172849450 /nfs/dbraw/zinc/84/94/50/1172849450.db2.gz QNHOMKPAILLURQ-HNNXBMFYSA-N 2 0 283.460 1.811 10 0 CDAERP CC/C=C\CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C ZINC001665378682 1172988489 /nfs/dbraw/zinc/98/84/89/1172988489.db2.gz DVJDYRYJQFKVMQ-PVPAMPSESA-N 2 0 291.439 1.722 10 0 CDAERP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC(C)C ZINC001665888259 1173080413 /nfs/dbraw/zinc/08/04/13/1173080413.db2.gz QIIFDWNAYMWMIC-CYBMUJFWSA-N 2 0 255.406 1.223 10 0 CDAERP CC/C=C\CC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001668833371 1173471067 /nfs/dbraw/zinc/47/10/67/1173471067.db2.gz GZVPZFPHFDSGNK-BRFSPEMPSA-N 2 0 293.455 1.945 10 0 CDAERP CC[C@@H](C(=O)NC/C=C/C[NH2+]CC1CCCC1)[NH+](C)C ZINC001669047584 1173497386 /nfs/dbraw/zinc/49/73/86/1173497386.db2.gz ZLICANFSTSKTKH-KIUWMYQTSA-N 2 0 281.444 1.779 10 0 CDAERP C[C@H](C[NH2+]CCCF)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001669320461 1173536878 /nfs/dbraw/zinc/53/68/78/1173536878.db2.gz KKQCROBLGRXYPU-CHWSQXEVSA-N 2 0 273.396 1.315 10 0 CDAERP CC/C=C\CC[N@H+](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001669909495 1173629604 /nfs/dbraw/zinc/62/96/04/1173629604.db2.gz GEDCDNKEOXKFKX-YVACAVLKSA-N 2 0 293.455 1.875 10 0 CDAERP CCC1([NH2+]CCCF)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001673624505 1173873418 /nfs/dbraw/zinc/87/34/18/1173873418.db2.gz BCPGOHRMBXZADR-CQSZACIVSA-N 2 0 299.434 1.659 10 0 CDAERP CCCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001676668381 1174252779 /nfs/dbraw/zinc/25/27/79/1174252779.db2.gz MJXSIUFIKFEQLO-QWHCGFSZSA-N 2 0 255.406 1.317 10 0 CDAERP C[N@@H+](C/C=C/Cl)CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001689876354 1174679126 /nfs/dbraw/zinc/67/91/26/1174679126.db2.gz WTDGEUMVZNYCBC-YIALFULDSA-N 2 0 287.835 1.519 10 0 CDAERP CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001691854541 1175637452 /nfs/dbraw/zinc/63/74/52/1175637452.db2.gz JTXQHFTURPGHDF-CABCVRRESA-N 2 0 293.455 1.709 10 0 CDAERP CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001698939395 1175989139 /nfs/dbraw/zinc/98/91/39/1175989139.db2.gz PWXBEINRDGXKEJ-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CC[NH2+]CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001699140584 1176110548 /nfs/dbraw/zinc/11/05/48/1176110548.db2.gz LUCGZPHBSPVVDM-ZIAGYGMSSA-N 2 0 269.433 1.755 10 0 CDAERP CCC[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001699184184 1176130938 /nfs/dbraw/zinc/13/09/38/1176130938.db2.gz JOIFPAUUKVABDO-CHWSQXEVSA-N 2 0 255.406 1.175 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC1CC1 ZINC001699261477 1176185554 /nfs/dbraw/zinc/18/55/54/1176185554.db2.gz FGKANHKLOAHXHA-JZIMQPMSSA-N 2 0 279.428 1.533 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001699385687 1176345081 /nfs/dbraw/zinc/34/50/81/1176345081.db2.gz WCCPCFSYLZNWSE-QWHCGFSZSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001699416104 1176379051 /nfs/dbraw/zinc/37/90/51/1176379051.db2.gz IYZCQXBAEPQQTE-OLZOCXBDSA-N 2 0 287.423 1.703 10 0 CDAERP C[N@H+](CC(=O)N[C@H](C[NH2+]C/C=C\Cl)C1CC1)C1CCC1 ZINC001699580239 1176482889 /nfs/dbraw/zinc/48/28/89/1176482889.db2.gz VINIPGTZNAYTQH-LEPFTWFBSA-N 2 0 299.846 1.708 10 0 CDAERP CC[C@H](C(=O)NC[C@H]1CC[N@@H+]1CCC(C)C)[NH+](C)C ZINC001699637143 1176533721 /nfs/dbraw/zinc/53/37/21/1176533721.db2.gz BWSUMLBCBYXQDN-ZIAGYGMSSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001699951194 1176693907 /nfs/dbraw/zinc/69/39/07/1176693907.db2.gz GGSXKGXMKPZSMI-JKSUJKDBSA-N 2 0 293.455 1.875 10 0 CDAERP CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001700661949 1177063466 /nfs/dbraw/zinc/06/34/66/1177063466.db2.gz KOOIQPIFWIXNHV-GXTWGEPZSA-N 2 0 267.417 1.223 10 0 CDAERP CC/C=C\CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001700761311 1177118629 /nfs/dbraw/zinc/11/86/29/1177118629.db2.gz VPYYDQZDYDYJMM-NHQLZKDQSA-N 2 0 281.444 1.873 10 0 CDAERP O=C(NC[C@H]1C[C@H]([NH2+]CCCF)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001707083202 1177943831 /nfs/dbraw/zinc/94/38/31/1177943831.db2.gz PUNYLAZYYPFHDM-BPLDGKMQSA-N 2 0 297.418 1.172 10 0 CDAERP CC(C)CCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001713302260 1178481022 /nfs/dbraw/zinc/48/10/22/1178481022.db2.gz VAXPZMRGTKWTBI-KBPBESRZSA-N 2 0 269.433 1.611 10 0 CDAERP CC[NH2+]CC1CCN(C(=O)[C@H]([NH3+])[C@@H](C)CC)CC1 ZINC000236994250 1178506911 /nfs/dbraw/zinc/50/69/11/1178506911.db2.gz WQWYMNMREDCRLB-WCQYABFASA-N 2 0 255.406 1.208 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001713466517 1178584151 /nfs/dbraw/zinc/58/41/51/1178584151.db2.gz FZBXRWAQTHWRHI-KBPBESRZSA-N 2 0 269.433 1.422 10 0 CDAERP CN(CC[NH2+]CC1=CCCCC1)C(=O)CC[NH+](C)C ZINC001713630078 1178688752 /nfs/dbraw/zinc/68/87/52/1178688752.db2.gz BQQMBMLUIDFEQI-UHFFFAOYSA-N 2 0 267.417 1.487 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]CCC(C)(C)C)C1 ZINC001713634144 1178690062 /nfs/dbraw/zinc/69/00/62/1178690062.db2.gz JGFIFDYZVVRQOX-AWEZNQCLSA-N 2 0 283.460 1.812 10 0 CDAERP CCC[NH2+]CCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001713649470 1178695763 /nfs/dbraw/zinc/69/57/63/1178695763.db2.gz CZAZPBKSCNWOQB-UHFFFAOYSA-N 2 0 269.433 1.565 10 0 CDAERP CC/C=C\CC[NH2+]CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001713655304 1178698127 /nfs/dbraw/zinc/69/81/27/1178698127.db2.gz YRQYKXLWCGHMMB-PLNGDYQASA-N 2 0 279.428 1.487 10 0 CDAERP CC/C=C\CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001713777007 1178748551 /nfs/dbraw/zinc/74/85/51/1178748551.db2.gz JDUQUKLZNVJNEZ-UDLYIEAKSA-N 2 0 293.455 1.875 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001714085960 1178966150 /nfs/dbraw/zinc/96/61/50/1178966150.db2.gz FZGXVHHBXMWOAT-CQSZACIVSA-N 2 0 279.428 1.320 10 0 CDAERP C[N@H+](CCCCCF)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001714544101 1179199994 /nfs/dbraw/zinc/19/99/94/1179199994.db2.gz SIWBODQXUQKDHJ-OAHLLOKOSA-N 2 0 299.434 1.516 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]CCC2CC2)CC[N@@H+]1C ZINC001714707827 1179350670 /nfs/dbraw/zinc/35/06/70/1179350670.db2.gz RXIIALHZSPHNGK-LSDHHAIUSA-N 2 0 281.444 1.565 10 0 CDAERP CN(CC[NH2+]Cc1ccsc1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001714779345 1179393100 /nfs/dbraw/zinc/39/31/00/1179393100.db2.gz DCVGZULABZSCSV-CYBMUJFWSA-N 2 0 295.452 1.638 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]CCCF ZINC001715234048 1179590097 /nfs/dbraw/zinc/59/00/97/1179590097.db2.gz UHOKBUAFDPGMHE-YNEHKIRRSA-N 2 0 273.396 1.028 10 0 CDAERP C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1C[NH2+]CCF ZINC001715430036 1179665914 /nfs/dbraw/zinc/66/59/14/1179665914.db2.gz QOLBXPKFRAEVJX-ZIAGYGMSSA-N 2 0 297.418 1.268 10 0 CDAERP COCCC[N@H+](C)CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001715539896 1179709486 /nfs/dbraw/zinc/70/94/86/1179709486.db2.gz PZOOTQDBQVNCCS-HUUCEWRRSA-N 2 0 299.459 1.286 10 0 CDAERP CC(C)[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001715646004 1179751421 /nfs/dbraw/zinc/75/14/21/1179751421.db2.gz KFBBPQIYVVLWFC-YNEHKIRRSA-N 2 0 255.406 1.219 10 0 CDAERP CCCCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001715706323 1179770000 /nfs/dbraw/zinc/77/00/00/1179770000.db2.gz INSBVXPWIUMMNJ-ZIAGYGMSSA-N 2 0 269.433 1.613 10 0 CDAERP CC[NH2+]C/C=C/CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001715856742 1179874771 /nfs/dbraw/zinc/87/47/71/1179874771.db2.gz XCGLKETUKZXBOT-CMDGGOBGSA-N 2 0 281.444 1.780 10 0 CDAERP CC(C)C[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001715870233 1179884317 /nfs/dbraw/zinc/88/43/17/1179884317.db2.gz VSERGSOZZGRODU-WHJWBVKISA-N 2 0 281.444 1.635 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]C/C=C\Cl ZINC001716070455 1180029809 /nfs/dbraw/zinc/02/98/09/1180029809.db2.gz ZZZYNYGZVFYKSL-PAELRZLGSA-N 2 0 287.835 1.565 10 0 CDAERP CCCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001716141557 1180069279 /nfs/dbraw/zinc/06/92/79/1180069279.db2.gz JBQSTNBUZWVYPU-MGPQQGTHSA-N 2 0 269.433 1.611 10 0 CDAERP CC[C@@H](C(=O)N(C)CCC[NH2+]Cc1cnoc1C)[NH+](C)C ZINC001716568595 1180287892 /nfs/dbraw/zinc/28/78/92/1180287892.db2.gz ONIBSITXYVVPRF-AWEZNQCLSA-N 2 0 296.415 1.261 10 0 CDAERP CCC[NH2+]CC1CC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001717389163 1180644010 /nfs/dbraw/zinc/64/40/10/1180644010.db2.gz DHCBETLIMXFGQU-LQULJDIASA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)COCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001717753946 1180831798 /nfs/dbraw/zinc/83/17/98/1180831798.db2.gz ITWPHHFTUOLJBE-GJZGRUSLSA-N 2 0 299.459 1.047 10 0 CDAERP CC(C)(C)[C@H](C[NH2+]CCF)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001717958587 1180948271 /nfs/dbraw/zinc/94/82/71/1180948271.db2.gz GQPMRQSQWXGXTE-KGLIPLIRSA-N 2 0 299.434 1.418 10 0 CDAERP CC(C)(C)[C@@H](C[NH2+]CCF)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001717958589 1180948745 /nfs/dbraw/zinc/94/87/45/1180948745.db2.gz GQPMRQSQWXGXTE-ZIAGYGMSSA-N 2 0 299.434 1.418 10 0 CDAERP CC[C@H](F)C[NH2+]CCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001723022903 1181510361 /nfs/dbraw/zinc/51/03/61/1181510361.db2.gz MCUUWDFJACSPEC-GJZGRUSLSA-N 2 0 299.434 1.514 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]CCC1CC1)C1CC1 ZINC001723310925 1181535995 /nfs/dbraw/zinc/53/59/95/1181535995.db2.gz GZOBDLYIQLGZCB-HZPDHXFCSA-N 2 0 293.455 1.755 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@@H](C[NH2+]CCF)C2CC2)CC[N@@H+]1C ZINC001723323126 1181537214 /nfs/dbraw/zinc/53/72/14/1181537214.db2.gz IHEOTKAYBCUDBF-UBHSHLNASA-N 2 0 285.407 1.171 10 0 CDAERP CC(C)[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001723443781 1181561831 /nfs/dbraw/zinc/56/18/31/1181561831.db2.gz UYAGKFDWVOJUID-ZDUSSCGKSA-N 2 0 267.417 1.460 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001723920719 1181623932 /nfs/dbraw/zinc/62/39/32/1181623932.db2.gz NACLTJPXUWBVAQ-UONOGXRCSA-N 2 0 267.417 1.461 10 0 CDAERP CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001725366910 1181975800 /nfs/dbraw/zinc/97/58/00/1181975800.db2.gz MQHNUMGRNBRYIM-AVGNSLFASA-N 2 0 255.406 1.221 10 0 CDAERP CC(C)C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001725390907 1181986191 /nfs/dbraw/zinc/98/61/91/1181986191.db2.gz YRVYSLLGFNRWKY-RBSFLKMASA-N 2 0 283.460 1.857 10 0 CDAERP CN(C(=O)CC[NH+]1CCCCC1)[C@@H](C[NH2+]CCF)C1CC1 ZINC001725476779 1182015004 /nfs/dbraw/zinc/01/50/04/1182015004.db2.gz ZKVXIACMJSOIOS-HNNXBMFYSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001725584605 1182062796 /nfs/dbraw/zinc/06/27/96/1182062796.db2.gz CPRCOZFNWZONAZ-OLZOCXBDSA-N 2 0 255.406 1.173 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CCCF)CN1C(=O)CCCC[NH+](C)C ZINC001725595909 1182066768 /nfs/dbraw/zinc/06/67/68/1182066768.db2.gz QMOFEAIVCLLQGF-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCCC(C)C)C1 ZINC001731436187 1182381853 /nfs/dbraw/zinc/38/18/53/1182381853.db2.gz VDAZUZWPLABWMH-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CCCCC[NH2+][C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001731592821 1182468407 /nfs/dbraw/zinc/46/84/07/1182468407.db2.gz YVZUVVAFNNWUNR-UKRRQHHQSA-N 2 0 281.444 1.613 10 0 CDAERP CN(CC[NH2+]CCCF)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001731973375 1182709093 /nfs/dbraw/zinc/70/90/93/1182709093.db2.gz XVHSUYONZNZCIM-UHFFFAOYSA-N 2 0 299.434 1.516 10 0 CDAERP CCC[NH+]1CC(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001732139837 1182798594 /nfs/dbraw/zinc/79/85/94/1182798594.db2.gz OGOVUAZIQZIVQE-UHFFFAOYSA-N 2 0 281.444 1.711 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCC1CC1 ZINC001732225144 1182868880 /nfs/dbraw/zinc/86/88/80/1182868880.db2.gz XTDFYEANRMBOCU-UONOGXRCSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H](C)C[NH2+]CCC(F)(F)F ZINC001732373372 1182932920 /nfs/dbraw/zinc/93/29/20/1182932920.db2.gz PQLZCDULWVBBQT-LLVKDONJSA-N 2 0 297.365 1.621 10 0 CDAERP CCC[NH2+]CC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001732722524 1183099791 /nfs/dbraw/zinc/09/97/91/1183099791.db2.gz VYOLTDPHAFWKPG-CYBMUJFWSA-N 2 0 269.433 1.755 10 0 CDAERP C[C@H](CC[NH2+]CC1CCCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001732755439 1183109427 /nfs/dbraw/zinc/10/94/27/1183109427.db2.gz YVMYRIDMEUIUQY-UKRRQHHQSA-N 2 0 281.444 1.613 10 0 CDAERP CCCC[NH2+]C[C@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001732999392 1183230065 /nfs/dbraw/zinc/23/00/65/1183230065.db2.gz VKXUTLCKFATFHE-KBPBESRZSA-N 2 0 269.433 1.755 10 0 CDAERP C[C@@H](C[N@H+](C)CCCCCF)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001733065193 1183273750 /nfs/dbraw/zinc/27/37/50/1183273750.db2.gz AYVNVUOVNBXCRH-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001733230391 1183357039 /nfs/dbraw/zinc/35/70/39/1183357039.db2.gz ODKORHOBBFKIOY-KBPBESRZSA-N 2 0 267.417 1.175 10 0 CDAERP CCC[NH+]1CCC(C)(NC(=O)C[NH+]2CCCC2)CC1 ZINC001733361753 1183409754 /nfs/dbraw/zinc/40/97/54/1183409754.db2.gz HNKTUXMGJVARDB-UHFFFAOYSA-N 2 0 267.417 1.463 10 0 CDAERP CC[NH2+]C[C@@]1(C)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001733442378 1183433447 /nfs/dbraw/zinc/43/34/47/1183433447.db2.gz WVYUTSRPTJMMHI-UKRRQHHQSA-N 2 0 267.417 1.176 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cnn2ccccc12 ZINC001771932538 1186965058 /nfs/dbraw/zinc/96/50/58/1186965058.db2.gz KKGGFUCRZQMGND-OCZCAGDBSA-N 2 0 270.380 1.764 10 0 CDAERP C[NH+](C)CCCCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000813451493 1163891655 /nfs/dbraw/zinc/89/16/55/1163891655.db2.gz OEMPDPRDUPTVIX-OAHLLOKOSA-N 2 0 287.423 1.657 10 0 CDAERP C[N@@H+]1CCN(C(=O)[C@H]2CC[NH+]2C(C)(C)C)CCC1(C)C ZINC000864063187 1164502184 /nfs/dbraw/zinc/50/21/84/1164502184.db2.gz OOPHJDJKONBYPK-CYBMUJFWSA-N 2 0 281.444 1.802 10 0 CDAERP C[NH+](C)C1(C)CCC(NC(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000868366385 1164939117 /nfs/dbraw/zinc/93/91/17/1164939117.db2.gz YDDLMDHDABAPRG-UHFFFAOYSA-N 2 0 296.459 1.643 10 0 CDAERP [NH3+]CCCCCC(=O)N1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000846700531 811809643 /nfs/dbraw/zinc/80/96/43/811809643.db2.gz XMBPOZXMWHZYOS-RBSFLKMASA-N 2 0 297.443 1.393 10 0 CDAERP C[C@H](c1ccc(OC(F)F)cc1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923461080 811813275 /nfs/dbraw/zinc/81/32/75/811813275.db2.gz LMIIXRJVXZIRQA-GFCCVEGCSA-N 2 0 299.365 1.844 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923402407 812387483 /nfs/dbraw/zinc/38/74/83/812387483.db2.gz GSBCWLZFXNONEH-GOOCMWNKSA-N 3 0 269.433 1.075 10 0 CDAERP CC1(C)[C@H](C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1(F)F ZINC000925704764 812822087 /nfs/dbraw/zinc/82/20/87/812822087.db2.gz FEXSZMHLEUNUIA-KTWSDMTRSA-N 2 0 256.340 1.864 10 0 CDAERP C[C@H]1CN(C)C[C@@H]1[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000722243109 814698708 /nfs/dbraw/zinc/69/87/08/814698708.db2.gz GELKZPNVCYIIFG-LQULJDIASA-N 2 0 253.434 1.789 10 0 CDAERP C[NH+](C)CCC1CC[NH+](C[C@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000844278084 805055517 /nfs/dbraw/zinc/05/55/17/805055517.db2.gz FMLZCMSFSBYUIG-HNNXBMFYSA-N 2 0 295.427 1.633 10 0 CDAERP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccnnc1 ZINC000924632028 805128030 /nfs/dbraw/zinc/12/80/30/805128030.db2.gz LDHKWSVNPYVSRE-CYBMUJFWSA-N 2 0 277.416 1.153 10 0 CDAERP [NH3+]C1(c2noc(/C=C\[C@H]3CCC[NH2+]C3)n2)CCCC1 ZINC000871787027 805218758 /nfs/dbraw/zinc/21/87/58/805218758.db2.gz PAMZZKSPUPHFFA-ISALQUGTSA-N 2 0 262.357 1.810 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)CC[N@@H+]1C ZINC000925342110 805235694 /nfs/dbraw/zinc/23/56/94/805235694.db2.gz ROJVVUDPEKETEC-OLZOCXBDSA-N 2 0 284.448 1.499 10 0 CDAERP C[C@H]1C[N@H+](CCOCC(F)(F)C(F)F)CC[C@@H]1C[NH3+] ZINC000923494861 805285985 /nfs/dbraw/zinc/28/59/85/805285985.db2.gz PLTZXFNLNXUUTC-VHSXEESVSA-N 2 0 286.313 1.820 10 0 CDAERP CCc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)[nH]n1 ZINC000796763008 805298973 /nfs/dbraw/zinc/29/89/73/805298973.db2.gz RJLZRPYFQXLVIF-ZNMIVQPWSA-N 2 0 262.401 1.935 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000852878386 805320044 /nfs/dbraw/zinc/32/00/44/805320044.db2.gz JQECTLHQNJQTGN-UHFFFAOYSA-N 2 0 277.412 1.288 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+][C@H](C2CC2)C2CCOCC2)CC1 ZINC000925118495 805366491 /nfs/dbraw/zinc/36/64/91/805366491.db2.gz SMKSUHNZPAMAIY-OAHLLOKOSA-N 2 0 282.428 1.238 10 0 CDAERP C(OC1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1)C1CC1 ZINC000923318227 811068532 /nfs/dbraw/zinc/06/85/32/811068532.db2.gz XUBFPKQBCLNHMX-HNNXBMFYSA-N 2 0 280.412 1.256 10 0 CDAERP Nc1cccc(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)c1 ZINC000923451543 811283557 /nfs/dbraw/zinc/28/35/57/811283557.db2.gz OFPMQCBLAKXGQU-HNNXBMFYSA-N 2 0 275.396 1.599 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H](O)c2ccccc21 ZINC000854229201 811450546 /nfs/dbraw/zinc/45/05/46/811450546.db2.gz HZCFTYLZMDVKTN-AFWDSHEPSA-N 2 0 276.380 1.507 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(COC)CC1 ZINC000849048941 811803570 /nfs/dbraw/zinc/80/35/70/811803570.db2.gz JHPIGHVDRGFCRZ-GFCCVEGCSA-N 2 0 268.405 1.011 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[C@@H]([NH3+])C(C)C)C1 ZINC000713050611 811819903 /nfs/dbraw/zinc/81/99/03/811819903.db2.gz KMCMKTCLBOABLW-STQMWFEESA-N 2 0 269.433 1.596 10 0 CDAERP C[C@H](Cc1ccc(F)cc1)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925812178 811821707 /nfs/dbraw/zinc/82/17/07/811821707.db2.gz VGXDUGJGMOVFKO-CYBMUJFWSA-N 2 0 279.403 1.769 10 0 CDAERP CN(C(=O)[C@]12CCC[C@H]1[NH2+]CC2)[C@@H]1C[NH+]2CCC1CC2 ZINC000711290417 811836841 /nfs/dbraw/zinc/83/68/41/811836841.db2.gz CBVKLQHCLKVDPH-FMKPAKJESA-N 2 0 277.412 1.071 10 0 CDAERP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)(C)CO ZINC000925042790 811872450 /nfs/dbraw/zinc/87/24/50/811872450.db2.gz UOFDAJZXJVCNLE-KBPBESRZSA-N 2 0 283.460 1.152 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]CC2CCC3(CC2)OCCO3)C1 ZINC000848923957 811874932 /nfs/dbraw/zinc/87/49/32/811874932.db2.gz TWJMQGWLMDFJTD-GASCZTMLSA-N 2 0 282.428 1.850 10 0 CDAERP C[C@@H](CN1CCOCC1)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866706401 811898513 /nfs/dbraw/zinc/89/85/13/811898513.db2.gz HXGHOZGXHXEUIU-HOCLYGCPSA-N 2 0 283.460 1.404 10 0 CDAERP C[NH+]1CCC(C[NH2+][C@H]2CCCN(c3ncccn3)C2)CC1 ZINC000054242043 811903781 /nfs/dbraw/zinc/90/37/81/811903781.db2.gz AOMJGGQPIZDXLR-HNNXBMFYSA-N 2 0 289.427 1.377 10 0 CDAERP C(C[NH2+]C1CC1)CN1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000923363939 811957873 /nfs/dbraw/zinc/95/78/73/811957873.db2.gz GEFURLLQMFOQPC-CABCVRRESA-N 2 0 251.418 1.735 10 0 CDAERP CC[C@H]1CCN(C(=[NH2+])NC[C@H](C)C[NH+]2CCCC2)C1 ZINC000864454169 812004133 /nfs/dbraw/zinc/00/41/33/812004133.db2.gz IINDEMALQHEPSX-KBPBESRZSA-N 2 0 266.433 1.975 10 0 CDAERP C[NH+](C)CC[C@H](N)c1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000844917721 812018355 /nfs/dbraw/zinc/01/83/55/812018355.db2.gz MRMBQQZYEIGCIL-LBPRGKRZSA-N 2 0 286.339 1.336 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CC[NH+](C)C(C)(C)CC2)CC[N@@H+]1C ZINC000871157943 812035845 /nfs/dbraw/zinc/03/58/45/812035845.db2.gz ZUAMVXIZOGWMHX-CHWSQXEVSA-N 2 0 267.417 1.269 10 0 CDAERP C[C@H](C[N@H+](C)CCCCCC[NH3+])CS(C)(=O)=O ZINC000710821316 812057191 /nfs/dbraw/zinc/05/71/91/812057191.db2.gz ZKDMXDIOVMVVQP-GFCCVEGCSA-N 2 0 264.435 1.118 10 0 CDAERP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866702518 812064833 /nfs/dbraw/zinc/06/48/33/812064833.db2.gz BVEJDEFJNLNYBF-WBMJQRKESA-N 2 0 283.460 1.987 10 0 CDAERP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1cccc(CO)c1 ZINC000925814091 812126937 /nfs/dbraw/zinc/12/69/37/812126937.db2.gz FPNISRUISZGYBE-CYBMUJFWSA-N 2 0 277.412 1.253 10 0 CDAERP Cc1cc(N(C)CC(=O)N2CC[NH2+]CC2)c2ccccc2[nH+]1 ZINC000261919546 812220365 /nfs/dbraw/zinc/22/03/65/812220365.db2.gz HRTZWHSLLWJBHN-UHFFFAOYSA-N 2 0 298.390 1.411 10 0 CDAERP CCC[NH+]1CCC([NH2+][C@@H]2CCc3nnn(C)c3C2)CC1 ZINC000927148455 812320769 /nfs/dbraw/zinc/32/07/69/812320769.db2.gz UTDDZZUYADTXLY-CYBMUJFWSA-N 2 0 277.416 1.136 10 0 CDAERP COC(CC[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)OC ZINC000851795972 812324217 /nfs/dbraw/zinc/32/42/17/812324217.db2.gz QNDGKXLZXKXTJW-CQSZACIVSA-N 2 0 270.417 1.659 10 0 CDAERP CC[NH+](CC)C[C@H](C)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000925488910 812360513 /nfs/dbraw/zinc/36/05/13/812360513.db2.gz WBBFEGUNILLLGN-UONOGXRCSA-N 2 0 253.434 1.981 10 0 CDAERP C[C@@H]1C[C@@H](NC[C@H]2C[NH2+]CCC2(F)F)C[N@@H+]1C1CC1 ZINC000925775002 812361402 /nfs/dbraw/zinc/36/14/02/812361402.db2.gz BPYNTJSJPMBOEW-IJLUTSLNSA-N 2 0 273.371 1.446 10 0 CDAERP OCC1([NH2+]C[C@@H](O)C[NH+]2CCCC2)CCCCCCC1 ZINC000713472161 812365786 /nfs/dbraw/zinc/36/57/86/812365786.db2.gz FIFHYWPEVGKXFN-OAHLLOKOSA-N 2 0 284.444 1.508 10 0 CDAERP C[N@H+](CCNC(=O)C=C1CC[NH2+]CC1)C1CCCC1 ZINC000852866940 812435505 /nfs/dbraw/zinc/43/55/05/812435505.db2.gz NWJSRFYXOVXSQW-UHFFFAOYSA-N 2 0 265.401 1.287 10 0 CDAERP C[C@H](CNC(=[NH2+])N[C@H]1C[C@H]1C)[N@@H+]1CCCC[C@@H]1C ZINC000864453300 812498047 /nfs/dbraw/zinc/49/80/47/812498047.db2.gz MGJVZOIANMHHOU-XQHKEYJVSA-N 2 0 252.406 1.772 10 0 CDAERP C[C@@H]1[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CO[C@H]1C ZINC000924711132 812505511 /nfs/dbraw/zinc/50/55/11/812505511.db2.gz FSRLJWAMWBNZBP-HUBLWGQQSA-N 2 0 252.402 1.874 10 0 CDAERP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2ccnc(F)c2)CC1 ZINC000858094347 812646347 /nfs/dbraw/zinc/64/63/47/812646347.db2.gz KXSRKNFPKWHOII-UHFFFAOYSA-N 2 0 280.391 1.336 10 0 CDAERP C[C@@H](C[NH2+]CC1CN(C(=O)OC(C)(C)C)C1)N(C)C ZINC000710947848 812808650 /nfs/dbraw/zinc/80/86/50/812808650.db2.gz BLEFRZLWVTWOLF-NSHDSACASA-N 2 0 271.405 1.393 10 0 CDAERP Cc1cc(C[NH3+])cc(NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)c1 ZINC000870949298 812831246 /nfs/dbraw/zinc/83/12/46/812831246.db2.gz ZOSXVKVYHCNMLH-XUJVJEKNSA-N 2 0 259.353 1.520 10 0 CDAERP CCn1cnnc1CC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925571044 812831980 /nfs/dbraw/zinc/83/19/80/812831980.db2.gz DDJQEBHSAREWEN-CABCVRRESA-N 2 0 291.443 1.598 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cccc(S(C)(=O)=O)c2)C1 ZINC000848563783 812847754 /nfs/dbraw/zinc/84/77/54/812847754.db2.gz XNNZYWQBQUEBLO-OKILXGFUSA-N 2 0 296.436 1.520 10 0 CDAERP C(C[NH2+]C1CC1)CN1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000923363941 812847942 /nfs/dbraw/zinc/84/79/42/812847942.db2.gz GEFURLLQMFOQPC-HUUCEWRRSA-N 2 0 251.418 1.735 10 0 CDAERP [NH3+][C@@H]1CN(C(=O)CCC23CC(C2)C[NH2+]3)C[C@H]1c1ccccc1 ZINC000870943598 812848724 /nfs/dbraw/zinc/84/87/24/812848724.db2.gz QDAHIYYITCIWDD-ZWEVUMDMSA-N 2 0 299.418 1.472 10 0 CDAERP O=C1O[C@@H](C[NH2+][C@@H]2CCC23CCCC3)CC12CC[NH2+]CC2 ZINC000925850807 812857734 /nfs/dbraw/zinc/85/77/34/812857734.db2.gz QJGRVQOKAZQEOU-ZIAGYGMSSA-N 2 0 292.423 1.984 10 0 CDAERP c1cc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)sn1 ZINC000925732680 812866725 /nfs/dbraw/zinc/86/67/25/812866725.db2.gz QZPHBPKQSSDLQA-MGPQQGTHSA-N 2 0 281.425 1.432 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)CCC2CC[NH2+]CC2)C1 ZINC000870994901 812877810 /nfs/dbraw/zinc/87/78/10/812877810.db2.gz XVEZIGIZZZBCOO-KRWDZBQOSA-N 2 0 295.471 1.990 10 0 CDAERP C[C@H]([NH3+])CN(C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000861614707 812879626 /nfs/dbraw/zinc/87/96/26/812879626.db2.gz UDVHJPGXAQLUNH-HIFPTAJRSA-N 2 0 270.421 1.095 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCC[NH+]2CCCCCC2)C1 ZINC000713179633 812880062 /nfs/dbraw/zinc/88/00/62/812880062.db2.gz FOCCHCWUTUTEPP-GZBFAFLISA-N 2 0 265.401 1.106 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC000925828091 812978373 /nfs/dbraw/zinc/97/83/73/812978373.db2.gz ZMLRSGGFQDCZCF-DGKWVBSXSA-N 2 0 294.439 1.414 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000711646717 813063363 /nfs/dbraw/zinc/06/33/63/813063363.db2.gz KIYDYYRMEAZWKW-ZSBIGDGJSA-N 2 0 262.344 1.446 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000713036508 813069295 /nfs/dbraw/zinc/06/92/95/813069295.db2.gz ASUZNYVHJCMJKA-MJBXVCDLSA-N 2 0 283.460 1.985 10 0 CDAERP CN1C[C@H](CC[NH2+][C@H](CCC[NH3+])c2ccccc2)CC1=O ZINC000925813978 813071031 /nfs/dbraw/zinc/07/10/31/813071031.db2.gz WKCLBJLBXGNPBR-GDBMZVCRSA-N 2 0 289.423 1.925 10 0 CDAERP Cc1cc(N(C)CC[NH+]2CC3(C2)CCOCC3)cc[nH+]1 ZINC000866257760 813101864 /nfs/dbraw/zinc/10/18/64/813101864.db2.gz KWXUOCUSMFJRDC-UHFFFAOYSA-N 2 0 275.396 1.939 10 0 CDAERP C[C@H]1C[C@H](N(C)C(=O)NCC2([NH+](C)C)CC2)CC[N@@H+]1C ZINC000923006972 813168247 /nfs/dbraw/zinc/16/82/47/813168247.db2.gz GKFLZXDQKCCBLI-QWHCGFSZSA-N 2 0 282.432 1.205 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000925832202 813255521 /nfs/dbraw/zinc/25/55/21/813255521.db2.gz RHWJCSTWYKAKHM-BBBWBXNWSA-N 2 0 262.397 1.683 10 0 CDAERP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2COC(C)(C)O2)CCN1C ZINC000851798151 813320947 /nfs/dbraw/zinc/32/09/47/813320947.db2.gz ZEJBGJHZKLTSGO-JHJVBQTASA-N 2 0 256.390 1.552 10 0 CDAERP Cc1n[nH]c(CN[C@H]2CCC[C@H]([NH+](C)C)C2)c1C ZINC000716473498 813323542 /nfs/dbraw/zinc/32/35/42/813323542.db2.gz SDOBWSANMFKONW-STQMWFEESA-N 2 0 250.390 1.989 10 0 CDAERP FC1(F)[C@@H]2CCCO[C@@]21C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000854229362 813328052 /nfs/dbraw/zinc/32/80/52/813328052.db2.gz MHTZGANYLVTETF-KTCIRNNBSA-N 2 0 272.339 1.673 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1)CC(C)(C)C ZINC000709174712 813350902 /nfs/dbraw/zinc/35/09/02/813350902.db2.gz FIKUMJVNWMVZJR-ZIAGYGMSSA-N 2 0 283.460 1.846 10 0 CDAERP c1ccc2c(c1)CC[C@]21CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923420366 813364763 /nfs/dbraw/zinc/36/47/63/813364763.db2.gz JYMIWRXTNIQNHK-QFBILLFUSA-N 2 0 298.430 1.955 10 0 CDAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC1CC[NH+](C)CC1 ZINC000251879231 813372483 /nfs/dbraw/zinc/37/24/83/813372483.db2.gz VCBCYGIOYRLPBI-CVEARBPZSA-N 2 0 265.445 1.887 10 0 CDAERP Cc1ccc(CN2CC[NH2+]CC[NH2+]CC2)c(Cl)n1 ZINC000923460400 813388610 /nfs/dbraw/zinc/38/86/10/813388610.db2.gz NFAROWZFHUBRAM-UHFFFAOYSA-N 2 0 268.792 1.038 10 0 CDAERP Cc1nc[nH]c1CC(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000871157358 813390336 /nfs/dbraw/zinc/39/03/36/813390336.db2.gz YHWDAKBSQDHRLF-UHFFFAOYSA-N 2 0 264.373 1.203 10 0 CDAERP CC[C@@H]1CN(C(=O)CCC23CC(C2)C[NH2+]3)CC[C@H]1[NH3+] ZINC000870939992 813468717 /nfs/dbraw/zinc/46/87/17/813468717.db2.gz GDKQCBHDCBXHLH-DNCHLWJUSA-N 2 0 265.401 1.104 10 0 CDAERP CCN(CC)C(=O)[C@H](C)[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714485976 813802728 /nfs/dbraw/zinc/80/27/28/813802728.db2.gz LJEAAKXTWWEFQS-ZDUSSCGKSA-N 2 0 283.460 1.940 10 0 CDAERP COC/C(C)=C\CN1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000929982791 813812696 /nfs/dbraw/zinc/81/26/96/813812696.db2.gz WXKIHBGRMLUBLL-OBHDYHNASA-N 2 0 281.444 1.291 10 0 CDAERP CCn1ncnc1C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000715495738 813866776 /nfs/dbraw/zinc/86/67/76/813866776.db2.gz PKOSUPDGSSHZOT-UHFFFAOYSA-N 2 0 265.405 1.651 10 0 CDAERP C([C@@H]1CC[C@@H](C2CC2)O1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515054 813867811 /nfs/dbraw/zinc/86/78/11/813867811.db2.gz BJSABDRAVGIVRR-XGUBFFRZSA-N 2 0 250.386 1.485 10 0 CDAERP [NH3+][C@H]1CCCCC[C@H]1[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000925829101 813881286 /nfs/dbraw/zinc/88/12/86/813881286.db2.gz BGIJGHDNOQWHMD-AIEDFZFUSA-N 2 0 250.386 1.827 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000925798732 813910137 /nfs/dbraw/zinc/91/01/37/813910137.db2.gz RGOWTPPLQOYCGG-XJFOESAGSA-N 2 0 251.418 1.447 10 0 CDAERP C[N@@H+]1CC[C@H](N[C@H]2CC[NH+](CC(C)(C)O)C2)[C@@H]2CCC[C@@H]21 ZINC000866412398 813926024 /nfs/dbraw/zinc/92/60/24/813926024.db2.gz IIDRANDKHQZDEG-VGWMRTNUSA-N 2 0 295.471 1.294 10 0 CDAERP CN(CC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)CC(F)(F)F ZINC000925475401 813966053 /nfs/dbraw/zinc/96/60/53/813966053.db2.gz CLPKRLQKNFBTSC-WDEREUQCSA-N 2 0 281.366 1.976 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H](O)CCc1ccccc1 ZINC000926149770 814032764 /nfs/dbraw/zinc/03/27/64/814032764.db2.gz YXAGBAWLQIKVTO-SOABOVLPSA-N 2 0 288.435 1.910 10 0 CDAERP O=C1OCCN1CCC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925480176 814094508 /nfs/dbraw/zinc/09/45/08/814094508.db2.gz UWWHPZUCLOKXNZ-CABCVRRESA-N 2 0 295.427 1.587 10 0 CDAERP CCOCCOCCN1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000931545178 814140186 /nfs/dbraw/zinc/14/01/86/814140186.db2.gz BHDWCPIDZAHBJL-KBPBESRZSA-N 2 0 256.390 1.066 10 0 CDAERP CC(C)(C)OCCN1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931285918 814230573 /nfs/dbraw/zinc/23/05/73/814230573.db2.gz FIDRWDIBZPMYNO-UHFFFAOYSA-N 2 0 284.444 1.988 10 0 CDAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](C[C@H](O)CC1CCCC1)CC2 ZINC000923438669 814307477 /nfs/dbraw/zinc/30/74/77/814307477.db2.gz BJBLJSQDVXPBMD-CVEARBPZSA-N 2 0 296.455 1.757 10 0 CDAERP [NH3+][C@H](C[C@@H]1CCC[N@@H+]([C@H]2CCOC2=O)C1)C1CCCC1 ZINC000872157227 814314671 /nfs/dbraw/zinc/31/46/71/814314671.db2.gz NTLVLMJZVGVGNX-CFVMTHIKSA-N 2 0 280.412 1.922 10 0 CDAERP C[N@@H+]1CCN(C(=O)C2CCC([NH3+])CC2)CCC1(C)C ZINC000712685489 814345520 /nfs/dbraw/zinc/34/55/20/814345520.db2.gz PMRDVGGBXFMVDR-UHFFFAOYSA-N 2 0 267.417 1.447 10 0 CDAERP C[C@H]1CCC[C@H](C)C1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925808215 814359526 /nfs/dbraw/zinc/35/95/26/814359526.db2.gz BBDLFDDNTLNCLQ-STQMWFEESA-N 2 0 253.434 1.824 10 0 CDAERP Cn1cncc1CCC[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709854271 814434032 /nfs/dbraw/zinc/43/40/32/814434032.db2.gz NVOOEZNXDAVRDA-ZYHUDNBSSA-N 2 0 290.333 1.422 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000870891865 814446876 /nfs/dbraw/zinc/44/68/76/814446876.db2.gz KLTZQOJMCMWMAQ-QSJFSLAZSA-N 2 0 291.439 1.591 10 0 CDAERP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccnn1C1CCC1 ZINC000926254103 814586662 /nfs/dbraw/zinc/58/66/62/814586662.db2.gz KPXFPRIZKNLMCG-CYBMUJFWSA-N 2 0 280.416 1.837 10 0 CDAERP CCC[NH+]1CCC([NH2+]C[C@@]2(OC)CCSC2)CC1 ZINC000719232593 814602346 /nfs/dbraw/zinc/60/23/46/814602346.db2.gz ZTLYOJNVFIZNBA-AWEZNQCLSA-N 2 0 272.458 1.973 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCO[C@H]2CC2(F)F)C1 ZINC000925707965 814605012 /nfs/dbraw/zinc/60/50/12/814605012.db2.gz AOWQHMCXCDMDAK-MXWKQRLJSA-N 2 0 262.344 1.906 10 0 CDAERP C([C@@H]1CCOC1)[NH+]1CCC([NH2+][C@H]2CCCSC2)CC1 ZINC000131536123 814634007 /nfs/dbraw/zinc/63/40/07/814634007.db2.gz PKQWIKWGAZODKQ-ZFWWWQNUSA-N 2 0 284.469 1.973 10 0 CDAERP C[C@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)c1cnccc1N ZINC000925761393 814675269 /nfs/dbraw/zinc/67/52/69/814675269.db2.gz ATGIQMLCCGOQGN-QWRGUYRKSA-N 2 0 283.397 1.112 10 0 CDAERP C[C@H](CCNC1=[NH+]CCCCN1)[NH+]1CCCCC1 ZINC000849217562 814701137 /nfs/dbraw/zinc/70/11/37/814701137.db2.gz LQTMEAJSOLMGJO-CYBMUJFWSA-N 2 0 252.406 1.580 10 0 CDAERP [NH3+]CCCCCC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000843474762 816769729 /nfs/dbraw/zinc/76/97/29/816769729.db2.gz UYZKNEGCFRDOMT-CQSZACIVSA-N 2 0 253.390 1.108 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711357557 816811333 /nfs/dbraw/zinc/81/13/33/816811333.db2.gz YOVQVTXGCCNQIS-GFCCVEGCSA-N 2 0 255.406 1.080 10 0 CDAERP CC[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)C1(C(=O)OC)CCC1 ZINC000925797588 816813006 /nfs/dbraw/zinc/81/30/06/816813006.db2.gz OWIGPEDBGPAJJZ-MGPQQGTHSA-N 2 0 282.428 1.944 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CCN(c2ccccc2F)CC1 ZINC000111273236 816833595 /nfs/dbraw/zinc/83/35/95/816833595.db2.gz QQNNMDIZLDARCX-KGLIPLIRSA-N 2 0 277.387 1.803 10 0 CDAERP C(C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)O[C@H]1CCOC1 ZINC000724929699 816848086 /nfs/dbraw/zinc/84/80/86/816848086.db2.gz DFJGWSVKKAEKTJ-GJZGRUSLSA-N 2 0 268.401 1.256 10 0 CDAERP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@@H]3C[C@H]4COC[C@@H]4O3)C2)C1 ZINC000930576992 816897461 /nfs/dbraw/zinc/89/74/61/816897461.db2.gz OPNSEYOXYWLQJD-VGWMRTNUSA-N 2 0 280.412 1.208 10 0 CDAERP CCc1nnc(C[NH2+]CC2CC[NH+](C)CC2)s1 ZINC000391776087 816979264 /nfs/dbraw/zinc/97/92/64/816979264.db2.gz JNQRZWWLGPVSBI-UHFFFAOYSA-N 2 0 254.403 1.532 10 0 CDAERP C[C@]1(C[NH2+]Cc2cccnc2-n2ccnc2)CC[NH2+]C1 ZINC000843125894 817052987 /nfs/dbraw/zinc/05/29/87/817052987.db2.gz KIOJTVQNMPEEMN-HNNXBMFYSA-N 2 0 271.368 1.357 10 0 CDAERP C[C@@H]1CCC[C@H]([NH2+]CCN2CCC([NH3+])CC2)[C@@H]1C ZINC000925813554 817053185 /nfs/dbraw/zinc/05/31/85/817053185.db2.gz WAEHZCXWTMAZAY-NFAWXSAZSA-N 2 0 253.434 1.824 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000872035840 817069346 /nfs/dbraw/zinc/06/93/46/817069346.db2.gz ZDQODDCKBMFYDV-CVEARBPZSA-N 2 0 295.471 1.704 10 0 CDAERP C[N@@H+]1CCN(C(=O)[C@H]2CCn3cncc3C2)CCC1(C)C ZINC000871154302 817091376 /nfs/dbraw/zinc/09/13/76/817091376.db2.gz FFNGYPKYJSXFDW-ZDUSSCGKSA-N 2 0 290.411 1.388 10 0 CDAERP O[C@H](C[NH+]1CCCC1)C[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000852759030 817100089 /nfs/dbraw/zinc/10/00/89/817100089.db2.gz JFHNHNZTPLXKNN-ZACQAIPSSA-N 2 0 294.439 1.336 10 0 CDAERP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CCO[C@@H]3CCOC3)C2)C1 ZINC000923387697 817125026 /nfs/dbraw/zinc/12/50/26/817125026.db2.gz JZARCCKKTLJWBZ-JJXSEGSLSA-N 2 0 298.427 1.010 10 0 CDAERP CC(C)C[N@H+](C)CCCN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925705261 817152806 /nfs/dbraw/zinc/15/28/06/817152806.db2.gz AREABFYKZUEBBF-KBPBESRZSA-N 2 0 253.434 1.824 10 0 CDAERP Cn1nccc1[C@H](O)C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925889256 817184567 /nfs/dbraw/zinc/18/45/67/817184567.db2.gz JHBAULUPXZSYRE-GDBMZVCRSA-N 2 0 288.395 1.523 10 0 CDAERP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccnnc1 ZINC000924949742 817226233 /nfs/dbraw/zinc/22/62/33/817226233.db2.gz HIOOLPOUCHMANK-UONOGXRCSA-N 2 0 277.416 1.011 10 0 CDAERP Cc1ccc([C@H](O)C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000923493298 817283394 /nfs/dbraw/zinc/28/33/94/817283394.db2.gz RSLOPYHLXZSRSA-NUEKZKHPSA-N 2 0 262.397 1.945 10 0 CDAERP CC[N@@H+]1CC[C@@H](C[NH2+]CC2CCC3(CC2)OCCO3)C1 ZINC000795900307 817324238 /nfs/dbraw/zinc/32/42/38/817324238.db2.gz VSCPMEWHHAOPLS-HNNXBMFYSA-N 2 0 282.428 1.851 10 0 CDAERP CC[C@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)C(=O)NC ZINC000926551451 817367049 /nfs/dbraw/zinc/36/70/49/817367049.db2.gz MWUBQDNXHQZNOP-WFASDCNBSA-N 2 0 277.412 1.923 10 0 CDAERP C[C@@H]1[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@@H+]1C ZINC000922736487 817480557 /nfs/dbraw/zinc/48/05/57/817480557.db2.gz BTESVYKUYWABQV-RKFYDKJMSA-N 2 0 280.416 1.003 10 0 CDAERP CC[C@@]1(C(=O)N2CC[N@H+](C)C(C)(C)CC2)CCC[NH2+]1 ZINC000712677930 817492967 /nfs/dbraw/zinc/49/29/67/817492967.db2.gz KQJRVDNCENBVRL-HNNXBMFYSA-N 2 0 267.417 1.461 10 0 CDAERP CC(C)n1cc([C@@H](C)[NH2+]CCN2CCC([NH3+])CC2)cn1 ZINC000925812826 817570211 /nfs/dbraw/zinc/57/02/11/817570211.db2.gz ZUIUACJLPOIREW-CYBMUJFWSA-N 2 0 279.432 1.538 10 0 CDAERP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923420272 817591488 /nfs/dbraw/zinc/59/14/88/817591488.db2.gz HKKAQMBIKVLGQF-GTGGMXTKSA-N 3 0 251.418 1.623 10 0 CDAERP [NH3+]CC[C@@H]1CC[N@H+](C[C@@H]2CC[C@@H](C(F)(F)F)O2)C1 ZINC000721503858 817594820 /nfs/dbraw/zinc/59/48/20/817594820.db2.gz FOMBBJNBIDOBJZ-VWYCJHECSA-N 2 0 266.307 1.767 10 0 CDAERP Cn1nc2c(c1C[NH2+]CC1CC[NH+](C3CC3)CC1)CCC2 ZINC000922068933 817751320 /nfs/dbraw/zinc/75/13/20/817751320.db2.gz LGLNOHBHFYDPMJ-UHFFFAOYSA-N 2 0 288.439 1.873 10 0 CDAERP CC1(C)[C@@H]([NH2+]CCCOC2CCOCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925581177 817771558 /nfs/dbraw/zinc/77/15/58/817771558.db2.gz QSTSDYRFPDSUKY-PMPSAXMXSA-N 2 0 296.455 1.938 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000926568211 817800842 /nfs/dbraw/zinc/80/08/42/817800842.db2.gz QYDYCVRSEOOONG-MZBDJJRSSA-N 3 0 270.380 1.764 10 0 CDAERP CCCC[N@H+](CCOC)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923312779 817809365 /nfs/dbraw/zinc/80/93/65/817809365.db2.gz LKQDIHQWYTVOLB-ZDUSSCGKSA-N 2 0 256.390 1.113 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000851677834 817810756 /nfs/dbraw/zinc/81/07/56/817810756.db2.gz XISHLKRWQUMYTK-GOEBONIOSA-N 2 0 294.443 1.256 10 0 CDAERP Cc1cc(CC[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])nn1C ZINC000925833452 817850876 /nfs/dbraw/zinc/85/08/76/817850876.db2.gz JHKAJVAMZHYFSN-WMLDXEAASA-N 2 0 286.423 1.819 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925546868 817859229 /nfs/dbraw/zinc/85/92/29/817859229.db2.gz QOVUGCJISHSIKU-HOTGVXAUSA-N 2 0 296.503 1.510 10 0 CDAERP COC[C@@H](C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1)C(C)C ZINC000929982411 817885706 /nfs/dbraw/zinc/88/57/06/817885706.db2.gz TYBMQFGISZCBLN-SJORKVTESA-N 2 0 297.487 1.617 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)C[C@@H]([NH3+])C2CC2)cc1 ZINC000841848848 817910785 /nfs/dbraw/zinc/91/07/85/817910785.db2.gz YCUYCHANQFZFKM-QMTHXVAHSA-N 2 0 261.369 1.450 10 0 CDAERP C[C@H](C[NH2+]C1[C@@H](C)COC[C@@H]1C)C[NH+]1CCCC1 ZINC000924718456 817964282 /nfs/dbraw/zinc/96/42/82/817964282.db2.gz YKSBGHDGMCBCGF-RDBSUJKOSA-N 2 0 254.418 1.979 10 0 CDAERP C[N@H+](CCNC(=O)C12CCC[NH+](CCC1)C2)CCC1CC1 ZINC001492299533 1167452182 /nfs/dbraw/zinc/45/21/82/1167452182.db2.gz XFHPXMUVIHDFFE-UHFFFAOYSA-N 2 0 293.455 1.711 10 0 CDAERP CCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001567045675 1168528722 /nfs/dbraw/zinc/52/87/22/1168528722.db2.gz IEKDDZBAADOXQP-KBPBESRZSA-N 2 0 269.433 1.613 10 0 CDAERP CC(C)=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001272382799 912980353 /nfs/dbraw/zinc/98/03/53/912980353.db2.gz AYZZJMJHXKCWKQ-HZPDHXFCSA-N 2 0 293.455 1.875 10 0 CDAERP O=C(N1CC[C@H](CC[NH2+]CCF)C1)C12CCC[NH+]1CCC2 ZINC001272487064 913245622 /nfs/dbraw/zinc/24/56/22/913245622.db2.gz WDDHKUQJAWHBAJ-AWEZNQCLSA-N 2 0 297.418 1.413 10 0 CDAERP CCC[NH2+]CC[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001272566393 913456983 /nfs/dbraw/zinc/45/69/83/913456983.db2.gz WBCBBNYDPDHNLA-LSDHHAIUSA-N 2 0 281.444 1.566 10 0 CDAERP CC[N@@H+]1CC[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001266518195 895198611 /nfs/dbraw/zinc/19/86/11/895198611.db2.gz WEQDCTQXOHEIJY-UONOGXRCSA-N 2 0 267.417 1.319 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]CC1CCC1 ZINC001266718223 895902982 /nfs/dbraw/zinc/90/29/82/895902982.db2.gz HKZFSKTWDGDPMJ-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266725442 895922449 /nfs/dbraw/zinc/92/24/49/895922449.db2.gz HXPNHEXQBURIID-HZSPNIEDSA-N 2 0 269.433 1.610 10 0 CDAERP CC[C@@H](C(=O)N1CC[C@H](C[NH2+]CC=C(C)C)C1)[NH+](C)C ZINC001267058930 896657296 /nfs/dbraw/zinc/65/72/96/896657296.db2.gz REKZPKHNHABABS-CABCVRRESA-N 2 0 281.444 1.731 10 0 CDAERP CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001267070685 896685453 /nfs/dbraw/zinc/68/54/53/896685453.db2.gz ORNCZFTZUXWCHR-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)[C@H](C(=O)N(C)CC[NH2+]CCCF)[NH+]1CCCC1 ZINC001267116801 896837795 /nfs/dbraw/zinc/83/77/95/896837795.db2.gz HXWXSBHJKXITAJ-CQSZACIVSA-N 2 0 287.423 1.514 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001267423490 897885074 /nfs/dbraw/zinc/88/50/74/897885074.db2.gz PGZPGDOIWJWKMO-OKILXGFUSA-N 2 0 265.401 1.023 10 0 CDAERP COC(=O)N(C)CC[N@H+](C)CCCC1CC[NH2+]CC1 ZINC000690770282 897886524 /nfs/dbraw/zinc/88/65/24/897886524.db2.gz BCAXDWMZMYWEEA-UHFFFAOYSA-N 2 0 271.405 1.396 10 0 CDAERP CN(CC[NH2+]CCc1ccccc1)C(=O)CC[NH+](C)C ZINC001267424149 897889020 /nfs/dbraw/zinc/88/90/20/897889020.db2.gz FKAGZCRWMLUJAB-UHFFFAOYSA-N 2 0 277.412 1.229 10 0 CDAERP CC[N@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)CC1CC1 ZINC001481018398 898506430 /nfs/dbraw/zinc/50/64/30/898506430.db2.gz KYUFYXVHDHPDPN-OKILXGFUSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001481042290 898663808 /nfs/dbraw/zinc/66/38/08/898663808.db2.gz FPOWCCNKUVAULV-KGLIPLIRSA-N 2 0 299.434 1.799 10 0 CDAERP CC(C)CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001481069327 898724435 /nfs/dbraw/zinc/72/44/35/898724435.db2.gz HQQRHQBDKIGXQT-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267748952 899565476 /nfs/dbraw/zinc/56/54/76/899565476.db2.gz FGCXYUNSZHCZTQ-MCIONIFRSA-N 2 0 269.433 1.563 10 0 CDAERP CCC[NH2+]C[C@](C)(NC(=O)C[N@H+](C)C(C)C)C1CC1 ZINC001267864288 899897099 /nfs/dbraw/zinc/89/70/99/899897099.db2.gz ATYOOYRTBNXUMN-HNNXBMFYSA-N 2 0 269.433 1.611 10 0 CDAERP CCCn1ccnc1CCC[N@H+](C)CN1CCOC1=S ZINC000191276465 899976869 /nfs/dbraw/zinc/97/68/69/899976869.db2.gz IYBHMVGYTAFXTJ-UHFFFAOYSA-N 2 0 296.440 1.732 10 0 CDAERP CC(C)C[NH2+]CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001481302918 900270782 /nfs/dbraw/zinc/27/07/82/900270782.db2.gz SXMGAHAOTUTHQU-CYBMUJFWSA-N 2 0 255.406 1.032 10 0 CDAERP CCC[C@H](O)C[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001177008798 914430025 /nfs/dbraw/zinc/43/00/25/914430025.db2.gz NZPSCZHJRYBTGG-HRCADAONSA-N 2 0 266.429 1.955 10 0 CDAERP CN(CC[NH2+]CC1CCC1)C(=O)CC[NH+]1CCCCC1 ZINC001481319994 900379698 /nfs/dbraw/zinc/37/96/98/900379698.db2.gz RYUVQILWZNOFGJ-UHFFFAOYSA-N 2 0 281.444 1.711 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1CC[NH2+]CCF ZINC001268165324 901476335 /nfs/dbraw/zinc/47/63/35/901476335.db2.gz FLZQCNQMMNXQIY-AWEZNQCLSA-N 2 0 287.423 1.657 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001481739227 901986733 /nfs/dbraw/zinc/98/67/33/901986733.db2.gz VCJKAASSERGOOM-CABCVRRESA-N 2 0 283.460 1.907 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]CCC(F)(F)F)[NH+](C)C ZINC001268417519 902032213 /nfs/dbraw/zinc/03/22/13/902032213.db2.gz ZTJVZGDLONBZTC-QWRGUYRKSA-N 2 0 297.365 1.763 10 0 CDAERP C[NH+]1CCC(C(=O)NC/C=C\C[NH2+]CC2CC2)CC1 ZINC001268588194 902691708 /nfs/dbraw/zinc/69/17/08/902691708.db2.gz PDUDRKCYRFUEFG-IHWYPQMZSA-N 2 0 265.401 1.000 10 0 CDAERP C[C@@H](O)CCC[NH2+]C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001268657425 902908581 /nfs/dbraw/zinc/90/85/81/902908581.db2.gz VFUXFMIKCFUJJW-ZIAGYGMSSA-N 2 0 299.459 1.116 10 0 CDAERP CN(CCC[NH2+]CC1CC(C)(C)C1)C(=O)CC[NH+](C)C ZINC001268835650 903170511 /nfs/dbraw/zinc/17/05/11/903170511.db2.gz JPEUWYACGTXQKP-UHFFFAOYSA-N 2 0 283.460 1.812 10 0 CDAERP C[NH+]1CCC(C(=O)N[C@H](C[NH2+]CCCF)C2CC2)CC1 ZINC001269110875 903431871 /nfs/dbraw/zinc/43/18/71/903431871.db2.gz PJLSOKLKXYMAEZ-CQSZACIVSA-N 2 0 285.407 1.172 10 0 CDAERP CCC[NH2+]C[C@H](NC(=O)C[N@H+](C)C(C)C)C1CC1 ZINC001269148508 903481654 /nfs/dbraw/zinc/48/16/54/903481654.db2.gz DPECMXHOEAHAGZ-ZDUSSCGKSA-N 2 0 255.406 1.221 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H]1C[NH2+]C/C=C\Cl ZINC001270129956 904387210 /nfs/dbraw/zinc/38/72/10/904387210.db2.gz XLSHPLRVKXGLTH-KMSCOEIWSA-N 2 0 273.808 1.271 10 0 CDAERP CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001270258575 904484872 /nfs/dbraw/zinc/48/48/72/904484872.db2.gz AWWXXHSQIJHEFG-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@H](C[NH2+]C/C=C/Cl)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001482291756 904667958 /nfs/dbraw/zinc/66/79/58/904667958.db2.gz INUBYPATMMCPRK-FZKGZDJFSA-N 2 0 287.835 1.660 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001482329925 905080636 /nfs/dbraw/zinc/08/06/36/905080636.db2.gz FWMOAIFKNHPLJY-ZIAGYGMSSA-N 2 0 269.433 1.421 10 0 CDAERP C[C@H](C[NH2+]CCCF)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482353250 905177060 /nfs/dbraw/zinc/17/70/60/905177060.db2.gz GEDIFCJPLXKZFO-OLZOCXBDSA-N 2 0 273.396 1.124 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)C(C)C ZINC001482368885 905214335 /nfs/dbraw/zinc/21/43/35/905214335.db2.gz JNFOYKPPXOKPBG-OLZOCXBDSA-N 2 0 275.412 1.511 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CCCC[C@H]1CC[NH2+]CCCF ZINC001482460460 905696802 /nfs/dbraw/zinc/69/68/02/905696802.db2.gz JUUWQCJPJHIOPS-HNNXBMFYSA-N 2 0 299.434 1.803 10 0 CDAERP COCCC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001271428455 906337385 /nfs/dbraw/zinc/33/73/85/906337385.db2.gz WEBQHGRITFYWQQ-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP COCC[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001271450275 906433589 /nfs/dbraw/zinc/43/35/89/906433589.db2.gz UZXGQQLAFNKCSL-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCC1(COC)CC1 ZINC000849045048 906799506 /nfs/dbraw/zinc/79/95/06/906799506.db2.gz AVLNYMSQGPIBFW-ZDUSSCGKSA-N 2 0 282.432 1.401 10 0 CDAERP Cc1nocc1C[NH2+]CC[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001482900530 908465266 /nfs/dbraw/zinc/46/52/66/908465266.db2.gz CSLZMXNKUKXWTL-GFCCVEGCSA-N 2 0 296.415 1.308 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CC[NH2+]Cc1nccs1 ZINC001482900981 908466090 /nfs/dbraw/zinc/46/60/90/908466090.db2.gz IBSOXHVUAJWXGG-LBPRGKRZSA-N 2 0 298.456 1.468 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CC1CC1 ZINC001483026665 908720569 /nfs/dbraw/zinc/72/05/69/908720569.db2.gz PHJQEYAJWAFOLZ-NQHOJNORSA-N 2 0 265.401 1.143 10 0 CDAERP CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc1ccsc1)[NH+](C)C ZINC001483060190 909197634 /nfs/dbraw/zinc/19/76/34/909197634.db2.gz FRPJVCARJNYSTN-GXMNPTEKSA-N 2 0 295.452 1.850 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NCC[NH+]1CCCC1 ZINC000713043992 909600829 /nfs/dbraw/zinc/60/08/29/909600829.db2.gz PGHQNJGMSRABHK-LBPRGKRZSA-N 2 0 255.406 1.208 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)Cc1ccccc1 ZINC000715154395 909842372 /nfs/dbraw/zinc/84/23/72/909842372.db2.gz SQSFKNZTRJVUJC-STQMWFEESA-N 2 0 297.349 1.075 10 0 CDAERP C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)[NH2+]CC1CC1 ZINC001409357194 910322612 /nfs/dbraw/zinc/32/26/12/910322612.db2.gz KRGWAZJWXLICOJ-UONOGXRCSA-N 2 0 293.455 1.755 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1cncc(F)c1 ZINC001409416546 910379084 /nfs/dbraw/zinc/37/90/84/910379084.db2.gz QWIKOBOYSWLXDB-NWDGAFQWSA-N 2 0 296.390 1.155 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H](C)[NH2+]C/C=C\Cl ZINC001409432073 910401644 /nfs/dbraw/zinc/40/16/44/910401644.db2.gz USCDQVJSGYUHHV-WAIVJAFWSA-N 2 0 275.824 1.564 10 0 CDAERP CCOCC[N@H+](C)C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001483393265 911049337 /nfs/dbraw/zinc/04/93/37/911049337.db2.gz OXMOLLJTUIZJGE-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+](CCOC2CCC2)C1 ZINC001484056387 915370058 /nfs/dbraw/zinc/37/00/58/915370058.db2.gz AQDANJSQFVDSFM-INIZCTEOSA-N 2 0 297.443 1.088 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[NH+](C(C)C)C2 ZINC001484319727 915614666 /nfs/dbraw/zinc/61/46/66/915614666.db2.gz DSRXOYIGIFXROR-KKUMJFAQSA-N 2 0 281.444 1.706 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[NH+](C(C)C)C2 ZINC001484319729 915615652 /nfs/dbraw/zinc/61/56/52/915615652.db2.gz DSRXOYIGIFXROR-ZNMIVQPWSA-N 2 0 281.444 1.706 10 0 CDAERP C[NH+](C)CCCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCF ZINC001484462398 915788527 /nfs/dbraw/zinc/78/85/27/915788527.db2.gz MHOSQOCAOGVNFC-GJZGRUSLSA-N 2 0 299.434 1.753 10 0 CDAERP CC1CC(C[N@@H+]2CCC[C@H](NC(=O)CC[NH+](C)C)CC2)C1 ZINC001484724734 916085422 /nfs/dbraw/zinc/08/54/22/916085422.db2.gz XITPQYMIADFTCF-GPANFISMSA-N 2 0 295.471 1.955 10 0 CDAERP CN(CCC[N@H+](C)CCF)C(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001484759916 916125111 /nfs/dbraw/zinc/12/51/11/916125111.db2.gz OXEDXLMSJNBBNR-LSDHHAIUSA-N 2 0 299.434 1.753 10 0 CDAERP CC(C)CC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001484896940 916250659 /nfs/dbraw/zinc/25/06/59/916250659.db2.gz FASDVCJCCYQIII-LSDHHAIUSA-N 2 0 283.460 1.811 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1CCC(C)([NH2+]CC)CC1 ZINC001484926470 916273906 /nfs/dbraw/zinc/27/39/06/916273906.db2.gz DOEZGVWJTJFFLJ-UHFFFAOYSA-N 2 0 269.433 1.709 10 0 CDAERP C[C@@H](CCNC(=O)CC[NH+](C)C)[NH2+]Cc1ccsc1 ZINC001484997990 916362917 /nfs/dbraw/zinc/36/29/17/916362917.db2.gz FXKAIZQOHXUVGM-LBPRGKRZSA-N 2 0 283.441 1.684 10 0 CDAERP Cc1conc1C[NH2+][C@@H](C)CCNC(=O)C[NH+]1CCCC1 ZINC001485002218 916366745 /nfs/dbraw/zinc/36/67/45/916366745.db2.gz DLPRJRBOLVUEAZ-ZDUSSCGKSA-N 2 0 294.399 1.063 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)N(C)Cc1cnc(C)o1)[NH+](C)C ZINC001485317908 916801463 /nfs/dbraw/zinc/80/14/63/916801463.db2.gz CRHGOZZPSCSUSP-BXUZGUMPSA-N 2 0 296.415 1.260 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[N@H+](C)CCC1CC1 ZINC001485304639 916818443 /nfs/dbraw/zinc/81/84/43/916818443.db2.gz YUWLEIWVSVJBMX-XJKSGUPXSA-N 2 0 293.455 1.565 10 0 CDAERP CCCCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001485340672 916855050 /nfs/dbraw/zinc/85/50/50/916855050.db2.gz YAFVQRITFZIPER-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP CCCC[N@H+](C)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001485373892 916910440 /nfs/dbraw/zinc/91/04/40/916910440.db2.gz YOLVZRBEDPLEQY-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)C(C)C ZINC001485390208 916942204 /nfs/dbraw/zinc/94/22/04/916942204.db2.gz XVNOSPVSBZYTHV-KGLIPLIRSA-N 2 0 269.433 1.706 10 0 CDAERP CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001485557584 917086074 /nfs/dbraw/zinc/08/60/74/917086074.db2.gz DLKCJTKULFUIMU-INIZCTEOSA-N 2 0 297.443 1.042 10 0 CDAERP CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001485618432 917131128 /nfs/dbraw/zinc/13/11/28/917131128.db2.gz DBMKIIZELRYFCI-PHZGNYQRSA-N 2 0 293.455 1.422 10 0 CDAERP CN(C(=O)CCCCC[NH3+])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000831906212 936545049 /nfs/dbraw/zinc/54/50/49/936545049.db2.gz ZKCIUYMJWRWYPG-ZDUSSCGKSA-N 2 0 253.390 1.201 10 0 CDAERP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1ccccc1F ZINC001485919065 920575819 /nfs/dbraw/zinc/57/58/19/920575819.db2.gz JLKCKVLIKFDFFR-ZDUSSCGKSA-N 2 0 295.402 1.714 10 0 CDAERP CC(C)[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001486409027 920983760 /nfs/dbraw/zinc/98/37/60/920983760.db2.gz GDELYFMTUMWIBK-LBPRGKRZSA-N 2 0 257.422 1.467 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)[C@H](C)C[NH2+]CC=C(C)C ZINC001568310915 1169236683 /nfs/dbraw/zinc/23/66/83/1169236683.db2.gz IMJFBYJAQNJPDC-CQSZACIVSA-N 2 0 269.433 1.731 10 0 CDAERP C[NH+](C)C1(CNC(=O)[C@@H]2C[NH2+]CC2(C)C)CCCCC1 ZINC000711223071 923412082 /nfs/dbraw/zinc/41/20/82/923412082.db2.gz HJCCUOGTQMQRNN-ZDUSSCGKSA-N 2 0 281.444 1.613 10 0 CDAERP CC/C=C\CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001649452866 1169260844 /nfs/dbraw/zinc/26/08/44/1169260844.db2.gz JHVZKGUQJVWNKQ-JBZXTQMFSA-N 2 0 281.444 1.921 10 0 CDAERP C(C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)O[C@H]1CCOC1 ZINC000923357878 923766286 /nfs/dbraw/zinc/76/62/86/923766286.db2.gz VEVNQHUEMBWTPE-CABCVRRESA-N 2 0 268.401 1.113 10 0 CDAERP C(C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)O[C@@H]1CCOC1 ZINC000923365782 923780764 /nfs/dbraw/zinc/78/07/64/923780764.db2.gz YWJPPWLDOXOPBR-ZNMIVQPWSA-N 2 0 268.401 1.256 10 0 CDAERP C[C@H]1C[N@H+](CCC(=O)NC2CCCC2)CC[C@H]1C[NH3+] ZINC000923501065 923885076 /nfs/dbraw/zinc/88/50/76/923885076.db2.gz YWARMBGTGKPZIC-STQMWFEESA-N 2 0 267.417 1.352 10 0 CDAERP CC(C)=CC[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCC1 ZINC001273200430 924475268 /nfs/dbraw/zinc/47/52/68/924475268.db2.gz BCISEBACPPYTFF-UHFFFAOYSA-N 2 0 279.428 1.677 10 0 CDAERP CC(C)OCC[N@H+](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001410245778 925445883 /nfs/dbraw/zinc/44/58/83/925445883.db2.gz CRVXMCWOFSYUCK-UHFFFAOYSA-N 2 0 299.459 1.286 10 0 CDAERP CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]C/C=C\Cl)[NH+](C)C ZINC001410395715 925597943 /nfs/dbraw/zinc/59/79/43/925597943.db2.gz PCIGMCVECAYQLE-FUMJMOHISA-N 2 0 275.824 1.516 10 0 CDAERP COC[C@H](C)[N@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001489338152 926873236 /nfs/dbraw/zinc/87/32/36/926873236.db2.gz IUTVFPGNUCSGQZ-GJZGRUSLSA-N 2 0 299.459 1.286 10 0 CDAERP CC(C)[NH+]1CCCC[C@@H]1C(=O)NCCC[N@@H+](C)C[C@H](C)O ZINC001490255455 927063691 /nfs/dbraw/zinc/06/36/91/927063691.db2.gz CVTSMJVWHYLPMK-LSDHHAIUSA-N 2 0 299.459 1.068 10 0 CDAERP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ncc[nH]1 ZINC000850483923 927435214 /nfs/dbraw/zinc/43/52/14/927435214.db2.gz YNHQFKBRUFMOPH-ZDUSSCGKSA-N 2 0 292.427 1.951 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)C=C1CC[NH2+]CC1)c1ccccc1 ZINC000852855206 927896100 /nfs/dbraw/zinc/89/61/00/927896100.db2.gz WPTDFISLEGUBFQ-INIZCTEOSA-N 2 0 287.407 1.715 10 0 CDAERP CC[C@H](CCO)C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693666234 937250072 /nfs/dbraw/zinc/25/00/72/937250072.db2.gz JGOAWBGNEDZSBN-YIYPIFLZSA-N 2 0 254.418 1.761 10 0 CDAERP Cn1cc(C[NH2+]CC2(C)CC[NH+](C)CC2)c(Cl)n1 ZINC000856776520 928626626 /nfs/dbraw/zinc/62/66/26/928626626.db2.gz UJXXUJNQVQNAMV-UHFFFAOYSA-N 2 0 270.808 1.895 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@@H]1CCn2cncc21 ZINC000857986815 928791279 /nfs/dbraw/zinc/79/12/79/928791279.db2.gz XCMLUJBYVXRBPP-IJLUTSLNSA-N 2 0 262.357 1.317 10 0 CDAERP CN(C)C1(C[N@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC000699301584 937301601 /nfs/dbraw/zinc/30/16/01/937301601.db2.gz PANLAIODPNRJPV-GOOCMWNKSA-N 2 0 265.445 1.933 10 0 CDAERP CC(C)COCC[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001568504301 1169338006 /nfs/dbraw/zinc/33/80/06/1169338006.db2.gz VDVZYDSJWDJJNS-OAHLLOKOSA-N 2 0 299.459 1.001 10 0 CDAERP CC[C@H](F)C[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001274609664 931519660 /nfs/dbraw/zinc/51/96/60/931519660.db2.gz LKJABUVHBMCXDQ-NHQLZKDQSA-N 2 0 299.434 1.871 10 0 CDAERP C[NH+](C)CC1(C(=O)N2CCCC[C@H]2C[NH2+]CCCF)CC1 ZINC001275024698 931636593 /nfs/dbraw/zinc/63/65/93/931636593.db2.gz OEFVOJZXIXGNGI-AWEZNQCLSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]CCC(F)(F)F)[NH+](C)C ZINC001321877614 931649491 /nfs/dbraw/zinc/64/94/91/931649491.db2.gz AAAYDTQVBBOUEX-QWRGUYRKSA-N 2 0 297.365 1.619 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001275309802 931731558 /nfs/dbraw/zinc/73/15/58/931731558.db2.gz MMCDJQPHFDCVAU-KGLIPLIRSA-N 2 0 269.433 1.469 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)CC[NH+]1CC[C@@H](F)C1 ZINC001411852294 932075451 /nfs/dbraw/zinc/07/54/51/932075451.db2.gz ICMHPXAUGGNMEY-CYBMUJFWSA-N 2 0 273.396 1.268 10 0 CDAERP CCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001276011020 932233880 /nfs/dbraw/zinc/23/38/80/932233880.db2.gz KLXDDWMWAMJSBL-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(CCO)CCCC1 ZINC000925195673 932859307 /nfs/dbraw/zinc/85/93/07/932859307.db2.gz VVROOAMSKACDDG-YIONKMFJSA-N 2 0 266.429 1.859 10 0 CDAERP C[C@H](Cn1ccnc1)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925543888 932902771 /nfs/dbraw/zinc/90/27/71/932902771.db2.gz OGCIASKVTRXAQZ-FRRDWIJNSA-N 2 0 250.390 1.767 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]CCC(=O)NCc2ccccc2)C12CCC2 ZINC000925543710 932902975 /nfs/dbraw/zinc/90/29/75/932902975.db2.gz OCZOEYZBLLRURA-CABCVRRESA-N 2 0 287.407 1.552 10 0 CDAERP CC1(C)[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925563890 932905798 /nfs/dbraw/zinc/90/57/98/932905798.db2.gz WSKGNFVCTLXPJY-CQJMVSDSSA-N 2 0 277.456 1.979 10 0 CDAERP CC[C@H](CN[C@H]1CC[NH2+]C12CCC2)[NH+]1CCCC1 ZINC000925607254 932913202 /nfs/dbraw/zinc/91/32/02/932913202.db2.gz UAMMPZWSBVDIPI-KGLIPLIRSA-N 2 0 251.418 1.735 10 0 CDAERP CC1(C)[C@H]([NH2+]CCC2=CC[NH2+]CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925702825 932929580 /nfs/dbraw/zinc/92/95/80/932929580.db2.gz AFBUJDKIVAZDRS-QLFBSQMISA-N 3 0 263.429 1.662 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@H]2CN(C3CC3)C(=O)O2)C1 ZINC000925714262 932931664 /nfs/dbraw/zinc/93/16/64/932931664.db2.gz OTXWZPAZYYCEFI-WZRBSPASSA-N 2 0 281.400 1.465 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000925786802 932938903 /nfs/dbraw/zinc/93/89/03/932938903.db2.gz VFDTZVVAVPHCHU-NEPJUHHUSA-N 2 0 254.374 1.117 10 0 CDAERP Cc1ccccc1C[C@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925808188 932940415 /nfs/dbraw/zinc/94/04/15/932940415.db2.gz AQLWWRPNUMCRSA-HNNXBMFYSA-N 2 0 275.440 1.939 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]CCCCCN2CC[NH2+]CC2)CCO1 ZINC000925846297 932945723 /nfs/dbraw/zinc/94/57/23/932945723.db2.gz VMVZZLBGJMRRLA-GJZGRUSLSA-N 2 0 269.433 1.219 10 0 CDAERP C[C@@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1cccc(C[NH+](C)C)c1 ZINC000926646885 933008213 /nfs/dbraw/zinc/00/82/13/933008213.db2.gz PGIVBQVNMXLMJI-DFBGVHRSSA-N 2 0 275.396 1.663 10 0 CDAERP CCON1CCC([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000926665785 933011181 /nfs/dbraw/zinc/01/11/81/933011181.db2.gz MAAPULHIICIUBL-XBXGTLAGSA-N 2 0 255.406 1.332 10 0 CDAERP Cn1ccnc1[C@@H]1CC[N@H+](Cc2noc3c2COCC3)C1 ZINC000930092528 933314085 /nfs/dbraw/zinc/31/40/85/933314085.db2.gz AUZSLBGYIYKHQS-LLVKDONJSA-N 2 0 288.351 1.470 10 0 CDAERP CC[NH+]1CCN(CC(C)(C)[NH2+]C/C=C(/C)COC)CC1 ZINC000930663211 933427470 /nfs/dbraw/zinc/42/74/70/933427470.db2.gz GEVZJRMYAJACJP-CHHVJCJISA-N 2 0 283.460 1.585 10 0 CDAERP C[C@H]1OCC[C@@H]1C[NH+]1CCC(N2CCCOCC2)CC1 ZINC000931284750 933530929 /nfs/dbraw/zinc/53/09/29/933530929.db2.gz AXKQPHQXQKNARI-HUUCEWRRSA-N 2 0 282.428 1.598 10 0 CDAERP CO[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000687343723 934279114 /nfs/dbraw/zinc/27/91/14/934279114.db2.gz SWNWHQPXRPKNST-HRCADAONSA-N 2 0 283.460 1.416 10 0 CDAERP Cc1cc(N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)nc(N)[nH+]1 ZINC000720445287 935138721 /nfs/dbraw/zinc/13/87/21/935138721.db2.gz RELYRPXYVXSCFD-MNOVXSKESA-N 2 0 279.413 1.359 10 0 CDAERP CCSCC[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720811401 935248768 /nfs/dbraw/zinc/24/87/68/935248768.db2.gz OTJGGURBMBOTIQ-BDAKNGLRSA-N 2 0 256.337 1.809 10 0 CDAERP CC/C=C/CC[NH+]1CC([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001276460088 939756609 /nfs/dbraw/zinc/75/66/09/939756609.db2.gz IMTGSFTWHVCOTL-MBVDDHJVSA-N 2 0 293.455 1.875 10 0 CDAERP C[C@@H]1CC[C@@H]([NH2+]CCC2(C[NH3+])CC2)[C@@H](n2cncn2)C1 ZINC001649860048 1169442705 /nfs/dbraw/zinc/44/27/05/1169442705.db2.gz ABWNYCNTMIGKAL-MCIONIFRSA-N 2 0 277.416 1.726 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001497993637 973603399 /nfs/dbraw/zinc/60/33/99/973603399.db2.gz RNHRNIHPWKCCJT-NEPJUHHUSA-N 2 0 261.385 1.169 10 0 CDAERP CC(C)[C@H](CN[C@@H]1C[C@@H]([NH3+])C12CCC2)[NH+]1CCCC1 ZINC000405322546 940980812 /nfs/dbraw/zinc/98/08/12/940980812.db2.gz VNLHCOUDEOZQCM-RRFJBIMHSA-N 2 0 265.445 1.966 10 0 CDAERP CC[N@@H+]1CC[C@H]1C(=O)N1CCC2(CCC[NH+]2C)CC1 ZINC001546197547 970819649 /nfs/dbraw/zinc/81/96/49/970819649.db2.gz KTPPNQJTVINEBJ-ZDUSSCGKSA-N 2 0 265.401 1.167 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)NCC[NH+]2CCCCC2)C1 ZINC001362051754 970822500 /nfs/dbraw/zinc/82/25/00/970822500.db2.gz DSWGYMWFBQJRNJ-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@@H]1C[C@@H](C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)CCO1 ZINC001473703690 970834450 /nfs/dbraw/zinc/83/44/50/970834450.db2.gz WAJMRDUPXZWKTP-BARDWOONSA-N 2 0 252.402 1.685 10 0 CDAERP CC[C@H](F)C[NH2+]CCN(CC)C(=O)C[NH+]1CCCC1 ZINC001568797865 1169478360 /nfs/dbraw/zinc/47/83/60/1169478360.db2.gz OKLSMZCEYMGBAT-ZDUSSCGKSA-N 2 0 273.396 1.268 10 0 CDAERP CCC[NH2+]C[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001283080920 942818705 /nfs/dbraw/zinc/81/87/05/942818705.db2.gz USPWFHSNYHOQFD-MQMHXKEQSA-N 2 0 267.417 1.223 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]CC2CC2)C1 ZINC001283102217 942823129 /nfs/dbraw/zinc/82/31/29/942823129.db2.gz ZMJHVMVJIHEDHY-HDJSIYSDSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@@H](CN(C)C(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CCCO ZINC001283611393 942947190 /nfs/dbraw/zinc/94/71/90/942947190.db2.gz BGJVBZQKBJWXBD-AWEZNQCLSA-N 2 0 299.459 1.070 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@H]1CC[C@@H](C[NH2+]CCC2CC2)C1 ZINC001284247875 943130010 /nfs/dbraw/zinc/13/00/10/943130010.db2.gz RJBXRJCYSMBAMC-CVEARBPZSA-N 2 0 293.455 1.757 10 0 CDAERP CCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001263808630 943979277 /nfs/dbraw/zinc/97/92/77/943979277.db2.gz BKRAZYZAHKGJQU-AWEZNQCLSA-N 2 0 269.433 1.661 10 0 CDAERP CC/C=C/CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001263827945 943991988 /nfs/dbraw/zinc/99/19/88/943991988.db2.gz UTHAHFPCIVCXQJ-LRJREAJHSA-N 2 0 293.455 1.921 10 0 CDAERP COCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001264380563 944120418 /nfs/dbraw/zinc/12/04/18/944120418.db2.gz MGAZCVOQAFYFGN-HNNXBMFYSA-N 2 0 297.443 1.042 10 0 CDAERP CC(C)=CC[N@H+](C)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001265057944 944217172 /nfs/dbraw/zinc/21/71/72/944217172.db2.gz BGTCYNHYBGNKCY-UHFFFAOYSA-N 2 0 279.428 1.487 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001265301502 944332953 /nfs/dbraw/zinc/33/29/53/944332953.db2.gz LUXNDLXZIHPGOT-STQMWFEESA-N 2 0 255.406 1.175 10 0 CDAERP CCOCC[NH2+]C[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001265636113 944452751 /nfs/dbraw/zinc/45/27/51/944452751.db2.gz DTZKUKWLFLDLHJ-HNNXBMFYSA-N 2 0 299.459 1.191 10 0 CDAERP COCCCC[NH2+]C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001277997562 944540901 /nfs/dbraw/zinc/54/09/01/944540901.db2.gz NMCXCQZRCJFMRQ-OAHLLOKOSA-N 2 0 297.443 1.089 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H](C[NH2+]CCF)C1 ZINC001265983618 944613587 /nfs/dbraw/zinc/61/35/87/944613587.db2.gz WYFDCUXTFBZOTN-OLZOCXBDSA-N 2 0 291.386 1.074 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001479264232 971278186 /nfs/dbraw/zinc/27/81/86/971278186.db2.gz JVPRDFXWNNBVKX-HOTGVXAUSA-N 2 0 295.471 1.907 10 0 CDAERP CCC[N@H+](C)CCCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001479778038 971414422 /nfs/dbraw/zinc/41/44/22/971414422.db2.gz KLSZWPZIWUMNJS-UHFFFAOYSA-N 2 0 299.459 1.193 10 0 CDAERP C[C@@H]([NH2+]CCCF)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001279006040 948563780 /nfs/dbraw/zinc/56/37/80/948563780.db2.gz IGHLDKPZSOAHAN-KGLIPLIRSA-N 2 0 299.434 1.657 10 0 CDAERP CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001480022315 971543158 /nfs/dbraw/zinc/54/31/58/971543158.db2.gz DSHJFXVNKWRTHB-CVEARBPZSA-N 2 0 293.455 1.898 10 0 CDAERP O=C(CC[N@H+]1CC[C@H](F)C1)NCC1CC[NH+](C2CC2)CC1 ZINC001362762310 971598464 /nfs/dbraw/zinc/59/84/64/971598464.db2.gz ZCCQTKYCUUQZGS-AWEZNQCLSA-N 2 0 297.418 1.411 10 0 CDAERP C[NH+](C)C1(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CCCC1 ZINC001362819460 971642365 /nfs/dbraw/zinc/64/23/65/971642365.db2.gz LHXTVNPCHOLALU-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC001362943658 971749122 /nfs/dbraw/zinc/74/91/22/971749122.db2.gz LWXPFYVKFYZHAT-ZIAGYGMSSA-N 2 0 281.444 1.517 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CC[C@@H](F)C2)C1 ZINC001362948284 971752546 /nfs/dbraw/zinc/75/25/46/971752546.db2.gz FPQYWXDKBCTKEQ-CHWSQXEVSA-N 2 0 285.407 1.409 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001569121413 1169669422 /nfs/dbraw/zinc/66/94/22/1169669422.db2.gz ICOIQCRLZMQRLK-AWEZNQCLSA-N 2 0 281.444 1.873 10 0 CDAERP C[C@H](C[N@H+](C)CC1CCC1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001569151725 1169694356 /nfs/dbraw/zinc/69/43/56/1169694356.db2.gz NQWXWKJVKOYZFS-OCCSQVGLSA-N 2 0 267.417 1.175 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](C(C)C)C[C@@H]2C1 ZINC001325778679 954071702 /nfs/dbraw/zinc/07/17/02/954071702.db2.gz JVPGPMJFKDEPOG-OKILXGFUSA-N 2 0 267.417 1.125 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001493232947 971992395 /nfs/dbraw/zinc/99/23/95/971992395.db2.gz HHNUOCOWDBJPKL-YVACAVLKSA-N 2 0 281.444 1.733 10 0 CDAERP OC1CCC(C[NH+]2CCC([NH2+]C3CCOCC3)CC2)CC1 ZINC001364511459 954716187 /nfs/dbraw/zinc/71/61/87/954716187.db2.gz XCHQEALLVYBIJW-UHFFFAOYSA-N 2 0 296.455 1.771 10 0 CDAERP O=C(C[NH+]1CCCC1)NCC[N@H+](CC1CC1)C1CC1 ZINC001493443458 972052189 /nfs/dbraw/zinc/05/21/89/972052189.db2.gz FADJMFUDHQVELP-UHFFFAOYSA-N 2 0 265.401 1.073 10 0 CDAERP C[C@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH2+]CCF ZINC001491579526 955296150 /nfs/dbraw/zinc/29/61/50/955296150.db2.gz MIFZEWHEBNSAAF-BXUZGUMPSA-N 2 0 291.386 1.263 10 0 CDAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1 ZINC001421492967 955372580 /nfs/dbraw/zinc/37/25/80/955372580.db2.gz QTTDFGHDELYGHQ-HOTGVXAUSA-N 2 0 289.423 1.623 10 0 CDAERP CC(C)=CC[NH2+]CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001493741681 972108889 /nfs/dbraw/zinc/10/88/89/972108889.db2.gz HTKICXURJBVQAI-UHFFFAOYSA-N 2 0 281.444 1.733 10 0 CDAERP CCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001492031626 955619906 /nfs/dbraw/zinc/61/99/06/955619906.db2.gz PYWICGOOISTSCZ-KBPBESRZSA-N 2 0 269.433 1.755 10 0 CDAERP CC[NH2+][C@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001492129857 955640095 /nfs/dbraw/zinc/64/00/95/955640095.db2.gz SXAWOFDSSBTPFL-CHWSQXEVSA-N 2 0 255.406 1.365 10 0 CDAERP CCC[NH2+]C1(C)CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001422038933 955712355 /nfs/dbraw/zinc/71/23/55/955712355.db2.gz BYMFILYTSPDLSE-UHFFFAOYSA-N 2 0 281.444 1.851 10 0 CDAERP CN(C)c1cccc(CN2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)n1 ZINC001365336101 955917503 /nfs/dbraw/zinc/91/75/03/955917503.db2.gz TXVAOBFDYFTMSS-CJNGLKHVSA-N 2 0 274.412 1.531 10 0 CDAERP C[NH+]1CCC(C(=O)NC2(C[NH2+]CCF)CCCCC2)CC1 ZINC001329845652 956139117 /nfs/dbraw/zinc/13/91/17/956139117.db2.gz IOOPUMIOANCHQA-UHFFFAOYSA-N 2 0 299.434 1.706 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccccc1Cl)NC(=O)CC[NH+](C)C ZINC001422699169 956269788 /nfs/dbraw/zinc/26/97/88/956269788.db2.gz ZVIVANLYYKCPBR-LBPRGKRZSA-N 2 0 297.830 1.886 10 0 CDAERP CN(CCC[NH2+]Cc1ccon1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001569231197 1169730413 /nfs/dbraw/zinc/73/04/13/1169730413.db2.gz HMHYWWKWYGBJPL-AWEZNQCLSA-N 2 0 294.399 1.097 10 0 CDAERP COCC[N@@H+]1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001422798872 956365158 /nfs/dbraw/zinc/36/51/58/956365158.db2.gz QBRWKSXHZDKIAE-KBPBESRZSA-N 2 0 299.459 1.046 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001365837341 956400540 /nfs/dbraw/zinc/40/05/40/956400540.db2.gz CSCNUHZBSCRLAJ-AVGNSLFASA-N 2 0 273.396 1.171 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2CCC[NH+](CC)[C@H]2C1(C)C ZINC001365877617 956417778 /nfs/dbraw/zinc/41/77/78/956417778.db2.gz SEJHTCKSASWTDW-FVQBIDKESA-N 2 0 295.471 1.953 10 0 CDAERP C[C@@H](C[N@H+](C)CC1CCCC1)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001422881262 956419278 /nfs/dbraw/zinc/41/92/78/956419278.db2.gz WNMYEXKAUTURQT-GJZGRUSLSA-N 2 0 295.471 1.955 10 0 CDAERP Cc1cc(C[NH2+]CCCN(C)C(=O)CC[NH+](C)C)cs1 ZINC001569235928 1169731872 /nfs/dbraw/zinc/73/18/72/1169731872.db2.gz IEJQSTTWIIUMSJ-UHFFFAOYSA-N 2 0 297.468 1.946 10 0 CDAERP CCCCC[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001480680764 956501500 /nfs/dbraw/zinc/50/15/00/956501500.db2.gz YKKRTOZMUUOFKH-OAHLLOKOSA-N 2 0 281.444 1.711 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]CCC1CC1)C1CC1 ZINC001366048143 956532274 /nfs/dbraw/zinc/53/22/74/956532274.db2.gz ZOQSGMOROJYEQD-HZPDHXFCSA-N 2 0 293.455 1.755 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH2+]C/C=C/Cl)C2)C1 ZINC001366097227 956561743 /nfs/dbraw/zinc/56/17/43/956561743.db2.gz DXEPPEDDERBWKJ-MHDDQSTRSA-N 2 0 285.819 1.271 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC ZINC001366136025 956592203 /nfs/dbraw/zinc/59/22/03/956592203.db2.gz VVHVAUMQDXMXLN-JALIKCBVSA-N 2 0 299.434 1.798 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1CCCC1CCC1 ZINC001423111573 956598088 /nfs/dbraw/zinc/59/80/88/956598088.db2.gz LBQHFXJWYGDZSS-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP CC[NH2+][C@H]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001366154279 956606206 /nfs/dbraw/zinc/60/62/06/956606206.db2.gz KYEJEDLFUBMINU-OKILXGFUSA-N 2 0 281.444 1.898 10 0 CDAERP CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1CCCC(C)C)[NH+](C)C ZINC001423129496 956611581 /nfs/dbraw/zinc/61/15/81/956611581.db2.gz OXJWMGZVABAGPV-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001366170216 956617863 /nfs/dbraw/zinc/61/78/63/956617863.db2.gz QYPONFHSJHJDIW-KFWWJZLASA-N 2 0 299.434 1.847 10 0 CDAERP CC[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](C)C ZINC001366236341 956655045 /nfs/dbraw/zinc/65/50/45/956655045.db2.gz WWXZVWNMTCKDAW-MRLBHPIUSA-N 2 0 281.444 1.419 10 0 CDAERP CC(C)[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001330900992 956694883 /nfs/dbraw/zinc/69/48/83/956694883.db2.gz QKGNSLLYTKIABE-ILXRZTDVSA-N 2 0 283.460 2.000 10 0 CDAERP C[C@@H]([NH2+][C@@H](C)CNC(=O)C[NH+]1CCCC1)c1ccccc1 ZINC001366360994 956770386 /nfs/dbraw/zinc/77/03/86/956770386.db2.gz WKQBZUCWAJHCHN-LSDHHAIUSA-N 2 0 289.423 1.938 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCC1CC1 ZINC001366365769 956773646 /nfs/dbraw/zinc/77/36/46/956773646.db2.gz KXNCEGDSMBYLIL-HIFRSBDPSA-N 2 0 281.444 1.755 10 0 CDAERP CCCC[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001366437757 956827559 /nfs/dbraw/zinc/82/75/59/956827559.db2.gz WXCGVPCMAHNXHH-OAHLLOKOSA-N 2 0 281.444 1.805 10 0 CDAERP CC(C)[C@@H](C(=O)NCC[N@H+](C)CC1CC1)[NH+]1CCCC1 ZINC001366598523 957010089 /nfs/dbraw/zinc/01/00/89/957010089.db2.gz WESXKEPJVQZCNI-HNNXBMFYSA-N 2 0 281.444 1.565 10 0 CDAERP CCCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001316791233 957026355 /nfs/dbraw/zinc/02/63/55/957026355.db2.gz FVVJGYFBESJAGX-OLZOCXBDSA-N 2 0 255.406 1.317 10 0 CDAERP CC[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCC1)C[C@@H](C)O ZINC001316896332 957105275 /nfs/dbraw/zinc/10/52/75/957105275.db2.gz HKOFBXFHEXLCBZ-CQSZACIVSA-N 2 0 299.459 1.070 10 0 CDAERP CC[C@@H](C)C[N@H+](CC)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001316909058 957116396 /nfs/dbraw/zinc/11/63/96/957116396.db2.gz LNWWZZPGVDIHBQ-CABCVRRESA-N 2 0 283.460 1.812 10 0 CDAERP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CCC(C)C)C1)[NH+](C)C ZINC001316992079 957188800 /nfs/dbraw/zinc/18/88/00/957188800.db2.gz WRCFEYCKWOOKIZ-KGLIPLIRSA-N 2 0 269.433 1.563 10 0 CDAERP CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001317193466 957336209 /nfs/dbraw/zinc/33/62/09/957336209.db2.gz LVVLCTRKFMHJOQ-KGLIPLIRSA-N 2 0 269.433 1.707 10 0 CDAERP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CC[C@@H](C)F)C1)[NH+](C)C ZINC001367031901 957356530 /nfs/dbraw/zinc/35/65/30/957356530.db2.gz BBFOZXIKVXLMDH-UPJWGTAASA-N 2 0 273.396 1.265 10 0 CDAERP CCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001317260281 957385352 /nfs/dbraw/zinc/38/53/52/957385352.db2.gz PBIXQBCJVVORRG-UONOGXRCSA-N 2 0 269.433 1.611 10 0 CDAERP CCOCCC[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001317263914 957389530 /nfs/dbraw/zinc/38/95/30/957389530.db2.gz IDWXLXOEHOTGSO-ILXRZTDVSA-N 2 0 299.459 1.238 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC=C(C)C)[NH+](C)C ZINC001317503870 957516741 /nfs/dbraw/zinc/51/67/41/957516741.db2.gz UEFYUQSIXRUZTH-LSDHHAIUSA-N 2 0 281.444 1.873 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H](C[NH2+]CC3CCC3)C2)CC1 ZINC001425415198 957529998 /nfs/dbraw/zinc/52/99/98/957529998.db2.gz FWYZOLBWAVYWGX-SHTZXODSSA-N 2 0 293.455 1.613 10 0 CDAERP CC[C@H](C)C[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001317597589 957590397 /nfs/dbraw/zinc/59/03/97/957590397.db2.gz CPMZYOKMZXSYDX-KBPBESRZSA-N 2 0 271.449 1.667 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC2CC2)C(C)(C)C1 ZINC001425979067 957656583 /nfs/dbraw/zinc/65/65/83/957656583.db2.gz UFKCCWKXCLJWKZ-AWEZNQCLSA-N 2 0 281.444 1.563 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001317855115 957697267 /nfs/dbraw/zinc/69/72/67/957697267.db2.gz VARBFIQPYKWASA-OAHLLOKOSA-N 2 0 281.444 1.685 10 0 CDAERP CO[C@@H](C)C[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C(C)(C)C ZINC001426163979 957817077 /nfs/dbraw/zinc/81/70/77/957817077.db2.gz KUHUWGVQWDCESY-KBPBESRZSA-N 2 0 299.459 1.238 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]Cc1ccsc1 ZINC001367234212 957866244 /nfs/dbraw/zinc/86/62/44/957866244.db2.gz NKTDHCNMUHEQHA-TZMCWYRMSA-N 2 0 295.452 1.684 10 0 CDAERP Cc1cncc(C[NH2+]C[C@H](C)CNC(=O)CC[NH+](C)C)c1 ZINC001367268619 957894314 /nfs/dbraw/zinc/89/43/14/957894314.db2.gz JUXQOXAVKDEOHS-AWEZNQCLSA-N 2 0 292.427 1.184 10 0 CDAERP CC[NH2+]CCOCCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001333259257 958193056 /nfs/dbraw/zinc/19/30/56/958193056.db2.gz MLKYDMFTEJKRQN-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH2+]C(C)(C)C)[C@@H](C)C1 ZINC001318688630 958223996 /nfs/dbraw/zinc/22/39/96/958223996.db2.gz LHXOGDRELPYLJS-STQMWFEESA-N 2 0 269.433 1.563 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001319079159 958368026 /nfs/dbraw/zinc/36/80/26/958368026.db2.gz TUGJMAARQWPGPD-HUUCEWRRSA-N 2 0 281.444 1.851 10 0 CDAERP CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CCCF)[NH+](C)C ZINC001319111605 958381660 /nfs/dbraw/zinc/38/16/60/958381660.db2.gz KLJNBLAGQONUPY-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP CCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001367817385 958396736 /nfs/dbraw/zinc/39/67/36/958396736.db2.gz XDABXUSXXDEEAU-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP C[C@H](C[N@H+](C)CCCF)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001367838485 958415800 /nfs/dbraw/zinc/41/58/00/958415800.db2.gz KHHUDILNRASFLU-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP CC(C)C[NH2+]C[C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001319283700 958475787 /nfs/dbraw/zinc/47/57/87/958475787.db2.gz DYLAMBFGOJDYAG-ZDUSSCGKSA-N 2 0 257.422 1.325 10 0 CDAERP CC[N@H+](C)[C@H]1CCN(C(=O)NC[C@@H]2CCCC[NH+](C)C2)C1 ZINC001428352829 958542001 /nfs/dbraw/zinc/54/20/01/958542001.db2.gz HQYIGUDHTVWMAO-GJZGRUSLSA-N 2 0 296.459 1.454 10 0 CDAERP CC(C)CC[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001368022847 958585937 /nfs/dbraw/zinc/58/59/37/958585937.db2.gz NKFSHLHUSMAKJG-CQSZACIVSA-N 2 0 283.460 1.857 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001368059411 958606978 /nfs/dbraw/zinc/60/69/78/958606978.db2.gz BSYRAOBICZYBTB-MRXNPFEDSA-N 2 0 281.444 1.519 10 0 CDAERP COCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001319540801 958619540 /nfs/dbraw/zinc/61/95/40/958619540.db2.gz NPBSSWFQPKJALR-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC1(C)CC[NH+](CCF)CC1 ZINC001368120509 958650822 /nfs/dbraw/zinc/65/08/22/958650822.db2.gz LLUNQWPDFGQACY-AWEZNQCLSA-N 2 0 299.434 1.801 10 0 CDAERP CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001368228279 958716804 /nfs/dbraw/zinc/71/68/04/958716804.db2.gz KTPAXRZBTSOMTE-CZUORRHYSA-N 2 0 292.427 1.827 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N1CCCC[C@H]1CC[NH2+]C[C@H](C)O ZINC001319789829 958725282 /nfs/dbraw/zinc/72/52/82/958725282.db2.gz DLILHGJVCMSVQT-GJZGRUSLSA-N 2 0 299.459 1.068 10 0 CDAERP CC[NH2+][C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C(C)C ZINC001319955162 958813223 /nfs/dbraw/zinc/81/32/23/958813223.db2.gz CJFZJUIFIRCTDG-CHWSQXEVSA-N 2 0 255.406 1.079 10 0 CDAERP CCO[C@H](C[NH2+]C1CCC(C[NH3+])CC1)CN(C)C ZINC001334388195 959073726 /nfs/dbraw/zinc/07/37/26/959073726.db2.gz AELMCVHZTHRARQ-JXQTWKCFSA-N 2 0 257.422 1.060 10 0 CDAERP C[C@@H](CCNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]C/C=C\Cl ZINC001368741026 959094002 /nfs/dbraw/zinc/09/40/02/959094002.db2.gz IMZFTZDFFRVYHX-SRGUYAIJSA-N 2 0 287.835 1.565 10 0 CDAERP CCCC[NH2+]CCN(CC)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001320736498 959361130 /nfs/dbraw/zinc/36/11/30/959361130.db2.gz CFVOCPDEJBJEEL-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C1C[NH+](CC2CCC2)C1)[NH+](C)C ZINC001369155439 959489729 /nfs/dbraw/zinc/48/97/29/959489729.db2.gz MACYHBQKTALZQE-IUODEOHRSA-N 2 0 281.444 1.563 10 0 CDAERP C[N@H+](CCCF)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001369186328 959512084 /nfs/dbraw/zinc/51/20/84/959512084.db2.gz YLTZOZUHFHVWFD-UHFFFAOYSA-N 2 0 285.407 1.365 10 0 CDAERP C([C@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001335191114 959626292 /nfs/dbraw/zinc/62/62/92/959626292.db2.gz ZISQQAGMBRUWSA-RBSFLKMASA-N 2 0 264.413 1.877 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N(C)C1CC([NH2+]CCF)C1 ZINC001369578842 959774355 /nfs/dbraw/zinc/77/43/55/959774355.db2.gz KLUNAGXWZSWFEH-WXRRBKDZSA-N 2 0 291.386 1.215 10 0 CDAERP CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001370299905 960032908 /nfs/dbraw/zinc/03/29/08/960032908.db2.gz DFNKNSSXHNQMDF-HNNXBMFYSA-N 2 0 283.460 1.909 10 0 CDAERP CC(C)C[NH2+]CCC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001495444567 972502722 /nfs/dbraw/zinc/50/27/22/972502722.db2.gz HDOUDLUYOPZBCC-INIZCTEOSA-N 2 0 295.471 1.812 10 0 CDAERP CC(C)[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001371474231 972525325 /nfs/dbraw/zinc/52/53/25/972525325.db2.gz MCKJORSGKVGCHZ-LSDHHAIUSA-N 2 0 283.460 2.000 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+]2CCCCCF)C1 ZINC001323303054 960626661 /nfs/dbraw/zinc/62/66/61/960626661.db2.gz RDMOQUUUPHUSIY-GJZGRUSLSA-N 2 0 299.434 1.659 10 0 CDAERP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C[C@H]21 ZINC001433983781 960844323 /nfs/dbraw/zinc/84/43/23/960844323.db2.gz JWCKYOYFCRXZKO-XPABHHOTSA-N 2 0 279.428 1.125 10 0 CDAERP CO[C@H](C)C[NH2+][C@H]1CCCCCN(C(=O)CC[NH+](C)C)C1 ZINC001418784832 961019736 /nfs/dbraw/zinc/01/97/36/961019736.db2.gz BMPPGLYQFNHOJG-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP CCCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@H+](C[C@H](C)O)C1 ZINC001418877953 961119462 /nfs/dbraw/zinc/11/94/62/961119462.db2.gz VWHVBWRRMAXXCB-GJZGRUSLSA-N 2 0 299.459 1.020 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cccnc1 ZINC001419179817 961474209 /nfs/dbraw/zinc/47/42/09/961474209.db2.gz NKAFOMHNRINJDD-CABCVRRESA-N 2 0 290.411 1.160 10 0 CDAERP CC(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001419336577 961614943 /nfs/dbraw/zinc/61/49/43/961614943.db2.gz LWXNTRGEWZOAPC-GASCZTMLSA-N 2 0 281.444 1.659 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@H]1CCC[N@H+](CCCF)C1 ZINC001419630573 961888846 /nfs/dbraw/zinc/88/88/46/961888846.db2.gz GKGOKRVIGIITTO-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP CN(CC[N@H+](C)Cc1ccsc1)C(=O)[C@H]1CCC[NH+]1C ZINC001419997125 962346089 /nfs/dbraw/zinc/34/60/89/962346089.db2.gz MLUNMSTXVVYCBM-CQSZACIVSA-N 2 0 295.452 1.733 10 0 CDAERP CCC[NH2+][C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001436799290 962426210 /nfs/dbraw/zinc/42/62/10/962426210.db2.gz PIYCEAGIXJRZQQ-HNNXBMFYSA-N 2 0 293.455 1.757 10 0 CDAERP C[C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]C/C=C\Cl ZINC001420069240 962450247 /nfs/dbraw/zinc/45/02/47/962450247.db2.gz ROIIFYKTCSPAFM-HIMAVIEDSA-N 2 0 273.808 1.318 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)Cc1ccsc1 ZINC001420192643 962560968 /nfs/dbraw/zinc/56/09/68/962560968.db2.gz PDRSMXYISGKOTJ-ZDUSSCGKSA-N 2 0 281.425 1.390 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CC1CCC1 ZINC001437125187 962656606 /nfs/dbraw/zinc/65/66/06/962656606.db2.gz BEIDRJPVUPAWCH-IUODEOHRSA-N 2 0 279.428 1.223 10 0 CDAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1ccns1 ZINC001437202274 962731684 /nfs/dbraw/zinc/73/16/84/962731684.db2.gz GKKCRECDKSEYGR-RYUDHWBXSA-N 2 0 296.440 1.079 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1cncc(F)c1 ZINC001420365061 962793625 /nfs/dbraw/zinc/79/36/25/962793625.db2.gz KDXDMIPBFBBFLJ-GFCCVEGCSA-N 2 0 296.390 1.157 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CCC[NH+]2CC2CCC2)C1 ZINC001420493852 962976248 /nfs/dbraw/zinc/97/62/48/962976248.db2.gz MUMGJDQLCWXRPT-JKSUJKDBSA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CN[C@H](C)c1csnn1 ZINC001420518739 963002458 /nfs/dbraw/zinc/00/24/58/963002458.db2.gz RHLPVBOBYFAXHV-WDEREUQCSA-N 2 0 299.444 1.034 10 0 CDAERP CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CC[C@@H](C)F)C1)[NH+](C)C ZINC001420967784 963393301 /nfs/dbraw/zinc/39/33/01/963393301.db2.gz VFFSPLVWLMFEHD-RDBSUJKOSA-N 2 0 287.423 1.655 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2C[NH+](CC3CCCC3)C2)C1 ZINC001421182990 963487774 /nfs/dbraw/zinc/48/77/74/963487774.db2.gz VLADXPPFWAVCNR-HNNXBMFYSA-N 2 0 293.455 1.566 10 0 CDAERP CC(C)CC[NH+]1CC(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001421197381 963497031 /nfs/dbraw/zinc/49/70/31/963497031.db2.gz XOQBAEMFFRIICB-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@]1(C)CC[N@@H+](C(C)C)C1 ZINC001421199998 963497172 /nfs/dbraw/zinc/49/71/72/963497172.db2.gz CIGXFHLAUUSFBD-HIFRSBDPSA-N 2 0 287.423 1.655 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H](C)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001438668205 963519261 /nfs/dbraw/zinc/51/92/61/963519261.db2.gz XZLIJDOLYQMCMU-KBPBESRZSA-N 2 0 299.434 1.799 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]CC1CCCC1 ZINC001438703847 963529941 /nfs/dbraw/zinc/52/99/41/963529941.db2.gz ARJUJVQKVHEMIE-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001421358364 963568822 /nfs/dbraw/zinc/56/88/22/963568822.db2.gz YKKBNVSOXIXXOR-LSDHHAIUSA-N 2 0 283.460 1.907 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccsc1)NC(=O)C1([NH+](C)C)CCC1 ZINC001439216308 963680694 /nfs/dbraw/zinc/68/06/94/963680694.db2.gz UVAYSTLLZDQVRO-LBPRGKRZSA-N 2 0 295.452 1.827 10 0 CDAERP C[C@@H](C[N@H+](C)CC1CC(C)(C)C1)NC(=O)[C@H]1CCC[NH+]1C ZINC001439315089 963716610 /nfs/dbraw/zinc/71/66/10/963716610.db2.gz RXJXXOOZDIQXGZ-DZGCQCFKSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)C[NH+]1CCC2(CCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001439702736 963839714 /nfs/dbraw/zinc/83/97/14/963839714.db2.gz CCKZVHGTQBBHSO-UHFFFAOYSA-N 2 0 295.471 1.909 10 0 CDAERP CC(C)[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001439816550 963867084 /nfs/dbraw/zinc/86/70/84/963867084.db2.gz RVTTZBAXOLEJGM-GJZGRUSLSA-N 2 0 281.444 1.611 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CC[C@H](C)F)C[C@@H]2C1 ZINC001440154607 963935828 /nfs/dbraw/zinc/93/58/28/963935828.db2.gz CPRVHZWEQMWCNJ-SOUVJXGZSA-N 2 0 299.434 1.467 10 0 CDAERP C[C@@H](F)CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCC1 ZINC001440320415 963985411 /nfs/dbraw/zinc/98/54/11/963985411.db2.gz PWOMAPQYUQFKKD-CHWSQXEVSA-N 2 0 285.407 1.457 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001440338302 963992761 /nfs/dbraw/zinc/99/27/61/963992761.db2.gz GRLDRPVJYGBCKF-IHRRRGAJSA-N 2 0 299.434 1.703 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC[C@]2(CC[NH+](CCF)C2)C1 ZINC001440539469 964103935 /nfs/dbraw/zinc/10/39/35/964103935.db2.gz QFEWDMHDMBQXHD-MRXNPFEDSA-N 2 0 299.434 1.612 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(C)C)CC1(C)C ZINC001441260818 964439640 /nfs/dbraw/zinc/43/96/40/964439640.db2.gz LQTJMWGNFFKPBH-CQSZACIVSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)[N@H+](C)C[C@@H](O)CN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001442044467 964842827 /nfs/dbraw/zinc/84/28/27/964842827.db2.gz CELUUFXDNOQNAQ-LSDHHAIUSA-N 2 0 299.459 1.020 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001442909869 965274358 /nfs/dbraw/zinc/27/43/58/965274358.db2.gz SRCVPDLMFUBLNZ-LSDHHAIUSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC001444860264 965978929 /nfs/dbraw/zinc/97/89/29/965978929.db2.gz VSFYMBZGOUMYBK-HUUCEWRRSA-N 2 0 283.460 1.907 10 0 CDAERP CC(C)[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC1CCC1 ZINC001444908236 965999466 /nfs/dbraw/zinc/99/94/66/965999466.db2.gz GZRMKNIZHDUUFQ-ZBFHGGJFSA-N 2 0 295.471 1.859 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001444937755 966014178 /nfs/dbraw/zinc/01/41/78/966014178.db2.gz NEVRZRRTVOFVHL-ZIAGYGMSSA-N 2 0 299.434 1.561 10 0 CDAERP C[NH2+]Cc1cccc(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC001349361560 966327409 /nfs/dbraw/zinc/32/74/09/966327409.db2.gz BVNYTKKUAPRTHG-ZIAGYGMSSA-N 2 0 261.369 1.862 10 0 CDAERP CC1CC(C[N@@H+]2CC[C@@](C)(NC(=O)CC[NH+](C)C)C2)C1 ZINC001446568056 966586779 /nfs/dbraw/zinc/58/67/79/966586779.db2.gz YDBGLCMTWSPIGN-ZBCRRDGASA-N 2 0 281.444 1.565 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[NH+](CC2CC2)C1 ZINC001446664407 966610335 /nfs/dbraw/zinc/61/03/35/966610335.db2.gz PGHYHQPOGOFTPD-RDJZCZTQSA-N 2 0 293.455 1.709 10 0 CDAERP CCC1([NH2+]CCF)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001447426328 966784490 /nfs/dbraw/zinc/78/44/90/966784490.db2.gz XEWWRKZFLVTTQW-CQSZACIVSA-N 2 0 299.434 1.659 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001447762509 966865340 /nfs/dbraw/zinc/86/53/40/966865340.db2.gz WGLSQPSGJNAIIS-HOTGVXAUSA-N 2 0 293.455 1.661 10 0 CDAERP COCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C ZINC001447765303 966866321 /nfs/dbraw/zinc/86/63/21/966866321.db2.gz XWBHECREIPNYTG-HUUCEWRRSA-N 2 0 297.443 1.040 10 0 CDAERP C[C@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H](C)[NH2+]CC1CCC1 ZINC001447908153 966925917 /nfs/dbraw/zinc/92/59/17/966925917.db2.gz SISFPVRSVTYGKS-STQMWFEESA-N 2 0 281.444 1.611 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H](C)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001448707976 967217880 /nfs/dbraw/zinc/21/78/80/967217880.db2.gz NRCWRUFBALCRQR-ZIAGYGMSSA-N 2 0 299.434 1.799 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC001450262072 967664920 /nfs/dbraw/zinc/66/49/20/967664920.db2.gz NRJMANHKTVIQDB-UPJWGTAASA-N 2 0 255.406 1.125 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC001451094009 967893576 /nfs/dbraw/zinc/89/35/76/967893576.db2.gz YSRLHDRLCUDDGS-KGLIPLIRSA-N 2 0 269.433 1.422 10 0 CDAERP C[C@@H](C(=O)N[C@H]1C[NH+](C)CC1(C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001456161300 968880060 /nfs/dbraw/zinc/88/00/60/968880060.db2.gz XFDXALLPEGWFCU-CRWXNKLISA-N 2 0 281.444 1.704 10 0 CDAERP C[C@H]1CN(C(=[NH2+])NC[C@@H](C2CCCCC2)[NH+](C)C)CCO1 ZINC000848987164 969381452 /nfs/dbraw/zinc/38/14/52/969381452.db2.gz RSZQRHGZGUNSJJ-ZFWWWQNUSA-N 2 0 296.459 1.742 10 0 CDAERP C[C@@H]1CN(C(=[NH2+])NCCCCCCC[NH+](C)C)CCO1 ZINC000848998190 969390305 /nfs/dbraw/zinc/39/03/05/969390305.db2.gz BUJUWAJFXOHAMZ-CQSZACIVSA-N 2 0 284.448 1.744 10 0 CDAERP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)CC[NH+]1CC[C@@H](F)C1 ZINC001465464292 969876365 /nfs/dbraw/zinc/87/63/65/969876365.db2.gz RIQDYAGVVRXDHU-HUUCEWRRSA-N 2 0 299.434 1.753 10 0 CDAERP C[NH+](C)CCc1cccc(C(=O)NCC[N@H+](C)C2CC2)c1 ZINC001361685853 970420939 /nfs/dbraw/zinc/42/09/39/970420939.db2.gz DVRDDLAGIMKFKB-UHFFFAOYSA-N 2 0 289.423 1.615 10 0 CDAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C[NH2+]CCCF ZINC001495742860 972616963 /nfs/dbraw/zinc/61/69/63/972616963.db2.gz KAXQTIFVPYPFJY-OLZOCXBDSA-N 2 0 273.396 1.030 10 0 CDAERP CCC[NH2+]C[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001495817471 972648837 /nfs/dbraw/zinc/64/88/37/972648837.db2.gz YRRJUFHRWQCHOK-AWEZNQCLSA-N 2 0 269.433 1.614 10 0 CDAERP CC(C)[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001496432847 972920809 /nfs/dbraw/zinc/92/08/09/972920809.db2.gz ZYQKPZNMBYHOHF-GJZGRUSLSA-N 2 0 281.444 1.707 10 0 CDAERP CC[NH2+][C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)C ZINC001496602922 972985188 /nfs/dbraw/zinc/98/51/88/972985188.db2.gz LJBMXVDIBDBWFP-OLZOCXBDSA-N 2 0 255.406 1.079 10 0 CDAERP CCC[N@@H+](C/C=C\Cl)CCNC(=O)C[NH+]1CCCC1 ZINC001372746011 973107172 /nfs/dbraw/zinc/10/71/72/973107172.db2.gz HHBMDBUMOIKWIA-WAYWQWQTSA-N 2 0 287.835 1.663 10 0 CDAERP CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001497207380 973245118 /nfs/dbraw/zinc/24/51/18/973245118.db2.gz YAXSVXMEIXKFBB-ZFWWWQNUSA-N 2 0 281.444 1.898 10 0 CDAERP C[N@H+](C/C=C/Cl)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001373308243 973357691 /nfs/dbraw/zinc/35/76/91/973357691.db2.gz BAWZWSMUGFMOLZ-DZYGNGBISA-N 2 0 299.846 1.471 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001417858464 973424129 /nfs/dbraw/zinc/42/41/29/973424129.db2.gz XKXAZDFXVPWMTP-SOUVJXGZSA-N 2 0 281.444 1.659 10 0 CDAERP CCCCC[NH2+]C/C=C/CNC(=O)C1CC[NH+](C)CC1 ZINC001497676010 973461703 /nfs/dbraw/zinc/46/17/03/973461703.db2.gz VOUUMVLUFTUSAI-VOTSOKGWSA-N 2 0 281.444 1.780 10 0 CDAERP CC[NH2+][C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001417998683 973522756 /nfs/dbraw/zinc/52/27/56/973522756.db2.gz MMCNPRHAIHYYRG-ZFWWWQNUSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H](C[NH2+]CC[C@@H]1CCCO1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001497883391 973565002 /nfs/dbraw/zinc/56/50/02/973565002.db2.gz KPUZMGFIXPDDKT-ILXRZTDVSA-N 2 0 297.443 1.134 10 0 CDAERP CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001418138287 973605639 /nfs/dbraw/zinc/60/56/39/973605639.db2.gz IOCMSZPCWGYWRE-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP Cc1cc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2C)on1 ZINC001418247599 973695628 /nfs/dbraw/zinc/69/56/28/973695628.db2.gz PKMVQXDVEREKRJ-TZMCWYRMSA-N 2 0 294.399 1.062 10 0 CDAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CCC(F)(F)F ZINC001418274624 973717977 /nfs/dbraw/zinc/71/79/77/973717977.db2.gz IXABNXVFYVQDBA-GHMZBOCLSA-N 2 0 295.349 1.375 10 0 CDAERP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC1CC1 ZINC001418395319 973794292 /nfs/dbraw/zinc/79/42/92/973794292.db2.gz HYQLXIMSCZLCEE-HIFRSBDPSA-N 2 0 281.444 1.754 10 0 CDAERP C[C@H](C[N@H+](C)CC1CCCC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001498365734 973862919 /nfs/dbraw/zinc/86/29/19/973862919.db2.gz DHCOFZGZEXUIJE-CQSZACIVSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)CC[N@H+](C)CCNC(=O)[C@@H]1CCc2cncn2C1 ZINC001418473369 973876902 /nfs/dbraw/zinc/87/69/02/973876902.db2.gz VZKVEKIFQNEYSB-CQSZACIVSA-N 2 0 292.427 1.540 10 0 CDAERP CC(C)C[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001498550104 973979618 /nfs/dbraw/zinc/97/96/18/973979618.db2.gz OPRAKBZGQFPSLV-ZIAGYGMSSA-N 2 0 269.433 1.421 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001374552790 974020866 /nfs/dbraw/zinc/02/08/66/974020866.db2.gz YAJCHUCKXSGULV-GJZGRUSLSA-N 2 0 283.460 1.765 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@@H](C[NH2+]C/C=C\Cl)C2CC2)CCC1 ZINC001498769528 974056287 /nfs/dbraw/zinc/05/62/87/974056287.db2.gz IJPGIUDKOHPPDC-PRUHKGEBSA-N 2 0 299.846 1.708 10 0 CDAERP CCC[N@@H+]1CCC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001499573603 974269240 /nfs/dbraw/zinc/26/92/40/974269240.db2.gz FVOMNZXFFQXWAD-INIZCTEOSA-N 2 0 281.444 1.663 10 0 CDAERP COCC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)[C@@H](C)C1 ZINC001499854589 974314691 /nfs/dbraw/zinc/31/46/91/974314691.db2.gz SXMYWNRULZGQHU-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP CC1(NC(=O)C[NH+]2CCCC2)CC[NH+](CCCF)CC1 ZINC001500007596 974350633 /nfs/dbraw/zinc/35/06/33/974350633.db2.gz VDQZKCQCENODKF-UHFFFAOYSA-N 2 0 285.407 1.413 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001375498741 974405965 /nfs/dbraw/zinc/40/59/65/974405965.db2.gz NBIUTCXQRHCYDS-DGXTUMSLSA-N 2 0 295.471 1.857 10 0 CDAERP CC(C)C[NH2+]C[C@@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001500376663 974429687 /nfs/dbraw/zinc/42/96/87/974429687.db2.gz RCAMVDGTVKVVIB-OAHLLOKOSA-N 2 0 269.433 1.422 10 0 CDAERP CC[C@@H](C(=O)N(C)C1C[NH+](CC2CC(C)(C)C2)C1)[NH+](C)C ZINC001375702312 974458151 /nfs/dbraw/zinc/45/81/51/974458151.db2.gz PHOTZOWDURSHMK-HNNXBMFYSA-N 2 0 295.471 1.905 10 0 CDAERP CC[NH2+]C[C@@]1(C)CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001375876851 974501509 /nfs/dbraw/zinc/50/15/09/974501509.db2.gz CAUYHRFTRFWKBH-MRXNPFEDSA-N 2 0 293.455 1.711 10 0 CDAERP C[C@H]([NH2+]CCF)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001501084032 974530038 /nfs/dbraw/zinc/53/00/38/974530038.db2.gz OZVXUBZOEKBKDB-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]CC1CC1)C1CC1 ZINC001376271455 974618524 /nfs/dbraw/zinc/61/85/24/974618524.db2.gz GPDREFFVXMZGDU-JKSUJKDBSA-N 2 0 293.455 1.755 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](C[NH2+]C(C)C)C1 ZINC001376359309 974639738 /nfs/dbraw/zinc/63/97/38/974639738.db2.gz HELQOMCZVSQHBT-CABCVRRESA-N 2 0 283.460 1.811 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cnc(C)o2)C1 ZINC001376399938 974651796 /nfs/dbraw/zinc/65/17/96/974651796.db2.gz GFDPIUHSVGOQMJ-JOCQHMNTSA-N 2 0 294.399 1.062 10 0 CDAERP Cc1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2)o1 ZINC001376509239 974678635 /nfs/dbraw/zinc/67/86/35/974678635.db2.gz DHRNZZUJJSVSMS-BETUJISGSA-N 2 0 294.399 1.060 10 0 CDAERP CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]CC1CC1)[NH+]1CCCC1 ZINC001376881127 974800919 /nfs/dbraw/zinc/80/09/19/974800919.db2.gz PDANOJBGADLBHB-ZFWWWQNUSA-N 2 0 281.444 1.611 10 0 CDAERP CC[C@@H](F)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001376912788 974815154 /nfs/dbraw/zinc/81/51/54/974815154.db2.gz XHTLTBCYYWLMPO-KGLIPLIRSA-N 2 0 287.423 1.609 10 0 CDAERP CC(C)C[NH2+]CC1CC(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001505502092 974895402 /nfs/dbraw/zinc/89/54/02/974895402.db2.gz WLPIHIJVVVTYGP-UHFFFAOYSA-N 2 0 281.444 1.611 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CC[C@H]1CCCCO1 ZINC001377135649 974899714 /nfs/dbraw/zinc/89/97/14/974899714.db2.gz YUZVNIBSJJPBQB-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001505986151 975073813 /nfs/dbraw/zinc/07/38/13/975073813.db2.gz QRZBBPSAVVEBHT-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)CCCC1CCC1 ZINC001506056729 975103332 /nfs/dbraw/zinc/10/33/32/975103332.db2.gz NSQSJTGHNFISKY-GDBMZVCRSA-N 2 0 295.471 1.955 10 0 CDAERP CC1CC(C[N@H+](C)C[C@H]2CCCN2C(=O)CC[NH+](C)C)C1 ZINC001377664040 975105545 /nfs/dbraw/zinc/10/55/45/975105545.db2.gz QMQJBNFFRMPQLH-UYSNPLJNSA-N 2 0 295.471 1.907 10 0 CDAERP CC[C@H](F)C[NH2+][C@@H](C)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001507117022 975343835 /nfs/dbraw/zinc/34/38/35/975343835.db2.gz IPFLOEXSTXMZQT-STQMWFEESA-N 2 0 287.423 1.513 10 0 CDAERP COC[C@@H](C)[NH2+]CC1(NC(=O)CC[NH+](C)C)CCCCC1 ZINC001378401874 975346003 /nfs/dbraw/zinc/34/60/03/975346003.db2.gz PBFYGYMOJUOGTC-CQSZACIVSA-N 2 0 299.459 1.382 10 0 CDAERP CCC(CC)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001378517271 975372672 /nfs/dbraw/zinc/37/26/72/975372672.db2.gz NGSIMGLIRMBFBY-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]CCF)C1 ZINC001507428354 975468729 /nfs/dbraw/zinc/46/87/29/975468729.db2.gz PGDCUUKUDACJFB-OLZOCXBDSA-N 2 0 273.396 1.171 10 0 CDAERP C[NH+](C)CCCC(=O)N1C[C@@H]([NH2+]CCCF)C(C)(C)C1 ZINC001507442460 975472223 /nfs/dbraw/zinc/47/22/23/975472223.db2.gz HOZHXXZVXDHJBO-CYBMUJFWSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1[NH2+]C/C=C\Cl ZINC001378893397 975533513 /nfs/dbraw/zinc/53/35/13/975533513.db2.gz BEQTWZICGRFKBP-GNXSNYGWSA-N 2 0 299.846 1.661 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001388661462 975542373 /nfs/dbraw/zinc/54/23/73/975542373.db2.gz KYLOCIJTKVZDBR-OAHLLOKOSA-N 2 0 281.444 1.661 10 0 CDAERP CCOCC[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C(C)(C)C ZINC001508024381 975577303 /nfs/dbraw/zinc/57/73/03/975577303.db2.gz FIERIURKUJFVME-CQSZACIVSA-N 2 0 299.459 1.239 10 0 CDAERP CC[C@@H](C)C[NH2+]C1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001508141563 975623068 /nfs/dbraw/zinc/62/30/68/975623068.db2.gz PVIFXKKURPZZCL-WLYUNCDWSA-N 2 0 293.455 1.707 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccn1 ZINC001405343719 975717643 /nfs/dbraw/zinc/71/76/43/975717643.db2.gz LWOXBOTZTUNHQP-ZIAGYGMSSA-N 2 0 290.411 1.018 10 0 CDAERP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1ccc(F)cn1 ZINC001379230979 975722863 /nfs/dbraw/zinc/72/28/63/975722863.db2.gz WDYZWOGUHLPNJC-LBPRGKRZSA-N 2 0 296.390 1.109 10 0 CDAERP Cc1cc(C[NH2+]C[C@@H](C)CNC(=O)CC[NH+](C)C)sn1 ZINC001405704001 975823831 /nfs/dbraw/zinc/82/38/31/975823831.db2.gz ZBLMLMUIMFJSAK-LLVKDONJSA-N 2 0 298.456 1.245 10 0 CDAERP Cc1ncc(C[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C)o1 ZINC001379550718 975921465 /nfs/dbraw/zinc/92/14/65/975921465.db2.gz JKUNRDMSNFJPCJ-BXUZGUMPSA-N 2 0 294.399 1.014 10 0 CDAERP C[NH+](C)CCC(=O)N[C@]12CCC[C@@H]1[N@H+](CCF)CC2 ZINC001379625583 975963966 /nfs/dbraw/zinc/96/39/66/975963966.db2.gz LSOQRQCQVYKITK-JSGCOSHPSA-N 2 0 271.380 1.021 10 0 CDAERP CO[C@H](C)C[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001379729935 976034712 /nfs/dbraw/zinc/03/47/12/976034712.db2.gz LURSVRXFPXWXQZ-ZIAGYGMSSA-N 2 0 299.459 1.332 10 0 CDAERP C[C@@H](C[N@H+](C)CCCF)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001379727525 976038215 /nfs/dbraw/zinc/03/82/15/976038215.db2.gz HQTQDXZRHWYGSW-ZDUSSCGKSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCN(C)C(=O)[C@H](C)Cc1c[nH]cn1 ZINC001406149688 976070462 /nfs/dbraw/zinc/07/04/62/976070462.db2.gz VGEOWMXYFOYSLR-CHWSQXEVSA-N 2 0 298.406 1.727 10 0 CDAERP CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001379918047 976126974 /nfs/dbraw/zinc/12/69/74/976126974.db2.gz MXKKHHHLQDHXKL-GJZGRUSLSA-N 2 0 299.459 1.020 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccsc1 ZINC001390302955 976214550 /nfs/dbraw/zinc/21/45/50/976214550.db2.gz GEVIBKSTLBEEKC-AAEUAGOBSA-N 2 0 281.425 1.437 10 0 CDAERP Cc1ccc(C[NH2+][C@@H](C)CNC(=O)CC[NH+](C)C)c(C)c1 ZINC001399028093 976296127 /nfs/dbraw/zinc/29/61/27/976296127.db2.gz MCMSGJMTFGRHTH-HNNXBMFYSA-N 2 0 291.439 1.849 10 0 CDAERP CC(C)C[NH+]1CC(N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001380258533 976298316 /nfs/dbraw/zinc/29/83/16/976298316.db2.gz QAZOCHNSRHFNHW-UHFFFAOYSA-N 2 0 281.444 1.661 10 0 CDAERP Cc1cccc(C[NH2+][C@@H](C)CNC(=O)CC[NH+](C)C)c1 ZINC001399051122 976313789 /nfs/dbraw/zinc/31/37/89/976313789.db2.gz YQJRAVGYJJWTCZ-AWEZNQCLSA-N 2 0 277.412 1.541 10 0 CDAERP CC[C@@H](C[NH2+]C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1)OC ZINC001380289844 976335907 /nfs/dbraw/zinc/33/59/07/976335907.db2.gz JNIZDVRJLLKCOE-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP Cc1ncoc1C[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001390512434 976343494 /nfs/dbraw/zinc/34/34/94/976343494.db2.gz WHMIWWXVCZIINX-BXUZGUMPSA-N 2 0 296.415 1.164 10 0 CDAERP CC[NH2+]C[C@@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001390584337 976376799 /nfs/dbraw/zinc/37/67/99/976376799.db2.gz DKJVGKYPTAEFSR-QWHCGFSZSA-N 2 0 273.396 1.124 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2F)C1 ZINC001402609144 976393816 /nfs/dbraw/zinc/39/38/16/976393816.db2.gz LHYHQAIZRSUNHG-OKILXGFUSA-N 2 0 293.386 1.514 10 0 CDAERP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+]CCC(C)(C)C ZINC001390708494 976448971 /nfs/dbraw/zinc/44/89/71/976448971.db2.gz XRKJOGKJHJEYEA-CYBMUJFWSA-N 2 0 271.449 1.859 10 0 CDAERP CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+]C[C@H]1CCOC1)[NH+](C)C ZINC001402823299 976500325 /nfs/dbraw/zinc/50/03/25/976500325.db2.gz QGRRSQCJIMMIGA-ZNMIVQPWSA-N 2 0 299.459 1.094 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)CC1CCC1 ZINC001390826705 976545031 /nfs/dbraw/zinc/54/50/31/976545031.db2.gz RBONKQXXEKZASF-HOTGVXAUSA-N 2 0 293.455 1.851 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CC1CCCC1 ZINC001390891771 976591664 /nfs/dbraw/zinc/59/16/64/976591664.db2.gz XFKSTHSRNDHOCX-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CC[NH2+][C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001403003994 976656947 /nfs/dbraw/zinc/65/69/47/976656947.db2.gz JYOBAAPXRDEBLT-BMFZPTHFSA-N 2 0 289.423 1.446 10 0 CDAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1ccccc1 ZINC001381104252 976675788 /nfs/dbraw/zinc/67/57/88/976675788.db2.gz NYMYUESMEJCJJI-GOEBONIOSA-N 2 0 289.423 1.575 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH+](C)CCCF)CC[N@@H+]1C ZINC001403116979 976735120 /nfs/dbraw/zinc/73/51/20/976735120.db2.gz ANONENLCMVJDEZ-MELADBBJSA-N 2 0 287.423 1.513 10 0 CDAERP C[C@@H]1[C@H](C(=O)N(C)CCC[NH+](C)CCC2CC2)CC[N@@H+]1C ZINC001407908278 976827392 /nfs/dbraw/zinc/82/73/92/976827392.db2.gz ZMNOEPFAPZJBLW-GDBMZVCRSA-N 2 0 295.471 1.907 10 0 CDAERP CC[C@@H](F)CN1CC([C@@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001403323738 976880819 /nfs/dbraw/zinc/88/08/19/976880819.db2.gz YHVACFPUQRMINR-TZMCWYRMSA-N 2 0 287.423 1.513 10 0 CDAERP Cc1cc(C[NH2+][C@@H](C)CCNC(=O)[C@@H]2CCC[N@@H+]2C)on1 ZINC001403352784 976906687 /nfs/dbraw/zinc/90/66/87/976906687.db2.gz UORPNKIRINNWJH-FZMZJTMJSA-N 2 0 294.399 1.062 10 0 CDAERP C[C@@H](F)CC[NH+]1CC(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001391506941 976924987 /nfs/dbraw/zinc/92/49/87/976924987.db2.gz ROWNLANNWIONNE-QWHCGFSZSA-N 2 0 285.407 1.124 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001400308203 976979572 /nfs/dbraw/zinc/97/95/72/976979572.db2.gz MRHCPKXZVUGWRH-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C)C1C[NH+](CC2CCCC2)C1)[NH+](C)C ZINC001381804200 977033045 /nfs/dbraw/zinc/03/30/45/977033045.db2.gz JIPIPRAWGIKLBX-BBRMVZONSA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001392121313 977227815 /nfs/dbraw/zinc/22/78/15/977227815.db2.gz KBDHPPPCWIVNDG-CHWSQXEVSA-N 2 0 285.407 1.267 10 0 CDAERP CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]21 ZINC001382326391 977253690 /nfs/dbraw/zinc/25/36/90/977253690.db2.gz GUFNUOYMAMFMBH-HRCADAONSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC001382374934 977265758 /nfs/dbraw/zinc/26/57/58/977265758.db2.gz FGQLXVPCGGKXFH-LSDHHAIUSA-N 2 0 295.471 1.811 10 0 CDAERP CC[C@H](C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)OC ZINC001392588214 977496946 /nfs/dbraw/zinc/49/69/46/977496946.db2.gz VCHQRMQOVPIJIA-ZQDZILKHSA-N 2 0 299.459 1.236 10 0 CDAERP CC[C@@H](C)C[NH+]1CC(N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001393013101 977677391 /nfs/dbraw/zinc/67/73/91/977677391.db2.gz HIYWSPKTPVQSGZ-CYBMUJFWSA-N 2 0 281.444 1.517 10 0 CDAERP CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](F)C[NH+](CC)CC ZINC001393043721 977685007 /nfs/dbraw/zinc/68/50/07/977685007.db2.gz DMLSALLDAVZSDD-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[NH+](CC1CC1)C2 ZINC001393369342 977771760 /nfs/dbraw/zinc/77/17/60/977771760.db2.gz PXISBGJKCSOEMC-JYJNAYRXSA-N 2 0 293.455 1.707 10 0 CDAERP CC(C)CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001393402965 977780828 /nfs/dbraw/zinc/78/08/28/977780828.db2.gz ZBKQPAAJGGMWOC-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)CC[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001393741946 977906020 /nfs/dbraw/zinc/90/60/20/977906020.db2.gz CUJQJHXOHRNGFT-CABCVRRESA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@]12CCC[C@H]1[NH+](CCCF)CC2 ZINC001394683428 978231502 /nfs/dbraw/zinc/23/15/02/978231502.db2.gz FVCHQCNDIATNAE-ZBFHGGJFSA-N 2 0 299.434 1.799 10 0 CDAERP CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC([NH2+]CCCF)C1 ZINC001677403827 1174357422 /nfs/dbraw/zinc/35/74/22/1174357422.db2.gz SZMPUFBFWPCIDG-SLTAFYQDSA-N 2 0 299.434 1.799 10 0 CDAERP CCCC[N@H+](C)[C@H](C)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001570748195 1170268936 /nfs/dbraw/zinc/26/89/36/1170268936.db2.gz UOJFFRNIKITEAI-CHWSQXEVSA-N 2 0 257.422 1.563 10 0 CDAERP CC(C)[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001571324217 1170365568 /nfs/dbraw/zinc/36/55/68/1170365568.db2.gz AIRKVOOPZKQUPH-OLZOCXBDSA-N 2 0 255.406 1.221 10 0 CDAERP COCC[NH2+][C@H]1CN(C(=O)CCCC[NH+](C)C)CC1(C)C ZINC001571565948 1170478478 /nfs/dbraw/zinc/47/84/78/1170478478.db2.gz JKHYIVUGUKKFKS-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP CN(C[C@@H]1CC[N@@H+]1CC1CCC1)C(=O)CC[NH+](C)C ZINC001656089449 1171760881 /nfs/dbraw/zinc/76/08/81/1171760881.db2.gz TVZZUWCQQZOCJO-AWEZNQCLSA-N 2 0 267.417 1.271 10 0 CDAERP C[NH+](C)C[C@]1(O)CCCN(Cc2cccc(F)c2)C1 ZINC000623014981 342484642 /nfs/dbraw/zinc/48/46/42/342484642.db2.gz MOEVVBKUJFDJFX-OAHLLOKOSA-N 2 0 266.360 1.714 10 0 CDAERP CN(CC[NH+](C)C)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000082540041 178089079 /nfs/dbraw/zinc/08/90/79/178089079.db2.gz NURZZWIQHZKDCT-VIFPVBQESA-N 2 0 290.205 1.535 10 0 CDAERP CCOC(=O)CCCCC[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000601325837 342554023 /nfs/dbraw/zinc/55/40/23/342554023.db2.gz GCARXSUUSZKVEM-QWHCGFSZSA-N 2 0 256.390 1.637 10 0 CDAERP C[NH+](C)CCOCC[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000341381545 282108699 /nfs/dbraw/zinc/10/86/99/282108699.db2.gz VDUZJHDIAVTZEF-ARFHVFGLSA-N 2 0 284.444 1.750 10 0 CDAERP C[NH+](C)CC1CC[NH+](CCOC2CCOCC2)CC1 ZINC000625085143 342029857 /nfs/dbraw/zinc/02/98/57/342029857.db2.gz AQQLMVKLPYTKHD-UHFFFAOYSA-N 2 0 270.417 1.456 10 0 CDAERP C[NH+](C)CCOCC[NH2+]C[C@H](O)CC1CCCC1 ZINC000234250757 342043037 /nfs/dbraw/zinc/04/30/37/342043037.db2.gz LQGMTSDCOHGVSP-CQSZACIVSA-N 2 0 258.406 1.095 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)CC(=O)NCC(C)(C)C)[C@H](C)C1 ZINC000625257215 342057978 /nfs/dbraw/zinc/05/79/78/342057978.db2.gz XYKONWNXOMZPPC-KGLIPLIRSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000092954938 342061718 /nfs/dbraw/zinc/06/17/18/342061718.db2.gz NZLDRIODHSUWSH-DZGCQCFKSA-N 2 0 279.428 1.319 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)CC[C@H]2CCCC[NH+]2C)C[N@@H+]1C1CC1 ZINC000354649954 365606158 /nfs/dbraw/zinc/60/61/58/365606158.db2.gz LDUZBZAHKLUATR-QLFBSQMISA-N 2 0 293.455 1.992 10 0 CDAERP C[C@H](CC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)[C@H]1CCC[NH2+]C1 ZINC000248575425 343995167 /nfs/dbraw/zinc/99/51/67/343995167.db2.gz DKWBDNOITTZGQJ-QTVXIADOSA-N 2 0 279.428 1.208 10 0 CDAERP CSCC[C@@H]([NH3+])C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000592958330 342750198 /nfs/dbraw/zinc/75/01/98/342750198.db2.gz CIVKSJIOFPTYMQ-GFCCVEGCSA-N 2 0 291.380 1.286 10 0 CDAERP C[C@@H](CCC(F)(F)F)[NH2+]CC1([NH3+])CCOCC1 ZINC000629389044 361892979 /nfs/dbraw/zinc/89/29/79/361892979.db2.gz ITUYMLIULPSYFH-VIFPVBQESA-N 2 0 254.296 1.815 10 0 CDAERP COC(=O)[C@H]1CCCN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000593728059 342829775 /nfs/dbraw/zinc/82/97/75/342829775.db2.gz XZNMYZJXHMTERK-OAHLLOKOSA-N 2 0 274.364 1.470 10 0 CDAERP COC(=O)C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)[C@@H]1C ZINC000600713342 342243930 /nfs/dbraw/zinc/24/39/30/342243930.db2.gz HUHVKTIZFAHWGV-KSSYENDESA-N 2 0 254.374 1.304 10 0 CDAERP NC(=O)[C@@H]1CCCN1CCC[NH2+][C@@H]1CCCSCC1 ZINC000624086539 342270829 /nfs/dbraw/zinc/27/08/29/342270829.db2.gz KRLXQHZXCAYLDU-OLZOCXBDSA-N 2 0 285.457 1.202 10 0 CDAERP CC[NH+]1CCN(CC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000185166140 539146709 /nfs/dbraw/zinc/14/67/09/539146709.db2.gz QXBLHRPIWXDDEH-UHFFFAOYSA-N 2 0 279.403 1.895 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)C2CC[NH+](C3CC3)CC2)CC[N@@H+]1C ZINC000192596721 539156954 /nfs/dbraw/zinc/15/69/54/539156954.db2.gz DOQZUFHPUQLMNM-CZUORRHYSA-N 2 0 293.455 1.802 10 0 CDAERP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)[C@H]2C[C@H]2C(=O)OC)C1 ZINC000594925584 342973543 /nfs/dbraw/zinc/97/35/43/342973543.db2.gz OKKJHGUWWUXAOL-FDYHWXHSSA-N 2 0 254.374 1.115 10 0 CDAERP CCC(CC)(C[NH3+])C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000250790029 534932018 /nfs/dbraw/zinc/93/20/18/534932018.db2.gz ZANHFLGNNUELJP-OLZOCXBDSA-N 2 0 267.417 1.447 10 0 CDAERP COC(=O)C1(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)CC1 ZINC000595505776 343079973 /nfs/dbraw/zinc/07/99/73/343079973.db2.gz YDUOCBYKLCBYDR-CQSZACIVSA-N 2 0 266.385 1.357 10 0 CDAERP O=C(c1ccc2c(c1)C[NH2+]C2)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000645104929 362118909 /nfs/dbraw/zinc/11/89/09/362118909.db2.gz CWOCFCYPYLIKFH-NVXWUHKLSA-N 2 0 299.418 1.894 10 0 CDAERP O=C(CC[C@@H]1CCC[NH2+]1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000645106769 362119411 /nfs/dbraw/zinc/11/94/11/362119411.db2.gz IFTBLDLJFSAIIX-QLFBSQMISA-N 2 0 279.428 1.509 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000629530790 362160536 /nfs/dbraw/zinc/16/05/36/362160536.db2.gz RFOLZORDACXSHQ-SNVBAGLBSA-N 2 0 257.765 1.622 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000629529929 362161715 /nfs/dbraw/zinc/16/17/15/362161715.db2.gz QRNYBYDXYPLJPD-INIZCTEOSA-N 2 0 262.397 1.833 10 0 CDAERP OCCN1CCCC[C@H]1C[NH2+]Cc1cccc(F)c1F ZINC000562670273 293170341 /nfs/dbraw/zinc/17/03/41/293170341.db2.gz OGXDFDDIPHBVDJ-ZDUSSCGKSA-N 2 0 284.350 1.901 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)Nc1cccc(C[NH3+])c1 ZINC000669508322 482512097 /nfs/dbraw/zinc/51/20/97/482512097.db2.gz FSEJXVRRYDPSCD-CYBMUJFWSA-N 2 0 261.369 1.862 10 0 CDAERP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@H](C)CO ZINC000166942450 136380424 /nfs/dbraw/zinc/38/04/24/136380424.db2.gz PMMQJYWCEBMWLK-CHWSQXEVSA-N 2 0 263.385 1.657 10 0 CDAERP C[C@@H]1CC[C@H](C[NH3+])N(CC(=O)N2CCCC2)[C@@H]1C ZINC000316208423 362293075 /nfs/dbraw/zinc/29/30/75/362293075.db2.gz XUWCMCYHVAWRMY-JHJVBQTASA-N 2 0 253.390 1.057 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000411913705 362295279 /nfs/dbraw/zinc/29/52/79/362295279.db2.gz SJUNOXIZECODRM-GJZGRUSLSA-N 2 0 281.444 1.804 10 0 CDAERP Cc1cc(C)n2c(CN3CC[C@H]([NH3+])C[C@@H]3C)cnc2n1 ZINC000574998938 362314554 /nfs/dbraw/zinc/31/45/54/362314554.db2.gz COAHTXLCIUHLHB-AAEUAGOBSA-N 2 0 273.384 1.658 10 0 CDAERP COC[C@@H](O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000601831689 344263552 /nfs/dbraw/zinc/26/35/52/344263552.db2.gz IZFNVVIJUPVHQP-INIZCTEOSA-N 2 0 284.444 1.582 10 0 CDAERP C[C@@H](C[NH2+]C[C@@H](O)COCc1ccco1)C[NH+]1CCCC1 ZINC000062071842 344331785 /nfs/dbraw/zinc/33/17/85/344331785.db2.gz JWINMNDLNLMRBH-LSDHHAIUSA-N 2 0 296.411 1.479 10 0 CDAERP C[NH2+]CCCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000417932995 529969631 /nfs/dbraw/zinc/96/96/31/529969631.db2.gz DMHAVUZKYVMRMO-HUUCEWRRSA-N 2 0 290.411 1.341 10 0 CDAERP C[C@@H]([NH2+]C(C)(C)CNC(=O)C1C[NH2+]C1)c1ccccc1 ZINC000263261156 362405101 /nfs/dbraw/zinc/40/51/01/362405101.db2.gz GKDFGGZABJQDKB-GFCCVEGCSA-N 2 0 275.396 1.451 10 0 CDAERP C[NH2+]C[C@H]1CCCN1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000417930992 290725375 /nfs/dbraw/zinc/72/53/75/290725375.db2.gz KSXFPEDNJGERIZ-YMAMQOFZSA-N 2 0 296.459 1.500 10 0 CDAERP Cc1nc2ccc(CNC[C@H]3C[NH2+]C[C@@H]3O)cc2s1 ZINC000263265713 362410718 /nfs/dbraw/zinc/41/07/18/362410718.db2.gz ROKMEEZTVASYFG-AAEUAGOBSA-N 2 0 277.393 1.275 10 0 CDAERP CN[C@]1([NH3+])C=CC(O/C=C\[C@]2([NH2+]C)C=CC=CC2)=CC1 ZINC000255003923 362474108 /nfs/dbraw/zinc/47/41/08/362474108.db2.gz GRCLUTCSFVJFGE-UPJGQAATSA-N 2 0 273.380 1.709 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000262258257 344696981 /nfs/dbraw/zinc/69/69/81/344696981.db2.gz FTPGDSPPJWVQOZ-QPSCCSFWSA-N 2 0 281.444 1.741 10 0 CDAERP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)[C@H]1CCCCO1 ZINC000623888794 345616696 /nfs/dbraw/zinc/61/66/96/345616696.db2.gz UXUWTLUBWACSLB-HZPDHXFCSA-N 2 0 283.460 1.561 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000079512368 362645026 /nfs/dbraw/zinc/64/50/26/362645026.db2.gz RORHOQVVCFHZIN-OCCSQVGLSA-N 2 0 255.406 1.221 10 0 CDAERP C[C@@H](C(=O)N[C@@H]1CCC[N@H+](C)C1)[NH+]1CCCCCC1 ZINC000608356866 345734459 /nfs/dbraw/zinc/73/44/59/345734459.db2.gz WYXIBCPKTKRHRF-UONOGXRCSA-N 2 0 267.417 1.461 10 0 CDAERP Fc1ccc(-n2ccc(CN3C[C@@H]4C[NH2+]C[C@H]4C3)n2)cc1 ZINC000608492964 345775454 /nfs/dbraw/zinc/77/54/54/345775454.db2.gz PKPIOZSJTFROCK-STQMWFEESA-N 2 0 286.354 1.663 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)N[C@H]2CCC[NH+](C)C2)CC[N@@H+]1C ZINC000608648140 345805234 /nfs/dbraw/zinc/80/52/34/345805234.db2.gz NPROGMDZKPWTER-RDBSUJKOSA-N 2 0 282.432 1.205 10 0 CDAERP CCN(C(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C)[C@H]1CC[N@H+](C)C1 ZINC000617555933 345851752 /nfs/dbraw/zinc/85/17/52/345851752.db2.gz GIQSRWDXOKXSEA-KBXIAJHMSA-N 2 0 281.444 1.800 10 0 CDAERP C[NH+](C)[C@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)C1CC1 ZINC000623363283 346091051 /nfs/dbraw/zinc/09/10/51/346091051.db2.gz LAMKZTLBNCNUGD-UONOGXRCSA-N 2 0 253.434 1.789 10 0 CDAERP C[C@H]1COCCN1CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623401576 346163093 /nfs/dbraw/zinc/16/30/93/346163093.db2.gz FDUQJOLZQFGBTJ-UONOGXRCSA-N 2 0 269.433 1.170 10 0 CDAERP Cc1noc(CCC[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)n1 ZINC000623405589 346185230 /nfs/dbraw/zinc/18/52/30/346185230.db2.gz PJQUCHXRFCSPLI-GFCCVEGCSA-N 2 0 266.389 1.773 10 0 CDAERP C[N@H+](CCCC[C@@](C)(O)C[NH3+])CCc1ccccn1 ZINC000085304021 179011595 /nfs/dbraw/zinc/01/15/95/179011595.db2.gz OPNJZIMYWSMAGQ-OAHLLOKOSA-N 2 0 265.401 1.436 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000094440133 346249555 /nfs/dbraw/zinc/24/95/55/346249555.db2.gz ULHCNYTURCEJIT-OWCLPIDISA-N 2 0 293.455 1.851 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000085363904 179035424 /nfs/dbraw/zinc/03/54/24/179035424.db2.gz PMANLVYDVDINBP-STQMWFEESA-N 2 0 253.390 1.103 10 0 CDAERP OCC[N@@H+]1CCCC[C@@H]1CN[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000449392833 362688368 /nfs/dbraw/zinc/68/83/68/362688368.db2.gz LERTUSALEWYZOW-ARFHVFGLSA-N 2 0 281.444 1.050 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCN2CCO)[C@H](C)C1 ZINC000449395401 362689683 /nfs/dbraw/zinc/68/96/83/362689683.db2.gz PUHJMDIBKXYWPV-PMPSAXMXSA-N 2 0 283.460 1.153 10 0 CDAERP COc1ccccc1C[NH2+]C[C@@H]1CCCCN1CCO ZINC000449396581 362691630 /nfs/dbraw/zinc/69/16/30/362691630.db2.gz SJGPCJMOFYNISF-HNNXBMFYSA-N 2 0 278.396 1.632 10 0 CDAERP CC(C)OC[C@@H](C)[NH2+]C[C@H]1CCCCN1CCO ZINC000449395903 362692167 /nfs/dbraw/zinc/69/21/67/362692167.db2.gz JYHWUFWWZPUVLK-ZIAGYGMSSA-N 2 0 258.406 1.236 10 0 CDAERP CCC[NH+]1CCC(NC[C@H]2CCCC[N@@H+]2CCO)CC1 ZINC000449388563 362683633 /nfs/dbraw/zinc/68/36/33/362683633.db2.gz ALZNAVCQXQILCC-MRXNPFEDSA-N 2 0 283.460 1.297 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CCOC[C@H]2CCCO2)CC1(C)C ZINC000623420766 346421393 /nfs/dbraw/zinc/42/13/93/346421393.db2.gz OCJSRUOAISWTTO-ZIAGYGMSSA-N 2 0 270.417 1.644 10 0 CDAERP CN1CCC[C@H]([NH+]2CCC(C[NH+]3CCCC3)CC2)C1=O ZINC000539803144 282479254 /nfs/dbraw/zinc/47/92/54/282479254.db2.gz KZPOLOFQMKOWBV-HNNXBMFYSA-N 2 0 279.428 1.415 10 0 CDAERP CCCc1nc2c(n1CCC[NH+](C)C)CC[NH2+]C2 ZINC000085569036 179096407 /nfs/dbraw/zinc/09/64/07/179096407.db2.gz OOHDDJJINJKSLE-UHFFFAOYSA-N 2 0 250.390 1.433 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1Cn1c2c(nc1C1CC1)C[NH2+]CC2 ZINC000085572826 179097940 /nfs/dbraw/zinc/09/79/40/179097940.db2.gz ZJBRZVGMCFKECP-CYBMUJFWSA-N 2 0 274.412 1.891 10 0 CDAERP CCCc1nc2c(n1CCC[NH+]1CCCC1)CC[NH2+]C2 ZINC000085572293 179097330 /nfs/dbraw/zinc/09/73/30/179097330.db2.gz QJDAYRIMVYGPND-UHFFFAOYSA-N 2 0 276.428 1.967 10 0 CDAERP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000635927770 362761539 /nfs/dbraw/zinc/76/15/39/362761539.db2.gz UFHOXYPOMHGHCL-JLNYLFASSA-N 2 0 288.395 1.598 10 0 CDAERP C[NH+](C)C(C)(C)Cn1c2c(nc1C(F)(F)F)C[NH2+]CC2 ZINC000085574104 179099472 /nfs/dbraw/zinc/09/94/72/179099472.db2.gz AJFNFLCWOAEEOQ-UHFFFAOYSA-N 2 0 290.333 1.888 10 0 CDAERP CCc1nnc([C@@H](C)N[C@@H]2CC[N@H+](C)C(C)(C)C2)[nH]1 ZINC000623476783 347417339 /nfs/dbraw/zinc/41/73/39/347417339.db2.gz PAEMMQRFEXGPAI-GHMZBOCLSA-N 2 0 265.405 1.891 10 0 CDAERP C[N@@H+]1CC[C@@H](CN2CC[NH2+][C@](C)(c3ccccc3)C2)C1 ZINC000086141875 179236748 /nfs/dbraw/zinc/23/67/48/179236748.db2.gz YRDFJKKNRFHODX-WBVHZDCISA-N 2 0 273.424 1.759 10 0 CDAERP C[NH+]1CCC(C[N@@H+]2CCN[C@@H](C(C)(C)C)C2)CC1 ZINC000086145655 179237402 /nfs/dbraw/zinc/23/74/02/179237402.db2.gz BESMMUZAWOPYHJ-CQSZACIVSA-N 2 0 253.434 1.648 10 0 CDAERP CC[N@@H+]1CCC[C@H](N2CC[NH2+][C@@](C)(C3CC3)C2)C1 ZINC000086143101 179237423 /nfs/dbraw/zinc/23/74/23/179237423.db2.gz XZSGDCDQUIJWEP-LSDHHAIUSA-N 2 0 251.418 1.545 10 0 CDAERP C[C@H]1C[NH2+][C@H](Cc2ccccc2)CN1C1CC[NH+](C)CC1 ZINC000086153971 179241577 /nfs/dbraw/zinc/24/15/77/179241577.db2.gz DCHBQMTZJZGEOE-DOTOQJQBSA-N 2 0 287.451 1.986 10 0 CDAERP CC[C@H]1C[NH2+][C@H](C(C)C)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086173828 179245099 /nfs/dbraw/zinc/24/50/99/179245099.db2.gz QAXYQKLBUMHCNA-IMJJTQAJSA-N 2 0 265.445 1.932 10 0 CDAERP CCC[NH+]1CCC(N2CC[NH2+]C[C@@H]2C(C)C)CC1 ZINC000086177461 179246625 /nfs/dbraw/zinc/24/66/25/179246625.db2.gz DZMUBKZGXUYMKH-OAHLLOKOSA-N 2 0 253.434 1.791 10 0 CDAERP CCC1(CC)CN([C@H]2CC[N@@H+](C3CC3)C2)CC[NH2+]1 ZINC000086145998 179238858 /nfs/dbraw/zinc/23/88/58/179238858.db2.gz RNPHYSXBXHPPKJ-AWEZNQCLSA-N 2 0 251.418 1.687 10 0 CDAERP CC[C@@H]1C[NH2+][C@H](C2CC2)CN1C[C@@H]1CC[N@H+](CC)C1 ZINC000086223028 179251008 /nfs/dbraw/zinc/25/10/08/179251008.db2.gz KBWYTIGPKDESSP-BMFZPTHFSA-N 2 0 265.445 1.791 10 0 CDAERP COC[C@](C)(O)CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623535846 347620190 /nfs/dbraw/zinc/62/01/90/347620190.db2.gz GWQJPIXJJBBFSQ-GXTWGEPZSA-N 2 0 258.406 1.236 10 0 CDAERP CN[C@]1([NH3+])C=CC(O/C=C/[C@]2([NH2+]C)C=CC=CC2)=CC1 ZINC000222112260 348744608 /nfs/dbraw/zinc/74/46/08/348744608.db2.gz GRCLUTCSFVJFGE-YYZTVXDQSA-N 2 0 273.380 1.709 10 0 CDAERP CC[C@H](C(N)=O)[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000057924467 348851505 /nfs/dbraw/zinc/85/15/05/348851505.db2.gz AWQUBEMNMINGGP-CYBMUJFWSA-N 2 0 255.406 1.304 10 0 CDAERP CCC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000104422831 185996830 /nfs/dbraw/zinc/99/68/30/185996830.db2.gz BFFWVHUBCQRDNZ-LBPRGKRZSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@@H](NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)[C@H](C)[NH3+] ZINC000641943241 365996630 /nfs/dbraw/zinc/99/66/30/365996630.db2.gz MBQBWTCXOQAXBA-BFHYXJOUSA-N 2 0 282.432 1.382 10 0 CDAERP CC[C@@H]([NH3+])CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000641944002 366000199 /nfs/dbraw/zinc/00/01/99/366000199.db2.gz UGPRYRBPZSMPNN-MCIONIFRSA-N 2 0 282.432 1.380 10 0 CDAERP CO[C@H]1C[C@@H](C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)C1 ZINC000629553659 362981087 /nfs/dbraw/zinc/98/10/87/362981087.db2.gz CMACZISZXJMCSU-VHRBIJSZSA-N 2 0 263.385 1.924 10 0 CDAERP Cc1ccc(CC[C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)o1 ZINC000629565957 363010802 /nfs/dbraw/zinc/01/08/02/363010802.db2.gz RCYWGKHAYLCLTC-UKRRQHHQSA-N 2 0 280.412 1.955 10 0 CDAERP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2C[C@H](C(N)=O)C2)CC1 ZINC000624130457 351432819 /nfs/dbraw/zinc/43/28/19/351432819.db2.gz OGDJBDWBJCPIJP-XOUADPBQSA-N 2 0 293.455 1.883 10 0 CDAERP CC[NH+](CC)CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000175101217 366027168 /nfs/dbraw/zinc/02/71/68/366027168.db2.gz GQKWXIKOQGXSLZ-CHWSQXEVSA-N 2 0 255.406 1.269 10 0 CDAERP c1ccc(C[N@@H+]2CC[C@H](N3C[C@H]4C[NH2+]C[C@@H]4C3)C2)cc1 ZINC000250646995 366081556 /nfs/dbraw/zinc/08/15/56/366081556.db2.gz MBWKARUJRMOLOW-ZACQAIPSSA-N 2 0 271.408 1.412 10 0 CDAERP Cc1cc(NC(=O)CC[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)no1 ZINC000292241515 198213833 /nfs/dbraw/zinc/21/38/33/198213833.db2.gz WSWGFGZYKOEFDO-HNNXBMFYSA-N 2 0 292.383 1.339 10 0 CDAERP CC(C)[NH2+]CCCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000569918948 363208546 /nfs/dbraw/zinc/20/85/46/363208546.db2.gz ZHDBIPNBOLJISG-ZNMIVQPWSA-N 2 0 253.434 1.837 10 0 CDAERP C[C@@H](CNC(=O)N[C@@H]1CCCC[NH2+]C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000333936179 363239127 /nfs/dbraw/zinc/23/91/27/363239127.db2.gz KEPKBVRSLSOIDO-QLFBSQMISA-N 2 0 296.459 1.548 10 0 CDAERP CCC1([NH+]2CCOCC2)CCN(C[C@@H]([NH3+])CC(C)C)CC1 ZINC000629661831 363317490 /nfs/dbraw/zinc/31/74/90/363317490.db2.gz DQCXYMPICCYXMB-INIZCTEOSA-N 2 0 297.487 1.937 10 0 CDAERP Cc1cc(C2([NH2+]C[C@H]3CC[NH2+][C@H](C)C3)CCOCC2)on1 ZINC000629672450 363340151 /nfs/dbraw/zinc/34/01/51/363340151.db2.gz OJXYIZVGZRPHCC-OCCSQVGLSA-N 2 0 293.411 1.966 10 0 CDAERP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)[C@H]1C ZINC000644537274 366154874 /nfs/dbraw/zinc/15/48/74/366154874.db2.gz YMRKPOAHXFTXSQ-CTASWTNQSA-N 2 0 265.445 1.789 10 0 CDAERP C[N@@H+]1CC[C@@H](NC(=O)NCCC[NH3+])[C@H]1c1ccccc1 ZINC000417945230 283051070 /nfs/dbraw/zinc/05/10/70/283051070.db2.gz QLEIQEMFLAPLPC-ZIAGYGMSSA-N 2 0 276.384 1.080 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)CC[NH2+]1 ZINC000235718739 291042853 /nfs/dbraw/zinc/04/28/53/291042853.db2.gz NQSWAVBJAVWVNF-XUXIUFHCSA-N 2 0 265.401 1.070 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)CCO)[C@H]2CCC[C@H]21 ZINC000375860264 283133940 /nfs/dbraw/zinc/13/39/40/283133940.db2.gz HMJHWYOTZGIKAB-HZSPNIEDSA-N 2 0 254.418 1.857 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2(C)OCCO2)[C@@H]2CCC[C@H]21 ZINC000368610527 283134234 /nfs/dbraw/zinc/13/42/34/283134234.db2.gz ALASMYOKKDUGTF-RWMBFGLXSA-N 2 0 254.374 1.212 10 0 CDAERP CCOc1cccc(C[NH2+]CCC[NH2+]CCO)c1 ZINC000013732693 356355352 /nfs/dbraw/zinc/35/53/52/356355352.db2.gz OIZBONKCTIWSDK-UHFFFAOYSA-N 2 0 252.358 1.147 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000418196646 283183667 /nfs/dbraw/zinc/18/36/67/283183667.db2.gz DNNKWTINNOTIMD-MELADBBJSA-N 2 0 284.448 1.404 10 0 CDAERP CO[C@H](C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)[C@@H]1CCOC1 ZINC000659956873 412635856 /nfs/dbraw/zinc/63/58/56/412635856.db2.gz OEMYVTWQODOHJI-BRWVUGGUSA-N 2 0 296.455 1.846 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)CC1CC1 ZINC001660581393 1172236268 /nfs/dbraw/zinc/23/62/68/1172236268.db2.gz BJHIWBHNPODEPF-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@H+](CCC(=O)OC)Cc1ccnn1-c1cc[nH+]cc1 ZINC000596991352 358676467 /nfs/dbraw/zinc/67/64/67/358676467.db2.gz JAMYAOHSQZNXSB-UHFFFAOYSA-N 2 0 288.351 1.652 10 0 CDAERP C[NH+](C)CC1CCN(C(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000054291791 358710680 /nfs/dbraw/zinc/71/06/80/358710680.db2.gz ZGLXJAPXLZMQAV-CQSZACIVSA-N 2 0 267.417 1.176 10 0 CDAERP COc1cc(C)nc(CN2CC[NH2+]C[C@H]2c2ccncc2)c1 ZINC000261995888 359118137 /nfs/dbraw/zinc/11/81/37/359118137.db2.gz KTYLQPNHAILGBC-KRWDZBQOSA-N 2 0 298.390 1.940 10 0 CDAERP C[NH2+]CCC(=O)N[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000262028714 359124147 /nfs/dbraw/zinc/12/41/47/359124147.db2.gz BGLDLZCPAVBSCU-GFCCVEGCSA-N 2 0 286.379 1.967 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1)N(C)C1CC1 ZINC000262047182 359130321 /nfs/dbraw/zinc/13/03/21/359130321.db2.gz ZERPRJISWSEINX-BVUBDWEXSA-N 2 0 281.444 1.216 10 0 CDAERP Fc1cccc(F)c1N1CC[C@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC000335252466 359135472 /nfs/dbraw/zinc/13/54/72/359135472.db2.gz QIAGWGUOGJQELN-LBPRGKRZSA-N 2 0 281.350 1.885 10 0 CDAERP CCC[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309704156 359300289 /nfs/dbraw/zinc/30/02/89/359300289.db2.gz HDCMHBSJVJABFG-HZPDHXFCSA-N 2 0 289.423 1.752 10 0 CDAERP C[NH+](C)CCOc1ccccc1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000237185447 359391844 /nfs/dbraw/zinc/39/18/44/359391844.db2.gz DKVPINZGQUVRPB-CQSZACIVSA-N 2 0 291.395 1.094 10 0 CDAERP C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000347714366 359542906 /nfs/dbraw/zinc/54/29/06/359542906.db2.gz DSOUSSWJHSMGIB-CZUORRHYSA-N 2 0 261.413 1.788 10 0 CDAERP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000335536787 291191829 /nfs/dbraw/zinc/19/18/29/291191829.db2.gz SAFLKYUJPFAKGA-BXUZGUMPSA-N 2 0 265.401 1.118 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCOc1ccc(F)cc1 ZINC000422945354 359691554 /nfs/dbraw/zinc/69/15/54/359691554.db2.gz UEVKFDNEHNQWOU-ZDUSSCGKSA-N 2 0 270.348 1.548 10 0 CDAERP C[C@H]([NH2+]CCN(C)Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400380796 299296381 /nfs/dbraw/zinc/29/63/81/299296381.db2.gz KEAXFZPHHJDQNK-HOCLYGCPSA-N 2 0 261.413 1.706 10 0 CDAERP Cc1ccn(-c2ccccc2C[NH2+][C@@H](C)C2C[NH2+]C2)n1 ZINC000422995179 359704955 /nfs/dbraw/zinc/70/49/55/359704955.db2.gz XHDJGNWRGWAHNH-ZDUSSCGKSA-N 2 0 270.380 1.878 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1cccc2c1OCCCO2 ZINC000422986650 359700289 /nfs/dbraw/zinc/70/02/89/359700289.db2.gz DBFMMWUHHVOWCZ-AWEZNQCLSA-N 2 0 294.395 1.691 10 0 CDAERP COc1cccc(CC[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])n1 ZINC000423006359 359735929 /nfs/dbraw/zinc/73/59/29/359735929.db2.gz OIRTZMZCTOLOLP-UONOGXRCSA-N 2 0 263.385 1.882 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CC1([C@H](O)C(C)C)CC1 ZINC000423013923 359741250 /nfs/dbraw/zinc/74/12/50/359741250.db2.gz GWRARPOFCNMAAB-QWHCGFSZSA-N 2 0 258.406 1.127 10 0 CDAERP CO[C@H](CC[NH2+][C@H]1CC[NH2+]CC[C@H]1C)C(F)(F)F ZINC000423076353 359747920 /nfs/dbraw/zinc/74/79/20/359747920.db2.gz YTRBGMROJIMYMJ-OUAUKWLOSA-N 2 0 268.323 1.932 10 0 CDAERP C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000423408447 359772943 /nfs/dbraw/zinc/77/29/43/359772943.db2.gz XMRXFIKDYJXOKE-GZBFAFLISA-N 2 0 275.396 1.991 10 0 CDAERP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000335485112 283489703 /nfs/dbraw/zinc/48/97/03/283489703.db2.gz GWYYYTUJWLQQKR-DZGCQCFKSA-N 2 0 288.395 1.006 10 0 CDAERP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000348113639 359842307 /nfs/dbraw/zinc/84/23/07/359842307.db2.gz RWSQMDYAPOYAMN-ZNMIVQPWSA-N 2 0 295.471 1.988 10 0 CDAERP CCC[NH+]1CCC([N@H+](C)C[C@@H](O)CC2(O)CCC2)CC1 ZINC000528398407 359928070 /nfs/dbraw/zinc/92/80/70/359928070.db2.gz SOZDCWXCEMPVIO-HNNXBMFYSA-N 2 0 284.444 1.459 10 0 CDAERP COC(C)(C)CC[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000336845207 359914837 /nfs/dbraw/zinc/91/48/37/359914837.db2.gz XYFPSMQJDXUPLG-INIZCTEOSA-N 2 0 297.487 1.903 10 0 CDAERP C[NH+]1CCC(NC(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC000298003252 200316396 /nfs/dbraw/zinc/31/63/96/200316396.db2.gz ZVUSMUKMLOHAJK-UHFFFAOYSA-N 2 0 287.367 1.228 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)c2cccnc2)[C@H](C)C1 ZINC000348239602 359968413 /nfs/dbraw/zinc/96/84/13/359968413.db2.gz BMFUZQZGFPBRPQ-BMFZPTHFSA-N 2 0 277.412 1.477 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000094447182 360097936 /nfs/dbraw/zinc/09/79/36/360097936.db2.gz GIHQQIQUKFQWPL-HZSPNIEDSA-N 2 0 265.401 1.214 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCC([NH3+])CC1 ZINC000335380418 360130644 /nfs/dbraw/zinc/13/06/44/360130644.db2.gz LJBRDMMWYABMQT-ZDUSSCGKSA-N 2 0 253.390 1.201 10 0 CDAERP CC[N@@H+]1C[C@H](C)N(C(=O)[C@H]2CCc3nc[nH]c3C2)C[C@@H]1C ZINC000613147634 360515203 /nfs/dbraw/zinc/51/52/03/360515203.db2.gz FDVNJSKEJNQEIC-AVGNSLFASA-N 2 0 290.411 1.456 10 0 CDAERP C([C@@H]1CCN(CC23CC(C2)C[NH2+]3)C1)[NH+]1CCCCC1 ZINC000634992798 360625697 /nfs/dbraw/zinc/62/56/97/360625697.db2.gz BEEFYJJEFWALHT-FHERZECASA-N 2 0 263.429 1.546 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000626947221 360685252 /nfs/dbraw/zinc/68/52/52/360685252.db2.gz PIEMLTRBJJUKQM-HZSPNIEDSA-N 2 0 296.459 1.547 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)NC(C)(C)CCC[NH+](C)C ZINC000418696281 296026082 /nfs/dbraw/zinc/02/60/82/296026082.db2.gz KPPAPOASQXCBJD-MNOVXSKESA-N 2 0 258.410 1.142 10 0 CDAERP CNC(=O)c1cccc(CN2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000335859150 360988635 /nfs/dbraw/zinc/98/86/35/360988635.db2.gz FVGFYUCUSLFDBX-KRWDZBQOSA-N 2 0 287.407 1.574 10 0 CDAERP C[N@@H+]1CC[C@H](N[C@@H]2CCC[NH2+]CC2)[C@@H]2CCC[C@H]21 ZINC000643522268 361014546 /nfs/dbraw/zinc/01/45/46/361014546.db2.gz KSMVUWHACJKEBI-CBBWQLFWSA-N 2 0 251.418 1.591 10 0 CDAERP COC(=O)[C@@H](C1CC1)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339439964 361508982 /nfs/dbraw/zinc/50/89/82/361508982.db2.gz VBWYCLLDTIYNHW-UKRRQHHQSA-N 2 0 266.385 1.356 10 0 CDAERP C[C@H](C[NH3+])CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000417950060 361604036 /nfs/dbraw/zinc/60/40/36/361604036.db2.gz VOGPYGVGHAVVKA-SNPRPXQTSA-N 2 0 290.411 1.326 10 0 CDAERP Cc1nccc(CN2CC[C@H](C[NH+]3CCCC3)C2)n1 ZINC000366481716 361731956 /nfs/dbraw/zinc/73/19/56/361731956.db2.gz SPOUTJKFLREOKI-CQSZACIVSA-N 2 0 260.385 1.703 10 0 CDAERP CN(C)c1ccncc1C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000623754426 363860286 /nfs/dbraw/zinc/86/02/86/363860286.db2.gz OHXBTHFMYYTTRI-DZGCQCFKSA-N 2 0 261.369 1.805 10 0 CDAERP CNC(=O)c1ccc(CN2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000336621410 363879015 /nfs/dbraw/zinc/87/90/15/363879015.db2.gz VCWYMYWVYTXJTI-LSDHHAIUSA-N 2 0 273.380 1.230 10 0 CDAERP Cc1nn(C(C)C)cc1CNCCC[NH+]1CCC1 ZINC000566472752 370743414 /nfs/dbraw/zinc/74/34/14/370743414.db2.gz ADQGHPXGYWCRNN-UHFFFAOYSA-N 2 0 250.390 1.958 10 0 CDAERP COCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001661006450 1172316578 /nfs/dbraw/zinc/31/65/78/1172316578.db2.gz AKEICUKKNFHBLN-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP OCC[N@@H+]1CCCC[C@H]1CNC1CC[NH+](C2CC2)CC1 ZINC000459568460 364253165 /nfs/dbraw/zinc/25/31/65/364253165.db2.gz KPTXHHUTBHZNMF-INIZCTEOSA-N 2 0 281.444 1.050 10 0 CDAERP C[C@H]([NH3+])CCC(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000248885333 364338996 /nfs/dbraw/zinc/33/89/96/364338996.db2.gz ULEAHQPFBFMOEK-IHRRRGAJSA-N 2 0 269.433 1.598 10 0 CDAERP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000167777642 364360523 /nfs/dbraw/zinc/36/05/23/364360523.db2.gz YVHPUZDAZYVSBX-KKUMJFAQSA-N 2 0 281.444 1.837 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)N2CC[C@H]([NH+](C)C)C2)CC1 ZINC000170862647 364408860 /nfs/dbraw/zinc/40/88/60/364408860.db2.gz DPKLDVMKSZLHFL-AWEZNQCLSA-N 2 0 282.432 1.205 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCN1CCCN(c2cccnn2)CC1 ZINC000163121803 364689871 /nfs/dbraw/zinc/68/98/71/364689871.db2.gz JLEINOAFQRLFGZ-OAHLLOKOSA-N 2 0 289.427 1.473 10 0 CDAERP C[NH2+]CCCC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000563959051 364786250 /nfs/dbraw/zinc/78/62/50/364786250.db2.gz CZXAQGZOXJNWAH-CQSZACIVSA-N 2 0 261.369 1.071 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H]1CC[NH+](C)[C@@H]2CCC[C@@H]21 ZINC000353391605 365179752 /nfs/dbraw/zinc/17/97/52/365179752.db2.gz DDGQAYWEHKUTTM-FYNNLBNCSA-N 2 0 277.456 1.932 10 0 CDAERP COCC[N@@H+]1CC[C@@H](NC(=O)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000353438843 365207896 /nfs/dbraw/zinc/20/78/96/365207896.db2.gz CJMGDGLTIVFCSV-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP Cc1nnc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)s1 ZINC000353563960 365300273 /nfs/dbraw/zinc/30/02/73/365300273.db2.gz GUMRANOOQAUFFX-UPJWGTAASA-N 2 0 280.441 1.851 10 0 CDAERP C[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)[C@@H]1C[C@H]1C ZINC000414182737 241102891 /nfs/dbraw/zinc/10/28/91/241102891.db2.gz DILFSCHXLZMNRS-BZUAXINKSA-N 2 0 295.471 1.417 10 0 CDAERP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)Cc1ccn(C(C)C)n1 ZINC000414799446 241394703 /nfs/dbraw/zinc/39/47/03/241394703.db2.gz RIJNZGSHWAMFSU-OCCSQVGLSA-N 2 0 252.406 1.968 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000626966533 367101188 /nfs/dbraw/zinc/10/11/88/367101188.db2.gz WRZIXLCFNQEVEF-RWMBFGLXSA-N 2 0 270.421 1.156 10 0 CDAERP C[C@H]1CC[C@H](NC(=O)NCC2CC[NH+](C3CC3)CC2)C[NH2+]1 ZINC000627020165 367243887 /nfs/dbraw/zinc/24/38/87/367243887.db2.gz AUNAQGIAHNYLDL-JSGCOSHPSA-N 2 0 294.443 1.301 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCCC[N@H+](C)C1CC1 ZINC000627056415 367314751 /nfs/dbraw/zinc/31/47/51/367314751.db2.gz ASWGWMVSWYHKHP-UONOGXRCSA-N 2 0 282.432 1.301 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2CC[NH2+][C@H]2C)cc1 ZINC000627079455 367375819 /nfs/dbraw/zinc/37/58/19/367375819.db2.gz IKTUSTRLSRGROD-COPLHBTASA-N 2 0 276.384 1.256 10 0 CDAERP CCC([NH3+])(CC)CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627079177 367376765 /nfs/dbraw/zinc/37/67/65/367376765.db2.gz GWASHKUHRBREHS-OKILXGFUSA-N 2 0 282.432 1.145 10 0 CDAERP C[C@@H]1C[NH2+]CCN1C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000416434032 242003339 /nfs/dbraw/zinc/00/33/39/242003339.db2.gz SBUKRESIMKEAQR-VXGBXAGGSA-N 2 0 296.440 1.354 10 0 CDAERP C(C[C@@H]1CCO1)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000637988042 367564662 /nfs/dbraw/zinc/56/46/62/367564662.db2.gz NMVWQTPZAIVCAP-QGZVFWFLSA-N 2 0 296.455 1.990 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000416839609 242180629 /nfs/dbraw/zinc/18/06/29/242180629.db2.gz KDSWWPONCAQJNY-MJVIPROJSA-N 2 0 296.390 1.463 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000417392156 242451908 /nfs/dbraw/zinc/45/19/08/242451908.db2.gz ORJRGFHBNXCPBG-CABCVRRESA-N 2 0 294.443 1.112 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)C[NH2+]1 ZINC000627199031 367689630 /nfs/dbraw/zinc/68/96/30/367689630.db2.gz QCQLQRWDZCGFIV-RDBSUJKOSA-N 2 0 282.432 1.110 10 0 CDAERP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H](O)CC1(O)CCC1)C2 ZINC000528520551 367815394 /nfs/dbraw/zinc/81/53/94/367815394.db2.gz XYLTWJLHZCHGLB-GJZGRUSLSA-N 2 0 282.428 1.070 10 0 CDAERP CC1=CC[N@H+](CCNC(=O)N(C)CC[NH+]2CCCC2)CC1 ZINC000358674349 367865675 /nfs/dbraw/zinc/86/56/75/367865675.db2.gz ZEDQJANTGHFTJV-UHFFFAOYSA-N 2 0 294.443 1.376 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)COC(C)C)[C@@H](C)C1 ZINC000305144819 370891975 /nfs/dbraw/zinc/89/19/75/370891975.db2.gz NEFXZOOVFDWVEG-KKUMJFAQSA-N 2 0 272.433 1.434 10 0 CDAERP CN(CC(C)(C)C[NH3+])C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000418121769 242677059 /nfs/dbraw/zinc/67/70/59/242677059.db2.gz DPANTYSHERCHEZ-UHFFFAOYSA-N 2 0 296.459 1.630 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N2CC[C@@H]([NH2+]C)C2)CC1 ZINC000417750374 242640231 /nfs/dbraw/zinc/64/02/31/242640231.db2.gz NDPSIVRWSCDDIB-CQSZACIVSA-N 2 0 282.432 1.112 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CCCC12CC2)N1CC[NH+](C)CC1 ZINC000576410146 317134725 /nfs/dbraw/zinc/13/47/25/317134725.db2.gz GXBZGACKHKDPGV-ZIAGYGMSSA-N 2 0 251.418 1.545 10 0 CDAERP [NH3+]C1(CNC(=O)NCCC2=CC[NH2+]CC2)CCCCCC1 ZINC000418282818 242891341 /nfs/dbraw/zinc/89/13/41/242891341.db2.gz ICIXVNSKPCXPDG-UHFFFAOYSA-N 2 0 294.443 1.647 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]([NH3+])C(C)C)[C@@H](C)C1 ZINC000418383388 243010401 /nfs/dbraw/zinc/01/04/01/243010401.db2.gz IYZNDRPTNJCKPW-MJBXVCDLSA-N 2 0 284.448 1.341 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1 ZINC000418461322 243106916 /nfs/dbraw/zinc/10/69/16/243106916.db2.gz LPNQDNMAGLPSMV-FRRDWIJNSA-N 2 0 290.411 1.598 10 0 CDAERP CCCN(C(=O)N[C@H]1C[NH2+]CC[C@@H]1C)C1CC[NH2+]CC1 ZINC000418586061 243243609 /nfs/dbraw/zinc/24/36/09/243243609.db2.gz ZFBXRFSQEXKFNV-JSGCOSHPSA-N 2 0 282.432 1.158 10 0 CDAERP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccc2c(c1)OCC(=O)N2 ZINC000333303422 299388087 /nfs/dbraw/zinc/38/80/87/299388087.db2.gz QLKLYKOTINTJQC-NTZNESFSSA-N 2 0 289.379 1.666 10 0 CDAERP CC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)[NH+](C)C ZINC000360857230 368522200 /nfs/dbraw/zinc/52/22/00/368522200.db2.gz QEQRQBWSICNVII-JHJVBQTASA-N 2 0 255.406 1.268 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)N[C@H](C)[C@H](C)[NH3+])CC1 ZINC000418701295 243353010 /nfs/dbraw/zinc/35/30/10/243353010.db2.gz PHGPUELNHYAONS-NWDGAFQWSA-N 2 0 270.421 1.238 10 0 CDAERP [NH3+]CC12CCC(CC1)CN2C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000567284096 370944032 /nfs/dbraw/zinc/94/40/32/370944032.db2.gz DMMKEQJRUIUVBR-GULBITTBSA-N 2 0 287.407 1.806 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(=O)[nH]n2)CC1 ZINC000330620107 203046884 /nfs/dbraw/zinc/04/68/84/203046884.db2.gz ZXFXTKPQRCTIRI-LBPRGKRZSA-N 2 0 278.400 1.955 10 0 CDAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC1=[NH+]CCCN1 ZINC000630387618 368856279 /nfs/dbraw/zinc/85/62/79/368856279.db2.gz UVMRRMADDWDAHS-HOCLYGCPSA-N 2 0 286.423 1.693 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC000543713819 368956248 /nfs/dbraw/zinc/95/62/48/368956248.db2.gz DTSDSQZZRXFAMW-UHFFFAOYSA-N 2 0 292.427 1.756 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]C[C@@H](O)Cc2ccccc2)CC[N@@H+]1C ZINC000287013215 369060301 /nfs/dbraw/zinc/06/03/01/369060301.db2.gz KRVVDEUZDNBFFR-BPUTZDHNSA-N 2 0 262.397 1.662 10 0 CDAERP CSCC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000362700317 369112006 /nfs/dbraw/zinc/11/20/06/369112006.db2.gz ALCSSURNCGMMSO-ZIAGYGMSSA-N 2 0 271.474 1.307 10 0 CDAERP Cc1cc(NCC2([NH3+])CCOCC2)c2ccccc2[nH+]1 ZINC000630523709 369134750 /nfs/dbraw/zinc/13/47/50/369134750.db2.gz AQUNWBYRRVGFIP-UHFFFAOYSA-N 2 0 271.364 1.885 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)[NH+](C)C ZINC000368024332 369328140 /nfs/dbraw/zinc/32/81/40/369328140.db2.gz YWUFGOXJZNQYFL-MELADBBJSA-N 2 0 267.417 1.317 10 0 CDAERP [NH3+][C@H](c1cn(C[C@H]2CCC[NH2+]2)nn1)c1ccccc1 ZINC000630604810 369372644 /nfs/dbraw/zinc/37/26/44/369372644.db2.gz DBQUUUMCOKYWGM-OCCSQVGLSA-N 2 0 257.341 1.078 10 0 CDAERP O=C(CC[C@@H]1CC[NH2+]C1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000134518173 369566256 /nfs/dbraw/zinc/56/62/56/369566256.db2.gz KUSNJJRNOYWTAZ-ZIAGYGMSSA-N 2 0 265.401 1.073 10 0 CDAERP [NH3+]CCOCCN1CCc2ccc(F)c(F)c2C1 ZINC000565426043 370444801 /nfs/dbraw/zinc/44/48/01/370444801.db2.gz IRLZZMIRFLSGAT-UHFFFAOYSA-N 2 0 256.296 1.298 10 0 CDAERP [NH3+][C@@H](CNC(=O)NCC1([NH3+])CCCCCC1)C1CC1 ZINC000418286078 370514330 /nfs/dbraw/zinc/51/43/30/370514330.db2.gz QMMXYMUBPGQYPK-LBPRGKRZSA-N 2 0 268.405 1.075 10 0 CDAERP [NH3+][C@H]1CCCCCC[C@H]1C(=O)NCCC[NH+]1CCCC1 ZINC000566193845 370642519 /nfs/dbraw/zinc/64/25/19/370642519.db2.gz RUDDZXUACQLPHH-CABCVRRESA-N 2 0 281.444 1.886 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@H]2CNCC[C@@H]2C)CC1 ZINC000422736571 245195315 /nfs/dbraw/zinc/19/53/15/245195315.db2.gz GOQHNBVVKKWHHI-ZFWWWQNUSA-N 2 0 253.434 1.696 10 0 CDAERP COCCOc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000414956741 371060604 /nfs/dbraw/zinc/06/06/04/371060604.db2.gz NRZJVCCJNUUVOW-CJNGLKHVSA-N 2 0 278.396 1.799 10 0 CDAERP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCC[NH+](C)C ZINC000422776481 245241815 /nfs/dbraw/zinc/24/18/15/245241815.db2.gz DRYVEFSUTZMKEN-HOCLYGCPSA-N 3 0 263.429 1.876 10 0 CDAERP COc1cccc(N2CCC[C@H]([NH2+][C@@H](C)C3C[NH2+]C3)C2)c1 ZINC000422764805 245227857 /nfs/dbraw/zinc/22/78/57/245227857.db2.gz QJGRMKQHDZVEKG-ZFWWWQNUSA-N 2 0 289.423 1.862 10 0 CDAERP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000414969638 371121076 /nfs/dbraw/zinc/12/10/76/371121076.db2.gz ZNEGBAAHZIPASZ-BBRMVZONSA-N 2 0 270.380 1.960 10 0 CDAERP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(C[NH3+])cc1 ZINC000567821993 371159533 /nfs/dbraw/zinc/15/95/33/371159533.db2.gz TXYSURAWHGINHN-CYBMUJFWSA-N 2 0 289.423 1.948 10 0 CDAERP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(C[NH3+])cc1 ZINC000567821994 371159718 /nfs/dbraw/zinc/15/97/18/371159718.db2.gz TXYSURAWHGINHN-ZDUSSCGKSA-N 2 0 289.423 1.948 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000567822944 371160555 /nfs/dbraw/zinc/16/05/55/371160555.db2.gz BJLCAVMPOOABBM-LLVKDONJSA-N 2 0 253.390 1.104 10 0 CDAERP O=C(C[N@@H+]1CCC2(CCC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000123217638 371333722 /nfs/dbraw/zinc/33/37/22/371333722.db2.gz XMOBENAMKWOBIQ-UHFFFAOYSA-N 2 0 291.439 1.605 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000573722997 371638971 /nfs/dbraw/zinc/63/89/71/371638971.db2.gz PSRHYUPENHTPIU-LSDHHAIUSA-N 2 0 281.444 1.899 10 0 CDAERP C[C@@H](C(=O)N1CCN2CCCC[C@@H]2C1)[NH+]1CCCCCC1 ZINC000172117561 372239419 /nfs/dbraw/zinc/23/94/19/372239419.db2.gz VTIPLVUQABSCIP-JKSUJKDBSA-N 2 0 293.455 1.948 10 0 CDAERP CC1CC[NH+](CC(=O)N[C@H]2C[C@@H]([NH2+]CCCF)C2)CC1 ZINC001661665917 1172423918 /nfs/dbraw/zinc/42/39/18/1172423918.db2.gz NGDOQGSUCAXQOW-OKILXGFUSA-N 2 0 285.407 1.315 10 0 CDAERP CC(C)C[C@H]([NH3+])C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000415100230 372832150 /nfs/dbraw/zinc/83/21/50/372832150.db2.gz HRSCZFBKVNMWAB-REWJHTLYSA-N 2 0 252.402 1.907 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@@H]1CC[N@H+](C)[C@H]1CC ZINC000630930835 373404996 /nfs/dbraw/zinc/40/49/96/373404996.db2.gz IZSAGEYGKYJRQG-KGLIPLIRSA-N 2 0 269.433 1.517 10 0 CDAERP COCCN1CCC[C@H]1C[NH2+]Cc1cccc(OC)n1 ZINC000190944311 373425411 /nfs/dbraw/zinc/42/54/11/373425411.db2.gz ALOXOQWPZFLELR-AWEZNQCLSA-N 2 0 279.384 1.291 10 0 CDAERP [NH3+]CC[C@H]1CCC[N@@H+]([C@H]2CCN(C3CCC3)C2=O)C1 ZINC000631825275 373710588 /nfs/dbraw/zinc/71/05/88/373710588.db2.gz DMTAUPSWXNTJLJ-OCCSQVGLSA-N 2 0 265.401 1.201 10 0 CDAERP CC[N@H+](C)C[C@H](O)CN1CCC(CC)([NH+](C)C)CC1 ZINC000640016344 373988039 /nfs/dbraw/zinc/98/80/39/373988039.db2.gz ZEKXLEHJUJJUEQ-AWEZNQCLSA-N 2 0 271.449 1.105 10 0 CDAERP C[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000252708856 374180353 /nfs/dbraw/zinc/18/03/53/374180353.db2.gz BHDSOUNWISUBNB-OAGGEKHMSA-N 2 0 293.455 1.755 10 0 CDAERP C[C@@H]1CC[NH2+][C@H](C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)C1 ZINC000253153001 374194498 /nfs/dbraw/zinc/19/44/98/374194498.db2.gz KKYQXXLWZXQXFJ-SYQHCUMBSA-N 2 0 265.401 1.070 10 0 CDAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000418544683 374407086 /nfs/dbraw/zinc/40/70/86/374407086.db2.gz HMSVOYUSEVXJNQ-APIJFGDWSA-N 2 0 294.443 1.253 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000418584306 374416341 /nfs/dbraw/zinc/41/63/41/374416341.db2.gz XGUNKPIBRYJWPG-KGLIPLIRSA-N 2 0 296.459 1.406 10 0 CDAERP CC(C)[C@H](CNC(=O)NC/C=C/C[NH3+])[NH+]1CCC(C)CC1 ZINC000669279344 541936741 /nfs/dbraw/zinc/93/67/41/541936741.db2.gz AVENYBWADPNHEM-RGDDUWESSA-N 2 0 296.459 1.557 10 0 CDAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H](C)[NH+](C)C2CC2)C1 ZINC000123587502 374696523 /nfs/dbraw/zinc/69/65/23/374696523.db2.gz QOYZUPZUUBSLMM-NFAWXSAZSA-N 2 0 296.459 1.497 10 0 CDAERP [NH3+]CCC(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638851375 375090851 /nfs/dbraw/zinc/09/08/51/375090851.db2.gz JEWQXPYVDCMIIX-INIZCTEOSA-N 2 0 289.423 1.896 10 0 CDAERP [NH3+][C@H]1CCN(C(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000334411718 375312413 /nfs/dbraw/zinc/31/24/13/375312413.db2.gz LHZXIJBSNLLXJF-HNNXBMFYSA-N 2 0 287.407 1.402 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000416870623 375693884 /nfs/dbraw/zinc/69/38/84/375693884.db2.gz IPWPBRFVKLHNAM-STQMWFEESA-N 2 0 270.421 1.143 10 0 CDAERP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000417131842 375727993 /nfs/dbraw/zinc/72/79/93/375727993.db2.gz CBWPKSIEOFZNOW-LXTVHRRPSA-N 2 0 292.427 1.149 10 0 CDAERP C[C@@H]1C[NH+]=C(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)N1 ZINC000306596352 375773382 /nfs/dbraw/zinc/77/33/82/375773382.db2.gz MOBBUPRLGICUBJ-IJEWVQPXSA-N 2 0 286.423 1.977 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](CO)CC(F)F ZINC000428651743 247341168 /nfs/dbraw/zinc/34/11/68/247341168.db2.gz SDZNBRAZXRLFOZ-LBPRGKRZSA-N 2 0 296.321 1.681 10 0 CDAERP O[C@H](C[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1)C[NH+]1CCCC1 ZINC000353227174 375852252 /nfs/dbraw/zinc/85/22/52/375852252.db2.gz ASXUEYSPMFOBJO-VVLHAWIVSA-N 2 0 296.455 1.628 10 0 CDAERP [NH3+]C[C@H]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000638951284 375860280 /nfs/dbraw/zinc/86/02/80/375860280.db2.gz UJAJVCYJASKMNE-HDJSIYSDSA-N 2 0 279.428 1.496 10 0 CDAERP c1cnn(CC[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000194537489 375953166 /nfs/dbraw/zinc/95/31/66/375953166.db2.gz KCXNCLNKLPAJCU-UHFFFAOYSA-N 2 0 262.401 1.691 10 0 CDAERP CC[NH+](CC)CCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000245574630 376096445 /nfs/dbraw/zinc/09/64/45/376096445.db2.gz AMSMLDWDZBSEEJ-LSDHHAIUSA-N 2 0 253.434 1.744 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)C[NH2+]C(C)C)CC1 ZINC000638981940 376345877 /nfs/dbraw/zinc/34/58/77/376345877.db2.gz ZQLYQPDLUFBCNG-UHFFFAOYSA-N 2 0 255.406 1.317 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000417387549 376304400 /nfs/dbraw/zinc/30/44/00/376304400.db2.gz HDDDCPZBRBORHI-DZGCQCFKSA-N 2 0 296.459 1.406 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000344524945 376456447 /nfs/dbraw/zinc/45/64/47/376456447.db2.gz UDERVJPAPQQIRI-RBSFLKMASA-N 2 0 281.444 1.850 10 0 CDAERP C[C@H]1CC2(C[N@@H+]1C[C@H]1CCc3ncnn31)CC[NH2+]CC2 ZINC000631829172 376667812 /nfs/dbraw/zinc/66/78/12/376667812.db2.gz JEFLMLNIDOHSRB-QWHCGFSZSA-N 2 0 275.400 1.229 10 0 CDAERP COCC[NH2+]C1CC[NH+](C[C@@H]2CCO[C@@H]2C)CC1 ZINC000631829294 376668007 /nfs/dbraw/zinc/66/80/07/376668007.db2.gz MQNLYVUVWNANPX-OLZOCXBDSA-N 2 0 256.390 1.112 10 0 CDAERP CCc1nc2n(n1)C[C@H]([NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C)CC2 ZINC000246320251 376626271 /nfs/dbraw/zinc/62/62/71/376626271.db2.gz FGRDBUCMWOOXIN-MCIONIFRSA-N 2 0 291.443 1.475 10 0 CDAERP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000246341953 376633960 /nfs/dbraw/zinc/63/39/60/376633960.db2.gz OVUOTJZBZGRFAM-KBPBESRZSA-N 2 0 284.448 1.500 10 0 CDAERP c1cc2c(cc1C[N@@H+]1CCC[C@H]3C[NH2+]CC[C@@H]31)C[NH2+]CC2 ZINC000631890744 376786850 /nfs/dbraw/zinc/78/68/50/376786850.db2.gz SOVLSKQDOLIBQI-WMZOPIPTSA-N 3 0 285.435 1.906 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH2+]CCc2c(C)nn(C)c2C)[C@@H](C)C1 ZINC000246801369 376990190 /nfs/dbraw/zinc/99/01/90/376990190.db2.gz ABWFROBHLRQRKX-BLLLJJGKSA-N 2 0 278.444 1.899 10 0 CDAERP O=C(C[C@H]1CSCC[NH2+]1)N1CCC(c2c[nH]cn2)CC1 ZINC000334642497 377119267 /nfs/dbraw/zinc/11/92/67/377119267.db2.gz IPRSLWDZLXELIF-LBPRGKRZSA-N 2 0 294.424 1.211 10 0 CDAERP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@@H]1CCCC[N@@H+]1CC ZINC000247555418 377149962 /nfs/dbraw/zinc/14/99/62/377149962.db2.gz QQPZUZSOVOOROY-GJZGRUSLSA-N 2 0 298.475 1.890 10 0 CDAERP CC[C@@H]1CN(CCC[NH+](CC)CC)CC[N@@H+]1C[C@H](C)O ZINC000248944363 377361761 /nfs/dbraw/zinc/36/17/61/377361761.db2.gz CCBCXROHZJJEKS-JKSUJKDBSA-N 2 0 285.476 1.495 10 0 CDAERP [NH3+][C@H]1CCCC[C@@H]1NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000248874613 377344951 /nfs/dbraw/zinc/34/49/51/377344951.db2.gz LUGMLCCGICCWCR-GTGGMXTKSA-N 2 0 265.401 1.293 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001662244679 1172516551 /nfs/dbraw/zinc/51/65/51/1172516551.db2.gz QOYZVVZQJSLELZ-GJZGRUSLSA-N 2 0 281.444 1.921 10 0 CDAERP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CCC2(CC[NH2+]C2)CC1 ZINC000334921696 377692087 /nfs/dbraw/zinc/69/20/87/377692087.db2.gz OEDIUPKENGWZOH-ZDUSSCGKSA-N 2 0 292.427 1.008 10 0 CDAERP C[N@H+](CCNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)C1CCCC1 ZINC000417508100 377701802 /nfs/dbraw/zinc/70/18/02/377701802.db2.gz OUTNZUHZPOAOAN-DZGCQCFKSA-N 2 0 294.443 1.254 10 0 CDAERP Cc1csc(=O)n1CCN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000334979894 377747562 /nfs/dbraw/zinc/74/75/62/377747562.db2.gz JZKPCYOHLZFLLU-CQSZACIVSA-N 2 0 281.425 1.294 10 0 CDAERP CCn1nc(C)c(C[NH2+]CC2CC[NH+](CCO)CC2)c1C ZINC000069414589 378079223 /nfs/dbraw/zinc/07/92/23/378079223.db2.gz SZYIAHDYWVEGSS-UHFFFAOYSA-N 2 0 294.443 1.314 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CCc3[nH]cnc3C2)CC[N@@H+]1C ZINC000633132322 378137481 /nfs/dbraw/zinc/13/74/81/378137481.db2.gz QIBHAVPQSIBYPF-GXFFZTMASA-N 2 0 262.357 1.025 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000193299576 378286784 /nfs/dbraw/zinc/28/67/84/378286784.db2.gz FREAFGPGCMYRAD-QLFBSQMISA-N 2 0 283.460 1.988 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)[C@@H]1CC[NH+](C)[C@H]1CC ZINC000633651919 378645795 /nfs/dbraw/zinc/64/57/95/378645795.db2.gz RSHDSQTVLVHUMS-KGLIPLIRSA-N 2 0 283.460 1.953 10 0 CDAERP C[NH+](C)CCC[C@@H]1C[N@H+](CCC2CCOCC2)CCO1 ZINC000662324832 412894269 /nfs/dbraw/zinc/89/42/69/412894269.db2.gz YPYZOVHEZHLLHR-MRXNPFEDSA-N 2 0 284.444 1.846 10 0 CDAERP C[N@@H+]1CCC[C@H]2CN(C(=O)C3CCC([NH3+])CC3)CC[C@@H]21 ZINC000130119150 412897907 /nfs/dbraw/zinc/89/79/07/412897907.db2.gz LTRSKXGSZUQBGW-SHWKFHJASA-N 2 0 279.428 1.447 10 0 CDAERP [NH3+]C1(CNC(=O)NCC[NH2+]C2CC2)CCCCCC1 ZINC000634047460 378987137 /nfs/dbraw/zinc/98/71/37/378987137.db2.gz KJFAISGHNOKJED-UHFFFAOYSA-N 2 0 268.405 1.089 10 0 CDAERP CC(C)[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001662425543 1172548387 /nfs/dbraw/zinc/54/83/87/1172548387.db2.gz SEKCZVGMBSGJGF-ZIAGYGMSSA-N 2 0 269.433 1.610 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000657572824 412905310 /nfs/dbraw/zinc/90/53/10/412905310.db2.gz HJSFBUVKIXQVRF-KKUMJFAQSA-N 2 0 271.449 1.416 10 0 CDAERP C[C@@H]1C[C@H](C)N(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)C[C@H]1C[NH3+] ZINC000333295440 297365773 /nfs/dbraw/zinc/36/57/73/297365773.db2.gz PHRFEXPNFGURFF-XVIXHAIJSA-N 2 0 267.417 1.206 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](C)C[C@@H](C)O ZINC000344323200 379556834 /nfs/dbraw/zinc/55/68/34/379556834.db2.gz ICNGVAKCTYWWPJ-NWDGAFQWSA-N 2 0 274.368 1.825 10 0 CDAERP C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657598108 412928956 /nfs/dbraw/zinc/92/89/56/412928956.db2.gz YIHGIVKGWYCBBG-IAOVAPTHSA-N 2 0 290.407 1.520 10 0 CDAERP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC3CC2(C)C3)CC1 ZINC000662380568 412943981 /nfs/dbraw/zinc/94/39/81/412943981.db2.gz PVVNVMTUODOFFU-UHFFFAOYSA-N 2 0 265.401 1.071 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001662930265 1172616292 /nfs/dbraw/zinc/61/62/92/1172616292.db2.gz QOZYBAGOZSHUFT-CQSZACIVSA-N 2 0 281.444 1.921 10 0 CDAERP CCC(C)(C)[NH+]1CCN(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000655965389 412976679 /nfs/dbraw/zinc/97/66/79/412976679.db2.gz CQAYMSQEKRFGCT-KBPBESRZSA-N 2 0 296.459 1.500 10 0 CDAERP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000655969917 412983394 /nfs/dbraw/zinc/98/33/94/412983394.db2.gz DENJAHQBVVUXSQ-IGQOVBAYSA-N 2 0 282.432 1.095 10 0 CDAERP C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000647016550 390355752 /nfs/dbraw/zinc/35/57/52/390355752.db2.gz ODZPZJDCMAXHIJ-IUODEOHRSA-N 2 0 275.396 1.619 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH2+]CCCc2ncn(C)n2)[C@H](C)C1 ZINC000647325384 390939086 /nfs/dbraw/zinc/93/90/86/390939086.db2.gz DVBBDESJZNWEKT-CHWSQXEVSA-N 2 0 265.405 1.068 10 0 CDAERP O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000648180721 390941021 /nfs/dbraw/zinc/94/10/21/390941021.db2.gz MPEBWNGKHLFZFW-XGUBFFRZSA-N 2 0 291.439 1.698 10 0 CDAERP C[C@@H]([NH2+]CC(C)(C)[C@@]1(O)CCOC1)C1CC[NH+](C)CC1 ZINC000647341662 390943361 /nfs/dbraw/zinc/94/33/61/390943361.db2.gz ZMJKOGBRCYFZBD-CZUORRHYSA-N 2 0 284.444 1.484 10 0 CDAERP O=C(N[C@H]1CC[NH2+]C12CCCC2)[C@H]1C[NH2+]Cc2ccccc21 ZINC000648211554 390953718 /nfs/dbraw/zinc/95/37/18/390953718.db2.gz VBZFRFXFGUQXFO-HOTGVXAUSA-N 2 0 299.418 1.664 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000181124746 390913676 /nfs/dbraw/zinc/91/36/76/390913676.db2.gz ISUJOEVOLFKLHD-JKSUJKDBSA-N 2 0 283.460 1.512 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N2CC[NH2+][C@H](C)[C@H]2C)CC1 ZINC000417746960 391013547 /nfs/dbraw/zinc/01/35/47/391013547.db2.gz IAPOBVGQSSLDFB-ZIAGYGMSSA-N 2 0 296.459 1.500 10 0 CDAERP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)C1CCCCCC1 ZINC000518753773 390965352 /nfs/dbraw/zinc/96/53/52/390965352.db2.gz FXFYFPXTSYVCBM-ZDUSSCGKSA-N 2 0 267.417 1.367 10 0 CDAERP C[C@@H]1C[C@H](C[NH2+][C@H]2CC[NH2+]C23CCCC3)CC[NH2+]1 ZINC000647553482 391001097 /nfs/dbraw/zinc/00/10/97/391001097.db2.gz BDBLNSRAZHCQHC-MCIONIFRSA-N 3 0 251.418 1.639 10 0 CDAERP C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]C[C@@H]2CC[NH2+]C2)C1 ZINC000647892239 391169891 /nfs/dbraw/zinc/16/98/91/391169891.db2.gz GQZKCFDJBRZTTG-NFAWXSAZSA-N 2 0 254.418 1.763 10 0 CDAERP O=C(CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)NC1CCCC1 ZINC000647901666 391198369 /nfs/dbraw/zinc/19/83/69/391198369.db2.gz SLRPQCMDXNLWHG-ZBFHGGJFSA-N 2 0 293.455 1.899 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCO[C@@H]2CCOC2)[C@H]2CCC[C@@H]21 ZINC000353404050 391288996 /nfs/dbraw/zinc/28/89/96/391288996.db2.gz LTJZUSPHSSZXMJ-WCVJEAGWSA-N 2 0 282.428 1.644 10 0 CDAERP CCC[C@@H]1C[NH2+]CCN1C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000418033332 391350163 /nfs/dbraw/zinc/35/01/63/391350163.db2.gz VTPIQIWHKGDYOF-OAHLLOKOSA-N 2 0 294.443 1.422 10 0 CDAERP C[C@@H](NC(=O)N[C@@H]1C[NH2+]CC[C@H]1C)C(C)(C)C[NH+](C)C ZINC000417860279 391515403 /nfs/dbraw/zinc/51/54/03/391515403.db2.gz URTJMPPXRPXEGG-JHJVBQTASA-N 2 0 284.448 1.260 10 0 CDAERP CC(C)[NH+](CCCNC(=O)N[C@@H](C)[C@H](C)[NH3+])C(C)C ZINC000417805904 391492826 /nfs/dbraw/zinc/49/28/26/391492826.db2.gz ZNYCVIGOULVALW-STQMWFEESA-N 2 0 272.437 1.530 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000425962453 391498042 /nfs/dbraw/zinc/49/80/42/391498042.db2.gz YHRWBIWUWSVRDK-IYBDPMFKSA-N 2 0 297.406 1.569 10 0 CDAERP CC1CCC([NH+]2CCN(C(=O)C[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000130780320 391629870 /nfs/dbraw/zinc/62/98/70/391629870.db2.gz SHQNHYRRPJTMOT-HWOWSKLDSA-N 2 0 293.455 1.709 10 0 CDAERP C[C@@H]([NH2+]CC1COC1)c1cccc(OCC[NH+](C)C)c1 ZINC000528025164 391584365 /nfs/dbraw/zinc/58/43/65/391584365.db2.gz MPJUPKOWRXUWIM-CYBMUJFWSA-N 2 0 278.396 1.924 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000417547936 391652376 /nfs/dbraw/zinc/65/23/76/391652376.db2.gz HKGCHCGUCIVSJO-ILXRZTDVSA-N 2 0 296.459 1.404 10 0 CDAERP CSc1ccccc1C[C@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000263312569 391695949 /nfs/dbraw/zinc/69/59/49/391695949.db2.gz YYRCLALZYVSTKK-UBHSHLNASA-N 2 0 280.437 1.509 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N1CC[N@H+](C)CC12CCCCC2 ZINC000193323016 391739677 /nfs/dbraw/zinc/73/96/77/391739677.db2.gz WDJIHXIWAZGSOJ-ZDUSSCGKSA-N 2 0 267.417 1.591 10 0 CDAERP C[C@@H]1CC[C@@H](C)[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000362441943 391724169 /nfs/dbraw/zinc/72/41/69/391724169.db2.gz UKISOVISCYBBOU-ZIAGYGMSSA-N 2 0 293.455 1.850 10 0 CDAERP C[C@H](CCC(F)(F)F)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415045240 391736071 /nfs/dbraw/zinc/73/60/71/391736071.db2.gz TWAYXGNKOLUAOK-ZJUUUORDSA-N 2 0 254.296 1.686 10 0 CDAERP CNC(=O)[C@H]1CC[N@H+](Cc2ccc(-n3ccnc3)cc2C)C1 ZINC000420974634 391771994 /nfs/dbraw/zinc/77/19/94/391771994.db2.gz MRCWDLJDMPINNK-HNNXBMFYSA-N 2 0 298.390 1.749 10 0 CDAERP CCNC(=O)C[C@@H]1CCCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000342056625 130226488 /nfs/dbraw/zinc/22/64/88/130226488.db2.gz BRQCXTFADJUPQU-GJZGRUSLSA-N 2 0 281.444 1.851 10 0 CDAERP CC[NH+]1CCC(CNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)CC1 ZINC000520374614 391788554 /nfs/dbraw/zinc/78/85/54/391788554.db2.gz LDRNDNHQUYWHET-HNNXBMFYSA-N 2 0 294.443 1.254 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](C)CN(C)C ZINC000342218414 130390587 /nfs/dbraw/zinc/39/05/87/130390587.db2.gz FKNKSEZZVXCYST-LBPRGKRZSA-N 2 0 273.384 1.615 10 0 CDAERP CC1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000246343238 391877622 /nfs/dbraw/zinc/87/76/22/391877622.db2.gz IERLMEUDHBSMEY-LSDHHAIUSA-N 2 0 281.444 1.659 10 0 CDAERP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)COC1(C)C[NH2+]C1 ZINC000649310410 391978475 /nfs/dbraw/zinc/97/84/75/391978475.db2.gz DTZHWNURSLPYGS-CQSZACIVSA-N 2 0 297.443 1.136 10 0 CDAERP COC[C@@H]([NH2+]CC1CC[NH+](C)CC1)C1CCOCC1 ZINC000187965097 392067971 /nfs/dbraw/zinc/06/79/71/392067971.db2.gz XMXDKLYFYQLENY-OAHLLOKOSA-N 2 0 270.417 1.359 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000457973294 392308560 /nfs/dbraw/zinc/30/85/60/392308560.db2.gz IFAOEDVNECJLPP-OAHLLOKOSA-N 2 0 286.379 1.825 10 0 CDAERP CC[NH+](CC)[C@H](C)CN[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000423084276 392329200 /nfs/dbraw/zinc/32/92/00/392329200.db2.gz HKOADKXHWWMDMI-YIYPIFLZSA-N 2 0 257.422 1.059 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000423092463 392336826 /nfs/dbraw/zinc/33/68/26/392336826.db2.gz BYWCVNFWSOIWJS-WDEREUQCSA-N 2 0 250.333 1.765 10 0 CDAERP CC(C)C1CC([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000488429706 392357793 /nfs/dbraw/zinc/35/77/93/392357793.db2.gz DBYZOQMJLZLLBM-NFOMZHRRSA-N 2 0 281.444 1.598 10 0 CDAERP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccccc2CC[NH3+])C1 ZINC000568149584 392373960 /nfs/dbraw/zinc/37/39/60/392373960.db2.gz SMJFLHCXOCJESL-GXTWGEPZSA-N 2 0 275.396 1.387 10 0 CDAERP O=C(CC[NH2+]C1CC1)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000568232108 392425402 /nfs/dbraw/zinc/42/54/02/392425402.db2.gz FAJCDZOLAJSNOJ-UHFFFAOYSA-N 2 0 277.343 1.552 10 0 CDAERP C([NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1)[C@@H]1CCC[NH2+]1 ZINC000423234150 392460663 /nfs/dbraw/zinc/46/06/63/392460663.db2.gz LDCXSBDYHDOFLZ-BYNSBNAKSA-N 2 0 252.402 1.923 10 0 CDAERP Cn1cncc1CCC[N@@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000574098542 392515495 /nfs/dbraw/zinc/51/54/95/392515495.db2.gz PYJIQAYYXGRZFX-NUEKZKHPSA-N 2 0 293.411 1.215 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCOCC2)[C@H](C)O1 ZINC000449081050 392632834 /nfs/dbraw/zinc/63/28/34/392632834.db2.gz BJCKLTIPJBQIHI-HZSPNIEDSA-N 2 0 256.390 1.254 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H](C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C1 ZINC000218912257 392977816 /nfs/dbraw/zinc/97/78/16/392977816.db2.gz DDSZGSQPSYMIOR-MGPQQGTHSA-N 2 0 265.401 1.201 10 0 CDAERP CCC[C@H](O)C[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000450893378 392987381 /nfs/dbraw/zinc/98/73/81/392987381.db2.gz GWDJARQPLRWLPQ-ZDUSSCGKSA-N 2 0 279.384 1.373 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CCCN2CCC[N@H+](C)CC2)[C@H]1C ZINC000495083747 393174211 /nfs/dbraw/zinc/17/42/11/393174211.db2.gz ZDBWBNMGHOHMND-QLFBSQMISA-N 2 0 253.434 1.648 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)[C@H]1C ZINC000494890117 393122313 /nfs/dbraw/zinc/12/23/13/393122313.db2.gz DNJLDQDJHZDTAA-YCPHGPKFSA-N 2 0 288.439 1.968 10 0 CDAERP CCc1nccn1[C@H](C)CC(=O)NCC[N@H+](C)CCOC ZINC000648763349 393297193 /nfs/dbraw/zinc/29/71/93/393297193.db2.gz QYEOMUNCLPTIPX-CYBMUJFWSA-N 2 0 296.415 1.091 10 0 CDAERP C[C@@H](C[NH+](C)C)NC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000495454513 393271313 /nfs/dbraw/zinc/27/13/13/393271313.db2.gz KAFMPKJWNHCRSJ-BFHYXJOUSA-N 2 0 284.448 1.499 10 0 CDAERP O=C(CC[C@@H]1CC[NH2+]C1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000134518143 139879765 /nfs/dbraw/zinc/87/97/65/139879765.db2.gz KUSNJJRNOYWTAZ-KGLIPLIRSA-N 2 0 265.401 1.073 10 0 CDAERP Cc1nccn1C[C@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000178982345 140010879 /nfs/dbraw/zinc/01/08/79/140010879.db2.gz GLNSPBWQWWQJFG-OAHLLOKOSA-N 2 0 262.401 1.656 10 0 CDAERP [NH3+][C@H](CC(=O)N(C[C@H]1CCC[NH2+]1)C1CC1)c1ccccc1 ZINC000186562137 140064034 /nfs/dbraw/zinc/06/40/34/140064034.db2.gz PQSMVVINXKSGJB-GDBMZVCRSA-N 2 0 287.407 1.820 10 0 CDAERP C[C@H](C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1)[NH+]1CCCCCC1 ZINC000186561942 140064291 /nfs/dbraw/zinc/06/42/91/140064291.db2.gz UBPHFPNMLBPSAQ-CABCVRRESA-N 2 0 293.455 1.994 10 0 CDAERP C[N@H+]1C[C@@H]2C[NH+](CCC(=O)Nc3ccc(F)cc3)C[C@@H]2C1 ZINC000193598963 140147369 /nfs/dbraw/zinc/14/73/69/140147369.db2.gz OQAIUJQKEVDBSX-BETUJISGSA-N 2 0 291.370 1.648 10 0 CDAERP C[C@H](C[NH3+])C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261553958 140346561 /nfs/dbraw/zinc/34/65/61/140346561.db2.gz SYOLBMZLMLJZFZ-HIFRSBDPSA-N 2 0 275.396 1.314 10 0 CDAERP CN(CC(C)(C)[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261557513 140347334 /nfs/dbraw/zinc/34/73/34/140347334.db2.gz XGVXBUHYEIYMEG-HNNXBMFYSA-N 2 0 261.413 1.930 10 0 CDAERP O=C([C@@H]1CCCC[NH2+]1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371235996 304318045 /nfs/dbraw/zinc/31/80/45/304318045.db2.gz NJWHIEOLLUISLW-IHRRRGAJSA-N 2 0 265.401 1.119 10 0 CDAERP C[C@H](C[NH2+][C@H]1CCCC[C@H]1C[NH3+])N1C[C@@H](C)O[C@@H](C)C1 ZINC000656200102 413096627 /nfs/dbraw/zinc/09/66/27/413096627.db2.gz JNJIZBAYWZTQAU-OWYFMNJBSA-N 2 0 283.460 1.591 10 0 CDAERP COCC1(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000656200326 413097516 /nfs/dbraw/zinc/09/75/16/413097516.db2.gz LSVDVVILLKQKBD-HIFRSBDPSA-N 2 0 262.397 1.961 10 0 CDAERP CO[C@H](C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1)[C@@H]1CCOC1 ZINC000660415149 413110272 /nfs/dbraw/zinc/11/02/72/413110272.db2.gz AJORFUDGKXCQLH-RBSFLKMASA-N 2 0 270.417 1.454 10 0 CDAERP CO[C@@H](C[N@H+](C)CCC[NH+]1CCCC1)[C@H]1CCOC1 ZINC000660463996 413142243 /nfs/dbraw/zinc/14/22/43/413142243.db2.gz KQERMDTWLMNJKD-GJZGRUSLSA-N 2 0 270.417 1.456 10 0 CDAERP O[C@H]1CCC[C@@H]1C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000656263481 413143875 /nfs/dbraw/zinc/14/38/75/413143875.db2.gz JMGMYLOJHXNNHX-KBMXLJTQSA-N 2 0 282.428 1.380 10 0 CDAERP C[C@@H](CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[NH+](C)C ZINC000664233273 413164416 /nfs/dbraw/zinc/16/44/16/413164416.db2.gz IOTXLTCZNIUKTD-AVOUXACISA-N 2 0 296.459 1.641 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)NCCC[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000417871517 397645748 /nfs/dbraw/zinc/64/57/48/397645748.db2.gz JYDWFMSXPKEHRE-UKRRQHHQSA-N 2 0 290.411 1.297 10 0 CDAERP CN(C(=O)CC[C@H]1CCC[NH2+]1)[C@@H]1C[NH+]2CCC1CC2 ZINC000389192169 397846593 /nfs/dbraw/zinc/84/65/93/397846593.db2.gz OOSDYDLNDFTTGJ-ZIAGYGMSSA-N 2 0 265.401 1.071 10 0 CDAERP CC[C@H](C)C[NH2+]CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001663938616 1172792225 /nfs/dbraw/zinc/79/22/25/1172792225.db2.gz XMUNHLIMKPFHRP-ZFWWWQNUSA-N 2 0 281.444 1.422 10 0 CDAERP C[NH2+]CC1CC[NH+](Cc2ccc(C(=O)OC)cn2)CC1 ZINC000094763016 147095361 /nfs/dbraw/zinc/09/53/61/147095361.db2.gz DJQZXKKSFSYEJX-UHFFFAOYSA-N 2 0 277.368 1.300 10 0 CDAERP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)[C@@H]1CCCOC1 ZINC000658106267 413206756 /nfs/dbraw/zinc/20/67/56/413206756.db2.gz HNUDOCGMSOEHMW-ARFHVFGLSA-N 2 0 285.476 1.663 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CC[NH2+]C[C@H]2C)[C@H](C)C1 ZINC000423365055 286063579 /nfs/dbraw/zinc/06/35/79/286063579.db2.gz CTNYXJKERVPHAA-VQHPVUNQSA-N 2 0 297.487 1.711 10 0 CDAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCCOC3)cc2)C1 ZINC000658139896 413228299 /nfs/dbraw/zinc/22/82/99/413228299.db2.gz NWAIHXFDDOCEEB-IAGOWNOFSA-N 2 0 290.407 1.522 10 0 CDAERP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccc2ccccc21 ZINC000262193220 149032678 /nfs/dbraw/zinc/03/26/78/149032678.db2.gz YYZJBQFLMRAUNF-ZBFHGGJFSA-N 2 0 256.349 1.510 10 0 CDAERP C[NH2+]CC1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC1 ZINC000262234285 149037622 /nfs/dbraw/zinc/03/76/22/149037622.db2.gz QSGIQARNKCARKI-GOEBONIOSA-N 2 0 279.428 1.224 10 0 CDAERP C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262476425 149068322 /nfs/dbraw/zinc/06/83/22/149068322.db2.gz XKXZTFKYAIFXJE-MJBXVCDLSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@H]1C[C@@H](NCc2ccc3c[nH+]cn3c2)CC[N@@H+]1C ZINC000334865389 150008557 /nfs/dbraw/zinc/00/85/57/150008557.db2.gz ANQHGARNZIIWTP-JSGCOSHPSA-N 2 0 258.369 1.907 10 0 CDAERP C[C@@H]1C[C@H](C[NH+]2CCC(c3c[nH]cn3)CC2)CC[NH2+]1 ZINC000334879252 150024467 /nfs/dbraw/zinc/02/44/67/150024467.db2.gz ATHXJSFRWCQDDM-CHWSQXEVSA-N 3 0 262.401 1.977 10 0 CDAERP CC1=CC[N@H+](CCNC(=O)N2CC[NH2+][C@H](C)[C@@H]2C)CC1 ZINC000335186520 150384417 /nfs/dbraw/zinc/38/44/17/150384417.db2.gz KAHWSOBMXHEAPP-KGLIPLIRSA-N 2 0 280.416 1.030 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)CC1([NH3+])CC1)Cc1ccccc1 ZINC000662663982 413270012 /nfs/dbraw/zinc/27/00/12/413270012.db2.gz RKHUMMGQUSZIEE-AWEZNQCLSA-N 2 0 275.396 1.157 10 0 CDAERP CC[C@@H]1C[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C[C@@H]1O ZINC000346169678 153080381 /nfs/dbraw/zinc/08/03/81/153080381.db2.gz MOHQPTIXINXARO-CJNGLKHVSA-N 2 0 286.379 1.778 10 0 CDAERP COCC[N@@H+]1CC[C@@H](N(CCC[NH3+])c2ccccc2F)C1 ZINC000346362976 153155424 /nfs/dbraw/zinc/15/54/24/153155424.db2.gz MHEZHARWJHINSX-CQSZACIVSA-N 2 0 295.402 1.702 10 0 CDAERP [NH3+][C@H]1C[C@H](C(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000662682439 413305625 /nfs/dbraw/zinc/30/56/25/413305625.db2.gz GKFKKBWBTIRPJO-HDJSIYSDSA-N 2 0 265.401 1.058 10 0 CDAERP C[C@@H](CNC(=O)C1([NH2+]C2CC2)CCC1)C[NH+]1CCCCC1 ZINC000662689427 413317391 /nfs/dbraw/zinc/31/73/91/413317391.db2.gz GQQAFVFWESCREN-AWEZNQCLSA-N 2 0 293.455 1.899 10 0 CDAERP CO[C@]1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CCOC1 ZINC000353689132 156014579 /nfs/dbraw/zinc/01/45/79/156014579.db2.gz PVVUYBFIHYEWGL-TUVASFSCSA-N 2 0 268.401 1.254 10 0 CDAERP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@H]2CCC(=O)N2)CC1 ZINC000658259702 413320668 /nfs/dbraw/zinc/32/06/68/413320668.db2.gz NSVZFOBDXPYEHZ-BPUTZDHNSA-N 2 0 293.455 1.898 10 0 CDAERP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)CC2([NH3+])CC2)C1 ZINC000662696360 413330367 /nfs/dbraw/zinc/33/03/67/413330367.db2.gz XZSYOADAQCWQDK-STQMWFEESA-N 2 0 281.444 1.741 10 0 CDAERP CC[NH+]1CCC([NH2+]CCN2C[C@H]3CCCCN3C2=O)CC1 ZINC000658305595 413354891 /nfs/dbraw/zinc/35/48/91/413354891.db2.gz ASPUDANJXVBUIX-OAHLLOKOSA-N 2 0 294.443 1.350 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC000359748355 158361872 /nfs/dbraw/zinc/36/18/72/158361872.db2.gz ZSLWKQWDQRTHEM-ZDUSSCGKSA-N 2 0 292.427 1.998 10 0 CDAERP CN(C(=O)C1([NH2+]C2CC2)CCC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000662719887 413377636 /nfs/dbraw/zinc/37/76/36/413377636.db2.gz MGNGEECHUAOTCP-CQSZACIVSA-N 2 0 277.412 1.356 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)C1 ZINC000654515071 413381976 /nfs/dbraw/zinc/38/19/76/413381976.db2.gz ZHDLSZXNXRZVPC-RDBSUJKOSA-N 2 0 265.401 1.071 10 0 CDAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000373516475 160207583 /nfs/dbraw/zinc/20/75/83/160207583.db2.gz PUJWLECYFBZRBQ-JSGCOSHPSA-N 2 0 290.411 1.140 10 0 CDAERP C[C@@H]([NH3+])C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000237462413 286906633 /nfs/dbraw/zinc/90/66/33/286906633.db2.gz MNZFENRNGBWCRO-VXGBXAGGSA-N 2 0 265.357 1.270 10 0 CDAERP C[C@@H](NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2)[C@H]1CCC[NH2+]C1 ZINC000261986840 286997689 /nfs/dbraw/zinc/99/76/89/286997689.db2.gz KKWNWIYTXLNRSZ-ORIJERBGSA-N 2 0 279.428 1.271 10 0 CDAERP CC(C)NC(=O)CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173878246 165035816 /nfs/dbraw/zinc/03/58/16/165035816.db2.gz KGWCVCNVTUFORQ-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000261777876 165051539 /nfs/dbraw/zinc/05/15/39/165051539.db2.gz SBROOCOQYXJPQZ-KGLIPLIRSA-N 2 0 279.359 1.078 10 0 CDAERP CCNC(=O)[C@H](C)[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC000020309014 171143493 /nfs/dbraw/zinc/14/34/93/171143493.db2.gz LQDKDMPXPJKGRD-STQMWFEESA-N 2 0 257.422 1.611 10 0 CDAERP CC[NH+]1CCC(N(C)CC[C@@H]2CCCC[NH2+]2)CC1 ZINC000020593543 171263138 /nfs/dbraw/zinc/26/31/38/171263138.db2.gz YMTVTIOETGCUQJ-AWEZNQCLSA-N 2 0 253.434 1.935 10 0 CDAERP C[C@H](C(=O)N1CC2CCC1(C[NH3+])CC2)[NH+]1CCCCCC1 ZINC000653169491 412106420 /nfs/dbraw/zinc/10/64/20/412106420.db2.gz KWTCAXIAEGTHGA-HPUBIQBYSA-N 2 0 293.455 1.981 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)CC1CC[NH2+]CC1 ZINC000653176489 412115941 /nfs/dbraw/zinc/11/59/41/412115941.db2.gz WMQBAGJGUKVFFZ-UHFFFAOYSA-N 2 0 269.433 1.470 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)C1([NH3+])CCCCC1 ZINC000653176171 412116466 /nfs/dbraw/zinc/11/64/66/412116466.db2.gz MBIQBWDGYXXNQM-UHFFFAOYSA-N 2 0 269.433 1.742 10 0 CDAERP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCCC1(C[NH3+])CC1 ZINC000653221370 412147725 /nfs/dbraw/zinc/14/77/25/412147725.db2.gz UDPDDKZQKPJSTB-NSHDSACASA-N 2 0 255.406 1.256 10 0 CDAERP CC(C)([NH3+])c1cc(C(=O)Nc2ccc3c(c2)C[NH2+]C3)on1 ZINC000662786227 413496519 /nfs/dbraw/zinc/49/65/19/413496519.db2.gz UXHXGNKUQCFEQQ-UHFFFAOYSA-N 2 0 286.335 1.724 10 0 CDAERP C[N@@H+]1CCC[C@H]2CN(C(=O)C3([NH2+]C4CC4)CCC3)CC[C@H]21 ZINC000662803834 413521455 /nfs/dbraw/zinc/52/14/55/413521455.db2.gz MMZZYAXOVHSTOJ-DZGCQCFKSA-N 2 0 291.439 1.604 10 0 CDAERP CCCOc1ccc(C[NH3+])c(OCC[NH+](C)C)c1 ZINC000035413922 172186514 /nfs/dbraw/zinc/18/65/14/172186514.db2.gz HZAJHQPZXKQKDV-UHFFFAOYSA-N 2 0 252.358 1.875 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)NCC1([NH3+])CCCC1 ZINC000662863852 413625991 /nfs/dbraw/zinc/62/59/91/413625991.db2.gz XVAYUJMNPRDSKV-UHFFFAOYSA-N 2 0 261.369 1.189 10 0 CDAERP [NH3+][C@@H](CC(F)F)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000662868244 413627836 /nfs/dbraw/zinc/62/78/36/413627836.db2.gz ZHMHVUAZVDGZHP-FRRDWIJNSA-N 2 0 297.349 1.231 10 0 CDAERP C[C@@H]1C[C@@H](C[NH2+][C@@H]2Cc3ccccc3N(C)C2=O)CC[NH2+]1 ZINC000656787147 413665709 /nfs/dbraw/zinc/66/57/09/413665709.db2.gz DVVLGIYIBSNCEM-VNHYZAJKSA-N 2 0 287.407 1.552 10 0 CDAERP C[C@@H](C[NH+](C)C)NC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000664894921 413718754 /nfs/dbraw/zinc/71/87/54/413718754.db2.gz BHGJGPBNQCSRFJ-NWDGAFQWSA-N 2 0 270.421 1.109 10 0 CDAERP C[NH2+]C[C@@H](C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659347678 413738576 /nfs/dbraw/zinc/73/85/76/413738576.db2.gz HTJGCSCCAJRUEO-BPLDGKMQSA-N 2 0 275.396 1.104 10 0 CDAERP [NH3+][C@@H]1CN(C(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC[C@H]1F ZINC000659388809 413774395 /nfs/dbraw/zinc/77/43/95/413774395.db2.gz MXXPEAROBWVDJB-QNWHQSFQSA-N 2 0 271.380 1.182 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407271336 413915641 /nfs/dbraw/zinc/91/56/41/413915641.db2.gz PMKCZKJPDNHYBP-IACUBPJLSA-N 2 0 267.417 1.364 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000665274843 414011357 /nfs/dbraw/zinc/01/13/57/414011357.db2.gz ZOYSFWKQFNSQFL-BYNSBNAKSA-N 2 0 281.444 1.345 10 0 CDAERP Cn1ncc(C2CCC2)c1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000665274709 414012320 /nfs/dbraw/zinc/01/23/20/414012320.db2.gz WWZMPYMOUMPDBA-GXTWGEPZSA-N 2 0 262.401 1.905 10 0 CDAERP COC1CC(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000665230978 413959810 /nfs/dbraw/zinc/95/98/10/413959810.db2.gz ZPMSTTSDPXQXSQ-VSSFCTHRSA-N 2 0 252.402 1.779 10 0 CDAERP CC(C)[NH+](CCNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1)C(C)C ZINC000407435720 413963312 /nfs/dbraw/zinc/96/33/12/413963312.db2.gz ROFMXJNZWFWLCZ-GJZGRUSLSA-N 2 0 281.444 1.752 10 0 CDAERP CC(C)C[C@H](CNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1)[NH+](C)C ZINC000407443277 413965480 /nfs/dbraw/zinc/96/54/80/413965480.db2.gz VQVIHVVKXCYKJU-KFWWJZLASA-N 2 0 281.444 1.610 10 0 CDAERP C[NH+](C)CCCC(C)(C)NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659613712 414019935 /nfs/dbraw/zinc/01/99/35/414019935.db2.gz LGOCZOYHTMUATN-UHFFFAOYSA-N 2 0 282.432 1.158 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccnn2-c2ccccn2)C1 ZINC000655825099 414231251 /nfs/dbraw/zinc/23/12/51/414231251.db2.gz WTJYTJRXWVEYRF-OTVXOJSOSA-N 2 0 285.395 1.697 10 0 CDAERP c1cc(C[NH2+][C@H]2CCc3n[nH]cc3C2)n(-c2cc[nH+]cc2)n1 ZINC000657368758 414234916 /nfs/dbraw/zinc/23/49/16/414234916.db2.gz TUSZEYQGVCULRR-ZDUSSCGKSA-N 2 0 294.362 1.638 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)N(C)C1CC1 ZINC000657351537 414216982 /nfs/dbraw/zinc/21/69/82/414216982.db2.gz PTZRSPFGKVLIGV-ZDUSSCGKSA-N 2 0 285.395 1.840 10 0 CDAERP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@]2(O)CCCOC2)C1 ZINC000659975553 414316016 /nfs/dbraw/zinc/31/60/16/414316016.db2.gz XFNAYYLRAQWYKN-JKSUJKDBSA-N 2 0 282.428 1.192 10 0 CDAERP COC[C@H](C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)OC ZINC000659957450 414300219 /nfs/dbraw/zinc/30/02/19/414300219.db2.gz SIIBRDGLBRCZJZ-CABCVRRESA-N 2 0 270.417 1.456 10 0 CDAERP c1cc([C@@H]2C[NH2+]CCO2)ccc1NC[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663500790 414302444 /nfs/dbraw/zinc/30/24/44/414302444.db2.gz OFJSSKARNIFSRL-KBMXLJTQSA-N 2 0 273.380 1.369 10 0 CDAERP Cn1cnc(CC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)c1 ZINC000657489508 414389195 /nfs/dbraw/zinc/38/91/95/414389195.db2.gz WFJIFLRKWLWXLH-UHFFFAOYSA-N 2 0 282.351 1.333 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](COC)OC)C[C@@H]1C ZINC000659983939 414326210 /nfs/dbraw/zinc/32/62/10/414326210.db2.gz YQBORBNEZKZYPI-MELADBBJSA-N 2 0 258.406 1.452 10 0 CDAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H]3COC[C@H]3C2)CC1 ZINC000662030046 414477180 /nfs/dbraw/zinc/47/71/80/414477180.db2.gz CTCWOALAZOLPHU-DLBZAZTESA-N 2 0 295.471 1.371 10 0 CDAERP CC(C)(C)C[N@H+](CCCO)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662257420 414592096 /nfs/dbraw/zinc/59/20/96/414592096.db2.gz OEINMAKCNWWHAB-ZDUSSCGKSA-N 2 0 270.417 1.238 10 0 CDAERP c1ccc2c(c1)CCC[N@@H+](C[C@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000662257381 414592303 /nfs/dbraw/zinc/59/23/03/414592303.db2.gz NECILTPHUXHYKK-MRXNPFEDSA-N 2 0 272.392 1.956 10 0 CDAERP C[C@@H](c1cccc(O)c1)[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662257765 414593777 /nfs/dbraw/zinc/59/37/77/414593777.db2.gz PSOMLUGGIBSGCK-WFASDCNBSA-N 2 0 276.380 1.906 10 0 CDAERP C[C@@H](O)C[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CCCCC1 ZINC000662258414 414594947 /nfs/dbraw/zinc/59/49/47/414594947.db2.gz UMXQATNIJMOLKD-HIFRSBDPSA-N 2 0 282.428 1.523 10 0 CDAERP Cc1cnc(CC[N@@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)s1 ZINC000662276974 414607416 /nfs/dbraw/zinc/60/74/16/414607416.db2.gz CDBAAFJIDKLSDX-GFCCVEGCSA-N 2 0 281.425 1.447 10 0 CDAERP COC[C@@H](C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)OC ZINC000662284363 414614049 /nfs/dbraw/zinc/61/40/49/414614049.db2.gz VRVKKOKBFVPOBI-CHWSQXEVSA-N 2 0 256.390 1.112 10 0 CDAERP CC1(C)CCCC[C@@H]1C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000662242073 414581162 /nfs/dbraw/zinc/58/11/62/414581162.db2.gz BFJGWCIQIMXAOR-LSDHHAIUSA-N 2 0 295.471 1.990 10 0 CDAERP CC(C)NC(=O)[C@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000662318363 414635773 /nfs/dbraw/zinc/63/57/73/414635773.db2.gz ZCXISBFHEMAGBX-HNNXBMFYSA-N 2 0 281.444 1.613 10 0 CDAERP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H](CCF)C1 ZINC000662310011 414631466 /nfs/dbraw/zinc/63/14/66/414631466.db2.gz GHBRWVKPKXPAGK-IKGGRYGDSA-N 2 0 294.414 1.989 10 0 CDAERP Cc1ccsc1C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508092 174302652 /nfs/dbraw/zinc/30/26/52/174302652.db2.gz ADBFUBSJEHCTNO-ZDUSSCGKSA-N 2 0 293.436 1.453 10 0 CDAERP CO[C@H]1C[NH2+][C@@H](C(=O)Nc2ccccc2C[NH+](C)C)C1 ZINC000040632535 174358768 /nfs/dbraw/zinc/35/87/68/174358768.db2.gz VJYVIBCNMZFOIA-TZMCWYRMSA-N 2 0 277.368 1.064 10 0 CDAERP O=C(C[C@H]1CCCC[NH2+]1)N1CCC([NH+]2CCCCC2)CC1 ZINC000040694367 174377674 /nfs/dbraw/zinc/37/76/74/174377674.db2.gz XODUXHNJKCBHSH-OAHLLOKOSA-N 2 0 293.455 1.996 10 0 CDAERP Cc1cc(NC(=O)CC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000040746923 174392098 /nfs/dbraw/zinc/39/20/98/174392098.db2.gz QMLNWHRXSGAYIB-FUNVUKJBSA-N 2 0 292.383 1.526 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccc2c(c1)OCCO2 ZINC000040749407 174394016 /nfs/dbraw/zinc/39/40/16/174394016.db2.gz SBGUAFKFUCYWIC-AGUYFDCRSA-N 2 0 274.364 1.912 10 0 CDAERP CC[C@@H]([NH3+])[C@@H](c1cccnc1)N(C)C1CC[NH+](C)CC1 ZINC000043345694 175017087 /nfs/dbraw/zinc/01/70/87/175017087.db2.gz VCVNRFFRUCBMTC-HZPDHXFCSA-N 2 0 276.428 1.886 10 0 CDAERP C[C@@H]([NH3+])[C@@H](c1ccncc1)N1CCC(C[NH+](C)C)CC1 ZINC000043354410 175021649 /nfs/dbraw/zinc/02/16/49/175021649.db2.gz QNXLBLOKQDICRH-CJNGLKHVSA-N 2 0 276.428 1.744 10 0 CDAERP CC[C@H]([NH3+])[C@@H](N1CCC(C[NH+](C)C)CC1)C(F)(F)F ZINC000043378702 175030736 /nfs/dbraw/zinc/03/07/36/175030736.db2.gz CAXNUMYWXJPORU-NWDGAFQWSA-N 2 0 281.366 1.928 10 0 CDAERP NC(=[NH2+])c1cc2c(nc1OCC[NH+]1CCCC1)CCC2 ZINC000043407153 175037281 /nfs/dbraw/zinc/03/72/81/175037281.db2.gz VMPFKYBBMBMQLF-UHFFFAOYSA-N 2 0 274.368 1.329 10 0 CDAERP CC(C)[C@@H](CNC(=O)CC[C@H]1CCC[NH2+]C1)[NH+](C)C ZINC000043591064 175073823 /nfs/dbraw/zinc/07/38/23/175073823.db2.gz KDBFFYKCOVMGMZ-ZIAGYGMSSA-N 2 0 269.433 1.469 10 0 CDAERP CC[NH2+][C@@H]1CCCCC[C@@H]1N1CCC[N@H+](C)CC1 ZINC000043818324 175112975 /nfs/dbraw/zinc/11/29/75/175112975.db2.gz GCBNQTPJHYZWMH-CABCVRRESA-N 2 0 253.434 1.935 10 0 CDAERP C[NH2+][C@@H]1c2ccccc2C[C@@H]1N1CC[NH+](C(C)C)CC1 ZINC000043896939 175120009 /nfs/dbraw/zinc/12/00/09/175120009.db2.gz PDAJAWALFJSQKD-DLBZAZTESA-N 2 0 273.424 1.898 10 0 CDAERP CC[NH2+][C@@H](C)CN1CCC([NH+]2CCCCC2)CC1 ZINC000043907839 175123423 /nfs/dbraw/zinc/12/34/23/175123423.db2.gz UBTMVPDQWLXCFB-AWEZNQCLSA-N 2 0 253.434 1.935 10 0 CDAERP CC[NH+]1CCC(C[NH2+][C@@H](C)C(=O)NCC(C)C)CC1 ZINC000044518629 175190903 /nfs/dbraw/zinc/19/09/03/175190903.db2.gz HNMCYBUIDUDDTB-ZDUSSCGKSA-N 2 0 269.433 1.469 10 0 CDAERP CC[C@@H]1CCN(C[C@@H]2CCCC[N@@H+]2C)CCC[NH2+]1 ZINC000044564195 175207395 /nfs/dbraw/zinc/20/73/95/175207395.db2.gz XAJUWAHATOPILE-CABCVRRESA-N 2 0 253.434 1.935 10 0 CDAERP CC[NH+](CC)CCC[C@@H](C)NC(=O)C1(C[NH3+])CCOCC1 ZINC000044762222 175246439 /nfs/dbraw/zinc/24/64/39/175246439.db2.gz IOLSTYFUSMPMTJ-CQSZACIVSA-N 2 0 299.459 1.369 10 0 CDAERP CC[N@H+](CCC[C@](C)([NH3+])C(N)=O)C1CCCCC1 ZINC000045372401 175364842 /nfs/dbraw/zinc/36/48/42/175364842.db2.gz XVWCLEYQBDDUPB-AWEZNQCLSA-N 2 0 255.406 1.624 10 0 CDAERP CC[NH2+][C@](C)(CCCC[N@H+](CC)[C@@H](C)COC)C(N)=O ZINC000045421118 175379829 /nfs/dbraw/zinc/37/98/29/175379829.db2.gz GVINMSKIGLOFDA-DZGCQCFKSA-N 2 0 287.448 1.367 10 0 CDAERP CCC[NH2+][C@H]1CCCN([C@H](C)C[NH+]2CCCC2)C1=O ZINC000071033570 176024011 /nfs/dbraw/zinc/02/40/11/176024011.db2.gz NMRGTBRLFBIMRJ-KGLIPLIRSA-N 2 0 267.417 1.461 10 0 CDAERP CC(C)[NH+](CCN1CC[C@H]([NH2+]C2CC2)C1=O)C(C)C ZINC000071036152 176025191 /nfs/dbraw/zinc/02/51/91/176025191.db2.gz ADSABKOOUKRYNU-AWEZNQCLSA-N 2 0 267.417 1.458 10 0 CDAERP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)c2c(C)nn(C)c2C)C1 ZINC000071142606 176039896 /nfs/dbraw/zinc/03/98/96/176039896.db2.gz WTKVKXLINUEFSS-QWHCGFSZSA-N 2 0 250.390 1.639 10 0 CDAERP C[NH2+]C[C@@H]1CC[N@H+](CCC(=O)NC2CCCCC2)C1 ZINC000071146612 176042354 /nfs/dbraw/zinc/04/23/54/176042354.db2.gz RYPIEEDKZZQAGV-ZDUSSCGKSA-N 2 0 267.417 1.367 10 0 CDAERP CC[C@H]([NH3+])[C@@H](c1ccccn1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188102 176062862 /nfs/dbraw/zinc/06/28/62/176062862.db2.gz DAOGBQMZTVUTPZ-YCPHGPKFSA-N 2 0 276.428 1.744 10 0 CDAERP C[NH2+]Cc1cc(F)ccc1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071190063 176065239 /nfs/dbraw/zinc/06/52/39/176065239.db2.gz DCQSSVMFVQWLLP-GFCCVEGCSA-N 2 0 265.376 1.933 10 0 CDAERP C[NH2+]Cc1c(N(C)C[C@H]2CC[N@H+](C)C2)nc2ccccn21 ZINC000071190080 176065269 /nfs/dbraw/zinc/06/52/69/176065269.db2.gz YOMOCLMUXQFSDQ-ZDUSSCGKSA-N 2 0 287.411 1.442 10 0 CDAERP CC[NH2+]Cc1ccnc(N(C)C[C@H]2CC[N@H+](C)C2)c1 ZINC000071191711 176071853 /nfs/dbraw/zinc/07/18/53/176071853.db2.gz QVHOWHWWHNPGRP-AWEZNQCLSA-N 2 0 262.401 1.579 10 0 CDAERP CC[NH2+]Cc1ccc(CN(C)C[C@H]2CC[N@H+](C)C2)o1 ZINC000071191955 176071895 /nfs/dbraw/zinc/07/18/95/176071895.db2.gz VFSRPRLRHGMWOH-ZDUSSCGKSA-N 2 0 265.401 1.773 10 0 CDAERP C[C@@H]1CC[C@@H](C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)C[C@@H]1[NH3+] ZINC000071193259 176075455 /nfs/dbraw/zinc/07/54/55/176075455.db2.gz OWARPJRHRSXCRT-SYQHCUMBSA-N 2 0 267.417 1.160 10 0 CDAERP CC(C)[NH+](CCN1CC[C@@H]([NH2+]C2CC2)C1)C(C)C ZINC000071197769 176076802 /nfs/dbraw/zinc/07/68/02/176076802.db2.gz GGQKYWYKQNQXHV-OAHLLOKOSA-N 2 0 253.434 1.932 10 0 CDAERP C[NH+](C)CC(C)(C)CN1CCC[C@H]([NH2+]C2CC2)C1 ZINC000071197762 176076867 /nfs/dbraw/zinc/07/68/67/176076867.db2.gz JGBAVNLQEITRFW-AWEZNQCLSA-N 2 0 253.434 1.791 10 0 CDAERP C[N@H+](CCN1CC[C@H]([NH2+]C2CC2)C1)C1CCCC1 ZINC000071199887 176077084 /nfs/dbraw/zinc/07/70/84/176077084.db2.gz RPISLTDGVZVSMG-AWEZNQCLSA-N 2 0 251.418 1.687 10 0 CDAERP CCC[NH2+][C@H]1CCCN(C[C@@H]2CCCC[N@@H+]2C)C1 ZINC000071200680 176077806 /nfs/dbraw/zinc/07/78/06/176077806.db2.gz UZJWHQSQHVUUQK-GJZGRUSLSA-N 2 0 253.434 1.935 10 0 CDAERP CC[NH2+][C@H]1CCCN(CC2CC[NH+](CC)CC2)C1 ZINC000071200985 176077825 /nfs/dbraw/zinc/07/78/25/176077825.db2.gz VFFSONRIBLNVQO-HNNXBMFYSA-N 2 0 253.434 1.792 10 0 CDAERP CC(C)(O)C[NH+]1CCN([C@@H](CC[NH3+])c2ccccc2)CC1 ZINC000071380528 176144907 /nfs/dbraw/zinc/14/49/07/176144907.db2.gz UTAQWHMDHCWTHL-INIZCTEOSA-N 2 0 291.439 1.465 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NCC[NH+]1CCCCC1 ZINC000078988374 177412246 /nfs/dbraw/zinc/41/22/46/177412246.db2.gz TXULFVKJFHHXMR-CQSZACIVSA-N 2 0 284.448 1.502 10 0 CDAERP C[C@H](CC[NH3+])CCC(=O)N(C)CC[NH+]1CCCC1 ZINC000079120022 177437636 /nfs/dbraw/zinc/43/76/36/177437636.db2.gz HEHJTJLVFVRKNF-ZDUSSCGKSA-N 2 0 255.406 1.306 10 0 CDAERP CC[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CC1 ZINC001665872397 1173078616 /nfs/dbraw/zinc/07/86/16/1173078616.db2.gz QKQZYKCDSRYCHC-UONOGXRCSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000418704254 298986884 /nfs/dbraw/zinc/98/68/84/298986884.db2.gz RDMSJQCBTRMAIW-KBPBESRZSA-N 2 0 292.427 1.496 10 0 CDAERP CC(C)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001666172292 1173115496 /nfs/dbraw/zinc/11/54/96/1173115496.db2.gz FFDZUPQUNYPIJC-JKSUJKDBSA-N 2 0 295.471 1.812 10 0 CDAERP COCC[NH2+]C[C@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001666629451 1173163991 /nfs/dbraw/zinc/16/39/91/1173163991.db2.gz IFFDTSAQQKXHAF-LSDHHAIUSA-N 2 0 299.459 1.239 10 0 CDAERP COc1ccc(OC)c(CN2CCCO[C@H](C[NH3+])C2)c1 ZINC000313359638 260287596 /nfs/dbraw/zinc/28/75/96/260287596.db2.gz RXWMJTRZOMYRPW-CQSZACIVSA-N 2 0 280.368 1.253 10 0 CDAERP C[NH+](C)CCC[C@@H]1C[N@H+](CCC2(O)CCC2)CCO1 ZINC000662326354 423957841 /nfs/dbraw/zinc/95/78/41/423957841.db2.gz SBBFCKVFLDGTMQ-CQSZACIVSA-N 2 0 270.417 1.334 10 0 CDAERP CCN(C(=O)NC[C@H](C)C[NH+]1CCCC1)[C@@H]1CC[N@H+](C)C1 ZINC000663734865 423987944 /nfs/dbraw/zinc/98/79/44/423987944.db2.gz CNOSKHBMUJZJKI-LSDHHAIUSA-N 2 0 296.459 1.454 10 0 CDAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCc1ccc(C[NH3+])cc1F ZINC000652214581 424067188 /nfs/dbraw/zinc/06/71/88/424067188.db2.gz KOZOVLKZULWFMI-IINYFYTJSA-N 2 0 294.374 1.082 10 0 CDAERP CC(C)[NH2+][C@H]1CCCN(C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652241309 424124446 /nfs/dbraw/zinc/12/44/46/424124446.db2.gz CXJKNRHEDVGPPB-ZDUSSCGKSA-N 2 0 282.432 1.287 10 0 CDAERP CC(C)(C)[N@@H+]1CCCN(C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652242382 424124483 /nfs/dbraw/zinc/12/44/83/424124483.db2.gz KDFPHNAVAFBIMQ-UHFFFAOYSA-N 2 0 296.459 1.631 10 0 CDAERP Cc1cc(C[N@H+]2CC[C@H](c3nccn3C)C2)ncn1 ZINC000653590649 424304900 /nfs/dbraw/zinc/30/49/00/424304900.db2.gz RQTPURMWABXJEP-LBPRGKRZSA-N 2 0 257.341 1.508 10 0 CDAERP CCOCCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652362830 424312816 /nfs/dbraw/zinc/31/28/16/424312816.db2.gz RAQNOQSQUSANQE-ZNMIVQPWSA-N 2 0 270.417 1.774 10 0 CDAERP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CCOCC2CC2)C1 ZINC000652362238 424313056 /nfs/dbraw/zinc/31/30/56/424313056.db2.gz ASCUBWMAPACBHF-OWCLPIDISA-N 2 0 282.428 1.774 10 0 CDAERP O=C([C@@H]1CCC[NH2+]CC1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000653125884 424317459 /nfs/dbraw/zinc/31/74/59/424317459.db2.gz AWKQIPYKCBOZAY-KFWWJZLASA-N 2 0 279.428 1.367 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC[C@@H]([NH3+])C(C)C)C[C@@H]1C ZINC000659620187 424414131 /nfs/dbraw/zinc/41/41/31/424414131.db2.gz BZGSQXWCJLSHPP-RRFJBIMHSA-N 2 0 298.475 1.874 10 0 CDAERP C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000400953419 424418091 /nfs/dbraw/zinc/41/80/91/424418091.db2.gz YRBTULWUXVBITF-JSGCOSHPSA-N 2 0 267.417 1.352 10 0 CDAERP C[NH+](C)CCCC[NH2+]Cc1cc2n(n1)CCCC2 ZINC000655721084 424516931 /nfs/dbraw/zinc/51/69/31/424516931.db2.gz KPMDEIGUHUUMNS-UHFFFAOYSA-N 2 0 250.390 1.651 10 0 CDAERP COC[C@H](CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)OC ZINC000665234768 424467492 /nfs/dbraw/zinc/46/74/92/424467492.db2.gz KACVIZCTOQYVIH-XUWVNRHRSA-N 2 0 284.444 1.938 10 0 CDAERP C[C@@H]1CC[C@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)CS1 ZINC000655763322 424477846 /nfs/dbraw/zinc/47/78/46/424477846.db2.gz NFGZTHJCHXHLAX-KGLIPLIRSA-N 2 0 285.501 1.886 10 0 CDAERP C[NH2+]C[C@@H](C)NC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000662965366 424577398 /nfs/dbraw/zinc/57/73/98/424577398.db2.gz PTRAERGJBUCAPL-CYBMUJFWSA-N 2 0 289.423 1.566 10 0 CDAERP C[C@H]1C[NH+](CCCc2cncn2C)C[C@H](C)C1O ZINC000661623308 424611403 /nfs/dbraw/zinc/61/14/03/424611403.db2.gz ZGLHSELTLRHMOT-RYUDHWBXSA-N 2 0 251.374 1.301 10 0 CDAERP C[C@H](CC(=O)N[C@@H](C[NH3+])C(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000655504368 424666485 /nfs/dbraw/zinc/66/64/85/424666485.db2.gz ARVYCQJTPSDEGN-UTLUCORTSA-N 2 0 281.322 1.018 10 0 CDAERP C[C@@H]([NH2+]CC(C)(C)O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185672560 270258494 /nfs/dbraw/zinc/25/84/94/270258494.db2.gz OXTGDUGMCHQJFE-CHWSQXEVSA-N 2 0 254.418 2.000 10 0 CDAERP C[N@H+](CCCO)C1CCN(C[C@H](O)CC(F)(F)F)CC1 ZINC000189325692 270276555 /nfs/dbraw/zinc/27/65/55/270276555.db2.gz XFYCJGVHQCYDBP-GFCCVEGCSA-N 2 0 298.349 1.078 10 0 CDAERP CCC[C@H](C(=O)NCC1CC[NH+](C)CC1)[NH+](C)C ZINC000130365008 279637380 /nfs/dbraw/zinc/63/73/80/279637380.db2.gz FFJOLUMPPAWLJP-CYBMUJFWSA-N 2 0 255.406 1.175 10 0 CDAERP C(C[NH2+]C1CCCCCC1)N[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423282635 275393898 /nfs/dbraw/zinc/39/38/98/275393898.db2.gz CZNMOVDCFFKJAM-IRXDYDNUSA-N 2 0 295.471 1.655 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCCC[C@H]1C ZINC000349116468 276009825 /nfs/dbraw/zinc/00/98/25/276009825.db2.gz GXVZMJPCWFMUCZ-CABCVRRESA-N 2 0 281.444 1.851 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000232923857 276106645 /nfs/dbraw/zinc/10/66/45/276106645.db2.gz KTKPXYYFOJNSLO-CABCVRRESA-N 2 0 293.455 1.851 10 0 CDAERP CC(=O)[C@@](C)(O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000347736052 277097614 /nfs/dbraw/zinc/09/76/14/277097614.db2.gz NRNVVSSPWHRFHI-HNNXBMFYSA-N 2 0 268.401 1.134 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCC(C)(C)CO)[C@H]2CCC[C@@H]21 ZINC000453286176 277170486 /nfs/dbraw/zinc/17/04/86/277170486.db2.gz XPZVMSPDMGYXDQ-RDBSUJKOSA-N 2 0 254.418 1.857 10 0 CDAERP CC(C)(C)[C@H]([NH3+])C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000040469159 277247907 /nfs/dbraw/zinc/24/79/07/277247907.db2.gz ZENBZXKDRLSTDB-CYBMUJFWSA-N 2 0 267.417 1.447 10 0 CDAERP C[C@H](CN1CCCC1=O)[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353393869 278185221 /nfs/dbraw/zinc/18/52/21/278185221.db2.gz KJOXSGVCYUFZJG-TUVASFSCSA-N 2 0 279.428 1.460 10 0 CDAERP C[C@H](CN[C@H]1C[N@H+](C)C[C@H]1C)C[NH+]1CCCCC1 ZINC000343397069 278211302 /nfs/dbraw/zinc/21/13/02/278211302.db2.gz BRDRDEAJLAKXBU-KFWWJZLASA-N 2 0 253.434 1.648 10 0 CDAERP C[C@@H](C[C@H]1COCC[NH2+]1)NC1CC([NH+]2CCCCC2)C1 ZINC000423094123 278294931 /nfs/dbraw/zinc/29/49/31/278294931.db2.gz JLTFOUXECDXDJW-UIDBIOKJSA-N 2 0 281.444 1.360 10 0 CDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC2=CCCOC2)CC1 ZINC000121143444 278395163 /nfs/dbraw/zinc/39/51/63/278395163.db2.gz HWCYIINVMZYNPB-CQSZACIVSA-N 2 0 282.428 1.358 10 0 CDAERP C[C@@H]1CC[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)[C@H](n2cncn2)C1 ZINC000333308755 278587462 /nfs/dbraw/zinc/58/74/62/278587462.db2.gz RHNUJJGBBGJRIG-RBSFLKMASA-N 2 0 291.443 1.987 10 0 CDAERP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)CC[C@@H]1CCCC[NH+]1C ZINC000355609565 279081135 /nfs/dbraw/zinc/08/11/35/279081135.db2.gz CNFXQUNSDSDOFC-KFWWJZLASA-N 2 0 281.444 1.802 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)C1CC1 ZINC000226397624 279203848 /nfs/dbraw/zinc/20/38/48/279203848.db2.gz HKYUFNATVRGZMG-QEJZJMRPSA-N 2 0 279.428 1.508 10 0 CDAERP CCC(CC)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000077751376 279231736 /nfs/dbraw/zinc/23/17/36/279231736.db2.gz AYHOERVHLUCOMC-UHFFFAOYSA-N 2 0 272.437 1.310 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000341056963 279352457 /nfs/dbraw/zinc/35/24/57/279352457.db2.gz JDJYNJRPPNZXAJ-ZIAGYGMSSA-N 2 0 269.433 1.706 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000252442420 280098811 /nfs/dbraw/zinc/09/88/11/280098811.db2.gz ZWTNWFYHCUAFFR-KGLIPLIRSA-N 2 0 282.432 1.206 10 0 CDAERP CCN(C)C(=O)CC[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000245698678 280228413 /nfs/dbraw/zinc/22/84/13/280228413.db2.gz SYTAVUBANQZEFT-KBPBESRZSA-N 2 0 269.433 1.517 10 0 CDAERP C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1CCC[NH+]1[C@@H](C)CC(O)C[C@@H]1C ZINC000248747132 280378980 /nfs/dbraw/zinc/37/89/80/280378980.db2.gz FQWCDUIMRAIDIX-JGFGOLAASA-N 2 0 298.471 1.844 10 0 CDAERP OC1(C(F)(F)F)CCC([NH2+][C@H]2CCCC[NH2+]C2)CC1 ZINC000335498943 280398481 /nfs/dbraw/zinc/39/84/81/280398481.db2.gz ZJBLYQIMQPGNTE-CXQJBGSLSA-N 2 0 280.334 1.954 10 0 CDAERP CCO[C@@H]1C[C@@H]([NH2+]C2CCC(C[NH3+])CC2)[C@@H]1n1cccn1 ZINC000517356271 281000113 /nfs/dbraw/zinc/00/01/13/281000113.db2.gz WLUQQAKIHKLFIP-PEHJNBARSA-N 2 0 292.427 1.709 10 0 CDAERP CC1(C)NC(=O)CC[C@@H]1[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000335488202 281385564 /nfs/dbraw/zinc/38/55/64/281385564.db2.gz OYJRFRHXKWUHOQ-FZMZJTMJSA-N 2 0 253.390 1.023 10 0 CDAERP C[NH+](C)C1(CN[C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CCCC1 ZINC000422791408 282043327 /nfs/dbraw/zinc/04/33/27/282043327.db2.gz VEXMUWYAMUSFAY-CABCVRRESA-N 2 0 281.444 1.217 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@H]2CCCCC[NH2+]2)CC1 ZINC000080994225 282050045 /nfs/dbraw/zinc/05/00/45/282050045.db2.gz HEMFEQTYODVIMV-CYBMUJFWSA-N 2 0 253.390 1.071 10 0 CDAERP CC[C@]1(C(=O)N[C@H](CC(C)C)C[NH+](C)C)CC[NH2+]C1 ZINC000062891508 288429722 /nfs/dbraw/zinc/42/97/22/288429722.db2.gz YFBGAZWJADMYIY-HIFRSBDPSA-N 2 0 269.433 1.469 10 0 CDAERP CC[NH+](CC)CCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC000542787698 289562553 /nfs/dbraw/zinc/56/25/53/289562553.db2.gz LIPDDGLBCPGRLT-UHFFFAOYSA-N 2 0 278.400 1.366 10 0 CDAERP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(NC(N)=O)cc1 ZINC000133727910 290007870 /nfs/dbraw/zinc/00/78/70/290007870.db2.gz SRSPIMSIEGWIHI-WCQYABFASA-N 2 0 276.384 1.970 10 0 CDAERP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(S(N)(=O)=O)cc1 ZINC000222931481 290048239 /nfs/dbraw/zinc/04/82/39/290048239.db2.gz RURSQWULQAFBKR-UHTWSYAYSA-N 2 0 297.424 1.255 10 0 CDAERP CC[N@H+](C)C[C@@H](O)CN1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000555880259 290243765 /nfs/dbraw/zinc/24/37/65/290243765.db2.gz JIIONSYNPRMEBH-OWCLPIDISA-N 2 0 283.460 1.246 10 0 CDAERP C[C@@H](CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)[N@H+](C)C1CC1 ZINC000564551414 293370225 /nfs/dbraw/zinc/37/02/25/293370225.db2.gz XWFGAQKCRFNMPJ-BBRMVZONSA-N 2 0 294.443 1.254 10 0 CDAERP CCc1nncn1CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000570233176 294200718 /nfs/dbraw/zinc/20/07/18/294200718.db2.gz QKRUGGWXOXRCTD-BFHYXJOUSA-N 2 0 277.416 1.303 10 0 CDAERP COc1ccc([C@H](N[C@@H](C)C[NH3+])[C@H]2CCC[NH2+]2)cc1 ZINC000423407153 295245375 /nfs/dbraw/zinc/24/53/75/295245375.db2.gz VLVSIPDOPRDKGO-GLQYFDAESA-N 2 0 263.385 1.425 10 0 CDAERP O=C(c1ccc2c(c1)CC[NH2+]CC2)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000336416628 304537152 /nfs/dbraw/zinc/53/71/52/304537152.db2.gz RRZFRRKBRTYXRT-KRWDZBQOSA-N 2 0 299.418 1.341 10 0 CDAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000416795469 300324108 /nfs/dbraw/zinc/32/41/08/300324108.db2.gz TYIJGPXSJLKSEI-AAEUAGOBSA-N 2 0 296.459 1.593 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000417678806 300675648 /nfs/dbraw/zinc/67/56/48/300675648.db2.gz KCWJBXPMNXZBFF-RWMBFGLXSA-N 2 0 284.448 1.484 10 0 CDAERP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C(F)F ZINC000300555439 304840892 /nfs/dbraw/zinc/84/08/92/304840892.db2.gz OPPJZHDPSMNYMY-IRCOFANPSA-N 2 0 262.344 1.513 10 0 CDAERP CN(CCC[NH2+]C/C=C/Cl)C(=O)C12CCC[NH+]1CCC2 ZINC001670162494 1173658935 /nfs/dbraw/zinc/65/89/35/1173658935.db2.gz XCCQAZXACXEORW-XBXARRHUSA-N 2 0 299.846 1.805 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000563373646 316277355 /nfs/dbraw/zinc/27/73/55/316277355.db2.gz JDIMBDVPSKLORG-GJZGRUSLSA-N 2 0 279.428 1.415 10 0 CDAERP CC(C)(C)[NH2+]CCNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000569690558 316828041 /nfs/dbraw/zinc/82/80/41/316828041.db2.gz GMGUJJKSJUFYJP-CHWSQXEVSA-N 2 0 269.433 1.788 10 0 CDAERP CC[NH+]1CCC(CC[NH2+][C@@H](C)CS(=O)(=O)CC)CC1 ZINC000183031675 323315268 /nfs/dbraw/zinc/31/52/68/323315268.db2.gz JKRLRFVKCNRIKB-ZDUSSCGKSA-N 2 0 290.473 1.521 10 0 CDAERP CN(C(=O)NC1CC([NH+]2CCCCC2)C1)C1CC([NH3+])C1 ZINC000580293534 324422964 /nfs/dbraw/zinc/42/29/64/324422964.db2.gz YJQOWFOUEFVUAH-UHFFFAOYSA-N 2 0 280.416 1.134 10 0 CDAERP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000583879865 325260282 /nfs/dbraw/zinc/26/02/82/325260282.db2.gz FHQOJVZYVYAKCV-KFWWJZLASA-N 2 0 270.417 1.048 10 0 CDAERP C[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1=CC[NH+](C)CC1 ZINC000583880671 325260358 /nfs/dbraw/zinc/26/03/58/325260358.db2.gz GGJWSSKYYBWAFT-QWHCGFSZSA-N 2 0 265.401 1.095 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN[C@H]1CC[NH2+]C[C@@H]1C ZINC000583982169 325278457 /nfs/dbraw/zinc/27/84/57/325278457.db2.gz YMFWUKKCJHGNMU-LRDDRELGSA-N 2 0 285.395 1.663 10 0 CDAERP C[NH+]1CCC(NC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000250572071 1159266223 /nfs/dbraw/zinc/26/62/23/1159266223.db2.gz DYZVRZNWRXJNQI-YUELXQCFSA-N 2 0 279.428 1.508 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]1CC[N@H+](CC2CC2)C1)[NH+](C)C ZINC001481098769 1159523096 /nfs/dbraw/zinc/52/30/96/1159523096.db2.gz HJXKYHUUBLQFPI-UONOGXRCSA-N 2 0 267.417 1.175 10 0 CDAERP C[N@H+](CC(=O)NC/C=C\C[NH2+]CC1CCCC1)C1CCC1 ZINC001268550086 1159968387 /nfs/dbraw/zinc/96/83/87/1159968387.db2.gz MEPPCXIYKCDHEV-PLNGDYQASA-N 2 0 293.455 1.923 10 0 CDAERP [NH3+]C[C@H](C(=O)N[C@H]1CCC[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000358854450 482479513 /nfs/dbraw/zinc/47/95/13/482479513.db2.gz KCZHVWXXBJNUFO-IHRRRGAJSA-N 2 0 279.359 1.254 10 0 CDAERP CC[NH+](CC)CC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000653184192 482482958 /nfs/dbraw/zinc/48/29/58/482482958.db2.gz NNJXXMALMNVHEW-ZNMIVQPWSA-N 2 0 297.443 1.073 10 0 CDAERP CN1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000671742431 482541474 /nfs/dbraw/zinc/54/14/74/482541474.db2.gz PDLDHXAMAAXZIX-GBJTYRQASA-N 2 0 251.418 1.543 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC/C=C\C[NH3+])C1 ZINC000669365994 482747427 /nfs/dbraw/zinc/74/74/27/482747427.db2.gz AXPCXGFELPLCDB-JQBDECOXSA-N 2 0 296.459 1.559 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]2COCC[C@@H]21 ZINC000659996820 482804407 /nfs/dbraw/zinc/80/44/07/482804407.db2.gz DOZUVTFRQAHHAJ-KKUMJFAQSA-N 2 0 270.417 1.188 10 0 CDAERP CC(C)(CC[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1)C1CC1 ZINC000406013484 482878593 /nfs/dbraw/zinc/87/85/93/482878593.db2.gz XFJRBAHVRLZSBZ-ZDUSSCGKSA-N 2 0 281.444 1.600 10 0 CDAERP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CCC[C@H](O)C3)CC[C@@H]21 ZINC000381715420 482896148 /nfs/dbraw/zinc/89/61/48/482896148.db2.gz KDDZXIYTBWKOFK-WCVJEAGWSA-N 2 0 266.429 1.954 10 0 CDAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000667999144 482992217 /nfs/dbraw/zinc/99/22/17/482992217.db2.gz WEKHVNYOCUFCMV-FVQBIDKESA-N 2 0 281.444 1.170 10 0 CDAERP C[C@H](C(=O)NC1CC([NH+](C)C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000670445798 482993639 /nfs/dbraw/zinc/99/36/39/482993639.db2.gz RTBOUKRCNROUHD-LYGKVCMISA-N 2 0 267.417 1.457 10 0 CDAERP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H]1CCNC1=O ZINC000669621377 483236904 /nfs/dbraw/zinc/23/69/04/483236904.db2.gz NKGJPVVUEDUKBE-OAHLLOKOSA-N 2 0 275.396 1.459 10 0 CDAERP C[NH+](C)C1CCN(Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667517147 483322895 /nfs/dbraw/zinc/32/28/95/483322895.db2.gz UIQNMRQMFJHWHD-UHFFFAOYSA-N 2 0 285.395 1.793 10 0 CDAERP COC1(C[C@@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)CCC1 ZINC000683228127 483451035 /nfs/dbraw/zinc/45/10/35/483451035.db2.gz VDRNDEHIPBVRFB-OAHLLOKOSA-N 2 0 297.487 1.950 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[N@H+](C)C2)CCCCC1 ZINC000683846312 483652662 /nfs/dbraw/zinc/65/26/62/483652662.db2.gz UYKJXOJOAAOABF-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]Cc1ccccn1 ZINC001409451260 1160829454 /nfs/dbraw/zinc/82/94/54/1160829454.db2.gz FOCORENNMMUTRB-UONOGXRCSA-N 2 0 290.411 1.160 10 0 CDAERP C[C@H](O)C[NH2+]C[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001483242275 1160878469 /nfs/dbraw/zinc/87/84/69/1160878469.db2.gz CXWZKDSIAFYSDD-STQMWFEESA-N 2 0 299.459 1.115 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000049220587 519793425 /nfs/dbraw/zinc/79/34/25/519793425.db2.gz YSJKNGGFYREOCH-LSDHHAIUSA-N 2 0 277.412 1.259 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@@H](C)C[NH2+]CC)CC1 ZINC000061267172 519845711 /nfs/dbraw/zinc/84/57/11/519845711.db2.gz AMJNSVKANJVWOY-LBPRGKRZSA-N 2 0 255.406 1.223 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000061272289 520164673 /nfs/dbraw/zinc/16/46/73/520164673.db2.gz RRVOLPHIIPHVPI-CHWSQXEVSA-N 2 0 253.390 1.071 10 0 CDAERP CCC[C@@]1(C(=O)NCCC[NH+](C)C)CCC[NH2+]C1 ZINC000062852626 520942603 /nfs/dbraw/zinc/94/26/03/520942603.db2.gz XHTRARPQWYNRHY-CQSZACIVSA-N 2 0 255.406 1.224 10 0 CDAERP CCCN(CC[NH+](C)C)Cc1ccc(C[NH2+]C)o1 ZINC000052544176 521657350 /nfs/dbraw/zinc/65/73/50/521657350.db2.gz QJKZAHIDGOWARG-UHFFFAOYSA-N 2 0 253.390 1.773 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1CCC[NH2+]C1CCCC1 ZINC000061655075 521864979 /nfs/dbraw/zinc/86/49/79/521864979.db2.gz IYJMVWLRMJFLKV-OAHLLOKOSA-N 2 0 253.434 1.935 10 0 CDAERP C[NH2+]C(C)(C)C(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000061331473 521931088 /nfs/dbraw/zinc/93/10/88/521931088.db2.gz SNOCAUBWGOZKTI-UHFFFAOYSA-N 2 0 255.406 1.316 10 0 CDAERP CC(C)[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001717478731 1180698075 /nfs/dbraw/zinc/69/80/75/1180698075.db2.gz YXULCZRUOWLPET-CHWSQXEVSA-N 2 0 255.406 1.316 10 0 CDAERP CC(C)[N@H+]1CC=C(CNC(=O)CC[NH+](C)C)CC1 ZINC001734631003 1183854336 /nfs/dbraw/zinc/85/43/36/1183854336.db2.gz DKVAYUAQLUNVTB-UHFFFAOYSA-N 2 0 253.390 1.095 10 0 CDAERP C(CN1CC[C@@H]([NH+]2CCCCC2)C1)[NH2+]CC1CC1 ZINC000062974809 518392224 /nfs/dbraw/zinc/39/22/24/518392224.db2.gz SLJWGPLJPOZPBB-OAHLLOKOSA-N 2 0 251.418 1.546 10 0 CDAERP CC(C)[N@H+](C)CCCCNC(=O)[C@@H]1[C@@H](C)CCC[C@@H]1[NH3+] ZINC000055139121 519614131 /nfs/dbraw/zinc/61/41/31/519614131.db2.gz NLQIGSZLZGXVLW-SOUVJXGZSA-N 2 0 283.460 1.987 10 0 CDAERP CC(C)[N@H+](C)CCCCNC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000061613200 519614312 /nfs/dbraw/zinc/61/43/12/519614312.db2.gz DECWORNZILRMIS-INIZCTEOSA-N 2 0 291.439 1.966 10 0 CDAERP CC(C)CCC[NH2+]CCN1CC[NH+](C2CC2)CC1 ZINC000053446282 519641419 /nfs/dbraw/zinc/64/14/19/519641419.db2.gz LRTLYKFFPOCFKQ-UHFFFAOYSA-N 2 0 253.434 1.792 10 0 CDAERP CC(C)[NH+](CCNC(=O)[C@H]1C[C@H]([NH3+])CC[C@@H]1C)C(C)C ZINC000055125042 519648189 /nfs/dbraw/zinc/64/81/89/519648189.db2.gz RJNGUAHAMVLBNE-ZNMIVQPWSA-N 2 0 283.460 1.985 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)[C@@H]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC000055134726 519715828 /nfs/dbraw/zinc/71/58/28/519715828.db2.gz OLUFIYXYIXRJAU-KFWWJZLASA-N 2 0 283.460 1.796 10 0 CDAERP CC(C)[NH2+]C[C@H](C)CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062942499 519724369 /nfs/dbraw/zinc/72/43/69/519724369.db2.gz HYOMFWJNBTUBBN-LSDHHAIUSA-N 2 0 253.434 1.791 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000055082577 519724938 /nfs/dbraw/zinc/72/49/38/519724938.db2.gz IDXLSHQVJOLBMX-UONOGXRCSA-N 2 0 267.417 1.175 10 0 CDAERP CC(C)[NH2+]C[C@H]1CC[C@H](CN2CC[NH+](C(C)(C)C)CC2)O1 ZINC000052571698 519725885 /nfs/dbraw/zinc/72/58/85/519725885.db2.gz HUMZZTNLMACFHE-HZPDHXFCSA-N 2 0 297.487 1.948 10 0 CDAERP CC(C)[NH2+]Cc1ccccc1CN1CC[NH+](C)CC1 ZINC000052379583 519727935 /nfs/dbraw/zinc/72/79/35/519727935.db2.gz ZKNXIGYWRQXUBT-UHFFFAOYSA-N 2 0 261.413 1.932 10 0 CDAERP CC(C)C[NH+]1CCN([C@H]2Cc3ccccc3[C@H]2[NH3+])CC1 ZINC000055079027 519728567 /nfs/dbraw/zinc/72/85/67/519728567.db2.gz YWKGAKAWNHBBSK-DLBZAZTESA-N 2 0 273.424 1.885 10 0 CDAERP CC(C)C[NH2+]CC[C@H](C)N1CC[NH+](C2CC2)CC1 ZINC000052371445 519744590 /nfs/dbraw/zinc/74/45/90/519744590.db2.gz JGAWMFIFTNTCLW-AWEZNQCLSA-N 2 0 253.434 1.791 10 0 CDAERP CC(C)C[NH2+]Cc1ccnc(N2CC[C@H]([NH+](C)C)C2)c1 ZINC000062971133 519747973 /nfs/dbraw/zinc/74/79/73/519747973.db2.gz HIPVPJAMVSJFGK-HNNXBMFYSA-N 2 0 276.428 1.968 10 0 CDAERP CCC[NH+]1CCC(NC(=O)C[C@@H]2CCCC[NH2+]2)CC1 ZINC000049560227 519844914 /nfs/dbraw/zinc/84/49/14/519844914.db2.gz HXPOOVLRSMFHJH-AWEZNQCLSA-N 2 0 267.417 1.509 10 0 CDAERP CCC[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H](C)[C@@H]2[NH3+])CC1 ZINC000055124569 519856492 /nfs/dbraw/zinc/85/64/92/519856492.db2.gz QJBUVWIVYCQMQG-MCIONIFRSA-N 2 0 267.417 1.304 10 0 CDAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC[NH+](C)C ZINC000054629045 519911112 /nfs/dbraw/zinc/91/11/12/519911112.db2.gz UTZYECNNDGPSGS-GOOCMWNKSA-N 3 0 253.434 1.933 10 0 CDAERP CC[NH2+]CCC(=O)N[C@H](C)CCC[NH+](CC)CC ZINC000061287218 519917452 /nfs/dbraw/zinc/91/74/52/519917452.db2.gz GFMFTAZLPOONKB-CYBMUJFWSA-N 2 0 257.422 1.613 10 0 CDAERP CCC[NH2+]CC[C@H](C)[N@H+](CCCOC)CCOC ZINC000052543326 519919249 /nfs/dbraw/zinc/91/92/49/519919249.db2.gz RKIPLSIRDBMBCX-AWEZNQCLSA-N 2 0 260.422 1.750 10 0 CDAERP CCCCCC[C@H](C[NH3+])N1CCN(CC[NH+](C)C)CC1 ZINC000061643217 520135083 /nfs/dbraw/zinc/13/50/83/520135083.db2.gz KJSZCRBNZPVPES-MRXNPFEDSA-N 2 0 284.492 1.463 10 0 CDAERP CCCC[N@H+](C)CC1CCN(C(=O)C(C)(C)[NH2+]C)CC1 ZINC000061317715 520396276 /nfs/dbraw/zinc/39/62/76/520396276.db2.gz PIZXABXDOBLNTE-UHFFFAOYSA-N 2 0 283.460 1.955 10 0 CDAERP CC[NH+](CC)C1CCN(C(=O)[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000070254511 520567784 /nfs/dbraw/zinc/56/77/84/520567784.db2.gz HDCZRZQAIDYQHI-OAHLLOKOSA-N 2 0 293.455 1.709 10 0 CDAERP CC[NH+](CC)CCCCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000236845326 520591385 /nfs/dbraw/zinc/59/13/85/520591385.db2.gz OTSVYTANSCCOKW-UONOGXRCSA-N 2 0 269.433 1.742 10 0 CDAERP CC[NH+](CC)CCNC(=O)[C@H]1C[C@@H]([NH3+])CC[C@@H]1C ZINC000055122999 520680567 /nfs/dbraw/zinc/68/05/67/520680567.db2.gz IYGWYDNJMQZANG-AVGNSLFASA-N 2 0 255.406 1.208 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@]2(CC)CCC[NH2+]C2)C1 ZINC000062972568 520844493 /nfs/dbraw/zinc/84/44/93/520844493.db2.gz CSOLRWKMDQUGKI-GDBMZVCRSA-N 2 0 281.444 1.709 10 0 CDAERP CC1CC[NH+](CCNC(=O)[C@@H]2CCC[C@H](C)[C@@H]2[NH3+])CC1 ZINC000055136659 521014038 /nfs/dbraw/zinc/01/40/38/521014038.db2.gz PNYZZSUTPKMILO-ZNMIVQPWSA-N 2 0 281.444 1.598 10 0 CDAERP CCC(CC)C[N@H+](CC)CCn1cc(C[NH3+])nn1 ZINC000052540686 521520376 /nfs/dbraw/zinc/52/03/76/521520376.db2.gz PNKXSAGUFJAQCT-UHFFFAOYSA-N 2 0 253.394 1.495 10 0 CDAERP CC[NH+]1CCC(N(C)Cc2cccnc2C(N)=[NH2+])CC1 ZINC000061658297 521565635 /nfs/dbraw/zinc/56/56/35/521565635.db2.gz LVYRCLHCDAQQHG-UHFFFAOYSA-N 2 0 275.400 1.282 10 0 CDAERP CC[NH+]1CCN(CC2(C[NH2+]C(C)(C)C)CCOCC2)CC1 ZINC000052180621 521677650 /nfs/dbraw/zinc/67/76/50/521677650.db2.gz HRHQNBQNWLTLSF-UHFFFAOYSA-N 2 0 297.487 1.809 10 0 CDAERP C[NH2+]C(C)(C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000061318298 521935122 /nfs/dbraw/zinc/93/51/22/521935122.db2.gz YROJJCZFUQYHOA-HNNXBMFYSA-N 2 0 289.423 1.938 10 0 CDAERP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C1CCC(O)CC1 ZINC000054601483 521953931 /nfs/dbraw/zinc/95/39/31/521953931.db2.gz JOELKTGNFWFGJX-QRFUTXMCSA-N 2 0 252.402 1.895 10 0 CDAERP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000182835403 521954468 /nfs/dbraw/zinc/95/44/68/521954468.db2.gz PAFREQSICOCIHJ-DRPJVOAASA-N 2 0 289.423 1.921 10 0 CDAERP C[NH2+]C[C@H](c1ccccc1)N1CC[NH+](C(C)C)CC1 ZINC000052480154 522077680 /nfs/dbraw/zinc/07/76/80/522077680.db2.gz XBQANCYSXQOQOJ-MRXNPFEDSA-N 2 0 261.413 1.973 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C2(C[NH3+])CC[NH+](C(C)C)CC2)CC1 ZINC000055064622 522117305 /nfs/dbraw/zinc/11/73/05/522117305.db2.gz HEOJHGVDLLWXIB-MRXNPFEDSA-N 3 0 296.503 1.604 10 0 CDAERP C[NH2+]Cc1ccccc1OCC[N@H+](C)CCOC ZINC000052572843 522140223 /nfs/dbraw/zinc/14/02/23/522140223.db2.gz KDAKWYBOTCHYCS-UHFFFAOYSA-N 2 0 252.358 1.363 10 0 CDAERP C[NH2+]Cc1sc(N2CCC(C[NH+](C)C)CC2)nc1C ZINC000054999444 522166956 /nfs/dbraw/zinc/16/69/56/522166956.db2.gz MKJWDZLIBRIHAG-UHFFFAOYSA-N 2 0 282.457 1.949 10 0 CDAERP C[NH2+][C@H](CN1CCC(C[NH+]2CCCC2)CC1)C1CC1 ZINC000069075196 522465638 /nfs/dbraw/zinc/46/56/38/522465638.db2.gz MNGUQGRXZYNXQS-MRXNPFEDSA-N 2 0 265.445 1.792 10 0 CDAERP CN(CC[NH+]1CCCC1)C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000063052744 522822533 /nfs/dbraw/zinc/82/25/33/522822533.db2.gz PMZOKHOSMXLUDD-AWEZNQCLSA-N 2 0 267.417 1.320 10 0 CDAERP COCC[N@H+](Cc1cccnc1C[NH3+])[C@@H](C)COC ZINC000061656823 523762632 /nfs/dbraw/zinc/76/26/32/523762632.db2.gz SOTZQETVMRTZRR-LBPRGKRZSA-N 2 0 267.373 1.024 10 0 CDAERP COCC[N@@H+](Cc1ccnc(C(N)=[NH2+])c1)CC(C)C ZINC000068761504 523768350 /nfs/dbraw/zinc/76/83/50/523768350.db2.gz XRHHFRVSZMUSPA-UHFFFAOYSA-N 2 0 264.373 1.470 10 0 CDAERP CC[C@H](C)[NH+]1CCN(CC[NH2+][C@@H](C)C2CC2)CC1 ZINC000055075066 523954748 /nfs/dbraw/zinc/95/47/48/523954748.db2.gz RMLCYROUYIEXGE-KBPBESRZSA-N 2 0 253.434 1.791 10 0 CDAERP C[NH+](C)C1CCN(C(=O)C[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000055128239 524038394 /nfs/dbraw/zinc/03/83/94/524038394.db2.gz MBAKQUBJKHINJM-STQMWFEESA-N 2 0 267.417 1.447 10 0 CDAERP C[NH+](C)C1CCN(CC2(C[NH3+])CCCCC2)CC1 ZINC000051217167 524039844 /nfs/dbraw/zinc/03/98/44/524039844.db2.gz GIWBFOARSIFVCB-UHFFFAOYSA-N 2 0 253.434 1.922 10 0 CDAERP C[C@H]1CCC[C@H](C(=O)NCC2CC[NH+](C)CC2)[C@@H]1[NH3+] ZINC000055140192 524177420 /nfs/dbraw/zinc/17/74/20/524177420.db2.gz KAENHXRXSJLPSY-FPMFFAJLSA-N 2 0 267.417 1.208 10 0 CDAERP C[C@@H]1CCC[C@H](C(=O)N2CCC[C@@H]2C[NH+](C)C)[NH2+]1 ZINC000061652093 524344800 /nfs/dbraw/zinc/34/48/00/524344800.db2.gz QGWMXBSYLJDQMZ-JHJVBQTASA-N 2 0 253.390 1.070 10 0 CDAERP COc1ccccc1C[N@H+](C)CCN1CCC[NH2+]CC1 ZINC000061275247 524434141 /nfs/dbraw/zinc/43/41/41/524434141.db2.gz SUKKDVXGSJFQAN-UHFFFAOYSA-N 2 0 277.412 1.422 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@H]1C[C@@H]([NH3+])CC[C@@H]1C ZINC000055141910 524605817 /nfs/dbraw/zinc/60/58/17/524605817.db2.gz MTXQINKIEMGJLF-AJNGGQMLSA-N 2 0 281.444 1.741 10 0 CDAERP C[C@@H]([NH3+])c1cnc(N2CCC([NH+](C)C)CC2)s1 ZINC000054895689 525032455 /nfs/dbraw/zinc/03/24/55/525032455.db2.gz PGZKRKAZHNEVSS-SECBINFHSA-N 2 0 254.403 1.693 10 0 CDAERP C[C@@]([NH3+])(CO)CCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000070336856 525752160 /nfs/dbraw/zinc/75/21/60/525752160.db2.gz SGDOTMCIBKBEAX-INIZCTEOSA-N 3 0 283.460 1.284 10 0 CDAERP Cc1ccsc1C[NH2+]CCN1CC[C@@H]([NH+](C)C)C1 ZINC000062974092 525857648 /nfs/dbraw/zinc/85/76/48/525857648.db2.gz SHXUHCWGUSLQLG-CYBMUJFWSA-N 2 0 267.442 1.782 10 0 CDAERP C[C@H](c1cccs1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063178749 526155641 /nfs/dbraw/zinc/15/56/41/526155641.db2.gz VYBJDUPOKWGPPD-NEPJUHHUSA-N 2 0 281.425 1.596 10 0 CDAERP Cc1nc(C)c([C@@H](C)[NH2+]CCN2CCC[NH2+]CC2)s1 ZINC000061275431 526744248 /nfs/dbraw/zinc/74/42/48/526744248.db2.gz VQSRLVOVXFQNMH-LLVKDONJSA-N 2 0 282.457 1.706 10 0 CDAERP COCCOCC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420409373 536500242 /nfs/dbraw/zinc/50/02/42/536500242.db2.gz XATHJFTXZKDMHW-KBPBESRZSA-N 2 0 256.390 1.113 10 0 CDAERP NC(=S)CCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062052231 527107904 /nfs/dbraw/zinc/10/79/04/527107904.db2.gz BKFUNZAVWVHTMS-UHFFFAOYSA-N 2 0 269.458 1.861 10 0 CDAERP [NH3+]Cc1ccc(F)cc1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000069401643 527254789 /nfs/dbraw/zinc/25/47/89/527254789.db2.gz LEKPJDYOWBJWJT-MRXNPFEDSA-N 2 0 277.387 1.955 10 0 CDAERP O=C(NCCC[NH+]1CCCC1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000221754269 527660926 /nfs/dbraw/zinc/66/09/26/527660926.db2.gz KAFDYDFRFXAUNF-KKUMJFAQSA-N 2 0 279.428 1.509 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(C)c(F)c1 ZINC000422793523 536596069 /nfs/dbraw/zinc/59/60/69/536596069.db2.gz FQXPFLIKQVFOQY-CYBMUJFWSA-N 2 0 254.349 1.978 10 0 CDAERP COc1ccc([C@H](C[NH3+])CN2CC[C@H]([NH3+])[C@@H]2C)cc1 ZINC000420316289 536914650 /nfs/dbraw/zinc/91/46/50/536914650.db2.gz NDNBHZGTFAUQPP-LNSITVRQSA-N 2 0 263.385 1.159 10 0 CDAERP CCC[NH+](CCC)CCCC(=O)N(C)CC1C[NH+](C)C1 ZINC000618194147 538349789 /nfs/dbraw/zinc/34/97/89/538349789.db2.gz RROWJVRNSQAHPG-UHFFFAOYSA-N 2 0 283.460 1.909 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+]Cc2ccoc2)CC1 ZINC000727465592 574584899 /nfs/dbraw/zinc/58/48/99/574584899.db2.gz DSLUNXZABJAIKW-UHFFFAOYSA-N 2 0 251.374 1.397 10 0 CDAERP NC(=O)c1csc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2)c1 ZINC000188419837 570246844 /nfs/dbraw/zinc/24/68/44/570246844.db2.gz INMIUKVWERLSCR-GFCCVEGCSA-N 2 0 290.392 1.708 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCN[C@@H]1CC[NH2+]C12CCC2 ZINC000925550479 617497938 /nfs/dbraw/zinc/49/79/38/617497938.db2.gz MVWYQYZKEDTFCK-ZIAGYGMSSA-N 2 0 251.418 1.735 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CC2(CO)CCOCC2)C1 ZINC000925615734 617560575 /nfs/dbraw/zinc/56/05/75/617560575.db2.gz ICEAEXBCGLDBEN-CHWSQXEVSA-N 2 0 270.417 1.271 10 0 CDAERP C[NH+](C)C1(C)CCC([NH2+][C@@H]2C(=O)NCC2(C)C)CC1 ZINC000926795341 617578236 /nfs/dbraw/zinc/57/82/36/617578236.db2.gz GXYOKLNAYVPRHK-MQYJIDSJSA-N 2 0 267.417 1.364 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@](C)(O)c1ccc(F)cc1 ZINC000925639748 617583311 /nfs/dbraw/zinc/58/33/11/617583311.db2.gz DGLLPXXAQZTSLU-UKGMILFYSA-N 2 0 292.398 1.963 10 0 CDAERP C(C[NH2+]C1CC1)N[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925691849 617699025 /nfs/dbraw/zinc/69/90/25/617699025.db2.gz KDTJJDKKVCEDMY-LSDHHAIUSA-N 2 0 251.418 1.496 10 0 CDAERP FC(F)(F)[C@]1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCCN1 ZINC000925857267 617895877 /nfs/dbraw/zinc/89/58/77/617895877.db2.gz SKIAXIZSRUAYOO-UMSGYPCISA-N 2 0 291.361 1.649 10 0 CDAERP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)C1(S(C)(=O)=O)CC1 ZINC000925669306 617627027 /nfs/dbraw/zinc/62/70/27/617627027.db2.gz AGUBDXXSLQCYQA-SRVKXCTJSA-N 2 0 288.457 1.448 10 0 CDAERP CC1(C)[C@H]([NH2+]CCC2(O)CCOCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925670086 617627901 /nfs/dbraw/zinc/62/79/01/617627901.db2.gz HUQJBJWVZAUHNO-HZSPNIEDSA-N 2 0 282.428 1.284 10 0 CDAERP CC1(C)C[C@@H](NC[C@H]2CCC[N@@H+]2CCCO)C[C@@H]([NH3+])C1 ZINC000925679525 617650059 /nfs/dbraw/zinc/65/00/59/617650059.db2.gz JEOXAYWPEZDRSP-QLFBSQMISA-N 2 0 283.460 1.329 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000925785647 617708445 /nfs/dbraw/zinc/70/84/45/617708445.db2.gz LSINIMCKSZRJKR-QKGCVVFFSA-N 2 0 252.402 1.637 10 0 CDAERP COCC1(C[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)CC[NH2+]CC1 ZINC000925697799 617735509 /nfs/dbraw/zinc/73/55/09/617735509.db2.gz AEQIKDDUAKJVGY-BZUAXINKSA-N 2 0 296.455 1.797 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CCCCCN2CC[NH2+]CC2)[C@H](C)O1 ZINC000925847626 617883397 /nfs/dbraw/zinc/88/33/97/617883397.db2.gz SSVWGHPSLLJWBZ-ILXRZTDVSA-N 2 0 269.433 1.217 10 0 CDAERP CCC[C@@H](O)CC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925855046 617893588 /nfs/dbraw/zinc/89/35/88/617893588.db2.gz FZUYJQXLQMZKSS-MQYQWHSLSA-N 2 0 254.418 1.904 10 0 CDAERP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1(CC2CC2)CC1 ZINC000925732853 618046459 /nfs/dbraw/zinc/04/64/59/618046459.db2.gz DWBJPVQUPOQVLV-IACUBPJLSA-N 2 0 252.402 1.909 10 0 CDAERP C[N@H+](C[C@@H]1C[C@H]2COC[C@H]2O1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000930459098 618167545 /nfs/dbraw/zinc/16/75/45/618167545.db2.gz DIAAFWFLNNYBSU-KXPUDISNSA-N 2 0 280.412 1.347 10 0 CDAERP CC[C@@H]([NH3+])CNC(=O)C[C@@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000841852073 618363493 /nfs/dbraw/zinc/36/34/93/618363493.db2.gz CLLPVKBGJZKRJK-GHMZBOCLSA-N 2 0 284.791 1.287 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(O)CCCCC1 ZINC000924883983 618622591 /nfs/dbraw/zinc/62/25/91/618622591.db2.gz VBVXXFTWDPMMRM-PBWFPOADSA-N 2 0 252.402 1.611 10 0 CDAERP COC(=O)[C@@H]1[C@@H](CN2CCC[C@@H]([NH+](C)C)CC2)C1(F)F ZINC000894566307 618966255 /nfs/dbraw/zinc/96/62/55/618966255.db2.gz LXMIUWSNQFNYIE-UTUOFQBUSA-N 2 0 290.354 1.457 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2cn(C)nn2)CC1 ZINC000902791698 625405347 /nfs/dbraw/zinc/40/53/47/625405347.db2.gz XITNDYNCQCHNEH-LBPRGKRZSA-N 2 0 265.405 1.588 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902839172 625492211 /nfs/dbraw/zinc/49/22/11/625492211.db2.gz NRAJIQQFBJMTRE-UTQGOSHXSA-N 2 0 296.455 1.746 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](C)[C@@H]2C)C[C@H]1C ZINC000925323691 621537687 /nfs/dbraw/zinc/53/76/87/621537687.db2.gz AANUMNKYSZXYAS-APIJFGDWSA-N 2 0 296.459 1.593 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000866704844 621580415 /nfs/dbraw/zinc/58/04/15/621580415.db2.gz YSQPFHLHTMQTGT-HNNXBMFYSA-N 3 0 253.434 1.683 10 0 CDAERP CCO[C@@H](CNC1CC[NH+](CC)CC1)C[NH+](C)C ZINC000926966009 621636197 /nfs/dbraw/zinc/63/61/97/621636197.db2.gz UYBXZQDBJPKQHL-AWEZNQCLSA-N 2 0 257.422 1.027 10 0 CDAERP C[C@@H](NC(=[NH2+])NCC1CC[NH+](C2CC2)CC1)C1CC1 ZINC000899271413 622136561 /nfs/dbraw/zinc/13/65/61/622136561.db2.gz DGOIHJSOHPOSFI-LLVKDONJSA-N 2 0 264.417 1.773 10 0 CDAERP C[C@H](NC(=[NH2+])NCCC[N@@H+]1CCCO[C@H](C)C1)C1CC1 ZINC000899271717 622136738 /nfs/dbraw/zinc/13/67/38/622136738.db2.gz LJSUQWKGVBLHHM-OLZOCXBDSA-N 2 0 282.432 1.400 10 0 CDAERP c1c(C[C@@H]2CCC[NH2+]C2)nnn1C[C@H]1CCCC[NH2+]C1 ZINC000899742522 622403916 /nfs/dbraw/zinc/40/39/16/622403916.db2.gz ZTCDOXWPOKKKLO-KBPBESRZSA-N 2 0 277.416 1.210 10 0 CDAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[N@@H+]1CCC[C@H](C)C1 ZINC000900204629 622801184 /nfs/dbraw/zinc/80/11/84/622801184.db2.gz MFDMYOSQPODTNM-KBPBESRZSA-N 2 0 279.428 1.319 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900586154 623297347 /nfs/dbraw/zinc/29/73/47/623297347.db2.gz IDZWFPIUEDDMBO-HUUCEWRRSA-N 2 0 281.444 1.804 10 0 CDAERP C1[C@@H]2[C@H]1[C@@H]1O[C@H]2C[C@H]1[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000902453277 624836678 /nfs/dbraw/zinc/83/66/78/624836678.db2.gz OPHWQEMMDBYFJM-YNLUIRMOSA-N 2 0 276.424 1.920 10 0 CDAERP C1C[C@@H]2[NH2+][C@H]1C[C@H]2[NH2+][C@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000902469611 624863098 /nfs/dbraw/zinc/86/30/98/624863098.db2.gz YQUKXZHSWPABQF-JSLGZRHDSA-N 2 0 250.386 1.674 10 0 CDAERP CC(C)CNC(=O)C1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903430283 625989856 /nfs/dbraw/zinc/98/98/56/625989856.db2.gz RJOQPKYVQBXYHB-HIFRSBDPSA-N 2 0 281.444 1.598 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000903458637 625994386 /nfs/dbraw/zinc/99/43/86/625994386.db2.gz FXZMZUDGHGGSHJ-SYAUCNOPSA-N 3 0 281.444 1.060 10 0 CDAERP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H]1C(F)(F)F ZINC000903477897 626005609 /nfs/dbraw/zinc/00/56/09/626005609.db2.gz BGRBSECYESNLDG-CHWFTXMASA-N 3 0 265.323 1.183 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)N[C@H]2CCC[C@@H](C)[C@H]2C)C[C@H]1CC[NH3+] ZINC000903495083 626011592 /nfs/dbraw/zinc/01/15/92/626011592.db2.gz UDMLRVUELHHPEX-QCODTGAPSA-N 2 0 295.471 1.844 10 0 CDAERP C[C@]1(C2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)COC(=O)N1 ZINC000903564006 626020398 /nfs/dbraw/zinc/02/03/98/626020398.db2.gz NJHPKMVEJRKGMA-SWLSCSKDSA-N 2 0 281.400 1.197 10 0 CDAERP CC(C)(C)NC(=O)[C@H]1CCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903575052 626029603 /nfs/dbraw/zinc/02/96/03/626029603.db2.gz DOFSOHRWTQBYGK-FRRDWIJNSA-N 2 0 267.417 1.493 10 0 CDAERP C([C@@H]1C[C@H]2COC[C@H]2O1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000903750107 626072226 /nfs/dbraw/zinc/07/22/26/626072226.db2.gz UVMIKRALMVUVRE-YHUYYLMFSA-N 2 0 280.412 1.112 10 0 CDAERP C([C@H]1CCCC[N@@H+]1C[C@H]1CCCC[NH2+]C1)N1CCOCC1 ZINC000903735462 626076363 /nfs/dbraw/zinc/07/63/63/626076363.db2.gz AJCLBFIMOAVFLI-DLBZAZTESA-N 2 0 295.471 1.563 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[NH2+]C(C)(C)C(C)C)cnn1C ZINC000903897499 626136763 /nfs/dbraw/zinc/13/67/63/626136763.db2.gz DZGKCGCDRGRCGL-ZDUSSCGKSA-N 2 0 266.433 1.870 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[NH2+]C[C@@]2(C)CCCO2)cnn1C ZINC000903924843 626148875 /nfs/dbraw/zinc/14/88/75/626148875.db2.gz IMCLAZPGMQOKEK-UKRRQHHQSA-N 2 0 280.416 1.005 10 0 CDAERP FC1(F)CC[NH2+]C[C@@H]1CNCc1cnc2cnccn12 ZINC000903955183 626166273 /nfs/dbraw/zinc/16/62/73/626166273.db2.gz MEMGUXFSTRHZOH-SNVBAGLBSA-N 2 0 281.310 1.064 10 0 CDAERP CCC[NH+]1CCC(NC[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000903956739 626167205 /nfs/dbraw/zinc/16/72/05/626167205.db2.gz NUUSAFKWKXSIML-GFCCVEGCSA-N 2 0 275.387 1.695 10 0 CDAERP CCCC[C@@H](COC)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903971778 626168263 /nfs/dbraw/zinc/16/82/63/626168263.db2.gz DVIQTMYWTVTIOL-LSDHHAIUSA-N 2 0 284.444 1.940 10 0 CDAERP CC(C)[C@H](C[NH3+])CN1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903984311 626173664 /nfs/dbraw/zinc/17/36/64/626173664.db2.gz TULJAVODZJWJBE-GMTAPVOTSA-N 2 0 267.339 1.429 10 0 CDAERP C[C@@]1([NH3+])CCCC[C@H]1c1nc(CC2CC[NH2+]CC2)no1 ZINC000905314327 626744112 /nfs/dbraw/zinc/74/41/12/626744112.db2.gz NVDKTCOYBHNKHG-SWLSCSKDSA-N 2 0 278.400 1.987 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@@H]1c1nc(CC2CC[NH2+]CC2)no1 ZINC000905313678 626744485 /nfs/dbraw/zinc/74/44/85/626744485.db2.gz MRWQDFJGMJNKJO-RYUDHWBXSA-N 2 0 264.373 1.467 10 0 CDAERP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)CCC3(O)CCC3)CC[C@H]21 ZINC000905940154 627053420 /nfs/dbraw/zinc/05/34/20/627053420.db2.gz LYTUCZLLSMTXFV-OWCLPIDISA-N 2 0 296.455 1.459 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)C[C@]1(O)CCC[NH+](C)C1 ZINC000908304441 628134151 /nfs/dbraw/zinc/13/41/51/628134151.db2.gz VHULSWWQNVVBLL-GDBMZVCRSA-N 2 0 299.459 1.070 10 0 CDAERP C/C(=C(\F)C(=O)NCCN(C)CCC[NH+](C)C)C1CC1 ZINC000912386283 629956595 /nfs/dbraw/zinc/95/65/95/629956595.db2.gz CKDFEZLPIFIPBR-WYMLVPIESA-N 2 0 285.407 1.640 10 0 CDAERP CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+]2C(C)(C)C)C[C@H](C)[NH2+]1 ZINC000912731502 630183683 /nfs/dbraw/zinc/18/36/83/630183683.db2.gz XZNRAIIOAUPLBU-YNEHKIRRSA-N 2 0 267.417 1.458 10 0 CDAERP C[NH+](C)CC1(C(=O)NC23CC[NH+](CC2)C3)CCCCC1 ZINC000913633042 630725276 /nfs/dbraw/zinc/72/52/76/630725276.db2.gz JOFUNPOTKZGDBQ-UHFFFAOYSA-N 2 0 279.428 1.463 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CC[NH+](C)[C@H]2C)C1 ZINC000914336695 631358654 /nfs/dbraw/zinc/35/86/54/631358654.db2.gz CLWDNQNGXODSKP-MJBXVCDLSA-N 2 0 282.432 1.110 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000915679564 631796794 /nfs/dbraw/zinc/79/67/94/631796794.db2.gz ZOSSBHATMLFTQO-AWEZNQCLSA-N 2 0 282.432 1.112 10 0 CDAERP CC(C)[NH+](CCCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1C)C(C)C ZINC000921150713 632883817 /nfs/dbraw/zinc/88/38/17/632883817.db2.gz QLWOSQBLVBIRBW-GJZGRUSLSA-N 2 0 298.475 1.887 10 0 CDAERP COc1cc2c(cc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)OCO2 ZINC000655827750 633159355 /nfs/dbraw/zinc/15/93/55/633159355.db2.gz ZGUQTUWMEGJCAI-BJHJDKERSA-N 2 0 292.379 1.854 10 0 CDAERP C[C@H](C[NH2+]Cc1ccnn1C1CCC1)N1CC[NH+](C)CC1 ZINC000921691055 633188358 /nfs/dbraw/zinc/18/83/58/633188358.db2.gz ZGOYBRBBQXQDID-CQSZACIVSA-N 2 0 291.443 1.334 10 0 CDAERP CCOCC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001690259957 1158474392 /nfs/dbraw/zinc/47/43/92/1158474392.db2.gz JUUWPIRALVIZRC-HNNXBMFYSA-N 2 0 297.443 1.089 10 0 CDAERP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001649460932 1158590682 /nfs/dbraw/zinc/59/06/82/1158590682.db2.gz BTDYEMCEIHWVNN-MFHOCJEASA-N 2 0 281.444 1.731 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCOC)[C@@H](CC)C1 ZINC001670595936 1158654562 /nfs/dbraw/zinc/65/45/62/1158654562.db2.gz QNRBGRUFXLOSID-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H]1C[C@H]([NH2+]CCCF)C1 ZINC001691184533 1158948992 /nfs/dbraw/zinc/94/89/92/1158948992.db2.gz OVOGAORZRJJLCS-KBUPBQIOSA-N 2 0 299.434 1.703 10 0 CDAERP CC(C)[N@H+](CCF)CCCNC(=O)C[NH+]1CCCC1 ZINC001691763348 1158977483 /nfs/dbraw/zinc/97/74/83/1158977483.db2.gz NANGKZBZHANCEZ-UHFFFAOYSA-N 2 0 273.396 1.268 10 0 CDAERP CN(CC[NH2+]CCC(F)(F)F)C(=O)C1([NH+](C)C)CCC1 ZINC001691345892 1159028804 /nfs/dbraw/zinc/02/88/04/1159028804.db2.gz LLSKFRLRJUMUFQ-UHFFFAOYSA-N 2 0 295.349 1.471 10 0 CDAERP CCCC[NH2+]C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001670545718 1158635401 /nfs/dbraw/zinc/63/54/01/1158635401.db2.gz YJMCEKTWYDAHMK-HIFRSBDPSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001417759100 1158703093 /nfs/dbraw/zinc/70/30/93/1158703093.db2.gz QMRJUEZUTPLHLK-HZPDHXFCSA-N 2 0 295.471 1.907 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001670713082 1158714682 /nfs/dbraw/zinc/71/46/82/1158714682.db2.gz GMMDVXSTLNQTOL-HNNXBMFYSA-N 2 0 281.444 1.875 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]C/C=C\Cl ZINC001671373619 1159661419 /nfs/dbraw/zinc/66/14/19/1159661419.db2.gz QGXZOTWJHBAVQK-VGVVRCBHSA-N 2 0 287.835 1.661 10 0 CDAERP CCC[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001268791807 1160016464 /nfs/dbraw/zinc/01/64/64/1160016464.db2.gz RFWFPZFEUIJDKG-CQSZACIVSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCF)C1CC1 ZINC001269084320 1160028911 /nfs/dbraw/zinc/02/89/11/1160028911.db2.gz KBYADTIFKDLUQN-CABCVRRESA-N 2 0 299.434 1.561 10 0 CDAERP CCCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001482354004 1160170509 /nfs/dbraw/zinc/17/05/09/1160170509.db2.gz MWJKTRFSHOPPDO-QWHCGFSZSA-N 2 0 257.422 1.563 10 0 CDAERP CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001691570602 1160702457 /nfs/dbraw/zinc/70/24/57/1160702457.db2.gz LIKBWSHMALPPEP-KGLIPLIRSA-N 2 0 267.417 1.128 10 0 CDAERP C[C@H](CC1CCC1)[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000866413591 1164779093 /nfs/dbraw/zinc/77/90/93/1164779093.db2.gz IXINQEOKBGUIAQ-OCCSQVGLSA-N 2 0 254.418 2.000 10 0 CDAERP CN1Cc2ccccc2[C@@H]1CNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000870979190 1165246570 /nfs/dbraw/zinc/24/65/70/1165246570.db2.gz ICPFVPYWQIIWAA-CABCVRRESA-N 2 0 273.380 1.417 10 0 CDAERP CCN1CC[C@@H]1C(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC001618040798 1165618179 /nfs/dbraw/zinc/61/81/79/1165618179.db2.gz JJQATMHPRYZIQE-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N1CCC12CC[NH+](C)CC2 ZINC001637425088 1166755525 /nfs/dbraw/zinc/75/55/25/1166755525.db2.gz OQKLDEYXQWQNKE-ZDUSSCGKSA-N 2 0 267.417 1.271 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCCF)C2)C1 ZINC001565918531 1168200194 /nfs/dbraw/zinc/20/01/94/1168200194.db2.gz MYJWMPRAKKUUHJ-BFHYXJOUSA-N 2 0 285.407 1.172 10 0 CDAERP CC/C=C/CC[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001566850686 1168443828 /nfs/dbraw/zinc/44/38/28/1168443828.db2.gz NOLRUCPEOWFMSR-DLPZHFSESA-N 2 0 267.417 1.531 10 0 CDAERP CN(CC[NH2+]CC1CCCCCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001567604888 1168885196 /nfs/dbraw/zinc/88/51/96/1168885196.db2.gz OUFACIBGTWWAGN-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)C[NH2+]CC1(NC(=O)CC[NH+](C)C)CCCC1 ZINC001568004747 1169114525 /nfs/dbraw/zinc/11/45/25/1169114525.db2.gz KSOBUTHBVWIFDJ-UHFFFAOYSA-N 2 0 269.433 1.613 10 0 CDAERP CCCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001568172324 1169161012 /nfs/dbraw/zinc/16/10/12/1169161012.db2.gz RYNGUUBYWWGBFI-QLFBSQMISA-N 2 0 283.460 1.859 10 0 CDAERP CCC[NH2+]C[C@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001568294100 1169229241 /nfs/dbraw/zinc/22/92/41/1169229241.db2.gz BBLRNQVSTGGNBS-LBPRGKRZSA-N 2 0 255.406 1.175 10 0 CDAERP CCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001568319254 1169243909 /nfs/dbraw/zinc/24/39/09/1169243909.db2.gz LPTOFNFYTCGUFW-OLZOCXBDSA-N 2 0 255.406 1.175 10 0 CDAERP CC(C)[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001569022525 1169601077 /nfs/dbraw/zinc/60/10/77/1169601077.db2.gz OSTUUFCGMNUFPH-ZIAGYGMSSA-N 2 0 269.433 1.752 10 0 CDAERP CCC[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001569845455 1170016237 /nfs/dbraw/zinc/01/62/37/1170016237.db2.gz XVEZNYLGRMJVMT-KGLIPLIRSA-N 2 0 281.444 1.422 10 0 CDAERP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C[NH2+]CCCF ZINC001569847660 1170016278 /nfs/dbraw/zinc/01/62/78/1170016278.db2.gz WIYSGNVQNVCWJT-HIFRSBDPSA-N 2 0 299.434 1.372 10 0 CDAERP CC(C)[NH2+][C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001661610500 1172415599 /nfs/dbraw/zinc/41/55/99/1172415599.db2.gz UHGMVRFAEBOOHE-TXEJJXNPSA-N 2 0 253.390 1.116 10 0 CDAERP CC[C@H](C[NH2+]CCN(C)C(=O)C12CCC[NH+]1CCC2)OC ZINC001664043930 1172804687 /nfs/dbraw/zinc/80/46/87/1172804687.db2.gz GZMXOFSVIVAELL-CQSZACIVSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC001584968305 1172868651 /nfs/dbraw/zinc/86/86/51/1172868651.db2.gz RGMHMJNNWLQHMI-OCCSQVGLSA-N 2 0 267.417 1.127 10 0 CDAERP CCCCC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001664760179 1172904312 /nfs/dbraw/zinc/90/43/12/1172904312.db2.gz NBTTYFOWSMATST-HOTGVXAUSA-N 2 0 295.471 1.957 10 0 CDAERP CC[NH2+]CC[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001666152950 1173114991 /nfs/dbraw/zinc/11/49/91/1173114991.db2.gz WQGZYPDHIGODJF-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP CCC[NH2+]CCN(CC)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001668652081 1173436451 /nfs/dbraw/zinc/43/64/51/1173436451.db2.gz HHTMXOLVWQWYAU-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CC[NH2+]C[C@@]1(C)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001671785877 1173712676 /nfs/dbraw/zinc/71/26/76/1173712676.db2.gz ZHWAFTPQWQVWNT-UKRRQHHQSA-N 2 0 267.417 1.176 10 0 CDAERP CCCC[C@@H](C[NH2+]CCC)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001675216735 1174083558 /nfs/dbraw/zinc/08/35/58/1174083558.db2.gz AWFDAAVWDPWVFS-KBPBESRZSA-N 2 0 269.433 1.755 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001690405378 1175463763 /nfs/dbraw/zinc/46/37/63/1175463763.db2.gz IZRHABDVQGYLLK-OWCLPIDISA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@H](C[NH2+]CCF)C2)CC[N@@H+]1C ZINC001690420377 1175466289 /nfs/dbraw/zinc/46/62/89/1175466289.db2.gz DYGXIBUOSHVPTQ-ZNMIVQPWSA-N 2 0 299.434 1.514 10 0 CDAERP CCCC[NH2+]C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001690721678 1175555354 /nfs/dbraw/zinc/55/53/54/1175555354.db2.gz PKNRIQXCDUCCDB-OAHLLOKOSA-N 2 0 293.455 1.853 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001691786011 1175627312 /nfs/dbraw/zinc/62/73/12/1175627312.db2.gz LPHVEIPNCLMZSZ-KLHDSHLOSA-N 2 0 293.455 1.777 10 0 CDAERP CC[NH2+]CCCCCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001691941168 1175654087 /nfs/dbraw/zinc/65/40/87/1175654087.db2.gz FABDSJMACBFVQX-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CCCCC[C@@H]([NH2+]CCCF)C2)C1 ZINC001692334849 1175739275 /nfs/dbraw/zinc/73/92/75/1175739275.db2.gz ZRAFQQUIVQWYMF-LSDHHAIUSA-N 2 0 299.434 1.659 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@H](CC[NH2+]CCF)C2)C1 ZINC001698683453 1175894241 /nfs/dbraw/zinc/89/42/41/1175894241.db2.gz PZTFGBCIQXECDD-CABCVRRESA-N 2 0 299.434 1.516 10 0 CDAERP C[C@H](C[NH2+]CCF)N(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001698859896 1175967221 /nfs/dbraw/zinc/96/72/21/1175967221.db2.gz GQUOHVNRCUYKST-CYBMUJFWSA-N 2 0 299.434 1.514 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)CC[NH2+]CC)C1 ZINC001699129396 1176104943 /nfs/dbraw/zinc/10/49/43/1176104943.db2.gz FYWQSUGHLRENOQ-KBPBESRZSA-N 2 0 269.433 1.613 10 0 CDAERP CCN(CC[NH2+]CCF)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001699181546 1176130267 /nfs/dbraw/zinc/13/02/67/1176130267.db2.gz OTCQCIWGFMTPQW-CYBMUJFWSA-N 2 0 273.396 1.267 10 0 CDAERP CCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001699376342 1176334208 /nfs/dbraw/zinc/33/42/08/1176334208.db2.gz YSVATGHYUMYNCA-ZIAGYGMSSA-N 2 0 269.433 1.613 10 0 CDAERP CC[C@@H](C(=O)N(C)CCC[NH2+]C[C@H]1CCCCO1)[NH+](C)C ZINC001699534881 1176466551 /nfs/dbraw/zinc/46/65/51/1176466551.db2.gz HGVZDLGSFYMQOD-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP CCOCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001699751855 1176607164 /nfs/dbraw/zinc/60/71/64/1176607164.db2.gz JEGNPFDWTMZLIZ-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC2CC(C[NH2+]C/C=C\Cl)C2)C1 ZINC001700397827 1176904700 /nfs/dbraw/zinc/90/47/00/1176904700.db2.gz RDDZMSYJGDZMDG-OACSWPMHSA-N 2 0 299.846 1.565 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001700640454 1177050092 /nfs/dbraw/zinc/05/00/92/1177050092.db2.gz VOXUNEOKGAOJNN-SHTZXODSSA-N 2 0 295.471 1.859 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC=C(C)C)C1)[NH+](C)C ZINC001700643259 1177050860 /nfs/dbraw/zinc/05/08/60/1177050860.db2.gz IDWNOXQECIJUQQ-KKUMJFAQSA-N 2 0 281.444 1.777 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C[NH2+]CCCF)C1 ZINC001700902631 1177189121 /nfs/dbraw/zinc/18/91/21/1177189121.db2.gz QLHVUFZTRBIZJT-OLZOCXBDSA-N 2 0 273.396 1.172 10 0 CDAERP O=C(CCCC[NH+]1CCCC1)N1CC[C@H]([NH2+]CCCF)C1 ZINC001713151937 1178397867 /nfs/dbraw/zinc/39/78/67/1178397867.db2.gz GCDFUUVWSDNBAT-HNNXBMFYSA-N 2 0 299.434 1.803 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001713441695 1178561619 /nfs/dbraw/zinc/56/16/19/1178561619.db2.gz VAXRVZQYCVLKIS-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)C[N@H+](C)CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001713456463 1178574451 /nfs/dbraw/zinc/57/44/51/1178574451.db2.gz PTSOMFMIGOHRKE-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001713535869 1178631896 /nfs/dbraw/zinc/63/18/96/1178631896.db2.gz LBQFGAXNKMXDKY-KGLIPLIRSA-N 2 0 269.433 1.422 10 0 CDAERP CN(CC[NH2+]CC1CCCCC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001713578985 1178664875 /nfs/dbraw/zinc/66/48/75/1178664875.db2.gz XSCKHBRTYYDHEN-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]CCOC(C)C)CC[N@@H+]1C ZINC001713593320 1178673973 /nfs/dbraw/zinc/67/39/73/1178673973.db2.gz GPAIFRRTMWZWAI-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)CC[NH2+]Cc1csc(C)c1 ZINC001713650371 1178696422 /nfs/dbraw/zinc/69/64/22/1178696422.db2.gz CSLJGCBBUFHASL-UHFFFAOYSA-N 2 0 297.468 1.946 10 0 CDAERP CC(C)CCC[NH2+]CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001713654961 1178698403 /nfs/dbraw/zinc/69/84/03/1178698403.db2.gz OAEFUGLRWVNRDJ-OAHLLOKOSA-N 2 0 283.460 1.812 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001713966019 1178897375 /nfs/dbraw/zinc/89/73/75/1178897375.db2.gz GJMAFBNFVSOQEB-XUXIUFHCSA-N 2 0 267.417 1.221 10 0 CDAERP CC(C)[NH2+]C1CCC(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001714200299 1179011160 /nfs/dbraw/zinc/01/11/60/1179011160.db2.gz QNFVJDTYIJTGGR-UHFFFAOYSA-N 2 0 269.433 1.752 10 0 CDAERP CCCC[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001714247180 1179044630 /nfs/dbraw/zinc/04/46/30/1179044630.db2.gz RHTXFGXAEOLWTB-CHWSQXEVSA-N 2 0 255.406 1.365 10 0 CDAERP CC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001714254122 1179049574 /nfs/dbraw/zinc/04/95/74/1179049574.db2.gz XJZQXXXHBPAOEP-CQSZACIVSA-N 2 0 267.417 1.319 10 0 CDAERP COCC[NH2+][C@@H](C)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001714310980 1179080051 /nfs/dbraw/zinc/08/00/51/1179080051.db2.gz WRNBPTINCLMWNI-ZDUSSCGKSA-N 2 0 293.411 1.103 10 0 CDAERP CC(C)=CC[NH+](C)CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001714571739 1179227389 /nfs/dbraw/zinc/22/73/89/1179227389.db2.gz HADGBIVBNXRSSW-GASCZTMLSA-N 2 0 281.444 1.873 10 0 CDAERP C[C@@H](C[NH2+]C/C=C/Cl)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001714677753 1179318119 /nfs/dbraw/zinc/31/81/19/1179318119.db2.gz YASHHXJKVXUPGM-LJLILKBBSA-N 2 0 299.846 1.804 10 0 CDAERP CCCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001714720340 1179356639 /nfs/dbraw/zinc/35/66/39/1179356639.db2.gz USXMVRHLJBHVHH-QWHCGFSZSA-N 2 0 255.406 1.317 10 0 CDAERP CN(CC[NH2+]CCCF)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001714725663 1179358998 /nfs/dbraw/zinc/35/89/98/1179358998.db2.gz XIKBFKGWXPHOFT-KBPBESRZSA-N 2 0 285.407 1.411 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CC[NH2+]C[C@@H](C)OC)C1 ZINC001714749838 1179374654 /nfs/dbraw/zinc/37/46/54/1179374654.db2.gz RDTBZPXJBJSVIY-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP CN(CC[NH2+]Cc1cncs1)C(=O)C1CC[NH+](C)CC1 ZINC001714751586 1179375998 /nfs/dbraw/zinc/37/59/98/1179375998.db2.gz UYJGHBRVEPOMKK-UHFFFAOYSA-N 2 0 296.440 1.033 10 0 CDAERP CC(C)C[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001714764371 1179384938 /nfs/dbraw/zinc/38/49/38/1179384938.db2.gz QSCARPOEJDYILV-OAHLLOKOSA-N 2 0 283.460 1.953 10 0 CDAERP CCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1([NH+](C)C)CCC1 ZINC001714988615 1179493821 /nfs/dbraw/zinc/49/38/21/1179493821.db2.gz ZYKUKNRFUFNQRM-GJZGRUSLSA-N 2 0 293.455 1.946 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001715228940 1179586951 /nfs/dbraw/zinc/58/69/51/1179586951.db2.gz JFVATCYLTXFVQR-HOCLYGCPSA-N 2 0 293.455 1.636 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)C[NH2+]CCC2CC2)CC[N@@H+]1C ZINC001715234636 1179589906 /nfs/dbraw/zinc/58/99/06/1179589906.db2.gz VZKRJFQLMRZYFR-CWRNSKLLSA-N 2 0 295.471 1.859 10 0 CDAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]CC[C@H](C)F ZINC001715266999 1179602746 /nfs/dbraw/zinc/60/27/46/1179602746.db2.gz CURVJDVTQPPIEQ-STQMWFEESA-N 2 0 285.407 1.172 10 0 CDAERP CCOCC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001715564389 1179718184 /nfs/dbraw/zinc/71/81/84/1179718184.db2.gz UJKVNWYTNKXLRW-KFWWJZLASA-N 2 0 299.459 1.094 10 0 CDAERP C[C@H](CC[NH2+]C/C=C/Cl)NC(=O)C1(C[NH+](C)C)CC1 ZINC001715673854 1179760486 /nfs/dbraw/zinc/76/04/86/1179760486.db2.gz ISXQNVQPRDQGBR-WNPFHQFXSA-N 2 0 287.835 1.565 10 0 CDAERP CCC[NH2+]CC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001715683736 1179763856 /nfs/dbraw/zinc/76/38/56/1179763856.db2.gz OSNGGVMFTQEILW-STQMWFEESA-N 2 0 255.406 1.223 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CCC1CC1 ZINC001715799267 1179826443 /nfs/dbraw/zinc/82/64/43/1179826443.db2.gz MOJHONJDQVMFOV-HSWBROFVSA-N 2 0 265.401 1.143 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]CC[C@@H](C)F ZINC001715962870 1179943042 /nfs/dbraw/zinc/94/30/42/1179943042.db2.gz QTJPNCNWUADCOM-VXGBXAGGSA-N 2 0 261.385 1.169 10 0 CDAERP CCCCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001715976360 1179958165 /nfs/dbraw/zinc/95/81/65/1179958165.db2.gz KXTFLNGZZHHIAV-BFHYXJOUSA-N 2 0 269.433 1.611 10 0 CDAERP CC[C@H](F)C[N@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001716037375 1180012414 /nfs/dbraw/zinc/01/24/14/1180012414.db2.gz BXAWYMWWNSBZDJ-NEPJUHHUSA-N 2 0 261.385 1.123 10 0 CDAERP CCCCC[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001716043042 1180018346 /nfs/dbraw/zinc/01/83/46/1180018346.db2.gz DRKICERMEQUAOF-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001716368099 1180170394 /nfs/dbraw/zinc/17/03/94/1180170394.db2.gz NVRGJYAHAQXJSR-XEVLESSRSA-N 2 0 281.444 1.777 10 0 CDAERP C[C@H](C[NH2+]CCC1CC1)NC(=O)C[N@H+](C)C1CCC1 ZINC001716400182 1180186571 /nfs/dbraw/zinc/18/65/71/1180186571.db2.gz YRXUWGWYIPCKSU-GFCCVEGCSA-N 2 0 267.417 1.365 10 0 CDAERP CC[N@H+](C)[C@@H](C(=O)N[C@@H](C)C[NH2+]CCF)c1ccccc1 ZINC001716459745 1180222265 /nfs/dbraw/zinc/22/22/65/1180222265.db2.gz VLJCXDNBVPXAAJ-DZGCQCFKSA-N 2 0 295.402 1.743 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CCC2CC2)C1 ZINC001717382733 1180640424 /nfs/dbraw/zinc/64/04/24/1180640424.db2.gz OZFKCPNCGQTERK-NRXISQOPSA-N 2 0 279.428 1.365 10 0 CDAERP O=C(NC1CC(C[NH2+]CCCF)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001717385492 1180641492 /nfs/dbraw/zinc/64/14/92/1180641492.db2.gz KBXXLRYWJVHIEF-ZALBZXLWSA-N 2 0 297.418 1.172 10 0 CDAERP CCCC[NH2+][C@H](C)[C@@H]1CN(C(=O)CC[N@H+](C)CC)CCO1 ZINC001717618633 1180761568 /nfs/dbraw/zinc/76/15/68/1180761568.db2.gz KYXVWDASBZJZBA-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP CN(C(=O)CC[NH+](C)C)C1CC([NH2+]CCC2CC2)C1 ZINC001717995883 1180962647 /nfs/dbraw/zinc/96/26/47/1180962647.db2.gz GZNWVAFXORSCFP-UHFFFAOYSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NCC2=CC[NH+](CC3CC3)CC2)C1 ZINC001718028179 1180974707 /nfs/dbraw/zinc/97/47/07/1180974707.db2.gz IGSNVNDCZUTSTP-CQSZACIVSA-N 2 0 291.439 1.487 10 0 CDAERP CC[C@@H](C(=O)NC[C@@H](C)[NH2+]CCC1CC1)[NH+](C)C ZINC001731633868 1182492770 /nfs/dbraw/zinc/49/27/70/1182492770.db2.gz OHMGXYZKGMGMQX-YPMHNXCESA-N 2 0 255.406 1.221 10 0 CDAERP C[C@@H](C(=O)N1CC[C@@H](C[NH2+]CCF)C1)[NH+]1CCCCCC1 ZINC001731675748 1182513000 /nfs/dbraw/zinc/51/30/00/1182513000.db2.gz MOFKVLKQADMIDO-GJZGRUSLSA-N 2 0 299.434 1.659 10 0 CDAERP CCCCC[N@H+](CC)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001731813927 1182601279 /nfs/dbraw/zinc/60/12/79/1182601279.db2.gz DVMJQLJJKOLGMW-UHFFFAOYSA-N 2 0 281.444 1.711 10 0 CDAERP C[NH+](C)CCCCC(=O)NC[C@H]1CC[N@H+](CCF)C1 ZINC001731855273 1182628834 /nfs/dbraw/zinc/62/88/34/1182628834.db2.gz BCVXBGFFWBQLJF-CYBMUJFWSA-N 2 0 273.396 1.126 10 0 CDAERP CCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001732343230 1182917112 /nfs/dbraw/zinc/91/71/12/1182917112.db2.gz HZKQAHROUFWRIE-MELADBBJSA-N 2 0 269.433 1.469 10 0 CDAERP CCN(CC[NH2+]CCF)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001732802472 1183130221 /nfs/dbraw/zinc/13/02/21/1183130221.db2.gz PTTCPJHYFSGFEV-UHFFFAOYSA-N 2 0 295.402 1.769 10 0 CDAERP CC(C)C[NH2+]C/C=C\CNC(=O)C1CC[NH+](C)CC1 ZINC001732895607 1183175064 /nfs/dbraw/zinc/17/50/64/1183175064.db2.gz RPYGLFAUCFBMRC-PLNGDYQASA-N 2 0 267.417 1.246 10 0 CDAERP Cc1c(C(=O)N[C@H](C)C[NH2+]CCF)ccc2c[nH+]cn21 ZINC001732961016 1183206480 /nfs/dbraw/zinc/20/64/80/1183206480.db2.gz FOHWSBNFKLIEHV-SNVBAGLBSA-N 2 0 278.331 1.320 10 0 CDAERP Cc1c(C(=O)N[C@@H](C)C[NH2+]CCCF)ccc2c[nH+]cn21 ZINC001733002926 1183232718 /nfs/dbraw/zinc/23/27/18/1183232718.db2.gz KAWQYNQTVGTQDX-NSHDSACASA-N 2 0 292.358 1.710 10 0 CDAERP CC(C)=CC[NH2+]CCCN(C)C(=O)CC[NH+](C)C ZINC001733124437 1183299073 /nfs/dbraw/zinc/29/90/73/1183299073.db2.gz VXJKCYFUIBFKFW-UHFFFAOYSA-N 2 0 255.406 1.342 10 0 CDAERP CCC[NH2+]CC1CC(NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001733959679 1183584616 /nfs/dbraw/zinc/58/46/16/1183584616.db2.gz IIUPBZVOLQNMNV-NRXISQOPSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C[NH2+]CCF)C1CC1 ZINC001734300225 1183720750 /nfs/dbraw/zinc/72/07/50/1183720750.db2.gz IHIAQDWLZJSTEU-CABCVRRESA-N 2 0 299.434 1.655 10 0 CDAERP CC(C)[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001734321896 1183730136 /nfs/dbraw/zinc/73/01/36/1183730136.db2.gz BGTWBDNOARHZKQ-ZIAGYGMSSA-N 2 0 269.433 1.704 10 0 CDAERP CC(C)[NH2+][C@H](C)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001734323461 1183731291 /nfs/dbraw/zinc/73/12/91/1183731291.db2.gz QVVGCYWZIWJQAT-OCCSQVGLSA-N 2 0 267.417 1.173 10 0 CDAERP c1ncc(C[NH2+]CCCC[NH+]2CCOCC2)s1 ZINC000135891060 1164367563 /nfs/dbraw/zinc/36/75/63/1164367563.db2.gz HZHPTAJPVONMOY-UHFFFAOYSA-N 2 0 255.387 1.345 10 0 CDAERP CC(C)C1CC([NH2+][C@H]2CCN(CC(C)(C)O)C2)C1 ZINC000866412129 818849750 /nfs/dbraw/zinc/84/97/50/818849750.db2.gz DRQRMWCSPJIQAI-MOKVOYLWSA-N 2 0 254.418 1.856 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1ncc(Cl)n1C ZINC000722529389 820916453 /nfs/dbraw/zinc/91/64/53/820916453.db2.gz ANBBYHMXAKFNMO-NXEZZACHSA-N 2 0 256.781 1.409 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@H]1C ZINC001691740667 1166862537 /nfs/dbraw/zinc/86/25/37/1166862537.db2.gz AXSMGASVFBPKOW-OLZOCXBDSA-N 2 0 255.406 1.317 10 0 CDAERP CC1(C)C[C@@H]([NH2+]C[C@@H](CO)[C@@H]2CCOC2)C[C@@H]([NH3+])C1 ZINC000925654278 818049583 /nfs/dbraw/zinc/04/95/83/818049583.db2.gz FSKOSZHAXDHZCD-RQJABVFESA-N 2 0 270.417 1.127 10 0 CDAERP FC1(C2CC2)CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923440641 818092846 /nfs/dbraw/zinc/09/28/46/818092846.db2.gz LSFOXMXGPJPVLU-ZDUSSCGKSA-N 2 0 268.376 1.579 10 0 CDAERP CC(C)C[C@H]([NH3+])CNc1ccc2c(c1)C[NH2+]CCO2 ZINC000841082166 818149679 /nfs/dbraw/zinc/14/96/79/818149679.db2.gz IJUAUBSSVPQMHE-ZDUSSCGKSA-N 2 0 263.385 1.954 10 0 CDAERP C[C@@H](NC[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1CCCC[NH2+]1 ZINC000925774538 818229423 /nfs/dbraw/zinc/22/94/23/818229423.db2.gz AYDPWEUKKYKZHP-WOPDTQHZSA-N 2 0 261.360 1.351 10 0 CDAERP CC(=O)N1CCC(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925499078 818258874 /nfs/dbraw/zinc/25/88/74/818258874.db2.gz MLRDZUADFSFEBP-GJZGRUSLSA-N 2 0 281.444 1.741 10 0 CDAERP O[C@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)C1(O)CCC1 ZINC000929278476 818279637 /nfs/dbraw/zinc/27/96/37/818279637.db2.gz YZZQGVKEJFBYFQ-OAHLLOKOSA-N 2 0 282.428 1.070 10 0 CDAERP CC1(C)[C@H](c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)C[C@@H]1[NH3+] ZINC000871801366 818280968 /nfs/dbraw/zinc/28/09/68/818280968.db2.gz RFKVSBPSIYEPLA-YAXHFPQCSA-N 2 0 276.384 1.908 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000872035896 818305441 /nfs/dbraw/zinc/30/54/41/818305441.db2.gz ZDQODDCKBMFYDV-HZPDHXFCSA-N 2 0 295.471 1.704 10 0 CDAERP C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CCN1CCC([NH3+])CC1 ZINC000925817652 818330612 /nfs/dbraw/zinc/33/06/12/818330612.db2.gz UWRCMKXWWKELLN-SNPRPXQTSA-N 2 0 251.418 1.578 10 0 CDAERP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)CCC1(O)CCC1 ZINC000929811834 818369251 /nfs/dbraw/zinc/36/92/51/818369251.db2.gz DCJXJGKNHNSWEV-PMPSAXMXSA-N 2 0 296.455 1.601 10 0 CDAERP C[C@H]([NH2+]C1CC1)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000870990677 818405971 /nfs/dbraw/zinc/40/59/71/818405971.db2.gz AUPGQUAJOMDPFU-XHDPSFHLSA-N 2 0 267.417 1.350 10 0 CDAERP Cc1cc(C)n(CC[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)n1 ZINC000923443015 818505488 /nfs/dbraw/zinc/50/54/88/818505488.db2.gz FCBRSNFFSACQRD-OAHLLOKOSA-N 2 0 292.427 1.330 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2CCC3(COC3)O2)[C@H](C)C1 ZINC000929999682 818509366 /nfs/dbraw/zinc/50/93/66/818509366.db2.gz KKMIOIRXQOEEEA-KFWWJZLASA-N 2 0 282.428 1.597 10 0 CDAERP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923499889 818553119 /nfs/dbraw/zinc/55/31/19/818553119.db2.gz UYNPZVBFRVGIKZ-FRRDWIJNSA-N 2 0 255.406 1.158 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCNC(=O)OC(C)(C)C ZINC000924884735 818559662 /nfs/dbraw/zinc/55/96/62/818559662.db2.gz FMAIORKEYDDUDZ-FUNVUKJBSA-N 2 0 283.416 1.441 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000925834133 818614144 /nfs/dbraw/zinc/61/41/44/818614144.db2.gz GDLJKPDJEVCMKF-YUMQZZPRSA-N 2 0 264.295 1.654 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000925829027 818622111 /nfs/dbraw/zinc/62/21/11/818622111.db2.gz LWNTXMXOTRQDQW-ZRUFSTJUSA-N 2 0 266.307 1.956 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C[C@@H]1C ZINC000872285689 818646422 /nfs/dbraw/zinc/64/64/22/818646422.db2.gz CPQDODBCYJILPS-QKDZRIPBSA-N 2 0 279.428 1.445 10 0 CDAERP C[C@H]1[C@@H](NC(=O)NCCCC[NH+](C)C2CC2)CC[N@@H+]1C ZINC000922811553 818660443 /nfs/dbraw/zinc/66/04/43/818660443.db2.gz WHUOCQABEOLHIJ-JSGCOSHPSA-N 2 0 282.432 1.253 10 0 CDAERP CN(C(=O)CC[C@@H]1CCCC[N@@H+]1C)C1CCC([NH3+])CC1 ZINC000832832867 818681231 /nfs/dbraw/zinc/68/12/31/818681231.db2.gz REBRBLQKIQSXNA-SLTAFYQDSA-N 2 0 281.444 1.979 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H](O)Cc1ccccc1 ZINC000924969305 818715066 /nfs/dbraw/zinc/71/50/66/818715066.db2.gz JCGDSRITTDRFEX-LVYZTWJOSA-N 2 0 274.408 1.520 10 0 CDAERP C[C@H](O)C[N@@H+](Cc1ccccc1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923306799 818747654 /nfs/dbraw/zinc/74/76/54/818747654.db2.gz QDWNIRPPAPPUSV-GOEBONIOSA-N 2 0 290.407 1.248 10 0 CDAERP CC(C)N1CC[C@@H]([N@H+](C)CCCCCC[NH3+])C1=O ZINC000710817769 818779147 /nfs/dbraw/zinc/77/91/47/818779147.db2.gz CZWUDUHOLWTICU-CYBMUJFWSA-N 2 0 255.406 1.447 10 0 CDAERP C[C@@H]1[C@H](NC(=O)N2CCCC23CC[NH+](C)CC3)CC[N@@H+]1C ZINC000925339098 818797941 /nfs/dbraw/zinc/79/79/41/818797941.db2.gz VZRPVIXQBWFLAD-ZIAGYGMSSA-N 2 0 294.443 1.349 10 0 CDAERP CC[C@H]([NH2+]C)C(=O)NC[C@H]1c2ccccc2CN1C ZINC000870979583 818824110 /nfs/dbraw/zinc/82/41/10/818824110.db2.gz PGRUMPCDBSIJIM-KBPBESRZSA-N 2 0 261.369 1.287 10 0 CDAERP CCOCC[C@H](O)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000923390871 818845130 /nfs/dbraw/zinc/84/51/30/818845130.db2.gz WPMMNCRYKSEZQQ-HOTGVXAUSA-N 2 0 284.444 1.486 10 0 CDAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cncnc3)cc2)C1 ZINC000850357996 818863774 /nfs/dbraw/zinc/86/37/74/818863774.db2.gz YBVDETOACJRWHK-QGZVFWFLSA-N 2 0 298.390 1.333 10 0 CDAERP CCO[C@@H]1COCC[C@@H]1[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925648175 818872133 /nfs/dbraw/zinc/87/21/33/818872133.db2.gz PTFHHYJOWAOFLP-ZOBORPQBSA-N 2 0 270.417 1.676 10 0 CDAERP Cc1nc(CC[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)n[nH]1 ZINC000925631261 818895560 /nfs/dbraw/zinc/89/55/60/818895560.db2.gz GSMXPPWBLQQZDZ-MNOVXSKESA-N 2 0 251.378 1.151 10 0 CDAERP FC(F)(F)c1cc2n(n1)CC[N@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000923447339 818920691 /nfs/dbraw/zinc/92/06/91/818920691.db2.gz LERLIMJJEYXSGL-SNVBAGLBSA-N 2 0 288.317 1.717 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](NC(=O)CCC23CC(C2)C[NH2+]3)C1 ZINC000870899637 818947203 /nfs/dbraw/zinc/94/72/03/818947203.db2.gz CMLWDTXGSCOWOG-WJEHIRDRSA-N 2 0 279.428 1.508 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1CCC2(CCC2)CO1)[C@@H]1CC[NH2+]C1 ZINC000716601426 818981495 /nfs/dbraw/zinc/98/14/95/818981495.db2.gz NZNVDSWJAUCIDW-MJBXVCDLSA-N 2 0 252.402 1.923 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+][C@H](CCO)C2CCOCC2)C12CCC2 ZINC000925639844 818984990 /nfs/dbraw/zinc/98/49/90/818984990.db2.gz NZGBBUKPRNDMBB-MGPQQGTHSA-N 2 0 268.401 1.024 10 0 CDAERP C[C@H]1CN(C(=[NH2+])NCC2([NH+](C)C)CCCCCC2)CCO1 ZINC000848982257 818990176 /nfs/dbraw/zinc/99/01/76/818990176.db2.gz UVBSFKJRJYIYNO-AWEZNQCLSA-N 2 0 296.459 1.886 10 0 CDAERP CN1Cc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000826717562 818995362 /nfs/dbraw/zinc/99/53/62/818995362.db2.gz JFZACEZKLSJELH-GJZGRUSLSA-N 2 0 273.380 1.384 10 0 CDAERP C[C@@H](CN[C@H]1CC[NH2+]C12CCC2)[NH+]1CCC(C)CC1 ZINC000925512129 819007510 /nfs/dbraw/zinc/00/75/10/819007510.db2.gz ZVBRXQBRBMPONO-GJZGRUSLSA-N 2 0 265.445 1.981 10 0 CDAERP C/C=C/C=C/C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870024378 819026230 /nfs/dbraw/zinc/02/62/30/819026230.db2.gz AGQJFBBHYNAKIH-LZSNHEOGSA-N 2 0 279.428 1.317 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCCN2CCOCC2)C1 ZINC000925493548 819032998 /nfs/dbraw/zinc/03/29/98/819032998.db2.gz LHYISTFLYRXXLF-KBPBESRZSA-N 2 0 269.433 1.204 10 0 CDAERP Cc1cc(N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)nc(N)[nH+]1 ZINC000389939291 819137341 /nfs/dbraw/zinc/13/73/41/819137341.db2.gz OCPXZIMLTOZJGF-DOMZBBRYSA-N 2 0 297.406 1.552 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C1 ZINC000872303351 819199084 /nfs/dbraw/zinc/19/90/84/819199084.db2.gz GZWAMKFBBWKZBW-CWIFOLKKSA-N 2 0 299.418 1.376 10 0 CDAERP O=C(CCCC[NH+]1CCCC1)NCC12CC(C1)C[NH2+]2 ZINC000852917921 819234194 /nfs/dbraw/zinc/23/41/94/819234194.db2.gz UIULQILFHHTCPY-UHFFFAOYSA-N 2 0 265.401 1.121 10 0 CDAERP COC(=O)C1=CC[C@H]([NH2+][C@H](C)C2CC[NH+](C)CC2)C1 ZINC000858477967 819236347 /nfs/dbraw/zinc/23/63/47/819236347.db2.gz YFBGQNQEZJMZFN-RISCZKNCSA-N 2 0 266.385 1.568 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000848721205 819238728 /nfs/dbraw/zinc/23/87/28/819238728.db2.gz JFHCTDWYPBEWRU-CMPLNLGQSA-N 2 0 255.362 1.077 10 0 CDAERP COCCN(C)C(=[NH2+])NCC[N@H+](C)C1CCCCC1 ZINC000871603311 819302676 /nfs/dbraw/zinc/30/26/76/819302676.db2.gz NRCSFALCIGZWKT-UHFFFAOYSA-N 2 0 270.421 1.353 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](C)[C@H]2C)[C@H](C)C1 ZINC000925339972 819304844 /nfs/dbraw/zinc/30/48/44/819304844.db2.gz ZWOFZSRILAATGE-BARDWOONSA-N 2 0 296.459 1.451 10 0 CDAERP [NH3+][C@H](C[C@H]1CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1)C1CCCC1 ZINC000923428800 819364350 /nfs/dbraw/zinc/36/43/50/819364350.db2.gz ZUPAXDXVQKDKCU-SOKJMZBUSA-N 3 0 295.471 1.457 10 0 CDAERP C([NH2+][C@H](C1CC1)[C@H]1CNCCO1)[C@@H]1C[C@H]1C1CCOCC1 ZINC000873253621 819374531 /nfs/dbraw/zinc/37/45/31/819374531.db2.gz ZOSQWOGFWVVONU-MWDXBVQZSA-N 2 0 294.439 1.406 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H]2CC=CC[C@H]2C)CC1 ZINC000934627932 819385943 /nfs/dbraw/zinc/38/59/43/819385943.db2.gz YNUXCEFYHNURKH-GDBMZVCRSA-N 2 0 293.455 1.920 10 0 CDAERP CO[C@@H](C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1)c1ccccc1 ZINC000720828495 819515161 /nfs/dbraw/zinc/51/51/61/819515161.db2.gz PZZSNRUGTHNBND-HRCADAONSA-N 2 0 260.381 1.915 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)CC1(C)C ZINC000922726859 819552091 /nfs/dbraw/zinc/55/20/91/819552091.db2.gz WFARDSWICLDONJ-RFGFWPKPSA-N 2 0 268.401 1.253 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000852880949 819649404 /nfs/dbraw/zinc/64/94/04/819649404.db2.gz GSJCFRKDOXMBSI-HOTGVXAUSA-N 2 0 291.439 1.534 10 0 CDAERP Cc1nccn1C[C@@H](C)OC(=O)CN(C)[C@@H]1CCSC1 ZINC000810620250 819671777 /nfs/dbraw/zinc/67/17/77/819671777.db2.gz FOZGAOUORUSZDK-DGCLKSJQSA-N 2 0 297.424 1.561 10 0 CDAERP C[NH+]1CCC(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925497628 819715500 /nfs/dbraw/zinc/71/55/00/819715500.db2.gz XKLJJGFYRUGBIZ-ZIAGYGMSSA-N 3 0 253.434 1.824 10 0 CDAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]([NH3+])CC1CC1 ZINC000309848672 819834506 /nfs/dbraw/zinc/83/45/06/819834506.db2.gz ZGPHQRFHPBCBAW-BBRMVZONSA-N 2 0 289.423 1.751 10 0 CDAERP C[C@@H]([NH2+]CCC(C)(C)[NH3+])c1ccc(S(N)(=O)=O)cc1 ZINC000382092721 819853173 /nfs/dbraw/zinc/85/31/73/819853173.db2.gz FCBZNENBGSWJRD-SNVBAGLBSA-N 2 0 285.413 1.112 10 0 CDAERP C[NH2+]C[C@@H](C)C(=O)NC[C@@H]1c2ccccc2CN1C ZINC000867999132 819853467 /nfs/dbraw/zinc/85/34/67/819853467.db2.gz SNKCQJFCUJFYCH-BXUZGUMPSA-N 2 0 261.369 1.145 10 0 CDAERP C[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)N1CC[NH+](C)CC1 ZINC000925491859 819859872 /nfs/dbraw/zinc/85/98/72/819859872.db2.gz GIVKHCJRXNTUJR-QLFBSQMISA-N 3 0 282.476 1.118 10 0 CDAERP Cn1nccc1[C@H](O)C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925891816 819863134 /nfs/dbraw/zinc/86/31/34/819863134.db2.gz XPXARKDEPMPBCM-IJEWVQPXSA-N 2 0 292.427 1.211 10 0 CDAERP C[C@@H](NC(=O)C=C1CC[NH2+]CC1)C(C)(C)C[NH+](C)C ZINC000852869697 819866374 /nfs/dbraw/zinc/86/63/74/819866374.db2.gz DSADLZSVQLOCLV-GFCCVEGCSA-N 2 0 267.417 1.389 10 0 CDAERP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262056536 819896699 /nfs/dbraw/zinc/89/66/99/819896699.db2.gz QSXORCCFYJOJCL-JKSUJKDBSA-N 2 0 283.460 1.419 10 0 CDAERP Cn1cncc1CC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925646480 820014939 /nfs/dbraw/zinc/01/49/39/820014939.db2.gz VFDMTMSVEYTBTF-VXGBXAGGSA-N 2 0 250.390 1.458 10 0 CDAERP C[C@@]12CN(C(=O)[C@H]3CC[NH2+]3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702085636 820035369 /nfs/dbraw/zinc/03/53/69/820035369.db2.gz DIELETMDLJASCT-LZLYRXPVSA-N 2 0 299.418 1.329 10 0 CDAERP CC1(C)C[NH2+]CC[C@H](NC(=O)/C=C\[C@@H]2CCC[NH2+]C2)C1 ZINC000872277684 820089636 /nfs/dbraw/zinc/08/96/36/820089636.db2.gz URLPUGPLFWMCJL-LAWSMPECSA-N 2 0 279.428 1.437 10 0 CDAERP CC(=O)NCCCCC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000931442746 820146995 /nfs/dbraw/zinc/14/69/95/820146995.db2.gz NOOVNXPLPUKUKN-CABCVRRESA-N 2 0 267.417 1.176 10 0 CDAERP CN(C)c1ncc(C[NH2+]C2CCC(C)([NH+](C)C)CC2)n1C ZINC000865765028 820258200 /nfs/dbraw/zinc/25/82/00/820258200.db2.gz IWYXLXZFNMMTHU-UHFFFAOYSA-N 2 0 293.459 1.839 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)COC1CC1 ZINC000878589190 820302111 /nfs/dbraw/zinc/30/21/11/820302111.db2.gz GPVVZFZRFBJTNT-CQSZACIVSA-N 2 0 297.443 1.040 10 0 CDAERP C(CN1CCSCC1)[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925482107 820333832 /nfs/dbraw/zinc/33/38/32/820333832.db2.gz LDEADCCTRFDNQC-HOTGVXAUSA-N 2 0 297.512 1.793 10 0 CDAERP C[C@@H]1OC[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)[C@@H]1C ZINC000926306687 820357483 /nfs/dbraw/zinc/35/74/83/820357483.db2.gz GNSGEZLXLIPWDH-XUJVJEKNSA-N 2 0 252.402 1.874 10 0 CDAERP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)C(C)(C)CO ZINC000924634760 820368258 /nfs/dbraw/zinc/36/82/58/820368258.db2.gz DQPXDDPXTFZLKN-CYBMUJFWSA-N 2 0 271.449 1.009 10 0 CDAERP CC[NH+](CC)CCSCC(=O)NC[C@H]1CC[N@@H+]1CC ZINC000922163180 820519399 /nfs/dbraw/zinc/51/93/99/820519399.db2.gz LZDLUYMEUAPXOB-CYBMUJFWSA-N 2 0 287.473 1.272 10 0 CDAERP C[C@@H](c1nnnn1C1CC1)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866708277 820560656 /nfs/dbraw/zinc/56/06/56/820560656.db2.gz QNRKQKGYUBVHKB-XHDPSFHLSA-N 2 0 292.431 1.766 10 0 CDAERP C([C@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000923316211 820602144 /nfs/dbraw/zinc/60/21/44/820602144.db2.gz FCYHQHSJJMLJBR-MGPQQGTHSA-N 2 0 282.453 1.725 10 0 CDAERP C[C@H](CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)[N@@H+]1CCCC[C@@H]1C ZINC000872274909 820780309 /nfs/dbraw/zinc/78/03/09/820780309.db2.gz DWHQPXVWUMSTPV-ADVQIIOHSA-N 2 0 279.428 1.493 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712627113 820812340 /nfs/dbraw/zinc/81/23/40/820812340.db2.gz QQYNAGNQYKKREC-STQMWFEESA-N 2 0 267.417 1.317 10 0 CDAERP CCOCC[C@@H](O)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000923390873 820819615 /nfs/dbraw/zinc/81/96/15/820819615.db2.gz WPMMNCRYKSEZQQ-HZPDHXFCSA-N 2 0 284.444 1.486 10 0 CDAERP Clc1ccc(CN2CC[NH2+]CC[NH2+]CC2)c(Cl)c1 ZINC000923460545 820820581 /nfs/dbraw/zinc/82/05/81/820820581.db2.gz FJNKWVDWHHTTIY-UHFFFAOYSA-N 2 0 288.222 1.988 10 0 CDAERP CNC(=O)C1CCC([NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925618809 820824000 /nfs/dbraw/zinc/82/40/00/820824000.db2.gz YJLSZCJPYPTBAZ-HHTDUIENSA-N 2 0 281.444 1.787 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000925815839 820824586 /nfs/dbraw/zinc/82/45/86/820824586.db2.gz AONREFOITLYSCE-GVDBMIGSSA-N 3 0 294.487 1.310 10 0 CDAERP C([C@H]1C[C@H]2CCC[C@H]2O1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000720881710 820833365 /nfs/dbraw/zinc/83/33/65/820833365.db2.gz SGJHADLWQQFJDF-QKGCVVFFSA-N 2 0 250.386 1.628 10 0 CDAERP CC(C)CCOC1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923307104 820867014 /nfs/dbraw/zinc/86/70/14/820867014.db2.gz URGLHPDDBIORAF-INIZCTEOSA-N 2 0 296.455 1.892 10 0 CDAERP CCO[C@H](C[N@@H+]1CCC2(C1)CC[NH2+]CC2)C1CC1 ZINC000863542651 820876748 /nfs/dbraw/zinc/87/67/48/820876748.db2.gz RUSITNLSQAEBND-CQSZACIVSA-N 2 0 252.402 1.877 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)N(C)C2CCCCC2)CC[C@H]1C[NH3+] ZINC000923507254 820957358 /nfs/dbraw/zinc/95/73/58/820957358.db2.gz JMCXMUPDIDKQBP-KGLIPLIRSA-N 2 0 281.444 1.694 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000863545866 821013675 /nfs/dbraw/zinc/01/36/75/821013675.db2.gz IDOPAUWQAAUQMU-WOPDTQHZSA-N 2 0 276.471 1.321 10 0 CDAERP Nc1cc[nH+]c2c1CN(C[C@H]1CC3(CCC3)C(=O)O1)CC2 ZINC000931519488 821027748 /nfs/dbraw/zinc/02/77/48/821027748.db2.gz VABIKOSBFWPURS-LLVKDONJSA-N 2 0 287.363 1.508 10 0 CDAERP COc1ccc([C@@H](N[C@@H]2C[NH2+]C[C@H]2C)[C@H]2CCC[NH2+]2)cc1 ZINC000925784401 821065783 /nfs/dbraw/zinc/06/57/83/821065783.db2.gz NGFLUFIVVFGELZ-BASLNEPJSA-N 2 0 289.423 1.686 10 0 CDAERP CN(Cc1ccc(F)c(F)c1)C1(C[NH3+])CCOCC1 ZINC000725051447 821098744 /nfs/dbraw/zinc/09/87/44/821098744.db2.gz HQZZLPAAXBAVJJ-UHFFFAOYSA-N 2 0 270.323 1.905 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925544046 821115346 /nfs/dbraw/zinc/11/53/46/821115346.db2.gz XTLIGSYMLYIJGY-WCVJEAGWSA-N 3 0 297.487 1.709 10 0 CDAERP c1[nH+]cn2ccc(-c3noc([C@H]4C[C@@]45CC[NH2+]C5)n3)cc12 ZINC000823167510 821201365 /nfs/dbraw/zinc/20/13/65/821201365.db2.gz ILBCURCWTVTWEV-IUODEOHRSA-N 2 0 281.319 1.851 10 0 CDAERP Cc1cc([C@@H]([NH3+])CC(=O)NC[C@H]([NH3+])C(C)C)cc(Cl)n1 ZINC000841848525 821260032 /nfs/dbraw/zinc/26/00/32/821260032.db2.gz LAJLAESOUAMPJL-RYUDHWBXSA-N 2 0 298.818 1.533 10 0 CDAERP CC[C@H](NC)c1nc([C@H]2CN3CCC[C@@H]3CO2)no1 ZINC000091686504 821281467 /nfs/dbraw/zinc/28/14/67/821281467.db2.gz WKAYPLSDYDJNJT-OUAUKWLOSA-N 2 0 266.345 1.276 10 0 CDAERP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NCCCCCC[NH3+] ZINC000843512759 821337240 /nfs/dbraw/zinc/33/72/40/821337240.db2.gz PMONMFOFENPZAL-WOSRLPQWSA-N 2 0 297.443 1.154 10 0 CDAERP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@H](O)CC(C)(C)O)C1 ZINC000872201315 821338422 /nfs/dbraw/zinc/33/84/22/821338422.db2.gz VZVUEJAIKPGETJ-LSDHHAIUSA-N 2 0 286.460 1.610 10 0 CDAERP CC1(C)[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925563893 821385741 /nfs/dbraw/zinc/38/57/41/821385741.db2.gz WSKGNFVCTLXPJY-DGADGQDISA-N 2 0 277.456 1.979 10 0 CDAERP CCN1C[C@H]([NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1=O ZINC000925683214 821528522 /nfs/dbraw/zinc/52/85/22/821528522.db2.gz MQIWXTRNOCCZNZ-GRYCIOLGSA-N 2 0 253.390 1.103 10 0 CDAERP C[C@@H]1CCCN(C(=O)C=C2CC[NH2+]CC2)[C@@H]1CCC[NH3+] ZINC000852912890 821566959 /nfs/dbraw/zinc/56/69/59/821566959.db2.gz ZFQZETDYEFZVEG-UKRRQHHQSA-N 2 0 279.428 1.662 10 0 CDAERP CCC[C@H](C)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925855506 821570225 /nfs/dbraw/zinc/57/02/25/821570225.db2.gz PLLXFTOJJGUVLI-NWDGAFQWSA-N 2 0 254.374 1.450 10 0 CDAERP FC(F)(F)C(F)(F)OCC[NH2+]C1CC[NH2+]CC1 ZINC000720293226 821605982 /nfs/dbraw/zinc/60/59/82/821605982.db2.gz LTWVCGUTEQBVSE-UHFFFAOYSA-N 2 0 262.222 1.500 10 0 CDAERP CC(=O)NCCCCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000929848072 821621424 /nfs/dbraw/zinc/62/14/24/821621424.db2.gz PXEYJJASUBTICQ-CVEARBPZSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)[C@H]1CC[NH2+]C1 ZINC000062113089 821636944 /nfs/dbraw/zinc/63/69/44/821636944.db2.gz PCBCGMVLLJTCCF-NWDGAFQWSA-N 2 0 264.373 1.024 10 0 CDAERP C[C@H]([NH3+])c1ccc(NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)cc1 ZINC000870936864 821753462 /nfs/dbraw/zinc/75/34/62/821753462.db2.gz DMATUIBNXLCWOT-LIBKGXAOSA-N 2 0 259.353 1.772 10 0 CDAERP C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000720902597 821779997 /nfs/dbraw/zinc/77/99/97/821779997.db2.gz UMZBSFCNNRURCV-BARDWOONSA-N 2 0 279.428 1.589 10 0 CDAERP C[N@@H+]1CCN(CC[NH2+]Cc2ccnc(F)c2)CC1(C)C ZINC000858161501 821809808 /nfs/dbraw/zinc/80/98/08/821809808.db2.gz AAKKPFXRNIPSPC-UHFFFAOYSA-N 2 0 280.391 1.336 10 0 CDAERP COC(=O)c1cc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)n(C)c1C ZINC000925768537 821830174 /nfs/dbraw/zinc/83/01/74/821830174.db2.gz KDYUMDYNFAOKMD-ABAIWWIYSA-N 2 0 293.411 1.598 10 0 CDAERP [NH3+]C1(C[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)CCOCC1 ZINC000925719541 821843649 /nfs/dbraw/zinc/84/36/49/821843649.db2.gz OUHNJKKPZMEJAU-MGPQQGTHSA-N 2 0 268.401 1.289 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(-n2cnnn2)cc1 ZINC000925875899 821851819 /nfs/dbraw/zinc/85/18/19/821851819.db2.gz OTFZXHCULVQGTD-SCRDCRAPSA-N 2 0 286.383 1.440 10 0 CDAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1ccns1)CC2 ZINC000923443492 821858261 /nfs/dbraw/zinc/85/82/61/821858261.db2.gz FCXSWCFHEXZEAP-NSHDSACASA-N 2 0 267.398 1.473 10 0 CDAERP [NH3+]CCCCCc1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000842649795 821876919 /nfs/dbraw/zinc/87/69/19/821876919.db2.gz GYNJUIOXWGDCBL-UHFFFAOYSA-N 2 0 260.341 1.867 10 0 CDAERP C[NH+](C)CCCC1CC[NH+](C[C@@H](O)C2(O)CCCC2)CC1 ZINC000930146605 821878718 /nfs/dbraw/zinc/87/87/18/821878718.db2.gz VGUYOWBNMSAVDE-MRXNPFEDSA-N 2 0 298.471 1.706 10 0 CDAERP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000713031694 821895870 /nfs/dbraw/zinc/89/58/70/821895870.db2.gz YXMXVRXQWHDNOU-QWHCGFSZSA-N 2 0 267.417 1.303 10 0 CDAERP CCOC(=O)[C@]1(F)C[N@H+](CC[C@H]2CC[NH2+]C2)CC12CCC2 ZINC000852754954 821926582 /nfs/dbraw/zinc/92/65/82/821926582.db2.gz QWIVHUPYUPUPBC-CZUORRHYSA-N 2 0 298.402 1.743 10 0 CDAERP CO[C@H]1CN(CCc2cccs2)[C@](C)(C[NH3+])C1 ZINC000708975284 822072974 /nfs/dbraw/zinc/07/29/74/822072974.db2.gz OJSXJEUWJKJXNL-YPMHNXCESA-N 2 0 254.399 1.729 10 0 CDAERP CN1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)Cc2cccnc21 ZINC000866727508 822161165 /nfs/dbraw/zinc/16/11/65/822161165.db2.gz MTSWHEKKGHNQHW-AWEZNQCLSA-N 2 0 274.412 1.723 10 0 CDAERP Cc1cc([C@H]([NH3+])CC(=O)N[C@@H]2CCC[NH2+]C2)cc(Cl)n1 ZINC000841845966 822226533 /nfs/dbraw/zinc/22/65/33/822226533.db2.gz IKBUWRZSSXECTN-VXGBXAGGSA-N 2 0 296.802 1.302 10 0 CDAERP C[NH+](C)CCNC(=S)NC1CCC(C)([NH+](C)C)CC1 ZINC000865260987 822235349 /nfs/dbraw/zinc/23/53/49/822235349.db2.gz MFYXAYFUJYUQHW-UHFFFAOYSA-N 2 0 286.489 1.275 10 0 CDAERP Cc1cncc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)n1 ZINC000658260536 822313014 /nfs/dbraw/zinc/31/30/14/822313014.db2.gz AJEUWZADPFIHFA-BZUAXINKSA-N 2 0 274.412 1.790 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)CC1 ZINC000928077755 822339145 /nfs/dbraw/zinc/33/91/45/822339145.db2.gz IFGNJDUTTJUJJA-CHWSQXEVSA-N 2 0 297.468 1.024 10 0 CDAERP C[C@@H](c1nc(-c2ccn3c[nH+]cc3c2)no1)[C@H](C)[NH3+] ZINC000823167731 822361277 /nfs/dbraw/zinc/36/12/77/822361277.db2.gz KVZVKELNSWRTFA-BDAKNGLRSA-N 2 0 257.297 1.835 10 0 CDAERP CCC[NH+]1CCC(CNC(=[NH2+])NC[C@H]2CCCO2)CC1 ZINC000848996369 822373638 /nfs/dbraw/zinc/37/36/38/822373638.db2.gz WWSMSEYSAZYCFE-CQSZACIVSA-N 2 0 282.432 1.401 10 0 CDAERP Cc1cccc(C)c1OCCCN1CC[NH2+]CC[NH2+]CC1 ZINC000923461119 822386150 /nfs/dbraw/zinc/38/61/50/822386150.db2.gz MAAPXIRTQKSEPM-UHFFFAOYSA-N 2 0 291.439 1.567 10 0 CDAERP CC(C)CC[C@@H](O)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000923411337 822387181 /nfs/dbraw/zinc/38/71/81/822387181.db2.gz RGHDQMBAKKJDDU-SJORKVTESA-N 2 0 298.471 1.874 10 0 CDAERP CN(C(=O)CC[C@H]1CCCC[N@@H+]1C)C1CCC([NH3+])CC1 ZINC000832832713 822410097 /nfs/dbraw/zinc/41/00/97/822410097.db2.gz REBRBLQKIQSXNA-SHARSMKWSA-N 2 0 281.444 1.979 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)C[C@H](O)c1ccc(F)cc1 ZINC000923402394 822461808 /nfs/dbraw/zinc/46/18/08/822461808.db2.gz GHEURKUTUPSBSS-AWEZNQCLSA-N 2 0 270.348 1.027 10 0 CDAERP c1cc(C[NH2+]CCOC2CCC2)n(-c2cc[nH+]cc2)n1 ZINC000850165686 822497950 /nfs/dbraw/zinc/49/79/50/822497950.db2.gz LFPIBDSQGDEJIE-UHFFFAOYSA-N 2 0 272.352 1.926 10 0 CDAERP CC[NH2+]CC(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000309767549 822508683 /nfs/dbraw/zinc/50/86/83/822508683.db2.gz ZWPXARZNGJHGGK-CYBMUJFWSA-N 2 0 263.385 1.233 10 0 CDAERP CCC[NH+](CCC)CCCNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000848996253 822509937 /nfs/dbraw/zinc/50/99/37/822509937.db2.gz OVVUISWXOZFAPP-CQSZACIVSA-N 2 0 284.448 1.744 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](C)C(C)(C)CC1 ZINC000871154063 822526291 /nfs/dbraw/zinc/52/62/91/822526291.db2.gz RAYILFLBMUHJJV-CYBMUJFWSA-N 2 0 267.417 1.413 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[C@@H]([NH3+])C(C)C)C1 ZINC000713062790 822557573 /nfs/dbraw/zinc/55/75/73/822557573.db2.gz WIMHDLSQZBMZMS-STQMWFEESA-N 2 0 269.433 1.596 10 0 CDAERP CC(C)C[C@@H](CNC(=[NH2+])NC1CC1)[NH+]1CCCC1 ZINC000066245081 822643974 /nfs/dbraw/zinc/64/39/74/822643974.db2.gz OJLVFFZVFRSSBN-ZDUSSCGKSA-N 2 0 252.406 1.564 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH2+]Cc1ccns1 ZINC001569269761 1167556782 /nfs/dbraw/zinc/55/67/82/1167556782.db2.gz CYTBOYRRRWCBSX-UHFFFAOYSA-N 2 0 298.456 1.421 10 0 CDAERP CC[NH+](CC)C1CCN(C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC001646280697 1167742213 /nfs/dbraw/zinc/74/22/13/1167742213.db2.gz UTDRGZVMJJQDLZ-OAHLLOKOSA-N 2 0 281.444 1.171 10 0 CDAERP CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001565908718 1168199099 /nfs/dbraw/zinc/19/90/99/1168199099.db2.gz WZBGODYQUSHDSA-HZSPNIEDSA-N 2 0 267.417 1.223 10 0 CDAERP O=C(N[C@@H]1CCC[C@H]1C[NH2+]CCF)C12CCC[NH+]1CCC2 ZINC001272280732 912616919 /nfs/dbraw/zinc/61/69/19/912616919.db2.gz MGGVNJDMGBEUAY-UONOGXRCSA-N 2 0 297.418 1.459 10 0 CDAERP CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001272281696 912627198 /nfs/dbraw/zinc/62/71/98/912627198.db2.gz UHVXUWXLCXDHMG-LSDHHAIUSA-N 2 0 293.455 1.899 10 0 CDAERP CC(C)CCC[N@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001480873678 894854079 /nfs/dbraw/zinc/85/40/79/894854079.db2.gz RHDVSEKNZLQOKZ-UHFFFAOYSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001266583350 895457255 /nfs/dbraw/zinc/45/72/55/895457255.db2.gz VAPOIKHTHQXDED-MGPQQGTHSA-N 2 0 265.401 1.284 10 0 CDAERP CC(C)[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001283145849 895994573 /nfs/dbraw/zinc/99/45/73/895994573.db2.gz ITIWPNPGPRSNKU-QWHCGFSZSA-N 2 0 255.406 1.364 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1C[NH2+]CCF ZINC001266880970 896271872 /nfs/dbraw/zinc/27/18/72/896271872.db2.gz QWEFYQLSNLXYMY-ZDUSSCGKSA-N 2 0 273.396 1.268 10 0 CDAERP CCC[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001267128872 896879590 /nfs/dbraw/zinc/87/95/90/896879590.db2.gz DHBRBSVEAVAGGO-MELADBBJSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCCF ZINC001267134682 896891597 /nfs/dbraw/zinc/89/15/97/896891597.db2.gz LFIPDQWKWDHYSW-CHWSQXEVSA-N 2 0 273.396 1.315 10 0 CDAERP CCCC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001283534798 897602212 /nfs/dbraw/zinc/60/22/12/897602212.db2.gz ZLGPLSVKELWATP-GDBMZVCRSA-N 2 0 295.471 1.955 10 0 CDAERP CN(CC[NH2+]CCF)C(=O)CCC[NH+]1CCCCC1 ZINC001567607200 1168884640 /nfs/dbraw/zinc/88/46/40/1168884640.db2.gz RPTCURMWPRQMTA-UHFFFAOYSA-N 2 0 273.396 1.270 10 0 CDAERP CCCN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](CC)C1 ZINC001267548440 898319909 /nfs/dbraw/zinc/31/99/09/898319909.db2.gz FSOVECRMLLZTTA-AWEZNQCLSA-N 2 0 267.417 1.415 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCN[C@H]1C[NH+]2C[C@@H]1CCC2 ZINC000924572882 898362692 /nfs/dbraw/zinc/36/26/92/898362692.db2.gz MXFOYCNBAJBTMB-PMPSAXMXSA-N 2 0 265.445 1.935 10 0 CDAERP CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1cnoc1C)[NH+](C)C ZINC001419689625 898409387 /nfs/dbraw/zinc/40/93/87/898409387.db2.gz ZOBHRHVWTRGDOI-SMDDNHRTSA-N 2 0 296.415 1.260 10 0 CDAERP CC1(C)[C@H]([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)[C@H]2CCO[C@@H]21 ZINC000925522378 899489135 /nfs/dbraw/zinc/48/91/35/899489135.db2.gz NAJZNBANRVMPSE-MLGHIDQZSA-N 2 0 250.386 1.659 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CC=C(C)C ZINC001267806774 899779851 /nfs/dbraw/zinc/77/98/51/899779851.db2.gz ZVRABRSNBLNIRA-CVEARBPZSA-N 2 0 293.455 1.779 10 0 CDAERP COCCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001268001017 900238599 /nfs/dbraw/zinc/23/85/99/900238599.db2.gz UPQNFJBDUISORL-KKUMJFAQSA-N 2 0 299.459 1.095 10 0 CDAERP CO[C@H](C)C[NH2+][C@@H](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001481343527 900461154 /nfs/dbraw/zinc/46/11/54/900461154.db2.gz UQKBEPSNPMWMRL-KGLIPLIRSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)C[NH+]1CC(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001481565413 901222287 /nfs/dbraw/zinc/22/22/87/901222287.db2.gz QMGQAWYUKXYREK-AWEZNQCLSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@@H](C[NH2+]CCC1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001268099929 901287360 /nfs/dbraw/zinc/28/73/60/901287360.db2.gz JEAGKJLJSYUUED-JSGCOSHPSA-N 2 0 267.417 1.175 10 0 CDAERP CC(C)C[C@@H](C[NH2+]CCCF)NC(=O)C12CC[NH+](CC1)C2 ZINC001268115622 901326175 /nfs/dbraw/zinc/32/61/75/901326175.db2.gz VZQUXGMEYXJYBF-AWEZNQCLSA-N 2 0 299.434 1.562 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]CCF)CCC1 ZINC001268283650 901741479 /nfs/dbraw/zinc/74/14/79/901741479.db2.gz ZTNIBKLSTRXUFV-OLZOCXBDSA-N 2 0 285.407 1.315 10 0 CDAERP CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[N@H+](C)C(C)C ZINC001268293738 901767415 /nfs/dbraw/zinc/76/74/15/901767415.db2.gz GXLFSENZCAFFIW-KBPBESRZSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001268348330 901912439 /nfs/dbraw/zinc/91/24/39/901912439.db2.gz GMWGLYLSUMAXHR-KBPBESRZSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@H](CC[NH2+]C[C@H]1CCCCO1)NC(=O)C[NH+]1CCCC1 ZINC001268422587 902037815 /nfs/dbraw/zinc/03/78/15/902037815.db2.gz FLMNMIMHQHFKPZ-HUUCEWRRSA-N 2 0 297.443 1.136 10 0 CDAERP CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CCC1CC1 ZINC001481868058 902245187 /nfs/dbraw/zinc/24/51/87/902245187.db2.gz DIFMETXNTBHIMC-AWEZNQCLSA-N 2 0 279.428 1.367 10 0 CDAERP C[NH+](C)CCCC(=O)N1CCC[C@H](CC[NH2+]CC2CC2)C1 ZINC001481983202 902432085 /nfs/dbraw/zinc/43/20/85/902432085.db2.gz RBYBQKZAXWTEHL-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP CC[C@H](C(=O)NC/C=C/C[NH2+]Cc1cnoc1C)[NH+](C)C ZINC001268557177 902558976 /nfs/dbraw/zinc/55/89/76/902558976.db2.gz QTHIRLIHKZRARG-PSKZRQQASA-N 2 0 294.399 1.085 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C[NH2+]CCF ZINC001482134253 902688690 /nfs/dbraw/zinc/68/86/90/902688690.db2.gz AIJXOUMBACHYAB-AGIUHOORSA-N 2 0 273.396 1.028 10 0 CDAERP C[C@H](C[NH2+]CC=C(Cl)Cl)NC(=O)CCC[NH+](C)C ZINC001268660278 902914636 /nfs/dbraw/zinc/91/46/36/902914636.db2.gz QNOLSQNAPXCWKW-SNVBAGLBSA-N 2 0 296.242 1.742 10 0 CDAERP CC/C=C/CCN1CCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001482198071 903233640 /nfs/dbraw/zinc/23/36/40/903233640.db2.gz HMVPGDMSCAKKNL-LLYBFZRZSA-N 2 0 297.443 1.111 10 0 CDAERP CC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001268915349 903241851 /nfs/dbraw/zinc/24/18/51/903241851.db2.gz LFCNTLOVAWUJFC-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP CCC[NH2+]C[C@@H](NC(=O)C[N@H+](C)C(C)C)C1CC1 ZINC001269148507 903482113 /nfs/dbraw/zinc/48/21/13/903482113.db2.gz DPECMXHOEAHAGZ-CYBMUJFWSA-N 2 0 255.406 1.221 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001269249789 903607095 /nfs/dbraw/zinc/60/70/95/903607095.db2.gz UNPGQZSSGIANRT-CQSZACIVSA-N 2 0 281.444 1.851 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001269411380 903787217 /nfs/dbraw/zinc/78/72/17/903787217.db2.gz DRZSHMIWURXPLX-AWEZNQCLSA-N 2 0 281.444 1.898 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N[C@](C)(C[NH2+]CCCF)C2CC2)C1 ZINC001269644505 904006163 /nfs/dbraw/zinc/00/61/63/904006163.db2.gz GPFJYNUYSQWIRE-CZUORRHYSA-N 2 0 299.434 1.562 10 0 CDAERP CC[NH2+]CC[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001269760729 904092192 /nfs/dbraw/zinc/09/21/92/904092192.db2.gz RMVDRQGXWKDVAS-CQSZACIVSA-N 2 0 269.433 1.566 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCCOC)C[C@H]1C ZINC001269973908 904242689 /nfs/dbraw/zinc/24/26/89/904242689.db2.gz VIQFRWYMFFUKFW-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCCOC)C[C@@H]1C ZINC001269973907 904243706 /nfs/dbraw/zinc/24/37/06/904243706.db2.gz VIQFRWYMFFUKFW-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001270122267 904378582 /nfs/dbraw/zinc/37/85/82/904378582.db2.gz YBIUOHIDUAQYSE-ZIAGYGMSSA-N 2 0 299.434 1.657 10 0 CDAERP C[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+]C/C=C\Cl)CC1 ZINC001270258685 904484545 /nfs/dbraw/zinc/48/45/45/904484545.db2.gz CCHUURKZYVKPEZ-NMNMAYGDSA-N 2 0 299.846 1.661 10 0 CDAERP CC[C@@H](C(=O)NCC1C[NH+](CC=C(C)C)C1)[NH+](C)C ZINC001567845529 1169011152 /nfs/dbraw/zinc/01/11/52/1169011152.db2.gz ABTDMPMYZGTTNT-AWEZNQCLSA-N 2 0 267.417 1.341 10 0 CDAERP CC[C@@H]1CN(C(=O)[C@@H](C)CC[NH+](C)C)C[C@H](C)[NH2+]1 ZINC001167964908 904694979 /nfs/dbraw/zinc/69/49/79/904694979.db2.gz NQMNHBCOWYTSID-RWMBFGLXSA-N 2 0 255.406 1.173 10 0 CDAERP CCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001501083143 905171012 /nfs/dbraw/zinc/17/10/12/905171012.db2.gz DWDCEIWZVVYBIB-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001270995214 905533878 /nfs/dbraw/zinc/53/38/78/905533878.db2.gz IVFWPTHNVAAFRT-GFCCVEGCSA-N 2 0 255.406 1.317 10 0 CDAERP CCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCCC1 ZINC001567866749 1169029271 /nfs/dbraw/zinc/02/92/71/1169029271.db2.gz USUHGZJBMFOMOE-GJZGRUSLSA-N 2 0 279.428 1.558 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001271082964 905622765 /nfs/dbraw/zinc/62/27/65/905622765.db2.gz NNKCEWQRWZERCB-CQSZACIVSA-N 2 0 281.444 1.731 10 0 CDAERP CC(C)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001271609446 906547292 /nfs/dbraw/zinc/54/72/92/906547292.db2.gz PEJSZIQFUJAVKR-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CCCF ZINC001271922996 906982417 /nfs/dbraw/zinc/98/24/17/906982417.db2.gz OVBHWWBYJIJDBS-ZIAGYGMSSA-N 2 0 287.423 1.418 10 0 CDAERP Cc1nocc1C[NH2+]CC[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001482900531 908465109 /nfs/dbraw/zinc/46/51/09/908465109.db2.gz CSLZMXNKUKXWTL-LBPRGKRZSA-N 2 0 296.415 1.308 10 0 CDAERP C[N@@H+]1CC[C@@H]1CNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000922291608 921482638 /nfs/dbraw/zinc/48/26/38/921482638.db2.gz DAXWKONYQVDHPW-ROKHWSDSSA-N 2 0 280.416 1.007 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)CC1CC(C)(C)C1 ZINC001409686319 910628325 /nfs/dbraw/zinc/62/83/25/910628325.db2.gz QTUAOLKQPGRRRP-ZFWWWQNUSA-N 2 0 295.471 1.811 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]C/C=C\Cl ZINC001483286124 910790792 /nfs/dbraw/zinc/79/07/92/910790792.db2.gz RIXZCFVKJYOGLM-GZTOBOFZSA-N 2 0 261.797 1.175 10 0 CDAERP CC[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001483297917 910813870 /nfs/dbraw/zinc/81/38/70/910813870.db2.gz GZUYGNYFJRWAJE-KBPBESRZSA-N 2 0 269.433 1.611 10 0 CDAERP CN(CCC[N@H+](C)CCC(F)(F)F)C(=O)CC[NH+](C)C ZINC001484757948 916147112 /nfs/dbraw/zinc/14/71/12/916147112.db2.gz YLOIAJBNXDYLPU-UHFFFAOYSA-N 2 0 297.365 1.671 10 0 CDAERP C[C@@H]([NH2+]CCC1CC1)[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001485158983 916615385 /nfs/dbraw/zinc/61/53/85/916615385.db2.gz UIZLABMWHHUMDK-OLZOCXBDSA-N 2 0 281.444 1.754 10 0 CDAERP COCCC[N@@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001485585974 917110691 /nfs/dbraw/zinc/11/06/91/917110691.db2.gz OFIQVYWQKVQDLZ-AWEZNQCLSA-N 2 0 299.459 1.190 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCCF)C1 ZINC001485689091 917185029 /nfs/dbraw/zinc/18/50/29/917185029.db2.gz QOTDGMRODIGDDT-IHRRRGAJSA-N 2 0 285.407 1.315 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CNCc1cnn(Cc2ccccc2)c1 ZINC000390138407 936649898 /nfs/dbraw/zinc/64/98/98/936649898.db2.gz NFHFTKVSTYGKOO-PBHICJAKSA-N 2 0 284.407 1.877 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001485882945 920543674 /nfs/dbraw/zinc/54/36/74/920543674.db2.gz YCHWYFINQSMZQM-AWEZNQCLSA-N 2 0 281.444 1.873 10 0 CDAERP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CC1CC(C)(C)C1 ZINC001485918521 920576885 /nfs/dbraw/zinc/57/68/85/920576885.db2.gz GMOYAOXMDAQWBF-CYBMUJFWSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]CCC(F)(F)F ZINC001485960512 920626997 /nfs/dbraw/zinc/62/69/97/920626997.db2.gz HSFJEHJIYNNYKZ-NSHDSACASA-N 2 0 297.365 1.716 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC)[C@@H]2C1 ZINC001486165625 920769153 /nfs/dbraw/zinc/76/91/53/920769153.db2.gz HPCAEOAUBNUXQN-ZNMIVQPWSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001486222705 920833750 /nfs/dbraw/zinc/83/37/50/920833750.db2.gz ZQSKKNIZHBSNSP-KGLIPLIRSA-N 2 0 269.433 1.610 10 0 CDAERP CCN(CC[NH2+]CCC[C@@H](C)O)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001273554904 920892187 /nfs/dbraw/zinc/89/21/87/920892187.db2.gz SJPDQQIZPITHTD-CABCVRRESA-N 2 0 299.459 1.070 10 0 CDAERP CCC[NH2+]C[C@@H](C)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001568313058 1169239403 /nfs/dbraw/zinc/23/94/03/1169239403.db2.gz VCSPMDBAQPFQDH-OLZOCXBDSA-N 2 0 255.406 1.175 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001568312053 1169240300 /nfs/dbraw/zinc/24/03/00/1169240300.db2.gz HCFVAPGDBSJZGF-CQSZACIVSA-N 2 0 279.428 1.485 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]CC2CCCCC2)C1 ZINC001649439953 1169253799 /nfs/dbraw/zinc/25/37/99/1169253799.db2.gz LOVPJRVCVLFRRH-HNNXBMFYSA-N 2 0 295.471 1.957 10 0 CDAERP C[NH+](C)CCCC[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000710914817 923254615 /nfs/dbraw/zinc/25/46/15/923254615.db2.gz GJUHMKYLIQPYTQ-UHFFFAOYSA-N 2 0 285.432 1.785 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001490927886 936831908 /nfs/dbraw/zinc/83/19/08/936831908.db2.gz FAMQSPZPCIEOCD-RBSFLKMASA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)OCC[NH2+][C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001491026278 936843617 /nfs/dbraw/zinc/84/36/17/936843617.db2.gz XQTVUMGVGFMAPP-OKILXGFUSA-N 2 0 297.443 1.133 10 0 CDAERP CCOCCOCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000923413428 923817245 /nfs/dbraw/zinc/81/72/45/923817245.db2.gz DQZYHPQHZQDPAZ-KGLIPLIRSA-N 2 0 256.390 1.113 10 0 CDAERP CC(C)COC[C@H](O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000923415570 923820464 /nfs/dbraw/zinc/82/04/64/923820464.db2.gz USRCQJOFWMYJQZ-KFWWJZLASA-N 2 0 270.417 1.094 10 0 CDAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1ccncc1)CC2 ZINC000923450025 923841486 /nfs/dbraw/zinc/84/14/86/923841486.db2.gz DQNVDRMTBFLYME-CQSZACIVSA-N 2 0 261.369 1.411 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001491180819 936870175 /nfs/dbraw/zinc/87/01/75/936870175.db2.gz WCXRNUJCAQCNQK-GJZGRUSLSA-N 2 0 281.444 1.566 10 0 CDAERP C[NH+](C)CC1(C(=O)N2CCCC[C@@H]2C[NH2+]CCCF)CC1 ZINC001491260453 936885433 /nfs/dbraw/zinc/88/54/33/936885433.db2.gz OEFVOJZXIXGNGI-CQSZACIVSA-N 2 0 299.434 1.659 10 0 CDAERP CC/C=C/CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001491324807 936894722 /nfs/dbraw/zinc/89/47/22/936894722.db2.gz OQQKUVOGWKOOQM-IACCOMHPSA-N 2 0 279.428 1.341 10 0 CDAERP CC1CC(C[N@@H+]2CC[C@H]2CN(C)C(=O)C[NH+]2CCCC2)C1 ZINC001488691110 926649490 /nfs/dbraw/zinc/64/94/90/926649490.db2.gz HXDFWWYBQZZAKJ-GPANFISMSA-N 2 0 293.455 1.661 10 0 CDAERP CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC)CC[C@@H]2C1)[NH+](CC)CC ZINC001489201853 926827731 /nfs/dbraw/zinc/82/77/31/926827731.db2.gz YUTVGXCYGBBNQQ-OWCLPIDISA-N 2 0 295.471 1.907 10 0 CDAERP CC[NH+](CC)CC[C@H](CO)NC[C@H](O)c1ccccc1C ZINC000843103208 937112754 /nfs/dbraw/zinc/11/27/54/937112754.db2.gz KKEUCHNWIJQNIV-WBVHZDCISA-N 2 0 294.439 1.711 10 0 CDAERP C[N@@H+](C/C=C/Cl)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001490280342 927072826 /nfs/dbraw/zinc/07/28/26/927072826.db2.gz XFSQCMNFSCVCCD-MJRJWQSSSA-N 2 0 273.808 1.129 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H](C[N@H+](C)CCCF)C1 ZINC001490770046 927333835 /nfs/dbraw/zinc/33/38/35/927333835.db2.gz AJUMFSFHCDIHCG-AWEZNQCLSA-N 2 0 287.423 1.468 10 0 CDAERP CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)Cn2ccnc2)C1 ZINC001490782210 927340876 /nfs/dbraw/zinc/34/08/76/927340876.db2.gz IMKNGLNLMZUJFF-HNNXBMFYSA-N 2 0 292.427 1.854 10 0 CDAERP COCCOCC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693663741 937249277 /nfs/dbraw/zinc/24/92/77/937249277.db2.gz JQPUWQFKLHLBBN-FRRDWIJNSA-N 2 0 256.390 1.016 10 0 CDAERP COc1c(C)cc(C[NH2+]CCOCCC[NH3+])cc1C ZINC000863483453 929557876 /nfs/dbraw/zinc/55/78/76/929557876.db2.gz BJTCQIJNOSJDCV-UHFFFAOYSA-N 2 0 266.385 1.767 10 0 CDAERP CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001274124880 931185706 /nfs/dbraw/zinc/18/57/06/931185706.db2.gz KJEHNVCTLHPBID-SZZPACECSA-N 2 0 253.390 1.143 10 0 CDAERP CCOCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]1C ZINC001274662725 931533643 /nfs/dbraw/zinc/53/36/43/931533643.db2.gz LFWRBBUGGMBZNQ-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP C[NH2+]CCCCC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000719726813 932244947 /nfs/dbraw/zinc/24/49/47/932244947.db2.gz AXIAVYXZRVHYII-STQMWFEESA-N 2 0 255.406 1.365 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)NCC[C@H]2CCC[NH+](C)C2)C1 ZINC001412216423 932328420 /nfs/dbraw/zinc/32/84/20/932328420.db2.gz LFOZHZQFYDFLMZ-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N2CCC[NH+]3CCC[C@@H]3C2)C1 ZINC001412473992 932444153 /nfs/dbraw/zinc/44/41/53/932444153.db2.gz YREAOJBHKHXJGW-JKSUJKDBSA-N 2 0 293.455 1.804 10 0 CDAERP CC[NH+](CC)C1CCN(C(=O)[C@H](C)CC[NH+](C)C)CC1 ZINC001412521426 932465908 /nfs/dbraw/zinc/46/59/08/932465908.db2.gz KBYHNYJEHCFLLW-CQSZACIVSA-N 2 0 283.460 1.907 10 0 CDAERP CC[C@H](C(=O)N(C)CCC[NH2+]CC1CCOCC1)[NH+](C)C ZINC001276071396 932490413 /nfs/dbraw/zinc/49/04/13/932490413.db2.gz RYZSTEAYDPLSTL-OAHLLOKOSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[NH2+]CCCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001276297814 932714552 /nfs/dbraw/zinc/71/45/52/932714552.db2.gz MZHGYRUKOKLYCP-UHFFFAOYSA-N 2 0 269.433 1.566 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCCN2CCOC2=O)C1 ZINC000925476393 932890813 /nfs/dbraw/zinc/89/08/13/932890813.db2.gz JNPCQKSASLWEIJ-VXGBXAGGSA-N 2 0 269.389 1.324 10 0 CDAERP C[C@@H]1CC[C@@H](N[C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C[NH2+]1 ZINC000925720169 932931556 /nfs/dbraw/zinc/93/15/56/932931556.db2.gz XINVZOJUMYGHOT-POQQGIQPSA-N 2 0 251.418 1.493 10 0 CDAERP CN(CC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)CC(F)F ZINC000925725161 932932253 /nfs/dbraw/zinc/93/22/53/932932253.db2.gz QSSIJAKKJVVSJC-QWRGUYRKSA-N 2 0 263.376 1.679 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+]CCCCCN2CC[NH2+]CC2)C1(C)C ZINC000925844366 932945590 /nfs/dbraw/zinc/94/55/90/932945590.db2.gz KKJSOEDRQOUEMV-JKSUJKDBSA-N 2 0 297.487 1.855 10 0 CDAERP CC(C)CC[NH2+]CCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001276333457 935017652 /nfs/dbraw/zinc/01/76/52/935017652.db2.gz SSMBKNTWUBYOKA-OAHLLOKOSA-N 2 0 283.460 1.812 10 0 CDAERP COC[C@H](C)C[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000249956851 938931986 /nfs/dbraw/zinc/93/19/86/938931986.db2.gz VUZGYKWTFIFFNT-KGLIPLIRSA-N 2 0 265.401 1.957 10 0 CDAERP C[C@H](CC[NH2+]C/C=C/Cl)NC(=O)C12CC[NH+](CC1)C2 ZINC001568698209 1169435114 /nfs/dbraw/zinc/43/51/14/1169435114.db2.gz ATZDJXFLTRWZAA-RDNKVPPGSA-N 2 0 285.819 1.319 10 0 CDAERP CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001276729433 940908801 /nfs/dbraw/zinc/90/88/01/940908801.db2.gz ZHQSSLPNNNZISI-FQUUOJAGSA-N 2 0 267.417 1.031 10 0 CDAERP CCC[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]3C[C@@H](C)C[N@@H+]3C2)CC1 ZINC001362027369 970790886 /nfs/dbraw/zinc/79/08/86/970790886.db2.gz AKUIDOXQPGYTNS-BZUAXINKSA-N 2 0 293.455 1.661 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C[NH+]1CCCC1 ZINC001362064768 970839971 /nfs/dbraw/zinc/83/99/71/970839971.db2.gz LYGKDEUKDZUCKI-BZUAXINKSA-N 2 0 295.471 1.955 10 0 CDAERP OCCCC[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001473876806 970875586 /nfs/dbraw/zinc/87/55/86/970875586.db2.gz QPZNMYUDJKVFQX-UHFFFAOYSA-N 2 0 270.417 1.072 10 0 CDAERP CC[NH2+]CCC[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001277216220 942182390 /nfs/dbraw/zinc/18/23/90/942182390.db2.gz BKLBOFLHLQSBGR-CQSZACIVSA-N 2 0 281.444 1.757 10 0 CDAERP O=C1OCC[C@@]12CC[N@H+](CCC[NH+]1CCCCC1)C2 ZINC001473899840 970889434 /nfs/dbraw/zinc/88/94/34/970889434.db2.gz UCPSFBVDAQNSAD-OAHLLOKOSA-N 2 0 266.385 1.501 10 0 CDAERP C[C@@H](NC(=O)C1([NH+](C)C)CCCC1)C(C)(C)C[NH+](C)C ZINC001362115097 970896225 /nfs/dbraw/zinc/89/62/25/970896225.db2.gz UTFSBAGHIYDFCG-CYBMUJFWSA-N 2 0 283.460 1.953 10 0 CDAERP O=C(CC[N@H+]1CC[C@H](F)C1)NC1CC[NH+](CC2CC2)CC1 ZINC001362125001 970917615 /nfs/dbraw/zinc/91/76/15/970917615.db2.gz UXYGNIOHMJDADG-AWEZNQCLSA-N 2 0 297.418 1.411 10 0 CDAERP CC(C)C[N@H+](C)CCOCCNC(=O)C1CC[NH+](C)CC1 ZINC001283408892 942893308 /nfs/dbraw/zinc/89/33/08/942893308.db2.gz SZRFGXHRPZAWMD-UHFFFAOYSA-N 2 0 299.459 1.049 10 0 CDAERP CC[C@@H](C(=O)N(C)[C@H](C[NH2+]CCF)C1CC1)[NH+](C)C ZINC001283545077 942928875 /nfs/dbraw/zinc/92/88/75/942928875.db2.gz SSDNDRLDPFCUJS-QWHCGFSZSA-N 2 0 273.396 1.123 10 0 CDAERP CCCCN1CC(N(C)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001277610979 943137497 /nfs/dbraw/zinc/13/74/97/943137497.db2.gz RYYXBWXLCPNNEJ-UHFFFAOYSA-N 2 0 267.417 1.413 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001277621522 943154417 /nfs/dbraw/zinc/15/44/17/943154417.db2.gz BPWXFRDIPFFOFU-JKSUJKDBSA-N 2 0 293.455 1.873 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C(C)(C)C ZINC001284633311 943229652 /nfs/dbraw/zinc/22/96/52/943229652.db2.gz WHXZNRBGZTYHAV-QWHCGFSZSA-N 2 0 269.433 1.469 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCCF)C1 ZINC001284771795 943257022 /nfs/dbraw/zinc/25/70/22/943257022.db2.gz VPAVUINJZPFRHF-NRXISQOPSA-N 2 0 299.434 1.799 10 0 CDAERP COCCCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001277865118 943892582 /nfs/dbraw/zinc/89/25/82/943892582.db2.gz XOZJWHFJVYOAQQ-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP C[N@@H+]1CCC[C@H]2C[NH+](CC3CCC(O)CC3)CC[C@H]21 ZINC000389464193 944175653 /nfs/dbraw/zinc/17/56/53/944175653.db2.gz YZLACYRJTZOUTI-BHDPWAOGSA-N 2 0 266.429 1.954 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)C1CC1 ZINC001265165575 944256748 /nfs/dbraw/zinc/25/67/48/944256748.db2.gz ATWRVPUVXYYOJG-AWEZNQCLSA-N 2 0 267.417 1.461 10 0 CDAERP CC[N@H+](CCCNC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001265184079 944265020 /nfs/dbraw/zinc/26/50/20/944265020.db2.gz PXIDDYFDMJCFEI-UHFFFAOYSA-N 2 0 281.444 1.853 10 0 CDAERP CC[N@H+](CCCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001265183698 944265416 /nfs/dbraw/zinc/26/54/16/944265416.db2.gz CHIFQUFTTCXOBQ-UHFFFAOYSA-N 2 0 253.390 1.073 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001265670078 944464422 /nfs/dbraw/zinc/46/44/22/944464422.db2.gz LCJSMFUDFZWDOB-JKSUJKDBSA-N 2 0 293.455 1.709 10 0 CDAERP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]CCCF ZINC001265832969 944531279 /nfs/dbraw/zinc/53/12/79/944531279.db2.gz UJDNYQGWTZVZIA-LBPRGKRZSA-N 2 0 273.396 1.172 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)C(C)C ZINC001278004927 944555953 /nfs/dbraw/zinc/55/59/53/944555953.db2.gz HMZHZAYOFXTLQH-CYBMUJFWSA-N 2 0 255.406 1.317 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]CCC2CC2)C1 ZINC001266040718 944648736 /nfs/dbraw/zinc/64/87/36/944648736.db2.gz NCJKLBGQCILDEG-OAHLLOKOSA-N 2 0 281.444 1.565 10 0 CDAERP CC1(C)C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])C[C@@H]([NH3+])C1 ZINC001262202187 946517874 /nfs/dbraw/zinc/51/78/74/946517874.db2.gz PBZHAZFIQWPASM-YIYPIFLZSA-N 3 0 253.434 2.000 10 0 CDAERP CC(C)[C@H](C(=O)NC/C=C/C[NH2+]CCF)[NH+]1CCCCC1 ZINC001568971720 1169567813 /nfs/dbraw/zinc/56/78/13/1169567813.db2.gz OOZQSULROZPMGF-MBVDDHJVSA-N 2 0 299.434 1.728 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001479790370 971420122 /nfs/dbraw/zinc/42/01/22/971420122.db2.gz KVIANVKBUOZGSI-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@@H](C(=O)NCCC[N@H+](C)C[C@@H]1CCCCO1)[NH+](C)C ZINC001479808073 971432517 /nfs/dbraw/zinc/43/25/17/971432517.db2.gz OZMIRSZVHSUOLR-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP CCCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001568991564 1169583077 /nfs/dbraw/zinc/58/30/77/1169583077.db2.gz BWUXVGNIYITAMM-TZMCWYRMSA-N 2 0 267.417 1.223 10 0 CDAERP CC/C=C\CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001569002034 1169588879 /nfs/dbraw/zinc/58/88/79/1169588879.db2.gz CLJHJKWQKGRART-JBZXTQMFSA-N 2 0 281.444 1.921 10 0 CDAERP C[C@@H]1C[C@H]2CC[C@H](C(=O)N3C[C@H]4CC[NH+](C)[C@H]4C3)C[N@@H+]2C1 ZINC001362713646 971553537 /nfs/dbraw/zinc/55/35/37/971553537.db2.gz NIVDOCAJEQOIQL-LJIZCISZSA-N 2 0 291.439 1.269 10 0 CDAERP O=C(NC[C@H]([NH2+]CCCF)C1CC1)C12CCC[NH+]1CCC2 ZINC001480031866 971547097 /nfs/dbraw/zinc/54/70/97/971547097.db2.gz XRZMOXWRBUISSP-AWEZNQCLSA-N 2 0 297.418 1.459 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001480436765 971727386 /nfs/dbraw/zinc/72/73/86/971727386.db2.gz WZAIFBUOVBCXNL-STQMWFEESA-N 2 0 253.390 1.141 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001480660014 971827696 /nfs/dbraw/zinc/82/76/96/971827696.db2.gz BZTPYWIHBUDKJL-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@H](O)CCC[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001480734435 971856678 /nfs/dbraw/zinc/85/66/78/971856678.db2.gz FPKPENZIIZEARP-GJZGRUSLSA-N 2 0 299.459 1.022 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001363135316 971916229 /nfs/dbraw/zinc/91/62/29/971916229.db2.gz AJZPOKNZOLNNTL-QLFBSQMISA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H](C(=O)N[C@H]1C[N@H+](C)CC1(C)C)[NH+]1CCCCCC1 ZINC001363623088 953563024 /nfs/dbraw/zinc/56/30/24/953563024.db2.gz XWXRHHSOOZTASL-KBPBESRZSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@H](C)[NH+](C)C ZINC001363670068 953629337 /nfs/dbraw/zinc/62/93/37/953629337.db2.gz GHWMRSOJOHOXEH-KKUMJFAQSA-N 2 0 281.444 1.658 10 0 CDAERP O[C@@H]1CCCC[C@H]1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001363208290 971980575 /nfs/dbraw/zinc/98/05/75/971980575.db2.gz UDGSRWDBECIQBL-GOEBONIOSA-N 2 0 275.396 1.755 10 0 CDAERP CN(CC[NH+](C)C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001294236118 954478439 /nfs/dbraw/zinc/47/84/39/954478439.db2.gz QKKANSDEUBWWIZ-STQMWFEESA-N 2 0 255.406 1.127 10 0 CDAERP O=C(NCCN(CCF)C1CC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001493430475 972051035 /nfs/dbraw/zinc/05/10/35/972051035.db2.gz RDGVSECFRJSWBY-GJZGRUSLSA-N 2 0 297.418 1.553 10 0 CDAERP CCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC2CC1(C[NH3+])C2 ZINC001327614689 954961211 /nfs/dbraw/zinc/96/12/11/954961211.db2.gz XGLWNDZZOMAUMW-JVWICGRDSA-N 2 0 265.401 1.201 10 0 CDAERP CN(CC[NH2+]CC1CCCC1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001493551502 972080461 /nfs/dbraw/zinc/08/04/61/972080461.db2.gz ZRWFRMKRYCARED-INIZCTEOSA-N 2 0 293.455 1.566 10 0 CDAERP Cc1nocc1C[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001493586376 972085886 /nfs/dbraw/zinc/08/58/86/972085886.db2.gz PHNUIHIXELZOBB-AWEZNQCLSA-N 2 0 296.415 1.117 10 0 CDAERP CC[C@@H](F)C[NH2+]CC1(NC(=O)CC[NH+](C)C)CCCC1 ZINC001421511924 955384060 /nfs/dbraw/zinc/38/40/60/955384060.db2.gz NATWHHGMELMZNO-CYBMUJFWSA-N 2 0 287.423 1.705 10 0 CDAERP C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC001364957959 955422615 /nfs/dbraw/zinc/42/26/15/955422615.db2.gz ZBZLPXPDMIBFCT-LSDHHAIUSA-N 2 0 293.455 1.850 10 0 CDAERP CC(C)[C@@H](C(=O)N1CC[C@@H](C[NH2+]CCF)C1)[NH+]1CCCC1 ZINC001491855535 955470285 /nfs/dbraw/zinc/47/02/85/955470285.db2.gz IPJFOWGNWCMTAT-GJZGRUSLSA-N 2 0 299.434 1.514 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001317187956 955587339 /nfs/dbraw/zinc/58/73/39/955587339.db2.gz FVCVYWHFUINSSC-UONOGXRCSA-N 2 0 267.417 1.461 10 0 CDAERP CC[C@@H](C(=O)NC1(CO)CC[NH+](CC)CC1)[NH+](CC)CC ZINC001422201858 955842069 /nfs/dbraw/zinc/84/20/69/955842069.db2.gz UQUJFEJQYMMVAR-AWEZNQCLSA-N 2 0 299.459 1.070 10 0 CDAERP Cc1cc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)on1 ZINC001422543963 956135895 /nfs/dbraw/zinc/13/58/95/956135895.db2.gz PYGVMTGXFYOUTG-OCCSQVGLSA-N 2 0 294.399 1.062 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCF)C1 ZINC001317342574 956191816 /nfs/dbraw/zinc/19/18/16/956191816.db2.gz YKAFNOOYOKCPCZ-HUUCEWRRSA-N 2 0 299.434 1.657 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CC1CC(C)(C)C1)[NH+](C)C ZINC001422699065 956269625 /nfs/dbraw/zinc/26/96/25/956269625.db2.gz VELWXYWFQKNDEO-JSGCOSHPSA-N 2 0 283.460 1.857 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001423110775 956595984 /nfs/dbraw/zinc/59/59/84/956595984.db2.gz JUWBDQPFKYBHKK-JSGCOSHPSA-N 2 0 285.407 1.409 10 0 CDAERP CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001366148492 956603243 /nfs/dbraw/zinc/60/32/43/956603243.db2.gz URQYCGDKMMLPCN-XQQFMLRXSA-N 2 0 273.396 1.313 10 0 CDAERP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@H+]1CC[C@@H](C)F ZINC001423181049 956648605 /nfs/dbraw/zinc/64/86/05/956648605.db2.gz MHJCDVMJWHHASI-CHWSQXEVSA-N 2 0 273.396 1.265 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001366224660 956648523 /nfs/dbraw/zinc/64/85/23/956648523.db2.gz HMNKBVQKTMZNBS-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](C)C[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001423233758 956679312 /nfs/dbraw/zinc/67/93/12/956679312.db2.gz AYPJNQKXUFKOOK-AWEZNQCLSA-N 2 0 293.455 1.899 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001423293415 956711071 /nfs/dbraw/zinc/71/10/71/956711071.db2.gz OEUPNPHFZCIPDM-GFCCVEGCSA-N 2 0 283.391 1.069 10 0 CDAERP CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001330988726 956742550 /nfs/dbraw/zinc/74/25/50/956742550.db2.gz PIFNNHBNVXXWQQ-KBPBESRZSA-N 2 0 269.433 1.755 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@@H]1[NH+](CCF)CC2 ZINC001423367059 956742932 /nfs/dbraw/zinc/74/29/32/956742932.db2.gz LFMFOJGLLLNMEI-ZFWWWQNUSA-N 2 0 285.407 1.411 10 0 CDAERP C[C@H]1CC[C@H](C[N@H+](C)CCCNC(=O)C[NH+]2CCCC2)O1 ZINC001316865639 956773605 /nfs/dbraw/zinc/77/36/05/956773605.db2.gz ODRSGEBRRBBIGN-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001329203399 956957169 /nfs/dbraw/zinc/95/71/69/956957169.db2.gz SNVBIBHAESOIEQ-UONOGXRCSA-N 2 0 269.433 1.754 10 0 CDAERP CCCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001331439662 957060547 /nfs/dbraw/zinc/06/05/47/957060547.db2.gz OFMWRJFWYITVHW-DZGCQCFKSA-N 2 0 281.444 1.565 10 0 CDAERP COCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001424052758 957102026 /nfs/dbraw/zinc/10/20/26/957102026.db2.gz RTCWEZHTSXBWPY-GJZGRUSLSA-N 2 0 297.443 1.040 10 0 CDAERP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC[N@H+]1CCC[C@H](C)O ZINC001366680564 957110769 /nfs/dbraw/zinc/11/07/69/957110769.db2.gz YXFOHKPFXPENNC-LSDHHAIUSA-N 2 0 299.459 1.068 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NCCCC[NH+]1CCOCC1 ZINC001331565799 957142195 /nfs/dbraw/zinc/14/21/95/957142195.db2.gz OMGOEYRXCJGRIC-CQSZACIVSA-N 2 0 297.443 1.088 10 0 CDAERP CCC[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CCC1 ZINC001424179442 957147555 /nfs/dbraw/zinc/14/75/55/957147555.db2.gz PMXZSCQYDVNDQZ-CQSZACIVSA-N 2 0 279.428 1.367 10 0 CDAERP CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001316994432 957192759 /nfs/dbraw/zinc/19/27/59/957192759.db2.gz IHTTYVBAYJQVJM-UONOGXRCSA-N 2 0 267.417 1.317 10 0 CDAERP CC[NH+]1CCC2(CCN(C(=O)CC[NH+](C)C)CC2)CC1 ZINC001424628037 957287377 /nfs/dbraw/zinc/28/73/77/957287377.db2.gz OGPJLKVHCSLFDX-UHFFFAOYSA-N 2 0 281.444 1.663 10 0 CDAERP CC[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CCCOC)[NH+](C)C ZINC001317177062 957324114 /nfs/dbraw/zinc/32/41/14/957324114.db2.gz GKRYLEJPVUSNTP-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC(C)C ZINC001367001477 957327569 /nfs/dbraw/zinc/32/75/69/957327569.db2.gz WSSHQSKLGNBEDB-SOUVJXGZSA-N 2 0 299.434 1.607 10 0 CDAERP CC(C)[NH2+][C@@H](C)[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001424792774 957360836 /nfs/dbraw/zinc/36/08/36/957360836.db2.gz PGULJBUWUYGHAP-UONOGXRCSA-N 2 0 281.444 1.754 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cnc(C)o1 ZINC001424838967 957376770 /nfs/dbraw/zinc/37/67/70/957376770.db2.gz PRWLEMRERZLVHK-NWDGAFQWSA-N 2 0 296.415 1.308 10 0 CDAERP CC(C)=CC[NH+]1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001494584967 972262522 /nfs/dbraw/zinc/26/25/22/972262522.db2.gz KQSXPOOGIMJZNQ-UHFFFAOYSA-N 2 0 279.428 1.342 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CC=C(C)C)C[C@@H]1C ZINC001332045102 957412877 /nfs/dbraw/zinc/41/28/77/957412877.db2.gz DPKBSXNZHMHEOH-LSDHHAIUSA-N 2 0 281.444 1.873 10 0 CDAERP [NH2+]=C(NCCC[NH+]1CCCC1)NC[C@H]1CCCS1 ZINC001332048369 957414268 /nfs/dbraw/zinc/41/42/68/957414268.db2.gz NKNLKJCPPHVBTK-GFCCVEGCSA-N 2 0 270.446 1.482 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCC2CC2)C1 ZINC001317312340 957418059 /nfs/dbraw/zinc/41/80/59/957418059.db2.gz GTAFVIATICSUIG-HUUCEWRRSA-N 2 0 279.428 1.319 10 0 CDAERP CC[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001332110084 957437482 /nfs/dbraw/zinc/43/74/82/957437482.db2.gz IGBBXLSWHGHFMY-TZMCWYRMSA-N 2 0 253.390 1.071 10 0 CDAERP CCC[NH2+][C@H](C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001317407769 957458519 /nfs/dbraw/zinc/45/85/19/957458519.db2.gz YOIVIIKHGGERTH-CHWSQXEVSA-N 2 0 255.406 1.223 10 0 CDAERP CC[C@@H](C)C[N@H+](C)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001425090664 957467946 /nfs/dbraw/zinc/46/79/46/957467946.db2.gz WODSCEQLFZIGEP-ZIAGYGMSSA-N 2 0 271.449 1.809 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCF)C[C@@H]2C1 ZINC001425386059 957524800 /nfs/dbraw/zinc/52/48/00/957524800.db2.gz XIXZQZHZPPSSQP-HZSPNIEDSA-N 2 0 285.407 1.124 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)C1 ZINC001332457175 957573816 /nfs/dbraw/zinc/57/38/16/957573816.db2.gz YSFYZURCTBSFFY-YNEHKIRRSA-N 2 0 265.401 1.104 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC1CCC1 ZINC001317586863 957583607 /nfs/dbraw/zinc/58/36/07/957583607.db2.gz RBIOAULSEQKSEM-HNNXBMFYSA-N 2 0 281.444 1.707 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)CC[NH2+]Cc1scnc1C ZINC001317651296 957623030 /nfs/dbraw/zinc/62/30/30/957623030.db2.gz YVQPXYCJHYIMSJ-UHFFFAOYSA-N 2 0 298.456 1.341 10 0 CDAERP CC(C)C[NH2+]C[C@@](C)(NC(=O)C[N@H+](C)C(C)C)C1CC1 ZINC001367175728 957827397 /nfs/dbraw/zinc/82/73/97/957827397.db2.gz BILAIXYNSHIDOQ-MRXNPFEDSA-N 2 0 283.460 1.857 10 0 CDAERP COC[C@H](C)[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001317987579 957838420 /nfs/dbraw/zinc/83/84/20/957838420.db2.gz LUVSSPSKEGQQSQ-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP CC1CC[NH+](CC(=O)N(C)C2CC([NH2+]CCCF)C2)CC1 ZINC001333131286 958093675 /nfs/dbraw/zinc/09/36/75/958093675.db2.gz UITJBJGVELZMMT-UHFFFAOYSA-N 2 0 299.434 1.657 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1ccsc1)[NH+](C)C ZINC001367713386 958241610 /nfs/dbraw/zinc/24/16/10/958241610.db2.gz RUYSKLUVHOSAOJ-DGCLKSJQSA-N 2 0 283.441 1.683 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+]CCF)CC1 ZINC001319122899 958384728 /nfs/dbraw/zinc/38/47/28/958384728.db2.gz UFUALEWNLDCFDQ-OAHLLOKOSA-N 2 0 299.434 1.657 10 0 CDAERP CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]CC1CC1 ZINC001367936836 958493907 /nfs/dbraw/zinc/49/39/07/958493907.db2.gz IXVRDKVJXQKMGS-CABCVRRESA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001367958011 958516939 /nfs/dbraw/zinc/51/69/39/958516939.db2.gz GFQMFZLATXGLRO-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP O=C(NCC1([NH2+]CC2CC2)CC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001368024725 958587586 /nfs/dbraw/zinc/58/75/86/958587586.db2.gz DCJPBKYUJCDATK-CABCVRRESA-N 2 0 291.439 1.652 10 0 CDAERP CC/C=C\CC[NH2+]C[C@H](C)N(C)C(=O)Cc1cnc[nH]1 ZINC001319538027 958614994 /nfs/dbraw/zinc/61/49/94/958614994.db2.gz MUSLSHBCAACNCH-SZZPACECSA-N 2 0 278.400 1.745 10 0 CDAERP CC(C)C[NH2+]C[C@]1(C)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001368204004 958696939 /nfs/dbraw/zinc/69/69/39/958696939.db2.gz JWALASNKNRMNOB-INIZCTEOSA-N 2 0 281.444 1.566 10 0 CDAERP C[C@H](CC[NH2+]CC1CCC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001320607055 959271473 /nfs/dbraw/zinc/27/14/73/959271473.db2.gz IJHBGBSQMNDDHJ-HIFRSBDPSA-N 2 0 281.444 1.613 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH+](C)CC2CC2)C1 ZINC001368972787 959341991 /nfs/dbraw/zinc/34/19/91/959341991.db2.gz COPBGUUJEOJBON-GDBMZVCRSA-N 2 0 295.471 1.955 10 0 CDAERP CCN(CC[NH2+]C/C=C\Cl)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001320902302 959449111 /nfs/dbraw/zinc/44/91/11/959449111.db2.gz REBNNAVVJHYERI-WSROAFLRSA-N 2 0 289.851 1.763 10 0 CDAERP CCN(CC[NH2+]C/C=C\Cl)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001320902297 959449300 /nfs/dbraw/zinc/44/93/00/959449300.db2.gz REBNNAVVJHYERI-MEJMFZKBSA-N 2 0 289.851 1.763 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C)C1C[NH+](CC2CC2)C1)[NH+](CC)CC ZINC001369093604 959450336 /nfs/dbraw/zinc/45/03/36/959450336.db2.gz NRXMQFBCPYDZCD-CJNGLKHVSA-N 2 0 295.471 1.953 10 0 CDAERP CCCC[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001321067048 959572772 /nfs/dbraw/zinc/57/27/72/959572772.db2.gz QUYPWJSEOOBFNO-MHKRFPNSSA-N 2 0 281.444 1.779 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC/C=C/C[NH2+]CC2CC2)CC[N@@H+]1C ZINC001321066512 959573854 /nfs/dbraw/zinc/57/38/54/959573854.db2.gz JXKQXPLFSMVUEA-SSBHQGKESA-N 2 0 279.428 1.389 10 0 CDAERP CC(C)C[C@H](C)C[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001321391679 959763615 /nfs/dbraw/zinc/76/36/15/959763615.db2.gz GTLICIZMUMOWOT-DZEZYYDTSA-N 2 0 295.471 1.882 10 0 CDAERP C[C@H](C[NH2+]CC[C@H](C)F)NC(=O)C[N@H+](C)C1CCC1 ZINC001321540949 959841296 /nfs/dbraw/zinc/84/12/96/959841296.db2.gz CCWFZXTXGLSEAJ-NWDGAFQWSA-N 2 0 273.396 1.313 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C)C[NH2+]C/C=C\Cl)[NH+](C)C ZINC001321710577 959917173 /nfs/dbraw/zinc/91/71/73/959917173.db2.gz QIAGOJYNJMFZQW-UQRGBAIESA-N 2 0 261.797 1.173 10 0 CDAERP C[C@@H](C[NH2+]CCc1cccs1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001321949985 960027955 /nfs/dbraw/zinc/02/79/55/960027955.db2.gz OPEJMVJAECGWTO-GXTWGEPZSA-N 2 0 295.452 1.479 10 0 CDAERP C[C@@H](C[NH2+]CCc1ccccc1)NC(=O)C[NH+]1CCCC1 ZINC001322074039 960075921 /nfs/dbraw/zinc/07/59/21/960075921.db2.gz VYLTVKCBBUKYQV-HNNXBMFYSA-N 2 0 289.423 1.419 10 0 CDAERP CC[NH2+]CC[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001495381432 972485668 /nfs/dbraw/zinc/48/56/68/972485668.db2.gz WWNVWZTTZNRPFY-HNNXBMFYSA-N 2 0 283.460 1.957 10 0 CDAERP CC[NH2+]CCCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001322565492 960260987 /nfs/dbraw/zinc/26/09/87/960260987.db2.gz FFKGWHLTYIBIBT-UONOGXRCSA-N 2 0 267.417 1.461 10 0 CDAERP CCCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CCOC)C1 ZINC001418865601 961109303 /nfs/dbraw/zinc/10/93/03/961109303.db2.gz GBSXKFAGCOHGEX-GJZGRUSLSA-N 2 0 297.443 1.040 10 0 CDAERP CC[C@@H](F)C[NH2+][C@@H](CC)CNC(=O)C12CCC[NH+]1CCC2 ZINC001419198026 961495100 /nfs/dbraw/zinc/49/51/00/961495100.db2.gz KIAAYVHSUZTVDU-KGLIPLIRSA-N 2 0 299.434 1.847 10 0 CDAERP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]C/C=C\Cl ZINC001419277812 961577420 /nfs/dbraw/zinc/57/74/20/961577420.db2.gz CZRPWCUDAHGVKE-FJOGCWAESA-N 2 0 273.808 1.319 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)[NH2+]CCC(F)(F)F)[NH+](C)C ZINC001419775627 962097819 /nfs/dbraw/zinc/09/78/19/962097819.db2.gz QDBYQOMWQPJROA-VHSXEESVSA-N 2 0 283.338 1.373 10 0 CDAERP COC[C@@H](C)[N@H+](C)CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001419993627 962342882 /nfs/dbraw/zinc/34/28/82/962342882.db2.gz PMXLKYUHZWIRLL-CQSZACIVSA-N 2 0 299.459 1.286 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001436695679 962351287 /nfs/dbraw/zinc/35/12/87/962351287.db2.gz UUMXHVNTKGDSJM-LSDHHAIUSA-N 2 0 281.444 1.707 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@H](C[NH2+]Cc2ccccc2)C1 ZINC001420004697 962357428 /nfs/dbraw/zinc/35/74/28/962357428.db2.gz ZBWMUXPXWGALIH-MRXNPFEDSA-N 2 0 289.423 1.576 10 0 CDAERP C[N@H+](CCCF)[C@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001420044344 962409018 /nfs/dbraw/zinc/40/90/18/962409018.db2.gz SMOBLZUFBBSOMN-CABCVRRESA-N 2 0 299.434 1.611 10 0 CDAERP CC(C)CCC[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001420049618 962417351 /nfs/dbraw/zinc/41/73/51/962417351.db2.gz JCQDKEKWAXKHDH-HNNXBMFYSA-N 2 0 283.460 1.765 10 0 CDAERP CC(C)CC[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001436831796 962443253 /nfs/dbraw/zinc/44/32/53/962443253.db2.gz XRGZRJSANUHOHA-OAHLLOKOSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)[NH2+][C@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001436834030 962447684 /nfs/dbraw/zinc/44/76/84/962447684.db2.gz POQLVHKAZCHIDR-CVEARBPZSA-N 2 0 295.471 2.000 10 0 CDAERP CC[C@H](C)C[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001437009793 962557559 /nfs/dbraw/zinc/55/75/59/962557559.db2.gz ZQPFDUONNQGRRV-GJZGRUSLSA-N 2 0 283.460 1.812 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001437058283 962582830 /nfs/dbraw/zinc/58/28/30/962582830.db2.gz HGXFUWOTQMOVMN-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]CC[C@H](C)F ZINC001437196453 962723502 /nfs/dbraw/zinc/72/35/02/962723502.db2.gz HRRJMXPXTMRNRA-NWDGAFQWSA-N 2 0 273.396 1.171 10 0 CDAERP C[N@H+](C/C=C/Cl)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001437356722 962825586 /nfs/dbraw/zinc/82/55/86/962825586.db2.gz IEXMEOLXXGEZLK-DYLGSBMWSA-N 2 0 299.846 1.758 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2C)C1 ZINC001420449872 962915799 /nfs/dbraw/zinc/91/57/99/962915799.db2.gz MMPHZNWBKMHUGT-CABCVRRESA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001420536926 963031168 /nfs/dbraw/zinc/03/11/68/963031168.db2.gz GFZFNNHLJOTMPX-CVEARBPZSA-N 2 0 295.471 1.812 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001437677364 963115594 /nfs/dbraw/zinc/11/55/94/963115594.db2.gz HYKJVAWNFZWMHL-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]C(C)C)C1CC1 ZINC001420731919 963210648 /nfs/dbraw/zinc/21/06/48/963210648.db2.gz BFRUJLIGLBWIJC-GJZGRUSLSA-N 2 0 281.444 1.754 10 0 CDAERP C[C@H]([NH2+]CCF)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001437855214 963212327 /nfs/dbraw/zinc/21/23/27/963212327.db2.gz MCINTDQOJZIDJW-JSGCOSHPSA-N 2 0 285.407 1.124 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NCC[C@H]2CC[NH+](CCCF)C2)C1 ZINC001420878241 963322878 /nfs/dbraw/zinc/32/28/78/963322878.db2.gz BNWCAFHURNXNIM-UONOGXRCSA-N 2 0 285.407 1.126 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NCC[C@H]2CC[NH+](CCCF)C2)C1 ZINC001420878234 963324188 /nfs/dbraw/zinc/32/41/88/963324188.db2.gz BNWCAFHURNXNIM-KBPBESRZSA-N 2 0 285.407 1.126 10 0 CDAERP CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001420981515 963402978 /nfs/dbraw/zinc/40/29/78/963402978.db2.gz LNHUGQFPHPBBHT-KGLIPLIRSA-N 2 0 279.428 1.652 10 0 CDAERP CC[C@@H](C)C[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001420991837 963406983 /nfs/dbraw/zinc/40/69/83/963406983.db2.gz CCZJDIXRRFWZRT-ZIAGYGMSSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccns1 ZINC001438371922 963433447 /nfs/dbraw/zinc/43/34/47/963433447.db2.gz RVJOUIDJIOEPCO-RYUDHWBXSA-N 2 0 296.440 1.079 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC1C[NH+](CC2CCCC2)C1 ZINC001421055154 963434603 /nfs/dbraw/zinc/43/46/03/963434603.db2.gz SONMZLKMBLUSFJ-INIZCTEOSA-N 2 0 293.455 1.851 10 0 CDAERP Cc1ncoc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001438637232 963508886 /nfs/dbraw/zinc/50/88/86/963508886.db2.gz NXXQEEKBAJONKX-YPMHNXCESA-N 2 0 294.399 1.014 10 0 CDAERP CC(C)[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001438772851 963545679 /nfs/dbraw/zinc/54/56/79/963545679.db2.gz QPMQBVYTONCKDE-GJZGRUSLSA-N 2 0 281.444 1.850 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001439785805 963860212 /nfs/dbraw/zinc/86/02/12/963860212.db2.gz XMWZHVUOBUNTDX-OLZOCXBDSA-N 2 0 273.396 1.267 10 0 CDAERP Cc1cc(C[N@@H+](C)CCCN(C)C(=O)CC[NH+](C)C)on1 ZINC001440458031 964056041 /nfs/dbraw/zinc/05/60/41/964056041.db2.gz FMROGNCHRVBFIW-UHFFFAOYSA-N 2 0 296.415 1.215 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@@H+]1CC1CCC1 ZINC001569382772 1169835545 /nfs/dbraw/zinc/83/55/45/1169835545.db2.gz DXHRBYUFSFQFIQ-AWEZNQCLSA-N 2 0 265.401 1.073 10 0 CDAERP CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001440988710 964311603 /nfs/dbraw/zinc/31/16/03/964311603.db2.gz LPRWGTVYIBMTDQ-GJZGRUSLSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)CC1CCCC1 ZINC001441005290 964323769 /nfs/dbraw/zinc/32/37/69/964323769.db2.gz ANCUBWVAQVRUCO-DZGCQCFKSA-N 2 0 281.444 1.565 10 0 CDAERP CO[C@@H](C)C[N@H+](C)C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001441288128 964451498 /nfs/dbraw/zinc/45/14/98/964451498.db2.gz BKRVUAWMRJWTOJ-LSDHHAIUSA-N 2 0 299.459 1.143 10 0 CDAERP CC(C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001441303972 964457375 /nfs/dbraw/zinc/45/73/75/964457375.db2.gz FHQCDJNOMIJXNX-ZQDZILKHSA-N 2 0 279.428 1.031 10 0 CDAERP C[C@@H](CC(=O)N[C@H]1C[C@H](C[NH2+]CC2CC2)C1)n1ccnc1 ZINC001441368511 964479118 /nfs/dbraw/zinc/47/91/18/964479118.db2.gz KGJAHHUGUSWBPO-QEJZJMRPSA-N 2 0 290.411 1.729 10 0 CDAERP CC(C)C[NH2+][C@H]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001441483996 964542027 /nfs/dbraw/zinc/54/20/27/964542027.db2.gz CXIHIAXBTYDLAS-QLFBSQMISA-N 2 0 281.444 1.754 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001441504809 964558864 /nfs/dbraw/zinc/55/88/64/964558864.db2.gz MYKPISRWSBJAHU-RWMBFGLXSA-N 2 0 285.407 1.313 10 0 CDAERP CC(C)CC[N@@H+]1CCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001442798504 965222974 /nfs/dbraw/zinc/22/29/74/965222974.db2.gz HIDZXQNXFOTPFP-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC[C@@H](C)F ZINC001443168173 965377873 /nfs/dbraw/zinc/37/78/73/965377873.db2.gz RFVGNCMPERRBEF-KFWWJZLASA-N 2 0 299.434 1.752 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH+](C)CCF)C2)CC[N@@H+]1C ZINC001443329209 965441797 /nfs/dbraw/zinc/44/17/97/965441797.db2.gz OVQNVBKDSIFOBT-SOUVJXGZSA-N 2 0 299.434 1.467 10 0 CDAERP Cc1nocc1C[NH2+]C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001444252784 965767820 /nfs/dbraw/zinc/76/78/20/965767820.db2.gz HHMOAKDYQQOBRR-CQSZACIVSA-N 2 0 294.399 1.015 10 0 CDAERP CC[NH+](CC)CC[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001348341207 965941868 /nfs/dbraw/zinc/94/18/68/965941868.db2.gz ZZJQGGVUSVPACA-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP CC[C@H](C)C[NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001444928603 966007870 /nfs/dbraw/zinc/00/78/70/966007870.db2.gz DCAHVVWHGCYRNT-GJZGRUSLSA-N 2 0 295.471 1.859 10 0 CDAERP CC[N@H+](C)C[C@@H](C)NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001445819072 966346447 /nfs/dbraw/zinc/34/64/47/966346447.db2.gz NLDWDRPROONXRK-IUODEOHRSA-N 2 0 287.423 1.655 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C1CC1 ZINC001445985566 966406923 /nfs/dbraw/zinc/40/69/23/966406923.db2.gz SPGRHIQQJKDBAB-CABCVRRESA-N 2 0 281.444 1.754 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+][C@@H](C)COC)CC1 ZINC001446187392 966480205 /nfs/dbraw/zinc/48/02/05/966480205.db2.gz YXEHDHCJPNTNIU-UONOGXRCSA-N 2 0 297.443 1.134 10 0 CDAERP [NH3+][C@@H]1CCc2ccccc2N(C[C@@H]2CCC[NH2+]C2)C1 ZINC001350398187 966655109 /nfs/dbraw/zinc/65/51/09/966655109.db2.gz LMRVAXCTIBHFEB-UKRRQHHQSA-N 2 0 259.397 1.766 10 0 CDAERP CC(C)[N@H+](C)CCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001447347329 966763922 /nfs/dbraw/zinc/76/39/22/966763922.db2.gz RVCSERXDHGITEZ-OAHLLOKOSA-N 2 0 281.444 1.517 10 0 CDAERP CC(C)CC[NH2+][C@H](C)[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001447932216 966934054 /nfs/dbraw/zinc/93/40/54/966934054.db2.gz LYWYPQZJJZVVPK-KGLIPLIRSA-N 2 0 271.449 1.856 10 0 CDAERP C[C@@H](F)CC[NH2+][C@@H](C)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001448707960 967217530 /nfs/dbraw/zinc/21/75/30/967217530.db2.gz NRCWRUFBALCRQR-KGLIPLIRSA-N 2 0 299.434 1.799 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](C)CN2CCOCC2)C1 ZINC001459609207 969439284 /nfs/dbraw/zinc/43/92/84/969439284.db2.gz NCILALZLMBKDSY-SJORKVTESA-N 2 0 297.487 1.618 10 0 CDAERP CO[C@@H]1CC[C@H]([NH+]2CCC(O)(C[NH+]3CCCCC3)CC2)C1 ZINC001460935989 969567797 /nfs/dbraw/zinc/56/77/97/969567797.db2.gz ATPZUZNPGXDKFW-JKSUJKDBSA-N 2 0 296.455 1.867 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001464801472 969818056 /nfs/dbraw/zinc/81/80/56/969818056.db2.gz CGGSAZHROGYCFW-KKUMJFAQSA-N 2 0 281.444 1.659 10 0 CDAERP c1cn(C[C@H]([NH2+]CC2=NOCC2)c2ccccc2)cn1 ZINC001414037796 969884352 /nfs/dbraw/zinc/88/43/52/969884352.db2.gz ODPFOFRJBQYVOX-HNNXBMFYSA-N 2 0 270.336 1.990 10 0 CDAERP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCOCC12CCCC2 ZINC001414055906 969897132 /nfs/dbraw/zinc/89/71/32/969897132.db2.gz QAHTUJFDMKSESW-UONOGXRCSA-N 2 0 270.417 1.238 10 0 CDAERP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001468456485 970165885 /nfs/dbraw/zinc/16/58/85/970165885.db2.gz YIMHAWFRXKXLCJ-CBBWQLFWSA-N 2 0 281.444 1.658 10 0 CDAERP Cc1ncccc1C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001371532647 972541605 /nfs/dbraw/zinc/54/16/05/972541605.db2.gz VXWXRZCUGCZCPS-HNNXBMFYSA-N 2 0 290.411 1.032 10 0 CDAERP C[N@H+](CCCF)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001371703667 972601666 /nfs/dbraw/zinc/60/16/66/972601666.db2.gz LNDJWARHOPUUEJ-CQSZACIVSA-N 2 0 285.407 1.365 10 0 CDAERP O=C(C[NH+]1CCCC1)NCC1([NH2+]C/C=C/Cl)CCCC1 ZINC001495962808 972721448 /nfs/dbraw/zinc/72/14/48/972721448.db2.gz KVHNQPDYNKPWMX-VMPITWQZSA-N 2 0 299.846 1.853 10 0 CDAERP CCCCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001496354638 972898236 /nfs/dbraw/zinc/89/82/36/972898236.db2.gz BXGBNXPKQAFOHH-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP CCC[N@H+](C)CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001496729908 973069839 /nfs/dbraw/zinc/06/98/39/973069839.db2.gz BCDGOAFLDREUNO-GJZGRUSLSA-N 2 0 281.444 1.804 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001417781689 973382208 /nfs/dbraw/zinc/38/22/08/973382208.db2.gz MJSZCPCWWLTALE-XUXIUFHCSA-N 2 0 285.407 1.313 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]C(C)C ZINC001497600141 973429188 /nfs/dbraw/zinc/42/91/88/973429188.db2.gz POTNSLGVIINVAU-GEXIGZQTSA-N 2 0 267.417 1.531 10 0 CDAERP CC[C@@H](C)C[NH2+]C/C=C\CNC(=O)C1CC[NH+](C)CC1 ZINC001497676033 973461811 /nfs/dbraw/zinc/46/18/11/973461811.db2.gz WANDLXFMWDWUSH-GEXIGZQTSA-N 2 0 281.444 1.636 10 0 CDAERP CC[C@@H](C(=O)NC/C=C/C[NH2+]C[C@@H]1CCCOC1)[NH+](C)C ZINC001497677880 973462046 /nfs/dbraw/zinc/46/20/46/973462046.db2.gz BZOOHDBRVKBAQC-WHJWBVKISA-N 2 0 297.443 1.015 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NCc1ccc2c[nH+]cn2c1 ZINC001417907037 973467478 /nfs/dbraw/zinc/46/74/78/973467478.db2.gz AESSLZXJSWKUAR-GFCCVEGCSA-N 2 0 274.368 1.538 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1CC[N@H+](CCCF)C1 ZINC001373592441 973507149 /nfs/dbraw/zinc/50/71/49/973507149.db2.gz KEYUEYWCGUMHPO-QWHCGFSZSA-N 2 0 291.386 1.216 10 0 CDAERP C[C@H](C[NH2+]C/C=C/Cl)NC(=O)C1CC[NH+](C)CC1 ZINC001497900949 973568603 /nfs/dbraw/zinc/56/86/03/973568603.db2.gz WHBNNPGYTYELHS-ZXCPCRMDSA-N 2 0 273.808 1.175 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C)C[NH2+]CCC1CCOCC1)[NH+](C)C ZINC001497912984 973574642 /nfs/dbraw/zinc/57/46/42/973574642.db2.gz QONKIBGAZQWIAM-HIFRSBDPSA-N 2 0 299.459 1.238 10 0 CDAERP CC/C=C/CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001498021001 973624853 /nfs/dbraw/zinc/62/48/53/973624853.db2.gz BDQGTROBZRCPFQ-BEVHLOIGSA-N 2 0 267.417 1.531 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001498055514 973652303 /nfs/dbraw/zinc/65/23/03/973652303.db2.gz RHJRTGFDSDXWDI-GJZGRUSLSA-N 2 0 281.444 1.921 10 0 CDAERP CC(C)[NH2+]C[C@@](C)(NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001373872862 973675427 /nfs/dbraw/zinc/67/54/27/973675427.db2.gz COVVNIHVZYXBON-NVXWUHKLSA-N 2 0 293.455 1.611 10 0 CDAERP C[C@@H](C[NH2+][C@@H](C)c1ccccc1)NC(=O)CC[NH+](C)C ZINC001498108634 973686760 /nfs/dbraw/zinc/68/67/60/973686760.db2.gz FIGRLCRUNZXIOP-KBPBESRZSA-N 2 0 277.412 1.794 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1cccnc1C)[NH+](C)C ZINC001418237617 973687897 /nfs/dbraw/zinc/68/78/97/973687897.db2.gz PRHXLMUIOQGPOI-IUODEOHRSA-N 2 0 292.427 1.325 10 0 CDAERP Cc1cc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCCC[N@@H+]2C)on1 ZINC001418247590 973694588 /nfs/dbraw/zinc/69/45/88/973694588.db2.gz PKMVQXDVEREKRJ-JSGCOSHPSA-N 2 0 294.399 1.062 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccccc1F ZINC001418270204 973712667 /nfs/dbraw/zinc/71/26/67/973712667.db2.gz TUTBXUXLNWRYMO-LBPRGKRZSA-N 2 0 281.375 1.372 10 0 CDAERP Cc1cc(C[NH2+][C@@H](C)CNC(=O)CCC[NH+](C)C)sn1 ZINC001418268499 973713156 /nfs/dbraw/zinc/71/31/56/973713156.db2.gz VXPGPTSBQDZBQP-LBPRGKRZSA-N 2 0 298.456 1.388 10 0 CDAERP CC[C@H](F)C[NH2+][C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001418270218 973713874 /nfs/dbraw/zinc/71/38/74/973713874.db2.gz UBJZELUHRMZZJM-AAEUAGOBSA-N 2 0 273.396 1.171 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCC(F)(F)F)C1 ZINC001418333708 973754640 /nfs/dbraw/zinc/75/46/40/973754640.db2.gz GKVOZLFZYZHIBM-NSHDSACASA-N 2 0 295.349 1.470 10 0 CDAERP C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccns1 ZINC001418433289 973821102 /nfs/dbraw/zinc/82/11/02/973821102.db2.gz PGDVMCZPKIZBCZ-NEPJUHHUSA-N 2 0 296.440 1.079 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]CC1CC(C)C1 ZINC001374331230 973894425 /nfs/dbraw/zinc/89/44/25/973894425.db2.gz SLFXIQMSWUJRHT-SHARSMKWSA-N 2 0 283.460 1.809 10 0 CDAERP C[C@H](C[N@H+](C)CC1=CCCCC1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001498450115 973921230 /nfs/dbraw/zinc/92/12/30/973921230.db2.gz KCGXKHAIBMFIIK-GDBMZVCRSA-N 2 0 293.455 1.875 10 0 CDAERP CCC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC001374432320 973942255 /nfs/dbraw/zinc/94/22/55/973942255.db2.gz OVUJTVKGRKGBBR-SOUVJXGZSA-N 2 0 283.460 1.857 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001374489784 973978588 /nfs/dbraw/zinc/97/85/88/973978588.db2.gz HAQKZTNXYFZWLV-RBSFLKMASA-N 2 0 283.460 1.763 10 0 CDAERP CN(CCC[NH2+]CCC(C)(C)C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001498592411 973993627 /nfs/dbraw/zinc/99/36/27/973993627.db2.gz RDGRNVDEFZRXKK-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP CN(CCC[NH2+]CC1CCCC1)C(=O)C1CC[NH+](C)CC1 ZINC001498605663 973997498 /nfs/dbraw/zinc/99/74/98/973997498.db2.gz BIWCTJMXMICNNZ-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]Cc1cncs1)C1CC1 ZINC001498819530 974070962 /nfs/dbraw/zinc/07/09/62/974070962.db2.gz UVPTVDQWWIMKAA-ZDUSSCGKSA-N 2 0 296.440 1.079 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001499120691 974190120 /nfs/dbraw/zinc/19/01/20/974190120.db2.gz SQOMNQYREBMWQN-ZYOQUQOHSA-N 2 0 279.428 1.485 10 0 CDAERP CCC[N@@H+]1CC[C@@](C)(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001500228755 974407073 /nfs/dbraw/zinc/40/70/73/974407073.db2.gz YXURVTZPWKYIDY-GDBMZVCRSA-N 2 0 281.444 1.851 10 0 CDAERP CCC[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001500257081 974412537 /nfs/dbraw/zinc/41/25/37/974412537.db2.gz IKFRAZBUAQZJJG-ZFWWWQNUSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)[NH2+]C[C@]1(C)CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001500393974 974430901 /nfs/dbraw/zinc/43/09/01/974430901.db2.gz QZDFORGKOIKNGA-INIZCTEOSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@]1(C[NH2+]C/C=C\Cl)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001500402526 974432272 /nfs/dbraw/zinc/43/22/72/974432272.db2.gz UUHJCUQJUAMGPI-ZDTYVGOBSA-N 2 0 299.846 1.663 10 0 CDAERP CC(C)[N@@H+]1CC[C@@](C)(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001375835236 974492109 /nfs/dbraw/zinc/49/21/09/974492109.db2.gz YUFGCYFXCQOYEB-GDBMZVCRSA-N 2 0 281.444 1.850 10 0 CDAERP CC[C@H](F)CN1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001376073207 974552825 /nfs/dbraw/zinc/55/28/25/974552825.db2.gz SSSNYAVXEMJVKT-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)[N@@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001501422216 974581651 /nfs/dbraw/zinc/58/16/51/974581651.db2.gz HRSOWAYUEWGLHY-UONOGXRCSA-N 2 0 267.417 1.269 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH2+]CCF)C1CC1 ZINC001376281226 974621580 /nfs/dbraw/zinc/62/15/80/974621580.db2.gz REOKTRPSMWTCNP-KBPBESRZSA-N 2 0 285.407 1.315 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[NH+](CCCF)C2 ZINC001376315013 974628505 /nfs/dbraw/zinc/62/85/05/974628505.db2.gz PYPOLNNDIROGNT-KKUMJFAQSA-N 2 0 299.434 1.657 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001376405365 974652825 /nfs/dbraw/zinc/65/28/25/974652825.db2.gz GYYFCCFTNPVKDI-AVGNSLFASA-N 2 0 273.396 1.312 10 0 CDAERP COC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001376460214 974668677 /nfs/dbraw/zinc/66/86/77/974668677.db2.gz FQWMWJYLEIYIFC-BYNSBNAKSA-N 2 0 297.443 1.133 10 0 CDAERP CC1CC[NH+](CC(=O)NCC2([NH2+]CCCF)CCC2)CC1 ZINC001502011647 974673731 /nfs/dbraw/zinc/67/37/31/974673731.db2.gz FQOLOCQTYPXALM-UHFFFAOYSA-N 2 0 299.434 1.706 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCCCO2)C1 ZINC001376488473 974674463 /nfs/dbraw/zinc/67/44/63/974674463.db2.gz FZKRJPPEGLJUSE-QLFBSQMISA-N 2 0 297.443 1.134 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]C/C=C/Cl)C1)[NH+](C)C ZINC001376493196 974674984 /nfs/dbraw/zinc/67/49/84/974674984.db2.gz WEOYEURUQBNRIO-XDQHSUTASA-N 2 0 287.835 1.562 10 0 CDAERP CC(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001376575121 974690567 /nfs/dbraw/zinc/69/05/67/974690567.db2.gz IUWHHNSHMAAPAJ-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001502390726 974731519 /nfs/dbraw/zinc/73/15/19/974731519.db2.gz PIKIYSBAEVPWEC-AWEZNQCLSA-N 2 0 299.434 1.611 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CC2(CCC2)C1 ZINC001376883945 974802615 /nfs/dbraw/zinc/80/26/15/974802615.db2.gz OYFOUWFDBFGPJA-UKRRQHHQSA-N 2 0 293.455 1.613 10 0 CDAERP CCC[NH2+][C@@H](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001503577578 974825042 /nfs/dbraw/zinc/82/50/42/974825042.db2.gz FQIVXKUPIHSKMY-STQMWFEESA-N 2 0 255.406 1.223 10 0 CDAERP C[C@H](CCNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CC1CC1 ZINC001377062077 974870952 /nfs/dbraw/zinc/87/09/52/974870952.db2.gz VPWLPCNFPUHURB-CYBMUJFWSA-N 2 0 281.444 1.755 10 0 CDAERP Cc1cc(C[NH2+][C@H](C)CCNC(=O)C[NH+]2CCCC2)on1 ZINC001377105484 974884641 /nfs/dbraw/zinc/88/46/41/974884641.db2.gz IKPTWXQYFYSGPP-GFCCVEGCSA-N 2 0 294.399 1.063 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001505461076 974886918 /nfs/dbraw/zinc/88/69/18/974886918.db2.gz DOWPCWMYORIACE-HOTGVXAUSA-N 2 0 293.455 1.827 10 0 CDAERP CN(C/C=C/Cl)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001377183295 974917759 /nfs/dbraw/zinc/91/77/59/974917759.db2.gz OZIJZSYZYRVMHM-QPJJXVBHSA-N 2 0 299.846 1.663 10 0 CDAERP CCC[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001505633770 974944957 /nfs/dbraw/zinc/94/49/57/974944957.db2.gz SPVMMWNUNIYGRR-ZIAGYGMSSA-N 2 0 299.459 1.238 10 0 CDAERP CC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)[C@H](C)COC ZINC001377333097 974978992 /nfs/dbraw/zinc/97/89/92/974978992.db2.gz DBUZJTVGCKHKFH-CQSZACIVSA-N 2 0 299.459 1.334 10 0 CDAERP CCCC[N@@H+]1CC[C@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001377467436 975039398 /nfs/dbraw/zinc/03/93/98/975039398.db2.gz JUSASVRIAPQSEK-HUUCEWRRSA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC2CCC2)C1 ZINC001377833956 975151002 /nfs/dbraw/zinc/15/10/02/975151002.db2.gz QCXIFEQZLLTRQW-OAHLLOKOSA-N 2 0 281.444 1.707 10 0 CDAERP Cc1cc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)on1 ZINC001377913145 975172727 /nfs/dbraw/zinc/17/27/27/975172727.db2.gz OURFTURADZIOQL-QWHCGFSZSA-N 2 0 296.415 1.306 10 0 CDAERP CC(C)[C@H](C(=O)NCC1C[NH+](CCC2CC2)C1)[NH+](C)C ZINC001378008295 975204398 /nfs/dbraw/zinc/20/43/98/975204398.db2.gz FASCZMHZEABLFW-OAHLLOKOSA-N 2 0 281.444 1.421 10 0 CDAERP CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001506812664 975226628 /nfs/dbraw/zinc/22/66/28/975226628.db2.gz FTXLDWACRBHBKL-QKDCVEJESA-N 2 0 295.471 1.668 10 0 CDAERP CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001507013516 975296393 /nfs/dbraw/zinc/29/63/93/975296393.db2.gz PMDLAQZDMWTYFN-ZNMIVQPWSA-N 2 0 281.444 1.563 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC1CC(C)(C)C1 ZINC001507059400 975317464 /nfs/dbraw/zinc/31/74/64/975317464.db2.gz DGHGVACOQSHSEH-ZFWWWQNUSA-N 2 0 295.471 1.953 10 0 CDAERP Cc1cc(C[NH2+][C@@H](C)CN(C)C(=O)CC[NH+](C)C)sn1 ZINC001507119792 975345244 /nfs/dbraw/zinc/34/52/44/975345244.db2.gz VJCCXBVKXCAKAD-LBPRGKRZSA-N 2 0 298.456 1.340 10 0 CDAERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1C[NH+](CCCF)C1 ZINC001378535778 975381834 /nfs/dbraw/zinc/38/18/34/975381834.db2.gz TVRLXBHHGVSOQS-CYBMUJFWSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCCC1CC[NH+](CCF)CC1 ZINC001401080588 975450701 /nfs/dbraw/zinc/45/07/01/975450701.db2.gz SRGAFNYDYPSVAC-UHFFFAOYSA-N 2 0 287.423 1.514 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001507404816 975455532 /nfs/dbraw/zinc/45/55/32/975455532.db2.gz WVHYHJKXSSQBHY-LSDHHAIUSA-N 2 0 293.455 1.899 10 0 CDAERP CC(C)[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001507441723 975472465 /nfs/dbraw/zinc/47/24/65/975472465.db2.gz BZOBRPKKCJOGCK-GFCCVEGCSA-N 2 0 255.406 1.173 10 0 CDAERP CC(C)C[NH+]1CC(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001404944791 975550300 /nfs/dbraw/zinc/55/03/00/975550300.db2.gz HFPJFCVMAVIKEI-INIZCTEOSA-N 2 0 295.471 1.811 10 0 CDAERP CC(C)C[C@H](C[NH2+]C(C)C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001401280721 975561521 /nfs/dbraw/zinc/56/15/21/975561521.db2.gz LBIPSJYSZRXKSH-CVEARBPZSA-N 2 0 295.471 1.857 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+]CCCF)C(C)(C)C ZINC001508035512 975581063 /nfs/dbraw/zinc/58/10/63/975581063.db2.gz LLIVQMQDPMVEBB-CYBMUJFWSA-N 2 0 289.439 1.807 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@H]1C ZINC001388821072 975607830 /nfs/dbraw/zinc/60/78/30/975607830.db2.gz HWLRWGHLTHSRIB-RDBSUJKOSA-N 2 0 287.423 1.655 10 0 CDAERP CC(C)C[NH2+][C@@H](CNC(=O)C[N@H+](C)C(C)C)C(C)C ZINC001401357192 975609939 /nfs/dbraw/zinc/60/99/39/975609939.db2.gz SCPWWWDYQRDMBG-AWEZNQCLSA-N 2 0 271.449 1.713 10 0 CDAERP CC[NH2+]C1CC(N(C)C(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001508138356 975619615 /nfs/dbraw/zinc/61/96/15/975619615.db2.gz RYYBRJYCBVDRKP-XSRFYTQQSA-N 2 0 264.373 1.187 10 0 CDAERP CC(C)[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001405479369 975754383 /nfs/dbraw/zinc/75/43/83/975754383.db2.gz JDSKPQBWPFFQSR-OWCLPIDISA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001389506345 975876567 /nfs/dbraw/zinc/87/65/67/975876567.db2.gz KILZSDQQLQCSSF-HUUCEWRRSA-N 2 0 299.434 1.801 10 0 CDAERP CCc1noc(C)c1C[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C ZINC001379550994 975920472 /nfs/dbraw/zinc/92/04/72/975920472.db2.gz MPGVLGQWVTYZJI-NSHDSACASA-N 2 0 296.415 1.091 10 0 CDAERP CC(C)[NH+](C)CC(=O)N[C@H](C)C[N@@H+](C)CC[C@@H](C)F ZINC001401827327 975940228 /nfs/dbraw/zinc/94/02/28/975940228.db2.gz PFFHYUPWNPWQNA-CHWSQXEVSA-N 2 0 275.412 1.511 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001398335535 975945911 /nfs/dbraw/zinc/94/59/11/975945911.db2.gz OFBQKGUUEXXIER-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]([NH2+]CC1CC(C)C1)C1CC1 ZINC001389680781 975951668 /nfs/dbraw/zinc/95/16/68/975951668.db2.gz CGLPTXHYEARPGH-ZBCRRDGASA-N 2 0 295.471 1.857 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]([NH2+]CCC(C)(C)C)C1CC1 ZINC001398432190 975980585 /nfs/dbraw/zinc/98/05/85/975980585.db2.gz GBBIMMOEKZJXRJ-AWEZNQCLSA-N 2 0 283.460 1.859 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001389823624 976005180 /nfs/dbraw/zinc/00/51/80/976005180.db2.gz CIBIYZIDGGCBFI-OLZOCXBDSA-N 2 0 273.396 1.265 10 0 CDAERP COC[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001401944852 976031605 /nfs/dbraw/zinc/03/16/05/976031605.db2.gz NMMGDQATPVXQOL-KBPBESRZSA-N 2 0 297.443 1.133 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001398668045 976100785 /nfs/dbraw/zinc/10/07/85/976100785.db2.gz DOZIQNJREWHCGX-XQLPTFJDSA-N 2 0 283.460 1.856 10 0 CDAERP COC[C@@H](C)[N@H+](C)CCN(C(=O)[C@H]1CCC[NH+]1C)C(C)C ZINC001379997030 976172292 /nfs/dbraw/zinc/17/22/92/976172292.db2.gz CUMCHPLNSBXRGD-HUUCEWRRSA-N 2 0 299.459 1.284 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(Cl)cc1 ZINC001399028162 976296175 /nfs/dbraw/zinc/29/61/75/976296175.db2.gz MDMNALSKWDMSFC-LBPRGKRZSA-N 2 0 297.830 1.886 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001399085962 976321727 /nfs/dbraw/zinc/32/17/27/976321727.db2.gz BSQFLKPOSBDUPJ-ZIAGYGMSSA-N 2 0 287.423 1.561 10 0 CDAERP C[C@H](F)CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1 ZINC001402551236 976354282 /nfs/dbraw/zinc/35/42/82/976354282.db2.gz ZFRUCTICKODKKI-BFHYXJOUSA-N 2 0 299.434 1.703 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001390596089 976381732 /nfs/dbraw/zinc/38/17/32/976381732.db2.gz KATHEHHYSJJJSQ-HUUCEWRRSA-N 2 0 283.460 1.812 10 0 CDAERP CC(C)[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001380392582 976404806 /nfs/dbraw/zinc/40/48/06/976404806.db2.gz DAHLRQKMBGNXPC-WBVHZDCISA-N 2 0 293.455 1.565 10 0 CDAERP CC[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1coc(C)n1)[NH+](C)C ZINC001390711217 976448827 /nfs/dbraw/zinc/44/88/27/976448827.db2.gz ZAQZSRVJFOPYAU-FZMZJTMJSA-N 2 0 296.415 1.308 10 0 CDAERP Cc1nocc1C[NH2+][C@H](C)CCNC(=O)C[NH+]1CCCC1 ZINC001399426194 976476178 /nfs/dbraw/zinc/47/61/78/976476178.db2.gz CVNAZKMFLNSMPH-GFCCVEGCSA-N 2 0 294.399 1.063 10 0 CDAERP CC(C)[NH2+]C1(CNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001406975149 976501536 /nfs/dbraw/zinc/50/15/36/976501536.db2.gz DHBDALLDECZMLZ-UHFFFAOYSA-N 2 0 281.444 1.754 10 0 CDAERP C[C@@H](O)C[N@H+](C)CCNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001390781164 976501819 /nfs/dbraw/zinc/50/18/19/976501819.db2.gz CQPRBDZNLWQSOB-CYBMUJFWSA-N 2 0 299.459 1.068 10 0 CDAERP C[C@@H](O)CCC[N@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001399555922 976562519 /nfs/dbraw/zinc/56/25/19/976562519.db2.gz FWXKXTLCBRIYKK-CQSZACIVSA-N 2 0 299.459 1.070 10 0 CDAERP CC[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001403035168 976673895 /nfs/dbraw/zinc/67/38/95/976673895.db2.gz XSUFXLFCIPUNBN-HUUCEWRRSA-N 2 0 291.439 1.664 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CCC[N@H+]1CCCF ZINC001391074947 976675831 /nfs/dbraw/zinc/67/58/31/976675831.db2.gz LIIGSKWLGDNETB-ZDUSSCGKSA-N 2 0 271.380 1.022 10 0 CDAERP CC(C)[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001403081170 976697810 /nfs/dbraw/zinc/69/78/10/976697810.db2.gz BIVYUEDBFDTKGY-OAHLLOKOSA-N 2 0 295.471 1.811 10 0 CDAERP CC[C@@H](C)C[N@H+](CCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001391172841 976741909 /nfs/dbraw/zinc/74/19/09/976741909.db2.gz BPZHVOMOMJKZCC-CQSZACIVSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCC1 ZINC001391255217 976777761 /nfs/dbraw/zinc/77/77/61/976777761.db2.gz NVGYLNVGRMUFHX-IYBDPMFKSA-N 2 0 293.455 1.802 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCC1 ZINC001407827972 976787351 /nfs/dbraw/zinc/78/73/51/976787351.db2.gz HZKNHGLGTPPWAP-CYBMUJFWSA-N 2 0 285.407 1.459 10 0 CDAERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[N@H+](C)CCCF ZINC001381558600 976911508 /nfs/dbraw/zinc/91/15/08/976911508.db2.gz MCEWJHDBHYYHHK-CYBMUJFWSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]Cc1nccs1 ZINC001408099339 976916227 /nfs/dbraw/zinc/91/62/27/976916227.db2.gz RARBTAVEAZGFSZ-RYUDHWBXSA-N 2 0 296.440 1.031 10 0 CDAERP CC[N@H+](C)CCNC(=O)CCCC[NH+]1CCCC1 ZINC001492890140 976925058 /nfs/dbraw/zinc/92/50/58/976925058.db2.gz RFXALMZUMATCMR-UHFFFAOYSA-N 2 0 255.406 1.320 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCCF)[C@@H](C)C1 ZINC001408177085 976952962 /nfs/dbraw/zinc/95/29/62/976952962.db2.gz MUFKPFBUXGHMLB-KBPBESRZSA-N 2 0 287.423 1.655 10 0 CDAERP CCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@H+](CCCF)C1 ZINC001391658075 977020958 /nfs/dbraw/zinc/02/09/58/977020958.db2.gz NZMIPCPANBZPBM-CQSZACIVSA-N 2 0 287.423 1.609 10 0 CDAERP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cc(C)ns1 ZINC001391719720 977065318 /nfs/dbraw/zinc/06/53/18/977065318.db2.gz JAUDRRXOSGKBTO-LBPRGKRZSA-N 2 0 298.456 1.388 10 0 CDAERP CC[C@@H](F)C[NH2+][C@@H](C)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001403578431 977079850 /nfs/dbraw/zinc/07/98/50/977079850.db2.gz USXITCMXMHWEIO-UONOGXRCSA-N 2 0 299.434 1.799 10 0 CDAERP C[C@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccsc1 ZINC001403589119 977086970 /nfs/dbraw/zinc/08/69/70/977086970.db2.gz RRHSCPKWHQEAFE-TZMCWYRMSA-N 2 0 295.452 1.779 10 0 CDAERP C[C@@H](F)CC[NH2+][C@@H](C)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001403602561 977096390 /nfs/dbraw/zinc/09/63/90/977096390.db2.gz WZOCKSSOGYHTJX-OLZOCXBDSA-N 2 0 287.423 1.513 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC2CC2)C1)[NH+](C)C ZINC001381963034 977101697 /nfs/dbraw/zinc/10/16/97/977101697.db2.gz PSQFZUJXQACTOM-KKUMJFAQSA-N 2 0 281.444 1.467 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccsc2)C1 ZINC001400629477 977117407 /nfs/dbraw/zinc/11/74/07/977117407.db2.gz NVTAGPTUAJTYPE-AWEZNQCLSA-N 2 0 295.452 1.780 10 0 CDAERP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]CC1CCCC1 ZINC001391957218 977161183 /nfs/dbraw/zinc/16/11/83/977161183.db2.gz GRJZIKYJJHGLJE-AWEZNQCLSA-N 2 0 281.444 1.614 10 0 CDAERP CC(C)CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001382281059 977235141 /nfs/dbraw/zinc/23/51/41/977235141.db2.gz DRXKJWYEXCFZKV-GOEBONIOSA-N 2 0 295.471 1.953 10 0 CDAERP Cc1ncc(C[NH2+][C@@H](CNC(=O)CC[NH+](C)C)C(C)C)o1 ZINC001392233873 977275819 /nfs/dbraw/zinc/27/58/19/977275819.db2.gz NFKYCPHROHMITK-AWEZNQCLSA-N 2 0 296.415 1.165 10 0 CDAERP C[C@H]([NH2+]CCN(C)C(=O)CC[NH+](C)C)c1cccc(F)c1 ZINC001404335854 977416997 /nfs/dbraw/zinc/41/69/97/977416997.db2.gz XJVQPSJKMFGYEE-ZDUSSCGKSA-N 2 0 295.402 1.886 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCCF)C1 ZINC001392351472 977418861 /nfs/dbraw/zinc/41/88/61/977418861.db2.gz SYNWYDMJCNBJMX-UONOGXRCSA-N 2 0 285.407 1.221 10 0 CDAERP COc1cccc(C[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C)c1 ZINC001392594551 977498078 /nfs/dbraw/zinc/49/80/78/977498078.db2.gz PMWKIRNCXPOLBH-ZDUSSCGKSA-N 2 0 293.411 1.241 10 0 CDAERP CC1CC(C[NH2+]C2(CNC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001392946874 977660545 /nfs/dbraw/zinc/66/05/45/977660545.db2.gz GFYSQXKNLDYBLV-SLTAFYQDSA-N 2 0 293.455 1.613 10 0 CDAERP CC(C)CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001393402970 977780817 /nfs/dbraw/zinc/78/08/17/977780817.db2.gz ZBKQPAAJGGMWOC-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CCc1cccs1 ZINC001394524414 978192400 /nfs/dbraw/zinc/19/24/00/978192400.db2.gz WCLFOZVDQXAGRS-CYBMUJFWSA-N 2 0 297.468 1.679 10 0 CDAERP CC/C=C\CC[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001492853267 978545607 /nfs/dbraw/zinc/54/56/07/978545607.db2.gz CQDMXNKOZBFZFD-GEXIGZQTSA-N 2 0 267.417 1.342 10 0 CDAERP CC/C=C\CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001676318918 1174206624 /nfs/dbraw/zinc/20/66/24/1174206624.db2.gz VPYYDQZDYDYJMM-YOVCOIKASA-N 2 0 281.444 1.873 10 0 CDAERP CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001676351810 1174213126 /nfs/dbraw/zinc/21/31/26/1174213126.db2.gz WWOFJBBTVWPFIH-GXTWGEPZSA-N 2 0 267.417 1.175 10 0 CDAERP C[NH+](C)CCCCC(=O)N[C@@]12CCC[C@H]1[N@H+](CCF)CC2 ZINC001571504372 1170457215 /nfs/dbraw/zinc/45/72/15/1170457215.db2.gz CWJLCLHCMOWZGZ-GDBMZVCRSA-N 2 0 299.434 1.801 10 0 CDAERP Cc1nccn1CCCC[N@@H+]1CCn2nccc2C1 ZINC001655169952 1171677336 /nfs/dbraw/zinc/67/73/36/1171677336.db2.gz FOTCEJPACLAAJY-UHFFFAOYSA-N 2 0 259.357 1.684 10 0 CDAERP CC(C)C[C@@H](C[NH3+])NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000566201676 370644642 /nfs/dbraw/zinc/64/46/42/370644642.db2.gz SXYHJLPYPFIEFX-UONOGXRCSA-N 2 0 269.433 1.741 10 0 CDAERP C[NH+](C)CC1CC[NH+]([C@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000425404097 282082129 /nfs/dbraw/zinc/08/21/29/282082129.db2.gz JIANYLXIUDXXTR-AWEZNQCLSA-N 2 0 281.444 1.659 10 0 CDAERP COC(=O)c1ccc(CN2C[C@H](C[NH3+])C[C@H]2C)nc1 ZINC000216147275 342533802 /nfs/dbraw/zinc/53/38/02/342533802.db2.gz QQVOROQJQRHKSW-MNOVXSKESA-N 2 0 263.341 1.037 10 0 CDAERP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650708877 398154062 /nfs/dbraw/zinc/15/40/62/398154062.db2.gz SADVSEHNMLJMLY-FZKCQIBNSA-N 3 0 283.460 1.578 10 0 CDAERP Cn1nnc2cc(C[NH2+]CCC3(C[NH3+])CC3)ccc21 ZINC000650712800 398155897 /nfs/dbraw/zinc/15/58/97/398155897.db2.gz VEUDJRCZDVXSRL-UHFFFAOYSA-N 2 0 259.357 1.187 10 0 CDAERP [NH3+]CC1(CC[NH2+]Cc2nc3c(s2)CCC3)CC1 ZINC000650713423 398156316 /nfs/dbraw/zinc/15/63/16/398156316.db2.gz SDIXLNLFBVKSDY-UHFFFAOYSA-N 2 0 251.399 1.850 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H](NCc2ccc(C[NH3+])cc2F)C1 ZINC000650717242 398158564 /nfs/dbraw/zinc/15/85/64/398158564.db2.gz VOCQSEMRWPABTB-GXFFZTMASA-N 2 0 251.349 1.372 10 0 CDAERP CO[C@@H](C[NH3+])CC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000232113312 342001379 /nfs/dbraw/zinc/00/13/79/342001379.db2.gz BTKXYNNKQRYHTH-OAHLLOKOSA-N 2 0 291.395 1.585 10 0 CDAERP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1ccnn1C ZINC000650756982 398179970 /nfs/dbraw/zinc/17/99/70/398179970.db2.gz LSQUGLGKZKRTEM-GFCCVEGCSA-N 2 0 258.369 1.990 10 0 CDAERP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000650757847 398181091 /nfs/dbraw/zinc/18/10/91/398181091.db2.gz CAFXFESRPHZYIG-GUYCJALGSA-N 2 0 273.424 1.978 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000300518482 342551246 /nfs/dbraw/zinc/55/12/46/342551246.db2.gz GIJHWAFBCLRCAS-UONOGXRCSA-N 2 0 281.444 1.611 10 0 CDAERP COC(=O)c1coc([C@@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC000601325739 342553349 /nfs/dbraw/zinc/55/33/49/342553349.db2.gz NBRICMHLOGOLLY-UTUOFQBUSA-N 2 0 293.367 1.454 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCCc2c1ccc(=O)n2C ZINC000650764778 398185492 /nfs/dbraw/zinc/18/54/92/398185492.db2.gz NDMGZBFOXXDBIO-GXTWGEPZSA-N 2 0 277.412 1.870 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000624948843 342023508 /nfs/dbraw/zinc/02/35/08/342023508.db2.gz PESNVTFWLJEEMY-IHRRRGAJSA-N 2 0 280.416 1.007 10 0 CDAERP C[NH2+][C@H](C)C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000309781675 342036834 /nfs/dbraw/zinc/03/68/34/342036834.db2.gz LDZSCCBPWCXEFW-CQSZACIVSA-N 2 0 289.423 1.717 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCOC2CCOCC2)[C@H](C)C1 ZINC000625257174 342057859 /nfs/dbraw/zinc/05/78/59/342057859.db2.gz XJUBBLFWIQBTSP-ZBFHGGJFSA-N 2 0 284.444 1.844 10 0 CDAERP COc1cncc(CN2CCC(c3c[nH]cn3)CC2)n1 ZINC000625262202 342060005 /nfs/dbraw/zinc/06/00/05/342060005.db2.gz TWIUOAQMZFQYHA-UHFFFAOYSA-N 2 0 273.340 1.588 10 0 CDAERP [NH3+]Cc1ccc(C(=O)NCCC[NH2+]Cc2cccnc2)cc1 ZINC000237908481 342076646 /nfs/dbraw/zinc/07/66/46/342076646.db2.gz OFUGYFWOELNQGN-UHFFFAOYSA-N 2 0 298.390 1.450 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000617012620 342604463 /nfs/dbraw/zinc/60/44/63/342604463.db2.gz FAONTDPNFBJVTH-MGPQQGTHSA-N 2 0 281.444 1.848 10 0 CDAERP CS[C@@H]1CC[C@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000591835213 342648197 /nfs/dbraw/zinc/64/81/97/342648197.db2.gz VWLGDAQDJMKXBV-CHWSQXEVSA-N 2 0 271.474 1.496 10 0 CDAERP CC(C)(C)OC(=O)NCC[C@@H]1CCCN1CC[NH3+] ZINC000616608569 361833654 /nfs/dbraw/zinc/83/36/54/361833654.db2.gz YDNAVZKDQXEUIL-NSHDSACASA-N 2 0 257.378 1.324 10 0 CDAERP COC(C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1)OC ZINC000136770991 361864182 /nfs/dbraw/zinc/86/41/82/361864182.db2.gz BRVZWAHPKLLFMS-ZDUSSCGKSA-N 2 0 279.384 1.743 10 0 CDAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC1CC[NH2+]CC1 ZINC000094459899 300312560 /nfs/dbraw/zinc/31/25/60/300312560.db2.gz YLGCVAIJUDHYOF-GXTWGEPZSA-N 2 0 265.401 1.071 10 0 CDAERP CN(Cc1ccccc1)C[C@@H](O)C[N@H+](CCCO)C1CC1 ZINC000605427764 342185499 /nfs/dbraw/zinc/18/54/99/342185499.db2.gz KYNBOFLDQZURSP-QGZVFWFLSA-N 2 0 292.423 1.326 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NCc1c(C)nc2ccccn21 ZINC000629391215 361917626 /nfs/dbraw/zinc/91/76/26/361917626.db2.gz ZMJFIDYKDVPRCO-QWHCGFSZSA-N 2 0 258.369 1.873 10 0 CDAERP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]CCOCCC[NH3+] ZINC000629399887 361937074 /nfs/dbraw/zinc/93/70/74/361937074.db2.gz YGNIJVMWXMENRA-AWEZNQCLSA-N 2 0 293.411 1.383 10 0 CDAERP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000333619151 539053278 /nfs/dbraw/zinc/05/32/78/539053278.db2.gz RKGNMFKXQKDWDU-LUGNKYPNSA-N 2 0 294.443 1.441 10 0 CDAERP CC(C)NC(=O)CC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000151310825 539073602 /nfs/dbraw/zinc/07/36/02/539073602.db2.gz NMVHWZXEQDPRIK-UHFFFAOYSA-N 2 0 276.384 1.118 10 0 CDAERP CC(C)NC(=O)CC[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000534288490 282177735 /nfs/dbraw/zinc/17/77/35/282177735.db2.gz RYXSVWZELDCSGD-LBPRGKRZSA-N 2 0 264.373 1.124 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594944792 342980435 /nfs/dbraw/zinc/98/04/35/342980435.db2.gz CFVFZRSBNCIHKW-KIJLLGNVSA-N 2 0 254.374 1.114 10 0 CDAERP COCCC[NH+]1CCC([NH2+][C@H](C)[C@@H]2C[C@@H]2C(=O)OC)CC1 ZINC000594924593 342988928 /nfs/dbraw/zinc/98/89/28/342988928.db2.gz JOSOJJPFTFRINY-SNPRPXQTSA-N 2 0 298.427 1.275 10 0 CDAERP Nc1nc(NCc2cn3ccccc3n2)c2c([nH+]1)CCCC2 ZINC000645100455 362112055 /nfs/dbraw/zinc/11/20/55/362112055.db2.gz LESLMBORMAUBSD-UHFFFAOYSA-N 2 0 294.362 1.450 10 0 CDAERP CCOC(=O)CN(Cc1cccc2c1CC[NH2+]C2)C1CC1 ZINC000595894178 343182829 /nfs/dbraw/zinc/18/28/29/343182829.db2.gz VDYSFYIDCPUHDN-UHFFFAOYSA-N 2 0 288.391 1.860 10 0 CDAERP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCOC2CCOCC2)C1 ZINC000629510879 362125321 /nfs/dbraw/zinc/12/53/21/362125321.db2.gz WJJGKOIMXGWHPA-CHWSQXEVSA-N 2 0 256.390 1.241 10 0 CDAERP COC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595900158 343186645 /nfs/dbraw/zinc/18/66/45/343186645.db2.gz ABHAJYXPUHLQGB-WCQYABFASA-N 2 0 254.374 1.260 10 0 CDAERP O=C(CC[C@@H]1CCC[NH2+]1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645106764 362119751 /nfs/dbraw/zinc/11/97/51/362119751.db2.gz IFTBLDLJFSAIIX-ILXRZTDVSA-N 2 0 279.428 1.509 10 0 CDAERP CCn1ccnc1[C@@H](C)NCC1([NH3+])CCOCC1 ZINC000629519758 362138836 /nfs/dbraw/zinc/13/88/36/362138836.db2.gz HJGHYORIWUQWLX-LLVKDONJSA-N 2 0 252.362 1.062 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000629529185 362154785 /nfs/dbraw/zinc/15/47/85/362154785.db2.gz URTJQMJPHIIGFC-AWEZNQCLSA-N 2 0 252.333 1.639 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)c1cccc(OC)c1 ZINC000629528844 362155692 /nfs/dbraw/zinc/15/56/92/362155692.db2.gz KXDQAMQZDKKJHW-GFCCVEGCSA-N 2 0 252.358 1.582 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H]1CCCc2ccccc2C1 ZINC000629530565 362158943 /nfs/dbraw/zinc/15/89/43/362158943.db2.gz JXQBVRCHRUWGRU-INIZCTEOSA-N 2 0 262.397 1.760 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)[C@H](C)O1 ZINC000631218530 362202910 /nfs/dbraw/zinc/20/29/10/362202910.db2.gz MXOINTACESCCNM-XUJVJEKNSA-N 2 0 272.352 1.923 10 0 CDAERP CC(C)[NH2+]CCC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000251748880 344056561 /nfs/dbraw/zinc/05/65/61/344056561.db2.gz LFWWZEFDLCIFIK-KGLIPLIRSA-N 2 0 267.417 1.460 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C[C@H]1CCC[NH2+]C1 ZINC000251858005 344059908 /nfs/dbraw/zinc/05/99/08/344059908.db2.gz SEDBOTQXILDDKI-MGPQQGTHSA-N 2 0 265.401 1.071 10 0 CDAERP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000263259929 362403603 /nfs/dbraw/zinc/40/36/03/362403603.db2.gz MBKLQLHMJCIANT-RDBSUJKOSA-N 2 0 281.444 1.741 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000262667369 344696701 /nfs/dbraw/zinc/69/67/01/344696701.db2.gz PYRAVQNJSAEDHR-ILXRZTDVSA-N 2 0 281.444 1.885 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000603593358 344821010 /nfs/dbraw/zinc/82/10/10/344821010.db2.gz CHENFTZBMBRFBG-HUUCEWRRSA-N 2 0 296.459 1.644 10 0 CDAERP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000606370129 344997950 /nfs/dbraw/zinc/99/79/50/344997950.db2.gz FYPBANJDNLQKKS-KBPBESRZSA-N 2 0 265.401 1.166 10 0 CDAERP C[C@]1(C(=O)N2CCC([NH+]3CCCCC3)CC2)CCC[NH2+]1 ZINC000079518464 362660827 /nfs/dbraw/zinc/66/08/27/362660827.db2.gz QRLPWNIXGYBTSG-MRXNPFEDSA-N 2 0 279.428 1.605 10 0 CDAERP C[NH+](C)Cc1ccccc1CNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079520071 362661276 /nfs/dbraw/zinc/66/12/76/362661276.db2.gz GUOFYXWDKRNYMB-MRXNPFEDSA-N 2 0 275.396 1.507 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)[C@]1(C)CCC[NH2+]1)c1cccs1 ZINC000079519657 362661738 /nfs/dbraw/zinc/66/17/38/362661738.db2.gz RIYWBLHJBPHXLX-RISCZKNCSA-N 2 0 281.425 1.609 10 0 CDAERP CC[C@](C)(O)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000364598766 358452679 /nfs/dbraw/zinc/45/26/79/358452679.db2.gz KALRVAVSVPIECB-KRWDZBQOSA-N 2 0 297.487 1.497 10 0 CDAERP CC(C)(C)[NH+]1CCN(CCCC[C@](C)(O)C[NH3+])CC1 ZINC000085301344 179010540 /nfs/dbraw/zinc/01/05/40/179010540.db2.gz UGINVMBZENTMTJ-HNNXBMFYSA-N 2 0 271.449 1.283 10 0 CDAERP C[N@H+](CCC[C@](C)(O)C[NH3+])CCc1ccccn1 ZINC000085304033 179011498 /nfs/dbraw/zinc/01/14/98/179011498.db2.gz KRTQLRWOQJYIRE-AWEZNQCLSA-N 2 0 251.374 1.046 10 0 CDAERP CC(C)[C@@H](CNC(=O)[C@@H]1CCCC[C@@H]1[NH3+])[NH+](C)C ZINC000085370904 179041115 /nfs/dbraw/zinc/04/11/15/179041115.db2.gz GFRWBFMDQAKMRV-FRRDWIJNSA-N 2 0 255.406 1.206 10 0 CDAERP O=C(C[NH2+]C1CC1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000037390331 346358469 /nfs/dbraw/zinc/35/84/69/346358469.db2.gz FPWLDIFGYNTRLB-UHFFFAOYSA-N 2 0 273.380 1.973 10 0 CDAERP COCc1noc([C@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC000584597974 346381295 /nfs/dbraw/zinc/38/12/95/346381295.db2.gz AGMPXKIXCMLVCB-SDDRHHMPSA-N 2 0 280.372 1.208 10 0 CDAERP [NH3+]CCC[NH2+]C[C@@H]1Cc2cc(Br)ccc2O1 ZINC000085539721 179092237 /nfs/dbraw/zinc/09/22/37/179092237.db2.gz FAFSLLOGANZCNM-NSHDSACASA-N 2 0 285.185 1.691 10 0 CDAERP CCc1nc2c(n1CC(C)(C)C[NH+](C)C)CC[NH2+]C2 ZINC000085568328 179095353 /nfs/dbraw/zinc/09/53/53/179095353.db2.gz CBLNYCUGUNJFNG-UHFFFAOYSA-N 2 0 264.417 1.679 10 0 CDAERP CCc1nc2c(n1[C@@H](C[NH+](C)C)C(C)C)CC[NH2+]C2 ZINC000085573150 179098046 /nfs/dbraw/zinc/09/80/46/179098046.db2.gz IRJWEHLHIAJXPM-AWEZNQCLSA-N 2 0 264.417 1.850 10 0 CDAERP C[N@@H+]1CC[C@@H](n2c3c(nc2C(F)(F)F)C[NH2+]CC3)C1 ZINC000085573239 179098211 /nfs/dbraw/zinc/09/82/11/179098211.db2.gz IIWSQDXZDYEFLP-MRVPVSSYSA-N 2 0 274.290 1.424 10 0 CDAERP Cc1nc2c(n1[C@H](C)C[NH+]1CCCCC1)CC[NH2+]C2 ZINC000085574286 179099127 /nfs/dbraw/zinc/09/91/27/179099127.db2.gz WJOYERIUDVGQCD-GFCCVEGCSA-N 2 0 262.401 1.884 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000623446268 346761900 /nfs/dbraw/zinc/76/19/00/346761900.db2.gz XTAHNMNRDIOJGF-NFAWXSAZSA-N 2 0 265.445 1.932 10 0 CDAERP CC[NH+](CC)[C@H](CNC(=O)C1C[NH2+]C1)c1ccsc1 ZINC000263346059 362783094 /nfs/dbraw/zinc/78/30/94/362783094.db2.gz ZARAAYMXZGXRRT-CYBMUJFWSA-N 2 0 281.425 1.467 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CN2CC[NH2+][C@@](C)(C3CC3)C2)C1 ZINC000086146535 179238783 /nfs/dbraw/zinc/23/87/83/179238783.db2.gz ZCYSDHXHTJQOPI-GDBMZVCRSA-N 2 0 265.445 1.791 10 0 CDAERP CC[NH+]1CCC(C[N@@H+]2CC(C)(C)NC[C@@H]2C)CC1 ZINC000086259189 179257749 /nfs/dbraw/zinc/25/77/49/179257749.db2.gz YTXBNABWOSJSQL-ZDUSSCGKSA-N 2 0 253.434 1.791 10 0 CDAERP C[C@@H]1C[NH2+][C@@H](C2CC2)CN1C[C@@H]1CCC[N@H+](C)C1 ZINC000086259271 179257536 /nfs/dbraw/zinc/25/75/36/179257536.db2.gz HYYLTGJJDBBLIK-UMVBOHGHSA-N 2 0 251.418 1.401 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)[C@]2(O)CCOC2)CC1(C)C ZINC000623557342 347630815 /nfs/dbraw/zinc/63/08/15/347630815.db2.gz SSEIPXQHXZYPQN-CJNGLKHVSA-N 2 0 284.444 1.626 10 0 CDAERP COC[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)[C@@H]1CCCO1 ZINC000623510458 347609993 /nfs/dbraw/zinc/60/99/93/347609993.db2.gz YVUHLBDFSCSKQM-IHRRRGAJSA-N 2 0 270.417 1.643 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@H](CO)CC2CCC2)CC1(C)C ZINC000623511295 347611617 /nfs/dbraw/zinc/61/16/17/347611617.db2.gz JFDGIOJGHIFCPV-KBPBESRZSA-N 2 0 254.418 2.000 10 0 CDAERP CCCN(CC[NH+]1CCCC1)C(=O)NC/C=C\C[NH3+] ZINC000641867909 365952526 /nfs/dbraw/zinc/95/25/26/365952526.db2.gz WYNMXUOPSTWMPZ-ARJAWSKDSA-N 2 0 268.405 1.019 10 0 CDAERP CCC[C@@H](C)[C@@H](CO)[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000517943085 260323447 /nfs/dbraw/zinc/32/34/47/260323447.db2.gz LTOPYNNAPWOLEQ-IAGOWNOFSA-N 2 0 299.503 1.789 10 0 CDAERP C[C@H](C[NH3+])N1CC[NH+](CCCc2ccccc2)CC1 ZINC000104062562 185890506 /nfs/dbraw/zinc/89/05/06/185890506.db2.gz YKYLLJKDELIWPZ-OAHLLOKOSA-N 2 0 261.413 1.584 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)OCCO)[C@@H]2CCC[C@H]21 ZINC000352519030 290215887 /nfs/dbraw/zinc/21/58/87/290215887.db2.gz LETWAEHPOHQFEI-MELADBBJSA-N 2 0 270.417 1.236 10 0 CDAERP c1ccc(C[N@H+]2CCC[C@H]2CN2CC[NH2+]CC2)cc1 ZINC000163588869 348743335 /nfs/dbraw/zinc/74/33/35/348743335.db2.gz HVEYOCOXNYLBHC-INIZCTEOSA-N 2 0 259.397 1.556 10 0 CDAERP CC[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H](C)[NH2+]1 ZINC000620899701 350370816 /nfs/dbraw/zinc/37/08/16/350370816.db2.gz PKKCPRFNPYIOJG-GXTWGEPZSA-N 2 0 267.417 1.317 10 0 CDAERP CC[C@@H]1CN(C(=O)c2ccc3nccn3c2)C[C@H](C)[NH2+]1 ZINC000620904287 350374650 /nfs/dbraw/zinc/37/46/50/350374650.db2.gz KHHMKSURDBUHOI-WCQYABFASA-N 2 0 272.352 1.547 10 0 CDAERP C[C@H]([NH2+]CCOCCC[NH3+])c1nc2ccccc2n1C ZINC000629538934 362955050 /nfs/dbraw/zinc/95/50/50/362955050.db2.gz NJQXTYYOUPRVQB-LBPRGKRZSA-N 2 0 276.384 1.589 10 0 CDAERP C[C@H]([NH2+]CCOCCC[NH3+])c1ccc(-n2cccn2)cc1 ZINC000629542469 362966692 /nfs/dbraw/zinc/96/66/92/362966692.db2.gz YRXMONKNBGLNGJ-AWEZNQCLSA-N 2 0 288.395 1.888 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](CC)C[C@H]2C)CC[N@@H+]1C ZINC000631470616 362977212 /nfs/dbraw/zinc/97/72/12/362977212.db2.gz ZVSRMMQTKOEDQA-QXSJWSMHSA-N 2 0 295.471 1.905 10 0 CDAERP COC(=O)c1cc(C[NH2+]CCCC[NH+](C)C)n(C)c1C ZINC000291158097 197936045 /nfs/dbraw/zinc/93/60/45/197936045.db2.gz IDCGNESBWBDWDK-UHFFFAOYSA-N 2 0 281.400 1.552 10 0 CDAERP CO[C@H]1C[C@@H](C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])C1 ZINC000629553891 362982023 /nfs/dbraw/zinc/98/20/23/362982023.db2.gz DEJWDKAJXPHUFB-ARLBYUKCSA-N 2 0 262.397 1.960 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622003893 350927179 /nfs/dbraw/zinc/92/71/79/350927179.db2.gz HEGTVCLQONTYBP-DOTOQJQBSA-N 2 0 297.406 1.889 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCCC12CC2 ZINC000629555273 362989305 /nfs/dbraw/zinc/98/93/05/362989305.db2.gz STRQHNWELUOOKS-XUXIUFHCSA-N 2 0 252.402 1.909 10 0 CDAERP C[C@H](CCNC(=O)CC[C@H]1CCCC[N@@H+]1C)[NH+](C)C ZINC000622143654 351033500 /nfs/dbraw/zinc/03/35/00/351033500.db2.gz DHLSHHVBDLGHSY-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000333446164 362993703 /nfs/dbraw/zinc/99/37/03/362993703.db2.gz WVZQVQJQEZFSPY-QLFBSQMISA-N 2 0 296.459 1.547 10 0 CDAERP O[C@@H](C[NH2+][C@@H]1CCOC2(CCCC2)C1)C[NH+]1CCCC1 ZINC000629572276 363027485 /nfs/dbraw/zinc/02/74/85/363027485.db2.gz YTDIXXMLVFIQKD-CABCVRRESA-N 2 0 282.428 1.525 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1ccc(C(F)(F)F)cn1 ZINC000629572652 363028843 /nfs/dbraw/zinc/02/88/43/363028843.db2.gz ZWKQOXOPPLSMJT-UHFFFAOYSA-N 2 0 291.317 1.768 10 0 CDAERP O[C@H](C[NH2+]C1CCC(OC(F)F)CC1)C[NH+]1CCCC1 ZINC000629580523 363037159 /nfs/dbraw/zinc/03/71/59/363037159.db2.gz UAPPTOKUZGUHGY-OTTFEQOBSA-N 2 0 292.370 1.583 10 0 CDAERP CCO[C@@H](C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1)C1CC1 ZINC000629592131 363079758 /nfs/dbraw/zinc/07/97/58/363079758.db2.gz PMQRDLSPEJXCCE-SJORKVTESA-N 2 0 296.455 1.892 10 0 CDAERP C[C@@H]1COCCN1CC[N@H+](C)CCCC[NH+]1CCCCC1 ZINC001659938169 1172146118 /nfs/dbraw/zinc/14/61/18/1172146118.db2.gz CUOWBXFYGCOMHY-QGZVFWFLSA-N 2 0 297.487 1.905 10 0 CDAERP C[C@]1(CN2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC[NH2+]C1 ZINC000629654169 363254969 /nfs/dbraw/zinc/25/49/69/363254969.db2.gz MXMGZGDMFKVSFE-TUAOUCFPSA-N 2 0 279.350 1.445 10 0 CDAERP C[C@@H]1C[C@H](C[NH2+][C@H]2CCN(C3CCC3)C2=O)CC[NH2+]1 ZINC000629673813 363321509 /nfs/dbraw/zinc/32/15/09/363321509.db2.gz IYNZWIOLSJOLOB-BZPMIXESSA-N 2 0 265.401 1.118 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000186659911 355925798 /nfs/dbraw/zinc/92/57/98/355925798.db2.gz SOPCPRIJGHETIF-KWCYVHTRSA-N 2 0 261.369 1.191 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H]2O)[C@H]2CCC[C@H]21 ZINC000453396572 283137723 /nfs/dbraw/zinc/13/77/23/283137723.db2.gz YLUIIZJTPASSPU-XPABHHOTSA-N 2 0 252.402 1.610 10 0 CDAERP COc1cc(C)c(CN(C)C[C@H]2C[NH2+]CCO2)cc1OC ZINC000126872422 538552425 /nfs/dbraw/zinc/55/24/25/538552425.db2.gz RQLFLSLYEDAECF-CQSZACIVSA-N 2 0 294.395 1.432 10 0 CDAERP COc1ccccc1N1CC[NH+](CCCCC[NH3+])CC1 ZINC000036450823 356738363 /nfs/dbraw/zinc/73/83/63/356738363.db2.gz MRLBWJICDBEYGJ-UHFFFAOYSA-N 2 0 277.412 1.946 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000631138033 356896346 /nfs/dbraw/zinc/89/63/46/356896346.db2.gz ADNGPIRCCXDOKL-HRCADAONSA-N 2 0 293.455 1.804 10 0 CDAERP [NH3+][C@H]1CCC[C@H]1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000085369456 357206629 /nfs/dbraw/zinc/20/66/29/357206629.db2.gz YBHIXYVZEDPHIJ-CABCVRRESA-N 2 0 279.428 1.448 10 0 CDAERP CN1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CCC1=O ZINC000250662800 283245673 /nfs/dbraw/zinc/24/56/73/283245673.db2.gz ZCGSNSMXAIQJDT-LXTVHRRPSA-N 2 0 279.428 1.508 10 0 CDAERP CN1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CCC1=O ZINC000353526124 283245709 /nfs/dbraw/zinc/24/57/09/283245709.db2.gz ICVSKMWZRLGHKI-AAVRWANBSA-N 2 0 265.401 1.070 10 0 CDAERP C[C@](O)(CO)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000642795922 357466306 /nfs/dbraw/zinc/46/63/06/357466306.db2.gz JIFNCTHHZNFLNL-OAHLLOKOSA-N 2 0 270.417 1.116 10 0 CDAERP Nc1nccc([C@@H]2CCC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)n1 ZINC000582053269 357470513 /nfs/dbraw/zinc/47/05/13/357470513.db2.gz UACIJIDSIAVBJM-ZIAGYGMSSA-N 2 0 289.427 1.458 10 0 CDAERP O[C@@H]1CCC[C@@H]1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000089159250 357483179 /nfs/dbraw/zinc/48/31/79/357483179.db2.gz XGRFSEGGYJTCQG-CZUORRHYSA-N 2 0 275.396 1.801 10 0 CDAERP CC[N@H+](C)C[C@@H](O)CN(C)CCc1ccc(F)cc1 ZINC000582070325 357490212 /nfs/dbraw/zinc/49/02/12/357490212.db2.gz GREQWLSALQJNKJ-OAHLLOKOSA-N 2 0 268.376 1.613 10 0 CDAERP CCc1ccc(CN2CCC[C@](O)(C[NH+](C)C)C2)nc1 ZINC000072453442 357837084 /nfs/dbraw/zinc/83/70/84/357837084.db2.gz JNWVAEYJOBMBMJ-INIZCTEOSA-N 2 0 277.412 1.533 10 0 CDAERP CCSCC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595906951 358651793 /nfs/dbraw/zinc/65/17/93/358651793.db2.gz PCYOLUUSHLNINV-CYBMUJFWSA-N 2 0 260.447 1.782 10 0 CDAERP O=C(C[C@H]1CCC[NH2+]C1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062973544 358814309 /nfs/dbraw/zinc/81/43/09/358814309.db2.gz YLXNHCPICPGTPW-CABCVRRESA-N 2 0 279.428 1.463 10 0 CDAERP C[NH2+]CCc1ccccc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000228503796 358908738 /nfs/dbraw/zinc/90/87/38/358908738.db2.gz QSWGTBWANOJKAQ-AWEZNQCLSA-N 2 0 275.396 1.225 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2CC[NH3+])C1 ZINC000070552570 358969226 /nfs/dbraw/zinc/96/92/26/358969226.db2.gz QAWYABGJKYMRRB-AWEZNQCLSA-N 2 0 275.396 1.402 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)CC2([NH3+])CCC2)[C@@H](C)C1 ZINC000236905148 358947663 /nfs/dbraw/zinc/94/76/63/358947663.db2.gz VOWIYFGWYKGMOK-STQMWFEESA-N 2 0 267.417 1.447 10 0 CDAERP CCSCC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119651938 359000906 /nfs/dbraw/zinc/00/09/06/359000906.db2.gz SLSRMFYBQZETLO-XYPWUTKMSA-N 2 0 297.512 1.982 10 0 CDAERP CCCNC(=O)[C@H]1CCC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261884117 359076722 /nfs/dbraw/zinc/07/67/22/359076722.db2.gz RMUYEYWHVBJSDH-ZFWWWQNUSA-N 2 0 267.417 1.224 10 0 CDAERP CC(C)C[C@H]([NH2+][C@@H](C)C1CC1)C(=O)NCC[NH+](C)C ZINC000347217877 359235948 /nfs/dbraw/zinc/23/59/48/359235948.db2.gz BOWRJNONAHEARW-JSGCOSHPSA-N 2 0 269.433 1.467 10 0 CDAERP [NH3+]CC1CCC([NH2+]C[C@H]2COc3ccccc3O2)CC1 ZINC000422765542 359655011 /nfs/dbraw/zinc/65/50/11/359655011.db2.gz QKBIYMIKYYLRIU-RUXDESIVSA-N 2 0 276.380 1.934 10 0 CDAERP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000094648804 291191523 /nfs/dbraw/zinc/19/15/23/291191523.db2.gz DWSRZZXJIBGJGZ-GBJTYRQASA-N 2 0 279.428 1.460 10 0 CDAERP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000422979374 359694689 /nfs/dbraw/zinc/69/46/89/359694689.db2.gz MLJJUIYKCXMUJU-YJNKXOJESA-N 2 0 272.433 1.516 10 0 CDAERP COCCN1CC[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C1 ZINC000297408662 200179805 /nfs/dbraw/zinc/17/98/05/200179805.db2.gz CQZASUKOHIQODJ-AWEZNQCLSA-N 2 0 274.368 1.145 10 0 CDAERP C[C@H]1C[C@@H]([N@H+](C)CCc2cnn(C)c2)CCN1C ZINC000336708715 359751744 /nfs/dbraw/zinc/75/17/44/359751744.db2.gz LMXNHFORCGZHQV-JSGCOSHPSA-N 2 0 250.390 1.377 10 0 CDAERP CC[C@H](CN[C@H](C1CC1)[C@@H]1C[NH2+]CCO1)[NH+]1CCCC1 ZINC000422968340 359727050 /nfs/dbraw/zinc/72/70/50/359727050.db2.gz WJIZUZODSQWAGU-OWCLPIDISA-N 2 0 281.444 1.217 10 0 CDAERP C(C[NH+]1CCOCC1)C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000336798787 359855699 /nfs/dbraw/zinc/85/56/99/359855699.db2.gz GISOBPWZTNIAGL-HNNXBMFYSA-N 2 0 268.401 1.210 10 0 CDAERP [NH3+]C1(C(=O)NCC2([NH3+])CCCCCC2)CCCCC1 ZINC000336521563 363687759 /nfs/dbraw/zinc/68/77/59/363687759.db2.gz OLSZRCBEBUWSHS-UHFFFAOYSA-N 2 0 267.417 1.816 10 0 CDAERP CC(C)(C)[C@@H](O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000336847452 359918046 /nfs/dbraw/zinc/91/80/46/359918046.db2.gz WKSVCHKVKMAUIU-INIZCTEOSA-N 2 0 298.471 1.828 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCC[C@H]3C[C@]32C)CC1 ZINC000337408540 360115652 /nfs/dbraw/zinc/11/56/52/360115652.db2.gz VOXGMIFEXPRAGW-BFHYXJOUSA-N 2 0 252.402 1.611 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]C)CC1 ZINC000335422016 360250777 /nfs/dbraw/zinc/25/07/77/360250777.db2.gz GVNPHZKLGYGORM-ZDUSSCGKSA-N 2 0 253.390 1.071 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C3CC3)C[C@H](C)C2)C1 ZINC000566456525 360291098 /nfs/dbraw/zinc/29/10/98/360291098.db2.gz NCVNTTUZGTYIRY-KGLIPLIRSA-N 2 0 279.428 1.271 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCc1cccnc1N(C)C ZINC000349116824 360728220 /nfs/dbraw/zinc/72/82/20/360728220.db2.gz HSRDKUVJALTXPI-AWEZNQCLSA-N 2 0 290.411 1.638 10 0 CDAERP C[NH+]1CCC(NC(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000431631603 361024291 /nfs/dbraw/zinc/02/42/91/361024291.db2.gz RYJYZESJDLZZLJ-CQSZACIVSA-N 2 0 267.417 1.461 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000417931114 361392359 /nfs/dbraw/zinc/39/23/59/361392359.db2.gz LAAUJXJZRXYQRE-URGYJCLVSA-N 2 0 296.459 1.404 10 0 CDAERP Cc1nocc1C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000351509431 361725183 /nfs/dbraw/zinc/72/51/83/361725183.db2.gz LWRUTHGCZJIYFU-UHFFFAOYSA-N 2 0 267.373 1.526 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000644145056 364001569 /nfs/dbraw/zinc/00/15/69/364001569.db2.gz XDEGIQDFPYAUKC-NEPJUHHUSA-N 2 0 265.401 1.023 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000248870885 364324787 /nfs/dbraw/zinc/32/47/87/364324787.db2.gz OTFDFRDRQAEDEM-ZQDZILKHSA-N 2 0 297.443 1.214 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)[C@@](C)([NH3+])c2ccccc2)CC[N@@H+]1C ZINC000248990808 364427801 /nfs/dbraw/zinc/42/78/01/364427801.db2.gz NGWRIKYDUXDVKF-UNEWFSDZSA-N 2 0 289.423 1.802 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)c2coc(C[NH3+])c2)[C@@H](C)C1 ZINC000249070094 364472317 /nfs/dbraw/zinc/47/23/17/364472317.db2.gz KOFXVYMBUIRBFA-FZMZJTMJSA-N 2 0 279.384 1.541 10 0 CDAERP C[C@@H](NC(=O)N(C)CCC[NH+](C)C)C(C)(C)C[NH+](C)C ZINC000186416565 364579626 /nfs/dbraw/zinc/57/96/26/364579626.db2.gz KTMICTWDMOREDN-CYBMUJFWSA-N 2 0 286.464 1.556 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@@H](O)C[C@@H]1C ZINC000471813299 364994084 /nfs/dbraw/zinc/99/40/84/364994084.db2.gz YLDXKNCCLQUUSH-NHYWBVRUSA-N 2 0 272.352 1.531 10 0 CDAERP Cc1noc(CCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)n1 ZINC000353388351 365176088 /nfs/dbraw/zinc/17/60/88/365176088.db2.gz QIHHCAOYARHLJZ-BFHYXJOUSA-N 2 0 278.400 1.773 10 0 CDAERP c1c(C[NH2+]C2CCCC2)nnn1CC1CC[NH2+]CC1 ZINC000641232968 365243063 /nfs/dbraw/zinc/24/30/63/365243063.db2.gz NAXDEKFINSBHSA-UHFFFAOYSA-N 2 0 263.389 1.310 10 0 CDAERP Cc1nocc1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000353502967 365263316 /nfs/dbraw/zinc/26/33/16/365263316.db2.gz NOJDJWBIWOIEKN-UHFFFAOYSA-N 2 0 266.389 1.052 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CCCN(c3cccnn3)CC2)CC[NH2+]1 ZINC000414694275 241330765 /nfs/dbraw/zinc/33/07/65/241330765.db2.gz NANFNIFYSUOEAC-HUUCEWRRSA-N 2 0 289.427 1.377 10 0 CDAERP CCC[NH+](CCC)CCCNC(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000626968724 367104584 /nfs/dbraw/zinc/10/45/84/367104584.db2.gz MBDTYMAAZLWKBX-LSDHHAIUSA-N 2 0 298.475 1.938 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627042386 367293010 /nfs/dbraw/zinc/29/30/10/367293010.db2.gz ZTCRRMHRHCSQSX-HZSPNIEDSA-N 2 0 284.448 1.547 10 0 CDAERP CCCCCNC(=O)[C@H](C)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000572523778 367307526 /nfs/dbraw/zinc/30/75/26/367307526.db2.gz MYZFLTDCIJMKGA-GOEBONIOSA-N 2 0 281.444 1.757 10 0 CDAERP C[N@H+](CCCCNC(=O)N[C@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000627057465 367316535 /nfs/dbraw/zinc/31/65/35/367316535.db2.gz JEBPQPWYOOVNPS-AWEZNQCLSA-N 2 0 294.443 1.445 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C1=CC[NH+](C)CC1 ZINC000357952135 367327465 /nfs/dbraw/zinc/32/74/65/367327465.db2.gz ZNFOIVJVKKSRNB-DZGCQCFKSA-N 2 0 279.428 1.627 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000627079396 367376081 /nfs/dbraw/zinc/37/60/81/367376081.db2.gz HWMGVFTXLGKAME-LALPHHSUSA-N 2 0 290.411 1.646 10 0 CDAERP C[NH+](C)CCCC(C)(C)NC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627126002 367502702 /nfs/dbraw/zinc/50/27/02/367502702.db2.gz GOJLFUNENGPKAX-CYBMUJFWSA-N 2 0 296.459 1.691 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000627158409 367585970 /nfs/dbraw/zinc/58/59/70/367585970.db2.gz UGTKQFXKWKPGLT-CBBWQLFWSA-N 2 0 294.443 1.158 10 0 CDAERP CC(C)[NH+](CCNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)C(C)C ZINC000416799943 242144771 /nfs/dbraw/zinc/14/47/71/242144771.db2.gz FBMLTHHBDCQHDP-ZIAGYGMSSA-N 2 0 284.448 1.402 10 0 CDAERP CC[NH+](CC)CCCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000416804953 242150651 /nfs/dbraw/zinc/15/06/51/242150651.db2.gz CBLKFAKQZSBPKQ-YIONKMFJSA-N 2 0 296.459 1.643 10 0 CDAERP C[C@@H](NC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)[C@H](C)[NH3+] ZINC000416839608 242179649 /nfs/dbraw/zinc/17/96/49/242179649.db2.gz KDSWWPONCAQJNY-MISXGVKJSA-N 2 0 296.390 1.463 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000627160787 367589412 /nfs/dbraw/zinc/58/94/12/367589412.db2.gz MORKOJOABCOSSB-XQLPTFJDSA-N 2 0 294.443 1.395 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1[NH2+]CCCC1(C)C)C1CCCC1 ZINC000234278234 367609167 /nfs/dbraw/zinc/60/91/67/367609167.db2.gz QWRLDBIJDODIDI-CQSZACIVSA-N 2 0 281.444 1.755 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000417007894 242262818 /nfs/dbraw/zinc/26/28/18/242262818.db2.gz LMJGDJAZXIIKNO-CQSZACIVSA-N 2 0 296.459 1.502 10 0 CDAERP C[NH2+][C@@H](C)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000567123706 370889552 /nfs/dbraw/zinc/88/95/52/370889552.db2.gz QPQYEWTZZOAMPG-QMMMGPOBSA-N 2 0 251.305 1.018 10 0 CDAERP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000414944523 370889619 /nfs/dbraw/zinc/88/96/19/370889619.db2.gz PZCHBTICUFPWPT-CMPLNLGQSA-N 2 0 291.420 1.688 10 0 CDAERP CC[NH+](CC)CC[C@H](CO)NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000567060964 370871482 /nfs/dbraw/zinc/87/14/82/370871482.db2.gz HXXNZHGSBXINOJ-QLFBSQMISA-N 2 0 299.459 1.068 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000414944528 370890225 /nfs/dbraw/zinc/89/02/25/370890225.db2.gz PZCHBTICUFPWPT-PWSUYJOCSA-N 2 0 291.420 1.688 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCC[NH+](C)C1 ZINC000360072506 368101601 /nfs/dbraw/zinc/10/16/01/368101601.db2.gz AHMFXWUBJJUKGK-GJZGRUSLSA-N 2 0 281.444 1.661 10 0 CDAERP CCC[NH2+]CCNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000418479495 243128496 /nfs/dbraw/zinc/12/84/96/243128496.db2.gz ZCJMFVNDPXVKMY-KBPBESRZSA-N 2 0 284.448 1.358 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000418555375 243210108 /nfs/dbraw/zinc/21/01/08/243210108.db2.gz DNDYUMWRXLMLPQ-HIFRSBDPSA-N 2 0 290.411 1.155 10 0 CDAERP C[C@@H](CNC(=O)C1=CC[C@H]([NH3+])C1)[N@H+](C)Cc1ccccc1 ZINC000638113529 368461141 /nfs/dbraw/zinc/46/11/41/368461141.db2.gz PALOIKNOTQVJHV-BBRMVZONSA-N 2 0 287.407 1.671 10 0 CDAERP C[C@@H]([NH2+]CCCC[NH+](C)C)C1CCS(=O)(=O)CC1 ZINC000354210606 296121649 /nfs/dbraw/zinc/12/16/49/296121649.db2.gz LBZQVTLGCQXYKN-GFCCVEGCSA-N 2 0 276.446 1.131 10 0 CDAERP CC[NH2+][C@H](C)CNC(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000418590609 243248883 /nfs/dbraw/zinc/24/88/83/243248883.db2.gz LLHWQQDQLZYJOF-CQSZACIVSA-N 2 0 298.475 1.748 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000418684239 243337217 /nfs/dbraw/zinc/33/72/17/243337217.db2.gz XZCYMIQCOKELQF-SGMGOOAPSA-N 2 0 278.400 1.502 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000418693599 243347232 /nfs/dbraw/zinc/34/72/32/243347232.db2.gz GZWKVUWOOXVEDW-OLZOCXBDSA-N 2 0 296.415 1.479 10 0 CDAERP C[C@@H](NC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)[C@H](C)[NH3+] ZINC000418720402 243372971 /nfs/dbraw/zinc/37/29/71/243372971.db2.gz JRMJVMGGOUOVLI-OUCADQQQSA-N 2 0 282.432 1.095 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000418729272 243383266 /nfs/dbraw/zinc/38/32/66/243383266.db2.gz QWRXRPCLRWVYND-CHWSQXEVSA-N 2 0 284.448 1.486 10 0 CDAERP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CCN(C)c1cc[nH+]cc1 ZINC000541854371 368686134 /nfs/dbraw/zinc/68/61/34/368686134.db2.gz NTVUAILFKRHMEN-UONOGXRCSA-N 2 0 290.411 1.459 10 0 CDAERP C[NH+](C)CCN(C(=O)C1=CC[C@@H]([NH3+])C1)C1CCCC1 ZINC000638272827 369044082 /nfs/dbraw/zinc/04/40/82/369044082.db2.gz VGWYVLRZYLHLMU-CYBMUJFWSA-N 2 0 265.401 1.367 10 0 CDAERP COCCOCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000367638757 369204675 /nfs/dbraw/zinc/20/46/75/369204675.db2.gz QJQVMPJQXWWCOG-RRFJBIMHSA-N 2 0 270.417 1.502 10 0 CDAERP C[N@H+](CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C1CC1 ZINC000368104919 369360402 /nfs/dbraw/zinc/36/04/02/369360402.db2.gz LRANCVWSDRTOAB-HNNXBMFYSA-N 2 0 285.407 1.409 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000170833569 369685157 /nfs/dbraw/zinc/68/51/57/369685157.db2.gz KXBNJOUURAABHC-KGLIPLIRSA-N 2 0 282.432 1.064 10 0 CDAERP C[NH+]1CCC(CC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000370328744 370018406 /nfs/dbraw/zinc/01/84/06/370018406.db2.gz YVJKBNFRWXOSRD-OAHLLOKOSA-N 2 0 279.428 1.415 10 0 CDAERP CCCCOC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000248648697 370106790 /nfs/dbraw/zinc/10/67/90/370106790.db2.gz JYWDPGXFBRABAF-OAGGEKHMSA-N 2 0 284.444 1.580 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000564949526 370307077 /nfs/dbraw/zinc/30/70/77/370307077.db2.gz XJBZOMYFIJPTCZ-UKRRQHHQSA-N 2 0 267.417 1.448 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)NC(C)(C)CC[NH3+])CC1 ZINC000422604315 245129044 /nfs/dbraw/zinc/12/90/44/245129044.db2.gz NRJIFRBESJOMGC-UHFFFAOYSA-N 2 0 284.448 1.535 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCN(c2ccccc2)C1=O ZINC000422698010 245156657 /nfs/dbraw/zinc/15/66/57/245156657.db2.gz XGENDTAKIWOSGT-ZFWWWQNUSA-N 2 0 291.395 1.135 10 0 CDAERP COCCN1CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000375847411 370999949 /nfs/dbraw/zinc/99/99/49/370999949.db2.gz AWBVXHMXOKHXLI-GVDBMIGSSA-N 2 0 295.471 1.560 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCc2cnccn2)[C@H]2CCC[C@H]21 ZINC000375863008 371005814 /nfs/dbraw/zinc/00/58/14/371005814.db2.gz VBPZENARQMKDLX-QLFBSQMISA-N 2 0 260.385 1.482 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCCN(c2ccccc2)C1 ZINC000422739877 245199530 /nfs/dbraw/zinc/19/95/30/245199530.db2.gz AOJOWLADUPAHHH-JKSUJKDBSA-N 2 0 291.439 1.999 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000422743113 245202473 /nfs/dbraw/zinc/20/24/73/245202473.db2.gz HXUJXCTYKOFTOC-MLGOLLRUSA-N 2 0 279.403 1.975 10 0 CDAERP C[C@@H]([NH2+]Cc1ccccc1-n1cccn1)C1C[NH2+]C1 ZINC000422783613 245251141 /nfs/dbraw/zinc/25/11/41/245251141.db2.gz OMMIBTRXYBJFCO-GFCCVEGCSA-N 2 0 256.353 1.570 10 0 CDAERP Cc1nn(C)c(C)c1CC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422805200 245278031 /nfs/dbraw/zinc/27/80/31/245278031.db2.gz ISZUZFKPDXEKJS-ABAIWWIYSA-N 2 0 264.417 1.557 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(C)cc1OC ZINC000422872362 245358992 /nfs/dbraw/zinc/35/89/92/245358992.db2.gz GUOMEQHDICJAHH-AWEZNQCLSA-N 2 0 266.385 1.847 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N[C@@H](C)CC[NH+](C)C ZINC000652141393 412790783 /nfs/dbraw/zinc/79/07/83/412790783.db2.gz OEYYTKCULVKKPZ-ZDUSSCGKSA-N 2 0 292.427 1.545 10 0 CDAERP CC(C)OC[C@H](O)C[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000573596007 371594251 /nfs/dbraw/zinc/59/42/51/371594251.db2.gz NWVCUZAFLWNKGS-JKSUJKDBSA-N 2 0 286.460 1.874 10 0 CDAERP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)C1CC[NH+](C)CC1 ZINC000153824685 541862448 /nfs/dbraw/zinc/86/24/48/541862448.db2.gz HMMBEFXYELMMPA-NWANDNLSSA-N 2 0 254.418 1.857 10 0 CDAERP c1nc(C2CC[NH+](Cc3cnc4cnccn34)CC2)c[nH]1 ZINC000378335158 371924346 /nfs/dbraw/zinc/92/43/46/371924346.db2.gz QULMFEUXRFOQAL-UHFFFAOYSA-N 2 0 282.351 1.832 10 0 CDAERP CC(C)OC[C@H](O)C[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000580552890 372017486 /nfs/dbraw/zinc/01/74/86/372017486.db2.gz FOZKJMCRXWFDHD-HUUCEWRRSA-N 2 0 272.433 1.484 10 0 CDAERP O=C([C@H]1CCC[NH2+]C1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000169816107 372092803 /nfs/dbraw/zinc/09/28/03/372092803.db2.gz NYHAYUDJWDKPND-GJZGRUSLSA-N 2 0 273.380 1.159 10 0 CDAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC(C)(C)C2CCC2)CC1 ZINC000578006341 372216995 /nfs/dbraw/zinc/21/69/95/372216995.db2.gz BVSNIBMCXNFKKU-HNNXBMFYSA-N 2 0 283.460 1.011 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2[NH+](C)CCCC2(C)C)C1 ZINC000578025590 372230645 /nfs/dbraw/zinc/23/06/45/372230645.db2.gz XTJVQSBFIDILTB-ZIAGYGMSSA-N 2 0 281.444 1.565 10 0 CDAERP COC[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000171972473 372259880 /nfs/dbraw/zinc/25/98/80/372259880.db2.gz YQNAFBMHYSMREX-HOTGVXAUSA-N 2 0 284.444 1.438 10 0 CDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C2CCCC2)CC1 ZINC000179297198 372266628 /nfs/dbraw/zinc/26/66/28/372266628.db2.gz UQXPOZVFWZGVBN-CYBMUJFWSA-N 2 0 254.418 1.954 10 0 CDAERP C[C@@H]1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)C[C@@H]1C[NH3+] ZINC000578649776 372532545 /nfs/dbraw/zinc/53/25/45/372532545.db2.gz IWENICLOKZDLAB-QLFBSQMISA-N 2 0 281.444 1.694 10 0 CDAERP CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000353611773 372786350 /nfs/dbraw/zinc/78/63/50/372786350.db2.gz ZXXIILGXXPLYDD-TWMKSMIVSA-N 2 0 293.455 1.707 10 0 CDAERP COc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CC[NH2+]1 ZINC000384805752 373197500 /nfs/dbraw/zinc/19/75/00/373197500.db2.gz ZFIBPWNAGRNPQX-LLVKDONJSA-N 2 0 263.341 1.057 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)N(C)[C@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1C ZINC000341200963 373470835 /nfs/dbraw/zinc/47/08/35/373470835.db2.gz LMIJIKORYAYRBJ-NFAWXSAZSA-N 2 0 294.443 1.347 10 0 CDAERP CCO[C@@H]1C[N@H+](Cc2cccc3c2CCOC3)C[C@H]1C[NH3+] ZINC000631829729 373720300 /nfs/dbraw/zinc/72/03/00/373720300.db2.gz YBXBSVUTUVPPNG-NVXWUHKLSA-N 2 0 290.407 1.555 10 0 CDAERP CCn1ncc(C[N@@H+]2C[C@@H](CO)C3(C2)CC[NH2+]CC3)c1C ZINC000253409096 373715591 /nfs/dbraw/zinc/71/55/91/373715591.db2.gz LKFVLEQYEALHIT-HNNXBMFYSA-N 2 0 292.427 1.005 10 0 CDAERP CCC1([NH+]2CCCC2)CCN(CCC[NH2+]C)CC1 ZINC000631837111 373751902 /nfs/dbraw/zinc/75/19/02/373751902.db2.gz MYKPRGLGJDBUPF-UHFFFAOYSA-N 2 0 253.434 1.936 10 0 CDAERP CC(C)C[C@@H](C[NH3+])NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000418410185 374371954 /nfs/dbraw/zinc/37/19/54/374371954.db2.gz BXYUJHHFBFZHLT-GXTWGEPZSA-N 2 0 282.432 1.238 10 0 CDAERP C[NH2+]CCC1CCN(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000418581589 374416128 /nfs/dbraw/zinc/41/61/28/374416128.db2.gz UXDUBQDSGQMAOI-OCCSQVGLSA-N 2 0 282.432 1.016 10 0 CDAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000418621384 374454940 /nfs/dbraw/zinc/45/49/40/374454940.db2.gz SMKAXBFJUAFCOS-APIJFGDWSA-N 2 0 294.443 1.253 10 0 CDAERP O=C(NCCC[C@H]1CCC[NH2+]1)N1CC[NH+]2CCC1CC2 ZINC000418758338 374568780 /nfs/dbraw/zinc/56/87/80/374568780.db2.gz COIJJMMAGJIXCS-CYBMUJFWSA-N 2 0 280.416 1.008 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000328596056 374713333 /nfs/dbraw/zinc/71/33/33/374713333.db2.gz PRLPGJVGDMFGTF-MGPQQGTHSA-N 2 0 265.401 1.058 10 0 CDAERP CC[NH+](CC)[C@@H](C)CNC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000048394864 375299784 /nfs/dbraw/zinc/29/97/84/375299784.db2.gz PBCJZBUYMHOEFL-ZDUSSCGKSA-N 2 0 296.459 1.643 10 0 CDAERP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047971406 375261099 /nfs/dbraw/zinc/26/10/99/375261099.db2.gz RQSDUCQIRYZIHM-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CC1=CC[N@H+](CCNC(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000415952665 375505571 /nfs/dbraw/zinc/50/55/71/375505571.db2.gz GBYZFOKEWXPLQL-UHFFFAOYSA-N 2 0 288.395 1.919 10 0 CDAERP COc1c(C[NH2+]CCCC[NH+](C)C)c(C)nn1C ZINC000134156358 375614110 /nfs/dbraw/zinc/61/41/10/375614110.db2.gz QCISKZWOUVFZAR-UHFFFAOYSA-N 2 0 254.378 1.169 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@H]1CC ZINC000631256831 376043082 /nfs/dbraw/zinc/04/30/82/376043082.db2.gz RSPCGCAETZLEMA-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000638976390 376325292 /nfs/dbraw/zinc/32/52/92/376325292.db2.gz YNXKDWDSCJPEBW-KBPBESRZSA-N 2 0 281.444 1.707 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000638979524 376342868 /nfs/dbraw/zinc/34/28/68/376342868.db2.gz DLGOYOHWGXTNNZ-UONOGXRCSA-N 2 0 281.444 1.837 10 0 CDAERP C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631838762 376685798 /nfs/dbraw/zinc/68/57/98/376685798.db2.gz UWFKEWKHFQNXFH-HZSPNIEDSA-N 2 0 281.444 1.693 10 0 CDAERP Cn1cncc1CCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631889012 376780837 /nfs/dbraw/zinc/78/08/37/376780837.db2.gz BKNHBMIDGKQXTO-ZFWWWQNUSA-N 2 0 262.401 1.427 10 0 CDAERP C(CN1CCC[C@@H]2C[NH2+]CC[C@@H]21)[C@@H]1CCC[NH2+]C1 ZINC000631889662 376785384 /nfs/dbraw/zinc/78/53/84/376785384.db2.gz KXJSCKXDSXAGPX-ZNMIVQPWSA-N 2 0 251.418 1.450 10 0 CDAERP C[NH+](C)CCN(C(=O)[C@@H]1CCC[C@H]1C[NH3+])C1CCCC1 ZINC000089457843 483080786 /nfs/dbraw/zinc/08/07/86/483080786.db2.gz INDBJAJGZCFIKR-DZGCQCFKSA-N 2 0 281.444 1.694 10 0 CDAERP CC(C)C[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000251761441 377238695 /nfs/dbraw/zinc/23/86/95/377238695.db2.gz LWCGYJWPDMIOFU-AGIUHOORSA-N 2 0 253.390 1.055 10 0 CDAERP COc1cc(C[C@H](C)[NH2+][C@H]2CCc3nc[nH]c3C2)ccn1 ZINC000639192073 377397539 /nfs/dbraw/zinc/39/75/39/377397539.db2.gz OYMJBXVTZAYEMO-AAEUAGOBSA-N 2 0 286.379 1.891 10 0 CDAERP CC[NH+](CC)CCNC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000341455704 284631214 /nfs/dbraw/zinc/63/12/14/284631214.db2.gz DXORFHJAVIREOD-GJZGRUSLSA-N 2 0 298.475 1.890 10 0 CDAERP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000334930428 377696727 /nfs/dbraw/zinc/69/67/27/377696727.db2.gz QORRXGKPTFVLKK-ZIAGYGMSSA-N 2 0 294.443 1.289 10 0 CDAERP O[C@H]([C@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1)C(F)(F)F ZINC000261787870 377904410 /nfs/dbraw/zinc/90/44/10/377904410.db2.gz FZIABGSDKYBINC-SDDRHHMPSA-N 2 0 280.334 1.621 10 0 CDAERP CC(C)OCC[NH+]1CCC(NC(=O)CC[C@H](C)[NH3+])CC1 ZINC000193322079 378274833 /nfs/dbraw/zinc/27/48/33/378274833.db2.gz GUOHTQFOZFXXRB-ZDUSSCGKSA-N 2 0 285.432 1.119 10 0 CDAERP CC(C)[C@@H](O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662324251 412892383 /nfs/dbraw/zinc/89/23/83/412892383.db2.gz STHRLBPUCXGMDR-KBPBESRZSA-N 2 0 258.406 1.046 10 0 CDAERP O=C(C[C@H]1CC[NH2+]C1)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000334538565 378916996 /nfs/dbraw/zinc/91/69/96/378916996.db2.gz AGVNPEKMYZFAPV-LLVKDONJSA-N 2 0 259.353 1.270 10 0 CDAERP C[NH+](C)CCC[C@@H]1CN(C[C@H]2CCC[NH2+]C2)CCO1 ZINC000662327275 412899906 /nfs/dbraw/zinc/89/99/06/412899906.db2.gz LWNOUMKJMPUUNZ-LSDHHAIUSA-N 2 0 269.433 1.029 10 0 CDAERP Cc1cc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)on1 ZINC000069901394 379101621 /nfs/dbraw/zinc/10/16/21/379101621.db2.gz GPROHRFAPZPWFJ-CYBMUJFWSA-N 2 0 281.400 1.508 10 0 CDAERP Cc1cc(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)nn1C ZINC000657572611 412903946 /nfs/dbraw/zinc/90/39/46/412903946.db2.gz CTTAHHWGTPSKGT-ZDUSSCGKSA-N 2 0 281.448 1.090 10 0 CDAERP CO[C@H](C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1)C1CCC1 ZINC000660075049 412906714 /nfs/dbraw/zinc/90/67/14/412906714.db2.gz VTNXQGQHGMKPGQ-IAGOWNOFSA-N 2 0 295.471 1.513 10 0 CDAERP CCC[NH+]1CCC(C[NH2+]C2CCN(C(N)=O)CC2)CC1 ZINC000344211143 379264995 /nfs/dbraw/zinc/26/49/95/379264995.db2.gz JXDYUDSIJVLBBG-UHFFFAOYSA-N 2 0 282.432 1.241 10 0 CDAERP CC(C)[C@H](C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1)[C@H](C)[NH3+] ZINC000634301001 379354605 /nfs/dbraw/zinc/35/46/05/379354605.db2.gz TWEKKWTZZOSRQN-MJBXVCDLSA-N 2 0 269.433 1.404 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054292468 483129582 /nfs/dbraw/zinc/12/95/82/483129582.db2.gz HJOQILSDZVJUSD-STQMWFEESA-N 2 0 255.406 1.223 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000662386427 412946294 /nfs/dbraw/zinc/94/62/94/412946294.db2.gz IFZUSMZNWNDNFX-ZNMIVQPWSA-N 2 0 299.459 1.223 10 0 CDAERP CC(C)C[C@@H]([NH3+])C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000040810376 184549206 /nfs/dbraw/zinc/54/92/06/184549206.db2.gz BIKVBGNHVFQWRE-GFCCVEGCSA-N 2 0 269.433 1.785 10 0 CDAERP CCC[NH2+][C@](C)(CO)CC[NH+]1CCC(COC)CC1 ZINC000085211795 184605448 /nfs/dbraw/zinc/60/54/48/184605448.db2.gz CDFHGKIDSZKDAF-HNNXBMFYSA-N 2 0 272.433 1.486 10 0 CDAERP CC(C)([NH3+])c1cc(C(=O)N[C@H](C[NH3+])C2CCCCC2)on1 ZINC000662417329 412990622 /nfs/dbraw/zinc/99/06/22/412990622.db2.gz KCBSTWLXCJZFCN-LLVKDONJSA-N 2 0 294.399 1.506 10 0 CDAERP CO[C@H]1C[C@@H]([NH+](C)CC(C)C[N@@H+](C)[C@H]2C[C@@H](OC)C2)C1 ZINC000510092156 254105857 /nfs/dbraw/zinc/10/58/57/254105857.db2.gz NKNMLWJRQGIZGD-RUPPMWDTSA-N 2 0 284.444 1.841 10 0 CDAERP CN1CCN(C(=O)[C@H]2CCCC3(CC3)C2)[C@H](C[NH3+])C1 ZINC000662428135 413006157 /nfs/dbraw/zinc/00/61/57/413006157.db2.gz HKTNRYLTARQFIN-QWHCGFSZSA-N 2 0 265.401 1.058 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261635406 285199249 /nfs/dbraw/zinc/19/92/49/285199249.db2.gz CFIBJRYSSZGWGT-MGPQQGTHSA-N 2 0 267.417 1.352 10 0 CDAERP CCS(=O)(=O)C1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000657758337 413013490 /nfs/dbraw/zinc/01/34/90/413013490.db2.gz HFBIDACRJDVCJB-CHWSQXEVSA-N 2 0 286.441 1.170 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000185351963 285264203 /nfs/dbraw/zinc/26/42/03/285264203.db2.gz FQSDUEDMNGLNFS-AWEZNQCLSA-N 2 0 281.444 1.886 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000187797670 140083084 /nfs/dbraw/zinc/08/30/84/140083084.db2.gz OJZYSRRNERZZBV-LSDHHAIUSA-N 2 0 298.475 1.556 10 0 CDAERP CC(C)CC[C@H](C)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000517088993 390150801 /nfs/dbraw/zinc/15/08/01/390150801.db2.gz CPORFTKRGRINGK-GJZGRUSLSA-N 2 0 271.449 1.009 10 0 CDAERP CC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)C(C)C ZINC001663411424 1172690879 /nfs/dbraw/zinc/69/08/79/1172690879.db2.gz NKNOBLCXVFVKFU-UHFFFAOYSA-N 2 0 269.433 1.707 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]CC2(O)Cc3ccccc3C2)CC[N@@H+]1C ZINC000363789064 390492883 /nfs/dbraw/zinc/49/28/83/390492883.db2.gz MNTHDERIHSSTMC-BBRMVZONSA-N 2 0 274.408 1.589 10 0 CDAERP C[N@@H+]1CCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)C2(CCCCC2)C1 ZINC000237199334 390799247 /nfs/dbraw/zinc/79/92/47/390799247.db2.gz PXYAWSGHHQQUIE-LSDHHAIUSA-N 2 0 293.455 1.981 10 0 CDAERP O=C(CC1CC[NH2+]CC1)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648205443 390951635 /nfs/dbraw/zinc/95/16/35/390951635.db2.gz FHGPLSNBEFVFCE-ZDUSSCGKSA-N 2 0 265.401 1.167 10 0 CDAERP CC(C)[C@H](C[NH2+]Cc1ccns1)N1CC[NH+](C)CC1 ZINC000404455319 390959294 /nfs/dbraw/zinc/95/92/94/390959294.db2.gz JGPQIRLJHRDUGA-AWEZNQCLSA-N 2 0 282.457 1.505 10 0 CDAERP [NH3+][C@H]1CC[C@H](C(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000237893488 390888264 /nfs/dbraw/zinc/88/82/64/390888264.db2.gz WRLDUMOULYMTRR-HOCLYGCPSA-N 2 0 287.407 1.288 10 0 CDAERP C[C@H](Cc1ccccc1)CN1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000647507519 390974791 /nfs/dbraw/zinc/97/47/91/390974791.db2.gz RGACJBSHARWEAQ-YCPHGPKFSA-N 2 0 262.397 1.913 10 0 CDAERP Cc1nn(C)c(C)c1CC[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000415079683 390990316 /nfs/dbraw/zinc/99/03/16/390990316.db2.gz IGVZEEUTSDBWDB-RISCZKNCSA-N 2 0 264.417 1.557 10 0 CDAERP CC(C)[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000367925708 391008617 /nfs/dbraw/zinc/00/86/17/391008617.db2.gz MQDPTICXBWMXFF-FVQBIDKESA-N 2 0 266.429 1.952 10 0 CDAERP CC[NH2+]CCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000417949656 391048707 /nfs/dbraw/zinc/04/87/07/391048707.db2.gz VLSABBBZVSUZSO-LSDHHAIUSA-N 2 0 290.411 1.341 10 0 CDAERP OCCCOC1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000647889984 391161909 /nfs/dbraw/zinc/16/19/09/391161909.db2.gz CJAPORYDWWFUGG-UHFFFAOYSA-N 2 0 270.417 1.240 10 0 CDAERP C[C@@H]1CN(CC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)CCO1 ZINC000647903824 391202459 /nfs/dbraw/zinc/20/24/59/391202459.db2.gz QLIKFEKKHMPMRC-OAGGEKHMSA-N 2 0 281.444 1.171 10 0 CDAERP CCCN(CC[NH+]1CCCCC1)C(=O)NCCC[NH3+] ZINC000418308251 391295180 /nfs/dbraw/zinc/29/51/80/391295180.db2.gz FXPBUKFSTITDEY-UHFFFAOYSA-N 2 0 270.421 1.243 10 0 CDAERP Nc1cc[nH+]cc1C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000648105121 391338873 /nfs/dbraw/zinc/33/88/73/391338873.db2.gz YAPRMINRBHIYOE-BXUZGUMPSA-N 2 0 274.368 1.098 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000418351234 391363397 /nfs/dbraw/zinc/36/33/97/391363397.db2.gz RSYFBINXVGKJIW-CABCVRRESA-N 2 0 296.459 1.502 10 0 CDAERP CN(C(=O)NCCC[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418352225 391364539 /nfs/dbraw/zinc/36/45/39/391364539.db2.gz MMTCQZAUEAYIQK-HNNXBMFYSA-N 2 0 290.411 1.251 10 0 CDAERP C[C@@H]1CN(C(=O)CC[C@@H]2CCCC[NH+]2C)C[C@H](C)[N@H+]1C ZINC000452150376 391369323 /nfs/dbraw/zinc/36/93/23/391369323.db2.gz ISLKMSCMHAKASL-ZNMIVQPWSA-N 2 0 281.444 1.802 10 0 CDAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2C[C@H](C)[C@H]2C)CC1 ZINC000495079186 391504814 /nfs/dbraw/zinc/50/48/14/391504814.db2.gz MXBNYLSPKVUAQM-QKPAOTATSA-N 2 0 267.461 1.894 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000417852279 391508996 /nfs/dbraw/zinc/50/89/96/391508996.db2.gz NYBNVFWEBNLNTR-IHRRRGAJSA-N 2 0 281.444 1.646 10 0 CDAERP CC[N@H+](CCNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C1CC1 ZINC000417428229 391517297 /nfs/dbraw/zinc/51/72/97/391517297.db2.gz KMLYGKNYEOVGLE-BETUJISGSA-N 2 0 280.416 1.007 10 0 CDAERP CC[C@H]1CC[C@H](C)[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000357557631 391521488 /nfs/dbraw/zinc/52/14/88/391521488.db2.gz YZFCKZXVGXDMBP-ZFWWWQNUSA-N 2 0 293.455 1.992 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1CC[C@H]1CC[NH2+]C1 ZINC000251898322 391553733 /nfs/dbraw/zinc/55/37/33/391553733.db2.gz WEEMZDHYIATTFA-KFWWJZLASA-N 2 0 251.418 1.545 10 0 CDAERP C[NH+](C)Cc1cc(CNC(=O)N2CC[NH2+]CC2)ccc1F ZINC000417665478 391728870 /nfs/dbraw/zinc/72/88/70/391728870.db2.gz YTWUOGCFDYKKOP-UHFFFAOYSA-N 2 0 294.374 1.002 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000520374523 391788722 /nfs/dbraw/zinc/78/87/22/391788722.db2.gz AQLAWTRSOLLGOL-HIFRSBDPSA-N 2 0 296.459 1.548 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCCC[NH+]2CCCC2)CC[N@@H+]1C ZINC000448598809 391898837 /nfs/dbraw/zinc/89/88/37/391898837.db2.gz WGOQUNITVWBGFB-KBPBESRZSA-N 2 0 267.417 1.319 10 0 CDAERP CC[C@H](C[NH+]1CCCC1)NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000646010818 391900648 /nfs/dbraw/zinc/90/06/48/391900648.db2.gz OUYOMWMCGCNLIP-MELADBBJSA-N 2 0 267.417 1.365 10 0 CDAERP [NH3+]C[C@@H]1c2ccccc2CCN1CCC1CC[NH2+]CC1 ZINC000567896412 391983870 /nfs/dbraw/zinc/98/38/70/391983870.db2.gz JHWPCXVFPPQDAW-QGZVFWFLSA-N 2 0 273.424 1.934 10 0 CDAERP C[NH+]1CCC2(CC1)C[N@@H+]([C@H]1C=CCCC1)CCO2 ZINC000646104734 392012346 /nfs/dbraw/zinc/01/23/46/392012346.db2.gz WQKDPOQDUAFMJB-AWEZNQCLSA-N 2 0 250.386 1.892 10 0 CDAERP CC(C)[C@H](C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[C@H](C)[NH3+] ZINC000649319204 392013397 /nfs/dbraw/zinc/01/33/97/392013397.db2.gz OKRNPMGKBSHPLA-FZMZJTMJSA-N 2 0 287.367 1.825 10 0 CDAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000334887712 391972710 /nfs/dbraw/zinc/97/27/10/391972710.db2.gz IBUKNBCABUQHFU-GXTWGEPZSA-N 2 0 296.459 1.547 10 0 CDAERP COC(C)(C)CC[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000336805901 392088259 /nfs/dbraw/zinc/08/82/59/392088259.db2.gz VOPUVUAOROXWKJ-UHFFFAOYSA-N 2 0 272.433 1.580 10 0 CDAERP CC(C)[C@@H](O)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000336828549 392112557 /nfs/dbraw/zinc/11/25/57/392112557.db2.gz AJPJFJKZKMWXSM-CVEARBPZSA-N 2 0 283.460 1.105 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](CO)Cc1ccc(C)cc1 ZINC000423063060 392311094 /nfs/dbraw/zinc/31/10/94/392311094.db2.gz VKCVQXWFLSMJKM-JKSUJKDBSA-N 2 0 280.412 1.242 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000423071414 392316968 /nfs/dbraw/zinc/31/69/68/392316968.db2.gz HUAGUGFSSMMVSV-SLEUVZQESA-N 2 0 293.386 1.642 10 0 CDAERP CC[N@@H+]1CC[C@H](CN[C@@H](Cc2ccccc2)[C@@H](C)[NH3+])C1 ZINC000422689182 392249549 /nfs/dbraw/zinc/24/95/49/392249549.db2.gz DULYDXIHLGKPLU-OIISXLGYSA-N 2 0 275.440 1.876 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000422883493 392269435 /nfs/dbraw/zinc/26/94/35/392269435.db2.gz CIEIEZLSOFVELT-XFIYOXNOSA-N 2 0 283.460 1.591 10 0 CDAERP Cc1nn(C)c(C)c1CCC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423018919 392278498 /nfs/dbraw/zinc/27/84/98/392278498.db2.gz SKFUXRBRDWTANP-IUODEOHRSA-N 2 0 264.417 1.700 10 0 CDAERP C[NH+]1CCC(C)(C[NH2+][C@H](C2CC2)[C@H]2CNCCO2)CC1 ZINC000423046567 392296682 /nfs/dbraw/zinc/29/66/82/392296682.db2.gz UBZOMNWWXQSJAC-HUUCEWRRSA-N 2 0 281.444 1.075 10 0 CDAERP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000423100383 392344600 /nfs/dbraw/zinc/34/46/00/392344600.db2.gz BOVZGHUGKUYSCO-CWRNSKLLSA-N 2 0 262.397 1.568 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000423103653 392346693 /nfs/dbraw/zinc/34/66/93/392346693.db2.gz XSNLJGFELJZALM-YIYPIFLZSA-N 2 0 268.401 1.696 10 0 CDAERP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000237975137 131070221 /nfs/dbraw/zinc/07/02/21/131070221.db2.gz LMNNKAZWDWCYSX-KBPBESRZSA-N 2 0 291.395 1.675 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000423117109 392357687 /nfs/dbraw/zinc/35/76/87/392357687.db2.gz TUAPDTPTOJHPQG-LXTVHRRPSA-N 2 0 272.433 1.924 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CC1(COC)CCCCC1 ZINC000423137139 392376069 /nfs/dbraw/zinc/37/60/69/392376069.db2.gz HUAAZKUMFDJLMJ-AWEZNQCLSA-N 2 0 272.433 1.927 10 0 CDAERP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CC(F)(F)CN ZINC000568153707 392375532 /nfs/dbraw/zinc/37/55/32/392375532.db2.gz SWOZTAMCBWNNJE-GRYCIOLGSA-N 2 0 291.386 1.453 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000629528499 392384525 /nfs/dbraw/zinc/38/45/25/392384525.db2.gz AQVJKJGCUUMWFV-GFCCVEGCSA-N 2 0 264.369 1.603 10 0 CDAERP C[N@H+](CCCC[NH2+][C@@H](C1CC1)[C@@H]1CNCCO1)C1CC1 ZINC000423157093 392395358 /nfs/dbraw/zinc/39/53/58/392395358.db2.gz AFNBMZLIRRVZRL-HOTGVXAUSA-N 2 0 281.444 1.217 10 0 CDAERP C[C@@H]1C[C@@H](NCCC[NH2+]Cc2cccnc2)CC[N@@H+]1C ZINC000423189957 392429917 /nfs/dbraw/zinc/42/99/17/392429917.db2.gz QJJYJJQEVNTXDV-ZBFHGGJFSA-N 3 0 276.428 1.634 10 0 CDAERP C[C@H]1C[C@H](NCCC[NH2+]Cc2cccnc2)CC[N@@H+]1C ZINC000423189955 392430006 /nfs/dbraw/zinc/43/00/06/392430006.db2.gz QJJYJJQEVNTXDV-GOEBONIOSA-N 3 0 276.428 1.634 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CC1([NH3+])CCCCCC1 ZINC000423200529 392438385 /nfs/dbraw/zinc/43/83/85/392438385.db2.gz MIMLBLBOFKYUDT-ZDUSSCGKSA-N 3 0 257.422 1.382 10 0 CDAERP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1cnn(C2CCCC2)c1 ZINC000423201013 392438561 /nfs/dbraw/zinc/43/85/61/392438561.db2.gz GYPMBCRYIYMENQ-CQSZACIVSA-N 2 0 291.443 1.554 10 0 CDAERP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1nccn1C ZINC000488678302 392401054 /nfs/dbraw/zinc/40/10/54/392401054.db2.gz VGVKLDZLLRLMQV-CYBMUJFWSA-N 2 0 278.400 1.105 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H](CO)Cc1ccc(C)c(C)c1 ZINC000423162678 392401471 /nfs/dbraw/zinc/40/14/71/392401471.db2.gz LNXIMSOPCLKTMH-IAGOWNOFSA-N 2 0 294.439 1.550 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@H](CO)Cc1ccc(C)c(C)c1 ZINC000423162680 392401867 /nfs/dbraw/zinc/40/18/67/392401867.db2.gz LNXIMSOPCLKTMH-SJORKVTESA-N 2 0 294.439 1.550 10 0 CDAERP C[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1C[C@H]1C ZINC000423394980 392573474 /nfs/dbraw/zinc/57/34/74/392573474.db2.gz QQFXMAOCYQVFLB-WISYIIOYSA-N 2 0 279.350 1.457 10 0 CDAERP CC[C@@H](O)CC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000448855142 392547128 /nfs/dbraw/zinc/54/71/28/392547128.db2.gz XLWJJCLAVQWFQL-HUUCEWRRSA-N 2 0 299.459 1.022 10 0 CDAERP CCC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC)[NH+](C)C ZINC000128096320 392642045 /nfs/dbraw/zinc/64/20/45/392642045.db2.gz DGPBQOSDCNDFLP-STQMWFEESA-N 2 0 255.406 1.317 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+][C@H](C)Cc2ccoc2)CC1 ZINC000449222016 392715571 /nfs/dbraw/zinc/71/55/71/392715571.db2.gz VDPUZTKVDIDUKF-OAHLLOKOSA-N 2 0 279.428 1.828 10 0 CDAERP C[C@@H](O)CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000450890210 392985338 /nfs/dbraw/zinc/98/53/38/392985338.db2.gz UQBVWEFPTXZMFR-OIISXLGYSA-N 2 0 274.408 1.821 10 0 CDAERP CCC[C@@H](C(=O)NC[C@H](C)[N@H+](C)C1CC1)[NH+](C)C ZINC000132322370 393097197 /nfs/dbraw/zinc/09/71/97/393097197.db2.gz LINUPWIVHFDZOC-AAEUAGOBSA-N 2 0 255.406 1.316 10 0 CDAERP CC1(C)NC(=O)CC[C@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000494985336 393148270 /nfs/dbraw/zinc/14/82/70/393148270.db2.gz JHYISFBITAKIEI-CQSZACIVSA-N 2 0 279.428 1.508 10 0 CDAERP CC[C@H]([NH2+]C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000662484611 413057787 /nfs/dbraw/zinc/05/77/87/413057787.db2.gz NBKMJFKIMQTVNI-RDBSUJKOSA-N 2 0 267.417 1.458 10 0 CDAERP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649281585 393315885 /nfs/dbraw/zinc/31/58/85/393315885.db2.gz VHXIETGIUXKZCE-FVQHAEBGSA-N 2 0 299.418 1.364 10 0 CDAERP O=C(C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)NC1CC[NH+](C2CC2)CC1 ZINC000459796415 393364581 /nfs/dbraw/zinc/36/45/81/393364581.db2.gz YRVXMKQGXNZYAJ-KCXAZCMYSA-N 2 0 291.439 1.508 10 0 CDAERP CC[NH+]1CCN(CC(C)(C)[NH2+]CCC(C)(C)OC)CC1 ZINC000451985168 393419075 /nfs/dbraw/zinc/41/90/75/393419075.db2.gz MEYPGJNKXKWZAM-UHFFFAOYSA-N 2 0 285.476 1.807 10 0 CDAERP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186527779 140062759 /nfs/dbraw/zinc/06/27/59/140062759.db2.gz ISGSWHKIWGLQMO-JALIKCBVSA-N 2 0 291.439 1.650 10 0 CDAERP COc1ccc(OC)c(C[NH2+]CCOCC[NH+](C)C)c1 ZINC000230005018 140205216 /nfs/dbraw/zinc/20/52/16/140205216.db2.gz QHJLPPRMFZLKDS-UHFFFAOYSA-N 2 0 282.384 1.372 10 0 CDAERP c1cc(CNC2=[NH+]CCCN2)cc(C[NH+]2CCCC2)c1 ZINC000261701483 140377738 /nfs/dbraw/zinc/37/77/38/140377738.db2.gz CPFTYGZHDKHRDM-UHFFFAOYSA-N 2 0 272.396 1.721 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@H]([NH+](C)C)C2)C1 ZINC000105174307 147215512 /nfs/dbraw/zinc/21/55/12/147215512.db2.gz QAFARQPPXYLEFZ-KGLIPLIRSA-N 2 0 282.432 1.206 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000662518264 413086577 /nfs/dbraw/zinc/08/65/77/413086577.db2.gz IIUUFLVXNXWREX-HOCLYGCPSA-N 2 0 281.444 1.600 10 0 CDAERP O=C(C[C@H]1CC[NH2+]C1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662524436 413094733 /nfs/dbraw/zinc/09/47/33/413094733.db2.gz WVVGRWMEFSUNCZ-KFWWJZLASA-N 2 0 279.428 1.224 10 0 CDAERP COC[C@H](C[NH+]1CCN(c2cnccc2C)CC1)OC ZINC000660465853 413145478 /nfs/dbraw/zinc/14/54/78/413145478.db2.gz OXXSDSSHJUKCOQ-AWEZNQCLSA-N 2 0 279.384 1.173 10 0 CDAERP C[C@@H]1C[C@H](NC[C@H]2CC[NH+]2C(C)(C)C)CC[N@@H+]1C ZINC000658057285 413162061 /nfs/dbraw/zinc/16/20/61/413162061.db2.gz OJKVNYKAVQXAKW-MGPQQGTHSA-N 2 0 253.434 1.932 10 0 CDAERP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)[C@@H]1CCOC1 ZINC000658067179 413166587 /nfs/dbraw/zinc/16/65/87/413166587.db2.gz LJYIFQZVSGOVND-GDBMZVCRSA-N 2 0 296.455 1.892 10 0 CDAERP CO[C@H](C[NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@@H]1CCOC1 ZINC000658074260 413174309 /nfs/dbraw/zinc/17/43/09/413174309.db2.gz SCJXZBYFIIJKNK-UKRRQHHQSA-N 2 0 284.444 1.890 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCC2([NH+](C)C)CCCC2)C1 ZINC000654349610 413173051 /nfs/dbraw/zinc/17/30/51/413173051.db2.gz LKZZJRHTZACRMD-OKILXGFUSA-N 2 0 296.459 1.500 10 0 CDAERP [NH3+]C[C@H](c1nc([C@H]2CCC[NH2+]2)no1)c1ccc(F)cc1 ZINC000647147987 397874736 /nfs/dbraw/zinc/87/47/36/397874736.db2.gz CSYNRKPHOJQQIC-NWDGAFQWSA-N 2 0 276.315 1.724 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])C[C@@H]1C ZINC000415018336 285879954 /nfs/dbraw/zinc/87/99/54/285879954.db2.gz QTCBRZHSWXQIIQ-IEECTRCBSA-N 2 0 256.390 1.680 10 0 CDAERP CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000262066281 149007503 /nfs/dbraw/zinc/00/75/03/149007503.db2.gz SBGDDLSGMCSWQT-LSDHHAIUSA-N 2 0 297.443 1.121 10 0 CDAERP C[C@]1(CN2CCC([NH2+]CC3CC3)CC2)CC[NH2+]C1 ZINC000262101834 149017977 /nfs/dbraw/zinc/01/79/77/149017977.db2.gz VQEYGONJVZUHQQ-HNNXBMFYSA-N 2 0 251.418 1.450 10 0 CDAERP C[C@@H](CC(=O)N1CC[NH+]2CCC1CC2)[C@@H]1CCC[NH2+]C1 ZINC000335037823 150214739 /nfs/dbraw/zinc/21/47/39/150214739.db2.gz MQAJBVZLGRYSQE-UONOGXRCSA-N 2 0 279.428 1.319 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](CC(=O)NCC2CCC2)CC1 ZINC000343079306 152024017 /nfs/dbraw/zinc/02/40/17/152024017.db2.gz OCXQZSNBDVYALD-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CCCC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1CC1 ZINC000343117477 152039806 /nfs/dbraw/zinc/03/98/06/152039806.db2.gz NOHWOXKFHUCEMX-UHFFFAOYSA-N 2 0 293.455 1.994 10 0 CDAERP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC([NH+](C)C)CC1 ZINC000347037473 153388886 /nfs/dbraw/zinc/38/88/86/153388886.db2.gz XQEZJNZETKJYII-GFCCVEGCSA-N 2 0 269.433 1.706 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000347060993 153397257 /nfs/dbraw/zinc/39/72/57/153397257.db2.gz YHUYCCSRJDTNFD-CABCVRRESA-N 2 0 281.444 1.804 10 0 CDAERP C[C@@H]1C[C@H](C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)CCO1 ZINC000349062046 154042544 /nfs/dbraw/zinc/04/25/44/154042544.db2.gz LCMHWXGGOXCUIV-HZPDHXFCSA-N 2 0 297.487 1.759 10 0 CDAERP C[C@H](CNC(=O)C[C@H]1CC[NH2+]C1)[N@@H+]1CCCC[C@@H]1C ZINC000662679504 413299673 /nfs/dbraw/zinc/29/96/73/413299673.db2.gz PJQDCZQJPYNFNO-BFHYXJOUSA-N 2 0 267.417 1.365 10 0 CDAERP C[NH+](C)[C@]1(CNC(=O)C2([NH2+]C3CC3)CCC2)CCSC1 ZINC000662683406 413306808 /nfs/dbraw/zinc/30/68/08/413306808.db2.gz ZBBUZIBDSFVPDV-AWEZNQCLSA-N 2 0 297.468 1.215 10 0 CDAERP C[C@@H](CNC(=O)c1cc(C(C)(C)[NH3+])no1)C[NH+]1CCCC1 ZINC000662686142 413311608 /nfs/dbraw/zinc/31/16/08/413311608.db2.gz BQTPCAOJGCLVKW-NSHDSACASA-N 2 0 294.399 1.330 10 0 CDAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)CC1([NH3+])CC1 ZINC000662688796 413316215 /nfs/dbraw/zinc/31/62/15/413316215.db2.gz BOCXSVLOQUSNAC-AWEZNQCLSA-N 2 0 275.396 1.157 10 0 CDAERP COC[C@@H](C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2)OC ZINC000660638167 413319562 /nfs/dbraw/zinc/31/95/62/413319562.db2.gz AHFNWTRQPILMFL-ZIAGYGMSSA-N 2 0 256.390 1.066 10 0 CDAERP [NH3+][C@@H](Cc1cn([C@@H]2CCC[NH2+]C2)nn1)Cc1ccccc1 ZINC000656468480 413329342 /nfs/dbraw/zinc/32/93/42/413329342.db2.gz YMWFUXVTQSHDDS-GDBMZVCRSA-N 2 0 285.395 1.315 10 0 CDAERP CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654487503 413348151 /nfs/dbraw/zinc/34/81/51/413348151.db2.gz KILBOYDIZJFEPN-SOUVJXGZSA-N 2 0 296.459 1.500 10 0 CDAERP CO[C@@H](C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)C1CC1 ZINC000660665580 413357564 /nfs/dbraw/zinc/35/75/64/413357564.db2.gz WSKFTABDKBAIBQ-GJZGRUSLSA-N 2 0 252.402 1.829 10 0 CDAERP CCN(C)C[C@@H](O)C[N@@H+]1CCc2ccccc2[C@@H](C)C1 ZINC000404749168 413368036 /nfs/dbraw/zinc/36/80/36/413368036.db2.gz UXIQNRYDDACWTO-GOEBONIOSA-N 2 0 276.424 1.961 10 0 CDAERP O=C(N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)C1([NH2+]C2CC2)CCC1 ZINC000662759246 413444079 /nfs/dbraw/zinc/44/40/79/413444079.db2.gz BPCBGJKOPIGXJR-UKRRQHHQSA-N 2 0 291.439 1.652 10 0 CDAERP C[NH2+]C[C@@](C)(O)C[N@H+](C)C[C@@H]1CCc2ccccc21 ZINC000662321332 411689467 /nfs/dbraw/zinc/68/94/67/411689467.db2.gz HFVFMGVUHRWTFE-GOEBONIOSA-N 2 0 262.397 1.619 10 0 CDAERP [NH3+]Cc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000022152592 171359406 /nfs/dbraw/zinc/35/94/06/171359406.db2.gz WKGXWJZFKZBBPW-UHFFFAOYSA-N 2 0 261.369 1.960 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000653213979 412142102 /nfs/dbraw/zinc/14/21/02/412142102.db2.gz BBBWIWSRCFFIJF-RISCZKNCSA-N 2 0 261.369 1.020 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CC3CCC2(C[NH3+])CC3)CC[N@@H+]1C ZINC000653169255 412106266 /nfs/dbraw/zinc/10/62/66/412106266.db2.gz VQRKMFLDFMHSQM-KLNSDEMFSA-N 2 0 265.401 1.057 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCOCCF ZINC000663341452 412111372 /nfs/dbraw/zinc/11/13/72/412111372.db2.gz OYSMKSNOORRSAD-UHFFFAOYSA-N 2 0 278.331 1.651 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000653214243 412142494 /nfs/dbraw/zinc/14/24/94/412142494.db2.gz MRBOEBKZCGIWIL-HNNXBMFYSA-N 2 0 275.396 1.554 10 0 CDAERP C[C@@H]([NH3+])c1ccc(C(=O)NCCC2(C[NH3+])CC2)cc1 ZINC000653222456 412150973 /nfs/dbraw/zinc/15/09/73/412150973.db2.gz BTSFSYWPADKDOM-LLVKDONJSA-N 2 0 261.369 1.565 10 0 CDAERP C[C@@H]1CCCN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)[C@H]1CC[NH3+] ZINC000653241138 412160223 /nfs/dbraw/zinc/16/02/23/412160223.db2.gz YEOOFMMAXHPCDA-RFGFWPKPSA-N 2 0 267.417 1.350 10 0 CDAERP CC(C)(CCC[NH3+])NC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662780893 413488659 /nfs/dbraw/zinc/48/86/59/413488659.db2.gz UQIZKXCVNDACIH-UHFFFAOYSA-N 2 0 294.399 1.389 10 0 CDAERP CCO[C@@H]1CN([C@@H](C)C(=O)NC2CCCCC2)C[C@H]1C[NH3+] ZINC000405615729 413641451 /nfs/dbraw/zinc/64/14/51/413641451.db2.gz UGXKMWBGFXDVQP-GZBFAFLISA-N 2 0 297.443 1.119 10 0 CDAERP CN(CC1C[NH+](C)C1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000660364645 413668097 /nfs/dbraw/zinc/66/80/97/413668097.db2.gz UMUBIZINMKADEX-UHFFFAOYSA-N 2 0 294.443 1.064 10 0 CDAERP CCN(C(=O)NCC1([NH+](C)C)CCC1)[C@H]1CC[N@H+](C)C1 ZINC000664722012 413618173 /nfs/dbraw/zinc/61/81/73/413618173.db2.gz XOMAGZKZUUCFLF-ZDUSSCGKSA-N 2 0 282.432 1.206 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000659426225 413809481 /nfs/dbraw/zinc/80/94/81/413809481.db2.gz UUNOGZUGOKAWKP-CQSZACIVSA-N 2 0 298.475 1.924 10 0 CDAERP C[NH2+]C[C@H](C)NC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000659453686 413840271 /nfs/dbraw/zinc/84/02/71/413840271.db2.gz ZKGQEQVGFLAVGO-RWMBFGLXSA-N 2 0 270.421 1.156 10 0 CDAERP C[C@H](NC(=O)NC[C@H]([NH3+])c1ccccc1)c1nccn1C ZINC000659519268 413916927 /nfs/dbraw/zinc/91/69/27/413916927.db2.gz GTUITKAKYDBYHZ-AAEUAGOBSA-N 2 0 287.367 1.480 10 0 CDAERP Cc1cncc(CC[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])n1 ZINC000665274568 414008878 /nfs/dbraw/zinc/00/88/78/414008878.db2.gz SWFDGPKIYHXGRN-RHSMWYFYSA-N 2 0 284.407 1.876 10 0 CDAERP C[C@H]1C[C@@H](NCC23CC(C2)C[NH2+]3)C[N@@H+]1Cc1ccccc1 ZINC000665278163 414015243 /nfs/dbraw/zinc/01/52/43/414015243.db2.gz WMWGEXWTWSZBAW-FQXVJMBOSA-N 2 0 285.435 1.991 10 0 CDAERP CCC[N@@H+]1CC[C@@H](NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000659610261 414017179 /nfs/dbraw/zinc/01/71/79/414017179.db2.gz NKGYATKVAIMWKR-GDBMZVCRSA-N 2 0 294.443 1.256 10 0 CDAERP COC[C@H](CC[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)OC ZINC000665234385 413958454 /nfs/dbraw/zinc/95/84/54/413958454.db2.gz CAMAKUMSGKLUNB-FZMZJTMJSA-N 2 0 281.400 1.551 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407422010 413959775 /nfs/dbraw/zinc/95/97/75/413959775.db2.gz LVDPANDLQZTOCO-KFWWJZLASA-N 2 0 281.444 1.610 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]1NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000665240556 413972974 /nfs/dbraw/zinc/97/29/74/413972974.db2.gz NJZGQJVAAHZHKS-ZACQAIPSSA-N 2 0 289.423 1.223 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000661362799 414022794 /nfs/dbraw/zinc/02/27/94/414022794.db2.gz WHXYVEPLOSMFDJ-MELADBBJSA-N 2 0 296.459 1.499 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)C1 ZINC000655827313 414236611 /nfs/dbraw/zinc/23/66/11/414236611.db2.gz RHUVUKPENVBHIC-OKILXGFUSA-N 2 0 296.436 1.520 10 0 CDAERP [NH3+]CC[C@@H](NCc1nc2c(s1)C[NH2+]CC2)C(F)(F)F ZINC000663496990 414293805 /nfs/dbraw/zinc/29/38/05/414293805.db2.gz KHEPCKSSRHRGCZ-SECBINFHSA-N 2 0 294.346 1.158 10 0 CDAERP CC1(C)C[NH2+]CC[C@H]1NCc1nc2c(s1)C[NH2+]CC2 ZINC000663500182 414302988 /nfs/dbraw/zinc/30/29/88/414302988.db2.gz YTNNJTCMEDGYRH-GFCCVEGCSA-N 2 0 280.441 1.267 10 0 CDAERP C[C@H](CCCO)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657478662 414375912 /nfs/dbraw/zinc/37/59/12/414375912.db2.gz LNONKCLODDIBFG-CYBMUJFWSA-N 2 0 274.368 1.766 10 0 CDAERP C[C@@H]1C[C@H](C)CN(CC[NH2+][C@H]2C[C@@H](O)C23CCC3)C1 ZINC000661828584 414387160 /nfs/dbraw/zinc/38/71/60/414387160.db2.gz VDKYHPGLWCQZGJ-LJISPDSOSA-N 2 0 266.429 1.857 10 0 CDAERP c1cc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)n[nH]1 ZINC000657534774 414420556 /nfs/dbraw/zinc/42/05/56/414420556.db2.gz DALFQKMVYAQFFK-UHFFFAOYSA-N 2 0 278.400 1.390 10 0 CDAERP Cn1cc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cn1 ZINC000657537078 414422169 /nfs/dbraw/zinc/42/21/69/414422169.db2.gz ZRSQMVPUYSRYPC-UHFFFAOYSA-N 2 0 292.427 1.401 10 0 CDAERP O[C@H]1CC[N@@H+](C2CC[NH+](CC[C@H]3CCCCO3)CC2)C1 ZINC000662149744 414537961 /nfs/dbraw/zinc/53/79/61/414537961.db2.gz QFBSIXIXRBSALK-JKSUJKDBSA-N 2 0 282.428 1.477 10 0 CDAERP COCC[N@H+](CC(C)C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662252283 414588250 /nfs/dbraw/zinc/58/82/50/414588250.db2.gz OIYYLNIOSYAOJD-ZDUSSCGKSA-N 2 0 256.390 1.112 10 0 CDAERP COCCCOC1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662255325 414589225 /nfs/dbraw/zinc/58/92/25/414589225.db2.gz CZVKSERQBCZOAI-HNNXBMFYSA-N 2 0 298.427 1.025 10 0 CDAERP C(OC1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1)C1CC1 ZINC000662257167 414591342 /nfs/dbraw/zinc/59/13/42/414591342.db2.gz NMNXYMHSQDCGFI-OAHLLOKOSA-N 2 0 280.412 1.398 10 0 CDAERP c1ccc(C2CC[NH+](C[C@H]3CNCCO3)CC2)cc1 ZINC000662248608 414583115 /nfs/dbraw/zinc/58/31/15/414583115.db2.gz HLNZJMFDVLOALW-MRXNPFEDSA-N 2 0 260.381 1.854 10 0 CDAERP C[NH2+]CCC[NH2+][C@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000662310224 414631699 /nfs/dbraw/zinc/63/16/99/414631699.db2.gz IFXPVSRQZOGECK-KGLIPLIRSA-N 2 0 250.390 1.330 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000040673684 174372261 /nfs/dbraw/zinc/37/22/61/174372261.db2.gz JSMOELBZDZXAEU-CRWXNKLISA-N 2 0 265.401 1.118 10 0 CDAERP C[NH+](C)[C@@H](CN[C@H]1CCC[NH2+]C1)c1cccs1 ZINC000043324949 175006887 /nfs/dbraw/zinc/00/68/87/175006887.db2.gz PKUVCTFGVAWSIU-RYUDHWBXSA-N 2 0 253.415 1.692 10 0 CDAERP CCC[NH+]1CCN([C@H](c2ccccn2)[C@@H]([NH3+])CC)CC1 ZINC000043338837 175013291 /nfs/dbraw/zinc/01/32/91/175013291.db2.gz FBFSOXGEHGRCBR-HOCLYGCPSA-N 2 0 276.428 1.888 10 0 CDAERP CC(C)CNC(=O)[C@@H](C)[N@H+](CCC[NH3+])CC(C)C ZINC000043417288 175038277 /nfs/dbraw/zinc/03/82/77/175038277.db2.gz XYDUKSPZCSULLD-CYBMUJFWSA-N 2 0 257.422 1.454 10 0 CDAERP C[C@@H](C(=O)N1CCC[NH2+]CC1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000043559468 175065600 /nfs/dbraw/zinc/06/56/00/175065600.db2.gz NRCLQYPDFYABSJ-AVGNSLFASA-N 2 0 253.390 1.070 10 0 CDAERP CCOC(=O)C[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000043618135 175080283 /nfs/dbraw/zinc/08/02/83/175080283.db2.gz KUFZQRFNRKFFRN-VXGBXAGGSA-N 2 0 254.374 1.402 10 0 CDAERP CC[NH+]1CCN(C[C@@H]([NH2+]C)c2ccccc2C)CC1 ZINC000043805818 175107437 /nfs/dbraw/zinc/10/74/37/175107437.db2.gz UMFGIECZYMJHNN-MRXNPFEDSA-N 2 0 261.413 1.893 10 0 CDAERP CCC[NH2+][C@@H]1c2ccccc2C[C@@H]1N1CC[NH+](C)CC1 ZINC000043810996 175110574 /nfs/dbraw/zinc/11/05/74/175110574.db2.gz ZOFWRHKFLFSYMG-DLBZAZTESA-N 2 0 273.424 1.899 10 0 CDAERP C[NH2+][C@@H](c1ccccc1)[C@H](C)N1CCC[N@H+](C)CC1 ZINC000043818039 175112820 /nfs/dbraw/zinc/11/28/20/175112820.db2.gz ISYKBPCABAHLMV-GOEBONIOSA-N 2 0 261.413 1.973 10 0 CDAERP CC[NH2+][C@@H]1CCCC[C@H]1N1CC[NH+](C(C)C)CC1 ZINC000043897116 175119780 /nfs/dbraw/zinc/11/97/80/175119780.db2.gz CCVYXJRVABKVSA-HUUCEWRRSA-N 2 0 253.434 1.933 10 0 CDAERP Cc1cc(C)n2cc(C[NH+]3CCC(C[NH3+])CC3)nc2n1 ZINC000044513487 175188980 /nfs/dbraw/zinc/18/89/80/175188980.db2.gz CALORNNJUAOVES-UHFFFAOYSA-N 2 0 273.384 1.517 10 0 CDAERP CCC[NH2+]CC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000044650709 175224512 /nfs/dbraw/zinc/22/45/12/175224512.db2.gz CAJLLBSCSBORHF-UHFFFAOYSA-N 2 0 269.433 1.757 10 0 CDAERP CCC[C@@H](C[NH3+])C(=O)NC1CC[NH+](CCC)CC1 ZINC000044806437 175256448 /nfs/dbraw/zinc/25/64/48/175256448.db2.gz DUTAUZYOHBUMPG-LBPRGKRZSA-N 2 0 255.406 1.352 10 0 CDAERP CCCC(C[NH3+])(CCC)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044808490 175256914 /nfs/dbraw/zinc/25/69/14/175256914.db2.gz GGTABTLMVFZBNB-CYBMUJFWSA-N 2 0 281.444 1.885 10 0 CDAERP CCC(CC)(C[NH3+])C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000044995421 175287325 /nfs/dbraw/zinc/28/73/25/175287325.db2.gz OTHAPSHKGQVXMM-CYBMUJFWSA-N 2 0 269.433 1.742 10 0 CDAERP C[C@]([NH3+])(CCCC[NH+]1CCCCCCC1)C(N)=O ZINC000045371411 175364177 /nfs/dbraw/zinc/36/41/77/175364177.db2.gz DPCAHFUSVVRPSO-AWEZNQCLSA-N 2 0 255.406 1.626 10 0 CDAERP CC(C)C[N@H+](C)CCC[C@](C)([NH2+]C1CC1)C(N)=O ZINC000045381062 175370363 /nfs/dbraw/zinc/37/03/63/175370363.db2.gz WYQWLMALULXKER-AWEZNQCLSA-N 2 0 255.406 1.350 10 0 CDAERP CC(C)[NH2+][C@](C)(CCCN1CCC([NH+](C)C)CC1)C(N)=O ZINC000045392581 175375331 /nfs/dbraw/zinc/37/53/31/175375331.db2.gz BGUMLPSBAQIHHE-MRXNPFEDSA-N 2 0 298.475 1.035 10 0 CDAERP CC[NH2+][C@](C)(CCCCN1CCC([NH+](C)C)CC1)C(N)=O ZINC000045392469 175375381 /nfs/dbraw/zinc/37/53/81/175375381.db2.gz PHKSOSSHTOFEOE-MRXNPFEDSA-N 2 0 298.475 1.036 10 0 CDAERP CC[NH2+][C@](C)(CCC[N@H+](C)[C@@H](C)C1CC1)C(N)=O ZINC000045393029 175375688 /nfs/dbraw/zinc/37/56/88/175375688.db2.gz RYHLHRGRGPSEHD-SMDDNHRTSA-N 2 0 255.406 1.350 10 0 CDAERP CC[NH2+][C@](C)(CCC[NH+]1CCC(OCC)CC1)C(N)=O ZINC000045420150 175378679 /nfs/dbraw/zinc/37/86/79/175378679.db2.gz PFHSUOFKWYIDNQ-OAHLLOKOSA-N 2 0 285.432 1.121 10 0 CDAERP C[NH2+][C@@](C)(CCCC[N@H+](C)C[C@@H]1CCCCO1)C(N)=O ZINC000045421228 175379620 /nfs/dbraw/zinc/37/96/20/175379620.db2.gz WBMLGYMAOGNQAF-ZFWWWQNUSA-N 2 0 285.432 1.121 10 0 CDAERP CCC[NH2+][C@@H]1CCN([C@@H](C[NH+](C)C)C(C)C)C1=O ZINC000071034273 176024279 /nfs/dbraw/zinc/02/42/79/176024279.db2.gz FBBLWMYMHUKGIQ-OLZOCXBDSA-N 2 0 255.406 1.173 10 0 CDAERP CC[NH2+][C@H]1CCCN([C@@H]2CCC[N@H+](CC)C2)C1=O ZINC000071033625 176024410 /nfs/dbraw/zinc/02/44/10/176024410.db2.gz OSITYHSGXFJLFC-OLZOCXBDSA-N 2 0 253.390 1.071 10 0 CDAERP C[C@H](CCc1ccc(O)cc1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071148637 176044675 /nfs/dbraw/zinc/04/46/75/176044675.db2.gz BZMHLIWFLUXUKN-OAHLLOKOSA-N 2 0 291.439 1.550 10 0 CDAERP CC[C@@H]([NH3+])[C@H](c1cccnc1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188131 176062605 /nfs/dbraw/zinc/06/26/05/176062605.db2.gz CEROQTFVZXEZON-BMFZPTHFSA-N 2 0 276.428 1.744 10 0 CDAERP CCC[NH2+][C@@H]1CCC[C@@H]1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189020 176064290 /nfs/dbraw/zinc/06/42/90/176064290.db2.gz VEIJNGUMKDSNHV-KFWWJZLASA-N 2 0 253.434 1.791 10 0 CDAERP CCC1(C[N@H+](C)C[C@H]2CC[NH+](C)C2)CC[NH2+]CC1 ZINC000071190937 176069057 /nfs/dbraw/zinc/06/90/57/176069057.db2.gz WKDJOOHTRRGEJY-AWEZNQCLSA-N 3 0 253.434 1.650 10 0 CDAERP CC[NH2+]Cc1ccc(N(C)C[C@@H]2CC[N@H+](C)C2)nc1 ZINC000071191660 176071382 /nfs/dbraw/zinc/07/13/82/176071382.db2.gz UEMRGHJJCHGITB-CQSZACIVSA-N 2 0 262.401 1.579 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)c1cc(C[NH2+]C2CC2)ccn1 ZINC000071191721 176071516 /nfs/dbraw/zinc/07/15/16/176071516.db2.gz NWXNNFINVJHYEQ-CQSZACIVSA-N 2 0 274.412 1.722 10 0 CDAERP C[C@H]([NH2+]CCN(C)C[C@@H]1CC[N@H+](C)C1)[C@@H]1CCCO1 ZINC000071192384 176073907 /nfs/dbraw/zinc/07/39/07/176073907.db2.gz KZSXQCNIGDDQIA-ZNMIVQPWSA-N 2 0 269.433 1.027 10 0 CDAERP C[C@@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071193283 176075579 /nfs/dbraw/zinc/07/55/79/176075579.db2.gz UOCZHELNFIJMPE-AAVRWANBSA-N 2 0 267.417 1.160 10 0 CDAERP C[C@H](CN1CCC[C@H]([NH2+]C2CC2)C1)C[NH+]1CCCC1 ZINC000071200155 176077153 /nfs/dbraw/zinc/07/71/53/176077153.db2.gz PZOAVOXRHCMUIP-HOCLYGCPSA-N 2 0 265.445 1.935 10 0 CDAERP C[C@@H](CN1CCC[C@H]([NH2+]C2CC2)C1)C[NH+]1CCCC1 ZINC000071200156 176077259 /nfs/dbraw/zinc/07/72/59/176077259.db2.gz PZOAVOXRHCMUIP-ZBFHGGJFSA-N 2 0 265.445 1.935 10 0 CDAERP CC[NH+]1CCC([C@H](C)[NH2+]Cc2nccn2C)CC1 ZINC000071273168 176105297 /nfs/dbraw/zinc/10/52/97/176105297.db2.gz SZUPWGYYJRRKQL-LBPRGKRZSA-N 2 0 250.390 1.630 10 0 CDAERP C[NH2+]CCCCCC[N@H+](CCCOC)CCOC ZINC000071289279 176110326 /nfs/dbraw/zinc/11/03/26/176110326.db2.gz DZWQAOALMJUAOF-UHFFFAOYSA-N 2 0 260.422 1.751 10 0 CDAERP CC[C@@H](CNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH2+]CC=C(C)C ZINC001665879315 1173077785 /nfs/dbraw/zinc/07/77/85/1173077785.db2.gz NNNNPPNBLVUJLM-RDJZCZTQSA-N 2 0 293.455 1.923 10 0 CDAERP C[C@]1(C(=O)NCC[NH+]2CCCCCC2)CCC[NH2+]1 ZINC000079519416 177513827 /nfs/dbraw/zinc/51/38/27/177513827.db2.gz XKZIYFPLCWISQQ-CQSZACIVSA-N 2 0 253.390 1.121 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)N2CC[C@@](C)(C[NH3+])C2)CC1 ZINC000417908397 227147892 /nfs/dbraw/zinc/14/78/92/227147892.db2.gz BIGUAOJRKRCAJK-XUJLQICISA-N 2 0 296.459 1.487 10 0 CDAERP c1cnc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cn1 ZINC000390255882 262166997 /nfs/dbraw/zinc/16/69/97/262166997.db2.gz XKDASICNJMTZML-BZUAXINKSA-N 2 0 274.412 1.920 10 0 CDAERP CO[C@@H](C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)C1CCCCC1 ZINC000662272597 423826922 /nfs/dbraw/zinc/82/69/22/423826922.db2.gz GWTNQWKXCAPZHE-IRXDYDNUSA-N 2 0 295.471 1.561 10 0 CDAERP C[N@@H+](Cc1cccc(C(C)(C)C)c1)C[C@@H](O)C[NH3+] ZINC000662275454 423843261 /nfs/dbraw/zinc/84/32/61/423843261.db2.gz ANHQQTSPSKKMKS-AWEZNQCLSA-N 2 0 250.386 1.736 10 0 CDAERP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2C[C@@H](C(N)=O)C2)CC1 ZINC000651939717 423940849 /nfs/dbraw/zinc/94/08/49/423940849.db2.gz OGDJBDWBJCPIJP-LUYZLQTOSA-N 2 0 293.455 1.883 10 0 CDAERP c1cc(C[N@@H+]2CC[C@H]3COC[C@H]3C2)c2c(c1)C[NH2+]CC2 ZINC000662314666 423948213 /nfs/dbraw/zinc/94/82/13/423948213.db2.gz AJJAWEPYYHEIEQ-JKSUJKDBSA-N 2 0 272.392 1.801 10 0 CDAERP c1nc(NCC2CC[NH2+]CC2)cc(N2CCCC2)n1 ZINC000045948133 423891474 /nfs/dbraw/zinc/89/14/74/423891474.db2.gz HTMJFMUQZKZTLB-UHFFFAOYSA-N 2 0 261.373 1.488 10 0 CDAERP [NH3+]CC1(CCNC(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000652186443 424020987 /nfs/dbraw/zinc/02/09/87/424020987.db2.gz LDFSKLINRXUVHD-UHFFFAOYSA-N 2 0 294.443 1.432 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000652216674 424073801 /nfs/dbraw/zinc/07/38/01/424073801.db2.gz BXQPAHAGHSIUCC-HNNXBMFYSA-N 2 0 298.475 1.781 10 0 CDAERP C[N@@H+]1CCC[C@H](CCNC(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652199768 424046123 /nfs/dbraw/zinc/04/61/23/424046123.db2.gz BQKZAJLGBCQWIR-CYBMUJFWSA-N 2 0 282.432 1.147 10 0 CDAERP CC(C)[NH2+]C1CCN(C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652241333 424124636 /nfs/dbraw/zinc/12/46/36/424124636.db2.gz DUNPKHWUBAFPER-UHFFFAOYSA-N 2 0 282.432 1.287 10 0 CDAERP [NH3+]C1(CNC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)CCCCCC1 ZINC000653044815 424157233 /nfs/dbraw/zinc/15/72/33/424157233.db2.gz CWVAWHQFIBEDNF-KGLIPLIRSA-N 2 0 279.428 1.685 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@@H+](CCN2C[C@H](C)[NH+](CCO)C[C@@H]2C)C1 ZINC000660824999 424254458 /nfs/dbraw/zinc/25/44/58/424254458.db2.gz RTQVLYHFPWDRJS-YVSFHVDLSA-N 2 0 297.487 1.351 10 0 CDAERP COCC[NH2+]C1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000652344451 424275611 /nfs/dbraw/zinc/27/56/11/424275611.db2.gz HLZUWSDPLBBIFD-UHFFFAOYSA-N 2 0 283.460 1.467 10 0 CDAERP CN(C(=O)[C@@H]1CCC[NH2+]CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000653117324 424299112 /nfs/dbraw/zinc/29/91/12/424299112.db2.gz IPAJBISSIDVALY-TZMCWYRMSA-N 2 0 265.401 1.071 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653116661 424299651 /nfs/dbraw/zinc/29/96/51/424299651.db2.gz OLYMZUHCOOCUBR-KFWWJZLASA-N 2 0 281.444 1.755 10 0 CDAERP CCOCCC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652362828 424313467 /nfs/dbraw/zinc/31/34/67/424313467.db2.gz RAQNOQSQUSANQE-RBSFLKMASA-N 2 0 270.417 1.774 10 0 CDAERP CC(C)([NH3+])c1noc(CN2CC[C@@]3(CC3(F)F)C2)n1 ZINC000652364418 424316621 /nfs/dbraw/zinc/31/66/21/424316621.db2.gz OIIHTWWPIPASBQ-LLVKDONJSA-N 2 0 272.299 1.495 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)c2ccccc2CC[NH3+])CC[NH2+]1 ZINC000653136040 424348074 /nfs/dbraw/zinc/34/80/74/424348074.db2.gz YLGJIAGTIFXSRI-YPMHNXCESA-N 2 0 261.369 1.058 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662754237 424404651 /nfs/dbraw/zinc/40/46/51/424404651.db2.gz HVJOSVQWZKEJSR-MWLCHTKSSA-N 2 0 292.383 1.081 10 0 CDAERP O=C(NC1CC([NH+]2CCCCC2)C1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655469721 424415415 /nfs/dbraw/zinc/41/54/15/424415415.db2.gz YUEUOILDECQCED-NDTCATRNSA-N 2 0 291.439 1.509 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCC[C@@H]([NH3+])C(C)C)C1 ZINC000659621876 424417339 /nfs/dbraw/zinc/41/73/39/424417339.db2.gz CFHHCQQTTMODNO-HUUCEWRRSA-N 2 0 298.475 1.733 10 0 CDAERP C[NH+](C)CC(C)(C)NC(=O)Cc1cn2c(n1)CCCC2 ZINC000652428551 424426841 /nfs/dbraw/zinc/42/68/41/424426841.db2.gz SGWRGCOGIIRBOL-UHFFFAOYSA-N 2 0 278.400 1.218 10 0 CDAERP C[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1cnn(C)c1)[C@H]1CCC[NH2+]1 ZINC000665273126 424486572 /nfs/dbraw/zinc/48/65/72/424486572.db2.gz QFPMFTLKOTVJSB-XZDPQHSOSA-N 2 0 276.428 1.861 10 0 CDAERP CC(C)([NH3+])c1cc(C(=O)N2CC3CCC2(C[NH3+])CC3)on1 ZINC000662825488 424510540 /nfs/dbraw/zinc/51/05/40/424510540.db2.gz IXPLIQMERGOCRG-UHFFFAOYSA-N 2 0 292.383 1.212 10 0 CDAERP CC(C)[C@H](C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)[C@@H](C)[NH3+] ZINC000662973783 424580140 /nfs/dbraw/zinc/58/01/40/424580140.db2.gz WANNUEUQVNAFNQ-KFWWJZLASA-N 2 0 299.459 1.175 10 0 CDAERP CC(C)C[C@H]([NH3+])c1noc([C@]2(C(F)(F)F)CC[NH2+]C2)n1 ZINC000663155883 424662233 /nfs/dbraw/zinc/66/22/33/424662233.db2.gz RJOULGHZUUSMQF-KWQFWETISA-N 2 0 292.305 1.909 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC)C(C)C ZINC001667465155 1173272986 /nfs/dbraw/zinc/27/29/86/1173272986.db2.gz ULAOOWPYNVUOSW-KBPBESRZSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)[NH2+]CCCNC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000514721979 270405266 /nfs/dbraw/zinc/40/52/66/270405266.db2.gz IWNLXXQUBARHJW-ZDUSSCGKSA-N 2 0 292.427 1.894 10 0 CDAERP C(C[C@@H]1CCCOC1)[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000530206507 271150696 /nfs/dbraw/zinc/15/06/96/271150696.db2.gz AEMBZHLBUJMYBV-XUWVNRHRSA-N 2 0 282.428 1.550 10 0 CDAERP CCCC[NH2+]C[C@H](O)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001667820261 1173329025 /nfs/dbraw/zinc/32/90/25/1173329025.db2.gz HPZRALQAABJJST-AWEZNQCLSA-N 2 0 299.459 1.118 10 0 CDAERP CC[N@H+](CC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)C1CC1 ZINC000152355546 276080021 /nfs/dbraw/zinc/08/00/21/276080021.db2.gz GCEVMEBQLAXZFB-MRXNPFEDSA-N 2 0 293.455 1.948 10 0 CDAERP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CCCNC2=O)c1 ZINC000359528079 276334969 /nfs/dbraw/zinc/33/49/69/276334969.db2.gz YMWDAXGEVRPWNT-INIZCTEOSA-N 2 0 289.423 1.897 10 0 CDAERP CC[N@@H+]1CCC[C@H](N[C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000127998864 276375860 /nfs/dbraw/zinc/37/58/60/276375860.db2.gz ARVRHSQVVLRISB-QLFBSQMISA-N 2 0 251.418 1.687 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+][C@H]2CC[C@@H]2C2CCC2)CC1 ZINC000337993434 277032603 /nfs/dbraw/zinc/03/26/03/277032603.db2.gz HHEWOXGADZHVIQ-KGLIPLIRSA-N 2 0 252.402 1.611 10 0 CDAERP C[N@@H+]1CC[C@H](NC(=O)N2CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000417931774 277165849 /nfs/dbraw/zinc/16/58/49/277165849.db2.gz CMVOYNBEWZCBFT-GJZGRUSLSA-N 2 0 288.395 1.047 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3nc[nH]c3C2)[C@@H]2CCC[C@H]21 ZINC000353622660 277173312 /nfs/dbraw/zinc/17/33/12/277173312.db2.gz MKIHLGATCXFHJM-LMOYCYGVSA-N 2 0 274.412 1.729 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)CC[NH2+]CC1CCC1)[NH+](C)C ZINC001668278474 1173391047 /nfs/dbraw/zinc/39/10/47/1173391047.db2.gz GTVDHVYEOHPZIR-TZMCWYRMSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@H](F)CC[NH2+]CC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001668280098 1173391385 /nfs/dbraw/zinc/39/13/85/1173391385.db2.gz ZINLKZBYOXUBSI-STQMWFEESA-N 2 0 285.407 1.315 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H]1CC[NH2+]C[C@@H]1C)[NH+]1CCCCC1 ZINC000262803178 277873518 /nfs/dbraw/zinc/87/35/18/277873518.db2.gz ODHRECZMDDDJGX-SOUVJXGZSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)[C@H](Cn1cccn1)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000423397887 277902166 /nfs/dbraw/zinc/90/21/66/277902166.db2.gz ONVDXOFHSYPPEW-MJBXVCDLSA-N 2 0 250.390 1.495 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000354226429 278004407 /nfs/dbraw/zinc/00/44/07/278004407.db2.gz WDAIQRMMERPZGP-QWHCGFSZSA-N 2 0 279.428 1.460 10 0 CDAERP C[C@H](C(=O)N(C)C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194739831 278133395 /nfs/dbraw/zinc/13/33/95/278133395.db2.gz LGPRVTNPEDVDDP-CYBMUJFWSA-N 2 0 267.417 1.271 10 0 CDAERP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000418231627 278980951 /nfs/dbraw/zinc/98/09/51/278980951.db2.gz CEMXQZKYJILTCN-IHRRRGAJSA-N 2 0 284.448 1.532 10 0 CDAERP CC[N@H+](C)[C@H](C(=O)N[C@H]1CC[NH2+]C[C@H]1C)c1ccccc1 ZINC000262715333 279046414 /nfs/dbraw/zinc/04/64/14/279046414.db2.gz DLPGARSWIJOVQQ-KBMXLJTQSA-N 2 0 289.423 1.794 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](C[C@H]2COCCO2)CC1 ZINC000336802503 279092294 /nfs/dbraw/zinc/09/22/94/279092294.db2.gz UWBSUUSJJSNWJY-HNNXBMFYSA-N 2 0 270.417 1.456 10 0 CDAERP CC[NH+](CC)CCCN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000248998665 279096421 /nfs/dbraw/zinc/09/64/21/279096421.db2.gz IFIKOODFZPXWEO-CABCVRRESA-N 2 0 253.434 1.887 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000414756905 279180188 /nfs/dbraw/zinc/18/01/88/279180188.db2.gz RPTAHGZOLPLVQO-XUWVNRHRSA-N 2 0 283.460 1.543 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000335407656 279264106 /nfs/dbraw/zinc/26/41/06/279264106.db2.gz SSWGNIMUWDSEQL-CYBMUJFWSA-N 2 0 265.401 1.215 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000245391906 279322439 /nfs/dbraw/zinc/32/24/39/279322439.db2.gz SCIDFHXLAMMVGG-AVGNSLFASA-N 2 0 253.390 1.104 10 0 CDAERP CCCC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001668381676 1173406388 /nfs/dbraw/zinc/40/63/88/1173406388.db2.gz GAGDKWQGFLDMJC-ZDUSSCGKSA-N 2 0 255.406 1.319 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CCC[C@H](C)C2)C1 ZINC000194146033 280025585 /nfs/dbraw/zinc/02/55/85/280025585.db2.gz LIJRIMFMLMWJAX-LSDHHAIUSA-N 2 0 296.459 1.502 10 0 CDAERP CCCCOC[C@H](O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000248647987 280370792 /nfs/dbraw/zinc/37/07/92/280370792.db2.gz JBDGGOFPLFVZGL-HZPDHXFCSA-N 2 0 286.460 1.970 10 0 CDAERP CC(C)C[C@@H]([NH3+])c1noc(-c2cn(CCCC[NH3+])nn2)n1 ZINC000516289919 280931787 /nfs/dbraw/zinc/93/17/87/280931787.db2.gz HVCKLNKVMPUYMT-SNVBAGLBSA-N 2 0 293.375 1.113 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC[C@@H]1CCC[NH2+]C1 ZINC000094460810 288305734 /nfs/dbraw/zinc/30/57/34/288305734.db2.gz UZXDSKLBWBFROS-QLFBSQMISA-N 2 0 251.418 1.545 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000418346740 288322242 /nfs/dbraw/zinc/32/22/42/288322242.db2.gz COXCOVIFOQPGAF-XBFCOCLRSA-N 2 0 282.432 1.191 10 0 CDAERP C[NH+](C)CC1(CNC(=O)N2CC[C@@H]([NH+](C)C)C2)CCCC1 ZINC000185170385 282068586 /nfs/dbraw/zinc/06/85/86/282068586.db2.gz WPRNKOFTALLGGJ-CQSZACIVSA-N 2 0 296.459 1.454 10 0 CDAERP C[NH+](C)[C@H]1CCN(C(=O)[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000261563296 289384077 /nfs/dbraw/zinc/38/40/77/289384077.db2.gz ANPSJKKISZUXQQ-KBPBESRZSA-N 2 0 267.417 1.447 10 0 CDAERP CN(CCC(=O)NC1(C[NH+](C)C)CCC1)c1cc[nH+]cc1 ZINC000546697972 289744095 /nfs/dbraw/zinc/74/40/95/289744095.db2.gz QQVJTMKFLKKMEQ-UHFFFAOYSA-N 2 0 290.411 1.508 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+][C@H]2CC[C@H]2C2CCC2)CC1 ZINC000337993432 289889362 /nfs/dbraw/zinc/88/93/62/289889362.db2.gz HHEWOXGADZHVIQ-KBPBESRZSA-N 2 0 252.402 1.611 10 0 CDAERP C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000560888446 293039547 /nfs/dbraw/zinc/03/95/47/293039547.db2.gz QKCZRVBBQBTRKX-OAGGEKHMSA-N 2 0 283.460 1.011 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000422878432 293096064 /nfs/dbraw/zinc/09/60/64/293096064.db2.gz JDKQZLAFVOTJLE-OAGGEKHMSA-N 3 0 285.476 1.698 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H](C)C(C)(C)C)CC1 ZINC000565053082 293509437 /nfs/dbraw/zinc/50/94/37/293509437.db2.gz VZOFORDZKWQFCU-CYBMUJFWSA-N 2 0 283.460 2.000 10 0 CDAERP C[C@@H](CC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)C1CC[NH2+]CC1 ZINC000565479665 293620145 /nfs/dbraw/zinc/62/01/45/293620145.db2.gz HGGJJODDSOFFAV-CWRNSKLLSA-N 2 0 293.455 1.470 10 0 CDAERP [NH3+]C[C@H](C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000569241076 294180648 /nfs/dbraw/zinc/18/06/48/294180648.db2.gz JZKRWZPPGVAJGS-HONMWMINSA-N 2 0 279.359 1.112 10 0 CDAERP C[C@@H](CCCC[NH3+])NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000570841694 294321040 /nfs/dbraw/zinc/32/10/40/294321040.db2.gz LSZXJCGYIZQPNZ-KBPBESRZSA-N 2 0 269.433 1.885 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)CC1(F)CC1 ZINC000570856433 294323246 /nfs/dbraw/zinc/32/32/46/294323246.db2.gz AJSBKKCPWJMHQB-AWEZNQCLSA-N 2 0 271.424 1.836 10 0 CDAERP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000571047625 294359059 /nfs/dbraw/zinc/35/90/59/294359059.db2.gz FPMJFOLZCISDDU-VXGBXAGGSA-N 2 0 276.384 1.347 10 0 CDAERP C[NH+]1CCN(C[C@H](O)C[NH2+]C2CCC(C)(C)CC2)CC1 ZINC000572993034 294732896 /nfs/dbraw/zinc/73/28/96/294732896.db2.gz LABDZKIRKWZRRI-OAHLLOKOSA-N 2 0 283.460 1.153 10 0 CDAERP CC(C)C[C@@H](C[NH3+])NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000573584181 294848041 /nfs/dbraw/zinc/84/80/41/294848041.db2.gz XLRACNQZOPTIBH-DZGCQCFKSA-N 2 0 282.432 1.145 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000574818993 295059396 /nfs/dbraw/zinc/05/93/96/295059396.db2.gz VDAQRYUUONXKMS-OKILXGFUSA-N 2 0 273.380 1.154 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@](C)([NH3+])c1ccccc1 ZINC000094460212 297095609 /nfs/dbraw/zinc/09/56/09/297095609.db2.gz XADBYQSQLSHMMC-FRFSOERESA-N 2 0 287.407 1.556 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000417932066 297106373 /nfs/dbraw/zinc/10/63/73/297106373.db2.gz MAAZHHCIAQJUKW-URGYJCLVSA-N 2 0 296.459 1.404 10 0 CDAERP C[C@H](C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000312964018 298078202 /nfs/dbraw/zinc/07/82/02/298078202.db2.gz UJPLDDXGAGWRKV-KHMAMNHCSA-N 2 0 279.428 1.316 10 0 CDAERP C[C@H](CCCC[NH3+])NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000417782978 298387691 /nfs/dbraw/zinc/38/76/91/298387691.db2.gz GQBJSRIUPRLQBY-FFHGMXDLSA-N 2 0 296.459 1.818 10 0 CDAERP [NH3+][C@H]1CCC[C@@H](C(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000334492177 303483783 /nfs/dbraw/zinc/48/37/83/303483783.db2.gz HHSPYTDIQQFWJA-KGLIPLIRSA-N 2 0 279.428 1.496 10 0 CDAERP CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001669867575 1173620932 /nfs/dbraw/zinc/62/09/32/1173620932.db2.gz GTNHVMQNYSVCML-AVGNSLFASA-N 2 0 255.406 1.173 10 0 CDAERP Nc1cc[nH+]cc1C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000566252987 316530685 /nfs/dbraw/zinc/53/06/85/316530685.db2.gz PHVFVRJTNGXHDQ-UHFFFAOYSA-N 2 0 274.368 1.100 10 0 CDAERP CC(C)S(=O)(=O)CCCN1CC[C@H]([NH3+])C[C@@H]1C ZINC000576288701 317111731 /nfs/dbraw/zinc/11/17/31/317111731.db2.gz ADAJFRRKRYHVKU-RYUDHWBXSA-N 2 0 262.419 1.011 10 0 CDAERP Cc1oncc1C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000181689490 323242600 /nfs/dbraw/zinc/24/26/00/323242600.db2.gz UYKALXZJJWEWGF-GFCCVEGCSA-N 2 0 281.400 1.508 10 0 CDAERP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NCC1CC[NH2+]CC1 ZINC000579343337 324160068 /nfs/dbraw/zinc/16/00/68/324160068.db2.gz PIDIMJDYUVXISW-ZIAGYGMSSA-N 2 0 267.417 1.400 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)CC2(C[NH3+])CC2)CC[N@@H+]1C ZINC000579953884 324325384 /nfs/dbraw/zinc/32/53/84/324325384.db2.gz QSIWAKYSZLXBJZ-VXGBXAGGSA-N 2 0 253.390 1.057 10 0 CDAERP C[NH2+][C@@H](C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000580345492 324443267 /nfs/dbraw/zinc/44/32/67/324443267.db2.gz KIBSOTOSOJBFLP-AWEZNQCLSA-N 2 0 289.423 1.897 10 0 CDAERP CCCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001698947889 1159158703 /nfs/dbraw/zinc/15/87/03/1159158703.db2.gz BJSFXKNDBCAEDZ-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CCCF ZINC001267819733 1159605796 /nfs/dbraw/zinc/60/57/96/1159605796.db2.gz HMHCIVSMVPPLHU-OLZOCXBDSA-N 2 0 273.396 1.172 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001270128478 1160091981 /nfs/dbraw/zinc/09/19/81/1160091981.db2.gz HJJGPYVHAIJEFR-ZFWWWQNUSA-N 2 0 299.434 1.657 10 0 CDAERP C[C@H](CNC(=O)CC1([NH3+])CC1)[N@H+](C)Cc1ccccc1 ZINC000398048576 482220738 /nfs/dbraw/zinc/22/07/38/482220738.db2.gz VARRRWYXTIAFQX-CYBMUJFWSA-N 2 0 275.396 1.505 10 0 CDAERP COC[C@@H](C)C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000668782412 482310713 /nfs/dbraw/zinc/31/07/13/482310713.db2.gz CVZZUUSADJKIED-ZDUSSCGKSA-N 2 0 254.418 1.981 10 0 CDAERP C[C@@H](CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@H]1CCCO1 ZINC000668302765 482363138 /nfs/dbraw/zinc/36/31/38/482363138.db2.gz PATCIGMBVFPSOF-LSDHHAIUSA-N 2 0 299.459 1.143 10 0 CDAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@H]1CCC1(C)C ZINC000668302492 482363205 /nfs/dbraw/zinc/36/32/05/482363205.db2.gz IQGMEXDWADNYDD-CYBMUJFWSA-N 2 0 269.433 1.374 10 0 CDAERP O=C(N1CC[C@H]([NH+]2CCCC2)C1)C1([NH2+]C2CC2)CCC1 ZINC000662708210 482423625 /nfs/dbraw/zinc/42/36/25/482423625.db2.gz KIIFNRYDMCWEHN-AWEZNQCLSA-N 2 0 277.412 1.358 10 0 CDAERP CC(C)[C@@H]1CCN1C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000665760210 482444819 /nfs/dbraw/zinc/44/48/19/482444819.db2.gz CFHDKIOKNQYSQX-GJZGRUSLSA-N 2 0 298.475 1.698 10 0 CDAERP C[C@@H](CNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[NH+](C)C ZINC000652616895 482470412 /nfs/dbraw/zinc/47/04/12/482470412.db2.gz GDNMPJVRRIGVTD-NSHDSACASA-N 2 0 288.355 1.339 10 0 CDAERP CN(CCC[N@H+](C)C[C@@H]1C[C@H]2C[C@H]2C1)CC[NH+](C)C ZINC000660561285 482494256 /nfs/dbraw/zinc/49/42/56/482494256.db2.gz RBQQMOFJPFGBPO-MUJYYYPQSA-N 2 0 267.461 1.848 10 0 CDAERP [NH3+][C@H]1CC[C@H](C(=O)NCC[NH+]2CCCCCC2)C1 ZINC000091544689 482570978 /nfs/dbraw/zinc/57/09/78/482570978.db2.gz WKDIWNCPEIUSBZ-STQMWFEESA-N 2 0 253.390 1.106 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000417524951 482594305 /nfs/dbraw/zinc/59/43/05/482594305.db2.gz AGSBAAKESFXZTI-BARDWOONSA-N 2 0 296.459 1.818 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000672876883 482627717 /nfs/dbraw/zinc/62/77/17/482627717.db2.gz KMAKHUPIDXHPNO-HZPDHXFCSA-N 2 0 293.455 1.851 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)NC/C=C/C[NH3+])c1ccsc1 ZINC000669300973 482674858 /nfs/dbraw/zinc/67/48/58/482674858.db2.gz LRLXRAFGNDJEOI-AAOUONPWSA-N 2 0 282.413 1.165 10 0 CDAERP C[C@H]([NH2+]C[C@H](O)CN(C)Cc1ccccc1)[C@H]1CCOC1 ZINC000681220850 482748903 /nfs/dbraw/zinc/74/89/03/482748903.db2.gz JEEIYANOCULTLL-XIRDDKMYSA-N 2 0 292.423 1.494 10 0 CDAERP Cc1ccccc1[C@H]([NH3+])C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334621780 482749251 /nfs/dbraw/zinc/74/92/51/482749251.db2.gz IFAFILJOAHLMNF-DOTOQJQBSA-N 2 0 287.407 1.597 10 0 CDAERP COC[C@H](CC1CCOCC1)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000657876850 482908443 /nfs/dbraw/zinc/90/84/43/482908443.db2.gz OELZDDJTDQLWAV-CVEARBPZSA-N 2 0 284.444 1.750 10 0 CDAERP CN(C(=O)N[C@H]1CCC[NH+](C)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000672754126 482932075 /nfs/dbraw/zinc/93/20/75/482932075.db2.gz QBQHATNGZBAXCX-RDGKXADDSA-N 2 0 294.443 1.347 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000666853066 482950817 /nfs/dbraw/zinc/95/08/17/482950817.db2.gz BJMXEKLDEXLKEV-GJZGRUSLSA-N 3 0 285.395 1.935 10 0 CDAERP CC[NH+](CC)[C@H](CNC(=O)NC/C=C\C[NH3+])c1ccco1 ZINC000669418806 483022077 /nfs/dbraw/zinc/02/20/77/483022077.db2.gz NJMKEXVHLPAASK-CFHLNLSMSA-N 2 0 294.399 1.477 10 0 CDAERP C[NH+](C)CCOc1ccc(CN[C@H]2CCCC[NH2+]C2)cc1 ZINC000666992533 483037638 /nfs/dbraw/zinc/03/76/38/483037638.db2.gz XPSBZVBYHYRUDL-INIZCTEOSA-N 2 0 291.439 1.859 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000251868833 483084600 /nfs/dbraw/zinc/08/46/00/483084600.db2.gz TWMGQTYDOMZBHJ-TUVASFSCSA-N 2 0 279.428 1.447 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)NCCC1CC[NH+](C)CC1 ZINC000229944288 483247343 /nfs/dbraw/zinc/24/73/43/483247343.db2.gz AIWWQHUNBABDTM-CYBMUJFWSA-N 2 0 255.406 1.208 10 0 CDAERP C[NH+](C)C[C@H](NC(=O)CC(C)(C)[NH3+])c1ccccc1 ZINC000084184091 483264987 /nfs/dbraw/zinc/26/49/87/483264987.db2.gz VOPTUFOCEJRVSD-ZDUSSCGKSA-N 2 0 263.385 1.533 10 0 CDAERP [NH3+]C/C=C/CNC(=O)NCCCCC[NH+]1CCCCC1 ZINC000669491625 483282293 /nfs/dbraw/zinc/28/22/93/483282293.db2.gz PFAAGACTPIGEST-HWKANZROSA-N 2 0 282.432 1.457 10 0 CDAERP CN(Cc1cn(C2CCC2)nn1)CC1CC[NH+](C)CC1 ZINC000667597773 483345302 /nfs/dbraw/zinc/34/53/02/483345302.db2.gz ZSYMNUYUMXYWAC-UHFFFAOYSA-N 2 0 277.416 1.777 10 0 CDAERP O=c1[nH]c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)nc2ccccc21 ZINC000320751683 483417974 /nfs/dbraw/zinc/41/79/74/483417974.db2.gz UVGIUSSYOVCFKC-BETUJISGSA-N 2 0 298.390 1.767 10 0 CDAERP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667777084 483420162 /nfs/dbraw/zinc/42/01/62/483420162.db2.gz NJEVSTZNDBGHDN-HUUCEWRRSA-N 2 0 281.444 1.170 10 0 CDAERP COC[C@H](C)C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000683363349 483497199 /nfs/dbraw/zinc/49/71/99/483497199.db2.gz OSLGGVMVZAZFQG-ZIAGYGMSSA-N 2 0 258.406 1.359 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC[NH+](C)C2)[C@H](C)C1 ZINC000676539544 483525180 /nfs/dbraw/zinc/52/51/80/483525180.db2.gz BKBMSUXJZNOFIA-KFWWJZLASA-N 2 0 296.459 1.452 10 0 CDAERP CC/C=C\CC[NH2+]CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001691556578 1160700491 /nfs/dbraw/zinc/70/04/91/1160700491.db2.gz VSDLQXGDLMVTAW-IYKSTZQJSA-N 2 0 281.444 1.733 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[C@H]3C[NH+](C)C[C@H]32)C1 ZINC001649285475 1160729899 /nfs/dbraw/zinc/72/98/99/1160729899.db2.gz ALPYLUADFRYLES-BYNSBNAKSA-N 2 0 294.443 1.110 10 0 CDAERP CC(C)[N@H+](C)CCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000052419611 519626850 /nfs/dbraw/zinc/62/68/50/519626850.db2.gz IDXUBDLCYBSHPZ-UHFFFAOYSA-N 2 0 253.394 1.506 10 0 CDAERP CC(C)C[NH2+]Cc1cn(CC[N@@H+]2CCC[C@@H]2C)nn1 ZINC000052375934 519748183 /nfs/dbraw/zinc/74/81/83/519748183.db2.gz SWTNRDHQWQTELU-ZDUSSCGKSA-N 2 0 265.405 1.508 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CCC1CC1)C1CC1 ZINC001483580844 1160949994 /nfs/dbraw/zinc/94/99/94/1160949994.db2.gz GZOBDLYIQLGZCB-CVEARBPZSA-N 2 0 293.455 1.755 10 0 CDAERP CC[NH2+]CC1(C[N@H+](CC)C[C@H]2CCCO2)CCOCC1 ZINC000052182535 519912638 /nfs/dbraw/zinc/91/26/38/519912638.db2.gz YKYQKKGHUCBUPA-OAHLLOKOSA-N 2 0 284.444 1.894 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCc2cn[nH]c2)[C@H](C)C1 ZINC000459377985 1161159456 /nfs/dbraw/zinc/15/94/56/1161159456.db2.gz NTXAPSALVLIGSU-OCCSQVGLSA-N 2 0 250.390 1.614 10 0 CDAERP CC[NH2+][C@](C)(C[C@@H](C)N(C)C1CC[NH+](CC)CC1)C(N)=O ZINC000068635123 520234207 /nfs/dbraw/zinc/23/42/07/520234207.db2.gz INFQRFLUEMWITI-CZUORRHYSA-N 2 0 298.475 1.035 10 0 CDAERP CCO[C@H](C[NH3+])CC[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000062740922 520515980 /nfs/dbraw/zinc/51/59/80/520515980.db2.gz DJBRLRCPVRZMCP-LSDHHAIUSA-N 2 0 263.385 1.972 10 0 CDAERP CCC(CC)[N@H+](CCOC)CC1(C[NH3+])CCOCC1 ZINC000052197807 521558931 /nfs/dbraw/zinc/55/89/31/521558931.db2.gz XBIPEGHAPVSKTA-UHFFFAOYSA-N 2 0 272.433 1.879 10 0 CDAERP CCSCC[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000363473137 521706628 /nfs/dbraw/zinc/70/66/28/521706628.db2.gz YOAORZNSZZLDCV-UHFFFAOYSA-N 2 0 285.501 1.699 10 0 CDAERP C[NH2+]CC1(CN2CC[NH+](C(C)(C)C)CC2)CCOCC1 ZINC000052197621 521968066 /nfs/dbraw/zinc/96/80/66/521968066.db2.gz ZAYHHWVWFIOPAS-UHFFFAOYSA-N 2 0 283.460 1.419 10 0 CDAERP C[NH2+]Cc1nc(CN2CCC[C@@H]2C[NH+](C)C)cs1 ZINC000061654723 522152241 /nfs/dbraw/zinc/15/22/41/522152241.db2.gz RDYYBKROCPSQQN-GFCCVEGCSA-N 2 0 268.430 1.389 10 0 CDAERP C[NH2+][C@@H]1CC[C@H](C)C[C@H]1N1CCC[C@@H]1C[NH+](C)C ZINC000061643411 522398530 /nfs/dbraw/zinc/39/85/30/522398530.db2.gz OTXPEKGDFRBDMX-GBJTYRQASA-N 2 0 253.434 1.789 10 0 CDAERP CC(C)(C)[NH2+]C[C@@H]1CC[C@@H](C[NH+]2CCN(C3CC3)CC2)O1 ZINC000052371406 518761545 /nfs/dbraw/zinc/76/15/45/518761545.db2.gz JVUCWMGSTDJABJ-HOTGVXAUSA-N 2 0 295.471 1.702 10 0 CDAERP CC(C)(C)[NH2+]Cc1cn(CC[NH+]2CCSCC2)nn1 ZINC000052425626 518766351 /nfs/dbraw/zinc/76/63/51/518766351.db2.gz VZMAVYGKPKPPPH-UHFFFAOYSA-N 2 0 283.445 1.215 10 0 CDAERP CC(C)[NH+]1CCC(C[NH3+])(N(C)Cc2ccoc2)CC1 ZINC000048909984 519669673 /nfs/dbraw/zinc/66/96/73/519669673.db2.gz WPNXSFVWFAMKMK-UHFFFAOYSA-N 2 0 265.401 1.913 10 0 CDAERP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](C)c2cn[nH]c2)CC1 ZINC000337328632 519682201 /nfs/dbraw/zinc/68/22/01/519682201.db2.gz YZRBDOBUHFLMFF-AWEZNQCLSA-N 2 0 279.432 1.476 10 0 CDAERP CC(C)[NH+]1CCN(Cc2[nH+]c(NN)ccc2Cl)CC1 ZINC000061630979 519682808 /nfs/dbraw/zinc/68/28/08/519682808.db2.gz FIXTZKQDGVMFDU-UHFFFAOYSA-N 2 0 283.807 1.547 10 0 CDAERP CC(C)[NH+]1CCN([C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000069265943 519682943 /nfs/dbraw/zinc/68/29/43/519682943.db2.gz PBYUFGRDIKQHAS-MRXNPFEDSA-N 2 0 259.397 1.857 10 0 CDAERP CC(C)C[NH+]1CCN(CC[NH2+]C[C@@H]2CCCO2)CC1 ZINC000055076125 519725953 /nfs/dbraw/zinc/72/59/53/519725953.db2.gz QKDKOCUZKTWPDN-HNNXBMFYSA-N 2 0 269.433 1.029 10 0 CDAERP CC(C)C[NH+]1CCN([C@@H](c2ccco2)[C@@H](C)[NH3+])CC1 ZINC000055077225 519727397 /nfs/dbraw/zinc/72/73/97/519727397.db2.gz XCYHXLNIGPHXBY-UKRRQHHQSA-N 2 0 265.401 1.942 10 0 CDAERP CC(C)C[NH+]1CCN(c2nc3c(cc2C[NH3+])CCC3)CC1 ZINC000055076834 519729075 /nfs/dbraw/zinc/72/90/75/519729075.db2.gz RJHALRFIMBCRNJ-UHFFFAOYSA-N 2 0 288.439 1.807 10 0 CDAERP CC(C)[NH2+][C@](C)(CO)C[C@H](C)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000070336440 519739629 /nfs/dbraw/zinc/73/96/29/519739629.db2.gz ONBQPKYDPMCRLV-ULQDDVLXSA-N 2 0 297.487 1.684 10 0 CDAERP CC(C)[NH2+][C@](C)(C[C@H](C)N1CCC([NH+](C)C)CC1)C(N)=O ZINC000068625380 519739994 /nfs/dbraw/zinc/73/99/94/519739994.db2.gz IVAFEPUNSYQYCE-XJKSGUPXSA-N 2 0 298.475 1.033 10 0 CDAERP CC(C)C[NH2+]CC1(C[N@@H+]2CCC[C@H](CO)C2)CCOCC1 ZINC000052180500 519742980 /nfs/dbraw/zinc/74/29/80/519742980.db2.gz GPDLYKBIXPRZMJ-INIZCTEOSA-N 2 0 298.471 1.733 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CC[C@@H](COCC[NH+](C)C)O1 ZINC000052669885 519745440 /nfs/dbraw/zinc/74/54/40/519745440.db2.gz WPHNEDGTDJGYAN-KBPBESRZSA-N 2 0 258.406 1.358 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[C@H](C)[NH2+]2)CC1 ZINC000049560223 519845885 /nfs/dbraw/zinc/84/58/85/519845885.db2.gz NSUHFVDYUXEKNX-JSGCOSHPSA-N 2 0 267.417 1.508 10 0 CDAERP CCC[NH2+]C[C@@H](C)C[N@H+](CCOC)[C@@H](C)COC ZINC000052572294 519919918 /nfs/dbraw/zinc/91/99/18/519919918.db2.gz VFOMFMWRYAJGSM-KGLIPLIRSA-N 2 0 260.422 1.605 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000061232434 519937370 /nfs/dbraw/zinc/93/73/70/519937370.db2.gz PISXXWDZORMLQR-GDBMZVCRSA-N 2 0 289.423 1.623 10 0 CDAERP CCC[NH2+]C[C@]1(CN2CC[NH+](CC(C)C)CC2)CCOC1 ZINC000055081719 519940988 /nfs/dbraw/zinc/94/09/88/519940988.db2.gz WFIUHQOGBAWRRE-KRWDZBQOSA-N 2 0 297.487 1.666 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@H](COCC[C@@H]2CCC[N@@H+]2C)O1 ZINC000052673623 519956224 /nfs/dbraw/zinc/95/62/24/519956224.db2.gz KLICWLGUOGZLSZ-SOUVJXGZSA-N 2 0 270.417 1.644 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000061235517 519960294 /nfs/dbraw/zinc/96/02/94/519960294.db2.gz ALRCEALUKTYWBU-HNNXBMFYSA-N 2 0 291.439 1.822 10 0 CDAERP CCC[NH2+][C@@H]1CCC[C@H]1N1CCC[C@@H]1C[NH+](C)C ZINC000061643740 520022138 /nfs/dbraw/zinc/02/21/38/520022138.db2.gz BGWOZFSUKVXXLQ-RBSFLKMASA-N 2 0 253.434 1.933 10 0 CDAERP CCC[NH2+][C@@H]1CCOC[C@H]1N1CC[NH+](CC(C)C)CC1 ZINC000055079410 520024184 /nfs/dbraw/zinc/02/41/84/520024184.db2.gz IDDOUKGGHMHGCU-HZPDHXFCSA-N 2 0 283.460 1.417 10 0 CDAERP CC[NH2+]Cc1occc1C[N@H+](CCOC)C1CC1 ZINC000052542432 520030996 /nfs/dbraw/zinc/03/09/96/520030996.db2.gz XHEFJTNEXNUKJD-UHFFFAOYSA-N 2 0 252.358 2.000 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)NCCCC[N@H+](C)C(C)C ZINC000061274498 520063362 /nfs/dbraw/zinc/06/33/62/520063362.db2.gz JPMRLCMZCKCYLO-ZDUSSCGKSA-N 2 0 257.422 1.611 10 0 CDAERP CCO[C@H](C[NH3+])CC[N@H+](C)Cc1ccc(OC)cc1 ZINC000062741008 520515835 /nfs/dbraw/zinc/51/58/35/520515835.db2.gz GGRCDDNRCVUWEZ-HNNXBMFYSA-N 2 0 266.385 1.881 10 0 CDAERP CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc[nH+]c(NN)c1 ZINC000051092233 520628388 /nfs/dbraw/zinc/62/83/88/520628388.db2.gz DXRVTKIVTDMXMX-GFCCVEGCSA-N 2 0 293.415 1.608 10 0 CDAERP CC[NH+](CC)CCNC(=O)[C@@H]1CCC[C@H](CC[NH3+])C1 ZINC000055145561 520678147 /nfs/dbraw/zinc/67/81/47/520678147.db2.gz YOWFEMBOQWMWTH-ZIAGYGMSSA-N 2 0 269.433 1.600 10 0 CDAERP CC1CC[NH+](CCNC(=O)[C@@H]2C[C@@H]([NH3+])CC[C@@H]2C)CC1 ZINC000055136670 521012873 /nfs/dbraw/zinc/01/28/73/521012873.db2.gz PMXCHRABTJOCJJ-SOUVJXGZSA-N 2 0 281.444 1.598 10 0 CDAERP CC1CC[NH+](CCNC(=O)[C@@H]2[C@@H](C)CCC[C@@H]2[NH3+])CC1 ZINC000055136676 521013598 /nfs/dbraw/zinc/01/35/98/521013598.db2.gz GXWRABSEWPPLRS-SOUVJXGZSA-N 2 0 281.444 1.598 10 0 CDAERP CC1CC[NH+](CCNC(=O)[C@@H]2CCC[C@@H](C)[C@@H]2[NH3+])CC1 ZINC000055136663 521013771 /nfs/dbraw/zinc/01/37/71/521013771.db2.gz PNYZZSUTPKMILO-KFWWJZLASA-N 2 0 281.444 1.598 10 0 CDAERP CC[N@H+](CCC[C@@](C)([NH2+]C(C)C)C(N)=O)CC1CC1 ZINC000069239594 521043242 /nfs/dbraw/zinc/04/32/42/521043242.db2.gz PSTUKXKGPKFZSZ-OAHLLOKOSA-N 2 0 269.433 1.741 10 0 CDAERP CCC[C@H]1CC[C@H]([NH3+])[C@H](N2CCN(CC[NH+](C)C)CC2)C1 ZINC000061643858 521211598 /nfs/dbraw/zinc/21/15/98/521211598.db2.gz FTCVRYLHZNFTJN-YESZJQIVSA-N 2 0 296.503 1.462 10 0 CDAERP CCC[C@H]1CC[C@H](O)[C@H]([NH+]2CCN(CC[NH+](C)C)CC2)C1 ZINC000061652696 521212961 /nfs/dbraw/zinc/21/29/61/521212961.db2.gz CXNSPQXYRFDWRO-BBWFWOEESA-N 2 0 297.487 1.495 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000236852368 521548109 /nfs/dbraw/zinc/54/81/09/521548109.db2.gz RFLQKVIISDUJJQ-GJZGRUSLSA-N 2 0 281.444 1.742 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)CCC2CC[NH2+]CC2)C1 ZINC000050949649 521643190 /nfs/dbraw/zinc/64/31/90/521643190.db2.gz FJXGWFQCTNEYES-AWEZNQCLSA-N 2 0 267.417 1.367 10 0 CDAERP CC[NH+]1CCN(Cc2occc2C[NH2+]C(C)C)CC1 ZINC000052422304 521689696 /nfs/dbraw/zinc/68/96/96/521689696.db2.gz GDUTUUCYEZHEGU-UHFFFAOYSA-N 2 0 265.401 1.915 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1[C@@H](C[NH3+])c1ccc(F)c(F)c1 ZINC000061643081 521844052 /nfs/dbraw/zinc/84/40/52/521844052.db2.gz COCPESQSUNJTTP-WFASDCNBSA-N 2 0 283.366 1.991 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1CC[NH2+]Cc1cccnc1 ZINC000061655201 521868509 /nfs/dbraw/zinc/86/85/09/521868509.db2.gz GRFDAOQDMZXSGH-OAHLLOKOSA-N 2 0 262.401 1.197 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1c1ccc(C[NH2+]C2CC2)nn1 ZINC000061654245 521874325 /nfs/dbraw/zinc/87/43/25/521874325.db2.gz PEIUYMMNJHTKQJ-CQSZACIVSA-N 2 0 275.400 1.259 10 0 CDAERP C[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)Cc2ccsc2)O1 ZINC000052457372 522058344 /nfs/dbraw/zinc/05/83/44/522058344.db2.gz NVRABTRWSSSEGM-STQMWFEESA-N 2 0 254.399 1.947 10 0 CDAERP C[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)CCc2ccccn2)O1 ZINC000052423951 522058594 /nfs/dbraw/zinc/05/85/94/522058594.db2.gz UHKUQYXLIHEQJS-LSDHHAIUSA-N 2 0 263.385 1.323 10 0 CDAERP C[NH2+]Cc1cc(C[N@H+](C)C2CCOCC2)oc1C ZINC000052481154 522102825 /nfs/dbraw/zinc/10/28/25/522102825.db2.gz VREHXPSYHMSFAI-UHFFFAOYSA-N 2 0 252.358 1.918 10 0 CDAERP C[NH2+]Cc1cccc(CN(C)CC[NH+]2CCCC2)c1 ZINC000063053993 522128873 /nfs/dbraw/zinc/12/88/73/522128873.db2.gz VONQLDFIQSLPAO-UHFFFAOYSA-N 2 0 261.413 1.934 10 0 CDAERP C[NH2+]Cc1ccccc1OCC[N@H+](C)[C@@H](C)COC ZINC000052511614 522138496 /nfs/dbraw/zinc/13/84/96/522138496.db2.gz NHBSBOLASISCLC-ZDUSSCGKSA-N 2 0 266.385 1.752 10 0 CDAERP C[N@H+](C[C@@H](O)CC1CCCC1)C[C@H]1CC[NH+](C)C1 ZINC000300072272 523011458 /nfs/dbraw/zinc/01/14/58/523011458.db2.gz LTQOBVYYFOMLAA-GJZGRUSLSA-N 2 0 254.418 1.811 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)[C@@](C)([NH3+])c2ccccc2)C1 ZINC000052882622 523842406 /nfs/dbraw/zinc/84/24/06/523842406.db2.gz MJEMXUVVEUXMKN-ZFWWWQNUSA-N 2 0 261.369 1.071 10 0 CDAERP CN1CC[NH+](C[C@@H]2CC[C@H](C[NH2+]C(C)(C)C)O2)CC1 ZINC000052379552 523904685 /nfs/dbraw/zinc/90/46/85/523904685.db2.gz JPMIBNZBNYFHHF-KGLIPLIRSA-N 2 0 269.433 1.170 10 0 CDAERP CC[C@H](C)[N@H+](CCOC)CC1(C[NH2+]C)CCOCC1 ZINC000052183573 523938750 /nfs/dbraw/zinc/93/87/50/523938750.db2.gz FWOWSUFMYDGRNC-AWEZNQCLSA-N 2 0 272.433 1.750 10 0 CDAERP COCC[NH2+]Cc1ccccc1N(C)CC[NH+]1CCCC1 ZINC000063052517 523954989 /nfs/dbraw/zinc/95/49/89/523954989.db2.gz KYPLDPIDVYMBCC-UHFFFAOYSA-N 2 0 291.439 1.955 10 0 CDAERP C[C@@H](C(=O)NCCC[N@@H+]1CCCC[C@@H]1C)C1C[NH2+]C1 ZINC000227136409 524183161 /nfs/dbraw/zinc/18/31/61/524183161.db2.gz OHZOQRKCJIBPEG-QWHCGFSZSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)NCC[NH+]1CCCCCC1 ZINC000055136252 524204477 /nfs/dbraw/zinc/20/44/77/524204477.db2.gz ATEHUOFHPIONNA-SOUVJXGZSA-N 2 0 281.444 1.742 10 0 CDAERP C[C@H]1CCC[C@](C[NH3+])(N2CCN(CC[NH+](C)C)CC2)C1 ZINC000061643191 524223733 /nfs/dbraw/zinc/22/37/33/524223733.db2.gz GJXHWPPFOBEYPY-HOTGVXAUSA-N 2 0 282.476 1.073 10 0 CDAERP Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@H](C)CC[NH+](C)C ZINC000049557506 524319127 /nfs/dbraw/zinc/31/91/27/524319127.db2.gz SOSVDMNRESPNQY-CVEARBPZSA-N 2 0 294.439 1.973 10 0 CDAERP C[C@@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC000055141090 524684964 /nfs/dbraw/zinc/68/49/64/524684964.db2.gz AAFIIQKTWRCLNQ-RDBSUJKOSA-N 2 0 281.444 1.693 10 0 CDAERP C[C@H]([NH3+])c1cnc(N2CCC[C@@H]2C[NH+](C)C)s1 ZINC000061655481 524868831 /nfs/dbraw/zinc/86/88/31/524868831.db2.gz QJPPATOAVBWNJM-VHSXEESVSA-N 2 0 254.403 1.693 10 0 CDAERP C[C@@H]1CN(c2cc(C(N)=[NH2+])c3ccccc3n2)CC[N@@H+]1C ZINC000068798051 525061336 /nfs/dbraw/zinc/06/13/36/525061336.db2.gz KVAWXUJIJNLILW-LLVKDONJSA-N 2 0 283.379 1.659 10 0 CDAERP C[C@@H]1C[C@@H](C(=O)N2CCC[C@@H]2C[NH+](C)C)CC[C@@H]1[NH3+] ZINC000061656181 525182523 /nfs/dbraw/zinc/18/25/23/525182523.db2.gz XXTJSKVMWVKCOT-RQJABVFESA-N 2 0 267.417 1.303 10 0 CDAERP C[C@@H]1[C@@H]([NH3+])CCC[C@@H]1C(=O)NCC[NH+]1CCCCCC1 ZINC000055136235 525663345 /nfs/dbraw/zinc/66/33/45/525663345.db2.gz CBCDYRZFCIIYMC-KKUMJFAQSA-N 2 0 281.444 1.742 10 0 CDAERP c1csc(N2CC[NH+](CCC[C@@H]3CCC[NH2+]3)CC2)n1 ZINC000052764572 526584412 /nfs/dbraw/zinc/58/44/12/526584412.db2.gz MUMXWLPHWLAAEZ-ZDUSSCGKSA-N 2 0 280.441 1.797 10 0 CDAERP [NH3+]CCC[N@H+](CC(=O)NCC(F)(F)F)C1CCCCC1 ZINC000049309669 527179216 /nfs/dbraw/zinc/17/92/16/527179216.db2.gz JDCJTQYCLNYGEH-UHFFFAOYSA-N 2 0 295.349 1.648 10 0 CDAERP [NH3+]CC[C@@H]1CCC[C@@H](C(=O)N[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000055145786 527192726 /nfs/dbraw/zinc/19/27/26/527192726.db2.gz IHRVWDRHBXGHHM-NWANDNLSSA-N 2 0 279.428 1.352 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@@H](C(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000055161016 527213781 /nfs/dbraw/zinc/21/37/81/527213781.db2.gz CEFNCGCCKMUJFH-HUUCEWRRSA-N 2 0 293.455 1.838 10 0 CDAERP NNc1ccc(C[N@@H+]2CCC[C@@H]2CCCO)c[nH+]1 ZINC000052763259 527279295 /nfs/dbraw/zinc/27/92/95/527279295.db2.gz CQTDTNHGXWGVIY-GFCCVEGCSA-N 2 0 250.346 1.104 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000062034730 527342890 /nfs/dbraw/zinc/34/28/90/527342890.db2.gz KUJVOTUCXSBDRR-HZPDHXFCSA-N 2 0 293.455 1.838 10 0 CDAERP CCC[NH2+]CCNC(=O)NC[C@@H](C)[NH+](CC)CC ZINC000417010973 535164820 /nfs/dbraw/zinc/16/48/20/535164820.db2.gz QVUKRZGIVFDPOU-GFCCVEGCSA-N 2 0 258.410 1.016 10 0 CDAERP CCC[C@H](C(=O)N(C)CC1([NH+](C)C)CCC1)[NH+](C)C ZINC000189513600 535575733 /nfs/dbraw/zinc/57/57/33/535575733.db2.gz BGGHFVFGRDUSFE-CYBMUJFWSA-N 2 0 269.433 1.659 10 0 CDAERP CCC[C@H](C(=O)N1CC[C@H](C[NH+](C)C)C1)[NH+](C)C ZINC000179572688 535578798 /nfs/dbraw/zinc/57/87/98/535578798.db2.gz PETUOTBDKAYVEH-CHWSQXEVSA-N 2 0 255.406 1.127 10 0 CDAERP C[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000247486312 535964616 /nfs/dbraw/zinc/96/46/16/535964616.db2.gz TWJWCBLSPSWWQD-IAGOWNOFSA-N 2 0 292.423 1.448 10 0 CDAERP CC1(CNC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)CC[NH2+]CC1 ZINC000335615307 574429329 /nfs/dbraw/zinc/42/93/29/574429329.db2.gz YEUBCYGZYLDWIQ-MRXNPFEDSA-N 2 0 294.443 1.161 10 0 CDAERP C[NH+](C)CC(C)(C)CNC(=S)N[C@H]1CCC[N@H+](C)C1 ZINC000727078562 574548675 /nfs/dbraw/zinc/54/86/75/574548675.db2.gz OKOGBSLPHSATDK-LBPRGKRZSA-N 2 0 286.489 1.133 10 0 CDAERP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccoc2)CC1 ZINC000760703626 576503201 /nfs/dbraw/zinc/50/32/01/576503201.db2.gz QBZSRKTXWHLXHN-UHFFFAOYSA-N 2 0 252.358 1.605 10 0 CDAERP C[N@@H+](C/C=C\Cl)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001689793592 1175251506 /nfs/dbraw/zinc/25/15/06/1175251506.db2.gz PLCXZSNTQXJLMY-KMSCOEIWSA-N 2 0 273.808 1.271 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)CCC(C)C ZINC001689923646 1175310614 /nfs/dbraw/zinc/31/06/14/1175310614.db2.gz HCDWFXHQXLBZTB-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP Cc1noc(C)c1CCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925541313 617483533 /nfs/dbraw/zinc/48/35/33/617483533.db2.gz KPNREMDBCMYQBH-RHMLRGBNSA-N 2 0 275.396 1.810 10 0 CDAERP COCCOCCCC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925541338 617483555 /nfs/dbraw/zinc/48/35/55/617483555.db2.gz KXBWCXXDOHPYMM-ZIAGYGMSSA-N 2 0 272.433 1.925 10 0 CDAERP [NH3+][C@H]1C[C@H]([NH2+]CCC(=O)N2CCCCCC2)C12CCC2 ZINC000925542039 617484470 /nfs/dbraw/zinc/48/44/70/617484470.db2.gz GIPKZVLXDNYJKF-KBPBESRZSA-N 2 0 279.428 1.639 10 0 CDAERP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)C[C@@H](C)O1 ZINC000925569358 617517903 /nfs/dbraw/zinc/51/79/03/617517903.db2.gz PQJOQZZVSGHMFF-LVQVYYBASA-N 2 0 295.471 1.735 10 0 CDAERP CC1(C)[C@@H]([NH2+]C[C@@]2(O)CCSC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925622343 617568787 /nfs/dbraw/zinc/56/87/87/617568787.db2.gz JXPAMKMSHIRXNP-UHXUPSOCSA-N 2 0 270.442 1.221 10 0 CDAERP Cc1cccc([C@@H](O)CN2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)c1 ZINC000933734355 617598960 /nfs/dbraw/zinc/59/89/60/617598960.db2.gz ONQFZUNLHZWSFE-IKGGRYGDSA-N 2 0 274.408 1.912 10 0 CDAERP CC1(C)[NH2+]CC[C@@H]1NC1CC([NH+]2CCCCC2)C1 ZINC000925663781 617611469 /nfs/dbraw/zinc/61/14/69/617611469.db2.gz WBWIRMXVTUMDOG-RUXDESIVSA-N 2 0 251.418 1.733 10 0 CDAERP COC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)[C@H]1CCCOC1 ZINC000925777512 617675789 /nfs/dbraw/zinc/67/57/89/617675789.db2.gz FECXNJXOKUOERK-XQLPTFJDSA-N 2 0 284.444 1.924 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000925689127 617684243 /nfs/dbraw/zinc/68/42/43/617684243.db2.gz AZTSOXDJSSVSAB-KKNUOHPOSA-N 3 0 270.380 1.940 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000925785381 617706740 /nfs/dbraw/zinc/70/67/40/617706740.db2.gz KVNYQNWAMDSRRH-LYYZXLFJSA-N 3 0 265.445 1.742 10 0 CDAERP C[C@@H]1C[C@@H](NC[C@@H]2C[NH2+]CCC2(F)F)CC[N@@H+]1C ZINC000925786121 617708796 /nfs/dbraw/zinc/70/87/96/617708796.db2.gz VVFZDHQFBDJVAS-WOPDTQHZSA-N 2 0 261.360 1.304 10 0 CDAERP COCC1(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC1 ZINC000925714051 617822298 /nfs/dbraw/zinc/82/22/98/617822298.db2.gz NEYHABBOCIIRDY-AGIUHOORSA-N 2 0 252.402 1.779 10 0 CDAERP CC1(C)[C@H]([NH2+][C@@H]2CO[C@@H](C3CC3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925716349 617833452 /nfs/dbraw/zinc/83/34/52/617833452.db2.gz DKINAFQZOPVOCJ-VYDRJRHOSA-N 2 0 264.413 1.920 10 0 CDAERP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000925830464 617849154 /nfs/dbraw/zinc/84/91/54/617849154.db2.gz DVFZFMKHSWMQQA-WFKFIOEPSA-N 2 0 290.407 1.338 10 0 CDAERP C([NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000925832387 617854319 /nfs/dbraw/zinc/85/43/19/617854319.db2.gz PCNJIRPGETVBMK-HMDCTGQHSA-N 2 0 294.439 1.548 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000925833264 617858892 /nfs/dbraw/zinc/85/88/92/617858892.db2.gz WBYANBNNRGVNCY-SBJFKYEJSA-N 2 0 250.386 1.685 10 0 CDAERP O=C1C[C@H](CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CN1 ZINC000925841235 617872845 /nfs/dbraw/zinc/87/28/45/617872845.db2.gz ZSCRMUKIWFUUBB-REWJHTLYSA-N 2 0 265.401 1.023 10 0 CDAERP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CNOC2)CC1 ZINC000925867414 617921498 /nfs/dbraw/zinc/92/14/98/617921498.db2.gz SGYKQVRTKBSQIZ-CGZBRXJRSA-N 2 0 289.423 1.923 10 0 CDAERP O[C@@H](CN1CCCC[C@@]2(CC[NH2+]C2)C1)CC(F)(F)F ZINC000923427476 618334539 /nfs/dbraw/zinc/33/45/39/618334539.db2.gz JWZZZRPMBPYXLM-NEPJUHHUSA-N 2 0 280.334 1.765 10 0 CDAERP C[C@H](C[NH2+]C1CC2(C1)CO[C@H](C)C2)CN1CC[NH+](C)CC1 ZINC000924951497 618378046 /nfs/dbraw/zinc/37/80/46/618378046.db2.gz MJEFHKFLYRULHY-NUWOQIAWSA-N 2 0 295.471 1.417 10 0 CDAERP C[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)CC1 ZINC000928098906 618497597 /nfs/dbraw/zinc/49/75/97/618497597.db2.gz ZWWVDJGRXRQZDG-ZIAGYGMSSA-N 2 0 297.468 1.024 10 0 CDAERP CC1(C)COC[C@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000894575340 618971238 /nfs/dbraw/zinc/97/12/38/618971238.db2.gz DFFNATWNVNNLRB-CQSZACIVSA-N 2 0 252.402 1.875 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCC(C)(C)CO ZINC000925132798 620055116 /nfs/dbraw/zinc/05/51/16/620055116.db2.gz YNVRMCWPERMYPA-PBWFPOADSA-N 2 0 254.418 1.715 10 0 CDAERP C[C@@H]1[C@H](NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000925316977 621041873 /nfs/dbraw/zinc/04/18/73/621041873.db2.gz KLTKMVGOLJGPFV-RBSFLKMASA-N 2 0 294.443 1.349 10 0 CDAERP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000925333202 621579826 /nfs/dbraw/zinc/57/98/26/621579826.db2.gz UQKNJZKOQZOVPD-NFAWXSAZSA-N 2 0 296.459 1.451 10 0 CDAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCC[C@H]3C[NH3+])CC[C@H]21 ZINC000250664092 622089639 /nfs/dbraw/zinc/08/96/39/622089639.db2.gz ZIJZEMTYKNWQPJ-GBJTYRQASA-N 2 0 279.428 1.304 10 0 CDAERP CC(C)C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH+](C)C ZINC000900684643 623372940 /nfs/dbraw/zinc/37/29/40/623372940.db2.gz UFRQLYAWYQFUTG-ZDUSSCGKSA-N 2 0 267.417 1.175 10 0 CDAERP O=C(N1CC[C@H](C[NH+]2CCCCC2)C1)C12CC[NH+](CC1)C2 ZINC000900856274 623572317 /nfs/dbraw/zinc/57/23/17/623572317.db2.gz YREFCSHBTIZHSQ-OAHLLOKOSA-N 2 0 291.439 1.417 10 0 CDAERP C[C@@H]([NH2+]CCOCC[NH+](C)C)[C@@H]1COc2ccccc2C1 ZINC000902970389 625741333 /nfs/dbraw/zinc/74/13/33/625741333.db2.gz MMRZSRGREDTMLW-ZBFHGGJFSA-N 2 0 292.423 1.794 10 0 CDAERP C([NH2+][C@@H]1CCO[C@@]12CCOC2)C1CC[NH+](CC2CC2)CC1 ZINC000903205009 625898151 /nfs/dbraw/zinc/89/81/51/625898151.db2.gz AIKXNPROOKXLKP-IAGOWNOFSA-N 2 0 294.439 1.646 10 0 CDAERP CN1C[C@@H](CC[NH2+]C2CC[NH+](C(C)(C)C)CC2)CC1=O ZINC000903219634 625915064 /nfs/dbraw/zinc/91/50/64/625915064.db2.gz RNTYGNRPAIXQOG-ZDUSSCGKSA-N 2 0 281.444 1.707 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C2CC(CC(N)=O)C2)[C@H]2CCC[C@H]21 ZINC000903253931 625930097 /nfs/dbraw/zinc/93/00/97/625930097.db2.gz PNDOJDBVIQQJKT-MYXTYHMWSA-N 2 0 265.401 1.103 10 0 CDAERP CCCC(=O)NC[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903432633 625990305 /nfs/dbraw/zinc/99/03/05/625990305.db2.gz HRTBVBFDMJPJDA-KFWWJZLASA-N 2 0 281.444 1.470 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN(c3ncccc3F)CC2)C1 ZINC000903457267 626002537 /nfs/dbraw/zinc/00/25/37/626002537.db2.gz PLWCLJXTFGMREA-QWHCGFSZSA-N 2 0 278.375 1.470 10 0 CDAERP C[C@@H]1C[N@@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C[C@H]1CC[NH3+] ZINC000903497469 626012018 /nfs/dbraw/zinc/01/20/18/626012018.db2.gz YNHJWRHFVGMIAT-GMTAPVOTSA-N 2 0 293.333 1.066 10 0 CDAERP Cc1ccccc1CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496451 626012093 /nfs/dbraw/zinc/01/20/93/626012093.db2.gz OGPCCVJECNLSGQ-GDBMZVCRSA-N 2 0 289.423 1.528 10 0 CDAERP C[C@@]1([C@@H]2CCC[N@H+](C[C@@H]3CC[C@H]([NH3+])C3)C2)COC(=O)N1 ZINC000903561817 626019802 /nfs/dbraw/zinc/01/98/02/626019802.db2.gz NFAFBBQBNMNGDO-CXTNEJHOSA-N 2 0 281.400 1.324 10 0 CDAERP [NH3+]C[C@H]1Cc2cc(F)ccc2N(C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903569882 626027815 /nfs/dbraw/zinc/02/78/15/626027815.db2.gz MXIWWBNTBVMDPL-JMSVASOKSA-N 2 0 277.387 1.891 10 0 CDAERP C([C@H]1CCOC1)[N@H+](C[C@H]1CCCC[NH2+]C1)C1CC1 ZINC000903724705 626064961 /nfs/dbraw/zinc/06/49/61/626064961.db2.gz QLIUOZPDMMJPFS-UONOGXRCSA-N 2 0 252.402 1.877 10 0 CDAERP C([C@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CCCSC[C@H]1C1CC1 ZINC000903827726 626105547 /nfs/dbraw/zinc/10/55/47/626105547.db2.gz VMXKLKCHAZMNHN-KGLIPLIRSA-N 2 0 282.453 1.725 10 0 CDAERP C[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)C(C1CC1)C1CC1 ZINC000903890174 626124075 /nfs/dbraw/zinc/12/40/75/626124075.db2.gz YUQDHCLJHAAPIZ-AWEZNQCLSA-N 2 0 289.427 1.823 10 0 CDAERP CCCC[N@H+](CC)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903872478 626126535 /nfs/dbraw/zinc/12/65/35/626126535.db2.gz DVWAWTILNOALML-CQSZACIVSA-N 2 0 266.433 1.968 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])CN2CCCC[C@@H]2CC[NH3+])cnn1C ZINC000903915330 626144780 /nfs/dbraw/zinc/14/47/80/626144780.db2.gz AVTDPYDPMKQFJE-GOEBONIOSA-N 2 0 293.459 1.049 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[NH2+]Cc2cccnc2)cnn1C ZINC000903925988 626148953 /nfs/dbraw/zinc/14/89/53/626148953.db2.gz QLTUAIKOCQBGNM-CQSZACIVSA-N 2 0 273.384 1.031 10 0 CDAERP C[NH+](C)CCC[C@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000903933324 626152716 /nfs/dbraw/zinc/15/27/16/626152716.db2.gz OYWHHENONRUGRE-HMQMGEFJSA-N 3 0 295.471 1.560 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[NH2+]C2CCC=CCC2)cnn1C ZINC000903959270 626158517 /nfs/dbraw/zinc/15/85/17/626158517.db2.gz DKOBDSFQZHQIOT-AWEZNQCLSA-N 2 0 276.428 1.934 10 0 CDAERP C[C@@]1(C[NH+]2CCC(Nc3ccccn3)CC2)CC[NH2+]C1 ZINC000903960428 626160472 /nfs/dbraw/zinc/16/04/72/626160472.db2.gz JVDIPFSYBFWQSS-MRXNPFEDSA-N 2 0 274.412 1.958 10 0 CDAERP [NH3+]Cc1nc2c(s1)CCN([C@@H]1CCC[C@H]([NH3+])C1)C2 ZINC000903945068 626162760 /nfs/dbraw/zinc/16/27/60/626162760.db2.gz PUEFRSGPACJBCM-VHSXEESVSA-N 2 0 266.414 1.230 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000903964031 626171016 /nfs/dbraw/zinc/17/10/16/626171016.db2.gz FRSGERPQOGHYSB-YPMHNXCESA-N 2 0 262.353 1.403 10 0 CDAERP C[C@@H]1[C@H](NC(=S)NCC(C)(C)C[NH+](C)C)CC[N@@H+]1C ZINC000905651459 626900099 /nfs/dbraw/zinc/90/00/99/626900099.db2.gz WDEYTIMLNGOXID-VXGBXAGGSA-N 2 0 286.489 1.131 10 0 CDAERP CC1=CC[N@H+](CCNC(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC000907387197 627634127 /nfs/dbraw/zinc/63/41/27/627634127.db2.gz ZVQBOWRWTVEVTB-JKSUJKDBSA-N 2 0 291.439 1.772 10 0 CDAERP CCN(CCC[NH+]1CCCC1)C(=O)C12CC[NH+](CC1)C2 ZINC000907661980 627770995 /nfs/dbraw/zinc/77/09/95/627770995.db2.gz AKHOKUYBWPSJCP-UHFFFAOYSA-N 2 0 279.428 1.417 10 0 CDAERP C[N@H+](CC(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1)C1CCC1 ZINC000911584166 629339970 /nfs/dbraw/zinc/33/99/70/629339970.db2.gz NOSDJSRVYRRDJV-XBXGTLAGSA-N 2 0 265.401 1.214 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC(C)(C)n1ccnc1 ZINC000912616510 630085949 /nfs/dbraw/zinc/08/59/49/630085949.db2.gz INKMFDOGJNJARC-ZDUSSCGKSA-N 2 0 278.400 1.609 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000913283172 630433936 /nfs/dbraw/zinc/43/39/36/630433936.db2.gz NODMBTSRCCNZGA-YALNPMBYSA-N 2 0 293.455 1.659 10 0 CDAERP C[NH+](C)CCCCC(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000913287777 630436068 /nfs/dbraw/zinc/43/60/68/630436068.db2.gz ISSCNDZIWJPZFX-HOTGVXAUSA-N 2 0 281.444 1.519 10 0 CDAERP CC[C@H](C(=O)N1CCC(C)([NH+](C)C)CC1)[NH+](C)C ZINC000913388126 630466028 /nfs/dbraw/zinc/46/60/28/630466028.db2.gz VSAMEJYRCNQISE-GFCCVEGCSA-N 2 0 255.406 1.269 10 0 CDAERP O=C(NC12CC[NH+](CC1)C2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000913634258 630720675 /nfs/dbraw/zinc/72/06/75/630720675.db2.gz ILTMOOSZBCZHKV-INIZCTEOSA-N 2 0 299.418 1.473 10 0 CDAERP C[C@@H]1C[C@@H]([N@H+](C)CCO[C@H]2CCOC2)CCN1C ZINC000929781628 630947453 /nfs/dbraw/zinc/94/74/53/630947453.db2.gz JXDHZNUAOOCQSM-RDBSUJKOSA-N 2 0 256.390 1.206 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000914081131 631016686 /nfs/dbraw/zinc/01/66/86/631016686.db2.gz PYYJHUQXYCRXDD-RDBSUJKOSA-N 2 0 282.432 1.253 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC000915717036 631804089 /nfs/dbraw/zinc/80/40/89/631804089.db2.gz LPNQNYOVWFICDQ-DZGCQCFKSA-N 2 0 296.459 1.643 10 0 CDAERP CN(CC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)CC(F)(F)F ZINC000925477938 632722050 /nfs/dbraw/zinc/72/20/50/632722050.db2.gz KMHPBTWIZCCXSS-NXEZZACHSA-N 2 0 265.323 1.340 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCF ZINC001690468518 1158494830 /nfs/dbraw/zinc/49/48/30/1158494830.db2.gz GSTYGYMECLDDDQ-HUUCEWRRSA-N 2 0 299.434 1.799 10 0 CDAERP C[NH+](C)C1(C(=O)N2CCC[C@@H](C[NH2+]CCCF)C2)CCC1 ZINC001266791242 1158831007 /nfs/dbraw/zinc/83/10/07/1158831007.db2.gz XAFPIFUNEHIXOO-AWEZNQCLSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)=CC[NH+]1CC[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001691165948 1158941132 /nfs/dbraw/zinc/94/11/32/1158941132.db2.gz JSHNHTLURKWISS-HZPDHXFCSA-N 2 0 293.455 1.733 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)CC[NH2+]CC1CC(C)C1)[NH+](C)C ZINC001691354540 1159032907 /nfs/dbraw/zinc/03/29/07/1159032907.db2.gz WENFFLDQOCMUDE-NRXISQOPSA-N 2 0 283.460 1.667 10 0 CDAERP CCCC[N@@H+]1CC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001670691673 1158693575 /nfs/dbraw/zinc/69/35/75/1158693575.db2.gz LIYALQSNHNIIEB-KBPBESRZSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)CC[NH2+][C@H](C)[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001409352681 1160818724 /nfs/dbraw/zinc/81/87/24/1160818724.db2.gz HKDREUKNLWXAME-KGLIPLIRSA-N 2 0 283.460 2.000 10 0 CDAERP CC1(C)[C@@H]([NH3+])c2ccccc2N1CCN1CCOCC1 ZINC000866700909 1164812389 /nfs/dbraw/zinc/81/23/89/1164812389.db2.gz BVVVMHUACHJMTA-HNNXBMFYSA-N 2 0 275.396 1.617 10 0 CDAERP O=C(CCC12CC(C1)C[NH2+]2)NCC1CC[NH+](C2CC2)CC1 ZINC000870931300 1165235174 /nfs/dbraw/zinc/23/51/74/1165235174.db2.gz CKOTZWDWFZUBBH-UHFFFAOYSA-N 2 0 291.439 1.509 10 0 CDAERP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870973809 1165245157 /nfs/dbraw/zinc/24/51/57/1165245157.db2.gz FZPFYZHYSZMKOP-QRJUGERDSA-N 2 0 293.455 1.931 10 0 CDAERP C[C@@H]([NH3+])CCc1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871795988 1165348317 /nfs/dbraw/zinc/34/83/17/1165348317.db2.gz DCEBBPYSWVHCED-UBJLHIIHSA-N 2 0 250.346 1.347 10 0 CDAERP CCN(CC[NH2+]C[C@H]1CC[C@@H](C)O1)C(=O)C[N@H+](C)C(C)C ZINC001320929191 1166645921 /nfs/dbraw/zinc/64/59/21/1166645921.db2.gz QUEUYLPUBJVILY-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP CC[NH+](CC)CC[C@H](C)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC001646947811 1168280143 /nfs/dbraw/zinc/28/01/43/1168280143.db2.gz ANVQXYRJERNICR-MJBXVCDLSA-N 2 0 284.448 1.499 10 0 CDAERP CC[N@H+](C)CCCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001566463363 1168286075 /nfs/dbraw/zinc/28/60/75/1168286075.db2.gz UGRQNLPVJAGVGN-CYBMUJFWSA-N 2 0 255.406 1.319 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001566809896 1168430848 /nfs/dbraw/zinc/43/08/48/1168430848.db2.gz XUEHMOKZFXYVMJ-IHRRRGAJSA-N 2 0 269.433 1.611 10 0 CDAERP CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000063125971 1169099448 /nfs/dbraw/zinc/09/94/48/1169099448.db2.gz PFJLLXLHMXOJJD-KBPBESRZSA-N 2 0 267.417 1.304 10 0 CDAERP CCN(C(=O)NC[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](C)C1 ZINC001649309251 1169185381 /nfs/dbraw/zinc/18/53/81/1169185381.db2.gz SHKFPPOYPQYJDB-KBPBESRZSA-N 2 0 282.432 1.206 10 0 CDAERP CCOCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001671246529 1169420731 /nfs/dbraw/zinc/42/07/31/1169420731.db2.gz UGUMMBKOXPDHDV-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP CC[C@H](C)C[NH2+]C/C=C/CNC(=O)C1([NH+](C)C)CCC1 ZINC001568862579 1169523593 /nfs/dbraw/zinc/52/35/93/1169523593.db2.gz LGZUNNKYMXPYRG-UZYOAWRESA-N 2 0 281.444 1.779 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC/C=C\C[NH2+]C/C=C\Cl)C1 ZINC001568919647 1169548560 /nfs/dbraw/zinc/54/85/60/1169548560.db2.gz FWHGHUXVHFGNRU-QHFOCRFBSA-N 2 0 285.819 1.343 10 0 CDAERP C[NH+]1CCC(CC(=O)NC/C=C\C[NH2+]CC2CCC2)CC1 ZINC001568930760 1169552914 /nfs/dbraw/zinc/55/29/14/1169552914.db2.gz NYOSZSGIHSNCNK-IHWYPQMZSA-N 2 0 293.455 1.780 10 0 CDAERP CCC[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001569099247 1169644237 /nfs/dbraw/zinc/64/42/37/1169644237.db2.gz WLPFAWGTHVXCLU-KBPBESRZSA-N 2 0 269.433 1.611 10 0 CDAERP COCCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001569362437 1169802460 /nfs/dbraw/zinc/80/24/60/1169802460.db2.gz ARNFOEFUKRYVPE-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP C[NH+](C)C1(C(=O)NCC2([NH2+]CCCF)CCC2)CCC1 ZINC001570106984 1170082691 /nfs/dbraw/zinc/08/26/91/1170082691.db2.gz PXBRPXICNWIXAY-UHFFFAOYSA-N 2 0 285.407 1.459 10 0 CDAERP C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]CCCF ZINC001570351369 1170140528 /nfs/dbraw/zinc/14/05/28/1170140528.db2.gz FMNORBIEBXWTRG-QWHCGFSZSA-N 2 0 273.396 1.124 10 0 CDAERP CC(C)[C@@H](C(=O)NC/C=C\C[NH2+]CCF)[NH+]1CCCC1 ZINC001669206795 1173516921 /nfs/dbraw/zinc/51/69/21/1173516921.db2.gz HRAVHOOQZXDQNR-NQHOJNORSA-N 2 0 285.407 1.338 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001671674850 1173701201 /nfs/dbraw/zinc/70/12/01/1173701201.db2.gz PXJHAVXJOBJABT-UKRRQHHQSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@@H](CCC[NH2+]C/C=C/Cl)NC(=O)C12CC[NH+](CC1)C2 ZINC001676005678 1174172724 /nfs/dbraw/zinc/17/27/24/1174172724.db2.gz MDCFJXPFLVGPBP-MXPWBENCSA-N 2 0 299.846 1.709 10 0 CDAERP Cc1nc(C)c(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[nH]1 ZINC001596960229 1174251549 /nfs/dbraw/zinc/25/15/49/1174251549.db2.gz SLCRDNCYBYXCSR-CABZTGNLSA-N 2 0 264.373 1.373 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CCCCC[C@@H]([NH2+]CCCF)C1 ZINC001689271786 1175132633 /nfs/dbraw/zinc/13/26/33/1175132633.db2.gz QJFFGKPOEGHTSY-OAHLLOKOSA-N 2 0 299.434 1.803 10 0 CDAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC1=CCCCC1 ZINC001690648592 1175535568 /nfs/dbraw/zinc/53/55/68/1175535568.db2.gz FLVFYTUNJJCKGF-AWEZNQCLSA-N 2 0 279.428 1.677 10 0 CDAERP CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001690755585 1175565814 /nfs/dbraw/zinc/56/58/14/1175565814.db2.gz IQPGKHLOBMIUNY-CWDCEQMOSA-N 2 0 293.455 1.877 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NCCC[C@@H]2CCC[NH+]2CCF)C1 ZINC001690914692 1175607717 /nfs/dbraw/zinc/60/77/17/1175607717.db2.gz JRGJKNPQWRSBLF-HUUCEWRRSA-N 2 0 299.434 1.659 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1CCCOC ZINC001691954836 1175657789 /nfs/dbraw/zinc/65/77/89/1175657789.db2.gz XOAVAKMDWVCRAF-ZNMIVQPWSA-N 2 0 297.443 1.086 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001698573773 1175851474 /nfs/dbraw/zinc/85/14/74/1175851474.db2.gz CZQKVUAKUQKZEF-OKQSBHACSA-N 2 0 293.455 1.827 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CCCF ZINC001698599695 1175866519 /nfs/dbraw/zinc/86/65/19/1175866519.db2.gz FMWHRIBDPIOBND-UONOGXRCSA-N 2 0 285.407 1.172 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@](C)(C[NH2+]C/C=C/Cl)C1CC1 ZINC001698648921 1175886305 /nfs/dbraw/zinc/88/63/05/1175886305.db2.gz LRJNJFCHAYIYED-DJRXTCLHSA-N 2 0 299.846 1.708 10 0 CDAERP COCCC[NH2+]C[C@H](C)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001698832320 1175954342 /nfs/dbraw/zinc/95/43/42/1175954342.db2.gz ONEQBEWUNQHVSG-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CC[NH+](C)C ZINC001699030029 1176049446 /nfs/dbraw/zinc/04/94/46/1176049446.db2.gz WXOBHWSCKRKIEG-GJZGRUSLSA-N 2 0 281.444 1.779 10 0 CDAERP CC[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001699181875 1176130803 /nfs/dbraw/zinc/13/08/03/1176130803.db2.gz WTGAGPOLAOTFNG-CYBMUJFWSA-N 2 0 255.406 1.317 10 0 CDAERP O=C(NC/C=C\C[NH2+]CCCF)C12CCC[NH+](CCC1)C2 ZINC001699271726 1176189905 /nfs/dbraw/zinc/18/99/05/1176189905.db2.gz JABQSYWTSFSWCU-UPHRSURJSA-N 2 0 297.418 1.484 10 0 CDAERP CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001699313444 1176215389 /nfs/dbraw/zinc/21/53/89/1176215389.db2.gz CWUUSTFIYPSLSI-NVFZZLLCSA-N 2 0 265.401 1.285 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+]CC2CCCCC2)C1 ZINC001699342167 1176266754 /nfs/dbraw/zinc/26/67/54/1176266754.db2.gz FBLCVMMHIMYARZ-JFDDCEBESA-N 2 0 293.455 1.780 10 0 CDAERP CCC[NH2+]C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001699396998 1176359827 /nfs/dbraw/zinc/35/98/27/1176359827.db2.gz OVCXBNBXWMMUQM-GFCCVEGCSA-N 2 0 255.406 1.223 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCOC(C)C ZINC001699433674 1176394269 /nfs/dbraw/zinc/39/42/69/1176394269.db2.gz XSTSISCUQSWFGV-GJZGRUSLSA-N 2 0 299.459 1.380 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)[C@@H](C)Cc1c[nH]cn1)C1CC1 ZINC001699594916 1176493136 /nfs/dbraw/zinc/49/31/36/1176493136.db2.gz LSJRJZPZZFBDSM-GWCFXTLKSA-N 2 0 264.373 1.093 10 0 CDAERP C[C@@H](C(=O)NCC1([NH2+]CCCF)CC1)[NH+]1CCCCCC1 ZINC001699664326 1176559203 /nfs/dbraw/zinc/55/92/03/1176559203.db2.gz DVWRJMWKTFSTDX-AWEZNQCLSA-N 2 0 299.434 1.849 10 0 CDAERP CC1CC[NH+](CC(=O)N2CC[C@@](C)(C[NH2+]CCF)C2)CC1 ZINC001699851742 1176655767 /nfs/dbraw/zinc/65/57/67/1176655767.db2.gz MHEHEVSKODHJKG-INIZCTEOSA-N 2 0 299.434 1.516 10 0 CDAERP CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H](CC)[NH+](C)C ZINC001699983392 1176705569 /nfs/dbraw/zinc/70/55/69/1176705569.db2.gz DXHRAXMQQBPBPK-INIZCTEOSA-N 2 0 291.439 1.965 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CCCC[C@H]1C[NH2+]C/C=C/Cl ZINC001700348683 1176861761 /nfs/dbraw/zinc/86/17/61/1176861761.db2.gz JNCGNYKNOPCUEX-DYLGSBMWSA-N 2 0 299.846 1.805 10 0 CDAERP CC(C)OCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001700755721 1177115854 /nfs/dbraw/zinc/11/58/54/1177115854.db2.gz RSURFNARMZQGAH-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP C[NH+]1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]CCCF)C2)CC1 ZINC001707087610 1177947813 /nfs/dbraw/zinc/94/78/13/1177947813.db2.gz KNXFFVDJQHPVKY-MQMHXKEQSA-N 2 0 285.407 1.172 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CC2)C1 ZINC001713199707 1178427014 /nfs/dbraw/zinc/42/70/14/1178427014.db2.gz MNSPWHDQCNUAFD-OKILXGFUSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCCF)C1 ZINC001713985387 1178910139 /nfs/dbraw/zinc/91/01/39/1178910139.db2.gz MUECZQONBRAPPS-MJBXVCDLSA-N 2 0 285.407 1.456 10 0 CDAERP CC(C)OCC[NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001714260860 1179051495 /nfs/dbraw/zinc/05/14/95/1179051495.db2.gz CCJCELSKAMYYGA-AWEZNQCLSA-N 2 0 299.459 1.380 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](C[NH2+]CCC3CC3)C2)C1 ZINC001714367952 1179107355 /nfs/dbraw/zinc/10/73/55/1179107355.db2.gz OQTRFFKZVHHDTD-GOEBONIOSA-N 2 0 293.455 1.566 10 0 CDAERP CCC[NH2+]C[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001714387053 1179117565 /nfs/dbraw/zinc/11/75/65/1179117565.db2.gz ZTQZUQNYNVZMLG-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)CCCC(=O)NCC[N@H+](C)CC1CCCC1 ZINC001714557456 1179213993 /nfs/dbraw/zinc/21/39/93/1179213993.db2.gz HWPAFPMILJEKNR-UHFFFAOYSA-N 2 0 269.433 1.566 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001714642210 1179291567 /nfs/dbraw/zinc/29/15/67/1179291567.db2.gz DUOQXFKMQMJOTM-AWEZNQCLSA-N 2 0 269.433 1.566 10 0 CDAERP C[C@@H](C[NH2+]C/C=C\Cl)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001714677755 1179318687 /nfs/dbraw/zinc/31/86/87/1179318687.db2.gz YASHHXJKVXUPGM-UJZCVKTISA-N 2 0 299.846 1.804 10 0 CDAERP CC[C@@H](C)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001714689308 1179331401 /nfs/dbraw/zinc/33/14/01/1179331401.db2.gz CUVZIIAJTQFANK-CHWSQXEVSA-N 2 0 255.406 1.175 10 0 CDAERP CN(CC[NH2+]CCC(F)(F)F)C(=O)C[N@H+](C)C1CCC1 ZINC001714715389 1179353560 /nfs/dbraw/zinc/35/35/60/1179353560.db2.gz MGNWZOXGKLCWCL-UHFFFAOYSA-N 2 0 295.349 1.471 10 0 CDAERP CCCCC[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001714979597 1179488446 /nfs/dbraw/zinc/48/84/46/1179488446.db2.gz AMYFQENHTDDJQB-AWEZNQCLSA-N 2 0 267.417 1.176 10 0 CDAERP CCCCC[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001714979600 1179488636 /nfs/dbraw/zinc/48/86/36/1179488636.db2.gz AMYFQENHTDDJQB-CQSZACIVSA-N 2 0 267.417 1.176 10 0 CDAERP C[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)[C@@H]1C[NH2+]CCF ZINC001715384123 1179652544 /nfs/dbraw/zinc/65/25/44/1179652544.db2.gz IKGOHFSRQULKFT-DZGCQCFKSA-N 2 0 299.434 1.657 10 0 CDAERP CC[NH2+]CC[C@@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001715447259 1179668891 /nfs/dbraw/zinc/66/88/91/1179668891.db2.gz QOAMIIYLUBNIFG-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP CC1CC(C[NH2+]C/C=C/CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001716307491 1180149226 /nfs/dbraw/zinc/14/92/26/1180149226.db2.gz YKCPBBDUGIVLKM-ONEGZZNKSA-N 2 0 293.455 1.779 10 0 CDAERP CC(C)CCC[NH2+]C[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001716419447 1180196811 /nfs/dbraw/zinc/19/68/11/1180196811.db2.gz FBGBAVZSJZKRNC-HUUCEWRRSA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001716471454 1180232952 /nfs/dbraw/zinc/23/29/52/1180232952.db2.gz BDGLKEFWVKITQK-KGLIPLIRSA-N 2 0 267.417 1.483 10 0 CDAERP CC[NH+]1CCC(C)(CNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001716889499 1180454470 /nfs/dbraw/zinc/45/44/70/1180454470.db2.gz LXRTYSVUFOYWRI-UHFFFAOYSA-N 2 0 269.433 1.565 10 0 CDAERP CCC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001716989854 1180494263 /nfs/dbraw/zinc/49/42/63/1180494263.db2.gz AKMWJXBNXAXHGF-HIFRSBDPSA-N 2 0 281.444 1.422 10 0 CDAERP CC(C)[NH+](C)CC(=O)N1CCC[C@@H]1C[N@@H+](C)C(C)C ZINC001717376167 1180634831 /nfs/dbraw/zinc/63/48/31/1180634831.db2.gz LICCFSQPOZWMJT-CQSZACIVSA-N 2 0 269.433 1.658 10 0 CDAERP CC(C)[NH2+][C@H](C)[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001717428411 1180667851 /nfs/dbraw/zinc/66/78/51/1180667851.db2.gz GVYDJWCIPIDAQG-CHWSQXEVSA-N 2 0 269.433 1.610 10 0 CDAERP C[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000164420285 1180686470 /nfs/dbraw/zinc/68/64/70/1180686470.db2.gz ABAOHSCIAKZVLM-HZPDHXFCSA-N 2 0 289.423 1.882 10 0 CDAERP CCCC[NH2+]C[C@@H](O)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001717923083 1180926534 /nfs/dbraw/zinc/92/65/34/1180926534.db2.gz HZUMEIQUOUXWKD-CQSZACIVSA-N 2 0 299.459 1.070 10 0 CDAERP CC[C@@H](C(=O)N1CC[C@@H](CC[NH2+]CC2CC2)C1)[NH+](C)C ZINC001724734597 1181737271 /nfs/dbraw/zinc/73/72/71/1181737271.db2.gz SWXPYHJKYSNVAW-CABCVRRESA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CCC1CC1 ZINC001725129510 1181876186 /nfs/dbraw/zinc/87/61/86/1181876186.db2.gz PMXSYFGRFBGYKN-STQMWFEESA-N 2 0 269.433 1.610 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1C[C@H](C[NH2+]CCF)C1 ZINC001725373172 1181978441 /nfs/dbraw/zinc/97/84/41/1181978441.db2.gz SQYVDKQAGAGQOP-YXSUXZIUSA-N 2 0 285.407 1.313 10 0 CDAERP C[C@@H](CCC[NH2+]CC1CCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001725418779 1181993346 /nfs/dbraw/zinc/99/33/46/1181993346.db2.gz RHBUWPZLLQVARJ-ZFWWWQNUSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001725491580 1182021755 /nfs/dbraw/zinc/02/17/55/1182021755.db2.gz SDXPEPJAOTYMBK-JHJVBQTASA-N 2 0 255.406 1.172 10 0 CDAERP C[C@@H](CN(C)C(=O)C1CC[NH+](C)CC1)[NH2+]CCCF ZINC001725505366 1182028785 /nfs/dbraw/zinc/02/87/85/1182028785.db2.gz MBQTZCFVAZXBQX-LBPRGKRZSA-N 2 0 273.396 1.124 10 0 CDAERP CC(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001725593832 1182065300 /nfs/dbraw/zinc/06/53/00/1182065300.db2.gz ONCWVUAHTOYNEI-UONOGXRCSA-N 2 0 269.433 1.562 10 0 CDAERP CCOCC[NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C ZINC001725675836 1182094274 /nfs/dbraw/zinc/09/42/74/1182094274.db2.gz MQEDCUMRPPNKPV-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001731459330 1182399645 /nfs/dbraw/zinc/39/96/45/1182399645.db2.gz IXZVDRWJXHGPBM-IHRRRGAJSA-N 2 0 267.417 1.365 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001731493039 1182419685 /nfs/dbraw/zinc/41/96/85/1182419685.db2.gz LBRFTFMOWTYJRR-GASCZTMLSA-N 2 0 281.444 1.899 10 0 CDAERP CC(C)CC[NH2+]C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001731524254 1182434650 /nfs/dbraw/zinc/43/46/50/1182434650.db2.gz GDGQTYBIXCMQGQ-HNNXBMFYSA-N 2 0 283.460 1.812 10 0 CDAERP CCCC[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001731669738 1182510754 /nfs/dbraw/zinc/51/07/54/1182510754.db2.gz VCOJCJNPOSTVLJ-CYBMUJFWSA-N 2 0 255.406 1.176 10 0 CDAERP CC(C)[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001731727328 1182535659 /nfs/dbraw/zinc/53/56/59/1182535659.db2.gz HZGJVKFJBRHJHT-JHJVBQTASA-N 2 0 255.406 1.219 10 0 CDAERP CN(CC[NH2+]CC1CCC1)C(=O)C[N@H+](C)C1CCC1 ZINC001731918845 1182678657 /nfs/dbraw/zinc/67/86/57/1182678657.db2.gz BOVAAZVTIWONEW-UHFFFAOYSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)[NH2+]CC1(NC(=O)C[N@H+](C)C(C)C)CCCC1 ZINC001732237390 1182875301 /nfs/dbraw/zinc/87/53/01/1182875301.db2.gz OFWLAHRSWZIZGK-UHFFFAOYSA-N 2 0 269.433 1.754 10 0 CDAERP CC(C)CCC[NH2+]C[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001733014461 1183239071 /nfs/dbraw/zinc/23/90/71/1183239071.db2.gz UXAZSYUTCFNODZ-CABCVRRESA-N 2 0 283.460 1.859 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NC2CC(C[NH2+]C/C=C/Cl)C2)C1 ZINC001733958096 1183584493 /nfs/dbraw/zinc/58/44/93/1183584493.db2.gz PQGXQCINPDZAFF-LLEZZBECSA-N 2 0 285.819 1.175 10 0 CDAERP CC[N@H+](C)[C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001734044485 1183632474 /nfs/dbraw/zinc/63/24/74/1183632474.db2.gz IDHYTDFCLGYDAP-ZDUSSCGKSA-N 2 0 267.417 1.319 10 0 CDAERP CCC[N@@H+]1C[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001734149275 1183675643 /nfs/dbraw/zinc/67/56/43/1183675643.db2.gz HHKCVHYGTLKZIG-ZDUSSCGKSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)=CC[NH+](C)C[C@@H](O)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001734547934 1183819962 /nfs/dbraw/zinc/81/99/62/1183819962.db2.gz ZHZYPAMNXUXXIS-OAHLLOKOSA-N 2 0 299.459 1.044 10 0 CDAERP CC[C@H](C)C[C@@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000400751017 1186374949 /nfs/dbraw/zinc/37/49/49/1186374949.db2.gz CSMFCNVYLJGKQG-YNEHKIRRSA-N 2 0 255.406 1.303 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@H]1CC[C@@H](C)C[C@H]1n1cncn1 ZINC000423463167 1186728110 /nfs/dbraw/zinc/72/81/10/1186728110.db2.gz LFCSBRFKJWDJBB-NJMOYASZSA-N 2 0 251.378 1.333 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001691875441 1164371102 /nfs/dbraw/zinc/37/11/02/1164371102.db2.gz GGCUSMVCMRPDBH-KGLIPLIRSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@](O)(C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)c1ccc(F)cc1 ZINC000925631885 828357229 /nfs/dbraw/zinc/35/72/29/828357229.db2.gz YCTHLYXBRDRVAS-KFWWJZLASA-N 2 0 278.371 1.893 10 0 CDAERP C[NH+](C)C[C@@H]1CN(C(=O)c2ccoc2)C[C@H]1C[NH+](C)C ZINC000870024555 828366152 /nfs/dbraw/zinc/36/61/52/828366152.db2.gz SBZGNNHZHYFLBS-ZIAGYGMSSA-N 2 0 279.384 1.091 10 0 CDAERP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)C(C)(C)CO ZINC000926335612 822705688 /nfs/dbraw/zinc/70/56/88/822705688.db2.gz APAQBIGLMFGUEX-IYXRBSQSSA-N 2 0 254.418 2.000 10 0 CDAERP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711362049 822734050 /nfs/dbraw/zinc/73/40/50/822734050.db2.gz SJXRBOJFXFKWGZ-OLZOCXBDSA-N 2 0 267.417 1.032 10 0 CDAERP C[NH+]1CCC2(CC1)CC[NH+](C[C@H]1C[C@@H]([NH3+])C1)CC2 ZINC000703534708 822752447 /nfs/dbraw/zinc/75/24/47/822752447.db2.gz LGIXJMIRXAHCOR-OKILXGFUSA-N 3 0 251.418 1.532 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CC[C@H]2CCOC2=O)[C@H](C)C1 ZINC000246301726 823779597 /nfs/dbraw/zinc/77/95/97/823779597.db2.gz BEHUKGBDAMYIDS-RDBSUJKOSA-N 2 0 268.401 1.602 10 0 CDAERP c1ccc2cc(OCCN3CC[NH2+]CC[NH2+]CC3)ccc2c1 ZINC000923461443 828567912 /nfs/dbraw/zinc/56/79/12/828567912.db2.gz NJGCFNFTPARCRK-UHFFFAOYSA-N 2 0 299.418 1.713 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccnc1F ZINC000849024507 828568961 /nfs/dbraw/zinc/56/89/61/828568961.db2.gz KMAVACHQSUQJMO-GFCCVEGCSA-N 2 0 279.363 1.319 10 0 CDAERP CC1(C)[C@@H]([NH2+]C[C@@]2(C)CCOC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925485940 828571261 /nfs/dbraw/zinc/57/12/61/828571261.db2.gz FHAYWEFLXGWNEU-UKTARXLSSA-N 2 0 252.402 1.779 10 0 CDAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000925493378 823831109 /nfs/dbraw/zinc/83/11/09/823831109.db2.gz XDLBFFMLHXCSGM-OAGGEKHMSA-N 3 0 294.487 1.120 10 0 CDAERP CC1(C)[C@@H](NC[C@H]2CCC[N@@H+]2CCCO)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925678419 828581852 /nfs/dbraw/zinc/58/18/52/828581852.db2.gz DWXKPRZYUVDDBE-WCVJEAGWSA-N 2 0 295.471 1.199 10 0 CDAERP C[C@H]1OC[C@@H]([NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)[C@@H]1C ZINC000925439064 823908087 /nfs/dbraw/zinc/90/80/87/823908087.db2.gz HXEWEEYPKWNHKE-OXGONZEZSA-N 2 0 284.444 1.889 10 0 CDAERP Cn1nnc2c1C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c3ccccc31)CC2 ZINC000925893430 823922046 /nfs/dbraw/zinc/92/20/46/823922046.db2.gz NTMWEBNMLAXGDW-YVLXSGLVSA-N 2 0 283.379 1.407 10 0 CDAERP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000720902653 823925495 /nfs/dbraw/zinc/92/54/95/823925495.db2.gz VAZDVLAHMJILID-AAVRWANBSA-N 2 0 265.401 1.199 10 0 CDAERP Cc1cccc(C(=O)NCC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925495329 823937655 /nfs/dbraw/zinc/93/76/55/823937655.db2.gz OJENDGRWIOEHBU-HUUCEWRRSA-N 2 0 287.407 1.584 10 0 CDAERP C[N@H+](CCCCCC[NH3+])[C@@H]1CCN(C2CCC2)C1=O ZINC000872158902 823950060 /nfs/dbraw/zinc/95/00/60/823950060.db2.gz YZBFYXMIOSHVTC-CQSZACIVSA-N 2 0 267.417 1.591 10 0 CDAERP Fc1cccc([C@@H]2CC[N@@H+]2C[C@H]2CC3(C[NH2+]C3)CO2)c1 ZINC000923316012 823972354 /nfs/dbraw/zinc/97/23/54/823972354.db2.gz CLXKTNSXRKBAQO-CABCVRRESA-N 2 0 276.355 1.951 10 0 CDAERP C[C@H]([NH2+][C@H]1CCNC1=O)c1cccc(C[NH+](C)C)c1 ZINC000926672842 824053503 /nfs/dbraw/zinc/05/35/03/824053503.db2.gz NQZFQOMKZYJQNY-FZMZJTMJSA-N 2 0 261.369 1.287 10 0 CDAERP CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000714243709 824095282 /nfs/dbraw/zinc/09/52/82/824095282.db2.gz HFHHAWOWPOYWPC-HTVCTNPSSA-N 2 0 286.441 1.072 10 0 CDAERP CC[C@H]1C[C@@H](C[NH2+]CCCN(C)CC[NH+](C)C)CCO1 ZINC000857784078 824098596 /nfs/dbraw/zinc/09/85/96/824098596.db2.gz POCZWOWQKSXLIQ-HOTGVXAUSA-N 2 0 285.476 1.665 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925881667 824106399 /nfs/dbraw/zinc/10/63/99/824106399.db2.gz KNUFJQYFRFOMAT-ZACQAIPSSA-N 3 0 291.439 1.389 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1CC[C@H](C(F)(F)F)O1)[C@@H]1CC[NH2+]C1 ZINC000722392686 824111263 /nfs/dbraw/zinc/11/12/63/824111263.db2.gz DFLXDXVEPKBHBA-ZRUFSTJUSA-N 2 0 266.307 1.684 10 0 CDAERP CCC[N@H+](C[C@@H]1CCCCO1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923311583 824128655 /nfs/dbraw/zinc/12/86/55/824128655.db2.gz PICUOZUPEFXJTG-XUXIUFHCSA-N 2 0 256.390 1.118 10 0 CDAERP C[C@H]1CN(CCC[NH2+]Cc2ccnc(F)c2)C[C@H](C)O1 ZINC000858090014 824139089 /nfs/dbraw/zinc/13/90/89/824139089.db2.gz HWJJNIAOFPQXFH-STQMWFEESA-N 2 0 281.375 1.810 10 0 CDAERP C[C@H](C1CC1)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000782186449 824147026 /nfs/dbraw/zinc/14/70/26/824147026.db2.gz KGFMHQRGCXDJEW-FMKPAKJESA-N 2 0 265.445 1.743 10 0 CDAERP CC(C)[C@@H]([NH3+])CC[N@H+](C)C[C@H]1CC2(CO1)CCOCC2 ZINC000712604895 828614510 /nfs/dbraw/zinc/61/45/10/828614510.db2.gz PSXLXVRJZNBJMI-CABCVRRESA-N 2 0 284.444 1.877 10 0 CDAERP C[C@@](C[NH3+])([NH2+]C[C@H]1CC2(CO1)CCOCC2)C1CC1 ZINC000872141699 824154591 /nfs/dbraw/zinc/15/45/91/824154591.db2.gz OVJGGUKDYLLJLA-KGLIPLIRSA-N 2 0 268.401 1.289 10 0 CDAERP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000866703713 824171199 /nfs/dbraw/zinc/17/11/99/824171199.db2.gz KQGGGDNMAPKIAJ-AVGNSLFASA-N 2 0 268.426 1.192 10 0 CDAERP CC(C)[C@H]([NH3+])CCN(C)C(=O)C=C1CC[NH2+]CC1 ZINC000852797968 824186629 /nfs/dbraw/zinc/18/66/29/824186629.db2.gz DEJRXNXGBJWRTI-CYBMUJFWSA-N 2 0 253.390 1.128 10 0 CDAERP C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC(=O)NC1CC1 ZINC000923302680 824192626 /nfs/dbraw/zinc/19/26/26/824192626.db2.gz TWTOGAOSOFIVHW-QXMXGUDHSA-N 2 0 265.401 1.118 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H]1CC[NH+](C)[C@H]1C ZINC000922546582 824223959 /nfs/dbraw/zinc/22/39/59/824223959.db2.gz DSUBFGBSPUADFV-IHRRRGAJSA-N 2 0 284.448 1.499 10 0 CDAERP C[C@H]1CC([NH2+]CCN2CCC([NH3+])CC2)C[C@H](C)C1 ZINC000721945034 824229256 /nfs/dbraw/zinc/22/92/56/824229256.db2.gz WLVCBSOWNFUVRW-CHWSQXEVSA-N 2 0 253.434 1.824 10 0 CDAERP C[NH2+]CCC1CC[NH+](Cc2nn(C)cc2C)CC1 ZINC000723965235 824233070 /nfs/dbraw/zinc/23/30/70/824233070.db2.gz UJKHRADRRWDBHH-UHFFFAOYSA-N 2 0 250.390 1.550 10 0 CDAERP FC(F)(F)c1ccc(CN2CC[NH2+]CC[NH2+]CC2)nc1 ZINC000923460735 824258331 /nfs/dbraw/zinc/25/83/31/824258331.db2.gz USYJGFKAQNHOGD-UHFFFAOYSA-N 2 0 288.317 1.095 10 0 CDAERP Cc1cc([C@H]([NH3+])CC(=O)N[C@@H](C)[C@@H](C)[NH3+])cc(Cl)n1 ZINC000834820801 824275341 /nfs/dbraw/zinc/27/53/41/824275341.db2.gz DLXAJDBZXLWHPI-WCABBAIRSA-N 2 0 284.791 1.285 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000720880151 824287134 /nfs/dbraw/zinc/28/71/34/824287134.db2.gz NBBRBAAFVLOFHF-RRFJBIMHSA-N 2 0 281.444 1.693 10 0 CDAERP COc1ccccc1NC(=O)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000125521920 824324262 /nfs/dbraw/zinc/32/42/62/824324262.db2.gz AURWNSMIVHFBPR-LBPRGKRZSA-N 2 0 277.368 1.304 10 0 CDAERP C1C[C@@H]2C[C@H]([NH2+][C@H]3[C@@H]4OC[C@@H]5C[C@H]3C[C@@H]54)CC[N@@H+]2C1 ZINC000865697614 824329847 /nfs/dbraw/zinc/32/98/47/824329847.db2.gz ZYNYXBAHUQVFDG-OBKMEXPCSA-N 2 0 262.397 1.626 10 0 CDAERP [NH3+]CCC[N@H+](C[C@@H](O)C(F)(F)F)CC1CCCC1 ZINC000923355132 824368268 /nfs/dbraw/zinc/36/82/68/824368268.db2.gz YYYVGORJWGGJDY-LLVKDONJSA-N 2 0 268.323 1.751 10 0 CDAERP C[C@H]1C[C@@H](N(C)C(=O)c2cccc3nccn32)CC[N@@H+]1C ZINC000776955885 824385405 /nfs/dbraw/zinc/38/54/05/824385405.db2.gz QQOYCYRHRYUBGA-STQMWFEESA-N 2 0 286.379 1.889 10 0 CDAERP C[C@H]1C[C@@H]1NC(=[NH2+])NCC1(C[NH+](C)C)CCCC1 ZINC000864464194 824388578 /nfs/dbraw/zinc/38/85/78/824388578.db2.gz SSAKUQPVIJVHSZ-RYUDHWBXSA-N 2 0 252.406 1.631 10 0 CDAERP CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)[C@H](O)C(F)F ZINC000925678339 824393803 /nfs/dbraw/zinc/39/38/03/824393803.db2.gz CPRHVTWIMFZKHE-VLEAKVRGSA-N 2 0 264.360 1.887 10 0 CDAERP CN(C)C(=O)CCC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925588362 824397258 /nfs/dbraw/zinc/39/72/58/824397258.db2.gz WAUOPUBTEHBRPP-LSDHHAIUSA-N 2 0 281.444 1.613 10 0 CDAERP FC(F)(F)C(F)(F)OCC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000720308022 824434382 /nfs/dbraw/zinc/43/43/82/824434382.db2.gz JNDOQTKMVXNZBX-MRVPVSSYSA-N 2 0 276.249 1.890 10 0 CDAERP O=C1CCCN1CC[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923506415 824434601 /nfs/dbraw/zinc/43/46/01/824434601.db2.gz WOJATJMGKZNFQD-OAHLLOKOSA-N 2 0 293.455 1.711 10 0 CDAERP COCC[N@H+](C)CCCN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925541063 824445047 /nfs/dbraw/zinc/44/50/47/824445047.db2.gz AEUXGYDYNHZPFQ-DLBZAZTESA-N 2 0 297.487 1.713 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000925720837 828649943 /nfs/dbraw/zinc/64/99/43/828649943.db2.gz VBCWTLNMWMMAQL-QKGCVVFFSA-N 2 0 252.402 1.922 10 0 CDAERP C(C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)OC1CCOCC1 ZINC000709934151 824447575 /nfs/dbraw/zinc/44/75/75/824447575.db2.gz JKPRTCKUEQLXIW-OAHLLOKOSA-N 2 0 268.401 1.258 10 0 CDAERP C[C@H]1C[C@H](C[NH2+]Cc2cccnc2-n2ccnc2)CC[NH2+]1 ZINC000841095435 824476701 /nfs/dbraw/zinc/47/67/01/824476701.db2.gz GCHINZWMRKFPEV-UONOGXRCSA-N 2 0 285.395 1.745 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000852858628 824557893 /nfs/dbraw/zinc/55/78/93/824557893.db2.gz FJOBWWUGODYVMV-UHFFFAOYSA-N 2 0 291.439 1.631 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000870992118 824603714 /nfs/dbraw/zinc/60/37/14/824603714.db2.gz ILITYFMUSPWVNA-DOMZBBRYSA-N 2 0 267.417 1.210 10 0 CDAERP CC[N@@H+]1CCC[C@@H](CNCc2cn(C)nc2Cl)C1 ZINC000856768697 824647910 /nfs/dbraw/zinc/64/79/10/824647910.db2.gz ZTEVJXLVPOYMJF-NSHDSACASA-N 2 0 270.808 1.895 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2cc(CO)on2)CC1 ZINC000924956244 824736068 /nfs/dbraw/zinc/73/60/68/824736068.db2.gz VNXQVHYIVUWBQQ-LBPRGKRZSA-N 2 0 281.400 1.940 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC000926869174 824748818 /nfs/dbraw/zinc/74/88/18/824748818.db2.gz QDXWBKLTIYXRSN-IINVVDAPSA-N 2 0 292.398 1.659 10 0 CDAERP C1=C(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CC[NH2+]C1 ZINC000925699678 824759875 /nfs/dbraw/zinc/75/98/75/824759875.db2.gz PJHYMEONDLXNJB-JKSUJKDBSA-N 2 0 263.429 1.664 10 0 CDAERP C1[C@H]([NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)C12CC[NH2+]CC2 ZINC000925703105 828689809 /nfs/dbraw/zinc/68/98/09/828689809.db2.gz CDBYSGBNLDJGPP-BARDWOONSA-N 2 0 264.413 1.923 10 0 CDAERP CSCc1n[nH]c(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000925776176 824803040 /nfs/dbraw/zinc/80/30/40/824803040.db2.gz DZKFEQWPBIBQPO-GARJFASQSA-N 2 0 281.429 1.145 10 0 CDAERP CC[N@H+](CCN[C@H]1CC[NH2+]C12CCCC2)C(C)C ZINC000925560064 824810471 /nfs/dbraw/zinc/81/04/71/824810471.db2.gz WMMNTBKADVSAEU-AWEZNQCLSA-N 2 0 253.434 1.981 10 0 CDAERP O=C1CC[C@@H]2C[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[C@H]2N1 ZINC000719277109 824844551 /nfs/dbraw/zinc/84/45/51/824844551.db2.gz HEANLLZGLUKCEE-HKJOBYGYSA-N 2 0 277.412 1.118 10 0 CDAERP O[C@H](C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)C(F)(F)F ZINC000923358350 824848148 /nfs/dbraw/zinc/84/81/48/824848148.db2.gz YVLRVAIVHBJOQF-GHMZBOCLSA-N 2 0 266.307 1.231 10 0 CDAERP COC(=O)c1sccc1C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000397531386 824850705 /nfs/dbraw/zinc/85/07/05/824850705.db2.gz HTJYTFCLKINRBI-UHFFFAOYSA-N 2 0 298.408 1.081 10 0 CDAERP [NH3+]CC[C@@H]1CC[N@H+](Cc2cc(CO)ccc2F)C1 ZINC000923481565 824856600 /nfs/dbraw/zinc/85/66/00/824856600.db2.gz RJPUZUNHRFODNO-LLVKDONJSA-N 2 0 252.333 1.489 10 0 CDAERP CC[NH+](CC)CCCN1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923452674 824858312 /nfs/dbraw/zinc/85/83/12/824858312.db2.gz SNAOLJYSKZVJDN-HNNXBMFYSA-N 2 0 283.460 1.548 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C[C@@H](O)c2ccc(F)cn2)CC[N@@H+]1C ZINC000799305604 824873198 /nfs/dbraw/zinc/87/31/98/824873198.db2.gz HDKMZCYWDXMNIH-OSAQELSMSA-N 2 0 281.375 1.669 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@H](O)COCC2CC2)C1 ZINC000925616771 824883374 /nfs/dbraw/zinc/88/33/74/824883374.db2.gz NVQWUJWXYURPMD-MCIONIFRSA-N 2 0 270.417 1.270 10 0 CDAERP C[C@H]1C[C@H]1NC(=[NH2+])NCc1cccc(C[NH+](C)C)c1 ZINC000864452109 828711769 /nfs/dbraw/zinc/71/17/69/828711769.db2.gz LOCBHCGIXCLMIP-SMDDNHRTSA-N 2 0 260.385 1.771 10 0 CDAERP CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923452858 824934108 /nfs/dbraw/zinc/93/41/08/824934108.db2.gz IPJNTEHFNGGUEN-IHRRRGAJSA-N 2 0 297.443 1.119 10 0 CDAERP CC[C@H](C[C@@](C)(O)CC)[NH2+]CCCN1CCC(O)CC1 ZINC000924752691 824944165 /nfs/dbraw/zinc/94/41/65/824944165.db2.gz CMBBBZNUAKTNCN-ZBFHGGJFSA-N 2 0 286.460 1.753 10 0 CDAERP C[NH+](C)[C@H]1CCCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC000897570407 825022521 /nfs/dbraw/zinc/02/25/21/825022521.db2.gz QZWNNIJKZWIDIT-HOCLYGCPSA-N 2 0 279.428 1.415 10 0 CDAERP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCCc3cn[nH]c32)CC1 ZINC000857852659 825087241 /nfs/dbraw/zinc/08/72/41/825087241.db2.gz DCBXZYWWEGEHKV-OAHLLOKOSA-N 2 0 291.443 1.404 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000926886015 825093038 /nfs/dbraw/zinc/09/30/38/825093038.db2.gz CUXGRCUXXBLTFR-LJIAPDMLSA-N 2 0 250.386 1.484 10 0 CDAERP C[N@@H+](Cc1ccc2cc[nH]c2c1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923413177 825170611 /nfs/dbraw/zinc/17/06/11/825170611.db2.gz CIRFYEDOCCFAQL-HNNXBMFYSA-N 2 0 285.391 1.978 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)CC[NH2+]CC2CC2)CC[N@@H+]1C ZINC000870893049 825187279 /nfs/dbraw/zinc/18/72/79/825187279.db2.gz NKYYRAZUPPIZPN-OCCSQVGLSA-N 2 0 267.417 1.317 10 0 CDAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@@H]3CC[C@@H](C4CC4)O3)C[C@H]12 ZINC000715509090 825214343 /nfs/dbraw/zinc/21/43/43/825214343.db2.gz LBMPNFVGUNQDIQ-FQKPHLNHSA-N 2 0 250.386 1.613 10 0 CDAERP CC[NH+]1CCC(C[NH2+]C[C@H](O)c2ccc(F)cn2)CC1 ZINC000818974199 825310584 /nfs/dbraw/zinc/31/05/84/825310584.db2.gz HGBQPEOLQINWON-HNNXBMFYSA-N 2 0 281.375 1.576 10 0 CDAERP [NH3+]Cc1nc2c(s1)CCN([C@@H]1CC[N@@H+]3CCC[C@@H]3C1)C2 ZINC000710206468 825345412 /nfs/dbraw/zinc/34/54/12/825345412.db2.gz FPNQUUQNCJUDAZ-VXGBXAGGSA-N 2 0 292.452 1.587 10 0 CDAERP C[C@H]1C[N@H+](CCCc2cncn2C)CC[C@H]1C[NH3+] ZINC000923488115 825350546 /nfs/dbraw/zinc/35/05/46/825350546.db2.gz DKHGEOQIEMBXLH-STQMWFEESA-N 2 0 250.390 1.269 10 0 CDAERP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000868625674 825369208 /nfs/dbraw/zinc/36/92/08/825369208.db2.gz AZTXTMIEKVMOBF-KFWWJZLASA-N 2 0 296.459 1.451 10 0 CDAERP CC[N@@H+]1CC[C@H](C[NH2+]C2CCC(CNC(C)=O)CC2)C1 ZINC000865417685 825501115 /nfs/dbraw/zinc/50/11/15/825501115.db2.gz TVHQNOZDIFGPMU-HWOWSKLDSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@H]([NH3+])C1CC[NH+](C[C@@H](O)CC2CCCC2)CC1 ZINC000232121590 825542308 /nfs/dbraw/zinc/54/23/08/825542308.db2.gz NYLFDVLMVZTSED-WFASDCNBSA-N 2 0 254.418 1.987 10 0 CDAERP [NH3+]CCCCCCC[NH+]1CCC(Cn2cnnc2)CC1 ZINC000846224325 825578246 /nfs/dbraw/zinc/57/82/46/825578246.db2.gz LDKKTCTVCAIOQM-UHFFFAOYSA-N 2 0 279.432 1.899 10 0 CDAERP O[C@@H](C[NH2+][C@H]1CCc2nc[nH]c2C1)c1ccc(F)cc1F ZINC000819323287 825588939 /nfs/dbraw/zinc/58/89/39/825588939.db2.gz YXNOUWPDSGAPLA-BONVTDFDSA-N 2 0 293.317 1.868 10 0 CDAERP C[C@@]1(C(F)(F)F)CC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923420005 825595735 /nfs/dbraw/zinc/59/57/35/825595735.db2.gz HUVCAMFKJGXTJN-AATLWQCWSA-N 2 0 252.280 1.111 10 0 CDAERP C[C@H]1C[N@H+](CCCOC(F)(F)F)CC[C@H]1C[NH3+] ZINC000713385230 825613946 /nfs/dbraw/zinc/61/39/46/825613946.db2.gz UAMOFQFQPLEECY-UWVGGRQHSA-N 2 0 254.296 1.830 10 0 CDAERP Cc1nn(C)c(C)c1C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723901026 825625777 /nfs/dbraw/zinc/62/57/77/825625777.db2.gz MDZPZEBGNMNUDA-ZWNOBZJWSA-N 2 0 250.390 1.454 10 0 CDAERP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925726933 828810706 /nfs/dbraw/zinc/81/07/06/828810706.db2.gz MBWTWJNIEQSLQX-MXAVVETBSA-N 3 0 251.418 1.482 10 0 CDAERP CO[C@@H]1CCC[C@@H]([NH2+]CCCCCN2CC[NH2+]CC2)C1 ZINC000925845244 825709658 /nfs/dbraw/zinc/70/96/58/825709658.db2.gz FRFGCLTYOAJOTF-HZPDHXFCSA-N 2 0 283.460 1.609 10 0 CDAERP Cc1ccncc1[C@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925814864 825715439 /nfs/dbraw/zinc/71/54/39/825715439.db2.gz LWAIJLJQJLJTER-ZDUSSCGKSA-N 2 0 262.401 1.464 10 0 CDAERP Cc1csc(C[C@@H]2CC[N@H+](C[C@H]3CC[NH2+]C3)C2)n1 ZINC000923551216 825790353 /nfs/dbraw/zinc/79/03/53/825790353.db2.gz LBPMHAHLGPWCDK-STQMWFEESA-N 2 0 265.426 1.925 10 0 CDAERP C[N@@H+](Cc1cccc(O)c1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923305278 825804919 /nfs/dbraw/zinc/80/49/19/825804919.db2.gz WSFNPKHZOOUOMP-CQSZACIVSA-N 2 0 262.353 1.203 10 0 CDAERP COC[C@@H](C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1)OC ZINC000866710339 825805214 /nfs/dbraw/zinc/80/52/14/825805214.db2.gz YSMYTOVQDNNVOB-TZMCWYRMSA-N 2 0 258.406 1.345 10 0 CDAERP C([C@H]1CCC2(CCC2)O1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000712455046 825821354 /nfs/dbraw/zinc/82/13/54/825821354.db2.gz ZOWGVVHZSZGTFO-KGLIPLIRSA-N 2 0 250.386 1.774 10 0 CDAERP C[C@H](C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)N1CC[NH+](C)CC1 ZINC000925491852 825824578 /nfs/dbraw/zinc/82/45/78/825824578.db2.gz GIVKHCJRXNTUJR-ILXRZTDVSA-N 3 0 282.476 1.118 10 0 CDAERP CCc1csc(NC(=O)NCCN2CCC([NH3+])CC2)n1 ZINC000926045586 825827894 /nfs/dbraw/zinc/82/78/94/825827894.db2.gz JDYMSTCQOJEUAG-UHFFFAOYSA-N 2 0 297.428 1.250 10 0 CDAERP Cc1cc([C@@H]([NH3+])CC(=O)NC[C@@H]([NH3+])C2CC2)cc(Cl)n1 ZINC000834408946 825854698 /nfs/dbraw/zinc/85/46/98/825854698.db2.gz YILAOLLCHRXQJG-NWDGAFQWSA-N 2 0 296.802 1.287 10 0 CDAERP C[NH+](C)CCCC1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000838908749 825880919 /nfs/dbraw/zinc/88/09/19/825880919.db2.gz LREMPYLPPZQMAU-OAHLLOKOSA-N 2 0 254.418 1.811 10 0 CDAERP Cn1nc2c(c1C[NH2+]C1CCC([NH+](C)C)CC1)CCC2 ZINC000922192521 825885345 /nfs/dbraw/zinc/88/53/45/825885345.db2.gz PRFUAEDIRNITDP-UHFFFAOYSA-N 2 0 276.428 1.871 10 0 CDAERP CC(C)(C)C[N@H+](CCCO)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923311225 825885753 /nfs/dbraw/zinc/88/57/53/825885753.db2.gz IJZUBZNZPNQTCA-CYBMUJFWSA-N 2 0 270.417 1.095 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=[NH2+])NC1CCCC1 ZINC000848987591 825902669 /nfs/dbraw/zinc/90/26/69/825902669.db2.gz JKYOAXCRCMTTRA-GFCCVEGCSA-N 2 0 252.406 1.917 10 0 CDAERP [NH2+]=C(NCC[NH+]1CCCCC1)NC1CCCCC1 ZINC000052048209 825944415 /nfs/dbraw/zinc/94/44/15/825944415.db2.gz SGKADBBQWRHQCP-UHFFFAOYSA-N 2 0 252.406 1.919 10 0 CDAERP C[C@H]1CC[C@@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C[NH2+]1 ZINC000861563575 825947333 /nfs/dbraw/zinc/94/73/33/825947333.db2.gz UYWYPIDENOGSOL-GXTWGEPZSA-N 2 0 296.459 1.689 10 0 CDAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000381071160 825957123 /nfs/dbraw/zinc/95/71/23/825957123.db2.gz PDTMJVZPMOFSCM-XJKSGUPXSA-N 2 0 289.423 1.751 10 0 CDAERP COC(=O)[C@H]1CCC[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923374426 826026706 /nfs/dbraw/zinc/02/67/06/826026706.db2.gz TVELVVYRPVNJGF-WTUNAVPPSA-N 2 0 266.385 1.545 10 0 CDAERP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923500958 826052390 /nfs/dbraw/zinc/05/23/90/826052390.db2.gz SMMINXORKFLFOW-RWMBFGLXSA-N 2 0 269.433 1.596 10 0 CDAERP CC(C)[C@@H]1COCC[C@@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000925215810 826242549 /nfs/dbraw/zinc/24/25/49/826242549.db2.gz PGCVLBLYCOKGNV-IRXDYDNUSA-N 2 0 297.487 1.663 10 0 CDAERP FC(F)(F)[C@@H]1CN(C[C@H]2CCC[NH2+]C2)CCS1 ZINC000721459266 826244630 /nfs/dbraw/zinc/24/46/30/826244630.db2.gz YSMPCQAQTNNKIN-UWVGGRQHSA-N 2 0 268.348 1.966 10 0 CDAERP CCO[C@H]1C[C@H]([NH2+]CCN2CCC([NH3+])CC2)C12CCCC2 ZINC000925813612 826249866 /nfs/dbraw/zinc/24/98/66/826249866.db2.gz XMKFLLTVNJOWFL-HOTGVXAUSA-N 2 0 295.471 1.737 10 0 CDAERP [NH3+]CCCCCCNC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000843505770 826302761 /nfs/dbraw/zinc/30/27/61/826302761.db2.gz MEJXMDATUIFEMC-UONOGXRCSA-N 2 0 269.433 1.919 10 0 CDAERP [NH3+][C@H]1CC[C@H](C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)CC1 ZINC000870852712 826347940 /nfs/dbraw/zinc/34/79/40/826347940.db2.gz LOELVWRGTXROKT-AJNGGQMLSA-N 2 0 279.428 1.495 10 0 CDAERP CC(C)[NH+](CCNC(=O)[C@]12CCC[C@H]1[NH2+]CC2)C(C)C ZINC000711380828 826355757 /nfs/dbraw/zinc/35/57/57/826355757.db2.gz QZJUTTSYIULSNE-ZBFHGGJFSA-N 2 0 281.444 1.754 10 0 CDAERP C[N@@H+]1CC[C@]2(CC[NH+](CC[C@@H]3COC(C)(C)O3)C2)C1 ZINC000852078017 826373932 /nfs/dbraw/zinc/37/39/32/826373932.db2.gz IRLYHOWNMMKOPG-HIFRSBDPSA-N 2 0 268.401 1.556 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)N(C)Cc2cccs2)CC[C@H]1C[NH3+] ZINC000923504666 826393278 /nfs/dbraw/zinc/39/32/78/826393278.db2.gz SKKCFWYPSOLSQO-OLZOCXBDSA-N 2 0 295.452 1.623 10 0 CDAERP CC1(C)[C@H]([NH2+]C[C@]2(C)CCOC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925485928 826396214 /nfs/dbraw/zinc/39/62/14/826396214.db2.gz FHAYWEFLXGWNEU-COMQUAJESA-N 2 0 252.402 1.779 10 0 CDAERP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262056530 826490912 /nfs/dbraw/zinc/49/09/12/826490912.db2.gz QSXORCCFYJOJCL-HOTGVXAUSA-N 3 0 283.460 1.419 10 0 CDAERP NC(=O)Cc1cccc2c1CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC000866685152 826540033 /nfs/dbraw/zinc/54/00/33/826540033.db2.gz ZXIUJNIQBVAGHS-UHFFFAOYSA-N 2 0 287.407 1.072 10 0 CDAERP C[NH+](C)C1(C)CCC([NH2+]C[C@@H](O)c2ccccn2)CC1 ZINC000872229416 826672470 /nfs/dbraw/zinc/67/24/70/826672470.db2.gz QOAFVPFUBALSHV-OGVSOVDVSA-N 2 0 277.412 1.968 10 0 CDAERP CCCCCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](C)C[C@H]21 ZINC000816952207 826737233 /nfs/dbraw/zinc/73/72/33/826737233.db2.gz FKTJPUPOVKFUSC-LSDHHAIUSA-N 2 0 281.444 1.661 10 0 CDAERP COCC[C@@H]1CCC[C@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925810706 826784984 /nfs/dbraw/zinc/78/49/84/826784984.db2.gz FQTUVYXBOIGFQU-DZGCQCFKSA-N 2 0 269.433 1.204 10 0 CDAERP CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000925334191 826807850 /nfs/dbraw/zinc/80/78/50/826807850.db2.gz KFMGDUXRSHCMLZ-KBPBESRZSA-N 2 0 284.448 1.452 10 0 CDAERP COCC[N@H+](CC1CC[NH+](C)CC1)C[C@H]1CCC[NH2+]C1 ZINC000866672544 826832536 /nfs/dbraw/zinc/83/25/36/826832536.db2.gz KXSGLVDOCOSGBP-INIZCTEOSA-N 3 0 283.460 1.276 10 0 CDAERP CC[C@@H]1C[C@H]1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870017793 826846399 /nfs/dbraw/zinc/84/63/99/826846399.db2.gz RPSLVHQTKGKIRQ-KBUPBQIOSA-N 2 0 281.444 1.230 10 0 CDAERP C[C@@H](C(=O)N(C)c1ccccc1)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923504358 826855316 /nfs/dbraw/zinc/85/53/16/826855316.db2.gz QTTJHKJAXZHXLK-ILXRZTDVSA-N 2 0 289.423 1.955 10 0 CDAERP CC(C)[C@@H](C(=O)N1CC[N@H+](C)C(C)(C)CC1)[C@H](C)[NH3+] ZINC000712623909 826855455 /nfs/dbraw/zinc/85/54/55/826855455.db2.gz ZZAOCBIEMSSENI-QWHCGFSZSA-N 2 0 269.433 1.549 10 0 CDAERP C[C@H](C[NH2+][C@@H](C1CCC1)[C@@H]1CCCO1)N1CC[NH+](C)CC1 ZINC000866262015 826860696 /nfs/dbraw/zinc/86/06/96/826860696.db2.gz ZDBWDXPJNKJHEE-PVAVHDDUSA-N 2 0 295.471 1.560 10 0 CDAERP [NH3+][C@@H]1CCCCC[C@H]1NC[C@H]1C[NH2+]CCC1(F)F ZINC000925777129 826861916 /nfs/dbraw/zinc/86/19/16/826861916.db2.gz OGLQADUBOAJKSN-IJLUTSLNSA-N 2 0 261.360 1.481 10 0 CDAERP COC(=O)c1cc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])n(C)c1C ZINC000925769298 826869957 /nfs/dbraw/zinc/86/99/57/826869957.db2.gz OHMMDVWCPJXDIR-IUODEOHRSA-N 2 0 293.411 1.727 10 0 CDAERP COCCOC[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925569868 826872827 /nfs/dbraw/zinc/87/28/27/826872827.db2.gz APFLRKOJUDDCRU-XQQFMLRXSA-N 2 0 258.406 1.534 10 0 CDAERP CCO[C@H](CN[C@H](Cc1ccccc1)[C@@H](C)[NH3+])C[NH+](C)C ZINC000925841947 826877294 /nfs/dbraw/zinc/87/72/94/826877294.db2.gz VJJQHJAEPRNDAU-DJIMGWMZSA-N 2 0 293.455 1.501 10 0 CDAERP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000924700057 826880280 /nfs/dbraw/zinc/88/02/80/826880280.db2.gz VUMBQIATQRJBCV-XPABHHOTSA-N 2 0 252.402 1.874 10 0 CDAERP C[NH+](C)CCCCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000813451487 826884216 /nfs/dbraw/zinc/88/42/16/826884216.db2.gz OEMPDPRDUPTVIX-HNNXBMFYSA-N 2 0 287.423 1.657 10 0 CDAERP C/C=C(/C)C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000855346217 826896166 /nfs/dbraw/zinc/89/61/66/826896166.db2.gz RYNFTWBABURBKD-OTAKNEKHSA-N 2 0 255.406 1.341 10 0 CDAERP CC[C@@H]1C[C@@H](C[N@H+](C)CCN2CC[NH2+]CC2)CCO1 ZINC000843052594 827023163 /nfs/dbraw/zinc/02/31/63/827023163.db2.gz OEKLDSANDXFRNN-LSDHHAIUSA-N 2 0 269.433 1.029 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@@H](O)c2ccccc21 ZINC000854229203 827047959 /nfs/dbraw/zinc/04/79/59/827047959.db2.gz HZCFTYLZMDVKTN-ORDIRQJYSA-N 2 0 276.380 1.507 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000925341006 827072935 /nfs/dbraw/zinc/07/29/35/827072935.db2.gz LREOVJJZLCSELH-RDBSUJKOSA-N 2 0 282.432 1.203 10 0 CDAERP CC[NH+](CC)CCC[N@@H+]1[C@H](C)CC[C@@H](C(N)=O)[C@@H]1C ZINC000930912078 827247523 /nfs/dbraw/zinc/24/75/23/827247523.db2.gz RZZBVUPHNJHNMC-HZSPNIEDSA-N 2 0 269.433 1.693 10 0 CDAERP CC1(C)[C@@H]([NH2+][C@H]2CCc3n[nH]cc3C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925585752 827321601 /nfs/dbraw/zinc/32/16/01/827321601.db2.gz WMGJYENWNIDTNR-NEBZKDRISA-N 2 0 274.412 1.633 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)N2CCCCCC2)CC[C@H]1C[NH3+] ZINC000251615906 827349210 /nfs/dbraw/zinc/34/92/10/827349210.db2.gz DRPFMOAHULIXBM-KGLIPLIRSA-N 2 0 267.417 1.306 10 0 CDAERP CC(C)C[C@H]([NH2+][C@@H]1CO[C@H](C)[C@H]1C)C(=O)NCC[NH+](C)C ZINC000925952557 827355510 /nfs/dbraw/zinc/35/55/10/827355510.db2.gz JWEQQRCLXZVMHB-APIJFGDWSA-N 2 0 299.459 1.092 10 0 CDAERP CC(C)(O)C[C@@H](O)C[NH2+]CCCCC[NH+]1CCCC1 ZINC000872208750 827358967 /nfs/dbraw/zinc/35/89/67/827358967.db2.gz CKUHPJZKOUTVKY-CQSZACIVSA-N 2 0 272.433 1.364 10 0 CDAERP CN(CCC[N@H+](C)Cc1ccnc(F)c1)CC[NH+](C)C ZINC000859304157 827393096 /nfs/dbraw/zinc/39/30/96/827393096.db2.gz GOQDEXAAQWUOFI-UHFFFAOYSA-N 2 0 282.407 1.536 10 0 CDAERP COC(=O)[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000931547123 827486370 /nfs/dbraw/zinc/48/63/70/827486370.db2.gz CAXCABWVAKZRTK-FPCVCCKLSA-N 2 0 294.439 1.992 10 0 CDAERP CNC(=O)NC[C@H]1CCCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000866685755 827489319 /nfs/dbraw/zinc/48/93/19/827489319.db2.gz XDPZLWBMHVUBQS-CQSZACIVSA-N 2 0 282.432 1.160 10 0 CDAERP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925700905 827646623 /nfs/dbraw/zinc/64/66/23/827646623.db2.gz UBEUAWMWYQHPSU-XUXIUFHCSA-N 3 0 251.418 1.611 10 0 CDAERP CC1(C)[NH2+]CC[C@@H]1NCC[C@H]([NH3+])Cc1ccccc1 ZINC000925725468 827675097 /nfs/dbraw/zinc/67/50/97/827675097.db2.gz LAXQDVVJEWRFGZ-GJZGRUSLSA-N 2 0 261.413 1.677 10 0 CDAERP CC(C)N1CCC[C@H]([N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)C1=O ZINC000923495819 827677740 /nfs/dbraw/zinc/67/77/40/827677740.db2.gz FKWXEXKPHLISPW-MCIONIFRSA-N 2 0 267.417 1.303 10 0 CDAERP Cc1cncn1CC(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000858671742 827686668 /nfs/dbraw/zinc/68/66/68/827686668.db2.gz NGRIVNFWJAXQMI-CYBMUJFWSA-N 2 0 264.373 1.182 10 0 CDAERP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CC[C@@]3(CCc4ccccc43)C2)C1 ZINC000923420025 827701848 /nfs/dbraw/zinc/70/18/48/827701848.db2.gz IKMIVOXXLHDSGI-HJWJTTGWSA-N 2 0 272.392 1.427 10 0 CDAERP CC(C)(C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)N1CCOCC1 ZINC000925502152 827732789 /nfs/dbraw/zinc/73/27/89/827732789.db2.gz GACXJBKIXQRJML-ILXRZTDVSA-N 2 0 295.471 1.463 10 0 CDAERP CC[C@H](CN1CCOCC1)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925824286 827773315 /nfs/dbraw/zinc/77/33/15/827773315.db2.gz WOSWSZCGOSVESR-RRFJBIMHSA-N 2 0 283.460 1.593 10 0 CDAERP CCc1noc([C@H](C)[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)n1 ZINC000923502235 827813666 /nfs/dbraw/zinc/81/36/66/827813666.db2.gz YFRDMJJQHCPEBR-OUAUKWLOSA-N 2 0 252.362 1.610 10 0 CDAERP O=C1O[C@H](C[NH2+][C@H]2CC[C@H]2C2CC2)CC12CC[NH2+]CC2 ZINC000925851877 827823400 /nfs/dbraw/zinc/82/34/00/827823400.db2.gz SVZMUGYAFPNIRO-IHRRRGAJSA-N 2 0 278.396 1.450 10 0 CDAERP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)[C@H]1CCC[NH2+]C1 ZINC000925696314 827856682 /nfs/dbraw/zinc/85/66/82/827856682.db2.gz ZEXIUOPFXMAULD-IGQOVBAYSA-N 3 0 253.434 1.870 10 0 CDAERP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCc1ncn(C)n1 ZINC000647801505 827865071 /nfs/dbraw/zinc/86/50/71/827865071.db2.gz WWJDBOYALZFQDM-KBPBESRZSA-N 2 0 279.432 1.648 10 0 CDAERP O=C(CCCC[NH+]1CCCC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000844197876 827875953 /nfs/dbraw/zinc/87/59/53/827875953.db2.gz ZXNCEJPTNOPTEE-QGZVFWFLSA-N 2 0 293.455 1.855 10 0 CDAERP CN1C[C@H](CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1=O ZINC000723581749 827882406 /nfs/dbraw/zinc/88/24/06/827882406.db2.gz GPKKMDWDNCLUEI-RDBSUJKOSA-N 2 0 265.401 1.071 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000852873663 827898804 /nfs/dbraw/zinc/89/88/04/827898804.db2.gz BSTFVOAJVYBUJL-CABCVRRESA-N 2 0 277.412 1.287 10 0 CDAERP C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000720909369 827928085 /nfs/dbraw/zinc/92/80/85/827928085.db2.gz WPKZZHSKDAURQZ-SYQHCUMBSA-N 2 0 265.401 1.199 10 0 CDAERP C[C@H]([NH2+]CCOCC[NH+](C)C)c1ccnn1CC1CCC1 ZINC000926256034 827963900 /nfs/dbraw/zinc/96/39/00/827963900.db2.gz ORZFZMDOIOFRDY-AWEZNQCLSA-N 2 0 294.443 1.912 10 0 CDAERP CC(C)n1ccnc1C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723893718 828018735 /nfs/dbraw/zinc/01/87/35/828018735.db2.gz CDTLSGZPCMSUAI-CHWSQXEVSA-N 2 0 250.390 1.881 10 0 CDAERP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@@H]1C[C@H]3CCC[C@H]3O1)C2 ZINC000720830793 828022111 /nfs/dbraw/zinc/02/21/11/828022111.db2.gz QHPSWIZLCXABLY-GZBLMMOJSA-N 2 0 250.386 1.485 10 0 CDAERP CC(C)OC[C@@H](O)C[NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000871973671 828034586 /nfs/dbraw/zinc/03/45/86/828034586.db2.gz DXDIINXMNDDUJY-JYJNAYRXSA-N 2 0 286.460 1.730 10 0 CDAERP CNC(=O)CC1(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)CCCCC1 ZINC000925715078 828076160 /nfs/dbraw/zinc/07/61/60/828076160.db2.gz CJROOJATZBDDEB-KGLIPLIRSA-N 2 0 293.455 1.933 10 0 CDAERP Cn1ccnc1[C@@H]1CCC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262016465 828116193 /nfs/dbraw/zinc/11/61/93/828116193.db2.gz MTEKXGAHYQEVRC-UKRRQHHQSA-N 2 0 262.401 1.599 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2NC1CC[NH+](CC2CC2)CC1 ZINC000924713628 828201765 /nfs/dbraw/zinc/20/17/65/828201765.db2.gz ROXDFBNVODNAQZ-FKEKPDDDSA-N 3 0 277.456 1.791 10 0 CDAERP C[C@@H]1C[N@@H+]([C@H]2CCN(C3CCC3)C2=O)CC[C@H]1C[NH3+] ZINC000923491568 828306674 /nfs/dbraw/zinc/30/66/74/828306674.db2.gz TUKRFSALACOAGH-DYEKYZERSA-N 2 0 265.401 1.057 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)NCCCCCCC[NH+](C)C)C[NH2+]1 ZINC000861566437 828314456 /nfs/dbraw/zinc/31/44/56/828314456.db2.gz LGGIYCHALVRMJT-CABCVRRESA-N 2 0 298.475 1.938 10 0 CDAERP CCN(CC[NH2+]C[C@H]1CCOC1)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001568749048 1167542538 /nfs/dbraw/zinc/54/25/38/1167542538.db2.gz BSPIJEZOJJYYCP-CABCVRRESA-N 2 0 299.459 1.047 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]CCOC ZINC001566535143 1167972797 /nfs/dbraw/zinc/97/27/97/1167972797.db2.gz NWPRRUPWFKFZIW-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)NCCC[N@H+](C)CCF)CC1 ZINC001566505796 1168313746 /nfs/dbraw/zinc/31/37/46/1168313746.db2.gz XZMFZCZSDKVKTF-UHFFFAOYSA-N 2 0 287.423 1.514 10 0 CDAERP CC[N@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001566743882 1168406326 /nfs/dbraw/zinc/40/63/26/1168406326.db2.gz SHVGXUNEAWOPFK-ZDUSSCGKSA-N 2 0 255.406 1.128 10 0 CDAERP O=C(CCC[NH+]1CCCC1)N1CCC[C@@H](C[NH2+]CCF)C1 ZINC001566913260 1168465406 /nfs/dbraw/zinc/46/54/06/1168465406.db2.gz NYTJLDIZWOUPGX-HNNXBMFYSA-N 2 0 299.434 1.660 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001266288176 894157592 /nfs/dbraw/zinc/15/75/92/894157592.db2.gz BNTDRTLZDMGQFR-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP CC[N@H+](C)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001266288984 894167952 /nfs/dbraw/zinc/16/79/52/894167952.db2.gz XIHOAQRTGSFGNW-STQMWFEESA-N 2 0 253.390 1.071 10 0 CDAERP CC(C)Cc1noc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)n1 ZINC000723894223 896257011 /nfs/dbraw/zinc/25/70/11/896257011.db2.gz JYYIFBYLQOLPRU-VXGBXAGGSA-N 2 0 266.389 1.685 10 0 CDAERP CCCCC[NH2+][C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001266972050 896471443 /nfs/dbraw/zinc/47/14/43/896471443.db2.gz SYNAYTRGQZWDQW-UONOGXRCSA-N 2 0 269.433 1.613 10 0 CDAERP CC[C@H](C(=O)N(C)CC[NH2+]Cc1ccc(F)cn1)[NH+](C)C ZINC001266989395 896506997 /nfs/dbraw/zinc/50/69/97/896506997.db2.gz XARNOBJWVWNPRW-CQSZACIVSA-N 2 0 296.390 1.109 10 0 CDAERP CC(C)[NH2+]CCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001267109365 896814833 /nfs/dbraw/zinc/81/48/33/896814833.db2.gz GUNAKALUDKWZLM-STQMWFEESA-N 2 0 255.406 1.316 10 0 CDAERP CCOCC[N@H+](C)CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001480928936 897389099 /nfs/dbraw/zinc/38/90/99/897389099.db2.gz SIFSYCJJABSZBE-UHFFFAOYSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)[C@H](C(=O)N(C)[C@@H](C[NH2+]CCF)C1CC1)[NH+](C)C ZINC001283532685 897583803 /nfs/dbraw/zinc/58/38/03/897583803.db2.gz PDTUBZPXPLLKGV-UONOGXRCSA-N 2 0 287.423 1.369 10 0 CDAERP CC(C)CCC[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001481268007 899736863 /nfs/dbraw/zinc/73/68/63/899736863.db2.gz PXTWKOBFILRTIK-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CCCC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001267809371 899783738 /nfs/dbraw/zinc/78/37/38/899783738.db2.gz KJVGXOSQFLDBJY-UONOGXRCSA-N 2 0 269.433 1.755 10 0 CDAERP CCC[NH2+]CCC1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001267916552 899967818 /nfs/dbraw/zinc/96/78/18/899967818.db2.gz CNAJPIIAQNWASF-UHFFFAOYSA-N 2 0 283.460 1.957 10 0 CDAERP COCC[NH2+]C[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001267987210 900197697 /nfs/dbraw/zinc/19/76/97/900197697.db2.gz SJMVQSHRHIZJME-CQSZACIVSA-N 2 0 299.459 1.239 10 0 CDAERP Cc1nccn1CCCC[N@@H+]1CC[C@@]2(CCOC2=O)C1 ZINC001177001917 914427388 /nfs/dbraw/zinc/42/73/88/914427388.db2.gz HSCAPDFFNGWVIH-OAHLLOKOSA-N 2 0 277.368 1.611 10 0 CDAERP CC[C@H](C(=O)N(C)CC[NH2+]Cc1ccsc1)[NH+](C)C ZINC001481303876 900280293 /nfs/dbraw/zinc/28/02/93/900280293.db2.gz DTVOYTLZYIMSPP-CYBMUJFWSA-N 2 0 283.441 1.636 10 0 CDAERP CCC[N@@H+]1CC[C@@H](CCNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001481458500 900735309 /nfs/dbraw/zinc/73/53/09/900735309.db2.gz PCCVVRQTCUCNBD-HUUCEWRRSA-N 2 0 281.444 1.566 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001481703431 901844864 /nfs/dbraw/zinc/84/48/64/901844864.db2.gz IXHKGNRMISAKMS-ZNMIVQPWSA-N 2 0 283.460 1.809 10 0 CDAERP C[C@@H]1CC[N@H+](C[C@H](O)CC2CCCC2)C[C@@H]1C[NH3+] ZINC000300072644 901885717 /nfs/dbraw/zinc/88/57/17/901885717.db2.gz SPQTUNCLTDWPDK-VHDGCEQUSA-N 2 0 254.418 1.844 10 0 CDAERP CCC[NH2+][C@@H](CC)CNC(=O)Cn1cncc1C ZINC001481836199 902195010 /nfs/dbraw/zinc/19/50/10/902195010.db2.gz YDNGSEVWKRWKAT-LBPRGKRZSA-N 2 0 252.362 1.086 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@@](C)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001481950609 902397296 /nfs/dbraw/zinc/39/72/96/902397296.db2.gz JETYONIAFWHBRF-XJKSGUPXSA-N 2 0 299.434 1.705 10 0 CDAERP CCCCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001482084593 902622766 /nfs/dbraw/zinc/62/27/66/902622766.db2.gz JPKCPGPZSRLPOO-KGLIPLIRSA-N 2 0 269.433 1.613 10 0 CDAERP CC(C)[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001482100308 902643712 /nfs/dbraw/zinc/64/37/12/902643712.db2.gz CKLZHHXHAUAMGC-GXTWGEPZSA-N 2 0 267.417 1.079 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001268666818 902923395 /nfs/dbraw/zinc/92/33/95/902923395.db2.gz CBSFUQHSOUCKHC-OAHLLOKOSA-N 2 0 283.460 1.859 10 0 CDAERP CN(CCC[NH2+]Cc1ccccc1F)C(=O)CC[NH+](C)C ZINC001268836962 903167321 /nfs/dbraw/zinc/16/73/21/903167321.db2.gz YPEHOFJOPWUJDE-UHFFFAOYSA-N 2 0 295.402 1.716 10 0 CDAERP CCCC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001269378965 903759614 /nfs/dbraw/zinc/75/96/14/903759614.db2.gz ZJINLSVAWZJDPD-OLZOCXBDSA-N 2 0 255.406 1.365 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC1CCC1 ZINC001269511218 903875480 /nfs/dbraw/zinc/87/54/80/903875480.db2.gz XQDCPMQIBNXAPM-UONOGXRCSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CC2CC2)CCN1C(=O)CC[NH+](C)C ZINC001269960917 904236270 /nfs/dbraw/zinc/23/62/70/904236270.db2.gz SPWDVDODLWUKQZ-TZMCWYRMSA-N 2 0 267.417 1.317 10 0 CDAERP CCCCC[N@@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001270624379 904834671 /nfs/dbraw/zinc/83/46/71/904834671.db2.gz PGTTXOLCHMYJHN-HNNXBMFYSA-N 2 0 269.433 1.709 10 0 CDAERP CC(C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]C/C=C\Cl ZINC001482518174 906745073 /nfs/dbraw/zinc/74/50/73/906745073.db2.gz NLTJTQRUHRCGDE-REPZICSESA-N 2 0 287.835 1.564 10 0 CDAERP Cc1oncc1C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001482817586 908404313 /nfs/dbraw/zinc/40/43/13/908404313.db2.gz YVFRSLAHKOGLLN-RISCZKNCSA-N 2 0 294.399 1.062 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CC[NH2+]Cc1nccs1 ZINC001482900979 908465641 /nfs/dbraw/zinc/46/56/41/908465641.db2.gz IBSOXHVUAJWXGG-GFCCVEGCSA-N 2 0 298.456 1.468 10 0 CDAERP CC[NH+]1CCC(C[NH2+]CCOC2CCOCC2)CC1 ZINC000701395174 921478029 /nfs/dbraw/zinc/47/80/29/921478029.db2.gz MCZRKGJGOUMDIS-UHFFFAOYSA-N 2 0 270.417 1.504 10 0 CDAERP C[C@@H](C(=O)NC/C=C/C[NH2+]CCF)[NH+]1CCCCCC1 ZINC001483069362 909261955 /nfs/dbraw/zinc/26/19/55/909261955.db2.gz MDPMDTLDLBYAFV-NNTXTVRGSA-N 2 0 285.407 1.482 10 0 CDAERP CC(C)CN1CCC([NH2+]C2CC(S(C)(=O)=O)C2)CC1 ZINC000715213864 909861102 /nfs/dbraw/zinc/86/11/02/909861102.db2.gz PONLIASUJAFMTN-UHFFFAOYSA-N 2 0 288.457 1.272 10 0 CDAERP CCC[NH2+]C[C@H](NC(=O)C[N@H+](C)C1CCC1)C1CC1 ZINC001483566372 911262981 /nfs/dbraw/zinc/26/29/81/911262981.db2.gz OJTHLAZQJKSUDO-AWEZNQCLSA-N 2 0 267.417 1.365 10 0 CDAERP C[NH+](C)CC1(C(=O)N2CCC[C@@H]2C[NH2+]C/C=C\Cl)CC1 ZINC001483941894 915216920 /nfs/dbraw/zinc/21/69/20/915216920.db2.gz GXBIEGLROVNVDN-IBSXUBTNSA-N 2 0 299.846 1.661 10 0 CDAERP CC(C)OCC[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+](C)C(C)C ZINC001483957975 915226251 /nfs/dbraw/zinc/22/62/51/915226251.db2.gz DNHVATDGZNOBIC-HNNXBMFYSA-N 2 0 299.459 1.332 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CCCC1 ZINC001484007201 915285053 /nfs/dbraw/zinc/28/50/53/915285053.db2.gz UXLUGGSSWCLHOG-CABCVRRESA-N 2 0 281.444 1.755 10 0 CDAERP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+](CCOC2CCC2)C1 ZINC001484056388 915367749 /nfs/dbraw/zinc/36/77/49/915367749.db2.gz AQDANJSQFVDSFM-MRXNPFEDSA-N 2 0 297.443 1.088 10 0 CDAERP CCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001484065296 915385657 /nfs/dbraw/zinc/38/56/57/915385657.db2.gz LCCFEDINIOSMDE-XJKSGUPXSA-N 2 0 292.427 1.969 10 0 CDAERP CC[N@@H+]1CCC[C@](C)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001484174406 915491679 /nfs/dbraw/zinc/49/16/79/915491679.db2.gz PNWIRRVSROPOIW-GOEBONIOSA-N 2 0 281.444 1.566 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CC2CC2)C1 ZINC001484383460 915702922 /nfs/dbraw/zinc/70/29/22/915702922.db2.gz WWGMZXCOEGCHED-HIFRSBDPSA-N 2 0 281.444 1.422 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CC(C)C)CC2 ZINC001484581871 915899499 /nfs/dbraw/zinc/89/94/99/915899499.db2.gz QZICTABMUGGMOU-UHFFFAOYSA-N 2 0 295.471 1.909 10 0 CDAERP CC[NH2+][C@@H](C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001485002724 916359744 /nfs/dbraw/zinc/35/97/44/916359744.db2.gz QWRHQGMBICPYKV-UONOGXRCSA-N 2 0 269.433 1.611 10 0 CDAERP CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001273468446 916741051 /nfs/dbraw/zinc/74/10/51/916741051.db2.gz ZKBLOSKWXSEXGZ-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)[N@H+](C)CCCF ZINC001485319189 916803629 /nfs/dbraw/zinc/80/36/29/916803629.db2.gz MHIRRQARUYPCDE-CQSZACIVSA-N 2 0 299.434 1.659 10 0 CDAERP CC[NH+]1CC([C@@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001485526723 917065353 /nfs/dbraw/zinc/06/53/53/917065353.db2.gz NLXZZPYVFZKHCR-KGLIPLIRSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)=CC[NH+]1CC([C@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001485540024 917069198 /nfs/dbraw/zinc/06/91/98/917069198.db2.gz QGEZNLBCEIODSW-AWEZNQCLSA-N 2 0 281.444 1.729 10 0 CDAERP C[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C[NH2+]CCF)C2)CC1 ZINC001486209986 920821270 /nfs/dbraw/zinc/82/12/70/920821270.db2.gz GBDLGWJQMUBJDH-OCCSQVGLSA-N 2 0 285.407 1.172 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC2CCC(C)([NH+]3CCC3)CC2)C1 ZINC001413746519 936723166 /nfs/dbraw/zinc/72/31/66/936723166.db2.gz LLPRQHALLAZSOB-HPUBIQBYSA-N 2 0 293.455 1.851 10 0 CDAERP CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001490982831 936837570 /nfs/dbraw/zinc/83/75/70/936837570.db2.gz MSGASOBGVSXFPH-GJZGRUSLSA-N 2 0 293.455 1.661 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001491025722 936843967 /nfs/dbraw/zinc/84/39/67/936843967.db2.gz NOPBKVZDEFOVSK-BETUJISGSA-N 2 0 267.417 1.508 10 0 CDAERP C(C[N@@H+]1[C@@H]2CC[C@H]1C[NH2+]CC2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923332602 923750783 /nfs/dbraw/zinc/75/07/83/923750783.db2.gz SHYCEFKSVCAMBF-BMRXWSCTSA-N 3 0 263.429 1.733 10 0 CDAERP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)C1([NH+](C)C)CCCC1 ZINC001141467187 936877700 /nfs/dbraw/zinc/87/77/00/936877700.db2.gz NYKNOGWFWIAAOM-OLZOCXBDSA-N 2 0 267.417 1.412 10 0 CDAERP O=C(NCCC[NH+]1CCCC1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001119594321 925416600 /nfs/dbraw/zinc/41/66/00/925416600.db2.gz RBEAKQJNLFHLQA-HUUCEWRRSA-N 2 0 279.428 1.605 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001442128716 937027343 /nfs/dbraw/zinc/02/73/43/937027343.db2.gz CYPVVWSOXCZJAX-ZIAGYGMSSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)C[NH2+][C@H]1C[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001488850515 926721800 /nfs/dbraw/zinc/72/18/00/926721800.db2.gz CWJAPYNLUUUFRA-JOCQHMNTSA-N 2 0 255.406 1.079 10 0 CDAERP O=C(CC[NH+]1CCCCC1)NC[C@H]1C[C@H]([NH2+]CCCF)C1 ZINC001488879349 926748161 /nfs/dbraw/zinc/74/81/61/926748161.db2.gz BMMUGGJMXPZMNZ-SHTZXODSSA-N 2 0 299.434 1.706 10 0 CDAERP COC[C@H](C)[N@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001437570446 926803275 /nfs/dbraw/zinc/80/32/75/926803275.db2.gz OWMIPUYFPQWASN-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP COCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001490305160 927092346 /nfs/dbraw/zinc/09/23/46/927092346.db2.gz DNAFIHRIZXQSHZ-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP CCCC[NH+]1CCC([C@@H](C)NC(=O)CC[NH+](C)C)CC1 ZINC001411229719 927272843 /nfs/dbraw/zinc/27/28/43/927272843.db2.gz LTUVPELZDQVLST-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(OC)OC)C[C@@H]1C ZINC000851796453 927630844 /nfs/dbraw/zinc/63/08/44/927630844.db2.gz FHISWNZLBSDCJM-QWHCGFSZSA-N 2 0 258.406 1.800 10 0 CDAERP c1c(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)sc2c1C[NH2+]CC2 ZINC000690350812 927789820 /nfs/dbraw/zinc/78/98/20/927789820.db2.gz YBHUFDNMTHJSPI-AAEUAGOBSA-N 2 0 278.421 1.862 10 0 CDAERP CCOC[C@@H](O)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000692873003 937235339 /nfs/dbraw/zinc/23/53/39/937235339.db2.gz NKCAYXPYVUSTTM-CABCVRRESA-N 2 0 270.417 1.095 10 0 CDAERP C[C@H](C(=O)N1CCC([NH+](C)C)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000130174711 930082550 /nfs/dbraw/zinc/08/25/50/930082550.db2.gz JQTNTGVFRSAICA-XJKSGUPXSA-N 2 0 289.423 1.875 10 0 CDAERP CCCCC[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001318120579 930149576 /nfs/dbraw/zinc/14/95/76/930149576.db2.gz AANARAPOJWEQMF-UKRRQHHQSA-N 2 0 281.444 1.565 10 0 CDAERP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000817496101 930542350 /nfs/dbraw/zinc/54/23/50/930542350.db2.gz ROUABLGSTYMNIV-XJKSGUPXSA-N 2 0 299.434 1.752 10 0 CDAERP CC(C)=CC[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001274280757 931487433 /nfs/dbraw/zinc/48/74/33/931487433.db2.gz OOZQDPLNKFGXRK-GJZGRUSLSA-N 2 0 291.439 1.485 10 0 CDAERP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC1CC1 ZINC001274720516 931558158 /nfs/dbraw/zinc/55/81/58/931558158.db2.gz XOFCMQWOCBWSMI-OUCADQQQSA-N 2 0 267.417 1.221 10 0 CDAERP CC(C)[NH2+]C[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001275334412 931738124 /nfs/dbraw/zinc/73/81/24/931738124.db2.gz MGJOPDJBCDBKKM-KBPBESRZSA-N 2 0 269.433 1.754 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001323226832 931761235 /nfs/dbraw/zinc/76/12/35/931761235.db2.gz PKGVHJIQXNIGIS-RBSFLKMASA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@H](C)[NH2+]CC1CC1 ZINC001275415941 931781737 /nfs/dbraw/zinc/78/17/37/931781737.db2.gz SAFHXEBVOVHDOI-NWDGAFQWSA-N 2 0 267.417 1.364 10 0 CDAERP C[C@H]1[C@@H](NC(=O)CC2(C[NH3+])CCCCC2)CC[N@@H+]1C ZINC000719394782 932033977 /nfs/dbraw/zinc/03/39/77/932033977.db2.gz WZTIFKANRJUXPH-STQMWFEESA-N 2 0 267.417 1.495 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H](CC[NH2+]CCF)C1 ZINC001326290765 932166188 /nfs/dbraw/zinc/16/61/88/932166188.db2.gz QEKYQECKEKCYPE-HUUCEWRRSA-N 2 0 299.434 1.659 10 0 CDAERP C[NH2+]CCCCC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000719727398 932244891 /nfs/dbraw/zinc/24/48/91/932244891.db2.gz GWLAHZAUOXJVFK-CYBMUJFWSA-N 2 0 255.406 1.176 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@@H]([NH+](C)C)C23CCC3)C1 ZINC001412389650 932405083 /nfs/dbraw/zinc/40/50/83/932405083.db2.gz AXBPOLICJGCNNZ-MGPQQGTHSA-N 2 0 279.428 1.317 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC001412436956 932429207 /nfs/dbraw/zinc/42/92/07/932429207.db2.gz XVMWGRNKZLOYPR-IJEWVQPXSA-N 2 0 293.455 1.707 10 0 CDAERP CN(CCC[NH2+]C/C=C/Cl)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001276076052 932494302 /nfs/dbraw/zinc/49/43/02/932494302.db2.gz JBABATYUIOXEGN-OQHXTRMZSA-N 2 0 287.835 1.661 10 0 CDAERP COCCC[NH2+]C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001326760362 932573981 /nfs/dbraw/zinc/57/39/81/932573981.db2.gz ABHASINWADRMND-OAHLLOKOSA-N 2 0 297.443 1.089 10 0 CDAERP C[C@H](F)CC[NH2+]CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001276209455 932644152 /nfs/dbraw/zinc/64/41/52/932644152.db2.gz VYNDYQFQVRCGSV-ZDUSSCGKSA-N 2 0 287.423 1.514 10 0 CDAERP C[NH+]1CCN(CCC[NH2+][C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000924577756 932801867 /nfs/dbraw/zinc/80/18/67/932801867.db2.gz HVIOTQUPTQBFSL-SJORKVTESA-N 2 0 294.487 1.230 10 0 CDAERP [NH3+]CCCCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC001118482827 937632291 /nfs/dbraw/zinc/63/22/91/937632291.db2.gz RMPPPAIFTVAFTF-HUUCEWRRSA-N 2 0 290.411 1.170 10 0 CDAERP Cc1noc([C@@H](C)ONC(=[NH2+])[C@@H]2CN(C(C)C)CCO2)n1 ZINC000779656304 934660463 /nfs/dbraw/zinc/66/04/63/934660463.db2.gz XHNSWTADRJMDFZ-KOLCDFICSA-N 2 0 297.359 1.047 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1(C)C ZINC001413196237 935942569 /nfs/dbraw/zinc/94/25/69/935942569.db2.gz XNPXNLFFIVYYMC-OLZOCXBDSA-N 2 0 283.460 1.809 10 0 CDAERP O=C(CC[N@H+]1CC[C@H](F)C1)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC001413222657 935956380 /nfs/dbraw/zinc/95/63/80/935956380.db2.gz MLXGCKCZYSDSEE-KKUMJFAQSA-N 2 0 297.418 1.553 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC001413337619 935992652 /nfs/dbraw/zinc/99/26/52/935992652.db2.gz SPHASANVEPMALJ-GDBMZVCRSA-N 2 0 295.471 1.812 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cncs1)[NH+](C)C ZINC001568645741 1169412581 /nfs/dbraw/zinc/41/25/81/1169412581.db2.gz KBGFHZIULXHWQS-WCQYABFASA-N 2 0 298.456 1.468 10 0 CDAERP CC[C@H](C(=O)N[C@H](C[NH2+]CC(C)C)C1CC1)[NH+](C)C ZINC001276612784 940434035 /nfs/dbraw/zinc/43/40/35/940434035.db2.gz YMQIGKNEYMLFLF-ZIAGYGMSSA-N 2 0 269.433 1.467 10 0 CDAERP CC1CC[NH+](CCN[C@@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000405360857 940984996 /nfs/dbraw/zinc/98/49/96/940984996.db2.gz UBITZRSVZDTPHQ-UONOGXRCSA-N 2 0 251.418 1.578 10 0 CDAERP CC(C)[C@H](C[NH2+][C@@H]1CO[C@H](C)[C@@H]1C)N1CC[NH+](C)CC1 ZINC000405570081 940992076 /nfs/dbraw/zinc/99/20/76/940992076.db2.gz GKPUKFQTORRXDE-JJXSEGSLSA-N 2 0 283.460 1.271 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)N(C)CC2CC[NH+](C)CC2)C1 ZINC001362056993 970826346 /nfs/dbraw/zinc/82/63/46/970826346.db2.gz NJOADJSMGIWHTE-MRXNPFEDSA-N 2 0 295.471 1.907 10 0 CDAERP CCC[NH2+]C[C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001277027418 941831891 /nfs/dbraw/zinc/83/18/91/941831891.db2.gz VLIZSUVTTRIBSA-HDJSIYSDSA-N 2 0 281.444 1.755 10 0 CDAERP CCC[N@H+]1CC=C(CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001279653829 942399280 /nfs/dbraw/zinc/39/92/80/942399280.db2.gz ILZTWZGBPSWNRG-UHFFFAOYSA-N 2 0 293.455 1.877 10 0 CDAERP CC1([NH2+]CCCF)CCN(C(=O)CCc2c[nH]cn2)CC1 ZINC001281497284 942585964 /nfs/dbraw/zinc/58/59/64/942585964.db2.gz IDKYQBMAEMASII-UHFFFAOYSA-N 2 0 296.390 1.673 10 0 CDAERP CC[C@H](C(=O)N1CCC(C)([NH2+]CCCOC)CC1)[NH+](C)C ZINC001281518679 942588139 /nfs/dbraw/zinc/58/81/39/942588139.db2.gz SHBSJOZMELCYQN-CQSZACIVSA-N 2 0 299.459 1.334 10 0 CDAERP COCCCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001282411558 942708450 /nfs/dbraw/zinc/70/84/50/942708450.db2.gz KANIYRSHMXSVKZ-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001283080070 942817213 /nfs/dbraw/zinc/81/72/13/942817213.db2.gz JBLFMHAHFSXJME-MGPQQGTHSA-N 2 0 269.433 1.465 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]CC1CC1 ZINC001283725004 942979674 /nfs/dbraw/zinc/97/96/74/942979674.db2.gz WUBZTHORULKMON-LBPRGKRZSA-N 2 0 255.406 1.173 10 0 CDAERP CC(C)OCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H]1C ZINC001283897992 943022389 /nfs/dbraw/zinc/02/23/89/943022389.db2.gz HEVHUGIZNMCWRN-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP CCCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001284034915 943057090 /nfs/dbraw/zinc/05/70/90/943057090.db2.gz XBQULCJHDSYTIL-HUUCEWRRSA-N 2 0 281.444 1.851 10 0 CDAERP C[C@H]1C[C@@H](N(C)C(=O)c2ccc(CN(C)C)o2)CC[N@@H+]1C ZINC001362189060 970994819 /nfs/dbraw/zinc/99/48/19/970994819.db2.gz VBFBHYFGZXWKIB-STQMWFEESA-N 2 0 293.411 1.896 10 0 CDAERP CC[NH2+][C@H]1C[C@@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001263835584 943996373 /nfs/dbraw/zinc/99/63/73/943996373.db2.gz YDPZKDCITKOTTK-HZSPNIEDSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001277925229 944065079 /nfs/dbraw/zinc/06/50/79/944065079.db2.gz YBRFDIILLVANOH-OAHLLOKOSA-N 2 0 281.444 1.875 10 0 CDAERP CC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001264366852 944114126 /nfs/dbraw/zinc/11/41/26/944114126.db2.gz MTGDIRJVFRIKBF-ZDUSSCGKSA-N 2 0 267.417 1.413 10 0 CDAERP COCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001264742996 944172504 /nfs/dbraw/zinc/17/25/04/944172504.db2.gz OETWBWAHZYATGK-HNNXBMFYSA-N 2 0 299.459 1.288 10 0 CDAERP C[N@@H+](C/C=C/Cl)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001265058570 944216819 /nfs/dbraw/zinc/21/68/19/944216819.db2.gz YVUXPOTXDIRKEH-QHHAFSJGSA-N 2 0 285.819 1.273 10 0 CDAERP CN(C(=O)CC[NH+](C)C)C1CC[NH+](CC2CC2)CC1 ZINC001265197093 944266625 /nfs/dbraw/zinc/26/66/25/944266625.db2.gz CZYBYTMDAQFMQP-UHFFFAOYSA-N 2 0 267.417 1.271 10 0 CDAERP CC1CC[NH+](CC(=O)N2CCC[C@H]2C[NH2+]CCF)CC1 ZINC001277966595 944269095 /nfs/dbraw/zinc/26/90/95/944269095.db2.gz VKHPAUVLFUJWTJ-AWEZNQCLSA-N 2 0 285.407 1.268 10 0 CDAERP CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001265360485 944358724 /nfs/dbraw/zinc/35/87/24/944358724.db2.gz MKMUAURYYBILSC-KBPBESRZSA-N 2 0 267.417 1.365 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001265680484 944467156 /nfs/dbraw/zinc/46/71/56/944467156.db2.gz QASLPGSWNGVNTJ-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CCC1CC1 ZINC001265824449 944525673 /nfs/dbraw/zinc/52/56/73/944525673.db2.gz WTRPZHWCXSGGSZ-CHWSQXEVSA-N 2 0 267.417 1.223 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001266228750 944773543 /nfs/dbraw/zinc/77/35/43/944773543.db2.gz NLYJLWRUOLNDJF-HUUCEWRRSA-N 2 0 281.444 1.851 10 0 CDAERP CC(C)C[NH2+]CC(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC001261495357 946142259 /nfs/dbraw/zinc/14/22/59/946142259.db2.gz CODONXSUIZUVAY-GFCCVEGCSA-N 2 0 253.390 1.023 10 0 CDAERP CN(C[C@H]1CC[N@@H+]1CC[C@@H]1CCCO1)C(=O)CC[NH+](C)C ZINC001479241634 971271448 /nfs/dbraw/zinc/27/14/48/971271448.db2.gz FAXZJUKARUHIPI-CABCVRRESA-N 2 0 297.443 1.040 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CCCF ZINC001479640635 971356159 /nfs/dbraw/zinc/35/61/59/971356159.db2.gz SZHATIPWXUHULG-UONOGXRCSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)[C@H](C(=O)NC/C=C\C[NH2+]CCF)[NH+]1CCCCC1 ZINC001568971719 1169567288 /nfs/dbraw/zinc/56/72/88/1169567288.db2.gz OOZQSULROZPMGF-FOSCPCJNSA-N 2 0 299.434 1.728 10 0 CDAERP CC[C@H]1C[N@H+](CC)CCN1C(=O)CC[NH+]1CC[C@H](F)C1 ZINC001362539774 971383140 /nfs/dbraw/zinc/38/31/40/971383140.db2.gz WSYMVILMQDSIEX-KBPBESRZSA-N 2 0 285.407 1.363 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCCC[N@@H+](C)CC2CC2)C1 ZINC001479808706 971432287 /nfs/dbraw/zinc/43/22/87/971432287.db2.gz MIROHYDSXGANPE-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]CCCF)CN1C(=O)C12CC[NH+](CC1)C2 ZINC001278416251 947813647 /nfs/dbraw/zinc/81/36/47/947813647.db2.gz LLRMSMUPKVVHHX-QWHCGFSZSA-N 2 0 283.391 1.021 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H](C)CC[NH+](C)C ZINC001362673646 971516923 /nfs/dbraw/zinc/51/69/23/971516923.db2.gz PUYYEGAOYDXJAV-KGLIPLIRSA-N 2 0 271.449 1.811 10 0 CDAERP O=C(NC[C@H]([NH2+]C/C=C/Cl)C1CC1)C12CC[NH+](CC1)C2 ZINC001480059821 971558399 /nfs/dbraw/zinc/55/83/99/971558399.db2.gz KAJGEMIICXAGCM-VXYHDWQYSA-N 2 0 297.830 1.319 10 0 CDAERP CC1CC(C[NH2+][C@@H](CNC(=O)C[NH+]2CCCC2)C2CC2)C1 ZINC001480062464 971560298 /nfs/dbraw/zinc/56/02/98/971560298.db2.gz CCAXRZNCMKNTOV-XUJLQICISA-N 2 0 293.455 1.613 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC[C@H](C)F)C1 ZINC001480173329 971613055 /nfs/dbraw/zinc/61/30/55/971613055.db2.gz FWQUPSIRIDRJJO-AJNGGQMLSA-N 2 0 299.434 1.846 10 0 CDAERP CCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001278572676 950214672 /nfs/dbraw/zinc/21/46/72/950214672.db2.gz QFCZZKJCRXIFQY-GOEBONIOSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)CC[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001480461929 971741073 /nfs/dbraw/zinc/74/10/73/971741073.db2.gz DLTPELVEGBARPM-MGPQQGTHSA-N 2 0 269.433 1.467 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001480825883 971895093 /nfs/dbraw/zinc/89/50/93/971895093.db2.gz KSWPVMYKVOQHOC-HUUCEWRRSA-N 2 0 281.444 1.851 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001363135308 971916936 /nfs/dbraw/zinc/91/69/36/971916936.db2.gz AJZPOKNZOLNNTL-KFWWJZLASA-N 2 0 283.460 1.953 10 0 CDAERP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)CC[NH+]1CC[C@H](F)C1 ZINC001363139916 971920529 /nfs/dbraw/zinc/92/05/29/971920529.db2.gz PNGBOOATNCBDSN-UONOGXRCSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]3[C@@H](CC[NH+]3C)C2)C1 ZINC001363567402 953465688 /nfs/dbraw/zinc/46/56/88/953465688.db2.gz ATJUNMFYYWAHBY-JYJNAYRXSA-N 2 0 293.455 1.659 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@]12CC[NH+](C1)CCC2)CC[C@H](C)F ZINC001493050214 971932499 /nfs/dbraw/zinc/93/24/99/971932499.db2.gz HQWXFSLNKGGALO-HOCLYGCPSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001493111176 971953212 /nfs/dbraw/zinc/95/32/12/971953212.db2.gz OGMCXDWMBQMPEX-GJZGRUSLSA-N 2 0 281.444 1.850 10 0 CDAERP CCCC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001493138432 971959880 /nfs/dbraw/zinc/95/98/80/971959880.db2.gz SPKDEGGDGHCSRC-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP C[N@@H+]1C[C@]23C[NH+](C[C@@H](O)C4(O)CCC4)C[C@@]2(C1)CCCC3 ZINC001363853249 953918583 /nfs/dbraw/zinc/91/85/83/953918583.db2.gz LZVYTEKJGXGVPE-OAGGEKHMSA-N 2 0 294.439 1.070 10 0 CDAERP Cn1nccc1CC[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001364566234 954815238 /nfs/dbraw/zinc/81/52/38/954815238.db2.gz ZKADLESGRAUTGN-CALCHBBNSA-N 2 0 288.439 1.770 10 0 CDAERP [NH3+]C[C@@H]1CCc2ccccc2N1C[C@@H]1CCC[NH2+]C1 ZINC001327595723 954952543 /nfs/dbraw/zinc/95/25/43/954952543.db2.gz BNXKWJKAQYGYNW-HIFRSBDPSA-N 2 0 259.397 1.766 10 0 CDAERP CC(C)=CC[NH2+][C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001327905030 955107110 /nfs/dbraw/zinc/10/71/10/955107110.db2.gz PVIBIQITSYRCCI-CABCVRRESA-N 2 0 293.455 1.731 10 0 CDAERP CC[C@H](F)C[NH2+]CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001493574254 972083074 /nfs/dbraw/zinc/08/30/74/972083074.db2.gz DTZPNDHSMLRXBU-LBPRGKRZSA-N 2 0 273.396 1.267 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1ccsc1 ZINC001491651751 955349335 /nfs/dbraw/zinc/34/93/35/955349335.db2.gz YSDFABJNJNPKMX-LBPRGKRZSA-N 2 0 283.441 1.684 10 0 CDAERP c1cn(CCC[NH+]2CCC([NH2+]C3CCOCC3)CC2)cn1 ZINC001363330355 972089584 /nfs/dbraw/zinc/08/95/84/972089584.db2.gz YCOPASCXIMSESB-UHFFFAOYSA-N 2 0 292.427 1.506 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](C/C=C/Cl)C[C@@H]2C1 ZINC001421570525 955414624 /nfs/dbraw/zinc/41/46/24/955414624.db2.gz BOXUVWCSKKOBLK-TWRSITDPSA-N 2 0 299.846 1.469 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@](C)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001421587620 955421610 /nfs/dbraw/zinc/42/16/10/955421610.db2.gz OWFAXVVHAFOTFJ-ZBFHGGJFSA-N 2 0 299.434 1.705 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001491847363 955467189 /nfs/dbraw/zinc/46/71/89/955467189.db2.gz GQILPONWQJUIRY-HZPDHXFCSA-N 2 0 293.455 1.733 10 0 CDAERP CC(C)=CC[NH2+]CC1CC(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001328910202 955549898 /nfs/dbraw/zinc/54/98/98/955549898.db2.gz AZLGXLWQLSPWDL-UHFFFAOYSA-N 2 0 293.455 1.779 10 0 CDAERP CO[C@@H](C)C[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001493805935 972117583 /nfs/dbraw/zinc/11/75/83/972117583.db2.gz BLKGSKGCUOGBTR-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP CC[NH2+][C@H](C)[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001329155090 955724364 /nfs/dbraw/zinc/72/43/64/955724364.db2.gz ZEAACWFJXYQRBR-CHWSQXEVSA-N 2 0 269.433 1.610 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCc1cccnc1N ZINC001365282544 955823838 /nfs/dbraw/zinc/82/38/38/955823838.db2.gz SCBXGAMTRGQCBQ-ZDUSSCGKSA-N 2 0 293.415 1.439 10 0 CDAERP CC(C)CC[N@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001329533142 955974143 /nfs/dbraw/zinc/97/41/43/955974143.db2.gz UKQQVHMRTYHAPG-CYBMUJFWSA-N 2 0 257.422 1.421 10 0 CDAERP Cc1cc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)cs1 ZINC001422470220 956045264 /nfs/dbraw/zinc/04/52/64/956045264.db2.gz JJBZSXWXSAOXNL-RISCZKNCSA-N 2 0 295.452 1.745 10 0 CDAERP CC/C=C/CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001317304847 956045383 /nfs/dbraw/zinc/04/53/83/956045383.db2.gz NUQWVVUFONFMJD-NFAHFFEMSA-N 2 0 293.455 1.875 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)C1C[NH+](C[C@H](C)CC)C1 ZINC001422756328 956311547 /nfs/dbraw/zinc/31/15/47/956311547.db2.gz QRFGJNSQYOYYCA-ZIAGYGMSSA-N 2 0 283.460 1.811 10 0 CDAERP CN(C[C@H]1CC[N@@H+]1CC1CCCC1)C(=O)C[NH+]1CCCC1 ZINC001365798097 956370208 /nfs/dbraw/zinc/37/02/08/956370208.db2.gz ADHIJXRIBFTTSM-MRXNPFEDSA-N 2 0 293.455 1.805 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+]C/C=C/Cl)C1 ZINC001365848647 956405085 /nfs/dbraw/zinc/40/50/85/956405085.db2.gz IUYYUBGAWSKSJM-SOICHRRHSA-N 2 0 287.835 1.564 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@@H]2C1 ZINC001365893650 956428456 /nfs/dbraw/zinc/42/84/56/956428456.db2.gz VNGDLGAXXGVKIT-CVEARBPZSA-N 2 0 295.471 1.763 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C/C=C/Cl)C1 ZINC001330578232 956493040 /nfs/dbraw/zinc/49/30/40/956493040.db2.gz PWXZBLRKIUJRAZ-KYHOPOIASA-N 2 0 285.819 1.318 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]C/C=C/Cl)C1 ZINC001366104667 956566267 /nfs/dbraw/zinc/56/62/67/956566267.db2.gz UHPZMESSPLJTSD-FUEXJSSKSA-N 2 0 273.808 1.270 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]([NH2+]C/C=C\Cl)C2)C1 ZINC001494249551 972202515 /nfs/dbraw/zinc/20/25/15/972202515.db2.gz RXWRSGIMNBHJBD-NAFLWYGVSA-N 2 0 285.819 1.271 10 0 CDAERP CCC[NH2+]CCC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001330909597 956697734 /nfs/dbraw/zinc/69/77/34/956697734.db2.gz HARDUJBUOQOUJK-CYBMUJFWSA-N 2 0 269.433 1.613 10 0 CDAERP CC(C)=CC[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001316866200 956772220 /nfs/dbraw/zinc/77/22/20/956772220.db2.gz ZIQWJSQQUYTINK-AWEZNQCLSA-N 2 0 267.417 1.342 10 0 CDAERP CC[C@@H](F)C[NH+]1CCC(C)(NC(=O)CC[NH+](C)C)CC1 ZINC001423503923 956818653 /nfs/dbraw/zinc/81/86/53/956818653.db2.gz ARAMKNNXOHXVEI-CYBMUJFWSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]CCC(F)(F)F ZINC001366506719 956887868 /nfs/dbraw/zinc/88/78/68/956887868.db2.gz JHNNWPNSPNRCQF-LLVKDONJSA-N 2 0 295.349 1.519 10 0 CDAERP CC[NH2+]CCCOCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001331236205 956907039 /nfs/dbraw/zinc/90/70/39/956907039.db2.gz ASJVCYZHXJXGJN-CABCVRRESA-N 2 0 297.443 1.136 10 0 CDAERP C[N@H+](CCNC(=O)C12CCC[NH+]1CCC2)CC1CCCC1 ZINC001366550727 956949641 /nfs/dbraw/zinc/94/96/41/956949641.db2.gz QEKILYQPJXPWKJ-UHFFFAOYSA-N 2 0 293.455 1.853 10 0 CDAERP CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001331317962 956965998 /nfs/dbraw/zinc/96/59/98/956965998.db2.gz JCBZIHJRNXPYHM-CQSZACIVSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC1CCC1 ZINC001331407702 957028501 /nfs/dbraw/zinc/02/85/01/957028501.db2.gz SZBBMVQANMLLPZ-GXTWGEPZSA-N 2 0 267.417 1.317 10 0 CDAERP C[NH+](C)CCC(=O)NCC1C[NH+](CC2CC(C)(C)C2)C1 ZINC001366972360 957309670 /nfs/dbraw/zinc/30/96/70/957309670.db2.gz AHKYOMIVLLLMLQ-UHFFFAOYSA-N 2 0 281.444 1.422 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC001367016169 957339184 /nfs/dbraw/zinc/33/91/84/957339184.db2.gz SDLQALHNFYYAOC-HNNXBMFYSA-N 2 0 293.386 1.468 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCC(C)(C)C ZINC001317231230 957361670 /nfs/dbraw/zinc/36/16/70/957361670.db2.gz YIKRIGSWSBBTCS-OLZOCXBDSA-N 2 0 269.433 1.611 10 0 CDAERP CC[C@@H](C(=O)N(C)[C@H]1CC[N@H+](CCOC)C1)[NH+](CC)CC ZINC001367062273 957377298 /nfs/dbraw/zinc/37/72/98/957377298.db2.gz VTVZGSRBURIDEH-GJZGRUSLSA-N 2 0 299.459 1.286 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)[NH2+]CC1CCC1)[NH+](C)C ZINC001317247708 957378157 /nfs/dbraw/zinc/37/81/57/957378157.db2.gz RHXZLIRLCRHPQL-WCQYABFASA-N 2 0 255.406 1.221 10 0 CDAERP CCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@@H+]([C@@H](C)COC)C1 ZINC001367072022 957383542 /nfs/dbraw/zinc/38/35/42/957383542.db2.gz OOGAJWXCBOOSMV-LSDHHAIUSA-N 2 0 297.443 1.040 10 0 CDAERP CCCC[NH2+][C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001317271789 957396279 /nfs/dbraw/zinc/39/62/79/957396279.db2.gz OAZYXCZZBYETAM-ZDUSSCGKSA-N 2 0 269.433 1.613 10 0 CDAERP CC(C)CC[NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001569266541 1169742713 /nfs/dbraw/zinc/74/27/13/1169742713.db2.gz AYASNTCUNGFBCI-AWEZNQCLSA-N 2 0 269.433 1.422 10 0 CDAERP CC[C@@H](C(=O)N1CC[C@H]([NH2+]C(C)C)C1)[NH+](CC)CC ZINC001317305944 957414795 /nfs/dbraw/zinc/41/47/95/957414795.db2.gz QKGHWXKUXVIBBS-KBPBESRZSA-N 2 0 269.433 1.706 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1CCN(C(=O)Cc2cncn2C)C1 ZINC001317343151 957430560 /nfs/dbraw/zinc/43/05/60/957430560.db2.gz JWJBPBPPDIMOQF-CQSZACIVSA-N 2 0 290.411 1.367 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)CC[C@H]1CCCO1 ZINC001425075554 957464123 /nfs/dbraw/zinc/46/41/23/957464123.db2.gz FIZSPDMCDKTIKU-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP COCCC[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H]1C ZINC001332203029 957476980 /nfs/dbraw/zinc/47/69/80/957476980.db2.gz ZTKWRTFQFBJFSE-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP CCCCCC[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001317470835 957499529 /nfs/dbraw/zinc/49/95/29/957499529.db2.gz YEYPVNUIMNPZAJ-CQSZACIVSA-N 2 0 269.433 1.566 10 0 CDAERP C(C[NH2+]C1CC1)C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001332335675 957521997 /nfs/dbraw/zinc/52/19/97/957521997.db2.gz ZXBKUNXLEIZHRL-UHFFFAOYSA-N 3 0 251.418 1.594 10 0 CDAERP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2[C@@H](C)COC[C@H]2C)C1 ZINC001332390976 957543814 /nfs/dbraw/zinc/54/38/14/957543814.db2.gz QVHWWFSFOZDVIJ-LJISPDSOSA-N 2 0 254.418 1.979 10 0 CDAERP CC(C)=CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001317561847 957556132 /nfs/dbraw/zinc/55/61/32/957556132.db2.gz OZFZMFRJGOHBHA-CQSZACIVSA-N 2 0 279.428 1.485 10 0 CDAERP CC(C)[NH2+][C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC1(C)C ZINC001332452607 957570060 /nfs/dbraw/zinc/57/00/60/957570060.db2.gz IKYOPOOGTBLNNI-ZDUSSCGKSA-N 2 0 269.433 1.562 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CCF)C(C)(C)C ZINC001332840199 957875695 /nfs/dbraw/zinc/87/56/95/957875695.db2.gz CMOWAGPXGCABCP-QWHCGFSZSA-N 2 0 287.423 1.561 10 0 CDAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]CCC1CC1 ZINC001367433407 958008744 /nfs/dbraw/zinc/00/87/44/958008744.db2.gz PSHIMZAWFFWBSQ-HIFRSBDPSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](CCCO)C1)[NH+](CC)CC ZINC001494852387 972323763 /nfs/dbraw/zinc/32/37/63/972323763.db2.gz AEEDLDSBYVNOOP-CABCVRRESA-N 2 0 299.459 1.022 10 0 CDAERP C[C@H]1CCCC[C@@]1(C[NH2+]CCF)NC(=O)C[NH+]1CCCC1 ZINC001318757849 958256455 /nfs/dbraw/zinc/25/64/55/958256455.db2.gz JSKPMJAAJXHAIO-HOCLYGCPSA-N 2 0 299.434 1.706 10 0 CDAERP CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001318822103 958271378 /nfs/dbraw/zinc/27/13/78/958271378.db2.gz RNVKSOLKIYXMOK-UONOGXRCSA-N 2 0 267.417 1.319 10 0 CDAERP CC[NH2+]CCC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001318908932 958298398 /nfs/dbraw/zinc/29/83/98/958298398.db2.gz YARDWBWWQBCHTB-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]C/C=C\Cl ZINC001494949942 972346694 /nfs/dbraw/zinc/34/66/94/972346694.db2.gz OTEWBSQXSWCJMY-OXTPZFROSA-N 2 0 273.808 1.318 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]CCC1CCCC1 ZINC001319284809 958475389 /nfs/dbraw/zinc/47/53/89/958475389.db2.gz WYFFMBSWRHNJAZ-ZBFHGGJFSA-N 2 0 295.471 1.860 10 0 CDAERP CC(C)CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001319574921 958638034 /nfs/dbraw/zinc/63/80/34/958638034.db2.gz QGOXIIDYHWTLHW-CABCVRRESA-N 2 0 283.460 1.811 10 0 CDAERP COCCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001319818980 958740333 /nfs/dbraw/zinc/74/03/33/958740333.db2.gz IPNVUDNMUPIARH-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1ccc(S(C)(=O)=O)o1 ZINC001334055316 958797337 /nfs/dbraw/zinc/79/73/37/958797337.db2.gz LWGMQDOIFMNRLD-GHMZBOCLSA-N 2 0 286.397 1.018 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1C[C@H](C)CC ZINC001368429666 958835236 /nfs/dbraw/zinc/83/52/36/958835236.db2.gz CDEHNIJJBSGARV-HUUCEWRRSA-N 2 0 283.460 1.907 10 0 CDAERP C[C@@H](F)CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001368644881 959012246 /nfs/dbraw/zinc/01/22/46/959012246.db2.gz UYCXCUBEXBOLPV-QLFBSQMISA-N 2 0 299.434 1.705 10 0 CDAERP CCC[NH2+]C1(C)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001368663499 959024187 /nfs/dbraw/zinc/02/41/87/959024187.db2.gz JYELSNYAEGTIFL-AWEZNQCLSA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@@H](C)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001368670688 959029139 /nfs/dbraw/zinc/02/91/39/959029139.db2.gz MAGHTWKBHONSMC-HUUCEWRRSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](NC(=O)C12CCC[NH+]1CCC2)[C@H](C)[NH2+]CCC1CC1 ZINC001368871433 959211978 /nfs/dbraw/zinc/21/19/78/959211978.db2.gz PQXBQGXAILCYEQ-UONOGXRCSA-N 2 0 293.455 1.898 10 0 CDAERP CC[C@@H](C)C[NH2+]CCN(CC)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001320736776 959362134 /nfs/dbraw/zinc/36/21/34/959362134.db2.gz GJKRNEYVHRSFNI-ZBFHGGJFSA-N 2 0 295.471 1.812 10 0 CDAERP CCN(CC[NH2+]CCC(C)C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001320770507 959379639 /nfs/dbraw/zinc/37/96/39/959379639.db2.gz YHSPUNMEIYVSAR-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC(C)C ZINC001369008901 959398467 /nfs/dbraw/zinc/39/84/67/959398467.db2.gz RUTYBJGRIJCOFM-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001369167264 959495107 /nfs/dbraw/zinc/49/51/07/959495107.db2.gz AVOHYKNLMCAHNB-IHRRRGAJSA-N 2 0 299.434 1.703 10 0 CDAERP C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CC1CCC1 ZINC001371253373 972434943 /nfs/dbraw/zinc/43/49/43/972434943.db2.gz RABWVQOGPJABIQ-AWEZNQCLSA-N 2 0 293.455 1.757 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccon2)C1 ZINC001369430822 959682763 /nfs/dbraw/zinc/68/27/63/959682763.db2.gz YYSWKGPXCUFBPO-CHWSQXEVSA-N 2 0 294.399 1.001 10 0 CDAERP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]CCCF)[NH+]1CCCC1 ZINC001322088027 960078330 /nfs/dbraw/zinc/07/83/30/960078330.db2.gz KNIGZONOVARGMZ-UONOGXRCSA-N 2 0 287.423 1.561 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)CCCOC ZINC001322306317 960176078 /nfs/dbraw/zinc/17/60/78/960176078.db2.gz JNMKFSOQKFTMJN-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](CC[NH2+]CCF)C1 ZINC001495394139 972486214 /nfs/dbraw/zinc/48/62/14/972486214.db2.gz VIZRNAJOKFSEGD-CQSZACIVSA-N 2 0 287.423 1.514 10 0 CDAERP Cc1cccc(C[NH2+]CCCN(C)C(=O)CC[NH+](C)C)c1 ZINC001322679102 960296086 /nfs/dbraw/zinc/29/60/86/960296086.db2.gz YTFIJOFXWGFIRQ-UHFFFAOYSA-N 2 0 291.439 1.885 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001323294810 960618678 /nfs/dbraw/zinc/61/86/78/960618678.db2.gz ZLRGBARGLFZIMM-QWHCGFSZSA-N 2 0 255.406 1.175 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCCC2CCC2)CC1 ZINC001323406232 960715643 /nfs/dbraw/zinc/71/56/43/960715643.db2.gz OEGVMUYJUCFNJL-OAHLLOKOSA-N 2 0 293.455 1.899 10 0 CDAERP COC[C@H](C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1)C(C)C ZINC001560055884 960852009 /nfs/dbraw/zinc/85/20/09/960852009.db2.gz QWAJTUROZIIFEG-ILXRZTDVSA-N 2 0 254.418 1.789 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001418701215 960919629 /nfs/dbraw/zinc/91/96/29/960919629.db2.gz VTMCAUKPUGMPER-OAHLLOKOSA-N 2 0 283.460 1.811 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH+](C)C)C1 ZINC001434355216 961190409 /nfs/dbraw/zinc/19/04/09/961190409.db2.gz KRMJFJLHVLXGFT-HUUCEWRRSA-N 2 0 281.444 1.661 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCCF ZINC001324213918 961240447 /nfs/dbraw/zinc/24/04/47/961240447.db2.gz RLUDEQDAGRNQPJ-KBPBESRZSA-N 2 0 285.407 1.411 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001419176481 961468920 /nfs/dbraw/zinc/46/89/20/961468920.db2.gz SWZWUAVDQQEIHA-INIZCTEOSA-N 2 0 289.423 1.371 10 0 CDAERP CCC1([NH+](C)C)CCN(CCN2CCOC[C@@H]2C)CC1 ZINC001434481176 961497310 /nfs/dbraw/zinc/49/73/10/961497310.db2.gz BSLRCZZAJDBMGI-HNNXBMFYSA-N 2 0 283.460 1.513 10 0 CDAERP CC[N@H+](C)C[C@H](O)CN1C[C@@H]([NH+]2CCCC2)C[C@@H]1C(C)C ZINC001434508669 961580806 /nfs/dbraw/zinc/58/08/06/961580806.db2.gz LKHXKETUOJYLCL-YESZJQIVSA-N 2 0 297.487 1.494 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001419408848 961670793 /nfs/dbraw/zinc/67/07/93/961670793.db2.gz QPEMTWNVTWOGML-IHRRRGAJSA-N 2 0 297.418 1.600 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnc(C)o2)C1 ZINC001419504510 961772057 /nfs/dbraw/zinc/77/20/57/961772057.db2.gz GFDPIUHSVGOQMJ-BETUJISGSA-N 2 0 294.399 1.062 10 0 CDAERP CC(C)[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cncs1 ZINC001419902158 962219246 /nfs/dbraw/zinc/21/92/46/962219246.db2.gz LNSOPZUHPFUOAW-ZDUSSCGKSA-N 2 0 298.456 1.325 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]([NH2+]CCF)C2CC2)C1 ZINC001436811191 962429037 /nfs/dbraw/zinc/42/90/37/962429037.db2.gz MMOXLWSJBBQDQP-HUUCEWRRSA-N 2 0 299.434 1.562 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2F)C1 ZINC001436910097 962489423 /nfs/dbraw/zinc/48/94/23/962489423.db2.gz LHYHQAIZRSUNHG-HDJSIYSDSA-N 2 0 293.386 1.514 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2CCCC[NH+]2C)C1 ZINC001420449875 962915521 /nfs/dbraw/zinc/91/55/21/962915521.db2.gz MMPHZNWBKMHUGT-GJZGRUSLSA-N 2 0 281.444 1.707 10 0 CDAERP C[NH+](C)CCC(=O)NCC[N@H+](C)CCc1ccccc1 ZINC001437516477 962980454 /nfs/dbraw/zinc/98/04/54/962980454.db2.gz RWGVMYJZIKVEGY-UHFFFAOYSA-N 2 0 277.412 1.229 10 0 CDAERP Cc1cc(C[N@@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C)cs1 ZINC001420611198 963117333 /nfs/dbraw/zinc/11/73/33/963117333.db2.gz BHLISEBNIPSNIL-LBPRGKRZSA-N 2 0 297.468 1.945 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]CC2CCCC2)C2CC2)C1 ZINC001420788861 963241799 /nfs/dbraw/zinc/24/17/99/963241799.db2.gz OMXYTVXMNZCNBX-HOTGVXAUSA-N 2 0 293.455 1.613 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC2CC2)CC[N@@H+]1C ZINC001438648659 963514759 /nfs/dbraw/zinc/51/47/59/963514759.db2.gz FIEJDFGMXOWIQS-AEGPPILISA-N 2 0 281.444 1.563 10 0 CDAERP CC(C)[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001438772848 963545972 /nfs/dbraw/zinc/54/59/72/963545972.db2.gz QPMQBVYTONCKDE-CABCVRRESA-N 2 0 281.444 1.850 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H](CC)CNC(=O)C1CC[NH+](C)CC1 ZINC001421440839 963608106 /nfs/dbraw/zinc/60/81/06/963608106.db2.gz GEPSSLSDQPWCNS-UKRRQHHQSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@@H](C[NH2+]Cc1cccc(F)c1F)NC(=O)CC[NH+](C)C ZINC001439245776 963689571 /nfs/dbraw/zinc/68/95/71/963689571.db2.gz OWXKSDRWKVWLKO-NSHDSACASA-N 2 0 299.365 1.511 10 0 CDAERP C[C@@H](C[N@H+](C)CCCF)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001439343869 963731797 /nfs/dbraw/zinc/73/17/97/963731797.db2.gz UPSUBUZQFJLWCD-AWEZNQCLSA-N 2 0 299.434 1.659 10 0 CDAERP C[C@@H](C[N@H+](C)CC1CC(F)(F)C1)NC(=O)CC[NH+](C)C ZINC001439360692 963737320 /nfs/dbraw/zinc/73/73/20/963737320.db2.gz FLQJKCWRCCEJKK-NSHDSACASA-N 2 0 291.386 1.420 10 0 CDAERP COC[C@H](C)[NH+]1CCC(C)(NC(=O)C[NH+]2CCCC2)CC1 ZINC001439805688 963865777 /nfs/dbraw/zinc/86/57/77/963865777.db2.gz MNHRAMBXXLHEIC-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001439911275 963891410 /nfs/dbraw/zinc/89/14/10/963891410.db2.gz GHFGBPQVDVPGQK-HOCLYGCPSA-N 2 0 281.444 1.422 10 0 CDAERP CC[NH+]1CCC([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001440106589 963927809 /nfs/dbraw/zinc/92/78/09/963927809.db2.gz DQWYWRQWBAUUNF-MRXNPFEDSA-N 2 0 295.471 1.909 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1CC[C@H](C)F ZINC001440264696 963961475 /nfs/dbraw/zinc/96/14/75/963961475.db2.gz WETCVLMLWONZHC-UONOGXRCSA-N 2 0 287.423 1.609 10 0 CDAERP CC[C@@H](C(=O)N1CCCC[C@H]1C[N@H+](C)C[C@H](C)O)[NH+](C)C ZINC001440520542 964100831 /nfs/dbraw/zinc/10/08/31/964100831.db2.gz OZKXINHYMGFOID-KKUMJFAQSA-N 2 0 299.459 1.020 10 0 CDAERP C[C@@H](CCNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH2+]C/C=C/Cl ZINC001440677631 964135297 /nfs/dbraw/zinc/13/52/97/964135297.db2.gz FFQHVXHLPVJUNC-XZRLNXKWSA-N 2 0 299.846 1.709 10 0 CDAERP CC(C)CCC[NH+]1CC([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001441209385 964419666 /nfs/dbraw/zinc/41/96/66/964419666.db2.gz YIIIIYSWKFQOSU-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[NH+](CCC2CC2)CC1(C)C ZINC001441264018 964440884 /nfs/dbraw/zinc/44/08/84/964440884.db2.gz RSASATSZKUFDTH-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CC1CCC1 ZINC001441569549 964597318 /nfs/dbraw/zinc/59/73/18/964597318.db2.gz PQRAEWPBKGROSM-DZKIICNBSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)[C@H](C(=O)N(C)C[C@H](C)[NH2+]CCC1CC1)[NH+](C)C ZINC001441588816 964606306 /nfs/dbraw/zinc/60/63/06/964606306.db2.gz IGMMSMABABHYGU-DZGCQCFKSA-N 2 0 283.460 1.809 10 0 CDAERP C[C@@H]1[C@@H]([NH2+]C/C=C\Cl)CCN1C(=O)CC[NH+](C)C ZINC001441816001 964731093 /nfs/dbraw/zinc/73/10/93/964731093.db2.gz CVXVHXHNRFPDJT-HIMAVIEDSA-N 2 0 273.808 1.270 10 0 CDAERP Cc1ncc(C[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C2CCC2)o1 ZINC001441838957 964744046 /nfs/dbraw/zinc/74/40/46/964744046.db2.gz HAUVJJZNXBYPPT-NSHDSACASA-N 2 0 294.399 1.062 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001444673416 965918086 /nfs/dbraw/zinc/91/80/86/965918086.db2.gz UCFYHCWKIBISRO-GJZGRUSLSA-N 2 0 283.460 1.907 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]CC1CCOCC1 ZINC001444723965 965933891 /nfs/dbraw/zinc/93/38/91/965933891.db2.gz QXAVFOZMTCLDKI-AWEZNQCLSA-N 2 0 299.459 1.190 10 0 CDAERP CCC[NH2+][C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001444872053 965984884 /nfs/dbraw/zinc/98/48/84/965984884.db2.gz KMRVNSARCURMEE-HUUCEWRRSA-N 2 0 281.444 1.469 10 0 CDAERP Cc1cc(C[N@@H+](C)CCN(C)C(=O)CC[NH+](C)C)cs1 ZINC001445026272 966062731 /nfs/dbraw/zinc/06/27/31/966062731.db2.gz JRLDZWLZQLIJKH-UHFFFAOYSA-N 2 0 297.468 1.898 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001445082808 966091976 /nfs/dbraw/zinc/09/19/76/966091976.db2.gz JZDMREZTWQYHIL-QWHCGFSZSA-N 2 0 273.396 1.076 10 0 CDAERP C[C@H](CN(C)C/C=C/Cl)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001445850440 966364323 /nfs/dbraw/zinc/36/43/23/966364323.db2.gz HVMBYGJKMYVQRG-PBYRWIMMSA-N 2 0 287.835 1.517 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]Cc1ccsc1)C1CC1 ZINC001445967018 966402837 /nfs/dbraw/zinc/40/28/37/966402837.db2.gz KHFVPYXMOYOTEL-CQSZACIVSA-N 2 0 295.452 1.684 10 0 CDAERP CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCC[NH+]1CCCC1 ZINC001447049147 966686996 /nfs/dbraw/zinc/68/69/96/966686996.db2.gz WTOPXJPDYBRMHV-HZPDHXFCSA-N 2 0 293.455 1.948 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2C/C=C\Cl ZINC001447153411 966709584 /nfs/dbraw/zinc/70/95/84/966709584.db2.gz JJNPJGWBLLPGIT-AKMKWWRZSA-N 2 0 299.846 1.756 10 0 CDAERP Cc1cc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CC[NH+](C)C)cs1 ZINC001447897682 966920329 /nfs/dbraw/zinc/92/03/29/966920329.db2.gz INLPYAYRBWHWRR-CHWSQXEVSA-N 2 0 297.468 1.991 10 0 CDAERP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001447897759 966922700 /nfs/dbraw/zinc/92/27/00/966922700.db2.gz ITDMZJURFCOLCJ-STQMWFEESA-N 2 0 295.402 1.760 10 0 CDAERP CO[C@@H](C)C[NH2+]CC(C)(C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001447991337 966954971 /nfs/dbraw/zinc/95/49/71/966954971.db2.gz NVJODQAOSLDKLQ-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP CC[NH2+]CC1(NC(=O)C2(C[NH+](C)C)CC2)CCCCC1 ZINC001448224578 967035076 /nfs/dbraw/zinc/03/50/76/967035076.db2.gz KMJGMLAEQFPKSE-UHFFFAOYSA-N 2 0 281.444 1.757 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001480306413 967366348 /nfs/dbraw/zinc/36/63/48/967366348.db2.gz ZNKNFWZOOFXPTD-HUUCEWRRSA-N 2 0 281.444 1.422 10 0 CDAERP CC[NH+]1CCC(C2(NC(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001449413631 967455495 /nfs/dbraw/zinc/45/54/95/967455495.db2.gz UQFFPZGAAKVJLM-UHFFFAOYSA-N 2 0 279.428 1.463 10 0 CDAERP CCc1cccc(C[NH2+][C@@H](C)CNC(=O)CC[NH+](C)C)c1 ZINC001480530759 968116425 /nfs/dbraw/zinc/11/64/25/968116425.db2.gz NIXODKZFVNDYNZ-AWEZNQCLSA-N 2 0 291.439 1.795 10 0 CDAERP CC[C@@H](C(=O)NC[C@@H](C)[NH2+]C(C)C)[NH+](CC)CC ZINC001480532843 968124972 /nfs/dbraw/zinc/12/49/72/968124972.db2.gz IQERUSRKWUZCAT-OLZOCXBDSA-N 2 0 257.422 1.610 10 0 CDAERP C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001529327401 969030658 /nfs/dbraw/zinc/03/06/58/969030658.db2.gz ISJOZNBSIRTHSW-ARFHVFGLSA-N 2 0 293.455 1.709 10 0 CDAERP CO[C@H]1CC[C@@H]([NH+]2CCC(O)(C[NH+]3CCCCC3)CC2)C1 ZINC001460935978 969567947 /nfs/dbraw/zinc/56/79/47/969567947.db2.gz ATPZUZNPGXDKFW-CVEARBPZSA-N 2 0 296.455 1.867 10 0 CDAERP CC[NH+](CC)CCNC(=O)[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001463636312 969745387 /nfs/dbraw/zinc/74/53/87/969745387.db2.gz XVZZSOKPQHGUDY-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)NCCC2CC[NH+](C)CC2)C1 ZINC001464725232 969810255 /nfs/dbraw/zinc/81/02/55/969810255.db2.gz JVJANPRRTIZBHM-INIZCTEOSA-N 2 0 295.471 1.955 10 0 CDAERP CN(C(=O)C[NH+]1CCC(c2cncn2C)CC1)C1CC1 ZINC001473895575 969848416 /nfs/dbraw/zinc/84/84/16/969848416.db2.gz OQWLMEDJKXSYFS-UHFFFAOYSA-N 2 0 276.384 1.220 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001465503626 969880229 /nfs/dbraw/zinc/88/02/29/969880229.db2.gz GWPJGFIQEFKIAG-RDBSUJKOSA-N 2 0 269.433 1.563 10 0 CDAERP CC[N@@H+]1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C[C@H]1C ZINC001466103314 969922956 /nfs/dbraw/zinc/92/29/56/969922956.db2.gz JWJYQRCNULPRAC-KFWWJZLASA-N 2 0 281.444 1.659 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CN1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001414061783 969943923 /nfs/dbraw/zinc/94/39/23/969943923.db2.gz CWFMCKXYURERTO-MRXNPFEDSA-N 2 0 295.471 1.393 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NCC12CCC[NH+](CCC1)C2 ZINC001470755109 970367945 /nfs/dbraw/zinc/36/79/45/970367945.db2.gz ZPRBBLRXLSQYGW-AWEZNQCLSA-N 2 0 281.444 1.566 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCC2CC2)C1 ZINC001371628043 972569748 /nfs/dbraw/zinc/56/97/48/972569748.db2.gz DJIBUWYPEVPCSP-HUUCEWRRSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@@H](C[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1)OC ZINC001371699253 972598873 /nfs/dbraw/zinc/59/88/73/972598873.db2.gz YDOLXNOGGPDNIX-CABCVRRESA-N 2 0 299.459 1.286 10 0 CDAERP CCC[N@H+](C)CC(=O)NCC[NH+](C)C[C@H]1CCO[C@H](C)C1 ZINC001372194119 972844437 /nfs/dbraw/zinc/84/44/37/972844437.db2.gz YYMKMVIEWXHDDY-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001496432852 972921660 /nfs/dbraw/zinc/92/16/60/972921660.db2.gz ZYQKPZNMBYHOHF-LSDHHAIUSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+](CC3CCC3)C2)C1 ZINC001372658646 973069459 /nfs/dbraw/zinc/06/94/59/973069459.db2.gz HJDAZGJKUCSQMN-ZBFHGGJFSA-N 2 0 293.455 1.566 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001569653772 1169955768 /nfs/dbraw/zinc/95/57/68/1169955768.db2.gz UOAXWYAQBPQCIM-FHYYHZITSA-N 2 0 293.455 1.875 10 0 CDAERP CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001417834446 973406710 /nfs/dbraw/zinc/40/67/10/973406710.db2.gz ZVEKGRCJQADBGI-CABCVRRESA-N 2 0 281.444 1.519 10 0 CDAERP CC(C)[NH2+]C/C=C\CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001497673937 973458848 /nfs/dbraw/zinc/45/88/48/973458848.db2.gz ZJUHAELVRKZRRE-MEJMFZKBSA-N 2 0 255.406 1.243 10 0 CDAERP CC1CC[NH+](CC(=O)NC/C=C\C[NH2+]C/C=C/Cl)CC1 ZINC001497715235 973476041 /nfs/dbraw/zinc/47/60/41/973476041.db2.gz RXBSCZDAZMHGII-UDJLOATDSA-N 2 0 299.846 1.733 10 0 CDAERP Cc1cncc(C[N@H+]2CC[C@@H](NC(=O)CC[NH+](C)C)C2)c1 ZINC001373638062 973538041 /nfs/dbraw/zinc/53/80/41/973538041.db2.gz DJGRUJMCFVMGCK-OAHLLOKOSA-N 2 0 290.411 1.032 10 0 CDAERP CC(C)[NH+](C)CC(=O)N(C)[C@@H]1CC[N@@H+](CCC[C@H](C)O)C1 ZINC001373694297 973571165 /nfs/dbraw/zinc/57/11/65/973571165.db2.gz GDFNRUCQMBUZTD-LSDHHAIUSA-N 2 0 299.459 1.020 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1ccns1 ZINC001497992581 973603091 /nfs/dbraw/zinc/60/30/91/973603091.db2.gz FTCYGWUNJQSLRZ-LLVKDONJSA-N 2 0 284.429 1.078 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccsc1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001498045255 973646548 /nfs/dbraw/zinc/64/65/48/973646548.db2.gz MFZAOBVJSRUZCG-OUCADQQQSA-N 2 0 295.452 1.683 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001498105417 973685036 /nfs/dbraw/zinc/68/50/36/973685036.db2.gz AAVVXYAPSIMIPO-YNEHKIRRSA-N 2 0 275.412 1.415 10 0 CDAERP CC[C@H](F)C[NH2+][C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001418270223 973712778 /nfs/dbraw/zinc/71/27/78/973712778.db2.gz UBJZELUHRMZZJM-YPMHNXCESA-N 2 0 273.396 1.171 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1ccccc1 ZINC001418311569 973743513 /nfs/dbraw/zinc/74/35/13/973743513.db2.gz FKJKNPKLAPPBOI-CQSZACIVSA-N 2 0 277.412 1.621 10 0 CDAERP CC[NH2+]CCCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001498629820 974003633 /nfs/dbraw/zinc/00/36/33/974003633.db2.gz APRWNXSVKWJCBZ-UHFFFAOYSA-N 2 0 255.406 1.176 10 0 CDAERP O=C(C[NH+]1CCCC1)NCC1([NH2+]CCC2CC2)CC1 ZINC001499448465 974256761 /nfs/dbraw/zinc/25/67/61/974256761.db2.gz LDRYVCXXLSRYBP-UHFFFAOYSA-N 2 0 265.401 1.121 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]CC1CC1)C1CC1 ZINC001375236877 974300630 /nfs/dbraw/zinc/30/06/30/974300630.db2.gz BKQHUVISEKRGLZ-HUUCEWRRSA-N 2 0 279.428 1.365 10 0 CDAERP CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]C/C=C\Cl)[NH+](C)C ZINC001499926168 974335479 /nfs/dbraw/zinc/33/54/79/974335479.db2.gz GJMUQNMEBZFGFG-BZGOVLQXSA-N 2 0 287.835 1.660 10 0 CDAERP C[C@@H](O)C[NH+]1CCC(C)(NC(=O)CCCC[NH+](C)C)CC1 ZINC001500005733 974351106 /nfs/dbraw/zinc/35/11/06/974351106.db2.gz JBKBCTQLXYQQPK-CQSZACIVSA-N 2 0 299.459 1.070 10 0 CDAERP CCC[N@@H+]1CC[C@](C)(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001500228758 974407221 /nfs/dbraw/zinc/40/72/21/974407221.db2.gz YXURVTZPWKYIDY-ZBFHGGJFSA-N 2 0 281.444 1.851 10 0 CDAERP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+](CC2CCCC2)C1 ZINC001500256552 974411751 /nfs/dbraw/zinc/41/17/51/974411751.db2.gz COSVHBZXUAIVPM-MRXNPFEDSA-N 2 0 281.444 1.709 10 0 CDAERP CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001375557595 974422802 /nfs/dbraw/zinc/42/28/02/974422802.db2.gz AHVVJQFMLLPADP-KKUMJFAQSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@]1(C)CCC[NH+](CCF)C1 ZINC001500552507 974449569 /nfs/dbraw/zinc/44/95/69/974449569.db2.gz GINFZZDVUYZEBR-HNNXBMFYSA-N 2 0 287.423 1.514 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@H]([NH2+]CC1CCCC1)C1CC1 ZINC001376263560 974615832 /nfs/dbraw/zinc/61/58/32/974615832.db2.gz PELNMXMRTMAWRC-INIZCTEOSA-N 2 0 293.455 1.757 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]C/C=C/Cl)C1 ZINC001376350631 974637835 /nfs/dbraw/zinc/63/78/35/974637835.db2.gz BCPYZLINSWYDIJ-NSDHSQQOSA-N 2 0 299.846 1.804 10 0 CDAERP Cc1cc(C[NH2+][C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)on1 ZINC001376353690 974637884 /nfs/dbraw/zinc/63/78/84/974637884.db2.gz RCRDNKTWWDVNPQ-ZDUSSCGKSA-N 2 0 294.399 1.014 10 0 CDAERP Cc1ncc(C[NH2+][C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)s1 ZINC001376389384 974648034 /nfs/dbraw/zinc/64/80/34/974648034.db2.gz NOBQNOUECGDQBZ-HAQNSBGRSA-N 2 0 296.440 1.140 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001502026059 974677187 /nfs/dbraw/zinc/67/71/87/974677187.db2.gz LPEAROVQQHSEQH-CHWSQXEVSA-N 2 0 285.407 1.315 10 0 CDAERP CC(C)[NH2+]CC[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001376559892 974687083 /nfs/dbraw/zinc/68/70/83/974687083.db2.gz FWNVUZZJOUNLEN-CQSZACIVSA-N 2 0 279.428 1.319 10 0 CDAERP CO[C@H](C)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)CC1 ZINC001502147533 974707632 /nfs/dbraw/zinc/70/76/32/974707632.db2.gz KVYZGPXERWXKLT-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001376722730 974744145 /nfs/dbraw/zinc/74/41/45/974744145.db2.gz WSIZZHJWHQUKNP-LSDHHAIUSA-N 2 0 283.460 2.000 10 0 CDAERP C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CC1CC1 ZINC001376753383 974754712 /nfs/dbraw/zinc/75/47/12/974754712.db2.gz SRRPDIWIVLSPRT-CYBMUJFWSA-N 2 0 279.428 1.367 10 0 CDAERP C[NH+](C)C1(C(=O)NC[C@H]2CC[N@H+](CCC3CC3)C2)CCC1 ZINC001377446296 975032137 /nfs/dbraw/zinc/03/21/37/975032137.db2.gz WIMZFYMWYVTPHS-OAHLLOKOSA-N 2 0 293.455 1.709 10 0 CDAERP CCCC[N@@H+]1CC[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001377467433 975039493 /nfs/dbraw/zinc/03/94/93/975039493.db2.gz JUSASVRIAPQSEK-GJZGRUSLSA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)=CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001505921790 975043945 /nfs/dbraw/zinc/04/39/45/975043945.db2.gz ACJNTKUSXGMMPM-RRFJBIMHSA-N 2 0 281.444 1.729 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001377705828 975117056 /nfs/dbraw/zinc/11/70/56/975117056.db2.gz HQTGCIVVJGPFJU-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1cccnc1 ZINC001377849512 975156259 /nfs/dbraw/zinc/15/62/59/975156259.db2.gz NGBDGNXVJWHTBS-QWHCGFSZSA-N 2 0 278.400 1.016 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)NCc1nocc1C ZINC001377885555 975165878 /nfs/dbraw/zinc/16/58/78/975165878.db2.gz SQIXTFKULYEVFI-OLZOCXBDSA-N 2 0 296.415 1.308 10 0 CDAERP CC(C)OCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001507078424 975328047 /nfs/dbraw/zinc/32/80/47/975328047.db2.gz GFYQHIHLJXGPJP-RRFJBIMHSA-N 2 0 299.459 1.188 10 0 CDAERP CC[C@@H](CNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH2+]CC1CC1 ZINC001378330639 975330946 /nfs/dbraw/zinc/33/09/46/975330946.db2.gz PLLCQLRVADKNNO-HOCLYGCPSA-N 2 0 279.428 1.367 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@@]2(C1)C[NH+](C(C)C)CCO2 ZINC001378628135 975421689 /nfs/dbraw/zinc/42/16/89/975421689.db2.gz VFSCSXARAVNMEB-INIZCTEOSA-N 2 0 297.443 1.040 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@@H](C)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001378770745 975486956 /nfs/dbraw/zinc/48/69/56/975486956.db2.gz BJMUEQDRYICGKA-OLZOCXBDSA-N 2 0 287.423 1.655 10 0 CDAERP CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001378792029 975492104 /nfs/dbraw/zinc/49/21/04/975492104.db2.gz YGIJNZGLWWZSSO-ZNMIVQPWSA-N 2 0 293.455 1.565 10 0 CDAERP CC(C)[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCF ZINC001378979583 975576268 /nfs/dbraw/zinc/57/62/68/975576268.db2.gz IHFNEPQYFBPIBX-STQMWFEESA-N 2 0 273.396 1.171 10 0 CDAERP CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CCF)C1)[NH+](C)C ZINC001388758210 975579389 /nfs/dbraw/zinc/57/93/89/975579389.db2.gz ZCGZFIVCXPTXPS-XQQFMLRXSA-N 2 0 273.396 1.171 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCCCC[C@H]([NH2+]CCF)C1 ZINC001388799250 975599125 /nfs/dbraw/zinc/59/91/25/975599125.db2.gz NJMNPMAJHFNQPQ-AWEZNQCLSA-N 2 0 287.423 1.657 10 0 CDAERP CC[C@H](C(=O)N(C)[C@@H](C[NH2+]CC(C)C)C1CC1)[NH+](C)C ZINC001379017333 975599611 /nfs/dbraw/zinc/59/96/11/975599611.db2.gz GMLFRLPRSXEMBP-CABCVRRESA-N 2 0 283.460 1.809 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCN(C)C(=O)CCc1nccn1C ZINC001379075270 975643107 /nfs/dbraw/zinc/64/31/07/975643107.db2.gz XTRQKHXSTCHSPK-ZDUSSCGKSA-N 2 0 298.406 1.491 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CC[NH+](CCCF)C1 ZINC001405143583 975645529 /nfs/dbraw/zinc/64/55/29/975645529.db2.gz WUPHMPMEFDQWIO-ZDUSSCGKSA-N 2 0 273.396 1.219 10 0 CDAERP CC(C)[C@@H](C(=O)N(C)CC[N@H+](C)CC[C@@H](C)F)[NH+](C)C ZINC001379115016 975672846 /nfs/dbraw/zinc/67/28/46/975672846.db2.gz BVRIMVWIVFIWSO-KGLIPLIRSA-N 2 0 289.439 1.711 10 0 CDAERP CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001397687236 975680113 /nfs/dbraw/zinc/68/01/13/975680113.db2.gz UHTUOKUHLXCMDB-JKSUJKDBSA-N 2 0 289.423 1.542 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CC(C)(C)C1 ZINC001379320115 975762866 /nfs/dbraw/zinc/76/28/66/975762866.db2.gz FVMZBRGKYQSGOG-DZGCQCFKSA-N 2 0 295.471 1.811 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001401653970 975763428 /nfs/dbraw/zinc/76/34/28/975763428.db2.gz JBQSTERLDTVZES-UONOGXRCSA-N 2 0 299.459 1.238 10 0 CDAERP C[C@@H](C[N@H+](C)CC1CCCC1)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001401807406 975927220 /nfs/dbraw/zinc/92/72/20/975927220.db2.gz UMHJBCBREGZTGD-GOEBONIOSA-N 2 0 295.471 1.955 10 0 CDAERP CCCN(C(=O)CC[NH+](C)C)C1CC[NH+](C[C@@H](C)O)CC1 ZINC001398370722 975958243 /nfs/dbraw/zinc/95/82/43/975958243.db2.gz UPQJZIIMZTWQDJ-CQSZACIVSA-N 2 0 299.459 1.022 10 0 CDAERP CCC[N@@H+]1CC[C@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@H]12 ZINC001379631981 975969782 /nfs/dbraw/zinc/96/97/82/975969782.db2.gz PUMATVNOXVIWNQ-WMLDXEAASA-N 2 0 293.455 1.851 10 0 CDAERP CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1CC1CCCC1)[NH+](C)C ZINC001401886771 975972961 /nfs/dbraw/zinc/97/29/61/975972961.db2.gz FHYVOMSXDKFODQ-HOTGVXAUSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]([NH2+]CC2CC2)C2CC2)C1 ZINC001398455552 975995391 /nfs/dbraw/zinc/99/53/91/975995391.db2.gz QGAAQSUURHWORB-SWLSCSKDSA-N 2 0 279.428 1.223 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001398508279 976011089 /nfs/dbraw/zinc/01/10/89/976011089.db2.gz UIFSRFKHSPPBQW-IHRRRGAJSA-N 2 0 287.423 1.511 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCC2)C1)[NH+](C)C ZINC001398658531 976092147 /nfs/dbraw/zinc/09/21/47/976092147.db2.gz FPGXMZISRFNRHE-ZNMIVQPWSA-N 2 0 281.444 1.754 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H]1CCC[NH+](CC2CC2)C1 ZINC001390161023 976146696 /nfs/dbraw/zinc/14/66/96/976146696.db2.gz MBIQNEYMAJZPDV-ZBFHGGJFSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccccn1 ZINC001398972237 976274487 /nfs/dbraw/zinc/27/44/87/976274487.db2.gz YJUQVYVODHUYNR-UKRRQHHQSA-N 2 0 290.411 1.160 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CCCF ZINC001406717107 976380628 /nfs/dbraw/zinc/38/06/28/976380628.db2.gz HMSRWWWSNTXKEX-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)CC[NH2+][C@H](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001399319408 976438966 /nfs/dbraw/zinc/43/89/66/976438966.db2.gz RKLSXFZFUNQIQW-GDBMZVCRSA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001402790752 976483274 /nfs/dbraw/zinc/48/32/74/976483274.db2.gz SEZCIKBXEYQOHM-LSDHHAIUSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC2CC2)[C@@H](C)C1 ZINC001402818526 976497274 /nfs/dbraw/zinc/49/72/74/976497274.db2.gz UAGXCXGTLPFBIK-ZFWWWQNUSA-N 2 0 281.444 1.706 10 0 CDAERP C[NH+](C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CC[N@H+](CCF)C1 ZINC001406998509 976508424 /nfs/dbraw/zinc/50/84/24/976508424.db2.gz JARIIVLIZFHHTL-HUUCEWRRSA-N 2 0 299.434 1.611 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]C[C@H]2CC[C@@H](C)O2)CC1 ZINC001407004088 976509560 /nfs/dbraw/zinc/50/95/60/976509560.db2.gz JAQYOJUXVUAVIN-ZIAGYGMSSA-N 2 0 297.443 1.133 10 0 CDAERP C[C@@H](O)CCC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001380936222 976612084 /nfs/dbraw/zinc/61/20/84/976612084.db2.gz WAOVEITUFQWVSD-HUUCEWRRSA-N 2 0 299.459 1.070 10 0 CDAERP CN(CCC[N@H+](C)CCC1CC1)C(=O)[C@@H]1CCC[NH+]1C ZINC001380945165 976614805 /nfs/dbraw/zinc/61/48/05/976614805.db2.gz AYDPYALPIJVFJO-HNNXBMFYSA-N 2 0 281.444 1.661 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cncs1 ZINC001403011086 976658594 /nfs/dbraw/zinc/65/85/94/976658594.db2.gz GFMHPMWHIXZWMO-NEPJUHHUSA-N 2 0 298.456 1.468 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001391103841 976694231 /nfs/dbraw/zinc/69/42/31/976694231.db2.gz GANVSQMSZJPHDZ-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+](C/C=C\Cl)C2)C1 ZINC001391104080 976694366 /nfs/dbraw/zinc/69/43/66/976694366.db2.gz VMFSRSHXRRVPNA-HJHBSRAZSA-N 2 0 299.846 1.519 10 0 CDAERP CC(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+](C)C)C2 ZINC001408006401 976865143 /nfs/dbraw/zinc/86/51/43/976865143.db2.gz GUOLXTCDUPMBQP-KRWDZBQOSA-N 2 0 295.471 1.909 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CCC(C)([NH2+]C/C=C\Cl)CC2)C1 ZINC001408085912 976907900 /nfs/dbraw/zinc/90/79/00/976907900.db2.gz FULHGFMBZQAZBL-QTEJZOKPSA-N 2 0 299.846 1.661 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[N@H+](CCC2CC2)CC1(C)C)[NH+](C)C ZINC001403375351 976918897 /nfs/dbraw/zinc/91/88/97/976918897.db2.gz FABQSTKQSMNGLD-GJZGRUSLSA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@H](F)C[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001400226159 976939943 /nfs/dbraw/zinc/93/99/43/976939943.db2.gz FQCRRHZAUYRTFI-KGLIPLIRSA-N 2 0 287.423 1.467 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]1C ZINC001408171577 976951757 /nfs/dbraw/zinc/95/17/57/976951757.db2.gz IJZJYCVWHWEQEO-LSDHHAIUSA-N 2 0 283.460 1.952 10 0 CDAERP CC(C)[NH2+]C[C@@](C)(NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001391796379 977098435 /nfs/dbraw/zinc/09/84/35/977098435.db2.gz KUTSVZPSMCPRLX-OAHLLOKOSA-N 2 0 279.428 1.365 10 0 CDAERP CCC(CC)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001382161249 977195654 /nfs/dbraw/zinc/19/56/54/977195654.db2.gz KSWJSAPKOMMQCR-ZFWWWQNUSA-N 2 0 283.460 1.811 10 0 CDAERP CC[C@H](F)C[N@H+](CC)CCNC(=O)C[NH+]1CCCC1 ZINC001403941687 977274346 /nfs/dbraw/zinc/27/43/46/977274346.db2.gz UJARXXYMZKVZIG-ZDUSSCGKSA-N 2 0 273.396 1.268 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)C1CC1 ZINC001404261036 977382661 /nfs/dbraw/zinc/38/26/61/977382661.db2.gz BSYJROZMLLDLIH-CABCVRRESA-N 2 0 279.428 1.604 10 0 CDAERP CC[C@@H](C(=O)NC[C@]1(O)CC[N@@H+](C(C)C)C1)[NH+](CC)CC ZINC001393282334 977756035 /nfs/dbraw/zinc/75/60/35/977756035.db2.gz XQKVYKKKGYQVNR-GOEBONIOSA-N 2 0 299.459 1.068 10 0 CDAERP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[N@H+](CC[C@H](C)F)C[C@@H]2C1 ZINC001393420440 977785454 /nfs/dbraw/zinc/78/54/54/977785454.db2.gz XDPVIOGIEPCSJA-SOUVJXGZSA-N 2 0 299.434 1.465 10 0 CDAERP C[C@@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccon1 ZINC001393808249 977925582 /nfs/dbraw/zinc/92/55/82/977925582.db2.gz PYYMDUGCNUIKLU-GXTWGEPZSA-N 2 0 294.399 1.143 10 0 CDAERP CO[C@H](C)C[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001393862218 977936216 /nfs/dbraw/zinc/93/62/16/977936216.db2.gz RRWZMRMQWNQKEG-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP CC[NH2+][C@@H](C)[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001393984383 977994569 /nfs/dbraw/zinc/99/45/69/977994569.db2.gz CVMWOAQDRTZIBU-STQMWFEESA-N 2 0 281.444 1.611 10 0 CDAERP CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001394323267 978133182 /nfs/dbraw/zinc/13/31/82/978133182.db2.gz PTPKFCOEOHKKOL-TUVASFSCSA-N 2 0 279.428 1.032 10 0 CDAERP CC(C)[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]21 ZINC001394691658 978233184 /nfs/dbraw/zinc/23/31/84/978233184.db2.gz RKPFVKLEUSIROV-HRCADAONSA-N 2 0 295.471 1.952 10 0 CDAERP COCC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)C(C)C ZINC001394839527 978280928 /nfs/dbraw/zinc/28/09/28/978280928.db2.gz MOJKJWAREGTFOM-UHFFFAOYSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)[NH+]1CCC([C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001394845272 978281059 /nfs/dbraw/zinc/28/10/59/978281059.db2.gz BFVHPJUOGYCNQN-CABCVRRESA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001674142330 1173916767 /nfs/dbraw/zinc/91/67/67/1173916767.db2.gz QSJQZDUVUXLWHI-UONOGXRCSA-N 2 0 269.433 1.563 10 0 CDAERP CCOCCC[N@H+](C)[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001674992127 1174055913 /nfs/dbraw/zinc/05/59/13/1174055913.db2.gz TUSDTRRGDGIFTQ-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP CCCC[C@H](C[NH2+]CCC)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001675216738 1174084281 /nfs/dbraw/zinc/08/42/81/1174084281.db2.gz AWFDAAVWDPWVFS-ZIAGYGMSSA-N 2 0 269.433 1.755 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001675827283 1174152928 /nfs/dbraw/zinc/15/29/28/1174152928.db2.gz FOJSHTIFLSZZIJ-IHRRRGAJSA-N 2 0 285.407 1.315 10 0 CDAERP C[NH+](C)CCCCNC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000091360912 1174269998 /nfs/dbraw/zinc/26/99/98/1174269998.db2.gz XDPIBSLWDSZVJZ-ILXRZTDVSA-N 2 0 281.444 1.755 10 0 CDAERP CCC[NH2+]C[C@H](NC(=O)CC[N@H+](C)CC)C(C)(C)C ZINC001677296607 1174346685 /nfs/dbraw/zinc/34/66/85/1174346685.db2.gz AYOQZXCVPQSVGP-ZDUSSCGKSA-N 2 0 271.449 1.859 10 0 CDAERP COCCC[N@H+](C)[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001570720225 1170251942 /nfs/dbraw/zinc/25/19/42/1170251942.db2.gz NUMXFUQJKDKSGY-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP CC[NH2+]CCC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001571275047 1170358806 /nfs/dbraw/zinc/35/88/06/1170358806.db2.gz WKMJZIYWQNFSKV-OLZOCXBDSA-N 2 0 257.422 1.467 10 0 CDAERP CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001571301682 1170362453 /nfs/dbraw/zinc/36/24/53/1170362453.db2.gz ZUTBABVYJNBJFI-RDBSUJKOSA-N 2 0 269.433 1.611 10 0 CDAERP C[NH+](C)CCCCC(=O)N[C@@]12CCC[C@@H]1[N@H+](CCF)CC2 ZINC001571504373 1170456850 /nfs/dbraw/zinc/45/68/50/1170456850.db2.gz CWJLCLHCMOWZGZ-GOEBONIOSA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)N(CC[N@H+](C)C(C)C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001571616306 1170497068 /nfs/dbraw/zinc/49/70/68/1170497068.db2.gz YOJUNIABOAPWLW-AWEZNQCLSA-N 2 0 269.433 1.515 10 0 CDAERP C[NH+](C)CCC(=O)NCC1=CC[N@H+](CCCF)CC1 ZINC001571693544 1170525108 /nfs/dbraw/zinc/52/51/08/1170525108.db2.gz CJJKCLQGGMMGDM-UHFFFAOYSA-N 2 0 271.380 1.046 10 0 CDAERP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C)C1 ZINC001654911690 1171650385 /nfs/dbraw/zinc/65/03/85/1171650385.db2.gz CSMMQJLESNWKTC-CQSZACIVSA-N 2 0 269.433 1.519 10 0 CDAERP CCOC(=O)C1(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000600150109 341980236 /nfs/dbraw/zinc/98/02/36/341980236.db2.gz WPBHZZNZYXEAKE-GFCCVEGCSA-N 2 0 268.401 1.792 10 0 CDAERP C[NH+](C)CCCCNC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000426408041 282084043 /nfs/dbraw/zinc/08/40/43/282084043.db2.gz AZMSHDCHBSSRRG-CYBMUJFWSA-N 2 0 253.390 1.071 10 0 CDAERP CCN(CC)C(=O)C[C@@H](C)[NH2+]CCC1(C[NH3+])CC1 ZINC000650743568 398171583 /nfs/dbraw/zinc/17/15/83/398171583.db2.gz WPXHSZITSFUFTG-GFCCVEGCSA-N 2 0 255.406 1.352 10 0 CDAERP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000650743635 398172710 /nfs/dbraw/zinc/17/27/10/398172710.db2.gz YAHHPAQSBBRWOY-LBPRGKRZSA-N 2 0 296.436 1.870 10 0 CDAERP CC[C@H](Cn1cncn1)[NH2+]Cc1ccccc1C[NH2+]C ZINC000650757171 398181064 /nfs/dbraw/zinc/18/10/64/398181064.db2.gz QFRTXRJASHYEOP-OAHLLOKOSA-N 2 0 273.384 1.566 10 0 CDAERP CC(C)C[C@H]([NH3+])C[NH2+][C@@H]1CCCc2c1ccc(=O)n2C ZINC000650725010 398163886 /nfs/dbraw/zinc/16/38/86/398163886.db2.gz RDKXSWMFHGWNHY-GXTWGEPZSA-N 2 0 277.412 1.726 10 0 CDAERP COc1ccc2c(c1)OC1(CC[NH+](C)CC1)C[C@@H]2[NH3+] ZINC000082509394 178076050 /nfs/dbraw/zinc/07/60/50/178076050.db2.gz JBBKQLXLIZACLX-ZDUSSCGKSA-N 2 0 262.353 1.942 10 0 CDAERP COC(=O)c1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000601326244 342553839 /nfs/dbraw/zinc/55/38/39/342553839.db2.gz LAUYHOZZZSDXKM-BXUZGUMPSA-N 2 0 262.353 1.500 10 0 CDAERP COc1cncc(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000625214983 342041602 /nfs/dbraw/zinc/04/16/02/342041602.db2.gz XXDDLFYLONEARR-DGCLKSJQSA-N 2 0 264.373 1.400 10 0 CDAERP CCO[C@@H](C[N@H+](C)CCN(C)C1CC[NH+](C)CC1)C1CC1 ZINC000625265131 342060792 /nfs/dbraw/zinc/06/07/92/342060792.db2.gz IILIFCOPIFQCQB-KRWDZBQOSA-N 2 0 297.487 1.759 10 0 CDAERP [NH3+]C[C@@H]1C[NH2+]C[C@@H]1c1ccc(Br)cc1 ZINC000096884137 185120195 /nfs/dbraw/zinc/12/01/95/185120195.db2.gz RRSSAPMNUPUMLS-MWLCHTKSSA-N 2 0 255.159 1.711 10 0 CDAERP [NH3+]C1(C[NH2+]C2CCN(c3ccccc3)CC2)CCOCC1 ZINC000629389148 361893392 /nfs/dbraw/zinc/89/33/92/361893392.db2.gz VBILXLXFHXIWAI-UHFFFAOYSA-N 2 0 289.423 1.753 10 0 CDAERP [NH3+]C1(C[NH2+]C[C@H]2CCOc3ccccc32)CCOCC1 ZINC000629387430 361899646 /nfs/dbraw/zinc/89/96/46/361899646.db2.gz GUTRCQKRRDWLFE-CYBMUJFWSA-N 2 0 276.380 1.650 10 0 CDAERP CCc1cc(NC[C@@H]2COCCN2C)c2ccccc2[nH+]1 ZINC000624621010 342206729 /nfs/dbraw/zinc/20/67/29/342206729.db2.gz RGTPXBZQZLFXAR-CQSZACIVSA-N 2 0 285.391 1.962 10 0 CDAERP CC(C)OC(=O)CC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000593728650 342830082 /nfs/dbraw/zinc/83/00/82/342830082.db2.gz BETUIXUNPSVZAE-RBSFLKMASA-N 2 0 298.427 1.689 10 0 CDAERP C[C@@H](CC(=O)N1CCCCCC1)[NH2+]CCOCCC[NH3+] ZINC000629398307 361931906 /nfs/dbraw/zinc/93/19/06/361931906.db2.gz AFXDRENQAVLEDY-AWEZNQCLSA-N 2 0 285.432 1.123 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629416656 361979015 /nfs/dbraw/zinc/97/90/15/361979015.db2.gz TUFJJXRYESIMCV-DOMZBBRYSA-N 2 0 285.395 1.806 10 0 CDAERP COC(=O)CCCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000600712958 342243823 /nfs/dbraw/zinc/24/38/23/342243823.db2.gz ZXFGZVJKXZWEKA-ZIAGYGMSSA-N 2 0 268.401 1.794 10 0 CDAERP COC(=O)CCCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000600712956 342243848 /nfs/dbraw/zinc/24/38/48/342243848.db2.gz ZXFGZVJKXZWEKA-KGLIPLIRSA-N 2 0 268.401 1.794 10 0 CDAERP COc1nccnc1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453594311 252328490 /nfs/dbraw/zinc/32/84/90/252328490.db2.gz HUGJGZGZBJNKFL-UHFFFAOYSA-N 2 0 264.373 1.449 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000594915982 342985629 /nfs/dbraw/zinc/98/56/29/342985629.db2.gz ZESNSVARLDCDKX-ZMJPVWNMSA-N 2 0 266.385 1.258 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000594918185 342985933 /nfs/dbraw/zinc/98/59/33/342985933.db2.gz MNZJHJUDWOIUFG-BFHYXJOUSA-N 2 0 268.401 1.650 10 0 CDAERP CC[NH+]1CCC(C[NH2+][C@H](C)[C@@H]2C[C@H]2C(=O)OC)CC1 ZINC000594918997 342986494 /nfs/dbraw/zinc/98/64/94/342986494.db2.gz FNGCHEWBUMRLIC-KWCYVHTRSA-N 2 0 268.401 1.506 10 0 CDAERP COC(=O)[C@H](C)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595900156 343186622 /nfs/dbraw/zinc/18/66/22/343186622.db2.gz ABHAJYXPUHLQGB-AAEUAGOBSA-N 2 0 254.374 1.260 10 0 CDAERP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000645104712 362118804 /nfs/dbraw/zinc/11/88/04/362118804.db2.gz QXRKYEBFPNBTQZ-HWMZRRJGSA-N 2 0 293.455 1.885 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000085290529 342382537 /nfs/dbraw/zinc/38/25/37/342382537.db2.gz PUPWZHXNFLODNQ-KBPBESRZSA-N 2 0 283.460 1.953 10 0 CDAERP C(C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)OC1CCOCC1 ZINC000629534009 362172233 /nfs/dbraw/zinc/17/22/33/362172233.db2.gz IBSOXHMJXZBFDE-HOCLYGCPSA-N 2 0 282.428 1.646 10 0 CDAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)CC1 ZINC000626140256 342419724 /nfs/dbraw/zinc/41/97/24/342419724.db2.gz UWBXNDVQDTYNDV-GVDBMIGSSA-N 2 0 295.471 1.248 10 0 CDAERP CS[C@@H]1CC[C@H]1[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000597181546 343477422 /nfs/dbraw/zinc/47/74/22/343477422.db2.gz AJQIAVQDHQBNHH-BFHYXJOUSA-N 2 0 273.490 1.742 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000054308327 343799766 /nfs/dbraw/zinc/79/97/66/343799766.db2.gz SSHVWKVNSBWEMS-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP COCCN1CCC[C@H]1C[NH2+][C@@H](COC)C1CCCC1 ZINC000446837404 362383947 /nfs/dbraw/zinc/38/39/47/362383947.db2.gz ZSHPPRJYGPBKGK-HOTGVXAUSA-N 2 0 284.444 1.892 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)NC1CC[NH+](C)CC1 ZINC000043180201 344592910 /nfs/dbraw/zinc/59/29/10/344592910.db2.gz AUYQEBHLUWCGML-ZDUSSCGKSA-N 2 0 282.432 1.254 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCC[C@H]([NH3+])C1)[NH+]1CCC(C)CC1 ZINC000262304064 344697757 /nfs/dbraw/zinc/69/77/57/344697757.db2.gz QVXOMZLGAGCTKT-ILXRZTDVSA-N 2 0 281.444 1.741 10 0 CDAERP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000261918702 282388905 /nfs/dbraw/zinc/38/89/05/282388905.db2.gz YNKRQQQYMIEDSO-ARFHVFGLSA-N 2 0 293.455 1.552 10 0 CDAERP CCC[NH+]1CCC(NC(=O)NC[C@@H](C)[NH+](CC)CC)CC1 ZINC000073653319 345505902 /nfs/dbraw/zinc/50/59/02/345505902.db2.gz NRAHREVMPCMZCL-CQSZACIVSA-N 2 0 298.475 1.890 10 0 CDAERP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@@H]1CCCCO1 ZINC000623902518 345725716 /nfs/dbraw/zinc/72/57/16/345725716.db2.gz JXTPMJQOXWBHDO-ZBFHGGJFSA-N 2 0 283.460 1.560 10 0 CDAERP C[N@@H+]1CC[C@H](NC[C@H]2CC[NH+](C3CC3)C2)CC1(C)C ZINC000623356525 346083940 /nfs/dbraw/zinc/08/39/40/346083940.db2.gz VKVOAUVCSYWJQC-KGLIPLIRSA-N 2 0 265.445 1.933 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CCNC(=O)c2cccs2)CC1(C)C ZINC000623361384 346089402 /nfs/dbraw/zinc/08/94/02/346089402.db2.gz ZOOOUVUNVNJCRL-GFCCVEGCSA-N 2 0 295.452 1.940 10 0 CDAERP C[C@@H](C[C@](C)(O)C[NH3+])[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000085300347 179010535 /nfs/dbraw/zinc/01/05/35/179010535.db2.gz QPVNHZZFBXFJKJ-XQLPTFJDSA-N 2 0 254.418 1.987 10 0 CDAERP CCC[N@H+](CCCC[C@@](C)(O)C[NH3+])CCN(C)C ZINC000085303658 179011171 /nfs/dbraw/zinc/01/11/71/179011171.db2.gz PXDJMQWTBDOCPB-CQSZACIVSA-N 2 0 259.438 1.140 10 0 CDAERP [NH3+]C[C@](O)(C[N@@H+]1CCC[C@@H]2CCCC[C@H]21)C1CC1 ZINC000085300395 179010201 /nfs/dbraw/zinc/01/02/01/179010201.db2.gz FXFTZOVPKMYSMW-CFVMTHIKSA-N 2 0 252.402 1.741 10 0 CDAERP CCC1(CC)[C@H]([NH2+][C@@H](CCC[NH3+])COC)C[C@H]1OC ZINC000422941181 282455111 /nfs/dbraw/zinc/45/51/11/282455111.db2.gz ODZDWVJLAHNAFN-BFHYXJOUSA-N 2 0 272.433 1.924 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000085363896 179035472 /nfs/dbraw/zinc/03/54/72/179035472.db2.gz MYYOSRQHVSRGCA-KBPBESRZSA-N 2 0 267.417 1.493 10 0 CDAERP CCC(CC)[C@H](CNC(=O)[C@H]1CCCC[C@@H]1[NH3+])[NH+](C)C ZINC000085371141 179041154 /nfs/dbraw/zinc/04/11/54/179041154.db2.gz UKBHPAFBRVSEFB-KKUMJFAQSA-N 2 0 283.460 1.987 10 0 CDAERP CCCNC(=O)C[N@@H+]1CCCCC[C@H]1C1CC[NH2+]CC1 ZINC000085403599 179053149 /nfs/dbraw/zinc/05/31/49/179053149.db2.gz PNCCVBGJNNMIIE-HNNXBMFYSA-N 2 0 281.444 1.757 10 0 CDAERP CC(C)c1nc2c(n1[C@@H]1CCC[N@H+](C)C1)CC[NH2+]C2 ZINC000085572156 179096859 /nfs/dbraw/zinc/09/68/59/179096859.db2.gz JTHOEDBSGCQQSF-GFCCVEGCSA-N 2 0 262.401 1.919 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+]CCN2CC[NH+](C)CC2)C12CCCC2 ZINC000085680062 179113317 /nfs/dbraw/zinc/11/33/17/179113317.db2.gz GRFZCAVBCXGNAA-JKSUJKDBSA-N 2 0 295.471 1.561 10 0 CDAERP C[NH+]1CCN(CCC[NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000085630446 179108165 /nfs/dbraw/zinc/10/81/65/179108165.db2.gz QZHFZOYOYDBHFO-KKUMJFAQSA-N 2 0 281.444 1.027 10 0 CDAERP CCN(CCC[NH+](CC)CC)C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000230713056 346556299 /nfs/dbraw/zinc/55/62/99/346556299.db2.gz ASWAVWOOPHHPJW-OAHLLOKOSA-N 2 0 269.433 1.709 10 0 CDAERP C[C@H]1CC[N@H+](CCN[C@@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623437375 346755848 /nfs/dbraw/zinc/75/58/48/346755848.db2.gz CVWJVVMTGCXGIW-UONOGXRCSA-N 2 0 253.434 1.791 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612879513 347312674 /nfs/dbraw/zinc/31/26/74/347312674.db2.gz YMKXYMRKCRVVAP-NFAWXSAZSA-N 2 0 282.432 1.301 10 0 CDAERP Cn1cc(CNCCC[NH+]2CCC2)c(C(C)(C)C)n1 ZINC000569708964 362821018 /nfs/dbraw/zinc/82/10/18/362821018.db2.gz WOCBXIHYTYBTGL-UHFFFAOYSA-N 2 0 264.417 1.903 10 0 CDAERP C[NH+](C)CCCN1CC[NH2+][C@@H](C2CCCCC2)C1 ZINC000086127431 179236089 /nfs/dbraw/zinc/23/60/89/179236089.db2.gz AJCRYEDAKOZSNQ-OAHLLOKOSA-N 2 0 253.434 1.792 10 0 CDAERP C[C@@H]1C[NH2+][C@H](Cc2ccccc2)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086172115 179244577 /nfs/dbraw/zinc/24/45/77/179244577.db2.gz SOMYXSCOTCFKIS-KBAYOESNSA-N 2 0 287.451 1.986 10 0 CDAERP C[N@@H+]1CCC[C@H](CN2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000086145785 179239114 /nfs/dbraw/zinc/23/91/14/179239114.db2.gz BJBICZARAHOKMQ-RDJZCZTQSA-N 2 0 273.424 1.975 10 0 CDAERP CC(C)[C@H]1C[NH2+][C@H](C2CC2)CN1C1CC[NH+](C)CC1 ZINC000086217816 179249817 /nfs/dbraw/zinc/24/98/17/179249817.db2.gz XXRHPGJMJHMJCL-JKSUJKDBSA-N 2 0 265.445 1.789 10 0 CDAERP C[C@@H]1CNC2(CCCC2)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086259083 179256870 /nfs/dbraw/zinc/25/68/70/179256870.db2.gz BHQMEUWRKVPPPI-CQSZACIVSA-N 2 0 265.445 1.935 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+][C@@H](CO)C2CCCC2)CC1(C)C ZINC000623528876 347617447 /nfs/dbraw/zinc/61/74/47/347617447.db2.gz JFVFPLDNYJROHD-KGLIPLIRSA-N 2 0 254.418 2.000 10 0 CDAERP C[NH+](C)CCCC(C)(C)NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000635991263 362847696 /nfs/dbraw/zinc/84/76/96/362847696.db2.gz KSGZBUNVZHXWOZ-VXGBXAGGSA-N 2 0 278.400 1.750 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)CC[C@H]2CCC[NH2+]C2)C1 ZINC000250192421 365956523 /nfs/dbraw/zinc/95/65/23/365956523.db2.gz ALJJPRCANXSHKL-KGLIPLIRSA-N 2 0 267.417 1.367 10 0 CDAERP CC[NH+](CC)C[C@H]1CO[C@@H](C[NH+](CC)CC)CO1 ZINC000048552890 348747991 /nfs/dbraw/zinc/74/79/91/348747991.db2.gz IWLXNTQVZJAVKA-KBPBESRZSA-N 2 0 258.406 1.454 10 0 CDAERP C[C@H](C(=O)N1CCCC1)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000104445947 186005015 /nfs/dbraw/zinc/00/50/15/186005015.db2.gz ICVBUFMMTWYQJF-NWDGAFQWSA-N 2 0 253.390 1.057 10 0 CDAERP CC[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H](C)[NH2+]1 ZINC000620897133 350367884 /nfs/dbraw/zinc/36/78/84/350367884.db2.gz QPSYDGOXVRRSFG-DZGCQCFKSA-N 2 0 281.444 1.706 10 0 CDAERP CC(C)[C@H]1CN(C(=O)c2ccc(C[NH+](C)C)nc2)CC[NH2+]1 ZINC000621158880 350467361 /nfs/dbraw/zinc/46/73/61/350467361.db2.gz ZMMXFJZTEUPRJY-OAHLLOKOSA-N 2 0 290.411 1.213 10 0 CDAERP C[C@@H]([NH2+]CCOCCC[NH3+])c1ccccc1-n1ccnn1 ZINC000629534603 362959379 /nfs/dbraw/zinc/95/93/79/362959379.db2.gz AJGZHDAGBAZTQH-CYBMUJFWSA-N 2 0 289.383 1.283 10 0 CDAERP C[C@@H]1CN(C(=O)CC[C@H]2CCC[NH2+]C2)C[C@@]1(C)C[NH3+] ZINC000621664995 350701529 /nfs/dbraw/zinc/70/15/29/350701529.db2.gz NEVJVDAHUUNXLR-UMVBOHGHSA-N 2 0 267.417 1.210 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)CCc1ccc(OC)cc1 ZINC000629565753 363010555 /nfs/dbraw/zinc/01/05/55/363010555.db2.gz GUKYEDWLEFHGOZ-UHFFFAOYSA-N 2 0 266.385 1.406 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000629566232 363012137 /nfs/dbraw/zinc/01/21/37/363012137.db2.gz IJUUZUQYGUBUJV-ZNMIVQPWSA-N 2 0 299.459 1.238 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1cccc(-n2cccn2)c1 ZINC000629571789 363026924 /nfs/dbraw/zinc/02/69/24/363026924.db2.gz JFKNFBPMJSCZON-UHFFFAOYSA-N 2 0 288.395 1.540 10 0 CDAERP O=C(NCc1cn2c(n1)CCCC2)N[C@H]1CCCC[NH2+]C1 ZINC000333579597 363042249 /nfs/dbraw/zinc/04/22/49/363042249.db2.gz NMZDYEAYANBUHD-LBPRGKRZSA-N 2 0 291.399 1.161 10 0 CDAERP C[NH+](C)CCOc1ccc(C[NH2+]Cc2cn[nH]c2)cc1 ZINC000624213781 351486266 /nfs/dbraw/zinc/48/62/66/351486266.db2.gz DJOMGVJTHMLFNE-UHFFFAOYSA-N 2 0 274.368 1.640 10 0 CDAERP CC(C)[NH2+]CCCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000569918946 363208395 /nfs/dbraw/zinc/20/83/95/363208395.db2.gz ZHDBIPNBOLJISG-RBSFLKMASA-N 2 0 253.434 1.837 10 0 CDAERP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](COC)CC1 ZINC000569938284 363226913 /nfs/dbraw/zinc/22/69/13/363226913.db2.gz VTJXXCWNKANSOK-KGLIPLIRSA-N 2 0 258.406 1.048 10 0 CDAERP C1=C(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)COCC1 ZINC000629651437 363256355 /nfs/dbraw/zinc/25/63/55/363256355.db2.gz GJDZQFCACZRHTD-CABCVRRESA-N 2 0 250.386 1.797 10 0 CDAERP [NH3+]CCCOCC[NH2+]Cc1ccnn1-c1ccccc1 ZINC000629677872 363327771 /nfs/dbraw/zinc/32/77/71/363327771.db2.gz IEYUDPQKOXHZFC-UHFFFAOYSA-N 2 0 274.368 1.327 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC[N@@H+](C3CCCC3)CC2)CC[NH2+]1 ZINC000262416434 291037586 /nfs/dbraw/zinc/03/75/86/291037586.db2.gz QAMNMGBRIKNKRT-GJZGRUSLSA-N 2 0 293.455 1.851 10 0 CDAERP Cc1cnn(CC[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000336369514 363456779 /nfs/dbraw/zinc/45/67/79/363456779.db2.gz KRQYIQVWFYBZOX-OAHLLOKOSA-N 2 0 262.401 1.609 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2(CO)CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000375863215 283134218 /nfs/dbraw/zinc/13/42/18/283134218.db2.gz WATYIJDTRVOKIJ-KKUMJFAQSA-N 2 0 282.428 1.238 10 0 CDAERP C[C@@H](C(=O)N1CC[NH+]2CCC1CC2)[NH+]1CCCCCC1 ZINC000336346874 356149471 /nfs/dbraw/zinc/14/94/71/356149471.db2.gz LCQMFQCPMRRCRZ-AWEZNQCLSA-N 2 0 279.428 1.558 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)C1 ZINC000569473796 358501603 /nfs/dbraw/zinc/50/16/03/358501603.db2.gz WERBULAFQPKQAH-RBSFLKMASA-N 2 0 279.428 1.413 10 0 CDAERP CN(C)c1cc[nH+]cc1C(=O)NCCCC[NH+](C)C ZINC000273631719 192237806 /nfs/dbraw/zinc/23/78/06/192237806.db2.gz SJHKPKKMHSCARB-UHFFFAOYSA-N 2 0 264.373 1.219 10 0 CDAERP C[N@@H+]1CCN(CC[NH2+]CC2CC2)[C@H](c2ccccc2)C1 ZINC000037613564 356508724 /nfs/dbraw/zinc/50/87/24/356508724.db2.gz UIVBSCQPFMGXDC-KRWDZBQOSA-N 2 0 273.424 1.975 10 0 CDAERP CC(C)(C)N1CC[C@H]1C[NH2+]C[C@H](O)C[C@](C)(O)C1CC1 ZINC000634648966 356635040 /nfs/dbraw/zinc/63/50/40/356635040.db2.gz CZARCYLPLWYSPE-LZWOXQAQSA-N 2 0 284.444 1.361 10 0 CDAERP O=C(CC1CC[NH2+]CC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000038075858 356628046 /nfs/dbraw/zinc/62/80/46/356628046.db2.gz DNKQDHHZVBTCIN-CQSZACIVSA-N 2 0 265.401 1.073 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000070576894 356900579 /nfs/dbraw/zinc/90/05/79/356900579.db2.gz LOAZFJLGNFQTTH-KGLIPLIRSA-N 2 0 281.444 1.837 10 0 CDAERP C[NH+]1CCC(CC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000643971147 363572562 /nfs/dbraw/zinc/57/25/62/363572562.db2.gz WHWSZNFMOJVZOB-UHFFFAOYSA-N 2 0 299.378 1.938 10 0 CDAERP O[C@@H]1C[N@H+](Cc2ccc(-n3ccnc3)cc2)CC12CC2 ZINC000336454497 363584524 /nfs/dbraw/zinc/58/45/24/363584524.db2.gz WEAWNGQFIPKRIJ-OAHLLOKOSA-N 2 0 269.348 1.829 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634772000 358534638 /nfs/dbraw/zinc/53/46/38/358534638.db2.gz RBLMONXDUFMZOX-ZFWWWQNUSA-N 2 0 267.417 1.176 10 0 CDAERP CC[NH+](CC)CCCNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054290258 358710759 /nfs/dbraw/zinc/71/07/59/358710759.db2.gz NFOSMUFLVUUFNK-ZDUSSCGKSA-N 2 0 255.406 1.224 10 0 CDAERP C[C@H](CNC(=O)C[C@H]1CCC[NH2+]C1)C[NH+]1CCCC1 ZINC000062076566 358800283 /nfs/dbraw/zinc/80/02/83/358800283.db2.gz FVMLUCJOFWQDHL-ZIAGYGMSSA-N 2 0 267.417 1.224 10 0 CDAERP O=C(CC[C@@H]1CC[NH2+]C1)NCCC[NH2+]Cc1cccnc1 ZINC000564947602 359020313 /nfs/dbraw/zinc/02/03/13/359020313.db2.gz RFCLCLFNJOAUSY-CQSZACIVSA-N 2 0 290.411 1.067 10 0 CDAERP C[NH2+][C@@H]1CCCN(C(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000335168648 359009800 /nfs/dbraw/zinc/00/98/00/359009800.db2.gz JCZBVBSZICZLMJ-WLYUNCDWSA-N 2 0 294.443 1.397 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1C[C@@H](C)[NH2+]C[C@H]1C ZINC000262008038 359121909 /nfs/dbraw/zinc/12/19/09/359121909.db2.gz MBWOOMYDRRHXMH-CHWSQXEVSA-N 2 0 285.395 1.758 10 0 CDAERP C[C@]1(C[N@@H+]2CCC[C@H]2C2CCOCC2)CC[NH2+]C1 ZINC000261980338 359112724 /nfs/dbraw/zinc/11/27/24/359112724.db2.gz JCRXSJNESCHKRO-GJZGRUSLSA-N 2 0 252.402 1.877 10 0 CDAERP [NH3+]CCC(=O)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000262936706 359201936 /nfs/dbraw/zinc/20/19/36/359201936.db2.gz MWPBUGSBQBMDNI-ZDUSSCGKSA-N 2 0 293.436 1.568 10 0 CDAERP C[C@H]([NH3+])CCC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309679749 359295399 /nfs/dbraw/zinc/29/53/99/359295399.db2.gz YYUCNPFPZVCMSS-HOCLYGCPSA-N 2 0 289.423 1.752 10 0 CDAERP C[N@H+](CCCO)C1CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC000347452967 359378392 /nfs/dbraw/zinc/37/83/92/359378392.db2.gz ZXJWTYQMPYANJY-INIZCTEOSA-N 2 0 284.444 1.724 10 0 CDAERP CC[NH+](CC)CC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000365408666 359410041 /nfs/dbraw/zinc/41/00/41/359410041.db2.gz CUWHEDXWWNNHLE-UHFFFAOYSA-N 2 0 267.417 1.461 10 0 CDAERP C[N@H+]1C[C@@H]2C[NH+](C[C@H](O)C3CCCCC3)C[C@@H]2C1 ZINC000365510588 359508507 /nfs/dbraw/zinc/50/85/07/359508507.db2.gz KNOGVJTXMIBIPY-ZNMIVQPWSA-N 2 0 252.402 1.421 10 0 CDAERP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCNC(=O)c1ccccc1 ZINC000422914961 359672579 /nfs/dbraw/zinc/67/25/79/359672579.db2.gz WVBQSSFGTTZWNV-LSDHHAIUSA-N 2 0 275.396 1.666 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCn2ccnc2)[C@@H](C)C1 ZINC000336705322 359740258 /nfs/dbraw/zinc/74/02/58/359740258.db2.gz JISRYAMMFFUVSW-KBPBESRZSA-N 2 0 250.390 1.545 10 0 CDAERP C[C@@H](CNC(=O)N(C)CCC[NH+](C)C)[N@H+](C)C1CC1 ZINC000185987557 363678678 /nfs/dbraw/zinc/67/86/78/363678678.db2.gz JIVGRQPWVPPGOM-LBPRGKRZSA-N 2 0 270.421 1.062 10 0 CDAERP Nc1ncccc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062035159 359951766 /nfs/dbraw/zinc/95/17/66/359951766.db2.gz FZOQUUREWSLZFP-UHFFFAOYSA-N 2 0 274.412 1.972 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCN[C@H]1CCC[NH2+]CC1 ZINC000252785136 140325022 /nfs/dbraw/zinc/32/50/22/140325022.db2.gz OXLGHPHUOJIEPH-CABCVRRESA-N 2 0 253.434 1.983 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000626935143 360653976 /nfs/dbraw/zinc/65/39/76/360653976.db2.gz YBZONIJESDDOLR-MCIONIFRSA-N 2 0 282.432 1.301 10 0 CDAERP C[C@@H](CNC(=O)N[C@@H]1CC[NH2+][C@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000626934921 360654451 /nfs/dbraw/zinc/65/44/51/360654451.db2.gz RGPMQGSHJSYMFD-ZOBORPQBSA-N 2 0 282.432 1.156 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000626919679 360634784 /nfs/dbraw/zinc/63/47/84/360634784.db2.gz KYWBXDJJIWAXQS-NWANDNLSSA-N 2 0 290.411 1.339 10 0 CDAERP O=C(NC1CC[NH+](C2CC2)CC1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000635169151 360887739 /nfs/dbraw/zinc/88/77/39/360887739.db2.gz WJLCJAWQBFRNBM-CHWSQXEVSA-N 2 0 274.368 1.256 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC[N@@H+]1C ZINC000246581869 360886831 /nfs/dbraw/zinc/88/68/31/360886831.db2.gz VQSNVNJVBUMSEL-AAVRWANBSA-N 2 0 267.417 1.445 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000417240904 296026325 /nfs/dbraw/zinc/02/63/25/296026325.db2.gz QLFRVIROSCFXSJ-UPJWGTAASA-N 2 0 284.448 1.532 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000417221072 296026411 /nfs/dbraw/zinc/02/64/11/296026411.db2.gz NDFGOOGMRMJOTR-RQJABVFESA-N 2 0 298.475 1.778 10 0 CDAERP C[NH+]1CCC(CC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000336571602 363759862 /nfs/dbraw/zinc/75/98/62/363759862.db2.gz MIUVDDLXJIICOU-GJZGRUSLSA-N 2 0 279.428 1.461 10 0 CDAERP CC(C)[C@H]([NH3+])C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000011953892 361390611 /nfs/dbraw/zinc/39/06/11/361390611.db2.gz YCXONNMMRGUSCC-LBPRGKRZSA-N 2 0 255.406 1.350 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000418388676 291280071 /nfs/dbraw/zinc/28/00/71/291280071.db2.gz STRHONJKZLKMRZ-DRZSPHRISA-N 2 0 268.405 1.025 10 0 CDAERP CC1CC[NH+](CC(=O)N2CCC([NH+](C)C)CC2)CC1 ZINC000336616463 363838833 /nfs/dbraw/zinc/83/88/33/363838833.db2.gz DCKHUNRORKDPJJ-UHFFFAOYSA-N 2 0 267.417 1.271 10 0 CDAERP CC1(C)CCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000102950604 364592769 /nfs/dbraw/zinc/59/27/69/364592769.db2.gz OLFDPIMJMHVPCG-UHFFFAOYSA-N 2 0 279.428 1.604 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)N(C)CCC[NH+](C)C)C[N@@H+]1C1CC1 ZINC000186414936 364578745 /nfs/dbraw/zinc/57/87/45/364578745.db2.gz TUYUNSBNZCFEIA-CHWSQXEVSA-N 2 0 282.432 1.205 10 0 CDAERP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@@H](C)COC)CC1 ZINC000187856831 364842214 /nfs/dbraw/zinc/84/22/14/364842214.db2.gz CFLXUQARZJPTBW-HUUCEWRRSA-N 2 0 271.449 1.132 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001661045475 1172328301 /nfs/dbraw/zinc/32/83/01/1172328301.db2.gz KOWUMIPYBNLAHU-LFAOLKIESA-N 2 0 281.444 1.873 10 0 CDAERP Cc1noc(CCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)n1 ZINC000353388353 365175959 /nfs/dbraw/zinc/17/59/59/365175959.db2.gz QIHHCAOYARHLJZ-MGPQQGTHSA-N 2 0 278.400 1.773 10 0 CDAERP C[N@@H+]1CC[C@H](NCC[NH+]2CCCC2)[C@@H]2CCC[C@@H]21 ZINC000353435573 365203689 /nfs/dbraw/zinc/20/36/89/365203689.db2.gz MKTYZWRDNXKFLP-KKUMJFAQSA-N 2 0 251.418 1.545 10 0 CDAERP CC[C@@H]1C[C@H](CN(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC000566705593 370795663 /nfs/dbraw/zinc/79/56/63/370795663.db2.gz LPODUVUFUXCLCX-HZPDHXFCSA-N 2 0 285.476 1.617 10 0 CDAERP COCCN1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000353527585 365277552 /nfs/dbraw/zinc/27/75/52/365277552.db2.gz DGWZCBQFSAQDCA-ZJIFWQFVSA-N 2 0 281.444 1.170 10 0 CDAERP CC[N@H+](C)[C@@H](C(=O)N1CC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000171482010 365291252 /nfs/dbraw/zinc/29/12/52/365291252.db2.gz QBUKEYRVUXTRIH-JKSUJKDBSA-N 2 0 289.423 1.842 10 0 CDAERP Cc1nnc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)s1 ZINC000353563965 365300459 /nfs/dbraw/zinc/30/04/59/365300459.db2.gz GUMRANOOQAUFFX-YNEHKIRRSA-N 2 0 280.441 1.851 10 0 CDAERP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)[C@@H]1C[C@H]1C ZINC000414055680 241047269 /nfs/dbraw/zinc/04/72/69/241047269.db2.gz CVQWFCZMWYKKEU-IIAWOOMASA-N 2 0 288.439 1.968 10 0 CDAERP CC(C)([NH3+])c1nocc1C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000566865980 370831868 /nfs/dbraw/zinc/83/18/68/370831868.db2.gz GSFJORPGASLFKG-UHFFFAOYSA-N 2 0 292.383 1.212 10 0 CDAERP C[C@H](CCNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)[NH+]1CCCCC1 ZINC000627013426 367237385 /nfs/dbraw/zinc/23/73/85/367237385.db2.gz LTJLROVLWRLPNX-KFWWJZLASA-N 2 0 296.459 1.691 10 0 CDAERP CCC[N@H+](C)CC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000357896362 367286443 /nfs/dbraw/zinc/28/64/43/367286443.db2.gz IIFUMBZTDMOUJU-UHFFFAOYSA-N 2 0 267.417 1.461 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N(CC[NH+](C)C)c2ccccc2)C1 ZINC000565180465 367303100 /nfs/dbraw/zinc/30/31/00/367303100.db2.gz LVQHJDDVJVDCJH-OAHLLOKOSA-N 2 0 289.423 1.923 10 0 CDAERP [NH3+][C@@H]1CCC[C@H](C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000227183102 367389739 /nfs/dbraw/zinc/38/97/39/367389739.db2.gz XHCIZHUWCBGCCP-ZNMIVQPWSA-N 2 0 279.428 1.591 10 0 CDAERP C[C@H](CCCC[NH3+])NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627092396 367427227 /nfs/dbraw/zinc/42/72/27/367427227.db2.gz BMPJJZGECMZUHJ-YUELXQCFSA-N 2 0 282.432 1.145 10 0 CDAERP CC1=CC[N@H+](CCNC(=O)NC2CC[NH+](C)CC2)CC1 ZINC000358196056 367505204 /nfs/dbraw/zinc/50/52/04/367505204.db2.gz MOUWNYMCUHARCW-UHFFFAOYSA-N 2 0 280.416 1.032 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000627168248 367603205 /nfs/dbraw/zinc/60/32/05/367603205.db2.gz QYWBFCNTJMERSQ-QLFBSQMISA-N 2 0 294.443 1.397 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000627167559 367603230 /nfs/dbraw/zinc/60/32/30/367603230.db2.gz HKBXPQRTQUZWPS-UONOGXRCSA-N 2 0 282.432 1.299 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000627158803 367587618 /nfs/dbraw/zinc/58/76/18/367587618.db2.gz DYKKYBQQRVDBTA-SOUVJXGZSA-N 2 0 294.443 1.158 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCn1c(C)nc2ccccc21 ZINC000234722404 367620210 /nfs/dbraw/zinc/62/02/10/367620210.db2.gz WIBCJKQIEGPTNL-CQSZACIVSA-N 2 0 290.411 1.688 10 0 CDAERP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627198362 367688200 /nfs/dbraw/zinc/68/82/00/367688200.db2.gz KOYHITDWGIAYQX-MGPQQGTHSA-N 2 0 282.432 1.109 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N2CC[NH+](C3CCC3)CC2)C[NH2+]1 ZINC000627198935 367689163 /nfs/dbraw/zinc/68/91/63/367689163.db2.gz PETVUBXBWTZGNZ-OLZOCXBDSA-N 2 0 280.416 1.007 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)NC(C)(C)CCC[NH+](C)C)C[NH2+]1 ZINC000627208942 367707314 /nfs/dbraw/zinc/70/73/14/367707314.db2.gz ZZIKWNCGVQRWOY-OLZOCXBDSA-N 2 0 284.448 1.547 10 0 CDAERP [NH3+][C@H]1CC=C(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000638051815 367814684 /nfs/dbraw/zinc/81/46/84/367814684.db2.gz RZFHOMXALDYKRX-HOTGVXAUSA-N 2 0 285.391 1.425 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000627237054 367798728 /nfs/dbraw/zinc/79/87/28/367798728.db2.gz AYBBSWKBWHTYOA-DZGCQCFKSA-N 2 0 294.443 1.397 10 0 CDAERP CO[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000423069791 294337757 /nfs/dbraw/zinc/33/77/57/294337757.db2.gz MEKUBSVHZRTEGZ-HOSYDEDBSA-N 2 0 251.374 1.923 10 0 CDAERP CO[C@H](C)[C@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000347199968 294336195 /nfs/dbraw/zinc/33/61/95/294336195.db2.gz CKRTYUUVLNDJHS-MJBXVCDLSA-N 2 0 287.448 1.092 10 0 CDAERP CC(C)[NH+](C/C=C\C[N@@H+](C[C@H](C)O)C(C)C)C[C@H](C)O ZINC000340148688 367993631 /nfs/dbraw/zinc/99/36/31/367993631.db2.gz AKBSJNGOPGODBR-FLELRFNZSA-N 2 0 286.460 1.725 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)CCC2C[NH2+]C2)CC1 ZINC000638077129 368123741 /nfs/dbraw/zinc/12/37/41/368123741.db2.gz XSEAGJJQYFCHNF-UHFFFAOYSA-N 2 0 267.417 1.319 10 0 CDAERP Cc1nc2[nH]ccc2c(NCC2=CC[N@H+](C)CC2)n1 ZINC000538292466 368263069 /nfs/dbraw/zinc/26/30/69/368263069.db2.gz ROUWTGXDGPDXFM-UHFFFAOYSA-N 2 0 257.341 1.362 10 0 CDAERP O=C(CCC1C[NH2+]C1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000638098732 368333563 /nfs/dbraw/zinc/33/35/63/368333563.db2.gz DRGJFGBFMQCTQP-CQSZACIVSA-N 2 0 265.401 1.073 10 0 CDAERP CC(C)[C@@H]([NH3+])CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000418415054 243047888 /nfs/dbraw/zinc/04/78/88/243047888.db2.gz UCVINZMEGMLGLH-FZMZJTMJSA-N 2 0 278.400 1.489 10 0 CDAERP CN(CC1CC[NH+](C)CC1)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418545866 243200384 /nfs/dbraw/zinc/20/03/84/243200384.db2.gz GXDGTGVSSPNJTE-CQSZACIVSA-N 2 0 282.432 1.112 10 0 CDAERP c1c(C[NH2+]CCN2CC[NH2+]CC2)[nH]nc1-c1ccccc1 ZINC000414870065 368453282 /nfs/dbraw/zinc/45/32/82/368453282.db2.gz RZCZIZUIXVMORP-UHFFFAOYSA-N 2 0 285.395 1.072 10 0 CDAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418579624 243234230 /nfs/dbraw/zinc/23/42/30/243234230.db2.gz RRJNRPZNHZMBJX-XUXIUFHCSA-N 2 0 282.432 1.049 10 0 CDAERP Cc1n[nH]c(C)c1CNCCC[NH2+]Cc1cccnc1 ZINC000414873120 368527722 /nfs/dbraw/zinc/52/77/22/368527722.db2.gz GPUFXMOBCRCKSY-UHFFFAOYSA-N 2 0 273.384 1.691 10 0 CDAERP C[C@@H]1[C@H](C)N(C(=O)CCN(C)c2cc[nH+]cc2)CC[N@H+]1C ZINC000540925539 368571527 /nfs/dbraw/zinc/57/15/27/368571527.db2.gz WXXGXPPMGKNRMS-KGLIPLIRSA-N 2 0 290.411 1.459 10 0 CDAERP CCC[NH+]1CCC(NC(=O)N(C)CCC[NH+](C)C)CC1 ZINC000541817009 368681398 /nfs/dbraw/zinc/68/13/98/368681398.db2.gz AOVWRRBMCZCJES-UHFFFAOYSA-N 2 0 284.448 1.454 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)[C@@H]1C ZINC000361329556 368753578 /nfs/dbraw/zinc/75/35/78/368753578.db2.gz BMTWTMAGLFMNNN-CHWSQXEVSA-N 2 0 279.428 1.460 10 0 CDAERP C[C@@H](CCCC[NH3+])NC(=O)C12CCC[NH+](CCC1)C2 ZINC000638242241 368837681 /nfs/dbraw/zinc/83/76/81/368837681.db2.gz NERDEDUBLVORMI-ZDUSSCGKSA-N 2 0 267.417 1.496 10 0 CDAERP CCOC(=O)CCCC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420375974 244167395 /nfs/dbraw/zinc/16/73/95/244167395.db2.gz OVNUBJNVDVLNBM-OAHLLOKOSA-N 2 0 268.401 1.795 10 0 CDAERP CCC[NH+](CCC)CCCNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170837090 369715257 /nfs/dbraw/zinc/71/52/57/369715257.db2.gz QWTQKMRQEGYOEI-HNNXBMFYSA-N 2 0 298.475 1.844 10 0 CDAERP C[C@@H]([NH2+][C@@H](C)c1ccc(NC(N)=O)cc1)[C@@H]1CC[NH2+]C1 ZINC000400494865 296150573 /nfs/dbraw/zinc/15/05/73/296150573.db2.gz HCHCQQMVDQXZJH-DMDPSCGWSA-N 2 0 276.384 1.826 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353526949 369969210 /nfs/dbraw/zinc/96/92/10/369969210.db2.gz BVRXQXALOFZEBI-VQHPVUNQSA-N 2 0 297.487 1.806 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000119522913 370146285 /nfs/dbraw/zinc/14/62/85/370146285.db2.gz JTNMYVDNPHLPLS-KBPBESRZSA-N 2 0 298.475 1.746 10 0 CDAERP C[C@]1(CNC(=O)NCC2([NH3+])CCCCCC2)CCC[NH2+]C1 ZINC000418282542 370449885 /nfs/dbraw/zinc/44/98/85/370449885.db2.gz HHYJDMNONNJQBR-HNNXBMFYSA-N 2 0 296.459 1.727 10 0 CDAERP C[C@@H](C[C@@H]1COCC[NH2+]1)NCC[N@H+](C)C1CCCCC1 ZINC000422698762 245155264 /nfs/dbraw/zinc/15/52/64/245155264.db2.gz AWFRXPCDCQRTQF-LSDHHAIUSA-N 2 0 283.460 1.608 10 0 CDAERP COCC[N@H+](C)CCCN[C@@H]1CC[NH+](C)[C@H]2CCC[C@H]21 ZINC000375855579 371004464 /nfs/dbraw/zinc/00/44/64/371004464.db2.gz AVQXAEKATGSINT-XHSDSOJGSA-N 2 0 283.460 1.417 10 0 CDAERP CCC[C@@H](C(=O)N1CC[C@H](C[NH+](CC)CC)C1)[NH+](C)C ZINC000122843346 371105952 /nfs/dbraw/zinc/10/59/52/371105952.db2.gz ISCTYVRBDGHAFB-CABCVRRESA-N 2 0 283.460 1.907 10 0 CDAERP C[C@H](C[C@H]1COCC[NH2+]1)NCC[N@@H+]1CCCC[C@@H]1C ZINC000422857460 245340900 /nfs/dbraw/zinc/34/09/00/245340900.db2.gz HRJUZTNKXRPXNB-ILXRZTDVSA-N 2 0 269.433 1.217 10 0 CDAERP C[C@@H](O)CCC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000354741488 296170281 /nfs/dbraw/zinc/17/02/81/296170281.db2.gz XPBFFDJBGQFKOJ-VPSFDDGASA-N 2 0 295.471 1.390 10 0 CDAERP CO[C@@H](C)c1noc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC000572961482 371361693 /nfs/dbraw/zinc/36/16/93/371361693.db2.gz BFUBGBAZEAINCG-SDDRHHMPSA-N 2 0 280.372 1.208 10 0 CDAERP C[C@H](CCC(C)(C)C)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000572993215 371374558 /nfs/dbraw/zinc/37/45/58/371374558.db2.gz SPMIVNIYNGEWQU-CABCVRRESA-N 2 0 285.476 1.399 10 0 CDAERP Cc1cc(NC(=O)CN2CC(C)(C)C2)cn2ccnc12 ZINC000573105678 371424088 /nfs/dbraw/zinc/42/40/88/371424088.db2.gz DKBXAQWPDZEVPM-UHFFFAOYSA-N 2 0 272.352 1.923 10 0 CDAERP Cc1cnn(C)c1CNC1CC([NH+]2CCCCC2)C1 ZINC000377158424 371452700 /nfs/dbraw/zinc/45/27/00/371452700.db2.gz QXJKJDOZBKXGSK-UHFFFAOYSA-N 2 0 262.401 1.835 10 0 CDAERP O=C(CCn1ccnc1)NC1CCN(c2ccccn2)CC1 ZINC000377491294 371552079 /nfs/dbraw/zinc/55/20/79/371552079.db2.gz SKOJUJSIAATJQB-UHFFFAOYSA-N 2 0 299.378 1.453 10 0 CDAERP CC(C)OC[C@@H](O)C[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000580552889 372017372 /nfs/dbraw/zinc/01/73/72/372017372.db2.gz FOZKJMCRXWFDHD-GJZGRUSLSA-N 2 0 272.433 1.484 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000178813940 372211668 /nfs/dbraw/zinc/21/16/68/372211668.db2.gz RIQOCMYYMUDUIY-MGPQQGTHSA-N 2 0 267.417 1.175 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)COC2CCC([NH3+])CC2)C1 ZINC000578319359 372390502 /nfs/dbraw/zinc/39/05/02/372390502.db2.gz IHTQDRUQHLJSPD-NFOMZHRRSA-N 2 0 297.443 1.119 10 0 CDAERP CCC[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccccn1 ZINC000423187508 245647079 /nfs/dbraw/zinc/64/70/79/245647079.db2.gz XYQKWUUMTABCFG-OAHLLOKOSA-N 2 0 276.428 1.808 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000186517721 373158626 /nfs/dbraw/zinc/15/86/26/373158626.db2.gz WCSKBXYIGYQHCD-CQSZACIVSA-N 2 0 273.380 1.502 10 0 CDAERP C[C@H]1CN(Cc2nc(-c3ccccc3)no2)C[C@@H]1C[NH3+] ZINC000631842957 373885839 /nfs/dbraw/zinc/88/58/39/373885839.db2.gz HTHZKRKDLUWKCV-AAEUAGOBSA-N 2 0 272.352 1.763 10 0 CDAERP C[C@H](CNC(=O)c1ccccc1CC[NH3+])[N@H+](C)C1CC1 ZINC000219966067 373861243 /nfs/dbraw/zinc/86/12/43/373861243.db2.gz NOQYLIOXHISCKR-GFCCVEGCSA-N 2 0 275.396 1.400 10 0 CDAERP C[C@H]([NH2+]CC1(CO)CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000643466257 373935385 /nfs/dbraw/zinc/93/53/85/373935385.db2.gz KNVPLBSEVUISFS-UONOGXRCSA-N 2 0 254.418 1.907 10 0 CDAERP CCC1([NH+](C)C)CCN(C[C@H]2CCC[N@@H+]2C)CC1 ZINC000640015764 373992197 /nfs/dbraw/zinc/99/21/97/373992197.db2.gz MPQWJYSFDWIXCK-CQSZACIVSA-N 2 0 253.434 1.887 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CCC[C@@H](C[NH2+]CCC2CC2)C1 ZINC001661842096 1172454900 /nfs/dbraw/zinc/45/49/00/1172454900.db2.gz KIXABGZZCFMQOA-INIZCTEOSA-N 2 0 293.455 1.711 10 0 CDAERP [NH3+]CC1(CCNC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000652231931 541924478 /nfs/dbraw/zinc/92/44/78/541924478.db2.gz KWLNWLFUVKMNLL-CQSZACIVSA-N 2 0 294.443 1.147 10 0 CDAERP CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1cncn1C(C)C ZINC000424162217 246363395 /nfs/dbraw/zinc/36/33/95/246363395.db2.gz WQBWOANXLYUOHG-NEPJUHHUSA-N 2 0 266.389 1.857 10 0 CDAERP C[C@@H](C[NH3+])C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000334305744 374864668 /nfs/dbraw/zinc/86/46/68/374864668.db2.gz GNNSKXPCNHOWQI-QMMMGPOBSA-N 2 0 251.305 1.005 10 0 CDAERP CCn1cc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](CC)C2)cn1 ZINC000044498827 374999653 /nfs/dbraw/zinc/99/96/53/374999653.db2.gz YBUYPLRYINIPBV-CHWSQXEVSA-N 2 0 250.390 1.895 10 0 CDAERP C[C@H]1CC[C@@H]([NH2+]CCN2CCC([NH+](C)C)CC2)CS1 ZINC000655718748 412833801 /nfs/dbraw/zinc/83/38/01/412833801.db2.gz LYYJNLNKFNRVRK-UONOGXRCSA-N 2 0 285.501 1.886 10 0 CDAERP CC(C)[C@@H](CNC(=O)N[C@H](C)[C@H](C)[NH3+])[NH+]1CCC(C)CC1 ZINC000417011716 375715478 /nfs/dbraw/zinc/71/54/78/375715478.db2.gz STTOKUHRQLAXJN-RRFJBIMHSA-N 2 0 298.475 1.778 10 0 CDAERP Cc1cnc([C@@H](C)[N@H+](C)CCCN(C)CC[NH+](C)C)cn1 ZINC000428995879 247398220 /nfs/dbraw/zinc/39/82/20/247398220.db2.gz QYDRUNUKWBGWTH-OAHLLOKOSA-N 2 0 293.459 1.661 10 0 CDAERP C[N@H+]1C[C@@H]2C[NH+](CCC(=O)N3CCc4ccccc43)C[C@@H]2C1 ZINC000193610169 375878876 /nfs/dbraw/zinc/87/88/76/375878876.db2.gz QQAKITPSZXHOMS-IYBDPMFKSA-N 2 0 299.418 1.459 10 0 CDAERP Cc1ccccc1NC(=O)[C@@H](C)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193658549 375889237 /nfs/dbraw/zinc/88/92/37/375889237.db2.gz LREHIPUONNYEPF-KFWWJZLASA-N 2 0 287.407 1.815 10 0 CDAERP CCCNC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194738382 375956969 /nfs/dbraw/zinc/95/69/69/375956969.db2.gz MSNOMRKEXWMFGN-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP CCCCNc1cc(C)[nH+]c(N(C)CC2C[NH+](C)C2)n1 ZINC000631357631 376146225 /nfs/dbraw/zinc/14/62/25/376146225.db2.gz FJYNNILSKJMHJO-UHFFFAOYSA-N 2 0 277.416 1.417 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000638974540 376313869 /nfs/dbraw/zinc/31/38/69/376313869.db2.gz ACQWKBKZXHNTDI-UONOGXRCSA-N 2 0 281.444 1.837 10 0 CDAERP COC(=O)CCC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420384390 376343495 /nfs/dbraw/zinc/34/34/95/376343495.db2.gz DQRPLSYLVGEAOU-CHWSQXEVSA-N 2 0 254.374 1.404 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000417394458 376555861 /nfs/dbraw/zinc/55/58/61/376555861.db2.gz SIYQAACVNDRVJW-CQSZACIVSA-N 2 0 282.432 1.241 10 0 CDAERP [NH3+]CCC[N@H+](CC1CCCC1)C[C@@H]1CCc2ncnn21 ZINC000631826858 376658263 /nfs/dbraw/zinc/65/82/63/376658263.db2.gz YSGUAUMFECVZOP-AWEZNQCLSA-N 2 0 277.416 1.606 10 0 CDAERP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631841044 376694701 /nfs/dbraw/zinc/69/47/01/376694701.db2.gz HOOUPYWTKZSQPX-SDDRHHMPSA-N 2 0 255.406 1.206 10 0 CDAERP FC(F)[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000631866440 376748065 /nfs/dbraw/zinc/74/80/65/376748065.db2.gz YGCPWGPZSUBREH-RYUDHWBXSA-N 2 0 262.344 1.732 10 0 CDAERP Cc1nccn1CCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631890450 376784204 /nfs/dbraw/zinc/78/42/04/376784204.db2.gz PJKJGTBHLKBPRR-LSDHHAIUSA-N 2 0 262.401 1.656 10 0 CDAERP CC(C)[C@H]1C[N@H+](CCC2CC[NH2+]CC2)CCN1C ZINC000631879703 376769814 /nfs/dbraw/zinc/76/98/14/376769814.db2.gz DQAIXVOYKDZCOK-OAHLLOKOSA-N 2 0 253.434 1.648 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)CC1 ZINC000417396621 376821907 /nfs/dbraw/zinc/82/19/07/376821907.db2.gz WAPADLYSKCYKBW-DZGCQCFKSA-N 2 0 296.459 1.487 10 0 CDAERP CC[NH+](CC)CCC[C@H](C)NC(=O)CC[C@@H](C)[NH3+] ZINC000070314769 284607333 /nfs/dbraw/zinc/60/73/33/284607333.db2.gz SYPBQYGXKJKQKB-OLZOCXBDSA-N 2 0 257.422 1.741 10 0 CDAERP Cc1ccccc1[C@H]([NH3+])C(=O)N1CCC([NH+](C)C)CC1 ZINC000334652231 377216083 /nfs/dbraw/zinc/21/60/83/377216083.db2.gz CUVAMYHGHOSTMT-HNNXBMFYSA-N 2 0 275.396 1.547 10 0 CDAERP COc1cc(CN2CC[C@H]3CC[N@H+](C)C[C@@H]32)ccc1O ZINC000249543915 377448020 /nfs/dbraw/zinc/44/80/20/377448020.db2.gz JWAQNHOMCZHQOT-KGLIPLIRSA-N 2 0 276.380 1.927 10 0 CDAERP COC(=O)[C@H](C)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000251103640 377559055 /nfs/dbraw/zinc/55/90/55/377559055.db2.gz NOQOHTHQWJKHIE-UPJWGTAASA-N 2 0 254.374 1.212 10 0 CDAERP C[C@H]([NH3+])C1CCN(C(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000334937830 377710248 /nfs/dbraw/zinc/71/02/48/377710248.db2.gz XTCULSSWEZXFCR-ZDUSSCGKSA-N 2 0 296.459 1.807 10 0 CDAERP CCC[C@H](C(=O)NC[C@H](C)C[NH+]1CCCCC1)[NH+](C)C ZINC000161685802 377750859 /nfs/dbraw/zinc/75/08/59/377750859.db2.gz GZKMZXUXZFFYEP-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H](C[NH3+])N(C)C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000417536801 377900492 /nfs/dbraw/zinc/90/04/92/377900492.db2.gz REHYYBKTKDWSMC-JHJVBQTASA-N 2 0 270.421 1.238 10 0 CDAERP COc1cccc(C[NH2+]CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000069349948 378021962 /nfs/dbraw/zinc/02/19/62/378021962.db2.gz PHZLMHOIMMOZLC-CQSZACIVSA-N 2 0 292.423 1.878 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C1CC[NH2+]CC1 ZINC000094440121 378144971 /nfs/dbraw/zinc/14/49/71/378144971.db2.gz WIZKGRFRFHGVNU-TZMCWYRMSA-N 2 0 265.401 1.071 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000193302744 378288826 /nfs/dbraw/zinc/28/88/26/378288826.db2.gz FKFVQRXYWCEPJP-ZDUSSCGKSA-N 2 0 269.433 1.694 10 0 CDAERP C[NH+](C)CCC[C@H]1C[N@H+](CC[C@@H]2CCOC2)CCO1 ZINC000662325690 412896864 /nfs/dbraw/zinc/89/68/64/412896864.db2.gz IEOVWHLJDFXHCU-CABCVRRESA-N 2 0 270.417 1.456 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000657572767 412904748 /nfs/dbraw/zinc/90/47/48/412904748.db2.gz FPGWUIBXJWQGTP-GVDBMIGSSA-N 3 0 296.503 1.475 10 0 CDAERP CC(C)C[C@@H]([NH3+])C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000634301065 379360383 /nfs/dbraw/zinc/36/03/83/379360383.db2.gz VTZGZSGCFRAISV-CHWSQXEVSA-N 2 0 255.406 1.158 10 0 CDAERP COc1ccc([C@@H](O)CN2CCC[NH2+]CC2)cc1 ZINC000041306815 379364314 /nfs/dbraw/zinc/36/43/14/379364314.db2.gz VIOSPLQJTCNTQN-AWEZNQCLSA-N 2 0 250.342 1.024 10 0 CDAERP [NH3+]Cc1ccc(-c2noc([C@@H](F)[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000634558405 379671403 /nfs/dbraw/zinc/67/14/03/379671403.db2.gz XOHWBLPNLNWRPK-NEPJUHHUSA-N 2 0 276.315 1.815 10 0 CDAERP CC[C@@H](C)[NH2+]CC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000040827265 184549643 /nfs/dbraw/zinc/54/96/43/184549643.db2.gz VPMBMEFABYDEBP-VXGBXAGGSA-N 2 0 283.441 1.855 10 0 CDAERP CCC(C)(C)[NH+]1CCN(C(=O)N[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000655968009 412968074 /nfs/dbraw/zinc/96/80/74/412968074.db2.gz KQDVSRQMJRYHIA-RYUDHWBXSA-N 2 0 270.421 1.238 10 0 CDAERP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655969905 412983949 /nfs/dbraw/zinc/98/39/49/412983949.db2.gz CIZFLLZHVNNCJW-MJBXVCDLSA-N 2 0 284.448 1.341 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000662427570 413007869 /nfs/dbraw/zinc/00/78/69/413007869.db2.gz QZQPLPUHRHYJAQ-NWDGAFQWSA-N 2 0 280.372 1.216 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000647055969 390381595 /nfs/dbraw/zinc/38/15/95/390381595.db2.gz MPIKRYOWJZDHRF-KBPBESRZSA-N 2 0 279.428 1.509 10 0 CDAERP CC(C)c1ncc2c(n1)CC[N@@H+](CCc1cncn1C)C2 ZINC000527623082 391074163 /nfs/dbraw/zinc/07/41/63/391074163.db2.gz KTQPAHNRPFXMHC-UHFFFAOYSA-N 2 0 285.395 1.934 10 0 CDAERP C[NH+](C)CC1(C(=O)NCC2([NH+](C)C)CC2)CCCCC1 ZINC000416305969 391266898 /nfs/dbraw/zinc/26/68/98/391266898.db2.gz DIURQIZAQWJVDX-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CC1=CC[N@H+](CCNC(=O)N[C@H](C)CCC[NH3+])CC1 ZINC000418006774 391282262 /nfs/dbraw/zinc/28/22/62/391282262.db2.gz CFCRIWHKPRCCNM-CYBMUJFWSA-N 2 0 268.405 1.065 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)CC[N@@H+]1C ZINC000648104470 391338099 /nfs/dbraw/zinc/33/80/99/391338099.db2.gz AKPBHNHEEMULKG-TUVASFSCSA-N 2 0 279.428 1.317 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCn3ccnc3C2)[C@@H]2CCC[C@@H]21 ZINC000353669907 391398872 /nfs/dbraw/zinc/39/88/72/391398872.db2.gz KGJBARRJCRBYBF-QPSCCSFWSA-N 2 0 274.412 1.660 10 0 CDAERP CC1=C[C@H](C)C[C@@H](C[NH2+]C[C@@](C)(O)C[NH+](C)C)C1 ZINC000227935294 391401786 /nfs/dbraw/zinc/40/17/86/391401786.db2.gz ICXBAWZQNZTTQY-NWANDNLSSA-N 2 0 254.418 1.881 10 0 CDAERP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)C1CC[NH2+]CC1 ZINC000335429211 391431914 /nfs/dbraw/zinc/43/19/14/391431914.db2.gz NNHWDPREFBNQDR-OAHLLOKOSA-N 2 0 273.380 1.071 10 0 CDAERP [NH3+]C[C@H](C(=O)N[C@@H](C[NH3+])C1CCCC1)c1ccc(F)cc1 ZINC000417823571 391488894 /nfs/dbraw/zinc/48/88/94/391488894.db2.gz AGIVNWPNVHZUJV-GJZGRUSLSA-N 2 0 293.386 1.502 10 0 CDAERP CCc1nccn1[C@H](C)CC(=O)N1CC[NH2+]C[C@H]1C ZINC000647711552 391463261 /nfs/dbraw/zinc/46/32/61/391463261.db2.gz FIZIOLVDGICQLN-VXGBXAGGSA-N 2 0 264.373 1.217 10 0 CDAERP CS[C@H]1CC[C@@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000425350995 391475340 /nfs/dbraw/zinc/47/53/40/391475340.db2.gz LVOHNWHAPWZPLW-STQMWFEESA-N 2 0 257.447 1.108 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@H](CCC[NH3+])c2ccccc2)CC[NH2+]1 ZINC000417835453 391502224 /nfs/dbraw/zinc/50/22/24/391502224.db2.gz NZOTURBSYQJHOO-CWRNSKLLSA-N 2 0 289.423 1.971 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000417444724 391535331 /nfs/dbraw/zinc/53/53/31/391535331.db2.gz DLPPTVBRBDJQCQ-GOEBONIOSA-N 2 0 296.459 1.502 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000417828422 391497852 /nfs/dbraw/zinc/49/78/52/391497852.db2.gz HDAQMJNUKIMRHK-QWHCGFSZSA-N 2 0 267.417 1.413 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000418111662 391624081 /nfs/dbraw/zinc/62/40/81/391624081.db2.gz AFMMWADYORCPAB-OKZRHMCRSA-N 2 0 268.405 1.038 10 0 CDAERP OCCC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000647793212 391631048 /nfs/dbraw/zinc/63/10/48/391631048.db2.gz PONRYWHSBHSRBM-BFHYXJOUSA-N 2 0 252.402 1.517 10 0 CDAERP CO[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647796455 391646233 /nfs/dbraw/zinc/64/62/33/391646233.db2.gz ACBFIIXZBZFIJI-QRTUWBSPSA-N 2 0 252.402 1.922 10 0 CDAERP COC[C@H](C)C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000527361543 391647433 /nfs/dbraw/zinc/64/74/33/391647433.db2.gz GYSVOATXQQEEIA-CYBMUJFWSA-N 2 0 258.406 1.094 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000417541857 391650066 /nfs/dbraw/zinc/65/00/66/391650066.db2.gz ZBNOPYVXLYJYRC-MGPQQGTHSA-N 2 0 282.432 1.382 10 0 CDAERP Cn1nc2c(c1C[NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@H]3C1)CCCC2 ZINC000647797877 391659440 /nfs/dbraw/zinc/65/94/40/391659440.db2.gz GDQXRNPHMWKSKC-MGPQQGTHSA-N 2 0 288.439 1.777 10 0 CDAERP Cn1cnc(CCC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)n1 ZINC000647801151 391663763 /nfs/dbraw/zinc/66/37/63/391663763.db2.gz PPQXPQLGRQKNQD-UONOGXRCSA-N 2 0 271.368 1.482 10 0 CDAERP CCCC[N@H+](C)CC1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC000178191849 391772345 /nfs/dbraw/zinc/77/23/45/391772345.db2.gz JQRYARCUOTUQQU-CQSZACIVSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649318662 392009314 /nfs/dbraw/zinc/00/93/14/392009314.db2.gz ARJFYHUUESXZMI-KSTCHIGDSA-N 2 0 265.401 1.116 10 0 CDAERP CCC[C@](C)([NH3+])C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000262506646 392043367 /nfs/dbraw/zinc/04/33/67/392043367.db2.gz AFIYSPSYBLDQEI-ZBFHGGJFSA-N 2 0 281.444 1.694 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2C[NH2+]CCC2(F)F)CC[N@@H+]1C ZINC000649341059 392068492 /nfs/dbraw/zinc/06/84/92/392068492.db2.gz KABZQCOVVRROFT-WOPDTQHZSA-N 2 0 289.370 1.172 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000251600319 392236816 /nfs/dbraw/zinc/23/68/16/392236816.db2.gz DBSOYUILSIBZDY-MCIONIFRSA-N 2 0 265.401 1.071 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000422792687 392260901 /nfs/dbraw/zinc/26/09/01/392260901.db2.gz RKSRMAQPTFFXPC-HOTGVXAUSA-N 3 0 296.503 1.652 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000422901406 392272694 /nfs/dbraw/zinc/27/26/94/392272694.db2.gz BYPPAOYELFCZKD-YDHLFZDLSA-N 2 0 277.412 1.401 10 0 CDAERP C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1)C1C[NH2+]C1 ZINC000423025703 392282740 /nfs/dbraw/zinc/28/27/40/392282740.db2.gz PDJZTTYHXGXTAB-JQAFLVLXSA-N 2 0 295.377 1.908 10 0 CDAERP CC1=CCN(CC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000423030679 392287026 /nfs/dbraw/zinc/28/70/26/392287026.db2.gz CGNPNLXLRHEAKL-CABCVRRESA-N 2 0 251.418 1.746 10 0 CDAERP CC(C)(CN[C@H](C1CC1)[C@H]1C[NH2+]CCO1)C[NH+]1CCCC1 ZINC000423084089 392329789 /nfs/dbraw/zinc/32/97/89/392329789.db2.gz ZSUBHMBPJHYLPO-HZPDHXFCSA-N 2 0 295.471 1.465 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NCC[NH+](C(C)C)C(C)C ZINC000659426331 413052481 /nfs/dbraw/zinc/05/24/81/413052481.db2.gz ZUFNHSKFCHMRAD-CQSZACIVSA-N 2 0 286.464 1.778 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)N[C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423140034 392380031 /nfs/dbraw/zinc/38/00/31/392380031.db2.gz MAWNXQGSPSWOMU-IMJJTQAJSA-N 2 0 283.460 1.463 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000458165514 392396313 /nfs/dbraw/zinc/39/63/13/392396313.db2.gz KZBCQAUKGNZIHT-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H](NCCC[NH2+]Cc1cccnc1)[C@@H]1CCC[NH2+]1 ZINC000423189512 392427954 /nfs/dbraw/zinc/42/79/54/392427954.db2.gz POURQEXACROLAC-ZFWWWQNUSA-N 2 0 262.401 1.291 10 0 CDAERP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]CCC[NH3+])C1 ZINC000423189546 392428779 /nfs/dbraw/zinc/42/87/79/392428779.db2.gz MVRCOAFIPHETLG-CHWSQXEVSA-N 2 0 256.390 1.827 10 0 CDAERP C([NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)[C@@H]1C[C@H]1C1CC1 ZINC000423167037 392406881 /nfs/dbraw/zinc/40/68/81/392406881.db2.gz RUMSPGSGMSQBEE-ARKGTOAJSA-N 2 0 264.413 1.779 10 0 CDAERP CCC([NH3+])(CC)CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000423291708 392490424 /nfs/dbraw/zinc/49/04/24/392490424.db2.gz JOTRHBJVFLYYAV-BFHYXJOUSA-N 2 0 253.434 1.966 10 0 CDAERP CCC([NH3+])(CC)CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000423291709 392490755 /nfs/dbraw/zinc/49/07/55/392490755.db2.gz JOTRHBJVFLYYAV-MCIONIFRSA-N 2 0 253.434 1.966 10 0 CDAERP CC(C)C1CC([NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000423384176 392568935 /nfs/dbraw/zinc/56/89/35/392568935.db2.gz JXXCATJFDJBOGE-WXRRBKDZSA-N 2 0 293.377 1.847 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)CC[C@H]2CC[NH2+]C2)cc1 ZINC000646806063 392838062 /nfs/dbraw/zinc/83/80/62/392838062.db2.gz YQQFUNRCFDOIIC-OCCSQVGLSA-N 2 0 275.396 1.712 10 0 CDAERP COCC[N@H+](C)C[C@@H](O)CN(C)Cc1ccc(F)cc1C ZINC000521639350 393036259 /nfs/dbraw/zinc/03/62/59/393036259.db2.gz HFCBZIUWBYVHQA-MRXNPFEDSA-N 2 0 298.402 1.505 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)[C@H]1C ZINC000494883838 393120977 /nfs/dbraw/zinc/12/09/77/393120977.db2.gz UDUGYOSQEUJPGT-VNHYZAJKSA-N 2 0 253.434 1.647 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)[C@H]1C ZINC000494920983 393131637 /nfs/dbraw/zinc/13/16/37/393131637.db2.gz GIASNPDIYAOPSB-IJEWVQPXSA-N 2 0 288.439 1.968 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)CC1([NH3+])CCC1 ZINC000645951202 393426904 /nfs/dbraw/zinc/42/69/04/393426904.db2.gz JTKPYEQNOMCXHP-STQMWFEESA-N 2 0 267.417 1.637 10 0 CDAERP [NH3+]CC1(CC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CCCCC1 ZINC000185350091 140038541 /nfs/dbraw/zinc/03/85/41/140038541.db2.gz MJIQCWKFEBXWNK-HNNXBMFYSA-N 2 0 293.455 1.982 10 0 CDAERP Cc1ccc([C@@H]([NH3+])C(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000230800462 140213468 /nfs/dbraw/zinc/21/34/68/140213468.db2.gz LMRCMXAQGSQGGN-UONOGXRCSA-N 2 0 261.369 1.157 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000233450751 140226449 /nfs/dbraw/zinc/22/64/49/140226449.db2.gz QZBPYOXMBMAWKK-STQMWFEESA-N 2 0 255.406 1.223 10 0 CDAERP CN(C(=O)CCCCCC[NH3+])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237200707 140251659 /nfs/dbraw/zinc/25/16/59/140251659.db2.gz SLMHEFNWKCLSDF-PBWFPOADSA-N 2 0 267.417 1.637 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)N(C)C[C@H]1CCC[NH+]1CC ZINC000245415378 140266930 /nfs/dbraw/zinc/26/69/30/140266930.db2.gz GDELPSIVARYXNR-HUUCEWRRSA-N 2 0 298.475 1.842 10 0 CDAERP CC1(C)[C@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)[C@H]2CCCO[C@H]21 ZINC000245895463 140279074 /nfs/dbraw/zinc/27/90/74/140279074.db2.gz NABZQGWMPRKQPX-ZJIFWQFVSA-N 2 0 296.455 1.626 10 0 CDAERP CCC[C@](C)([NH3+])C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000251275408 140307794 /nfs/dbraw/zinc/30/77/94/140307794.db2.gz FROAJCYUVJUFQD-DYEKYZERSA-N 2 0 253.390 1.199 10 0 CDAERP C[C@H]([NH3+])CCC(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000252218265 140318817 /nfs/dbraw/zinc/31/88/17/140318817.db2.gz YICUNUFRMJUXJO-QWHCGFSZSA-N 2 0 255.406 1.495 10 0 CDAERP c1cc(C[NH+]2CCCC2)ccc1CNC1=[NH+]CCCN1 ZINC000261693701 140376258 /nfs/dbraw/zinc/37/62/58/140376258.db2.gz BQYUKSDKGORKAZ-UHFFFAOYSA-N 2 0 272.396 1.721 10 0 CDAERP O=C(N1CC[C@H]2C[NH2+]C[C@H]2CC1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000261889856 140405284 /nfs/dbraw/zinc/40/52/84/140405284.db2.gz VCUGOVNECXNWCW-QSJFSLAZSA-N 2 0 291.439 1.224 10 0 CDAERP C[NH+](C)CC(C)(C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000457239792 289077499 /nfs/dbraw/zinc/07/74/99/289077499.db2.gz NBVONEUBSLSVLW-UHFFFAOYSA-N 2 0 283.460 1.955 10 0 CDAERP C[NH+](C)CCCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353500112 289112112 /nfs/dbraw/zinc/11/21/12/289112112.db2.gz WLJAWYPEFTVAGG-KFWWJZLASA-N 3 0 253.434 1.791 10 0 CDAERP COC[C@@H](C[NH+]1CCN(c2cnccc2C)CC1)OC ZINC000660465854 413145348 /nfs/dbraw/zinc/14/53/48/413145348.db2.gz OXXSDSSHJUKCOQ-CQSZACIVSA-N 2 0 279.384 1.173 10 0 CDAERP Cn1cnc(CCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000647801607 397607807 /nfs/dbraw/zinc/60/78/07/397607807.db2.gz ZCDCJSDDHTXEIG-QLFBSQMISA-N 2 0 291.443 1.648 10 0 CDAERP C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000387567500 397716474 /nfs/dbraw/zinc/71/64/74/397716474.db2.gz LWQLZIYIRDSAGB-RYUDHWBXSA-N 2 0 255.406 1.221 10 0 CDAERP COC1(C[C@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)CCC1 ZINC000429518324 292125694 /nfs/dbraw/zinc/12/56/94/292125694.db2.gz LTAUDUMCJJPSSO-CVEARBPZSA-N 2 0 297.487 1.807 10 0 CDAERP CC(C)[C@@H](C(=O)N1CCC([NH+](C)C)CC1)[C@@H](C)[NH3+] ZINC000399369092 398030500 /nfs/dbraw/zinc/03/05/00/398030500.db2.gz JXIQAPPAECBDCP-DGCLKSJQSA-N 2 0 255.406 1.158 10 0 CDAERP CN1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CCC1=O ZINC000093461632 147052322 /nfs/dbraw/zinc/05/23/22/147052322.db2.gz XGJOAMMEUBBIRT-YIYPIFLZSA-N 2 0 265.401 1.118 10 0 CDAERP C[NH2+]CCC1CC[NH+](Cc2ccc(C(=O)OC)cn2)CC1 ZINC000094763064 147095242 /nfs/dbraw/zinc/09/52/42/147095242.db2.gz YBGOGRUZNDITLB-UHFFFAOYSA-N 2 0 291.395 1.690 10 0 CDAERP CN(C)c1cc[nH+]cc1C(=O)NCc1cccnc1N(C)C ZINC000183513419 148304931 /nfs/dbraw/zinc/30/49/31/148304931.db2.gz ZRQWBNFUTNIDJV-UHFFFAOYSA-N 2 0 299.378 1.539 10 0 CDAERP CN(CC[NH2+]CCF)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001664138820 1172815323 /nfs/dbraw/zinc/81/53/23/1172815323.db2.gz SRFHLEAPMHFIND-HNNXBMFYSA-N 2 0 299.434 1.801 10 0 CDAERP CCC[C@](C)([NH3+])C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000262172500 149028087 /nfs/dbraw/zinc/02/80/87/149028087.db2.gz XMFQTOVNYNAZNK-JSGCOSHPSA-N 2 0 255.406 1.495 10 0 CDAERP O=C(NCc1ccccc1C[NH+]1CCCC1)C1C[NH2+]C1 ZINC000262191233 149032587 /nfs/dbraw/zinc/03/25/87/149032587.db2.gz GBBVGAPFWZZHSO-UHFFFAOYSA-N 2 0 273.380 1.118 10 0 CDAERP C[NH2+]C[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000262647999 149089938 /nfs/dbraw/zinc/08/99/38/149089938.db2.gz PJJCGWCCKMSROQ-CQSZACIVSA-N 2 0 289.423 1.754 10 0 CDAERP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000262674259 149094416 /nfs/dbraw/zinc/09/44/16/149094416.db2.gz QSRDJIMCXKZTLK-SOUVJXGZSA-N 2 0 297.443 1.073 10 0 CDAERP [NH3+]CC1(C(=O)N2CCC(c3ncc[nH]3)CC2)CCCC1 ZINC000334877151 150020855 /nfs/dbraw/zinc/02/08/55/150020855.db2.gz NSECATULKPMBKM-UHFFFAOYSA-N 2 0 276.384 1.635 10 0 CDAERP C[NH+](C)[C@@H]1CCCN(C(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000334926361 150092038 /nfs/dbraw/zinc/09/20/38/150092038.db2.gz AGISDOATGMJXQP-CQSZACIVSA-N 2 0 296.459 1.774 10 0 CDAERP CC(C)[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001664309410 1172838486 /nfs/dbraw/zinc/83/84/86/1172838486.db2.gz OZVKKTDJMUZNMH-ZIAGYGMSSA-N 2 0 269.433 1.563 10 0 CDAERP CC[C@H](C)C[NH2+]CCN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001664375184 1172845358 /nfs/dbraw/zinc/84/53/58/1172845358.db2.gz ZRSBBOHAIUIDIW-LSDHHAIUSA-N 2 0 299.459 1.049 10 0 CDAERP Cc1cnn(C)c1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000335824066 151051430 /nfs/dbraw/zinc/05/14/30/151051430.db2.gz UOTGEDNTYMNDHE-AGUYFDCRSA-N 2 0 262.401 1.833 10 0 CDAERP Cc1c(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cnn1C ZINC000335918783 151112973 /nfs/dbraw/zinc/11/29/73/151112973.db2.gz DRMRQNRSRKYMIS-RISCZKNCSA-N 2 0 250.390 1.643 10 0 CDAERP NC(=O)c1csc(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000336106652 151273813 /nfs/dbraw/zinc/27/38/13/151273813.db2.gz YXRZPKVPFUKKTL-CABZTGNLSA-N 2 0 265.382 1.815 10 0 CDAERP [NH3+]C1(C(=O)NCC2([NH3+])CCCCCC2)CCCC1 ZINC000336521546 151600186 /nfs/dbraw/zinc/60/01/86/151600186.db2.gz JRXVJQRRBGPEQY-UHFFFAOYSA-N 2 0 253.390 1.426 10 0 CDAERP C[C@H](CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[N@H+](C)C1CC1 ZINC000654429203 413274476 /nfs/dbraw/zinc/27/44/76/413274476.db2.gz JOLUNZGQQIAHDX-BZPMIXESSA-N 2 0 282.432 1.109 10 0 CDAERP C[NH+]1CCC(CC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000347040922 153389791 /nfs/dbraw/zinc/38/97/91/153389791.db2.gz JNJAVQWTQBOVRV-CYBMUJFWSA-N 2 0 265.401 1.071 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCCC[NH+]1CCOCC1 ZINC000349122533 154056069 /nfs/dbraw/zinc/05/60/69/154056069.db2.gz YUVHXKLFTWASFB-OAHLLOKOSA-N 2 0 297.443 1.089 10 0 CDAERP COC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)C1CCOCC1 ZINC000658239038 413304200 /nfs/dbraw/zinc/30/42/00/413304200.db2.gz SWJZBNLZSOQWSU-GJZGRUSLSA-N 2 0 270.417 1.502 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)CC1([NH3+])CC1 ZINC000662682499 413306555 /nfs/dbraw/zinc/30/65/55/413306555.db2.gz ILBCAGCIMITYSD-CYBMUJFWSA-N 2 0 267.417 1.639 10 0 CDAERP O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)C1CC[NH2+]CC1 ZINC000662686340 413309860 /nfs/dbraw/zinc/30/98/60/413309860.db2.gz DFAKGGHRZYXDLM-HNNXBMFYSA-N 2 0 289.379 1.286 10 0 CDAERP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)CC1([NH3+])CC1 ZINC000662699997 413340364 /nfs/dbraw/zinc/34/03/64/413340364.db2.gz GMXIKGXDUVPFGO-CYBMUJFWSA-N 2 0 267.417 1.639 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]CC2(O)CCC(F)(F)CC2)CC[N@@H+]1C ZINC000658323798 413370353 /nfs/dbraw/zinc/37/03/53/413370353.db2.gz WHBMXQYKMUWXDY-RYUDHWBXSA-N 2 0 276.371 1.999 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662727683 413393298 /nfs/dbraw/zinc/39/32/98/413393298.db2.gz AENCEEMPIVYAMQ-CHWSQXEVSA-N 2 0 255.406 1.350 10 0 CDAERP C[NH+](C)C1(CNC(=O)CC2([NH3+])CC2)Cc2ccccc2C1 ZINC000662741120 413412557 /nfs/dbraw/zinc/41/25/57/413412557.db2.gz KRIALCHYGCBFFO-UHFFFAOYSA-N 2 0 287.407 1.083 10 0 CDAERP CC[C@H]([NH2+]C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000662741753 413415394 /nfs/dbraw/zinc/41/53/94/413415394.db2.gz HTOVCCJETAXBRE-WVMKXHBISA-N 2 0 253.390 1.116 10 0 CDAERP C[NH+](C)C[C@@H]1CCCCN1C(=O)C1CCC([NH3+])CC1 ZINC000405012185 413453182 /nfs/dbraw/zinc/45/31/82/413453182.db2.gz DLJXWNZMWQFJIG-RUXDESIVSA-N 2 0 267.417 1.447 10 0 CDAERP CC[C@@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)C[C@H]1N1CCOCC1 ZINC000261977828 287199956 /nfs/dbraw/zinc/19/99/56/287199956.db2.gz IWSGOIGEICIHGV-BZUAXINKSA-N 2 0 281.444 1.029 10 0 CDAERP CCCCC[N@@H+]1CC[C@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001665675994 1173036929 /nfs/dbraw/zinc/03/69/29/1173036929.db2.gz HEPLSILSIFHCAI-HNNXBMFYSA-N 2 0 293.455 1.805 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+] ZINC000653214891 412143304 /nfs/dbraw/zinc/14/33/04/412143304.db2.gz GFUSNDZNNZGXMC-IUODEOHRSA-N 2 0 277.412 1.642 10 0 CDAERP C[C@H]([NH3+])CC[NH2+]CCCCCCC[NH2+]CC[C@H](C)[NH3+] ZINC000027651557 171526834 /nfs/dbraw/zinc/52/68/34/171526834.db2.gz GLVGSSCLMMUJJV-GJZGRUSLSA-N 4 0 272.481 1.591 10 0 CDAERP CC[NH+](CC)CC(=O)NCc1ccc(C[NH3+])cc1F ZINC000653223733 412149591 /nfs/dbraw/zinc/14/95/91/412149591.db2.gz ZHQIVAXNMPXSFA-UHFFFAOYSA-N 2 0 267.348 1.242 10 0 CDAERP C[C@H]1CCCN(C(=O)c2ccc(C[NH3+])cc2)[C@H]1CC[NH3+] ZINC000653232860 412153728 /nfs/dbraw/zinc/15/37/28/412153728.db2.gz KZBAFZLODOZJQP-WFASDCNBSA-N 2 0 275.396 1.735 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)c2cc(C(C)(C)[NH3+])no2)CC1 ZINC000662786269 413494951 /nfs/dbraw/zinc/49/49/51/413494951.db2.gz QPBRXCCVXRKHGL-UHFFFAOYSA-N 2 0 294.399 1.471 10 0 CDAERP [NH3+]Cc1ccccc1OCCC[NH+]1CCSCC1 ZINC000035725283 172379913 /nfs/dbraw/zinc/37/99/13/172379913.db2.gz HUXYZLQJZJBUBB-UHFFFAOYSA-N 2 0 266.410 1.963 10 0 CDAERP CN(CC(C)(C)[NH3+])C(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000662844086 413594663 /nfs/dbraw/zinc/59/46/63/413594663.db2.gz YIJZBSLWIJBLRO-UTUOFQBUSA-N 2 0 253.390 1.103 10 0 CDAERP C[C@H](CCNC(=O)NC1CC([NH+]2CCCCC2)C1)[NH+](C)C ZINC000664791483 413652897 /nfs/dbraw/zinc/65/28/97/413652897.db2.gz HXNUSSWPOIBHIW-WLYUNCDWSA-N 2 0 296.459 1.643 10 0 CDAERP [NH3+]C1(C[NH2+]CCN2C(=O)c3ccccc3C2=O)CCCC1 ZINC000656788948 413670337 /nfs/dbraw/zinc/67/03/37/413670337.db2.gz GWEKUKJSCFZNNB-UHFFFAOYSA-N 2 0 287.363 1.144 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000664719778 413616575 /nfs/dbraw/zinc/61/65/75/413616575.db2.gz ZJVGAXCXHNVTAR-LSDHHAIUSA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662925980 413712096 /nfs/dbraw/zinc/71/20/96/413712096.db2.gz MNYBAWZDYVXJBS-MWLCHTKSSA-N 2 0 281.322 1.018 10 0 CDAERP CCN(C(=O)NCc1cnccc1OC)[C@@H]1CC[N@H+](C)C1 ZINC000664951537 413756505 /nfs/dbraw/zinc/75/65/05/413756505.db2.gz AXPVUDOUEDXLHG-CYBMUJFWSA-N 2 0 292.383 1.326 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659453538 413839334 /nfs/dbraw/zinc/83/93/34/413839334.db2.gz MPRPRALQYABYKO-ZIAGYGMSSA-N 2 0 284.448 1.533 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000659523423 413920596 /nfs/dbraw/zinc/92/05/96/413920596.db2.gz LJJDDZCTQXLDOW-SWLSCSKDSA-N 2 0 292.427 1.879 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)NCC2([NH3+])CCCC2)cc1 ZINC000659525414 413923776 /nfs/dbraw/zinc/92/37/76/413923776.db2.gz GBPOUQNREWQYQV-GFCCVEGCSA-N 2 0 290.411 1.777 10 0 CDAERP CCC[N@@H+]1CC[C@@H](NC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000659610266 414015856 /nfs/dbraw/zinc/01/58/56/414015856.db2.gz NKGYATKVAIMWKR-ZBFHGGJFSA-N 2 0 294.443 1.256 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC000665235137 413963244 /nfs/dbraw/zinc/96/32/44/413963244.db2.gz QFTBSQMIFMBDSV-LBPRGKRZSA-N 2 0 276.446 1.308 10 0 CDAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCO[C@H]1CC1(F)F ZINC000665244028 413977850 /nfs/dbraw/zinc/97/78/50/413977850.db2.gz FCRZIWWGTVDAPM-ZANVPECISA-N 2 0 285.338 1.924 10 0 CDAERP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665254147 413980018 /nfs/dbraw/zinc/98/00/18/413980018.db2.gz IQQJEVFZNKNBMI-YYQUZTFQSA-N 2 0 291.414 1.811 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000665272880 414004061 /nfs/dbraw/zinc/00/40/61/414004061.db2.gz MXLBOKDZZDNDCZ-HRCADAONSA-N 2 0 294.443 1.475 10 0 CDAERP CC[C@H]1C[N@H+](CC)CCN1C(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000655132158 414085123 /nfs/dbraw/zinc/08/51/23/414085123.db2.gz ATCBSFPIKBVUDU-KGLIPLIRSA-N 2 0 282.432 1.206 10 0 CDAERP c1c(C[NH2+]CCCC[NH+]2CCOCC2)nn2c1CCC2 ZINC000657313807 414153576 /nfs/dbraw/zinc/15/35/76/414153576.db2.gz UILYHFCPFAQTSX-UHFFFAOYSA-N 2 0 278.400 1.031 10 0 CDAERP CNC(=O)c1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000655827300 414236716 /nfs/dbraw/zinc/23/67/16/414236716.db2.gz QVNAYUUEYJFRQN-OTVXOJSOSA-N 2 0 275.396 1.476 10 0 CDAERP CC(C)OC[C@@H](O)C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000663375022 414197252 /nfs/dbraw/zinc/19/72/52/414197252.db2.gz RKHSDJSQSMTCPH-INIZCTEOSA-N 2 0 284.444 1.484 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CN1C1CC1 ZINC000655806305 414197659 /nfs/dbraw/zinc/19/76/59/414197659.db2.gz URYOGLJHJMAUGY-RMRHIDDWSA-N 2 0 251.418 1.541 10 0 CDAERP CC[C@@](C)(O)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657354903 414204832 /nfs/dbraw/zinc/20/48/32/414204832.db2.gz YDGDHUPNMTWOCP-CQSZACIVSA-N 2 0 260.341 1.518 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)CN1CCO[C@@H]2CCCC[C@@H]21 ZINC000311705332 414288221 /nfs/dbraw/zinc/28/82/21/414288221.db2.gz MSASAWJJCXTOSL-SOUVJXGZSA-N 2 0 270.417 1.331 10 0 CDAERP C[C@H]1C[C@@H]([NH3+])CCN1Cc1nc2c(s1)C[NH2+]CC2 ZINC000663498763 414299192 /nfs/dbraw/zinc/29/91/92/414299192.db2.gz UAFANEMAAACKPL-UWVGGRQHSA-N 2 0 266.414 1.100 10 0 CDAERP CC(C)[C@@H]([NH3+])C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000037770568 173702986 /nfs/dbraw/zinc/70/29/86/173702986.db2.gz FLIXGUYNKSKQDP-GFCCVEGCSA-N 2 0 255.406 1.349 10 0 CDAERP CC(C)[N@H+](C)C[C@@H](O)CN1CC[C@@H](C)O[C@@H](C)C1 ZINC000661853747 414403855 /nfs/dbraw/zinc/40/38/55/414403855.db2.gz WSODGOAHWHGJCG-HZSPNIEDSA-N 2 0 258.406 1.187 10 0 CDAERP CCO[C@@H]1C[N@H+](C[C@@H](CC)CC(F)F)C[C@H]1C[NH3+] ZINC000662286941 414616963 /nfs/dbraw/zinc/61/69/63/414616963.db2.gz UPGZWOCTPXRRDK-QJPTWQEYSA-N 2 0 264.360 1.963 10 0 CDAERP COC[C@@H](C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)OC ZINC000662292518 414617754 /nfs/dbraw/zinc/61/77/54/414617754.db2.gz FURMBXQKOKIZAW-HUUCEWRRSA-N 2 0 270.417 1.359 10 0 CDAERP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@H]2CCCO2)CCO1 ZINC000662318667 414636577 /nfs/dbraw/zinc/63/65/77/414636577.db2.gz DDSSOXCTWSQGDP-ZIAGYGMSSA-N 2 0 256.390 1.208 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)C[NH2+]C2CCCC2)C1 ZINC000040503575 174300288 /nfs/dbraw/zinc/30/02/88/174300288.db2.gz UIYUKEBZWQDYHV-ZDUSSCGKSA-N 2 0 253.390 1.119 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000040503571 174300765 /nfs/dbraw/zinc/30/07/65/174300765.db2.gz OVZIUKVDQMPOCJ-AJNGGQMLSA-N 2 0 279.428 1.508 10 0 CDAERP [NH3+]C[C@@H]([C@@H]1CCOC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000040693753 174377652 /nfs/dbraw/zinc/37/76/52/174377652.db2.gz QWGPZCJLJKQOJZ-ZBFHGGJFSA-N 2 0 281.444 1.301 10 0 CDAERP C[C@H]1CC[N@H+](CCC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000040717015 174384464 /nfs/dbraw/zinc/38/44/64/174384464.db2.gz OCEFCLSJUDZKMQ-LBPRGKRZSA-N 2 0 261.369 1.816 10 0 CDAERP CCC(CC)[C@H](CNC(=O)[C@H]1CCC[NH2+]C1)[NH+](C)C ZINC000040831409 174413451 /nfs/dbraw/zinc/41/34/51/174413451.db2.gz UZQHMOKBBHTTLX-KBPBESRZSA-N 2 0 269.433 1.469 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1ccccc1C[NH3+] ZINC000041676074 174601847 /nfs/dbraw/zinc/60/18/47/174601847.db2.gz OGZDNDDCJBLZLA-GFCCVEGCSA-N 2 0 299.440 1.154 10 0 CDAERP CC[NH+](CC)CCC[C@@H](C)[NH2+]CC(=O)NCCCOC ZINC000042268706 174670605 /nfs/dbraw/zinc/67/06/05/174670605.db2.gz FSTXFTOMSVISOW-CQSZACIVSA-N 2 0 287.448 1.239 10 0 CDAERP COCC[N@H+](CCC1CC[NH2+]CC1)[C@@H](C)COC ZINC000042607979 174820573 /nfs/dbraw/zinc/82/05/73/174820573.db2.gz OXQWNRUNPCOGSK-ZDUSSCGKSA-N 2 0 258.406 1.359 10 0 CDAERP C[C@H]([NH3+])[C@@H](c1cccnc1)N1CC[NH+](C(C)(C)C)CC1 ZINC000043347504 175018249 /nfs/dbraw/zinc/01/82/49/175018249.db2.gz YAOZDHJTOQDYKH-ZFWWWQNUSA-N 2 0 276.428 1.886 10 0 CDAERP C[C@@H]([NH3+])[C@H](c1ccncc1)N1CC[NH+](C(C)(C)C)CC1 ZINC000043354130 175021360 /nfs/dbraw/zinc/02/13/60/175021360.db2.gz SKYCVCCCYRESEZ-UKRRQHHQSA-N 2 0 276.428 1.886 10 0 CDAERP CC[NH+](CC)CCC[C@H](C)[NH2+]CCCC(=O)N(C)C ZINC000043448235 175048871 /nfs/dbraw/zinc/04/88/71/175048871.db2.gz FEUDPFBJVHJXOS-AWEZNQCLSA-N 2 0 271.449 1.955 10 0 CDAERP C[NH+](C)CCOc1ccccc1N1CCC[NH2+]CC1 ZINC000043461528 175051562 /nfs/dbraw/zinc/05/15/62/175051562.db2.gz JGGMVFLFJOPEOU-UHFFFAOYSA-N 2 0 263.385 1.427 10 0 CDAERP CC[NH2+][C@@H](CN1CC[NH+](CC)CC1)c1ccccc1 ZINC000043805960 175108319 /nfs/dbraw/zinc/10/83/19/175108319.db2.gz OWTAXCAOPXGAAC-INIZCTEOSA-N 2 0 261.413 1.975 10 0 CDAERP CCC[C@@H]1CC[C@@H]([NH2+]C)[C@H](N2CC[NH+](C)CC2)C1 ZINC000043810652 175109378 /nfs/dbraw/zinc/10/93/78/175109378.db2.gz NNMKDJIOHTWTLK-RBSFLKMASA-N 2 0 253.434 1.791 10 0 CDAERP CC[NH2+][C@@H](c1ccc(OC)cc1)[C@@H](C)N1CC[NH+](C)CC1 ZINC000043810808 175110444 /nfs/dbraw/zinc/11/04/44/175110444.db2.gz BENXQEJLYSCJCO-RHSMWYFYSA-N 2 0 291.439 1.982 10 0 CDAERP C[NH2+][C@H]1c2ccccc2C[C@H]1N1CC[NH+](C(C)C)CC1 ZINC000043896934 175119813 /nfs/dbraw/zinc/11/98/13/175119813.db2.gz PDAJAWALFJSQKD-SJORKVTESA-N 2 0 273.424 1.898 10 0 CDAERP CC[NH2+][C@@H](CC)[C@H](C)N1CC[NH+](CC2CC2)CC1 ZINC000043967953 175129328 /nfs/dbraw/zinc/12/93/28/175129328.db2.gz GMDZAWRTJQFWLM-ZFWWWQNUSA-N 2 0 253.434 1.791 10 0 CDAERP C[N@H+](C[C@@H](O)COc1ccc(C[NH3+])cc1)CC(C)(C)C ZINC000045068172 175300343 /nfs/dbraw/zinc/30/03/43/175300343.db2.gz XFLGWXQPCCFBRG-CQSZACIVSA-N 2 0 280.412 1.863 10 0 CDAERP CCC[NH+]1CCN(CCC[C@@](C)([NH2+]C(C)C)C(N)=O)CC1 ZINC000045374047 175365595 /nfs/dbraw/zinc/36/55/95/175365595.db2.gz BMYAOGAIMBEAFB-MRXNPFEDSA-N 2 0 298.475 1.036 10 0 CDAERP CC(C)[NH2+][C@](C)(CCC[NH+]1CCC(C)CC1)C(N)=O ZINC000045375024 175365751 /nfs/dbraw/zinc/36/57/51/175365751.db2.gz DYMLGFCHGRRYKY-OAHLLOKOSA-N 2 0 269.433 1.741 10 0 CDAERP CC(C)[NH2+][C@@](C)(CCC[N@H+](C)C1CCN(C)CC1)C(N)=O ZINC000045379359 175368270 /nfs/dbraw/zinc/36/82/70/175368270.db2.gz WJTRNZSTXSCJID-INIZCTEOSA-N 2 0 298.475 1.035 10 0 CDAERP CC[NH2+][C@@](C)(CCCC[N@H+](C)C[C@@H](C)CC)C(N)=O ZINC000045388525 175374111 /nfs/dbraw/zinc/37/41/11/175374111.db2.gz IOEOJNZGGTVFHC-ZFWWWQNUSA-N 2 0 271.449 1.988 10 0 CDAERP CC(C)[NH2+][C@@](C)(CCCN1CC[NH+](C(C)C)CC1)C(N)=O ZINC000045393943 175376507 /nfs/dbraw/zinc/37/65/07/175376507.db2.gz XCYLNZLHOLKFCP-INIZCTEOSA-N 2 0 298.475 1.035 10 0 CDAERP COCC[NH+](CCCCC[NH2+]CC(C)C)CCOC ZINC000052571471 175535879 /nfs/dbraw/zinc/53/58/79/175535879.db2.gz WVXGIHOGVFLTLX-UHFFFAOYSA-N 2 0 274.449 1.997 10 0 CDAERP C[C@H](C[C@](C)(CO)[NH2+]C1CC1)N1CC[NH+](C2CC2)CC1 ZINC000070515182 175964673 /nfs/dbraw/zinc/96/46/73/175964673.db2.gz ZFFTVAUZQMQGHD-CZUORRHYSA-N 2 0 281.444 1.048 10 0 CDAERP CC[NH+](CC)C[C@H](C)N1CC[C@H]([NH2+]C2CC2)C1=O ZINC000071034712 176025012 /nfs/dbraw/zinc/02/50/12/176025012.db2.gz MKJDWTGZSZOYJU-AAEUAGOBSA-N 2 0 253.390 1.070 10 0 CDAERP CC[NH2+][C@H]1CCCN(CCC[N@@H+]2CCCC[C@@H]2C)C1=O ZINC000071037921 176026685 /nfs/dbraw/zinc/02/66/85/176026685.db2.gz KUBKRTOAABDOEB-GJZGRUSLSA-N 2 0 281.444 1.851 10 0 CDAERP CN(C[C@H]1CC[N@H+](C)C1)[C@@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000071188346 176062543 /nfs/dbraw/zinc/06/25/43/176062543.db2.gz URXIHOZXEUYEGL-BBRMVZONSA-N 2 0 289.423 1.505 10 0 CDAERP C[NH2+][C@H]1CCCCC[C@@H]1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188995 176064699 /nfs/dbraw/zinc/06/46/99/176064699.db2.gz YVEPUGMKMHUFJV-ILXRZTDVSA-N 2 0 253.434 1.791 10 0 CDAERP CCC[C@@]1(C(=O)N(C)C[C@H]2CC[N@H+](C)C2)CC[NH2+]C1 ZINC000071189626 176066038 /nfs/dbraw/zinc/06/60/38/176066038.db2.gz DMZBJJGGRMIZBF-DZGCQCFKSA-N 2 0 267.417 1.176 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)C[C@@](C)([NH3+])c1ccccc1 ZINC000071190926 176068574 /nfs/dbraw/zinc/06/85/74/176068574.db2.gz VPGSRMPQTHXTGF-GDBMZVCRSA-N 2 0 261.413 1.744 10 0 CDAERP CC(C)C[NH2+]CCCC[N@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000071191889 176071458 /nfs/dbraw/zinc/07/14/58/176071458.db2.gz IITZZRXIWOYWIU-OAHLLOKOSA-N 3 0 255.450 1.896 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192323 176073429 /nfs/dbraw/zinc/07/34/29/176073429.db2.gz QQEAUTWIWZOMII-LSDHHAIUSA-N 2 0 255.450 1.894 10 0 CDAERP C[C@@H](C[NH2+]C[C@H]1CCCO1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192188 176073904 /nfs/dbraw/zinc/07/39/04/176073904.db2.gz QXNUSNFNOSODNU-RRFJBIMHSA-N 2 0 269.433 1.027 10 0 CDAERP CCC[NH2+][C@@H]1CCN(C[C@@H](C)[NH+]2CCCCC2)C1 ZINC000071201182 176077936 /nfs/dbraw/zinc/07/79/36/176077936.db2.gz MLSJBXVLRMVSLJ-HUUCEWRRSA-N 2 0 253.434 1.935 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CNC1=[NH+]C[C@H](C2CC2)S1 ZINC000071307763 176116456 /nfs/dbraw/zinc/11/64/56/176116456.db2.gz CESXIQHBNKNNGE-VXGBXAGGSA-N 2 0 253.415 1.942 10 0 CDAERP C[N@H+](CCN1CC[C@H](C[NH2+]C2CC2)C1)C1CCCC1 ZINC000071377482 176142863 /nfs/dbraw/zinc/14/28/63/176142863.db2.gz OYHKHJXXRRZFQH-CQSZACIVSA-N 2 0 265.445 1.935 10 0 CDAERP CC[C@@H](C)[NH2+]CC(=O)NCC[N@H+](C)C1CCCC1 ZINC000071378782 176143900 /nfs/dbraw/zinc/14/39/00/176143900.db2.gz XALHDKQBGHQZLJ-GFCCVEGCSA-N 2 0 255.406 1.365 10 0 CDAERP CCn1ccnc1C[NH2+]CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000071871148 176283509 /nfs/dbraw/zinc/28/35/09/176283509.db2.gz AOELVABEHVQPQB-CYBMUJFWSA-N 2 0 280.416 1.085 10 0 CDAERP C[C@@H](CC[NH3+])CCC(=O)N(C)C1CC[NH+](C)CC1 ZINC000079078623 177429367 /nfs/dbraw/zinc/42/93/67/177429367.db2.gz OZIAQGFDCWEPML-GFCCVEGCSA-N 2 0 255.406 1.304 10 0 CDAERP CC[C@H](CC[NH3+])CCC(=O)NCCC[NH+]1CCCC1 ZINC000079207700 177445962 /nfs/dbraw/zinc/44/59/62/177445962.db2.gz MMINATFTKJVXLG-AWEZNQCLSA-N 2 0 269.433 1.744 10 0 CDAERP CC[NH+](CC)CCn1cc(NC(=O)[C@@]2(C)CCC[NH2+]2)cn1 ZINC000079516313 177512895 /nfs/dbraw/zinc/51/28/95/177512895.db2.gz UQXKJOKONAEXHV-OAHLLOKOSA-N 2 0 293.415 1.306 10 0 CDAERP CCCN(Cc1nc2c(s1)C[NH2+]CC2)[C@H]1CC[NH2+]C1 ZINC000663495691 423885455 /nfs/dbraw/zinc/88/54/55/423885455.db2.gz PCKSJYHZXSYXHG-NSHDSACASA-N 2 0 280.441 1.363 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000652205450 424029116 /nfs/dbraw/zinc/02/91/16/424029116.db2.gz YGSMNRDPMHDONW-ZDUSSCGKSA-N 2 0 270.421 1.016 10 0 CDAERP CC[C@@H]([NH2+]C)C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000662512938 424147906 /nfs/dbraw/zinc/14/79/06/424147906.db2.gz UKVQRICKXCASSG-DZGCQCFKSA-N 2 0 277.412 1.621 10 0 CDAERP CN(C)c1cc[nH+]cc1C(=O)NCCC1CC[NH2+]CC1 ZINC000653272746 424204781 /nfs/dbraw/zinc/20/47/81/424204781.db2.gz AEBZNCNCSKRHJV-UHFFFAOYSA-N 2 0 276.384 1.267 10 0 CDAERP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662591785 424208833 /nfs/dbraw/zinc/20/88/33/424208833.db2.gz FHRSMQUBIBZXHE-MJBXVCDLSA-N 2 0 281.444 1.611 10 0 CDAERP COC[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652338528 424257184 /nfs/dbraw/zinc/25/71/84/424257184.db2.gz SCFRKHGNLQMFGE-INIZCTEOSA-N 2 0 260.381 1.943 10 0 CDAERP C[NH2+]CCc1ccccc1C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655518944 424268582 /nfs/dbraw/zinc/26/85/82/424268582.db2.gz NARCSFIUSFBWNL-NSHDSACASA-N 2 0 289.301 1.068 10 0 CDAERP CC(C)([NH3+])CCC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000070087632 424279112 /nfs/dbraw/zinc/27/91/12/424279112.db2.gz NFWKNNDVOOOKJV-LBPRGKRZSA-N 2 0 253.390 1.201 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659602347 424319477 /nfs/dbraw/zinc/31/94/77/424319477.db2.gz HVCZBTUBQPTTGY-YDHLFZDLSA-N 2 0 294.443 1.525 10 0 CDAERP O=C(NCCC[C@@H]1CCC[NH2+]1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653145729 424373055 /nfs/dbraw/zinc/37/30/55/424373055.db2.gz HKLOXNUKIMLTCH-MELADBBJSA-N 2 0 265.401 1.165 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662710334 424358024 /nfs/dbraw/zinc/35/80/24/424358024.db2.gz GWASKUMNFDCLKK-GFCCVEGCSA-N 2 0 267.417 1.508 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000659624249 424433341 /nfs/dbraw/zinc/43/33/41/424433341.db2.gz PUWZUZWAZFIBNM-HZSPNIEDSA-N 2 0 284.448 1.484 10 0 CDAERP C[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)CS1 ZINC000655698749 424436193 /nfs/dbraw/zinc/43/61/93/424436193.db2.gz WTUCLAWLPUUXAO-JHJVBQTASA-N 2 0 258.431 1.317 10 0 CDAERP c1c(C[NH2+]CCCC[NH+]2CCOCC2)nn2c1CCCC2 ZINC000655711822 424481368 /nfs/dbraw/zinc/48/13/68/424481368.db2.gz NJJONDKBXLRSIM-UHFFFAOYSA-N 2 0 292.427 1.421 10 0 CDAERP C[C@@H]1CC[C@H]([NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CS1 ZINC000655716997 424495026 /nfs/dbraw/zinc/49/50/26/424495026.db2.gz RUTLQBBKTAELDZ-MCIONIFRSA-N 2 0 299.484 1.448 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000655489606 424507286 /nfs/dbraw/zinc/50/72/86/424507286.db2.gz VVZUFCHVPFIMSR-OKILXGFUSA-N 2 0 281.444 1.742 10 0 CDAERP O=C(C[C@H]1CC[NH2+]C1)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000662835360 424516690 /nfs/dbraw/zinc/51/66/90/424516690.db2.gz MMCNSQSNPKJGQE-MGPQQGTHSA-N 2 0 265.401 1.119 10 0 CDAERP CO[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)[C@H]1CCOC1 ZINC000665235691 424469800 /nfs/dbraw/zinc/46/98/00/424469800.db2.gz YSRBPMGCAUGBKS-DANNLKNASA-N 2 0 276.380 1.772 10 0 CDAERP C[NH+](C)CCC1CC[NH+](C[C@@H](O)CC(F)(F)F)CC1 ZINC000188864882 270273284 /nfs/dbraw/zinc/27/32/84/270273284.db2.gz SSJFQZGDYBUXQH-LBPRGKRZSA-N 2 0 282.350 1.963 10 0 CDAERP CC[NH+](CC)CCCNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173312898 270245535 /nfs/dbraw/zinc/24/55/35/270245535.db2.gz FPDCTNVGPORYPA-CABCVRRESA-N 2 0 298.475 1.842 10 0 CDAERP COc1ccc(CC[NH2+][C@@H](C)C[C@H]2CCC[NH2+]2)cn1 ZINC000530243351 271180842 /nfs/dbraw/zinc/18/08/42/271180842.db2.gz HQHHQYPMEFRRCF-GXTWGEPZSA-N 2 0 263.385 1.753 10 0 CDAERP CCC[NH2+]CC[C@@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001668095490 1173367425 /nfs/dbraw/zinc/36/74/25/1173367425.db2.gz ABMRDHPNDPCEPW-KGLIPLIRSA-N 2 0 269.433 1.755 10 0 CDAERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2COc3ccc(OC)cc3C2)C1 ZINC000296200036 276221831 /nfs/dbraw/zinc/22/18/31/276221831.db2.gz YWRHNDFQYKVSHA-HIFRSBDPSA-N 2 0 290.407 1.930 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H](C)[NH+](C)C1CC1 ZINC000176329882 276376671 /nfs/dbraw/zinc/37/66/71/276376671.db2.gz FYLYTNWXCOURJC-HIFRSBDPSA-N 2 0 296.459 1.595 10 0 CDAERP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000341704368 276393771 /nfs/dbraw/zinc/39/37/71/276393771.db2.gz GRBCXXXYQBQFEF-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH2+]CCN2CC=C(C)CC2)[C@@H](C)C1 ZINC000358214937 276395990 /nfs/dbraw/zinc/39/59/90/276395990.db2.gz BKBGIFFWLPIVOP-JKSUJKDBSA-N 2 0 265.445 1.958 10 0 CDAERP C[C@H](CC[NH2+]CC[C@H](C)F)NC(=O)C12CC[NH+](CC1)C2 ZINC001668280097 1173391884 /nfs/dbraw/zinc/39/18/84/1173391884.db2.gz ZINLKZBYOXUBSI-QWHCGFSZSA-N 2 0 285.407 1.315 10 0 CDAERP COc1cccc(N2CC[C@@H](C[NH2+][C@H](C)C3C[NH2+]C3)C2)c1 ZINC000422900894 278016379 /nfs/dbraw/zinc/01/63/79/278016379.db2.gz KGVCSAMPDLFLJI-KGLIPLIRSA-N 2 0 289.423 1.719 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000417835406 278221263 /nfs/dbraw/zinc/22/12/63/278221263.db2.gz NXWAJUAEOSWSJU-SDDRHHMPSA-N 2 0 253.390 1.008 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000312486641 279255060 /nfs/dbraw/zinc/25/50/60/279255060.db2.gz ZPUGKUXLHQPMMX-KGLIPLIRSA-N 2 0 277.416 1.553 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH+](C)C)CC1 ZINC000104846980 279263359 /nfs/dbraw/zinc/26/33/59/279263359.db2.gz DYXAPPGKAQUOKD-CQSZACIVSA-N 2 0 267.417 1.413 10 0 CDAERP C[C@H](C[NH2+]C1CCN(C(N)=O)CC1)C[NH+]1CCCCC1 ZINC000038042041 279346412 /nfs/dbraw/zinc/34/64/12/279346412.db2.gz XXGZJTCOILDCHS-CYBMUJFWSA-N 2 0 282.432 1.241 10 0 CDAERP Cn1ccnc1[C@H](O)[C@H]1CCC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261953965 279378914 /nfs/dbraw/zinc/37/89/14/279378914.db2.gz GKAMIKUEKCLVFS-SQWLQELKSA-N 2 0 292.427 1.165 10 0 CDAERP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)CC1CC[NH2+]CC1 ZINC000335431857 279644897 /nfs/dbraw/zinc/64/48/97/279644897.db2.gz ZCSZCZPHCDQWDN-MRXNPFEDSA-N 2 0 287.407 1.461 10 0 CDAERP CC(C)[NH+]1CCN(CCC[NH+]2[C@@H](C)CC(O)C[C@@H]2C)CC1 ZINC000192838010 279987098 /nfs/dbraw/zinc/98/70/98/279987098.db2.gz OYNMMVVIQIEKFR-HOTGVXAUSA-N 2 0 297.487 1.636 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)NCCC[NH+]1CCCCC1 ZINC000195123418 280070678 /nfs/dbraw/zinc/07/06/78/280070678.db2.gz KRKHULZGYQGYNN-AWEZNQCLSA-N 2 0 282.432 1.256 10 0 CDAERP CC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)[C@@H](O)C(F)F ZINC000449421894 280184368 /nfs/dbraw/zinc/18/43/68/280184368.db2.gz JWCGLVCSPLMXQD-VXGBXAGGSA-N 2 0 264.360 1.853 10 0 CDAERP CC(C)[C@H]([NH3+])C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000262576775 280273253 /nfs/dbraw/zinc/27/32/53/280273253.db2.gz ORIFSSAHVZBZKS-KBPBESRZSA-N 2 0 267.417 1.160 10 0 CDAERP CCOC[C@H](O)C[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000246982556 280313672 /nfs/dbraw/zinc/31/36/72/280313672.db2.gz VXYVGMYHZARXJC-MJBXVCDLSA-N 2 0 258.406 1.046 10 0 CDAERP C[C@@H]([NH2+][C@@H]1CCCN(CCCO)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527713092 281175193 /nfs/dbraw/zinc/17/51/93/281175193.db2.gz JYMVPIDNNPETLZ-OJLVUWQFSA-N 2 0 266.429 1.857 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000334964568 288321258 /nfs/dbraw/zinc/32/12/58/288321258.db2.gz NTHGPPOOWGEXLY-HIFRSBDPSA-N 2 0 294.443 1.254 10 0 CDAERP C[NH+](C)C1(CN[C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CCCCC1 ZINC000422756571 289058885 /nfs/dbraw/zinc/05/88/85/289058885.db2.gz LTAYUQWEWBKIQG-CVEARBPZSA-N 2 0 295.471 1.608 10 0 CDAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCC1=CCCC1 ZINC000152258490 289124331 /nfs/dbraw/zinc/12/43/31/289124331.db2.gz TYOGYQYQSHETTF-UHFFFAOYSA-N 2 0 296.459 1.622 10 0 CDAERP C[C@@]1(CN2CC[C@H](C[NH+]3CCCCC3)C2)CC[NH2+]C1 ZINC000261991574 289164579 /nfs/dbraw/zinc/16/45/79/289164579.db2.gz KGXALFPGVXEFLL-HZPDHXFCSA-N 2 0 265.445 1.794 10 0 CDAERP C[C@@H](O)C[N@@H+]1CCN(CC[NH+]2CCC(C)CC2)C[C@H]1C ZINC000153801365 289182415 /nfs/dbraw/zinc/18/24/15/289182415.db2.gz SIAHTWLLUMDJQJ-HZPDHXFCSA-N 2 0 283.460 1.105 10 0 CDAERP CC[C@H]1CC[C@H]1[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000554369840 290155846 /nfs/dbraw/zinc/15/58/46/290155846.db2.gz RLWHCGLGYGWGTH-ZNMIVQPWSA-N 2 0 283.460 1.857 10 0 CDAERP C[C@H](C[NH+]1C[C@@H](C)C[C@H](C)C1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000557569359 290353195 /nfs/dbraw/zinc/35/31/95/290353195.db2.gz HOOICYXFHDLXTA-FXUDXRNXSA-N 2 0 295.471 1.811 10 0 CDAERP CCC[C@H](C(=O)NC1CC[NH+](CC(C)C)CC1)[NH+](C)C ZINC000162002418 292817614 /nfs/dbraw/zinc/81/76/14/292817614.db2.gz RYNBQTMJNAMHEI-OAHLLOKOSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC(CCC[NH+](C)C)CC2)C1 ZINC000561309628 293077223 /nfs/dbraw/zinc/07/72/23/293077223.db2.gz QTJQXLFDFYRCAY-OAHLLOKOSA-N 2 0 295.471 1.909 10 0 CDAERP CC(C)[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000563205442 293310401 /nfs/dbraw/zinc/31/04/01/293310401.db2.gz GBEOSARIVITFEH-JYJNAYRXSA-N 2 0 293.455 1.850 10 0 CDAERP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000565894392 293706100 /nfs/dbraw/zinc/70/61/00/293706100.db2.gz MOPXKWQOKBAJAZ-CORIIIEPSA-N 2 0 273.380 1.069 10 0 CDAERP COC[C@H](C)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000574486578 295006772 /nfs/dbraw/zinc/00/67/72/295006772.db2.gz JYTNWJGKVOYGJN-VPSFDDGASA-N 2 0 295.471 1.512 10 0 CDAERP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CC[C@H]3CCC[C@H]3C2)CC1 ZINC000575039737 295089789 /nfs/dbraw/zinc/08/97/89/295089789.db2.gz CCBLPDHOKOTPRJ-YYIAUSFCSA-N 2 0 295.471 1.153 10 0 CDAERP [NH3+]CCCCCCC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000178746961 295227801 /nfs/dbraw/zinc/22/78/01/295227801.db2.gz DMMAAPXDWXFIII-UHFFFAOYSA-N 2 0 267.417 1.592 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000261773301 295271769 /nfs/dbraw/zinc/27/17/69/295271769.db2.gz ONSZCLPPVUIDNL-TZMCWYRMSA-N 2 0 265.401 1.058 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000085369812 295313675 /nfs/dbraw/zinc/31/36/75/295313675.db2.gz BCLBQPKFNTZDML-ZIAGYGMSSA-N 2 0 265.401 1.201 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CC[N@@H+]1C ZINC000417759606 297274308 /nfs/dbraw/zinc/27/43/08/297274308.db2.gz WKMYZPUPKDDVKU-IJEWVQPXSA-N 2 0 294.443 1.254 10 0 CDAERP CC[C@H](C)[N@H+](CCOC)CCN1CCC[NH2+]CC1 ZINC000061275523 523939092 /nfs/dbraw/zinc/93/90/92/523939092.db2.gz RJSTYOMSYBWGLM-AWEZNQCLSA-N 2 0 257.422 1.029 10 0 CDAERP [NH3+]C1(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)CCCC1 ZINC000371239396 303354057 /nfs/dbraw/zinc/35/40/57/303354057.db2.gz ZKUPHDBRIRUWRD-STQMWFEESA-N 2 0 265.401 1.249 10 0 CDAERP [NH3+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261697964 303385184 /nfs/dbraw/zinc/38/51/84/303385184.db2.gz FIIMSZZZXSZTKK-FRRDWIJNSA-N 2 0 253.390 1.091 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H](NC(=O)N2CCC3(CC[NH2+]C3)CC2)C1 ZINC000334954718 303458602 /nfs/dbraw/zinc/45/86/02/303458602.db2.gz DVVJEPQJAAVEGT-CHWSQXEVSA-N 2 0 280.416 1.041 10 0 CDAERP CC(C)=CC[NH2+]CCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001670095424 1173653225 /nfs/dbraw/zinc/65/32/25/1173653225.db2.gz KSAGZOSIHMINJW-INIZCTEOSA-N 2 0 293.455 1.733 10 0 CDAERP CC[N@@H+]1CC[C@@](C)(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001671648686 1173699729 /nfs/dbraw/zinc/69/97/29/1173699729.db2.gz JRYYIYITGDQVDR-UKRRQHHQSA-N 2 0 267.417 1.461 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000563382548 316281424 /nfs/dbraw/zinc/28/14/24/316281424.db2.gz CCFXUKKJWWDBQM-FFHGMXDLSA-N 2 0 279.428 1.460 10 0 CDAERP [NH3+][C@H]1CCC[C@H]([NH2+]CCNC(=O)c2ccccc2)C1 ZINC000563427326 316307826 /nfs/dbraw/zinc/30/78/26/316307826.db2.gz YPFIWYIMENLYMQ-KBPBESRZSA-N 2 0 261.369 1.276 10 0 CDAERP COc1cc(C)c(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c(C)n1 ZINC000575988772 317052912 /nfs/dbraw/zinc/05/29/12/317052912.db2.gz YREYQCDLLMLXDW-MNOVXSKESA-N 2 0 251.374 1.922 10 0 CDAERP CC(C)[NH+](CCNC(=O)N(C)CCC[NH+](C)C)C(C)C ZINC000185219394 323386114 /nfs/dbraw/zinc/38/61/14/323386114.db2.gz XBFDEQKHONCRJZ-UHFFFAOYSA-N 2 0 286.464 1.698 10 0 CDAERP CC(C)C[NH+]1CCC(NC(=O)N(C)CCC[NH+](C)C)CC1 ZINC000185296328 323388309 /nfs/dbraw/zinc/38/83/09/323388309.db2.gz CKNFBINJGYMGSJ-UHFFFAOYSA-N 2 0 298.475 1.700 10 0 CDAERP CNC(=O)C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000578882368 324048636 /nfs/dbraw/zinc/04/86/36/324048636.db2.gz KLDYNGBRSWYKNE-KKUMJFAQSA-N 2 0 275.396 1.723 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CCC[C@H]1C[NH+](C)C ZINC000579302079 324148500 /nfs/dbraw/zinc/14/85/00/324148500.db2.gz ZVQQTAOMQDQANF-ZDUSSCGKSA-N 2 0 255.406 1.271 10 0 CDAERP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)C(F)(F)F)CC1 ZINC000581246552 324690844 /nfs/dbraw/zinc/69/08/44/324690844.db2.gz ZYYVAIJIUHRKNB-LLVKDONJSA-N 2 0 268.323 1.621 10 0 CDAERP C[NH+](C)CCN(CC[NH+](C)C)Cc1cc2cccnc2o1 ZINC000582586722 325002905 /nfs/dbraw/zinc/00/29/05/325002905.db2.gz CHSMQVAPCYTELF-UHFFFAOYSA-N 2 0 290.411 1.753 10 0 CDAERP COCCN(C)C[C@H](O)C[NH+]1CCC(C)(C2CC2)CC1 ZINC000583639208 325213684 /nfs/dbraw/zinc/21/36/84/325213684.db2.gz ZQYJEKXWTSKFQA-HNNXBMFYSA-N 2 0 284.444 1.438 10 0 CDAERP [NH3+]Cc1cc(C(=O)NC2CC([NH+]3CCCCC3)C2)co1 ZINC000583870687 325257148 /nfs/dbraw/zinc/25/71/48/325257148.db2.gz KUSNEUQFVKGGSO-UHFFFAOYSA-N 2 0 277.368 1.485 10 0 CDAERP CC(C)[C@@H](C(=O)NCC1=CC[N@@H+](C(C)C)CC1)[NH+](C)C ZINC001677574613 1174375042 /nfs/dbraw/zinc/37/50/42/1174375042.db2.gz MQJVIHTVDLOFBZ-HNNXBMFYSA-N 2 0 281.444 1.729 10 0 CDAERP CC[NH2+]CC[C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001267897652 1159616582 /nfs/dbraw/zinc/61/65/82/1159616582.db2.gz YBYIUNQAJAEXQN-CQSZACIVSA-N 2 0 269.433 1.566 10 0 CDAERP CC[C@@H](C(=O)NC/C=C\CNCc1cscn1)[NH+](C)C ZINC001268593119 1159988606 /nfs/dbraw/zinc/98/86/06/1159988606.db2.gz QIGLSNUJMWLPCH-SZZPACECSA-N 2 0 296.440 1.245 10 0 CDAERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@@H](C)CO)C1 ZINC000678045118 482396984 /nfs/dbraw/zinc/39/69/84/482396984.db2.gz XROQIJIKOKXKCD-ZIAGYGMSSA-N 2 0 258.406 1.048 10 0 CDAERP CC[NH+](CC)CC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000653184191 482483007 /nfs/dbraw/zinc/48/30/07/482483007.db2.gz NNJXXMALMNVHEW-SOUVJXGZSA-N 2 0 297.443 1.073 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCOC[C@@H]2CCOC2)[C@H]2CCC[C@@H]21 ZINC000671746786 482543360 /nfs/dbraw/zinc/54/33/60/482543360.db2.gz ITALDQGVHYDLME-WCVJEAGWSA-N 2 0 282.428 1.502 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](CO)CC2)[C@@H]2CCC[C@H]21 ZINC000671750611 482622094 /nfs/dbraw/zinc/62/20/94/482622094.db2.gz KAGQXJZLZZTXIL-XFIYOXNOSA-N 2 0 266.429 2.000 10 0 CDAERP C[C@@H]1CC[C@H]([NH2+]CCCC[NH+]2CCOCC2)CS1 ZINC000655692331 482668601 /nfs/dbraw/zinc/66/86/01/482668601.db2.gz OSKKHOZHBYAACE-KGLIPLIRSA-N 2 0 272.458 1.973 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000334341762 482718912 /nfs/dbraw/zinc/71/89/12/482718912.db2.gz JLGTTYQFHCFXBT-MRXNPFEDSA-N 2 0 273.380 1.361 10 0 CDAERP CO[C@@H]1CCC[C@@H]([NH2+]CCCC[NH+]2CCN(C)CC2)C1 ZINC000684368884 482776871 /nfs/dbraw/zinc/77/68/71/482776871.db2.gz FUTFMWFEOQIVGK-HZPDHXFCSA-N 2 0 283.460 1.561 10 0 CDAERP CCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH3+])C1 ZINC000389850367 482859239 /nfs/dbraw/zinc/85/92/39/482859239.db2.gz BOFGQBNZFAQNAN-CQSZACIVSA-N 2 0 275.396 1.402 10 0 CDAERP C[C@H]([NH2+][C@@H](C)C1(S(C)(=O)=O)CC1)C1CC[NH+](C)CC1 ZINC000671768101 482876244 /nfs/dbraw/zinc/87/62/44/482876244.db2.gz BHKDEPWTZONSJJ-RYUDHWBXSA-N 2 0 288.457 1.272 10 0 CDAERP [NH3+]C[C@H](C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000336466469 482918625 /nfs/dbraw/zinc/91/86/25/482918625.db2.gz GYVPEGVGAQUZEX-RDJZCZTQSA-N 2 0 287.407 1.331 10 0 CDAERP Cc1ccc([C@H](CNC(=O)NC/C=C/C[NH3+])[NH+](C)C)cc1 ZINC000669418906 483021622 /nfs/dbraw/zinc/02/16/22/483021622.db2.gz BSSWPDAMKRNASH-RGDDUWESSA-N 2 0 290.411 1.412 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1C(=O)NCC[C@H]1C ZINC000685044942 483078803 /nfs/dbraw/zinc/07/88/03/483078803.db2.gz SPTNFBXDDYFWPR-IAQYHMDHSA-N 2 0 299.378 1.190 10 0 CDAERP C[C@@H](NC(=O)N[C@@H]1CCC[N@H+](C)C1)C(C)(C)C[NH+](C)C ZINC000674718412 483091342 /nfs/dbraw/zinc/09/13/42/483091342.db2.gz RRYSXTZJFPTLTP-CHWSQXEVSA-N 2 0 284.448 1.356 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000252153227 483105038 /nfs/dbraw/zinc/10/50/38/483105038.db2.gz MVBWEBZGDSTRMS-ZIAGYGMSSA-N 2 0 269.433 1.741 10 0 CDAERP C[NH+](C)Cc1cccc(NC(=O)C[C@H]2CC[NH2+]C2)c1 ZINC000089742076 483127840 /nfs/dbraw/zinc/12/78/40/483127840.db2.gz IDMYCMIUFOUQKN-GFCCVEGCSA-N 2 0 261.369 1.686 10 0 CDAERP CN(CCC(=O)N1CC[C@H](C[NH+](C)C)C1)c1cc[nH+]cc1 ZINC000679408324 483360608 /nfs/dbraw/zinc/36/06/08/483360608.db2.gz DPMTXNPIKAYEPJ-CQSZACIVSA-N 2 0 290.411 1.318 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000136496946 483409028 /nfs/dbraw/zinc/40/90/28/483409028.db2.gz YTZXAWFSMOHFAO-JHJVBQTASA-N 2 0 253.390 1.103 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)Nc2cccc3c2CC[NH2+]C3)C1 ZINC000667753991 483413522 /nfs/dbraw/zinc/41/35/22/483413522.db2.gz LPOQUWLFSQAMMH-CYBMUJFWSA-N 2 0 288.395 1.548 10 0 CDAERP C[NH+]1CCC(C)(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667959016 483494833 /nfs/dbraw/zinc/49/48/33/483494833.db2.gz BHLNZSQYAXFLSP-KBPBESRZSA-N 2 0 252.402 1.875 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC000676696438 483563937 /nfs/dbraw/zinc/56/39/37/483563937.db2.gz ZIUGNEYDPGHWDX-DZGCQCFKSA-N 2 0 279.428 1.604 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000683542103 483575003 /nfs/dbraw/zinc/57/50/03/483575003.db2.gz BXNGSXIXLMFFPM-AWEZNQCLSA-N 2 0 294.443 1.254 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C(C)C)N1CCN(CC[NH+](C)C)CC1 ZINC000061654978 519744405 /nfs/dbraw/zinc/74/44/05/519744405.db2.gz VRJNSENLJSYYIL-KRWDZBQOSA-N 2 0 298.519 1.436 10 0 CDAERP CCOCC[N@H+](C)[C@@H]1CCC[NH+](CCOCC)CC1 ZINC000156962512 519904403 /nfs/dbraw/zinc/90/44/03/519904403.db2.gz PANWQADJLRYSCP-OAHLLOKOSA-N 2 0 272.433 1.846 10 0 CDAERP CC(C)=CC[NH2+]C1(CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001670868491 1160992201 /nfs/dbraw/zinc/99/22/01/1160992201.db2.gz QJKJFEZIWJMCHS-UHFFFAOYSA-N 2 0 293.455 1.923 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@@H](C[N@H+](CC)CCOC)O1 ZINC000052542784 519935627 /nfs/dbraw/zinc/93/56/27/519935627.db2.gz OFSLXKKSLXTLLY-KGLIPLIRSA-N 2 0 258.406 1.502 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)C2CCOCC2)O1 ZINC000052481254 519953501 /nfs/dbraw/zinc/95/35/01/519953501.db2.gz BEQIMACKLXCSOB-UONOGXRCSA-N 2 0 256.390 1.254 10 0 CDAERP CCO[C@@H](C[NH3+])CC[N@H+](Cc1ccco1)C1CC1 ZINC000062741173 520307634 /nfs/dbraw/zinc/30/76/34/520307634.db2.gz MUWFGGLADWYCBL-CYBMUJFWSA-N 2 0 252.358 1.998 10 0 CDAERP CCC[C@@H](C)[C@@H](C[NH3+])N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062940283 520669537 /nfs/dbraw/zinc/66/95/37/520669537.db2.gz RRSNUGIRMBKAAI-RBSFLKMASA-N 2 0 253.434 1.920 10 0 CDAERP CC[NH+](CC)CCn1cc(NC(=O)C(C)(C)[NH2+]C)cn1 ZINC000061316799 520713242 /nfs/dbraw/zinc/71/32/42/520713242.db2.gz VJFZSDZPGJVPOE-UHFFFAOYSA-N 2 0 281.404 1.161 10 0 CDAERP C[C@H](C1CC1)N(C(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1)C1CC1 ZINC000923499943 1161545026 /nfs/dbraw/zinc/54/50/26/1161545026.db2.gz OSPQSQWVNAOIRX-NFAWXSAZSA-N 2 0 293.455 1.693 10 0 CDAERP CC[C@@H](C)[NH+]1CCN([C@@H](CC)C[NH2+]C2CC2)CC1 ZINC000055074624 522130017 /nfs/dbraw/zinc/13/00/17/522130017.db2.gz MZTSXTUDRVKTCE-HIFRSBDPSA-N 2 0 253.434 1.933 10 0 CDAERP CC[C@@H](C)NC(=O)CC[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000052205694 522154756 /nfs/dbraw/zinc/15/47/56/522154756.db2.gz PBIYRXDNBXQHNA-KGLIPLIRSA-N 2 0 269.433 1.755 10 0 CDAERP C[NH2+]Cc1sc(N2CCC[C@H]2C[NH+](C)C)nc1C ZINC000061655586 522168128 /nfs/dbraw/zinc/16/81/28/522168128.db2.gz VBMANJCYWMMXRC-NSHDSACASA-N 2 0 268.430 1.701 10 0 CDAERP CC(C)CN(CC[NH+](C)C)[C@H](C)C[NH2+]C[C@@H]1CCCO1 ZINC000053494820 519716801 /nfs/dbraw/zinc/71/68/01/519716801.db2.gz KIRGBTKBOXGCJD-CVEARBPZSA-N 2 0 285.476 1.663 10 0 CDAERP CC(C)[NH2+]C[C@H]1CCN(CC(C)(C)C[NH+](C)C)C1 ZINC000053010837 519725185 /nfs/dbraw/zinc/72/51/85/519725185.db2.gz IKWDETIQKHOXSV-CQSZACIVSA-N 2 0 255.450 1.894 10 0 CDAERP CC(C)C[NH+]1CCN(Cc2ccc[nH+]c2NN)CC1 ZINC000055081561 519726986 /nfs/dbraw/zinc/72/69/86/519726986.db2.gz ABHGFFXSFSDIMC-UHFFFAOYSA-N 2 0 263.389 1.141 10 0 CDAERP CC(C)C[NH+]1CCN(Cc2ccnc(C[NH3+])c2)CC1 ZINC000068750475 519726992 /nfs/dbraw/zinc/72/69/92/519726992.db2.gz VZQADAOMHHYKIG-UHFFFAOYSA-N 2 0 262.401 1.314 10 0 CDAERP CC(C)C[NH2+]CC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000053660835 519743161 /nfs/dbraw/zinc/74/31/61/519743161.db2.gz NMFMFBOHCPUWLT-HNNXBMFYSA-N 2 0 254.418 1.981 10 0 CDAERP CC(C)C[NH2+]C[C@@]1(CN(C)CC[NH+]2CCCC2)CCOC1 ZINC000063053545 519745534 /nfs/dbraw/zinc/74/55/34/519745534.db2.gz LQPIPFMZGLFJMB-QGZVFWFLSA-N 2 0 297.487 1.666 10 0 CDAERP CC(C)[C@@H](C[NH2+]C1CC1)N1CC[NH+](C(C)C)CC1 ZINC000052479958 519794797 /nfs/dbraw/zinc/79/47/97/519794797.db2.gz GVQVLBJFYZXIHG-OAHLLOKOSA-N 2 0 253.434 1.789 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)C2(C)CC[NH2+]CC2)CC1 ZINC000062840905 519843163 /nfs/dbraw/zinc/84/31/63/519843163.db2.gz JURYZNYGPBNGCI-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CCCC1CC[NH+](CC(=O)N2CCC[NH2+]CC2)CC1 ZINC000050893844 519900923 /nfs/dbraw/zinc/90/09/23/519900923.db2.gz TXPNAWMWNRAFJK-UHFFFAOYSA-N 2 0 267.417 1.320 10 0 CDAERP CCC[NH2+]CCC[C@@H](C)[N@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000052482886 519913580 /nfs/dbraw/zinc/91/35/80/519913580.db2.gz GFLLIBSMWZJGNW-CHWSQXEVSA-N 2 0 276.446 1.274 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000061266925 519936123 /nfs/dbraw/zinc/93/61/23/519936123.db2.gz RJUQHVZWOYJSTC-CHWSQXEVSA-N 2 0 255.406 1.079 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@@H](CN2CC[NH+](C(C)(C)C)CC2)O1 ZINC000052571691 519952881 /nfs/dbraw/zinc/95/28/81/519952881.db2.gz ITANFVMAMKHSGC-GJZGRUSLSA-N 2 0 283.460 1.560 10 0 CDAERP CCC[NH2+]Cc1occc1CN1CCC[N@H+](C)CC1 ZINC000052424219 519973735 /nfs/dbraw/zinc/97/37/35/519973735.db2.gz QSXBDWFWKPAECG-UHFFFAOYSA-N 2 0 265.401 1.917 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2ccoc2)O1 ZINC000052545673 519977878 /nfs/dbraw/zinc/97/78/78/519977878.db2.gz OAHZFIPXPLLEEA-KGLIPLIRSA-N 2 0 252.358 1.869 10 0 CDAERP CC[NH2+]Cc1occc1COC1CC[NH+](C)CC1 ZINC000052596664 520031712 /nfs/dbraw/zinc/03/17/12/520031712.db2.gz TURLXVQKDJVPRK-UHFFFAOYSA-N 2 0 252.358 2.000 10 0 CDAERP CC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](CCCC(=O)NC)C1 ZINC000068815670 520074836 /nfs/dbraw/zinc/07/48/36/520074836.db2.gz JLUHYOUTPLNFBN-QWHCGFSZSA-N 2 0 255.406 1.223 10 0 CDAERP CCC[C@@H](C)[N@H+](C)CCn1cc(C[NH2+]CC)nn1 ZINC000052480660 520644686 /nfs/dbraw/zinc/64/46/86/520644686.db2.gz OBYLWXPFEKQKFB-GFCCVEGCSA-N 2 0 253.394 1.508 10 0 CDAERP CCN(Cc1ccncc1)C1(C[NH3+])CC[NH+](CC)CC1 ZINC000049023825 521418744 /nfs/dbraw/zinc/41/87/44/521418744.db2.gz VTCYSYSDEWXRKW-UHFFFAOYSA-N 2 0 276.428 1.717 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)CCC2CCC([NH3+])CC2)C1 ZINC000055136946 521617628 /nfs/dbraw/zinc/61/76/28/521617628.db2.gz SNBDCLAMNCIKOI-YMAMQOFZSA-N 2 0 281.444 1.885 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000226814917 521647174 /nfs/dbraw/zinc/64/71/74/521647174.db2.gz QVOYYYMSJUBDEI-CWRNSKLLSA-N 2 0 289.423 1.923 10 0 CDAERP C[NH+](C)CCN1CCN([C@@H](C[NH3+])c2cccc(F)c2)CC1 ZINC000061642393 521763308 /nfs/dbraw/zinc/76/33/08/521763308.db2.gz UZXDEAHTTJYKAI-INIZCTEOSA-N 2 0 294.418 1.005 10 0 CDAERP C[NH+](C)CCN1CC[NH+]([C@H]2CCCCC[C@H]2C[NH3+])CC1 ZINC000061642679 521767478 /nfs/dbraw/zinc/76/74/78/521767478.db2.gz CSOPJKFJJUFYJH-HOTGVXAUSA-N 3 0 282.476 1.073 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000061644895 521863665 /nfs/dbraw/zinc/86/36/65/521863665.db2.gz YWRMUNVNYRUSJH-HZPDHXFCSA-N 2 0 287.407 1.254 10 0 CDAERP CN(C)C[C@H]1CCC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000061652452 521865483 /nfs/dbraw/zinc/86/54/83/521865483.db2.gz OYIZIQYLYKNTQT-OAHLLOKOSA-N 2 0 253.434 1.792 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1[C@@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC000061643513 521873061 /nfs/dbraw/zinc/87/30/61/521873061.db2.gz DZBMIXFANZLWLW-BMFZPTHFSA-N 2 0 259.397 1.637 10 0 CDAERP C[NH2+]C(C)(C)C(=O)N1CC[NH+](CCC(C)C)CC1 ZINC000061317652 521934760 /nfs/dbraw/zinc/93/47/60/521934760.db2.gz ICQOIBNSIIMJKN-UHFFFAOYSA-N 2 0 255.406 1.175 10 0 CDAERP C[NH2+]CC1(C[N@H+](C)C[C@H]2CCCO2)CCOCC1 ZINC000052183010 521967010 /nfs/dbraw/zinc/96/70/10/521967010.db2.gz KKGNMYLJHFUESO-CYBMUJFWSA-N 2 0 256.390 1.113 10 0 CDAERP C[NH2+]C[C@H]1CC[C@H](CN2CCC([NH+]3CCCCC3)CC2)O1 ZINC000052484241 522095268 /nfs/dbraw/zinc/09/52/68/522095268.db2.gz BNQULBFAFQRFQH-IAGOWNOFSA-N 2 0 295.471 1.704 10 0 CDAERP C[NH+](C)[C@H]1CCN(C(=O)CCC2CCC([NH3+])CC2)C1 ZINC000062985433 522102514 /nfs/dbraw/zinc/10/25/14/522102514.db2.gz CCDZIOLRNUUQGA-RUXDESIVSA-N 2 0 267.417 1.447 10 0 CDAERP CC[C@@H](C)[NH+]1CCN([C@H](C[NH3+])Cc2ccccc2)CC1 ZINC000055064578 522131198 /nfs/dbraw/zinc/13/11/98/522131198.db2.gz CHLVTYLTYGMNKU-WBVHZDCISA-N 2 0 275.440 1.973 10 0 CDAERP C[NH2+]Cc1nc(CN2CCC[N@H+](C)CC2)cs1 ZINC000052424026 522151587 /nfs/dbraw/zinc/15/15/87/522151587.db2.gz VNMZLWDXDVHOML-UHFFFAOYSA-N 2 0 254.403 1.000 10 0 CDAERP C[NH2+][C@@H](CN1CC[C@H]([NH+](C)C)C1)c1cccc(OC)c1 ZINC000062965028 522353761 /nfs/dbraw/zinc/35/37/61/522353761.db2.gz IUYXTVPEKVZBJY-HOCLYGCPSA-N 2 0 277.412 1.592 10 0 CDAERP C[NH2+][C@@H]1CCCC[C@H]1C[NH+](CCOC)CCOC ZINC000053859490 522377025 /nfs/dbraw/zinc/37/70/25/522377025.db2.gz DBSSTKYIYNLRLK-UONOGXRCSA-N 2 0 258.406 1.359 10 0 CDAERP C[NH2+][C@H](CN1CC[C@H]([NH+]2CCCCC2)C1)C1CC1 ZINC000069075465 522468576 /nfs/dbraw/zinc/46/85/76/522468576.db2.gz UVFXIZQVJFSVCJ-LSDHHAIUSA-N 2 0 251.418 1.545 10 0 CDAERP CC[C@@H]([NH3+])[C@H](c1ccco1)N1CC[C@H]([NH+](C)C)C1 ZINC000062964060 522654108 /nfs/dbraw/zinc/65/41/08/522654108.db2.gz GJXLZJMMFIGTRV-OUCADQQQSA-N 2 0 251.374 1.694 10 0 CDAERP CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000063125975 522659130 /nfs/dbraw/zinc/65/91/30/522659130.db2.gz PFJLLXLHMXOJJD-UONOGXRCSA-N 2 0 267.417 1.304 10 0 CDAERP C[N@H+](CCCC[NH2+]C(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000052482697 522735061 /nfs/dbraw/zinc/73/50/61/522735061.db2.gz JDDUQYNSBPQQGQ-LBPRGKRZSA-N 2 0 276.446 1.274 10 0 CDAERP COCC1CC[NH+](CCC[C@@](C)([NH2+]C(C)C)C(N)=O)CC1 ZINC000069507634 522933251 /nfs/dbraw/zinc/93/32/51/522933251.db2.gz KYCMGSZLWAUVIY-MRXNPFEDSA-N 2 0 299.459 1.367 10 0 CDAERP CC[C@H]1CC[C@H]([NH3+])[C@H](N(C)CC[NH+]2CCCC2)C1 ZINC000063051437 523206927 /nfs/dbraw/zinc/20/69/27/523206927.db2.gz OOULATLFQYCHOP-SOUVJXGZSA-N 2 0 253.434 1.920 10 0 CDAERP COCC[N@H+]([C@H](C)CC[NH2+]C(C)C)[C@@H](C)COC ZINC000052572459 523780717 /nfs/dbraw/zinc/78/07/17/523780717.db2.gz WPWODESRCHAUQZ-KGLIPLIRSA-N 2 0 260.422 1.746 10 0 CDAERP C[N@@H+]1CCCN(CC2(C[NH2+]C(C)(C)C)CCOCC2)CC1 ZINC000052181077 523807378 /nfs/dbraw/zinc/80/73/78/523807378.db2.gz MIWQFWGMCHSPHS-UHFFFAOYSA-N 2 0 297.487 1.809 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C[C@@H](C)C[NH2+]C2CC2)CC1 ZINC000055074730 523954872 /nfs/dbraw/zinc/95/48/72/523954872.db2.gz OZMGPHANBWUSEB-KBPBESRZSA-N 2 0 253.434 1.791 10 0 CDAERP C[C@H]1CCC[C@@H](C(=O)N2CCC[C@@H]2C[NH+](C)C)[NH2+]1 ZINC000061652096 524126601 /nfs/dbraw/zinc/12/66/01/524126601.db2.gz QGWMXBSYLJDQMZ-XQQFMLRXSA-N 2 0 253.390 1.070 10 0 CDAERP C[C@@H]1CCCC[C@@]1(C[NH3+])N1CCC[C@@H]1C[NH+](C)C ZINC000061643036 524152845 /nfs/dbraw/zinc/15/28/45/524152845.db2.gz JYFDUCLXFHDOTG-KFWWJZLASA-N 2 0 253.434 1.920 10 0 CDAERP C[C@H]1CCC[C@H](C(=O)NCCCC[NH+](C)C)[C@@H]1[NH3+] ZINC000055138961 524177212 /nfs/dbraw/zinc/17/72/12/524177212.db2.gz GEHKTYRHDXQNAF-RWMBFGLXSA-N 2 0 255.406 1.208 10 0 CDAERP C[C@H](C[NH+]1CCCC1)NC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055090488 524313736 /nfs/dbraw/zinc/31/37/36/524313736.db2.gz GTHGKPGUFYCGSO-UPJWGTAASA-N 2 0 253.390 1.104 10 0 CDAERP C[C@H](C[NH+]1CCCC1)NC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000049184795 524314511 /nfs/dbraw/zinc/31/45/11/524314511.db2.gz LGXOBSYVVLWLKD-HIFRSBDPSA-N 2 0 275.396 1.677 10 0 CDAERP C[C@H]1CC[C@@H](C(=O)NCCCC[NH+](C)C)C[C@@H]1[NH3+] ZINC000055138929 524333729 /nfs/dbraw/zinc/33/37/29/524333729.db2.gz DUCVBVNTJCRQBO-XQQFMLRXSA-N 2 0 255.406 1.208 10 0 CDAERP C[C@H]1CC[C@@H]([NH3+])C[C@@H]1C(=O)NCCC[NH+]1CCCC1 ZINC000062073395 524362947 /nfs/dbraw/zinc/36/29/47/524362947.db2.gz SJDHHIIQXYIOIX-MJBXVCDLSA-N 2 0 267.417 1.352 10 0 CDAERP C[C@H]1CC[C@@H]([NH3+])C[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC000055138661 524363284 /nfs/dbraw/zinc/36/32/84/524363284.db2.gz ONIYERYWOCCIHH-CRWXNKLISA-N 2 0 267.417 1.350 10 0 CDAERP C[C@H]1CC[C@H](C(=O)N2CCC(C[NH+](C)C)CC2)C[C@@H]1[NH3+] ZINC000055134888 524379265 /nfs/dbraw/zinc/37/92/65/524379265.db2.gz CMLCFBJNBVBGEI-QEJZJMRPSA-N 2 0 281.444 1.550 10 0 CDAERP Cc1ccc(C[NH2+]CCCC[NH+]2CCOCC2)o1 ZINC000097356981 524575932 /nfs/dbraw/zinc/57/59/32/524575932.db2.gz DWRRPWTUITZNQG-UHFFFAOYSA-N 2 0 252.358 1.790 10 0 CDAERP Cc1cccc([C@H](C[NH3+])N2CCN(CC[NH+](C)C)CC2)c1 ZINC000061642314 524879092 /nfs/dbraw/zinc/87/90/92/524879092.db2.gz BOEXGCHSWPVRHT-KRWDZBQOSA-N 2 0 290.455 1.174 10 0 CDAERP C[C@H](NC(=O)[C@@H]1CC[C@@H]([NH3+])C1)C(C)(C)C[NH+](C)C ZINC000237458237 525144892 /nfs/dbraw/zinc/14/48/92/525144892.db2.gz GDJGEWFOXQZOFH-QJPTWQEYSA-N 2 0 255.406 1.206 10 0 CDAERP C[C@@H]1C[C@H](C(=O)NCC(C)(C)[NH+](C)C)CC[C@@H]1[NH3+] ZINC000055141686 525360295 /nfs/dbraw/zinc/36/02/95/525360295.db2.gz VQLPSBRIBPNUSK-UTUOFQBUSA-N 2 0 255.406 1.206 10 0 CDAERP C[C@@H]1C[C@H](C(=O)NC[C@@H]2CCC[N@H+](C)C2)CC[C@@H]1[NH3+] ZINC000055138487 525362895 /nfs/dbraw/zinc/36/28/95/525362895.db2.gz BHQKAIZBJLHKKB-RQJABVFESA-N 2 0 267.417 1.208 10 0 CDAERP Cc1ccc([C@H]([C@H](C)[NH3+])N2CCN(CC[NH+](C)C)CC2)o1 ZINC000061642334 525979631 /nfs/dbraw/zinc/97/96/31/525979631.db2.gz LMKAXHSCCMHKHB-HOCLYGCPSA-N 2 0 294.443 1.156 10 0 CDAERP C[C@H](CC(C)(C)c1ccccc1)[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000263130876 526257473 /nfs/dbraw/zinc/25/74/73/526257473.db2.gz BPXLTYLKBLQKNR-IIAWOOMASA-N 2 0 276.424 1.913 10 0 CDAERP C[C@H]1CCCC[C@@]1(C[NH3+])N1CCC[C@@H]1C[NH+](C)C ZINC000061643037 526259829 /nfs/dbraw/zinc/25/98/29/526259829.db2.gz JYFDUCLXFHDOTG-ZNMIVQPWSA-N 2 0 253.434 1.920 10 0 CDAERP O=C(CC[C@H]1CCCC[NH2+]1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000050951801 526565373 /nfs/dbraw/zinc/56/53/73/526565373.db2.gz XYHCCLJUEYMMNI-CHWSQXEVSA-N 2 0 265.401 1.262 10 0 CDAERP [NH3+]CCCC[N@@H+]1CCCN(CCC[NH+]2CCCC2)CC1 ZINC000049332114 527175697 /nfs/dbraw/zinc/17/56/97/527175697.db2.gz XJZCTCOTDFECRS-UHFFFAOYSA-N 3 0 282.476 1.219 10 0 CDAERP [NH3+]CCC[N@H+](CC(=O)NCC(F)(F)F)C1CCCC1 ZINC000049309667 527178698 /nfs/dbraw/zinc/17/86/98/527178698.db2.gz JPYNOWQNZHSBKO-UHFFFAOYSA-N 2 0 281.322 1.258 10 0 CDAERP [NH3+]C[C@@H](c1ccncc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062977608 527207846 /nfs/dbraw/zinc/20/78/46/527207846.db2.gz KELBKUGSFUQHTA-GJZGRUSLSA-N 2 0 260.385 1.252 10 0 CDAERP Nc1cc(N)[nH+]c(SCCC[C@@H]2CCC[NH2+]2)n1 ZINC000052783006 527455588 /nfs/dbraw/zinc/45/55/88/527455588.db2.gz JTHOONUSBHQRDI-QMMMGPOBSA-N 2 0 253.375 1.265 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]([NH3+])CC2CCCCC2)C1 ZINC000261726010 535533480 /nfs/dbraw/zinc/53/34/80/535533480.db2.gz KRHXIEFHXBHRIG-HUUCEWRRSA-N 2 0 281.444 1.885 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)[C@H]2C[C@@H]2C)CC1 ZINC000414066085 535740569 /nfs/dbraw/zinc/74/05/69/535740569.db2.gz PDQZIZFNSMAGMG-YJNKXOJESA-N 2 0 253.434 1.647 10 0 CDAERP CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)CC(C)(C)[NH3+] ZINC000262023441 536423842 /nfs/dbraw/zinc/42/38/42/536423842.db2.gz WKJQZGFANIQDQU-DZGCQCFKSA-N 2 0 293.459 1.472 10 0 CDAERP COc1cc(C)c(C[NH2+][C@H](C)CCC[NH3+])c(C)n1 ZINC000415018481 536578507 /nfs/dbraw/zinc/57/85/07/536578507.db2.gz GRVMUBXZDGQUGA-LLVKDONJSA-N 2 0 251.374 1.924 10 0 CDAERP COCC[N@H+](C)CCCN[C@@H](C)c1c[nH+]ccc1N ZINC000422850528 536797548 /nfs/dbraw/zinc/79/75/48/536797548.db2.gz VZKCOOSPSUCKDE-LBPRGKRZSA-N 2 0 266.389 1.113 10 0 CDAERP CN(Cc1ccccc1)C[C@H](O)C[N@@H+]1CCCSCC1 ZINC000119260691 538167437 /nfs/dbraw/zinc/16/74/37/538167437.db2.gz VRPPZUSYZIFCTG-INIZCTEOSA-N 2 0 294.464 1.918 10 0 CDAERP C[N@H+](CCSc1ccc(F)cc1)CCN1CC[NH2+]CC1 ZINC000071150136 538410366 /nfs/dbraw/zinc/41/03/66/538410366.db2.gz WYLUCMMJPCSHNG-UHFFFAOYSA-N 2 0 297.443 1.755 10 0 CDAERP COC[C@@H](C)C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000668488897 538434374 /nfs/dbraw/zinc/43/43/74/538434374.db2.gz HAXXOJIYFVXTPP-YOEHRIQHSA-N 2 0 292.423 1.625 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)N(C)C2CC[NH+](C)CC2)C1 ZINC000096628118 1174575290 /nfs/dbraw/zinc/57/52/90/1174575290.db2.gz LXHYJPRMJWCHOO-CQSZACIVSA-N 2 0 281.444 1.659 10 0 CDAERP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3ccoc3)C2)CC1 ZINC000732822855 575097497 /nfs/dbraw/zinc/09/74/97/575097497.db2.gz SHWUSBVCHBQWDD-AWEZNQCLSA-N 2 0 263.385 1.538 10 0 CDAERP C[N@@H+](C/C=C/Cl)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001689793593 1175251565 /nfs/dbraw/zinc/25/15/65/1175251565.db2.gz PLCXZSNTQXJLMY-NTYUQYKDSA-N 2 0 273.808 1.271 10 0 CDAERP CC(=O)N1CCC[C@H](C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925661293 617606339 /nfs/dbraw/zinc/60/63/39/617606339.db2.gz CXIRPJYVCHKLKV-ILXRZTDVSA-N 2 0 281.444 1.741 10 0 CDAERP C[NH+]1CCN(CCC[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925521354 617433562 /nfs/dbraw/zinc/43/35/62/617433562.db2.gz UGJSPTAKZCCBLZ-GJZGRUSLSA-N 3 0 282.476 1.120 10 0 CDAERP C[NH+](C)C1CCN(CC[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925532939 617465446 /nfs/dbraw/zinc/46/54/46/617465446.db2.gz YXDKFWZQRVOPJP-LSDHHAIUSA-N 3 0 296.503 1.508 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]Cc2ccc(C(N)=O)nc2)C1 ZINC000925543925 617487813 /nfs/dbraw/zinc/48/78/13/617487813.db2.gz WYOIRDYKKSGSKX-RYUDHWBXSA-N 2 0 276.384 1.176 10 0 CDAERP CC1(C)C[C@@H]([NH2+]CCOC[C@@H]2CCOC2)C[C@@H]([NH3+])C1 ZINC000925568931 617517221 /nfs/dbraw/zinc/51/72/21/617517221.db2.gz YLZXYDYVQBERPX-MCIONIFRSA-N 2 0 270.417 1.535 10 0 CDAERP CC(C)[C@H](O)C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925617233 617562653 /nfs/dbraw/zinc/56/26/53/617562653.db2.gz BVSWXIXVEXXCTF-RRFJBIMHSA-N 2 0 254.418 1.761 10 0 CDAERP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)[C@@H](O)Cc1ccccc1 ZINC000925619073 617563922 /nfs/dbraw/zinc/56/39/22/617563922.db2.gz XOWUGJPJXMXMQV-ARLBYUKCSA-N 2 0 274.408 1.838 10 0 CDAERP CC(C)[NH+]1CCC(NC[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000925842818 617874511 /nfs/dbraw/zinc/87/45/11/617874511.db2.gz NWHPOIGTLAPFBT-HZPDHXFCSA-N 2 0 265.445 1.981 10 0 CDAERP CC(C)[C@H](C)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925856487 617895835 /nfs/dbraw/zinc/89/58/35/617895835.db2.gz QZWKLSZJYRRMMS-NWDGAFQWSA-N 2 0 254.374 1.306 10 0 CDAERP C[N@@H+]1CC[C@H](NCc2cc(N)cc[nH+]2)[C@H]2CCC[C@H]21 ZINC000925767416 617617649 /nfs/dbraw/zinc/61/76/49/617617649.db2.gz ONLKUDQYVJFKOU-QLFBSQMISA-N 2 0 260.385 1.626 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925669930 617627428 /nfs/dbraw/zinc/62/74/28/617627428.db2.gz ZDZSMCIDNDMWFC-MELADBBJSA-N 2 0 253.434 1.966 10 0 CDAERP COC(=O)c1cc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])n(C)c1C ZINC000925771248 617636426 /nfs/dbraw/zinc/63/64/26/617636426.db2.gz ZAAJDDVAKHLALB-RISCZKNCSA-N 2 0 279.384 1.337 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H]2CCCN(CCCO)C2)C1 ZINC000925678137 617647892 /nfs/dbraw/zinc/64/78/92/617647892.db2.gz CPZIYHVJPIOBHA-QLFBSQMISA-N 2 0 283.460 1.329 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](CO)c2ccc(F)cc2)C12CCC2 ZINC000925692197 617700295 /nfs/dbraw/zinc/70/02/95/617700295.db2.gz QQZIVEORMPMSSW-BPLDGKMQSA-N 2 0 278.371 1.761 10 0 CDAERP COCC1(C[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)CC[NH2+]CC1 ZINC000925697798 617734997 /nfs/dbraw/zinc/73/49/97/617734997.db2.gz AEQIKDDUAKJVGY-ARFHVFGLSA-N 2 0 296.455 1.797 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000925802706 617737820 /nfs/dbraw/zinc/73/78/20/617737820.db2.gz IBWGBOVTZKROED-YRGRVCCFSA-N 2 0 262.401 1.633 10 0 CDAERP C(CN[C@H]1CC[NH2+]C[C@H]1C1CCCC1)C[NH2+]C1CC1 ZINC000925711376 617806849 /nfs/dbraw/zinc/80/68/49/617806849.db2.gz YMHTTYHWOPQDLX-HOTGVXAUSA-N 2 0 265.445 1.886 10 0 CDAERP C[NH+](C)CC[C@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccnc1 ZINC000925826235 617820024 /nfs/dbraw/zinc/82/00/24/617820024.db2.gz FZPNPLJYKRMGIB-WFVVYAPDSA-N 2 0 288.439 1.947 10 0 CDAERP C[NH+](C)CC[C@H](N[C@@H]1CCC[C@H]1C[NH3+])c1cccnc1 ZINC000925828365 617844485 /nfs/dbraw/zinc/84/44/85/617844485.db2.gz WVZVROIBMPKVPZ-IMJJTQAJSA-N 2 0 276.428 1.791 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000925829410 617847123 /nfs/dbraw/zinc/84/71/23/617847123.db2.gz DBZRZIFOHXKUPE-VIFPVBQESA-N 2 0 294.321 1.282 10 0 CDAERP CN(C)[C@H](CC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C(F)(F)F ZINC000925838014 617868779 /nfs/dbraw/zinc/86/87/79/617868779.db2.gz VCUABSPDLXVZDS-NFXCPBFJSA-N 2 0 291.361 1.455 10 0 CDAERP C[C@@H](Cc1cnccn1)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925839155 617870274 /nfs/dbraw/zinc/87/02/74/617870274.db2.gz GOVKFCJXRBXKJD-NWANDNLSSA-N 2 0 260.385 1.529 10 0 CDAERP CC[C@@H](NC[C@]12CCC[C@H]1[NH2+]CC2)[C@@H]1CCC[NH2+]1 ZINC000925841032 617873039 /nfs/dbraw/zinc/87/30/39/617873039.db2.gz YGZPVGNJBYDIFV-LXTVHRRPSA-N 2 0 251.418 1.639 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCS[C@H](C)C1 ZINC000925861462 617901757 /nfs/dbraw/zinc/90/17/57/617901757.db2.gz PXVHTWZDLRHMQV-RXGFPQBGSA-N 2 0 258.431 1.612 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCOC[C@@H]1CCCO1 ZINC000925069522 618858724 /nfs/dbraw/zinc/85/87/24/618858724.db2.gz CAUWUXUTZJMWOH-MBOZISHXSA-N 2 0 268.401 1.112 10 0 CDAERP Cc1n[nH]c(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1C ZINC000894782989 619058412 /nfs/dbraw/zinc/05/84/12/619058412.db2.gz OQFDIUVEWJAQLU-QMTHXVAHSA-N 2 0 250.390 1.799 10 0 CDAERP CSC1(C[NH2+][C@H]2COCC2(C)C)CC[NH+](C)CC1 ZINC000894793787 619066093 /nfs/dbraw/zinc/06/60/93/619066093.db2.gz IJARRIBOXOSGJS-LBPRGKRZSA-N 2 0 272.458 1.828 10 0 CDAERP CC[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)OC ZINC000895127015 619322367 /nfs/dbraw/zinc/32/23/67/619322367.db2.gz DATSPJGTZQBISO-FRRDWIJNSA-N 2 0 254.374 1.402 10 0 CDAERP CC(C)[C@@H]1COCC[C@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000925118950 619378363 /nfs/dbraw/zinc/37/83/63/619378363.db2.gz VOTUVTDHPMXPCV-UONOGXRCSA-N 2 0 270.417 1.094 10 0 CDAERP CC(=O)NCC1CCC([NH2+]CC[C@@H](C)[NH+](C)C)CC1 ZINC000895290330 619522791 /nfs/dbraw/zinc/52/27/91/619522791.db2.gz GXRMETQAMHYMMC-LRVUVFPRSA-N 2 0 269.433 1.611 10 0 CDAERP C[NH+](C)CC(C)(C)CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC000895460878 619677506 /nfs/dbraw/zinc/67/75/06/619677506.db2.gz WDUPBTSFONAIOT-HNNXBMFYSA-N 2 0 267.417 1.176 10 0 CDAERP C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@H]1c1ccccc1 ZINC000897240733 620436577 /nfs/dbraw/zinc/43/65/77/620436577.db2.gz OSVIPFDWEJDYKA-OWCLPIDISA-N 2 0 287.407 1.642 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+][C@H](C)C(C)(C)CO)CC1 ZINC000924657179 621637283 /nfs/dbraw/zinc/63/72/83/621637283.db2.gz GIUHUUPTGRILLR-CQSZACIVSA-N 2 0 271.449 1.011 10 0 CDAERP C[C@@H](NC(=[NH2+])NCC1([NH+]2CCCC2)CCOCC1)C1CC1 ZINC000899267686 622145350 /nfs/dbraw/zinc/14/53/50/622145350.db2.gz SPPPDRHXKDNPAN-CYBMUJFWSA-N 2 0 294.443 1.544 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H](CO)Cc1ccccc1 ZINC000924757019 622274679 /nfs/dbraw/zinc/27/46/79/622274679.db2.gz PRPOBFKZDBTIMY-HRBLRVMOSA-N 2 0 288.435 1.767 10 0 CDAERP C([NH2+][C@@H]1CCO[C@]12CCOC2)[C@H]1CCN1C1CCCCC1 ZINC000903205380 625898174 /nfs/dbraw/zinc/89/81/74/625898174.db2.gz HQQMUZFXGQHPLC-ZACQAIPSSA-N 2 0 294.439 1.931 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CC2(C3(O)CCOCC3)CC2)CC1(C)C ZINC000903347760 625974100 /nfs/dbraw/zinc/97/41/00/625974100.db2.gz VCXAZZTWSUSAHP-CQSZACIVSA-N 2 0 296.455 1.771 10 0 CDAERP OC1(C2(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)CCOCC1 ZINC000903349967 625975763 /nfs/dbraw/zinc/97/57/63/625975763.db2.gz NAKJDPRBAZPUSP-HUUCEWRRSA-N 2 0 294.439 1.525 10 0 CDAERP C[C@@H]([NH2+]CC1(C2(O)CCOCC2)CC1)C1CC[NH+](C)CC1 ZINC000903349595 625975798 /nfs/dbraw/zinc/97/57/98/625975798.db2.gz IRJAZXZSFTVDAZ-CQSZACIVSA-N 2 0 296.455 1.628 10 0 CDAERP CCC[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000903427400 625989100 /nfs/dbraw/zinc/98/91/00/625989100.db2.gz YUVKXGKYHIXHCR-FRRDWIJNSA-N 2 0 274.430 1.013 10 0 CDAERP CCCC(=O)NC1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903430865 625989998 /nfs/dbraw/zinc/98/99/98/625989998.db2.gz FQUPQMGAMZRPDC-OLZOCXBDSA-N 2 0 267.417 1.495 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN(c3cncc(F)c3)CC2)C1 ZINC000903459528 625994711 /nfs/dbraw/zinc/99/47/11/625994711.db2.gz VEXKGVMZHIZXRW-GXTWGEPZSA-N 2 0 278.375 1.470 10 0 CDAERP c1cc(CC[NH+]2CCC3(CC[NH2+]C3)CC2)sn1 ZINC000903451467 626000385 /nfs/dbraw/zinc/00/03/85/626000385.db2.gz ACTQCMMZSJRMAP-UHFFFAOYSA-N 2 0 251.399 1.761 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000903453714 626001066 /nfs/dbraw/zinc/00/10/66/626001066.db2.gz JLAIPMNHXNCFEK-QXSJWSMHSA-N 3 0 265.445 1.554 10 0 CDAERP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCc2ccns2)CC1 ZINC000903453501 626001279 /nfs/dbraw/zinc/00/12/79/626001279.db2.gz ACIWFTKPPDMBPK-KGLIPLIRSA-N 2 0 281.425 1.514 10 0 CDAERP COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903456040 626002162 /nfs/dbraw/zinc/00/21/62/626002162.db2.gz CVKZKKDVVCLWKE-QMVSFRDZSA-N 2 0 266.385 1.387 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCCN(CC(F)F)CC2)C1 ZINC000903456736 626002184 /nfs/dbraw/zinc/00/21/84/626002184.db2.gz KFYZCGOHDPBNNN-NWDGAFQWSA-N 2 0 261.360 1.387 10 0 CDAERP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC[C@@H]1C(F)(F)F ZINC000903473855 626004686 /nfs/dbraw/zinc/00/46/86/626004686.db2.gz AODNSOWNUDXVLJ-WYUUTHIRSA-N 3 0 279.350 1.573 10 0 CDAERP Cc1nc([C@H]2CC[N@H+](CCCCCC[NH3+])C2)no1 ZINC000903491002 626010588 /nfs/dbraw/zinc/01/05/88/626010588.db2.gz QMFHKAGDKSOAKD-LBPRGKRZSA-N 2 0 252.362 1.686 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCCCCCC[NH3+])C2 ZINC000903492896 626011050 /nfs/dbraw/zinc/01/10/50/626011050.db2.gz KWJMCRVRHGMDQP-LZWOXQAQSA-N 3 0 297.443 1.108 10 0 CDAERP C([NH2+]C1CCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1)C1CC1 ZINC000903716892 626061548 /nfs/dbraw/zinc/06/15/48/626061548.db2.gz DHIHSSCUIGIGAR-IAGOWNOFSA-N 2 0 293.455 1.219 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCC[C@H](C)[C@@H]2C)cnn1C ZINC000903889777 626124255 /nfs/dbraw/zinc/12/42/55/626124255.db2.gz VFIRJFOLADECIL-KCQAQPDRSA-N 2 0 278.444 1.966 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCSC[C@@H]2C)cnn1C ZINC000903892061 626127241 /nfs/dbraw/zinc/12/72/41/626127241.db2.gz GGSLAJPEGZSRLG-WCQYABFASA-N 2 0 282.457 1.283 10 0 CDAERP CC[C@H](C)C[N@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903885150 626133138 /nfs/dbraw/zinc/13/31/38/626133138.db2.gz IQPKHASGTZVSPW-QWHCGFSZSA-N 2 0 265.405 1.681 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)cnn1C ZINC000903929611 626150271 /nfs/dbraw/zinc/15/02/71/626150271.db2.gz HSACDAVPVRMODW-OAGGEKHMSA-N 2 0 290.455 1.968 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[NH2+]C(C)(C)COC(C)C)cnn1C ZINC000903930544 626151116 /nfs/dbraw/zinc/15/11/16/626151116.db2.gz ZRKNOGZOFDWZPJ-AWEZNQCLSA-N 2 0 296.459 1.639 10 0 CDAERP [NH3+][C@H](CNc1ccc2c(c1)OCC[NH2+]C2)CC(F)F ZINC000903935136 626153616 /nfs/dbraw/zinc/15/36/16/626153616.db2.gz NYUZBYVQJGSFFH-JTQLQIEISA-N 2 0 271.311 1.563 10 0 CDAERP N[C@@H]1CCCCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903936028 626154192 /nfs/dbraw/zinc/15/41/92/626154192.db2.gz XEVUJBTXYMHUOI-NUDNTCICSA-N 2 0 251.418 1.720 10 0 CDAERP COC(=O)C1CCC([NH2+]C[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000903957430 626158086 /nfs/dbraw/zinc/15/80/86/626158086.db2.gz QUQXPBNDWDQNLH-CXQJBGSLSA-N 2 0 290.354 1.553 10 0 CDAERP COc1cccc(C[C@@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)n1 ZINC000903955993 626166968 /nfs/dbraw/zinc/16/69/68/626166968.db2.gz DUSDUVBUUZFZBZ-VXGBXAGGSA-N 2 0 299.365 1.856 10 0 CDAERP C[C@H](C[C@H]1CCC[NH2+]1)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903970167 626167635 /nfs/dbraw/zinc/16/76/35/626167635.db2.gz RMHFJACKGRBWRF-KFWWJZLASA-N 2 0 281.444 1.265 10 0 CDAERP C[C@]1(CN2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)CC[NH2+]C1 ZINC000903983073 626167663 /nfs/dbraw/zinc/16/76/63/626167663.db2.gz BGDGEEDENUMIOV-DCAQKATOSA-N 2 0 265.323 1.198 10 0 CDAERP c1nnn([C@@H]2CCC[NH2+]C2)c1C[NH2+][C@]12C[C@H]1CCC2 ZINC000904444077 626299394 /nfs/dbraw/zinc/29/93/94/626299394.db2.gz ONCHOVOFYUCBRK-YRGRVCCFSA-N 2 0 261.373 1.235 10 0 CDAERP C[C@H]1[C@@H](NC(=S)NCC(C)(C)C[NH+](C)C)CC[N@@H+]1C ZINC000905651458 626900418 /nfs/dbraw/zinc/90/04/18/626900418.db2.gz WDEYTIMLNGOXID-RYUDHWBXSA-N 2 0 286.489 1.131 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)CCC2(O)CCC2)C[C@H]1C ZINC000905934778 627049568 /nfs/dbraw/zinc/04/95/68/627049568.db2.gz RIBYKAIPSITIAK-OWCLPIDISA-N 2 0 298.471 1.847 10 0 CDAERP CC[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](C)C1 ZINC000910281159 628956120 /nfs/dbraw/zinc/95/61/20/628956120.db2.gz VLEJLXAFPRUJGW-KKUMJFAQSA-N 2 0 281.444 1.659 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@]2(C)C[NH+]3CCC2CC3)C1 ZINC000912374821 629970893 /nfs/dbraw/zinc/97/08/93/629970893.db2.gz DDBNULLRAHIJOI-PBHICJAKSA-N 2 0 293.455 1.709 10 0 CDAERP C[N@H+](CC(=O)N[C@@]1(C)C[NH+]2CCC1CC2)C1CCC1 ZINC000912375217 629972932 /nfs/dbraw/zinc/97/29/32/629972932.db2.gz ULGHMGHMKLOSRZ-HNNXBMFYSA-N 2 0 265.401 1.071 10 0 CDAERP CC[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H](C)[NH2+]1 ZINC000912731417 630184002 /nfs/dbraw/zinc/18/40/02/630184002.db2.gz VWPSENPOAGLNED-NWDGAFQWSA-N 2 0 253.390 1.070 10 0 CDAERP C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000912802628 630224360 /nfs/dbraw/zinc/22/43/60/630224360.db2.gz FFONZRGCNAADBL-BZUAXINKSA-N 2 0 295.471 1.907 10 0 CDAERP O=C(c1ccc2c[nH+]cn2c1)N1CCC([NH+]2CCC2)CC1 ZINC000912872981 630258643 /nfs/dbraw/zinc/25/86/43/630258643.db2.gz DMJXMKWJEFFFOV-UHFFFAOYSA-N 2 0 284.363 1.645 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@H]([NH+]3CCC3)C2)C1 ZINC000912900613 630269455 /nfs/dbraw/zinc/26/94/55/630269455.db2.gz OPQHCZIPJILJIY-HUUCEWRRSA-N 2 0 279.428 1.415 10 0 CDAERP CC[C@@H](C(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1)[NH+](C)C ZINC000913269256 630425463 /nfs/dbraw/zinc/42/54/63/630425463.db2.gz ATDSRRJNLRIGFL-QEJZJMRPSA-N 2 0 267.417 1.127 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]C[C@H](O)C2CC2)C1 ZINC000840745871 630692946 /nfs/dbraw/zinc/69/29/46/630692946.db2.gz PYTIFPZRWOEWET-GUTXKFCHSA-N 2 0 254.418 1.715 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CC[NH+](CCCCCO)CC1 ZINC000913691257 630735070 /nfs/dbraw/zinc/73/50/70/630735070.db2.gz QCZAKNDKJLINKD-UHFFFAOYSA-N 2 0 299.459 1.025 10 0 CDAERP CCC[N@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001691000685 1158524480 /nfs/dbraw/zinc/52/44/80/1158524480.db2.gz OKBLWUCFAXIHFO-CQSZACIVSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001671342320 1158634985 /nfs/dbraw/zinc/63/49/85/1158634985.db2.gz HDUAKSAMKFHQPW-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC ZINC001698824159 1159055208 /nfs/dbraw/zinc/05/52/08/1159055208.db2.gz JMOZBVXAFRWBPA-STQMWFEESA-N 2 0 255.406 1.317 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001691097715 1158907576 /nfs/dbraw/zinc/90/75/76/1158907576.db2.gz QXNRAEWDKRWWHD-UONOGXRCSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001625876095 1159124070 /nfs/dbraw/zinc/12/40/70/1159124070.db2.gz QEUMJAYIFJWQIK-MCIONIFRSA-N 2 0 267.417 1.317 10 0 CDAERP CC[NH+](CC)C1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000384462497 1160309704 /nfs/dbraw/zinc/30/97/04/1160309704.db2.gz LACCTWQSQXNIQA-OAHLLOKOSA-N 2 0 253.434 1.792 10 0 CDAERP CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CCC1CC1)[NH+](C)C ZINC001483934741 1161242759 /nfs/dbraw/zinc/24/27/59/1161242759.db2.gz PVZAOAVKHLDMPS-CVEARBPZSA-N 2 0 295.471 1.953 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC)[C@H]2C1 ZINC001410927798 1161964269 /nfs/dbraw/zinc/96/42/69/1161964269.db2.gz PHWIQEOEEKOYJU-JYJNAYRXSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N(C)CCCC[NH+](C)C)C1 ZINC001634203784 1166479747 /nfs/dbraw/zinc/47/97/47/1166479747.db2.gz NFPITRAQRHZNGQ-HNNXBMFYSA-N 2 0 283.460 1.907 10 0 CDAERP CCN1CC[C@H]1C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001636346602 1166670288 /nfs/dbraw/zinc/67/02/88/1166670288.db2.gz IDIWQNROPOJHSO-PIGZVRMJSA-N 2 0 265.401 1.164 10 0 CDAERP CC[NH2+][C@H]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001566863248 1168448870 /nfs/dbraw/zinc/44/88/70/1168448870.db2.gz FHTRLVPWQZWHON-OKILXGFUSA-N 2 0 267.417 1.509 10 0 CDAERP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001647283682 1168522441 /nfs/dbraw/zinc/52/24/41/1168522441.db2.gz YHPCRDRDQVWMHA-ZNMIVQPWSA-N 2 0 281.444 1.741 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CC1CC1 ZINC001567081906 1168550875 /nfs/dbraw/zinc/55/08/75/1168550875.db2.gz DLSFCGWJCJUJHY-GXTWGEPZSA-N 2 0 267.417 1.365 10 0 CDAERP C[NH+]1C[C@@]2(C)CN(C(=O)C34CCC[NH+]3CCC4)C[C@]2(C)C1 ZINC001647427469 1168681389 /nfs/dbraw/zinc/68/13/89/1168681389.db2.gz FWNSHOVMZBOEJR-HOTGVXAUSA-N 2 0 291.439 1.415 10 0 CDAERP CC[C@@H](F)C[NH2+]CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001567590702 1168870552 /nfs/dbraw/zinc/87/05/52/1168870552.db2.gz JDMLBINSSLQMIP-QWHCGFSZSA-N 2 0 273.396 1.124 10 0 CDAERP CCN(C(=O)NC[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](C)C1 ZINC001649309253 1169185751 /nfs/dbraw/zinc/18/57/51/1169185751.db2.gz SHKFPPOYPQYJDB-UONOGXRCSA-N 2 0 282.432 1.206 10 0 CDAERP CC[NH2+]CCN(CC)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001568790351 1169477705 /nfs/dbraw/zinc/47/77/05/1169477705.db2.gz DQZSSCDKXNYGEB-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP C[C@H](F)CC[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001568905715 1169544278 /nfs/dbraw/zinc/54/42/78/1169544278.db2.gz DICQXRLDUPRGCK-VMPYYGSESA-N 2 0 299.434 1.727 10 0 CDAERP CC[C@@H](F)C[NH2+]C/C=C/CNC(=O)C[NH+]1CCCC1 ZINC001568963963 1169566863 /nfs/dbraw/zinc/56/68/63/1169566863.db2.gz LQQHNJZLESOGPQ-ITDFMYJTSA-N 2 0 271.380 1.092 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CCC[NH2+]CC1CC1 ZINC001569268644 1169742564 /nfs/dbraw/zinc/74/25/64/1169742564.db2.gz HSNCPDPCBGPURL-ZIAGYGMSSA-N 2 0 281.444 1.707 10 0 CDAERP CC/C=C/CC[NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001569267346 1169742662 /nfs/dbraw/zinc/74/26/62/1169742662.db2.gz RYFMJNKYDUMJNF-NFAHFFEMSA-N 2 0 281.444 1.733 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCCF ZINC001570088720 1170076029 /nfs/dbraw/zinc/07/60/29/1170076029.db2.gz HNJNPPLWGHGDGL-ZIAGYGMSSA-N 2 0 285.407 1.411 10 0 CDAERP CC[NH2+]CC1(NC(=O)CCC[NH+](C)C)CCCCC1 ZINC001570801400 1170281877 /nfs/dbraw/zinc/28/18/77/1170281877.db2.gz SNUFQGPWDRIWGD-UHFFFAOYSA-N 2 0 269.433 1.757 10 0 CDAERP CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001666110777 1173111491 /nfs/dbraw/zinc/11/14/91/1173111491.db2.gz KIFBIDUVGATUAJ-GDBMZVCRSA-N 2 0 293.455 1.566 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]C/C=C/Cl ZINC001666667591 1173169312 /nfs/dbraw/zinc/16/93/12/1173169312.db2.gz UNVAXPMYKKLRGC-WEPHUFDCSA-N 2 0 273.808 1.033 10 0 CDAERP CC[NH2+]CCN(CC)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001668516818 1173420880 /nfs/dbraw/zinc/42/08/80/1173420880.db2.gz DOZGZPDRXMSTHG-UHFFFAOYSA-N 2 0 255.406 1.319 10 0 CDAERP C[C@@H](C(=O)N(C)CCC[NH2+]CCF)[NH+]1CCCCCC1 ZINC001670270894 1173668465 /nfs/dbraw/zinc/66/84/65/1173668465.db2.gz AZQOMZVOEYBHPV-AWEZNQCLSA-N 2 0 287.423 1.659 10 0 CDAERP CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001690211741 1175405792 /nfs/dbraw/zinc/40/57/92/1175405792.db2.gz MGCHNUJOLXRTGN-BETUJISGSA-N 2 0 253.390 1.023 10 0 CDAERP C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCCF)C1)[NH+]1CCCCCC1 ZINC001690358385 1175448392 /nfs/dbraw/zinc/44/83/92/1175448392.db2.gz ZBRBWAQFCHDIRB-SOUVJXGZSA-N 2 0 299.434 1.847 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CCF)CC[N@@H+]1C ZINC001692069740 1175672089 /nfs/dbraw/zinc/67/20/89/1175672089.db2.gz GSPXESJYYMXIMA-APIJFGDWSA-N 2 0 299.434 1.513 10 0 CDAERP CCC[NH2+]CC[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001698681805 1175894175 /nfs/dbraw/zinc/89/41/75/1175894175.db2.gz FJCKHTISPNMEBE-HOTGVXAUSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001698829737 1175953316 /nfs/dbraw/zinc/95/33/16/1175953316.db2.gz ZQSZVSNDRZNKBW-CQSZACIVSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)C[C@@H](C[NH2+]CCCF)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001698881018 1175975865 /nfs/dbraw/zinc/97/58/65/1175975865.db2.gz XLDSTIVCPVYNIR-KBPBESRZSA-N 2 0 287.423 1.418 10 0 CDAERP C[C@H](CC[NH2+]CC1CCC1)NC(=O)C[NH+]1CCCC1 ZINC001699164584 1176119486 /nfs/dbraw/zinc/11/94/86/1176119486.db2.gz MHNANJOQICKXKU-CYBMUJFWSA-N 2 0 267.417 1.367 10 0 CDAERP CC[C@H](F)C[NH2+]C/C=C/CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001699257847 1176184248 /nfs/dbraw/zinc/18/42/48/1176184248.db2.gz FCBCFXITZZYWOA-NMONBKHDSA-N 2 0 297.418 1.338 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001699358708 1176311861 /nfs/dbraw/zinc/31/18/61/1176311861.db2.gz KLBPIWYTWITYHC-CABCVRRESA-N 2 0 281.444 1.920 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]CC[C@@H](C)F)[NH+](C)C ZINC001699378940 1176336393 /nfs/dbraw/zinc/33/63/93/1176336393.db2.gz TUQJVRXWTHGLFY-JHJVBQTASA-N 2 0 275.412 1.415 10 0 CDAERP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001699440853 1176404719 /nfs/dbraw/zinc/40/47/19/1176404719.db2.gz GWZZDKVHGGLVDZ-TZMCWYRMSA-N 2 0 267.417 1.173 10 0 CDAERP CCC[NH2+]CCCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001699516809 1176457635 /nfs/dbraw/zinc/45/76/35/1176457635.db2.gz XJTJNYIWRBIFNI-UHFFFAOYSA-N 2 0 281.444 1.711 10 0 CDAERP Cc1c(C(=O)N(C)CCC[NH2+]CCF)ccc2c[nH+]cn21 ZINC001699520205 1176458874 /nfs/dbraw/zinc/45/88/74/1176458874.db2.gz BABIMZLWEBCHEL-UHFFFAOYSA-N 2 0 292.358 1.664 10 0 CDAERP CC(C)=CC[NH2+]CCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001699534093 1176465556 /nfs/dbraw/zinc/46/55/56/1176465556.db2.gz SNMRDXCNJIMFEM-OAHLLOKOSA-N 2 0 281.444 1.733 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCC1CC1 ZINC001700777920 1177127466 /nfs/dbraw/zinc/12/74/66/1177127466.db2.gz SISMTIFMKHEVOT-GXTWGEPZSA-N 2 0 267.417 1.175 10 0 CDAERP CCCC[NH2+][C@@H](CO)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001700808407 1177142466 /nfs/dbraw/zinc/14/24/66/1177142466.db2.gz MGULORLXJOBPJQ-LSDHHAIUSA-N 2 0 299.459 1.118 10 0 CDAERP C[C@H]1[C@H]([NH2+]CCF)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC001700859649 1177169791 /nfs/dbraw/zinc/16/97/91/1177169791.db2.gz OWPYTSNUDTXZCW-LSDHHAIUSA-N 2 0 299.434 1.801 10 0 CDAERP CC[NH+]1CCC([C@@H](C)NC(=O)CCCC[NH+](C)C)CC1 ZINC001701008465 1177237602 /nfs/dbraw/zinc/23/76/02/1177237602.db2.gz NQQFGMAIEHXWMQ-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H](C[NH2+]CCF)C1 ZINC001707154475 1177958738 /nfs/dbraw/zinc/95/87/38/1177958738.db2.gz GUVWSNMLXOBWNG-HZSPNIEDSA-N 2 0 285.407 1.267 10 0 CDAERP CCCC[N@H+](C)CCCNC(=O)C[NH+]1CCCC1 ZINC001707422385 1178034447 /nfs/dbraw/zinc/03/44/47/1178034447.db2.gz CLINIEVGSOZSKC-UHFFFAOYSA-N 2 0 255.406 1.320 10 0 CDAERP CCCC[NH2+][C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001713108940 1178372177 /nfs/dbraw/zinc/37/21/77/1178372177.db2.gz OHBDSSGFLRUQMD-CVEARBPZSA-N 2 0 293.455 1.613 10 0 CDAERP CC/C=C/CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001713205502 1178430757 /nfs/dbraw/zinc/43/07/57/1178430757.db2.gz MDJYZOJQGTYOFC-TXSMSCQPSA-N 2 0 293.455 1.921 10 0 CDAERP CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001713208769 1178431173 /nfs/dbraw/zinc/43/11/73/1178431173.db2.gz YPDMFBZXAHFCMO-HZSPNIEDSA-N 2 0 267.417 1.364 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)[NH2+]CCC(C)C)[NH+](C)C ZINC001713319235 1178494843 /nfs/dbraw/zinc/49/48/43/1178494843.db2.gz WRSYOGGNGMLSFO-QWHCGFSZSA-N 2 0 257.422 1.467 10 0 CDAERP C[NH+]1CCC(C(=O)N[C@H]2CCC[C@@H]([NH2+]CCCF)C2)CC1 ZINC001713379439 1178528980 /nfs/dbraw/zinc/52/89/80/1178528980.db2.gz RKXVEBMGGQZPKA-CABCVRRESA-N 2 0 299.434 1.705 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001713441697 1178560993 /nfs/dbraw/zinc/56/09/93/1178560993.db2.gz VAXRVZQYCVLKIS-HUUCEWRRSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)OCCC[N@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001713465165 1178582030 /nfs/dbraw/zinc/58/20/30/1178582030.db2.gz HBKOYPVJGXMNQE-UHFFFAOYSA-N 2 0 299.459 1.191 10 0 CDAERP CN(CC[NH2+]C/C=C/Cl)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001713643245 1178693302 /nfs/dbraw/zinc/69/33/02/1178693302.db2.gz FHBDHFGKGMCCOI-RFHLNLMPSA-N 2 0 299.846 1.804 10 0 CDAERP CN(CC[NH2+]CC1CCCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001713663348 1178701432 /nfs/dbraw/zinc/70/14/32/1178701432.db2.gz DLUBNGJMPOOGHD-AWEZNQCLSA-N 2 0 267.417 1.176 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CCCF)C1CC1 ZINC001713866745 1178801503 /nfs/dbraw/zinc/80/15/03/1178801503.db2.gz UCVJTCBXTNGEDH-HUUCEWRRSA-N 2 0 299.434 1.703 10 0 CDAERP COCCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001713944298 1178873898 /nfs/dbraw/zinc/87/38/98/1178873898.db2.gz YETPXZFCEFBCCO-KKUMJFAQSA-N 2 0 297.443 1.134 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001714017822 1178929906 /nfs/dbraw/zinc/92/99/06/1178929906.db2.gz GJMAFBNFVSOQEB-XDQVBPFNSA-N 2 0 267.417 1.221 10 0 CDAERP CC(C)=CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001714159975 1178995496 /nfs/dbraw/zinc/99/54/96/1178995496.db2.gz OGKQXIANAXCMBN-DOTOQJQBSA-N 2 0 293.455 1.921 10 0 CDAERP CN(CC[NH2+]Cc1cccc(F)c1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001714690378 1179332774 /nfs/dbraw/zinc/33/27/74/1179332774.db2.gz KFDFGYCDMGAWLM-HNNXBMFYSA-N 2 0 293.386 1.468 10 0 CDAERP CN(CC[NH2+]CCC1CC1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001714768348 1179387458 /nfs/dbraw/zinc/38/74/58/1179387458.db2.gz SCOJTSAJACBUHD-CVEARBPZSA-N 2 0 293.455 1.851 10 0 CDAERP C[NH+](C)CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCF ZINC001714850704 1179419576 /nfs/dbraw/zinc/41/95/76/1179419576.db2.gz RCBUGYIYXJKFFY-GASCZTMLSA-N 2 0 299.434 1.753 10 0 CDAERP CCOCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001715312628 1179618399 /nfs/dbraw/zinc/61/83/99/1179618399.db2.gz CAFZMSDRBOFRLA-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[NH2+]CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001715683734 1179763122 /nfs/dbraw/zinc/76/31/22/1179763122.db2.gz OSNGGVMFTQEILW-OLZOCXBDSA-N 2 0 255.406 1.223 10 0 CDAERP CCN(CC[NH2+]Cc1cc(C)no1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001715724554 1179779648 /nfs/dbraw/zinc/77/96/48/1179779648.db2.gz VPSQJBTUDDZMDR-AWEZNQCLSA-N 2 0 294.399 1.015 10 0 CDAERP CCCC[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)C(C)C ZINC001715730208 1179782690 /nfs/dbraw/zinc/78/26/90/1179782690.db2.gz PZNSSTFBCKAHRV-CQSZACIVSA-N 2 0 269.433 1.613 10 0 CDAERP C[NH+](C)C1(C(=O)NC/C=C/C[NH2+]C/C=C/Cl)CCC1 ZINC001715822695 1179847509 /nfs/dbraw/zinc/84/75/09/1179847509.db2.gz CPEZIQSFZRRKCN-JAFPNSLJSA-N 2 0 285.819 1.485 10 0 CDAERP C[C@H](CC[NH2+]C/C=C\Cl)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001716125668 1180059599 /nfs/dbraw/zinc/05/95/99/1180059599.db2.gz FDYYOSQKSHRDIR-HIMAVIEDSA-N 2 0 273.808 1.318 10 0 CDAERP CCN(CC[NH2+]CCOC)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001716243351 1180116844 /nfs/dbraw/zinc/11/68/44/1180116844.db2.gz BAKKWCHCZPQVEW-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP C[NH+]1CCC(CC(=O)N[C@@H](C[NH2+]CCF)C2CC2)CC1 ZINC001716624105 1180311775 /nfs/dbraw/zinc/31/17/75/1180311775.db2.gz PNSSEUNKKKVVCX-AWEZNQCLSA-N 2 0 285.407 1.172 10 0 CDAERP CCCC[NH2+]C[C@@]1(C)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001716880986 1180451555 /nfs/dbraw/zinc/45/15/55/1180451555.db2.gz YKVHEQRATNFXBO-NVXWUHKLSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)=CC[N@H+]1CCCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001717629835 1180763510 /nfs/dbraw/zinc/76/35/10/1180763510.db2.gz XYLTWNCUUKCRLY-UHFFFAOYSA-N 2 0 293.455 1.829 10 0 CDAERP CC(C)N(CC[N@H+](C)C(C)C)C(=O)CC[NH+](C)C ZINC001717949911 1180943415 /nfs/dbraw/zinc/94/34/15/1180943415.db2.gz FFXULLZCGKIVFQ-UHFFFAOYSA-N 2 0 257.422 1.515 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CCC[NH2+]CCC2CC2)C1 ZINC001723123688 1181519760 /nfs/dbraw/zinc/51/97/60/1181519760.db2.gz PEPZFQKVBBYBTF-CQSZACIVSA-N 2 0 281.444 1.566 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCCOC)CC1 ZINC001723594435 1181590270 /nfs/dbraw/zinc/59/02/70/1181590270.db2.gz CUZFIQZCQAVMSS-AWEZNQCLSA-N 2 0 297.443 1.136 10 0 CDAERP CC[NH2+]CC1CC(NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001725070667 1181844733 /nfs/dbraw/zinc/84/47/33/1181844733.db2.gz KFWGOENVTLUHNO-RUXDESIVSA-N 2 0 269.433 1.611 10 0 CDAERP CCC[NH2+]C[C@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001725371883 1181978157 /nfs/dbraw/zinc/97/81/57/1181978157.db2.gz IQLZQDYMIJAKDD-SHTZXODSSA-N 2 0 281.444 1.757 10 0 CDAERP CC(C)(C)[C@H](C[NH2+]CCCF)NC(=O)C[NH+]1CCCC1 ZINC001725758645 1182124038 /nfs/dbraw/zinc/12/40/38/1182124038.db2.gz VNMPQGNJPSHZNF-ZDUSSCGKSA-N 2 0 287.423 1.562 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N(C)C1CC([NH2+]CCC[C@H](C)O)C1 ZINC001725789474 1182132265 /nfs/dbraw/zinc/13/22/65/1182132265.db2.gz JSGDGSKSCRBGNT-NFOMZHRRSA-N 2 0 299.459 1.067 10 0 CDAERP CC(C)C[NH2+]CCOCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001725797662 1182133067 /nfs/dbraw/zinc/13/30/67/1182133067.db2.gz HTHLEFJKDIMOKH-HUUCEWRRSA-N 2 0 299.459 1.047 10 0 CDAERP CCC(CC)C[N@H+](C)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001731278088 1182291633 /nfs/dbraw/zinc/29/16/33/1182291633.db2.gz OLDUPHOAJGAXSD-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001731282856 1182293782 /nfs/dbraw/zinc/29/37/82/1182293782.db2.gz LLOPFQFWUMZUIV-QWHCGFSZSA-N 2 0 273.396 1.124 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCCF)C2)C1 ZINC001731490766 1182417679 /nfs/dbraw/zinc/41/76/79/1182417679.db2.gz SCFDXHFOXICLKP-KBXIAJHMSA-N 2 0 299.434 1.703 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001731636676 1182494031 /nfs/dbraw/zinc/49/40/31/1182494031.db2.gz GXXCIWSUTAOUIL-CYBMUJFWSA-N 2 0 253.390 1.143 10 0 CDAERP CC(C)[NH2+][C@H](C)CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001731728472 1182536759 /nfs/dbraw/zinc/53/67/59/1182536759.db2.gz AEQAMQOWKNOQHU-ZIAGYGMSSA-N 2 0 269.433 1.754 10 0 CDAERP CCCCC[N@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001731792246 1182584769 /nfs/dbraw/zinc/58/47/69/1182584769.db2.gz RGYPKQODEOKRBT-UHFFFAOYSA-N 2 0 267.417 1.320 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCC(C)C ZINC001731916918 1182678708 /nfs/dbraw/zinc/67/87/08/1182678708.db2.gz GFNTYRRWXBRJDN-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@@H](F)C[NH2+]CCN(C)C(=O)C[N@H+](C)C(C)C ZINC001731987594 1182715149 /nfs/dbraw/zinc/71/51/49/1182715149.db2.gz ISOGFBPIFVILKF-GFCCVEGCSA-N 2 0 261.385 1.123 10 0 CDAERP CC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](CC)C1)[NH+](CC)CC ZINC001732172128 1182831730 /nfs/dbraw/zinc/83/17/30/1182831730.db2.gz IAABEUVCSDNDPE-ZIAGYGMSSA-N 2 0 269.433 1.659 10 0 CDAERP CCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001732184698 1182839244 /nfs/dbraw/zinc/83/92/44/1182839244.db2.gz COQFKTUCHCWALD-AWEZNQCLSA-N 2 0 269.433 1.517 10 0 CDAERP CC(C)[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001732356518 1182923322 /nfs/dbraw/zinc/92/33/22/1182923322.db2.gz MBRBAGVJCCLVNG-IHRRRGAJSA-N 2 0 269.433 1.467 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]C(C)C ZINC001732461436 1182977355 /nfs/dbraw/zinc/97/73/55/1182977355.db2.gz WNOCRDWPPWXTQV-ZIAGYGMSSA-N 2 0 269.433 1.706 10 0 CDAERP CC(C)[NH2+]C/C=C\CNC(=O)CCC[NH+]1CCCC1 ZINC001732941722 1183192607 /nfs/dbraw/zinc/19/26/07/1183192607.db2.gz WTTNZOYKZOFROX-ARJAWSKDSA-N 2 0 267.417 1.533 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC/C=C\C[NH2+]C[C@@H]1CCCOC1 ZINC001732941971 1183193392 /nfs/dbraw/zinc/19/33/92/1183193392.db2.gz IHTFTTWSYVBJQT-XVWMLYKFSA-N 2 0 297.443 1.015 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)C[NH2+]CCF)C1 ZINC001733009958 1183236495 /nfs/dbraw/zinc/23/64/95/1183236495.db2.gz OSTAJISJNQIIGN-STQMWFEESA-N 2 0 273.396 1.172 10 0 CDAERP CCCCCC[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001733022352 1183242338 /nfs/dbraw/zinc/24/23/38/1183242338.db2.gz DGADBECCZRKQDD-KBPBESRZSA-N 2 0 269.433 1.613 10 0 CDAERP CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001733039138 1183255912 /nfs/dbraw/zinc/25/59/12/1183255912.db2.gz SWZZAOHTKGJLLD-STQMWFEESA-N 2 0 255.406 1.316 10 0 CDAERP CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001733039135 1183256700 /nfs/dbraw/zinc/25/67/00/1183256700.db2.gz SWZZAOHTKGJLLD-CHWSQXEVSA-N 2 0 255.406 1.316 10 0 CDAERP CCC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001733142867 1183305257 /nfs/dbraw/zinc/30/52/57/1183305257.db2.gz JGRONOFGFBUKGM-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP CCC(CC)C[NH+]1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001733312457 1183391677 /nfs/dbraw/zinc/39/16/77/1183391677.db2.gz FJXGBSBBGSNWSE-UHFFFAOYSA-N 2 0 269.433 1.517 10 0 CDAERP CC(C)=CC[NH2+]C1(CNC(=O)C[N@@H+](C)C(C)C)CCC1 ZINC001733728519 1183511384 /nfs/dbraw/zinc/51/13/84/1183511384.db2.gz ZEVUYTCDRHCSPN-UHFFFAOYSA-N 2 0 281.444 1.921 10 0 CDAERP CCC[NH2+]CCC[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001734240672 1183702067 /nfs/dbraw/zinc/70/20/67/1183702067.db2.gz LDMIPSHQAALLAV-CYBMUJFWSA-N 2 0 269.433 1.755 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]CCC1CC1 ZINC001734355427 1183744541 /nfs/dbraw/zinc/74/45/41/1183744541.db2.gz CCZYSGXAEUIUHB-ZDUSSCGKSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)[NH2+][C@H]1C[C@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001734431356 1183777613 /nfs/dbraw/zinc/77/76/13/1183777613.db2.gz YYHXZKPCTDNCFL-KBPBESRZSA-N 2 0 269.433 1.706 10 0 CDAERP CC[N@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)CC(C)(C)O)c1 ZINC000872198848 1165393575 /nfs/dbraw/zinc/39/35/75/1165393575.db2.gz DWHVNDNSMRRLKH-INIZCTEOSA-N 2 0 294.439 1.750 10 0 CDAERP C[NH+](C)[C@@H]1CCC[N@H+](CC23CC(C)(C2)OC3)CC1 ZINC001617198163 1165591271 /nfs/dbraw/zinc/59/12/71/1165591271.db2.gz JANBRUFXTTUINJ-WLYUNCDWSA-N 2 0 252.402 1.972 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)CC(C)(C)O)C1 ZINC000872203403 828888637 /nfs/dbraw/zinc/88/86/37/828888637.db2.gz XRBYDJSSJSYUER-KGLIPLIRSA-N 2 0 272.433 1.076 10 0 CDAERP C[C@@H](C(=O)N1CCCCCC1)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923499644 829161906 /nfs/dbraw/zinc/16/19/06/829161906.db2.gz MLQXPJWGXUEUHA-QLFBSQMISA-N 2 0 281.444 1.694 10 0 CDAERP CO[C@]1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCSC1 ZINC000719229544 828821056 /nfs/dbraw/zinc/82/10/56/828821056.db2.gz PJALHRHIPJLYGA-MCIONIFRSA-N 2 0 270.442 1.725 10 0 CDAERP C[C@@H]1CN(C(=[NH2+])NCC2([NH+](C)C)CCCCCC2)CCO1 ZINC000848982258 828833512 /nfs/dbraw/zinc/83/35/12/828833512.db2.gz UVBSFKJRJYIYNO-CQSZACIVSA-N 2 0 296.459 1.886 10 0 CDAERP COC(=O)CC1(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)CC1 ZINC000923492293 828825839 /nfs/dbraw/zinc/82/58/39/828825839.db2.gz BIZIZYIWAHEQGV-RYUDHWBXSA-N 2 0 254.374 1.246 10 0 CDAERP CC[C@H](C(=O)N[C@H](CC[NH+](C)C)c1cccnc1)[NH+](C)C ZINC000928829652 832304874 /nfs/dbraw/zinc/30/48/74/832304874.db2.gz LAXJCISMJXXAQV-HUUCEWRRSA-N 2 0 292.427 1.531 10 0 CDAERP C[C@H](N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)[C@H]1CCC[NH2+]1 ZINC000720479925 833057757 /nfs/dbraw/zinc/05/77/57/833057757.db2.gz CLDUPHWHZOXHEV-DGAVXFQQSA-N 2 0 269.458 1.296 10 0 CDAERP CC1(C)C[C@H](O)C[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000866702628 833236086 /nfs/dbraw/zinc/23/60/86/833236086.db2.gz DFBWSWQRGVDXPF-AWEZNQCLSA-N 2 0 254.418 1.859 10 0 CDAERP COCCC[NH+]1CCC(N[C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925578108 833264573 /nfs/dbraw/zinc/26/45/73/833264573.db2.gz SFBKNXAJGGNBFL-MRXNPFEDSA-N 2 0 295.471 1.752 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000925575419 833267249 /nfs/dbraw/zinc/26/72/49/833267249.db2.gz GNUMRIOGOAARGL-GOZOTGFRSA-N 2 0 296.480 1.971 10 0 CDAERP CN1C[C@H]([NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CCC1=O ZINC000925509799 833267992 /nfs/dbraw/zinc/26/79/92/833267992.db2.gz QCFAWKMUSPQADU-UTUOFQBUSA-N 2 0 253.390 1.103 10 0 CDAERP CCN(CC)C(=O)CN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858109072 833306928 /nfs/dbraw/zinc/30/69/28/833306928.db2.gz MFCOBTPIJPPUSS-GFCCVEGCSA-N 2 0 255.406 1.317 10 0 CDAERP CC(C)[C@@H](C[NH2+][C@H]1COCC1(C)C)N1CC[NH+](C)CC1 ZINC000313074687 828853107 /nfs/dbraw/zinc/85/31/07/828853107.db2.gz IFZMLMSRQZXCMN-CABCVRRESA-N 2 0 283.460 1.273 10 0 CDAERP CC[NH+](CC)Cc1ccc(C(=O)NCC2CC([NH3+])C2)o1 ZINC000715086337 828869591 /nfs/dbraw/zinc/86/95/91/828869591.db2.gz SJTUXCBUWBBMOA-UHFFFAOYSA-N 2 0 279.384 1.589 10 0 CDAERP [NH3+]Cc1ccc(-c2noc([C@H]3C[NH2+]CCC3(F)F)n2)cc1 ZINC000647158836 828876969 /nfs/dbraw/zinc/87/69/69/828876969.db2.gz LPLZQSOFKQIURI-LLVKDONJSA-N 2 0 294.305 1.908 10 0 CDAERP CO[C@H]1C[C@@H](C[NH+]2CCC([NH2+]CC3CC3)CC2)C1 ZINC000721941102 828877688 /nfs/dbraw/zinc/87/76/88/828877688.db2.gz FUQBYCRKEIGPLN-OTVXOJSOSA-N 2 0 252.402 1.875 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)CC[N@@H+]1C ZINC000926964514 828878721 /nfs/dbraw/zinc/87/87/21/828878721.db2.gz RURYCJGBALFPNH-WOPDTQHZSA-N 2 0 281.366 1.941 10 0 CDAERP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000925884012 833327771 /nfs/dbraw/zinc/32/77/71/833327771.db2.gz PIJBGQJXTXDJTQ-VQHPVUNQSA-N 3 0 273.424 1.905 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000926937382 828883602 /nfs/dbraw/zinc/88/36/02/828883602.db2.gz RBCQAZRDDNKYFN-LYHXPWBRSA-N 2 0 262.397 1.507 10 0 CDAERP C[N@@H+]1CC[C@@H]2CN(CCCCCCC[NH3+])CC[C@H]21 ZINC000866703485 833340936 /nfs/dbraw/zinc/34/09/36/833340936.db2.gz JTFDFFKQYVLTPA-HUUCEWRRSA-N 2 0 253.434 1.922 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCNC(=O)c2ccco2)C1 ZINC000925519553 829062744 /nfs/dbraw/zinc/06/27/44/829062744.db2.gz SSYNRUIVBJZDQE-NWDGAFQWSA-N 2 0 279.384 1.505 10 0 CDAERP C[NH+](C)Cc1ccc(NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)cc1F ZINC000872285670 829073078 /nfs/dbraw/zinc/07/30/78/829073078.db2.gz BZQCXOQIWHNSLH-WQGACYEGSA-N 2 0 291.370 1.953 10 0 CDAERP COCC1(C[NH2+][C@H]2CCCc3n[nH]cc32)CC[NH2+]CC1 ZINC000423407788 833362096 /nfs/dbraw/zinc/36/20/96/833362096.db2.gz NFQIFRVGJOULOD-ZDUSSCGKSA-N 2 0 278.400 1.393 10 0 CDAERP C[C@@H]1C[N@H+](CCCOCC(F)(F)F)CC[C@@H]1C[NH3+] ZINC000122304733 829109921 /nfs/dbraw/zinc/10/99/21/829109921.db2.gz SSVPISXOJGDCCH-GHMZBOCLSA-N 2 0 268.323 1.872 10 0 CDAERP Cc1ccccc1[C@H](O)C[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000819034831 829141297 /nfs/dbraw/zinc/14/12/97/829141297.db2.gz SARFRPRTXPLUKO-NVXWUHKLSA-N 2 0 291.439 1.254 10 0 CDAERP CCC(C)(C)[NH+]1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000864059499 829180082 /nfs/dbraw/zinc/18/00/82/829180082.db2.gz KEJLAVNBYHERJO-UHFFFAOYSA-N 2 0 279.428 1.415 10 0 CDAERP CN(C(=O)[C@@H]1CCCCC[C@@H]1[NH3+])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000872283670 833384582 /nfs/dbraw/zinc/38/45/82/833384582.db2.gz MCLKEUIFRGKIJY-ZNMIVQPWSA-N 2 0 279.428 1.589 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000852871002 829262723 /nfs/dbraw/zinc/26/27/23/829262723.db2.gz JLDIKILKJCQKPN-ZIAGYGMSSA-N 2 0 279.428 1.650 10 0 CDAERP [NH3+]CCCCCC[NH2+]C1(c2ncccn2)CCOCC1 ZINC000923552551 829307173 /nfs/dbraw/zinc/30/71/73/829307173.db2.gz CZHSKZJDWKDXCJ-UHFFFAOYSA-N 2 0 278.400 1.591 10 0 CDAERP C[C@@H](CNC(=[NH2+])N[C@H]1C[C@H]1C)[N@@H+]1CCCC[C@H]1C ZINC000864453298 833394867 /nfs/dbraw/zinc/39/48/67/833394867.db2.gz MGJVZOIANMHHOU-NDBYEHHHSA-N 2 0 252.406 1.772 10 0 CDAERP CCOC(=O)CC1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923369864 829375490 /nfs/dbraw/zinc/37/54/90/829375490.db2.gz QJUNDKPKFBPXSS-CQSZACIVSA-N 2 0 296.411 1.030 10 0 CDAERP Cn1ncc(CCC[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)n1 ZINC000925678002 833404728 /nfs/dbraw/zinc/40/47/28/833404728.db2.gz RZGCDUCEZZXQPA-IHRRRGAJSA-N 2 0 277.416 1.114 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000925779511 829428730 /nfs/dbraw/zinc/42/87/30/829428730.db2.gz JYQWPKYJIRDIDI-UXXRCYHCSA-N 2 0 251.418 1.495 10 0 CDAERP C[C@H]1C[C@@H]1NC(=[NH2+])NCc1ccccc1Cn1ccnc1 ZINC000864450428 829467549 /nfs/dbraw/zinc/46/75/49/829467549.db2.gz MTGOFYJUBFQCGI-WFASDCNBSA-N 2 0 283.379 1.954 10 0 CDAERP O[C@H](C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)C1CC1 ZINC000838863240 833411691 /nfs/dbraw/zinc/41/16/91/833411691.db2.gz GFOFUXIWBSSKFE-MRXNPFEDSA-N 2 0 282.428 1.334 10 0 CDAERP CC(C)CC[NH+]1CCC([NH2+]C[C@H](O)[C@@H]2CCCO2)CC1 ZINC000926748989 829487627 /nfs/dbraw/zinc/48/76/27/829487627.db2.gz JLSSSWBSTCLZRW-HOTGVXAUSA-N 2 0 284.444 1.626 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CCN(CC(F)F)CC1 ZINC000924867810 829602290 /nfs/dbraw/zinc/60/22/90/829602290.db2.gz HFNUIOCLOKWIRJ-ODOQXGPZSA-N 2 0 287.398 1.646 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCC(OC)OC)C[C@H]1C ZINC000851796452 829735985 /nfs/dbraw/zinc/73/59/85/829735985.db2.gz FHISWNZLBSDCJM-OLZOCXBDSA-N 2 0 258.406 1.800 10 0 CDAERP CN(C[C@@H]1CCC[N@@H+]1C)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000926382518 829767953 /nfs/dbraw/zinc/76/79/53/829767953.db2.gz LMYISYHGECMVBT-GJZGRUSLSA-N 2 0 266.433 1.145 10 0 CDAERP C[C@@H]1C[N@H+](CCCOCC(F)(F)F)CC[C@H]1C[NH3+] ZINC000251863882 829784113 /nfs/dbraw/zinc/78/41/13/829784113.db2.gz SSVPISXOJGDCCH-MNOVXSKESA-N 2 0 268.323 1.872 10 0 CDAERP Cc1cc(C[C@H]2CCC[C@@H]2[NH2+]CCC[NH+](C)C)n(C)n1 ZINC000852658115 829837391 /nfs/dbraw/zinc/83/73/91/829837391.db2.gz VPYNXRYIHQGXMH-ZBFHGGJFSA-N 2 0 278.444 1.981 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccnc1-n1ccnc1 ZINC000817900728 829846093 /nfs/dbraw/zinc/84/60/93/829846093.db2.gz VJPHIFVCMMXUPH-JSGCOSHPSA-N 2 0 271.368 1.484 10 0 CDAERP COCCC1(NC(=O)c2cccc(C[NH3+])c2)CC[NH2+]CC1 ZINC000868043118 829857764 /nfs/dbraw/zinc/85/77/64/829857764.db2.gz AFSOYXCFUHXJFD-UHFFFAOYSA-N 2 0 291.395 1.034 10 0 CDAERP [NH3+][C@H]1C[C@H]([NH2+][C@H](CCO)c2ccccc2)C12CCC2 ZINC000925624153 829858369 /nfs/dbraw/zinc/85/83/69/829858369.db2.gz VVZFZFZIDGOZKE-ILXRZTDVSA-N 2 0 260.381 1.970 10 0 CDAERP COC(=O)CC[C@@H]1CCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000872153663 829879624 /nfs/dbraw/zinc/87/96/24/829879624.db2.gz GFFNGPTZUSUBTB-UONOGXRCSA-N 2 0 296.411 1.173 10 0 CDAERP C[NH+](C)CC[C@@H](NC(=O)C=C1CC[NH2+]CC1)C(C)(C)C ZINC000852868796 833576839 /nfs/dbraw/zinc/57/68/39/833576839.db2.gz OFWIVGXGSACRHW-CQSZACIVSA-N 2 0 281.444 1.779 10 0 CDAERP COCCC[NH+]1CCC(N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925575416 829994789 /nfs/dbraw/zinc/99/47/89/829994789.db2.gz GNFZFXSABMWFDQ-OAHLLOKOSA-N 2 0 281.444 1.362 10 0 CDAERP C[NH2+]C1CCN(C[C@H](O)COc2cc(C)cc(C)c2)CC1 ZINC000923286661 830033130 /nfs/dbraw/zinc/03/31/30/830033130.db2.gz KYOXVDKHBGOKDW-INIZCTEOSA-N 2 0 292.423 1.727 10 0 CDAERP CC1(C)C[C@@H]([NH2+]CCNC(=O)C2CC2)C[C@@H]([NH3+])C1 ZINC000925504159 830070524 /nfs/dbraw/zinc/07/05/24/830070524.db2.gz MKRBFSXBDQWCQC-NEPJUHHUSA-N 2 0 253.390 1.008 10 0 CDAERP Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cc1F ZINC000923503664 830203666 /nfs/dbraw/zinc/20/36/66/830203666.db2.gz KOEUVIKFPOOVCH-OLZOCXBDSA-N 2 0 293.386 1.989 10 0 CDAERP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCC1SCCS1 ZINC000854231335 830230673 /nfs/dbraw/zinc/23/06/73/830230673.db2.gz JZIHDHINHHFQPN-AXFHLTTASA-N 2 0 276.471 1.525 10 0 CDAERP CCCC[C@@H](C)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925855869 830263669 /nfs/dbraw/zinc/26/36/69/830263669.db2.gz OSBYGEYTMJHMPU-OLZOCXBDSA-N 2 0 268.401 1.840 10 0 CDAERP CN(C(=O)C[NH+]1CCC(C(C)(C)C[NH3+])CC1)C1CC1 ZINC000714446076 830317966 /nfs/dbraw/zinc/31/79/66/830317966.db2.gz JTSJFIPZRSAUTQ-UHFFFAOYSA-N 2 0 267.417 1.304 10 0 CDAERP CC[NH+]1CCC(CCNC(=[NH2+])N[C@H]2C[C@@H]2C)CC1 ZINC000864458867 830335177 /nfs/dbraw/zinc/33/51/77/830335177.db2.gz VHSLRPOKMBRVBC-AAEUAGOBSA-N 2 0 252.406 1.631 10 0 CDAERP COCCOCC[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000924781649 830348747 /nfs/dbraw/zinc/34/87/47/830348747.db2.gz WMMDVPLBHJXHPJ-UONOGXRCSA-N 2 0 256.390 1.256 10 0 CDAERP CC[C@H]([NH2+]CCN(C)CCCOC)[C@H]1CCCOC1 ZINC000872039709 830360128 /nfs/dbraw/zinc/36/01/28/830360128.db2.gz UNLDPXAHTQNZBA-GJZGRUSLSA-N 2 0 272.433 1.750 10 0 CDAERP C[NH+](C)CC1(O)CC[NH+](C[C@H]2CCCC3(CCC3)O2)CC1 ZINC000931479231 830368207 /nfs/dbraw/zinc/36/82/07/830368207.db2.gz NMAMLGSKMVWGRP-OAHLLOKOSA-N 2 0 296.455 1.867 10 0 CDAERP CCO[C@H](CN[C@@H]1C[C@H]([NH3+])c2ccccc21)C[NH+](C)C ZINC000925841696 830424422 /nfs/dbraw/zinc/42/44/22/830424422.db2.gz RYPXBLUOJUDROM-UHOFOFEASA-N 2 0 277.412 1.688 10 0 CDAERP CC[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)C1CC1 ZINC000925844754 830498222 /nfs/dbraw/zinc/49/82/22/830498222.db2.gz LFXLFWVUQKBIKV-HNNXBMFYSA-N 2 0 253.434 1.840 10 0 CDAERP Cc1noc(C)c1CCC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000817900382 830531052 /nfs/dbraw/zinc/53/10/52/830531052.db2.gz SFHBROXFNISGAY-GXTWGEPZSA-N 2 0 251.374 1.941 10 0 CDAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@@H]3CC[C@@H](C4CC4)O3)C[C@@H]12 ZINC000715509095 830540999 /nfs/dbraw/zinc/54/09/99/830540999.db2.gz LBMPNFVGUNQDIQ-KHMAMNHCSA-N 2 0 250.386 1.613 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)CO[C@@H]2CCC[NH2+]C2)cc1 ZINC000841848432 833642006 /nfs/dbraw/zinc/64/20/06/833642006.db2.gz LGHJUFWNXMKLME-IUODEOHRSA-N 2 0 291.395 1.091 10 0 CDAERP c1nc2ccccn2c1CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000843117399 830658837 /nfs/dbraw/zinc/65/88/37/830658837.db2.gz PHSZRHNHFOBJQS-MRXNPFEDSA-N 2 0 270.380 1.910 10 0 CDAERP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@@H]3C[C@@H]4COC[C@@H]4O3)C2)C1 ZINC000930576991 830687616 /nfs/dbraw/zinc/68/76/16/830687616.db2.gz OPNSEYOXYWLQJD-UGUYLWEFSA-N 2 0 280.412 1.208 10 0 CDAERP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H](O)CC3(CO)CCCC3)C[C@@H]2C1 ZINC000931443135 830721400 /nfs/dbraw/zinc/72/14/00/830721400.db2.gz RSSUQHBNDUSQAM-OWCLPIDISA-N 2 0 296.455 1.174 10 0 CDAERP CC[C@H]1CN(C(=O)CCCCCC[NH3+])CC[N@@H+]1C[C@H](C)O ZINC000246251187 833709287 /nfs/dbraw/zinc/70/92/87/833709287.db2.gz JXLDITYEEPYBRI-GJZGRUSLSA-N 2 0 299.459 1.199 10 0 CDAERP COC(=O)C1=CC[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000858471977 832090729 /nfs/dbraw/zinc/09/07/29/832090729.db2.gz FMCROISJTWJCSS-OAHLLOKOSA-N 2 0 278.396 1.712 10 0 CDAERP C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1cnnn1C ZINC000926798034 832213781 /nfs/dbraw/zinc/21/37/81/832213781.db2.gz RACRMROWKDJMPM-DCBWTQNWSA-N 2 0 265.405 1.729 10 0 CDAERP Cn1ncc2cc(C[NH2+]C[C@H]3CCCC[N@H+](C)C3)cnc21 ZINC000865641529 832217978 /nfs/dbraw/zinc/21/79/78/832217978.db2.gz ZPJKOXQSRMAXMG-CYBMUJFWSA-N 2 0 287.411 1.790 10 0 CDAERP CC1(C)C[NH2+]CC[C@@H](NC(=O)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000872275846 833802301 /nfs/dbraw/zinc/80/23/01/833802301.db2.gz GTHQGRVJVZSAEA-JHJVBQTASA-N 2 0 267.417 1.398 10 0 CDAERP CCCN(C[C@H]1CC2(CO1)CCOCC2)[C@@H]1CC[NH2+]C1 ZINC000712603561 833809696 /nfs/dbraw/zinc/80/96/96/833809696.db2.gz JRLQBHWLGAOFRS-HUUCEWRRSA-N 2 0 282.428 1.646 10 0 CDAERP COC(=O)c1ccc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1 ZINC000723909041 833810882 /nfs/dbraw/zinc/81/08/82/833810882.db2.gz WNXXZJVLFCTELY-IUODEOHRSA-N 2 0 276.380 1.890 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CC[NH2+]C(C)(C)C ZINC000251855776 833818343 /nfs/dbraw/zinc/81/83/43/833818343.db2.gz RYTXWHFPZYSTLH-KGLIPLIRSA-N 2 0 281.444 1.850 10 0 CDAERP CC(C)OC[C@@H](O)C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000872203072 832309524 /nfs/dbraw/zinc/30/95/24/832309524.db2.gz URVDOJSQKNVTBP-MJBXVCDLSA-N 2 0 258.406 1.235 10 0 CDAERP c1cc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)sn1 ZINC000709983570 832329518 /nfs/dbraw/zinc/32/95/18/832329518.db2.gz JFRDJIJUHPLLJA-SDDRHHMPSA-N 2 0 251.399 1.663 10 0 CDAERP CO[C@@H](C[N@@H+]1[C@@H]2CC[C@H]1CN(C)CC2)[C@@H]1CCOC1 ZINC000931718743 832353977 /nfs/dbraw/zinc/35/39/77/832353977.db2.gz URJZHSMLGHONEJ-KBXIAJHMSA-N 2 0 268.401 1.206 10 0 CDAERP FC(F)(F)c1cccnc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000923459752 832354251 /nfs/dbraw/zinc/35/42/51/832354251.db2.gz FHMSOXLSNYVYIK-UHFFFAOYSA-N 2 0 288.317 1.095 10 0 CDAERP NC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925702163 832362523 /nfs/dbraw/zinc/36/25/23/832362523.db2.gz MKMWNSSCQGHRGJ-XJFOESAGSA-N 2 0 265.401 1.008 10 0 CDAERP Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1F ZINC000923503666 832377825 /nfs/dbraw/zinc/37/78/25/832377825.db2.gz KOEUVIKFPOOVCH-STQMWFEESA-N 2 0 293.386 1.989 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)NC1CC([NH+]2CCCCC2)C1 ZINC000852884597 832380475 /nfs/dbraw/zinc/38/04/75/832380475.db2.gz MAYABSIIJUBPRV-UHFFFAOYSA-N 2 0 277.412 1.429 10 0 CDAERP CC(C)CC[C@H](O)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000923409246 833837242 /nfs/dbraw/zinc/83/72/42/833837242.db2.gz LGJNTXCFOBRTDO-SOUVJXGZSA-N 2 0 254.418 1.715 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+][C@H]2CCOC23CCCCC3)CC1 ZINC000925111296 833837964 /nfs/dbraw/zinc/83/79/64/833837964.db2.gz BKPYCFOICGLVEF-AWEZNQCLSA-N 2 0 282.428 1.525 10 0 CDAERP CCCC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000848998827 833845566 /nfs/dbraw/zinc/84/55/66/833845566.db2.gz ANRZURUXRAIALL-HUUCEWRRSA-N 2 0 296.459 1.886 10 0 CDAERP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1[C@@H]3OC[C@H]4C[C@H]1C[C@H]34)[NH2+]2 ZINC000925725764 833846017 /nfs/dbraw/zinc/84/60/17/833846017.db2.gz NRXLIZSBIKQWKZ-FKEKCDIVSA-N 2 0 262.397 1.528 10 0 CDAERP C[NH+](C)C[C@@H]1CN(C(=O)C2(CCF)CC2)C[C@H]1C[NH+](C)C ZINC000870018401 833846186 /nfs/dbraw/zinc/84/61/86/833846186.db2.gz PTFGWIQMBIUKEN-ZIAGYGMSSA-N 2 0 299.434 1.324 10 0 CDAERP CSCC1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000719307707 833855606 /nfs/dbraw/zinc/85/56/06/833855606.db2.gz QAXQWULTSOQRIO-CYBMUJFWSA-N 2 0 270.442 1.582 10 0 CDAERP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711318069 833859031 /nfs/dbraw/zinc/85/90/31/833859031.db2.gz TUOFNCJSNWAFEQ-KGLIPLIRSA-N 2 0 283.460 1.859 10 0 CDAERP Cc1cc([C@@H]([NH3+])CC(=O)NC[C@H]2C[C@@H]([NH3+])C2)cc(Cl)n1 ZINC000870964469 833860902 /nfs/dbraw/zinc/86/09/02/833860902.db2.gz FOAZXZPVVNNYSQ-WCQGTBRESA-N 2 0 296.802 1.287 10 0 CDAERP C[C@H](CNC1=[NH+]CCCCN1)[NH+]1CCC(C)CC1 ZINC000849215823 833863222 /nfs/dbraw/zinc/86/32/22/833863222.db2.gz GJKKHEVBUNPVFC-CYBMUJFWSA-N 2 0 252.406 1.436 10 0 CDAERP CC(C)[C@@H]1COCC[C@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000926665316 832480123 /nfs/dbraw/zinc/48/01/23/832480123.db2.gz CEIHMOJKLAPBQN-LJISPDSOSA-N 2 0 254.418 1.977 10 0 CDAERP CC(C)C[NH+]1CCC(NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC1 ZINC000870916209 832490207 /nfs/dbraw/zinc/49/02/07/832490207.db2.gz BQYBTFONWFFILQ-WWGRRREGSA-N 2 0 279.428 1.350 10 0 CDAERP CC[C@H]([NH2+]C[C@H]1CC2(C[NH2+]C2)CO1)c1c(C)noc1C ZINC000923379280 833882683 /nfs/dbraw/zinc/88/26/83/833882683.db2.gz OGVNNOLBHNQWOB-OLZOCXBDSA-N 2 0 279.384 1.711 10 0 CDAERP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000713008967 832583129 /nfs/dbraw/zinc/58/31/29/832583129.db2.gz MRPJRCUHUMTOSE-CQSZACIVSA-N 2 0 283.460 1.796 10 0 CDAERP CCOC(=O)CCCC[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923496550 833887972 /nfs/dbraw/zinc/88/79/72/833887972.db2.gz HNZPRRQOXJOYOX-OLZOCXBDSA-N 2 0 256.390 1.637 10 0 CDAERP CC(=O)NCC1CCC([NH2+]CC2CC[NH+](C)CC2)CC1 ZINC000865450669 833888286 /nfs/dbraw/zinc/88/82/86/833888286.db2.gz SHMODCWFABKABP-UHFFFAOYSA-N 2 0 281.444 1.613 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710318 832619898 /nfs/dbraw/zinc/61/98/98/832619898.db2.gz YEVQWOGUPYRXMH-UPJWGTAASA-N 2 0 267.373 1.044 10 0 CDAERP O=C1CC[N@H+](CC[C@H]2CCC[NH2+]C2)CCCCCCN1 ZINC000866684084 832642505 /nfs/dbraw/zinc/64/25/05/832642505.db2.gz IHUGFDWYTFXMDN-OAHLLOKOSA-N 2 0 281.444 1.758 10 0 CDAERP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H]1C[C@@H]3COC[C@@H]3O1)C2 ZINC000930602740 832762995 /nfs/dbraw/zinc/76/29/95/832762995.db2.gz ZEIPVTRRSCPEMZ-FXUDXRNXSA-N 2 0 280.412 1.208 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000852873665 832807321 /nfs/dbraw/zinc/80/73/21/832807321.db2.gz BSTFVOAJVYBUJL-HUUCEWRRSA-N 2 0 277.412 1.287 10 0 CDAERP C[C@@H]([NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1)c1cccc(F)c1F ZINC000923380351 832810624 /nfs/dbraw/zinc/81/06/24/832810624.db2.gz VIOSZTVRNUAPHQ-MNOVXSKESA-N 2 0 282.334 1.994 10 0 CDAERP COC(=O)N1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000858122154 832815864 /nfs/dbraw/zinc/81/58/64/832815864.db2.gz DGDJDWGPLCJTNO-CHWSQXEVSA-N 2 0 283.416 1.680 10 0 CDAERP COc1ccccc1[C@H](O)CN[C@H]1CCCCC[C@H]1[NH3+] ZINC000817891984 832823199 /nfs/dbraw/zinc/82/31/99/832823199.db2.gz IEJNGCHLOKVBFA-QLFBSQMISA-N 2 0 278.396 1.978 10 0 CDAERP C[C@H](C[NH2+]C1[C@@H](C)COC[C@@H]1C)CN1CC[NH+](C)CC1 ZINC000924949353 832843104 /nfs/dbraw/zinc/84/31/04/832843104.db2.gz LIZBGXOALHJOFW-ILXRZTDVSA-N 2 0 283.460 1.131 10 0 CDAERP C[N@@H+]1CC[C@@H]2CN(C(=O)CCCCCC[NH3+])CC[C@@H]21 ZINC000870981435 832851323 /nfs/dbraw/zinc/85/13/23/832851323.db2.gz IPVXTUNLEIYBEV-KGLIPLIRSA-N 2 0 267.417 1.448 10 0 CDAERP C[C@@H]1C[C@@H](C[N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)CCO1 ZINC000931439592 832860992 /nfs/dbraw/zinc/86/09/92/832860992.db2.gz WAJMRDUPXZWKTP-CBBWQLFWSA-N 2 0 252.402 1.685 10 0 CDAERP CC[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)C1CC1 ZINC000925851098 832892803 /nfs/dbraw/zinc/89/28/03/832892803.db2.gz LNEDHMAAJVJQOH-STQMWFEESA-N 2 0 266.385 1.450 10 0 CDAERP CCOC(=O)N1CC[C@@H](N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000925640086 833494663 /nfs/dbraw/zinc/49/46/63/833494663.db2.gz FWUGKPCCHCWSQJ-NEPJUHHUSA-N 2 0 267.373 1.091 10 0 CDAERP CC(C)[C@@H](C(=O)N1CC[N@H+](C)C(C)(C)CC1)[C@@H](C)[NH3+] ZINC000712623907 833627764 /nfs/dbraw/zinc/62/77/64/833627764.db2.gz ZZAOCBIEMSSENI-CHWSQXEVSA-N 2 0 269.433 1.549 10 0 CDAERP CCC[C@H](C)C(=O)NCC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925676435 833731294 /nfs/dbraw/zinc/73/12/94/833731294.db2.gz JGZAFVNAYANTAK-XGUBFFRZSA-N 2 0 295.471 1.905 10 0 CDAERP CC1(C)C[C@@H]([NH2+][C@@H](CO)CC(F)F)C[C@@H]([NH3+])C1 ZINC000925651693 833744002 /nfs/dbraw/zinc/74/40/02/833744002.db2.gz JGDAFWOAOUVDKD-KXUCPTDWSA-N 2 0 250.333 1.498 10 0 CDAERP C(CN1CCC2(CC[NH2+]2)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923382824 834020565 /nfs/dbraw/zinc/02/05/65/834020565.db2.gz WJNXVNZJJAZMIQ-GOOCMWNKSA-N 2 0 263.429 1.735 10 0 CDAERP CCCCOC[C@H](O)C[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714486589 834055751 /nfs/dbraw/zinc/05/57/51/834055751.db2.gz OERKVMKKNDYQAE-OAHLLOKOSA-N 2 0 286.460 1.861 10 0 CDAERP O[C@H](CN1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(F)cn1 ZINC000799303238 834124370 /nfs/dbraw/zinc/12/43/70/834124370.db2.gz ISHABPIOWLTRPF-CZUORRHYSA-N 2 0 293.386 1.672 10 0 CDAERP COC(=O)N1CCC([NH2+][C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925568206 834190558 /nfs/dbraw/zinc/19/05/58/834190558.db2.gz NDRKZTLNDCEGJN-CYBMUJFWSA-N 2 0 281.400 1.482 10 0 CDAERP COc1cccc(NC(=O)C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC000165317390 834209727 /nfs/dbraw/zinc/20/97/27/834209727.db2.gz CRSIHUBTKMMUKH-CHWSQXEVSA-N 2 0 291.395 1.550 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCCCC[NH3+])[C@@H]2CCC[C@H]21 ZINC000843342223 834240072 /nfs/dbraw/zinc/24/00/72/834240072.db2.gz OROKRNPBUMPUEY-SOUVJXGZSA-N 3 0 253.434 1.968 10 0 CDAERP C[NH+]1CCC(C[NH2+][C@H]2CON(C(=O)OC(C)(C)C)C2)CC1 ZINC000703391827 834292816 /nfs/dbraw/zinc/29/28/16/834292816.db2.gz XAFOYLUTMGPRIY-CYBMUJFWSA-N 2 0 299.415 1.469 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000926226536 834306297 /nfs/dbraw/zinc/30/62/97/834306297.db2.gz VZZKPDDKLREBSV-HHHGZCDHSA-N 2 0 252.402 1.467 10 0 CDAERP C[C@H](C[NH2+][C@@H](C1CCC1)[C@H]1CCOC1)N1CC[NH+](C)CC1 ZINC000924967900 834315872 /nfs/dbraw/zinc/31/58/72/834315872.db2.gz ZWMAKTCJANZNQD-PVAVHDDUSA-N 2 0 295.471 1.417 10 0 CDAERP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1CC(=O)N(CC3CC3)C1)[NH2+]2 ZINC000716764846 834345865 /nfs/dbraw/zinc/34/58/65/834345865.db2.gz HEGKFFYQVOYGGN-RCSLCFTFSA-N 2 0 277.412 1.116 10 0 CDAERP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)CC[NH2+]C(C)(C)C ZINC000720898044 834348959 /nfs/dbraw/zinc/34/89/59/834348959.db2.gz INEBFTCGEFYQOQ-CHWSQXEVSA-N 2 0 267.417 1.460 10 0 CDAERP C[NH+](C)C1(CNC2=[NH+]CCCCN2)CCCCCC1 ZINC000849215103 834354542 /nfs/dbraw/zinc/35/45/42/834354542.db2.gz NNMDKBSUMAOHNQ-UHFFFAOYSA-N 2 0 266.433 1.970 10 0 CDAERP Cc1csc(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)n1 ZINC000923451223 834358944 /nfs/dbraw/zinc/35/89/44/834358944.db2.gz KPXGWNSMFBLOCV-GFCCVEGCSA-N 2 0 281.425 1.781 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)N2[C@H](C)CCC[C@@H]2C)C[C@H]1CC[NH3+] ZINC000723886070 834377398 /nfs/dbraw/zinc/37/73/98/834377398.db2.gz GLNVOFQYHQSXSG-APIJFGDWSA-N 2 0 281.444 1.693 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870859317 834386628 /nfs/dbraw/zinc/38/66/28/834386628.db2.gz ZYZLIVLMNOEYOV-JVWICGRDSA-N 2 0 265.401 1.119 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@H]2CCCN3CCSC[C@H]23)CCC1 ZINC000928088275 834678342 /nfs/dbraw/zinc/67/83/42/834678342.db2.gz YCNSUIMBSCADGZ-QWHCGFSZSA-N 2 0 297.468 1.167 10 0 CDAERP O=C(C[C@@H]1CC[NH2+]C1)NC1CCN(c2ccccn2)CC1 ZINC000089741825 834797124 /nfs/dbraw/zinc/79/71/24/834797124.db2.gz ZRCIBZXEQGCGMY-ZDUSSCGKSA-N 2 0 288.395 1.166 10 0 CDAERP Cc1nccn1CC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925534891 834798380 /nfs/dbraw/zinc/79/83/80/834798380.db2.gz RBEAQCJIYHKJPQ-OLZOCXBDSA-N 3 0 250.390 1.687 10 0 CDAERP Cc1occc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870024955 834819631 /nfs/dbraw/zinc/81/96/31/834819631.db2.gz WYGGDXIIGRJYIU-ZIAGYGMSSA-N 2 0 293.411 1.399 10 0 CDAERP CS(=O)(=O)CC1(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925711145 834828846 /nfs/dbraw/zinc/82/88/46/834828846.db2.gz DHJIHNKQHGYXKD-GFCCVEGCSA-N 2 0 286.441 1.076 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925676503 834829086 /nfs/dbraw/zinc/82/90/86/834829086.db2.gz NESBUQIAZUZTJB-IHRRRGAJSA-N 2 0 253.434 1.966 10 0 CDAERP C[C@H]1C[C@@H]1NC(=[NH2+])NC1CC([NH+]2CCCCC2)C1 ZINC000864464773 834833236 /nfs/dbraw/zinc/83/32/36/834833236.db2.gz HFSYVGHANHBXFM-WTIISPKJSA-N 2 0 250.390 1.526 10 0 CDAERP Cc1nccn1CCC[N@@H+]1CC[NH2+]CCC1(C)C ZINC000712507515 834844662 /nfs/dbraw/zinc/84/46/62/834844662.db2.gz SKVSISULKBOVEB-UHFFFAOYSA-N 2 0 250.390 1.656 10 0 CDAERP C[N@@H+]1CCCC12CCN(C[C@H](O)C1(O)CCCC1)CC2 ZINC000930171663 834846622 /nfs/dbraw/zinc/84/66/22/834846622.db2.gz UCZAHSBGCMFOQG-AWEZNQCLSA-N 2 0 282.428 1.213 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCN(C[C@H]2CN(C3CC3)C(=O)O2)C1 ZINC000844299102 834851631 /nfs/dbraw/zinc/85/16/31/834851631.db2.gz BVWASKIVNNYLHJ-HIFRSBDPSA-N 2 0 295.427 1.633 10 0 CDAERP C[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1ccncc1 ZINC000925843218 834869411 /nfs/dbraw/zinc/86/94/11/834869411.db2.gz DDYLCDNIQJCONB-HNNXBMFYSA-N 2 0 276.428 1.808 10 0 CDAERP C[C@@H](C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)C[C@H](C)O ZINC000925511681 834880272 /nfs/dbraw/zinc/88/02/72/834880272.db2.gz RMDNQQUKXUAYSU-BJJPWKGXSA-N 2 0 254.418 1.760 10 0 CDAERP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H]2C[C@H]3COC[C@@H]3O2)C1 ZINC000929764511 834888462 /nfs/dbraw/zinc/88/84/62/834888462.db2.gz WGTWHRMINBNZPC-QAETUUGQSA-N 2 0 294.439 1.454 10 0 CDAERP COC(=O)CCC[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866706364 834950125 /nfs/dbraw/zinc/95/01/25/834950125.db2.gz HNQXMSKGMSDRCL-CQSZACIVSA-N 2 0 256.390 1.637 10 0 CDAERP C[N@H+](C[C@@H]1C[C@@H]2COC[C@@H]2O1)C1(C[NH3+])CCCCC1 ZINC000724588493 834989751 /nfs/dbraw/zinc/98/97/51/834989751.db2.gz CHIXFWSAZYPEDQ-RDBSUJKOSA-N 2 0 268.401 1.384 10 0 CDAERP CC[NH+](CC)[C@@H](CNC(=[NH2+])NC1CC1)CC(C)C ZINC000066242743 835017702 /nfs/dbraw/zinc/01/77/02/835017702.db2.gz BGTNRZQULOJKFH-CYBMUJFWSA-N 2 0 254.422 1.810 10 0 CDAERP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(C(=O)N(C)C)cc1 ZINC000925784271 835024647 /nfs/dbraw/zinc/02/46/47/835024647.db2.gz IWMNDGUEOZMGBA-IOASZLSFSA-N 2 0 289.423 1.895 10 0 CDAERP CC(C)NC(=[NH2+])NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000849046009 835085958 /nfs/dbraw/zinc/08/59/58/835085958.db2.gz MBSBFEIQLUQELP-CABCVRRESA-N 2 0 274.412 1.854 10 0 CDAERP CCCC[NH+]1CCC([NH2+]C[C@@H](O)CC(C)(C)O)CC1 ZINC000872200369 835092139 /nfs/dbraw/zinc/09/21/39/835092139.db2.gz HPVVQNZRWKGDRB-AWEZNQCLSA-N 2 0 272.433 1.362 10 0 CDAERP CCNC(=[NH2+])NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000849045621 835210528 /nfs/dbraw/zinc/21/05/28/835210528.db2.gz DKSONDSDBDOYHZ-KGLIPLIRSA-N 2 0 260.385 1.466 10 0 CDAERP Cc1conc1C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923447245 835210882 /nfs/dbraw/zinc/21/08/82/835210882.db2.gz QWTFTGPALUHMMN-LBPRGKRZSA-N 2 0 265.357 1.313 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000852896845 835341341 /nfs/dbraw/zinc/34/13/41/835341341.db2.gz CLBXEXGXVREFRO-HUUCEWRRSA-N 2 0 277.412 1.429 10 0 CDAERP CC(=O)[C@](C)(O)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859211890 835342864 /nfs/dbraw/zinc/34/28/64/835342864.db2.gz CABRCLZMGYHLSA-MRXNPFEDSA-N 2 0 278.396 1.520 10 0 CDAERP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870872360 835351181 /nfs/dbraw/zinc/35/11/81/835351181.db2.gz RZMSNAXCPRCGHZ-FAHYXWLWSA-N 2 0 279.428 1.350 10 0 CDAERP CC[C@H](C[NH+]1CCCC1)NC(=O)C=C1CC[NH2+]CC1 ZINC000852869188 835395325 /nfs/dbraw/zinc/39/53/25/835395325.db2.gz YOQSTFUBAANGHX-CQSZACIVSA-N 2 0 265.401 1.287 10 0 CDAERP Cc1cc([C@@H]([NH3+])CC(=O)N[C@@H](C[NH3+])C2CC2)cc(Cl)n1 ZINC000832785936 835478121 /nfs/dbraw/zinc/47/81/21/835478121.db2.gz FTFBUVXGZLVSHQ-RYUDHWBXSA-N 2 0 296.802 1.287 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCN(C(=O)C=C2CC[NH2+]CC2)C1 ZINC000852869658 835486564 /nfs/dbraw/zinc/48/65/64/835486564.db2.gz JSCKULOQSFADAD-OAHLLOKOSA-N 2 0 279.428 1.487 10 0 CDAERP CCOCCC[N@@H+]1CC[C@@H](N[C@@H]2C[NH2+]C[C@H]2C)[C@@H](C)C1 ZINC000925783038 835491718 /nfs/dbraw/zinc/49/17/18/835491718.db2.gz BJEASYNOYMWKNK-QKPAOTATSA-N 2 0 283.460 1.321 10 0 CDAERP Cc1cc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)nn1C ZINC000925830517 835496964 /nfs/dbraw/zinc/49/69/64/835496964.db2.gz AOPZHLJIWBWEAC-BZUAXINKSA-N 2 0 276.428 1.781 10 0 CDAERP C[NH+]1CCC2(CCC[N@H+](C[C@@]3(O)CCCOC3)C2)CC1 ZINC000852007160 835538311 /nfs/dbraw/zinc/53/83/11/835538311.db2.gz JWZUZMDVDIUPGN-INIZCTEOSA-N 2 0 282.428 1.336 10 0 CDAERP CCC[NH+]1CCC(C[NH2+]CCC(=O)N(C)OC)CC1 ZINC000818991143 835547059 /nfs/dbraw/zinc/54/70/59/835547059.db2.gz XKVWBLKTEXZFDF-UHFFFAOYSA-N 2 0 271.405 1.108 10 0 CDAERP C[C@@H](C[C@@H]1COCCN1)[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925809453 835549750 /nfs/dbraw/zinc/54/97/50/835549750.db2.gz VQPQVKUHJPFVKW-DOTOQJQBSA-N 2 0 297.487 1.903 10 0 CDAERP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000870872691 835637149 /nfs/dbraw/zinc/63/71/49/835637149.db2.gz GUCNLGOBYYLHBZ-WVZRYYJFSA-N 2 0 293.455 1.741 10 0 CDAERP CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CCC[NH+](C)C ZINC001565937559 1168203637 /nfs/dbraw/zinc/20/36/37/1168203637.db2.gz AUEPHJVSOYIFLQ-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]1CCN1Cc1conc1C)[NH+](C)C ZINC001483659885 912398678 /nfs/dbraw/zinc/39/86/78/912398678.db2.gz VIQAQBPMDXWRLD-UONOGXRCSA-N 2 0 294.399 1.014 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001567215324 1168624508 /nfs/dbraw/zinc/62/45/08/1168624508.db2.gz UFWSONDXFKWVMU-GDBMZVCRSA-N 2 0 293.455 1.779 10 0 CDAERP C[NH+](C)CC1(C(=O)N2CC[C@@H](CC[NH2+]CCCF)C2)CC1 ZINC001272547856 913412305 /nfs/dbraw/zinc/41/23/05/913412305.db2.gz YSWHQEKTNHXKAM-CQSZACIVSA-N 2 0 299.434 1.516 10 0 CDAERP CC(C)=CC[NH+]1CC[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001567404234 1168738113 /nfs/dbraw/zinc/73/81/13/1168738113.db2.gz VNNFZAXAFCNDRN-HNNXBMFYSA-N 2 0 293.455 1.875 10 0 CDAERP C[N@H+](CCOCC1CC1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699283467 913680253 /nfs/dbraw/zinc/68/02/53/913680253.db2.gz TUNFURTVGRSSGZ-GOOCMWNKSA-N 2 0 252.402 1.875 10 0 CDAERP CC[C@H](F)C[NH2+]CCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001567516606 1168824577 /nfs/dbraw/zinc/82/45/77/1168824577.db2.gz YPDRQNIJBQJDFO-AWEZNQCLSA-N 2 0 299.434 1.659 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]CC1CC(C)C1 ZINC001266718105 895904438 /nfs/dbraw/zinc/90/44/38/895904438.db2.gz BMAFRWOWLFXNNF-UYSNPLJNSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001266730496 895928699 /nfs/dbraw/zinc/92/86/99/895928699.db2.gz UWMABLKJBGAWGA-SOUVJXGZSA-N 2 0 281.444 1.611 10 0 CDAERP C[NH+](C)CCC(=O)NCC[N@H+](C)C[C@H]1CCC(F)(F)C1 ZINC001480908141 896481174 /nfs/dbraw/zinc/48/11/74/896481174.db2.gz PLFSJFUCSLFKCO-LBPRGKRZSA-N 2 0 291.386 1.422 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CC[C@H](C[NH2+]CC2CCC2)C1 ZINC001267066907 896675341 /nfs/dbraw/zinc/67/53/41/896675341.db2.gz LNBSKOMDXNRXLY-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP CC[C@H](C(=O)N1CC[C@H](CC[NH2+]CC(C)C)C1)[NH+](C)C ZINC001272616306 914182597 /nfs/dbraw/zinc/18/25/97/914182597.db2.gz LCPAJNJMSKPNEN-LSDHHAIUSA-N 2 0 283.460 1.811 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001481125697 898943143 /nfs/dbraw/zinc/94/31/43/898943143.db2.gz FINSNGKBQHQFRL-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)C[C@H](C)CC ZINC001481151545 898981118 /nfs/dbraw/zinc/98/11/18/898981118.db2.gz JQHTYGUQONVWBN-OAHLLOKOSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@H+](CCCF)C1CC1 ZINC001481199477 899126623 /nfs/dbraw/zinc/12/66/23/899126623.db2.gz GXSIMSBFVKSLSL-KBPBESRZSA-N 2 0 299.434 1.799 10 0 CDAERP C[NH+]1CCC2(CCN(C(=O)C3=CC[C@H]([NH3+])C3)CC2)CC1 ZINC000695641151 899649910 /nfs/dbraw/zinc/64/99/10/899649910.db2.gz OOCXAWCXICNPNL-AWEZNQCLSA-N 2 0 277.412 1.368 10 0 CDAERP CO[C@H](C)C[NH2+]CCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001481298782 900231123 /nfs/dbraw/zinc/23/11/23/900231123.db2.gz RQXPGWOKLUWQAX-CQSZACIVSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CCNC(=O)CCCC[NH+](C)C)C1 ZINC001481459986 900751489 /nfs/dbraw/zinc/75/14/89/900751489.db2.gz SZQYECKWCHAHPS-OAHLLOKOSA-N 2 0 283.460 1.955 10 0 CDAERP CCS(=O)(=O)CC[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000692874652 900868835 /nfs/dbraw/zinc/86/88/35/900868835.db2.gz WLNTZBYFZPFWHM-AWEZNQCLSA-N 2 0 288.457 1.133 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1CCC[N@H+](CC[C@@H](C)F)C1)[NH+](C)C ZINC001481526384 901074070 /nfs/dbraw/zinc/07/40/70/901074070.db2.gz XKGKCARLJMNLSL-MGPQQGTHSA-N 2 0 287.423 1.655 10 0 CDAERP CCCCC[NH+]1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001481654999 901725853 /nfs/dbraw/zinc/72/58/53/901725853.db2.gz OLYABRYTABKYHH-UHFFFAOYSA-N 2 0 279.428 1.320 10 0 CDAERP C[N@H+](CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CCCF)C1CCC1 ZINC001268281163 901736239 /nfs/dbraw/zinc/73/62/39/901736239.db2.gz UZYHBFFIHLGQHP-DZGCQCFKSA-N 2 0 299.434 1.705 10 0 CDAERP CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001268293740 901768810 /nfs/dbraw/zinc/76/88/10/901768810.db2.gz GXLFSENZCAFFIW-UONOGXRCSA-N 2 0 269.433 1.611 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@H](O)CC3CCCC3)C[C@@H]21 ZINC000300072028 901891043 /nfs/dbraw/zinc/89/10/43/901891043.db2.gz HTJOOCLOSQVAMB-LVQVYYBASA-N 2 0 266.429 1.987 10 0 CDAERP O=C(Cn1ccnc1)N[C@@H]1CC[N@@H+](CCCCCF)C1 ZINC001481710233 901893221 /nfs/dbraw/zinc/89/32/21/901893221.db2.gz OTLHEMKLRVXRIM-CYBMUJFWSA-N 2 0 282.363 1.213 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC=C(C)C ZINC001481875913 902251873 /nfs/dbraw/zinc/25/18/73/902251873.db2.gz RDHWVYZIIHNWSF-ZIAGYGMSSA-N 2 0 267.417 1.389 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C2CC2)[NH+](C)C)C1 ZINC001361667957 902460619 /nfs/dbraw/zinc/46/06/19/902460619.db2.gz VCEKHQWTQJTKMQ-GJZGRUSLSA-N 2 0 281.444 1.563 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC1CCCC1 ZINC001268525703 902507174 /nfs/dbraw/zinc/50/71/74/902507174.db2.gz ZBPHFMDMYZRKNX-XVWMLYKFSA-N 2 0 279.428 1.533 10 0 CDAERP CC(C)C[NH2+]C/C=C/CNC(=O)C1(C[NH+](C)C)CC1 ZINC001268580485 902664849 /nfs/dbraw/zinc/66/48/49/902664849.db2.gz BMWGMQUHSLRGHM-AATRIKPKSA-N 2 0 267.417 1.246 10 0 CDAERP CC(C)[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001268601621 902807144 /nfs/dbraw/zinc/80/71/44/902807144.db2.gz DCQWTKACNKDSOX-OVNWPICBSA-N 2 0 279.428 1.674 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CC[N@H+](C)CC2(C)C)C1 ZINC001362159967 903263308 /nfs/dbraw/zinc/26/33/08/903263308.db2.gz GCNYFRBWHAQIBC-UONOGXRCSA-N 2 0 281.444 1.659 10 0 CDAERP C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001362334760 903490358 /nfs/dbraw/zinc/49/03/58/903490358.db2.gz KHWMAEYVGHRUPK-ZNMIVQPWSA-N 2 0 281.444 1.517 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H](F)C2)CC1 ZINC001362835652 904092680 /nfs/dbraw/zinc/09/26/80/904092680.db2.gz FUXPCYCLALLMPC-UONOGXRCSA-N 2 0 285.407 1.363 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]CC1=CCCCC1 ZINC001270594324 904769385 /nfs/dbraw/zinc/76/93/85/904769385.db2.gz FGLFDWADCRRDIW-ZBFHGGJFSA-N 2 0 293.455 1.780 10 0 CDAERP COCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001271215486 906183440 /nfs/dbraw/zinc/18/34/40/906183440.db2.gz GQBWUQRHMFQHPM-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP CCC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001271839911 906883070 /nfs/dbraw/zinc/88/30/70/906883070.db2.gz UPLRZLCRTIRFJT-MGPQQGTHSA-N 2 0 269.433 1.467 10 0 CDAERP CC[NH+](CC)C1CCN(C[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001364624943 921395777 /nfs/dbraw/zinc/39/57/77/921395777.db2.gz VSAXIWNFZBQRDX-MRXNPFEDSA-N 2 0 297.487 1.761 10 0 CDAERP CC(C)C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001273001734 921405478 /nfs/dbraw/zinc/40/54/78/921405478.db2.gz MBRJADMJLMTYKX-ZIAGYGMSSA-N 2 0 271.449 1.713 10 0 CDAERP C[C@H](CC[NH2+]CCF)NC(=O)C12CCC[NH+]1CCC2 ZINC001482851614 908427531 /nfs/dbraw/zinc/42/75/31/908427531.db2.gz OOSDIJHIUQMSJU-GFCCVEGCSA-N 2 0 271.380 1.069 10 0 CDAERP CC[NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001483042550 908810570 /nfs/dbraw/zinc/81/05/70/908810570.db2.gz NAOKKGMJGHZFMX-WAYWQWQTSA-N 2 0 253.390 1.143 10 0 CDAERP CCC[NH2+]C/C=C/CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001483075983 909286103 /nfs/dbraw/zinc/28/61/03/909286103.db2.gz OYPQGFBOSYERHD-AATRIKPKSA-N 2 0 281.444 1.779 10 0 CDAERP C[C@H](C[NH2+][C@@H](C)c1ccccc1F)NC(=O)CC[NH+](C)C ZINC001483162777 909890962 /nfs/dbraw/zinc/89/09/62/909890962.db2.gz MZFFLMYVQJJYPS-OLZOCXBDSA-N 2 0 295.402 1.933 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001483228942 910307402 /nfs/dbraw/zinc/30/74/02/910307402.db2.gz STURVZGZSFQHJP-DZGCQCFKSA-N 2 0 281.444 1.469 10 0 CDAERP CC(C)[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001409407854 910375398 /nfs/dbraw/zinc/37/53/98/910375398.db2.gz YGQFRVCRJNLPMW-CHWSQXEVSA-N 2 0 271.449 1.856 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC2CCC2)[C@@H]1C ZINC001507298877 911038502 /nfs/dbraw/zinc/03/85/02/911038502.db2.gz RSGBEBADSVSAAZ-DZGCQCFKSA-N 2 0 281.444 1.706 10 0 CDAERP CC(C)[NH+](C)CC(=O)N[C@H](C)C[N@H+](C)CC[C@H]1CCOC1 ZINC001483422146 911095262 /nfs/dbraw/zinc/09/52/62/911095262.db2.gz VBJIKYSPVSLWKP-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)[NH2+]C[C@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001483561679 911250565 /nfs/dbraw/zinc/25/05/65/911250565.db2.gz WBVRGSFGAZJVMP-CABCVRRESA-N 2 0 279.428 1.221 10 0 CDAERP CCN(CC[NH2+]Cc1ccc(F)cn1)C(=O)CC[NH+](C)C ZINC001273589270 921670858 /nfs/dbraw/zinc/67/08/58/921670858.db2.gz ZZNIXKNAIOOXAG-UHFFFAOYSA-N 2 0 296.390 1.111 10 0 CDAERP CC(C)=CC[NH2+]C[C@@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001484111022 915438709 /nfs/dbraw/zinc/43/87/09/915438709.db2.gz UPCGFXDDOYSIOS-MRXNPFEDSA-N 2 0 281.444 1.733 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)CC[NH2+]Cc1cccc(C)c1 ZINC001493770086 915629087 /nfs/dbraw/zinc/62/90/87/915629087.db2.gz ZLDZWNJTGMBDAZ-UHFFFAOYSA-N 2 0 291.439 1.885 10 0 CDAERP C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C[NH2+]CCF ZINC001484383742 915700794 /nfs/dbraw/zinc/70/07/94/915700794.db2.gz CGTDBPZDJAEMCY-LSDHHAIUSA-N 2 0 299.434 1.516 10 0 CDAERP Cc1ncccc1C[NH2+]CCN(C)C(=O)C[NH+]1CCCC1 ZINC001493793911 915773399 /nfs/dbraw/zinc/77/33/99/915773399.db2.gz OUHIFZJVBBTARI-UHFFFAOYSA-N 2 0 290.411 1.034 10 0 CDAERP CCC[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001484471867 915798172 /nfs/dbraw/zinc/79/81/72/915798172.db2.gz HEFVZQWNGDLTAW-LSDHHAIUSA-N 2 0 281.444 1.659 10 0 CDAERP CC[NH2+]CC[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001484534067 915860584 /nfs/dbraw/zinc/86/05/84/915860584.db2.gz TVOVGTUOUWXZDD-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP O=C(NCC1([NH2+]CCF)CCC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001484654696 916000305 /nfs/dbraw/zinc/00/03/05/916000305.db2.gz VATAKFNRTDUMSH-KGLIPLIRSA-N 2 0 297.418 1.601 10 0 CDAERP CCC1([NH2+]CC2CC2)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001484816827 916186361 /nfs/dbraw/zinc/18/63/61/916186361.db2.gz PURSYRNSBXQASV-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)=CC[N@@H+](C)[C@H](C)CNC(=O)Cn1cncc1C ZINC001485331385 916830343 /nfs/dbraw/zinc/83/03/43/916830343.db2.gz VITKIDYSCXAMOK-CYBMUJFWSA-N 2 0 278.400 1.594 10 0 CDAERP COCC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001485441454 916972710 /nfs/dbraw/zinc/97/27/10/916972710.db2.gz NGMKJPUNJZJULX-CABCVRRESA-N 2 0 299.459 1.047 10 0 CDAERP CCC[NH+]1CC([C@H](C)NC(=O)C[N@H+](C)C(C)C)C1 ZINC001485540061 917069496 /nfs/dbraw/zinc/06/94/96/917069496.db2.gz QMSVKDJNTJWLLI-LBPRGKRZSA-N 2 0 255.406 1.173 10 0 CDAERP CC[C@H](F)C[N@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001485766851 917267805 /nfs/dbraw/zinc/26/78/05/917267805.db2.gz MCYWVIMBQVERII-KBPBESRZSA-N 2 0 299.434 1.609 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001490897502 936669398 /nfs/dbraw/zinc/66/93/98/936669398.db2.gz KWMBRZVEWRSSTB-JHJVBQTASA-N 2 0 285.407 1.456 10 0 CDAERP CCN1CC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC001140101800 936678899 /nfs/dbraw/zinc/67/88/99/936678899.db2.gz BWOBPCODJKCPQV-ZIAGYGMSSA-N 2 0 265.401 1.214 10 0 CDAERP CCOCC[NH2+]C[C@@H](C)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001568303731 1169233459 /nfs/dbraw/zinc/23/34/59/1169233459.db2.gz CAZQVUKROKHPRK-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C1CC[NH+](CC)CC1)[NH+](C)C ZINC001486441277 921022208 /nfs/dbraw/zinc/02/22/08/921022208.db2.gz NSNHLBIJYKNNHQ-TZMCWYRMSA-N 2 0 269.433 1.563 10 0 CDAERP CCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001490916998 936726565 /nfs/dbraw/zinc/72/65/65/936726565.db2.gz MVVUWKKDLWGBMP-MGPQQGTHSA-N 2 0 267.417 1.508 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CCC[N@@H+](C/C=C/Cl)C1 ZINC001491130799 936861147 /nfs/dbraw/zinc/86/11/47/936861147.db2.gz QMZVNRAGDIHTCZ-YVZNUBBCSA-N 2 0 299.846 1.663 10 0 CDAERP CCC[NH2+]CCN(CC)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001273687011 924393648 /nfs/dbraw/zinc/39/36/48/924393648.db2.gz DQJPAWMOHIREBC-UHFFFAOYSA-N 2 0 283.460 1.955 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCCF)CCC1 ZINC001273201311 924538686 /nfs/dbraw/zinc/53/86/86/924538686.db2.gz LBRBHXGMTUMMMM-CQSZACIVSA-N 2 0 299.434 1.849 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001491506626 936926542 /nfs/dbraw/zinc/92/65/42/936926542.db2.gz TWRVOGPVOWVQBB-QWHCGFSZSA-N 2 0 255.406 1.221 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N2CCCC[C@@H]2CC[NH2+]CCF)C1 ZINC001568397247 1169272136 /nfs/dbraw/zinc/27/21/36/1169272136.db2.gz WCQJYBDPTGUZAT-HUUCEWRRSA-N 2 0 299.434 1.659 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@H](C[NH2+]CC2CC2)C2CC2)C1 ZINC001410308970 925511591 /nfs/dbraw/zinc/51/15/91/925511591.db2.gz KOVIGLLGUPOKAS-CZUORRHYSA-N 2 0 293.455 1.565 10 0 CDAERP CC[N@@H+]1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH+](C)C[C@H]23)[C@H](C)C1 ZINC001414731569 925837948 /nfs/dbraw/zinc/83/79/48/925837948.db2.gz XAWJXEABHIFQQB-APIJFGDWSA-N 2 0 294.443 1.062 10 0 CDAERP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC1CCCC1 ZINC001410508440 925848133 /nfs/dbraw/zinc/84/81/33/925848133.db2.gz WURFRQPFQQWQLZ-HIFRSBDPSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H](O)CCC[NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001491545256 937062078 /nfs/dbraw/zinc/06/20/78/937062078.db2.gz AYMSTMHQBJHECE-UONOGXRCSA-N 2 0 299.459 1.116 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1C[NH+](C)CCOC ZINC001489331727 926875420 /nfs/dbraw/zinc/87/54/20/926875420.db2.gz YLBFDNJHTRYAIS-HNNXBMFYSA-N 2 0 299.459 1.288 10 0 CDAERP CCC[N@H+](C)CCCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001490251092 927056946 /nfs/dbraw/zinc/05/69/46/927056946.db2.gz WBYSLCIUZIKXSQ-ZDUSSCGKSA-N 2 0 255.406 1.176 10 0 CDAERP CC(C)C[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001490390136 927147081 /nfs/dbraw/zinc/14/70/81/927147081.db2.gz KROKESRBQVCOQR-UHFFFAOYSA-N 2 0 293.455 1.709 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH+](C/C=C/Cl)C2CC2)C1 ZINC001490394472 927147495 /nfs/dbraw/zinc/14/74/95/927147495.db2.gz VYRBZFNYIASIIL-DRRGCAIJSA-N 2 0 299.846 1.661 10 0 CDAERP CC(C)N(CC[N@H+](C)CCCF)C(=O)[C@@H]1CCC[NH+]1C ZINC001411188196 927192451 /nfs/dbraw/zinc/19/24/51/927192451.db2.gz WTBLDSKJPNWUGJ-AWEZNQCLSA-N 2 0 287.423 1.609 10 0 CDAERP CC(C)=CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001490645726 927257525 /nfs/dbraw/zinc/25/75/25/927257525.db2.gz WONJJRUKAAIFNO-HUUCEWRRSA-N 2 0 279.428 1.531 10 0 CDAERP CC(C)=CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001490645724 927258745 /nfs/dbraw/zinc/25/87/45/927258745.db2.gz WONJJRUKAAIFNO-CABCVRRESA-N 2 0 279.428 1.531 10 0 CDAERP COC(=O)N(C)CC[N@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000697555274 937283152 /nfs/dbraw/zinc/28/31/52/937283152.db2.gz XEBMCOPSHTXAEN-RYUDHWBXSA-N 2 0 257.378 1.005 10 0 CDAERP C[NH+](C)CCCCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001116786309 937471970 /nfs/dbraw/zinc/47/19/70/937471970.db2.gz JYDXCPOYXKLJCK-UHFFFAOYSA-N 2 0 287.367 1.339 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NCC[N@H+](C)C1CCCC1 ZINC001136716246 931306083 /nfs/dbraw/zinc/30/60/83/931306083.db2.gz RKRIOYKIERLSGZ-ZDUSSCGKSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)C[NH2+]C/C=C\CNC(=O)C[C@H](C)n1ccnc1 ZINC001274404293 931497891 /nfs/dbraw/zinc/49/78/91/931497891.db2.gz LOMHMXGIXHMHLD-WSNITJDQSA-N 2 0 278.400 1.752 10 0 CDAERP C[C@H](C[NH2+]C/C=C\Cl)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001274791096 931576328 /nfs/dbraw/zinc/57/63/28/931576328.db2.gz AHRPYRFQGLRAMK-BJLPKZDCSA-N 2 0 287.835 1.708 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001275638836 931921789 /nfs/dbraw/zinc/92/17/89/931921789.db2.gz RHEGCADDXLIWIC-CYBMUJFWSA-N 2 0 255.406 1.341 10 0 CDAERP CC(C)COCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001275721140 931978433 /nfs/dbraw/zinc/97/84/33/931978433.db2.gz RMXWIBFJWWNUMU-HUUCEWRRSA-N 2 0 299.459 1.047 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N2CCC(C[NH+](C)C)CC2)C1 ZINC001411768444 932006218 /nfs/dbraw/zinc/00/62/18/932006218.db2.gz PIQVOPILECJYQU-INIZCTEOSA-N 2 0 295.471 1.907 10 0 CDAERP C[NH2+]CCCCC(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000719680890 932192423 /nfs/dbraw/zinc/19/24/23/932192423.db2.gz ZRBVIQKJLCDOGQ-CQSZACIVSA-N 2 0 269.433 1.757 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001412509162 932461356 /nfs/dbraw/zinc/46/13/56/932461356.db2.gz XNGRZUVACDXRII-LSDHHAIUSA-N 2 0 281.444 1.659 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H]([NH+](C)C)C2)C1 ZINC001412509159 932461736 /nfs/dbraw/zinc/46/17/36/932461736.db2.gz XNGRZUVACDXRII-GJZGRUSLSA-N 2 0 281.444 1.659 10 0 CDAERP CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925680961 932926390 /nfs/dbraw/zinc/92/63/90/932926390.db2.gz LOFRTUSCZKTRJE-XJFOESAGSA-N 2 0 270.417 1.534 10 0 CDAERP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1cccs1 ZINC000925807278 932940106 /nfs/dbraw/zinc/94/01/06/932940106.db2.gz FEQRMUHYCCRIDT-NSHDSACASA-N 2 0 253.415 1.822 10 0 CDAERP C[C@@H](CC[NH2+]C/C=C/Cl)NC(=O)C12CC[NH+](CC1)C2 ZINC001568698208 1169436226 /nfs/dbraw/zinc/43/62/26/1169436226.db2.gz ATZDJXFLTRWZAA-QSLRECBCSA-N 2 0 285.819 1.319 10 0 CDAERP Cc1oncc1C[NH2+]CC[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001568710065 1169441472 /nfs/dbraw/zinc/44/14/72/1169441472.db2.gz IDCKNOHYQFAHDS-GFCCVEGCSA-N 2 0 294.399 1.063 10 0 CDAERP C[N@H+](CCN[C@H]1C[C@@H]([NH3+])C12CCC2)C1CCCC1 ZINC000405364719 940984724 /nfs/dbraw/zinc/98/47/24/940984724.db2.gz VUVRKDVEFTZALD-KGLIPLIRSA-N 2 0 251.418 1.720 10 0 CDAERP COCC[N@H+](CC1CC[NH+](C)CC1)C[C@H]1CCCC[C@@H]1O ZINC001473703159 970835679 /nfs/dbraw/zinc/83/56/79/970835679.db2.gz YFEJQRNWQDWXKO-SJORKVTESA-N 2 0 298.471 1.828 10 0 CDAERP Cn1cc([C@H]2CCCN(CCC[NH+]3CCCCC3)C2)nn1 ZINC001473875870 970871672 /nfs/dbraw/zinc/87/16/72/970871672.db2.gz BNWIQXTULFSXFA-HNNXBMFYSA-N 2 0 291.443 1.871 10 0 CDAERP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001362123912 970914692 /nfs/dbraw/zinc/91/46/92/970914692.db2.gz GTKPWJOIYHTOIH-HZSPNIEDSA-N 2 0 285.407 1.409 10 0 CDAERP CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CCCF)[NH+](C)C ZINC001281890275 942628444 /nfs/dbraw/zinc/62/84/44/942628444.db2.gz IOSARSOCHNXZLA-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CCC[NH2+]CC1CC(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001282057425 942651199 /nfs/dbraw/zinc/65/11/99/942651199.db2.gz LJOXACNZJGJLGE-HSBZDZAISA-N 2 0 267.417 1.223 10 0 CDAERP CCOCCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001282413048 942709596 /nfs/dbraw/zinc/70/95/96/942709596.db2.gz QDKJQTDWDPGZRO-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP CC[N@@H+]1CCCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001282674846 942738732 /nfs/dbraw/zinc/73/87/32/942738732.db2.gz HZFYCDXHVLUHDT-ZDUSSCGKSA-N 2 0 255.406 1.319 10 0 CDAERP CCN(CC[NH2+]CCF)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001568800386 1169481382 /nfs/dbraw/zinc/48/13/82/1169481382.db2.gz IIIGQXOOJHUGLQ-CQSZACIVSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)=CC[NH2+]C1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001284790102 943260758 /nfs/dbraw/zinc/26/07/58/943260758.db2.gz LRXGBWFGZWRLHR-UHFFFAOYSA-N 2 0 293.455 1.873 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001263872641 944017290 /nfs/dbraw/zinc/01/72/90/944017290.db2.gz RFJYAUSJWHAPBB-IHRRRGAJSA-N 2 0 269.433 1.611 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001263877886 944018180 /nfs/dbraw/zinc/01/81/80/944018180.db2.gz CNFFJLBGWMGKAU-KKUMJFAQSA-N 2 0 283.460 1.857 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC)[C@@H]1CC ZINC001264623909 944153571 /nfs/dbraw/zinc/15/35/71/944153571.db2.gz UADPKZWLHMSDIW-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1CCCCCF ZINC001264714569 944169197 /nfs/dbraw/zinc/16/91/97/944169197.db2.gz YLRFWJOIHBDQBR-QLFBSQMISA-N 2 0 299.434 1.799 10 0 CDAERP CCC[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001265001507 944193460 /nfs/dbraw/zinc/19/34/60/944193460.db2.gz ZDRFABOFVKWLSE-ZDUSSCGKSA-N 2 0 255.406 1.319 10 0 CDAERP COCCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001265290178 944324350 /nfs/dbraw/zinc/32/43/50/944324350.db2.gz KYKSOFDQNAACIB-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001265500339 944410418 /nfs/dbraw/zinc/41/04/18/944410418.db2.gz CJMQLTZPJXWYLC-WKILWMFISA-N 2 0 293.455 1.921 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CC2)C1)[NH+](C)C ZINC001265566768 944431638 /nfs/dbraw/zinc/43/16/38/944431638.db2.gz NIKRSZCDMGBOPF-HZSPNIEDSA-N 2 0 267.417 1.364 10 0 CDAERP C[C@@H](O)CCC[NH2+]C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001265681635 944468374 /nfs/dbraw/zinc/46/83/74/944468374.db2.gz DRVQYCTUGNRZFN-CABCVRRESA-N 2 0 299.459 1.070 10 0 CDAERP CC/C=C/CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001265809019 944516263 /nfs/dbraw/zinc/51/62/63/944516263.db2.gz PVCCTGXNDVPHCD-BUHQSOCUSA-N 2 0 267.417 1.531 10 0 CDAERP CC/C=C\CC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001265809020 944516743 /nfs/dbraw/zinc/51/67/43/944516743.db2.gz PVCCTGXNDVPHCD-HLMASZERSA-N 2 0 267.417 1.531 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001265917377 944571798 /nfs/dbraw/zinc/57/17/98/944571798.db2.gz MGCSYVJBKMCOEJ-ZDUSSCGKSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@@H](O)C[N@H+](C)[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001266116685 944690150 /nfs/dbraw/zinc/69/01/50/944690150.db2.gz LYLRUESGEXWPMF-CABCVRRESA-N 2 0 299.459 1.022 10 0 CDAERP CC[C@@H]1CN(C(=O)[C@@H]2CCCC[C@H]2[NH3+])CC[C@@H]1[NH3+] ZINC001261495066 946142777 /nfs/dbraw/zinc/14/27/77/946142777.db2.gz QNPIVCXZBQMVJU-FVCCEPFGSA-N 2 0 253.390 1.090 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N(C)CC[NH+](C)C2CC2)C1 ZINC001362506219 971350595 /nfs/dbraw/zinc/35/05/95/971350595.db2.gz YDPMMZXWYVRAMV-AWEZNQCLSA-N 2 0 281.444 1.659 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001362535821 971379301 /nfs/dbraw/zinc/37/93/01/971379301.db2.gz QXXHPUPDMLSOMD-GBJTYRQASA-N 2 0 281.444 1.706 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001278415272 947813765 /nfs/dbraw/zinc/81/37/65/947813765.db2.gz GRSZPIWDBOZQLD-GJZGRUSLSA-N 2 0 291.439 1.627 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CCCF)CN1C(=O)C[NH+]1CCCC1 ZINC001278423200 947882433 /nfs/dbraw/zinc/88/24/33/947882433.db2.gz IHTAGBSYEWJHNR-OLZOCXBDSA-N 2 0 271.380 1.021 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C[NH2+]CCC1CCOCC1)[NH+](C)C ZINC001568999487 1169586243 /nfs/dbraw/zinc/58/62/43/1169586243.db2.gz QONKIBGAZQWIAM-UKRRQHHQSA-N 2 0 299.459 1.238 10 0 CDAERP COCC[NH2+]C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)(C)C ZINC001279003456 948558970 /nfs/dbraw/zinc/55/89/70/948558970.db2.gz ZOJGLNFDRSRSMA-KGLIPLIRSA-N 2 0 299.459 1.095 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@H]([NH2+]CC(C)C)C2CC2)CC[N@@H+]1C ZINC001480020661 971541205 /nfs/dbraw/zinc/54/12/05/971541205.db2.gz KHTRLEOSLSINQR-HRCADAONSA-N 2 0 295.471 1.857 10 0 CDAERP COCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001480350826 971683569 /nfs/dbraw/zinc/68/35/69/971683569.db2.gz CQQNPCRQLDIWQI-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CCCF ZINC001480462835 971741430 /nfs/dbraw/zinc/74/14/30/971741430.db2.gz YQFBRKJZJHQAKS-CYBMUJFWSA-N 2 0 287.423 1.705 10 0 CDAERP CC(C)COCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001480517093 971764837 /nfs/dbraw/zinc/76/48/37/971764837.db2.gz ANUFGDBYUSCHFZ-CABCVRRESA-N 2 0 299.459 1.238 10 0 CDAERP CC[C@H](C(=O)N1CC[C@@H](C[NH2+]CCF)C1)[NH+](CC)CC ZINC001480663194 971829415 /nfs/dbraw/zinc/82/94/15/971829415.db2.gz FWHZERHQAQXUBA-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP C[NH+]1CCC(CC(=O)NC[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001363032381 971829539 /nfs/dbraw/zinc/82/95/39/971829539.db2.gz WMHAVUZNQNERHV-HNNXBMFYSA-N 2 0 279.428 1.176 10 0 CDAERP CC[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CCCOC)C1)[NH+](C)C ZINC001480734991 971857147 /nfs/dbraw/zinc/85/71/47/971857147.db2.gz AOWFAMDTIZEPSA-GJZGRUSLSA-N 2 0 299.459 1.286 10 0 CDAERP CCOCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001324641427 953488746 /nfs/dbraw/zinc/48/87/46/953488746.db2.gz KXTGZRGEVVZRQN-GOEBONIOSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001569152331 1169694063 /nfs/dbraw/zinc/69/40/63/1169694063.db2.gz ZHVSODRFKBNJBP-CHWSQXEVSA-N 2 0 255.406 1.031 10 0 CDAERP C[NH2+]CCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC001325312566 953830281 /nfs/dbraw/zinc/83/02/81/953830281.db2.gz ZRHRCLJJSINEJW-KGLIPLIRSA-N 2 0 294.374 1.090 10 0 CDAERP C[C@H]1COCCN1CC[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC001363813002 953845393 /nfs/dbraw/zinc/84/53/93/953845393.db2.gz OAIIAMLXINEVKM-INIZCTEOSA-N 2 0 295.471 1.515 10 0 CDAERP CCN1CC[C@@H]1C(=O)N1CCCC[C@@H]1[C@@H](C)C[NH+](C)C ZINC001364176324 954288410 /nfs/dbraw/zinc/28/84/10/954288410.db2.gz CUXBHHNQHRAITR-RRFJBIMHSA-N 2 0 281.444 1.659 10 0 CDAERP Cc1cn2cc(NC(=O)C[NH2+]CC(C)C)ccc2n1 ZINC001326420691 954374720 /nfs/dbraw/zinc/37/47/20/954374720.db2.gz HEVAUGHCLCYSTH-UHFFFAOYSA-N 2 0 260.341 1.827 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]CCCF)CC[N@@H+]1C ZINC001326713356 954504940 /nfs/dbraw/zinc/50/49/40/954504940.db2.gz DLJHPYXHGKYPCS-RBSFLKMASA-N 2 0 299.434 1.657 10 0 CDAERP C[N@H+](CC(=O)NCC1([NH2+]CCCF)CCC1)C1CCC1 ZINC001326833911 954579760 /nfs/dbraw/zinc/57/97/60/954579760.db2.gz BQYAMMXXLOZMNG-UHFFFAOYSA-N 2 0 285.407 1.459 10 0 CDAERP [NH3+]C[C@H]1CCc2ccccc2N1C[C@@H]1CCC[NH2+]C1 ZINC001327595724 954953777 /nfs/dbraw/zinc/95/37/77/954953777.db2.gz BNXKWJKAQYGYNW-UKRRQHHQSA-N 2 0 259.397 1.766 10 0 CDAERP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3CCC[C@@]4(CCOC4)O3)C[C@@H]2C1 ZINC001363293011 972060016 /nfs/dbraw/zinc/06/00/16/972060016.db2.gz IFMLBQDMBDAGMM-TWMKSMIVSA-N 2 0 294.439 1.598 10 0 CDAERP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3CCC[C@]4(CCOC4)O3)C[C@@H]2C1 ZINC001363293014 972060582 /nfs/dbraw/zinc/06/05/82/972060582.db2.gz IFMLBQDMBDAGMM-YYIAUSFCSA-N 2 0 294.439 1.598 10 0 CDAERP CN(CC[NH2+]C/C=C/Cl)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001493589128 972086521 /nfs/dbraw/zinc/08/65/21/972086521.db2.gz DHDFTAMEVVEYJF-RFHLNLMPSA-N 2 0 299.846 1.804 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)c2cc(CN(C)C)on2)C1 ZINC001491734875 955399770 /nfs/dbraw/zinc/39/97/70/955399770.db2.gz PUTJLPWGBYJFNA-LBPRGKRZSA-N 2 0 294.399 1.340 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001421564158 955412278 /nfs/dbraw/zinc/41/22/78/955412278.db2.gz WJVPATOSKPPUCI-CABCVRRESA-N 2 0 283.460 1.667 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)C1 ZINC001363359094 972111929 /nfs/dbraw/zinc/11/19/29/972111929.db2.gz VWWYGINTSKWQRG-UXLLHSPISA-N 2 0 293.455 1.661 10 0 CDAERP CCCCC[NH2+][C@@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001492112460 955632396 /nfs/dbraw/zinc/63/23/96/955632396.db2.gz BNIVJBOGSOEFEV-AWEZNQCLSA-N 2 0 281.444 1.757 10 0 CDAERP CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001492129861 955640592 /nfs/dbraw/zinc/64/05/92/955640592.db2.gz SXAWOFDSSBTPFL-STQMWFEESA-N 2 0 255.406 1.365 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+]Cc1ccccc1 ZINC001493807000 972116883 /nfs/dbraw/zinc/11/68/83/972116883.db2.gz STYIBICWOJZKNS-UHFFFAOYSA-N 2 0 277.412 1.575 10 0 CDAERP CC(C)CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001422133030 955766272 /nfs/dbraw/zinc/76/62/72/955766272.db2.gz NYQBFYKUROQHCC-HUUCEWRRSA-N 2 0 283.460 1.715 10 0 CDAERP CC[NH2+][C@@H](CNC(=O)C[N@H+](C)C(C)C)c1ccccc1 ZINC001493903591 972135445 /nfs/dbraw/zinc/13/54/45/972135445.db2.gz AKIJSQHSFOKVHG-HNNXBMFYSA-N 2 0 277.412 1.794 10 0 CDAERP CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001329442194 955919989 /nfs/dbraw/zinc/91/99/89/955919989.db2.gz RAXXIVPMQFGPRI-CHWSQXEVSA-N 2 0 255.406 1.316 10 0 CDAERP C[C@H]([NH3+])CN1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC001329701271 956072641 /nfs/dbraw/zinc/07/26/41/956072641.db2.gz HROYUJGVFXMAFZ-GZBFAFLISA-N 3 0 253.434 1.953 10 0 CDAERP CCCCC[C@@H]1CCCC[N@@H+]1CC(=O)N1CC[NH2+]CC1 ZINC001329925655 956182988 /nfs/dbraw/zinc/18/29/88/956182988.db2.gz LJKKZRFZNVUNIW-OAHLLOKOSA-N 2 0 281.444 1.853 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@H](C[NH2+]CCC(F)(F)F)C1 ZINC001317337202 956190145 /nfs/dbraw/zinc/19/01/45/956190145.db2.gz XGXGAPJHIYZSKD-LLVKDONJSA-N 2 0 295.349 1.329 10 0 CDAERP Cc1ccncc1C[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001422614270 956193772 /nfs/dbraw/zinc/19/37/72/956193772.db2.gz JBQZQJQMSBMIPB-CQSZACIVSA-N 2 0 290.411 1.080 10 0 CDAERP CC[NH2+]CC1(NC(=O)C[N@H+](C)C2CCC2)CCCCC1 ZINC001422675810 956248651 /nfs/dbraw/zinc/24/86/51/956248651.db2.gz ZQZWOVONMFIRSU-UHFFFAOYSA-N 2 0 281.444 1.899 10 0 CDAERP CC(C)[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CC2)C1)[NH+](C)C ZINC001365858214 956409800 /nfs/dbraw/zinc/40/98/00/956409800.db2.gz MEPJVMZFGWALFD-XHSDSOJGSA-N 2 0 295.471 1.857 10 0 CDAERP CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CC[NH+](C)C)C(C)(C)[C@H]21 ZINC001365878301 956419625 /nfs/dbraw/zinc/41/96/25/956419625.db2.gz UKSAELNDHYFSON-SNPRPXQTSA-N 2 0 281.444 1.563 10 0 CDAERP C[C@H](C[N@H+](C)CC1CCCC1)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001422881265 956420572 /nfs/dbraw/zinc/42/05/72/956420572.db2.gz WNMYEXKAUTURQT-HUUCEWRRSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H](NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001423028884 956522693 /nfs/dbraw/zinc/52/26/93/956522693.db2.gz OZJHAOJLAFNVOB-GJZGRUSLSA-N 2 0 299.434 1.561 10 0 CDAERP CC[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)[NH+](C)C ZINC001366138624 956596266 /nfs/dbraw/zinc/59/62/66/956596266.db2.gz ZGTIPBAYLHXXQA-JALIKCBVSA-N 2 0 297.443 1.085 10 0 CDAERP CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]21 ZINC001423354983 956734751 /nfs/dbraw/zinc/73/47/51/956734751.db2.gz GKURJTZWUKQCHL-QLFBSQMISA-N 2 0 293.455 1.565 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)[NH2+]CCC(C)(C)C)[NH+](C)C ZINC001366349241 956762483 /nfs/dbraw/zinc/76/24/83/956762483.db2.gz AUHICNAHYJMZEV-CHWSQXEVSA-N 2 0 271.449 1.857 10 0 CDAERP CC1CC(C[NH2+]C[C@H]2CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001366404046 956797786 /nfs/dbraw/zinc/79/77/86/956797786.db2.gz RIPNVYRBNIYBTJ-SHARSMKWSA-N 2 0 281.444 1.422 10 0 CDAERP CC(C)[N@H+](C)C[C@@H](O)CN(C)C(=O)CCC[NH+]1CCCC1 ZINC001423548574 956846122 /nfs/dbraw/zinc/84/61/22/956846122.db2.gz WVSMBJSIXCUVMC-OAHLLOKOSA-N 2 0 299.459 1.022 10 0 CDAERP CC[N@@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@H]1C ZINC001316788126 957018118 /nfs/dbraw/zinc/01/81/18/957018118.db2.gz UPGNIBNJTJHLIY-MCIONIFRSA-N 2 0 267.417 1.460 10 0 CDAERP CCOCCC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001316953249 957149242 /nfs/dbraw/zinc/14/92/42/957149242.db2.gz KJLXIONDZLTAIQ-HNNXBMFYSA-N 2 0 299.459 1.334 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CC=C(C)C)C1 ZINC001316953060 957150161 /nfs/dbraw/zinc/15/01/61/957150161.db2.gz JFMABFAGNJLLSL-HNNXBMFYSA-N 2 0 281.444 1.875 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001317064267 957239220 /nfs/dbraw/zinc/23/92/20/957239220.db2.gz IOOPFLOAWILIHT-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H](NCc2ccon2)C1 ZINC001317091561 957264851 /nfs/dbraw/zinc/26/48/51/957264851.db2.gz ZJLFKWOXDHBKLG-HDJSIYSDSA-N 2 0 294.399 1.143 10 0 CDAERP CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]CCF)C1)[NH+](C)C ZINC001317158012 957311838 /nfs/dbraw/zinc/31/18/38/957311838.db2.gz OXJKCKATAOZIJJ-OLZOCXBDSA-N 2 0 273.396 1.124 10 0 CDAERP CC[C@@H](C(=O)NCC1C[NH+](CC2CC(C)(C)C2)C1)[NH+](C)C ZINC001366980569 957315563 /nfs/dbraw/zinc/31/55/63/957315563.db2.gz AVTGATGXICTBOO-HNNXBMFYSA-N 2 0 295.471 1.811 10 0 CDAERP CC[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1CCCOC)[NH+](C)C ZINC001317177061 957321825 /nfs/dbraw/zinc/32/18/25/957321825.db2.gz GKRYLEJPVUSNTP-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP C[C@H]1[C@H]([NH2+]CCCF)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001331927818 957341385 /nfs/dbraw/zinc/34/13/85/957341385.db2.gz GWPBBDREAGAKJQ-QWHCGFSZSA-N 2 0 283.391 1.021 10 0 CDAERP CCN(C(=O)C[NH+]1CC[C@H](C)C1)[C@H]1CC[N@H+](CCCF)C1 ZINC001367070954 957385189 /nfs/dbraw/zinc/38/51/89/957385189.db2.gz KXPVAFYZKUWZLP-GJZGRUSLSA-N 2 0 299.434 1.611 10 0 CDAERP CC(C)CCC[NH2+][C@@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001317280910 957401190 /nfs/dbraw/zinc/40/11/90/957401190.db2.gz ALQFCIVVELAQDX-LSDHHAIUSA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)OCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001332024545 957405833 /nfs/dbraw/zinc/40/58/33/957405833.db2.gz FARSXNQKHINLQS-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP CC[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001332116033 957439005 /nfs/dbraw/zinc/43/90/05/957439005.db2.gz GSUPOVBSZZTIOU-UKRRQHHQSA-N 2 0 267.417 1.460 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001317456407 957488412 /nfs/dbraw/zinc/48/84/12/957488412.db2.gz JZRNKDMZCPYULZ-CHWSQXEVSA-N 2 0 255.406 1.175 10 0 CDAERP CC1CC(C[N@@H+]2C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C2)C1 ZINC001425312209 957512286 /nfs/dbraw/zinc/51/22/86/957512286.db2.gz URDTZTJGOJLFTR-YMAMQOFZSA-N 2 0 295.471 1.811 10 0 CDAERP CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001425337240 957515970 /nfs/dbraw/zinc/51/59/70/957515970.db2.gz BPSWUVPFJGQKGB-QKDCVEJESA-N 2 0 279.428 1.032 10 0 CDAERP CC[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC)C[C@H]21)[NH+](CC)CC ZINC001425360928 957518839 /nfs/dbraw/zinc/51/88/39/957518839.db2.gz OVQHZXLLHNKNTC-XQLPTFJDSA-N 2 0 281.444 1.421 10 0 CDAERP CN(CC[NH2+]CCF)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001317614687 957598664 /nfs/dbraw/zinc/59/86/64/957598664.db2.gz OLSGMIUESWHDAX-UHFFFAOYSA-N 2 0 287.423 1.659 10 0 CDAERP CN(CC[NH2+]CCCC1CCC1)C(=O)C[NH+]1CCCC1 ZINC001317660399 957628196 /nfs/dbraw/zinc/62/81/96/957628196.db2.gz CNZPBLOIYSGHMV-UHFFFAOYSA-N 2 0 281.444 1.711 10 0 CDAERP COCC[NH2+]C[C@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)C ZINC001332899455 957924512 /nfs/dbraw/zinc/92/45/12/957924512.db2.gz PTCKRFGBZLKWKK-ZDUSSCGKSA-N 2 0 287.448 1.094 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1([NH2+]CCF)CCCC1 ZINC001367330446 957938258 /nfs/dbraw/zinc/93/82/58/957938258.db2.gz MODKIQWMSVXXSZ-ZIAGYGMSSA-N 2 0 299.434 1.847 10 0 CDAERP CC(C)C[C@@H](C[NH2+]C(C)C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001367423691 958005585 /nfs/dbraw/zinc/00/55/85/958005585.db2.gz KIQGYOSUXBRQQL-GJZGRUSLSA-N 2 0 283.460 1.857 10 0 CDAERP CC(C)[NH2+]CC[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001367637209 958161707 /nfs/dbraw/zinc/16/17/07/958161707.db2.gz JNDDPLCSHHIFDT-AWEZNQCLSA-N 2 0 281.444 1.755 10 0 CDAERP CCN(C(=O)C[NH+]1CC[C@H](C)C1)[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001494910262 972334657 /nfs/dbraw/zinc/33/46/57/972334657.db2.gz MFPBHDLICLEHRS-GOEBONIOSA-N 2 0 293.455 1.661 10 0 CDAERP CC(C)[N@H+]1CC=C(CNC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001333406749 958317144 /nfs/dbraw/zinc/31/71/44/958317144.db2.gz QERDRLVOARHMDO-AWEZNQCLSA-N 2 0 279.428 1.485 10 0 CDAERP CCC[N@H+](C)CCC(=O)NCC1=CC[NH+](CCC)CC1 ZINC001333433320 958333928 /nfs/dbraw/zinc/33/39/28/958333928.db2.gz MNAFKLPSOHSCBQ-UHFFFAOYSA-N 2 0 281.444 1.877 10 0 CDAERP O=C(CC[NH+]1CCCCC1)NCC1=CCN(CCF)CC1 ZINC001333458496 958354291 /nfs/dbraw/zinc/35/42/91/958354291.db2.gz QVVHHECUKOQJLV-UHFFFAOYSA-N 2 0 297.418 1.580 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001367951221 958513928 /nfs/dbraw/zinc/51/39/28/958513928.db2.gz MLCKSOPRRNOERU-CQSZACIVSA-N 2 0 281.444 1.707 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCCF ZINC001368051413 958604580 /nfs/dbraw/zinc/60/45/80/958604580.db2.gz GHTBFNCMGDQREP-GASCZTMLSA-N 2 0 299.434 1.753 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCF)C[C@@H]1C ZINC001368102791 958640194 /nfs/dbraw/zinc/64/01/94/958640194.db2.gz HUMOMNGOZSHVTA-QWHCGFSZSA-N 2 0 273.396 1.265 10 0 CDAERP CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001319593029 958643666 /nfs/dbraw/zinc/64/36/66/958643666.db2.gz LOLBQDCUOHCKNT-UONOGXRCSA-N 2 0 269.433 1.563 10 0 CDAERP CCC[NH2+]C1(CNC(=O)COC2CC[NH+](C)CC2)CCC1 ZINC001368486684 958893358 /nfs/dbraw/zinc/89/33/58/958893358.db2.gz HCALYKCXYCIGJK-UHFFFAOYSA-N 2 0 297.443 1.136 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C(C)(C)C1 ZINC001368668616 959026538 /nfs/dbraw/zinc/02/65/38/959026538.db2.gz OFZRNABTHQKHPR-KGLIPLIRSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H](NC(=[NH2+])NCCC1CC[NH+](C)CC1)C1CC1 ZINC001334364586 959059150 /nfs/dbraw/zinc/05/91/50/959059150.db2.gz IKVKGQLYBFRHGL-LLVKDONJSA-N 2 0 252.406 1.631 10 0 CDAERP COc1ccc(CC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)cn1 ZINC001334390564 959078290 /nfs/dbraw/zinc/07/82/90/959078290.db2.gz NLYIUTTZUXVWKP-QWHCGFSZSA-N 2 0 261.369 1.492 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CN(C)CCO1 ZINC001368814514 959151413 /nfs/dbraw/zinc/15/14/13/959151413.db2.gz OUAGCWBDLRPNRO-GJZGRUSLSA-N 2 0 297.443 1.040 10 0 CDAERP CC(C)(C(=O)NC/C=C\C[NH2+]CCCF)[NH+]1CCCCC1 ZINC001321065719 959568203 /nfs/dbraw/zinc/56/82/03/959568203.db2.gz WBSDFLMQFLSEFH-PLNGDYQASA-N 2 0 299.434 1.873 10 0 CDAERP CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1cncs1)[NH+](C)C ZINC001369258864 959586820 /nfs/dbraw/zinc/58/68/20/959586820.db2.gz HCUNAKUTFADHBC-WCQYABFASA-N 2 0 298.456 1.420 10 0 CDAERP Cc1oncc1CN1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001369845952 959893241 /nfs/dbraw/zinc/89/32/41/959893241.db2.gz VRJLZAIYWFBNKZ-AWEZNQCLSA-N 2 0 294.399 1.015 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]CC1CC(C)C1 ZINC001321757241 959935165 /nfs/dbraw/zinc/93/51/65/959935165.db2.gz ZOPGQEFPWQOTJE-ROKHWSDSSA-N 2 0 269.433 1.467 10 0 CDAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CCCF ZINC001321841999 959979639 /nfs/dbraw/zinc/97/96/39/959979639.db2.gz KDQPOXJSDZCPPO-QWHCGFSZSA-N 2 0 273.396 1.313 10 0 CDAERP CCCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001321867572 959995210 /nfs/dbraw/zinc/99/52/10/959995210.db2.gz PUHPFPZZGWIZFX-UONOGXRCSA-N 2 0 269.433 1.755 10 0 CDAERP COCC[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001322088714 960078063 /nfs/dbraw/zinc/07/80/63/960078063.db2.gz LYMZSBWDVGWZEE-GJZGRUSLSA-N 2 0 299.459 1.238 10 0 CDAERP CCCC[NH2+]CC[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001495381158 972485014 /nfs/dbraw/zinc/48/50/14/972485014.db2.gz SILIGPLKVWMSHY-OAHLLOKOSA-N 2 0 283.460 1.957 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001370661709 960177583 /nfs/dbraw/zinc/17/75/83/960177583.db2.gz CXQBKGWJLIFJBP-RWMBFGLXSA-N 2 0 273.396 1.313 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH+](C)C)CC1 ZINC001433667549 960498807 /nfs/dbraw/zinc/49/88/07/960498807.db2.gz WGPSFEQQHZBLMM-INIZCTEOSA-N 2 0 295.471 1.907 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2C[C@]3(C)C[NH+](C)C[C@]3(C)C2)C1 ZINC001418714445 960937583 /nfs/dbraw/zinc/93/75/83/960937583.db2.gz RQWQMSGJKLOZDO-BMFZPTHFSA-N 2 0 279.428 1.128 10 0 CDAERP C[NH+](C)C1(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CC3)C2)CCC1 ZINC001418715485 960939394 /nfs/dbraw/zinc/93/93/94/960939394.db2.gz PKUOTVIBNNNSKO-LSDHHAIUSA-N 2 0 293.455 1.755 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001324221876 961241364 /nfs/dbraw/zinc/24/13/64/961241364.db2.gz NJXDXNAJJPNNFF-AWEZNQCLSA-N 2 0 267.417 1.485 10 0 CDAERP c1cc(N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc[nH+]1 ZINC001337710259 961376200 /nfs/dbraw/zinc/37/62/00/961376200.db2.gz SISAUECCTCILQJ-CABCVRRESA-N 2 0 261.369 1.559 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CC12CC[NH+](CCC1CC1)CC2 ZINC001419215438 961512455 /nfs/dbraw/zinc/51/24/55/961512455.db2.gz YFQAAOIRGRXKDZ-HNNXBMFYSA-N 2 0 293.455 1.709 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)[NH2+]CC1CC1 ZINC001419276737 961575020 /nfs/dbraw/zinc/57/50/20/961575020.db2.gz VKMBFHZOLUWZJK-CABCVRRESA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCF)C1)[NH+]1CCCCC1 ZINC001419515651 961779195 /nfs/dbraw/zinc/77/91/95/961779195.db2.gz GQOIDADKHIAXRE-ZNMIVQPWSA-N 2 0 299.434 1.703 10 0 CDAERP CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1ncccc1C)[NH+](C)C ZINC001419766732 962087962 /nfs/dbraw/zinc/08/79/62/962087962.db2.gz FJKDOLPCWJPODM-UKRRQHHQSA-N 2 0 292.427 1.325 10 0 CDAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]CC1CCC1 ZINC001419820987 962132076 /nfs/dbraw/zinc/13/20/76/962132076.db2.gz OVTWWSBSYOMWAQ-HIFRSBDPSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@H](F)C[NH2+][C@@H]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001436415156 962241015 /nfs/dbraw/zinc/24/10/15/962241015.db2.gz JCGYBHWJTPIIFE-MELADBBJSA-N 2 0 287.423 1.561 10 0 CDAERP Cc1cccnc1C[NH2+][C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001419940542 962259951 /nfs/dbraw/zinc/25/99/51/962259951.db2.gz SNGIUQMWCUPFGT-CQSZACIVSA-N 2 0 292.427 1.325 10 0 CDAERP CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CC[C@@H](C)F)C1)[NH+](C)C ZINC001436870932 962467887 /nfs/dbraw/zinc/46/78/87/962467887.db2.gz QLJCTKGXOQETSK-RDBSUJKOSA-N 2 0 287.423 1.511 10 0 CDAERP Cc1conc1C[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001436907794 962491240 /nfs/dbraw/zinc/49/12/40/962491240.db2.gz YMMKXVIAZKIOAC-JOCQHMNTSA-N 2 0 294.399 1.062 10 0 CDAERP C[N@H+](C/C=C\Cl)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001437356720 962827781 /nfs/dbraw/zinc/82/77/81/962827781.db2.gz IEXMEOLXXGEZLK-BRLPQQTGSA-N 2 0 299.846 1.758 10 0 CDAERP Cc1cc(C[NH2+][C@H](C)CCNC(=O)[C@@H]2CCC[N@@H+]2C)no1 ZINC001437379119 962851096 /nfs/dbraw/zinc/85/10/96/962851096.db2.gz YFMSFXPKYPLSJD-RISCZKNCSA-N 2 0 294.399 1.062 10 0 CDAERP CC[C@H](C[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1)OC ZINC001437995621 963278959 /nfs/dbraw/zinc/27/89/59/963278959.db2.gz WXAWNURSWHGIPK-HUUCEWRRSA-N 2 0 299.459 1.143 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001420882429 963328374 /nfs/dbraw/zinc/32/83/74/963328374.db2.gz FDFGJAUYXRAJNE-GJZGRUSLSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)(C)CC[NH+]1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001438162341 963347034 /nfs/dbraw/zinc/34/70/34/963347034.db2.gz PVAOJBLRCUFOQV-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP CC1(C)CC(C[NH+]2CC(CNC(=O)C[NH+]3CCCC3)C2)C1 ZINC001438160648 963348231 /nfs/dbraw/zinc/34/82/31/963348231.db2.gz LZASGERUJQHICF-UHFFFAOYSA-N 2 0 293.455 1.566 10 0 CDAERP CO[C@H](C)C[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001420953032 963382778 /nfs/dbraw/zinc/38/27/78/963382778.db2.gz PTCWJPSOXCDESN-CABCVRRESA-N 2 0 299.459 1.142 10 0 CDAERP CCCC[NH+]1CC(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001421190142 963492817 /nfs/dbraw/zinc/49/28/17/963492817.db2.gz KBJQGMVOQVONHE-MRXNPFEDSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCC2CC2)[C@@H](C)C1 ZINC001438782475 963548440 /nfs/dbraw/zinc/54/84/40/963548440.db2.gz ZVKFBVDDMSXUJF-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP Cc1ccc(C[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C)cc1 ZINC001439247626 963690704 /nfs/dbraw/zinc/69/07/04/963690704.db2.gz ZDQQMPYNQVDJKC-AWEZNQCLSA-N 2 0 277.412 1.541 10 0 CDAERP CC[C@H](F)C[N@H+](C)C[C@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001439334881 963727646 /nfs/dbraw/zinc/72/76/46/963727646.db2.gz XUNVLEWNKQPTAX-STQMWFEESA-N 2 0 287.423 1.655 10 0 CDAERP C[C@@H](F)CC[N@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001439364714 963739469 /nfs/dbraw/zinc/73/94/69/963739469.db2.gz OBQNUARXJSUHPL-CHWSQXEVSA-N 2 0 287.423 1.513 10 0 CDAERP COCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001439378515 963744747 /nfs/dbraw/zinc/74/47/47/963744747.db2.gz KEDQYMRPUVLKFE-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)CC[N@H+](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001439397526 963749306 /nfs/dbraw/zinc/74/93/06/963749306.db2.gz HNKHZNPKSFFGBX-CQSZACIVSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)[NH+](C)CC(=O)N[C@H](C)C[N@H+](C)CC[C@@H]1CCCO1 ZINC001439412632 963756562 /nfs/dbraw/zinc/75/65/62/963756562.db2.gz WWSNYKBMDDYKMG-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP COCC[N@@H+]1CC[C@](C)(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001439859512 963883756 /nfs/dbraw/zinc/88/37/56/963883756.db2.gz OFVHTCPQHQOAKG-ZBFHGGJFSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)C[NH2+][C@H]1CCCCCN(C(=O)CC[NH+](C)C)C1 ZINC001440469160 964066925 /nfs/dbraw/zinc/06/69/25/964066925.db2.gz DTLDBUVJFWWUSD-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[N@@H+](C)CC[C@H](C)F ZINC001440962446 964292729 /nfs/dbraw/zinc/29/27/29/964292729.db2.gz KMIDIZILUPGBIS-QWHCGFSZSA-N 2 0 287.423 1.513 10 0 CDAERP CC(C)CC[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001441356002 964475491 /nfs/dbraw/zinc/47/54/91/964475491.db2.gz AMPUVPACUSCLKZ-INIZCTEOSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnoc2C)C1 ZINC001441520169 964571184 /nfs/dbraw/zinc/57/11/84/964571184.db2.gz NHUXATITXJMLFN-OKILXGFUSA-N 2 0 294.399 1.062 10 0 CDAERP CC(C)OCC[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001441579348 964598869 /nfs/dbraw/zinc/59/88/69/964598869.db2.gz WOKHSIPXLAPMHD-HNNXBMFYSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@@H](O)C[NH2+][C@@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001441870930 964758386 /nfs/dbraw/zinc/75/83/86/964758386.db2.gz KOXVSRUMJVNOIT-QWHCGFSZSA-N 2 0 299.459 1.115 10 0 CDAERP C[C@H](O)C[NH2+][C@@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001441870933 964759893 /nfs/dbraw/zinc/75/98/93/964759893.db2.gz KOXVSRUMJVNOIT-STQMWFEESA-N 2 0 299.459 1.115 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCF)[C@@H]2C1 ZINC001441881565 964766732 /nfs/dbraw/zinc/76/67/32/964766732.db2.gz UORSBIRMPRHSSE-RRFJBIMHSA-N 2 0 299.434 1.514 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)C1 ZINC001442558949 965115334 /nfs/dbraw/zinc/11/53/34/965115334.db2.gz MVJRWRQGQIGYNL-ARFHVFGLSA-N 2 0 293.455 1.804 10 0 CDAERP CC[N@H+](CCNC(=O)CC[NH+](C)C)CCC(C)(C)C ZINC001442717689 965189277 /nfs/dbraw/zinc/18/92/77/965189277.db2.gz BDAXAXRARGNHNJ-UHFFFAOYSA-N 2 0 271.449 1.812 10 0 CDAERP C[NH+](C)CC[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001558292206 965258959 /nfs/dbraw/zinc/25/89/59/965258959.db2.gz FSTLPYMNHVOMOW-KGLIPLIRSA-N 2 0 267.417 1.271 10 0 CDAERP COC[C@@H](C)[N@@H+]1CC[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001443276112 965422956 /nfs/dbraw/zinc/42/29/56/965422956.db2.gz WGZRZYSZJQVYEH-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP C[NH+](C)CCc1cccc(C(=O)N[C@@H]2CCC[N@H+](C)C2)c1 ZINC001443705320 965568793 /nfs/dbraw/zinc/56/87/93/965568793.db2.gz VQSQFABLQQYDNL-MRXNPFEDSA-N 2 0 289.423 1.615 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001445558680 966240044 /nfs/dbraw/zinc/24/00/44/966240044.db2.gz YABUMVFDNBACFL-NWDGAFQWSA-N 2 0 273.396 1.313 10 0 CDAERP CCC(CC)[NH2+]CCNC(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001349517307 966374029 /nfs/dbraw/zinc/37/40/29/966374029.db2.gz IKRNWKPKYLOKDW-AEGPPILISA-N 2 0 296.459 1.404 10 0 CDAERP CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001446535489 966573459 /nfs/dbraw/zinc/57/34/59/966573459.db2.gz JUBVJDZJKZDYAD-HIFRSBDPSA-N 2 0 287.423 1.657 10 0 CDAERP C[NH2+][C@H](C)CCN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC001350955236 966808896 /nfs/dbraw/zinc/80/88/96/966808896.db2.gz IFGTVMXUOAQNSF-BPLDGKMQSA-N 2 0 253.434 1.742 10 0 CDAERP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)[NH2+]CC1CCCC1 ZINC001447929340 966931599 /nfs/dbraw/zinc/93/15/99/966931599.db2.gz LWFMNXPQXXARGU-UONOGXRCSA-N 2 0 293.455 1.755 10 0 CDAERP CCN1CC[C@@H]1C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC001539000038 967078861 /nfs/dbraw/zinc/07/88/61/967078861.db2.gz NCEMKPQKOKGKMA-OAHLLOKOSA-N 2 0 281.444 1.851 10 0 CDAERP C[C@H]1C[C@H]([NH2+]CCC2CC2)CN1C(=O)CCC[NH+](C)C ZINC001449035142 967343077 /nfs/dbraw/zinc/34/30/77/967343077.db2.gz UWLLPTIUVVSGIX-ZFWWWQNUSA-N 2 0 281.444 1.707 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H](C)C1CC[NH+](CCOC)CC1 ZINC001449348912 967439866 /nfs/dbraw/zinc/43/98/66/967439866.db2.gz ACGRBXCKBJQWEI-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)C[NH+](C)[C@@H]1CCC[C@H]1O ZINC001453977491 968406150 /nfs/dbraw/zinc/40/61/50/968406150.db2.gz PYYXYNBYDHECRE-ZIAGYGMSSA-N 2 0 299.459 1.068 10 0 CDAERP C[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CCC1 ZINC001457819885 969224913 /nfs/dbraw/zinc/22/49/13/969224913.db2.gz KLNBQALQJJSSLY-STQMWFEESA-N 2 0 267.417 1.365 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NCc1ccccc1C[NH+](C)C ZINC001464891369 969831152 /nfs/dbraw/zinc/83/11/52/969831152.db2.gz OULBQIXJENFFEU-CQSZACIVSA-N 2 0 291.439 1.952 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@H]([NH+]3CCC3)C2)C1 ZINC001470340980 970319788 /nfs/dbraw/zinc/31/97/88/970319788.db2.gz PVPKACQYBVYXCH-HUUCEWRRSA-N 2 0 279.428 1.413 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+]Cc1ccsc1 ZINC001495810386 972647094 /nfs/dbraw/zinc/64/70/94/972647094.db2.gz AMEDSBGYCMBNQL-ZDUSSCGKSA-N 2 0 297.468 1.930 10 0 CDAERP Cc1cnc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)o1 ZINC001497156834 973217502 /nfs/dbraw/zinc/21/75/02/973217502.db2.gz YCJVJXMUDNJOHV-DGCLKSJQSA-N 2 0 294.399 1.062 10 0 CDAERP CCOCCC[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001569653830 1169956742 /nfs/dbraw/zinc/95/67/42/1169956742.db2.gz WFMBLMBIWSATRY-INIZCTEOSA-N 2 0 297.443 1.089 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC[N@@H+]1C ZINC001417659102 973249665 /nfs/dbraw/zinc/24/96/65/973249665.db2.gz WQEOJQKRAXFPJW-TUVASFSCSA-N 2 0 281.444 1.706 10 0 CDAERP CC[NH2+]C/C=C\CNC(=O)C[NH+]1CCC(C)CC1 ZINC001497715004 973475461 /nfs/dbraw/zinc/47/54/61/973475461.db2.gz RQJKMKNOCSLZDY-PLNGDYQASA-N 2 0 253.390 1.000 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001417944804 973488386 /nfs/dbraw/zinc/48/83/86/973488386.db2.gz KZMPGHKPOHRLEA-AWEZNQCLSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001418078628 973570195 /nfs/dbraw/zinc/57/01/95/973570195.db2.gz XAAPCHFKAIBKRQ-AJNGGQMLSA-N 2 0 299.434 1.846 10 0 CDAERP CC[C@H](F)C[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001373863706 973669629 /nfs/dbraw/zinc/66/96/29/973669629.db2.gz ZIERUPSYOLQJGK-KGLIPLIRSA-N 2 0 299.434 1.705 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001418233818 973685779 /nfs/dbraw/zinc/68/57/79/973685779.db2.gz AZOLYYOWUZDZOM-ZQDZILKHSA-N 2 0 281.444 1.563 10 0 CDAERP C[C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccccc1 ZINC001418398263 973798299 /nfs/dbraw/zinc/79/82/99/973798299.db2.gz VJNYYPPWPXQCKD-ZBFHGGJFSA-N 2 0 289.423 1.765 10 0 CDAERP COCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001498327735 973831530 /nfs/dbraw/zinc/83/15/30/973831530.db2.gz YVDKPXLLMVBNLU-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)C[NH2+]C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001498851283 974079096 /nfs/dbraw/zinc/07/90/96/974079096.db2.gz VVNQREOTCFXVKE-ZFWWWQNUSA-N 2 0 281.444 1.469 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCF ZINC001499891276 974325587 /nfs/dbraw/zinc/32/55/87/974325587.db2.gz BHYDGPCOLMRHSU-KGLIPLIRSA-N 2 0 285.407 1.409 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cscn2)C1 ZINC001375501332 974406195 /nfs/dbraw/zinc/40/61/95/974406195.db2.gz MNDDVBQEXPEXLS-TXEJJXNPSA-N 2 0 296.440 1.079 10 0 CDAERP CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001500498414 974445666 /nfs/dbraw/zinc/44/56/66/974445666.db2.gz IWGXYKLFTPFBSM-FMKPAKJESA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001376510490 974678649 /nfs/dbraw/zinc/67/86/49/974678649.db2.gz IKUGHZDIMVJHJC-OKILXGFUSA-N 2 0 283.460 2.000 10 0 CDAERP CC[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)[NH+](C)C ZINC001376644072 974703204 /nfs/dbraw/zinc/70/32/04/974703204.db2.gz WWXZVWNMTCKDAW-QMIVOQANSA-N 2 0 281.444 1.419 10 0 CDAERP C[C@@H](F)CC[NH2+]C1(C)CCN(C(=O)Cn2ccnc2)CC1 ZINC001502811583 974788167 /nfs/dbraw/zinc/78/81/67/974788167.db2.gz YJDPLZPWWNJIMW-CYBMUJFWSA-N 2 0 296.390 1.602 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001376884795 974803256 /nfs/dbraw/zinc/80/32/56/974803256.db2.gz UUYXKKNEPCOZOP-ZDUSSCGKSA-N 2 0 295.402 1.760 10 0 CDAERP CCOCC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001505801467 974991759 /nfs/dbraw/zinc/99/17/59/974991759.db2.gz JHAYJUPBZBYANU-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001505922109 975043687 /nfs/dbraw/zinc/04/36/87/975043687.db2.gz HFFFOAFTDDBRBG-JHJVBQTASA-N 2 0 255.406 1.173 10 0 CDAERP CC(C)CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001505945891 975055312 /nfs/dbraw/zinc/05/53/12/975055312.db2.gz IMBYECGVTGPUEI-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH+](C)CC=C(C)C ZINC001506033452 975095415 /nfs/dbraw/zinc/09/54/15/975095415.db2.gz IBXDFOJPDBOIPV-AWEZNQCLSA-N 2 0 269.433 1.731 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)Cc1ccccn1 ZINC001378017748 975208502 /nfs/dbraw/zinc/20/85/02/975208502.db2.gz FTCROVPXOCOZNQ-ZFWWWQNUSA-N 2 0 290.411 1.112 10 0 CDAERP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ocnc1C ZINC001378306361 975324960 /nfs/dbraw/zinc/32/49/60/975324960.db2.gz VBOKTDDIJXXEJI-CHWSQXEVSA-N 2 0 294.399 1.062 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C1C[NH+](CCOC(C)C)C1)[NH+](C)C ZINC001378526518 975377124 /nfs/dbraw/zinc/37/71/24/975377124.db2.gz DQUPVUZGGBCSRU-UKRRQHHQSA-N 2 0 299.459 1.188 10 0 CDAERP CCCC[N@@H+]1CC[C@@H](CCNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001404504822 975412061 /nfs/dbraw/zinc/41/20/61/975412061.db2.gz BXBYHPDKJRMIPX-HZPDHXFCSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@H]1C[C@H]([NH2+]CCCF)CN1C(=O)CC1CC[NH+](C)CC1 ZINC001507328462 975417865 /nfs/dbraw/zinc/41/78/65/975417865.db2.gz VPRZWRNVPZUQDE-ZFWWWQNUSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001378716188 975454337 /nfs/dbraw/zinc/45/43/37/975454337.db2.gz MNXOBHFNNMCBIQ-AWEZNQCLSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)C[C@H](C)C[NH+]1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001404827122 975501863 /nfs/dbraw/zinc/50/18/63/975501863.db2.gz RVPRBGPDNGMKPV-LSDHHAIUSA-N 2 0 295.471 1.811 10 0 CDAERP C[C@@H](F)CC[N@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001378929685 975545071 /nfs/dbraw/zinc/54/50/71/975545071.db2.gz VWTXWJGLTAZKRA-UKRRQHHQSA-N 2 0 299.434 1.752 10 0 CDAERP CC(C)[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]C/C=C/Cl ZINC001378993890 975580507 /nfs/dbraw/zinc/58/05/07/975580507.db2.gz ANIIZRVWJRPROL-YBJDMEARSA-N 2 0 289.851 1.810 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1ccsc1 ZINC001401658887 975766798 /nfs/dbraw/zinc/76/67/98/975766798.db2.gz IEXWQMLRJDLNLO-GFCCVEGCSA-N 2 0 283.441 1.684 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@@H](C[NH2+]CC1CCC1)C1CC1 ZINC001401879605 975968082 /nfs/dbraw/zinc/96/80/82/975968082.db2.gz YXMNAZMGFNEABW-HNNXBMFYSA-N 2 0 279.428 1.367 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001398625679 976079806 /nfs/dbraw/zinc/07/98/06/976079806.db2.gz YTXQGMROBOWRQF-CWVYHPPDSA-N 2 0 295.471 2.000 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCCO2)C1)[NH+](C)C ZINC001398663058 976096564 /nfs/dbraw/zinc/09/65/64/976096564.db2.gz LJXWWJSWJUOBIZ-XGUBFFRZSA-N 2 0 297.443 1.133 10 0 CDAERP CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001379918063 976126923 /nfs/dbraw/zinc/12/69/23/976126923.db2.gz MXKKHHHLQDHXKL-HUUCEWRRSA-N 2 0 299.459 1.020 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@@H+]1CCC1CCCC1 ZINC001380036030 976198718 /nfs/dbraw/zinc/19/87/18/976198718.db2.gz POQMUGKGVHKVSN-INIZCTEOSA-N 2 0 293.455 1.853 10 0 CDAERP CCC[NH2+][C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001402314367 976232716 /nfs/dbraw/zinc/23/27/16/976232716.db2.gz MKDJSFAMUFRIGI-LSDHHAIUSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CCCC1 ZINC001399116388 976348743 /nfs/dbraw/zinc/34/87/43/976348743.db2.gz ODDZGGQULNQPRD-HIFRSBDPSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC1CCCC1 ZINC001399116373 976349769 /nfs/dbraw/zinc/34/97/69/976349769.db2.gz ODDZGGQULNQPRD-DZGCQCFKSA-N 2 0 281.444 1.613 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC2([NH2+]CCF)CC2)C1 ZINC001406986353 976503095 /nfs/dbraw/zinc/50/30/95/976503095.db2.gz HZPZCPQQNCNWAI-STQMWFEESA-N 2 0 285.407 1.315 10 0 CDAERP CC(C)CC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001407095924 976552358 /nfs/dbraw/zinc/55/23/58/976552358.db2.gz RSSNQMPJOPUKQR-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP CC[NH2+]C1(CC)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001381025260 976651066 /nfs/dbraw/zinc/65/10/66/976651066.db2.gz LCBJDVMJXRFNBU-CQSZACIVSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H](CCNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CC1CC1 ZINC001381197622 976715292 /nfs/dbraw/zinc/71/52/92/976715292.db2.gz LRZKROKZGFWBPA-ZFWWWQNUSA-N 2 0 281.444 1.755 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CCF ZINC001381196438 976715562 /nfs/dbraw/zinc/71/55/62/976715562.db2.gz JNJHMVQSKHPGJH-STQMWFEESA-N 2 0 273.396 1.315 10 0 CDAERP CC(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001407660334 976727253 /nfs/dbraw/zinc/72/72/53/976727253.db2.gz QJUUTUUOOZDPOY-LSDHHAIUSA-N 2 0 281.444 1.517 10 0 CDAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)CCC(F)(F)F ZINC001403204647 976812243 /nfs/dbraw/zinc/81/22/43/976812243.db2.gz QGHRNROMNTTXQC-NSHDSACASA-N 2 0 295.349 1.471 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]([NH2+]CC1CC1)c1ccccc1 ZINC001400105185 976854193 /nfs/dbraw/zinc/85/41/93/976854193.db2.gz LYCKALLKKYQSLG-INIZCTEOSA-N 2 0 289.423 1.795 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]([NH2+]CC1CC1)c1ccccc1 ZINC001400105186 976854443 /nfs/dbraw/zinc/85/44/43/976854443.db2.gz LYCKALLKKYQSLG-MRXNPFEDSA-N 2 0 289.423 1.795 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+](C)C)C2 ZINC001408006416 976865892 /nfs/dbraw/zinc/86/58/92/976865892.db2.gz GUOLXTCDUPMBQP-QGZVFWFLSA-N 2 0 295.471 1.909 10 0 CDAERP CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@@H+]([C@@H](C)COC)C1 ZINC001400162227 976902892 /nfs/dbraw/zinc/90/28/92/976902892.db2.gz ZVHNFZKXYNFVNO-GJZGRUSLSA-N 2 0 299.459 1.286 10 0 CDAERP CC(C)CC[NH2+][C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001408096331 976912705 /nfs/dbraw/zinc/91/27/05/976912705.db2.gz CYXPWYBISOZIIP-GJZGRUSLSA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1coc(C)n1)[NH+](C)C ZINC001403387963 976926924 /nfs/dbraw/zinc/92/69/24/976926924.db2.gz ZAQZSRVJFOPYAU-BXUZGUMPSA-N 2 0 296.415 1.308 10 0 CDAERP C[C@@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]CC1CCCC1 ZINC001403464570 976968369 /nfs/dbraw/zinc/96/83/69/976968369.db2.gz HYJKZZYUCHJVJK-AWEZNQCLSA-N 2 0 281.444 1.757 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001408333401 977013511 /nfs/dbraw/zinc/01/35/11/977013511.db2.gz KEJRIHVLTVCXEM-CABCVRRESA-N 2 0 281.444 1.661 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ocnc1C ZINC001403632624 977116117 /nfs/dbraw/zinc/11/61/17/977116117.db2.gz KDHXFVPYZHDRCH-GFCCVEGCSA-N 2 0 296.415 1.261 10 0 CDAERP CCC(CC)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001392047640 977199516 /nfs/dbraw/zinc/19/95/16/977199516.db2.gz DVWQAXNBARLDEU-ZFWWWQNUSA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@H](C(=O)N(C)C1CC([NH2+]C/C=C\Cl)C1)[NH+](C)C ZINC001382578347 977310969 /nfs/dbraw/zinc/31/09/69/977310969.db2.gz KIBHPUGDGREURP-DQSUPVFFSA-N 2 0 287.835 1.658 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001392536056 977474158 /nfs/dbraw/zinc/47/41/58/977474158.db2.gz JLPICXAJGAJGPC-KGLIPLIRSA-N 2 0 287.423 1.705 10 0 CDAERP CC[C@@H](C[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1)OC ZINC001392582946 977494823 /nfs/dbraw/zinc/49/48/23/977494823.db2.gz LXSCPYTYUVXORI-KBPBESRZSA-N 2 0 299.459 1.380 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001392813422 977604376 /nfs/dbraw/zinc/60/43/76/977604376.db2.gz REGVXBGZTXHQQL-DZGCQCFKSA-N 2 0 281.444 1.613 10 0 CDAERP O=C(NCC1([NH2+]C/C=C\Cl)CC1)C12CC[NH+](CC1)C2 ZINC001392948427 977660995 /nfs/dbraw/zinc/66/09/95/977660995.db2.gz KGXHDVMZNRTREN-BHQIHCQQSA-N 2 0 283.803 1.073 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@](C)(C[NH2+]CC3CCC3)C2)C1 ZINC001393171527 977724632 /nfs/dbraw/zinc/72/46/32/977724632.db2.gz VKOAHTREYNGMMW-NVXWUHKLSA-N 2 0 293.455 1.566 10 0 CDAERP CC[C@H](C(=O)NC[C@@]1(O)CC[N@@H+](C(C)C)C1)[NH+](CC)CC ZINC001393282343 977756371 /nfs/dbraw/zinc/75/63/71/977756371.db2.gz XQKVYKKKGYQVNR-ZBFHGGJFSA-N 2 0 299.459 1.068 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001393925779 977967600 /nfs/dbraw/zinc/96/76/00/977967600.db2.gz GRKKWUGUGNFQOD-UONOGXRCSA-N 2 0 283.460 2.000 10 0 CDAERP C[C@@H](CNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH+](C)CC1CC1 ZINC001394131646 978083539 /nfs/dbraw/zinc/08/35/39/978083539.db2.gz NCRKPYNKQQYMPT-BBRMVZONSA-N 2 0 279.428 1.319 10 0 CDAERP CC(C)[NH+](C)CC(=O)NC[C@H]1CCCCC[N@H+]1C[C@H](C)O ZINC001394211873 978106290 /nfs/dbraw/zinc/10/62/90/978106290.db2.gz RISHIEHISOUDKH-LSDHHAIUSA-N 2 0 299.459 1.068 10 0 CDAERP CC[NH2+][C@@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001394568918 978205839 /nfs/dbraw/zinc/20/58/39/978205839.db2.gz VPPPVROOEWFVGP-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CC[NH2+][C@H]1CN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1(C)C ZINC001394715164 978238473 /nfs/dbraw/zinc/23/84/73/978238473.db2.gz IMJWRBVLMBLMNQ-STQMWFEESA-N 2 0 287.423 1.513 10 0 CDAERP CCC[NH+]1CC([C@@H](C)NC(=O)CCCC[NH+](C)C)C1 ZINC001570859659 1170303779 /nfs/dbraw/zinc/30/37/79/1170303779.db2.gz BYNASTJHMBQUHE-CYBMUJFWSA-N 2 0 269.433 1.565 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC[C@@H](C)F)C1)[NH+](C)C ZINC001571162814 1170341671 /nfs/dbraw/zinc/34/16/71/1170341671.db2.gz GFTRPNXYVMOWEK-SYQHCUMBSA-N 2 0 287.423 1.559 10 0 CDAERP C[NH+]1CCC(CC(=O)N[C@H]2C[C@H](C[NH2+]CCCF)C2)CC1 ZINC001571168816 1170342835 /nfs/dbraw/zinc/34/28/35/1170342835.db2.gz VBCOKBIAAWLFHF-SHTZXODSSA-N 2 0 299.434 1.562 10 0 CDAERP C[NH+]1CCC(C(=O)NCCCCc2cc[nH+]c(N)c2)CC1 ZINC001654068941 1171590025 /nfs/dbraw/zinc/59/00/25/1171590025.db2.gz LDYMDHFKKXKFKS-UHFFFAOYSA-N 2 0 290.411 1.445 10 0 CDAERP CC1CC[NH+](CC(=O)N2CCC[C@H]2C[NH+](C)C)CC1 ZINC000354549664 365543716 /nfs/dbraw/zinc/54/37/16/365543716.db2.gz WRQJWCYNQWPIMS-AWEZNQCLSA-N 2 0 267.417 1.271 10 0 CDAERP C[NH+](C)CCOCC[NH2+]C[C@@H](O)CC1CCCC1 ZINC000234248760 342042945 /nfs/dbraw/zinc/04/29/45/342042945.db2.gz LQGMTSDCOHGVSP-AWEZNQCLSA-N 2 0 258.406 1.095 10 0 CDAERP Cn1cc(CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)nn1 ZINC000625262831 342060175 /nfs/dbraw/zinc/06/01/75/342060175.db2.gz GTCLJWFCDPITOJ-BBRMVZONSA-N 2 0 289.427 1.306 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000133395695 342070087 /nfs/dbraw/zinc/07/00/87/342070087.db2.gz LTXXFOUOIVIJOD-CQSZACIVSA-N 2 0 255.406 1.319 10 0 CDAERP CN(CC1C[NH+](C)C1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000618191922 342136715 /nfs/dbraw/zinc/13/67/15/342136715.db2.gz XGMNIPPXVBBFSY-UHFFFAOYSA-N 2 0 281.444 1.519 10 0 CDAERP CCOC(=O)CC[N@H+](C[C@@]1(C)CC[NH2+]C1)C1CC1 ZINC000592430708 342695185 /nfs/dbraw/zinc/69/51/85/342695185.db2.gz BVIYBMZAUKYBOF-AWEZNQCLSA-N 2 0 254.374 1.404 10 0 CDAERP C[C@H]1C[C@H]1C[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000625463575 342171248 /nfs/dbraw/zinc/17/12/48/342171248.db2.gz MGBURORMVQMLGV-JSGCOSHPSA-N 2 0 252.402 1.469 10 0 CDAERP O[C@H]1CC[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC000096949576 185139249 /nfs/dbraw/zinc/13/92/49/185139249.db2.gz RBTYDFXEPABQFU-HNNXBMFYSA-N 2 0 260.381 1.623 10 0 CDAERP COC(=O)CCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000593728697 342829975 /nfs/dbraw/zinc/82/99/75/342829975.db2.gz CPKVKDXQZQGJJT-MCIONIFRSA-N 2 0 284.400 1.300 10 0 CDAERP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CCOCCC[NH3+])c1 ZINC000629398161 361929871 /nfs/dbraw/zinc/92/98/71/361929871.db2.gz NUDSHNUHWGWUCZ-AWEZNQCLSA-N 2 0 293.411 1.667 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCc1ccc(OC)c(F)c1 ZINC000422702911 536594444 /nfs/dbraw/zinc/59/44/44/536594444.db2.gz GLVDRSHDFKIART-CYBMUJFWSA-N 2 0 284.375 1.720 10 0 CDAERP [NH3+]CC1([C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000669377352 539072102 /nfs/dbraw/zinc/07/21/02/539072102.db2.gz NCSINUSLVZIAME-INIZCTEOSA-N 2 0 260.381 1.752 10 0 CDAERP C/C=C\C[NH2+][C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000600709535 342243480 /nfs/dbraw/zinc/24/34/80/342243480.db2.gz KTIDBJSRIVZWCJ-RNZFLTOJSA-N 2 0 254.374 1.474 10 0 CDAERP COC(=O)c1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c(C)o1 ZINC000594615042 342928052 /nfs/dbraw/zinc/92/80/52/342928052.db2.gz OGNCZWALNXZKCE-BJHJDKERSA-N 2 0 280.368 1.804 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000594944672 342980334 /nfs/dbraw/zinc/98/03/34/342980334.db2.gz UQRPQZJNQUMHBX-JHJVBQTASA-N 2 0 268.401 1.506 10 0 CDAERP CC(C)n1ncnc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000631121938 362035058 /nfs/dbraw/zinc/03/50/58/362035058.db2.gz VNCFLWFWYAJJKR-UHFFFAOYSA-N 2 0 277.416 1.823 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1c(C(F)(F)F)cnn1C ZINC000629513002 362122504 /nfs/dbraw/zinc/12/25/04/362122504.db2.gz JTELLIOAWDITBR-YUMQZZPRSA-N 2 0 264.295 1.654 10 0 CDAERP O=C(CC[C@@H]1CCC[NH2+]1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000645106771 362119757 /nfs/dbraw/zinc/11/97/57/362119757.db2.gz IFTBLDLJFSAIIX-SOUVJXGZSA-N 2 0 279.428 1.509 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000629530257 362159169 /nfs/dbraw/zinc/15/91/69/362159169.db2.gz AXPMPKCBSZMWMK-KGLIPLIRSA-N 2 0 280.416 1.272 10 0 CDAERP CCC(CC)[C@H](CN[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)[NH+](C)C ZINC000422961977 282276897 /nfs/dbraw/zinc/27/68/97/282276897.db2.gz DQHXUEUWMNDROK-ULQDDVLXSA-N 2 0 297.487 1.709 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054292482 343791603 /nfs/dbraw/zinc/79/16/03/343791603.db2.gz RXVCMOIMNDQAPX-ZDUSSCGKSA-N 2 0 255.406 1.176 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@@H](C)[NH+](CC)CC ZINC000171038434 362291484 /nfs/dbraw/zinc/29/14/84/362291484.db2.gz RRYKPZQDDCQWHC-ZIAGYGMSSA-N 2 0 286.464 1.746 10 0 CDAERP C[C@H](Cc1ccoc1)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000449299390 362644492 /nfs/dbraw/zinc/64/44/92/362644492.db2.gz AHQURYDYDJXWFM-CQSZACIVSA-N 2 0 279.428 1.826 10 0 CDAERP O=C([C@@H]1CC(F)(F)CN1)N1CCC([NH+]2CCCC2)CC1 ZINC000263292605 362639956 /nfs/dbraw/zinc/63/99/56/362639956.db2.gz VVHBCKITFDXCBI-LBPRGKRZSA-N 2 0 287.354 1.070 10 0 CDAERP CCC1(CC)CC[NH+](C[C@@](O)(C[NH3+])C2CC2)CC1 ZINC000085303344 179011039 /nfs/dbraw/zinc/01/10/39/179011039.db2.gz SCFYNQNYUSFKRH-HNNXBMFYSA-N 2 0 254.418 1.988 10 0 CDAERP C[C@](O)(C[NH3+])CCCN1CC[NH+](C2CCCC2)CC1 ZINC000085302341 179011533 /nfs/dbraw/zinc/01/15/33/179011533.db2.gz VOCWTAZQVJTQQT-OAHLLOKOSA-N 2 0 269.433 1.037 10 0 CDAERP [NH3+][C@H]1CCCC[C@@H]1C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000085368808 179038545 /nfs/dbraw/zinc/03/85/45/179038545.db2.gz PMMGVMWLOICUOY-KBPBESRZSA-N 2 0 265.401 1.058 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCC[C@@H]1[NH3+])c1ccccc1 ZINC000085370697 179040804 /nfs/dbraw/zinc/04/08/04/179040804.db2.gz UAMWPBZUWPNUAY-OWCLPIDISA-N 2 0 289.423 1.923 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000085371020 179041384 /nfs/dbraw/zinc/04/13/84/179041384.db2.gz GZENIKVNGAMNBI-STQMWFEESA-N 2 0 253.390 1.104 10 0 CDAERP C[C@H](CC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)CC(C)(C)C ZINC000584775210 346429884 /nfs/dbraw/zinc/42/98/84/346429884.db2.gz BLXMXBAYRLJENC-CVEARBPZSA-N 2 0 299.503 1.647 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)CN2CC(C)(C)C2)C[C@@H]1C ZINC000569707230 362733566 /nfs/dbraw/zinc/73/35/66/362733566.db2.gz WGKHGXKCRJWHDO-UONOGXRCSA-N 2 0 281.444 1.659 10 0 CDAERP Cc1nc2c(n1[C@@H](CC(C)C)C[NH+](C)C)CC[NH2+]C2 ZINC000085572649 179096946 /nfs/dbraw/zinc/09/69/46/179096946.db2.gz SSEVEBUZQIPOEP-ZDUSSCGKSA-N 2 0 264.417 1.986 10 0 CDAERP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]cn1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000635921853 362749966 /nfs/dbraw/zinc/74/99/66/362749966.db2.gz OHEPOHUYQMVOPQ-QZQCMHJZSA-N 2 0 288.395 1.597 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC000635937568 362784552 /nfs/dbraw/zinc/78/45/52/362784552.db2.gz HOHZOIBEPIDHCD-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612879517 347312770 /nfs/dbraw/zinc/31/27/70/347312770.db2.gz YMKXYMRKCRVVAP-VNHYZAJKSA-N 2 0 282.432 1.301 10 0 CDAERP CC[C@H](CO)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000450442394 362824239 /nfs/dbraw/zinc/82/42/39/362824239.db2.gz WWTKUYVKJPBKOM-IAGOWNOFSA-N 2 0 297.487 1.638 10 0 CDAERP CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623478664 347418640 /nfs/dbraw/zinc/41/86/40/347418640.db2.gz TZUCHZSZDZNFBB-YNEHKIRRSA-N 2 0 267.417 1.364 10 0 CDAERP CCC1(CC)CN([C@H]2C[NH+]3CCC2CC3)CC[NH2+]1 ZINC000086124899 179235867 /nfs/dbraw/zinc/23/58/67/179235867.db2.gz YNIVJUNSDMJTFJ-AWEZNQCLSA-N 2 0 251.418 1.545 10 0 CDAERP C[C@@H](CC[NH+](C)C)N1CC[NH2+]C2(CCCCC2)C1 ZINC000086144728 179237252 /nfs/dbraw/zinc/23/72/52/179237252.db2.gz AGPWLORCVJBICZ-AWEZNQCLSA-N 2 0 253.434 1.935 10 0 CDAERP C[N@@H+]1CCC[C@@H](N2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000086142287 179237537 /nfs/dbraw/zinc/23/75/37/179237537.db2.gz OYJIFWFTVVXPTJ-CVEARBPZSA-N 2 0 259.397 1.727 10 0 CDAERP CC(C)[C@@H]1CN[C@H](C)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086173675 179244798 /nfs/dbraw/zinc/24/47/98/179244798.db2.gz SYDZJAHAOMQGEU-HIFRSBDPSA-N 2 0 253.434 1.647 10 0 CDAERP c1ccc(C[N@H+]2CCCC[C@H]2CNC2=[NH+]CCCN2)cc1 ZINC000066243802 347479194 /nfs/dbraw/zinc/47/91/94/347479194.db2.gz AJVMBGJIKWKTIM-INIZCTEOSA-N 2 0 286.423 1.980 10 0 CDAERP CC(C)[C@H]1C[NH2+][C@H](C2CC2)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223109 179250717 /nfs/dbraw/zinc/25/07/17/179250717.db2.gz PHJMCIUNRPMKCF-VNQPRFMTSA-N 2 0 265.445 1.647 10 0 CDAERP CC[C@@H]1CN([C@@H]2CCC[N@H+](CC)C2)[C@@H](CC)C[NH2+]1 ZINC000086225431 179253856 /nfs/dbraw/zinc/25/38/56/179253856.db2.gz FRMNASBXUBYIDJ-QLFBSQMISA-N 2 0 253.434 1.933 10 0 CDAERP CCC[NH+]1CCC(N2CC(C)(C)[NH2+]C[C@@H]2C)CC1 ZINC000086227324 179254226 /nfs/dbraw/zinc/25/42/26/179254226.db2.gz LKDOAEMQVQBUHO-ZDUSSCGKSA-N 2 0 253.434 1.933 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cccc3n[nH]cc32)C1 ZINC000623560902 347632983 /nfs/dbraw/zinc/63/29/83/347632983.db2.gz WPILMFXQPGQPBX-BJHJDKERSA-N 2 0 258.369 1.993 10 0 CDAERP CCCC[N@H+](C)CC1CCN(C(=O)NC/C=C/C[NH3+])CC1 ZINC000641865659 365950281 /nfs/dbraw/zinc/95/02/81/365950281.db2.gz ZURBLVQZPPQNJK-AATRIKPKSA-N 2 0 296.459 1.655 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000614964312 348287900 /nfs/dbraw/zinc/28/79/00/348287900.db2.gz OLVQTWKTXCPPQW-OAHLLOKOSA-N 2 0 293.455 1.805 10 0 CDAERP CC(C)[NH+]1CCN(CCC[NH2+][C@H](C)[C@@H](C)CO)CC1 ZINC000450738944 362880588 /nfs/dbraw/zinc/88/05/88/362880588.db2.gz OZZLKEDGDOLGEH-LSDHHAIUSA-N 2 0 271.449 1.009 10 0 CDAERP CCCc1nc(N(C)CC[NH+](C)C)sc1C[NH3+] ZINC000104187207 185920785 /nfs/dbraw/zinc/92/07/85/185920785.db2.gz BLZOTNPIENCEHE-UHFFFAOYSA-N 2 0 256.419 1.552 10 0 CDAERP C[C@@H]1CCC[N@H+](CCCCNC(=O)Cn2ccnc2)C1 ZINC000072960660 349142928 /nfs/dbraw/zinc/14/29/28/349142928.db2.gz LNQDXSFKRLVANC-CQSZACIVSA-N 2 0 278.400 1.511 10 0 CDAERP CC(C)[NH2+]CC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000104411438 185991401 /nfs/dbraw/zinc/99/14/01/185991401.db2.gz KNXKKIXKAYKSAP-LSDHHAIUSA-N 2 0 254.418 2.000 10 0 CDAERP CCOC(=O)C[C@H](O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000167009614 362953390 /nfs/dbraw/zinc/95/33/90/362953390.db2.gz MDJULBNUZYDSOR-HNNXBMFYSA-N 2 0 298.427 1.108 10 0 CDAERP Cc1noc(C2CCC([NH2+][C@@H]3CC[NH2+][C@H]3C)CC2)n1 ZINC000629543831 362961789 /nfs/dbraw/zinc/96/17/89/362961789.db2.gz CQZBUYAAHPOJCC-ZHYKRGJUSA-N 2 0 264.373 1.744 10 0 CDAERP CC(C)CO[C@@H]1C[C@@H]([NH2+]CCOCCC[NH3+])C1(C)C ZINC000629541182 362965114 /nfs/dbraw/zinc/96/51/14/362965114.db2.gz XZSFEWXLBFESST-ZIAGYGMSSA-N 2 0 272.433 1.781 10 0 CDAERP CCO[C@H]1C[C@@H]([NH2+]CCOCCC[NH3+])C12CCCC2 ZINC000629540457 362962339 /nfs/dbraw/zinc/96/23/39/362962339.db2.gz UTJNOUXLRXIPQH-KGLIPLIRSA-N 2 0 270.417 1.679 10 0 CDAERP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]CCOCCC[NH3+])C1 ZINC000629540763 362963627 /nfs/dbraw/zinc/96/36/27/362963627.db2.gz XKOAILGGATWSIW-UONOGXRCSA-N 2 0 280.416 1.401 10 0 CDAERP C[C@@H]1C[C@H](C)[N@H+](CCOC2CCOCC2)C[C@H]1C[NH3+] ZINC000629542427 362966248 /nfs/dbraw/zinc/96/62/48/362966248.db2.gz ZHPVNRZFSOSZOG-HZSPNIEDSA-N 2 0 270.417 1.487 10 0 CDAERP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000629554295 362982487 /nfs/dbraw/zinc/98/24/87/362982487.db2.gz HKPLWDYMGIXPDL-QKGCVVFFSA-N 2 0 252.402 1.922 10 0 CDAERP CO[C@@H]1CC[C@@H]2OCC[N@H+](C[C@@H]3CC[NH2+][C@@H](C)C3)[C@H]2C1 ZINC000414711411 366014273 /nfs/dbraw/zinc/01/42/73/366014273.db2.gz RJVYARWLRMXPFP-OTJKEOIZSA-N 2 0 282.428 1.643 10 0 CDAERP CC(C)(C[NH2+]C[C@H](O)C[NH+]1CCCC1)C(F)(F)F ZINC000629578170 363028713 /nfs/dbraw/zinc/02/87/13/363028713.db2.gz NLNURARBXRFBQL-JTQLQIEISA-N 2 0 268.323 1.621 10 0 CDAERP C[N@@H+]1CCCC[C@@H](C[NH2+][C@H]2CCC(=O)NC2(C)C)C1 ZINC000624123723 351429339 /nfs/dbraw/zinc/42/93/39/351429339.db2.gz RKZGLXSPPAYESH-STQMWFEESA-N 2 0 267.417 1.365 10 0 CDAERP O[C@@H](C[NH2+]C[C@@H]1CC12CCSCC2)C[NH+]1CCCC1 ZINC000629580176 363032120 /nfs/dbraw/zinc/03/21/20/363032120.db2.gz NZNOOZAQBUOAKS-KBPBESRZSA-N 2 0 284.469 1.566 10 0 CDAERP [NH3+]C[C@@H]1CCCN(CC[C@H]2CC[NH2+]C2)[C@@H]1C(F)(F)F ZINC000629582123 363046327 /nfs/dbraw/zinc/04/63/27/363046327.db2.gz OANXQNDXFBHCAD-WOPDTQHZSA-N 2 0 279.350 1.588 10 0 CDAERP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CCCC2(CC2)CC1 ZINC000629586371 363054844 /nfs/dbraw/zinc/05/48/44/363054844.db2.gz PZZBAVDZPNJOOS-ZDUSSCGKSA-N 2 0 250.386 1.774 10 0 CDAERP CC1CC[NH+](CCNC(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000333911083 363217099 /nfs/dbraw/zinc/21/70/99/363217099.db2.gz FBCGOLKMSYHBCZ-CQSZACIVSA-N 2 0 282.432 1.160 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1c(C)nn(C(C)(C)C)c1C ZINC000629653162 363253261 /nfs/dbraw/zinc/25/32/61/363253261.db2.gz GUAAQXPMAQFHEY-UHFFFAOYSA-N 2 0 296.459 1.923 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629655166 363257799 /nfs/dbraw/zinc/25/77/99/363257799.db2.gz TZALFQKZMDAZBR-GRYCIOLGSA-N 2 0 281.366 1.819 10 0 CDAERP COc1ccccc1/C=C/C[N@H+](C)CCOCC[NH3+] ZINC000629665548 363304623 /nfs/dbraw/zinc/30/46/23/363304623.db2.gz WRZOSYCGXANGEW-FNORWQNLSA-N 2 0 264.369 1.616 10 0 CDAERP C[C@@H]1C[C@@H](C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC[NH2+]1 ZINC000629669419 363308423 /nfs/dbraw/zinc/30/84/23/363308423.db2.gz XMKWFSHUIXJTKT-BARDWOONSA-N 3 0 251.418 1.306 10 0 CDAERP C(O[C@H]1CC[NH2+]C1)C1CC[NH+](C[C@@H]2CCSC2)CC1 ZINC000629673536 363319702 /nfs/dbraw/zinc/31/97/02/363319702.db2.gz UFJGVHIESLTNRZ-GJZGRUSLSA-N 2 0 284.469 1.830 10 0 CDAERP c1cn(C2CC[NH+](C[C@@H]3CCc4ncnn43)CC2)cn1 ZINC000639512836 363446520 /nfs/dbraw/zinc/44/65/20/363446520.db2.gz COKYZBDRMLGYER-ZDUSSCGKSA-N 2 0 272.356 1.299 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC(=O)NCC(F)(F)F)[C@H]2CCC[C@H]21 ZINC000375898340 283133342 /nfs/dbraw/zinc/13/33/42/283133342.db2.gz RGMUVTPMJKRWGE-OUAUKWLOSA-N 2 0 293.333 1.127 10 0 CDAERP CC(C)[C@H](C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)[NH+]1CCCCC1 ZINC000186800709 356007671 /nfs/dbraw/zinc/00/76/71/356007671.db2.gz WCUVZCFTRJNHTH-RRFJBIMHSA-N 2 0 281.444 1.611 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCC2(O)CCC2)[C@H]2CCC[C@H]21 ZINC000368605792 283135592 /nfs/dbraw/zinc/13/55/92/283135592.db2.gz CEIFSLSOUORHPW-HZSPNIEDSA-N 2 0 252.402 1.754 10 0 CDAERP O=C(C[C@H]1CCC[NH2+]CC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000336415917 356171271 /nfs/dbraw/zinc/17/12/71/356171271.db2.gz ZYFDNWBMUULCES-KBPBESRZSA-N 2 0 265.401 1.073 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3n[nH]cc3C2)[C@H]2CCC[C@H]21 ZINC000353629344 283141282 /nfs/dbraw/zinc/14/12/82/283141282.db2.gz FFPVOLHIZUBIHU-LUYZLQTOSA-N 2 0 274.412 1.729 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@]3(CCOC3)C2)[C@@H]2CCC[C@@H]21 ZINC000353615593 283141709 /nfs/dbraw/zinc/14/17/09/283141709.db2.gz WZPKJBQYFINDTR-JSRQGNBESA-N 2 0 294.439 1.787 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000037821680 356542376 /nfs/dbraw/zinc/54/23/76/356542376.db2.gz FTQOQZGWPAWOSF-JYJNAYRXSA-N 2 0 293.455 1.707 10 0 CDAERP CCNC(=O)N1CC[C@H]([NH2+][C@H](C)C2CC[NH+](C)CC2)C1 ZINC000090411782 538441889 /nfs/dbraw/zinc/44/18/89/538441889.db2.gz CDZYJKITMKDPKA-OCCSQVGLSA-N 2 0 282.432 1.110 10 0 CDAERP CC(C)[C@H](CNc1ccnn1C1C[NH2+]C1)[C@@H](C)[NH3+] ZINC000725258625 538452962 /nfs/dbraw/zinc/45/29/62/538452962.db2.gz VIMDRCDIWODUIC-PWSUYJOCSA-N 2 0 251.378 1.059 10 0 CDAERP CC(C)C(=O)Nc1ncc(CN2CC[C@@H]([NH3+])[C@@H](C)C2)s1 ZINC000725272654 538463705 /nfs/dbraw/zinc/46/37/05/538463705.db2.gz SQLYICGIHRCFMO-CMPLNLGQSA-N 2 0 296.440 1.907 10 0 CDAERP C[C@H](C[NH2+]C[C@@H](O)C[C@](C)(O)C1CC1)C[NH+]1CCCC1 ZINC000634700911 357371377 /nfs/dbraw/zinc/37/13/77/357371377.db2.gz HFOUOKIIFFEREQ-KBMXLJTQSA-N 2 0 284.444 1.220 10 0 CDAERP O[C@@]1(C[NH2+]CCCCF)CCN(Cc2ccccc2)C1 ZINC000634714301 357419337 /nfs/dbraw/zinc/41/93/37/357419337.db2.gz JIKHHBZRRPNBOR-MRXNPFEDSA-N 2 0 280.387 1.963 10 0 CDAERP CCC[NH+]1CCC([NH2+][C@H]2CCC(=O)NC2(C)C)CC1 ZINC000338772380 283321576 /nfs/dbraw/zinc/32/15/76/283321576.db2.gz BVLJVMRNROJSLU-ZDUSSCGKSA-N 2 0 267.417 1.508 10 0 CDAERP CN(C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)C1CC[NH+](C)CC1 ZINC000019478263 358068331 /nfs/dbraw/zinc/06/83/31/358068331.db2.gz SVLFBQQNJLNLKX-QEJZJMRPSA-N 2 0 279.428 1.460 10 0 CDAERP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000019515295 358101774 /nfs/dbraw/zinc/10/17/74/358101774.db2.gz CGSACSKFERGUIF-RDBSUJKOSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@@H](CC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[C@@H]1CCC[NH2+]C1 ZINC000634750319 358235474 /nfs/dbraw/zinc/23/54/74/358235474.db2.gz TZYCKVYFSBJIFZ-HDEZJCGLSA-N 2 0 293.455 1.470 10 0 CDAERP C[C@H]([NH2+]C1CC1)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000566185515 358314787 /nfs/dbraw/zinc/31/47/87/358314787.db2.gz LKVLSUQYFGZWTB-NTZNESFSSA-N 2 0 253.390 1.068 10 0 CDAERP C[C@@H](CNC(=O)NC1CC([NH+]2CCCCC2)C1)[NH+](C)C ZINC000454889905 252373099 /nfs/dbraw/zinc/37/30/99/252373099.db2.gz VTNCRAGQVCJZMF-HSBZDZAISA-N 2 0 282.432 1.253 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000236785439 366410715 /nfs/dbraw/zinc/41/07/15/366410715.db2.gz HDBRVQVYZMGVHZ-KGLIPLIRSA-N 2 0 267.417 1.223 10 0 CDAERP C[NH+](C)CC(=O)N1CC[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000616569304 358567302 /nfs/dbraw/zinc/56/73/02/358567302.db2.gz IEEBZEKQTKPCQJ-UONOGXRCSA-N 2 0 279.359 1.031 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000634771964 358533611 /nfs/dbraw/zinc/53/36/11/358533611.db2.gz PQNKYFQMCMOHMP-ZENOOKHLSA-N 2 0 279.428 1.365 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054291673 358710736 /nfs/dbraw/zinc/71/07/36/358710736.db2.gz RQTQWLSSCVPRAH-KGLIPLIRSA-N 2 0 269.433 1.469 10 0 CDAERP CC(C)C[C@H]([NH3+])C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000236652906 358793767 /nfs/dbraw/zinc/79/37/67/358793767.db2.gz RLOUOBAVPAUPTD-HIFRSBDPSA-N 2 0 297.443 1.072 10 0 CDAERP COC(=O)[C@@H]1CC12CC[NH+](C[C@]1(C)CC[NH2+]C1)CC2 ZINC000261952967 359102824 /nfs/dbraw/zinc/10/28/24/359102824.db2.gz GFYZOBBCKYOCMI-GXTWGEPZSA-N 2 0 266.385 1.261 10 0 CDAERP COC(=O)c1ccc(CN(C)C[C@@]2(C)CC[NH2+]C2)cc1 ZINC000262151639 359139483 /nfs/dbraw/zinc/13/94/83/359139483.db2.gz ZYPYODQYEVNIEO-INIZCTEOSA-N 2 0 276.380 1.905 10 0 CDAERP CC[C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000347165608 359201768 /nfs/dbraw/zinc/20/17/68/359201768.db2.gz LDOWARSJKABMSF-OLZOCXBDSA-N 2 0 257.422 1.467 10 0 CDAERP CCCC[N@H+](C)CC1CC[NH+](C[C@@](C)(O)C(C)=O)CC1 ZINC000347746828 359607501 /nfs/dbraw/zinc/60/75/01/359607501.db2.gz XFBRHHDSSJPYSM-MRXNPFEDSA-N 2 0 284.444 1.770 10 0 CDAERP C[C@@H](CN[C@@H](C)c1c[nH+]ccc1N)C[NH+]1CCCC1 ZINC000422724885 359652215 /nfs/dbraw/zinc/65/22/15/359652215.db2.gz WXEQICVUZAWXCG-STQMWFEESA-N 2 0 262.401 1.877 10 0 CDAERP CO[C@H](CC[NH2+][C@H]1CCC[C@@H]1C[NH3+])C(F)(F)F ZINC000423075498 359748203 /nfs/dbraw/zinc/74/82/03/359748203.db2.gz XCWPYRDAEGFPBM-KXUCPTDWSA-N 2 0 254.296 1.671 10 0 CDAERP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CC[NH2+]1 ZINC000423384019 359785170 /nfs/dbraw/zinc/78/51/70/359785170.db2.gz PSNCTACPOYMDJS-RYPNDVFKSA-N 2 0 251.418 1.589 10 0 CDAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000423458460 359798026 /nfs/dbraw/zinc/79/80/26/359798026.db2.gz GXWUGEBAEPUTMM-RVMXOQNASA-N 2 0 250.390 1.772 10 0 CDAERP C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000423472990 359807316 /nfs/dbraw/zinc/80/73/16/359807316.db2.gz GIJACKPZLNMCJJ-IACUBPJLSA-N 2 0 283.366 1.532 10 0 CDAERP CCC[C@@H](C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)[NH+](C)C ZINC000163311772 359903822 /nfs/dbraw/zinc/90/38/22/359903822.db2.gz RKAVCCYNWUJNJB-CABCVRRESA-N 2 0 281.444 1.661 10 0 CDAERP CNC(=O)CCOC1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000348258270 359944405 /nfs/dbraw/zinc/94/44/05/359944405.db2.gz WHTYFBMILAXETE-CQSZACIVSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)CCC2CC[NH2+]CC2)CC[N@@H+]1C ZINC000237585077 359946031 /nfs/dbraw/zinc/94/60/31/359946031.db2.gz MHGPYHKZSMLRJJ-UKRRQHHQSA-N 2 0 281.444 1.707 10 0 CDAERP COC(=O)CC1CC([NH2+]CCCC[NH+]2CCOCC2)C1 ZINC000424268903 359986542 /nfs/dbraw/zinc/98/65/42/359986542.db2.gz OKVJTNXUYDRFLK-UHFFFAOYSA-N 2 0 284.400 1.030 10 0 CDAERP C[C@H]1C[C@@H](N(C)CC(=O)NC(=O)NC(C)(C)C)CC[N@@H+]1C ZINC000123293977 360606414 /nfs/dbraw/zinc/60/64/14/360606414.db2.gz UNCPQHPNZYPRDU-RYUDHWBXSA-N 2 0 298.431 1.025 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000337997602 360608385 /nfs/dbraw/zinc/60/83/85/360608385.db2.gz SJCVCPSQQUDNFH-VNQPRFMTSA-N 2 0 265.445 1.791 10 0 CDAERP C[C@@H](CNC(=O)N[C@@H]1CC[NH2+][C@H]1C)[N@@H+]1CCC[C@H](C)C1 ZINC000626934919 360654317 /nfs/dbraw/zinc/65/43/17/360654317.db2.gz RGPMQGSHJSYMFD-XDQVBPFNSA-N 2 0 282.432 1.156 10 0 CDAERP C[C@H](CNC(=O)N[C@@H]1CC[NH2+][C@H]1C)C[NH+]1CCCCC1 ZINC000626944531 360683279 /nfs/dbraw/zinc/68/32/79/360683279.db2.gz SPDKRPQSFBTWEK-HZSPNIEDSA-N 2 0 282.432 1.158 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000626941218 360673341 /nfs/dbraw/zinc/67/33/41/360673341.db2.gz ZTRUTEUZLFOCOX-CRWXNKLISA-N 2 0 280.416 1.053 10 0 CDAERP C[C@H]([NH3+])C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000246255132 360832513 /nfs/dbraw/zinc/83/25/13/360832513.db2.gz ISOWHKFBDLPYAA-MHEUCROKSA-N 2 0 279.428 1.493 10 0 CDAERP COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CCn1ccnc1 ZINC000179191745 189176146 /nfs/dbraw/zinc/17/61/46/189176146.db2.gz ZTHVMYSJSDPJRU-RDBSUJKOSA-N 2 0 277.368 1.689 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)C(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000364782413 296025718 /nfs/dbraw/zinc/02/57/18/296025718.db2.gz HVNOOFXFPHMHOQ-WDEREUQCSA-N 2 0 261.369 1.408 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000366177011 361081657 /nfs/dbraw/zinc/08/16/57/361081657.db2.gz BQZCIOGAVCHGFB-KKUMJFAQSA-N 2 0 279.428 1.413 10 0 CDAERP O[C@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)CC1(O)CCC1 ZINC000528387136 361184873 /nfs/dbraw/zinc/18/48/73/361184873.db2.gz LGPFPJIPDQUQCY-GJZGRUSLSA-N 2 0 282.428 1.070 10 0 CDAERP COc1cccc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000339071008 361259531 /nfs/dbraw/zinc/25/95/31/361259531.db2.gz ONIHYFMUTLLCIG-CABCVRRESA-N 2 0 275.396 1.849 10 0 CDAERP COC(=O)[C@@H](C1CC1)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339439960 361508729 /nfs/dbraw/zinc/50/87/29/361508729.db2.gz VBWYCLLDTIYNHW-HIFRSBDPSA-N 2 0 266.385 1.356 10 0 CDAERP CC(C)Oc1ccnc(CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000653829141 412726569 /nfs/dbraw/zinc/72/65/69/412726569.db2.gz ZSTBOMCEQOULIS-LSDHHAIUSA-N 2 0 291.395 1.120 10 0 CDAERP CC[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000336622396 363880731 /nfs/dbraw/zinc/88/07/31/363880731.db2.gz LWYJACFNYUNQEX-DZGCQCFKSA-N 2 0 296.459 1.595 10 0 CDAERP CC1(C)CCC[NH2+][C@@H]1C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000644145059 364001459 /nfs/dbraw/zinc/00/14/59/364001459.db2.gz XDEGIQDFPYAUKC-VXGBXAGGSA-N 2 0 265.401 1.023 10 0 CDAERP Cc1cn[nH]c1C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000352821863 363966281 /nfs/dbraw/zinc/96/62/81/363966281.db2.gz BILRLFUJLZJVSG-UHFFFAOYSA-N 2 0 250.390 1.928 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000457683268 364100444 /nfs/dbraw/zinc/10/04/44/364100444.db2.gz CFNNQCJMTQFIOR-CABCVRRESA-N 2 0 298.475 1.841 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000566438219 370722288 /nfs/dbraw/zinc/72/22/88/370722288.db2.gz NGQYCVPIICZNHX-HUUCEWRRSA-N 2 0 279.428 1.415 10 0 CDAERP C[C@H]([NH3+])CCC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000248885336 364339038 /nfs/dbraw/zinc/33/90/38/364339038.db2.gz ULEAHQPFBFMOEK-MCIONIFRSA-N 2 0 269.433 1.598 10 0 CDAERP C[C@H]1C[C@H](N(C)C(=O)C[NH+](C)C2CCC2)CC[N@@H+]1C ZINC000629963961 364279809 /nfs/dbraw/zinc/27/98/09/364279809.db2.gz YUPQDKZGUZTELI-GXTWGEPZSA-N 2 0 267.417 1.412 10 0 CDAERP C[N@H+](CC(=O)N1CCC2(C1)CC[NH+](C)CC2)C1CCC1 ZINC000629993390 364389381 /nfs/dbraw/zinc/38/93/81/364389381.db2.gz BMSZAAQBALBWED-UHFFFAOYSA-N 2 0 279.428 1.415 10 0 CDAERP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)C12CCOCC2 ZINC000186330318 364552715 /nfs/dbraw/zinc/55/27/15/364552715.db2.gz ZNCPJMFBZIJMGJ-ARFHVFGLSA-N 2 0 296.455 1.892 10 0 CDAERP COC[C@H](C)C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000187077576 364707271 /nfs/dbraw/zinc/70/72/71/364707271.db2.gz CIIFURTYMGXNAG-ZACQAIPSSA-N 2 0 297.487 1.759 10 0 CDAERP O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000220324691 296069182 /nfs/dbraw/zinc/06/91/82/296069182.db2.gz DIBHFRKATMCAOD-FZKCQIBNSA-N 2 0 291.439 1.604 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000580209646 364902110 /nfs/dbraw/zinc/90/21/10/364902110.db2.gz DIEPTQCWKUWEHJ-HZSPNIEDSA-N 2 0 267.417 1.269 10 0 CDAERP [NH2+]=C(NCc1ccccc1)N[C@@H]1CC[N@@H+]2CCC[C@H]12 ZINC000306985227 364932307 /nfs/dbraw/zinc/93/23/07/364932307.db2.gz NADRXYCNMMKLSP-ZIAGYGMSSA-N 2 0 258.369 1.537 10 0 CDAERP CN(CC[NH+]1CCCC1)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000353079808 364953057 /nfs/dbraw/zinc/95/30/57/364953057.db2.gz UYFWVUNTEZTXBE-HNNXBMFYSA-N 2 0 281.444 1.805 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)N1CC[NH+](C)CC1 ZINC000353499425 365258620 /nfs/dbraw/zinc/25/86/20/365258620.db2.gz UETDRABFRAVGFN-VQHPVUNQSA-N 3 0 294.487 1.085 10 0 CDAERP C[NH+](C)CC1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000354375390 365440491 /nfs/dbraw/zinc/44/04/91/365440491.db2.gz AFPUPTLLLYJFLZ-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H](NCCC[NH+]1CCC(C)CC1)[C@@H]1CC[NH2+]C1 ZINC000400411691 366955274 /nfs/dbraw/zinc/95/52/74/366955274.db2.gz UIKGBHOAMDSIDR-LSDHHAIUSA-N 2 0 253.434 1.696 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](C)C1 ZINC000357420341 366986712 /nfs/dbraw/zinc/98/67/12/366986712.db2.gz RSTOETRJHYDLKB-KBPBESRZSA-N 2 0 267.417 1.413 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000626982679 367132196 /nfs/dbraw/zinc/13/21/96/367132196.db2.gz OZRXMIZDJUBKJC-QLFBSQMISA-N 2 0 296.459 1.691 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627038682 367281101 /nfs/dbraw/zinc/28/11/01/367281101.db2.gz RGHMQOZLTFSMMW-FRRDWIJNSA-N 2 0 270.421 1.156 10 0 CDAERP C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCCCCC1 ZINC000357921875 367304507 /nfs/dbraw/zinc/30/45/07/367304507.db2.gz SKINCGBKARAFHN-HOCLYGCPSA-N 2 0 293.455 1.946 10 0 CDAERP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000226390515 367366407 /nfs/dbraw/zinc/36/64/07/367366407.db2.gz KQQRKMYSCOJYJC-OTJKEOIZSA-N 2 0 291.439 1.650 10 0 CDAERP O=C(NCCC[C@@H]1CCC[NH2+]1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627100727 367439803 /nfs/dbraw/zinc/43/98/03/367439803.db2.gz PEOKFICHOJOJTC-QWHCGFSZSA-N 2 0 280.416 1.102 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1CCC([NH+](C)C)CC1 ZINC000627105252 367452638 /nfs/dbraw/zinc/45/26/38/367452638.db2.gz CXMPDSIOJOCZPI-CLRIEMFWSA-N 2 0 282.432 1.299 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000627111585 367462539 /nfs/dbraw/zinc/46/25/39/367462539.db2.gz CJQAMKYKAIJXNK-XGUBFFRZSA-N 2 0 294.443 1.443 10 0 CDAERP C[C@@H]1CN(C)C[C@@H]1[NH2+]CCNC(=O)c1c(F)cccc1F ZINC000358139671 367464069 /nfs/dbraw/zinc/46/40/69/367464069.db2.gz KVXFBXIDWPJVRR-MFKMUULPSA-N 2 0 297.349 1.234 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000627158408 367586194 /nfs/dbraw/zinc/58/61/94/367586194.db2.gz UGTKQFXKWKPGLT-APIJFGDWSA-N 2 0 294.443 1.158 10 0 CDAERP C[C@H](CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000417019792 242272806 /nfs/dbraw/zinc/27/28/06/242272806.db2.gz RFEBJUMNYIUOSK-LXTVHRRPSA-N 2 0 296.459 1.404 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000417025191 242277935 /nfs/dbraw/zinc/27/79/35/242277935.db2.gz XVDUEDQNDMXXOH-CHWSQXEVSA-N 2 0 284.448 1.676 10 0 CDAERP C[C@H]1CC[C@@H](NC(=O)N2CCCC23CC[NH+](C)CC3)C[NH2+]1 ZINC000627203114 367700051 /nfs/dbraw/zinc/70/00/51/367700051.db2.gz UXHWEPBSXVDBGF-UONOGXRCSA-N 2 0 294.443 1.397 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)[C@H](C)C1 ZINC000627200981 367693556 /nfs/dbraw/zinc/69/35/56/367693556.db2.gz DQYIULLXSKRNMA-TUVASFSCSA-N 2 0 296.459 1.499 10 0 CDAERP CCC[NH+](CCC)CCCNC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000417468914 242487873 /nfs/dbraw/zinc/48/78/73/242487873.db2.gz PMZXUPUAJDLESV-KBPBESRZSA-N 2 0 284.448 1.630 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000627244892 367854365 /nfs/dbraw/zinc/85/43/65/367854365.db2.gz SIQOOFKRPHGXAM-QWHCGFSZSA-N 2 0 282.432 1.158 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC1(N(C)C)CC1 ZINC000418112336 242667828 /nfs/dbraw/zinc/66/78/28/242667828.db2.gz GWQGEWLNJGHJFW-UHFFFAOYSA-N 2 0 285.395 1.760 10 0 CDAERP C[C@]1(CNC(=O)NC[C@H]([NH3+])c2ccccc2)CCC[NH2+]C1 ZINC000418456532 243102544 /nfs/dbraw/zinc/10/25/44/243102544.db2.gz TUAOXPVDMFUZAO-HOCLYGCPSA-N 2 0 290.411 1.375 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[C@H]([NH3+])[C@@H]2C)cc1 ZINC000418466841 243112141 /nfs/dbraw/zinc/11/21/41/243112141.db2.gz RWFUPIVKTVOFHT-MJVIPROJSA-N 2 0 276.384 1.337 10 0 CDAERP CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000418596293 243256512 /nfs/dbraw/zinc/25/65/12/243256512.db2.gz ORYCPNIQYQVLEB-HUUCEWRRSA-N 2 0 296.459 1.502 10 0 CDAERP C[C@H]1C[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[N@@H+]1C ZINC000541856959 368688257 /nfs/dbraw/zinc/68/82/57/368688257.db2.gz NBFNAHDKCRTIHD-UONOGXRCSA-N 2 0 290.411 1.507 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CCN2C(=O)c3ccccc3C2=O)CC[NH2+]1 ZINC000414947312 370936256 /nfs/dbraw/zinc/93/62/56/370936256.db2.gz KQBZIJYTGNVGBG-VXGBXAGGSA-N 2 0 287.363 1.013 10 0 CDAERP C[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCCCCF)C2)CC1 ZINC001661342509 1172371935 /nfs/dbraw/zinc/37/19/35/1172371935.db2.gz VMSVAKUFZZBQHF-HNNXBMFYSA-N 2 0 299.434 1.659 10 0 CDAERP CN(CC1CC1)C(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420339728 244110206 /nfs/dbraw/zinc/11/02/06/244110206.db2.gz RKUVXJHHWCZZEH-OAHLLOKOSA-N 2 0 279.428 1.319 10 0 CDAERP CC[NH+](CC)CCn1cc([C@H]([NH3+])C2CCOCC2)nn1 ZINC000630586405 369329676 /nfs/dbraw/zinc/32/96/76/369329676.db2.gz MNNJETAIERMWBM-CQSZACIVSA-N 2 0 281.404 1.046 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)[C@]2(C)CCCC[NH2+]2)CC1 ZINC000136206255 369808916 /nfs/dbraw/zinc/80/89/16/369808916.db2.gz HNYBSBAINRZQIR-INIZCTEOSA-N 2 0 281.444 1.899 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCCCC[NH2+]2)CC[N@@H+]1C ZINC000372497676 370497980 /nfs/dbraw/zinc/49/79/80/370497980.db2.gz REUTYZQRFIRBND-MCIONIFRSA-N 2 0 267.417 1.460 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCN(C)c1ccccc1 ZINC000422810505 245286788 /nfs/dbraw/zinc/28/67/88/245286788.db2.gz NHXQIDSOJQOASU-AWEZNQCLSA-N 2 0 265.401 1.466 10 0 CDAERP C[C@@H]([NH2+]CCOc1ccc(F)cc1F)C1C[NH2+]C1 ZINC000422817085 245294939 /nfs/dbraw/zinc/29/49/39/245294939.db2.gz GQOPKOWZHTZNDC-SECBINFHSA-N 2 0 256.296 1.541 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N2CC[C@H]([NH3+])[C@H](C)C2)CC1 ZINC000417386022 376206105 /nfs/dbraw/zinc/20/61/05/376206105.db2.gz FLCSHZVGRAPYAU-HIFRSBDPSA-N 2 0 296.459 1.487 10 0 CDAERP C[C@@H](O)CC[N@@H+]1CCC[C@@]2(CCC[NH+](CC[C@H](C)O)C2)C1 ZINC000451046389 296172375 /nfs/dbraw/zinc/17/23/75/296172375.db2.gz PAIDUTOZFOPIGD-IXDOHACOSA-N 2 0 298.471 1.706 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)[NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000171268430 371725656 /nfs/dbraw/zinc/72/56/56/371725656.db2.gz ZQSWSBCMCQJXBZ-BARDWOONSA-N 2 0 281.444 1.848 10 0 CDAERP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)[C@H]1C[C@H]1C ZINC000575151060 371763231 /nfs/dbraw/zinc/76/32/31/371763231.db2.gz GRVCSMMSSHIZMX-KFWWJZLASA-N 2 0 253.434 1.648 10 0 CDAERP Cc1[nH+]ccc(NCCCN2CC[NH2+]CC2)c1Cl ZINC000336791817 371875428 /nfs/dbraw/zinc/87/54/28/371875428.db2.gz PDYRCAXWQPZXMM-UHFFFAOYSA-N 2 0 268.792 1.173 10 0 CDAERP CC(C)C[C@H](C[NH3+])NC(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000578363399 372422682 /nfs/dbraw/zinc/42/26/82/372422682.db2.gz LTUKDEWDNVASRX-ZIAGYGMSSA-N 2 0 281.375 1.358 10 0 CDAERP C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C[C@H]1C ZINC000580710611 372667971 /nfs/dbraw/zinc/66/79/71/372667971.db2.gz HCGYIMYMVZMBBC-LVQVYYBASA-N 2 0 283.460 1.009 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H](CO)Cc1ccccc1C ZINC000423053879 245526938 /nfs/dbraw/zinc/52/69/38/245526938.db2.gz BENOFSWTVQQNKR-HZPDHXFCSA-N 2 0 280.412 1.242 10 0 CDAERP CC(C)[NH2+][C@H]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001661694082 1172428023 /nfs/dbraw/zinc/42/80/23/1172428023.db2.gz FXWKDQJGFXBKPZ-GASCZTMLSA-N 2 0 281.444 1.898 10 0 CDAERP COC[C@@H](CC(C)C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415051898 372785076 /nfs/dbraw/zinc/78/50/76/372785076.db2.gz JVWLLMWZVJSIOE-AQFXKWCLSA-N 2 0 297.487 1.854 10 0 CDAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC[NH+](CC)CC ZINC000179291777 372992371 /nfs/dbraw/zinc/99/23/71/372992371.db2.gz SGRJJPMOSOBNRD-HUUCEWRRSA-N 2 0 253.434 1.887 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000340995843 373151044 /nfs/dbraw/zinc/15/10/44/373151044.db2.gz WXSGDIWGAHSFAY-HZPDHXFCSA-N 2 0 293.455 1.948 10 0 CDAERP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C)C1 ZINC000341015774 373179566 /nfs/dbraw/zinc/17/95/66/373179566.db2.gz MWVXVLWJBFGCAP-KBPBESRZSA-N 2 0 282.432 1.206 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000645684762 373238442 /nfs/dbraw/zinc/23/84/42/373238442.db2.gz FFLJBQVOXRBTBO-MELADBBJSA-N 2 0 267.417 1.495 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)CC[N@@H+]1C ZINC000341185638 373451418 /nfs/dbraw/zinc/45/14/18/373451418.db2.gz BOLIZSVLZNAYLZ-RBSFLKMASA-N 2 0 292.427 1.125 10 0 CDAERP O=C1[C@@H]([NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)CCN1C1CCC1 ZINC000631826271 373710645 /nfs/dbraw/zinc/71/06/45/373710645.db2.gz JMBUTBNOJJSDKH-ZBFHGGJFSA-N 2 0 291.439 1.461 10 0 CDAERP COc1ncncc1C[NH2+]C1CCN(c2ccccn2)CC1 ZINC000647171330 541893428 /nfs/dbraw/zinc/89/34/28/541893428.db2.gz GGWCGEKRFPBGQP-UHFFFAOYSA-N 2 0 299.378 1.639 10 0 CDAERP CCC1([NH+]2CCCC2)CC[NH+](C[C@]2(O)CCCOC2)CC1 ZINC000639987707 373904446 /nfs/dbraw/zinc/90/44/46/373904446.db2.gz NPDFCSXOLSUUAP-QGZVFWFLSA-N 2 0 296.455 1.868 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001661818093 1172450583 /nfs/dbraw/zinc/45/05/83/1172450583.db2.gz IPMDDHDRCNRAQJ-HUUCEWRRSA-N 2 0 281.444 1.566 10 0 CDAERP COc1cc2c(cc1OC)[C@H](CCCNC(N)=[NH2+])[NH2+]CC2 ZINC000013410684 374382455 /nfs/dbraw/zinc/38/24/55/374382455.db2.gz FRROOMGFBCWJRP-LBPRGKRZSA-N 2 0 292.383 1.154 10 0 CDAERP CCC[C@@H](C)C[NH+]1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000342758914 374506221 /nfs/dbraw/zinc/50/62/21/374506221.db2.gz XEBANYYMLFOYTQ-OAHLLOKOSA-N 2 0 283.460 1.909 10 0 CDAERP CC(C)[NH+]1CCC([NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)CC1 ZINC000342815015 374601778 /nfs/dbraw/zinc/60/17/78/374601778.db2.gz ONSQKUOGJOZEDC-CABCVRRESA-N 2 0 286.460 1.607 10 0 CDAERP Cn1nc2c(c1C[NH2+]CCCC[NH+](C)C)CCCC2 ZINC000631055789 374756876 /nfs/dbraw/zinc/75/68/76/374756876.db2.gz GUVQYNTUYMTBPK-UHFFFAOYSA-N 2 0 264.417 1.730 10 0 CDAERP C[N@@H+]1CC[C@@H](CNCc2cc[nH]n2)[C@@H]1c1cccnc1 ZINC000328646565 374730787 /nfs/dbraw/zinc/73/07/87/374730787.db2.gz SSBCPPSXWNSRDZ-ZFWWWQNUSA-N 2 0 271.368 1.587 10 0 CDAERP COc1cncc(C[NH2+]CCCC[NH+](C)C)c1C ZINC000631054958 374739587 /nfs/dbraw/zinc/73/95/87/374739587.db2.gz BWQQSUVUFMWEAU-UHFFFAOYSA-N 2 0 251.374 1.830 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCCF)CC1 ZINC000130621945 375315663 /nfs/dbraw/zinc/31/56/63/375315663.db2.gz RJBOXOZKFHZEOX-CQSZACIVSA-N 2 0 257.397 1.448 10 0 CDAERP C[NH2+]C(C)(C)CNC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000415966153 375491199 /nfs/dbraw/zinc/49/11/99/375491199.db2.gz VTEMYFXTXGPYSQ-LLVKDONJSA-N 2 0 291.399 1.017 10 0 CDAERP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000425238590 375508847 /nfs/dbraw/zinc/50/88/47/375508847.db2.gz MRWUXDCGNALXHV-DZKIICNBSA-N 2 0 295.471 1.905 10 0 CDAERP O=C(c1ccc2c(c1)C[NH2+]C2)N1CCC([NH+]2CCCC2)CC1 ZINC000262343331 296233341 /nfs/dbraw/zinc/23/33/41/296233341.db2.gz UOLPYBRICBLZLC-UHFFFAOYSA-N 2 0 299.418 1.990 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000417009607 375714604 /nfs/dbraw/zinc/71/46/04/375714604.db2.gz NSPHISWZBLWVTC-RDBSUJKOSA-N 2 0 282.432 1.110 10 0 CDAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(CCO)CC2)[C@H](C)C1 ZINC000427982467 247223539 /nfs/dbraw/zinc/22/35/39/247223539.db2.gz RGZPGGBTTMOMOF-HZPDHXFCSA-N 2 0 298.471 1.876 10 0 CDAERP C[NH+](C)CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](C/C=C\Cl)C[C@H]21 ZINC001662078133 1172481959 /nfs/dbraw/zinc/48/19/59/1172481959.db2.gz ATLNVCYYBUWYOL-XCDQNVLZSA-N 2 0 299.846 1.517 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H]1CCO ZINC000428459695 247305361 /nfs/dbraw/zinc/30/53/61/247305361.db2.gz ZPRFDDCXWYBBEJ-HNNXBMFYSA-N 2 0 286.379 1.923 10 0 CDAERP CC[N@@H+]1CC[C@H](C[NH2+]CC2(OC)CCOCC2)C1 ZINC000428875786 247376511 /nfs/dbraw/zinc/37/65/11/247376511.db2.gz HGOLGNBJOUUIFJ-CYBMUJFWSA-N 2 0 256.390 1.113 10 0 CDAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC[NH+](CC)CC ZINC000245640462 376126911 /nfs/dbraw/zinc/12/69/11/376126911.db2.gz SGRJJPMOSOBNRD-CABCVRRESA-N 2 0 253.434 1.887 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000638979334 376340664 /nfs/dbraw/zinc/34/06/64/376340664.db2.gz AYENVLYULITLDG-CHWSQXEVSA-N 2 0 267.417 1.175 10 0 CDAERP CNC(=O)c1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000631839245 376686635 /nfs/dbraw/zinc/68/66/35/376686635.db2.gz CJZVAVUOXKEQSG-BXUZGUMPSA-N 2 0 261.369 1.073 10 0 CDAERP CC(C)[C@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CCN1C ZINC000631880551 376768631 /nfs/dbraw/zinc/76/86/31/376768631.db2.gz XXPHYRZLFSPDQD-HUUCEWRRSA-N 2 0 253.434 1.648 10 0 CDAERP CS[C@H]1CC[C@H]1[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000425387782 376991771 /nfs/dbraw/zinc/99/17/71/376991771.db2.gz VSDDGJAABFWISL-KGLIPLIRSA-N 2 0 299.484 1.462 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)N[C@@H]1C[NH+](C(C)C)C[C@H]1C ZINC000247497912 377134665 /nfs/dbraw/zinc/13/46/65/377134665.db2.gz XIULJCAEZCKQSG-ZIAGYGMSSA-N 2 0 284.448 1.355 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC2(C)CC[NH+](C)CC2)CC[N@@H+]1C ZINC000632351196 377324873 /nfs/dbraw/zinc/32/48/73/377324873.db2.gz UHIYWZSURHLNMS-UONOGXRCSA-N 2 0 281.444 1.565 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089460920 483087499 /nfs/dbraw/zinc/08/74/99/483087499.db2.gz KJVKVEPGRMHPSD-KGLIPLIRSA-N 2 0 267.417 1.210 10 0 CDAERP CCC[C@@H](C(=O)Nc1ccn(CC[NH+](C)C)n1)[NH+](C)C ZINC000161849634 377777356 /nfs/dbraw/zinc/77/73/56/377777356.db2.gz CBPRWQGREVATTI-LBPRGKRZSA-N 2 0 281.404 1.114 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000262651441 295248033 /nfs/dbraw/zinc/24/80/33/295248033.db2.gz YBBQKPBLKLUTCI-CYDGBPFRSA-N 2 0 253.390 1.138 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000633465237 378473659 /nfs/dbraw/zinc/47/36/59/378473659.db2.gz LRQUPWUFIWVEMN-MELADBBJSA-N 2 0 267.417 1.269 10 0 CDAERP CN(CCC1CC[NH2+]CC1)[C@@H](C[NH3+])C(F)(F)F ZINC000662330682 412899814 /nfs/dbraw/zinc/89/98/14/412899814.db2.gz AVJOUGNRBGXJFY-JTQLQIEISA-N 2 0 253.312 1.198 10 0 CDAERP CC(C)OCC[N@H+](C)CC1CC[NH+](CCO)CC1 ZINC000069919115 379209186 /nfs/dbraw/zinc/20/91/86/379209186.db2.gz DKIRYVVSDHJGIV-UHFFFAOYSA-N 2 0 258.406 1.048 10 0 CDAERP O=C1CCCN1CC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420346194 296318713 /nfs/dbraw/zinc/31/87/13/296318713.db2.gz XPMMBXWRECMJRI-CQSZACIVSA-N 2 0 265.401 1.073 10 0 CDAERP CC(C)(C[NH+]1CCCC1)NC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655931636 412942079 /nfs/dbraw/zinc/94/20/79/412942079.db2.gz MSSXUADHGYDBKZ-VIFPVBQESA-N 2 0 296.337 1.050 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cccc2c1C[NH2+]C2 ZINC000662387295 412947079 /nfs/dbraw/zinc/94/70/79/412947079.db2.gz KHBKGSGXUWVGEX-CYBMUJFWSA-N 2 0 287.407 1.894 10 0 CDAERP CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655969904 412983272 /nfs/dbraw/zinc/98/32/72/412983272.db2.gz CIZFLLZHVNNCJW-HZSPNIEDSA-N 2 0 284.448 1.341 10 0 CDAERP CC[C@H]([NH2+]C)C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000662414903 412986494 /nfs/dbraw/zinc/98/64/94/412986494.db2.gz HLANJUNZOBCFKF-ZDUSSCGKSA-N 2 0 255.406 1.365 10 0 CDAERP CC[NH+]1CCC(CC[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])CC1 ZINC000422778776 285185156 /nfs/dbraw/zinc/18/51/56/285185156.db2.gz DZJNOHOFTZSNJH-NUEKZKHPSA-N 3 0 283.460 1.450 10 0 CDAERP C[C@H](CNC(=O)C[C@@H]1[NH2+]Cc2ccccc21)[N@H+](C)C1CC1 ZINC000662441815 413023616 /nfs/dbraw/zinc/02/36/16/413023616.db2.gz NITKGGNJQPCFMV-WBMJQRKESA-N 2 0 287.407 1.820 10 0 CDAERP CC1CC(C[N@H+](C)CCNC(=O)C[NH+]2CCCC2)C1 ZINC001663336209 1172673585 /nfs/dbraw/zinc/67/35/85/1172673585.db2.gz XQRPYGYIIXFIRU-UHFFFAOYSA-N 2 0 267.417 1.176 10 0 CDAERP [NH3+]C1CCC(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC000062973433 413042804 /nfs/dbraw/zinc/04/28/04/413042804.db2.gz QNPWDUFQPXWIOU-YMAMQOFZSA-N 2 0 279.428 1.591 10 0 CDAERP CC[C@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)CC[C@@H]1[NH3+] ZINC000648126516 390145398 /nfs/dbraw/zinc/14/53/98/390145398.db2.gz LPKVCZOWTAOXQG-AAEUAGOBSA-N 2 0 276.384 1.347 10 0 CDAERP C[C@H](C(=O)N1CC[C@@H]2C[NH+](C)C[C@H]21)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000646919590 390290607 /nfs/dbraw/zinc/29/06/07/390290607.db2.gz JCXBXSAORMITLT-XLWJZTARSA-N 2 0 279.428 1.410 10 0 CDAERP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](C)[NH2+]C)o1 ZINC000647032369 390367768 /nfs/dbraw/zinc/36/77/68/390367768.db2.gz GNEDIACLVCLSBJ-LLVKDONJSA-N 2 0 267.373 1.459 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC000568210715 390459103 /nfs/dbraw/zinc/45/91/03/390459103.db2.gz IANWKWXHBFZXSR-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP [NH3+]Cc1ccc(-c2noc(C[C@H]3CC[NH2+]C3)n2)cc1 ZINC000647158890 390604058 /nfs/dbraw/zinc/60/40/58/390604058.db2.gz TYUOQMDYQPIQKN-LLVKDONJSA-N 2 0 258.325 1.347 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000237678158 390867526 /nfs/dbraw/zinc/86/75/26/390867526.db2.gz RINCUKOPWUAJAA-MGPQQGTHSA-N 2 0 267.417 1.495 10 0 CDAERP [NH3+][C@H](CC(=O)N[C@@H]1CC[NH2+]C12CCCC2)c1ccccc1 ZINC000648210311 390952924 /nfs/dbraw/zinc/95/29/24/390952924.db2.gz PFPVELCFGCINOU-HUUCEWRRSA-N 2 0 287.407 1.867 10 0 CDAERP CCC[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)[NH+](C)C ZINC000157725174 390927080 /nfs/dbraw/zinc/92/70/80/390927080.db2.gz UAPDRUQIKXVWKJ-RBSFLKMASA-N 2 0 281.444 1.659 10 0 CDAERP C[C@H]1C[NH2+]C[C@H](N(CCC[NH3+])c2cccc(F)c2)C1 ZINC000647548442 390991179 /nfs/dbraw/zinc/99/11/79/390991179.db2.gz AWNUQIIPIFFWOI-IUODEOHRSA-N 2 0 265.376 1.979 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000567910625 391130771 /nfs/dbraw/zinc/13/07/71/391130771.db2.gz AEMVRAJQAQJZSI-RWMBFGLXSA-N 2 0 253.390 1.057 10 0 CDAERP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@H]1C[C@H]1C ZINC000414125700 391110109 /nfs/dbraw/zinc/11/01/09/391110109.db2.gz QINYQXAQPUMAAX-SYQHCUMBSA-N 2 0 267.417 1.208 10 0 CDAERP C[NH+](C)[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)C1CC1 ZINC000353455144 391406276 /nfs/dbraw/zinc/40/62/76/391406276.db2.gz PGVBTEAGACRKDX-KLHDSHLOSA-N 2 0 265.445 1.789 10 0 CDAERP C[NH2+]C[C@H](C)C[NH2+]Cc1cnc2nc(C)cc(C)n12 ZINC000414840288 391393139 /nfs/dbraw/zinc/39/31/39/391393139.db2.gz MYFHEIKOXVECRG-JTQLQIEISA-N 2 0 261.373 1.291 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417822701 391488791 /nfs/dbraw/zinc/48/87/91/391488791.db2.gz XFZWDFSTDSLFFY-AGIUHOORSA-N 2 0 265.401 1.118 10 0 CDAERP C[C@@H]1CC[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000335644883 391461995 /nfs/dbraw/zinc/46/19/95/391461995.db2.gz XBMQZOOFDXPJPO-CIDNJEQPSA-N 2 0 265.445 1.981 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CC[C@@H]1SC ZINC000425357515 391484670 /nfs/dbraw/zinc/48/46/70/391484670.db2.gz QFLLQXBTNXQLAV-AGIUHOORSA-N 2 0 260.447 1.827 10 0 CDAERP [NH3+]CCC[C@H](NC(=O)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000417829375 391498762 /nfs/dbraw/zinc/49/87/62/391498762.db2.gz INFNDFOWUGNIFT-CABCVRRESA-N 2 0 275.396 1.582 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000340377240 391634630 /nfs/dbraw/zinc/63/46/30/391634630.db2.gz IEFLPWSKOQNMJV-DOTOQJQBSA-N 2 0 289.423 1.890 10 0 CDAERP C[C@@H](CC[NH3+])NC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000417534063 391641147 /nfs/dbraw/zinc/64/11/47/391641147.db2.gz NSXMUUMZXMYGDY-RWMBFGLXSA-N 2 0 270.421 1.286 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@H]([NH3+])[C@@H]2C)C1 ZINC000417546753 391651389 /nfs/dbraw/zinc/65/13/89/391651389.db2.gz FTDBTZXZFIPLQS-IHRRRGAJSA-N 2 0 282.432 1.238 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000417547939 391652055 /nfs/dbraw/zinc/65/20/55/391652055.db2.gz HKGCHCGUCIVSJO-RBSFLKMASA-N 2 0 296.459 1.404 10 0 CDAERP C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC000647990811 391671215 /nfs/dbraw/zinc/67/12/15/391671215.db2.gz JTEIKOHAWCRVIQ-DVOMOZLQSA-N 2 0 260.381 1.920 10 0 CDAERP FC1(F)CC[NH2+]C[C@@H]1N[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000414996282 391696194 /nfs/dbraw/zinc/69/61/94/391696194.db2.gz GKBVUMXLHMDHPB-LPWJVIDDSA-N 2 0 273.371 1.494 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000415023255 391727341 /nfs/dbraw/zinc/72/73/41/391727341.db2.gz WJTMTROBVNBTEQ-ZJUUUORDSA-N 2 0 250.371 1.759 10 0 CDAERP CSCC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000362700315 391730608 /nfs/dbraw/zinc/73/06/08/391730608.db2.gz ALCSSURNCGMMSO-KGLIPLIRSA-N 2 0 271.474 1.307 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCCCCC[NH+]1CCCC1 ZINC000418208975 391812508 /nfs/dbraw/zinc/81/25/08/391812508.db2.gz BECDKOMPVQLQBX-KBPBESRZSA-N 2 0 282.432 1.384 10 0 CDAERP C[N@@H+]1CC[C@@]2(CC[NH+](CCC[C@@H]3CCOC3)C2)C1 ZINC000645922465 391982350 /nfs/dbraw/zinc/98/23/50/391982350.db2.gz YKWBALSOSDBGAE-HUUCEWRRSA-N 2 0 252.402 1.831 10 0 CDAERP C(C1CC[NH2+]CC1)[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000261868344 392024241 /nfs/dbraw/zinc/02/42/41/392024241.db2.gz XCWMPGBDQLIRKT-OAHLLOKOSA-N 2 0 252.402 1.879 10 0 CDAERP CC(C)n1nnnc1CN1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000163290540 392100975 /nfs/dbraw/zinc/10/09/75/392100975.db2.gz ZQRNDZCCSUTNIJ-STQMWFEESA-N 2 0 289.387 1.534 10 0 CDAERP CC[NH+](CC)CC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000646382327 392189412 /nfs/dbraw/zinc/18/94/12/392189412.db2.gz RGTMCXQXPLXTGD-LSDHHAIUSA-N 2 0 281.444 1.566 10 0 CDAERP CCOC[C@H](C)[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423063755 392310759 /nfs/dbraw/zinc/31/07/59/392310759.db2.gz PPSZDJKSSQTTMG-QWRGUYRKSA-N 2 0 251.374 1.924 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000423047145 392299571 /nfs/dbraw/zinc/29/95/71/392299571.db2.gz GOULNVOFJFYFDX-MELADBBJSA-N 2 0 272.433 1.922 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+][C@H](CO)C[C@H](O)C(C)(C)C ZINC000423097318 392341305 /nfs/dbraw/zinc/34/13/05/392341305.db2.gz AMTOXCSTAQWGEE-AGIUHOORSA-N 2 0 260.422 1.252 10 0 CDAERP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000423103550 392346155 /nfs/dbraw/zinc/34/61/55/392346155.db2.gz LCQAGCPOTCNCNN-RKDXNWHRSA-N 2 0 259.300 1.898 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CN[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423109029 392351340 /nfs/dbraw/zinc/35/13/40/392351340.db2.gz NDCIHFCALCNZCJ-JYJNAYRXSA-N 2 0 281.444 1.217 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CCO[C@H](C(C)C)C1 ZINC000423154672 392393364 /nfs/dbraw/zinc/39/33/64/392393364.db2.gz PHPZNXGNLATHSS-KKUMJFAQSA-N 2 0 272.433 1.781 10 0 CDAERP C[C@@H]([NH2+]CCC[NH3+])c1ccc(NC(=O)NC2CC2)cc1 ZINC000423175034 392414781 /nfs/dbraw/zinc/41/47/81/392414781.db2.gz CPZLRZGTRCKNOK-LLVKDONJSA-N 2 0 276.384 1.970 10 0 CDAERP C[C@@H]([NH2+]CCC[NH3+])c1ccc(OCc2nccn2C)cc1 ZINC000423174325 392415347 /nfs/dbraw/zinc/41/53/47/392415347.db2.gz AHHYEBRGPAHYED-CYBMUJFWSA-N 2 0 288.395 1.999 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@H](CN)C1CCCCC1 ZINC000423260169 392473538 /nfs/dbraw/zinc/47/35/38/392473538.db2.gz GTJBFLLNHFRIDH-ZIAGYGMSSA-N 2 0 257.422 1.238 10 0 CDAERP C[C@H]1C[C@@H](C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC[NH2+]1 ZINC000645889402 392473729 /nfs/dbraw/zinc/47/37/29/392473729.db2.gz IAOZXZXENMTLCB-RYUDHWBXSA-N 2 0 285.351 1.594 10 0 CDAERP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000646483600 392489728 /nfs/dbraw/zinc/48/97/28/392489728.db2.gz GSLULIQLZIXTSF-KFWWJZLASA-N 2 0 281.444 1.802 10 0 CDAERP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(-n2cnnn2)cc1 ZINC000423387735 392571038 /nfs/dbraw/zinc/57/10/38/392571038.db2.gz IAXVJLAQFKRYMM-SLEUVZQESA-N 2 0 286.383 1.311 10 0 CDAERP [NH3+][C@H](CNC(=O)COC1CCC([NH3+])CC1)c1ccccc1 ZINC000646697060 392666468 /nfs/dbraw/zinc/66/64/68/392666468.db2.gz RBIRUTWABVYURZ-YMAMQOFZSA-N 2 0 291.395 1.089 10 0 CDAERP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)Cc1ccoc1 ZINC000449252000 392731677 /nfs/dbraw/zinc/73/16/77/392731677.db2.gz TZQJXCGVDXLVDK-GJZGRUSLSA-N 2 0 279.428 1.826 10 0 CDAERP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC000449743684 392895142 /nfs/dbraw/zinc/89/51/42/392895142.db2.gz AGZFZBLKUVFIBK-JKSUJKDBSA-N 2 0 297.487 1.807 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CC2)C1 ZINC000494798695 393106627 /nfs/dbraw/zinc/10/66/27/393106627.db2.gz FQOJJDSHRIXMMV-OCCSQVGLSA-N 2 0 265.401 1.071 10 0 CDAERP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000195127782 393065089 /nfs/dbraw/zinc/06/50/89/393065089.db2.gz BVSMQZLXNSKHHS-STQMWFEESA-N 2 0 270.421 1.110 10 0 CDAERP CO[C@H]1C[N@H+](CCCN2CC[NH+](C(C)C)CC2)CC[C@@H]1C ZINC000192841124 393169194 /nfs/dbraw/zinc/16/91/94/393169194.db2.gz FLLHPYLGVXVYCH-IRXDYDNUSA-N 2 0 297.487 1.759 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+][C@@H]2C[C@@H](C)[C@@H]2C)CC1 ZINC000494926227 393132718 /nfs/dbraw/zinc/13/27/18/393132718.db2.gz STURGWRSUDRWAA-QLFBSQMISA-N 2 0 253.434 1.648 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCO)C[C@@H]1C ZINC000452116213 393472639 /nfs/dbraw/zinc/47/26/39/393472639.db2.gz BYWQFQRJXSNWSY-JKSUJKDBSA-N 2 0 283.460 1.248 10 0 CDAERP COC[C@H](CC1CCOCC1)[NH2+][C@H](C)CC[NH+](C)C ZINC000657859192 413062737 /nfs/dbraw/zinc/06/27/37/413062737.db2.gz QPJLJUBJOIBVSS-HIFRSBDPSA-N 2 0 272.433 1.748 10 0 CDAERP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H]2CCCSCC2)C1 ZINC000657870423 413064560 /nfs/dbraw/zinc/06/45/60/413064560.db2.gz DKXNNPVHSBJPHC-KGLIPLIRSA-N 2 0 299.484 1.449 10 0 CDAERP [NH3+]CCCC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000189028286 140106356 /nfs/dbraw/zinc/10/63/56/140106356.db2.gz QWFCYNLBVSBTFT-RISCZKNCSA-N 2 0 297.349 1.265 10 0 CDAERP CN(C(=O)C[C@@H]([NH3+])c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237211059 140251738 /nfs/dbraw/zinc/25/17/38/140251738.db2.gz FQGIPPMDBRAAOA-VFSICIBPSA-N 2 0 287.407 1.818 10 0 CDAERP C[NH+]1CCC(CCNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000252708857 140323173 /nfs/dbraw/zinc/32/31/73/140323173.db2.gz BHDSOUNWISUBNB-XHSDSOJGSA-N 2 0 293.455 1.755 10 0 CDAERP [NH3+][C@@H]1CCC[C@H](Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000656197754 413095736 /nfs/dbraw/zinc/09/57/36/413095736.db2.gz INWLPYJCFRJEAD-NEPJUHHUSA-N 2 0 257.341 1.949 10 0 CDAERP CC(C)OC(=O)CC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420387998 397701839 /nfs/dbraw/zinc/70/18/39/397701839.db2.gz GVBRVQYMIQPMSA-UONOGXRCSA-N 2 0 268.401 1.792 10 0 CDAERP CC(C)OC(=O)CC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420387996 397701935 /nfs/dbraw/zinc/70/19/35/397701935.db2.gz GVBRVQYMIQPMSA-KBPBESRZSA-N 2 0 268.401 1.792 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000651194335 397870942 /nfs/dbraw/zinc/87/09/42/397870942.db2.gz DCRNNWBYJGDNSM-OAHLLOKOSA-N 2 0 298.475 1.557 10 0 CDAERP CC(C)C[N@H+](C)CCCNc1cc(NC[C@@H](C)O)ncn1 ZINC000651364311 397953350 /nfs/dbraw/zinc/95/33/50/397953350.db2.gz ZWMIOGGILFNLJP-CYBMUJFWSA-N 2 0 295.431 1.081 10 0 CDAERP C[NH+](C)CC1CC[NH+](C[C@H]2CCC[C@H](O)C2)CC1 ZINC000386752183 398080238 /nfs/dbraw/zinc/08/02/38/398080238.db2.gz FNCGIVAZDBUFKF-GJZGRUSLSA-N 2 0 254.418 1.811 10 0 CDAERP Cc1cc(C)n(CC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)n1 ZINC000386957869 398087594 /nfs/dbraw/zinc/08/75/94/398087594.db2.gz YOXUEQCDBSQWCA-CVEARBPZSA-N 2 0 276.428 1.964 10 0 CDAERP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000387567498 398128548 /nfs/dbraw/zinc/12/85/48/398128548.db2.gz LWQLZIYIRDSAGB-NWDGAFQWSA-N 2 0 255.406 1.221 10 0 CDAERP COC[C@H](CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)OC ZINC000658084258 413185176 /nfs/dbraw/zinc/18/51/76/413185176.db2.gz XSGLYSZDBNKBOP-BYNSBNAKSA-N 2 0 270.417 1.500 10 0 CDAERP [NH3+][C@H]1CC[C@H](C(=O)N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000091544180 146983631 /nfs/dbraw/zinc/98/36/31/146983631.db2.gz UAWWRVBIIPHCFX-KBPBESRZSA-N 2 0 279.428 1.591 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000175774262 148009385 /nfs/dbraw/zinc/00/93/85/148009385.db2.gz VEBPBFTTYRXSBO-KFWWJZLASA-N 2 0 298.475 1.889 10 0 CDAERP CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000178830646 148093313 /nfs/dbraw/zinc/09/33/13/148093313.db2.gz OPPDTYVQGUIQTL-ZWNOBZJWSA-N 2 0 264.373 1.455 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262101448 149017833 /nfs/dbraw/zinc/01/78/33/149017833.db2.gz ZIQAPYDOGADRCU-FUNVUKJBSA-N 2 0 253.390 1.070 10 0 CDAERP CCC[C@](C)([NH3+])C(=O)N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000262587170 149078652 /nfs/dbraw/zinc/07/86/52/149078652.db2.gz SWVKNNVITVZUFM-MDZLAQPJSA-N 2 0 273.446 1.008 10 0 CDAERP COCC[C@H](COC)[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000311804509 149219641 /nfs/dbraw/zinc/21/96/41/149219641.db2.gz KYDMFYQTNMJTEZ-QLFBSQMISA-N 2 0 272.433 1.938 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]CC1CC1 ZINC001664394955 1172849002 /nfs/dbraw/zinc/84/90/02/1172849002.db2.gz KDZQPWROTCNDGU-CQSZACIVSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@H]1CCCCN1C(=O)C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000335884971 151081483 /nfs/dbraw/zinc/08/14/83/151081483.db2.gz SORCGZJXXZFLHJ-ZDUSSCGKSA-N 2 0 290.411 1.990 10 0 CDAERP C[C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000336219443 151369619 /nfs/dbraw/zinc/36/96/19/151369619.db2.gz YXQUUCZWGFZSEK-GXTWGEPZSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@H]([NH2+]CCCF)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001664467271 1172857316 /nfs/dbraw/zinc/85/73/16/1172857316.db2.gz IJGFARLNAYSMQW-ZFWWWQNUSA-N 2 0 299.434 1.514 10 0 CDAERP COc1ccc(C[NH2+][C@H]2CN(C)C[C@@H]2C)c(OC)c1 ZINC000343477346 152195343 /nfs/dbraw/zinc/19/53/43/152195343.db2.gz OLXLFLACKWPUIU-FZMZJTMJSA-N 2 0 264.369 1.744 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662660019 413262965 /nfs/dbraw/zinc/26/29/65/413262965.db2.gz AUXRBQJWPOECKJ-JTQLQIEISA-N 2 0 280.372 1.083 10 0 CDAERP [NH3+]CCc1cn([C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000656455226 413279834 /nfs/dbraw/zinc/27/98/34/413279834.db2.gz ABYCHLNSHROQQM-OAHLLOKOSA-N 2 0 271.368 1.226 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC(C)(C)C[NH+](C)C ZINC000354307285 156378194 /nfs/dbraw/zinc/37/81/94/156378194.db2.gz ZBBJXWILCXUZFT-CYBMUJFWSA-N 2 0 269.433 1.565 10 0 CDAERP c1c(C[NH2+]C2CCCCC2)nnn1[C@H]1CCC[NH2+]C1 ZINC000656467420 413325375 /nfs/dbraw/zinc/32/53/75/413325375.db2.gz BEODHUMHRGXVCY-AWEZNQCLSA-N 2 0 263.389 1.625 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000662728061 413394073 /nfs/dbraw/zinc/39/40/73/413394073.db2.gz FOADCGZAQYITKS-ZIAGYGMSSA-N 2 0 269.433 1.741 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000362824823 159246382 /nfs/dbraw/zinc/24/63/82/159246382.db2.gz FEWAEYQFZZLMLU-HOCLYGCPSA-N 2 0 295.471 1.907 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662748316 413428010 /nfs/dbraw/zinc/42/80/10/413428010.db2.gz PMNOZJQNKFAQSH-AWEZNQCLSA-N 2 0 293.455 1.851 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662750696 413433534 /nfs/dbraw/zinc/43/35/34/413433534.db2.gz YLWILICLMSNZSY-YNEHKIRRSA-N 2 0 271.380 1.149 10 0 CDAERP CCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001665410190 1172992697 /nfs/dbraw/zinc/99/26/97/1172992697.db2.gz QWTJZTZGTCTHTH-GJZGRUSLSA-N 2 0 281.444 1.804 10 0 CDAERP CC[NH+](CC)CCOc1ccc(CC[NH3+])cc1OC ZINC000011860506 170449130 /nfs/dbraw/zinc/44/91/30/170449130.db2.gz JMLVQPJFWOTOIS-UHFFFAOYSA-N 2 0 266.385 1.917 10 0 CDAERP CC[NH+]1CCN([C@H]2CCc3ccccc3[C@@H]2[NH3+])CC1 ZINC000020260055 171116206 /nfs/dbraw/zinc/11/62/06/171116206.db2.gz JGUWWGISIWAEJN-HOTGVXAUSA-N 2 0 259.397 1.639 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)C[N@H+](C)C(C)C ZINC000653213982 412141547 /nfs/dbraw/zinc/14/15/47/412141547.db2.gz BBTAXASDGNDEDS-UHFFFAOYSA-N 2 0 263.385 1.362 10 0 CDAERP Cc1cc(C[NH3+])cc(NC(=O)c2cc(C(C)(C)[NH3+])no2)c1 ZINC000662820110 413542971 /nfs/dbraw/zinc/54/29/71/413542971.db2.gz QFTBUBJXQDKGKT-UHFFFAOYSA-N 2 0 288.351 1.888 10 0 CDAERP CC(C)N(CC[NH+](C)C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654661170 413552624 /nfs/dbraw/zinc/55/26/24/413552624.db2.gz RZQMKCWAKAJVTO-OKILXGFUSA-N 2 0 284.448 1.308 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662844911 413595033 /nfs/dbraw/zinc/59/50/33/413595033.db2.gz BXXKCMONHZJKHA-CYBMUJFWSA-N 2 0 293.455 1.898 10 0 CDAERP [NH3+][C@H]1C[C@@H](C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)C1 ZINC000662885130 413656320 /nfs/dbraw/zinc/65/63/20/413656320.db2.gz RICLIYOYNRPOBY-SCRDCRAPSA-N 2 0 275.352 1.023 10 0 CDAERP CN(C(=O)C[C@H]1[NH2+]Cc2ccccc21)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000659295005 413686606 /nfs/dbraw/zinc/68/66/06/413686606.db2.gz QMMKWKXLTVHJLC-DOTOQJQBSA-N 2 0 299.418 1.916 10 0 CDAERP [NH3+][C@@H](CCC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)CC1CCCCC1 ZINC000659387032 413769294 /nfs/dbraw/zinc/76/92/94/413769294.db2.gz MGGYPMLBVHQBRP-RRFJBIMHSA-N 2 0 299.434 1.962 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659445175 413829559 /nfs/dbraw/zinc/82/95/59/413829559.db2.gz DXKUJHXMCIAWNJ-QWHCGFSZSA-N 2 0 272.437 1.389 10 0 CDAERP C[C@@H](NC(=O)NC[C@@H]([NH3+])c1ccccc1)c1nccn1C ZINC000659519269 413917893 /nfs/dbraw/zinc/91/78/93/413917893.db2.gz GTUITKAKYDBYHZ-DGCLKSJQSA-N 2 0 287.367 1.480 10 0 CDAERP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+][C@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000665272769 414006056 /nfs/dbraw/zinc/00/60/56/414006056.db2.gz KXABZEPXYWGLIC-VGWMRTNUSA-N 2 0 276.428 1.991 10 0 CDAERP COC1CC(CC[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])C1 ZINC000665229786 413954495 /nfs/dbraw/zinc/95/44/95/413954495.db2.gz CMXKOYQPPPWZKV-MGBPRESASA-N 2 0 256.390 1.143 10 0 CDAERP COC[C@H](CC[NH2+][C@H](C)c1ccc(C[NH3+])nc1C)OC ZINC000665234386 413956885 /nfs/dbraw/zinc/95/68/85/413956885.db2.gz CAMAKUMSGKLUNB-RISCZKNCSA-N 2 0 281.400 1.551 10 0 CDAERP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)[C@@H]1CCC[NH2+]1 ZINC000665233477 413957149 /nfs/dbraw/zinc/95/71/49/413957149.db2.gz ISBNNFNIBGYXGE-YOEHRIQHSA-N 3 0 295.471 1.608 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NCc1ccc(C[NH3+])cc1 ZINC000659557743 413968167 /nfs/dbraw/zinc/96/81/67/413968167.db2.gz SURSZXRAJNJKFI-CQSZACIVSA-N 2 0 278.400 1.318 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000659618741 414027154 /nfs/dbraw/zinc/02/71/54/414027154.db2.gz KBWYMTFQXLDYRF-HUUCEWRRSA-N 2 0 296.459 1.391 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000659619726 414028575 /nfs/dbraw/zinc/02/85/75/414028575.db2.gz SIAVJOKSNUKRRE-QWHCGFSZSA-N 2 0 270.421 1.095 10 0 CDAERP CC(C)[C@@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)N(C)C ZINC000037221299 173040643 /nfs/dbraw/zinc/04/06/43/173040643.db2.gz JGXLCGRAKCQGSV-UKRRQHHQSA-N 2 0 255.450 1.893 10 0 CDAERP C[NH+](C)Cc1ccc(-c2noc(CC3([NH3+])CC3)n2)cc1 ZINC000663250103 414085664 /nfs/dbraw/zinc/08/56/64/414085664.db2.gz BRGLQCDIBHJGHH-UHFFFAOYSA-N 2 0 272.352 1.832 10 0 CDAERP CC[C@@H]1C[C@H]([NH2+]C[C@H](C)N2CC[NH+](CC)CC2)CO1 ZINC000657309219 414148966 /nfs/dbraw/zinc/14/89/66/414148966.db2.gz BWMSJFZBKPSOGE-SOUVJXGZSA-N 2 0 269.433 1.170 10 0 CDAERP CC[C@@H]1C[C@H]([NH2+]CCCC[NH+]2CCOCC2)CO1 ZINC000657312238 414155387 /nfs/dbraw/zinc/15/53/87/414155387.db2.gz GHHGEZBRYDKRNT-UONOGXRCSA-N 2 0 256.390 1.256 10 0 CDAERP c1cc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)n(-c2cc[nH+]cc2)n1 ZINC000657314662 414159504 /nfs/dbraw/zinc/15/95/04/414159504.db2.gz ZEFTZQFGONSGCH-GOEBONIOSA-N 2 0 297.406 1.984 10 0 CDAERP C[N@H+]1CC=C(CNC(=O)NC[C@H]2CC[NH+]2C(C)(C)C)CC1 ZINC000665361582 414106884 /nfs/dbraw/zinc/10/68/84/414106884.db2.gz RZJJXKQZSKBOFO-CQSZACIVSA-N 2 0 294.443 1.420 10 0 CDAERP CC(C)N(CC[NH+](C)C)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000665363046 414114730 /nfs/dbraw/zinc/11/47/30/414114730.db2.gz RESHYIMNOFVXLU-AWEZNQCLSA-N 2 0 298.475 1.841 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CN1C1CC1 ZINC000655806302 414198442 /nfs/dbraw/zinc/19/84/42/414198442.db2.gz URYOGLJHJMAUGY-BHPKHCPMSA-N 2 0 251.418 1.541 10 0 CDAERP CC[C@H](COC)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657371947 414249914 /nfs/dbraw/zinc/24/99/14/414249914.db2.gz ZAMOXDVKHBOXJX-GFCCVEGCSA-N 2 0 260.341 1.782 10 0 CDAERP Cc1c(NC[C@H](C)[NH+](C)C)ncnc1NC[C@H](C)[NH+](C)C ZINC000663439701 414255381 /nfs/dbraw/zinc/25/53/81/414255381.db2.gz UUMOJFWXTKHQRP-RYUDHWBXSA-N 2 0 294.447 1.509 10 0 CDAERP CC[C@@H]1C[C@@H]([NH2+]CC2(O)CC[NH+](C(C)C)CC2)CO1 ZINC000657396742 414283710 /nfs/dbraw/zinc/28/37/10/414283710.db2.gz ACXVKJCNOGLDOM-ZIAGYGMSSA-N 2 0 270.417 1.379 10 0 CDAERP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](CCF)C2)CC1 ZINC000661694139 414283909 /nfs/dbraw/zinc/28/39/09/414283909.db2.gz FGKHZIUICBQDFJ-CQSZACIVSA-N 2 0 299.434 1.659 10 0 CDAERP C[N@H+](CCO[C@H]1CC1(F)F)C[C@@H]1CCC[NH+](C)C1 ZINC000659947884 414287684 /nfs/dbraw/zinc/28/76/84/414287684.db2.gz NTYBYIGQODEIHJ-NEPJUHHUSA-N 2 0 262.344 1.684 10 0 CDAERP C[C@@H](CCC[NH3+])[NH2+]Cc1nc2c(s1)C[NH2+]CC2 ZINC000663496983 414292946 /nfs/dbraw/zinc/29/29/46/414292946.db2.gz KCNCIJSENCPIEW-VIFPVBQESA-N 3 0 254.403 1.006 10 0 CDAERP C[C@@H]([NH3+])[C@H]1CCCN(Cc2nc3c(s2)C[NH2+]CC3)C1 ZINC000663494984 414293062 /nfs/dbraw/zinc/29/30/62/414293062.db2.gz MLCNVYLOSMAHRT-MNOVXSKESA-N 2 0 280.441 1.348 10 0 CDAERP C[C@@H]1C[C@@H](C)N(Cc2nc3c(s2)C[NH2+]CC3)C[C@H]1C[NH3+] ZINC000663496264 414294435 /nfs/dbraw/zinc/29/44/35/414294435.db2.gz FMVNSBXQMILUCQ-IJLUTSLNSA-N 2 0 294.468 1.594 10 0 CDAERP CCN(C(=O)NC1CC[NH+](C2CC2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000663546186 414336075 /nfs/dbraw/zinc/33/60/75/414336075.db2.gz RGNJWWQNXRWBIV-HNNXBMFYSA-N 2 0 294.443 1.349 10 0 CDAERP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cc3n(n2)CCC3)C1 ZINC000657492078 414390773 /nfs/dbraw/zinc/39/07/73/414390773.db2.gz QREUFZPJESVAHK-ZDUSSCGKSA-N 2 0 262.401 1.651 10 0 CDAERP C([NH2+]CC1CC[NH+](C2CCOCC2)CC1)C1CC1 ZINC000657535807 414422153 /nfs/dbraw/zinc/42/21/53/414422153.db2.gz SAEMAXSXPCORKI-UHFFFAOYSA-N 2 0 252.402 1.877 10 0 CDAERP CC[C@H](C)[NH2+]CC(=O)N1CCC([NH+](CC)CC)CC1 ZINC000037827379 173784627 /nfs/dbraw/zinc/78/46/27/173784627.db2.gz WCZMUWQCDOEOCF-ZDUSSCGKSA-N 2 0 269.433 1.707 10 0 CDAERP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C1CCC(F)CC1 ZINC000662000231 414467177 /nfs/dbraw/zinc/46/71/77/414467177.db2.gz KPMUXWXMXOTTCD-XSCHDIRWSA-N 2 0 272.408 1.950 10 0 CDAERP O=C(CC[C@H]1CCC[NH2+]1)NCC[NH+]1CCCCCC1 ZINC000311795733 414404340 /nfs/dbraw/zinc/40/43/40/414404340.db2.gz AWPUKNKZXPDDOF-CQSZACIVSA-N 2 0 267.417 1.511 10 0 CDAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H]3COC[C@@H]3C2)CC1 ZINC000662030050 414476658 /nfs/dbraw/zinc/47/66/58/414476658.db2.gz CTCWOALAZOLPHU-IRXDYDNUSA-N 2 0 295.471 1.371 10 0 CDAERP CC[NH+](CC)CCN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918031 173853828 /nfs/dbraw/zinc/85/38/28/173853828.db2.gz XGYWVBLAKJOMRZ-CABCVRRESA-N 2 0 253.434 1.792 10 0 CDAERP COCCN(Cc1cccs1)C[C@@H]1C[NH2+]CCO1 ZINC000662248620 414583058 /nfs/dbraw/zinc/58/30/58/414583058.db2.gz HTNOAPHXBDBFKD-LBPRGKRZSA-N 2 0 270.398 1.185 10 0 CDAERP c1ccc2c(c1)CCN2CCC[NH2+]C1CC[NH2+]CC1 ZINC000038040781 174041018 /nfs/dbraw/zinc/04/10/18/174041018.db2.gz DWIQLWSSLWOYJR-UHFFFAOYSA-N 2 0 259.397 1.781 10 0 CDAERP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000662310012 414631375 /nfs/dbraw/zinc/63/13/75/414631375.db2.gz GHBRWVKPKXPAGK-ULQDDVLXSA-N 2 0 294.414 1.989 10 0 CDAERP Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]CC2CC[NH2+]CC2)cn1 ZINC000662309991 414631551 /nfs/dbraw/zinc/63/15/51/414631551.db2.gz FSYPNFJVOAYWRS-JKSUJKDBSA-N 2 0 276.428 1.721 10 0 CDAERP c1ccc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000038086745 174097983 /nfs/dbraw/zinc/09/79/83/174097983.db2.gz AAUPZYSWNMBCIF-MRXNPFEDSA-N 2 0 259.397 1.556 10 0 CDAERP C[NH+](C)CCC[C@H]1C[N@H+](CC2(O)CCCC2)CCO1 ZINC000662321376 414639747 /nfs/dbraw/zinc/63/97/47/414639747.db2.gz QWCVAUHHFLPRNZ-AWEZNQCLSA-N 2 0 270.417 1.334 10 0 CDAERP CSCCC[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000040435591 174261391 /nfs/dbraw/zinc/26/13/91/174261391.db2.gz CGIPDDUZOUTIKO-CQSZACIVSA-N 2 0 273.490 1.601 10 0 CDAERP C[C@H]1CCCC[C@@H]1[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508069 174303171 /nfs/dbraw/zinc/30/31/71/174303171.db2.gz CRYJNJSOYDKNGJ-SOUVJXGZSA-N 2 0 279.428 1.461 10 0 CDAERP C[NH+](C)CCCN[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000040671213 174368703 /nfs/dbraw/zinc/36/87/03/174368703.db2.gz HEHJMIFVDAMVFX-KRWDZBQOSA-N 2 0 275.440 1.845 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000040716288 174383680 /nfs/dbraw/zinc/38/36/80/174383680.db2.gz VFWPFXWKOLLSPN-ZDUSSCGKSA-N 2 0 262.357 1.361 10 0 CDAERP CCC[N@H+](CCC(=O)N(C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748701 174393807 /nfs/dbraw/zinc/39/38/07/174393807.db2.gz JLCYYRNCOYRGHE-PBWFPOADSA-N 2 0 267.417 1.460 10 0 CDAERP c1cc(-c2ccc(C[NH2+]C3CC[NH2+]CC3)cc2)n[nH]1 ZINC000040768678 174398612 /nfs/dbraw/zinc/39/86/12/174398612.db2.gz GJPGIBFVYCEDCG-UHFFFAOYSA-N 2 0 256.353 1.918 10 0 CDAERP CC[NH+]1CCC(N(C)c2ccccc2C(N)=[NH2+])CC1 ZINC000042679979 174834633 /nfs/dbraw/zinc/83/46/33/174834633.db2.gz GIVKVIWXGLHDFV-UHFFFAOYSA-N 2 0 260.385 1.891 10 0 CDAERP C[C@H]([NH3+])[C@H](c1ccccn1)N1CCC(C[NH+](C)C)CC1 ZINC000043340468 175014139 /nfs/dbraw/zinc/01/41/39/175014139.db2.gz RDUMOKULZFGLCC-XJKSGUPXSA-N 2 0 276.428 1.744 10 0 CDAERP C[C@@H]([NH3+])[C@@H](N1CCC(C[NH+](C)C)CC1)C(F)(F)F ZINC000043378697 175030753 /nfs/dbraw/zinc/03/07/53/175030753.db2.gz UHOSBQBTDWPQCP-MWLCHTKSSA-N 2 0 267.339 1.538 10 0 CDAERP CC[C@@H]([NH3+])[C@H](N1CCC(C[NH+](C)C)CC1)C(F)(F)F ZINC000043378701 175030857 /nfs/dbraw/zinc/03/08/57/175030857.db2.gz CAXNUMYWXJPORU-NEPJUHHUSA-N 2 0 281.366 1.928 10 0 CDAERP CCCCCNC(=O)[C@@H](C)[N@H+](CCC[NH3+])CC(C)C ZINC000043417342 175038210 /nfs/dbraw/zinc/03/82/10/175038210.db2.gz PVGJEUINVJQUFA-CQSZACIVSA-N 2 0 271.449 1.988 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000043588433 175072637 /nfs/dbraw/zinc/07/26/37/175072637.db2.gz JHWDQLFNHVJBMF-HUUCEWRRSA-N 2 0 283.460 1.859 10 0 CDAERP C[NH2+][C@H](CN1CCC[N@H+](C)CC1)c1ccc(OC)cc1 ZINC000043818112 175112929 /nfs/dbraw/zinc/11/29/29/175112929.db2.gz YYBCPNSPYVCHFY-MRXNPFEDSA-N 2 0 277.412 1.593 10 0 CDAERP C[NH2+][C@@H]1c2ccccc2CC[C@H]1N1CCC[N@H+](C)CC1 ZINC000043818251 175113019 /nfs/dbraw/zinc/11/30/19/175113019.db2.gz HBVRAQUJXZCJEF-IAGOWNOFSA-N 2 0 273.424 1.899 10 0 CDAERP C[NH2+][C@@H]1CCCCC[C@H]1N1CCC([NH+](C)C)CC1 ZINC000043897255 175120004 /nfs/dbraw/zinc/12/00/04/175120004.db2.gz PPBOKHWCXCPDRV-HUUCEWRRSA-N 2 0 253.434 1.933 10 0 CDAERP C[NH2+][C@H]1c2ccccc2OC[C@H]1N1CCC([NH+](C)C)CC1 ZINC000043897356 175120019 /nfs/dbraw/zinc/12/00/19/175120019.db2.gz IBFQIAHSNLYYDA-WBVHZDCISA-N 2 0 289.423 1.734 10 0 CDAERP CC[NH2+][C@H]1CCCC[C@@H]1N1CC[NH+](C2CC2)CC1 ZINC000043967725 175129214 /nfs/dbraw/zinc/12/92/14/175129214.db2.gz WTMGTIBMSOJHCR-GJZGRUSLSA-N 2 0 251.418 1.687 10 0 CDAERP Cc1nc(C)c([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)c(=O)[nH]1 ZINC000044533043 175196491 /nfs/dbraw/zinc/19/64/91/175196491.db2.gz YNCIYDFJJYCTAU-GXFFZTMASA-N 2 0 278.400 1.379 10 0 CDAERP C[C@@H]1C[NH2+]C[C@@H](C)CN(C[C@@H]2CCCC[N@@H+]2C)C1 ZINC000044564239 175207647 /nfs/dbraw/zinc/20/76/47/175207647.db2.gz IVIBUYXEWWNMFU-KFWWJZLASA-N 2 0 253.434 1.648 10 0 CDAERP C[C@@H]([NH2+][C@@H]1CCN(C2CC2)C1)[C@@H]1CCC[N@H+](C)C1 ZINC000044685738 175230881 /nfs/dbraw/zinc/23/08/81/175230881.db2.gz MXHSEINUQYMANH-MGPQQGTHSA-N 2 0 251.418 1.543 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[C@@H](C)[NH2+]C1)[NH+]1CCCCC1 ZINC000045010338 175289361 /nfs/dbraw/zinc/28/93/61/175289361.db2.gz YEDFETVOWRMVGM-MGPQQGTHSA-N 2 0 267.417 1.365 10 0 CDAERP CC[NH2+][C@@](C)(CCC[N@@H+]1CCCC[C@@H]1C)C(N)=O ZINC000045376151 175366700 /nfs/dbraw/zinc/36/67/00/175366700.db2.gz FCZITUBAIXSJCH-JSGCOSHPSA-N 2 0 255.406 1.495 10 0 CDAERP C[NH2+][C@@](C)(CCCC[N@@H+]1CCc2ccccc2C1)C(N)=O ZINC000045378766 175368369 /nfs/dbraw/zinc/36/83/69/175368369.db2.gz GUZJDWHLXQZLID-KRWDZBQOSA-N 2 0 289.423 1.678 10 0 CDAERP CCC[N@H+](CCC[C@](C)([NH3+])C(=O)OCC)C1CC1 ZINC000045387556 175372620 /nfs/dbraw/zinc/37/26/20/175372620.db2.gz BMFMCFMETOCFKX-AWEZNQCLSA-N 2 0 256.390 1.922 10 0 CDAERP CCCCC[N@H+](C)CCC[C@@](C)([NH2+]C1CC1)C(N)=O ZINC000045388223 175373561 /nfs/dbraw/zinc/37/35/61/175373561.db2.gz NTSFSHBWBZHMRY-OAHLLOKOSA-N 2 0 269.433 1.885 10 0 CDAERP CCC[NH2+][C@@](C)(CCCC[N@@H+]1CCOC(C)(C)C1)C(N)=O ZINC000045418695 175377349 /nfs/dbraw/zinc/37/73/49/175377349.db2.gz LDYWHPWQTAPIES-INIZCTEOSA-N 2 0 299.459 1.511 10 0 CDAERP C[NH+](C)CCCNCC[NH+](CC1CC1)CC1CC1 ZINC000070507809 175959412 /nfs/dbraw/zinc/95/94/12/175959412.db2.gz CFLSSBIZZOBIOI-UHFFFAOYSA-N 2 0 253.434 1.650 10 0 CDAERP CC(C)[NH2+][C@@H]1CCN(C[C@H](C)C[NH+]2CCCC2)C1=O ZINC000071031223 176022628 /nfs/dbraw/zinc/02/26/28/176022628.db2.gz ZTRFWFNVKHVAOV-ZIAGYGMSSA-N 2 0 267.417 1.317 10 0 CDAERP CCC[NH2+][C@@H]1CCN(C[C@H](C)C[NH+]2CCCC2)C1=O ZINC000071031243 176022710 /nfs/dbraw/zinc/02/27/10/176022710.db2.gz DABIDODERVOMFN-ZIAGYGMSSA-N 2 0 267.417 1.319 10 0 CDAERP CCC[NH2+][C@H]1CCCN([C@H]2C[NH+]3CCC2CC3)C1=O ZINC000071032867 176023390 /nfs/dbraw/zinc/02/33/90/176023390.db2.gz LJNYCSPDSVVULY-KBPBESRZSA-N 2 0 265.401 1.071 10 0 CDAERP CC[NH+](CC)CCCN1CC[C@H]([NH2+]C(C)C)C1=O ZINC000071033333 176023458 /nfs/dbraw/zinc/02/34/58/176023458.db2.gz FNIQLSIDXAFARB-ZDUSSCGKSA-N 2 0 255.406 1.317 10 0 CDAERP CC[NH+](CC)CCCN1CCC[C@@H]([NH2+]C(C)C)C1=O ZINC000071033354 176023870 /nfs/dbraw/zinc/02/38/70/176023870.db2.gz PWEHARHZGOJULI-CQSZACIVSA-N 2 0 269.433 1.707 10 0 CDAERP CC[NH2+][C@@H]1CCN(CCC[N@@H+]2CCCC[C@@H]2C)C1=O ZINC000071037915 176026540 /nfs/dbraw/zinc/02/65/40/176026540.db2.gz SUTKPYMPUBIIGX-UONOGXRCSA-N 2 0 267.417 1.461 10 0 CDAERP CN(CC(=O)Nc1cc(N)ccc1F)C[C@H]1CC[N@H+](C)C1 ZINC000071187652 176060552 /nfs/dbraw/zinc/06/05/52/176060552.db2.gz VOPLOZDMRUHRBA-NSHDSACASA-N 2 0 294.374 1.230 10 0 CDAERP COc1cccc([C@@H]([C@H](C)[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000071187944 176061203 /nfs/dbraw/zinc/06/12/03/176061203.db2.gz CRZNAOLQKLZAON-JJRVBVJISA-N 2 0 291.439 1.967 10 0 CDAERP CC[C@@H]([NH3+])[C@H](c1ccco1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071187987 176061560 /nfs/dbraw/zinc/06/15/60/176061560.db2.gz XIXURHCYCORPRV-UMVBOHGHSA-N 2 0 265.401 1.942 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)[C@@H](C[NH3+])c1ccsc1 ZINC000071187887 176061575 /nfs/dbraw/zinc/06/15/75/176061575.db2.gz OECOAZOSVZADPS-YPMHNXCESA-N 2 0 253.415 1.631 10 0 CDAERP CC[C@H]([NH3+])[C@H](c1ccncc1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071187904 176062026 /nfs/dbraw/zinc/06/20/26/176062026.db2.gz ZSSMSDIRKXANSQ-KBMXLJTQSA-N 2 0 276.428 1.744 10 0 CDAERP CCOc1ccc([C@@H](C[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000071188626 176063717 /nfs/dbraw/zinc/06/37/17/176063717.db2.gz JKNSKSAKDAMKFW-RHSMWYFYSA-N 2 0 291.439 1.969 10 0 CDAERP C[C@@H]1CCCC[C@]1(C[NH3+])N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188590 176063850 /nfs/dbraw/zinc/06/38/50/176063850.db2.gz VPPRBFDFOHZQFJ-RBSFLKMASA-N 2 0 253.434 1.778 10 0 CDAERP C[NH2+][C@@](C)(CCCC[N@H+](C)C[C@@H]1CC[NH+](C)C1)C(=O)[O-] ZINC000071190837 176067363 /nfs/dbraw/zinc/06/73/63/176067363.db2.gz GMESIGVPNAONPY-ZFWWWQNUSA-N 2 0 285.432 1.103 10 0 CDAERP CCC[NH2+]Cc1ccc(N(C)C[C@H]2CC[N@H+](C)C2)nc1 ZINC000071191663 176071365 /nfs/dbraw/zinc/07/13/65/176071365.db2.gz FYVYTXJPYNQUCW-HNNXBMFYSA-N 2 0 276.428 1.969 10 0 CDAERP C[C@@H]1CC[C@H](C(=O)NCC[N@H+](C)C2CCCC2)C[C@@H]1[NH3+] ZINC000071380104 176144151 /nfs/dbraw/zinc/14/41/51/176144151.db2.gz YYGGDPXNRSITDP-IPYPFGDCSA-N 2 0 281.444 1.741 10 0 CDAERP Cc1ccc([C@H]([C@@H](C)[NH3+])N2CC[NH+](CC(C)(C)O)CC2)o1 ZINC000071380305 176144617 /nfs/dbraw/zinc/14/46/17/176144617.db2.gz VZSKHBWGSCSOQI-HIFRSBDPSA-N 2 0 295.427 1.365 10 0 CDAERP C[C@@H]([NH3+])[C@H](c1ccco1)N1CC[NH+](CC(C)(C)O)CC1 ZINC000071380348 176145197 /nfs/dbraw/zinc/14/51/97/176145197.db2.gz JNDVBOMRCUXMFP-TZMCWYRMSA-N 2 0 281.400 1.056 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)[NH2+]CCCO ZINC001665856383 1173074114 /nfs/dbraw/zinc/07/41/14/1173074114.db2.gz MOMICTZMTCGEHS-CABCVRRESA-N 2 0 299.459 1.116 10 0 CDAERP C[C@@H]1CCC[N@H+](CCNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000261752770 287353082 /nfs/dbraw/zinc/35/30/82/287353082.db2.gz MVFFFUCSESZGRD-MGPQQGTHSA-N 2 0 267.417 1.210 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N(C)C1CC([NH3+])C1 ZINC000417542243 287389018 /nfs/dbraw/zinc/38/90/18/287389018.db2.gz ZZQYAFTWOUWDHI-IWMBGFJWSA-N 2 0 282.432 1.380 10 0 CDAERP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000417907728 227145136 /nfs/dbraw/zinc/14/51/36/227145136.db2.gz APCUEDVPRXDFIQ-LQULJDIASA-N 2 0 296.459 1.486 10 0 CDAERP CO[C@H](C[NH+]1CCC2(CC[NH2+]C2)CC1)C1CCC1 ZINC000662274552 423840153 /nfs/dbraw/zinc/84/01/53/423840153.db2.gz VPKHSMHMRZXQMI-CQSZACIVSA-N 2 0 252.402 1.877 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000652224726 424084763 /nfs/dbraw/zinc/08/47/63/424084763.db2.gz GQDFDOQYRJQQCS-LSDHHAIUSA-N 2 0 296.459 1.358 10 0 CDAERP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCCC1(C[NH3+])CC1 ZINC000652240984 424122123 /nfs/dbraw/zinc/12/21/23/424122123.db2.gz RWGGZGAUTZPHAF-CYBMUJFWSA-N 2 0 282.432 1.097 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659559466 424138361 /nfs/dbraw/zinc/13/83/61/424138361.db2.gz NIHDMWPISAABTM-CQSZACIVSA-N 2 0 286.464 1.637 10 0 CDAERP CC(C)[NH2+]CCCNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653048554 424167644 /nfs/dbraw/zinc/16/76/44/424167644.db2.gz IEANPOYGLRPUMS-OLZOCXBDSA-N 2 0 253.390 1.021 10 0 CDAERP C[NH+](C)CCCCNC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662684451 424314995 /nfs/dbraw/zinc/31/49/95/424314995.db2.gz ZAVKDTUJZWSGIO-OAHLLOKOSA-N 2 0 275.396 1.679 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CC[C@H](C)SC2)CC1 ZINC000655690043 424397599 /nfs/dbraw/zinc/39/75/99/424397599.db2.gz SPZSPTMOMWETPK-ILXRZTDVSA-N 2 0 285.501 1.886 10 0 CDAERP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000665280346 424490338 /nfs/dbraw/zinc/49/03/38/424490338.db2.gz ZHSQLGQPLWUUEB-SWLSCSKDSA-N 2 0 288.399 1.686 10 0 CDAERP C[C@@H]1CN(C(=O)C2([NH3+])CC3(CCC3)C2)C[C@@]1(C)C[NH3+] ZINC000662813910 424503910 /nfs/dbraw/zinc/50/39/10/424503910.db2.gz DUTXXJWVKHLHIN-DGCLKSJQSA-N 2 0 265.401 1.091 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655482492 424476597 /nfs/dbraw/zinc/47/65/97/424476597.db2.gz XTOUHHGTTKDRPR-GOEBONIOSA-N 2 0 281.444 1.470 10 0 CDAERP C(CC1CC[NH2+]CC1)C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000110371307 424618005 /nfs/dbraw/zinc/61/80/05/424618005.db2.gz BPMAPKVHXOHVNA-MRXNPFEDSA-N 2 0 281.444 1.173 10 0 CDAERP [NH3+]C[C@H](NC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+])C(F)(F)F ZINC000655505356 424667168 /nfs/dbraw/zinc/66/71/68/424667168.db2.gz XGNVJUWFQKFPEP-UTLUCORTSA-N 2 0 281.322 1.290 10 0 CDAERP c1cc2c(cc1NC[C@]13C[C@H]1C[NH2+]C3)OCC[NH2+]C2 ZINC000530247516 271181984 /nfs/dbraw/zinc/18/19/84/271181984.db2.gz VMKZLYHADOMWGR-SWLSCSKDSA-N 2 0 259.353 1.190 10 0 CDAERP CC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001667652801 1173307026 /nfs/dbraw/zinc/30/70/26/1173307026.db2.gz SRCPHXKYHZSDIL-KBPBESRZSA-N 2 0 269.433 1.517 10 0 CDAERP CC(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@H](CO)C2)CC1 ZINC000336788853 275626638 /nfs/dbraw/zinc/62/66/38/275626638.db2.gz RDEBJXRDDDFLBE-DZGCQCFKSA-N 2 0 254.418 2.000 10 0 CDAERP CC(C)[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001668173036 1173377284 /nfs/dbraw/zinc/37/72/84/1173377284.db2.gz AFWAKPVFLWBWOT-OLZOCXBDSA-N 2 0 255.406 1.364 10 0 CDAERP C[NH2+]CCNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000418322725 277024331 /nfs/dbraw/zinc/02/43/31/277024331.db2.gz DXSXLROXXMVRFY-HNNXBMFYSA-N 2 0 296.459 1.503 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CC[NH+](C2CCCC2)CC1 ZINC000052063765 277489149 /nfs/dbraw/zinc/48/91/49/277489149.db2.gz MNQDTYDQPRYWKR-AWEZNQCLSA-N 2 0 253.434 1.920 10 0 CDAERP C[C@@H]1C[C@H](C[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)CC[NH2+]1 ZINC000414690959 278010270 /nfs/dbraw/zinc/01/02/70/278010270.db2.gz BDBJZHUHTQJTKN-BARDWOONSA-N 2 0 253.434 1.789 10 0 CDAERP CSCC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371292865 278130524 /nfs/dbraw/zinc/13/05/24/278130524.db2.gz DQRLNTHXGXLRGE-JHJVBQTASA-N 2 0 258.431 1.533 10 0 CDAERP CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353522680 278159995 /nfs/dbraw/zinc/15/99/95/278159995.db2.gz VIPIXLVBNYJEQT-RYMFRWLXSA-N 2 0 272.458 1.561 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000417013354 278535917 /nfs/dbraw/zinc/53/59/17/278535917.db2.gz BTQSNMFTEKTVNN-KBXIAJHMSA-N 2 0 296.459 1.486 10 0 CDAERP C[C@@H]1C[N@H+](C)C[C@@H]1NCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000343565509 288090865 /nfs/dbraw/zinc/09/08/65/288090865.db2.gz HSNNTNHFFHCNNM-QXSJWSMHSA-N 2 0 267.461 1.894 10 0 CDAERP CC[NH+](CC)CC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000341073506 279089827 /nfs/dbraw/zinc/08/98/27/279089827.db2.gz VQXZKVFXDHAZEM-OKILXGFUSA-N 2 0 269.433 1.707 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000171048279 279319366 /nfs/dbraw/zinc/31/93/66/279319366.db2.gz AESMMFAHZHEPQJ-GJZGRUSLSA-N 2 0 294.443 1.350 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CCCc2n[nH]cc21)N1CC[NH+](C)CC1 ZINC000367585359 279350047 /nfs/dbraw/zinc/35/00/47/279350047.db2.gz DDJLIEVHHOUKTR-TZMCWYRMSA-N 2 0 277.416 1.013 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000252801510 279353610 /nfs/dbraw/zinc/35/36/10/279353610.db2.gz TZDLFMPAVORRDL-RDJZCZTQSA-N 2 0 289.423 1.888 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000232624429 279359482 /nfs/dbraw/zinc/35/94/82/279359482.db2.gz YYJKCXOZRXQDOX-GFCCVEGCSA-N 2 0 255.406 1.221 10 0 CDAERP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423261558 288132449 /nfs/dbraw/zinc/13/24/49/288132449.db2.gz SLMWGTSIJTWXOC-UMVBOHGHSA-N 2 0 251.418 1.448 10 0 CDAERP [NH3+][C@H](C[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1)C1CC1 ZINC000423327362 279684917 /nfs/dbraw/zinc/68/49/17/279684917.db2.gz RJNRMJRAPYVXGT-LXTVHRRPSA-N 2 0 252.402 1.909 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](CC(C)C)CC2)C1 ZINC000194172522 280026787 /nfs/dbraw/zinc/02/67/87/280026787.db2.gz KLACUUUEVBEGRX-HNNXBMFYSA-N 2 0 296.459 1.454 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H]1CCC[NH+](C)C1 ZINC000245472228 280212345 /nfs/dbraw/zinc/21/23/45/280212345.db2.gz OTTSAKCASAZMKV-CABCVRRESA-N 2 0 296.459 1.454 10 0 CDAERP O=C1NCCC[C@@H]1[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000334559439 280287014 /nfs/dbraw/zinc/28/70/14/280287014.db2.gz UNWQXUHRDMYOGV-AWEZNQCLSA-N 2 0 265.401 1.073 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)COCC(C)C)[C@@H](C)C1 ZINC000246525424 280287778 /nfs/dbraw/zinc/28/77/78/280287778.db2.gz JCIKYJKUDZDLBP-JYJNAYRXSA-N 2 0 286.460 1.682 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261720858 288290353 /nfs/dbraw/zinc/29/03/53/288290353.db2.gz KAKFQXGDQOYRJY-LXTVHRRPSA-N 2 0 279.428 1.589 10 0 CDAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+](CC)CC ZINC000173264658 281189625 /nfs/dbraw/zinc/18/96/25/281189625.db2.gz AWJSEGPGMOMSPO-LSDHHAIUSA-N 2 0 296.459 1.596 10 0 CDAERP C[N@H+](CCCN1CC[NH+](C)CC1)CC1CC(C)(C)C1 ZINC000528435393 281228150 /nfs/dbraw/zinc/22/81/50/281228150.db2.gz ZXDNOHSVSHCNID-UHFFFAOYSA-N 2 0 267.461 1.992 10 0 CDAERP CCN(CC[NH2+]CCF)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001668574204 1173428103 /nfs/dbraw/zinc/42/81/03/1173428103.db2.gz IOYSGZABRKDSCS-CQSZACIVSA-N 2 0 287.423 1.659 10 0 CDAERP CCC[C@@H](C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1)[NH+](C)C ZINC000153956960 289188640 /nfs/dbraw/zinc/18/86/40/289188640.db2.gz AICVTXMLXJELEN-CABCVRRESA-N 2 0 283.460 1.811 10 0 CDAERP C[NH+](C)C[C@@H]1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000431822763 289193147 /nfs/dbraw/zinc/19/31/47/289193147.db2.gz OQUYWCSBTXRMDE-GJZGRUSLSA-N 2 0 281.444 1.661 10 0 CDAERP COC[C@@](C)(O)C[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000542319152 289539853 /nfs/dbraw/zinc/53/98/53/289539853.db2.gz DETNYCCRMFYRGZ-HNNXBMFYSA-N 2 0 290.367 1.063 10 0 CDAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000414946882 289728746 /nfs/dbraw/zinc/72/87/46/289728746.db2.gz UTTTZSAENCYLPO-APIJFGDWSA-N 2 0 253.434 1.885 10 0 CDAERP C[C@H](N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)C1C[NH2+]C1 ZINC000423009685 290017384 /nfs/dbraw/zinc/01/73/84/290017384.db2.gz DJRYIYWNGWTZKJ-MAZHCROVSA-N 2 0 259.397 1.629 10 0 CDAERP CN1CCO[C@@H](C[N@H+](CC2CC2)C[C@H]2CCC[NH2+]C2)C1 ZINC000262052637 290077359 /nfs/dbraw/zinc/07/73/59/290077359.db2.gz ZSPNAASRYBMCIR-JKSUJKDBSA-N 2 0 281.444 1.029 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NCCCC[NH+]2CCC[C@@H](C)C2)C1 ZINC000552996864 290088721 /nfs/dbraw/zinc/08/87/21/290088721.db2.gz JTFYRJYLPNVKCR-CVEARBPZSA-N 2 0 295.471 1.957 10 0 CDAERP CC[N@@H+]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](C)C1 ZINC000557527241 290350596 /nfs/dbraw/zinc/35/05/96/290350596.db2.gz UNRUJDVTBKGVDV-IHRRRGAJSA-N 2 0 267.417 1.269 10 0 CDAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C[NH+]1CCCCC1 ZINC000561170960 293057451 /nfs/dbraw/zinc/05/74/51/293057451.db2.gz YJDLCPQKDGTPDN-LSDHHAIUSA-N 2 0 281.444 1.566 10 0 CDAERP Cc1cc(C)n2c(CN[C@@H]3CCCC[NH2+]C3)cnc2n1 ZINC000562747953 293190354 /nfs/dbraw/zinc/19/03/54/293190354.db2.gz AHUWSTRFECEAQI-CYBMUJFWSA-N 2 0 273.384 1.578 10 0 CDAERP [NH3+]CC12CCC(CC1)CN2C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000573103231 294754098 /nfs/dbraw/zinc/75/40/98/294754098.db2.gz WUPMNOAFMUNRLE-DNOWBOINSA-N 2 0 265.401 1.106 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000089457784 295271269 /nfs/dbraw/zinc/27/12/69/295271269.db2.gz OJWPLCCDDLIHGU-RBSFLKMASA-N 2 0 279.428 1.448 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000261685915 295272265 /nfs/dbraw/zinc/27/22/65/295272265.db2.gz HJCOAAYWNIEKOO-ZOBORPQBSA-N 2 0 265.401 1.104 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000262673637 295321833 /nfs/dbraw/zinc/32/18/33/295321833.db2.gz QHKQJSKXHDSZEH-ZNMIVQPWSA-N 2 0 279.428 1.591 10 0 CDAERP [NH3+][C@H](CNC(=O)NCC[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000418345979 295331130 /nfs/dbraw/zinc/33/11/30/295331130.db2.gz MDODMDFHMCWXIY-UKRRQHHQSA-N 2 0 290.411 1.375 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000418602406 297108757 /nfs/dbraw/zinc/10/87/57/297108757.db2.gz VPZPPHLKGKUDHD-QLFBSQMISA-N 2 0 294.443 1.254 10 0 CDAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000416820206 300325691 /nfs/dbraw/zinc/32/56/91/300325691.db2.gz BVKTZAKHYYBERO-UONOGXRCSA-N 2 0 296.459 1.548 10 0 CDAERP CC(C)[NH2+]CCCNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000563598182 316338633 /nfs/dbraw/zinc/33/86/33/316338633.db2.gz WFQKWKKIZJPPPB-HNNXBMFYSA-N 2 0 282.432 1.160 10 0 CDAERP C[C@@H](NC(=O)c1ccccc1CC[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000570171868 316925336 /nfs/dbraw/zinc/92/53/36/316925336.db2.gz XMRMUMWZDGIXPQ-TZMCWYRMSA-N 2 0 275.396 1.306 10 0 CDAERP COC[C@H](C)C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000575106177 316958928 /nfs/dbraw/zinc/95/89/28/316958928.db2.gz DSRUFDIVPDORHK-VHDGCEQUSA-N 2 0 270.417 1.487 10 0 CDAERP Cc1cnn(CC[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000575854946 317025704 /nfs/dbraw/zinc/02/57/04/317025704.db2.gz WMGDVEUVKRAXKS-CVEARBPZSA-N 2 0 292.427 1.410 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc(CO)c(F)c2)C1 ZINC000575935099 317043690 /nfs/dbraw/zinc/04/36/90/317043690.db2.gz FPRVPRLCYKUYPJ-OLZOCXBDSA-N 2 0 252.333 1.678 10 0 CDAERP Cn1cncc1CCC[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000576119076 317079625 /nfs/dbraw/zinc/07/96/25/317079625.db2.gz CDRNYXDLGNAJDH-PWSUYJOCSA-N 2 0 291.317 1.598 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NCC[C@H]2CCC[NH+](C)C2)C1 ZINC000576171672 317090846 /nfs/dbraw/zinc/09/08/46/317090846.db2.gz TWJIFPQLVQHQDQ-UONOGXRCSA-N 2 0 267.417 1.176 10 0 CDAERP CCC[C@@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)C(C)(C)C ZINC000576227814 317100280 /nfs/dbraw/zinc/10/02/80/317100280.db2.gz BJEHWKQETDDSSC-HUUCEWRRSA-N 2 0 285.476 1.399 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000576373744 317128235 /nfs/dbraw/zinc/12/82/35/317128235.db2.gz RHHZIIFOXXEMCS-HZSPNIEDSA-N 2 0 282.432 1.158 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000577076983 317262602 /nfs/dbraw/zinc/26/26/02/317262602.db2.gz MPQKBXOYSVALRT-KBPBESRZSA-N 2 0 267.417 1.271 10 0 CDAERP CCCC[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CCC1 ZINC001673210337 1173835787 /nfs/dbraw/zinc/83/57/87/1173835787.db2.gz QIGFELPWIDEIFZ-AWEZNQCLSA-N 2 0 281.444 1.757 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)C2CC[NH2+]CC2)cc1 ZINC000581823325 324837427 /nfs/dbraw/zinc/83/74/27/324837427.db2.gz ZCYDMHYCYQMGOY-LLVKDONJSA-N 2 0 261.369 1.322 10 0 CDAERP CN(CC[NH2+]CCC(C)(C)C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001267354937 1159294431 /nfs/dbraw/zinc/29/44/31/1159294431.db2.gz CPPBDIADSPDFAH-ZDUSSCGKSA-N 2 0 269.433 1.565 10 0 CDAERP c1[nH+]cn2cc(C[NH2+][C@@H]3CO[C@H](C4CC4)C3)ccc12 ZINC000668234809 482218578 /nfs/dbraw/zinc/21/85/78/482218578.db2.gz VRGRRMHFUZOGIY-ZFWWWQNUSA-N 2 0 257.337 1.991 10 0 CDAERP CCc1ccc(C[NH2+]CC2([NH3+])CCOCC2)s1 ZINC000225365886 482260028 /nfs/dbraw/zinc/26/00/28/482260028.db2.gz OXLCDPNUZSYANE-UHFFFAOYSA-N 2 0 254.399 1.908 10 0 CDAERP C[C@@H]1C[C@@H]1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000668490292 482457845 /nfs/dbraw/zinc/45/78/45/482457845.db2.gz UQLNSGILYXTCOJ-XYPHTWIQSA-N 2 0 274.408 1.999 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000652291653 482459076 /nfs/dbraw/zinc/45/90/76/482459076.db2.gz BHNTVMDIQKAGNX-CHWSQXEVSA-N 2 0 290.411 1.285 10 0 CDAERP C[NH2+]CCN(C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000417948516 482644622 /nfs/dbraw/zinc/64/46/22/482644622.db2.gz TVUVYNRUPDKVSI-CABCVRRESA-N 2 0 290.411 1.293 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)NC/C=C\C[NH3+])c1ccsc1 ZINC000669300974 482674997 /nfs/dbraw/zinc/67/49/97/482674997.db2.gz LRLXRAFGNDJEOI-MVZIDQBPSA-N 2 0 282.413 1.165 10 0 CDAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C[NH2+]C1CC1 ZINC000237426236 482711292 /nfs/dbraw/zinc/71/12/92/482711292.db2.gz VHUIBKCFHKPVBF-ZDUSSCGKSA-N 2 0 275.396 1.375 10 0 CDAERP C[NH+](C)Cc1cccc(CNC(=O)NC/C=C/C[NH3+])c1 ZINC000669386802 482764987 /nfs/dbraw/zinc/76/49/87/482764987.db2.gz SATKFAZTVIBRQT-ONEGZZNKSA-N 2 0 276.384 1.062 10 0 CDAERP CCO[C@@H]1C[N@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C[C@H]1C[NH3+] ZINC000405212975 482861533 /nfs/dbraw/zinc/86/15/33/482861533.db2.gz LZITXJDVJGBJQR-XLWJZTARSA-N 2 0 252.402 1.718 10 0 CDAERP CO[C@H]1CCC[C@H]([NH2+]CCCN2CCC[N@H+](C)CC2)C1 ZINC000684535543 482870498 /nfs/dbraw/zinc/87/04/98/482870498.db2.gz RGDHRFLGMANANT-HOTGVXAUSA-N 2 0 283.460 1.561 10 0 CDAERP COc1cc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc2c1OCCO2 ZINC000666855431 482952373 /nfs/dbraw/zinc/95/23/73/482952373.db2.gz RGWNQMKMUGJSCD-CYBMUJFWSA-N 2 0 292.379 1.698 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000666930288 483006137 /nfs/dbraw/zinc/00/61/37/483006137.db2.gz VVXJGGCXIXJBDP-OLZOCXBDSA-N 2 0 265.401 1.452 10 0 CDAERP CC[NH+](CC)[C@@H](CNC(=O)NC/C=C/C[NH3+])c1ccco1 ZINC000669418807 483021657 /nfs/dbraw/zinc/02/16/57/483021657.db2.gz NJMKEXVHLPAASK-GFUIURDCSA-N 2 0 294.399 1.477 10 0 CDAERP C[C@@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)C1CC[NH+](C)CC1 ZINC000678594683 483126692 /nfs/dbraw/zinc/12/66/92/483126692.db2.gz JJMBCFKUQKQJQK-GBOPCIDUSA-N 2 0 279.428 1.316 10 0 CDAERP C[C@H]([NH2+]CC1(CCO)CCC1)C1CC[NH+](C)CC1 ZINC000678599208 483127421 /nfs/dbraw/zinc/12/74/21/483127421.db2.gz XOJFIGTZOYRHMT-ZDUSSCGKSA-N 2 0 254.418 1.859 10 0 CDAERP CC(C)[NH+]1CCC(N(C)C(=O)C[C@H]2CC[NH2+]C2)CC1 ZINC000089744281 483129637 /nfs/dbraw/zinc/12/96/37/483129637.db2.gz URXNFIIDJKBFAE-CYBMUJFWSA-N 2 0 267.417 1.317 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000685474569 483141953 /nfs/dbraw/zinc/14/19/53/483141953.db2.gz BYSAWTNWBMJATI-CYBMUJFWSA-N 2 0 299.378 1.273 10 0 CDAERP c1ccc2c(c1)CC[C@@H](C[N@H+]1C[C@H]3C[NH2+]C[C@H]3C1)C2 ZINC000679815968 483440325 /nfs/dbraw/zinc/44/03/25/483440325.db2.gz PCIMXAQWTLJVAP-XYPHTWIQSA-N 2 0 256.393 1.943 10 0 CDAERP C[C@H]1CCC[C@@H]([NH+]2CCC(NCc3cn(C)nn3)CC2)C1 ZINC000679994525 483510583 /nfs/dbraw/zinc/51/05/83/483510583.db2.gz VXDZCZCUOVZPMA-XJKSGUPXSA-N 2 0 291.443 1.948 10 0 CDAERP O=C(C[NH2+][C@H]1CCCC12CC2)NCC[NH+]1CCCCCC1 ZINC000668189904 483604400 /nfs/dbraw/zinc/60/44/00/483604400.db2.gz SZRWWUISVYRFHJ-HNNXBMFYSA-N 2 0 293.455 1.901 10 0 CDAERP CC/C=C/CC[NH2+]CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001691556580 1160699967 /nfs/dbraw/zinc/69/99/67/1160699967.db2.gz VSDLQXGDLMVTAW-LLYBFZRZSA-N 2 0 281.444 1.733 10 0 CDAERP CC(C)(C)[NH2+]Cc1nccn1CC[NH+]1CCCC1 ZINC000051015368 518768678 /nfs/dbraw/zinc/76/86/78/518768678.db2.gz UNCMTVLMKICKLH-UHFFFAOYSA-N 2 0 250.390 1.867 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cnc(C)o1 ZINC001409459835 1160830895 /nfs/dbraw/zinc/83/08/95/1160830895.db2.gz YPADLAKOSUBYAE-NWDGAFQWSA-N 2 0 296.415 1.308 10 0 CDAERP CC(C)[NH2+]CC(C)(C)CN1CCN(CC[NH+](C)C)CC1 ZINC000061653760 519719737 /nfs/dbraw/zinc/71/97/37/519719737.db2.gz QQZFFJAVPCWSML-UHFFFAOYSA-N 2 0 284.492 1.190 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)[C@H]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000055139212 519814097 /nfs/dbraw/zinc/81/40/97/519814097.db2.gz PVHCFAHOIAEJJS-CRWXNKLISA-N 2 0 269.433 1.452 10 0 CDAERP CCC[NH2+]Cc1cn(CC[N@H+](CCC)C(C)C)nn1 ZINC000052450402 519962351 /nfs/dbraw/zinc/96/23/51/519962351.db2.gz CXAGUCBCFQJGME-UHFFFAOYSA-N 2 0 267.421 1.898 10 0 CDAERP CCC[NH2+][C@@H](CN1CCC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000069075279 520007846 /nfs/dbraw/zinc/00/78/46/520007846.db2.gz LXQBGBFJKDSJLG-CVEARBPZSA-N 2 0 265.445 1.935 10 0 CDAERP CC[NH2+]Cc1cn(CC[NH+]2C[C@H](C)C[C@@H](C)C2)nn1 ZINC000052420714 520012844 /nfs/dbraw/zinc/01/28/44/520012844.db2.gz UQOYXCBDELXESH-CHWSQXEVSA-N 2 0 265.405 1.366 10 0 CDAERP CC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1C[N@H+](C)CCO ZINC000054560057 520120360 /nfs/dbraw/zinc/12/03/60/520120360.db2.gz GZXAPAPYWMTVQZ-RBSFLKMASA-N 2 0 256.434 1.961 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCCC(C)(C)C ZINC001713339352 1178508060 /nfs/dbraw/zinc/50/80/60/1178508060.db2.gz HGAKZJQRYLZMGT-KGLIPLIRSA-N 2 0 283.460 1.859 10 0 CDAERP CC[NH+]1CCC(N2CCC[N@H+](C[C@@H](O)C(C)C)CC2)CC1 ZINC000420984695 517654885 /nfs/dbraw/zinc/65/48/85/517654885.db2.gz UJHIYKYGPWBUOU-QGZVFWFLSA-N 2 0 297.487 1.495 10 0 CDAERP CC(C)(C)[NH+]1CCN(Cc2occc2C[NH3+])CC1 ZINC000052571630 518712608 /nfs/dbraw/zinc/71/26/08/518712608.db2.gz RCNWQMOSNILZJY-UHFFFAOYSA-N 2 0 251.374 1.654 10 0 CDAERP CC(C)(C)[NH+]1CCN(c2nc3sccn3c2C[NH3+])CC1 ZINC000048946067 518712924 /nfs/dbraw/zinc/71/29/24/518712924.db2.gz YRORKIUFGSWKEQ-UHFFFAOYSA-N 2 0 293.440 1.775 10 0 CDAERP CC(C)[NH+](CCNC(=O)[C@H]1CC[C@H]([NH3+])C[C@@H]1C)C(C)C ZINC000055125071 519647949 /nfs/dbraw/zinc/64/79/49/519647949.db2.gz QLBYNKLHCBEYMY-KKUMJFAQSA-N 2 0 283.460 1.985 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)C[C@@H]2CCCO2)O1 ZINC000052541065 519723449 /nfs/dbraw/zinc/72/34/49/519723449.db2.gz YPSSRCDKCRAVBC-KKUMJFAQSA-N 2 0 270.417 1.643 10 0 CDAERP CC(C)[NH2+]C[C@@H]1CC[C@H](C[N@@H+]2CCOC(C)(C)C2)O1 ZINC000052481890 519723907 /nfs/dbraw/zinc/72/39/07/519723907.db2.gz GVMRTORFOBNSMR-UONOGXRCSA-N 2 0 270.417 1.643 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)[C@@H]2CCC[C@H](CC[NH3+])C2)CC1 ZINC000055160912 519724403 /nfs/dbraw/zinc/72/44/03/519724403.db2.gz WKPGLFISMMSNPB-HZPDHXFCSA-N 2 0 295.471 1.942 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)c1c[nH+]c(NN)c(Cl)c1 ZINC000051116522 519814394 /nfs/dbraw/zinc/81/43/94/519814394.db2.gz SLXKYXLGXNXKDG-NSHDSACASA-N 2 0 299.806 1.337 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000062897106 519843857 /nfs/dbraw/zinc/84/38/57/519843857.db2.gz NVDXCVGPNFEWKH-OAHLLOKOSA-N 2 0 267.417 1.319 10 0 CDAERP CCC[NH+]1CCN(C(=O)[C@@H]2[C@H](C)CCC[C@@H]2[NH3+])CC1 ZINC000055124583 519856363 /nfs/dbraw/zinc/85/63/63/519856363.db2.gz IEAXZNXIPVREPS-HZSPNIEDSA-N 2 0 267.417 1.304 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000061298630 519905231 /nfs/dbraw/zinc/90/52/31/519905231.db2.gz ADFIDZPNERRPGZ-CYBMUJFWSA-N 2 0 269.433 1.611 10 0 CDAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOCCOC ZINC000054629028 519907522 /nfs/dbraw/zinc/90/75/22/519907522.db2.gz OMQIPCHXQDAGGJ-GOOCMWNKSA-N 2 0 270.417 1.644 10 0 CDAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(C)(C)[NH+](C)C ZINC000054628725 519910629 /nfs/dbraw/zinc/91/06/29/519910629.db2.gz ZWKJMEIOKZLXLZ-AGUYFDCRSA-N 2 0 253.434 1.932 10 0 CDAERP CC[NH2+]CCC(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000061298242 519916380 /nfs/dbraw/zinc/91/63/80/519916380.db2.gz OFQJMECNTVLUBO-DZGCQCFKSA-N 2 0 269.433 1.613 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)C[C@@H]2CCCO2)O1 ZINC000052541059 519924024 /nfs/dbraw/zinc/92/40/24/519924024.db2.gz XLUPIPZWWLLENO-SOUVJXGZSA-N 2 0 270.417 1.644 10 0 CDAERP CC[NH2+]C[C@@H](c1ccccc1)N1CC[NH+](CC)CC1 ZINC000052422552 519949146 /nfs/dbraw/zinc/94/91/46/519949146.db2.gz AVHVQWFSMPRUMT-INIZCTEOSA-N 2 0 261.413 1.975 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](CCOC)CC(C)C)O1 ZINC000052508694 519951737 /nfs/dbraw/zinc/95/17/37/519951737.db2.gz XSPQSVGLTNBIOY-GJZGRUSLSA-N 2 0 272.433 1.748 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@H](CN2CC[NH+](CC(C)C)CC2)O1 ZINC000055082790 519956354 /nfs/dbraw/zinc/95/63/54/519956354.db2.gz ARJSULVZJUNVFJ-JKSUJKDBSA-N 2 0 283.460 1.417 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000061231576 519967962 /nfs/dbraw/zinc/96/79/62/519967962.db2.gz XQWYTSRLPNJUDR-LBPRGKRZSA-N 2 0 263.385 1.932 10 0 CDAERP CC[NH2+]Cc1ccc(C[N@H+](CCOC)[C@@H](C)COC)o1 ZINC000052572328 519996027 /nfs/dbraw/zinc/99/60/27/519996027.db2.gz DCOOGGIGKAYVSP-ZDUSSCGKSA-N 2 0 284.400 1.872 10 0 CDAERP CCC[NH2+][C@@H](CN1CC[NH+](C(C)C)CC1)C1CC1 ZINC000069073910 520009787 /nfs/dbraw/zinc/00/97/87/520009787.db2.gz HYUQAAGQWMHREU-HNNXBMFYSA-N 2 0 253.434 1.791 10 0 CDAERP CCC[NH2+][C@](C)(C[C@H](C)[NH+]1CCC(COC)CC1)C(N)=O ZINC000068647738 520115180 /nfs/dbraw/zinc/11/51/80/520115180.db2.gz VLUCTXZUNADNMG-XJKSGUPXSA-N 2 0 299.459 1.367 10 0 CDAERP CCCO[C@@H]1CCC[N@H+](CCN2CCC[NH2+]CC2)C1 ZINC000061275505 520272292 /nfs/dbraw/zinc/27/22/92/520272292.db2.gz HPDHFENUDBDWGN-OAHLLOKOSA-N 2 0 269.433 1.173 10 0 CDAERP CCCO[C@@H]1CCC[N@H+](Cc2cccnc2C[NH3+])C1 ZINC000061656765 520275862 /nfs/dbraw/zinc/27/58/62/520275862.db2.gz YQWAMWNRHZWDOM-CQSZACIVSA-N 2 0 263.385 1.931 10 0 CDAERP CCO[C@H](C[NH3+])CC[N@H+](C)CCc1ccncc1 ZINC000062740966 520516919 /nfs/dbraw/zinc/51/69/19/520516919.db2.gz RFRVMEXXCCLPAY-AWEZNQCLSA-N 2 0 251.374 1.310 10 0 CDAERP CCO[C@H](C[NH3+])C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062739951 520518195 /nfs/dbraw/zinc/51/81/95/520518195.db2.gz GJDQZBHCUXLNCH-OAHLLOKOSA-N 3 0 269.433 1.158 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@@H]1CCC[C@H]([NH3+])[C@@H]1C ZINC000055123405 520616960 /nfs/dbraw/zinc/61/69/60/520616960.db2.gz GENZPTVYKITAKR-MCIONIFRSA-N 2 0 269.433 1.598 10 0 CDAERP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H](C)Cc1ccsc1 ZINC000049181849 520737351 /nfs/dbraw/zinc/73/73/51/520737351.db2.gz NWQMCQXOQWQKRI-GXTWGEPZSA-N 2 0 270.442 1.971 10 0 CDAERP CC1CC[NH+](CCNC(=O)C2CCC(C[NH3+])CC2)CC1 ZINC000055162022 521010485 /nfs/dbraw/zinc/01/04/85/521010485.db2.gz MDZYVEIMOXZALH-UHFFFAOYSA-N 2 0 281.444 1.600 10 0 CDAERP CC[N@H+](CCN1CCC[NH2+]CC1)Cc1ccco1 ZINC000061275258 521046278 /nfs/dbraw/zinc/04/62/78/521046278.db2.gz RYRWTFPHBYZEBG-UHFFFAOYSA-N 2 0 251.374 1.397 10 0 CDAERP CC[N@H+](CCOC)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052183288 521134922 /nfs/dbraw/zinc/13/49/22/521134922.db2.gz JHMIAJQVFMNMJA-UHFFFAOYSA-N 2 0 270.417 1.504 10 0 CDAERP CCC(CC)[C@@H](CNC(=O)C(C)(C)[NH2+]C)[NH+](C)C ZINC000061318448 521602893 /nfs/dbraw/zinc/60/28/93/521602893.db2.gz TVRHFJXIDTYGQK-GFCCVEGCSA-N 2 0 257.422 1.467 10 0 CDAERP CCCN(CC[NH+](C)C)[C@@]1(C[NH3+])CCCSC1 ZINC000061590286 521657762 /nfs/dbraw/zinc/65/77/62/521657762.db2.gz SEWPZLFCQOBDIM-CYBMUJFWSA-N 2 0 259.463 1.485 10 0 CDAERP CCCN(CC[NH2+]C1CCOCC1)CC[NH+](C)C ZINC000062767827 521660975 /nfs/dbraw/zinc/66/09/75/521660975.db2.gz CQWXVRBBWHFQPY-UHFFFAOYSA-N 2 0 257.422 1.029 10 0 CDAERP CC[NH+]1CCN([C@@H](C[NH3+])c2cccc3cccnc32)CC1 ZINC000069502255 521691392 /nfs/dbraw/zinc/69/13/92/521691392.db2.gz ITSYOBORNXPOIK-INIZCTEOSA-N 2 0 284.407 1.872 10 0 CDAERP CC[NH+]1CCN([C@H](C[NH3+])c2ccc(OC)c(C)c2)CC1 ZINC000050596477 521694759 /nfs/dbraw/zinc/69/47/59/521694759.db2.gz KHOWWGYBJPBPIT-OAHLLOKOSA-N 2 0 277.412 1.641 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1Cc1ccccc1C(N)=[NH2+] ZINC000061644679 521842030 /nfs/dbraw/zinc/84/20/30/521842030.db2.gz IHSRCEVWJBENNL-ZDUSSCGKSA-N 2 0 260.385 1.497 10 0 CDAERP C[NH2+]C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C[NH+]1CCCC1 ZINC000054628953 521957493 /nfs/dbraw/zinc/95/74/93/521957493.db2.gz WRJBPDQRNIPBTF-AVOUXACISA-N 2 0 251.418 1.686 10 0 CDAERP C[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)CCc2ccncc2)O1 ZINC000052483142 522059449 /nfs/dbraw/zinc/05/94/49/522059449.db2.gz QKYDCBRQWWDHSX-GJZGRUSLSA-N 2 0 263.385 1.323 10 0 CDAERP C[NH2+]Cc1cccc(OCCN2CCC[N@H+](C)CC2)c1 ZINC000052424245 522133407 /nfs/dbraw/zinc/13/34/07/522133407.db2.gz GGFIZOMXJJWGFM-UHFFFAOYSA-N 2 0 277.412 1.422 10 0 CDAERP C[NH2+]Cc1cn(CC[N@H+](Cc2ccsc2)C2CC2)nn1 ZINC000052542040 522144400 /nfs/dbraw/zinc/14/44/00/522144400.db2.gz YOLDVRIRPJAJBU-UHFFFAOYSA-N 2 0 291.424 1.724 10 0 CDAERP CC[C@H](C[NH2+]CC(C)C)N1CC[NH+](C2CC2)CC1 ZINC000052371269 522194185 /nfs/dbraw/zinc/19/41/85/522194185.db2.gz GFRVKZXPZZGGNE-CQSZACIVSA-N 2 0 253.434 1.791 10 0 CDAERP C[NH2+][C@@H](C)c1cnc(N2CCC[C@@H]2C[NH+](C)C)s1 ZINC000061655467 522336064 /nfs/dbraw/zinc/33/60/64/522336064.db2.gz GCRCWBVLYNTPHX-WDEREUQCSA-N 2 0 268.430 1.954 10 0 CDAERP C[NH2+][C@@H]1COc2cc(OCC[NH+]3CCCC3)ccc21 ZINC000062804165 522397232 /nfs/dbraw/zinc/39/72/32/522397232.db2.gz XIMNAPCJZFTQFA-CQSZACIVSA-N 2 0 262.353 1.814 10 0 CDAERP C[NH2+][C@H](CN1CC[NH+](CC(C)C)CC1)C(C)(C)C ZINC000055078796 522468339 /nfs/dbraw/zinc/46/83/39/522468339.db2.gz DZZBEOFGMYDEMZ-CQSZACIVSA-N 2 0 255.450 1.894 10 0 CDAERP CC[C@@H]([NH3+])[C@H](c1ccccn1)N1CC[C@H]([NH+](C)C)C1 ZINC000062964184 522653753 /nfs/dbraw/zinc/65/37/53/522653753.db2.gz VSUVGZGFGSUWNW-GZBFAFLISA-N 2 0 262.401 1.496 10 0 CDAERP CC[C@H]1CCC(=O)[C@H](C[NH+]2CCN(CC[NH+](C)C)CC2)C1 ZINC000061653424 522992268 /nfs/dbraw/zinc/99/22/68/522992268.db2.gz XUCUQNKCAXOFPK-HOTGVXAUSA-N 2 0 295.471 1.561 10 0 CDAERP CC[C@](C)(C[NH2+]C(C)C)CN1CCN(CC[NH+](C)C)CC1 ZINC000061653744 523463484 /nfs/dbraw/zinc/46/34/84/523463484.db2.gz XJMPTYLXJDSNLN-QGZVFWFLSA-N 2 0 298.519 1.580 10 0 CDAERP CCn1ccnc1N1CC[NH+](CCCCC[NH3+])CC1 ZINC000050607936 523547421 /nfs/dbraw/zinc/54/74/21/523547421.db2.gz TWOQHFOSHYUZEX-UHFFFAOYSA-N 2 0 265.405 1.154 10 0 CDAERP COCC[NH+](CCOC)C[C@@H]1C[C@@H](C)CC[C@@H]1[NH3+] ZINC000053878212 523717080 /nfs/dbraw/zinc/71/70/80/523717080.db2.gz ZATSSZCUYUVIFI-IHRRRGAJSA-N 2 0 258.406 1.345 10 0 CDAERP COCC[NH+](CCOC)Cc1cc([C@H](C)[NH3+])ccc1OC ZINC000048895391 523720022 /nfs/dbraw/zinc/72/00/22/523720022.db2.gz HRUMPNDZEOQQEX-ZDUSSCGKSA-N 2 0 296.411 1.810 10 0 CDAERP C[NH+]1CCC(N2CCC[NH2+][C@H](Cc3ccccc3)C2)CC1 ZINC000062704328 523768659 /nfs/dbraw/zinc/76/86/59/523768659.db2.gz DPFWFQIDGSXYPT-QGZVFWFLSA-N 2 0 287.451 1.987 10 0 CDAERP C[N@@H+]1CCC[C@@H](CNC(=O)CC[C@@H]2CCCC[NH2+]2)C1 ZINC000050951730 523811329 /nfs/dbraw/zinc/81/13/29/523811329.db2.gz MAWSELJVGCVDCI-KBPBESRZSA-N 2 0 267.417 1.367 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000052497302 523842552 /nfs/dbraw/zinc/84/25/52/523842552.db2.gz FYVPZJNTZHSAIB-LBPRGKRZSA-N 2 0 296.459 1.689 10 0 CDAERP C[NH+](C)C1CCN(C[C@H]2CC[C@H](C[NH2+]C(C)(C)C)O2)CC1 ZINC000052477808 524040349 /nfs/dbraw/zinc/04/03/49/524040349.db2.gz CLWYEYSACUUIQK-HZPDHXFCSA-N 2 0 297.487 1.948 10 0 CDAERP C[C@H]1CCC[C@H]([N@H+](C)CCn2cc(C[NH3+])nn2)C1 ZINC000052513841 524202007 /nfs/dbraw/zinc/20/20/07/524202007.db2.gz ASUGNTSFONEILD-AAEUAGOBSA-N 2 0 251.378 1.247 10 0 CDAERP Cc1cc(C)c(C[NH3+])c(N2CCC[C@@H]2C[NH+](C)C)n1 ZINC000061641602 524260966 /nfs/dbraw/zinc/26/09/66/524260966.db2.gz YJYYHBBQSVCOAA-CYBMUJFWSA-N 2 0 262.401 1.688 10 0 CDAERP C[C@@H]1CCC[C@@H]([NH2+]CCN2CC[C@H]([NH+](C)C)C2)C1 ZINC000062974075 524315402 /nfs/dbraw/zinc/31/54/02/524315402.db2.gz MDABADJBMKBHIF-KFWWJZLASA-N 2 0 253.434 1.791 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055141886 524601007 /nfs/dbraw/zinc/60/10/07/524601007.db2.gz DWBHTUXXURDBGL-KKUMJFAQSA-N 2 0 281.444 1.885 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1CCC[C@@H](C)[NH2+]1 ZINC000049502508 524604938 /nfs/dbraw/zinc/60/49/38/524604938.db2.gz PHAZQVKNQZCXBF-RDBSUJKOSA-N 2 0 267.417 1.508 10 0 CDAERP C[C@]([NH3+])(C(=O)NC1CCC([NH3+])CC1)c1ccccc1 ZINC000052883157 525145935 /nfs/dbraw/zinc/14/59/35/525145935.db2.gz TXUWPHZIUBVETP-SSDMNJCBSA-N 2 0 261.369 1.247 10 0 CDAERP COc1ccc([C@@H](O)C[NH2+][C@H](C)CC[NH+](C)C)cc1 ZINC000049557324 525207271 /nfs/dbraw/zinc/20/72/71/525207271.db2.gz WVLDKHJBNZYQND-DOMZBBRYSA-N 2 0 266.385 1.658 10 0 CDAERP Cc1ccc([C@@H]([NH3+])CN2CCN(CC[NH+](C)C)CC2)cc1 ZINC000061643897 525764619 /nfs/dbraw/zinc/76/46/19/525764619.db2.gz XYBMATBAACSYPM-KRWDZBQOSA-N 2 0 290.455 1.174 10 0 CDAERP C[C@H](c1cccs1)[N@H+](C)CC1(O)CC[NH2+]CC1 ZINC000051016292 526153709 /nfs/dbraw/zinc/15/37/09/526153709.db2.gz BAOZCHROBWWZDR-LLVKDONJSA-N 2 0 254.399 1.855 10 0 CDAERP COc1cccc(N2CC[NH+]([C@H](C)C[C@H](C)[NH3+])CC2)c1 ZINC000068654188 526157415 /nfs/dbraw/zinc/15/74/15/526157415.db2.gz UYPJDCMLRKJWSQ-UONOGXRCSA-N 2 0 277.412 1.943 10 0 CDAERP Cc1oc(C[NH3+])cc1CN1CC[NH+](CC(C)C)CC1 ZINC000055082867 526768946 /nfs/dbraw/zinc/76/89/46/526768946.db2.gz NTXLHDDLUPYOOA-UHFFFAOYSA-N 2 0 265.401 1.820 10 0 CDAERP [NH3+]CCC[N@H+](CC(=O)NC1CCOCC1)C1CCCCC1 ZINC000062768143 527178185 /nfs/dbraw/zinc/17/81/85/527178185.db2.gz PDSGGNKIUWEKSO-UHFFFAOYSA-N 2 0 297.443 1.265 10 0 CDAERP [NH3+]C[C@H]1CC[C@H](C[NH+]2CCN(c3ccccc3)CC2)O1 ZINC000052417321 527241089 /nfs/dbraw/zinc/24/10/89/527241089.db2.gz CRKVLSJYCZBQLA-HZPDHXFCSA-N 2 0 275.396 1.315 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@H](C)[C@@H](C)[NH3+])C1 ZINC000417907202 527985741 /nfs/dbraw/zinc/98/57/41/527985741.db2.gz DPNUKIOJZPJPDC-MGPQQGTHSA-N 2 0 284.448 1.389 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1cccc2c1OCO2 ZINC000234731845 536596323 /nfs/dbraw/zinc/59/63/23/536596323.db2.gz RRNAKJGTFKKXNX-GFCCVEGCSA-N 2 0 266.341 1.259 10 0 CDAERP CC[C@@H](C(=O)NC1CC([NH+](C)C)C1)[NH+](CC)CC ZINC000773487737 575815109 /nfs/dbraw/zinc/81/51/09/575815109.db2.gz OGAUFRBGAOSZGE-BPCQOVAHSA-N 2 0 255.406 1.316 10 0 CDAERP CC(C)C[NH2+][C@H]1C[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001688916738 1175066704 /nfs/dbraw/zinc/06/67/04/1175066704.db2.gz RFCFEQLFQDDVOM-OKILXGFUSA-N 2 0 267.417 1.223 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]CCCO ZINC001689910139 1175302383 /nfs/dbraw/zinc/30/23/83/1175302383.db2.gz ZASZZSUAKPMUPH-HUUCEWRRSA-N 2 0 299.459 1.070 10 0 CDAERP COCCCC[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001690231187 1175408182 /nfs/dbraw/zinc/40/81/82/1175408182.db2.gz KFEPWJUMWMMBLF-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP C(C[NH2+][C@H]1CCCN2CCCC[C@H]12)CN1CCOCC1 ZINC000924535900 617409087 /nfs/dbraw/zinc/40/90/87/617409087.db2.gz ZOAGJWYPEVZFIC-JKSUJKDBSA-N 2 0 281.444 1.315 10 0 CDAERP CCc1nncn1CC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925516827 617426639 /nfs/dbraw/zinc/42/66/39/617426639.db2.gz SWEZDMANQSTTGX-HUUCEWRRSA-N 2 0 291.443 1.598 10 0 CDAERP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1cnn(C)c1 ZINC000925519459 617430149 /nfs/dbraw/zinc/43/01/49/617430149.db2.gz CSAXFNBYFWWBOF-CYZMBNFOSA-N 2 0 250.390 1.977 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925554138 617503924 /nfs/dbraw/zinc/50/39/24/617503924.db2.gz YVKFJWNRFUGMLM-VMMWWAARSA-N 2 0 277.456 1.835 10 0 CDAERP CCC(=O)N1CC[C@H]([NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000925556807 617507784 /nfs/dbraw/zinc/50/77/84/617507784.db2.gz ABFNQKOHCBFAOV-NEBZKDRISA-N 2 0 279.428 1.364 10 0 CDAERP C[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)[C@@H]1CCCO1 ZINC000925842699 617874778 /nfs/dbraw/zinc/87/47/78/617874778.db2.gz BXXNYULDSPZNGW-GJZGRUSLSA-N 2 0 269.433 1.219 10 0 CDAERP CCc1noc([C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3[NH3+])C2)n1 ZINC000925872365 617932389 /nfs/dbraw/zinc/93/23/89/617932389.db2.gz CEUCCXMYZZFKKE-NOOOWODRSA-N 2 0 264.373 1.738 10 0 CDAERP C[C@H](CCCO)C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925681349 617657368 /nfs/dbraw/zinc/65/73/68/617657368.db2.gz XHMJAPKWIBQWPW-MQYQWHSLSA-N 2 0 254.418 1.761 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC[C@H]1CC(C)(C)CO1 ZINC000925775416 617665559 /nfs/dbraw/zinc/66/55/59/617665559.db2.gz QEQXHLUPUUGBDH-XDQVBPFNSA-N 2 0 270.417 1.534 10 0 CDAERP CSCc1n[nH]c(C[NH2+][C@@H](C)CCCC[NH3+])n1 ZINC000925777612 617675358 /nfs/dbraw/zinc/67/53/58/617675358.db2.gz OWXQTTADNXDJJJ-VIFPVBQESA-N 2 0 257.407 1.275 10 0 CDAERP C[C@@H](N[C@@H]1C[NH2+]C[C@H]1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000925783552 617701692 /nfs/dbraw/zinc/70/16/92/617701692.db2.gz DKMCMFSSIVXORF-CKEIUWERSA-N 2 0 291.439 1.886 10 0 CDAERP CC1(C)C[C@@H](NC[C@@]2(C)CCC[NH2+]C2)C[C@@H]([NH3+])C1 ZINC000925699150 617738271 /nfs/dbraw/zinc/73/82/71/617738271.db2.gz NDLQVXDSUNCBLM-IPYPFGDCSA-N 2 0 253.434 1.872 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)CC1 ZINC000925817403 617772535 /nfs/dbraw/zinc/77/25/35/617772535.db2.gz RKSQJXQJEARKKS-IIAWOOMASA-N 2 0 281.444 1.204 10 0 CDAERP CC1(C)C[C@@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C[C@@H]([NH3+])C1 ZINC000925704042 617772775 /nfs/dbraw/zinc/77/27/75/617772775.db2.gz FYFHLFZSGLTSED-JARUQAPTSA-N 3 0 265.445 1.870 10 0 CDAERP CC1(C)CCC[C@@H]1[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925855093 617893447 /nfs/dbraw/zinc/89/34/47/617893447.db2.gz OHOLSFJCKDFAOL-OLZOCXBDSA-N 2 0 280.412 1.840 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC[C@H]1CCOC1=O ZINC000925732530 618046099 /nfs/dbraw/zinc/04/60/99/618046099.db2.gz YMMBSVDKDNJREN-OMXXWXSESA-N 2 0 266.385 1.435 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCC[C@H](CO)C1 ZINC000926593835 618142984 /nfs/dbraw/zinc/14/29/84/618142984.db2.gz ABILVIDHRFNSJE-OFBDQPAMSA-N 2 0 252.402 1.467 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCC[C@@H](CO)C1 ZINC000926593832 618143070 /nfs/dbraw/zinc/14/30/70/618143070.db2.gz ABILVIDHRFNSJE-BUWKTABGSA-N 2 0 252.402 1.467 10 0 CDAERP C[NH+](C)CCCN[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925503689 618157590 /nfs/dbraw/zinc/15/75/90/618157590.db2.gz OXWYGFODJYDNKF-GJZGRUSLSA-N 2 0 253.434 1.696 10 0 CDAERP C(C[NH2+]C1CC1)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000923363114 618323705 /nfs/dbraw/zinc/32/37/05/618323705.db2.gz UILYMBLEQHYQLC-KGLIPLIRSA-N 3 0 251.418 1.450 10 0 CDAERP CC(C)COC[C@H](O)C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000923426428 618333319 /nfs/dbraw/zinc/33/33/19/618333319.db2.gz DKORQQLREIWJHG-HZPDHXFCSA-N 2 0 284.444 1.486 10 0 CDAERP COC(=O)[C@@H]1[C@@H](C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)C1(F)F ZINC000895392402 619627234 /nfs/dbraw/zinc/62/72/34/619627234.db2.gz PHTSVLVQSHVNOU-TUAOUCFPSA-N 2 0 290.354 1.362 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CO[C@H](C)[C@H]1C ZINC000925241854 620611171 /nfs/dbraw/zinc/61/11/71/620611171.db2.gz SYDSDJKMTJNAHQ-AAVRWANBSA-N 2 0 258.406 1.356 10 0 CDAERP C[C@H]1[C@H](NC(=O)N(C)CC2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000925330218 621570942 /nfs/dbraw/zinc/57/09/42/621570942.db2.gz SSBVKMVYIDURMI-GXTWGEPZSA-N 2 0 282.432 1.062 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCOCC(F)(F)F ZINC000924641391 621627362 /nfs/dbraw/zinc/62/73/62/621627362.db2.gz FHZFGTPCRCIXAU-FOSCPWQOSA-N 2 0 280.334 1.885 10 0 CDAERP CCO[C@H](CN[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C[NH+](C)C ZINC000926958882 621630488 /nfs/dbraw/zinc/63/04/88/621630488.db2.gz HXUAHVGJMQOEIY-PMPSAXMXSA-N 2 0 283.460 1.560 10 0 CDAERP C[C@H](NC(=[NH2+])NCC[N@@H+]1CCCC[C@H]1C)C1CC1 ZINC000899266927 622127672 /nfs/dbraw/zinc/12/76/72/622127672.db2.gz ZFWQEWLSKMHHJO-NEPJUHHUSA-N 2 0 252.406 1.773 10 0 CDAERP C[C@H](NC(=[NH2+])NCC1([NH+]2CCCC2)CCOCC1)C1CC1 ZINC000899267687 622145539 /nfs/dbraw/zinc/14/55/39/622145539.db2.gz SPPPDRHXKDNPAN-ZDUSSCGKSA-N 2 0 294.443 1.544 10 0 CDAERP O=C(NCCC[NH+]1CCCCC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000899991592 622607868 /nfs/dbraw/zinc/60/78/68/622607868.db2.gz SNQNEQMWVUXFKZ-CVEARBPZSA-N 2 0 293.455 1.996 10 0 CDAERP C[NH+](C)CCN(Cc1ccco1)C(=O)C12CC[NH+](CC1)C2 ZINC000901012227 623800889 /nfs/dbraw/zinc/80/08/89/623800889.db2.gz MNZKTBOBPFSQTD-UHFFFAOYSA-N 2 0 291.395 1.266 10 0 CDAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@H]21 ZINC000901105406 623888055 /nfs/dbraw/zinc/88/80/55/623888055.db2.gz UFWMSJVZMFZXKY-ZIAGYGMSSA-N 2 0 277.412 1.025 10 0 CDAERP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902461241 624851205 /nfs/dbraw/zinc/85/12/05/624851205.db2.gz MXUCVXJVEVLBER-IGBMMGQUSA-N 2 0 299.418 1.725 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C2CC(CC(N)=O)C2)CC1(C)C ZINC000903252719 625930787 /nfs/dbraw/zinc/93/07/87/625930787.db2.gz HHOMMVJQKJRZRP-CXQJBGSLSA-N 2 0 253.390 1.103 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](C)C1 ZINC000903301878 625961445 /nfs/dbraw/zinc/96/14/45/625961445.db2.gz WLXYXDKSNQRFEX-WCXIOVBPSA-N 2 0 297.487 1.806 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]C[C@@]2(OC)CCSC2)[C@@H](C)C1 ZINC000903311445 625969758 /nfs/dbraw/zinc/96/97/58/625969758.db2.gz UEXVRZGJSCBBGO-IHRRRGAJSA-N 2 0 272.458 1.828 10 0 CDAERP C[N@@H+](Cc1nnc2ccccn21)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903442691 625997436 /nfs/dbraw/zinc/99/74/36/625997436.db2.gz YLMXPBOOTTYDRP-NEPJUHHUSA-N 2 0 259.357 1.289 10 0 CDAERP CC(C)Cc1ccccc1C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000903453943 626001662 /nfs/dbraw/zinc/00/16/62/626001662.db2.gz PYUUXRGBUSISTP-HNNXBMFYSA-N 2 0 250.386 1.637 10 0 CDAERP CCOC(=O)N(C)C1CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903454874 626002061 /nfs/dbraw/zinc/00/20/61/626002061.db2.gz MFJINVGGOAGVOT-OLZOCXBDSA-N 2 0 283.416 1.395 10 0 CDAERP C[C@@H]1C[N@@H+]([C@@H](C(N)=O)c2ccccc2)C[C@H]1CC[NH3+] ZINC000903496124 626011718 /nfs/dbraw/zinc/01/17/18/626011718.db2.gz GRTJBVGZVDOPIX-MRVWCRGKSA-N 2 0 261.369 1.130 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)N(C)[C@H]2CCCC[C@H]2C)C[C@H]1CC[NH3+] ZINC000903496719 626011872 /nfs/dbraw/zinc/01/18/72/626011872.db2.gz ABLJUTQJOMZIHT-FPCVCCKLSA-N 2 0 295.471 1.940 10 0 CDAERP C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496520 626012191 /nfs/dbraw/zinc/01/21/91/626012191.db2.gz QSWMFGXRHQXJHD-OXGONZEZSA-N 2 0 295.471 1.987 10 0 CDAERP [NH3+][C@H]1CN(CC2CC[NH2+]CC2)CC[C@@H]1C(F)(F)F ZINC000903535331 626018927 /nfs/dbraw/zinc/01/89/27/626018927.db2.gz YLXMQEIPHYERMZ-QWRGUYRKSA-N 2 0 265.323 1.198 10 0 CDAERP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000903778368 626090768 /nfs/dbraw/zinc/09/07/68/626090768.db2.gz LYTZLBLTTFWABU-AJNGGQMLSA-N 2 0 282.453 1.440 10 0 CDAERP C([C@@H]1C[C@H]2COC[C@@H]2O1)[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903784078 626093072 /nfs/dbraw/zinc/09/30/72/626093072.db2.gz KRKFYHWNYQXQST-YHUYYLMFSA-N 2 0 280.412 1.256 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)cnn1C ZINC000903888524 626123871 /nfs/dbraw/zinc/12/38/71/626123871.db2.gz DZMJGDJZHWROSS-MBNYWOFBSA-N 2 0 296.484 1.672 10 0 CDAERP O=C(NC1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1)C1CC1 ZINC000903878104 626130121 /nfs/dbraw/zinc/13/01/21/626130121.db2.gz FSWURKYBXORJFG-SFESLNEESA-N 2 0 291.439 1.508 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@@H+](C)CCC(C)C)cnn1C ZINC000903880883 626130878 /nfs/dbraw/zinc/13/08/78/626130878.db2.gz WQFOCSBRZQHCTN-AWEZNQCLSA-N 2 0 266.433 1.824 10 0 CDAERP COC(=O)[C@@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903884106 626132504 /nfs/dbraw/zinc/13/25/04/626132504.db2.gz RTFJRYTUFLFWIA-HYWTVENDSA-N 2 0 252.358 1.012 10 0 CDAERP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000903895041 626136037 /nfs/dbraw/zinc/13/60/37/626136037.db2.gz JXJCECZDHBMBPJ-CHEQUFIKSA-N 2 0 250.386 1.628 10 0 CDAERP CCOC(=O)[C@H](C)[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000903909189 626143082 /nfs/dbraw/zinc/14/30/82/626143082.db2.gz CNHGTAMSPWUAKT-FUDCBSFHSA-N 2 0 280.412 1.933 10 0 CDAERP [NH3+]CC[C@H](NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(F)(F)F ZINC000903920926 626147195 /nfs/dbraw/zinc/14/71/95/626147195.db2.gz XVOZOTWCTSHEAN-GYIHNLGQSA-N 2 0 265.323 1.386 10 0 CDAERP CCC(CC)[C@H](O)C[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903923292 626148402 /nfs/dbraw/zinc/14/84/02/626148402.db2.gz QCYLTWZOXLJUOY-CHEQUFIKSA-N 2 0 254.418 1.904 10 0 CDAERP O=C1[C@@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)CCN1C1CCC1 ZINC000903936098 626154478 /nfs/dbraw/zinc/15/44/78/626154478.db2.gz YFEXJRFNLNJJTQ-KRWDZBQOSA-N 2 0 299.418 1.575 10 0 CDAERP FC1(F)CC[NH2+]C[C@H]1C[NH2+][C@@H]1CCCSC1 ZINC000903957009 626157764 /nfs/dbraw/zinc/15/77/64/626157764.db2.gz OWIJLEZEJKGQEB-VHSXEESVSA-N 2 0 250.358 1.716 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)CC[NH2+]1 ZINC000903955043 626166685 /nfs/dbraw/zinc/16/66/85/626166685.db2.gz ZFENNUXIUNYDCZ-APIJFGDWSA-N 2 0 252.402 1.875 10 0 CDAERP CCCC[C@H](COC)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903971777 626168035 /nfs/dbraw/zinc/16/80/35/626168035.db2.gz DVIQTMYWTVTIOL-HUUCEWRRSA-N 2 0 284.444 1.940 10 0 CDAERP Cc1cc(C)n2c(C[N@H+]3C[C@@H](C)[C@H](CC[NH3+])C3)cnc2n1 ZINC000903977361 626169939 /nfs/dbraw/zinc/16/99/39/626169939.db2.gz PMJBWMSTXPPVGA-BXUZGUMPSA-N 2 0 287.411 1.763 10 0 CDAERP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc1F ZINC000903964756 626171257 /nfs/dbraw/zinc/17/12/57/626171257.db2.gz PWGMFPXYFQFLEC-PWSUYJOCSA-N 2 0 252.333 1.779 10 0 CDAERP Cc1ccc(-c2nn(C)cc2C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)o1 ZINC000903968394 626172594 /nfs/dbraw/zinc/17/25/94/626172594.db2.gz UWJJUMAHDLLZDO-YPMHNXCESA-N 2 0 288.395 1.934 10 0 CDAERP [NH3+]C1CC(Cc2nc(-c3ccn4c[nH+]cc4c3)no2)C1 ZINC000904115669 626195254 /nfs/dbraw/zinc/19/52/54/626195254.db2.gz AHAAUSGBMXWJIA-UHFFFAOYSA-N 2 0 269.308 1.664 10 0 CDAERP CON1CC[C@@H](N[C@H](CC[NH+](C)C)C(C)(C)C)C1=O ZINC000905004326 626372485 /nfs/dbraw/zinc/37/24/85/626372485.db2.gz HDUZORMGTLLXCY-VXGBXAGGSA-N 2 0 271.405 1.105 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@@H]1CC[NH+](C)[C@H]1C ZINC000905647321 626915574 /nfs/dbraw/zinc/91/55/74/626915574.db2.gz DACDPRRFGZPSKY-YNEHKIRRSA-N 2 0 284.473 1.027 10 0 CDAERP CC1=CC[N@H+](CCNC(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC000907387196 627633735 /nfs/dbraw/zinc/63/37/35/627633735.db2.gz ZVQBOWRWTVEVTB-HZPDHXFCSA-N 2 0 291.439 1.772 10 0 CDAERP CC(C)[C@H](C(=O)N1CC([NH+]2CCCC2)C1)[NH+]1CCCCC1 ZINC000912324546 629935700 /nfs/dbraw/zinc/93/57/00/629935700.db2.gz DQLHEZPPASIXNQ-MRXNPFEDSA-N 2 0 293.455 1.804 10 0 CDAERP C[C@@H](C(=O)N1CC[C@H]([NH+]2CCC2)C1)[NH+]1CCCCCC1 ZINC000912915661 630284637 /nfs/dbraw/zinc/28/46/37/630284637.db2.gz IBVWJQPVLFJLGT-GJZGRUSLSA-N 2 0 279.428 1.558 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)CC[N@@H+]1C ZINC000913279962 630423170 /nfs/dbraw/zinc/42/31/70/630423170.db2.gz YNSLCQJWKMHCKF-OTRWWLKZSA-N 2 0 293.455 1.517 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2C[C@]3(C)C[NH+](C)C[C@]3(C)C2)CC[N@@H+]1C ZINC000913272844 630425744 /nfs/dbraw/zinc/42/57/44/630425744.db2.gz BLRGLJCBJDSNGE-XOUADPBQSA-N 2 0 279.428 1.127 10 0 CDAERP C[N@@H+]1C[C@@]2(C)CN(C(=O)CNc3ccccn3)C[C@@]2(C)C1 ZINC000913274427 630426696 /nfs/dbraw/zinc/42/66/96/630426696.db2.gz MHAUTNWSIZJUPZ-IYBDPMFKSA-N 2 0 288.395 1.294 10 0 CDAERP C[NH+](C)CCCCC(=O)N1CCC(C)([NH+](C)C)CC1 ZINC000913398353 630467233 /nfs/dbraw/zinc/46/72/33/630467233.db2.gz YKAVFRXZZYEHFQ-UHFFFAOYSA-N 2 0 269.433 1.661 10 0 CDAERP C[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH+]1CCCCC1 ZINC000914278117 631303280 /nfs/dbraw/zinc/30/32/80/631303280.db2.gz RPEJWAKFWSBXJQ-RBSFLKMASA-N 2 0 296.459 1.500 10 0 CDAERP C[C@H]1[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC[N@@H+]1C ZINC000920658138 632820477 /nfs/dbraw/zinc/82/04/77/632820477.db2.gz CQLLAUOTISCVSA-MNFFZHCASA-N 2 0 294.443 1.394 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000389586303 1158757183 /nfs/dbraw/zinc/75/71/83/1158757183.db2.gz NBJJSNXIWDBGES-YNEHKIRRSA-N 2 0 253.390 1.104 10 0 CDAERP CN(CC[NH2+]CCC(C)(C)C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001267354936 1159293497 /nfs/dbraw/zinc/29/34/97/1159293497.db2.gz CPPBDIADSPDFAH-CYBMUJFWSA-N 2 0 269.433 1.565 10 0 CDAERP CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001268556915 1159969785 /nfs/dbraw/zinc/96/97/85/1159969785.db2.gz PSKVLBIBSPXZDO-WFVIONGDSA-N 2 0 279.428 1.675 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H]1C[NH2+]CC1CCC1 ZINC001270128789 1160091731 /nfs/dbraw/zinc/09/17/31/1160091731.db2.gz JOZVMURGNWQQSH-AWEZNQCLSA-N 2 0 267.417 1.319 10 0 CDAERP CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@@H]2C1 ZINC001691578776 1160704700 /nfs/dbraw/zinc/70/47/00/1160704700.db2.gz LSCHGMSRZNQICY-CVEARBPZSA-N 2 0 295.471 1.909 10 0 CDAERP COC[C@H](C)[N@H+](C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001437570440 1161965986 /nfs/dbraw/zinc/96/59/86/1161965986.db2.gz OWMIPUYFPQWASN-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001623983089 1165810704 /nfs/dbraw/zinc/81/07/04/1165810704.db2.gz PWPSAMZOUNZLKD-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)CC[NH+](C)C ZINC001641959268 1167146682 /nfs/dbraw/zinc/14/66/82/1167146682.db2.gz YIQQKUMZRLHDPG-STQMWFEESA-N 2 0 257.422 1.419 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001645745757 1167485622 /nfs/dbraw/zinc/48/56/22/1167485622.db2.gz GLLVAJPQKSFCBS-RBSFLKMASA-N 2 0 298.475 1.889 10 0 CDAERP O=C1[C@@H]([N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)CCN1C1CC1 ZINC001645954175 1167587336 /nfs/dbraw/zinc/58/73/36/1167587336.db2.gz WFFOTXWATYMZFG-HOCLYGCPSA-N 2 0 291.439 1.461 10 0 CDAERP C(C1CCOCC1)[C@H]1COCCN1C[C@H]1CCC[NH2+]C1 ZINC001647548696 1168809059 /nfs/dbraw/zinc/80/90/59/1168809059.db2.gz WPYBBNBEWRECOF-HOTGVXAUSA-N 2 0 282.428 1.504 10 0 CDAERP CCOCC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001671246527 1169420832 /nfs/dbraw/zinc/42/08/32/1169420832.db2.gz UGUMMBKOXPDHDV-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP CC[NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001568850896 1169518602 /nfs/dbraw/zinc/51/86/02/1169518602.db2.gz UGGPCKKTZZXMDJ-VOTSOKGWSA-N 2 0 267.417 1.533 10 0 CDAERP CCC[NH2+]C/C=C/CNC(=O)C1([NH+](C)C)CCC1 ZINC001568863648 1169523402 /nfs/dbraw/zinc/52/34/02/1169523402.db2.gz YJQLGWCGPKHYJV-AATRIKPKSA-N 2 0 253.390 1.143 10 0 CDAERP C[C@@H](F)CC[NH2+]C/C=C\CNC(=O)C1CC[NH+](C)CC1 ZINC001568912948 1169545780 /nfs/dbraw/zinc/54/57/80/1169545780.db2.gz SWRRLSMFJLQXMP-DHCBQETCSA-N 2 0 285.407 1.338 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001662648821 1172575297 /nfs/dbraw/zinc/57/52/97/1172575297.db2.gz AYFKXYRQZQWZFJ-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@H](C(=O)N[C@](C)(C[NH2+]CCF)C1CC1)[NH+](C)C ZINC001666004120 1173100133 /nfs/dbraw/zinc/10/01/33/1173100133.db2.gz CHYOCMFMYZDHRP-TZMCWYRMSA-N 2 0 273.396 1.171 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]CCF ZINC001668083178 1173366373 /nfs/dbraw/zinc/36/63/73/1173366373.db2.gz XEZWNJGPOKCWEY-CHWSQXEVSA-N 2 0 273.396 1.315 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001669328986 1173537485 /nfs/dbraw/zinc/53/74/85/1173537485.db2.gz WHTBPUWVRMISGA-CHWSQXEVSA-N 2 0 255.406 1.221 10 0 CDAERP CC[NH2+][C@H](C)[C@@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001674781341 1174010208 /nfs/dbraw/zinc/01/02/08/1174010208.db2.gz WBELEANHHUJBNC-ZIAGYGMSSA-N 2 0 269.433 1.755 10 0 CDAERP CCCC[NH2+]C[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001675785159 1174148352 /nfs/dbraw/zinc/14/83/52/1174148352.db2.gz BEPXTRXOHNIMJM-CTYIDZIISA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCF)C1 ZINC001675801416 1174149308 /nfs/dbraw/zinc/14/93/08/1174149308.db2.gz CAESGEXOAJMUCS-KKUMJFAQSA-N 2 0 299.434 1.703 10 0 CDAERP CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001688889279 1175055029 /nfs/dbraw/zinc/05/50/29/1175055029.db2.gz XMLQOMPNYBUQEN-ZIAGYGMSSA-N 2 0 267.417 1.271 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001689802628 1175263059 /nfs/dbraw/zinc/26/30/59/1175263059.db2.gz BFZJCVLTNOHISN-UKRRQHHQSA-N 2 0 299.434 1.514 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]([NH2+]CCCCCF)C2)C1 ZINC001690255488 1175412345 /nfs/dbraw/zinc/41/23/45/1175412345.db2.gz OYSIVUKXGIPYEO-GJZGRUSLSA-N 2 0 299.434 1.659 10 0 CDAERP CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001690713799 1175555130 /nfs/dbraw/zinc/55/51/30/1175555130.db2.gz XLDQOXOJRVACDL-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CCCCCF)C1 ZINC001690730781 1175556567 /nfs/dbraw/zinc/55/65/67/1175556567.db2.gz UDUFMZBVNNLYKW-LSDHHAIUSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001698844579 1175960199 /nfs/dbraw/zinc/96/01/99/1175960199.db2.gz DSQXMLSBIFKQGF-CABCVRRESA-N 2 0 283.460 1.811 10 0 CDAERP C[C@@H](F)CC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001699262841 1176185032 /nfs/dbraw/zinc/18/50/32/1176185032.db2.gz VNUXKOIJZCHIRJ-YNLGZWBXSA-N 2 0 285.407 1.337 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001699369485 1176323850 /nfs/dbraw/zinc/32/38/50/1176323850.db2.gz NLZQJXRKCKRBKL-CQSZACIVSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H](C[NH2+]CC1CCC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001699385704 1176343774 /nfs/dbraw/zinc/34/37/74/1176343774.db2.gz WRNASIMVFWCLOY-TZMCWYRMSA-N 2 0 267.417 1.223 10 0 CDAERP CC[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001699387939 1176345934 /nfs/dbraw/zinc/34/59/34/1176345934.db2.gz KRDLSKJYDLJHSA-OLZOCXBDSA-N 2 0 255.406 1.221 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H](C[NH2+]CCF)C1CC1)[NH+](C)C ZINC001699589479 1176477426 /nfs/dbraw/zinc/47/74/26/1176477426.db2.gz JUBGHMGDOXDFHN-CHWSQXEVSA-N 2 0 273.396 1.027 10 0 CDAERP CCC[NH2+]C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001699592042 1176490682 /nfs/dbraw/zinc/49/06/82/1176490682.db2.gz FXFJNDRLZVVSIE-CYBMUJFWSA-N 2 0 267.417 1.223 10 0 CDAERP CCCC[NH2+]C[C@H](NC(=O)[C@@]12CC[N@H+](C1)CCC2)C1CC1 ZINC001699600644 1176495618 /nfs/dbraw/zinc/49/56/18/1176495618.db2.gz RSIBOPFGYYYYGI-RDJZCZTQSA-N 2 0 293.455 1.757 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]2C[NH2+]C/C=C/Cl)C1 ZINC001699765297 1176613764 /nfs/dbraw/zinc/61/37/64/1176613764.db2.gz GGWCZJAQGQUSRV-LOKFXGJOSA-N 2 0 285.819 1.271 10 0 CDAERP CCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001699955448 1176696322 /nfs/dbraw/zinc/69/63/22/1176696322.db2.gz ZNFUOUQSNDQYDB-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](CC[NH2+]CCC3CC3)C2)C1 ZINC001700088680 1176744053 /nfs/dbraw/zinc/74/40/53/1176744053.db2.gz QWADMIKKQZPPEC-HOTGVXAUSA-N 2 0 293.455 1.566 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)NC1CC(C[NH2+]CCC2CC2)C1 ZINC001700375645 1176882816 /nfs/dbraw/zinc/88/28/16/1176882816.db2.gz IRYBYCHQKXIBMH-GPANFISMSA-N 2 0 293.455 1.755 10 0 CDAERP CC(C)OCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001700755720 1177115994 /nfs/dbraw/zinc/11/59/94/1177115994.db2.gz RSURFNARMZQGAH-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)(C)[C@@H](C[NH2+]CCF)NC(=O)C12CCC[NH+]1CCC2 ZINC001700989632 1177228739 /nfs/dbraw/zinc/22/87/39/1177228739.db2.gz OLCMVLQWDNWYPB-CYBMUJFWSA-N 2 0 299.434 1.705 10 0 CDAERP COCC[N@H+](C)CCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001712982934 1178284461 /nfs/dbraw/zinc/28/44/61/1178284461.db2.gz TZEWIVBWPLWJBT-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[N@H+](CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001713037453 1178324898 /nfs/dbraw/zinc/32/48/98/1178324898.db2.gz VSHWEWTYDNCYLA-MRXNPFEDSA-N 2 0 293.455 1.709 10 0 CDAERP C[NH+]1CCC(CC(=O)N2CC[C@H]([NH2+]CCCF)C2)CC1 ZINC001713150250 1178396520 /nfs/dbraw/zinc/39/65/20/1178396520.db2.gz QUAHNFHUXCQIFC-AWEZNQCLSA-N 2 0 285.407 1.268 10 0 CDAERP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]([NH2+]CC2CC2)C1 ZINC001713172672 1178412821 /nfs/dbraw/zinc/41/28/21/1178412821.db2.gz BGENDNMVUFTWDC-HDJSIYSDSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001713268871 1178461840 /nfs/dbraw/zinc/46/18/40/1178461840.db2.gz JMDGULOYAJMFRM-GJZGRUSLSA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)[NH2+][C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001713328934 1178500385 /nfs/dbraw/zinc/50/03/85/1178500385.db2.gz VLUPTIHHBBJIDG-GFCCVEGCSA-N 2 0 255.406 1.364 10 0 CDAERP CC[NH2+][C@H](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001713414052 1178547687 /nfs/dbraw/zinc/54/76/87/1178547687.db2.gz NFMMAPRHPCGHLD-GFCCVEGCSA-N 2 0 255.406 1.365 10 0 CDAERP CC(C)CC[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001713605024 1178677558 /nfs/dbraw/zinc/67/75/58/1178677558.db2.gz BMNFEKUFLKRBSI-CQSZACIVSA-N 2 0 269.433 1.565 10 0 CDAERP CCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[NH+]1C ZINC001713933857 1178861247 /nfs/dbraw/zinc/86/12/47/1178861247.db2.gz GTQLZROVOWNBGB-JYJNAYRXSA-N 2 0 293.455 1.946 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001713964978 1178894781 /nfs/dbraw/zinc/89/47/81/1178894781.db2.gz SHGSIZGXJBMGFN-IHRRRGAJSA-N 2 0 267.417 1.365 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)[NH2+]CCC1CC1)[NH+](C)C ZINC001714247023 1179045301 /nfs/dbraw/zinc/04/53/01/1179045301.db2.gz OHMGXYZKGMGMQX-WCQYABFASA-N 2 0 255.406 1.221 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]CC1CC(C)C1 ZINC001714309271 1179079588 /nfs/dbraw/zinc/07/95/88/1179079588.db2.gz NREDSPMDMXXSEH-MOKVOYLWSA-N 2 0 269.433 1.467 10 0 CDAERP CN(C(=O)CCCC[NH+](C)C)[C@H]1CC[N@H+](CCCF)C1 ZINC001715029276 1179515489 /nfs/dbraw/zinc/51/54/89/1179515489.db2.gz CJDZYVQQIZHMRN-AWEZNQCLSA-N 2 0 287.423 1.611 10 0 CDAERP CCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001715094693 1179548310 /nfs/dbraw/zinc/54/83/10/1179548310.db2.gz QDBIUROGDXLGFV-KBPBESRZSA-N 2 0 269.433 1.563 10 0 CDAERP CCC[NH2+]CC[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001715149877 1179564678 /nfs/dbraw/zinc/56/46/78/1179564678.db2.gz CJKLCOFXMLWVIA-HNNXBMFYSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)OCC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001715506965 1179686910 /nfs/dbraw/zinc/68/69/10/1179686910.db2.gz ONBPHSXOPKMNDF-GJZGRUSLSA-N 2 0 299.459 1.094 10 0 CDAERP COCCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001715676908 1179761171 /nfs/dbraw/zinc/76/11/71/1179761171.db2.gz QIRPZTRJSYDMCI-KKUMJFAQSA-N 2 0 299.459 1.238 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC/C=C\C[NH2+][C@@H](C)COC)CC[N@@H+]1C ZINC001715816839 1179844126 /nfs/dbraw/zinc/84/41/26/1179844126.db2.gz IZVVQRWIZPXIBC-AOPHHVFOSA-N 2 0 297.443 1.014 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CCCF ZINC001715877977 1179892919 /nfs/dbraw/zinc/89/29/19/1179892919.db2.gz NRMASWALWDHYTR-FOSCPCJNSA-N 2 0 299.434 1.871 10 0 CDAERP CC(C)=CC[NH2+]C/C=C\CNC(=O)C12CC[NH+](CC1)C2 ZINC001715893253 1179901545 /nfs/dbraw/zinc/90/15/45/1179901545.db2.gz NDMJZNQXKKEPFC-ARJAWSKDSA-N 2 0 277.412 1.310 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC/C=C\C[NH2+]C[C@H]1CCCCO1 ZINC001715913046 1179909506 /nfs/dbraw/zinc/90/95/06/1179909506.db2.gz MZRFVOCNEOUGFO-IYKSTZQJSA-N 2 0 297.443 1.158 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001715953304 1179939197 /nfs/dbraw/zinc/93/91/97/1179939197.db2.gz SJDGVOQWGAIEKA-CQSZACIVSA-N 2 0 299.459 1.238 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@@H]1CCC[C@@H]1C[NH2+]CCCF ZINC001716075943 1180033006 /nfs/dbraw/zinc/03/30/06/1180033006.db2.gz TVYLYROUCNNRIJ-ZIAGYGMSSA-N 2 0 285.407 1.316 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(C)C ZINC001716439355 1180210964 /nfs/dbraw/zinc/21/09/64/1180210964.db2.gz LGVIFTDAHIGDTI-KBPBESRZSA-N 2 0 269.433 1.611 10 0 CDAERP CC[N@H+](C)[C@H](C(=O)N[C@@H](C)C[NH2+]CCF)c1ccccc1 ZINC001716459746 1180222418 /nfs/dbraw/zinc/22/24/18/1180222418.db2.gz VLJCXDNBVPXAAJ-ZFWWWQNUSA-N 2 0 295.402 1.743 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCOC ZINC001716791040 1180415872 /nfs/dbraw/zinc/41/58/72/1180415872.db2.gz WALSRRDVSJOBOP-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CCC[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCC1 ZINC001717161790 1180554681 /nfs/dbraw/zinc/55/46/81/1180554681.db2.gz BWANNDDVEZVARD-UHFFFAOYSA-N 2 0 253.390 1.121 10 0 CDAERP CC(C)[NH2+][C@@H](C)[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001717428413 1180667593 /nfs/dbraw/zinc/66/75/93/1180667593.db2.gz GVYDJWCIPIDAQG-QWHCGFSZSA-N 2 0 269.433 1.610 10 0 CDAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CCCO ZINC001717744874 1180822488 /nfs/dbraw/zinc/82/24/88/1180822488.db2.gz JZLQYZCYPZZCGA-LSDHHAIUSA-N 2 0 299.459 1.068 10 0 CDAERP CC(C)CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001717754194 1180831965 /nfs/dbraw/zinc/83/19/65/1180831965.db2.gz LGXOVZUOQYKZII-LSDHHAIUSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]CCOC2CCC2)CN1C(=O)CC[NH+](C)C ZINC001717822407 1180879840 /nfs/dbraw/zinc/87/98/40/1180879840.db2.gz RLFWLAJSAHZTMR-UONOGXRCSA-N 2 0 297.443 1.086 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CCCF)C2)CC1 ZINC001717879594 1180909589 /nfs/dbraw/zinc/90/95/89/1180909589.db2.gz QXUPHLIEEQUAGP-ZIAGYGMSSA-N 2 0 299.434 1.562 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]CCOC)C1 ZINC001717992641 1180961405 /nfs/dbraw/zinc/96/14/05/1180961405.db2.gz IBPIBARDMWDTOS-YMAMQOFZSA-N 2 0 297.443 1.086 10 0 CDAERP CC[NH2+]CCOCCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001718011831 1180968336 /nfs/dbraw/zinc/96/83/36/1180968336.db2.gz WTLLVGSFWNDPMW-OAHLLOKOSA-N 2 0 299.459 1.335 10 0 CDAERP CCCC[C@H](C[NH2+]CC)NC(=O)C12CC[NH+](CC1)C2 ZINC001725234165 1181930653 /nfs/dbraw/zinc/93/06/53/1181930653.db2.gz LVTVKFFFFOEABT-CYBMUJFWSA-N 2 0 267.417 1.367 10 0 CDAERP CCOCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H]1C ZINC001725614966 1182071297 /nfs/dbraw/zinc/07/12/97/1182071297.db2.gz AZHBJNARSZQQJF-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C/C=C\Cl)C1CC1 ZINC001731328434 1182323448 /nfs/dbraw/zinc/32/34/48/1182323448.db2.gz OWVJVYJLALOOHJ-FCIQKIPGSA-N 2 0 299.846 1.804 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)C1CC1 ZINC001731333205 1182325253 /nfs/dbraw/zinc/32/52/53/1182325253.db2.gz QKUAPUBWHZLKBN-CHWSQXEVSA-N 2 0 276.384 1.504 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001731454900 1182397181 /nfs/dbraw/zinc/39/71/81/1182397181.db2.gz CVYJARDAQWYODW-JOCQHMNTSA-N 2 0 255.406 1.365 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001731492881 1182418644 /nfs/dbraw/zinc/41/86/44/1182418644.db2.gz JDLWUADKAXLRBZ-MELADBBJSA-N 2 0 269.433 1.610 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001731492641 1182419497 /nfs/dbraw/zinc/41/94/97/1182419497.db2.gz DESURRUZHSPIAY-GASCZTMLSA-N 2 0 281.444 1.899 10 0 CDAERP CC[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001731726210 1182535303 /nfs/dbraw/zinc/53/53/03/1182535303.db2.gz WFKRYRRPWIFECN-CHWSQXEVSA-N 2 0 255.406 1.364 10 0 CDAERP CCOCC[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001731960428 1182700898 /nfs/dbraw/zinc/70/08/98/1182700898.db2.gz GXFCOGHPQRGQPV-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+]CC=C(Cl)Cl ZINC001731987873 1182714191 /nfs/dbraw/zinc/71/41/91/1182714191.db2.gz NXBKHYHDSBHIII-UHFFFAOYSA-N 2 0 296.242 1.694 10 0 CDAERP CC[C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)[NH2+]CCOC ZINC001732220874 1182866709 /nfs/dbraw/zinc/86/67/09/1182866709.db2.gz XSWMBBFONRJZCV-OAHLLOKOSA-N 2 0 299.459 1.238 10 0 CDAERP C[C@H](C[NH2+]CCC1CC1)N(C)C(=O)C[NH+]1CCCC1 ZINC001732453691 1182973448 /nfs/dbraw/zinc/97/34/48/1182973448.db2.gz HIJGDJAETJHCDB-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CCC[NH+](C)C ZINC001732539834 1183001915 /nfs/dbraw/zinc/00/19/15/1183001915.db2.gz HJJONDDIYPRIJW-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)CC[NH2+]CC[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001732745934 1183105981 /nfs/dbraw/zinc/10/59/81/1183105981.db2.gz KUSOMGKCLGJTCF-HUUCEWRRSA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H](C)CC[NH2+]CCF)[NH+]1CCCC1 ZINC001732754331 1183109706 /nfs/dbraw/zinc/10/97/06/1183109706.db2.gz MADNIZCVYMMXOZ-ZIAGYGMSSA-N 2 0 287.423 1.561 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@@H](C)CC[NH2+]CCF)[NH+]1CCCC1 ZINC001732754328 1183109750 /nfs/dbraw/zinc/10/97/50/1183109750.db2.gz MADNIZCVYMMXOZ-KBPBESRZSA-N 2 0 287.423 1.561 10 0 CDAERP CCC[NH2+]C/C=C/CNC(=O)CC1CC[NH+](C)CC1 ZINC001732908736 1183180930 /nfs/dbraw/zinc/18/09/30/1183180930.db2.gz OQRSFQDMDJPJQH-SNAWJCMRSA-N 2 0 267.417 1.390 10 0 CDAERP CC[C@@H](C)C[NH2+]C/C=C/CNC(=O)C[NH+]1CCCC1 ZINC001732935505 1183190137 /nfs/dbraw/zinc/19/01/37/1183190137.db2.gz KPQDKVQJOTWLRD-ISZGNANSSA-N 2 0 267.417 1.390 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]C/C=C/Cl ZINC001732956209 1183203244 /nfs/dbraw/zinc/20/32/44/1183203244.db2.gz CUJINPPLQNPUHV-JOVKLMRISA-N 2 0 287.835 1.708 10 0 CDAERP C[C@H](C[NH2+]C/C=C/Cl)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001732960454 1183206172 /nfs/dbraw/zinc/20/61/72/1183206172.db2.gz UKGXRTVOXKUGRZ-ONYUAGEFSA-N 2 0 273.808 1.318 10 0 CDAERP CC(C)CC[NH2+]C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001733182603 1183320831 /nfs/dbraw/zinc/32/08/31/1183320831.db2.gz HTGYLQDKTADREX-ZBFHGGJFSA-N 2 0 295.471 1.859 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H]1C[NH2+]CCC(F)(F)F ZINC001733346982 1183404563 /nfs/dbraw/zinc/40/45/63/1183404563.db2.gz OUCMUFVWYDHWGA-NSHDSACASA-N 2 0 295.349 1.471 10 0 CDAERP CCCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001733351173 1183407239 /nfs/dbraw/zinc/40/72/39/1183407239.db2.gz BFKXUAACZUJGEC-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@@H](C[NH2+]CCCF)C1 ZINC001733556079 1183465673 /nfs/dbraw/zinc/46/56/73/1183465673.db2.gz GBHYPHCOCKGHOC-KBPBESRZSA-N 2 0 287.423 1.372 10 0 CDAERP C[C@H](NC(=O)CC[NH+]1CCCCC1)[C@H](C)[NH2+]CCCF ZINC001734005809 1183611788 /nfs/dbraw/zinc/61/17/88/1183611788.db2.gz VYXDIQOMVUIEFK-KBPBESRZSA-N 2 0 287.423 1.705 10 0 CDAERP CC[NH2+]CCCOC1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001734084718 1183652724 /nfs/dbraw/zinc/65/27/24/1183652724.db2.gz ZPLNGRPYRREOHT-UHFFFAOYSA-N 2 0 299.459 1.334 10 0 CDAERP C[N@H+]1CC=C(C[NH2+]C[C@@H](O)CC2CCCC2)CC1 ZINC000392770540 1187282859 /nfs/dbraw/zinc/28/28/59/1187282859.db2.gz RHTOAPZNUVDACP-HNNXBMFYSA-N 2 0 252.402 1.779 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001691709010 1164428105 /nfs/dbraw/zinc/42/81/05/1164428105.db2.gz MOXIHXDWCMEIOZ-GASCZTMLSA-N 2 0 293.455 1.921 10 0 CDAERP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000926665318 837388355 /nfs/dbraw/zinc/38/83/55/837388355.db2.gz CEIHMOJKLAPBQN-XGUBFFRZSA-N 2 0 254.418 1.977 10 0 CDAERP C[C@H]1[C@H](NC(=O)NCCCC[NH+](C)C2CC2)CC[N@@H+]1C ZINC000922811549 837470140 /nfs/dbraw/zinc/47/01/40/837470140.db2.gz WHUOCQABEOLHIJ-GXTWGEPZSA-N 2 0 282.432 1.253 10 0 CDAERP C[C@@H]([NH2+]CCC[NH3+])c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000817938572 837471931 /nfs/dbraw/zinc/47/19/31/837471931.db2.gz NKVVODZHGYBPCG-SECBINFHSA-N 2 0 292.351 1.682 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1CC[C@H](CC[NH+](C)C)C1 ZINC001644473376 1167320602 /nfs/dbraw/zinc/32/06/02/1167320602.db2.gz VUVMZCWBZRIJLD-KGLIPLIRSA-N 2 0 269.433 1.374 10 0 CDAERP C[N@H+](CCNC(=O)C12CCC[NH+]1CCC2)C1CCCCC1 ZINC000352787057 1167321301 /nfs/dbraw/zinc/32/13/01/1167321301.db2.gz MEVSLCZJMBQCAR-UHFFFAOYSA-N 2 0 293.455 1.996 10 0 CDAERP CC(C)[NH2+]CCC(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712671157 837576810 /nfs/dbraw/zinc/57/68/10/837576810.db2.gz NWPDIVPWGADLHQ-UHFFFAOYSA-N 2 0 255.406 1.317 10 0 CDAERP C[C@@H](CC1CC1)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925852231 835755623 /nfs/dbraw/zinc/75/56/23/835755623.db2.gz HKJZLOIYUPUQAI-AAEUAGOBSA-N 2 0 266.385 1.450 10 0 CDAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000932033612 835795152 /nfs/dbraw/zinc/79/51/52/835795152.db2.gz CSEHYUKUEDCHSX-HRCADAONSA-N 2 0 295.471 1.765 10 0 CDAERP CCN1C[C@@H](CN(C)C[C@H]2CCC[N@H+](C)C2)OC1=O ZINC000846805360 835832687 /nfs/dbraw/zinc/83/26/87/835832687.db2.gz BYNHGCTXVUPPIN-QWHCGFSZSA-N 2 0 269.389 1.101 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]CCc2ccc(CO)cc2)C12CCC2 ZINC000925635801 835836504 /nfs/dbraw/zinc/83/65/04/835836504.db2.gz PDOHXAQIUSPKQY-CABCVRRESA-N 2 0 260.381 1.581 10 0 CDAERP CN(CCC[NH+](C)C)CCNC(=O)/C=C/C(C)(C)C ZINC000855415568 835881519 /nfs/dbraw/zinc/88/15/19/835881519.db2.gz ZOJOSNAKKXSXJL-CMDGGOBGSA-N 2 0 269.433 1.588 10 0 CDAERP O=C1O[C@@H](C[NH2+]C2CCSCC2)CC12CC[NH2+]CC2 ZINC000925858203 835889392 /nfs/dbraw/zinc/88/93/92/835889392.db2.gz XXSXWTFWXMCDGG-GFCCVEGCSA-N 2 0 284.425 1.157 10 0 CDAERP C[C@@H](N[C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000925884046 835893051 /nfs/dbraw/zinc/89/30/51/835893051.db2.gz QPPXHOHGHGMRQW-DZUCGIPZSA-N 2 0 273.424 1.776 10 0 CDAERP C[NH+](C)CC[C@H](N[C@H]1C[C@H]([NH3+])C12CCC2)c1cccnc1 ZINC000925828045 835931869 /nfs/dbraw/zinc/93/18/69/835931869.db2.gz UEOQCHPTIQWLFA-JYJNAYRXSA-N 2 0 288.439 1.934 10 0 CDAERP [NH3+]CCCCCCC(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000843499345 836005914 /nfs/dbraw/zinc/00/59/14/836005914.db2.gz ZZBJPYVCEZIKCN-LSDHHAIUSA-N 2 0 281.444 1.886 10 0 CDAERP [NH3+][C@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc(F)cc2)C12CCC2 ZINC000925651420 836046065 /nfs/dbraw/zinc/04/60/65/836046065.db2.gz CHZSNQOTYCBTMT-RDBSUJKOSA-N 2 0 264.344 1.719 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H]2CC[C@H](C(N)=O)C2)C1 ZINC000925688573 836146981 /nfs/dbraw/zinc/14/69/81/836146981.db2.gz FALGDPPYGATAQN-IRCOFANPSA-N 2 0 253.390 1.136 10 0 CDAERP CCO[C@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)CN(C)C ZINC000926965936 836148340 /nfs/dbraw/zinc/14/83/40/836148340.db2.gz UDOGVGVTMQJRNH-UKRRQHHQSA-N 2 0 271.449 1.273 10 0 CDAERP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000923313706 836168919 /nfs/dbraw/zinc/16/89/19/836168919.db2.gz WZKIANSRCIRPDL-MXAVVETBSA-N 2 0 280.799 1.980 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)N(C)OC)C[C@H]1C ZINC000799125076 836181470 /nfs/dbraw/zinc/18/14/70/836181470.db2.gz FBEMPYTWYYDBDD-CHWSQXEVSA-N 2 0 271.405 1.201 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@H]2CN3C[C@@H]2CCC3)CC1 ZINC000924955874 836198610 /nfs/dbraw/zinc/19/86/10/836198610.db2.gz RQELPLPMLPDBCP-HOTGVXAUSA-N 2 0 265.445 1.792 10 0 CDAERP O[C@H](CN1CCC[C@H](c2ccccn2)C1)C[NH+]1CCCC1 ZINC000852087635 836198892 /nfs/dbraw/zinc/19/88/92/836198892.db2.gz OREDNMAKZNDSNR-HOTGVXAUSA-N 2 0 289.423 1.718 10 0 CDAERP O=C(CCC12CC(C1)C[NH2+]2)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000870852671 836248923 /nfs/dbraw/zinc/24/89/23/836248923.db2.gz KADQYYFPKDVQEW-DGNOSDGRSA-N 2 0 291.439 1.509 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000925829025 836249956 /nfs/dbraw/zinc/24/99/56/836249956.db2.gz LWNTXMXOTRQDQW-VLEAKVRGSA-N 2 0 266.307 1.956 10 0 CDAERP C[NH+](C)CCC[C@H]1C[N@H+](CCC2OCCCO2)CCO1 ZINC000852761653 836286464 /nfs/dbraw/zinc/28/64/64/836286464.db2.gz YTMXXARDEFOVDC-AWEZNQCLSA-N 2 0 286.416 1.182 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000926767382 836317402 /nfs/dbraw/zinc/31/74/02/836317402.db2.gz KVZXRVNWRGVPJS-UZSCSNNJSA-N 2 0 250.386 1.484 10 0 CDAERP C[C@H]([NH2+]C1CC1)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712607482 836330326 /nfs/dbraw/zinc/33/03/26/836330326.db2.gz ITOOTOBOKLWFTA-NSHDSACASA-N 2 0 253.390 1.070 10 0 CDAERP Cc1cccc([C@H](O)C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925606793 836357900 /nfs/dbraw/zinc/35/79/00/836357900.db2.gz LLVPXURCJPSUOM-ILXRZTDVSA-N 2 0 260.381 1.888 10 0 CDAERP C[C@@H]1CCCN(CCCCS(C)(=O)=O)[C@@H]1CC[NH3+] ZINC000706504473 836381180 /nfs/dbraw/zinc/38/11/80/836381180.db2.gz KQELZAVNUZYZRE-CHWSQXEVSA-N 2 0 276.446 1.261 10 0 CDAERP C[NH2+]CCC1CCN(C(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852873735 836416494 /nfs/dbraw/zinc/41/64/94/836416494.db2.gz BKDAMBUXORCTQA-UHFFFAOYSA-N 2 0 265.401 1.144 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C[C@H]1C ZINC000872285691 836421772 /nfs/dbraw/zinc/42/17/72/836421772.db2.gz CPQDODBCYJILPS-SSZWKKLZSA-N 2 0 279.428 1.445 10 0 CDAERP C[C@H](C(=O)N1CCC([NH+](C)C)CC1)[C@H]([NH3+])c1ccccc1 ZINC000130174282 836432367 /nfs/dbraw/zinc/43/23/67/836432367.db2.gz JQTNTGVFRSAICA-BBRMVZONSA-N 2 0 289.423 1.875 10 0 CDAERP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CCO[C@H]2CCOC2)C1 ZINC000923391871 836432607 /nfs/dbraw/zinc/43/26/07/836432607.db2.gz GAERAKXHJAEFHA-QXSJWSMHSA-N 2 0 298.427 1.153 10 0 CDAERP Cc1ccccc1C[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923298130 836486433 /nfs/dbraw/zinc/48/64/33/836486433.db2.gz SCVDCZPKUUYDQZ-OAHLLOKOSA-N 2 0 260.381 1.805 10 0 CDAERP CCN(CC)C(=O)C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866707023 836500825 /nfs/dbraw/zinc/50/08/25/836500825.db2.gz LDTQACVBRWBMAI-HNNXBMFYSA-N 2 0 269.433 1.552 10 0 CDAERP C[N@H+](Cc1nc2c(s1)C[NH2+]CC2)C1CCC([NH3+])CC1 ZINC000853246683 836509975 /nfs/dbraw/zinc/50/99/75/836509975.db2.gz PPSHSAFTMNNDHE-UHFFFAOYSA-N 3 0 280.441 1.491 10 0 CDAERP CC(=O)NCCCCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000929283413 836564780 /nfs/dbraw/zinc/56/47/80/836564780.db2.gz ROTGARYMVWNWPJ-UHFFFAOYSA-N 2 0 269.433 1.566 10 0 CDAERP C[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)C[C@H]1CC[NH3+] ZINC000923432202 836652839 /nfs/dbraw/zinc/65/28/39/836652839.db2.gz XOVJJXKGQLLMKJ-FVQBIDKESA-N 2 0 262.397 1.507 10 0 CDAERP C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2F)CC[C@H]1C[NH3+] ZINC000923492346 836859344 /nfs/dbraw/zinc/85/93/44/836859344.db2.gz NBVNOOOENXARTI-HZSPNIEDSA-N 2 0 296.386 1.482 10 0 CDAERP C(C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)O[C@H]1CCOC1 ZINC000923361518 836884889 /nfs/dbraw/zinc/88/48/89/836884889.db2.gz FUVHNFWUGQWPRL-ILXRZTDVSA-N 2 0 268.401 1.113 10 0 CDAERP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1CCC[C@@H](CO)C1)[NH2+]2 ZINC000709287907 836951925 /nfs/dbraw/zinc/95/19/25/836951925.db2.gz MGAHUZJFJWIZPH-YRKSKIDTSA-N 2 0 252.402 1.656 10 0 CDAERP CC(C)(CN[C@H]1CC[NH2+]C12CCCC2)N1CCOCC1 ZINC000925504233 836971460 /nfs/dbraw/zinc/97/14/60/836971460.db2.gz NDUYWMRXUYKWNM-AWEZNQCLSA-N 2 0 281.444 1.362 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H](C)C[C@H](O)c1ccccc1 ZINC000817906249 836975863 /nfs/dbraw/zinc/97/58/63/836975863.db2.gz ZBGOXGIPDJWZKM-KBMXLJTQSA-N 2 0 280.412 1.842 10 0 CDAERP c1[nH+]cn2ccc(-c3noc(CC[C@@H]4CC[NH2+]C4)n3)cc12 ZINC000843227321 836995394 /nfs/dbraw/zinc/99/53/94/836995394.db2.gz YMXWJPKBDAKXMI-LLVKDONJSA-N 2 0 283.335 1.926 10 0 CDAERP CCO[C@@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)CN(C)C ZINC000926965937 837000890 /nfs/dbraw/zinc/00/08/90/837000890.db2.gz UDOGVGVTMQJRNH-ZFWWWQNUSA-N 3 0 271.449 1.273 10 0 CDAERP [NH3+]CCCCCCC[NH+]1CCN(c2cccnn2)CC1 ZINC000844222141 837003473 /nfs/dbraw/zinc/00/34/73/837003473.db2.gz WZTIZHPAKCZIBO-UHFFFAOYSA-N 2 0 277.416 1.508 10 0 CDAERP O[C@@H](C[NH2+]CC[C@H]1CCC2(CCC2)O1)C[NH+]1CCCC1 ZINC000717115414 837035152 /nfs/dbraw/zinc/03/51/52/837035152.db2.gz CENVSCTXMBFEPI-LSDHHAIUSA-N 2 0 282.428 1.525 10 0 CDAERP C[C@@H]1[NH2+]CCC[C@H]1Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000925597355 837077383 /nfs/dbraw/zinc/07/73/83/837077383.db2.gz VKYYQTFMDYHYDY-SMDDNHRTSA-N 2 0 257.341 1.820 10 0 CDAERP C[C@H]1[NH2+]CCC[C@@H]1Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000925596925 837183479 /nfs/dbraw/zinc/18/34/79/837183479.db2.gz VKYYQTFMDYHYDY-RISCZKNCSA-N 2 0 257.341 1.820 10 0 CDAERP C[NH+](C)C1(CN[C@H]2C[C@H]([NH3+])CC(C)(C)C2)CCC1 ZINC000925646159 837281060 /nfs/dbraw/zinc/28/10/60/837281060.db2.gz VTOFZMQJFVKQCD-STQMWFEESA-N 2 0 253.434 1.966 10 0 CDAERP [NH3+]CCC[N@H+](C[C@H](O)c1ccc(F)cc1)C1CC1 ZINC000841008669 837288442 /nfs/dbraw/zinc/28/84/42/837288442.db2.gz CWCXQOYIDBRFJK-AWEZNQCLSA-N 2 0 252.333 1.672 10 0 CDAERP C[C@H]1[C@H](C)OC[C@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000924711133 837333229 /nfs/dbraw/zinc/33/32/29/837333229.db2.gz FSRLJWAMWBNZBP-SLEUVZQESA-N 2 0 252.402 1.874 10 0 CDAERP CC(C)[NH2+]Cc1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000854154845 837366279 /nfs/dbraw/zinc/36/62/79/837366279.db2.gz LJKNNGZSWZYZPU-UHFFFAOYSA-N 2 0 257.297 1.882 10 0 CDAERP CO[C@H]1C[C@@H](C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)C1 ZINC000872145838 837891480 /nfs/dbraw/zinc/89/14/80/837891480.db2.gz WSFOFZYCOZLRRP-ARLBYUKCSA-N 2 0 282.428 1.630 10 0 CDAERP COc1ccccc1C[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923297962 837921697 /nfs/dbraw/zinc/92/16/97/837921697.db2.gz GQPXOOKICUEYRP-CQSZACIVSA-N 2 0 276.380 1.506 10 0 CDAERP CC(=O)N1CCC(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925499077 837993183 /nfs/dbraw/zinc/99/31/83/837993183.db2.gz MLRDZUADFSFEBP-CABCVRRESA-N 2 0 281.444 1.741 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868185275 838015935 /nfs/dbraw/zinc/01/59/35/838015935.db2.gz ROQVAASEZLIUQE-LSDHHAIUSA-N 2 0 290.411 1.963 10 0 CDAERP CN1CC[N@H+](CC[C@H]2CC[NH2+]C2)Cc2cccnc21 ZINC000866727717 838068631 /nfs/dbraw/zinc/06/86/31/838068631.db2.gz RJBUXPUBLBAGME-CYBMUJFWSA-N 2 0 260.385 1.333 10 0 CDAERP CN(C)[C@H](CC[NH2+][C@H]1CCCC[C@H]1C[NH3+])C(F)(F)F ZINC000925838517 838154268 /nfs/dbraw/zinc/15/42/68/838154268.db2.gz YGKUIRBCFJWOMM-SDDRHHMPSA-N 2 0 281.366 1.976 10 0 CDAERP CC[C@@H](C[NH+]1CCCC1)NC(=O)C=C1CC[NH2+]CC1 ZINC000852869187 838206883 /nfs/dbraw/zinc/20/68/83/838206883.db2.gz YOQSTFUBAANGHX-AWEZNQCLSA-N 2 0 265.401 1.287 10 0 CDAERP Cc1cc([C@@H](C)[NH2+]CCN2CCC([NH3+])CC2)oc1C ZINC000925817888 838239682 /nfs/dbraw/zinc/23/96/82/838239682.db2.gz XBLGISPYJFHYSJ-GFCCVEGCSA-N 2 0 265.401 1.970 10 0 CDAERP C[C@@H]1CN(C(C)(C)C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)C[C@@H](C)O1 ZINC000925513531 838802827 /nfs/dbraw/zinc/80/28/27/838802827.db2.gz HPLDLRZTHMHZLM-APIJFGDWSA-N 2 0 295.471 1.734 10 0 CDAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccnnc2)CC1 ZINC000924952026 838825181 /nfs/dbraw/zinc/82/51/81/838825181.db2.gz MRQWLDCCWKVPRQ-CABCVRRESA-N 2 0 291.443 1.401 10 0 CDAERP CC(C)CNC(=O)C1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000923301818 838860877 /nfs/dbraw/zinc/86/08/77/838860877.db2.gz YEIPKZHIVPZJJL-UHFFFAOYSA-N 2 0 281.444 1.613 10 0 CDAERP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H]2CC[NH+](C)[C@H]2C)C[C@@H]1C ZINC000925332421 839020644 /nfs/dbraw/zinc/02/06/44/839020644.db2.gz CEGWBULITNCGSV-XDQVBPFNSA-N 2 0 282.432 1.203 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000722391450 839114207 /nfs/dbraw/zinc/11/42/07/839114207.db2.gz KPTGDPFGIRTYHX-XWLWVQCSSA-N 2 0 266.307 1.813 10 0 CDAERP C[C@@H]([NH2+]C1CC1)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000852906015 839130710 /nfs/dbraw/zinc/13/07/10/839130710.db2.gz MBAUAVBVASFRLN-DAXOMENPSA-N 2 0 287.407 1.389 10 0 CDAERP CSC[C@@H](O)C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923509881 839133025 /nfs/dbraw/zinc/13/30/25/839133025.db2.gz SWZJFJVXRHSPFI-ZFWWWQNUSA-N 2 0 286.485 1.812 10 0 CDAERP Cc1nnc(CC[NH+]2CCC(C[NH+](C)C)CC2)o1 ZINC000929281833 839238564 /nfs/dbraw/zinc/23/85/64/839238564.db2.gz DZNFFDWNRWGEAY-UHFFFAOYSA-N 2 0 252.362 1.194 10 0 CDAERP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CC[NH+](C)[C@@H]1C ZINC000925348499 839342714 /nfs/dbraw/zinc/34/27/14/839342714.db2.gz PUZXBXFEQLUBCI-RBSFLKMASA-N 2 0 296.459 1.451 10 0 CDAERP C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)CCCCCC[NH3+] ZINC000720902606 839343954 /nfs/dbraw/zinc/34/39/54/839343954.db2.gz UOKKDUBTQWVZFA-KGLIPLIRSA-N 2 0 267.417 1.591 10 0 CDAERP C[NH2+]Cc1cccc(NC(=O)C=C2CC[NH2+]CC2)c1 ZINC000852792905 839391858 /nfs/dbraw/zinc/39/18/58/839391858.db2.gz HZOZVKHVNZOPPD-UHFFFAOYSA-N 2 0 259.353 1.654 10 0 CDAERP Cc1cn(C(C)(C)C(=O)N2CC[N@@H+](C)C(C)(C)CC2)cn1 ZINC000864063721 839542662 /nfs/dbraw/zinc/54/26/62/839542662.db2.gz UUXRNJBUXAPWTI-UHFFFAOYSA-N 2 0 292.427 1.869 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1COC2(CCCCC2)O1 ZINC000817919058 839610813 /nfs/dbraw/zinc/61/08/13/839610813.db2.gz PAFNZWSBFZNYPS-KGLIPLIRSA-N 2 0 286.416 1.406 10 0 CDAERP [NH3+]C[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)C[C@H]1C(F)(F)F ZINC000872149477 839663481 /nfs/dbraw/zinc/66/34/81/839663481.db2.gz OVFZWEIVSRCJRZ-HBNTYKKESA-N 3 0 265.323 1.055 10 0 CDAERP [NH3+]CCCCCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000846220403 839671438 /nfs/dbraw/zinc/67/14/38/839671438.db2.gz ODFWCDJKTZGGKA-LSDHHAIUSA-N 3 0 253.434 1.970 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CC2(N3CCOCC3)CC2)C1 ZINC000925653321 839746093 /nfs/dbraw/zinc/74/60/93/839746093.db2.gz XDYQOBXMGNQIFF-UONOGXRCSA-N 2 0 281.444 1.347 10 0 CDAERP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)C1CCSCC1 ZINC000925813168 839803834 /nfs/dbraw/zinc/80/38/34/839803834.db2.gz RUKDPWAGCPVVRE-GFCCVEGCSA-N 2 0 271.474 1.531 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCN2CCSCC2)C1 ZINC000925481270 839814386 /nfs/dbraw/zinc/81/43/86/839814386.db2.gz IWDDOQCKHHUJQA-CHWSQXEVSA-N 2 0 271.474 1.531 10 0 CDAERP C[N@@H+]1CC[C@H](NCC2(C)OCCCO2)CC1(C)C ZINC000858160962 839828526 /nfs/dbraw/zinc/82/85/26/839828526.db2.gz WLIYVPWKEPQWQD-LBPRGKRZSA-N 2 0 256.390 1.602 10 0 CDAERP O[C@H](C[NH2+]CC[C@@H]1CC[C@@H]2C[C@@H]21)C[NH+]1CCCC1 ZINC000717142014 839933119 /nfs/dbraw/zinc/93/31/19/839933119.db2.gz YOVPSQYZZPRCSL-GBJTYRQASA-N 2 0 252.402 1.469 10 0 CDAERP C[NH+](C)C[C@@H]1CN(C(=O)OCC2CC2)C[C@H]1C[NH+](C)C ZINC000867589296 839936889 /nfs/dbraw/zinc/93/68/89/839936889.db2.gz FULKALSYBWJNES-ZIAGYGMSSA-N 2 0 283.416 1.204 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccoc1 ZINC000850353858 839982654 /nfs/dbraw/zinc/98/26/54/839982654.db2.gz OEDFIGSQZRAHEM-ZDUSSCGKSA-N 2 0 253.390 1.641 10 0 CDAERP c1ccc(-c2ncc(CN3CC[NH2+]CC[NH2+]CC3)cn2)cc1 ZINC000923459421 840012009 /nfs/dbraw/zinc/01/20/09/840012009.db2.gz AJOOKIBDNSSWNS-UHFFFAOYSA-N 2 0 297.406 1.138 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1c2ccccc2[C@H]([NH3+])C1(C)C ZINC000867988985 840037181 /nfs/dbraw/zinc/03/71/81/840037181.db2.gz YUBXZLIQXQDTNV-WDMOLILDSA-N 2 0 273.380 1.810 10 0 CDAERP C[C@H]1OCC[C@@H]1[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925887046 840044065 /nfs/dbraw/zinc/04/40/65/840044065.db2.gz QAAWOBOBUNOSDH-OJLVUWQFSA-N 2 0 260.381 1.813 10 0 CDAERP COC(=O)/C(C)=C\C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000214628295 840079657 /nfs/dbraw/zinc/07/96/57/840079657.db2.gz CKORMLNSJFSERH-XGICHPGQSA-N 2 0 254.374 1.379 10 0 CDAERP Cc1ncc([C@@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c(C)n1 ZINC000925797571 840081295 /nfs/dbraw/zinc/08/12/95/840081295.db2.gz IHJOGCCZAWNUGH-JTNHKYCSSA-N 2 0 262.401 1.990 10 0 CDAERP CC(C)(C)N1C[C@H]([NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1=O ZINC000925575267 840109817 /nfs/dbraw/zinc/10/98/17/840109817.db2.gz YZIMATOITHBCIG-FRRDWIJNSA-N 2 0 281.444 1.881 10 0 CDAERP C[C@H](CC[NH+](C)C)[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724097465 840159980 /nfs/dbraw/zinc/15/99/80/840159980.db2.gz XHEMFHRFEZSIFB-BDAKNGLRSA-N 2 0 292.292 1.865 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[C@H](C(F)(F)F)O2)C1 ZINC000722391172 840195049 /nfs/dbraw/zinc/19/50/49/840195049.db2.gz FTDWNLIIWHQIRM-VPOLOUISSA-N 2 0 266.307 1.956 10 0 CDAERP CS(=O)(=O)CCCCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925641092 840318755 /nfs/dbraw/zinc/31/87/55/840318755.db2.gz AGAYVCAOLNDHFR-GFCCVEGCSA-N 2 0 274.430 1.076 10 0 CDAERP CCOCCOCC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925873998 840478983 /nfs/dbraw/zinc/47/89/83/840478983.db2.gz FWEZHCPKSSUFTR-HZSPNIEDSA-N 2 0 270.417 1.406 10 0 CDAERP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CC(CC(N)=O)C1 ZINC000718421340 840480434 /nfs/dbraw/zinc/48/04/34/840480434.db2.gz OLARGMXXRLSCGB-RJZJGCCBSA-N 2 0 267.417 1.541 10 0 CDAERP C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC[NH2+]CC1 ZINC000923279395 840562649 /nfs/dbraw/zinc/56/26/49/840562649.db2.gz NJLVMFGCDJVZSB-AGUYFDCRSA-N 3 0 251.418 1.591 10 0 CDAERP CCN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866703833 840758771 /nfs/dbraw/zinc/75/87/71/840758771.db2.gz LBRNZKVPGDCIOT-CZUORRHYSA-N 2 0 283.460 1.940 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000713003363 840773018 /nfs/dbraw/zinc/77/30/18/840773018.db2.gz KTSKQSRFXMPXDI-GSPSYOTPSA-N 2 0 281.444 1.737 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)NCC1CC[NH+](C2CC2)CC1 ZINC000852889230 840782409 /nfs/dbraw/zinc/78/24/09/840782409.db2.gz GIADJSAAMUBIBN-UHFFFAOYSA-N 2 0 277.412 1.287 10 0 CDAERP C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+]3C(C)(C)C)C[C@@]2(C)C1 ZINC000864077758 840805733 /nfs/dbraw/zinc/80/57/33/840805733.db2.gz QLDAYCQWSJWRKI-RRQGHBQHSA-N 2 0 293.455 1.659 10 0 CDAERP CC(C)OCC[C@H](O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000923413079 840813420 /nfs/dbraw/zinc/81/34/20/840813420.db2.gz BFKZPULSVQJCLC-SOUVJXGZSA-N 2 0 270.417 1.236 10 0 CDAERP [NH3+]CCCCCCC[N@@H+]1CCNC(=O)CC12CCC2 ZINC000872157067 840816029 /nfs/dbraw/zinc/81/60/29/840816029.db2.gz HWOFGUGOGPGYFH-UHFFFAOYSA-N 2 0 267.417 1.640 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000817917217 840829639 /nfs/dbraw/zinc/82/96/39/840829639.db2.gz OOIZRFLIDQBWLV-LOWDOPEQSA-N 2 0 290.498 1.710 10 0 CDAERP CCOC(=O)CC(C)(C)C[NH2+]CC1CC[NH+](C)CC1 ZINC000838936704 840833361 /nfs/dbraw/zinc/83/33/61/840833361.db2.gz GAZJYIAACSBKJO-UHFFFAOYSA-N 2 0 270.417 1.897 10 0 CDAERP COCC[N@H+](C)CCC[NH2+][C@@H](C1CC1)C1CCOCC1 ZINC000924653283 840835231 /nfs/dbraw/zinc/83/52/31/840835231.db2.gz IQLPIZGUPODXGG-INIZCTEOSA-N 2 0 284.444 1.750 10 0 CDAERP CC1(C)[C@H](NCCC[NH+]2CCC(O)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925506050 840874053 /nfs/dbraw/zinc/87/40/53/840874053.db2.gz VXERKRFGVDXSSQ-OWCLPIDISA-N 2 0 295.471 1.199 10 0 CDAERP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)CO ZINC000925437120 840884379 /nfs/dbraw/zinc/88/43/79/840884379.db2.gz KEDNAHVZRJWWAI-QLFBSQMISA-N 2 0 286.460 1.872 10 0 CDAERP C[C@]1(C[NH+]2CCC(C3OCCO3)CC2)CC[NH2+]C1 ZINC000261881755 840887368 /nfs/dbraw/zinc/88/73/68/840887368.db2.gz RAGHXOCNSJSPPW-AWEZNQCLSA-N 2 0 254.374 1.071 10 0 CDAERP C[C@]1(CN2CC[N@@H+]3CCCC[C@@H]3C2)CCC[NH2+]C1 ZINC000094440653 840892157 /nfs/dbraw/zinc/89/21/57/840892157.db2.gz GBHHVFYMGGHMOU-CABCVRRESA-N 2 0 251.418 1.546 10 0 CDAERP COC1(OC)CC[C@@H]1[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000926574061 840895392 /nfs/dbraw/zinc/89/53/92/840895392.db2.gz UFCQXVGLEOZSPM-STQMWFEESA-N 2 0 256.390 1.459 10 0 CDAERP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866708313 840909432 /nfs/dbraw/zinc/90/94/32/840909432.db2.gz ZJNPEWISWKRWPE-CJNGLKHVSA-N 2 0 283.460 1.939 10 0 CDAERP CC[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)[C@@H]1CCCOC1 ZINC000723969473 840917691 /nfs/dbraw/zinc/91/76/91/840917691.db2.gz QTJHTHIQHTVDCJ-HZPDHXFCSA-N 2 0 283.460 1.419 10 0 CDAERP C(C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)O[C@@H]1CCOC1 ZINC000923365781 840964532 /nfs/dbraw/zinc/96/45/32/840964532.db2.gz YWJPPWLDOXOPBR-RRFJBIMHSA-N 2 0 268.401 1.256 10 0 CDAERP O[C@@H](C[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12)C[NH+]1CCCC1 ZINC000712416996 841051956 /nfs/dbraw/zinc/05/19/56/841051956.db2.gz XEKQRGPORQSAMJ-ZQDZILKHSA-N 2 0 252.402 1.611 10 0 CDAERP C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000831970540 841055624 /nfs/dbraw/zinc/05/56/24/841055624.db2.gz IHZARQOZGSKWHI-IUODEOHRSA-N 2 0 293.386 1.469 10 0 CDAERP CC1(C)[C@H]([NH2+]CCN2CCC([NH3+])CC2)[C@H]2CCCO[C@H]21 ZINC000925812382 841076562 /nfs/dbraw/zinc/07/65/62/841076562.db2.gz PIQNSUSPCKJLCB-RBSFLKMASA-N 2 0 281.444 1.203 10 0 CDAERP C[C@H]1C[N@H+](CC(=O)Nc2cccc(F)c2)CC[C@H]1C[NH3+] ZINC000251888230 841120802 /nfs/dbraw/zinc/12/08/02/841120802.db2.gz VIJHERRNSCYOCN-RYUDHWBXSA-N 2 0 279.359 1.681 10 0 CDAERP CN1C[C@H](CC[NH2+][C@H]2CCCCC[C@H]2[NH3+])CC1=O ZINC000925807822 841161227 /nfs/dbraw/zinc/16/12/27/841161227.db2.gz DDYWMAOQLBEYCL-UPJWGTAASA-N 2 0 253.390 1.104 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[C@H]([NH3+])CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000870950706 841172575 /nfs/dbraw/zinc/17/25/75/841172575.db2.gz MXTOUSHCGUVJHN-UXXRCYHCSA-N 2 0 297.443 1.118 10 0 CDAERP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852892050 841206986 /nfs/dbraw/zinc/20/69/86/841206986.db2.gz FVQMHRQDEXGRMJ-MRXNPFEDSA-N 2 0 291.439 1.533 10 0 CDAERP CCOC[C@H](O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000381284871 841246880 /nfs/dbraw/zinc/24/68/80/841246880.db2.gz HYEHAWQLURRACK-OAGGEKHMSA-N 2 0 278.396 1.058 10 0 CDAERP O=C1OCC[C@H]1CCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925730086 841300120 /nfs/dbraw/zinc/30/01/20/841300120.db2.gz MZMXQUPVTUUXHJ-CHWSQXEVSA-N 2 0 266.385 1.594 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000870989564 841309084 /nfs/dbraw/zinc/30/90/84/841309084.db2.gz KWYCMABLUQFPGW-WOSRLPQWSA-N 2 0 281.444 1.727 10 0 CDAERP C[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)[C@H]1CCOC1 ZINC000925846748 841352433 /nfs/dbraw/zinc/35/24/33/841352433.db2.gz TUYHXTYYCAZQHR-GJZGRUSLSA-N 2 0 269.433 1.077 10 0 CDAERP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)CC[C@H]21 ZINC000713280362 841368602 /nfs/dbraw/zinc/36/86/02/841368602.db2.gz ZTYCTOBLCBTCJW-QKDZRIPBSA-N 2 0 277.412 1.057 10 0 CDAERP O=C1N[C@@H](C2CC[NH+](CCC3CC[NH2+]CC3)CC2)CO1 ZINC000923527158 841398793 /nfs/dbraw/zinc/39/87/93/841398793.db2.gz ZBJBJXZWGQIWKG-CQSZACIVSA-N 2 0 281.400 1.197 10 0 CDAERP CCC[C@H](C(=O)OCC)[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923499058 841534344 /nfs/dbraw/zinc/53/43/44/841534344.db2.gz QPFFDISCGBEUSD-YNEHKIRRSA-N 2 0 256.390 1.635 10 0 CDAERP CC(C)(O)C[C@H](O)C[NH2+]CCCCC[NH+]1CCCC1 ZINC000872208748 841626303 /nfs/dbraw/zinc/62/63/03/841626303.db2.gz CKUHPJZKOUTVKY-AWEZNQCLSA-N 2 0 272.433 1.364 10 0 CDAERP Cn1cnc(CCC[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)n1 ZINC000925704669 841627057 /nfs/dbraw/zinc/62/70/57/841627057.db2.gz IQWRZGAQLRANRV-NWDGAFQWSA-N 2 0 265.405 1.243 10 0 CDAERP C[C@H]1C[C@@H](NC(=O)[C@@]23CC[NH+](C2)CCC3)CC[N@@H+]1C ZINC000896667615 841687955 /nfs/dbraw/zinc/68/79/55/841687955.db2.gz JAULUIUJYFPDCY-YDHLFZDLSA-N 2 0 265.401 1.071 10 0 CDAERP C[C@@H](CC(N)=O)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927037273 841708722 /nfs/dbraw/zinc/70/87/22/841708722.db2.gz IXGSSUKLGIORJR-DCBWTQNWSA-N 2 0 253.390 1.247 10 0 CDAERP C[C@H]([NH2+]C[C@H](O)[C@H]1CCCO1)c1cccc(C[NH+](C)C)c1 ZINC000926748273 841778022 /nfs/dbraw/zinc/77/80/22/841778022.db2.gz DXWLMUVJYJKPRO-RRQGHBQHSA-N 2 0 292.423 1.939 10 0 CDAERP CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923510662 841785480 /nfs/dbraw/zinc/78/54/80/841785480.db2.gz WHMCMAJPHHSBPM-QLFBSQMISA-N 2 0 281.444 1.694 10 0 CDAERP CC[C@H](C[C@](C)(O)CC)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000924966326 841851445 /nfs/dbraw/zinc/85/14/45/841851445.db2.gz SAPBZRSIVFPSAP-BZUAXINKSA-N 2 0 285.476 1.542 10 0 CDAERP COC(=O)CCCN1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705688455 841855849 /nfs/dbraw/zinc/85/58/49/841855849.db2.gz OZXCHNPJLRVCOL-KBPBESRZSA-N 2 0 254.374 1.213 10 0 CDAERP CC1(C)[C@H]([NH2+][C@H](CO)Cc2ccccc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925643126 841946359 /nfs/dbraw/zinc/94/63/59/841946359.db2.gz CSQZMPASODBIEA-VVLHAWIVSA-N 2 0 288.435 1.956 10 0 CDAERP CCO[C@@H](CNCc1c[nH+]ccc1N(C)C)C[NH+](C)C ZINC000922757848 841961634 /nfs/dbraw/zinc/96/16/34/841961634.db2.gz MHPMSMLFRCYDPI-AWEZNQCLSA-N 2 0 280.416 1.204 10 0 CDAERP [NH3+]CCCCCC[N@@H+]1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000863558313 842066681 /nfs/dbraw/zinc/06/66/81/842066681.db2.gz YZYGCJSAMICYKS-CYBMUJFWSA-N 2 0 264.373 1.838 10 0 CDAERP CCO[C@@H](C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1)C1CC1 ZINC000931441963 842091730 /nfs/dbraw/zinc/09/17/30/842091730.db2.gz SLGNZFDEDUPKJV-ZNMIVQPWSA-N 2 0 252.402 1.685 10 0 CDAERP C[C@H](C[NH2+]Cc1cnc(Cl)n1C)CN1CC[NH+](C)CC1 ZINC000848533307 842098174 /nfs/dbraw/zinc/09/81/74/842098174.db2.gz IVQLJIQOSMGKTN-GFCCVEGCSA-N 2 0 299.850 1.047 10 0 CDAERP C[C@H](CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C1CC1 ZINC000870023129 842100168 /nfs/dbraw/zinc/10/01/68/842100168.db2.gz MPZPFLSXNOYWDS-FVQBIDKESA-N 2 0 295.471 1.620 10 0 CDAERP CCOC(=O)N1CC[C@@H]([NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000925644123 842193426 /nfs/dbraw/zinc/19/34/26/842193426.db2.gz YBTJHXJAPXCKHV-MQYQWHSLSA-N 2 0 295.427 1.583 10 0 CDAERP CCOC(=O)CCCCC[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703619463 842369121 /nfs/dbraw/zinc/36/91/21/842369121.db2.gz MPDVNWNKCZJDSV-DZGCQCFKSA-N 2 0 268.401 1.651 10 0 CDAERP O=C1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CN1CC1CC1 ZINC000925771788 842525071 /nfs/dbraw/zinc/52/50/71/842525071.db2.gz OLBXRDQALABWPA-CAOSSQGBSA-N 2 0 291.439 1.508 10 0 CDAERP Cc1nccn1CCC[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723900842 842599521 /nfs/dbraw/zinc/59/95/21/842599521.db2.gz COFVJLHWBHMLHB-TZMCWYRMSA-N 2 0 250.390 1.498 10 0 CDAERP CCCc1ncc(CNC(=[NH2+])NC[C@H]2CCC[N@@H+]2CC)o1 ZINC000849038067 842750273 /nfs/dbraw/zinc/75/02/73/842750273.db2.gz HRHZPAPDFXULMP-GFCCVEGCSA-N 2 0 293.415 1.725 10 0 CDAERP [NH3+]C[C@@H](NC(=O)CCC12CC(C1)C[NH2+]2)C1CCCC1 ZINC000870945868 842761748 /nfs/dbraw/zinc/76/17/48/842761748.db2.gz OQJXXCLABNNGOB-GLWUULTISA-N 2 0 265.401 1.152 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccnc(-c2ccccn2)n1 ZINC000925762076 842793869 /nfs/dbraw/zinc/79/38/69/842793869.db2.gz GGBQQTLZMVYOSK-NWDGAFQWSA-N 2 0 271.368 1.754 10 0 CDAERP CC[NH+]1CCC(C[NH2+][C@H]2CN3C[C@@H]2CCC3)CC1 ZINC000924953517 842871568 /nfs/dbraw/zinc/87/15/68/842871568.db2.gz CRIUJEVUSQJRJM-GJZGRUSLSA-N 2 0 251.418 1.402 10 0 CDAERP C[C@]1(C[NH2+]C[C@H]2CN3CCC[C@@H]3CO2)CCCS1 ZINC000385835115 842879244 /nfs/dbraw/zinc/87/92/44/842879244.db2.gz RGGFZROWXYVEJF-HZSPNIEDSA-N 2 0 270.442 1.725 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000713012491 842885619 /nfs/dbraw/zinc/88/56/19/842885619.db2.gz BTVQPLBVXRBOED-AAEUAGOBSA-N 2 0 269.433 1.595 10 0 CDAERP [NH3+]C1CCC([NH2+]C[C@@H]2CC[C@@H](C(F)(F)F)O2)CC1 ZINC000722392185 842895654 /nfs/dbraw/zinc/89/56/54/842895654.db2.gz RFDXCRQVNKDDDI-TVUZUIDESA-N 2 0 266.307 1.956 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1CCC2(CCC2)CO1 ZINC000716610450 842896714 /nfs/dbraw/zinc/89/67/14/842896714.db2.gz WOYZXHRBEXHBCW-ZIAGYGMSSA-N 2 0 270.417 1.679 10 0 CDAERP C[C@H]1Cc2ccccc2[C@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925814946 842942677 /nfs/dbraw/zinc/94/26/77/842942677.db2.gz NOIOCYGURHFWLF-GUYCJALGSA-N 2 0 273.424 1.933 10 0 CDAERP C[C@@H](O)CCC[NH2+][C@H](C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001571391246 1167594016 /nfs/dbraw/zinc/59/40/16/1167594016.db2.gz XYGLMRAHAWMUIH-ZIAGYGMSSA-N 2 0 299.459 1.068 10 0 CDAERP CC[N@H+](CCCNC(=O)C[NH+]1CC[C@H](C)C1)CC1CCC1 ZINC001566564454 1168336653 /nfs/dbraw/zinc/33/66/53/1168336653.db2.gz BSLOIBGXQHIWSA-HNNXBMFYSA-N 2 0 295.471 1.957 10 0 CDAERP CC/C=C/CC[NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001566803076 1168427941 /nfs/dbraw/zinc/42/79/41/1168427941.db2.gz NOLRUCPEOWFMSR-GUUMZZRISA-N 2 0 267.417 1.531 10 0 CDAERP C[NH+]1CCC(CC(=O)NCC2([NH2+]CCCF)CCC2)CC1 ZINC001280521848 912656639 /nfs/dbraw/zinc/65/66/39/912656639.db2.gz CQJCLPSMYJHZKB-UHFFFAOYSA-N 2 0 299.434 1.706 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1C[C@@H](C)CC ZINC001483695569 912873598 /nfs/dbraw/zinc/87/35/98/912873598.db2.gz IPOVMIKQHQUZKH-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)OCCC[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001567288744 1168660453 /nfs/dbraw/zinc/66/04/53/1168660453.db2.gz OHLUPJIOEOAWET-OAHLLOKOSA-N 2 0 299.459 1.334 10 0 CDAERP CCCC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001266426371 894810451 /nfs/dbraw/zinc/81/04/51/894810451.db2.gz KDYGSMRGJNICCZ-GJZGRUSLSA-N 2 0 281.444 1.755 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001266683077 895818749 /nfs/dbraw/zinc/81/87/49/895818749.db2.gz HAKVTMSMXCSRCT-ZNMIVQPWSA-N 2 0 281.444 1.896 10 0 CDAERP CN(CC[NH2+]C[C@H]1CCCCO1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001266744957 895955452 /nfs/dbraw/zinc/95/54/52/895955452.db2.gz YVRVAEABGNSYMD-CABCVRRESA-N 2 0 297.443 1.088 10 0 CDAERP CN(CC[NH2+]CC1CC1)C(=O)C12CCC[NH+]1CCC2 ZINC001266759962 895992045 /nfs/dbraw/zinc/99/20/45/895992045.db2.gz PGRSCBFHGDCSTM-UHFFFAOYSA-N 2 0 265.401 1.073 10 0 CDAERP CN(CC[NH2+]CCF)C(=O)c1ccccc1CC[NH+](C)C ZINC001567535532 1168838966 /nfs/dbraw/zinc/83/89/66/1168838966.db2.gz CZZMQBXCNYCTRS-UHFFFAOYSA-N 2 0 295.402 1.422 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001267041963 896621866 /nfs/dbraw/zinc/62/18/66/896621866.db2.gz UYSUXJRDBKUKRG-HRCADAONSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]CC=C(C)C)C1)[NH+](C)C ZINC001267058931 896657113 /nfs/dbraw/zinc/65/71/13/896657113.db2.gz REKZPKHNHABABS-GJZGRUSLSA-N 2 0 281.444 1.731 10 0 CDAERP C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000693562291 896659077 /nfs/dbraw/zinc/65/90/77/896659077.db2.gz NHDUDUVAIHKHSY-IXDOHACOSA-N 2 0 273.424 1.930 10 0 CDAERP CCCC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001267281070 897457242 /nfs/dbraw/zinc/45/72/42/897457242.db2.gz FWFCXVPZFZKSSM-CQSZACIVSA-N 2 0 267.417 1.463 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[N@H+](C)CCCF ZINC001480951217 898110084 /nfs/dbraw/zinc/11/00/84/898110084.db2.gz RUOQNSAKPKEOCM-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001267513874 898196307 /nfs/dbraw/zinc/19/63/07/898196307.db2.gz PQUVVTLNVUUZDJ-KBPBESRZSA-N 2 0 267.417 1.317 10 0 CDAERP CCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CN(C)CCO2)C1 ZINC001267610756 898923133 /nfs/dbraw/zinc/92/31/33/898923133.db2.gz OOICPRHBZWWQEM-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]CC[C@@H](C)F ZINC001481229201 899513397 /nfs/dbraw/zinc/51/33/97/899513397.db2.gz PALPABDQBGCDIZ-ZIAGYGMSSA-N 2 0 287.423 1.655 10 0 CDAERP CC[N@H+](C)CC1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001267759388 899617838 /nfs/dbraw/zinc/61/78/38/899617838.db2.gz YBSDOHALMIELFT-UHFFFAOYSA-N 2 0 283.460 1.909 10 0 CDAERP CC[C@@H](C(=O)N1CCC(CC[NH2+]CCOC)CC1)[NH+](C)C ZINC001267917599 899968981 /nfs/dbraw/zinc/96/89/81/899968981.db2.gz MRUINQKKJRCJAM-HNNXBMFYSA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001268014031 900297268 /nfs/dbraw/zinc/29/72/68/900297268.db2.gz JIBXDHQYWQVRKN-ZIAGYGMSSA-N 2 0 269.433 1.470 10 0 CDAERP CC/C=C/CC[N@@H+]1CCC[C@@H](NC(=O)Cn2ccnc2)C1 ZINC001268152765 901426864 /nfs/dbraw/zinc/42/68/64/901426864.db2.gz BESKYPZLODHYSW-NHZBNJEXSA-N 2 0 290.411 1.820 10 0 CDAERP CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001268208214 901570065 /nfs/dbraw/zinc/57/00/65/901570065.db2.gz JNNROJNOFMMGAZ-KBPBESRZSA-N 2 0 269.433 1.610 10 0 CDAERP COCCC[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001268248099 901666294 /nfs/dbraw/zinc/66/62/94/901666294.db2.gz SXNYVYAUIQWOSB-GJZGRUSLSA-N 2 0 299.459 1.143 10 0 CDAERP CCOCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001481740924 901987572 /nfs/dbraw/zinc/98/75/72/901987572.db2.gz VGMQEHCNHJDZTG-HUUCEWRRSA-N 2 0 299.459 1.142 10 0 CDAERP C[C@@H](CC[NH2+]Cc1cscn1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268424152 902038437 /nfs/dbraw/zinc/03/84/37/902038437.db2.gz SDSMRMCREFQDOO-NWDGAFQWSA-N 2 0 296.440 1.079 10 0 CDAERP CCN(CC[NH2+]CC[C@@H](C)F)C(=O)C1([NH+](C)C)CCC1 ZINC001268452758 902111057 /nfs/dbraw/zinc/11/10/57/902111057.db2.gz BGONOTOSQVBITK-CYBMUJFWSA-N 2 0 287.423 1.657 10 0 CDAERP CC[C@@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+]CC[C@@H](C)F ZINC001481828727 902186805 /nfs/dbraw/zinc/18/68/05/902186805.db2.gz GMPFRYAZRGSOTR-KGLIPLIRSA-N 2 0 299.434 1.847 10 0 CDAERP CC/C=C\CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001498021004 902305705 /nfs/dbraw/zinc/30/57/05/902305705.db2.gz BDQGTROBZRCPFQ-MEWZEZIVSA-N 2 0 267.417 1.531 10 0 CDAERP CCC[NH2+]C[C@@](C)(NC(=O)[C@H](C)Cc1c[nH]cn1)C1CC1 ZINC001481943562 902386371 /nfs/dbraw/zinc/38/63/71/902386371.db2.gz IVAKHUDSWVCIIA-MLGOLLRUSA-N 2 0 292.427 1.873 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@H]1CC[C@H]([NH2+]C/C=C\Cl)CC1 ZINC001482026113 902483089 /nfs/dbraw/zinc/48/30/89/902483089.db2.gz QNYOCTZANXLRRN-IXQQOLTJSA-N 2 0 299.846 1.852 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)C[NH2+]CCCF)CC[N@@H+]1C ZINC001482103534 902650600 /nfs/dbraw/zinc/65/06/00/902650600.db2.gz VWCRNSCIPDNZTQ-HZSPNIEDSA-N 2 0 287.423 1.418 10 0 CDAERP CC(C)[C@H](C(=O)NC/C=C/C[NH2+]C/C=C\Cl)[NH+](C)C ZINC001268586925 902688490 /nfs/dbraw/zinc/68/84/90/902688490.db2.gz GOALPPNBCQIWFL-IIIFVOEHSA-N 2 0 287.835 1.587 10 0 CDAERP CC(C)[N@H+](C)CCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001422172979 902725461 /nfs/dbraw/zinc/72/54/61/902725461.db2.gz CONWOBRYQXZXKT-LSDHHAIUSA-N 2 0 281.444 1.802 10 0 CDAERP CC[NH2+]C/C=C\CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001268628810 902842518 /nfs/dbraw/zinc/84/25/18/902842518.db2.gz QOULPGMTYGJQGF-NTQVKLLNSA-N 2 0 253.390 1.141 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001269309998 903680685 /nfs/dbraw/zinc/68/06/85/903680685.db2.gz LUMNOSJAKWZQHB-INIZCTEOSA-N 2 0 293.455 1.875 10 0 CDAERP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CC=C(C)C ZINC001269459785 903831020 /nfs/dbraw/zinc/83/10/20/903831020.db2.gz BQLBEBHXRFFLQB-ZDUSSCGKSA-N 2 0 255.406 1.389 10 0 CDAERP CC[C@@H](C)C[NH2+]C1(CNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001269493906 903858675 /nfs/dbraw/zinc/85/86/75/903858675.db2.gz HPQDSCMJTSQYRA-OLZOCXBDSA-N 2 0 269.433 1.611 10 0 CDAERP CC[C@@H](C(=O)N1CCC[C@H](CC[NH2+]CCF)C1)[NH+](C)C ZINC001269790101 904118218 /nfs/dbraw/zinc/11/82/18/904118218.db2.gz CWGRPKZDBYDOKO-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001270122265 904378677 /nfs/dbraw/zinc/37/86/77/904378677.db2.gz YBIUOHIDUAQYSE-UONOGXRCSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001270185063 904424734 /nfs/dbraw/zinc/42/47/34/904424734.db2.gz ZQGHTUSDPBFZSV-HUUCEWRRSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H]1C[C@H](C(=O)N2CC[N@H+](C)C(C)(C)CC2)CC[NH2+]1 ZINC000712679460 904545240 /nfs/dbraw/zinc/54/52/40/904545240.db2.gz VQUYTVHTWDEZEC-CHWSQXEVSA-N 2 0 267.417 1.317 10 0 CDAERP CCC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001271450586 906435387 /nfs/dbraw/zinc/43/53/87/906435387.db2.gz VOKHOERTUIRQFQ-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@H](F)C[NH2+]CC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001482868501 908447590 /nfs/dbraw/zinc/44/75/90/908447590.db2.gz UWDVJOYJCVFKCC-JSGCOSHPSA-N 2 0 287.423 1.561 10 0 CDAERP CC[NH2+]C/C=C/CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001483060091 909197114 /nfs/dbraw/zinc/19/71/14/909197114.db2.gz CRAXDXJEQAXLND-LQYUOIDQSA-N 2 0 285.407 1.481 10 0 CDAERP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@H]1CCC3(CCC3)O1)C2 ZINC000712485174 909566265 /nfs/dbraw/zinc/56/62/65/909566265.db2.gz LCQWTUOCEDSXHQ-BFHYXJOUSA-N 2 0 250.386 1.629 10 0 CDAERP C[C@H](C[NH2+]Cc1ccsc1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001483166535 909897552 /nfs/dbraw/zinc/89/75/52/909897552.db2.gz JBROWIIDKMHZEU-QWHCGFSZSA-N 2 0 295.452 1.684 10 0 CDAERP C[C@H](C[NH2+]C/C=C/Cl)NC(=O)CCC[NH+]1CCCC1 ZINC001483198785 909967525 /nfs/dbraw/zinc/96/75/25/909967525.db2.gz ZVSFSRKSXUYUGY-VUDGCMKMSA-N 2 0 287.835 1.709 10 0 CDAERP C[C@@H](C[NH2+]CCC(F)(F)F)NC(=O)C[N@H+](C)C1CCC1 ZINC001483235540 910485407 /nfs/dbraw/zinc/48/54/07/910485407.db2.gz UZJWFQPOZRRSPS-JTQLQIEISA-N 2 0 295.349 1.517 10 0 CDAERP C[C@@H](C[NH2+]CC1CCCCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001483294285 910806477 /nfs/dbraw/zinc/80/64/77/910806477.db2.gz VECIBEZCGKVSET-ZFWWWQNUSA-N 2 0 281.444 1.613 10 0 CDAERP Cc1csc(C[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C(C)C)n1 ZINC001483296435 910815401 /nfs/dbraw/zinc/81/54/01/910815401.db2.gz ILOSDDLEPZCKGX-NSHDSACASA-N 2 0 298.456 1.386 10 0 CDAERP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCCCCF ZINC001507156414 910831894 /nfs/dbraw/zinc/83/18/94/910831894.db2.gz XWPAEWPKBSGDHT-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001568060532 1169129369 /nfs/dbraw/zinc/12/93/69/1169129369.db2.gz OKBLDKIOXHWTEC-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H](CC[NH2+]CCF)C1 ZINC001568072867 1169131605 /nfs/dbraw/zinc/13/16/05/1169131605.db2.gz HRZLQCNOVNTAJE-AWEZNQCLSA-N 2 0 287.423 1.516 10 0 CDAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]CC1CCCCC1 ZINC001422062721 911611018 /nfs/dbraw/zinc/61/10/18/911611018.db2.gz MRUJYBIWPMTVJH-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CCCF)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001483907886 915204812 /nfs/dbraw/zinc/20/48/12/915204812.db2.gz FSYYDUYCTRLVRQ-UKRRQHHQSA-N 2 0 299.434 1.657 10 0 CDAERP C1C[C@@H]2C[C@H]([NH2+][C@@H]3CCC4(C3)OCCO4)CC[N@@H+]2C1 ZINC001178337089 915345210 /nfs/dbraw/zinc/34/52/10/915345210.db2.gz XTCMYKNVBCLWBA-MGPQQGTHSA-N 2 0 266.385 1.498 10 0 CDAERP CCCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001484125228 915448610 /nfs/dbraw/zinc/44/86/10/915448610.db2.gz MPSIMSHYNUFVRN-DOTOQJQBSA-N 2 0 295.471 1.957 10 0 CDAERP CCC(CC)C[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001484412345 915737652 /nfs/dbraw/zinc/73/76/52/915737652.db2.gz OSFULUFYGBJJLQ-IYBDPMFKSA-N 2 0 295.471 1.765 10 0 CDAERP CCCC[N@H+](C)[C@@H](C)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001485386351 916937555 /nfs/dbraw/zinc/93/75/55/916937555.db2.gz WOQYRTDLNLAWLJ-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]CCC1CC1 ZINC001568208808 1169179821 /nfs/dbraw/zinc/17/98/21/1169179821.db2.gz HXIICYNMJKARCH-TZMCWYRMSA-N 2 0 267.417 1.080 10 0 CDAERP CC[C@@H](F)C[N@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001485766861 917266385 /nfs/dbraw/zinc/26/63/85/917266385.db2.gz MCYWVIMBQVERII-ZIAGYGMSSA-N 2 0 299.434 1.609 10 0 CDAERP C[C@H](CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]C/C=C/Cl ZINC001485891684 920553710 /nfs/dbraw/zinc/55/37/10/920553710.db2.gz IWMBYWRFXKGUNW-DZTBXEGKSA-N 2 0 287.835 1.660 10 0 CDAERP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccns1 ZINC001485956157 920595733 /nfs/dbraw/zinc/59/57/33/920595733.db2.gz UKPJTHIJAXNWKG-NEPJUHHUSA-N 2 0 296.440 1.031 10 0 CDAERP C[N@H+](CC(=O)N[C@H]1CC[C@H](C[NH2+]CCF)C1)C1CCC1 ZINC001486200837 920806841 /nfs/dbraw/zinc/80/68/41/920806841.db2.gz AJZDURBEDROSKQ-STQMWFEESA-N 2 0 285.407 1.315 10 0 CDAERP CC(C)OCC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001490902685 936685141 /nfs/dbraw/zinc/68/51/41/936685141.db2.gz QCSFQSKAXYPOHB-KKUMJFAQSA-N 2 0 299.459 1.234 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](O)C[NH+](C)C(C)C ZINC001486359524 920923819 /nfs/dbraw/zinc/92/38/19/920923819.db2.gz YHOVICOASUZYHW-CABCVRRESA-N 2 0 299.459 1.020 10 0 CDAERP CC[C@H](C(=O)NCC1=CC[N@H+](C[C@@H](C)OC)CC1)[NH+](C)C ZINC001486518663 921096622 /nfs/dbraw/zinc/09/66/22/921096622.db2.gz DMBDEWPLVCPHAN-UKRRQHHQSA-N 2 0 297.443 1.110 10 0 CDAERP CC[NH+](CC)CC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC001649366192 1169244517 /nfs/dbraw/zinc/24/45/17/1169244517.db2.gz ZEUCNDOPUKGTKH-ZFWWWQNUSA-N 2 0 281.444 1.850 10 0 CDAERP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000923549333 923921537 /nfs/dbraw/zinc/92/15/37/923921537.db2.gz HWOLUBASSHIAIK-CABCVRRESA-N 2 0 270.417 1.095 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001491273972 936886858 /nfs/dbraw/zinc/88/68/58/936886858.db2.gz YKKBKYQFXLFJHM-AWEZNQCLSA-N 2 0 267.417 1.463 10 0 CDAERP CCOCCC[NH2+][C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001491512677 936926514 /nfs/dbraw/zinc/92/65/14/936926514.db2.gz HBRYWUNATDVAHE-AWEZNQCLSA-N 2 0 297.443 1.136 10 0 CDAERP CC[C@H](F)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001410165522 925333914 /nfs/dbraw/zinc/33/39/14/925333914.db2.gz XAAGXHDEVWRMSF-ZQDZILKHSA-N 2 0 299.434 1.370 10 0 CDAERP CC[C@H](C(=O)N1CCC(CC)([NH2+]CCCO)CC1)[NH+](C)C ZINC001273795983 925920315 /nfs/dbraw/zinc/92/03/15/925920315.db2.gz RWDFNUBQXKDWEQ-CQSZACIVSA-N 2 0 299.459 1.070 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1C[C@H](C)O ZINC001489141447 926811486 /nfs/dbraw/zinc/81/14/86/926811486.db2.gz PWWBDJYQJSMAPO-SOUVJXGZSA-N 2 0 299.459 1.068 10 0 CDAERP CC[C@@H](C(=O)NCCC[N@H+](C)CC1CCC1)[NH+](C)C ZINC001490250415 927056694 /nfs/dbraw/zinc/05/66/94/927056694.db2.gz KLNXNLRAUSTPCS-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@@H]([NH2+]CCF)[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001490310787 927109345 /nfs/dbraw/zinc/10/93/45/927109345.db2.gz UBGWKCWATCNLNW-KGLIPLIRSA-N 2 0 285.407 1.411 10 0 CDAERP CCCNC(=O)CC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693718866 937250921 /nfs/dbraw/zinc/25/09/21/937250921.db2.gz OQZHBIVJQCKEOL-KWCYVHTRSA-N 2 0 267.417 1.269 10 0 CDAERP CCOCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001318414074 930374573 /nfs/dbraw/zinc/37/45/73/930374573.db2.gz RMDBQGPJZXXOOS-HUUCEWRRSA-N 2 0 297.443 1.040 10 0 CDAERP C[C@@H]1C[N@H+](C(C)(C)CNc2cc[nH+]cc2)C[C@H](C)O1 ZINC001116184749 937435421 /nfs/dbraw/zinc/43/54/21/937435421.db2.gz LCQUFMBZFJWXJW-BETUJISGSA-N 2 0 263.385 1.803 10 0 CDAERP C[N@H+](CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CCF)C1CCC1 ZINC001320148110 931499604 /nfs/dbraw/zinc/49/96/04/931499604.db2.gz SUKAJILORGZETC-TZMCWYRMSA-N 2 0 285.407 1.315 10 0 CDAERP COCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001274498451 931504497 /nfs/dbraw/zinc/50/44/97/931504497.db2.gz LMRAKSLPSMGDST-NWRQEBOHSA-N 2 0 297.443 1.015 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001274702269 931552533 /nfs/dbraw/zinc/55/25/33/931552533.db2.gz RWUFEFVMHVYRNG-OLZOCXBDSA-N 2 0 255.406 1.221 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C[NH2+]CCc1ccccc1)[NH+](C)C ZINC001274803289 931580568 /nfs/dbraw/zinc/58/05/68/931580568.db2.gz CHVAZGVVNQCXRE-GDBMZVCRSA-N 2 0 291.439 1.664 10 0 CDAERP COCCN(CC[NH+](C)C)C(=O)[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001411779662 932016621 /nfs/dbraw/zinc/01/66/21/932016621.db2.gz ACDTVSSHIKOECC-HNNXBMFYSA-N 2 0 299.459 1.143 10 0 CDAERP CCCC[NH2+]CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001276209024 932643343 /nfs/dbraw/zinc/64/33/43/932643343.db2.gz NVSROCRHNIVNLT-UHFFFAOYSA-N 2 0 269.433 1.566 10 0 CDAERP C[C@@H](F)CC[NH2+]CCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001276226735 932662391 /nfs/dbraw/zinc/66/23/91/932662391.db2.gz IUCWTGRSVKYUQU-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP CN(CCC[NH2+]CCF)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001276271310 932701486 /nfs/dbraw/zinc/70/14/86/932701486.db2.gz DPNQRDNBSYNGCV-KBPBESRZSA-N 2 0 285.407 1.411 10 0 CDAERP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCc1ccns1 ZINC000925733803 932935226 /nfs/dbraw/zinc/93/52/26/932935226.db2.gz XYJPELCACSNUPS-WCQGTBRESA-N 2 0 255.387 1.028 10 0 CDAERP CN(C(=O)[C@@H]1CCCC[C@@H]1[NH3+])c1cc(C[NH3+])ccn1 ZINC001119621668 937740393 /nfs/dbraw/zinc/74/03/93/937740393.db2.gz OTZPKPHQIZCBBT-NEPJUHHUSA-N 2 0 262.357 1.021 10 0 CDAERP CC(C)CNC(=O)C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC001119631491 937741760 /nfs/dbraw/zinc/74/17/60/937741760.db2.gz WMDQINHIYHLTRA-NWDGAFQWSA-N 2 0 255.406 1.254 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC001413337624 935992423 /nfs/dbraw/zinc/99/24/23/935992423.db2.gz SPHASANVEPMALJ-HOCLYGCPSA-N 2 0 295.471 1.812 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC001166876615 939646432 /nfs/dbraw/zinc/64/64/32/939646432.db2.gz SJXQQIRPVPJVOB-KGLIPLIRSA-N 2 0 269.433 1.422 10 0 CDAERP C[C@@H](CC[NH2+]Cc1ccon1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001568698201 1169435137 /nfs/dbraw/zinc/43/51/37/1169435137.db2.gz ASMTUCSYODQYFF-STQMWFEESA-N 2 0 294.399 1.001 10 0 CDAERP [NH3+][C@H]1C[C@@H]([NH2+]CCc2nnc3ccccn32)C12CCC2 ZINC000405255727 940976469 /nfs/dbraw/zinc/97/64/69/940976469.db2.gz MCIAFERTTSLPTP-NWDGAFQWSA-N 2 0 271.368 1.131 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001362034749 970800439 /nfs/dbraw/zinc/80/04/39/970800439.db2.gz CTBQCXRTBPXDTL-INIZCTEOSA-N 2 0 295.471 1.907 10 0 CDAERP C[C@H](CNC(=O)[C@@H](C)CC[NH+](C)C)C[NH+]1CCCCC1 ZINC001362067240 970841615 /nfs/dbraw/zinc/84/16/15/970841615.db2.gz YSRFQVYTUGDRHK-CABCVRRESA-N 2 0 283.460 1.812 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CCC2CC2)C1)[NH+](C)C ZINC001277074323 941915377 /nfs/dbraw/zinc/91/53/77/941915377.db2.gz DGZYZXSAFGDKSF-KKUMJFAQSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)[NH2+]CC1CC(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001282084147 942653643 /nfs/dbraw/zinc/65/36/43/942653643.db2.gz NIVJXRWXFHCGNS-UHFFFAOYSA-N 2 0 255.406 1.219 10 0 CDAERP C[C@@H](F)CC[NH2+]CC1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001282066054 942653690 /nfs/dbraw/zinc/65/36/90/942653690.db2.gz FJUGBBLCXKTBID-IYXRBSQSSA-N 2 0 297.418 1.315 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CCCCCF)CN1C(=O)CC[NH+](C)C ZINC001284002581 943045638 /nfs/dbraw/zinc/04/56/38/943045638.db2.gz HBZFSGLJYQHALT-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP COCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001277883934 943942769 /nfs/dbraw/zinc/94/27/69/943942769.db2.gz SXKVMXQJUWAKGY-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H](C[NH2+]CCCF)C1CC1 ZINC001331271839 943952943 /nfs/dbraw/zinc/95/29/43/943952943.db2.gz ZILGEALNGAAUTC-UONOGXRCSA-N 2 0 285.407 1.267 10 0 CDAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)CC[NH+]3CC[C@H](F)C3)CC[C@H]21 ZINC001362230505 971044546 /nfs/dbraw/zinc/04/45/46/971044546.db2.gz UJUZLDPXMZZKGH-QLFBSQMISA-N 2 0 297.418 1.363 10 0 CDAERP C[C@@H]([NH2+]CCCF)[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001265094729 944226798 /nfs/dbraw/zinc/22/67/98/944226798.db2.gz IXRSYRLGNQQLBH-HUUCEWRRSA-N 2 0 299.434 1.801 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001265121579 944237598 /nfs/dbraw/zinc/23/75/98/944237598.db2.gz WSEDKPPMORTAFW-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001265618953 944448987 /nfs/dbraw/zinc/44/89/87/944448987.db2.gz CYHZZMBVXBWBDD-ZIAGYGMSSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC1=CCCCC1 ZINC001265758322 944493098 /nfs/dbraw/zinc/49/30/98/944493098.db2.gz ATJFDKAZOHMEDL-ZFWWWQNUSA-N 2 0 279.428 1.675 10 0 CDAERP CC[N@H+](C)CCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001265871873 944551454 /nfs/dbraw/zinc/55/14/54/944551454.db2.gz IDOXZYCQOKZKCE-ZIAGYGMSSA-N 2 0 267.417 1.461 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001265975426 944609479 /nfs/dbraw/zinc/60/94/79/944609479.db2.gz ACSJRXNLYHEMDA-BZUAXINKSA-N 2 0 295.471 1.811 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](CC1CC1)C1CC1 ZINC001266152648 944718252 /nfs/dbraw/zinc/71/82/52/944718252.db2.gz XDXNLRDYVDQLHL-OAHLLOKOSA-N 2 0 279.428 1.461 10 0 CDAERP COCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001266203905 944751354 /nfs/dbraw/zinc/75/13/54/944751354.db2.gz MGSFGZRTSORMAJ-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP COCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001266203906 944752729 /nfs/dbraw/zinc/75/27/29/944752729.db2.gz MGSFGZRTSORMAJ-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CCOCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266237455 944775287 /nfs/dbraw/zinc/77/52/87/944775287.db2.gz WSDUXJROFHJJRW-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP C[N@@H+]1CCN(C(=O)C[NH2+]C(C)(C)C)C[C@H]1C(C)(C)C ZINC001262175027 946492645 /nfs/dbraw/zinc/49/26/45/946492645.db2.gz RLQKHRUMDMYOKD-LBPRGKRZSA-N 2 0 269.433 1.563 10 0 CDAERP CC[N@@H+]1CCC[C@H](CN[C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC001262202618 946517022 /nfs/dbraw/zinc/51/70/22/946517022.db2.gz YHPNIDGVQLIIRP-RDBSUJKOSA-N 2 0 251.418 1.578 10 0 CDAERP OCCCOCC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC001262201735 946517180 /nfs/dbraw/zinc/51/71/80/946517180.db2.gz DJPVIAXJLSIHPS-LSDHHAIUSA-N 2 0 270.417 1.143 10 0 CDAERP CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H](CC)[NH+](C)C ZINC001479572364 971342497 /nfs/dbraw/zinc/34/24/97/971342497.db2.gz NGFYYVGCBWWYMI-ILXRZTDVSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CCCF ZINC001479708499 971377304 /nfs/dbraw/zinc/37/73/04/971377304.db2.gz CPIJMNSIXAMQRV-OLZOCXBDSA-N 2 0 285.407 1.409 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001479778820 971413406 /nfs/dbraw/zinc/41/34/06/971413406.db2.gz YIDVGTLDPJKQKY-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@H]1C[C@H]([NH2+]CCCF)CN1C(=O)C12CC[NH+](CC1)C2 ZINC001278416252 947813885 /nfs/dbraw/zinc/81/38/85/947813885.db2.gz LLRMSMUPKVVHHX-STQMWFEESA-N 2 0 283.391 1.021 10 0 CDAERP C[C@@H]([NH2+]CC1CC1)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001279038049 948630679 /nfs/dbraw/zinc/63/06/79/948630679.db2.gz DKBCEDBJMYGGQZ-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CCCCCF)C2)C1 ZINC001479970597 971518702 /nfs/dbraw/zinc/51/87/02/971518702.db2.gz GEIMRAMWHYFZMI-KGLIPLIRSA-N 2 0 285.407 1.268 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC12CC[NH+](CC1CC1)CC2 ZINC001479988422 971526213 /nfs/dbraw/zinc/52/62/13/971526213.db2.gz PNRUGVMMNIODEO-HNNXBMFYSA-N 2 0 293.455 1.707 10 0 CDAERP CC[N@@H+]1CC[C@@H]1C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC001362822342 971645683 /nfs/dbraw/zinc/64/56/83/971645683.db2.gz FOXLPRLBARVMRZ-LSDHHAIUSA-N 2 0 279.428 1.271 10 0 CDAERP C[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]CCCF)C2)CC1 ZINC001278596153 950345242 /nfs/dbraw/zinc/34/52/42/950345242.db2.gz ZVOLQYIGXIXXOG-ZFWWWQNUSA-N 2 0 299.434 1.562 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C[NH2+]CC2CCC2)C1 ZINC001480306997 971665448 /nfs/dbraw/zinc/66/54/48/971665448.db2.gz OOXFVULTACVVEK-INIZCTEOSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H]([NH2+]CCCF)C2)C1 ZINC001480619381 971811634 /nfs/dbraw/zinc/81/16/34/971811634.db2.gz VBIXNHXGLJRNNQ-CABCVRRESA-N 2 0 299.434 1.659 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)CC[NH+]1CC[C@H](F)C1 ZINC001363489367 953372356 /nfs/dbraw/zinc/37/23/56/953372356.db2.gz JGWSIEJMSKDFGZ-ZDUSSCGKSA-N 2 0 287.423 1.657 10 0 CDAERP CCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](C)CC1(C)C ZINC001363637058 953581750 /nfs/dbraw/zinc/58/17/50/953581750.db2.gz YVASAMIYWYGJBD-ZIAGYGMSSA-N 2 0 281.444 1.707 10 0 CDAERP CC[N@@H+]1CCC[C@@](C)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001324971731 953662004 /nfs/dbraw/zinc/66/20/04/953662004.db2.gz JVCOWVRJLBHBIM-INIZCTEOSA-N 2 0 283.460 1.957 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001493111175 971952303 /nfs/dbraw/zinc/95/23/03/971952303.db2.gz OGMCXDWMBQMPEX-CABCVRRESA-N 2 0 281.444 1.850 10 0 CDAERP Cc1noc2ncc(C[NH2+]CCCN3CCC3)cc12 ZINC001334318078 954105262 /nfs/dbraw/zinc/10/52/62/954105262.db2.gz CDJVPTZMQBCTHK-UHFFFAOYSA-N 2 0 260.341 1.717 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001493240238 971994920 /nfs/dbraw/zinc/99/49/20/971994920.db2.gz PWWVDDPCJIUXMV-HOTGVXAUSA-N 2 0 295.471 1.957 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001493265297 972001339 /nfs/dbraw/zinc/00/13/39/972001339.db2.gz WJLCTCWUPZGJBC-MRXNPFEDSA-N 2 0 293.455 1.711 10 0 CDAERP CCN1[C@H](C)C[N@@H+](C[C@H](C)CN2CCOCC2)C[C@@H]1C ZINC001364442244 954618685 /nfs/dbraw/zinc/61/86/85/954618685.db2.gz DWFYXXWICGLYDQ-OAGGEKHMSA-N 2 0 283.460 1.369 10 0 CDAERP CN(CC[NH2+]Cc1ccccc1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001493499750 972070522 /nfs/dbraw/zinc/07/05/22/972070522.db2.gz JUECTUQFDAMBPW-HNNXBMFYSA-N 2 0 275.396 1.329 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCC1CC1)C2 ZINC001421511457 955383448 /nfs/dbraw/zinc/38/34/48/955383448.db2.gz DAXBCFMYAPJQBQ-JYJNAYRXSA-N 2 0 293.455 1.707 10 0 CDAERP CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C ZINC001421634874 955444880 /nfs/dbraw/zinc/44/48/80/955444880.db2.gz MFPXBQMKUSFLDA-HUUCEWRRSA-N 2 0 281.444 1.804 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+]Cc1cccc(F)c1 ZINC001421751159 955521666 /nfs/dbraw/zinc/52/16/66/955521666.db2.gz WKMOMIBCZDTVSQ-CYBMUJFWSA-N 2 0 295.402 1.619 10 0 CDAERP CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CCC1 ZINC001421773217 955538333 /nfs/dbraw/zinc/53/83/33/955538333.db2.gz MJPMGJZKOAHRTG-UONOGXRCSA-N 2 0 279.428 1.652 10 0 CDAERP Cc1cc(C[NH2+]CCN(C)C(=O)C[N@@H+](C)C(C)C)sn1 ZINC001493805968 972117391 /nfs/dbraw/zinc/11/73/91/972117391.db2.gz CGSVUVJTRKIJSQ-UHFFFAOYSA-N 2 0 298.456 1.340 10 0 CDAERP CCCC[N@H+](C)CC1CC[NH+](CCNC(=O)C2CC2)CC1 ZINC001365263536 955791928 /nfs/dbraw/zinc/79/19/28/955791928.db2.gz GZRIFYGPHXXCEU-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP C[NH+](C)CCCC(=O)NCC[N@H+](C)C[C@H]1CC(C)(C)CO1 ZINC001492392775 955860475 /nfs/dbraw/zinc/86/04/75/955860475.db2.gz ISKFDACEGHMBLY-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CC[NH+](C3CCCC3)[C@H](C)C2)CC[N@@H+]1C ZINC001363396202 972136211 /nfs/dbraw/zinc/13/62/11/972136211.db2.gz LNRVJAPOQMUVBI-IIAWOOMASA-N 2 0 293.455 1.802 10 0 CDAERP [NH3+]C[C@H]1Cc2ccccc2N(C[C@@H]2CCC[NH2+]C2)C1 ZINC001329754724 956099060 /nfs/dbraw/zinc/09/90/60/956099060.db2.gz NQZDBPURKBHJBM-ZIAGYGMSSA-N 2 0 259.397 1.624 10 0 CDAERP CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CC2)C1)[NH+](C)C ZINC001365825180 956387990 /nfs/dbraw/zinc/38/79/90/956387990.db2.gz GGNAUMMSHLWPJO-OWCLPIDISA-N 2 0 295.471 1.857 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@]2(C)C[NH+](CC)C[C@]2(C)C1 ZINC001422874679 956416157 /nfs/dbraw/zinc/41/61/57/956416157.db2.gz JQBDBMAYAZQLGP-IYBDPMFKSA-N 2 0 281.444 1.519 10 0 CDAERP CN(CCF)C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001365910549 956438884 /nfs/dbraw/zinc/43/88/84/956438884.db2.gz VTIFXTXGCXDBIJ-KBPBESRZSA-N 2 0 285.407 1.221 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001423018648 956514772 /nfs/dbraw/zinc/51/47/72/956514772.db2.gz BBWLZZRTGHRMFH-HNNXBMFYSA-N 2 0 295.471 1.859 10 0 CDAERP CC[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]1[NH2+]CCF ZINC001423067769 956556398 /nfs/dbraw/zinc/55/63/98/956556398.db2.gz RCODOGZTNFPPBB-UONOGXRCSA-N 2 0 287.423 1.513 10 0 CDAERP CC[C@@H](C)C[N@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001317490157 956685836 /nfs/dbraw/zinc/68/58/36/956685836.db2.gz NHZOCDNDMRUBCO-KGLIPLIRSA-N 2 0 269.433 1.422 10 0 CDAERP CCC[NH2+]CCC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001330909598 956697059 /nfs/dbraw/zinc/69/70/59/956697059.db2.gz HARDUJBUOQOUJK-ZDUSSCGKSA-N 2 0 269.433 1.613 10 0 CDAERP CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCF)[NH+](C)C ZINC001316709530 956757305 /nfs/dbraw/zinc/75/73/05/956757305.db2.gz SISBPUZXDMIDPT-RDBSUJKOSA-N 2 0 287.423 1.513 10 0 CDAERP COCCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001316881256 957087548 /nfs/dbraw/zinc/08/75/48/957087548.db2.gz UMJJRHPULKYLJP-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCC(C)C)[NH+](C)C ZINC001366672057 957104363 /nfs/dbraw/zinc/10/43/63/957104363.db2.gz QRBPLFLFEDTIJN-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CCC(C)C)[NH+](C)C ZINC001366672049 957104880 /nfs/dbraw/zinc/10/48/80/957104880.db2.gz QRBPLFLFEDTIJN-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CCCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001366848728 957222761 /nfs/dbraw/zinc/22/27/61/957222761.db2.gz BHGQHPYZXXOXKI-HUUCEWRRSA-N 2 0 281.444 1.566 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001317057769 957233409 /nfs/dbraw/zinc/23/34/09/957233409.db2.gz KMINWMZAQZYYTQ-GJZGRUSLSA-N 2 0 279.428 1.319 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCCF ZINC001317246918 957378574 /nfs/dbraw/zinc/37/85/74/957378574.db2.gz XUVYGVGETQQPBB-OLZOCXBDSA-N 2 0 273.396 1.315 10 0 CDAERP CC/C=C\CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001317261334 957387391 /nfs/dbraw/zinc/38/73/91/957387391.db2.gz HAXIQSSXEVETFR-LUNKNMTDSA-N 2 0 281.444 1.921 10 0 CDAERP COCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001331997467 957390701 /nfs/dbraw/zinc/39/07/01/957390701.db2.gz PCZWXSLCQWGKCW-UONOGXRCSA-N 2 0 297.443 1.086 10 0 CDAERP CN(CC[NH2+]C/C=C/Cl)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001317600470 957592201 /nfs/dbraw/zinc/59/22/01/957592201.db2.gz JTSRSDLKHXRFIF-HOSRBBHYSA-N 2 0 273.808 1.271 10 0 CDAERP CC[C@@H](C)C[NH2+]CCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001317669467 957627397 /nfs/dbraw/zinc/62/73/97/957627397.db2.gz JGRJOTGTMIGQPU-OAHLLOKOSA-N 2 0 283.460 1.957 10 0 CDAERP CC[C@@H](C(=O)N1CC[C@H](C[N@H+](C)CCCOC)C1)[NH+](C)C ZINC001317855407 957698897 /nfs/dbraw/zinc/69/88/97/957698897.db2.gz WAPHGANFPGWTML-CABCVRRESA-N 2 0 299.459 1.143 10 0 CDAERP CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]C(C)C)[NH+](CC)CC ZINC001367375892 957978294 /nfs/dbraw/zinc/97/82/94/957978294.db2.gz ASFGPMDHASGIKQ-ZIAGYGMSSA-N 2 0 271.449 1.952 10 0 CDAERP CC[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC(C)C ZINC001318570798 958178198 /nfs/dbraw/zinc/17/81/98/958178198.db2.gz RLZFEJHZFNXLDJ-UONOGXRCSA-N 2 0 269.433 1.469 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1ccc(F)cn1 ZINC001367713565 958239046 /nfs/dbraw/zinc/23/90/46/958239046.db2.gz CSRBRHJBSIWNJL-GFCCVEGCSA-N 2 0 296.390 1.155 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccccc1F)[NH+](C)C ZINC001367766771 958315594 /nfs/dbraw/zinc/31/55/94/958315594.db2.gz GBKWFYRHJXSFAN-SWLSCSKDSA-N 2 0 295.402 1.760 10 0 CDAERP COCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001318966610 958323866 /nfs/dbraw/zinc/32/38/66/958323866.db2.gz VKZXXIONVXMMDO-KKUMJFAQSA-N 2 0 297.443 1.134 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@H](C[NH2+]CC2CC2)C2CC2)C1 ZINC001367898027 958464151 /nfs/dbraw/zinc/46/41/51/958464151.db2.gz GLGCUZTWCBDWEP-IUODEOHRSA-N 2 0 279.428 1.223 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]Cc1ccns1)C1CC1 ZINC001367914299 958473289 /nfs/dbraw/zinc/47/32/89/958473289.db2.gz VPAXUWMYXWXEEL-CYBMUJFWSA-N 2 0 296.440 1.079 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2nccs2)CC1 ZINC001333691555 958518510 /nfs/dbraw/zinc/51/85/10/958518510.db2.gz INULCSFJPPHOGB-UHFFFAOYSA-N 2 0 296.440 1.223 10 0 CDAERP CC(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001368351486 958781834 /nfs/dbraw/zinc/78/18/34/958781834.db2.gz ZITBBAPKKOSZMC-GJZGRUSLSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]CCC2CC2)CC[N@@H+]1C ZINC001371182883 972409151 /nfs/dbraw/zinc/40/91/51/972409151.db2.gz DAUGRQZPMVMQGI-AEGPPILISA-N 2 0 281.444 1.611 10 0 CDAERP CCN(CCNCc1coc(C)n1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001320694620 959333359 /nfs/dbraw/zinc/33/33/59/959333359.db2.gz SAEFAUPBXSHNDZ-CQSZACIVSA-N 2 0 294.399 1.015 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)CC(C)C ZINC001369008907 959396961 /nfs/dbraw/zinc/39/69/61/959396961.db2.gz RUTYBJGRIJCOFM-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)C1C[NH+](CCCF)C1 ZINC001369092919 959454768 /nfs/dbraw/zinc/45/47/68/959454768.db2.gz KJXSSWYXFSKSSB-GFCCVEGCSA-N 2 0 273.396 1.123 10 0 CDAERP CC[C@H](C(=O)NC/C=C/C[NH2+]CC1CCOCC1)[NH+](C)C ZINC001321110219 959598088 /nfs/dbraw/zinc/59/80/88/959598088.db2.gz MGDYOULGLFXYTN-LLYBFZRZSA-N 2 0 297.443 1.015 10 0 CDAERP CC[C@H](C(=O)NC/C=C/C[NH2+]C[C@@H]1CCCOC1)[NH+](C)C ZINC001321107894 959598163 /nfs/dbraw/zinc/59/81/63/959598163.db2.gz BZOOHDBRVKBAQC-ICWYTKJFSA-N 2 0 297.443 1.015 10 0 CDAERP CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]21 ZINC001369422653 959680572 /nfs/dbraw/zinc/68/05/72/959680572.db2.gz PYUJMYUWHVXMCS-ARFHVFGLSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](C[NH2+]CCC1CC1)NC(=O)CC[NH+]1CCCCC1 ZINC001321756854 959933807 /nfs/dbraw/zinc/93/38/07/959933807.db2.gz RMGDNNVDCFUOIS-CQSZACIVSA-N 2 0 281.444 1.757 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)NC(=O)CCc1c[nH]cn1 ZINC001321871001 959994257 /nfs/dbraw/zinc/99/42/57/959994257.db2.gz UUJQZKTVDPKQNE-LBPRGKRZSA-N 2 0 266.389 1.483 10 0 CDAERP Cc1cc(C[NH2+][C@@H](C)CNC(=O)CC[NH+](C)C)c(C)s1 ZINC001371345281 972481720 /nfs/dbraw/zinc/48/17/20/972481720.db2.gz IYPYCHBCBGMBLJ-NSHDSACASA-N 2 0 297.468 1.911 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001370630209 960169092 /nfs/dbraw/zinc/16/90/92/960169092.db2.gz DBFBLVHHNCZTPA-DCUPDMMRSA-N 2 0 299.846 1.850 10 0 CDAERP CN(CCC[NH2+]CC1CC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001322793963 960325371 /nfs/dbraw/zinc/32/53/71/960325371.db2.gz ZGRJYBFONWXCQB-AWEZNQCLSA-N 2 0 267.417 1.176 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)C2([NH+](C)C)CCCC2)C1 ZINC001433631863 960475108 /nfs/dbraw/zinc/47/51/08/960475108.db2.gz QLTRRJQQLKCNBN-AWEZNQCLSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CCF)C1)[NH+]1CCCC1 ZINC001418667001 960880819 /nfs/dbraw/zinc/88/08/19/960880819.db2.gz OZRXRLDKMHTVSY-ZNMIVQPWSA-N 2 0 299.434 1.561 10 0 CDAERP CCC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C[C@@H](F)CC ZINC001418706442 960927809 /nfs/dbraw/zinc/92/78/09/960927809.db2.gz AINHBRGMITUKKF-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](CCCF)C1 ZINC001418879451 961123295 /nfs/dbraw/zinc/12/32/95/961123295.db2.gz XIIFPIDAQOCHOX-AWEZNQCLSA-N 2 0 287.423 1.611 10 0 CDAERP CC[C@@H](C)C[NH+]1CC(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001419044432 961297474 /nfs/dbraw/zinc/29/74/74/961297474.db2.gz VJYFPYLUPCLXOD-OAHLLOKOSA-N 2 0 295.471 1.957 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001419081085 961354567 /nfs/dbraw/zinc/35/45/67/961354567.db2.gz IYIOXQMZRNSICO-ZIAGYGMSSA-N 2 0 287.423 1.513 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001419172899 961466597 /nfs/dbraw/zinc/46/65/97/961466597.db2.gz JTDGTPRBAVIPAX-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](CN1CCOCC1)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC001434485274 961509518 /nfs/dbraw/zinc/50/95/18/961509518.db2.gz LUDDVRMNWRFDQI-JKSUJKDBSA-N 2 0 283.460 1.371 10 0 CDAERP CC[C@@H](CNC(=O)COC1CC[NH+](C)CC1)[NH2+]CC(C)C ZINC001419256500 961559958 /nfs/dbraw/zinc/55/99/58/961559958.db2.gz DHDAPOVEVNHUGP-AWEZNQCLSA-N 2 0 299.459 1.238 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]2C[NH+](CCF)CC[C@@H]21 ZINC001419448068 961717469 /nfs/dbraw/zinc/71/74/69/961717469.db2.gz MKXOBMFOYATULX-GJZGRUSLSA-N 2 0 299.434 1.611 10 0 CDAERP CC(C)[C@H](C(=O)N(C)[C@H](C)C[NH2+]CC1CC1)[NH+]1CCCC1 ZINC001419774654 962097862 /nfs/dbraw/zinc/09/78/62/962097862.db2.gz YJYOIAQAHVAHQT-GDBMZVCRSA-N 2 0 295.471 1.953 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001419987781 962334367 /nfs/dbraw/zinc/33/43/67/962334367.db2.gz FOHQBJZJZYGTRI-SOUVJXGZSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]([NH2+]CC2CCC2)C2CC2)C1 ZINC001436805621 962430046 /nfs/dbraw/zinc/43/00/46/962430046.db2.gz IDYXPJBACZKRSZ-CZUORRHYSA-N 2 0 293.455 1.613 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001436919393 962498154 /nfs/dbraw/zinc/49/81/54/962498154.db2.gz IPKJXWMJEDHBLR-AVGNSLFASA-N 2 0 283.391 1.067 10 0 CDAERP CC(C)C[NH2+][C@H](C)CCNC(=O)COC1CC[NH+](C)CC1 ZINC001420155468 962511239 /nfs/dbraw/zinc/51/12/39/962511239.db2.gz NRNHYRNXGYUXPJ-CQSZACIVSA-N 2 0 299.459 1.238 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)Cc1ccsc1 ZINC001420379436 962815656 /nfs/dbraw/zinc/81/56/56/962815656.db2.gz BQDMSFXWOCSNBI-AWEZNQCLSA-N 2 0 295.452 1.780 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001420469416 962943891 /nfs/dbraw/zinc/94/38/91/962943891.db2.gz KCDITKIHKUYBRO-UKRRQHHQSA-N 2 0 299.434 1.799 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC001437723893 963144606 /nfs/dbraw/zinc/14/46/06/963144606.db2.gz FQCTULSHQNBUMZ-ZFWWWQNUSA-N 2 0 279.428 1.176 10 0 CDAERP CC(C)[N@H+](CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)C1CC1 ZINC001437805706 963187593 /nfs/dbraw/zinc/18/75/93/963187593.db2.gz DRBMOZXCDZZICQ-GOEBONIOSA-N 2 0 293.455 1.992 10 0 CDAERP C[NH+](C)CCCC(=O)NC[C@@H]1CC[N@@H+]1CC1CC(C)(C)C1 ZINC001420860915 963313418 /nfs/dbraw/zinc/31/34/18/963313418.db2.gz LLXGJMPRKOLULL-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001420882436 963326750 /nfs/dbraw/zinc/32/67/50/963326750.db2.gz FDFGJAUYXRAJNE-LSDHHAIUSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NCC[C@H]2CC[NH+](CCF)C2)C1 ZINC001420882376 963327434 /nfs/dbraw/zinc/32/74/34/963327434.db2.gz ZJZKYPNRMVQNCI-KBPBESRZSA-N 2 0 285.407 1.126 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]CC1CCCC1 ZINC001438554059 963482714 /nfs/dbraw/zinc/48/27/14/963482714.db2.gz YWBDVYPLSVJZQD-ZFWWWQNUSA-N 2 0 281.444 1.470 10 0 CDAERP C[C@@H](C[NH2+]CC1CC(F)(F)C1)N(C)C(=O)CC[NH+](C)C ZINC001438697192 963526708 /nfs/dbraw/zinc/52/67/08/963526708.db2.gz XOUVJMUQFKLJAF-NSHDSACASA-N 2 0 291.386 1.420 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@]1(C)CCC[N@H+](CCC2CC2)C1 ZINC001421285469 963533548 /nfs/dbraw/zinc/53/35/48/963533548.db2.gz PYBCBXBPJRRRCM-QGZVFWFLSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)C[C@@H](C[NH2+]C(C)C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001438724399 963535950 /nfs/dbraw/zinc/53/59/50/963535950.db2.gz ACJOFWPRPICTEG-LSDHHAIUSA-N 2 0 283.460 2.000 10 0 CDAERP CC(C)CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001438769093 963545181 /nfs/dbraw/zinc/54/51/81/963545181.db2.gz KCINSCOZMBRTGX-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP CN(CC[N@H+](C)CC1CCCC1)C(=O)C1(C[NH+](C)C)CC1 ZINC001438900813 963592080 /nfs/dbraw/zinc/59/20/80/963592080.db2.gz FFROPEYMOBRCKA-UHFFFAOYSA-N 2 0 295.471 1.909 10 0 CDAERP CC[C@H](C)C[NH2+][C@@H](CC)CNC(=O)C1CC[NH+](C)CC1 ZINC001421440848 963608713 /nfs/dbraw/zinc/60/87/13/963608713.db2.gz GEPSSLSDQPWCNS-ZFWWWQNUSA-N 2 0 283.460 1.859 10 0 CDAERP CC[C@@H](C)C[NH2+][C@@H](CC)CNC(=O)C1CC[NH+](C)CC1 ZINC001421440832 963608960 /nfs/dbraw/zinc/60/89/60/963608960.db2.gz GEPSSLSDQPWCNS-HIFRSBDPSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@@H](C[N@H+](C)CC1CCC1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001439322610 963722315 /nfs/dbraw/zinc/72/23/15/963722315.db2.gz FFKYVZARQTWSES-XJKSGUPXSA-N 2 0 293.455 1.565 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CC[NH+]2CC2CCC2)C1 ZINC001439568652 963802634 /nfs/dbraw/zinc/80/26/34/963802634.db2.gz FHZLKASJLDNBBW-HUUCEWRRSA-N 2 0 279.428 1.319 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]CC(C)C)C1 ZINC001440135107 963933275 /nfs/dbraw/zinc/93/32/75/963933275.db2.gz JVCMTXLUXGGWSO-LSDHHAIUSA-N 2 0 283.460 1.668 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC[N@@H+]1CC1CC1 ZINC001440493894 964084580 /nfs/dbraw/zinc/08/45/80/964084580.db2.gz HXMVAFYEHHNUPO-BMFZPTHFSA-N 2 0 293.455 1.850 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)CCC1CCCC1 ZINC001441006304 964323560 /nfs/dbraw/zinc/32/35/60/964323560.db2.gz BLWMDOWWTJFRDC-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]C/C=C/Cl)C1 ZINC001441335116 964464775 /nfs/dbraw/zinc/46/47/75/964464775.db2.gz ACHKSRYWURQZHV-SZBGIYDQSA-N 2 0 299.846 1.804 10 0 CDAERP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001441600179 964611606 /nfs/dbraw/zinc/61/16/06/964611606.db2.gz VZQBGKULIIATTG-ZIAGYGMSSA-N 2 0 299.459 1.190 10 0 CDAERP CCC[NH+]1CCC([C@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001442216374 964927054 /nfs/dbraw/zinc/92/70/54/964927054.db2.gz JFSRZSFBMGDSFP-LSDHHAIUSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001442603570 965132021 /nfs/dbraw/zinc/13/20/21/965132021.db2.gz NZOWHFXMTVJAOC-LSDHHAIUSA-N 2 0 299.459 1.049 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CCNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001443241356 965410859 /nfs/dbraw/zinc/41/08/59/965410859.db2.gz IJLLRYOJTFCWCO-CABCVRRESA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCCC[NH+]3CCCC3)C[N@@H+]2C1 ZINC001347262952 965444483 /nfs/dbraw/zinc/44/44/83/965444483.db2.gz XKKQCIHNESRLGN-PMPSAXMXSA-N 2 0 293.455 1.709 10 0 CDAERP C[NH+](C)CCC1CCN(C(=O)CC[N@@H+]2CC[C@@H](F)C2)CC1 ZINC001443456815 965476523 /nfs/dbraw/zinc/47/65/23/965476523.db2.gz FLJQSFJCRTXLEE-OAHLLOKOSA-N 2 0 299.434 1.611 10 0 CDAERP CC/C=C/CC[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001569418965 1169874457 /nfs/dbraw/zinc/87/44/57/1169874457.db2.gz NCARINNLABEGSY-RGDDUWESSA-N 2 0 293.455 1.923 10 0 CDAERP CC[C@@H](F)C[N@H+](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001445860689 966368155 /nfs/dbraw/zinc/36/81/55/966368155.db2.gz YXBVAROQOFYHOM-QWHCGFSZSA-N 2 0 285.407 1.267 10 0 CDAERP CC[C@H](C)C[NH+]1CCC(C)(NC(=O)CC[NH+](C)C)CC1 ZINC001446469510 966551877 /nfs/dbraw/zinc/55/18/77/966551877.db2.gz LHNMIULCAHWHGQ-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001447756421 966860568 /nfs/dbraw/zinc/86/05/68/966860568.db2.gz BUZPZBSRTCQQEG-QLFBSQMISA-N 2 0 281.444 1.659 10 0 CDAERP COC/C(C)=C/C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC001351161758 966872958 /nfs/dbraw/zinc/87/29/58/966872958.db2.gz MNDBBEMFNCTYAE-GIDUJCDVSA-N 2 0 269.433 1.148 10 0 CDAERP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)[C@H]1CCCCO1 ZINC000847076826 967021765 /nfs/dbraw/zinc/02/17/65/967021765.db2.gz GBMHCOCHWCZGRF-SOUVJXGZSA-N 2 0 270.417 1.380 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH+](C)C)C1(C)C ZINC001452133306 968069370 /nfs/dbraw/zinc/06/93/70/968069370.db2.gz KCPDZPIQBPNMJI-RDBSUJKOSA-N 2 0 281.444 1.704 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC001454061280 968419340 /nfs/dbraw/zinc/41/93/40/968419340.db2.gz PRRHGZUNPHVBJJ-AWEZNQCLSA-N 2 0 295.471 1.812 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CC(C)(C)C[NH+](C)C)C1 ZINC001472263208 968497974 /nfs/dbraw/zinc/49/79/74/968497974.db2.gz OYPFPCBELOQJFK-CYBMUJFWSA-N 2 0 269.433 1.374 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)Nc1ccc2c[nH+]cn2c1 ZINC001456441744 968975001 /nfs/dbraw/zinc/97/50/01/968975001.db2.gz LESWATGOFAOJOK-NSHDSACASA-N 2 0 260.341 1.861 10 0 CDAERP CC[C@@H](CNC(=[NH2+])N1CCO[C@@H](C)C1)[NH+]1CCCC1 ZINC000848986497 969381434 /nfs/dbraw/zinc/38/14/34/969381434.db2.gz YQTFQAPSXRQPFX-STQMWFEESA-N 2 0 268.405 1.106 10 0 CDAERP C([NH2+][C@H]1C[C@@H]2COC[C@@H]21)C1CC[NH+](C2CC2)CC1 ZINC001462169833 969671603 /nfs/dbraw/zinc/67/16/03/969671603.db2.gz BDRYTTVAFFXPJO-SNPRPXQTSA-N 2 0 250.386 1.485 10 0 CDAERP O=C(CC[N@H+]1CC[C@H](F)C1)NCCC[NH+]1CCCCCC1 ZINC001463767964 969750303 /nfs/dbraw/zinc/75/03/03/969750303.db2.gz ZBFROCJLAHZGDP-HNNXBMFYSA-N 2 0 299.434 1.803 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H]([NH+](C)C)C2(C)C)C1 ZINC001469333631 970241464 /nfs/dbraw/zinc/24/14/64/970241464.db2.gz RAXXNJKKFCDLPN-KKUMJFAQSA-N 2 0 295.471 1.952 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cncs2)C1 ZINC001371538982 972542592 /nfs/dbraw/zinc/54/25/92/972542592.db2.gz NJUBAGSBSFDXQH-LBPRGKRZSA-N 2 0 296.440 1.175 10 0 CDAERP C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)C[NH2+]C/C=C\Cl ZINC001495696314 972598983 /nfs/dbraw/zinc/59/89/83/972598983.db2.gz LSWWMGFCJMJECB-LLPBQKLSSA-N 2 0 299.846 1.709 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+]CC1CC1 ZINC001495817499 972649400 /nfs/dbraw/zinc/64/94/00/972649400.db2.gz ZFVTWIVKZKWRHW-GFCCVEGCSA-N 2 0 255.406 1.079 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NCC[C@@H](C)[NH2+]Cc1cscn1 ZINC001371887875 972662726 /nfs/dbraw/zinc/66/27/26/972662726.db2.gz MHGFAHSUJNWHDT-GFCCVEGCSA-N 2 0 298.456 1.468 10 0 CDAERP Cc1ncoc1C[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+](C)C(C)C ZINC001496252644 972858673 /nfs/dbraw/zinc/85/86/73/972858673.db2.gz YQTUKCZQRGJJTN-GFCCVEGCSA-N 2 0 296.415 1.260 10 0 CDAERP CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001496415446 972913844 /nfs/dbraw/zinc/91/38/44/972913844.db2.gz GHFUDUWUBVSYTG-DZGCQCFKSA-N 2 0 292.427 1.969 10 0 CDAERP C[C@H](F)CC[NH2+]CC[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001497204692 973243245 /nfs/dbraw/zinc/24/32/45/973243245.db2.gz FGJSWVNGRFWMIK-STQMWFEESA-N 2 0 287.423 1.703 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C)CC[NH2+]CC1CC1)[NH+](C)C ZINC001497265796 973268358 /nfs/dbraw/zinc/26/83/58/973268358.db2.gz AKSQYZCNAORMLT-YPMHNXCESA-N 2 0 255.406 1.221 10 0 CDAERP C[C@H](CC[NH2+]C/C=C\Cl)NC(=O)C[NH+]1CCCC1 ZINC001497323563 973285098 /nfs/dbraw/zinc/28/50/98/973285098.db2.gz PQXQAYLAEUMTRH-TXNVCOODSA-N 2 0 273.808 1.319 10 0 CDAERP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001417796623 973391918 /nfs/dbraw/zinc/39/19/18/973391918.db2.gz XUQOWOUQLWGMMS-QLFBSQMISA-N 2 0 283.460 1.952 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCC[NH+](CCCF)C1 ZINC001373379227 973402534 /nfs/dbraw/zinc/40/25/34/973402534.db2.gz MAJUYGXKXFANTC-HUUCEWRRSA-N 2 0 299.434 1.801 10 0 CDAERP CC[C@@H](C[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C)OC ZINC001417848335 973414976 /nfs/dbraw/zinc/41/49/76/973414976.db2.gz BGLQBIWWHAOSSE-ILXRZTDVSA-N 2 0 299.459 1.332 10 0 CDAERP CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001497621535 973438697 /nfs/dbraw/zinc/43/86/97/973438697.db2.gz PWQFACYQANIUNP-GXMNPTEKSA-N 2 0 267.417 1.389 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NCC2C[NH+](CC3CCC3)C2)C1 ZINC001373550490 973487707 /nfs/dbraw/zinc/48/77/07/973487707.db2.gz QKYSXDJIWCYZGB-CQSZACIVSA-N 2 0 279.428 1.176 10 0 CDAERP CC(C)OCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001497816636 973533209 /nfs/dbraw/zinc/53/32/09/973533209.db2.gz XHAGXYINXAZMSR-CABCVRRESA-N 2 0 299.459 1.379 10 0 CDAERP CC/C=C/CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001497818551 973536406 /nfs/dbraw/zinc/53/64/06/973536406.db2.gz UOQQQSLENAYMLN-ZQXYTJGRSA-N 2 0 281.444 1.777 10 0 CDAERP C[C@H](C[NH2+]CCF)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001497943973 973583695 /nfs/dbraw/zinc/58/36/95/973583695.db2.gz XXHOOIZKJYWYCI-GFCCVEGCSA-N 2 0 281.375 1.426 10 0 CDAERP Cc1csc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001418216820 973671975 /nfs/dbraw/zinc/67/19/75/973671975.db2.gz UVGXESGNQFVZTL-PWSUYJOCSA-N 2 0 296.440 1.140 10 0 CDAERP Cc1cccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001418218242 973674616 /nfs/dbraw/zinc/67/46/16/973674616.db2.gz YZFVNVWVKJAQBF-ZBFHGGJFSA-N 2 0 289.423 1.684 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)[NH2+]CCF ZINC001418263812 973707971 /nfs/dbraw/zinc/70/79/71/973707971.db2.gz DFSMEHOGQYOIQM-DZGCQCFKSA-N 2 0 299.434 1.847 10 0 CDAERP CCC/C=C\CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001498190684 973734146 /nfs/dbraw/zinc/73/41/46/973734146.db2.gz RLTVDOMXWWPWRX-NHQLZKDQSA-N 2 0 281.444 1.779 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[C@@H](C)[NH2+]CCF)C1 ZINC001418413631 973807863 /nfs/dbraw/zinc/80/78/63/973807863.db2.gz RSMUATLZGWPJLX-ZIAGYGMSSA-N 2 0 287.423 1.562 10 0 CDAERP CCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001498490247 973946015 /nfs/dbraw/zinc/94/60/15/973946015.db2.gz NOLMJRCVTFWHML-ZIAGYGMSSA-N 2 0 269.433 1.613 10 0 CDAERP CC[C@@H](C(=O)N(C)CCC[NH2+]Cc1nccs1)[NH+](C)C ZINC001498614503 973999682 /nfs/dbraw/zinc/99/96/82/973999682.db2.gz ZBWSNVQNEZCWFL-LBPRGKRZSA-N 2 0 298.456 1.421 10 0 CDAERP CC[C@@H](C)C[N@H+](C)CCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001374552791 974016601 /nfs/dbraw/zinc/01/66/01/974016601.db2.gz YAJCHUCKXSGULV-HUUCEWRRSA-N 2 0 283.460 1.765 10 0 CDAERP CCC[N@@H+]1CC[C@H]1CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001499066158 974176827 /nfs/dbraw/zinc/17/68/27/974176827.db2.gz DLNVZTYGSKBBFK-BBRMVZONSA-N 2 0 299.434 1.799 10 0 CDAERP C[NH+](C)CCCCC(=O)NC[C@@H]1CC[N@@H+]1CC1CC1 ZINC001499102349 974186857 /nfs/dbraw/zinc/18/68/57/974186857.db2.gz REHZRUBHFMTXDZ-AWEZNQCLSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)CCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001375090268 974255921 /nfs/dbraw/zinc/25/59/21/974255921.db2.gz RDKIVNZSJXODKB-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001499610657 974274283 /nfs/dbraw/zinc/27/42/83/974274283.db2.gz REILQSBRJLDWME-MRXNPFEDSA-N 2 0 279.428 1.273 10 0 CDAERP CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001375315410 974328767 /nfs/dbraw/zinc/32/87/67/974328767.db2.gz SSCPFEXPRGFCBU-STQMWFEESA-N 2 0 273.396 1.267 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001499920168 974336645 /nfs/dbraw/zinc/33/66/45/974336645.db2.gz ALDVSNARMWWBEI-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001375497390 974406631 /nfs/dbraw/zinc/40/66/31/974406631.db2.gz CSCNUHZBSCRLAJ-UPJWGTAASA-N 2 0 273.396 1.171 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@]1(C)CC[NH+](CC2CC2)C1 ZINC001500228485 974407305 /nfs/dbraw/zinc/40/73/05/974407305.db2.gz WLBZPDYOFNDUID-RDJZCZTQSA-N 2 0 293.455 1.851 10 0 CDAERP CC(C)[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001375508027 974408336 /nfs/dbraw/zinc/40/83/36/974408336.db2.gz ZBINTEBILBNCTE-ZIAGYGMSSA-N 2 0 279.428 1.650 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CCCF)[C@@H]1CC)[NH+](C)C ZINC001375605542 974430442 /nfs/dbraw/zinc/43/04/42/974430442.db2.gz DPIHZXBFZVTIIH-BFHYXJOUSA-N 2 0 287.423 1.655 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[NH+]1CC ZINC001375608087 974434452 /nfs/dbraw/zinc/43/44/52/974434452.db2.gz GRSKGNYHHKTQTQ-JONQDZQNSA-N 2 0 293.455 1.517 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001376154819 974587671 /nfs/dbraw/zinc/58/76/71/974587671.db2.gz HWCFSCDMXIYWMB-LSDHHAIUSA-N 2 0 281.444 1.707 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCF ZINC001376377384 974645088 /nfs/dbraw/zinc/64/50/88/974645088.db2.gz LGFXMIBPQLGNND-BTTYYORXSA-N 2 0 285.407 1.267 10 0 CDAERP CC(C)C[NH2+]C1(CNC(=O)C[N@H+](C)C(C)C)CCC1 ZINC001502029052 974677513 /nfs/dbraw/zinc/67/75/13/974677513.db2.gz KOGAZTCPCHXOSK-UHFFFAOYSA-N 2 0 269.433 1.611 10 0 CDAERP CCC[NH2+][C@@H](C)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001376797142 974772826 /nfs/dbraw/zinc/77/28/26/974772826.db2.gz DQTQFYJIMXJMFW-SWLSCSKDSA-N 2 0 287.423 1.703 10 0 CDAERP C[C@@H](CNC(=O)CCC[NH+](C)C)[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001376803940 974776000 /nfs/dbraw/zinc/77/60/00/974776000.db2.gz NNFRGTKDBBWWSN-UONOGXRCSA-N 2 0 299.459 1.238 10 0 CDAERP CCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001502784499 974783522 /nfs/dbraw/zinc/78/35/22/974783522.db2.gz SSUHQFASKIZICH-CQSZACIVSA-N 2 0 281.444 1.851 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001377363622 974988617 /nfs/dbraw/zinc/98/86/17/974988617.db2.gz YUTMEEBEYPWLAG-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP C[N@H+](CCCF)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001377658444 975103971 /nfs/dbraw/zinc/10/39/71/975103971.db2.gz RBVOJKFKVMXHQH-GJZGRUSLSA-N 2 0 299.434 1.753 10 0 CDAERP CCC[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)c1ccccc1 ZINC001377707259 975116815 /nfs/dbraw/zinc/11/68/15/975116815.db2.gz NHMYSSZUEFEEPF-INIZCTEOSA-N 2 0 289.423 1.939 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C[NH2+]CCF)C1CC1 ZINC001507013845 975295859 /nfs/dbraw/zinc/29/58/59/975295859.db2.gz ZTOMEYRYHWBPOA-HUUCEWRRSA-N 2 0 299.434 1.657 10 0 CDAERP CC[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CCC1CC1 ZINC001378301951 975323088 /nfs/dbraw/zinc/32/30/88/975323088.db2.gz NREKKJLGBAMARG-UKRRQHHQSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]C/C=C/Cl ZINC001378344413 975335448 /nfs/dbraw/zinc/33/54/48/975335448.db2.gz SYYZPDUZTKWDAT-NNNHXZLVSA-N 2 0 275.824 1.564 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001507322855 975416284 /nfs/dbraw/zinc/41/62/84/975416284.db2.gz UMSIQLRQSBZCJD-HIFRSBDPSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]([NH2+]C/C=C\Cl)C2)C1 ZINC001404647290 975447952 /nfs/dbraw/zinc/44/79/52/975447952.db2.gz ZPGCLUYLHLFEKX-VOIRRYAFSA-N 2 0 299.846 1.661 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H]2C[NH+](C(C)C)C[C@H]2C1 ZINC001378787510 975492324 /nfs/dbraw/zinc/49/23/24/975492324.db2.gz RZINYDHDMATVAD-BZUAXINKSA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)CC)CC[N@@H+]1C[C@H](C)OC ZINC001397193453 975495174 /nfs/dbraw/zinc/49/51/74/975495174.db2.gz NLEQTMVIKUAGIZ-SOUVJXGZSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001401306663 975572942 /nfs/dbraw/zinc/57/29/42/975572942.db2.gz DOWZPTJWWGEVGX-CABCVRRESA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CC2)C1 ZINC001388757566 975578067 /nfs/dbraw/zinc/57/80/67/975578067.db2.gz IIJWOVMRYSGEIO-LSDHHAIUSA-N 2 0 281.444 1.611 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCC2CC2)C1 ZINC001379178100 975702908 /nfs/dbraw/zinc/70/29/08/975702908.db2.gz ZFQABACZYJTZPW-JKSUJKDBSA-N 2 0 293.455 1.661 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]C(C)C ZINC001401574855 975706443 /nfs/dbraw/zinc/70/64/43/975706443.db2.gz AWMCVKMFCILWAE-CABCVRRESA-N 2 0 283.460 2.000 10 0 CDAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC1CC1 ZINC001401704518 975815844 /nfs/dbraw/zinc/81/58/44/975815844.db2.gz HGMKIAZCJFABDJ-ZFWWWQNUSA-N 2 0 281.444 1.754 10 0 CDAERP Cc1cnc(C[NH2+]C[C@H](C)CNC(=O)CC[NH+](C)C)s1 ZINC001405694863 975822213 /nfs/dbraw/zinc/82/22/13/975822213.db2.gz DFJVJORXNGFZPD-NSHDSACASA-N 2 0 298.456 1.245 10 0 CDAERP Cc1cccc(C[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C)c1 ZINC001379421297 975835642 /nfs/dbraw/zinc/83/56/42/975835642.db2.gz SQNCFNCLSCFQNG-CQSZACIVSA-N 2 0 277.412 1.541 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001379539065 975913978 /nfs/dbraw/zinc/91/39/78/975913978.db2.gz ZQVZAOMBYFTWBR-XUXIUFHCSA-N 2 0 287.423 1.559 10 0 CDAERP C[C@@H](C[NH2+]Cc1nccs1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001405878036 975920740 /nfs/dbraw/zinc/92/07/40/975920740.db2.gz BHVZMYDQTNIMBF-NWDGAFQWSA-N 2 0 296.440 1.031 10 0 CDAERP CC(C)[NH+](C)CC(=O)N[C@H](C)C[N@H+](C)CC1CCOCC1 ZINC001401815343 975932566 /nfs/dbraw/zinc/93/25/66/975932566.db2.gz CPKSCQDEFSIKSG-CQSZACIVSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)[NH2+]C[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001379918986 976128942 /nfs/dbraw/zinc/12/89/42/976128942.db2.gz OGEOSTPCGHFQAZ-HOTGVXAUSA-N 2 0 295.471 2.000 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001398747285 976136907 /nfs/dbraw/zinc/13/69/07/976136907.db2.gz UECRONRRVNWSTA-LSDHHAIUSA-N 2 0 283.460 1.812 10 0 CDAERP CC(C)OCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001402134574 976139758 /nfs/dbraw/zinc/13/97/58/976139758.db2.gz MSKCBIWRESNXGL-HOCLYGCPSA-N 2 0 297.443 1.086 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H]1CCC[NH+](CC2CC2)C1 ZINC001390160988 976146622 /nfs/dbraw/zinc/14/66/22/976146622.db2.gz MBIQNEYMAJZPDV-GDBMZVCRSA-N 2 0 295.471 1.953 10 0 CDAERP COC[C@@H](C)[N@H+](C)CCN(C(=O)[C@@H]1CCC[NH+]1C)C(C)C ZINC001379997026 976172183 /nfs/dbraw/zinc/17/21/83/976172183.db2.gz CUMCHPLNSBXRGD-CABCVRRESA-N 2 0 299.459 1.284 10 0 CDAERP C[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1CC1CC1)[NH+]1CCCCCC1 ZINC001380018497 976189536 /nfs/dbraw/zinc/18/95/36/976189536.db2.gz XGNLHWZIGAHNOR-HOCLYGCPSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@H](F)CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001380068924 976228344 /nfs/dbraw/zinc/22/83/44/976228344.db2.gz VYTDKHQFAQWKCK-NWDGAFQWSA-N 2 0 271.380 1.067 10 0 CDAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC1CCC1 ZINC001398929758 976250810 /nfs/dbraw/zinc/25/08/10/976250810.db2.gz UPARUIMWADCJPM-UKRRQHHQSA-N 2 0 281.444 1.754 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001402504080 976323265 /nfs/dbraw/zinc/32/32/65/976323265.db2.gz CTODOILXDRAIAZ-YTFOTSKYSA-N 2 0 299.434 1.702 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]CC1CC1)C1CCCC1 ZINC001380322669 976346766 /nfs/dbraw/zinc/34/67/66/976346766.db2.gz JVMVCWIPZJLXBV-HNNXBMFYSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001390759741 976488440 /nfs/dbraw/zinc/48/84/40/976488440.db2.gz XOAPTGYTDRGTAE-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)C[C@H](C)CC ZINC001399489377 976523037 /nfs/dbraw/zinc/52/30/37/976523037.db2.gz RLDGDGNPYIGVMB-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001390860633 976566040 /nfs/dbraw/zinc/56/60/40/976566040.db2.gz YBTUQWLCWCWQEB-CQSZACIVSA-N 2 0 287.423 1.659 10 0 CDAERP CCC[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CCC1 ZINC001380874553 976589675 /nfs/dbraw/zinc/58/96/75/976589675.db2.gz ZFDKYVCRAWSFAZ-UHFFFAOYSA-N 2 0 281.444 1.899 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@]1(C)CCC[N@H+](CC2CC2)C1 ZINC001407309717 976635709 /nfs/dbraw/zinc/63/57/09/976635709.db2.gz WZRAVXPFXXVYBR-MRXNPFEDSA-N 2 0 281.444 1.566 10 0 CDAERP CC[NH2+][C@H](CNC(=O)CC[NH+](C)C)c1ccccc1CC ZINC001407510109 976685010 /nfs/dbraw/zinc/68/50/10/976685010.db2.gz KICJPCWQWFEZBW-MRXNPFEDSA-N 2 0 291.439 1.968 10 0 CDAERP C[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cncs1 ZINC001381201783 976717831 /nfs/dbraw/zinc/71/78/31/976717831.db2.gz QPPNYWQKACMPHZ-WCQYABFASA-N 2 0 296.440 1.222 10 0 CDAERP Cc1ncsc1C[NH2+][C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001403128131 976746042 /nfs/dbraw/zinc/74/60/42/976746042.db2.gz BKUDJKBCTPQCHV-NSHDSACASA-N 2 0 296.440 1.142 10 0 CDAERP CC(C)[NH2+]CCc1ccc(CNC(=O)CC[NH+](C)C)cc1 ZINC001403274650 976846495 /nfs/dbraw/zinc/84/64/95/976846495.db2.gz PGEPGIUFAGZHFW-UHFFFAOYSA-N 2 0 291.439 1.795 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CCF)CC1 ZINC001408115371 976924361 /nfs/dbraw/zinc/92/43/61/976924361.db2.gz QHCAKPOILDMWFC-AWEZNQCLSA-N 2 0 299.434 1.801 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1C[NH+](CC2CCC2)C1 ZINC001391521812 976931080 /nfs/dbraw/zinc/93/10/80/976931080.db2.gz FJTOYEDOAPZZGQ-OKILXGFUSA-N 2 0 293.455 1.707 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001400288853 976967384 /nfs/dbraw/zinc/96/73/84/976967384.db2.gz JPMOQWKVIKCBHX-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP CC[N@H+](C)CCC(=O)NC1C[NH+](CC2CCC(C)CC2)C1 ZINC001400405971 977027675 /nfs/dbraw/zinc/02/76/75/977027675.db2.gz CYXXNZALQBSPIH-UHFFFAOYSA-N 2 0 295.471 1.955 10 0 CDAERP CO[C@H](C)C[N@@H+]1C[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001381868364 977060463 /nfs/dbraw/zinc/06/04/63/977060463.db2.gz FMJUWFOWCNFEQM-KGLIPLIRSA-N 2 0 299.459 1.190 10 0 CDAERP COC[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001381963630 977102009 /nfs/dbraw/zinc/10/20/09/977102009.db2.gz SRRYZQAUKLSDBR-AJNGGQMLSA-N 2 0 299.459 1.092 10 0 CDAERP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CCc1ccns1 ZINC001382117419 977171615 /nfs/dbraw/zinc/17/16/15/977171615.db2.gz SYXAGNBSWWATNG-GFCCVEGCSA-N 2 0 298.456 1.074 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1cnc(C)o1 ZINC001382157221 977193461 /nfs/dbraw/zinc/19/34/61/977193461.db2.gz HRDXEQXWBZFGNX-LBPRGKRZSA-N 2 0 296.415 1.261 10 0 CDAERP CC(C)[C@H](C(=O)N(C)C[C@H](C)[NH2+]CCF)[NH+]1CCCC1 ZINC001382170728 977201217 /nfs/dbraw/zinc/20/12/17/977201217.db2.gz ZDPCFYYLWAAXNE-UONOGXRCSA-N 2 0 287.423 1.513 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@@H](C)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001392072583 977209799 /nfs/dbraw/zinc/20/97/99/977209799.db2.gz LQOLRWOMQOIZMS-UONOGXRCSA-N 2 0 283.460 1.953 10 0 CDAERP CO[C@@H](C)C[NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCCC1 ZINC001400974017 977258053 /nfs/dbraw/zinc/25/80/53/977258053.db2.gz QXCAUYYILDAHSR-AWEZNQCLSA-N 2 0 297.443 1.136 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]1CC[N@H+](CC2CC2)C1)[NH+](CC)CC ZINC001404099693 977336888 /nfs/dbraw/zinc/33/68/88/977336888.db2.gz VLROMFSHUFODIU-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC1CCC1 ZINC001392478852 977457165 /nfs/dbraw/zinc/45/71/65/977457165.db2.gz BPBSSHPXSUFBIK-HIFRSBDPSA-N 2 0 281.444 1.754 10 0 CDAERP CC(C)CC[N@H+](C)[C@@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001394139281 978087608 /nfs/dbraw/zinc/08/76/08/978087608.db2.gz MLIHMJHTCYIELV-AWEZNQCLSA-N 2 0 271.449 1.809 10 0 CDAERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1C[NH+](CC2CC2)C1 ZINC001394243950 978114601 /nfs/dbraw/zinc/11/46/01/978114601.db2.gz MAXYGYOEUGGTQH-CYBMUJFWSA-N 2 0 293.455 1.707 10 0 CDAERP C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1C[NH+](CC2CC2)C1 ZINC001394253124 978117646 /nfs/dbraw/zinc/11/76/46/978117646.db2.gz TZTGFSKSTAUNCO-STQMWFEESA-N 2 0 279.428 1.175 10 0 CDAERP COC[C@H](C)[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001394501182 978186484 /nfs/dbraw/zinc/18/64/84/978186484.db2.gz IPNUXPAJVQFFLQ-KGLIPLIRSA-N 2 0 299.459 1.332 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC2CCC2)C1 ZINC001394702836 978236020 /nfs/dbraw/zinc/23/60/20/978236020.db2.gz BOJYTZPFOPCODO-HUUCEWRRSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001675827284 1174152751 /nfs/dbraw/zinc/15/27/51/1174152751.db2.gz FOJSHTIFLSZZIJ-MGPQQGTHSA-N 2 0 285.407 1.315 10 0 CDAERP C[C@@H](CCC[NH2+]CC1CCC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001675869337 1174158419 /nfs/dbraw/zinc/15/84/19/1174158419.db2.gz RGVHXFALLPVSNJ-ZFWWWQNUSA-N 2 0 281.444 1.755 10 0 CDAERP CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001676351812 1174212416 /nfs/dbraw/zinc/21/24/16/1174212416.db2.gz WWOFJBBTVWPFIH-OCCSQVGLSA-N 2 0 267.417 1.175 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001676413332 1174223721 /nfs/dbraw/zinc/22/37/21/1174223721.db2.gz LEWJGRQHNZCHKK-ZDUSSCGKSA-N 2 0 257.422 1.421 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)C2([NH+](C)C)CCCC2)C1 ZINC001597025483 1174254225 /nfs/dbraw/zinc/25/42/25/1174254225.db2.gz OHLWYSARWMTIMB-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)=CC[NH2+]CCC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001571321942 1170365203 /nfs/dbraw/zinc/36/52/03/1170365203.db2.gz FEEQZRJHYDNFOW-HNNXBMFYSA-N 2 0 293.455 1.923 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000426985459 282080703 /nfs/dbraw/zinc/08/07/03/282080703.db2.gz FSXVNHNQXYZROO-ZBCRRDGASA-N 2 0 293.455 1.850 10 0 CDAERP CC[C@H](C)[NH2+]C[C@H](O)CO[C@@H]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000675078834 539085640 /nfs/dbraw/zinc/08/56/40/539085640.db2.gz AAJVCFFDIGNBKY-LXFSFDBISA-N 2 0 270.417 1.283 10 0 CDAERP CC(C)[C@H](Cn1cccn1)[NH2+]CCC1(C[NH3+])CC1 ZINC000650746875 398173822 /nfs/dbraw/zinc/17/38/22/398173822.db2.gz MPZFXJQHMVSWHM-ZDUSSCGKSA-N 2 0 250.390 1.626 10 0 CDAERP Cc1ccc2[nH+]ccc(NCC[N@@H+]3CC[C@H](O)C3)c2c1 ZINC000624773338 342014389 /nfs/dbraw/zinc/01/43/89/342014389.db2.gz HPPZMWUNOVZZOW-ZDUSSCGKSA-N 2 0 271.364 1.444 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H]1CCC[NH+](C)C1 ZINC000634142432 361769202 /nfs/dbraw/zinc/76/92/02/361769202.db2.gz FHPQKSAMPHDCMH-KBPBESRZSA-N 2 0 284.448 1.500 10 0 CDAERP Cc1ccc(CCC[N@@H+]2CCN3CCOC[C@@H]3C2)cn1 ZINC000354650557 365605979 /nfs/dbraw/zinc/60/59/79/365605979.db2.gz BEKVCFKHRUQECK-INIZCTEOSA-N 2 0 275.396 1.339 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000087619337 282118842 /nfs/dbraw/zinc/11/88/42/282118842.db2.gz HACQYGLMEYUKOY-GOEBONIOSA-N 2 0 287.407 1.426 10 0 CDAERP CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)[NH+](C)C ZINC000617011306 342606346 /nfs/dbraw/zinc/60/63/46/342606346.db2.gz BOXJXXPJVZICIB-STQMWFEESA-N 2 0 269.433 1.562 10 0 CDAERP [NH3+]C[C@H]1C[NH2+]C[C@H]1c1ccc(Br)cc1 ZINC000096884134 185119148 /nfs/dbraw/zinc/11/91/48/185119148.db2.gz RRSSAPMNUPUMLS-ONGXEEELSA-N 2 0 255.159 1.711 10 0 CDAERP COc1ncncc1C[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000592368046 342686386 /nfs/dbraw/zinc/68/63/86/342686386.db2.gz BFERADMCIWAFGM-UHFFFAOYSA-N 2 0 296.440 1.402 10 0 CDAERP CN1CCO[C@H](CSCCC[NH+]2CCCC2)C1 ZINC000592359006 342688616 /nfs/dbraw/zinc/68/86/16/342688616.db2.gz KCQWOZQWHQLCTN-ZDUSSCGKSA-N 2 0 258.431 1.536 10 0 CDAERP CC(C)(C)CC(=O)N1CCC([NH2+]CCOCCC[NH3+])CC1 ZINC000629398589 361931371 /nfs/dbraw/zinc/93/13/71/361931371.db2.gz FPIBWRPPULODHN-UHFFFAOYSA-N 2 0 299.459 1.369 10 0 CDAERP C[C@@H](CC[NH+](C)C)NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000440843124 361936021 /nfs/dbraw/zinc/93/60/21/361936021.db2.gz MJLMUAQKEMAUJU-NFOMZHRRSA-N 2 0 298.475 1.746 10 0 CDAERP COC(=O)C1CCC([NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000600770152 342248326 /nfs/dbraw/zinc/24/83/26/342248326.db2.gz VUXBJIRZXCDVQS-BPCQOVAHSA-N 2 0 266.385 1.592 10 0 CDAERP C[NH2+]CCC1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000262062346 290642641 /nfs/dbraw/zinc/64/26/41/290642641.db2.gz OBNRHPOPBNEGID-JYJNAYRXSA-N 2 0 293.455 1.755 10 0 CDAERP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000353513866 539098166 /nfs/dbraw/zinc/09/81/66/539098166.db2.gz FRNVGHXKUWXXDW-OWCLPIDISA-N 2 0 267.461 1.894 10 0 CDAERP C[NH2+]C(C)(C)CNC(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000625942203 342280853 /nfs/dbraw/zinc/28/08/53/342280853.db2.gz SWPXPQXBBMOSFN-UHFFFAOYSA-N 2 0 292.383 1.288 10 0 CDAERP C[C@H]1C[C@]2(C[NH+]=C(N)N2Cc2ccccc2)C[N@@H+]1C ZINC000127982762 342296160 /nfs/dbraw/zinc/29/61/60/342296160.db2.gz OYUCOVVVIPXYLP-WFASDCNBSA-N 2 0 258.369 1.280 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CCC[N@H+](C)C(C)C ZINC000594915000 342984817 /nfs/dbraw/zinc/98/48/17/342984817.db2.gz OGLKXMHXLUUVLN-YNEHKIRRSA-N 2 0 256.390 1.504 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CCC1CC[NH+](C)CC1 ZINC000594920082 342986895 /nfs/dbraw/zinc/98/68/95/342986895.db2.gz MUSZBQNWWJNSJI-MRVWCRGKSA-N 2 0 268.401 1.506 10 0 CDAERP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)CSCCF ZINC000595032923 342997499 /nfs/dbraw/zinc/99/74/99/342997499.db2.gz NEUIFKOXOQZNES-KBPBESRZSA-N 2 0 291.480 1.693 10 0 CDAERP CCOC(=O)[C@H]1CCCN1Cc1cccc2c1CC[NH2+]C2 ZINC000595894197 343182871 /nfs/dbraw/zinc/18/28/71/343182871.db2.gz VKYOPYWFKNRCOC-MRXNPFEDSA-N 2 0 288.391 1.860 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000629529408 362157266 /nfs/dbraw/zinc/15/72/66/362157266.db2.gz BSKBSETVLNZYMR-UPJWGTAASA-N 2 0 256.390 1.016 10 0 CDAERP [NH3+]CC[C@H]1CCC[N@H+](CCOC2CCOCC2)C1 ZINC000629529991 362162024 /nfs/dbraw/zinc/16/20/24/362162024.db2.gz SHQVAXUQNSZESF-CYBMUJFWSA-N 2 0 256.390 1.243 10 0 CDAERP Cc1cc(C)n(CCN2[C@@H](C)[C@@H](C)CC[C@H]2C[NH3+])n1 ZINC000316110785 362209558 /nfs/dbraw/zinc/20/95/58/362209558.db2.gz OHEQFODMMLFUNS-CQDKDKBSSA-N 2 0 264.417 1.948 10 0 CDAERP C[C@@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)Cc1ccccc1 ZINC000273170242 192064923 /nfs/dbraw/zinc/06/49/23/192064923.db2.gz DVHSPDVJRSXQCA-NVXWUHKLSA-N 2 0 276.424 1.912 10 0 CDAERP O=C(NCC1CC[NH2+]CC1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000246235956 343956584 /nfs/dbraw/zinc/95/65/84/343956584.db2.gz FVGKOZKJLXOSSX-IHRRRGAJSA-N 2 0 265.401 1.023 10 0 CDAERP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)[C@@H]1CCCCO1 ZINC000623888046 345591315 /nfs/dbraw/zinc/59/13/15/345591315.db2.gz VOKZFVXCSNXZQK-RDJZCZTQSA-N 2 0 297.487 1.807 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079512214 362644082 /nfs/dbraw/zinc/64/40/82/362644082.db2.gz ZOGOBMSUWHQJPJ-TZMCWYRMSA-N 2 0 253.390 1.119 10 0 CDAERP CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000617551151 345844123 /nfs/dbraw/zinc/84/41/23/345844123.db2.gz MJNDOQHAMVBBHX-MELADBBJSA-N 2 0 267.417 1.269 10 0 CDAERP c1cc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000623754159 345980342 /nfs/dbraw/zinc/98/03/42/345980342.db2.gz KHIDAHYTLLIOHU-CZUORRHYSA-N 2 0 284.363 1.924 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCC(=O)NC2CC2)CC1(C)C ZINC000623358935 346087029 /nfs/dbraw/zinc/08/70/29/346087029.db2.gz ZVHQRNSEMCEDKZ-ZDUSSCGKSA-N 2 0 267.417 1.508 10 0 CDAERP C[C@H](Cn1cncn1)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623382559 346117296 /nfs/dbraw/zinc/11/72/96/346117296.db2.gz KSDDVBUJCDZGCF-VXGBXAGGSA-N 2 0 251.378 1.129 10 0 CDAERP COCC[N@@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000623398779 346155579 /nfs/dbraw/zinc/15/55/79/346155579.db2.gz OPBFFBAIQDZDFM-HUUCEWRRSA-N 2 0 283.460 1.560 10 0 CDAERP C[C@H](C[C@@](C)(O)C[NH3+])[N@H+](C)CCc1ccncc1 ZINC000085300454 179010468 /nfs/dbraw/zinc/01/04/68/179010468.db2.gz VYPJWQWTRZKBCL-TZMCWYRMSA-N 2 0 251.374 1.044 10 0 CDAERP C[C@@](O)(C[NH3+])CCC[N@@H+]1CCCc2ccccc2C1 ZINC000085302863 179011226 /nfs/dbraw/zinc/01/12/26/179011226.db2.gz BZLYJQWFAOSNDZ-INIZCTEOSA-N 2 0 262.397 1.925 10 0 CDAERP C[C@@H](C[C@@](C)(O)C[NH3+])[N@H+](C)CCc1ccccn1 ZINC000085304013 179011421 /nfs/dbraw/zinc/01/14/21/179011421.db2.gz UVTSQADDQAYYTF-GXTWGEPZSA-N 2 0 251.374 1.044 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000085365098 179036044 /nfs/dbraw/zinc/03/60/44/179036044.db2.gz UHZJXGLZQWGLIK-IACUBPJLSA-N 2 0 265.401 1.104 10 0 CDAERP C[NH+](C)CCN(Cc1cccnc1)C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000085369380 179039186 /nfs/dbraw/zinc/03/91/86/179039186.db2.gz QDHDVONVPQKESZ-HUUCEWRRSA-N 2 0 290.411 1.099 10 0 CDAERP CN(C)c1ccncc1C[NH2+]C[C@H]1CCCCN1CCO ZINC000449396010 362691071 /nfs/dbraw/zinc/69/10/71/362691071.db2.gz RAYREGVLAADXDU-OAHLLOKOSA-N 2 0 292.427 1.084 10 0 CDAERP C[C@H](Cc1ccoc1)[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000449396219 362691123 /nfs/dbraw/zinc/69/11/23/362691123.db2.gz KSYBHIZFJFMIHA-UKRRQHHQSA-N 2 0 266.385 1.647 10 0 CDAERP C[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000085371886 179041612 /nfs/dbraw/zinc/04/16/12/179041612.db2.gz MDZTVXOIGXZPEF-LSDHHAIUSA-N 2 0 275.396 1.492 10 0 CDAERP OCCOCC[N@@H+]1CCCCC[C@H]1C1CC[NH2+]CC1 ZINC000085403694 179053371 /nfs/dbraw/zinc/05/33/71/179053371.db2.gz FBVYEWJPAZARSN-HNNXBMFYSA-N 2 0 270.417 1.240 10 0 CDAERP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)C1C[NH2+]C1 ZINC000263296840 362714168 /nfs/dbraw/zinc/71/41/68/362714168.db2.gz MLIJVXFSUWUWLF-GFCCVEGCSA-N 2 0 279.409 1.221 10 0 CDAERP C[C@H](CC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)CC(C)(C)C ZINC000584775212 346429685 /nfs/dbraw/zinc/42/96/85/346429685.db2.gz BLXMXBAYRLJENC-HZPDHXFCSA-N 2 0 299.503 1.647 10 0 CDAERP C[N@@H+]1CC[C@H](Cn2c3c(nc2C(F)(F)F)C[NH2+]CC3)C1 ZINC000085570464 179096463 /nfs/dbraw/zinc/09/64/63/179096463.db2.gz XXRQGCOBYPYWLP-VIFPVBQESA-N 2 0 288.317 1.499 10 0 CDAERP COCCOCC[N@@H+]1C[C@](C)(C2CC2)[NH2+]CC[C@@H]1C ZINC000085623799 179107098 /nfs/dbraw/zinc/10/70/98/179107098.db2.gz MMJBPEKUXCSRMI-DZGCQCFKSA-N 2 0 270.417 1.502 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1CCc2nc[nH]c2C1 ZINC000612304045 347105543 /nfs/dbraw/zinc/10/55/43/347105543.db2.gz LEFFJKRKTUNKPO-HFAKWTLXSA-N 2 0 288.395 1.114 10 0 CDAERP CN(C(=O)N[C@H]1CC12CC[NH2+]CC2)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000612968767 347347393 /nfs/dbraw/zinc/34/73/93/347347393.db2.gz BMEXGACDNTVWJQ-KBPBESRZSA-N 2 0 292.427 1.007 10 0 CDAERP C[C@H]1C[NH2+]CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000306635885 362836094 /nfs/dbraw/zinc/83/60/94/362836094.db2.gz LNSZDSDSGMOZPM-DOTOQJQBSA-N 2 0 273.424 1.802 10 0 CDAERP CC[C@@H](C)[C@@H]1CN([C@@H]2CC[N@@H+](C3CC3)C2)CC[NH2+]1 ZINC000086145964 179238305 /nfs/dbraw/zinc/23/83/05/179238305.db2.gz ZNHKJGYQGKCYAH-YUELXQCFSA-N 2 0 251.418 1.543 10 0 CDAERP CC[C@H]1CN[C@H](C)C[N@@H+]1CC1CC[NH+](CC)CC1 ZINC000086173686 179244706 /nfs/dbraw/zinc/24/47/06/179244706.db2.gz KFNUGFDBISIHKJ-HIFRSBDPSA-N 2 0 253.434 1.791 10 0 CDAERP CC[C@@H]1C[NH2+][C@H](C(C)C)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086173827 179244752 /nfs/dbraw/zinc/24/47/52/179244752.db2.gz QAXYQKLBUMHCNA-BMFZPTHFSA-N 2 0 265.445 1.932 10 0 CDAERP CC(C)[C@@H]1C[NH2+][C@@H](C2CC2)CN1C1CC[NH+](C)CC1 ZINC000086217817 179249906 /nfs/dbraw/zinc/24/99/06/179249906.db2.gz XXRHPGJMJHMJCL-CVEARBPZSA-N 2 0 265.445 1.789 10 0 CDAERP CC(C)C[C@@H]1CN(C[C@@H]2CC[N@H+](C)C2)[C@@H](C)C[NH2+]1 ZINC000086223139 179252329 /nfs/dbraw/zinc/25/23/29/179252329.db2.gz VJOLYGGPFIIVDT-RRFJBIMHSA-N 2 0 253.434 1.647 10 0 CDAERP CC[C@@H]1CN[C@@H](C2CC2)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086259048 179256757 /nfs/dbraw/zinc/25/67/57/179256757.db2.gz IAKLFMCFKFZGNO-HZPDHXFCSA-N 2 0 265.445 1.791 10 0 CDAERP C[C@H](N[C@H]1CC[N@H+](C)C(C)(C)C1)c1nccn1C ZINC000623574067 347639929 /nfs/dbraw/zinc/63/99/29/347639929.db2.gz CWRUPMVWUWZKAE-RYUDHWBXSA-N 2 0 250.390 1.944 10 0 CDAERP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc(C[NH+](C)C)nc1 ZINC000615302187 348429473 /nfs/dbraw/zinc/42/94/73/348429473.db2.gz BYTZXVFINUAKSB-IUODEOHRSA-N 2 0 290.411 1.308 10 0 CDAERP COC1([C@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)CCOCC1 ZINC000414192574 362927866 /nfs/dbraw/zinc/92/78/66/362927866.db2.gz SLLNLSRPJKFZJT-GJZGRUSLSA-N 2 0 284.444 1.892 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000042247143 348720921 /nfs/dbraw/zinc/72/09/21/348720921.db2.gz JOMJODYMZZNXQU-OKILXGFUSA-N 2 0 293.455 1.707 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000104214805 185933616 /nfs/dbraw/zinc/93/36/16/185933616.db2.gz MTYLFIGYULXRQO-DGCLKSJQSA-N 2 0 267.417 1.221 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1C ZINC000631468857 362943924 /nfs/dbraw/zinc/94/39/24/362943924.db2.gz NVXZSFUWFRAWPX-LJISPDSOSA-N 2 0 281.444 1.658 10 0 CDAERP COc1ccc(OC)c([C@H](C)[NH2+]CCOCCC[NH3+])c1 ZINC000629537154 362952475 /nfs/dbraw/zinc/95/24/75/362952475.db2.gz HPYQYNCXAJQEGH-LBPRGKRZSA-N 2 0 282.384 1.720 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000629545699 362971026 /nfs/dbraw/zinc/97/10/26/362971026.db2.gz MMBAQHKXVBHSAL-GUSZCTEKSA-N 2 0 287.407 1.582 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000641937763 365982415 /nfs/dbraw/zinc/98/24/15/365982415.db2.gz HDMPHKPFDCPLIU-PWNZVWSESA-N 2 0 294.443 1.380 10 0 CDAERP O=C(CC[C@@H]1CCC[NH2+]C1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000621642151 350687350 /nfs/dbraw/zinc/68/73/50/350687350.db2.gz GFICPNARPSRQNE-HRCADAONSA-N 2 0 293.455 1.757 10 0 CDAERP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621698903 350728251 /nfs/dbraw/zinc/72/82/51/350728251.db2.gz ILOZLZBXKUPLCQ-IAQYHMDHSA-N 2 0 274.368 1.101 10 0 CDAERP CO[C@@H]1CC[C@@H]2OCC[N@H+](C[C@@H]3CC[NH2+][C@H](C)C3)[C@@H]2C1 ZINC000414711414 366013682 /nfs/dbraw/zinc/01/36/82/366013682.db2.gz RJVYARWLRMXPFP-QCODTGAPSA-N 2 0 282.428 1.643 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)CCN(C)c1ccccc1 ZINC000629570114 363016458 /nfs/dbraw/zinc/01/64/58/363016458.db2.gz IDLJBTGPSXOKCO-UHFFFAOYSA-N 2 0 265.401 1.291 10 0 CDAERP CC(C)N1CCC[C@@H]([N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1=O ZINC000629585610 363053665 /nfs/dbraw/zinc/05/36/65/363053665.db2.gz YGLCNUFQWTZARL-BMFZPTHFSA-N 2 0 279.428 1.317 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CC[C@H]1CCCCO1)C2 ZINC000629592418 363103311 /nfs/dbraw/zinc/10/33/11/363103311.db2.gz CKKKOCAKNOSHSR-KFWWJZLASA-N 2 0 252.402 1.877 10 0 CDAERP Cc1nc(N)nc(N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000396434199 366098058 /nfs/dbraw/zinc/09/80/58/366098058.db2.gz KCNSPENTHQWXTP-LBPRGKRZSA-N 2 0 298.394 1.303 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1cnc2cccc(C)n12 ZINC000629652665 363252001 /nfs/dbraw/zinc/25/20/01/363252001.db2.gz BSJXGGVWMVOGEF-UHFFFAOYSA-N 2 0 276.384 1.311 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1C ZINC000631487566 363353632 /nfs/dbraw/zinc/35/36/32/363353632.db2.gz KLGTYTVLDYVCOE-XDQVBPFNSA-N 2 0 267.417 1.316 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000572640012 363436119 /nfs/dbraw/zinc/43/61/19/363436119.db2.gz PNKWVYJHNYBEBC-RDBSUJKOSA-N 2 0 267.417 1.365 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C[NH3+])C2)[C@H]2CCC[C@@H]21 ZINC000423494001 283141315 /nfs/dbraw/zinc/14/13/15/283141315.db2.gz CKWMOBIDULUCEX-QRTUWBSPSA-N 3 0 251.418 1.576 10 0 CDAERP CC(C)c1ccc(C[NH2+]CCC[NH2+]CCO)cc1 ZINC000013732716 356355348 /nfs/dbraw/zinc/35/53/48/356355348.db2.gz HCTJUOQFTDGHFM-UHFFFAOYSA-N 2 0 250.386 1.872 10 0 CDAERP C[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)Cc1cncs1 ZINC001660395173 1172209790 /nfs/dbraw/zinc/20/97/90/1172209790.db2.gz BBCDFUIZMLRSTA-LBPRGKRZSA-N 2 0 296.440 1.033 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000341054029 366344491 /nfs/dbraw/zinc/34/44/91/366344491.db2.gz KFCYOTCLTDMXPG-RRFJBIMHSA-N 2 0 298.475 1.841 10 0 CDAERP CC[NH+](CC)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C[NH3+] ZINC000058041239 357375371 /nfs/dbraw/zinc/37/53/71/357375371.db2.gz XYPBNUADZAVHOL-NWDGAFQWSA-N 2 0 271.405 1.522 10 0 CDAERP O[C@H]1CCC[C@H]1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000089159247 357483874 /nfs/dbraw/zinc/48/38/74/357483874.db2.gz XGRFSEGGYJTCQG-BBRMVZONSA-N 2 0 275.396 1.801 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000357913412 283333682 /nfs/dbraw/zinc/33/36/82/283333682.db2.gz NFMPQJRQLJZCAL-MGPQQGTHSA-N 2 0 299.484 1.365 10 0 CDAERP Cc1cc(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)ccn1 ZINC000367667730 358175290 /nfs/dbraw/zinc/17/52/90/358175290.db2.gz CZKLMJAGYFUVBQ-HNNXBMFYSA-N 2 0 279.359 1.963 10 0 CDAERP C[C@@H](CC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)C1CC[NH2+]CC1 ZINC000634750349 358235406 /nfs/dbraw/zinc/23/54/06/358235406.db2.gz UXPBBHYVJNYZBL-RRQGHBQHSA-N 2 0 293.455 1.470 10 0 CDAERP COC(=O)[C@]12C[N@H+](Cc3ccccc3)C[C@@H]1CN(C)CC2 ZINC000098108645 358813826 /nfs/dbraw/zinc/81/38/26/358813826.db2.gz AICAWMVPASBRSQ-DOTOQJQBSA-N 2 0 288.391 1.613 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000644841537 358984553 /nfs/dbraw/zinc/98/45/53/358984553.db2.gz QKMYXVURHBZKGP-RHSMWYFYSA-N 2 0 297.406 1.712 10 0 CDAERP CC[NH+](CC)CCN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000119642405 358999859 /nfs/dbraw/zinc/99/98/59/358999859.db2.gz KUSLEOHKXMMUCU-QGZVFWFLSA-N 2 0 296.503 1.430 10 0 CDAERP CCc1cnc(N2CC[NH+](CC3CC[NH2+]CC3)CC2)s1 ZINC000261879078 359074785 /nfs/dbraw/zinc/07/47/85/359074785.db2.gz YITAPYZVBRYABX-UHFFFAOYSA-N 2 0 294.468 1.827 10 0 CDAERP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000261927221 359092517 /nfs/dbraw/zinc/09/25/17/359092517.db2.gz LGSPMEKNMMVWHL-MNLARUNXSA-N 2 0 293.455 1.216 10 0 CDAERP C[C@]1(CN2CC[C@@H](C[NH+]3CCCCC3)C2)CC[NH2+]C1 ZINC000261991571 359116506 /nfs/dbraw/zinc/11/65/06/359116506.db2.gz KGXALFPGVXEFLL-HOTGVXAUSA-N 2 0 265.445 1.794 10 0 CDAERP [NH3+]C[C@H]1c2ccccc2CCN1CC[C@H]1CC[NH2+]C1 ZINC000566245916 359060865 /nfs/dbraw/zinc/06/08/65/359060865.db2.gz ZDYMYPZJTVBACV-CJNGLKHVSA-N 2 0 259.397 1.544 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)N[C@H](C)C[NH+](C)C)CC1 ZINC000358512053 359156174 /nfs/dbraw/zinc/15/61/74/359156174.db2.gz XZGZLPPQCWQOLY-CQSZACIVSA-N 2 0 298.475 1.700 10 0 CDAERP CC[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000251731645 140313352 /nfs/dbraw/zinc/31/33/52/140313352.db2.gz FOTNEYRVDPMQCH-BFHYXJOUSA-N 2 0 267.417 1.365 10 0 CDAERP COc1ccccc1OCC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000572392059 359267726 /nfs/dbraw/zinc/26/77/26/359267726.db2.gz GMKPCNHCRBIWGA-ZDUSSCGKSA-N 2 0 264.369 1.806 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000572423910 359377336 /nfs/dbraw/zinc/37/73/36/359377336.db2.gz RFQOVEYDGVEWGQ-LSDHHAIUSA-N 3 0 253.434 1.968 10 0 CDAERP CC1CC[NH+](CC(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000365441406 359439245 /nfs/dbraw/zinc/43/92/45/359439245.db2.gz XOKZNFHFTXMTGB-UHFFFAOYSA-N 2 0 293.455 1.851 10 0 CDAERP O=C1CCCN1CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422770235 359656776 /nfs/dbraw/zinc/65/67/76/359656776.db2.gz PXHYWBCGNGOJMQ-HRCADAONSA-N 2 0 293.455 1.899 10 0 CDAERP CC[NH+]1CCCC[C@H]1CNC(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000111836785 359670232 /nfs/dbraw/zinc/67/02/32/359670232.db2.gz RXHUKYLESLBRHH-GJZGRUSLSA-N 2 0 296.459 1.644 10 0 CDAERP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]CCC[NH3+] ZINC000423183861 359756712 /nfs/dbraw/zinc/75/67/12/359756712.db2.gz IBVFDKAVSVLYOC-MRXNPFEDSA-N 2 0 277.412 1.307 10 0 CDAERP COC[C@]1(C[NH2+][C@H]2CC[C@@H]2C2CCC2)CCC[NH2+]1 ZINC000423417688 359776974 /nfs/dbraw/zinc/77/69/74/359776974.db2.gz SRWJAMHGFIKGQC-QLFBSQMISA-N 2 0 252.402 1.923 10 0 CDAERP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1cnccc1N ZINC000423420056 359778786 /nfs/dbraw/zinc/77/87/86/359778786.db2.gz JIGKMDBNSPCWDG-AVGNSLFASA-N 2 0 262.401 1.910 10 0 CDAERP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000423446530 359793788 /nfs/dbraw/zinc/79/37/88/359793788.db2.gz OHBAUDPEGGNPQY-FRRDWIJNSA-N 2 0 263.385 1.753 10 0 CDAERP COC[C@@H](CCC[NH3+])NCC[NH2+]C1CCCCCC1 ZINC000423287272 359761609 /nfs/dbraw/zinc/76/16/09/359761609.db2.gz LESAYTIFKPDXQF-OAHLLOKOSA-N 2 0 271.449 1.642 10 0 CDAERP C[C@@H](N[C@H]1C[NH2+]CCC1(F)F)c1c[nH+]ccc1N ZINC000423486923 359815613 /nfs/dbraw/zinc/81/56/13/359815613.db2.gz SZEIIBUSNWGXMP-KCJUWKMLSA-N 2 0 256.300 1.142 10 0 CDAERP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)C1CC1 ZINC000423512598 359833617 /nfs/dbraw/zinc/83/36/17/359833617.db2.gz OVQNTBARDUMRAU-GRTSSRMGSA-N 2 0 251.418 1.591 10 0 CDAERP CN1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1=O ZINC000424371544 360024841 /nfs/dbraw/zinc/02/48/41/360024841.db2.gz FYJQJFVCHMCJFG-XUWVNRHRSA-N 2 0 293.455 1.755 10 0 CDAERP [NH3+]C1(CC(=O)NC2CC2)CCN(Cc2ccccc2)CC1 ZINC000637872006 366680166 /nfs/dbraw/zinc/68/01/66/366680166.db2.gz CRVWGKDRRFKMDO-UHFFFAOYSA-N 2 0 287.407 1.649 10 0 CDAERP [NH3+]C[C@@H]1c2ccccc2CCN1C[C@H]1CCC[NH2+]C1 ZINC000335448090 360194472 /nfs/dbraw/zinc/19/44/72/360194472.db2.gz METJFUMHQIUPAM-XJKSGUPXSA-N 2 0 259.397 1.544 10 0 CDAERP C[NH+]1CCN(CCC[NH2+]C[C@@]2(C)CCCS2)CC1 ZINC000385549278 360268856 /nfs/dbraw/zinc/26/88/56/360268856.db2.gz WOGBCCMIGRATBQ-CQSZACIVSA-N 2 0 271.474 1.499 10 0 CDAERP CC(C)NC(=O)CC[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000337695703 360353150 /nfs/dbraw/zinc/35/31/50/360353150.db2.gz XZRAGVFQXCKOAI-UHFFFAOYSA-N 2 0 269.433 1.706 10 0 CDAERP OCCN1CCCC[C@@H]1C[NH2+][C@@H]1CCCC12CC2 ZINC000514734691 360367064 /nfs/dbraw/zinc/36/70/64/360367064.db2.gz KMUNVQSEKOIZSR-ZIAGYGMSSA-N 2 0 252.402 1.756 10 0 CDAERP CC[NH+]1CCN(c2ccccc2NC(=O)[C@H](C)[NH2+]C)CC1 ZINC000566468712 360356469 /nfs/dbraw/zinc/35/64/69/360356469.db2.gz BLTZJKTWYYPGKT-ZDUSSCGKSA-N 2 0 290.411 1.375 10 0 CDAERP CCOC(=O)C1CCC([NH2+][C@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000261574855 360418713 /nfs/dbraw/zinc/41/87/13/360418713.db2.gz BGHRLXHXTVNAAU-RYSNWHEDSA-N 2 0 268.401 1.696 10 0 CDAERP C[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccnn1C ZINC000635007462 360646177 /nfs/dbraw/zinc/64/61/77/360646177.db2.gz DCYNMHRKXDEJRK-LBPRGKRZSA-N 2 0 270.380 1.917 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000626929066 360647437 /nfs/dbraw/zinc/64/74/37/360647437.db2.gz OMQABCCOVMZDHB-LSDHHAIUSA-N 2 0 296.459 1.547 10 0 CDAERP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)[C@@H]1CCCOC1 ZINC000356838423 299315144 /nfs/dbraw/zinc/31/51/44/299315144.db2.gz DNHIZVKKKCXRIW-ZNMIVQPWSA-N 2 0 270.417 1.238 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)CC[NH+](C)C)[C@@H](C)C1 ZINC000448468432 360893466 /nfs/dbraw/zinc/89/34/66/360893466.db2.gz UYBFRJKRSVJWCS-ZNMIVQPWSA-N 2 0 298.475 1.698 10 0 CDAERP [NH3+][C@@H]1CC[C@@H](C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)C1 ZINC000333671568 283594436 /nfs/dbraw/zinc/59/44/36/283594436.db2.gz YJFQMSDVWRGWRX-KFWWJZLASA-N 2 0 273.380 1.287 10 0 CDAERP CNC(=O)c1cccc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000335859151 360988751 /nfs/dbraw/zinc/98/87/51/360988751.db2.gz FVGFYUCUSLFDBX-QGZVFWFLSA-N 2 0 287.407 1.574 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000431722751 361038576 /nfs/dbraw/zinc/03/85/76/361038576.db2.gz MTLCFRYSRDCFLF-INIZCTEOSA-N 2 0 293.455 1.805 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000566293236 370673567 /nfs/dbraw/zinc/67/35/67/370673567.db2.gz KCLOMKPIXNHIQH-IJEWVQPXSA-N 2 0 279.428 1.461 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC000519572539 361358144 /nfs/dbraw/zinc/35/81/44/361358144.db2.gz QWNVFXZQKSMGCQ-CABCVRRESA-N 2 0 283.460 1.907 10 0 CDAERP C[NH2+]CCCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000417932994 361402273 /nfs/dbraw/zinc/40/22/73/361402273.db2.gz DMHAVUZKYVMRMO-GJZGRUSLSA-N 2 0 290.411 1.341 10 0 CDAERP CC[C@@H](CO)[NH+]1CCN(CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000351219033 361623216 /nfs/dbraw/zinc/62/32/16/361623216.db2.gz AQOHUXLNXYTOPB-JKSUJKDBSA-N 2 0 283.460 1.249 10 0 CDAERP Cc1ccncc1CN(CCO)C1CC[NH+](C)CC1 ZINC000269491134 364208389 /nfs/dbraw/zinc/20/83/89/364208389.db2.gz SVAKMDJOUAZTFR-UHFFFAOYSA-N 2 0 263.385 1.279 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+]C[C@](C)(O)C[NH+](C)C)C12CCC2 ZINC000300414933 364284580 /nfs/dbraw/zinc/28/45/80/364284580.db2.gz PBOYTDLSRJMAHO-MJBXVCDLSA-N 2 0 270.417 1.236 10 0 CDAERP O=C(NCc1ccc2c(c1)C[NH2+]C2)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000249069519 364472313 /nfs/dbraw/zinc/47/23/13/364472313.db2.gz KLRPXOIGCACGGG-XKQJLSEDSA-N 2 0 299.418 1.827 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCCOC)C1 ZINC001661045201 1172327661 /nfs/dbraw/zinc/32/76/61/1172327661.db2.gz BMCPXMHUYXOBTF-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CSC1(C[NH2+]Cc2cocn2)CC[NH+](C)CC1 ZINC000353215541 365067954 /nfs/dbraw/zinc/06/79/54/365067954.db2.gz WKGOJNSLZGJANA-UHFFFAOYSA-N 2 0 255.387 1.592 10 0 CDAERP C[C@@H](NC(=O)NCCC[NH3+])[C@H](c1ccccc1)[NH+](C)C ZINC000418161488 296079548 /nfs/dbraw/zinc/07/95/48/296079548.db2.gz BUWIIGBTTMEBTQ-TZMCWYRMSA-N 2 0 278.400 1.326 10 0 CDAERP C[C@H](CCCC[NH3+])NC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000516569211 366873013 /nfs/dbraw/zinc/87/30/13/366873013.db2.gz BIKXVATTYWDUEB-OQMKEHIESA-N 2 0 297.443 1.153 10 0 CDAERP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)[C@H]1C[C@H]1C ZINC000414115637 241071673 /nfs/dbraw/zinc/07/16/73/241071673.db2.gz NHHNVTODUPYIAM-KFWWJZLASA-N 2 0 253.434 1.648 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000626976689 367120509 /nfs/dbraw/zinc/12/05/09/367120509.db2.gz MKJRJUXNUXETPL-CHWSQXEVSA-N 2 0 270.421 1.158 10 0 CDAERP CC[NH+](CC)CC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000175101238 367088752 /nfs/dbraw/zinc/08/87/52/367088752.db2.gz GQKWXIKOQGXSLZ-OLZOCXBDSA-N 2 0 255.406 1.269 10 0 CDAERP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)CCN1C ZINC000226877439 367379619 /nfs/dbraw/zinc/37/96/19/367379619.db2.gz LHZFEJOWKJVJQW-TUVASFSCSA-N 2 0 268.401 1.397 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000418109939 367375779 /nfs/dbraw/zinc/37/57/79/367375779.db2.gz VESVGUNYGVKHTQ-FRRDWIJNSA-N 2 0 270.421 1.109 10 0 CDAERP CC1=CC[NH+](CCNC(=O)NCC[N@@H+](C)C(C)C)CC1 ZINC000358156786 367474596 /nfs/dbraw/zinc/47/45/96/367474596.db2.gz AJIDNOUZTKGKDE-UHFFFAOYSA-N 2 0 282.432 1.278 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000627167240 367601691 /nfs/dbraw/zinc/60/16/91/367601691.db2.gz ADELTRLLIYFDQG-HZSPNIEDSA-N 2 0 280.416 1.007 10 0 CDAERP CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000627161976 367592810 /nfs/dbraw/zinc/59/28/10/367592810.db2.gz CKHROLUILJEZDM-UONOGXRCSA-N 2 0 284.448 1.500 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000416999336 242258883 /nfs/dbraw/zinc/25/88/83/242258883.db2.gz CASRJYTVPCUWAZ-JHJVBQTASA-N 2 0 270.421 1.156 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NC1CCC([NH3+])CC1 ZINC000417011546 242266942 /nfs/dbraw/zinc/26/69/42/242266942.db2.gz SJCHODYMYXWOKU-PNESKVBLSA-N 2 0 270.421 1.286 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000417017725 242270658 /nfs/dbraw/zinc/27/06/58/242270658.db2.gz PBIXBRSLKOFXAL-DRZSPHRISA-N 2 0 296.440 1.482 10 0 CDAERP CC[NH+](CC)Cc1cccc(CNC(=O)NCCC[NH3+])c1 ZINC000416982344 242249939 /nfs/dbraw/zinc/24/99/39/242249939.db2.gz MGDIBQDKZZVTGS-UHFFFAOYSA-N 2 0 292.427 1.676 10 0 CDAERP C[C@@H](NC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)[C@H](C)[NH3+] ZINC000417169646 242343932 /nfs/dbraw/zinc/34/39/32/242343932.db2.gz HXPXGWCUQPGCHQ-MISXGVKJSA-N 2 0 296.390 1.463 10 0 CDAERP C[C@H]1CC[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[NH2+]1 ZINC000627208861 367706200 /nfs/dbraw/zinc/70/62/00/367706200.db2.gz ZPQUFWYNWAMZRG-VJBQPNPTSA-N 2 0 280.416 1.051 10 0 CDAERP C[C@H]1CC[C@@H](NC(=O)N(C)CC2CC[NH+](C)CC2)C[NH2+]1 ZINC000627195552 367682522 /nfs/dbraw/zinc/68/25/22/367682522.db2.gz CAWBOJPBFCZHKC-GXTWGEPZSA-N 2 0 282.432 1.110 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)N(C)CC[NH+]2CCCCC2)C[NH2+]1 ZINC000627209200 367707592 /nfs/dbraw/zinc/70/75/92/367707592.db2.gz DNZOUTBZQDRSFH-ZIAGYGMSSA-N 2 0 282.432 1.254 10 0 CDAERP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627243557 367841113 /nfs/dbraw/zinc/84/11/13/367841113.db2.gz MJTICASJDINICA-REWJHTLYSA-N 2 0 280.416 1.005 10 0 CDAERP O=C(CCC1C[NH2+]C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000638060233 367902134 /nfs/dbraw/zinc/90/21/34/367902134.db2.gz RBJGSKDHUXVOBK-UHFFFAOYSA-N 2 0 279.428 1.463 10 0 CDAERP [NH3+][C@H]1CCC[C@@H](NC(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000418287549 242897300 /nfs/dbraw/zinc/89/73/00/242897300.db2.gz UEKDIGCIUZZMMP-QWHCGFSZSA-N 2 0 282.432 1.607 10 0 CDAERP C[NH2+]C[C@H]1CCCN1C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418445772 243086837 /nfs/dbraw/zinc/08/68/37/243086837.db2.gz HQFPAXCFCFQALK-KGLIPLIRSA-N 2 0 276.384 1.080 10 0 CDAERP C[C@@H](NCC1([NH+](C)C)CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000400328479 296118402 /nfs/dbraw/zinc/11/84/02/296118402.db2.gz BBKQSPXPNZBEQA-ZIAGYGMSSA-N 2 0 253.434 1.839 10 0 CDAERP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418453408 243098436 /nfs/dbraw/zinc/09/84/36/243098436.db2.gz PEHPPZDCDZFFJZ-OUCADQQQSA-N 2 0 276.384 1.078 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000418578261 243232685 /nfs/dbraw/zinc/23/26/85/243232685.db2.gz PUQSGMSMOKZNSV-MGPQQGTHSA-N 2 0 282.432 1.109 10 0 CDAERP CCCC[NH+]1CCC(N[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000360861443 368524350 /nfs/dbraw/zinc/52/43/50/368524350.db2.gz SCXVYKQMOZLQLH-ZFWWWQNUSA-N 2 0 253.434 1.791 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000418726066 243378998 /nfs/dbraw/zinc/37/89/98/243378998.db2.gz OIEAKRGGPWXTMJ-NEPJUHHUSA-N 2 0 282.388 1.089 10 0 CDAERP c1ccc(N2CC[C@H](C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC000638185929 368642218 /nfs/dbraw/zinc/64/22/18/368642218.db2.gz FUBWCNBIAIBTPU-PMPSAXMXSA-N 2 0 271.408 1.664 10 0 CDAERP C[C@H]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[N@@H+]1C ZINC000541856957 368688302 /nfs/dbraw/zinc/68/83/02/368688302.db2.gz NBFNAHDKCRTIHD-KBPBESRZSA-N 2 0 290.411 1.507 10 0 CDAERP COc1c[nH+]ccc1N1CC[NH+](CCCSC)CC1 ZINC000361521122 368871385 /nfs/dbraw/zinc/87/13/85/368871385.db2.gz YVJJZSOFHVLIMT-UHFFFAOYSA-N 2 0 281.425 1.965 10 0 CDAERP CC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@H]1CCOC1 ZINC000361574915 368908002 /nfs/dbraw/zinc/90/80/02/368908002.db2.gz AYJZCGZPKOFYOC-HNNXBMFYSA-N 2 0 297.443 1.086 10 0 CDAERP C[C@@]1(F)C[NH2+]CCN(c2cc(N3CCCCC3)ncn2)C1 ZINC000420272943 244006131 /nfs/dbraw/zinc/00/61/31/244006131.db2.gz WZWNGOZVJQWADL-OAHLLOKOSA-N 2 0 293.390 1.605 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C(N)=O)c2)[C@@H]2CCC[C@H]21 ZINC000367622713 369201273 /nfs/dbraw/zinc/20/12/73/369201273.db2.gz VFJQZCYHVXLILB-HRCADAONSA-N 2 0 287.407 1.748 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)N(C)C[C@@H]2CCC[NH+](C)C2)C1 ZINC000115807058 369224581 /nfs/dbraw/zinc/22/45/81/369224581.db2.gz SBMZXXZTPHUSBJ-CABCVRRESA-N 2 0 296.459 1.454 10 0 CDAERP C[C@@H]1CCC[C@H](C)N1C(=O)CN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000367847240 369266627 /nfs/dbraw/zinc/26/66/27/369266627.db2.gz DZUVOUGLLHOVKT-UXLLHSPISA-N 2 0 293.455 1.804 10 0 CDAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638300516 369284865 /nfs/dbraw/zinc/28/48/65/369284865.db2.gz GUQGSGKRXUPHOD-XJKSGUPXSA-N 2 0 287.407 1.671 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001661399815 1172385376 /nfs/dbraw/zinc/38/53/76/1172385376.db2.gz ZVINYDOCZOSCSW-IHRRRGAJSA-N 2 0 267.417 1.364 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])NC(=O)c1c[nH+]ccc1N(C)C ZINC000571923058 294523677 /nfs/dbraw/zinc/52/36/77/294523677.db2.gz JTEDVZLUOGWNAX-VHSXEESVSA-N 2 0 250.346 1.003 10 0 CDAERP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170833647 369685489 /nfs/dbraw/zinc/68/54/89/369685489.db2.gz NJEXMRNRITXOLS-KFWWJZLASA-N 2 0 296.459 1.452 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638405393 369809009 /nfs/dbraw/zinc/80/90/09/369809009.db2.gz ZCUANJZEKVWWBC-RYUDHWBXSA-N 2 0 251.374 1.023 10 0 CDAERP COC1(C(=O)NCc2ccc([C@H](C)[NH3+])cc2)CC[NH2+]CC1 ZINC000564987947 370318398 /nfs/dbraw/zinc/31/83/98/370318398.db2.gz CDDQBTQSBWEZKC-LBPRGKRZSA-N 2 0 291.395 1.091 10 0 CDAERP COC[C@@](C)(O)CC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000565285793 370409310 /nfs/dbraw/zinc/40/93/10/370409310.db2.gz VXTFRGNVBGDIAE-HNNXBMFYSA-N 2 0 270.417 1.238 10 0 CDAERP COc1c(Br)cc(C[NH3+])cc1CC[NH3+] ZINC000575602183 370580021 /nfs/dbraw/zinc/58/00/21/370580021.db2.gz LHANDPGQQMONOV-UHFFFAOYSA-N 2 0 259.147 1.418 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000422739411 245200982 /nfs/dbraw/zinc/20/09/82/245200982.db2.gz LDODBLHIPMTSFZ-DZGCQCFKSA-N 3 0 253.434 1.839 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000414953751 371036590 /nfs/dbraw/zinc/03/65/90/371036590.db2.gz KBPDQTCXVDBACA-CJNGLKHVSA-N 2 0 270.380 1.960 10 0 CDAERP CCN(CC)C(=[NH2+])NC1CC([NH+]2CCCCC2)C1 ZINC000376019724 371079352 /nfs/dbraw/zinc/07/93/52/371079352.db2.gz RLCRUWKMZLPKHP-UHFFFAOYSA-N 2 0 252.406 1.869 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000376565669 371274447 /nfs/dbraw/zinc/27/44/47/371274447.db2.gz JKAIOPKGPGAYDM-GPANFISMSA-N 2 0 293.455 1.994 10 0 CDAERP CCC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C(C)C ZINC000573455262 371548637 /nfs/dbraw/zinc/54/86/37/371548637.db2.gz FSKOSDZZMDOXCH-UHFFFAOYSA-N 2 0 281.444 1.850 10 0 CDAERP C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)C1CC[NH+](C2CC2)CC1 ZINC000192784623 372048279 /nfs/dbraw/zinc/04/82/79/372048279.db2.gz OFRCVRGAOGDTIO-BETUJISGSA-N 2 0 279.428 1.412 10 0 CDAERP COCCN(C)C[C@H](O)C[N@@H+]1C[C@H](C)C[C@@H](C)[C@@H]1C ZINC000394063364 372336519 /nfs/dbraw/zinc/33/65/19/372336519.db2.gz QXPHOSCWGGBGCM-KBXIAJHMSA-N 2 0 272.433 1.292 10 0 CDAERP CC(C)([NH3+])C(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000361724752 372633334 /nfs/dbraw/zinc/63/33/34/372633334.db2.gz BAXWGGDWKOKION-GFCCVEGCSA-N 2 0 253.390 1.201 10 0 CDAERP C[C@@H]([NH2+]CCC[NH3+])c1cccc(N2CCOCC2)c1 ZINC000423176842 245637524 /nfs/dbraw/zinc/63/75/24/245637524.db2.gz ICHFXLNFDQEGFN-CYBMUJFWSA-N 2 0 263.385 1.523 10 0 CDAERP CC[C@@H]1C[N@H+](CCCc2cncn2C)C[C@@]2(CCOC2)O1 ZINC000581318523 372942649 /nfs/dbraw/zinc/94/26/49/372942649.db2.gz WWOHIMMQCBGAEI-HZPDHXFCSA-N 2 0 293.411 1.623 10 0 CDAERP C[C@@H]1C[C@@H](NC(=[NH2+])NCc2ccccc2)CC[N@@H+]1C ZINC000307494112 372969319 /nfs/dbraw/zinc/96/93/19/372969319.db2.gz FFRFDIQZBVDTCF-OCCSQVGLSA-N 2 0 260.385 1.783 10 0 CDAERP Cc1ncsc1CC[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000581482749 373030522 /nfs/dbraw/zinc/03/05/22/373030522.db2.gz ZHTIPZIDBQYIGV-PWSUYJOCSA-N 2 0 253.415 1.972 10 0 CDAERP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)CC(=O)Nc1ccccc1 ZINC000225333008 373041020 /nfs/dbraw/zinc/04/10/20/373041020.db2.gz IYOLJEVPJAZLTI-UKRRQHHQSA-N 2 0 275.396 1.897 10 0 CDAERP C[C@@]1(C(=O)N2CC3CCC2(C[NH3+])CC3)CCC[NH2+]C1 ZINC000581555687 373090723 /nfs/dbraw/zinc/09/07/23/373090723.db2.gz PRKXFBWQKMZQOQ-HNFVBEJKSA-N 2 0 265.401 1.106 10 0 CDAERP O[C@@H]1CCN(CC[NH2+]C2CC3(C2)CCCCC3)C1 ZINC000628464775 374248717 /nfs/dbraw/zinc/24/87/17/374248717.db2.gz JBJHUBRAQIALGE-CQSZACIVSA-N 2 0 252.402 1.756 10 0 CDAERP CC(=O)CC[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000103481243 374420764 /nfs/dbraw/zinc/42/07/64/374420764.db2.gz PWTLVAULTAKZIK-HUUCEWRRSA-N 2 0 282.428 1.787 10 0 CDAERP CC(C)[NH+]1CCC([NH2+][C@H]2CCC[C@H](CO)C2)CC1 ZINC000336788856 374674330 /nfs/dbraw/zinc/67/43/30/374674330.db2.gz RDEBJXRDDDFLBE-ZFWWWQNUSA-N 2 0 254.418 2.000 10 0 CDAERP CC[NH2+]Cc1cccc(NC(=O)NCC(C)(C)[NH2+]C)c1 ZINC000415912157 375476741 /nfs/dbraw/zinc/47/67/41/375476741.db2.gz KOOADSOMCLCJGF-UHFFFAOYSA-N 2 0 278.400 1.916 10 0 CDAERP C[C@@H]1C[C@H](N(C)CC[C@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000245645981 376125494 /nfs/dbraw/zinc/12/54/94/376125494.db2.gz TZKIZSMQZQCDKJ-RBSFLKMASA-N 2 0 253.434 1.885 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@H](C)C[NH2+]C)CC1 ZINC000638976018 376321767 /nfs/dbraw/zinc/32/17/67/376321767.db2.gz SJKWYVSYHZJTQW-GFCCVEGCSA-N 2 0 255.406 1.175 10 0 CDAERP Cn1c2cc(C[N@H+](C)CC(C)(C)C[NH3+])ccc2oc1=O ZINC000631822049 376643363 /nfs/dbraw/zinc/64/33/63/376643363.db2.gz RKTHXHXZRWOUJW-UHFFFAOYSA-N 2 0 277.368 1.548 10 0 CDAERP C[C@H]1CN(Cc2cnn(C(C)(C)C)c2)C[C@@H]1C[NH3+] ZINC000631836540 376681236 /nfs/dbraw/zinc/68/12/36/376681236.db2.gz BCMJHKDDSUSPLE-AAEUAGOBSA-N 2 0 250.390 1.665 10 0 CDAERP C[C@H]1C[N@H+](Cc2ccc(-n3cccn3)cc2)C[C@@H]1C[NH3+] ZINC000631839621 376688897 /nfs/dbraw/zinc/68/88/97/376688897.db2.gz IPLODLTWIWNNSM-ZFWWWQNUSA-N 2 0 270.380 1.899 10 0 CDAERP NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631888210 376782099 /nfs/dbraw/zinc/78/20/99/376782099.db2.gz XJOARYOKSUDGPT-CABCVRRESA-N 2 0 273.380 1.359 10 0 CDAERP Cc1nccn1CCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631890448 376783637 /nfs/dbraw/zinc/78/36/37/376783637.db2.gz PJKJGTBHLKBPRR-GJZGRUSLSA-N 2 0 262.401 1.656 10 0 CDAERP c1cc2c(cc1C[N@@H+]1CCC[C@H]3C[NH2+]CC[C@H]31)C[NH2+]CC2 ZINC000631890742 376786592 /nfs/dbraw/zinc/78/65/92/376786592.db2.gz SOVLSKQDOLIBQI-FUHWJXTLSA-N 3 0 285.435 1.906 10 0 CDAERP CC[C@@H](Cn1cncn1)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000331254670 376808362 /nfs/dbraw/zinc/80/83/62/376808362.db2.gz UAZJAYZSVLZCHR-LBPRGKRZSA-N 2 0 279.432 1.956 10 0 CDAERP COCC[C@H](COC)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000336796951 377725274 /nfs/dbraw/zinc/72/52/74/377725274.db2.gz XMPPXWXWTSBTPO-MCIONIFRSA-N 2 0 256.390 1.254 10 0 CDAERP CC(C)(C)CC(C)(C)NC1=[NH+]CCNC12CC[NH2+]CC2 ZINC000075567214 377817548 /nfs/dbraw/zinc/81/75/48/377817548.db2.gz CDBXSEDNUGRLLF-UHFFFAOYSA-N 2 0 280.460 1.915 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[NH+](C)C2)CC[N@@H+]1C ZINC000633613208 378594501 /nfs/dbraw/zinc/59/45/01/378594501.db2.gz VDBDYDHWMRPFSK-MELADBBJSA-N 2 0 267.417 1.269 10 0 CDAERP Cc1cnccc1C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000657572614 412904150 /nfs/dbraw/zinc/90/41/50/412904150.db2.gz CXLFYEXMQSMRDM-HNNXBMFYSA-N 2 0 278.444 1.752 10 0 CDAERP CO[C@H]1CCC[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)C1 ZINC000657572749 412905051 /nfs/dbraw/zinc/90/50/51/412905051.db2.gz DWBLQYIJVAHIDI-XHSDSOJGSA-N 2 0 285.476 1.806 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](COC)OC)[C@H](C)C1 ZINC000660083145 412912653 /nfs/dbraw/zinc/91/26/53/412912653.db2.gz RRXWXPBOYHQBCP-MCIONIFRSA-N 2 0 258.406 1.310 10 0 CDAERP CC(C)[C@H]1CN(C(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)CC[N@@H+]1C ZINC000634300795 379359919 /nfs/dbraw/zinc/35/99/19/379359919.db2.gz LZVZKQSPGVYHSX-RRFJBIMHSA-N 2 0 279.428 1.316 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000662350478 412915312 /nfs/dbraw/zinc/91/53/12/412915312.db2.gz CGISFCLFAAIQRB-KBPBESRZSA-N 2 0 285.432 1.119 10 0 CDAERP CC[C@H](Cn1cncn1)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453419350 252316929 /nfs/dbraw/zinc/31/69/29/252316929.db2.gz YWEMCXBCTQOQJZ-CYBMUJFWSA-N 2 0 265.405 1.521 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000655970772 412983418 /nfs/dbraw/zinc/98/34/18/412983418.db2.gz LNJUSBKNGFYRHC-VQJWOFKYSA-N 2 0 294.443 1.095 10 0 CDAERP CCCC[C@@H](C[NH3+])NC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662431052 413013131 /nfs/dbraw/zinc/01/31/31/413013131.db2.gz HEKZHNKLNYPVFP-NSHDSACASA-N 2 0 253.390 1.282 10 0 CDAERP C[C@H](NC(=O)NC1CC[NH+](C2CC2)CC1)c1nccn1C ZINC000660277460 413033463 /nfs/dbraw/zinc/03/34/63/413033463.db2.gz HEYSANWAWVUPHW-NSHDSACASA-N 2 0 291.399 1.407 10 0 CDAERP COC(=O)[C@@H](C[NH2+]CCCC[NH+](C)C)c1ccccc1 ZINC000080969373 177743283 /nfs/dbraw/zinc/74/32/83/177743283.db2.gz POHMTPHYFVDLKH-HNNXBMFYSA-N 2 0 278.396 1.875 10 0 CDAERP COC(=O)[C@H](C[NH2+]CCCC[NH+](C)C)c1ccccc1 ZINC000080969377 177743168 /nfs/dbraw/zinc/74/31/68/177743168.db2.gz POHMTPHYFVDLKH-OAHLLOKOSA-N 2 0 278.396 1.875 10 0 CDAERP C[NH+]1CCN(CCC[NH2+][C@@H]2CCCSCC2)CC1 ZINC000657823265 413044262 /nfs/dbraw/zinc/04/42/62/413044262.db2.gz CYIJOXALLODKEU-CQSZACIVSA-N 2 0 271.474 1.499 10 0 CDAERP C[N@H+](CCC(=O)N1CC[C@H]2C[NH+](C)C[C@@H]21)C1CCCCC1 ZINC000646912077 390296442 /nfs/dbraw/zinc/29/64/42/390296442.db2.gz MTMFOOYEPKUPRU-HOCLYGCPSA-N 2 0 293.455 1.804 10 0 CDAERP CN(CCC(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21)c1cc[nH+]cc1 ZINC000646937832 390300524 /nfs/dbraw/zinc/30/05/24/390300524.db2.gz UGPNKLLYZNHWDB-ZFWWWQNUSA-N 2 0 288.395 1.070 10 0 CDAERP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC000646943149 390303699 /nfs/dbraw/zinc/30/36/99/390303699.db2.gz BLCAOPBKBDRIGA-IMJJTQAJSA-N 2 0 291.439 1.556 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[C@H]2C[NH+](C)C[C@H]21 ZINC000646934541 390309530 /nfs/dbraw/zinc/30/95/30/390309530.db2.gz VACIDMNJTPBBOL-RFQIPJPRSA-N 2 0 265.401 1.022 10 0 CDAERP CC[C@@H]1CN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CC[C@@H]1[NH3+] ZINC000647008776 390353944 /nfs/dbraw/zinc/35/39/44/390353944.db2.gz UTQZHPAGMUSZCH-KFWWJZLASA-N 2 0 281.444 1.837 10 0 CDAERP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)o1 ZINC000647084901 390394795 /nfs/dbraw/zinc/39/47/95/390394795.db2.gz OIGRTSJGBMUNFQ-AAEUAGOBSA-N 2 0 279.384 1.541 10 0 CDAERP [NH3+]CC12CCC(CC1)CN2C(=O)C1CC[NH+](C2CC2)CC1 ZINC000568151922 390441576 /nfs/dbraw/zinc/44/15/76/390441576.db2.gz QCXDQEMTDSXNEC-UHFFFAOYSA-N 2 0 291.439 1.591 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000362824824 285383614 /nfs/dbraw/zinc/38/36/14/285383614.db2.gz FEWAEYQFZZLMLU-ZBFHGGJFSA-N 2 0 295.471 1.907 10 0 CDAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000237182923 390798302 /nfs/dbraw/zinc/79/83/02/390798302.db2.gz NLZFVKZGOZCWLY-VGWMRTNUSA-N 2 0 293.455 1.707 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000417751030 391026178 /nfs/dbraw/zinc/02/61/78/391026178.db2.gz ONWLEVSPRXMPCY-CQSZACIVSA-N 2 0 282.432 1.145 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000647550932 390999689 /nfs/dbraw/zinc/99/96/89/390999689.db2.gz OVRNTLNMPREEHC-RYMFRWLXSA-N 2 0 250.386 1.532 10 0 CDAERP C[N@@H+]1CCC[C@H](CCNC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000418296597 391285419 /nfs/dbraw/zinc/28/54/19/391285419.db2.gz SVJCPCVGBUIFFF-KFWWJZLASA-N 2 0 294.443 1.254 10 0 CDAERP C[NH2+]CCNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418326849 391318020 /nfs/dbraw/zinc/31/80/20/391318020.db2.gz LISKTECFOJFLSN-HNNXBMFYSA-N 2 0 290.411 1.122 10 0 CDAERP CC[NH+](CC)[C@@H](C)CNC(=O)N1CC[NH+](CC(C)C)CC1 ZINC000193444793 391338783 /nfs/dbraw/zinc/33/87/83/391338783.db2.gz JWOYSQGCWAGRMH-HNNXBMFYSA-N 2 0 298.475 1.700 10 0 CDAERP C[C@]1(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)CCC[NH2+]C1 ZINC000648104977 391339090 /nfs/dbraw/zinc/33/90/90/391339090.db2.gz SUEYEBFSQJGJFW-DZKIICNBSA-N 2 0 279.428 1.367 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000418031410 391346596 /nfs/dbraw/zinc/34/65/96/391346596.db2.gz TUUIOGYCDIUXNY-KGLIPLIRSA-N 2 0 296.459 1.406 10 0 CDAERP CC(C)C[C@@H]([NH3+])CN1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000414748558 391360108 /nfs/dbraw/zinc/36/01/08/391360108.db2.gz WSUKWTMSNILPIG-HUUCEWRRSA-N 2 0 283.460 1.545 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000418354504 391372830 /nfs/dbraw/zinc/37/28/30/391372830.db2.gz WLMNBBIYTNQXOY-ILXRZTDVSA-N 2 0 296.459 1.358 10 0 CDAERP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CC1=O ZINC000353621333 391398142 /nfs/dbraw/zinc/39/81/42/391398142.db2.gz MBQKGRVVUCDJGR-AQGHMYMLSA-N 2 0 291.439 1.458 10 0 CDAERP CC[C@H]([NH3+])CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000418716628 391532902 /nfs/dbraw/zinc/53/29/02/391532902.db2.gz SGKFHTRDFYBPPT-UONOGXRCSA-N 2 0 282.432 1.384 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000647724940 391544120 /nfs/dbraw/zinc/54/41/20/391544120.db2.gz FHISXZFUVFMPKH-UHFFFAOYSA-N 2 0 267.417 1.271 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000417810123 391497198 /nfs/dbraw/zinc/49/71/98/391497198.db2.gz NEDMDVNLMSODMK-STQMWFEESA-N 2 0 296.459 1.818 10 0 CDAERP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCN(C)C(=O)C1 ZINC000424326075 391673010 /nfs/dbraw/zinc/67/30/10/391673010.db2.gz NECLUYNBPZQORC-YIYPIFLZSA-N 2 0 267.417 1.173 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N(C)C[C@H]1CCC[NH+]1CC ZINC000245415379 391682545 /nfs/dbraw/zinc/68/25/45/391682545.db2.gz GDELPSIVARYXNR-LSDHHAIUSA-N 2 0 298.475 1.842 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000417607067 391696051 /nfs/dbraw/zinc/69/60/51/391696051.db2.gz FYUZPHBGHGKGCN-MRXNPFEDSA-N 2 0 296.459 1.503 10 0 CDAERP c1cnc(N[C@H]2CC[N@@H+](CCCC3CC[NH2+]CC3)C2)nc1 ZINC000647995217 391738974 /nfs/dbraw/zinc/73/89/74/391738974.db2.gz GORAZXNYKKCTDG-HNNXBMFYSA-N 2 0 289.427 1.743 10 0 CDAERP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCCC[NH3+] ZINC000418232359 391826372 /nfs/dbraw/zinc/82/63/72/391826372.db2.gz DIMUHVZYUUNIBJ-ZDUSSCGKSA-N 2 0 270.421 1.145 10 0 CDAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000649298971 391934271 /nfs/dbraw/zinc/93/42/71/391934271.db2.gz OQBGVLPPJDXDIP-MJBXVCDLSA-N 2 0 267.417 1.162 10 0 CDAERP C[NH+]1CCC2(CC1)C[N@H+](CC[C@H]1CCCCO1)CCO2 ZINC000646105703 392012570 /nfs/dbraw/zinc/01/25/70/392012570.db2.gz DBLDEBXSURXBGU-OAHLLOKOSA-N 2 0 282.428 1.742 10 0 CDAERP CCC[C@H]1CN(C[C@@]2(C)CC[NH2+]C2)CC[N@@H+]1CCOC ZINC000261699383 392018947 /nfs/dbraw/zinc/01/89/47/392018947.db2.gz CEORNVDRKICBED-HOTGVXAUSA-N 2 0 283.460 1.419 10 0 CDAERP Cn1cc([C@H]2CC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)cn1 ZINC000163043583 392020063 /nfs/dbraw/zinc/02/00/63/392020063.db2.gz XXRRRWGNMJRYHK-ZFWWWQNUSA-N 2 0 262.401 1.694 10 0 CDAERP CCC[C@@](C)([NH3+])C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000262172502 392036223 /nfs/dbraw/zinc/03/62/23/392036223.db2.gz XMFQTOVNYNAZNK-TZMCWYRMSA-N 2 0 255.406 1.495 10 0 CDAERP Cc1cnc(CCN(C)C[C@H](O)C[N@H+](C)C2CC2)s1 ZINC000336812599 392102251 /nfs/dbraw/zinc/10/22/51/392102251.db2.gz APINPIDBNFPDAL-ZDUSSCGKSA-N 2 0 283.441 1.381 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422004625 392172391 /nfs/dbraw/zinc/17/23/91/392172391.db2.gz HAMUYLRDWXAPAU-NRXISQOPSA-N 2 0 281.444 1.850 10 0 CDAERP CC1=CCN(CC[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000423039061 392293646 /nfs/dbraw/zinc/29/36/46/392293646.db2.gz PLDQIBPMLSFGOI-LSDHHAIUSA-N 2 0 251.418 1.616 10 0 CDAERP C([NH2+][C@H](C1CC1)[C@@H]1CNCCO1)C1CC[NH+](C2CC2)CC1 ZINC000423091716 392337202 /nfs/dbraw/zinc/33/72/02/392337202.db2.gz YJRACUGMUZAZLR-DLBZAZTESA-N 2 0 293.455 1.217 10 0 CDAERP CCCN1CCC[C@H]1C[NH2+][C@H](CCC[NH3+])COC ZINC000423111208 392354251 /nfs/dbraw/zinc/35/42/51/392354251.db2.gz QGLYUZKCOFPQEF-KGLIPLIRSA-N 2 0 257.422 1.204 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCC1C[C@@H](C)O[C@H](C)C1 ZINC000423117110 392357695 /nfs/dbraw/zinc/35/76/95/392357695.db2.gz TUAPDTPTOJHPQG-NFAWXSAZSA-N 2 0 272.433 1.924 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000629528484 392385381 /nfs/dbraw/zinc/38/53/81/392385381.db2.gz AEOLYKDJEWULBN-CQSZACIVSA-N 2 0 282.359 1.865 10 0 CDAERP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCCNCc1cccnc1 ZINC000423193357 392431930 /nfs/dbraw/zinc/43/19/30/392431930.db2.gz XFXGRYXVLPBRJW-GOEBONIOSA-N 2 0 276.428 1.539 10 0 CDAERP CC[C@H]([NH3+])CN[C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000423459706 392577494 /nfs/dbraw/zinc/57/74/94/392577494.db2.gz IGXYYNJQNQABSU-BPUTZDHNSA-N 2 0 277.412 1.815 10 0 CDAERP CCC[C@@H](C(=O)NCC[N@H+](CC)CCC)[NH+](C)C ZINC000126973527 392600092 /nfs/dbraw/zinc/60/00/92/392600092.db2.gz LXGIVQOZEWBGFE-ZDUSSCGKSA-N 2 0 257.422 1.565 10 0 CDAERP O=C(NCCC[C@@H]1CCC[NH2+]1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000514925519 393064874 /nfs/dbraw/zinc/06/48/74/393064874.db2.gz SZPSEEWCNCCNIL-HOCLYGCPSA-N 2 0 294.443 1.304 10 0 CDAERP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc3[nH]cnc3c2)C1 ZINC000521826785 393068678 /nfs/dbraw/zinc/06/86/78/393068678.db2.gz XGBDOHRJIPHWNP-CYBMUJFWSA-N 2 0 258.369 1.994 10 0 CDAERP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CCC(=O)NC2(C)C)c1 ZINC000494908148 393128155 /nfs/dbraw/zinc/12/81/55/393128155.db2.gz HPLADFCKAHTQCH-OAHLLOKOSA-N 2 0 289.423 1.895 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)[C@@H]1C ZINC000494980484 393146333 /nfs/dbraw/zinc/14/63/33/393146333.db2.gz ZNNZJEMQZMQFDB-MCIONIFRSA-N 2 0 253.434 1.647 10 0 CDAERP CS[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000451318165 393219399 /nfs/dbraw/zinc/21/93/99/393219399.db2.gz FDKLRZDTLNIOPT-CQSZACIVSA-N 2 0 297.468 1.167 10 0 CDAERP Cc1cn2cc(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)ccc2n1 ZINC000648760004 393293664 /nfs/dbraw/zinc/29/36/64/393293664.db2.gz APOZXHGRCKIWRP-DGCLKSJQSA-N 2 0 272.352 1.921 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000122122485 139774182 /nfs/dbraw/zinc/77/41/82/139774182.db2.gz IMEOZIFBFGKQHJ-HUUCEWRRSA-N 2 0 298.475 1.748 10 0 CDAERP C[C@@H]([NH3+])C1CCN(C(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000178407254 140005290 /nfs/dbraw/zinc/00/52/90/140005290.db2.gz KGNSNZLPIBHOLI-LLVKDONJSA-N 2 0 261.369 1.345 10 0 CDAERP O=C(CC1CC[NH2+]CC1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186540196 140063582 /nfs/dbraw/zinc/06/35/82/140063582.db2.gz RXOOHQVARAAHJH-ZDUSSCGKSA-N 2 0 265.401 1.119 10 0 CDAERP CCCCOC[C@@H](O)C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000227906927 140188585 /nfs/dbraw/zinc/18/85/85/140188585.db2.gz VWRNXJSLJHSCGI-KGLIPLIRSA-N 2 0 258.406 1.048 10 0 CDAERP C[NH2+]CC1CCN(C(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000237341944 140253469 /nfs/dbraw/zinc/25/34/69/140253469.db2.gz JZXZCOLUZPEOIK-LSDHHAIUSA-N 2 0 281.444 1.742 10 0 CDAERP CC[NH2+][C@H](C)CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000418603103 285616121 /nfs/dbraw/zinc/61/61/21/285616121.db2.gz OOJGPZDMUBSKMM-CABCVRRESA-N 2 0 296.459 1.644 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000245409454 140265354 /nfs/dbraw/zinc/26/53/54/140265354.db2.gz MKNNCJVVVRKYKT-APIJFGDWSA-N 2 0 281.444 1.706 10 0 CDAERP C[C@H]1C[N@H+](CCC[NH+]2CCCC2)C[C@H]1N1CCOCC1 ZINC000245638718 140271307 /nfs/dbraw/zinc/27/13/07/140271307.db2.gz RVSMXDPIDQIXGO-JKSUJKDBSA-N 2 0 281.444 1.125 10 0 CDAERP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000252438343 140319433 /nfs/dbraw/zinc/31/94/33/140319433.db2.gz ADSKZQXKLXJSHZ-UGQVUOCMSA-N 2 0 291.439 1.508 10 0 CDAERP CC1(C)CN(C(=O)[C@H]([NH3+])c2ccccc2)CC[C@H]1[NH3+] ZINC000261668638 140372078 /nfs/dbraw/zinc/37/20/78/140372078.db2.gz ACCIIMJUPVMLFQ-CHWSQXEVSA-N 2 0 261.369 1.272 10 0 CDAERP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)C[C@@H](C)[NH3+])CC2 ZINC000261761556 140384881 /nfs/dbraw/zinc/38/48/81/140384881.db2.gz IBFOOOYFBPDIRT-UPJWGTAASA-N 2 0 253.390 1.197 10 0 CDAERP O=C(CC[C@H]1CC[NH2+]C1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000261824155 140395640 /nfs/dbraw/zinc/39/56/40/140395640.db2.gz MTUWASAQJKTNMW-HOCLYGCPSA-N 2 0 293.455 1.757 10 0 CDAERP CCN(C(=O)N[C@H]1CC[NH+](C2CC2)C1)[C@@H]1CC[N@H+](CC)C1 ZINC000664130700 413095190 /nfs/dbraw/zinc/09/51/90/413095190.db2.gz VIUDITPWRZFTNW-DZGCQCFKSA-N 2 0 294.443 1.349 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[NH+]2CCC1CC2 ZINC000662531056 413102774 /nfs/dbraw/zinc/10/27/74/413102774.db2.gz SJMXKAYOFRBWGH-ZDUSSCGKSA-N 2 0 267.417 1.304 10 0 CDAERP CCC[NH+]1CCC(NC(=O)N(CC)[C@H]2CC[N@H+](C)C2)CC1 ZINC000664223786 413157077 /nfs/dbraw/zinc/15/70/77/413157077.db2.gz CUNFJTYJQVHESW-HNNXBMFYSA-N 2 0 296.459 1.596 10 0 CDAERP C[C@@H]1C[C@@H](NC[C@H]2CC[NH+]2C(C)(C)C)CC[N@@H+]1C ZINC000658057282 413161841 /nfs/dbraw/zinc/16/18/41/413161841.db2.gz OJKVNYKAVQXAKW-HZSPNIEDSA-N 2 0 253.434 1.932 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CSC2)[C@@H](C)C1 ZINC000679625294 483397824 /nfs/dbraw/zinc/39/78/24/483397824.db2.gz FTOYCAKZEDLGOQ-JSGCOSHPSA-N 2 0 272.458 1.828 10 0 CDAERP CCc1cc(N[C@@H](C)[C@H](C)[NH3+])nc(-c2ccncc2)n1 ZINC000420256000 397690468 /nfs/dbraw/zinc/69/04/68/397690468.db2.gz CBLUHSUDMOCIRN-QWRGUYRKSA-N 2 0 271.368 1.671 10 0 CDAERP COC(=O)CC1(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)CC1 ZINC000420402083 397702654 /nfs/dbraw/zinc/70/26/54/397702654.db2.gz QBUZKAOVFXHDJX-KGLIPLIRSA-N 2 0 280.412 1.794 10 0 CDAERP CN(C(=O)CC[C@H]1CCC[NH2+]1)[C@H]1C[NH+]2CCC1CC2 ZINC000389192165 397846723 /nfs/dbraw/zinc/84/67/23/397846723.db2.gz OOSDYDLNDFTTGJ-KGLIPLIRSA-N 2 0 265.401 1.071 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)NC(C)(C)C[NH+](C)C ZINC000651197107 397875358 /nfs/dbraw/zinc/87/53/58/397875358.db2.gz WEDYCXJKNRPWFT-UHFFFAOYSA-N 2 0 286.464 1.604 10 0 CDAERP O=C(C[NH2+]C1(C2CCC2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000649807786 397966788 /nfs/dbraw/zinc/96/67/88/397966788.db2.gz FXMDMJUSSRFFAK-UHFFFAOYSA-N 2 0 291.439 1.652 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CCCn2ccnc21 ZINC000658105439 413203937 /nfs/dbraw/zinc/20/39/37/413203937.db2.gz AABFXRJNBMPOOK-GJZGRUSLSA-N 2 0 293.459 1.580 10 0 CDAERP CNC(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103229287 147168020 /nfs/dbraw/zinc/16/80/20/147168020.db2.gz OTVYPJKBRJCYCE-OAHLLOKOSA-N 2 0 281.444 1.711 10 0 CDAERP CCn1cc([C@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)cn1 ZINC000658109178 413210655 /nfs/dbraw/zinc/21/06/55/413210655.db2.gz RKKSAGUMFYYVDW-GJZGRUSLSA-N 2 0 295.475 1.826 10 0 CDAERP O=C(C[C@H]1CC[NH2+]C1)N1CCNC[C@@H]1c1cccc(F)c1 ZINC000262089000 149013339 /nfs/dbraw/zinc/01/33/39/149013339.db2.gz YJRJRYJBZZBDTI-IUODEOHRSA-N 2 0 291.370 1.298 10 0 CDAERP CC[NH+](CC)CCCCNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262348121 149050390 /nfs/dbraw/zinc/05/03/90/149050390.db2.gz ICVUZIIBBACAQQ-KBPBESRZSA-N 2 0 269.433 1.613 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CC[NH2+]C(C)(C)C2)cc1 ZINC000335197701 150396719 /nfs/dbraw/zinc/39/67/19/150396719.db2.gz USKSOMILPVXMIR-GFCCVEGCSA-N 2 0 290.411 1.600 10 0 CDAERP C[NH2+]C1CCN(C(=O)[C@@H]([NH3+])c2ccc(C)cc2)CC1 ZINC000336112901 151279107 /nfs/dbraw/zinc/27/91/07/151279107.db2.gz MVLGXUJXHXZJEM-AWEZNQCLSA-N 2 0 261.369 1.205 10 0 CDAERP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000234243357 289295465 /nfs/dbraw/zinc/29/54/65/289295465.db2.gz PZMXWPMTMPBBEC-CHWSQXEVSA-N 2 0 267.417 1.317 10 0 CDAERP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(C(=O)OC)n(C)c2)C1 ZINC000346636341 153251715 /nfs/dbraw/zinc/25/17/15/153251715.db2.gz ALRIKHARPBAKHT-LBPRGKRZSA-N 2 0 279.384 1.243 10 0 CDAERP C/C=C/C[C@@H](CO)[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000349853755 154241719 /nfs/dbraw/zinc/24/17/19/154241719.db2.gz SWUHUQFAYPVFFI-BWPKMQGJSA-N 2 0 286.379 1.992 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](Cc2cnnn2C)CC1 ZINC000350183566 154347382 /nfs/dbraw/zinc/34/73/82/154347382.db2.gz IDVVLGXAHCOXIG-UHFFFAOYSA-N 2 0 265.405 1.369 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)CC1([NH3+])CC1)c1ccc(F)cc1 ZINC000662680420 413298894 /nfs/dbraw/zinc/29/88/94/413298894.db2.gz UZDQZHWNPYQVSY-ZDUSSCGKSA-N 2 0 279.359 1.426 10 0 CDAERP CC(C)([NH3+])c1cc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)on1 ZINC000662681617 413304659 /nfs/dbraw/zinc/30/46/59/413304659.db2.gz KFPKMUUBSINYCD-MNOVXSKESA-N 2 0 292.383 1.225 10 0 CDAERP CC(C)([NH3+])c1cc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)on1 ZINC000662688281 413314114 /nfs/dbraw/zinc/31/41/14/413314114.db2.gz NPXRZNCGYXVHSR-QWRGUYRKSA-N 2 0 292.383 1.225 10 0 CDAERP [NH3+][C@@H](Cc1cn([C@H]2CC[NH2+]C2)nn1)c1ccccc1 ZINC000656467372 413320487 /nfs/dbraw/zinc/32/04/87/413320487.db2.gz QBNPUOMCIXCAKA-KBPBESRZSA-N 2 0 257.341 1.055 10 0 CDAERP COc1c[nH+]ccc1N1CC[NH+](C[C@@H]2C[C@H]2C)CC1 ZINC000355655455 157169838 /nfs/dbraw/zinc/16/98/38/157169838.db2.gz TWMLISNLISVYIS-OLZOCXBDSA-N 2 0 261.369 1.868 10 0 CDAERP CCN(C(=O)N[C@@H]1C[NH+](C2CC2)C[C@@H]1C)[C@@H]1CC[N@H+](C)C1 ZINC000664406997 413355011 /nfs/dbraw/zinc/35/50/11/413355011.db2.gz VTBNVTIBLRXAMT-NWANDNLSSA-N 2 0 294.443 1.205 10 0 CDAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3nn(C)cc32)C1 ZINC000358927967 158075396 /nfs/dbraw/zinc/07/53/96/158075396.db2.gz DRHJVLGQTDPMOR-GXTWGEPZSA-N 2 0 262.401 1.729 10 0 CDAERP CC[NH+](CC)CC1CC[NH+]([C@H](C(=O)OC)C2CC2)CC1 ZINC000359587022 158299361 /nfs/dbraw/zinc/29/93/61/158299361.db2.gz DYBYSGBIXRPGHL-HNNXBMFYSA-N 2 0 282.428 1.992 10 0 CDAERP [NH3+]C1(CC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000662716252 413372182 /nfs/dbraw/zinc/37/21/82/413372182.db2.gz PRFCVECUJIHHNZ-OAHLLOKOSA-N 2 0 293.455 1.982 10 0 CDAERP CN(C(=O)c1cccc2c1CC[NH2+]C2)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000662719874 413377160 /nfs/dbraw/zinc/37/71/60/413377160.db2.gz MCMQJUSYIFLLSB-OAHLLOKOSA-N 2 0 299.418 1.641 10 0 CDAERP CC1=CC[N@H+](CCNC(=O)N2CC[C@H](C[NH+](C)C)C2)CC1 ZINC000362072771 159059676 /nfs/dbraw/zinc/05/96/76/159059676.db2.gz QEMTWGFRSYSTEM-OAHLLOKOSA-N 2 0 294.443 1.232 10 0 CDAERP CC[C@H]([NH2+]C)C(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000662743976 413416561 /nfs/dbraw/zinc/41/65/61/413416561.db2.gz BFTMJOPNUXBXLT-AGIUHOORSA-N 2 0 255.406 1.173 10 0 CDAERP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)C(=O)N(C)C ZINC000020308996 171143289 /nfs/dbraw/zinc/14/32/89/171143289.db2.gz UPYPEMXOBLMMTK-CHWSQXEVSA-N 2 0 257.422 1.563 10 0 CDAERP [NH3+]Cc1ccccc1NC(=O)CCC[NH+]1CCCC1 ZINC000022155742 171362712 /nfs/dbraw/zinc/36/27/12/171362712.db2.gz UQIAISCCZUSHAG-UHFFFAOYSA-N 2 0 261.369 1.960 10 0 CDAERP [NH3+]CC1(CCNC(=O)[C@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000653215960 412143128 /nfs/dbraw/zinc/14/31/28/412143128.db2.gz LQWKWZYRGNXFEB-GFCCVEGCSA-N 2 0 281.787 1.585 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000653176330 412116524 /nfs/dbraw/zinc/11/65/24/412116524.db2.gz QQLPEYKVMIJMJI-OAHLLOKOSA-N 2 0 269.433 1.470 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+] ZINC000653214893 412143067 /nfs/dbraw/zinc/14/30/67/412143067.db2.gz GFUSNDZNNZGXMC-WFASDCNBSA-N 2 0 277.412 1.642 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000653215698 412144015 /nfs/dbraw/zinc/14/40/15/412144015.db2.gz XNMFPYUNPVHNOU-IUODEOHRSA-N 2 0 275.396 1.410 10 0 CDAERP [NH3+]CC1(CCNC(=O)c2ccc3c(c2)C[NH2+]C3)CC1 ZINC000653221415 412148371 /nfs/dbraw/zinc/14/83/71/412148371.db2.gz WDBQZKMVGNLQFD-UHFFFAOYSA-N 2 0 259.353 1.149 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCc2ccc(C[NH3+])cc2F)CC[NH2+]1 ZINC000653223384 412149257 /nfs/dbraw/zinc/14/92/57/412149257.db2.gz LRWQLSZSBBGWCW-JQWIXIFHSA-N 2 0 279.359 1.289 10 0 CDAERP CC[N@@H+]1C[C@@H](C)N(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C[C@H]1C ZINC000654662622 413553676 /nfs/dbraw/zinc/55/36/76/413553676.db2.gz WLRGRVIZAHSMSP-TUVASFSCSA-N 2 0 296.459 1.451 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000654663739 413558951 /nfs/dbraw/zinc/55/89/51/413558951.db2.gz WAVUSJLINIJJKV-KFWWJZLASA-N 2 0 296.459 1.452 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000662852497 413604561 /nfs/dbraw/zinc/60/45/61/413604561.db2.gz KWWZLSAASWSJON-BARDWOONSA-N 2 0 293.455 1.896 10 0 CDAERP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662843326 413593789 /nfs/dbraw/zinc/59/37/89/413593789.db2.gz SSUYORNEVPPFDT-YUELXQCFSA-N 2 0 281.444 1.598 10 0 CDAERP COC[C@H](C)C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656786136 413663987 /nfs/dbraw/zinc/66/39/87/413663987.db2.gz LDIUYXIRXJIEJK-UKRRQHHQSA-N 2 0 254.418 1.981 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C2CCC([NH3+])CC2)C1 ZINC000662851789 413606696 /nfs/dbraw/zinc/60/66/96/413606696.db2.gz FBULZRQPVJQSOM-BPCQOVAHSA-N 2 0 267.417 1.493 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000664719130 413614786 /nfs/dbraw/zinc/61/47/86/413614786.db2.gz OCGVCICKKVBWAL-DOMZBBRYSA-N 2 0 267.417 1.223 10 0 CDAERP C[NH+](C)CC[C@H](NC(=O)N1CC2CC1(C[NH3+])C2)C(C)(C)C ZINC000659456680 413844515 /nfs/dbraw/zinc/84/45/15/413844515.db2.gz QLAPUEJXVHKGJK-UYJPIKCFSA-N 2 0 296.459 1.486 10 0 CDAERP CC1CC[NH+](CCCNC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)CC1 ZINC000407360470 413941725 /nfs/dbraw/zinc/94/17/25/413941725.db2.gz HFMIHPGFZAXICT-CVEARBPZSA-N 2 0 293.455 1.755 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000659511072 413907524 /nfs/dbraw/zinc/90/75/24/413907524.db2.gz NZLQORUVJUHKRB-JHJVBQTASA-N 2 0 270.421 1.047 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+])c1ccccn1 ZINC000665232062 413956542 /nfs/dbraw/zinc/95/65/42/413956542.db2.gz FDNCHUYCNVNMQO-UKTARXLSSA-N 2 0 263.385 1.527 10 0 CDAERP CO[C@H](C[NH2+]C1CCC(C[NH3+])CC1)[C@@H]1CCOC1 ZINC000665234713 413957516 /nfs/dbraw/zinc/95/75/16/413957516.db2.gz JDWUIIMSNDHKLD-FKZOYECMSA-N 2 0 256.390 1.145 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1)C1CC1 ZINC000407431978 413962095 /nfs/dbraw/zinc/96/20/95/413962095.db2.gz POAGERFXEDVLHP-UONOGXRCSA-N 2 0 265.401 1.118 10 0 CDAERP Cc1cccc(C[NH+]2CCN(C[C@H](C)C[NH3+])CC2)c1 ZINC000037048994 172914626 /nfs/dbraw/zinc/91/46/26/172914626.db2.gz ZVVFLMMIGJUCIR-OAHLLOKOSA-N 2 0 261.413 1.707 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000659619611 414028903 /nfs/dbraw/zinc/02/89/03/414028903.db2.gz PWPQYSRWVLZTLS-HIFRSBDPSA-N 2 0 282.432 1.145 10 0 CDAERP C[C@H]([NH2+][C@@H]1CN2CCC1CC2)[C@@H]1CCC[N@H+](C)C1 ZINC000037210058 173031596 /nfs/dbraw/zinc/03/15/96/173031596.db2.gz GLFALEPQFFHHBV-NWANDNLSSA-N 2 0 251.418 1.401 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCC1CC1 ZINC001665764652 1173056195 /nfs/dbraw/zinc/05/61/95/1173056195.db2.gz DNMGFPRGZMCHDO-KGLIPLIRSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@@H]1CCC[C@@H](C)C1[NH2+]CCN1CC[NH+](C)CC1 ZINC000037496868 173235729 /nfs/dbraw/zinc/23/57/29/173235729.db2.gz PNMTUESOYKPMMR-ZIAGYGMSSA-N 2 0 253.434 1.648 10 0 CDAERP CC[N@H+](Cc1ccc2c(c1)OCO2)C1CC[NH2+]CC1 ZINC000037538549 173258825 /nfs/dbraw/zinc/25/88/25/173258825.db2.gz MSFVUZOTJRAVFL-UHFFFAOYSA-N 2 0 262.353 1.989 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000665358595 414100875 /nfs/dbraw/zinc/10/08/75/414100875.db2.gz KRZDYAVOEKCQTM-CQSZACIVSA-N 2 0 298.475 1.842 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccccc2-n2cncn2)C1 ZINC000655826963 414236680 /nfs/dbraw/zinc/23/66/80/414236680.db2.gz JVNICANDTVZRAX-OTVXOJSOSA-N 2 0 285.395 1.697 10 0 CDAERP CCC(=O)N1CCC([NH2+]C2CC([NH+](C)C)C2)CC1 ZINC000655792370 414177656 /nfs/dbraw/zinc/17/76/56/414177656.db2.gz GSDXDBMILFIWJO-UHFFFAOYSA-N 2 0 253.390 1.070 10 0 CDAERP O[C@@]1(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CCCOC1 ZINC000659944583 414284816 /nfs/dbraw/zinc/28/48/16/414284816.db2.gz MSQRWDHWKANGMV-JKSUJKDBSA-N 2 0 282.428 1.478 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H](N(C)C(=O)N(C)C)C2)CC[NH2+]1 ZINC000663501489 414301256 /nfs/dbraw/zinc/30/12/56/414301256.db2.gz WMAGYGFZSUETEB-MCIONIFRSA-N 2 0 282.432 1.062 10 0 CDAERP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](OC)[C@H]2CCOC2)C1 ZINC000659976198 414314357 /nfs/dbraw/zinc/31/43/57/414314357.db2.gz REXRPJDNJWMQAN-JYJNAYRXSA-N 2 0 284.444 1.702 10 0 CDAERP CC[C@H]1C[C@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)CO1 ZINC000657459087 414354155 /nfs/dbraw/zinc/35/41/55/414354155.db2.gz SQVJMEBTHSVQOR-KBPBESRZSA-N 2 0 269.433 1.170 10 0 CDAERP CO[C@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)C1CC1 ZINC000657474250 414370471 /nfs/dbraw/zinc/37/04/71/414370471.db2.gz DEKOQGVYCMZUDE-OAHLLOKOSA-N 2 0 272.352 1.782 10 0 CDAERP C[C@H]1CCC[C@@]1(O)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657475709 414372464 /nfs/dbraw/zinc/37/24/64/414372464.db2.gz DBCWUUGZLNPDDV-XJKSGUPXSA-N 2 0 286.379 1.908 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000314985908 414392556 /nfs/dbraw/zinc/39/25/56/414392556.db2.gz YFPGVXLJYXUEQF-NXOAAHMSSA-N 2 0 298.471 1.703 10 0 CDAERP NC(=O)C[N@H+](Cc1cccc2c1CC[NH2+]C2)C1CCCC1 ZINC000662250275 414585728 /nfs/dbraw/zinc/58/57/28/414585728.db2.gz CWOLQYSPGMWEEZ-UHFFFAOYSA-N 2 0 287.407 1.562 10 0 CDAERP C[C@@H]1C[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)C[C@@H](C)S1 ZINC000662255449 414589233 /nfs/dbraw/zinc/58/92/33/414589233.db2.gz YOZPPLWZVTUYLU-UTUOFQBUSA-N 2 0 256.415 1.333 10 0 CDAERP CC[NH+]1CCC([C@@H](C)[NH2+]C[C@@H]2COCCO2)CC1 ZINC000038060780 174071869 /nfs/dbraw/zinc/07/18/69/174071869.db2.gz LDNXRMPRKVXFHE-TZMCWYRMSA-N 2 0 256.390 1.112 10 0 CDAERP CC[NH+]1CCC(N[C@H](C)[C@H]2CCC[N@H+](C)C2)CC1 ZINC000038098045 174112846 /nfs/dbraw/zinc/11/28/46/174112846.db2.gz WZFLQCMUXAMPIU-KGLIPLIRSA-N 2 0 253.434 1.791 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)[C@@H]([NH3+])CC(C)C)CC1 ZINC000038100750 174115457 /nfs/dbraw/zinc/11/54/57/174115457.db2.gz UNYNOXXXVAXQBV-AWEZNQCLSA-N 2 0 269.433 1.693 10 0 CDAERP CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]CCc2nccn2C)C1 ZINC000040639016 174363366 /nfs/dbraw/zinc/36/33/66/174363366.db2.gz FDAJXELUUKEHFV-ZIAGYGMSSA-N 2 0 264.417 1.673 10 0 CDAERP CC[N@H+](CCCOCC(F)(F)F)CCC(N)=[NH2+] ZINC000042452837 174744862 /nfs/dbraw/zinc/74/48/62/174744862.db2.gz DBFLTLUTGREZDB-UHFFFAOYSA-N 2 0 255.284 1.603 10 0 CDAERP CC[C@@H]([NH3+])[C@H](c1cccnc1)N1CCC([NH+](C)C)CC1 ZINC000043346807 175017491 /nfs/dbraw/zinc/01/74/91/175017491.db2.gz KVDQVCKYJPNADN-CVEARBPZSA-N 2 0 276.428 1.886 10 0 CDAERP CC[C@H]([NH3+])[C@H](c1cccnc1)N1CC[NH+](CC2CC2)CC1 ZINC000043347675 175018079 /nfs/dbraw/zinc/01/80/79/175018079.db2.gz MAIMTIBGOMNIAP-IRXDYDNUSA-N 2 0 288.439 1.888 10 0 CDAERP C[C@H]([NH3+])[C@@H](c1cccnc1)N1CC[NH+](CC2CC2)CC1 ZINC000043347663 175018266 /nfs/dbraw/zinc/01/82/66/175018266.db2.gz BHCCEPRPSUIWRX-BBRMVZONSA-N 2 0 274.412 1.498 10 0 CDAERP C[C@H]([NH3+])[C@H](c1ccncc1)N1CCC(C[NH+](C)C)CC1 ZINC000043354411 175021661 /nfs/dbraw/zinc/02/16/61/175021661.db2.gz QNXLBLOKQDICRH-XJKSGUPXSA-N 2 0 276.428 1.744 10 0 CDAERP C[C@@H]([NH3+])[C@H](N1CCC(C[NH+](C)C)CC1)C(F)(F)F ZINC000043378694 175030923 /nfs/dbraw/zinc/03/09/23/175030923.db2.gz UHOSBQBTDWPQCP-KOLCDFICSA-N 2 0 267.339 1.538 10 0 CDAERP CC[NH2+]CCCNC(=O)[C@@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000043559858 175065678 /nfs/dbraw/zinc/06/56/78/175065678.db2.gz SOIKGGJYMBJOOQ-RWMBFGLXSA-N 2 0 255.406 1.364 10 0 CDAERP CN1CCC([N@H+](C)CCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000043591776 175073938 /nfs/dbraw/zinc/07/39/38/175073938.db2.gz AOLMSNTZZKTGML-AWEZNQCLSA-N 2 0 253.434 1.792 10 0 CDAERP C(C[C@H]1CCC[NH2+]C1)C[NH+]1CCN(C2CC2)CC1 ZINC000043601581 175077667 /nfs/dbraw/zinc/07/76/67/175077667.db2.gz YAPOTRAXABPPEJ-CQSZACIVSA-N 2 0 251.418 1.546 10 0 CDAERP CCC[NH2+][C@H](CN1CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000043811005 175110579 /nfs/dbraw/zinc/11/05/79/175110579.db2.gz MXKQXLROYOIYLR-QGZVFWFLSA-N 2 0 291.439 1.983 10 0 CDAERP C[NH2+][C@H](CN(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000043815174 175111500 /nfs/dbraw/zinc/11/15/00/175111500.db2.gz OKQURFRAFYDTAK-MRXNPFEDSA-N 2 0 261.413 1.973 10 0 CDAERP CC[NH2+][C@H]1CCCC[C@@H]1N1CC[NH+](C(C)C)CC1 ZINC000043897114 175120124 /nfs/dbraw/zinc/12/01/24/175120124.db2.gz CCVYXJRVABKVSA-GJZGRUSLSA-N 2 0 253.434 1.933 10 0 CDAERP CCC[NH2+][C@@H]1CCOC[C@@H]1N(CC[NH+](C)C)CC(C)C ZINC000043982404 175134267 /nfs/dbraw/zinc/13/42/67/175134267.db2.gz GXQOERVZJAHKLE-CVEARBPZSA-N 2 0 285.476 1.663 10 0 CDAERP [NH3+]C[C@@H]1CCC[N@H+](CCC(=O)NC2CCCCC2)C1 ZINC000044529826 175194106 /nfs/dbraw/zinc/19/41/06/175194106.db2.gz PUHCSMMWSTZHNP-ZDUSSCGKSA-N 2 0 267.417 1.496 10 0 CDAERP CCC[NH+]1CCC([C@@H](C)[NH2+]CCC(=O)NC)CC1 ZINC000044989197 175285432 /nfs/dbraw/zinc/28/54/32/175285432.db2.gz RPYFTCDPDRTLLA-GFCCVEGCSA-N 2 0 255.406 1.223 10 0 CDAERP CCN[C@](C)(C[NH+]1CCC(C[NH+](C)C)CC1)C(=O)OCC ZINC000045277028 175346230 /nfs/dbraw/zinc/34/62/30/175346230.db2.gz LCNWBFNUNXHBNR-MRXNPFEDSA-N 2 0 299.459 1.191 10 0 CDAERP CC[NH2+][C@H]1CCN([C@@H](CC(C)C)C[NH+](C)C)C1=O ZINC000071031997 176022982 /nfs/dbraw/zinc/02/29/82/176022982.db2.gz QRKGJFOROWXKNF-STQMWFEESA-N 2 0 255.406 1.173 10 0 CDAERP CCC[NH2+][C@@H]1CCCN([C@@H]2CCC[N@H+](CC)C2)C1=O ZINC000071033617 176024064 /nfs/dbraw/zinc/02/40/64/176024064.db2.gz WPEUKJGVNLWEJB-ZIAGYGMSSA-N 2 0 267.417 1.461 10 0 CDAERP CN(C[C@H]1CC[N@H+](C)C1)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000071188072 176061345 /nfs/dbraw/zinc/06/13/45/176061345.db2.gz BIJLKZSMQZUQJS-WFASDCNBSA-N 2 0 265.376 1.709 10 0 CDAERP CN(C[C@H]1CC[N@H+](C)C1)C(=O)C1(C[NH3+])CCCCC1 ZINC000071189082 176064901 /nfs/dbraw/zinc/06/49/01/176064901.db2.gz WSDWKAJDWRXDDZ-ZDUSSCGKSA-N 2 0 267.417 1.306 10 0 CDAERP CCC[NH2+]Cc1c(C)nn(C)c1N(C)C[C@H]1CC[N@H+](C)C1 ZINC000071190050 176065573 /nfs/dbraw/zinc/06/55/73/176065573.db2.gz UWKNYFXAWXDVCB-AWEZNQCLSA-N 2 0 293.459 1.616 10 0 CDAERP CC[NH2+]C[C@@](C)(CC)CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191479 176069496 /nfs/dbraw/zinc/06/94/96/176069496.db2.gz DLFDWESZBJKMGE-HUUCEWRRSA-N 2 0 255.450 1.896 10 0 CDAERP CC(C)[NH2+]C[C@@H](C(C)C)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191967 176071874 /nfs/dbraw/zinc/07/18/74/176071874.db2.gz GBDQUJBKSFLZFR-CABCVRRESA-N 2 0 255.450 1.893 10 0 CDAERP CCC[NH2+]Cc1ccc(N(C)C[C@@H]2CC[N@H+](C)C2)nn1 ZINC000071191682 176072626 /nfs/dbraw/zinc/07/26/26/176072626.db2.gz JBKSQMVPPALIJM-CYBMUJFWSA-N 2 0 277.416 1.364 10 0 CDAERP CC(C)[NH2+][C@@H]1CCCN([C@@H]2C[NH+]3CCC2CC3)C1 ZINC000071197097 176076702 /nfs/dbraw/zinc/07/67/02/176076702.db2.gz IPKPQEQWVPZBHR-HUUCEWRRSA-N 2 0 251.418 1.543 10 0 CDAERP C1CC1[NH2+][C@H]1CCCN([C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000071201225 176077670 /nfs/dbraw/zinc/07/76/70/176077670.db2.gz OQUVZCFATPPXHD-HRCADAONSA-N 2 0 263.429 1.830 10 0 CDAERP CC(C)[NH2+][C@@H]1CCCN([C@@H](C)C[NH+]2CCCC2)C1 ZINC000071201232 176077900 /nfs/dbraw/zinc/07/79/00/176077900.db2.gz MQRCZTFRPPOAHJ-LSDHHAIUSA-N 2 0 253.434 1.933 10 0 CDAERP CC[NH2+]CCCCCC[NH+]1CCN(C2CC2)CC1 ZINC000071286676 176109661 /nfs/dbraw/zinc/10/96/61/176109661.db2.gz KAIUZXDNLBELSX-UHFFFAOYSA-N 2 0 253.434 1.936 10 0 CDAERP CC(C)(O)C[NH+]1CCN([C@H](C[NH3+])c2ccccc2)CC1 ZINC000071380218 176144224 /nfs/dbraw/zinc/14/42/24/176144224.db2.gz VXYFFUDRYYERJB-OAHLLOKOSA-N 2 0 277.412 1.075 10 0 CDAERP CC(C)(C)[NH+]1CCC(NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2[NH3+])CC1 ZINC000079528280 177516252 /nfs/dbraw/zinc/51/62/52/177516252.db2.gz XPOXMHVGFOHJJQ-OSRDXIQISA-N 2 0 293.455 1.739 10 0 CDAERP COc1ccc(C[NH+]2CCC(C(N)=[NH2+])CC2)cc1F ZINC000079843058 177569414 /nfs/dbraw/zinc/56/94/14/177569414.db2.gz AMZHRMYMQWSEQA-UHFFFAOYSA-N 2 0 265.332 1.982 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NC2(C[NH2+]C/C=C/Cl)CCCC2)C1 ZINC001665964634 1173093466 /nfs/dbraw/zinc/09/34/66/1173093466.db2.gz ZIUJILIEHCRGLC-GBVBUYCNSA-N 2 0 299.846 1.709 10 0 CDAERP CCCC[NH2+]C[C@@](C)(NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001666031793 1173103022 /nfs/dbraw/zinc/10/30/22/1173103022.db2.gz JGGBGHOBJVJISQ-MRXNPFEDSA-N 2 0 293.455 1.757 10 0 CDAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000417932065 227219853 /nfs/dbraw/zinc/21/98/53/227219853.db2.gz MAAZHHCIAQJUKW-PPWQZUPISA-N 2 0 296.459 1.404 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)CC[NH2+]1 ZINC000518373566 260387907 /nfs/dbraw/zinc/38/79/07/260387907.db2.gz ZSZOLDVEHHJEES-QEJZJMRPSA-N 2 0 293.455 1.611 10 0 CDAERP CCn1nccc1C[N@H+](CCO)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414765475 263040958 /nfs/dbraw/zinc/04/09/58/263040958.db2.gz ZUWVXYUDAMFGBB-KGLIPLIRSA-N 2 0 280.416 1.085 10 0 CDAERP Cc1nocc1C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000662246644 423787166 /nfs/dbraw/zinc/78/71/66/423787166.db2.gz ABVCFXVDOSRXME-UHFFFAOYSA-N 2 0 253.346 1.313 10 0 CDAERP CCn1ccnc1[C@@H]1CCCCN1C[C@@H]1C[NH2+]CCO1 ZINC000662276915 423850329 /nfs/dbraw/zinc/85/03/29/423850329.db2.gz ACJRPYBZCRCQDU-KBPBESRZSA-N 2 0 278.400 1.418 10 0 CDAERP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@H]2CCCCO2)CCO1 ZINC000662316116 423947443 /nfs/dbraw/zinc/94/74/43/423947443.db2.gz IKJITRFXVFWWTA-HUUCEWRRSA-N 2 0 270.417 1.598 10 0 CDAERP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cccc2c1OCO2 ZINC000663497639 423890629 /nfs/dbraw/zinc/89/06/29/423890629.db2.gz DOPBVDCWWDPJRI-GFCCVEGCSA-N 2 0 250.342 1.878 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N(CC)[C@@H]1CC[NH+](CC)C1 ZINC000663940968 424066752 /nfs/dbraw/zinc/06/67/52/424066752.db2.gz HWWIJIWUGSUKKW-LSDHHAIUSA-N 2 0 298.475 1.842 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652240979 424122621 /nfs/dbraw/zinc/12/26/21/424122621.db2.gz RTBFDARBMQKIQV-CQSZACIVSA-N 2 0 296.459 1.489 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)CN1CC[C@]2(O)CCCC[C@H]2C1 ZINC000312535296 424163064 /nfs/dbraw/zinc/16/30/64/424163064.db2.gz KJGNAJBRNIKXKP-HRCADAONSA-N 2 0 284.444 1.315 10 0 CDAERP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662589808 424207108 /nfs/dbraw/zinc/20/71/08/424207108.db2.gz FHRSMQUBIBZXHE-MELADBBJSA-N 2 0 281.444 1.611 10 0 CDAERP [NH3+]C[C@H](NC(=O)CC1(C[NH3+])CCCCC1)C(F)(F)F ZINC000655516587 424180535 /nfs/dbraw/zinc/18/05/35/424180535.db2.gz WLLFPOJKOPKVJD-VIFPVBQESA-N 2 0 281.322 1.292 10 0 CDAERP C[C@@H]1CN(C)C[C@H]1[NH2+][C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000651966199 424252654 /nfs/dbraw/zinc/25/26/54/424252654.db2.gz WIKIHSYNEGXJLK-MIGQKNRLSA-N 2 0 275.396 1.841 10 0 CDAERP c1nncn1CC1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000652353565 424285994 /nfs/dbraw/zinc/28/59/94/424285994.db2.gz QQFWRPIITGIZDW-UHFFFAOYSA-N 2 0 277.416 1.380 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662685083 424313819 /nfs/dbraw/zinc/31/38/19/424313819.db2.gz PFUBHZHRAGWNCO-CYBMUJFWSA-N 2 0 281.444 1.741 10 0 CDAERP C[C@@H]1CC[C@@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)CS1 ZINC000655686980 424385906 /nfs/dbraw/zinc/38/59/06/424385906.db2.gz GVPHAQZPFGQKKU-UKRRQHHQSA-N 2 0 285.501 1.886 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+]Cc1cc2n(n1)CCCC2 ZINC000655759623 424449569 /nfs/dbraw/zinc/44/95/69/424449569.db2.gz DINTVBYYGZMYBR-UHFFFAOYSA-N 2 0 294.443 1.667 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CC[C@@H](C)SC1)N1CC[NH+](C)CC1 ZINC000655715061 424484911 /nfs/dbraw/zinc/48/49/11/424484911.db2.gz IMPAICHVIQEJPP-MGPQQGTHSA-N 2 0 271.474 1.496 10 0 CDAERP O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)C1([NH2+]C2CC2)CCC1 ZINC000662835609 424517914 /nfs/dbraw/zinc/51/79/14/424517914.db2.gz PYQJQINDRHHRHU-LSDHHAIUSA-N 2 0 291.439 1.794 10 0 CDAERP CO[C@H](C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)[C@H]1CCOC1 ZINC000665235681 424470258 /nfs/dbraw/zinc/47/02/58/424470258.db2.gz YQSMAXQZHMKBCG-DETPVDSQSA-N 2 0 293.411 1.551 10 0 CDAERP CC(C)C[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001667441163 1173268188 /nfs/dbraw/zinc/26/81/88/1173268188.db2.gz UBFAXIHDIJSQSJ-KGLIPLIRSA-N 2 0 269.433 1.467 10 0 CDAERP CC1(C)CC(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000530218330 271160498 /nfs/dbraw/zinc/16/04/98/271160498.db2.gz MEMLGMMGOSHBTN-AWEZNQCLSA-N 2 0 251.418 1.402 10 0 CDAERP CC(C)C[C@@H]([NH3+])CN1CCC(C)([NH+]2CCOCC2)CC1 ZINC000530244812 271180145 /nfs/dbraw/zinc/18/01/45/271180145.db2.gz PBTSPEYCWYYBDE-OAHLLOKOSA-N 2 0 283.460 1.547 10 0 CDAERP C(C[NH2+][C@H]1CC[C@@H]1C1CCC1)CN1CC[NH2+]CC1 ZINC000423184231 275725248 /nfs/dbraw/zinc/72/52/48/275725248.db2.gz LXHLGHCJNBAAOK-CABCVRRESA-N 2 0 251.418 1.450 10 0 CDAERP CC1(C)CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC[NH2+]1 ZINC000417825926 276125722 /nfs/dbraw/zinc/12/57/22/276125722.db2.gz CTOLUDWJYCVNRE-XQQFMLRXSA-N 2 0 265.401 1.118 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+]3CCCC[C@H]3C2)C1 ZINC000246476946 276166509 /nfs/dbraw/zinc/16/65/09/276166509.db2.gz REKWZWMYYWNNDP-CABCVRRESA-N 2 0 294.443 1.350 10 0 CDAERP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](C)CC[C@@H]2C)CC1 ZINC000362480657 276359272 /nfs/dbraw/zinc/35/92/72/276359272.db2.gz ULSXCOLSVFMQCP-KGLIPLIRSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H](CC[NH2+]CC1CC(C)(C)C1)NC(=O)Cc1c[nH]cn1 ZINC001668224132 1173384551 /nfs/dbraw/zinc/38/45/51/1173384551.db2.gz LYQVGLSCTXGSPH-LBPRGKRZSA-N 2 0 292.427 1.873 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCC(=O)N2CCCCC2)[C@@H]2CCC[C@H]21 ZINC000367625302 277170527 /nfs/dbraw/zinc/17/05/27/277170527.db2.gz LCXQZLLECLYSOQ-HRCADAONSA-N 2 0 293.455 1.851 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCNc2ccccn2)[C@@H]2CCC[C@H]21 ZINC000367615531 277171123 /nfs/dbraw/zinc/17/11/23/277171123.db2.gz LFZIXCZOXQWYEZ-SOUVJXGZSA-N 2 0 274.412 1.956 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC[C@H]2O)[C@H]2CCC[C@H]21 ZINC000453393040 277171615 /nfs/dbraw/zinc/17/16/15/277171615.db2.gz ZOFXPPNEEUBPAX-ZVDSWSACSA-N 2 0 266.429 2.000 10 0 CDAERP CC(C)C[NH+]1CCC(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000236771882 277385706 /nfs/dbraw/zinc/38/57/06/277385706.db2.gz DTPGUQUTQJJZSJ-CHWSQXEVSA-N 2 0 267.417 1.350 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H]3COCC[C@H]32)CC[NH2+]1 ZINC000414743563 278011236 /nfs/dbraw/zinc/01/12/36/278011236.db2.gz HIJMVROODURQMR-KBUPBQIOSA-N 2 0 252.402 1.875 10 0 CDAERP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCC(=O)NC2(C)C)cc1 ZINC000423293413 278232217 /nfs/dbraw/zinc/23/22/17/278232217.db2.gz RHJQEXRNLQCTJI-SMDDNHRTSA-N 2 0 275.396 1.853 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@H]1C ZINC000347575745 278367093 /nfs/dbraw/zinc/36/70/93/278367093.db2.gz XZOMYVLKGYOUEQ-UONOGXRCSA-N 2 0 293.455 1.707 10 0 CDAERP CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)[C@@H]1C[C@H]1C ZINC000333347976 288065383 /nfs/dbraw/zinc/06/53/83/288065383.db2.gz ZRUUWSFJSOIIKW-AQFIFQLPSA-N 2 0 293.455 1.657 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000418554932 279150342 /nfs/dbraw/zinc/15/03/42/279150342.db2.gz DKZFLOSVOLLICC-BFHYXJOUSA-N 2 0 282.432 1.110 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CC[NH+](CCOC(C)C)CC1 ZINC000414713639 279179713 /nfs/dbraw/zinc/17/97/13/279179713.db2.gz VARNGYUIYQLYGE-HNNXBMFYSA-N 2 0 271.449 1.402 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000104405297 279276069 /nfs/dbraw/zinc/27/60/69/279276069.db2.gz ZDJUCQMSYFGOLE-INIZCTEOSA-N 2 0 293.455 1.948 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000261564565 279335555 /nfs/dbraw/zinc/33/55/55/279335555.db2.gz DCCIHXHHERKSIS-QWHCGFSZSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000354821546 288126754 /nfs/dbraw/zinc/12/67/54/288126754.db2.gz XAQBQHGZYZVTSO-IJEWVQPXSA-N 2 0 293.455 1.850 10 0 CDAERP CC[C@@H](CO)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000450442395 280148897 /nfs/dbraw/zinc/14/88/97/280148897.db2.gz WWTKUYVKJPBKOM-IRXDYDNUSA-N 2 0 297.487 1.638 10 0 CDAERP CC[C@@H](NCC[N@@H+]1CCCC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422857369 280187759 /nfs/dbraw/zinc/18/77/59/280187759.db2.gz HFDFZBZRJGGQKN-KFWWJZLASA-N 2 0 253.434 1.981 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H]1CCC[NH+](C)C1 ZINC000245472229 280212274 /nfs/dbraw/zinc/21/22/74/280212274.db2.gz OTTSAKCASAZMKV-HUUCEWRRSA-N 2 0 296.459 1.454 10 0 CDAERP C[N@H+](CCNC(=O)CCCC[NH3+])C1CCCCC1 ZINC000520803609 281053320 /nfs/dbraw/zinc/05/33/20/281053320.db2.gz JBCGSNFFMBSIDA-UHFFFAOYSA-N 2 0 255.406 1.496 10 0 CDAERP Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)NCCC[NH3+])c1 ZINC000361739395 281216193 /nfs/dbraw/zinc/21/61/93/281216193.db2.gz QTMFHYJBMVNTLJ-INIZCTEOSA-N 2 0 289.423 1.815 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000336351013 282049434 /nfs/dbraw/zinc/04/94/34/282049434.db2.gz AXBFWOFCBWOENF-AWEZNQCLSA-N 2 0 265.401 1.166 10 0 CDAERP C[NH+](C)CC1(C(=O)NC[C@H]2CCC[N@@H+]2C)CCCCC1 ZINC000426432408 282063202 /nfs/dbraw/zinc/06/32/02/282063202.db2.gz HGDXQJZVXPGXGL-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP C[NH+](C)C1(CNC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CCCC1 ZINC000334890853 289049564 /nfs/dbraw/zinc/04/95/64/289049564.db2.gz AZUOBLYLBGTTCW-OKILXGFUSA-N 2 0 294.443 1.397 10 0 CDAERP CC(C)[C@@H]1C[C@H]1C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000548185861 289855300 /nfs/dbraw/zinc/85/53/00/289855300.db2.gz QKSCLOWWDVIBEP-UONOGXRCSA-N 2 0 269.433 1.230 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@]1(C)CCCC[C@H]1O ZINC000422824045 293097141 /nfs/dbraw/zinc/09/71/41/293097141.db2.gz MSJZDXHCHPECKB-MJBXVCDLSA-N 2 0 258.406 1.271 10 0 CDAERP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CC1(O)Cc2ccccc2C1 ZINC000564825592 293424695 /nfs/dbraw/zinc/42/46/95/293424695.db2.gz VAFDXMYQVLXBIB-HZPDHXFCSA-N 2 0 274.408 1.623 10 0 CDAERP [NH3+]CCCCC(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000567909034 293904442 /nfs/dbraw/zinc/90/44/42/293904442.db2.gz YPHAYOKTASRLRW-CHWSQXEVSA-N 2 0 253.390 1.106 10 0 CDAERP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000568511881 294050242 /nfs/dbraw/zinc/05/02/42/294050242.db2.gz ZNTKXUKUTMNXJM-CYDGBPFRSA-N 2 0 253.390 1.103 10 0 CDAERP [NH3+]Cc1ccc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)cc1 ZINC000568985383 294134646 /nfs/dbraw/zinc/13/46/46/294134646.db2.gz CRRNUNLTCWDDKL-JYJNAYRXSA-N 2 0 287.407 1.682 10 0 CDAERP COCC[NH2+]C1CC[NH+](C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000570848336 294322440 /nfs/dbraw/zinc/32/24/40/294322440.db2.gz IALYUYWVYIIQOQ-UONOGXRCSA-N 3 0 269.433 1.075 10 0 CDAERP Cc1cc(C)n2c(C[NH2+]C[C@@H]3CCC[NH2+]C3)cnc2n1 ZINC000573936108 294916619 /nfs/dbraw/zinc/91/66/19/294916619.db2.gz KCVDQMJSBZVTQS-CYBMUJFWSA-N 2 0 273.384 1.435 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261710491 299895002 /nfs/dbraw/zinc/89/50/02/299895002.db2.gz JDKYUEXIILQXPG-BYNSBNAKSA-N 2 0 281.444 1.741 10 0 CDAERP CC(C)C(C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)C(C)C ZINC000575040896 295090106 /nfs/dbraw/zinc/09/01/06/295090106.db2.gz UFLQUYPGZPAJGK-HNNXBMFYSA-N 2 0 285.476 1.113 10 0 CDAERP COc1ccc([C@H](N[C@@H](C)C[NH3+])[C@@H]2CCC[NH2+]2)cc1 ZINC000423407152 295245426 /nfs/dbraw/zinc/24/54/26/295245426.db2.gz VLVSIPDOPRDKGO-CQDKDKBSSA-N 2 0 263.385 1.425 10 0 CDAERP C[C@H](CC(=O)N1CCC[C@@H]1C[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC000156177903 298289852 /nfs/dbraw/zinc/28/98/52/298289852.db2.gz YWRTYDQFDCFXBE-RBSFLKMASA-N 2 0 281.444 1.565 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000423437382 298392447 /nfs/dbraw/zinc/39/24/47/298392447.db2.gz QJFUWMVODLWWPQ-BARDWOONSA-N 3 0 253.434 1.966 10 0 CDAERP C[C@H](CN[C@@H]1CCC[NH2+]CC1)C[NH+]1CCCCC1 ZINC000129163446 298782158 /nfs/dbraw/zinc/78/21/58/298782158.db2.gz GKSPKVPEUNAAGG-HUUCEWRRSA-N 2 0 253.434 1.840 10 0 CDAERP C[C@H]([NH3+])c1ccc(C(=O)N2CCC3(CC[NH2+]3)CC2)cc1 ZINC000335407004 299001097 /nfs/dbraw/zinc/00/10/97/299001097.db2.gz ODYJRGRYOSTKNS-LBPRGKRZSA-N 2 0 273.380 1.674 10 0 CDAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCC1CC[NH2+]CC1 ZINC000094461254 300315537 /nfs/dbraw/zinc/31/55/37/300315537.db2.gz HGUXHMTXXGMPCS-DZGCQCFKSA-N 2 0 251.418 1.545 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000417678803 300675103 /nfs/dbraw/zinc/67/51/03/300675103.db2.gz KCWJBXPMNXZBFF-AVGNSLFASA-N 2 0 284.448 1.484 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000237939118 303465817 /nfs/dbraw/zinc/46/58/17/303465817.db2.gz CPSSXBMUORADFB-BZUAXINKSA-N 2 0 293.455 1.981 10 0 CDAERP CCC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001671564492 1173689711 /nfs/dbraw/zinc/68/97/11/1173689711.db2.gz QCDOKUICKMDLEI-CABCVRRESA-N 2 0 281.444 1.613 10 0 CDAERP CC[NH2+]C[C@@]1(C)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001671785875 1173712241 /nfs/dbraw/zinc/71/22/41/1173712241.db2.gz ZHWAFTPQWQVWNT-DZGCQCFKSA-N 2 0 267.417 1.176 10 0 CDAERP CCCC[C@@H](C[NH3+])NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000563625205 316346143 /nfs/dbraw/zinc/34/61/43/316346143.db2.gz UKALYGSCVGLXPT-UONOGXRCSA-N 2 0 269.433 1.885 10 0 CDAERP COCC[NH2+]C1CCN(C(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000566405920 316570664 /nfs/dbraw/zinc/57/06/64/316570664.db2.gz IXUXBWPQGONPRK-GDBMZVCRSA-N 2 0 297.443 1.121 10 0 CDAERP COCC[NH2+]C1CCN(C(=O)[C@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000566405924 316570722 /nfs/dbraw/zinc/57/07/22/316570722.db2.gz IXUXBWPQGONPRK-ZBFHGGJFSA-N 2 0 297.443 1.121 10 0 CDAERP CC(C)[NH+](CCCNC(=O)CC[C@@H](C)[NH3+])C(C)C ZINC000566676487 316655337 /nfs/dbraw/zinc/65/53/37/316655337.db2.gz QCEILOMGDWOXPF-CYBMUJFWSA-N 2 0 257.422 1.739 10 0 CDAERP [NH3+]C[C@@H](c1nc(C2([NH3+])CCC2)no1)c1ccc(F)cc1 ZINC000575802471 317017274 /nfs/dbraw/zinc/01/72/74/317017274.db2.gz PYNCZEAQXRXLBB-LLVKDONJSA-N 2 0 276.315 1.637 10 0 CDAERP Cc1ncc(C[NH2+]CCN2CCCC[C@H]2C)n1C ZINC000577508927 317345484 /nfs/dbraw/zinc/34/54/84/317345484.db2.gz NUNWOAUGGCFBRQ-GFCCVEGCSA-N 2 0 250.390 1.693 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000579368608 324170447 /nfs/dbraw/zinc/17/04/47/324170447.db2.gz HMRLZFLTPJOESP-UKRRQHHQSA-N 2 0 273.380 1.012 10 0 CDAERP C[C@H]([NH2+][C@H](CO)C1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000579461878 324191576 /nfs/dbraw/zinc/19/15/76/324191576.db2.gz HAUUBHXVGIZSBO-AEGPPILISA-N 2 0 254.418 1.905 10 0 CDAERP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCCC2CCCC2)CC1 ZINC000582892345 325063390 /nfs/dbraw/zinc/06/33/90/325063390.db2.gz OTGMMAPHABTMIN-INIZCTEOSA-N 2 0 283.460 1.155 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC(C)([NH2+]CCCF)CC1 ZINC001674001900 1173904709 /nfs/dbraw/zinc/90/47/09/1173904709.db2.gz NCNOPDNGCSTCFC-UHFFFAOYSA-N 2 0 287.423 1.657 10 0 CDAERP Cc1noc(CCC[N@@H+](C)[C@@H]2CCC[NH2+]CC2)n1 ZINC000584113939 327040755 /nfs/dbraw/zinc/04/07/55/327040755.db2.gz QGJOCDWIIFCZIC-GFCCVEGCSA-N 2 0 252.362 1.385 10 0 CDAERP C[C@H](CCCO)C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693726338 1159196109 /nfs/dbraw/zinc/19/61/09/1159196109.db2.gz XHMJAPKWIBQWPW-YIYPIFLZSA-N 2 0 254.418 1.761 10 0 CDAERP C[C@@H](CC[NH2+]CCCF)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001699126562 1176104806 /nfs/dbraw/zinc/10/48/06/1176104806.db2.gz NGFPRJIHRCSXHL-ZDUSSCGKSA-N 2 0 287.423 1.705 10 0 CDAERP CN(CC[NH2+]CC1CCC1)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001731973495 1159492806 /nfs/dbraw/zinc/49/28/06/1159492806.db2.gz BMPAKMHDHOKWEQ-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001420925489 1159605843 /nfs/dbraw/zinc/60/58/43/1159605843.db2.gz KMASWRGKFNBUIC-JKSUJKDBSA-N 2 0 295.471 1.907 10 0 CDAERP CC(C)=CC[NH2+]CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001699532677 1176465794 /nfs/dbraw/zinc/46/57/94/1176465794.db2.gz ZROJAGZXNFOMEX-UHFFFAOYSA-N 2 0 281.444 1.733 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC/C=C\C[NH2+]CC2CC2)C1 ZINC001268614188 1160000077 /nfs/dbraw/zinc/00/00/77/1160000077.db2.gz SWTBQLHEVXDUIC-JGPFYOFESA-N 2 0 293.455 1.779 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]C/C=C\Cl ZINC001732452012 1160580460 /nfs/dbraw/zinc/58/04/60/1160580460.db2.gz DEVXHJPATHUECY-ZHRWSRJISA-N 2 0 275.824 1.517 10 0 CDAERP CC(C)[NH+]1CCC([NH2+]CC(O)(C2CC2)C2CC2)CC1 ZINC000668620108 482492123 /nfs/dbraw/zinc/49/21/23/482492123.db2.gz ZLWQQUIEZODROA-UHFFFAOYSA-N 2 0 266.429 2.000 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000654381765 482564579 /nfs/dbraw/zinc/56/45/79/482564579.db2.gz PIBSQYUSIRWPDS-ZQDZILKHSA-N 2 0 294.443 1.253 10 0 CDAERP C[NH2+]CCN(C)C(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000343429470 482599859 /nfs/dbraw/zinc/59/98/59/482599859.db2.gz BPZKIGFXFXUWRU-UHFFFAOYSA-N 2 0 289.423 1.520 10 0 CDAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)CC(C)(C)[NH3+] ZINC000237011848 482633042 /nfs/dbraw/zinc/63/30/42/482633042.db2.gz JMUJKBNPSILMEK-CQSZACIVSA-N 2 0 277.412 1.403 10 0 CDAERP C[C@@H]1C[C@@H](C)[NH+]1C[C@@H](O)CN(C)Cc1ccccc1 ZINC000684208546 482702112 /nfs/dbraw/zinc/70/21/12/482702112.db2.gz NUSDTQBZVGNXJX-FMKPAKJESA-N 2 0 262.397 1.962 10 0 CDAERP CN(C(=O)CN1CC[C@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000334275054 482713957 /nfs/dbraw/zinc/71/39/57/482713957.db2.gz BRWINXRYTBTSPX-QGZVFWFLSA-N 2 0 287.407 1.725 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)C2([NH3+])CCCC2)CC[N@@H+]1C ZINC000237584795 482732448 /nfs/dbraw/zinc/73/24/48/482732448.db2.gz QNSPFNHCWKYSKV-VXGBXAGGSA-N 2 0 253.390 1.199 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC[N@@H+]1C ZINC000237585983 482733395 /nfs/dbraw/zinc/73/33/95/482733395.db2.gz XLGTYFZWAVQDLU-LPWJVIDDSA-N 2 0 253.390 1.055 10 0 CDAERP CO[C@@H]1CCC[C@@H]([NH2+]CCCC[NH+]2CCOCC2)C1 ZINC000684370001 482776947 /nfs/dbraw/zinc/77/69/47/482776947.db2.gz HTYDAMKWSFWQKP-HUUCEWRRSA-N 2 0 270.417 1.646 10 0 CDAERP CO[C@H]1CCC[C@@H]([NH2+]CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC000684385602 482785698 /nfs/dbraw/zinc/78/56/98/482785698.db2.gz YEXJAOJROZGRHU-CABCVRRESA-N 2 0 284.444 1.769 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1CCC[NH+](C)C1 ZINC000673663263 482805132 /nfs/dbraw/zinc/80/51/32/482805132.db2.gz XNJHFBLBPRECKB-XQQFMLRXSA-N 2 0 253.390 1.070 10 0 CDAERP CC(C)C[C@@H]([NH3+])CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000666614232 482816278 /nfs/dbraw/zinc/81/62/78/482816278.db2.gz XTTUDKSULJFCKD-CABCVRRESA-N 2 0 269.433 1.156 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000228486830 482851478 /nfs/dbraw/zinc/85/14/78/482851478.db2.gz YEOKPKIKSCRMPZ-FMKPAKJESA-N 2 0 283.460 1.987 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]([NH3+])c2ccccc2)C1 ZINC000669403409 482888075 /nfs/dbraw/zinc/88/80/75/482888075.db2.gz ZUCXIJZZZORPMX-UONOGXRCSA-N 2 0 276.384 1.080 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000261637354 482917186 /nfs/dbraw/zinc/91/71/86/482917186.db2.gz AMOMJJNSAOKWDR-ZIAGYGMSSA-N 2 0 279.428 1.354 10 0 CDAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261775000 482923649 /nfs/dbraw/zinc/92/36/49/482923649.db2.gz OQBGVLPPJDXDIP-BFHYXJOUSA-N 2 0 267.417 1.162 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089450916 483077183 /nfs/dbraw/zinc/07/71/83/483077183.db2.gz QELNILCBEOBCLP-JSGCOSHPSA-N 2 0 267.417 1.304 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000089459191 483086021 /nfs/dbraw/zinc/08/60/21/483086021.db2.gz FFLDXDDBRQOMBF-MGPQQGTHSA-N 2 0 267.417 1.208 10 0 CDAERP C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)C[C@@H]1CCOC1 ZINC000667686721 483381722 /nfs/dbraw/zinc/38/17/22/483381722.db2.gz ONWGUVWNQJQCRE-ZDUSSCGKSA-N 2 0 272.352 1.736 10 0 CDAERP C[NH+]1CCC(CC[NH2+][C@@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667853742 483460954 /nfs/dbraw/zinc/46/09/54/483460954.db2.gz NDTABUHPZYVTMD-GJZGRUSLSA-N 2 0 252.402 1.875 10 0 CDAERP C[NH+]1CCC(C)(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667959019 483494808 /nfs/dbraw/zinc/49/48/08/483494808.db2.gz BHLNZSQYAXFLSP-ZIAGYGMSSA-N 2 0 252.402 1.875 10 0 CDAERP C[C@@H](CC[NH2+]CCOC1CCC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001482816763 1160637515 /nfs/dbraw/zinc/63/75/15/1160637515.db2.gz JWFXTDWIRPYXOJ-ZFWWWQNUSA-N 2 0 297.443 1.134 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[C@H]3C[NH+](C)C[C@@H]32)C1 ZINC001649285493 1160730385 /nfs/dbraw/zinc/73/03/85/1160730385.db2.gz ALPYLUADFRYLES-ZQDZILKHSA-N 2 0 294.443 1.110 10 0 CDAERP CC(C)[N@H+](CCCO)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052198094 519644428 /nfs/dbraw/zinc/64/44/28/519644428.db2.gz YBYWSXQROVVAOV-UHFFFAOYSA-N 2 0 284.444 1.628 10 0 CDAERP CC(C)[NH2+]C[C@]1(CN2CCC[C@@H]2C[NH+](C)C)CCOC1 ZINC000061653482 519726250 /nfs/dbraw/zinc/72/62/50/519726250.db2.gz NGNSFARJPNMOGO-CVEARBPZSA-N 2 0 283.460 1.417 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]CCC1CC1 ZINC001671388891 1160978336 /nfs/dbraw/zinc/97/83/36/1160978336.db2.gz HLWRXSNMAUDTOG-OAHLLOKOSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)COCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001700820458 1161003688 /nfs/dbraw/zinc/00/36/88/1161003688.db2.gz CJZNWTBECJCXQR-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP CCC[NH2+]C[C@]1(CN2CCC[C@@H]2C[NH+](C)C)CCOC1 ZINC000061653480 519941083 /nfs/dbraw/zinc/94/10/83/519941083.db2.gz QNNWSBKZUYNOLN-CVEARBPZSA-N 2 0 283.460 1.419 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@H](C[N@H+](CC)C[C@@H]2CCCO2)O1 ZINC000052511039 519980460 /nfs/dbraw/zinc/98/04/60/519980460.db2.gz RRPFLADLOKBDEK-QLFBSQMISA-N 2 0 270.417 1.644 10 0 CDAERP CCC[NH2+][C@@H](C)[C@H]1CCC[N@H+](CCCC(=O)NC)C1 ZINC000068815689 519986538 /nfs/dbraw/zinc/98/65/38/519986538.db2.gz YOESECQQKDRFQC-KBPBESRZSA-N 2 0 269.433 1.613 10 0 CDAERP CC[NH2+]Cc1cc(CN2CC[NH+](C)CC2)c(C)o1 ZINC000052379564 519990961 /nfs/dbraw/zinc/99/09/61/519990961.db2.gz MZFUHWUDVXPATP-UHFFFAOYSA-N 2 0 251.374 1.445 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)N1CC[NH+](CC(C)C)CC1 ZINC000061272629 520061162 /nfs/dbraw/zinc/06/11/62/520061162.db2.gz CZCBCKKZBOKXLO-ZDUSSCGKSA-N 2 0 255.406 1.175 10 0 CDAERP CC[NH2+][C@@](C)(C[C@@H](C)[N@H+](C)CC1CC[NH+](C)CC1)C(=O)[O-] ZINC000068646418 520139976 /nfs/dbraw/zinc/13/99/76/520139976.db2.gz SDHXJWWLKTUWDG-CJNGLKHVSA-N 2 0 299.459 1.491 10 0 CDAERP CCCc1nc(N2CCC[N@H+](C)CC2)sc1C[NH2+]C ZINC000054968965 521532349 /nfs/dbraw/zinc/53/23/49/521532349.db2.gz YZSOZPPXMLTFGQ-UHFFFAOYSA-N 2 0 282.457 1.957 10 0 CDAERP C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC[NH+](CCF)CC1 ZINC001486448904 1161455232 /nfs/dbraw/zinc/45/52/32/1161455232.db2.gz GCIZNTZWFQBJQD-KGLIPLIRSA-N 2 0 299.434 1.514 10 0 CDAERP CCCN(CC[NH+](C)C)c1nc(CC)c(C[NH3+])s1 ZINC000055000573 521658428 /nfs/dbraw/zinc/65/84/28/521658428.db2.gz FXNSOOPUXKGBEY-UHFFFAOYSA-N 2 0 270.446 1.942 10 0 CDAERP CC(C)C[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001715729017 1179782952 /nfs/dbraw/zinc/78/29/52/1179782952.db2.gz LGYMZQHSBZRPIX-UONOGXRCSA-N 2 0 269.433 1.325 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+]CCF ZINC001716788492 1180415589 /nfs/dbraw/zinc/41/55/89/1180415589.db2.gz KTDJFTHSWPHHEO-ZDUSSCGKSA-N 2 0 273.396 1.268 10 0 CDAERP CC[C@@H](C)[NH2+]CC(=O)N1CC[NH+]([C@H](C)CC)CC1 ZINC000055078383 522227497 /nfs/dbraw/zinc/22/74/97/522227497.db2.gz XUZBEUFAAVTFQN-CHWSQXEVSA-N 2 0 255.406 1.317 10 0 CDAERP CC[C@@H](C[NH2+]C)N1CC[NH+](Cc2ccccc2)CC1 ZINC000052417092 522545921 /nfs/dbraw/zinc/54/59/21/522545921.db2.gz DKFVLDPQGMVABP-INIZCTEOSA-N 2 0 261.413 1.802 10 0 CDAERP CC(C)(C)[NH+]1CCN(Cc2[nH+]c(NN)ccc2Cl)CC1 ZINC000061638567 518713028 /nfs/dbraw/zinc/71/30/28/518713028.db2.gz SRTYTLGAWCEADX-UHFFFAOYSA-N 2 0 297.834 1.937 10 0 CDAERP CC(C)[N@H+](C)CCCC[NH2+][C@H](C)C(=O)NC1CC1 ZINC000045700578 519616400 /nfs/dbraw/zinc/61/64/00/519616400.db2.gz LZMBKYSAGCZUOG-GFCCVEGCSA-N 2 0 255.406 1.364 10 0 CDAERP CC(C)[NH+]1CCN(CCC[NH2+][C@H](C)c2cn[nH]c2)CC1 ZINC000337328634 519682279 /nfs/dbraw/zinc/68/22/79/519682279.db2.gz YZRBDOBUHFLMFF-CQSZACIVSA-N 2 0 279.432 1.476 10 0 CDAERP CC(C)[NH2+]Cc1nc(CN2CCC[N@H+](C)CC2)cs1 ZINC000052424032 519729307 /nfs/dbraw/zinc/72/93/07/519729307.db2.gz IYOPQMJDBFYXJU-UHFFFAOYSA-N 2 0 282.457 1.779 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)C2CCN(C)CC2)O1 ZINC000052419928 519744997 /nfs/dbraw/zinc/74/49/97/519744997.db2.gz CMFJQFVVLFRJNG-IRXDYDNUSA-N 2 0 297.487 1.806 10 0 CDAERP CC(C)C[NH2+]Cc1occc1CN1CC[NH+](C)CC1 ZINC000052379588 519749296 /nfs/dbraw/zinc/74/92/96/519749296.db2.gz KVNDSRZEYOSTHK-UHFFFAOYSA-N 2 0 265.401 1.773 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)C(CC)(CC)C[NH3+])CC1 ZINC000236758661 519842291 /nfs/dbraw/zinc/84/22/91/519842291.db2.gz JHFNIEPIHYJRSG-UHFFFAOYSA-N 2 0 283.460 1.990 10 0 CDAERP CCC[NH+]1CCN(C(=O)C[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000055124551 519856052 /nfs/dbraw/zinc/85/60/52/519856052.db2.gz MBQYRFCUJHNISF-UONOGXRCSA-N 2 0 267.417 1.448 10 0 CDAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC[N@H+](C)CCOC ZINC000061380893 519907487 /nfs/dbraw/zinc/90/74/87/519907487.db2.gz SPIBAVKKEFYSCJ-MQVJKMGUSA-N 2 0 283.460 1.560 10 0 CDAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)CN1CCOCC1 ZINC000054629658 519910829 /nfs/dbraw/zinc/91/08/29/519910829.db2.gz SMQXMVVDFMKVND-HNSVSWJLSA-N 2 0 281.444 1.312 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@H](C[NH+](CCOC)CCOC)O1 ZINC000052571485 519926293 /nfs/dbraw/zinc/92/62/93/519926293.db2.gz HZHWHGPPYCRHNM-LSDHHAIUSA-N 2 0 288.432 1.128 10 0 CDAERP CCC[NH2+]C[C@@]1(CN2CC[NH+](CC(C)C)CC2)CCOC1 ZINC000055081721 519928766 /nfs/dbraw/zinc/92/87/66/519928766.db2.gz WFIUHQOGBAWRRE-QGZVFWFLSA-N 2 0 297.487 1.666 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000061235002 519934200 /nfs/dbraw/zinc/93/42/00/519934200.db2.gz KZSLBGMDISXSSS-GFCCVEGCSA-N 2 0 269.433 1.611 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)N(CC[NH+](C)C)CC(C)C ZINC000061266001 519960152 /nfs/dbraw/zinc/96/01/52/519960152.db2.gz KTEBKLQYHWNIOD-ZDUSSCGKSA-N 2 0 257.422 1.278 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)N1CC[NH+](CCC(C)C)CC1 ZINC000061265908 519960926 /nfs/dbraw/zinc/96/09/26/519960926.db2.gz OKNFQIPHBIRPCQ-AWEZNQCLSA-N 2 0 269.433 1.422 10 0 CDAERP CC[NH2+]Cc1cn(CC[N@H+](C)[C@H]2CCCC[C@@H]2C)nn1 ZINC000052546754 520012331 /nfs/dbraw/zinc/01/23/31/520012331.db2.gz NIXKVMPVJAWLDL-ZFWWWQNUSA-N 2 0 279.432 1.898 10 0 CDAERP CC[NH2+]Cc1cn(CC[N@H+](CCOC)C(CC)CC)nn1 ZINC000052573351 520013552 /nfs/dbraw/zinc/01/35/52/520013552.db2.gz HDWAWEYIBCPARS-UHFFFAOYSA-N 2 0 297.447 1.525 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000061273734 520065839 /nfs/dbraw/zinc/06/58/39/520065839.db2.gz FUXXHBWYGUMCTN-UONOGXRCSA-N 2 0 269.433 1.611 10 0 CDAERP CCCCCCOC[C@@H](O)C[NH2+][C@H](C)CC[NH+](C)C ZINC000049557222 520100398 /nfs/dbraw/zinc/10/03/98/520100398.db2.gz AFKVENJDDBZQQI-CABCVRRESA-N 2 0 274.449 1.874 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000061274719 520164551 /nfs/dbraw/zinc/16/45/51/520164551.db2.gz OGXBHWFVHLRJRH-CYBMUJFWSA-N 2 0 267.417 1.461 10 0 CDAERP CCO[C@@H](C[NH3+])CC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000062740777 520308746 /nfs/dbraw/zinc/30/87/46/520308746.db2.gz AORAVLWKKXPKJL-QGZVFWFLSA-N 2 0 291.439 1.871 10 0 CDAERP CCO[C@H](C[NH3+])CC[NH+]1CCN(c2ccccc2)CC1 ZINC000062740754 520516903 /nfs/dbraw/zinc/51/69/03/520516903.db2.gz SIXOBYLINSWLKW-INIZCTEOSA-N 2 0 277.412 1.563 10 0 CDAERP CC[NH+](CC)CCCNC(=O)C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000055123425 520612279 /nfs/dbraw/zinc/61/22/79/520612279.db2.gz VWNZFOCIHSLUPW-KGLIPLIRSA-N 2 0 269.433 1.742 10 0 CDAERP CC[NH+](CC)CCSCC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000186691613 520708977 /nfs/dbraw/zinc/70/89/77/520708977.db2.gz CUBFJSQHZBFHFY-STQMWFEESA-N 2 0 287.473 1.176 10 0 CDAERP CC[NH+](CC)CCc1ncc([C@H](C)[NH2+]C)c(C)n1 ZINC000054962795 520714802 /nfs/dbraw/zinc/71/48/02/520714802.db2.gz KNWCERSUEJNILL-NSHDSACASA-N 2 0 250.390 1.950 10 0 CDAERP CC[NH+](CC)[C@H]1CCN([C@@H]2CC3(CC[C@@H]2[NH3+])OCCO3)C1 ZINC000062978885 520873829 /nfs/dbraw/zinc/87/38/29/520873829.db2.gz YIMINUIXMGSDQX-SOUVJXGZSA-N 2 0 297.443 1.025 10 0 CDAERP CCOC(=O)N1CCC([N@H+]2[C@@H]3CCC[C@H]2CC([NH3+])C3)CC1 ZINC000054601827 520925784 /nfs/dbraw/zinc/92/57/84/520925784.db2.gz UOQTVBOJIQCGLP-LQDVMPOASA-N 2 0 295.427 1.952 10 0 CDAERP CC[N@H+](CCn1cc(C[NH2+]CC(C)C)nn1)C(C)C ZINC000052446873 521183286 /nfs/dbraw/zinc/18/32/86/521183286.db2.gz HZLNIHHGPDVXIO-UHFFFAOYSA-N 2 0 267.421 1.754 10 0 CDAERP CC[N@H+](CCn1cc(C[NH2+]C(C)(C)C)nn1)[C@H](C)COC ZINC000052504878 521184938 /nfs/dbraw/zinc/18/49/38/521184938.db2.gz KFILTMJPFGTBGE-CYBMUJFWSA-N 2 0 297.447 1.523 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000049227364 521621649 /nfs/dbraw/zinc/62/16/49/521621649.db2.gz DLPCDVQESPJUTL-CQSZACIVSA-N 2 0 276.384 1.751 10 0 CDAERP C[NH+](C)CCN1CCN(C[C@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000061652489 521765721 /nfs/dbraw/zinc/76/57/21/521765721.db2.gz CDFLZTRMIWNEEG-BBWFWOEESA-N 2 0 294.487 1.086 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1c1ccc(C[NH2+]C(C)(C)C)nn1 ZINC000061654247 521843776 /nfs/dbraw/zinc/84/37/76/521843776.db2.gz UDWCURCCPJBXHT-AWEZNQCLSA-N 2 0 291.443 1.895 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1[C@@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000061643005 521843793 /nfs/dbraw/zinc/84/37/93/521843793.db2.gz SBAXSZWJNYQLDY-KBPBESRZSA-N 2 0 291.395 1.441 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C1(C[NH3+])Cc2ccccc2C1 ZINC000061642736 521865522 /nfs/dbraw/zinc/86/55/22/521865522.db2.gz VSBAUJVOMCOENK-MRXNPFEDSA-N 2 0 273.424 1.509 10 0 CDAERP C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2[C@@H]1C[NH+]2CCC1CC2 ZINC000054601374 521957380 /nfs/dbraw/zinc/95/73/80/521957380.db2.gz UAAQIPKYUVPPQX-WTXIUTQJSA-N 2 0 263.429 1.686 10 0 CDAERP COCC[C@](C)(C[NH3+])N1CC[NH+](CC(C)C)CC1 ZINC000055078090 521995898 /nfs/dbraw/zinc/99/58/98/521995898.db2.gz OIIICXCPJXNOMG-CQSZACIVSA-N 2 0 257.422 1.014 10 0 CDAERP COc1cc(C(N)=[NH2+])ccc1OCCC[NH+](C)C ZINC000062714681 522047393 /nfs/dbraw/zinc/04/73/93/522047393.db2.gz CXQPAOVHGUAARF-UHFFFAOYSA-N 2 0 251.330 1.310 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(Cc2cccc(C(N)=[NH2+])c2)CC1 ZINC000055067255 522127194 /nfs/dbraw/zinc/12/71/94/522127194.db2.gz XTIKPFYTQAWGQD-CYBMUJFWSA-N 2 0 274.412 1.887 10 0 CDAERP CC[C@@H](C)[NH+]1CCN([C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000055064165 522130527 /nfs/dbraw/zinc/13/05/27/522130527.db2.gz BCJPRUWAXPDRRJ-KFWWJZLASA-N 2 0 253.434 1.920 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(c2ncccc2C[NH2+]C)CC1 ZINC000055073334 522136542 /nfs/dbraw/zinc/13/65/42/522136542.db2.gz UKQFLDGZCXCQNF-CYBMUJFWSA-N 2 0 262.401 1.722 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(c2nc(C)ccc2C(N)=[NH2+])CC1 ZINC000055067221 522137965 /nfs/dbraw/zinc/13/79/65/522137965.db2.gz SUIMJUCBUXYWCD-GFCCVEGCSA-N 2 0 275.400 1.595 10 0 CDAERP C[NH2+]Cc1ccccc1OCC[NH+]1CCC(OC)CC1 ZINC000052455268 522140001 /nfs/dbraw/zinc/14/00/01/522140001.db2.gz VCBYGDVXIFGGCO-UHFFFAOYSA-N 2 0 278.396 1.896 10 0 CDAERP C[NH2+]Cc1occc1COCC[C@@H]1CCC[N@@H+]1C ZINC000052673275 522162936 /nfs/dbraw/zinc/16/29/36/522162936.db2.gz GLZSMXCUTFXVKP-ZDUSSCGKSA-N 2 0 252.358 2.000 10 0 CDAERP CC[C@H]([NH3+])[C@H](c1cccnc1)N1CCC[C@@H]1C[NH+](C)C ZINC000061642237 522344150 /nfs/dbraw/zinc/34/41/50/522344150.db2.gz AIHBDOGBJXBDMO-PMPSAXMXSA-N 2 0 276.428 1.886 10 0 CDAERP CC[C@@H](C[NH2+]C)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000052416938 522546341 /nfs/dbraw/zinc/54/63/41/522546341.db2.gz LNLOTYVANVPTJD-JKSUJKDBSA-N 2 0 261.413 1.973 10 0 CDAERP CNc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)cn1 ZINC000050815616 522609937 /nfs/dbraw/zinc/60/99/37/522609937.db2.gz YTWCHQRDNNJOBK-UHFFFAOYSA-N 2 0 262.401 1.897 10 0 CDAERP COC1CC[NH+](C[C@H]2CC[C@H](C[NH2+]C3CC3)O2)CC1 ZINC000052455431 522705502 /nfs/dbraw/zinc/70/55/02/522705502.db2.gz MTHOZIBYGUHJMY-HUUCEWRRSA-N 2 0 268.401 1.397 10 0 CDAERP C[N@H+](CCNC(=O)NC1CC([NH+]2CCCCC2)C1)C1CC1 ZINC000366351094 522848674 /nfs/dbraw/zinc/84/86/74/522848674.db2.gz XDCPVCGQQMLSIC-UHFFFAOYSA-N 2 0 294.443 1.397 10 0 CDAERP COC(=O)CC[NH+]1CCC(C[NH2+]C(C)(C)C)CC1 ZINC000069319472 523073907 /nfs/dbraw/zinc/07/39/07/523073907.db2.gz FYEJZQYGFWFMHH-UHFFFAOYSA-N 2 0 256.390 1.650 10 0 CDAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000246224512 523118034 /nfs/dbraw/zinc/11/80/34/523118034.db2.gz HCYJWCCGWNYSLA-MELADBBJSA-N 2 0 267.417 1.304 10 0 CDAERP COCCC[N@H+](CCCCC[NH2+]C1CC1)CCOC ZINC000052543292 523241452 /nfs/dbraw/zinc/24/14/52/523241452.db2.gz QBKAPWUGEURDRB-UHFFFAOYSA-N 2 0 272.433 1.894 10 0 CDAERP COCCC[N@H+](CCOC)Cc1cccnc1C[NH3+] ZINC000061656761 523254687 /nfs/dbraw/zinc/25/46/87/523254687.db2.gz JHKDQYDHKJQCSR-UHFFFAOYSA-N 2 0 267.373 1.025 10 0 CDAERP COCCC[N@H+](CCOC)Cc1ccnc(C[NH3+])c1 ZINC000068750067 523258617 /nfs/dbraw/zinc/25/86/17/523258617.db2.gz SHOUPEBKTPGOOA-UHFFFAOYSA-N 2 0 267.373 1.025 10 0 CDAERP COCC[N@H+](C)C[C@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1 ZINC000052572941 523618811 /nfs/dbraw/zinc/61/88/11/523618811.db2.gz OEROXBUPQSSJHN-QWHCGFSZSA-N 2 0 258.406 1.500 10 0 CDAERP COCC[N@H+](C)CCn1c(N)[nH+]c2ccc(F)c(F)c21 ZINC000061379996 523619384 /nfs/dbraw/zinc/61/93/84/523619384.db2.gz FIAGTFWHSASWQI-UHFFFAOYSA-N 2 0 284.310 1.475 10 0 CDAERP C[N@@H+]1CCC[C@@H](CNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000055138496 523814764 /nfs/dbraw/zinc/81/47/64/523814764.db2.gz MTXPCVNPWNOSAZ-IHRRRGAJSA-N 2 0 267.417 1.352 10 0 CDAERP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCCSC2)CC1 ZINC000061572264 523884934 /nfs/dbraw/zinc/88/49/34/523884934.db2.gz CZUDZPKJFIXSJE-CYBMUJFWSA-N 2 0 271.474 1.498 10 0 CDAERP C[NH+]1CCN(CC[NH2+][C@H]2CCCc3sccc32)CC1 ZINC000061328232 523903883 /nfs/dbraw/zinc/90/38/83/523903883.db2.gz HXIFCUCCVJORBT-AWEZNQCLSA-N 2 0 279.453 1.963 10 0 CDAERP CC[C@H](C)[N@H+](CC)CCn1cc(C[NH2+]C(C)C)nn1 ZINC000052451257 523934812 /nfs/dbraw/zinc/93/48/12/523934812.db2.gz XBAZFDIWTBPMHH-ZDUSSCGKSA-N 2 0 267.421 1.897 10 0 CDAERP CC[C@H](C)[N@H+](CCOC)Cc1cc(C[NH2+]C)no1 ZINC000052547320 523938553 /nfs/dbraw/zinc/93/85/53/523938553.db2.gz DDDXYZZWZURRPX-NSHDSACASA-N 2 0 255.362 1.641 10 0 CDAERP COc1ccc(C[N@H+](C)CC2(O)CC[NH2+]CC2)cc1 ZINC000051016302 524002912 /nfs/dbraw/zinc/00/29/12/524002912.db2.gz APHMBHWAZYTFPP-UHFFFAOYSA-N 2 0 264.369 1.242 10 0 CDAERP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1CCC[C@@H](CC[NH3+])C1 ZINC000055146284 524045546 /nfs/dbraw/zinc/04/55/46/524045546.db2.gz YBOUPTUMSWVKQO-UONOGXRCSA-N 2 0 283.460 1.846 10 0 CDAERP C[C@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC000055138664 524204804 /nfs/dbraw/zinc/20/48/04/524204804.db2.gz CSWZCGGZOUIMFS-XDQVBPFNSA-N 2 0 267.417 1.350 10 0 CDAERP C[C@H](C[NH+]1CCCC1)NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000049184797 524313452 /nfs/dbraw/zinc/31/34/52/524313452.db2.gz LGXOBSYVVLWLKD-UKRRQHHQSA-N 2 0 275.396 1.677 10 0 CDAERP C[C@@H]1CCC[C@H](C(=O)NCC(C)(C)[NH+](C)C)[C@@H]1[NH3+] ZINC000055141709 524347157 /nfs/dbraw/zinc/34/71/57/524347157.db2.gz AFKNGOBWGTXGPR-GRYCIOLGSA-N 2 0 255.406 1.206 10 0 CDAERP C[C@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)N(C)CC[NH+]1CCCC1 ZINC000063055097 524414865 /nfs/dbraw/zinc/41/48/65/524414865.db2.gz WQGSDGPXZKUZSH-IHRRRGAJSA-N 2 0 267.417 1.304 10 0 CDAERP C[C@@H](CC[NH+](C)C)NC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055140835 524467103 /nfs/dbraw/zinc/46/71/03/524467103.db2.gz OQTJOKYTFGWCAM-AVGNSLFASA-N 2 0 255.406 1.350 10 0 CDAERP C[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCC[N@H+](C)C2)C[C@@H]1[NH3+] ZINC000055138479 524634821 /nfs/dbraw/zinc/63/48/21/524634821.db2.gz RYXGBURVWSXNCQ-RFGFWPKPSA-N 2 0 267.417 1.208 10 0 CDAERP C[C@@H]1C[C@@H](C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)CC[C@@H]1[NH3+] ZINC000055131525 525182659 /nfs/dbraw/zinc/18/26/59/525182659.db2.gz FTIUWLLBPYIVKI-RQJABVFESA-N 2 0 267.417 1.303 10 0 CDAERP O=C(CC[C@H]1CCCC[NH2+]1)NC1CC[NH+](C2CC2)CC1 ZINC000050944933 526564170 /nfs/dbraw/zinc/56/41/70/526564170.db2.gz ADAXHDKJIACMIU-CYBMUJFWSA-N 2 0 279.428 1.652 10 0 CDAERP [NH3+]C[C@@]1(N2CC[NH+](CC3CC3)CC2)CCCSC1 ZINC000061590181 527222112 /nfs/dbraw/zinc/22/21/12/527222112.db2.gz XRILPPOMZDZDBD-AWEZNQCLSA-N 2 0 269.458 1.239 10 0 CDAERP [NH3+]Cc1cn(CC[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)nn1 ZINC000052482563 527261510 /nfs/dbraw/zinc/26/15/10/527261510.db2.gz DGDQSWVIJMVRCQ-JSGCOSHPSA-N 2 0 263.389 1.391 10 0 CDAERP [NH3+]Cc1nc(CN2CC[NH+](C3CCCC3)CC2)cs1 ZINC000052573506 527266533 /nfs/dbraw/zinc/26/65/33/527266533.db2.gz DJVSEAQNIXRKSP-UHFFFAOYSA-N 2 0 280.441 1.662 10 0 CDAERP NNc1[nH+]cccc1CN1CC[NH+](C2CCCC2)CC1 ZINC000052725278 527288683 /nfs/dbraw/zinc/28/86/83/527288683.db2.gz HGRPSBKSJGKUEO-UHFFFAOYSA-N 2 0 275.400 1.427 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000417828421 528949287 /nfs/dbraw/zinc/94/92/87/528949287.db2.gz HDAQMJNUKIMRHK-OLZOCXBDSA-N 2 0 267.417 1.413 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000175781682 535299347 /nfs/dbraw/zinc/29/93/47/535299347.db2.gz MDZFYKJWHVCDAR-OAHLLOKOSA-N 2 0 294.443 1.374 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCc1cc(C)ccc1OC ZINC000422792194 536595475 /nfs/dbraw/zinc/59/54/75/536595475.db2.gz VRYOZPNZKGQCDS-OAHLLOKOSA-N 2 0 280.412 1.890 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1CCOc2ccccc21 ZINC000422883646 536597193 /nfs/dbraw/zinc/59/71/93/536597193.db2.gz COUBMQYPIAREAG-ZIAGYGMSSA-N 2 0 278.396 1.896 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CCCO[C@H]1C(C)C ZINC000422920282 536850955 /nfs/dbraw/zinc/85/09/55/536850955.db2.gz MEJAEVHHRRTCAD-ILXRZTDVSA-N 2 0 272.433 1.781 10 0 CDAERP CC[N@@H+]1CCN(C(=O)NCCC[NH+](C)CC(C)C)[C@H](C)C1 ZINC001682457604 1174615134 /nfs/dbraw/zinc/61/51/34/1174615134.db2.gz XQGQUMQDLCKEAX-OAHLLOKOSA-N 2 0 298.475 1.700 10 0 CDAERP CCOC(=O)[C@H]1C[NH2+]CC12C[C@H]1CC[C@@H](C2)[N@H+]1C ZINC000757183549 574901314 /nfs/dbraw/zinc/90/13/14/574901314.db2.gz CVKXJWKGRWXKJT-JIROBOQZSA-N 2 0 252.358 1.012 10 0 CDAERP CC(C)C[C@H](CCO)C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925527650 617454830 /nfs/dbraw/zinc/45/48/30/617454830.db2.gz PHNVUXHLSCYJQZ-MJBXVCDLSA-N 2 0 254.418 1.891 10 0 CDAERP C[NH+]1CCN(CCC[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)CC1 ZINC000924578191 617531685 /nfs/dbraw/zinc/53/16/85/617531685.db2.gz LUUXNWKMWMQWPF-IRXDYDNUSA-N 2 0 295.471 1.419 10 0 CDAERP C[C@@](O)(C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)C1CC1 ZINC000925609510 617553905 /nfs/dbraw/zinc/55/39/05/617553905.db2.gz VDXPWDJWDKVGJN-UKTARXLSSA-N 2 0 252.402 1.514 10 0 CDAERP OC[C@H]1C=C[C@@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925617956 617563518 /nfs/dbraw/zinc/56/35/18/617563518.db2.gz YGKHSRFWAFFTSF-XZDPQHSOSA-N 2 0 264.413 1.681 10 0 CDAERP CCNC(=O)C1(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CCC1 ZINC000925650299 617593283 /nfs/dbraw/zinc/59/32/83/617593283.db2.gz NLOFMWBHZICWQN-CHWSQXEVSA-N 2 0 281.444 1.788 10 0 CDAERP C[N@@H+]1C[C@@H]2CN([C@@H]3CCN(C4CCC4)C3=O)C[C@]2(C)C1 ZINC000933734811 617600676 /nfs/dbraw/zinc/60/06/76/617600676.db2.gz RNUIYDLGCHMPQM-XPKDYRNWSA-N 2 0 277.412 1.023 10 0 CDAERP C1CO[C@@]2(C1)CCC[C@@H]2[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925771540 617640409 /nfs/dbraw/zinc/64/04/09/617640409.db2.gz BTPDBUOCJHXHCU-YJEUUXNWSA-N 2 0 262.397 1.674 10 0 CDAERP CC[NH+](CC)CCCN1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931315659 617710780 /nfs/dbraw/zinc/71/07/80/617710780.db2.gz YWMBBDLWHXVRBP-HZPDHXFCSA-N 2 0 267.461 1.992 10 0 CDAERP CC1(C)C[C@@H](NC[C@]2(C)CCC[NH2+]C2)C[C@@H]([NH3+])C1 ZINC000925699155 617737419 /nfs/dbraw/zinc/73/74/19/617737419.db2.gz NDLQVXDSUNCBLM-VNHYZAJKSA-N 2 0 253.434 1.872 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC000925826362 617818386 /nfs/dbraw/zinc/81/83/86/617818386.db2.gz NJMXUVAXLWZRJU-UONOGXRCSA-N 2 0 282.428 1.415 10 0 CDAERP CC1(C)[C@@H]([NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925829403 617847082 /nfs/dbraw/zinc/84/70/82/617847082.db2.gz CWOQHEPPNIZSFC-AYCBFJCHSA-N 2 0 276.424 1.944 10 0 CDAERP C[C@@H]1CC[C@@H]([NH2+]CCCCCN2CC[NH2+]CC2)C1 ZINC000925843299 617875410 /nfs/dbraw/zinc/87/54/10/617875410.db2.gz DRTUDUSHOOJEAO-HUUCEWRRSA-N 2 0 253.434 1.840 10 0 CDAERP CC[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)[C@@H]1CCOC1 ZINC000925845029 617879294 /nfs/dbraw/zinc/87/92/94/617879294.db2.gz WFFNNOILZMYZTR-LXTVHRRPSA-N 2 0 252.402 1.923 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@]1(C(F)(F)F)CCCN1 ZINC000925852722 617890099 /nfs/dbraw/zinc/89/00/99/617890099.db2.gz GIAYAVURCIJUMG-SDDRHHMPSA-N 2 0 279.350 1.778 10 0 CDAERP CCOC(=O)N1CC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923373285 618322777 /nfs/dbraw/zinc/32/27/77/618322777.db2.gz MBQFESLSJVSBPN-GOOCMWNKSA-N 2 0 295.427 1.681 10 0 CDAERP COc1cccc(SCCN2CC[NH2+]CC[NH2+]CC2)c1 ZINC000923459997 618340940 /nfs/dbraw/zinc/34/09/40/618340940.db2.gz JTVNCBVGSGPSRW-UHFFFAOYSA-N 2 0 295.452 1.282 10 0 CDAERP CC[NH+]1CCC(C[NH2+]C2[C@@H](C)COC[C@@H]2C)CC1 ZINC000924955830 618396659 /nfs/dbraw/zinc/39/66/59/618396659.db2.gz UFTDQFJKWISMEQ-STQMWFEESA-N 2 0 254.418 1.979 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H](O)c1ccc(C)cc1 ZINC000817891629 618484502 /nfs/dbraw/zinc/48/45/02/618484502.db2.gz FTXMJKKCGFFFRD-GJZGRUSLSA-N 2 0 266.385 1.372 10 0 CDAERP CC(C)[C@@H]1COCC[C@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000925022295 618794344 /nfs/dbraw/zinc/79/43/44/618794344.db2.gz FXWNTMUHDCHWJG-IXDOHACOSA-N 2 0 298.471 1.874 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000928437498 619079568 /nfs/dbraw/zinc/07/95/68/619079568.db2.gz WXOFFTFMUGFMGG-OCCSQVGLSA-N 2 0 267.417 1.316 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](NC(=O)N[C@H]2CCC[N@H+](C)C2)C1 ZINC000749562126 619309166 /nfs/dbraw/zinc/30/91/66/619309166.db2.gz GQHXANZCYITYIN-IHRRRGAJSA-N 2 0 282.432 1.253 10 0 CDAERP c1cc(C[NH2+]CC2CSC2)n(-c2cc[nH+]cc2)n1 ZINC000895423466 619662676 /nfs/dbraw/zinc/66/26/76/619662676.db2.gz KCBHNFWPHOGUJU-UHFFFAOYSA-N 2 0 260.366 1.720 10 0 CDAERP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC000895854852 619874004 /nfs/dbraw/zinc/87/40/04/619874004.db2.gz PRVSVLQDAUVASX-INMHGKMJSA-N 2 0 293.455 1.709 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1(C)C ZINC000898103080 621336671 /nfs/dbraw/zinc/33/66/71/621336671.db2.gz RVHNXQKTBIUKAV-OLZOCXBDSA-N 2 0 267.417 1.316 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC(C)(C)n1ccnc1 ZINC000898901058 621935611 /nfs/dbraw/zinc/93/56/11/621935611.db2.gz CRLSUJRNUFUKLG-UHFFFAOYSA-N 2 0 252.362 1.075 10 0 CDAERP c1c(C2CC[NH2+]CC2)nnn1C[C@@H]1CCCC[NH2+]C1 ZINC000899740568 622399679 /nfs/dbraw/zinc/39/96/79/622399679.db2.gz IEFRBIRNZOZDHA-GFCCVEGCSA-N 2 0 263.389 1.135 10 0 CDAERP COCCN(CC[NH+](C)C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000900586570 623261423 /nfs/dbraw/zinc/26/14/23/623261423.db2.gz FFAUJHPGLYNKHL-GJZGRUSLSA-N 2 0 297.443 1.040 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)/C=C(/C)CN1CCOCC1 ZINC000900672802 623359679 /nfs/dbraw/zinc/35/96/79/623359679.db2.gz LFGJJAUVHJKCGK-SQFISAMPSA-N 2 0 297.443 1.113 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000900884984 623607067 /nfs/dbraw/zinc/60/70/67/623607067.db2.gz DSYAMJCQNKUBEC-CYBMUJFWSA-N 2 0 265.401 1.025 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C1 ZINC000903043197 625791448 /nfs/dbraw/zinc/79/14/48/625791448.db2.gz RNOZUOXHHJNHBX-AHWCTLNISA-N 2 0 264.413 1.730 10 0 CDAERP Cc1nccc(N2CC[NH+](C[C@@H]3CC[C@H]([NH3+])C3)CC2)n1 ZINC000903457640 625993923 /nfs/dbraw/zinc/99/39/23/625993923.db2.gz YBNNXHMFPJQKTF-KGLIPLIRSA-N 2 0 275.400 1.034 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000903459318 625994923 /nfs/dbraw/zinc/99/49/23/625994923.db2.gz GRXSNJQPQPBEHH-GWOFURMSSA-N 2 0 266.307 1.956 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H]([C@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000903461258 625995943 /nfs/dbraw/zinc/99/59/43/625995943.db2.gz QUADZMZTAIOZAW-UYJHQMFVSA-N 3 0 281.444 1.332 10 0 CDAERP COC[C@H](C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+])C(C)C ZINC000903449493 625999954 /nfs/dbraw/zinc/99/99/54/625999954.db2.gz DXJXEYYBBLUZEN-GJZGRUSLSA-N 2 0 299.459 1.225 10 0 CDAERP [NH3+]CCC[N@H+](CC1CCCC1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903451960 626000935 /nfs/dbraw/zinc/00/09/35/626000935.db2.gz GGRDAUQYGQOYAV-CABCVRRESA-N 3 0 253.434 1.955 10 0 CDAERP COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903456748 626002292 /nfs/dbraw/zinc/00/22/92/626002292.db2.gz KOLJPQMFGNSMAJ-HTOAHKCRSA-N 2 0 266.385 1.115 10 0 CDAERP Cn1ccnc1[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903456282 626002328 /nfs/dbraw/zinc/00/23/28/626002328.db2.gz FQKHDUBCZOGNNC-MCIONIFRSA-N 2 0 262.401 1.727 10 0 CDAERP CC[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCN1CC(F)F ZINC000903457259 626002726 /nfs/dbraw/zinc/00/27/26/626002726.db2.gz PFALQCNQKCLUTJ-FRRDWIJNSA-N 2 0 275.387 1.775 10 0 CDAERP CC(C)CC(=O)N1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903475855 626004983 /nfs/dbraw/zinc/00/49/83/626004983.db2.gz GBHXHCLPUCPHBX-CABCVRRESA-N 2 0 281.444 1.694 10 0 CDAERP COc1ccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1 ZINC000903494500 626011344 /nfs/dbraw/zinc/01/13/44/626011344.db2.gz HBTYFXPHADUNDD-CHWSQXEVSA-N 2 0 291.395 1.550 10 0 CDAERP O=C1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]2CCCC[C@H]2N1 ZINC000903890045 626124265 /nfs/dbraw/zinc/12/42/65/626124265.db2.gz YMGWDCFGVJAUCE-ZKXZWOTCSA-N 2 0 277.412 1.260 10 0 CDAERP CC[N@H+](C[C@@H]1CCOC1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903883992 626132508 /nfs/dbraw/zinc/13/25/08/626132508.db2.gz OERGMMIWEMOGTG-AVOUXACISA-N 2 0 252.402 1.875 10 0 CDAERP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)CCOCC2CC2)cnn1C ZINC000903899886 626137916 /nfs/dbraw/zinc/13/79/16/626137916.db2.gz YATVRTPWGZWWCO-HNNXBMFYSA-N 2 0 294.443 1.204 10 0 CDAERP CCCN1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1=O ZINC000903912371 626144871 /nfs/dbraw/zinc/14/48/71/626144871.db2.gz DOIHDGFMUXCNME-GOOCMWNKSA-N 2 0 279.428 1.461 10 0 CDAERP CC[C@@H]1[C@@H](C)CC[N@@H+]1C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903913890 626145919 /nfs/dbraw/zinc/14/59/19/626145919.db2.gz FIWLNOHEVDAVAQ-JGGQBBKZSA-N 2 0 278.444 1.966 10 0 CDAERP CC[C@@H]1[C@H](C)CC[N@@H+]1C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903913889 626145950 /nfs/dbraw/zinc/14/59/50/626145950.db2.gz FIWLNOHEVDAVAQ-IVMMDQJWSA-N 2 0 278.444 1.966 10 0 CDAERP c1csc(C[NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)c1 ZINC000903919455 626146711 /nfs/dbraw/zinc/14/67/11/626146711.db2.gz CKNIEARSZCGACB-LLVKDONJSA-N 2 0 277.397 1.554 10 0 CDAERP CC[C@H]([NH2+]C[C@@H](C[NH3+])Cc1cnn(C)c1C)[C@@H]1CCCO1 ZINC000903922854 626147845 /nfs/dbraw/zinc/14/78/45/626147845.db2.gz GGCXNNXKXKJKPC-KBMXLJTQSA-N 2 0 294.443 1.393 10 0 CDAERP Cc1nn(C)cc1[C@@H](C)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903927016 626149232 /nfs/dbraw/zinc/14/92/32/626149232.db2.gz WSEAUWOZJXWNQT-NDNKKMJESA-N 2 0 262.401 1.910 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[NH2+][C@@]23C[C@@H]2CCCC3)cnn1C ZINC000903935108 626153321 /nfs/dbraw/zinc/15/33/21/626153321.db2.gz MXVUILVCDQWNGZ-KBMXLJTQSA-N 2 0 276.428 1.768 10 0 CDAERP [NH3+][C@@H](CC(F)F)CN1CCCCCCNC(=O)CC1 ZINC000903935960 626154013 /nfs/dbraw/zinc/15/40/13/626154013.db2.gz WQQOGXTUHHJZHB-NSHDSACASA-N 2 0 277.359 1.351 10 0 CDAERP COc1cccc(C[C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)n1 ZINC000903955990 626166869 /nfs/dbraw/zinc/16/68/69/626166869.db2.gz DUSDUVBUUZFZBZ-NEPJUHHUSA-N 2 0 299.365 1.856 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1N[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000903963933 626171053 /nfs/dbraw/zinc/17/10/53/626171053.db2.gz JWJAVIMHPQBYGE-SLBVQIDZSA-N 2 0 259.397 1.677 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cn(C)nc1-c1ccncc1 ZINC000903964703 626171440 /nfs/dbraw/zinc/17/14/40/626171440.db2.gz OZWLGCUWKPHFPF-OCCSQVGLSA-N 2 0 285.395 1.427 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C[C@H]1CCOc2ccccc21 ZINC000903964523 626171470 /nfs/dbraw/zinc/17/14/70/626171470.db2.gz KNEYHOHFQYZAMZ-MCIONIFRSA-N 2 0 260.381 1.998 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000903964369 626171526 /nfs/dbraw/zinc/17/15/26/626171526.db2.gz KIABJYFAJZIDTL-HIFRSBDPSA-N 2 0 270.380 1.817 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000903967475 626172179 /nfs/dbraw/zinc/17/21/79/626172179.db2.gz JSOCNRBVVXWPQI-QKGCVVFFSA-N 3 0 251.418 1.352 10 0 CDAERP C[NH+](C)CCCCNC(=[NH2+])NC[C@@H]1CCCS1 ZINC000905041384 626380778 /nfs/dbraw/zinc/38/07/78/626380778.db2.gz ICODGZHUPDZGCQ-NSHDSACASA-N 2 0 258.435 1.338 10 0 CDAERP C[NH+](C)[C@@H](CNC(=[NH2+])NC[C@H]1CCCS1)C1CC1 ZINC000905043141 626382206 /nfs/dbraw/zinc/38/22/06/626382206.db2.gz TUWPWNIWYFGYBN-NEPJUHHUSA-N 2 0 270.446 1.336 10 0 CDAERP CC[C@H]1[NH2+]CC[C@H]1c1nc(CC2CC[NH2+]CC2)no1 ZINC000905313680 626744152 /nfs/dbraw/zinc/74/41/52/626744152.db2.gz MRWQDFJGMJNKJO-VXGBXAGGSA-N 2 0 264.373 1.467 10 0 CDAERP C[NH2+]CCOc1ccccc1-c1nc([C@H]2CCC[NH2+]2)no1 ZINC000905305294 626756227 /nfs/dbraw/zinc/75/62/27/626756227.db2.gz RQTHHYOAKKSNRN-GFCCVEGCSA-N 2 0 288.351 1.759 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000906584072 627338145 /nfs/dbraw/zinc/33/81/45/627338145.db2.gz FWEXVQDEPHIRTF-CYBMUJFWSA-N 2 0 267.417 1.461 10 0 CDAERP CC[N@@H+]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC000910264198 628935765 /nfs/dbraw/zinc/93/57/65/628935765.db2.gz BYEJYDRTJYOYNX-ZIAGYGMSSA-N 2 0 267.417 1.271 10 0 CDAERP O=C(N1CC[C@@H]([NH+]2CCC2)C1)C12CCC[NH+](CCC1)C2 ZINC000912901687 630294211 /nfs/dbraw/zinc/29/42/11/630294211.db2.gz BSSYTWJMUMQZKF-CQSZACIVSA-N 2 0 277.412 1.169 10 0 CDAERP CC[N@H+](CC(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1)C1CC1 ZINC000913283962 630434673 /nfs/dbraw/zinc/43/46/73/630434673.db2.gz MIFURRQJDDGAOU-HOTGVXAUSA-N 2 0 279.428 1.271 10 0 CDAERP CC[N@H+](CC(=O)N1C[C@]2(C)C[NH+](C)C[C@]2(C)C1)C1CC1 ZINC000913283964 630434981 /nfs/dbraw/zinc/43/49/81/630434981.db2.gz MIFURRQJDDGAOU-IYBDPMFKSA-N 2 0 279.428 1.271 10 0 CDAERP O[C@@H](C[NH2+]CCCC[NH+]1CCOCC1)c1ccccc1 ZINC000840745423 630686702 /nfs/dbraw/zinc/68/67/02/630686702.db2.gz LPTRNUOUZBEKAM-INIZCTEOSA-N 2 0 278.396 1.422 10 0 CDAERP C[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CCC3(COC3)O2)CCN1C ZINC000929781629 630948006 /nfs/dbraw/zinc/94/80/06/630948006.db2.gz JYDYKDPDIIFBFS-HZSPNIEDSA-N 2 0 268.401 1.349 10 0 CDAERP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1NC1CC[NH+](CC3CC3)CC1)[NH2+]2 ZINC000925473249 632683119 /nfs/dbraw/zinc/68/31/19/632683119.db2.gz LGNBNMLGOJWWHO-VJUNAUMWSA-N 2 0 277.456 1.979 10 0 CDAERP CCC[N@H+](C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001691000684 1158524585 /nfs/dbraw/zinc/52/45/85/1158524585.db2.gz OKBLWUCFAXIHFO-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP CC[C@H](C)C[N@H+](CC)CCNC(=O)C[NH+]1CCCC1 ZINC001691052517 1158840398 /nfs/dbraw/zinc/84/03/98/1158840398.db2.gz SIHPAZZWUOQJII-AWEZNQCLSA-N 2 0 269.433 1.566 10 0 CDAERP CC(C)=CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001691211559 1158960478 /nfs/dbraw/zinc/96/04/78/1158960478.db2.gz WMUZIFPUGJXJRU-GDBMZVCRSA-N 2 0 293.455 1.873 10 0 CDAERP C[NH+](C)CCC(=O)NCC[N@H+](C)Cc1ccc(F)c(F)c1 ZINC001480907303 1159025386 /nfs/dbraw/zinc/02/53/86/1159025386.db2.gz CLYLOLGYLVNWHS-UHFFFAOYSA-N 2 0 299.365 1.465 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]C[C@@H](C)CC ZINC001691339978 1159026356 /nfs/dbraw/zinc/02/63/56/1159026356.db2.gz QMNHQLKBWOWHMK-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)COCC[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001691365002 1159035988 /nfs/dbraw/zinc/03/59/88/1159035988.db2.gz LXPPBNCYSMPMSN-HNNXBMFYSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[NH2+]C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001699588707 1158459064 /nfs/dbraw/zinc/45/90/64/1158459064.db2.gz DYDSVGRJGPQNQH-OCCSQVGLSA-N 2 0 267.417 1.223 10 0 CDAERP CN(CC[NH2+]CCOC1CCC1)C(=O)C1([NH+](C)C)CCC1 ZINC001691346536 1159028424 /nfs/dbraw/zinc/02/84/24/1159028424.db2.gz YYPAJSQHRVYIEC-UHFFFAOYSA-N 2 0 297.443 1.088 10 0 CDAERP CC[NH2+]CCN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001691372140 1159040748 /nfs/dbraw/zinc/04/07/48/1159040748.db2.gz UOBGIGVTICRRMO-UHFFFAOYSA-N 2 0 269.433 1.707 10 0 CDAERP COCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCC[NH+]2CCCC2)C1 ZINC001725589196 1159256493 /nfs/dbraw/zinc/25/64/93/1159256493.db2.gz JTOYGPHPNZXLDH-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]CC1CC(C)C1 ZINC001267474797 1159404119 /nfs/dbraw/zinc/40/41/19/1159404119.db2.gz VKCSAAYRPQRPLC-GPANFISMSA-N 2 0 295.471 1.955 10 0 CDAERP CCCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268379167 1159915262 /nfs/dbraw/zinc/91/52/62/1159915262.db2.gz OXKZMTFQBBIHET-KGLIPLIRSA-N 2 0 269.433 1.755 10 0 CDAERP COCC[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001700886608 1160066641 /nfs/dbraw/zinc/06/66/41/1160066641.db2.gz DHFCDYIJWQCLOO-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP CCCC[NH2+]C[C@H](C)N(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001271002600 1160236559 /nfs/dbraw/zinc/23/65/59/1160236559.db2.gz DAJOEJKIEUKPSI-KBPBESRZSA-N 2 0 271.449 1.809 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC1(C)CC[NH+](CCF)CC1 ZINC001483976407 1161243335 /nfs/dbraw/zinc/24/33/35/1161243335.db2.gz KBMXNHPVZNAZPH-OKILXGFUSA-N 2 0 299.434 1.799 10 0 CDAERP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)C[NH+]2CCCC2)co1 ZINC001273182524 1161544966 /nfs/dbraw/zinc/54/49/66/1161544966.db2.gz AJFWNHNVTSZXGQ-GFCCVEGCSA-N 2 0 294.399 1.063 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C23CCC3)CC[N@@H+]1C ZINC000864069669 1164503928 /nfs/dbraw/zinc/50/39/28/1164503928.db2.gz GBHVHWPFDQIUDX-GBJTYRQASA-N 2 0 293.455 1.706 10 0 CDAERP CN(CC[NH+]1CCCC1)C(=O)C1([NH+](C)C)CCCC1 ZINC001611514500 1165498348 /nfs/dbraw/zinc/49/83/48/1165498348.db2.gz WIWJRSJKSYRTLT-UHFFFAOYSA-N 2 0 267.417 1.415 10 0 CDAERP COCCC[NH+]1CCC(NC(=O)[C@H](C)CC[NH+](C)C)CC1 ZINC001626779410 1165959307 /nfs/dbraw/zinc/95/93/07/1165959307.db2.gz MVEISURPZRPKGE-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N1CC[C@H](CC[NH+](C)C)C1 ZINC001644473375 1167320301 /nfs/dbraw/zinc/32/03/01/1167320301.db2.gz VUVMZCWBZRIJLD-KBPBESRZSA-N 2 0 269.433 1.374 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@@H]1CC[NH2+]CC ZINC001316683823 1167453773 /nfs/dbraw/zinc/45/37/73/1167453773.db2.gz GBVKWQKSRPFOHN-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP [NH3+][C@@H]1CCCC[C@@H]1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC001645892454 1167554914 /nfs/dbraw/zinc/55/49/14/1167554914.db2.gz DSERQJJLUMGPGR-LSDHHAIUSA-N 2 0 279.428 1.495 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1CCC[C@@H](C[NH2+]CCF)C1 ZINC001566910530 1168462697 /nfs/dbraw/zinc/46/26/97/1168462697.db2.gz VIDQYMVEBUOVHU-AWEZNQCLSA-N 2 0 287.423 1.516 10 0 CDAERP O=C(N1CCC[C@@H]1C[NH2+]CCF)C12CCC[NH+](CCC1)C2 ZINC001568140601 1169146339 /nfs/dbraw/zinc/14/63/39/1169146339.db2.gz ANEKMUOLYQOYEB-CQSZACIVSA-N 2 0 297.418 1.413 10 0 CDAERP CCN(CC[NH2+]C[C@H]1CCO[C@H](C)C1)C(=O)CC[NH+](C)C ZINC001568772250 1169469247 /nfs/dbraw/zinc/46/92/47/1169469247.db2.gz NPKAHCOVIYMIDW-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP CCCC[NH2+][C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001570362577 1170143571 /nfs/dbraw/zinc/14/35/71/1170143571.db2.gz XSDBDOOQGKDDKH-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP COCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001661661076 1172424354 /nfs/dbraw/zinc/42/43/54/1172424354.db2.gz BZZGWCKINKFDNE-ZNMIVQPWSA-N 2 0 297.443 1.133 10 0 CDAERP CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001667217870 1173246352 /nfs/dbraw/zinc/24/63/52/1173246352.db2.gz VQSNSAFBKNDDPP-QWHCGFSZSA-N 2 0 255.406 1.173 10 0 CDAERP C[C@H](C[NH2+]CC1CCC1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001669329010 1173537425 /nfs/dbraw/zinc/53/74/25/1173537425.db2.gz WZSYTIKDQDKDDI-TZMCWYRMSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001672335231 1173767948 /nfs/dbraw/zinc/76/79/48/1173767948.db2.gz WIQYIZCEGZLZFW-HOTGVXAUSA-N 2 0 293.455 1.733 10 0 CDAERP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1[NH2+]CCCF ZINC001673893704 1173894902 /nfs/dbraw/zinc/89/49/02/1173894902.db2.gz ZGURFKQELGMPJN-KGLIPLIRSA-N 2 0 299.434 1.657 10 0 CDAERP C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](C)[NH2+]CC1CC1 ZINC001674722569 1173997783 /nfs/dbraw/zinc/99/77/83/1173997783.db2.gz OUFIKHWDHCHCPQ-VXGBXAGGSA-N 2 0 255.406 1.221 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]CCCO ZINC001698620710 1175874896 /nfs/dbraw/zinc/87/48/96/1175874896.db2.gz HZZPNMAMZBNYHH-CABCVRRESA-N 2 0 299.459 1.118 10 0 CDAERP C[C@@H](C[NH2+]CC1=CCCCC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001698859262 1175967138 /nfs/dbraw/zinc/96/71/38/1175967138.db2.gz INUYQDHMTMBHHY-HOCLYGCPSA-N 2 0 293.455 1.875 10 0 CDAERP CC(C)=CC[N@@H+](C)CCN(C)C(=O)C[NH+](C)C1CCC1 ZINC001698988924 1176017778 /nfs/dbraw/zinc/01/77/78/1176017778.db2.gz NJDVRXDBPROEPZ-UHFFFAOYSA-N 2 0 281.444 1.827 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)CC[NH2+]CCF)C1 ZINC001699129724 1176104860 /nfs/dbraw/zinc/10/48/60/1176104860.db2.gz IYWNLLAZYKQAQI-ZIAGYGMSSA-N 2 0 287.423 1.562 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CCF ZINC001699185242 1176130229 /nfs/dbraw/zinc/13/02/29/1176130229.db2.gz PLKBGZYBXPGGEL-ZDUSSCGKSA-N 2 0 273.396 1.268 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H]1CNC(=O)Cc1[nH]cnc1C ZINC001699640602 1176538440 /nfs/dbraw/zinc/53/84/40/1176538440.db2.gz XMQMGMQZLOYKRB-CYBMUJFWSA-N 2 0 278.400 1.641 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCC2([NH2+]CCCF)CC2)CC[N@@H+]1C ZINC001699663568 1176557822 /nfs/dbraw/zinc/55/78/22/1176557822.db2.gz REZUATQBZHCLMU-STQMWFEESA-N 2 0 285.407 1.315 10 0 CDAERP CCCC[NH2+][C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001700267287 1176825305 /nfs/dbraw/zinc/82/53/05/1176825305.db2.gz MPPLHJJNTZTUFG-KBPBESRZSA-N 2 0 281.444 1.565 10 0 CDAERP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001700271100 1176825744 /nfs/dbraw/zinc/82/57/44/1176825744.db2.gz IGQIGYBGFVVUMX-XETQRACLSA-N 2 0 293.455 1.875 10 0 CDAERP COCCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@H]1C ZINC001700323745 1176851429 /nfs/dbraw/zinc/85/14/29/1176851429.db2.gz LORSRJHBAHMWCN-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)C1CCC([NH2+]CCCO)CC1 ZINC001700437873 1176928963 /nfs/dbraw/zinc/92/89/63/1176928963.db2.gz QJGSPVUZZLHHSD-UHFFFAOYSA-N 2 0 299.459 1.068 10 0 CDAERP CC[C@H](C)C[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001700490328 1176980344 /nfs/dbraw/zinc/98/03/44/1176980344.db2.gz ZPXDHFKJLVAIIZ-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP CCCC[C@H](C[NH2+]CCF)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001700520839 1176992932 /nfs/dbraw/zinc/99/29/32/1176992932.db2.gz AVKVDLHBXIJKSY-QWHCGFSZSA-N 2 0 273.396 1.172 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCCCCF)C1 ZINC001700628656 1177042040 /nfs/dbraw/zinc/04/20/40/1177042040.db2.gz BLXQTAAOFMDEPD-RBSFLKMASA-N 2 0 299.434 1.705 10 0 CDAERP CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001700643950 1177053807 /nfs/dbraw/zinc/05/38/07/1177053807.db2.gz IGNOAHBUOLAMAC-MGPQQGTHSA-N 2 0 267.417 1.223 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]([NH2+]CCCF)C(C)(C)C2)C1 ZINC001700948902 1177205010 /nfs/dbraw/zinc/20/50/10/1177205010.db2.gz WZGLMZHKZWQUKP-OLZOCXBDSA-N 2 0 285.407 1.124 10 0 CDAERP C[NH+](C)C1(C(=O)NCCC[N@H+](CCF)C2CC2)CCC1 ZINC001707480445 1178074875 /nfs/dbraw/zinc/07/48/75/1178074875.db2.gz ORYUDIXLJLQTOF-UHFFFAOYSA-N 2 0 285.407 1.411 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)C(C)C ZINC001713015680 1178305140 /nfs/dbraw/zinc/30/51/40/1178305140.db2.gz BRYMIERUMWFTMV-CQSZACIVSA-N 2 0 269.433 1.707 10 0 CDAERP CC/C=C\CC[NH2+][C@H]1C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001713169112 1178409854 /nfs/dbraw/zinc/40/98/54/1178409854.db2.gz HYTJFCYUFIGBGZ-RTJHIJBXSA-N 2 0 281.444 1.920 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001713361337 1178520531 /nfs/dbraw/zinc/52/05/31/1178520531.db2.gz YTWWHQJCVHONSR-AWEZNQCLSA-N 2 0 279.428 1.320 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N(C)CC[NH2+]CC2CC2)CC1 ZINC001713650159 1178696862 /nfs/dbraw/zinc/69/68/62/1178696862.db2.gz YJZALPWWUIRMFJ-UHFFFAOYSA-N 2 0 281.444 1.565 10 0 CDAERP CCCCC[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001713756166 1178739874 /nfs/dbraw/zinc/73/98/74/1178739874.db2.gz PSSHGXCGQHBLRJ-HNNXBMFYSA-N 2 0 283.460 1.909 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]([NH2+]CC1=CCCCC1)C1CC1 ZINC001713876818 1178808550 /nfs/dbraw/zinc/80/85/50/1178808550.db2.gz QCNYHFFEKKQZPC-INIZCTEOSA-N 2 0 293.455 1.923 10 0 CDAERP CCCC[NH2+][C@@H](CNC(=O)Cn1ccnc1C)C1CC1 ZINC001713883923 1178814467 /nfs/dbraw/zinc/81/44/67/1178814467.db2.gz MLNOVKVLDIUUIQ-AWEZNQCLSA-N 2 0 278.400 1.476 10 0 CDAERP CC/C=C\CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001714017844 1178929977 /nfs/dbraw/zinc/92/99/77/1178929977.db2.gz GRWMISNKSXVSLG-REBNAPPDSA-N 2 0 279.428 1.531 10 0 CDAERP COCC[NH2+][C@H](C)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001714310979 1179080377 /nfs/dbraw/zinc/08/03/77/1179080377.db2.gz WRNBPTINCLMWNI-CYBMUJFWSA-N 2 0 293.411 1.103 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001714362253 1179104842 /nfs/dbraw/zinc/10/48/42/1179104842.db2.gz RSEXKPMIUIRBEY-UONOGXRCSA-N 2 0 299.434 1.514 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]CCF)C2)CC1 ZINC001714373313 1179111009 /nfs/dbraw/zinc/11/10/09/1179111009.db2.gz WFXGIOQTWRSAHU-AWEZNQCLSA-N 2 0 299.434 1.514 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001714382214 1179114562 /nfs/dbraw/zinc/11/45/62/1179114562.db2.gz MQGDZZIZOWNXPJ-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)[NH2+]C[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001714420542 1179131455 /nfs/dbraw/zinc/13/14/55/1179131455.db2.gz UWFNKOBLTDPEBU-CYBMUJFWSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)CC[N@H+](C)CCNC(=O)CCc1c[nH]cn1 ZINC001714546607 1179201464 /nfs/dbraw/zinc/20/14/64/1179201464.db2.gz MLUGMNDUFDGKFN-UHFFFAOYSA-N 2 0 266.389 1.436 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]CCC(F)(F)F)C1 ZINC001714755411 1179378876 /nfs/dbraw/zinc/37/88/76/1179378876.db2.gz JNJXREZWALBMOT-NSHDSACASA-N 2 0 295.349 1.329 10 0 CDAERP CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001715384167 1179653016 /nfs/dbraw/zinc/65/30/16/1179653016.db2.gz LPNFCAMUNURZIR-UONOGXRCSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CCCF ZINC001715877980 1179891182 /nfs/dbraw/zinc/89/11/82/1179891182.db2.gz NRMASWALWDHYTR-XVWMLYKFSA-N 2 0 299.434 1.871 10 0 CDAERP O=C(NC/C=C\C[NH2+]CC1CCC1)[C@H]1C[NH+]2CCC1CC2 ZINC001716294966 1180146662 /nfs/dbraw/zinc/14/66/62/1180146662.db2.gz GCDGDJVOBDZFMC-AIMAZDRCSA-N 2 0 291.439 1.390 10 0 CDAERP C[NH+](C)CCC(=O)NC1(C)CC[NH+](CC2CC2)CC1 ZINC001716797191 1180418375 /nfs/dbraw/zinc/41/83/75/1180418375.db2.gz RGJDFNZQJZSNCO-UHFFFAOYSA-N 2 0 267.417 1.319 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@](C)(C[NH2+]CCCF)C2)C1 ZINC001724258222 1181658416 /nfs/dbraw/zinc/65/84/16/1181658416.db2.gz FLYCDZRKNFDOLY-GDBMZVCRSA-N 2 0 299.434 1.516 10 0 CDAERP CCC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001724610773 1181703716 /nfs/dbraw/zinc/70/37/16/1181703716.db2.gz GWTJMQNKPJHVBE-UONOGXRCSA-N 2 0 269.433 1.422 10 0 CDAERP CC(C)=CC[NH2+]CC1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001725072849 1181845985 /nfs/dbraw/zinc/84/59/85/1181845985.db2.gz LWHBWYDJZMJBJO-SHARSMKWSA-N 2 0 279.428 1.389 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)C1C[NH+](CC=C(C)C)C1 ZINC001725265949 1181945166 /nfs/dbraw/zinc/94/51/66/1181945166.db2.gz FINTXMMIIGAJBE-AWEZNQCLSA-N 2 0 281.444 1.731 10 0 CDAERP COCC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001725400597 1181988567 /nfs/dbraw/zinc/98/85/67/1181988567.db2.gz JKTRPRFCAUQCGD-KKUMJFAQSA-N 2 0 299.459 1.238 10 0 CDAERP CCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001725621565 1182075191 /nfs/dbraw/zinc/07/51/91/1182075191.db2.gz KZEROTMWTYDVPK-BZUAXINKSA-N 2 0 295.471 1.955 10 0 CDAERP CC[N@H+](CCCNC(=O)CC[C@@H]1CCC[NH+]1C)C1CC1 ZINC001731333004 1182326259 /nfs/dbraw/zinc/32/62/59/1182326259.db2.gz NBBFKDMZKFXLEU-AWEZNQCLSA-N 2 0 281.444 1.851 10 0 CDAERP CC/C=C/CC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001731453069 1182395352 /nfs/dbraw/zinc/39/53/52/1182395352.db2.gz CWOHBGUJKHAVHC-VCMBOFEFSA-N 2 0 293.455 1.921 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001731681561 1182515566 /nfs/dbraw/zinc/51/55/66/1182515566.db2.gz QQZNNDRORHWEEZ-CABCVRRESA-N 2 0 279.428 1.342 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001731860786 1182633633 /nfs/dbraw/zinc/63/36/33/1182633633.db2.gz NWNBEINITZYCMX-FZZYSBJUSA-N 2 0 293.455 1.733 10 0 CDAERP CCCC[NH2+]CCN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001731953873 1182697073 /nfs/dbraw/zinc/69/70/73/1182697073.db2.gz NRZFPPSVEULLMQ-UHFFFAOYSA-N 2 0 271.449 1.812 10 0 CDAERP CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001732507649 1182992247 /nfs/dbraw/zinc/99/22/47/1182992247.db2.gz JCMLNURCZXXDKB-HNNXBMFYSA-N 2 0 281.444 1.851 10 0 CDAERP Cc1cc(C[NH2+]CC[C@H](C)NC(=O)C[N@H+](C)C(C)C)on1 ZINC001732753671 1183109792 /nfs/dbraw/zinc/10/97/92/1183109792.db2.gz HHHTXIWXHUEVJU-LBPRGKRZSA-N 2 0 296.415 1.308 10 0 CDAERP C[NH+](C)CCC(=O)NC/C=C\C[NH2+]CC1CCCCC1 ZINC001732895837 1183175594 /nfs/dbraw/zinc/17/55/94/1183175594.db2.gz VLUOZOWZEOYJSM-SREVYHEPSA-N 2 0 281.444 1.780 10 0 CDAERP CCC[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001732908408 1183180493 /nfs/dbraw/zinc/18/04/93/1183180493.db2.gz MFBIWUVDGWVTKX-IDTUSYRASA-N 2 0 281.444 1.921 10 0 CDAERP CC[C@@H](C)C[NH2+]C/C=C\CNC(=O)C[NH+]1CCCC1 ZINC001732935508 1183190620 /nfs/dbraw/zinc/19/06/20/1183190620.db2.gz KPQDKVQJOTWLRD-ZRUQZJFASA-N 2 0 267.417 1.390 10 0 CDAERP CCC[NH2+]C[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001732975304 1183213776 /nfs/dbraw/zinc/21/37/76/1183213776.db2.gz YROODJBWVLANLE-ZIAGYGMSSA-N 2 0 269.433 1.755 10 0 CDAERP CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001733649118 1183489875 /nfs/dbraw/zinc/48/98/75/1183489875.db2.gz RIQKXWLJMNNLAF-GDBMZVCRSA-N 2 0 293.455 1.566 10 0 CDAERP COCCC[N@H+](C)[C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001734060489 1183642130 /nfs/dbraw/zinc/64/21/30/1183642130.db2.gz UXTUBSTVMDDSGB-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001734065660 1183646111 /nfs/dbraw/zinc/64/61/11/1183646111.db2.gz NWCGJSHBWHUIIQ-OLZOCXBDSA-N 2 0 255.406 1.031 10 0 CDAERP CC(C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001734168496 1183681220 /nfs/dbraw/zinc/68/12/20/1183681220.db2.gz PUSALZHHFSLAOU-ZSOGYDGISA-N 2 0 267.417 1.031 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCF)C1 ZINC001734212218 1183692315 /nfs/dbraw/zinc/69/23/15/1183692315.db2.gz MMVXVVSFMFPGLW-KKUMJFAQSA-N 2 0 299.434 1.561 10 0 CDAERP CC[N@@H+]1CC[C@]2(NC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001734438553 1183778820 /nfs/dbraw/zinc/77/88/20/1183778820.db2.gz HBOUVIRHBGCJAN-UKRRQHHQSA-N 2 0 267.417 1.461 10 0 CDAERP CC(C)[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C(C)(C)C ZINC001734575849 1183831246 /nfs/dbraw/zinc/83/12/46/1183831246.db2.gz KWAIAQVSYDTQLG-CYBMUJFWSA-N 2 0 269.433 1.611 10 0 CDAERP CC[C@H](C)C[C@H]([NH3+])C(=O)N1CCC([NH+](C)C)CC1 ZINC000400769303 1186376978 /nfs/dbraw/zinc/37/69/78/1186376978.db2.gz LBZMQVVVTLKPFX-AAEUAGOBSA-N 2 0 255.406 1.303 10 0 CDAERP CC[N@@H+]1CCC[C@H](CNC(=[NH2+])N2CCC(C)CC2)C1 ZINC000303268250 1186557767 /nfs/dbraw/zinc/55/77/67/1186557767.db2.gz YORUMKLNWURPCI-CQSZACIVSA-N 2 0 266.433 1.975 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)C[C@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1C ZINC000928440777 844012483 /nfs/dbraw/zinc/01/24/83/844012483.db2.gz KUXDYZYNFMDDGN-VNQPRFMTSA-N 2 0 289.423 1.888 10 0 CDAERP Cc1ccc([C@@H](O)C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925658133 844032082 /nfs/dbraw/zinc/03/20/82/844032082.db2.gz GWESEWYQZFFYCA-RRFJBIMHSA-N 2 0 260.381 1.888 10 0 CDAERP CN(C)Cc1csc(CN[C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000722383393 844045232 /nfs/dbraw/zinc/04/52/32/844045232.db2.gz SCFJHGSKQOLFBR-GHMZBOCLSA-N 2 0 268.430 1.564 10 0 CDAERP CC(C)[NH2+]CCC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000720885920 844045619 /nfs/dbraw/zinc/04/56/19/844045619.db2.gz FUYMOHKKFUARTO-OLZOCXBDSA-N 2 0 253.390 1.070 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCN[C@@H]1C[NH+]2C[C@@H]1CCC2 ZINC000924674633 844072952 /nfs/dbraw/zinc/07/29/52/844072952.db2.gz PZIIMIJWUSRYLG-QLFBSQMISA-N 2 0 251.418 1.545 10 0 CDAERP C([NH2+][C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724604517 844268420 /nfs/dbraw/zinc/26/84/20/844268420.db2.gz ANCAMZCGQLJFCZ-LGFJLYTPSA-N 2 0 280.412 1.301 10 0 CDAERP CCn1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])nn1 ZINC000714459212 844301522 /nfs/dbraw/zinc/30/15/22/844301522.db2.gz SUQWSQMOHJBIQS-TZMCWYRMSA-N 2 0 265.405 1.637 10 0 CDAERP C[C@H](N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)[C@H]1CCC[NH2+]1 ZINC000720479948 844408332 /nfs/dbraw/zinc/40/83/32/844408332.db2.gz CLDUPHWHZOXHEV-REWJHTLYSA-N 2 0 269.458 1.296 10 0 CDAERP CC1(C)C[NH2+][C@H]1C(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000818553569 844510259 /nfs/dbraw/zinc/51/02/59/844510259.db2.gz ZILXCRDBRNINSS-AWEZNQCLSA-N 2 0 273.380 1.423 10 0 CDAERP COC(=O)CCCC[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000713256043 844585411 /nfs/dbraw/zinc/58/54/11/844585411.db2.gz NOKRCYJQMHCPOB-UHFFFAOYSA-N 2 0 254.374 1.548 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@H]1CC[NH+](C)[C@@H]1C ZINC000923057916 844586749 /nfs/dbraw/zinc/58/67/49/844586749.db2.gz KFLSZXIRFCWZBY-KGLIPLIRSA-N 2 0 284.448 1.356 10 0 CDAERP CO[C@H](C)C[N@@H+]1CC[C@](C)(NC(=O)CCCC[NH+](C)C)C1 ZINC001569650858 1167564862 /nfs/dbraw/zinc/56/48/62/1167564862.db2.gz JQBHXCPHWZEVHW-ZBFHGGJFSA-N 2 0 299.459 1.334 10 0 CDAERP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857854361 843013160 /nfs/dbraw/zinc/01/31/60/843013160.db2.gz LBKAPZWDTWPOMD-LSDHHAIUSA-N 2 0 292.427 1.614 10 0 CDAERP C(C[N@H+](C1CC1)C1CC[NH2+]CC1)O[C@@H]1CCOC1 ZINC000923279634 843024504 /nfs/dbraw/zinc/02/45/04/843024504.db2.gz ANSKAWYFYHWEJQ-CQSZACIVSA-N 2 0 254.374 1.008 10 0 CDAERP CC(C)[C@H]1COCC[C@@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000924662435 843045877 /nfs/dbraw/zinc/04/58/77/843045877.db2.gz RACRVGLUBNNNQZ-SJORKVTESA-N 2 0 297.487 1.665 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000722315385 843050664 /nfs/dbraw/zinc/05/06/64/843050664.db2.gz WSISSJGZVAWXBL-IHRRRGAJSA-N 2 0 256.390 1.288 10 0 CDAERP CCCN(CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CC[NH2+]C1 ZINC000923286239 843070122 /nfs/dbraw/zinc/07/01/22/843070122.db2.gz LPDCJSJIKUYLKS-UYTSQGDYSA-N 2 0 265.445 1.981 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)NCc2ccccc2)CC[C@@H]1C[NH3+] ZINC000165318964 843196125 /nfs/dbraw/zinc/19/61/25/843196125.db2.gz DBFIKEHUUFLTRB-UKRRQHHQSA-N 2 0 275.396 1.220 10 0 CDAERP CCN(CC)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000706034618 843257659 /nfs/dbraw/zinc/25/76/59/843257659.db2.gz LSFDSFRVTMPHMP-ZIAGYGMSSA-N 2 0 284.448 1.119 10 0 CDAERP CC1CCC(N(C)C(=O)C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000923498169 843322803 /nfs/dbraw/zinc/32/28/03/843322803.db2.gz FVKOQJMABQRRQM-FYRZTWFESA-N 2 0 295.471 1.940 10 0 CDAERP COC(=O)[C@@H]1CCN(CCC[NH2+]C2CC2)[C@H](C)C1 ZINC000923550936 843325319 /nfs/dbraw/zinc/32/53/19/843325319.db2.gz HCSDSGGBYQFRAM-VXGBXAGGSA-N 2 0 254.374 1.402 10 0 CDAERP CCC[N@H+](CCO[C@H]1CCOC1)C1CC[NH2+]CC1 ZINC000724924448 843459898 /nfs/dbraw/zinc/45/98/98/843459898.db2.gz IEMXLZUSTGHWEJ-AWEZNQCLSA-N 2 0 256.390 1.256 10 0 CDAERP CC(C)CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723905273 843495794 /nfs/dbraw/zinc/49/57/94/843495794.db2.gz GEICYPVLHNBAAH-JHJVBQTASA-N 2 0 255.406 1.064 10 0 CDAERP CO[C@@](C)(CO)C[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000926662943 843512885 /nfs/dbraw/zinc/51/28/85/843512885.db2.gz OSMZKFMPNCYUSH-OAHLLOKOSA-N 2 0 272.433 1.484 10 0 CDAERP C[NH+]1CCC2(CCC[N@H+](C[C@H](O)C3CC3)C2)CC1 ZINC000838982054 843522435 /nfs/dbraw/zinc/52/24/35/843522435.db2.gz XPIIPCRVRNLJRO-AWEZNQCLSA-N 2 0 252.402 1.565 10 0 CDAERP Cn1cncc1CC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925647591 843584782 /nfs/dbraw/zinc/58/47/82/843584782.db2.gz YZJUGPCCNLWHIK-JKSUJKDBSA-N 2 0 276.428 1.721 10 0 CDAERP CC(F)(F)CCC[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000718588158 843643835 /nfs/dbraw/zinc/64/38/35/843643835.db2.gz BGCAZWLPNOIKDK-LBPRGKRZSA-N 2 0 261.360 1.401 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCC1CCOCC1 ZINC000849033273 843727479 /nfs/dbraw/zinc/72/74/79/843727479.db2.gz ZUIARCKONIUXSJ-HNNXBMFYSA-N 2 0 296.459 1.791 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCCCCCCC[NH+](C)C ZINC000841739751 843810504 /nfs/dbraw/zinc/81/05/04/843810504.db2.gz BVERYLGKNRGYKC-KBPBESRZSA-N 2 0 284.448 1.630 10 0 CDAERP CCN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923480379 843821851 /nfs/dbraw/zinc/82/18/51/843821851.db2.gz XWQAEKJEHYRBJS-SNVBAGLBSA-N 2 0 281.322 1.068 10 0 CDAERP C[C@@H]([NH3+])C1CC[NH+](C[C@@H](O)CC2CCCC2)CC1 ZINC000232121588 843834763 /nfs/dbraw/zinc/83/47/63/843834763.db2.gz NYLFDVLMVZTSED-DOMZBBRYSA-N 2 0 254.418 1.987 10 0 CDAERP CC[NH+](CC)CC[C@@H](CO)NC[C@@H](O)c1ccccc1F ZINC000843099646 843864534 /nfs/dbraw/zinc/86/45/34/843864534.db2.gz AVBHXPRLRJBCOH-XJKSGUPXSA-N 2 0 298.402 1.542 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870948345 843868663 /nfs/dbraw/zinc/86/86/63/843868663.db2.gz HLKKARGDFGYYGW-UHFFFAOYSA-N 2 0 281.444 1.613 10 0 CDAERP [NH3+]CCCCCC[NH+]1CCC([C@@H]2COC(=O)N2)CC1 ZINC000923526922 843875960 /nfs/dbraw/zinc/87/59/60/843875960.db2.gz VZWUFRZKWOHQAC-ZDUSSCGKSA-N 2 0 269.389 1.326 10 0 CDAERP Cc1csc(=O)n1CC[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714420001 843952347 /nfs/dbraw/zinc/95/23/47/843952347.db2.gz WPZBYEOYQVMURQ-UHFFFAOYSA-N 2 0 297.468 1.915 10 0 CDAERP CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923497192 844773702 /nfs/dbraw/zinc/77/37/02/844773702.db2.gz GVTHYHZEVXZPGD-RWMBFGLXSA-N 2 0 255.406 1.208 10 0 CDAERP NC(=O)Cc1cccc2c1CC[N@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000866684781 844838803 /nfs/dbraw/zinc/83/88/03/844838803.db2.gz TXOPUUGWDUAOCW-CYBMUJFWSA-N 2 0 287.407 1.072 10 0 CDAERP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000925884010 844846091 /nfs/dbraw/zinc/84/60/91/844846091.db2.gz PIJBGQJXTXDJTQ-LUKYLMHMSA-N 3 0 273.424 1.905 10 0 CDAERP [NH3+]CCCCCCC[NH+]1CCN(CC(F)F)CC1 ZINC000844222022 844934691 /nfs/dbraw/zinc/93/46/91/844934691.db2.gz QSDLIUWYCHBKFM-UHFFFAOYSA-N 2 0 263.376 1.778 10 0 CDAERP Cn1c2cc(C[N@@H+]3CC[C@@H](CC[NH3+])C3)ccc2oc1=O ZINC000923478707 845003402 /nfs/dbraw/zinc/00/34/02/845003402.db2.gz HKXZEOCLZDQSAM-LLVKDONJSA-N 2 0 275.352 1.302 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000850174767 845031310 /nfs/dbraw/zinc/03/13/10/845031310.db2.gz UMSARWFLNCDMOX-MEBFFEOJSA-N 2 0 268.401 1.646 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000094750105 845066155 /nfs/dbraw/zinc/06/61/55/845066155.db2.gz ODPAYFXZXGDJDX-KGLIPLIRSA-N 2 0 267.417 1.447 10 0 CDAERP CC(C)OCC[C@H](O)CN1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923530355 845081276 /nfs/dbraw/zinc/08/12/76/845081276.db2.gz IDADZFCZTWNVCH-GJZGRUSLSA-N 2 0 270.417 1.380 10 0 CDAERP COCC[N@H+](C)CCCN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925541579 845123772 /nfs/dbraw/zinc/12/37/72/845123772.db2.gz BXQPLCPNVWDSHP-CQSZACIVSA-N 2 0 269.433 1.219 10 0 CDAERP Cc1nccn1CCCC(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000846679204 845144833 /nfs/dbraw/zinc/14/48/33/845144833.db2.gz GBYQOJNQONTPEY-UHFFFAOYSA-N 2 0 290.411 1.702 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000870989768 845156588 /nfs/dbraw/zinc/15/65/88/845156588.db2.gz ORZUOLVBGSXNMW-DOMZBBRYSA-N 2 0 267.417 1.210 10 0 CDAERP CC(C)[NH+]1CCC(CC[NH2+]C[C@H](O)CC(C)(C)O)CC1 ZINC000872223801 845211538 /nfs/dbraw/zinc/21/15/38/845211538.db2.gz YCXSVWMWTVMGAQ-OAHLLOKOSA-N 2 0 286.460 1.608 10 0 CDAERP Cc1nccn1CC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925535108 845229518 /nfs/dbraw/zinc/22/95/18/845229518.db2.gz SYUKPGYNLBAOCB-CVEARBPZSA-N 2 0 276.428 1.949 10 0 CDAERP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925790414 845264570 /nfs/dbraw/zinc/26/45/70/845264570.db2.gz IIJCIYKAJGXPNV-KFWWJZLASA-N 2 0 289.423 1.873 10 0 CDAERP CC1(C)[C@H]([NH3+])c2ccccc2N1C(=O)C[C@H]1COCC[NH2+]1 ZINC000867988764 845321132 /nfs/dbraw/zinc/32/11/32/845321132.db2.gz UAVJMWDBPPUUIN-XHDPSFHLSA-N 2 0 289.379 1.190 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CCC(C)(C)CO1 ZINC000711241114 845336398 /nfs/dbraw/zinc/33/63/98/845336398.db2.gz WLPHXPVSNHHMOW-OLZOCXBDSA-N 2 0 258.406 1.535 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)CC1 ZINC000866269155 845464353 /nfs/dbraw/zinc/46/43/53/845464353.db2.gz BPVXYBJXWFGVEW-GJZGRUSLSA-N 2 0 282.428 1.380 10 0 CDAERP C(CN1CC[NH2+]CCC12CCC2)O[C@H]1CCOC1 ZINC000724942546 845516348 /nfs/dbraw/zinc/51/63/48/845516348.db2.gz GPYVQEQIMLBHBE-ZDUSSCGKSA-N 2 0 254.374 1.010 10 0 CDAERP COC(=O)N(C)CC[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000926710622 845585594 /nfs/dbraw/zinc/58/55/94/845585594.db2.gz BJABHJGPJKRHQZ-CHWSQXEVSA-N 2 0 269.389 1.291 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000382625484 845652813 /nfs/dbraw/zinc/65/28/13/845652813.db2.gz HSMOFEMNEJOKAT-QLFBSQMISA-N 2 0 251.418 1.402 10 0 CDAERP [NH3+]CCCCCC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000037826159 845681676 /nfs/dbraw/zinc/68/16/76/845681676.db2.gz CMUQBEWWSIXNGM-UHFFFAOYSA-N 2 0 281.444 1.840 10 0 CDAERP CCCCC[C@H](C)NC(=O)CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000312658229 845718729 /nfs/dbraw/zinc/71/87/29/845718729.db2.gz GVUKIRPYSUUWBN-AJNGGQMLSA-N 2 0 281.444 1.741 10 0 CDAERP COC[C@H](C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)OC ZINC000925630934 845733606 /nfs/dbraw/zinc/73/36/06/845733606.db2.gz FRFHIQKUDTUFTC-KKUMJFAQSA-N 2 0 270.417 1.406 10 0 CDAERP CCCN(C(=O)CCC12CC(C1)C[NH2+]2)[C@H]1CC[NH2+]C1 ZINC000870934771 845797858 /nfs/dbraw/zinc/79/78/58/845797858.db2.gz FWZZRIXYLQFECZ-OWYJLGKBSA-N 2 0 265.401 1.119 10 0 CDAERP C[C@H](C[NH2+]C[C@@H](O)CC(C)(C)O)C[NH+]1CCCCC1 ZINC000872201182 845814049 /nfs/dbraw/zinc/81/40/49/845814049.db2.gz SLUVAIJHOFROKI-KGLIPLIRSA-N 2 0 272.433 1.220 10 0 CDAERP C[NH+](C)C[C@@H]1CN(c2ccccn2)C[C@H]1C[NH+](C)C ZINC000866012404 845859180 /nfs/dbraw/zinc/85/91/80/845859180.db2.gz BLCWDQHKYQARJQ-ZIAGYGMSSA-N 2 0 262.401 1.257 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]CCCCCN2CC[NH2+]CC2)CN1C1CC1 ZINC000925844813 845862570 /nfs/dbraw/zinc/86/25/70/845862570.db2.gz LZSFCTSWRNYKCB-JKSUJKDBSA-N 2 0 294.487 1.277 10 0 CDAERP CO[C@@]1(C[NH2+]CC2CC[NH+](C)CC2)CCSC1 ZINC000719312580 845881120 /nfs/dbraw/zinc/88/11/20/845881120.db2.gz GLFWHCDFUUBNKJ-CYBMUJFWSA-N 2 0 258.431 1.440 10 0 CDAERP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccnnc1 ZINC000925024721 845885467 /nfs/dbraw/zinc/88/54/67/845885467.db2.gz XAMSFXAFSWFWQD-ZFWWWQNUSA-N 2 0 278.400 1.364 10 0 CDAERP CN(C[C@@H](O)c1ccc(F)cn1)C[C@H]1CCC[N@H+](C)C1 ZINC000799304337 845937010 /nfs/dbraw/zinc/93/70/10/845937010.db2.gz WOGZEAGFUBNZHI-SWLSCSKDSA-N 2 0 281.375 1.528 10 0 CDAERP C[C@H]1[C@H](C)OC[C@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000925215147 845940583 /nfs/dbraw/zinc/94/05/83/845940583.db2.gz LPZWZPDHXMZUFR-KCQAQPDRSA-N 2 0 269.433 1.025 10 0 CDAERP C[C@H](c1cccc(F)c1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923461022 846062370 /nfs/dbraw/zinc/06/23/70/846062370.db2.gz JFBACKIKPHMJSX-GFCCVEGCSA-N 2 0 251.349 1.382 10 0 CDAERP C[S@@](=O)CC[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000829477897 846064398 /nfs/dbraw/zinc/06/43/98/846064398.db2.gz SUBZTRLYIBDAKU-ZUOKHONESA-N 2 0 295.452 1.777 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000852865539 846072307 /nfs/dbraw/zinc/07/23/07/846072307.db2.gz GVXJSZQUCXPPJB-OAHLLOKOSA-N 2 0 277.412 1.383 10 0 CDAERP C[C@H]1C[C@H]1NC(=[NH2+])NCc1ccc(OCC[NH+](C)C)cc1 ZINC000864451123 846080109 /nfs/dbraw/zinc/08/01/09/846080109.db2.gz ADNOCNQEKCATIY-SWLSCSKDSA-N 2 0 290.411 1.649 10 0 CDAERP C[NH+](C)CCc1ccc(C[NH2+]C[C@H](O)C2CC2)cc1 ZINC000819251861 846098885 /nfs/dbraw/zinc/09/88/85/846098885.db2.gz LTZVINZAGQZDII-INIZCTEOSA-N 2 0 262.397 1.651 10 0 CDAERP CON(C)C(=O)CC[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000799116410 846108643 /nfs/dbraw/zinc/10/86/43/846108643.db2.gz KNQSEIPCYRGMKW-UHFFFAOYSA-N 2 0 271.405 1.060 10 0 CDAERP CO[C@H](C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)C1CCC1 ZINC000852747992 846188915 /nfs/dbraw/zinc/18/89/15/846188915.db2.gz FNMJVTZSYSKJGX-CABCVRRESA-N 2 0 252.402 1.877 10 0 CDAERP COc1ccc(OCC[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000710041482 846230021 /nfs/dbraw/zinc/23/00/21/846230021.db2.gz NJEVOBGTQNMAFZ-CABCVRRESA-N 2 0 276.380 1.934 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1cncc2ccccc21 ZINC000706669341 846260599 /nfs/dbraw/zinc/26/05/99/846260599.db2.gz GYKLHFJRXVNODQ-UHFFFAOYSA-N 2 0 273.380 1.903 10 0 CDAERP COCC[N@@H+]1CC[C@@H](N[C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000925555431 846269408 /nfs/dbraw/zinc/26/94/08/846269408.db2.gz FYEWRSTVQOGOGQ-APIJFGDWSA-N 2 0 281.444 1.073 10 0 CDAERP CC[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)[C@@H]1CCCOC1 ZINC000872034655 846278806 /nfs/dbraw/zinc/27/88/06/846278806.db2.gz QCWVDFZFLVZNCQ-OAGGEKHMSA-N 2 0 283.460 1.417 10 0 CDAERP COC1CCN(CC[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925543432 846289351 /nfs/dbraw/zinc/28/93/51/846289351.db2.gz SUKBQFOPKVFTEM-UONOGXRCSA-N 2 0 283.460 1.593 10 0 CDAERP C[C@H]([NH2+]CCc1nnc2ccccn21)[C@@H]1CCC[NH2+]C1 ZINC000711037220 846431160 /nfs/dbraw/zinc/43/11/60/846431160.db2.gz VKAAYOKRQJIUQJ-QWHCGFSZSA-N 2 0 273.384 1.250 10 0 CDAERP C=C/C=C\CC[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923446708 846459715 /nfs/dbraw/zinc/45/97/15/846459715.db2.gz NHMIHWDWRDGHDM-VQTKUKTRSA-N 2 0 250.386 1.949 10 0 CDAERP O=C(CCC12CC(C1)C[NH2+]2)N1CC[NH+](C2CCC2)CC1 ZINC000870886669 846549950 /nfs/dbraw/zinc/54/99/50/846549950.db2.gz OZIPPFILVOMWPS-UHFFFAOYSA-N 2 0 277.412 1.215 10 0 CDAERP CC[C@H](C)NC(=O)CN1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866703421 846559478 /nfs/dbraw/zinc/55/94/78/846559478.db2.gz MCTINEHWWIPXLR-SWLSCSKDSA-N 2 0 269.433 1.598 10 0 CDAERP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000849023872 846570286 /nfs/dbraw/zinc/57/02/86/846570286.db2.gz ITWBBJUWEREBPT-STQMWFEESA-N 2 0 282.432 1.400 10 0 CDAERP CC[C@@H]([C@H]1CCOC1)[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000710164887 846746446 /nfs/dbraw/zinc/74/64/46/846746446.db2.gz AIFKZFMYJFWKAU-JQWIXIFHSA-N 2 0 281.425 1.775 10 0 CDAERP CC1CC[NH+](CCCCNC(=[NH2+])NC[C@@H]2CCCO2)CC1 ZINC000848989320 846761262 /nfs/dbraw/zinc/76/12/62/846761262.db2.gz NXSKZIBGLSSSBB-HNNXBMFYSA-N 2 0 296.459 1.791 10 0 CDAERP [NH3+]CCCCCCCN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000843379077 846772550 /nfs/dbraw/zinc/77/25/50/846772550.db2.gz TYXKYXCBENBODN-INIZCTEOSA-N 2 0 276.428 1.937 10 0 CDAERP O=C(CC[N@@H+]1CCc2ccccc2C1)OCCn1ccnc1 ZINC000786825439 846799492 /nfs/dbraw/zinc/79/94/92/846799492.db2.gz GIUMJSNMRVWXFC-UHFFFAOYSA-N 2 0 299.374 1.875 10 0 CDAERP CCN1C[C@H](CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)OC1=O ZINC000846813183 846800758 /nfs/dbraw/zinc/80/07/58/846800758.db2.gz YTWSUDCYJCECIE-XQQFMLRXSA-N 2 0 269.389 1.242 10 0 CDAERP CC[NH2+]Cc1ccccc1NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000237076983 846802305 /nfs/dbraw/zinc/80/23/05/846802305.db2.gz VVGKKOBTSRIHRI-AAEUAGOBSA-N 2 0 261.369 1.862 10 0 CDAERP C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@H](C[NH3+])C3CCCC3)[C@H]2C1 ZINC000333791400 846810339 /nfs/dbraw/zinc/81/03/39/846810339.db2.gz GGCBFLIJQNEOPF-KFWWJZLASA-N 2 0 294.443 1.240 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=S)NCC[NH+](C)C ZINC000853045737 846886908 /nfs/dbraw/zinc/88/69/08/846886908.db2.gz XBBTYPQZTXAEGP-UHFFFAOYSA-N 2 0 274.478 1.133 10 0 CDAERP C[N@H+](CCCCCC[NH3+])CC(=O)N1CCCCCC1 ZINC000710833904 846910872 /nfs/dbraw/zinc/91/08/72/846910872.db2.gz NREKXGSEYXRWFL-UHFFFAOYSA-N 2 0 269.433 1.840 10 0 CDAERP CC(C)OCC[C@H](O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923494688 846966718 /nfs/dbraw/zinc/96/67/18/846966718.db2.gz ZYSWSLFGWBNUJI-MCIONIFRSA-N 2 0 258.406 1.079 10 0 CDAERP COC(=O)/C(C)=C/C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000700734817 847018666 /nfs/dbraw/zinc/01/86/66/847018666.db2.gz VZMVENGTTSFMKT-WLRTZDKTSA-N 2 0 268.401 1.769 10 0 CDAERP CSC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000923391949 847071556 /nfs/dbraw/zinc/07/15/56/847071556.db2.gz HCKKOQBMKXEWGB-DGAVXFQQSA-N 2 0 288.457 1.071 10 0 CDAERP [NH3+]C[C@@H]1CN(CCOC2CCOCC2)C[C@H]1C(F)(F)F ZINC000709875742 847105809 /nfs/dbraw/zinc/10/58/09/847105809.db2.gz QXUHRRVOZDKOSF-ZYHUDNBSSA-N 2 0 296.333 1.251 10 0 CDAERP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H](O)CCC2(O)CCC2)C1 ZINC000929747539 847152883 /nfs/dbraw/zinc/15/28/83/847152883.db2.gz FJIASZJFJDUSBL-CVEARBPZSA-N 2 0 298.471 1.706 10 0 CDAERP C[C@@H]1[C@@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)CO[C@H]1C ZINC000924962070 847185303 /nfs/dbraw/zinc/18/53/03/847185303.db2.gz ZFZADRUVJCILKQ-DZKIICNBSA-N 2 0 283.460 1.273 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCC[NH+]3CCSC[C@@H]23)C1 ZINC000928080897 847202262 /nfs/dbraw/zinc/20/22/62/847202262.db2.gz RANQGBYUSJDROM-RDBSUJKOSA-N 2 0 297.468 1.024 10 0 CDAERP C[C@@H]1CCC[N@H+](CCN[C@H]2CC[NH2+]C23CCC3)C1 ZINC000925551382 847243968 /nfs/dbraw/zinc/24/39/68/847243968.db2.gz QOUALVYKUASFHC-KGLIPLIRSA-N 2 0 251.418 1.593 10 0 CDAERP C[NH+](C)CCC[C@H]1C[N@H+](C[C@@H]2CCC=CO2)CCO1 ZINC000827855486 847328837 /nfs/dbraw/zinc/32/88/37/847328837.db2.gz DWPUSSVHKCYHFF-GJZGRUSLSA-N 2 0 268.401 1.722 10 0 CDAERP [NH3+]CCCCCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000846220301 847358327 /nfs/dbraw/zinc/35/83/27/847358327.db2.gz ODFWCDJKTZGGKA-GJZGRUSLSA-N 3 0 253.434 1.970 10 0 CDAERP CCc1onc(C)c1C[NH+]1CCC(C[NH2+]C)CC1 ZINC000923291452 847366297 /nfs/dbraw/zinc/36/62/97/847366297.db2.gz SNIWPRDLTQIFCS-UHFFFAOYSA-N 2 0 251.374 1.977 10 0 CDAERP O=C(CC[NH2+]CC1CC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000870893601 847385102 /nfs/dbraw/zinc/38/51/02/847385102.db2.gz ZLPVZSANABZTFU-UHFFFAOYSA-N 2 0 293.455 1.711 10 0 CDAERP Cc1cc(NC[C@H]2CCC[N@@H+]2Cc2ccccc2)nc(N)[nH+]1 ZINC000390765763 847439082 /nfs/dbraw/zinc/43/90/82/847439082.db2.gz HUOSQNKYYLJUSC-OAHLLOKOSA-N 2 0 297.406 1.696 10 0 CDAERP OC1CC[NH+](CCCN[C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925505270 847562113 /nfs/dbraw/zinc/56/21/13/847562113.db2.gz SDRYPZRRNGRUPF-OAHLLOKOSA-N 2 0 281.444 1.098 10 0 CDAERP C[C@H]1C[N@H+](CC(=O)N(C)Cc2ccccc2)CC[C@@H]1C[NH3+] ZINC000923506458 847569938 /nfs/dbraw/zinc/56/99/38/847569938.db2.gz FPCRCVJHPUHUNZ-GOEBONIOSA-N 2 0 289.423 1.562 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000715573393 847596498 /nfs/dbraw/zinc/59/64/98/847596498.db2.gz VFXINFDHRUOROG-YXWQFLTLSA-N 2 0 279.428 1.365 10 0 CDAERP C[C@@H](C(=O)N1CCCCC1)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923501656 847604708 /nfs/dbraw/zinc/60/47/08/847604708.db2.gz RVKVZSPYOOGXLV-HZSPNIEDSA-N 2 0 267.417 1.304 10 0 CDAERP C[C@@H]1CCC[C@H]([NH2+]CCN2CCC([NH3+])CC2)[C@H]1C ZINC000925813553 847612688 /nfs/dbraw/zinc/61/26/88/847612688.db2.gz WAEHZCXWTMAZAY-IPYPFGDCSA-N 2 0 253.434 1.824 10 0 CDAERP CC(C)OCC[C@H](O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000923413075 847625156 /nfs/dbraw/zinc/62/51/56/847625156.db2.gz BFKZPULSVQJCLC-ILXRZTDVSA-N 2 0 270.417 1.236 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923326820 847630629 /nfs/dbraw/zinc/63/06/29/847630629.db2.gz NKGRJTXKBKLFLE-GJZGRUSLSA-N 3 0 281.444 1.029 10 0 CDAERP CO[C@H]1CCCC[C@@H]1[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925663504 847650453 /nfs/dbraw/zinc/65/04/53/847650453.db2.gz UPYSNILORHOSJD-YQFOFLOKSA-N 2 0 250.386 1.530 10 0 CDAERP CCC1([NH+](C)C)CCN(C[C@H]([NH3+])CC(F)F)CC1 ZINC000715177380 847663480 /nfs/dbraw/zinc/66/34/80/847663480.db2.gz ITLUPKFCGLIGAM-LLVKDONJSA-N 2 0 263.376 1.775 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000848557700 847672789 /nfs/dbraw/zinc/67/27/89/847672789.db2.gz JMRCRQOYFBAVQC-MCIONIFRSA-N 2 0 297.443 1.926 10 0 CDAERP CC(C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)=C1CCC1 ZINC000870018313 847766103 /nfs/dbraw/zinc/76/61/03/847766103.db2.gz YLLYOZFESIIRRU-HZPDHXFCSA-N 2 0 293.455 1.685 10 0 CDAERP CCN1CC[NH+](CCCC[NH2+]CC2(O)CCCCC2)CC1 ZINC000819060340 847771286 /nfs/dbraw/zinc/77/12/86/847771286.db2.gz HDWGUKZFHWQHMI-UHFFFAOYSA-N 2 0 297.487 1.689 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CC[NH2+]CC1CC1 ZINC000717196288 847816248 /nfs/dbraw/zinc/81/62/48/847816248.db2.gz JQURQMGXSHAESK-OCCSQVGLSA-N 2 0 265.401 1.071 10 0 CDAERP O[C@@H](C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000819274128 847837256 /nfs/dbraw/zinc/83/72/56/847837256.db2.gz HKVSVKNVKBWLNU-RDJZCZTQSA-N 2 0 274.408 1.869 10 0 CDAERP O[C@H](C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)c1ccc(F)cc1 ZINC000923414327 847843638 /nfs/dbraw/zinc/84/36/38/847843638.db2.gz LALZAEAZWFLWCQ-VNQPRFMTSA-N 2 0 278.371 1.933 10 0 CDAERP Cc1nc(C)c(CN2CCC(C)([NH+](C)C)CC2)[nH]1 ZINC000724789639 847934952 /nfs/dbraw/zinc/93/49/52/847934952.db2.gz KUCPXSVXNZGABE-UHFFFAOYSA-N 2 0 250.390 1.943 10 0 CDAERP C[C@H]1NCCC[C@@H]1[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000715574585 847938917 /nfs/dbraw/zinc/93/89/17/847938917.db2.gz ZIVSQOMPKRIHEA-JLVJUDLZSA-N 2 0 253.434 1.979 10 0 CDAERP COCC[C@H](C)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923449142 847974559 /nfs/dbraw/zinc/97/45/59/847974559.db2.gz KIRVYBMZXPISTP-STQMWFEESA-N 2 0 256.390 1.241 10 0 CDAERP CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001266712798 895887047 /nfs/dbraw/zinc/88/70/47/895887047.db2.gz DSLMVYZMNAATMV-FRRDWIJNSA-N 2 0 255.406 1.364 10 0 CDAERP CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)CC[NH+](C)C)C1 ZINC001542407931 1167934481 /nfs/dbraw/zinc/93/44/81/1167934481.db2.gz WOPKJCBUXCRCQG-KGLIPLIRSA-N 2 0 269.433 1.422 10 0 CDAERP C[NH+](C)CCC(=O)NCCC[N@H+](C)CC1CCCC1 ZINC001566488855 1168305606 /nfs/dbraw/zinc/30/56/06/1168305606.db2.gz IGAZEFAKWPOOGP-UHFFFAOYSA-N 2 0 269.433 1.566 10 0 CDAERP CCCC[NH2+][C@@H](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001567230588 1168631681 /nfs/dbraw/zinc/63/16/81/1168631681.db2.gz MHOLKDJQMRSJQW-KBPBESRZSA-N 2 0 269.433 1.613 10 0 CDAERP CCC[N@@H+]1CCCC[C@H]1C(=O)NCC(C)(C)n1ccnc1 ZINC001647424531 1168676608 /nfs/dbraw/zinc/67/66/08/1168676608.db2.gz APPBPNRNJIXBKL-AWEZNQCLSA-N 2 0 292.427 1.999 10 0 CDAERP CCCCC[N@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001266321140 894374710 /nfs/dbraw/zinc/37/47/10/894374710.db2.gz SHWSGVWLVAUBLS-UHFFFAOYSA-N 2 0 269.433 1.566 10 0 CDAERP CCC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001266339756 894448759 /nfs/dbraw/zinc/44/87/59/894448759.db2.gz XCOVKBLLPPFNJR-LQYUOIDQSA-N 2 0 281.444 1.875 10 0 CDAERP CC/C=C/CC[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001266659512 895712281 /nfs/dbraw/zinc/71/22/81/895712281.db2.gz DRELZKUNCVTSRM-GJBLVYBDSA-N 2 0 267.417 1.485 10 0 CDAERP Cc1ccc(C[NH2+]CCN(C)C(=O)CC[NH+](C)C)cc1F ZINC001266827289 896137589 /nfs/dbraw/zinc/13/75/89/896137589.db2.gz QTZACKUSUIBNQZ-UHFFFAOYSA-N 2 0 295.402 1.634 10 0 CDAERP CC(C)[NH2+]CCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001267109362 896815241 /nfs/dbraw/zinc/81/52/41/896815241.db2.gz GUNAKALUDKWZLM-BETUJISGSA-N 2 0 255.406 1.316 10 0 CDAERP CN(CC[NH2+]Cc1cc(F)cc(F)c1)C(=O)CC[NH+](C)C ZINC001267424653 897890944 /nfs/dbraw/zinc/89/09/44/897890944.db2.gz XQVLHPQWJJFYCS-UHFFFAOYSA-N 2 0 299.365 1.465 10 0 CDAERP Cc1cccnc1C[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+](C)C ZINC001419705036 898461378 /nfs/dbraw/zinc/46/13/78/898461378.db2.gz FLZKGKSTEDTDFY-CQSZACIVSA-N 2 0 292.427 1.278 10 0 CDAERP CC[C@@H](C)C[N@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)C1CC1 ZINC001481186319 899084698 /nfs/dbraw/zinc/08/46/98/899084698.db2.gz OTIWOLLNCUZSCC-HUUCEWRRSA-N 2 0 295.471 1.955 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NCC[C@H]2CC[NH+](CCCF)C2)C1 ZINC001481455579 900725973 /nfs/dbraw/zinc/72/59/73/900725973.db2.gz BEFCZTSHAGHSFK-LSDHHAIUSA-N 2 0 299.434 1.516 10 0 CDAERP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@H]1[NH2+]CCF ZINC001268138118 901383588 /nfs/dbraw/zinc/38/35/88/901383588.db2.gz AMDHRMKGTHMIJC-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP O=C1OCCN1CC[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000692920029 901528079 /nfs/dbraw/zinc/52/80/79/901528079.db2.gz BXVYJHGICULLDG-AWEZNQCLSA-N 2 0 281.400 1.150 10 0 CDAERP CC(C)C[N@H+](C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001268254842 901677715 /nfs/dbraw/zinc/67/77/15/901677715.db2.gz FARHEYYZPMSNRG-UHFFFAOYSA-N 2 0 267.417 1.128 10 0 CDAERP CCC[N@H+](C)CC(=O)NCC1C[NH+](CC2CC(C)(C)C2)C1 ZINC001481655500 901727570 /nfs/dbraw/zinc/72/75/70/901727570.db2.gz CTAKDEBTGITMQO-UHFFFAOYSA-N 2 0 295.471 1.812 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC[C@H](C)F)C1)[NH+](C)C ZINC001481703486 901844626 /nfs/dbraw/zinc/84/46/26/901844626.db2.gz NOMAXWHGEXKVMM-MJBXVCDLSA-N 2 0 287.423 1.511 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)Cn2ccnc2)C1 ZINC001481710158 901892249 /nfs/dbraw/zinc/89/22/49/901892249.db2.gz FIZDTTMHYKYOLC-RDFMZFSFSA-N 2 0 276.384 1.430 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]([NH2+]CC)C(C)C)C1 ZINC001422115539 902299064 /nfs/dbraw/zinc/29/90/64/902299064.db2.gz CWNABNTYMLXMKF-HUUCEWRRSA-N 2 0 283.460 1.859 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC1CCCC1 ZINC001268525699 902507453 /nfs/dbraw/zinc/50/74/53/902507453.db2.gz ZBPHFMDMYZRKNX-MBVDDHJVSA-N 2 0 279.428 1.533 10 0 CDAERP C[C@@H](CNC(=O)Cc1ncc[nH]1)C[NH2+]CC1CCCC1 ZINC001482153776 902773219 /nfs/dbraw/zinc/77/32/19/902773219.db2.gz AXGFIGYHOQMTKU-GFCCVEGCSA-N 2 0 278.400 1.484 10 0 CDAERP CC[NH+](CC)C[C@H]1CCN(C(=O)CC[N@@H+]2CC[C@@H](F)C2)C1 ZINC001362157174 903269444 /nfs/dbraw/zinc/26/94/44/903269444.db2.gz XPFNJOBHCKCGNH-HUUCEWRRSA-N 2 0 299.434 1.611 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001270122264 904379303 /nfs/dbraw/zinc/37/93/03/904379303.db2.gz YBIUOHIDUAQYSE-KGLIPLIRSA-N 2 0 299.434 1.657 10 0 CDAERP CCC(CC)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482364029 905203537 /nfs/dbraw/zinc/20/35/37/905203537.db2.gz AIMDTUSASGNZJV-DZGCQCFKSA-N 2 0 283.460 1.811 10 0 CDAERP COCC[NH2+]C[C@H](C)N(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001271215485 906183122 /nfs/dbraw/zinc/18/31/22/906183122.db2.gz GQBWUQRHMFQHPM-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP CCC[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001271450584 906433906 /nfs/dbraw/zinc/43/39/06/906433906.db2.gz VOKHOERTUIRQFQ-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)C(C)C ZINC001271758653 906778841 /nfs/dbraw/zinc/77/88/41/906778841.db2.gz CTLSLVKVQKSCOV-KBPBESRZSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)C[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001482624157 908074165 /nfs/dbraw/zinc/07/41/65/908074165.db2.gz PANNEPXKHUGKBD-GJZGRUSLSA-N 2 0 283.460 1.763 10 0 CDAERP CC[C@H](C(=O)N[C@@H](C)CC[NH2+]CC1CCOCC1)[NH+](C)C ZINC001482848107 908426064 /nfs/dbraw/zinc/42/60/64/908426064.db2.gz XBLOFUPDKZMSHP-DZGCQCFKSA-N 2 0 299.459 1.238 10 0 CDAERP CCN(CC[NH2+]C[C@H]1CC(C)(C)CO1)C(=O)CC[NH+](C)C ZINC001482946892 908531672 /nfs/dbraw/zinc/53/16/72/908531672.db2.gz BCZCKDKQYUHOGJ-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP CC[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001483017753 908694278 /nfs/dbraw/zinc/69/42/78/908694278.db2.gz MFOZZRZZDUVCEP-IYKSTZQJSA-N 2 0 279.428 1.675 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC1CC1 ZINC001567958211 1169095497 /nfs/dbraw/zinc/09/54/97/1169095497.db2.gz KCEJPFHZVBSYNC-KWCYVHTRSA-N 2 0 267.417 1.221 10 0 CDAERP CC(C)[C@H](C(=O)N1CC[N@H+](C)C(C)(C)CC1)[C@@H](C)[NH3+] ZINC000712623908 909573604 /nfs/dbraw/zinc/57/36/04/909573604.db2.gz ZZAOCBIEMSSENI-OLZOCXBDSA-N 2 0 269.433 1.549 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)C(C)(C)[C@@H]([NH3+])C(C)C ZINC000713021617 909601113 /nfs/dbraw/zinc/60/11/13/909601113.db2.gz JDCZQFKVFXSPIH-ZDUSSCGKSA-N 2 0 271.449 1.796 10 0 CDAERP C[C@@H](NC(=O)C1CC[NH+](CC2CC2)CC1)[C@H](C)[NH2+]CCF ZINC001409418419 910383066 /nfs/dbraw/zinc/38/30/66/910383066.db2.gz IWBZLOWAXORRRC-QWHCGFSZSA-N 2 0 299.434 1.561 10 0 CDAERP CC/C=C/CC[NH2+]C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001483284285 910794614 /nfs/dbraw/zinc/79/46/14/910794614.db2.gz IBDFAIQIFQTTSN-NNTXTVRGSA-N 2 0 279.428 1.533 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC001483569942 911276119 /nfs/dbraw/zinc/27/61/19/911276119.db2.gz GGRPQMPMVRLBLA-HZPDHXFCSA-N 2 0 293.455 1.921 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001483569939 911276247 /nfs/dbraw/zinc/27/62/47/911276247.db2.gz GGRPQMPMVRLBLA-CVEARBPZSA-N 2 0 293.455 1.921 10 0 CDAERP CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCCC[NH+](C)C ZINC001484462712 915790577 /nfs/dbraw/zinc/79/05/77/915790577.db2.gz DHTMKHLMMQHKOL-GJZGRUSLSA-N 2 0 281.444 1.804 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](C/C=C/Cl)CC1 ZINC001484723114 916079345 /nfs/dbraw/zinc/07/93/45/916079345.db2.gz LVLAVWHHHHXXJF-FLUIGGAXSA-N 2 0 287.835 1.661 10 0 CDAERP CCOCC[NH2+]C1(C)CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001484923198 916278129 /nfs/dbraw/zinc/27/81/29/916278129.db2.gz HKHBAHMPPIDAAY-AWEZNQCLSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)C[NH2+]CC1CC(NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001485093289 916505433 /nfs/dbraw/zinc/50/54/33/916505433.db2.gz DYNFGZIGSPVXQS-UHFFFAOYSA-N 2 0 281.444 1.611 10 0 CDAERP CCC[N@H+](C)CC(=O)NC1CC(C[NH2+]Cc2ccon2)C1 ZINC001485109211 916532337 /nfs/dbraw/zinc/53/23/37/916532337.db2.gz VOJHIZNBPJHRNK-UHFFFAOYSA-N 2 0 294.399 1.001 10 0 CDAERP CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001485180704 916629363 /nfs/dbraw/zinc/62/93/63/916629363.db2.gz GBSGMBBHUMJZAD-QWHCGFSZSA-N 2 0 269.433 1.754 10 0 CDAERP C[C@@H]([NH2+]CCC1CC1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001485188663 916646770 /nfs/dbraw/zinc/64/67/70/916646770.db2.gz IQZXMGXHHWIWLQ-NEPJUHHUSA-N 2 0 255.406 1.221 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001485187637 916648490 /nfs/dbraw/zinc/64/84/90/916648490.db2.gz DVXTYQKTPALGLH-KGLIPLIRSA-N 2 0 281.444 1.777 10 0 CDAERP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)[NH2+]CCCCCF ZINC001485218079 916660904 /nfs/dbraw/zinc/66/09/04/916660904.db2.gz XXCCZFNFLKPFIL-UONOGXRCSA-N 2 0 299.434 1.705 10 0 CDAERP CC(C)C[N@H+](C)[C@@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001485373735 916907249 /nfs/dbraw/zinc/90/72/49/916907249.db2.gz VRHZWQXHYYESIZ-KBPBESRZSA-N 2 0 269.433 1.421 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@H](C)C1C[NH+](C(C)C)C1 ZINC001485506624 917046472 /nfs/dbraw/zinc/04/64/72/917046472.db2.gz OTEOLWHIJXIDIO-OCCSQVGLSA-N 2 0 287.423 1.511 10 0 CDAERP CCC[NH+]1CC([C@@H](C)NC(=O)C[N@H+](C)C(C)C)C1 ZINC001485540057 917069339 /nfs/dbraw/zinc/06/93/39/917069339.db2.gz QMSVKDJNTJWLLI-GFCCVEGCSA-N 2 0 255.406 1.173 10 0 CDAERP C[C@@H](CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]CC1CC1 ZINC001485886307 920547157 /nfs/dbraw/zinc/54/71/57/920547157.db2.gz UHURYJBLFBUBBY-DZGCQCFKSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[NH2+][C@H](C)CN(C)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001485949747 920591745 /nfs/dbraw/zinc/59/17/45/920591745.db2.gz CRNSRYTYUGHMFQ-HIFRSBDPSA-N 2 0 267.417 1.317 10 0 CDAERP C[NH+](C)CCCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCF)[C@@H]2C1 ZINC001486160241 920762990 /nfs/dbraw/zinc/76/29/90/920762990.db2.gz HAFWOXKNZANWKA-ZNMIVQPWSA-N 2 0 299.434 1.514 10 0 CDAERP Cc1conc1C[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001491048918 936846279 /nfs/dbraw/zinc/84/62/79/936846279.db2.gz YMMKXVIAZKIOAC-BETUJISGSA-N 2 0 294.399 1.062 10 0 CDAERP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CCO[C@H]3CCOC3)C2)C1 ZINC000923387696 923802984 /nfs/dbraw/zinc/80/29/84/923802984.db2.gz JZARCCKKTLJWBZ-FZKCQIBNSA-N 2 0 298.427 1.010 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001491160480 936867211 /nfs/dbraw/zinc/86/72/11/936867211.db2.gz JFERQIUCBRXBMI-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP CO[C@H](C)C[NH2+]C[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001491190095 936871458 /nfs/dbraw/zinc/87/14/58/936871458.db2.gz HRXSCEYSHMSFMQ-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@@H](CC[NH2+]Cc1ccccn1)NC(=O)C[NH+]1CCCC1 ZINC001273184634 923914740 /nfs/dbraw/zinc/91/47/40/923914740.db2.gz SUXRXZNOYQJIGI-AWEZNQCLSA-N 2 0 290.411 1.162 10 0 CDAERP Cc1cc(C[NH3+])cc(NC(=O)[C@H]2CCCC[C@H]2[NH3+])c1 ZINC001118270699 924090103 /nfs/dbraw/zinc/09/01/03/924090103.db2.gz NHUAOBMENQRIAT-UONOGXRCSA-N 2 0 261.369 1.910 10 0 CDAERP CC[C@H](F)C[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001491480678 936922035 /nfs/dbraw/zinc/92/20/35/936922035.db2.gz LMCNRDFXULOONC-RYUDHWBXSA-N 2 0 273.396 1.313 10 0 CDAERP [NH3+]Cc1cccc(-n2cc(C[NH2+]CC3CC3)nn2)c1 ZINC001118979445 924969196 /nfs/dbraw/zinc/96/91/96/924969196.db2.gz UGAJHMFKROCIBJ-UHFFFAOYSA-N 2 0 257.341 1.226 10 0 CDAERP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC001119067298 925010733 /nfs/dbraw/zinc/01/07/33/925010733.db2.gz HFBJRZKSTHMOCY-JYKNGBAOSA-N 2 0 265.401 1.103 10 0 CDAERP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]CC[C@@H]1CCCO1 ZINC001410518973 925866952 /nfs/dbraw/zinc/86/69/52/925866952.db2.gz XPIDUORUQWDTOC-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C[NH2+]CC2CCC2)C1 ZINC001489043478 926775590 /nfs/dbraw/zinc/77/55/90/926775590.db2.gz HGLOFWKRNBVNDI-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1C ZINC001489271232 926862631 /nfs/dbraw/zinc/86/26/31/926862631.db2.gz GOWUSAJHBFFGHE-GUTXKFCHSA-N 2 0 299.434 1.798 10 0 CDAERP C[N@@H+](C/C=C/Cl)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001490214956 927016608 /nfs/dbraw/zinc/01/66/08/927016608.db2.gz FEVPSJQQGLWNLB-OQHXTRMZSA-N 2 0 287.835 1.661 10 0 CDAERP CC(C)=CC[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001490234256 927041827 /nfs/dbraw/zinc/04/18/27/927041827.db2.gz VTOHCGHKAZEOAC-CQSZACIVSA-N 2 0 267.417 1.485 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](C)CCCO ZINC001490255410 927065113 /nfs/dbraw/zinc/06/51/13/927065113.db2.gz BQEJKAXBOQSTEH-HNNXBMFYSA-N 2 0 299.459 1.070 10 0 CDAERP C[C@H](F)CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001490381179 927139351 /nfs/dbraw/zinc/13/93/51/927139351.db2.gz NEHHDSIZFNMOEE-DZGCQCFKSA-N 2 0 299.434 1.799 10 0 CDAERP CC(C)(C(=O)NCCC[N@H+](CCF)C1CC1)[NH+]1CCCC1 ZINC001490380832 927139631 /nfs/dbraw/zinc/13/96/31/927139631.db2.gz IYEMJOBOUSEGEB-UHFFFAOYSA-N 2 0 299.434 1.801 10 0 CDAERP COC(CC[N@@H+]1CCCC2(CC[NH+](C)CC2)C1)OC ZINC000852007940 927686832 /nfs/dbraw/zinc/68/68/32/927686832.db2.gz RHPPTEMIYGYFGB-UHFFFAOYSA-N 2 0 270.417 1.803 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)C=C2CC[NH2+]CC2)cc1 ZINC000852797813 927873890 /nfs/dbraw/zinc/87/38/90/927873890.db2.gz BSHKNGPBIBQOTO-LBPRGKRZSA-N 2 0 273.380 1.632 10 0 CDAERP CC[C@H](F)C[NH2+]C1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001411282616 929052961 /nfs/dbraw/zinc/05/29/61/929052961.db2.gz RICHPDBYCJBSOF-HSBZDZAISA-N 2 0 297.418 1.409 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H](C)[C@H](O)c1cccc(F)c1 ZINC000817919501 930630835 /nfs/dbraw/zinc/63/08/35/930630835.db2.gz RXABFUNNCWUEOK-UGFHNGPFSA-N 2 0 284.375 1.591 10 0 CDAERP CCCCC[NH2+]C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001275410687 931776957 /nfs/dbraw/zinc/77/69/57/931776957.db2.gz OLIRMPRGMJGJAL-ZDUSSCGKSA-N 2 0 267.417 1.367 10 0 CDAERP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCCN(c2ccc(C)cc2)CC1 ZINC000846219953 931996161 /nfs/dbraw/zinc/99/61/61/931996161.db2.gz DLUQDABOVODUNW-QGZVFWFLSA-N 2 0 291.439 1.478 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001412481748 932448712 /nfs/dbraw/zinc/44/87/12/932448712.db2.gz OUSBCQPXDNHVTP-BZUAXINKSA-N 2 0 295.471 1.953 10 0 CDAERP CCO[C@H](CN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1)C[NH+](C)C ZINC000925839087 932944645 /nfs/dbraw/zinc/94/46/45/932944645.db2.gz PSNUGNLEHOFWQN-BFHYXJOUSA-N 2 0 271.449 1.449 10 0 CDAERP Cc1ccccc1[C@@H](O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000686008644 933762968 /nfs/dbraw/zinc/76/29/68/933762968.db2.gz AFFOIIWPJPHOBB-ZBFHGGJFSA-N 2 0 262.397 1.912 10 0 CDAERP C([NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)[C@@H]1CCOC1 ZINC001119630887 937741706 /nfs/dbraw/zinc/74/17/06/937741706.db2.gz KBDZOROBDDKICM-QEJZJMRPSA-N 2 0 252.402 1.781 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC(=O)NCC1([NH+](C)C)CCCC1 ZINC000722550003 945085568 /nfs/dbraw/zinc/08/55/68/945085568.db2.gz NJYKUWSHRLFIQX-CHWSQXEVSA-N 2 0 267.417 1.223 10 0 CDAERP CCCCC[NH+]1CC([C@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001276423723 939706710 /nfs/dbraw/zinc/70/67/10/939706710.db2.gz WMDHHBIOIGYJIG-AWEZNQCLSA-N 2 0 295.471 1.955 10 0 CDAERP Nc1nccc(N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)n1 ZINC000720443818 940365955 /nfs/dbraw/zinc/36/59/55/940365955.db2.gz OKJNJDUAWRQHDQ-ZJUUUORDSA-N 2 0 265.386 1.051 10 0 CDAERP COCCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000167268457 940725961 /nfs/dbraw/zinc/72/59/61/940725961.db2.gz XPNYOBTXBORNSI-HUUCEWRRSA-N 2 0 297.443 1.121 10 0 CDAERP CC[C@]1(C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC[NH2+]C1 ZINC001329645686 940778283 /nfs/dbraw/zinc/77/82/83/940778283.db2.gz CTRMCSQBYABOID-WFASDCNBSA-N 2 0 267.417 1.271 10 0 CDAERP C[C@H](CN[C@@H]1C[C@H]([NH3+])C12CCC2)C[NH+]1CCCCC1 ZINC000405295921 940979899 /nfs/dbraw/zinc/97/98/99/940979899.db2.gz GRETZQYUIQYNRM-QLFBSQMISA-N 2 0 265.445 1.968 10 0 CDAERP Cc1cc(C)n(CCC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)n1 ZINC000405344376 940983911 /nfs/dbraw/zinc/98/39/11/940983911.db2.gz KDSAHHIMZHDKEZ-UONOGXRCSA-N 2 0 262.401 1.750 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]CCOCC(F)(F)F)C12CCC2 ZINC000405376440 940985699 /nfs/dbraw/zinc/98/56/99/940985699.db2.gz BLPQLMNISPCRCM-BDAKNGLRSA-N 2 0 252.280 1.425 10 0 CDAERP C[C@H]1C[C@@H](C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)CCO1 ZINC001473703692 970837078 /nfs/dbraw/zinc/83/70/78/970837078.db2.gz WAJMRDUPXZWKTP-XQLPTFJDSA-N 2 0 252.402 1.685 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C1CC1 ZINC001362074614 970850219 /nfs/dbraw/zinc/85/02/19/970850219.db2.gz XBNVZEFCQSXWOC-KFWWJZLASA-N 2 0 281.444 1.563 10 0 CDAERP CCN(CC[NH2+]CCC1CC1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001568776069 1169470872 /nfs/dbraw/zinc/47/08/72/1169470872.db2.gz VRKSMOAYYYGZMN-CQSZACIVSA-N 2 0 281.444 1.566 10 0 CDAERP C[C@@H](CCC[NH2+]CCF)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001277217232 942185378 /nfs/dbraw/zinc/18/53/78/942185378.db2.gz IBQSLHGPPPMANT-STQMWFEESA-N 2 0 273.396 1.315 10 0 CDAERP CC(C)CCC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001277245532 942236492 /nfs/dbraw/zinc/23/64/92/942236492.db2.gz FWFVYXMMXZOFNT-AWEZNQCLSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001280452327 942444245 /nfs/dbraw/zinc/44/42/45/942444245.db2.gz YGUIAZTYTKLBNI-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP COCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CCC1 ZINC001280480202 942450816 /nfs/dbraw/zinc/45/08/16/942450816.db2.gz FUOOSWQHRQCOKP-CQSZACIVSA-N 2 0 297.443 1.134 10 0 CDAERP CC[NH2+]CCN(CC)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001568800751 1169481073 /nfs/dbraw/zinc/48/10/73/1169481073.db2.gz PWAQLSDABIOWHF-UHFFFAOYSA-N 2 0 277.412 1.820 10 0 CDAERP CCOCC[N@H+](C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001283325385 942877148 /nfs/dbraw/zinc/87/71/48/942877148.db2.gz LONCXVSXPRYNPG-UHFFFAOYSA-N 2 0 299.459 1.288 10 0 CDAERP CC[N@@H+]1CCC[C@H](CNC(=O)CC[NH+]2CC[C@@H](F)C2)C1 ZINC001362167139 970968541 /nfs/dbraw/zinc/96/85/41/970968541.db2.gz LJISLCRUXIEYDT-ZIAGYGMSSA-N 2 0 285.407 1.268 10 0 CDAERP CC[N@H+](C)CCC(=O)NCC1=CC[NH+]([C@H](C)COC)CC1 ZINC001284979517 943306370 /nfs/dbraw/zinc/30/63/70/943306370.db2.gz YRVKLOOMKITUHA-CQSZACIVSA-N 2 0 297.443 1.111 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1C[C@@H]([NH2+]CCCF)C1 ZINC001264394102 944125823 /nfs/dbraw/zinc/12/58/23/944125823.db2.gz TTXUIBPKTILIHK-ZNMIVQPWSA-N 2 0 299.434 1.705 10 0 CDAERP CC(C)[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001277938070 944128728 /nfs/dbraw/zinc/12/87/28/944128728.db2.gz NSQSMMAZTRPRDK-STQMWFEESA-N 2 0 255.406 1.173 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCF ZINC001264562739 944149288 /nfs/dbraw/zinc/14/92/88/944149288.db2.gz PBUXJAFWKIQUMV-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP CC[N@H+](CCCF)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001265146067 944246251 /nfs/dbraw/zinc/24/62/51/944246251.db2.gz LUBLYAYHSCNFHM-ZDUSSCGKSA-N 2 0 273.396 1.126 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001265303118 944334750 /nfs/dbraw/zinc/33/47/50/944334750.db2.gz BLIOAUSOCCNGQG-SWJNODNISA-N 2 0 293.455 1.875 10 0 CDAERP COCCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001265489927 944407885 /nfs/dbraw/zinc/40/78/85/944407885.db2.gz YETPXZFCEFBCCO-RBSFLKMASA-N 2 0 297.443 1.134 10 0 CDAERP COC[C@H](C)[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001265844988 944537682 /nfs/dbraw/zinc/53/76/82/944537682.db2.gz ABFHVRYMNOCDPQ-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]CCC[C@H](C)O ZINC001278007466 944562880 /nfs/dbraw/zinc/56/28/80/944562880.db2.gz VXDNHTMIYRWFAS-GJZGRUSLSA-N 2 0 299.459 1.068 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CCCNC(=O)CC[NH+](C)C ZINC001266231829 944771244 /nfs/dbraw/zinc/77/12/44/944771244.db2.gz QMHKUSMLSMJEPZ-ZDUSSCGKSA-N 2 0 255.406 1.319 10 0 CDAERP CC(C)=CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001279209587 944786369 /nfs/dbraw/zinc/78/63/69/944786369.db2.gz WRHZJWGTQZSMAP-YMAMQOFZSA-N 2 0 279.428 1.626 10 0 CDAERP CC(C)C[NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001568899005 1169540063 /nfs/dbraw/zinc/54/00/63/1169540063.db2.gz RRQGGISDNZGJRH-WAYWQWQTSA-N 2 0 281.444 1.779 10 0 CDAERP CCOCCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]1C ZINC001278324075 946152119 /nfs/dbraw/zinc/15/21/19/946152119.db2.gz BZAWXXSYLXUSQZ-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP CCN1CCN(C(=O)c2ccc(CN(C)C)o2)[C@@H](C)C1 ZINC001362436250 971269558 /nfs/dbraw/zinc/26/95/58/971269558.db2.gz XGALASRQHKTJPS-LBPRGKRZSA-N 2 0 279.384 1.507 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001479241933 971273272 /nfs/dbraw/zinc/27/32/72/971273272.db2.gz GTEYFLZJYFWNHE-OAHLLOKOSA-N 2 0 283.460 1.907 10 0 CDAERP CC(C)C[NH2+][C@H]1C[C@@H](CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001479347497 971304767 /nfs/dbraw/zinc/30/47/67/971304767.db2.gz LWTVDJQVSMEHCG-YHUYYLMFSA-N 2 0 295.471 2.000 10 0 CDAERP CC(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001479476645 971330171 /nfs/dbraw/zinc/33/01/71/971330171.db2.gz VWAWMLIDLBBTKM-HRCADAONSA-N 2 0 295.471 1.859 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1CC ZINC001479640366 971355389 /nfs/dbraw/zinc/35/53/89/971355389.db2.gz IQYIMOHOOCMYFJ-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP C[C@H](C[NH2+]CCC1CC1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001568998074 1169587121 /nfs/dbraw/zinc/58/71/21/1169587121.db2.gz TZWHKIATLFFTEP-HIFRSBDPSA-N 2 0 281.444 1.755 10 0 CDAERP CCC[NH2+]C[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C ZINC001278995091 948539004 /nfs/dbraw/zinc/53/90/04/948539004.db2.gz AFMXEWLDNNFILW-CYBMUJFWSA-N 2 0 271.449 1.859 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001480167851 971610978 /nfs/dbraw/zinc/61/09/78/971610978.db2.gz QAPALBNHYMKTMS-KBUPBQIOSA-N 2 0 281.444 1.611 10 0 CDAERP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001362800470 971629885 /nfs/dbraw/zinc/62/98/85/971629885.db2.gz ZXDBAGQOLPVYQE-ZNMIVQPWSA-N 2 0 281.444 1.659 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+](CCF)C1 ZINC001480272419 971656287 /nfs/dbraw/zinc/65/62/87/971656287.db2.gz SKIHOVAKNNNEBS-ZDUSSCGKSA-N 2 0 273.396 1.124 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001480301025 971663567 /nfs/dbraw/zinc/66/35/67/971663567.db2.gz SRIMJQGDGCRJDI-HZPDHXFCSA-N 2 0 295.471 1.812 10 0 CDAERP O=C(N1CC[C@H]([NH2+]CCCF)C1)C12CCC[NH+]1CCC2 ZINC001480616998 971810387 /nfs/dbraw/zinc/81/03/87/971810387.db2.gz IPYVYJZADMEGJM-ZDUSSCGKSA-N 2 0 283.391 1.165 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001363038594 971833991 /nfs/dbraw/zinc/83/39/91/971833991.db2.gz OGQYXQXEYFCABM-GJZGRUSLSA-N 2 0 295.471 1.907 10 0 CDAERP CC1(C)CC[N@H+](CCNC(=O)CC[NH+]2CC[C@@H](F)C2)C1 ZINC001363065910 971856987 /nfs/dbraw/zinc/85/69/87/971856987.db2.gz RKIJVMRLKLTXOV-CYBMUJFWSA-N 2 0 285.407 1.268 10 0 CDAERP CCCCC[N@H+](CC)CCNC(=O)C1CC[NH+](C)CC1 ZINC001493010295 971922789 /nfs/dbraw/zinc/92/27/89/971922789.db2.gz SGMNHQUJDGDCQS-UHFFFAOYSA-N 2 0 283.460 1.957 10 0 CDAERP CCC[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001324675629 953508448 /nfs/dbraw/zinc/50/84/48/953508448.db2.gz YISFVPGCJXAJAV-AWEZNQCLSA-N 2 0 253.390 1.073 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CCCF ZINC001569168974 1169700035 /nfs/dbraw/zinc/70/00/35/1169700035.db2.gz LJLDLBHXHSJBAP-UONOGXRCSA-N 2 0 287.423 1.562 10 0 CDAERP C[NH+](C)CC[C@H]1CCN(C(=O)CC[N@@H+]2CC[C@@H](F)C2)C1 ZINC001363956591 954076141 /nfs/dbraw/zinc/07/61/41/954076141.db2.gz CWXWSJZPLGAQOP-UONOGXRCSA-N 2 0 285.407 1.221 10 0 CDAERP CCCC[C@H](CC)C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC001364446350 954623694 /nfs/dbraw/zinc/62/36/94/954623694.db2.gz XFZJJYNMIDAJJR-HNNXBMFYSA-N 2 0 283.460 1.909 10 0 CDAERP CN(C[C@@H](O)C[N@@H+]1CCCC[C@@]12CCCOC2)C1CC1 ZINC001364556761 954797143 /nfs/dbraw/zinc/79/71/43/954797143.db2.gz HIIVWMIOQANDBQ-CVEARBPZSA-N 2 0 282.428 1.477 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](NC(=O)[C@H](C)CC[NH+](C)C)C1 ZINC001296126126 954814619 /nfs/dbraw/zinc/81/46/19/954814619.db2.gz FRVDOWJHFAHRFH-KGLIPLIRSA-N 2 0 269.433 1.563 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+][C@H](C)c1ccccc1 ZINC001491569556 955309866 /nfs/dbraw/zinc/30/98/66/955309866.db2.gz RNMLJZASZXECTP-ZIAGYGMSSA-N 2 0 277.412 1.794 10 0 CDAERP C[C@H]([NH2+]C/C=C\Cl)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001421522746 955389712 /nfs/dbraw/zinc/38/97/12/955389712.db2.gz KWHHGSYPFKUJNF-KNUBNCPHSA-N 2 0 287.835 1.517 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](C[NH2+]CCC3CC3)C2)C1 ZINC001491856536 955471902 /nfs/dbraw/zinc/47/19/02/955471902.db2.gz NOCMQFSRDUQLFM-CABCVRRESA-N 2 0 279.428 1.176 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+]CC1CC(F)(F)C1 ZINC001421737763 955514111 /nfs/dbraw/zinc/51/41/11/955514111.db2.gz GKIIVCQXQOIOSV-LLVKDONJSA-N 2 0 291.386 1.325 10 0 CDAERP Cc1ncc(C[NH2+]C[C@@H](C)CNC(=O)C[N@H+](C)C(C)C)o1 ZINC001421768108 955533405 /nfs/dbraw/zinc/53/34/05/955533405.db2.gz KUVWRVMQZXEJBA-GFCCVEGCSA-N 2 0 296.415 1.165 10 0 CDAERP C[C@@H](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CCCF ZINC001492110161 955631956 /nfs/dbraw/zinc/63/19/56/955631956.db2.gz ANIKCPNZAYBWDJ-STQMWFEESA-N 2 0 273.396 1.172 10 0 CDAERP C[C@@H](C[NH2+]C[C@@H]1CCCCO1)N(C)C(=O)C[NH+]1CCCC1 ZINC001421983526 955687255 /nfs/dbraw/zinc/68/72/55/955687255.db2.gz BUPWJYYAAHDFNW-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CC[N@H+](C)C[C@@H](O)CN1CC[NH+](C2CCCC2)[C@@H](C)C1 ZINC001365337896 955918346 /nfs/dbraw/zinc/91/83/46/955918346.db2.gz BUSKEGZBPGJZCD-GOEBONIOSA-N 2 0 283.460 1.248 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC001329500217 955952206 /nfs/dbraw/zinc/95/22/06/955952206.db2.gz ZOYWIHTWGINADR-UMVBOHGHSA-N 2 0 265.401 1.106 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)[NH2+]CCc1cccs1 ZINC001422373952 955970636 /nfs/dbraw/zinc/97/06/36/955970636.db2.gz DXTBRCQRIOOXLT-CHWSQXEVSA-N 2 0 297.468 1.725 10 0 CDAERP COCC[NH2+][C@@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001317277319 956017910 /nfs/dbraw/zinc/01/79/10/956017910.db2.gz RLBARZKROGIWTR-ZDUSSCGKSA-N 2 0 293.411 1.103 10 0 CDAERP CC(C)=CC[NH+](C)[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001329624151 956026172 /nfs/dbraw/zinc/02/61/72/956026172.db2.gz PBZFJGXENIUCAF-CQSZACIVSA-N 2 0 269.433 1.729 10 0 CDAERP Cc1ncc(C[NH2+]C[C@H](C)NC(=O)C2([NH+](C)C)CCC2)o1 ZINC001422658363 956237490 /nfs/dbraw/zinc/23/74/90/956237490.db2.gz BVKUPLKAJVYENW-NSHDSACASA-N 2 0 294.399 1.062 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@@]2(C1)C[NH+](CCC)CCO2 ZINC001422772814 956331886 /nfs/dbraw/zinc/33/18/86/956331886.db2.gz KJIKDPUHMHHURF-INIZCTEOSA-N 2 0 297.443 1.042 10 0 CDAERP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CCC2)CC1(C)C)[NH+](C)C ZINC001422783453 956350393 /nfs/dbraw/zinc/35/03/93/956350393.db2.gz AFDKSTWCCWZLQJ-LSDHHAIUSA-N 2 0 295.471 1.953 10 0 CDAERP Cc1ccncc1C[N@@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001422891604 956431804 /nfs/dbraw/zinc/43/18/04/956431804.db2.gz YFQPABMUZIATNB-AWEZNQCLSA-N 2 0 292.427 1.278 10 0 CDAERP COCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001365899285 956432814 /nfs/dbraw/zinc/43/28/14/956432814.db2.gz NZDKNRQHBCBAPX-GJZGRUSLSA-N 2 0 297.443 1.040 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CCC(=O)O2)[C@@H](C)C1 ZINC001330548020 956473015 /nfs/dbraw/zinc/47/30/15/956473015.db2.gz VABLXSKHGRYALB-AVGNSLFASA-N 2 0 254.374 1.354 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N1CC[N@H+](C)[C@@H](C(C)(C)C)C1 ZINC001363465133 972187370 /nfs/dbraw/zinc/18/73/70/972187370.db2.gz URQFWKDEASHCIZ-UONOGXRCSA-N 2 0 283.460 1.763 10 0 CDAERP CC[C@@H](C(=O)N(C)CCC[NH2+]Cc1nocc1C)[NH+](C)C ZINC001569241244 1169733789 /nfs/dbraw/zinc/73/37/89/1169733789.db2.gz TVMBHNQVKCINMG-AWEZNQCLSA-N 2 0 296.415 1.261 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001366103759 956565026 /nfs/dbraw/zinc/56/50/26/956565026.db2.gz GLWOPCUHSNWLDQ-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001366122116 956581487 /nfs/dbraw/zinc/58/14/87/956581487.db2.gz DOZIQNJREWHCGX-ZQDZILKHSA-N 2 0 283.460 1.856 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccsc2)C1)[NH+](C)C ZINC001366161025 956612100 /nfs/dbraw/zinc/61/21/00/956612100.db2.gz GZQIVAUTIHEAJM-HZSPNIEDSA-N 2 0 295.452 1.825 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]C/C=C/Cl)C1)[NH+](C)C ZINC001366166931 956615986 /nfs/dbraw/zinc/61/59/86/956615986.db2.gz FPZGLJYJVZODHM-ULUCOWRSSA-N 2 0 273.808 1.316 10 0 CDAERP C[C@H](F)CC[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001366213337 956642538 /nfs/dbraw/zinc/64/25/38/956642538.db2.gz XFLNJRLEOOCSQN-GJZGRUSLSA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001330977404 956738338 /nfs/dbraw/zinc/73/83/38/956738338.db2.gz RETVGXQMGPXZAY-GJZGRUSLSA-N 2 0 283.460 1.859 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCCNC(=O)[C@@H]1CN(CC)CCO1 ZINC001316866352 956792498 /nfs/dbraw/zinc/79/24/98/956792498.db2.gz LZFRSMCCGOBNOX-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+]Cc1cccc(F)c1 ZINC001366488423 956867298 /nfs/dbraw/zinc/86/72/98/956867298.db2.gz NSCWBYOPKSRZPJ-CYBMUJFWSA-N 2 0 295.402 1.762 10 0 CDAERP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001423580329 956872258 /nfs/dbraw/zinc/87/22/58/956872258.db2.gz HJHWTBJKYVIIRG-QGZVFWFLSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](C(=O)NC[C@H]([NH2+]CC=C(C)C)C1CC1)[NH+](C)C ZINC001317030511 956933957 /nfs/dbraw/zinc/93/39/57/956933957.db2.gz OTDKWYCSVOSQJV-LSDHHAIUSA-N 2 0 281.444 1.777 10 0 CDAERP CC(C)[NH2+][C@H](C)[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001329203402 956956667 /nfs/dbraw/zinc/95/66/67/956956667.db2.gz SNVBIBHAESOIEQ-ZIAGYGMSSA-N 2 0 269.433 1.754 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CCC1)C2 ZINC001423929110 957043984 /nfs/dbraw/zinc/04/39/84/957043984.db2.gz YVFUBALWTMBIGJ-JYJNAYRXSA-N 2 0 293.455 1.707 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)NC[C@H]1CC[N@H+](CC)C1 ZINC001366693178 957117857 /nfs/dbraw/zinc/11/78/57/957117857.db2.gz YGLVHCVRJCVZRE-OLZOCXBDSA-N 2 0 273.396 1.124 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC(CC)([NH2+]CCF)CC1 ZINC001424382371 957222031 /nfs/dbraw/zinc/22/20/31/957222031.db2.gz PKXBBQQDYSZGAE-UHFFFAOYSA-N 2 0 287.423 1.659 10 0 CDAERP C[NH+](C)CCCC(=O)N1CCC[C@@]2(CC[N@H+](CCF)C2)C1 ZINC001424386983 957223416 /nfs/dbraw/zinc/22/34/16/957223416.db2.gz VGJJXNHDRCYYSA-INIZCTEOSA-N 2 0 299.434 1.612 10 0 CDAERP CC(C)CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001317062445 957238060 /nfs/dbraw/zinc/23/80/60/957238060.db2.gz KNGWQWZADLNXKC-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001317067080 957240493 /nfs/dbraw/zinc/24/04/93/957240493.db2.gz LXRXKHRULHUFPU-AWEZNQCLSA-N 2 0 269.433 1.565 10 0 CDAERP C[N@H+](CCF)C[C@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001366883625 957244730 /nfs/dbraw/zinc/24/47/30/957244730.db2.gz UTLXNMYBSZZGAF-CABCVRRESA-N 2 0 299.434 1.611 10 0 CDAERP CC[C@H](F)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001424480060 957248241 /nfs/dbraw/zinc/24/82/41/957248241.db2.gz SCAQETKHTOQYEP-KBPBESRZSA-N 2 0 299.434 1.799 10 0 CDAERP CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC[C@@H](C)F)C1)[NH+](C)C ZINC001366895659 957253171 /nfs/dbraw/zinc/25/31/71/957253171.db2.gz XKGKCARLJMNLSL-MCIONIFRSA-N 2 0 287.423 1.655 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001317084400 957258897 /nfs/dbraw/zinc/25/88/97/957258897.db2.gz KRKKMKFLZOVFFV-HDJSIYSDSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]C/C=C/Cl ZINC001424582891 957280765 /nfs/dbraw/zinc/28/07/65/957280765.db2.gz PKUAITUOQMNSMH-DGYDABPTSA-N 2 0 287.835 1.708 10 0 CDAERP CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CCC2CC2)C1)[NH+](C)C ZINC001317160678 957314369 /nfs/dbraw/zinc/31/43/69/957314369.db2.gz BJIVAPCSXCWPNT-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H]1C[N@H+](C)CCCF ZINC001424717508 957321329 /nfs/dbraw/zinc/32/13/29/957321329.db2.gz QIKKNTYQMWIGJF-ZDUSSCGKSA-N 2 0 273.396 1.221 10 0 CDAERP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)CC[NH+](C)C)C2)cc1 ZINC001367016957 957341145 /nfs/dbraw/zinc/34/11/45/957341145.db2.gz ZFURONHEUDPFLX-INIZCTEOSA-N 2 0 289.423 1.637 10 0 CDAERP C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+]CCCCCF ZINC001317260581 957385059 /nfs/dbraw/zinc/38/50/59/957385059.db2.gz SHPXOCLJJLHREW-AWEZNQCLSA-N 2 0 299.434 1.849 10 0 CDAERP CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001317324937 957424359 /nfs/dbraw/zinc/42/43/59/957424359.db2.gz BPGUTOHLAQDRAD-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001317383927 957444606 /nfs/dbraw/zinc/44/46/06/957444606.db2.gz IWDHHZNCJKSVPI-AWEZNQCLSA-N 2 0 269.433 1.659 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001317396505 957451590 /nfs/dbraw/zinc/45/15/90/957451590.db2.gz FTXWXFBZWHVZQQ-UONOGXRCSA-N 2 0 269.433 1.611 10 0 CDAERP [NH3+]CC1CCC([NH2+]C[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC001332473986 957578483 /nfs/dbraw/zinc/57/84/83/957578483.db2.gz VLZGXOMHQDJWRM-MOENNCHZSA-N 3 0 261.360 1.338 10 0 CDAERP CN(CC[NH2+]CCCF)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001317596128 957589061 /nfs/dbraw/zinc/58/90/61/957589061.db2.gz HHOAHFPRRDQZIA-ZDUSSCGKSA-N 2 0 273.396 1.268 10 0 CDAERP CC(C)CC[NH2+]CCN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001317662500 957628912 /nfs/dbraw/zinc/62/89/12/957628912.db2.gz BHMZGCLEYZYHEC-HNNXBMFYSA-N 2 0 299.459 1.049 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+]Cc1ccsc1 ZINC001317666508 957631441 /nfs/dbraw/zinc/63/14/41/957631441.db2.gz XGTYVINZTSGSRW-UHFFFAOYSA-N 2 0 283.441 1.636 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]Cc2cccnc2)CN1C(=O)CC[NH+](C)C ZINC001425886273 957634400 /nfs/dbraw/zinc/63/44/00/957634400.db2.gz CGCJXAVRUXAVPE-HIFRSBDPSA-N 2 0 290.411 1.112 10 0 CDAERP CC(C)OCC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1C ZINC001425932122 957647007 /nfs/dbraw/zinc/64/70/07/957647007.db2.gz OLLXEWBIWMNMBK-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)[NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)C(C)(C)C ZINC001426148349 957709296 /nfs/dbraw/zinc/70/92/96/957709296.db2.gz OWPKYHRIOZPUIC-ZDUSSCGKSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH2+]Cc1ccsc1 ZINC001367234209 957864938 /nfs/dbraw/zinc/86/49/38/957864938.db2.gz NKTDHCNMUHEQHA-OCCSQVGLSA-N 2 0 295.452 1.684 10 0 CDAERP CC[C@@H](C(=O)N[C@@H](C[NH2+]CCF)C(C)(C)C)[NH+](C)C ZINC001332881802 957912897 /nfs/dbraw/zinc/91/28/97/957912897.db2.gz NCANJVAUNOXIQR-RYUDHWBXSA-N 2 0 275.412 1.417 10 0 CDAERP COCC[NH2+]C[C@@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)C ZINC001332899434 957925362 /nfs/dbraw/zinc/92/53/62/957925362.db2.gz PTCKRFGBZLKWKK-CYBMUJFWSA-N 2 0 287.448 1.094 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001318299642 958019901 /nfs/dbraw/zinc/01/99/01/958019901.db2.gz JCCSBBSARUHBCK-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC[C@@H](C)F ZINC001367493112 958056725 /nfs/dbraw/zinc/05/67/25/958056725.db2.gz PAAPFGUZGYJLDQ-ZIAGYGMSSA-N 2 0 299.434 1.561 10 0 CDAERP CC(C)[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC[C@H](C)F ZINC001367493105 958057267 /nfs/dbraw/zinc/05/72/67/958057267.db2.gz PAAPFGUZGYJLDQ-UONOGXRCSA-N 2 0 299.434 1.561 10 0 CDAERP COC[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001494861958 972325239 /nfs/dbraw/zinc/32/52/39/972325239.db2.gz GFXVXEDVUUZFEI-GJZGRUSLSA-N 2 0 299.459 1.286 10 0 CDAERP CC/C=C/CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001318603097 958193163 /nfs/dbraw/zinc/19/31/63/958193163.db2.gz NUKYHZGBNCJEKW-WLBISTCBSA-N 2 0 281.444 1.779 10 0 CDAERP CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001318822105 958271306 /nfs/dbraw/zinc/27/13/06/958271306.db2.gz RNVKSOLKIYXMOK-ZIAGYGMSSA-N 2 0 267.417 1.319 10 0 CDAERP CC[N@H+]1CC=C(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001333456853 958350877 /nfs/dbraw/zinc/35/08/77/958350877.db2.gz DRVIGPZTBLXXFD-KBPBESRZSA-N 2 0 279.428 1.627 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]Cc1ccns1)C1CC1 ZINC001367914302 958474012 /nfs/dbraw/zinc/47/40/12/958474012.db2.gz VPAXUWMYXWXEEL-ZDUSSCGKSA-N 2 0 296.440 1.079 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH2+]CCCF)CCCC2)C1 ZINC001319384961 958525563 /nfs/dbraw/zinc/52/55/63/958525563.db2.gz GWYDOSVOZXRPJU-AWEZNQCLSA-N 2 0 299.434 1.706 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001368428971 958836333 /nfs/dbraw/zinc/83/63/33/958836333.db2.gz GCCUIYOAGUYVNI-GJZGRUSLSA-N 2 0 281.444 1.517 10 0 CDAERP CN(C(=O)CC[NH+](C)C)C1CCC([NH2+]CC2CC2)CC1 ZINC001368903419 959239690 /nfs/dbraw/zinc/23/96/90/959239690.db2.gz QWAHGWRLHTZPRM-UHFFFAOYSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CCc1cccs1 ZINC001368976760 959350768 /nfs/dbraw/zinc/35/07/68/959350768.db2.gz XQFJNPBPUFRFPM-ZDUSSCGKSA-N 2 0 297.468 1.679 10 0 CDAERP C[C@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC1CCC1 ZINC001369260653 959586533 /nfs/dbraw/zinc/58/65/33/959586533.db2.gz PGBANNGROZCMKL-UKRRQHHQSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]CC1CC(C)C1 ZINC001369350017 959637964 /nfs/dbraw/zinc/63/79/64/959637964.db2.gz AOJPBZYUPMOVLT-SHARSMKWSA-N 2 0 281.444 1.565 10 0 CDAERP O=C(NC/C=C/C[NH2+]CC1CC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001321285291 959697752 /nfs/dbraw/zinc/69/77/52/959697752.db2.gz KNAGOUMUAUJEKG-RWAOMAIQSA-N 2 0 291.439 1.675 10 0 CDAERP CC(C)CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001369572116 959765965 /nfs/dbraw/zinc/76/59/65/959765965.db2.gz KCPSLKSMYOJDKK-YMAMQOFZSA-N 2 0 281.444 1.706 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1CC[N@H+](CCC(C)(C)C)C1)[NH+](C)C ZINC001369978375 959941112 /nfs/dbraw/zinc/94/11/12/959941112.db2.gz FAOFSQIRWNRJGP-ZIAGYGMSSA-N 2 0 283.460 1.953 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]([NH2+]CC1CCCC1)C1CC1 ZINC001370212562 960024010 /nfs/dbraw/zinc/02/40/10/960024010.db2.gz IYTZPDGCRUSUAU-OAHLLOKOSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+][C@@H](C)c1cccc(F)c1 ZINC001371356638 972485134 /nfs/dbraw/zinc/48/51/34/972485134.db2.gz XTEBHXLVULZBSK-STQMWFEESA-N 2 0 295.402 1.933 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]C/C=C\Cl)C2)C1 ZINC001370685094 960183951 /nfs/dbraw/zinc/18/39/51/960183951.db2.gz YVNIAGFXXHLVQF-MXLLUITQSA-N 2 0 285.819 1.318 10 0 CDAERP CN(CC[NH+]1CCCC1)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001433658105 960486866 /nfs/dbraw/zinc/48/68/66/960486866.db2.gz HAYCESZPEAIFDO-CABCVRRESA-N 2 0 281.444 1.661 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001433703472 960537196 /nfs/dbraw/zinc/53/71/96/960537196.db2.gz IQPPJKBUVJWPQP-GJZGRUSLSA-N 2 0 281.444 1.661 10 0 CDAERP CC[N@@H+]1CC[C@@H]1C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC001433813936 960648187 /nfs/dbraw/zinc/64/81/87/960648187.db2.gz HWZWZHCFBKCHIU-OAHLLOKOSA-N 2 0 281.444 1.661 10 0 CDAERP C[C@H](O)CC[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001560238354 960899320 /nfs/dbraw/zinc/89/93/20/960899320.db2.gz MEHCLLJIEOKPNR-SOUVJXGZSA-N 2 0 252.402 1.565 10 0 CDAERP CCC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C[C@@H](F)CC ZINC001418706446 960930236 /nfs/dbraw/zinc/93/02/36/960930236.db2.gz AINHBRGMITUKKF-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP C[NH+](C)CC1(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CC3)C2)CC1 ZINC001418719145 960943203 /nfs/dbraw/zinc/94/32/03/960943203.db2.gz QBDHSVAMGRLTDX-LSDHHAIUSA-N 2 0 293.455 1.613 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)[C@H](C)CC[NH+](C)C ZINC001434225967 961100906 /nfs/dbraw/zinc/10/09/06/961100906.db2.gz WSWAHSGYNUMRCO-CYBMUJFWSA-N 2 0 271.449 1.811 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCCCCF ZINC001324207080 961233973 /nfs/dbraw/zinc/23/39/73/961233973.db2.gz NUIWWZYQXHSVPO-LSDHHAIUSA-N 2 0 299.434 1.801 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001324260364 961268997 /nfs/dbraw/zinc/26/89/97/961268997.db2.gz HYPVWJVLEOIYBI-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP CC[C@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)CC ZINC001419055339 961311298 /nfs/dbraw/zinc/31/12/98/961311298.db2.gz PJERVKOCUWAJGW-KKUMJFAQSA-N 2 0 281.444 1.659 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2CCC23CC[NH+](C)CC3)C1 ZINC001434416363 961336444 /nfs/dbraw/zinc/33/64/44/961336444.db2.gz VMQYJNXNEKWRKB-CABCVRRESA-N 2 0 293.455 1.804 10 0 CDAERP Cc1cncc(C[N@H+]2CC[C@H](NC(=O)CC[NH+](C)C)C2)c1 ZINC001419170400 961466420 /nfs/dbraw/zinc/46/64/20/961466420.db2.gz DJGRUJMCFVMGCK-HNNXBMFYSA-N 2 0 290.411 1.032 10 0 CDAERP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CC=C(Cl)Cl ZINC001419220149 961516396 /nfs/dbraw/zinc/51/63/96/961516396.db2.gz LMMPYPFMIPTAOS-JTQLQIEISA-N 2 0 296.242 1.742 10 0 CDAERP C[C@@H](C[NH2+]CC1CCCCC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001419743850 962064448 /nfs/dbraw/zinc/06/44/48/962064448.db2.gz IZRFRIRLUIHAKO-GOEBONIOSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@@H]2CC[NH+]2CCC2CC2)C1 ZINC001436322964 962180462 /nfs/dbraw/zinc/18/04/62/962180462.db2.gz NRYJXITWFFFTDH-ZBFHGGJFSA-N 2 0 293.455 1.661 10 0 CDAERP Nc1ccc2c(c1)C[N@H+](C1CCC(C[NH3+])CC1)CCO2 ZINC001339226932 962255805 /nfs/dbraw/zinc/25/58/05/962255805.db2.gz XYPDTOYFBPTVML-UHFFFAOYSA-N 2 0 275.396 1.981 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]CCC(C)(C)C)C2)C1 ZINC001419973001 962317879 /nfs/dbraw/zinc/31/78/79/962317879.db2.gz UXQQMFVMCVKAQC-KGLIPLIRSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+]CC1CC(F)(F)C1 ZINC001420124961 962487506 /nfs/dbraw/zinc/48/75/06/962487506.db2.gz LWJRFOQKDVOFAP-LLVKDONJSA-N 2 0 291.386 1.468 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001436915433 962497755 /nfs/dbraw/zinc/49/77/55/962497755.db2.gz VWIKWKWDLVMNOL-XUXIUFHCSA-N 2 0 285.407 1.456 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001436954221 962520475 /nfs/dbraw/zinc/52/04/75/962520475.db2.gz UVVNSPVMSTVLCI-ITBORSCJSA-N 2 0 299.846 1.849 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nccs2)C1 ZINC001436967715 962534072 /nfs/dbraw/zinc/53/40/72/962534072.db2.gz XRWNRLDXBKRWOD-TXEJJXNPSA-N 2 0 296.440 1.222 10 0 CDAERP C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CC1CCC1 ZINC001437125183 962656417 /nfs/dbraw/zinc/65/64/17/962656417.db2.gz BEIDRJPVUPAWCH-DOMZBBRYSA-N 2 0 279.428 1.223 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001420374652 962809693 /nfs/dbraw/zinc/80/96/93/962809693.db2.gz BUIVPMFRXQWGFP-KGLIPLIRSA-N 2 0 299.459 1.236 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001420471992 962949383 /nfs/dbraw/zinc/94/93/83/962949383.db2.gz RFSKVFXKPNARGN-AWEZNQCLSA-N 2 0 281.444 1.850 10 0 CDAERP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CC1CC1 ZINC001420573502 963083130 /nfs/dbraw/zinc/08/31/30/963083130.db2.gz VWKQUKVFBNDXRZ-ZFWWWQNUSA-N 2 0 281.444 1.706 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CC[NH+](CCCF)C1 ZINC001437709773 963137120 /nfs/dbraw/zinc/13/71/20/963137120.db2.gz ASBWOBLLDCRRLW-HUUCEWRRSA-N 2 0 299.434 1.659 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NCC[C@@H]2CC[NH+](CCF)C2)C1 ZINC001420882380 963328046 /nfs/dbraw/zinc/32/80/46/963328046.db2.gz ZJZKYPNRMVQNCI-ZIAGYGMSSA-N 2 0 285.407 1.126 10 0 CDAERP CC(C)C[C@@H](C)C[N@@H+]1CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001420899011 963340987 /nfs/dbraw/zinc/34/09/87/963340987.db2.gz FNKWEHVBSQSXIP-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](C[NH+](C)CCF)C2)C1 ZINC001420947351 963378670 /nfs/dbraw/zinc/37/86/70/963378670.db2.gz POFCPOALUPYYFO-KGLIPLIRSA-N 2 0 285.407 1.078 10 0 CDAERP C[C@@H](C[NH2+]CC1CCC1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001438714226 963530813 /nfs/dbraw/zinc/53/08/13/963530813.db2.gz YQFNFNDTHNPHIV-DZGCQCFKSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)[N@H+](C)CCC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001438778499 963547499 /nfs/dbraw/zinc/54/74/99/963547499.db2.gz MXTXVOFKQVUILH-UHFFFAOYSA-N 2 0 283.460 1.907 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCC2CC2)[C@H](C)C1 ZINC001438782460 963548393 /nfs/dbraw/zinc/54/83/93/963548393.db2.gz ZVKFBVDDMSXUJF-GDBMZVCRSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH+](C)CC1CCCC1 ZINC001439401765 963752205 /nfs/dbraw/zinc/75/22/05/963752205.db2.gz MDSJTXMRYRWNAO-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@H](C)C[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001439667712 963835153 /nfs/dbraw/zinc/83/51/53/963835153.db2.gz QZZOVXYDJLCDFG-ZDUSSCGKSA-N 2 0 279.428 1.367 10 0 CDAERP CC(C)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001439911274 963891687 /nfs/dbraw/zinc/89/16/87/963891687.db2.gz GHFGBPQVDVPGQK-GOEBONIOSA-N 2 0 281.444 1.422 10 0 CDAERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@H](C)[NH2+]CCF ZINC001440827175 964200003 /nfs/dbraw/zinc/20/00/03/964200003.db2.gz PLVGCXGLUIXKBA-NWDGAFQWSA-N 2 0 273.396 1.313 10 0 CDAERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@@H](C)[NH2+]CCF ZINC001440827184 964200115 /nfs/dbraw/zinc/20/01/15/964200115.db2.gz PLVGCXGLUIXKBA-VXGBXAGGSA-N 2 0 273.396 1.313 10 0 CDAERP CO[C@@H](C)C[NH2+]CC1(NC(=O)CC[NH+](C)C)CCCCC1 ZINC001441102644 964363559 /nfs/dbraw/zinc/36/35/59/964363559.db2.gz LNUFRVFKLYUANG-AWEZNQCLSA-N 2 0 299.459 1.382 10 0 CDAERP CCC[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001441239992 964431269 /nfs/dbraw/zinc/43/12/69/964431269.db2.gz FDPCXAVXTIVXNP-CYBMUJFWSA-N 2 0 281.444 1.707 10 0 CDAERP CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001443216750 965404819 /nfs/dbraw/zinc/40/48/19/965404819.db2.gz GQEUURXJQRBXRS-HUUCEWRRSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)c1cccc(CC[NH+](C)C)c1 ZINC001443457001 965476920 /nfs/dbraw/zinc/47/69/20/965476920.db2.gz GCJIQVRSEFPMIB-CQSZACIVSA-N 2 0 291.439 1.861 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC1C[NH+](CCC2CC2)C1 ZINC001443478363 965487937 /nfs/dbraw/zinc/48/79/37/965487937.db2.gz FHTNBYXKNXLDBJ-HNNXBMFYSA-N 2 0 279.428 1.461 10 0 CDAERP CC(C)CC[NH+]1CC(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001443481828 965488719 /nfs/dbraw/zinc/48/87/19/965488719.db2.gz MNADMFHTZOJCPN-HNNXBMFYSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)C[C@H](C[NH2+]CC1CCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001444774274 965948568 /nfs/dbraw/zinc/94/85/68/965948568.db2.gz JMMFFEJPLRAUAA-JKSUJKDBSA-N 2 0 295.471 1.859 10 0 CDAERP C[C@H](C[NH2+]Cc1cncs1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001445474897 966204264 /nfs/dbraw/zinc/20/42/64/966204264.db2.gz LFDQDXVSWURABD-NEPJUHHUSA-N 2 0 296.440 1.079 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+]Cc1cncc(F)c1 ZINC001445475542 966207743 /nfs/dbraw/zinc/20/77/43/966207743.db2.gz URLHUVOHAFTGSS-GFCCVEGCSA-N 2 0 296.390 1.157 10 0 CDAERP C[C@@H](C[N@H+](C)CCC1CC1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001445733904 966310100 /nfs/dbraw/zinc/31/01/00/966310100.db2.gz AVVZNWCTDKEHFP-BBRMVZONSA-N 2 0 293.455 1.565 10 0 CDAERP CC(C)CC[N@H+]1C[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C1 ZINC001446982125 966672526 /nfs/dbraw/zinc/67/25/26/966672526.db2.gz OROOKTZJOHXFEQ-IYBDPMFKSA-N 2 0 295.471 1.765 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](C)OC)CC1(C)C ZINC001448398082 967097003 /nfs/dbraw/zinc/09/70/03/967097003.db2.gz AHWPTCGNFFGGPF-ZIAGYGMSSA-N 2 0 299.459 1.190 10 0 CDAERP CO[C@H](C)C[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001449017409 967335755 /nfs/dbraw/zinc/33/57/55/967335755.db2.gz UFLIBHNWHGLLRQ-YCPHGPKFSA-N 2 0 297.443 1.086 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cccc(F)c1F ZINC001480530820 968116211 /nfs/dbraw/zinc/11/62/11/968116211.db2.gz OMUDPTCCOFQRSU-NSHDSACASA-N 2 0 299.365 1.511 10 0 CDAERP CCN(C(=O)[C@H](C)CC[NH+](C)C)[C@H]1CC[N@H+](C)C1 ZINC001470060297 970286167 /nfs/dbraw/zinc/28/61/67/970286167.db2.gz PAVBYUSUJPNYAQ-OLZOCXBDSA-N 2 0 255.406 1.127 10 0 CDAERP C[NH+](C)C1(CNC(=O)CC[N@@H+]2CC[C@@H](F)C2)CCCCC1 ZINC001361589243 970313815 /nfs/dbraw/zinc/31/38/15/970313815.db2.gz PKISNIBPFRUXRT-CQSZACIVSA-N 2 0 299.434 1.801 10 0 CDAERP CCC(CC)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001371544422 972546285 /nfs/dbraw/zinc/54/62/85/972546285.db2.gz PBBYHQNLUJNTKE-GJZGRUSLSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C[NH2+]C/C=C\Cl ZINC001495690448 972597721 /nfs/dbraw/zinc/59/77/21/972597721.db2.gz DDITWCSIKRKJMK-XHSUHYBKSA-N 2 0 287.835 1.565 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001495718303 972607277 /nfs/dbraw/zinc/60/72/77/972607277.db2.gz HIIWTGNOCFMFNT-CQSZACIVSA-N 2 0 283.460 1.859 10 0 CDAERP CC[NH2+]C[C@H](C)N(C)C(=O)[C@H](CC)[NH+](CC)CC ZINC001496156803 972823197 /nfs/dbraw/zinc/82/31/97/972823197.db2.gz IIBJQLOSSQULBP-STQMWFEESA-N 2 0 257.422 1.563 10 0 CDAERP C[C@@H](CC[NH2+]C/C=C\Cl)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001497247304 973259918 /nfs/dbraw/zinc/25/99/18/973259918.db2.gz JEAAQYLMKFGYSY-AAMHTLBISA-N 2 0 287.835 1.708 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC001417683095 973279176 /nfs/dbraw/zinc/27/91/76/973279176.db2.gz HNGWDEJZCCJUSR-AWEZNQCLSA-N 2 0 281.444 1.661 10 0 CDAERP C[C@H](CC[NH2+]Cc1nccs1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001497324315 973287628 /nfs/dbraw/zinc/28/76/28/973287628.db2.gz UMGFZQAITZINPJ-NEPJUHHUSA-N 2 0 296.440 1.079 10 0 CDAERP O=C(C[NH+]1CCCC1)NCC[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001373242055 973321144 /nfs/dbraw/zinc/32/11/44/973321144.db2.gz DFCLHXSEQWLFJZ-MRXNPFEDSA-N 2 0 293.455 1.711 10 0 CDAERP CC[C@H](C(=O)NCC1C[NH+](Cc2ccsc2)C1)[NH+](C)C ZINC001373516778 973477056 /nfs/dbraw/zinc/47/70/56/973477056.db2.gz OPMGNXAEOCEJFF-CQSZACIVSA-N 2 0 295.452 1.636 10 0 CDAERP CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](F)C[NH+](CC)CC ZINC001373567076 973494321 /nfs/dbraw/zinc/49/43/21/973494321.db2.gz DERWVOMMWAOFHY-MELADBBJSA-N 2 0 285.407 1.361 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCC2)C1)[NH+](C)C ZINC001418062085 973561616 /nfs/dbraw/zinc/56/16/16/973561616.db2.gz FPGXMZISRFNRHE-RBSFLKMASA-N 2 0 281.444 1.754 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CCC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001418141914 973607944 /nfs/dbraw/zinc/60/79/44/973607944.db2.gz ZTPOHIOXYBLLJI-HUUCEWRRSA-N 2 0 299.434 1.659 10 0 CDAERP C[C@](C[NH2+]CC1CCC1)(NC(=O)Cn1ccnc1)C1CC1 ZINC001373899746 973683509 /nfs/dbraw/zinc/68/35/09/973683509.db2.gz OBPPXWUZCXVQLE-MRXNPFEDSA-N 2 0 290.411 1.558 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH2+]CCF)C1 ZINC001418262727 973707320 /nfs/dbraw/zinc/70/73/20/973707320.db2.gz BQKPBVLRCPBEFQ-CHWSQXEVSA-N 2 0 273.396 1.172 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]C/C=C/c1ccccc1 ZINC001418269361 973712323 /nfs/dbraw/zinc/71/23/23/973712323.db2.gz QJIYBVSMCABMBH-JOZWUWCOSA-N 2 0 289.423 1.746 10 0 CDAERP CO[C@H](C)C[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001418330940 973752776 /nfs/dbraw/zinc/75/27/76/973752776.db2.gz YEVZICFCQGQCHM-KGLIPLIRSA-N 2 0 297.443 1.086 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001418330921 973752974 /nfs/dbraw/zinc/75/29/74/973752974.db2.gz YGHFYHICHCTCRZ-KBPBESRZSA-N 2 0 297.418 1.553 10 0 CDAERP C[C@@H](C[NH2+]CC1CCC1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001374221051 973842538 /nfs/dbraw/zinc/84/25/38/973842538.db2.gz DLJPKFNCWRCHAD-GZBFAFLISA-N 2 0 281.444 1.563 10 0 CDAERP CCC(CC)C[N@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001418462629 973868229 /nfs/dbraw/zinc/86/82/29/973868229.db2.gz UAVKDCPCSUNZED-MRXNPFEDSA-N 2 0 295.471 1.812 10 0 CDAERP Cc1csc(C[NH2+]C[C@H](C)N(C)C(=O)CC[NH+](C)C)n1 ZINC001374277813 973873173 /nfs/dbraw/zinc/87/31/73/973873173.db2.gz QXEXNVBUNDLKNC-LBPRGKRZSA-N 2 0 298.456 1.340 10 0 CDAERP Cc1ncc(CN(C)C[C@@H](C)NC(=O)C[NH+]2CCCC2)o1 ZINC001498455446 973924251 /nfs/dbraw/zinc/92/42/51/973924251.db2.gz ICBKSWDPYYTCRI-GFCCVEGCSA-N 2 0 294.399 1.015 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H](C)C[N@H+](C)CC1CC1)[NH+]1CCCC1 ZINC001498457726 973927821 /nfs/dbraw/zinc/92/78/21/973927821.db2.gz SUIIJRVVGVHXEK-GDBMZVCRSA-N 2 0 295.471 1.953 10 0 CDAERP Cc1cncn1CC(=O)N(C)CCN(C)C/C=C\Cl ZINC001374517155 973990413 /nfs/dbraw/zinc/99/04/13/973990413.db2.gz KVBSBIUEAWTUNF-PLNGDYQASA-N 2 0 284.791 1.334 10 0 CDAERP CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001374804340 974130168 /nfs/dbraw/zinc/13/01/68/974130168.db2.gz XGUOCXHCHSXRCQ-UKRRQHHQSA-N 2 0 281.444 1.898 10 0 CDAERP COCCC[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001499127520 974192617 /nfs/dbraw/zinc/19/26/17/974192617.db2.gz NGGPGPSPDLXMJV-OAHLLOKOSA-N 2 0 297.443 1.089 10 0 CDAERP CC(C)C[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001499261198 974223775 /nfs/dbraw/zinc/22/37/75/974223775.db2.gz ILYOZLDHLVHJPZ-CABCVRRESA-N 2 0 293.455 1.898 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001499351446 974241970 /nfs/dbraw/zinc/24/19/70/974241970.db2.gz AVTRRLKXHHATGE-QWHCGFSZSA-N 2 0 285.407 1.315 10 0 CDAERP CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]CC1CCC1 ZINC001375279961 974311827 /nfs/dbraw/zinc/31/18/27/974311827.db2.gz DNMHIYUAOSGYFJ-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP CCC(CC)C[N@@H+]1CC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001375342227 974347178 /nfs/dbraw/zinc/34/71/78/974347178.db2.gz BHNKZGRLVYWHKX-GDBMZVCRSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@](C)(C[NH2+]CCCF)C1 ZINC001500396439 974430991 /nfs/dbraw/zinc/43/09/91/974430991.db2.gz CPDGNSKSKALFLF-OAHLLOKOSA-N 2 0 287.423 1.516 10 0 CDAERP C[NH+](C)CCC(=O)N1CCCCC[C@H]([NH2+]CC2CC2)C1 ZINC001375653714 974444465 /nfs/dbraw/zinc/44/44/65/974444465.db2.gz VQAVPTKOLCVUDY-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+](CCC(C)(C)C)C1 ZINC001375843274 974493035 /nfs/dbraw/zinc/49/30/35/974493035.db2.gz NJFUWJCPCIIVPT-MRXNPFEDSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCF)C1CC1 ZINC001376224770 974608977 /nfs/dbraw/zinc/60/89/77/974608977.db2.gz SZODESDMAVJHMI-KGLIPLIRSA-N 2 0 285.407 1.313 10 0 CDAERP C[C@@H](F)CC[NH2+]C1(CNC(=O)CC[NH+](C)C)CCC1 ZINC001501996133 974670824 /nfs/dbraw/zinc/67/08/24/974670824.db2.gz SWELZYYNPFVURU-GFCCVEGCSA-N 2 0 273.396 1.315 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCF ZINC001376520303 974680347 /nfs/dbraw/zinc/68/03/47/974680347.db2.gz VMWNGCDLCZAVAC-ZIAGYGMSSA-N 2 0 285.407 1.363 10 0 CDAERP CN(CCC[N@H+](C)C/C=C\Cl)C(=O)C[NH+]1CCCC1 ZINC001502396936 974731779 /nfs/dbraw/zinc/73/17/79/974731779.db2.gz KGOZPCOLSMMJAD-ALCCZGGFSA-N 2 0 287.835 1.615 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001376706955 974734707 /nfs/dbraw/zinc/73/47/07/974734707.db2.gz MVPLTXYXMCYAOB-LSDHHAIUSA-N 2 0 281.444 1.565 10 0 CDAERP Cc1ccncc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001505686953 974964029 /nfs/dbraw/zinc/96/40/29/974964029.db2.gz WZPMZPARAUPUST-UONOGXRCSA-N 2 0 292.427 1.325 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CCC(F)(F)F ZINC001505993085 975064512 /nfs/dbraw/zinc/06/45/12/975064512.db2.gz NXDOKHJAKGDYBD-JTQLQIEISA-N 2 0 283.338 1.327 10 0 CDAERP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)CC[C@H]1CCCO1 ZINC001506056859 975103249 /nfs/dbraw/zinc/10/32/49/975103249.db2.gz PZKCHWNBOPQJDB-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CCOCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001506065847 975105994 /nfs/dbraw/zinc/10/59/94/975105994.db2.gz XHHGPASHZMMUPY-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001377671402 975106406 /nfs/dbraw/zinc/10/64/06/975106406.db2.gz CKAHEXFGLPSXTG-HZPDHXFCSA-N 2 0 295.471 1.909 10 0 CDAERP C[N@H+](CCCF)C[C@@H]1CCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001377683755 975111667 /nfs/dbraw/zinc/11/16/67/975111667.db2.gz JHSASEPPWDYNLI-CABCVRRESA-N 2 0 299.434 1.611 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1nccs1 ZINC001377849011 975156084 /nfs/dbraw/zinc/15/60/84/975156084.db2.gz MDEISVURKYZNMO-WDEREUQCSA-N 2 0 284.429 1.078 10 0 CDAERP CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001506853825 975236412 /nfs/dbraw/zinc/23/64/12/975236412.db2.gz KMTUTGFWEAQNOE-SOUVJXGZSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@H](CNC(=O)Cc1ncc[nH]1)[N@H+](C)CCC(C)(C)C ZINC001378163558 975266685 /nfs/dbraw/zinc/26/66/85/975266685.db2.gz LZYUYKVMXZYEKI-GFCCVEGCSA-N 2 0 280.416 1.825 10 0 CDAERP CCCC[C@H](C[NH2+]CC1CC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001378433022 975349410 /nfs/dbraw/zinc/34/94/10/975349410.db2.gz UIPHQFCZPXXBAJ-CABCVRRESA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC(C)C)CC[N@@H+]1C ZINC001378544713 975386694 /nfs/dbraw/zinc/38/66/94/975386694.db2.gz FOWCIVUDGFHZGC-SOUVJXGZSA-N 2 0 283.460 1.715 10 0 CDAERP CO[C@H](C)C[NH2+]C[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001378584631 975405531 /nfs/dbraw/zinc/40/55/31/975405531.db2.gz GDKNMRKTLQCXJR-ZIAGYGMSSA-N 2 0 299.459 1.238 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001404504662 975411044 /nfs/dbraw/zinc/41/10/44/975411044.db2.gz VEYUHTKKLQOOSR-GJZGRUSLSA-N 2 0 281.444 1.707 10 0 CDAERP CCCC[N@@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001378678487 975439784 /nfs/dbraw/zinc/43/97/84/975439784.db2.gz MCANVFOWAHZMQH-AWEZNQCLSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)(C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCF)C[C@H]21)[NH+]1CCCC1 ZINC001378712499 975453860 /nfs/dbraw/zinc/45/38/60/975453860.db2.gz PDYYBUBIZLRESZ-ZSOGYDGISA-N 2 0 297.418 1.124 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001507408666 975457601 /nfs/dbraw/zinc/45/76/01/975457601.db2.gz DZFUFPDDGOFYDJ-GJZGRUSLSA-N 2 0 281.444 1.779 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)C[NH2+]CC2CCC2)CC[N@@H+]1C ZINC001401105586 975468678 /nfs/dbraw/zinc/46/86/78/975468678.db2.gz KHFQZPKRVKVYEZ-VNQPRFMTSA-N 2 0 295.471 1.859 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001401130525 975477055 /nfs/dbraw/zinc/47/70/55/975477055.db2.gz SHPUWYCZRKEBDL-KBPBESRZSA-N 2 0 299.459 1.095 10 0 CDAERP CC(C)[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CCCC1 ZINC001401175978 975495226 /nfs/dbraw/zinc/49/52/26/975495226.db2.gz OQLYYSSUGUTYJY-HNNXBMFYSA-N 2 0 293.455 1.755 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(C)C)CC[N@@H+]1C ZINC001401217212 975524786 /nfs/dbraw/zinc/52/47/86/975524786.db2.gz UQBUUICLERJLDM-SOUVJXGZSA-N 2 0 283.460 1.809 10 0 CDAERP O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@H](C[NH2+]CC2CC2)C1 ZINC001378890583 975531091 /nfs/dbraw/zinc/53/10/91/975531091.db2.gz IZTCOCFXRAPIJC-WKILWMFISA-N 2 0 293.455 1.757 10 0 CDAERP CC[C@@H](C)C[NH+]1CC(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001404910276 975535567 /nfs/dbraw/zinc/53/55/67/975535567.db2.gz UQGJNCKBMKSRBY-KGLIPLIRSA-N 2 0 281.444 1.422 10 0 CDAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC[C@H](C)F)C1)[NH+](C)C ZINC001404995335 975581781 /nfs/dbraw/zinc/58/17/81/975581781.db2.gz BBFOZXIKVXLMDH-RWMBFGLXSA-N 2 0 273.396 1.265 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001397695245 975681526 /nfs/dbraw/zinc/68/15/26/975681526.db2.gz XQONXMFHEBXLEK-APIJFGDWSA-N 2 0 299.434 1.561 10 0 CDAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](C[C@H](C)OC)[C@@H]1C ZINC001397803542 975727884 /nfs/dbraw/zinc/72/78/84/975727884.db2.gz QMRPOSWMYGMUDH-ZNMIVQPWSA-N 2 0 299.459 1.332 10 0 CDAERP C[C@@H]1[C@H](C(=O)N[C@@](C)(C[NH2+]CC2CC2)C2CC2)CC[N@@H+]1C ZINC001405445386 975748088 /nfs/dbraw/zinc/74/80/88/975748088.db2.gz XQTPPSIMQUOSTF-VMGRFDJRSA-N 2 0 293.455 1.611 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001401636028 975752339 /nfs/dbraw/zinc/75/23/39/975752339.db2.gz CPEVLSFGLXJITD-CHWSQXEVSA-N 2 0 287.423 1.703 10 0 CDAERP CC[C@H](C)C[N@@H+]1CCO[C@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001405741179 975843972 /nfs/dbraw/zinc/84/39/72/975843972.db2.gz PAJKIDBLIMBYNX-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CC[C@@H](C)O2)C1 ZINC001398666846 976097709 /nfs/dbraw/zinc/09/77/09/976097709.db2.gz OFFKTJSDOULIJC-APIJFGDWSA-N 2 0 297.443 1.131 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001380000803 976174028 /nfs/dbraw/zinc/17/40/28/976174028.db2.gz DCOGOYLDTLKLOM-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCC2([NH2+]CCC3CC3)CC2)CC[N@@H+]1C ZINC001380137426 976259362 /nfs/dbraw/zinc/25/93/62/976259362.db2.gz UTEKQKHPCYQWDG-ZFWWWQNUSA-N 2 0 293.455 1.755 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCC1CC1 ZINC001398971288 976274003 /nfs/dbraw/zinc/27/40/03/976274003.db2.gz ZGCPNGUXETWLPY-ZFWWWQNUSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1cncs1 ZINC001390396459 976276396 /nfs/dbraw/zinc/27/63/96/976276396.db2.gz GGUYKWUORVRTHR-NSHDSACASA-N 2 0 296.440 1.222 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CCC2CC2)CCN1C(=O)CC[NH+](C)C ZINC001380264839 976322780 /nfs/dbraw/zinc/32/27/80/976322780.db2.gz GNJRMUXJUSWKCM-UKRRQHHQSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H](C[N@H+](C)CCCF)NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001406641813 976323628 /nfs/dbraw/zinc/32/36/28/976323628.db2.gz YTNPTBRQDGMERZ-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001402552289 976354474 /nfs/dbraw/zinc/35/44/74/976354474.db2.gz QQJYZLCUKWWBTF-JHJVBQTASA-N 2 0 273.396 1.313 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC2(C1)CC[NH+](CCF)CC2 ZINC001407028780 976518615 /nfs/dbraw/zinc/51/86/15/976518615.db2.gz SMPJNDCRSFZUHX-UHFFFAOYSA-N 2 0 299.434 1.611 10 0 CDAERP CC[C@H](F)C[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001380701773 976521060 /nfs/dbraw/zinc/52/10/60/976521060.db2.gz BYFZHNGXGOXMCN-MJBXVCDLSA-N 2 0 285.407 1.076 10 0 CDAERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@@H](C)[NH2+]CC1CC1 ZINC001403016587 976664815 /nfs/dbraw/zinc/66/48/15/976664815.db2.gz KXBICDYNLDNSBV-CHWSQXEVSA-N 2 0 281.444 1.754 10 0 CDAERP C[NH+](C)CCCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCF ZINC001407661374 976728881 /nfs/dbraw/zinc/72/88/81/976728881.db2.gz LWVKAEAOLCXZNE-UONOGXRCSA-N 2 0 285.407 1.363 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001399929852 976754540 /nfs/dbraw/zinc/75/45/40/976754540.db2.gz MTWQSPAUOQZQCT-OLZOCXBDSA-N 2 0 273.396 1.124 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH+](CC2CCC2)C2CC2)C1 ZINC001391196982 976755971 /nfs/dbraw/zinc/75/59/71/976755971.db2.gz HDIMPIBTHVMAGH-HNNXBMFYSA-N 2 0 293.455 1.709 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)CCC(F)(F)F ZINC001403199974 976807167 /nfs/dbraw/zinc/80/71/67/976807167.db2.gz LIWCHLRWPJYWQG-WDEREUQCSA-N 2 0 295.349 1.327 10 0 CDAERP C[C@@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1ccon1 ZINC001403446911 976959224 /nfs/dbraw/zinc/95/92/24/976959224.db2.gz QHJHYUSTKZJLQN-STQMWFEESA-N 2 0 294.399 1.001 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]C/C=C/Cl ZINC001391689638 977047044 /nfs/dbraw/zinc/04/70/44/977047044.db2.gz GAOYUOXBCQHXRX-AIIKUZRDSA-N 2 0 287.835 1.564 10 0 CDAERP CC(C)C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001391834438 977111225 /nfs/dbraw/zinc/11/12/25/977111225.db2.gz VDILAFFZLDOHGP-SHTZXODSSA-N 2 0 283.460 2.000 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001400628824 977114800 /nfs/dbraw/zinc/11/48/00/977114800.db2.gz HZRKJBBCESTEFR-GJZGRUSLSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001400683339 977137891 /nfs/dbraw/zinc/13/78/91/977137891.db2.gz CGUXLIXISJYHCI-LSDHHAIUSA-N 2 0 299.434 1.801 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CCC(C)C)C[C@H]1C ZINC001382316151 977245673 /nfs/dbraw/zinc/24/56/73/977245673.db2.gz OMCPQIOIRGUEQT-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP Cc1ncc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)CC[NH+](C)C)C2)o1 ZINC001382321508 977250102 /nfs/dbraw/zinc/25/01/02/977250102.db2.gz XFMYQQRDLMGIQH-YPMHNXCESA-N 2 0 294.399 1.014 10 0 CDAERP CC[N@H+](CCNC(=O)C[NH+]1CCCC1)C[C@@H]1CCCCO1 ZINC001403938201 977272241 /nfs/dbraw/zinc/27/22/41/977272241.db2.gz GJPXIBCMVRIVCW-HNNXBMFYSA-N 2 0 297.443 1.089 10 0 CDAERP CC(C)(C)[C@H](C[NH2+]CC1CC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001382540167 977303963 /nfs/dbraw/zinc/30/39/63/977303963.db2.gz MJNUADXWHFIJGI-AWEZNQCLSA-N 2 0 293.455 1.613 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001392978184 977665432 /nfs/dbraw/zinc/66/54/32/977665432.db2.gz MBIHDHNLYRNMOL-IYBDPMFKSA-N 2 0 293.455 1.804 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](CCF)C3)CC1 ZINC001393375134 977773140 /nfs/dbraw/zinc/77/31/40/977773140.db2.gz NPNNTOJUAYIXJP-IHRRRGAJSA-N 2 0 297.418 1.267 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](C[C@@H](C)CC)C[C@@H]2C1 ZINC001393412581 977780995 /nfs/dbraw/zinc/78/09/95/977780995.db2.gz IJHYNFHDBAWMER-HRCADAONSA-N 2 0 295.471 1.765 10 0 CDAERP CCC[NH2+][C@H](CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001394195101 978101140 /nfs/dbraw/zinc/10/11/40/978101140.db2.gz WTDKQGDKMACEQP-LSDHHAIUSA-N 2 0 283.460 1.811 10 0 CDAERP CC[NH+]1CC([C@@H](C)NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001394247974 978116206 /nfs/dbraw/zinc/11/62/06/978116206.db2.gz LQRJJMMXEXFFNR-WBMJQRKESA-N 2 0 299.434 1.655 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)COC1CC[NH+](C)CC1)C(C)(C)C ZINC001394833951 978280106 /nfs/dbraw/zinc/28/01/06/978280106.db2.gz KGDRGGHYZATLEI-AWEZNQCLSA-N 2 0 299.459 1.238 10 0 CDAERP CC[NH+]1CCC([C@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001394848121 978282535 /nfs/dbraw/zinc/28/25/35/978282535.db2.gz MZQCZKHJGFJINM-KBPBESRZSA-N 2 0 281.444 1.565 10 0 CDAERP CCOCC[NH2+][C@H](C)[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001674746597 1174002313 /nfs/dbraw/zinc/00/23/13/1174002313.db2.gz CWPXRQZFGPDWJK-HUUCEWRRSA-N 2 0 299.459 1.238 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)C2([NH+](C)C)CCCC2)CC[N@@H+]1C ZINC001620943904 1174170283 /nfs/dbraw/zinc/17/02/83/1174170283.db2.gz HHWFQXTXIULMTE-CHWSQXEVSA-N 2 0 267.417 1.460 10 0 CDAERP CC(C)C[NH2+]CCC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001675965759 1174170542 /nfs/dbraw/zinc/17/05/42/1174170542.db2.gz FBEIRDVFMJQDKK-CQSZACIVSA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)C[NH2+]CC[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001570022132 1170060824 /nfs/dbraw/zinc/06/08/24/1170060824.db2.gz OKCRCIGUPMASDB-HNNXBMFYSA-N 2 0 283.460 1.811 10 0 CDAERP CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001570633573 1170217288 /nfs/dbraw/zinc/21/72/88/1170217288.db2.gz INWJPISJNKEGTA-NWDGAFQWSA-N 2 0 257.422 1.467 10 0 CDAERP CCC(C)(C)[NH2+]C[C@H](O)CO[C@@H]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000675079499 539085866 /nfs/dbraw/zinc/08/58/66/539085866.db2.gz GVQXMFFZMDYZMH-LXTVHRRPSA-N 2 0 284.444 1.673 10 0 CDAERP C[C@H](CNC(=O)N[C@@H]1CCC[N@H+](C)C1)[NH+]1CCC[C@@H](C)C1 ZINC000618554880 349482050 /nfs/dbraw/zinc/48/20/50/349482050.db2.gz KGXHSQBWYXTGEO-RBSFLKMASA-N 2 0 296.459 1.500 10 0 CDAERP [NH3+]CCCC[NH+]1CCN(c2cccc3c2OCCC3)CC1 ZINC000146005313 341997996 /nfs/dbraw/zinc/99/79/96/341997996.db2.gz XVHPGQKFFGUYIH-UHFFFAOYSA-N 2 0 289.423 1.873 10 0 CDAERP COc1ccc(C[NH2+]CCC2(C[NH3+])CC2)cc1OC ZINC000650712099 398154788 /nfs/dbraw/zinc/15/47/88/398154788.db2.gz QNPXYHKTYOAOBR-UHFFFAOYSA-N 2 0 264.369 1.922 10 0 CDAERP Cn1cnc2cc(C[NH2+]CCC3(C[NH3+])CC3)ccc21 ZINC000650712984 398155972 /nfs/dbraw/zinc/15/59/72/398155972.db2.gz AZFYXFCDWGYVJO-UHFFFAOYSA-N 2 0 258.369 1.792 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000601244558 342539188 /nfs/dbraw/zinc/53/91/88/342539188.db2.gz WQJJNFLHDDJYSI-CABCVRRESA-N 2 0 298.475 1.889 10 0 CDAERP CC[NH+](CC)CCc1nc(COC)c(C[NH2+]C)s1 ZINC000082446908 178025293 /nfs/dbraw/zinc/02/52/93/178025293.db2.gz FHJZOLDXFVFUDZ-UHFFFAOYSA-N 2 0 271.430 1.893 10 0 CDAERP CC1(C)[C@H]([NH2+]CCC2(C[NH3+])CC2)[C@H]2CCCO[C@H]21 ZINC000650745277 398173223 /nfs/dbraw/zinc/17/32/23/398173223.db2.gz CUKBKWFUJBROPA-JHJVBQTASA-N 2 0 252.402 1.909 10 0 CDAERP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCC1(C[NH3+])CC1 ZINC000650747907 398174294 /nfs/dbraw/zinc/17/42/94/398174294.db2.gz KDWYGXMQGNRUOW-HIFRSBDPSA-N 3 0 261.413 1.664 10 0 CDAERP CN(C)C(=O)C1(c2ccccc2)CC[NH+](CCC[NH3+])CC1 ZINC000039025037 342550732 /nfs/dbraw/zinc/55/07/32/342550732.db2.gz RJDZPBZTKIIMIO-UHFFFAOYSA-N 2 0 289.423 1.457 10 0 CDAERP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1cnn(C)c1 ZINC000650758052 398181566 /nfs/dbraw/zinc/18/15/66/398181566.db2.gz HRJLBODVFTXSRF-GFCCVEGCSA-N 2 0 258.369 1.990 10 0 CDAERP COc1cncc(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000625214988 342041734 /nfs/dbraw/zinc/04/17/34/342041734.db2.gz XXDDLFYLONEARR-WCQYABFASA-N 2 0 264.373 1.400 10 0 CDAERP CCO[C@H](C[N@H+](C)CCN(C)C1CC[NH+](C)CC1)C1CC1 ZINC000625265136 342060746 /nfs/dbraw/zinc/06/07/46/342060746.db2.gz IILIFCOPIFQCQB-QGZVFWFLSA-N 2 0 297.487 1.759 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)CCc1ncc[nH]1 ZINC000617009200 342605569 /nfs/dbraw/zinc/60/55/69/342605569.db2.gz URALPHKMYWYVRX-LLVKDONJSA-N 2 0 264.373 1.331 10 0 CDAERP [NH3+]CCN1CC[NH2+]C[C@@H]1c1ccc2ncccc2c1 ZINC000616637318 342122005 /nfs/dbraw/zinc/12/20/05/342122005.db2.gz VIFLWEGZCXYKAJ-OAHLLOKOSA-N 2 0 256.353 1.140 10 0 CDAERP C[N@@H+]1CCC[C@H]1CN[C@H]1CC[NH+](C)[C@H]2CCC[C@@H]21 ZINC000624272113 342144921 /nfs/dbraw/zinc/14/49/21/342144921.db2.gz ZDYXUSTXOZYHOG-XGUBFFRZSA-N 2 0 251.418 1.543 10 0 CDAERP CC(C)COC[C@H](O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366497891 361914095 /nfs/dbraw/zinc/91/40/95/361914095.db2.gz PJMGFQIMUQJBPN-CABCVRRESA-N 2 0 270.417 1.048 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CC1(CCO)CCCCC1 ZINC000423006112 293095102 /nfs/dbraw/zinc/09/51/02/293095102.db2.gz OCAJJJSCPUYGFH-AWEZNQCLSA-N 2 0 272.433 1.663 10 0 CDAERP [NH3+]CCCOCC[NH2+]C/C=C/c1ccc(F)cc1F ZINC000629399505 361935878 /nfs/dbraw/zinc/93/58/78/361935878.db2.gz IEARYTZRYAINEY-HNQUOIGGSA-N 2 0 270.323 1.933 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000629406860 361949642 /nfs/dbraw/zinc/94/96/42/361949642.db2.gz ZKZYURRUSXSLKD-RDJZCZTQSA-N 2 0 291.439 1.333 10 0 CDAERP CC[C@@H]1CN(C(=O)C2CCC(C[NH3+])CC2)CC[N@@H+]1C ZINC000097031653 185154565 /nfs/dbraw/zinc/15/45/65/185154565.db2.gz NGMIXQQMFHJIAI-JXQTWKCFSA-N 2 0 267.417 1.304 10 0 CDAERP CC(C)(C)OC(=O)N[C@@H]1C[NH2+]CC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000669384819 539072612 /nfs/dbraw/zinc/07/26/12/539072612.db2.gz HPBXZBLOXIQOEI-JHJVBQTASA-N 2 0 283.416 1.489 10 0 CDAERP O[C@H](C[NH2+]C(C1CC1)C1CC1)C[NH+]1CCCCC1 ZINC000151265558 539073339 /nfs/dbraw/zinc/07/33/39/539073339.db2.gz ZPNIGSGXQLPKBF-CQSZACIVSA-N 2 0 252.402 1.611 10 0 CDAERP C[C@@H]([NH2+]Cc1cccnc1N(C)C)C1CC[NH+](C)CC1 ZINC000154812463 539092421 /nfs/dbraw/zinc/09/24/21/539092421.db2.gz RCYNQZLSLOOBTD-CYBMUJFWSA-N 2 0 276.428 1.968 10 0 CDAERP C[C@@H]1C[C@]2(C[NH+]=C(N)N2Cc2ccccc2)C[N@@H+]1C ZINC000127982522 342296127 /nfs/dbraw/zinc/29/61/27/342296127.db2.gz OYUCOVVVIPXYLP-DOMZBBRYSA-N 2 0 258.369 1.280 10 0 CDAERP C[NH+](C)[C@@H]1CCN(C(=O)[C@H]([NH3+])CC2CCCCC2)C1 ZINC000261563304 282199536 /nfs/dbraw/zinc/19/95/36/282199536.db2.gz ANPSJKKISZUXQQ-ZIAGYGMSSA-N 2 0 267.417 1.447 10 0 CDAERP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594944793 342980207 /nfs/dbraw/zinc/98/02/07/342980207.db2.gz CFVFZRSBNCIHKW-NAWOPXAZSA-N 2 0 254.374 1.114 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108552335 349744474 /nfs/dbraw/zinc/74/44/74/349744474.db2.gz RNGCPHOVCMPLPR-HIFRSBDPSA-N 2 0 296.459 1.500 10 0 CDAERP C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]C2CCC(C[NH3+])CC2)CC1=O ZINC000567647623 362036934 /nfs/dbraw/zinc/03/69/34/362036934.db2.gz AUCVNRKWDKPEDJ-UUFIZFKYSA-N 2 0 265.401 1.103 10 0 CDAERP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCC3(CC3)CC2)CC1 ZINC000626113388 342356368 /nfs/dbraw/zinc/35/63/68/342356368.db2.gz QLNNPCKHXVTGEU-UHFFFAOYSA-N 2 0 293.455 1.853 10 0 CDAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000629525004 362146164 /nfs/dbraw/zinc/14/61/64/362146164.db2.gz XGXSOROSDRPTPI-FDYHWXHSSA-N 2 0 253.390 1.151 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000629529410 362157953 /nfs/dbraw/zinc/15/79/53/362157953.db2.gz BSKBSETVLNZYMR-YNEHKIRRSA-N 2 0 256.390 1.016 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000629530259 362158941 /nfs/dbraw/zinc/15/89/41/362158941.db2.gz AXPMPKCBSZMWMK-ZIAGYGMSSA-N 2 0 280.416 1.272 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H](COC)c1ccc(Cl)cc1 ZINC000629530758 362160383 /nfs/dbraw/zinc/16/03/83/362160383.db2.gz QIODPUUNYFECEB-CQSZACIVSA-N 2 0 286.803 1.853 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000629530983 362160561 /nfs/dbraw/zinc/16/05/61/362160561.db2.gz WRXWUUALNJAZAU-SOUVJXGZSA-N 2 0 270.417 1.407 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CC[NH2+][C@H]2CC)[C@@H](C)C1 ZINC000629526528 362147096 /nfs/dbraw/zinc/14/70/96/362147096.db2.gz XSVDXICOAYZLON-LUKYLMHMSA-N 2 0 297.487 1.854 10 0 CDAERP C=CCN(CC=C)CCC[NH2+]CCCCOCCC[NH3+] ZINC000034488819 342446132 /nfs/dbraw/zinc/44/61/32/342446132.db2.gz NWWDFQZQNNWRNK-UHFFFAOYSA-N 2 0 283.460 1.786 10 0 CDAERP [NH3+]CCCC[NH+]1CCN(c2cccc(F)c2F)CC1 ZINC000137024072 342445882 /nfs/dbraw/zinc/44/58/82/342445882.db2.gz BZYVYCMEGGJFCI-UHFFFAOYSA-N 2 0 269.339 1.826 10 0 CDAERP Cc1nn(C)c(C)c1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000375783068 282261259 /nfs/dbraw/zinc/26/12/59/282261259.db2.gz PXDDAWAAHKKNGY-FVQBIDKESA-N 2 0 276.428 1.999 10 0 CDAERP CSC1(C[NH2+][C@H]2CO[C@H](C3CC3)C2)CC[NH+](C)CC1 ZINC000597133768 343454085 /nfs/dbraw/zinc/45/40/85/343454085.db2.gz XZONGIGRERUTJR-KGLIPLIRSA-N 2 0 284.469 1.971 10 0 CDAERP COC(=O)CCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250300026 349831544 /nfs/dbraw/zinc/83/15/44/349831544.db2.gz BGMSZZIKFFIXFL-QWHCGFSZSA-N 2 0 254.374 1.404 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000598995467 343936228 /nfs/dbraw/zinc/93/62/28/343936228.db2.gz YCZCWUCSQFYZEH-REWJHTLYSA-N 2 0 268.401 1.506 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000411913707 362295608 /nfs/dbraw/zinc/29/56/08/362295608.db2.gz SJUNOXIZECODRM-LSDHHAIUSA-N 2 0 281.444 1.804 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000251698005 344044149 /nfs/dbraw/zinc/04/41/49/344044149.db2.gz IRJIIVBFBLQBDG-IPYPFGDCSA-N 2 0 265.401 1.071 10 0 CDAERP Cc1nc2n(n1)C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)CC2 ZINC000623396823 346154413 /nfs/dbraw/zinc/15/44/13/346154413.db2.gz CXYAVGSISLJVBL-QWHCGFSZSA-N 2 0 277.416 1.364 10 0 CDAERP CC[NH+](CC)CCn1cc(NC(=O)[C@@H]2CCC[C@H]2[NH3+])cn1 ZINC000085366327 179037246 /nfs/dbraw/zinc/03/72/46/179037246.db2.gz QRGLYGVYLUAEIF-ZIAGYGMSSA-N 2 0 293.415 1.291 10 0 CDAERP CNC(=O)CC[N@@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403679 179053093 /nfs/dbraw/zinc/05/30/93/179053093.db2.gz RWPRMBMVBLHNLY-CQSZACIVSA-N 2 0 267.417 1.367 10 0 CDAERP Cc1nc2c(n1CC(C)(C)C[NH+](C)C)CC[NH2+]C2 ZINC000085568342 179095305 /nfs/dbraw/zinc/09/53/05/179095305.db2.gz SZXYVFAXNIJCSR-UHFFFAOYSA-N 2 0 250.390 1.425 10 0 CDAERP C[NH+]1CCC(CCNC(=O)c2ccccc2CC[NH3+])CC1 ZINC000229944502 346545837 /nfs/dbraw/zinc/54/58/37/346545837.db2.gz FCZLARNZXMANQU-UHFFFAOYSA-N 2 0 289.423 1.650 10 0 CDAERP C[NH+](C)[C@]1(CN[C@H]2CC[N@H+](C)C(C)(C)C2)CCSC1 ZINC000623439831 346758294 /nfs/dbraw/zinc/75/82/94/346758294.db2.gz ZKUMJYIKGCIQLE-ZFWWWQNUSA-N 2 0 285.501 1.886 10 0 CDAERP CC[N@@H+]1CCN(C(=O)[C@H]2CCc3[nH]cnc3C2)C[C@H]1C ZINC000612953125 347336974 /nfs/dbraw/zinc/33/69/74/347336974.db2.gz XVJCSQMSUCGYNZ-NEPJUHHUSA-N 2 0 276.384 1.067 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)N[C@@]2(C)CC[NH2+]C2)CC1 ZINC000612896142 347319353 /nfs/dbraw/zinc/31/93/53/347319353.db2.gz OQDZOYWGIVVSFY-PIMMBPRGSA-N 2 0 282.432 1.158 10 0 CDAERP CC[N@@H+]1CCC[C@@H](N2CC[NH2+][C@H](C(C)(C)C)C2)C1 ZINC000086143108 179237776 /nfs/dbraw/zinc/23/77/76/179237776.db2.gz JCYUZAAIWQOYIH-KGLIPLIRSA-N 2 0 253.434 1.791 10 0 CDAERP C[C@H]1C[NH2+][C@@H](Cc2ccccc2)CN1CCC[NH+](C)C ZINC000086153946 179241481 /nfs/dbraw/zinc/24/14/81/179241481.db2.gz MFSYEYRRQILDNJ-RDJZCZTQSA-N 2 0 275.440 1.843 10 0 CDAERP Cc1cccc2c1C[C@H]([NH2+][C@@H]1CN(C)C[C@H]1C)CO2 ZINC000623608134 347656128 /nfs/dbraw/zinc/65/61/28/347656128.db2.gz YMAYSSAJDHFGQY-VNHYZAJKSA-N 2 0 260.381 1.838 10 0 CDAERP C[C@H]([NH2+][C@@H]1CCCN(CCCO)C1)[C@H]1CCCCO1 ZINC000623991203 349383029 /nfs/dbraw/zinc/38/30/29/349383029.db2.gz ABNHDUIVVGFUQB-RRFJBIMHSA-N 2 0 270.417 1.380 10 0 CDAERP C[C@H]([NH2+]CCOCCC[NH3+])c1ccc(F)c(F)c1 ZINC000629539544 362957727 /nfs/dbraw/zinc/95/77/27/362957727.db2.gz MVYMDSIEKPDSJN-JTQLQIEISA-N 2 0 258.312 1.981 10 0 CDAERP Cc1c([C@H](C)[NH2+]CCOCCC[NH3+])cnn1C(C)(C)C ZINC000629541434 362964772 /nfs/dbraw/zinc/96/47/72/362964772.db2.gz ZPAILJUEEAGSLN-LBPRGKRZSA-N 2 0 282.432 1.963 10 0 CDAERP CN(C(=O)[C@@H]1CCC[NH2+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309703144 350541053 /nfs/dbraw/zinc/54/10/53/350541053.db2.gz GVEBCLOPGLQJAO-HOTGVXAUSA-N 2 0 287.407 1.471 10 0 CDAERP CC(=O)N1CC[C@@H]([NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000621387854 350581193 /nfs/dbraw/zinc/58/11/93/350581193.db2.gz TUTYEDMOSOVBPM-OAHLLOKOSA-N 2 0 299.378 1.286 10 0 CDAERP CCn1nccc1CC[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000621775502 350772075 /nfs/dbraw/zinc/77/20/75/350772075.db2.gz QJISRORSAPSNMU-ZDUSSCGKSA-N 2 0 250.390 1.506 10 0 CDAERP CN(CC1C[NH+](C)C1)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000622161673 351044686 /nfs/dbraw/zinc/04/46/86/351044686.db2.gz GBAFEGOYIDOPMA-CQSZACIVSA-N 2 0 267.417 1.271 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC[C@@H](O)C[NH+]1CCCC1 ZINC000629558988 363001295 /nfs/dbraw/zinc/00/12/95/363001295.db2.gz BSFVCCIERCLBDS-OWCLPIDISA-N 2 0 283.460 1.296 10 0 CDAERP O[C@H](C[NH2+]CCc1cc(F)ccc1F)C[NH+]1CCCC1 ZINC000629562581 363009029 /nfs/dbraw/zinc/00/90/29/363009029.db2.gz BCISBHLHAIZHKI-CQSZACIVSA-N 2 0 284.350 1.554 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)CCSc1ccccc1 ZINC000629570099 363016776 /nfs/dbraw/zinc/01/67/76/363016776.db2.gz UOFNOKLGPYUGAZ-UHFFFAOYSA-N 2 0 268.426 1.947 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1cccc(OC)c1 ZINC000629571124 363017561 /nfs/dbraw/zinc/01/75/61/363017561.db2.gz QCMVCFMHLSDVOE-UHFFFAOYSA-N 2 0 252.358 1.363 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000623749829 351269668 /nfs/dbraw/zinc/26/96/68/351269668.db2.gz QNSDLMZTTIKVLR-JNSHFYNHSA-N 2 0 272.352 1.436 10 0 CDAERP CC(C)(C[NH+]1CCCC1)NC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333682732 363097357 /nfs/dbraw/zinc/09/73/57/363097357.db2.gz OYOIJGPKCTZESK-CYBMUJFWSA-N 2 0 282.432 1.302 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(Cc1ccc3c(c1)C[NH2+]CC3)C2 ZINC000629592330 363102518 /nfs/dbraw/zinc/10/25/18/363102518.db2.gz AIEMEWYMZVAUDD-HDICACEKSA-N 2 0 285.435 1.764 10 0 CDAERP CCO[C@H](C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)C1CC1 ZINC000629592348 363102846 /nfs/dbraw/zinc/10/28/46/363102846.db2.gz ATOBXLSSUGCLST-KFWWJZLASA-N 2 0 252.402 1.733 10 0 CDAERP CCCN(C(=O)NC[C@@H](C)[NH+](CC)CC)C1CC[NH2+]CC1 ZINC000417012190 535219632 /nfs/dbraw/zinc/21/96/32/535219632.db2.gz WDOVZTROHIBHIA-CQSZACIVSA-N 2 0 298.475 1.890 10 0 CDAERP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N[C@@H]1CCCC[NH2+]C1 ZINC000333938766 363241232 /nfs/dbraw/zinc/24/12/32/363241232.db2.gz MTPHZBZZDVXXRS-MCIONIFRSA-N 2 0 280.416 1.055 10 0 CDAERP CO[C@@H](C[NH+]1CCC([N@H+](C)CCCO)CC1)C1CCCC1 ZINC000659931584 412621517 /nfs/dbraw/zinc/62/15/17/412621517.db2.gz RDNKXHVZHRAVTL-KRWDZBQOSA-N 2 0 298.471 1.970 10 0 CDAERP CCOc1ccc(C[NH2+]CCC[NH2+]CCO)cc1OC ZINC000013733013 356355567 /nfs/dbraw/zinc/35/55/67/356355567.db2.gz CZIIREHKXISJHO-UHFFFAOYSA-N 2 0 282.384 1.156 10 0 CDAERP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634766143 358503497 /nfs/dbraw/zinc/50/34/97/358503497.db2.gz SPVZJGAYDFCROE-FQLMCAECSA-N 2 0 277.412 1.119 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000418196647 283176408 /nfs/dbraw/zinc/17/64/08/283176408.db2.gz DNNKWTINNOTIMD-MGPQQGTHSA-N 2 0 284.448 1.404 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000418196649 283184708 /nfs/dbraw/zinc/18/47/08/283184708.db2.gz DNNKWTINNOTIMD-RDBSUJKOSA-N 2 0 284.448 1.404 10 0 CDAERP CC[C@@H](C)C[C@@H]([NH3+])CNc1ccnn1C1C[NH2+]C1 ZINC000725258638 538452960 /nfs/dbraw/zinc/45/29/60/538452960.db2.gz VNNYQGGZPAVFPT-GHMZBOCLSA-N 2 0 251.378 1.203 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2(C(N)=O)CCCC2)[C@@H]2CCC[C@H]21 ZINC000565552703 357154041 /nfs/dbraw/zinc/15/40/41/357154041.db2.gz DDTWAQWNBFSZQP-MELADBBJSA-N 2 0 279.428 1.495 10 0 CDAERP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000565715935 357335938 /nfs/dbraw/zinc/33/59/38/357335938.db2.gz VYTPGCJULIJDLT-IHRRRGAJSA-N 2 0 267.417 1.508 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)CC[C@H]1CCC[NH2+]C1)C2 ZINC000634741870 358190160 /nfs/dbraw/zinc/19/01/60/358190160.db2.gz ROEYRVXDXUWLJB-BMFZPTHFSA-N 2 0 279.428 1.224 10 0 CDAERP O=C(C[C@@H]1CCC[NH2+]C1)N1CC[NH+](C2CCCC2)CC1 ZINC000054292931 358710457 /nfs/dbraw/zinc/71/04/57/358710457.db2.gz DEOHZPGPLPVXKI-AWEZNQCLSA-N 2 0 279.428 1.463 10 0 CDAERP O=C(C[C@@H]1CCC[NH2+]1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000042170186 358911563 /nfs/dbraw/zinc/91/15/63/358911563.db2.gz MCWNGMVAEBJOSU-HNNXBMFYSA-N 2 0 279.428 1.463 10 0 CDAERP CC[C@H](C(=O)N1CCC([NH+](C)C)CC1)[NH+](CC)CC ZINC000345763298 358903208 /nfs/dbraw/zinc/90/32/08/358903208.db2.gz ITHBAIQNLKQDCZ-CQSZACIVSA-N 2 0 269.433 1.659 10 0 CDAERP C[C@@]1(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)CC[NH2+]C1 ZINC000261887114 359077126 /nfs/dbraw/zinc/07/71/26/359077126.db2.gz SCRQTPNNFYIXSG-HUUCEWRRSA-N 2 0 261.369 1.534 10 0 CDAERP C[NH2+]C[C@@H](C)C(=O)N1CCNC[C@@H]1c1ccccc1OC ZINC000261928602 359092977 /nfs/dbraw/zinc/09/29/77/359092977.db2.gz JJZJMMFQTZWMKR-TZMCWYRMSA-N 2 0 291.395 1.024 10 0 CDAERP Fc1cccc(F)c1N1CC[C@H](N[C@H]2CC[NH2+]C2)C1 ZINC000335251182 359112352 /nfs/dbraw/zinc/11/23/52/359112352.db2.gz MXRBDLSWBHTNDV-QWRGUYRKSA-N 2 0 267.323 1.495 10 0 CDAERP C[N@H+](CC(C)(C)CN1CCOCC1)C[C@]1(C)CC[NH2+]C1 ZINC000261984177 359114226 /nfs/dbraw/zinc/11/42/26/359114226.db2.gz JNQRVTOAALKSFU-MRXNPFEDSA-N 2 0 283.460 1.276 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCC[NH2+]2)[C@@H](C)C1 ZINC000637001030 359114566 /nfs/dbraw/zinc/11/45/66/359114566.db2.gz FSTALQXJXIMZTR-KKUMJFAQSA-N 2 0 296.459 1.500 10 0 CDAERP CCOC(=O)[C@@]1(C(C)C)CC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262013629 359123255 /nfs/dbraw/zinc/12/32/55/359123255.db2.gz MMTCTEDJWIJCCA-CVEARBPZSA-N 2 0 282.428 1.897 10 0 CDAERP CCC(CC)(C[NH3+])C(=O)NCC1([NH3+])CCCCCC1 ZINC000262050506 359130815 /nfs/dbraw/zinc/13/08/15/359130815.db2.gz UZPNUBFKYQTZBZ-UHFFFAOYSA-N 2 0 269.433 1.919 10 0 CDAERP CC(C)C[C@H]([NH2+][C@H](C)[C@@H]1CCOC1)C(=O)NCC[NH+](C)C ZINC000347227872 359239996 /nfs/dbraw/zinc/23/99/96/359239996.db2.gz MZKUYXYRZYULNL-KFWWJZLASA-N 2 0 299.459 1.094 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cccc(OC)n2)[C@H](C)C1 ZINC000347424000 359360510 /nfs/dbraw/zinc/36/05/10/359360510.db2.gz YYROAQTWQWPGKY-UKRRQHHQSA-N 2 0 277.412 1.953 10 0 CDAERP C[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000113512369 359408700 /nfs/dbraw/zinc/40/87/00/359408700.db2.gz TWJWCBLSPSWWQD-SJORKVTESA-N 2 0 292.423 1.448 10 0 CDAERP C[C@@H]1CCC[N@H+](CCN[C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000422855890 359662277 /nfs/dbraw/zinc/66/22/77/359662277.db2.gz DEBGTZCQHAWGFJ-FVQBIDKESA-N 2 0 281.444 1.075 10 0 CDAERP CC(C)[NH+]1CCC(N[C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000422991127 359702729 /nfs/dbraw/zinc/70/27/29/359702729.db2.gz OFZQJGHXJRTXNF-HOTGVXAUSA-N 2 0 281.444 1.216 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCn2ccnc2)[C@@H](C)C1 ZINC000336705331 359740283 /nfs/dbraw/zinc/74/02/83/359740283.db2.gz JISRYAMMFFUVSW-UONOGXRCSA-N 2 0 250.390 1.545 10 0 CDAERP CC[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)C1CC1 ZINC000423506414 359827905 /nfs/dbraw/zinc/82/79/05/359827905.db2.gz IVIHNIICVPGUQA-UYSNPLJNSA-N 2 0 265.445 1.981 10 0 CDAERP C[N@H+](CCCO)C1CC[NH+](C[C@@H](O)C(C)(C)C)CC1 ZINC000336809799 359849855 /nfs/dbraw/zinc/84/98/55/359849855.db2.gz WXCOOPNEGRCHOQ-CQSZACIVSA-N 2 0 272.433 1.172 10 0 CDAERP C[C@H]1C[C@H](N(C)CC(=O)NCC2CCC2)CC[N@@H+]1C ZINC000123130511 360262047 /nfs/dbraw/zinc/26/20/47/360262047.db2.gz XCMAYCYRHTUSTG-GXTWGEPZSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)CCO1 ZINC000352618463 363743782 /nfs/dbraw/zinc/74/37/82/363743782.db2.gz QQXGVGZEWGKMBN-UHDSXZAQSA-N 2 0 296.455 1.985 10 0 CDAERP c1ccc(N2CC[C@H](C[NH2+]CC34CC(C3)C[NH2+]4)C2)cc1 ZINC000634995802 360624551 /nfs/dbraw/zinc/62/45/51/360624551.db2.gz PIWAYEKAPVOHHW-HPUBIQBYSA-N 2 0 271.408 1.855 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000626947068 360685016 /nfs/dbraw/zinc/68/50/16/360685016.db2.gz KKEHVPQSOXRVSD-KBXIAJHMSA-N 2 0 296.459 1.547 10 0 CDAERP CC(C)[C@@H]1C[C@@H](C[NH2+]C[C@H](O)CN(C)C2CC2)CCO1 ZINC000564723188 360777026 /nfs/dbraw/zinc/77/70/26/360777026.db2.gz HSCNCZRRYOCGSP-BPUTZDHNSA-N 2 0 284.444 1.482 10 0 CDAERP CC(C)[C@@H](C(=O)N1CC[NH+]2CCC1CC2)[NH+]1CCCCC1 ZINC000335723157 360843754 /nfs/dbraw/zinc/84/37/54/360843754.db2.gz IQFJPDVVQMNBPZ-INIZCTEOSA-N 2 0 293.455 1.804 10 0 CDAERP [NH3+]C1(C(=O)N2CCC(C[NH+]3CCCC3)CC2)CCC1 ZINC000147989456 360886247 /nfs/dbraw/zinc/88/62/47/360886247.db2.gz IQHZTLVBSMTGOG-UHFFFAOYSA-N 2 0 265.401 1.202 10 0 CDAERP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1cccc(-n2cnnn2)c1 ZINC000643521157 360990109 /nfs/dbraw/zinc/99/01/09/360990109.db2.gz KWMGBDROEUVAFU-GXTWGEPZSA-N 2 0 286.383 1.455 10 0 CDAERP C[N@@H+]1CC[C@@H](CNC(=O)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000431749150 361042109 /nfs/dbraw/zinc/04/21/09/361042109.db2.gz JZDHIUJDHAXAOY-KBPBESRZSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CC(O)(C2CC2)C2CC2)CC[N@@H+]1C ZINC000639321502 361091672 /nfs/dbraw/zinc/09/16/72/361091672.db2.gz NSCFUOOTTSSIQG-BXUZGUMPSA-N 2 0 252.402 1.610 10 0 CDAERP C[C@H](CNC(=O)C[C@H]1CCC[NH2+]C1)C[NH+]1CCCCC1 ZINC000054308311 361380780 /nfs/dbraw/zinc/38/07/80/361380780.db2.gz WDLXRRLXTVHCAK-HUUCEWRRSA-N 2 0 281.444 1.614 10 0 CDAERP CC(C)(CNC(=O)C1CC[NH2+]CC1)[NH+]1CCCCC1 ZINC000011955377 361395446 /nfs/dbraw/zinc/39/54/46/361395446.db2.gz PAUCZSGNCVPGKN-UHFFFAOYSA-N 2 0 267.417 1.367 10 0 CDAERP C[C@@H](C[NH3+])NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000417937728 361424780 /nfs/dbraw/zinc/42/47/80/361424780.db2.gz IRTWAGGMBFJONX-YUTCNCBUSA-N 2 0 276.384 1.078 10 0 CDAERP C[C@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)[NH+](C)C ZINC000350916580 361428060 /nfs/dbraw/zinc/42/80/60/361428060.db2.gz FIDCGCIHEKHBSH-OLZOCXBDSA-N 2 0 255.406 1.317 10 0 CDAERP COCC[N@H+](C)CCCNC(=O)CC[C@H]1CCCC[NH+]1C ZINC000351402863 361664481 /nfs/dbraw/zinc/66/44/81/361664481.db2.gz NZQQAKSBEFMQQM-OAHLLOKOSA-N 2 0 299.459 1.335 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000336616887 363840257 /nfs/dbraw/zinc/84/02/57/363840257.db2.gz VLKGKCKAKDPHIL-GOEBONIOSA-N 2 0 279.428 1.415 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCC[N@H+](C)C1CC1 ZINC000352741578 363850265 /nfs/dbraw/zinc/85/02/65/363850265.db2.gz YQPICVQGUVLTHR-KBPBESRZSA-N 2 0 296.459 1.643 10 0 CDAERP CC(C)(CC[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)C1CC1 ZINC000406091688 482880140 /nfs/dbraw/zinc/88/01/40/482880140.db2.gz CSIVGPQOXJMOTL-OAHLLOKOSA-N 2 0 265.445 1.792 10 0 CDAERP CC(C)C[C@H]([NH3+])c1noc(-c2cc([C@H]3CC[NH2+]C3)[nH]n2)n1 ZINC000514603725 364753483 /nfs/dbraw/zinc/75/34/83/364753483.db2.gz WAWBHWUEFLIZJE-UWVGGRQHSA-N 2 0 290.371 1.583 10 0 CDAERP CN(CC[NH+]1CCCC1)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000353079809 364952480 /nfs/dbraw/zinc/95/24/80/364952480.db2.gz UYFWVUNTEZTXBE-OAHLLOKOSA-N 2 0 281.444 1.805 10 0 CDAERP O=C1NCC[C@@H]1[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000178914087 364956807 /nfs/dbraw/zinc/95/68/07/364956807.db2.gz HPGAXIRLHFHLIY-HNNXBMFYSA-N 2 0 279.428 1.463 10 0 CDAERP COC[C@@H](C)C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000188352633 365195147 /nfs/dbraw/zinc/19/51/47/365195147.db2.gz WOCYYVMRMWBFEZ-YOEHRIQHSA-N 2 0 292.423 1.625 10 0 CDAERP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1C[C@H]1C ZINC000666089959 482905871 /nfs/dbraw/zinc/90/58/71/482905871.db2.gz BPBDSGZMBICENF-NYTXWWLZSA-N 2 0 265.445 1.789 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](O)CC1CCCC1 ZINC000516563354 366869654 /nfs/dbraw/zinc/86/96/54/366869654.db2.gz GHVRIBSPAFMXDL-GDBMZVCRSA-N 2 0 283.460 1.153 10 0 CDAERP C[C@@H]([NH3+])CNC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000641427298 365423006 /nfs/dbraw/zinc/42/30/06/365423006.db2.gz YATYEWOYUFMUQS-CYBMUJFWSA-N 2 0 298.475 1.876 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000136339839 482911663 /nfs/dbraw/zinc/91/16/63/482911663.db2.gz RKMYFJISCCCRCG-JHJVBQTASA-N 2 0 253.390 1.103 10 0 CDAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)[C@@H]1C[C@@H]1C ZINC000414132226 241080468 /nfs/dbraw/zinc/08/04/68/241080468.db2.gz MHPABXUARBXNEV-GBJTYRQASA-N 2 0 253.434 1.647 10 0 CDAERP C[C@@H](C[NH2+]CCN1CC[NH2+]CC1)Cc1ccccc1 ZINC000414861701 241424395 /nfs/dbraw/zinc/42/43/95/241424395.db2.gz FZQIHLOPWQUZTQ-OAHLLOKOSA-N 2 0 261.413 1.360 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000626979334 367122724 /nfs/dbraw/zinc/12/27/24/367122724.db2.gz ADDAXDUNZSCBPD-XQQFMLRXSA-N 2 0 284.448 1.402 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000626971079 367109302 /nfs/dbraw/zinc/10/93/02/367109302.db2.gz XZTKTQXTTSEKRH-BFHYXJOUSA-N 2 0 282.432 1.156 10 0 CDAERP C[C@@H](NC(=O)N[C@@H]1CC[NH2+]C12CCC2)C(C)(C)C[NH+](C)C ZINC000626996982 367217973 /nfs/dbraw/zinc/21/79/73/367217973.db2.gz KRQPFEMXLRUHAO-CHWSQXEVSA-N 2 0 296.459 1.547 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627038640 367280512 /nfs/dbraw/zinc/28/05/12/367280512.db2.gz PMMQMIUMBNPDTR-MGPQQGTHSA-N 2 0 284.448 1.547 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCCC[C@@H]1CCC[NH2+]1)C2 ZINC000627101219 367439480 /nfs/dbraw/zinc/43/94/80/367439480.db2.gz SURCWMSWFREFCS-CWRNSKLLSA-N 2 0 294.443 1.160 10 0 CDAERP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CCc1cnc(C2CC2)nc1 ZINC000358223259 367522121 /nfs/dbraw/zinc/52/21/21/367522121.db2.gz JUGHGLFEDMLABP-WBMJQRKESA-N 2 0 286.423 1.969 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C)CCC[NH3+] ZINC000416998142 242258176 /nfs/dbraw/zinc/25/81/76/242258176.db2.gz AVYIZNQHOFTXKQ-VXGBXAGGSA-N 2 0 258.410 1.143 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)N(CCC[NH3+])CC2CCCC2)C[NH2+]1 ZINC000627208664 367706141 /nfs/dbraw/zinc/70/61/41/367706141.db2.gz BJMSZSIQRRFUQL-UKRRQHHQSA-N 2 0 296.459 1.678 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)C1=CC[C@H]([NH3+])C1)c1cccs1 ZINC000638049603 367785609 /nfs/dbraw/zinc/78/56/09/367785609.db2.gz NARPSDVTDDPJDB-RYUDHWBXSA-N 2 0 279.409 1.515 10 0 CDAERP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627243225 367832398 /nfs/dbraw/zinc/83/23/98/367832398.db2.gz DWBFYHNDHMVVMZ-ZOBORPQBSA-N 2 0 280.416 1.005 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)CC2(O)CCC2)[C@@H](C)C1 ZINC000528417396 367834282 /nfs/dbraw/zinc/83/42/82/367834282.db2.gz SAGHCZGTRUCWFI-KKUMJFAQSA-N 2 0 284.444 1.315 10 0 CDAERP [NH3+][C@@H]1CC=C(C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000638054274 367837551 /nfs/dbraw/zinc/83/75/51/367837551.db2.gz MNTMLGDPZNJQJZ-CYBMUJFWSA-N 2 0 251.374 1.026 10 0 CDAERP CC1=CC[N@H+](CCNC(=O)N(CC[NH+](C)C)C(C)C)CC1 ZINC000358652717 367846638 /nfs/dbraw/zinc/84/66/38/367846638.db2.gz SUWFNEBXWBLSPC-UHFFFAOYSA-N 2 0 296.459 1.620 10 0 CDAERP CN(C(=O)N[C@H]1CC[NH+](C2CC2)C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000359389879 367944802 /nfs/dbraw/zinc/94/48/02/367944802.db2.gz MJUKAIBFEYCKOL-SWLSCSKDSA-N 2 0 292.427 1.101 10 0 CDAERP CCC[C@@H]1C[NH2+]CCN1C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418442400 243082753 /nfs/dbraw/zinc/08/27/53/243082753.db2.gz DTDLBBXTOFIXMH-CABCVRRESA-N 2 0 290.411 1.470 10 0 CDAERP [NH3+]CC[C@H]1CCCN(C(=O)NC[C@H]([NH3+])c2ccccc2)C1 ZINC000418451486 243094403 /nfs/dbraw/zinc/09/44/03/243094403.db2.gz MRVYVPYALPNIMB-HIFRSBDPSA-N 2 0 290.411 1.457 10 0 CDAERP C[C@@H]1[NH2+]CCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)[C@H]1C ZINC000418453411 243097417 /nfs/dbraw/zinc/09/74/17/243097417.db2.gz PEHPPZDCDZFFJZ-SGMGOOAPSA-N 2 0 276.384 1.078 10 0 CDAERP CCCC[C@H](C[NH3+])NC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000418459606 243103956 /nfs/dbraw/zinc/10/39/56/243103956.db2.gz GSXCEMMRUTZQSO-RRFJBIMHSA-N 2 0 298.475 1.876 10 0 CDAERP C[C@H](C[NH3+])CNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000418462137 243106152 /nfs/dbraw/zinc/10/61/52/243106152.db2.gz BCOBCRVFRXFZCH-CYBMUJFWSA-N 2 0 282.432 1.099 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000418583043 243237919 /nfs/dbraw/zinc/23/79/19/243237919.db2.gz WHKYRWJNULCAJP-ZFWWWQNUSA-N 2 0 296.459 1.500 10 0 CDAERP CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000418583039 243238089 /nfs/dbraw/zinc/23/80/89/243238089.db2.gz WHKBQWVUSMMUDB-LSDHHAIUSA-N 2 0 296.459 1.502 10 0 CDAERP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@@H](C)[C@@H](C)[NH3+])o1 ZINC000418709067 243362459 /nfs/dbraw/zinc/36/24/59/243362459.db2.gz UQTZOPXNSIVQTB-OLZOCXBDSA-N 2 0 296.415 1.397 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C1(CO)CCC1 ZINC000542309487 368752565 /nfs/dbraw/zinc/75/25/65/368752565.db2.gz RBELLHGQDSKFHD-UHFFFAOYSA-N 2 0 272.352 1.580 10 0 CDAERP C[N@@H+]1CC[C@H](NCCC[NH+]2CCCC2)[C@@H]2CCC[C@@H]21 ZINC000367621311 369200143 /nfs/dbraw/zinc/20/01/43/369200143.db2.gz ZZVUCVANJIVOKD-JYJNAYRXSA-N 2 0 265.445 1.935 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCn2cccn2)[C@@H]2CCC[C@H]21 ZINC000367615993 369200290 /nfs/dbraw/zinc/20/02/90/369200290.db2.gz MTDAPXQWBJHLHI-SOUVJXGZSA-N 2 0 262.401 1.736 10 0 CDAERP C[C@H]1CC[N@H+](CCNC(=O)c2cnccc2N(C)C)C1 ZINC000545382954 369212492 /nfs/dbraw/zinc/21/24/92/369212492.db2.gz CWKSURUWYAKVHE-LBPRGKRZSA-N 2 0 276.384 1.219 10 0 CDAERP CCn1cc(CC[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cn1 ZINC000368352551 369445558 /nfs/dbraw/zinc/44/55/58/369445558.db2.gz SXZOOQHPSSZJGU-OAHLLOKOSA-N 2 0 262.401 1.473 10 0 CDAERP C[C@@]1(C(=O)N2CCC(C[NH+]3CCCC3)CC2)CCCC[NH2+]1 ZINC000136200303 369809494 /nfs/dbraw/zinc/80/94/94/369809494.db2.gz BUDOQHPWTCNTCD-KRWDZBQOSA-N 2 0 293.455 1.853 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)C1CC1 ZINC000548419680 369848998 /nfs/dbraw/zinc/84/89/98/369848998.db2.gz GLIRSBIEIIEOSP-XQQFMLRXSA-N 2 0 267.417 1.316 10 0 CDAERP CCn1nccc1CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000370185598 369977143 /nfs/dbraw/zinc/97/71/43/369977143.db2.gz RDQYIIPJLLSBGV-GDBMZVCRSA-N 2 0 276.428 1.862 10 0 CDAERP CC[C@H](C)C[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000120460274 370401940 /nfs/dbraw/zinc/40/19/40/370401940.db2.gz IKUHUMSEEKNDMH-DLBZAZTESA-N 2 0 297.487 1.759 10 0 CDAERP C[C@H](CC(=O)N1CCCCCC1)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000414931320 370475754 /nfs/dbraw/zinc/47/57/54/370475754.db2.gz PVNVSWCACNDTCV-ZNMIVQPWSA-N 2 0 281.444 1.755 10 0 CDAERP C[N@H+](CCN[C@H]1CCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000422700427 245158851 /nfs/dbraw/zinc/15/88/51/245158851.db2.gz GZIHKPKVAUAQGV-HIFRSBDPSA-N 2 0 253.434 1.968 10 0 CDAERP CCCn1cc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)cn1 ZINC000414960312 371081272 /nfs/dbraw/zinc/08/12/72/371081272.db2.gz ANYUKBXJUQHNCI-CQSZACIVSA-N 2 0 250.390 1.915 10 0 CDAERP [NH3+]CC1CCC([NH2+]C[C@@H]2COc3ccccc3O2)CC1 ZINC000422765541 245231058 /nfs/dbraw/zinc/23/10/58/245231058.db2.gz QKBIYMIKYYLRIU-JXQTWKCFSA-N 2 0 276.380 1.934 10 0 CDAERP Cc1ccc(CC[C@H](C)[NH2+]C[C@@H](O)CN(C)C2CC2)o1 ZINC000567690502 371102327 /nfs/dbraw/zinc/10/23/27/371102327.db2.gz CQHFPNIPUCTXPJ-SWLSCSKDSA-N 2 0 280.412 1.954 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@H]2CCCNC(=O)C2)CC1 ZINC000638565189 371112007 /nfs/dbraw/zinc/11/20/07/371112007.db2.gz NPMKLDQDWMMWHS-AWEZNQCLSA-N 2 0 267.417 1.367 10 0 CDAERP CC(C)OC[C@H](O)C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000573596006 371593441 /nfs/dbraw/zinc/59/34/41/371593441.db2.gz NWVCUZAFLWNKGS-HZPDHXFCSA-N 2 0 286.460 1.874 10 0 CDAERP C[C@@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH+](C)C1CC1 ZINC000377944728 371759369 /nfs/dbraw/zinc/75/93/69/371759369.db2.gz OJVCCMWKBOKGSL-LRDDRELGSA-N 2 0 299.434 1.798 10 0 CDAERP Cc1ccc2c(c1C)OC[C@H]2NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000575377207 371829370 /nfs/dbraw/zinc/82/93/70/371829370.db2.gz HZZWUNSZOLKSOQ-GDBMZVCRSA-N 2 0 290.407 1.782 10 0 CDAERP C[C@H](CCO)CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000453231082 371997002 /nfs/dbraw/zinc/99/70/02/371997002.db2.gz IJHKFOXZPMQTOW-YJNKXOJESA-N 2 0 254.418 1.857 10 0 CDAERP [NH3+]CC1(CNC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC1 ZINC000577940403 372178087 /nfs/dbraw/zinc/17/80/87/372178087.db2.gz KDBRSFNOVUNTBA-GOEBONIOSA-N 2 0 291.414 1.847 10 0 CDAERP C[C@H](CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)[N@H+](C)C1CC1 ZINC000174735910 372620719 /nfs/dbraw/zinc/62/07/19/372620719.db2.gz YYBOFCUIJWVDBT-HIFRSBDPSA-N 2 0 292.427 1.125 10 0 CDAERP Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000581141853 372851108 /nfs/dbraw/zinc/85/11/08/372851108.db2.gz FINGUDVVYPMMBK-UONOGXRCSA-N 2 0 264.417 1.829 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000340995844 373151234 /nfs/dbraw/zinc/15/12/34/373151234.db2.gz WXSGDIWGAHSFAY-JKSUJKDBSA-N 2 0 293.455 1.948 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CN1CCN(C[C@@H]2CCC=CO2)CC1 ZINC000191075952 373442523 /nfs/dbraw/zinc/44/25/23/373442523.db2.gz IKHHBTBSVBSABV-SJORKVTESA-N 2 0 293.455 1.781 10 0 CDAERP CC(C)[NH2+]CCN1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000191459144 373493449 /nfs/dbraw/zinc/49/34/49/373493449.db2.gz XXLKQVQIFXJYOM-AWEZNQCLSA-N 2 0 269.433 1.170 10 0 CDAERP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000333731085 205644564 /nfs/dbraw/zinc/64/45/64/205644564.db2.gz WEHJBOZEDJEFNH-DOMZBBRYSA-N 2 0 294.443 1.301 10 0 CDAERP Cc1nccn1C[C@H]1CCC[N@@H+]1C[C@](C)(O)C(F)(F)F ZINC000253396727 373686695 /nfs/dbraw/zinc/68/66/95/373686695.db2.gz NVPKGDYAFLFJOB-NEPJUHHUSA-N 2 0 291.317 1.969 10 0 CDAERP C[C@@H](CC[NH3+])NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000418516099 374400341 /nfs/dbraw/zinc/40/03/41/374400341.db2.gz CHFVYXPHUAGYLP-UONOGXRCSA-N 2 0 282.432 1.384 10 0 CDAERP CC[C@H]([NH3+])CNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000418697571 374482635 /nfs/dbraw/zinc/48/26/35/374482635.db2.gz LXCFLSRJGKLPOB-AGIUHOORSA-N 2 0 270.421 1.095 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCF ZINC001661925743 1172468269 /nfs/dbraw/zinc/46/82/69/1172468269.db2.gz MIFQZHWUAVXHPI-GJZGRUSLSA-N 2 0 299.434 1.801 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000126655107 375014365 /nfs/dbraw/zinc/01/43/65/375014365.db2.gz IDIHCIQRGRBLLH-BFHYXJOUSA-N 2 0 296.459 1.641 10 0 CDAERP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000417144424 375728998 /nfs/dbraw/zinc/72/89/98/375728998.db2.gz VONQQRHSPGZMAR-LXTVHRRPSA-N 2 0 292.427 1.007 10 0 CDAERP CC1CC[NH+](CC(=O)N2CCC([NH+]3CCCC3)CC2)CC1 ZINC000136258155 375760433 /nfs/dbraw/zinc/76/04/33/375760433.db2.gz AKCWKGWGBCJRNA-UHFFFAOYSA-N 2 0 293.455 1.805 10 0 CDAERP C[N@H+]1C[C@@H]2C[NH+](C[C@@H](O)COCc3cccs3)C[C@@H]2C1 ZINC000193644896 375887573 /nfs/dbraw/zinc/88/75/73/375887573.db2.gz YONRSJRFFONPEC-HZSPNIEDSA-N 2 0 296.436 1.119 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@H]1CN1C[C@@H](C)[NH+](CCO)C[C@H]1C ZINC000419330032 376126409 /nfs/dbraw/zinc/12/64/09/376126409.db2.gz FYBWDZAVAMCYST-ZACQAIPSSA-N 2 0 297.487 1.636 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)CC[C@H]2CCC[NH2+]2)CC1 ZINC000638975570 376328545 /nfs/dbraw/zinc/32/85/45/376328545.db2.gz LONIMEQQQJRQHV-CQSZACIVSA-N 2 0 281.444 1.851 10 0 CDAERP CO[C@@H]1CC[C@@H]2OCC[N@H+](CC[C@@H]3CCC[NH2+]C3)[C@H]2C1 ZINC000420377568 376342293 /nfs/dbraw/zinc/34/22/93/376342293.db2.gz SNSGVUJGQFVFOC-FZKCQIBNSA-N 2 0 282.428 1.644 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)NCC2([NH3+])CCCCCC2)CC[N@@H+]1C ZINC000334603515 376478434 /nfs/dbraw/zinc/47/84/34/376478434.db2.gz LQKLAJNOHIDAHK-ZIAGYGMSSA-N 2 0 296.459 1.820 10 0 CDAERP Cn1c2cc(CN3CC[C@@](C)(C[NH3+])C3)ccc2oc1=O ZINC000631825949 376655299 /nfs/dbraw/zinc/65/52/99/376655299.db2.gz ZDTXVZOIYDSART-HNNXBMFYSA-N 2 0 275.352 1.302 10 0 CDAERP C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2)C[C@H]1C[NH3+] ZINC000631839231 376685706 /nfs/dbraw/zinc/68/57/06/376685706.db2.gz CDFGZVRKVKIQCU-CHWSQXEVSA-N 2 0 261.369 1.542 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)C1 ZINC000246471442 376867237 /nfs/dbraw/zinc/86/72/37/376867237.db2.gz VJMJVSYTZBJBTN-LSDHHAIUSA-N 2 0 292.427 1.126 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247508670 377137376 /nfs/dbraw/zinc/13/73/76/377137376.db2.gz YEURZHDJFZPSNB-RBSFLKMASA-N 2 0 298.475 1.745 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000417444725 377152681 /nfs/dbraw/zinc/15/26/81/377152681.db2.gz DLPPTVBRBDJQCQ-HOCLYGCPSA-N 2 0 296.459 1.502 10 0 CDAERP C[C@H]([NH3+])CCC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000193296410 378286606 /nfs/dbraw/zinc/28/66/06/378286606.db2.gz MPXAKCFYJZOIIU-LBPRGKRZSA-N 2 0 267.417 1.637 10 0 CDAERP C[NH+](C)CCC[C@H]1CN(C[C@H]2CCC[NH2+]C2)CCO1 ZINC000662327273 412900446 /nfs/dbraw/zinc/90/04/46/412900446.db2.gz LWNOUMKJMPUUNZ-GJZGRUSLSA-N 2 0 269.433 1.029 10 0 CDAERP CC(C)n1cc(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)nn1 ZINC000657573492 412903759 /nfs/dbraw/zinc/90/37/59/412903759.db2.gz OHUPCBYGCAMLLF-AWEZNQCLSA-N 2 0 296.463 1.221 10 0 CDAERP CC[N@@H+]1CCCN(C(=O)NCC[NH+]2CCCC[C@@H]2C)CC1 ZINC000071850038 379663041 /nfs/dbraw/zinc/66/30/41/379663041.db2.gz HHBGMXMXWGAFMK-HNNXBMFYSA-N 2 0 296.459 1.598 10 0 CDAERP CC[C@@H]([NH2+]C)C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000662357007 412918017 /nfs/dbraw/zinc/91/80/17/412918017.db2.gz XMUOOBKHUABPHA-ZIAGYGMSSA-N 2 0 263.385 1.404 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655926132 412943729 /nfs/dbraw/zinc/94/37/29/412943729.db2.gz CEHNWPMFUGGGHX-ZJUUUORDSA-N 2 0 298.353 1.296 10 0 CDAERP C[C@H](CCCO)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000453276750 252293386 /nfs/dbraw/zinc/29/33/86/252293386.db2.gz MZOILDROPKVLIF-LXTVHRRPSA-N 2 0 254.418 1.857 10 0 CDAERP COCCN1CCC[C@H]1C[NH2+][C@H](C)CCCC[NH3+] ZINC000422700239 285039401 /nfs/dbraw/zinc/03/94/01/285039401.db2.gz GCMNMNGLDLMPER-KGLIPLIRSA-N 2 0 257.422 1.204 10 0 CDAERP O[C@@H]1C[C@H]([NH2+]Cc2cccc3nccn32)C12CCC2 ZINC000657708176 412992387 /nfs/dbraw/zinc/99/23/87/412992387.db2.gz XVVHOGJJBPPIRO-QWHCGFSZSA-N 2 0 257.337 1.727 10 0 CDAERP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H](C)[NH+]1C ZINC000513177022 254114818 /nfs/dbraw/zinc/11/48/18/254114818.db2.gz IAVWBPRSIOYHEG-FQUUOJAGSA-N 2 0 267.417 1.268 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417580143 285203376 /nfs/dbraw/zinc/20/33/76/285203376.db2.gz CNHBYERGMJYAIM-LSDHHAIUSA-N 2 0 294.443 1.397 10 0 CDAERP CCCC[C@@H](C[NH3+])NC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662428964 413010253 /nfs/dbraw/zinc/01/02/53/413010253.db2.gz MCKRREXLNKYQGB-DZGCQCFKSA-N 2 0 275.396 1.855 10 0 CDAERP COC[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)OC ZINC000660257250 413020952 /nfs/dbraw/zinc/02/09/52/413020952.db2.gz QTJSBRCBDWEKQV-LZWOXQAQSA-N 2 0 284.444 1.890 10 0 CDAERP C[C@H]([NH3+])c1csc(N2CCC(C[NH+](C)C)CC2)n1 ZINC000080805571 177710349 /nfs/dbraw/zinc/71/03/49/177710349.db2.gz SZLJZYFILNFFLV-JTQLQIEISA-N 2 0 268.430 1.941 10 0 CDAERP C[C@H]([NH3+])[C@H](C)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000398237620 390248312 /nfs/dbraw/zinc/24/83/12/390248312.db2.gz ZMSQCTQZELLSDN-ORIJERBGSA-N 2 0 261.413 1.975 10 0 CDAERP C[C@H](CC(=O)N[C@@H]1CC[NH2+]C12CCCC2)[C@H]1CCC[NH2+]C1 ZINC000648205940 390951746 /nfs/dbraw/zinc/95/17/46/390951746.db2.gz PIJNCMAYBTVHOS-QLFBSQMISA-N 2 0 293.455 1.803 10 0 CDAERP O=C(N[C@H]1CC[NH2+]C12CCCC2)[C@H]1C[NH2+]CCC1(F)F ZINC000648210496 390953070 /nfs/dbraw/zinc/95/30/70/390953070.db2.gz SYYIKFRFDCEXNR-MNOVXSKESA-N 2 0 287.354 1.022 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000417746553 391013002 /nfs/dbraw/zinc/01/30/02/391013002.db2.gz HCIAIYSAQNZIDF-UHFFFAOYSA-N 2 0 296.459 1.502 10 0 CDAERP OCc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1F ZINC000647548895 390991670 /nfs/dbraw/zinc/99/16/70/390991670.db2.gz ZXXRHIAXPFTEKV-AEGPPILISA-N 2 0 278.371 1.796 10 0 CDAERP COc1ccc(CCN[C@@H]2C[NH2+]C[C@H](C)C2)cc1F ZINC000647549039 390992334 /nfs/dbraw/zinc/99/23/34/390992334.db2.gz GHNSXKWJVVAXRB-YPMHNXCESA-N 2 0 266.360 1.964 10 0 CDAERP CC[C@H]1C[C@H]([NH2+]CCCC[NH+]2CCOCC2)CCO1 ZINC000648424457 391167399 /nfs/dbraw/zinc/16/73/99/391167399.db2.gz ZHJYSJHTHVXSGY-CABCVRRESA-N 2 0 270.417 1.646 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCNC[C@H]2c2cccnc2)C1 ZINC000376570159 391241541 /nfs/dbraw/zinc/24/15/41/391241541.db2.gz JPSQTRPKJGBWHS-YUELXQCFSA-N 2 0 288.395 1.072 10 0 CDAERP C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)[C@@H]1CCC[NH2+]C1 ZINC000647903035 391199646 /nfs/dbraw/zinc/19/96/46/391199646.db2.gz FEWDQXMJRGNBSS-JYJNAYRXSA-N 3 0 265.445 1.840 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000418345165 391350581 /nfs/dbraw/zinc/35/05/81/391350581.db2.gz LDVSISDUBPCXOP-HNNXBMFYSA-N 2 0 296.459 1.359 10 0 CDAERP CN(C)c1cc[nH+]cc1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000647705943 391440217 /nfs/dbraw/zinc/44/02/17/391440217.db2.gz WQURZOTUVOLYRA-LLVKDONJSA-N 2 0 262.357 1.020 10 0 CDAERP CCc1nccn1[C@@H](C)CC(=O)N1CC[NH2+]C[C@H]1C ZINC000647711550 391463403 /nfs/dbraw/zinc/46/34/03/391463403.db2.gz FIZIOLVDGICQLN-NWDGAFQWSA-N 2 0 264.373 1.217 10 0 CDAERP CS[C@H]1CC[C@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000425350993 391475553 /nfs/dbraw/zinc/47/55/53/391475553.db2.gz LVOHNWHAPWZPLW-OLZOCXBDSA-N 2 0 257.447 1.108 10 0 CDAERP C[NH+](CCCO)Cc1ccc(C[N@H+](C)CCCO)cc1 ZINC000281867125 391416241 /nfs/dbraw/zinc/41/62/41/391416241.db2.gz OPSAWHUCRDJOHE-UHFFFAOYSA-N 2 0 280.412 1.315 10 0 CDAERP C(CC1CC[NH2+]CC1)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000647987673 391637965 /nfs/dbraw/zinc/63/79/65/391637965.db2.gz PNPKKROLKUNBHT-MRXNPFEDSA-N 3 0 265.445 1.842 10 0 CDAERP CC[C@@H]1C[C@@H](C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)CCO1 ZINC000349802293 391578427 /nfs/dbraw/zinc/57/84/27/391578427.db2.gz NJGZRYCAXNNLFG-YESZJQIVSA-N 2 0 297.487 1.807 10 0 CDAERP COC[C@H](C)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000527365824 391654881 /nfs/dbraw/zinc/65/48/81/391654881.db2.gz BHXQBFVLFNKYOL-KBUPBQIOSA-N 2 0 270.417 1.452 10 0 CDAERP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCO1 ZINC000647799555 391661820 /nfs/dbraw/zinc/66/18/20/391661820.db2.gz KGRDFHSSUYDBSA-VQJWOFKYSA-N 2 0 252.402 1.922 10 0 CDAERP C[C@H]1C[C@@H](C[NH2+]C2CCC([NH+]3CCNCC3)CC2)CC[NH2+]1 ZINC000415053869 391738316 /nfs/dbraw/zinc/73/83/16/391738316.db2.gz MZEMZGWCTNHUOP-JUVOFCAFSA-N 3 0 294.487 1.181 10 0 CDAERP C[C@H](CCCC[NH3+])NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000418125696 391752940 /nfs/dbraw/zinc/75/29/40/391752940.db2.gz JWWSNRSMXLWVRK-WLYUNCDWSA-N 2 0 296.459 1.820 10 0 CDAERP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418195189 391803421 /nfs/dbraw/zinc/80/34/21/391803421.db2.gz FQRYEOKGUNOZFT-RDGKXADDSA-N 2 0 296.459 1.640 10 0 CDAERP C[NH+]1CCC2(CC1)C[N@H+](C[C@@H](O)C1CCCCC1)CCO2 ZINC000646106370 392015151 /nfs/dbraw/zinc/01/51/51/392015151.db2.gz WIEMOAFNXPMHPK-MRXNPFEDSA-N 2 0 296.455 1.724 10 0 CDAERP CC[NH+](CC)CC[C@H](CO)Nc1ccnc(C)n1 ZINC000439113830 392013399 /nfs/dbraw/zinc/01/33/99/392013399.db2.gz ANJFARSQPLIHQU-GFCCVEGCSA-N 2 0 252.362 1.290 10 0 CDAERP O=C(c1ccc2c[nH+]cn2c1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000335066444 392033524 /nfs/dbraw/zinc/03/35/24/392033524.db2.gz AXUGBFCGOCCJSW-BBRMVZONSA-N 2 0 298.390 1.939 10 0 CDAERP C[N@H+](CCC[C@H]1CCOC1)CCCN1CC[NH+](C)CC1 ZINC000645842107 392254830 /nfs/dbraw/zinc/25/48/30/392254830.db2.gz NIQKWUNZECIWPC-INIZCTEOSA-N 2 0 283.460 1.372 10 0 CDAERP Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000423018954 392277580 /nfs/dbraw/zinc/27/75/80/392277580.db2.gz SPJLKAPARPKHHK-DZGCQCFKSA-N 2 0 264.417 1.687 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCc1ccc(F)c(F)c1F ZINC000423033324 392289767 /nfs/dbraw/zinc/28/97/67/392289767.db2.gz OHQHWCMCBDYLRA-LLVKDONJSA-N 2 0 290.329 1.990 10 0 CDAERP C[NH+](C)CC1(C[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)CCCC1 ZINC000423037889 392293708 /nfs/dbraw/zinc/29/37/08/392293708.db2.gz NKCJBNWPDSMOSS-CVEARBPZSA-N 2 0 295.471 1.465 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1N(C)CCCC1(C)C ZINC000423090901 392335433 /nfs/dbraw/zinc/33/54/33/392335433.db2.gz YUAVWHAHOIHXHX-UONOGXRCSA-N 2 0 271.449 1.450 10 0 CDAERP C[C@@H](NC1CC([NH+]2CCCCC2)C1)[C@H]1CCC[NH2+]1 ZINC000423092201 392336694 /nfs/dbraw/zinc/33/66/94/392336694.db2.gz AXLURCUFHYNSMX-XSCHDIRWSA-N 2 0 251.418 1.733 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000423098153 392341274 /nfs/dbraw/zinc/34/12/74/392341274.db2.gz CFKXQFLFFVXYKN-WDEREUQCSA-N 2 0 271.311 1.900 10 0 CDAERP CN(C(=O)N[C@H]1CC[NH2+]C12CCC2)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000529362788 392362642 /nfs/dbraw/zinc/36/26/42/392362642.db2.gz UKOJCNXSIPODKK-KGLIPLIRSA-N 2 0 292.427 1.149 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000629529843 392386662 /nfs/dbraw/zinc/38/66/62/392386662.db2.gz OHIJGOJDLWXTTE-AWEZNQCLSA-N 2 0 282.359 1.865 10 0 CDAERP CC(C)[NH+](CCNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)C(C)C ZINC000659425806 413052658 /nfs/dbraw/zinc/05/26/58/413052658.db2.gz QWVWXEMYZBWCPV-CHWSQXEVSA-N 2 0 288.411 1.186 10 0 CDAERP CC[C@@H](NCc1ccc2c[nH+]cn2c1)[C@@H]1CCC[NH2+]1 ZINC000423172215 392412952 /nfs/dbraw/zinc/41/29/52/392412952.db2.gz RURCPOHHBHNCPU-CABCVRRESA-N 2 0 258.369 1.955 10 0 CDAERP [NH3+][C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000423231949 392459004 /nfs/dbraw/zinc/45/90/04/392459004.db2.gz BKDFPAJFHSUIBT-ARFHVFGLSA-N 2 0 259.397 1.903 10 0 CDAERP CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H](CCC[NH3+])COC ZINC000423165438 392404681 /nfs/dbraw/zinc/40/46/81/392404681.db2.gz QAMIKZWQPXOQPT-BFHYXJOUSA-N 2 0 258.406 1.678 10 0 CDAERP C[C@H](Cc1ccccc1)[NH+]1CCC(NCC2C[NH2+]C2)CC1 ZINC000423328805 392518007 /nfs/dbraw/zinc/51/80/07/392518007.db2.gz SJWBJOQQXYBEPW-OAHLLOKOSA-N 2 0 287.451 1.891 10 0 CDAERP CC[C@@H](Cn1cncn1)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423338882 392526412 /nfs/dbraw/zinc/52/64/12/392526412.db2.gz KZNSIDHPXMZINX-STQMWFEESA-N 2 0 251.378 1.036 10 0 CDAERP CC[N@@H+]1CC[C@H](C[NH2+][C@H](COC)CC2CCOCC2)C1 ZINC000657841246 413053236 /nfs/dbraw/zinc/05/32/36/413053236.db2.gz OKCBGPWIALTWJW-CVEARBPZSA-N 2 0 284.444 1.750 10 0 CDAERP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CCC[NH3+] ZINC000437794662 392492018 /nfs/dbraw/zinc/49/20/18/392492018.db2.gz FDIOPJCHVOBKSN-SNVBAGLBSA-N 2 0 253.321 1.481 10 0 CDAERP C[C@@H]1C[C@@H](N[C@H]2C[NH2+]CCC2(F)F)C[N@@H+]1C1CC1 ZINC000423464538 392577379 /nfs/dbraw/zinc/57/73/79/392577379.db2.gz BLMRSLUPJZMWTH-FOGDFJRCSA-N 2 0 259.344 1.198 10 0 CDAERP CC[NH+](CC)Cc1ccc(C(=O)NCC[C@@H](C)[NH3+])o1 ZINC000646677340 392645178 /nfs/dbraw/zinc/64/51/78/392645178.db2.gz ZJRXPHAZWWMODQ-LLVKDONJSA-N 2 0 267.373 1.589 10 0 CDAERP C[C@@H]1CCC[C@H](C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1 ZINC000517089018 392833751 /nfs/dbraw/zinc/83/37/51/392833751.db2.gz HESLDDKCYWPLJC-PMPSAXMXSA-N 2 0 283.460 1.011 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)[C@H]1C ZINC000494980488 393146873 /nfs/dbraw/zinc/14/68/73/393146873.db2.gz ZNNZJEMQZMQFDB-RDBSUJKOSA-N 2 0 253.434 1.647 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@@H](O)COc2ccccc2F)C1 ZINC000656153632 413061681 /nfs/dbraw/zinc/06/16/81/413061681.db2.gz YSMACQOCDXTIJC-HZSPNIEDSA-N 2 0 296.386 1.495 10 0 CDAERP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCCSCC2)C1 ZINC000657870425 413063869 /nfs/dbraw/zinc/06/38/69/413063869.db2.gz DKXNNPVHSBJPHC-UONOGXRCSA-N 2 0 299.484 1.449 10 0 CDAERP Cc1nccn1CCCC[N@H+]1CCCN(C)C(=O)C1 ZINC000191082992 140133774 /nfs/dbraw/zinc/13/37/74/140133774.db2.gz DDIIMLFNQHTHQC-UHFFFAOYSA-N 2 0 264.373 1.136 10 0 CDAERP C[C@@H](CCC[NH3+])NC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662567882 413134691 /nfs/dbraw/zinc/13/46/91/413134691.db2.gz IEBGDXDPFUKGAU-WFASDCNBSA-N 2 0 289.423 1.922 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC000656268553 413150946 /nfs/dbraw/zinc/15/09/46/413150946.db2.gz FJWZNYFYMQANIY-MQYQWHSLSA-N 2 0 288.457 1.272 10 0 CDAERP COCC1(C[N@@H+]2CCC[C@H](N3CCOCC3)CC2)CCC1 ZINC000660474685 413152801 /nfs/dbraw/zinc/15/28/01/413152801.db2.gz LFCHAWMELDCOEO-INIZCTEOSA-N 2 0 296.455 1.990 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000662589743 413157803 /nfs/dbraw/zinc/15/78/03/413157803.db2.gz DAEYJGHTYMGQTQ-CHWSQXEVSA-N 2 0 267.417 1.223 10 0 CDAERP CC[NH+]1CCC([NH2+]Cc2ccc(CNC(C)=O)cc2)CC1 ZINC000658071150 413170536 /nfs/dbraw/zinc/17/05/36/413170536.db2.gz CEUYRIMFDMBSCM-UHFFFAOYSA-N 2 0 289.423 1.897 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CCCOCC1 ZINC000658105916 413204129 /nfs/dbraw/zinc/20/41/29/413204129.db2.gz FQJXCROXHIQOJO-LSDHHAIUSA-N 2 0 271.449 1.417 10 0 CDAERP C[C@H](C[NH3+])N(C)Cc1ccc2c(c1)sc(=O)n2C ZINC000262022146 149002819 /nfs/dbraw/zinc/00/28/19/149002819.db2.gz WHLRMIHQHNPATE-SECBINFHSA-N 2 0 265.382 1.379 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000334913905 150071661 /nfs/dbraw/zinc/07/16/61/150071661.db2.gz ZDYNWOOBHUMLPZ-STQMWFEESA-N 2 0 282.432 1.382 10 0 CDAERP COC(C)(C)CC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000346209143 153098469 /nfs/dbraw/zinc/09/84/69/153098469.db2.gz BQRIWKONLLOUQL-UHFFFAOYSA-N 2 0 297.443 1.042 10 0 CDAERP C/C=C\C[C@@H](CO)[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000349853757 154241138 /nfs/dbraw/zinc/24/11/38/154241138.db2.gz SWUHUQFAYPVFFI-JZIMQPMSSA-N 2 0 286.379 1.992 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](O)C23CCC3)[C@H](C)C1 ZINC000658249789 413312750 /nfs/dbraw/zinc/31/27/50/413312750.db2.gz BZGYDAULDQJLQK-XJFOESAGSA-N 2 0 252.402 1.610 10 0 CDAERP CC[N@@H+]1CC[C@@H](CNCc2ccnn2C(C)C)C1 ZINC000353913602 156158770 /nfs/dbraw/zinc/15/87/70/156158770.db2.gz JSKRBRZVHAPHIE-ZDUSSCGKSA-N 2 0 250.390 1.895 10 0 CDAERP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000662694987 413328849 /nfs/dbraw/zinc/32/88/49/413328849.db2.gz VJBUWLSELAMFBO-ZIAGYGMSSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)c1cccc2c1C[NH2+]C2 ZINC000662733072 413401231 /nfs/dbraw/zinc/40/12/31/413401231.db2.gz QNTRACCGHOOOGZ-CQSZACIVSA-N 2 0 261.369 1.393 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000662732349 413401372 /nfs/dbraw/zinc/40/13/72/413401372.db2.gz RZYKOADFWLMLLD-UONOGXRCSA-N 2 0 269.433 1.741 10 0 CDAERP [NH3+]C1(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)CC2(CCC2)C1 ZINC000662761984 413454025 /nfs/dbraw/zinc/45/40/25/413454025.db2.gz REUVHJXRFSIUHT-ZIAGYGMSSA-N 2 0 291.439 1.639 10 0 CDAERP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000662255268 411634549 /nfs/dbraw/zinc/63/45/49/411634549.db2.gz CQKAQELHXITKCC-LSDHHAIUSA-N 2 0 280.412 1.400 10 0 CDAERP CC(C)[NH+]1CCC(C[NH3+])(N2CCSCC2)CC1 ZINC000020257114 171111625 /nfs/dbraw/zinc/11/16/25/171111625.db2.gz OQVLWGICGHQNPV-UHFFFAOYSA-N 2 0 257.447 1.237 10 0 CDAERP [NH3+]C1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000020596096 171264854 /nfs/dbraw/zinc/26/48/54/171264854.db2.gz ROXMSYPWYIEHAR-MRXNPFEDSA-N 2 0 259.397 1.684 10 0 CDAERP CN(C(=O)COc1ccccc1C[NH3+])C1CC[NH+](C)CC1 ZINC000022167941 171366491 /nfs/dbraw/zinc/36/64/91/171366491.db2.gz VOSZFKWUGUTQQE-UHFFFAOYSA-N 2 0 291.395 1.077 10 0 CDAERP CCC[NH+]1CCN([C@H](C[NH3+])C2CCCCC2)CC1 ZINC000022219800 171377150 /nfs/dbraw/zinc/37/71/50/171377150.db2.gz YPHSGCHHFAROHH-OAHLLOKOSA-N 2 0 253.434 1.922 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000653176375 412116567 /nfs/dbraw/zinc/11/65/67/412116567.db2.gz RTRZBXKTORRRKA-ZFWWWQNUSA-N 2 0 267.417 1.080 10 0 CDAERP [NH3+]CC1(CCNC(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000653221496 412147688 /nfs/dbraw/zinc/14/76/88/412147688.db2.gz ZFXZBQDYZYXZPO-ZDUSSCGKSA-N 2 0 261.369 1.322 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)[C@H]1C ZINC000311043147 413484572 /nfs/dbraw/zinc/48/45/72/413484572.db2.gz FHXHNBLWOOCQLU-RDBSUJKOSA-N 2 0 253.434 1.647 10 0 CDAERP C[NH+](C)[C@@H]1CCCN(C(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000662794176 413513006 /nfs/dbraw/zinc/51/30/06/413513006.db2.gz PHKXUPJXRZLZJY-CQSZACIVSA-N 2 0 279.428 1.604 10 0 CDAERP CN(CC[N@H+](C)C1CC1)C(=O)C1([NH2+]C2CC2)CCC1 ZINC000662803352 413521532 /nfs/dbraw/zinc/52/15/32/413521532.db2.gz WYCILUYSNIYIFS-UHFFFAOYSA-N 2 0 265.401 1.214 10 0 CDAERP CCO[C@@H]1C[N@H+](CCc2ccc(OC)cc2)C[C@H]1C[NH3+] ZINC000405290827 413546407 /nfs/dbraw/zinc/54/64/07/413546407.db2.gz HEEQILIDCFKTNP-GDBMZVCRSA-N 2 0 278.396 1.533 10 0 CDAERP [NH3+]Cc1cccc(OCCC[NH+]2CCSCC2)c1 ZINC000035725288 172380300 /nfs/dbraw/zinc/38/03/00/172380300.db2.gz OZRRFAIPJXPMDM-UHFFFAOYSA-N 2 0 266.410 1.963 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CC[NH+]2C(C)(C)C)CC[N@@H+]1C ZINC000660859236 413587386 /nfs/dbraw/zinc/58/73/86/413587386.db2.gz XVOVSEUCEDIJRL-HZSPNIEDSA-N 2 0 296.459 1.641 10 0 CDAERP CC[N@H+](C)C[C@H](O)C[NH2+]CC[C@]1(C)CC1(F)F ZINC000656716312 413595155 /nfs/dbraw/zinc/59/51/55/413595155.db2.gz ULBPVQVTZRSJBP-GHMZBOCLSA-N 2 0 250.333 1.324 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000659460063 413846728 /nfs/dbraw/zinc/84/67/28/413846728.db2.gz KAENPONDHSZBJY-JHJVBQTASA-N 2 0 270.421 1.142 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1)[N@H+](C)C1CC1 ZINC000407400871 413952393 /nfs/dbraw/zinc/95/23/93/413952393.db2.gz DTYBTCUBEPBAOO-SWHYSGLUSA-N 2 0 265.401 1.116 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccn1 ZINC000665232382 413959813 /nfs/dbraw/zinc/95/98/13/413959813.db2.gz LZEGGOBEOYIXON-YQFWSFKMSA-N 2 0 289.423 1.932 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000665240554 413972823 /nfs/dbraw/zinc/97/28/23/413972823.db2.gz NJZGQJVAAHZHKS-BRWVUGGUSA-N 2 0 289.423 1.223 10 0 CDAERP COc1ccnc(C[NH2+][C@H](C)CCCC[NH3+])c1F ZINC000665266751 413997574 /nfs/dbraw/zinc/99/75/74/413997574.db2.gz IRBIQZUDXQWMFM-SNVBAGLBSA-N 2 0 255.337 1.836 10 0 CDAERP C[C@H]([NH2+][C@@H]1CN2CCC1CC2)C1CC[NH+](C)CC1 ZINC000037210050 173032208 /nfs/dbraw/zinc/03/22/08/173032208.db2.gz IKKPWWGRRQOEKU-SWLSCSKDSA-N 2 0 251.418 1.401 10 0 CDAERP CC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]CCCC(=O)OC)C1 ZINC000037415960 173192643 /nfs/dbraw/zinc/19/26/43/173192643.db2.gz VMLGHOCSVSNQGK-OLZOCXBDSA-N 2 0 256.390 1.650 10 0 CDAERP CC[C@H]1C[C@H]([NH2+]CCCC[NH+]2CCN(CC)CC2)CO1 ZINC000657307471 414158801 /nfs/dbraw/zinc/15/88/01/414158801.db2.gz GSBWNSCZMMAYFA-HOTGVXAUSA-N 2 0 283.460 1.561 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(-n3cncn3)cc2)C1 ZINC000655826947 414237610 /nfs/dbraw/zinc/23/76/10/414237610.db2.gz JHEZWGOUAMNMHH-FZNQNYSPSA-N 2 0 285.395 1.697 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655803290 414196073 /nfs/dbraw/zinc/19/60/73/414196073.db2.gz XQLADPAKJNSODJ-NQNKBUKLSA-N 2 0 295.471 1.701 10 0 CDAERP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655807398 414204624 /nfs/dbraw/zinc/20/46/24/414204624.db2.gz LFEBGBAAGUXRIJ-MELADBBJSA-N 2 0 269.433 1.563 10 0 CDAERP C[NH+]1CCC(C)(C[NH2+]Cc2cn(C3CCC3)nn2)CC1 ZINC000657430874 414324990 /nfs/dbraw/zinc/32/49/90/414324990.db2.gz UCJLSESEQMQLRN-UHFFFAOYSA-N 2 0 277.416 1.825 10 0 CDAERP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C1CCC(F)CC1 ZINC000662000229 414466895 /nfs/dbraw/zinc/46/68/95/414466895.db2.gz KPMUXWXMXOTTCD-VXGQWTEUSA-N 2 0 272.408 1.950 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000661841739 414401903 /nfs/dbraw/zinc/40/19/03/414401903.db2.gz SKIMRTHKQLVIRQ-RDBSUJKOSA-N 2 0 252.402 1.754 10 0 CDAERP C[N@H+](CC(=O)N1CC[NH2+]CC1)[C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000038031020 174022878 /nfs/dbraw/zinc/02/28/78/174022878.db2.gz HXVMRUQVQSDHFB-LSDHHAIUSA-N 2 0 295.471 1.955 10 0 CDAERP CC[NH+]1CCC(N[C@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000038098107 174113303 /nfs/dbraw/zinc/11/33/03/174113303.db2.gz WJRYEDOQDYWCOJ-GUTXKFCHSA-N 2 0 253.434 1.789 10 0 CDAERP CCOC1CC(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000662321848 414640009 /nfs/dbraw/zinc/64/00/09/414640009.db2.gz FAGWHYYZNVHTTC-HWOWSKLDSA-N 2 0 284.444 1.844 10 0 CDAERP [NH3+]CCCCCCC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000038101746 174117802 /nfs/dbraw/zinc/11/78/02/174117802.db2.gz QYOXFCKZYYRWIB-UHFFFAOYSA-N 2 0 281.444 1.982 10 0 CDAERP C[C@H]([NH2+]CCc1nccn1C)C1CC[NH+](C)CC1 ZINC000040639023 174362991 /nfs/dbraw/zinc/36/29/91/174362991.db2.gz BIMGOZGTOZUMJS-LBPRGKRZSA-N 2 0 250.390 1.283 10 0 CDAERP NC(=O)COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1 ZINC000040749299 174394093 /nfs/dbraw/zinc/39/40/93/174394093.db2.gz OOEVMNOJAHPOCY-AGUYFDCRSA-N 2 0 289.379 1.005 10 0 CDAERP CC(C)N1C[C@H]2CCC[C@@H](C1)C2[NH2+]CCCC[NH3+] ZINC000040769274 174399422 /nfs/dbraw/zinc/39/94/22/174399422.db2.gz QXGNYOZHHVNBIT-YIONKMFJSA-N 2 0 253.434 1.824 10 0 CDAERP CCC[N@H+](CCO)Cc1ccc(C(N)=[NH2+])cc1F ZINC000042452856 174745524 /nfs/dbraw/zinc/74/55/24/174745524.db2.gz QZVQUVSDTXVEKM-UHFFFAOYSA-N 2 0 253.321 1.314 10 0 CDAERP CC[C@H]([NH3+])[C@@H](c1ccccn1)N1CCC[N@H+](C)CC1 ZINC000043338993 175013033 /nfs/dbraw/zinc/01/30/33/175013033.db2.gz HFOXYEVTTIKJOO-ZFWWWQNUSA-N 2 0 262.401 1.498 10 0 CDAERP CC(C)[NH+]1CCN([C@H](c2ccccn2)[C@H](C)[NH3+])CC1 ZINC000043339416 175013898 /nfs/dbraw/zinc/01/38/98/175013898.db2.gz CNHBHSACAFKCEE-ZFWWWQNUSA-N 2 0 262.401 1.496 10 0 CDAERP CC[C@@H]([NH3+])[C@H](c1cccnc1)N(C)C1CC[NH+](C)CC1 ZINC000043345698 175016684 /nfs/dbraw/zinc/01/66/84/175016684.db2.gz VCVNRFFRUCBMTC-CVEARBPZSA-N 2 0 276.428 1.886 10 0 CDAERP C[C@H]([NH3+])[C@@H](c1ccncc1)N(C)C1CC[NH+](C)CC1 ZINC000043353023 175020099 /nfs/dbraw/zinc/02/00/99/175020099.db2.gz YOJGIDAMIYQBAD-WFASDCNBSA-N 2 0 262.401 1.496 10 0 CDAERP C[C@@H]([NH3+])[C@@H](c1ccncc1)N(C)C1CC[NH+](C)CC1 ZINC000043353024 175020156 /nfs/dbraw/zinc/02/01/56/175020156.db2.gz YOJGIDAMIYQBAD-DOMZBBRYSA-N 2 0 262.401 1.496 10 0 CDAERP C[C@@H]([NH3+])[C@H](c1ccncc1)N1CC[NH+](CC2CC2)CC1 ZINC000043354234 175021229 /nfs/dbraw/zinc/02/12/29/175021229.db2.gz YBXMZSBAGKVLJZ-CZUORRHYSA-N 2 0 274.412 1.498 10 0 CDAERP CC[NH+]1CCC(N(C)[C@@H](c2ccncc2)[C@@H](C)[NH3+])CC1 ZINC000043354751 175022170 /nfs/dbraw/zinc/02/21/70/175022170.db2.gz UEMGGQFOSZYFAK-CZUORRHYSA-N 2 0 276.428 1.886 10 0 CDAERP NC(=[NH2+])c1cc2c(nc1OCC[NH+]1CCCCC1)CCC2 ZINC000043407157 175037131 /nfs/dbraw/zinc/03/71/31/175037131.db2.gz MQISGXPEAPCXOP-UHFFFAOYSA-N 2 0 288.395 1.719 10 0 CDAERP CC[C@@H](C)NC(=O)[C@H](C)[N@H+](CCC[NH3+])CC(C)C ZINC000043417338 175038252 /nfs/dbraw/zinc/03/82/52/175038252.db2.gz ISIKKEIYDJJXFP-OLZOCXBDSA-N 2 0 257.422 1.596 10 0 CDAERP CN(C)C(=O)CCC[N@H+](C)Cc1cccc(C[NH3+])c1 ZINC000043448112 175048930 /nfs/dbraw/zinc/04/89/30/175048930.db2.gz WBYAXISSRBBNHX-UHFFFAOYSA-N 2 0 263.385 1.446 10 0 CDAERP C[C@@H](C(=O)N1CCC[NH2+]CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000043559467 175065912 /nfs/dbraw/zinc/06/59/12/175065912.db2.gz NRCLQYPDFYABSJ-XQQFMLRXSA-N 2 0 253.390 1.070 10 0 CDAERP CC[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1OC ZINC000043810721 175110206 /nfs/dbraw/zinc/11/02/06/175110206.db2.gz HAUUXKMYYVLQTJ-OAHLLOKOSA-N 2 0 277.412 1.593 10 0 CDAERP CC[NH2+][C@H]1c2ccccc2OC[C@@H]1N1CCC[N@H+](C)CC1 ZINC000043818447 175113102 /nfs/dbraw/zinc/11/31/02/175113102.db2.gz SYBBMYVTAWNQEI-RDJZCZTQSA-N 2 0 289.423 1.736 10 0 CDAERP CCC[NH2+][C@@H]1CCCC[C@H]1N1CCC[N@H+](C)CC1 ZINC000043818591 175113890 /nfs/dbraw/zinc/11/38/90/175113890.db2.gz HAFKGAOHOLYXNA-HUUCEWRRSA-N 2 0 253.434 1.935 10 0 CDAERP C[NH2+][C@H](C)CCN1CCC([NH+]2CCCCC2)CC1 ZINC000043907767 175123518 /nfs/dbraw/zinc/12/35/18/175123518.db2.gz WFPCYITTYIYYAV-CQSZACIVSA-N 2 0 253.434 1.935 10 0 CDAERP CCOC(=O)[C@@H](C)C[NH2+]CC1CC[NH+](CC)CC1 ZINC000044518510 175190834 /nfs/dbraw/zinc/19/08/34/175190834.db2.gz ANATVTROJMLDRL-LBPRGKRZSA-N 2 0 256.390 1.507 10 0 CDAERP CCC[NH2+]C1CCN(C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000044537345 175199542 /nfs/dbraw/zinc/19/95/42/175199542.db2.gz JIYMPDVHDSIDAX-AWEZNQCLSA-N 2 0 253.434 1.792 10 0 CDAERP CCC[NH2+]CC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000044651299 175224854 /nfs/dbraw/zinc/22/48/54/175224854.db2.gz NAVMGIBYZRLKGK-LLVKDONJSA-N 2 0 269.414 1.467 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)C(CC)(CC)C[NH3+])C1 ZINC000044763657 175247482 /nfs/dbraw/zinc/24/74/82/175247482.db2.gz VCYVMQYLIHJQEL-GFCCVEGCSA-N 2 0 255.406 1.352 10 0 CDAERP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H](C[NH3+])Cc1ccccc1 ZINC000044806571 175256326 /nfs/dbraw/zinc/25/63/26/175256326.db2.gz MSJKUMTZOQIPGJ-DZGCQCFKSA-N 2 0 277.412 1.260 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[C@@H](C)[NH2+]2)C1 ZINC000045137302 175314661 /nfs/dbraw/zinc/31/46/61/175314661.db2.gz HSJKETPTVOXYRI-RDBSUJKOSA-N 2 0 267.417 1.364 10 0 CDAERP CC[NH+]1CCC(N(C)CC[C@@](C)([NH2+]C(C)C)C(N)=O)CC1 ZINC000045278510 175348131 /nfs/dbraw/zinc/34/81/31/175348131.db2.gz SDUMESWKJKUTSB-MRXNPFEDSA-N 2 0 298.475 1.035 10 0 CDAERP CCCC[N@H+](C)CCCC[C@](C)([NH2+]CC)C(N)=O ZINC000045368240 175363234 /nfs/dbraw/zinc/36/32/34/175363234.db2.gz CBGFJFCLVCVFRK-AWEZNQCLSA-N 2 0 257.422 1.742 10 0 CDAERP CCC[NH2+][C@@](C)(CCC[NH+]1CCC(C)CC1)C(N)=O ZINC000045375000 175365267 /nfs/dbraw/zinc/36/52/67/175365267.db2.gz SDVWOZWCUUOOOS-HNNXBMFYSA-N 2 0 269.433 1.742 10 0 CDAERP CC[NH+](CC)CCCC[C@@](C)([NH2+]C1CC1)C(N)=O ZINC000045375882 175366518 /nfs/dbraw/zinc/36/65/18/175366518.db2.gz NXPVTZIAGMVBMA-CQSZACIVSA-N 2 0 255.406 1.495 10 0 CDAERP C[NH2+][C@@](C)(CCCC[N@H+]1[C@H](C)CCC[C@@H]1C)C(N)=O ZINC000045379600 175368720 /nfs/dbraw/zinc/36/87/20/175368720.db2.gz SICBIEWQNHMQAP-GUTXKFCHSA-N 2 0 269.433 1.883 10 0 CDAERP COC(=O)[C@@](C)([NH3+])CCCCN1CCC([NH+](C)C)CC1 ZINC000045392431 175375961 /nfs/dbraw/zinc/37/59/61/175375961.db2.gz DEJPYLNAZYBFGP-HNNXBMFYSA-N 2 0 285.432 1.073 10 0 CDAERP CCC[NH2+][C@](C)(CCCN1CC[NH+](C(C)C)CC1)C(N)=O ZINC000045393939 175376349 /nfs/dbraw/zinc/37/63/49/175376349.db2.gz XPUKVCMCVVLPAQ-MRXNPFEDSA-N 2 0 298.475 1.036 10 0 CDAERP CCC[NH2+][C@](C)(CCC[N@@H+]1CCOC[C@@H]1CC)C(N)=O ZINC000045419005 175377338 /nfs/dbraw/zinc/37/73/38/175377338.db2.gz KXYTZEWDJSGJCH-DZGCQCFKSA-N 2 0 285.432 1.121 10 0 CDAERP CCC[NH2+][C@](C)(CCC[N@H+](C)CC1CC1)C(N)=O ZINC000045419972 175377630 /nfs/dbraw/zinc/37/76/30/175377630.db2.gz CQVWRTHIEASQFJ-CQSZACIVSA-N 2 0 255.406 1.352 10 0 CDAERP C[C@H](O)C[NH+]1CCC(C[NH2+]CC2CCCC2)CC1 ZINC000069653306 175845305 /nfs/dbraw/zinc/84/53/05/175845305.db2.gz ZGZOSVNXWMRPHH-ZDUSSCGKSA-N 2 0 254.418 1.859 10 0 CDAERP CC[NH+](CC)CCC[C@@H](C)N1C[C@H](C[NH3+])CC1=O ZINC000070493109 175956064 /nfs/dbraw/zinc/95/60/64/175956064.db2.gz HCYPOGGCSUDYMB-OLZOCXBDSA-N 2 0 255.406 1.304 10 0 CDAERP CCC[NH+]1CCC(N2CC[C@H]([NH2+]C(C)C)C2=O)CC1 ZINC000071032021 176022855 /nfs/dbraw/zinc/02/28/55/176022855.db2.gz GWZFKEFGXPWUAU-AWEZNQCLSA-N 2 0 267.417 1.460 10 0 CDAERP CC[NH+](CC)C[C@H](C)N1CCC[C@H]([NH2+]C(C)C)C1=O ZINC000071034749 176024621 /nfs/dbraw/zinc/02/46/21/176024621.db2.gz DMGQYYRDUNRQBM-KBPBESRZSA-N 2 0 269.433 1.706 10 0 CDAERP CC[NH2+][C@H](CN(C)C[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC000071188917 176063772 /nfs/dbraw/zinc/06/37/72/176063772.db2.gz WMQJSDGCGMNVKX-ZIAGYGMSSA-N 2 0 255.450 1.894 10 0 CDAERP C[NH2+][C@H]1c2ccccc2C[C@@H]1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188845 176064052 /nfs/dbraw/zinc/06/40/52/176064052.db2.gz XCQIEBMGSNUYFO-COXVUDFISA-N 2 0 273.424 1.755 10 0 CDAERP CN(C[C@H]1CC[N@H+](C)C1)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000071189699 176065710 /nfs/dbraw/zinc/06/57/10/176065710.db2.gz DMVHIIDINNKLJJ-AJNGGQMLSA-N 2 0 279.428 1.317 10 0 CDAERP CC[NH2+]Cc1ccnc(N(C)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000071191710 176071440 /nfs/dbraw/zinc/07/14/40/176071440.db2.gz QVHOWHWWHNPGRP-CQSZACIVSA-N 2 0 262.401 1.579 10 0 CDAERP CCC[NH2+]C[C@@H](C(C)C)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192020 176071494 /nfs/dbraw/zinc/07/14/94/176071494.db2.gz YXYQFQCHSDRBLP-CABCVRRESA-N 2 0 255.450 1.894 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN1CCC[C@H]([NH2+]C(C)C)C1 ZINC000071197062 176076617 /nfs/dbraw/zinc/07/66/17/176076617.db2.gz GCEUIBHXKDVCAL-GJZGRUSLSA-N 2 0 253.434 1.933 10 0 CDAERP CCC[NH+]1CCC([C@H](C)[NH2+]C[C@@H](O)COC)CC1 ZINC000071266351 176099837 /nfs/dbraw/zinc/09/98/37/176099837.db2.gz LBAFDBTYBLQHHA-GXTWGEPZSA-N 2 0 258.406 1.094 10 0 CDAERP CC[NH+](CC)CCCNC(=O)CC[C@@H](C)CC[NH3+] ZINC000079078708 177429342 /nfs/dbraw/zinc/42/93/42/177429342.db2.gz PNIGJAHHKPARRE-CYBMUJFWSA-N 2 0 257.422 1.600 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000417174990 298988952 /nfs/dbraw/zinc/98/89/52/298988952.db2.gz IXSNNXVSBFVVOT-QWRGUYRKSA-N 2 0 270.421 1.284 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)NC(C)(C)C[NH3+])CC1 ZINC000417928024 227202693 /nfs/dbraw/zinc/20/26/93/227202693.db2.gz GRBAZZUBCDVDRK-UHFFFAOYSA-N 2 0 270.421 1.143 10 0 CDAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C[NH2+]CCC1CC1 ZINC001666620163 1173161801 /nfs/dbraw/zinc/16/18/01/1173161801.db2.gz MLXSMKKHQYNMKU-UONOGXRCSA-N 2 0 281.444 1.470 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000092629492 260271038 /nfs/dbraw/zinc/27/10/38/260271038.db2.gz AVYSXZZTJJWEKG-FZKCQIBNSA-N 2 0 293.455 1.850 10 0 CDAERP CCCCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001666691815 1173173848 /nfs/dbraw/zinc/17/38/48/1173173848.db2.gz RPIJRTUIJQPCCK-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)[C@H]([NH3+])CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000663502103 423897274 /nfs/dbraw/zinc/89/72/74/423897274.db2.gz FQVOTZXIKQOIRO-TUVASFSCSA-N 2 0 253.434 1.870 10 0 CDAERP COc1cccc(C[C@@H](C)NC(=O)[C@@H](N)CC[NH+](C)C)c1 ZINC000653090053 423918022 /nfs/dbraw/zinc/91/80/22/423918022.db2.gz CYBYXBBJBURZAD-DOMZBBRYSA-N 2 0 293.411 1.021 10 0 CDAERP CC[NH2+][C@H](C)CNC(=O)NCCC[N@H+](C)CC(C)C ZINC000652217869 424078763 /nfs/dbraw/zinc/07/87/63/424078763.db2.gz MPFYMFFBSXLWKE-CYBMUJFWSA-N 2 0 272.437 1.262 10 0 CDAERP [NH3+]CC1(CCNC(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000652200987 424049394 /nfs/dbraw/zinc/04/93/94/424049394.db2.gz QFQSTYLKPIXPAZ-UHFFFAOYSA-N 2 0 282.432 1.466 10 0 CDAERP [NH3+]C[C@@H](NC(=O)CC1(C[NH3+])CCCCC1)C(F)(F)F ZINC000655516586 424178630 /nfs/dbraw/zinc/17/86/30/424178630.db2.gz WLLFPOJKOPKVJD-SECBINFHSA-N 2 0 281.322 1.292 10 0 CDAERP O=C([C@@H]1CC[C@H](C2CC2)[NH2+]1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000653126015 424322661 /nfs/dbraw/zinc/32/26/61/424322661.db2.gz GMPKZPOTOQEYJW-JJXSEGSLSA-N 2 0 291.439 1.508 10 0 CDAERP [NH3+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)CC1 ZINC000653141485 424361873 /nfs/dbraw/zinc/36/18/73/424361873.db2.gz RSWUQJDOOSQRTA-QHSBEEBCSA-N 2 0 279.428 1.398 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000659618344 424413343 /nfs/dbraw/zinc/41/33/43/424413343.db2.gz GVUJQJITJJMHRI-CHWSQXEVSA-N 2 0 272.437 1.375 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000659295442 424506881 /nfs/dbraw/zinc/50/68/81/424506881.db2.gz CHCGLXVJDLPAQS-ZDUSSCGKSA-N 2 0 277.368 1.023 10 0 CDAERP CC(C)[NH+]1CCN(CCC[NH2+][C@@H]2C[C@H](O)C23CCC3)CC1 ZINC000661832192 424614971 /nfs/dbraw/zinc/61/49/71/424614971.db2.gz YMZQNKIXGKUIPY-CVEARBPZSA-N 2 0 295.471 1.296 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](n1cccn1)C(F)(F)F ZINC000530210436 271152561 /nfs/dbraw/zinc/15/25/61/271152561.db2.gz KHQBKJIIQPCZIM-GARJFASQSA-N 2 0 276.306 1.704 10 0 CDAERP CCCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001668059354 1173363431 /nfs/dbraw/zinc/36/34/31/1173363431.db2.gz FGMOMUJGWKWPST-HIFRSBDPSA-N 2 0 281.444 1.613 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000440922699 276259523 /nfs/dbraw/zinc/25/95/23/276259523.db2.gz DCHLRDATCXGTAI-VNHYZAJKSA-N 2 0 279.428 1.602 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@]2(CNC(=O)C2)C1 ZINC000334622617 277046765 /nfs/dbraw/zinc/04/67/65/277046765.db2.gz BQCYYXBZZSNGFF-ZFWWWQNUSA-N 2 0 265.401 1.073 10 0 CDAERP C[N@@H+]1CC[C@H](NC(=O)C2CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000182835032 277164772 /nfs/dbraw/zinc/16/47/72/277164772.db2.gz HQHRGUNNQWKSLC-HOTGVXAUSA-N 2 0 287.407 1.548 10 0 CDAERP CO[C@]1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CCOC1 ZINC000353689136 277360803 /nfs/dbraw/zinc/36/08/03/277360803.db2.gz PVVUYBFIHYEWGL-YJNKXOJESA-N 2 0 268.401 1.254 10 0 CDAERP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422982127 277367862 /nfs/dbraw/zinc/36/78/62/277367862.db2.gz VQTXUMBBRGKNJC-NXOAAHMSSA-N 2 0 298.471 1.920 10 0 CDAERP C[C@@H](CNC(=O)C[NH2+]C1CCCC1)C[NH+]1CCCCC1 ZINC000038042254 277581430 /nfs/dbraw/zinc/58/14/30/277581430.db2.gz HDAMSZZMJLRTAO-AWEZNQCLSA-N 2 0 281.444 1.757 10 0 CDAERP C[C@H](CC[NH2+]CCC1CC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001668308640 1173393998 /nfs/dbraw/zinc/39/39/98/1173393998.db2.gz APLWDIFSMHTGQO-TZMCWYRMSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)[C@@H](C(=O)NC1CCC(C[NH+](C)C)CC1)[C@@H](C)[NH3+] ZINC000423746684 277720153 /nfs/dbraw/zinc/72/01/53/277720153.db2.gz OIQLULBJTCSRRJ-XSCHDIRWSA-N 2 0 283.460 1.842 10 0 CDAERP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)C[C@@]1(C)C[NH3+] ZINC000417849521 287982146 /nfs/dbraw/zinc/98/21/46/287982146.db2.gz WSEKRLNCTAGPBT-AQDIXCGQSA-N 2 0 279.428 1.350 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000232936376 278222700 /nfs/dbraw/zinc/22/27/00/278222700.db2.gz IJUCWXFIAJLZIN-JSGCOSHPSA-N 2 0 279.428 1.365 10 0 CDAERP C[C@H]([NH3+])CCC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000417824554 278224934 /nfs/dbraw/zinc/22/49/34/278224934.db2.gz ADZRQJFORQYTOS-GXTWGEPZSA-N 2 0 261.369 1.287 10 0 CDAERP CCC[NH+]1CCC([NH2+][C@@H]2CCC(=O)NC2(C)C)CC1 ZINC000338772379 278805078 /nfs/dbraw/zinc/80/50/78/278805078.db2.gz BVLJVMRNROJSLU-CYBMUJFWSA-N 2 0 267.417 1.508 10 0 CDAERP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000418244891 278979902 /nfs/dbraw/zinc/97/99/02/278979902.db2.gz XOKXMVIUOLFSPE-KKUMJFAQSA-N 2 0 296.459 1.628 10 0 CDAERP [NH3+][C@H](C[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1)C1CC1 ZINC000423336048 279685114 /nfs/dbraw/zinc/68/51/14/279685114.db2.gz XSRYHZUTFVNSKE-GBJTYRQASA-N 2 0 252.402 1.909 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)NCCC[NH+]2CCCCC2)C1 ZINC000194135467 280025062 /nfs/dbraw/zinc/02/50/62/280025062.db2.gz DJCRBFUDHHEWSV-OAHLLOKOSA-N 2 0 296.459 1.646 10 0 CDAERP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000417809285 280280857 /nfs/dbraw/zinc/28/08/57/280280857.db2.gz GYDJBHAUHFUJIZ-OLZOCXBDSA-N 2 0 269.433 1.596 10 0 CDAERP CC[N@@H+]1CC[C@H](NC[C@@H](O)C[NH+]2CCCCC2)[C@@H](C)C1 ZINC000246871164 280307675 /nfs/dbraw/zinc/30/76/75/280307675.db2.gz DKTNBOMJQSGOGU-XHSDSOJGSA-N 2 0 283.460 1.153 10 0 CDAERP CCOC[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000246982480 280313463 /nfs/dbraw/zinc/31/34/63/280313463.db2.gz VXYVGMYHZARXJC-BFHYXJOUSA-N 2 0 258.406 1.046 10 0 CDAERP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(-n3cncn3)cc2)C1 ZINC000415045526 280739642 /nfs/dbraw/zinc/73/96/42/280739642.db2.gz UEHORMLBRBRBLS-ZIAGYGMSSA-N 2 0 271.368 1.484 10 0 CDAERP Cc1cc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)ccn1 ZINC000527636022 281164501 /nfs/dbraw/zinc/16/45/01/281164501.db2.gz JFYFPUUTRCYOAK-UHFFFAOYSA-N 2 0 276.428 1.506 10 0 CDAERP CC1(C)CN(C(=O)[C@@H](C[NH3+])c2ccccc2)CC[C@H]1[NH3+] ZINC000261944046 281189525 /nfs/dbraw/zinc/18/95/25/281189525.db2.gz JQTWEEZUSPHLAK-UONOGXRCSA-N 2 0 275.396 1.315 10 0 CDAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC[NH+](CC)CC ZINC000179291788 281194884 /nfs/dbraw/zinc/19/48/84/281194884.db2.gz SGRJJPMOSOBNRD-LSDHHAIUSA-N 2 0 253.434 1.887 10 0 CDAERP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)NCCC[NH3+])c1 ZINC000361739396 281216296 /nfs/dbraw/zinc/21/62/96/281216296.db2.gz QTMFHYJBMVNTLJ-MRXNPFEDSA-N 2 0 289.423 1.815 10 0 CDAERP C[NH+](C)CC1(C[NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)CCCC1 ZINC000423037890 282074863 /nfs/dbraw/zinc/07/48/63/282074863.db2.gz NKCJBNWPDSMOSS-HOTGVXAUSA-N 2 0 295.471 1.465 10 0 CDAERP C[NH+](C)C1(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CCCC1 ZINC000110374465 289054721 /nfs/dbraw/zinc/05/47/21/289054721.db2.gz AQLMUQOVMFVZPW-KKUMJFAQSA-N 2 0 293.455 1.898 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)CC[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC000351970796 289277207 /nfs/dbraw/zinc/27/72/07/289277207.db2.gz JJFHEBFBHJWNGP-CABCVRRESA-N 2 0 281.444 1.707 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)C[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000089746450 289278625 /nfs/dbraw/zinc/27/86/25/289278625.db2.gz ZSPHRGXYDURINJ-HIFRSBDPSA-N 2 0 275.396 1.405 10 0 CDAERP C[C@@H]1C[C@@H](C)[NH+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000547769827 289805958 /nfs/dbraw/zinc/80/59/58/289805958.db2.gz QCGQKUFCKMGFJW-VXGBXAGGSA-N 2 0 265.401 1.212 10 0 CDAERP CC/C=C/CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001668745363 1173454640 /nfs/dbraw/zinc/45/46/40/1173454640.db2.gz FDLPQRXXIQCAHW-XHEBZGRCSA-N 2 0 279.428 1.699 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000423016315 293097685 /nfs/dbraw/zinc/09/76/85/293097685.db2.gz SUZIYMARYCRDBE-BBWFWOEESA-N 2 0 291.439 1.775 10 0 CDAERP CCC1(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CCCCC1 ZINC000563011106 293244021 /nfs/dbraw/zinc/24/40/21/293244021.db2.gz GOCWQJFYNUBYQI-MRXNPFEDSA-N 2 0 297.487 1.545 10 0 CDAERP C[NH2+]C1CCN(C[C@@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000564988086 293480820 /nfs/dbraw/zinc/48/08/20/293480820.db2.gz DMMOXZFHNUNPAR-CQSZACIVSA-N 2 0 277.412 1.421 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)N1CCC(CC[NH3+])CC1 ZINC000565150035 293531817 /nfs/dbraw/zinc/53/18/17/293531817.db2.gz HBGKEDHVQHZEOC-UHFFFAOYSA-N 2 0 275.396 1.389 10 0 CDAERP C[C@@H]1CN(C(=O)[C@H]2[NH2+]CCc3ccccc32)C[C@@]1(C)C[NH3+] ZINC000565705360 293664564 /nfs/dbraw/zinc/66/45/64/293664564.db2.gz NZKRGUNXDFSRDO-ISTRZQFTSA-N 2 0 287.407 1.317 10 0 CDAERP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CC3CCC2(C[NH3+])CC3)C1 ZINC000568876961 294116668 /nfs/dbraw/zinc/11/66/68/294116668.db2.gz YLKXMHYTQSREGN-KLNSDEMFSA-N 2 0 265.401 1.104 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000571222400 294391841 /nfs/dbraw/zinc/39/18/41/294391841.db2.gz CTUXNHGEPNYYAP-UONOGXRCSA-N 2 0 265.401 1.025 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000572857776 294706531 /nfs/dbraw/zinc/70/65/31/294706531.db2.gz YFPSNWMDUGQTKL-GLQYFDAESA-N 2 0 288.395 1.210 10 0 CDAERP COC[C@@H](C)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000574486577 295006896 /nfs/dbraw/zinc/00/68/96/295006896.db2.gz JYTNWJGKVOYGJN-PMRDEQMMSA-N 2 0 295.471 1.512 10 0 CDAERP [NH3+]C1CCC(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000333722342 295211549 /nfs/dbraw/zinc/21/15/49/295211549.db2.gz UVEFQEOFINXQIN-JXQTWKCFSA-N 2 0 280.416 1.136 10 0 CDAERP [NH3+][C@H]1CCC[C@H]1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000164685518 295338819 /nfs/dbraw/zinc/33/88/19/295338819.db2.gz CTGPRLBZRURIFM-CABCVRRESA-N 2 0 279.428 1.637 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000418596656 297109034 /nfs/dbraw/zinc/10/90/34/297109034.db2.gz OZLGSJKGQYYORW-CHWSQXEVSA-N 2 0 282.432 1.158 10 0 CDAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCCCCC[NH+]1CCCC1 ZINC000418209951 300324485 /nfs/dbraw/zinc/32/44/85/300324485.db2.gz CIMDOPKKCRVSHU-GJZGRUSLSA-N 2 0 296.459 1.550 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000418025545 300674846 /nfs/dbraw/zinc/67/48/46/300674846.db2.gz NYYLQUGGLGSYEK-STQMWFEESA-N 2 0 282.432 1.240 10 0 CDAERP CCC[NH2+]CCCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001670276385 1173669793 /nfs/dbraw/zinc/66/97/93/1173669793.db2.gz YLQSQKFTSRAZHK-LSDHHAIUSA-N 2 0 281.444 1.851 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000174583820 315889873 /nfs/dbraw/zinc/88/98/73/315889873.db2.gz DONCTGLHRZVIOE-CQSZACIVSA-N 2 0 267.417 1.269 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)C[NH+](C)[C@H]2CCSC2)CC[N@@H+]1C ZINC000343730234 316038472 /nfs/dbraw/zinc/03/84/72/316038472.db2.gz XNMJVKREMTXFIP-RDBSUJKOSA-N 2 0 299.484 1.365 10 0 CDAERP CC[NH+](CC)CC(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000575747946 317006701 /nfs/dbraw/zinc/00/67/01/317006701.db2.gz DCNHBGGGAGPSHZ-HUUCEWRRSA-N 2 0 297.443 1.073 10 0 CDAERP C[C@@H]1CN(C(=O)CC[C@H]2CCCC[N@@H+]2C)[C@@H](C)C[NH2+]1 ZINC000575986168 317052505 /nfs/dbraw/zinc/05/25/05/317052505.db2.gz SMSDOOUKAMQQMH-HZSPNIEDSA-N 2 0 267.417 1.460 10 0 CDAERP C[C@H]1CCC[N@H+](CCNC(=O)N(C)CCC[NH+](C)C)C1 ZINC000185375661 323388710 /nfs/dbraw/zinc/38/87/10/323388710.db2.gz LESVZKQTSGXBMQ-AWEZNQCLSA-N 2 0 284.448 1.311 10 0 CDAERP C[C@H](CCNC(=O)N(C)CCC[NH+](C)C)[NH+]1CCCCC1 ZINC000186776486 323413412 /nfs/dbraw/zinc/41/34/12/323413412.db2.gz DOUTZJMREDYYGC-OAHLLOKOSA-N 2 0 298.475 1.844 10 0 CDAERP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NCC1CC[NH2+]CC1 ZINC000579343334 324159910 /nfs/dbraw/zinc/15/99/10/324159910.db2.gz PIDIMJDYUVXISW-KBPBESRZSA-N 2 0 267.417 1.400 10 0 CDAERP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@H]1CC[NH2+][C@@H]1C)CC2 ZINC000579829715 324292638 /nfs/dbraw/zinc/29/26/38/324292638.db2.gz YXKTYOXETUVVKS-KBXIAJHMSA-N 2 0 279.428 1.458 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)C1 ZINC000583702314 325226193 /nfs/dbraw/zinc/22/61/93/325226193.db2.gz PUBHSWNFBBQCSF-CHWSQXEVSA-N 2 0 276.384 1.458 10 0 CDAERP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CC[C@@H](C)F ZINC001418730681 1159169227 /nfs/dbraw/zinc/16/92/27/1159169227.db2.gz OIFMZPBEWQDACL-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)[N@H+](C)CCNC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000250481822 1159256375 /nfs/dbraw/zinc/25/63/75/1159256375.db2.gz CQBCHDFQBWJEBB-QWHCGFSZSA-N 2 0 255.406 1.350 10 0 CDAERP CC(C)=CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001731594103 1159315055 /nfs/dbraw/zinc/31/50/55/1159315055.db2.gz LSKZOAFAXVPIIA-BFHYXJOUSA-N 2 0 267.417 1.387 10 0 CDAERP CCCC[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001731909458 1159391451 /nfs/dbraw/zinc/39/14/51/1159391451.db2.gz AGBBXEOFUKAMLJ-CQSZACIVSA-N 2 0 269.433 1.707 10 0 CDAERP CCCCC[N@H+](C)CCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001699001480 1176030681 /nfs/dbraw/zinc/03/06/81/1176030681.db2.gz WIEDNNFIZZWVBM-HNNXBMFYSA-N 2 0 283.460 1.909 10 0 CDAERP CC1CC[NH+](CCNC(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652128253 482443381 /nfs/dbraw/zinc/44/33/81/482443381.db2.gz UJOBBFTZAQPKDB-UHFFFAOYSA-N 2 0 282.432 1.147 10 0 CDAERP CC(C)[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]C[C@@H]1CCCCO1 ZINC001482554134 1160388085 /nfs/dbraw/zinc/38/80/85/1160388085.db2.gz JFJRBGBDDTVMGH-LSDHHAIUSA-N 2 0 299.459 1.238 10 0 CDAERP CO[C@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1CCCC1 ZINC000668302306 482363099 /nfs/dbraw/zinc/36/30/99/482363099.db2.gz DJHUYCCFCJMSHN-HNNXBMFYSA-N 2 0 299.459 1.143 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)c2ncnn21 ZINC000668469337 482448664 /nfs/dbraw/zinc/44/86/64/482448664.db2.gz UTQSUGTULBBVAE-SWLSCSKDSA-N 2 0 298.394 1.938 10 0 CDAERP CCN(CCC[NH+](CC)CC)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000230712685 482558616 /nfs/dbraw/zinc/55/86/16/482558616.db2.gz NJNGWUPAJPNPRF-CABCVRRESA-N 2 0 283.460 1.942 10 0 CDAERP CN1CCN(C(=O)C[NH2+][C@@H]2CC[C@H]2C(C)(C)C)CC1 ZINC000672602896 482580145 /nfs/dbraw/zinc/58/01/45/482580145.db2.gz RWPUGTQVXGPLRE-CHWSQXEVSA-N 2 0 267.417 1.175 10 0 CDAERP C[C@@H](CCNC(=O)NC/C=C\C[NH3+])[NH+]1CCCCC1 ZINC000669558386 482681376 /nfs/dbraw/zinc/68/13/76/482681376.db2.gz ZVZGYRXUPAHWJH-SCOBNMCVSA-N 2 0 268.405 1.065 10 0 CDAERP O=C(CCC1CC[NH2+]CC1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334353508 482719911 /nfs/dbraw/zinc/71/99/11/482719911.db2.gz YIHDKTVFJFBFAG-MRXNPFEDSA-N 2 0 279.428 1.368 10 0 CDAERP C[C@H]([NH2+]C[C@@H](O)CN(C)Cc1ccccc1)[C@@H]1CCOC1 ZINC000681220849 482748360 /nfs/dbraw/zinc/74/83/60/482748360.db2.gz JEEIYANOCULTLL-USXIJHARSA-N 2 0 292.423 1.494 10 0 CDAERP CO[C@@H]1CCC[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000684376203 482780783 /nfs/dbraw/zinc/78/07/83/482780783.db2.gz GHXBSLIXGIJBHP-RRFJBIMHSA-N 2 0 297.443 1.121 10 0 CDAERP CC(C)[NH2+]CC(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000309848701 483052838 /nfs/dbraw/zinc/05/28/38/483052838.db2.gz ZHBKOSNQNZBATA-AWEZNQCLSA-N 2 0 277.412 1.621 10 0 CDAERP C[N@@H+]1CCN(CC[NH2+][C@@H]2CO[C@H](C3CC3)C2)CC1(C)C ZINC000668103357 483071352 /nfs/dbraw/zinc/07/13/52/483071352.db2.gz JBOKKUOJAMVYDP-GJZGRUSLSA-N 2 0 281.444 1.170 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000136425149 483145626 /nfs/dbraw/zinc/14/56/26/483145626.db2.gz SGXOETHJQCQEKO-CYBMUJFWSA-N 2 0 269.433 1.741 10 0 CDAERP Cn1c2ccc(C[NH2+][C@@H]3CCC[C@@H]([NH3+])C3)cc2sc1=O ZINC000666853947 483185734 /nfs/dbraw/zinc/18/57/34/483185734.db2.gz RWHALFBFENWBBO-VXGBXAGGSA-N 2 0 291.420 1.960 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157786997 483262332 /nfs/dbraw/zinc/26/23/32/483262332.db2.gz HJCOAAYWNIEKOO-DGAVXFQQSA-N 2 0 265.401 1.104 10 0 CDAERP COC[C@](C)(CO)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000679118250 483277272 /nfs/dbraw/zinc/27/72/72/483277272.db2.gz VKCYEURMBUWMNP-INIZCTEOSA-N 2 0 296.411 1.114 10 0 CDAERP [NH3+]C/C=C\CNC(=O)NCCCCC[NH+]1CCCCC1 ZINC000669491626 483282349 /nfs/dbraw/zinc/28/23/49/483282349.db2.gz PFAAGACTPIGEST-HYXAFXHYSA-N 2 0 282.432 1.457 10 0 CDAERP C[C@@H]([NH2+]C[C@]1(CCO)CCOC1)C1CC[NH+](C)CC1 ZINC000675936444 483384076 /nfs/dbraw/zinc/38/40/76/483384076.db2.gz KETHXYGXVWYKJN-HIFRSBDPSA-N 2 0 270.417 1.095 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000136451320 483404023 /nfs/dbraw/zinc/40/40/23/483404023.db2.gz WJZKJRWDOBQIBY-CQSZACIVSA-N 2 0 267.417 1.447 10 0 CDAERP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667777085 483420567 /nfs/dbraw/zinc/42/05/67/483420567.db2.gz NJEVSTZNDBGHDN-LSDHHAIUSA-N 2 0 281.444 1.170 10 0 CDAERP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CO[C@H](C3CC3)C2)C1 ZINC000667796236 483432398 /nfs/dbraw/zinc/43/23/98/483432398.db2.gz FHVHUFUMJPGAEF-SNPRPXQTSA-N 2 0 252.402 1.875 10 0 CDAERP CN(CC[NH2+]CC1CC(F)(F)C1)C(=O)C[NH+]1CCCC1 ZINC001691602733 1160714888 /nfs/dbraw/zinc/71/48/88/1160714888.db2.gz DCEAFEDIGPJNIU-UHFFFAOYSA-N 2 0 289.370 1.176 10 0 CDAERP C([NH2+]C1CC1)[C@H]1CC[C@@H](C[NH+]2CCSCC2)O1 ZINC000052443291 518398211 /nfs/dbraw/zinc/39/82/11/518398211.db2.gz YMBDDIJSBUWEQS-OLZOCXBDSA-N 2 0 256.415 1.335 10 0 CDAERP CC(C)C[NH+]1CCN(CC[NH2+][C@@H](C)C(C)C)CC1 ZINC000055075718 519725945 /nfs/dbraw/zinc/72/59/45/519725945.db2.gz CQESDKLADCYHGG-HNNXBMFYSA-N 2 0 255.450 1.894 10 0 CDAERP C[C@@H](C[NH2+]CCCO)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001483242552 1160878593 /nfs/dbraw/zinc/87/85/93/1160878593.db2.gz NAPGSKBMZYAKRF-ZDUSSCGKSA-N 2 0 299.459 1.116 10 0 CDAERP CCC[NH+]1CCN(C[C@@H]2CCC[C@H]2[NH2+]CC)CC1 ZINC000053860642 519858675 /nfs/dbraw/zinc/85/86/75/519858675.db2.gz GORPOGRKJFLROL-LSDHHAIUSA-N 2 0 253.434 1.792 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000061267003 519962842 /nfs/dbraw/zinc/96/28/42/519962842.db2.gz PTBGHSUATZDDQP-DZGCQCFKSA-N 2 0 277.412 1.651 10 0 CDAERP CC[NH2+]Cc1cn(CC[N@H+](CC)[C@@H](C)CC)nn1 ZINC000052451248 520013994 /nfs/dbraw/zinc/01/39/94/520013994.db2.gz ILLYIEDXKYZNQS-LBPRGKRZSA-N 2 0 253.394 1.508 10 0 CDAERP CCN[C@@H](CC[NH+]1CCC(C[NH+](C)C)CC1)C(=O)OCC ZINC000062460338 520087629 /nfs/dbraw/zinc/08/76/29/520087629.db2.gz YLSBQONLELTHND-HNNXBMFYSA-N 2 0 299.459 1.191 10 0 CDAERP CC[NH+](CC)CC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000236842602 520581103 /nfs/dbraw/zinc/58/11/03/520581103.db2.gz QMYAIMQDTMOWGN-ZDUSSCGKSA-N 2 0 255.406 1.352 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@H]1C[C@H]([NH3+])CC[C@@H]1C ZINC000055123416 520619108 /nfs/dbraw/zinc/61/91/08/520619108.db2.gz NLRXDHIDAPYBAW-MJBXVCDLSA-N 2 0 269.433 1.598 10 0 CDAERP CC[NH+]1CCC([C@H](C)NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001486449843 1161455507 /nfs/dbraw/zinc/45/55/07/1161455507.db2.gz RUAREAAZEPCKTJ-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)CC[NH2+]1 ZINC000417931550 533924241 /nfs/dbraw/zinc/92/42/41/533924241.db2.gz LLSMJDZUYNBBHM-XSCHDIRWSA-N 2 0 296.459 1.547 10 0 CDAERP CCN(CC[NH2+]CCF)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001732790651 1183127139 /nfs/dbraw/zinc/12/71/39/1183127139.db2.gz MBNREFNESNYXSR-UHFFFAOYSA-N 2 0 273.396 1.268 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]C(C)C ZINC001734358367 1183745916 /nfs/dbraw/zinc/74/59/16/1183745916.db2.gz SWLIUHYZBFMFAQ-ZIAGYGMSSA-N 2 0 269.433 1.706 10 0 CDAERP CC(C)[N@H+](C)CCCCNC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055090074 519613245 /nfs/dbraw/zinc/61/32/45/519613245.db2.gz OWHZMVOUFLTLRS-KGLIPLIRSA-N 2 0 269.433 1.741 10 0 CDAERP CC(C)[N@H+](CCn1cc(C[NH3+])nn1)Cc1ccccc1 ZINC000052417194 519651714 /nfs/dbraw/zinc/65/17/14/519651714.db2.gz VHONDRFTNURSDK-UHFFFAOYSA-N 2 0 273.384 1.647 10 0 CDAERP CC(C)[NH+]1CCN(C(=O)[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000055087644 519680426 /nfs/dbraw/zinc/68/04/26/519680426.db2.gz LORJRYYNQLSOQX-QWHCGFSZSA-N 2 0 253.390 1.057 10 0 CDAERP CC(C)[N@@H+]1CC[C@@](C[NH3+])(N2Cc3ccccc3C2)C1 ZINC000050910584 519688435 /nfs/dbraw/zinc/68/84/35/519688435.db2.gz REMGPDQJWKDNNL-INIZCTEOSA-N 2 0 259.397 1.814 10 0 CDAERP CC(C)NC(=[NH2+])N1CCC(C[NH+]2CCCC2)CC1 ZINC000062034261 519699931 /nfs/dbraw/zinc/69/99/31/519699931.db2.gz GXUCMIMMADIRPS-UHFFFAOYSA-N 2 0 252.406 1.727 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)[C@H]2C[C@H]([NH3+])CC[C@@H]2C)CC1 ZINC000055132132 519724932 /nfs/dbraw/zinc/72/49/32/519724932.db2.gz IYQXAEGJWNKSNK-ZNMIVQPWSA-N 2 0 281.444 1.550 10 0 CDAERP CC(C)[NH2+]C[C@H]1CC[C@@H](C[N@@H+]2CCCSCC2)O1 ZINC000052371156 519725882 /nfs/dbraw/zinc/72/58/82/519725882.db2.gz RPMGUSVGZUAHBU-KGLIPLIRSA-N 2 0 272.458 1.971 10 0 CDAERP CC(C)C[NH+]1CCN(CCOc2ccc(C[NH3+])cc2)CC1 ZINC000055077541 519726108 /nfs/dbraw/zinc/72/61/08/519726108.db2.gz ZIJIAWJJDODHRI-UHFFFAOYSA-N 2 0 291.439 1.798 10 0 CDAERP CC(C)C[NH+]1CCN([C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000055079065 519727590 /nfs/dbraw/zinc/72/75/90/519727590.db2.gz VSRYSVHLGIXNIX-LSDHHAIUSA-N 2 0 253.434 1.920 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CC[C@H](COC2CC[NH+](C)CC2)O1 ZINC000052596898 519746372 /nfs/dbraw/zinc/74/63/72/519746372.db2.gz BFDJEPNWIULXEV-HZPDHXFCSA-N 2 0 284.444 1.890 10 0 CDAERP CC(C)C[NH2+]Cc1ccc(N2CCC[C@H]2C[NH+](C)C)nn1 ZINC000061654249 519747057 /nfs/dbraw/zinc/74/70/57/519747057.db2.gz UNWVMVFXEOZBCR-HNNXBMFYSA-N 2 0 291.443 1.753 10 0 CDAERP CC(C)[C@@H](CNC(=O)[C@@H](C[NH3+])c1ccccc1)[NH+](C)C ZINC000061612629 519794566 /nfs/dbraw/zinc/79/45/66/519794566.db2.gz JKPCIWWRYSPWNI-LSDHHAIUSA-N 2 0 277.412 1.431 10 0 CDAERP CC(C)[C@@H](C[NH2+]C1CC1)N1CCC([NH+](C)C)CC1 ZINC000052477507 519794787 /nfs/dbraw/zinc/79/47/87/519794787.db2.gz RSYITRAQDRWCMR-OAHLLOKOSA-N 2 0 253.434 1.789 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)[C@@H](C)C2C[NH2+]C2)CC1 ZINC000164316173 519843582 /nfs/dbraw/zinc/84/35/82/519843582.db2.gz ANRJYDOCAHTVGQ-LBPRGKRZSA-N 2 0 267.417 1.175 10 0 CDAERP CCC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]C[C@@H]2CN(C)CCN2C)C1 ZINC000068803587 519853596 /nfs/dbraw/zinc/85/35/96/519853596.db2.gz LMRITJVXJDTBPU-IXDOHACOSA-N 2 0 296.503 1.332 10 0 CDAERP CCC[NH+]1CCN(C(=O)[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000055086461 519856507 /nfs/dbraw/zinc/85/65/07/519856507.db2.gz CZCIJYDCVWPRQV-OLZOCXBDSA-N 2 0 253.390 1.058 10 0 CDAERP CCC[NH+]1CCN(Cc2ccc(C[NH2+]C)cc2)CC1 ZINC000052421999 519859057 /nfs/dbraw/zinc/85/90/57/519859057.db2.gz BIKBQVIUWWAXGE-UHFFFAOYSA-N 2 0 261.413 1.934 10 0 CDAERP CCC[NH2+]CC1(C[N@H+](CC)CCO)CCOCC1 ZINC000052182123 519910348 /nfs/dbraw/zinc/91/03/48/519910348.db2.gz QDOKKJWNJDAUJV-UHFFFAOYSA-N 2 0 258.406 1.097 10 0 CDAERP CC[NH2+]CCC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000061299453 519915536 /nfs/dbraw/zinc/91/55/36/519915536.db2.gz MMDJZLVXDFXRET-UHFFFAOYSA-N 2 0 253.390 1.073 10 0 CDAERP CC[NH2+]C[C@@H](C(C)C)N1CCC(C[NH+](C)C)CC1 ZINC000052515147 519931898 /nfs/dbraw/zinc/93/18/98/519931898.db2.gz POKRWCDAHJWKOC-HNNXBMFYSA-N 2 0 255.450 1.894 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000061227591 519934451 /nfs/dbraw/zinc/93/44/51/519934451.db2.gz BJKUTEGKPNCGNQ-KGLIPLIRSA-N 2 0 269.433 1.613 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)Cc2cnn(C)c2)O1 ZINC000052570417 519952642 /nfs/dbraw/zinc/95/26/42/519952642.db2.gz LOYSFDJEWYOSQQ-UONOGXRCSA-N 2 0 266.389 1.009 10 0 CDAERP CC[NH2+]Cc1c(C)nn(C)c1N1CCC[C@H]1C[NH+](C)C ZINC000061646050 519982948 /nfs/dbraw/zinc/98/29/48/519982948.db2.gz LTGDFBKZCLJFFJ-ZDUSSCGKSA-N 2 0 279.432 1.368 10 0 CDAERP CC[NH2+]Cc1cc(C[N@H+](CC)[C@H](C)COC)on1 ZINC000052504844 519986704 /nfs/dbraw/zinc/98/67/04/519986704.db2.gz VIARKDWMYSWOGN-LLVKDONJSA-N 2 0 255.362 1.641 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)N(CC[NH+](C)C)Cc1ccc(C)o1 ZINC000061272756 520060782 /nfs/dbraw/zinc/06/07/82/520060782.db2.gz GJYDZCROSLNEDG-ZDUSSCGKSA-N 2 0 295.427 1.866 10 0 CDAERP CCC[NH2+][C@H]1CCC[C@@H]1CN1CCN(CC[NH+](C)C)CC1 ZINC000061653771 520091976 /nfs/dbraw/zinc/09/19/76/520091976.db2.gz BHGUINGFDBCQOM-SJORKVTESA-N 2 0 296.503 1.334 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@H]1CC[C@H]([NH3+])C[C@@H]1C ZINC000055123431 520618091 /nfs/dbraw/zinc/61/80/91/520618091.db2.gz IWYIOOBMFRBAIQ-IHRRRGAJSA-N 2 0 269.433 1.598 10 0 CDAERP CC[NH+](CC)CCN1[C@@H]2CCC[C@H]1CC([NH2+]C)C2 ZINC000054601540 520666260 /nfs/dbraw/zinc/66/62/60/520666260.db2.gz JYRWPCMUVCTBSO-GOOCMWNKSA-N 2 0 253.434 1.933 10 0 CDAERP CCC[C@@H](O)[C@H](CC)[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061652702 520807472 /nfs/dbraw/zinc/80/74/72/520807472.db2.gz JVVAUHDNHWNWBZ-LSDHHAIUSA-N 2 0 271.449 1.105 10 0 CDAERP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000356314113 521354001 /nfs/dbraw/zinc/35/40/01/521354001.db2.gz ZDXATHBHDUWTEE-UONOGXRCSA-N 2 0 299.459 1.380 10 0 CDAERP CC[NH+]1CCC(N(C)Cc2cc(C[NH2+]C)co2)CC1 ZINC000052544025 521563684 /nfs/dbraw/zinc/56/36/84/521563684.db2.gz YYPJBDXPCBWMMF-UHFFFAOYSA-N 2 0 265.401 1.915 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000220940618 521631664 /nfs/dbraw/zinc/63/16/64/521631664.db2.gz DVCKPXCHQQDPOT-JHJVBQTASA-N 2 0 253.390 1.057 10 0 CDAERP CC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]CCN(C)CCOC)C1 ZINC000061376270 521651011 /nfs/dbraw/zinc/65/10/11/521651011.db2.gz QCCVGDZEDVOCHW-CABCVRRESA-N 2 0 271.449 1.275 10 0 CDAERP CCC1(C(=O)N[C@@H](C[NH+](C)C)C(C)C)CC[NH2+]CC1 ZINC000062849944 521669457 /nfs/dbraw/zinc/66/94/57/521669457.db2.gz VNVWRPRSMFYTTI-ZDUSSCGKSA-N 2 0 269.433 1.469 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000061645034 521832840 /nfs/dbraw/zinc/83/28/40/521832840.db2.gz YWRMUNVNYRUSJH-HOTGVXAUSA-N 2 0 287.407 1.254 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000061644878 521863154 /nfs/dbraw/zinc/86/31/54/521863154.db2.gz XNXJENXXMRMNDF-CABCVRRESA-N 2 0 275.396 1.109 10 0 CDAERP C[NH2+]C(C)(C)CN1CCC([NH+]2CCCCC2)CC1 ZINC000061319653 521945417 /nfs/dbraw/zinc/94/54/17/521945417.db2.gz FUUYGWMDYZRHHK-UHFFFAOYSA-N 2 0 253.434 1.935 10 0 CDAERP C[NH2+]C[C@]1(CN2CC[NH+](C(C)(C)C)CC2)CCOC1 ZINC000051258027 522098879 /nfs/dbraw/zinc/09/88/79/522098879.db2.gz PNJMCFBCCOFSLU-HNNXBMFYSA-N 2 0 269.433 1.029 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000055064280 522116399 /nfs/dbraw/zinc/11/63/99/522116399.db2.gz YJPNIXSKQHWZBV-CYBMUJFWSA-N 2 0 275.396 1.702 10 0 CDAERP CC[C@H](CC[NH3+])[N@@H+]1CCCN(C(=O)[C@@H]2CCCCO2)CC1 ZINC000050958402 522129127 /nfs/dbraw/zinc/12/91/27/522129127.db2.gz PGUUWDSGTWWGIE-CABCVRRESA-N 2 0 297.443 1.217 10 0 CDAERP C[NH2+]Cc1ccccc1OCCOCC[NH+](C)C ZINC000052669650 522140756 /nfs/dbraw/zinc/14/07/56/522140756.db2.gz CQGZWQFAWMSQIX-UHFFFAOYSA-N 2 0 252.358 1.363 10 0 CDAERP C[NH2+]Cc1cn(CC[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)nn1 ZINC000052482553 522142909 /nfs/dbraw/zinc/14/29/09/522142909.db2.gz PXPJDWXSNHRZSG-ZFWWWQNUSA-N 2 0 277.416 1.652 10 0 CDAERP C[NH2+]Cc1oc(C[NH+]2CCC(OC)CC2)cc1C ZINC000052455534 522162022 /nfs/dbraw/zinc/16/20/22/522162022.db2.gz OXLOUNGRUHKNSI-UHFFFAOYSA-N 2 0 252.358 1.918 10 0 CDAERP CC[C@@H](CC[NH3+])[N@@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000050539206 522497948 /nfs/dbraw/zinc/49/79/48/522497948.db2.gz VUJAKWWDDPGVJI-HNNXBMFYSA-N 2 0 279.432 1.055 10 0 CDAERP CC[C@H]1CC[C@H]([NH2+]C)[C@H](N2CCN(CC[NH+](C)C)CC2)C1 ZINC000061643850 523205493 /nfs/dbraw/zinc/20/54/93/523205493.db2.gz LPTQFKUURGIXIF-YESZJQIVSA-N 2 0 296.503 1.332 10 0 CDAERP CC[C@H]1CO[C@H](C)C[N@@H+]1CC1(C[NH3+])CCOCC1 ZINC000052197595 523352245 /nfs/dbraw/zinc/35/22/45/523352245.db2.gz LVFCWKBEAGWUQU-OLZOCXBDSA-N 2 0 256.390 1.241 10 0 CDAERP CN(C(=O)C1CCC(C[NH3+])CC1)C1CC[NH+](C)CC1 ZINC000055145646 523789703 /nfs/dbraw/zinc/78/97/03/523789703.db2.gz VFHCDCHSUDTNMP-UHFFFAOYSA-N 2 0 267.417 1.304 10 0 CDAERP C[N@@H+]1CCCN(Cc2cc(C[NH2+]C(C)(C)C)no2)CC1 ZINC000052424236 523810972 /nfs/dbraw/zinc/81/09/72/523810972.db2.gz RFHMGLCITLSQDS-UHFFFAOYSA-N 2 0 280.416 1.700 10 0 CDAERP COc1ccc(C)cc1[C@H](O)C[NH2+][C@H](C)CC[NH+](C)C ZINC000049557341 523860710 /nfs/dbraw/zinc/86/07/10/523860710.db2.gz UCVVSZQVWNBDNF-UKRRQHHQSA-N 2 0 280.412 1.967 10 0 CDAERP CC[C@H](C)[NH+]1CCN(CCC2CC[NH2+]CC2)CC1 ZINC000055067306 523953223 /nfs/dbraw/zinc/95/32/23/523953223.db2.gz HHMCDUCFHSPJGN-AWEZNQCLSA-N 2 0 253.434 1.792 10 0 CDAERP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1CCC[C@@H](CC[NH3+])C1 ZINC000055163283 524032214 /nfs/dbraw/zinc/03/22/14/524032214.db2.gz PGWBNKWSYPJRMM-QWHCGFSZSA-N 2 0 269.433 1.598 10 0 CDAERP C[C@H]1CCC[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2C)[C@@H]1[NH3+] ZINC000055138650 524179706 /nfs/dbraw/zinc/17/97/06/524179706.db2.gz AGFWLNLKEYSWQF-XDQVBPFNSA-N 2 0 267.417 1.350 10 0 CDAERP C[C@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)NCC(C)(C)[NH+](C)C ZINC000055141728 524204856 /nfs/dbraw/zinc/20/48/56/524204856.db2.gz KFUWHWOURRGMIM-SDDRHHMPSA-N 2 0 255.406 1.206 10 0 CDAERP C[C@H]1CC[C@@H](C(=O)NCC[NH+]2CCCCCC2)C[C@@H]1[NH3+] ZINC000055136209 524333113 /nfs/dbraw/zinc/33/31/13/524333113.db2.gz ZFRWQPOQCVWSPV-ZNMIVQPWSA-N 2 0 281.444 1.742 10 0 CDAERP C[C@@H](CC[NH+](C)C)[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000049557319 524473291 /nfs/dbraw/zinc/47/32/91/524473291.db2.gz KFQMRTJLNCHMCF-FZMZJTMJSA-N 2 0 254.349 1.789 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000186753712 524531438 /nfs/dbraw/zinc/53/14/38/524531438.db2.gz CSBNJAHWKGASHR-DOMZBBRYSA-N 2 0 275.396 1.476 10 0 CDAERP C[C@@H](C[NH+]1CCCC1)NC(=O)CCCCCC[NH3+] ZINC000049184846 524590190 /nfs/dbraw/zinc/59/01/90/524590190.db2.gz QMJVGNCBEUUQCI-ZDUSSCGKSA-N 2 0 255.406 1.496 10 0 CDAERP C[C@@H](CNC(=O)C1(C)CC[NH2+]CC1)C[NH+]1CCCCC1 ZINC000062840882 524643958 /nfs/dbraw/zinc/64/39/58/524643958.db2.gz ALUHPJYKKHSBQS-AWEZNQCLSA-N 2 0 281.444 1.614 10 0 CDAERP C[C@@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)N1CCC([NH+](C)C)CC1 ZINC000055128222 524684814 /nfs/dbraw/zinc/68/48/14/524684814.db2.gz HKAXEQLLGYYICP-DYEKYZERSA-N 2 0 267.417 1.303 10 0 CDAERP CCC[N@H+](C)CCC(=O)NCC1=CC[NH+](CC2CC2)CC1 ZINC001677625001 1174380163 /nfs/dbraw/zinc/38/01/63/1174380163.db2.gz YQJMMMLPIGVWCZ-UHFFFAOYSA-N 2 0 293.455 1.877 10 0 CDAERP C[C@@H]([NH3+])[C@H](N1CCC[C@@H]1C[NH+](C)C)C(F)(F)F ZINC000061642254 525016494 /nfs/dbraw/zinc/01/64/94/525016494.db2.gz SLNGSIDXJNGLKS-BBBLOLIVSA-N 2 0 253.312 1.291 10 0 CDAERP C[C@H]([NH2+]CCCC[NH+](C)C)C(=O)NC1CCCCC1 ZINC000045698324 525333227 /nfs/dbraw/zinc/33/32/27/525333227.db2.gz XBZTVMHMQCQACX-ZDUSSCGKSA-N 2 0 269.433 1.755 10 0 CDAERP C[C@H]1CCCC[C@@]1(C[NH3+])N1CCN(CC[NH+](C)C)CC1 ZINC000061643199 526259705 /nfs/dbraw/zinc/25/97/05/526259705.db2.gz GUTNKGJXBQFJLQ-HOTGVXAUSA-N 2 0 282.476 1.073 10 0 CDAERP [NH3+]C1CCC(CC(=O)N[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000055123542 527138837 /nfs/dbraw/zinc/13/88/37/527138837.db2.gz IATDUGOCBDJTCO-UXUKBGGZSA-N 2 0 265.401 1.104 10 0 CDAERP [NH3+]Cc1ncccc1CN1CC[NH+](CC2CC2)CC1 ZINC000061656716 527265203 /nfs/dbraw/zinc/26/52/03/527265203.db2.gz IGMWSPFLWSZBOY-UHFFFAOYSA-N 2 0 260.385 1.068 10 0 CDAERP Cc1ncc(C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cn1 ZINC000339284812 527272305 /nfs/dbraw/zinc/27/23/05/527272305.db2.gz TZLUEVDFTQWOKI-MRXNPFEDSA-N 2 0 291.443 1.147 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)C1 ZINC000417892741 528025848 /nfs/dbraw/zinc/02/58/48/528025848.db2.gz ROUGPDCOQCNHIC-RRFJBIMHSA-N 2 0 296.459 1.262 10 0 CDAERP CCO[C@H]1C[C@@H](O)C12CC[NH+](CCC[NH+]1CCCC1)CC2 ZINC000119059017 535648017 /nfs/dbraw/zinc/64/80/17/535648017.db2.gz RIFRTNXAHDKQRD-CVEARBPZSA-N 2 0 296.455 1.724 10 0 CDAERP C[NH2+]CCc1ccccc1C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000422536652 536446759 /nfs/dbraw/zinc/44/67/59/536446759.db2.gz GFSSEZSIYFVTNZ-CQSZACIVSA-N 2 0 275.396 1.320 10 0 CDAERP COc1cc(C)c(C[NH2+]CCCN2CC[NH2+]CC2)c(C)n1 ZINC000414782930 536574400 /nfs/dbraw/zinc/57/44/00/536574400.db2.gz PTYIDKRRANBDKY-UHFFFAOYSA-N 2 0 292.427 1.092 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](C)Oc1ccccc1 ZINC000422976321 536596153 /nfs/dbraw/zinc/59/61/53/536596153.db2.gz CSFCWJJAEJMUTH-UONOGXRCSA-N 2 0 266.385 1.797 10 0 CDAERP COCC[C@H](C)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000088510191 538283370 /nfs/dbraw/zinc/28/33/70/538283370.db2.gz HTRHDBAHBBKLCL-HOTGVXAUSA-N 2 0 283.460 1.513 10 0 CDAERP Cc1nn(C)c2sc([C@H]3C[NH2+]C[C@@H](C[NH3+])C3)cc12 ZINC000757216002 574908325 /nfs/dbraw/zinc/90/83/25/574908325.db2.gz OVHZCGRPNQCXRF-NXEZZACHSA-N 2 0 264.398 1.595 10 0 CDAERP C[C@H]1C[C@H](N(C)C(=S)NC2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000741483265 575055863 /nfs/dbraw/zinc/05/58/63/575055863.db2.gz CUCMLQJSTAYWQA-GXTWGEPZSA-N 2 0 298.500 1.370 10 0 CDAERP C[C@@H]1C[C@H](N[C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C[N@@H+]1C1CC1 ZINC000925541720 617484005 /nfs/dbraw/zinc/48/40/05/617484005.db2.gz MBOVHKHGXMONLW-CQOGHXNDSA-N 2 0 277.456 1.978 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925550320 617497626 /nfs/dbraw/zinc/49/76/26/617497626.db2.gz QXTRBBXDCGZPCZ-KFWWJZLASA-N 2 0 282.476 1.118 10 0 CDAERP Cc1nc2n(n1)C[C@H]([NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)CC2 ZINC000925575356 617523055 /nfs/dbraw/zinc/52/30/55/617523055.db2.gz FTBWFJVLZXEFPK-XQQFMLRXSA-N 2 0 277.416 1.397 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H]2CCc3n[nH]cc3C2)C1 ZINC000925583201 617531854 /nfs/dbraw/zinc/53/18/54/617531854.db2.gz KJNKKRAKXVISLG-JHJVBQTASA-N 2 0 262.401 1.763 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCCCS(C)(=O)=O)C1 ZINC000925706145 617789516 /nfs/dbraw/zinc/78/95/16/617789516.db2.gz MELDSYUARQMNRG-NWDGAFQWSA-N 2 0 276.446 1.307 10 0 CDAERP Cc1cc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)nn1C ZINC000925835850 617865547 /nfs/dbraw/zinc/86/55/47/617865547.db2.gz XLLUILPTMCCDFU-HZSPNIEDSA-N 2 0 262.401 1.249 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)C1CCOCC1 ZINC000925783413 617701528 /nfs/dbraw/zinc/70/15/28/617701528.db2.gz NWMJCGLYPLZQFH-JQWIXIFHSA-N 2 0 262.344 1.636 10 0 CDAERP C(C[C@H]1CC[NH2+]C1)[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925694710 617715545 /nfs/dbraw/zinc/71/55/45/617715545.db2.gz SCYOBCVHGURIRP-KBMXLJTQSA-N 3 0 265.445 1.744 10 0 CDAERP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CNCC2(CCOCC2)C1 ZINC000925799323 617730321 /nfs/dbraw/zinc/73/03/21/617730321.db2.gz SNVGLIDMFSQXHN-KBPBESRZSA-N 2 0 269.433 1.252 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@]12C[C@H]1CCCC2 ZINC000925803415 617739268 /nfs/dbraw/zinc/73/92/68/617739268.db2.gz ZJJWYQUHEZFBNJ-AICCOOGYSA-N 2 0 252.402 1.909 10 0 CDAERP C[C@H]([NH2+]C[C@H](O)C(F)(F)F)C1CC[NH+](C)CC1 ZINC000222638554 617741901 /nfs/dbraw/zinc/74/19/01/617741901.db2.gz BJXNIEZSURIHMI-WPRPVWTQSA-N 2 0 254.296 1.230 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCc1ccnn1-c1ccccc1 ZINC000925804853 617742598 /nfs/dbraw/zinc/74/25/98/617742598.db2.gz NUIJQVYZEVDVGX-HZPDHXFCSA-N 2 0 270.380 1.884 10 0 CDAERP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC[C@@H]1CC(=O)N(C)C1 ZINC000925807841 617748527 /nfs/dbraw/zinc/74/85/27/617748527.db2.gz DMKDMYWTQNFEHO-IMJJTQAJSA-N 2 0 289.423 1.403 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC000925814164 617760135 /nfs/dbraw/zinc/76/01/35/617760135.db2.gz HGWUKQLTRCEHFL-OAHLLOKOSA-N 2 0 295.377 1.965 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H](CO)Cc1ccoc1 ZINC000926847743 617760970 /nfs/dbraw/zinc/76/09/70/617760970.db2.gz ZVIAGOOEDDVMFF-LSVZVQIISA-N 2 0 278.396 1.360 10 0 CDAERP CCC1(CC)[C@@H]([NH2+]CCN2CCC([NH3+])CC2)C[C@@H]1OC ZINC000925813872 617761328 /nfs/dbraw/zinc/76/13/28/617761328.db2.gz CWTWDLKLGCSBRA-GJZGRUSLSA-N 2 0 283.460 1.593 10 0 CDAERP CC(C)C[N@H+](C)CCCN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925705264 617788379 /nfs/dbraw/zinc/78/83/79/617788379.db2.gz AREABFYKZUEBBF-ZIAGYGMSSA-N 2 0 253.434 1.824 10 0 CDAERP CC1(C)[C@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925713745 617819877 /nfs/dbraw/zinc/81/98/77/617819877.db2.gz YQQVJFOLOPVETH-YIYPIFLZSA-N 2 0 263.429 1.495 10 0 CDAERP CCS(=O)(=O)c1ccccc1CC[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000925834703 617862655 /nfs/dbraw/zinc/86/26/55/617862655.db2.gz OIUAVXWIZNGRDQ-OLZOCXBDSA-N 2 0 298.452 1.738 10 0 CDAERP COC[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C(C)C ZINC000925874669 617942870 /nfs/dbraw/zinc/94/28/70/617942870.db2.gz UFBCDKPFZFPWMK-LJISPDSOSA-N 2 0 254.418 1.883 10 0 CDAERP C[C@@H]([NH2+][C@H]1C[C@@H]2CC[C@@H]([NH2+]2)[C@@H]1C)C1CC[NH2+]CC1 ZINC000925726938 617969516 /nfs/dbraw/zinc/96/95/16/617969516.db2.gz ARPHPXBGJWZKDJ-RDCQKDKRSA-N 3 0 251.418 1.493 10 0 CDAERP C[C@H](C1CC1)[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000782182235 618056739 /nfs/dbraw/zinc/05/67/39/618056739.db2.gz AVHSKOZATAFXJG-CYBMUJFWSA-N 2 0 265.401 1.025 10 0 CDAERP C[C@H](C[NH2+][C@@H](C)c1ccns1)N1CC[NH+](C)CC1 ZINC000924962822 618445563 /nfs/dbraw/zinc/44/55/63/618445563.db2.gz CFVOJMLMLYWTGP-NEPJUHHUSA-N 2 0 268.430 1.430 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1cn(-c2ccccc2)nn1 ZINC000817907423 618486663 /nfs/dbraw/zinc/48/66/63/618486663.db2.gz NUAMOQHBVWXWHN-ZDUSSCGKSA-N 2 0 289.383 1.111 10 0 CDAERP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCOC12CCCCC2 ZINC000924989845 618551233 /nfs/dbraw/zinc/55/12/33/618551233.db2.gz DSBHPBNWNDPQLQ-JKSUJKDBSA-N 2 0 295.471 1.704 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000925316973 621041800 /nfs/dbraw/zinc/04/18/00/621041800.db2.gz KLTKMVGOLJGPFV-ILXRZTDVSA-N 2 0 294.443 1.349 10 0 CDAERP C[C@@H]1COC[C@@H](C)C1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000924628094 621597414 /nfs/dbraw/zinc/59/74/14/621597414.db2.gz HJZDEHMUYJOEDA-ZIAGYGMSSA-N 2 0 283.460 1.273 10 0 CDAERP O=C(N1CCC[C@H]1C[NH+]1CCCCC1)C12CC[NH+](CC1)C2 ZINC000900542445 623223949 /nfs/dbraw/zinc/22/39/49/623223949.db2.gz VCHSWOVJPMXVIT-HNNXBMFYSA-N 2 0 291.439 1.559 10 0 CDAERP C[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)C1CCCC1 ZINC000900588239 623264390 /nfs/dbraw/zinc/26/43/90/623264390.db2.gz NMVQZRWZEICCJI-UHFFFAOYSA-N 2 0 265.401 1.073 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900694567 623352686 /nfs/dbraw/zinc/35/26/86/623352686.db2.gz IVVNUTSHUKXKFY-ZNMIVQPWSA-N 2 0 281.444 1.850 10 0 CDAERP O=C(NCCN1CCSCC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900674777 623362103 /nfs/dbraw/zinc/36/21/03/623362103.db2.gz ZTUZBUUYWIJKBY-KGLIPLIRSA-N 2 0 297.468 1.168 10 0 CDAERP C1CCC([C@@H]2C[NH2+]CC[C@@H]2N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC000902469656 624862995 /nfs/dbraw/zinc/86/29/95/624862995.db2.gz ZTKJJKWQHGANMP-OLMNGRFOSA-N 2 0 263.429 1.637 10 0 CDAERP c1[nH+]cn2cc(C[NH2+][C@H]3CCO[C@]34CCOC4)ccc12 ZINC000903184426 625883361 /nfs/dbraw/zinc/88/33/61/625883361.db2.gz XROYWXCEHPCSKM-GJZGRUSLSA-N 2 0 273.336 1.372 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@H](OCC(F)(F)F)C1 ZINC000903431533 625989719 /nfs/dbraw/zinc/98/97/19/625989719.db2.gz YLQMNNPYWFZWPF-WOPDTQHZSA-N 2 0 280.334 1.885 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@@H](OCC(F)(F)F)C1 ZINC000903431532 625989983 /nfs/dbraw/zinc/98/99/83/625989983.db2.gz YLQMNNPYWFZWPF-GRYCIOLGSA-N 2 0 280.334 1.885 10 0 CDAERP Cc1cc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c(C)nn1 ZINC000903452200 626000901 /nfs/dbraw/zinc/00/09/01/626000901.db2.gz IRXILOYUDPLXCY-HNNXBMFYSA-N 2 0 274.412 1.915 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000903453049 626001046 /nfs/dbraw/zinc/00/10/46/626001046.db2.gz XLFNYKMULBAWAF-SYAUCNOPSA-N 2 0 259.397 1.269 10 0 CDAERP C(C[NH2+][C@@H]1CC[NH2+]C12CCC2)COC[C@H]1CCCO1 ZINC000903470135 626003531 /nfs/dbraw/zinc/00/35/31/626003531.db2.gz GLOJSQISRQJVPS-ZIAGYGMSSA-N 2 0 268.401 1.446 10 0 CDAERP C[C@@H]1C[N@@H+]([C@@H](C(=O)N(C)C)c2ccccc2)C[C@H]1CC[NH3+] ZINC000903496450 626012188 /nfs/dbraw/zinc/01/21/88/626012188.db2.gz OFPJEPWZCJIJHB-FVQBIDKESA-N 2 0 289.423 1.733 10 0 CDAERP [NH3+][C@@H]1CN(C[C@@H]2CCC[NH2+]C2)CC[C@@H]1C(F)(F)F ZINC000903533109 626018537 /nfs/dbraw/zinc/01/85/37/626018537.db2.gz AVPJAYPKTBPAJZ-OUAUKWLOSA-N 2 0 265.323 1.198 10 0 CDAERP C([C@@H]1CC2(CO1)CC[NH2+]CC2)[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000903765526 626084085 /nfs/dbraw/zinc/08/40/85/626084085.db2.gz IZULJOGOFVGCEN-ZNMIVQPWSA-N 2 0 280.412 1.113 10 0 CDAERP C(C[NH2+]C1CC1)CN1CCOC[C@@H]1C[C@H]1CCOC1 ZINC000903824609 626104183 /nfs/dbraw/zinc/10/41/83/626104183.db2.gz RTZQVOQIBSSQOS-HIFRSBDPSA-N 2 0 268.401 1.256 10 0 CDAERP CCC[C@@H](C)[N@H+](C)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903885884 626133444 /nfs/dbraw/zinc/13/34/44/626133444.db2.gz OGPJFOPPOQVPJJ-TZMCWYRMSA-N 2 0 266.433 1.966 10 0 CDAERP C[NH+](C)CCC[C@H]1CN(C[C@H]([NH3+])CC(F)F)CCO1 ZINC000903933194 626152940 /nfs/dbraw/zinc/15/29/40/626152940.db2.gz LTEMAGBTZIZSMV-NEPJUHHUSA-N 2 0 279.375 1.012 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[NH2+]Cc2cccnc2C)cnn1C ZINC000903933932 626153040 /nfs/dbraw/zinc/15/30/40/626153040.db2.gz BHIMTMUASDSORD-CQSZACIVSA-N 2 0 287.411 1.339 10 0 CDAERP [NH3+]CCN(CCc1ccccc1)C[C@@H]([NH3+])CC(F)F ZINC000903918194 626157700 /nfs/dbraw/zinc/15/77/00/626157700.db2.gz UUCWHGVWFBDYSW-ZDUSSCGKSA-N 2 0 271.355 1.472 10 0 CDAERP Cc1cc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)ccc1-n1cncn1 ZINC000903977692 626169827 /nfs/dbraw/zinc/16/98/27/626169827.db2.gz WDZQQVXHQSCYNB-GDBMZVCRSA-N 2 0 299.422 1.992 10 0 CDAERP COC[C@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903980037 626170470 /nfs/dbraw/zinc/17/04/70/626170470.db2.gz DNGLXZHKUCSMCF-BMFZPTHFSA-N 2 0 281.444 1.170 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000903964326 626171521 /nfs/dbraw/zinc/17/15/21/626171521.db2.gz NBOADKCGYXEDHX-RHSMWYFYSA-N 2 0 273.424 1.849 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1c[nH]nc1-c1cccnc1 ZINC000903965130 626171781 /nfs/dbraw/zinc/17/17/81/626171781.db2.gz WLBMIASLRDSHGS-YPMHNXCESA-N 2 0 271.368 1.417 10 0 CDAERP COC(=O)C[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C[C@H]1C ZINC000903986550 626174265 /nfs/dbraw/zinc/17/42/65/626174265.db2.gz LZIQGWSTUZWIKA-XJFOESAGSA-N 2 0 268.401 1.506 10 0 CDAERP C[NH2+]CCCCc1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000904117456 626196174 /nfs/dbraw/zinc/19/61/74/626196174.db2.gz ZTCQPLLAFMKUNZ-UHFFFAOYSA-N 2 0 271.324 1.926 10 0 CDAERP C[C@H](CNC(=[NH2+])NC[C@@H]1CCCS1)[NH+]1CCCC1 ZINC000905041578 626380860 /nfs/dbraw/zinc/38/08/60/626380860.db2.gz KTQBZHSYXGAOCW-NEPJUHHUSA-N 2 0 270.446 1.480 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=[NH2+])NC[C@H]1CCCS1 ZINC000905043518 626382446 /nfs/dbraw/zinc/38/24/46/626382446.db2.gz XRLWKYKJWYLMNO-VXGBXAGGSA-N 2 0 272.462 1.726 10 0 CDAERP C[NH2+][C@@H](C)Cc1noc(C(C)(C)[C@@H]([NH3+])C(C)C)n1 ZINC000905303421 626755510 /nfs/dbraw/zinc/75/55/10/626755510.db2.gz ALSFJSFHNBOJQB-ONGXEEELSA-N 2 0 254.378 1.481 10 0 CDAERP CN(C(=O)[C@H]1CCCCCC[C@H]1[NH3+])c1cc(C[NH3+])ccn1 ZINC000906228959 627157938 /nfs/dbraw/zinc/15/79/38/627157938.db2.gz KVHBFWFJXABKJQ-UONOGXRCSA-N 2 0 290.411 1.801 10 0 CDAERP C/C(=C/C(=O)N[C@H](C)C[N@H+](C)C(C)C)CN1CCOCC1 ZINC000908287042 628113307 /nfs/dbraw/zinc/11/33/07/628113307.db2.gz FQBWKRAQCIICJH-BAAYTWLHSA-N 2 0 297.443 1.110 10 0 CDAERP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000908345669 628146478 /nfs/dbraw/zinc/14/64/78/628146478.db2.gz FEOQMWUUNBWAQE-KBPBESRZSA-N 2 0 279.428 1.413 10 0 CDAERP C[NH+](C)Cc1ccc(NC(=O)C23CC[NH+](CC2)C3)c(F)c1 ZINC000910425022 629059255 /nfs/dbraw/zinc/05/92/55/629059255.db2.gz UPOQWIGZCAJVSY-UHFFFAOYSA-N 2 0 291.370 1.922 10 0 CDAERP C[NH+]1C[C@@]2(C)CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@]2(C)C1 ZINC000913278243 630421983 /nfs/dbraw/zinc/42/19/83/630421983.db2.gz CTIZXSFOEMNBMC-IRXDYDNUSA-N 2 0 298.390 1.748 10 0 CDAERP COC[C@H](C[NH+]1CCC([N@H+](C)CCCO)CC1)C(C)C ZINC000929659231 630704504 /nfs/dbraw/zinc/70/45/04/630704504.db2.gz ZGWHMKPSEBSKEJ-HNNXBMFYSA-N 2 0 286.460 1.684 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000914069254 631007819 /nfs/dbraw/zinc/00/78/19/631007819.db2.gz VGXUOAAHNDWNON-JHJVBQTASA-N 2 0 270.421 1.109 10 0 CDAERP CC1(C)[C@@H]([NH2+]CCC(=O)N2CCCCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925477370 632720176 /nfs/dbraw/zinc/72/01/76/632720176.db2.gz QEWDSZUVIGIKNM-KBMXLJTQSA-N 2 0 293.455 1.755 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000925346181 633194514 /nfs/dbraw/zinc/19/45/14/633194514.db2.gz RUZORLPBGQHEKJ-ZIAGYGMSSA-N 2 0 296.459 1.595 10 0 CDAERP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cc[nH]c(=O)c2)C[C@@H](C)O1 ZINC000921758662 633273351 /nfs/dbraw/zinc/27/33/51/633273351.db2.gz DGUPJJMWKCLJIC-ZIAGYGMSSA-N 2 0 293.411 1.766 10 0 CDAERP CCCC[N@@H+]1CC[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001670691674 1158693740 /nfs/dbraw/zinc/69/37/40/1158693740.db2.gz LIYALQSNHNIIEB-KGLIPLIRSA-N 2 0 267.417 1.319 10 0 CDAERP CC[C@H](C)C[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001691364668 1159037887 /nfs/dbraw/zinc/03/78/87/1159037887.db2.gz FPBRNQTWMINMRI-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP Cc1cc(C[NH2+]CCN(C)C(=O)[C@H]2CCCC[N@@H+]2C)on1 ZINC001691364647 1159038282 /nfs/dbraw/zinc/03/82/82/1159038282.db2.gz FADPYCPJLVFYOE-CQSZACIVSA-N 2 0 294.399 1.015 10 0 CDAERP CC1CC[NH+](CC(=O)N(C)CC[NH2+]CCC2CC2)CC1 ZINC001266911034 1158981899 /nfs/dbraw/zinc/98/18/99/1158981899.db2.gz DXGLOBNPFYNLDY-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]C/C=C\Cl ZINC001483010461 1160664886 /nfs/dbraw/zinc/66/48/86/1160664886.db2.gz LPHZQBPIJFQDQX-GSKFCLBISA-N 2 0 299.846 1.874 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001691623096 1160721592 /nfs/dbraw/zinc/72/15/92/1160721592.db2.gz LIQZMHIECDLPMV-OWCLPIDISA-N 2 0 295.471 1.811 10 0 CDAERP CC(C)[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001410304285 1161919353 /nfs/dbraw/zinc/91/93/53/1161919353.db2.gz GEGJCFDHNGXJPP-ZFWWWQNUSA-N 2 0 281.444 1.563 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001630756344 1166228910 /nfs/dbraw/zinc/22/89/10/1166228910.db2.gz XSNDIWUYCMDQER-OLZOCXBDSA-N 2 0 267.417 1.175 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@](C)(C[NH2+]C/C=C\Cl)C1 ZINC001671779823 1167062499 /nfs/dbraw/zinc/06/24/99/1167062499.db2.gz NFYMIIJJGWVZSE-HJHHMULASA-N 2 0 287.835 1.519 10 0 CDAERP C[C@H](O)C[N@H+](C)CCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001566454347 1168284738 /nfs/dbraw/zinc/28/47/38/1168284738.db2.gz RTPRQWHBZCUSTE-AWEZNQCLSA-N 2 0 299.459 1.070 10 0 CDAERP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C4CC4)CC3)[C@@H]2C1 ZINC001649359502 1169237021 /nfs/dbraw/zinc/23/70/21/1169237021.db2.gz XULAPAUGLSCMED-IMJJTQAJSA-N 2 0 291.439 1.317 10 0 CDAERP Cc1cc(C[NH2+]CC[C@H](C)NC(=O)C[NH+]2CCCC2)on1 ZINC001568710538 1169440985 /nfs/dbraw/zinc/44/09/85/1169440985.db2.gz NPRTUPMGTQCIMT-LBPRGKRZSA-N 2 0 294.399 1.063 10 0 CDAERP CCN(CC[NH2+]CC1CCCCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001568797401 1169479154 /nfs/dbraw/zinc/47/91/54/1169479154.db2.gz FIPRTUMCEFCTCK-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP CCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001569824133 1170007002 /nfs/dbraw/zinc/00/70/02/1170007002.db2.gz NJUMPCJFRKEPKH-GJZGRUSLSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[NH2+]C[C@H]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001571129439 1170338471 /nfs/dbraw/zinc/33/84/71/1170338471.db2.gz HOJXOIPFFHDBHK-SHTZXODSSA-N 2 0 293.455 1.757 10 0 CDAERP Cc1nccn1CCCC[NH2+]C1(CO)CCSCC1 ZINC001654694299 1171631406 /nfs/dbraw/zinc/63/14/06/1171631406.db2.gz DWWBNDULVPUBFD-UHFFFAOYSA-N 2 0 283.441 1.819 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001661426545 1172388641 /nfs/dbraw/zinc/38/86/41/1172388641.db2.gz BXWMBCLPLQYFEF-JYJNAYRXSA-N 2 0 291.439 1.531 10 0 CDAERP CCCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001662648820 1172574849 /nfs/dbraw/zinc/57/48/49/1172574849.db2.gz AYFKXYRQZQWZFJ-HUUCEWRRSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[NH2+][C@H](CC)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001665827989 1173068996 /nfs/dbraw/zinc/06/89/96/1173068996.db2.gz HCBHYXDMZOXWRZ-CYBMUJFWSA-N 2 0 269.433 1.755 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+](C)C ZINC001666982898 1173216169 /nfs/dbraw/zinc/21/61/69/1173216169.db2.gz ODMFXQFUJVXYPA-VXGBXAGGSA-N 2 0 261.385 1.123 10 0 CDAERP C[C@@H](CC[NH2+]Cc1cncc(F)c1)NC(=O)CC[NH+](C)C ZINC001668198717 1173380286 /nfs/dbraw/zinc/38/02/86/1173380286.db2.gz XWNCSVLBWDRXEW-LBPRGKRZSA-N 2 0 296.390 1.157 10 0 CDAERP CC/C=C\CC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001669183098 1173515037 /nfs/dbraw/zinc/51/50/37/1173515037.db2.gz LIGRCJWSEUQCQA-PFSYPRGQSA-N 2 0 279.428 1.556 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N(C)CCC[NH2+]CC2CCC2)CC[N@@H+]1C ZINC001670223997 1173664032 /nfs/dbraw/zinc/66/40/32/1173664032.db2.gz ZJOYPVVDLGFSNQ-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001672286533 1173763513 /nfs/dbraw/zinc/76/35/13/1173763513.db2.gz IYKXWEPTYQMQSV-KGLIPLIRSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]CC1CCC1 ZINC001674721560 1173998077 /nfs/dbraw/zinc/99/80/77/1173998077.db2.gz IQAAJEKDHHOSFS-QWHCGFSZSA-N 2 0 269.433 1.611 10 0 CDAERP CCCC[C@@H](C[NH2+]CC)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001675222353 1174085331 /nfs/dbraw/zinc/08/53/31/1174085331.db2.gz JMNJNWOMFDCWHZ-HZSPNIEDSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@H](CCC[NH2+]C/C=C\Cl)NC(=O)C12CC[NH+](CC1)C2 ZINC001676005682 1174172383 /nfs/dbraw/zinc/17/23/83/1174172383.db2.gz MDCFJXPFLVGPBP-RBWDJNPFSA-N 2 0 299.846 1.709 10 0 CDAERP CC(C)[N@H+]1CC=C(CNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001677616346 1174378919 /nfs/dbraw/zinc/37/89/19/1174378919.db2.gz LTLIQJLQTTWVBK-UHFFFAOYSA-N 2 0 293.455 1.875 10 0 CDAERP CC(C)OCCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001689314753 1175144548 /nfs/dbraw/zinc/14/45/48/1175144548.db2.gz JZQOXVJMOPZOSD-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]C/C=C/Cl)C1 ZINC001690730890 1175557705 /nfs/dbraw/zinc/55/77/05/1175557705.db2.gz VVNQHVLDSVJUDT-KMEUXCNSSA-N 2 0 299.846 1.661 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCCCCF ZINC001692384331 1175756418 /nfs/dbraw/zinc/75/64/18/1175756418.db2.gz JBKUEXRSFDBWJO-GJZGRUSLSA-N 2 0 299.434 1.752 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H](CC[NH2+]CC2CC2)C1 ZINC001698682639 1175893641 /nfs/dbraw/zinc/89/36/41/1175893641.db2.gz LTOKUICTNTVZOK-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP CCCC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001698890072 1175978327 /nfs/dbraw/zinc/97/83/27/1175978327.db2.gz CSSWRMAWMQRRTA-LSDHHAIUSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CC[NH2+]C(C)C)CC[N@@H+]1C ZINC001699102562 1176093942 /nfs/dbraw/zinc/09/39/42/1176093942.db2.gz NWPLRWKFJJFTTN-MELADBBJSA-N 2 0 269.433 1.610 10 0 CDAERP CC(C)[C@H](C(=O)NC/C=C/C[NH2+]CC1CC1)[NH+]1CCCC1 ZINC001699346384 1176285157 /nfs/dbraw/zinc/28/51/57/1176285157.db2.gz UEXQYMPUVYHMNR-QDLOVBKTSA-N 2 0 293.455 1.779 10 0 CDAERP C[C@H](C[NH2+]C/C=C\Cl)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001699375779 1176332245 /nfs/dbraw/zinc/33/22/45/1176332245.db2.gz LDNBWJPAWAVLSJ-VFBPMIHOSA-N 2 0 287.835 1.564 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001699951191 1176693762 /nfs/dbraw/zinc/69/37/62/1176693762.db2.gz GGSXKGXMKPZSMI-CVEARBPZSA-N 2 0 293.455 1.875 10 0 CDAERP CC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001699970214 1176702381 /nfs/dbraw/zinc/70/23/81/1176702381.db2.gz AUKHBLXJNJNSTK-QWHCGFSZSA-N 2 0 255.406 1.032 10 0 CDAERP CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001700062175 1176737055 /nfs/dbraw/zinc/73/70/55/1176737055.db2.gz JUJPBLKDYKCABB-CABCVRRESA-N 2 0 281.444 1.707 10 0 CDAERP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001700271099 1176826408 /nfs/dbraw/zinc/82/64/08/1176826408.db2.gz IGQIGYBGFVVUMX-CGFBPQRUSA-N 2 0 293.455 1.875 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001700356586 1176868843 /nfs/dbraw/zinc/86/88/43/1176868843.db2.gz IUSFUZDLDHYEMP-HNNXBMFYSA-N 2 0 281.444 1.827 10 0 CDAERP CCC[N@@H+]1CCCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001700619007 1177038039 /nfs/dbraw/zinc/03/80/39/1177038039.db2.gz FCCUEORVHFCWIR-UHFFFAOYSA-N 2 0 267.417 1.273 10 0 CDAERP CC[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)CC1(C)C ZINC001700943914 1177204186 /nfs/dbraw/zinc/20/41/86/1177204186.db2.gz BVIHUYAFGYJCKI-CYBMUJFWSA-N 2 0 269.433 1.565 10 0 CDAERP CCCC[N@H+]1CC=C(CNC(=O)CCC[NH+](C)C)CC1 ZINC001701055425 1177257154 /nfs/dbraw/zinc/25/71/54/1177257154.db2.gz HCGBDEVHXCPVPH-UHFFFAOYSA-N 2 0 281.444 1.877 10 0 CDAERP CCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001707063935 1177935645 /nfs/dbraw/zinc/93/56/45/1177935645.db2.gz TVAZLKVMYRZMOV-CABCVRRESA-N 2 0 281.444 1.661 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC2CC2)[C@@H]1C ZINC001707265183 1177986019 /nfs/dbraw/zinc/98/60/19/1177986019.db2.gz YNQYTHPOKGXSOA-OCCSQVGLSA-N 2 0 267.417 1.317 10 0 CDAERP C[N@H+](CCCF)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001707398357 1178019362 /nfs/dbraw/zinc/01/93/62/1178019362.db2.gz NXEKMMMDCPJMMQ-ZDUSSCGKSA-N 2 0 273.396 1.268 10 0 CDAERP CC[N@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)CC(C)C ZINC001707472253 1178069623 /nfs/dbraw/zinc/06/96/23/1178069623.db2.gz KGHNGSQAGXOXQL-OAHLLOKOSA-N 2 0 283.460 1.812 10 0 CDAERP C[NH+](C)CCC(=O)NCCC[N@H+](C)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001712969239 1178276714 /nfs/dbraw/zinc/27/67/14/1178276714.db2.gz SHCTVSXGBXSPOT-OAGGEKHMSA-N 2 0 295.471 1.812 10 0 CDAERP CC(C)CC[N@H+](C)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001712969461 1178276967 /nfs/dbraw/zinc/27/69/67/1178276967.db2.gz BVNGTCURZQQYQD-UHFFFAOYSA-N 2 0 283.460 1.812 10 0 CDAERP CC1CC[NH+](CC(=O)NCCC[N@H+](C)CCC2CC2)CC1 ZINC001712978576 1178280517 /nfs/dbraw/zinc/28/05/17/1178280517.db2.gz NSYSKRVNRMYWQW-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)c1nc(C[NH2+]CCCN2CC[NH+](C)CC2)cs1 ZINC000236844406 1178442244 /nfs/dbraw/zinc/44/22/44/1178442244.db2.gz SCQQWKFRXICTFB-UHFFFAOYSA-N 2 0 296.484 1.994 10 0 CDAERP CC[C@@H](F)C[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001713776095 1178747708 /nfs/dbraw/zinc/74/77/08/1178747708.db2.gz YZZXKYNITIOLGZ-UONOGXRCSA-N 2 0 299.434 1.657 10 0 CDAERP O=C(CCc1c[nH]cn1)N[C@@H]1CC[N@@H+](CCCCCF)C1 ZINC001713824693 1178775903 /nfs/dbraw/zinc/77/59/03/1178775903.db2.gz YTACGMSYKFPVNQ-CQSZACIVSA-N 2 0 296.390 1.673 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C[NH2+]CCF)C1 ZINC001714094117 1178969479 /nfs/dbraw/zinc/96/94/79/1178969479.db2.gz WROIAYMQOJMXAS-CYBMUJFWSA-N 2 0 273.396 1.124 10 0 CDAERP CC(C)C[NH2+][C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001714262940 1179053505 /nfs/dbraw/zinc/05/35/05/1179053505.db2.gz XRJGXOMXNBUCHZ-CYBMUJFWSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CCC1=CCCCC1 ZINC001714270606 1179057665 /nfs/dbraw/zinc/05/76/65/1179057665.db2.gz RGMDTODHIRFBBR-AWEZNQCLSA-N 2 0 281.444 1.923 10 0 CDAERP CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]CCCF)[NH+]1CCCC1 ZINC001714310582 1179079384 /nfs/dbraw/zinc/07/93/84/1179079384.db2.gz VEJHLXGECFWMIM-KBPBESRZSA-N 2 0 287.423 1.561 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001714621738 1179275499 /nfs/dbraw/zinc/27/54/99/1179275499.db2.gz RAKATHZTTSVXNT-CYBMUJFWSA-N 2 0 253.390 1.073 10 0 CDAERP CC(C)[N@H+](CCCO)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001714824507 1179412726 /nfs/dbraw/zinc/41/27/26/1179412726.db2.gz NOWDACRVDQJDCT-OAHLLOKOSA-N 2 0 299.459 1.070 10 0 CDAERP CC(C)C[C@@H](C[NH2+]C(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001714908458 1179448774 /nfs/dbraw/zinc/44/87/74/1179448774.db2.gz UMOAOZSVNOPVLD-KBPBESRZSA-N 2 0 269.433 1.610 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001715031029 1179519568 /nfs/dbraw/zinc/51/95/68/1179519568.db2.gz LVVSYMOEJSULAD-YIEVGGLXSA-N 2 0 293.455 1.971 10 0 CDAERP CC/C=C/CC[NH2+][C@@H](CC)CNC(=O)C12CC[NH+](CC1)C2 ZINC001715086404 1179546596 /nfs/dbraw/zinc/54/65/96/1179546596.db2.gz RJQONIORKHCNNY-NFAHFFEMSA-N 2 0 293.455 1.923 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NC2(C[NH2+]CCF)CCCC2)CC[N@@H+]1C ZINC001715097550 1179550771 /nfs/dbraw/zinc/55/07/71/1179550771.db2.gz GXPCJAQWWGOFJM-KBPBESRZSA-N 2 0 299.434 1.705 10 0 CDAERP CC(C)C[NH2+]C[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001715271338 1179603451 /nfs/dbraw/zinc/60/34/51/1179603451.db2.gz VVPWXKMNZMEIQL-KBPBESRZSA-N 2 0 269.433 1.326 10 0 CDAERP CC(C)[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001715520542 1179696782 /nfs/dbraw/zinc/69/67/82/1179696782.db2.gz GZKDLNHVVNJTGD-OLZOCXBDSA-N 2 0 255.406 1.219 10 0 CDAERP COCCC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001715520695 1179697563 /nfs/dbraw/zinc/69/75/63/1179697563.db2.gz NHBMLUPTLSRKPZ-OAHLLOKOSA-N 2 0 299.459 1.286 10 0 CDAERP C[C@@H](C[NH2+]CCOC1CCC1)NC(=O)C1([NH+](C)C)CCC1 ZINC001715979487 1179960711 /nfs/dbraw/zinc/96/07/11/1179960711.db2.gz PDFLHUMBZZRAIO-ZDUSSCGKSA-N 2 0 297.443 1.134 10 0 CDAERP C[C@H](C[NH2+]C/C=C\Cl)NC(=O)C[N@H+](C)C1CCC1 ZINC001716400145 1180186416 /nfs/dbraw/zinc/18/64/16/1180186416.db2.gz XHKRGDYOIADQHT-MEQVVJDKSA-N 2 0 273.808 1.318 10 0 CDAERP CCCCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001716921839 1180467178 /nfs/dbraw/zinc/46/71/78/1180467178.db2.gz YFVNKFPRXPYXJQ-GDBMZVCRSA-N 2 0 299.459 1.070 10 0 CDAERP COCCC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001717338554 1180622735 /nfs/dbraw/zinc/62/27/35/1180622735.db2.gz WHDPVTKPOGFZDG-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP COCCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001717460075 1180679790 /nfs/dbraw/zinc/67/97/90/1180679790.db2.gz YRKHUZUUAOFMOR-CQSZACIVSA-N 2 0 299.459 1.049 10 0 CDAERP CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001717649357 1180773173 /nfs/dbraw/zinc/77/31/73/1180773173.db2.gz IJVLEEODNVXCGQ-YHUYYLMFSA-N 2 0 293.455 1.898 10 0 CDAERP CCC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001717660782 1180782298 /nfs/dbraw/zinc/78/22/98/1180782298.db2.gz CCAJUMNXLDHEQO-STQMWFEESA-N 2 0 255.406 1.365 10 0 CDAERP CC[NH2+]C1CC(N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001717994726 1180961775 /nfs/dbraw/zinc/96/17/75/1180961775.db2.gz QLSURNKPQFERGE-ROKHWSDSSA-N 2 0 267.417 1.460 10 0 CDAERP CCC[N@H+]1CC=C(CNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001718027928 1180974226 /nfs/dbraw/zinc/97/42/26/1180974226.db2.gz AFAVJZWKWGTRAN-AWEZNQCLSA-N 2 0 267.417 1.485 10 0 CDAERP CN(CCC[NH2+]CCF)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001723053084 1181515016 /nfs/dbraw/zinc/51/50/16/1181515016.db2.gz UPSVLBPJLBDWJF-ZIAGYGMSSA-N 2 0 285.407 1.411 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C[NH2+]CCF)C2CC2)CC[N@@H+]1C ZINC001723299638 1181533594 /nfs/dbraw/zinc/53/35/94/1181533594.db2.gz GKNQNLHTQAVPAE-BFHYXJOUSA-N 2 0 285.407 1.171 10 0 CDAERP CCC[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001724613803 1181703543 /nfs/dbraw/zinc/70/35/43/1181703543.db2.gz ZLHBWGCJLKEFSP-UONOGXRCSA-N 2 0 279.428 1.176 10 0 CDAERP COCC[N@H+](CC1CC[NH2+]CC1)[C@H]1CCCSC1 ZINC000261629154 1181740609 /nfs/dbraw/zinc/74/06/09/1181740609.db2.gz CJIWILRUZUCICK-AWEZNQCLSA-N 2 0 272.458 1.830 10 0 CDAERP CC[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001724782441 1181751756 /nfs/dbraw/zinc/75/17/56/1181751756.db2.gz CORWQENUFNNPDN-ZDUSSCGKSA-N 2 0 267.417 1.509 10 0 CDAERP CCCC[NH2+]CC1CC(NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001725067755 1181842598 /nfs/dbraw/zinc/84/25/98/1181842598.db2.gz VXZUOZGUEJSSJT-YMAMQOFZSA-N 2 0 281.444 1.755 10 0 CDAERP CCOCC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CC)[C@H]1C ZINC001725635167 1182079594 /nfs/dbraw/zinc/07/95/94/1182079594.db2.gz QIZIWGMDAPHWAQ-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@H]2CC[C@H](C[NH2+]CCF)C2)CCC1 ZINC001725635614 1182079650 /nfs/dbraw/zinc/07/96/50/1182079650.db2.gz JFPYRFYSCJFDRZ-STQMWFEESA-N 2 0 285.407 1.315 10 0 CDAERP CCC[N@H+](C)CCCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001731247495 1182274417 /nfs/dbraw/zinc/27/44/17/1182274417.db2.gz FZKFYFKMMPYLDQ-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP C[C@H](C(=O)N1CC[C@@H](C[NH2+]CCF)C1)[NH+]1CCCCCC1 ZINC001731675744 1182513604 /nfs/dbraw/zinc/51/36/04/1182513604.db2.gz MOFKVLKQADMIDO-CABCVRRESA-N 2 0 299.434 1.659 10 0 CDAERP CN(CC[NH2+]CC1CC2(CCC2)C1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001731898223 1182664528 /nfs/dbraw/zinc/66/45/28/1182664528.db2.gz LQAPUAHWPIWLEC-HNNXBMFYSA-N 2 0 293.455 1.709 10 0 CDAERP C[C@@H](F)CC[NH2+]CCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001731923203 1182679683 /nfs/dbraw/zinc/67/96/83/1182679683.db2.gz UYWINAFFZDCZQW-CQSZACIVSA-N 2 0 299.434 1.659 10 0 CDAERP C[NH+]1CCC(C(=O)NCC2C[NH+](CCCCCF)C2)CC1 ZINC001732133959 1182793358 /nfs/dbraw/zinc/79/33/58/1182793358.db2.gz NRPGJUBYIRFMEJ-UHFFFAOYSA-N 2 0 299.434 1.516 10 0 CDAERP CCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001732313636 1182903520 /nfs/dbraw/zinc/90/35/20/1182903520.db2.gz QRRIKFPPFCMLAG-KKUMJFAQSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H](CNC(=O)C12CCC[NH+]1CCC2)C[NH2+]CCC1CC1 ZINC001732349767 1182921465 /nfs/dbraw/zinc/92/14/65/1182921465.db2.gz SUIDHKRMFHOKDU-AWEZNQCLSA-N 2 0 293.455 1.757 10 0 CDAERP CCCCC[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001732386895 1182941943 /nfs/dbraw/zinc/94/19/43/1182941943.db2.gz UHUGWWQUEZCCDI-HNNXBMFYSA-N 2 0 297.443 1.089 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001732486230 1182986718 /nfs/dbraw/zinc/98/67/18/1182986718.db2.gz KDUWPMWCTFEPSK-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CCF ZINC001732620455 1183051799 /nfs/dbraw/zinc/05/17/99/1183051799.db2.gz OWYBJQZOFFRDGF-QWHCGFSZSA-N 2 0 273.396 1.172 10 0 CDAERP CC/C=C/CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001732754416 1183109804 /nfs/dbraw/zinc/10/98/04/1183109804.db2.gz QVRKKLJDTLBUIL-ICWYTKJFSA-N 2 0 281.444 1.779 10 0 CDAERP CCC[NH2+]CCN(CC)C(=O)C12CCC[NH+](CCC1)C2 ZINC001732780152 1183122912 /nfs/dbraw/zinc/12/29/12/1183122912.db2.gz GILDWWKCTOXCFC-UHFFFAOYSA-N 2 0 281.444 1.711 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC[C@@H](C)F ZINC001732940558 1183191402 /nfs/dbraw/zinc/19/14/02/1183191402.db2.gz BIFDUZFMZFZLBK-JBZXTQMFSA-N 2 0 299.434 1.871 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]CC[C@H]1CCCO1)[NH+](C)C ZINC001732970354 1183211514 /nfs/dbraw/zinc/21/15/14/1183211514.db2.gz CJUMXHHYSODIGS-RBSFLKMASA-N 2 0 299.459 1.236 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CCC[NH2+]C(C)C)C1 ZINC001733121710 1183297795 /nfs/dbraw/zinc/29/77/95/1183297795.db2.gz JVXVRTORTLDNBS-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001733352765 1183406910 /nfs/dbraw/zinc/40/69/10/1183406910.db2.gz RRAMNSWLEGUTIA-KBPBESRZSA-N 2 0 267.417 1.319 10 0 CDAERP CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001734208354 1183691508 /nfs/dbraw/zinc/69/15/08/1183691508.db2.gz JRQWFPAGNIHVCQ-ZQDZILKHSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C[NH2+]CCF)C1CC1 ZINC001734300231 1183720793 /nfs/dbraw/zinc/72/07/93/1183720793.db2.gz IHIAQDWLZJSTEU-LSDHHAIUSA-N 2 0 299.434 1.655 10 0 CDAERP CCCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H]1C ZINC001734399736 1183763108 /nfs/dbraw/zinc/76/31/08/1183763108.db2.gz OUVFZQBPEFSXCH-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N[C@@H]3CCC[C@H]3[NH+](C)C)C[N@@H+]2C1 ZINC001772435012 1187229057 /nfs/dbraw/zinc/22/90/57/1187229057.db2.gz GGNVWQMMLOXBFH-IBEHDNSVSA-N 2 0 293.455 1.706 10 0 CDAERP C[N@H+](Cc1cnn(-c2ccccc2)n1)C1CCC([NH3+])CC1 ZINC000091844361 697652662 /nfs/dbraw/zinc/65/26/62/697652662.db2.gz BUONLWBSOIMHCM-UHFFFAOYSA-N 2 0 285.395 1.969 10 0 CDAERP COCCCC[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923450576 697666894 /nfs/dbraw/zinc/66/68/94/697666894.db2.gz WCPVEBMLIBVALJ-ZDUSSCGKSA-N 2 0 256.390 1.243 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CC[C@@H](C2CC2)O1 ZINC000722315387 697694929 /nfs/dbraw/zinc/69/49/29/697694929.db2.gz WSISSJGZVAWXBL-MJBXVCDLSA-N 2 0 256.390 1.288 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+][C@@H]2[C@@H](C)COC[C@H]2C)CC1 ZINC000924657152 697703616 /nfs/dbraw/zinc/70/36/16/697703616.db2.gz GBBWDGOUQPZHJS-ZSHCYNCHSA-N 2 0 283.460 1.275 10 0 CDAERP O=C(CC[C@H]1CCC[NH2+]C1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000857005123 697816545 /nfs/dbraw/zinc/81/65/45/697816545.db2.gz WDVPSLSPXZKSPN-ZBFHGGJFSA-N 2 0 279.428 1.368 10 0 CDAERP CCC[C@@H](O)CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000922817152 697878501 /nfs/dbraw/zinc/87/85/01/697878501.db2.gz MPSQTRNRYJZODM-OAHLLOKOSA-N 2 0 274.368 1.908 10 0 CDAERP CCOC(=O)N1CCC([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000848558120 697882683 /nfs/dbraw/zinc/88/26/83/697882683.db2.gz NKMMDZPTMXTKFK-XBXGTLAGSA-N 2 0 283.416 1.537 10 0 CDAERP COc1ccc([C@H](CO)C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925684721 697892460 /nfs/dbraw/zinc/89/24/60/697892460.db2.gz CNYYCXHTEARLQV-NUEKZKHPSA-N 2 0 290.407 1.631 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CC[NH2+]CC1CC1 ZINC000717156672 697900246 /nfs/dbraw/zinc/90/02/46/697900246.db2.gz RDFLXGLWPMKJTG-CQSZACIVSA-N 2 0 267.417 1.319 10 0 CDAERP [NH3+]CC1(O)CC[NH+](CCSC(F)(F)F)CC1 ZINC000397005262 697922003 /nfs/dbraw/zinc/92/20/03/697922003.db2.gz KMZIVJYLYHGWCP-UHFFFAOYSA-N 2 0 258.309 1.025 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCC12CCOCC2 ZINC000925804066 697929405 /nfs/dbraw/zinc/92/94/05/697929405.db2.gz YXVQAHFAQULCMK-MGPQQGTHSA-N 2 0 252.402 1.781 10 0 CDAERP CCC[N@@H+]1CC[C@H](CN[C@@H]2C[NH+]3C[C@@H]2CCC3)C1 ZINC000924751312 697946047 /nfs/dbraw/zinc/94/60/47/697946047.db2.gz KFDIHAORHWGKLX-QLFBSQMISA-N 2 0 251.418 1.402 10 0 CDAERP CC1(C)[C@@H]([NH2+]C[C@@H](O)COCC2CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925617053 697961884 /nfs/dbraw/zinc/96/18/84/697961884.db2.gz POSUWBNVHFYXQB-KBXIAJHMSA-N 2 0 282.428 1.140 10 0 CDAERP CCc1noc([C@@H]2CC[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])C2)n1 ZINC000925872444 697975958 /nfs/dbraw/zinc/97/59/58/697975958.db2.gz FZHFSIMVGYBAOQ-YFKTTZPYSA-N 2 0 266.389 1.984 10 0 CDAERP C[N@H+](C[C@H]1CC2(CO1)CCOCC2)CC(C)(C)C[NH3+] ZINC000712696038 697985541 /nfs/dbraw/zinc/98/55/41/697985541.db2.gz UBMKUDFQTVWXDU-CYBMUJFWSA-N 2 0 270.417 1.489 10 0 CDAERP CN(C)Cc1cnc(C[NH2+][C@@H]2CCCN(C)C2)s1 ZINC000796275993 698020055 /nfs/dbraw/zinc/02/00/55/698020055.db2.gz RCKRMOHVJNAKQD-LLVKDONJSA-N 2 0 268.430 1.389 10 0 CDAERP CC(=O)NCCCCC[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000929656035 698034805 /nfs/dbraw/zinc/03/48/05/698034805.db2.gz BJWGCJYRJJJOFT-UHFFFAOYSA-N 2 0 299.459 1.071 10 0 CDAERP C[C@@H]1CN(CCOC(=O)CC[C@H]2CCCC[N@@H+]2C)CCO1 ZINC000803856361 698045489 /nfs/dbraw/zinc/04/54/89/698045489.db2.gz PPYUZKLVVJFIRY-HUUCEWRRSA-N 2 0 298.427 1.515 10 0 CDAERP Cc1cc(N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)cc[nH+]1 ZINC000720396762 698081826 /nfs/dbraw/zinc/08/18/26/698081826.db2.gz HXTWFGLWGGPEQN-ZIAGYGMSSA-N 2 0 263.410 1.804 10 0 CDAERP C[NH+](C)C[C@@H]1CN(c2ccnc(Cl)c2)C[C@H]1C[NH+](C)C ZINC000705939302 698089083 /nfs/dbraw/zinc/08/90/83/698089083.db2.gz YEAOGBSHESDIKA-CHWSQXEVSA-N 2 0 296.846 1.911 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCOCC(F)F)C1 ZINC000925648773 698208279 /nfs/dbraw/zinc/20/82/79/698208279.db2.gz FYMAHBVVXXVCKX-VHSXEESVSA-N 2 0 250.333 1.764 10 0 CDAERP C[NH2+]CC1CC[NH+](C[C@@H](O)CC2CCCC2)CC1 ZINC000232148439 698254578 /nfs/dbraw/zinc/25/45/78/698254578.db2.gz LCEQRFMBCSXTFP-HNNXBMFYSA-N 2 0 254.418 1.859 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000705827756 698312337 /nfs/dbraw/zinc/31/23/37/698312337.db2.gz CJKUEACEAHFOOF-OAGGEKHMSA-N 3 0 284.492 1.031 10 0 CDAERP C[C@H]1C[N@H+](CC(=O)NCCC2CCCCC2)CC[C@@H]1C[NH3+] ZINC000923500271 698324321 /nfs/dbraw/zinc/32/43/21/698324321.db2.gz WFOWNKBWVTUDLM-GOEBONIOSA-N 2 0 295.471 1.990 10 0 CDAERP C[C@@H]1C[C@@H]1NC(=[NH2+])NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000864464372 698328459 /nfs/dbraw/zinc/32/84/59/698328459.db2.gz BBQFNJPBLVAILR-WXHSDQCUSA-N 2 0 250.390 1.526 10 0 CDAERP Cc1ccc(C(=O)NCC[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000133761982 698330531 /nfs/dbraw/zinc/33/05/31/698330531.db2.gz QLTNAGODXNJZSB-HNNXBMFYSA-N 2 0 275.396 1.457 10 0 CDAERP C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2)CC[C@H]1C[NH3+] ZINC000923498968 698336849 /nfs/dbraw/zinc/33/68/49/698336849.db2.gz JKZCIVSUMVKORN-ILXRZTDVSA-N 2 0 278.396 1.343 10 0 CDAERP Cc1c(C[NH2+]CCN2CCC([NH+](C)C)CC2)ccnc1F ZINC000862296361 698356249 /nfs/dbraw/zinc/35/62/49/698356249.db2.gz LLNSQMHDNLENED-UHFFFAOYSA-N 2 0 294.418 1.645 10 0 CDAERP C[C@@H]1CN(Cc2nccn2C(F)F)C[C@H]1CC[NH3+] ZINC000723886547 698427056 /nfs/dbraw/zinc/42/70/56/698427056.db2.gz KRBLHHJJVVIQLQ-NXEZZACHSA-N 2 0 258.316 1.695 10 0 CDAERP CCN(C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000855361672 698427322 /nfs/dbraw/zinc/42/73/22/698427322.db2.gz GTDMBXFTGYDAHS-CZUORRHYSA-N 2 0 299.434 1.752 10 0 CDAERP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000925834122 698480725 /nfs/dbraw/zinc/48/07/25/698480725.db2.gz GDLJKPDJEVCMKF-HTQZYQBOSA-N 2 0 264.295 1.654 10 0 CDAERP C[N@@H+](CC(=O)N1CCCC1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000719268174 698530709 /nfs/dbraw/zinc/53/07/09/698530709.db2.gz CZMQGQDOWPKKES-AGUYFDCRSA-N 2 0 265.401 1.071 10 0 CDAERP COC[C@H]([NH2+][C@H](C)CCCC[NH3+])[C@H]1CCCOC1 ZINC000925781259 698541988 /nfs/dbraw/zinc/54/19/88/698541988.db2.gz XPQUFHAPJKBVMV-RDBSUJKOSA-N 2 0 258.406 1.535 10 0 CDAERP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925851622 698616960 /nfs/dbraw/zinc/61/69/60/698616960.db2.gz MQIYMKZCTLZTFO-JQWIXIFHSA-N 2 0 292.383 1.054 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@H]1NC[C@H]1C[NH2+]CCC1(F)F ZINC000925776496 698652393 /nfs/dbraw/zinc/65/23/93/698652393.db2.gz KTLIGQOMADMYEN-QJPTWQEYSA-N 2 0 261.360 1.338 10 0 CDAERP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C[C@H](O)CC1CCCC1 ZINC000923369230 698686967 /nfs/dbraw/zinc/68/69/67/698686967.db2.gz IXWSWDYIFJIJKR-KGLIPLIRSA-N 2 0 254.418 1.905 10 0 CDAERP C[C@H](CCc1ccco1)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925811796 698715230 /nfs/dbraw/zinc/71/52/30/698715230.db2.gz SBWPMHGEEACCTI-CYBMUJFWSA-N 2 0 265.401 1.613 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+]C2[C@H](C)COC[C@H]2C)CC1 ZINC000924657151 698730634 /nfs/dbraw/zinc/73/06/34/698730634.db2.gz GBBWDGOUQPZHJS-HUUCEWRRSA-N 2 0 283.460 1.275 10 0 CDAERP CC/C(C)=C(\C)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870021185 698748061 /nfs/dbraw/zinc/74/80/61/698748061.db2.gz BXWAQJNQOFUDGS-GHAJFHELSA-N 2 0 295.471 1.931 10 0 CDAERP CO[C@H](C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)[C@H]1CCOC1 ZINC000925714740 698762239 /nfs/dbraw/zinc/76/22/39/698762239.db2.gz VXRQXSCHWOTCHH-VYDRJRHOSA-N 2 0 282.428 1.404 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)CC1 ZINC000711191438 698783271 /nfs/dbraw/zinc/78/32/71/698783271.db2.gz FJHGQZOVXOURRK-WDNDVIMCSA-N 2 0 252.402 1.611 10 0 CDAERP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000866696969 698803843 /nfs/dbraw/zinc/80/38/43/698803843.db2.gz DZIRXCNIUJQABC-HUUCEWRRSA-N 2 0 270.417 1.380 10 0 CDAERP C[N@@H+]1C[C@@H]2CN(C[C@H](O)c3cccc(F)c3)C[C@]2(C)C1 ZINC000933742162 698804076 /nfs/dbraw/zinc/80/40/76/698804076.db2.gz FSXHHBDESCAZEW-KBMXLJTQSA-N 2 0 278.371 1.743 10 0 CDAERP C[N@H+](CCCOc1ccccc1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923304629 698808621 /nfs/dbraw/zinc/80/86/21/698808621.db2.gz BUKGUFKTNAKSBV-MRXNPFEDSA-N 2 0 290.407 1.766 10 0 CDAERP C[N@@H+]1CCN(C(=O)[C@H]2CCC[C@H]2C[NH3+])CCC1(C)C ZINC000712678415 698812462 /nfs/dbraw/zinc/81/24/62/698812462.db2.gz NUQAIEBOQTUGCX-STQMWFEESA-N 2 0 267.417 1.304 10 0 CDAERP c1ccc([C@@H]2CC[N@@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)C2)cc1 ZINC000923302802 698812989 /nfs/dbraw/zinc/81/29/89/698812989.db2.gz DNRGIKBKBJICAH-CVEARBPZSA-N 2 0 272.392 1.854 10 0 CDAERP C1=CO[C@H](C[NH2+]CCCC[NH+]2CCOCC2)CC1 ZINC000194214940 698819299 /nfs/dbraw/zinc/81/92/99/698819299.db2.gz CHXFEFDEYFJRJU-AWEZNQCLSA-N 2 0 254.374 1.381 10 0 CDAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CC1CC=CC1)CC2 ZINC000923446700 698821688 /nfs/dbraw/zinc/82/16/88/698821688.db2.gz NBLOGVMZUWISQO-AWEZNQCLSA-N 2 0 250.386 1.782 10 0 CDAERP COc1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)sn1 ZINC000923492087 698839959 /nfs/dbraw/zinc/83/99/59/698839959.db2.gz VSLISIAPTMAXPJ-UWVGGRQHSA-N 2 0 255.387 1.568 10 0 CDAERP COc1ccc([C@H](C[NH3+])C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923494987 698843046 /nfs/dbraw/zinc/84/30/46/698843046.db2.gz RIRLZRBMDWYBGD-VNQPRFMTSA-N 2 0 291.439 1.654 10 0 CDAERP CCOC(=O)C1=CC[C@H]([NH2+][C@@H](C)CCCC[NH3+])C1 ZINC000863544462 698860561 /nfs/dbraw/zinc/86/05/61/698860561.db2.gz UYDMPCIWFQPRKZ-AAEUAGOBSA-N 2 0 254.374 1.745 10 0 CDAERP C[C@H]1C[C@H]1NC(=[NH2+])NCCC[NH+]1CCCCCC1 ZINC000864452435 698891716 /nfs/dbraw/zinc/89/17/16/698891716.db2.gz QGELZWCQVHWUED-QWHCGFSZSA-N 2 0 252.406 1.775 10 0 CDAERP C[C@@H]1C[C@@H](C[NH+]2CCC(N3CCCOCC3)CC2)CCO1 ZINC000931287928 698895390 /nfs/dbraw/zinc/89/53/90/698895390.db2.gz XHHPACGUQDEDIF-CVEARBPZSA-N 2 0 296.455 1.988 10 0 CDAERP Fc1ccc(OCCCN2CC[NH2+]CC[NH2+]CC2)cc1 ZINC000923464239 698914075 /nfs/dbraw/zinc/91/40/75/698914075.db2.gz LIJGRTYMIJVIIZ-UHFFFAOYSA-N 2 0 281.375 1.089 10 0 CDAERP C[C@@H]1CC2(CC([NH2+]CCOCC[NH+](C)C)C2)CO1 ZINC000926253552 698916016 /nfs/dbraw/zinc/91/60/16/698916016.db2.gz GIHKFZOCWRWVEQ-IYXRBSQSSA-N 2 0 256.390 1.112 10 0 CDAERP CC1(C)CCC[C@@H]1[C@H]1CC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923384970 698920535 /nfs/dbraw/zinc/92/05/35/698920535.db2.gz RDSVPAUFLSIQMO-RMEBNNNOSA-N 2 0 266.429 1.985 10 0 CDAERP CCO[C@@H]1C[C@H](O)C12CC[NH+](CCC[NH2+]C1CC1)CC2 ZINC000923314609 698954127 /nfs/dbraw/zinc/95/41/27/698954127.db2.gz WPIRGEPOSNAJRH-LSDHHAIUSA-N 2 0 282.428 1.380 10 0 CDAERP CO[C@H]1C[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000714751374 698964263 /nfs/dbraw/zinc/96/42/63/698964263.db2.gz HKPLWDYMGIXPDL-BTFPBAQTSA-N 2 0 252.402 1.922 10 0 CDAERP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261894125 698978971 /nfs/dbraw/zinc/97/89/71/698978971.db2.gz VNKRFMFQEWRMHF-LJISPDSOSA-N 2 0 279.428 1.079 10 0 CDAERP Cc1nc(F)ccc1C[NH2+]CCCN(C)CC[NH+](C)C ZINC000857783796 704812760 /nfs/dbraw/zinc/81/27/60/704812760.db2.gz BXGQNVXYYIGMGJ-UHFFFAOYSA-N 2 0 282.407 1.502 10 0 CDAERP COC[C@H](CC(C)C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925811038 704823152 /nfs/dbraw/zinc/82/31/52/704823152.db2.gz QHQHFSMNPUAFPE-AWEZNQCLSA-N 2 0 257.422 1.060 10 0 CDAERP Cc1cc(CC[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)nn1C ZINC000925835840 704838058 /nfs/dbraw/zinc/83/80/58/704838058.db2.gz XESIXRJQNUXCAM-ILXRZTDVSA-N 2 0 276.428 1.637 10 0 CDAERP Cc1nccnc1C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866706286 704852208 /nfs/dbraw/zinc/85/22/08/704852208.db2.gz AWZYFTJEDSZNIH-OAHLLOKOSA-N 2 0 262.401 1.982 10 0 CDAERP [NH3+]C1(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)Cc2ccccc2C1 ZINC000841850774 704865103 /nfs/dbraw/zinc/86/51/03/704865103.db2.gz CXPDPWKWZYFVTE-QGZVFWFLSA-N 2 0 299.418 1.085 10 0 CDAERP CC(C)C[N@@H+](Cc1ccccn1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923432466 704868585 /nfs/dbraw/zinc/86/85/85/704868585.db2.gz CSKHZPISULKWIK-MRXNPFEDSA-N 2 0 289.423 1.918 10 0 CDAERP CC(C)CC[NH+]1CCC([NH2+]CC[C@]2(O)CCOC2)CC1 ZINC000926646399 704868793 /nfs/dbraw/zinc/86/87/93/704868793.db2.gz MKMLWJAPFDBWNN-INIZCTEOSA-N 2 0 284.444 1.628 10 0 CDAERP O=c1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc[nH]1 ZINC000922269238 704879273 /nfs/dbraw/zinc/87/92/73/704879273.db2.gz LDHKGNAORFDRFJ-OAHLLOKOSA-N 2 0 275.396 1.999 10 0 CDAERP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000925834063 704970850 /nfs/dbraw/zinc/97/08/50/704970850.db2.gz VVTYUOLOXFNOER-KSTCHIGDSA-N 2 0 254.374 1.040 10 0 CDAERP C[C@@H]1CCC[C@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925846331 704977150 /nfs/dbraw/zinc/97/71/50/704977150.db2.gz RTDDXQARGXLDNR-HUUCEWRRSA-N 2 0 253.434 1.840 10 0 CDAERP CC1(C)C[C@@H]([NH2+]CCCNC(=O)C2CCC2)C[C@@H]([NH3+])C1 ZINC000925574498 705073274 /nfs/dbraw/zinc/07/32/74/705073274.db2.gz BMNKONHCARNNAH-KGLIPLIRSA-N 2 0 281.444 1.788 10 0 CDAERP C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)[C@@H]1CC[NH2+]C1 ZINC000715570914 705081722 /nfs/dbraw/zinc/08/17/22/705081722.db2.gz GJEXKXMZIQZTCZ-LMRVLLHPSA-N 3 0 253.434 1.837 10 0 CDAERP CC(C)O[C@]1(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CCOC1 ZINC000722342990 705116632 /nfs/dbraw/zinc/11/66/32/705116632.db2.gz CCCGTIQTONCADA-ILXRZTDVSA-N 2 0 270.417 1.643 10 0 CDAERP CC(C)OCC[C@H](O)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000923410372 705181556 /nfs/dbraw/zinc/18/15/56/705181556.db2.gz YGJMNPDQJBLHBX-SOUVJXGZSA-N 2 0 270.417 1.094 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCCCCCC[NH3+])C2 ZINC000863563427 705217211 /nfs/dbraw/zinc/21/72/11/705217211.db2.gz QBKJJNOTUONTQD-GASCZTMLSA-N 3 0 253.434 1.827 10 0 CDAERP CC(C)OC[C@@H](O)C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000715503744 705219230 /nfs/dbraw/zinc/21/92/30/705219230.db2.gz ZVMNOHGEISYQMF-SLTAFYQDSA-N 2 0 272.433 1.625 10 0 CDAERP CC(C)OC[C@H](O)C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000715503742 705241368 /nfs/dbraw/zinc/24/13/68/705241368.db2.gz ZVMNOHGEISYQMF-SHARSMKWSA-N 2 0 272.433 1.625 10 0 CDAERP C[C@H](NC[C@@H](O)c1ccc(F)cn1)C(C)(C)C[NH+](C)C ZINC000819101601 705243639 /nfs/dbraw/zinc/24/36/39/705243639.db2.gz BVXLVJMFGDRYLM-SMDDNHRTSA-N 2 0 283.391 1.820 10 0 CDAERP [NH3+]C1(C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)CCOCC1 ZINC000863541848 705264206 /nfs/dbraw/zinc/26/42/06/705264206.db2.gz PZXQAZBNNDKHBT-IJLUTSLNSA-N 2 0 288.482 1.464 10 0 CDAERP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)C(C)(C)CO)CC1 ZINC000924948227 705269570 /nfs/dbraw/zinc/26/95/70/705269570.db2.gz BMLNEKUKVQVKTD-LSDHHAIUSA-N 2 0 285.476 1.257 10 0 CDAERP O[C@@H](C[NH2+]CCc1ccc(F)cc1)C[NH+]1CCCC1 ZINC000037859759 1165802049 /nfs/dbraw/zinc/80/20/49/1165802049.db2.gz UMIWOYZLFBOTIB-HNNXBMFYSA-N 2 0 266.360 1.415 10 0 CDAERP C[NH+](C)CC1CN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001627883610 1166021340 /nfs/dbraw/zinc/02/13/40/1166021340.db2.gz XUTSCEGSXZXWEU-ZIAGYGMSSA-N 2 0 267.417 1.127 10 0 CDAERP CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)CC[NH+](C)C ZINC001636006434 1166641479 /nfs/dbraw/zinc/64/14/79/1166641479.db2.gz YIQQKUMZRLHDPG-QWHCGFSZSA-N 2 0 257.422 1.419 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001691740030 1166853363 /nfs/dbraw/zinc/85/33/63/1166853363.db2.gz GMCYDDWAIGNDGV-MELADBBJSA-N 2 0 269.433 1.469 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000925808119 850290436 /nfs/dbraw/zinc/29/04/36/850290436.db2.gz YBXNBJLYVKQQFP-AATLWQCWSA-N 2 0 254.296 1.812 10 0 CDAERP C[C@H](CS(C)(=O)=O)[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925887220 848045531 /nfs/dbraw/zinc/04/55/31/848045531.db2.gz VOLKGDJKMJJQLI-YUELXQCFSA-N 2 0 296.436 1.068 10 0 CDAERP COCC[NH2+]C1CC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923386648 848065674 /nfs/dbraw/zinc/06/56/74/848065674.db2.gz CVEFZDKITNVVAV-ZXFUBFMLSA-N 3 0 295.471 1.608 10 0 CDAERP CC(=O)NCCCCC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000929698077 848113770 /nfs/dbraw/zinc/11/37/70/848113770.db2.gz XWLKACJXMDCVMB-INIZCTEOSA-N 2 0 281.444 1.711 10 0 CDAERP C[C@H]1CN(CC(=O)Nc2cccnc2Cl)CC[C@H]1C[NH3+] ZINC000923495398 848115431 /nfs/dbraw/zinc/11/54/31/848115431.db2.gz BUVFFWYTCHKVGT-QWRGUYRKSA-N 2 0 296.802 1.590 10 0 CDAERP C[N@H+](CCCCCC[NH3+])CC(=O)Nc1ccccn1 ZINC000872156366 848123773 /nfs/dbraw/zinc/12/37/73/848123773.db2.gz IOZDPXBTZUQSIO-UHFFFAOYSA-N 2 0 264.373 1.471 10 0 CDAERP CC1(C)[C@H]([NH2+]CCN2CCC([NH3+])CC2)[C@@H]2CCCO[C@@H]21 ZINC000925812384 848128671 /nfs/dbraw/zinc/12/86/71/848128671.db2.gz PIQNSUSPCKJLCB-ZNMIVQPWSA-N 2 0 281.444 1.203 10 0 CDAERP O[C@H](C[NH2+][C@H](C1CC1)[C@H]1CCCOC1)C[NH+]1CCCC1 ZINC000723989949 848300900 /nfs/dbraw/zinc/30/09/00/848300900.db2.gz XVIAWZDSNHFDGK-ARFHVFGLSA-N 2 0 282.428 1.238 10 0 CDAERP Cc1ccc([C@@H](O)C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1 ZINC000923428760 848329899 /nfs/dbraw/zinc/32/98/99/848329899.db2.gz ZGUIWJCMOCFFAM-HRCADAONSA-N 2 0 260.381 1.570 10 0 CDAERP C[C@H]1CC[NH2+][C@@H](C(=O)N2CC[N@H+](C)C(C)(C)CC2)C1 ZINC000712680059 848359107 /nfs/dbraw/zinc/35/91/07/848359107.db2.gz ZHSNKBWENRFJSP-QWHCGFSZSA-N 2 0 267.417 1.317 10 0 CDAERP [NH3+]CCCCCC(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000846700534 848359236 /nfs/dbraw/zinc/35/92/36/848359236.db2.gz XMBPOZXMWHZYOS-ZNMIVQPWSA-N 2 0 297.443 1.393 10 0 CDAERP Cc1noc(CON=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC000871784323 848502227 /nfs/dbraw/zinc/50/22/27/848502227.db2.gz AIQYUXICHQLZFF-FGWVZKOKSA-N 2 0 279.344 1.249 10 0 CDAERP CC(C)C[C@@H](C)N(C)C(=O)CN1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872153679 848551499 /nfs/dbraw/zinc/55/14/99/848551499.db2.gz NNSJMWRAEAIMLY-IJEWVQPXSA-N 2 0 281.444 1.421 10 0 CDAERP [NH3+][C@H](CCN[C@H]1CC[NH2+]C12CCC2)Cc1ccccc1 ZINC000925726567 848605241 /nfs/dbraw/zinc/60/52/41/848605241.db2.gz UDJTZNLSXCWMJG-CVEARBPZSA-N 2 0 273.424 1.821 10 0 CDAERP C[C@H](CNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH+]1CCCC[C@@H]1C ZINC001646222697 1167704244 /nfs/dbraw/zinc/70/42/44/1167704244.db2.gz SNTHSEDZALNUMR-UXLLHSPISA-N 2 0 293.455 1.851 10 0 CDAERP CC(C)OCC[C@H](O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000923329739 848741884 /nfs/dbraw/zinc/74/18/84/848741884.db2.gz YEGDSOIAWPUNAL-HRCADAONSA-N 2 0 284.444 1.626 10 0 CDAERP COC(=O)/C(C)=C/C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000088630524 848816757 /nfs/dbraw/zinc/81/67/57/848816757.db2.gz CKORMLNSJFSERH-LFYBBSHMSA-N 2 0 254.374 1.379 10 0 CDAERP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872275922 848826784 /nfs/dbraw/zinc/82/67/84/848826784.db2.gz LZYOZSVSKAZRFV-RDJZCZTQSA-N 2 0 296.455 1.867 10 0 CDAERP Cn1cncc1CCC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709869107 848869722 /nfs/dbraw/zinc/86/97/22/848869722.db2.gz UGDZNGSHOBKZSW-OAHLLOKOSA-N 3 0 262.401 1.428 10 0 CDAERP CC1(C)[C@H]([NH2+][C@H]2CCc3c[nH]nc3C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925618327 848892693 /nfs/dbraw/zinc/89/26/93/848892693.db2.gz ZLDUDKCQSOXXAQ-MYZSUADSSA-N 2 0 274.412 1.633 10 0 CDAERP C[C@@H](CS(C)(=O)=O)[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925807496 848923888 /nfs/dbraw/zinc/92/38/88/848923888.db2.gz KASAINALNOERGK-ZDUSSCGKSA-N 2 0 290.473 1.569 10 0 CDAERP [NH3+][C@@H]1C[C@@H](N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C12CCC2 ZINC000925713354 848931801 /nfs/dbraw/zinc/93/18/01/848931801.db2.gz VCWFEJFJWMBZFR-QBPKDAKJSA-N 2 0 285.435 1.992 10 0 CDAERP O=c1cc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc[nH]1 ZINC000921861237 848950539 /nfs/dbraw/zinc/95/05/39/848950539.db2.gz WWQJAGYRAGWNNV-GJZGRUSLSA-N 2 0 291.395 1.255 10 0 CDAERP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925788701 848950762 /nfs/dbraw/zinc/95/07/62/848950762.db2.gz AZKUJBWYNGHTQK-UPJWGTAASA-N 2 0 255.406 1.079 10 0 CDAERP C([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)[C@H]1CCC12CCOCC2 ZINC000925734657 848962247 /nfs/dbraw/zinc/96/22/47/848962247.db2.gz PZQMJQBVOLOZIU-RCZWDNKTSA-N 2 0 276.424 1.779 10 0 CDAERP O[C@@H](C[NH2+]CC[C@@H]1CCC2(CCC2)O1)C[NH+]1CCCC1 ZINC000717115404 848978419 /nfs/dbraw/zinc/97/84/19/848978419.db2.gz CENVSCTXMBFEPI-GJZGRUSLSA-N 2 0 282.428 1.525 10 0 CDAERP CC1(C)CO[C@@H](C[NH+]2CCC3(CC[NH2+]C3)CC2)C1 ZINC000872143766 849036447 /nfs/dbraw/zinc/03/64/47/849036447.db2.gz XIYXSWNFDJUZPI-CYBMUJFWSA-N 2 0 252.402 1.877 10 0 CDAERP C[C@H](C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1)CC(C)(C)C ZINC000709174710 849037711 /nfs/dbraw/zinc/03/77/11/849037711.db2.gz FIKUMJVNWMVZJR-UONOGXRCSA-N 2 0 283.460 1.846 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C[C@@H](O)CC(F)(F)F)C2 ZINC000702581985 849047398 /nfs/dbraw/zinc/04/73/98/849047398.db2.gz BGMFZESQKCMMAK-GARJFASQSA-N 2 0 266.307 1.231 10 0 CDAERP O=C(C1CC[NH+](C2CC2)CC1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000868034615 849073440 /nfs/dbraw/zinc/07/34/40/849073440.db2.gz GOAVSZLASYYONV-GDBMZVCRSA-N 2 0 291.439 1.461 10 0 CDAERP C[C@@H]1C[N@H+](Cc2ccc3c[nH]nc3c2)C[C@H]1CC[NH3+] ZINC000723892728 849093461 /nfs/dbraw/zinc/09/34/61/849093461.db2.gz ZYAUFNCVNIYFDT-BXUZGUMPSA-N 2 0 258.369 1.980 10 0 CDAERP C(C[NH2+][C@H]1CC[NH2+]C12CCCC2)COC1CCOCC1 ZINC000925579410 849129441 /nfs/dbraw/zinc/12/94/41/849129441.db2.gz FHCXRDPCINAPPX-HNNXBMFYSA-N 2 0 282.428 1.836 10 0 CDAERP CC[NH+](CC)[C@H](C)CN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925662291 849194858 /nfs/dbraw/zinc/19/48/58/849194858.db2.gz GNCDHBOLLXEWDM-MNQBEEPXSA-N 2 0 251.418 1.303 10 0 CDAERP Cc1nn(C)c(C)c1CN1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720868992 849244587 /nfs/dbraw/zinc/24/45/87/849244587.db2.gz BQTHSAIMKFAXGW-ZYHUDNBSSA-N 2 0 290.333 1.606 10 0 CDAERP C[C@@H](CC(C)(C)O)[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925682449 849347786 /nfs/dbraw/zinc/34/77/86/849347786.db2.gz XGZGGFRGZQRHOI-RNJOBUHISA-N 2 0 254.418 1.902 10 0 CDAERP C[NH+](C)C1(C)CCC([NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000715539032 849351243 /nfs/dbraw/zinc/35/12/43/849351243.db2.gz AZQLSPKPGXLCIN-PCKAHOCUSA-N 3 0 283.460 1.296 10 0 CDAERP O[C@H](C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)C1(O)CCC1 ZINC000930060523 849404898 /nfs/dbraw/zinc/40/48/98/849404898.db2.gz KQQJTIURMQNCJE-CWRNSKLLSA-N 2 0 294.439 1.211 10 0 CDAERP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H](O)CCc3ccccc3)C[C@]2(C)C1 ZINC000933735253 849450489 /nfs/dbraw/zinc/45/04/89/849450489.db2.gz HCIMNLZQCOAWBZ-SQNIBIBYSA-N 2 0 288.435 1.864 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000926710798 849485058 /nfs/dbraw/zinc/48/50/58/849485058.db2.gz CVZNQCQJHJIUEA-BMNJFWBPSA-N 2 0 250.386 1.220 10 0 CDAERP Cc1nc(C)c(CN(C)CC2([NH+](C)C)CCC2)[nH]1 ZINC000724786371 849513558 /nfs/dbraw/zinc/51/35/58/849513558.db2.gz QVPAIYPUSBYJFK-UHFFFAOYSA-N 2 0 250.390 1.943 10 0 CDAERP C[C@@H]1CC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCO1 ZINC000719784707 849525228 /nfs/dbraw/zinc/52/52/28/849525228.db2.gz YHMYJHXCFMVRAB-CYBMUJFWSA-N 2 0 260.381 1.943 10 0 CDAERP C[C@@]1(C[N@@H+]2CC[C@H](c3nccs3)C2)CC[NH2+]C1 ZINC000710604628 849563975 /nfs/dbraw/zinc/56/39/75/849563975.db2.gz OYWCIFMDYVDLGX-WCQYABFASA-N 2 0 251.399 1.932 10 0 CDAERP C[NH+](C)CC1(O)CC[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000710570637 849565196 /nfs/dbraw/zinc/56/51/96/849565196.db2.gz MFQMPOAXDRDLBO-KFWWJZLASA-N 2 0 266.429 1.811 10 0 CDAERP C[NH+](C)CCOCC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925648375 849658426 /nfs/dbraw/zinc/65/84/26/849658426.db2.gz ASAIJWICIJFYEO-HZPDHXFCSA-N 3 0 283.460 1.323 10 0 CDAERP COC(=O)CCCC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709866585 849659446 /nfs/dbraw/zinc/65/94/46/849659446.db2.gz BPAJUXZJQDDNJU-CQSZACIVSA-N 2 0 254.374 1.405 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711383256 849662439 /nfs/dbraw/zinc/66/24/39/849662439.db2.gz WFSKJGCPDKATCP-MGPQQGTHSA-N 2 0 279.428 1.317 10 0 CDAERP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)C1CC(F)(F)C1 ZINC000862278079 849671337 /nfs/dbraw/zinc/67/13/37/849671337.db2.gz SITDBEMKCYQDMF-NWDGAFQWSA-N 2 0 275.387 1.646 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1ccns1 ZINC000925732675 849727488 /nfs/dbraw/zinc/72/74/88/849727488.db2.gz QYCICBLCXUUWPM-UYVFGJEYSA-N 2 0 251.399 1.791 10 0 CDAERP C[N@H+](CCCC[NH+]1CCCCC1)C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000931702347 849772365 /nfs/dbraw/zinc/77/23/65/849772365.db2.gz BAKUXGQLNAIFLQ-YESZJQIVSA-N 2 0 296.455 1.988 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715076374 849808726 /nfs/dbraw/zinc/80/87/26/849808726.db2.gz AMKPMVARTADJGU-SRVKXCTJSA-N 2 0 289.370 1.207 10 0 CDAERP C[C@H](c1ccccn1)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923449915 849831434 /nfs/dbraw/zinc/83/14/34/849831434.db2.gz DOUCZOIOOMVGST-ZIAGYGMSSA-N 2 0 275.396 1.972 10 0 CDAERP C[C@](O)(C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)C1CC1 ZINC000925609815 849925726 /nfs/dbraw/zinc/92/57/26/849925726.db2.gz WEKNOIVLOHKNTN-JYJNAYRXSA-N 2 0 266.429 1.905 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000925829026 849943955 /nfs/dbraw/zinc/94/39/55/849943955.db2.gz LWNTXMXOTRQDQW-ZNSHCXBVSA-N 2 0 266.307 1.956 10 0 CDAERP C[C@@H]1CCC[N@H+](CCCCNC(=O)C=C2CC[NH2+]CC2)C1 ZINC000852858627 849961183 /nfs/dbraw/zinc/96/11/83/849961183.db2.gz FJINCPGAWWSMFP-OAHLLOKOSA-N 2 0 293.455 1.925 10 0 CDAERP Cc1nccn1CC[NH2+]Cc1cc2c(cc[nH]c2=O)o1 ZINC000865439602 850012864 /nfs/dbraw/zinc/01/28/64/850012864.db2.gz ZHAUMYMJLACSEB-UHFFFAOYSA-N 2 0 272.308 1.828 10 0 CDAERP CC(C)(C)[NH2+]CCC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000720475633 850017803 /nfs/dbraw/zinc/01/78/03/850017803.db2.gz QSTGGBPMQNVZPW-STQMWFEESA-N 2 0 299.484 1.461 10 0 CDAERP Cc1cc(NC[C@H](C)C[NH+]2CCCCC2)nc(N)[nH+]1 ZINC000225750427 850025551 /nfs/dbraw/zinc/02/55/51/850025551.db2.gz HQGTVOSEWKBJAC-NSHDSACASA-N 2 0 263.389 1.901 10 0 CDAERP C[C@@H]1CCC[N@H+](CCNC(=O)C=C2CC[NH2+]CC2)C1 ZINC000852858990 850100021 /nfs/dbraw/zinc/10/00/21/850100021.db2.gz KOINRNHHQKXHAR-CYBMUJFWSA-N 2 0 265.401 1.144 10 0 CDAERP CCCCOC[C@@H](O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000227910619 850109096 /nfs/dbraw/zinc/10/90/96/850109096.db2.gz MDJOONQSQFANEG-KBPBESRZSA-N 2 0 258.406 1.225 10 0 CDAERP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923511111 850159730 /nfs/dbraw/zinc/15/97/30/850159730.db2.gz ZBZVILHVMFTMAM-APIJFGDWSA-N 2 0 281.444 1.693 10 0 CDAERP C[C@@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)[NH+]1CCCCC1 ZINC000848594938 850232860 /nfs/dbraw/zinc/23/28/60/850232860.db2.gz HOXGOVILOMRSRL-UWVGGRQHSA-N 2 0 296.337 1.050 10 0 CDAERP CC(C)N(C)C(=O)[C@H](C)[N@H+](C)CCCCCC[NH3+] ZINC000872155301 850240317 /nfs/dbraw/zinc/24/03/17/850240317.db2.gz GZBBSJGHVJHCSS-ZDUSSCGKSA-N 2 0 257.422 1.693 10 0 CDAERP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925879723 850244542 /nfs/dbraw/zinc/24/45/42/850244542.db2.gz JFNOQSAPMPJPJI-DRPJVOAASA-N 3 0 261.413 1.662 10 0 CDAERP CCN(CCC[NH+](CC)CC)C(=O)C=C1CC[NH2+]CC1 ZINC000852884752 850289784 /nfs/dbraw/zinc/28/97/84/850289784.db2.gz OBIUBOHLFLQQLJ-UHFFFAOYSA-N 2 0 281.444 1.877 10 0 CDAERP C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000923398658 850401478 /nfs/dbraw/zinc/40/14/78/850401478.db2.gz LBVWUXCRMOCQJT-JALIKCBVSA-N 3 0 263.429 1.781 10 0 CDAERP Cc1scc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c1C ZINC000634725458 850434079 /nfs/dbraw/zinc/43/40/79/850434079.db2.gz UJMZUMORYIKHAW-OAHLLOKOSA-N 2 0 297.468 1.063 10 0 CDAERP CC[C@@H]1CCN(C(=[NH2+])NCCCC[NH+]2CCN(C)CC2)C1 ZINC000864450648 850490961 /nfs/dbraw/zinc/49/09/61/850490961.db2.gz ATBFRRXZHFTWTJ-OAHLLOKOSA-N 2 0 295.475 1.270 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCCC[C@@H]1C ZINC001646313641 1167767067 /nfs/dbraw/zinc/76/70/67/1167767067.db2.gz PPRMZVGXLXASHT-GJZGRUSLSA-N 2 0 281.444 1.850 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001567249784 1168639049 /nfs/dbraw/zinc/63/90/49/1168639049.db2.gz MOYIXJFJTANRCJ-QLFBSQMISA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001266583280 895456919 /nfs/dbraw/zinc/45/69/19/895456919.db2.gz SQYYAMAIUCIJON-AAVRWANBSA-N 2 0 267.417 1.364 10 0 CDAERP CC[C@H](F)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001266699755 895856884 /nfs/dbraw/zinc/85/68/84/895856884.db2.gz NZKKZFGKAWCPTC-KBPBESRZSA-N 2 0 287.423 1.655 10 0 CDAERP CCCCC[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267072187 896690041 /nfs/dbraw/zinc/69/00/41/896690041.db2.gz UVVLQRRBNWDEIN-CYBMUJFWSA-N 2 0 255.406 1.176 10 0 CDAERP C(CC1SCCS1)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000693778342 897288441 /nfs/dbraw/zinc/28/84/41/897288441.db2.gz WYNBOBJRYSXFMW-STXZSOOUSA-N 2 0 270.467 1.769 10 0 CDAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@H+](C)CCCF ZINC001480951218 898110528 /nfs/dbraw/zinc/11/05/28/898110528.db2.gz RUOQNSAKPKEOCM-STQMWFEESA-N 2 0 273.396 1.267 10 0 CDAERP CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001267563469 898376889 /nfs/dbraw/zinc/37/68/89/898376889.db2.gz ALLBSHQOLAUJQX-KGLIPLIRSA-N 2 0 267.417 1.319 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001481095761 898814113 /nfs/dbraw/zinc/81/41/13/898814113.db2.gz KTRHJYMETRXWTL-UONOGXRCSA-N 2 0 287.423 1.513 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001481095759 898815314 /nfs/dbraw/zinc/81/53/14/898815314.db2.gz KTRHJYMETRXWTL-KBPBESRZSA-N 2 0 287.423 1.513 10 0 CDAERP CC1(C)[C@H]([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)[C@H]2CCO[C@H]21 ZINC000925522381 899489503 /nfs/dbraw/zinc/48/95/03/899489503.db2.gz NAJZNBANRVMPSE-NZEXEKPDSA-N 2 0 250.386 1.659 10 0 CDAERP CC(C)CC[NH2+]CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001481231023 899515138 /nfs/dbraw/zinc/51/51/38/899515138.db2.gz MOLQRAOFXYOCMU-HNNXBMFYSA-N 2 0 281.444 1.422 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC1(C[NH2+]CCF)CCCC1 ZINC001267847584 899864543 /nfs/dbraw/zinc/86/45/43/899864543.db2.gz ZGWPUQWJYQLUIG-OKILXGFUSA-N 2 0 299.434 1.847 10 0 CDAERP CCC[C@H]1CCC[N@@H+]1C[C@@H](O)CN(C)CCOC ZINC000397060850 899877328 /nfs/dbraw/zinc/87/73/28/899877328.db2.gz RBDNNQIMGXREQS-KBPBESRZSA-N 2 0 258.406 1.190 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]Cc2ccccc2)C1 ZINC001481279515 899957929 /nfs/dbraw/zinc/95/79/29/899957929.db2.gz IGVWNMPJAPYDLT-HNNXBMFYSA-N 2 0 289.423 1.576 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCCF)CCCC1 ZINC001268037334 900701427 /nfs/dbraw/zinc/70/14/27/900701427.db2.gz IVPJUOFLBDHTOQ-CYBMUJFWSA-N 2 0 285.407 1.459 10 0 CDAERP CC(C)C[N@H+](C)C[C@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001481505862 900958716 /nfs/dbraw/zinc/95/87/16/900958716.db2.gz WSJYTCHZOBQRIM-JKSUJKDBSA-N 2 0 295.471 1.765 10 0 CDAERP CC/C=C\CC[N@@H+]1CCC[C@@H](NC(=O)Cn2ccnc2)C1 ZINC001268152764 901428450 /nfs/dbraw/zinc/42/84/50/901428450.db2.gz BESKYPZLODHYSW-ABCZVMIZSA-N 2 0 290.411 1.820 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1CC[NH2+]C[C@H](C)O ZINC001268162374 901457519 /nfs/dbraw/zinc/45/75/19/901457519.db2.gz LPWAQATUPWEEDA-GJZGRUSLSA-N 2 0 299.459 1.070 10 0 CDAERP C[C@@H](CC[NH2+]C[C@@H]1CCCCO1)NC(=O)C[NH+]1CCCC1 ZINC001268422585 902037831 /nfs/dbraw/zinc/03/78/31/902037831.db2.gz FLMNMIMHQHFKPZ-GJZGRUSLSA-N 2 0 297.443 1.136 10 0 CDAERP CC(C)N1CCO[C@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001482191070 902946308 /nfs/dbraw/zinc/94/63/08/902946308.db2.gz UUABXJQAKDCPLN-HUUCEWRRSA-N 2 0 297.443 1.086 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C[N@H+](C)CC)[NH+](CC)CC ZINC001268746039 903071911 /nfs/dbraw/zinc/07/19/11/903071911.db2.gz HZFBXVUMCCAFDZ-CHWSQXEVSA-N 2 0 257.422 1.563 10 0 CDAERP CC(C)=CC[NH+]1CC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001268895869 903220553 /nfs/dbraw/zinc/22/05/53/903220553.db2.gz DKNLJIHIZQEZML-AWEZNQCLSA-N 2 0 279.428 1.342 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711350205 903854244 /nfs/dbraw/zinc/85/42/44/903854244.db2.gz HTGOCJQVLZTFGK-NWDGAFQWSA-N 2 0 255.406 1.079 10 0 CDAERP CC(C)C[NH2+]C[C@@](C)(NC(=O)CC[NH+](C)C)C1CC1 ZINC001269634381 903996637 /nfs/dbraw/zinc/99/66/37/903996637.db2.gz NWVOBNMRKCPYIM-OAHLLOKOSA-N 2 0 269.433 1.469 10 0 CDAERP CC(C)[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001482282627 904561332 /nfs/dbraw/zinc/56/13/32/904561332.db2.gz BMRHZIKLEBLNKE-OCCSQVGLSA-N 2 0 267.417 1.173 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001482283492 904571685 /nfs/dbraw/zinc/57/16/85/904571685.db2.gz NGKLZRSNMUXFHS-ZBFHGGJFSA-N 2 0 293.455 1.731 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCF)C1CCCC1 ZINC001270421939 904627199 /nfs/dbraw/zinc/62/71/99/904627199.db2.gz IPUKLNROIZFJTP-UONOGXRCSA-N 2 0 285.407 1.315 10 0 CDAERP CC[C@@H](C(=O)NCC1=CCN(C/C=C/Cl)CC1)[NH+](C)C ZINC001284976490 904660774 /nfs/dbraw/zinc/66/07/74/904660774.db2.gz IRBNMWCGGIHCFC-GPAKFWEMSA-N 2 0 299.846 1.827 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001270594850 904773616 /nfs/dbraw/zinc/77/36/16/904773616.db2.gz LATWYYZWTWUNFW-KBPBESRZSA-N 2 0 267.417 1.246 10 0 CDAERP C[NH+]1CCC(C(=O)N2CCCC[C@H]2CC[NH2+]CCF)CC1 ZINC001271575284 906528406 /nfs/dbraw/zinc/52/84/06/906528406.db2.gz DEIZGVLBFZYWCN-HNNXBMFYSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)=CC[N@@H+](C)CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001272055431 907785353 /nfs/dbraw/zinc/78/53/53/907785353.db2.gz OHUDZVBMQLHTHI-UHFFFAOYSA-N 2 0 293.455 1.971 10 0 CDAERP CC(C)C[N@H+](C)CCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001482606025 907871061 /nfs/dbraw/zinc/87/10/61/907871061.db2.gz JJKVIOQOICNWRU-UHFFFAOYSA-N 2 0 295.471 1.909 10 0 CDAERP COCC[N@H+](C)CCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001482606739 907884632 /nfs/dbraw/zinc/88/46/32/907884632.db2.gz VARXXHXFADNJEV-CABCVRRESA-N 2 0 297.443 1.040 10 0 CDAERP CCN(C(=O)CCCC[NH+](C)C)[C@@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC001567943565 1169086571 /nfs/dbraw/zinc/08/65/71/1169086571.db2.gz CNHSJKIVNSCOMC-HUUCEWRRSA-N 2 0 299.459 1.022 10 0 CDAERP CC(C)C[NH2+]CC[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001482877312 908456122 /nfs/dbraw/zinc/45/61/22/908456122.db2.gz ORPXRTTTYXLXRZ-CQSZACIVSA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001483137986 909784288 /nfs/dbraw/zinc/78/42/88/909784288.db2.gz JDCGNOLQUBKZAK-KGLIPLIRSA-N 2 0 269.433 1.633 10 0 CDAERP Cc1ncoc1C[NH2+][C@H](C)CN(C)C(=O)CCC[NH+](C)C ZINC001507115906 910762611 /nfs/dbraw/zinc/76/26/11/910762611.db2.gz PCVSLESFEBQXAR-GFCCVEGCSA-N 2 0 296.415 1.261 10 0 CDAERP COCC[NH2+]C[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001483297111 910809454 /nfs/dbraw/zinc/80/94/54/910809454.db2.gz XDNPNATWMMRACJ-ZDUSSCGKSA-N 2 0 293.411 1.103 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH+](C)CC2CC2)CC[N@@H+]1C ZINC001483340935 910934686 /nfs/dbraw/zinc/93/46/86/910934686.db2.gz XLZCNMAXSZSLBA-AEGPPILISA-N 2 0 281.444 1.563 10 0 CDAERP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@H+](C)CC[C@H]1CCOC1 ZINC001483422147 911096635 /nfs/dbraw/zinc/09/66/35/911096635.db2.gz VBJIKYSPVSLWKP-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@H](CC[NH2+]CCF)C1 ZINC001568072868 1169131516 /nfs/dbraw/zinc/13/15/16/1169131516.db2.gz HRZLQCNOVNTAJE-CQSZACIVSA-N 2 0 287.423 1.516 10 0 CDAERP CC[C@@H](F)C[NH2+]CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001483470158 911158228 /nfs/dbraw/zinc/15/82/28/911158228.db2.gz LVRXNJIQNNSRFP-CYBMUJFWSA-N 2 0 287.423 1.657 10 0 CDAERP CC[C@@H](F)C[NH2+]CCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001483476082 911163362 /nfs/dbraw/zinc/16/33/62/911163362.db2.gz QQFBGGQGWDDENP-CQSZACIVSA-N 2 0 299.434 1.801 10 0 CDAERP CC/C=C\CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001272688333 916027256 /nfs/dbraw/zinc/02/72/56/916027256.db2.gz JHVZKGUQJVWNKQ-RWCKICOTSA-N 2 0 281.444 1.921 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)CCC1CC1 ZINC001485343432 916859879 /nfs/dbraw/zinc/85/98/79/916859879.db2.gz DNALJZNJNKRCNG-LZWOXQAQSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1C[NH+](CC2CCC2)C1 ZINC001485525382 917063139 /nfs/dbraw/zinc/06/31/39/917063139.db2.gz FVKGKEYJXUTYFM-ZIAGYGMSSA-N 2 0 293.455 1.565 10 0 CDAERP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N3C[C@H](C)[NH+](C)C[C@@H]3C)C[N@@H+]2C1 ZINC001649309110 1169185821 /nfs/dbraw/zinc/18/58/21/1169185821.db2.gz OCWTVCPPJZISMN-YXMSTPNBSA-N 2 0 293.455 1.658 10 0 CDAERP C[C@H](CC[NH2+]CCF)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001272828793 919858696 /nfs/dbraw/zinc/85/86/96/919858696.db2.gz DGGJKGXHHUSIFT-UKRRQHHQSA-N 2 0 299.434 1.847 10 0 CDAERP C[C@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]C/C=C/Cl ZINC001485891691 920553396 /nfs/dbraw/zinc/55/33/96/920553396.db2.gz IWMBYWRFXKGUNW-ZYARKTQMSA-N 2 0 287.835 1.660 10 0 CDAERP CC(C)CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2cnc[nH]2)C1 ZINC001486123416 920731579 /nfs/dbraw/zinc/73/15/79/920731579.db2.gz BOVLSNVPRAKHJO-UKRRQHHQSA-N 2 0 292.427 1.967 10 0 CDAERP O=C(N[C@H]1CC[C@H](C[NH2+]CCCF)C1)C12CC[NH+](CC1)C2 ZINC001486215748 920825734 /nfs/dbraw/zinc/82/57/34/920825734.db2.gz KXUCHZNAFJITBU-KBPBESRZSA-N 2 0 297.418 1.316 10 0 CDAERP CC(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CN(C)CCO1)C(C)(C)C ZINC001486389957 920974084 /nfs/dbraw/zinc/97/40/84/920974084.db2.gz FLDKFSQBAJBZKU-UONOGXRCSA-N 2 0 299.459 1.094 10 0 CDAERP CC(C)[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001486409026 920983530 /nfs/dbraw/zinc/98/35/30/920983530.db2.gz GDELYFMTUMWIBK-GFCCVEGCSA-N 2 0 257.422 1.467 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000250321239 921873180 /nfs/dbraw/zinc/87/31/80/921873180.db2.gz NETLVDJZLWUHFX-FRRDWIJNSA-N 2 0 253.390 1.104 10 0 CDAERP CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001490982828 936837560 /nfs/dbraw/zinc/83/75/60/936837560.db2.gz MSGASOBGVSXFPH-CABCVRRESA-N 2 0 293.455 1.661 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCCF)CC1(C)C ZINC001410016714 923662830 /nfs/dbraw/zinc/66/28/30/923662830.db2.gz ISRFWJMMTCRPDK-CYBMUJFWSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](C[C@H](O)CCc1ccccc1)C2 ZINC000923410373 923814164 /nfs/dbraw/zinc/81/41/64/923814164.db2.gz YKIBSYXWKWWYGN-KURKYZTESA-N 2 0 288.435 1.912 10 0 CDAERP CCCC[NH2+]C1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001491361171 936898660 /nfs/dbraw/zinc/89/86/60/936898660.db2.gz MNDDBFQOUKGXAB-UHFFFAOYSA-N 2 0 269.433 1.755 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@]12CCC[C@@H]1[N@H+](CCCF)CC2 ZINC001410884374 926722959 /nfs/dbraw/zinc/72/29/59/926722959.db2.gz BDVCXBJGJAFAQC-DZGCQCFKSA-N 2 0 285.407 1.411 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+]CC[C@@H](C)F)C1 ZINC001488879576 926747385 /nfs/dbraw/zinc/74/73/85/926747385.db2.gz DLYZWZFTBRVBQN-MGPQQGTHSA-N 2 0 287.423 1.559 10 0 CDAERP C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C[C@@H]1CCCCO1 ZINC001490234462 927041252 /nfs/dbraw/zinc/04/12/52/927041252.db2.gz XHHNQSZRKPBBKV-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C)CCCO ZINC001490255411 927061681 /nfs/dbraw/zinc/06/16/81/927061681.db2.gz BQEJKAXBOQSTEH-OAHLLOKOSA-N 2 0 299.459 1.070 10 0 CDAERP CCC[NH2+][C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001490709663 927292827 /nfs/dbraw/zinc/29/28/27/927292827.db2.gz KASUOISPOPLTJW-GXTWGEPZSA-N 2 0 267.417 1.223 10 0 CDAERP CCN(CC)[C@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000699301581 937301812 /nfs/dbraw/zinc/30/18/12/937301812.db2.gz PAKLSVNFBVJLLU-UYTSQGDYSA-N 2 0 265.445 1.933 10 0 CDAERP C[C@H](C[N@H+](C)CC1=CCCCC1)NC(=O)CC[NH+](C)C ZINC001275637206 931919845 /nfs/dbraw/zinc/91/98/45/931919845.db2.gz JIGVAIYRRVUYOU-CQSZACIVSA-N 2 0 281.444 1.875 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)[C@@H](C)CC[NH+](C)C)CC1 ZINC001411846728 932068837 /nfs/dbraw/zinc/06/88/37/932068837.db2.gz IKIMNPYQMZOSKX-AWEZNQCLSA-N 2 0 283.460 1.812 10 0 CDAERP CCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001275864789 932102768 /nfs/dbraw/zinc/10/27/68/932102768.db2.gz BSXHZJXYVXVTEG-STQMWFEESA-N 2 0 255.406 1.317 10 0 CDAERP C[NH2+]CCCCC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000719689769 932208784 /nfs/dbraw/zinc/20/87/84/932208784.db2.gz BTADSRUCJQTYCA-AWEZNQCLSA-N 2 0 267.417 1.463 10 0 CDAERP CN(CCC[NH2+]C/C=C/Cl)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001276007338 932228610 /nfs/dbraw/zinc/22/86/10/932228610.db2.gz QOIVNEMRQNVCPH-XCVZWFEFSA-N 2 0 299.846 1.519 10 0 CDAERP CC[N@@H+]1CCN(C(=O)[C@H]2CCC[NH+](C(C)C)C2)[C@@H](C)C1 ZINC001412108524 932269754 /nfs/dbraw/zinc/26/97/54/932269754.db2.gz MGVZCCHPWNQBIR-GJZGRUSLSA-N 2 0 281.444 1.659 10 0 CDAERP C[C@H](CNC(=O)CC[N@@H+]1CC[C@H](F)C1)[NH+](C)C1CC1 ZINC001412501721 932457884 /nfs/dbraw/zinc/45/78/84/932457884.db2.gz YLCFUIXUHJHSCF-NEPJUHHUSA-N 2 0 271.380 1.019 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC001118219337 937603918 /nfs/dbraw/zinc/60/39/18/937603918.db2.gz WORDQWFTLJIGAX-BFHYXJOUSA-N 2 0 265.401 1.104 10 0 CDAERP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001412593861 932538475 /nfs/dbraw/zinc/53/84/75/932538475.db2.gz PVGWISCICFHQNF-WCVJEAGWSA-N 2 0 295.471 1.905 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1C[N@@H+](C(C)C)CC1(C)C)[NH+](C)C ZINC001276594535 940397751 /nfs/dbraw/zinc/39/77/51/940397751.db2.gz ZONSCZKXSFGVML-CHWSQXEVSA-N 2 0 269.433 1.562 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H]2CSCCS2)C12CCC2 ZINC000405261708 940977387 /nfs/dbraw/zinc/97/73/87/940977387.db2.gz PDYAQYWVCLJQQI-AXFHLTTASA-N 2 0 258.456 1.695 10 0 CDAERP C[NH+](C)Cc1ccc(C(=O)N2CCC[C@H]2C[NH+](C)C)cn1 ZINC001362033366 970800831 /nfs/dbraw/zinc/80/08/31/970800831.db2.gz UXNKXHWOGVMIQP-HNNXBMFYSA-N 2 0 290.411 1.309 10 0 CDAERP CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001277001075 941800573 /nfs/dbraw/zinc/80/05/73/941800573.db2.gz IESPEBLHSOUQSO-YHUYYLMFSA-N 2 0 293.455 1.898 10 0 CDAERP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCCC[C@H]3O)CC[C@H]21 ZINC001473725919 970839421 /nfs/dbraw/zinc/83/94/21/970839421.db2.gz WWGXCDDRLSQYSO-LXTVHRRPSA-N 2 0 252.402 1.564 10 0 CDAERP CCC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001277217832 942186534 /nfs/dbraw/zinc/18/65/34/942186534.db2.gz NCIUVWCPTJXVIO-KGLIPLIRSA-N 2 0 269.433 1.755 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)NCC2CC[NH+](C)CC2)C1 ZINC001362112666 970901016 /nfs/dbraw/zinc/90/10/16/970901016.db2.gz VTBIPZZLMBXUQP-HNNXBMFYSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H](F)CC[NH2+]CC[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001280297168 942427936 /nfs/dbraw/zinc/42/79/36/942427936.db2.gz RVFOKGUVCJBZPP-CABCVRRESA-N 2 0 299.434 1.659 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H](C)[N@@H+](C)CC ZINC001282387870 942702825 /nfs/dbraw/zinc/70/28/25/942702825.db2.gz BSTKMUDMOGNAJW-NEPJUHHUSA-N 2 0 261.385 1.123 10 0 CDAERP CCCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001283664393 942961821 /nfs/dbraw/zinc/96/18/21/942961821.db2.gz XZPRIGCTQMCXHS-UONOGXRCSA-N 2 0 271.449 1.809 10 0 CDAERP C[C@@H]1[C@H]([NH2+]CCOC2CCC2)CCN1C(=O)CC[NH+](C)C ZINC001283897226 943023125 /nfs/dbraw/zinc/02/31/25/943023125.db2.gz CKXGDUGNYVFDOT-UKRRQHHQSA-N 2 0 297.443 1.086 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001284242375 943128010 /nfs/dbraw/zinc/12/80/10/943128010.db2.gz MCRZFKDZXRWIRP-KGLIPLIRSA-N 2 0 279.428 1.367 10 0 CDAERP CCCC[NH2+][C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC1(C)C ZINC001284313049 943145887 /nfs/dbraw/zinc/14/58/87/943145887.db2.gz MUGAHDQDMSTLMJ-AWEZNQCLSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CCCF)C1)[NH+](C)C ZINC001264408714 944129391 /nfs/dbraw/zinc/12/93/91/944129391.db2.gz SBZXVKLTYCJNPV-FRRDWIJNSA-N 2 0 273.396 1.171 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CCCCCF ZINC001264731298 944171222 /nfs/dbraw/zinc/17/12/22/944171222.db2.gz JDPUVQWTCZRRPR-KFWWJZLASA-N 2 0 299.434 1.657 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001265539986 944422031 /nfs/dbraw/zinc/42/20/31/944422031.db2.gz ALGRQQNVNLLBPE-YIYPIFLZSA-N 2 0 267.417 1.364 10 0 CDAERP C[NH+](C)CCC(=O)NCCC[N@H+](C)CCC(C)(C)C ZINC001265917080 944572579 /nfs/dbraw/zinc/57/25/79/944572579.db2.gz BNEZYRVFOYLIAP-UHFFFAOYSA-N 2 0 271.449 1.812 10 0 CDAERP CC1(C)CCC[N@H+](CCNC(=O)CC[NH+]2CC[C@H](F)C2)C1 ZINC001362412237 971244568 /nfs/dbraw/zinc/24/45/68/971244568.db2.gz POGRVFSDEWWFLE-AWEZNQCLSA-N 2 0 299.434 1.659 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCCC[N@@H+](C)CC2CC2)C1 ZINC001479808708 971431678 /nfs/dbraw/zinc/43/16/78/971431678.db2.gz MIROHYDSXGANPE-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C(C)(C)C ZINC001278973395 948442601 /nfs/dbraw/zinc/44/26/01/948442601.db2.gz SZTJZPBSIUCRSW-NEPJUHHUSA-N 2 0 257.422 1.467 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C(C)(C)C ZINC001278973396 948442878 /nfs/dbraw/zinc/44/28/78/948442878.db2.gz SZTJZPBSIUCRSW-VXGBXAGGSA-N 2 0 257.422 1.467 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)NCC2([NH+](C)C)CCC2)C1 ZINC001362668058 971511243 /nfs/dbraw/zinc/51/12/43/971511243.db2.gz QIMGCSJIQXLLGC-AWEZNQCLSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]CCF)[NH+](C)C ZINC001480360387 971687305 /nfs/dbraw/zinc/68/73/05/971687305.db2.gz XLFCTOBYAIDMIT-ZIAGYGMSSA-N 2 0 287.423 1.513 10 0 CDAERP C[C@@H](C[NH2+]CCC1=CCCCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001569097239 1169642766 /nfs/dbraw/zinc/64/27/66/1169642766.db2.gz PZBJNADAVWIMIE-HOCLYGCPSA-N 2 0 293.455 1.923 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCCF)C1 ZINC001480642012 971821780 /nfs/dbraw/zinc/82/17/80/971821780.db2.gz MXKVZPFRLPCHIA-HUUCEWRRSA-N 2 0 299.434 1.657 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CCF ZINC001480825712 971895482 /nfs/dbraw/zinc/89/54/82/971895482.db2.gz CICCOICIAQWXOO-ZIAGYGMSSA-N 2 0 285.407 1.411 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)C1 ZINC001363117503 971901592 /nfs/dbraw/zinc/90/15/92/971901592.db2.gz DDLRZDLBJFIZJZ-RRFJBIMHSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@@H](C[N@H+](C)CC1CCC1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001569151723 1169694152 /nfs/dbraw/zinc/69/41/52/1169694152.db2.gz NQWXWKJVKOYZFS-GXTWGEPZSA-N 2 0 267.417 1.175 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CC[NH+](CC)CC)CC[N@@H+]1C ZINC001363688458 953653088 /nfs/dbraw/zinc/65/30/88/953653088.db2.gz FMEAFQJJRUXEEQ-QLFBSQMISA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1nccnc1C[NH3+] ZINC001363752470 953747238 /nfs/dbraw/zinc/74/72/38/953747238.db2.gz ZBAPSZCKXSGPRG-UKRRQHHQSA-N 2 0 289.427 1.634 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H](C)CC[NH+](C)C ZINC001290770655 954072715 /nfs/dbraw/zinc/07/27/15/954072715.db2.gz YZSPIECMQVIBMX-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP C[NH+](C)CCCC1CC[NH+](C[C@@H](O)C(C)(C)O)CC1 ZINC001363213451 971985720 /nfs/dbraw/zinc/98/57/20/971985720.db2.gz VRZKYFMOOCNICH-CQSZACIVSA-N 2 0 272.433 1.172 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCCC[C@@H]2[NH3+])CC[N@@H+]1C ZINC001326373524 954345359 /nfs/dbraw/zinc/34/53/59/954345359.db2.gz XEYAEKGLAXAMPU-MQYQWHSLSA-N 2 0 267.417 1.445 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)[C@H]2CCCC[C@H]2[NH3+])C[N@@H+]1C1CC1 ZINC001326687358 954490578 /nfs/dbraw/zinc/49/05/78/954490578.db2.gz GKRGBNDMQKUOOV-UVLXDEKHSA-N 2 0 265.401 1.245 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC001295174851 954622394 /nfs/dbraw/zinc/62/23/94/954622394.db2.gz NUWVHYNFRAHYLN-UPJWGTAASA-N 2 0 255.406 1.125 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCO[C@H](C[NH2+]CCC(C)C)C1 ZINC001327066525 954687470 /nfs/dbraw/zinc/68/74/70/954687470.db2.gz XDKMXAIDFZZELY-OAHLLOKOSA-N 2 0 299.459 1.191 10 0 CDAERP CC[NH2+]C[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)CCO1 ZINC001327082338 954695375 /nfs/dbraw/zinc/69/53/75/954695375.db2.gz RRKWJOVYEPPXRT-HNNXBMFYSA-N 2 0 297.443 1.089 10 0 CDAERP CN(CC[NH2+]Cc1ccccc1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001493499751 972071071 /nfs/dbraw/zinc/07/10/71/972071071.db2.gz JUECTUQFDAMBPW-OAHLLOKOSA-N 2 0 275.396 1.329 10 0 CDAERP CC(C)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001328450998 955298398 /nfs/dbraw/zinc/29/83/98/955298398.db2.gz BNDMWYNVEGPPID-QWHCGFSZSA-N 2 0 255.406 1.079 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001491618677 955318169 /nfs/dbraw/zinc/31/81/69/955318169.db2.gz SIBZMFUSYABMMG-UKRRQHHQSA-N 2 0 283.460 1.859 10 0 CDAERP CCC[NH2+]C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001491829821 955457088 /nfs/dbraw/zinc/45/70/88/955457088.db2.gz RWIALGUYLXROQO-ZDUSSCGKSA-N 2 0 267.417 1.176 10 0 CDAERP COCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001491874707 955487054 /nfs/dbraw/zinc/48/70/54/955487054.db2.gz QCQCXKKRCPXSGA-ZIAGYGMSSA-N 2 0 297.443 1.134 10 0 CDAERP C[NH+]1C[C@]2(C)CN(C(=O)CC[N@@H+]3CC[C@@H](F)C3)C[C@@]2(C)C1 ZINC001363347504 972104161 /nfs/dbraw/zinc/10/41/61/972104161.db2.gz QVFNNIWUKDJAQX-FVQBIDKESA-N 2 0 297.418 1.221 10 0 CDAERP CCCC[NH2+][C@H](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001492110981 955632172 /nfs/dbraw/zinc/63/21/72/955632172.db2.gz XOSINIJOSMEZCW-ZIAGYGMSSA-N 2 0 269.433 1.613 10 0 CDAERP CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001492129859 955640895 /nfs/dbraw/zinc/64/08/95/955640895.db2.gz SXAWOFDSSBTPFL-QWHCGFSZSA-N 2 0 255.406 1.365 10 0 CDAERP CCc1nocc1C[NH2+]CCN(C)C(=O)C[N@H+](C)C(C)C ZINC001493805997 972117304 /nfs/dbraw/zinc/11/73/04/972117304.db2.gz DBXLRGXHSMDAOR-UHFFFAOYSA-N 2 0 296.415 1.125 10 0 CDAERP CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001422004020 955695555 /nfs/dbraw/zinc/69/55/55/955695555.db2.gz NTAWLMHRIIQZDQ-CABCVRRESA-N 2 0 283.460 2.000 10 0 CDAERP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](C)CN1CCOCC1 ZINC001365279525 955818686 /nfs/dbraw/zinc/81/86/86/955818686.db2.gz XWZOBUFVBGEZOA-BBWFWOEESA-N 2 0 295.471 1.513 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH+](C)CCCF ZINC001422537317 956107753 /nfs/dbraw/zinc/10/77/53/956107753.db2.gz ODLWKWMKEOZHPP-STQMWFEESA-N 2 0 273.396 1.267 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH+](C)CCCF ZINC001422537310 956130778 /nfs/dbraw/zinc/13/07/78/956130778.db2.gz ODLWKWMKEOZHPP-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP CC[NH2+]CC1(NC(=O)[C@H]2C[NH+]3CCC2CC3)CCCCC1 ZINC001422676646 956247952 /nfs/dbraw/zinc/24/79/52/956247952.db2.gz NBBGFHBXUZIWGM-HNNXBMFYSA-N 2 0 293.455 1.757 10 0 CDAERP C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CN(C/C=C\Cl)C1 ZINC001422757155 956312486 /nfs/dbraw/zinc/31/24/86/956312486.db2.gz ZPMPJYOFOBLMHN-NZTAEXDXSA-N 2 0 299.846 1.517 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001365971235 956476424 /nfs/dbraw/zinc/47/64/24/956476424.db2.gz AXTUWGKHAADLBL-ZDUSSCGKSA-N 2 0 281.425 1.390 10 0 CDAERP C[N@H+](CCCF)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001366071896 956543811 /nfs/dbraw/zinc/54/38/11/956543811.db2.gz XGWBEJUCWRGGPQ-CABCVRRESA-N 2 0 299.434 1.611 10 0 CDAERP CC(C)[N@@H+]1CC[C@H]1CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001423119715 956606635 /nfs/dbraw/zinc/60/66/35/956606635.db2.gz AWEQDNJMNKOGRS-XJKSGUPXSA-N 2 0 299.434 1.798 10 0 CDAERP C[C@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]C/C=C/Cl ZINC001423144283 956623197 /nfs/dbraw/zinc/62/31/97/956623197.db2.gz CBVJTWZAFJBFJK-LOWFTVKWSA-N 2 0 287.835 1.517 10 0 CDAERP C[C@@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CCC1CC1 ZINC001423146814 956624322 /nfs/dbraw/zinc/62/43/22/956624322.db2.gz JNJXDJYGEWFBPC-DZGCQCFKSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@H](F)CC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001366194838 956632363 /nfs/dbraw/zinc/63/23/63/956632363.db2.gz BYSYPCGDQIYHLT-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1ccsc1 ZINC001366284755 956712394 /nfs/dbraw/zinc/71/23/94/956712394.db2.gz IFOMUVKXIRWUMG-LBPRGKRZSA-N 2 0 295.452 1.827 10 0 CDAERP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1cncs1 ZINC001366320244 956739424 /nfs/dbraw/zinc/73/94/24/956739424.db2.gz FAHMVGKGXFITFH-LLVKDONJSA-N 2 0 296.440 1.079 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccon2)C1 ZINC001366435994 956822681 /nfs/dbraw/zinc/82/26/81/956822681.db2.gz UJMLUHFFBZCHQQ-QWHCGFSZSA-N 2 0 294.399 1.143 10 0 CDAERP CCC[N@@H+]1CC[C@](C)(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001423575216 956867452 /nfs/dbraw/zinc/86/74/52/956867452.db2.gz BTUXTDHWQKDPQN-INIZCTEOSA-N 2 0 297.443 1.088 10 0 CDAERP CCC[N@@H+]1CC[C@@](C)(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001423575219 956869242 /nfs/dbraw/zinc/86/92/42/956869242.db2.gz BTUXTDHWQKDPQN-MRXNPFEDSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001423575179 956870759 /nfs/dbraw/zinc/87/07/59/956870759.db2.gz NGVWSUDTDHGLMB-HIFRSBDPSA-N 2 0 299.434 1.657 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCCCCF)C1 ZINC001316982720 956914083 /nfs/dbraw/zinc/91/40/83/956914083.db2.gz PBCVPKAKDOLNIH-LSDHHAIUSA-N 2 0 299.434 1.801 10 0 CDAERP C[C@]1(CNC(=O)C[NH+]2CCCC2)CCC[N@H+](CC2CC2)C1 ZINC001423706662 956950195 /nfs/dbraw/zinc/95/01/95/956950195.db2.gz PHUKOCSGTZGKAN-QGZVFWFLSA-N 2 0 293.455 1.711 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001331407734 957030551 /nfs/dbraw/zinc/03/05/51/957030551.db2.gz SZZSYHDAXRWWHO-ZIAGYGMSSA-N 2 0 267.417 1.483 10 0 CDAERP CC(C)CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001423954987 957053742 /nfs/dbraw/zinc/05/37/42/957053742.db2.gz UMHQUWJHOQYNGG-HUUCEWRRSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001424090479 957116255 /nfs/dbraw/zinc/11/62/55/957116255.db2.gz ZUQKJBIUAIJAOU-GOEBONIOSA-N 2 0 295.471 1.668 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCCCF)C1 ZINC001316982716 957179245 /nfs/dbraw/zinc/17/92/45/957179245.db2.gz PBCVPKAKDOLNIH-GJZGRUSLSA-N 2 0 299.434 1.801 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC[C@H]2CC[NH+](CCF)C2)CC[N@@H+]1C ZINC001366836305 957214711 /nfs/dbraw/zinc/21/47/11/957214711.db2.gz OKNOSYQSDZETNW-SOUVJXGZSA-N 2 0 299.434 1.514 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCC[C@@H]2CC[NH+](CCF)C2)CC[N@@H+]1C ZINC001366837651 957214850 /nfs/dbraw/zinc/21/48/50/957214850.db2.gz UDZHRPRXCIMWKZ-ZNMIVQPWSA-N 2 0 299.434 1.514 10 0 CDAERP CC(C)CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001317062446 957238961 /nfs/dbraw/zinc/23/89/61/957238961.db2.gz KNGWQWZADLNXKC-HOTGVXAUSA-N 2 0 295.471 1.955 10 0 CDAERP CC[NH2+][C@@H](C)CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001424597346 957282150 /nfs/dbraw/zinc/28/21/50/957282150.db2.gz TWSHCWISZWKMQE-WFASDCNBSA-N 2 0 287.423 1.703 10 0 CDAERP CCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]1C ZINC001331944712 957353972 /nfs/dbraw/zinc/35/39/72/957353972.db2.gz TYCCCTCZNIDRBK-OLZOCXBDSA-N 2 0 255.406 1.316 10 0 CDAERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H](C)[NH2+]Cc1cncs1 ZINC001424848327 957382465 /nfs/dbraw/zinc/38/24/65/957382465.db2.gz ZJCVBWCLLSRVEE-VXGBXAGGSA-N 2 0 296.440 1.222 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH+](C)CC(C)C)CC[N@@H+]1C ZINC001424954779 957421754 /nfs/dbraw/zinc/42/17/54/957421754.db2.gz ZSDMXDRHFGAQGG-SOUVJXGZSA-N 2 0 283.460 1.809 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@H]1CCC[C@H]([NH2+]CCCF)C1 ZINC001317359028 957436123 /nfs/dbraw/zinc/43/61/23/957436123.db2.gz UPVBIMPZIRUWFH-KBPBESRZSA-N 2 0 287.423 1.705 10 0 CDAERP CCC(CC)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001425079464 957463721 /nfs/dbraw/zinc/46/37/21/957463721.db2.gz SZXWMKSNVXLNCE-UKRRQHHQSA-N 2 0 283.460 1.811 10 0 CDAERP CCCC1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC001332335547 957521576 /nfs/dbraw/zinc/52/15/76/957521576.db2.gz XUWMSMNLHSVOHO-CQSZACIVSA-N 2 0 252.402 1.877 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001317528679 957531273 /nfs/dbraw/zinc/53/12/73/957531273.db2.gz UBBUULZDQNUALJ-CHWSQXEVSA-N 2 0 255.406 1.175 10 0 CDAERP CC(C)CC[NH+]1CC(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001494633902 972273486 /nfs/dbraw/zinc/27/34/86/972273486.db2.gz TZCPRPQGMKSIRO-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H](C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001425558252 957568023 /nfs/dbraw/zinc/56/80/23/957568023.db2.gz PUSBYFHJEHDRBC-CHWSQXEVSA-N 2 0 287.423 1.655 10 0 CDAERP CN(CC[NH2+]CCC(C)(C)C)C(=O)CCC[NH+](C)C ZINC001317634093 957612663 /nfs/dbraw/zinc/61/26/63/957612663.db2.gz NZSGPYUYNCLUAX-UHFFFAOYSA-N 2 0 271.449 1.812 10 0 CDAERP CC[N@H+](C)CCC(=O)N(C)CC[NH2+]CC=C(C)C ZINC001317649129 957621808 /nfs/dbraw/zinc/62/18/08/957621808.db2.gz FVFWLZFYFAFRLO-UHFFFAOYSA-N 2 0 255.406 1.342 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@]12CCC[C@@H]1[NH+](CCOC)CC2 ZINC001425907549 957640318 /nfs/dbraw/zinc/64/03/18/957640318.db2.gz NPFFKWIFSIAALQ-GOEBONIOSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CCCF)[C@@H]1C ZINC001425938761 957647376 /nfs/dbraw/zinc/64/73/76/957647376.db2.gz NFPLDUNCFVHASL-ZIAGYGMSSA-N 2 0 287.423 1.655 10 0 CDAERP CC(C)C[NH2+]CC(=O)NCCC[N@H+](C)CC(C)C ZINC001332745770 957705753 /nfs/dbraw/zinc/70/57/53/957705753.db2.gz VOUWYCXDSCDBMC-UHFFFAOYSA-N 2 0 257.422 1.326 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCF)C(C)(C)C ZINC001332769974 957824570 /nfs/dbraw/zinc/82/45/70/957824570.db2.gz BFOXHQCZXQTASI-RYUDHWBXSA-N 2 0 273.396 1.171 10 0 CDAERP COC[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001367373111 957975063 /nfs/dbraw/zinc/97/50/63/957975063.db2.gz HGIHYSLJXWAQHG-KBPBESRZSA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CC2CC2)C1 ZINC001367456886 958028579 /nfs/dbraw/zinc/02/85/79/958028579.db2.gz WPHNESCSTBGUFJ-GDBMZVCRSA-N 2 0 295.471 1.953 10 0 CDAERP CC[NH2+]CCOCCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001333259262 958192110 /nfs/dbraw/zinc/19/21/10/958192110.db2.gz MLKYDMFTEJKRQN-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CC[NH2+]CCC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001318928608 958308766 /nfs/dbraw/zinc/30/87/66/958308766.db2.gz KCLLSSBNJWRLHH-UHFFFAOYSA-N 2 0 279.428 1.320 10 0 CDAERP CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001319069920 958364265 /nfs/dbraw/zinc/36/42/65/958364265.db2.gz QLUXPRLKMQNMJN-HZPDHXFCSA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)[NH2+]C1(CNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001368011962 958577223 /nfs/dbraw/zinc/57/72/23/958577223.db2.gz GWBANVHYVVNVTL-UHFFFAOYSA-N 2 0 279.428 1.509 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH2+]CC3CCC3)CC2)C1 ZINC001368034706 958593098 /nfs/dbraw/zinc/59/30/98/958593098.db2.gz DLDZZQMLQYGXGZ-CQSZACIVSA-N 2 0 279.428 1.367 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]1C[N@H+](CC)CCC1(F)F)[NH+](C)C ZINC001368255991 958728335 /nfs/dbraw/zinc/72/83/35/958728335.db2.gz WXHDRZSYQKMETC-VXGBXAGGSA-N 2 0 291.386 1.420 10 0 CDAERP O=C(NCC[NH+]1CC=CC1)c1ccc(NC2=[NH+]CCC2)cc1 ZINC001334000413 958754297 /nfs/dbraw/zinc/75/42/97/958754297.db2.gz QUMMHMSEWRLJOU-UHFFFAOYSA-N 2 0 298.390 1.892 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[NH+](CC(C)C)C2 ZINC001368325746 958768184 /nfs/dbraw/zinc/76/81/84/958768184.db2.gz ISPQRPKNISKOTP-XHSDSOJGSA-N 2 0 295.471 1.953 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2C[C@@H]([NH2+]CC3CCC3)C2)C1 ZINC001368523955 958921077 /nfs/dbraw/zinc/92/10/77/958921077.db2.gz NQZNDNANSHHNTJ-HRCADAONSA-N 2 0 293.455 1.613 10 0 CDAERP CCCCC[N@H+](C)CCN(C)C(=O)[C@H]1CN(CC)CCO1 ZINC001320085957 958926711 /nfs/dbraw/zinc/92/67/11/958926711.db2.gz UNFPKWKACIPQBU-OAHLLOKOSA-N 2 0 299.459 1.288 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001368568437 958975216 /nfs/dbraw/zinc/97/52/16/958975216.db2.gz WWBPDBNGJNQEOO-UONOGXRCSA-N 2 0 287.423 1.467 10 0 CDAERP CCC[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001368603142 958992925 /nfs/dbraw/zinc/99/29/25/958992925.db2.gz BHOVZIUFVXKZOZ-KBUPBQIOSA-N 2 0 281.444 1.754 10 0 CDAERP O=C(C[NH+]1CCCC1)N[C@@H]1CCC[C@@H]1C[NH2+]C/C=C/Cl ZINC001320188689 958995767 /nfs/dbraw/zinc/99/57/67/958995767.db2.gz ZSXYMTVPPWORRP-HMJDLUCASA-N 2 0 299.846 1.709 10 0 CDAERP CC(C)CC[NH2+]CC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001320547258 959233281 /nfs/dbraw/zinc/23/32/81/959233281.db2.gz DEPHSHDKXIDJPO-GJZGRUSLSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@H](F)CC[NH+]1CC([C@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001369081987 959448065 /nfs/dbraw/zinc/44/80/65/959448065.db2.gz JPWKOONUUVXBKK-STQMWFEESA-N 2 0 299.434 1.655 10 0 CDAERP CCN(CC[NH2+]C/C=C/Cl)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001320902299 959449761 /nfs/dbraw/zinc/44/97/61/959449761.db2.gz REBNNAVVJHYERI-SBDDDAINSA-N 2 0 289.851 1.763 10 0 CDAERP CCN(CC[NH2+]CC[C@H](C)F)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001320921451 959457375 /nfs/dbraw/zinc/45/73/75/959457375.db2.gz MHAFJXNJIDQIAQ-STQMWFEESA-N 2 0 273.396 1.124 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@@H]2C[NH+](C(C)C)C[C@H]2C1 ZINC001369158143 959491066 /nfs/dbraw/zinc/49/10/66/959491066.db2.gz IOZZOUSBICBDJE-BZUAXINKSA-N 2 0 295.471 1.952 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NC/C=C/C[NH2+]CCC2CC2)CC[N@@H+]1C ZINC001321208968 959657928 /nfs/dbraw/zinc/65/79/28/959657928.db2.gz MPQIAYZSBQKENO-BVWQNDCPSA-N 2 0 293.455 1.779 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCC2CC2)C[C@H]1C ZINC001369393105 959659646 /nfs/dbraw/zinc/65/96/46/959659646.db2.gz BHTKIFKBNAOPSE-HIFRSBDPSA-N 2 0 281.444 1.707 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@]12CCC[C@H]1[NH+](C(C)C)CC2 ZINC001369405470 959667844 /nfs/dbraw/zinc/66/78/44/959667844.db2.gz COJGVMJACMSGCO-GDBMZVCRSA-N 2 0 281.444 1.850 10 0 CDAERP O=C(NC/C=C\C[NH2+]C/C=C/Cl)C12CC[NH+](CC1)C2 ZINC001321336954 959726642 /nfs/dbraw/zinc/72/66/42/959726642.db2.gz NZUDMNPQZQGIBE-HFMRILIHSA-N 2 0 283.803 1.097 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC/C=C/C[NH2+]CC1CCC1 ZINC001321418331 959775252 /nfs/dbraw/zinc/77/52/52/959775252.db2.gz BSDJTJWXVFYMCW-SNAWJCMRSA-N 2 0 267.417 1.389 10 0 CDAERP C[C@H](C[NH2+]CCF)NC(=O)c1sccc1C[NH+](C)C ZINC001321533191 959839354 /nfs/dbraw/zinc/83/93/54/959839354.db2.gz RDSRZVSMYYYYKP-SNVBAGLBSA-N 2 0 287.404 1.487 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001321642810 959886001 /nfs/dbraw/zinc/88/60/01/959886001.db2.gz XLPGVRCJFNJCRN-VXGBXAGGSA-N 2 0 273.396 1.171 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC001433617328 960456423 /nfs/dbraw/zinc/45/64/23/960456423.db2.gz QFAIVZMIBPNRTK-JJXSEGSLSA-N 2 0 293.455 1.850 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCCC2)C1 ZINC001433887140 960734145 /nfs/dbraw/zinc/73/41/45/960734145.db2.gz GJPPTYBLDCRYGG-AWEZNQCLSA-N 2 0 281.444 1.850 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1CCC(C)C ZINC001418637097 960835375 /nfs/dbraw/zinc/83/53/75/960835375.db2.gz OFNWIQPIPRWGOM-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CCOCCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H](C)C1 ZINC001324081533 961157267 /nfs/dbraw/zinc/15/72/67/961157267.db2.gz OEKQHJSOJNHQEK-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@H]1C[C@H]([NH2+]CCCF)CCN1C(=O)CCC[NH+](C)C ZINC001324082751 961157283 /nfs/dbraw/zinc/15/72/83/961157283.db2.gz SQTSEISBJWRVJK-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP CCN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001419167818 961455938 /nfs/dbraw/zinc/45/59/38/961455938.db2.gz WVCQUEBFJMIJDN-HOTGVXAUSA-N 2 0 295.471 1.907 10 0 CDAERP COCC[C@@H](C)[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001434486998 961515612 /nfs/dbraw/zinc/51/56/12/961515612.db2.gz GDDZXPUKMLKHPL-CYBMUJFWSA-N 2 0 270.417 1.644 10 0 CDAERP C[NH+](C)CC[C@@H]1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001419417654 961676966 /nfs/dbraw/zinc/67/69/66/961676966.db2.gz VYMQLOZIMSBTSN-OWCLPIDISA-N 2 0 295.471 1.907 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC[C@H](C)F)C1)[NH+](C)C ZINC001419417757 961677607 /nfs/dbraw/zinc/67/76/07/961677607.db2.gz JIEQNVQTMVWJPR-XDQVBPFNSA-N 2 0 287.423 1.558 10 0 CDAERP CC[C@H](C)C[N@@H+]1CCO[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001419570363 961825278 /nfs/dbraw/zinc/82/52/78/961825278.db2.gz SHLHGISGZZUGBZ-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP C[NH+](C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1CCF ZINC001419624085 961880416 /nfs/dbraw/zinc/88/04/16/961880416.db2.gz IUTIXTDDAVJVHU-LSDHHAIUSA-N 2 0 299.434 1.753 10 0 CDAERP CCCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001419639720 961907960 /nfs/dbraw/zinc/90/79/60/961907960.db2.gz WOQDDRREOSWQNH-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N(C)[C@H](C)C[NH2+]C(C)C ZINC001419683129 961959730 /nfs/dbraw/zinc/95/97/30/961959730.db2.gz PQSJERQYWYFNPG-OLZOCXBDSA-N 2 0 275.412 1.511 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001436695671 962351236 /nfs/dbraw/zinc/35/12/36/962351236.db2.gz UUMXHVNTKGDSJM-CABCVRRESA-N 2 0 281.444 1.707 10 0 CDAERP Cc1cccnc1C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001420272566 962665228 /nfs/dbraw/zinc/66/52/28/962665228.db2.gz NGEYCJHJROCEQA-HIFRSBDPSA-N 2 0 290.411 1.079 10 0 CDAERP CC[N@H+](CCNC(=O)CC[NH+](C)C)C[C@@H]1CCO[C@H](C)C1 ZINC001420429479 962899249 /nfs/dbraw/zinc/89/92/49/962899249.db2.gz YOYYDUPBOUCEGL-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)C[NH2+][C@@H](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001437856118 963212425 /nfs/dbraw/zinc/21/24/25/963212425.db2.gz VLYSXBKNCGQADD-AWEZNQCLSA-N 2 0 283.460 1.811 10 0 CDAERP C[N@H+](CCC1CC1)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001437992743 963278086 /nfs/dbraw/zinc/27/80/86/963278086.db2.gz SFZORALPAWWRFH-HZPDHXFCSA-N 2 0 293.455 1.519 10 0 CDAERP CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CC[C@H](C)F)C1)[NH+](C)C ZINC001420967782 963392418 /nfs/dbraw/zinc/39/24/18/963392418.db2.gz VFFSPLVWLMFEHD-IHRRRGAJSA-N 2 0 287.423 1.655 10 0 CDAERP CC[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC1CCC1 ZINC001438344475 963426079 /nfs/dbraw/zinc/42/60/79/963426079.db2.gz ZYEUROHGFKULEX-DZGCQCFKSA-N 2 0 281.444 1.613 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@]1(C)CC[NH+](CC[C@@H](C)F)C1 ZINC001421217322 963503142 /nfs/dbraw/zinc/50/31/42/963503142.db2.gz GETVPHYSIYSDKR-HIFRSBDPSA-N 2 0 287.423 1.657 10 0 CDAERP CC[NH2+]C1(CNC(=O)C[N@H+](C)CC(C)(C)C)CCOCC1 ZINC001421310455 963547642 /nfs/dbraw/zinc/54/76/42/963547642.db2.gz HJFRVWFCAGQICN-UHFFFAOYSA-N 2 0 299.459 1.239 10 0 CDAERP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@H+](C)CC[C@H]1CCCO1 ZINC001439412635 963757314 /nfs/dbraw/zinc/75/73/14/963757314.db2.gz WWSNYKBMDDYKMG-LSDHHAIUSA-N 2 0 299.459 1.332 10 0 CDAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CCC1 ZINC001440354960 963997178 /nfs/dbraw/zinc/99/71/78/963997178.db2.gz GUIBLHQYBNRSTM-ZIAGYGMSSA-N 2 0 299.434 1.705 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@H]1C[C@H]([NH2+]CC2CCC2)C1 ZINC001440360626 963999354 /nfs/dbraw/zinc/99/93/54/963999354.db2.gz GAXOTISRBXNAAL-SHTZXODSSA-N 2 0 279.428 1.367 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001440362367 964000030 /nfs/dbraw/zinc/00/00/30/964000030.db2.gz NHDCLJYHGBICBV-KBUPBQIOSA-N 2 0 281.444 1.469 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](CCF)CC[C@@H]2C1 ZINC001440475293 964070644 /nfs/dbraw/zinc/07/06/44/964070644.db2.gz VEFIBERFQKRWCZ-KGLIPLIRSA-N 2 0 285.407 1.076 10 0 CDAERP Cc1csc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CC[NH+](C)C)n1 ZINC001440825573 964198669 /nfs/dbraw/zinc/19/86/69/964198669.db2.gz CKEMBSOZUAQQMY-RYUDHWBXSA-N 2 0 298.456 1.386 10 0 CDAERP CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001440988746 964312054 /nfs/dbraw/zinc/31/20/54/964312054.db2.gz LPRWGTVYIBMTDQ-LSDHHAIUSA-N 2 0 293.455 1.851 10 0 CDAERP CC(C)CC[NH+]1CC([C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001441205744 964419812 /nfs/dbraw/zinc/41/98/12/964419812.db2.gz KSXHKROMLCRWEK-HUUCEWRRSA-N 2 0 295.471 1.811 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]([NH2+]CCC2CC2)C2CC2)C1 ZINC001441258413 964437926 /nfs/dbraw/zinc/43/79/26/964437926.db2.gz SKCACYIUTZZBIL-LSDHHAIUSA-N 2 0 279.428 1.223 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]C(C)C)C1CC1 ZINC001441292405 964451457 /nfs/dbraw/zinc/45/14/57/964451457.db2.gz GSBBOHICWCMBEJ-CABCVRRESA-N 2 0 281.444 1.754 10 0 CDAERP C[C@@H](O)C[NH2+][C@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001441870924 964759845 /nfs/dbraw/zinc/75/98/45/964759845.db2.gz KOXVSRUMJVNOIT-CHWSQXEVSA-N 2 0 299.459 1.115 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(F)cc1 ZINC001442055897 964850576 /nfs/dbraw/zinc/85/05/76/964850576.db2.gz VOSFOMOJVJWXIG-TZMCWYRMSA-N 2 0 293.386 1.372 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C1CC[NH+](CC2CC2)CC1 ZINC001442223229 964931788 /nfs/dbraw/zinc/93/17/88/964931788.db2.gz HVYFSDNWWONNPV-AWEZNQCLSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@@H](CCNC(=O)CC[NH+](C)C)[NH2+]C/C(Cl)=C/Cl ZINC001442291263 964974682 /nfs/dbraw/zinc/97/46/82/964974682.db2.gz QWMRSNCLBOGTGP-DFYQSJSGSA-N 2 0 296.242 1.742 10 0 CDAERP CC(C)CC[N@H+](C)CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001442600610 965128795 /nfs/dbraw/zinc/12/87/95/965128795.db2.gz DBWAXTUAETYKBY-GJZGRUSLSA-N 2 0 283.460 1.953 10 0 CDAERP CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001558103102 965232885 /nfs/dbraw/zinc/23/28/85/965232885.db2.gz OHJODPXNZTUBAW-MELADBBJSA-N 2 0 267.417 1.317 10 0 CDAERP CCC[N@H+](CCF)CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001442967822 965299580 /nfs/dbraw/zinc/29/95/80/965299580.db2.gz MJOCZJFQYZZRSR-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccns1 ZINC001444040336 965720400 /nfs/dbraw/zinc/72/04/00/965720400.db2.gz OOTFOIQWXCGVMV-LBPRGKRZSA-N 2 0 296.440 1.223 10 0 CDAERP C[C@H](C[NH2+]CC1CC1)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001444590160 965891848 /nfs/dbraw/zinc/89/18/48/965891848.db2.gz AYSPAJPATDYIAP-IUODEOHRSA-N 2 0 279.428 1.175 10 0 CDAERP C[C@H](C[NH2+]Cc1ccc(F)cc1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001445500519 966212433 /nfs/dbraw/zinc/21/24/33/966212433.db2.gz LXRHSFATUXEEBX-OCCSQVGLSA-N 2 0 293.386 1.372 10 0 CDAERP [NH3+][C@H](C(=O)N1CCC2(CC[NH2+]2)CC1)C1CCCCC1 ZINC001349398196 966335408 /nfs/dbraw/zinc/33/54/08/966335408.db2.gz GDBNBVVSNQTUMS-ZDUSSCGKSA-N 2 0 265.401 1.249 10 0 CDAERP CN(C(=O)CCC[NH+]1CCCC1)C1C[NH+](CC2CC2)C1 ZINC001446416232 966537866 /nfs/dbraw/zinc/53/78/66/966537866.db2.gz RFDBZDVITCLODB-UHFFFAOYSA-N 2 0 279.428 1.415 10 0 CDAERP CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001446597127 966594744 /nfs/dbraw/zinc/59/47/44/966594744.db2.gz AGUBPZOKPGMIJS-HOCLYGCPSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[N@@H+]1CCCC[C@@H]1C(=O)NC12CC[NH+](CC1)C2 ZINC001350837275 966776987 /nfs/dbraw/zinc/77/69/87/966776987.db2.gz YVTRVVNXEIWFAO-CYBMUJFWSA-N 2 0 265.401 1.215 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001447930449 966929364 /nfs/dbraw/zinc/92/93/64/966929364.db2.gz NAIFSSHUPBSHAA-KBPBESRZSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC001544362831 967357789 /nfs/dbraw/zinc/35/77/89/967357789.db2.gz JVCFVEFCBPLFIJ-HZSPNIEDSA-N 2 0 269.433 1.373 10 0 CDAERP C[N@H+](CCN1CC[NH+]2C[C@@H](F)C[C@H]2C1)Cc1ccccc1 ZINC001460900111 969562120 /nfs/dbraw/zinc/56/21/20/969562120.db2.gz LJWJEZBLFXSZQF-IRXDYDNUSA-N 2 0 291.414 1.846 10 0 CDAERP OC1(C[NH+]2CCCCC2)CC[NH+](CC[C@H]2CCOC2)CC1 ZINC001460951355 969572175 /nfs/dbraw/zinc/57/21/75/969572175.db2.gz YQQHHTMDKBVTDZ-INIZCTEOSA-N 2 0 296.455 1.726 10 0 CDAERP CC[C@H]1CCCC[N@@H+]1CCNC(=O)CC[NH+]1CC[C@H](F)C1 ZINC001465021051 969839109 /nfs/dbraw/zinc/83/91/09/969839109.db2.gz JCUKUIBETADQIO-GJZGRUSLSA-N 2 0 299.434 1.801 10 0 CDAERP CC[N@H+](C)[C@@H]1CCN(C(=O)NC[C@H]2CC[NH+]2C(C)(C)C)C1 ZINC001413889552 970024015 /nfs/dbraw/zinc/02/40/15/970024015.db2.gz BHJJYPHJSAAKLD-ZIAGYGMSSA-N 2 0 296.459 1.595 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)[C@@H](C)CC[NH+](C)C)CC1 ZINC001361728675 970467119 /nfs/dbraw/zinc/46/71/19/970467119.db2.gz MSYAJZOAAZQCNH-AWEZNQCLSA-N 2 0 283.460 1.812 10 0 CDAERP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+](CC2CCC2)C1 ZINC001569646158 1169951604 /nfs/dbraw/zinc/95/16/04/1169951604.db2.gz DZSNJSFDCIPEMY-OAHLLOKOSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCF ZINC001496573886 972976096 /nfs/dbraw/zinc/97/60/96/972976096.db2.gz IHFNEPQYFBPIBX-QWHCGFSZSA-N 2 0 273.396 1.171 10 0 CDAERP CCOCCC[N@@H+]1CC[C@](C)(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001569651624 1169954383 /nfs/dbraw/zinc/95/43/83/1169954383.db2.gz TXQUZBUPIYFTPS-HOCLYGCPSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]CCF ZINC001496639828 973003304 /nfs/dbraw/zinc/00/33/04/973003304.db2.gz SYZMTJBDEBOVMN-LBPRGKRZSA-N 2 0 261.385 1.027 10 0 CDAERP CN(CC[N@H+](C)Cc1cccc(F)c1)C(=O)CC[NH+](C)C ZINC001496776513 973091527 /nfs/dbraw/zinc/09/15/27/973091527.db2.gz CRDQTGHTBDMMPF-UHFFFAOYSA-N 2 0 295.402 1.668 10 0 CDAERP Cc1cnc([C@H](C)[NH2+]CC[C@@H](C)NC(=O)CC[NH+](C)C)o1 ZINC001497266178 973268224 /nfs/dbraw/zinc/26/82/24/973268224.db2.gz XHSGQVQMQQXGCP-YPMHNXCESA-N 2 0 296.415 1.480 10 0 CDAERP CC[NH2+]CCN(CC)C(=O)c1sccc1C[NH+](C)C ZINC001497399943 973331826 /nfs/dbraw/zinc/33/18/26/973331826.db2.gz YSTQRSZAXRZSQL-UHFFFAOYSA-N 2 0 283.441 1.881 10 0 CDAERP CC(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001373317635 973360640 /nfs/dbraw/zinc/36/06/40/973360640.db2.gz UOBBGXBKPPBOCT-INIZCTEOSA-N 2 0 295.471 1.909 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccon2)C1 ZINC001417807198 973396354 /nfs/dbraw/zinc/39/63/54/973396354.db2.gz FTHPCQMURJHQTP-QWHCGFSZSA-N 2 0 294.399 1.001 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]([NH2+]CC1CC1)C1CC1 ZINC001417985926 973513563 /nfs/dbraw/zinc/51/35/63/973513563.db2.gz LHMSQVYYIZGOOE-JKSUJKDBSA-N 2 0 293.455 1.755 10 0 CDAERP C[NH+](C)CCCC(=O)N1CCC[C@@H]2C[N@H+](CCF)CC[C@@H]21 ZINC001418084038 973572866 /nfs/dbraw/zinc/57/28/66/973572866.db2.gz WEBDNYPIMVLWMH-CABCVRRESA-N 2 0 299.434 1.611 10 0 CDAERP CC1CC[NH+](CC(=O)N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)CC1 ZINC001418159845 973614659 /nfs/dbraw/zinc/61/46/59/973614659.db2.gz BIVTZMHOGLAKMB-ZIAGYGMSSA-N 2 0 281.444 1.563 10 0 CDAERP Cc1ncccc1C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001418216055 973670369 /nfs/dbraw/zinc/67/03/69/973670369.db2.gz RUGHOHDDOKRNBI-DOMZBBRYSA-N 2 0 290.411 1.079 10 0 CDAERP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001418303309 973740697 /nfs/dbraw/zinc/74/06/97/973740697.db2.gz NIEXLAKDBFLODL-CYBMUJFWSA-N 2 0 283.460 1.859 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]([NH2+]C(C)C)C1 ZINC001418326313 973749060 /nfs/dbraw/zinc/74/90/60/973749060.db2.gz YOKDLAOQVYOENS-QWHCGFSZSA-N 2 0 273.396 1.265 10 0 CDAERP C[C@H](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CC1CCC1 ZINC001418396005 973798184 /nfs/dbraw/zinc/79/81/84/973798184.db2.gz MXHMCNGQZUSHIS-CJNGLKHVSA-N 2 0 293.455 1.613 10 0 CDAERP CC[C@H](F)C[NH2+]CCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001498641733 974008919 /nfs/dbraw/zinc/00/89/19/974008919.db2.gz ODANFVLOWLISAR-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP CCOCCC[N@@H+]1CC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001498991820 974149236 /nfs/dbraw/zinc/14/92/36/974149236.db2.gz SCZLPPKONLLWCW-CQSZACIVSA-N 2 0 297.443 1.088 10 0 CDAERP CCC(CC)C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001499448700 974257118 /nfs/dbraw/zinc/25/71/18/974257118.db2.gz PGVKOVYUSZPGGI-UHFFFAOYSA-N 2 0 281.444 1.757 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCCC1 ZINC001375793688 974478556 /nfs/dbraw/zinc/47/85/56/974478556.db2.gz OHVVUHCPQZJSAN-BPLDGKMQSA-N 2 0 281.444 1.611 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001376127288 974572918 /nfs/dbraw/zinc/57/29/18/974572918.db2.gz GMQWYQQTTMMFFF-GJZGRUSLSA-N 2 0 299.434 1.657 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC[C@H]2CCCCO2)C1 ZINC001376153165 974586077 /nfs/dbraw/zinc/58/60/77/974586077.db2.gz PZLIJEQLKWGXFG-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@@H](O)CCC[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001376574741 974690283 /nfs/dbraw/zinc/69/02/83/974690283.db2.gz HYHZCZGCNVEUPQ-CABCVRRESA-N 2 0 299.459 1.070 10 0 CDAERP CC(C)[NH+]1CCC2(CN(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001376625259 974699774 /nfs/dbraw/zinc/69/97/74/974699774.db2.gz NCOSFPTWHYWYAL-UHFFFAOYSA-N 2 0 281.444 1.661 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC1CCCC1 ZINC001376795793 974772710 /nfs/dbraw/zinc/77/27/10/974772710.db2.gz RERBWBQWJBPYEA-HIFRSBDPSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1[NH2+]CCCF ZINC001502745040 974774772 /nfs/dbraw/zinc/77/47/72/974774772.db2.gz OKEIGRLTYRFADM-HIFRSBDPSA-N 2 0 299.434 1.514 10 0 CDAERP CCCC[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001502754337 974775976 /nfs/dbraw/zinc/77/59/76/974775976.db2.gz OXCTWAWZVOIYPK-KBPBESRZSA-N 2 0 279.428 1.319 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001376895569 974806697 /nfs/dbraw/zinc/80/66/97/974806697.db2.gz LILITWYYUCLVSC-AWEZNQCLSA-N 2 0 297.443 1.088 10 0 CDAERP CC[N@H+](C)CCCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001377022377 974858231 /nfs/dbraw/zinc/85/82/31/974858231.db2.gz WLRMDHLBKHWLGM-OAHLLOKOSA-N 2 0 283.460 1.907 10 0 CDAERP C[C@@H](F)CC[NH2+][C@@H](C)CCNC(=O)C[NH+]1CCCC1 ZINC001377105345 974882830 /nfs/dbraw/zinc/88/28/30/974882830.db2.gz IASZQADLVISGHN-OLZOCXBDSA-N 2 0 273.396 1.315 10 0 CDAERP CC(C)=CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001505461077 974887272 /nfs/dbraw/zinc/88/72/72/974887272.db2.gz DOWPCWMYORIACE-HZPDHXFCSA-N 2 0 293.455 1.827 10 0 CDAERP C[C@H](NC(=O)C1([NH+](C)C)CCC1)[C@H](C)[NH2+]CC1CCC1 ZINC001505621907 974941544 /nfs/dbraw/zinc/94/15/44/974941544.db2.gz NCPZLECBHMBXAB-STQMWFEESA-N 2 0 281.444 1.754 10 0 CDAERP CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001506065860 975105925 /nfs/dbraw/zinc/10/59/25/975105925.db2.gz XMWKGMYNZFQULT-OLZOCXBDSA-N 2 0 255.406 1.317 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)C[C@@H]1CCCCO1 ZINC001506065922 975106357 /nfs/dbraw/zinc/10/63/57/975106357.db2.gz YOLMVLGKIZIZTD-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP CCC[NH2+]CC1(NC(=O)[C@@H]2CN(C)CCO2)CCCCC1 ZINC001506501148 975170527 /nfs/dbraw/zinc/17/05/27/975170527.db2.gz SYTHMVDUTUYXIF-AWEZNQCLSA-N 2 0 297.443 1.136 10 0 CDAERP CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)[NH2+]Cc1cnoc1C ZINC001378260261 975312001 /nfs/dbraw/zinc/31/20/01/975312001.db2.gz GMKOJBFCJLVCAQ-ZIAGYGMSSA-N 2 0 296.415 1.308 10 0 CDAERP CC[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]C/C=C\Cl ZINC001378316432 975328720 /nfs/dbraw/zinc/32/87/20/975328720.db2.gz KFECLHWYTDLZOX-NMTKSXOJSA-N 2 0 287.835 1.565 10 0 CDAERP C[C@H](CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CCCF ZINC001507087327 975330790 /nfs/dbraw/zinc/33/07/90/975330790.db2.gz XGOINVDSAYVMLH-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)C[NH2+]C[C@](C)(NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001378392524 975344677 /nfs/dbraw/zinc/34/46/77/975344677.db2.gz OMTHFQYVEKVNSH-HOCLYGCPSA-N 2 0 281.444 1.611 10 0 CDAERP CCCCC[NH2+][C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001507149897 975354596 /nfs/dbraw/zinc/35/45/96/975354596.db2.gz RZTIOZNSJYHJMG-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP CCCC[NH2+][C@@H](C)CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001507149804 975355128 /nfs/dbraw/zinc/35/51/28/975355128.db2.gz RLVNTSQVOFCNHS-STQMWFEESA-N 2 0 257.422 1.563 10 0 CDAERP CCCC[N@@H+]1CC[C@@H](CCNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001404504824 975412643 /nfs/dbraw/zinc/41/26/43/975412643.db2.gz BXBYHPDKJRMIPX-JKSUJKDBSA-N 2 0 295.471 1.957 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@@]12CCC[C@@H]1[N@H+](CCCF)CC2 ZINC001507347075 975426795 /nfs/dbraw/zinc/42/67/95/975426795.db2.gz GKEWPJTZRQAQSN-GOEBONIOSA-N 2 0 299.434 1.801 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001397071069 975454065 /nfs/dbraw/zinc/45/40/65/975454065.db2.gz AMJWQEISBIJCLR-BYNSBNAKSA-N 2 0 281.444 1.611 10 0 CDAERP CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC1(C)C ZINC001507454167 975475029 /nfs/dbraw/zinc/47/50/29/975475029.db2.gz SVQQCCMNHAOZEU-CYBMUJFWSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)[NH+](C)CC(=O)NC[C@@H]1[C@H]2C[N@H+](CC[C@H](C)F)C[C@H]21 ZINC001378756511 975478206 /nfs/dbraw/zinc/47/82/06/975478206.db2.gz SKBFKYAZENXFLV-ZQDZILKHSA-N 2 0 299.434 1.369 10 0 CDAERP CC(C)C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCCC1 ZINC001401187054 975499251 /nfs/dbraw/zinc/49/92/51/975499251.db2.gz GYZRXIUYQSHDGW-UHFFFAOYSA-N 2 0 281.444 1.757 10 0 CDAERP CCC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001397215073 975501461 /nfs/dbraw/zinc/50/14/61/975501461.db2.gz LZXZIOIVWUYFFQ-GJZGRUSLSA-N 2 0 299.459 1.022 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NCC2C[NH+](CCC3CC3)C2)C1 ZINC001404921380 975542332 /nfs/dbraw/zinc/54/23/32/975542332.db2.gz MFOPZEORESPXER-CQSZACIVSA-N 2 0 279.428 1.176 10 0 CDAERP CC(C)[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCF ZINC001378979581 975574486 /nfs/dbraw/zinc/57/44/86/975574486.db2.gz IHFNEPQYFBPIBX-OLZOCXBDSA-N 2 0 273.396 1.171 10 0 CDAERP CC(C)C[NH2+][C@H](CNC(=O)C[N@H+](C)C(C)C)C(C)C ZINC001401357193 975609865 /nfs/dbraw/zinc/60/98/65/975609865.db2.gz SCPWWWDYQRDMBG-CQSZACIVSA-N 2 0 271.449 1.713 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@@H]2CC[NH+]2CC2CC2)C1 ZINC001397561241 975631500 /nfs/dbraw/zinc/63/15/00/975631500.db2.gz AEWIOLQJDZWDGN-HIFRSBDPSA-N 2 0 279.428 1.271 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1CC1 ZINC001397730982 975692766 /nfs/dbraw/zinc/69/27/66/975692766.db2.gz JQGXANWUOUVEDH-ZBFHGGJFSA-N 2 0 295.471 1.953 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC[C@H](C)F)[C@@H]1C ZINC001397799685 975723324 /nfs/dbraw/zinc/72/33/24/975723324.db2.gz DEVFQXOAILLQRO-MJBXVCDLSA-N 2 0 287.423 1.655 10 0 CDAERP Cc1nc(C[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C)sc1C ZINC001401701637 975812396 /nfs/dbraw/zinc/81/23/96/975812396.db2.gz XPMXSIWUYYIEID-JTQLQIEISA-N 2 0 298.456 1.306 10 0 CDAERP C[C@@H](C[NH2+]CC1CCCC1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001401705561 975817232 /nfs/dbraw/zinc/81/72/32/975817232.db2.gz FEGJIGHAWUWOPR-KBPBESRZSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@@H](C[NH2+]CC1CCCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001401717755 975827926 /nfs/dbraw/zinc/82/79/26/975827926.db2.gz NNLTYVIGEBSGQS-ZDUSSCGKSA-N 2 0 279.428 1.367 10 0 CDAERP CC[C@H](C)C[N@@H+]1CCO[C@@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001405741176 975843810 /nfs/dbraw/zinc/84/38/10/975843810.db2.gz PAJKIDBLIMBYNX-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)OCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001401745294 975873615 /nfs/dbraw/zinc/87/36/15/975873615.db2.gz ATNYAAFPGQMIHY-RBSFLKMASA-N 2 0 299.459 1.188 10 0 CDAERP CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)C1CC1 ZINC001389695332 975957629 /nfs/dbraw/zinc/95/76/29/975957629.db2.gz RRGUEEDSQBLUEJ-GJZGRUSLSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@H](F)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001389757596 975974478 /nfs/dbraw/zinc/97/44/78/975974478.db2.gz IRYOFVRSTVZCKS-MELADBBJSA-N 2 0 285.407 1.361 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1[NH+](C(C)C)CC2 ZINC001379637154 975978523 /nfs/dbraw/zinc/97/85/23/975978523.db2.gz SJSCGMAJGJSOBV-ZBFHGGJFSA-N 2 0 281.444 1.850 10 0 CDAERP CCCC[N@@H+]1CC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001401893353 975979517 /nfs/dbraw/zinc/97/95/17/975979517.db2.gz WBFLCCJQELRBOI-CABCVRRESA-N 2 0 281.444 1.851 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001379686974 976008969 /nfs/dbraw/zinc/00/89/69/976008969.db2.gz HKLKCAOSDRPXCQ-CABCVRRESA-N 2 0 293.455 1.613 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC001389872774 976027653 /nfs/dbraw/zinc/02/76/53/976027653.db2.gz IYLMYYBIQAGOJI-HAQNSBGRSA-N 2 0 289.370 1.220 10 0 CDAERP O=C(NCC1([NH2+]Cc2ccccc2)CC1)C12CC[NH+](CC1)C2 ZINC001401977618 976056336 /nfs/dbraw/zinc/05/63/36/976056336.db2.gz SKOAZOYLRWPQBX-UHFFFAOYSA-N 2 0 299.418 1.521 10 0 CDAERP COC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001389976421 976071868 /nfs/dbraw/zinc/07/18/68/976071868.db2.gz AAYQMYGMGMZOLF-MCIONIFRSA-N 2 0 297.443 1.133 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H](C[NH2+]CC1CC1)C1CC1 ZINC001379863976 976108678 /nfs/dbraw/zinc/10/86/78/976108678.db2.gz BTCNKJDUTQJLBQ-JKSUJKDBSA-N 2 0 293.455 1.755 10 0 CDAERP C[C@H](F)CC[NH+]1CCC(C)(NC(=O)CC[NH+](C)C)CC1 ZINC001402075459 976110361 /nfs/dbraw/zinc/11/03/61/976110361.db2.gz FMBZCVGPQSDUAQ-ZDUSSCGKSA-N 2 0 287.423 1.657 10 0 CDAERP CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001390077879 976112672 /nfs/dbraw/zinc/11/26/72/976112672.db2.gz LVEABDUVYYIZNV-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H](C[NH2+]CC2CCC2)C1 ZINC001390103231 976119391 /nfs/dbraw/zinc/11/93/91/976119391.db2.gz ZMJKMYFTJUIENC-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001379918989 976128659 /nfs/dbraw/zinc/12/86/59/976128659.db2.gz OGEOSTPCGHFQAZ-HZPDHXFCSA-N 2 0 295.471 2.000 10 0 CDAERP C[C@H](NC(=O)CC[NH+](C)C)[C@H]1CCC[N@H+](CC2CCC2)C1 ZINC001390204698 976168833 /nfs/dbraw/zinc/16/88/33/976168833.db2.gz WGDBWGVSPLTWFQ-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP Cc1ccc(C[NH2+][C@H](C)CNC(=O)CC[NH+](C)C)c(C)n1 ZINC001390468249 976311218 /nfs/dbraw/zinc/31/12/18/976311218.db2.gz OVXYHPUWXKHFPL-CYBMUJFWSA-N 2 0 292.427 1.244 10 0 CDAERP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CCC1CCCC1 ZINC001390515024 976346551 /nfs/dbraw/zinc/34/65/51/976346551.db2.gz VQAGDHKJRQFWER-CQSZACIVSA-N 2 0 293.455 1.757 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@](C)(CNC(=O)Cn2ccnc2)C1 ZINC001380494975 976435648 /nfs/dbraw/zinc/43/56/48/976435648.db2.gz HBYVZWMNYCSCCU-MRXNPFEDSA-N 2 0 292.427 1.757 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CC1CC(C)(C)C1 ZINC001390739711 976470305 /nfs/dbraw/zinc/47/03/05/976470305.db2.gz CIQQICBUUFXFDE-CQSZACIVSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)CN1CC(N(C)C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001407086918 976545830 /nfs/dbraw/zinc/54/58/30/976545830.db2.gz JIPVBILYSPFRCL-UHFFFAOYSA-N 2 0 283.460 1.763 10 0 CDAERP CC[N@H+](C)Cc1ccccc1CNC(=O)C[NH+]1CCCC1 ZINC001380780000 976549830 /nfs/dbraw/zinc/54/98/30/976549830.db2.gz PKHQOQGFFCNWFJ-UHFFFAOYSA-N 2 0 289.423 1.850 10 0 CDAERP CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1ccccc1F)[NH+](C)C ZINC001402921472 976587997 /nfs/dbraw/zinc/58/79/97/976587997.db2.gz QKFXVABAVWTBFF-SWLSCSKDSA-N 2 0 295.402 1.760 10 0 CDAERP C[N@H+](CCCC1CCC1)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001399646842 976620037 /nfs/dbraw/zinc/62/00/37/976620037.db2.gz VTBHVPIEKMRVAC-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP CCC[N@@H+]1CCC[C@@](C)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001407292956 976629139 /nfs/dbraw/zinc/62/91/39/976629139.db2.gz HABJKCZELJAUFG-INIZCTEOSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cccnc1 ZINC001403012637 976661236 /nfs/dbraw/zinc/66/12/36/976661236.db2.gz NFULESNWSLNTFQ-UONOGXRCSA-N 2 0 292.427 1.406 10 0 CDAERP C[C@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]CCC(F)(F)F ZINC001403039967 976673985 /nfs/dbraw/zinc/67/39/85/976673985.db2.gz JZTXSTAJQUIOSQ-QWRGUYRKSA-N 2 0 297.365 1.763 10 0 CDAERP CCc1ccc(C[NH2+][C@@H](C)CNC(=O)CC[NH+](C)C)cc1 ZINC001403052311 976683435 /nfs/dbraw/zinc/68/34/35/976683435.db2.gz SQUCXIQGWWSRMY-AWEZNQCLSA-N 2 0 291.439 1.795 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CC1CC1 ZINC001403140136 976755228 /nfs/dbraw/zinc/75/52/28/976755228.db2.gz DQDIWCBFMMFRJC-GDBMZVCRSA-N 2 0 295.471 1.953 10 0 CDAERP C[N@H+](CCC1CC1)C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001381318973 976757865 /nfs/dbraw/zinc/75/78/65/976757865.db2.gz OPDHTKJTWZMNJY-MRXNPFEDSA-N 2 0 293.455 1.805 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001403200161 976806265 /nfs/dbraw/zinc/80/62/65/976806265.db2.gz KQXFTFZULQNZIN-GJZGRUSLSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)(C(=O)NCC[C@@H]1CC[N@H+](CCF)C1)[NH+]1CCCC1 ZINC001391320216 976812372 /nfs/dbraw/zinc/81/23/72/976812372.db2.gz PWLNPHGEKPWKEO-CQSZACIVSA-N 2 0 299.434 1.659 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001391382972 976850972 /nfs/dbraw/zinc/85/09/72/976850972.db2.gz XBOXENMLAVPYGX-CABCVRRESA-N 2 0 281.444 1.851 10 0 CDAERP C[N@H+](CCCF)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001403281359 976852353 /nfs/dbraw/zinc/85/23/53/976852353.db2.gz PRLDDDZEBSHAIM-KGLIPLIRSA-N 2 0 285.407 1.363 10 0 CDAERP CC(C)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)C(C)(C)C1 ZINC001403354382 976906175 /nfs/dbraw/zinc/90/61/75/976906175.db2.gz DMZWOIXQOLOHTR-OAHLLOKOSA-N 2 0 295.471 1.953 10 0 CDAERP CCC[NH+]1CC([C@@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001381787196 977019117 /nfs/dbraw/zinc/01/91/17/977019117.db2.gz MRROMPQIOXOWRE-HIFRSBDPSA-N 2 0 281.444 1.707 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@@H]1[C@H]2C[N@@H+](CC3CCC3)C[C@H]21 ZINC001381921618 977082033 /nfs/dbraw/zinc/08/20/33/977082033.db2.gz MADUMQQISYGFLX-PHZGNYQRSA-N 2 0 291.439 1.176 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001400626766 977114895 /nfs/dbraw/zinc/11/48/95/977114895.db2.gz DJBXRLOKSCUCKW-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP COc1ccc(C[N@H+](C)CCNC(=O)CC[NH+](C)C)cc1 ZINC001403657454 977130505 /nfs/dbraw/zinc/13/05/05/977130505.db2.gz JXMMWNBMSMIHAB-UHFFFAOYSA-N 2 0 293.411 1.195 10 0 CDAERP CC(C)C[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001382123985 977176773 /nfs/dbraw/zinc/17/67/73/977176773.db2.gz QLAUJUSIIVJEGD-CQSZACIVSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)CCC1CCOCC1 ZINC001403793911 977196351 /nfs/dbraw/zinc/19/63/51/977196351.db2.gz VDDAHFXGDVYDFP-UHFFFAOYSA-N 2 0 299.459 1.191 10 0 CDAERP CC[NH2+][C@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)CC1(C)C ZINC001382368853 977267106 /nfs/dbraw/zinc/26/71/06/977267106.db2.gz MIOQYCPSXBNTLX-KBPBESRZSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001392507844 977467232 /nfs/dbraw/zinc/46/72/32/977467232.db2.gz AADMDIIOOOBVGJ-ZIAGYGMSSA-N 2 0 295.471 1.859 10 0 CDAERP C[C@H](C[N@H+](C)CCCF)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001392642535 977523903 /nfs/dbraw/zinc/52/39/03/977523903.db2.gz JPYDHFOAEYTGJO-JHJVBQTASA-N 2 0 273.396 1.123 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]Cc1nccs1)C1CC1 ZINC001392786513 977597217 /nfs/dbraw/zinc/59/72/17/977597217.db2.gz ASWASGCTDNIPLF-LBPRGKRZSA-N 2 0 296.440 1.079 10 0 CDAERP CC(C)(C(=O)NCC1([NH2+]CC2CCC2)CC1)[NH+]1CCCC1 ZINC001392924223 977652244 /nfs/dbraw/zinc/65/22/44/977652244.db2.gz IRBWHPUFNYAGRS-UHFFFAOYSA-N 2 0 293.455 1.899 10 0 CDAERP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1C[NH+](CCCC(C)(C)C)C1 ZINC001393017794 977677020 /nfs/dbraw/zinc/67/70/20/977677020.db2.gz KEDQYGYDIZXZCX-CQSZACIVSA-N 2 0 295.471 1.907 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N1CCC[C@@H]1C[N@@H+](C)CC ZINC001393866578 977939324 /nfs/dbraw/zinc/93/93/24/977939324.db2.gz CJPOXIVJJULCCJ-KGLIPLIRSA-N 2 0 287.423 1.609 10 0 CDAERP CC(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001393957636 977983931 /nfs/dbraw/zinc/98/39/31/977983931.db2.gz ZNXDHKDOPUWMPA-ZIAGYGMSSA-N 2 0 281.444 1.754 10 0 CDAERP C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)[NH2+]C/C=C\Cl ZINC001393979434 977995505 /nfs/dbraw/zinc/99/55/05/977995505.db2.gz UYGHZIZQANBUDG-PRTUSXBOSA-N 2 0 287.835 1.564 10 0 CDAERP CC[C@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3CC3)C[C@H]21)[NH+](C)C ZINC001394323182 978134078 /nfs/dbraw/zinc/13/40/78/978134078.db2.gz PNFFOJOFLDHXOO-APIJFGDWSA-N 2 0 279.428 1.031 10 0 CDAERP CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1cc(C)no1)[NH+](C)C ZINC001394535076 978196510 /nfs/dbraw/zinc/19/65/10/978196510.db2.gz DRQVNUCHKOAWOY-TZMCWYRMSA-N 2 0 296.415 1.260 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@]12CCC[C@H]1[NH+](CCCF)CC2 ZINC001394683415 978230270 /nfs/dbraw/zinc/23/02/70/978230270.db2.gz FVCHQCNDIATNAE-GDBMZVCRSA-N 2 0 299.434 1.799 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C[NH2+]CC2CCC2)C1 ZINC001394702841 978235016 /nfs/dbraw/zinc/23/50/16/978235016.db2.gz BOJYTZPFOPCODO-LSDHHAIUSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001394828418 978277239 /nfs/dbraw/zinc/27/72/39/978277239.db2.gz OXVJHLMIVBOWQY-KGLIPLIRSA-N 2 0 283.460 1.715 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N(C)C1CC([NH2+]CC[C@@H](C)F)C1 ZINC001394861803 978287815 /nfs/dbraw/zinc/28/78/15/978287815.db2.gz QTXGHLNJKJIHJN-IYXRBSQSSA-N 2 0 287.423 1.654 10 0 CDAERP CC/C=C/CC[N@H+](C)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001675030294 1174063857 /nfs/dbraw/zinc/06/38/57/1174063857.db2.gz GVHRIQRKLJOULV-LLYBFZRZSA-N 2 0 293.455 1.875 10 0 CDAERP CC(C)=CC[NH+]1CC([C@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001675317595 1174100934 /nfs/dbraw/zinc/10/09/34/1174100934.db2.gz JNZNBLPTUZAQSN-AWEZNQCLSA-N 2 0 293.455 1.873 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCOC1CCC1 ZINC001676318208 1174206900 /nfs/dbraw/zinc/20/69/00/1174206900.db2.gz IVOWZWPRBAQTGR-ZFWWWQNUSA-N 2 0 297.443 1.086 10 0 CDAERP CCC[NH2+]CCN(CCO)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001569950644 1170045169 /nfs/dbraw/zinc/04/51/69/1170045169.db2.gz PHLJCTLGQJRIKN-HNNXBMFYSA-N 2 0 299.459 1.070 10 0 CDAERP C[C@H](O)CCC[NH2+][C@@H](C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001571391243 1170407086 /nfs/dbraw/zinc/40/70/86/1170407086.db2.gz XYGLMRAHAWMUIH-KBPBESRZSA-N 2 0 299.459 1.068 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC000601004780 342457738 /nfs/dbraw/zinc/45/77/38/342457738.db2.gz SSORITJNYBDRGE-ZNMIVQPWSA-N 2 0 281.444 1.850 10 0 CDAERP CC(=O)Nc1ccc(C[NH2+]CCC2(C[NH3+])CC2)cc1 ZINC000650712281 398154804 /nfs/dbraw/zinc/15/48/04/398154804.db2.gz ZBNMBINGIHEEKT-UHFFFAOYSA-N 2 0 261.369 1.864 10 0 CDAERP [NH3+]CC1(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000650713766 398156638 /nfs/dbraw/zinc/15/66/38/398156638.db2.gz BDFQNFVVMMKNCK-BFHYXJOUSA-N 3 0 251.418 1.626 10 0 CDAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCC2(C[NH3+])CC2)[C@@H](C)C1 ZINC000650743928 398173127 /nfs/dbraw/zinc/17/31/27/398173127.db2.gz BOCDEEKHNATFBW-JKSUJKDBSA-N 3 0 297.487 1.842 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)c2ccccc2CC[NH3+])CC[N@@H+]1C ZINC000157821978 342072574 /nfs/dbraw/zinc/07/25/74/342072574.db2.gz GKWCBXQDRMMGMB-TZMCWYRMSA-N 2 0 275.396 1.400 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+]2C(C)(C)C)C1 ZINC000617007751 342603993 /nfs/dbraw/zinc/60/39/93/342603993.db2.gz ZPUJJPXQBBCKKX-QWHCGFSZSA-N 2 0 267.417 1.317 10 0 CDAERP [NH3+]CCCN1CC[NH+]([C@H]2CCc3ccccc32)CC1 ZINC000039172159 342097685 /nfs/dbraw/zinc/09/76/85/342097685.db2.gz NLBPXMUQWMEGRD-INIZCTEOSA-N 2 0 259.397 1.640 10 0 CDAERP [NH3+]CCN1CC[NH2+]C[C@@H]1c1ccc2cnccc2c1 ZINC000616637195 342121950 /nfs/dbraw/zinc/12/19/50/342121950.db2.gz SHMVATMFGDAVEH-OAHLLOKOSA-N 2 0 256.353 1.140 10 0 CDAERP C[NH+]1CCC2(CN(C(=O)OC(C)(C)C)C[C@@H]2[NH3+])CC1 ZINC000096945886 185136011 /nfs/dbraw/zinc/13/60/11/185136011.db2.gz TVNGJEDAFMQLCR-NSHDSACASA-N 2 0 269.389 1.276 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](C)Oc1ccc(F)cc1 ZINC000422795348 536594357 /nfs/dbraw/zinc/59/43/57/536594357.db2.gz VJKIGYGQDWVIIP-TZMCWYRMSA-N 2 0 284.375 1.937 10 0 CDAERP C[C@H](CSCCF)[NH2+]CCCC[NH+]1CCOCC1 ZINC000595011314 342992515 /nfs/dbraw/zinc/99/25/15/342992515.db2.gz MAYYQKFDRQBKFE-CYBMUJFWSA-N 2 0 278.437 1.780 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CCC1CC[NH+](C)CC1 ZINC000594920078 342986890 /nfs/dbraw/zinc/98/68/90/342986890.db2.gz MUSZBQNWWJNSJI-IACUBPJLSA-N 2 0 268.401 1.506 10 0 CDAERP Cc1cc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)on1 ZINC000631114119 362075252 /nfs/dbraw/zinc/07/52/52/362075252.db2.gz QZKNAMOITSHDFE-UHFFFAOYSA-N 2 0 280.416 1.489 10 0 CDAERP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cnc(C)o2)CC1 ZINC000628213744 362110049 /nfs/dbraw/zinc/11/00/49/362110049.db2.gz WBIMQGLIFALYGJ-CYBMUJFWSA-N 2 0 280.416 1.346 10 0 CDAERP CCOC(=O)CC1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000595890923 343181678 /nfs/dbraw/zinc/18/16/78/343181678.db2.gz GILWIQSQQMSLPQ-CQSZACIVSA-N 2 0 296.411 1.173 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)[C@H]1CC[NH2+]C1 ZINC000629514925 362130292 /nfs/dbraw/zinc/13/02/92/362130292.db2.gz VZKNCBHWRLDWFH-NOLJZWGESA-N 2 0 260.381 1.716 10 0 CDAERP C[NH2+]CCOCC[NH2+]C1CCC(c2nc(C)no2)CC1 ZINC000629530487 362158859 /nfs/dbraw/zinc/15/88/59/362158859.db2.gz IAXOFFYYDWPBIM-UHFFFAOYSA-N 2 0 282.388 1.230 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000629530986 362160197 /nfs/dbraw/zinc/16/01/97/362160197.db2.gz WVGKTCRYMVAORR-CQSZACIVSA-N 2 0 280.416 1.857 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000629531095 362160662 /nfs/dbraw/zinc/16/06/62/362160662.db2.gz ZXDYOQJKNYOXLO-RBSFLKMASA-N 2 0 270.417 1.407 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000354871305 365743721 /nfs/dbraw/zinc/74/37/21/365743721.db2.gz MVUNVYKLRNCFKO-HOTGVXAUSA-N 2 0 295.471 1.907 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC[C@@H](O)C(F)F ZINC000631216704 412505581 /nfs/dbraw/zinc/50/55/81/412505581.db2.gz QYRQCJZAFPUEMC-CYBMUJFWSA-N 2 0 296.321 1.681 10 0 CDAERP C[NH2+][C@H](C)C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000054076064 343709278 /nfs/dbraw/zinc/70/92/78/343709278.db2.gz CIOFVJWKYFEQAU-OUCADQQQSA-N 2 0 255.406 1.221 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000262767491 344702447 /nfs/dbraw/zinc/70/24/47/344702447.db2.gz JNCICQRMUKRTPN-STQMWFEESA-N 2 0 285.457 1.072 10 0 CDAERP CC[NH+](CC)CCNC(=O)CC1([NH3+])CCCCC1 ZINC000084161946 178809930 /nfs/dbraw/zinc/80/99/30/178809930.db2.gz BGWRFBWVCSZVSI-UHFFFAOYSA-N 2 0 255.406 1.496 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)CC1([NH3+])CCCCC1 ZINC000084185646 178819180 /nfs/dbraw/zinc/81/91/80/178819180.db2.gz VLKDFLBMJPPDRW-ZDUSSCGKSA-N 2 0 269.433 1.885 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC000617415120 345514301 /nfs/dbraw/zinc/51/43/01/345514301.db2.gz YCMHMULZRZNKOQ-AWEZNQCLSA-N 2 0 284.363 1.696 10 0 CDAERP C[C@H](C(=O)NCCN(C)CCC[NH+](C)C)c1ccccc1 ZINC000617764708 345960918 /nfs/dbraw/zinc/96/09/18/345960918.db2.gz CRSXWRAMNBOQPV-HNNXBMFYSA-N 2 0 291.439 1.790 10 0 CDAERP COCCN1CCC[C@@H]1C[NH2+]Cc1cccc2n[nH]cc21 ZINC000623398541 346155766 /nfs/dbraw/zinc/15/57/66/346155766.db2.gz INGBDZAIJLWQCD-CQSZACIVSA-N 2 0 288.395 1.763 10 0 CDAERP C[NH+](C)Cc1ccccc1NC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085359257 179031874 /nfs/dbraw/zinc/03/18/74/179031874.db2.gz LMVFZSDBLFZZNP-STQMWFEESA-N 2 0 261.369 1.814 10 0 CDAERP C[NH+](C)Cc1cccc(NC(=O)[C@@H]2CCC[C@H]2[NH3+])c1 ZINC000085361435 179032988 /nfs/dbraw/zinc/03/29/88/179032988.db2.gz RWFMNVLWCSZFRA-ZIAGYGMSSA-N 2 0 261.369 1.814 10 0 CDAERP CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000085369738 179039933 /nfs/dbraw/zinc/03/99/33/179039933.db2.gz KNLRNYWVRKBJRS-KGLIPLIRSA-N 2 0 267.417 1.447 10 0 CDAERP Cc1ccc(CCC[NH2+]C[C@@H]2CCCCN2CCO)cn1 ZINC000449396497 362691416 /nfs/dbraw/zinc/69/14/16/362691416.db2.gz SBCXQFKKYDSJGW-KRWDZBQOSA-N 2 0 291.439 1.759 10 0 CDAERP CCC[N@@H+]1CC[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC000619898633 349952223 /nfs/dbraw/zinc/95/22/23/349952223.db2.gz SLBKRAYIKMLSDK-CQSZACIVSA-N 2 0 290.411 1.508 10 0 CDAERP CC(C)CO[C@@H]1C[C@H]([NH2+]CCN2CC[NH+](C)CC2)C1(C)C ZINC000085400700 179051812 /nfs/dbraw/zinc/05/18/12/179051812.db2.gz DKKIZVPARANHHF-JKSUJKDBSA-N 2 0 297.487 1.663 10 0 CDAERP C[C@@H]([NH2+]CCC(=O)N1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000584774389 346429012 /nfs/dbraw/zinc/42/90/12/346429012.db2.gz PUBMZGKLOFBRDB-ZIAGYGMSSA-N 2 0 267.417 1.367 10 0 CDAERP CC[N@H+](C)CCn1c(CC(C)C)nc2c1CC[NH2+]C2 ZINC000085571000 179095815 /nfs/dbraw/zinc/09/58/15/179095815.db2.gz ILCDEUQAOIBNDO-UHFFFAOYSA-N 2 0 264.417 1.679 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000227696284 346530867 /nfs/dbraw/zinc/53/08/67/346530867.db2.gz YVMYTUZVTPFMPX-GDBMZVCRSA-N 2 0 281.444 1.899 10 0 CDAERP CCC[NH2+][C@@H](CCO)CN1CCC([NH+]2CCCCC2)CC1 ZINC000085921885 179200350 /nfs/dbraw/zinc/20/03/50/179200350.db2.gz HMTYCDKRZYTELK-INIZCTEOSA-N 2 0 297.487 1.687 10 0 CDAERP [NH3+]C1(CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)CCCCCC1 ZINC000612988661 347355774 /nfs/dbraw/zinc/35/57/74/347355774.db2.gz UZQXMXDOOODJNU-CYBMUJFWSA-N 2 0 294.443 1.479 10 0 CDAERP CC[C@@H](C)[C@@H]1CN(CC2CC[NH+](C)CC2)CC[NH2+]1 ZINC000086145634 179237286 /nfs/dbraw/zinc/23/72/86/179237286.db2.gz QIICBZAUJVPVJC-HIFRSBDPSA-N 2 0 253.434 1.648 10 0 CDAERP C[NH+]1CCC(C[N@@H+]2CCN[C@@H](c3ccccc3)C2)CC1 ZINC000086145672 179237997 /nfs/dbraw/zinc/23/79/97/179237997.db2.gz POQYZXPFGOSGON-QGZVFWFLSA-N 2 0 273.424 1.975 10 0 CDAERP CC(C)C[C@H]1CN(C[C@@H]2CCCC[N@@H+]2C)CC[NH2+]1 ZINC000086145849 179238343 /nfs/dbraw/zinc/23/83/43/179238343.db2.gz JAORPRLCKGQVNI-GJZGRUSLSA-N 2 0 253.434 1.791 10 0 CDAERP CC[C@@H]1C[NH2+][C@H](C(C)C)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086171841 179243801 /nfs/dbraw/zinc/24/38/01/179243801.db2.gz CVCDTZRGNBWOBC-KFWWJZLASA-N 2 0 253.434 1.647 10 0 CDAERP CCC[NH+]1CCC(N2C[C@@H](C)[NH2+]C[C@@H]2CC)CC1 ZINC000086173172 179244424 /nfs/dbraw/zinc/24/44/24/179244424.db2.gz BVVNNIRTZYEYFD-KGLIPLIRSA-N 2 0 253.434 1.933 10 0 CDAERP CC(C)[C@@H]1C[NH2+][C@@H](C)CN1C[C@@H]1CCC[N@H+](C)C1 ZINC000086173732 179244841 /nfs/dbraw/zinc/24/48/41/179244841.db2.gz VVCDGHVXCLTYFB-ZNMIVQPWSA-N 2 0 253.434 1.647 10 0 CDAERP C[N@@H+]1CCC[C@@H](CN2CC[NH2+]C3(CCCCC3)C2)C1 ZINC000086145763 179238984 /nfs/dbraw/zinc/23/89/84/179238984.db2.gz VKILCDUGAGYEGE-OAHLLOKOSA-N 2 0 265.445 1.936 10 0 CDAERP CC[C@@H]1C[NH2+][C@](C)(CC)CN1C1CC[NH+](C)CC1 ZINC000086217833 179249548 /nfs/dbraw/zinc/24/95/48/179249548.db2.gz XYLCEFMAZSHQKR-UKRRQHHQSA-N 2 0 253.434 1.933 10 0 CDAERP CC[NH+]1CCC(C[N@@H+]2C[C@H](C3CC3)NC[C@@H]2C)CC1 ZINC000086259183 179258235 /nfs/dbraw/zinc/25/82/35/179258235.db2.gz XEYVTPMZDFBUAP-XJKSGUPXSA-N 2 0 265.445 1.791 10 0 CDAERP CC(C)C[C@H]1CN([C@@H]2CC[N@@H+](C3CC3)C2)[C@@H](C)C[NH2+]1 ZINC000086259638 179258970 /nfs/dbraw/zinc/25/89/70/179258970.db2.gz PGFYCLRAFNYXCF-OFQRWUPVSA-N 2 0 265.445 1.932 10 0 CDAERP CCCN1C[C@@H](C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1=O ZINC000623552508 347628868 /nfs/dbraw/zinc/62/88/68/347628868.db2.gz ILMWBGCCNNLIHT-KGLIPLIRSA-N 2 0 281.444 1.707 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000614964562 348288176 /nfs/dbraw/zinc/28/81/76/348288176.db2.gz REXHDNQCACMBJZ-OAHLLOKOSA-N 2 0 293.455 1.805 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000064508602 348942537 /nfs/dbraw/zinc/94/25/37/348942537.db2.gz JCVLZDUEIMXDGE-OAHLLOKOSA-N 2 0 293.455 1.994 10 0 CDAERP CC[N@@H+]1CCN([C@@H](C[NH3+])c2ccccc2F)C[C@@H]1C ZINC000104434877 186001775 /nfs/dbraw/zinc/00/17/75/186001775.db2.gz JNGXTMWFNDFRQJ-WFASDCNBSA-N 2 0 265.376 1.852 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000569739822 363020921 /nfs/dbraw/zinc/02/09/21/363020921.db2.gz JVUOYUXSDMNGAH-KFWWJZLASA-N 2 0 279.428 1.271 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CN[C@H]1CC[NH+](C)[C@@H]2CCC[C@H]21 ZINC000624101739 351420038 /nfs/dbraw/zinc/42/00/38/351420038.db2.gz ZDYXUSTXOZYHOG-CBBWQLFWSA-N 2 0 251.418 1.543 10 0 CDAERP Cc1ccc(O)c(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)n1 ZINC000569846433 363138696 /nfs/dbraw/zinc/13/86/96/363138696.db2.gz STTIPVARVFEBTD-OAHLLOKOSA-N 2 0 261.369 1.671 10 0 CDAERP CC[C@@H](C(=O)NCc1ccc([C@@H](C)[NH3+])cc1)[NH+](C)C ZINC000629612091 363203279 /nfs/dbraw/zinc/20/32/79/363203279.db2.gz RZCCWFBWLXOAJJ-RISCZKNCSA-N 2 0 263.385 1.663 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1cc(OC)cc(C)n1 ZINC000629653704 363254426 /nfs/dbraw/zinc/25/44/26/363254426.db2.gz MGGPEXMHBOLEHG-UHFFFAOYSA-N 2 0 267.373 1.066 10 0 CDAERP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC(=O)NC2(C)C)C1 ZINC000644535672 366153560 /nfs/dbraw/zinc/15/35/60/366153560.db2.gz XVMCEZMWRLXXNH-CHWSQXEVSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)[C@H]1C ZINC000644537277 366155830 /nfs/dbraw/zinc/15/58/30/366155830.db2.gz YMRKPOAHXFTXSQ-HOSILWTGSA-N 2 0 265.445 1.789 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC[NH2+]1 ZINC000262341375 291042262 /nfs/dbraw/zinc/04/22/62/291042262.db2.gz GGIRGZJDXCMMAY-XQLPTFJDSA-N 2 0 279.428 1.317 10 0 CDAERP C[N@@H+]1CC[C@@]2(CCN(C(=O)CC[C@H]3CCCC[NH+]3C)C2)C1 ZINC000334634364 283102354 /nfs/dbraw/zinc/10/23/54/283102354.db2.gz MOCIRKCUUUZIJO-NVXWUHKLSA-N 2 0 293.455 1.805 10 0 CDAERP NC(=[NH2+])c1cccc(NC(=O)Nc2cccc(C(N)=[NH2+])c2)c1 ZINC000000031235 355880547 /nfs/dbraw/zinc/88/05/47/355880547.db2.gz KRUVSRGJKCHYMY-UHFFFAOYSA-N 2 0 296.334 1.899 10 0 in-man CDAERP CO[C@@H](C)C[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C(C)C ZINC000659945818 412627448 /nfs/dbraw/zinc/62/74/48/412627448.db2.gz CRONNFHWXUKCRJ-KBPBESRZSA-N 2 0 260.422 1.433 10 0 CDAERP C[NH+]1CCC(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000085637165 357219452 /nfs/dbraw/zinc/21/94/52/357219452.db2.gz KTUUYUUEQNTARK-IHRRRGAJSA-N 2 0 252.402 1.731 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@@H]1C[C@@H]3CCCC[C@@H]3[NH2+]1)C2 ZINC000634750345 358235685 /nfs/dbraw/zinc/23/56/85/358235685.db2.gz UWVNKKZOJOUPAC-CUINURIISA-N 2 0 291.439 1.365 10 0 CDAERP CC1(C)C[NH2+]CC[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000634752117 358258071 /nfs/dbraw/zinc/25/80/71/358258071.db2.gz FKVUCFIIZOTFGN-XQLPTFJDSA-N 2 0 293.455 1.802 10 0 CDAERP C[C@@H](CNC(=O)c1ccccc1CC[NH3+])C[NH+]1CCCC1 ZINC000070553019 358969735 /nfs/dbraw/zinc/96/97/35/358969735.db2.gz IWJBZGXDMDGWJF-AWEZNQCLSA-N 2 0 289.423 1.650 10 0 CDAERP CCOC(=O)[C@@H]1CCC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261871898 359072436 /nfs/dbraw/zinc/07/24/36/359072436.db2.gz OZSKXKZHWQMHNW-TZMCWYRMSA-N 2 0 254.374 1.261 10 0 CDAERP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC2=[NH+]CCCN2)C1 ZINC000261886264 359077333 /nfs/dbraw/zinc/07/73/33/359077333.db2.gz RZQFKFKWEPRMOL-STQMWFEESA-N 2 0 266.433 1.682 10 0 CDAERP C[C@@]1(CN2CCC[C@H]([NH+]3CCCC3)CC2)CC[NH2+]C1 ZINC000261944112 359099157 /nfs/dbraw/zinc/09/91/57/359099157.db2.gz FAYINWSNNOBRSX-JKSUJKDBSA-N 2 0 265.445 1.936 10 0 CDAERP C[C@@H](C(=O)N1CCC[N@@H+](C2CCCC2)CC1)C1C[NH2+]C1 ZINC000262337565 359162073 /nfs/dbraw/zinc/16/20/73/359162073.db2.gz HNFDKKTWYLKBBW-CYBMUJFWSA-N 2 0 279.428 1.319 10 0 CDAERP CCc1ccc(C[NH+]2CCN(CC[NH3+])CC2)s1 ZINC000263042996 359218405 /nfs/dbraw/zinc/21/84/05/359218405.db2.gz SZXDUGCCTDILRH-UHFFFAOYSA-N 2 0 253.415 1.387 10 0 CDAERP CC1(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CCC1 ZINC000422924462 359678609 /nfs/dbraw/zinc/67/86/09/359678609.db2.gz YLRFPLZYPQGFGN-BFHYXJOUSA-N 2 0 252.402 1.923 10 0 CDAERP CCC[C@@H](C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)[NH+](C)C ZINC000161963435 283469778 /nfs/dbraw/zinc/46/97/78/283469778.db2.gz WMNQFANLBSWODB-KGLIPLIRSA-N 2 0 267.417 1.413 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CC1Cc2ccccc2C1 ZINC000422983644 359697780 /nfs/dbraw/zinc/69/77/80/359697780.db2.gz UKXGLIDFRNFICW-MRXNPFEDSA-N 2 0 262.397 1.745 10 0 CDAERP CC(C)[C@@H](O)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000336828550 359903720 /nfs/dbraw/zinc/90/37/20/359903720.db2.gz AJPJFJKZKMWXSM-HOTGVXAUSA-N 2 0 283.460 1.105 10 0 CDAERP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)CC2(O)CCC2)C1 ZINC000528399446 359931469 /nfs/dbraw/zinc/93/14/69/359931469.db2.gz YGQRNVLADPHWII-JKSUJKDBSA-N 2 0 296.455 1.316 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC000356904598 366623895 /nfs/dbraw/zinc/62/38/95/366623895.db2.gz QRFGDDNUFKJLRW-HZSPNIEDSA-N 2 0 267.417 1.412 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NCCC[NH+](CC2CC2)C2CC2)C1 ZINC001660753337 1172269774 /nfs/dbraw/zinc/26/97/74/1172269774.db2.gz QPXOQKVXKKZATA-AWEZNQCLSA-N 2 0 279.428 1.319 10 0 CDAERP C[C@@H](C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)CS(C)(=O)=O ZINC000424288114 359992673 /nfs/dbraw/zinc/99/26/73/359992673.db2.gz KGJSICGSEXOZSQ-QWHCGFSZSA-N 2 0 288.457 1.131 10 0 CDAERP CCC[NH+]1CCC([NH2+]C[C@@H]2CCN(C)C(=O)C2)CC1 ZINC000424329624 360009229 /nfs/dbraw/zinc/00/92/29/360009229.db2.gz QSOJMFDFNOIUHW-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP O=C(CCC1CC[NH2+]CC1)N1CC[NH+]2CCC1CC2 ZINC000335465518 360217559 /nfs/dbraw/zinc/21/75/59/360217559.db2.gz URIQMWJAAHDONY-UHFFFAOYSA-N 2 0 265.401 1.073 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000626934392 360654052 /nfs/dbraw/zinc/65/40/52/360654052.db2.gz YGNGLVRTHOEWTO-UPJWGTAASA-N 2 0 270.421 1.156 10 0 CDAERP C([C@@H]1CCCN1CC12CC(C1)C[NH2+]2)[NH+]1CCCCC1 ZINC000634992442 360619498 /nfs/dbraw/zinc/61/94/98/360619498.db2.gz OWYMVKHSUWOLRC-PCKAHOCUSA-N 2 0 263.429 1.689 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000626947502 360686988 /nfs/dbraw/zinc/68/69/88/360686988.db2.gz ULHGSUCNAAUARK-MJBXVCDLSA-N 2 0 282.432 1.158 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)C[N@@H+]1C1CC1 ZINC000417859521 360784972 /nfs/dbraw/zinc/78/49/72/360784972.db2.gz RZMBKVYDLNGUIE-GUIRCDHDSA-N 2 0 292.427 1.005 10 0 CDAERP C[C@H]1C[N@H+](C)C[C@@H]1NC1CC[NH+](C2CCC2)CC1 ZINC000335780027 360929301 /nfs/dbraw/zinc/92/93/01/360929301.db2.gz BIKFTIXHRFALAZ-WFASDCNBSA-N 2 0 251.418 1.543 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)[C@H]2CCC[C@H]21 ZINC000643535744 361211510 /nfs/dbraw/zinc/21/15/10/361211510.db2.gz IJPJAVYIWSQJTQ-LXTVHRRPSA-N 2 0 263.429 1.591 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000643539779 361256509 /nfs/dbraw/zinc/25/65/09/361256509.db2.gz IEJANRFPWBBBBW-VWYCJHECSA-N 2 0 260.345 1.049 10 0 CDAERP O=C1CN(Cc2ccc3c(c2)C[NH2+]CC3)[C@H]2CCCC[C@@H]2N1 ZINC000566351126 370690923 /nfs/dbraw/zinc/69/09/23/370690923.db2.gz MAKGYHPKZBBJJM-IRXDYDNUSA-N 2 0 299.418 1.575 10 0 CDAERP C[C@H]([NH2+][C@@H]1CCC[C@H](CO)C1)C1CC[NH+](C)CC1 ZINC000380726250 482870755 /nfs/dbraw/zinc/87/07/55/482870755.db2.gz IBNPEDLLOKZPFP-KCQAQPDRSA-N 2 0 254.418 1.857 10 0 CDAERP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000644144997 364000486 /nfs/dbraw/zinc/00/04/86/364000486.db2.gz UMPZEHWVKIOLDI-MCIONIFRSA-N 2 0 279.428 1.542 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NC(C)(C)C[NH+](C)C ZINC000458349615 364155248 /nfs/dbraw/zinc/15/52/48/364155248.db2.gz XKADMRYXONJCOG-ZIAGYGMSSA-N 2 0 298.475 1.889 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCN1CCCN(c2cccnn2)CC1 ZINC000163121942 364690598 /nfs/dbraw/zinc/69/05/98/364690598.db2.gz JLEINOAFQRLFGZ-HNNXBMFYSA-N 2 0 289.427 1.473 10 0 CDAERP O[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000305103665 365251964 /nfs/dbraw/zinc/25/19/64/365251964.db2.gz CDKKXFWGTHTPBW-LSDHHAIUSA-N 2 0 252.402 1.754 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)c1c[nH+]ccc1N(C)C ZINC000353493657 365253005 /nfs/dbraw/zinc/25/30/05/365253005.db2.gz XLBCJXBRCOKYKM-UHFFFAOYSA-N 2 0 278.400 1.561 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCC2CC(O)C2)[C@H]2CCC[C@H]21 ZINC000353606231 365329056 /nfs/dbraw/zinc/32/90/56/365329056.db2.gz MVHCWZDFBOZGGF-IPOFZDNWSA-N 2 0 252.402 1.610 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCC(C)(C)C[NH+](C)C)CC[N@@H+]1C ZINC000357356225 366939948 /nfs/dbraw/zinc/93/99/48/366939948.db2.gz PGALGWZRPQLIAM-STQMWFEESA-N 2 0 269.433 1.421 10 0 CDAERP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@@H]1C[C@H]1C ZINC000414112780 241073732 /nfs/dbraw/zinc/07/37/32/241073732.db2.gz NFJKQTVKTJHRCZ-VNHYZAJKSA-N 2 0 253.434 1.647 10 0 CDAERP C[C@H]([NH2+]CCn1cc(Br)cn1)[C@H]1CC[NH2+]C1 ZINC000400361155 366951499 /nfs/dbraw/zinc/95/14/99/366951499.db2.gz NQQNORGICVHQLG-UWVGGRQHSA-N 2 0 287.205 1.233 10 0 CDAERP CCC[NH+]1CCC(C[NH2+]Cc2cc(C)n(C)n2)CC1 ZINC000414327715 241155534 /nfs/dbraw/zinc/15/55/34/241155534.db2.gz MWLKGKWGSYKSMD-UHFFFAOYSA-N 2 0 264.417 1.940 10 0 CDAERP CC[NH+](CC)CCO[C@@H]1CCN(C[C@H]([NH3+])CC(C)C)C1 ZINC000414744573 241362316 /nfs/dbraw/zinc/36/23/16/241362316.db2.gz OMJNTADZCVCGDO-HZPDHXFCSA-N 2 0 285.476 1.793 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000626970224 367107652 /nfs/dbraw/zinc/10/76/52/367107652.db2.gz LESNSBCRDHNPIE-QLFBSQMISA-N 2 0 296.459 1.547 10 0 CDAERP CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000626998433 367219160 /nfs/dbraw/zinc/21/91/60/367219160.db2.gz MYNHNDBZLWDQKQ-MELADBBJSA-N 2 0 282.432 1.301 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000627024402 367248031 /nfs/dbraw/zinc/24/80/31/367248031.db2.gz NNTVZHOIYSVSIU-PFSRBDOWSA-N 2 0 294.443 1.443 10 0 CDAERP C[C@H](C[NH2+][C@H]1CN(C)C[C@H]1C)N1CCc2ccccc21 ZINC000358009174 367365857 /nfs/dbraw/zinc/36/58/57/367365857.db2.gz CKGCBNZFOIUMJB-FMKPAKJESA-N 2 0 273.424 1.977 10 0 CDAERP CC1=CC[NH+](CCN[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000358216702 367517890 /nfs/dbraw/zinc/51/78/90/367517890.db2.gz ADXLYJMZEUGCRR-LSDHHAIUSA-N 2 0 251.418 1.711 10 0 CDAERP CC(C)[NH+](CCNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C)C(C)C ZINC000416804410 242149150 /nfs/dbraw/zinc/14/91/50/242149150.db2.gz JYBGRFNKRKMAJE-ZIAGYGMSSA-N 2 0 284.448 1.402 10 0 CDAERP CC[NH2+][C@H](C)CNC(=O)NC[C@@H](C)[NH+](CC)CC ZINC000417003346 242260404 /nfs/dbraw/zinc/26/04/04/242260404.db2.gz HGGATORDMPAQMV-VXGBXAGGSA-N 2 0 258.410 1.014 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)[C@@H]2[NH2+]CCCC2(C)C)CC[N@@H+]1C ZINC000235437595 367638948 /nfs/dbraw/zinc/63/89/48/367638948.db2.gz HLHOZNFZUPFLNU-UPJWGTAASA-N 2 0 267.417 1.364 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000417027041 242277449 /nfs/dbraw/zinc/27/74/49/242277449.db2.gz ZLVIWOMMDXAREW-OBJOEFQTSA-N 2 0 284.448 1.532 10 0 CDAERP CC[C@H]([NH3+])CNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000417203773 242356182 /nfs/dbraw/zinc/35/61/82/242356182.db2.gz ZFOIGVFMNRHGRE-GJZGRUSLSA-N 2 0 292.427 1.196 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000417069527 242300145 /nfs/dbraw/zinc/30/01/45/242300145.db2.gz OOEOSFRQTCOEPV-RYUDHWBXSA-N 2 0 278.400 1.283 10 0 CDAERP C[C@@H]1CC[C@@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C[NH2+]1 ZINC000627196273 367682391 /nfs/dbraw/zinc/68/23/91/367682391.db2.gz RMIAYTCWAGSVMF-KFWWJZLASA-N 2 0 294.443 1.397 10 0 CDAERP C[C@@H]1[C@H]([NH2+]CCN2CC[NH2+]CC2)C[C@@H]1c1ccccc1 ZINC000414859171 367743994 /nfs/dbraw/zinc/74/39/94/367743994.db2.gz AOXYTPUKNQZXOR-BHYGNILZSA-N 2 0 273.424 1.673 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000627237608 367799822 /nfs/dbraw/zinc/79/98/22/367799822.db2.gz GZPRJZNPYSVSBB-GXTWGEPZSA-N 2 0 282.432 1.110 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)CC2(O)CCC2)[C@H](C)C1 ZINC000528417394 367834529 /nfs/dbraw/zinc/83/45/29/367834529.db2.gz SAGHCZGTRUCWFI-ILXRZTDVSA-N 2 0 284.444 1.315 10 0 CDAERP C[N@H+](CCCNC(=O)C1=CC[C@@H]([NH3+])C1)C1CCCCC1 ZINC000638069556 368005613 /nfs/dbraw/zinc/00/56/13/368005613.db2.gz LBNLVOTVMXZOEZ-CQSZACIVSA-N 2 0 279.428 1.805 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)NCC1([NH3+])CCCCCC1 ZINC000418281506 242889278 /nfs/dbraw/zinc/88/92/78/242889278.db2.gz DTEYKPUJQONOEG-MNOVXSKESA-N 2 0 256.394 1.073 10 0 CDAERP C[C@H](NC(=O)NCC1([NH3+])CCCCCC1)[C@H]1CCC[NH2+]C1 ZINC000418281706 242889626 /nfs/dbraw/zinc/88/96/26/242889626.db2.gz FEXRJWBNUUCCOR-KBPBESRZSA-N 2 0 296.459 1.725 10 0 CDAERP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCCC[NH3+])C2)CC1 ZINC000418311554 242927589 /nfs/dbraw/zinc/92/75/89/242927589.db2.gz MGFSNXAJCQGIAU-HNNXBMFYSA-N 2 0 296.459 1.489 10 0 CDAERP CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+](C)C ZINC001661276146 1172362650 /nfs/dbraw/zinc/36/26/50/1172362650.db2.gz UIOHALOPPVSITM-OKILXGFUSA-N 2 0 267.417 1.413 10 0 CDAERP C[C@@H]([NH3+])[C@H](C)NC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000418463232 243108374 /nfs/dbraw/zinc/10/83/74/243108374.db2.gz OAXRNJPFSJURFS-VWYCJHECSA-N 2 0 264.373 1.241 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@H](C)C[NH3+])cc1 ZINC000418471232 243118501 /nfs/dbraw/zinc/11/85/01/243118501.db2.gz VNUXAKLDTVPLEB-GHMZBOCLSA-N 2 0 264.373 1.100 10 0 CDAERP CC[C@@H](C(=O)N(C)CCC[NH+](C)C)[NH+](CC)CC ZINC000539416740 368433355 /nfs/dbraw/zinc/43/33/55/368433355.db2.gz RZODHGFJXAVEBK-ZDUSSCGKSA-N 2 0 257.422 1.517 10 0 CDAERP [NH3+][C@@H](CNC(=O)N1CCC(C[NH+]2CCCC2)CC1)C1CC1 ZINC000418498926 243146422 /nfs/dbraw/zinc/14/64/22/243146422.db2.gz NCQMHGATKURWFR-HNNXBMFYSA-N 2 0 294.443 1.241 10 0 CDAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000418584170 243239796 /nfs/dbraw/zinc/23/97/96/243239796.db2.gz BWTOFVKHEJCJBU-DZGCQCFKSA-N 2 0 290.411 1.155 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000418586680 243243023 /nfs/dbraw/zinc/24/30/23/243243023.db2.gz ZXOIGNXUVDPSFG-OLZOCXBDSA-N 2 0 282.432 1.110 10 0 CDAERP CCCN(CC[NH+](CC)CC)C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000418703177 243355618 /nfs/dbraw/zinc/35/56/18/243355618.db2.gz HIXBHJXTHCGYBJ-OLZOCXBDSA-N 2 0 272.437 1.486 10 0 CDAERP C[NH2+][C@H]1CCCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000567233625 370925500 /nfs/dbraw/zinc/92/55/00/370925500.db2.gz ZUDIUCWIWQHJSM-UONOGXRCSA-N 2 0 267.417 1.461 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)CCN(C)c1cc[nH+]cc1 ZINC000542783992 368820095 /nfs/dbraw/zinc/82/00/95/368820095.db2.gz QWKDLZPZZMFMRB-UHFFFAOYSA-N 2 0 278.400 1.318 10 0 CDAERP CC[C@@H]1CN(CC[C@H]2CCC[N@@H+]2C)C[C@@]2(CCOC2)O1 ZINC000361507345 368859064 /nfs/dbraw/zinc/85/90/64/368859064.db2.gz DPQXTONTZWXDCZ-BZUAXINKSA-N 2 0 282.428 1.741 10 0 CDAERP [NH3+]CC1(CCNC(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000652121261 412779013 /nfs/dbraw/zinc/77/90/13/412779013.db2.gz CFTPNPRYIKJDEQ-UHFFFAOYSA-N 2 0 282.432 1.291 10 0 CDAERP COC(=O)COc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000414950677 370982898 /nfs/dbraw/zinc/98/28/98/370982898.db2.gz GGYFFUJHINIYEV-IUODEOHRSA-N 2 0 292.379 1.326 10 0 CDAERP C[C@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)[NH+]1CCC(C)CC1 ZINC000170834763 369698180 /nfs/dbraw/zinc/69/81/80/369698180.db2.gz LVDUMPIQALAIOD-CABCVRRESA-N 2 0 296.459 1.452 10 0 CDAERP O[C@H](C[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)C[NH+]1CCCCC1 ZINC000638413201 369880201 /nfs/dbraw/zinc/88/02/01/369880201.db2.gz XXAIMQNIMZGBRU-LXTVHRRPSA-N 2 0 252.402 1.469 10 0 CDAERP COC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCOCC1 ZINC000370478105 370065639 /nfs/dbraw/zinc/06/56/39/370065639.db2.gz SCSLZYHSERSEED-JYJNAYRXSA-N 2 0 282.428 1.644 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NCc2ccccc2C[NH+](C)C)C1 ZINC000564746900 370251316 /nfs/dbraw/zinc/25/13/16/370251316.db2.gz WLVCHLBKGXDVID-CQSZACIVSA-N 2 0 289.423 1.706 10 0 CDAERP COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414759821 284206934 /nfs/dbraw/zinc/20/69/34/284206934.db2.gz XIQWPDHKSUMGRP-RYPNDVFKSA-N 2 0 280.412 1.648 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000418195797 370285657 /nfs/dbraw/zinc/28/56/57/370285657.db2.gz GNRRWGHMVUBLSA-MJBXVCDLSA-N 2 0 284.448 1.404 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000418196847 370287614 /nfs/dbraw/zinc/28/76/14/370287614.db2.gz IKEXEOOTBKWAKR-ILXRZTDVSA-N 2 0 296.459 1.500 10 0 CDAERP CN(CC[NH+](C)C)C(=O)NCC1([NH3+])CCCCCC1 ZINC000418281955 370447250 /nfs/dbraw/zinc/44/72/50/370447250.db2.gz FZVKZKBGJUANOW-UHFFFAOYSA-N 2 0 270.421 1.241 10 0 CDAERP CN(C(=O)CCCC[NH+](C)C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000565864326 370551636 /nfs/dbraw/zinc/55/16/36/370551636.db2.gz NACSQGSXSASXLA-CQSZACIVSA-N 2 0 267.417 1.413 10 0 CDAERP C[NH+](C)Cc1cc(CNC(=O)[C@@]2(F)CC[NH2+]C2)ccc1F ZINC000376200363 371138019 /nfs/dbraw/zinc/13/80/19/371138019.db2.gz UKDNSFFALJQLKV-OAHLLOKOSA-N 2 0 297.349 1.205 10 0 CDAERP C(CN[C@H](C1CC1)[C@H]1C[NH2+]CCO1)C[NH+]1CCCCC1 ZINC000422793919 245264704 /nfs/dbraw/zinc/26/47/04/245264704.db2.gz XRHUZWXCHBTNQM-HZPDHXFCSA-N 2 0 281.444 1.219 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000422882003 245366944 /nfs/dbraw/zinc/36/69/44/245366944.db2.gz OQHSMKMUBLGVFE-HNNXBMFYSA-N 2 0 288.395 1.716 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652143251 412790816 /nfs/dbraw/zinc/79/08/16/412790816.db2.gz UDHUFFUZBPHWCA-UHFFFAOYSA-N 2 0 296.459 1.537 10 0 CDAERP C[C@@H](C(=O)N1CCC[N@@H+](C2CC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000171285885 372156352 /nfs/dbraw/zinc/15/63/52/372156352.db2.gz CZHPXKIZDKRLDC-KFWWJZLASA-N 2 0 293.455 1.944 10 0 CDAERP CC[N@@H+]1CC[C@H](N[C@H]2C[NH2+]CCC2(F)F)[C@H](C)C1 ZINC000415009490 372480145 /nfs/dbraw/zinc/48/01/45/372480145.db2.gz XJIZPESRWGXRMJ-WOPDTQHZSA-N 2 0 261.360 1.304 10 0 CDAERP CC[NH2+]Cc1ccccc1NC(=O)[C@H]([NH3+])CCC(=O)OC ZINC000578651880 372532838 /nfs/dbraw/zinc/53/28/38/372532838.db2.gz NPIXTEZEWOABIS-GFCCVEGCSA-N 2 0 293.367 1.015 10 0 CDAERP COCCOCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000175636216 372683900 /nfs/dbraw/zinc/68/39/00/372683900.db2.gz MZTLNVVYILIIBD-UHFFFAOYSA-N 2 0 270.417 1.457 10 0 CDAERP OC[C@H](O)C[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000580951566 372758777 /nfs/dbraw/zinc/75/87/77/372758777.db2.gz CYHRYILGXFCUBO-JKSUJKDBSA-N 2 0 290.407 1.126 10 0 CDAERP COC(=O)[C@@]1(C)CCCN(C[C@H]([NH3+])CC(C)C)C1 ZINC000415141448 372858050 /nfs/dbraw/zinc/85/80/50/372858050.db2.gz PHVRZZSAYDHPLK-OCCSQVGLSA-N 2 0 256.390 1.635 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccccc1CC[NH3+] ZINC000220112442 373874335 /nfs/dbraw/zinc/87/43/35/373874335.db2.gz SVASAFILPPAZPZ-CYBMUJFWSA-N 2 0 277.412 1.648 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000342468322 374224698 /nfs/dbraw/zinc/22/46/98/374224698.db2.gz SKNZKGWYNRBXBM-NWANDNLSSA-N 2 0 279.428 1.460 10 0 CDAERP C[C@H]1CN(Cc2ccc(-n3ccnc3)cc2)CC(=O)N1C ZINC000334380396 375141855 /nfs/dbraw/zinc/14/18/55/375141855.db2.gz IQBBCJISRZZTLJ-ZDUSSCGKSA-N 2 0 284.363 1.535 10 0 CDAERP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000425238591 375509530 /nfs/dbraw/zinc/50/95/30/375509530.db2.gz MRWUXDCGNALXHV-LZWOXQAQSA-N 2 0 295.471 1.905 10 0 CDAERP CCC[N@@H+]1CC[C@H](CNC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)C1 ZINC000417242021 375740162 /nfs/dbraw/zinc/74/01/62/375740162.db2.gz SQCMWRZFCHFREB-UKRRQHHQSA-N 2 0 294.443 1.254 10 0 CDAERP CCOCC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001662098962 1172482678 /nfs/dbraw/zinc/48/26/78/1172482678.db2.gz DVBYASRCBZDAIX-YMAMQOFZSA-N 2 0 297.443 1.134 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CC[N@@H+]1C ZINC000631306027 376085508 /nfs/dbraw/zinc/08/55/08/376085508.db2.gz GYBOXYBCEKZEDO-UONOGXRCSA-N 2 0 299.378 1.358 10 0 CDAERP O=C(c1ccc2c[nH+]cn2c1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000335066448 296241516 /nfs/dbraw/zinc/24/15/16/296241516.db2.gz AXUGBFCGOCCJSW-CZUORRHYSA-N 2 0 298.390 1.939 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]C[C@H](CO)c2ccccc2)CC[N@@H+]1C ZINC000246966622 377023907 /nfs/dbraw/zinc/02/39/07/377023907.db2.gz IDUILYLHJRZULI-BMFZPTHFSA-N 2 0 262.397 1.835 10 0 CDAERP C[C@H](CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)[NH+](C)C1CC1 ZINC000247313947 377089770 /nfs/dbraw/zinc/08/97/70/377089770.db2.gz OFZJFIUFRBMPNN-NFAWXSAZSA-N 2 0 294.443 1.347 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247504489 377137878 /nfs/dbraw/zinc/13/78/78/377137878.db2.gz OIDNCGGWYRHLTC-KGLIPLIRSA-N 2 0 282.432 1.206 10 0 CDAERP CC[NH+](CC)CCCN1CC[N@H+](CCOC)[C@@H](C)C1 ZINC000249025627 377381880 /nfs/dbraw/zinc/38/18/80/377381880.db2.gz KWCMYWHWTHGDAK-HNNXBMFYSA-N 2 0 271.449 1.371 10 0 CDAERP CC[N@@H+]1CC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000249372292 377426497 /nfs/dbraw/zinc/42/64/97/377426497.db2.gz DQGLIFNCPJPOTA-AVOUXACISA-N 2 0 251.418 1.543 10 0 CDAERP CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000131979872 377702818 /nfs/dbraw/zinc/70/28/18/377702818.db2.gz HBFSGDIWPCHHTG-PMPSAXMXSA-N 2 0 293.455 1.755 10 0 CDAERP Cn1cncc1CCC[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000572056293 377673945 /nfs/dbraw/zinc/67/39/45/377673945.db2.gz RIFSBNFMSYEYRX-HNNXBMFYSA-N 2 0 279.384 1.234 10 0 CDAERP CC(C)[NH2+]C1(CO)CC[NH+](C[C@H]2CCO[C@@H](C)C2)CC1 ZINC000572300702 377862246 /nfs/dbraw/zinc/86/22/46/377862246.db2.gz JHOGVTWSRNKGGF-GJZGRUSLSA-N 2 0 284.444 1.626 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)CC[N@@H+]1C ZINC000633065366 378093543 /nfs/dbraw/zinc/09/35/43/378093543.db2.gz HOPFACVFSDNBAD-QKPAOTATSA-N 2 0 293.455 1.802 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)CC[N@@H+]1C ZINC000633065364 378093718 /nfs/dbraw/zinc/09/37/18/378093718.db2.gz HOPFACVFSDNBAD-CAOSSQGBSA-N 2 0 293.455 1.802 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC[C@H]2CCC[NH+](C)C2)CC[N@@H+]1C ZINC000633416538 378419234 /nfs/dbraw/zinc/41/92/34/378419234.db2.gz KCQNEEJJGRYGNZ-QLFBSQMISA-N 2 0 281.444 1.565 10 0 CDAERP C[NH+](C)CCC[C@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000662326818 412896553 /nfs/dbraw/zinc/89/65/53/412896553.db2.gz CUWGCMJGBSOIRN-HOTGVXAUSA-N 3 0 283.460 1.419 10 0 CDAERP C[NH+](C)CCC[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)CCO1 ZINC000662326543 412897441 /nfs/dbraw/zinc/89/74/41/412897441.db2.gz VRJZJLFNYLFPTC-HZPDHXFCSA-N 2 0 284.444 1.846 10 0 CDAERP C[C@@H](C(=O)NCCCC[NH+](C)C)[NH+]1[C@H](C)CC[C@H]1C ZINC000444040814 250075237 /nfs/dbraw/zinc/07/52/37/250075237.db2.gz UBVIUNLICJISRE-MCIONIFRSA-N 2 0 269.433 1.706 10 0 CDAERP O=C(CC[N@@H+]1CC2CC1(c1ccccc1)C2)N1CC[NH2+]CC1 ZINC000662328839 412900365 /nfs/dbraw/zinc/90/03/65/412900365.db2.gz VQCVUQNGBASKPF-UHFFFAOYSA-N 2 0 299.418 1.429 10 0 CDAERP C[C@H]1C[C@H](N(C)C(=O)NCC2([NH+](C)C)CCC2)CC[N@@H+]1C ZINC000446621883 250304278 /nfs/dbraw/zinc/30/42/78/250304278.db2.gz DCSZKBKTEMMGAX-UONOGXRCSA-N 2 0 296.459 1.595 10 0 CDAERP CC(C)C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657593926 412923277 /nfs/dbraw/zinc/92/32/77/412923277.db2.gz DAPACCGGZHEASB-INIZCTEOSA-N 2 0 262.397 1.999 10 0 CDAERP COCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001662644299 1172573650 /nfs/dbraw/zinc/57/36/50/1172573650.db2.gz ATXFJABCXYCVPM-GJZGRUSLSA-N 2 0 299.459 1.047 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000662377015 412941633 /nfs/dbraw/zinc/94/16/33/412941633.db2.gz YSCMIFLNGXCHNW-AWEZNQCLSA-N 2 0 279.384 1.439 10 0 CDAERP C[N@H+](CCCCNC(=O)N[C@H](C[NH3+])C(F)(F)F)C1CC1 ZINC000655932188 412947331 /nfs/dbraw/zinc/94/73/31/412947331.db2.gz TVNAQOFTXOZXKE-SNVBAGLBSA-N 2 0 296.337 1.050 10 0 CDAERP CCCC[C@H](C[NH3+])NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655963682 412970969 /nfs/dbraw/zinc/97/09/69/412970969.db2.gz QHSFRUAKXQMLPV-UPJWGTAASA-N 2 0 270.421 1.143 10 0 CDAERP COCC[N@@H+]1CCN(CC[NH+]2CCCCC2)C[C@@H]1C ZINC000132284360 285048938 /nfs/dbraw/zinc/04/89/38/285048938.db2.gz LCFCXVVQGVSKSN-HNNXBMFYSA-N 2 0 269.433 1.125 10 0 CDAERP CO[C@@H](C[NH+]1CCC2(CCC[N@@H+]2C)CC1)[C@@H]1CCOC1 ZINC000660166703 412973222 /nfs/dbraw/zinc/97/32/22/412973222.db2.gz DHTXIRZBAFIWRE-CABCVRRESA-N 2 0 282.428 1.598 10 0 CDAERP CC(C)[NH2+]CCCOC[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000080747358 177701564 /nfs/dbraw/zinc/70/15/64/177701564.db2.gz HSOGUVPCJFDUOV-AWEZNQCLSA-N 2 0 258.406 1.500 10 0 CDAERP O[C@H](C[NH2+][C@H]1CC[C@@H]1C1CCC1)C[NH+]1CCCC1 ZINC000337984842 285357293 /nfs/dbraw/zinc/35/72/93/285357293.db2.gz BKDDMPDNCJXIIE-KFWWJZLASA-N 2 0 252.402 1.611 10 0 CDAERP CC[C@@H]1CN(C(=O)c2ccc(C[NH3+])cc2)CC[C@@H]1[NH3+] ZINC000647015591 390355168 /nfs/dbraw/zinc/35/51/68/390355168.db2.gz VFJYVFDVAWQWRB-OCCSQVGLSA-N 2 0 261.369 1.345 10 0 CDAERP [NH3+]C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000178477439 390445194 /nfs/dbraw/zinc/44/51/94/390445194.db2.gz QKFGWFCQMHMXPA-IXXDHKBRSA-N 2 0 273.380 1.128 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCOCC(F)F)[C@H]2CCC[C@@H]21 ZINC000367539202 390866848 /nfs/dbraw/zinc/86/68/48/390866848.db2.gz XLXMSZFGZQLHKM-WOPDTQHZSA-N 2 0 262.344 1.731 10 0 CDAERP CCc1nccn1[C@H]1CCC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC000116278684 390818858 /nfs/dbraw/zinc/81/88/58/390818858.db2.gz FXDFXTBBYKKVSZ-QWHCGFSZSA-N 2 0 276.384 1.313 10 0 CDAERP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)CC1(C[NH3+])CC1 ZINC000648199258 390949714 /nfs/dbraw/zinc/94/97/14/390949714.db2.gz OKZPHMDOPTYRPX-CQSZACIVSA-N 2 0 273.380 1.200 10 0 CDAERP C[C@H](CC(=O)N[C@H]1CC[NH2+]C12CCCC2)C1CC[NH2+]CC1 ZINC000648206170 390951884 /nfs/dbraw/zinc/95/18/84/390951884.db2.gz VERKRDGTIAHTKX-HIFRSBDPSA-N 2 0 293.455 1.803 10 0 CDAERP Cn1nnc2cc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)ccc21 ZINC000647480246 390966854 /nfs/dbraw/zinc/96/68/54/390966854.db2.gz HQKQHRNTHCRUKV-LSDHHAIUSA-N 2 0 299.422 1.932 10 0 CDAERP [NH3+]CC1CCC([NH2+]Cc2ccc(CO)c(F)c2)CC1 ZINC000415075746 390983469 /nfs/dbraw/zinc/98/34/69/390983469.db2.gz AAEXALQMNLSDJG-UHFFFAOYSA-N 2 0 266.360 1.925 10 0 CDAERP O=C1c2ccccc2C(=O)N1CC[NH2+]CCC[NH2+]C1CC1 ZINC000415073926 390984312 /nfs/dbraw/zinc/98/43/12/390984312.db2.gz ZFVSQOIKRDGOFG-UHFFFAOYSA-N 2 0 287.363 1.014 10 0 CDAERP C[C@H](O)C[NH+]1CCC(CN(C)Cc2cocn2)CC1 ZINC000191941525 391031111 /nfs/dbraw/zinc/03/11/11/391031111.db2.gz DUNYYEHRMGMJDJ-LBPRGKRZSA-N 2 0 267.373 1.199 10 0 CDAERP CN(C)C(=O)CCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000368610435 391037059 /nfs/dbraw/zinc/03/70/59/391037059.db2.gz AHHAGRLSXIGALB-MJBXVCDLSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000419369020 391065105 /nfs/dbraw/zinc/06/51/05/391065105.db2.gz GUHVYWNZYBBMPV-HZSPNIEDSA-N 2 0 293.455 1.706 10 0 CDAERP C(C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)OC[C@@H]1CCCO1 ZINC000647903586 391201381 /nfs/dbraw/zinc/20/13/81/391201381.db2.gz MNMNCWKDWMEABD-OWCLPIDISA-N 2 0 282.428 1.646 10 0 CDAERP C[N@@H+]1CCC[C@@H](CCNC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC000418296598 391285085 /nfs/dbraw/zinc/28/50/85/391285085.db2.gz SVJCPCVGBUIFFF-SOUVJXGZSA-N 2 0 294.443 1.254 10 0 CDAERP Fc1ccc(N2CC[C@@H](N[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000335166668 391353416 /nfs/dbraw/zinc/35/34/16/391353416.db2.gz ABPPWPAQQBFECQ-ZIAGYGMSSA-N 2 0 263.360 1.746 10 0 CDAERP C[C@H]([NH2+][C@@H]1COc2ccc(F)cc2C1)C1C[NH2+]C1 ZINC000335221321 391364717 /nfs/dbraw/zinc/36/47/17/391364717.db2.gz DTHDDSONSUANND-ZANVPECISA-N 2 0 250.317 1.327 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C=C[C@H](CO)C2)[C@H]2CCC[C@@H]21 ZINC000353390591 391390826 /nfs/dbraw/zinc/39/08/26/391390826.db2.gz ZXRUNENVFXSDEQ-QRTUWBSPSA-N 2 0 250.386 1.386 10 0 CDAERP C[C@@H](Cc1ccoc1)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000648450478 391394393 /nfs/dbraw/zinc/39/43/93/391394393.db2.gz OBEKTNLFDKUKQQ-HOCLYGCPSA-N 2 0 291.439 1.969 10 0 CDAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CC[C@H]2SC)CC1 ZINC000425352996 391482582 /nfs/dbraw/zinc/48/25/82/391482582.db2.gz IMQPSNDXNNZAAP-MGPQQGTHSA-N 2 0 271.474 1.496 10 0 CDAERP CS[C@@H]1CC[C@H]1[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000425362902 391485266 /nfs/dbraw/zinc/48/52/66/391485266.db2.gz VUZHORBQTXDLNT-BFHYXJOUSA-N 2 0 271.474 1.354 10 0 CDAERP CS[C@@H]1CC[C@H]1[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000425362905 391485294 /nfs/dbraw/zinc/48/52/94/391485294.db2.gz VUZHORBQTXDLNT-MGPQQGTHSA-N 2 0 271.474 1.354 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)C[NH2+]C2(C(C)C)CC2)CC1 ZINC000411765572 391521101 /nfs/dbraw/zinc/52/11/01/391521101.db2.gz DTDAVNMXNCSNJS-UHFFFAOYSA-N 2 0 281.444 1.754 10 0 CDAERP OCC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC2(CCC2)C1 ZINC000647795634 391641687 /nfs/dbraw/zinc/64/16/87/391641687.db2.gz RZJOLCGSSHLNDP-RRFJBIMHSA-N 2 0 278.440 1.907 10 0 CDAERP c1nnc([C@H]2CCC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)n1C1CC1 ZINC000647988497 391644656 /nfs/dbraw/zinc/64/46/56/391644656.db2.gz SHDQIMSHLOWYBX-OLZOCXBDSA-N 2 0 275.400 1.402 10 0 CDAERP C[C@@H](CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)[N@H+](C)C1CC1 ZINC000417550784 391656426 /nfs/dbraw/zinc/65/64/26/391656426.db2.gz MGKFUZVSJZAANQ-XJKSGUPXSA-N 2 0 294.443 1.254 10 0 CDAERP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@H](O)C(F)F ZINC000647798872 391661205 /nfs/dbraw/zinc/66/12/05/391661205.db2.gz YLIBAKAEGNZCJA-JCIQBVFBSA-N 2 0 262.344 1.369 10 0 CDAERP CC[C@H](Cn1cncn1)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000340520361 391685633 /nfs/dbraw/zinc/68/56/33/391685633.db2.gz ZHINYOBQLCVCPQ-CQSZACIVSA-N 2 0 277.416 1.521 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)CCCC[NH3+])CC1 ZINC000519708779 391694750 /nfs/dbraw/zinc/69/47/50/391694750.db2.gz FUJNAJFVDSGATN-UHFFFAOYSA-N 2 0 255.406 1.352 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000417609067 391696267 /nfs/dbraw/zinc/69/62/67/391696267.db2.gz JXMQPZWESAIRCA-OLZOCXBDSA-N 2 0 270.421 1.016 10 0 CDAERP C[NH+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC000263615556 391755451 /nfs/dbraw/zinc/75/54/51/391755451.db2.gz CZSXHODTHRRSOA-MKCDUFERSA-N 3 0 263.429 1.826 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000418207792 391811710 /nfs/dbraw/zinc/81/17/10/391811710.db2.gz VBVWBMVIEVIBAU-TUAOUCFPSA-N 2 0 258.410 1.142 10 0 CDAERP CN(C(=O)CC[C@H]1CCCC[NH+]1C)[C@@H]1CCC[N@H+](C)C1 ZINC000354063610 391925873 /nfs/dbraw/zinc/92/58/73/391925873.db2.gz CBJKQNKRRRFYRP-HUUCEWRRSA-N 2 0 281.444 1.804 10 0 CDAERP C[NH+](C)C[C@H]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000365593269 391961846 /nfs/dbraw/zinc/96/18/46/391961846.db2.gz CMKQSFXADXRZMO-CZUORRHYSA-N 2 0 299.434 1.609 10 0 CDAERP CC(C)OCC[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000071871582 392019319 /nfs/dbraw/zinc/01/93/19/392019319.db2.gz RYIYNVNEJSCHLJ-CQSZACIVSA-N 2 0 272.433 1.436 10 0 CDAERP CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1CC1CC[NH2+]CC1 ZINC000261975139 392028413 /nfs/dbraw/zinc/02/84/13/392028413.db2.gz QRIOCXDPBABLGW-ZIAGYGMSSA-N 2 0 284.400 1.029 10 0 CDAERP C[C@]1(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)CC[NH2+]C1 ZINC000262026923 392031476 /nfs/dbraw/zinc/03/14/76/392031476.db2.gz NQNVLMSSISKBNI-BBRMVZONSA-N 2 0 289.427 1.403 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCC2CC2)CC1 ZINC000336806060 392090936 /nfs/dbraw/zinc/09/09/36/392090936.db2.gz CICQHXSIRYCLPS-INIZCTEOSA-N 2 0 265.445 1.888 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000649328413 392038614 /nfs/dbraw/zinc/03/86/14/392038614.db2.gz YGOKWRRTOXWNCO-NEPJUHHUSA-N 2 0 289.370 1.174 10 0 CDAERP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000335067540 392039515 /nfs/dbraw/zinc/03/95/15/392039515.db2.gz GPSKJGHJUDAPJD-GXTWGEPZSA-N 2 0 267.417 1.175 10 0 CDAERP CCCCOC[C@@H](O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000195178689 392054177 /nfs/dbraw/zinc/05/41/77/392054177.db2.gz VUHRUMVVKLTGPX-CABCVRRESA-N 2 0 272.433 1.438 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)[C@H]1[NH2+]CC1(C)C ZINC000649337480 392060282 /nfs/dbraw/zinc/06/02/82/392060282.db2.gz PJCODVIKFZAZTM-FRRDWIJNSA-N 2 0 265.401 1.070 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000422883491 392269079 /nfs/dbraw/zinc/26/90/79/392269079.db2.gz CIEIEZLSOFVELT-QRJUGERDSA-N 2 0 283.460 1.591 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCC[C@@H]1CCCCO1 ZINC000423032987 392289054 /nfs/dbraw/zinc/28/90/54/392289054.db2.gz FXFKRRKWTSPVIK-KGLIPLIRSA-N 2 0 258.406 1.679 10 0 CDAERP [NH3+]C1(CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)CCCCCC1 ZINC000529330364 392332994 /nfs/dbraw/zinc/33/29/94/392332994.db2.gz ORICIMVRKPVAPT-CYBMUJFWSA-N 2 0 294.443 1.622 10 0 CDAERP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000423100382 392344625 /nfs/dbraw/zinc/34/46/25/392344625.db2.gz BOVZGHUGKUYSCO-BPUTZDHNSA-N 2 0 262.397 1.568 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000423177726 392417398 /nfs/dbraw/zinc/41/73/98/392417398.db2.gz HRDCXKDSKSRBMB-YUELXQCFSA-N 2 0 263.360 1.874 10 0 CDAERP CC[C@@H](NCCC[NH2+]Cc1cccnc1)[C@@H]1CCC[NH2+]1 ZINC000423181997 392420736 /nfs/dbraw/zinc/42/07/36/392420736.db2.gz DMYRPEFIENZVIQ-CVEARBPZSA-N 2 0 276.428 1.682 10 0 CDAERP C[C@H]1CC[NH2+]C[C@H]1NCCC[NH2+]Cc1cccnc1 ZINC000423182496 392423026 /nfs/dbraw/zinc/42/30/26/392423026.db2.gz FANLWPAODGXLKE-DZGCQCFKSA-N 2 0 262.401 1.149 10 0 CDAERP [NH3+]C[C@H]1CCCC[C@H]1NCCC[NH2+]Cc1cccnc1 ZINC000423187873 392426309 /nfs/dbraw/zinc/42/63/09/392426309.db2.gz NEOLWWHZSOQYTE-HZPDHXFCSA-N 3 0 276.428 1.668 10 0 CDAERP COC(=O)COc1ccccc1[C@@H](C)[NH2+]CCC[NH3+] ZINC000423193412 392431704 /nfs/dbraw/zinc/43/17/04/392431704.db2.gz QPAABQCAHSNHFK-LLVKDONJSA-N 2 0 266.341 1.238 10 0 CDAERP C(CN1CC[NH2+]CC1)[NH2+][C@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000423211498 392447685 /nfs/dbraw/zinc/44/76/85/392447685.db2.gz YKFGQMWDYZMHGJ-XHSDSOJGSA-N 2 0 281.444 1.077 10 0 CDAERP CC[C@H]([NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1)C(=O)NC ZINC000423160104 392397890 /nfs/dbraw/zinc/39/78/90/392397890.db2.gz GWONJVVKJFNHDC-AGIUHOORSA-N 2 0 255.406 1.411 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC000573932458 392470363 /nfs/dbraw/zinc/47/03/63/392470363.db2.gz LKAGQWOFNZVTEV-HOTGVXAUSA-N 2 0 293.455 1.805 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NCCC[NH+]2CCC(C)CC2)C1 ZINC000646592361 392583974 /nfs/dbraw/zinc/58/39/74/392583974.db2.gz MYYKOOBNLJZGIP-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP CC[C@H]1C[N@H+](C)CCN1C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000517015176 392811797 /nfs/dbraw/zinc/81/17/97/392811797.db2.gz BABJMAIABPTVLS-KGLIPLIRSA-N 2 0 284.448 1.452 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)CC(F)(F)F)[C@H](C)C1 ZINC000189688816 393093145 /nfs/dbraw/zinc/09/31/45/393093145.db2.gz SFLAWWGWCKPMFR-UTUOFQBUSA-N 2 0 282.350 1.962 10 0 CDAERP CC[C@H](C(=O)NCC[N@H+](C)C1CCCCC1)[NH+](C)C ZINC000132235284 393094922 /nfs/dbraw/zinc/09/49/22/393094922.db2.gz AEOBGKDUXQFNSY-CQSZACIVSA-N 2 0 269.433 1.707 10 0 CDAERP CCC[C@H](C(=O)NC[C@H](C)[N@H+](C)C1CC1)[NH+](C)C ZINC000132322574 393097166 /nfs/dbraw/zinc/09/71/66/393097166.db2.gz LINUPWIVHFDZOC-WCQYABFASA-N 2 0 255.406 1.316 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)CC(F)(F)CN)cc1 ZINC000521637023 393034342 /nfs/dbraw/zinc/03/43/42/393034342.db2.gz PGMBJGFUUVLCOC-VIFPVBQESA-N 2 0 271.311 1.307 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)[C@@H]1C ZINC000495080900 393173123 /nfs/dbraw/zinc/17/31/23/393173123.db2.gz SQHSOYMOZCYNHA-MQYQWHSLSA-N 2 0 267.417 1.208 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CCCN2CCC[N@H+](C)CC2)[C@@H]1C ZINC000495083746 393174013 /nfs/dbraw/zinc/17/40/13/393174013.db2.gz ZDBWBNMGHOHMND-KFWWJZLASA-N 2 0 253.434 1.648 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CCCN2CCC[N@H+](C)CC2)[C@H]1C ZINC000495083745 393174473 /nfs/dbraw/zinc/17/44/73/393174473.db2.gz ZDBWBNMGHOHMND-ILXRZTDVSA-N 2 0 253.434 1.648 10 0 CDAERP OCC1(C[N@@H+]2CC[C@@H](n3cnc4c3CCCC4)C2)COC1 ZINC000328618548 393117051 /nfs/dbraw/zinc/11/70/51/393117051.db2.gz DVLRETXVKYZXOH-CYBMUJFWSA-N 2 0 291.395 1.018 10 0 CDAERP C[C@@H](CC[NH2+][C@@H]1CCC(=O)NC1(C)C)[NH+]1CCCCC1 ZINC000494973771 393144505 /nfs/dbraw/zinc/14/45/05/393144505.db2.gz KVJDLGRPEGNBKM-UONOGXRCSA-N 2 0 281.444 1.898 10 0 CDAERP CC1(C)NC(=O)CC[C@@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000494985335 393148185 /nfs/dbraw/zinc/14/81/85/393148185.db2.gz JHYISFBITAKIEI-AWEZNQCLSA-N 2 0 279.428 1.508 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000232924556 393320955 /nfs/dbraw/zinc/32/09/55/393320955.db2.gz WHPPIMACBGKVDE-OLZOCXBDSA-N 2 0 265.401 1.071 10 0 CDAERP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000233496987 140226708 /nfs/dbraw/zinc/22/67/08/140226708.db2.gz MNTJULFXUQYHFC-STQMWFEESA-N 2 0 267.417 1.223 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH2+]CCn2cc(C)cn2)[C@@H](C)C1 ZINC000245655213 140273647 /nfs/dbraw/zinc/27/36/47/140273647.db2.gz FWEVRUBRGXCOOB-UONOGXRCSA-N 2 0 250.390 1.511 10 0 CDAERP CN1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CCC1=O ZINC000250662798 140306016 /nfs/dbraw/zinc/30/60/16/140306016.db2.gz ZCGSNSMXAIQJDT-CBBWQLFWSA-N 2 0 279.428 1.508 10 0 CDAERP c1cn(CCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)nn1 ZINC000252859379 140327663 /nfs/dbraw/zinc/32/76/63/140327663.db2.gz MKCVPANFPDMDRS-RBSFLKMASA-N 2 0 277.416 1.569 10 0 CDAERP C[C@H]([NH3+])[C@H](C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261550037 140345170 /nfs/dbraw/zinc/34/51/70/140345170.db2.gz PDTJAULRIAYZNV-OFQRWUPVSA-N 2 0 289.423 1.703 10 0 CDAERP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc2c(c1)sc(=O)n2C ZINC000261785887 140389496 /nfs/dbraw/zinc/38/94/96/140389496.db2.gz FTZPVYHZQAYWEN-PWSUYJOCSA-N 2 0 291.420 1.769 10 0 CDAERP C[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)CC1 ZINC000261843128 140397983 /nfs/dbraw/zinc/39/79/83/140397983.db2.gz ANKRJUNUEJPRHQ-BRWVUGGUSA-N 2 0 295.471 1.465 10 0 CDAERP CCC(CC)(C[NH3+])C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261866609 140401660 /nfs/dbraw/zinc/40/16/60/140401660.db2.gz RXFSUNAGBSPDFL-BETUJISGSA-N 2 0 267.417 1.210 10 0 CDAERP CC[N@H+](CC(=O)NCCC[NH+](C)CC(C)C)C1CC1 ZINC000650180293 397767687 /nfs/dbraw/zinc/76/76/87/397767687.db2.gz OEXQXTOVBKFFDL-UHFFFAOYSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)C1([NH3+])CCCC1 ZINC000037616230 398096432 /nfs/dbraw/zinc/09/64/32/398096432.db2.gz JACUUTCHOFIMHN-GFCCVEGCSA-N 2 0 255.406 1.350 10 0 CDAERP C[C@H](CC(=O)N[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000211109032 398126694 /nfs/dbraw/zinc/12/66/94/398126694.db2.gz BXXBGGJHTRSNAF-MGPQQGTHSA-N 2 0 267.417 1.223 10 0 CDAERP COC[C@H](CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)OC ZINC000658084259 413186004 /nfs/dbraw/zinc/18/60/04/413186004.db2.gz XSGLYSZDBNKBOP-GBJTYRQASA-N 2 0 270.417 1.500 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]C[C@@H](F)CC ZINC001663968594 1172796481 /nfs/dbraw/zinc/79/64/81/1172796481.db2.gz UJCGROVYFAMNPE-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP Cc1c(C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cnn1C ZINC000093650148 147060781 /nfs/dbraw/zinc/06/07/81/147060781.db2.gz YHTYASZGLNRRJG-MRXNPFEDSA-N 2 0 293.459 1.090 10 0 CDAERP CCc1nccn1[C@H]1CCC[N@H+](CC(C)(C)O)C1 ZINC000105904147 147236842 /nfs/dbraw/zinc/23/68/42/147236842.db2.gz ZNTZWXPWVMWGOV-LBPRGKRZSA-N 2 0 251.374 1.853 10 0 CDAERP CCC[C@@H](C(=O)N1CC[C@@H](C[NH+](C)C)C1)[NH+](C)C ZINC000179572703 148122358 /nfs/dbraw/zinc/12/23/58/148122358.db2.gz PETUOTBDKAYVEH-STQMWFEESA-N 2 0 255.406 1.127 10 0 CDAERP C[C@@H]1C[C@@H](C[NH2+]CCN(C)C(=O)CCC[NH+](C)C)CCO1 ZINC001664146788 1172817188 /nfs/dbraw/zinc/81/71/88/1172817188.db2.gz QZDGZBBISGUJIB-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP CCOC[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658137065 413229082 /nfs/dbraw/zinc/22/90/82/413229082.db2.gz GJSKNNALFABGMJ-PBHICJAKSA-N 2 0 292.423 1.768 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH2+]CC2CC2)[C@@H](C)C1 ZINC000262661946 149091468 /nfs/dbraw/zinc/09/14/68/149091468.db2.gz GPFYTTOTLAGESK-GXTWGEPZSA-N 2 0 267.417 1.175 10 0 CDAERP Cc1cc(C)c(CNC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cn1 ZINC000334964579 150127073 /nfs/dbraw/zinc/12/70/73/150127073.db2.gz ODEVJQCGMMGZMF-SMDDNHRTSA-N 2 0 276.384 1.496 10 0 CDAERP [NH3+][C@H]1CCCCCC[C@H]1C(=O)N1CC[NH+]2CCC1CC2 ZINC000335039601 150215140 /nfs/dbraw/zinc/21/51/40/150215140.db2.gz ULJRLONCPYDLJN-CABCVRRESA-N 2 0 279.428 1.591 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000654406087 413248289 /nfs/dbraw/zinc/24/82/89/413248289.db2.gz ZLWRXGVWCSEUTM-CQSZACIVSA-N 2 0 288.395 1.072 10 0 CDAERP [NH3+]C1(CC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000662663246 413269957 /nfs/dbraw/zinc/26/99/57/413269957.db2.gz CNTXPMSJJHHICK-GFCCVEGCSA-N 2 0 293.436 1.883 10 0 CDAERP C[C@H]1C[C@H](N(C)C(=O)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000346420618 153178723 /nfs/dbraw/zinc/17/87/23/153178723.db2.gz YVQVKIDKTABOIN-GXTWGEPZSA-N 2 0 267.417 1.269 10 0 CDAERP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH+]1CCC(C)CC1 ZINC000347032407 153387158 /nfs/dbraw/zinc/38/71/58/153387158.db2.gz AGTLPVWLYOXKRS-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)([NH3+])c1cc(C(=O)NCCC[NH+]2CCCCC2)on1 ZINC000662672373 413289450 /nfs/dbraw/zinc/28/94/50/413289450.db2.gz UFPMUKFMVGWAEO-UHFFFAOYSA-N 2 0 294.399 1.474 10 0 CDAERP [NH3+]CC12CC(C1)CN2C(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000662680226 413298587 /nfs/dbraw/zinc/29/85/87/413298587.db2.gz HZIMADCXEYIGQT-FMPXUHTOSA-N 2 0 265.401 1.234 10 0 CDAERP O=C(C[C@@H]1CCC[NH2+]1)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000662686726 413311263 /nfs/dbraw/zinc/31/12/63/413311263.db2.gz PIASDQMJWSZBHC-GJZGRUSLSA-N 2 0 289.379 1.428 10 0 CDAERP O=C(C[NH2+]CC1CC1)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000662687435 413314167 /nfs/dbraw/zinc/31/41/67/413314167.db2.gz XZCYQDNGAORUIA-HNNXBMFYSA-N 2 0 289.379 1.286 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662691177 413318691 /nfs/dbraw/zinc/31/86/91/413318691.db2.gz GMIKDUKOPZBLMX-GFCCVEGCSA-N 2 0 267.417 1.495 10 0 CDAERP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)C1([NH2+]C2CC2)CCC1 ZINC000662701620 413343296 /nfs/dbraw/zinc/34/32/96/413343296.db2.gz BUMWBMZILDNKJF-LBPRGKRZSA-N 2 0 263.385 1.014 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)CC1([NH3+])CC1 ZINC000662712642 413362892 /nfs/dbraw/zinc/36/28/92/413362892.db2.gz VFOBTJBEHGBKON-RYUDHWBXSA-N 2 0 253.390 1.247 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC000362584977 159187409 /nfs/dbraw/zinc/18/74/09/159187409.db2.gz AKSMSAFKCOLWOJ-CQSZACIVSA-N 2 0 267.417 1.176 10 0 CDAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CCOCC[C@@H]2C)CC1 ZINC000374296194 160271440 /nfs/dbraw/zinc/27/14/40/160271440.db2.gz WJWDLRKSIUHJEI-INIZCTEOSA-N 2 0 283.460 1.513 10 0 CDAERP COC[C@@H](O)C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000374876165 160322839 /nfs/dbraw/zinc/32/28/39/160322839.db2.gz NISIRPIXFOPCPM-PVAVHDDUSA-N 2 0 292.423 1.494 10 0 CDAERP C[NH+](C)C1CCN(C(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000662756087 413437628 /nfs/dbraw/zinc/43/76/28/413437628.db2.gz GAYGXPFPBMODJN-UHFFFAOYSA-N 2 0 265.401 1.214 10 0 CDAERP [NH3+][C@H]1CCC[C@H](NC(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662770285 413469431 /nfs/dbraw/zinc/46/94/31/413469431.db2.gz OGBMSQYKCYNOMY-JQWIXIFHSA-N 2 0 251.374 1.047 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)C[NH+]1CCCC1 ZINC000059930959 289678456 /nfs/dbraw/zinc/67/84/56/289678456.db2.gz VRHDNJIWMUFBRR-UGUYLWEFSA-N 2 0 293.455 1.755 10 0 CDAERP [NH3+][C@@H]1CCC[C@H](NC(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662770287 413470754 /nfs/dbraw/zinc/47/07/54/413470754.db2.gz OGBMSQYKCYNOMY-PWSUYJOCSA-N 2 0 251.374 1.047 10 0 CDAERP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(NC(N)=O)cc1 ZINC000133728137 287058285 /nfs/dbraw/zinc/05/82/85/287058285.db2.gz SRSPIMSIEGWIHI-DGCLKSJQSA-N 2 0 276.384 1.970 10 0 CDAERP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C ZINC000020308991 171143238 /nfs/dbraw/zinc/14/32/38/171143238.db2.gz UPYPEMXOBLMMTK-OLZOCXBDSA-N 2 0 257.422 1.563 10 0 CDAERP COC(C)(C)C[C@@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000020524595 171237691 /nfs/dbraw/zinc/23/76/91/171237691.db2.gz FFFGBQVBYFZVKY-CQSZACIVSA-N 2 0 271.449 1.417 10 0 CDAERP [NH3+][C@H](Cc1ccccc1)C[C@H](O)[C@H]([NH3+])Cc1ccccc1 ZINC000021989081 171346240 /nfs/dbraw/zinc/34/62/40/171346240.db2.gz BIZHLXOOWGXFLC-KURKYZTESA-N 2 0 284.403 1.877 10 0 CDAERP CC[NH+]1CCN([C@@H](C)C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000022214895 171375587 /nfs/dbraw/zinc/37/55/87/171375587.db2.gz BYBGOXNSHAAOOD-ZDUSSCGKSA-N 2 0 290.411 1.110 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N2CC3CCC2(C[NH3+])CC3)CC1 ZINC000653169373 412106582 /nfs/dbraw/zinc/10/65/82/412106582.db2.gz FFLFNHGVJMCLQB-UHFFFAOYSA-N 2 0 293.455 1.837 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000653176478 412115865 /nfs/dbraw/zinc/11/58/65/412115865.db2.gz WIRKZYOCNCVLGJ-CQSZACIVSA-N 2 0 281.444 1.470 10 0 CDAERP CC[C@@H](C(=O)NCCC1(C[NH3+])CC1)[NH+](CC)CC ZINC000653221200 412148078 /nfs/dbraw/zinc/14/80/78/412148078.db2.gz MPJSECPPJCWANO-LBPRGKRZSA-N 2 0 255.406 1.352 10 0 CDAERP C[C@]([NH3+])(C(=O)NCCC1(C[NH3+])CC1)c1ccccc1 ZINC000653221160 412148480 /nfs/dbraw/zinc/14/84/80/412148480.db2.gz KRTSHRPMMLPERC-CQSZACIVSA-N 2 0 261.369 1.106 10 0 CDAERP C[C@@H]1CCCN(C(=O)c2ccc(C[NH3+])cc2)[C@H]1CC[NH3+] ZINC000653232857 412152805 /nfs/dbraw/zinc/15/28/05/412152805.db2.gz KZBAFZLODOZJQP-DOMZBBRYSA-N 2 0 275.396 1.735 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)[C@@H]1C ZINC000311043145 413483467 /nfs/dbraw/zinc/48/34/67/413483467.db2.gz FHXHNBLWOOCQLU-MCIONIFRSA-N 2 0 253.434 1.647 10 0 CDAERP O=C(Nc1ccc2c(c1)C[NH2+]C2)C1([NH2+]C2CC2)CCC1 ZINC000662784487 413491457 /nfs/dbraw/zinc/49/14/57/413491457.db2.gz KHKBHLWGFUMPSV-UHFFFAOYSA-N 2 0 271.364 1.903 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)CC2([NH3+])CC2)CC1 ZINC000662788577 413500947 /nfs/dbraw/zinc/50/09/47/413500947.db2.gz MCSAPGVTZGOHSO-UHFFFAOYSA-N 2 0 253.390 1.104 10 0 CDAERP O=C(NCC1CC[NH+](C2CC2)CC1)C1([NH2+]C2CC2)CCC1 ZINC000662810689 413532624 /nfs/dbraw/zinc/53/26/24/413532624.db2.gz RHGUJCFUVJCCTN-UHFFFAOYSA-N 2 0 291.439 1.652 10 0 CDAERP C[C@@H](NC(=O)NC[C@H](C)[N@H+](C)C1CC1)c1nccn1C ZINC000660855029 413581119 /nfs/dbraw/zinc/58/11/19/413581119.db2.gz ISKZLQGBQPACGY-WDEREUQCSA-N 2 0 279.388 1.263 10 0 CDAERP CCO[C@@H]1CN(CC(=O)N2CCCC[C@H]2CC)C[C@H]1C[NH3+] ZINC000405589761 413634202 /nfs/dbraw/zinc/63/42/02/413634202.db2.gz MLQGWSVLDFAGOZ-RBSFLKMASA-N 2 0 297.443 1.073 10 0 CDAERP CCN(C(=O)NCc1cnccc1OC)[C@H]1CC[N@H+](C)C1 ZINC000664951538 413756642 /nfs/dbraw/zinc/75/66/42/413756642.db2.gz AXPVUDOUEDXLHG-ZDUSSCGKSA-N 2 0 292.383 1.326 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)c2ccc3c(c2)C[NH2+]C3)C1 ZINC000131122908 413815885 /nfs/dbraw/zinc/81/58/85/413815885.db2.gz PJRFCRIEKJCFJJ-AWEZNQCLSA-N 2 0 259.353 1.114 10 0 CDAERP Cc1c[nH+]ccc1N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000191980705 292978939 /nfs/dbraw/zinc/97/89/39/292978939.db2.gz KKYCFWSLAXWKFV-AWEZNQCLSA-N 2 0 277.412 1.919 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000659500670 413890981 /nfs/dbraw/zinc/89/09/81/413890981.db2.gz DDTWJONRKLZYEL-WTUNAVPPSA-N 2 0 282.432 1.284 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1)[N@H+](C)C1CC1 ZINC000407400869 413952741 /nfs/dbraw/zinc/95/27/41/413952741.db2.gz DTYBTCUBEPBAOO-HONMWMINSA-N 2 0 265.401 1.116 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659552412 413961027 /nfs/dbraw/zinc/96/10/27/413961027.db2.gz XYAVLJSERKWZTH-AVGNSLFASA-N 2 0 282.432 1.428 10 0 CDAERP COC[C@H](CC[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+])OC ZINC000665234911 413964604 /nfs/dbraw/zinc/96/46/04/413964604.db2.gz MGMFBTZEUBOMBK-KBMXLJTQSA-N 2 0 280.412 1.586 10 0 CDAERP C[C@H]1C[N@H+](C)C[C@@H]1N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665257903 413981726 /nfs/dbraw/zinc/98/17/26/413981726.db2.gz XXIPXAIMHXCLOW-DXEWXGHRSA-N 2 0 291.414 1.811 10 0 CDAERP CC[C@H](C)[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000665285523 414026181 /nfs/dbraw/zinc/02/61/81/414026181.db2.gz PBRNTKWFNDQQNO-LBPRGKRZSA-N 2 0 255.406 1.365 10 0 CDAERP CC[C@H](C)NC(=O)[C@H](C)[N@H+](CCC[NH3+])C1CCCC1 ZINC000037299698 173105172 /nfs/dbraw/zinc/10/51/72/173105172.db2.gz MDZBXCVGAAZUIF-STQMWFEESA-N 2 0 269.433 1.883 10 0 CDAERP CC[NH+]1CCC([C@@H](C)[NH2+]CCCC(=O)OC)CC1 ZINC000037415974 173192659 /nfs/dbraw/zinc/19/26/59/173192659.db2.gz VFMVVKSQJSSIQY-GFCCVEGCSA-N 2 0 256.390 1.650 10 0 CDAERP CCN(CC[C@@H]1CCCC[N@@H+]1C)C1CC[NH2+]CC1 ZINC000037538026 173257994 /nfs/dbraw/zinc/25/79/94/173257994.db2.gz OTEDUNHWNBTZPC-AWEZNQCLSA-N 2 0 253.434 1.935 10 0 CDAERP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cc2n(n1)CCC2 ZINC000657356010 414223983 /nfs/dbraw/zinc/22/39/83/414223983.db2.gz DXISXXSZIUORPT-INIZCTEOSA-N 2 0 292.427 1.156 10 0 CDAERP CC[C@@H]1C[C@H]([NH2+]C[C@H](C)CN2CC[NH+](C)CC2)CO1 ZINC000657347290 414183809 /nfs/dbraw/zinc/18/38/09/414183809.db2.gz WQLUUIDDUMDBJA-SOUVJXGZSA-N 2 0 269.433 1.027 10 0 CDAERP CCn1cc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cn1 ZINC000655806431 414198696 /nfs/dbraw/zinc/19/86/96/414198696.db2.gz VMILIYONAFUEKQ-BZPMIXESSA-N 2 0 250.390 1.894 10 0 CDAERP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655807397 414202572 /nfs/dbraw/zinc/20/25/72/414202572.db2.gz LFEBGBAAGUXRIJ-MCIONIFRSA-N 2 0 269.433 1.563 10 0 CDAERP CCN(C(=O)NCC1([NH+](C)C)CCCC1)[C@H]1CC[N@H+](C)C1 ZINC000663439670 414256499 /nfs/dbraw/zinc/25/64/99/414256499.db2.gz TYMJBEDRFCSRBB-AWEZNQCLSA-N 2 0 296.459 1.596 10 0 CDAERP CC[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CO1 ZINC000657399977 414284738 /nfs/dbraw/zinc/28/47/38/414284738.db2.gz KHTSMMTYYXTVEQ-HZMVEIRTSA-N 2 0 296.455 1.911 10 0 CDAERP C[NH+](C)CCC[C@H]1CN(C[C@]2(C)CC[NH2+]C2)CCO1 ZINC000663509923 414312264 /nfs/dbraw/zinc/31/22/64/414312264.db2.gz BKKQTVWKVGZXAP-LSDHHAIUSA-N 2 0 269.433 1.029 10 0 CDAERP C[C@]1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCC(=O)N1 ZINC000657488623 414387743 /nfs/dbraw/zinc/38/77/43/414387743.db2.gz UBYIQLKIMWDZSX-OAHLLOKOSA-N 2 0 285.351 1.026 10 0 CDAERP Cn1nccc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657535336 414419673 /nfs/dbraw/zinc/41/96/73/414419673.db2.gz KDUBTPHBKZMVAM-UHFFFAOYSA-N 2 0 292.427 1.401 10 0 CDAERP C[N@@H+](Cc1cccs1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662250087 414585395 /nfs/dbraw/zinc/58/53/95/414585395.db2.gz XPHPWCLZQJKOIB-NSHDSACASA-N 2 0 252.383 1.701 10 0 CDAERP CC[N@@H+](Cc1ccccn1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662263669 414601126 /nfs/dbraw/zinc/60/11/26/414601126.db2.gz PDORBVYFLFCJGP-AWEZNQCLSA-N 2 0 261.369 1.425 10 0 CDAERP C(CC1CC[NH2+]CC1)C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662315222 414633408 /nfs/dbraw/zinc/63/34/08/414633408.db2.gz CSKPBHXEBAEHLQ-GJZGRUSLSA-N 2 0 252.402 1.735 10 0 CDAERP C[C@@H](CCc1ccccc1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038030901 174023317 /nfs/dbraw/zinc/02/33/17/174023317.db2.gz PENJZHXZPPCUCG-HNNXBMFYSA-N 2 0 289.423 1.371 10 0 CDAERP CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]C[C@@H]2COCCO2)C1 ZINC000038060771 174071580 /nfs/dbraw/zinc/07/15/80/174071580.db2.gz ITZFLZHDAUPULR-MGPQQGTHSA-N 2 0 256.390 1.112 10 0 CDAERP C[C@@H]([NH2+]CCc1nccn1C)[C@@H]1CCC[N@H+](C)C1 ZINC000040639012 174362729 /nfs/dbraw/zinc/36/27/29/174362729.db2.gz GGXUZWVLVUXYGR-CHWSQXEVSA-N 2 0 250.390 1.283 10 0 CDAERP [NH3+]CCCC[NH2+][C@@H]1CCN(CCc2ccccc2)C1 ZINC000040671481 174369873 /nfs/dbraw/zinc/36/98/73/174369873.db2.gz HASGUPCHAJFZCN-MRXNPFEDSA-N 2 0 261.413 1.632 10 0 CDAERP C[C@@H](CC(N)=[NH2+])N1CCC([NH+]2CCCCC2)CC1 ZINC000040694105 174377926 /nfs/dbraw/zinc/37/79/26/174377926.db2.gz NUMIXFVWGVXJAK-LBPRGKRZSA-N 2 0 252.406 1.651 10 0 CDAERP C[N@H+](CCCN[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000043327311 175008875 /nfs/dbraw/zinc/00/88/75/175008875.db2.gz GYUGMGXTEHDMEW-CQSZACIVSA-N 2 0 253.434 1.983 10 0 CDAERP CC[C@H]([NH3+])[C@@H](c1ccncc1)N(C)C1CC[NH+](C)CC1 ZINC000043353027 175020199 /nfs/dbraw/zinc/02/01/99/175020199.db2.gz FJVATYDOQJAOMZ-JKSUJKDBSA-N 2 0 276.428 1.886 10 0 CDAERP CCC[C@@H](C)NC(=O)[C@@H](C)[N@H+](CCC[NH3+])CC(C)C ZINC000043417379 175038397 /nfs/dbraw/zinc/03/83/97/175038397.db2.gz QSUOIRSSBWEMTD-ZIAGYGMSSA-N 2 0 271.449 1.987 10 0 CDAERP [NH3+]CCc1ccc(OCC[N@@H+]2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000043424192 175040006 /nfs/dbraw/zinc/04/00/06/175040006.db2.gz YYJCWLHYUJCQNS-DLBZAZTESA-N 2 0 290.407 1.820 10 0 CDAERP C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC[C@@H]1CCCC[NH2+]1 ZINC000043498725 175058079 /nfs/dbraw/zinc/05/80/79/175058079.db2.gz YIOOUPSCBPGHBG-UPJWGTAASA-N 2 0 253.390 1.104 10 0 CDAERP CC(C)[C@H](CNC(=O)[C@@H]1[NH2+]CCc2ccccc21)[NH+](C)C ZINC000043595771 175076678 /nfs/dbraw/zinc/07/66/78/175076678.db2.gz YODSFAPDLYBELZ-JKSUJKDBSA-N 2 0 289.423 1.576 10 0 CDAERP C[NH2+][C@H]1c2ccccc2CCC[C@@H]1N1CC[NH+](C)CC1 ZINC000043810345 175109336 /nfs/dbraw/zinc/10/93/36/175109336.db2.gz UCTXROGJKZEPFF-IRXDYDNUSA-N 2 0 273.424 1.899 10 0 CDAERP C[NH2+][C@@H]1c2ccccc2OC[C@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815251 175111642 /nfs/dbraw/zinc/11/16/42/175111642.db2.gz OPEVAOMTYKGYKC-NVXWUHKLSA-N 2 0 289.423 1.734 10 0 CDAERP C[NH2+][C@@H](CN1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000043967507 175128477 /nfs/dbraw/zinc/12/84/77/175128477.db2.gz JURVIEUZMSDLSR-INIZCTEOSA-N 2 0 259.397 1.727 10 0 CDAERP O=c1[nH]c([NH2+]CC2CC[NH2+]CC2)cc2ccccc21 ZINC000044509277 175187211 /nfs/dbraw/zinc/18/72/11/175187211.db2.gz IIRUABKDYAHRCS-UHFFFAOYSA-N 2 0 257.337 1.940 10 0 CDAERP C[C@]1(c2ccccc2)OC[C@@H](C[NH+]2CCC(C[NH3+])CC2)O1 ZINC000044514107 175189580 /nfs/dbraw/zinc/18/95/80/175189580.db2.gz MBDAZJZAMJPIDZ-SJORKVTESA-N 2 0 290.407 1.945 10 0 CDAERP CC[NH+]1CCC(C[NH2+]CC(=O)N[C@H](C)C(C)C)CC1 ZINC000044518433 175190859 /nfs/dbraw/zinc/19/08/59/175190859.db2.gz MUJLOAIJPWMNTO-CYBMUJFWSA-N 2 0 269.433 1.469 10 0 CDAERP CCC[NH2+][C@](C)(CCC[N@@H+]1CCC[C@@H]1CC)C(N)=O ZINC000045367542 175362832 /nfs/dbraw/zinc/36/28/32/175362832.db2.gz PSLBPPDSTDSRJJ-DZGCQCFKSA-N 2 0 269.433 1.885 10 0 CDAERP CC[NH2+][C@@](C)(CCC[N@@H+]1CCC[C@@H](CC)C1)C(N)=O ZINC000045393522 175376403 /nfs/dbraw/zinc/37/64/03/175376403.db2.gz MHEDTFHQJATXKJ-HIFRSBDPSA-N 2 0 269.433 1.742 10 0 CDAERP CC(C)[C@H]1C[C@](C[NH3+])(N(C)CC[NH+]2CCCC2)CCO1 ZINC000070366385 175895737 /nfs/dbraw/zinc/89/57/37/175895737.db2.gz ZSRNUUXEHDWJKT-HZPDHXFCSA-N 2 0 283.460 1.547 10 0 CDAERP C[C@@H](CN1CCC[C@@H]([NH2+]C2CC2)C1=O)C[NH+]1CCCC1 ZINC000071031256 176022512 /nfs/dbraw/zinc/02/25/12/176022512.db2.gz QGEFYDGUAWCBJO-UKRRQHHQSA-N 2 0 279.428 1.461 10 0 CDAERP CCC[NH2+][C@H]1CCN(CC(C)(C)C[NH+](C)C)C1=O ZINC000071036140 176025300 /nfs/dbraw/zinc/02/53/00/176025300.db2.gz CWQZWJURDQFRQX-LBPRGKRZSA-N 2 0 255.406 1.175 10 0 CDAERP CCC[NH2+][C@@H]1CCCN(C[C@H](C)[NH+]2CCCCC2)C1=O ZINC000071036381 176025600 /nfs/dbraw/zinc/02/56/00/176025600.db2.gz JCJYOQAQCBMCTJ-LSDHHAIUSA-N 2 0 281.444 1.851 10 0 CDAERP C[C@@H](C[NH+]1CCCCC1)N1CC[C@H]([NH2+]C2CC2)C1=O ZINC000071037356 176026030 /nfs/dbraw/zinc/02/60/30/176026030.db2.gz SSEQKWRIHSDQOM-JSGCOSHPSA-N 2 0 265.401 1.214 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)[C@@H](CC[NH3+])C(F)(F)F ZINC000071188235 176063129 /nfs/dbraw/zinc/06/31/29/176063129.db2.gz LVPMOMHCFROUGF-ZJUUUORDSA-N 2 0 253.312 1.150 10 0 CDAERP C[NH2+][C@](C)(CCCC[N@H+](C)C[C@@H]1CC[NH+](C)C1)C(=O)[O-] ZINC000071190836 176067730 /nfs/dbraw/zinc/06/77/30/176067730.db2.gz GMESIGVPNAONPY-DZGCQCFKSA-N 2 0 285.432 1.103 10 0 CDAERP CC[NH2+]Cc1ccc(N(C)C[C@H]2CC[N@H+](C)C2)nc1 ZINC000071191661 176072085 /nfs/dbraw/zinc/07/20/85/176072085.db2.gz UEMRGHJJCHGITB-AWEZNQCLSA-N 2 0 262.401 1.579 10 0 CDAERP CN(Cc1ccc(F)cc1C[NH3+])[C@@H]1CCC[N@H+](C)C1 ZINC000071263629 176096700 /nfs/dbraw/zinc/09/67/00/176096700.db2.gz VULAGKQGTYJURK-OAHLLOKOSA-N 2 0 265.376 1.810 10 0 CDAERP C[C@@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000071380148 176144257 /nfs/dbraw/zinc/14/42/57/176144257.db2.gz KDJUGTXVVOBNAJ-IPYPFGDCSA-N 2 0 281.444 1.741 10 0 CDAERP Cc1ccc([C@@H](C[NH3+])N2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000071380368 176145023 /nfs/dbraw/zinc/14/50/23/176145023.db2.gz ZTGAJWQJHAYWBH-MRXNPFEDSA-N 2 0 291.439 1.383 10 0 CDAERP CC[C@](C)(C[NH2+]C)CN1CC[NH+](CC(C)(C)O)CC1 ZINC000071381758 176145819 /nfs/dbraw/zinc/14/58/19/176145819.db2.gz SLDGNTHBFYZUDJ-OAHLLOKOSA-N 2 0 271.449 1.011 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1[C@@H]1CCC[NH+]1C ZINC000071870417 176283012 /nfs/dbraw/zinc/28/30/12/176283012.db2.gz LSBHLELVMUMETR-ARFHVFGLSA-N 2 0 293.455 1.946 10 0 CDAERP C[C@H]1C[N@@H+](C2CCN(CC[NH+]3CCCCC3)CC2)CCO1 ZINC000077172914 177230016 /nfs/dbraw/zinc/23/00/16/177230016.db2.gz SIRRWXBSJBXZPV-INIZCTEOSA-N 2 0 295.471 1.657 10 0 CDAERP CC1(C)NC(=O)CC[C@@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658354258 423872314 /nfs/dbraw/zinc/87/23/14/423872314.db2.gz YZIUQAYNNLYCAC-HNNXBMFYSA-N 2 0 293.455 1.755 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)[C@@H](C)C1 ZINC000655449290 423875943 /nfs/dbraw/zinc/87/59/43/423875943.db2.gz TVXWXYAJWMEQAG-QBYUYEEZSA-N 2 0 293.455 1.565 10 0 CDAERP C[NH+](C)C1CCC(NC(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652223648 424100730 /nfs/dbraw/zinc/10/07/30/424100730.db2.gz KHNIIIVQGKJQAM-UHFFFAOYSA-N 2 0 282.432 1.287 10 0 CDAERP C[C@@H](C[NH2+]CCC(C)(C)C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001667054893 1173228324 /nfs/dbraw/zinc/22/83/24/1173228324.db2.gz UPAULVLGXAHCLC-UONOGXRCSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662685084 424315567 /nfs/dbraw/zinc/31/55/67/424315567.db2.gz PFUBHZHRAGWNCO-ZDUSSCGKSA-N 2 0 281.444 1.741 10 0 CDAERP O=C([C@@H]1CC[C@H](C2CC2)[NH2+]1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000653126017 424322802 /nfs/dbraw/zinc/32/28/02/424322802.db2.gz GMPKZPOTOQEYJW-QXSJWSMHSA-N 2 0 291.439 1.508 10 0 CDAERP CCCCNC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652360586 424325361 /nfs/dbraw/zinc/32/53/61/424325361.db2.gz LYXOCWZJDQHOPU-RRFJBIMHSA-N 2 0 297.443 1.264 10 0 CDAERP C[C@@H](CNC(=O)CC1([NH3+])CC1)[N@@H+]1CCc2ccccc2C1 ZINC000662698439 424338020 /nfs/dbraw/zinc/33/80/20/424338020.db2.gz MOBNPKZOIPLMSL-ZDUSSCGKSA-N 2 0 287.407 1.431 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N(C)CC[NH+]1CCCCC1 ZINC000659619997 424415416 /nfs/dbraw/zinc/41/54/16/424415416.db2.gz XKVTUUPCNHFTIQ-CQSZACIVSA-N 2 0 284.448 1.487 10 0 CDAERP CCC[C@](C)([NH3+])C(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655489407 424507864 /nfs/dbraw/zinc/50/78/64/424507864.db2.gz QMWVZYALMKDTOD-CXTNEJHOSA-N 2 0 285.432 1.118 10 0 CDAERP CC(C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCCF ZINC001667440250 1173268056 /nfs/dbraw/zinc/26/80/56/1173268056.db2.gz HQDVOTXWESZEIR-OLZOCXBDSA-N 2 0 273.396 1.171 10 0 CDAERP CC(C)[NH2+][C@H](CNC(=O)C[N@H+](C)C(C)C)C(C)C ZINC001667519493 1173279262 /nfs/dbraw/zinc/27/92/62/1173279262.db2.gz HVIXQMIEYUJLCT-CYBMUJFWSA-N 2 0 257.422 1.465 10 0 CDAERP C[C@H]([NH2+]CC(C)(C)O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185672538 270258525 /nfs/dbraw/zinc/25/85/25/270258525.db2.gz OXTGDUGMCHQJFE-QWHCGFSZSA-N 2 0 254.418 2.000 10 0 CDAERP C[NH2+]CC1CC[NH+](Cc2cc(CO)ccc2F)CC1 ZINC000530208518 271151961 /nfs/dbraw/zinc/15/19/61/271151961.db2.gz HKDJWFKMFWTVJE-UHFFFAOYSA-N 2 0 266.360 1.749 10 0 CDAERP C[C@H](C[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1)C(C)(C)C ZINC000530244549 271180494 /nfs/dbraw/zinc/18/04/94/271180494.db2.gz ZKDNTEDXSHJZFI-CQSZACIVSA-N 2 0 296.459 1.311 10 0 CDAERP CC(C)(C)[NH2+]CCNc1ccc2c(c1)OCC[NH2+]C2 ZINC000530246496 271181989 /nfs/dbraw/zinc/18/19/89/271181989.db2.gz IACYQFHBRKFMMT-UHFFFAOYSA-N 2 0 263.385 1.969 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000334622614 277046426 /nfs/dbraw/zinc/04/64/26/277046426.db2.gz BQCYYXBZZSNGFF-DZGCQCFKSA-N 2 0 265.401 1.073 10 0 CDAERP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCCC[C@@H]3O)CC[C@H]21 ZINC000227342922 277069187 /nfs/dbraw/zinc/06/91/87/277069187.db2.gz PYXQDQCYGJVDLT-TUVASFSCSA-N 2 0 252.402 1.706 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2CCOCC2)[C@@H]2CCC[C@H]21 ZINC000367517484 277170618 /nfs/dbraw/zinc/17/06/18/277170618.db2.gz BKXKSBLCJIHHJZ-SOUVJXGZSA-N 2 0 252.402 1.875 10 0 CDAERP C[C@@H](CC[NH2+]Cc1cncs1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001668309358 1173393845 /nfs/dbraw/zinc/39/38/45/1173393845.db2.gz HUIUETDHRCDORV-NWDGAFQWSA-N 2 0 296.440 1.079 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000417826549 277933602 /nfs/dbraw/zinc/93/36/02/277933602.db2.gz MZHVDADMCNJBPT-SNPRPXQTSA-N 2 0 289.423 1.827 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CC[NH2+]CC1CC1 ZINC001668321437 1173396485 /nfs/dbraw/zinc/39/64/85/1173396485.db2.gz ZHRVHALWNAKINW-GFCCVEGCSA-N 2 0 255.406 1.221 10 0 CDAERP C[C@H](C(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1)C1C[NH2+]C1 ZINC000367608565 278138857 /nfs/dbraw/zinc/13/88/57/278138857.db2.gz RUWHVVZIJJUCCU-DZGCQCFKSA-N 2 0 279.428 1.319 10 0 CDAERP CC1(C)CN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC[NH2+]1 ZINC000417825923 278314702 /nfs/dbraw/zinc/31/47/02/278314702.db2.gz CTOLUDWJYCVNRE-AGIUHOORSA-N 2 0 265.401 1.118 10 0 CDAERP CCN(CCC[NH+](CC)CC)C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000418712541 279093231 /nfs/dbraw/zinc/09/32/31/279093231.db2.gz XIJGPEKQSJSOPN-OLZOCXBDSA-N 2 0 272.437 1.486 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000252388829 279130823 /nfs/dbraw/zinc/13/08/23/279130823.db2.gz GLQBVKRBVNZRMO-JJXSEGSLSA-N 2 0 295.471 2.000 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000110371168 279180580 /nfs/dbraw/zinc/18/05/80/279180580.db2.gz DNFLGWONJOZRAC-GJZGRUSLSA-N 2 0 253.434 1.920 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](C)[C@H]2CCC[C@@H]21 ZINC000353448780 279314553 /nfs/dbraw/zinc/31/45/53/279314553.db2.gz PLHTVSKHVYEELG-FPCVCCKLSA-N 2 0 265.445 1.933 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2C[C@H](C)[NH+](C3CC3)C2)C1 ZINC000247099609 279321987 /nfs/dbraw/zinc/32/19/87/279321987.db2.gz ZDFSGNKCDQLICE-IHRRRGAJSA-N 2 0 294.443 1.395 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCC[NH+](C)C(C)C ZINC000177489114 279325786 /nfs/dbraw/zinc/32/57/86/279325786.db2.gz CGMYWUPIVDSHKW-AWEZNQCLSA-N 2 0 284.448 1.452 10 0 CDAERP CC(C)[NH2+]CCN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000193450125 279607635 /nfs/dbraw/zinc/60/76/35/279607635.db2.gz WPGGEAJIOVWZCA-OAHLLOKOSA-N 2 0 253.434 1.792 10 0 CDAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)C[C@@H]3CCC[NH2+]C3)CC[C@H]21 ZINC000227332664 280104716 /nfs/dbraw/zinc/10/47/16/280104716.db2.gz YZGQLDPITNIYBE-RRFJBIMHSA-N 2 0 279.428 1.319 10 0 CDAERP CCC[C@H](C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)[NH+](C)C ZINC000245642519 280225602 /nfs/dbraw/zinc/22/56/02/280225602.db2.gz BJDNNPSRXPTXAN-QLFBSQMISA-N 2 0 283.460 1.953 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000524039807 281102584 /nfs/dbraw/zinc/10/25/84/281102584.db2.gz UBAVTOLYXDZNJX-GJZGRUSLSA-N 2 0 279.428 1.558 10 0 CDAERP C[C@@H]([NH2+][C@H]1CCCN(CCCO)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527713090 281175197 /nfs/dbraw/zinc/17/51/97/281175197.db2.gz JYMVPIDNNPETLZ-OEAJRASXSA-N 2 0 266.429 1.857 10 0 CDAERP CCc1ccc([C@H](CN2CCOCC2)[NH2+]CCC[NH3+])cc1 ZINC000423186577 281425858 /nfs/dbraw/zinc/42/58/58/281425858.db2.gz KMEVZLXGMHLTFL-KRWDZBQOSA-N 2 0 291.439 1.561 10 0 CDAERP CCN(CC[NH2+]CC1CCCC1)C(=O)CC[NH+](C)C ZINC001668542286 1173424240 /nfs/dbraw/zinc/42/42/40/1173424240.db2.gz NRAYRKQNBJJFCN-UHFFFAOYSA-N 2 0 269.433 1.566 10 0 CDAERP C[NH+](C)CC1(C(=O)NC[C@@H]2CCC[N@@H+]2C)CCCCC1 ZINC000426432407 282062613 /nfs/dbraw/zinc/06/26/13/282062613.db2.gz HGDXQJZVXPGXGL-AWEZNQCLSA-N 2 0 281.444 1.709 10 0 CDAERP CCC[C@@H](C(=O)N(C)CC1CC[NH+](C)CC1)[NH+](C)C ZINC000152387174 289130553 /nfs/dbraw/zinc/13/05/53/289130553.db2.gz JIVPXTAEZKZOPU-AWEZNQCLSA-N 2 0 269.433 1.517 10 0 CDAERP C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCCCCC1 ZINC000357921873 289254598 /nfs/dbraw/zinc/25/45/98/289254598.db2.gz SKINCGBKARAFHN-GDBMZVCRSA-N 2 0 293.455 1.946 10 0 CDAERP C[NH+]1CCC(C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)CC1 ZINC000186494902 289869045 /nfs/dbraw/zinc/86/90/45/289869045.db2.gz YLTOQHDAGMZNEW-CYBMUJFWSA-N 2 0 265.401 1.071 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC000553492137 290121706 /nfs/dbraw/zinc/12/17/06/290121706.db2.gz TZQBIIAHFHUTDY-CVEARBPZSA-N 2 0 293.455 1.663 10 0 CDAERP CC[C@H]1CC[C@@H]1[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000554369839 290156082 /nfs/dbraw/zinc/15/60/82/290156082.db2.gz RLWHCGLGYGWGTH-KKUMJFAQSA-N 2 0 283.460 1.857 10 0 CDAERP C[C@H]1CC2(CCC2)C[N@@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000334820011 290361237 /nfs/dbraw/zinc/36/12/37/290361237.db2.gz XCLPLRXPNAVTEI-UONOGXRCSA-N 2 0 279.428 1.448 10 0 CDAERP COc1ccccc1OCC[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000562958417 293226166 /nfs/dbraw/zinc/22/61/66/293226166.db2.gz HULSWKMLDVURJD-OLZOCXBDSA-N 2 0 264.369 1.662 10 0 CDAERP C[C@@H]1C[N@H+](C[C@@H](O)C(C)(C)C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343695614 297010699 /nfs/dbraw/zinc/01/06/99/297010699.db2.gz RHCHJPOULWLKJJ-OWCLPIDISA-N 2 0 297.487 1.351 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000564938014 293463016 /nfs/dbraw/zinc/46/30/16/293463016.db2.gz RMCRZAHLASUZRX-QJPTWQEYSA-N 2 0 258.410 1.142 10 0 CDAERP O=C(CC1CC[NH2+]CC1)NC1CC([NH+]2CCCCC2)C1 ZINC000571401974 294428395 /nfs/dbraw/zinc/42/83/95/294428395.db2.gz CVNJJFGPHYIGFN-UHFFFAOYSA-N 2 0 279.428 1.509 10 0 CDAERP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)C(=O)NC(C)(C)C ZINC000572630472 294663039 /nfs/dbraw/zinc/66/30/39/294663039.db2.gz URFLCZWFZFOHQV-SRVKXCTJSA-N 2 0 255.406 1.267 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000085374025 295314199 /nfs/dbraw/zinc/31/41/99/295314199.db2.gz XGHPMGOOBFEBNQ-ZIAGYGMSSA-N 2 0 265.401 1.201 10 0 CDAERP O=C(C1CC[NH+](C2CC2)CC1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000335424765 295448021 /nfs/dbraw/zinc/44/80/21/295448021.db2.gz IBOLHWPCYCESBO-QGZVFWFLSA-N 2 0 291.439 1.463 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000418602378 297105803 /nfs/dbraw/zinc/10/58/03/297105803.db2.gz VNHXSIMFTYTWAN-KBXIAJHMSA-N 2 0 294.443 1.110 10 0 CDAERP [NH3+]C1CCC(NC(=O)c2ccc3c(c2)CC[NH2+]CC3)CC1 ZINC000336601371 303361861 /nfs/dbraw/zinc/36/18/61/303361861.db2.gz RGNHLIGNNJIIPX-UHFFFAOYSA-N 2 0 287.407 1.375 10 0 CDAERP O=C(C[C@@H]1CC[NH2+]C1)N1CCC([NH+]2CCCC2)CC1 ZINC000089745831 303643639 /nfs/dbraw/zinc/64/36/39/303643639.db2.gz PSSMGFKGTVCWJJ-ZDUSSCGKSA-N 2 0 265.401 1.073 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH+](C)CC=C(C)C ZINC001669916388 1173632329 /nfs/dbraw/zinc/63/23/29/1173632329.db2.gz YPKKJJJYGRSGJG-AWEZNQCLSA-N 2 0 269.433 1.731 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000563875343 316386993 /nfs/dbraw/zinc/38/69/93/316386993.db2.gz MAOCWLPORPPGJS-BYNSBNAKSA-N 2 0 294.443 1.145 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000575860173 317026055 /nfs/dbraw/zinc/02/60/55/317026055.db2.gz VHPAJDVYXYVSBN-RBSFLKMASA-N 2 0 255.450 1.940 10 0 CDAERP COC(=O)CC1([NH2+]CCC[NH+]2CCCCC2)CC1 ZINC000576521514 317155461 /nfs/dbraw/zinc/15/54/61/317155461.db2.gz OSDVDYPYWAQWHU-UHFFFAOYSA-N 2 0 254.374 1.548 10 0 CDAERP CCOC(=O)CCCC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000576584944 317167685 /nfs/dbraw/zinc/16/76/85/317167685.db2.gz VFEXWNVOOIOODO-OAHLLOKOSA-N 2 0 268.401 1.795 10 0 CDAERP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)[C@@H]1CCCCC[NH2+]1 ZINC000577208338 317285821 /nfs/dbraw/zinc/28/58/21/317285821.db2.gz UBNCNQBTVKOMCC-AWEZNQCLSA-N 2 0 291.370 1.942 10 0 CDAERP [NH3+]C[C@H](NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000577368025 317314863 /nfs/dbraw/zinc/31/48/63/317314863.db2.gz MWQJUDCLHXXDIU-CABCVRRESA-N 2 0 294.443 1.430 10 0 CDAERP Cc1ncc(C[NH2+]CCN2CCCC[C@@H]2C)n1C ZINC000577508928 317345438 /nfs/dbraw/zinc/34/54/38/317345438.db2.gz NUNWOAUGGCFBRQ-LBPRGKRZSA-N 2 0 250.390 1.693 10 0 CDAERP OC[C@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)c1cccnc1 ZINC000577731315 317391431 /nfs/dbraw/zinc/39/14/31/317391431.db2.gz PVZYAUZXMHWFLQ-INIZCTEOSA-N 2 0 289.423 1.622 10 0 CDAERP CC(C)[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001672337877 1173767673 /nfs/dbraw/zinc/76/76/73/1173767673.db2.gz BKLSDELDSMEALP-KGLIPLIRSA-N 2 0 269.433 1.419 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CC2CCC2)C1 ZINC001672761741 1173796813 /nfs/dbraw/zinc/79/68/13/1173796813.db2.gz OTKPKVCHIJBCHO-HOTGVXAUSA-N 2 0 293.455 1.709 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N(C)CCC[NH+](C)C)CC1 ZINC000185835184 323398554 /nfs/dbraw/zinc/39/85/54/323398554.db2.gz XTUZOTNLVJFZMQ-UHFFFAOYSA-N 2 0 298.475 1.702 10 0 CDAERP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@H]1CC[NH2+][C@H]1C)CC2 ZINC000579829717 324292954 /nfs/dbraw/zinc/29/29/54/324292954.db2.gz YXKTYOXETUVVKS-XGUBFFRZSA-N 2 0 279.428 1.458 10 0 CDAERP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)COC(C)C)CC1 ZINC000584465202 329496197 /nfs/dbraw/zinc/49/61/97/329496197.db2.gz XOCMELUXXRLZFJ-OAHLLOKOSA-N 2 0 272.433 1.484 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCCC[C@@H]1CCC[NH+]1CCF ZINC001690919068 1175607577 /nfs/dbraw/zinc/60/75/77/1175607577.db2.gz BOYFLPIUEAHIBX-CQSZACIVSA-N 2 0 287.423 1.657 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CCC[C@@H](C)O)[NH+](C)C ZINC001482058819 1159971888 /nfs/dbraw/zinc/97/18/88/1159971888.db2.gz YQMOHIMGVMRNIA-RBSFLKMASA-N 2 0 299.459 1.068 10 0 CDAERP CC(C)C[C@H](CNC(=O)[C@@H]1CCCC[C@H]1[NH3+])[NH+](C)C ZINC000251369863 1160190925 /nfs/dbraw/zinc/19/09/25/1160190925.db2.gz FSXBPCKJWSPXGV-MGPQQGTHSA-N 2 0 269.433 1.596 10 0 CDAERP CC(C)C[NH2+]C[C@@H](CC(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001482396111 1160201455 /nfs/dbraw/zinc/20/14/55/1160201455.db2.gz IRKKVQPGQOABNF-OAHLLOKOSA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)OCC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001482548922 1160378163 /nfs/dbraw/zinc/37/81/63/1160378163.db2.gz UWQVRSMWOLFTFL-LSDHHAIUSA-N 2 0 299.459 1.236 10 0 CDAERP CO[C@@H](C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+])C1CCC1 ZINC000662270968 482223057 /nfs/dbraw/zinc/22/30/57/482223057.db2.gz CUANQPATOACUQJ-GJZGRUSLSA-N 2 0 297.443 1.121 10 0 CDAERP NC[C@@H]([NH2+]C[C@H]1CCC2(C[NH2+]C2)O1)C1CCCCC1 ZINC000662276647 482237178 /nfs/dbraw/zinc/23/71/78/482237178.db2.gz KUNBXRMEQGUIIP-ZIAGYGMSSA-N 2 0 267.417 1.005 10 0 CDAERP C[NH2+][C@H](C)C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000398126934 482245426 /nfs/dbraw/zinc/24/54/26/482245426.db2.gz IGUCYVAUJQYXID-UMVBOHGHSA-N 2 0 275.396 1.374 10 0 CDAERP CC[NH+](CC)CC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000653184190 482482874 /nfs/dbraw/zinc/48/28/74/482482874.db2.gz NNJXXMALMNVHEW-RRFJBIMHSA-N 2 0 297.443 1.073 10 0 CDAERP C[NH2+][C@H](C)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000397497100 482503220 /nfs/dbraw/zinc/50/32/20/482503220.db2.gz REPYXULYDLYLFA-CQSZACIVSA-N 2 0 289.423 1.623 10 0 CDAERP OC1CCC(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000227637762 482507444 /nfs/dbraw/zinc/50/74/44/482507444.db2.gz QRHIHCNPYPAJNF-PIOWNMBXSA-N 2 0 252.402 1.754 10 0 CDAERP CC[C@@H]1CN(C(=O)[C@H](C[NH3+])c2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000669516136 482538479 /nfs/dbraw/zinc/53/84/79/482538479.db2.gz UQMGHEXWZREPPU-DFBGVHRSSA-N 2 0 293.386 1.454 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000669520130 482555446 /nfs/dbraw/zinc/55/54/46/482555446.db2.gz DWSHCAYHXKBQTF-LAEOZQHASA-N 2 0 255.749 1.192 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000417943855 482644740 /nfs/dbraw/zinc/64/47/40/482644740.db2.gz VLIOXQMFDWBRBR-SHWKFHJASA-N 2 0 296.459 1.676 10 0 CDAERP CO[C@H]1CCC[C@@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)C1 ZINC000684366667 482775107 /nfs/dbraw/zinc/77/51/07/482775107.db2.gz GPHJCAIZCKFROV-CVEARBPZSA-N 2 0 283.460 1.560 10 0 CDAERP CO[C@@H]1CCC[C@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC000684380418 482782718 /nfs/dbraw/zinc/78/27/18/482782718.db2.gz MYNFTFOXDADXTK-ARFHVFGLSA-N 2 0 284.444 1.771 10 0 CDAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000094459798 482789388 /nfs/dbraw/zinc/78/93/88/482789388.db2.gz GTMUYWIKZSLANU-NUEKZKHPSA-N 2 0 287.407 1.252 10 0 CDAERP CC[C@H](C(=O)N[C@@H]1CCC[N@H+](C)C1)[NH+](CC)CC ZINC000673662836 482805399 /nfs/dbraw/zinc/80/53/99/482805399.db2.gz STYDOSRBEREXQF-CHWSQXEVSA-N 2 0 255.406 1.317 10 0 CDAERP C[NH2+]CCN(C)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000417660631 482819209 /nfs/dbraw/zinc/81/92/09/482819209.db2.gz NNYMPNBPISAAED-UHFFFAOYSA-N 2 0 296.390 1.248 10 0 CDAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H](C(F)F)C2)CC1 ZINC000669691677 482931183 /nfs/dbraw/zinc/93/11/83/482931183.db2.gz AACHWYRSCGJCOQ-AWEZNQCLSA-N 2 0 289.414 1.990 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000666879633 482960147 /nfs/dbraw/zinc/96/01/47/482960147.db2.gz MQLHHHFIMRQUBM-PBHICJAKSA-N 3 0 291.439 1.715 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1CCC[C@H]1C[NH3+])C1CCCC1 ZINC000250022934 483012190 /nfs/dbraw/zinc/01/21/90/483012190.db2.gz YRYYYCZKKDOWKC-JSGCOSHPSA-N 2 0 267.417 1.352 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000250330255 483016585 /nfs/dbraw/zinc/01/65/85/483016585.db2.gz DHTBMLRBOSJBCK-HRCADAONSA-N 2 0 289.423 1.781 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000251319182 483039732 /nfs/dbraw/zinc/03/97/32/483039732.db2.gz LVPCTNYJLOVVDG-QWHCGFSZSA-N 2 0 253.390 1.057 10 0 CDAERP C[N@@H+]1CCN(CC[NH2+][C@@H]2CO[C@@H](C3CC3)C2)CC1(C)C ZINC000668103359 483071436 /nfs/dbraw/zinc/07/14/36/483071436.db2.gz JBOKKUOJAMVYDP-LSDHHAIUSA-N 2 0 281.444 1.170 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089457929 483080999 /nfs/dbraw/zinc/08/09/99/483080999.db2.gz HZBOMLMQIOSSFC-HOTGVXAUSA-N 2 0 295.471 1.942 10 0 CDAERP C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089460082 483085077 /nfs/dbraw/zinc/08/50/77/483085077.db2.gz QOHXJFXPLQMTMD-XJKSGUPXSA-N 2 0 289.423 1.739 10 0 CDAERP C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)C[C@@H](O)C1CC1 ZINC000668167144 483099424 /nfs/dbraw/zinc/09/94/24/483099424.db2.gz UULBEUSQSVAVGW-OAHLLOKOSA-N 2 0 272.352 1.470 10 0 CDAERP C[NH+](C)CCOc1ccc(C[N@H+](C)CC2(CO)CC2)cc1 ZINC000682169103 483161988 /nfs/dbraw/zinc/16/19/88/483161988.db2.gz NYHJLHZUYUAONY-UHFFFAOYSA-N 2 0 292.423 1.831 10 0 CDAERP C[N@@H+]1CCC[C@@H](NC(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000221716008 483345390 /nfs/dbraw/zinc/34/53/90/483345390.db2.gz DRSYCJNYRGNSGI-HUUCEWRRSA-N 2 0 275.396 1.677 10 0 CDAERP c1nc(C2CC[NH+](Cc3cnn4c3CCC4)CC2)c[nH]1 ZINC000667642532 483362506 /nfs/dbraw/zinc/36/25/06/483362506.db2.gz BURZCGALIMJKAQ-UHFFFAOYSA-N 2 0 271.368 1.932 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000136408102 483402437 /nfs/dbraw/zinc/40/24/37/483402437.db2.gz BQJUHIKLMLAPNU-CYBMUJFWSA-N 2 0 255.406 1.160 10 0 CDAERP C[NH2+]Cc1cccc(NC(=O)N[C@@H]2CCC[N@H+](C)C2)c1 ZINC000667785829 483426008 /nfs/dbraw/zinc/42/60/08/483426008.db2.gz VDHPJYWRYQFCBF-CQSZACIVSA-N 2 0 276.384 1.622 10 0 CDAERP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000667869258 483465419 /nfs/dbraw/zinc/46/54/19/483465419.db2.gz VIIYTQJWVXVXJN-HRCADAONSA-N 2 0 282.428 1.380 10 0 CDAERP CC(C)[NH2+]CC1(C[N@H+](CCO)C2CC2)CCOCC1 ZINC000052198052 519719942 /nfs/dbraw/zinc/71/99/42/519719942.db2.gz WHPDYANFTPBMML-UHFFFAOYSA-N 2 0 270.417 1.238 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCN(CC[N@H+](C)C(C)C)C1 ZINC000054127372 519744722 /nfs/dbraw/zinc/74/47/22/519744722.db2.gz SKTCJZHFALCUHL-HNNXBMFYSA-N 2 0 255.450 1.894 10 0 CDAERP CCC[NH2+]CC1(C[N@@H+]2CCCC[C@H]2CO)CCOCC1 ZINC000052183585 519909487 /nfs/dbraw/zinc/90/94/87/519909487.db2.gz FSYGQJRHWZXCIW-HNNXBMFYSA-N 2 0 284.444 1.630 10 0 CDAERP CCC[NH2+]CCCCC[NH+](CCOC)CCOC ZINC000052571467 519912403 /nfs/dbraw/zinc/91/24/03/519912403.db2.gz OMJSQOYIDZEQTQ-UHFFFAOYSA-N 2 0 260.422 1.751 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@@H](COCC[C@@H]2CCC[N@@H+]2C)O1 ZINC000052673626 519953733 /nfs/dbraw/zinc/95/37/33/519953733.db2.gz KLICWLGUOGZLSZ-KKUMJFAQSA-N 2 0 270.417 1.644 10 0 CDAERP CCC[NH2+][C@@](C)(C[C@H](C)[NH+]1CCC(OCC)CC1)C(N)=O ZINC000068628293 520043724 /nfs/dbraw/zinc/04/37/24/520043724.db2.gz MWYUEQDZPKOUQI-BBRMVZONSA-N 2 0 299.459 1.510 10 0 CDAERP CC(C)[NH+]1CCC([C@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001486449557 1161455202 /nfs/dbraw/zinc/45/52/02/1161455202.db2.gz YDHLVEOSVIJNNG-CABCVRRESA-N 2 0 295.471 1.953 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1CC[NH2+]Cc1ccco1 ZINC000061655182 521838415 /nfs/dbraw/zinc/83/84/15/521838415.db2.gz AUFBSUVHSPJBKY-ZDUSSCGKSA-N 2 0 251.374 1.395 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1Cc1[nH+]c(NN)ccc1Cl ZINC000061653317 521870755 /nfs/dbraw/zinc/87/07/55/521870755.db2.gz UGPHZKCCODWJSE-SNVBAGLBSA-N 2 0 283.807 1.547 10 0 CDAERP CC[NH+](CC)CCN[C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261846687 535540940 /nfs/dbraw/zinc/54/09/40/535540940.db2.gz AVKSIYCBLHDNGG-ZNMIVQPWSA-N 2 0 269.433 1.075 10 0 CDAERP CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001732709267 1183094087 /nfs/dbraw/zinc/09/40/87/1183094087.db2.gz UWOBQYIPPBCAKA-UONOGXRCSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@@H](CC[NH2+]CC1CCC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001732725133 1183100743 /nfs/dbraw/zinc/10/07/43/1183100743.db2.gz XPAMHNLEOVKMOI-ZDUSSCGKSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)(C)[NH+]1CCN(C(=O)C[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000055141108 518710395 /nfs/dbraw/zinc/71/03/95/518710395.db2.gz ZPAPXJAHVMMBAP-ZIAGYGMSSA-N 2 0 281.444 1.837 10 0 CDAERP CC(C)(C)[NH2+]CC1(C[NH+]2CCC(O)CC2)CCOCC1 ZINC000052180594 518752877 /nfs/dbraw/zinc/75/28/77/518752877.db2.gz CBTFIXZCXGFOAT-UHFFFAOYSA-N 2 0 284.444 1.628 10 0 CDAERP CC(C)(C)[NH2+]C[C@H]1CC[C@@H](C[NH+]2CCSCC2)O1 ZINC000052443295 518763277 /nfs/dbraw/zinc/76/32/77/518763277.db2.gz RYJFCVNFIFRLGJ-OLZOCXBDSA-N 2 0 272.458 1.971 10 0 CDAERP CC(C)CC[NH2+]CCN1CC[NH+](CC(C)C)CC1 ZINC000055075993 519662831 /nfs/dbraw/zinc/66/28/31/519662831.db2.gz CDCUGVSCGLWBSI-UHFFFAOYSA-N 2 0 255.450 1.896 10 0 CDAERP CC(C)[NH+]1CCN(C(=O)[C@H]2C[C@H]([NH3+])CC[C@@H]2C)CC1 ZINC000055129243 519680538 /nfs/dbraw/zinc/68/05/38/519680538.db2.gz MXWUXANTMWZMNH-MJBXVCDLSA-N 2 0 267.417 1.303 10 0 CDAERP CC(C)[NH+]1CCN([C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000069265944 519683879 /nfs/dbraw/zinc/68/38/79/519683879.db2.gz PBYUFGRDIKQHAS-INIZCTEOSA-N 2 0 259.397 1.857 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)[C@@H]1CCC[C@H]([NH3+])[C@@H]1C ZINC000055134747 519715545 /nfs/dbraw/zinc/71/55/45/519715545.db2.gz ZUMYIOFOKIFJAM-KFWWJZLASA-N 2 0 283.460 1.796 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000061612224 519715872 /nfs/dbraw/zinc/71/58/72/519715872.db2.gz NJCDVHFHLTZWJF-INIZCTEOSA-N 2 0 291.439 1.775 10 0 CDAERP CC(C)C[NH+]1CCN(C[C@H]2CC[C@H](C[NH2+]C3CC3)O2)CC1 ZINC000055082829 519726420 /nfs/dbraw/zinc/72/64/20/519726420.db2.gz RJSHPNLCELMZJA-IAGOWNOFSA-N 2 0 295.471 1.560 10 0 CDAERP CC(C)C[NH+]1CCN(Cc2cccc(C(N)=[NH2+])c2)CC1 ZINC000055079676 519726929 /nfs/dbraw/zinc/72/69/29/519726929.db2.gz NAJXLXYSAKWLEB-UHFFFAOYSA-N 2 0 274.412 1.744 10 0 CDAERP CC(C)[NH2+][C@](C)(CO)CCCC[N@@H+]1CCC[C@@H]1CN(C)C ZINC000070335124 519739544 /nfs/dbraw/zinc/73/95/44/519739544.db2.gz VAWFUPXUCMNZSE-SJORKVTESA-N 2 0 299.503 1.932 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NS(=O)(=O)c1ccccc1C[NH3+] ZINC000049204838 519793850 /nfs/dbraw/zinc/79/38/50/519793850.db2.gz ZNNRSMRJXQLPBF-CYBMUJFWSA-N 2 0 299.440 1.010 10 0 CDAERP CC(C)[C@@H]1CC[C@H](O)[C@H]([NH+]2CCN(CC[NH+](C)C)CC2)C1 ZINC000061652687 519803519 /nfs/dbraw/zinc/80/35/19/519803519.db2.gz BRVXNLMYYUILQK-ZACQAIPSSA-N 2 0 297.487 1.351 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)CCCCCC[NH3+] ZINC000049221038 519814071 /nfs/dbraw/zinc/81/40/71/519814071.db2.gz PGYJIYREPXIBJC-ZDUSSCGKSA-N 2 0 257.422 1.598 10 0 CDAERP CCC[NH+]1CCN(CC2(C[NH2+]CC)CCOCC2)CC1 ZINC000052180601 519857625 /nfs/dbraw/zinc/85/76/25/519857625.db2.gz QSILKRGCPGTXTH-UHFFFAOYSA-N 2 0 283.460 1.420 10 0 CDAERP CCC[NH+]1CCN(C[C@H]2CC[C@H](C[NH2+]C(C)(C)C)O2)CC1 ZINC000052422048 519858749 /nfs/dbraw/zinc/85/87/49/519858749.db2.gz UFDLTEZQEOHTKW-HZPDHXFCSA-N 2 0 297.487 1.950 10 0 CDAERP CC[NH2+]C[C@@H](C(C)C)N1CC[NH+](CC(C)C)CC1 ZINC000055083076 519931773 /nfs/dbraw/zinc/93/17/73/519931773.db2.gz GAOMUVVCJFMTIG-HNNXBMFYSA-N 2 0 255.450 1.894 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@H](COCCC[NH+](C)C)O1 ZINC000052672633 519940298 /nfs/dbraw/zinc/94/02/98/519940298.db2.gz NINOQHBTHLNVGK-ZIAGYGMSSA-N 2 0 258.406 1.502 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@@H](C[NH+]2CCC(OCC)CC2)O1 ZINC000052484081 519952664 /nfs/dbraw/zinc/95/26/64/519952664.db2.gz JJCRQXWTWMJFNM-GJZGRUSLSA-N 2 0 270.417 1.644 10 0 CDAERP CCC[NH2+][C@@H]1CCC[C@@H]1CN1CCN(CC[NH+](C)C)CC1 ZINC000061653770 520020725 /nfs/dbraw/zinc/02/07/25/520020725.db2.gz BHGUINGFDBCQOM-IAGOWNOFSA-N 2 0 296.503 1.334 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000061268940 520063227 /nfs/dbraw/zinc/06/32/27/520063227.db2.gz WNBNXKBUPWUBKV-KBPBESRZSA-N 2 0 269.433 1.755 10 0 CDAERP CCCCCC[C@@H](C[NH3+])N1CCN(CC[NH+](C)C)CC1 ZINC000061643216 520123555 /nfs/dbraw/zinc/12/35/55/520123555.db2.gz KJSZCRBNZPVPES-INIZCTEOSA-N 2 0 284.492 1.463 10 0 CDAERP CC[NH2+][C@H](CN1CCC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000069075270 520195829 /nfs/dbraw/zinc/19/58/29/520195829.db2.gz HHCVKFYUPXHNKN-HUUCEWRRSA-N 2 0 251.418 1.545 10 0 CDAERP CCO[C@@H](C[NH3+])CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000062740863 520309935 /nfs/dbraw/zinc/30/99/35/520309935.db2.gz NQBUZJMEABEVSV-QGZVFWFLSA-N 2 0 291.439 1.558 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)C2(C)CC[NH2+]CC2)CC1 ZINC000062839999 520570180 /nfs/dbraw/zinc/57/01/80/520570180.db2.gz BQMXDXJUVWZBME-UHFFFAOYSA-N 2 0 281.444 1.757 10 0 CDAERP CC[NH+](CC)CC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000236843004 520580069 /nfs/dbraw/zinc/58/00/69/520580069.db2.gz QMYAIMQDTMOWGN-CYBMUJFWSA-N 2 0 255.406 1.352 10 0 CDAERP CC[NH+](CC)CCNC(=O)[C@@H]1CCC[C@@H](CC[NH3+])C1 ZINC000055145565 520678115 /nfs/dbraw/zinc/67/81/15/520678115.db2.gz YOWFEMBOQWMWTH-UONOGXRCSA-N 2 0 269.433 1.600 10 0 CDAERP CC[NH+](CC)CCNC(=O)[C@H]1CCC[C@H](C)[C@@H]1[NH3+] ZINC000055122988 520680782 /nfs/dbraw/zinc/68/07/82/520680782.db2.gz UNTSUMFSWQYHEQ-AVGNSLFASA-N 2 0 255.406 1.208 10 0 CDAERP CC[NH+](CC)CCNC(=O)c1c[nH+]c(NN)c(Cl)c1 ZINC000051096010 520684402 /nfs/dbraw/zinc/68/44/02/520684402.db2.gz UMLYPPALJLCJHS-UHFFFAOYSA-N 2 0 285.779 1.092 10 0 CDAERP CC[NH+](CC)CCOC[C@H]1CC[C@H](C[NH2+]C(C)C)O1 ZINC000052672017 520694200 /nfs/dbraw/zinc/69/42/00/520694200.db2.gz SXVAKQWJPYWOBI-HUUCEWRRSA-N 2 0 272.433 1.890 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050951994 520714050 /nfs/dbraw/zinc/71/40/50/520714050.db2.gz MEQHJUGUYMEQFM-KGLIPLIRSA-N 2 0 269.433 1.755 10 0 CDAERP CCCCOCC[N@@H+]1CCCN([C@@H](CC)CC[NH3+])CC1 ZINC000049261695 520762292 /nfs/dbraw/zinc/76/22/92/520762292.db2.gz UTNQPZTXSDBRIH-INIZCTEOSA-N 2 0 285.476 1.938 10 0 CDAERP CCC[C@@H](O)[C@@H](CC)[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061652700 520809287 /nfs/dbraw/zinc/80/92/87/520809287.db2.gz JVVAUHDNHWNWBZ-HUUCEWRRSA-N 2 0 271.449 1.105 10 0 CDAERP CC1CC[NH+](CCNC(=O)[C@H]2CCC[C@H](C)[C@@H]2[NH3+])CC1 ZINC000055136661 521014202 /nfs/dbraw/zinc/01/42/02/521014202.db2.gz PNYZZSUTPKMILO-KKUMJFAQSA-N 2 0 281.444 1.598 10 0 CDAERP CC[N@H+](CCC[C@](C)([NH2+]C(C)C)C(N)=O)CC1CC1 ZINC000069239593 521043765 /nfs/dbraw/zinc/04/37/65/521043765.db2.gz PSTUKXKGPKFZSZ-HNNXBMFYSA-N 2 0 269.433 1.741 10 0 CDAERP CCN1CCC([N@H+](C)CCC[C@H]2CCC[NH2+]2)CC1 ZINC000052764539 521560760 /nfs/dbraw/zinc/56/07/60/521560760.db2.gz ZBJHNGHDRIYCKG-CQSZACIVSA-N 2 0 253.434 1.935 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000055136920 521617481 /nfs/dbraw/zinc/61/74/81/521617481.db2.gz MVWUXDCLJVJMRM-MJBXVCDLSA-N 2 0 267.417 1.495 10 0 CDAERP CCC1(C(=O)NCC[NH+]2CCCCC2)CC[NH2+]CC1 ZINC000062849988 521667031 /nfs/dbraw/zinc/66/70/31/521667031.db2.gz FSLQSCSTWOPPFP-UHFFFAOYSA-N 2 0 267.417 1.368 10 0 CDAERP C[NH+](C)CCN1CCN(CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000061652486 521765281 /nfs/dbraw/zinc/76/52/81/521765281.db2.gz YATVMRMNEVCYAT-KRWDZBQOSA-N 2 0 290.455 1.256 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000061644927 521831496 /nfs/dbraw/zinc/83/14/96/521831496.db2.gz FLAXLICTZPSQSO-HOCLYGCPSA-N 2 0 287.407 1.426 10 0 CDAERP CN(C)C[C@H]1CCC[N@@H+]1C[C@@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1 ZINC000061654521 521867334 /nfs/dbraw/zinc/86/73/34/521867334.db2.gz VOSLJUCOUWJPQO-PMPSAXMXSA-N 2 0 297.487 1.948 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1[C@@H](C[NH3+])c1ccc(F)c(F)c1 ZINC000061643082 521870595 /nfs/dbraw/zinc/87/05/95/521870595.db2.gz COCPESQSUNJTTP-DOMZBBRYSA-N 2 0 283.366 1.991 10 0 CDAERP C[NH2+]Cc1c(N2CCC[C@@H]2C[NH+](C)C)nc2ccccn21 ZINC000061646082 522100858 /nfs/dbraw/zinc/10/08/58/522100858.db2.gz UMTDOBPQVCPSDF-CYBMUJFWSA-N 2 0 287.411 1.584 10 0 CDAERP C[NH2+]Cc1coc(CN2CC[NH+](C(C)C)CC2)c1 ZINC000052480080 522148872 /nfs/dbraw/zinc/14/88/72/522148872.db2.gz SFPVYWDDACUDMM-UHFFFAOYSA-N 2 0 251.374 1.525 10 0 CDAERP C[NH2+]Cc1occc1CN1CC[NH+](C(C)C)CC1 ZINC000052480045 522164011 /nfs/dbraw/zinc/16/40/11/522164011.db2.gz SKHJMLOFISCNOT-UHFFFAOYSA-N 2 0 251.374 1.525 10 0 CDAERP COC[C@@H](O)C[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000069054198 522416604 /nfs/dbraw/zinc/41/66/04/522416604.db2.gz SQVVSFASMJHJAJ-AWEZNQCLSA-N 2 0 258.406 1.238 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055138634 523796087 /nfs/dbraw/zinc/79/60/87/523796087.db2.gz GTRPUTAFVBWDDC-MJBXVCDLSA-N 2 0 267.417 1.495 10 0 CDAERP C[N@@H+]1CCCN(c2cc(C(N)=[NH2+])c3ccccc3n2)CC1 ZINC000068797622 523811778 /nfs/dbraw/zinc/81/17/78/523811778.db2.gz XWBSEQCBIWNGRN-UHFFFAOYSA-N 2 0 283.379 1.661 10 0 CDAERP C[NH+]1CCN(CC[NH2+][C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000068267151 523903104 /nfs/dbraw/zinc/90/31/04/523903104.db2.gz SJOWBHOBWMBQHM-CVEARBPZSA-N 2 0 259.397 1.380 10 0 CDAERP CC[C@H](C)[N@H+](C)CCn1cc(C[NH2+]CC(C)C)nn1 ZINC000052444181 523923355 /nfs/dbraw/zinc/92/33/55/523923355.db2.gz CWMATLADBUJTCZ-ZDUSSCGKSA-N 2 0 267.421 1.754 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000055077743 523949990 /nfs/dbraw/zinc/94/99/90/523949990.db2.gz SYKIAAJXGDAXQZ-QWHCGFSZSA-N 2 0 253.390 1.071 10 0 CDAERP CC[C@H](C)[NH+]1CCN(Cc2ccc(C(N)=[NH2+])cc2)CC1 ZINC000055067233 523956770 /nfs/dbraw/zinc/95/67/70/523956770.db2.gz WAQZWTHPBHGVNG-ZDUSSCGKSA-N 2 0 274.412 1.887 10 0 CDAERP CC[C@H](C)[NH+]1CCN(c2ccnc(C[NH2+]C)c2)CC1 ZINC000055073519 523960275 /nfs/dbraw/zinc/96/02/75/523960275.db2.gz UJZDWCFOXPHAOK-ZDUSSCGKSA-N 2 0 262.401 1.722 10 0 CDAERP C[NH+](C)C(C)(C)CNC(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050949941 524032676 /nfs/dbraw/zinc/03/26/76/524032676.db2.gz YXTWJKBIANPKTP-GFCCVEGCSA-N 2 0 255.406 1.365 10 0 CDAERP C[NH+](C)C1CCN(C(=O)C2CCC(C[NH3+])CC2)CC1 ZINC000055147415 524038325 /nfs/dbraw/zinc/03/83/25/524038325.db2.gz ZEKPHYHZWZOODZ-UHFFFAOYSA-N 2 0 267.417 1.304 10 0 CDAERP C[NH+](C)CC(C)(C)CNC(=O)CC1CCC([NH3+])CC1 ZINC000055125294 524045376 /nfs/dbraw/zinc/04/53/76/524045376.db2.gz OYIOCYKMRVEQPB-UHFFFAOYSA-N 2 0 269.433 1.598 10 0 CDAERP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1CCC[C@H](CC[NH3+])C1 ZINC000055146281 524045639 /nfs/dbraw/zinc/04/56/39/524045639.db2.gz YBOUPTUMSWVKQO-ZIAGYGMSSA-N 2 0 283.460 1.846 10 0 CDAERP C[NH+](C)CC1CCN(C(=O)C2CCC(C[NH3+])CC2)CC1 ZINC000055161517 524048722 /nfs/dbraw/zinc/04/87/22/524048722.db2.gz AHQSHCKARRTGIB-UHFFFAOYSA-N 2 0 281.444 1.552 10 0 CDAERP Cc1ccc(C)c(C[N@@H+]2CCCN(CC[NH3+])CC2)c1 ZINC000049256663 524101541 /nfs/dbraw/zinc/10/15/41/524101541.db2.gz BSHNOHUDSUWFHS-UHFFFAOYSA-N 2 0 261.413 1.770 10 0 CDAERP C[C@H](C[NH2+]Cc1ccco1)N1CCC[C@@H]1C[NH+](C)C ZINC000061655054 524489153 /nfs/dbraw/zinc/48/91/53/524489153.db2.gz ZZQQZFBIMRSRAV-ZIAGYGMSSA-N 2 0 265.401 1.784 10 0 CDAERP C[C@@H](C[NH2+]C1CC1)CN1CC[NH+](C2CCCC2)CC1 ZINC000052573481 524733718 /nfs/dbraw/zinc/73/37/18/524733718.db2.gz UWELKZGAFHGALE-AWEZNQCLSA-N 2 0 265.445 1.935 10 0 CDAERP COc1ccccc1[C@@H]([NH3+])CN1CC[NH+](CC(C)C)CC1 ZINC000055079115 524735329 /nfs/dbraw/zinc/73/53/29/524735329.db2.gz SONRBCSFEYEZSD-INIZCTEOSA-N 2 0 291.439 1.969 10 0 CDAERP C[C@H]1C[C@@H]([NH3+])CC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC000055138684 524790528 /nfs/dbraw/zinc/79/05/28/524790528.db2.gz PYOMFYYEQOEXEF-XUXIUFHCSA-N 2 0 267.417 1.350 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000193318757 524994996 /nfs/dbraw/zinc/99/49/96/524994996.db2.gz CDAAYFVDFKPEQC-OLZOCXBDSA-N 2 0 253.390 1.058 10 0 CDAERP C[C@]([NH3+])(CCC[NH+]1CCC2(CCCC2)CC1)C(N)=O ZINC000062956661 525148377 /nfs/dbraw/zinc/14/83/77/525148377.db2.gz IUMQABYSHMFXHL-AWEZNQCLSA-N 2 0 267.417 1.626 10 0 CDAERP COc1ccc([C@@H](C[NH3+])N2CCC[N@H+](C)CC2)cc1C ZINC000050596510 525178849 /nfs/dbraw/zinc/17/88/49/525178849.db2.gz LEMFKLOUBQVNFU-OAHLLOKOSA-N 2 0 277.412 1.641 10 0 CDAERP COc1ccc([C@H](C[NH3+])N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000062964093 525351303 /nfs/dbraw/zinc/35/13/03/525351303.db2.gz OVZYFZOJOGBRGO-HIFRSBDPSA-N 2 0 263.385 1.331 10 0 CDAERP O=C(CC[C@H]1CCCC[NH2+]1)NCC[NH+]1CCCCC1 ZINC000050951391 526564687 /nfs/dbraw/zinc/56/46/87/526564687.db2.gz XSACDOUSJPIQKR-CQSZACIVSA-N 2 0 267.417 1.511 10 0 CDAERP Cc1nc(N2CCC([NH+](C)C)CC2)sc1C[NH3+] ZINC000054997445 526963111 /nfs/dbraw/zinc/96/31/11/526963111.db2.gz DAZGLCSXOCRIML-UHFFFAOYSA-N 2 0 254.403 1.441 10 0 CDAERP [NH3+]Cc1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)ccn1 ZINC000068750537 527247824 /nfs/dbraw/zinc/24/78/24/527247824.db2.gz ZBWUZWBTOSQDRL-UHFFFAOYSA-N 3 0 288.439 1.848 10 0 CDAERP [NH3+]Cc1ccc(NC(=O)CC[N@@H+]2CCCOCC2)cc1 ZINC000061914949 527255951 /nfs/dbraw/zinc/25/59/51/527255951.db2.gz NWUVEQKLRFCCEY-UHFFFAOYSA-N 2 0 277.368 1.196 10 0 CDAERP O[C@@H](C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)C(F)(F)F ZINC000068890084 527646832 /nfs/dbraw/zinc/64/68/32/527646832.db2.gz WMTLYVZQNLECJJ-MNOVXSKESA-N 2 0 266.307 1.374 10 0 CDAERP CC[NH+]1CCC(NC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000236855792 535472717 /nfs/dbraw/zinc/47/27/17/535472717.db2.gz OSQHVZJIMQYTBU-CABCVRRESA-N 2 0 281.444 1.885 10 0 CDAERP CC[NH+](CC)C[C@H]1CCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000261772791 535597867 /nfs/dbraw/zinc/59/78/67/535597867.db2.gz MUUXOOWFJYWTBR-HUUCEWRRSA-N 2 0 253.434 1.650 10 0 CDAERP C[NH+](C)CCCNC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000244320178 535835589 /nfs/dbraw/zinc/83/55/89/535835589.db2.gz XHXMZKMZZORELW-UHFFFAOYSA-N 2 0 289.423 1.503 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1COc2ccccc21 ZINC000423121392 536595920 /nfs/dbraw/zinc/59/59/20/536595920.db2.gz IPNHZWQPMHRIDX-QWHCGFSZSA-N 2 0 264.369 1.506 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccccc1N(C)C ZINC000422913221 536595939 /nfs/dbraw/zinc/59/59/39/536595939.db2.gz PMMGFRUIZYKYET-CQSZACIVSA-N 2 0 265.401 1.596 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H](C1CCCCC1)N(C)C ZINC000422888379 536850853 /nfs/dbraw/zinc/85/08/53/536850853.db2.gz CNAVHWRUHQPGHO-JKSUJKDBSA-N 2 0 285.476 1.840 10 0 CDAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccoc1 ZINC000769945142 575400948 /nfs/dbraw/zinc/40/09/48/575400948.db2.gz QPWDPCJRBVOXDB-CYBMUJFWSA-N 2 0 251.374 1.395 10 0 CDAERP C[NH+](C)CCOC1CC[NH+](Cc2ccoc2)CC1 ZINC000769384893 576350757 /nfs/dbraw/zinc/35/07/57/576350757.db2.gz YHEMTPOYGJDRPG-UHFFFAOYSA-N 2 0 252.358 1.822 10 0 CDAERP C[N@H+](CCCF)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001689834668 1175279219 /nfs/dbraw/zinc/27/92/19/1175279219.db2.gz SNSWRGRGWAIHSE-UHFFFAOYSA-N 2 0 273.396 1.126 10 0 CDAERP CN1C[C@@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)CCC1=O ZINC000925510659 617412398 /nfs/dbraw/zinc/41/23/98/617412398.db2.gz ZMPPCVRQJLLGQB-LSDHHAIUSA-N 2 0 275.396 1.677 10 0 CDAERP COC1CC[NH+](C(C)(C)CN[C@@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000925559363 617510256 /nfs/dbraw/zinc/51/02/56/617510256.db2.gz XTGNKQMKTYCSRG-HUUCEWRRSA-N 2 0 295.471 1.735 10 0 CDAERP CC[C@@H](C[C@@](C)(O)CC)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000924577991 617532006 /nfs/dbraw/zinc/53/20/06/617532006.db2.gz KNNGKHPIJQKQLS-HOTGVXAUSA-N 2 0 285.476 1.543 10 0 CDAERP CC1(C)[C@@H]([NH2+]C[C@H](O)COCC2CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925617055 617561996 /nfs/dbraw/zinc/56/19/96/617561996.db2.gz POSUWBNVHFYXQB-XGUBFFRZSA-N 2 0 282.428 1.140 10 0 CDAERP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)[C@@H](O)Cc1ccccc1 ZINC000925619080 617563964 /nfs/dbraw/zinc/56/39/64/617563964.db2.gz XOWUGJPJXMXMQV-QCEMKRCNSA-N 2 0 274.408 1.838 10 0 CDAERP CCc1noc([C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@H]3[NH3+])C2)n1 ZINC000925872367 617933559 /nfs/dbraw/zinc/93/35/59/617933559.db2.gz CEUCCXMYZZFKKE-WRWGMCAJSA-N 2 0 264.373 1.738 10 0 CDAERP COCC1(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)CCOCC1 ZINC000925672529 617632360 /nfs/dbraw/zinc/63/23/60/617632360.db2.gz IAZHQOISRLOFQC-CHWSQXEVSA-N 2 0 268.401 1.289 10 0 CDAERP [NH3+][C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@]23CCCO3)C12CCC2 ZINC000925772862 617648540 /nfs/dbraw/zinc/64/85/40/617648540.db2.gz KHZTYQCBLFUSDY-JLNYLFASSA-N 2 0 250.386 1.948 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](O)Cc2cccc(F)c2)C12CCC2 ZINC000925679551 617650204 /nfs/dbraw/zinc/65/02/04/617650204.db2.gz JOIHMJBBNILZKX-RRFJBIMHSA-N 2 0 278.371 1.589 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](O)Cc2cccc(F)c2)C12CCC2 ZINC000925679552 617651036 /nfs/dbraw/zinc/65/10/36/617651036.db2.gz JOIHMJBBNILZKX-ZNMIVQPWSA-N 2 0 278.371 1.589 10 0 CDAERP CCC[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccccn1 ZINC000925814082 617760652 /nfs/dbraw/zinc/76/06/52/617760652.db2.gz FMKRSTAGWMHXAC-OAHLLOKOSA-N 2 0 276.428 1.936 10 0 CDAERP C1CC2(C1)C[C@@H](N[C@H]1CC[NH2+]C13CCCC3)CC[NH2+]2 ZINC000925711407 617807793 /nfs/dbraw/zinc/80/77/93/617807793.db2.gz YYQVNXVWRWPADP-KBPBESRZSA-N 2 0 263.429 1.925 10 0 CDAERP C[C@H](CCC[NH3+])[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925713923 617818679 /nfs/dbraw/zinc/81/86/79/617818679.db2.gz ZIPYQNSHZZOKFA-SNPRPXQTSA-N 3 0 253.434 1.872 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H](N[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000925713701 617819006 /nfs/dbraw/zinc/81/90/06/617819006.db2.gz XZTIUYPYQQAURS-GMTAPVOTSA-N 2 0 261.360 1.479 10 0 CDAERP C(N[C@H]1CC[NH2+]C12CCC2)[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000925715577 617832373 /nfs/dbraw/zinc/83/23/73/617832373.db2.gz FBRSDALHZBDLAT-HOTGVXAUSA-N 2 0 277.456 1.983 10 0 CDAERP C(CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)CCN1CC[NH2+]CC1 ZINC000925842326 617872891 /nfs/dbraw/zinc/87/28/91/617872891.db2.gz LONNFXLMBTYRQZ-YESZJQIVSA-N 3 0 294.487 1.040 10 0 CDAERP C(CC[NH2+][C@@H]1CCC12CCC2)CCN1CC[NH2+]CC1 ZINC000925845355 617879759 /nfs/dbraw/zinc/87/97/59/617879759.db2.gz GKRIISXMVNUQPK-OAHLLOKOSA-N 2 0 265.445 1.984 10 0 CDAERP CC(C)(O)C[N@@H+]1CC[C@H](N[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925725051 617933513 /nfs/dbraw/zinc/93/35/13/617933513.db2.gz QGRKMCGHQOVSJN-HZSPNIEDSA-N 2 0 283.460 1.327 10 0 CDAERP COc1cccc(C[C@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)n1 ZINC000925881664 617966192 /nfs/dbraw/zinc/96/61/92/617966192.db2.gz DGCZTXNDJVZCAE-XQQFMLRXSA-N 2 0 263.385 1.738 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC(C)(C)C(C)(C)O ZINC000926547268 618042376 /nfs/dbraw/zinc/04/23/76/618042376.db2.gz BBLDPBIUPNELPX-FUNVUKJBSA-N 2 0 254.418 1.713 10 0 CDAERP [NH3+][C@H]1C[C@@H]([NH2+]CCn2cnc3ccccc32)C12CCC2 ZINC000925507843 618191850 /nfs/dbraw/zinc/19/18/50/618191850.db2.gz NRUQNQFZVLZNHM-LSDHHAIUSA-N 2 0 270.380 1.896 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000923416226 618328010 /nfs/dbraw/zinc/32/80/10/618328010.db2.gz UTUCPUDUCPTHQD-GXSJLCMTSA-N 2 0 268.323 1.607 10 0 CDAERP CCN(CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CC[NH2+]C1 ZINC000923424035 618329334 /nfs/dbraw/zinc/32/93/34/618329334.db2.gz CPUIWJKGQLNNJE-DKUMPPAJSA-N 2 0 251.418 1.591 10 0 CDAERP C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2)C[C@H]1CC[NH3+] ZINC000923427559 618334188 /nfs/dbraw/zinc/33/41/88/618334188.db2.gz BTUAAEJYRQAZPZ-KFWWJZLASA-N 2 0 278.396 1.343 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc(O)cc(F)c1 ZINC000924995630 618571364 /nfs/dbraw/zinc/57/13/64/618571364.db2.gz ZIPWWFURYPKSDE-OLZOCXBDSA-N 2 0 295.402 1.818 10 0 CDAERP COC(=O)[C@H]1[C@H](C[NH2+]C(C)(C)CCC[NH+](C)C)C1(F)F ZINC000894904148 619136486 /nfs/dbraw/zinc/13/64/86/619136486.db2.gz FCRVFVXJGKDMPF-WDEREUQCSA-N 2 0 292.370 1.751 10 0 CDAERP CC[C@@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)C(=O)OC ZINC000895128443 619324835 /nfs/dbraw/zinc/32/48/35/619324835.db2.gz TZQOWGKAALWDLH-ZDUSSCGKSA-N 2 0 268.401 1.650 10 0 CDAERP Cc1coc(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000895419727 619661425 /nfs/dbraw/zinc/66/14/25/619661425.db2.gz XLVDQSCUIRHIHO-HUUCEWRRSA-N 2 0 279.428 1.759 10 0 CDAERP c1cnn(C2CC([NH2+]C[C@H]3CCN3C3CCOCC3)C2)c1 ZINC000897229234 620431364 /nfs/dbraw/zinc/43/13/64/620431364.db2.gz RYUUZQUAUMLECF-OGVSOVDVSA-N 2 0 290.411 1.430 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCO[C@@H]2CCOC2)[C@H]2CCC[C@@H]21 ZINC000927082243 621691316 /nfs/dbraw/zinc/69/13/16/621691316.db2.gz VYDVCFTYGVWGFD-KBXIAJHMSA-N 2 0 268.401 1.254 10 0 CDAERP c1c(CC[NH+]2CCCCC2)nnn1C[C@H]1CCCC[NH2+]C1 ZINC000899740197 622399713 /nfs/dbraw/zinc/39/97/13/622399713.db2.gz FDJWVNQUEXJXQS-HNNXBMFYSA-N 2 0 291.443 1.696 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)/C=C(\C)CN1CCOCC1 ZINC000900672800 623359364 /nfs/dbraw/zinc/35/93/64/623359364.db2.gz LFGJJAUVHJKCGK-FYWRMAATSA-N 2 0 297.443 1.113 10 0 CDAERP C[N@@H+]1CCC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@H]21 ZINC000901105403 623888655 /nfs/dbraw/zinc/88/86/55/623888655.db2.gz UFWMSJVZMFZXKY-UONOGXRCSA-N 2 0 277.412 1.025 10 0 CDAERP C[N@H+]1CC=C(CNC(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC000901330813 624138766 /nfs/dbraw/zinc/13/87/66/624138766.db2.gz RAWUZNYWSUJKLD-CABCVRRESA-N 2 0 277.412 1.381 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000901326484 624182827 /nfs/dbraw/zinc/18/28/27/624182827.db2.gz IHJFUIKKZLORPC-ZIAGYGMSSA-N 2 0 267.417 1.413 10 0 CDAERP NC(=O)CC[C@H]1CCC[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000903433032 625990890 /nfs/dbraw/zinc/99/08/90/625990890.db2.gz RQCHXEBVDDBUJS-FRRDWIJNSA-N 2 0 253.390 1.091 10 0 CDAERP C[C@H](O)C[N@H+](C[C@@H]1C[NH2+]C[C@H]1C)C1CCCCC1 ZINC000903434316 625991084 /nfs/dbraw/zinc/99/10/84/625991084.db2.gz BXLOEPWXKYFNKT-RDBSUJKOSA-N 2 0 254.418 1.857 10 0 CDAERP C[C@@H](O)C[N@H+](C[C@@H]1C[NH2+]C[C@H]1C)C1CCCCC1 ZINC000903434315 625991199 /nfs/dbraw/zinc/99/11/99/625991199.db2.gz BXLOEPWXKYFNKT-MCIONIFRSA-N 2 0 254.418 1.857 10 0 CDAERP C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000903439742 625992569 /nfs/dbraw/zinc/99/25/69/625992569.db2.gz NNTABDKCPNHPNV-RQJABVFESA-N 2 0 288.457 1.401 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000903441069 625993104 /nfs/dbraw/zinc/99/31/04/625993104.db2.gz ITJCILUIFFXTNA-HLLBOEOZSA-N 2 0 296.455 1.892 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000903459369 625995123 /nfs/dbraw/zinc/99/51/23/625995123.db2.gz HSGOCPJLTGIQPV-RDBSUJKOSA-N 3 0 251.418 1.306 10 0 CDAERP CCO[C@@H]1C[N@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C[C@H]1C[NH3+] ZINC000903461435 625995843 /nfs/dbraw/zinc/99/58/43/625995843.db2.gz TYFRTJNQOVVOKW-UJPOAAIJSA-N 2 0 274.355 1.573 10 0 CDAERP CC[NH+](CC)C[C@@H]1CCN(C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903444625 625998769 /nfs/dbraw/zinc/99/87/69/625998769.db2.gz SWHFTFLQRNTXGV-ILXRZTDVSA-N 2 0 253.434 1.506 10 0 CDAERP COC[C@@H](C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)C(C)C ZINC000903454069 626001502 /nfs/dbraw/zinc/00/15/02/626001502.db2.gz UEKJNLUHFSIPAL-OAGGEKHMSA-N 2 0 284.444 1.733 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000903456330 626002278 /nfs/dbraw/zinc/00/22/78/626002278.db2.gz GWQPMBJYXMYBBG-KGLIPLIRSA-N 2 0 279.428 1.319 10 0 CDAERP C(C[NH2+][C@H]1CC[NH2+]C12CCCC2)CO[C@H]1CCOC1 ZINC000903484209 626007394 /nfs/dbraw/zinc/00/73/94/626007394.db2.gz PREOZRCODGSTJE-KBPBESRZSA-N 2 0 268.401 1.446 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@H](C)c1cccnc1)C2 ZINC000903492459 626011118 /nfs/dbraw/zinc/01/11/18/626011118.db2.gz FBOBUYOBJWOYFH-UJDVCPFMSA-N 2 0 289.379 1.355 10 0 CDAERP CCO[C@H](C[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1)C1CC1 ZINC000903494473 626011308 /nfs/dbraw/zinc/01/13/08/626011308.db2.gz FPFHRSIDNOAJTJ-NHIYQJMISA-N 2 0 296.411 1.014 10 0 CDAERP C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903494961 626011836 /nfs/dbraw/zinc/01/18/36/626011836.db2.gz SKLUEYAPVGVFJI-YIDVYQOGSA-N 2 0 295.471 1.796 10 0 CDAERP [NH3+][C@@H]1CN(CC2CC[NH2+]CC2)CC[C@@H]1C(F)(F)F ZINC000903535332 626019024 /nfs/dbraw/zinc/01/90/24/626019024.db2.gz YLXMQEIPHYERMZ-WDEREUQCSA-N 2 0 265.323 1.198 10 0 CDAERP C(OC1CC[NH+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1)C1CC1 ZINC000903733658 626075092 /nfs/dbraw/zinc/07/50/92/626075092.db2.gz LYVCSNUDCAQSDS-SJORKVTESA-N 2 0 294.439 1.646 10 0 CDAERP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CCCSC[C@H]1C1CC1 ZINC000903827725 626105692 /nfs/dbraw/zinc/10/56/92/626105692.db2.gz VMXKLKCHAZMNHN-KBPBESRZSA-N 2 0 282.453 1.725 10 0 CDAERP CCOCCO[C@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903896958 626136422 /nfs/dbraw/zinc/13/64/22/626136422.db2.gz BWUDZUQTHMBOKT-UYTSQGDYSA-N 2 0 282.428 1.644 10 0 CDAERP O=C1C[C@@H]([C@@H]2CCCC[N@@H+]2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CN1 ZINC000903899216 626138006 /nfs/dbraw/zinc/13/80/06/626138006.db2.gz RAMHWJMJVNBMCF-USNXZVQNSA-N 2 0 291.439 1.508 10 0 CDAERP [NH3+]C[C@H]1CC[C@H](C[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903920928 626147247 /nfs/dbraw/zinc/14/72/47/626147247.db2.gz XXWBVUJGTUSUBA-NGEFAJANSA-N 3 0 265.445 1.872 10 0 CDAERP C[C@H]([NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1)C1CCOCC1 ZINC000903922372 626147818 /nfs/dbraw/zinc/14/78/18/626147818.db2.gz WKWNGAWRSHUBKK-GXTWGEPZSA-N 2 0 293.415 1.107 10 0 CDAERP C[C@H](Cn1cncn1)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000903922902 626148349 /nfs/dbraw/zinc/14/83/49/626148349.db2.gz HDIVFQOEIOLSEG-GFCCVEGCSA-N 2 0 271.368 1.102 10 0 CDAERP c1nnn([C@H]2CCC[NH2+]C2)c1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000903929996 626150439 /nfs/dbraw/zinc/15/04/39/626150439.db2.gz PSRBPRUNTJJUCZ-DHMWGJHJSA-N 2 0 275.400 1.481 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[N@H+](C)CC2=CCSC2)cnn1C ZINC000903932569 626152213 /nfs/dbraw/zinc/15/22/13/626152213.db2.gz DVQXHWYVMGBFLQ-CQSZACIVSA-N 2 0 294.468 1.451 10 0 CDAERP C[C@H]1CN(C[C@H]([NH3+])CC(F)F)CCN1c1cc[nH+]cc1 ZINC000903937770 626155596 /nfs/dbraw/zinc/15/55/96/626155596.db2.gz QZJGFDOGNBHZEL-NWDGAFQWSA-N 2 0 284.354 1.575 10 0 CDAERP C[N@H+](CCCC[NH+]1CCCCC1)Cc1cnc(N)cn1 ZINC000903949166 626164540 /nfs/dbraw/zinc/16/45/40/626164540.db2.gz ZOBAAVVTQITKFZ-UHFFFAOYSA-N 2 0 277.416 1.757 10 0 CDAERP CCC1([NH+]2CCC2)CCN(C[C@H]([NH3+])CC(F)F)CC1 ZINC000903954041 626165899 /nfs/dbraw/zinc/16/58/99/626165899.db2.gz OOKDYXKDQPZNDD-GFCCVEGCSA-N 2 0 275.387 1.919 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)[C@@H](C)C1 ZINC000903974509 626169297 /nfs/dbraw/zinc/16/92/97/626169297.db2.gz QAGIAPGPSHEMRL-BARDWOONSA-N 3 0 253.434 1.552 10 0 CDAERP C[C@@H]1C[N@H+](Cc2ccc3c(c2)ncn3C)C[C@H]1CC[NH3+] ZINC000903977101 626169965 /nfs/dbraw/zinc/16/99/65/626169965.db2.gz IXRKBXATEZSCNF-TZMCWYRMSA-N 2 0 272.396 1.990 10 0 CDAERP C[C@@H]1C[C@@H](C[NH+]2CCC([C@@]3(C)COC(=O)N3)CC2)CC[NH2+]1 ZINC000903986519 626174428 /nfs/dbraw/zinc/17/44/28/626174428.db2.gz LKYWYDAXZDZMIF-DVOMOZLQSA-N 2 0 295.427 1.585 10 0 CDAERP C[C@H](CNC(=[NH2+])NC[C@H]1CCCS1)[NH+]1CCCCC1 ZINC000905041617 626381003 /nfs/dbraw/zinc/38/10/03/626381003.db2.gz JNBQUAYNVXNFKC-CHWSQXEVSA-N 2 0 284.473 1.870 10 0 CDAERP CN(C(=O)[C@H]1[NH2+]CCCC1(C)C)c1cc(C[NH3+])ccn1 ZINC000906227985 627157723 /nfs/dbraw/zinc/15/77/23/627157723.db2.gz RREFXWOPIVTBBF-CYBMUJFWSA-N 2 0 276.384 1.281 10 0 CDAERP CN(C(=O)C(C)(C)[NH+]1CCCCC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000906656495 627358735 /nfs/dbraw/zinc/35/87/35/627358735.db2.gz PUWZPERGSXSWBS-OAHLLOKOSA-N 2 0 293.455 1.946 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC000908258524 628097072 /nfs/dbraw/zinc/09/70/72/628097072.db2.gz QLIFZACPRFLEEC-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP CC[N@H+]1[C@H](C)CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC000912024891 629719929 /nfs/dbraw/zinc/71/99/29/629719929.db2.gz UNRXMZNJDNCZAZ-BETUJISGSA-N 2 0 253.390 1.023 10 0 CDAERP C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)[C@@H]1CCC[N@@H+]1C ZINC000912649164 630126127 /nfs/dbraw/zinc/12/61/27/630126127.db2.gz PRUDPIBLKIVYSF-ILXRZTDVSA-N 2 0 281.444 1.802 10 0 CDAERP Cc1nccn1CC(=O)N1[C@@H](CC[NH+](C)C)CCC[C@@H]1C ZINC000912649763 630126391 /nfs/dbraw/zinc/12/63/91/630126391.db2.gz ZHTMEKYDIHQHHN-DZGCQCFKSA-N 2 0 292.427 1.913 10 0 CDAERP CC[C@@H](C(=O)N1CC[C@H]([NH+]2CCC2)C1)[NH+](CC)CC ZINC000912914888 630283394 /nfs/dbraw/zinc/28/33/94/630283394.db2.gz AAMMWOSAHTXURH-KBPBESRZSA-N 2 0 267.417 1.413 10 0 CDAERP COC[C@@H](C[NH+]1CCC([N@H+](C)CCCO)CC1)C(C)C ZINC000929659234 630704552 /nfs/dbraw/zinc/70/45/52/630704552.db2.gz ZGWHMKPSEBSKEJ-OAHLLOKOSA-N 2 0 286.460 1.684 10 0 CDAERP Cc1nc(C)c(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)[nH]1 ZINC000929781199 630947611 /nfs/dbraw/zinc/94/76/11/630947611.db2.gz IFXATRNISOTAKK-GWCFXTLKSA-N 2 0 250.390 1.941 10 0 CDAERP C[C@@H]1[C@H](NC(=O)NCC[NH+]2CCC[C@@H](C)C2)CC[N@@H+]1C ZINC000914076042 631011547 /nfs/dbraw/zinc/01/15/47/631011547.db2.gz OHWAZXYZYVGQMJ-MGPQQGTHSA-N 2 0 282.432 1.110 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCC([NH+](C)C)CC1 ZINC000916020068 631888440 /nfs/dbraw/zinc/88/84/40/631888440.db2.gz XVDMKTBDRRAWNX-CQSZACIVSA-N 2 0 298.500 1.371 10 0 CDAERP COC/C(C)=C\C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000930059252 632501759 /nfs/dbraw/zinc/50/17/59/632501759.db2.gz BRUGEIXHVHFILD-NGKXZWBQSA-N 2 0 282.428 1.763 10 0 CDAERP CC[N@@H+]1CC[C@@H]1CNC(=O)N1CC[NH+](C)C[C@H]1CC(C)C ZINC000924019957 632556449 /nfs/dbraw/zinc/55/64/49/632556449.db2.gz BXHDWSGXNFYLLG-HUUCEWRRSA-N 2 0 296.459 1.452 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H](CC[NH2+]CCF)C2)C1 ZINC001698683457 1159020079 /nfs/dbraw/zinc/02/00/79/1159020079.db2.gz PZTFGBCIQXECDD-HUUCEWRRSA-N 2 0 299.434 1.516 10 0 CDAERP CCC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001267129389 1159130999 /nfs/dbraw/zinc/13/09/99/1159130999.db2.gz OMDLLNMDCFBVFR-UONOGXRCSA-N 2 0 269.433 1.754 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CCC[C@H](C)O)[NH+](C)C ZINC001482058820 1159971689 /nfs/dbraw/zinc/97/16/89/1159971689.db2.gz YQMOHIMGVMRNIA-RRFJBIMHSA-N 2 0 299.459 1.068 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCF)C1CC1 ZINC001269084324 1160029439 /nfs/dbraw/zinc/02/94/39/1160029439.db2.gz KBYADTIFKDLUQN-LSDHHAIUSA-N 2 0 299.434 1.561 10 0 CDAERP C[NH2+][C@H](C)CCNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC001771781677 1161964274 /nfs/dbraw/zinc/96/42/74/1161964274.db2.gz XJSOIPVUEJBUSH-IUODEOHRSA-N 2 0 289.423 1.793 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CCN(CCCS(C)(=O)=O)C1 ZINC000866706748 1164810739 /nfs/dbraw/zinc/81/07/39/1164810739.db2.gz QYAOQISWEDGYCZ-ZDUSSCGKSA-N 2 0 276.446 1.118 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)C1([NH+](C)C)CCCC1 ZINC001626849514 1165962455 /nfs/dbraw/zinc/96/24/55/1165962455.db2.gz UQFUSYYFGLFGJY-CYBMUJFWSA-N 2 0 269.433 1.707 10 0 CDAERP C[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1CC1CC1 ZINC001691748466 1167357909 /nfs/dbraw/zinc/35/79/09/1167357909.db2.gz PJINJKPAKOPOSS-HIFRSBDPSA-N 2 0 281.444 1.707 10 0 CDAERP C[NH+]1CCC(C(=O)NCCC[N@H+](CCCF)C2CC2)CC1 ZINC001566596047 1168349961 /nfs/dbraw/zinc/34/99/61/1168349961.db2.gz VBRARAPHVWJBJD-UHFFFAOYSA-N 2 0 299.434 1.659 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001647248017 1168488650 /nfs/dbraw/zinc/48/86/50/1168488650.db2.gz MAEJEMJJIDRTPB-BZUAXINKSA-N 2 0 293.455 1.981 10 0 CDAERP CCOCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H](C)C1 ZINC001671246530 1169421262 /nfs/dbraw/zinc/42/12/62/1169421262.db2.gz UGUMMBKOXPDHDV-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCCC[C@H]1[NH3+])[N@@H+]1CCCC[C@H]1C ZINC001649856516 1169437218 /nfs/dbraw/zinc/43/72/18/1169437218.db2.gz NWMCQHSCBFHNNW-APIJFGDWSA-N 2 0 281.444 1.883 10 0 CDAERP C[NH+]1CCC(CC(=O)NC/C=C\C[NH2+]CCCF)CC1 ZINC001568930566 1169552954 /nfs/dbraw/zinc/55/29/54/1169552954.db2.gz JNSYKFGBYGLIRP-IHWYPQMZSA-N 2 0 285.407 1.340 10 0 CDAERP CCCC[NH2+]C[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001568991563 1169583366 /nfs/dbraw/zinc/58/33/66/1169583366.db2.gz BWUXVGNIYITAMM-OCCSQVGLSA-N 2 0 267.417 1.223 10 0 CDAERP CCCCC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001569329105 1169768360 /nfs/dbraw/zinc/76/83/60/1169768360.db2.gz FXXOTXYGMURKFH-GJZGRUSLSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@@H](C)C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001569431393 1169879313 /nfs/dbraw/zinc/87/93/13/1169879313.db2.gz OSAHZXKGPMRJRH-CYBMUJFWSA-N 2 0 267.417 1.367 10 0 CDAERP CC[NH2+]CCC[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001571275049 1170359552 /nfs/dbraw/zinc/35/95/52/1170359552.db2.gz WKMJZIYWQNFSKV-STQMWFEESA-N 2 0 257.422 1.467 10 0 CDAERP CCC[NH2+]CC1(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCCC1 ZINC001665921134 1173087383 /nfs/dbraw/zinc/08/73/83/1173087383.db2.gz AIRZSIMPBWCLTN-OAHLLOKOSA-N 2 0 293.455 1.757 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001666547415 1173150925 /nfs/dbraw/zinc/15/09/25/1173150925.db2.gz WGHXZUAJRCWEFH-GDBMZVCRSA-N 2 0 295.471 1.716 10 0 CDAERP Cc1c(C(=O)NC/C=C\C[NH2+]C(C)C)ccc2c[nH+]cn21 ZINC001668900414 1173477729 /nfs/dbraw/zinc/47/77/29/1173477729.db2.gz YYAQNZVUKIURJW-PLNGDYQASA-N 2 0 286.379 1.927 10 0 CDAERP CCC[NH2+]CC1CC(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001674541941 1173962020 /nfs/dbraw/zinc/96/20/20/1173962020.db2.gz JRQWFPAGNIHVCQ-PFSRBDOWSA-N 2 0 281.444 1.611 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001675785337 1174148453 /nfs/dbraw/zinc/14/84/53/1174148453.db2.gz CXQWPBGBYCUESJ-WKILWMFISA-N 2 0 293.455 1.923 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001690369880 1175451317 /nfs/dbraw/zinc/45/13/17/1175451317.db2.gz BWCROOLQYKACHP-BETUJISGSA-N 2 0 255.406 1.364 10 0 CDAERP CC[NH2+]CCCCCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001691941167 1175653188 /nfs/dbraw/zinc/65/31/88/1175653188.db2.gz FABDSJMACBFVQX-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP CCC[NH2+][C@H](CC)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001698600905 1175866845 /nfs/dbraw/zinc/86/68/45/1175866845.db2.gz NPGDULAFYOWLOW-JHJVBQTASA-N 2 0 255.406 1.221 10 0 CDAERP CC(C)[NH2+]CC1(NC(=O)CC[NH+](C)C)CCCC1 ZINC001698633280 1175881306 /nfs/dbraw/zinc/88/13/06/1175881306.db2.gz DXNFINKUEBQOKG-UHFFFAOYSA-N 2 0 255.406 1.365 10 0 CDAERP CCC[NH2+]C[C@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001698769898 1175925772 /nfs/dbraw/zinc/92/57/72/1175925772.db2.gz BEXNJRIXVRQVOC-AWEZNQCLSA-N 2 0 295.471 1.860 10 0 CDAERP CC[C@@H](C(=O)NCC1([NH2+]CCCF)CCCC1)[NH+](C)C ZINC001698807339 1175940799 /nfs/dbraw/zinc/94/07/99/1175940799.db2.gz ZNJBVMNTEXTDKE-ZDUSSCGKSA-N 2 0 287.423 1.705 10 0 CDAERP CO[C@H](C)C[NH2+]CC[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001699155031 1176115370 /nfs/dbraw/zinc/11/53/70/1176115370.db2.gz SDVBHGSFFOEAGZ-LSDHHAIUSA-N 2 0 299.459 1.238 10 0 CDAERP CC[C@H](C[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@@H+]1C)OC ZINC001699198330 1176135256 /nfs/dbraw/zinc/13/52/56/1176135256.db2.gz FGXQJVGLOVYNTB-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)OCCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001699366914 1176323364 /nfs/dbraw/zinc/32/33/64/1176323364.db2.gz DGAWUMGQBMATID-HUUCEWRRSA-N 2 0 299.459 1.380 10 0 CDAERP CCC[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001699388716 1176349739 /nfs/dbraw/zinc/34/97/39/1176349739.db2.gz WLPFAWGTHVXCLU-ZIAGYGMSSA-N 2 0 269.433 1.611 10 0 CDAERP CC[C@H](C(=O)N(C)CCC[NH2+]CC1CCC1)[NH+](C)C ZINC001699515640 1176457522 /nfs/dbraw/zinc/45/75/22/1176457522.db2.gz DTNUTSHBMWTQDM-CQSZACIVSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@H](F)CC[NH2+]CC1CC(NC(=O)CC[NH+](C)C)C1 ZINC001700378739 1176884609 /nfs/dbraw/zinc/88/46/09/1176884609.db2.gz WRERWTRVSDTADM-HIFPTAJRSA-N 2 0 273.396 1.171 10 0 CDAERP CN(CC(C)(C)C[NH2+]CCF)C(=O)C12CCC[NH+]1CCC2 ZINC001700443112 1176930744 /nfs/dbraw/zinc/93/07/44/1176930744.db2.gz UBBGYQHSMXGQQK-UHFFFAOYSA-N 2 0 299.434 1.659 10 0 CDAERP CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@H+](C)C(C)C ZINC001700738011 1177103052 /nfs/dbraw/zinc/10/30/52/1177103052.db2.gz SMFUDBMZNAKPDR-ZDUSSCGKSA-N 2 0 255.406 1.173 10 0 CDAERP CCCC[N@H+]1CC=C(CNC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001701058252 1177260541 /nfs/dbraw/zinc/26/05/41/1177260541.db2.gz SUQLRXXQTWJADI-OAHLLOKOSA-N 2 0 293.455 1.877 10 0 CDAERP CCC[N@H+](C)CCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001712982705 1178284494 /nfs/dbraw/zinc/28/44/94/1178284494.db2.gz OVLQVMPISUXNNZ-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H](F)CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001713049121 1178328664 /nfs/dbraw/zinc/32/86/64/1178328664.db2.gz YEDDUXAHPNVRJW-ZIAGYGMSSA-N 2 0 299.434 1.657 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCCF)C1 ZINC001713366138 1178522103 /nfs/dbraw/zinc/52/21/03/1178522103.db2.gz WWYFYPYRWDZDFE-GJZGRUSLSA-N 2 0 299.434 1.659 10 0 CDAERP CN(CC[NH2+]CC1CC2(CCC2)C1)C(=O)CCC[NH+](C)C ZINC001713628317 1178687551 /nfs/dbraw/zinc/68/75/51/1178687551.db2.gz NJZBRKUZDFMWNP-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)CC[NH2+]Cc1cncc(F)c1 ZINC001713657111 1178698815 /nfs/dbraw/zinc/69/88/15/1178698815.db2.gz YFYOSKDZIMMYEV-UHFFFAOYSA-N 2 0 296.390 1.111 10 0 CDAERP CC(C)=CC[N@@H+]1CCC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001714048817 1178945511 /nfs/dbraw/zinc/94/55/11/1178945511.db2.gz QPBPFGSHCNJZMQ-INIZCTEOSA-N 2 0 293.455 1.877 10 0 CDAERP CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001714105559 1178976375 /nfs/dbraw/zinc/97/63/75/1178976375.db2.gz AJLYOVWOUZLPGC-ZIAGYGMSSA-N 2 0 269.433 1.754 10 0 CDAERP CC[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]CCCF ZINC001714106620 1178976492 /nfs/dbraw/zinc/97/64/92/1178976492.db2.gz LINUOUKUUOQTBS-AWEZNQCLSA-N 2 0 287.423 1.562 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](C[NH2+]CCC3CC3)C2)C1 ZINC001714367954 1179107805 /nfs/dbraw/zinc/10/78/05/1179107805.db2.gz OQTRFFKZVHHDTD-ZBFHGGJFSA-N 2 0 293.455 1.566 10 0 CDAERP COCCC[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001714763775 1179384670 /nfs/dbraw/zinc/38/46/70/1179384670.db2.gz NNNDDKWFMBPWLM-OAHLLOKOSA-N 2 0 299.459 1.334 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001715266998 1179601970 /nfs/dbraw/zinc/60/19/70/1179601970.db2.gz CURVJDVTQPPIEQ-QWHCGFSZSA-N 2 0 285.407 1.172 10 0 CDAERP CC[NH2+]C[C@H](CC(C)C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001715389470 1179653773 /nfs/dbraw/zinc/65/37/73/1179653773.db2.gz DUEAPTNRWJCEND-KBPBESRZSA-N 2 0 269.433 1.469 10 0 CDAERP CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001715405008 1179658466 /nfs/dbraw/zinc/65/84/66/1179658466.db2.gz VEFUTBJSBYNJLY-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP CCC[NH2+]C/C=C/CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001715831282 1179856079 /nfs/dbraw/zinc/85/60/79/1179856079.db2.gz AMYRQMMQGFCCLI-AATRIKPKSA-N 2 0 297.443 1.017 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001716000475 1179975672 /nfs/dbraw/zinc/97/56/72/1179975672.db2.gz PHBFDSPKRUFGGN-HNNXBMFYSA-N 2 0 281.444 1.779 10 0 CDAERP C[C@@H](CC[NH2+]CC1CCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001716170867 1180081621 /nfs/dbraw/zinc/08/16/21/1180081621.db2.gz SKFOOTYDZGKWLU-ZDUSSCGKSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@@H](CC[NH2+]CCC(C)(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001716197418 1180093269 /nfs/dbraw/zinc/09/32/69/1180093269.db2.gz ZZBXBRDHABPUTN-KBPBESRZSA-N 2 0 283.460 1.859 10 0 CDAERP CC1CC(C[NH2+]C/C=C/CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001716375037 1180172601 /nfs/dbraw/zinc/17/26/01/1180172601.db2.gz BVWSFKNXVKVYTB-XQWPFEOXSA-N 2 0 279.428 1.246 10 0 CDAERP CCC[N@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001716489275 1180249538 /nfs/dbraw/zinc/24/95/38/1180249538.db2.gz FMKZBJIKNOLXMY-ZDUSSCGKSA-N 2 0 269.433 1.707 10 0 CDAERP CC/C=C/CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001716489272 1180250078 /nfs/dbraw/zinc/25/00/78/1180250078.db2.gz FLOMRPGHDIDHMO-WLBISTCBSA-N 2 0 281.444 1.873 10 0 CDAERP CC[C@H](C)C[NH2+]CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001716579791 1180293165 /nfs/dbraw/zinc/29/31/65/1180293165.db2.gz ZSDYAYWZJJSJIZ-AWEZNQCLSA-N 2 0 281.444 1.566 10 0 CDAERP Cc1nc(C[NH2+]CCCN(C)C(=O)C[N@@H+](C)C(C)C)co1 ZINC001716587399 1180296054 /nfs/dbraw/zinc/29/60/54/1180296054.db2.gz ZVZMJNVMCBCJPP-UHFFFAOYSA-N 2 0 296.415 1.261 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+]2CCCCCF)C1 ZINC001716670575 1180354841 /nfs/dbraw/zinc/35/48/41/1180354841.db2.gz FJCXZXSGYAJRGS-KBPBESRZSA-N 2 0 285.407 1.268 10 0 CDAERP CCC[NH2+]C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001716993345 1180495171 /nfs/dbraw/zinc/49/51/71/1180495171.db2.gz HYNPFXRDXHLBBP-GJZGRUSLSA-N 2 0 283.460 1.812 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CCO1 ZINC001717184394 1180564197 /nfs/dbraw/zinc/56/41/97/1180564197.db2.gz YPENIGSREIKCCD-OAHLLOKOSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001717424542 1180665136 /nfs/dbraw/zinc/66/51/36/1180665136.db2.gz HKEAKOUOLWAJON-ZIAGYGMSSA-N 2 0 281.444 1.777 10 0 CDAERP CCOCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001717758417 1180832741 /nfs/dbraw/zinc/83/27/41/1180832741.db2.gz WZVFMZPQUJANIJ-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001717829701 1180883103 /nfs/dbraw/zinc/88/31/03/1180883103.db2.gz IYQFFFDVAQNMMP-CABCVRRESA-N 2 0 279.428 1.627 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C[NH2+]CCC2CC2)C1 ZINC001717879501 1180909337 /nfs/dbraw/zinc/90/93/37/1180909337.db2.gz PZNLWGGTVNSIHY-HUUCEWRRSA-N 2 0 281.444 1.613 10 0 CDAERP CCCC[NH2+]C[C@H](O)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001717923082 1180926729 /nfs/dbraw/zinc/92/67/29/1180926729.db2.gz HZUMEIQUOUXWKD-AWEZNQCLSA-N 2 0 299.459 1.070 10 0 CDAERP CC[NH2+]C1CC(N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001717994725 1180961800 /nfs/dbraw/zinc/96/18/00/1180961800.db2.gz QLSURNKPQFERGE-MOKVOYLWSA-N 2 0 267.417 1.460 10 0 CDAERP CC(C)[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001723022308 1181510290 /nfs/dbraw/zinc/51/02/90/1181510290.db2.gz HMBLDSAHJCMHNF-CHWSQXEVSA-N 2 0 255.406 1.173 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]C/C=C\Cl)C1CC1 ZINC001723321902 1181537608 /nfs/dbraw/zinc/53/76/08/1181537608.db2.gz BYDDTLDKMIIJKH-AKMKWWRZSA-N 2 0 299.846 1.708 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC=C(C)C)C1 ZINC001724946962 1181804327 /nfs/dbraw/zinc/80/43/27/1181804327.db2.gz LYEACCQROCLLLF-CABCVRRESA-N 2 0 281.444 1.731 10 0 CDAERP CC1(C)CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]CCCF ZINC001725676403 1182094233 /nfs/dbraw/zinc/09/42/33/1182094233.db2.gz BIWXIGRVKUEXGY-ZDUSSCGKSA-N 2 0 285.407 1.268 10 0 CDAERP CCCC[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001731283789 1182296503 /nfs/dbraw/zinc/29/65/03/1182296503.db2.gz VYFZFKCLKVAFHW-CYBMUJFWSA-N 2 0 255.406 1.176 10 0 CDAERP CCC[N@H+](CC)CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001731309510 1182310376 /nfs/dbraw/zinc/31/03/76/1182310376.db2.gz QQTDYCWNFKCHGE-ZIAGYGMSSA-N 2 0 269.433 1.565 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)CC1CCC1 ZINC001731322439 1182317132 /nfs/dbraw/zinc/31/71/32/1182317132.db2.gz OZQMGPCMKLGYKD-HNNXBMFYSA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)=CC[NH2+][C@H](CNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001731398073 1182359794 /nfs/dbraw/zinc/35/97/94/1182359794.db2.gz UZJBSGZAKRMLPK-OAHLLOKOSA-N 2 0 293.455 1.921 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCOC2CCC2)C1)[NH+](C)C ZINC001731454019 1182396396 /nfs/dbraw/zinc/39/63/96/1182396396.db2.gz WWCSAAYAHFMBEE-YDHLFZDLSA-N 2 0 297.443 1.133 10 0 CDAERP O=C(CCC[NH+]1CCCCC1)N1CC[C@@H](C[NH2+]CCF)C1 ZINC001731680904 1182515795 /nfs/dbraw/zinc/51/57/95/1182515795.db2.gz FOYPDFWPWWTBRJ-HNNXBMFYSA-N 2 0 299.434 1.660 10 0 CDAERP CC/C=C\CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001731838756 1182618753 /nfs/dbraw/zinc/61/87/53/1182618753.db2.gz UKIOIUNDURXEPY-KSLSASGISA-N 2 0 293.455 1.875 10 0 CDAERP Cc1ncccc1C[NH2+]CCN(C)C(=O)CCC[NH+](C)C ZINC001731947063 1182694939 /nfs/dbraw/zinc/69/49/39/1182694939.db2.gz BHXVHJXDHAOLIE-UHFFFAOYSA-N 2 0 292.427 1.280 10 0 CDAERP CN(CC[NH2+]CC1CCCC1)C(=O)C[NH+]1CCCC1 ZINC001731985261 1182713760 /nfs/dbraw/zinc/71/37/60/1182713760.db2.gz LXQPMJNHZAQKEI-UHFFFAOYSA-N 2 0 267.417 1.320 10 0 CDAERP CC(C)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001732691394 1183088372 /nfs/dbraw/zinc/08/83/72/1183088372.db2.gz YVPWMYOTHQINOL-CABCVRRESA-N 2 0 283.460 2.000 10 0 CDAERP Cc1ccc(C[NH2+]CC[C@@H](C)NC(=O)CC[NH+](C)C)cc1 ZINC001732725829 1183100778 /nfs/dbraw/zinc/10/07/78/1183100778.db2.gz JCSHENUMBYAGNC-OAHLLOKOSA-N 2 0 291.439 1.931 10 0 CDAERP C[C@H](C[NH2+]C/C=C\Cl)NC(=O)C12CCC[NH+]1CCC2 ZINC001732961227 1183205804 /nfs/dbraw/zinc/20/58/04/1183205804.db2.gz JXDRCDHHHQAEMA-DJFZKKHWSA-N 2 0 285.819 1.462 10 0 CDAERP CC(C)C[N@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C(C)C ZINC001733068015 1183275048 /nfs/dbraw/zinc/27/50/48/1183275048.db2.gz UFHHLWLKOUGRFI-CYBMUJFWSA-N 2 0 257.422 1.419 10 0 CDAERP C[NH+](C)CCCC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CCF ZINC001733078606 1183278964 /nfs/dbraw/zinc/27/89/64/1183278964.db2.gz NVUURJHPRCHDRV-KBPBESRZSA-N 2 0 287.423 1.562 10 0 CDAERP C[C@@H](F)CC[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001733101387 1183291092 /nfs/dbraw/zinc/29/10/92/1183291092.db2.gz KZBUVJFEBTXFCQ-MGPQQGTHSA-N 2 0 287.423 1.513 10 0 CDAERP CC[C@H](C(=O)N(C)CCC[NH2+]Cc1conc1C)[NH+](C)C ZINC001733107207 1183293263 /nfs/dbraw/zinc/29/32/63/1183293263.db2.gz OIHLSWXWZGTQMU-CQSZACIVSA-N 2 0 296.415 1.261 10 0 CDAERP O=C(N1CC[C@H](CC[NH2+]CC2CC2)C1)C12CC[NH+](CC1)C2 ZINC001733672331 1183494349 /nfs/dbraw/zinc/49/43/49/1183494349.db2.gz LXJLUHZGMBSXAN-HNNXBMFYSA-N 2 0 291.439 1.320 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001733763400 1183524917 /nfs/dbraw/zinc/52/49/17/1183524917.db2.gz WNLKFMXNNFEBRL-ZDUSSCGKSA-N 2 0 255.406 1.317 10 0 CDAERP COCCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001734033351 1183624497 /nfs/dbraw/zinc/62/44/97/1183624497.db2.gz BZNJCYHVDGTUPQ-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@H]2C[C@H](C[NH2+]CCCF)C2)CCC1 ZINC001734208822 1183691633 /nfs/dbraw/zinc/69/16/33/1183691633.db2.gz HWHWQKCDSCITGO-JOCQHMNTSA-N 2 0 285.407 1.315 10 0 CDAERP CC[N@@H+]1CC[C@@]2(NC(=O)CCCC[NH+](C)C)CCC[C@@H]12 ZINC001734442992 1183780824 /nfs/dbraw/zinc/78/08/24/1183780824.db2.gz RXPVOFKQQXOSFU-ZBFHGGJFSA-N 2 0 281.444 1.851 10 0 CDAERP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N[C@@H]3CCC[C@H]3[NH+](C)C)C[N@@H+]2C1 ZINC001772435013 1187229031 /nfs/dbraw/zinc/22/90/31/1187229031.db2.gz GGNVWQMMLOXBFH-LYYZXLFJSA-N 2 0 293.455 1.706 10 0 CDAERP C[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cccnc1 ZINC000925849792 705304144 /nfs/dbraw/zinc/30/41/44/705304144.db2.gz FNHGDDDEADOJHD-OCCSQVGLSA-N 2 0 289.379 1.418 10 0 CDAERP C[C@H]1CN(C(=[NH2+])NCCC[N@H+](C)C2CCCCC2)CCO1 ZINC000848987934 705304831 /nfs/dbraw/zinc/30/48/31/705304831.db2.gz QPWMQZYGPLUYLB-AWEZNQCLSA-N 2 0 296.459 1.886 10 0 CDAERP CC(C)C[C@H](CNC(=[NH2+])N1CCO[C@@H](C)C1)[NH+]1CCCC1 ZINC000848984072 705309154 /nfs/dbraw/zinc/30/91/54/705309154.db2.gz KBEMETVCZUAJHH-LSDHHAIUSA-N 2 0 296.459 1.742 10 0 CDAERP C([NH2+][C@@H]1CC[C@H]2SCCS[C@H]12)C12CC(C1)C[NH2+]2 ZINC000853245964 705323347 /nfs/dbraw/zinc/32/33/47/705323347.db2.gz FEXPIFBMRQJUAE-UVXZLIQYSA-N 2 0 270.467 1.708 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000810188535 705336137 /nfs/dbraw/zinc/33/61/37/705336137.db2.gz LWYQJFSHENCUJE-SWLSCSKDSA-N 2 0 285.407 1.409 10 0 CDAERP C[NH+](C)CCC1CC[NH+](C[C@@H](O)c2ccc(F)cn2)CC1 ZINC000799298444 705345602 /nfs/dbraw/zinc/34/56/02/705345602.db2.gz XWWMFZNECTUAKW-MRXNPFEDSA-N 2 0 295.402 1.918 10 0 CDAERP COC[C@@H](C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1)C(C)C ZINC000931074402 705364721 /nfs/dbraw/zinc/36/47/21/705364721.db2.gz FFUBYNMEMILUKA-HZPDHXFCSA-N 2 0 286.460 1.948 10 0 CDAERP CC(C)C[C@H](CNC(=O)[C@H]1C[NH2+]CC1(C)C)[NH+](C)C ZINC000711347198 705387821 /nfs/dbraw/zinc/38/78/21/705387821.db2.gz OLRFNANVOBDEOD-CHWSQXEVSA-N 2 0 269.433 1.325 10 0 CDAERP C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2)CC[C@H]1C[NH3+] ZINC000923495371 705475954 /nfs/dbraw/zinc/47/59/54/705475954.db2.gz BGSFQULRBGMWHE-KGLIPLIRSA-N 2 0 275.396 1.932 10 0 CDAERP [NH3+]CCCCCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000843506484 705520224 /nfs/dbraw/zinc/52/02/24/705520224.db2.gz VRFSGMHBUODQFS-MJBXVCDLSA-N 2 0 267.417 1.542 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000926718871 705530010 /nfs/dbraw/zinc/53/00/10/705530010.db2.gz NWRAYGLZUWUGKZ-IINVVDAPSA-N 2 0 293.455 1.170 10 0 CDAERP C[C@@H](C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)C[C@H](C)O ZINC000925511683 705562485 /nfs/dbraw/zinc/56/24/85/705562485.db2.gz RMDNQQUKXUAYSU-XHJNMGKDSA-N 2 0 254.418 1.760 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CC[NH+](CCCCCNC(C)=O)C1 ZINC000929778475 705646162 /nfs/dbraw/zinc/64/61/62/705646162.db2.gz JZRGVSCPRQXTKN-INIZCTEOSA-N 2 0 283.460 1.957 10 0 CDAERP [NH3+]Cc1cccc(C(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)c1 ZINC000818563655 705691859 /nfs/dbraw/zinc/69/18/59/705691859.db2.gz QPHQOGVDSLHPJF-CQSZACIVSA-N 2 0 259.353 1.112 10 0 CDAERP C[NH2+]CCCN1CCOC[C@@H]1C[C@@H]1CNc2ccccc21 ZINC000923549470 705698163 /nfs/dbraw/zinc/69/81/63/705698163.db2.gz JPRZEMLNQKZXHS-CABCVRRESA-N 2 0 289.423 1.896 10 0 CDAERP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1)[NH2+]2 ZINC000925725746 705699633 /nfs/dbraw/zinc/69/96/33/705699633.db2.gz NJSBHHHWGNFOEE-PLJUSGQGSA-N 3 0 251.418 1.623 10 0 CDAERP C[C@H](C[NH2+][C@H](C)c1ccnnc1)CN1CC[NH+](C)CC1 ZINC000924949743 705716423 /nfs/dbraw/zinc/71/64/23/705716423.db2.gz HIOOLPOUCHMANK-ZIAGYGMSSA-N 2 0 277.416 1.011 10 0 CDAERP CN1CC[C@](O)(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccn2)C1 ZINC000926172302 705734310 /nfs/dbraw/zinc/73/43/10/705734310.db2.gz CVFLBYFQSIXWRQ-OIISXLGYSA-N 2 0 289.423 1.449 10 0 CDAERP Cc1cc([C@H]([NH3+])CC(=O)NC[C@@H](C)[NH+](C)C)cc(Cl)n1 ZINC000831871403 705745906 /nfs/dbraw/zinc/74/59/06/705745906.db2.gz XKLWMHGDWSFCAE-ZYHUDNBSSA-N 2 0 298.818 1.500 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000850174769 705762506 /nfs/dbraw/zinc/76/25/06/705762506.db2.gz UMSARWFLNCDMOX-QSLWVIQJSA-N 2 0 268.401 1.646 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=[NH2+])NC[C@@H]2CCCO2)C1 ZINC000848996460 705815124 /nfs/dbraw/zinc/81/51/24/705815124.db2.gz WEGPMAMHLZGOOB-OLZOCXBDSA-N 2 0 268.405 1.010 10 0 CDAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CCOC1CCOCC1)CC2 ZINC000923445678 705834170 /nfs/dbraw/zinc/83/41/70/705834170.db2.gz KZVFVWJLKQGLLB-OAHLLOKOSA-N 2 0 298.427 1.012 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000925649138 705849049 /nfs/dbraw/zinc/84/90/49/705849049.db2.gz HTAIVUCSNUZZFS-KJLIAQIISA-N 2 0 266.307 1.230 10 0 CDAERP C[C@]1(CN2CC[NH+](C3CCCCC3)CC2)CC[NH2+]C1 ZINC000261890558 705856796 /nfs/dbraw/zinc/85/67/96/705856796.db2.gz TVWRQPCCXSOTGI-INIZCTEOSA-N 2 0 265.445 1.936 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000713049400 705866087 /nfs/dbraw/zinc/86/60/87/705866087.db2.gz HASCNXYTHBRNRI-MJBXVCDLSA-N 2 0 281.444 1.739 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)[C@@H]1CCCC[NH2+]1 ZINC000925831649 705949476 /nfs/dbraw/zinc/94/94/76/705949476.db2.gz PPJCRMZCZCDGRU-RMEBNNNOSA-N 2 0 250.386 1.698 10 0 CDAERP C[C@@H]([NH3+])CN(C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000861650052 705951773 /nfs/dbraw/zinc/95/17/73/705951773.db2.gz YYKIOUYWUXTCEY-BPLDGKMQSA-N 2 0 290.411 1.121 10 0 CDAERP COC1(C[NH2+]C[C@H](O)CN2CCCCC2)CCCC1 ZINC000312080645 705970307 /nfs/dbraw/zinc/97/03/07/705970307.db2.gz LOAIDNITSPSTTJ-AWEZNQCLSA-N 2 0 270.417 1.382 10 0 CDAERP C(COC1CCOCC1)[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925878002 705971017 /nfs/dbraw/zinc/97/10/17/705971017.db2.gz OPRVWABEGWKSRY-SJORKVTESA-N 2 0 296.455 1.940 10 0 CDAERP CCO[C@H](CN[C@@H](C)[C@H]1CCCC[NH2+]1)C[NH+](C)C ZINC000925837631 706010751 /nfs/dbraw/zinc/01/07/51/706010751.db2.gz RVSCRMNFFBQHHR-BFHYXJOUSA-N 2 0 257.422 1.073 10 0 CDAERP CN(CC1C[NH+](C)C1)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000852223999 706022951 /nfs/dbraw/zinc/02/29/51/706022951.db2.gz XSYFIJXBYWYAPM-KBPBESRZSA-N 2 0 282.432 1.062 10 0 CDAERP FC1(C2CC2)CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000724801675 706090390 /nfs/dbraw/zinc/09/03/90/706090390.db2.gz DKYMCIBSFSUDQV-CYBMUJFWSA-N 2 0 268.376 1.722 10 0 CDAERP C[N@@H+]1CCN(C(=O)[C@@]2(C)CCC[NH2+]C2)CCC1(C)C ZINC000712678329 706091002 /nfs/dbraw/zinc/09/10/02/706091002.db2.gz MDCTUYQECKVXKM-HNNXBMFYSA-N 2 0 267.417 1.319 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000712964842 706128526 /nfs/dbraw/zinc/12/85/26/706128526.db2.gz CEAPABGJJXTXTP-WOSRLPQWSA-N 2 0 277.412 1.201 10 0 CDAERP [NH3+][C@@H](CC1CC1)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000312470567 706147269 /nfs/dbraw/zinc/14/72/69/706147269.db2.gz AFTBUWXHYIAVCC-HNNXBMFYSA-N 2 0 279.428 1.448 10 0 CDAERP CC(C)(CN1CCCC1)[NH2+]C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000724661418 706155300 /nfs/dbraw/zinc/15/53/00/706155300.db2.gz YETQZVCQBKWCAX-MELADBBJSA-N 2 0 268.401 1.254 10 0 CDAERP O=C(C[C@@H]1CC[NH2+]C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000089745543 706236535 /nfs/dbraw/zinc/23/65/35/706236535.db2.gz DACDZYNSDZRKJS-HNNXBMFYSA-N 2 0 279.428 1.320 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000850174770 706247892 /nfs/dbraw/zinc/24/78/92/706247892.db2.gz UMSARWFLNCDMOX-RYMFRWLXSA-N 2 0 268.401 1.646 10 0 CDAERP C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000094753692 709501863 /nfs/dbraw/zinc/50/18/63/709501863.db2.gz GCNPISKDZVJIPT-UPJWGTAASA-N 2 0 253.390 1.057 10 0 CDAERP Cc1cccc(NC(=[NH2+])NC[C@H]2CCC[N@@H+]2CCCO)c1 ZINC000849034411 709509057 /nfs/dbraw/zinc/50/90/57/709509057.db2.gz UYXMAMITBVNYBQ-OAHLLOKOSA-N 2 0 290.411 1.778 10 0 CDAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@@H]3CC[C@H](C(F)(F)F)O3)C[C@H]12 ZINC000721439427 709513618 /nfs/dbraw/zinc/51/36/18/709513618.db2.gz AKHVQNSOGVYMGO-YBXAARCKSA-N 2 0 278.318 1.765 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccn2)C12CCC2 ZINC000925594370 709523227 /nfs/dbraw/zinc/52/32/27/709523227.db2.gz GOBNMPMIJCJBOQ-NEPJUHHUSA-N 2 0 274.368 1.270 10 0 CDAERP [NH3+]C1CCN(CC[NH2+][C@H]2CCc3ccc(F)cc32)CC1 ZINC000925811032 709711027 /nfs/dbraw/zinc/71/10/27/709711027.db2.gz QFIXIYOEGISXSB-INIZCTEOSA-N 2 0 277.387 1.826 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)CO[C@@H]2CCC[NH2+]C2)cc1 ZINC000841848433 709746422 /nfs/dbraw/zinc/74/64/22/709746422.db2.gz LGHJUFWNXMKLME-SWLSCSKDSA-N 2 0 291.395 1.091 10 0 CDAERP CC[C@H]1CCN(C(=[NH2+])NC[C@@H](C2CC2)[NH+](C)C)C1 ZINC000864455133 709807330 /nfs/dbraw/zinc/80/73/30/709807330.db2.gz HJBAMHXMKFVBBH-AAEUAGOBSA-N 2 0 252.406 1.583 10 0 CDAERP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccns1 ZINC000924664111 709810792 /nfs/dbraw/zinc/81/07/92/709810792.db2.gz ZOAFGPZLGIFSRG-CYBMUJFWSA-N 2 0 282.457 1.821 10 0 CDAERP CC[NH+]1CCC(CCNC(=[NH2+])N[C@@H]2C[C@H]2C)CC1 ZINC000864458868 709816994 /nfs/dbraw/zinc/81/69/94/709816994.db2.gz VHSLRPOKMBRVBC-DGCLKSJQSA-N 2 0 252.406 1.631 10 0 CDAERP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000713041085 709829655 /nfs/dbraw/zinc/82/96/55/709829655.db2.gz JYGGRBUZMUSHGM-UONOGXRCSA-N 2 0 283.460 1.796 10 0 CDAERP CCOC(=O)N1CC[C@H]([NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925643024 709838112 /nfs/dbraw/zinc/83/81/12/709838112.db2.gz VADZCZXWRYXTMV-TUAOUCFPSA-N 2 0 267.373 1.077 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)N[C@H]1CC[NH2+]C12CCC2 ZINC000925668976 709845813 /nfs/dbraw/zinc/84/58/13/709845813.db2.gz MTGUMZRRIKFHRQ-KGLIPLIRSA-N 2 0 253.434 1.981 10 0 CDAERP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925783207 709846820 /nfs/dbraw/zinc/84/68/20/709846820.db2.gz DIZDLMFQVHJFSL-RDBSUJKOSA-N 2 0 250.390 1.353 10 0 CDAERP O[C@@H](C[NH2+]C[C@@H]1CCC12CCOCC2)C[NH+]1CCCC1 ZINC000872228656 709865733 /nfs/dbraw/zinc/86/57/33/709865733.db2.gz IRHDVZBCSLYPBQ-GJZGRUSLSA-N 2 0 282.428 1.240 10 0 CDAERP C[C@@H](NC(=O)C[N@@H+]1CC[C@H](CC[NH3+])C1)c1ccc(F)cc1 ZINC000923487517 709874011 /nfs/dbraw/zinc/87/40/11/709874011.db2.gz FDHSDVGYPRZISN-OLZOCXBDSA-N 2 0 293.386 1.674 10 0 CDAERP C[NH2+]CCC1CC[NH+](C[C@@H]2C[C@@H]3COC[C@H]3O2)CC1 ZINC000724578341 709881057 /nfs/dbraw/zinc/88/10/57/709881057.db2.gz PKEOGGCXYHGAKJ-QLFBSQMISA-N 2 0 268.401 1.112 10 0 CDAERP C[NH2+]C[C@@H](C)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000870993806 709945638 /nfs/dbraw/zinc/94/56/38/709945638.db2.gz MVHAZEDCVNMUTM-RISCZKNCSA-N 2 0 255.406 1.065 10 0 CDAERP C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC000923261204 709947383 /nfs/dbraw/zinc/94/73/83/709947383.db2.gz GSKMVQSJGJKPQU-QXSJWSMHSA-N 2 0 291.439 1.698 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCNc1ccc(C)cn1 ZINC000925878779 710008716 /nfs/dbraw/zinc/00/87/16/710008716.db2.gz ZNXXGXNVYUAXMS-CYBMUJFWSA-N 2 0 266.389 1.145 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)C12CCC2 ZINC000713524276 710015251 /nfs/dbraw/zinc/01/52/51/710015251.db2.gz SRFIYAIVCBUZRR-MEBFFEOJSA-N 2 0 262.397 1.804 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCCNC(=O)C2CCC2)C1 ZINC000925574501 710020891 /nfs/dbraw/zinc/02/08/91/710020891.db2.gz BMNKONHCARNNAH-ZIAGYGMSSA-N 2 0 281.444 1.788 10 0 CDAERP CC[NH+](CC)CC(=O)N1CC[NH+]([C@H](C)C2CC2)CC1 ZINC000782183185 710025459 /nfs/dbraw/zinc/02/54/59/710025459.db2.gz ISFLIEZXAAZUOO-CYBMUJFWSA-N 2 0 267.417 1.271 10 0 CDAERP CC[C@H](C)[C@H](O)C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925483546 710038404 /nfs/dbraw/zinc/03/84/04/710038404.db2.gz UJJOWYBQRAARJZ-ZSLBOAEBSA-N 2 0 254.418 1.760 10 0 CDAERP C[C@H]1C[N@H+](CCCNC(=[NH2+])NCCC2CC2)CCCO1 ZINC000864465269 710189572 /nfs/dbraw/zinc/18/95/72/710189572.db2.gz SIXRZLPTTBPBPG-ZDUSSCGKSA-N 2 0 282.432 1.401 10 0 CDAERP COC[C@H](C)C[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720845074 710193263 /nfs/dbraw/zinc/19/32/63/710193263.db2.gz OYRLYVDBGDSMBK-UTLUCORTSA-N 2 0 254.296 1.338 10 0 CDAERP C[C@@H]1C[N@H+](CC(=O)Nc2cccc(F)c2)CC[C@H]1C[NH3+] ZINC000251888229 710228812 /nfs/dbraw/zinc/22/88/12/710228812.db2.gz VIJHERRNSCYOCN-NEPJUHHUSA-N 2 0 279.359 1.681 10 0 CDAERP C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC000923410053 710241245 /nfs/dbraw/zinc/24/12/45/710241245.db2.gz DRYZQZZDTUAEDH-BZPMIXESSA-N 2 0 298.814 1.606 10 0 CDAERP CCC1([NH+](C)C)CCN(CCC[NH2+]C2CC2)CC1 ZINC000715213163 710252272 /nfs/dbraw/zinc/25/22/72/710252272.db2.gz IWMKMNGHPSBGEK-UHFFFAOYSA-N 2 0 253.434 1.935 10 0 CDAERP COC(=O)c1cc(C[NH2+][C@@H](C)CCCC[NH3+])n(C)c1C ZINC000925768500 710286740 /nfs/dbraw/zinc/28/67/40/710286740.db2.gz JUSLKIRSQCLVHM-NSHDSACASA-N 2 0 281.400 1.727 10 0 CDAERP [NH3+][C@@H]1C[C@H](NC[C@@H]2C[NH2+]CCC2(F)F)c2ccccc21 ZINC000925776858 710289751 /nfs/dbraw/zinc/28/97/51/710289751.db2.gz NAVOWLMXUFKCFK-GDLCADMTSA-N 2 0 281.350 1.966 10 0 CDAERP CC1(C)[C@@H]([NH2+]CCCNC(=O)C2CCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925577362 710304432 /nfs/dbraw/zinc/30/44/32/710304432.db2.gz RDDUWERRFLWVIO-ILXRZTDVSA-N 2 0 293.455 1.659 10 0 CDAERP C[C@@H](CO)CCC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925630292 710305010 /nfs/dbraw/zinc/30/50/10/710305010.db2.gz QPWKWZILCJPGAD-RQJABVFESA-N 2 0 254.418 1.761 10 0 CDAERP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000872294397 710309119 /nfs/dbraw/zinc/30/91/19/710309119.db2.gz YNBJJENPIKYVQH-RGHULWKBSA-N 2 0 277.412 1.057 10 0 CDAERP C[C@H](NCCOC(F)(F)C(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000720247775 710336726 /nfs/dbraw/zinc/33/67/26/710336726.db2.gz CSSBDLKJSQBUQM-JGVFFNPUSA-N 2 0 276.249 1.888 10 0 CDAERP C[NH+](C)CCOc1cccc(C[NH2+]C[C@H](O)C2CC2)c1 ZINC000819011687 710340264 /nfs/dbraw/zinc/34/02/64/710340264.db2.gz WHQUZANIOXVITN-INIZCTEOSA-N 2 0 278.396 1.488 10 0 CDAERP C[NH+](C)C[C@@H](NC(=O)C[C@H]([NH3+])C1CC1)c1ccccc1 ZINC000123897688 710345274 /nfs/dbraw/zinc/34/52/74/710345274.db2.gz MLOKOQHISWKCLC-LSDHHAIUSA-N 2 0 275.396 1.533 10 0 CDAERP CC1(C)C[C@@H](NCCC[NH+]2CCC(O)CC2)C[C@@H]([NH3+])C1 ZINC000925500036 710366384 /nfs/dbraw/zinc/36/63/84/710366384.db2.gz CEWWVGDMFFCLIF-KGLIPLIRSA-N 2 0 283.460 1.329 10 0 CDAERP C[C@H](CN[C@H]1C[C@@H]([NH3+])C12CCC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000925545848 710379496 /nfs/dbraw/zinc/37/94/96/710379496.db2.gz CTVAISRIEDAIAK-TUVASFSCSA-N 2 0 265.445 1.966 10 0 CDAERP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000931719346 710401516 /nfs/dbraw/zinc/40/15/16/710401516.db2.gz KXOIGULDCONBMG-RFQIPJPRSA-N 2 0 266.385 1.354 10 0 CDAERP CSC1(C[NH2+][C@@H]2CO[C@H](C)[C@@H]2C)CC[NH+](C)CC1 ZINC000926449923 710403138 /nfs/dbraw/zinc/40/31/38/710403138.db2.gz YAVLPYVIFJNZBG-YNEHKIRRSA-N 2 0 272.458 1.827 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=[NH2+])N[C@H]2C[C@H]2C)C1 ZINC000864459288 710408447 /nfs/dbraw/zinc/40/84/47/710408447.db2.gz GKUZPGZIQVHCDM-UPJWGTAASA-N 2 0 252.406 1.487 10 0 CDAERP CC1(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CCC1 ZINC000261946239 710461126 /nfs/dbraw/zinc/46/11/26/710461126.db2.gz NJPVQGZYZQVTID-CQSZACIVSA-N 2 0 279.428 1.320 10 0 CDAERP Cc1ccccc1[C@H](O)C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925480893 710467538 /nfs/dbraw/zinc/46/75/38/710467538.db2.gz HPDODIWWANTISM-KFWWJZLASA-N 2 0 260.381 1.888 10 0 CDAERP CC[C@@H]1CCN(C(=[NH2+])NCCCN2CCC[N@H+](C)CC2)C1 ZINC000864456207 710470737 /nfs/dbraw/zinc/47/07/37/710470737.db2.gz GOCHTLBUFMKJFW-OAHLLOKOSA-N 2 0 295.475 1.270 10 0 CDAERP Cc1cccc(C)c1C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000819171634 710481526 /nfs/dbraw/zinc/48/15/26/710481526.db2.gz KVVSWUHOHQWAQB-MRXNPFEDSA-N 2 0 291.439 1.001 10 0 CDAERP CC[C@H](C)[N@H+](C)CCN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925577234 710488715 /nfs/dbraw/zinc/48/87/15/710488715.db2.gz MVIMVNLEFFESTR-UONOGXRCSA-N 2 0 253.434 1.981 10 0 CDAERP COC[C@H]([NH2+][C@H]1C[C@H]([NH3+])C12CCC2)C1CCOCC1 ZINC000925704567 710489380 /nfs/dbraw/zinc/48/93/80/710489380.db2.gz HSFMZIDYXGLCGE-IHRRRGAJSA-N 2 0 268.401 1.288 10 0 CDAERP CC[NH+](CC)CCC[N@@H+]1[C@H](C)CC[C@@H](C(N)=O)[C@H]1C ZINC000930912080 710505072 /nfs/dbraw/zinc/50/50/72/710505072.db2.gz RZZBVUPHNJHNMC-MGPQQGTHSA-N 2 0 269.433 1.693 10 0 CDAERP C[C@H](C[NH2+][C@@H](C1CC1)C1CCOCC1)C[NH+](C)C ZINC000926474092 710519912 /nfs/dbraw/zinc/51/99/12/710519912.db2.gz ODAXIFKOZPKLKJ-DOMZBBRYSA-N 2 0 254.418 1.979 10 0 CDAERP CCn1cnnc1CC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925572098 710527281 /nfs/dbraw/zinc/52/72/81/710527281.db2.gz IGIRBCDKRQIXSG-KWCYVHTRSA-N 2 0 277.416 1.207 10 0 CDAERP C[C@@H]1OC[C@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)[C@@H]1C ZINC000924630806 710528434 /nfs/dbraw/zinc/52/84/34/710528434.db2.gz AYDNKPCHNMIURG-IPYPFGDCSA-N 2 0 269.433 1.025 10 0 CDAERP C[N@@H+]1CCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CCC1(C)C ZINC000713380621 710529511 /nfs/dbraw/zinc/52/95/11/710529511.db2.gz FATBAOVVXZLVEC-XUJVJEKNSA-N 2 0 265.401 1.057 10 0 CDAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713427324 710541347 /nfs/dbraw/zinc/54/13/47/710541347.db2.gz XMTWEEBNLCNMDX-AQRJEWBLSA-N 2 0 277.412 1.199 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC000870938149 710563820 /nfs/dbraw/zinc/56/38/20/710563820.db2.gz YHZKJHBWAGBGTH-CQDKDKBSSA-N 2 0 275.396 1.840 10 0 CDAERP CC(C)[C@H](CNC(=[NH2+])N[C@H]1C[C@H]1C)[NH+]1CCCC1 ZINC000864450335 710572775 /nfs/dbraw/zinc/57/27/75/710572775.db2.gz KWJOPLPBMSLRPZ-AGIUHOORSA-N 2 0 252.406 1.629 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC[NH2+]CC1CC1 ZINC000717196289 710580319 /nfs/dbraw/zinc/58/03/19/710580319.db2.gz JQURQMGXSHAESK-TZMCWYRMSA-N 2 0 265.401 1.071 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870949740 710585754 /nfs/dbraw/zinc/58/57/54/710585754.db2.gz OUEVWWZCJFYHFB-UHFFFAOYSA-N 2 0 287.407 1.554 10 0 CDAERP C[C@@H]1C[N@@H+]([C@H](C(N)=O)c2ccccc2)CC[C@H]1C[NH3+] ZINC000923499187 710708021 /nfs/dbraw/zinc/70/80/21/710708021.db2.gz LEWPDIYYODKJOE-XBFCOCLRSA-N 2 0 261.369 1.130 10 0 CDAERP CC(C)n1cc(C[N@@H+]2C[C@@H](CO)C3(C2)CC[NH2+]CC3)cn1 ZINC000169782595 710779712 /nfs/dbraw/zinc/77/97/12/710779712.db2.gz DJQXNFXPAZMHGK-HNNXBMFYSA-N 2 0 292.427 1.258 10 0 CDAERP Nc1cc[nH+]c2c1CN(CCC(=O)NC1CCCC1)CC2 ZINC000931510517 710847963 /nfs/dbraw/zinc/84/79/63/710847963.db2.gz FMQCWBXVRUFYOF-UHFFFAOYSA-N 2 0 288.395 1.471 10 0 CDAERP CN(CCC[NH+](C)C)CCNC(=O)C1(C(F)F)CC1 ZINC000855418096 710848263 /nfs/dbraw/zinc/84/82/63/710848263.db2.gz VIGWIACVUUDPOQ-UHFFFAOYSA-N 2 0 277.359 1.031 10 0 CDAERP C[NH+](C)C[C@@H]1CN(C(=O)C=C2CCC2)C[C@H]1C[NH+](C)C ZINC000870020074 711372602 /nfs/dbraw/zinc/37/26/02/711372602.db2.gz BNNNBFIQLDWCES-HUUCEWRRSA-N 2 0 279.428 1.295 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CC1(C)CC(F)(F)C1 ZINC000720936266 711397483 /nfs/dbraw/zinc/39/74/83/711397483.db2.gz RRFOETYJYAVZBT-SNVBAGLBSA-N 2 0 250.333 1.765 10 0 CDAERP [NH3+]C[C@H]1C[N@H+](CC2CCOCC2)C[C@@H]1C(F)(F)F ZINC000720842409 711397785 /nfs/dbraw/zinc/39/77/85/711397785.db2.gz ZSXUASOBJCRODW-QWRGUYRKSA-N 2 0 266.307 1.482 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CC[NH+]2CCC1CC2 ZINC000787197824 711400010 /nfs/dbraw/zinc/40/00/10/711400010.db2.gz HRLWUVYTGQZZBF-CQSZACIVSA-N 2 0 296.484 1.125 10 0 CDAERP CC[C@H]([NH2+]CC1(N(C)C)CCOCC1)[C@H]1CCCOC1 ZINC000872033374 711400244 /nfs/dbraw/zinc/40/02/44/711400244.db2.gz CULVHQWGIIJZCB-GJZGRUSLSA-N 2 0 284.444 1.892 10 0 CDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H]2CCC=CO2)CC1 ZINC000249041488 711401485 /nfs/dbraw/zinc/40/14/85/711401485.db2.gz UUNNPPNLTFXKMK-GOEBONIOSA-N 2 0 282.428 1.704 10 0 CDAERP [NH3+]CC1(CCNC(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000846694559 711453908 /nfs/dbraw/zinc/45/39/08/711453908.db2.gz YOSFPBMYPUDUAP-UHFFFAOYSA-N 2 0 265.401 1.106 10 0 CDAERP NC(=O)CC1([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000921970248 711493582 /nfs/dbraw/zinc/49/35/82/711493582.db2.gz KCHDESNJTICYTJ-NWDGAFQWSA-N 2 0 251.374 1.001 10 0 CDAERP COc1ccc([C@H](C)[NH2+]CCN2CCC([NH3+])CC2)cc1O ZINC000925817760 711506832 /nfs/dbraw/zinc/50/68/32/711506832.db2.gz WOPSTHWRUQXCNG-LBPRGKRZSA-N 2 0 293.411 1.475 10 0 CDAERP C[C@]12C[NH2+]C[C@H]1CN(C[C@H]1CC[C@H](C(F)(F)F)O1)C2 ZINC000721469697 711507756 /nfs/dbraw/zinc/50/77/56/711507756.db2.gz XDTFFEOKOSFYQY-IRCOFANPSA-N 2 0 278.318 1.638 10 0 CDAERP CCN1C[C@H](C[NH+]2CCC(C[NH+]3CCCC3)CC2)OC1=O ZINC000846774308 711514962 /nfs/dbraw/zinc/51/49/62/711514962.db2.gz RKLHUILPIFOFDC-HNNXBMFYSA-N 2 0 295.427 1.635 10 0 CDAERP CC[C@@H](C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1)[NH+](C)C ZINC000870989194 711528351 /nfs/dbraw/zinc/52/83/51/711528351.db2.gz AEKYINHXAGIFAT-SWLSCSKDSA-N 2 0 269.433 1.550 10 0 CDAERP Cc1cc([C@@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)nn1C ZINC000925804208 711528654 /nfs/dbraw/zinc/52/86/54/711528654.db2.gz ZUINYEYKRDKASV-RAIGVLPGSA-N 2 0 250.390 1.625 10 0 CDAERP CC(C)[C@H]1CN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC[NH2+]1 ZINC000856488617 711529946 /nfs/dbraw/zinc/52/99/46/711529946.db2.gz AJELYANEHJRUNZ-CJNGLKHVSA-N 2 0 299.434 1.655 10 0 CDAERP O=C1CC[C@H]2C[N@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[C@@H]2N1 ZINC000923389528 711543412 /nfs/dbraw/zinc/54/34/12/711543412.db2.gz CPDADFFTIJEXMI-PSAQHYCVSA-N 2 0 291.439 1.508 10 0 CDAERP CCN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923502527 711556428 /nfs/dbraw/zinc/55/64/28/711556428.db2.gz ZMQYGEUZXSUBJU-RWMBFGLXSA-N 2 0 255.406 1.160 10 0 CDAERP CC[C@H](C)[C@@H]([NH3+])C(=O)NCC[NH2+]C1CCCCCC1 ZINC000237068237 711566986 /nfs/dbraw/zinc/56/69/86/711566986.db2.gz OPCFNYMRDCWPGV-GXTWGEPZSA-N 2 0 269.433 1.788 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCO[C@@H]2CCOC2)[C@H](C)C1 ZINC000930000811 711585302 /nfs/dbraw/zinc/58/53/02/711585302.db2.gz RYJKMJFSYUFVGX-KFWWJZLASA-N 2 0 270.417 1.454 10 0 CDAERP C[NH+](C)C1(CN[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CCOCC1 ZINC000925488176 711587349 /nfs/dbraw/zinc/58/73/49/711587349.db2.gz HJRYESZRELJLFE-UONOGXRCSA-N 2 0 283.460 1.593 10 0 CDAERP C[C@@H](C(=O)NC1CCCCC1)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923504863 711611218 /nfs/dbraw/zinc/61/12/18/711611218.db2.gz VEIZQKVXVSXPHV-HZSPNIEDSA-N 2 0 281.444 1.741 10 0 CDAERP CC(C)(O)C[C@@H](O)C[NH2+]CCCCC[NH+]1CCCCC1 ZINC000872201085 711621315 /nfs/dbraw/zinc/62/13/15/711621315.db2.gz VQANRLKCUIAPMM-OAHLLOKOSA-N 2 0 286.460 1.754 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)C[NH+]1CCCCC1 ZINC000715092838 711643408 /nfs/dbraw/zinc/64/34/08/711643408.db2.gz FHZFNDBCPCJWKW-WOPDTQHZSA-N 2 0 289.370 1.065 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000720880150 711645262 /nfs/dbraw/zinc/64/52/62/711645262.db2.gz NBBRBAAFVLOFHF-KKUMJFAQSA-N 2 0 281.444 1.693 10 0 CDAERP C[N@H+](CCCCCC[NH3+])Cc1ccc(C(N)=O)cc1 ZINC000710805846 711667690 /nfs/dbraw/zinc/66/76/90/711667690.db2.gz WDOXNBKVGPMMFF-UHFFFAOYSA-N 2 0 263.385 1.736 10 0 CDAERP CN1C[C@H](CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1=O ZINC000925813539 711668189 /nfs/dbraw/zinc/66/81/89/711668189.db2.gz UXYIZFBGKJQDTH-LVQVYYBASA-N 2 0 293.455 1.755 10 0 CDAERP CC(C)OC[C@@H](O)C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000872203075 711679724 /nfs/dbraw/zinc/67/97/24/711679724.db2.gz URVDOJSQKNVTBP-RDBSUJKOSA-N 2 0 258.406 1.235 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H](CO)Cc1ccccc1 ZINC000926235336 711681629 /nfs/dbraw/zinc/68/16/29/711681629.db2.gz SXLLIXJESUJLTM-TVXGVJEUSA-N 2 0 274.408 1.520 10 0 CDAERP C[C@H]1[C@H](NC(=O)NCC2(C[NH+](C)C)CCCC2)CC[N@@H+]1C ZINC000921965849 711683275 /nfs/dbraw/zinc/68/32/75/711683275.db2.gz RVMMZMRHGVPNJT-UONOGXRCSA-N 2 0 296.459 1.500 10 0 CDAERP CC[C@@H](CN[C@H]1CC[NH2+]C12CCC2)[NH+]1CCCC1 ZINC000925607253 711699207 /nfs/dbraw/zinc/69/92/07/711699207.db2.gz UAMMPZWSBVDIPI-KBPBESRZSA-N 2 0 251.418 1.735 10 0 CDAERP C[C@H](c1cccnc1)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923451040 711728017 /nfs/dbraw/zinc/72/80/17/711728017.db2.gz LBLVHOLOHYPCOJ-UKRRQHHQSA-N 2 0 275.396 1.972 10 0 CDAERP COC[C@H](C[N@@H+]1C[C@@H](OC)C[C@]1(C)C[NH3+])C(C)C ZINC000721912905 711729175 /nfs/dbraw/zinc/72/91/75/711729175.db2.gz FGTHLOLGPBSHGL-MELADBBJSA-N 2 0 258.406 1.343 10 0 CDAERP Cc1csc([C@H]2CC[N@@H+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)C2)n1 ZINC000923421963 711735279 /nfs/dbraw/zinc/73/52/79/711735279.db2.gz TXUGXCSEUBYKEY-BJDJZHNGSA-N 2 0 267.398 1.091 10 0 CDAERP CCOC(=O)N1CC[C@H]([NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925639486 711746119 /nfs/dbraw/zinc/74/61/19/711746119.db2.gz CDVQYBNFYRSNFQ-AGIUHOORSA-N 2 0 283.416 1.713 10 0 CDAERP COc1ccc(C[C@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cn1 ZINC000925795875 711756971 /nfs/dbraw/zinc/75/69/71/711756971.db2.gz QNEUUEVSAMFPDL-VNHYZAJKSA-N 2 0 277.412 1.856 10 0 CDAERP C[C@@H]1OC[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)[C@@H]1C ZINC000926306686 711761960 /nfs/dbraw/zinc/76/19/60/711761960.db2.gz GNSGEZLXLIPWDH-TYNCELHUSA-N 2 0 252.402 1.874 10 0 CDAERP C1C[C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)[C@H]2CSCCN2C1 ZINC000720492624 711763472 /nfs/dbraw/zinc/76/34/72/711763472.db2.gz CIGAQXIGYXEDKY-MGPQQGTHSA-N 2 0 269.458 1.298 10 0 CDAERP [NH3+][C@@H]1C[C@H](O)[C@@H]([NH+]2CCC(Cc3nccs3)CC2)C1 ZINC000923413163 711767732 /nfs/dbraw/zinc/76/77/32/711767732.db2.gz UGWQKROQPBEEFJ-AVGNSLFASA-N 2 0 281.425 1.248 10 0 CDAERP [NH3+][C@@H]1CC[C@@H]2CN(Cc3cccc(Cl)n3)C[C@@H]12 ZINC000310396234 711774985 /nfs/dbraw/zinc/77/49/85/711774985.db2.gz JRKACSAULUOOHR-YUSALJHKSA-N 2 0 251.761 1.904 10 0 CDAERP C[C@]1(C[N@@H+]2CC[C@@H](c3nccs3)C2)CC[NH2+]C1 ZINC000710604629 711784612 /nfs/dbraw/zinc/78/46/12/711784612.db2.gz OYWCIFMDYVDLGX-YPMHNXCESA-N 2 0 251.399 1.932 10 0 CDAERP CC1CCN(C(=O)C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)CC1 ZINC000923511171 711786237 /nfs/dbraw/zinc/78/62/37/711786237.db2.gz ZZHHCOICNQNWKP-ZIAGYGMSSA-N 2 0 267.417 1.162 10 0 CDAERP C[NH+](C)CCCNC(=S)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000849267274 711787761 /nfs/dbraw/zinc/78/77/61/711787761.db2.gz OVEAGTXBLMXEBF-LBPRGKRZSA-N 2 0 286.489 1.275 10 0 CDAERP COC[C@@H](C[NH+]1CCC(C(C)(C)C[NH3+])CC1)OC ZINC000714399771 711787947 /nfs/dbraw/zinc/78/79/47/711787947.db2.gz QSFIMOKWWKZIBX-CYBMUJFWSA-N 2 0 258.406 1.345 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC[NH2+]1 ZINC000262337728 711788742 /nfs/dbraw/zinc/78/87/42/711788742.db2.gz GIUGVPFLBBDBPI-UBHSHLNASA-N 2 0 267.417 1.398 10 0 CDAERP C(C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)CN1CCOCC1 ZINC000925494365 711791229 /nfs/dbraw/zinc/79/12/29/711791229.db2.gz OJYLDGBCWVKFCZ-SJORKVTESA-N 2 0 295.471 1.467 10 0 CDAERP [NH3+]C1(Cc2nc(-c3ccn4c[nH+]cc4c3)no2)CC1 ZINC000854155221 711793702 /nfs/dbraw/zinc/79/37/02/711793702.db2.gz RWYKMYSKFZARAX-UHFFFAOYSA-N 2 0 255.281 1.418 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CC[NH+](C)[C@@H](C(C)(C)C)C2)CC[N@@H+]1C ZINC000880611184 711793847 /nfs/dbraw/zinc/79/38/47/711793847.db2.gz LIGSMJWIWBCBEL-MGPQQGTHSA-N 2 0 281.444 1.515 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H](CCO)C2CCOCC2)C12CCC2 ZINC000925639840 711793967 /nfs/dbraw/zinc/79/39/67/711793967.db2.gz NZGBBUKPRNDMBB-BFHYXJOUSA-N 2 0 268.401 1.024 10 0 CDAERP CC(C)(O)C[N@@H+]1CC[C@H](NC2CC[NH+](C3CC3)CC2)C1 ZINC000866412051 711795682 /nfs/dbraw/zinc/79/56/82/711795682.db2.gz BVGDFUIRGUGJLM-AWEZNQCLSA-N 2 0 281.444 1.048 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)C[C@H](O)c1ccc(F)cc1F ZINC000923403055 711800036 /nfs/dbraw/zinc/80/00/36/711800036.db2.gz MYVDPBUSVIITAP-AWEZNQCLSA-N 2 0 288.338 1.166 10 0 CDAERP CC(C)(CN[C@@H]1C[C@H]([NH3+])C12CCC2)C[NH+]1CCCC1 ZINC000925651023 711802720 /nfs/dbraw/zinc/80/27/20/711802720.db2.gz VAIVJGNAQZONKZ-UONOGXRCSA-N 2 0 265.445 1.968 10 0 CDAERP CC[C@@H]1CCN(C(=[NH2+])NCCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000864465406 711809520 /nfs/dbraw/zinc/80/95/20/711809520.db2.gz VWHGRMROKQILQT-LSDHHAIUSA-N 2 0 296.459 1.744 10 0 CDAERP C[C@@H](NC[C@H]1CN(C2CC2)C(=O)O1)[C@H]1CCCC[NH2+]1 ZINC000848722290 711810305 /nfs/dbraw/zinc/81/03/05/711810305.db2.gz RTHOJQZIUOWQDQ-KGYLQXTDSA-N 2 0 267.373 1.090 10 0 CDAERP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857866522 711813926 /nfs/dbraw/zinc/81/39/26/711813926.db2.gz SXIVWFRLAIQUSV-ZFWWWQNUSA-N 2 0 291.443 1.403 10 0 CDAERP C[C@H]1CN(Cc2cnn(-c3ccccc3)n2)CC[C@@H]1C[NH3+] ZINC000923497120 711816547 /nfs/dbraw/zinc/81/65/47/711816547.db2.gz DZZPZSNVDCGLFT-UONOGXRCSA-N 2 0 285.395 1.684 10 0 CDAERP CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000708140274 711818941 /nfs/dbraw/zinc/81/89/41/711818941.db2.gz HOOUPYWTKZSQPX-IJLUTSLNSA-N 2 0 255.406 1.206 10 0 CDAERP C[NH+](C)CC1(O)CC[NH+](C[C@H]2CCCC(C)(C)O2)CC1 ZINC000714331172 711821305 /nfs/dbraw/zinc/82/13/05/711821305.db2.gz RYYJXMFVGGCTSG-CQSZACIVSA-N 2 0 284.444 1.723 10 0 CDAERP C[C@H](CN[C@@H]1C[C@@H]([NH3+])C12CCC2)[NH+]1CCC(C)CC1 ZINC000925511604 711821789 /nfs/dbraw/zinc/82/17/89/711821789.db2.gz PTMHHQSBPWKQPT-RBSFLKMASA-N 2 0 265.445 1.966 10 0 CDAERP C[C@@H]1[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCN1C ZINC000719599387 711823539 /nfs/dbraw/zinc/82/35/39/711823539.db2.gz LAARNFGJMIFPRS-CJNGLKHVSA-N 2 0 274.412 1.733 10 0 CDAERP Cc1cc(C[NH+]2CCC(OCCC[NH3+])CC2)c(C)nn1 ZINC000720599108 711824365 /nfs/dbraw/zinc/82/43/65/711824365.db2.gz DOQQWBFWXDKRTC-UHFFFAOYSA-N 2 0 278.400 1.423 10 0 CDAERP CC[C@H]([NH2+]CCCN1CC[NH+](C)CC1)[C@@H]1CCCOC1 ZINC000723969469 711827081 /nfs/dbraw/zinc/82/70/81/711827081.db2.gz QTJHTHIQHTVDCJ-CVEARBPZSA-N 2 0 283.460 1.419 10 0 CDAERP Cn1c2ccc(C[NH2+]C3CCC([NH3+])CC3)cc2sc1=O ZINC000843103753 711828818 /nfs/dbraw/zinc/82/88/18/711828818.db2.gz BWGUOXIYXZDBTK-UHFFFAOYSA-N 2 0 291.420 1.960 10 0 CDAERP C(C[C@@H]1CCCS1)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000715626737 711829450 /nfs/dbraw/zinc/82/94/50/711829450.db2.gz VKLVPBUIOUSKBP-VZKILSJISA-N 2 0 252.427 1.858 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1N[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925716595 711833871 /nfs/dbraw/zinc/83/38/71/711833871.db2.gz AVPXKWPKIIAHJH-MHEUCROKSA-N 2 0 251.418 1.495 10 0 CDAERP [NH3+]C[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)C[C@H]1C(F)(F)F ZINC000872152387 711836045 /nfs/dbraw/zinc/83/60/45/711836045.db2.gz QOWARTVFSPZFQF-IJLUTSLNSA-N 3 0 279.350 1.445 10 0 CDAERP C[C@H](C[NH2+]CCCC1CCC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001568984723 1167547451 /nfs/dbraw/zinc/54/74/51/1167547451.db2.gz YDPDRWNBNQPISM-HIFRSBDPSA-N 2 0 281.444 1.755 10 0 CDAERP CCCCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001571599968 1167601171 /nfs/dbraw/zinc/60/11/71/1167601171.db2.gz IZIJVWUURAGIHT-HUUCEWRRSA-N 2 0 299.459 1.022 10 0 CDAERP CCOCC[NH2+]C[C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001566904684 1168039810 /nfs/dbraw/zinc/03/98/10/1168039810.db2.gz IDYUNVUVUWKEDQ-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP CCC[NH2+][C@H](CC)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001567962350 1168079816 /nfs/dbraw/zinc/07/98/16/1168079816.db2.gz PKSFSDIUOXNQRP-HZSPNIEDSA-N 2 0 269.433 1.611 10 0 CDAERP CC1CC[NH+](CC(=O)NCCC[N@H+](C)CCCF)CC1 ZINC001566503326 1168314173 /nfs/dbraw/zinc/31/41/73/1168314173.db2.gz TUPLBHFPJCDGJR-UHFFFAOYSA-N 2 0 287.423 1.516 10 0 CDAERP CCCCC[N@@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001566632499 1168363385 /nfs/dbraw/zinc/36/33/85/1168363385.db2.gz COVVPTOKEQGTKY-HNNXBMFYSA-N 2 0 293.455 1.853 10 0 CDAERP CC[C@@H](C)C[N@@H+]1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001483675767 912589408 /nfs/dbraw/zinc/58/94/08/912589408.db2.gz HAKIFMDIHSIISQ-ZIAGYGMSSA-N 2 0 281.444 1.565 10 0 CDAERP O=C(CCCC[NH+]1CCCC1)NC[C@@H]1CCN1CCF ZINC001483706065 912937228 /nfs/dbraw/zinc/93/72/28/912937228.db2.gz LBMORMMLTTWUEJ-AWEZNQCLSA-N 2 0 285.407 1.413 10 0 CDAERP O[C@H](C[NH+]1CCCC1)C[NH+]1CCC(C2CCC2)CC1 ZINC000692959452 894174501 /nfs/dbraw/zinc/17/45/01/894174501.db2.gz GWUUZGFNDFLAQR-MRXNPFEDSA-N 2 0 266.429 1.955 10 0 CDAERP CC[N@@H+](CC=C(C)C)CCNC(=O)C[NH+](C)C1CCC1 ZINC001266394407 894668660 /nfs/dbraw/zinc/66/86/60/894668660.db2.gz OXFPGAXBPQBDFS-UHFFFAOYSA-N 2 0 281.444 1.875 10 0 CDAERP CC[N@H+](CCNC(=O)C[NH+](C)C(C)C)CC1CCC1 ZINC001266440137 894908516 /nfs/dbraw/zinc/90/85/16/894908516.db2.gz IAGMMTLPFFOMFY-UHFFFAOYSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001266640512 895662745 /nfs/dbraw/zinc/66/27/45/895662745.db2.gz WTAJRJBSAGFIOG-JOCQHMNTSA-N 2 0 255.406 1.219 10 0 CDAERP C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CCCF ZINC001266975678 896476529 /nfs/dbraw/zinc/47/65/29/896476529.db2.gz OXHLQTSWULNAPF-KBPBESRZSA-N 2 0 287.423 1.705 10 0 CDAERP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCCN(Cc3ccccc3)CC2)C1 ZINC000693591716 896848041 /nfs/dbraw/zinc/84/80/41/896848041.db2.gz KPCGHOHVJKRVSR-CALCHBBNSA-N 2 0 273.424 1.932 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001267272104 897434169 /nfs/dbraw/zinc/43/41/69/897434169.db2.gz IOXHSIZKGQQZOX-CYBMUJFWSA-N 2 0 267.417 1.461 10 0 CDAERP CC(C)=CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001267323263 897588986 /nfs/dbraw/zinc/58/89/86/897588986.db2.gz VXLUBLHVOWOMIN-HNNXBMFYSA-N 2 0 279.428 1.627 10 0 CDAERP CC(C)C[C@@H](C)C[NH2+]CCN(C)C(=O)Cc1ncc[nH]1 ZINC001267446348 897915409 /nfs/dbraw/zinc/91/54/09/897915409.db2.gz PFYFCDLOIUPMIK-CYBMUJFWSA-N 2 0 280.416 1.682 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)CC[NH2+]CC=C(C)C ZINC001267458731 897945793 /nfs/dbraw/zinc/94/57/93/897945793.db2.gz SMHXSOABGKXUCT-UHFFFAOYSA-N 2 0 255.406 1.342 10 0 CDAERP CC(C)=CC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267514154 898198739 /nfs/dbraw/zinc/19/87/39/898198739.db2.gz SKAUCVOKXRGBTP-HZPDHXFCSA-N 2 0 293.455 1.875 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001481042292 898663049 /nfs/dbraw/zinc/66/30/49/898663049.db2.gz FPOWCCNKUVAULV-ZIAGYGMSSA-N 2 0 299.434 1.799 10 0 CDAERP CC[C@@H](C(=O)N(C)CC[NH2+]Cc1ccsc1)[NH+](C)C ZINC001481303877 900281259 /nfs/dbraw/zinc/28/12/59/900281259.db2.gz DTVOYTLZYIMSPP-ZDUSSCGKSA-N 2 0 283.441 1.636 10 0 CDAERP CC(C)[NH2+][C@@H](C)C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001481343683 900463509 /nfs/dbraw/zinc/46/35/09/900463509.db2.gz QLIUEAXQGPAFOC-AWEZNQCLSA-N 2 0 283.460 1.952 10 0 CDAERP CC(C)C[C@@H](C[NH2+]CCC1CC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001268116125 901330332 /nfs/dbraw/zinc/33/03/32/901330332.db2.gz GOQFZVAYUGFJIG-HOTGVXAUSA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001268151759 901424034 /nfs/dbraw/zinc/42/40/34/901424034.db2.gz XZYYMUOSHCEPES-CQSZACIVSA-N 2 0 269.433 1.563 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001481696113 901820754 /nfs/dbraw/zinc/82/07/54/901820754.db2.gz BEQBZEYVBGJTPI-WFVIONGDSA-N 2 0 279.428 1.485 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C)CC[NH2+]CC1CCOCC1)[NH+](C)C ZINC001268406390 902008047 /nfs/dbraw/zinc/00/80/47/902008047.db2.gz XBLOFUPDKZMSHP-HIFRSBDPSA-N 2 0 299.459 1.238 10 0 CDAERP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cnoc1C ZINC001481879365 902264056 /nfs/dbraw/zinc/26/40/56/902264056.db2.gz QUGKWDIAHGYRIN-AWEZNQCLSA-N 2 0 294.399 1.063 10 0 CDAERP CN(CCC[NH2+]Cc1cncs1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268784472 903130194 /nfs/dbraw/zinc/13/01/94/903130194.db2.gz VCYJVBHYVLDSEO-CYBMUJFWSA-N 2 0 296.440 1.175 10 0 CDAERP Cc1cc(C[NH2+]C2(CNC(=O)CC[NH+](C)C)CC2)sn1 ZINC001483763844 914692066 /nfs/dbraw/zinc/69/20/66/914692066.db2.gz VWEVSQMNHMGFHW-UHFFFAOYSA-N 2 0 296.440 1.142 10 0 CDAERP CCCC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001269378966 903760059 /nfs/dbraw/zinc/76/00/59/903760059.db2.gz ZJINLSVAWZJDPD-QWHCGFSZSA-N 2 0 255.406 1.365 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCF)CC1 ZINC001269411985 903789996 /nfs/dbraw/zinc/78/99/96/903789996.db2.gz ZXEFVKUATQYFPR-ZDUSSCGKSA-N 2 0 285.407 1.457 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CCC[C@@H](CC[NH2+]CCF)C1 ZINC001269800198 904119617 /nfs/dbraw/zinc/11/96/17/904119617.db2.gz ZAKRNPKUNYQGCM-AWEZNQCLSA-N 2 0 285.407 1.270 10 0 CDAERP COCCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001269989523 904253704 /nfs/dbraw/zinc/25/37/04/904253704.db2.gz SWJKYPFIAMPLNO-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)=CC[NH+]1CC[C@](C)(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001270625586 904836815 /nfs/dbraw/zinc/83/68/15/904836815.db2.gz YPAZALCYIOHRGP-WBVHZDCISA-N 2 0 293.455 1.875 10 0 CDAERP CC(C)C[C@@H](C[NH2+]CCF)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001482383660 905279492 /nfs/dbraw/zinc/27/94/92/905279492.db2.gz ACBDWKFNZBWCRK-GJZGRUSLSA-N 2 0 299.434 1.418 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CCF)CC1 ZINC001280367951 905668847 /nfs/dbraw/zinc/66/88/47/905668847.db2.gz XHQFGJBLZOQQAU-RBSFLKMASA-N 2 0 299.434 1.705 10 0 CDAERP C[C@H](CC[NH2+]CCCF)NC(=O)C12CCC[NH+]1CCC2 ZINC001482852520 908428571 /nfs/dbraw/zinc/42/85/71/908428571.db2.gz WTFZOZNJIDDAHJ-CYBMUJFWSA-N 2 0 285.407 1.459 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1ncc(C)o1)[NH+](C)C ZINC001482892363 908471191 /nfs/dbraw/zinc/47/11/91/908471191.db2.gz SMZKNSRWLRNNBE-YPMHNXCESA-N 2 0 296.415 1.308 10 0 CDAERP CCN(CC[NH2+]C(C)C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001482969798 908554993 /nfs/dbraw/zinc/55/49/93/908554993.db2.gz KSXWOPRFWSMSAV-OKILXGFUSA-N 2 0 269.433 1.706 10 0 CDAERP CCOCC[N@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1CC ZINC001272179062 908681258 /nfs/dbraw/zinc/68/12/58/908681258.db2.gz VVALZAGPPDHDPS-OAHLLOKOSA-N 2 0 299.459 1.288 10 0 CDAERP C[C@H](C[NH2+]Cc1ccsc1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001483166534 909897454 /nfs/dbraw/zinc/89/74/54/909897454.db2.gz JBROWIIDKMHZEU-CHWSQXEVSA-N 2 0 295.452 1.684 10 0 CDAERP CC[NH2+][C@H](C)[C@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001409416363 910381963 /nfs/dbraw/zinc/38/19/63/910381963.db2.gz ZIMMPBKAOVDGSL-NEPJUHHUSA-N 2 0 287.367 1.384 10 0 CDAERP Cc1cncc(C[NH2+]C[C@H](C)NC(=O)C[NH+]2CCCC2)c1 ZINC001483293517 910805011 /nfs/dbraw/zinc/80/50/11/910805011.db2.gz GZFMHPUOENZKQJ-AWEZNQCLSA-N 2 0 290.411 1.080 10 0 CDAERP CCC[NH2+]CC[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001568068374 1169131400 /nfs/dbraw/zinc/13/14/00/1169131400.db2.gz VWLDWGBMEBBEFL-AWEZNQCLSA-N 2 0 269.433 1.566 10 0 CDAERP CC(C)OCCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001483637099 912089890 /nfs/dbraw/zinc/08/98/90/912089890.db2.gz RMGWAQBBPBJWHJ-GJZGRUSLSA-N 2 0 297.443 1.086 10 0 CDAERP C1C[C@@H]2C[C@@H]([NH2+][C@H]3CCC4(C3)OCCO4)CC[N@@H+]2C1 ZINC001178337088 915347084 /nfs/dbraw/zinc/34/70/84/915347084.db2.gz XTCMYKNVBCLWBA-MELADBBJSA-N 2 0 266.385 1.498 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@](C)(C[NH2+]CC2CC2)C1 ZINC001484101079 915434212 /nfs/dbraw/zinc/43/42/12/915434212.db2.gz PWLPPEQSFCNCTO-NVXWUHKLSA-N 2 0 293.455 1.709 10 0 CDAERP CC[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCF)[NH+](C)C ZINC001484389074 915717652 /nfs/dbraw/zinc/71/76/52/915717652.db2.gz VUEVXRWIROKWIM-LXTVHRRPSA-N 2 0 299.434 1.655 10 0 CDAERP CN(CC[NH2+]CCCCCF)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001493793340 915767786 /nfs/dbraw/zinc/76/77/86/915767786.db2.gz GXJKDMJIMCRVMQ-CYBMUJFWSA-N 2 0 273.396 1.126 10 0 CDAERP CCCCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001484898289 916252022 /nfs/dbraw/zinc/25/20/22/916252022.db2.gz VQUMQUAJCZSZQR-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1[NH2+]CCCF ZINC001484903503 916256763 /nfs/dbraw/zinc/25/67/63/916256763.db2.gz CJZROCUAYRTBMO-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP CCC[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001485180703 916630636 /nfs/dbraw/zinc/63/06/36/916630636.db2.gz GBSGMBBHUMJZAD-OLZOCXBDSA-N 2 0 269.433 1.754 10 0 CDAERP CCCCC[NH2+][C@H](C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001485213263 916677894 /nfs/dbraw/zinc/67/78/94/916677894.db2.gz CWUVWRPOHFZWQP-KGLIPLIRSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH+](C)CCCF ZINC001485372938 916924104 /nfs/dbraw/zinc/92/41/04/916924104.db2.gz GPSLRLFSHQXFLH-STQMWFEESA-N 2 0 273.396 1.124 10 0 CDAERP CCCC[C@@H](C[NH2+]C(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001485462254 916993725 /nfs/dbraw/zinc/99/37/25/916993725.db2.gz WFYIIORLBZXERU-KBPBESRZSA-N 2 0 269.433 1.754 10 0 CDAERP C[C@@H](NC(=O)CC[NH+](C)C)C1C[NH+](CC2CCC2)C1 ZINC001485523725 917063413 /nfs/dbraw/zinc/06/34/13/917063413.db2.gz UVAGGBYTFDJTFM-GFCCVEGCSA-N 2 0 267.417 1.175 10 0 CDAERP CCC[NH+]1CC([C@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001485538207 917065075 /nfs/dbraw/zinc/06/50/75/917065075.db2.gz BNIXPVKUGCMCTP-GOEBONIOSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)=CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001485732359 917243995 /nfs/dbraw/zinc/24/39/95/917243995.db2.gz GJDMPFQXLINAAC-LSDHHAIUSA-N 2 0 281.444 1.921 10 0 CDAERP C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1=CC[NH+](C)CC1 ZINC001138157565 936481960 /nfs/dbraw/zinc/48/19/60/936481960.db2.gz NXBRPMCFSHEWHU-YDHLFZDLSA-N 2 0 279.428 1.483 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CCC2CC2)CC[N@@H+]1C ZINC001485877368 920542209 /nfs/dbraw/zinc/54/22/09/920542209.db2.gz LWYGYNPDXKCGPB-VNQPRFMTSA-N 2 0 295.471 1.953 10 0 CDAERP COCC[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001485922331 920580097 /nfs/dbraw/zinc/58/00/97/920580097.db2.gz JPXMHZGLQCMGJS-CYBMUJFWSA-N 2 0 287.448 1.047 10 0 CDAERP CC(C)[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001486092186 920690895 /nfs/dbraw/zinc/69/08/95/920690895.db2.gz MPIYQWFIIIJCEQ-ZIAGYGMSSA-N 2 0 269.433 1.706 10 0 CDAERP CC[C@@H](C)C[NH+]1CC([C@H](C)NC(=O)C[N@H+](C)C(C)C)C1 ZINC001409960457 921919672 /nfs/dbraw/zinc/91/96/72/921919672.db2.gz CJYNPPWAMLEFST-KGLIPLIRSA-N 2 0 283.460 1.809 10 0 CDAERP CC1CC[NH+](CC(=O)NC[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001413748298 936723586 /nfs/dbraw/zinc/72/35/86/936723586.db2.gz IVCKSBIKTIDEIE-OAHLLOKOSA-N 2 0 279.428 1.176 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)[C@H](C)CC[NH+](C)C)CC1 ZINC001140844702 936763848 /nfs/dbraw/zinc/76/38/48/936763848.db2.gz KZHTVZQXUWFYLA-KGLIPLIRSA-N 2 0 269.433 1.517 10 0 CDAERP CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001491068809 936850575 /nfs/dbraw/zinc/85/05/75/936850575.db2.gz BPRCWXYTTVCHMX-GASCZTMLSA-N 2 0 293.455 1.899 10 0 CDAERP Cc1ccc(NC(=O)CN2CC[C@@H](C[NH3+])[C@H](C)C2)c(F)c1 ZINC000923502290 923880842 /nfs/dbraw/zinc/88/08/42/923880842.db2.gz AZYDXKXFHBZXRG-OLZOCXBDSA-N 2 0 293.386 1.989 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCOCC)[C@@H](C)C1 ZINC001568368423 1169263381 /nfs/dbraw/zinc/26/33/81/1169263381.db2.gz FZHTWENYQWGADN-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP CC[NH+]1CCN(CC(C)(C)[NH2+]CCC[C@@H](C)O)CC1 ZINC001195235415 924497360 /nfs/dbraw/zinc/49/73/60/924497360.db2.gz YROCPOAACSRWIQ-CQSZACIVSA-N 2 0 271.449 1.153 10 0 CDAERP c1cn2c(cccc2CNCCC[NH+]2CCCC2)n1 ZINC001199038004 925593757 /nfs/dbraw/zinc/59/37/57/925593757.db2.gz IQUHVNOWTQYEMB-UHFFFAOYSA-N 2 0 258.369 1.910 10 0 CDAERP CC[N@@H+]1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH+](C)C[C@@H]23)[C@H](C)C1 ZINC001414731774 925844570 /nfs/dbraw/zinc/84/45/70/925844570.db2.gz XAWJXEABHIFQQB-KBUPBQIOSA-N 2 0 294.443 1.062 10 0 CDAERP C[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)CN1C(=O)CC[NH+](C)C ZINC001410841597 926656447 /nfs/dbraw/zinc/65/64/47/926656447.db2.gz BYHBRYWCXHMOSU-ZFWWWQNUSA-N 2 0 295.471 1.953 10 0 CDAERP CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001488966075 926763312 /nfs/dbraw/zinc/76/33/12/926763312.db2.gz NAJPQXPCCYSSML-RRFJBIMHSA-N 2 0 281.444 1.613 10 0 CDAERP CC[N@H+](CCF)CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001490348949 927103365 /nfs/dbraw/zinc/10/33/65/927103365.db2.gz KYAUUTNAKYKJAE-UHFFFAOYSA-N 2 0 287.423 1.516 10 0 CDAERP CC[N@H+](CCO)CCCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001490349298 927106343 /nfs/dbraw/zinc/10/63/43/927106343.db2.gz SZOWXPNGHFXYPS-OAHLLOKOSA-N 2 0 299.459 1.070 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccnc(F)c1C ZINC000862295776 929398358 /nfs/dbraw/zinc/39/83/58/929398358.db2.gz ASBKOLOVTGRQJL-CQSZACIVSA-N 2 0 283.391 1.976 10 0 CDAERP CCOC(=O)C1=CC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000863544336 929566336 /nfs/dbraw/zinc/56/63/36/929566336.db2.gz QUSOLLATXJREAQ-UPJWGTAASA-N 2 0 252.358 1.498 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC1CC1 ZINC001274411961 931497857 /nfs/dbraw/zinc/49/78/57/931497857.db2.gz BVNNGEGGOQEPCH-DWTRPJMMSA-N 2 0 293.455 1.921 10 0 CDAERP CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001275525948 931856166 /nfs/dbraw/zinc/85/61/66/931856166.db2.gz BRWYFTPKSTUXOC-QWHCGFSZSA-N 2 0 255.406 1.221 10 0 CDAERP CC[C@H](F)C[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001447771072 932093146 /nfs/dbraw/zinc/09/31/46/932093146.db2.gz RBAABTBHKFWBBM-GJZGRUSLSA-N 2 0 299.434 1.753 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001412529226 932468964 /nfs/dbraw/zinc/46/89/64/932468964.db2.gz QPBNZUPUCFRQAW-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC001412548113 932492271 /nfs/dbraw/zinc/49/22/71/932492271.db2.gz VNBBEIIOEMXFLQ-HOTGVXAUSA-N 2 0 293.455 1.707 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001412624595 932569225 /nfs/dbraw/zinc/56/92/25/932569225.db2.gz XDNRBEOQRVEURG-FZKCQIBNSA-N 2 0 293.455 1.802 10 0 CDAERP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925647039 932920629 /nfs/dbraw/zinc/92/06/29/932920629.db2.gz XEVLZEWNQIEBNR-FHUSYTEZSA-N 2 0 252.402 1.512 10 0 CDAERP CCN(C)C[C@@H](O)C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000691913184 933263683 /nfs/dbraw/zinc/26/36/83/933263683.db2.gz URPRFPLAAWKZQN-OAHLLOKOSA-N 2 0 283.460 1.107 10 0 CDAERP FC(F)(F)[C@H]1CC[N@H+](CC2CC[NH2+]CC2)CCO1 ZINC000687575217 934316526 /nfs/dbraw/zinc/31/65/26/934316526.db2.gz CDXRQCGRHCBXIM-LLVKDONJSA-N 2 0 266.307 1.639 10 0 CDAERP CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001412794494 934363033 /nfs/dbraw/zinc/36/30/33/934363033.db2.gz WHNTWLXIAYFNFI-JYJNAYRXSA-N 2 0 293.455 1.802 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)C1 ZINC001413519769 936122397 /nfs/dbraw/zinc/12/23/97/936122397.db2.gz JHQTVGQPARESRZ-FZKCQIBNSA-N 2 0 293.455 1.802 10 0 CDAERP C[C@H](CC[NH2+]Cc1ccccc1)NC(=O)C[NH+]1CCCC1 ZINC001568710142 1169441124 /nfs/dbraw/zinc/44/11/24/1169441124.db2.gz ISGDYHXAQAWCCU-OAHLLOKOSA-N 2 0 289.423 1.767 10 0 CDAERP CC[C@@]1(C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC[NH2+]C1 ZINC001329645685 940778172 /nfs/dbraw/zinc/77/81/72/940778172.db2.gz CTRMCSQBYABOID-SWLSCSKDSA-N 2 0 267.417 1.271 10 0 CDAERP O[C@H](C[NH2+]C[C@H]1CC2CCC1CC2)C[NH+]1CCCC1 ZINC000400137891 940843185 /nfs/dbraw/zinc/84/31/85/940843185.db2.gz QFTFBIIWSYLXOO-QDIHITRGSA-N 2 0 266.429 1.859 10 0 CDAERP C[NH+]1CCC2(CCC[N@H+](CC3=NOCC3)C2)CC1 ZINC001473426794 970794425 /nfs/dbraw/zinc/79/44/25/970794425.db2.gz JXAQDSRLBWDHTA-UHFFFAOYSA-N 2 0 251.374 1.571 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001277087898 941934307 /nfs/dbraw/zinc/93/43/07/941934307.db2.gz SOZSTUGIFGAYKH-SHTZXODSSA-N 2 0 281.444 1.613 10 0 CDAERP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001277317326 942345438 /nfs/dbraw/zinc/34/54/38/942345438.db2.gz YSSLOMZVOGEHKA-AGUYFDCRSA-N 2 0 267.417 1.460 10 0 CDAERP CCOCC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)CC1 ZINC001280776450 942485108 /nfs/dbraw/zinc/48/51/08/942485108.db2.gz JJBDTRFONHHPTL-HNNXBMFYSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)C[N@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001281957373 942637418 /nfs/dbraw/zinc/63/74/18/942637418.db2.gz QWUHGIBINVQYBR-CQSZACIVSA-N 2 0 269.433 1.517 10 0 CDAERP CCC[NH2+]CC1CC(NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001282065777 942653617 /nfs/dbraw/zinc/65/36/17/942653617.db2.gz AQZMMHBSQSTMPH-RUXDESIVSA-N 2 0 269.433 1.467 10 0 CDAERP C[C@@H]([NH2+]CCCF)[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001282210043 942678559 /nfs/dbraw/zinc/67/85/59/942678559.db2.gz YDLIPECDBXEDET-KGLIPLIRSA-N 2 0 287.423 1.561 10 0 CDAERP CC[NH+](CC)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001362133022 970927062 /nfs/dbraw/zinc/92/70/62/970927062.db2.gz GDXLQUXDXQHRIN-UKRRQHHQSA-N 2 0 281.444 1.659 10 0 CDAERP CCC[NH2+]CCN(CC)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001568799572 1169481034 /nfs/dbraw/zinc/48/10/34/1169481034.db2.gz JXVISBQPEKLPAY-OKILXGFUSA-N 2 0 269.433 1.707 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CCCF ZINC001283623076 942950728 /nfs/dbraw/zinc/95/07/28/942950728.db2.gz UNCQDKUDYYOFRB-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001277621521 943154390 /nfs/dbraw/zinc/15/43/90/943154390.db2.gz BPWXFRDIPFFOFU-HZPDHXFCSA-N 2 0 293.455 1.873 10 0 CDAERP CC(C)C[N@H+]1CC=C(CNC(=O)CC[NH+](C)C)CC1 ZINC001284959288 943301432 /nfs/dbraw/zinc/30/14/32/943301432.db2.gz HWBZYMOBIVQODG-UHFFFAOYSA-N 2 0 267.417 1.342 10 0 CDAERP CCC[N@H+]1CC=C(CNC(=O)C[NH+](C)C(C)C)CC1 ZINC001284994398 943308966 /nfs/dbraw/zinc/30/89/66/943308966.db2.gz GHCBIIVDUZDSSP-UHFFFAOYSA-N 2 0 267.417 1.485 10 0 CDAERP CCC[NH2+][C@H](C)CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001277853384 943823135 /nfs/dbraw/zinc/82/31/35/943823135.db2.gz FBTIOFXZEXUVNR-KGLIPLIRSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)N(C)CC[NH+]2CCCC2)CC1 ZINC001362218459 971029307 /nfs/dbraw/zinc/02/93/07/971029307.db2.gz DKVRHPZKLRAMLV-UHFFFAOYSA-N 2 0 295.471 1.909 10 0 CDAERP CC(C)[N@H+](C)CCOCCN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001264110361 944079831 /nfs/dbraw/zinc/07/98/31/944079831.db2.gz VKWIRQNDOBZJLT-HNNXBMFYSA-N 2 0 299.459 1.143 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCCCCF)C1 ZINC001264427689 944134569 /nfs/dbraw/zinc/13/45/69/944134569.db2.gz BLWDPGULEHMALR-RBSFLKMASA-N 2 0 299.434 1.705 10 0 CDAERP C[C@H](O)CCC[NH2+]C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001265681636 944467988 /nfs/dbraw/zinc/46/79/88/944467988.db2.gz DRVQYCTUGNRZFN-GJZGRUSLSA-N 2 0 299.459 1.070 10 0 CDAERP CC[NH2+]C1CCC(NC(=O)CCCC[NH+](C)C)CC1 ZINC001265743441 944485633 /nfs/dbraw/zinc/48/56/33/944485633.db2.gz PQCLWUIESGRJPV-UHFFFAOYSA-N 2 0 269.433 1.755 10 0 CDAERP CCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001265923014 944574965 /nfs/dbraw/zinc/57/49/65/944574965.db2.gz DZJZQLVIIHHNSQ-LSDHHAIUSA-N 2 0 281.444 1.851 10 0 CDAERP CC[NH+](CC)CC[C@@H](CO)NC(=O)C1([NH+](C)C)CCCC1 ZINC001362399716 971228336 /nfs/dbraw/zinc/22/83/36/971228336.db2.gz RVKIDCPARJZVID-AWEZNQCLSA-N 2 0 299.459 1.070 10 0 CDAERP CC1(C)C[C@@H]([NH2+][C@H]2CCCC[C@@H]2C[NH3+])C[C@@H]([NH3+])C1 ZINC001262202185 946516753 /nfs/dbraw/zinc/51/67/53/946516753.db2.gz PBZHAZFIQWPASM-MQYQWHSLSA-N 3 0 253.434 2.000 10 0 CDAERP CN(C[C@@H]1CC[N@@H+]1CC1=CCCCC1)C(=O)CC[NH+](C)C ZINC001479242118 971272825 /nfs/dbraw/zinc/27/28/25/971272825.db2.gz HVNLRPVSDJIHRA-INIZCTEOSA-N 2 0 293.455 1.971 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH+](CC)CCO)C1 ZINC001479661967 971361489 /nfs/dbraw/zinc/36/14/89/971361489.db2.gz VKRBCMLCRUJWRX-OAHLLOKOSA-N 2 0 299.459 1.024 10 0 CDAERP CC[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001479776598 971412767 /nfs/dbraw/zinc/41/27/67/971412767.db2.gz ZCAPRIKOHMEVSH-OAHLLOKOSA-N 2 0 281.444 1.851 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)[C@H]1C ZINC001278527078 949739297 /nfs/dbraw/zinc/73/92/97/949739297.db2.gz OYVUAJANHDDTGM-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP C[C@H](C(=O)N1CC[NH2+][C@H](Cc2ccccc2)C1)n1ccnc1 ZINC001362774022 971608625 /nfs/dbraw/zinc/60/86/25/971608625.db2.gz SLBIXOSERSWQKW-GDBMZVCRSA-N 2 0 298.390 1.487 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]CCCF)C2)CCC1 ZINC001480208111 971628884 /nfs/dbraw/zinc/62/88/84/971628884.db2.gz NVXVHOCVVNCRBM-TXEJJXNPSA-N 2 0 271.380 1.067 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001480236263 971641613 /nfs/dbraw/zinc/64/16/13/971641613.db2.gz JPZDVNVAMCFXGX-AYDFFVQHSA-N 2 0 297.418 1.457 10 0 CDAERP CC(C)[NH2+]C[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001480305234 971663509 /nfs/dbraw/zinc/66/35/09/971663509.db2.gz ANFHTCMWYVMUAN-CQSZACIVSA-N 2 0 269.433 1.563 10 0 CDAERP CCCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001480765501 971869909 /nfs/dbraw/zinc/86/99/09/971869909.db2.gz LTCLWUYNSURABS-MGPQQGTHSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC001363107468 971893432 /nfs/dbraw/zinc/89/34/32/971893432.db2.gz MHUPKXNJPLILOQ-DOTOQJQBSA-N 2 0 293.455 1.661 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N[C@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC001363492100 953376235 /nfs/dbraw/zinc/37/62/35/953376235.db2.gz WJZKXTKSGPPRJT-HZSPNIEDSA-N 2 0 281.444 1.563 10 0 CDAERP C[NH+](C)Cc1cccc(C(=O)N[C@H]2C[N@H+](C)CC2(C)C)c1 ZINC001363621299 953559954 /nfs/dbraw/zinc/55/99/54/953559954.db2.gz UZEUGYWCSKCWBD-HNNXBMFYSA-N 2 0 289.423 1.818 10 0 CDAERP CC1CC[NH+](CCCNC(=O)CC[N@@H+]2CC[C@@H](F)C2)CC1 ZINC001290255897 954035807 /nfs/dbraw/zinc/03/58/07/954035807.db2.gz JWOAMZFRAHWMGA-OAHLLOKOSA-N 2 0 299.434 1.659 10 0 CDAERP CC(C)=CC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001326913424 954617445 /nfs/dbraw/zinc/61/74/45/954617445.db2.gz LHWDURBBGZATHR-HNNXBMFYSA-N 2 0 293.455 1.923 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)N2CCC([NH+]3CCC3)CC2)C1 ZINC001363289499 972055914 /nfs/dbraw/zinc/05/59/14/972055914.db2.gz YYZKPGVBORZHJV-HOCLYGCPSA-N 2 0 293.455 1.804 10 0 CDAERP COC(=O)c1cccc(C[NH2+]CC[C@@H]([NH3+])C(C)C)c1 ZINC001327983372 955147068 /nfs/dbraw/zinc/14/70/68/955147068.db2.gz BXTCHISHTDOIAQ-CQSZACIVSA-N 2 0 264.369 1.936 10 0 CDAERP C[C@H]([NH2+]C/C=C\Cl)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001421522743 955387090 /nfs/dbraw/zinc/38/70/90/955387090.db2.gz KWHHGSYPFKUJNF-CZESERPMSA-N 2 0 287.835 1.517 10 0 CDAERP CCCCC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001491748390 955404298 /nfs/dbraw/zinc/40/42/98/955404298.db2.gz QTAFDAVKRKISCT-AWEZNQCLSA-N 2 0 269.433 1.709 10 0 CDAERP CC(C)CC[N@H+]1C[C@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@H]2C1 ZINC001421572510 955414128 /nfs/dbraw/zinc/41/41/28/955414128.db2.gz KMLGDCKYFVUVEO-IYBDPMFKSA-N 2 0 295.471 1.763 10 0 CDAERP CCC(CC)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001491855778 955469672 /nfs/dbraw/zinc/46/96/72/955469672.db2.gz HBWYTQVVUDSFAV-CVEARBPZSA-N 2 0 295.471 1.812 10 0 CDAERP CN(CC[NH+]1CCCCC1)C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC001328846206 955510067 /nfs/dbraw/zinc/51/00/67/955510067.db2.gz LUSSGWGBAKHNKE-UONOGXRCSA-N 2 0 267.417 1.448 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccsc1 ZINC001421765162 955532522 /nfs/dbraw/zinc/53/25/22/955532522.db2.gz FABSVNQZENUFID-GXTWGEPZSA-N 2 0 295.452 1.542 10 0 CDAERP CCCCC[NH2+][C@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001492112464 955631987 /nfs/dbraw/zinc/63/19/87/955631987.db2.gz BNIVJBOGSOEFEV-CQSZACIVSA-N 2 0 281.444 1.757 10 0 CDAERP CC(C)C[NH2+][C@H](C)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001329113139 955694728 /nfs/dbraw/zinc/69/47/28/955694728.db2.gz WCKJEUSIJVEVMG-OLZOCXBDSA-N 2 0 269.433 1.467 10 0 CDAERP [NH3+][C@H]1CCCC[C@H]1C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC001329518845 955962823 /nfs/dbraw/zinc/96/28/23/955962823.db2.gz CMSAIMMKDLEPAR-OLZOCXBDSA-N 2 0 265.401 1.106 10 0 CDAERP CC[C@H](C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001422855762 956408106 /nfs/dbraw/zinc/40/81/06/956408106.db2.gz KARLVVMUFQVUJO-YHUYYLMFSA-N 2 0 295.471 1.667 10 0 CDAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC(C)C)[C@@H]1CC)[NH+](C)C ZINC001365868035 956414569 /nfs/dbraw/zinc/41/45/69/956414569.db2.gz NLGIPHMJUNTBDZ-ZNMIVQPWSA-N 2 0 283.460 1.952 10 0 CDAERP C[C@@H](C[N@H+](C)CC1CCCC1)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001422881257 956421803 /nfs/dbraw/zinc/42/18/03/956421803.db2.gz WNMYEXKAUTURQT-CABCVRRESA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCC(C)C)C1)[NH+](C)C ZINC001365945410 956460930 /nfs/dbraw/zinc/46/09/30/956460930.db2.gz PXNWJSIXANGGAH-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CCCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001330577289 956491329 /nfs/dbraw/zinc/49/13/29/956491329.db2.gz KOPVULZBAFWJBC-KKUMJFAQSA-N 2 0 281.444 1.755 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]CCC1CC1)C1CC1 ZINC001366048146 956531070 /nfs/dbraw/zinc/53/10/70/956531070.db2.gz ZOQSGMOROJYEQD-JKSUJKDBSA-N 2 0 293.455 1.755 10 0 CDAERP C[C@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CC1CC1 ZINC001423045318 956534878 /nfs/dbraw/zinc/53/48/78/956534878.db2.gz BGMWOXVSEBRUEL-DOMZBBRYSA-N 2 0 279.428 1.175 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001366116628 956580422 /nfs/dbraw/zinc/58/04/22/956580422.db2.gz XDUHYHWGNQKCKU-MGPQQGTHSA-N 2 0 281.444 1.754 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1CCCC1 ZINC001423535824 956833484 /nfs/dbraw/zinc/83/34/84/956833484.db2.gz XSFUCPSSMOMRHX-ZFWWWQNUSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH+](CCF)C2CC2)C1 ZINC001316923421 957129312 /nfs/dbraw/zinc/12/93/12/957129312.db2.gz GXICCNWFUMNDLQ-CYBMUJFWSA-N 2 0 285.407 1.268 10 0 CDAERP CCC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)CC1CC1 ZINC001366733333 957151864 /nfs/dbraw/zinc/15/18/64/957151864.db2.gz JOJBCCWTAVCIOD-UHFFFAOYSA-N 2 0 279.428 1.320 10 0 CDAERP C[N@H+](CCF)C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001366883628 957244886 /nfs/dbraw/zinc/24/48/86/957244886.db2.gz UTLXNMYBSZZGAF-GJZGRUSLSA-N 2 0 299.434 1.611 10 0 CDAERP CC[C@H](C(=O)NCC1C[NH+](CC2CC(C)(C)C2)C1)[NH+](C)C ZINC001366980573 957315336 /nfs/dbraw/zinc/31/53/36/957315336.db2.gz AVTGATGXICTBOO-OAHLLOKOSA-N 2 0 295.471 1.811 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001367017156 957339708 /nfs/dbraw/zinc/33/97/08/957339708.db2.gz DEJVKOKBYIQCGP-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP CCCCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H]1C ZINC001331939936 957350382 /nfs/dbraw/zinc/35/03/82/957350382.db2.gz OKUSZCFPCMAMPN-HUUCEWRRSA-N 2 0 281.444 1.851 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC[C@@H]2CCCO2)C1 ZINC001367040251 957361065 /nfs/dbraw/zinc/36/10/65/957361065.db2.gz YCYKPNHTXDWCPF-CABCVRRESA-N 2 0 297.443 1.086 10 0 CDAERP CC/C=C/CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001317261336 957388473 /nfs/dbraw/zinc/38/84/73/957388473.db2.gz HAXIQSSXEVETFR-WHJWBVKISA-N 2 0 281.444 1.921 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]CCCF)CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001332031480 957407328 /nfs/dbraw/zinc/40/73/28/957407328.db2.gz YCQXEEDMXKFTMB-CHWSQXEVSA-N 2 0 285.407 1.267 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CCC(C)C)C1 ZINC001317338312 957429131 /nfs/dbraw/zinc/42/91/31/957429131.db2.gz GBJCDYSOMGKQLA-HNNXBMFYSA-N 2 0 283.460 1.812 10 0 CDAERP CC[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001332110082 957437278 /nfs/dbraw/zinc/43/72/78/957437278.db2.gz IGBBXLSWHGHFMY-JSGCOSHPSA-N 2 0 253.390 1.071 10 0 CDAERP CCOCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001317380152 957442678 /nfs/dbraw/zinc/44/26/78/957442678.db2.gz ZLAMYCNKENKGMW-LSDHHAIUSA-N 2 0 297.443 1.040 10 0 CDAERP CC[C@@H](C)C[N@H+](C)[C@@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001425090661 957467885 /nfs/dbraw/zinc/46/78/85/957467885.db2.gz WODSCEQLFZIGEP-KGLIPLIRSA-N 2 0 271.449 1.809 10 0 CDAERP CC(C)C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001317590172 957587594 /nfs/dbraw/zinc/58/75/94/957587594.db2.gz WMRLDACJBHATHC-CHWSQXEVSA-N 2 0 255.406 1.031 10 0 CDAERP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1nccs1 ZINC001367135307 957700253 /nfs/dbraw/zinc/70/02/53/957700253.db2.gz DABQOFMFHZSJGQ-LBPRGKRZSA-N 2 0 296.440 1.223 10 0 CDAERP CCC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001332899711 957926777 /nfs/dbraw/zinc/92/67/77/957926777.db2.gz QWUMRBKOURXYSM-QWHCGFSZSA-N 2 0 269.433 1.469 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]CCOC)C1 ZINC001333151690 958112278 /nfs/dbraw/zinc/11/22/78/958112278.db2.gz BIHDYKBPKSLYAL-NRXISQOPSA-N 2 0 297.443 1.086 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC=C(C)C ZINC001318561202 958174441 /nfs/dbraw/zinc/17/44/41/958174441.db2.gz GSNTWKKUWGCYQX-GJZGRUSLSA-N 2 0 281.444 1.921 10 0 CDAERP CC(C)[C@H](C(=O)NCC1=CCN(CCF)CC1)[NH+](C)C ZINC001333398637 958309160 /nfs/dbraw/zinc/30/91/60/958309160.db2.gz CYZKIUCITYDYBM-CQSZACIVSA-N 2 0 285.407 1.290 10 0 CDAERP CCN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](CCCF)C1 ZINC001494924216 972336246 /nfs/dbraw/zinc/33/62/46/972336246.db2.gz JAGIHJPAANIZBN-AWEZNQCLSA-N 2 0 285.407 1.365 10 0 CDAERP C[C@@H](C[N@H+](C)CC1CCCC1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001367858042 958440565 /nfs/dbraw/zinc/44/05/65/958440565.db2.gz RLCDRBASUQFAME-DZGCQCFKSA-N 2 0 281.444 1.565 10 0 CDAERP COCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001319541318 958618514 /nfs/dbraw/zinc/61/85/14/958618514.db2.gz SJRSZIOFEVOYJU-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]CC1CC1 ZINC001494988802 972367437 /nfs/dbraw/zinc/36/74/37/972367437.db2.gz MKSKPSGMRGZAKM-CABCVRRESA-N 2 0 281.444 1.755 10 0 CDAERP CCCC[NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001319955932 958813130 /nfs/dbraw/zinc/81/31/30/958813130.db2.gz HFOMAWJIENVZNQ-CQSZACIVSA-N 2 0 281.444 1.613 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCC1CC1 ZINC001368396808 958815360 /nfs/dbraw/zinc/81/53/60/958815360.db2.gz NDVIXPVLPXKMAW-JKSUJKDBSA-N 2 0 293.455 1.804 10 0 CDAERP CC(C)[NH2+]CC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001320517561 959216285 /nfs/dbraw/zinc/21/62/85/959216285.db2.gz LSHWHIXRHZEHGB-CYBMUJFWSA-N 2 0 269.433 1.754 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@H]1CCCCC[N@@H+]1CCF ZINC001369082202 959413755 /nfs/dbraw/zinc/41/37/55/959413755.db2.gz ZJGMDJNYCNROMB-CYBMUJFWSA-N 2 0 273.396 1.268 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001369176541 959502614 /nfs/dbraw/zinc/50/26/14/959502614.db2.gz DARZEYFEVGGZLV-XUXIUFHCSA-N 2 0 285.407 1.171 10 0 CDAERP C[NH+](C)CCC(=O)NC1(C[NH2+]C/C=C\Cl)CCCC1 ZINC001495188004 972435563 /nfs/dbraw/zinc/43/55/63/972435563.db2.gz VAKDYWPIGYMXGM-UITAMQMPSA-N 2 0 287.835 1.709 10 0 CDAERP CC[C@@H](C[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)OC ZINC001321067525 959572045 /nfs/dbraw/zinc/57/20/45/959572045.db2.gz WUITXPAMUDBVCX-VNOZKIMMSA-N 2 0 297.443 1.014 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CCF ZINC001369270333 959592797 /nfs/dbraw/zinc/59/27/97/959592797.db2.gz QSMIHXAJCWONIK-AVGNSLFASA-N 2 0 273.396 1.123 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]C/C=C/Cl)C(C)(C)C1 ZINC001369449417 959689650 /nfs/dbraw/zinc/68/96/50/959689650.db2.gz SIEZEFFQIJUSNE-JOVKLMRISA-N 2 0 299.846 1.660 10 0 CDAERP C[C@@H](C(=O)NC/C=C\C[NH2+]CC1CC1)[NH+]1CCCCCC1 ZINC001321282156 959696051 /nfs/dbraw/zinc/69/60/51/959696051.db2.gz VHFQAIIFQNPTIZ-XVWMLYKFSA-N 2 0 293.455 1.923 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)C[NH2+]C(C)(C)C)CC1 ZINC001321475341 959807885 /nfs/dbraw/zinc/80/78/85/959807885.db2.gz GKOHHOXPKMKSAT-UHFFFAOYSA-N 2 0 269.433 1.613 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCC1CC1 ZINC001321757142 959936032 /nfs/dbraw/zinc/93/60/32/959936032.db2.gz WLJQYVMEXPAQIJ-HIFRSBDPSA-N 2 0 281.444 1.755 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CCC1CC1 ZINC001321865569 959991366 /nfs/dbraw/zinc/99/13/66/959991366.db2.gz HANPNNTVWBHCIX-DZGCQCFKSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H](C[NH2+]CCCCCF)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001321899173 960009975 /nfs/dbraw/zinc/00/99/75/960009975.db2.gz WWBKNFWOPDCHPC-KBPBESRZSA-N 2 0 287.423 1.705 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H](C)C[N@@H+](C)CC ZINC001322169506 960119114 /nfs/dbraw/zinc/11/91/14/960119114.db2.gz PUUDTATUPFJGFP-RYUDHWBXSA-N 2 0 261.385 1.123 10 0 CDAERP CCC[NH2+]CCC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001495429570 972497528 /nfs/dbraw/zinc/49/75/28/972497528.db2.gz YDWMHQLYXIDJQW-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP CC[NH2+]CCC1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001495434340 972500278 /nfs/dbraw/zinc/50/02/78/972500278.db2.gz HAJBXAPIWQQMAY-UHFFFAOYSA-N 2 0 283.460 1.957 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N[C@@H](C[NH2+]C/C=C/Cl)C2CC2)C1 ZINC001323092587 960446337 /nfs/dbraw/zinc/44/63/37/960446337.db2.gz APEXWGUWTMETCX-NPXAJTFRSA-N 2 0 299.846 1.565 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)CC[NH+]2CC[C@@H](F)C2)CC[N@@H+]1C ZINC001433746915 960581675 /nfs/dbraw/zinc/58/16/75/960581675.db2.gz RFFKIQNGNOMJQI-JHJVBQTASA-N 2 0 271.380 1.019 10 0 CDAERP O=C(NCC1([NH2+]CCCF)CC1)[C@@H]1CCn2ccnc2C1 ZINC001323480422 960763000 /nfs/dbraw/zinc/76/30/00/960763000.db2.gz UCSRCWRFYLMATG-GFCCVEGCSA-N 2 0 294.374 1.044 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001418648316 960844057 /nfs/dbraw/zinc/84/40/57/960844057.db2.gz MJSZCPCWWLTALE-YIYPIFLZSA-N 2 0 285.407 1.313 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001418915787 961157057 /nfs/dbraw/zinc/15/70/57/961157057.db2.gz AUOQDXUNZMKJCT-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccsc1 ZINC001419284720 961579734 /nfs/dbraw/zinc/57/97/34/961579734.db2.gz MYRTZQMHNDZKSH-AWEZNQCLSA-N 2 0 295.452 1.828 10 0 CDAERP CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]CC[C@@H](C)F)C1)[NH+](C)C ZINC001419375970 961638773 /nfs/dbraw/zinc/63/87/73/961638773.db2.gz QLJCTKGXOQETSK-HZSPNIEDSA-N 2 0 287.423 1.511 10 0 CDAERP CC[C@H](C[NH2+][C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1)OC ZINC001419386374 961647445 /nfs/dbraw/zinc/64/74/45/961647445.db2.gz RWEOQGALPMMIIQ-RBSFLKMASA-N 2 0 299.459 1.380 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC001419492717 961760280 /nfs/dbraw/zinc/76/02/80/961760280.db2.gz UOSPDVXLDBQULD-JKJDWNRSSA-N 2 0 293.455 1.611 10 0 CDAERP CC[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1cncs1)[NH+](C)C ZINC001419530995 961790575 /nfs/dbraw/zinc/79/05/75/961790575.db2.gz UACDHURSNHMHLC-YPMHNXCESA-N 2 0 298.456 1.325 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+]Cc1cscn1 ZINC001419542728 961799991 /nfs/dbraw/zinc/79/99/91/961799991.db2.gz UHZIKXDBFWJTKN-GFCCVEGCSA-N 2 0 298.456 1.325 10 0 CDAERP CC[C@H](C)C[N@@H+]1CCO[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001419570357 961823372 /nfs/dbraw/zinc/82/33/72/961823372.db2.gz SHLHGISGZZUGBZ-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CC[C@H](C)F ZINC001419764917 962087356 /nfs/dbraw/zinc/08/73/56/962087356.db2.gz BVLCYEXIGNNTIQ-UONOGXRCSA-N 2 0 299.434 1.705 10 0 CDAERP CC(C)C[C@H](C[NH2+]CC1CC1)NC(=O)C[NH+]1CCCC1 ZINC001419785366 962106088 /nfs/dbraw/zinc/10/60/88/962106088.db2.gz BJSPWXYDZRSZMK-OAHLLOKOSA-N 2 0 281.444 1.613 10 0 CDAERP CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001436332439 962188837 /nfs/dbraw/zinc/18/88/37/962188837.db2.gz ZINLMJIERHJVTF-LSDHHAIUSA-N 2 0 281.444 1.661 10 0 CDAERP CC[C@H](C(=O)N1CC[C@H]([NH2+]CCF)C1)[NH+](CC)CC ZINC001419967702 962308720 /nfs/dbraw/zinc/30/87/20/962308720.db2.gz DXAPGXQUKVCLIQ-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001436829896 962444310 /nfs/dbraw/zinc/44/43/10/962444310.db2.gz SCZXCBNEYLJVLK-UKRRQHHQSA-N 2 0 281.444 1.613 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001436958037 962525664 /nfs/dbraw/zinc/52/56/64/962525664.db2.gz FZPRLMCQJJDUPS-APIJFGDWSA-N 2 0 281.444 1.754 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2)C1)[NH+](C)C ZINC001436961086 962526848 /nfs/dbraw/zinc/52/68/48/962526848.db2.gz SYTLANPRADWBOJ-OWCLPIDISA-N 2 0 289.423 1.764 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H]1CCC[NH+](C(C)C)C1 ZINC001437059068 962582725 /nfs/dbraw/zinc/58/27/25/962582725.db2.gz MLQMRYZBIWUVMG-LSDHHAIUSA-N 2 0 283.460 1.952 10 0 CDAERP CC(C)CC[N@H+](C)CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001420252993 962633222 /nfs/dbraw/zinc/63/32/22/962633222.db2.gz RXYPJIFEOFQQRR-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001437281873 962785397 /nfs/dbraw/zinc/78/53/97/962785397.db2.gz RYUMHPHJWGOFPF-HNNXBMFYSA-N 2 0 293.455 1.709 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001437481777 962942689 /nfs/dbraw/zinc/94/26/89/962942689.db2.gz FIQNQIXYDYSPIR-CQSZACIVSA-N 2 0 299.434 1.659 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+](CC)CCCF)CC[N@@H+]1C ZINC001437595884 963051958 /nfs/dbraw/zinc/05/19/58/963051958.db2.gz XZNWHHGTSFZACQ-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C1CC1 ZINC001420748340 963218639 /nfs/dbraw/zinc/21/86/39/963218639.db2.gz JSBLVIMEHLGFHG-GJZGRUSLSA-N 2 0 281.444 1.611 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC[C@@H]1CC[NH+](CCF)C1 ZINC001437931331 963243482 /nfs/dbraw/zinc/24/34/82/963243482.db2.gz LXRFVFWANUUOEB-HUUCEWRRSA-N 2 0 299.434 1.659 10 0 CDAERP C[N@H+](CCCF)C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001437989994 963270209 /nfs/dbraw/zinc/27/02/09/963270209.db2.gz NBOXCQOTYQQKRF-AWEZNQCLSA-N 2 0 285.407 1.222 10 0 CDAERP CC(C)[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001420953282 963383289 /nfs/dbraw/zinc/38/32/89/963383289.db2.gz KSCIRKRLAOZYIN-UONOGXRCSA-N 2 0 279.428 1.650 10 0 CDAERP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CCC(F)(F)F ZINC001438370927 963433217 /nfs/dbraw/zinc/43/32/17/963433217.db2.gz QUCHQLLWHJMYAB-LLVKDONJSA-N 2 0 295.349 1.519 10 0 CDAERP CC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)[NH2+]Cc1ocnc1C ZINC001438380855 963435434 /nfs/dbraw/zinc/43/54/34/963435434.db2.gz VEFRKCZJADSGMO-OLZOCXBDSA-N 2 0 296.415 1.308 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@@]2(C)CC[NH+](CCC3CC3)C2)C1 ZINC001421217008 963504120 /nfs/dbraw/zinc/50/41/20/963504120.db2.gz FXSADMLUJAWDJP-PBHICJAKSA-N 2 0 293.455 1.709 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001439226970 963683671 /nfs/dbraw/zinc/68/36/71/963683671.db2.gz SESFOWVWUHWYLJ-KBPBESRZSA-N 2 0 299.434 1.705 10 0 CDAERP CC[C@H](C)C[N@H+](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001439368232 963740466 /nfs/dbraw/zinc/74/04/66/963740466.db2.gz WYCUJFOARXWYOY-KBPBESRZSA-N 2 0 283.460 1.811 10 0 CDAERP CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CCC1 ZINC001440312443 963981564 /nfs/dbraw/zinc/98/15/64/963981564.db2.gz IEGYGBCDTYZIGK-KGLIPLIRSA-N 2 0 279.428 1.652 10 0 CDAERP O=C(C[NH+]1CCCC1)NCC1([NH2+]C/C=C/Cl)CCC1 ZINC001440352255 963996318 /nfs/dbraw/zinc/99/63/18/963996318.db2.gz KQADFRYQILNWIR-QPJJXVBHSA-N 2 0 285.819 1.463 10 0 CDAERP CC(C)C[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CCC1 ZINC001440357580 963998978 /nfs/dbraw/zinc/99/89/78/963998978.db2.gz PKJIYBNSNDCJKC-UHFFFAOYSA-N 2 0 279.428 1.367 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CCCCC[N@H+]1CCCF ZINC001441133142 964382357 /nfs/dbraw/zinc/38/23/57/964382357.db2.gz IEXBIDLAWZJQMS-HNNXBMFYSA-N 2 0 299.434 1.803 10 0 CDAERP CCCC[C@H](C[NH2+]CC(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001441137965 964382808 /nfs/dbraw/zinc/38/28/08/964382808.db2.gz POMJBHBKWMJSKI-LSDHHAIUSA-N 2 0 283.460 1.859 10 0 CDAERP CC[C@H](C[NH+]1CC([C@@H](C)NC(=O)C[N@H+](C)C(C)C)C1)OC ZINC001441205782 964413091 /nfs/dbraw/zinc/41/30/91/964413091.db2.gz JPYJTKVEYQSNRQ-UKRRQHHQSA-N 2 0 299.459 1.188 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001441364024 964475897 /nfs/dbraw/zinc/47/58/97/964475897.db2.gz JYDLYNJIPTZWBR-VGWMRTNUSA-N 2 0 295.471 1.859 10 0 CDAERP CC[NH2+][C@H](CCNC(=O)CCc1cncn1C)C(C)C ZINC001441411928 964503229 /nfs/dbraw/zinc/50/32/29/964503229.db2.gz AIUVJFNLTMLAGJ-CQSZACIVSA-N 2 0 280.416 1.493 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CC(C)C2)C1 ZINC001441524728 964573483 /nfs/dbraw/zinc/57/34/83/964573483.db2.gz YPZXGXYEIGHZKR-ZMYVRHLSSA-N 2 0 281.444 1.611 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001443274772 965424203 /nfs/dbraw/zinc/42/42/03/965424203.db2.gz SRCTWKWVSZZXRZ-HUUCEWRRSA-N 2 0 281.444 1.422 10 0 CDAERP Cc1cccnc1C[NH2+]C[C@H](C)CNC(=O)CC[NH+](C)C ZINC001444377522 965810922 /nfs/dbraw/zinc/81/09/22/965810922.db2.gz GHHRTEIMJVLMIW-ZDUSSCGKSA-N 2 0 292.427 1.184 10 0 CDAERP Cc1ncc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCC[N@@H+]2C)o1 ZINC001444577876 965882091 /nfs/dbraw/zinc/88/20/91/965882091.db2.gz BXNWDRVGCANXBE-BXUZGUMPSA-N 2 0 294.399 1.014 10 0 CDAERP Cc1ncc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCC[N@@H+]2C)o1 ZINC001444577883 965882267 /nfs/dbraw/zinc/88/22/67/965882267.db2.gz BXNWDRVGCANXBE-RISCZKNCSA-N 2 0 294.399 1.014 10 0 CDAERP CC[C@H](C)C[NH2+]C[C@@H](C)N(C)C(=O)CCN1CCOCC1 ZINC001444681393 965921960 /nfs/dbraw/zinc/92/19/60/965921960.db2.gz FVGXJVHTDYFFGL-LSDHHAIUSA-N 2 0 299.459 1.191 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@](C)(C[NH2+]CC2CCC2)C1 ZINC001446603803 966594660 /nfs/dbraw/zinc/59/46/60/966594660.db2.gz JGPDDLOYYKQCFG-MRXNPFEDSA-N 2 0 281.444 1.566 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C ZINC001447170694 966714731 /nfs/dbraw/zinc/71/47/31/966714731.db2.gz QEQCPHPVJMQCOW-SOUVJXGZSA-N 2 0 299.434 1.752 10 0 CDAERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H](C)[NH2+]CCC(F)(F)F ZINC001447944974 966935659 /nfs/dbraw/zinc/93/56/59/966935659.db2.gz YNAVSTQYXHQRFC-GHMZBOCLSA-N 2 0 295.349 1.517 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC1[C@H]2C[NH+](C/C=C\Cl)C[C@@H]12 ZINC001448444353 967113992 /nfs/dbraw/zinc/11/39/92/967113992.db2.gz DLEIWNDJAZMEQW-OAWCYKKTSA-N 2 0 299.846 1.373 10 0 CDAERP CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001448601641 967167702 /nfs/dbraw/zinc/16/77/02/967167702.db2.gz IHVZNWWFXBMEKU-LSDHHAIUSA-N 2 0 281.444 1.707 10 0 CDAERP CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)[NH2+]C(C)(C)CC)C1 ZINC001457412771 969158083 /nfs/dbraw/zinc/15/80/83/969158083.db2.gz JIFGWTSCXMNJAB-CHWSQXEVSA-N 2 0 269.433 1.706 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](C)CN2CCOCC2)C1 ZINC001459609200 969439906 /nfs/dbraw/zinc/43/99/06/969439906.db2.gz NCILALZLMBKDSY-IRXDYDNUSA-N 2 0 297.487 1.618 10 0 CDAERP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@@H]2CCCC[C@@H]2O)CC1 ZINC001460109455 969477006 /nfs/dbraw/zinc/47/70/06/969477006.db2.gz BWTFTNXUNZESGA-HOTGVXAUSA-N 2 0 298.471 1.610 10 0 CDAERP C[NH+](C)C1(CNC(=O)C2([NH+](C)C)CCCC2)CCC1 ZINC001466963940 970017060 /nfs/dbraw/zinc/01/70/60/970017060.db2.gz VOZVPEYPZQATBN-UHFFFAOYSA-N 2 0 267.417 1.461 10 0 CDAERP CNc1cc(CNC(=O)NCC[N@H+]2CC=CCC2)ccn1 ZINC001521342431 970286075 /nfs/dbraw/zinc/28/60/75/970286075.db2.gz HUADAKOCZXGWSH-UHFFFAOYSA-N 2 0 289.383 1.184 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)CC[NH+]2CC[C@H](F)C2)C1 ZINC001361693279 970428901 /nfs/dbraw/zinc/42/89/01/970428901.db2.gz QQHYOFPMICSIMU-CABCVRRESA-N 2 0 299.434 1.657 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)CC[N@@H+]2CC[C@@H](F)C2)CC1 ZINC001361931832 970687347 /nfs/dbraw/zinc/68/73/47/970687347.db2.gz JJWPPWANCRUGGV-CQSZACIVSA-N 2 0 299.434 1.801 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]CCC(F)(F)F ZINC001495576063 972542604 /nfs/dbraw/zinc/54/26/04/972542604.db2.gz OUCMUFVWYDHWGA-LLVKDONJSA-N 2 0 295.349 1.471 10 0 CDAERP CC1CCC(C[N@H+](C)CCNC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001372217826 972850312 /nfs/dbraw/zinc/85/03/12/972850312.db2.gz HQFTYCQUAFVGLU-GPANFISMSA-N 2 0 295.471 1.812 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)CC1CC1 ZINC001372361625 972932881 /nfs/dbraw/zinc/93/28/81/972932881.db2.gz QKODFQUAKMWIMA-HOTGVXAUSA-N 2 0 293.455 1.851 10 0 CDAERP CC[C@H](F)C[NH2+]CCN(CC)C(=O)C12CC[NH+](CC1)C2 ZINC001497486619 973364149 /nfs/dbraw/zinc/36/41/49/973364149.db2.gz ODKQDRRZLRBYDO-ZDUSSCGKSA-N 2 0 285.407 1.268 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001417781687 973382406 /nfs/dbraw/zinc/38/24/06/973382406.db2.gz MJSZCPCWWLTALE-SYQHCUMBSA-N 2 0 285.407 1.313 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCC[C@H](C)O)[C@@H]1C ZINC001417851728 973420116 /nfs/dbraw/zinc/42/01/16/973420116.db2.gz LYYDBEPZSWSBGX-ZNMIVQPWSA-N 2 0 299.459 1.068 10 0 CDAERP CC[C@@H](F)C[NH2+]CC1(NC(=O)Cc2c[nH]cn2)CCCC1 ZINC001373857525 973669807 /nfs/dbraw/zinc/66/98/07/973669807.db2.gz QUGRNVLSQNGOBQ-GFCCVEGCSA-N 2 0 296.390 1.719 10 0 CDAERP CC[NH2+]C[C@@](C)(NC(=O)CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001373881713 973677060 /nfs/dbraw/zinc/67/70/60/973677060.db2.gz SFAFPAFLAADECL-GDBMZVCRSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001418345128 973758858 /nfs/dbraw/zinc/75/88/58/973758858.db2.gz ROBKNFWRLJDBON-CABCVRRESA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]C[C@@H]1CCCCO1 ZINC001418433656 973822622 /nfs/dbraw/zinc/82/26/22/973822622.db2.gz SUCDPPJZULNSOC-GJZGRUSLSA-N 2 0 297.443 1.136 10 0 CDAERP C[C@@H](C[NH2+]Cc1ccns1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001374933747 974184254 /nfs/dbraw/zinc/18/42/54/974184254.db2.gz OJNSMXWUGGSMBA-RYUDHWBXSA-N 2 0 296.440 1.079 10 0 CDAERP C[C@H](CN(C)C/C=C/Cl)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001375036456 974235672 /nfs/dbraw/zinc/23/56/72/974235672.db2.gz INVARBWEDDYIJM-YJJAWEDRSA-N 2 0 299.846 1.517 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CC[NH+]1CC1CC1 ZINC001375317299 974330461 /nfs/dbraw/zinc/33/04/61/974330461.db2.gz FPJGXLOLXFHJSJ-GJZGRUSLSA-N 2 0 279.428 1.461 10 0 CDAERP O=C(NC[C@H]1C[C@H]([NH2+]C/C=C\Cl)C1)C12CC[NH+](CC1)C2 ZINC001375554439 974421028 /nfs/dbraw/zinc/42/10/28/974421028.db2.gz HSZLAURVOMNQIG-SOPPWIERSA-N 2 0 297.830 1.319 10 0 CDAERP CC(C)[NH2+]CC[C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001501619344 974609212 /nfs/dbraw/zinc/60/92/12/974609212.db2.gz SYIFCGCUEROFDH-GJZGRUSLSA-N 2 0 281.444 1.565 10 0 CDAERP CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001501651065 974617528 /nfs/dbraw/zinc/61/75/28/974617528.db2.gz LHOGBQWPWOYKSQ-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP COC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001376370518 974644054 /nfs/dbraw/zinc/64/40/54/974644054.db2.gz FQWMWJYLEIYIFC-AJNGGQMLSA-N 2 0 297.443 1.133 10 0 CDAERP CC[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCF)[NH+](C)C ZINC001376433573 974658008 /nfs/dbraw/zinc/65/80/08/974658008.db2.gz XHFBXQAOYSYOGK-DKUMPPAJSA-N 2 0 299.434 1.798 10 0 CDAERP CC[C@@H](C[NH2+][C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1)OC ZINC001376780405 974765758 /nfs/dbraw/zinc/76/57/58/974765758.db2.gz AVKPMTJKIYNCFT-KGLIPLIRSA-N 2 0 299.459 1.380 10 0 CDAERP CC[C@H](F)C[NH2+][C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001376790621 974769759 /nfs/dbraw/zinc/76/97/59/974769759.db2.gz IFAOTDSJOKIXSM-RYUDHWBXSA-N 2 0 273.396 1.171 10 0 CDAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1cncs1 ZINC001376796939 974772821 /nfs/dbraw/zinc/77/28/21/974772821.db2.gz CSHVERNXOJAVIW-RYUDHWBXSA-N 2 0 296.440 1.079 10 0 CDAERP CC[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1nccs1)[NH+](C)C ZINC001377094447 974881587 /nfs/dbraw/zinc/88/15/87/974881587.db2.gz BTZSVGKVBNMNNV-VXGBXAGGSA-N 2 0 298.456 1.468 10 0 CDAERP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]CC[C@H](C)F ZINC001377105352 974882605 /nfs/dbraw/zinc/88/26/05/974882605.db2.gz IASZQADLVISGHN-QWHCGFSZSA-N 2 0 273.396 1.315 10 0 CDAERP C[N@H+](CCNC(=O)C[NH+]1CCCC1)CC1CC(C)(C)C1 ZINC001377260126 974948649 /nfs/dbraw/zinc/94/86/49/974948649.db2.gz HXSLHNHHDNINLO-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP Cc1ncccc1C[NH2+][C@@H](C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001505687026 974963541 /nfs/dbraw/zinc/96/35/41/974963541.db2.gz YBCYSSSYORELHB-STQMWFEESA-N 2 0 292.427 1.325 10 0 CDAERP CC(C)CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001505757930 974983402 /nfs/dbraw/zinc/98/34/02/974983402.db2.gz XGNPKFIEOBWOFD-UONOGXRCSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@@H](CCNC(=O)CC[NH+](C)C)[NH2+]Cc1ccccn1 ZINC001377485666 975048573 /nfs/dbraw/zinc/04/85/73/975048573.db2.gz PATIBJMYDYJSTO-ZDUSSCGKSA-N 2 0 278.400 1.018 10 0 CDAERP CC(C)=CC[NH+]1CC([C@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001506646944 975196201 /nfs/dbraw/zinc/19/62/01/975196201.db2.gz DCOGKETWQHSMEI-AWEZNQCLSA-N 2 0 281.444 1.731 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001378069106 975228216 /nfs/dbraw/zinc/22/82/16/975228216.db2.gz YLADKIVUJZNBCW-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CCOC)C1 ZINC001507111390 975340898 /nfs/dbraw/zinc/34/08/98/975340898.db2.gz DALRFNIBERDNEX-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@@](C)(C[NH2+]CC2CC2)C2CC2)C1 ZINC001378409721 975346650 /nfs/dbraw/zinc/34/66/50/975346650.db2.gz MGAFOAUCCHUVPV-DYVFJYSZSA-N 2 0 293.455 1.613 10 0 CDAERP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]C/C=C/Cl ZINC001507156594 975358260 /nfs/dbraw/zinc/35/82/60/975358260.db2.gz ZFIDEBYKSLXXEN-FYJFLYSWSA-N 2 0 273.808 1.271 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001507327894 975417389 /nfs/dbraw/zinc/41/73/89/975417389.db2.gz LONPNTDLSVQESN-KGLIPLIRSA-N 2 0 279.428 1.461 10 0 CDAERP CC[C@H](F)CN1CCC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001404666876 975452267 /nfs/dbraw/zinc/45/22/67/975452267.db2.gz IIJNSJQASFEZJV-MJBXVCDLSA-N 2 0 287.423 1.655 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)CC)CC[N@@H+]1C[C@@H](C)OC ZINC001397193439 975495140 /nfs/dbraw/zinc/49/51/40/975495140.db2.gz NLEQTMVIKUAGIZ-QLFBSQMISA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)[NH+]1CC(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001404908037 975536882 /nfs/dbraw/zinc/53/68/82/975536882.db2.gz PZMLGDMEULXGHQ-INIZCTEOSA-N 2 0 299.434 1.655 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]CCCF)C(C)(C)C)C1 ZINC001508024393 975578677 /nfs/dbraw/zinc/57/86/77/975578677.db2.gz FOFZSHUEKDSGOH-OLZOCXBDSA-N 2 0 287.423 1.418 10 0 CDAERP CC(C)[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccsc1 ZINC001378994814 975582554 /nfs/dbraw/zinc/58/25/54/975582554.db2.gz VAHIMTXSEBPBMF-AWEZNQCLSA-N 2 0 297.468 1.930 10 0 CDAERP CC(C)=CC[NH2+]C1CC(N(C)C(=O)CCC[NH+](C)C)C1 ZINC001508136348 975620269 /nfs/dbraw/zinc/62/02/69/975620269.db2.gz XIBIQDKERLPVGY-UHFFFAOYSA-N 2 0 281.444 1.873 10 0 CDAERP CN(CC[N@H+](C)CC1CCC1)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001401431685 975661192 /nfs/dbraw/zinc/66/11/92/975661192.db2.gz PAYZKQXMBLLKHN-HNNXBMFYSA-N 2 0 281.444 1.519 10 0 CDAERP CCC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@@H]21 ZINC001379148160 975692331 /nfs/dbraw/zinc/69/23/31/975692331.db2.gz JCMGJVIQAGRZHU-GJZGRUSLSA-N 2 0 281.444 1.659 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CCC2CC2)[C@@H]1C)[NH+](C)C ZINC001397790843 975720950 /nfs/dbraw/zinc/72/09/50/975720950.db2.gz AZEAKOJGNGGMSO-KBMXLJTQSA-N 2 0 295.471 1.952 10 0 CDAERP CC[C@@H](C)C[NH2+]C[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001405593580 975781561 /nfs/dbraw/zinc/78/15/61/975781561.db2.gz NJJBYDGCEXEKRX-HUUCEWRRSA-N 2 0 293.455 1.709 10 0 CDAERP C[C@@H](C[NH2+]Cc1cncs1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001401716925 975827638 /nfs/dbraw/zinc/82/76/38/975827638.db2.gz LFDQDXVSWURABD-NWDGAFQWSA-N 2 0 296.440 1.079 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001405847396 975903359 /nfs/dbraw/zinc/90/33/59/975903359.db2.gz LDEKWKDHUXHYME-CQSZACIVSA-N 2 0 283.460 1.953 10 0 CDAERP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH+](C)CCF)C2)CC[N@@H+]1C ZINC001398457634 975995440 /nfs/dbraw/zinc/99/54/40/975995440.db2.gz RYFCLILOZRJRKB-QLFBSQMISA-N 2 0 299.434 1.467 10 0 CDAERP CC[NH2+][C@@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001398458567 975995576 /nfs/dbraw/zinc/99/55/76/975995576.db2.gz ZFOFYBFGCUPGLL-GJZGRUSLSA-N 2 0 281.444 1.611 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001379671653 976000541 /nfs/dbraw/zinc/00/05/41/976000541.db2.gz QJGQIHWBCVNJEM-HIFRSBDPSA-N 2 0 281.444 1.565 10 0 CDAERP C[N@H+](CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCCC2)C1)C1CCC1 ZINC001398541373 976027336 /nfs/dbraw/zinc/02/73/36/976027336.db2.gz RPZRQGCXGSPMEW-SHTZXODSSA-N 2 0 293.455 1.898 10 0 CDAERP O=C(NCC1([NH2+]CC2CC2)CC1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001401953217 976039036 /nfs/dbraw/zinc/03/90/36/976039036.db2.gz ISQSKWGURUFTFV-HUUCEWRRSA-N 2 0 291.439 1.652 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001379871596 976109616 /nfs/dbraw/zinc/10/96/16/976109616.db2.gz KUIRSJFSWTZXQO-AWEZNQCLSA-N 2 0 279.428 1.367 10 0 CDAERP CC[C@H](C)C[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001402083003 976116159 /nfs/dbraw/zinc/11/61/59/976116159.db2.gz CWLYIWVPUXUCAR-LSDHHAIUSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](F)CC[NH+]1CCC(C)(NC(=O)C[NH+]2CCCC2)CC1 ZINC001402089267 976119083 /nfs/dbraw/zinc/11/90/83/976119083.db2.gz VUWNYJFKRLFOJU-AWEZNQCLSA-N 2 0 299.434 1.801 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001406394352 976162545 /nfs/dbraw/zinc/16/25/45/976162545.db2.gz QSCZUBYLSQMIDW-AGIUHOORSA-N 2 0 273.396 1.313 10 0 CDAERP CC[C@@H](C[NH2+]C1CCC(NC(=O)CC[NH+](C)C)CC1)OC ZINC001398843807 976171637 /nfs/dbraw/zinc/17/16/37/976171637.db2.gz RWEOQGALPMMIIQ-NRXISQOPSA-N 2 0 299.459 1.380 10 0 CDAERP CC[C@H](F)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C ZINC001402483668 976306204 /nfs/dbraw/zinc/30/62/04/976306204.db2.gz LKXGPBQDUQREDT-ZNMIVQPWSA-N 2 0 299.434 1.752 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001390530777 976354313 /nfs/dbraw/zinc/35/43/13/976354313.db2.gz DBFCUPDYNGIBAR-CYBMUJFWSA-N 2 0 283.460 1.857 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccn2)C1 ZINC001390573267 976371459 /nfs/dbraw/zinc/37/14/59/976371459.db2.gz AYZKISZQCIRZEC-HNNXBMFYSA-N 2 0 290.411 1.112 10 0 CDAERP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCC(C)(C)C)C2)CC[N@@H+]1C ZINC001402578666 976373252 /nfs/dbraw/zinc/37/32/52/976373252.db2.gz UFBVLOMOJVGCQF-APIJFGDWSA-N 2 0 295.471 2.000 10 0 CDAERP CC[C@H](C(=O)N[C@]1(C)CC[N@H+](CC2CCC2)C1)[NH+](C)C ZINC001380358148 976377482 /nfs/dbraw/zinc/37/74/82/976377482.db2.gz YHHNGKBTWOAXQI-GDBMZVCRSA-N 2 0 281.444 1.707 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]C[C@@H](F)CC)C1 ZINC001399228443 976389154 /nfs/dbraw/zinc/38/91/54/976389154.db2.gz JMYMHKLFCCBQOE-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CC[NH+]2CCC2CC2)C1 ZINC001406883581 976447000 /nfs/dbraw/zinc/44/70/00/976447000.db2.gz VCPNLPBHBGUXQU-HUUCEWRRSA-N 2 0 279.428 1.319 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]CCF ZINC001390726882 976459072 /nfs/dbraw/zinc/45/90/72/976459072.db2.gz GURIJACIONOGAF-QWHCGFSZSA-N 2 0 273.396 1.315 10 0 CDAERP COC[C@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001402760252 976468266 /nfs/dbraw/zinc/46/82/66/976468266.db2.gz WXSREDMAKSTHQT-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@H](F)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001402759891 976469796 /nfs/dbraw/zinc/46/97/96/976469796.db2.gz FYKWZYNUOQNCLB-BFHYXJOUSA-N 2 0 285.407 1.409 10 0 CDAERP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]CCC(C)(C)C ZINC001402787982 976480288 /nfs/dbraw/zinc/48/02/88/976480288.db2.gz ODOZFSUVPYALAP-CABCVRRESA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H]1C[C@@H](C(=O)NCC2([NH2+]CC3CCC3)CC2)CC[N@@H+]1C ZINC001406965802 976498175 /nfs/dbraw/zinc/49/81/75/976498175.db2.gz WRDRYBKTPSFFMF-ZFWWWQNUSA-N 2 0 293.455 1.755 10 0 CDAERP CC[C@H](C(=O)N(C)C1C[NH+](CCC(C)(C)C)C1)[NH+](C)C ZINC001407060405 976535427 /nfs/dbraw/zinc/53/54/27/976535427.db2.gz NUDKUHLAGJNBOK-CQSZACIVSA-N 2 0 283.460 1.905 10 0 CDAERP CCC[N@H+](C)CC(=O)NCC[NH+](C)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001390851649 976562044 /nfs/dbraw/zinc/56/20/44/976562044.db2.gz ZCLJEPCEZCUYED-OWCLPIDISA-N 2 0 295.471 1.812 10 0 CDAERP CCC[N@@H+]1CCC[C@](C)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001407292958 976630523 /nfs/dbraw/zinc/63/05/23/976630523.db2.gz HABJKCZELJAUFG-MRXNPFEDSA-N 2 0 283.460 1.955 10 0 CDAERP CC[N@H+](CCCF)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001399807741 976684680 /nfs/dbraw/zinc/68/46/80/976684680.db2.gz DVEBRWKVCWFOJP-ZDUSSCGKSA-N 2 0 273.396 1.126 10 0 CDAERP CCC(CC)C[N@@H+]1CCOC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001407767405 976762872 /nfs/dbraw/zinc/76/28/72/976762872.db2.gz ZNECJRVQBRSDJR-HNNXBMFYSA-N 2 0 299.459 1.191 10 0 CDAERP CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001391294975 976800919 /nfs/dbraw/zinc/80/09/19/976800919.db2.gz ITQXLNWBWNYASB-HIFRSBDPSA-N 2 0 279.428 1.176 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H](C)C1C[NH+](CC)C1 ZINC001403303500 976866416 /nfs/dbraw/zinc/86/64/16/976866416.db2.gz NEFWVLIBHKLXCU-AAEUAGOBSA-N 2 0 273.396 1.123 10 0 CDAERP CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](C[C@H](C)OC)C1 ZINC001400132701 976877353 /nfs/dbraw/zinc/87/73/53/976877353.db2.gz DENOQKZCXXPFOA-LSDHHAIUSA-N 2 0 299.459 1.286 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CC2CC2)C1 ZINC001400162308 976902543 /nfs/dbraw/zinc/90/25/43/976902543.db2.gz MVAQCAFRETXDNK-HOTGVXAUSA-N 2 0 293.455 1.709 10 0 CDAERP CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@@H+]([C@@H](C)COC)C1 ZINC001400162230 976903759 /nfs/dbraw/zinc/90/37/59/976903759.db2.gz ZVHNFZKXYNFVNO-LSDHHAIUSA-N 2 0 299.459 1.286 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C1C[NH+](C(C)C)C1)[NH+](CC)CC ZINC001381825915 977042644 /nfs/dbraw/zinc/04/26/44/977042644.db2.gz UIHOCVWRBNYJIS-UKRRQHHQSA-N 2 0 283.460 1.952 10 0 CDAERP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]CC1CC(C)C1 ZINC001391949449 977161759 /nfs/dbraw/zinc/16/17/59/977161759.db2.gz MHLOTJZQHJKJPX-SHARSMKWSA-N 2 0 293.455 1.470 10 0 CDAERP CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC1CCCC1)[NH+](C)C ZINC001392129284 977230699 /nfs/dbraw/zinc/23/06/99/977230699.db2.gz ZDLNAYCXNYECTB-ZFWWWQNUSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CCF ZINC001392218351 977266976 /nfs/dbraw/zinc/26/69/76/977266976.db2.gz HXVVDBNAEXIPMB-UONOGXRCSA-N 2 0 285.407 1.028 10 0 CDAERP CC[NH+]1CCC([C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001382559538 977307638 /nfs/dbraw/zinc/30/76/38/977307638.db2.gz IYSOJDRTJIVCTP-DZGCQCFKSA-N 2 0 283.460 1.809 10 0 CDAERP CCC[NH+]1CCC([C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001382560031 977308231 /nfs/dbraw/zinc/30/82/31/977308231.db2.gz JFSRZSFBMGDSFP-HUUCEWRRSA-N 2 0 295.471 1.955 10 0 CDAERP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001404079408 977331640 /nfs/dbraw/zinc/33/16/40/977331640.db2.gz YLQISLUCNDKIFA-AWEZNQCLSA-N 2 0 295.471 1.812 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1ncc(C)s1)[NH+](C)C ZINC001392486018 977458810 /nfs/dbraw/zinc/45/88/10/977458810.db2.gz ACXPOGKJSGJMED-ZYHUDNBSSA-N 2 0 298.456 1.386 10 0 CDAERP CC[NH+]1CC([C@H](C)NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001394247972 978116002 /nfs/dbraw/zinc/11/60/02/978116002.db2.gz LQRJJMMXEXFFNR-LRDDRELGSA-N 2 0 299.434 1.655 10 0 CDAERP CC(C)CC[NH+]1CC([C@@H](C)NC(=O)C[N@H+](C)C(C)C)C1 ZINC001394275250 978123598 /nfs/dbraw/zinc/12/35/98/978123598.db2.gz XIQMYBFPWMUTFN-CQSZACIVSA-N 2 0 283.460 1.809 10 0 CDAERP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CC1CC(F)(F)C1 ZINC001394521240 978179862 /nfs/dbraw/zinc/17/98/62/978179862.db2.gz QUMUPYYAQIMNPX-NSHDSACASA-N 2 0 291.386 1.420 10 0 CDAERP CC[C@H](C)C[NH2+]C1CC(N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001394857362 978285584 /nfs/dbraw/zinc/28/55/84/978285584.db2.gz HFZWGHJSWRPYQM-NFOMZHRRSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC1CC1 ZINC001674780176 1174010245 /nfs/dbraw/zinc/01/02/45/1174010245.db2.gz KMYVTLUWPZMMCR-NEPJUHHUSA-N 2 0 255.406 1.219 10 0 CDAERP C[C@H](CCC[NH2+]CCO)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001675986272 1174171285 /nfs/dbraw/zinc/17/12/85/1174171285.db2.gz PMSHIMGOCPGFQH-HUUCEWRRSA-N 2 0 299.459 1.118 10 0 CDAERP COCCCC[N@H+](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001676064517 1174177560 /nfs/dbraw/zinc/17/75/60/1174177560.db2.gz ZORYJMQGBYKDOY-UHFFFAOYSA-N 2 0 299.459 1.288 10 0 CDAERP CCOCCC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001676887441 1174285508 /nfs/dbraw/zinc/28/55/08/1174285508.db2.gz OSGJHMKJGQGYLH-HUUCEWRRSA-N 2 0 299.459 1.334 10 0 CDAERP COCCC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C ZINC001677019405 1174308048 /nfs/dbraw/zinc/30/80/48/1174308048.db2.gz VWCXUYYLGHEDRP-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]C/C=C/Cl)C(C)(C)C ZINC001677282536 1174345200 /nfs/dbraw/zinc/34/52/00/1174345200.db2.gz VEEAPWOZSNWHNE-WMADIVHISA-N 2 0 289.851 1.811 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001570093454 1170076628 /nfs/dbraw/zinc/07/66/28/1170076628.db2.gz FZXLYOYTECPZMC-JKSUJKDBSA-N 2 0 295.471 1.955 10 0 CDAERP CCCC[NH2+]CC1(O)CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001570424681 1170154736 /nfs/dbraw/zinc/15/47/36/1170154736.db2.gz JDBLTNUBQOGJOM-AWEZNQCLSA-N 2 0 299.459 1.070 10 0 CDAERP CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001570886691 1170306942 /nfs/dbraw/zinc/30/69/42/1170306942.db2.gz NHYFGKICRWHVER-MRXNPFEDSA-N 2 0 297.443 1.042 10 0 CDAERP CC(C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001570902627 1170315923 /nfs/dbraw/zinc/31/59/23/1170315923.db2.gz WJHBPXJVVNRVKP-GFCCVEGCSA-N 2 0 255.406 1.173 10 0 CDAERP CC(C)[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001571324218 1170365310 /nfs/dbraw/zinc/36/53/10/1170365310.db2.gz AIRKVOOPZKQUPH-QWHCGFSZSA-N 2 0 255.406 1.221 10 0 CDAERP CCOC(=O)CCc1cc(NCCC[NH+](C)C)nc(C)n1 ZINC000601099052 342463873 /nfs/dbraw/zinc/46/38/73/342463873.db2.gz QDSSWCMMPPQSBQ-UHFFFAOYSA-N 2 0 294.399 1.066 10 0 CDAERP C[NH+](C)CCC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000253626535 282085248 /nfs/dbraw/zinc/08/52/48/282085248.db2.gz JCTYEYNPVUVIOW-KFWWJZLASA-N 2 0 254.418 1.954 10 0 CDAERP CCCC[NH2+]C[C@H](O)CO[C@@H]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000675080167 539085818 /nfs/dbraw/zinc/08/58/18/539085818.db2.gz NWFHEMCJBLDGAS-BARDWOONSA-N 2 0 270.417 1.284 10 0 CDAERP COCCCn1nccc1C[NH2+]CCC1(C[NH3+])CC1 ZINC000650713948 398156293 /nfs/dbraw/zinc/15/62/93/398156293.db2.gz KQHBXEFJXUVQEH-UHFFFAOYSA-N 2 0 266.389 1.138 10 0 CDAERP CCOC(=O)c1ncc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)s1 ZINC000601325564 342553526 /nfs/dbraw/zinc/55/35/26/342553526.db2.gz MDVGRDMGTWZKNA-LLVKDONJSA-N 2 0 297.424 1.881 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C12CC(C1)C2 ZINC000625028913 342027411 /nfs/dbraw/zinc/02/74/11/342027411.db2.gz ZWCAYTOLBFXSLK-ISXOHVOVSA-N 2 0 293.455 1.661 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000232925333 342035043 /nfs/dbraw/zinc/03/50/43/342035043.db2.gz RGXDBKNJHNVTJY-KBPBESRZSA-N 2 0 279.428 1.461 10 0 CDAERP C[C@H](CC[NH+](C)C)[NH2+]C[C@H](O)COCc1ccco1 ZINC000049557480 342056477 /nfs/dbraw/zinc/05/64/77/342056477.db2.gz NLLTXIKSKVLMKG-OLZOCXBDSA-N 2 0 270.373 1.087 10 0 CDAERP Cn1cc(CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)nn1 ZINC000625262834 342060192 /nfs/dbraw/zinc/06/01/92/342060192.db2.gz GTCLJWFCDPITOJ-CJNGLKHVSA-N 2 0 289.427 1.306 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000617013677 342605155 /nfs/dbraw/zinc/60/51/55/342605155.db2.gz YWTOWWNFEJEXQU-NEPJUHHUSA-N 2 0 253.390 1.070 10 0 CDAERP [NH3+]CCN1CC[NH2+]C[C@H]1c1cccc2ccncc21 ZINC000616635964 342121151 /nfs/dbraw/zinc/12/11/51/342121151.db2.gz OCNOTXIGLHDCFJ-HNNXBMFYSA-N 2 0 256.353 1.140 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000591442612 342632488 /nfs/dbraw/zinc/63/24/88/342632488.db2.gz UBFIGFOLQKBCLE-CHWSQXEVSA-N 2 0 253.390 1.071 10 0 CDAERP c1ccc(C[N@@H+]2CCO[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000096949598 185139239 /nfs/dbraw/zinc/13/92/39/185139239.db2.gz JCCUONBDYQUFIJ-INIZCTEOSA-N 2 0 260.381 1.887 10 0 CDAERP C[N@@H+]1CCCC[C@@H](CNC(=O)N2CC[NH+]3CCC2CC3)C1 ZINC000624611608 342205533 /nfs/dbraw/zinc/20/55/33/342205533.db2.gz WYPZVDWEJAXSTL-AWEZNQCLSA-N 2 0 294.443 1.208 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)CCc1ccsc1 ZINC000629405843 361943928 /nfs/dbraw/zinc/94/39/28/361943928.db2.gz VAXWKBJRCFXLMU-LBPRGKRZSA-N 2 0 256.415 1.895 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000440847312 361936909 /nfs/dbraw/zinc/93/69/09/361936909.db2.gz SORCMCFIZSZBRZ-UHFFFAOYSA-N 2 0 296.459 1.500 10 0 CDAERP COc1cc2c(c(C[NH2+]CCOCCC[NH3+])c1)O[C@H](C)C2 ZINC000629399607 361937119 /nfs/dbraw/zinc/93/71/19/361937119.db2.gz ILTFVPBODJRPJX-GFCCVEGCSA-N 2 0 294.395 1.474 10 0 CDAERP COC(=O)C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)[C@H]1C ZINC000600713341 342243943 /nfs/dbraw/zinc/24/39/43/342243943.db2.gz HUHVKTIZFAHWGV-JZRPKSSGSA-N 2 0 254.374 1.304 10 0 CDAERP C[C@H]1C[C@H](N(C)C(=O)C2CC[NH+](C3CC3)CC2)CC[N@@H+]1C ZINC000192596736 539156964 /nfs/dbraw/zinc/15/69/64/539156964.db2.gz DOQZUFHPUQLMNM-XJKSGUPXSA-N 2 0 293.455 1.802 10 0 CDAERP CC[NH+]1CCC(C[NH2+][C@H](C)[C@H]2C[C@H]2C(=O)OC)CC1 ZINC000594918998 342986466 /nfs/dbraw/zinc/98/64/66/342986466.db2.gz FNGCHEWBUMRLIC-MRVWCRGKSA-N 2 0 268.401 1.506 10 0 CDAERP C[C@@H](CSCCF)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000595004865 342995539 /nfs/dbraw/zinc/99/55/39/342995539.db2.gz UXRGYJUKABTIIF-ZDUSSCGKSA-N 2 0 277.453 1.305 10 0 CDAERP C[C@@H](C(=O)N(C)[C@@H]1CC[NH+](C2CC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000444010649 362029623 /nfs/dbraw/zinc/02/96/23/362029623.db2.gz HBWDGUOENWWBHL-KNCOVGOOSA-N 2 0 293.455 1.943 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H](C)N1CCC[C@@H](C)C1 ZINC000422859771 536850390 /nfs/dbraw/zinc/85/03/90/536850390.db2.gz KJIFDUCMNBTABE-ILXRZTDVSA-N 2 0 271.449 1.450 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCc1cccc(F)c1 ZINC000234786368 536850599 /nfs/dbraw/zinc/85/05/99/536850599.db2.gz DFJBKWPQLGONTO-AWEZNQCLSA-N 2 0 254.349 1.712 10 0 CDAERP CC(C)[C@H](C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)[C@H](C)[NH3+] ZINC000645108350 362122161 /nfs/dbraw/zinc/12/21/61/362122161.db2.gz XJAWALBRAJZCLI-AJNGGQMLSA-N 2 0 281.444 1.596 10 0 CDAERP [NH3+]Cc1cc(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)ccn1 ZINC000645105417 362119964 /nfs/dbraw/zinc/11/99/64/362119964.db2.gz NOHUGPBBXWORTQ-HIFRSBDPSA-N 2 0 288.395 1.145 10 0 CDAERP CCNC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000090409998 342394882 /nfs/dbraw/zinc/39/48/82/342394882.db2.gz OYGHCOAHFQSROL-MELADBBJSA-N 2 0 280.416 1.007 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000629530082 362161993 /nfs/dbraw/zinc/16/19/93/362161993.db2.gz UVPULSOPEVLRDZ-CQSZACIVSA-N 2 0 270.323 1.778 10 0 CDAERP CC(C)[NH2+]C1CCN(c2nc(N)[nH+]c3c2CCCC3)CC1 ZINC000645154134 362174917 /nfs/dbraw/zinc/17/49/17/362174917.db2.gz OISSQYGQBIJJIE-UHFFFAOYSA-N 2 0 289.427 1.735 10 0 CDAERP COC(=O)c1ccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)[nH]1 ZINC000601973605 344300815 /nfs/dbraw/zinc/30/08/15/344300815.db2.gz RHGYDAJLOASNET-NSHDSACASA-N 2 0 279.384 1.669 10 0 CDAERP CNC(=O)C(C)(C)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623468955 347050162 /nfs/dbraw/zinc/05/01/62/347050162.db2.gz LICYJARYKIEHDA-NSHDSACASA-N 2 0 255.406 1.221 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000262680761 344691777 /nfs/dbraw/zinc/69/17/77/344691777.db2.gz WVKBSQIYFICXLQ-BARDWOONSA-N 2 0 281.444 1.598 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[C@H]([NH3+])C1)[NH+]1CCC(C)CC1 ZINC000263294084 344698461 /nfs/dbraw/zinc/69/84/61/344698461.db2.gz XKWXIIJGTGOXOX-MCIONIFRSA-N 2 0 267.417 1.350 10 0 CDAERP OCCN1CCCC[C@@H]1C[NH2+]C[C@@H](O)CC1CCCC1 ZINC000571445180 362523717 /nfs/dbraw/zinc/52/37/17/362523717.db2.gz IEZYBIWKBHCXGB-CVEARBPZSA-N 2 0 284.444 1.364 10 0 CDAERP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)[C@H]1CCCCO1 ZINC000623891566 345655872 /nfs/dbraw/zinc/65/58/72/345655872.db2.gz PIUNSBDQQUFXDH-ARFHVFGLSA-N 2 0 284.444 1.771 10 0 CDAERP O=C(NCC1CC[NH+](C2CC2)CC1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000635862560 362647234 /nfs/dbraw/zinc/64/72/34/362647234.db2.gz XQPOCOWCVYHIGO-ZIAGYGMSSA-N 2 0 288.395 1.504 10 0 CDAERP C[NH+](C)CCOc1ccc(NC(=O)[C@@]2(C)CCC[NH2+]2)cc1 ZINC000079516070 362659514 /nfs/dbraw/zinc/65/95/14/362659514.db2.gz JJTQCXFTVPHICO-MRXNPFEDSA-N 2 0 291.395 1.708 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623356878 346085512 /nfs/dbraw/zinc/08/55/12/346085512.db2.gz MYFDCQYBEYHKCT-INIZCTEOSA-N 3 0 296.503 1.476 10 0 CDAERP COc1ccc(F)c(C[NH2+]C[C@H]2CCCCN2CCO)c1 ZINC000449393784 362687532 /nfs/dbraw/zinc/68/75/32/362687532.db2.gz DDSLQSMARQVIIU-CQSZACIVSA-N 2 0 296.386 1.771 10 0 CDAERP CC[NH+](CC)CCN(CC(C)C)C(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000085368427 179038201 /nfs/dbraw/zinc/03/82/01/179038201.db2.gz VWAGWYBBNANQKJ-LSDHHAIUSA-N 2 0 283.460 1.940 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000085369459 179039356 /nfs/dbraw/zinc/03/93/56/179039356.db2.gz YBHIXYVZEDPHIJ-LSDHHAIUSA-N 2 0 279.428 1.448 10 0 CDAERP CC[N@@H+]1CCC[C@H]1Cn1c2c(nc1C1CC1)C[NH2+]CC2 ZINC000085568665 179095326 /nfs/dbraw/zinc/09/53/26/179095326.db2.gz XVUAXIRILYUNMB-ZDUSSCGKSA-N 2 0 274.412 1.891 10 0 CDAERP C[Si](C)(c1ccc(CC[NH3+])cc1)c1ccc(CC[NH3+])cc1 ZINC000584594955 346495020 /nfs/dbraw/zinc/49/50/20/346495020.db2.gz GSIBSGRVIWRLCG-UHFFFAOYSA-N 2 0 298.506 1.512 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@H]1CC[NH+](C)C(C)(C)C1 ZINC000623446267 346761918 /nfs/dbraw/zinc/76/19/18/346761918.db2.gz XTAHNMNRDIOJGF-IPYPFGDCSA-N 2 0 265.445 1.932 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C2C[NH2+]C2)C1 ZINC000263327172 362774414 /nfs/dbraw/zinc/77/44/14/362774414.db2.gz TUQSJNLKZUZRFM-TXEJJXNPSA-N 2 0 267.417 1.079 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N(C)[C@@H]1CC[NH+](C2CC2)C1 ZINC000352041034 362831496 /nfs/dbraw/zinc/83/14/96/362831496.db2.gz WWICMRAIYIQEFY-OAHLLOKOSA-N 2 0 296.459 1.596 10 0 CDAERP CC[C@H]1C[NH2+][C@](C)(C2CC2)CN1C1CC[NH+](C)CC1 ZINC000086217794 179249292 /nfs/dbraw/zinc/24/92/92/179249292.db2.gz ASDOYISEQPQVFG-HOCLYGCPSA-N 2 0 265.445 1.933 10 0 CDAERP CC[N@@H+]1CC[C@@H](CN2C[C@H](C3CC3)[NH2+]C[C@@H]2C)C1 ZINC000086223057 179251035 /nfs/dbraw/zinc/25/10/35/179251035.db2.gz LVPSCGNUBHUFDY-GZBFAFLISA-N 2 0 251.418 1.401 10 0 CDAERP CC[C@@H]1C[NH2+][C@H](C2CC2)CN1[C@@H](C)CC[NH+](C)C ZINC000086255815 179256967 /nfs/dbraw/zinc/25/69/67/179256967.db2.gz KNWNTFGFBUFKAD-CFVMTHIKSA-N 2 0 253.434 1.789 10 0 CDAERP CCNC(=O)C1(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CCC1 ZINC000623506880 347608399 /nfs/dbraw/zinc/60/83/99/347608399.db2.gz LHDMTOTWSOKDJN-ZDUSSCGKSA-N 2 0 281.444 1.755 10 0 CDAERP C[NH+]1CCC(C)(CNC(=O)[C@@H]2CCc3nc[nH]c3C2)CC1 ZINC000613350478 347696036 /nfs/dbraw/zinc/69/60/36/347696036.db2.gz KJZOKXVCVAEEGP-GFCCVEGCSA-N 2 0 290.411 1.363 10 0 CDAERP CCSCC[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000615129356 348350463 /nfs/dbraw/zinc/35/04/63/348350463.db2.gz QHUZQJKKKVRPBI-UHFFFAOYSA-N 2 0 259.463 1.355 10 0 CDAERP CC[NH2+]Cc1cc(F)ccc1N(C)CC[NH+](C)C ZINC000104202086 185928488 /nfs/dbraw/zinc/92/84/88/185928488.db2.gz HODOGOIPPGFEFM-UHFFFAOYSA-N 2 0 253.365 1.933 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC000620816922 350336787 /nfs/dbraw/zinc/33/67/87/350336787.db2.gz MFEGDXCGIYYBPH-KGLIPLIRSA-N 2 0 282.432 1.110 10 0 CDAERP COc1ccccc1[C@H](C)[NH2+]CCOCCC[NH3+] ZINC000629539500 362956658 /nfs/dbraw/zinc/95/66/58/362956658.db2.gz MOOOVJUVONZTSV-LBPRGKRZSA-N 2 0 252.358 1.711 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1N[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000629548397 362976727 /nfs/dbraw/zinc/97/67/27/362976727.db2.gz ZKUZRMKEILWAGC-ARLBYUKCSA-N 2 0 259.397 1.820 10 0 CDAERP CCn1nccc1CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000621775479 350772043 /nfs/dbraw/zinc/77/20/43/350772043.db2.gz PVXPCEWSKWBUTC-ZBFHGGJFSA-N 2 0 276.428 1.910 10 0 CDAERP Cc1cc(CC[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc(C)c1O ZINC000629577137 363035496 /nfs/dbraw/zinc/03/54/96/363035496.db2.gz QAVKTNBGBDITAB-MRXNPFEDSA-N 2 0 292.423 1.598 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(Cc1cc(=O)n3ccccc3n1)C2 ZINC000629584234 363039234 /nfs/dbraw/zinc/03/92/34/363039234.db2.gz MXGWVNAABSLITK-CALCHBBNSA-N 2 0 298.390 1.126 10 0 CDAERP C[N@@H+]1Cc2ccc(NC[C@H](O)C[NH+]3CCCC3)cc2C1 ZINC000629583005 363048030 /nfs/dbraw/zinc/04/80/30/363048030.db2.gz ZOQWARXZTQAPCB-INIZCTEOSA-N 2 0 275.396 1.501 10 0 CDAERP C[C@H]1CCC[C@H](C2(O)CNC2)[N@@H+]1Cc1ccccc1 ZINC000090411637 358473309 /nfs/dbraw/zinc/47/33/09/358473309.db2.gz HPXRRLUYHHFCGF-DZGCQCFKSA-N 2 0 260.381 1.764 10 0 CDAERP Cc1cc(N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)nc(C2CC2)n1 ZINC000333931027 363232288 /nfs/dbraw/zinc/23/22/88/363232288.db2.gz ZPZCAOVINWHDLR-XQQFMLRXSA-N 2 0 258.369 1.836 10 0 CDAERP COCCCn1nccc1CN[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629660291 363265279 /nfs/dbraw/zinc/26/52/79/363265279.db2.gz REXDUBHDXVAMGK-CHWSQXEVSA-N 2 0 266.389 1.150 10 0 CDAERP C[NH2+]C[C@@H]1CCCN(Cc2cc(-c3cnn(C)c3)no2)C1 ZINC000570162677 363397566 /nfs/dbraw/zinc/39/75/66/363397566.db2.gz WDAJHNWEUIPHCB-LBPRGKRZSA-N 2 0 289.383 1.507 10 0 CDAERP C[C@@H]([NH3+])C[C@@H](C)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000643544831 355999684 /nfs/dbraw/zinc/99/96/84/355999684.db2.gz BGHRLSWVGLXUAN-GVGOCWFNSA-N 2 0 265.445 1.855 10 0 CDAERP CN1CC[NH+](CC2(C)CC[NH+](C3CCC3)CC2)CC1 ZINC000336318180 356142326 /nfs/dbraw/zinc/14/23/26/356142326.db2.gz VAFUKOGHUVYBMV-UHFFFAOYSA-N 2 0 265.445 1.888 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[NH+]3CCC2CC3)CC[N@@H+]1C ZINC000632714657 363466410 /nfs/dbraw/zinc/46/64/10/363466410.db2.gz DZJBOHODMKBWKH-UONOGXRCSA-N 2 0 265.401 1.023 10 0 CDAERP C[C@@H]1CN(C2CCC(C)([NH+]3CCOCC3)CC2)CC[NH2+]1 ZINC000725262635 538454869 /nfs/dbraw/zinc/45/48/69/538454869.db2.gz JKAUHJWTCZWTHM-QQFBHYJXSA-N 2 0 281.444 1.314 10 0 CDAERP CC1([NH+]2CCOCC2)CCC(N2CCC[C@H]([NH3+])C2)CC1 ZINC000725262986 538455127 /nfs/dbraw/zinc/45/51/27/538455127.db2.gz ZNQBJAGGYYSUIQ-FHERZECASA-N 2 0 281.444 1.443 10 0 CDAERP CC(C)(C)N1CC[C@@H]1C[NH2+]C[C@H](O)C[C@](C)(O)C1CC1 ZINC000634648965 356635021 /nfs/dbraw/zinc/63/50/21/356635021.db2.gz CZARCYLPLWYSPE-FMKPAKJESA-N 2 0 284.444 1.361 10 0 CDAERP CCCCC[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001660400381 1172208743 /nfs/dbraw/zinc/20/87/43/1172208743.db2.gz RFVRLWDJRGCACA-AWEZNQCLSA-N 2 0 269.433 1.566 10 0 CDAERP Cc1cc(C[NH2+]CC2(O)CC[NH+](C)CC2)cc(C)c1O ZINC000290322122 358418279 /nfs/dbraw/zinc/41/82/79/358418279.db2.gz JQZBRQYBABNVET-UHFFFAOYSA-N 2 0 278.396 1.555 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CC2)CC[N@@H+]1C ZINC000426793814 358655886 /nfs/dbraw/zinc/65/58/86/358655886.db2.gz OYZGRKMRTFENLU-VHDGCEQUSA-N 2 0 279.428 1.554 10 0 CDAERP CCC[NH2+]CCNC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000417527117 283388065 /nfs/dbraw/zinc/38/80/65/283388065.db2.gz DABGIMLLXFDFKG-ZIAGYGMSSA-N 2 0 284.448 1.548 10 0 CDAERP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000037042480 359027062 /nfs/dbraw/zinc/02/70/62/359027062.db2.gz QEWAHRCOBMLGMN-CYBMUJFWSA-N 2 0 261.369 1.686 10 0 CDAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000346244214 358997770 /nfs/dbraw/zinc/99/77/70/358997770.db2.gz QPDYHAZUGIDOCN-MGLUKCQKSA-N 2 0 293.455 1.991 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)Cc2cnc(N)s2)[C@@H](C)C1 ZINC000261879659 359074737 /nfs/dbraw/zinc/07/47/37/359074737.db2.gz QTOKGJFVVHPYCF-JQWIXIFHSA-N 2 0 268.430 1.887 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261904326 359084078 /nfs/dbraw/zinc/08/40/78/359084078.db2.gz WPZWMGWNXZKFIJ-NMWPEEMBSA-N 2 0 279.428 1.317 10 0 CDAERP Cc1nc(C)n(C[C@@H]2CCC[N@H+](C[C@]3(C)CC[NH2+]C3)C2)n1 ZINC000262027014 359124381 /nfs/dbraw/zinc/12/43/81/359124381.db2.gz NRRJZZNTMADCBX-HZPDHXFCSA-N 2 0 291.443 1.607 10 0 CDAERP CC[C@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000347165610 359201243 /nfs/dbraw/zinc/20/12/43/359201243.db2.gz LDOWARSJKABMSF-STQMWFEESA-N 2 0 257.422 1.467 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000048505787 359208983 /nfs/dbraw/zinc/20/89/83/359208983.db2.gz PRCIWELJNCGEGQ-AWEZNQCLSA-N 2 0 261.369 1.359 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000339442589 359407216 /nfs/dbraw/zinc/40/72/16/359407216.db2.gz LESLGMNZYUJIJX-HUUCEWRRSA-N 2 0 298.475 1.890 10 0 CDAERP CC(C)[N@@H+]1CCCN(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000335297794 359575446 /nfs/dbraw/zinc/57/54/46/359575446.db2.gz LEEMGGUFOOZGCJ-UONOGXRCSA-N 2 0 282.432 1.110 10 0 CDAERP C[C@H](NCCC[N@@H+]1CCCC[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000400354155 299293067 /nfs/dbraw/zinc/29/30/67/299293067.db2.gz LLIUVXDARTVWKG-ILXRZTDVSA-N 2 0 253.434 1.839 10 0 CDAERP CCC1(CC)[C@H]([NH2+][C@H](CCC[NH3+])COC)C[C@H]1OC ZINC000422941183 359688742 /nfs/dbraw/zinc/68/87/42/359688742.db2.gz ODZDWVJLAHNAFN-MGPQQGTHSA-N 2 0 272.433 1.924 10 0 CDAERP CCO[C@@H]1C[C@@H]([NH2+]C[C@@](C)(O)C[NH+](C)C)C12CCC2 ZINC000224754643 359734773 /nfs/dbraw/zinc/73/47/73/359734773.db2.gz PBOYTDLSRJMAHO-MGPQQGTHSA-N 2 0 270.417 1.236 10 0 CDAERP Cc1nccn1CC[N@@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000336704266 359737114 /nfs/dbraw/zinc/73/71/14/359737114.db2.gz IXXDUGIIDWZVNO-TZMCWYRMSA-N 3 0 250.390 1.606 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H](COC)c1ccc(C)o1 ZINC000423009445 359738362 /nfs/dbraw/zinc/73/83/62/359738362.db2.gz VPVCHQDXQXFUHS-OLZOCXBDSA-N 2 0 270.373 1.619 10 0 CDAERP CC(C)C[N@H+](CCCNC(=O)C[NH+]1CC[C@@H](C)C1)C1CC1 ZINC001660723037 1172265603 /nfs/dbraw/zinc/26/56/03/1172265603.db2.gz RVNJCUKIHIQVRH-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000336833569 359920348 /nfs/dbraw/zinc/92/03/48/359920348.db2.gz CPOBGALIPBGNGP-IRXDYDNUSA-N 2 0 295.471 1.515 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424377947 360028616 /nfs/dbraw/zinc/02/86/16/360028616.db2.gz NFMJIAYLSQRJRE-MFGQWXODSA-N 2 0 252.402 1.765 10 0 CDAERP C[C@H]([NH2+][C@@H]1CC[C@H]1O)c1ccc(OCC[NH+](C)C)cc1 ZINC000424310616 360001891 /nfs/dbraw/zinc/00/18/91/360001891.db2.gz CQWWIRRXPPOUSY-APHBMKBZSA-N 2 0 278.396 1.801 10 0 CDAERP O[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000643494178 360147992 /nfs/dbraw/zinc/14/79/92/360147992.db2.gz OJYNVACBZVFOPV-KCYZZUKISA-N 2 0 288.391 1.745 10 0 CDAERP C[NH+](C)CCN1CCC([NH2+]C[C@@]2(C)CCCS2)CC1 ZINC000628201593 360240047 /nfs/dbraw/zinc/24/00/47/360240047.db2.gz MPQWRISEIHCXDO-OAHLLOKOSA-N 2 0 285.501 1.888 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC000335503966 360279292 /nfs/dbraw/zinc/27/92/92/360279292.db2.gz DUTSEUCYYFYHID-FZMZJTMJSA-N 2 0 261.369 1.310 10 0 CDAERP C[C@H]1CN(Cc2ccc(-n3ccnc3)nc2)C[C@H](C)O1 ZINC000177225682 189037708 /nfs/dbraw/zinc/03/77/08/189037708.db2.gz RGVWBNUHKNQAKB-STQMWFEESA-N 2 0 272.352 1.877 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000193298774 296017555 /nfs/dbraw/zinc/01/75/55/296017555.db2.gz PFMWSUBUUSZHHK-TZMCWYRMSA-N 2 0 269.433 1.741 10 0 CDAERP C[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccnn1C ZINC000635007460 360645685 /nfs/dbraw/zinc/64/56/85/360645685.db2.gz DCYNMHRKXDEJRK-GFCCVEGCSA-N 2 0 270.380 1.917 10 0 CDAERP CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000626929549 360647044 /nfs/dbraw/zinc/64/70/44/360647044.db2.gz YABLTBOIHCEGLU-ZFWWWQNUSA-N 2 0 296.459 1.547 10 0 CDAERP CCN(CC[NH3+])C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000626944616 360675597 /nfs/dbraw/zinc/67/55/97/360675597.db2.gz LGZXVASQGXORSQ-OAHLLOKOSA-N 2 0 292.427 1.150 10 0 CDAERP COC1(C[C@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)CCC1 ZINC000429517644 360846222 /nfs/dbraw/zinc/84/62/22/360846222.db2.gz KPIZVHLFHURWAK-LSDHHAIUSA-N 2 0 283.460 1.560 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000350733339 361153815 /nfs/dbraw/zinc/15/38/15/361153815.db2.gz ZWBGHUAELGAHNK-CQSZACIVSA-N 2 0 298.475 1.748 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC[C@@H](CO)C1 ZINC000366193696 361123653 /nfs/dbraw/zinc/12/36/53/361123653.db2.gz VGHTUEYJTARFDK-HUUCEWRRSA-N 2 0 254.418 1.955 10 0 CDAERP CCC[NH+]1CCC(C[NH2+]Cc2[nH]ncc2C)CC1 ZINC000352824023 363968643 /nfs/dbraw/zinc/96/86/43/363968643.db2.gz PTKKGWFGVPUTRF-UHFFFAOYSA-N 2 0 250.390 1.930 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](CC)C2)[C@@H]1SC ZINC000459395650 364221636 /nfs/dbraw/zinc/22/16/36/364221636.db2.gz UPOYHZQGNPPPSK-FQUUOJAGSA-N 2 0 272.458 1.827 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000357238891 366854091 /nfs/dbraw/zinc/85/40/91/366854091.db2.gz YSLXJYXPGACYBK-CHWSQXEVSA-N 2 0 255.406 1.269 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000357239435 366854604 /nfs/dbraw/zinc/85/46/04/366854604.db2.gz JSCMIBMTNUIHRV-KBPBESRZSA-N 2 0 267.417 1.317 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000363651240 364750088 /nfs/dbraw/zinc/75/00/88/364750088.db2.gz KLULNXAGLMJXAV-RRFJBIMHSA-N 2 0 273.380 1.345 10 0 CDAERP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000660058081 412737194 /nfs/dbraw/zinc/73/71/94/412737194.db2.gz VSPLXKGKKBVAFY-RBVVOMGSSA-N 2 0 293.455 1.422 10 0 CDAERP C[N@@H+]1CC[C@H](NCCC[NH+]2CCC(O)CC2)[C@H]2CCC[C@H]21 ZINC000353506403 365264400 /nfs/dbraw/zinc/26/44/00/365264400.db2.gz YAVJGRITQCHWAB-IXDOHACOSA-N 2 0 295.471 1.296 10 0 CDAERP CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353522679 365273933 /nfs/dbraw/zinc/27/39/33/365273933.db2.gz VIPIXLVBNYJEQT-PDWCTOEPSA-N 2 0 272.458 1.561 10 0 CDAERP CCn1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1=O ZINC000353603111 365327614 /nfs/dbraw/zinc/32/76/14/365327614.db2.gz FUZRGJBIPRQKSX-XHSDSOJGSA-N 2 0 289.423 1.831 10 0 CDAERP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(-n3cncn3)cc2)C1 ZINC000353563301 365300520 /nfs/dbraw/zinc/30/05/20/365300520.db2.gz AERKXSPWVJKQSR-HNNXBMFYSA-N 2 0 285.395 1.651 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)C2CCOCC2)[C@H]2CCC[C@H]21 ZINC000353633024 365344750 /nfs/dbraw/zinc/34/47/50/365344750.db2.gz RMRQSPCHFPHIQX-QXSJWSMHSA-N 2 0 282.428 1.236 10 0 CDAERP C[NH2+]C(C)(C)CNC(=O)Nc1ccccc1CC[NH+](C)C ZINC000275705268 193108497 /nfs/dbraw/zinc/10/84/97/193108497.db2.gz TYMOOTZGIWRTSS-UHFFFAOYSA-N 2 0 292.427 1.910 10 0 CDAERP CCc1cc(N2CC[NH+]([C@@H](CC)CO)CC2)nc(C)n1 ZINC000272951902 365456839 /nfs/dbraw/zinc/45/68/39/365456839.db2.gz YSHWYEOGRFGMGD-AWEZNQCLSA-N 2 0 278.400 1.240 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N(CC)CC[NH3+])CC1 ZINC000626960140 366910749 /nfs/dbraw/zinc/91/07/49/366910749.db2.gz MGUHWPBLARABRG-UHFFFAOYSA-N 2 0 270.421 1.099 10 0 CDAERP CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414763133 241374214 /nfs/dbraw/zinc/37/42/14/241374214.db2.gz WYNBSFATIYRSCG-QPSCCSFWSA-N 2 0 298.427 1.417 10 0 CDAERP CC[NH+]1CCC(CNC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000626964138 367098905 /nfs/dbraw/zinc/09/89/05/367098905.db2.gz MRFPLACCMCKDGL-JSGCOSHPSA-N 2 0 282.432 1.158 10 0 CDAERP CN(C)c1ccncc1C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000293891104 370844349 /nfs/dbraw/zinc/84/43/49/370844349.db2.gz MWURFWIINQTACW-MRXNPFEDSA-N 2 0 288.395 1.315 10 0 CDAERP [NH3+]C1(CC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000398196807 367256749 /nfs/dbraw/zinc/25/67/49/367256749.db2.gz UMZKLEDQFWKTCG-HNNXBMFYSA-N 2 0 287.407 1.506 10 0 CDAERP CC1CC[NH+](CC(=O)NC[C@@H]([NH2+]CCCF)C2CC2)CC1 ZINC001661177989 1172347513 /nfs/dbraw/zinc/34/75/13/1172347513.db2.gz QRIBCMXJBOJFNI-OAHLLOKOSA-N 2 0 299.434 1.562 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)N[C@H]1CCCC[C@H]1C[NH3+])C2 ZINC000627078744 367375339 /nfs/dbraw/zinc/37/53/39/367375339.db2.gz RKNZYPQWAJSZPD-DARAHFNDSA-N 2 0 294.443 1.145 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC[N@@H+]1C ZINC000630081520 367511595 /nfs/dbraw/zinc/51/15/95/367511595.db2.gz GIPBAGUIFAEAFE-RFQIPJPRSA-N 2 0 267.417 1.173 10 0 CDAERP CC(C)[NH+](CCNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)C(C)C ZINC000416806438 242151666 /nfs/dbraw/zinc/15/16/66/242151666.db2.gz MBXBEGNAAISCSB-HNNXBMFYSA-N 2 0 296.459 1.641 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000088277265 482929959 /nfs/dbraw/zinc/92/99/59/482929959.db2.gz RPUHPDJWOJHWNE-LSDHHAIUSA-N 2 0 281.444 1.694 10 0 CDAERP [NH3+]CCNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000416892765 242214387 /nfs/dbraw/zinc/21/43/87/242214387.db2.gz LGEJSXSMFDIWSA-UHFFFAOYSA-N 2 0 276.384 1.040 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000417392464 242452289 /nfs/dbraw/zinc/45/22/89/242452289.db2.gz PCZVCGSMOKESJE-KGLIPLIRSA-N 2 0 296.459 1.500 10 0 CDAERP COC(=O)[C@@H](C)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000282219164 367778695 /nfs/dbraw/zinc/77/86/95/367778695.db2.gz YOJZGVFQSHOQBT-CHWSQXEVSA-N 2 0 291.395 1.960 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH2+][C@H]2C)C[C@@H]1C ZINC000627240782 367804889 /nfs/dbraw/zinc/80/48/89/367804889.db2.gz XTEWNYKARZVDIS-XDQVBPFNSA-N 2 0 282.432 1.251 10 0 CDAERP CCCN(CC[NH+](CC)CC)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627241035 367808389 /nfs/dbraw/zinc/80/83/89/367808389.db2.gz ADDZMQJEHLOOMX-UONOGXRCSA-N 2 0 284.448 1.500 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)NC2CC[NH2+]CC2)CC1 ZINC000418312292 242928793 /nfs/dbraw/zinc/92/87/93/242928793.db2.gz STWZFONQAKEGFE-UHFFFAOYSA-N 2 0 296.459 1.502 10 0 CDAERP C[C@@H]1CN(C)C[C@H]1[NH2+][C@H](CC(=O)N(C)C)c1ccccc1 ZINC000360582328 368373351 /nfs/dbraw/zinc/37/33/51/368373351.db2.gz QANLMJUUWIQHHE-FVQBIDKESA-N 2 0 289.423 1.746 10 0 CDAERP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)C1 ZINC000418446392 243088553 /nfs/dbraw/zinc/08/85/53/243088553.db2.gz IBVWDXGSFVDKFI-NWANDNLSSA-N 2 0 290.411 1.455 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000418584172 243239442 /nfs/dbraw/zinc/23/94/42/243239442.db2.gz BWTOFVKHEJCJBU-UKRRQHHQSA-N 2 0 290.411 1.155 10 0 CDAERP CC[NH2+][C@H](C)CNC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000418591196 243249274 /nfs/dbraw/zinc/24/92/74/243249274.db2.gz CECWRAXENQANMD-MGPQQGTHSA-N 2 0 284.448 1.356 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CCC1C[NH2+]C1 ZINC000638122303 368511222 /nfs/dbraw/zinc/51/12/22/368511222.db2.gz ONYVIKGDVMYKMY-OCCSQVGLSA-N 2 0 265.401 1.071 10 0 CDAERP C[C@@H](NCC[N@H+]1[C@H](C)CCC[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422890477 296125623 /nfs/dbraw/zinc/12/56/23/296125623.db2.gz SKMQVGNANLWLPK-BARDWOONSA-N 2 0 253.434 1.979 10 0 CDAERP CO[C@@H]1CN(CCC[NH+]2CCCCC2)[C@@](C)(C[NH3+])C1 ZINC000630368249 368805977 /nfs/dbraw/zinc/80/59/77/368805977.db2.gz PUDKAOCOEUZUKS-LSDHHAIUSA-N 2 0 269.433 1.301 10 0 CDAERP C[NH+](C)CCN(Cc1ccccc1)C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638271706 369051872 /nfs/dbraw/zinc/05/18/72/369051872.db2.gz RXOHWOXUPAEQLW-INIZCTEOSA-N 2 0 287.407 1.624 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000363247835 369138000 /nfs/dbraw/zinc/13/80/00/369138000.db2.gz VUHVLSGHSLBUBG-HUUCEWRRSA-N 2 0 296.459 1.596 10 0 CDAERP CC[NH+](CC)CC(=O)NCCC1CC[NH+](CC)CC1 ZINC000076198417 369507492 /nfs/dbraw/zinc/50/74/92/369507492.db2.gz WOWMOFGUJKTAMV-UHFFFAOYSA-N 2 0 269.433 1.566 10 0 CDAERP C[C@@H](C(=O)N1CCC([NH+](C)C)CC1)[NH+]1CCCCCC1 ZINC000118770649 369886297 /nfs/dbraw/zinc/88/62/97/369886297.db2.gz SDAJCGMKAORTSV-AWEZNQCLSA-N 2 0 281.444 1.804 10 0 CDAERP COc1cccc(C[C@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)n1 ZINC000414910962 369948407 /nfs/dbraw/zinc/94/84/07/369948407.db2.gz VZQASBWSZSAFOP-QWHCGFSZSA-N 2 0 263.385 1.753 10 0 CDAERP CO[C@@H]1C[N@H+](CCCN2CC[NH+](C(C)C)CC2)CC[C@@H]1C ZINC000249217680 370131640 /nfs/dbraw/zinc/13/16/40/370131640.db2.gz FLLHPYLGVXVYCH-DLBZAZTESA-N 2 0 297.487 1.759 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)NCC2([NH3+])CCCCCC2)CC[NH2+]1 ZINC000418284712 370474498 /nfs/dbraw/zinc/47/44/98/370474498.db2.gz NETOTZMSRKWJEL-CHWSQXEVSA-N 2 0 282.432 1.478 10 0 CDAERP [NH3+]C[C@H](NC(=O)NCC1([NH3+])CCCCCC1)C1CC1 ZINC000418287182 370564223 /nfs/dbraw/zinc/56/42/23/370564223.db2.gz SQLRFEFBKUMOHT-LBPRGKRZSA-N 2 0 268.405 1.075 10 0 CDAERP COCCC[N@H+](C)CCN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@@H]21 ZINC000375897850 371021123 /nfs/dbraw/zinc/02/11/23/371021123.db2.gz MAYIETFWGOMVOJ-BZUAXINKSA-N 2 0 283.460 1.417 10 0 CDAERP CC[C@@H](Cn1cncn1)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000340472680 371070945 /nfs/dbraw/zinc/07/09/45/371070945.db2.gz JUYKZRUXPHWPQA-AWEZNQCLSA-N 2 0 277.416 1.521 10 0 CDAERP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)C1C[NH2+]C1 ZINC000422784021 245252157 /nfs/dbraw/zinc/25/21/57/245252157.db2.gz LSRRPUWIDUHTGB-AWEZNQCLSA-N 3 0 273.424 1.980 10 0 CDAERP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CC[NH+]2CCC1CC2 ZINC000376572949 371275769 /nfs/dbraw/zinc/27/57/69/371275769.db2.gz IDMXAYVSQKERAK-HIFRSBDPSA-N 2 0 292.427 1.103 10 0 CDAERP [NH3+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000377535255 371569098 /nfs/dbraw/zinc/56/90/98/371569098.db2.gz DMNTWHCVKBSMAS-QXKUPLGCSA-N 2 0 293.455 1.788 10 0 CDAERP COC[C@@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000171972475 372260215 /nfs/dbraw/zinc/26/02/15/372260215.db2.gz YQNAFBMHYSMREX-CVEARBPZSA-N 2 0 284.444 1.438 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000423047146 245520547 /nfs/dbraw/zinc/52/05/47/245520547.db2.gz GOULNVOFJFYFDX-MJBXVCDLSA-N 2 0 272.433 1.922 10 0 CDAERP C[C@H](CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)C1CC[NH2+]CC1 ZINC000178815867 372984503 /nfs/dbraw/zinc/98/45/03/372984503.db2.gz RJUURVVPYHKLGT-IIAWOOMASA-N 2 0 295.471 1.953 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000582011755 373536424 /nfs/dbraw/zinc/53/64/24/373536424.db2.gz MKDNXOPONRZMOV-KBPBESRZSA-N 2 0 283.460 1.811 10 0 CDAERP COCCN(C)C[C@H](O)C[N@H+](C)C[C@@H](C)C(C)(C)C ZINC000399537562 373560255 /nfs/dbraw/zinc/56/02/55/373560255.db2.gz XDUBHVUJFSFWFW-KGLIPLIRSA-N 2 0 274.449 1.540 10 0 CDAERP CCC1([NH+](C)C)CC[NH+](CC2(O)CCOCC2)CC1 ZINC000640017329 374005320 /nfs/dbraw/zinc/00/53/20/374005320.db2.gz MTYKRGYJEKBNBX-UHFFFAOYSA-N 2 0 270.417 1.334 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000643469239 374009117 /nfs/dbraw/zinc/00/91/17/374009117.db2.gz BTVYNRVQJCGFBC-RISCZKNCSA-N 2 0 257.341 1.677 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1c(C)cc(C)nc1OC ZINC000643472556 374246038 /nfs/dbraw/zinc/24/60/38/374246038.db2.gz QXGKVMOLCFUVRQ-CYBMUJFWSA-N 2 0 281.400 1.551 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000418560170 374410477 /nfs/dbraw/zinc/41/04/77/374410477.db2.gz RKCMYMWWMBRCES-KBXIAJHMSA-N 2 0 294.443 1.110 10 0 CDAERP CC[NH2+][C@H](C)CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000418603104 374421499 /nfs/dbraw/zinc/42/14/99/374421499.db2.gz OOJGPZDMUBSKMM-HUUCEWRRSA-N 2 0 296.459 1.644 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652146920 412829872 /nfs/dbraw/zinc/82/98/72/412829872.db2.gz BQFJFILVXJIOBW-AWEZNQCLSA-N 2 0 296.459 1.535 10 0 CDAERP C[C@@H]1CN(C2C[NH2+]C2)CC[N@H+](Cc2ccccc2)C1 ZINC000306348504 375020833 /nfs/dbraw/zinc/02/08/33/375020833.db2.gz SPIYXSOKBXWARH-AWEZNQCLSA-N 2 0 259.397 1.412 10 0 CDAERP COC[C@H](O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000127564404 375065645 /nfs/dbraw/zinc/06/56/45/375065645.db2.gz HSAYLFJCFXHSAX-NVXWUHKLSA-N 2 0 298.471 1.970 10 0 CDAERP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000417082031 375725058 /nfs/dbraw/zinc/72/50/58/375725058.db2.gz ZXDHJIDLCQKLEF-MELADBBJSA-N 2 0 292.427 1.007 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)C[C@H]2CSCC[NH2+]2)CC1 ZINC000638974856 376313873 /nfs/dbraw/zinc/31/38/73/376313873.db2.gz CVOWWNUSZGXLRA-ZDUSSCGKSA-N 2 0 299.484 1.414 10 0 CDAERP CC[NH2+]CC1CC[NH+]([C@H]2CCN(C3CCC3)C2=O)CC1 ZINC000631821744 376643749 /nfs/dbraw/zinc/64/37/49/376643749.db2.gz HWFHBXVTPBYSIQ-HNNXBMFYSA-N 2 0 279.428 1.461 10 0 CDAERP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc2oc(=O)n(C)c2c1 ZINC000631823230 376647744 /nfs/dbraw/zinc/64/77/44/376647744.db2.gz ZHECYPSKCJSZHZ-JQWIXIFHSA-N 2 0 275.352 1.301 10 0 CDAERP CCNC(=O)N1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)C1 ZINC000246379073 376648866 /nfs/dbraw/zinc/64/88/66/376648866.db2.gz JYRLAZGRXVQLQO-RFQIPJPRSA-N 2 0 282.432 1.109 10 0 CDAERP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631841043 376693417 /nfs/dbraw/zinc/69/34/17/376693417.db2.gz HOOUPYWTKZSQPX-GRYCIOLGSA-N 2 0 255.406 1.206 10 0 CDAERP FC(F)[C@H]1CC[N@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000631866502 376747809 /nfs/dbraw/zinc/74/78/09/376747809.db2.gz ZLJHMIQVOACANQ-GFCCVEGCSA-N 2 0 262.344 1.732 10 0 CDAERP CC[N@H+](CCNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)C(C)C ZINC000417465728 377334044 /nfs/dbraw/zinc/33/40/44/377334044.db2.gz SRXNEGMEPBZSTI-ZIAGYGMSSA-N 2 0 282.432 1.110 10 0 CDAERP CC[N@H+](CCNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)C(C)C ZINC000417465727 377334685 /nfs/dbraw/zinc/33/46/85/377334685.db2.gz SRXNEGMEPBZSTI-UONOGXRCSA-N 2 0 282.432 1.110 10 0 CDAERP C[C@@]1(CNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)CCC[NH2+]C1 ZINC000334939497 377715760 /nfs/dbraw/zinc/71/57/60/377715760.db2.gz HCIOXQPIJUWADH-GDBMZVCRSA-N 2 0 292.427 1.032 10 0 CDAERP C[C@H]1CN(C(=O)NCC2([NH3+])CCCCCC2)C[C@@H]1[NH3+] ZINC000334937116 377708196 /nfs/dbraw/zinc/70/81/96/377708196.db2.gz UVABSUNKJAIBMU-RYUDHWBXSA-N 2 0 268.405 1.027 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCc1cn[nH]c1 ZINC000572170629 377751835 /nfs/dbraw/zinc/75/18/35/377751835.db2.gz AJZDGSZVVKQJQG-UHFFFAOYSA-N 2 0 282.351 1.631 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000417531450 377888028 /nfs/dbraw/zinc/88/80/28/377888028.db2.gz JOOGDSMXLIAVKD-LZWOXQAQSA-N 2 0 296.459 1.630 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NC1CCC([NH3+])CC1 ZINC000417536138 377896308 /nfs/dbraw/zinc/89/63/08/377896308.db2.gz QCCUYHRZUBZIFX-DGKWVBSXSA-N 2 0 296.459 1.818 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000417541501 377937310 /nfs/dbraw/zinc/93/73/10/377937310.db2.gz YLDBXAFFRPWAJT-TUVASFSCSA-N 2 0 296.459 1.547 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@H]1CC ZINC000633123541 378130968 /nfs/dbraw/zinc/13/09/68/378130968.db2.gz FGNLMFWIPVPUQJ-ZNMIVQPWSA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CCC3(C2)CC[NH+](C)CC3)CC[N@@H+]1C ZINC000633125719 378132513 /nfs/dbraw/zinc/13/25/13/378132513.db2.gz MWYMICRSETYSML-LSDHHAIUSA-N 2 0 293.455 1.661 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000633943189 378891383 /nfs/dbraw/zinc/89/13/83/378891383.db2.gz FPOVLPDDPAWMIX-UHFFFAOYSA-N 2 0 281.444 1.805 10 0 CDAERP C[NH+](C)CCC[C@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000662327417 412896203 /nfs/dbraw/zinc/89/62/03/412896203.db2.gz OLQOFUCMDWDZRW-GJZGRUSLSA-N 3 0 269.433 1.029 10 0 CDAERP CCCCC[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001662415312 1172545505 /nfs/dbraw/zinc/54/55/05/1172545505.db2.gz SOHKUPNAUJZASH-CHWSQXEVSA-N 2 0 255.406 1.223 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cncs1 ZINC000657573309 412904907 /nfs/dbraw/zinc/90/49/07/412904907.db2.gz IQHPEAARQYDETE-LBPRGKRZSA-N 2 0 270.446 1.505 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CCO[C@H]1C ZINC000657573613 412907316 /nfs/dbraw/zinc/90/73/16/412907316.db2.gz RBZNXCQXWSXWDM-IHRRRGAJSA-N 2 0 257.422 1.025 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655912555 412915300 /nfs/dbraw/zinc/91/53/00/412915300.db2.gz VWKHEMVJRWUQOP-ZJUUUORDSA-N 2 0 296.337 1.050 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655912552 412916638 /nfs/dbraw/zinc/91/66/38/412916638.db2.gz VWKHEMVJRWUQOP-NXEZZACHSA-N 2 0 296.337 1.050 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)N[C@H](C[NH3+])C(F)(F)F)CC[N@@H+]1C ZINC000655917958 412923256 /nfs/dbraw/zinc/92/32/56/412923256.db2.gz CBDTZZHRXYCRGX-KXUCPTDWSA-N 2 0 296.337 1.000 10 0 CDAERP CC(C)CCC[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001662720929 1172585732 /nfs/dbraw/zinc/58/57/32/1172585732.db2.gz AFRYUKJNLGOSSB-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655931220 412942454 /nfs/dbraw/zinc/94/24/54/412942454.db2.gz HOYKGTIKHZXBCO-SNVBAGLBSA-N 2 0 298.353 1.153 10 0 CDAERP CC(C)[NH2+][C@H]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001662777925 1172592618 /nfs/dbraw/zinc/59/26/18/1172592618.db2.gz AOIPFEREUXLXLP-STQMWFEESA-N 2 0 255.406 1.364 10 0 CDAERP C[C@@H](NC(=O)C1([NH2+]C2CC2)CCC1)[C@@H]1CCC[NH2+]C1 ZINC000662403413 412965311 /nfs/dbraw/zinc/96/53/11/412965311.db2.gz LWIAJQUFYJDPEL-VXGBXAGGSA-N 2 0 265.401 1.165 10 0 CDAERP C[C@@H](NC(=O)C1([NH2+]C2CC2)CCC1)[C@H]1CCC[NH2+]C1 ZINC000662403407 412967248 /nfs/dbraw/zinc/96/72/48/412967248.db2.gz LWIAJQUFYJDPEL-NEPJUHHUSA-N 2 0 265.401 1.165 10 0 CDAERP COCCOCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367638756 285090470 /nfs/dbraw/zinc/09/04/70/285090470.db2.gz QJQVMPJQXWWCOG-RBSFLKMASA-N 2 0 270.417 1.502 10 0 CDAERP CC(C)[NH2+]CCCNC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662410738 412981330 /nfs/dbraw/zinc/98/13/30/412981330.db2.gz MQLJEOBMRHIJBG-HNNXBMFYSA-N 2 0 275.396 1.725 10 0 CDAERP [NH3+]C[C@H](NC(=O)C1([NH2+]C2CC2)CCC1)C1CCCCC1 ZINC000662417887 412990575 /nfs/dbraw/zinc/99/05/75/412990575.db2.gz NMBORBUFLUXASQ-AWEZNQCLSA-N 2 0 279.428 1.685 10 0 CDAERP OC[C@@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)CC1CC1 ZINC000657716536 412998907 /nfs/dbraw/zinc/99/89/07/412998907.db2.gz MACOTEFYQWOKJN-CQSZACIVSA-N 2 0 286.379 1.766 10 0 CDAERP CCC([NH3+])(CC)CNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662425172 413004130 /nfs/dbraw/zinc/00/41/30/413004130.db2.gz BIJBHLZNGXNJDX-UHFFFAOYSA-N 2 0 253.390 1.295 10 0 CDAERP CCN(C(=O)NC[C@H](C)[NH+](C)C1CC1)[C@@H]1CC[N@H+](C)C1 ZINC000663999537 413007063 /nfs/dbraw/zinc/00/70/63/413007063.db2.gz RZHCXLKQNDAQFK-GXTWGEPZSA-N 2 0 282.432 1.205 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000335407657 285200811 /nfs/dbraw/zinc/20/08/11/285200811.db2.gz SSWGNIMUWDSEQL-ZDUSSCGKSA-N 2 0 265.401 1.215 10 0 CDAERP CC[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)CC[C@H]1[NH3+] ZINC000648126517 390145502 /nfs/dbraw/zinc/14/55/02/390145502.db2.gz LPKVCZOWTAOXQG-DGCLKSJQSA-N 2 0 276.384 1.347 10 0 CDAERP C[C@@]1(C[N@@H+]2CCOCC3(CCCC3)C2)CC[NH2+]C1 ZINC000647538914 390687296 /nfs/dbraw/zinc/68/72/96/390687296.db2.gz NKCJWZAIJQGPGI-CQSZACIVSA-N 2 0 252.402 1.879 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CC(C)(C)[C@]2(O)CCOC2)CC[N@@H+]1C ZINC000647340315 390943316 /nfs/dbraw/zinc/94/33/16/390943316.db2.gz HNHAQIHECASOHW-NFAWXSAZSA-N 2 0 270.417 1.236 10 0 CDAERP CC(C)[NH+]1CCC([NH2+]CC(C)(C)[C@@]2(O)CCOC2)CC1 ZINC000647339509 390943341 /nfs/dbraw/zinc/94/33/41/390943341.db2.gz UPMGHUUNFODIKP-MRXNPFEDSA-N 2 0 284.444 1.626 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648210184 390952926 /nfs/dbraw/zinc/95/29/26/390952926.db2.gz LXMHXZNPVOXFPA-AVGNSLFASA-N 2 0 265.401 1.165 10 0 CDAERP [NH3+]CCc1nc(C(=O)N[C@@H]2CC[NH2+]C23CCCC3)cs1 ZINC000648210691 390953223 /nfs/dbraw/zinc/95/32/23/390953223.db2.gz YGSUKBNNOKMQGK-LLVKDONJSA-N 2 0 294.424 1.049 10 0 CDAERP C[C@]1(CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)CC[NH2+]C1 ZINC000647513979 390980536 /nfs/dbraw/zinc/98/05/36/390980536.db2.gz ZQYNXSDTAMSYKB-HOTGVXAUSA-N 2 0 281.444 1.173 10 0 CDAERP C1[C@@H]2CC[C@@H]([NH2+][C@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C[C@H]12 ZINC000647804752 391053159 /nfs/dbraw/zinc/05/31/59/391053159.db2.gz YFYWYQZJBCVDOA-IATJYDTKSA-N 2 0 264.413 1.922 10 0 CDAERP CC[C@H]1C[C@@H]([NH2+]CCCC[NH+]2CCOCC2)CCO1 ZINC000648424458 391167511 /nfs/dbraw/zinc/16/75/11/391167511.db2.gz ZHJYSJHTHVXSGY-GJZGRUSLSA-N 2 0 270.417 1.646 10 0 CDAERP CC[N@H+](CCNC(=O)NC[C@@H]1CCC[NH+]1C)C(C)C ZINC000338829819 391225753 /nfs/dbraw/zinc/22/57/53/391225753.db2.gz SOKWHNXQRPMQRJ-ZDUSSCGKSA-N 2 0 270.421 1.110 10 0 CDAERP C[C@@H](CC[NH+](C)C)NC(=O)NCC[N@H+](C)C1CCCCC1 ZINC000338499999 391207743 /nfs/dbraw/zinc/20/77/43/391207743.db2.gz PBVIPOYJCNAAQW-AWEZNQCLSA-N 2 0 298.475 1.890 10 0 CDAERP Fc1ccc(N2CC[C@H](N[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000335166651 391353622 /nfs/dbraw/zinc/35/36/22/391353622.db2.gz ABPPWPAQQBFECQ-KBPBESRZSA-N 2 0 263.360 1.746 10 0 CDAERP O=C(NCC[C@H]1CCC[NH2+]C1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000418361704 391410563 /nfs/dbraw/zinc/41/05/63/391410563.db2.gz GZHVWPKAIAGCHB-HUUCEWRRSA-N 2 0 292.427 1.032 10 0 CDAERP CC[C@H]1CN(Cc2nnc(C)n2CC)CC[C@H]1[NH3+] ZINC000647934372 391377732 /nfs/dbraw/zinc/37/77/32/391377732.db2.gz CFMLQEPXPQPZHS-NWDGAFQWSA-N 2 0 251.378 1.166 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000418362265 391411118 /nfs/dbraw/zinc/41/11/18/391411118.db2.gz HOBKMUQJXQDXJY-MJBXVCDLSA-N 2 0 282.432 1.110 10 0 CDAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000531190995 391397804 /nfs/dbraw/zinc/39/78/04/391397804.db2.gz YEGWCWGLUQRMAL-FICVDOATSA-N 2 0 281.444 1.374 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000335422914 391435517 /nfs/dbraw/zinc/43/55/17/391435517.db2.gz IOAXDZHEYJGWGD-WBVHZDCISA-N 2 0 293.455 1.853 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000355411369 391454651 /nfs/dbraw/zinc/45/46/51/391454651.db2.gz SDASITJPYKMUAB-ZNMIVQPWSA-N 2 0 283.460 1.952 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000417830796 391499654 /nfs/dbraw/zinc/49/96/54/391499654.db2.gz RSVLHRZTJCXZHQ-VXGBXAGGSA-N 2 0 296.390 1.292 10 0 CDAERP CC[NH+](CC)CCC[N@H+](C[C@H]1CCC(=O)N1)C(C)C ZINC000412074214 391578982 /nfs/dbraw/zinc/57/89/82/391578982.db2.gz JNCWLMUHFCWFIU-CQSZACIVSA-N 2 0 269.433 1.707 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2COC2)[C@@H](C)C1 ZINC000528025906 391584338 /nfs/dbraw/zinc/58/43/38/391584338.db2.gz PHTQBAXRXAVOOF-ZFWWWQNUSA-N 2 0 270.417 1.359 10 0 CDAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NC1CC[NH2+]CC1 ZINC000417538932 391646527 /nfs/dbraw/zinc/64/65/27/391646527.db2.gz URNKXMNOOLCLGK-STQMWFEESA-N 2 0 282.432 1.301 10 0 CDAERP COC[C@H](C)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000527365823 391654367 /nfs/dbraw/zinc/65/43/67/391654367.db2.gz BHXQBFVLFNKYOL-CBBWQLFWSA-N 2 0 270.417 1.452 10 0 CDAERP O=C1C[C@@H]([C@H]2CCCC[N@@H+]2CCCC2CC[NH2+]CC2)CN1 ZINC000647991185 391680192 /nfs/dbraw/zinc/68/01/92/391680192.db2.gz HSAXYAWCEXYZRY-HZPDHXFCSA-N 2 0 293.455 1.757 10 0 CDAERP C[C@@H](CNC(=O)NCCC[NH3+])[N@H+](C)Cc1ccccc1 ZINC000417591047 391687010 /nfs/dbraw/zinc/68/70/10/391687010.db2.gz RQPVLBALYJESMM-ZDUSSCGKSA-N 2 0 278.400 1.155 10 0 CDAERP c1csc(N2CCC([NH2+][C@H]3CCCC[NH2+]C3)CC2)n1 ZINC000415067712 391743319 /nfs/dbraw/zinc/74/33/19/391743319.db2.gz LCPFYMWFJCHRPH-ZDUSSCGKSA-N 2 0 280.441 1.844 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415033381 391730985 /nfs/dbraw/zinc/73/09/85/391730985.db2.gz BQONZFICUMWKRW-KKUMJFAQSA-N 2 0 253.434 1.824 10 0 CDAERP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)C1CCC1 ZINC000415048143 391737097 /nfs/dbraw/zinc/73/70/97/391737097.db2.gz FRFPXCZVTUIBHG-IUDNXUCKSA-N 2 0 265.445 1.981 10 0 CDAERP CN(C(=O)[C@@H]1CCCCCC[C@@H]1[NH3+])[C@@H]1CC[NH2+]C1 ZINC000179084828 391761759 /nfs/dbraw/zinc/76/17/59/391761759.db2.gz WXGWLRFCWHWRHS-UPJWGTAASA-N 2 0 253.390 1.104 10 0 CDAERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCn2cc(C)cn2)C1 ZINC000341895330 130137483 /nfs/dbraw/zinc/13/74/83/130137483.db2.gz LNTHZVGYLLITQT-MRXNPFEDSA-N 2 0 294.443 1.624 10 0 CDAERP CC[NH2+]Cc1ccccc1NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000647662817 391828966 /nfs/dbraw/zinc/82/89/66/391828966.db2.gz VCZSJQHSSZAFGR-ZDUSSCGKSA-N 2 0 277.368 1.113 10 0 CDAERP CC1(CNC(=O)[C@H]2[NH2+]CCCC2(C)C)CC[NH2+]CC1 ZINC000334972187 391989564 /nfs/dbraw/zinc/98/95/64/391989564.db2.gz OETCCHBVJZYCCV-GFCCVEGCSA-N 2 0 267.417 1.271 10 0 CDAERP C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000263107211 392073699 /nfs/dbraw/zinc/07/36/99/392073699.db2.gz AARIJFDRQSRHST-DZKIICNBSA-N 2 0 279.428 1.591 10 0 CDAERP Cc1cnn([C@@H]2CCC[N@H+](C[C@@]3(C)CC[NH2+]C3)C2)c1 ZINC000261926651 392026237 /nfs/dbraw/zinc/02/62/37/392026237.db2.gz CHDIKSHKRSYSTJ-CABCVRRESA-N 2 0 262.401 1.828 10 0 CDAERP CCCCOC[C@H](O)C[N@H+](C)C1CC[NH+](CCC)CC1 ZINC000195181105 392055200 /nfs/dbraw/zinc/05/52/00/392055200.db2.gz NBTZMJJGTLUXQZ-MRXNPFEDSA-N 2 0 286.460 1.970 10 0 CDAERP CC(C)(C)[C@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000336786737 392060661 /nfs/dbraw/zinc/06/06/61/392060661.db2.gz JEHKHEAJIFOCQY-UONOGXRCSA-N 2 0 254.418 1.811 10 0 CDAERP CC(C)[NH+](CCCNC(=O)N1CC[C@H]([NH3+])[C@@H]1C)C(C)C ZINC000417797057 392061775 /nfs/dbraw/zinc/06/17/75/392061775.db2.gz OWWMMJJHTBDNKU-KBPBESRZSA-N 2 0 284.448 1.626 10 0 CDAERP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)NCC[NH2+]C1CC1 ZINC000646197030 392158108 /nfs/dbraw/zinc/15/81/08/392158108.db2.gz FSUZECGWGLFJJV-OAHLLOKOSA-N 2 0 288.395 1.006 10 0 CDAERP COCCN1CC[C@@H]([NH2+]CCC[C@H]2CCOC2)C1 ZINC000402384920 392097214 /nfs/dbraw/zinc/09/72/14/392097214.db2.gz PJPCXRMLKLHSQH-UONOGXRCSA-N 2 0 256.390 1.113 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC[N@@H+]1C ZINC000252109490 392247180 /nfs/dbraw/zinc/24/71/80/392247180.db2.gz JJACELQMCQGMOM-RYPNDVFKSA-N 2 0 279.428 1.506 10 0 CDAERP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2CC2(C)C)CC[NH2+]CC1 ZINC000423031344 392286907 /nfs/dbraw/zinc/28/69/07/392286907.db2.gz UXWJLXMRTKVIHW-NEPJUHHUSA-N 2 0 268.401 1.696 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCc1cc(F)c(F)c(F)c1 ZINC000423043320 392295424 /nfs/dbraw/zinc/29/54/24/392295424.db2.gz OISMCMKXSMLGNR-LLVKDONJSA-N 2 0 290.329 1.990 10 0 CDAERP [NH3+]CC1CCC([NH2+][C@@H](CO)c2ccsc2)CC1 ZINC000423047844 392299299 /nfs/dbraw/zinc/29/92/99/392299299.db2.gz HHGAURKXLAHXKF-GDKBPFBDSA-N 2 0 254.399 1.889 10 0 CDAERP COc1ccc(F)cc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000423058554 392306653 /nfs/dbraw/zinc/30/66/53/392306653.db2.gz CNCWTTLJSVOAPW-LERXQTSPSA-N 2 0 282.359 1.676 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000423095448 392339672 /nfs/dbraw/zinc/33/96/72/392339672.db2.gz MGMMXQPFRCGXKA-HHTDUIENSA-N 2 0 268.401 1.825 10 0 CDAERP CC(C)C1CC([NH2+]C[C@H](O)C[NH+]2CCCCC2)C1 ZINC000488427412 392356080 /nfs/dbraw/zinc/35/60/80/392356080.db2.gz JYQSXVOPXCXJRC-NRXISQOPSA-N 2 0 254.418 1.857 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000629528699 392384497 /nfs/dbraw/zinc/38/44/97/392384497.db2.gz HBTWPUATWPREPI-NSHDSACASA-N 2 0 266.341 1.302 10 0 CDAERP CC[C@H](NCc1ccc2c[nH+]cn2c1)[C@@H]1CCC[NH2+]1 ZINC000423172216 392412433 /nfs/dbraw/zinc/41/24/33/392412433.db2.gz RURCPOHHBHNCPU-GJZGRUSLSA-N 2 0 258.369 1.955 10 0 CDAERP C[C@@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1)C1C[NH2+]C1 ZINC000423179189 392419496 /nfs/dbraw/zinc/41/94/96/392419496.db2.gz JAUDAGGPNZKYQV-RISCZKNCSA-N 2 0 263.360 1.602 10 0 CDAERP C[C@@H]1C[C@@H](N(C)C(=O)c2conc2C(C)(C)[NH3+])CC[N@@H+]1C ZINC000568232246 392424590 /nfs/dbraw/zinc/42/45/90/392424590.db2.gz JCZFFEXFHRRXOW-MNOVXSKESA-N 2 0 294.399 1.423 10 0 CDAERP COc1ccc([C@@H](NCCC[NH3+])[C@@H]2CCC[NH2+]2)cc1 ZINC000423197194 392434804 /nfs/dbraw/zinc/43/48/04/392434804.db2.gz YHRKMFPYHOFOJU-LSDHHAIUSA-N 2 0 263.385 1.427 10 0 CDAERP CC(C)[C@H]1CN(C(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC[NH2+]1 ZINC000646327509 392527064 /nfs/dbraw/zinc/52/70/64/392527064.db2.gz CTPGJOYDUDIEBZ-RRFJBIMHSA-N 2 0 281.444 1.741 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)[C@@H]2CCC[C@@H]21 ZINC000423253851 392471945 /nfs/dbraw/zinc/47/19/45/392471945.db2.gz WONRIVYZGQMASD-AJNGGQMLSA-N 3 0 251.418 1.448 10 0 CDAERP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)cc1 ZINC000423293251 392492343 /nfs/dbraw/zinc/49/23/43/392492343.db2.gz QNTMMISGPUTQFX-ZLIFDBKOSA-N 2 0 289.423 1.563 10 0 CDAERP C[C@@H](CC(=O)NCCc1ccccc1)[NH2+]CCC[NH3+] ZINC000437807173 392494054 /nfs/dbraw/zinc/49/40/54/392494054.db2.gz YYGHYJVHKOMZGN-ZDUSSCGKSA-N 2 0 263.385 1.062 10 0 CDAERP CCCn1ccnc1CCC[N@H+](C)C[C@@](C)(O)C(C)=O ZINC000450857226 392968147 /nfs/dbraw/zinc/96/81/47/392968147.db2.gz QGBPKPAPSFKGQR-OAHLLOKOSA-N 2 0 281.400 1.498 10 0 CDAERP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)[C@@H]1C ZINC000494920982 393131865 /nfs/dbraw/zinc/13/18/65/393131865.db2.gz GIASNPDIYAOPSB-IIAWOOMASA-N 2 0 288.439 1.968 10 0 CDAERP C[C@@H](C[NH2+][C@@H]1CCC(=O)NC1(C)C)C[NH+]1CCCCC1 ZINC000494925274 393132868 /nfs/dbraw/zinc/13/28/68/393132868.db2.gz STWKYQOJBZKGAX-UONOGXRCSA-N 2 0 281.444 1.755 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCc2ccccc2C1 ZINC000234756350 140232105 /nfs/dbraw/zinc/23/21/05/140232105.db2.gz UPBKHAVJIKKDSY-JKSUJKDBSA-N 2 0 262.397 1.887 10 0 CDAERP CCC[NH+](CCC)CCCNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000236992687 140249245 /nfs/dbraw/zinc/24/92/45/140249245.db2.gz LZEVLAJQDRXDON-KBPBESRZSA-N 2 0 269.433 1.742 10 0 CDAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C[NH+](CC)CC ZINC000245423040 140267185 /nfs/dbraw/zinc/26/71/85/140267185.db2.gz JETXKESSOJMZSW-KBPBESRZSA-N 2 0 267.417 1.413 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H]1C[NH+](C(C)C)C[C@@H]1C ZINC000247003732 140285889 /nfs/dbraw/zinc/28/58/89/140285889.db2.gz GXAXXXFGZFDADC-KKUMJFAQSA-N 2 0 298.475 1.745 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000252438928 140319420 /nfs/dbraw/zinc/31/94/20/140319420.db2.gz ILJLVVNSNOCDOF-KBXIAJHMSA-N 2 0 279.428 1.365 10 0 CDAERP C[NH2+]CCC1CC[NH+](CCn2cc(C)cn2)CC1 ZINC000261559537 140348610 /nfs/dbraw/zinc/34/86/10/140348610.db2.gz DRBQBVIHGHCJLZ-UHFFFAOYSA-N 2 0 250.390 1.513 10 0 CDAERP C[C@@H]1CCCN1C(=O)CC[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261724544 140381474 /nfs/dbraw/zinc/38/14/74/140381474.db2.gz NTRKLICNZYZYOO-TZMCWYRMSA-N 2 0 253.390 1.058 10 0 CDAERP CC(C)[NH+]1CCC(O)(C[NH2+]C2CC(CF)(CF)C2)CC1 ZINC000657907007 413081677 /nfs/dbraw/zinc/08/16/77/413081677.db2.gz DTQOTEABAQMCLO-UHFFFAOYSA-N 2 0 290.398 1.899 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])N1C[C@@H](C)O[C@@H](C)C1 ZINC000656200100 413098477 /nfs/dbraw/zinc/09/84/77/413098477.db2.gz JNJIZBAYWZTQAU-IBEHDNSVSA-N 2 0 283.460 1.591 10 0 CDAERP CO[C@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000658073975 413172436 /nfs/dbraw/zinc/17/24/36/413172436.db2.gz QPQRUAXZBZHSGK-NWANDNLSSA-N 2 0 270.417 1.358 10 0 CDAERP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@H]1CCOC1 ZINC000658074983 413174110 /nfs/dbraw/zinc/17/41/10/413174110.db2.gz GBRNHQUHPQEWMG-IGQOVBAYSA-N 2 0 256.390 1.110 10 0 CDAERP [NH3+]CCCCCCC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000185204631 148393983 /nfs/dbraw/zinc/39/39/83/148393983.db2.gz SKRQQSNMWGLYTL-AVGNSLFASA-N 2 0 253.390 1.091 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)CC[C@H](C)[NH3+])CC1 ZINC000193303324 148620566 /nfs/dbraw/zinc/62/05/66/148620566.db2.gz YYYCDCOUESIPIW-LBPRGKRZSA-N 2 0 255.406 1.352 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000262104938 149018447 /nfs/dbraw/zinc/01/84/47/149018447.db2.gz VWRAGGQFFXTEHK-ABAIWWIYSA-N 2 0 271.368 1.355 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC(CCC[NH+](C)C)CC2)CC[NH2+]1 ZINC000262419007 149061454 /nfs/dbraw/zinc/06/14/54/149061454.db2.gz QHYNVLNKXFCEBP-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H]1C[C@@H](C[NH+]2CCC(c3c[nH]cn3)CC2)CC[NH2+]1 ZINC000334879258 150024792 /nfs/dbraw/zinc/02/47/92/150024792.db2.gz ATHXJSFRWCQDDM-STQMWFEESA-N 3 0 262.401 1.977 10 0 CDAERP CC[C@H](C(=O)N(C)CC[NH2+]CC=C(C)C)[NH+](C)C ZINC001664314305 1172838961 /nfs/dbraw/zinc/83/89/61/1172838961.db2.gz YWIMZCPOWTVTSP-CYBMUJFWSA-N 2 0 255.406 1.341 10 0 CDAERP O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000250811158 304389119 /nfs/dbraw/zinc/38/91/19/304389119.db2.gz DIBHFRKATMCAOD-JONQDZQNSA-N 2 0 291.439 1.604 10 0 CDAERP O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCC2(CC[NH2+]C2)CC1 ZINC000261731478 304388515 /nfs/dbraw/zinc/38/85/15/304388515.db2.gz HRUCMCVRVQOKRC-KKUMJFAQSA-N 2 0 291.439 1.509 10 0 CDAERP [NH3+]Cc1ccc(-n2cc(C[C@H]3CCC[NH2+]C3)nn2)cc1 ZINC000656459737 413291820 /nfs/dbraw/zinc/29/18/20/413291820.db2.gz FOXMRPRHIUTPBN-CYBMUJFWSA-N 2 0 271.368 1.268 10 0 CDAERP C[C@@H]1CC[N@@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC1(C)C ZINC000352326553 155096541 /nfs/dbraw/zinc/09/65/41/155096541.db2.gz JLBSKQVJOYAYOE-OLZOCXBDSA-N 2 0 295.427 1.044 10 0 CDAERP C[C@H]1C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@H]1C ZINC000362430706 159146584 /nfs/dbraw/zinc/14/65/84/159146584.db2.gz OYDFCZOOPPQOAY-BETUJISGSA-N 2 0 279.428 1.317 10 0 CDAERP CC[N@@H+]1CC[C@@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC000362584976 159187047 /nfs/dbraw/zinc/18/70/47/159187047.db2.gz AKSMSAFKCOLWOJ-AWEZNQCLSA-N 2 0 267.417 1.176 10 0 CDAERP C[NH+]1CCC(CC(=O)NCC2=CC[N@H+](C)CC2)CC1 ZINC000362971279 159280889 /nfs/dbraw/zinc/28/08/89/159280889.db2.gz BLTVQVKSCLJPLO-UHFFFAOYSA-N 2 0 265.401 1.096 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000662730999 413396059 /nfs/dbraw/zinc/39/60/59/413396059.db2.gz WCVQYNBHRBMNFG-UONOGXRCSA-N 2 0 281.375 1.358 10 0 CDAERP CCC[N@H+](C)C[C@H]1CCN(C(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662748317 413426019 /nfs/dbraw/zinc/42/60/19/413426019.db2.gz PMNOZJQNKFAQSH-CQSZACIVSA-N 2 0 293.455 1.851 10 0 CDAERP [NH3+]CCN1CC[NH+](CCCc2cccs2)CC1 ZINC000019933529 170931960 /nfs/dbraw/zinc/93/19/60/170931960.db2.gz GGULEDJSEYUPJR-UHFFFAOYSA-N 2 0 253.415 1.257 10 0 CDAERP [NH3+]Cc1ccccc1NC(=O)CCC[NH+]1CCC(O)CC1 ZINC000022162766 171364848 /nfs/dbraw/zinc/36/48/48/171364848.db2.gz NPOJGOKCBKGXRM-UHFFFAOYSA-N 2 0 291.395 1.321 10 0 CDAERP CC[NH+]1CCN([C@@H](C[NH3+])c2sccc2C)CC1 ZINC000022165644 171365744 /nfs/dbraw/zinc/36/57/44/171365744.db2.gz YCJRTJPJHFASIZ-LBPRGKRZSA-N 2 0 253.415 1.694 10 0 CDAERP CCC[NH+]1CCN(CC(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000022172253 171368792 /nfs/dbraw/zinc/36/87/92/171368792.db2.gz ONHUFUGZUKIZCW-UHFFFAOYSA-N 2 0 290.411 1.111 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)[C@H]1C[C@@H](C)CC[NH2+]1 ZINC000653176114 412116223 /nfs/dbraw/zinc/11/62/23/412116223.db2.gz KKGKAIILUISUJK-UONOGXRCSA-N 2 0 269.433 1.469 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC000653215700 412143904 /nfs/dbraw/zinc/14/39/04/412143904.db2.gz XNMFPYUNPVHNOU-WFASDCNBSA-N 2 0 275.396 1.410 10 0 CDAERP CC(C)([NH3+])c1cc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)on1 ZINC000662829854 413560984 /nfs/dbraw/zinc/56/09/84/413560984.db2.gz WUGIAKIZQFXEDX-BONVTDFDSA-N 2 0 292.383 1.069 10 0 CDAERP CC[NH+]1CCC(C[NH3+])(N(C)Cc2cccs2)CC1 ZINC000035717169 172371029 /nfs/dbraw/zinc/37/10/29/172371029.db2.gz OMVXWXVZGKAOEA-UHFFFAOYSA-N 2 0 267.442 1.993 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C2CCC([NH3+])CC2)C1 ZINC000662845693 413599134 /nfs/dbraw/zinc/59/91/34/413599134.db2.gz JUWYJNZDQUPBFA-IYXRBSQSSA-N 2 0 281.444 1.741 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000220014528 413639724 /nfs/dbraw/zinc/63/97/24/413639724.db2.gz RFKYSANXEHADRM-CYBMUJFWSA-N 2 0 255.406 1.224 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000664798137 413657703 /nfs/dbraw/zinc/65/77/03/413657703.db2.gz DRANNDMPYPCZDR-AEGPPILISA-N 2 0 296.459 1.356 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)c1sccc1C[NH+](C)C ZINC000662925922 413710062 /nfs/dbraw/zinc/71/00/62/413710062.db2.gz FWCLGIYKIUXSMP-GFCCVEGCSA-N 2 0 283.441 1.913 10 0 CDAERP C[C@@H](NC(=O)N1CC2CC1(C[NH3+])C2)C(C)(C)C[NH+](C)C ZINC000659466075 413857659 /nfs/dbraw/zinc/85/76/59/413857659.db2.gz FDHSAXBMVAAFRM-XIKARTHZSA-N 2 0 282.432 1.095 10 0 CDAERP O=C(NCC[NH+]1CCCCCC1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407360484 413943241 /nfs/dbraw/zinc/94/32/41/413943241.db2.gz HFNXAOXDWVTXPV-GJZGRUSLSA-N 2 0 279.428 1.509 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407209192 413896478 /nfs/dbraw/zinc/89/64/78/413896478.db2.gz CFAOGFXMLOGSTD-ZIAGYGMSSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407410280 413953006 /nfs/dbraw/zinc/95/30/06/413953006.db2.gz VRMXZRKFLUSGCF-KBMXLJTQSA-N 2 0 293.455 1.898 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407270405 413912985 /nfs/dbraw/zinc/91/29/85/413912985.db2.gz OYXNYAQEGREFQF-KBPBESRZSA-N 2 0 267.417 1.365 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC000665274169 414008264 /nfs/dbraw/zinc/00/82/64/414008264.db2.gz LHIJTYZHNYYBMA-NXEZZACHSA-N 2 0 250.333 1.621 10 0 CDAERP CC(=O)NCc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000665235191 413961358 /nfs/dbraw/zinc/96/13/58/413961358.db2.gz RFMRMEVUYKYGSM-SJPCQFCGSA-N 2 0 287.407 1.695 10 0 CDAERP CC(C)[NH+](CCNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1)C(C)C ZINC000407435719 413963128 /nfs/dbraw/zinc/96/31/28/413963128.db2.gz ROFMXJNZWFWLCZ-CABCVRRESA-N 2 0 281.444 1.752 10 0 CDAERP CC[NH+](CC)CCC[C@H](C)[NH2+]CCS(=O)(=O)CC ZINC000037370866 173160060 /nfs/dbraw/zinc/16/00/60/173160060.db2.gz RVCQMXXZKPJAID-ZDUSSCGKSA-N 2 0 278.462 1.521 10 0 CDAERP C[NH+]1CCN(CC[NH2+]Cc2ccc(OC(F)F)cc2)CC1 ZINC000037496743 173235839 /nfs/dbraw/zinc/23/58/39/173235839.db2.gz PDPJTTXQFNYYMV-UHFFFAOYSA-N 2 0 299.365 1.625 10 0 CDAERP CN(CC1C[NH+](C)C1)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000661516183 414148152 /nfs/dbraw/zinc/14/81/52/414148152.db2.gz YPLRFTYBCYRHLO-CYBMUJFWSA-N 2 0 282.432 1.062 10 0 CDAERP CO[C@@H](C[NH+]1CCC(C[NH+]2CCOCC2)CC1)C1CCC1 ZINC000659844175 414174862 /nfs/dbraw/zinc/17/48/62/414174862.db2.gz HRJWRHZIZWKVPS-KRWDZBQOSA-N 2 0 296.455 1.846 10 0 CDAERP CC[C@@H]1C[C@H]([NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)CO1 ZINC000657338472 414194197 /nfs/dbraw/zinc/19/41/97/414194197.db2.gz XURPKEFKHXFGEN-DOTOQJQBSA-N 2 0 295.471 1.702 10 0 CDAERP CCN(C(=O)NC1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000663444665 414257998 /nfs/dbraw/zinc/25/79/98/414257998.db2.gz CYRSCDMAWTZDET-CQSZACIVSA-N 2 0 282.432 1.206 10 0 CDAERP [NH3+]C[C@@H]1c2ccccc2CCN1C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663498001 414297395 /nfs/dbraw/zinc/29/73/95/414297395.db2.gz QGYWHKVGORNTCB-BMFZPTHFSA-N 2 0 257.381 1.154 10 0 CDAERP CC(C)[C@H]([NH3+])CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000663502101 414300259 /nfs/dbraw/zinc/30/02/59/414300259.db2.gz FQVOTZXIKQOIRO-KBUPBQIOSA-N 2 0 253.434 1.870 10 0 CDAERP C[C@@H]1C[N@H+](CCCNCc2cnn3c2CCC3)CCCO1 ZINC000657447181 414346094 /nfs/dbraw/zinc/34/60/94/414346094.db2.gz BQPQDOIZSUZFON-CQSZACIVSA-N 2 0 292.427 1.420 10 0 CDAERP C[C@H](CCCCO)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657479275 414379377 /nfs/dbraw/zinc/37/93/77/414379377.db2.gz ZCTQOEVBEFUVDA-CYBMUJFWSA-N 2 0 274.368 1.908 10 0 CDAERP C[NH2+]CCCC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000037770632 173702781 /nfs/dbraw/zinc/70/27/81/173702781.db2.gz WVPLLZLCKHJVMC-UHFFFAOYSA-N 2 0 255.406 1.365 10 0 CDAERP Fc1ccc(/C=C/CN2CCOC3(C[NH2+]C3)C2)cc1 ZINC000663511763 414317899 /nfs/dbraw/zinc/31/78/99/414317899.db2.gz GSAJQHRFSAJERY-OWOJBTEDSA-N 2 0 262.328 1.513 10 0 CDAERP COCCCCC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662157768 414543438 /nfs/dbraw/zinc/54/34/38/414543438.db2.gz QIOZYDOUCDWWSQ-OAHLLOKOSA-N 2 0 270.417 1.334 10 0 CDAERP CC(C)(C)C[N@H+](CCCO)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662257419 414592776 /nfs/dbraw/zinc/59/27/76/414592776.db2.gz OEINMAKCNWWHAB-CYBMUJFWSA-N 2 0 270.417 1.238 10 0 CDAERP [NH3+]C[C@H]1C[N@H+](CCO[C@@H]2CC2(F)F)CC12CCOCC2 ZINC000662273224 414605075 /nfs/dbraw/zinc/60/50/75/414605075.db2.gz KQGOHWAOUBWGFB-NWDGAFQWSA-N 2 0 290.354 1.098 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)C[C@H]([NH3+])c2ccccc2)C1 ZINC000040503567 174300501 /nfs/dbraw/zinc/30/05/01/174300501.db2.gz GNQPGEJXTKWFNX-GJZGRUSLSA-N 2 0 275.396 1.677 10 0 CDAERP C[C@@H]1CCC[C@H]([N@@H+]2CCC[C@@H]2C(=O)N2CC[NH2+]CC2)C1 ZINC000040508072 174303029 /nfs/dbraw/zinc/30/30/29/174303029.db2.gz QVVULQPQNWPTTO-QLFBSQMISA-N 2 0 279.428 1.461 10 0 CDAERP Cc1ccc(C[N@@H+]2CCC[C@H]2C(=O)N2CC[NH2+]CC2)s1 ZINC000040508029 174303074 /nfs/dbraw/zinc/30/30/74/174303074.db2.gz WDAKBESAQBHGAB-AWEZNQCLSA-N 2 0 293.436 1.453 10 0 CDAERP C[C@H]1CCC[C@@H](C(=O)N2CCC([NH+]3CCCCC3)CC2)[NH2+]1 ZINC000040694375 174377902 /nfs/dbraw/zinc/37/79/02/174377902.db2.gz PVDVLPIMVZRUSO-HOCLYGCPSA-N 2 0 293.455 1.994 10 0 CDAERP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC[NH+]1CCCCCC1 ZINC000040768176 174398580 /nfs/dbraw/zinc/39/85/80/174398580.db2.gz AHPJPJXNWVUHKB-OLZOCXBDSA-N 2 0 255.406 1.352 10 0 CDAERP CC(C)[C@H](CNC(=O)C1CC[NH2+]CC1)[NH+]1CCCC1 ZINC000040831061 174412712 /nfs/dbraw/zinc/41/27/12/174412712.db2.gz YQBOFPMPPGPLER-AWEZNQCLSA-N 2 0 267.417 1.223 10 0 CDAERP CC[C@@H]([NH3+])[C@@H](c1cnn(C)c1)N1CC[NH+](CC2CC2)CC1 ZINC000043129211 174979893 /nfs/dbraw/zinc/97/98/93/174979893.db2.gz VTIAZBQMPVOFFN-HZPDHXFCSA-N 2 0 291.443 1.226 10 0 CDAERP CC(C)[NH+]1CCN([C@@H](c2ccccn2)[C@@H](C)[NH3+])CC1 ZINC000043339413 175013903 /nfs/dbraw/zinc/01/39/03/175013903.db2.gz CNHBHSACAFKCEE-UKRRQHHQSA-N 2 0 262.401 1.496 10 0 CDAERP CC(C)(C)[NH+]1CCN(C(=O)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000043591406 175073891 /nfs/dbraw/zinc/07/38/91/175073891.db2.gz IZJHMAHSNMHJER-CQSZACIVSA-N 2 0 281.444 1.709 10 0 CDAERP C[NH+](C)C1CCN(C[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000043596086 175076752 /nfs/dbraw/zinc/07/67/52/175076752.db2.gz UVWADSJHPBCDGP-KRWDZBQOSA-N 2 0 273.424 1.899 10 0 CDAERP C[NH2+]CCC(=O)Nc1ccccc1C[NH+]1CCCC1 ZINC000043604369 175078132 /nfs/dbraw/zinc/07/81/32/175078132.db2.gz DMZWGBTWYHAKRK-UHFFFAOYSA-N 2 0 261.369 1.830 10 0 CDAERP CCC[NH+]1CCN(C[C@@H]([NH2+]C)c2ccccc2OC)CC1 ZINC000043805263 175107859 /nfs/dbraw/zinc/10/78/59/175107859.db2.gz SZSOGYAOUQJMIK-MRXNPFEDSA-N 2 0 291.439 1.983 10 0 CDAERP CC[NH+]1CCN(C[C@H]([NH2+]C)c2cc(C)ccc2OC)CC1 ZINC000043805854 175108230 /nfs/dbraw/zinc/10/82/30/175108230.db2.gz HHUIGOOOMXMHIH-INIZCTEOSA-N 2 0 291.439 1.902 10 0 CDAERP CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N1CC[NH+](C)CC1 ZINC000043810936 175110115 /nfs/dbraw/zinc/11/01/15/175110115.db2.gz GAJFQLFMRYRCGH-KKUMJFAQSA-N 2 0 253.434 1.791 10 0 CDAERP C[NH2+][C@@H](c1ccc(OC)cc1)[C@H](C)N1CCC[N@H+](C)CC1 ZINC000043818175 175113335 /nfs/dbraw/zinc/11/33/35/175113335.db2.gz WVNZAQRQKZIEOS-WMLDXEAASA-N 2 0 291.439 1.982 10 0 CDAERP CC[NH2+][C@H]1CCOC[C@H]1N1CC[NH+](C(C)(C)C)CC1 ZINC000043965655 175127381 /nfs/dbraw/zinc/12/73/81/175127381.db2.gz ZPESBSKWFIESMM-UONOGXRCSA-N 2 0 269.433 1.170 10 0 CDAERP C[NH2+][C@@H]1c2ccccc2C[C@@H]1N1CC[NH+](CC2CC2)CC1 ZINC000043967864 175129058 /nfs/dbraw/zinc/12/90/58/175129058.db2.gz SXIQEICWXHPOLA-ZWKOTPCHSA-N 2 0 285.435 1.899 10 0 CDAERP CCC[NH2+][C@H]1CCOC[C@@H]1N(CC[NH+](C)C)CC(C)C ZINC000043982408 175134254 /nfs/dbraw/zinc/13/42/54/175134254.db2.gz GXQOERVZJAHKLE-HOTGVXAUSA-N 2 0 285.476 1.663 10 0 CDAERP [NH3+]CCCN1CCC[N@H+](CCOc2ccccc2)CC1 ZINC000044421446 175173751 /nfs/dbraw/zinc/17/37/51/175173751.db2.gz YNMWMOHNDWPRFI-UHFFFAOYSA-N 2 0 277.412 1.422 10 0 CDAERP CC(C)CN1CCO[C@H](C[NH+]2CCC(C[NH3+])CC2)C1 ZINC000044513752 175189484 /nfs/dbraw/zinc/18/94/84/175189484.db2.gz HRQMXEVQMVFETO-OAHLLOKOSA-N 2 0 269.433 1.014 10 0 CDAERP CC[C@H](C)[C@@H]([NH3+])C(=O)NCC1CC[NH+](CC)CC1 ZINC000044526753 175191987 /nfs/dbraw/zinc/19/19/87/175191987.db2.gz VAVMGDWQXNMRBV-WCQYABFASA-N 2 0 255.406 1.208 10 0 CDAERP [NH3+]Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044680870 175229186 /nfs/dbraw/zinc/22/91/86/175229186.db2.gz NAXHYJPEXWYEIM-CYBMUJFWSA-N 2 0 274.368 1.504 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)C1(C[NH3+])CCCCC1 ZINC000044763702 175247996 /nfs/dbraw/zinc/24/79/96/175247996.db2.gz LXJJVZBYJFCHMM-ZDUSSCGKSA-N 2 0 269.433 1.598 10 0 CDAERP CCOC(=O)[C@@H](C)C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000045134764 175312810 /nfs/dbraw/zinc/31/28/10/175312810.db2.gz HRWPCUHPLOUYQM-STQMWFEESA-N 2 0 256.390 1.506 10 0 CDAERP CC1CC[NH+](CCC[C@](C)([NH2+]C2CC2)C(N)=O)CC1 ZINC000045375043 175365340 /nfs/dbraw/zinc/36/53/40/175365340.db2.gz LGRKJLNPKUTENC-HNNXBMFYSA-N 2 0 267.417 1.495 10 0 CDAERP CCC[NH2+][C@](C)(CCCC[NH+]1CCCC1)C(N)=O ZINC000045375285 175366472 /nfs/dbraw/zinc/36/64/72/175366472.db2.gz JIKIKSJGNLKKJW-CQSZACIVSA-N 2 0 255.406 1.496 10 0 CDAERP CC(C)C[N@H+](C)CCC[C@@](C)([NH2+]C(C)C)C(N)=O ZINC000045381047 175370038 /nfs/dbraw/zinc/37/00/38/175370038.db2.gz JGOOGDWNBQSRAE-CQSZACIVSA-N 2 0 257.422 1.596 10 0 CDAERP CC(C)C[N@H+](C)CCCC[C@](C)([NH2+]C1CC1)C(N)=O ZINC000045380925 175370430 /nfs/dbraw/zinc/37/04/30/175370430.db2.gz UQKASIORMMXAIT-HNNXBMFYSA-N 2 0 269.433 1.741 10 0 CDAERP CC[N@H+](CCC[C@](C)([NH2+]C(C)C)C(N)=O)C(C)C ZINC000045383888 175371017 /nfs/dbraw/zinc/37/10/17/175371017.db2.gz VWCZSZXVFHXUJJ-AWEZNQCLSA-N 2 0 257.422 1.739 10 0 CDAERP CC(C)[NH2+][C@](C)(CCCC[N@H+](C)C1CC1)C(N)=O ZINC000045383244 175371265 /nfs/dbraw/zinc/37/12/65/175371265.db2.gz KFKXAKJLZQQFSR-CQSZACIVSA-N 2 0 255.406 1.493 10 0 CDAERP CC[N@H+](CCC[C@@](C)([NH2+]C(C)C)C(N)=O)C1CC1 ZINC000045386607 175372735 /nfs/dbraw/zinc/37/27/35/175372735.db2.gz RPACMIAGWVMSLA-CQSZACIVSA-N 2 0 255.406 1.493 10 0 CDAERP C[NH2+][C@@](C)(CCCC[N@H+](C)[C@@H](C)C1CC1)C(N)=O ZINC000045392853 175375627 /nfs/dbraw/zinc/37/56/27/175375627.db2.gz ZPTXROYATRKQEM-FZMZJTMJSA-N 2 0 255.406 1.350 10 0 CDAERP CC(C)(C)N1CC[NH+](C[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000070578532 175994393 /nfs/dbraw/zinc/99/43/93/175994393.db2.gz UNOXJVJZNRYPIY-KGLIPLIRSA-N 2 0 253.434 1.920 10 0 CDAERP CC(C)C[C@@H](C[NH+](C)C)N1CC[C@@H]([NH2+]C2CC2)C1=O ZINC000071031980 176022801 /nfs/dbraw/zinc/02/28/01/176022801.db2.gz NUPIQNVPPAYNLI-UONOGXRCSA-N 2 0 267.417 1.316 10 0 CDAERP CC(C)[NH2+][C@@H]1CCCN(CC[NH+]2CCCCC2)C1=O ZINC000071032247 176023621 /nfs/dbraw/zinc/02/36/21/176023621.db2.gz GNIZEIJYJWKBBT-CQSZACIVSA-N 2 0 267.417 1.461 10 0 CDAERP CCC[NH2+][C@H]1CCCN([C@@H]2CCC[N@H+](CC)C2)C1=O ZINC000071033619 176024115 /nfs/dbraw/zinc/02/41/15/176024115.db2.gz WPEUKJGVNLWEJB-KGLIPLIRSA-N 2 0 267.417 1.461 10 0 CDAERP CCC[NH2+][C@@H]1CCN([C@H](C[NH+](C)C)C(C)C)C1=O ZINC000071034277 176024487 /nfs/dbraw/zinc/02/44/87/176024487.db2.gz FBBLWMYMHUKGIQ-CHWSQXEVSA-N 2 0 255.406 1.173 10 0 CDAERP CC(C)[NH2+][C@H]1CCN([C@H](C)C[NH+]2CCCCC2)C1=O ZINC000071037355 176026167 /nfs/dbraw/zinc/02/61/67/176026167.db2.gz ZPANOVXBHWZXRP-KGLIPLIRSA-N 2 0 267.417 1.460 10 0 CDAERP CC[NH2+][C@@H]1CCN(CCC[N@H+](C)Cc2ccccc2)C1=O ZINC000071037933 176026591 /nfs/dbraw/zinc/02/65/91/176026591.db2.gz QUVHPPRWTFBODQ-MRXNPFEDSA-N 2 0 289.423 1.719 10 0 CDAERP CC[C@@H](CC[NH3+])[N@@H+]1CCCN(c2cncc(OC)n2)CC1 ZINC000071175812 176054542 /nfs/dbraw/zinc/05/45/42/176054542.db2.gz KMJBPQPGNLPYRA-ZDUSSCGKSA-N 2 0 293.415 1.125 10 0 CDAERP CN(C[C@@H]1CC[N@H+](C)C1)[C@@H](C[NH3+])c1cccc(F)c1 ZINC000071188001 176062327 /nfs/dbraw/zinc/06/23/27/176062327.db2.gz GSNPQMPCGLEZQB-DOMZBBRYSA-N 2 0 265.376 1.709 10 0 CDAERP C[C@H]1CC[C@@H](C[NH3+])[C@H](N(C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071188209 176063006 /nfs/dbraw/zinc/06/30/06/176063006.db2.gz MNIYMQASTUYKCT-LJISPDSOSA-N 2 0 253.434 1.633 10 0 CDAERP CC[NH2+]Cc1c(C)nn(C)c1N(C)C[C@H]1CC[N@H+](C)C1 ZINC000071190048 176065975 /nfs/dbraw/zinc/06/59/75/176065975.db2.gz RSCUHDCZKYGVCV-ZDUSSCGKSA-N 2 0 279.432 1.226 10 0 CDAERP C[C@@H]([C@@H](O)c1ccccc1)[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190671 176067830 /nfs/dbraw/zinc/06/78/30/176067830.db2.gz RVYJKOUGUXKHGK-SQWLQELKSA-N 2 0 262.397 1.992 10 0 CDAERP CC[N@@H+]1CC[C@H](CN2CCC[C@H]([NH2+]C(C)C)C2)C1 ZINC000071199236 176077219 /nfs/dbraw/zinc/07/72/19/176077219.db2.gz ZICUVRWLMRLLMO-GJZGRUSLSA-N 2 0 253.434 1.791 10 0 CDAERP C[NH2+][C@H]1CCCN(C[C@@H](c2cccc(OC)c2)[NH+](C)C)C1 ZINC000071198487 176077307 /nfs/dbraw/zinc/07/73/07/176077307.db2.gz ZXHUDMPKRVLSMR-RDJZCZTQSA-N 2 0 291.439 1.982 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000071378382 176142989 /nfs/dbraw/zinc/14/29/89/176142989.db2.gz CLCHHLNRKPERAB-GFCCVEGCSA-N 2 0 255.406 1.223 10 0 CDAERP CC[C@@](C)(C[NH2+]C1CC1)CN1CC[NH+](CC(C)(C)O)CC1 ZINC000071381816 176145596 /nfs/dbraw/zinc/14/55/96/176145596.db2.gz HCOLENWPRQHIJP-KRWDZBQOSA-N 2 0 297.487 1.543 10 0 CDAERP [NH3+][C@H]1CC[C@H](N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000071585796 176211897 /nfs/dbraw/zinc/21/18/97/176211897.db2.gz WCYJLBNPXNCUSG-HOTGVXAUSA-N 2 0 259.397 1.684 10 0 CDAERP CC[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]C(C)C ZINC001665845101 1173073031 /nfs/dbraw/zinc/07/30/31/1173073031.db2.gz XEDYQDGODJQFOJ-CHWSQXEVSA-N 2 0 255.406 1.221 10 0 CDAERP CCN1CC[NH+](C[C@H](CC[NH3+])c2cccn2C)CC1 ZINC000076680394 177058387 /nfs/dbraw/zinc/05/83/87/177058387.db2.gz RUJUPZCBTJUTKB-AWEZNQCLSA-N 2 0 264.417 1.095 10 0 CDAERP CC(C)C[C@@H](CNC(=O)C[NH2+]C(C)(C)C)[NH+](C)C ZINC000078742942 177380720 /nfs/dbraw/zinc/38/07/20/177380720.db2.gz AJVRYYPWBFXILP-LBPRGKRZSA-N 2 0 257.422 1.467 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CCCC1(F)F ZINC000390581912 262223259 /nfs/dbraw/zinc/22/32/59/262223259.db2.gz DUOFYPIVYFHJPW-MNOVXSKESA-N 2 0 250.333 1.765 10 0 CDAERP O=C([C@@H]1C[C@]12CCC[NH2+]C2)N1CCC(c2c[nH]cn2)CC1 ZINC000655448572 423872606 /nfs/dbraw/zinc/87/26/06/423872606.db2.gz PXGDAYZEYQUPDQ-BBRMVZONSA-N 2 0 288.395 1.505 10 0 CDAERP COCC[N@@H+]1CCN(C(=O)CCCC[NH+](C)C)C(C)(C)C1 ZINC000652925997 423889437 /nfs/dbraw/zinc/88/94/37/423889437.db2.gz HYRAXPBKDSBKLJ-UHFFFAOYSA-N 2 0 299.459 1.288 10 0 CDAERP CC1([NH3+])CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662269565 423821676 /nfs/dbraw/zinc/82/16/76/423821676.db2.gz AAFNQPRDEJHBMA-UHFFFAOYSA-N 3 0 259.397 1.646 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCC1([NH3+])CCCCCC1 ZINC000418284339 423855312 /nfs/dbraw/zinc/85/53/12/423855312.db2.gz MLTBHTGMOSWACT-OLZOCXBDSA-N 2 0 282.432 1.335 10 0 CDAERP Oc1ccc2c(c1)C[N@@H+](CC[C@@H]1CCC[NH2+]C1)CCO2 ZINC000662318279 423950518 /nfs/dbraw/zinc/95/05/18/423950518.db2.gz YMBQKZLJKAWOHV-ZDUSSCGKSA-N 2 0 276.380 1.976 10 0 CDAERP CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[NH+](C)C ZINC000655245578 424058242 /nfs/dbraw/zinc/05/82/42/424058242.db2.gz PFSZJFXMIXSUHV-FRRDWIJNSA-N 2 0 255.406 1.029 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)NC1(C)CC[NH2+]CC1 ZINC000652224630 424082133 /nfs/dbraw/zinc/08/21/33/424082133.db2.gz DBGZUQRVJPISCX-UHFFFAOYSA-N 2 0 284.448 1.406 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655246929 424091676 /nfs/dbraw/zinc/09/16/76/424091676.db2.gz PZHZUKBWVMMKEO-SYQHCUMBSA-N 2 0 267.417 1.316 10 0 CDAERP [NH3+]CC1(CCNC(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000652208407 424038591 /nfs/dbraw/zinc/03/85/91/424038591.db2.gz DDNFDAYSPKIVCD-ZDUSSCGKSA-N 2 0 276.384 1.115 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)cc1 ZINC000653054497 424179695 /nfs/dbraw/zinc/17/96/95/424179695.db2.gz XXUIVPUITDMWSU-IUIKQTSFSA-N 2 0 287.407 1.853 10 0 CDAERP O=C(N1CC[C@H](C[NH+]2CCCC2)C1)C1([NH2+]C2CC2)CCC1 ZINC000662743814 424398969 /nfs/dbraw/zinc/39/89/69/424398969.db2.gz UULBGIOQBZRGCV-CQSZACIVSA-N 2 0 291.439 1.605 10 0 CDAERP CCO[C@H](CC[NH+](C)C)CNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662749566 424401637 /nfs/dbraw/zinc/40/16/37/424401637.db2.gz JPPCRJSTSMBDBT-CQSZACIVSA-N 2 0 297.443 1.134 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000659624255 424433365 /nfs/dbraw/zinc/43/33/65/424433365.db2.gz PVUSTOVIIPVMQQ-HUUCEWRRSA-N 2 0 296.459 1.630 10 0 CDAERP C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1cnn(C)c1)[C@@H]1CCC[NH2+]1 ZINC000665273123 424486114 /nfs/dbraw/zinc/48/61/14/424486114.db2.gz QFPMFTLKOTVJSB-QCEMKRCNSA-N 2 0 276.428 1.861 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000655489687 424506484 /nfs/dbraw/zinc/50/64/84/424506484.db2.gz ZGSXPYXFQOEMPV-RMEBNNNOSA-N 2 0 279.428 1.364 10 0 CDAERP COc1cccc([C@H](C)[N@H+](C)CCN2CC[NH2+]CC2)c1 ZINC000071148592 424654195 /nfs/dbraw/zinc/65/41/95/424654195.db2.gz LBNIROROMPBMQY-AWEZNQCLSA-N 2 0 277.412 1.593 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@H]1COc2ccc(C)cc21 ZINC000516562362 270478650 /nfs/dbraw/zinc/47/86/50/270478650.db2.gz RFFLUJWQEJXDQH-OCCSQVGLSA-N 2 0 264.369 1.772 10 0 CDAERP C(C[C@@H]1CCCOC1)[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000530206511 271150157 /nfs/dbraw/zinc/15/01/57/271150157.db2.gz AEMBZHLBUJMYBV-ZJIFWQFVSA-N 2 0 282.428 1.550 10 0 CDAERP [NH3+]CC1CC[NH+](Cc2cc(CO)ccc2F)CC1 ZINC000530207464 271150453 /nfs/dbraw/zinc/15/04/53/271150453.db2.gz PNIGXEYEEQQZDZ-UHFFFAOYSA-N 2 0 252.333 1.489 10 0 CDAERP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCCc3n[nH]cc32)CC1(C)C ZINC000367616389 277106428 /nfs/dbraw/zinc/10/64/28/277106428.db2.gz OCWXHEPGMQSICX-CQSZACIVSA-N 2 0 291.443 1.403 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C2CCC([NH3+])CC2)[C@H]2CCC[C@@H]21 ZINC000423234064 277169571 /nfs/dbraw/zinc/16/95/71/277169571.db2.gz PADYSKZOJCVLDL-IFOPZJACSA-N 3 0 251.418 1.719 10 0 CDAERP CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423190118 277258849 /nfs/dbraw/zinc/25/88/49/277258849.db2.gz RRHOHIHSKXEMOF-KBPBESRZSA-N 2 0 253.434 1.696 10 0 CDAERP C[C@@H](CC[NH2+]CC1CCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001668309929 1173394454 /nfs/dbraw/zinc/39/44/54/1173394454.db2.gz OOMFXHZDNTZLFK-GXTWGEPZSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)CCO1 ZINC000429016017 278012009 /nfs/dbraw/zinc/01/20/09/278012009.db2.gz AJHDMFPCWWSQMB-KFWWJZLASA-N 2 0 252.402 1.829 10 0 CDAERP C[C@@H]([NH2+]C1CCN(c2ccccn2)CC1)[C@@H]1CCC[NH2+]1 ZINC000400422900 278336334 /nfs/dbraw/zinc/33/63/34/278336334.db2.gz XOBRMNBSLYHNRV-HIFRSBDPSA-N 2 0 274.412 1.781 10 0 CDAERP CC[C@H]([NH2+]CCC[NH3+])c1ccccc1OCC(=O)N(C)C ZINC000423176864 288039831 /nfs/dbraw/zinc/03/98/31/288039831.db2.gz IDLSNENIOVRYSG-AWEZNQCLSA-N 2 0 293.411 1.543 10 0 CDAERP C[C@@H]1C[N@H+](C)C[C@@H]1NCC1(C[NH+](C)C)CCCC1 ZINC000353165209 288089657 /nfs/dbraw/zinc/08/96/57/288089657.db2.gz HMQYTUDOERXHAT-KGLIPLIRSA-N 2 0 253.434 1.648 10 0 CDAERP CC[NH+](CC)CCN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000245574628 279104296 /nfs/dbraw/zinc/10/42/96/279104296.db2.gz AMSMLDWDZBSEEJ-GJZGRUSLSA-N 2 0 253.434 1.744 10 0 CDAERP CC(C)C[C@H](C[NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000236758147 279134237 /nfs/dbraw/zinc/13/42/37/279134237.db2.gz NFYBWFJPNXYVLH-BFHYXJOUSA-N 2 0 269.433 1.549 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415105497 279179012 /nfs/dbraw/zinc/17/90/12/279179012.db2.gz IDKQADMTLQQTTR-HRCADAONSA-N 2 0 283.460 1.578 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@H]1C[NH2+]CCC1(F)F ZINC000423483851 288125760 /nfs/dbraw/zinc/12/57/60/288125760.db2.gz RWXADHPAHAITLB-USWWRNFRSA-N 2 0 259.344 1.056 10 0 CDAERP CC[NH+]1CCC(CC[NH2+][C@H](C)Cn2cccn2)CC1 ZINC000138638262 279856491 /nfs/dbraw/zinc/85/64/91/279856491.db2.gz XMNURBLGORPNPO-CQSZACIVSA-N 2 0 264.417 1.983 10 0 CDAERP CCC[C@H](C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)[NH+](C)C ZINC000245898965 280237711 /nfs/dbraw/zinc/23/77/11/280237711.db2.gz TUHURYWPJJKQSF-BFHYXJOUSA-N 2 0 269.433 1.706 10 0 CDAERP CC[C@@H]1CCCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414694386 280238874 /nfs/dbraw/zinc/23/88/74/280238874.db2.gz FWEMTYMQGGKFCH-LSDHHAIUSA-N 2 0 281.444 1.838 10 0 CDAERP CC[NH+](CC)CCNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000246423986 280278968 /nfs/dbraw/zinc/27/89/68/280278968.db2.gz MAAAHRWBAMNNSP-GJZGRUSLSA-N 2 0 298.475 1.700 10 0 CDAERP CCC[C@H](C(=O)NCCCC[N@@H+]1CCC[C@H]1CO)[NH+](C)C ZINC000246605385 280294266 /nfs/dbraw/zinc/29/42/66/280294266.db2.gz GXNIAGDNVBNIKS-LSDHHAIUSA-N 2 0 299.459 1.070 10 0 CDAERP CC[NH+](CC)CC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247456680 280334783 /nfs/dbraw/zinc/33/47/83/280334783.db2.gz TZXDWLJWZVSQMP-OLZOCXBDSA-N 2 0 255.406 1.173 10 0 CDAERP CCCCOC[C@H](O)C[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000248658548 280372032 /nfs/dbraw/zinc/37/20/32/280372032.db2.gz UIEMUVSYPWDZDR-OAGGEKHMSA-N 2 0 286.460 1.826 10 0 CDAERP C[C@H](C[NH2+]C1CCC(C[NH+](C)C)CC1)S(C)(=O)=O ZINC000519638091 281034460 /nfs/dbraw/zinc/03/44/60/281034460.db2.gz LGCRSONWRAJWRS-PNESKVBLSA-N 2 0 276.446 1.130 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000519815666 281043029 /nfs/dbraw/zinc/04/30/29/281043029.db2.gz WUSVYKVJSSIUFQ-FQUUOJAGSA-N 2 0 280.416 1.040 10 0 CDAERP C[NH+](C)CC1(C[NH2+][C@H](C2CC2)[C@@H]2CNCCO2)CCCC1 ZINC000423037892 289095022 /nfs/dbraw/zinc/09/50/22/289095022.db2.gz NKCJBNWPDSMOSS-JKSUJKDBSA-N 2 0 295.471 1.465 10 0 CDAERP C[C@@]1(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)CC[NH2+]C1 ZINC000336111762 289134187 /nfs/dbraw/zinc/13/41/87/289134187.db2.gz BMGOYJXUCZCUGR-GDBMZVCRSA-N 2 0 279.428 1.320 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423740140 289210612 /nfs/dbraw/zinc/21/06/12/289210612.db2.gz ILZBTCZQZGMHQE-QLFBSQMISA-N 2 0 279.428 1.175 10 0 CDAERP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000234243176 289294075 /nfs/dbraw/zinc/29/40/75/289294075.db2.gz PZMXWPMTMPBBEC-OLZOCXBDSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000262689612 289399536 /nfs/dbraw/zinc/39/95/36/289399536.db2.gz ZACSJSWXINVIFE-XUWVNRHRSA-N 2 0 295.471 1.988 10 0 CDAERP COC[C@](C)(O)C[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000542319156 289539873 /nfs/dbraw/zinc/53/98/73/289539873.db2.gz DETNYCCRMFYRGZ-OAHLLOKOSA-N 2 0 290.367 1.063 10 0 CDAERP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC000553369870 290115803 /nfs/dbraw/zinc/11/58/03/290115803.db2.gz FPPGBHTVNKOWHJ-RBSFLKMASA-N 2 0 281.444 1.565 10 0 CDAERP CC[NH+](CC)CC1CC[NH+]([C@H]2CCCN(C)C2=O)CC1 ZINC000554513393 290168203 /nfs/dbraw/zinc/16/82/03/290168203.db2.gz DTAYKVMZVVUXFM-HNNXBMFYSA-N 2 0 281.444 1.661 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCC(=O)NC(C)(C)C)[C@@H]2CCC[C@@H]21 ZINC000353385078 290216795 /nfs/dbraw/zinc/21/67/95/290216795.db2.gz JNKWLTPCNVRUPU-IHRRRGAJSA-N 2 0 281.444 1.754 10 0 CDAERP C[C@@H]1CN(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CCO1 ZINC000556869300 290312966 /nfs/dbraw/zinc/31/29/66/290312966.db2.gz GUGXJBRCENYIRN-KLHDSHLOSA-N 2 0 281.444 1.170 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CC1(CCO)CCCCC1 ZINC000423006113 292804311 /nfs/dbraw/zinc/80/43/11/292804311.db2.gz OCAJJJSCPUYGFH-CQSZACIVSA-N 2 0 272.433 1.663 10 0 CDAERP CCC[C@H](C(=O)NCC[NH+]1CCCCC1)[NH+](C)C ZINC000161589150 292809418 /nfs/dbraw/zinc/80/94/18/292809418.db2.gz IENWXMQTUXSCQM-CYBMUJFWSA-N 2 0 255.406 1.319 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H](CN(C)C)c1ccc(F)cc1 ZINC000423104925 293097726 /nfs/dbraw/zinc/09/77/26/293097726.db2.gz HNTFWYDRJJDERL-JKSUJKDBSA-N 2 0 297.418 1.772 10 0 CDAERP O=C(NCC[C@@H]1CC[NH2+]C1)NC1CC([NH+]2CCCCC2)C1 ZINC000562812128 293202358 /nfs/dbraw/zinc/20/23/58/293202358.db2.gz GJEVCCBROSGAHT-NFOMZHRRSA-N 2 0 294.443 1.302 10 0 CDAERP Cc1nsc(C)c1C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000570388041 294228032 /nfs/dbraw/zinc/22/80/32/294228032.db2.gz ALPLTHXWYSLMRN-CQSZACIVSA-N 2 0 295.452 1.914 10 0 CDAERP C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)[C@H]1CCC[NH2+]C1 ZINC000572464089 294626544 /nfs/dbraw/zinc/62/65/44/294626544.db2.gz GAMFWDNNUOLMJG-BTFPBAQTSA-N 2 0 264.413 1.922 10 0 CDAERP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCNC[C@H]1C(F)F ZINC000575047208 295091579 /nfs/dbraw/zinc/09/15/79/295091579.db2.gz IJHIOGUNKRTFJM-UWVGGRQHSA-N 2 0 277.359 1.076 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000363651239 295278014 /nfs/dbraw/zinc/27/80/14/295278014.db2.gz KLULNXAGLMJXAV-KKUMJFAQSA-N 2 0 273.380 1.345 10 0 CDAERP O=C(C1CC[NH2+]CC1)N1CCC([NH+]2CCCC2)CC1 ZINC000038101706 295449777 /nfs/dbraw/zinc/44/97/77/295449777.db2.gz ZZUTXMVGFMYLCS-UHFFFAOYSA-N 2 0 265.401 1.073 10 0 CDAERP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000417779566 297112602 /nfs/dbraw/zinc/11/26/02/297112602.db2.gz BJNPUIXWRCXYBN-FIBILERRSA-N 2 0 294.443 1.394 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N(C)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000345631468 300396298 /nfs/dbraw/zinc/39/62/98/300396298.db2.gz PRZASNIIVRHRPU-STQMWFEESA-N 2 0 267.417 1.269 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CC[NH2+]1 ZINC000262317368 300398654 /nfs/dbraw/zinc/39/86/54/300398654.db2.gz CCYSWQWXFLYHOR-HRCADAONSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@H](C[NH2+]CCC(C)(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001669446316 1173551244 /nfs/dbraw/zinc/55/12/44/1173551244.db2.gz DZDWJBLXUCFPGD-CYBMUJFWSA-N 2 0 281.444 1.613 10 0 CDAERP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)C1([NH3+])CCCCC1 ZINC000261707057 303363531 /nfs/dbraw/zinc/36/35/31/303363531.db2.gz UTMGWTRTNSUVJT-VTXSZYRJSA-N 2 0 279.428 1.670 10 0 CDAERP O=C(NC1CC[NH2+]CC1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000334925633 303745003 /nfs/dbraw/zinc/74/50/03/303745003.db2.gz NYFIQHVTYCMOPW-OAHLLOKOSA-N 2 0 294.443 1.398 10 0 CDAERP C[C@@H]1CCC[C@@H](CC[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC000576271443 317107475 /nfs/dbraw/zinc/10/74/75/317107475.db2.gz AQIGORIACRYUJY-IXDOHACOSA-N 2 0 297.487 1.401 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000576373746 317128542 /nfs/dbraw/zinc/12/85/42/317128542.db2.gz RHHZIIFOXXEMCS-MELADBBJSA-N 2 0 282.432 1.158 10 0 CDAERP C[C@H](C[NH2+][C@H]1CCCC12CC2)N1CC[NH+](C)CC1 ZINC000576410144 317134450 /nfs/dbraw/zinc/13/44/50/317134450.db2.gz GXBZGACKHKDPGV-KGLIPLIRSA-N 2 0 251.418 1.545 10 0 CDAERP CC[C@H]1C[N@H+](C)CCN1C(=O)CCN(C)c1cc[nH+]cc1 ZINC000579153438 324119863 /nfs/dbraw/zinc/11/98/63/324119863.db2.gz ZOQQOGFMYLOAEF-AWEZNQCLSA-N 2 0 290.411 1.461 10 0 CDAERP CN(CC[NH2+]CCc1ccccc1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001267354845 1159293147 /nfs/dbraw/zinc/29/31/47/1159293147.db2.gz ACHUWCHXRZRXLN-INIZCTEOSA-N 2 0 289.423 1.371 10 0 CDAERP Cc1cc(C[NH2+]CCN(C)C(=O)CCC[NH+](C)C)sn1 ZINC001691451296 1159310514 /nfs/dbraw/zinc/31/05/14/1159310514.db2.gz WZFOWGGKBMMNCD-UHFFFAOYSA-N 2 0 298.456 1.341 10 0 CDAERP CCOCC[NH2+]CCN(CC)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001268474219 1159952326 /nfs/dbraw/zinc/95/23/26/1159952326.db2.gz PIAKZECKJAMUOD-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP CC/C=C\CC[NH2+]CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001268914452 1160022961 /nfs/dbraw/zinc/02/29/61/1160022961.db2.gz BAFXKUGTHVVQHT-PLNGDYQASA-N 2 0 293.455 1.877 10 0 CDAERP CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]C[C@H](C)OC)[NH+](C)C ZINC001424137522 1160541749 /nfs/dbraw/zinc/54/17/49/1160541749.db2.gz UWEREFHNGVZZAP-RRFJBIMHSA-N 2 0 299.459 1.332 10 0 CDAERP C[NH+](C)[C@@H](CNC(=O)[C@@]1(C)CCC[NH2+]1)c1ccccc1 ZINC000079519447 482373172 /nfs/dbraw/zinc/37/31/72/482373172.db2.gz TUAUAYCITKXNHN-GOEBONIOSA-N 2 0 275.396 1.548 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000227374110 482449639 /nfs/dbraw/zinc/44/96/39/482449639.db2.gz RMOOLKIXYJULQL-MJBXVCDLSA-N 2 0 265.401 1.058 10 0 CDAERP CC(C)(CNC(=O)NC/C=C/C[NH3+])[NH+]1CCCCC1 ZINC000668634098 482494433 /nfs/dbraw/zinc/49/44/33/482494433.db2.gz KZGXFGWXTZNOME-SNAWJCMRSA-N 2 0 268.405 1.065 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000669516247 482540394 /nfs/dbraw/zinc/54/03/94/482540394.db2.gz ZNCNJNVOMKEHAN-OASPWFOLSA-N 2 0 281.787 1.454 10 0 CDAERP CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000672754255 482600077 /nfs/dbraw/zinc/60/00/77/482600077.db2.gz XZLPZWLXDCEJEN-OAHLLOKOSA-N 2 0 296.459 1.598 10 0 CDAERP C[C@@H](CC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)C1CC[NH2+]CC1 ZINC000334267574 482715886 /nfs/dbraw/zinc/71/58/86/482715886.db2.gz NVIDPQLJILQTGD-YOEHRIQHSA-N 2 0 293.455 1.614 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC/C=C/C[NH3+])C1 ZINC000669365997 482747297 /nfs/dbraw/zinc/74/72/97/482747297.db2.gz AXPCXGFELPLCDB-MRINAFOASA-N 2 0 296.459 1.559 10 0 CDAERP O=C([C@@H]1C[NH2+]Cc2ccccc21)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000335452559 482833915 /nfs/dbraw/zinc/83/39/15/482833915.db2.gz MRSIGNCFYYWLNR-AEFFLSMTSA-N 2 0 299.418 1.476 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000684508303 482858698 /nfs/dbraw/zinc/85/86/98/482858698.db2.gz KRYLTOCNCQUVLS-YMAMQOFZSA-N 2 0 279.428 1.604 10 0 CDAERP CCc1nn(C)cc1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000666792121 482920700 /nfs/dbraw/zinc/92/07/00/482920700.db2.gz LIKZDDRLXDPGHQ-LBPRGKRZSA-N 2 0 250.390 1.462 10 0 CDAERP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000136530600 482920815 /nfs/dbraw/zinc/92/08/15/482920815.db2.gz VGESZQPZOPUEPO-CQSZACIVSA-N 2 0 284.425 1.553 10 0 CDAERP C[C@H](CC[NH+](C)C)NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000669420836 483024853 /nfs/dbraw/zinc/02/48/53/483024853.db2.gz NWAPMASWSGJNME-UKRRQHHQSA-N 2 0 282.432 1.112 10 0 CDAERP COc1c(C)cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1C ZINC000678343077 483034183 /nfs/dbraw/zinc/03/41/83/483034183.db2.gz MVIXFTKQYDWZJA-HUUCEWRRSA-N 2 0 260.381 1.963 10 0 CDAERP C[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)C1CC[NH+](C)CC1 ZINC000678594684 483127254 /nfs/dbraw/zinc/12/72/54/483127254.db2.gz JJMBCFKUQKQJQK-OSRDXIQISA-N 2 0 279.428 1.316 10 0 CDAERP C[NH2+][C@H](C)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000390808345 483140110 /nfs/dbraw/zinc/14/01/10/483140110.db2.gz OGTGGDGUEQAMCF-LZWOXQAQSA-N 2 0 289.423 1.621 10 0 CDAERP C[C@@H](CO)C[N@@H+]1CCC[C@@]2(CCC[NH+](C[C@H](C)CO)C2)C1 ZINC000685593198 483179465 /nfs/dbraw/zinc/17/94/65/483179465.db2.gz QQNSWBUIRNXZSW-IXDOHACOSA-N 2 0 298.471 1.421 10 0 CDAERP CC(C)[C@@H]([NH3+])CC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000136423369 483402255 /nfs/dbraw/zinc/40/22/55/483402255.db2.gz MRQFWJXZACFYJS-OLZOCXBDSA-N 2 0 255.406 1.206 10 0 CDAERP C[C@H]1CCC[C@H]([NH+]2CCC(NCc3cn(C)nn3)CC2)C1 ZINC000679994522 483510957 /nfs/dbraw/zinc/51/09/57/483510957.db2.gz VXDZCZCUOVZPMA-BBRMVZONSA-N 2 0 291.443 1.948 10 0 CDAERP COC[C@](C)(CO)[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000680335512 483586587 /nfs/dbraw/zinc/58/65/87/483586587.db2.gz ULZKPHXPKWYOHV-HNNXBMFYSA-N 2 0 290.367 1.063 10 0 CDAERP C[N@@H+]1CCC[C@@]2(CCN(Cc3cnn4c3CCC4)C2)C1 ZINC000668194454 483606989 /nfs/dbraw/zinc/60/69/89/483606989.db2.gz JBPHZXWACYOFLM-MRXNPFEDSA-N 2 0 274.412 1.747 10 0 CDAERP CC(C)=CC[N@@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001272172877 1160662925 /nfs/dbraw/zinc/66/29/25/1160662925.db2.gz QZZVNZIGZUACQY-AWEZNQCLSA-N 2 0 267.417 1.295 10 0 CDAERP CC(C)C[N@H+](C)CCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000052452693 519708930 /nfs/dbraw/zinc/70/89/30/519708930.db2.gz FQBYHNNUPFDVAS-UHFFFAOYSA-N 2 0 267.421 1.754 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)CCC1CCC([NH3+])CC1 ZINC000055139206 519793185 /nfs/dbraw/zinc/79/31/85/519793185.db2.gz LISXMDHGVLXWPW-YMAMQOFZSA-N 2 0 283.460 1.987 10 0 CDAERP CCC[NH2+]CC1(C[N@H+](CC)CCOC)CCOCC1 ZINC000052183283 519909875 /nfs/dbraw/zinc/90/98/75/519909875.db2.gz DCMMQMSNJRSTCB-UHFFFAOYSA-N 2 0 272.433 1.751 10 0 CDAERP CCC[NH2+][C@@H]1CCOC[C@@H]1N1CCC[C@@H]1C[NH+](C)C ZINC000061643768 520025074 /nfs/dbraw/zinc/02/50/74/520025074.db2.gz BXPWDLLYLOBTSH-KFWWJZLASA-N 2 0 269.433 1.170 10 0 CDAERP C[C@@H](CCC[NH2+]C/C=C\Cl)NC(=O)C[NH+]1CCCC1 ZINC001485748878 1161283114 /nfs/dbraw/zinc/28/31/14/1161283114.db2.gz PRBYCGVBHJVEGZ-VGVVRCBHSA-N 2 0 287.835 1.709 10 0 CDAERP Cc1ncc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CCC[N@@H+]2C)o1 ZINC001485854174 1161443558 /nfs/dbraw/zinc/44/35/58/1161443558.db2.gz BMJQHZBSNFPLBA-RISCZKNCSA-N 2 0 294.399 1.014 10 0 CDAERP C[C@H](C[NH2+]CCC(C)(C)C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001715954789 1179939309 /nfs/dbraw/zinc/93/93/09/1179939309.db2.gz MPFJJAJMTRUYGW-KGLIPLIRSA-N 2 0 283.460 1.859 10 0 CDAERP C[NH2+]CC1(C[N@H+](C)C[C@@H]2CCCCO2)CCOCC1 ZINC000052182401 521964761 /nfs/dbraw/zinc/96/47/61/521964761.db2.gz QHKPIEYBXKEVOA-AWEZNQCLSA-N 2 0 270.417 1.504 10 0 CDAERP CCC[NH2+]CCN(CC)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001716232659 1180112746 /nfs/dbraw/zinc/11/27/46/1180112746.db2.gz ORIAKKATQIIODY-UHFFFAOYSA-N 2 0 269.433 1.709 10 0 CDAERP C[NH2+]Cc1cc(CN2CCC[C@@H]2C[NH+](C)C)oc1C ZINC000061654475 522108344 /nfs/dbraw/zinc/10/83/44/522108344.db2.gz RYLMEBXYRAVKCP-CQSZACIVSA-N 2 0 265.401 1.833 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001724244150 1181657146 /nfs/dbraw/zinc/65/71/46/1181657146.db2.gz KDXBQOMHVYJHKA-HIFRSBDPSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccccc1F ZINC001771780884 1161959075 /nfs/dbraw/zinc/95/90/75/1161959075.db2.gz HUWFLGOKUXBBFV-MRXNPFEDSA-N 2 0 293.386 1.544 10 0 CDAERP C(CN1CC[C@H]([NH+]2CCCC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000062980226 518392367 /nfs/dbraw/zinc/39/23/67/518392367.db2.gz QZLMBHBBDHOSCA-GJZGRUSLSA-N 2 0 251.418 1.689 10 0 CDAERP C(C[NH2+][C@H]1CCN(C2CC2)C1)CC1CC[NH2+]CC1 ZINC000050953996 518394626 /nfs/dbraw/zinc/39/46/26/518394626.db2.gz IHOLWSKLFTWNCX-AWEZNQCLSA-N 2 0 251.418 1.593 10 0 CDAERP CC(C)(C)CC[NH2+]CCN1CC[NH+](C2CC2)CC1 ZINC000053446290 518653718 /nfs/dbraw/zinc/65/37/18/518653718.db2.gz JQBYNIRZVIYASM-UHFFFAOYSA-N 2 0 253.434 1.792 10 0 CDAERP CC(C)(C)[NH+]1CCN(CC2(C[NH3+])CCOCC2)CC1 ZINC000052197620 518711875 /nfs/dbraw/zinc/71/18/75/518711875.db2.gz VXMCSHVYHMIVNE-UHFFFAOYSA-N 2 0 269.433 1.158 10 0 CDAERP CC(C)C1CCC([N@H+](C)CC(=O)N2CC[NH2+]CC2)CC1 ZINC000054557499 519562658 /nfs/dbraw/zinc/56/26/58/519562658.db2.gz JBFDBSDUPJNGDH-UHFFFAOYSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)CCOCC[N@@H+]1CCCN(CC[NH3+])CC1 ZINC000049265205 519665243 /nfs/dbraw/zinc/66/52/43/519665243.db2.gz LXKHIRMGMYRSLC-UHFFFAOYSA-N 2 0 257.422 1.016 10 0 CDAERP CC(C)[NH+]1CCN(CCC[C@H]2CCCC[NH2+]2)CC1 ZINC000050952737 519681904 /nfs/dbraw/zinc/68/19/04/519681904.db2.gz MUTMNIHCVKXQCG-OAHLLOKOSA-N 2 0 253.434 1.935 10 0 CDAERP CC(C)C[NH+]1CCN(C[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000055083628 519726591 /nfs/dbraw/zinc/72/65/91/519726591.db2.gz SDWAXEPMTTVDAE-GOSISDBHSA-N 2 0 287.451 1.975 10 0 CDAERP CC(C)C[NH+]1CCN([C@H](C[NH3+])C2CCOCC2)CC1 ZINC000055078021 519727839 /nfs/dbraw/zinc/72/78/39/519727839.db2.gz TYDYBVPNXPLWDA-OAHLLOKOSA-N 2 0 269.433 1.014 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CC[C@@H](CN2CC[NH+](C(C)C)CC2)O1 ZINC000052480139 519745253 /nfs/dbraw/zinc/74/52/53/519745253.db2.gz MSUDYOCNUSBOLU-IRXDYDNUSA-N 2 0 297.487 1.806 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2cnn(C)c2)O1 ZINC000052570438 519746307 /nfs/dbraw/zinc/74/63/07/519746307.db2.gz BICRKVHSPICXSS-CVEARBPZSA-N 2 0 294.443 1.645 10 0 CDAERP CC(C)OC[C@H](O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000070100143 519773695 /nfs/dbraw/zinc/77/36/95/519773695.db2.gz PKZORJHUNFXCKQ-HUUCEWRRSA-N 2 0 270.417 1.236 10 0 CDAERP CC(C)[C@H](CNC(=O)[C@@](C)([NH3+])c1ccccc1)[NH+](C)C ZINC000052882672 519815659 /nfs/dbraw/zinc/81/56/59/519815659.db2.gz GPXPIZZRKVAENU-HOCLYGCPSA-N 2 0 277.412 1.563 10 0 CDAERP CCC[NH+]1CCC(NC(=O)[C@H]2CCC[C@H](C)[NH2+]2)CC1 ZINC000049560224 519846277 /nfs/dbraw/zinc/84/62/77/519846277.db2.gz NSUHFVDYUXEKNX-GXTWGEPZSA-N 2 0 267.417 1.508 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH+](C)C)CCC1 ZINC000353361498 519854428 /nfs/dbraw/zinc/85/44/28/519854428.db2.gz AWANUVZAUFCFDS-ZDUSSCGKSA-N 2 0 267.417 1.461 10 0 CDAERP CCC[NH+]1CCN(C[C@H](C)C[NH2+]CC(C)C)CC1 ZINC000052421814 519858449 /nfs/dbraw/zinc/85/84/49/519858449.db2.gz CKLITMUIRGAHGK-OAHLLOKOSA-N 2 0 255.450 1.896 10 0 CDAERP CCC[NH+]1CCN([C@]2(C[NH3+])CCCSC2)CC1 ZINC000061589892 519860235 /nfs/dbraw/zinc/86/02/35/519860235.db2.gz LXQGHHDBLPOFEV-ZDUSSCGKSA-N 2 0 257.447 1.239 10 0 CDAERP CCC[NH2+]CC1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000068890153 519912298 /nfs/dbraw/zinc/91/22/98/519912298.db2.gz WEJAQILDEQLZFF-NSHDSACASA-N 2 0 268.323 1.621 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@H](CN2CCC([NH+](C)C)CC2)O1 ZINC000052477787 519938757 /nfs/dbraw/zinc/93/87/57/519938757.db2.gz CMLXSXDNCQOCMA-HZPDHXFCSA-N 2 0 283.460 1.560 10 0 CDAERP CCC[NH2+]Cc1ccc(OCC[NH+]2CCCCC2)nn1 ZINC000051549071 519952189 /nfs/dbraw/zinc/95/21/89/519952189.db2.gz BVLRXEDFMKZQBK-UHFFFAOYSA-N 2 0 278.400 1.841 10 0 CDAERP CC[NH2+]C[C@@H]1CC[C@@H](COCC[NH+]2CCCCC2)O1 ZINC000052671022 519954359 /nfs/dbraw/zinc/95/43/59/519954359.db2.gz MNSAHMLRLXTWPX-GJZGRUSLSA-N 2 0 270.417 1.646 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000061266926 519963310 /nfs/dbraw/zinc/96/33/10/519963310.db2.gz RJUQHVZWOYJSTC-QWHCGFSZSA-N 2 0 255.406 1.079 10 0 CDAERP CCC[NH2+][C@@](C)(CO)CCCC[N@@H+]1CC[C@H](N(C)C)C1 ZINC000070337831 520039604 /nfs/dbraw/zinc/03/96/04/520039604.db2.gz FYAYUBHFAHKMJU-JKSUJKDBSA-N 2 0 285.476 1.543 10 0 CDAERP CCC[NH2+][C@@](C)(C[C@@H](C)N1CC[NH+](C(C)C)CC1)C(N)=O ZINC000068625776 520041216 /nfs/dbraw/zinc/04/12/16/520041216.db2.gz VKIRVZPOGZUTCJ-ZBFHGGJFSA-N 2 0 298.475 1.035 10 0 CDAERP CCC[NH2+][C@@](CO)(CN1CCC[C@@H]1C[NH+](C)C)C1CC1 ZINC000070335082 520054519 /nfs/dbraw/zinc/05/45/19/520054519.db2.gz CZPDWTZIICZTGC-HZPDHXFCSA-N 2 0 283.460 1.153 10 0 CDAERP CC[NH2+][C@@H](C)C1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000068875154 520059831 /nfs/dbraw/zinc/05/98/31/520059831.db2.gz LJIGOIGGZXIZIT-ONGXEEELSA-N 2 0 268.323 1.620 10 0 CDAERP CCCCCCOC[C@H](O)C[NH2+][C@H](C)CC[NH+](C)C ZINC000049557221 520101268 /nfs/dbraw/zinc/10/12/68/520101268.db2.gz AFKVENJDDBZQQI-HUUCEWRRSA-N 2 0 274.449 1.874 10 0 CDAERP CC[NH2+][C@](C)(CO)C[C@@H](C)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000070337552 520230709 /nfs/dbraw/zinc/23/07/09/520230709.db2.gz DLAFPROQNVXLKT-IKGGRYGDSA-N 2 0 297.487 1.686 10 0 CDAERP CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc[nH+]c(NN)c1 ZINC000051092235 520635219 /nfs/dbraw/zinc/63/52/19/520635219.db2.gz DXRVTKIVTDMXMX-LBPRGKRZSA-N 2 0 293.415 1.608 10 0 CDAERP CC[NH+](CC)CCNC(=O)CC1CCC([NH3+])CC1 ZINC000055122976 520668803 /nfs/dbraw/zinc/66/88/03/520668803.db2.gz UCQIFLCPBTWXAD-UHFFFAOYSA-N 2 0 255.406 1.352 10 0 CDAERP CC[NH+](CC)CCNC(=O)[C@H]1CCC[C@@H](C[NH3+])C1 ZINC000055145554 520679948 /nfs/dbraw/zinc/67/99/48/520679948.db2.gz IETYQJRPKLEYDJ-OLZOCXBDSA-N 2 0 255.406 1.210 10 0 CDAERP CC[N@H+](CC1CC1)C[C@]1(C[NH2+]C2CC2)CCOC1 ZINC000069239880 520957098 /nfs/dbraw/zinc/95/70/98/520957098.db2.gz NGJGJUTXCDWDOW-OAHLLOKOSA-N 2 0 252.402 1.877 10 0 CDAERP CCC[C@H]([NH2+]CC)[C@@H](CC)N1CCN(CC[NH+](C)C)CC1 ZINC000061643972 521157167 /nfs/dbraw/zinc/15/71/67/521157167.db2.gz RUGOSACTMQEMPL-DLBZAZTESA-N 2 0 298.519 1.722 10 0 CDAERP CC[N@@H+](Cc1ccoc1C[NH2+]C)C[C@H]1CCCO1 ZINC000052510782 521424963 /nfs/dbraw/zinc/42/49/63/521424963.db2.gz DZLLDWABLYITIF-CYBMUJFWSA-N 2 0 252.358 2.000 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000156544692 521547046 /nfs/dbraw/zinc/54/70/46/521547046.db2.gz IANKPUIMOYSQHU-HNNXBMFYSA-N 2 0 283.460 1.811 10 0 CDAERP CC[NH+]1CCC(CNC(=O)[C@H]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000055162830 521550857 /nfs/dbraw/zinc/55/08/57/521550857.db2.gz BUESEWWJPFOLMC-CABCVRRESA-N 2 0 281.444 1.600 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@H](C[NH3+])C2)CC1 ZINC000055147763 521556032 /nfs/dbraw/zinc/55/60/32/521556032.db2.gz HNPMPAJPWQMMCX-KBPBESRZSA-N 2 0 281.444 1.694 10 0 CDAERP CCC(CC)NC(=O)CN1CCC[N@H+](CCCC[NH3+])CC1 ZINC000049285435 521574923 /nfs/dbraw/zinc/57/49/23/521574923.db2.gz QMJNNPMGAVDNSZ-UHFFFAOYSA-N 2 0 298.475 1.038 10 0 CDAERP CCC(CC)[C@H](CNC(=O)[C@@H]1CC[NH2+]C1)[NH+]1CCCC1 ZINC000236690707 521616862 /nfs/dbraw/zinc/61/68/62/521616862.db2.gz PYVKEAIPJFLYST-CABCVRRESA-N 2 0 281.444 1.613 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH3+])c2)C1 ZINC000049192142 521623247 /nfs/dbraw/zinc/62/32/47/521623247.db2.gz KWASJXRDWOEDNA-CQSZACIVSA-N 2 0 261.369 1.359 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@@H]1CCC[C@H](CC[NH3+])C1 ZINC000055162768 521654294 /nfs/dbraw/zinc/65/42/94/521654294.db2.gz ONFFPNIYPZRMIV-HUUCEWRRSA-N 2 0 283.460 1.942 10 0 CDAERP CCC1(C(=O)NC[C@@H](C(C)C)[NH+](C)C)CC[NH2+]CC1 ZINC000062849701 521666700 /nfs/dbraw/zinc/66/67/00/521666700.db2.gz BSFAFAUSVRZHBA-ZDUSSCGKSA-N 2 0 269.433 1.469 10 0 CDAERP CC[NH+]1CCN([C@@H](C[NH3+])c2ccc3ncccc3c2)CC1 ZINC000069502258 521692161 /nfs/dbraw/zinc/69/21/61/521692161.db2.gz KFZGAGPOKFWJOE-KRWDZBQOSA-N 2 0 284.407 1.872 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1CC[NH2+]CC1CCCC1 ZINC000061655203 521868146 /nfs/dbraw/zinc/86/81/46/521868146.db2.gz PBGXVNHYRHRZNB-OAHLLOKOSA-N 2 0 253.434 1.792 10 0 CDAERP C[NH2+]CC[C@H]1CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1 ZINC000070192724 522019507 /nfs/dbraw/zinc/01/95/07/522019507.db2.gz GQGQVQQFVIREIL-OAHLLOKOSA-N 2 0 275.396 1.750 10 0 CDAERP C[NH2+]C[C@@H]1CC[C@@H](C[N@@H+]2CCc3ccccc3C2)O1 ZINC000052419162 522057831 /nfs/dbraw/zinc/05/78/31/522057831.db2.gz YCYHFKDZPFHVHD-HOTGVXAUSA-N 2 0 260.381 1.812 10 0 CDAERP C[NH2+]C[C@@H]1CC[C@H](C[N@@H+]2CCc3ccccc3C2)O1 ZINC000052419160 522062436 /nfs/dbraw/zinc/06/24/36/522062436.db2.gz YCYHFKDZPFHVHD-JKSUJKDBSA-N 2 0 260.381 1.812 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(CC[NH2+]C2CCCC2)CC1 ZINC000055075149 522122726 /nfs/dbraw/zinc/12/27/26/522122726.db2.gz FKVSANYRZQZUBE-CQSZACIVSA-N 2 0 253.434 1.935 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(Cc2ccoc2C[NH2+]C)CC1 ZINC000055073663 522125688 /nfs/dbraw/zinc/12/56/88/522125688.db2.gz CUQJSXOVIFKJJJ-CYBMUJFWSA-N 2 0 265.401 1.915 10 0 CDAERP CC[C@@H](C)NC(=O)CC[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000054629533 522142088 /nfs/dbraw/zinc/14/20/88/522142088.db2.gz ZJMHFOIEHAJQSZ-ODWCKFRGSA-N 2 0 253.390 1.245 10 0 CDAERP CC[C@@H]([NH3+])[C@@H](N1CCn2ccnc2C1)C(F)(F)F ZINC000062246705 522646260 /nfs/dbraw/zinc/64/62/60/522646260.db2.gz XDXKSDWYWKMMFM-PSASIEDQSA-N 2 0 262.279 1.367 10 0 CDAERP CN(CC[NH+]1CCCC1)CC(=O)Nc1ccccc1C[NH3+] ZINC000063051106 522827914 /nfs/dbraw/zinc/82/79/14/522827914.db2.gz DMWNPNBVBWPADH-UHFFFAOYSA-N 2 0 290.411 1.111 10 0 CDAERP CC[C@]1(C(=O)NC[C@H](CC(C)C)[NH+](C)C)CCC[NH2+]C1 ZINC000062859278 523538891 /nfs/dbraw/zinc/53/88/91/523538891.db2.gz NHMKJTVYLKYJHE-HOCLYGCPSA-N 2 0 283.460 1.859 10 0 CDAERP C[NH+]1CCC(NC(=O)CC2CCC([NH3+])CC2)CC1 ZINC000055126705 523771556 /nfs/dbraw/zinc/77/15/56/523771556.db2.gz SZFWKUNLKJTYPJ-UHFFFAOYSA-N 2 0 253.390 1.104 10 0 CDAERP C[N@@H+]1CCCN([C@@H](C[NH3+])c2cc(F)c(F)c(F)c2)CC1 ZINC000062709645 523810282 /nfs/dbraw/zinc/81/02/82/523810282.db2.gz QAOJEJINFUMYKD-ZDUSSCGKSA-N 2 0 287.329 1.741 10 0 CDAERP C[N@@H+]1CCC[C@@H](CNC(=O)C2CCC(C[NH3+])CC2)C1 ZINC000055162492 523812145 /nfs/dbraw/zinc/81/21/45/523812145.db2.gz AZRFFYFTMDMQEL-MOKVOYLWSA-N 2 0 267.417 1.210 10 0 CDAERP CC[C@H](C)[NH+]1CCN(C(=O)C(CC)(CC)C[NH3+])CC1 ZINC000055071329 523947723 /nfs/dbraw/zinc/94/77/23/523947723.db2.gz JHSXEXRUIMBOAK-ZDUSSCGKSA-N 2 0 269.433 1.694 10 0 CDAERP C[C@H]1CCC[C@@H](C(=O)N2CC[NH+](C3CCCC3)CC2)[C@@H]1[NH3+] ZINC000055132628 524127109 /nfs/dbraw/zinc/12/71/09/524127109.db2.gz IYHLCHTVZSGOEM-NUEKZKHPSA-N 2 0 293.455 1.837 10 0 CDAERP C[C@H](CNC(=O)CC1CCC([NH3+])CC1)[NH+]1CCCCC1 ZINC000055135351 524378022 /nfs/dbraw/zinc/37/80/22/524378022.db2.gz ZRUZNHWJBKUEOO-WLYUNCDWSA-N 2 0 281.444 1.885 10 0 CDAERP C[C@@H](C[NH+]1CCCC1)NC(=O)c1cccc(C[NH3+])c1 ZINC000049149404 524592705 /nfs/dbraw/zinc/59/27/05/524592705.db2.gz WBZPTLCNIXQEFB-LBPRGKRZSA-N 2 0 261.369 1.359 10 0 CDAERP C[C@@H]1CN(CCC[NH+](C)C)[C@H](c2ccccc2)C[NH2+]1 ZINC000062658796 524944648 /nfs/dbraw/zinc/94/46/48/524944648.db2.gz FONHWRJCCXAYTN-ZBFHGGJFSA-N 2 0 261.413 1.973 10 0 CDAERP CSC1(C[NH2+]Cc2conc2C)CC[NH+](C)CC1 ZINC000339402214 525334068 /nfs/dbraw/zinc/33/40/68/525334068.db2.gz GBFNCXVODRJWMY-UHFFFAOYSA-N 2 0 269.414 1.900 10 0 CDAERP Cc1cccnc1N1CC[NH+](CCCCC[NH3+])CC1 ZINC000051040742 525533482 /nfs/dbraw/zinc/53/34/82/525533482.db2.gz IFVFDNNPXMDVDW-UHFFFAOYSA-N 2 0 262.401 1.641 10 0 CDAERP C[C@@]([NH3+])(CCCC[N@@H+]1CCCC(C)(C)C1)C(N)=O ZINC000069516392 525749736 /nfs/dbraw/zinc/74/97/36/525749736.db2.gz DYSFFABQUWUUKF-CQSZACIVSA-N 2 0 255.406 1.481 10 0 CDAERP NC(=[NH2+])c1cc(CN2CC[NH+](C3CCCC3)CC2)ccn1 ZINC000068761844 526819096 /nfs/dbraw/zinc/81/90/96/526819096.db2.gz UWPFAUNVRZHHIC-UHFFFAOYSA-N 2 0 287.411 1.426 10 0 CDAERP O=C(C[NH2+]C1CCCC1)NCC[NH+]1CCCCC1 ZINC000049575475 526876970 /nfs/dbraw/zinc/87/69/70/526876970.db2.gz QTHDIFFDXOOPPU-UHFFFAOYSA-N 2 0 253.390 1.121 10 0 CDAERP Nc1c[nH+]c2ccc(Br)cc2c1NCC[NH3+] ZINC000052815349 527189408 /nfs/dbraw/zinc/18/94/08/527189408.db2.gz QHMJSCYELCCCDP-UHFFFAOYSA-N 2 0 281.157 1.950 10 0 CDAERP NC(=O)C1CC[NH+]([C@H](CC[NH3+])c2ccccc2)CC1 ZINC000055015192 527193316 /nfs/dbraw/zinc/19/33/16/527193316.db2.gz RPAKGXXICLOAMZ-CQSZACIVSA-N 2 0 261.369 1.274 10 0 CDAERP [NH3+]C[C@H](c1cc(F)c(F)c(F)c1)N1CC[NH+](C2CC2)CC1 ZINC000062710726 527228490 /nfs/dbraw/zinc/22/84/90/527228490.db2.gz XBZIHYWIMQXADT-CQSZACIVSA-N 2 0 299.340 1.884 10 0 CDAERP [NH3+][C@H]1CCC[C@@H](C(=O)N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000055088895 527402145 /nfs/dbraw/zinc/40/21/45/527402145.db2.gz CWVAHKAZZKHNCD-CABCVRRESA-N 2 0 293.455 1.981 10 0 CDAERP OC1(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)CC[NH2+]CC1 ZINC000051016007 527506139 /nfs/dbraw/zinc/50/61/39/527506139.db2.gz ACMITIVCIIFAPM-ZIAGYGMSSA-N 2 0 252.402 1.756 10 0 CDAERP OC1(C[N@@H+]2CCC[C@@H]2C2CCCC2)CC[NH2+]CC1 ZINC000051016374 527507214 /nfs/dbraw/zinc/50/72/14/527507214.db2.gz MDBUMXIMMREJEM-CQSZACIVSA-N 2 0 252.402 1.756 10 0 CDAERP OC[C@H]1CCCC[N@@H+]1CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052183596 527615545 /nfs/dbraw/zinc/61/55/45/527615545.db2.gz BLJUADIASGFRKY-OAHLLOKOSA-N 2 0 282.428 1.382 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)[C@@H](C)[NH3+])C1 ZINC000418705951 535257389 /nfs/dbraw/zinc/25/73/89/535257389.db2.gz SCBQHECMCZHMRJ-AGIUHOORSA-N 2 0 270.421 1.095 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H]1CCC[NH+](CC)C1 ZINC000176257605 535587059 /nfs/dbraw/zinc/58/70/59/535587059.db2.gz UQOBLKUJCDVEDZ-CABCVRRESA-N 2 0 296.459 1.596 10 0 CDAERP CC[C@@H](CC[NH3+])N1CCN(c2cc[nH+]cc2C)CC1 ZINC000070488976 535738788 /nfs/dbraw/zinc/73/87/88/535738788.db2.gz BVVOJCQVXWLMAC-AWEZNQCLSA-N 2 0 262.401 1.639 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CN1CCN(CC[NH2+]C(C)(C)C)CC1 ZINC000414694726 536358312 /nfs/dbraw/zinc/35/83/12/536358312.db2.gz NOSLZVNWVWJVKJ-INIZCTEOSA-N 2 0 296.503 1.476 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1N(C)CCCC1(C)C ZINC000423090902 536596024 /nfs/dbraw/zinc/59/60/24/536596024.db2.gz YUAVWHAHOIHXHX-ZIAGYGMSSA-N 2 0 271.449 1.450 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(OC)c(OC)c1 ZINC000234730814 536596617 /nfs/dbraw/zinc/59/66/17/536596617.db2.gz RHURKCITGJMIRU-CYBMUJFWSA-N 2 0 282.384 1.547 10 0 CDAERP C[C@H](CC[NH3+])CCCNc1ccnn1C1C[NH2+]C1 ZINC000725258527 538452909 /nfs/dbraw/zinc/45/29/09/538452909.db2.gz RIGKIHTWGVIEAW-NSHDSACASA-N 2 0 251.378 1.204 10 0 CDAERP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3ccoc3)C2)CC1 ZINC000732822857 575097415 /nfs/dbraw/zinc/09/74/15/575097415.db2.gz SHWUSBVCHBQWDD-CQSZACIVSA-N 2 0 263.385 1.538 10 0 CDAERP CC[C@H](C(=O)N1CCCCC[C@H]([NH2+]CCOC)C1)[NH+](C)C ZINC001689265220 1175133278 /nfs/dbraw/zinc/13/32/78/1175133278.db2.gz PWLDKQBTFZIRHJ-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP CC[N@@H+](C/C=C/Cl)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001689969048 1175326512 /nfs/dbraw/zinc/32/65/12/1175326512.db2.gz FCQZATNEVSPRCW-WXJAXGNASA-N 2 0 287.835 1.519 10 0 CDAERP CCCC[NH2+][C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001690168709 1175392400 /nfs/dbraw/zinc/39/24/00/1175392400.db2.gz KZJMNPRASVBIQL-DZGCQCFKSA-N 2 0 281.444 1.613 10 0 CDAERP C(C[NH2+][C@@H]1CC[NH2+]C12CCC2)COC[C@H]1CCOC1 ZINC000925524263 617441768 /nfs/dbraw/zinc/44/17/68/617441768.db2.gz ZSRYIRHHMSVTLR-ZIAGYGMSSA-N 2 0 268.401 1.304 10 0 CDAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccns1 ZINC000926204429 617519209 /nfs/dbraw/zinc/51/92/09/617519209.db2.gz VJKQPIPWSWGPKW-CHWSQXEVSA-N 2 0 282.457 1.820 10 0 CDAERP Cn1cc(CCC[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)cn1 ZINC000925578696 617526438 /nfs/dbraw/zinc/52/64/38/617526438.db2.gz YBADGORBOOVXII-KKUMJFAQSA-N 2 0 276.428 1.719 10 0 CDAERP COCC[C@](C)(O)C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925611356 617555405 /nfs/dbraw/zinc/55/54/05/617555405.db2.gz LOJUNSXGBRRINT-OBJOEFQTSA-N 2 0 258.406 1.270 10 0 CDAERP COCC[C@](C)(O)C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925614049 617559371 /nfs/dbraw/zinc/55/93/71/617559371.db2.gz WRSVRHCMLHQXAM-JYJNAYRXSA-N 2 0 284.444 1.532 10 0 CDAERP COCC1(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000925706871 617793504 /nfs/dbraw/zinc/79/35/04/617793504.db2.gz ONTYXIFEFIZBBT-QSLWVIQJSA-N 2 0 250.386 1.389 10 0 CDAERP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H]1C[NH2+]CCC1(F)F ZINC000925777400 617675092 /nfs/dbraw/zinc/67/50/92/617675092.db2.gz OSPUQHAVWLVZGU-NWANDNLSSA-N 2 0 297.393 1.779 10 0 CDAERP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)C1CCOCC1 ZINC000925783414 617701489 /nfs/dbraw/zinc/70/14/89/617701489.db2.gz NWMJCGLYPLZQFH-PWSUYJOCSA-N 2 0 262.344 1.636 10 0 CDAERP C[C@@H](N[C@@H]1C[NH2+]CC2(CCOCC2)C1)[C@H]1CCCC[NH2+]1 ZINC000925792519 617718612 /nfs/dbraw/zinc/71/86/12/617718612.db2.gz AFYMDYJPJNVVJW-QLFBSQMISA-N 2 0 281.444 1.265 10 0 CDAERP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925794951 617722504 /nfs/dbraw/zinc/72/25/04/617722504.db2.gz MUADPFBHMQRLHT-SRABZTEZSA-N 3 0 275.440 1.780 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CC2(C)CC[NH2+]CC2)C1 ZINC000925700570 617743863 /nfs/dbraw/zinc/74/38/63/617743863.db2.gz UMKBIRNZAGJEEE-STQMWFEESA-N 3 0 253.434 1.872 10 0 CDAERP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc[nH]n3)C2)[C@H]1C(C)C ZINC000888098039 617759371 /nfs/dbraw/zinc/75/93/71/617759371.db2.gz YFSFHKMEWRCXEX-FPCVCCKLSA-N 2 0 292.427 1.369 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@](C)(O)c1cccc(F)c1 ZINC000925820607 617786914 /nfs/dbraw/zinc/78/69/14/617786914.db2.gz GGNQQIZPYJFXGF-CABCVRRESA-N 2 0 284.375 1.377 10 0 CDAERP CC[C@@H]1C[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CCO1 ZINC000925707912 617796156 /nfs/dbraw/zinc/79/61/56/617796156.db2.gz QBIQFTCOZVNDSF-CLYJXRMCSA-N 2 0 250.386 1.530 10 0 CDAERP C[C@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000925833350 617858386 /nfs/dbraw/zinc/85/83/86/617858386.db2.gz HIEXRLSWPBQICP-AXFHLTTASA-N 2 0 267.339 1.599 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CC2(C(N)=O)CCCC2)C1 ZINC000925506146 618179273 /nfs/dbraw/zinc/17/92/73/618179273.db2.gz XUGRSDKRQQCZFG-NWDGAFQWSA-N 2 0 267.417 1.528 10 0 CDAERP CC[NH+]1CCC(C[NH2+][C@H]2CCOC23CCOCC3)CC1 ZINC000924955764 618396590 /nfs/dbraw/zinc/39/65/90/618396590.db2.gz QJHHTTBUZSTBRT-HNNXBMFYSA-N 2 0 282.428 1.646 10 0 CDAERP COc1ccccc1[C@H](O)C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000817891593 618485682 /nfs/dbraw/zinc/48/56/82/618485682.db2.gz FFSKXSUZTPYCLR-BPLDGKMQSA-N 2 0 278.396 1.706 10 0 CDAERP Cc1ccnc(N)c1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000894769721 619047038 /nfs/dbraw/zinc/04/70/38/619047038.db2.gz HGZSVAKWFPLYTR-UHFFFAOYSA-N 2 0 291.443 1.042 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CC[NH+]1C(C)(C)C ZINC000895740258 619818982 /nfs/dbraw/zinc/81/89/82/619818982.db2.gz OYORUVTXFOJDTN-KGLIPLIRSA-N 2 0 281.444 1.850 10 0 CDAERP CON(C)C(=O)CC[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000788019251 620421636 /nfs/dbraw/zinc/42/16/36/620421636.db2.gz JUPZFFHDAYQOEG-ZDUSSCGKSA-N 2 0 271.405 1.203 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCOC[C@H]1C(C)C ZINC000925240357 620609126 /nfs/dbraw/zinc/60/91/26/620609126.db2.gz JBPDKSPCPQAZCL-OWCLPIDISA-N 2 0 286.460 1.994 10 0 CDAERP C[N@H+](CCCCNC(=[NH2+])NCCC1CC1)C1CC1 ZINC000864465971 620931724 /nfs/dbraw/zinc/93/17/24/620931724.db2.gz FDWBMBXCCLNOEU-UHFFFAOYSA-N 2 0 252.406 1.775 10 0 CDAERP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccns1 ZINC000924628086 621597195 /nfs/dbraw/zinc/59/71/95/621597195.db2.gz HHMQFTXVFIOMLP-GFCCVEGCSA-N 2 0 282.457 1.820 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+][C@@H](C)C(C)(C)CO)CC1 ZINC000924657171 621637469 /nfs/dbraw/zinc/63/74/69/621637469.db2.gz GIUHUUPTGRILLR-AWEZNQCLSA-N 2 0 271.449 1.011 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)N[C@H]1CCCN(CCF)C1 ZINC000898503627 621779865 /nfs/dbraw/zinc/77/98/65/621779865.db2.gz LOPPEHUJRHOACT-STQMWFEESA-N 2 0 285.407 1.409 10 0 CDAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCC[C@H]3C[NH3+])CC[C@@H]21 ZINC000250664095 622089688 /nfs/dbraw/zinc/08/96/88/622089688.db2.gz ZIJZEMTYKNWQPJ-YJNKXOJESA-N 2 0 279.428 1.304 10 0 CDAERP C[C@@H](NC(=[NH2+])NCC[N@@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000899266069 622130583 /nfs/dbraw/zinc/13/05/83/622130583.db2.gz PFVAQTCIEJSHFR-VXGBXAGGSA-N 2 0 252.406 1.631 10 0 CDAERP CC(C)C[C@H](CNC(=[NH2+])N[C@@H](C)C1CC1)[NH+](C)C ZINC000899266704 622131498 /nfs/dbraw/zinc/13/14/98/622131498.db2.gz VEBBPDRYLAEHNT-WCQYABFASA-N 2 0 254.422 1.875 10 0 CDAERP C[C@@H](NC(=[NH2+])NCC1([NH+](C)C)CCCC1)C1CC1 ZINC000899263697 622135850 /nfs/dbraw/zinc/13/58/50/622135850.db2.gz JYNJINMCUPTJNW-LLVKDONJSA-N 2 0 252.406 1.773 10 0 CDAERP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C12CC[NH+](CC1)C2 ZINC000900354344 622902041 /nfs/dbraw/zinc/90/20/41/622902041.db2.gz YRZXBHFAPJWUGA-QLFBSQMISA-N 2 0 293.455 1.565 10 0 CDAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CCF ZINC000900683728 623370975 /nfs/dbraw/zinc/37/09/75/623370975.db2.gz PXDMDVUFBCTTPC-UHFFFAOYSA-N 2 0 261.385 1.078 10 0 CDAERP c1cn(CCC[N@@H+]2CC[C@@H](Nc3ncccn3)C2)cn1 ZINC000903021356 625796070 /nfs/dbraw/zinc/79/60/70/625796070.db2.gz SPRKSIHJUTUQFK-CYBMUJFWSA-N 2 0 272.356 1.250 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)C1 ZINC000903431585 625989885 /nfs/dbraw/zinc/98/98/85/625989885.db2.gz QNNTYRIQADOXDE-SOUVJXGZSA-N 2 0 279.428 1.352 10 0 CDAERP CCN(CC)C(=O)C1CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903432487 625990363 /nfs/dbraw/zinc/99/03/63/625990363.db2.gz CHOQYOKEENBPSQ-HIFRSBDPSA-N 2 0 281.444 1.422 10 0 CDAERP NC(=O)CC[C@@H]1CCC[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000903433033 625990771 /nfs/dbraw/zinc/99/07/71/625990771.db2.gz RQCHXEBVDDBUJS-RWMBFGLXSA-N 2 0 253.390 1.091 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)C1 ZINC000903438554 625992299 /nfs/dbraw/zinc/99/22/99/625992299.db2.gz YBOHVGUIGKYPAS-SOUVJXGZSA-N 2 0 279.428 1.448 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000903458631 625994638 /nfs/dbraw/zinc/99/46/38/625994638.db2.gz FWJAFQWOLYKESF-VNQPRFMTSA-N 2 0 259.397 1.488 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN(c3cccs3)CC2)C1 ZINC000903444036 625998012 /nfs/dbraw/zinc/99/80/12/625998012.db2.gz NVAYDJGSLCYVHA-QWHCGFSZSA-N 2 0 265.426 1.998 10 0 CDAERP C([NH2+][C@H]1CC[NH2+]C12CCCC2)[C@H]1C[C@@]12CCOC2 ZINC000903481954 626006411 /nfs/dbraw/zinc/00/64/11/626006411.db2.gz RVOCUZXNQQMHFM-HZSPNIEDSA-N 2 0 250.386 1.677 10 0 CDAERP [NH3+]CCCN(C[C@@H]1CC[C@H]([NH3+])C1)CC(F)(F)F ZINC000903482560 626006891 /nfs/dbraw/zinc/00/68/91/626006891.db2.gz KTNDJYAZVVFUHD-ZJUUUORDSA-N 2 0 253.312 1.327 10 0 CDAERP C[C@@H]1C[N@H+](Cc2nc3ccccc3c(=O)[nH]2)C[C@H]1CC[NH3+] ZINC000903494740 626011439 /nfs/dbraw/zinc/01/14/39/626011439.db2.gz MQTHOHJSFUBFOQ-VXGBXAGGSA-N 2 0 286.379 1.752 10 0 CDAERP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000903740052 626078447 /nfs/dbraw/zinc/07/84/47/626078447.db2.gz CCQAPOSBWSAGLC-NCOADZHNSA-N 3 0 293.455 1.219 10 0 CDAERP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000903874062 626128037 /nfs/dbraw/zinc/12/80/37/626128037.db2.gz RJVUXZOVUKELAZ-QPBSCJPLSA-N 3 0 277.456 1.981 10 0 CDAERP CCC[N@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000903879733 626130691 /nfs/dbraw/zinc/13/06/91/626130691.db2.gz IEPZGVSEDRCSMT-CYBMUJFWSA-N 2 0 263.389 1.577 10 0 CDAERP CC(C)C(C)(C)[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903898433 626137619 /nfs/dbraw/zinc/13/76/19/626137619.db2.gz LWDBEKWIVNUKCE-GFCCVEGCSA-N 2 0 265.405 1.727 10 0 CDAERP O=C1C[C@H]([C@H]2CCCC[N@@H+]2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CN1 ZINC000903899217 626138226 /nfs/dbraw/zinc/13/82/26/626138226.db2.gz RAMHWJMJVNBMCF-XRMFNRFGSA-N 2 0 291.439 1.508 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[NH2+]C2(CO)CCCCC2)cnn1C ZINC000903905664 626140646 /nfs/dbraw/zinc/14/06/46/626140646.db2.gz LHQULWRHYBBABZ-CQSZACIVSA-N 2 0 294.443 1.131 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)cnn1C ZINC000903935981 626153838 /nfs/dbraw/zinc/15/38/38/626153838.db2.gz WZIYFINLDUNSHW-MUYACECFSA-N 2 0 280.416 1.001 10 0 CDAERP CC(C)C[C@@H]([NH3+])CN1CCC([NH2+]C2CCOCC2)CC1 ZINC000903948211 626163976 /nfs/dbraw/zinc/16/39/76/626163976.db2.gz NNNLFHOKUJLQEI-CQSZACIVSA-N 2 0 283.460 1.593 10 0 CDAERP Nc1cc[nH+]c(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000903953838 626165975 /nfs/dbraw/zinc/16/59/75/626165975.db2.gz KUDSQQIZTAUBEI-SOUVJXGZSA-N 2 0 260.385 1.674 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)CC[NH2+]1 ZINC000903955046 626166329 /nfs/dbraw/zinc/16/63/29/626166329.db2.gz ZFENNUXIUNYDCZ-TUVASFSCSA-N 2 0 252.402 1.875 10 0 CDAERP CC(C)[NH+]1CCC(NC[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000903956355 626167186 /nfs/dbraw/zinc/16/71/86/626167186.db2.gz JXOMZRVYUFUTQV-LBPRGKRZSA-N 2 0 275.387 1.694 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000903978963 626170477 /nfs/dbraw/zinc/17/04/77/626170477.db2.gz PTWLWPGFKBIWAB-RKDXNWHRSA-N 2 0 276.306 1.764 10 0 CDAERP COC(=O)C[C@@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1C ZINC000903987301 626174960 /nfs/dbraw/zinc/17/49/60/626174960.db2.gz ZHWRUCQNPUNPGF-ZWBVZUSMSA-N 2 0 280.412 1.648 10 0 CDAERP C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000908194363 628063907 /nfs/dbraw/zinc/06/39/07/628063907.db2.gz ACOINDHRARTSAU-RWMBFGLXSA-N 2 0 253.390 1.070 10 0 CDAERP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)C[C@H]21 ZINC000909144936 628543380 /nfs/dbraw/zinc/54/33/80/628543380.db2.gz BCUFBVKNSYCJND-VQJWOFKYSA-N 2 0 277.412 1.022 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCc1nnnn1-c1ccccc1 ZINC000924841199 629350775 /nfs/dbraw/zinc/35/07/75/629350775.db2.gz DUYVZVAILDORJL-OCZCAGDBSA-N 2 0 298.394 1.092 10 0 CDAERP C[C@@H](C(=O)N1[C@@H](C)CCC[C@H]1CC[NH+](C)C)[NH+](C)C ZINC000912648040 630125418 /nfs/dbraw/zinc/12/54/18/630125418.db2.gz CSLYYJVKRJCAJW-IHRRRGAJSA-N 2 0 269.433 1.658 10 0 CDAERP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912914067 630282348 /nfs/dbraw/zinc/28/23/48/630282348.db2.gz UMEMKHPYFVUNDA-JKSUJKDBSA-N 2 0 291.439 1.700 10 0 CDAERP C[NH+]1C[C@@]2(C)CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@@]2(C)C1 ZINC000913273889 630426672 /nfs/dbraw/zinc/42/66/72/630426672.db2.gz ICVXJIBEYQLPCC-BMFZPTHFSA-N 2 0 279.428 1.128 10 0 CDAERP CC[NH+](CC)C[C@@H]1CCN(C[C@H]2CCC3(COC3)O2)C1 ZINC000929749066 630730380 /nfs/dbraw/zinc/73/03/80/630730380.db2.gz NPSQRLCFZZPSNT-LSDHHAIUSA-N 2 0 282.428 1.598 10 0 CDAERP C[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000915073412 631641296 /nfs/dbraw/zinc/64/12/96/631641296.db2.gz RIPYCJBXBRUSQD-RBSFLKMASA-N 2 0 296.459 1.499 10 0 CDAERP CC[N@H+](CCNC(=O)N[C@H]1CC[NH+](C)[C@@H]1C)C(C)C ZINC000916165186 631931021 /nfs/dbraw/zinc/93/10/21/631931021.db2.gz PPBQJBYMKVBMNG-OLZOCXBDSA-N 2 0 270.421 1.109 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCOC(F)(F)C(F)(F)F ZINC000720308796 711785946 /nfs/dbraw/zinc/78/59/46/711785946.db2.gz MMPVTTQTZLGCRL-YUMQZZPRSA-N 2 0 276.249 1.875 10 0 CDAERP COCCC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001266909996 1158981195 /nfs/dbraw/zinc/98/11/95/1158981195.db2.gz MZSKTFJMFKVTRQ-NRXISQOPSA-N 2 0 297.443 1.134 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001690355844 1158483328 /nfs/dbraw/zinc/48/33/28/1158483328.db2.gz NTIMDNULIYTOCX-QLFBSQMISA-N 2 0 281.444 1.776 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]CCCO)CCN1C(=O)CCCC[NH+](C)C ZINC001699738753 1158530029 /nfs/dbraw/zinc/53/00/29/1158530029.db2.gz MHBSISNSMZNBAW-HUUCEWRRSA-N 2 0 299.459 1.070 10 0 CDAERP CC[N@@H+]1CC[C@@H]1C(=O)N(C)CC[NH+](C)C1CCCCC1 ZINC001362027710 1160016990 /nfs/dbraw/zinc/01/69/90/1160016990.db2.gz CCNDFYBSIZRTDX-OAHLLOKOSA-N 2 0 281.444 1.804 10 0 CDAERP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1[NH2+]CCCF ZINC001673911194 1161406258 /nfs/dbraw/zinc/40/62/58/1161406258.db2.gz KVDKVCJDLWBYQE-CABCVRRESA-N 2 0 299.434 1.514 10 0 CDAERP C[NH+](C)CC1CN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001627883609 1166021931 /nfs/dbraw/zinc/02/19/31/1166021931.db2.gz XUTSCEGSXZXWEU-UONOGXRCSA-N 2 0 267.417 1.127 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001275038106 1166655659 /nfs/dbraw/zinc/65/56/59/1166655659.db2.gz FGCDKSSHOBQWBE-ZIAGYGMSSA-N 2 0 287.423 1.705 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC[NH2+]C(C)(C)C)C1 ZINC001638371922 1166842089 /nfs/dbraw/zinc/84/20/89/1166842089.db2.gz LJLXSJVMTVEDTJ-STQMWFEESA-N 2 0 269.433 1.611 10 0 CDAERP C[N@H+](CC(=O)N1CC[C@H](C[NH2+]C/C=C/Cl)C1)C1CCC1 ZINC001567128890 1168586950 /nfs/dbraw/zinc/58/69/50/1168586950.db2.gz XCVWOOCHZHNCJD-LPZVBRGNSA-N 2 0 299.846 1.661 10 0 CDAERP CCCC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001567151127 1168597470 /nfs/dbraw/zinc/59/74/70/1168597470.db2.gz MQLPVMHXRLBJFC-CQSZACIVSA-N 2 0 269.433 1.566 10 0 CDAERP CC[NH+](CC)CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001567347050 1168693397 /nfs/dbraw/zinc/69/33/97/1168693397.db2.gz NQCOHJYJZUECQQ-UONOGXRCSA-N 2 0 267.417 1.461 10 0 CDAERP CN(CC[NH2+]CCC1CC1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001567496581 1168814301 /nfs/dbraw/zinc/81/43/01/1168814301.db2.gz QJZSIAJLPUEWAX-HNNXBMFYSA-N 2 0 279.428 1.176 10 0 CDAERP CCOCC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001568369141 1169264514 /nfs/dbraw/zinc/26/45/14/1169264514.db2.gz IOMNPMOVWGVZHV-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP O=C(C1CC[NH+](C2CC2)CC1)N1CCC2(CC[NH2+]2)CC1 ZINC001649851523 1169432191 /nfs/dbraw/zinc/43/21/91/1169432191.db2.gz ORGIBYBPCFBUKR-UHFFFAOYSA-N 2 0 277.412 1.215 10 0 CDAERP CC(C)[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001671246735 1169433911 /nfs/dbraw/zinc/43/39/11/1169433911.db2.gz WWAIJQIARFUTNT-CHWSQXEVSA-N 2 0 255.406 1.316 10 0 CDAERP CC(C)=CC[NH2+]CC[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001568698214 1169435566 /nfs/dbraw/zinc/43/55/66/1169435566.db2.gz AUPNHPYYKQMCKU-HUUCEWRRSA-N 2 0 281.444 1.779 10 0 CDAERP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC001649857046 1169438526 /nfs/dbraw/zinc/43/85/26/1169438526.db2.gz CQIDSWIMWGTMBK-ZNMIVQPWSA-N 2 0 281.444 1.694 10 0 CDAERP Cc1cccnc1C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC001649892036 1169474741 /nfs/dbraw/zinc/47/47/41/1169474741.db2.gz KEFNKIBRJPFFCJ-HNNXBMFYSA-N 2 0 278.444 1.752 10 0 CDAERP CCC[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001568800977 1169481794 /nfs/dbraw/zinc/48/17/94/1169481794.db2.gz YBPANZOZAMIUFU-CQSZACIVSA-N 2 0 269.433 1.709 10 0 CDAERP CC[C@H](F)C[NH2+]C/C=C/CNC(=O)C[NH+]1CCCC1 ZINC001568963964 1169566333 /nfs/dbraw/zinc/56/63/33/1169566333.db2.gz LQQHNJZLESOGPQ-OOPCZODUSA-N 2 0 271.380 1.092 10 0 CDAERP C[C@@H](C[N@H+](C)CC1CC1)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001569146257 1169688678 /nfs/dbraw/zinc/68/86/78/1169688678.db2.gz AYLXKNXRCHQXCS-GXTWGEPZSA-N 2 0 267.417 1.175 10 0 CDAERP CCCCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001570126670 1170088120 /nfs/dbraw/zinc/08/81/20/1170088120.db2.gz YYQUVNDKYODFTH-CQSZACIVSA-N 2 0 281.444 1.757 10 0 CDAERP CC(C)=CC[NH2+]CCC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001571321943 1170365147 /nfs/dbraw/zinc/36/51/47/1170365147.db2.gz FEEQZRJHYDNFOW-OAHLLOKOSA-N 2 0 293.455 1.923 10 0 CDAERP CCN1CCCC[C@@H]1C(=O)OC[C@@]1(C)C[C@H](OC)C[N@@H+]1C ZINC001650482720 1171115205 /nfs/dbraw/zinc/11/52/05/1171115205.db2.gz IFAYFIOPBBTINL-SQWLQELKSA-N 2 0 298.427 1.513 10 0 CDAERP CC/C=C/CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](C)C ZINC001662067015 1172481889 /nfs/dbraw/zinc/48/18/89/1172481889.db2.gz VOYWYBDAFHQJMV-PPNPPKNSSA-N 2 0 293.455 1.729 10 0 CDAERP CC[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC1CC1 ZINC001665872396 1173077410 /nfs/dbraw/zinc/07/74/10/1173077410.db2.gz QKQZYKCDSRYCHC-KGLIPLIRSA-N 2 0 267.417 1.223 10 0 CDAERP CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1nccs1)[NH+](C)C ZINC001668106901 1173369024 /nfs/dbraw/zinc/36/90/24/1173369024.db2.gz QIACJAHEYSIECB-VXGBXAGGSA-N 2 0 298.456 1.468 10 0 CDAERP CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc1cncs1)[NH+](C)C ZINC001669047186 1173496863 /nfs/dbraw/zinc/49/68/63/1173496863.db2.gz WPLKMXRSZFZIMK-SZZPACECSA-N 2 0 296.440 1.245 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+]C/C=C\Cl ZINC001669708268 1173588461 /nfs/dbraw/zinc/58/84/61/1173588461.db2.gz ZBWMLOWEXBFSQR-XOIDGJRKSA-N 2 0 261.797 1.175 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001669697813 1173586656 /nfs/dbraw/zinc/58/66/56/1173586656.db2.gz CIMYRGMIBGOSTJ-KBPBESRZSA-N 2 0 287.423 1.561 10 0 CDAERP CC[C@H](C(=O)N(C)CCC[NH2+]Cc1ncc(C)o1)[NH+](C)C ZINC001670316557 1173671779 /nfs/dbraw/zinc/67/17/79/1173671779.db2.gz WFMCZYWFPCGSIA-CYBMUJFWSA-N 2 0 296.415 1.261 10 0 CDAERP COCCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001674986765 1174055006 /nfs/dbraw/zinc/05/50/06/1174055006.db2.gz XQKVXPUJDWWSIG-KKUMJFAQSA-N 2 0 299.459 1.190 10 0 CDAERP CCC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001675793011 1174149910 /nfs/dbraw/zinc/14/99/10/1174149910.db2.gz VQCUBOMPNWVMND-HDJSIYSDSA-N 2 0 283.460 1.859 10 0 CDAERP CC[N@H+](C)[C@@H]1CCN(C(=O)NCCCC[NH+](C)C2CC2)C1 ZINC001683165361 1174630771 /nfs/dbraw/zinc/63/07/71/1174630771.db2.gz NESXQTBRGADEQV-OAHLLOKOSA-N 2 0 296.459 1.596 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]CCC1CC1 ZINC001690650177 1175536371 /nfs/dbraw/zinc/53/63/71/1175536371.db2.gz GMIBCSLIJJQYCD-GFCCVEGCSA-N 2 0 255.406 1.221 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]C/C=C\Cl)C1 ZINC001690730893 1175557248 /nfs/dbraw/zinc/55/72/48/1175557248.db2.gz VVNQHVLDSVJUDT-ZVSVUTOMSA-N 2 0 299.846 1.661 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001690752067 1175564648 /nfs/dbraw/zinc/56/46/48/1175564648.db2.gz XYKRXNNRMAPCQB-OAHLLOKOSA-N 2 0 293.455 1.566 10 0 CDAERP CC(C)C[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001690879224 1175596447 /nfs/dbraw/zinc/59/64/47/1175596447.db2.gz BNDMWYNVEGPPID-OLZOCXBDSA-N 2 0 255.406 1.079 10 0 CDAERP CCCCC[NH2+][C@@H](CC)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001698624710 1175877789 /nfs/dbraw/zinc/87/77/89/1175877789.db2.gz FNVYIIXCBHZNOH-KBPBESRZSA-N 2 0 269.433 1.613 10 0 CDAERP C[C@@H]1CCCC[C@@]1(C[NH2+]CCF)NC(=O)CC[NH+](C)C ZINC001698660796 1175888765 /nfs/dbraw/zinc/88/87/65/1175888765.db2.gz HHDFEBDGXNTVOO-HIFRSBDPSA-N 2 0 287.423 1.562 10 0 CDAERP CCOCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001699127411 1176104899 /nfs/dbraw/zinc/10/48/99/1176104899.db2.gz CXMDKFLPRROGAL-ILXRZTDVSA-N 2 0 299.459 1.238 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001699358710 1176310359 /nfs/dbraw/zinc/31/03/59/1176310359.db2.gz KLBPIWYTWITYHC-HUUCEWRRSA-N 2 0 281.444 1.920 10 0 CDAERP CC/C=C\CC[NH2+]C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001699431622 1176394366 /nfs/dbraw/zinc/39/43/66/1176394366.db2.gz MZBUYLJTFXQLIY-WSNITJDQSA-N 2 0 267.417 1.533 10 0 CDAERP CCCC[NH2+][C@@H](CO)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001700808406 1177142429 /nfs/dbraw/zinc/14/24/29/1177142429.db2.gz MGULORLXJOBPJQ-HUUCEWRRSA-N 2 0 299.459 1.118 10 0 CDAERP CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001700941773 1177203955 /nfs/dbraw/zinc/20/39/55/1177203955.db2.gz ZZTWHGVEUYJMAB-GJZGRUSLSA-N 2 0 293.455 1.757 10 0 CDAERP COC[C@@H](C)[N@H+](C)CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001707392121 1178013299 /nfs/dbraw/zinc/01/32/99/1178013299.db2.gz IWFPWTOXMYZCLS-CQSZACIVSA-N 2 0 297.443 1.088 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001713175425 1178413493 /nfs/dbraw/zinc/41/34/93/1178413493.db2.gz BWCROOLQYKACHP-JOCQHMNTSA-N 2 0 255.406 1.364 10 0 CDAERP CC[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001713207325 1178431633 /nfs/dbraw/zinc/43/16/33/1178431633.db2.gz JNNJROKJQRNZMF-OKILXGFUSA-N 2 0 267.417 1.509 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCF ZINC001713263230 1178457862 /nfs/dbraw/zinc/45/78/62/1178457862.db2.gz GCDHEIVIPVQSRP-UONOGXRCSA-N 2 0 285.407 1.411 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001713344903 1178513100 /nfs/dbraw/zinc/51/31/00/1178513100.db2.gz ZJEXRANDVJBJIU-KBPBESRZSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)COCC[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001713593061 1178673673 /nfs/dbraw/zinc/67/36/73/1178673673.db2.gz UCMZLXKKYZDCMC-HUUCEWRRSA-N 2 0 299.459 1.047 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCCF)C1CC1 ZINC001713866744 1178801475 /nfs/dbraw/zinc/80/14/75/1178801475.db2.gz UCVJTCBXTNGEDH-GJZGRUSLSA-N 2 0 299.434 1.703 10 0 CDAERP CCCCC[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001713906357 1178835178 /nfs/dbraw/zinc/83/51/78/1178835178.db2.gz QXOCEWDISBVOGK-ZIAGYGMSSA-N 2 0 290.411 1.751 10 0 CDAERP CC/C=C/CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001713966028 1178897174 /nfs/dbraw/zinc/89/71/74/1178897174.db2.gz GRWMISNKSXVSLG-QVWFHYRISA-N 2 0 279.428 1.531 10 0 CDAERP C[C@@H](F)CC[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001714152002 1178992513 /nfs/dbraw/zinc/99/25/13/1178992513.db2.gz VIPMAAWZTIUERX-KGLIPLIRSA-N 2 0 299.434 1.705 10 0 CDAERP CCCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001714237309 1179038612 /nfs/dbraw/zinc/03/86/12/1179038612.db2.gz YERDENDCRFOCRB-KBPBESRZSA-N 2 0 269.433 1.754 10 0 CDAERP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CC1CC(C)(C)C1 ZINC001714270280 1179057819 /nfs/dbraw/zinc/05/78/19/1179057819.db2.gz NGSCJQAHMOVRAK-GFCCVEGCSA-N 2 0 269.433 1.469 10 0 CDAERP CCCCCC[N@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001714559071 1179215266 /nfs/dbraw/zinc/21/52/66/1179215266.db2.gz HKJHHWRLZZKHON-UHFFFAOYSA-N 2 0 283.460 1.957 10 0 CDAERP CC[C@H](C)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001714689311 1179331489 /nfs/dbraw/zinc/33/14/89/1179331489.db2.gz CUVZIIAJTQFANK-QWHCGFSZSA-N 2 0 255.406 1.175 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+]CCF)CC1 ZINC001714803230 1179404848 /nfs/dbraw/zinc/40/48/48/1179404848.db2.gz UHEFUUOVCULMSR-CYBMUJFWSA-N 2 0 287.423 1.513 10 0 CDAERP CCCC[NH2+]C[C@@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001714822641 1179411174 /nfs/dbraw/zinc/41/11/74/1179411174.db2.gz OBWLQYRXKCTTHK-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP COCCC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001715024752 1179516921 /nfs/dbraw/zinc/51/69/21/1179516921.db2.gz QSTUZVKUPPVMEF-HNNXBMFYSA-N 2 0 297.443 1.040 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001715031027 1179517704 /nfs/dbraw/zinc/51/77/04/1179517704.db2.gz LVVSYMOEJSULAD-AWFCHZOYSA-N 2 0 293.455 1.971 10 0 CDAERP CCCC[NH2+]C[C@@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001715359365 1179642065 /nfs/dbraw/zinc/64/20/65/1179642065.db2.gz XPDPGCMZLPITNQ-CYBMUJFWSA-N 2 0 269.433 1.565 10 0 CDAERP CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001715384168 1179652989 /nfs/dbraw/zinc/65/29/89/1179652989.db2.gz LPNFCAMUNURZIR-ZIAGYGMSSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)C[C@H](C[NH2+]CCF)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001715391964 1179655118 /nfs/dbraw/zinc/65/51/18/1179655118.db2.gz KZVJCIXRQSUWSI-ZIAGYGMSSA-N 2 0 287.423 1.418 10 0 CDAERP CC(C)[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CCCF ZINC001715692395 1179766476 /nfs/dbraw/zinc/76/64/76/1179766476.db2.gz QXRHNVQYVVPQQG-CYBMUJFWSA-N 2 0 285.407 1.172 10 0 CDAERP CC(C)[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCCF ZINC001715729135 1179782787 /nfs/dbraw/zinc/78/27/87/1179782787.db2.gz MOQCSHQXSYTJFX-QWHCGFSZSA-N 2 0 273.396 1.028 10 0 CDAERP C[C@H](C[NH2+]CC[C@H](C)F)NC(=O)C1(C[NH+](C)C)CC1 ZINC001715943812 1179932993 /nfs/dbraw/zinc/93/29/93/1179932993.db2.gz BETPASYSZZWNLO-NWDGAFQWSA-N 2 0 273.396 1.171 10 0 CDAERP COC[C@@H](C)[NH2+]C/C=C/CNC(=O)C[NH+]1CCC(C)CC1 ZINC001716357537 1180166981 /nfs/dbraw/zinc/16/69/81/1180166981.db2.gz PWQBOVWGAFESEW-MBVDDHJVSA-N 2 0 297.443 1.015 10 0 CDAERP CC[C@H](C)C[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001716375269 1180173007 /nfs/dbraw/zinc/17/30/07/1180173007.db2.gz DYYNQYYIWDQZSS-BUHQSOCUSA-N 2 0 267.417 1.246 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]CC=C(C)C)CC[N@@H+]1C ZINC001716395916 1180184699 /nfs/dbraw/zinc/18/46/99/1180184699.db2.gz XWTWUJZNKBAWQW-QLFBSQMISA-N 2 0 281.444 1.777 10 0 CDAERP C[C@H](C[NH2+]C/C=C/Cl)NC(=O)C[N@H+](C)C1CCC1 ZINC001716400146 1180186714 /nfs/dbraw/zinc/18/67/14/1180186714.db2.gz XHKRGDYOIADQHT-TZOMUSMUSA-N 2 0 273.808 1.318 10 0 CDAERP CC(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001716860714 1180444835 /nfs/dbraw/zinc/44/48/35/1180444835.db2.gz PVMFFVHTKJDHRK-NVXWUHKLSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)C[NH2+]CC[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001717088445 1180528548 /nfs/dbraw/zinc/52/85/48/1180528548.db2.gz VRDVAAPRPFNDIL-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP CCCC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001717281820 1180602729 /nfs/dbraw/zinc/60/27/29/1180602729.db2.gz RKZRACUPLNVFRP-LSDHHAIUSA-N 2 0 293.455 1.851 10 0 CDAERP COCC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001717336846 1180620444 /nfs/dbraw/zinc/62/04/44/1180620444.db2.gz SPBOVNZOBSOCDC-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP CCCC[NH2+][C@@H](C)[C@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001717618292 1180761322 /nfs/dbraw/zinc/76/13/22/1180761322.db2.gz ZKSCJTWQYXOBDD-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP COCCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001717737984 1180818536 /nfs/dbraw/zinc/81/85/36/1180818536.db2.gz KLEGFNUSTUUUNT-KKUMJFAQSA-N 2 0 299.459 1.190 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCOC(C)C)C[C@H]1C ZINC001717826447 1180882481 /nfs/dbraw/zinc/88/24/81/1180882481.db2.gz OWBORULEVXDPSF-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP CC(C)(C)[C@H](C[NH2+]CCF)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001717958586 1180948589 /nfs/dbraw/zinc/94/85/89/1180948589.db2.gz GQPMRQSQWXGXTE-KBPBESRZSA-N 2 0 299.434 1.418 10 0 CDAERP CC(C)CC[NH2+]CCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001723022163 1181510128 /nfs/dbraw/zinc/51/01/28/1181510128.db2.gz FXLZKELMZLGTBD-INIZCTEOSA-N 2 0 295.471 1.812 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CCC[NH2+]C/C=C\Cl)C1 ZINC001723123295 1181519125 /nfs/dbraw/zinc/51/91/25/1181519125.db2.gz LNSDYZCHGFVAGW-ACVFHECNSA-N 2 0 287.835 1.519 10 0 CDAERP CN(CCC[NH2+]CCCF)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001723150875 1181522408 /nfs/dbraw/zinc/52/24/08/1181522408.db2.gz WJDBFJBNENHPAX-LSDHHAIUSA-N 2 0 299.434 1.801 10 0 CDAERP CC[C@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@@H]1[NH2+]CCOC ZINC001723385286 1181545419 /nfs/dbraw/zinc/54/54/19/1181545419.db2.gz LVIDEUNHMBDAST-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001723453767 1181566688 /nfs/dbraw/zinc/56/66/88/1181566688.db2.gz RITVPJTWZHREPM-CQSZACIVSA-N 2 0 269.433 1.565 10 0 CDAERP CCCC[NH2+]C[C@]1(C)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001724263477 1181659517 /nfs/dbraw/zinc/65/95/17/1181659517.db2.gz PYTOYVZTHIOVAO-INIZCTEOSA-N 2 0 293.455 1.711 10 0 CDAERP CCCC[NH2+]CC1CC(NC(=O)Cn2ccnc2)C1 ZINC001725077197 1181846550 /nfs/dbraw/zinc/84/65/50/1181846550.db2.gz BNJKONYBQYNQFT-UHFFFAOYSA-N 2 0 264.373 1.168 10 0 CDAERP C[C@@H](O)C[NH2+]CCC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001725399296 1181988958 /nfs/dbraw/zinc/98/89/58/1181988958.db2.gz QNGSLHAHTLZKQL-ZIAGYGMSSA-N 2 0 299.459 1.116 10 0 CDAERP CC/C=C/CC[NH2+]C1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001725785213 1182130654 /nfs/dbraw/zinc/13/06/54/1182130654.db2.gz ZZMVCYMKWOVOAF-VOTSOKGWSA-N 2 0 281.444 1.873 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCCC[NH+](C)CC1CCOCC1 ZINC001731286878 1182295374 /nfs/dbraw/zinc/29/53/74/1182295374.db2.gz RFDVKQKFWWVBMJ-UHFFFAOYSA-N 2 0 299.459 1.191 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001731860095 1182633338 /nfs/dbraw/zinc/63/33/38/1182633338.db2.gz IFKQSNONKDQJRE-GJZGRUSLSA-N 2 0 281.444 1.566 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]C(C)C ZINC001732461433 1182977331 /nfs/dbraw/zinc/97/73/31/1182977331.db2.gz WNOCRDWPPWXTQV-KBPBESRZSA-N 2 0 269.433 1.706 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2CC[NH2+]CCF)C1 ZINC001732514228 1182993774 /nfs/dbraw/zinc/99/37/74/1182993774.db2.gz JWSCZOPVTMFYIJ-GJZGRUSLSA-N 2 0 299.434 1.659 10 0 CDAERP CC[N@H+](C)CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001732597462 1183039881 /nfs/dbraw/zinc/03/98/81/1183039881.db2.gz MKOWNWJTTMNTGN-CHWSQXEVSA-N 2 0 255.406 1.269 10 0 CDAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC[C@H](C)F ZINC001732849463 1183157654 /nfs/dbraw/zinc/15/76/54/1183157654.db2.gz FKVMLVKVDDEVNV-SSBHQGKESA-N 2 0 299.434 1.869 10 0 CDAERP Cc1cncc(C[NH2+]C/C=C\CNC(=O)CC[NH+](C)C)c1 ZINC001732893505 1183174181 /nfs/dbraw/zinc/17/41/81/1183174181.db2.gz FPYFHRJKZIACRS-PLNGDYQASA-N 2 0 290.411 1.104 10 0 CDAERP CCOCC[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001733058541 1183269428 /nfs/dbraw/zinc/26/94/28/1183269428.db2.gz LRQAFXRRYRSYKP-OAHLLOKOSA-N 2 0 299.459 1.191 10 0 CDAERP CCCC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001733553698 1183465027 /nfs/dbraw/zinc/46/50/27/1183465027.db2.gz REXJPUWBXYNGFM-LSDHHAIUSA-N 2 0 295.471 1.812 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CC[C@H](C[NH2+]CCF)CC2)C1 ZINC001733691408 1183497740 /nfs/dbraw/zinc/49/77/40/1183497740.db2.gz FQMSILNSPAETAD-RBSFLKMASA-N 2 0 299.434 1.562 10 0 CDAERP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H]([NH2+]CCCF)C1 ZINC001733857135 1183551356 /nfs/dbraw/zinc/55/13/56/1183551356.db2.gz HOBDTSFJHJKKKM-KGLIPLIRSA-N 2 0 287.423 1.514 10 0 CDAERP O=C(N[C@H]1C[C@H](C[NH2+]CCCF)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001734208360 1183691560 /nfs/dbraw/zinc/69/15/60/1183691560.db2.gz KBXXLRYWJVHIEF-BPLDGKMQSA-N 2 0 297.418 1.172 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H](C[NH2+]CCCF)C2)CC1 ZINC001734217251 1183694153 /nfs/dbraw/zinc/69/41/53/1183694153.db2.gz NRXRUGRCHDFLLU-JOCQHMNTSA-N 2 0 285.407 1.172 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001734219489 1183695144 /nfs/dbraw/zinc/69/51/44/1183695144.db2.gz QBZJBSUQZMWQPU-XGUBFFRZSA-N 2 0 299.434 1.561 10 0 CDAERP CCCC[NH2+][C@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001734354934 1183744708 /nfs/dbraw/zinc/74/47/08/1183744708.db2.gz RQMKGPVIRPQADA-CYBMUJFWSA-N 2 0 255.406 1.319 10 0 CDAERP CCC[NH+]1CCC(C[NH2+][C@H]2CCCN[C@H]2C)CC1 ZINC000925490468 711841348 /nfs/dbraw/zinc/84/13/48/711841348.db2.gz BTHYWANJRBSXMC-ZFWWWQNUSA-N 2 0 253.434 1.839 10 0 CDAERP [NH3+]CCCN(CCC[NH2+]C1CC1)CC(F)(F)F ZINC000923421351 711843227 /nfs/dbraw/zinc/84/32/27/711843227.db2.gz NDFVAVLCICSTLH-UHFFFAOYSA-N 2 0 253.312 1.342 10 0 CDAERP C[NH+]1CCC(C[NH2+]CCOC2CCOCC2)CC1 ZINC000701392684 711848976 /nfs/dbraw/zinc/84/89/76/711848976.db2.gz LWPPVCOOXIGKEI-UHFFFAOYSA-N 2 0 256.390 1.113 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCOCC(F)F)C1 ZINC000925648769 711859143 /nfs/dbraw/zinc/85/91/43/711859143.db2.gz FYMAHBVVXXVCKX-NXEZZACHSA-N 2 0 250.333 1.764 10 0 CDAERP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc2c(c1)CCC(=O)N2C ZINC000841062572 711872481 /nfs/dbraw/zinc/87/24/81/711872481.db2.gz AOTRXZBFEUXDNH-WFASDCNBSA-N 2 0 287.407 1.683 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000870880138 711894433 /nfs/dbraw/zinc/89/44/33/711894433.db2.gz XLROPDXIIUZVJL-FIXISWKDSA-N 2 0 283.335 1.333 10 0 CDAERP CC1(C)CC[NH2+]CCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC000872298281 711898784 /nfs/dbraw/zinc/89/87/84/711898784.db2.gz FXTMAHNBJCGGNH-UHFFFAOYSA-N 2 0 272.352 1.548 10 0 CDAERP [NH3+]CCC[C@@H]([NH2+]CC[C@H]1CNC(=O)C1)c1ccccc1 ZINC000925839579 711904242 /nfs/dbraw/zinc/90/42/42/711904242.db2.gz RLARFMCFUSIMAN-UKRRQHHQSA-N 2 0 275.396 1.582 10 0 CDAERP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)C[C@@H]([NH3+])C1CC1 ZINC000843506749 711908885 /nfs/dbraw/zinc/90/88/85/711908885.db2.gz FDOZIEYMEUVFID-CABCVRRESA-N 2 0 273.380 1.199 10 0 CDAERP C[NH+](C)CCN(C(=O)[C@H]1C[NH2+]CC1(C)C)C1CCCC1 ZINC000711235998 711911414 /nfs/dbraw/zinc/91/14/14/711911414.db2.gz HBEPYUBOZOJGLX-CQSZACIVSA-N 2 0 281.444 1.565 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711272470 711921109 /nfs/dbraw/zinc/92/11/09/711921109.db2.gz IHGNWQUILYEFMW-CHWSQXEVSA-N 2 0 267.417 1.175 10 0 CDAERP CC(C)[C@H]1CN(C(=S)NCCC[NH+](C)C)CC[N@@H+]1C ZINC000865268362 711929507 /nfs/dbraw/zinc/92/95/07/711929507.db2.gz GSTQEJYGFCXCKM-CYBMUJFWSA-N 2 0 286.489 1.085 10 0 CDAERP CN(CCC[NH2+]C1CC1)CC[C@H]1CCCC[N@@H+]1C ZINC000923325543 711944842 /nfs/dbraw/zinc/94/48/42/711944842.db2.gz VOISKIAACLZVDP-OAHLLOKOSA-N 2 0 253.434 1.935 10 0 CDAERP CN1C(=O)c2ccccc2[C@@H]1C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925716112 712016804 /nfs/dbraw/zinc/01/68/04/712016804.db2.gz BBHZUBJQUPRCIT-SOUVJXGZSA-N 2 0 285.391 1.673 10 0 CDAERP COC(=O)c1coc([C@@H](C)[NH2+]CCN2CCC([NH3+])CC2)c1 ZINC000925811990 712033602 /nfs/dbraw/zinc/03/36/02/712033602.db2.gz LTYJJOTWPCIILH-LLVKDONJSA-N 2 0 295.383 1.140 10 0 CDAERP C[C@H]1C[N@H+](CCC(=O)NCC2CCCCC2)CC[C@@H]1C[NH3+] ZINC000923496978 712042090 /nfs/dbraw/zinc/04/20/90/712042090.db2.gz KTSMVGOQQKUWIK-GOEBONIOSA-N 2 0 295.471 1.990 10 0 CDAERP COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925644621 712065058 /nfs/dbraw/zinc/06/50/58/712065058.db2.gz NWZARGGTCMZXIN-XUXIUFHCSA-N 2 0 295.427 1.713 10 0 CDAERP [NH3+]C1CCC([NH2+][C@@H]2CCCN3CCSC[C@@H]23)CC1 ZINC000718348966 712098241 /nfs/dbraw/zinc/09/82/41/712098241.db2.gz DGVVLMMCGWYCQV-PQAZSJQKSA-N 2 0 269.458 1.426 10 0 CDAERP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C=C1CC[NH2+]CC1 ZINC000852884300 712105746 /nfs/dbraw/zinc/10/57/46/712105746.db2.gz IALSBZXHNYVPRF-JSGCOSHPSA-N 2 0 265.401 1.095 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)C(C)(C)[C@H]([NH3+])C(C)C)CC1 ZINC000713010886 712115457 /nfs/dbraw/zinc/11/54/57/712115457.db2.gz XBEUGHQQYXTBPN-CQSZACIVSA-N 2 0 283.460 1.796 10 0 CDAERP O[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000923366685 712127843 /nfs/dbraw/zinc/12/78/43/712127843.db2.gz OKQUYJXCAMDIAQ-IAGOWNOFSA-N 2 0 274.408 1.666 10 0 CDAERP [NH3+]CCC[N@@H+](Cc1ccccc1)C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000724594507 712129804 /nfs/dbraw/zinc/12/98/04/712129804.db2.gz OPVIUEYTOOJDHL-IXDOHACOSA-N 2 0 290.407 1.641 10 0 CDAERP C[N@@H+]1CCN(C(=O)[C@H]2CC23CC[NH2+]CC3)CCC1(C)C ZINC000712691954 712142669 /nfs/dbraw/zinc/14/26/69/712142669.db2.gz XIAOLKBVAAUPGE-CYBMUJFWSA-N 2 0 279.428 1.319 10 0 CDAERP C[C@H]([NH2+]CCOCC[NH+](C)C)C1CC(F)(F)C1 ZINC000926254141 712162268 /nfs/dbraw/zinc/16/22/68/712162268.db2.gz KSKNFJWFHUXTLG-JTQLQIEISA-N 2 0 250.333 1.588 10 0 CDAERP CC(C)[N@H+](C)C[C@H](O)CNC[C@]12OCCC[C@H]1C2(F)F ZINC000849330265 712200948 /nfs/dbraw/zinc/20/09/48/712200948.db2.gz MZGUZUBBORMTRW-UPJWGTAASA-N 2 0 292.370 1.091 10 0 CDAERP [NH3+]C[C@@H]1CN(CCC[NH2+]C2CC2)CC[C@@H]1C(F)(F)F ZINC000923401504 712208360 /nfs/dbraw/zinc/20/83/60/712208360.db2.gz OQDGTRDCTCYTHL-PWSUYJOCSA-N 2 0 279.350 1.588 10 0 CDAERP C[NH+](C)CCCOc1cnccc1C[NH2+]C[C@@H](O)C1CC1 ZINC000819316811 712216773 /nfs/dbraw/zinc/21/67/73/712216773.db2.gz USBGCWJQLXFDOV-OAHLLOKOSA-N 2 0 293.411 1.273 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000924697515 712225211 /nfs/dbraw/zinc/22/52/11/712225211.db2.gz UAGMBGAPHOFLSL-AFLMIKJESA-N 2 0 263.429 1.543 10 0 CDAERP Cc1nc2c(s1)[C@@H]([NH2+]CCN1CCC([NH3+])CC1)CCC2 ZINC000925809465 712230328 /nfs/dbraw/zinc/23/03/28/712230328.db2.gz ILLCPTKFGPUVHC-ZDUSSCGKSA-N 2 0 294.468 1.842 10 0 CDAERP O[C@@H]1CCC[C@H]1C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925689458 712241062 /nfs/dbraw/zinc/24/10/62/712241062.db2.gz HHIAHIMGBPJEIX-YHUYYLMFSA-N 2 0 266.429 1.905 10 0 CDAERP CC[C@H]([NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1)c1c(C)noc1C ZINC000923379282 712245324 /nfs/dbraw/zinc/24/53/24/712245324.db2.gz OGVNNOLBHNQWOB-STQMWFEESA-N 2 0 279.384 1.711 10 0 CDAERP C[NH+](C)C1(C)CCC([NH2+]C[C@H](O)C[C@](C)(O)C2CC2)CC1 ZINC000872228335 712254162 /nfs/dbraw/zinc/25/41/62/712254162.db2.gz HAJZTSPLCQDPDP-MYBQVCMBSA-N 2 0 298.471 1.751 10 0 CDAERP O=C1O[C@H](C[NH2+]C2CCCCC2)CC12CC[NH2+]CC2 ZINC000925854675 712299025 /nfs/dbraw/zinc/29/90/25/712299025.db2.gz MKJBCEXORGWJGK-ZDUSSCGKSA-N 2 0 266.385 1.594 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CC[NH+](C)[C@H]1C ZINC000922466772 712300411 /nfs/dbraw/zinc/30/04/11/712300411.db2.gz QKYOKOHXVNFDLI-IHRRRGAJSA-N 2 0 282.432 1.253 10 0 CDAERP CCn1cnnc1CC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925571048 712329217 /nfs/dbraw/zinc/32/92/17/712329217.db2.gz DDJQEBHSAREWEN-HUUCEWRRSA-N 2 0 291.443 1.598 10 0 CDAERP [NH3+][C@H]1C[C@@H]([NH2+]CCCOC2CCOCC2)C12CCC2 ZINC000925582743 712341531 /nfs/dbraw/zinc/34/15/31/712341531.db2.gz ZHZLZGVCNKXUAC-UONOGXRCSA-N 2 0 268.401 1.432 10 0 CDAERP CC[C@H]([NH2+]CCCN1CC[NH+](CC)CC1)[C@H]1CCCOC1 ZINC000872024067 712352753 /nfs/dbraw/zinc/35/27/53/712352753.db2.gz YAZSVCLEMQFANF-IRXDYDNUSA-N 2 0 297.487 1.809 10 0 CDAERP COCc1cnc(C[NH2+]CCCCCC[NH3+])s1 ZINC000843126163 712363294 /nfs/dbraw/zinc/36/32/94/712363294.db2.gz BIRPCLXSYLNIEJ-UHFFFAOYSA-N 2 0 257.403 1.898 10 0 CDAERP CCC(C)(C)[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC000925340446 712379804 /nfs/dbraw/zinc/37/98/04/712379804.db2.gz CNRZWNRTBLZPKA-KBPBESRZSA-N 2 0 296.459 1.595 10 0 CDAERP CCOC[C@H](C)[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925807585 712397097 /nfs/dbraw/zinc/39/70/97/712397097.db2.gz FOTBBXQTHKXISC-HNNXBMFYSA-N 2 0 291.439 1.606 10 0 CDAERP C[NH+]1CCC2(CCC[N@H+](C[C@@H]3C[C@@H]4COC[C@@H]4O3)C2)CC1 ZINC000930309990 712398383 /nfs/dbraw/zinc/39/83/83/712398383.db2.gz PTRCWOWDUJMDKI-PMPSAXMXSA-N 2 0 294.439 1.598 10 0 CDAERP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cccnc1-n1ccnc1 ZINC000817898209 712401946 /nfs/dbraw/zinc/40/19/46/712401946.db2.gz FVWQRMGVSUBFBW-UKRRQHHQSA-N 2 0 285.395 1.874 10 0 CDAERP C[NH+]1CCC(CCNC(=[NH2+])NC[C@@H]2CCCO2)CC1 ZINC000848998554 712404048 /nfs/dbraw/zinc/40/40/48/712404048.db2.gz STYGJNBZPDWTDJ-ZDUSSCGKSA-N 2 0 268.405 1.011 10 0 CDAERP CO[C@H](C[NH+]1CCC(C)([NH+](C)C)CC1)[C@@H]1CCOC1 ZINC000931355644 712424082 /nfs/dbraw/zinc/42/40/82/712424082.db2.gz UAFWJJQHLISELP-ZIAGYGMSSA-N 2 0 270.417 1.454 10 0 CDAERP CCCNC(=O)CC[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000924732580 712424957 /nfs/dbraw/zinc/42/49/57/712424957.db2.gz ZFIYVRJAMFHUPW-ZIAGYGMSSA-N 2 0 267.417 1.509 10 0 CDAERP C[C@H](C[NH2+][C@@H](C1CC1)C1CCOCC1)N1CC[NH+](C)CC1 ZINC000924967301 712426204 /nfs/dbraw/zinc/42/62/04/712426204.db2.gz XDMTZUZNHYUFLO-PBHICJAKSA-N 2 0 295.471 1.417 10 0 CDAERP C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923500538 712446656 /nfs/dbraw/zinc/44/66/56/712446656.db2.gz PLKBOGLICXAOCY-WOPDTQHZSA-N 2 0 255.406 1.206 10 0 CDAERP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccoc1 ZINC000779573985 712457444 /nfs/dbraw/zinc/45/74/44/712457444.db2.gz OJMRWLYPNQVJPW-UHFFFAOYSA-N 2 0 251.374 1.349 10 0 CDAERP COc1ccc([C@H](C[NH3+])C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000923494986 712487493 /nfs/dbraw/zinc/48/74/93/712487493.db2.gz RIRLZRBMDWYBGD-NUEKZKHPSA-N 2 0 291.439 1.654 10 0 CDAERP [NH3+]Cc1ccc(NC(=O)CCC23CC(C2)C[NH2+]3)cc1 ZINC000870940246 712495227 /nfs/dbraw/zinc/49/52/27/712495227.db2.gz HFVZRUZPHLUOSD-UHFFFAOYSA-N 2 0 259.353 1.616 10 0 CDAERP C([C@@H]1C[C@@H]2COC[C@H]2O1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000724587576 712500969 /nfs/dbraw/zinc/50/09/69/712500969.db2.gz VOVDEUKPGABMNO-RBGFHDKUSA-N 2 0 280.412 1.254 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC000864068410 712507278 /nfs/dbraw/zinc/50/72/78/712507278.db2.gz QVQGWBPIQSBZQW-CJNGLKHVSA-N 2 0 279.428 1.461 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000857253344 712512727 /nfs/dbraw/zinc/51/27/27/712512727.db2.gz KHELOWUVHQFMON-VLEAKVRGSA-N 2 0 281.227 1.912 10 0 CDAERP C[C@H]1CCCN(CCCCS(C)(=O)=O)[C@H]1CC[NH3+] ZINC000706504479 712519537 /nfs/dbraw/zinc/51/95/37/712519537.db2.gz KQELZAVNUZYZRE-STQMWFEESA-N 2 0 276.446 1.261 10 0 CDAERP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870873242 712699401 /nfs/dbraw/zinc/69/94/01/712699401.db2.gz GGUNHUPFMPTUGG-MMCSFCSJSA-N 2 0 293.455 1.596 10 0 CDAERP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000713036507 712717009 /nfs/dbraw/zinc/71/70/09/712717009.db2.gz ASUZNYVHJCMJKA-MCIONIFRSA-N 2 0 283.460 1.985 10 0 CDAERP C(C[NH+]1CCCCCC1)N[C@H]1CC[NH2+]C12CCC2 ZINC000925525293 712719913 /nfs/dbraw/zinc/71/99/13/712719913.db2.gz HFBOIZDKQUYHDO-AWEZNQCLSA-N 2 0 251.418 1.737 10 0 CDAERP C[N@@H+]1CC[C@@H](CCOC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000847820756 712724413 /nfs/dbraw/zinc/72/44/13/712724413.db2.gz SSGDHSVIEXEMKZ-LBPRGKRZSA-N 2 0 273.336 1.833 10 0 CDAERP CC(C)OC[C@@H](O)C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000872204332 712741500 /nfs/dbraw/zinc/74/15/00/712741500.db2.gz NYQLVNGJBBMQRE-UONOGXRCSA-N 2 0 274.449 1.728 10 0 CDAERP CCCNc1cc(N2CC[N@@H+]3CCC[C@H]3C2)ncn1 ZINC000249675834 712743693 /nfs/dbraw/zinc/74/36/93/712743693.db2.gz HXYCVCRRJPRZKM-LBPRGKRZSA-N 2 0 261.373 1.583 10 0 CDAERP CCC(CC)(C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2)C(=O)OC ZINC000925647792 712764618 /nfs/dbraw/zinc/76/46/18/712764618.db2.gz HHALJXYCBRLQCY-RYUDHWBXSA-N 2 0 268.401 1.825 10 0 CDAERP C[NH+](C)CC1CC[NH+](CCO[C@@H]2CCOC2)CC1 ZINC000929282458 712767972 /nfs/dbraw/zinc/76/79/72/712767972.db2.gz KBENFBHQVLZFOQ-CQSZACIVSA-N 2 0 256.390 1.066 10 0 CDAERP C[C@@H]1C[C@H]1NC(=[NH2+])NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000864464370 712793631 /nfs/dbraw/zinc/79/36/31/712793631.db2.gz BBQFNJPBLVAILR-RAIGVLPGSA-N 2 0 250.390 1.526 10 0 CDAERP C[C@H](O)[C@H](O)C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000865738542 1164687758 /nfs/dbraw/zinc/68/77/58/1164687758.db2.gz NOEXKISHBUQCOC-XJNFMUPTSA-N 2 0 292.423 1.371 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)C2(C[NH3+])CCCC2)C1 ZINC000870994921 1165250595 /nfs/dbraw/zinc/25/05/95/1165250595.db2.gz YFEMUKYRAXNDRZ-MRXNPFEDSA-N 2 0 281.444 1.729 10 0 CDAERP CCC[C@H](C)C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872256567 1165404514 /nfs/dbraw/zinc/40/45/14/1165404514.db2.gz XGALUHXENMPPAI-DGAVXFQQSA-N 2 0 281.400 1.290 10 0 CDAERP C=Cn1cc(C[N@H+](CCOC)CC2CC[NH+](C)CC2)cn1 ZINC000877663901 1166074806 /nfs/dbraw/zinc/07/48/06/1166074806.db2.gz CPFSESCTQFIFHE-UHFFFAOYSA-N 2 0 292.427 1.774 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)C[NH2+]CC)C1 ZINC001569013637 1167548107 /nfs/dbraw/zinc/54/81/07/1167548107.db2.gz VMGNBFSJMRSVQN-CHWSQXEVSA-N 2 0 255.406 1.223 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC001645892453 1167555538 /nfs/dbraw/zinc/55/55/38/1167555538.db2.gz DSERQJJLUMGPGR-HUUCEWRRSA-N 2 0 279.428 1.495 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001569306343 1167555999 /nfs/dbraw/zinc/55/59/99/1167555999.db2.gz MGBZGDCIUGZBLU-UONOGXRCSA-N 2 0 267.417 1.365 10 0 CDAERP Cc1oncc1C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001569189287 1167554915 /nfs/dbraw/zinc/55/49/15/1167554915.db2.gz ZFGCCULZTYUDJC-CQSZACIVSA-N 2 0 294.399 1.015 10 0 CDAERP COCC[NH2+][C@H](C)[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001570642389 1167579490 /nfs/dbraw/zinc/57/94/90/1167579490.db2.gz TYALUUOUQNQRPK-KGLIPLIRSA-N 2 0 299.459 1.236 10 0 CDAERP O=C(CCC[NH+]1CCCCC1)N1CC[C@H]([NH2+]CCCF)C1 ZINC001566778438 1168416892 /nfs/dbraw/zinc/41/68/92/1168416892.db2.gz DRCWVJYDGDBIRH-HNNXBMFYSA-N 2 0 299.434 1.803 10 0 CDAERP CC(C)[C@@H](C[NH2+]Cc1ccoc1)N1CC[NH+](C)CC1 ZINC000062103583 912256565 /nfs/dbraw/zinc/25/65/65/912256565.db2.gz RBRSIPSPZDPSAY-OAHLLOKOSA-N 2 0 265.401 1.641 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001483689418 912758430 /nfs/dbraw/zinc/75/84/30/912758430.db2.gz QPGOACQBONRTDI-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001567152852 1168598729 /nfs/dbraw/zinc/59/87/29/1168598729.db2.gz CIOCINJHXFGYDC-KBPBESRZSA-N 2 0 267.417 1.032 10 0 CDAERP CCCC[NH2+][C@@H](C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001567230589 1168632116 /nfs/dbraw/zinc/63/21/16/1168632116.db2.gz MHOLKDJQMRSJQW-KGLIPLIRSA-N 2 0 269.433 1.613 10 0 CDAERP CC(C)[NH+](C)CC(=O)NCCC[C@H]1CCC[N@H+]1C[C@@H](C)O ZINC001567266250 1168643918 /nfs/dbraw/zinc/64/39/18/1168643918.db2.gz HHSPILKKTDNMFS-CABCVRRESA-N 2 0 299.459 1.068 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]CCCCCF)C2)CCC1 ZINC001266689967 895837116 /nfs/dbraw/zinc/83/71/16/895837116.db2.gz CGVPDKWGADNUHA-OKILXGFUSA-N 2 0 299.434 1.847 10 0 CDAERP C([NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1)C1CC[NH2+]CC1 ZINC000723648981 896099233 /nfs/dbraw/zinc/09/92/33/896099233.db2.gz XRQYJGOLFZNLQK-RRFJBIMHSA-N 2 0 252.402 1.781 10 0 CDAERP C[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1CC[NH3+] ZINC000723892222 896254244 /nfs/dbraw/zinc/25/42/44/896254244.db2.gz VHHQEXCQEMUOKD-MGPQQGTHSA-N 2 0 256.390 1.099 10 0 CDAERP CCCCC[NH2+][C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001266972051 896471241 /nfs/dbraw/zinc/47/12/41/896471241.db2.gz SYNAYTRGQZWDQW-ZIAGYGMSSA-N 2 0 269.433 1.613 10 0 CDAERP CC/C=C/CC[NH2+][C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001266992981 896509829 /nfs/dbraw/zinc/50/98/29/896509829.db2.gz GKRYLXJJELJWKQ-NNTXTVRGSA-N 2 0 267.417 1.533 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]CCCF)C1 ZINC001267070472 896686080 /nfs/dbraw/zinc/68/60/80/896686080.db2.gz MHSCCDGIUCLAFX-CYBMUJFWSA-N 2 0 273.396 1.124 10 0 CDAERP CC[C@H](C[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC)OC ZINC001267116976 896836406 /nfs/dbraw/zinc/83/64/06/896836406.db2.gz LEOMACBDGNSQII-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP CC/C=C/CC[NH2+][C@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001267152842 896935593 /nfs/dbraw/zinc/93/55/93/896935593.db2.gz VRYMGFGHDIFJHI-MBVDDHJVSA-N 2 0 293.455 1.923 10 0 CDAERP CCC[N@H+](C[C@@H]1C[C@H]2COC[C@@H]2O1)C1CC[NH2+]CC1 ZINC000724577521 896950570 /nfs/dbraw/zinc/95/05/70/896950570.db2.gz LHHOTGZBNKYMBO-QEJZJMRPSA-N 2 0 268.401 1.254 10 0 CDAERP CC[N@H+](CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C(C)C ZINC001418585511 897070282 /nfs/dbraw/zinc/07/02/82/897070282.db2.gz GXIUSBFUYXHJLP-OAHLLOKOSA-N 2 0 283.460 1.953 10 0 CDAERP CCc1ccccc1C[NH2+]CCN(C)C(=O)CC[NH+](C)C ZINC001567555264 1168853195 /nfs/dbraw/zinc/85/31/95/1168853195.db2.gz FPBILQQHLJZROQ-UHFFFAOYSA-N 2 0 291.439 1.749 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CCC1=CCCCC1 ZINC001267230281 897235589 /nfs/dbraw/zinc/23/55/89/897235589.db2.gz KVLXJJRMVCZNOL-INIZCTEOSA-N 2 0 293.455 1.877 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001480934792 897702531 /nfs/dbraw/zinc/70/25/31/897702531.db2.gz GVRJPAGDFKPKDY-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)C[C@H](C)C[NH2+]CCN(C)C(=O)Cc1ncc[nH]1 ZINC001267446349 897913953 /nfs/dbraw/zinc/91/39/53/897913953.db2.gz PFYFCDLOIUPMIK-ZDUSSCGKSA-N 2 0 280.416 1.682 10 0 CDAERP CN(CC[NH2+]CC1CC(C)(C)C1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001267456439 897934818 /nfs/dbraw/zinc/93/48/18/897934818.db2.gz XIYNECNZABGMAO-AWEZNQCLSA-N 2 0 295.471 1.812 10 0 CDAERP CC[C@@H](C(=O)N(C)CC[NH2+]Cc1cncc(C)c1)[NH+](C)C ZINC001267457214 897937673 /nfs/dbraw/zinc/93/76/73/897937673.db2.gz VSWICDLCZRFERZ-HNNXBMFYSA-N 2 0 292.427 1.278 10 0 CDAERP CC(C)C[C@H](CNC(=[NH2+])NC[C@@H]1CCCO1)[NH+](C)C ZINC000066245042 898254452 /nfs/dbraw/zinc/25/44/52/898254452.db2.gz ORYLVZOBEZCXLR-OLZOCXBDSA-N 2 0 270.421 1.046 10 0 CDAERP CC[NH2+]CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001481245006 899624016 /nfs/dbraw/zinc/62/40/16/899624016.db2.gz CHHZYWXQUPOQEX-STQMWFEESA-N 2 0 253.390 1.071 10 0 CDAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC1(C[NH2+]CCF)CCCC1 ZINC001267838334 899848214 /nfs/dbraw/zinc/84/82/14/899848214.db2.gz DHRYXNNJTVXTBY-CQSZACIVSA-N 2 0 299.434 1.849 10 0 CDAERP CCCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268071409 901099580 /nfs/dbraw/zinc/09/95/80/901099580.db2.gz OMXAUTYGCLOYQL-KBPBESRZSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001268073030 901101837 /nfs/dbraw/zinc/10/18/37/901101837.db2.gz XYGGZGRXVORMGD-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)C[C@H](C[NH2+]CCC1CC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268116126 901330154 /nfs/dbraw/zinc/33/01/54/901330154.db2.gz GOQFZVAYUGFJIG-HZPDHXFCSA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001268162590 901457713 /nfs/dbraw/zinc/45/77/13/901457713.db2.gz KODYVIHAIYPQER-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CCCCCC[NH+]1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001481642222 901579453 /nfs/dbraw/zinc/57/94/53/901579453.db2.gz FRIWNIRNZFXNLL-UHFFFAOYSA-N 2 0 295.471 1.957 10 0 CDAERP C[NH2+]C[C@@H]1CCC[N@H+](C[C@H](O)CC2CCCC2)C1 ZINC000300072676 901884566 /nfs/dbraw/zinc/88/45/66/901884566.db2.gz TWCGURZBASHZDI-LSDHHAIUSA-N 2 0 254.418 1.859 10 0 CDAERP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCOC1CCOCC1 ZINC000925878058 901973279 /nfs/dbraw/zinc/97/32/79/901973279.db2.gz PWUQCCYARITCKI-OCCSQVGLSA-N 2 0 256.390 1.289 10 0 CDAERP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)C(C)(C)n1cncn1 ZINC000925879537 901975452 /nfs/dbraw/zinc/97/54/52/901975452.db2.gz HHTHOBMYBBWHOG-UTUOFQBUSA-N 2 0 251.378 1.119 10 0 CDAERP CC(C)=CCN1CC(NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001268446683 902068750 /nfs/dbraw/zinc/06/87/50/902068750.db2.gz JCUDYMLKAZPQNY-CQSZACIVSA-N 2 0 267.417 1.339 10 0 CDAERP CCN(CC[NH2+]C(C)C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001268458397 902169020 /nfs/dbraw/zinc/16/90/20/902169020.db2.gz AUWLMOFYXDCNIN-AWEZNQCLSA-N 2 0 269.433 1.707 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccccc1 ZINC001268520591 902499912 /nfs/dbraw/zinc/49/99/12/902499912.db2.gz DGFQBMWDQAVTHY-JFDDCEBESA-N 2 0 287.407 1.543 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC1CCCC1 ZINC001268525701 902506705 /nfs/dbraw/zinc/50/67/05/902506705.db2.gz ZBPHFMDMYZRKNX-RGDDUWESSA-N 2 0 279.428 1.533 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)NCc2ccc(C[NH2+]CCF)cc2)C1 ZINC001482035005 902516388 /nfs/dbraw/zinc/51/63/88/902516388.db2.gz KDRHBVAUMUNELA-OAHLLOKOSA-N 2 0 293.386 1.314 10 0 CDAERP CCCCC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268543351 902540416 /nfs/dbraw/zinc/54/04/16/902540416.db2.gz WUWWCSLGQCKIKJ-FHFZEBMASA-N 2 0 281.444 1.779 10 0 CDAERP COCCCC[N@H+](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001498376810 902568100 /nfs/dbraw/zinc/56/81/00/902568100.db2.gz SSFDVJIEQWIEIU-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP CC(C)(C(=O)NC/C=C/C[NH2+]CCC1CC1)[NH+]1CCCC1 ZINC001268574320 902627673 /nfs/dbraw/zinc/62/76/73/902627673.db2.gz SRHODHNTBQDOFH-ONEGZZNKSA-N 2 0 293.455 1.923 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001482109966 902653328 /nfs/dbraw/zinc/65/33/28/902653328.db2.gz LAUBHXTUYONHFI-CABCVRRESA-N 2 0 283.460 1.859 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CC1CCCC1 ZINC001268579976 902659642 /nfs/dbraw/zinc/65/96/42/902659642.db2.gz UTEYFEJKWJUJAU-JFDDCEBESA-N 2 0 293.455 1.923 10 0 CDAERP CCC[NH2+]C[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001268673646 902933829 /nfs/dbraw/zinc/93/38/29/902933829.db2.gz IXCFNXLXDSGEKH-CQSZACIVSA-N 2 0 269.433 1.757 10 0 CDAERP CN(CCC[NH2+]CC1CC1)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001268876643 903201290 /nfs/dbraw/zinc/20/12/90/903201290.db2.gz LTYPUWOXVVQGKD-JKSUJKDBSA-N 2 0 293.455 1.851 10 0 CDAERP CC[C@H](C(=O)N(CC)[C@H]1CC[N@@H+](C(C)C)C1)[NH+](C)C ZINC001269349386 903722063 /nfs/dbraw/zinc/72/20/63/903722063.db2.gz SRVZMZFMYRNAMV-UONOGXRCSA-N 2 0 269.433 1.658 10 0 CDAERP CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001269755323 904088992 /nfs/dbraw/zinc/08/89/92/904088992.db2.gz LUIAZMXXRZEPEH-LSDHHAIUSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C[NH2+]CCF ZINC001279125706 904263265 /nfs/dbraw/zinc/26/32/65/904263265.db2.gz RLFQGBHBIPRCEQ-KGLIPLIRSA-N 2 0 297.418 1.268 10 0 CDAERP C[NH+]1CCC(C(=O)N2CC[C@H](CC[NH2+]CCCF)C2)CC1 ZINC001280174363 904407203 /nfs/dbraw/zinc/40/72/03/904407203.db2.gz XITPAABEYGGXSD-AWEZNQCLSA-N 2 0 299.434 1.516 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001270569020 904743925 /nfs/dbraw/zinc/74/39/25/904743925.db2.gz RHGSFXISNLGNCL-CABCVRRESA-N 2 0 283.460 1.716 10 0 CDAERP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]C/C=C/Cl ZINC001270596920 904773374 /nfs/dbraw/zinc/77/33/74/904773374.db2.gz WYSYTINQGPQHDX-ITKZLYELSA-N 2 0 273.808 1.177 10 0 CDAERP CC(C)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001482379103 905256814 /nfs/dbraw/zinc/25/68/14/905256814.db2.gz GNWZWSSWIORQBG-CABCVRRESA-N 2 0 283.460 1.857 10 0 CDAERP CC(C)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001482379104 905256852 /nfs/dbraw/zinc/25/68/52/905256852.db2.gz GNWZWSSWIORQBG-GJZGRUSLSA-N 2 0 283.460 1.857 10 0 CDAERP C[NH+]1CCC(C[NH2+]C[C@@H]2COc3ccccc3O2)CC1 ZINC000054240246 906146017 /nfs/dbraw/zinc/14/60/17/906146017.db2.gz YCNMYKALPDHKIK-CQSZACIVSA-N 2 0 276.380 1.758 10 0 CDAERP CC(C)[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CCF ZINC001482535840 906909146 /nfs/dbraw/zinc/90/91/46/906909146.db2.gz GRSMHKPCYZMCEH-KBPBESRZSA-N 2 0 287.423 1.561 10 0 CDAERP CCC[NH2+][C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001482565141 907146463 /nfs/dbraw/zinc/14/64/63/907146463.db2.gz JBMHJMIEUQXUPL-UONOGXRCSA-N 2 0 269.433 1.469 10 0 CDAERP C[C@@H](CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)[NH+]1CCCCC1 ZINC000841724292 908144614 /nfs/dbraw/zinc/14/46/14/908144614.db2.gz FHYZKVOBNPVZGI-DZGCQCFKSA-N 2 0 294.443 1.397 10 0 CDAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]CCCF ZINC001482831464 908410059 /nfs/dbraw/zinc/41/00/59/908410059.db2.gz NBXDGVHWQZEIHX-UONOGXRCSA-N 2 0 287.423 1.703 10 0 CDAERP COCCC[NH2+]CC[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001482851263 908428517 /nfs/dbraw/zinc/42/85/17/908428517.db2.gz MARATANGTSUJSO-AWEZNQCLSA-N 2 0 297.443 1.136 10 0 CDAERP CC[C@H](C)C[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C ZINC001482942285 908513463 /nfs/dbraw/zinc/51/34/63/908513463.db2.gz KADFSQQVJLBFMG-UONOGXRCSA-N 2 0 269.433 1.565 10 0 CDAERP CN(CCC[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1)CC[NH+](C)C ZINC000922273287 921448205 /nfs/dbraw/zinc/44/82/05/921448205.db2.gz DFIJQHVZSDYDCR-GVDBMIGSSA-N 2 0 297.487 1.665 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC/C=C/C[NH2+]CC2CCCC2)C1 ZINC001483057768 909186616 /nfs/dbraw/zinc/18/66/16/909186616.db2.gz DWOHWCYDYRDILK-RGDDUWESSA-N 2 0 293.455 1.780 10 0 CDAERP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@H]1CC2(CO1)CCOCC2 ZINC000712604904 909569148 /nfs/dbraw/zinc/56/91/48/909569148.db2.gz PSXLXVRJZNBJMI-HUUCEWRRSA-N 2 0 284.444 1.877 10 0 CDAERP CCO[C@@H]1C[N@H+](C[C@H]2CC[C@@H](C3CC3)O2)C[C@H]1C[NH3+] ZINC000715397962 909927865 /nfs/dbraw/zinc/92/78/65/909927865.db2.gz XXVPIKOUQZVOTP-APIJFGDWSA-N 2 0 268.401 1.240 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]CC[C@H]1CCOC1 ZINC000668475380 910439005 /nfs/dbraw/zinc/43/90/05/910439005.db2.gz PRRKJTPUKZTPGV-GJZGRUSLSA-N 2 0 271.449 1.275 10 0 CDAERP C[C@H]1C[N@H+](CC(=O)NC2CCCCCC2)CC[C@@H]1C[NH3+] ZINC000165321415 910700532 /nfs/dbraw/zinc/70/05/32/910700532.db2.gz GTQARQXZPLAPTD-UONOGXRCSA-N 2 0 281.444 1.742 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]C(C)C ZINC001483475365 911166517 /nfs/dbraw/zinc/16/65/17/911166517.db2.gz SNZWQLSGQBTLMN-OAHLLOKOSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)C[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001483605787 911312835 /nfs/dbraw/zinc/31/28/35/911312835.db2.gz SFTWIJCJZFISHF-CQSZACIVSA-N 2 0 267.417 1.223 10 0 CDAERP CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001422063233 911613445 /nfs/dbraw/zinc/61/34/45/911613445.db2.gz RGXYTWNEAAMDTR-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP Cc1ccccc1C[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001493794749 915778296 /nfs/dbraw/zinc/77/82/96/915778296.db2.gz ZWTWZFBUTWUGQN-INIZCTEOSA-N 2 0 289.423 1.495 10 0 CDAERP CCC[NH2+][C@]1(CO)CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001484857564 916208110 /nfs/dbraw/zinc/20/81/10/916208110.db2.gz VGQVHCXXJOMSNF-MRXNPFEDSA-N 2 0 299.459 1.071 10 0 CDAERP CCCC[NH2+][C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001484905415 916258026 /nfs/dbraw/zinc/25/80/26/916258026.db2.gz UTDFNSQXFOWAAM-CVEARBPZSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@@H](CCNC(=O)CC1CC[NH+](C)CC1)[NH2+]CCCF ZINC001484999842 916363330 /nfs/dbraw/zinc/36/33/30/916363330.db2.gz RCNBLASGMAKTEI-ZDUSSCGKSA-N 2 0 287.423 1.562 10 0 CDAERP C[NH+](C)CCC(=O)N1CCCC[C@H]1C[NH2+]C/C=C/Cl ZINC001485039614 916417095 /nfs/dbraw/zinc/41/70/95/916417095.db2.gz PLTWNALPKWPNAT-LJLILKBBSA-N 2 0 287.835 1.661 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001485069017 916453607 /nfs/dbraw/zinc/45/36/07/916453607.db2.gz KRJUBESITZJRIS-ZDUSSCGKSA-N 2 0 255.406 1.271 10 0 CDAERP C[C@@H]([NH2+]CCc1ccns1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001485191208 916650205 /nfs/dbraw/zinc/65/02/05/916650205.db2.gz UEWRHBRMIPHWJA-NEPJUHHUSA-N 2 0 298.456 1.120 10 0 CDAERP C[C@@H]([NH2+]CCF)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001485231214 916685928 /nfs/dbraw/zinc/68/59/28/916685928.db2.gz ZVEWNQMPEIGMQA-OLZOCXBDSA-N 2 0 273.396 1.315 10 0 CDAERP CN(CC(C)(C)C[NH2+]CCF)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001485251661 916696093 /nfs/dbraw/zinc/69/60/93/916696093.db2.gz KEJFYRKCRNAOIM-AWEZNQCLSA-N 2 0 299.434 1.372 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)N(C)CCF)C1 ZINC001485341679 916855159 /nfs/dbraw/zinc/85/51/59/916855159.db2.gz KQIINARXHVBMBL-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001485643766 917156872 /nfs/dbraw/zinc/15/68/72/917156872.db2.gz MAFJGAOHDHQJIH-HUUCEWRRSA-N 2 0 297.443 1.110 10 0 CDAERP CCCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001485833778 919856385 /nfs/dbraw/zinc/85/63/85/919856385.db2.gz MKDJNPJRZFYOPP-HOCLYGCPSA-N 2 0 295.471 1.955 10 0 CDAERP CO[C@H]1C[C@@H](C[NH+]2CCC(OCCC[NH3+])CC2)C1 ZINC000721940976 920340889 /nfs/dbraw/zinc/34/08/89/920340889.db2.gz DFQPLKLQPZEYHU-XBXGTLAGSA-N 2 0 256.390 1.241 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001568291332 1169227805 /nfs/dbraw/zinc/22/78/05/1169227805.db2.gz HYKLQSWZSXEUMA-ZIAGYGMSSA-N 2 0 269.433 1.563 10 0 CDAERP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1cncs1 ZINC001485920000 920576730 /nfs/dbraw/zinc/57/67/30/920576730.db2.gz PMIIACUIGWGDDG-LLVKDONJSA-N 2 0 284.429 1.031 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC(C)C)C(C)(C)C1 ZINC001486246606 920840133 /nfs/dbraw/zinc/84/01/33/920840133.db2.gz ODRQOIHVXABADI-AWEZNQCLSA-N 2 0 283.460 1.811 10 0 CDAERP CC(C)N(CC[N@H+](C)CCO)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001486369578 920952796 /nfs/dbraw/zinc/95/27/96/920952796.db2.gz KMUYDSLBOAJHDW-OAHLLOKOSA-N 2 0 299.459 1.020 10 0 CDAERP Cn1nc(CN2CCC[C@H](CC[NH3+])C2)cc1Cl ZINC000706142374 923035695 /nfs/dbraw/zinc/03/56/95/923035695.db2.gz MGSVHTYCJYVBEG-SNVBAGLBSA-N 2 0 256.781 1.634 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711350240 923510005 /nfs/dbraw/zinc/51/00/05/923510005.db2.gz HZBKPRZZMZWQCM-GFCCVEGCSA-N 2 0 255.406 1.032 10 0 CDAERP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@H+](C1CC1)C1CCCC1 ZINC000923303769 923726488 /nfs/dbraw/zinc/72/64/88/923726488.db2.gz KPRHMKLFILKJDL-AWEZNQCLSA-N 2 0 250.386 1.772 10 0 CDAERP CCSCC[C@H](C)[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923315229 923735256 /nfs/dbraw/zinc/73/52/56/923735256.db2.gz SDNORWSCZUGFMR-QWHCGFSZSA-N 2 0 272.458 1.828 10 0 CDAERP CN(CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H](C[NH3+])C(F)(F)F ZINC000923396512 923805337 /nfs/dbraw/zinc/80/53/37/923805337.db2.gz DETFHFNCVDUPQD-YATPEIPISA-N 2 0 279.350 1.729 10 0 CDAERP CCOCC[C@H](O)C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000923413740 923818161 /nfs/dbraw/zinc/81/81/61/923818161.db2.gz HPKISDCFSKVTMR-ZFWWWQNUSA-N 2 0 272.433 1.471 10 0 CDAERP Cc1csc([C@@H]2CC[N@@H+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)C2)n1 ZINC000923421965 923820837 /nfs/dbraw/zinc/82/08/37/923820837.db2.gz TXUGXCSEUBYKEY-RHYQMDGZSA-N 2 0 267.398 1.091 10 0 CDAERP C[C@@H]1CC[C@@H](C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)O1 ZINC000923443587 923831311 /nfs/dbraw/zinc/83/13/11/923831311.db2.gz GCKHERYTGDVTNL-HZSPNIEDSA-N 2 0 268.401 1.384 10 0 CDAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CCCOC(F)(F)F)CC2 ZINC000923444089 923832669 /nfs/dbraw/zinc/83/26/69/923832669.db2.gz GULZCJQUEXIJJE-NSHDSACASA-N 2 0 296.333 1.743 10 0 CDAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CCc1cccnc1)CC2 ZINC000923451455 923845617 /nfs/dbraw/zinc/84/56/17/923845617.db2.gz NXXVQAJHLACKBD-HNNXBMFYSA-N 2 0 275.396 1.454 10 0 CDAERP C(C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)OC1CC1 ZINC000711785104 923854006 /nfs/dbraw/zinc/85/40/06/923854006.db2.gz GVMKQDSGNZSDBD-AWEZNQCLSA-N 2 0 252.402 1.877 10 0 CDAERP C[C@@H]1C[N@H+](Cc2noc3c2CCCC3)CC[C@@H]1C[NH3+] ZINC000923496932 923883175 /nfs/dbraw/zinc/88/31/75/923883175.db2.gz KJVQPTIFFIYSBY-VXGBXAGGSA-N 2 0 263.385 1.970 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN1C[C@@H](CC[NH3+])c2ccccc21 ZINC000923552987 923924360 /nfs/dbraw/zinc/92/43/60/923924360.db2.gz GUTXUYLJHYOWQF-MCIONIFRSA-N 2 0 259.397 1.795 10 0 CDAERP CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@H]2C1 ZINC001410175092 925347830 /nfs/dbraw/zinc/34/78/30/925347830.db2.gz DKMURRIOIQPEJY-HRCADAONSA-N 2 0 295.471 1.955 10 0 CDAERP [NH3+]C/C=C\CNC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000841855005 937018825 /nfs/dbraw/zinc/01/88/25/937018825.db2.gz IYSJGJWMRFNTQR-IHWYPQMZSA-N 2 0 294.443 1.598 10 0 CDAERP CC[NH2+]CCNC(=O)C[C@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000841846365 937017697 /nfs/dbraw/zinc/01/76/97/937017697.db2.gz IVKMSXJMDGKDIB-NSHDSACASA-N 2 0 284.791 1.159 10 0 CDAERP COCC[NH+]1CCC(NC(=O)C2([NH+](C)C)CCCC2)CC1 ZINC001433624296 925763816 /nfs/dbraw/zinc/76/38/16/925763816.db2.gz AFKXDSNNCAYEAJ-UHFFFAOYSA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@H](C(=O)N1CCO[C@@H](C[NH2+]CCC(C)C)C1)[NH+](C)C ZINC001273342870 926120120 /nfs/dbraw/zinc/12/01/20/926120120.db2.gz QLUYRXGRJKHWBL-LSDHHAIUSA-N 2 0 299.459 1.190 10 0 CDAERP CC[NH+](CC)CC[C@@H](CO)NC[C@H](O)c1ccccc1 ZINC000843104605 937112944 /nfs/dbraw/zinc/11/29/44/937112944.db2.gz PGBXIQAXVPFFRO-HOTGVXAUSA-N 2 0 280.412 1.402 10 0 CDAERP CCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001489287343 926853313 /nfs/dbraw/zinc/85/33/13/926853313.db2.gz SLEWYLIKRFZNFQ-OLZOCXBDSA-N 2 0 255.406 1.317 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001490222871 927035246 /nfs/dbraw/zinc/03/52/46/927035246.db2.gz SJIYRIZRINOALJ-UHFFFAOYSA-N 2 0 281.444 1.709 10 0 CDAERP CC[C@@H](F)C[N@H+](C)CCCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001490250438 927057294 /nfs/dbraw/zinc/05/72/94/927057294.db2.gz LASVYGHIJSFUIE-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP CC[C@@H](F)C[N@H+](C)CCCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001490250439 927058042 /nfs/dbraw/zinc/05/80/42/927058042.db2.gz LASVYGHIJSFUIE-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]CCCF ZINC001279181297 927094744 /nfs/dbraw/zinc/09/47/44/927094744.db2.gz DTOQBOUIOOZWNV-UONOGXRCSA-N 2 0 297.418 1.126 10 0 CDAERP COc1cncc(C[NH2+]CCCC[NH+]2CCOCC2)c1 ZINC000850031128 927358136 /nfs/dbraw/zinc/35/81/36/927358136.db2.gz AQOHSEZQKDHNKY-UHFFFAOYSA-N 2 0 279.384 1.292 10 0 CDAERP CCN(C(=O)CC[NH2+]C(C)(C)C)[C@@H]1CC[N@H+](C)C1 ZINC000693428160 937244600 /nfs/dbraw/zinc/24/46/00/937244600.db2.gz CJCYHVVBSHJKAA-GFCCVEGCSA-N 2 0 255.406 1.317 10 0 CDAERP CCC1(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)COC1 ZINC000693773315 937251641 /nfs/dbraw/zinc/25/16/41/937251641.db2.gz NDIIVJQKJUMEDI-FRRDWIJNSA-N 2 0 252.402 1.779 10 0 CDAERP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCCc3cn[nH]c32)CC1 ZINC000857856098 928759764 /nfs/dbraw/zinc/75/97/64/928759764.db2.gz FMXJKNWBEJGNJF-OAHLLOKOSA-N 2 0 291.443 1.403 10 0 CDAERP C[N@@H+]1CC[C@H](NC[C@@H]2C[NH+]3CCC[C@H]3CO2)CC1(C)C ZINC000858126854 928807200 /nfs/dbraw/zinc/80/72/00/928807200.db2.gz LKJAHAFGXUAPGR-SOUVJXGZSA-N 2 0 281.444 1.312 10 0 CDAERP CN(CCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)CC[NH+](C)C ZINC000858196771 928818047 /nfs/dbraw/zinc/81/80/47/928818047.db2.gz XYSQLFGYSWFSHU-HNNXBMFYSA-N 3 0 284.492 1.332 10 0 CDAERP C[C@](O)(C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)C(F)(F)F ZINC000698593094 937295815 /nfs/dbraw/zinc/29/58/15/937295815.db2.gz UDHBROHBGGTSRR-HLTSFMKQSA-N 2 0 252.280 1.159 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CNC(=S)NNc1cc[nH+]cc1C ZINC000863206073 929519511 /nfs/dbraw/zinc/51/95/11/929519511.db2.gz UCCNAPIHQXZVRU-LBPRGKRZSA-N 2 0 293.440 1.087 10 0 CDAERP OCCCCCC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000863575896 929574177 /nfs/dbraw/zinc/57/41/77/929574177.db2.gz SHMOUPAATIEHQK-MRXNPFEDSA-N 2 0 284.444 1.630 10 0 CDAERP CC(C)=CC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)CC[C@@H]21 ZINC001568515285 1169341289 /nfs/dbraw/zinc/34/12/89/1169341289.db2.gz IYMMPMOCDAGESC-CVEARBPZSA-N 2 0 293.455 1.827 10 0 CDAERP C[N@@H+]1C[C@H]2CCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC000816955076 930398705 /nfs/dbraw/zinc/39/87/05/930398705.db2.gz SOBKKGUUMUMAOW-HUUCEWRRSA-N 2 0 279.428 1.415 10 0 CDAERP OC1(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)CCCCC1 ZINC000819084544 930754875 /nfs/dbraw/zinc/75/48/75/930754875.db2.gz MNSFGEGQNNOPEK-OAHLLOKOSA-N 2 0 296.455 1.772 10 0 CDAERP CC[C@H](C)C[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001274133687 931188850 /nfs/dbraw/zinc/18/88/50/931188850.db2.gz MROQDVAYGPBRLS-NHQLZKDQSA-N 2 0 281.444 1.779 10 0 CDAERP CCCCC[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001274250478 931484800 /nfs/dbraw/zinc/48/48/00/931484800.db2.gz HIOLOUZIGMHKAT-ZBFHGGJFSA-N 2 0 295.471 1.955 10 0 CDAERP CC[NH2+][C@@H](C)CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001274731835 931562053 /nfs/dbraw/zinc/56/20/53/931562053.db2.gz IXGOWEXVLOORQB-QWHCGFSZSA-N 2 0 255.406 1.365 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)CC2CC([NH3+])C2)C1 ZINC000718049255 931578013 /nfs/dbraw/zinc/57/80/13/931578013.db2.gz CZFHLFTWTFWOIL-WXRRBKDZSA-N 2 0 253.390 1.057 10 0 CDAERP CC[NH2+][C@H](C)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001275434025 931789226 /nfs/dbraw/zinc/78/92/26/931789226.db2.gz QWTMPOOFEWXYJC-NEPJUHHUSA-N 2 0 253.390 1.118 10 0 CDAERP CC(C)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001275468353 931813193 /nfs/dbraw/zinc/81/31/93/931813193.db2.gz ALQJOSCLTDSRRS-QWHCGFSZSA-N 2 0 257.422 1.467 10 0 CDAERP CC[NH2+][C@@H](C)[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001275525949 931856004 /nfs/dbraw/zinc/85/60/04/931856004.db2.gz BRWYFTPKSTUXOC-STQMWFEESA-N 2 0 255.406 1.221 10 0 CDAERP CCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001275592994 931899762 /nfs/dbraw/zinc/89/97/62/931899762.db2.gz WMBJTYYJEFVWJM-OLZOCXBDSA-N 2 0 255.406 1.317 10 0 CDAERP CNC(=O)c1ccc(C[N@H+](C)CCCCCC[NH3+])cc1 ZINC000846217132 931995230 /nfs/dbraw/zinc/99/52/30/931995230.db2.gz AGVGVVISSVOIGU-UHFFFAOYSA-N 2 0 277.412 1.997 10 0 CDAERP CC[N@@H+]1CC[C@H]1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001411819285 932049164 /nfs/dbraw/zinc/04/91/64/932049164.db2.gz ZRWMAPPWAMTPRE-GJZGRUSLSA-N 2 0 279.428 1.415 10 0 CDAERP [NH3+]CCc1ccc(CNC(=O)c2ccccc2CC[NH3+])cc1 ZINC000846665396 932103952 /nfs/dbraw/zinc/10/39/52/932103952.db2.gz GBJFCMGVZSSWJD-UHFFFAOYSA-N 2 0 297.402 1.619 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]CC1CC1 ZINC001276002008 932220693 /nfs/dbraw/zinc/22/06/93/932220693.db2.gz NPFYHABJHGNYKN-OAHLLOKOSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]([NH+](C)C)C23CCC3)C1 ZINC001412389654 932404888 /nfs/dbraw/zinc/40/48/88/932404888.db2.gz AXBPOLICJGCNNZ-RDBSUJKOSA-N 2 0 279.428 1.317 10 0 CDAERP C[C@@H]1C[C@H]2CC[C@H](C(=O)N(C)CCCC[NH+](C)C)C[N@@H+]2C1 ZINC001147594185 932550407 /nfs/dbraw/zinc/55/04/07/932550407.db2.gz URWYKSCXAJTBLO-OWCLPIDISA-N 2 0 295.471 1.907 10 0 CDAERP C[C@@H](F)CC[NH2+]CCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001276226733 932662448 /nfs/dbraw/zinc/66/24/48/932662448.db2.gz IUCWTGRSVKYUQU-UONOGXRCSA-N 2 0 287.423 1.514 10 0 CDAERP CCCC[NH2+]CCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001276227456 932663097 /nfs/dbraw/zinc/66/30/97/932663097.db2.gz SXPNJJMRNTXAFS-AWEZNQCLSA-N 2 0 269.433 1.566 10 0 CDAERP CCC[N@H+](C)CC(=O)NC1(C[NH2+]CCF)CCCCC1 ZINC001276236909 932673309 /nfs/dbraw/zinc/67/33/09/932673309.db2.gz AVVBRCBSNNGTGM-UHFFFAOYSA-N 2 0 287.423 1.706 10 0 CDAERP C[NH+]1CCC(C)(CNC(=O)CC[N@@H+]2CC[C@H](F)C2)CC1 ZINC001412729367 932678423 /nfs/dbraw/zinc/67/84/23/932678423.db2.gz OCSUBWHKLWQZGV-ZDUSSCGKSA-N 2 0 285.407 1.268 10 0 CDAERP CC(C)C(=O)NCC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925507985 932895579 /nfs/dbraw/zinc/89/55/79/932895579.db2.gz DUXAMZNVBVLALH-GJZGRUSLSA-N 2 0 281.444 1.517 10 0 CDAERP C[NH+](C)[C@]1(CN[C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCSC1 ZINC000925531924 932899917 /nfs/dbraw/zinc/89/99/17/932899917.db2.gz SMTRKFCIAKYNTM-HOSILWTGSA-N 2 0 297.512 1.790 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H](NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000925536205 932900539 /nfs/dbraw/zinc/90/05/39/932900539.db2.gz CJMCGKHXSSGUSS-MGPQQGTHSA-N 2 0 265.445 1.966 10 0 CDAERP [NH3+][C@H]1C[C@H]([NH2+]CCCOCC(F)(F)F)C12CCC2 ZINC000925536569 932900871 /nfs/dbraw/zinc/90/08/71/932900871.db2.gz GGMCVNGXWRBVBL-UWVGGRQHSA-N 2 0 266.307 1.815 10 0 CDAERP CC(C)(C)NC(=O)CC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925594742 932911828 /nfs/dbraw/zinc/91/18/28/932911828.db2.gz RAPJOUSCCHOIOV-VXGBXAGGSA-N 2 0 269.433 1.787 10 0 CDAERP O[C@H](C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)COCC1CC1 ZINC000925616674 932915164 /nfs/dbraw/zinc/91/51/64/932915164.db2.gz NBNHQEREEWKNEX-IKGGRYGDSA-N 2 0 296.455 1.532 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CC2(S(C)(=O)=O)CCC2)C1 ZINC000925661313 932923100 /nfs/dbraw/zinc/92/31/00/932923100.db2.gz DALCVAIKLIVYFP-RYUDHWBXSA-N 2 0 288.457 1.449 10 0 CDAERP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCCC(F)(F)[C@H]2O)C12CCC2 ZINC000925688471 932927757 /nfs/dbraw/zinc/92/77/57/932927757.db2.gz FQBBKCKFHMUZLH-DBIOUOCHSA-N 2 0 260.328 1.395 10 0 CDAERP c1ccc([C@H]2CC[NH2+]C[C@H]2N[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)cc1 ZINC000925708649 932930107 /nfs/dbraw/zinc/93/01/07/932930107.db2.gz CYQJALKJUIJQAG-RRGAYKJSSA-N 2 0 297.446 1.718 10 0 CDAERP COC[C@H](CC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)OC ZINC000925714857 932931696 /nfs/dbraw/zinc/93/16/96/932931696.db2.gz YBSZWEJLYQSETC-UPJWGTAASA-N 2 0 258.406 1.534 10 0 CDAERP COc1ccc([C@@H](C)[NH2+]CCN2CCC([NH3+])CC2)cc1F ZINC000925809012 932940215 /nfs/dbraw/zinc/94/02/15/932940215.db2.gz GUFNIHBHLJKOKT-GFCCVEGCSA-N 2 0 295.402 1.908 10 0 CDAERP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1cccc(O)c1 ZINC000925810910 932940398 /nfs/dbraw/zinc/94/03/98/932940398.db2.gz BYYYTUBNXXZGAV-LBPRGKRZSA-N 2 0 263.385 1.466 10 0 CDAERP CCOC[C@@H](C)[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925807587 932940487 /nfs/dbraw/zinc/94/04/87/932940487.db2.gz FOTBBXQTHKXISC-OAHLLOKOSA-N 2 0 291.439 1.606 10 0 CDAERP CN1C[C@H](CC[NH2+][C@H]2CC[NH2+]C23CCCC3)CC1=O ZINC000925814210 932941911 /nfs/dbraw/zinc/94/19/11/932941911.db2.gz YSCBIEXZCSPNDC-OLZOCXBDSA-N 2 0 265.401 1.119 10 0 CDAERP CC1([NH+]2CCC2)CCC([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000925860649 932946629 /nfs/dbraw/zinc/94/66/29/932946629.db2.gz IZHWUWAKRVDHFK-GAUCYTDHSA-N 3 0 289.467 1.979 10 0 CDAERP CCc1noc([C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@H]3C[NH3+])C2)n1 ZINC000925872876 932948581 /nfs/dbraw/zinc/94/85/81/932948581.db2.gz KQKRBLATPYEHCL-MROQNXINSA-N 2 0 278.400 1.985 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCN(CC(F)F)C1 ZINC000926604374 933004518 /nfs/dbraw/zinc/00/45/18/933004518.db2.gz ZYLCUCAGPPZLQP-JACPFSORSA-N 2 0 273.371 1.256 10 0 CDAERP c1cc(N2CC[NH+](C[C@@H]3C[C@@H]4COC[C@H]4O3)CC2)cc[nH+]1 ZINC000929834846 933275671 /nfs/dbraw/zinc/27/56/71/933275671.db2.gz LMPTXVMGAUDPHZ-VNQPRFMTSA-N 2 0 289.379 1.008 10 0 CDAERP C[NH+](C)Cc1ccc(C[N@H+](C)CCO[C@H]2CCOC2)cc1 ZINC000930117105 933320808 /nfs/dbraw/zinc/32/08/08/933320808.db2.gz GFYYTQDLIVLTHR-KRWDZBQOSA-N 2 0 292.423 1.986 10 0 CDAERP CO[C@@H](C[NH+]1CCC(O)(C[NH+](C)C)CC1)C1CCC1 ZINC000931479784 933570938 /nfs/dbraw/zinc/57/09/38/933570938.db2.gz BMQOWGFQKLHIFN-AWEZNQCLSA-N 2 0 270.417 1.190 10 0 CDAERP CC(C)CC[NH+]1CCC(CNC(=[NH2+])NC2CC2)CC1 ZINC000079382869 934634373 /nfs/dbraw/zinc/63/43/73/934634373.db2.gz XGAJBZFLWRNNPW-UHFFFAOYSA-N 2 0 266.433 1.811 10 0 CDAERP C([C@H]1C[C@H]2CCC[C@H]2O1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000720883704 935264973 /nfs/dbraw/zinc/26/49/73/935264973.db2.gz YFUUNSMJVSCCNI-KBUPBQIOSA-N 2 0 250.386 1.629 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1cscn1)[NH+](C)C ZINC001568677746 1169426942 /nfs/dbraw/zinc/42/69/42/1169426942.db2.gz GAVTYWBBQQQOQK-YPMHNXCESA-N 2 0 298.456 1.468 10 0 CDAERP CC/C=C/CC[NH+]1CC([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001276460089 939756255 /nfs/dbraw/zinc/75/62/55/939756255.db2.gz IMTGSFTWHVCOTL-RGDDUWESSA-N 2 0 293.455 1.875 10 0 CDAERP CCOCC[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001329589829 940464325 /nfs/dbraw/zinc/46/43/25/940464325.db2.gz SUGNPBVRPMTQQY-HNNXBMFYSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@@H](C[NH2+]CCCF)C2CC2)CC[N@@H+]1C ZINC001276643919 940590746 /nfs/dbraw/zinc/59/07/46/940590746.db2.gz XYGPOBIOHVZJGG-QEJZJMRPSA-N 2 0 299.434 1.561 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]C/C=C/Cl)C1CC1 ZINC001276649053 940599501 /nfs/dbraw/zinc/59/95/01/940599501.db2.gz WIFWBDHUQVBYOY-QBODLPLBSA-N 2 0 273.808 1.175 10 0 CDAERP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)C1CC[NH2+]CC1 ZINC000400639281 940853295 /nfs/dbraw/zinc/85/32/95/940853295.db2.gz NQMVADJENDDFFW-OLZOCXBDSA-N 3 0 253.434 1.694 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001362034751 970799641 /nfs/dbraw/zinc/79/96/41/970799641.db2.gz CTBQCXRTBPXDTL-MRXNPFEDSA-N 2 0 295.471 1.907 10 0 CDAERP CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]C/C=C\Cl)C1)[NH+](C)C ZINC001277074658 941916322 /nfs/dbraw/zinc/91/63/22/941916322.db2.gz LYJUJNDBEAAJJN-QUFGHOJKSA-N 2 0 287.835 1.564 10 0 CDAERP C[N@H+](C[C@@H](O)CN1CCCC[C@]12CCOC2)C1CC1 ZINC001473895305 970886659 /nfs/dbraw/zinc/88/66/59/970886659.db2.gz GLICBUBAGDDOLZ-HUUCEWRRSA-N 2 0 268.401 1.087 10 0 CDAERP CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001280459836 942447313 /nfs/dbraw/zinc/44/73/13/942447313.db2.gz LOWCOUNCGDTVED-UONOGXRCSA-N 2 0 267.417 1.319 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]CCC2CC2)CN1C(=O)CC[NH+](C)C ZINC001284001618 943046606 /nfs/dbraw/zinc/04/66/06/943046606.db2.gz CDQVSCPLVMELRY-GXTWGEPZSA-N 2 0 267.417 1.317 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH+]2CC[C@H](C)C2)C1 ZINC001362171543 970974441 /nfs/dbraw/zinc/97/44/41/970974441.db2.gz GNBLHRDOEJBPLL-LSDHHAIUSA-N 2 0 281.444 1.565 10 0 CDAERP CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001277825606 943717694 /nfs/dbraw/zinc/71/76/94/943717694.db2.gz FCQHFXHVWUPLAG-JHJVBQTASA-N 2 0 255.406 1.173 10 0 CDAERP C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1)[NH2+]CCCF ZINC001277854386 943827406 /nfs/dbraw/zinc/82/74/06/943827406.db2.gz MFWSXJPWRGKOBB-IJLUTSLNSA-N 2 0 282.363 1.309 10 0 CDAERP COCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001277883932 943943114 /nfs/dbraw/zinc/94/31/14/943943114.db2.gz SXKVMXQJUWAKGY-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CN(C[C@H]1CC[N@@H+]1CCC1CC1)C(=O)CC[NH+](C)C ZINC001263810386 943983669 /nfs/dbraw/zinc/98/36/69/943983669.db2.gz WUKSTCMAHRTAJH-CQSZACIVSA-N 2 0 267.417 1.271 10 0 CDAERP CCOCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001265090235 944225277 /nfs/dbraw/zinc/22/52/77/944225277.db2.gz YCNKJTAQTCCXEJ-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP CC(C)C[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001265380215 944366287 /nfs/dbraw/zinc/36/62/87/944366287.db2.gz KLJFUEQSVQZUCG-KBPBESRZSA-N 2 0 267.417 1.079 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCCCCF)C1 ZINC001265436243 944387772 /nfs/dbraw/zinc/38/77/72/944387772.db2.gz CKNRBKXTYZSBOK-LSDHHAIUSA-N 2 0 299.434 1.801 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001265482995 944404418 /nfs/dbraw/zinc/40/44/18/944404418.db2.gz FXEUJBVIALILRH-RBSFLKMASA-N 2 0 281.444 1.898 10 0 CDAERP O=C(N[C@H]1C[C@@H]([NH2+]CCCCCF)C1)C12CC[NH+](CC1)C2 ZINC001265566315 944432045 /nfs/dbraw/zinc/43/20/45/944432045.db2.gz DHHVLMHMYAVCOJ-OKILXGFUSA-N 2 0 297.418 1.459 10 0 CDAERP CCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001265572213 944433734 /nfs/dbraw/zinc/43/37/34/944433734.db2.gz AUTGTJQXPOLKKI-ZNMIVQPWSA-N 2 0 297.443 1.134 10 0 CDAERP COC[C@@H](C)[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001265844987 944537775 /nfs/dbraw/zinc/53/77/75/944537775.db2.gz ABFHVRYMNOCDPQ-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]2C[NH2+]CCC(C)(C)C)C1 ZINC001277997103 944540727 /nfs/dbraw/zinc/54/07/27/944540727.db2.gz IASNOSJAJITNMI-CABCVRRESA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001266094457 944677725 /nfs/dbraw/zinc/67/77/25/944677725.db2.gz UWCUCNKUFMSDJW-HOTGVXAUSA-N 2 0 293.455 1.970 10 0 CDAERP C[C@H](O)C[N@H+](C)[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001266116688 944689558 /nfs/dbraw/zinc/68/95/58/944689558.db2.gz LYLRUESGEXWPMF-LSDHHAIUSA-N 2 0 299.459 1.022 10 0 CDAERP CC(C)=CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001279204454 944784071 /nfs/dbraw/zinc/78/40/71/944784071.db2.gz MYMWMRVZKWFMFQ-HOTGVXAUSA-N 2 0 295.471 1.977 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2CCC[N@H+](CCF)[C@@H]2C1(C)C ZINC001479613649 971346563 /nfs/dbraw/zinc/34/65/63/971346563.db2.gz NPKSUYGUQRZMPZ-YUELXQCFSA-N 2 0 299.434 1.513 10 0 CDAERP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](C/C=C/Cl)CC[C@@H]2C1 ZINC001479670607 971361669 /nfs/dbraw/zinc/36/16/69/971361669.db2.gz YSQAQMRIARNJJM-IVDJAJHCSA-N 2 0 299.846 1.471 10 0 CDAERP CC(C)[C@@H](C(=O)NC/C=C\C[NH2+]CCF)[NH+]1CCCCC1 ZINC001568971722 1169567349 /nfs/dbraw/zinc/56/73/49/1169567349.db2.gz OOZQSULROZPMGF-XVWMLYKFSA-N 2 0 299.434 1.728 10 0 CDAERP CC[N@H+](C)CCCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001479796834 971424432 /nfs/dbraw/zinc/42/44/32/971424432.db2.gz NEOWMRDRVYMQFY-UHFFFAOYSA-N 2 0 291.439 1.862 10 0 CDAERP CCCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001569013570 1169595831 /nfs/dbraw/zinc/59/58/31/1169595831.db2.gz SASMXBGXVDTLOF-OLZOCXBDSA-N 2 0 255.406 1.365 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1C ZINC001278522289 949711965 /nfs/dbraw/zinc/71/19/65/949711965.db2.gz WCNMHEMDNPHXNK-UONOGXRCSA-N 2 0 269.433 1.563 10 0 CDAERP CC/C=C/CC[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001480157442 971607223 /nfs/dbraw/zinc/60/72/23/971607223.db2.gz VNNHEPPCQJKFEX-CMHIOQGKSA-N 2 0 293.455 1.921 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001480167855 971610970 /nfs/dbraw/zinc/61/09/70/971610970.db2.gz QAPALBNHYMKTMS-XGUBFFRZSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@@H](C[NH2+]CCC1CC1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001569058521 1169622736 /nfs/dbraw/zinc/62/27/36/1169622736.db2.gz HUUZFFMYCRPYBC-SWLSCSKDSA-N 2 0 279.428 1.223 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001480232195 971640135 /nfs/dbraw/zinc/64/01/35/971640135.db2.gz KQARSNAXCRQOLO-SYQHCUMBSA-N 2 0 285.407 1.313 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccsc2)C1 ZINC001480231979 971640641 /nfs/dbraw/zinc/64/06/41/971640641.db2.gz KALQMCXPKLAATM-OKILXGFUSA-N 2 0 295.452 1.827 10 0 CDAERP COCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001480350829 971683127 /nfs/dbraw/zinc/68/31/27/971683127.db2.gz CQQNPCRQLDIWQI-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@H](NC(=O)CC[NH+](C)C)[C@@H]1CCC[N@H+](CCF)C1 ZINC001480384638 971695911 /nfs/dbraw/zinc/69/59/11/971695911.db2.gz XDKHOTRJVKYADQ-QWHCGFSZSA-N 2 0 273.396 1.124 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]CCOC(C)C)CC[N@@H+]1C ZINC001480464295 971742722 /nfs/dbraw/zinc/74/27/22/971742722.db2.gz RHPSSJBFWTUGCB-QLFBSQMISA-N 2 0 299.459 1.236 10 0 CDAERP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1cccnc1 ZINC001480537064 971773615 /nfs/dbraw/zinc/77/36/15/971773615.db2.gz MKRWXNHXTUCSDO-UONOGXRCSA-N 2 0 290.411 1.018 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC1CCCC1 ZINC001480590559 971796257 /nfs/dbraw/zinc/79/62/57/971796257.db2.gz OLOPGJBUTJMMIW-OCCSQVGLSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]CC[C@@H]1CCCCO1 ZINC001480595760 971800394 /nfs/dbraw/zinc/80/03/94/971800394.db2.gz DERJDFQOVAEQCA-GJZGRUSLSA-N 2 0 299.459 1.380 10 0 CDAERP C[C@@H](F)CC[NH2+]C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001480660017 971827885 /nfs/dbraw/zinc/82/78/85/971827885.db2.gz BZTPYWIHBUDKJL-ZIAGYGMSSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C1CCCC1 ZINC001324497307 953414868 /nfs/dbraw/zinc/41/48/68/953414868.db2.gz IZMLKCXGQFRDAV-AWEZNQCLSA-N 2 0 269.433 1.611 10 0 CDAERP CC[N@H+](CCNC(=O)C[NH+](C)C(C)C)C[C@H]1CC[C@@H](C)O1 ZINC001493061500 971935226 /nfs/dbraw/zinc/93/52/26/971935226.db2.gz DZLUKFQZBARXDJ-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP CCC[NH2+]C[C@@]1(C)CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001324818276 953589285 /nfs/dbraw/zinc/58/92/85/953589285.db2.gz VBVWXYOMFVIDTL-MRXNPFEDSA-N 2 0 283.460 1.957 10 0 CDAERP C[C@H](CN1CCOCC1)C[N@@H+]1C[C@@H](N2CCCC2)C[C@H]1C ZINC001363864178 953936249 /nfs/dbraw/zinc/93/62/49/953936249.db2.gz GUVDHRCDCKLVKY-ZACQAIPSSA-N 2 0 295.471 1.513 10 0 CDAERP CCC[NH2+]CC[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001326352041 954332868 /nfs/dbraw/zinc/33/28/68/954332868.db2.gz KSVJRPAWHVHFGO-ZDUSSCGKSA-N 2 0 255.406 1.176 10 0 CDAERP CC(C)C[NH2+]CC[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001326411463 954367377 /nfs/dbraw/zinc/36/73/77/954367377.db2.gz LMNSCTNJWWZBPC-HOTGVXAUSA-N 2 0 295.471 1.812 10 0 CDAERP CCCC[C@@H](CC)C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC001364446359 954623976 /nfs/dbraw/zinc/62/39/76/954623976.db2.gz XFZJJYNMIDAJJR-OAHLLOKOSA-N 2 0 283.460 1.909 10 0 CDAERP CC(C)C[C@H]([NH3+])C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001327004964 954656067 /nfs/dbraw/zinc/65/60/67/954656067.db2.gz OZYCRGYJVQRXRF-AWEZNQCLSA-N 3 0 253.434 1.825 10 0 CDAERP CC(C)[C@@H](C(=O)N1CC[C@H](C[NH2+]CCC2CC2)C1)[NH+](C)C ZINC001480647916 955038883 /nfs/dbraw/zinc/03/88/83/955038883.db2.gz GAPNIIDPFPCXQK-CVEARBPZSA-N 2 0 295.471 1.811 10 0 CDAERP C[N@@H+]1C[C@]23C[NH+](CC4(O)CCOCC4)C[C@@]2(C1)CCCC3 ZINC001364835530 955214591 /nfs/dbraw/zinc/21/45/91/955214591.db2.gz GTCMHPQLFLHCSW-IYBDPMFKSA-N 2 0 294.439 1.336 10 0 CDAERP CC[C@H](F)C[NH2+][C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001491603432 955348834 /nfs/dbraw/zinc/34/88/34/955348834.db2.gz TWEOYNBAAMWDNE-OCCSQVGLSA-N 2 0 287.423 1.561 10 0 CDAERP CC(C)C[C@H](C)C[NH2+][C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001491675402 955384109 /nfs/dbraw/zinc/38/41/09/955384109.db2.gz TVSPMYMIPCSDBG-LSDHHAIUSA-N 2 0 283.460 1.859 10 0 CDAERP C[NH+](C)CCC(=O)NCC1([NH2+]C/C=C/Cl)CCCC1 ZINC001421842015 955586804 /nfs/dbraw/zinc/58/68/04/955586804.db2.gz SWPNKFZUYXKYIJ-WEVVVXLNSA-N 2 0 287.835 1.709 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001422232938 955869713 /nfs/dbraw/zinc/86/97/13/955869713.db2.gz GIBHXWYEYWIHBR-ZDUSSCGKSA-N 2 0 273.396 1.221 10 0 CDAERP CO[C@@H]1CC[C@@H]([NH+]2CCC([NH2+]C3CCOCC3)CC2)C1 ZINC001365328189 955902001 /nfs/dbraw/zinc/90/20/01/955902001.db2.gz CGHNAALGMPLZSV-HZPDHXFCSA-N 2 0 282.428 1.787 10 0 CDAERP CCCCC[N@H+](C)[C@@H](C)CNC(=O)Cc1c[nH]cn1 ZINC001329561026 955986274 /nfs/dbraw/zinc/98/62/74/955986274.db2.gz QNCAGVHJLWKCNP-LBPRGKRZSA-N 2 0 266.389 1.579 10 0 CDAERP CC(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001422513364 956112332 /nfs/dbraw/zinc/11/23/32/956112332.db2.gz GAOHEWFMSYSNLU-LSDHHAIUSA-N 2 0 283.460 1.952 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@H]1CCCCC[N@@H+]1CC1CC1 ZINC001422720820 956289069 /nfs/dbraw/zinc/28/90/69/956289069.db2.gz QIHRPZRBSIDGOG-MRXNPFEDSA-N 2 0 293.455 1.853 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001494049050 972169030 /nfs/dbraw/zinc/16/90/30/972169030.db2.gz UMYTZAGLSMMIJB-LSDHHAIUSA-N 2 0 283.460 1.812 10 0 CDAERP C[C@@H](NC(=O)C[NH+]1CCCC1)C1C[NH+](CC[C@H](C)F)C1 ZINC001422761185 956315968 /nfs/dbraw/zinc/31/59/68/956315968.db2.gz MZYOTWADVUQRSJ-QWHCGFSZSA-N 2 0 285.407 1.267 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001365836867 956400184 /nfs/dbraw/zinc/40/01/84/956400184.db2.gz YMSSHIJRNFIPLJ-MGPQQGTHSA-N 2 0 299.434 1.703 10 0 CDAERP C[C@H](F)CC[NH2+][C@@H]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001365857043 956410665 /nfs/dbraw/zinc/41/06/65/956410665.db2.gz IEGGHAZDBLUBLW-MELADBBJSA-N 2 0 287.423 1.561 10 0 CDAERP CC[C@H](C)C[N@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001422945764 956465194 /nfs/dbraw/zinc/46/51/94/956465194.db2.gz HMYLHDMVOKMCLH-GJZGRUSLSA-N 2 0 295.471 1.907 10 0 CDAERP CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001423004757 956502678 /nfs/dbraw/zinc/50/26/78/956502678.db2.gz KUFCMIROKWRLKX-HOTGVXAUSA-N 2 0 293.455 1.898 10 0 CDAERP CC(C)C[NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001423044179 956535597 /nfs/dbraw/zinc/53/55/97/956535597.db2.gz VXRGHOICLGWSCP-AWEZNQCLSA-N 2 0 279.428 1.223 10 0 CDAERP CC[NH2+]C[C@H]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001330708138 956580983 /nfs/dbraw/zinc/58/09/83/956580983.db2.gz KFOGWEZHANGNSN-SHTZXODSSA-N 2 0 281.444 1.757 10 0 CDAERP CC[C@@H](F)C[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001366126912 956584538 /nfs/dbraw/zinc/58/45/38/956584538.db2.gz YFADZKLOSVPDBY-MGPQQGTHSA-N 2 0 285.407 1.313 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001316860607 956656902 /nfs/dbraw/zinc/65/69/02/956656902.db2.gz ZJVUGKGVDFGTTD-GJZGRUSLSA-N 2 0 283.460 1.812 10 0 CDAERP C[C@@H]1CC[C@H](C[N@H+](C)CCCNC(=O)C[NH+]2CCCC2)O1 ZINC001316865638 956771241 /nfs/dbraw/zinc/77/12/41/956771241.db2.gz ODRSGEBRRBBIGN-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@@H](F)CC[N@@H+]1CC[C@@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001423575183 956870579 /nfs/dbraw/zinc/87/05/79/956870579.db2.gz NGVWSUDTDHGLMB-UKRRQHHQSA-N 2 0 299.434 1.657 10 0 CDAERP C[C@H]1CCC[C@H](CC[NH+]2CC(NC(=O)CC[NH+](C)C)C2)C1 ZINC001494441084 972233285 /nfs/dbraw/zinc/23/32/85/972233285.db2.gz FXRYEYKNQAUMAO-LSDHHAIUSA-N 2 0 295.471 1.955 10 0 CDAERP CC[C@H](F)C[N@H+](CC)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001366617099 957042821 /nfs/dbraw/zinc/04/28/21/957042821.db2.gz XFQWLGOOJSYUBW-LSDHHAIUSA-N 2 0 299.434 1.514 10 0 CDAERP CC[C@@H](F)C[N@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001366617079 957045832 /nfs/dbraw/zinc/04/58/32/957045832.db2.gz WXJAVSUKYXRBHY-MGPQQGTHSA-N 2 0 287.423 1.513 10 0 CDAERP C[N@H+](CCCF)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001366869656 957237105 /nfs/dbraw/zinc/23/71/05/957237105.db2.gz IVELIFVYKKFWHV-LSDHHAIUSA-N 2 0 299.434 1.611 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC(C)([NH2+]CCF)CC1 ZINC001424478164 957248987 /nfs/dbraw/zinc/24/89/87/957248987.db2.gz XYPLOOMAOHYEIL-AWEZNQCLSA-N 2 0 299.434 1.801 10 0 CDAERP C[C@@H](F)CC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001424496796 957253084 /nfs/dbraw/zinc/25/30/84/957253084.db2.gz DPQFGPDQZPBPMW-KGLIPLIRSA-N 2 0 299.434 1.657 10 0 CDAERP CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CC[NH+](C)C ZINC001424686038 957302080 /nfs/dbraw/zinc/30/20/80/957302080.db2.gz RNVBVXHOUHDWRQ-NVXWUHKLSA-N 2 0 289.423 1.720 10 0 CDAERP CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C ZINC001424700560 957311825 /nfs/dbraw/zinc/31/18/25/957311825.db2.gz JEDZYJMTOCOADS-LSDHHAIUSA-N 2 0 281.444 1.804 10 0 CDAERP Cc1ncc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[NH+](C)C)s1 ZINC001424811981 957366549 /nfs/dbraw/zinc/36/65/49/957366549.db2.gz WIOLXGYRLPZTSA-WDEREUQCSA-N 2 0 298.456 1.386 10 0 CDAERP CC(C)CCC[NH2+][C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001317262209 957387234 /nfs/dbraw/zinc/38/72/34/957387234.db2.gz BEKCQXFFRVOPMU-HUUCEWRRSA-N 2 0 283.460 1.859 10 0 CDAERP CCCC[NH2+][C@@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001317266549 957392724 /nfs/dbraw/zinc/39/27/24/957392724.db2.gz XTHCECCSDSGXFO-STQMWFEESA-N 2 0 255.406 1.223 10 0 CDAERP C[NH+](C)CCC(=O)NCC1C[NH+](CC2CCCCC2)C1 ZINC001494590133 972264550 /nfs/dbraw/zinc/26/45/50/972264550.db2.gz JVNRMQBTEUHQQK-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CCOCC)[C@@H]1C ZINC001332217050 957480188 /nfs/dbraw/zinc/48/01/88/957480188.db2.gz FXEWONJTFOHSAW-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP C[N@H+](CC(=O)N[C@H]1C[NH+](CC2CC2)CC1(C)C)C1CCC1 ZINC001425291954 957508296 /nfs/dbraw/zinc/50/82/96/957508296.db2.gz VGIKTYPALIMULO-HNNXBMFYSA-N 2 0 293.455 1.707 10 0 CDAERP CN(CC[NH2+]CCCF)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001317595630 957589194 /nfs/dbraw/zinc/58/91/94/957589194.db2.gz GHMZWFLCIDHAQM-OAHLLOKOSA-N 2 0 299.434 1.801 10 0 CDAERP CC[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001317636214 957614269 /nfs/dbraw/zinc/61/42/69/957614269.db2.gz LYNUTGIIGNXJTL-CYBMUJFWSA-N 2 0 255.406 1.317 10 0 CDAERP CCCC[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001317654151 957625884 /nfs/dbraw/zinc/62/58/84/957625884.db2.gz IMCWJNMBNMAZBL-HUUCEWRRSA-N 2 0 283.460 1.955 10 0 CDAERP CC[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]Cc1ccccn1 ZINC001367148871 957711714 /nfs/dbraw/zinc/71/17/14/957711714.db2.gz JZQINAXMFRDJES-CQSZACIVSA-N 2 0 292.427 1.406 10 0 CDAERP CCCCCC[NH+]1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001318169709 957950581 /nfs/dbraw/zinc/95/05/81/957950581.db2.gz SHEBAHZAOMZFLP-UHFFFAOYSA-N 2 0 293.455 1.711 10 0 CDAERP CC(C)[N@H+]1CC=C(CNC(=O)CCCn2ccnc2)CC1 ZINC001333456341 958350102 /nfs/dbraw/zinc/35/01/02/958350102.db2.gz BANWDTHGWBKCTR-UHFFFAOYSA-N 2 0 290.411 1.820 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1nccs1 ZINC001494948416 972347362 /nfs/dbraw/zinc/34/73/62/972347362.db2.gz IGUFZHLTSJLIEX-RYUDHWBXSA-N 2 0 296.440 1.222 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001367951219 958510648 /nfs/dbraw/zinc/51/06/48/958510648.db2.gz MLCKSOPRRNOERU-AWEZNQCLSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@@H](C(=O)NC[C@H]1C[N@H+](CC)CCC1(F)F)[NH+](C)C ZINC001368255984 958728438 /nfs/dbraw/zinc/72/84/38/958728438.db2.gz WXHDRZSYQKMETC-RYUDHWBXSA-N 2 0 291.386 1.420 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001368428975 958837259 /nfs/dbraw/zinc/83/72/59/958837259.db2.gz GCCUIYOAGUYVNI-HUUCEWRRSA-N 2 0 281.444 1.517 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001368501910 958906987 /nfs/dbraw/zinc/90/69/87/958906987.db2.gz SVVFCOKBJVAPAZ-QXSJWSMHSA-N 2 0 295.471 1.859 10 0 CDAERP CC[C@H](F)C[NH2+][C@@H](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001368719825 959078507 /nfs/dbraw/zinc/07/85/07/959078507.db2.gz XYVHHBLPODPXMJ-STQMWFEESA-N 2 0 287.423 1.703 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CC[C@@H]([NH+](C)CC)C1 ZINC001414663022 972409836 /nfs/dbraw/zinc/40/98/36/972409836.db2.gz QUASBJRNCPDCNL-HUUCEWRRSA-N 2 0 298.475 1.842 10 0 CDAERP CC(C)[NH2+]CC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001320517562 959216719 /nfs/dbraw/zinc/21/67/19/959216719.db2.gz LSHWHIXRHZEHGB-ZDUSSCGKSA-N 2 0 269.433 1.754 10 0 CDAERP CC(C)C[NH2+]CC(C)(C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001368923820 959255312 /nfs/dbraw/zinc/25/53/12/959255312.db2.gz PRVXDZMUCMOAHS-UHFFFAOYSA-N 2 0 295.471 1.812 10 0 CDAERP CCC[NH2+]CCN(CC)C(=O)C12CCC[NH+]1CCC2 ZINC001320780903 959388498 /nfs/dbraw/zinc/38/84/98/959388498.db2.gz CMHSJWWXASCISO-UHFFFAOYSA-N 2 0 267.417 1.463 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2nccs2)C1 ZINC001369175075 959503127 /nfs/dbraw/zinc/50/31/27/959503127.db2.gz JICQYYAHORRZCA-HAQNSBGRSA-N 2 0 296.440 1.079 10 0 CDAERP CC(C)[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCC1CC1 ZINC001369201275 959528979 /nfs/dbraw/zinc/52/89/79/959528979.db2.gz ZYONQSZUKHQVGM-HZPDHXFCSA-N 2 0 295.471 1.859 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC1CCC1 ZINC001369260655 959584857 /nfs/dbraw/zinc/58/48/57/959584857.db2.gz PGBANNGROZCMKL-ZFWWWQNUSA-N 2 0 281.444 1.707 10 0 CDAERP O=C(NC/C=C/C[NH2+]CC1CC1)C12CCC[NH+]1CCC2 ZINC001321134405 959612718 /nfs/dbraw/zinc/61/27/18/959612718.db2.gz CSKKQTVGTNDJMX-OWOJBTEDSA-N 2 0 277.412 1.287 10 0 CDAERP CC[NH+]1CCC([C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001369565265 959761590 /nfs/dbraw/zinc/76/15/90/959761590.db2.gz RUAREAAZEPCKTJ-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001321662336 959895242 /nfs/dbraw/zinc/89/52/42/959895242.db2.gz GURBKAXXQYPXTK-CQSZACIVSA-N 2 0 283.460 1.859 10 0 CDAERP C[C@@H](C[NH2+]C/C=C/Cl)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001321957808 960034204 /nfs/dbraw/zinc/03/42/04/960034204.db2.gz UKGXRTVOXKUGRZ-YILIYONBSA-N 2 0 273.808 1.318 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]([NH2+]CCC2CC2)C1 ZINC001370363444 960072295 /nfs/dbraw/zinc/07/22/95/960072295.db2.gz NPZTVILZNVIRHD-GJZGRUSLSA-N 2 0 299.434 1.657 10 0 CDAERP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001370668415 960178174 /nfs/dbraw/zinc/17/81/74/960178174.db2.gz ULYINOVYRLPXBF-GASCZTMLSA-N 2 0 281.444 1.755 10 0 CDAERP CN(CCC[NH2+]CCC1CC1)C(=O)C1CC[NH+](C)CC1 ZINC001322678214 960293676 /nfs/dbraw/zinc/29/36/76/960293676.db2.gz MKTPXAUMFDZKGE-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP C[NH+](C)CCc1cccc(C(=O)NCC(C)(C)[NH+](C)C)c1 ZINC001433579618 960413964 /nfs/dbraw/zinc/41/39/64/960413964.db2.gz GUXNDKGANDSNDP-UHFFFAOYSA-N 2 0 291.439 1.861 10 0 CDAERP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C[C@H]21 ZINC001433983780 960844168 /nfs/dbraw/zinc/84/41/68/960844168.db2.gz JWCKYOYFCRXZKO-SEBNEYGDSA-N 2 0 279.428 1.125 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H]3C[NH+](C)C[C@H]32)C1 ZINC001434025591 960902785 /nfs/dbraw/zinc/90/27/85/960902785.db2.gz ZPQHQIULYFZEHQ-QLFBSQMISA-N 2 0 279.428 1.269 10 0 CDAERP CCC[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001418707771 960927174 /nfs/dbraw/zinc/92/71/74/960927174.db2.gz BZDMOFOAKBQOTC-OAHLLOKOSA-N 2 0 281.444 1.565 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C1CC1 ZINC001418801655 961041389 /nfs/dbraw/zinc/04/13/89/961041389.db2.gz PLCVTFWELCXMMU-DZGCQCFKSA-N 2 0 281.444 1.707 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001418921374 961157857 /nfs/dbraw/zinc/15/78/57/961157857.db2.gz SCHNOUZEMKIUFA-LSDHHAIUSA-N 2 0 299.434 1.659 10 0 CDAERP CC[C@@H](C)C[NH+]1CC(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001419037835 961292253 /nfs/dbraw/zinc/29/22/53/961292253.db2.gz GRPFSJQWYHNZRQ-CQSZACIVSA-N 2 0 295.471 1.812 10 0 CDAERP CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]CC[C@H](C)F)C1)[NH+](C)C ZINC001419375972 961638519 /nfs/dbraw/zinc/63/85/19/961638519.db2.gz QLJCTKGXOQETSK-MELADBBJSA-N 2 0 287.423 1.511 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001419408849 961669786 /nfs/dbraw/zinc/66/97/86/961669786.db2.gz QPEMTWNVTWOGML-MGPQQGTHSA-N 2 0 297.418 1.600 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccns1 ZINC001419764242 962082172 /nfs/dbraw/zinc/08/21/72/962082172.db2.gz KQOYMJBINVOGLX-LBPRGKRZSA-N 2 0 298.456 1.420 10 0 CDAERP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCF)C1)[NH+](CC)CC ZINC001419967706 962311522 /nfs/dbraw/zinc/31/15/22/962311522.db2.gz DXAPGXQUKVCLIQ-STQMWFEESA-N 2 0 273.396 1.267 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001436695676 962348444 /nfs/dbraw/zinc/34/84/44/962348444.db2.gz UUMXHVNTKGDSJM-HUUCEWRRSA-N 2 0 281.444 1.707 10 0 CDAERP COC[C@@H](C)[NH2+]CC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001420219901 962596580 /nfs/dbraw/zinc/59/65/80/962596580.db2.gz DXTOLQRCORLXAD-UONOGXRCSA-N 2 0 299.459 1.380 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1ccsc1 ZINC001420347747 962774723 /nfs/dbraw/zinc/77/47/23/962774723.db2.gz RSRVHDUIRFOGIB-CYBMUJFWSA-N 2 0 281.425 1.248 10 0 CDAERP CC(C)C[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001420377627 962815100 /nfs/dbraw/zinc/81/51/00/962815100.db2.gz QQJYEQWBNWQBPI-HUUCEWRRSA-N 2 0 283.460 1.857 10 0 CDAERP C[C@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccon1 ZINC001437384126 962854264 /nfs/dbraw/zinc/85/42/64/962854264.db2.gz PYYMDUGCNUIKLU-OCCSQVGLSA-N 2 0 294.399 1.143 10 0 CDAERP C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccsc1 ZINC001437424711 962877153 /nfs/dbraw/zinc/87/71/53/962877153.db2.gz WVRDDGACWXYYOV-OCCSQVGLSA-N 2 0 295.452 1.684 10 0 CDAERP C[C@@H](F)CC[N@H+](C)C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001420594836 963106269 /nfs/dbraw/zinc/10/62/69/963106269.db2.gz LNBJCBIZDBBYOA-ZIAGYGMSSA-N 2 0 299.434 1.799 10 0 CDAERP CCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001420981520 963402467 /nfs/dbraw/zinc/40/24/67/963402467.db2.gz LNHUGQFPHPBBHT-ZIAGYGMSSA-N 2 0 279.428 1.652 10 0 CDAERP CC[NH2+][C@@H](CC)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001438331321 963420445 /nfs/dbraw/zinc/42/04/45/963420445.db2.gz LGTWZJJTWXTVFJ-SWLSCSKDSA-N 2 0 287.423 1.703 10 0 CDAERP CC(C)[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)C(C)C ZINC001438771927 963545873 /nfs/dbraw/zinc/54/58/73/963545873.db2.gz ZQKQEIPGCCEOCE-LSDHHAIUSA-N 2 0 283.460 1.952 10 0 CDAERP C[C@@H](C[N@H+](C)CC1CC1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001439325473 963724552 /nfs/dbraw/zinc/72/45/52/963724552.db2.gz JRKDAQOXJWMJOT-SWLSCSKDSA-N 2 0 279.428 1.175 10 0 CDAERP C[C@H](C[N@H+](C)CC1CC1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001439325470 963724701 /nfs/dbraw/zinc/72/47/01/963724701.db2.gz JRKDAQOXJWMJOT-DOMZBBRYSA-N 2 0 279.428 1.175 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]CC3CCCC3)CC2)C1 ZINC001439668781 963836408 /nfs/dbraw/zinc/83/64/08/963836408.db2.gz VFGWQHBUVNPJNA-AWEZNQCLSA-N 2 0 279.428 1.367 10 0 CDAERP CC[N@H+](CC1CC1)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001439690054 963838885 /nfs/dbraw/zinc/83/88/85/963838885.db2.gz JHFZDWVWVVHMQR-UHFFFAOYSA-N 2 0 281.444 1.661 10 0 CDAERP CC[C@@H](C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1)OC ZINC001440399536 964017022 /nfs/dbraw/zinc/01/70/22/964017022.db2.gz UFOBDNDBCUPSTK-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP CC[C@H](F)C[N@H+](C)CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001440486448 964075134 /nfs/dbraw/zinc/07/51/34/964075134.db2.gz XLDQBODGTZRBMH-AWEZNQCLSA-N 2 0 287.423 1.611 10 0 CDAERP CC(C)CC[NH+]1CC([C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001441205732 964420077 /nfs/dbraw/zinc/42/00/77/964420077.db2.gz KSXHKROMLCRWEK-CABCVRRESA-N 2 0 295.471 1.811 10 0 CDAERP CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)C3CCC3)C[C@H]2C1 ZINC001441342769 964468133 /nfs/dbraw/zinc/46/81/33/964468133.db2.gz SXILDKNVGTYWHW-SOUVJXGZSA-N 2 0 293.455 1.707 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]([NH2+]C/C=C/Cl)C2)C1 ZINC001441421999 964507898 /nfs/dbraw/zinc/50/78/98/964507898.db2.gz YCBSULVDZAXZRF-JHQBDZAOSA-N 2 0 285.819 1.318 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]C(C)C)C1 ZINC001441566841 964593976 /nfs/dbraw/zinc/59/39/76/964593976.db2.gz KYBAUSPFEMCOBE-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001569393819 1169845882 /nfs/dbraw/zinc/84/58/82/1169845882.db2.gz XLBYWRUXBNOIRK-AWEZNQCLSA-N 2 0 281.444 1.755 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001441976843 964815586 /nfs/dbraw/zinc/81/55/86/964815586.db2.gz AJIMZCZJUUDAQR-ZIAGYGMSSA-N 2 0 287.423 1.561 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001442554613 965113457 /nfs/dbraw/zinc/11/34/57/965113457.db2.gz CJYZGKUITSEFKM-ZDUSSCGKSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)[N@H+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)C1CC1 ZINC001443011476 965320713 /nfs/dbraw/zinc/32/07/13/965320713.db2.gz BJAKFXWHCMLICV-ZBFHGGJFSA-N 2 0 293.455 1.992 10 0 CDAERP COC[C@H](C)[N@@H+]1CC[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001443276113 965422844 /nfs/dbraw/zinc/42/28/44/965422844.db2.gz WGZRZYSZJQVYEH-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP O=C(CC[NH+]1CCCCC1)NC1C[NH+](CC2CCCC2)C1 ZINC001443552307 965511366 /nfs/dbraw/zinc/51/13/66/965511366.db2.gz FBSLAFMFAOZWIB-UHFFFAOYSA-N 2 0 293.455 1.853 10 0 CDAERP CC(C)[C@@H](C(=O)NCC1C[NH+](CC2CC2)C1)[NH+]1CCCC1 ZINC001443651212 965550707 /nfs/dbraw/zinc/55/07/07/965550707.db2.gz DVPUVIPKBVDHKY-INIZCTEOSA-N 2 0 293.455 1.565 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CCC[C@H]1C[NH2+]C(C)C ZINC001446437854 966544293 /nfs/dbraw/zinc/54/42/93/966544293.db2.gz CRXYQIGROLHIKY-UONOGXRCSA-N 2 0 287.423 1.655 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CCC2CC2)C1 ZINC001446949853 966667691 /nfs/dbraw/zinc/66/76/91/966667691.db2.gz UCOUHOOVLKDLIL-GDBMZVCRSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)[N@H+](C)CCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001447347324 966762926 /nfs/dbraw/zinc/76/29/26/966762926.db2.gz RVCSERXDHGITEZ-HNNXBMFYSA-N 2 0 281.444 1.517 10 0 CDAERP CO[C@@H](C)C[N@H+](C)CCCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001447371702 966770067 /nfs/dbraw/zinc/77/00/67/966770067.db2.gz UVTPFVQGKDPEDP-GJZGRUSLSA-N 2 0 299.459 1.143 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1nccs1 ZINC001447926442 966930709 /nfs/dbraw/zinc/93/07/09/966930709.db2.gz VDZPWDWBXRYCRM-NWDGAFQWSA-N 2 0 298.456 1.468 10 0 CDAERP O=C(NCCC[NH+]1CCCC1)[C@H]1CCn2ccnc2C1 ZINC001539096968 967081640 /nfs/dbraw/zinc/08/16/40/967081640.db2.gz YCLASGUYOLAXFU-ZDUSSCGKSA-N 2 0 276.384 1.048 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CC[N@@H+]3CC[C@H]2C3)C1 ZINC001449816198 967570003 /nfs/dbraw/zinc/57/00/03/967570003.db2.gz JTCWBWQGRSWQOT-MJBXVCDLSA-N 2 0 265.401 1.023 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC1CC(C)(C)C1 ZINC001480436206 967644038 /nfs/dbraw/zinc/64/40/38/967644038.db2.gz PFAKZKVURJQTJL-JSGCOSHPSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC1CCCCC1 ZINC001480437631 967647600 /nfs/dbraw/zinc/64/76/00/967647600.db2.gz JLJYRWFEOHGAPG-HIFRSBDPSA-N 2 0 281.444 1.755 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+]C/C=C/Cl ZINC001569560360 1169923526 /nfs/dbraw/zinc/92/35/26/1169923526.db2.gz CNPBOSVPZSIVDS-LJLILKBBSA-N 2 0 287.835 1.661 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+]CCC1CC1 ZINC001569560436 1169923311 /nfs/dbraw/zinc/92/33/11/1169923311.db2.gz FGIKUOLPCONICZ-HNNXBMFYSA-N 2 0 281.444 1.709 10 0 CDAERP COc1ccccc1[C@H](O)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000848718160 969254466 /nfs/dbraw/zinc/25/44/66/969254466.db2.gz YUIAMKOJXUVROL-SGMGOOAPSA-N 2 0 264.369 1.588 10 0 CDAERP CC(C)CCNC(=[NH2+])NCc1ccc2c[nH+]cn2c1 ZINC000849040086 969425428 /nfs/dbraw/zinc/42/54/28/969425428.db2.gz JUHBOXQQXVMXCY-UHFFFAOYSA-N 2 0 259.357 1.994 10 0 CDAERP Cc1ncsc1CCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC001473116776 969508085 /nfs/dbraw/zinc/50/80/85/969508085.db2.gz XDAFSNWHIRZARJ-VXGBXAGGSA-N 2 0 251.399 1.535 10 0 CDAERP COCC[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+](C(C)C)C1 ZINC001464129488 969772563 /nfs/dbraw/zinc/77/25/63/969772563.db2.gz OZRPBWARNNVKBE-OAHLLOKOSA-N 2 0 299.459 1.191 10 0 CDAERP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H](C)CC[NH+](C)C)C1 ZINC001465473926 969875685 /nfs/dbraw/zinc/87/56/85/969875685.db2.gz WDJXECNMISDGLF-CABCVRRESA-N 2 0 283.460 1.765 10 0 CDAERP C[C@@H](CC[NH+](C)C)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC001361781844 970525032 /nfs/dbraw/zinc/52/50/32/970525032.db2.gz HOFZTTPMYXSKEK-AWEZNQCLSA-N 2 0 299.459 1.143 10 0 CDAERP O=C(C[NH+]1CCCC1)N1CC[C@H]([NH2+]CCC(F)(F)F)C1 ZINC001371542357 972543548 /nfs/dbraw/zinc/54/35/48/972543548.db2.gz BZLKTLJSIMPSLN-NSHDSACASA-N 2 0 293.333 1.225 10 0 CDAERP C[C@H](CCNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]C/C=C/Cl ZINC001371866968 972661978 /nfs/dbraw/zinc/66/19/78/972661978.db2.gz IMZFTZDFFRVYHX-QNTSXVQBSA-N 2 0 287.835 1.565 10 0 CDAERP CCC[N@H+](C)CC(=O)NCC[NH+](C)C[C@H]1CCO[C@@H](C)C1 ZINC001372194120 972841428 /nfs/dbraw/zinc/84/14/28/972841428.db2.gz YYMKMVIEWXHDDY-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@H](C)C[N@H+](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001372248190 972875018 /nfs/dbraw/zinc/87/50/18/972875018.db2.gz SKKAEKROTIYBLE-HNNXBMFYSA-N 2 0 283.460 1.957 10 0 CDAERP CC[N@H+](CCCF)CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001372430429 972953184 /nfs/dbraw/zinc/95/31/84/972953184.db2.gz QNZDBPNNTJCIPW-CABCVRRESA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)CCC[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001497901065 973568907 /nfs/dbraw/zinc/56/89/07/973568907.db2.gz XKEMBYZCGAOWEX-CQSZACIVSA-N 2 0 283.460 1.859 10 0 CDAERP CCc1nocc1C[NH2+][C@@H](C)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001418238332 973687907 /nfs/dbraw/zinc/68/79/07/973687907.db2.gz RSZDSVIZMNXLER-SMDDNHRTSA-N 2 0 296.415 1.172 10 0 CDAERP C[C@@H](C[NH2+]Cc1cccnc1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001498117586 973692918 /nfs/dbraw/zinc/69/29/18/973692918.db2.gz FGJFQUQVIYFYMA-KGLIPLIRSA-N 2 0 290.411 1.018 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@](C)(C[NH2+]C/C=C\Cl)C1 ZINC001569680835 1169965534 /nfs/dbraw/zinc/96/55/34/1169965534.db2.gz YOIXMWRFVPJEJC-CUCMZFDFSA-N 2 0 299.846 1.661 10 0 CDAERP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccn1 ZINC001418305371 973740840 /nfs/dbraw/zinc/74/08/40/973740840.db2.gz ZSHOISNGRQAUET-KBPBESRZSA-N 2 0 290.411 1.018 10 0 CDAERP Cc1ncccc1C[NH2+][C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001418311168 973743065 /nfs/dbraw/zinc/74/30/65/973743065.db2.gz DDSBIGCNCNOGNO-CYBMUJFWSA-N 2 0 292.427 1.325 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001418347521 973759262 /nfs/dbraw/zinc/75/92/62/973759262.db2.gz XNZPEIIOUHRDED-UONOGXRCSA-N 2 0 299.434 1.657 10 0 CDAERP C[C@@H](C[NH2+]CC1CCCC1)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001374283270 973874893 /nfs/dbraw/zinc/87/48/93/973874893.db2.gz RNBUZHJMUBQTQE-GJZGRUSLSA-N 2 0 295.471 1.955 10 0 CDAERP Cc1ccccc1C[NH+](C)CCNC(=O)C[N@@H+](C)C(C)C ZINC001418528830 973929216 /nfs/dbraw/zinc/92/92/16/973929216.db2.gz WOAPCIRKXLDSDT-UHFFFAOYSA-N 2 0 291.439 1.883 10 0 CDAERP Cc1cnc(C[NH2+]CCCN(C)C(=O)CC[NH+](C)C)s1 ZINC001498605655 973997694 /nfs/dbraw/zinc/99/76/94/973997694.db2.gz BECTUWLFIMVRTD-UHFFFAOYSA-N 2 0 298.456 1.341 10 0 CDAERP CC(C)C[NH2+]C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001498851281 974077966 /nfs/dbraw/zinc/07/79/66/974077966.db2.gz VVNQREOTCFXVKE-UKRRQHHQSA-N 2 0 281.444 1.469 10 0 CDAERP CC[C@H](C(=O)N[C@H](C[NH2+]C/C=C\Cl)C1CC1)[NH+](C)C ZINC001498857909 974080864 /nfs/dbraw/zinc/08/08/64/974080864.db2.gz JULANOGIVQQNAT-UYMHTNOESA-N 2 0 287.835 1.564 10 0 CDAERP C[C@@H]1[C@@H](C)[NH+](C)CCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001546269459 974253112 /nfs/dbraw/zinc/25/31/12/974253112.db2.gz UWJSCTLOXVVIMA-DGAVXFQQSA-N 2 0 267.417 1.268 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001499610367 974275359 /nfs/dbraw/zinc/27/53/59/974275359.db2.gz PFRAQJYLJQCGFM-GDBMZVCRSA-N 2 0 299.434 1.611 10 0 CDAERP CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CC=C(C)C)[NH+](C)C ZINC001499926633 974338476 /nfs/dbraw/zinc/33/84/76/974338476.db2.gz OECSTTBFKDRYAL-GJZGRUSLSA-N 2 0 281.444 1.873 10 0 CDAERP CCC[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001500257077 974411965 /nfs/dbraw/zinc/41/19/65/974411965.db2.gz IKFRAZBUAQZJJG-HIFRSBDPSA-N 2 0 267.417 1.319 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@]1(C)CC[NH+](CC=C(C)C)C1 ZINC001500283170 974415987 /nfs/dbraw/zinc/41/59/87/974415987.db2.gz ZIKSSUBQVNHIGP-INIZCTEOSA-N 2 0 281.444 1.875 10 0 CDAERP CC[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1CC(C)C ZINC001375604854 974434755 /nfs/dbraw/zinc/43/47/55/974434755.db2.gz QTQJSENETAEEJD-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001501084409 974529763 /nfs/dbraw/zinc/52/97/63/974529763.db2.gz VANLEIJAKWEJDT-KGLIPLIRSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)C[NH+]1CCC2(C[C@@H]2NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001376183178 974595000 /nfs/dbraw/zinc/59/50/00/974595000.db2.gz YQLXCVVSHIBEAX-HNNXBMFYSA-N 2 0 295.471 1.953 10 0 CDAERP CC1CC[NH+](CC(=O)N2CC[C@@H](CC[NH2+]CCF)C2)CC1 ZINC001501632243 974612966 /nfs/dbraw/zinc/61/29/66/974612966.db2.gz NKUVWKZFHYJJQR-OAHLLOKOSA-N 2 0 299.434 1.516 10 0 CDAERP CC(C)CC[NH2+][C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001376369617 974644612 /nfs/dbraw/zinc/64/46/12/974644612.db2.gz YRDYNJUBFZKZNQ-HDJSIYSDSA-N 2 0 281.444 1.754 10 0 CDAERP C[NH+](C)CCCC(=O)N1CCCC[C@@H]1C[NH2+]CCF ZINC001501886850 974652467 /nfs/dbraw/zinc/65/24/67/974652467.db2.gz ZMYCEHIGBAJHHM-CYBMUJFWSA-N 2 0 273.396 1.268 10 0 CDAERP CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+](C)C(C)C)C2 ZINC001502548108 974747673 /nfs/dbraw/zinc/74/76/73/974747673.db2.gz MOMHTRFZJZYFLM-MRXNPFEDSA-N 2 0 281.444 1.661 10 0 CDAERP CCC[NH2+][C@@H](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001503577577 974824802 /nfs/dbraw/zinc/82/48/02/974824802.db2.gz FQIVXKUPIHSKMY-QWHCGFSZSA-N 2 0 255.406 1.223 10 0 CDAERP Cc1ncc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)o1 ZINC001505760833 974985205 /nfs/dbraw/zinc/98/52/05/974985205.db2.gz PIFMLNVRPXUQSR-VXGBXAGGSA-N 2 0 296.415 1.306 10 0 CDAERP CCC[NH2+]CC(C)(C)CN(C)C(=O)Cn1ccnc1C ZINC001505847765 975000536 /nfs/dbraw/zinc/00/05/36/975000536.db2.gz CUTIZWBUIFFSSE-UHFFFAOYSA-N 2 0 280.416 1.676 10 0 CDAERP O=C(C[NH+]1CCCC1)NC[C@H]1CCC[N@@H+]1CCC1CC1 ZINC001377416740 975015606 /nfs/dbraw/zinc/01/56/06/975015606.db2.gz ONTIGPVWXBBUPN-OAHLLOKOSA-N 2 0 279.428 1.463 10 0 CDAERP C[C@@H](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CC1CC1 ZINC001377432537 975023729 /nfs/dbraw/zinc/02/37/29/975023729.db2.gz NFJREGUMKBBRNO-WFASDCNBSA-N 2 0 279.428 1.223 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)N(C)C/C=C\Cl ZINC001505994758 975074989 /nfs/dbraw/zinc/07/49/89/975074989.db2.gz KEYRYTLTKDMUEI-XOIDGJRKSA-N 2 0 261.797 1.127 10 0 CDAERP CCOCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001506065848 975105218 /nfs/dbraw/zinc/10/52/18/975105218.db2.gz XHHGPASHZMMUPY-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP C[NH+](C)CCC(=O)NC1(C[NH2+]CCCF)CCCCC1 ZINC001506518223 975173645 /nfs/dbraw/zinc/17/36/45/975173645.db2.gz PYCAJQISXNBGHQ-UHFFFAOYSA-N 2 0 287.423 1.706 10 0 CDAERP C[C@@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CC[C@H]1CCCCO1 ZINC001378125726 975253373 /nfs/dbraw/zinc/25/33/73/975253373.db2.gz XXLXSMLLNCXMRR-LSDHHAIUSA-N 2 0 299.459 1.334 10 0 CDAERP CCC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001506931813 975265080 /nfs/dbraw/zinc/26/50/80/975265080.db2.gz CCAJUMNXLDHEQO-QWHCGFSZSA-N 2 0 255.406 1.365 10 0 CDAERP CC[C@H](C(=O)N[C@](C)(C[NH2+]CC(C)C)C1CC1)[NH+](C)C ZINC001378423928 975348477 /nfs/dbraw/zinc/34/84/77/975348477.db2.gz CIHJOCYXFJHOPB-GDBMZVCRSA-N 2 0 283.460 1.857 10 0 CDAERP CCCC[NH2+][C@@H](C)CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001507138051 975350635 /nfs/dbraw/zinc/35/06/35/975350635.db2.gz YYFNIMFQBHHNQS-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)C[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001404405121 975383267 /nfs/dbraw/zinc/38/32/67/975383267.db2.gz NHFZXYKTFDOYIE-ZBFHGGJFSA-N 2 0 295.471 1.811 10 0 CDAERP CCCC[NH2+][C@H]1C[C@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001507322874 975416019 /nfs/dbraw/zinc/41/60/19/975416019.db2.gz UPGLLHGCQQPZGH-KBPBESRZSA-N 2 0 269.433 1.707 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]CCCF)CN1C(=O)CCC[NH+]1CCCC1 ZINC001507344710 975424973 /nfs/dbraw/zinc/42/49/73/975424973.db2.gz ZNHWHLLNGRUBIT-LSDHHAIUSA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+]C[C@H]1CCCOC1 ZINC001378645741 975427689 /nfs/dbraw/zinc/42/76/89/975427689.db2.gz VTSXKESGLTWTIQ-HUUCEWRRSA-N 2 0 299.459 1.095 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2C[C@@H]([NH2+]CC3CC3)C2)C1 ZINC001397101094 975462652 /nfs/dbraw/zinc/46/26/52/975462652.db2.gz WGPZUQRUZMHLTL-KFWWJZLASA-N 2 0 279.428 1.223 10 0 CDAERP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]C/C=C/Cl ZINC001401286614 975563710 /nfs/dbraw/zinc/56/37/10/975563710.db2.gz BKBWGISLXAADBI-GPEUJJIWSA-N 2 0 287.835 1.517 10 0 CDAERP CC(C)[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]C/C=C\Cl ZINC001378993882 975581307 /nfs/dbraw/zinc/58/13/07/975581307.db2.gz ANIIZRVWJRPROL-FMFIFOJESA-N 2 0 289.851 1.810 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001388783946 975592649 /nfs/dbraw/zinc/59/26/49/975592649.db2.gz GYNRJUSYMMOHGK-CABCVRRESA-N 2 0 295.471 1.953 10 0 CDAERP CN(CC[N@H+](C)CC1CCCC1)C(=O)[C@@H]1CCC[NH+]1C ZINC001379034077 975609995 /nfs/dbraw/zinc/60/99/95/975609995.db2.gz QOHPWXYQFTXKDU-HNNXBMFYSA-N 2 0 281.444 1.661 10 0 CDAERP CC(C)C[N@H+](C)CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001401366631 975623043 /nfs/dbraw/zinc/62/30/43/975623043.db2.gz UCXKUQAVKAYFHR-HNNXBMFYSA-N 2 0 281.444 1.374 10 0 CDAERP COC[C@H](C)[N@H+](C)CCN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001379065514 975632851 /nfs/dbraw/zinc/63/28/51/975632851.db2.gz OLEPEFZTGWHHSD-GJZGRUSLSA-N 2 0 299.459 1.286 10 0 CDAERP CC(C)C[N@H+]1CC=C(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001508222315 975643608 /nfs/dbraw/zinc/64/36/08/975643608.db2.gz UFCQLLFIPXLYCL-MRXNPFEDSA-N 2 0 295.471 1.977 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC1CC1 ZINC001379166477 975697608 /nfs/dbraw/zinc/69/76/08/975697608.db2.gz HCSBLJQECQAVEM-CABCVRRESA-N 2 0 281.444 1.611 10 0 CDAERP COC[C@@H](C)[NH2+]CC[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001405478857 975754178 /nfs/dbraw/zinc/75/41/78/975754178.db2.gz IIFVCMGAXXNVNP-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@@H](C[NH2+]CC1CC2(CCC2)C1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001401720940 975827612 /nfs/dbraw/zinc/82/76/12/975827612.db2.gz IRQQPBSYXGUGDR-DZGCQCFKSA-N 2 0 293.455 1.613 10 0 CDAERP C[C@H](C[N@H+](C)CCCF)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001401773282 975896100 /nfs/dbraw/zinc/89/61/00/975896100.db2.gz CFOKWRXMNXYJJY-CHWSQXEVSA-N 2 0 273.396 1.124 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CC1CC1 ZINC001401816535 975933666 /nfs/dbraw/zinc/93/36/66/975933666.db2.gz FTWUELAXLRDOFS-ZFWWWQNUSA-N 2 0 281.444 1.707 10 0 CDAERP Cc1cc(C[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+](C)C(C)C)on1 ZINC001405918649 975937609 /nfs/dbraw/zinc/93/76/09/975937609.db2.gz OJMLMKSZIRAEED-CYBMUJFWSA-N 2 0 296.415 1.260 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001398328400 975946730 /nfs/dbraw/zinc/94/67/30/975946730.db2.gz NEDJLFNQBCHURY-AWEZNQCLSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001398572774 976050231 /nfs/dbraw/zinc/05/02/31/976050231.db2.gz IKUGHZDIMVJHJC-HDJSIYSDSA-N 2 0 283.460 2.000 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)COC)C1 ZINC001389984468 976073581 /nfs/dbraw/zinc/07/35/81/976073581.db2.gz UXPOQUKSBYLBBE-KBXIAJHMSA-N 2 0 297.443 1.133 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@](C)(C[NH2+]CC3CC3)C2)C1 ZINC001402170742 976159157 /nfs/dbraw/zinc/15/91/57/976159157.db2.gz KAEYDOBHWXSSKK-DOTOQJQBSA-N 2 0 293.455 1.566 10 0 CDAERP C[C@H](C[NH2+]CC1CC(F)(F)C1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001406425751 976178841 /nfs/dbraw/zinc/17/88/41/976178841.db2.gz APRJAADUFFKIGW-ZYHUDNBSSA-N 2 0 289.370 1.078 10 0 CDAERP C[C@H](F)CC[NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001402358960 976248533 /nfs/dbraw/zinc/24/85/33/976248533.db2.gz IPISQTSIKWPZJK-JSGCOSHPSA-N 2 0 297.418 1.315 10 0 CDAERP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@H+](C)C[C@@H]1CCCCO1 ZINC001406727359 976381787 /nfs/dbraw/zinc/38/17/87/976381787.db2.gz SRDMQHKPOCMHQY-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]CCF ZINC001406800760 976411732 /nfs/dbraw/zinc/41/17/32/976411732.db2.gz FEXIOHCJMCAFMC-STQMWFEESA-N 2 0 273.396 1.124 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH+](C)C[C@@H]1CCOC1 ZINC001402676185 976438492 /nfs/dbraw/zinc/43/84/92/976438492.db2.gz MODYQCKJTXCUBV-HNNXBMFYSA-N 2 0 299.459 1.143 10 0 CDAERP CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+]C[C@@H]1CCOC1)[NH+](C)C ZINC001402823297 976498884 /nfs/dbraw/zinc/49/88/84/976498884.db2.gz QGRRSQCJIMMIGA-KKUMJFAQSA-N 2 0 299.459 1.094 10 0 CDAERP CO[C@H](C)C[NH2+]C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001380840221 976571189 /nfs/dbraw/zinc/57/11/89/976571189.db2.gz LGCGAXNQKAOGRP-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP Cc1ncc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCCC[N@@H+]2C)o1 ZINC001402980775 976638829 /nfs/dbraw/zinc/63/88/29/976638829.db2.gz FZMBLNVZRQOMAR-FZMZJTMJSA-N 2 0 294.399 1.062 10 0 CDAERP CC[C@@H](C(=O)NCC[C@H]1CC[N@H+](CC)C1)[NH+](CC)CC ZINC001391320529 976810819 /nfs/dbraw/zinc/81/08/19/976810819.db2.gz BIMKHXVMYVJMNX-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP C[NH+](C)CCC(=O)NCC[N@H+](CC1CC(C)(C)C1)C1CC1 ZINC001400026859 976814117 /nfs/dbraw/zinc/81/41/17/976814117.db2.gz VVWXIMGYTINDNC-UHFFFAOYSA-N 2 0 295.471 1.955 10 0 CDAERP CCC(CC)C[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001403206551 976814380 /nfs/dbraw/zinc/81/43/80/976814380.db2.gz SXSLILYVUBZXDZ-CQSZACIVSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)C[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)C1CC1 ZINC001400034136 976817868 /nfs/dbraw/zinc/81/78/68/976817868.db2.gz VDOUGLAQYVYJCU-CQSZACIVSA-N 2 0 281.444 1.565 10 0 CDAERP CC(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001403231450 976824847 /nfs/dbraw/zinc/82/48/47/976824847.db2.gz YTMUZLJTXDQLRK-QLFBSQMISA-N 2 0 281.444 1.421 10 0 CDAERP CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](C[C@H](C)OC)C1 ZINC001400132699 976877443 /nfs/dbraw/zinc/87/74/43/976877443.db2.gz DENOQKZCXXPFOA-GJZGRUSLSA-N 2 0 299.459 1.286 10 0 CDAERP CC(C)C[NH+]1CC(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001391489003 976914418 /nfs/dbraw/zinc/91/44/18/976914418.db2.gz SWQHDBHKEVKLSA-HNNXBMFYSA-N 2 0 281.444 1.565 10 0 CDAERP CC[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1cncs1)[NH+](C)C ZINC001403462139 976970613 /nfs/dbraw/zinc/97/06/13/976970613.db2.gz HJBJFBYNGNQEQF-AAEUAGOBSA-N 2 0 298.456 1.468 10 0 CDAERP CC[C@H](F)C[N@H+](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001403486155 976983848 /nfs/dbraw/zinc/98/38/48/976983848.db2.gz NBELARKXPGQAHK-ZDUSSCGKSA-N 2 0 287.423 1.609 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001408300751 976995631 /nfs/dbraw/zinc/99/56/31/976995631.db2.gz HRLPVMLMFYUBKU-SOUVJXGZSA-N 2 0 299.434 1.799 10 0 CDAERP CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001403503992 977001307 /nfs/dbraw/zinc/00/13/07/977001307.db2.gz SLYBMRYFXKWAQX-GJZGRUSLSA-N 2 0 279.428 1.175 10 0 CDAERP C[N@H+](CCCO)C1CC[NH+](CC23CC(C)(C2)OC3)CC1 ZINC001413957550 977091111 /nfs/dbraw/zinc/09/11/11/977091111.db2.gz KBALQCQAWXWCMY-UHFFFAOYSA-N 2 0 282.428 1.334 10 0 CDAERP CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CCC(C)C)[NH+](C)C ZINC001382162655 977192884 /nfs/dbraw/zinc/19/28/84/977192884.db2.gz UUVDNLGLKAWAQU-KGLIPLIRSA-N 2 0 271.449 1.809 10 0 CDAERP C[NH+](C)CC1(C(=O)N2C[C@H]([NH2+]CC3CC3)C(C)(C)C2)CC1 ZINC001382371754 977266484 /nfs/dbraw/zinc/26/64/84/977266484.db2.gz WZDUAIXHECUUIE-AWEZNQCLSA-N 2 0 293.455 1.565 10 0 CDAERP CC(C)[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CCF ZINC001392230139 977273205 /nfs/dbraw/zinc/27/32/05/977273205.db2.gz WHQWFXNJOFIHOX-ZDUSSCGKSA-N 2 0 287.423 1.561 10 0 CDAERP COC[C@@H](C)[N@H+](C)CCN(C(=O)[C@H]1CC[NH+](C)C1)C(C)C ZINC001403949374 977277812 /nfs/dbraw/zinc/27/78/12/977277812.db2.gz WHPUVNNMNVVKCQ-CABCVRRESA-N 2 0 299.459 1.142 10 0 CDAERP COCC[NH+]1CCC([C@@H](C)NC(=O)CCC[NH+](C)C)CC1 ZINC001382561889 977308136 /nfs/dbraw/zinc/30/81/36/977308136.db2.gz PVWSNAYIQMNZRJ-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP C[C@@H]1CC[C@H](C[N@H+](C)CCN(C)C(=O)C[NH+]2CCCC2)O1 ZINC001392327980 977410898 /nfs/dbraw/zinc/41/08/98/977410898.db2.gz YGAVTHIBRPEMAY-HUUCEWRRSA-N 2 0 297.443 1.040 10 0 CDAERP C[C@H](C[NH2+]Cc1ccccc1F)NC(=O)C[NH+]1CCCC1 ZINC001392529848 977472762 /nfs/dbraw/zinc/47/27/62/977472762.db2.gz KURLOEZUEVBRLJ-CYBMUJFWSA-N 2 0 293.386 1.516 10 0 CDAERP CCC/C=C/CC[N@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001492818502 977736659 /nfs/dbraw/zinc/73/66/59/977736659.db2.gz FAWCHGBOFCQMCO-AATRIKPKSA-N 2 0 293.455 1.877 10 0 CDAERP CC(C)C[N@H+](C)CCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001393615728 977863577 /nfs/dbraw/zinc/86/35/77/977863577.db2.gz CURVCMWXQRJTJX-INIZCTEOSA-N 2 0 295.471 1.765 10 0 CDAERP CC[NH2+][C@H](C)[C@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001393962031 977985498 /nfs/dbraw/zinc/98/54/98/977985498.db2.gz YKAFCGVTXRIEMD-KGLIPLIRSA-N 2 0 291.439 1.907 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]C/C=C/Cl ZINC001394005819 978003281 /nfs/dbraw/zinc/00/32/81/978003281.db2.gz RQGSTVSMWHPKFL-KZQRZKTQSA-N 2 0 275.824 1.562 10 0 CDAERP CC(C)CC[N@H+](C)[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001394099414 978063496 /nfs/dbraw/zinc/06/34/96/978063496.db2.gz CRQVPRUHLZREKI-AWEZNQCLSA-N 2 0 283.460 1.811 10 0 CDAERP CC[NH+]1CC([C@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001394275773 978122730 /nfs/dbraw/zinc/12/27/30/978122730.db2.gz ZMJJTYURQUUEDH-GOEBONIOSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001394356325 978139614 /nfs/dbraw/zinc/13/96/14/978139614.db2.gz GKVHQEUMUJCQAS-BZUAXINKSA-N 2 0 295.471 2.000 10 0 CDAERP Cc1ncoc1C[NH2+]C1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001394859023 978286334 /nfs/dbraw/zinc/28/63/34/978286334.db2.gz LNEXXTGXJFNRML-UHFFFAOYSA-N 2 0 294.399 1.014 10 0 CDAERP CC[NH2+]C1CC(N(C)C(=O)CCCC[NH+]2CCCC2)C1 ZINC001677448601 1174361412 /nfs/dbraw/zinc/36/14/12/1174361412.db2.gz OPPJMMOSZIIRAD-UHFFFAOYSA-N 2 0 281.444 1.851 10 0 CDAERP CCCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001571401134 1170412771 /nfs/dbraw/zinc/41/27/71/1170412771.db2.gz XRWMXTDRPNWIQV-QWHCGFSZSA-N 2 0 255.406 1.317 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000601045761 342461133 /nfs/dbraw/zinc/46/11/33/342461133.db2.gz OBKPXFORZIRVMY-UKRRQHHQSA-N 2 0 281.444 1.707 10 0 CDAERP CCN(C(=O)C[NH+]1[C@H](C)CC[C@@H]1C)[C@H]1CC[N@H+](CC)C1 ZINC000617928569 342480735 /nfs/dbraw/zinc/48/07/35/342480735.db2.gz RLBIZPJCEKYATI-ZNMIVQPWSA-N 2 0 281.444 1.802 10 0 CDAERP CCC(C)(C)[NH2+]C[C@H](O)CO[C@@H]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000675079501 539085832 /nfs/dbraw/zinc/08/58/32/539085832.db2.gz GVQXMFFZMDYZMH-XQLPTFJDSA-N 2 0 284.444 1.673 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000561171803 293057203 /nfs/dbraw/zinc/05/72/03/293057203.db2.gz QJQWIYXENIDRRJ-MCIONIFRSA-N 2 0 282.432 1.301 10 0 CDAERP COC[C@H](C)C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650708346 398151747 /nfs/dbraw/zinc/15/17/47/398151747.db2.gz YFMREHZXEDEODM-LXTVHRRPSA-N 2 0 270.417 1.487 10 0 CDAERP C[NH2+]Cc1ccccc1C[NH2+]Cc1ccc(N)nc1 ZINC000650719699 398159449 /nfs/dbraw/zinc/15/94/49/398159449.db2.gz ZTWMPESHNKCDKB-UHFFFAOYSA-N 2 0 256.353 1.503 10 0 CDAERP C[NH2+]Cc1ccccc1C[NH2+]Cc1cnn(CCOC)c1 ZINC000650719661 398159479 /nfs/dbraw/zinc/15/94/79/398159479.db2.gz YGCSJFLETYCFNX-UHFFFAOYSA-N 2 0 288.395 1.539 10 0 CDAERP CC(=O)Nc1ccccc1C[NH2+]CCC1(C[NH3+])CC1 ZINC000650712377 398154810 /nfs/dbraw/zinc/15/48/10/398154810.db2.gz BRSJSNNCFXNCEC-UHFFFAOYSA-N 2 0 261.369 1.864 10 0 CDAERP CC(C)C[N@H+](C)CCCN[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000650739927 398170835 /nfs/dbraw/zinc/17/08/35/398170835.db2.gz BXVWZYGFDPQEFA-HOTGVXAUSA-N 2 0 283.460 1.321 10 0 CDAERP CC(C)C[N@H+](C)CCCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000650741050 398171621 /nfs/dbraw/zinc/17/16/21/398171621.db2.gz WYCYGLPMZOSIJH-CABCVRRESA-N 2 0 255.450 1.942 10 0 CDAERP CC1(C)[C@H]([NH2+]CCC2(C[NH3+])CC2)[C@H]2CCCO[C@@H]21 ZINC000650745278 398173093 /nfs/dbraw/zinc/17/30/93/398173093.db2.gz CUKBKWFUJBROPA-UPJWGTAASA-N 2 0 252.402 1.909 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCCc2c1ccc(=O)n2C ZINC000650764780 398185721 /nfs/dbraw/zinc/18/57/21/398185721.db2.gz NDMGZBFOXXDBIO-OCCSQVGLSA-N 2 0 277.412 1.870 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCc2c1ccc(=O)n2C ZINC000650764674 398185513 /nfs/dbraw/zinc/18/55/13/398185513.db2.gz IQLCEDKWLVXDIY-TZMCWYRMSA-N 2 0 293.411 1.106 10 0 CDAERP CC(C)(C)OC(=O)NCCN1CCCCC[C@@H]1C[NH3+] ZINC000616623868 342119623 /nfs/dbraw/zinc/11/96/23/342119623.db2.gz KQJPBVPUKIDSMP-GFCCVEGCSA-N 2 0 271.405 1.714 10 0 CDAERP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000618984754 349571499 /nfs/dbraw/zinc/57/14/99/349571499.db2.gz YQXYQYHIEQKIEB-LSDHHAIUSA-N 2 0 281.444 1.565 10 0 CDAERP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000618984752 349571606 /nfs/dbraw/zinc/57/16/06/349571606.db2.gz YQXYQYHIEQKIEB-GJZGRUSLSA-N 2 0 281.444 1.565 10 0 CDAERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2conc2C)C1 ZINC000351687227 361862946 /nfs/dbraw/zinc/86/29/46/361862946.db2.gz VFRFSMVLQTUKOR-OAHLLOKOSA-N 2 0 281.400 1.916 10 0 CDAERP CC(C)COC[C@@H](O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366497892 361913680 /nfs/dbraw/zinc/91/36/80/361913680.db2.gz PJMGFQIMUQJBPN-GJZGRUSLSA-N 2 0 270.417 1.048 10 0 CDAERP Cc1cccc2ncc(C[NH2+]CCOCCC[NH3+])n21 ZINC000629399934 361937244 /nfs/dbraw/zinc/93/72/44/361937244.db2.gz MNYFROJYKOKIPO-UHFFFAOYSA-N 2 0 262.357 1.098 10 0 CDAERP C[NH+](C)CCN1CCC([NH2+]CC2(C)CCC2)CC1 ZINC000434786719 539044592 /nfs/dbraw/zinc/04/45/92/539044592.db2.gz SZMNJWWSPPNHEW-UHFFFAOYSA-N 2 0 253.434 1.792 10 0 CDAERP CCc1nn(C)cc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000125514911 187189090 /nfs/dbraw/zinc/18/90/90/187189090.db2.gz UGNDLQUJGYYJHN-VNQPRFMTSA-N 2 0 276.428 1.993 10 0 CDAERP C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H]1c1ccccc1 ZINC000534017046 282161733 /nfs/dbraw/zinc/16/17/33/282161733.db2.gz COEOGYZGDFELPD-JYJNAYRXSA-N 2 0 287.407 1.500 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCCOCC1 ZINC000346130534 539083914 /nfs/dbraw/zinc/08/39/14/539083914.db2.gz IVRHDRXRQMZSOL-UHFFFAOYSA-N 2 0 272.352 1.798 10 0 CDAERP C(CC[NH+]1CCOCC1)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000166177870 539129212 /nfs/dbraw/zinc/12/92/12/539129212.db2.gz BSGUGLZYTHZNSL-HOTGVXAUSA-N 2 0 281.444 1.315 10 0 CDAERP O=C([C@H]1C[C@H](F)C[NH2+]1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000188967209 342280512 /nfs/dbraw/zinc/28/05/12/342280512.db2.gz MHUBCQQSAHSHAE-AYRXBEOTSA-N 2 0 295.402 1.162 10 0 CDAERP CCC(CC)(C[NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000261650165 534929182 /nfs/dbraw/zinc/92/91/82/534929182.db2.gz FMGNDGZJZBAOAV-CYBMUJFWSA-N 2 0 267.417 1.447 10 0 CDAERP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000594926792 342973469 /nfs/dbraw/zinc/97/34/69/342973469.db2.gz YQLYUQDDQCMEGT-FRRDWIJNSA-N 2 0 254.374 1.260 10 0 CDAERP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000594914251 342967614 /nfs/dbraw/zinc/96/76/14/342967614.db2.gz GRBHCPCXIKWWFL-AEGPPILISA-N 2 0 282.428 1.894 10 0 CDAERP C[C@H](C(=O)NCCNc1cc[nH+]cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000534523468 282198973 /nfs/dbraw/zinc/19/89/73/282198973.db2.gz TWYFKVJDSDFCPQ-HZSPNIEDSA-N 2 0 290.411 1.293 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000594945552 342979805 /nfs/dbraw/zinc/97/98/05/342979805.db2.gz FMZMDEQBPRPFGZ-LERXQTSPSA-N 2 0 273.336 1.622 10 0 CDAERP COCCC[NH+]1CCC([NH2+][C@H](C)[C@H]2C[C@H]2C(=O)OC)CC1 ZINC000594924591 342988939 /nfs/dbraw/zinc/98/89/39/342988939.db2.gz JOSOJJPFTFRINY-BPLDGKMQSA-N 2 0 298.427 1.275 10 0 CDAERP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000108552244 349743858 /nfs/dbraw/zinc/74/38/58/349743858.db2.gz PALBTXOITBJNEC-KBPBESRZSA-N 2 0 284.448 1.358 10 0 CDAERP [NH3+]CC1(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)CCCC1 ZINC000645105291 362118465 /nfs/dbraw/zinc/11/84/65/362118465.db2.gz YOIHXZFCIFJZAI-ZIAGYGMSSA-N 2 0 279.428 1.496 10 0 CDAERP CC(C)O[C@H]1C[C@H]([NH2+]CC2([NH3+])CCOCC2)C1(C)C ZINC000629524108 362144773 /nfs/dbraw/zinc/14/47/73/362144773.db2.gz LMVRRKSSWBYPNV-STQMWFEESA-N 2 0 270.417 1.676 10 0 CDAERP OC[C@@H]1C[NH2+]C[C@H]1C1CC[NH+](Cc2ccco2)CC1 ZINC000169789009 362135655 /nfs/dbraw/zinc/13/56/55/362135655.db2.gz MKLCREUZAWKLPE-ZFWWWQNUSA-N 2 0 264.369 1.320 10 0 CDAERP C[C@H](C[C@H]1CCCCC[NH2+]1)NCC1([NH3+])CCOCC1 ZINC000629519035 362137646 /nfs/dbraw/zinc/13/76/46/362137646.db2.gz DSBQWNHGCMQBKQ-ZIAGYGMSSA-N 2 0 269.433 1.395 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCOC3CCOCC3)C[C@@H]21 ZINC000629519744 362138860 /nfs/dbraw/zinc/13/88/60/362138860.db2.gz QNHKMBYXAMAZEJ-AEGPPILISA-N 2 0 268.401 1.241 10 0 CDAERP [NH3+]C1(C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)CCOCC1 ZINC000629520091 362139740 /nfs/dbraw/zinc/13/97/40/362139740.db2.gz KHHDOXJAHYXVCD-SOUVJXGZSA-N 2 0 282.428 1.679 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](COC)c1ccc(F)c(F)c1 ZINC000629529720 362156198 /nfs/dbraw/zinc/15/61/98/362156198.db2.gz LQQSNJJIXOBQSP-AWEZNQCLSA-N 2 0 288.338 1.478 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](c1ccc(F)cn1)C(C)C ZINC000629529536 362157288 /nfs/dbraw/zinc/15/72/88/362157288.db2.gz GIHPRQWFAZWQGG-CQSZACIVSA-N 2 0 269.364 1.743 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1 ZINC000629530256 362158983 /nfs/dbraw/zinc/15/89/83/362158983.db2.gz AXPMPKCBSZMWMK-KBPBESRZSA-N 2 0 280.416 1.272 10 0 CDAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1cnn(C(C)C)c1C ZINC000629530849 362160444 /nfs/dbraw/zinc/16/04/44/362160444.db2.gz SRMUASSRCBVGAE-LBPRGKRZSA-N 2 0 268.405 1.659 10 0 CDAERP CC(C)[C@@H](NC[C@@H](O)C[NH+]1CCCC1)c1cccnc1 ZINC000091306348 342402812 /nfs/dbraw/zinc/40/28/12/342402812.db2.gz JNSFSBSLANUJHD-HZPDHXFCSA-N 2 0 277.412 1.825 10 0 CDAERP FC1(F)CC[C@H](C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000311699875 362175666 /nfs/dbraw/zinc/17/56/66/362175666.db2.gz QDAZSPYSYURATH-QWHCGFSZSA-N 2 0 273.371 1.401 10 0 CDAERP C(C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)OC1CCOCC1 ZINC000629533075 362170264 /nfs/dbraw/zinc/17/02/64/362170264.db2.gz GLTJIJLIEKGXRO-LSDHHAIUSA-N 2 0 282.428 1.504 10 0 CDAERP CC(C)[C@@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000143285565 342435087 /nfs/dbraw/zinc/43/50/87/342435087.db2.gz UPZCGSLFVLLNSA-INIZCTEOSA-N 2 0 293.455 1.850 10 0 CDAERP C[C@@H]1C[C@@H](Nc2nc(N)[nH+]c3c2CCCC3)C[N@@H+]1C1CC1 ZINC000645187148 362234751 /nfs/dbraw/zinc/23/47/51/362234751.db2.gz FVEZXQQPLGJITL-GHMZBOCLSA-N 2 0 287.411 1.227 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CCSCCCO)CC1(C)C ZINC000598963195 343930366 /nfs/dbraw/zinc/93/03/66/343930366.db2.gz LMNODFCMXDPFCN-GFCCVEGCSA-N 2 0 260.447 1.564 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@@H](C)[NH+](CC)CC ZINC000171038437 362291293 /nfs/dbraw/zinc/29/12/93/362291293.db2.gz RRYKPZQDDCQWHC-UONOGXRCSA-N 2 0 286.464 1.746 10 0 CDAERP CC(C)(C)c1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)s1 ZINC000263229784 362357299 /nfs/dbraw/zinc/35/72/99/362357299.db2.gz NFFQNUJCMLGRRJ-ZYHUDNBSSA-N 2 0 268.426 1.716 10 0 CDAERP C[NH+](C)Cc1cccc(NC(=O)NCCC2(C[NH3+])CC2)c1 ZINC000623069999 344855963 /nfs/dbraw/zinc/85/59/63/344855963.db2.gz WIGZTXFFFGYQFN-UHFFFAOYSA-N 2 0 290.411 1.999 10 0 CDAERP C[NH+](C)CC(C)(C)CNC(=O)CC1([NH3+])CCCC1 ZINC000084162217 178809987 /nfs/dbraw/zinc/80/99/87/178809987.db2.gz PWSRKJLZSJZRTE-UHFFFAOYSA-N 2 0 255.406 1.352 10 0 CDAERP CC(C)[NH+]1CCC(N(C)C(=O)CC2([NH3+])CCCC2)CC1 ZINC000084170328 178814090 /nfs/dbraw/zinc/81/40/90/178814090.db2.gz RTZYEPCSXRXGOJ-UHFFFAOYSA-N 2 0 281.444 1.979 10 0 CDAERP C[NH+]1[C@@H]2CCC[C@H]1CC(NC(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC000608145787 345618833 /nfs/dbraw/zinc/61/88/33/345618833.db2.gz PORLUAFYJLWPAF-JALIKCBVSA-N 2 0 279.428 1.602 10 0 CDAERP C[NH+]1CCN(CCC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623343140 346071542 /nfs/dbraw/zinc/07/15/42/346071542.db2.gz BXCHTOTYDVJZIB-HNNXBMFYSA-N 3 0 282.476 1.086 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@@H](C)[NH+](C3CC3)C2)C1 ZINC000571534009 362674218 /nfs/dbraw/zinc/67/42/18/362674218.db2.gz DNFPIFCXNINRGC-JHJVBQTASA-N 2 0 265.401 1.070 10 0 CDAERP CC[NH+](CC)CCn1cc(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])cn1 ZINC000085366323 179037116 /nfs/dbraw/zinc/03/71/16/179037116.db2.gz QRGLYGVYLUAEIF-KGLIPLIRSA-N 2 0 293.415 1.291 10 0 CDAERP CC[NH+](CC)CCn1cc(NC(=O)[C@H]2CCC[C@@H]2[NH3+])cn1 ZINC000085366325 179037223 /nfs/dbraw/zinc/03/72/23/179037223.db2.gz QRGLYGVYLUAEIF-KBPBESRZSA-N 2 0 293.415 1.291 10 0 CDAERP CC(C)CC[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000085369272 179039062 /nfs/dbraw/zinc/03/90/62/179039062.db2.gz JTJMIZIWWJUOGT-KGLIPLIRSA-N 2 0 267.417 1.304 10 0 CDAERP CCC(CC)[C@H](CNC(=O)[C@@H]1CCC[C@@H]1[NH3+])[NH+](C)C ZINC000085371145 179041415 /nfs/dbraw/zinc/04/14/15/179041415.db2.gz MKBFBFBHCTXDQJ-RDBSUJKOSA-N 2 0 269.433 1.596 10 0 CDAERP COCC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623421687 346420089 /nfs/dbraw/zinc/42/00/89/346420089.db2.gz VYSJGMHKAABQOS-OCCSQVGLSA-N 2 0 258.406 1.236 10 0 CDAERP C[N@@H+]1CC[C@@H]([NH2+]CCOC[C@@H]2CCCO2)CC1(C)C ZINC000623420764 346421498 /nfs/dbraw/zinc/42/14/98/346421498.db2.gz OCJSRUOAISWTTO-KGLIPLIRSA-N 2 0 270.417 1.644 10 0 CDAERP COCC[N@H+](C)CCn1c2c(nc1C(C)(C)C)C[NH2+]CC2 ZINC000085571110 179097507 /nfs/dbraw/zinc/09/75/07/179097507.db2.gz LRLXYASVZAAMKH-UHFFFAOYSA-N 2 0 294.443 1.405 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3n[nH]cc3C2)CC1(C)C ZINC000623426001 346476244 /nfs/dbraw/zinc/47/62/44/346476244.db2.gz XPDWPGXIVMXXBU-STQMWFEESA-N 2 0 262.401 1.729 10 0 CDAERP C[N@@H+]1CC[C@H](Cn2c3c(nc2C(C)(C)C)C[NH2+]CC3)C1 ZINC000085570438 179096138 /nfs/dbraw/zinc/09/61/38/179096138.db2.gz IZMDANCPWGPJFQ-LBPRGKRZSA-N 2 0 276.428 1.778 10 0 CDAERP CC[C@@]1(C)C[N@H+](CCn2ccnc2C)CCC[NH2+]1 ZINC000085616929 179104102 /nfs/dbraw/zinc/10/41/02/179104102.db2.gz HETXLFODZYXMRZ-AWEZNQCLSA-N 2 0 250.390 1.656 10 0 CDAERP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000227410590 346528195 /nfs/dbraw/zinc/52/81/95/346528195.db2.gz RBANSGUWWQMIAZ-XUXIUFHCSA-N 2 0 265.401 1.070 10 0 CDAERP CCC[NH2+][C@@H](CCO)CN1CC[C@H]([NH+](CC)CC)C1 ZINC000085922960 179201244 /nfs/dbraw/zinc/20/12/44/179201244.db2.gz JWHLKPOYKNTDLX-GJZGRUSLSA-N 2 0 271.449 1.153 10 0 CDAERP CC(C)n1cc(C[NH2+]CCCC[NH+]2CCOCC2)nn1 ZINC000342057308 535061035 /nfs/dbraw/zinc/06/10/35/535061035.db2.gz GJQKSEIKDZKURC-UHFFFAOYSA-N 2 0 281.404 1.061 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CN1CC[NH2+][C@](C)(C2CC2)C1 ZINC000086145824 179238763 /nfs/dbraw/zinc/23/87/63/179238763.db2.gz LHRIHRHYELUPRE-GJZGRUSLSA-N 2 0 251.418 1.545 10 0 CDAERP C[N@@H+]1CC[C@@H](CN2CC[NH2+][C@H](C3CCCCC3)C2)C1 ZINC000086141895 179236441 /nfs/dbraw/zinc/23/64/41/179236441.db2.gz ONYJJJUCUUPONN-ZBFHGGJFSA-N 2 0 265.445 1.792 10 0 CDAERP CC[N@@H+]1CC[C@H](CN2CC[NH2+]C3(CCCC3)C2)C1 ZINC000086141819 179237013 /nfs/dbraw/zinc/23/70/13/179237013.db2.gz GXAQXBRLJIVTOQ-AWEZNQCLSA-N 2 0 251.418 1.546 10 0 CDAERP C[C@H]1C[NH2+][C@@H](Cc2ccccc2)CN1C1CC[NH+](C)CC1 ZINC000086153975 179241582 /nfs/dbraw/zinc/24/15/82/179241582.db2.gz DCHBQMTZJZGEOE-RDJZCZTQSA-N 2 0 287.451 1.986 10 0 CDAERP C[N@@H+]1CCC[C@@H](CN2CC[NH2+][C@@H](C(C)(C)C)C2)C1 ZINC000086145770 179239042 /nfs/dbraw/zinc/23/90/42/179239042.db2.gz MKXCSGRBCBRDPS-ZIAGYGMSSA-N 2 0 253.434 1.648 10 0 CDAERP C[C@H]1C[NH2+][C@@](C)(C2CC2)CN1C[C@@H]1CCCC[N@@H+]1C ZINC000086259312 179258519 /nfs/dbraw/zinc/25/85/19/179258519.db2.gz MCZRADRSBNHMDF-CWRNSKLLSA-N 2 0 265.445 1.933 10 0 CDAERP COCC1(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CCOCC1 ZINC000623530003 347618204 /nfs/dbraw/zinc/61/82/04/347618204.db2.gz IPSINIVGOIBSJG-CQSZACIVSA-N 2 0 284.444 1.892 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC2(CC(N)=O)CC2)CC1(C)C ZINC000623552657 347628905 /nfs/dbraw/zinc/62/89/05/347628905.db2.gz OUQQEHOHQJYBEL-NSHDSACASA-N 2 0 253.390 1.104 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)[C@]2(O)CCOC2)CC1(C)C ZINC000623557341 347630746 /nfs/dbraw/zinc/63/07/46/347630746.db2.gz SSEIPXQHXZYPQN-BBRMVZONSA-N 2 0 284.444 1.626 10 0 CDAERP CN(CCC[N@H+](C)Cc1ccco1)C(=O)NC/C=C\C[NH3+] ZINC000641862534 365947064 /nfs/dbraw/zinc/94/70/64/365947064.db2.gz PDDKOHWGUBLCQB-ARJAWSKDSA-N 2 0 294.399 1.258 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCOC(F)(F)F)[C@@H]2CCC[C@@H]21 ZINC000353670729 290218782 /nfs/dbraw/zinc/21/87/82/290218782.db2.gz AXEJZGVFZUGEAU-DCAQKATOSA-N 2 0 266.307 1.985 10 0 CDAERP CCCC[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000042248494 348720776 /nfs/dbraw/zinc/72/07/76/348720776.db2.gz SUIPQJMFBQXNMZ-UHFFFAOYSA-N 2 0 267.417 1.461 10 0 CDAERP C[C@@H]([NH2+]CCOCCC[NH3+])c1ccc2c(c1)CCC(=O)N2 ZINC000629536250 362950717 /nfs/dbraw/zinc/95/07/17/362950717.db2.gz GJEBOUDMGSRUTI-GFCCVEGCSA-N 2 0 291.395 1.587 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1c2ccccc2C(=O)N1C ZINC000629536686 362950761 /nfs/dbraw/zinc/95/07/61/362950761.db2.gz INOGLBYFGCHGQC-DOMZBBRYSA-N 2 0 275.396 1.920 10 0 CDAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCOCCC[NH3+] ZINC000629541142 362965449 /nfs/dbraw/zinc/96/54/49/362965449.db2.gz WPOJXLIGIXUIHD-ZIAGYGMSSA-N 3 0 257.422 1.252 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000333294803 362969217 /nfs/dbraw/zinc/96/92/17/362969217.db2.gz IEXMFUGZJALPAX-MCIONIFRSA-N 2 0 282.432 1.095 10 0 CDAERP CCn1nccc1CC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000621775668 350771810 /nfs/dbraw/zinc/77/18/10/350771810.db2.gz WCWPBNBSPIJVJB-CFVMTHIKSA-N 2 0 262.401 1.505 10 0 CDAERP CCn1nccc1CC[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000621775262 350772267 /nfs/dbraw/zinc/77/22/67/350772267.db2.gz JZQDSGAMPWPXRH-OAHLLOKOSA-N 2 0 276.428 1.767 10 0 CDAERP CCn1nccc1CC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000621776681 350772707 /nfs/dbraw/zinc/77/27/07/350772707.db2.gz SGNIJHXFCVUDGN-HNNXBMFYSA-N 2 0 262.401 1.521 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1ccc(OC)c(F)c1 ZINC000629567433 363014411 /nfs/dbraw/zinc/01/44/11/363014411.db2.gz ODHNUKROILZRKC-UHFFFAOYSA-N 2 0 270.348 1.502 10 0 CDAERP COCC[N@H+](C)CCC[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000623861747 351305693 /nfs/dbraw/zinc/30/56/93/351305693.db2.gz BSVCRPUEXDZSFW-UONOGXRCSA-N 2 0 258.406 1.502 10 0 CDAERP O=C(CC[N@@H+]1CCCC2(CC2)CC1)N1CC[NH2+]CC1 ZINC000629586305 363054744 /nfs/dbraw/zinc/05/47/44/363054744.db2.gz OMVUVVXKJGJRQV-UHFFFAOYSA-N 2 0 265.401 1.074 10 0 CDAERP C[NH+](C)CCOc1ccc(C[NH2+]C2COCCOC2)cc1 ZINC000644422038 366041217 /nfs/dbraw/zinc/04/12/17/366041217.db2.gz IEICKHOAXUZTIQ-UHFFFAOYSA-N 2 0 294.395 1.132 10 0 CDAERP C[C@]12C[NH2+]C[C@@]1(C)CN(CCC[NH+]1CCCCC1)C2 ZINC000629595961 363097190 /nfs/dbraw/zinc/09/71/90/363097190.db2.gz VHHOITDOPXDPPW-IYBDPMFKSA-N 2 0 265.445 1.794 10 0 CDAERP C[N@@H+](CC(=O)N1CC[NH2+]CC1)C[C@@H]1CCCC(C)(C)C1 ZINC000569809997 363105569 /nfs/dbraw/zinc/10/55/69/363105569.db2.gz DNUUJEQKABUTPC-CQSZACIVSA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)[NH2+]CCCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000569918945 363208731 /nfs/dbraw/zinc/20/87/31/363208731.db2.gz ZHDBIPNBOLJISG-KFWWJZLASA-N 2 0 253.434 1.837 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659548831 412574646 /nfs/dbraw/zinc/57/46/46/412574646.db2.gz KENVZNZJWRCWAK-QHSBEEBCSA-N 2 0 290.411 1.167 10 0 CDAERP CC1CCC(C)(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CC1 ZINC000569921384 363217991 /nfs/dbraw/zinc/21/79/91/363217991.db2.gz YGGZJZSHCAUDDQ-CGZBRXJRSA-N 2 0 297.487 1.401 10 0 CDAERP C[C@@H](CNC(=O)N[C@H]1CCCC[NH2+]C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000333936177 363239384 /nfs/dbraw/zinc/23/93/84/363239384.db2.gz KEPKBVRSLSOIDO-ILXRZTDVSA-N 2 0 296.459 1.548 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1sccc1OC ZINC000629653711 363254370 /nfs/dbraw/zinc/25/43/70/363254370.db2.gz MHNLKKRJOOUNRB-UHFFFAOYSA-N 2 0 258.387 1.425 10 0 CDAERP C[C@H](c1ccccc1)[C@@H](O)C[NH2+][C@H]1CCCN(C)C1 ZINC000644548241 366165735 /nfs/dbraw/zinc/16/57/35/366165735.db2.gz WBQCNUPPVHQYEN-KBMXLJTQSA-N 2 0 262.397 1.835 10 0 CDAERP CCC(C)(C)[NH2+][C@H](C)C(=O)NCCCC[NH+](C)C ZINC000356213187 366175149 /nfs/dbraw/zinc/17/51/49/366175149.db2.gz GBAKEGZOHZCYLO-GFCCVEGCSA-N 2 0 257.422 1.611 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634765861 358503302 /nfs/dbraw/zinc/50/33/02/358503302.db2.gz HPSVEKLTCJSLMN-LZWOXQAQSA-N 2 0 281.444 1.469 10 0 CDAERP C[C@H]1CN(C2CCC(C)([NH+]3CCOCC3)CC2)CC[NH2+]1 ZINC000725262632 538454804 /nfs/dbraw/zinc/45/48/04/538454804.db2.gz JKAUHJWTCZWTHM-FHERZECASA-N 2 0 281.444 1.314 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH+](C)C)C2)CC[N@@H+]1C ZINC000631294674 356792049 /nfs/dbraw/zinc/79/20/49/356792049.db2.gz LHSJHDKVOQDZLU-HZSPNIEDSA-N 2 0 267.417 1.127 10 0 CDAERP C[NH+](C)CCCNCC(=O)NC1CCCCCC1 ZINC000047980094 357169852 /nfs/dbraw/zinc/16/98/52/357169852.db2.gz PMNRTKMZKINDOQ-UHFFFAOYSA-N 2 0 255.406 1.367 10 0 CDAERP COCC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000684369463 482776960 /nfs/dbraw/zinc/77/69/60/482776960.db2.gz PLVMPSBRLKNMEW-KGLIPLIRSA-N 2 0 258.406 1.502 10 0 CDAERP C[C@H]([NH2+]C[C@@H](c1ccco1)N(C)C)[C@H]1CCC[NH2+]C1 ZINC000564825375 357278163 /nfs/dbraw/zinc/27/81/63/357278163.db2.gz AIRDSFXCURKYNI-IHRRRGAJSA-N 2 0 265.401 1.860 10 0 CDAERP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)C[C@](C)(O)C2CC2)C1 ZINC000634716295 357423477 /nfs/dbraw/zinc/42/34/77/357423477.db2.gz RVEKBROMIGMTNA-KBMXLJTQSA-N 2 0 284.444 1.220 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000581199667 357879140 /nfs/dbraw/zinc/87/91/40/357879140.db2.gz KJTSCGQTFHCZAD-OCCSQVGLSA-N 2 0 265.401 1.023 10 0 CDAERP Cc1n[nH]c(C)c1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732908 358061856 /nfs/dbraw/zinc/06/18/56/358061856.db2.gz RRSJTIJSMMLSFT-LBPRGKRZSA-N 2 0 250.390 1.894 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000571657656 366388771 /nfs/dbraw/zinc/38/87/71/366388771.db2.gz HHNHAJQLDDRGGE-MGPQQGTHSA-N 2 0 282.432 1.016 10 0 CDAERP CC(C)C[C@H]([NH3+])C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000236684407 358800091 /nfs/dbraw/zinc/80/00/91/358800091.db2.gz UUDBXLUXTAMADG-STQMWFEESA-N 2 0 255.406 1.350 10 0 CDAERP O=C1C[C@@H]([C@@H]2CCCC[N@@H+]2CCC[NH+]2CCCCC2)CN1 ZINC000162156176 358828943 /nfs/dbraw/zinc/82/89/43/358828943.db2.gz POGZBKHXLKCQPT-CVEARBPZSA-N 2 0 293.455 1.853 10 0 CDAERP COc1cc(C)nc(CN2CC[C@H]3C[N@H+](C)C[C@@H]32)c1 ZINC000644734038 366482465 /nfs/dbraw/zinc/48/24/65/366482465.db2.gz XGYRLOHRNKDNFQ-WFASDCNBSA-N 2 0 261.369 1.535 10 0 CDAERP C[NH2+]C1CCN(C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000623068235 358897836 /nfs/dbraw/zinc/89/78/36/358897836.db2.gz WUWRUYSSFBMQIT-UHFFFAOYSA-N 2 0 290.411 1.964 10 0 CDAERP COc1ccc(C[NH+](C)C)cc1NC(=O)CC[C@@H](C)[NH3+] ZINC000070315415 358936101 /nfs/dbraw/zinc/93/61/01/358936101.db2.gz PAJHJXSTLYPSEC-LLVKDONJSA-N 2 0 279.384 1.823 10 0 CDAERP COC(C)(C)CC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000346606084 359026276 /nfs/dbraw/zinc/02/62/76/359026276.db2.gz JMMBLYDYNNSIQP-JKSUJKDBSA-N 2 0 297.487 1.759 10 0 CDAERP C[C@]1(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC[NH2+]C1 ZINC000261880751 359076276 /nfs/dbraw/zinc/07/62/76/359076276.db2.gz QVPKVECXAKDDNN-UAGQMJEPSA-N 2 0 277.456 1.935 10 0 CDAERP [NH3+][C@H]1CCCCCC[C@H]1C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000261927588 359091628 /nfs/dbraw/zinc/09/16/28/359091628.db2.gz ZNVZFPPJLAOYAQ-CABCVRRESA-N 2 0 293.455 1.886 10 0 CDAERP CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262436154 359169483 /nfs/dbraw/zinc/16/94/83/359169483.db2.gz SHASEZSQXJEEFY-KKUMJFAQSA-N 2 0 281.444 1.755 10 0 CDAERP CC[N@H+](CCNC(=O)N[C@@H]1C[NH+](C(C)C)C[C@@H]1C)C1CC1 ZINC000119817357 359252186 /nfs/dbraw/zinc/25/21/86/359252186.db2.gz IVHXNANKVAWLEP-DZGCQCFKSA-N 2 0 296.459 1.499 10 0 CDAERP C[C@H](C[C@H]1COCC[NH2+]1)NCC[N@H+](C)C1CCCCC1 ZINC000422698759 359650104 /nfs/dbraw/zinc/65/01/04/359650104.db2.gz AWFRXPCDCQRTQF-CABCVRRESA-N 2 0 283.460 1.608 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCc1nc2c(s1)CCCC2 ZINC000422957742 359717346 /nfs/dbraw/zinc/71/73/46/359717346.db2.gz VJOTZOVSIJKNDV-GFCCVEGCSA-N 2 0 297.468 1.908 10 0 CDAERP C[C@@H]([NH2+]CC1(O)CCOCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347922489 359697418 /nfs/dbraw/zinc/69/74/18/359697418.db2.gz CSXLNCCQLIFEJK-HUUCEWRRSA-N 2 0 296.455 1.771 10 0 CDAERP CCN(CC)C(=O)C[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000423393229 359784929 /nfs/dbraw/zinc/78/49/29/359784929.db2.gz MCPCCZBNNCEOPI-AGIUHOORSA-N 2 0 255.406 1.221 10 0 CDAERP CC(C)[C@H](C(=O)NC1CCC(C[NH+](C)C)CC1)[C@@H](C)[NH3+] ZINC000423746682 359872293 /nfs/dbraw/zinc/87/22/93/359872293.db2.gz OIQLULBJTCSRRJ-URGYJCLVSA-N 2 0 283.460 1.842 10 0 CDAERP CC(C)(C)[C@@H](O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000336829995 359905112 /nfs/dbraw/zinc/90/51/12/359905112.db2.gz JQVDJCPSJGYHFQ-HNNXBMFYSA-N 2 0 284.444 1.438 10 0 CDAERP O=C1NCCC[C@@H]1[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348326298 360010029 /nfs/dbraw/zinc/01/00/29/360010029.db2.gz HSYRDZHKTOWOLE-BBWFWOEESA-N 2 0 299.418 1.329 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@]1(F)c1ccccc1 ZINC000424375339 360027678 /nfs/dbraw/zinc/02/76/78/360027678.db2.gz MVAAUWHDZIPNCY-ZNMIVQPWSA-N 2 0 266.360 1.967 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOC2)[C@H](C)C1 ZINC000348321138 360005057 /nfs/dbraw/zinc/00/50/57/360005057.db2.gz SIHYWNNSEHAYRH-KFWWJZLASA-N 2 0 270.417 1.502 10 0 CDAERP CC[NH+](CC)CC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000337462239 360149728 /nfs/dbraw/zinc/14/97/28/360149728.db2.gz QBVNARSBDPLBMV-UONOGXRCSA-N 2 0 269.433 1.517 10 0 CDAERP [NH3+]C[C@@H]1c2ccccc2CCN1CC[C@H]1CCC[NH2+]C1 ZINC000515301090 360470673 /nfs/dbraw/zinc/47/06/73/360470673.db2.gz NCFQNKIERNXLQI-RHSMWYFYSA-N 2 0 273.424 1.934 10 0 CDAERP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)CCO1 ZINC000352618461 363743112 /nfs/dbraw/zinc/74/31/12/363743112.db2.gz QQXGVGZEWGKMBN-NQNKBUKLSA-N 2 0 296.455 1.985 10 0 CDAERP CC[N@@H+]1CC[C@H](C[NH2+]CCC(C)(C)C(=O)OC)C1 ZINC000354158287 360457908 /nfs/dbraw/zinc/45/79/08/360457908.db2.gz AYFIISDKXORGNT-GFCCVEGCSA-N 2 0 256.390 1.507 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000626919678 360634351 /nfs/dbraw/zinc/63/43/51/360634351.db2.gz KYWBXDJJIWAXQS-CFVMTHIKSA-N 2 0 290.411 1.339 10 0 CDAERP COC(=O)CC1([NH2+]CC[C@@H]2CCC[N@@H+]2C)CCCC1 ZINC000338333756 360851860 /nfs/dbraw/zinc/85/18/60/360851860.db2.gz SDNUWYPAWGQLES-ZDUSSCGKSA-N 2 0 268.401 1.936 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CNC(=O)CC[C@H]1CCCC[NH+]1C ZINC000431507211 360993810 /nfs/dbraw/zinc/99/38/10/360993810.db2.gz RQSJBCIWQBBMPO-CABCVRRESA-N 2 0 281.444 1.851 10 0 CDAERP C[C@H](C(=O)OC(C)(C)C)N(C)CCn1ccnc1 ZINC000131596310 361115134 /nfs/dbraw/zinc/11/51/34/361115134.db2.gz HYKXTWSKRYKJAH-LLVKDONJSA-N 2 0 253.346 1.545 10 0 CDAERP C[C@H]1C[N@H+](C)C[C@H]1NCCC[NH+]1CCCO[C@H](C)C1 ZINC000432361730 361156209 /nfs/dbraw/zinc/15/62/09/361156209.db2.gz ZFJINRCNXRBQON-RRFJBIMHSA-N 2 0 269.433 1.027 10 0 CDAERP C[C@@H](CCC[NH3+])NC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000519546262 361345020 /nfs/dbraw/zinc/34/50/20/361345020.db2.gz UHNMXDVFIZJUSR-SWLSCSKDSA-N 2 0 290.411 1.382 10 0 CDAERP CC(C)[NH+](CCNC(=O)C[C@H]1CCC[NH2+]C1)C(C)C ZINC000054290028 361366574 /nfs/dbraw/zinc/36/65/74/361366574.db2.gz VOAQNNYXYAUSMH-CQSZACIVSA-N 2 0 269.433 1.611 10 0 CDAERP C[C@@H]1C[C@H]1C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000351219113 361623022 /nfs/dbraw/zinc/62/30/22/361623022.db2.gz BGJNDWOUEXVQFQ-PMPSAXMXSA-N 2 0 265.445 1.744 10 0 CDAERP CN(C)c1ccncc1C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000623754429 363859946 /nfs/dbraw/zinc/85/99/46/363859946.db2.gz OHXBTHFMYYTTRI-ZFWWWQNUSA-N 2 0 261.369 1.805 10 0 CDAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCC[N@H+](C)C1CC1 ZINC000352741580 363849834 /nfs/dbraw/zinc/84/98/34/363849834.db2.gz YQPICVQGUVLTHR-ZIAGYGMSSA-N 2 0 296.459 1.643 10 0 CDAERP COC[C@H](C)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000187650492 364797160 /nfs/dbraw/zinc/79/71/60/364797160.db2.gz CEBTWTVYDXDEOA-CQSZACIVSA-N 2 0 292.427 1.206 10 0 CDAERP CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)CC)[C@@H]1CCCCO1 ZINC000653873632 412743889 /nfs/dbraw/zinc/74/38/89/412743889.db2.gz SWBBFMXJAJAJAW-IHRRRGAJSA-N 2 0 258.406 1.236 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000626976928 367120222 /nfs/dbraw/zinc/12/02/22/367120222.db2.gz RPSHVKDKYIIXQW-QWHCGFSZSA-N 2 0 270.421 1.158 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)NCCC2CC[NH+](C)CC2)C[NH2+]1 ZINC000626968814 367103947 /nfs/dbraw/zinc/10/39/47/367103947.db2.gz LOLPQVVXPTUTNO-OCCSQVGLSA-N 2 0 282.432 1.158 10 0 CDAERP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000415006808 241512992 /nfs/dbraw/zinc/51/29/92/241512992.db2.gz ALCVHKUPAIQLJZ-CYBMUJFWSA-N 2 0 273.384 1.874 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627038642 367280397 /nfs/dbraw/zinc/28/03/97/367280397.db2.gz PMMQMIUMBNPDTR-RDBSUJKOSA-N 2 0 284.448 1.547 10 0 CDAERP O=C(NC1CC([NH+]2CCCCC2)C1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000357894745 367285113 /nfs/dbraw/zinc/28/51/13/367285113.db2.gz GKGUDLPHZMOZGI-AVVWSFFYSA-N 2 0 291.439 1.746 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000227137473 367388214 /nfs/dbraw/zinc/38/82/14/367388214.db2.gz CSMUCIDRVPGABI-BFHYXJOUSA-N 2 0 276.380 1.934 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000627158786 367587113 /nfs/dbraw/zinc/58/71/13/367587113.db2.gz DTHHIQMPJSQTIM-SOUVJXGZSA-N 2 0 294.443 1.301 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000627164638 367596982 /nfs/dbraw/zinc/59/69/82/367596982.db2.gz GGRDBXKOAYMEGY-BARDWOONSA-N 2 0 294.443 1.253 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000416999340 242257878 /nfs/dbraw/zinc/25/78/78/242257878.db2.gz CASRJYTVPCUWAZ-XQQFMLRXSA-N 2 0 270.421 1.156 10 0 CDAERP CC[NH+](CC)CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000565181816 367643494 /nfs/dbraw/zinc/64/34/94/367643494.db2.gz NWRKYDXKTROVJX-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C[NH2+]1 ZINC000627196134 367683127 /nfs/dbraw/zinc/68/31/27/367683127.db2.gz HBPXULJHPQYEMQ-QLFBSQMISA-N 2 0 294.443 1.397 10 0 CDAERP CC(C)[N@@H+]1CCCN(C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627196381 367683888 /nfs/dbraw/zinc/68/38/88/367683888.db2.gz ITYPLLGMNUGKNX-KBPBESRZSA-N 2 0 282.432 1.253 10 0 CDAERP C[C@H]1CC[C@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C[NH2+]1 ZINC000627200893 367693334 /nfs/dbraw/zinc/69/33/34/367693334.db2.gz VDFCFFXVRMQDBP-FQUUOJAGSA-N 2 0 280.416 1.005 10 0 CDAERP CC(C)[NH+](CCNC(=O)C1=CC[C@@H]([NH3+])C1)C(C)C ZINC000638047346 367777893 /nfs/dbraw/zinc/77/78/93/367777893.db2.gz FFQOHRSOBGFJNY-CYBMUJFWSA-N 2 0 253.390 1.269 10 0 CDAERP C[NH2+]C[C@@](C)(O)C[N@H+](C)CCc1ccc(F)cc1 ZINC000567116843 370886119 /nfs/dbraw/zinc/88/61/19/370886119.db2.gz OGSQEYSUARHBHD-CQSZACIVSA-N 2 0 254.349 1.270 10 0 CDAERP CC(C)[NH+]1CCC(N(C)C(=O)C2=CC[C@H]([NH3+])C2)CC1 ZINC000638057946 367867636 /nfs/dbraw/zinc/86/76/36/367867636.db2.gz DXIZSRROQCEOGK-ZDUSSCGKSA-N 2 0 265.401 1.365 10 0 CDAERP CC1(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)CC1 ZINC000567142629 370892835 /nfs/dbraw/zinc/89/28/35/370892835.db2.gz FUGQCSLWEGSNRU-UHFFFAOYSA-N 2 0 251.418 1.593 10 0 CDAERP CC(C)(C[NH2+][C@H]1CCC[C@@H]1[NH3+])C(=O)N1CCCC1 ZINC000530221525 368150644 /nfs/dbraw/zinc/15/06/44/368150644.db2.gz FSBRAYCBXUVKMJ-RYUDHWBXSA-N 2 0 253.390 1.104 10 0 CDAERP COCCNCC[NH2+][C@H](C)Cc1ccn(C(C)C)n1 ZINC000414868797 368361624 /nfs/dbraw/zinc/36/16/24/368361624.db2.gz FENOWMDAZHNRIM-CYBMUJFWSA-N 2 0 268.405 1.221 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C[NH3+])CC(C)C)[C@H](C)C1 ZINC000418421272 243056200 /nfs/dbraw/zinc/05/62/00/243056200.db2.gz BBAJVHSCWNGAOZ-KFWWJZLASA-N 2 0 298.475 1.732 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]([NH3+])c2ccccc2)CC[NH2+]1 ZINC000418442766 243082702 /nfs/dbraw/zinc/08/27/02/243082702.db2.gz DZTHYRCZHDLVDO-KWCYVHTRSA-N 2 0 276.384 1.126 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)NCC2([NH3+])CCC2)cc1 ZINC000418455108 243099469 /nfs/dbraw/zinc/09/94/69/243099469.db2.gz CXEMJVQLNNLISL-LLVKDONJSA-N 2 0 276.384 1.387 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)cc1 ZINC000418466814 243112978 /nfs/dbraw/zinc/11/29/78/243112978.db2.gz RVYLMJUWPWTVDH-AVGNSLFASA-N 2 0 290.411 1.598 10 0 CDAERP CCCN(CC[NH+](CC)CC)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000418566246 243219527 /nfs/dbraw/zinc/21/95/27/243219527.db2.gz ZMGVMDYSIUFMGP-GJZGRUSLSA-N 2 0 298.475 1.748 10 0 CDAERP C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)CCN(C)c1cc[nH+]cc1 ZINC000540925537 368571925 /nfs/dbraw/zinc/57/19/25/368571925.db2.gz WXXGXPPMGKNRMS-KBPBESRZSA-N 2 0 290.411 1.459 10 0 CDAERP C[C@@H](CNC(=O)N(C)CCC[NH+](C)C)[N@@H+]1CCCC[C@@H]1C ZINC000541785431 368679030 /nfs/dbraw/zinc/67/90/30/368679030.db2.gz QCDUPISEZPQIND-GJZGRUSLSA-N 2 0 298.475 1.842 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000638249667 368903277 /nfs/dbraw/zinc/90/32/77/368903277.db2.gz JBPRWTIJLRXOBT-UBHSHLNASA-N 2 0 280.416 1.040 10 0 CDAERP C[C@H]1C[C@@H](NC(=O)N(C)CCC[NH+](C)C)CC[N@@H+]1C ZINC000543674839 368946149 /nfs/dbraw/zinc/94/61/49/368946149.db2.gz LBEBCKWPDCNVKG-STQMWFEESA-N 2 0 270.421 1.062 10 0 CDAERP C[C@@H](CNC(=O)CCN(C)c1cc[nH+]cc1)[N@H+](C)C1CC1 ZINC000543712996 368956227 /nfs/dbraw/zinc/95/62/27/368956227.db2.gz IUFYRZFLEMGCTE-ZDUSSCGKSA-N 2 0 290.411 1.507 10 0 CDAERP [NH3+]CC[C@@H]([NH3+])c1ccc(I)cc1 ZINC000307348102 369093069 /nfs/dbraw/zinc/09/30/69/369093069.db2.gz BUJQBHHMWURKDL-SECBINFHSA-N 2 0 276.121 1.640 10 0 CDAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638284962 369163863 /nfs/dbraw/zinc/16/38/63/369163863.db2.gz JEWAVSFLGYJDTL-XOKHGSTOSA-N 2 0 299.418 1.671 10 0 CDAERP [NH3+][C@@H](c1cn(C[C@H]2CCC[NH2+]2)nn1)c1ccc(F)cc1 ZINC000630605685 369386972 /nfs/dbraw/zinc/38/69/72/369386972.db2.gz MWUAZMAGIWFOAN-TZMCWYRMSA-N 2 0 275.331 1.217 10 0 CDAERP CC(C)CNC(=O)[C@H](C)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000368352849 369446360 /nfs/dbraw/zinc/44/63/60/369446360.db2.gz XYSCFEKUZCFBKT-DZGCQCFKSA-N 2 0 267.417 1.175 10 0 CDAERP CC(C)[C@H](C[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)N1CC[NH+](C)CC1 ZINC000638352986 369502562 /nfs/dbraw/zinc/50/25/62/369502562.db2.gz PWCIVTYYVCFTNY-YVSFHVDLSA-N 2 0 279.472 1.894 10 0 CDAERP C[C@H](C(=O)N1CC[N@@H+]2CCC[C@H]2C1)[C@H]([NH3+])c1ccccc1 ZINC000246440962 370072601 /nfs/dbraw/zinc/07/26/01/370072601.db2.gz DSKMTOLMXSZVMJ-BPUTZDHNSA-N 2 0 287.407 1.629 10 0 CDAERP Cc1cc(C)c(CNC(=O)N[C@H](C)[C@@H](C)[NH3+])cn1 ZINC000418271204 370377133 /nfs/dbraw/zinc/37/71/33/370377133.db2.gz VLWLEAXGXNKLGH-GHMZBOCLSA-N 2 0 250.346 1.233 10 0 CDAERP CC(C)n1ccc(C[C@@H](C)[NH2+][C@H]2CC[NH2+]C[C@H]2C)n1 ZINC000414935306 370605071 /nfs/dbraw/zinc/60/50/71/370605071.db2.gz FSQCYPMKNMSHPY-NFAWXSAZSA-N 2 0 264.417 1.983 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)NC(C)(C)CC[NH3+])cc1 ZINC000422612473 245134878 /nfs/dbraw/zinc/13/48/78/245134878.db2.gz UULJRTDKNANHRU-NSHDSACASA-N 2 0 278.400 1.633 10 0 CDAERP [NH3+]C[C@@H](C(=O)NCC[N@H+]1CC=CCC1)c1ccc(F)cc1 ZINC000565948847 370573945 /nfs/dbraw/zinc/57/39/45/370573945.db2.gz KNBKDJDVSLOOGR-OAHLLOKOSA-N 2 0 291.370 1.246 10 0 CDAERP C(C1CC1)[NH+]1CCC(N[C@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000422700451 245158357 /nfs/dbraw/zinc/15/83/57/245158357.db2.gz BWPYGJNOXIXANM-IAGOWNOFSA-N 2 0 293.455 1.217 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000422701778 245158929 /nfs/dbraw/zinc/15/89/29/245158929.db2.gz JHLJXDPTNULYDD-AWEZNQCLSA-N 2 0 294.395 1.691 10 0 CDAERP CC[C@H](O)C[NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000566106467 370611487 /nfs/dbraw/zinc/61/14/87/370611487.db2.gz QSWJBMIENOPQCT-HNNXBMFYSA-N 2 0 292.427 1.084 10 0 CDAERP COc1ccc(OC)c([C@@H](C)N[C@H](C)C2C[NH2+]C2)c1 ZINC000422774622 245241118 /nfs/dbraw/zinc/24/11/18/245241118.db2.gz XUEXEWBYGVPOCC-GHMZBOCLSA-N 2 0 264.369 1.962 10 0 CDAERP Cc1ccc(CC[C@H](C)[NH2+]C[C@H](O)CN(C)C2CC2)o1 ZINC000567690503 371102138 /nfs/dbraw/zinc/10/21/38/371102138.db2.gz CQHFPNIPUCTXPJ-WFASDCNBSA-N 2 0 280.412 1.954 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1cc(OC)ccc1OC ZINC000422808931 245282394 /nfs/dbraw/zinc/28/23/94/245282394.db2.gz QXEGKYGRHNGKNJ-ZDUSSCGKSA-N 2 0 282.384 1.547 10 0 CDAERP CC[N@H+](CC(=O)NC1CC([NH+]2CCCCC2)C1)C1CC1 ZINC000376567599 371274756 /nfs/dbraw/zinc/27/47/56/371274756.db2.gz XSTHGYLIUXLAEB-UHFFFAOYSA-N 2 0 279.428 1.604 10 0 CDAERP C[C@H]([NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000423092424 299425982 /nfs/dbraw/zinc/42/59/82/299425982.db2.gz BVIQRGMXQUARKJ-FZKCQIBNSA-N 2 0 293.455 1.898 10 0 CDAERP C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)C1CC[NH+](C2CC2)CC1 ZINC000192784645 372048943 /nfs/dbraw/zinc/04/89/43/372048943.db2.gz OFRCVRGAOGDTIO-CHWSQXEVSA-N 2 0 279.428 1.412 10 0 CDAERP C[C@@H]1C[NH+](CC2CC[NH+](C[C@@H]3CCCO3)CC2)C[C@@H](C)O1 ZINC000171305211 372156890 /nfs/dbraw/zinc/15/68/90/372156890.db2.gz CIRUFIINFQZGRO-INMHGKMJSA-N 2 0 296.455 1.987 10 0 CDAERP CC(C)[NH2+]CCC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000582543994 372340791 /nfs/dbraw/zinc/34/07/91/372340791.db2.gz MJHZDAMEGJXTMC-OKILXGFUSA-N 2 0 269.433 1.754 10 0 CDAERP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)C1C[NH2+]C1 ZINC000578313989 372385530 /nfs/dbraw/zinc/38/55/30/372385530.db2.gz MBAWZYKYBOLEDP-NWDGAFQWSA-N 2 0 271.368 1.526 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H](CO)Cc1ccccc1C ZINC000423053878 245526872 /nfs/dbraw/zinc/52/68/72/245526872.db2.gz BENOFSWTVQQNKR-HOTGVXAUSA-N 2 0 280.412 1.242 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000333165596 205085910 /nfs/dbraw/zinc/08/59/10/205085910.db2.gz HHHDHDFCMCOEAT-AWEZNQCLSA-N 2 0 282.432 1.301 10 0 CDAERP CC[N@@H+]1CC[C@@H](CNC(=O)C2CC[NH+](C3CC3)CC2)C1 ZINC000194351842 372858122 /nfs/dbraw/zinc/85/81/22/372858122.db2.gz KBNVJLQNVGJDJV-ZDUSSCGKSA-N 2 0 279.428 1.319 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CC(C)(C)c1cccnc1 ZINC000423194151 245652026 /nfs/dbraw/zinc/65/20/26/245652026.db2.gz WOLKOMLRMJVYCF-AWEZNQCLSA-N 2 0 265.401 1.703 10 0 CDAERP C[C@@H]1C[C@H](NC(=[NH2+])NCc2ccccc2)CC[N@@H+]1C ZINC000307494115 372968666 /nfs/dbraw/zinc/96/86/66/372968666.db2.gz FFRFDIQZBVDTCF-TZMCWYRMSA-N 2 0 260.385 1.783 10 0 CDAERP C[N@@H+]1CC[C@@H](NC(=O)N2CC[C@@H]([NH3+])C2)[C@@H]1c1ccccc1 ZINC000333510745 205388869 /nfs/dbraw/zinc/38/88/69/205388869.db2.gz FJJNTLCPXJVXTL-KFWWJZLASA-N 2 0 288.395 1.174 10 0 CDAERP C[N@@H+]1CC[C@@H](c2nc(-c3ccc(C[NH3+])cc3)no2)C1 ZINC000581666640 373159482 /nfs/dbraw/zinc/15/94/82/373159482.db2.gz RCCFCDPRMWCHAO-GFCCVEGCSA-N 2 0 258.325 1.614 10 0 CDAERP C[NH2+]C(C)(C)CNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000341252787 373500201 /nfs/dbraw/zinc/50/02/01/373500201.db2.gz GABJSPYHQAOAKU-UHFFFAOYSA-N 2 0 278.400 1.868 10 0 CDAERP C[NH2+]CCC1CC[NH+]([C@@H]2CCN(C3CCC3)C2=O)CC1 ZINC000631823846 373709099 /nfs/dbraw/zinc/70/90/99/373709099.db2.gz OXDXQLKYXCSKMO-OAHLLOKOSA-N 2 0 279.428 1.461 10 0 CDAERP [NH3+]CCC[N@@H+](Cc1ccccc1)C[C@H]1CCc2ncnn21 ZINC000631825700 373710728 /nfs/dbraw/zinc/71/07/28/373710728.db2.gz QTUXVGIOSVVTRP-OAHLLOKOSA-N 2 0 285.395 1.616 10 0 CDAERP C[C@H]1[NH2+]CC[C@@H]1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000573441941 294818308 /nfs/dbraw/zinc/81/83/08/294818308.db2.gz PUEHUVLNGYWQKY-RYSNWHEDSA-N 2 0 265.401 1.118 10 0 CDAERP OCCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000303386585 374423710 /nfs/dbraw/zinc/42/37/10/374423710.db2.gz APCKXOMCUICFOT-HNNXBMFYSA-N 2 0 254.418 1.957 10 0 CDAERP CC(C)[NH+]1CCC([NH2+][C@H](CO)C[C@H](O)C(C)(C)C)CC1 ZINC000342815016 374601667 /nfs/dbraw/zinc/60/16/67/374601667.db2.gz ONSQKUOGJOZEDC-GJZGRUSLSA-N 2 0 286.460 1.607 10 0 CDAERP CC(C)[C@@H](CN[C@@H]1CCC[NH2+]CC1)[NH+]1CCCC1 ZINC000128920519 375163218 /nfs/dbraw/zinc/16/32/18/375163218.db2.gz CWERFXPDSRVYDW-HUUCEWRRSA-N 2 0 253.434 1.839 10 0 CDAERP CC(C)C[C@@H]([NH3+])CN1CC[NH+](C2CCCC2)CC1 ZINC000052063766 375596735 /nfs/dbraw/zinc/59/67/35/375596735.db2.gz MNQDTYDQPRYWKR-CQSZACIVSA-N 2 0 253.434 1.920 10 0 CDAERP C[NH+](C)CC=C=C[C@]1(O)CC[N@H+](C)[C@@H]2CCCC[C@@H]21 ZINC000255998546 190000869 /nfs/dbraw/zinc/00/08/69/190000869.db2.gz RBCCPYSVVLUODL-LRELKFBASA-N 2 0 264.413 1.885 10 0 CDAERP OCC[C@@H]1CSCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420294581 376322097 /nfs/dbraw/zinc/32/20/97/376322097.db2.gz BHIMRAKRARMIMO-QWHCGFSZSA-N 2 0 258.431 1.176 10 0 CDAERP CCCCNC(=O)CC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420390958 376346410 /nfs/dbraw/zinc/34/64/10/376346410.db2.gz ICDUNDVCVVLYFA-CABCVRRESA-N 2 0 281.444 1.757 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)Cc2cc(C)n[nH]2)[C@@H](C)C1 ZINC000246308050 376622291 /nfs/dbraw/zinc/62/22/91/376622291.db2.gz DNIQLQNKGIBCDC-HUBLWGQQSA-N 2 0 264.417 1.969 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)C[C@H]1CCC(F)(F)C1 ZINC000631830163 376669423 /nfs/dbraw/zinc/66/94/23/376669423.db2.gz LMJHQYZXJVYOSY-NSHDSACASA-N 2 0 250.333 1.590 10 0 CDAERP C[C@@H]1C[N@H+](Cc2cccc3c2CCOC3)C[C@H]1C[NH3+] ZINC000631837708 376686905 /nfs/dbraw/zinc/68/69/05/376686905.db2.gz WLQCEDJMVOMYCC-IUODEOHRSA-N 2 0 260.381 1.786 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](CC)[C@H](C)C2)CC[N@@H+]1C ZINC000632092899 376999848 /nfs/dbraw/zinc/99/98/48/376999848.db2.gz NPHRVWALJAULBC-HZSPNIEDSA-N 2 0 267.417 1.269 10 0 CDAERP O=C(N[C@@H]1CC[NH2+]C1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000334932794 377696588 /nfs/dbraw/zinc/69/65/88/377696588.db2.gz YECJXMHRZSPPRE-ZIAGYGMSSA-N 2 0 280.416 1.008 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000334910787 377686845 /nfs/dbraw/zinc/68/68/45/377686845.db2.gz YXRFQTKDKACANX-STQMWFEESA-N 2 0 282.432 1.382 10 0 CDAERP CN(C(=O)N[C@H](C[NH3+])C1CCCC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000572263052 377811346 /nfs/dbraw/zinc/81/13/46/377811346.db2.gz AFKFFCMUSMRMQI-LSDHHAIUSA-N 2 0 294.443 1.382 10 0 CDAERP C[C@H]([NH3+])[C@H]1CCN(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000417536628 377898484 /nfs/dbraw/zinc/89/84/84/377898484.db2.gz QSUFOMRLMVPOPY-XGUBFFRZSA-N 2 0 296.459 1.628 10 0 CDAERP O=C(c1ccc2nccn2c1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000632861900 377939119 /nfs/dbraw/zinc/93/91/19/377939119.db2.gz VQKQSNXHFMTDCM-OCCSQVGLSA-N 2 0 284.363 1.548 10 0 CDAERP CC[NH+](CC)[C@@H](CNC(=O)CC[C@H](C)[NH3+])CC(C)C ZINC000193294848 378286660 /nfs/dbraw/zinc/28/66/60/378286660.db2.gz HCVUDNIZLZGVRY-UONOGXRCSA-N 2 0 271.449 1.987 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CCCF ZINC001662314326 1172527903 /nfs/dbraw/zinc/52/79/03/1172527903.db2.gz JPVDTFWCUXGXDY-AVGNSLFASA-N 2 0 273.396 1.171 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](CO)C1CCC1 ZINC000657558909 412895794 /nfs/dbraw/zinc/89/57/94/412895794.db2.gz UDLYTPZZKVGPNQ-MRXNPFEDSA-N 2 0 286.379 1.826 10 0 CDAERP C[NH+](C)CCC[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000662326819 412897332 /nfs/dbraw/zinc/89/73/32/412897332.db2.gz CUWGCMJGBSOIRN-HZPDHXFCSA-N 3 0 283.460 1.419 10 0 CDAERP Cc1nc(F)ccc1C[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000278586144 194057325 /nfs/dbraw/zinc/05/73/25/194057325.db2.gz ZBVUVKZLFMEDEK-LBPRGKRZSA-N 2 0 280.391 1.255 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@H](C)[C@@H]1CO ZINC000443859117 250057522 /nfs/dbraw/zinc/05/75/22/250057522.db2.gz WTBKDGLPYLYMMT-LRDDRELGSA-N 2 0 286.379 1.778 10 0 CDAERP CC[NH+](CC)[C@@H](C)CNC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000187796160 284760741 /nfs/dbraw/zinc/76/07/41/284760741.db2.gz DMDSXZFKVSXYBU-UONOGXRCSA-N 2 0 284.448 1.310 10 0 CDAERP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@H]2CCCC[NH2+]2)cc1 ZINC000634269949 379277780 /nfs/dbraw/zinc/27/77/80/379277780.db2.gz KGNAGNZPHRYVKV-SWLSCSKDSA-N 2 0 290.411 1.648 10 0 CDAERP CC(C)[C@H]1CN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@@H+]1C ZINC000634300852 379358146 /nfs/dbraw/zinc/35/81/46/379358146.db2.gz NEQWUBYCJSWRTD-WTXIUTQJSA-N 2 0 293.455 1.706 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)C[C@H]1CC[NH2+]C1)c1cccs1 ZINC000089746642 483130453 /nfs/dbraw/zinc/13/04/53/483130453.db2.gz CGLRFQYVUCOXPZ-VXGBXAGGSA-N 2 0 281.425 1.467 10 0 CDAERP CC(C)CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001662729234 1172586855 /nfs/dbraw/zinc/58/68/55/1172586855.db2.gz ZBIWBQCKKNYDJI-HNNXBMFYSA-N 2 0 283.460 1.811 10 0 CDAERP COC1(CO)CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000655948353 412959042 /nfs/dbraw/zinc/95/90/42/412959042.db2.gz YLYCXCJZLOQNHX-UHFFFAOYSA-N 2 0 290.407 1.306 10 0 CDAERP CC(C)[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001662918936 1172615091 /nfs/dbraw/zinc/61/50/91/1172615091.db2.gz LUTSETZEXQABRN-KBPBESRZSA-N 2 0 269.433 1.752 10 0 CDAERP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)C2(OC)CCOCC2)C1 ZINC000453099168 252269142 /nfs/dbraw/zinc/26/91/42/252269142.db2.gz QKRUFSIBZTZPST-CABCVRRESA-N 2 0 284.444 1.892 10 0 CDAERP CC[C@@H](Cn1cncn1)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453419351 252315829 /nfs/dbraw/zinc/31/58/29/252315829.db2.gz YWEMCXBCTQOQJZ-ZDUSSCGKSA-N 2 0 265.405 1.521 10 0 CDAERP C[NH2+]CCC1CCN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000655969887 412983324 /nfs/dbraw/zinc/98/33/24/412983324.db2.gz BZHZCCOFDTZYEZ-GASCZTMLSA-N 2 0 296.459 1.358 10 0 CDAERP CC(C)[N@H+](C)CCCCNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000081018358 177755742 /nfs/dbraw/zinc/75/57/42/177755742.db2.gz LBJRPGNEFWEDMZ-AWEZNQCLSA-N 2 0 269.433 1.755 10 0 CDAERP C[N@H+](CCC(=O)N1CC[C@@H]2C[NH+](C)C[C@@H]21)C1CCCCC1 ZINC000646912078 390295722 /nfs/dbraw/zinc/29/57/22/390295722.db2.gz MTMFOOYEPKUPRU-ZBFHGGJFSA-N 2 0 293.455 1.804 10 0 CDAERP Cc1cc(N[C@H]2CCc3nc[nH]c3C2)nc(C2CC2)n1 ZINC000370859016 390604704 /nfs/dbraw/zinc/60/47/04/390604704.db2.gz CLUKTLXWIIEEMA-NSHDSACASA-N 2 0 269.352 1.777 10 0 CDAERP C[N@@H+]1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)C2(CCCCC2)C1 ZINC000246244350 390925368 /nfs/dbraw/zinc/92/53/68/390925368.db2.gz JEEJTUWVXZUCPH-UONOGXRCSA-N 2 0 279.428 1.591 10 0 CDAERP CCc1cccc(F)c1C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647492539 390969379 /nfs/dbraw/zinc/96/93/79/390969379.db2.gz IDMADSZEKSEWNN-UHFFFAOYSA-N 2 0 279.403 1.725 10 0 CDAERP CN(C)C(=O)CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000368610431 391037030 /nfs/dbraw/zinc/03/70/30/391037030.db2.gz AHHAGRLSXIGALB-BFHYXJOUSA-N 2 0 267.417 1.317 10 0 CDAERP CC(C)C[C@@H]([NH3+])CN(C)C(C)(C)CN1CCOCC1 ZINC000415134058 391047764 /nfs/dbraw/zinc/04/77/64/391047764.db2.gz DJGKBHZINDPHFA-CQSZACIVSA-N 2 0 271.449 1.402 10 0 CDAERP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1CCC[NH+]1CCCCC1 ZINC000419345638 391058225 /nfs/dbraw/zinc/05/82/25/391058225.db2.gz UJWHLSAJIRXMIT-HOTGVXAUSA-N 2 0 283.460 1.249 10 0 CDAERP CN(C)CC[NH+]1CCC(C[NH2+]Cc2cocn2)CC1 ZINC000192307983 391065946 /nfs/dbraw/zinc/06/59/46/391065946.db2.gz KKXIUKJDAFYEQN-UHFFFAOYSA-N 2 0 266.389 1.038 10 0 CDAERP C(C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000647902724 391200159 /nfs/dbraw/zinc/20/01/59/391200159.db2.gz BMZRUOLKRFEEHO-WCXIOVBPSA-N 2 0 293.455 1.314 10 0 CDAERP CCN(C)C(=O)CC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647904071 391201594 /nfs/dbraw/zinc/20/15/94/391201594.db2.gz VXBPECAQZCZFME-UONOGXRCSA-N 2 0 267.417 1.319 10 0 CDAERP C[N@@H+]1CCC[C@H](CCNC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000418295893 391284277 /nfs/dbraw/zinc/28/42/77/391284277.db2.gz RXBVOQHYCFSUGU-KFWWJZLASA-N 2 0 294.443 1.112 10 0 CDAERP C[C@@H]1CC[NH2+][C@H](C(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000417821452 391487345 /nfs/dbraw/zinc/48/73/45/391487345.db2.gz ZAKPLALPWKDXLD-HIFRSBDPSA-N 2 0 290.411 1.066 10 0 CDAERP CN(C(=O)N[C@@H]1CCCC[C@H]1C[NH3+])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000418412251 391510128 /nfs/dbraw/zinc/51/01/28/391510128.db2.gz PWZMYCRWWVQBAR-AEGPPILISA-N 2 0 294.443 1.382 10 0 CDAERP CC[C@H]([NH3+])CNC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000417533334 391639969 /nfs/dbraw/zinc/63/99/69/391639969.db2.gz MHEXIFRHMVJVCE-AVGNSLFASA-N 2 0 270.421 1.286 10 0 CDAERP C[C@@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)[NH+](C)C1CC1 ZINC000350028426 391592713 /nfs/dbraw/zinc/59/27/13/391592713.db2.gz VHURALBEINKYHN-SWLSCSKDSA-N 2 0 294.443 1.347 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000417580140 391680980 /nfs/dbraw/zinc/68/09/80/391680980.db2.gz CNHBYERGMJYAIM-GJZGRUSLSA-N 2 0 294.443 1.397 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000335396856 391704349 /nfs/dbraw/zinc/70/43/49/391704349.db2.gz VBQRVFZVASDHGT-GDBMZVCRSA-N 2 0 279.428 1.461 10 0 CDAERP Fc1cccc(C2([NH2+]CCN3CC[NH2+]CC3)CCC2)c1 ZINC000647996320 391750733 /nfs/dbraw/zinc/75/07/33/391750733.db2.gz RSTSIIPYOBPAIC-UHFFFAOYSA-N 2 0 277.387 1.700 10 0 CDAERP COC[C@H](CC1CCOCC1)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000657835451 413050497 /nfs/dbraw/zinc/05/04/97/413050497.db2.gz PXFIGEPLUOULEN-CVEARBPZSA-N 2 0 296.455 1.892 10 0 CDAERP CC[NH+]1CCC(CNC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)CC1 ZINC000520374615 391788708 /nfs/dbraw/zinc/78/87/08/391788708.db2.gz LDRNDNHQUYWHET-OAHLLOKOSA-N 2 0 294.443 1.254 10 0 CDAERP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000418207790 391811326 /nfs/dbraw/zinc/81/13/26/391811326.db2.gz VBVWBMVIEVIBAU-SRVKXCTJSA-N 2 0 258.410 1.142 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@@H]1CCC[NH+]1C1CC1 ZINC000426407808 391858517 /nfs/dbraw/zinc/85/85/17/391858517.db2.gz WXYNQFPXMHCOCX-LZWOXQAQSA-N 2 0 293.455 1.992 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CCC[NH+]2C[C@H]1C ZINC000247486692 391900687 /nfs/dbraw/zinc/90/06/87/391900687.db2.gz TXHREFINZXSWIQ-OLZOCXBDSA-N 2 0 253.390 1.022 10 0 CDAERP C[NH+]1CCC2(CC1)C[N@H+](C[C@@H](O)CC1CCCC1)CCO2 ZINC000646106171 392014296 /nfs/dbraw/zinc/01/42/96/392014296.db2.gz QUXOAAOJOALSBQ-INIZCTEOSA-N 2 0 296.455 1.724 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)N1C[C@@H](C[NH+](C)C)Oc2ccccc21 ZINC000649347408 392079751 /nfs/dbraw/zinc/07/97/51/392079751.db2.gz WDIRKJHTMJSHHN-CHWSQXEVSA-N 2 0 291.395 1.470 10 0 CDAERP Cc1nccn1CCC[N@@H+](C)[C@H]1CC[C@H](O)CC1 ZINC000439300015 392050069 /nfs/dbraw/zinc/05/00/69/392050069.db2.gz XQUFKLRBOQFRLR-HDJSIYSDSA-N 2 0 251.374 1.817 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000080715610 392241621 /nfs/dbraw/zinc/24/16/21/392241621.db2.gz ILLYNWLZLGTYNN-AGUYFDCRSA-N 2 0 267.417 1.458 10 0 CDAERP COC(=O)C1(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)CC1 ZINC000448520454 392212700 /nfs/dbraw/zinc/21/27/00/392212700.db2.gz JRYDWLZVFHMZLI-CYBMUJFWSA-N 2 0 268.401 1.746 10 0 CDAERP CCOC[C@H](C)[NH2+][C@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000423064308 392310731 /nfs/dbraw/zinc/31/07/31/392310731.db2.gz QXBPMPPOBOAQMQ-QWHCGFSZSA-N 2 0 286.416 1.322 10 0 CDAERP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@@](C)(O)C1CCCCC1 ZINC000423069958 392314252 /nfs/dbraw/zinc/31/42/52/392314252.db2.gz FMDWKFCHTDKRQI-ARLBYUKCSA-N 2 0 284.444 1.660 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H](CO)Cc1ccc(F)c(F)c1 ZINC000423071392 392315765 /nfs/dbraw/zinc/31/57/65/392315765.db2.gz HSTDHOZWFNRICQ-DMDPSCGWSA-N 2 0 286.366 1.831 10 0 CDAERP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCn1ccnn1 ZINC000423031495 392286753 /nfs/dbraw/zinc/28/67/53/392286753.db2.gz LCBITGRGXNZTBM-ZFWWWQNUSA-N 2 0 273.384 1.216 10 0 CDAERP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCn1ccnn1 ZINC000423031494 392287447 /nfs/dbraw/zinc/28/74/47/392287447.db2.gz LCBITGRGXNZTBM-UKRRQHHQSA-N 2 0 273.384 1.216 10 0 CDAERP C[C@H](CCN[C@@H](C1CC1)[C@H]1C[NH2+]CCO1)[NH+]1CCCCC1 ZINC000423033616 392289555 /nfs/dbraw/zinc/28/95/55/392289555.db2.gz OTBRHHNUOQCQET-OIISXLGYSA-N 2 0 295.471 1.608 10 0 CDAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000423103652 392346100 /nfs/dbraw/zinc/34/61/00/392346100.db2.gz XSNLJGFELJZALM-RFQIPJPRSA-N 2 0 268.401 1.696 10 0 CDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000529356606 392357786 /nfs/dbraw/zinc/35/77/86/392357786.db2.gz FUYVVXHGJKZDOM-ZIAGYGMSSA-N 2 0 294.443 1.397 10 0 CDAERP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H](CO)c1cccnc1 ZINC000423126753 392366086 /nfs/dbraw/zinc/36/60/86/392366086.db2.gz OTFDFTPMAPBXCT-QGTPRVQTSA-N 2 0 299.418 1.706 10 0 CDAERP C[C@H](Nc1ccc(N2CC[NH2+]CC2)cn1)c1c[nH+]ccc1N ZINC000423234460 392460278 /nfs/dbraw/zinc/46/02/78/392460278.db2.gz PKGNSLWDAXNGAM-LBPRGKRZSA-N 2 0 298.394 1.472 10 0 CDAERP CC(C)([NH3+])CC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000645889277 392472167 /nfs/dbraw/zinc/47/21/67/392472167.db2.gz AYZULLRBVQVHTQ-UHFFFAOYSA-N 2 0 259.313 1.333 10 0 CDAERP CCSCC[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000438181154 392545856 /nfs/dbraw/zinc/54/58/56/392545856.db2.gz DOLSBKNIKVQZKS-UHFFFAOYSA-N 2 0 273.490 1.603 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N(C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000174630276 392669197 /nfs/dbraw/zinc/66/91/97/392669197.db2.gz DFTJQKWNJNPSOY-RRFJBIMHSA-N 2 0 298.475 1.841 10 0 CDAERP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2COC3(CCC3)C2)CC1 ZINC000657837506 413053759 /nfs/dbraw/zinc/05/37/59/413053759.db2.gz SSNHIOGXEYPTCA-LSDHHAIUSA-N 2 0 281.444 1.314 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CC[C@H](C[NH3+])C1 ZINC000646670337 392641456 /nfs/dbraw/zinc/64/14/56/392641456.db2.gz XGTRLYKTRADCOO-OLZOCXBDSA-N 2 0 253.390 1.058 10 0 CDAERP C[C@@H](Cc1ccoc1)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000449299388 392758502 /nfs/dbraw/zinc/75/85/02/392758502.db2.gz AHQURYDYDJXWFM-AWEZNQCLSA-N 2 0 279.428 1.826 10 0 CDAERP CC[N@H+](CC(=O)N1CCC([NH+](C)C)CC1)C1CC1 ZINC000132275972 393095828 /nfs/dbraw/zinc/09/58/28/393095828.db2.gz MRDDOWLEMBKODD-UHFFFAOYSA-N 2 0 253.390 1.023 10 0 CDAERP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCCC[C@H]2C)CC[N@@H+]1C ZINC000648735257 393220497 /nfs/dbraw/zinc/22/04/97/393220497.db2.gz HSAWOWPWFXRQDK-MGPQQGTHSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@@H]1CC[C@](CO)([N@H+](C)CC[C@@H]2CCC[NH+]2C)C1 ZINC000495211257 393207788 /nfs/dbraw/zinc/20/77/88/393207788.db2.gz IAQGISGMZFIOHH-ILXRZTDVSA-N 2 0 254.418 1.954 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@@H](O)COCc2cccs2)C1 ZINC000656153446 413060469 /nfs/dbraw/zinc/06/04/69/413060469.db2.gz RYXPPIBMCZPYHG-HZSPNIEDSA-N 2 0 298.452 1.555 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+][C@H]2CCCSCC2)CC1 ZINC000657891013 413073683 /nfs/dbraw/zinc/07/36/83/413073683.db2.gz YDSBOFZWKNXFPI-LBPRGKRZSA-N 2 0 258.431 1.318 10 0 CDAERP CC[N@@H+]1CC[C@@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000037644292 134847324 /nfs/dbraw/zinc/84/73/24/134847324.db2.gz XHXDOAKURZEZPL-HNNXBMFYSA-N 3 0 288.439 1.982 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC000178210900 140001671 /nfs/dbraw/zinc/00/16/71/140001671.db2.gz YLAWQBHAMUCCBU-GDBMZVCRSA-N 2 0 293.455 1.851 10 0 CDAERP FC(F)COCC[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000188767944 140101550 /nfs/dbraw/zinc/10/15/50/140101550.db2.gz VYZLTFUZMGHXFK-UHFFFAOYSA-N 2 0 299.365 1.917 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1cc(F)ccc1F ZINC000234793702 140231882 /nfs/dbraw/zinc/23/18/82/140231882.db2.gz APZQMPGUBIXKKJ-LBPRGKRZSA-N 2 0 258.312 1.808 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)CC1CC[NH2+]CC1 ZINC000237677469 140256214 /nfs/dbraw/zinc/25/62/14/140256214.db2.gz SXKBVWBRBNQAJC-CYBMUJFWSA-N 2 0 267.417 1.367 10 0 CDAERP CC[N@@H+]1CC[C@H](CN[C@@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000250192547 140302299 /nfs/dbraw/zinc/30/22/99/140302299.db2.gz ALXGZRFIVIYLRC-KFWWJZLASA-N 2 0 251.418 1.545 10 0 CDAERP C[C@@H]1[C@@H](N[C@@H]2CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000261554260 140347455 /nfs/dbraw/zinc/34/74/55/140347455.db2.gz UCWDGXKSJVPHPL-BMFZPTHFSA-N 2 0 259.397 1.601 10 0 CDAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000261795240 140390314 /nfs/dbraw/zinc/39/03/14/140390314.db2.gz QKTLGWWDLGMKEY-OWCLPIDISA-N 2 0 293.455 1.742 10 0 CDAERP CC[C@@]1(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)CCC[NH2+]1 ZINC000261806815 140392070 /nfs/dbraw/zinc/39/20/70/140392070.db2.gz HGIQDCCYRTYEAP-FZMZJTMJSA-N 2 0 253.390 1.104 10 0 CDAERP C[C@H](C[NH2+][C@H]1CCC[C@H]([NH3+])C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656200866 413098713 /nfs/dbraw/zinc/09/87/13/413098713.db2.gz WIWIYHMNVRSLTO-MRLBHPIUSA-N 2 0 269.433 1.344 10 0 CDAERP CC(C)(C)N1CC[C@H]1C[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000658061968 413164650 /nfs/dbraw/zinc/16/46/50/413164650.db2.gz QCLQZFIADNPHSM-RYUDHWBXSA-N 2 0 267.417 1.506 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000136405941 483402406 /nfs/dbraw/zinc/40/24/06/483402406.db2.gz BVBVWDWPHMAQRM-ZIAGYGMSSA-N 2 0 267.417 1.447 10 0 CDAERP CCOC(=O)CC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420392085 397701600 /nfs/dbraw/zinc/70/16/00/397701600.db2.gz IYCSHBUJRGLRMB-CHWSQXEVSA-N 2 0 254.374 1.404 10 0 CDAERP C[NH2+][C@@H](CC(C)(C)C)C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000387557323 397715605 /nfs/dbraw/zinc/71/56/05/397715605.db2.gz WKYDNWACDHQPSU-KBPBESRZSA-N 2 0 281.444 1.563 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](OC)[C@@H]2CCOC2)[C@@H](C)C1 ZINC000658074247 413174789 /nfs/dbraw/zinc/17/47/89/413174789.db2.gz SAEZBNFFPDXYEJ-XGUBFFRZSA-N 2 0 270.417 1.358 10 0 CDAERP COCC1(C[NH2+]C[C@H](O)C[NH+]2CCCCC2)CCC1 ZINC000388883446 397806055 /nfs/dbraw/zinc/80/60/55/397806055.db2.gz DUPGBHOVIHPYQS-AWEZNQCLSA-N 2 0 270.417 1.240 10 0 CDAERP Cc1cc(C)n(CC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000395720351 397878041 /nfs/dbraw/zinc/87/80/41/397878041.db2.gz IQDRKTNLSQISHK-YIONKMFJSA-N 2 0 262.401 1.715 10 0 CDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cncs2)CC1 ZINC000121089955 147357739 /nfs/dbraw/zinc/35/77/39/147357739.db2.gz CYZISFYBXLPKLK-GFCCVEGCSA-N 2 0 283.441 1.668 10 0 CDAERP CN(CC[NH2+]CC1CCCC1)C(=O)C12CCC[NH+]1CCC2 ZINC001664044287 1172805886 /nfs/dbraw/zinc/80/58/86/1172805886.db2.gz VWWYOHYBFSBZJF-UHFFFAOYSA-N 2 0 293.455 1.853 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H](N[C@H](C)[C@@H](C)[NH3+])[C@H](C)C1 ZINC000423448919 286064729 /nfs/dbraw/zinc/06/47/29/286064729.db2.gz QUZKSDZEVNAMNO-TUVASFSCSA-N 2 0 271.449 1.449 10 0 CDAERP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000246984161 148793147 /nfs/dbraw/zinc/79/31/47/148793147.db2.gz RBUYKWHILZBFGT-BFHYXJOUSA-N 2 0 269.433 1.741 10 0 CDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000262115611 149020760 /nfs/dbraw/zinc/02/07/60/149020760.db2.gz WVIJWHONRATTNQ-ZBFHGGJFSA-N 3 0 283.460 1.011 10 0 CDAERP CCC[NH+]1CCC([NH2+][C@@H](CCOC)COC)CC1 ZINC000310894145 149205193 /nfs/dbraw/zinc/20/51/93/149205193.db2.gz ZTOCGYNOMPKLAN-AWEZNQCLSA-N 2 0 258.406 1.502 10 0 CDAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCSC3)cc2)C1 ZINC000658145625 413236483 /nfs/dbraw/zinc/23/64/83/413236483.db2.gz RVGSZXJCFKASGT-HZPDHXFCSA-N 2 0 292.448 1.848 10 0 CDAERP [NH3+][C@H]1CCC[C@@H](NC(=O)N2CCC(c3c[nH]cn3)CC2)C1 ZINC000334925521 150090606 /nfs/dbraw/zinc/09/06/06/150090606.db2.gz USPAGNNNEDSJCZ-QWHCGFSZSA-N 2 0 291.399 1.569 10 0 CDAERP CN(CC[NH2+]Cc1ccccc1F)C(=O)C[NH+]1CCCC1 ZINC001664369856 1172846375 /nfs/dbraw/zinc/84/63/75/1172846375.db2.gz NNHMQONPKJRENB-UHFFFAOYSA-N 2 0 293.386 1.470 10 0 CDAERP [NH3+]C1(CNC(=O)[C@H]2C[C@]23CC[NH2+]C3)CCCCCC1 ZINC000336596749 151661723 /nfs/dbraw/zinc/66/17/23/151661723.db2.gz QNAUGIUDETXJCJ-OCCSQVGLSA-N 2 0 265.401 1.154 10 0 CDAERP COc1c[nH+]ccc1N1CC[NH+](C[C@H](O)C(C)(C)C)CC1 ZINC000343741641 152286754 /nfs/dbraw/zinc/28/67/54/152286754.db2.gz HLJBQFJHRXYKBO-HNNXBMFYSA-N 2 0 293.411 1.619 10 0 CDAERP CC[N@H+](CCNC(=O)NC[C@@H]1CC[NH+]1C(C)(C)C)C1CC1 ZINC000660586345 413266036 /nfs/dbraw/zinc/26/60/36/413266036.db2.gz GGJGRWFNUSFIHO-AWEZNQCLSA-N 2 0 296.459 1.643 10 0 CDAERP C[NH+](C)[C@@H]1C[C@H](CNC(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000654427331 413272960 /nfs/dbraw/zinc/27/29/60/413272960.db2.gz KPOLQEHQSFYTFJ-GASCZTMLSA-N 2 0 296.459 1.358 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C)C12CCC2 ZINC000423392698 286398576 /nfs/dbraw/zinc/39/85/76/286398576.db2.gz LSRBOLSYLFMFQC-YIYPIFLZSA-N 2 0 252.402 1.922 10 0 CDAERP C[NH+](C)[C@H]1CCN(C(=O)[C@H]([NH3+])CC2CCCCC2)C1 ZINC000261563302 289383854 /nfs/dbraw/zinc/38/38/54/289383854.db2.gz ANPSJKKISZUXQQ-UONOGXRCSA-N 2 0 267.417 1.447 10 0 CDAERP CC(C)C[NH+]1CCC(NC(=O)CC2([NH3+])CC2)CC1 ZINC000662674245 413293658 /nfs/dbraw/zinc/29/36/58/413293658.db2.gz XUEISLOVLQABQT-UHFFFAOYSA-N 2 0 253.390 1.104 10 0 CDAERP Cc1nccc(C[NH+]2CCC(CC[NH+](C)C)CC2)n1 ZINC000350658133 154421100 /nfs/dbraw/zinc/42/11/00/154421100.db2.gz KYZMRNBJSAVQRX-UHFFFAOYSA-N 2 0 262.401 1.949 10 0 CDAERP CO[C@@H](C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1)C1CCC1 ZINC000660617794 413299377 /nfs/dbraw/zinc/29/93/77/413299377.db2.gz YXGRFJQRXLNLLN-GJZGRUSLSA-N 2 0 252.402 1.829 10 0 CDAERP CO[C@@H](C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1)C1CCC1 ZINC000660617798 413299903 /nfs/dbraw/zinc/29/99/03/413299903.db2.gz YXGRFJQRXLNLLN-LSDHHAIUSA-N 2 0 252.402 1.829 10 0 CDAERP O=C(C[C@H]1CC[NH2+]C1)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000662684895 413310720 /nfs/dbraw/zinc/31/07/20/413310720.db2.gz LHFZZPOGGDOIOO-DOMZBBRYSA-N 2 0 289.379 1.286 10 0 CDAERP CCC[C@@](C)([NH3+])C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000662686388 413311839 /nfs/dbraw/zinc/31/18/39/413311839.db2.gz DZNZWPAXAAKVLI-GDBMZVCRSA-N 2 0 291.395 1.804 10 0 CDAERP [NH3+]C1(CC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CC1 ZINC000662687481 413315870 /nfs/dbraw/zinc/31/58/70/413315870.db2.gz DADXEWJZVSPOOF-CYBMUJFWSA-N 2 0 265.401 1.345 10 0 CDAERP Cc1cc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)on1 ZINC000353980244 156200642 /nfs/dbraw/zinc/20/06/42/156200642.db2.gz ANWPPSPSCLHINW-VHRBIJSZSA-N 2 0 251.374 1.844 10 0 CDAERP Cc1cc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)on1 ZINC000353980245 156201213 /nfs/dbraw/zinc/20/12/13/156201213.db2.gz ANWPPSPSCLHINW-ZKYQVNSYSA-N 2 0 251.374 1.844 10 0 CDAERP C[N@H+](CCNC(=O)c1cc(C(C)(C)[NH3+])no1)C1CCCC1 ZINC000662721042 413382619 /nfs/dbraw/zinc/38/26/19/413382619.db2.gz PJJQBWWPZKPKLE-UHFFFAOYSA-N 2 0 294.399 1.473 10 0 CDAERP O=C(CC[C@@H]1CC[NH2+]C1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000361969136 159026877 /nfs/dbraw/zinc/02/68/77/159026877.db2.gz WIGIDUBMZIKQKC-ILXRZTDVSA-N 2 0 279.428 1.367 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000662730354 413396979 /nfs/dbraw/zinc/39/69/79/413396979.db2.gz DSDSVZFZKWIAEU-CQSZACIVSA-N 2 0 292.427 1.516 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000374481932 160289859 /nfs/dbraw/zinc/28/98/59/160289859.db2.gz OKKAAQBMELTQCA-UHFFFAOYSA-N 2 0 275.396 1.765 10 0 CDAERP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)CC2([NH3+])CC2)C1 ZINC000662746499 413421698 /nfs/dbraw/zinc/42/16/98/413421698.db2.gz MBJUJJKPRVKLRI-HNNXBMFYSA-N 2 0 287.407 1.601 10 0 CDAERP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662754439 413435868 /nfs/dbraw/zinc/43/58/68/413435868.db2.gz NPWYMBSODKGMHW-FZMZJTMJSA-N 2 0 277.412 1.260 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654569327 413442300 /nfs/dbraw/zinc/44/23/00/413442300.db2.gz GHDILQNAGMZZNX-KFWWJZLASA-N 2 0 298.475 1.746 10 0 CDAERP C[NH+](C)C[C@H]1CCCCN1C(=O)C1CCC([NH3+])CC1 ZINC000405012183 413451968 /nfs/dbraw/zinc/45/19/68/413451968.db2.gz DLJXWNZMWQFJIG-JXQTWKCFSA-N 2 0 267.417 1.447 10 0 CDAERP CC[NH+]1CCN([C@@H](C[NH3+])c2ccc(Cl)cc2)CC1 ZINC000019795693 170868711 /nfs/dbraw/zinc/86/87/11/170868711.db2.gz XTSMULFTLWZAOB-AWEZNQCLSA-N 2 0 267.804 1.977 10 0 CDAERP C[C@H]1C[N@H+](CCCC(=O)Nc2ccccc2C[NH3+])CCO1 ZINC000022151263 171358543 /nfs/dbraw/zinc/35/85/43/171358543.db2.gz GNKQIHLANFSXAQ-ZDUSSCGKSA-N 2 0 291.395 1.585 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000653214246 412142185 /nfs/dbraw/zinc/14/21/85/412142185.db2.gz MVQFZJQYTHMKJM-OAHLLOKOSA-N 2 0 277.412 1.608 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000653175860 412114734 /nfs/dbraw/zinc/11/47/34/412114734.db2.gz DHDWSRLFGZGWML-JKSUJKDBSA-N 2 0 295.471 1.716 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000653214834 412143091 /nfs/dbraw/zinc/14/30/91/412143091.db2.gz DAAJBSRLQRIFCZ-HNNXBMFYSA-N 2 0 289.423 1.800 10 0 CDAERP CCO[C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@H]1C[NH3+] ZINC000653247543 412175088 /nfs/dbraw/zinc/17/50/88/412175088.db2.gz HLZRLLVODSDENF-RBSFLKMASA-N 2 0 297.443 1.073 10 0 CDAERP O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)C1([NH2+]C2CC2)CCC1 ZINC000662819448 413542771 /nfs/dbraw/zinc/54/27/71/413542771.db2.gz FXHMSNCYGMPCBE-ZDUSSCGKSA-N 2 0 277.412 1.452 10 0 CDAERP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662843325 413594297 /nfs/dbraw/zinc/59/42/97/413594297.db2.gz SSUYORNEVPPFDT-SNPRPXQTSA-N 2 0 281.444 1.598 10 0 CDAERP O=C(C[C@H]1CC[NH2+]C1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000662865708 413628250 /nfs/dbraw/zinc/62/82/50/413628250.db2.gz BTLABBXLJYIHOG-FVQBIDKESA-N 2 0 287.407 1.248 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)CC[NH2+]C1CC1 ZINC000664719726 413615667 /nfs/dbraw/zinc/61/56/67/413615667.db2.gz WSSDBRSZEBKBLE-UHFFFAOYSA-N 2 0 255.406 1.365 10 0 CDAERP C[C@@H](CCNC(=O)N1CC2CC1(C[NH3+])C2)[NH+]1CCCCC1 ZINC000659480988 413870975 /nfs/dbraw/zinc/87/09/75/413870975.db2.gz JJDLYQXHMQDVBN-HLIUYOAVSA-N 2 0 294.443 1.384 10 0 CDAERP C[NH2+]C[C@H](C)NC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000659453685 413839045 /nfs/dbraw/zinc/83/90/45/413839045.db2.gz ZKGQEQVGFLAVGO-AVGNSLFASA-N 2 0 270.421 1.156 10 0 CDAERP C[NH2+]C[C@@H](C)NC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000659453687 413839600 /nfs/dbraw/zinc/83/96/00/413839600.db2.gz ZKGQEQVGFLAVGO-UPJWGTAASA-N 2 0 270.421 1.156 10 0 CDAERP C[NH2+]C[C@@H](C)NC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000659522782 413921535 /nfs/dbraw/zinc/92/15/35/413921535.db2.gz FQRQCHRSSBIPJY-GHMZBOCLSA-N 2 0 264.373 1.113 10 0 CDAERP CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]CCN2CCCCC2)C1 ZINC000661215554 413896857 /nfs/dbraw/zinc/89/68/57/413896857.db2.gz NRFWLAPAHVIJQI-BZUAXINKSA-N 2 0 284.444 1.628 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665252012 413980932 /nfs/dbraw/zinc/98/09/32/413980932.db2.gz FAMSEXJDWANGFN-WMHQRMGPSA-N 2 0 261.413 1.848 10 0 CDAERP Cc1cncc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000665274018 414004394 /nfs/dbraw/zinc/00/43/94/414004394.db2.gz ICAHLTTWCSPKKY-HZSPNIEDSA-N 2 0 260.385 1.305 10 0 CDAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)C2CC2)CC1 ZINC000665285614 414024897 /nfs/dbraw/zinc/02/48/97/414024897.db2.gz ROYCAKJMLQRHEE-GFCCVEGCSA-N 2 0 267.417 1.365 10 0 CDAERP C[C@]12C[C@H]1CCC[C@@H]2[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665292711 414036537 /nfs/dbraw/zinc/03/65/37/414036537.db2.gz HZWKSQWFPXFJQD-PUYPPJJSSA-N 2 0 262.357 1.309 10 0 CDAERP COC(=O)CCC[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000037286512 173092591 /nfs/dbraw/zinc/09/25/91/173092591.db2.gz OHATTXSMXFGGMA-CYBMUJFWSA-N 2 0 256.390 1.794 10 0 CDAERP C(NC1=[NH+]CCCN1)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663234460 414068890 /nfs/dbraw/zinc/06/88/90/414068890.db2.gz SSWMTTSZNOOQEU-CYBMUJFWSA-N 2 0 250.390 1.047 10 0 CDAERP CCC[N@H+](C1CC[NH2+]CC1)[C@@H]1CCCCNC1=O ZINC000037538904 173258687 /nfs/dbraw/zinc/25/86/87/173258687.db2.gz PCTLKBKYUAFPRU-CYBMUJFWSA-N 2 0 253.390 1.119 10 0 CDAERP CCC[NH+]1CCC(C[NH2+]Cc2nc(C)c[nH]2)CC1 ZINC000657347531 414205986 /nfs/dbraw/zinc/20/59/86/414205986.db2.gz ASTDUPXEPZXFKI-UHFFFAOYSA-N 2 0 250.390 1.930 10 0 CDAERP NC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657370585 414246223 /nfs/dbraw/zinc/24/62/23/414246223.db2.gz JDLPHYDNUGUKMQ-CHWSQXEVSA-N 2 0 299.378 1.401 10 0 CDAERP CC(C)[NH2+]CCCC(=O)NCCC[NH+]1CCCC1 ZINC000037633142 173581598 /nfs/dbraw/zinc/58/15/98/173581598.db2.gz RYHPGUKJJAPQMH-UHFFFAOYSA-N 2 0 255.406 1.367 10 0 CDAERP CCn1nccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000663472062 414272641 /nfs/dbraw/zinc/27/26/41/414272641.db2.gz WRLNBBKGRJLQGK-RBSFLKMASA-N 2 0 262.401 1.865 10 0 CDAERP C(N[C@@H]1CCCC[NH2+]C1)c1nc2c(s1)C[NH2+]CC2 ZINC000663498446 414295790 /nfs/dbraw/zinc/29/57/90/414295790.db2.gz SSBAFWWFKLWNEK-SNVBAGLBSA-N 2 0 266.414 1.021 10 0 CDAERP COc1ccc(C[C@@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cc1OC ZINC000663497571 414298315 /nfs/dbraw/zinc/29/83/15/414298315.db2.gz HMDAXNWGOXFTPQ-RFSCMCKOSA-N 2 0 290.407 1.976 10 0 CDAERP C(N[C@H]1CCCC[NH2+]C1)c1nc2c(s1)C[NH2+]CC2 ZINC000663498444 414298366 /nfs/dbraw/zinc/29/83/66/414298366.db2.gz SSBAFWWFKLWNEK-JTQLQIEISA-N 2 0 266.414 1.021 10 0 CDAERP COCCCn1nccc1C[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000663502392 414303048 /nfs/dbraw/zinc/30/30/48/414303048.db2.gz HTXYJXCMTGTDOG-CQSZACIVSA-N 2 0 268.405 1.383 10 0 CDAERP CC(C)[C@H](CO)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657465516 414361350 /nfs/dbraw/zinc/36/13/50/414361350.db2.gz RFKXGWQRQQUBSN-ZDUSSCGKSA-N 2 0 274.368 1.621 10 0 CDAERP CC[C@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)OC ZINC000657470007 414365273 /nfs/dbraw/zinc/36/52/73/414365273.db2.gz LSTLBQBPYJUOEL-CQSZACIVSA-N 2 0 260.341 1.782 10 0 CDAERP CCCCN(C)C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000665636502 414325230 /nfs/dbraw/zinc/32/52/30/414325230.db2.gz AOWFCNSKJLKXCS-AWEZNQCLSA-N 2 0 286.464 1.700 10 0 CDAERP C[C@H](C[NH2+]Cc1cnc2n1CCC2)N1C[C@@H](C)O[C@@H](C)C1 ZINC000657504926 414404803 /nfs/dbraw/zinc/40/48/03/414404803.db2.gz QHXYNRHZXIEFIU-MCIONIFRSA-N 2 0 292.427 1.417 10 0 CDAERP CC[NH+](CC)CCN(CC(C)C)C[C@H]1C[NH2+]CCO1 ZINC000662260882 414597255 /nfs/dbraw/zinc/59/72/55/414597255.db2.gz PVYNODPBPSAJNX-OAHLLOKOSA-N 2 0 271.449 1.275 10 0 CDAERP C([C@@H]1CCC2(C[NH2+]C2)O1)N1CC[NH2+]CC12CCCCC2 ZINC000662263688 414599152 /nfs/dbraw/zinc/59/91/52/414599152.db2.gz DCVPUCDCFSTDAR-AWEZNQCLSA-N 2 0 279.428 1.116 10 0 CDAERP C([C@H]1C[NH2+]CCO1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000662262898 414600228 /nfs/dbraw/zinc/60/02/28/414600228.db2.gz YADQJSBOLXHWJM-IAGOWNOFSA-N 2 0 295.471 1.563 10 0 CDAERP COCC[N@@H+](Cc1cccnc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662276665 414606869 /nfs/dbraw/zinc/60/68/69/414606869.db2.gz KXXXOTABFOMZGM-HNNXBMFYSA-N 2 0 291.395 1.051 10 0 CDAERP COC[C@H](C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)OC ZINC000662275006 414607211 /nfs/dbraw/zinc/60/72/11/414607211.db2.gz PGXHYKDGTTWZQS-KBPBESRZSA-N 2 0 256.390 1.112 10 0 CDAERP CC(C)NC(=O)[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000662228751 414576099 /nfs/dbraw/zinc/57/60/99/414576099.db2.gz CINBHXDMOCLWRR-AWEZNQCLSA-N 2 0 267.417 1.223 10 0 CDAERP COc1ccc([C@H](C[NH3+])C[N@@H+]2CC[C@H]3COC[C@@H]3C2)cc1 ZINC000662316173 414635886 /nfs/dbraw/zinc/63/58/86/414635886.db2.gz JBQFYGGIMQKUFD-XHSDSOJGSA-N 2 0 290.407 1.706 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)[NH+]1CCCCC1 ZINC000038029444 174020560 /nfs/dbraw/zinc/02/05/60/174020560.db2.gz HKLRWISKAAEOHR-VGWMRTNUSA-N 2 0 293.455 1.898 10 0 CDAERP O=C1CC[C@H]2C[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)CC[C@@H]2N1 ZINC000662306204 414628827 /nfs/dbraw/zinc/62/88/27/414628827.db2.gz PDIVWBINAWWKFE-RDJZCZTQSA-N 2 0 299.418 1.433 10 0 CDAERP CCC[NH+]1CCC([C@@H](C)[NH2+]C[C@H]2COCCO2)CC1 ZINC000038060788 174071300 /nfs/dbraw/zinc/07/13/00/174071300.db2.gz PSLBFEWMHIBNTO-HIFRSBDPSA-N 2 0 270.417 1.502 10 0 CDAERP CSCC[C@H]([NH3+])C(=O)Nc1c[nH+]ccc1N(C)C ZINC000040462550 174271669 /nfs/dbraw/zinc/27/16/69/174271669.db2.gz VBUAJWWQDJKZAG-VIFPVBQESA-N 2 0 268.386 1.167 10 0 CDAERP CCN1CCC[C@@H]([NH2+][C@@H](C)[C@@H]2CCC[N@H+](C)C2)C1 ZINC000040502616 174298971 /nfs/dbraw/zinc/29/89/71/174298971.db2.gz NSOYAIODPHGQFA-RRFJBIMHSA-N 2 0 253.434 1.791 10 0 CDAERP Cc1ccsc1C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508091 174302544 /nfs/dbraw/zinc/30/25/44/174302544.db2.gz ADBFUBSJEHCTNO-CYBMUJFWSA-N 2 0 293.436 1.453 10 0 CDAERP C[C@@H](c1ccncc1)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508141 174302995 /nfs/dbraw/zinc/30/29/95/174302995.db2.gz UJGDHOYAGXTQNH-DZGCQCFKSA-N 2 0 288.395 1.039 10 0 CDAERP O=C([C@@H]1CCC[N@@H+]1Cc1cccs1)N1CC[NH2+]CC1 ZINC000040508082 174303006 /nfs/dbraw/zinc/30/30/06/174303006.db2.gz WBOVGMZLSHRGBX-ZDUSSCGKSA-N 2 0 279.409 1.144 10 0 CDAERP CC(C)C[C@H](C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508138 174303121 /nfs/dbraw/zinc/30/31/21/174303121.db2.gz RYYOKFANIMRKGC-UONOGXRCSA-N 2 0 267.417 1.317 10 0 CDAERP CC[C@@H](C)[C@@H](C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508183 174303473 /nfs/dbraw/zinc/30/34/73/174303473.db2.gz GGQLYDALQHETCG-MGPQQGTHSA-N 2 0 267.417 1.317 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)NC1CCCCC1 ZINC000040750225 174394713 /nfs/dbraw/zinc/39/47/13/174394713.db2.gz LSYOTUJBLNHAEV-LQDVMPOASA-N 2 0 279.428 1.780 10 0 CDAERP CCC[C@@](C)([NH3+])C(=O)NC[C@@H](C(CC)CC)[NH+](C)C ZINC000040831517 174413108 /nfs/dbraw/zinc/41/31/08/174413108.db2.gz SMDCBRGPYVCPFU-DZGCQCFKSA-N 2 0 271.449 1.987 10 0 CDAERP C[NH+](C)CC1CC[NH+]([C@H]2Cc3ccccc3[C@H]2N)CC1 ZINC000042392787 174707476 /nfs/dbraw/zinc/70/74/76/174707476.db2.gz RHUWZFJFKDMUBB-DLBZAZTESA-N 2 0 273.424 1.885 10 0 CDAERP CC(C)[C@H](C[NH+](C)C)NC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000043512760 175061193 /nfs/dbraw/zinc/06/11/93/175061193.db2.gz NKFYKQTVPFYKIU-JKSUJKDBSA-N 2 0 289.423 1.576 10 0 CDAERP CCOC(=O)C[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000043618134 175080367 /nfs/dbraw/zinc/08/03/67/175080367.db2.gz KUFZQRFNRKFFRN-RYUDHWBXSA-N 2 0 254.374 1.402 10 0 CDAERP C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccc(OC(C)C)cc1 ZINC000043810541 175109843 /nfs/dbraw/zinc/10/98/43/175109843.db2.gz JZUAMEQRULVANG-KRWDZBQOSA-N 2 0 291.439 1.982 10 0 CDAERP CCC[NH2+][C@@H]1CCOC[C@@H]1N1CCC(C[NH+](C)C)CC1 ZINC000043970815 175131888 /nfs/dbraw/zinc/13/18/88/175131888.db2.gz BKQGGYYXQCMOGQ-CVEARBPZSA-N 2 0 283.460 1.417 10 0 CDAERP C[NH2+][C@@H]1CCCC[C@H]1N1CCC(C[NH+](C)C)CC1 ZINC000043970632 175132149 /nfs/dbraw/zinc/13/21/49/175132149.db2.gz KUCNCAYXUXNXNG-HUUCEWRRSA-N 2 0 253.434 1.791 10 0 CDAERP CCC[NH2+][C@H](C)[C@H](C)N(CCOC)[C@@H](C)COC ZINC000043976149 175133088 /nfs/dbraw/zinc/13/30/88/175133088.db2.gz NJRDNTPQTDXVLN-MJBXVCDLSA-N 2 0 260.422 1.746 10 0 CDAERP C[NH+]1CCC(CNC(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000044515142 175190025 /nfs/dbraw/zinc/19/00/25/175190025.db2.gz ZHVJBUKLFBGLDD-UHFFFAOYSA-N 2 0 261.369 1.217 10 0 CDAERP COc1nc2sccn2c1C[NH2+]CC1CC[NH+](C)CC1 ZINC000044516551 175190411 /nfs/dbraw/zinc/19/04/11/175190411.db2.gz VCXPEDVWFMZXCA-UHFFFAOYSA-N 2 0 294.424 1.836 10 0 CDAERP CC[C@@H]1CCN(CC2CC[NH+](CC)CC2)CC[NH2+]1 ZINC000044526831 175191831 /nfs/dbraw/zinc/19/18/31/175191831.db2.gz QKDJDBPBKUVMJM-OAHLLOKOSA-N 2 0 253.434 1.792 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000044564458 175207866 /nfs/dbraw/zinc/20/78/66/175207866.db2.gz KZKNMOADFDEOJF-AJNGGQMLSA-N 2 0 279.428 1.508 10 0 CDAERP CCC[C@H](C[NH3+])C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000044803569 175256300 /nfs/dbraw/zinc/25/63/00/175256300.db2.gz ONTXROYJACNGBC-CQSZACIVSA-N 2 0 281.444 1.838 10 0 CDAERP CC(C)COC[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000045134775 175312481 /nfs/dbraw/zinc/31/24/81/175312481.db2.gz AELWPOLNLAUCOK-GJZGRUSLSA-N 2 0 272.433 1.340 10 0 CDAERP C[NH2+][C@H]1CCN(C[C@@H]2CC[N@@H+](C(C)C)C2)C[C@@H]1C ZINC000045135375 175312593 /nfs/dbraw/zinc/31/25/93/175312593.db2.gz CRSVQABHSUCYKC-KKUMJFAQSA-N 2 0 253.434 1.647 10 0 CDAERP CCC[NH2+][C@](C)(CCCC[N@H+](C)C(C)C)C(N)=O ZINC000045377995 175367722 /nfs/dbraw/zinc/36/77/22/175367722.db2.gz UWJUETOEFRJNJQ-CQSZACIVSA-N 2 0 257.422 1.741 10 0 CDAERP C[N@H+](CCCC[C@@](C)([NH3+])C(N)=O)C1CCCCC1 ZINC000045379067 175368696 /nfs/dbraw/zinc/36/86/96/175368696.db2.gz LZUPEAWOLHNOGU-CQSZACIVSA-N 2 0 255.406 1.624 10 0 CDAERP CCC[NH2+][C@@](C)(CCCC[N@@H+]1CCCN(C)CC1)C(N)=O ZINC000045380365 175369435 /nfs/dbraw/zinc/36/94/35/175369435.db2.gz RUTIKTRQQLJCIY-INIZCTEOSA-N 2 0 298.475 1.038 10 0 CDAERP CC[NH2+][C@](C)(CCCC[N@H+](C)[C@@H](C)C1CC1)C(N)=O ZINC000045392880 175375524 /nfs/dbraw/zinc/37/55/24/175375524.db2.gz HVAWRKWPIZIYMU-SWLSCSKDSA-N 2 0 269.433 1.741 10 0 CDAERP CC(C)[NH2+][C@@](C)(CCC[N@@H+]1CC[C@@H](C)C1)C(N)=O ZINC000045420327 175378820 /nfs/dbraw/zinc/37/88/20/175378820.db2.gz LWUMFTYVOZDAFS-OCCSQVGLSA-N 2 0 255.406 1.350 10 0 CDAERP CCOC(=O)[C@](C)([NH3+])CCC[N@H+](C)[C@@H](C)COC ZINC000045421439 175379704 /nfs/dbraw/zinc/37/97/04/175379704.db2.gz KHRTUOKFGSJBFC-WCQYABFASA-N 2 0 260.378 1.014 10 0 CDAERP CC(C)[NH2+][C@@H](CO)CN1CCC([NH+]2CCCCC2)CC1 ZINC000070513822 175962496 /nfs/dbraw/zinc/96/24/96/175962496.db2.gz DMKALVOZPGIXHJ-OAHLLOKOSA-N 2 0 283.460 1.296 10 0 CDAERP C[C@H](CN1CCC[C@H]([NH2+]C2CC2)C1=O)C[NH+]1CCCC1 ZINC000071031253 176022692 /nfs/dbraw/zinc/02/26/92/176022692.db2.gz QGEFYDGUAWCBJO-ZFWWWQNUSA-N 2 0 279.428 1.461 10 0 CDAERP CCC[NH2+][C@H]1CCN([C@H](C)C[NH+](CC)CC)C1=O ZINC000071034739 176025059 /nfs/dbraw/zinc/02/50/59/176025059.db2.gz NEXDZTAMFDCYQX-OLZOCXBDSA-N 2 0 255.406 1.317 10 0 CDAERP CCC[NH2+][C@@H]1CCCN(CC[N@H+](C)C(C)C)C1=O ZINC000071042537 176028689 /nfs/dbraw/zinc/02/86/89/176028689.db2.gz GPANQQQFHIJDPM-CYBMUJFWSA-N 2 0 255.406 1.317 10 0 CDAERP CC[C@H]1CCCC[C@]1(C[NH3+])N1CCN(CC[NH+](C)C)CC1 ZINC000071162135 176046477 /nfs/dbraw/zinc/04/64/77/176046477.db2.gz RJGGSQNOAMILHL-DLBZAZTESA-N 2 0 296.503 1.463 10 0 CDAERP Cc1ccc([C@@H](C[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000071187938 176061625 /nfs/dbraw/zinc/06/16/25/176061625.db2.gz BMYRZJMTIXDKDR-GDBMZVCRSA-N 2 0 261.413 1.878 10 0 CDAERP C[C@H]1CC[C@H](C[NH3+])[C@H](N(C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071188207 176062639 /nfs/dbraw/zinc/06/26/39/176062639.db2.gz MNIYMQASTUYKCT-GBJTYRQASA-N 2 0 253.434 1.633 10 0 CDAERP CN(C[C@H]1CC[N@H+](C)C1)C(=O)C1(C[NH3+])CCCCCC1 ZINC000071189086 176064167 /nfs/dbraw/zinc/06/41/67/176064167.db2.gz URNIMGKMEUUHJQ-AWEZNQCLSA-N 2 0 281.444 1.696 10 0 CDAERP Cc1cc(C)c(C(N)=[NH2+])c(N(C)C[C@@H]2CC[N@H+](C)C2)n1 ZINC000071189302 176064953 /nfs/dbraw/zinc/06/49/53/176064953.db2.gz KSQIFNIMUYVHGM-GFCCVEGCSA-N 2 0 275.400 1.370 10 0 CDAERP CC[NH2+]Cc1cccc(N(C)C[C@H]2CC[N@H+](C)C2)n1 ZINC000071191761 176072219 /nfs/dbraw/zinc/07/22/19/176072219.db2.gz QMNZSYUAALMKDY-ZDUSSCGKSA-N 2 0 262.401 1.579 10 0 CDAERP CC(C)C[NH2+]Cc1cc(CN(C)C[C@@H]2CC[N@H+](C)C2)on1 ZINC000071191914 176072276 /nfs/dbraw/zinc/07/22/76/176072276.db2.gz GHPJUECWMCHLDJ-CQSZACIVSA-N 2 0 294.443 1.804 10 0 CDAERP C[NH2+]Cc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](C)C2)cc1 ZINC000071191868 176072656 /nfs/dbraw/zinc/07/26/56/176072656.db2.gz QULAOHDDSAMGIX-MRXNPFEDSA-N 3 0 261.413 1.790 10 0 CDAERP CC[NH2+][C@@H]1CCCN(CC[N@H+](C)C2CCCC2)C1 ZINC000071199883 176077299 /nfs/dbraw/zinc/07/72/99/176077299.db2.gz FXMWVQDYWKJPOV-CQSZACIVSA-N 2 0 253.434 1.935 10 0 CDAERP CCC[NH2+][C@H]1CCCN(CC2CC[NH+](C)CC2)C1 ZINC000071201205 176077713 /nfs/dbraw/zinc/07/77/13/176077713.db2.gz WZXXJILJDHAECS-HNNXBMFYSA-N 2 0 253.434 1.792 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1Cc1ccc(F)cc1C[NH3+] ZINC000071263641 176097103 /nfs/dbraw/zinc/09/71/03/176097103.db2.gz MZBSJKMMGSLINV-OAHLLOKOSA-N 2 0 265.376 1.810 10 0 CDAERP CCCn1c(C[NH3+])nnc1SCC[NH+](CC)CC ZINC000071375139 176140687 /nfs/dbraw/zinc/14/06/87/176140687.db2.gz CEKMPXHAXFIWIG-UHFFFAOYSA-N 2 0 271.434 1.581 10 0 CDAERP C[C@H]([NH3+])[C@@H](N1CC[NH+](CC(C)(C)O)CC1)C(C)(C)C ZINC000071380413 176144746 /nfs/dbraw/zinc/14/47/46/176144746.db2.gz BBQBEQIWRFQNLT-QWHCGFSZSA-N 2 0 271.449 1.137 10 0 CDAERP CC(C)(O)C[NH+]1CCN(Cc2ccc(C[NH3+])cc2F)CC1 ZINC000071380431 176144805 /nfs/dbraw/zinc/14/48/05/176144805.db2.gz UGQOEZABTCPQFG-UHFFFAOYSA-N 2 0 295.402 1.173 10 0 CDAERP C[NH+](C)[C@H]1CCN(c2nc3ccccc3cc2C(N)=[NH2+])C1 ZINC000071390231 176148511 /nfs/dbraw/zinc/14/85/11/176148511.db2.gz DYDLWCMNRXKSOB-LBPRGKRZSA-N 2 0 283.379 1.659 10 0 CDAERP CC[NH2+]CC1(NC(=O)C23CC[NH+](CC2)C3)CCCC1 ZINC001665959325 1173091787 /nfs/dbraw/zinc/09/17/87/1173091787.db2.gz MBVKTAGZBXAILX-UHFFFAOYSA-N 2 0 265.401 1.121 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000418035922 227961696 /nfs/dbraw/zinc/96/16/96/227961696.db2.gz YLNJWQSHZCADNW-KGLIPLIRSA-N 2 0 296.459 1.406 10 0 CDAERP COCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001666630448 1173163197 /nfs/dbraw/zinc/16/31/97/1173163197.db2.gz WSICSDYCLKJSPP-CABCVRRESA-N 2 0 299.459 1.238 10 0 CDAERP CC(C)[C@H](C[NH2+][C@H](C)[C@H]1C[C@@H]1C)N1CC[NH+](C)CC1 ZINC000321754611 270330473 /nfs/dbraw/zinc/33/04/73/270330473.db2.gz BNQSKRICKKBYTQ-FZKCQIBNSA-N 2 0 267.461 1.893 10 0 CDAERP c1ccc(C[N@H+]2CCC[C@H]2CN[C@@H]2CC[NH2+]C2)cc1 ZINC000390581793 262223225 /nfs/dbraw/zinc/22/32/25/262223225.db2.gz JGEJVEKILAQMEN-CVEARBPZSA-N 2 0 259.397 1.603 10 0 CDAERP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662264285 423810961 /nfs/dbraw/zinc/81/09/61/423810961.db2.gz HVBXRETTWXYJCI-OLZOCXBDSA-N 3 0 259.397 1.501 10 0 CDAERP C[C@H]1CC2(C[N@@H+]1CCO[C@H]1CC1(F)F)CC[NH2+]CC2 ZINC000662283051 423881073 /nfs/dbraw/zinc/88/10/73/423881073.db2.gz KCEBQCGYZSBWFC-RYUDHWBXSA-N 2 0 274.355 1.875 10 0 CDAERP C[C@H](C[NH2+]CCF)N(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001667008494 1173220929 /nfs/dbraw/zinc/22/09/29/1173220929.db2.gz VEKDVYBKNFFFDN-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000652216783 424073402 /nfs/dbraw/zinc/07/34/02/424073402.db2.gz GKRLKFNRRYVXEW-KGLIPLIRSA-N 2 0 284.448 1.262 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000652225460 424087855 /nfs/dbraw/zinc/08/78/55/424087855.db2.gz ZUQORYJAJNPMEQ-GJZGRUSLSA-N 2 0 298.475 1.733 10 0 CDAERP CC(C)(C[NH+]1CCCC1)NC(=O)NCCC1(C[NH3+])CC1 ZINC000652232500 424106385 /nfs/dbraw/zinc/10/63/85/424106385.db2.gz ALJBAPONFINISN-UHFFFAOYSA-N 2 0 282.432 1.289 10 0 CDAERP C[C@H](O)CNc1cc(NC[C@H]2CC[N@@H+]2C(C)(C)C)ncn1 ZINC000664142270 424152341 /nfs/dbraw/zinc/15/23/41/424152341.db2.gz HTPVUNBZDARJAI-NWDGAFQWSA-N 2 0 293.415 1.554 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000653109736 424272317 /nfs/dbraw/zinc/27/23/17/424272317.db2.gz LCZMBYSILJXMON-AWEZNQCLSA-N 2 0 281.444 1.757 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCCF ZINC001667059267 1173228357 /nfs/dbraw/zinc/22/83/57/1173228357.db2.gz OEUOAZKSKCLRJW-UONOGXRCSA-N 2 0 287.423 1.657 10 0 CDAERP CCO[C@@H]1C[N@H+](CCO[C@H]2CCCC[C@@H]2C)C[C@H]1C[NH3+] ZINC000652357522 424306941 /nfs/dbraw/zinc/30/69/41/424306941.db2.gz VDJWXRHJTIUPGL-XUWVNRHRSA-N 2 0 284.444 1.877 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)[C@H]2CCC[NH2+]CC2)CC1 ZINC000653148978 424377621 /nfs/dbraw/zinc/37/76/21/424377621.db2.gz RXMCDHKEGBJLHT-SLTAFYQDSA-N 2 0 281.444 1.613 10 0 CDAERP O=C(NC1CC([NH+]2CCCCC2)C1)[C@@H]1CCC[NH2+]CC1 ZINC000653151570 424386890 /nfs/dbraw/zinc/38/68/90/424386890.db2.gz KVQCZGJALMBMOL-WLYUNCDWSA-N 2 0 279.428 1.509 10 0 CDAERP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662754238 424404888 /nfs/dbraw/zinc/40/48/88/424404888.db2.gz HVJOSVQWZKEJSR-ONGXEEELSA-N 2 0 292.383 1.081 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000659619924 424415206 /nfs/dbraw/zinc/41/52/06/424415206.db2.gz DVOZZMBAJGTJAW-QWHCGFSZSA-N 2 0 284.448 1.532 10 0 CDAERP C[N@@H+]1CCC[C@H](NC(=O)c2ccccc2CC[NH3+])C1 ZINC000070542030 424417999 /nfs/dbraw/zinc/41/79/99/424417999.db2.gz YTMMCTFCVSRXNN-ZDUSSCGKSA-N 2 0 261.369 1.012 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000659623738 424430274 /nfs/dbraw/zinc/43/02/74/424430274.db2.gz LDLZEEWRYKDBCV-UONOGXRCSA-N 2 0 280.416 1.016 10 0 CDAERP CO[C@H](C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1)[C@H]1CCOC1 ZINC000665234790 424470533 /nfs/dbraw/zinc/47/05/33/424470533.db2.gz KCUOZCVNSGOUNG-QKPAOTATSA-N 2 0 284.444 1.938 10 0 CDAERP C[NH+](C)CCN1CC[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1=O ZINC000660913459 424537372 /nfs/dbraw/zinc/53/73/72/424537372.db2.gz UCRDMIVVOFWHJN-KFWWJZLASA-N 2 0 279.428 1.128 10 0 CDAERP C(C1CCOCC1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000052174664 424578249 /nfs/dbraw/zinc/57/82/49/424578249.db2.gz GMNGTCHZFGBGDA-GJZGRUSLSA-N 2 0 252.402 1.877 10 0 CDAERP Cn1cnc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000313254099 270323736 /nfs/dbraw/zinc/32/37/36/270323736.db2.gz NZUPTZJNQSXKES-ARFHVFGLSA-N 2 0 276.428 1.863 10 0 CDAERP C(C[C@@H]1CCCOC1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000530211043 271152978 /nfs/dbraw/zinc/15/29/78/271152978.db2.gz LYAJITSMDNCUBK-LJISPDSOSA-N 2 0 252.402 1.781 10 0 CDAERP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1CC[NH2+]C12CCC2 ZINC000530215788 271157107 /nfs/dbraw/zinc/15/71/07/271157107.db2.gz IZZDHJHJWZLRHL-BPUTZDHNSA-N 2 0 273.424 1.819 10 0 CDAERP COCCC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530241774 271179238 /nfs/dbraw/zinc/17/92/38/271179238.db2.gz RBCJVBJHGRWKTQ-CQSZACIVSA-N 2 0 256.390 1.113 10 0 CDAERP CC(C)[N@H+](C)CCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001667652481 1173305959 /nfs/dbraw/zinc/30/59/59/1173305959.db2.gz HKSVERJZXDVMHF-CYBMUJFWSA-N 2 0 255.406 1.127 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1C ZINC000349144130 276010138 /nfs/dbraw/zinc/01/01/38/276010138.db2.gz OAMCMRMXIJHXMG-STQMWFEESA-N 2 0 253.390 1.071 10 0 CDAERP CC(C)(C)[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371226562 277248341 /nfs/dbraw/zinc/24/83/41/277248341.db2.gz BWEZZXLTXDGQCB-FRRDWIJNSA-N 2 0 267.417 1.350 10 0 CDAERP C[C@@H](CC[NH2+]CCC1CC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001668308637 1173394509 /nfs/dbraw/zinc/39/45/09/1173394509.db2.gz APLWDIFSMHTGQO-GXTWGEPZSA-N 2 0 267.417 1.223 10 0 CDAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000417814009 277762950 /nfs/dbraw/zinc/76/29/50/277762950.db2.gz RJNHYZHHFIHASH-VHDGCEQUSA-N 2 0 289.423 1.827 10 0 CDAERP CC1(C)CCC[NH2+][C@H]1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000334955347 278223027 /nfs/dbraw/zinc/22/30/27/278223027.db2.gz KHFRKCOXZHMHRU-ZDUSSCGKSA-N 2 0 261.369 1.862 10 0 CDAERP C[C@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)[C@H]1C ZINC000357737396 278341669 /nfs/dbraw/zinc/34/16/69/278341669.db2.gz WFNWLUFFEOZXAI-KBPBESRZSA-N 2 0 293.455 1.850 10 0 CDAERP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000252544886 288105079 /nfs/dbraw/zinc/10/50/79/288105079.db2.gz ISMJCKAQLJSOPA-SUJAAXHWSA-N 2 0 281.444 1.168 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)N2CC[C@H]([NH+](C)C)C2)CC1 ZINC000119010820 279352113 /nfs/dbraw/zinc/35/21/13/279352113.db2.gz NQCJWQOUUGKZED-NRXISQOPSA-N 2 0 296.459 1.452 10 0 CDAERP C[C@@H]1C[N@@H+](C2CCN(C[C@]3(C)CC[NH2+]C3)CC2)CCO1 ZINC000261914092 288134663 /nfs/dbraw/zinc/13/46/63/288134663.db2.gz YWWZJAOYVWXUFZ-GDBMZVCRSA-N 2 0 281.444 1.171 10 0 CDAERP CC(C)[C@H](C(=O)NCC[N@@H+]1CCCC[C@H]1C)[NH+](C)C ZINC000123950588 280170866 /nfs/dbraw/zinc/17/08/66/280170866.db2.gz YGUWTQTWJSCSII-ZIAGYGMSSA-N 2 0 269.433 1.563 10 0 CDAERP CC[C@@H]1CCCC[N@@H+]1CCN[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422731294 280254869 /nfs/dbraw/zinc/25/48/69/280254869.db2.gz NKRYLAXYWNULFU-IKGGRYGDSA-N 2 0 295.471 1.608 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COCC(C)C)[C@H](C)C1 ZINC000246525448 280287795 /nfs/dbraw/zinc/28/77/95/280287795.db2.gz JCIKYJKUDZDLBP-OAGGEKHMSA-N 2 0 286.460 1.682 10 0 CDAERP COc1ccc([C@@H](C[NH3+])CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000517904533 281013079 /nfs/dbraw/zinc/01/30/79/281013079.db2.gz IHTYPXOBXJMGMG-HRCADAONSA-N 2 0 289.423 1.564 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000094447026 288291783 /nfs/dbraw/zinc/29/17/83/288291783.db2.gz UVALEXAIPAHJKL-YIYPIFLZSA-N 2 0 265.401 1.199 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000262068201 288297649 /nfs/dbraw/zinc/29/76/49/288297649.db2.gz FTQWUWBUCKJVSI-DYVFJYSZSA-N 2 0 299.418 1.989 10 0 CDAERP CC1(C)CN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC[C@@H]1[NH3+] ZINC000334948318 281175020 /nfs/dbraw/zinc/17/50/20/281175020.db2.gz ZAYWHZMZAGWOEK-WFASDCNBSA-N 2 0 282.432 1.145 10 0 CDAERP CC1(C)CN(C(=O)[C@H](C[NH3+])c2ccc(F)cc2)CC[NH2+]1 ZINC000335626725 281206925 /nfs/dbraw/zinc/20/69/25/281206925.db2.gz HAJMJPDWFDBKAK-CYBMUJFWSA-N 2 0 279.359 1.078 10 0 CDAERP CC[C@@H](C)C[NH2+]CCN(CC)C(=O)C1CC[NH+](C)CC1 ZINC001668542912 1173426388 /nfs/dbraw/zinc/42/63/88/1173426388.db2.gz ZJUQPJLVGJUXLB-CQSZACIVSA-N 2 0 283.460 1.812 10 0 CDAERP C[NH+](C)C1(CN[C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CCCCC1 ZINC000422756576 289059244 /nfs/dbraw/zinc/05/92/44/289059244.db2.gz LTAYUQWEWBKIQG-HOTGVXAUSA-N 2 0 295.471 1.608 10 0 CDAERP CC[N@H+](CC(=O)N(C)C[C@@H]1CCC[NH+]1CC)C1CC1 ZINC000153265846 289161971 /nfs/dbraw/zinc/16/19/71/289161971.db2.gz WDGSDUFMESDZIN-AWEZNQCLSA-N 2 0 267.417 1.413 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)N(C)CCC[NH+](C)C ZINC000541833836 289514053 /nfs/dbraw/zinc/51/40/53/289514053.db2.gz PQDFNGRXXLJKTK-ZDUSSCGKSA-N 2 0 272.437 1.310 10 0 CDAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCC(=O)NC1 ZINC000093516501 289736146 /nfs/dbraw/zinc/73/61/46/289736146.db2.gz FUHFZUCCRQFGRJ-JHJVBQTASA-N 2 0 253.390 1.165 10 0 CDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC2(O)CCCCC2)CC1 ZINC000069697940 290084277 /nfs/dbraw/zinc/08/42/77/290084277.db2.gz ZFFDFYVJZHUWPS-HNNXBMFYSA-N 2 0 298.471 1.706 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NCC2(C[NH+](C)C)CCCC2)C1 ZINC000557669709 290363427 /nfs/dbraw/zinc/36/34/27/290363427.db2.gz LACPNPOESNWQEK-CQSZACIVSA-N 2 0 281.444 1.566 10 0 CDAERP CCc1nncn1CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000570233185 294200905 /nfs/dbraw/zinc/20/09/05/294200905.db2.gz QKRUGGWXOXRCTD-MJBXVCDLSA-N 2 0 277.416 1.303 10 0 CDAERP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2C[NH3+])[C@H]1n1cccn1 ZINC000570562052 294261454 /nfs/dbraw/zinc/26/14/54/294261454.db2.gz KCWMGOMIIPANMX-ZVDSWSACSA-N 2 0 292.427 1.709 10 0 CDAERP C[C@@H]1C[C@H](N(C)C(=O)CN2CC(C)(C)C2)CC[N@@H+]1C ZINC000570860185 294324090 /nfs/dbraw/zinc/32/40/90/294324090.db2.gz DTVZUXACCJSZQP-CHWSQXEVSA-N 2 0 267.417 1.269 10 0 CDAERP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000572857775 294706728 /nfs/dbraw/zinc/70/67/28/294706728.db2.gz YFPSNWMDUGQTKL-DFBGVHRSSA-N 2 0 288.395 1.210 10 0 CDAERP Nc1cc[nH+]cc1C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000574085969 294942725 /nfs/dbraw/zinc/94/27/25/294942725.db2.gz JQLYJTSZVOGQTQ-CQSZACIVSA-N 2 0 274.368 1.098 10 0 CDAERP [NH3+][C@@H]1CCCC[C@H]1CC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000261702362 295298524 /nfs/dbraw/zinc/29/85/24/295298524.db2.gz OKJAEYBBDQJRQI-HRCADAONSA-N 2 0 293.455 1.981 10 0 CDAERP CSC1(C[NH2+][C@H](C)c2cnccc2N)CC[NH+](C)CC1 ZINC000423119937 295583098 /nfs/dbraw/zinc/58/30/98/295583098.db2.gz FBTTWSKDFCQEOQ-GFCCVEGCSA-N 2 0 294.468 1.972 10 0 CDAERP C[C@H](C(=O)N1CCO[C@@H](C[NH+](C)C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000246953903 298063733 /nfs/dbraw/zinc/06/37/33/298063733.db2.gz CZXBOBMHVMYTCI-BARDWOONSA-N 2 0 297.443 1.037 10 0 CDAERP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000094446973 300307001 /nfs/dbraw/zinc/30/70/01/300307001.db2.gz TWMGQTYDOMZBHJ-GBJTYRQASA-N 2 0 279.428 1.447 10 0 CDAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000418596664 300325406 /nfs/dbraw/zinc/32/54/06/300325406.db2.gz OZLGSJKGQYYORW-QWHCGFSZSA-N 2 0 282.432 1.158 10 0 CDAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000336342684 300325938 /nfs/dbraw/zinc/32/59/38/300325938.db2.gz UAJMMJSBYHXARP-IINYFYTJSA-N 2 0 259.353 1.018 10 0 CDAERP CC(C)OCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001669924643 1173630543 /nfs/dbraw/zinc/63/05/43/1173630543.db2.gz FCXCGJHBHHGDQT-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP CC[NH+](CC)C[C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000563384448 316282231 /nfs/dbraw/zinc/28/22/31/316282231.db2.gz MHZCBOHWHYZOPM-LSDHHAIUSA-N 2 0 281.444 1.519 10 0 CDAERP CC[C@H](C(=O)N1CC[C@]2(C1)CCC[NH2+]C2)[NH+](CC)CC ZINC000564216067 316435805 /nfs/dbraw/zinc/43/58/05/316435805.db2.gz YYLMAQZTBSWHIT-GDBMZVCRSA-N 2 0 281.444 1.709 10 0 CDAERP C[NH2+]C1CCN(CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000566244751 316526836 /nfs/dbraw/zinc/52/68/36/316526836.db2.gz LCMJYRMCLITZIN-UHFFFAOYSA-N 2 0 282.476 1.086 10 0 CDAERP Cc1cnn(CC[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000575854948 317025758 /nfs/dbraw/zinc/02/57/58/317025758.db2.gz WMGDVEUVKRAXKS-HZPDHXFCSA-N 2 0 292.427 1.410 10 0 CDAERP C[C@@H]1CC[N@H+](CCNC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000576351323 317124164 /nfs/dbraw/zinc/12/41/64/317124164.db2.gz VDUHAZBYEKTKKU-GFCCVEGCSA-N 2 0 261.369 1.217 10 0 CDAERP Cn1cc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c(C(F)(F)F)n1 ZINC000576648582 317181642 /nfs/dbraw/zinc/18/16/42/317181642.db2.gz PXQUPAXERAEWCO-ZJUUUORDSA-N 2 0 276.306 1.798 10 0 CDAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000180990276 323224721 /nfs/dbraw/zinc/22/47/21/323224721.db2.gz DLXYBSDXZPJOTB-DZGCQCFKSA-N 2 0 267.417 1.319 10 0 CDAERP CN(CCC[NH+](C)C)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000185466006 323389595 /nfs/dbraw/zinc/38/95/95/323389595.db2.gz INGMPNHBVPYDSJ-CYBMUJFWSA-N 2 0 282.432 1.064 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001691750205 1173875375 /nfs/dbraw/zinc/87/53/75/1173875375.db2.gz LEHFFALKDIYGQY-HRCADAONSA-N 2 0 293.455 1.779 10 0 CDAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1cnccn1 ZINC000389995166 323815624 /nfs/dbraw/zinc/81/56/24/323815624.db2.gz GNFQZROWOBAMKA-ZIAGYGMSSA-N 2 0 262.401 1.920 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000581499253 324766634 /nfs/dbraw/zinc/76/66/34/324766634.db2.gz YUKDPZYHEMVXOU-HZSPNIEDSA-N 2 0 267.417 1.365 10 0 CDAERP CC[NH2+]CCCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000581537914 324773892 /nfs/dbraw/zinc/77/38/92/324773892.db2.gz DARJZJIYMCNLEF-UPJWGTAASA-N 2 0 253.390 1.023 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CC2(C)CC2)CC1 ZINC000584268009 327204901 /nfs/dbraw/zinc/20/49/01/327204901.db2.gz FVGFZAUEWSHGII-OAHLLOKOSA-N 2 0 265.445 1.888 10 0 CDAERP COCC[NH2+][C@H]1C[C@H](C)N(C(=O)CCC[NH+]2CCCC2)C1 ZINC001725589188 1159255971 /nfs/dbraw/zinc/25/59/71/1159255971.db2.gz JTOYGPHPNZXLDH-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](CCCCOC)C1)[NH+](C)C ZINC001481746844 1159928256 /nfs/dbraw/zinc/92/82/56/1159928256.db2.gz JJODQHBLERYKET-HUUCEWRRSA-N 2 0 299.459 1.286 10 0 CDAERP CC[C@@H](C)C[N@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001700474549 1176963019 /nfs/dbraw/zinc/96/30/19/1176963019.db2.gz QIEAQIXOHAYLFA-CHWSQXEVSA-N 2 0 257.422 1.421 10 0 CDAERP CC(C)[NH2+]C1(CO)CC[NH+](C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000660678220 482193142 /nfs/dbraw/zinc/19/31/42/482193142.db2.gz YQXZHVYNSDYPBH-QDMKHBRRSA-N 2 0 266.429 1.857 10 0 CDAERP C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662257930 482208590 /nfs/dbraw/zinc/20/85/90/482208590.db2.gz HCADQIHXYGERPP-IJEWVQPXSA-N 2 0 296.455 1.674 10 0 CDAERP [NH3+]C1(CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000398096149 482243567 /nfs/dbraw/zinc/24/35/67/482243567.db2.gz AGLGUWLPWNBMJD-UHFFFAOYSA-N 2 0 287.407 1.649 10 0 CDAERP C[NH2+]Cc1ccccc1CNC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000652291838 482459042 /nfs/dbraw/zinc/45/90/42/482459042.db2.gz KJAZERNTBJDWDG-DOMZBBRYSA-N 2 0 290.411 1.285 10 0 CDAERP CN1CC(C[N@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000668537222 482470913 /nfs/dbraw/zinc/47/09/13/482470913.db2.gz BITXWSSXJPPNSB-UHFFFAOYSA-N 2 0 291.439 1.620 10 0 CDAERP CN(CCC[NH3+])C(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000669511783 482524548 /nfs/dbraw/zinc/52/45/48/482524548.db2.gz GLZDUHLYDAOIGN-UHFFFAOYSA-N 2 0 289.423 1.650 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCOC[C@@H]2CCOC2)[C@H]2CCC[C@H]21 ZINC000671746784 482543092 /nfs/dbraw/zinc/54/30/92/482543092.db2.gz ITALDQGVHYDLME-LVQVYYBASA-N 2 0 282.428 1.502 10 0 CDAERP [NH3+][C@@H]1CC[C@@H](C(=O)NCC[NH+]2CCCCCC2)C1 ZINC000091544690 482570557 /nfs/dbraw/zinc/57/05/57/482570557.db2.gz WKDIWNCPEIUSBZ-CHWSQXEVSA-N 2 0 253.390 1.106 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCn2cncn2)[C@@H]2CCC[C@@H]21 ZINC000671756481 482692697 /nfs/dbraw/zinc/69/26/97/482692697.db2.gz DJEQMVVROGZZPU-IHRRRGAJSA-N 2 0 263.389 1.131 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000669575227 482778959 /nfs/dbraw/zinc/77/89/59/482778959.db2.gz WLBKCORIAHJNJT-LMRVLLHPSA-N 2 0 294.443 1.572 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)Cc1ccccn1 ZINC000656202073 482789799 /nfs/dbraw/zinc/78/97/99/482789799.db2.gz XLUPMEKYRCSIFC-TZMCWYRMSA-N 2 0 251.374 1.356 10 0 CDAERP CCC[N@H+](CC)CCNC(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000673771739 482836614 /nfs/dbraw/zinc/83/66/14/482836614.db2.gz MHQFZXPWNIVAOF-CYBMUJFWSA-N 2 0 270.421 1.112 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCC(C)(C)[NH3+] ZINC000251544986 483049760 /nfs/dbraw/zinc/04/97/60/483049760.db2.gz AYGOWEMHJHKGQN-NEPJUHHUSA-N 2 0 253.390 1.199 10 0 CDAERP CC(C)[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1CC1 ZINC000667014005 483053966 /nfs/dbraw/zinc/05/39/66/483053966.db2.gz LRIBIZRJLYQEPW-OAHLLOKOSA-N 2 0 298.475 1.556 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000089457919 483080949 /nfs/dbraw/zinc/08/09/49/483080949.db2.gz GQNCDZDLXJHPPC-JKSUJKDBSA-N 2 0 293.455 1.696 10 0 CDAERP CC[C@H]([NH3+])CNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000667148555 483110692 /nfs/dbraw/zinc/11/06/92/483110692.db2.gz AMFJMYFHDQNSOX-JTQLQIEISA-N 2 0 274.328 1.126 10 0 CDAERP CC[C@@H]([NH2+]Cc1ccnn1-c1cc[nH+]cc1)[C@@H](C)O ZINC000668218636 483128812 /nfs/dbraw/zinc/12/88/12/483128812.db2.gz RFGRGLAKCRDCEW-BXUZGUMPSA-N 2 0 260.341 1.516 10 0 CDAERP C[NH+](C)CCC1CC[NH+](Cc2cnn3c2CCC3)CC1 ZINC000667544173 483327152 /nfs/dbraw/zinc/32/71/52/483327152.db2.gz YMGLIJKPNOTTHN-UHFFFAOYSA-N 2 0 276.428 1.993 10 0 CDAERP c1nn2c(c1CN1CC[C@H](C[NH+]3CCCC3)C1)CCC2 ZINC000667663304 483374086 /nfs/dbraw/zinc/37/40/86/483374086.db2.gz JECAUEZKIURHLH-CQSZACIVSA-N 2 0 274.412 1.747 10 0 CDAERP C[C@@H]1CN(CCC[NH2+][C@H]2CO[C@@H](C3CC3)C2)CCCO1 ZINC000668063979 483551402 /nfs/dbraw/zinc/55/14/02/483551402.db2.gz BSGHLRURGMCLCU-FVQBIDKESA-N 2 0 282.428 1.644 10 0 CDAERP CC(C)C[NH2+]CC1(C[N@H+](C)C[C@@H](C)O)CCOCC1 ZINC000052198285 519742941 /nfs/dbraw/zinc/74/29/41/519742941.db2.gz UKOMXQWCZXNVKG-CQSZACIVSA-N 2 0 272.433 1.341 10 0 CDAERP CCC[NH2+]C[C@]1(C[N@@H+]2CCC[C@@H]2CCCO)CCOC1 ZINC000052763416 519940482 /nfs/dbraw/zinc/94/04/82/519940482.db2.gz XTUSPGHSNGFZBP-CVEARBPZSA-N 2 0 284.444 1.630 10 0 CDAERP CC[NH2+]Cc1nc(COCCC[NH+](C)C)cs1 ZINC000052672146 520020476 /nfs/dbraw/zinc/02/04/76/520020476.db2.gz ZHVIOVKKFRUWGO-UHFFFAOYSA-N 2 0 257.403 1.721 10 0 CDAERP CCN(C(C)=O)c1nc(C[NH2+]CCCC[NH+](C)C)cs1 ZINC000045663917 520136311 /nfs/dbraw/zinc/13/63/11/520136311.db2.gz KKICSWIEOCNEKA-UHFFFAOYSA-N 2 0 298.456 1.947 10 0 CDAERP CCC(CC)[C@@H](CNC(=O)[C@H]1CC[NH2+]C1)[NH+]1CCCC1 ZINC000236666809 521604147 /nfs/dbraw/zinc/60/41/47/521604147.db2.gz PYVKEAIPJFLYST-LSDHHAIUSA-N 2 0 281.444 1.613 10 0 CDAERP CCC[N@H+](CC)CCn1cc(C[NH2+]C(C)C)nn1 ZINC000052448403 521612346 /nfs/dbraw/zinc/61/23/46/521612346.db2.gz IBTDNIKWJYHJOB-UHFFFAOYSA-N 2 0 253.394 1.508 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@@H]1[C@@H](C)CCC[C@@H]1[NH3+] ZINC000055139774 521655315 /nfs/dbraw/zinc/65/53/15/521655315.db2.gz XLNKKGOLCLUGSX-MELADBBJSA-N 2 0 269.433 1.550 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@H]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000055139794 521655346 /nfs/dbraw/zinc/65/53/46/521655346.db2.gz CSWOATWVQOJUIJ-MJBXVCDLSA-N 2 0 269.433 1.550 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1CC ZINC001716637835 1180316604 /nfs/dbraw/zinc/31/66/04/1180316604.db2.gz TZSSVLVPFFUPDO-CABCVRRESA-N 2 0 283.460 1.955 10 0 CDAERP C[NH2+]Cc1cc(C[NH+]2CCC(OC)CC2)oc1C ZINC000052455198 522108427 /nfs/dbraw/zinc/10/84/27/522108427.db2.gz MUMLAYUQNTVFCP-UHFFFAOYSA-N 2 0 252.358 1.918 10 0 CDAERP CC[C@@H](C[NH2+]CC(C)C)N1CCN(CC[NH+](C)C)CC1 ZINC000061654996 522547548 /nfs/dbraw/zinc/54/75/48/522547548.db2.gz VRSFPKBEJGLALB-INIZCTEOSA-N 2 0 284.492 1.190 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001771779859 1161957687 /nfs/dbraw/zinc/95/76/87/1161957687.db2.gz VIYMQFPIUGXBSW-ZIAGYGMSSA-N 2 0 282.432 1.240 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)[NH+](C)CC)C1 ZINC001734050812 1183635972 /nfs/dbraw/zinc/63/59/72/1183635972.db2.gz HRFXVFRFEMIJMU-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP CC(C)(C)[NH+]1CCC(NC(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000062894361 518709098 /nfs/dbraw/zinc/70/90/98/518709098.db2.gz BJHXCGFIFBPOLD-OAHLLOKOSA-N 2 0 267.417 1.365 10 0 CDAERP CC(C)C[C@@H]1CN(C2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000062625154 519271930 /nfs/dbraw/zinc/27/19/30/519271930.db2.gz UQZLZIGOTROLTI-CQSZACIVSA-N 2 0 253.434 1.791 10 0 CDAERP CC(C)CN(CC[NH+](C)C)C(=O)[C@@H]1[C@@H](C)CCC[C@@H]1[NH3+] ZINC000055134771 519716336 /nfs/dbraw/zinc/71/63/36/519716336.db2.gz OBWKAQVEWKFYAD-SOUVJXGZSA-N 2 0 283.460 1.796 10 0 CDAERP CC(C)[NH2+]CCCCC[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000062973943 519720663 /nfs/dbraw/zinc/72/06/63/519720663.db2.gz MSUQDUIEDHIDFJ-INIZCTEOSA-N 2 0 283.460 1.561 10 0 CDAERP CC(C)[NH2+]CCC[C@H](C)[NH+]1CCN(C2CC2)CC1 ZINC000052371365 519721572 /nfs/dbraw/zinc/72/15/72/519721572.db2.gz QEYJZDGMBLKOIX-AWEZNQCLSA-N 2 0 253.434 1.933 10 0 CDAERP CC(C)[NH2+]C[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000052379602 519723046 /nfs/dbraw/zinc/72/30/46/519723046.db2.gz WBBWEOBKOHNZHI-INIZCTEOSA-N 2 0 261.413 1.973 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)CC[C@H]2CCCC[NH2+]2)CC1 ZINC000050947599 519723806 /nfs/dbraw/zinc/72/38/06/519723806.db2.gz BEJVVGDYENRAIR-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)C[NH+]1CCN(CC2(C[NH3+])CCCC2)CC1 ZINC000055081821 519725560 /nfs/dbraw/zinc/72/55/60/519725560.db2.gz RWYAUBKYTWWAKJ-UHFFFAOYSA-N 2 0 253.434 1.779 10 0 CDAERP CC(C)[NH2+][C@@](C)(C[C@@H](C)N1CC[N@H+](C)C(C)(C)C1)C(N)=O ZINC000068646872 519736340 /nfs/dbraw/zinc/73/63/40/519736340.db2.gz JGIVFDZCMOQXFK-CJNGLKHVSA-N 2 0 298.475 1.033 10 0 CDAERP CC(C)C[NH2+]CCCCC[N@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000052482909 519743200 /nfs/dbraw/zinc/74/32/00/519743200.db2.gz LKGLUZMZENCOQB-AWEZNQCLSA-N 2 0 290.473 1.521 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CC[C@@H](C[N@@H+]2CCCN(C)CC2)O1 ZINC000052424390 519746269 /nfs/dbraw/zinc/74/62/69/519746269.db2.gz ISFONZCSVFBFQV-CVEARBPZSA-N 2 0 283.460 1.417 10 0 CDAERP CC(C)[C@@H]1CC[C@H]([NH3+])[C@H](N2CCC[N@H+](C)CC2)C1 ZINC000054554785 519803367 /nfs/dbraw/zinc/80/33/67/519803367.db2.gz HSFTXXBGJDTRIK-QLFBSQMISA-N 2 0 253.434 1.776 10 0 CDAERP CCC[NH+]1CCN(c2nc(CC)c(C[NH2+]C)s2)CC1 ZINC000054968981 519860774 /nfs/dbraw/zinc/86/07/74/519860774.db2.gz WDUJQKCITUMLMO-UHFFFAOYSA-N 2 0 282.457 1.957 10 0 CDAERP CCCC1(C(=O)NCC2CC[NH+](C)CC2)CC[NH2+]CC1 ZINC000062850065 519887690 /nfs/dbraw/zinc/88/76/90/519887690.db2.gz SCVLHUNWVLWJJG-UHFFFAOYSA-N 2 0 281.444 1.614 10 0 CDAERP CCC[NH2+]CC1(CN(C)C2CC[NH+](C)CC2)CCOCC1 ZINC000052181039 519910210 /nfs/dbraw/zinc/91/02/10/519910210.db2.gz CRAVHWAXFCJFRH-UHFFFAOYSA-N 2 0 297.487 1.809 10 0 CDAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC[NH+](C)CC1 ZINC000054629326 519910496 /nfs/dbraw/zinc/91/04/96/519910496.db2.gz GGTITAAZTKSAFF-MQVJKMGUSA-N 3 0 265.445 1.933 10 0 CDAERP CC[NH2+]CC1(C[NH+]2CCC(OCC)CC2)CCOCC1 ZINC000052182168 519912876 /nfs/dbraw/zinc/91/28/76/519912876.db2.gz GYYIPXGQBJJBEY-UHFFFAOYSA-N 2 0 284.444 1.894 10 0 CDAERP CC[NH2+]CC1(C[N@H+](CCO)C(C)C)CCOCC1 ZINC000052198007 519913171 /nfs/dbraw/zinc/91/31/71/519913171.db2.gz LLWLHKZJRJCPGI-UHFFFAOYSA-N 2 0 258.406 1.095 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@@H](C[NH+]2CCSCC2)O1 ZINC000052443282 519923767 /nfs/dbraw/zinc/92/37/67/519923767.db2.gz LBWBPMMWFWFRET-STQMWFEESA-N 2 0 258.431 1.582 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@@H](COCCC[NH+](C)C)O1 ZINC000052672635 519925018 /nfs/dbraw/zinc/92/50/18/519925018.db2.gz NINOQHBTHLNVGK-KBPBESRZSA-N 2 0 258.406 1.502 10 0 CDAERP CC[NH2+]C[C@@H](C)C(=O)N[C@H](C)CCC[NH+](CC)CC ZINC000061227644 519937863 /nfs/dbraw/zinc/93/78/63/519937863.db2.gz MPQGZSXKKIHLNS-ZIAGYGMSSA-N 2 0 271.449 1.859 10 0 CDAERP CC[NH2+]Cc1cn(CC[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)nn1 ZINC000052482311 520013615 /nfs/dbraw/zinc/01/36/15/520013615.db2.gz MPAIFNQZDLUCLA-HUUCEWRRSA-N 2 0 291.443 1.900 10 0 CDAERP CC[NH2+][C@@H](CC[NH+]1CCC(C[NH+]2CCCC2)CC1)C(=O)[O-] ZINC000062533817 520088648 /nfs/dbraw/zinc/08/86/48/520088648.db2.gz XFBLQZOVMQQYPD-HNNXBMFYSA-N 2 0 297.443 1.247 10 0 CDAERP CCOC[C@@H](O)C[NH+]1CCC(C[NH2+]C(C)(C)C)CC1 ZINC000069280307 520094953 /nfs/dbraw/zinc/09/49/53/520094953.db2.gz FEXIUDGVMNBHOF-AWEZNQCLSA-N 2 0 272.433 1.484 10 0 CDAERP CC[NH2+][C@H](C)CC(=O)NCCC[NH+]1CCCCC1 ZINC000061269419 520166161 /nfs/dbraw/zinc/16/61/61/520166161.db2.gz KXMBSJJBAKYZIY-CYBMUJFWSA-N 2 0 255.406 1.367 10 0 CDAERP CCN(CC)C(=O)C[N@H+](C)CCC[C@H]1CCC[NH2+]1 ZINC000052764469 520474937 /nfs/dbraw/zinc/47/49/37/520474937.db2.gz YCAMHMCCWJTYRV-CYBMUJFWSA-N 2 0 255.406 1.319 10 0 CDAERP CC[NH+](CC)CCN(CC(C)C)C(=O)CC[C@@H](C)[NH3+] ZINC000070316682 520640901 /nfs/dbraw/zinc/64/09/01/520640901.db2.gz FYNQXJQYZGWNHQ-CQSZACIVSA-N 2 0 271.449 1.940 10 0 CDAERP CC[NH+](CC)CCNC(=O)C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000055123013 520669981 /nfs/dbraw/zinc/66/99/81/520669981.db2.gz RKAMWEDEGQGHAU-QWHCGFSZSA-N 2 0 255.406 1.352 10 0 CDAERP CCCCOCC[NH2+]CCN1CC[NH+]([C@@H](C)CC)CC1 ZINC000055074920 520781361 /nfs/dbraw/zinc/78/13/61/520781361.db2.gz XTAVTNQEPUEMMG-INIZCTEOSA-N 2 0 285.476 1.809 10 0 CDAERP CC1CCC([N@H+](C)CCN2CCC[NH2+]CC2)CC1 ZINC000061275317 520935147 /nfs/dbraw/zinc/93/51/47/520935147.db2.gz CBRXOADWLFYBEQ-UHFFFAOYSA-N 2 0 253.434 1.792 10 0 CDAERP CCCC[C@@](CC)(C[NH3+])[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000069381094 521121419 /nfs/dbraw/zinc/12/14/19/521121419.db2.gz XAVBHVBXVZFIRN-HOTGVXAUSA-N 2 0 283.460 1.691 10 0 CDAERP CCC(CC)(C[NH3+])C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000236669337 521423846 /nfs/dbraw/zinc/42/38/46/521423846.db2.gz HPXDHIZJZLDKCS-GFCCVEGCSA-N 2 0 255.406 1.257 10 0 CDAERP CC[N@@H+]1CC[C@@H](CNC(=O)c2c[nH+]c(NN)c(Cl)c2)C1 ZINC000051091215 521711046 /nfs/dbraw/zinc/71/10/46/521711046.db2.gz ZWYPGPGSVFHSMX-VIFPVBQESA-N 2 0 297.790 1.092 10 0 CDAERP CN(C)C[C@@H]1CCC[N@@H+]1CCCOc1ccc(C[NH3+])cc1 ZINC000061642657 521837276 /nfs/dbraw/zinc/83/72/76/521837276.db2.gz FVWBGAYAJRLFRD-INIZCTEOSA-N 2 0 291.439 1.940 10 0 CDAERP C[NH+](C)C[C@H]1CCCN1CC[NH2+]Cc1ccoc1 ZINC000061655046 521869114 /nfs/dbraw/zinc/86/91/14/521869114.db2.gz QGUDCPWWHPLDTR-CQSZACIVSA-N 2 0 251.374 1.395 10 0 CDAERP C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CC(C)(C)[NH+](C)C ZINC000054602367 521953274 /nfs/dbraw/zinc/95/32/74/521953274.db2.gz PADWWQDQRIJQSZ-AGUYFDCRSA-N 2 0 253.434 1.932 10 0 CDAERP C[NH2+]CC1(C[NH+]2C[C@@H](C)C[C@H](C)C2)CCOCC1 ZINC000052180582 521971835 /nfs/dbraw/zinc/97/18/35/521971835.db2.gz UIXLYMUFQVAIFW-KBPBESRZSA-N 2 0 254.418 1.981 10 0 CDAERP C[NH2+]C[C@H]1CCN(C[C@@H](c2cccc(OC)c2)[NH+](C)C)C1 ZINC000053012022 522090212 /nfs/dbraw/zinc/09/02/12/522090212.db2.gz NECBHVKAQNAQNG-PBHICJAKSA-N 2 0 291.439 1.839 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(C(=O)C[C@H]2CCCC[NH2+]2)CC1 ZINC000055082465 522111675 /nfs/dbraw/zinc/11/16/75/522111675.db2.gz WAHOUCMZFDCBIA-ZIAGYGMSSA-N 2 0 267.417 1.461 10 0 CDAERP C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H]2CN(C)C)c1 ZINC000061654443 522127193 /nfs/dbraw/zinc/12/71/93/522127193.db2.gz IYALQTSXIUKOBO-MRXNPFEDSA-N 2 0 261.413 1.932 10 0 CDAERP C[NH2+]Cc1cccc(C[NH+]2CCN(CC[NH+](C)C)CC2)c1 ZINC000061654850 522128421 /nfs/dbraw/zinc/12/84/21/522128421.db2.gz AVRNXNWOVWSBSR-UHFFFAOYSA-N 3 0 290.455 1.085 10 0 CDAERP C[NH2+]Cc1cn(CC[N@@H+]2CCc3ccccc3C2)nn1 ZINC000052419121 522143378 /nfs/dbraw/zinc/14/33/78/522143378.db2.gz XHJIDZGLHJUUGM-UHFFFAOYSA-N 2 0 271.368 1.056 10 0 CDAERP C[NH2+][C@@H](CN1CC[C@H]([NH+](C)C)C1)c1ccccc1C ZINC000062965041 522354672 /nfs/dbraw/zinc/35/46/72/522354672.db2.gz PZMFGRAHTDQOOO-HOCLYGCPSA-N 2 0 261.413 1.891 10 0 CDAERP C[NH2+][C@H]1CCCCC[C@@H]1N1CCC[C@@H]1C[NH+](C)C ZINC000061643415 522489591 /nfs/dbraw/zinc/48/95/91/522489591.db2.gz BGTIDMKRVFPXHD-ILXRZTDVSA-N 2 0 253.434 1.933 10 0 CDAERP CN[C@](C)(C[C@H](C)[N@H+](C)CC1CC[NH+](C)CC1)C(=O)OC ZINC000068646435 522523808 /nfs/dbraw/zinc/52/38/08/522523808.db2.gz PVVMSZMOFHSGLN-XJKSGUPXSA-N 2 0 299.459 1.190 10 0 CDAERP CN(CC[NH2+]CCc1cccs1)CC[NH+]1CCCC1 ZINC000063054349 522865954 /nfs/dbraw/zinc/86/59/54/522865954.db2.gz JHRPNENYILMYFX-UHFFFAOYSA-N 2 0 281.469 1.908 10 0 CDAERP COCC1CC[NH+](CCOc2ccc(C(N)=[NH2+])cc2)CC1 ZINC000070081195 522932578 /nfs/dbraw/zinc/93/25/78/522932578.db2.gz QXCOFKYCQMVZCX-UHFFFAOYSA-N 2 0 291.395 1.708 10 0 CDAERP C[N@H+](C[C@H]1CCCCO1)CC1(C[NH3+])CCOCC1 ZINC000052182398 523109672 /nfs/dbraw/zinc/10/96/72/523109672.db2.gz BSYZLKCBRPIRHE-CYBMUJFWSA-N 2 0 256.390 1.243 10 0 CDAERP CC[C@@]1(C(=O)N2CCC([NH+]3CCCC3)CC2)CC[NH2+]C1 ZINC000062897262 523691430 /nfs/dbraw/zinc/69/14/30/523691430.db2.gz DPEHUZYBJIAUHP-MRXNPFEDSA-N 2 0 279.428 1.463 10 0 CDAERP CC[C@@]1(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)CCC[NH2+]C1 ZINC000062859277 523693774 /nfs/dbraw/zinc/69/37/74/523693774.db2.gz NHMKJTVYLKYJHE-GDBMZVCRSA-N 2 0 283.460 1.859 10 0 CDAERP COC(=O)[C@H](C)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063200127 523866397 /nfs/dbraw/zinc/86/63/97/523866397.db2.gz WPQQNOJTENUYNC-DGCLKSJQSA-N 2 0 254.374 1.260 10 0 CDAERP CC[C@H](C)[NH+]1CCN(CCCC[NH2+]CCOC)CC1 ZINC000055075337 523953002 /nfs/dbraw/zinc/95/30/02/523953002.db2.gz BVFSIDQBTDCFPY-HNNXBMFYSA-N 2 0 271.449 1.419 10 0 CDAERP CC[C@H](C)[NH+]1CCN(Cc2occc2C[NH2+]C)CC1 ZINC000055073818 523956537 /nfs/dbraw/zinc/95/65/37/523956537.db2.gz ZSXNDSJLGZPPDG-ZDUSSCGKSA-N 2 0 265.401 1.915 10 0 CDAERP C[NH+](C)CC(C)(C)CN1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054601663 524045658 /nfs/dbraw/zinc/04/56/58/524045658.db2.gz LXUOADRKERXTRM-AGUYFDCRSA-N 2 0 253.434 1.918 10 0 CDAERP C[C@H]1CCC[C@@](C[NH3+])(N2CCN(CC[NH+](C)C)CC2)C1 ZINC000061643189 524171295 /nfs/dbraw/zinc/17/12/95/524171295.db2.gz GJXHWPPFOBEYPY-JKSUJKDBSA-N 2 0 282.476 1.073 10 0 CDAERP Cc1cc(C)c(C(N)=[NH2+])c(N2CCC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000062940969 524218695 /nfs/dbraw/zinc/21/86/95/524218695.db2.gz XYCLHKLEVJYOID-CYBMUJFWSA-N 2 0 287.411 1.657 10 0 CDAERP C[C@@H](C[NH+]1CCCC1)NC(=O)[C@H]1C[C@@H]([NH3+])CC[C@@H]1C ZINC000055140717 524590558 /nfs/dbraw/zinc/59/05/58/524590558.db2.gz DZJJFRHRFJLVID-XUXIUFHCSA-N 2 0 267.417 1.350 10 0 CDAERP C[C@H]([NH3+])[C@H](N(C)CC[NH+]1CCCC1)C(F)(F)F ZINC000063050980 524851989 /nfs/dbraw/zinc/85/19/89/524851989.db2.gz XIMKWWUPJJMPIL-UWVGGRQHSA-N 2 0 253.312 1.292 10 0 CDAERP C[C@H]1C[C@H](C(=O)NCC(C)(C)C[NH+](C)C)CC[C@@H]1[NH3+] ZINC000055125287 524868669 /nfs/dbraw/zinc/86/86/69/524868669.db2.gz SCNVIJVYJXIQRN-XQQFMLRXSA-N 2 0 269.433 1.454 10 0 CDAERP CSCC[C@H](C[NH3+])N1CC[NH+](CC(C)C)CC1 ZINC000055077936 525565930 /nfs/dbraw/zinc/56/59/30/525565930.db2.gz SJCIWSHTXFBQOG-CYBMUJFWSA-N 2 0 259.463 1.340 10 0 CDAERP C[C@@H]1[C@@H]([NH3+])CCC[C@@H]1C(=O)N1CCC([NH+](C)C)CC1 ZINC000055128212 525663806 /nfs/dbraw/zinc/66/38/06/525663806.db2.gz MSGMCAPGJQPLLK-UBHSHLNASA-N 2 0 267.417 1.303 10 0 CDAERP C[NH2+]C[C@@H](C)CNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000418388762 536450424 /nfs/dbraw/zinc/45/04/24/536450424.db2.gz NPTTVQFWMMCHAM-VXGBXAGGSA-N 2 0 278.400 1.361 10 0 CDAERP O=C(CC[C@H]1CCC[NH2+]C1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062942849 526569580 /nfs/dbraw/zinc/56/95/80/526569580.db2.gz UBFNWTKZEGTOOR-HUUCEWRRSA-N 2 0 279.428 1.463 10 0 CDAERP Cc1nocc1C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000339293664 526691364 /nfs/dbraw/zinc/69/13/64/526691364.db2.gz PAHIDNQRBRUXPZ-UHFFFAOYSA-N 2 0 266.389 1.099 10 0 CDAERP Cc1[nH+]c2cc(N)ccc2n1CCC[NH+]1CCOCC1 ZINC000052852454 527121950 /nfs/dbraw/zinc/12/19/50/527121950.db2.gz XHFUSAWUYCSBGK-UHFFFAOYSA-N 2 0 274.368 1.649 10 0 CDAERP [NH3+]CC1(C[N@@H+]2CCc3ccccc3C2)CCOCC1 ZINC000052181013 527163715 /nfs/dbraw/zinc/16/37/15/527163715.db2.gz DICHSRZNBKRWCI-UHFFFAOYSA-N 2 0 260.381 1.800 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@@H](C(=O)NCCC[NH+]2CCCC2)C1 ZINC000062073465 527213628 /nfs/dbraw/zinc/21/36/28/527213628.db2.gz MUXVWHNVMOREGP-ZIAGYGMSSA-N 2 0 267.417 1.354 10 0 CDAERP CCC[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000105845875 534927131 /nfs/dbraw/zinc/92/71/31/534927131.db2.gz SNPQWWYDAMZJOA-HNNXBMFYSA-N 2 0 269.433 1.123 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2C[NH+](C(C)C)C[C@@H]2C)C1 ZINC000247000345 535579224 /nfs/dbraw/zinc/57/92/24/535579224.db2.gz GVDSSQFDEPFNQK-KKUMJFAQSA-N 2 0 296.459 1.499 10 0 CDAERP CC[C@@H]1C[C@H](C[NH2+]CCCN2CC[NH2+]CC2)CCO1 ZINC000414783159 535899845 /nfs/dbraw/zinc/89/98/45/535899845.db2.gz PYHZZAZBKLEJJH-HUUCEWRRSA-N 2 0 269.433 1.077 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CC(C)(C)N1CCC[C@H](C)C1 ZINC000422752281 536594024 /nfs/dbraw/zinc/59/40/24/536594024.db2.gz DORGRRTVCCQICG-LSDHHAIUSA-N 2 0 285.476 1.840 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCOc1cccc(F)c1 ZINC000422946773 536595457 /nfs/dbraw/zinc/59/54/57/536595457.db2.gz PHOBMSZZRODVPB-CYBMUJFWSA-N 2 0 270.348 1.548 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](c1cccc(F)c1)N(C)C ZINC000422726821 536595887 /nfs/dbraw/zinc/59/58/87/536595887.db2.gz GAIYAOJJRXTABN-HZPDHXFCSA-N 2 0 297.418 1.772 10 0 CDAERP C[C@@H](CC[NH3+])CCCNc1ccnn1C1C[NH2+]C1 ZINC000725258526 538452915 /nfs/dbraw/zinc/45/29/15/538452915.db2.gz RIGKIHTWGVIEAW-LLVKDONJSA-N 2 0 251.378 1.204 10 0 CDAERP CC[N@@H+]1CC[C@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC000729688655 574821389 /nfs/dbraw/zinc/82/13/89/574821389.db2.gz SONLWTIAHHCREV-OAHLLOKOSA-N 2 0 281.444 1.711 10 0 CDAERP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccoc2)CC1 ZINC000729681275 574820305 /nfs/dbraw/zinc/82/03/05/574820305.db2.gz LQYHCEDBGLYEEG-AWEZNQCLSA-N 2 0 265.401 1.643 10 0 CDAERP CON(C)C(=O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000774606755 575219234 /nfs/dbraw/zinc/21/92/34/575219234.db2.gz GHRQLWIGPMEHAH-UHFFFAOYSA-N 2 0 271.405 1.058 10 0 CDAERP C[NH+](C)C1(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CCC1 ZINC000763042640 576703141 /nfs/dbraw/zinc/70/31/41/576703141.db2.gz ZBOLNXJIXCHMAA-UHFFFAOYSA-N 2 0 285.351 1.690 10 0 CDAERP CCC[N@H+](CCCNC(=O)[C@@]12CC[NH+](C1)CCC2)C1CC1 ZINC001690013958 1175345512 /nfs/dbraw/zinc/34/55/12/1175345512.db2.gz KIWHKHKLGRISBB-KRWDZBQOSA-N 2 0 293.455 1.853 10 0 CDAERP COCCCN(C)CC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925516409 617425779 /nfs/dbraw/zinc/42/57/79/617425779.db2.gz KYIAOZHJRBGDSI-ZIAGYGMSSA-N 2 0 271.449 1.450 10 0 CDAERP NC(=O)c1cccc(CC[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925591318 617537574 /nfs/dbraw/zinc/53/75/74/617537574.db2.gz APFDEHFRSTWMNA-KBPBESRZSA-N 2 0 273.380 1.188 10 0 CDAERP CC(C)(C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)C(N)=O ZINC000925601522 617544308 /nfs/dbraw/zinc/54/43/08/617544308.db2.gz LPIQMWQXKUZSKZ-OLZOCXBDSA-N 2 0 267.417 1.256 10 0 CDAERP CC(C)C(=O)NCCC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925624756 617571405 /nfs/dbraw/zinc/57/14/05/617571405.db2.gz BHEFLYSFGXHLJT-HZSPNIEDSA-N 2 0 281.444 1.515 10 0 CDAERP CC(C)C(=O)NCCC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925627137 617573931 /nfs/dbraw/zinc/57/39/31/617573931.db2.gz WYJWOAWGWORJKQ-HZPDHXFCSA-N 2 0 295.471 1.907 10 0 CDAERP Cc1cnc(CC[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)cn1 ZINC000925686762 617674611 /nfs/dbraw/zinc/67/46/11/617674611.db2.gz YEFXABLURYGSQB-QLFBSQMISA-N 2 0 274.412 1.694 10 0 CDAERP O=C1O[C@H](C[NH2+]C2CCSCC2)CC12CC[NH2+]CC2 ZINC000925858206 617896637 /nfs/dbraw/zinc/89/66/37/617896637.db2.gz XXSXWTFWXMCDGG-LBPRGKRZSA-N 2 0 284.425 1.157 10 0 CDAERP CC1(C)C[C@@H]([NH2+][C@@H]2COc3ccccc3[C@@H]2O)C[C@@H]([NH3+])C1 ZINC000925669020 617625448 /nfs/dbraw/zinc/62/54/48/617625448.db2.gz NQCXEYZJAQJEEI-FIRUKDTASA-N 2 0 290.407 1.977 10 0 CDAERP CC(C)NC(=O)[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925689738 617689427 /nfs/dbraw/zinc/68/94/27/617689427.db2.gz JLPCALUCCQJARE-SDDRHHMPSA-N 2 0 255.406 1.395 10 0 CDAERP C(C[C@H]1CC[NH2+]C1)[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000925694293 617714857 /nfs/dbraw/zinc/71/48/57/617714857.db2.gz RVYUKNSAYPCFGL-APIJFGDWSA-N 2 0 252.402 1.781 10 0 CDAERP COCC1(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CC[NH2+]CC1 ZINC000925698117 617734002 /nfs/dbraw/zinc/73/40/02/617734002.db2.gz BXNRTLOCCVYQTC-UONOGXRCSA-N 3 0 283.460 1.498 10 0 CDAERP CC[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CCO1 ZINC000925707914 617796504 /nfs/dbraw/zinc/79/65/04/617796504.db2.gz QBIQFTCOZVNDSF-NKBNKFCXSA-N 2 0 250.386 1.530 10 0 CDAERP Cc1cc(CC[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)nn1C ZINC000925836021 617865104 /nfs/dbraw/zinc/86/51/04/617865104.db2.gz ZEMHWEADBMCSGN-JSGCOSHPSA-N 2 0 264.417 1.767 10 0 CDAERP CCO[C@@H](CN[C@H](C)c1ccc(C[NH3+])nc1C)C[NH+](C)C ZINC000925836813 617866744 /nfs/dbraw/zinc/86/67/44/617866744.db2.gz DICMBHCCRJDVHY-DOMZBBRYSA-N 2 0 294.443 1.466 10 0 CDAERP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925840327 617871071 /nfs/dbraw/zinc/87/10/71/617871071.db2.gz VDKYIHLDQHEIKC-OXGONZEZSA-N 3 0 263.429 1.496 10 0 CDAERP C[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)C1CC[NH+](C)CC1 ZINC000925843372 617876056 /nfs/dbraw/zinc/87/60/56/617876056.db2.gz FNNJCOFFUMRMDR-MRXNPFEDSA-N 3 0 296.503 1.382 10 0 CDAERP FC(F)(F)[C@]1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCCN1 ZINC000925857285 617895428 /nfs/dbraw/zinc/89/54/28/617895428.db2.gz SKIAXIZSRUAYOO-YVECIDJPSA-N 2 0 291.361 1.649 10 0 CDAERP Cc1nccnc1CC[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000926491635 617898973 /nfs/dbraw/zinc/89/89/73/617898973.db2.gz YSVAISXOUJSUGH-HOTGVXAUSA-N 2 0 274.412 1.934 10 0 CDAERP COC[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C(C)C ZINC000925874665 617941985 /nfs/dbraw/zinc/94/19/85/617941985.db2.gz UFBCDKPFZFPWMK-APIJFGDWSA-N 2 0 254.418 1.883 10 0 CDAERP [NH3+][C@@H]1CC[C@H](C[NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000925875992 617948440 /nfs/dbraw/zinc/94/84/40/617948440.db2.gz PMWCMRMSFROQOW-NWDGAFQWSA-N 2 0 280.441 1.829 10 0 CDAERP O[C@H]1C[C@H](C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925732177 618040452 /nfs/dbraw/zinc/04/04/52/618040452.db2.gz WOFJMMPBOBBXRG-NGFQHRJXSA-N 2 0 252.402 1.515 10 0 CDAERP CC(C)O[C@@]1(C[NH2+]Cc2cnccc2N(C)C)CCOC1 ZINC000922613415 618301591 /nfs/dbraw/zinc/30/15/91/618301591.db2.gz WWOHGJBKEPQEHL-MRXNPFEDSA-N 2 0 293.411 1.821 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCN(CC(F)(F)F)C1 ZINC000924867275 618419641 /nfs/dbraw/zinc/41/96/41/618419641.db2.gz DUGBBQITLNLMJL-FXJUQPSGSA-N 2 0 291.361 1.553 10 0 CDAERP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)C1 ZINC000924965020 618470662 /nfs/dbraw/zinc/47/06/62/618470662.db2.gz MWDIOYBTUKXPFH-ZJIFWQFVSA-N 2 0 291.439 1.518 10 0 CDAERP C[C@H](C[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2)N1CC[NH+](C)CC1 ZINC000924967041 618484095 /nfs/dbraw/zinc/48/40/95/618484095.db2.gz WAFUYHRUKZDJPH-QKPAOTATSA-N 2 0 263.429 1.567 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1cn(-c2ccccc2)nn1 ZINC000817907419 618487512 /nfs/dbraw/zinc/48/75/12/618487512.db2.gz NUAMOQHBVWXWHN-CYBMUJFWSA-N 2 0 289.383 1.111 10 0 CDAERP C[C@H](C[NH2+]C1CC2(C1)COC(C)(C)C2)N1CC[NH+](C)CC1 ZINC000924967883 618488096 /nfs/dbraw/zinc/48/80/96/618488096.db2.gz ZUPWTPUKTOUUPR-HPUBIQBYSA-N 2 0 295.471 1.560 10 0 CDAERP [NH3+]Cc1ccc2c(c1)CCCN2C(=O)C[C@@H]([NH3+])C1CC1 ZINC000841848554 618719141 /nfs/dbraw/zinc/71/91/41/618719141.db2.gz LOIXRNCWSSHBFB-CQSZACIVSA-N 2 0 273.380 1.552 10 0 CDAERP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CCC[C@]23CCCO3)CC1 ZINC000895680202 619802013 /nfs/dbraw/zinc/80/20/13/619802013.db2.gz KGMQMPBOFXNMCA-WBVHZDCISA-N 2 0 296.455 1.913 10 0 CDAERP C[NH+]1CCC2(CCCN2C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC000897288014 620471259 /nfs/dbraw/zinc/47/12/59/620471259.db2.gz PWPMXOBDOGLQLP-INIZCTEOSA-N 2 0 291.439 1.559 10 0 CDAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CCC(C)(O)CC1 ZINC000925220483 620570576 /nfs/dbraw/zinc/57/05/76/620570576.db2.gz DRZALJDDPXZYPY-HONBEQNRSA-N 2 0 252.402 1.610 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]([NH+](C)C)C23CCC3)CC[N@@H+]1C ZINC000898830485 621890407 /nfs/dbraw/zinc/89/04/07/621890407.db2.gz FOAUEJBHVRAMCS-AJNGGQMLSA-N 2 0 293.455 1.706 10 0 CDAERP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C(C)(C)C[NH+](C)C ZINC000900834529 623550795 /nfs/dbraw/zinc/55/07/95/623550795.db2.gz YPJVYAKKBRNXGQ-GFCCVEGCSA-N 2 0 267.417 1.175 10 0 CDAERP CCCC(=O)NC[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903432850 625990391 /nfs/dbraw/zinc/99/03/91/625990391.db2.gz NMEHQDDFKQWFLE-ILXRZTDVSA-N 2 0 281.444 1.742 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000903460870 625996034 /nfs/dbraw/zinc/99/60/34/625996034.db2.gz KNCBYTQPNCZDIY-CWVYHPPDSA-N 3 0 281.444 1.203 10 0 CDAERP FC1(F)[C@@H]2C[C@@H](C[NH+]3CCN([C@@H]4CC[NH2+]C4)CC3)C[C@@H]21 ZINC000903452861 626000998 /nfs/dbraw/zinc/00/09/98/626000998.db2.gz SXYOAMUOZINLEY-SYQHCUMBSA-N 2 0 285.382 1.257 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC000903474445 626004545 /nfs/dbraw/zinc/00/45/45/626004545.db2.gz MIYULUWMIDMIRL-UHFFFAOYSA-N 2 0 261.369 1.836 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CN(CC[NH3+])Cc1cccc(Cl)c1 ZINC000903481626 626006344 /nfs/dbraw/zinc/00/63/44/626006344.db2.gz IBSFAQAFBQDGPF-OCCSQVGLSA-N 2 0 281.831 1.956 10 0 CDAERP O=S1(=O)CCC(C[NH2+][C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000903485066 626007453 /nfs/dbraw/zinc/00/74/53/626007453.db2.gz ZSUUGVYQUFFTRY-ZDUSSCGKSA-N 2 0 286.441 1.076 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ccc(C)cn1)C2 ZINC000903493428 626011056 /nfs/dbraw/zinc/01/10/56/626011056.db2.gz RTBACFUVPWNKED-ZENOOKHLSA-N 2 0 289.379 1.102 10 0 CDAERP COC(=O)C[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC000903886970 626133290 /nfs/dbraw/zinc/13/32/90/626133290.db2.gz WZTJIPDTTMDUTE-YHWZYXNKSA-N 2 0 254.374 1.400 10 0 CDAERP CC(C)C(=O)NCC[N@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903898136 626136759 /nfs/dbraw/zinc/13/67/59/626136759.db2.gz JMZIMHPVAAYCDK-AGUYFDCRSA-N 2 0 267.417 1.221 10 0 CDAERP COC(=O)CC1([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC000903903361 626139454 /nfs/dbraw/zinc/13/94/54/626139454.db2.gz UJEUAEKKLWNUDR-YHWZYXNKSA-N 2 0 266.385 1.592 10 0 CDAERP O=C1CCCN1C[C@@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903932558 626152280 /nfs/dbraw/zinc/15/22/80/626152280.db2.gz DRGNPRFUWXQRDS-WZYMTQMTSA-N 2 0 291.439 1.461 10 0 CDAERP CO[C@@H]1CC[N@H+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)[C@H](C)C1 ZINC000903915864 626156021 /nfs/dbraw/zinc/15/60/21/626156021.db2.gz COQIEWRDGDJYEA-XNRPHZJLSA-N 2 0 294.443 1.345 10 0 CDAERP [NH3+][C@@H](CC(F)F)CN1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903960196 626159843 /nfs/dbraw/zinc/15/98/43/626159843.db2.gz YRVOOQVUPVEJDH-WCQYABFASA-N 2 0 261.360 1.435 10 0 CDAERP Cc1nc2ccccn2c1CNC[C@@H]1C[NH2+]CCC1(F)F ZINC000903955245 626166315 /nfs/dbraw/zinc/16/63/15/626166315.db2.gz NQYAGYDTBXZZNV-LBPRGKRZSA-N 2 0 294.349 1.977 10 0 CDAERP CC(C)(C)[NH2+]CCN[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903970202 626167865 /nfs/dbraw/zinc/16/78/65/626167865.db2.gz RWUSTGOMCBXHTM-CYBMUJFWSA-N 2 0 269.433 1.123 10 0 CDAERP Cc1nn(C)c2ncc(C[N@H+]3C[C@@H](C)[C@H](CC[NH3+])C3)cc12 ZINC000903977328 626169771 /nfs/dbraw/zinc/16/97/71/626169771.db2.gz OYODKRNIZDUVFE-BXUZGUMPSA-N 2 0 287.411 1.693 10 0 CDAERP C[C@@H]1C[N@H+](Cc2ccc3c(c2)nnn3C)C[C@H]1CC[NH3+] ZINC000903976825 626169788 /nfs/dbraw/zinc/16/97/88/626169788.db2.gz CIJHSHUNIFWIEF-DGCLKSJQSA-N 2 0 273.384 1.385 10 0 CDAERP C[N@@H+]1CCC[C@H](CNC(=[NH2+])NC[C@@H]2CCCS2)C1 ZINC000905043488 626382401 /nfs/dbraw/zinc/38/24/01/626382401.db2.gz VPJVTLHSSATPCB-NEPJUHHUSA-N 2 0 270.446 1.338 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=[NH2+])NC[C@@H]1CCCS1 ZINC000905043515 626382525 /nfs/dbraw/zinc/38/25/25/626382525.db2.gz XRLWKYKJWYLMNO-NEPJUHHUSA-N 2 0 272.462 1.726 10 0 CDAERP C[C@H](CNC(=[NH2+])NC[C@@H]1CCCS1)C[NH+]1CCCC1 ZINC000905043648 626382909 /nfs/dbraw/zinc/38/29/09/626382909.db2.gz XJKDYDPCDFSAMI-OLZOCXBDSA-N 2 0 284.473 1.728 10 0 CDAERP CC[C@@H]1[NH2+]CC[C@H]1c1nc(CC2CC[NH2+]CC2)no1 ZINC000905313674 626744228 /nfs/dbraw/zinc/74/42/28/626744228.db2.gz MRWQDFJGMJNKJO-NEPJUHHUSA-N 2 0 264.373 1.467 10 0 CDAERP C[C@H](Cc1nc(CC2CC[NH2+]CC2)no1)[C@H]1CCC[NH2+]C1 ZINC000905317029 626745569 /nfs/dbraw/zinc/74/55/69/626745569.db2.gz DUKXNMUJATXTHY-OCCSQVGLSA-N 2 0 292.427 1.790 10 0 CDAERP CCN(CCC[NH+](C)C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000907650881 627764702 /nfs/dbraw/zinc/76/47/02/627764702.db2.gz MQIWSYUDPRDJNB-CABCVRRESA-N 2 0 281.444 1.804 10 0 CDAERP CCCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](C)C1 ZINC000911512572 629312584 /nfs/dbraw/zinc/31/25/84/629312584.db2.gz RTZMSZXICUAMIG-CYBMUJFWSA-N 2 0 265.401 1.025 10 0 CDAERP C[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000915073410 631642018 /nfs/dbraw/zinc/64/20/18/631642018.db2.gz RIPYCJBXBRUSQD-KFWWJZLASA-N 2 0 296.459 1.499 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[NH+](C)[C@H]1C ZINC000917899715 632294986 /nfs/dbraw/zinc/29/49/86/632294986.db2.gz XYXMFLTWHJPEET-BFHYXJOUSA-N 2 0 282.432 1.253 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000920515961 632801198 /nfs/dbraw/zinc/80/11/98/632801198.db2.gz XQAFBVFZAKKWJK-HIFRSBDPSA-N 2 0 296.459 1.500 10 0 CDAERP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3cc[nH]c(=O)c3)C2)CC1 ZINC000921733851 633249295 /nfs/dbraw/zinc/24/92/95/633249295.db2.gz RDNBFDJIEXIQRV-AWEZNQCLSA-N 2 0 290.411 1.045 10 0 CDAERP CN(CC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)CC(F)F ZINC000925725162 712350671 /nfs/dbraw/zinc/35/06/71/712350671.db2.gz QSSIJAKKJVVSJC-WDEREUQCSA-N 2 0 263.376 1.679 10 0 CDAERP CC[C@H](C)NC(=S)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000849275152 712497974 /nfs/dbraw/zinc/49/79/74/712497974.db2.gz JDFXLVGZYGIRDA-STQMWFEESA-N 2 0 288.505 1.521 10 0 CDAERP CCCC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001670691676 1158693372 /nfs/dbraw/zinc/69/33/72/1158693372.db2.gz LIYALQSNHNIIEB-ZIAGYGMSSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001417759098 1158703140 /nfs/dbraw/zinc/70/31/40/1158703140.db2.gz QMRJUEZUTPLHLK-CVEARBPZSA-N 2 0 295.471 1.907 10 0 CDAERP CCC[NH2+][C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001266951766 1159009655 /nfs/dbraw/zinc/00/96/55/1159009655.db2.gz XOBVDVPYOBNDTR-HBNTYKKESA-N 2 0 250.346 1.018 10 0 CDAERP CCC[NH2+]CCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001691359896 1159034656 /nfs/dbraw/zinc/03/46/56/1159034656.db2.gz HRBHLRWSILJEMJ-UONOGXRCSA-N 2 0 267.417 1.461 10 0 CDAERP Cc1nccn1CC(=O)NC[C@H]1C[C@@H]([NH2+]CCCF)C1 ZINC001691126703 1158923119 /nfs/dbraw/zinc/92/31/19/1158923119.db2.gz VQFBVOIFGXOTOS-BETUJISGSA-N 2 0 282.363 1.036 10 0 CDAERP CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+][C@@H](C)COC ZINC001481838744 1159948904 /nfs/dbraw/zinc/94/89/04/1159948904.db2.gz GRVLMZKBSRXVNJ-UONOGXRCSA-N 2 0 299.459 1.380 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]CC1CCC1 ZINC001270128790 1160091356 /nfs/dbraw/zinc/09/13/56/1160091356.db2.gz JOZVMURGNWQQSH-CQSZACIVSA-N 2 0 267.417 1.319 10 0 CDAERP CC(C)C[C@H](C[NH2+]C(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001271310943 1160320779 /nfs/dbraw/zinc/32/07/79/1160320779.db2.gz FTZWUHHEBGQUHO-UONOGXRCSA-N 2 0 269.433 1.467 10 0 CDAERP C[C@@H]1C[C@@H]1NC(=[NH2+])NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000864465490 1164549476 /nfs/dbraw/zinc/54/94/76/1164549476.db2.gz YFVTUHGSXNUCRK-UPJWGTAASA-N 2 0 268.405 1.010 10 0 CDAERP CCC[NH+]1CCC([NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)CC1 ZINC000866445933 1164782545 /nfs/dbraw/zinc/78/25/45/1164782545.db2.gz BNTZAVHTIQEVMF-AMSCCUFHSA-N 2 0 264.413 1.874 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000870988399 1165249477 /nfs/dbraw/zinc/24/94/77/1165249477.db2.gz OOUBHRLSOHXVGL-KNPMLCFXSA-N 2 0 279.428 1.337 10 0 CDAERP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000872145679 1165384848 /nfs/dbraw/zinc/38/48/48/1165384848.db2.gz WJVTVISLTDGXPK-OLZOCXBDSA-N 2 0 252.402 1.923 10 0 CDAERP CO[C@H]1C[C@@H](C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)C1 ZINC000872145839 1165384873 /nfs/dbraw/zinc/38/48/73/1165384873.db2.gz WSFOFZYCOZLRRP-DMRZNYOFSA-N 2 0 282.428 1.630 10 0 CDAERP C[NH+](C)C1(C(=O)Nc2ccc3c[nH+]cn3c2)CCC1 ZINC001636202650 1166663053 /nfs/dbraw/zinc/66/30/53/1166663053.db2.gz JPYRBUGHPPESNV-UHFFFAOYSA-N 2 0 258.325 1.757 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[C@@H]2C[NH+](C)C[C@H]12 ZINC001647009644 1168345923 /nfs/dbraw/zinc/34/59/23/1168345923.db2.gz KOUJOWRWHPSYBA-LXTVHRRPSA-N 2 0 279.428 1.317 10 0 CDAERP CCC/C=C\CC[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001567319038 1168677232 /nfs/dbraw/zinc/67/72/32/1168677232.db2.gz XJGWCPNFWIVHMT-XHPSBEMXSA-N 2 0 281.444 1.733 10 0 CDAERP Cc1ccc(C[NH2+]CCN(C)C(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001567605419 1168883459 /nfs/dbraw/zinc/88/34/59/1168883459.db2.gz ZLYLUZFLZDPWDU-INIZCTEOSA-N 2 0 289.423 1.495 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001567764341 1168958667 /nfs/dbraw/zinc/95/86/67/1168958667.db2.gz UFSYPJLUKBJOMH-ZIAGYGMSSA-N 2 0 267.417 1.461 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001568176502 1169161692 /nfs/dbraw/zinc/16/16/92/1169161692.db2.gz WARQJJGPDGJSPB-OLZOCXBDSA-N 2 0 287.423 1.561 10 0 CDAERP CCC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001571465614 1170440599 /nfs/dbraw/zinc/44/05/99/1170440599.db2.gz IAYLHCRHNYJPBG-ZIAGYGMSSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)COCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001571485670 1170451090 /nfs/dbraw/zinc/45/10/90/1170451090.db2.gz UQOHIABAMCYVEL-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCCF)C[C@@H]1C ZINC001671251546 1171158457 /nfs/dbraw/zinc/15/84/57/1171158457.db2.gz LBBLCAQHLMLNRF-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)C[C@@H]1CCCCO1 ZINC001660081689 1172155265 /nfs/dbraw/zinc/15/52/65/1172155265.db2.gz XHHNQSZRKPBBKV-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP O=C(N1CC[C@H](C[NH2+]CCF)C1)C12CCC[NH+]1CCC2 ZINC001662654365 1172576144 /nfs/dbraw/zinc/57/61/44/1172576144.db2.gz HNCSXOZGDVFXOO-CYBMUJFWSA-N 2 0 283.391 1.022 10 0 CDAERP CCOCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001666902126 1173205082 /nfs/dbraw/zinc/20/50/82/1173205082.db2.gz DNXUSTDRLDPRGW-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP C[C@@H](C[NH2+]CCF)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001667008491 1173221141 /nfs/dbraw/zinc/22/11/41/1173221141.db2.gz VEKDVYBKNFFFDN-KBPBESRZSA-N 2 0 287.423 1.657 10 0 CDAERP CCC[NH2+]C[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001669702939 1173588370 /nfs/dbraw/zinc/58/83/70/1173588370.db2.gz JXEPBFAQNZILNV-ZDUSSCGKSA-N 2 0 269.433 1.611 10 0 CDAERP CC[NH2+]CC[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001672815296 1173801672 /nfs/dbraw/zinc/80/16/72/1173801672.db2.gz FZAKKVPEATUPRW-OAHLLOKOSA-N 2 0 293.455 1.711 10 0 CDAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCF)C1 ZINC001675801417 1174149258 /nfs/dbraw/zinc/14/92/58/1174149258.db2.gz CAESGEXOAJMUCS-RBSFLKMASA-N 2 0 299.434 1.703 10 0 CDAERP CC(C)OCC[N@H+](C)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001689834592 1175280932 /nfs/dbraw/zinc/28/09/32/1175280932.db2.gz QSUDWCRMJXINJF-UHFFFAOYSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCOCC)C1 ZINC001690093182 1175371655 /nfs/dbraw/zinc/37/16/55/1175371655.db2.gz MZLQMRUYSLWULQ-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CCC[NH2+][C@@H](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001690843065 1175587278 /nfs/dbraw/zinc/58/72/78/1175587278.db2.gz LPAKWSZJTHJLML-JSGCOSHPSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC1CC1 ZINC001699099889 1176091199 /nfs/dbraw/zinc/09/11/99/1176091199.db2.gz NHBDXLIFOPBWBF-ZFWWWQNUSA-N 2 0 281.444 1.754 10 0 CDAERP C[C@@H](CC[NH2+]CCCF)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001699148599 1176112847 /nfs/dbraw/zinc/11/28/47/1176112847.db2.gz VCGBWOHERSZRLX-STQMWFEESA-N 2 0 273.396 1.172 10 0 CDAERP CCCC[NH2+]C/C=C\CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001699336881 1176259974 /nfs/dbraw/zinc/25/99/74/1176259974.db2.gz VJALPSAVGPSPEH-GXMNPTEKSA-N 2 0 267.417 1.390 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001699367299 1176321957 /nfs/dbraw/zinc/32/19/57/1176321957.db2.gz ISCOPJGLKWBJBP-ZIAGYGMSSA-N 2 0 267.417 1.531 10 0 CDAERP CC(C)OCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001699440790 1176404193 /nfs/dbraw/zinc/40/41/93/1176404193.db2.gz BRQOXIFPYJXCHH-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP C[NH+](C)C1(C(=O)N2CC[C@@](C)(C[NH2+]CCF)C2)CCC1 ZINC001699838095 1176651895 /nfs/dbraw/zinc/65/18/95/1176651895.db2.gz TZOSUJGLSTVKQE-AWEZNQCLSA-N 2 0 285.407 1.268 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H](CC[NH2+]CCF)C2)C1 ZINC001700086129 1176743284 /nfs/dbraw/zinc/74/32/84/1176743284.db2.gz YSBVBKPDGKCISP-KBPBESRZSA-N 2 0 285.407 1.126 10 0 CDAERP COCCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]1C ZINC001700323746 1176850416 /nfs/dbraw/zinc/85/04/16/1176850416.db2.gz LORSRJHBAHMWCN-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP CC/C=C\CC[NH+]1CC([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001700542669 1177007587 /nfs/dbraw/zinc/00/75/87/1177007587.db2.gz IZPZFOHVZMTFGD-AFNCTOJWSA-N 2 0 281.444 1.731 10 0 CDAERP CC(C)OCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001700755722 1177115123 /nfs/dbraw/zinc/11/51/23/1177115123.db2.gz RSURFNARMZQGAH-HUUCEWRRSA-N 2 0 299.459 1.332 10 0 CDAERP CCCC[NH2+][C@@H](CO)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001700789443 1177134031 /nfs/dbraw/zinc/13/40/31/1177134031.db2.gz NPHKMUVZCBKTFC-CQSZACIVSA-N 2 0 299.459 1.118 10 0 CDAERP C[C@@H]1[C@H](C(=O)NCCC[NH+](C)C/C=C\Cl)CC[N@@H+]1C ZINC001712948312 1178261870 /nfs/dbraw/zinc/26/18/70/1178261870.db2.gz WPUDHNGCGVOBCK-PWNWJAOYSA-N 2 0 287.835 1.517 10 0 CDAERP CN(C(=O)CCCC[NH+](C)C)C1CC[NH+](CCCO)CC1 ZINC001713057322 1178333484 /nfs/dbraw/zinc/33/34/84/1178333484.db2.gz IYCCTOABIXFTQV-UHFFFAOYSA-N 2 0 299.459 1.024 10 0 CDAERP CC[N@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001713484518 1178600216 /nfs/dbraw/zinc/60/02/16/1178600216.db2.gz KVBFCKCXRIKTMK-AWEZNQCLSA-N 2 0 267.417 1.175 10 0 CDAERP Cc1cccnc1C[NH2+]CCN(C)C(=O)CCC[NH+](C)C ZINC001713628833 1178688275 /nfs/dbraw/zinc/68/82/75/1178688275.db2.gz XQTOHAJBGIBYBS-UHFFFAOYSA-N 2 0 292.427 1.280 10 0 CDAERP CCC[NH2+][C@H](CNC(=O)C[N@H+](C)C(C)C)C1CC1 ZINC001713886457 1178816226 /nfs/dbraw/zinc/81/62/26/1178816226.db2.gz UZKLQTMMZPUITC-CYBMUJFWSA-N 2 0 255.406 1.221 10 0 CDAERP C[C@H](F)CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001714345630 1179098162 /nfs/dbraw/zinc/09/81/62/1179098162.db2.gz FFOHULQRLNSNON-BFHYXJOUSA-N 2 0 285.407 1.409 10 0 CDAERP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)C[NH2+]CCCF ZINC001714398070 1179123251 /nfs/dbraw/zinc/12/32/51/1179123251.db2.gz TXAFRPZLBRCZDA-LBPRGKRZSA-N 2 0 273.396 1.172 10 0 CDAERP CC(C)=CC[N@@H+]1CC[C@@H](CCNC(=O)Cn2ccnc2)C1 ZINC001714884481 1179437346 /nfs/dbraw/zinc/43/73/46/1179437346.db2.gz MZEUJKRONYIPTM-OAHLLOKOSA-N 2 0 290.411 1.678 10 0 CDAERP CC1CC(C[NH+]2CC(CNC(=O)CCCC[NH+](C)C)C2)C1 ZINC001714978367 1179487949 /nfs/dbraw/zinc/48/79/49/1179487949.db2.gz PJUUPEZADUBDQI-UHFFFAOYSA-N 2 0 295.471 1.812 10 0 CDAERP C[C@@](C[NH2+]CCF)(NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001715110722 1179555696 /nfs/dbraw/zinc/55/56/96/1179555696.db2.gz MZPDOAKLRNZNEB-HOCLYGCPSA-N 2 0 297.418 1.172 10 0 CDAERP CC[NH2+]CCC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001715175784 1179570284 /nfs/dbraw/zinc/57/02/84/1179570284.db2.gz JXJZBEUEDFYQHH-OAHLLOKOSA-N 2 0 281.444 1.566 10 0 CDAERP CCC[NH2+]C[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001715249979 1179597007 /nfs/dbraw/zinc/59/70/07/1179597007.db2.gz GVPMRHWBHKAJJZ-GFCCVEGCSA-N 2 0 255.406 1.080 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CCCF ZINC001715580913 1179724134 /nfs/dbraw/zinc/72/41/34/1179724134.db2.gz YGGGBKHAIHEMJV-ZIAGYGMSSA-N 2 0 287.423 1.561 10 0 CDAERP CC(C)CC[NH2+]CC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001715695333 1179767004 /nfs/dbraw/zinc/76/70/04/1179767004.db2.gz AWAYDAZDXHMBFM-AWEZNQCLSA-N 2 0 281.444 1.613 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CCF ZINC001715824920 1179851631 /nfs/dbraw/zinc/85/16/31/1179851631.db2.gz NXOZXCUEHJIYBX-SCOBNMCVSA-N 2 0 271.380 1.092 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC/C=C/C[NH2+]C/C=C\Cl)C1 ZINC001715900043 1179903432 /nfs/dbraw/zinc/90/34/32/1179903432.db2.gz SXMGJLUSZSIAJK-ZUBDVOCPSA-N 2 0 285.819 1.343 10 0 CDAERP CC(C)[N@H+](C)CCN(C)C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001716005661 1179978846 /nfs/dbraw/zinc/97/88/46/1179978846.db2.gz ZMYIDLZSWMMZLL-HNNXBMFYSA-N 2 0 267.417 1.271 10 0 CDAERP CCN(CC[NH2+]C/C=C\Cl)C(=O)C12CC[NH+](CC1)C2 ZINC001716249159 1180119500 /nfs/dbraw/zinc/11/95/00/1180119500.db2.gz RIYRBEYVVQWSPE-UTCJRWHESA-N 2 0 285.819 1.273 10 0 CDAERP C[C@H](C[NH2+]CCCF)NC(=O)CC1CC[NH+](C)CC1 ZINC001716414445 1180194375 /nfs/dbraw/zinc/19/43/75/1180194375.db2.gz FGUVMIZTSIDTQX-GFCCVEGCSA-N 2 0 273.396 1.172 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]CC=C(C)C ZINC001716460371 1180223259 /nfs/dbraw/zinc/22/32/59/1180223259.db2.gz REYGXMCOXPEQDV-ZDUSSCGKSA-N 2 0 255.406 1.389 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001716464257 1180225077 /nfs/dbraw/zinc/22/50/77/1180225077.db2.gz NGISQIJMOOVAFA-GJZGRUSLSA-N 2 0 299.459 1.095 10 0 CDAERP CCOCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001716656467 1180342261 /nfs/dbraw/zinc/34/22/61/1180342261.db2.gz RMEAAOUQNIHNPH-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CCCF)C1 ZINC001716974597 1180487179 /nfs/dbraw/zinc/48/71/79/1180487179.db2.gz CMZJYSFNTCJAOY-ZIAGYGMSSA-N 2 0 287.423 1.513 10 0 CDAERP CC(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001717084813 1180526913 /nfs/dbraw/zinc/52/69/13/1180526913.db2.gz WPSYDLWKZXMKMJ-OWCLPIDISA-N 2 0 295.471 1.811 10 0 CDAERP CC(C)OCCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001717466549 1180686988 /nfs/dbraw/zinc/68/69/88/1180686988.db2.gz KTMYEGZZOYHEGI-CABCVRRESA-N 2 0 299.459 1.332 10 0 CDAERP CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001717641293 1180769672 /nfs/dbraw/zinc/76/96/72/1180769672.db2.gz DATOHJYOKKDOAJ-KKUMJFAQSA-N 2 0 281.444 1.755 10 0 CDAERP CC[NH+]1CCC([C@H](C)NC(=O)CCC[NH+](C)C)CC1 ZINC001717984092 1180958089 /nfs/dbraw/zinc/95/80/89/1180958089.db2.gz RCIHDGHXCBSCGN-ZDUSSCGKSA-N 2 0 269.433 1.565 10 0 CDAERP CC[N@H+]1CC=C(CNC(=O)CCC[NH+](C)C)CC1 ZINC001718026302 1180974997 /nfs/dbraw/zinc/97/49/97/1180974997.db2.gz IQCRQCUTSVFVEF-UHFFFAOYSA-N 2 0 253.390 1.096 10 0 CDAERP CCOCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1CC ZINC001723379145 1181545004 /nfs/dbraw/zinc/54/50/04/1181545004.db2.gz ROTQHMLEZSUELF-HUUCEWRRSA-N 2 0 299.459 1.191 10 0 CDAERP CCOCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001723919175 1181622922 /nfs/dbraw/zinc/62/29/22/1181622922.db2.gz KIVOZAIZFNRBOG-GJZGRUSLSA-N 2 0 299.459 1.190 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]C/C=C/Cl)C1 ZINC001725063307 1181841249 /nfs/dbraw/zinc/84/12/49/1181841249.db2.gz PWXZBLRKIUJRAZ-RDDFIYLDSA-N 2 0 285.819 1.318 10 0 CDAERP CCCC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[NH+]1CCCC1 ZINC001725476918 1182014597 /nfs/dbraw/zinc/01/45/97/1182014597.db2.gz QYEGZFQANMVCAZ-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H]1C[C@H]([NH2+]CCF)CN1C(=O)CCCC[NH+]1CCCC1 ZINC001725583802 1182060518 /nfs/dbraw/zinc/06/05/18/1182060518.db2.gz DYKFIRIPZHBOMX-GJZGRUSLSA-N 2 0 299.434 1.801 10 0 CDAERP CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001725647538 1182086201 /nfs/dbraw/zinc/08/62/01/1182086201.db2.gz XLOHPZGLUHJBRQ-KBPBESRZSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)C[C@H](C)OC)CC[N@@H+]1C ZINC001731241210 1182271463 /nfs/dbraw/zinc/27/14/63/1182271463.db2.gz HBYVELLMTOWZBQ-SOUVJXGZSA-N 2 0 299.459 1.190 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCCC[NH+](C)C/C=C\Cl ZINC001731286642 1182295642 /nfs/dbraw/zinc/29/56/42/1182295642.db2.gz NKSADOVTDXZJLJ-ALCCZGGFSA-N 2 0 275.824 1.517 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001731838546 1182618516 /nfs/dbraw/zinc/61/85/16/1182618516.db2.gz QBIHIYNVYMQGTI-CQSZACIVSA-N 2 0 267.417 1.319 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H](CC[NH2+]CCF)C2)C1 ZINC001732282882 1182894449 /nfs/dbraw/zinc/89/44/49/1182894449.db2.gz BWQQSOWSAUEMRH-ZIAGYGMSSA-N 2 0 285.407 1.126 10 0 CDAERP CC(C)=CC[N@@H+](C)CCN(C)C(=O)CCC[NH+](C)C ZINC001732590122 1183033421 /nfs/dbraw/zinc/03/34/21/1183033421.db2.gz LSMDPGQSURHDKJ-UHFFFAOYSA-N 2 0 269.433 1.685 10 0 CDAERP CCCC[NH2+]CC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001732745929 1183106199 /nfs/dbraw/zinc/10/61/99/1183106199.db2.gz KSMSMYHPCBHHHS-ZDUSSCGKSA-N 2 0 267.417 1.367 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CC[NH2+]C(C)C ZINC001732753653 1183108298 /nfs/dbraw/zinc/10/82/98/1183108298.db2.gz HDWCTQYUPGQTSV-KGLIPLIRSA-N 2 0 269.433 1.754 10 0 CDAERP CCN(CC[NH2+]CCF)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001732806754 1183132272 /nfs/dbraw/zinc/13/22/72/1183132272.db2.gz IUBUNBFJRDRNRD-KBPBESRZSA-N 2 0 287.423 1.514 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001732972670 1183212452 /nfs/dbraw/zinc/21/24/52/1183212452.db2.gz QEILQCCJAIXZLX-ZIAGYGMSSA-N 2 0 267.417 1.389 10 0 CDAERP CC[NH+]1CC([C@@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001734116665 1183665170 /nfs/dbraw/zinc/66/51/70/1183665170.db2.gz HQWASCWNUBONSJ-TZMCWYRMSA-N 2 0 267.417 1.317 10 0 CDAERP CC(C)[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001734321893 1183729649 /nfs/dbraw/zinc/72/96/49/1183729649.db2.gz BGTWBDNOARHZKQ-KBPBESRZSA-N 2 0 269.433 1.704 10 0 CDAERP CCCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001734483887 1183796807 /nfs/dbraw/zinc/79/68/07/1183796807.db2.gz XEVMDZHKHMMMNC-ZIAGYGMSSA-N 2 0 269.433 1.613 10 0 CDAERP CC(C)[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C(C)(C)C ZINC001734575851 1183831634 /nfs/dbraw/zinc/83/16/34/1183831634.db2.gz KWAIAQVSYDTQLG-ZDUSSCGKSA-N 2 0 269.433 1.611 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCOCC[NH2+]C(C)C ZINC001734617084 1183847132 /nfs/dbraw/zinc/84/71/32/1183847132.db2.gz JTAKBTNFNVGHMX-HNNXBMFYSA-N 2 0 299.459 1.334 10 0 CDAERP O=C(C=C1CC[NH2+]CC1)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000852927089 1164456736 /nfs/dbraw/zinc/45/67/36/1164456736.db2.gz JPCVFCPORMEGSV-INIZCTEOSA-N 2 0 291.439 1.534 10 0 CDAERP CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866704302 1164810458 /nfs/dbraw/zinc/81/04/58/1164810458.db2.gz NGCDKZKSCIFFIC-WOSRLPQWSA-N 2 0 283.460 1.987 10 0 CDAERP C[N@@H+]1CC[C@H]2CN(CCCCCCC[NH3+])CC[C@@H]21 ZINC000866703484 1164811719 /nfs/dbraw/zinc/81/17/19/1164811719.db2.gz JTFDFFKQYVLTPA-GJZGRUSLSA-N 2 0 253.434 1.922 10 0 CDAERP CN(C[C@@H]1CCC[N@@H+]1C)N1CCCCC[C@H]([NH3+])C1 ZINC000868392287 1164942248 /nfs/dbraw/zinc/94/22/48/1164942248.db2.gz WXDUJRDFHCRJTR-KBPBESRZSA-N 2 0 254.422 1.131 10 0 CDAERP C[C@H]1CC[C@@H](C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000870021575 1165132917 /nfs/dbraw/zinc/13/29/17/1165132917.db2.gz IGHXJLPKIUKQBJ-ZJIFWQFVSA-N 2 0 295.471 1.620 10 0 CDAERP C[NH+](C)[C@@H]1CCCN(C(=O)CCC23CC(C2)C[NH2+]3)CC1 ZINC000870926508 1165234226 /nfs/dbraw/zinc/23/42/26/1165234226.db2.gz FTRBKBLXAPSWBH-NPCAHTBFSA-N 2 0 279.428 1.461 10 0 CDAERP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)[C@H]2CC23CC[NH2+]CC3)C1 ZINC000870992044 1165249507 /nfs/dbraw/zinc/24/95/07/1165249507.db2.gz HVGDOBJAQGULHH-CXAGYDPISA-N 2 0 293.455 1.600 10 0 CDAERP CC[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)[C@@H]1CCCOC1 ZINC000872068854 1165377115 /nfs/dbraw/zinc/37/71/15/1165377115.db2.gz JCSOTJDZDJAXRU-HZPDHXFCSA-N 2 0 297.487 1.807 10 0 CDAERP Cc1ccc(NCCNC(=O)C[N@H+]2CC[C@@H](C)C2)nc1 ZINC001635554760 1166596350 /nfs/dbraw/zinc/59/63/50/1166596350.db2.gz WFYDBEQTDQLNAP-CYBMUJFWSA-N 2 0 276.384 1.260 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC2([NH+](C)C)CC2)C1 ZINC001639435564 1166937925 /nfs/dbraw/zinc/93/79/25/1166937925.db2.gz GTCRVCZKLHYURE-STQMWFEESA-N 2 0 267.417 1.317 10 0 CDAERP CN(CC[NH2+]CCCCCF)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001317599808 1167460519 /nfs/dbraw/zinc/46/05/19/1167460519.db2.gz BFALNUXVURLGOI-AWEZNQCLSA-N 2 0 287.423 1.659 10 0 CDAERP COCCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001571630220 1167603182 /nfs/dbraw/zinc/60/31/82/1167603182.db2.gz CFVHTTDUDAQAAO-ZIAGYGMSSA-N 2 0 299.459 1.238 10 0 CDAERP CCCC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001566768394 1168035562 /nfs/dbraw/zinc/03/55/62/1168035562.db2.gz OVZHIFSGIDIIRQ-AWEZNQCLSA-N 2 0 279.428 1.605 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CC[C@@H]2C[NH+](C)C[C@H]12 ZINC001646954346 1168285370 /nfs/dbraw/zinc/28/53/70/1168285370.db2.gz VNSSVWSFOFYFSE-APIJFGDWSA-N 2 0 294.443 1.110 10 0 CDAERP Cc1cnc([C@H](C)N(C)CCCNC(=O)CC[NH+](C)C)o1 ZINC001566488724 1168305111 /nfs/dbraw/zinc/30/51/11/1168305111.db2.gz FWROXYREXFMGKT-ZDUSSCGKSA-N 2 0 296.415 1.434 10 0 CDAERP CC(C)C[NH2+]C1(CO)CC[NH+](CC2CCC(O)CC2)CC1 ZINC001647277269 1168516117 /nfs/dbraw/zinc/51/61/17/1168516117.db2.gz SVBMGGCLBOZFBP-UHFFFAOYSA-N 2 0 298.471 1.610 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001483689416 912759561 /nfs/dbraw/zinc/75/95/61/912759561.db2.gz QPGOACQBONRTDI-KBPBESRZSA-N 2 0 269.433 1.565 10 0 CDAERP CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001272474556 913180507 /nfs/dbraw/zinc/18/05/07/913180507.db2.gz HWXKYPKKBJUFQP-HUUCEWRRSA-N 2 0 281.444 1.709 10 0 CDAERP COC[C@@H](C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)C(C)C ZINC000721974694 913321721 /nfs/dbraw/zinc/32/17/21/913321721.db2.gz RBDHSDQVQFGACH-CABCVRRESA-N 2 0 254.418 1.981 10 0 CDAERP CCOCC[N@H+](C)CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001266335474 894427279 /nfs/dbraw/zinc/42/72/79/894427279.db2.gz WYLWGCLPLZLQDB-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001266359626 894558705 /nfs/dbraw/zinc/55/87/05/894558705.db2.gz ZKSZRBJSVPWSPQ-BWPKMQGJSA-N 2 0 279.428 1.629 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)CC[C@@H](C)F ZINC001480870919 894580011 /nfs/dbraw/zinc/58/00/11/894580011.db2.gz DMLTYBNOAAWKNA-ZIAGYGMSSA-N 2 0 287.423 1.657 10 0 CDAERP CCC[N@H+](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001480880540 895163634 /nfs/dbraw/zinc/16/36/34/895163634.db2.gz YMPXRMCXONNNDM-UHFFFAOYSA-N 2 0 267.417 1.320 10 0 CDAERP CC(C)=CC[NH+]1CC[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001266551188 895329403 /nfs/dbraw/zinc/32/94/03/895329403.db2.gz NGUKVMVOBGVRQJ-HNNXBMFYSA-N 2 0 281.444 1.731 10 0 CDAERP O=C(CCCC[NH+]1CCCC1)N1CC[C@H]([NH2+]CCF)C1 ZINC001266569892 895399713 /nfs/dbraw/zinc/39/97/13/895399713.db2.gz PJVARTIVKMBUOY-AWEZNQCLSA-N 2 0 285.407 1.413 10 0 CDAERP C[NH+](C)CCOCC[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000234264287 895684328 /nfs/dbraw/zinc/68/43/28/895684328.db2.gz MMOASTYJXQBJMO-CQSZACIVSA-N 2 0 270.417 1.646 10 0 CDAERP CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001266844351 896171027 /nfs/dbraw/zinc/17/10/27/896171027.db2.gz JPKIHTXPVNXHCI-UONOGXRCSA-N 2 0 269.433 1.707 10 0 CDAERP CCCCc1noc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)n1 ZINC000723894843 896257906 /nfs/dbraw/zinc/25/79/06/896257906.db2.gz PJUBNBIVRCUZES-VXGBXAGGSA-N 2 0 266.389 1.829 10 0 CDAERP CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C(C)C)[C@@H]1CCCOC1 ZINC000723969344 896308540 /nfs/dbraw/zinc/30/85/40/896308540.db2.gz PDSYEAFLWABBRG-ILXRZTDVSA-N 2 0 272.433 1.482 10 0 CDAERP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CCC1 ZINC001266985077 896497602 /nfs/dbraw/zinc/49/76/02/896497602.db2.gz GNFUTEREQWDAND-OCCSQVGLSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001267046959 896629854 /nfs/dbraw/zinc/62/98/54/896629854.db2.gz IKGIDLBDPCAMGX-HZPDHXFCSA-N 2 0 295.471 1.955 10 0 CDAERP C([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724604516 897007711 /nfs/dbraw/zinc/00/77/11/897007711.db2.gz ANCAMZCGQLJFCZ-GWNLFYIMSA-N 2 0 280.412 1.301 10 0 CDAERP CN(CC[NH2+]CC1CC1)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001567560777 1168855195 /nfs/dbraw/zinc/85/51/95/1168855195.db2.gz PQHDLDDXTLKKNZ-INIZCTEOSA-N 2 0 299.434 1.657 10 0 CDAERP C(C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)O[C@@H]1CCOC1 ZINC000724947293 897566343 /nfs/dbraw/zinc/56/63/43/897566343.db2.gz CEODVOVHMJHRNT-JKSUJKDBSA-N 2 0 282.428 1.504 10 0 CDAERP CC(C)=CC[NH2+]CCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001267473434 898094441 /nfs/dbraw/zinc/09/44/41/898094441.db2.gz GILDBGZYJMWMNW-UHFFFAOYSA-N 2 0 281.444 1.877 10 0 CDAERP CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](CCC)C1 ZINC001267483171 898128638 /nfs/dbraw/zinc/12/86/38/898128638.db2.gz ZYEJFDZIBTXTSA-AWEZNQCLSA-N 2 0 269.433 1.661 10 0 CDAERP CN(CC[NH2+]CCc1ccccc1)C(=O)C[NH+]1CCCC1 ZINC001567606753 1168884286 /nfs/dbraw/zinc/88/42/86/1168884286.db2.gz ZYRLVCZFDKQELB-UHFFFAOYSA-N 2 0 289.423 1.373 10 0 CDAERP Cc1cccnc1C[NH2+]C[C@H](C)N(C)C(=O)CC[NH+](C)C ZINC001419705032 898461783 /nfs/dbraw/zinc/46/17/83/898461783.db2.gz FLZKGKSTEDTDFY-AWEZNQCLSA-N 2 0 292.427 1.278 10 0 CDAERP COCCC[NH2+][C@@H](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001567630727 1168897392 /nfs/dbraw/zinc/89/73/92/1168897392.db2.gz XYJMMPSKCKCIHO-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP CC/C=C/CC[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001267679612 899259852 /nfs/dbraw/zinc/25/98/52/899259852.db2.gz SYSVFAABYPGXKT-MBVDDHJVSA-N 2 0 279.428 1.485 10 0 CDAERP OC1(C[NH+]2CCCCC2)CC[NH+](CCCF)CC1 ZINC001176879310 914331884 /nfs/dbraw/zinc/33/18/84/914331884.db2.gz ICPWEDRWRMWLSH-UHFFFAOYSA-N 2 0 258.381 1.659 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC=C(C)C ZINC001267714080 899354545 /nfs/dbraw/zinc/35/45/45/899354545.db2.gz VUVXOSLEROUTSZ-GJZGRUSLSA-N 2 0 279.428 1.580 10 0 CDAERP CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)C(C)C ZINC001267716602 899358935 /nfs/dbraw/zinc/35/89/35/899358935.db2.gz MTXFIFXPXXJGNF-STQMWFEESA-N 2 0 253.390 1.022 10 0 CDAERP CC(C)C[NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001481230084 899520279 /nfs/dbraw/zinc/52/02/79/899520279.db2.gz FWFLYUOMLFPMAH-UHFFFAOYSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CC[NH2+]CC2CCC2)C1 ZINC001481270365 899776525 /nfs/dbraw/zinc/77/65/25/899776525.db2.gz XROTXWFHFADVMY-MRXNPFEDSA-N 2 0 295.471 1.957 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)NCC[C@@H]2CC[NH+](CCC3CC3)C2)C1 ZINC001481464355 900797990 /nfs/dbraw/zinc/79/79/90/900797990.db2.gz JXURLSJHMUTXDZ-CVEARBPZSA-N 2 0 293.455 1.566 10 0 CDAERP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000424028212 900817553 /nfs/dbraw/zinc/81/75/53/900817553.db2.gz NOMPEZPHTJPLJK-SQWLQELKSA-N 2 0 279.428 1.639 10 0 CDAERP CC(C)C[C@H](C[NH2+]CCF)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001268110697 901309480 /nfs/dbraw/zinc/30/94/80/901309480.db2.gz HLBOLTLZHHTHRD-ZIAGYGMSSA-N 2 0 287.423 1.418 10 0 CDAERP CCC[NH2+]CC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001268391227 901979947 /nfs/dbraw/zinc/97/99/47/901979947.db2.gz BQIMJWSKXQYYPP-LBPRGKRZSA-N 2 0 255.406 1.223 10 0 CDAERP CCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@H+](CC2CC2)C1 ZINC001481783203 902131166 /nfs/dbraw/zinc/13/11/66/902131166.db2.gz VZUIAJLNZOGCSN-HNNXBMFYSA-N 2 0 281.444 1.659 10 0 CDAERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC1CCC1 ZINC001481812764 902165468 /nfs/dbraw/zinc/16/54/68/902165468.db2.gz SZCILMWNVLCDCL-BPLDGKMQSA-N 2 0 281.444 1.611 10 0 CDAERP C[NH+](C)CCCC(=O)N1CCC[C@@H]1C[NH2+]CCC1CC1 ZINC001482061633 902573810 /nfs/dbraw/zinc/57/38/10/902573810.db2.gz UCGCGHGQIFHLNW-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]CC[C@@H]1CCCO1)[NH+](C)C ZINC001268648941 902892182 /nfs/dbraw/zinc/89/21/82/902892182.db2.gz CJUMXHHYSODIGS-ILXRZTDVSA-N 2 0 299.459 1.236 10 0 CDAERP CC(C)[NH2+]C[C@@H](C)NC(=O)C[C@@H](C)n1ccnc1 ZINC001268665033 902926499 /nfs/dbraw/zinc/92/64/99/902926499.db2.gz YHUPNTIKAUTNGZ-VXGBXAGGSA-N 2 0 252.362 1.337 10 0 CDAERP C[NH+](C)CCC(=O)NCC1([NH2+]CC2=CCCCC2)CC1 ZINC001483763650 914683746 /nfs/dbraw/zinc/68/37/46/914683746.db2.gz NMZUHDPDCBNURA-UHFFFAOYSA-N 2 0 279.428 1.677 10 0 CDAERP COCCC[NH2+]CC1(NC(=O)[C@H]2CCC[N@@H+]2C)CCCC1 ZINC001269566771 903934965 /nfs/dbraw/zinc/93/49/65/903934965.db2.gz FGYRSJCMQURSQX-CQSZACIVSA-N 2 0 297.443 1.136 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](CC[NH2+]CCF)C1 ZINC001269712269 904058385 /nfs/dbraw/zinc/05/83/85/904058385.db2.gz OAGQRNOFOFEOSC-ZIAGYGMSSA-N 2 0 285.407 1.268 10 0 CDAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H](CC[NH2+]CC3CC3)C2)C1 ZINC001269800157 904120555 /nfs/dbraw/zinc/12/05/55/904120555.db2.gz YYURNACWTSGJCN-JKSUJKDBSA-N 2 0 293.455 1.566 10 0 CDAERP CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001270077723 904330326 /nfs/dbraw/zinc/33/03/26/904330326.db2.gz VIFLCGXKUYLBTI-QWHCGFSZSA-N 2 0 255.406 1.317 10 0 CDAERP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]C/C=C\Cl ZINC001270129955 904385087 /nfs/dbraw/zinc/38/50/87/904385087.db2.gz XLSHPLRVKXGLTH-DJFZKKHWSA-N 2 0 273.808 1.271 10 0 CDAERP C[NH+]1CCC(CC(=O)N2CCC[C@H]2C[NH2+]CCF)CC1 ZINC001270143178 904395057 /nfs/dbraw/zinc/39/50/57/904395057.db2.gz HDRZLOLBXODXSQ-AWEZNQCLSA-N 2 0 285.407 1.268 10 0 CDAERP O[C@H](C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)C1CC1 ZINC000838898646 904433141 /nfs/dbraw/zinc/43/31/41/904433141.db2.gz OMBRXBCVZCKPLK-FVQBIDKESA-N 2 0 264.413 1.706 10 0 CDAERP CC(C)[NH+]1CCC(C)(NC(=O)CC[NH+](C)C)CC1 ZINC001270248766 904476302 /nfs/dbraw/zinc/47/63/02/904476302.db2.gz JUIJJVZKMNLFHB-UHFFFAOYSA-N 2 0 255.406 1.317 10 0 CDAERP C[C@H](C[NH2+]CCF)N(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001482291485 904666902 /nfs/dbraw/zinc/66/69/02/904666902.db2.gz GIOZIIVVQRQDCA-UKRRQHHQSA-N 2 0 299.434 1.799 10 0 CDAERP COCCCC[NH2+]C[C@@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001482326486 905051231 /nfs/dbraw/zinc/05/12/31/905051231.db2.gz SRRMIEMJXSIKAN-CQSZACIVSA-N 2 0 299.459 1.191 10 0 CDAERP CC/C=C/CC[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001271880652 906930851 /nfs/dbraw/zinc/93/08/51/906930851.db2.gz URILOFJXMXNEPE-AXHPFZFWSA-N 2 0 293.455 1.685 10 0 CDAERP Cc1cc(C[NH2+]CC[C@H](C)NC(=O)CC[NH+](C)C)sn1 ZINC001272993378 921345899 /nfs/dbraw/zinc/34/58/99/921345899.db2.gz HUACTZMKDGBOCV-NSHDSACASA-N 2 0 298.456 1.388 10 0 CDAERP CC[NH+](CC)CC[C@H](CO)[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000922223056 921381162 /nfs/dbraw/zinc/38/11/62/921381162.db2.gz UFFUPYOZGWSBMD-YLFCFFPRSA-N 2 0 298.471 1.874 10 0 CDAERP CC(C)C[NH2+]CC[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001482900700 908466415 /nfs/dbraw/zinc/46/64/15/908466415.db2.gz FAVCXMIMAQMDPQ-CYBMUJFWSA-N 2 0 257.422 1.467 10 0 CDAERP C[C@H](CC[NH2+]CC[C@H]1CCCO1)NC(=O)C[NH+]1CCCC1 ZINC001482899668 908466260 /nfs/dbraw/zinc/46/62/60/908466260.db2.gz UKSZYDTVDVXAEK-HUUCEWRRSA-N 2 0 297.443 1.136 10 0 CDAERP CCN(CC[NH2+]CC[C@H]1CCCO1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001482914106 908486641 /nfs/dbraw/zinc/48/66/41/908486641.db2.gz IXEOELOROPCVOZ-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@H](F)CC[NH2+]C/C=C/CNC(=O)C12CCC[NH+]1CCC2 ZINC001483029836 908734761 /nfs/dbraw/zinc/73/47/61/908734761.db2.gz BMNMSNYSWNDNAM-HSWBROFVSA-N 2 0 297.418 1.625 10 0 CDAERP C[N@H+](CCCNC1=[NH+]CCCCN1)C1CCCCC1 ZINC000697725397 909212406 /nfs/dbraw/zinc/21/24/06/909212406.db2.gz VYQKRVMDTOHTKQ-UHFFFAOYSA-N 2 0 266.433 1.970 10 0 CDAERP CCC(CC)C[NH2+]C/C=C/CNC(=O)C12CC[NH+](CC1)C2 ZINC001483083431 909301174 /nfs/dbraw/zinc/30/11/74/909301174.db2.gz JKRKIMORYCBEET-AATRIKPKSA-N 2 0 293.455 1.780 10 0 CDAERP CCO[C@@H]1C[N@H+](C[C@@H]2CCC3(CCC3)O2)C[C@H]1C[NH3+] ZINC000712484882 909564998 /nfs/dbraw/zinc/56/49/98/909564998.db2.gz KUEGCAMRBINYQV-HZSPNIEDSA-N 2 0 268.401 1.384 10 0 CDAERP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC1CCC([NH3+])CC1 ZINC000713042831 909602722 /nfs/dbraw/zinc/60/27/22/909602722.db2.gz KFODWCHNGYCJFI-HTAVTVPLSA-N 2 0 255.406 1.382 10 0 CDAERP CC1(C)CC[C@@H](C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)OC1 ZINC000713590983 909631898 /nfs/dbraw/zinc/63/18/98/909631898.db2.gz FTEYKIGDFDYEFB-ZFWWWQNUSA-N 2 0 252.402 1.877 10 0 CDAERP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000714248102 909716505 /nfs/dbraw/zinc/71/65/05/909716505.db2.gz WTECXLCFBRPJMC-CRWXNKLISA-N 2 0 288.457 1.462 10 0 CDAERP CC(C)N1CC[C@@H]([NH+]2CCC(C(C)(C)C[NH3+])CC2)C1=O ZINC000714402110 909731185 /nfs/dbraw/zinc/73/11/85/909731185.db2.gz ACTZOMZHWAOCFU-CQSZACIVSA-N 2 0 281.444 1.693 10 0 CDAERP CC[C@H](C)NC(=O)C[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714454144 909743050 /nfs/dbraw/zinc/74/30/50/909743050.db2.gz CVNPYJBINSAOTH-LBPRGKRZSA-N 2 0 269.433 1.598 10 0 CDAERP CC(C)[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001483135714 909780637 /nfs/dbraw/zinc/78/06/37/909780637.db2.gz OUGVMFVPGFQCKF-HIFRSBDPSA-N 2 0 281.444 1.896 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@@H]1CC[C@@H](C3CC3)O1)C2 ZINC000715414194 909929667 /nfs/dbraw/zinc/92/96/67/909929667.db2.gz LPWLCQBTLOFKKJ-KLLKFSIISA-N 2 0 250.386 1.756 10 0 CDAERP C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1cn(C)nn1 ZINC000715923869 910090762 /nfs/dbraw/zinc/09/07/62/910090762.db2.gz SZTFHMKPHLSYQY-DCBWTQNWSA-N 2 0 265.405 1.729 10 0 CDAERP C[C@H](NC(=O)C1CC[NH+](CC2CC2)CC1)[C@H](C)[NH2+]CCF ZINC001409418420 910383429 /nfs/dbraw/zinc/38/34/29/910383429.db2.gz IWBZLOWAXORRRC-STQMWFEESA-N 2 0 299.434 1.561 10 0 CDAERP COCC[N@H+](C[C@H]1CCCC[NH2+]C1)C1CCOCC1 ZINC000716412340 910632227 /nfs/dbraw/zinc/63/22/27/910632227.db2.gz HGGHJRBRZIZFET-AWEZNQCLSA-N 2 0 270.417 1.504 10 0 CDAERP CC(C)OCCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001483637103 912091216 /nfs/dbraw/zinc/09/12/16/912091216.db2.gz RMGWAQBBPBJWHJ-LSDHHAIUSA-N 2 0 297.443 1.086 10 0 CDAERP C[NH+](C)CCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CC1 ZINC001483825641 915108071 /nfs/dbraw/zinc/10/80/71/915108071.db2.gz JCOPSWPOXZWPKD-IYBDPMFKSA-N 2 0 293.455 1.804 10 0 CDAERP C1C[C@@H]2C[C@@H]([NH2+][C@@H]3CCC4(C3)OCCO4)CC[N@@H+]2C1 ZINC001178337086 915345822 /nfs/dbraw/zinc/34/58/22/915345822.db2.gz XTCMYKNVBCLWBA-BFHYXJOUSA-N 2 0 266.385 1.498 10 0 CDAERP CCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001484126066 915449898 /nfs/dbraw/zinc/44/98/98/915449898.db2.gz SRRYGBKRJFPTPA-HOCLYGCPSA-N 2 0 281.444 1.566 10 0 CDAERP CC(C)CC[NH+]1CC([C@@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001409915201 915555157 /nfs/dbraw/zinc/55/51/57/915555157.db2.gz LHLCEKLHBPFXMP-CQSZACIVSA-N 2 0 295.471 1.953 10 0 CDAERP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)CC[NH2+]CC1CC1 ZINC000720900184 935266602 /nfs/dbraw/zinc/26/66/02/935266602.db2.gz QGRNTZGIGXDIMI-ZIAGYGMSSA-N 2 0 265.401 1.071 10 0 CDAERP CC(C)[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001485085116 916480914 /nfs/dbraw/zinc/48/09/14/916480914.db2.gz YZMROZKNASCGLD-CVEARBPZSA-N 2 0 295.471 1.907 10 0 CDAERP C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)NCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001123475349 936168155 /nfs/dbraw/zinc/16/81/55/936168155.db2.gz GNSXDWIVFGMIGX-RRFJBIMHSA-N 2 0 294.443 1.112 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](C)CCCOC)CC[N@@H+]1C ZINC001485305189 916818373 /nfs/dbraw/zinc/81/83/73/916818373.db2.gz AMDPWERGUHWVNA-QLFBSQMISA-N 2 0 299.459 1.190 10 0 CDAERP CC[C@H](C(=O)NC1(C[NH2+]C[C@H](C)O)CCCCC1)[NH+](C)C ZINC001485449041 916977360 /nfs/dbraw/zinc/97/73/60/916977360.db2.gz DSXJILZGXZBLNO-UONOGXRCSA-N 2 0 299.459 1.116 10 0 CDAERP COCC[N@H+](C)CCC[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000921523000 918903069 /nfs/dbraw/zinc/90/30/69/918903069.db2.gz CWSCBXCYJHXJIZ-HRCADAONSA-N 2 0 284.444 1.750 10 0 CDAERP C[NH+](C)CC1CCC(NC(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000921586511 919147166 /nfs/dbraw/zinc/14/71/66/919147166.db2.gz BTLFYFXZNYBLFG-RUXDESIVSA-N 2 0 282.432 1.110 10 0 CDAERP [NH3+][C@@H](CC(F)F)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000388369716 936642774 /nfs/dbraw/zinc/64/27/74/936642774.db2.gz KNHGBVLEMPYYGU-ZDUSSCGKSA-N 2 0 275.387 1.777 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]C(C)C ZINC001485884127 920546943 /nfs/dbraw/zinc/54/69/43/920546943.db2.gz ZUCFHTLESBVHBS-ZIAGYGMSSA-N 2 0 269.433 1.706 10 0 CDAERP COCCC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001486424931 920999475 /nfs/dbraw/zinc/99/94/75/920999475.db2.gz YAVTWASJXRIKPG-KGLIPLIRSA-N 2 0 299.459 1.095 10 0 CDAERP CC[C@@H](C)C[NH2+]C1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001486475192 921050263 /nfs/dbraw/zinc/05/02/63/921050263.db2.gz CKXSLOQEZICFOO-IYXRBSQSSA-N 2 0 269.433 1.563 10 0 CDAERP CC(C)=CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CCC1 ZINC001273055358 921848323 /nfs/dbraw/zinc/84/83/23/921848323.db2.gz HSJBLGNYNMSSCX-CQSZACIVSA-N 2 0 279.428 1.675 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H](C)CC[NH2+]C/C=C/Cl)[NH+](C)C ZINC001273130578 922156015 /nfs/dbraw/zinc/15/60/15/922156015.db2.gz AHEWNYOSXMDASK-ZYARKTQMSA-N 2 0 289.851 1.810 10 0 CDAERP C[NH+]1CCC2(CCN(C(=O)CC[NH2+]C3CC3)CC2)CC1 ZINC000709272400 923212952 /nfs/dbraw/zinc/21/29/52/923212952.db2.gz DAINIEXSFHNZSH-UHFFFAOYSA-N 2 0 279.428 1.463 10 0 CDAERP C[C@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@@H](CO)Cc1ccccc1)[NH2+]2 ZINC000709414792 923215577 /nfs/dbraw/zinc/21/55/77/923215577.db2.gz BMIAEHYPVGBJOJ-WSOGKROESA-N 2 0 274.408 1.709 10 0 CDAERP COc1ccc(C[NH+]2CCC(O)(C[NH+](C)C)CC2)cc1 ZINC000710670754 923258075 /nfs/dbraw/zinc/25/80/75/923258075.db2.gz DBGDWQCBEUTAJW-UHFFFAOYSA-N 2 0 278.396 1.584 10 0 CDAERP C[N@H+](CCNC(=O)[C@H]1C[NH2+]CC1(C)C)Cc1ccccc1 ZINC000711224845 923405629 /nfs/dbraw/zinc/40/56/29/923405629.db2.gz NTMAKCPOLSHRQS-OAHLLOKOSA-N 2 0 289.423 1.480 10 0 CDAERP C[NH+](C)CCN(C(=O)[C@@H]1C[NH2+]CC1(C)C)C1CCCC1 ZINC000711235997 923416572 /nfs/dbraw/zinc/41/65/72/923416572.db2.gz HBEPYUBOZOJGLX-AWEZNQCLSA-N 2 0 281.444 1.565 10 0 CDAERP C[NH+](C)CC(C)(C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000837245979 936835101 /nfs/dbraw/zinc/83/51/01/936835101.db2.gz MLVXQSOMVRQXJJ-OAHLLOKOSA-N 2 0 287.423 1.655 10 0 CDAERP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000923282569 923702737 /nfs/dbraw/zinc/70/27/37/923702737.db2.gz VUPOOCZTXSZVFO-AWEZNQCLSA-N 2 0 293.386 1.155 10 0 CDAERP O=C1OCCN1[C@H]1CC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923388199 923803647 /nfs/dbraw/zinc/80/36/47/923803647.db2.gz AWKLSHSKZMQANF-DKUMPPAJSA-N 2 0 293.411 1.434 10 0 CDAERP C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2F)C[C@H]1C[NH3+] ZINC000923412874 923818384 /nfs/dbraw/zinc/81/83/84/923818384.db2.gz YWGIXTHXHRNEKD-UPJWGTAASA-N 2 0 282.359 1.092 10 0 CDAERP C[C@@]1(C2CC[NH+](CCC[NH2+]C3CC3)CC2)COC(=O)N1 ZINC000923432658 923829711 /nfs/dbraw/zinc/82/97/11/923829711.db2.gz OWTXYGIQAKDBAB-HNNXBMFYSA-N 2 0 281.400 1.339 10 0 CDAERP COC[C@H](C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1)C(C)C ZINC000923441041 923836062 /nfs/dbraw/zinc/83/60/62/923836062.db2.gz KCGKYFPDSANOEL-GJZGRUSLSA-N 2 0 284.444 1.735 10 0 CDAERP Cc1cc(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)on1 ZINC000923450726 923841348 /nfs/dbraw/zinc/84/13/48/923841348.db2.gz IIIGSIKJIHTCNQ-CYBMUJFWSA-N 2 0 265.357 1.313 10 0 CDAERP CCc1nocc1C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923451607 923843679 /nfs/dbraw/zinc/84/36/79/923843679.db2.gz MQZKNZUEWUANOM-ZDUSSCGKSA-N 2 0 279.384 1.567 10 0 CDAERP FC(F)Oc1cccc(CN2CC[NH2+]CC[NH2+]CC2)c1 ZINC000923461850 923847610 /nfs/dbraw/zinc/84/76/10/923847610.db2.gz XUWXIQAAIWEJNE-UHFFFAOYSA-N 2 0 285.338 1.283 10 0 CDAERP CC(C)Oc1ccccc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000923460544 923847887 /nfs/dbraw/zinc/84/78/87/923847887.db2.gz FJDSTQCJCJVZRF-UHFFFAOYSA-N 2 0 277.412 1.469 10 0 CDAERP c1c(CN2CC[NH2+]CC[NH2+]CC2)noc1-c1ccccc1 ZINC000923462900 923850453 /nfs/dbraw/zinc/85/04/53/923850453.db2.gz MMFCFUOMSQTJMY-UHFFFAOYSA-N 2 0 286.379 1.336 10 0 CDAERP C[C@@H]1C[N@H+](CCC(=O)NCC2CCCCC2)CC[C@@H]1C[NH3+] ZINC000923496976 923882805 /nfs/dbraw/zinc/88/28/05/923882805.db2.gz KTSMVGOQQKUWIK-GDBMZVCRSA-N 2 0 295.471 1.990 10 0 CDAERP C[C@@H]1C[N@H+](Cc2cn(-c3ccccc3)nn2)CC[C@H]1C[NH3+] ZINC000923500831 923887040 /nfs/dbraw/zinc/88/70/40/923887040.db2.gz YJWXOFWJEVWYBK-KGLIPLIRSA-N 2 0 285.395 1.684 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCn2cncc2C1)[NH2+]C/C=C\Cl ZINC001491506030 936926323 /nfs/dbraw/zinc/92/63/23/936926323.db2.gz AXCQBKHCCJMVHY-AAJWOFDGSA-N 2 0 296.802 1.292 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC001141937534 936956270 /nfs/dbraw/zinc/95/62/70/936956270.db2.gz CPTCXTJPCXQAAW-DGCLKSJQSA-N 2 0 255.406 1.031 10 0 CDAERP CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)C(C)C)C[C@@]2(C)C1 ZINC001410190999 925378593 /nfs/dbraw/zinc/37/85/93/925378593.db2.gz WLDZMFFVRLTCAL-IYBDPMFKSA-N 2 0 281.444 1.517 10 0 CDAERP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CCCC1 ZINC001410508447 925845753 /nfs/dbraw/zinc/84/57/53/925845753.db2.gz WURFRQPFQQWQLZ-UKRRQHHQSA-N 2 0 281.444 1.565 10 0 CDAERP CCCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001273894599 926295387 /nfs/dbraw/zinc/29/53/87/926295387.db2.gz SSJFYJLRJDWZSX-ZBFHGGJFSA-N 2 0 299.459 1.070 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001488858907 926724317 /nfs/dbraw/zinc/72/43/17/926724317.db2.gz PYBWFIYHVKBOHB-KBUPBQIOSA-N 2 0 299.434 1.561 10 0 CDAERP CC[C@@H](F)C[NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001491548835 937106622 /nfs/dbraw/zinc/10/66/22/937106622.db2.gz PTUHCAUQMHGDOD-QWHCGFSZSA-N 2 0 287.423 1.703 10 0 CDAERP CC[NH+](CC)CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001490361462 927156930 /nfs/dbraw/zinc/15/69/30/927156930.db2.gz NVMCTIWKTSVBHO-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCF)C1CC1 ZINC001490670797 927276237 /nfs/dbraw/zinc/27/62/37/927276237.db2.gz GQCIGOPRJZOGSR-KBPBESRZSA-N 2 0 285.407 1.315 10 0 CDAERP C[C@H](Cc1c[nH]cn1)C(=O)N(C)C1CC([NH2+]CCF)C1 ZINC001411246241 927304369 /nfs/dbraw/zinc/30/43/69/927304369.db2.gz HVMJSLRLNIRLCB-XSRFYTQQSA-N 2 0 282.363 1.137 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](C(C)C)CC1(C)C ZINC001440629290 927363977 /nfs/dbraw/zinc/36/39/77/927363977.db2.gz ZRPJSXOGDKUFTB-CQSZACIVSA-N 2 0 283.460 1.952 10 0 CDAERP CC[N@H+](CCNC(=O)NC[C@H]1CC[NH+]1C(C)(C)C)C(C)C ZINC000852064830 927700194 /nfs/dbraw/zinc/70/01/94/927700194.db2.gz ROXVDIJLGRLRKL-CQSZACIVSA-N 2 0 298.475 1.889 10 0 CDAERP CC[N@H+](CCNC(=O)NC[C@@H]1CC[NH+]1C(C)(C)C)C(C)C ZINC000852064824 927701143 /nfs/dbraw/zinc/70/11/43/927701143.db2.gz ROXVDIJLGRLRKL-AWEZNQCLSA-N 2 0 298.475 1.889 10 0 CDAERP [NH3+][C@@H](C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000825547320 927789962 /nfs/dbraw/zinc/78/99/62/927789962.db2.gz KAWGLGARPGSDBC-ARFHVFGLSA-N 2 0 287.407 1.677 10 0 CDAERP CN(C)c1cccc([C@H]2CCC[N@@H+]2C[C@@H]2CNCCO2)c1 ZINC000852746503 927856599 /nfs/dbraw/zinc/85/65/99/927856599.db2.gz LYWZDVODYNJIDB-DLBZAZTESA-N 2 0 289.423 1.878 10 0 CDAERP O=C(C[C@H]1[NH2+]Cc2ccccc21)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000852833331 927886592 /nfs/dbraw/zinc/88/65/92/927886592.db2.gz OEBMQBHFPUYSFH-YUELXQCFSA-N 2 0 271.364 1.041 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852861959 927897768 /nfs/dbraw/zinc/89/77/68/927897768.db2.gz OEZQITBMYULVNB-UHFFFAOYSA-N 2 0 279.428 1.534 10 0 CDAERP C[C@@H](CNC(=O)C=C1CC[NH2+]CC1)[N@@H+]1CCCC[C@@H]1C ZINC000852858956 927898394 /nfs/dbraw/zinc/89/83/94/927898394.db2.gz NFDAUJZVAOKCRG-KBPBESRZSA-N 2 0 279.428 1.675 10 0 CDAERP C[C@@H]1CCC[C@](CNC(=O)C=C2CC[NH2+]CC2)([NH+](C)C)C1 ZINC000852861722 927899465 /nfs/dbraw/zinc/89/94/65/927899465.db2.gz HUOPHIHTUMISRA-PBHICJAKSA-N 2 0 293.455 1.923 10 0 CDAERP C[NH+]1CCC(CCNC(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852862504 927899588 /nfs/dbraw/zinc/89/95/88/927899588.db2.gz GRBBPPJIEXTDNP-UHFFFAOYSA-N 2 0 265.401 1.144 10 0 CDAERP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852892047 927910165 /nfs/dbraw/zinc/91/01/65/927910165.db2.gz FVQMHRQDEXGRMJ-INIZCTEOSA-N 2 0 291.439 1.533 10 0 CDAERP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCO)C2)ccn1 ZINC000856599344 928611730 /nfs/dbraw/zinc/61/17/30/928611730.db2.gz HOLIAIDMBZQAHT-MRXNPFEDSA-N 2 0 293.411 1.367 10 0 CDAERP CC[NH+](CC)CCOCC[NH2+]Cc1cn(C)nc1Cl ZINC000856776222 928624560 /nfs/dbraw/zinc/62/45/60/928624560.db2.gz CJRPUZFPUDGPPX-UHFFFAOYSA-N 2 0 288.823 1.522 10 0 CDAERP C[C@@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)Cn1ccnc1 ZINC000858118381 928805622 /nfs/dbraw/zinc/80/56/22/928805622.db2.gz YJIFATCVFBETBF-KBPBESRZSA-N 2 0 264.417 1.982 10 0 CDAERP CCOC(=O)C1=CC[C@H]([NH2+][C@H](C)C2CC[NH+](C)CC2)C1 ZINC000858504583 928873751 /nfs/dbraw/zinc/87/37/51/928873751.db2.gz UPJSOOOHAZOIHH-DOMZBBRYSA-N 2 0 280.412 1.958 10 0 CDAERP CCOC(=O)C1=CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000858506165 928876719 /nfs/dbraw/zinc/87/67/19/928876719.db2.gz SAYOBLITWYEABI-KKUMJFAQSA-N 2 0 278.396 1.855 10 0 CDAERP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)C[C@@H]1CC=CCC1 ZINC000784389587 937300121 /nfs/dbraw/zinc/30/01/21/937300121.db2.gz CQFBQDRGUJKHOK-HUUCEWRRSA-N 2 0 252.402 1.731 10 0 CDAERP COC(=O)C1=CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000863542945 929567065 /nfs/dbraw/zinc/56/70/65/929567065.db2.gz UZFOTKVHIYNYPG-ZOBORPQBSA-N 2 0 264.369 1.226 10 0 CDAERP CN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1C(C)(C)C ZINC000880614196 929725527 /nfs/dbraw/zinc/72/55/27/929725527.db2.gz RXQWZBNGSSKCQL-QWHCGFSZSA-N 2 0 267.417 1.269 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CCNc1ccccc1 ZINC000817901451 930624792 /nfs/dbraw/zinc/62/47/92/930624792.db2.gz VZFPEPYZGDPUTC-CQSZACIVSA-N 2 0 251.374 1.442 10 0 CDAERP CC(C)[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+](C(C)C)C1 ZINC001136192139 930762247 /nfs/dbraw/zinc/76/22/47/930762247.db2.gz PWBQNNMVYGXMPB-HNNXBMFYSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)c2ccc(F)cn2)C1 ZINC000819151783 930762809 /nfs/dbraw/zinc/76/28/09/930762809.db2.gz FAHOBUSNCRSJRN-CJNGLKHVSA-N 2 0 295.402 1.822 10 0 CDAERP CCC[NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001274252332 931484972 /nfs/dbraw/zinc/48/49/72/931484972.db2.gz CCIAMHNYFJSGJL-WAYWQWQTSA-N 2 0 267.417 1.533 10 0 CDAERP [NH3+]Cc1cccc(C(=O)N[C@H]2CC[NH2+]C23CCCC3)c1 ZINC000843515093 931508425 /nfs/dbraw/zinc/50/84/25/931508425.db2.gz YWHRCUOTOBMQOY-AWEZNQCLSA-N 2 0 273.380 1.550 10 0 CDAERP CC[C@@H](C(=O)NC/C=C/C[NH2+]CCC(F)(F)F)[NH+](C)C ZINC001321340013 931605486 /nfs/dbraw/zinc/60/54/86/931605486.db2.gz WLGGSVPSXPVNFL-QRGHLMKCSA-N 2 0 295.349 1.541 10 0 CDAERP CCOCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1CC ZINC001275729029 931982637 /nfs/dbraw/zinc/98/26/37/931982637.db2.gz JHPFNTRPWNIAHZ-CABCVRRESA-N 2 0 299.459 1.334 10 0 CDAERP C[C@H](CNC(=O)NCCC1(C[NH3+])CC1)[NH+]1CCCCC1 ZINC000846136917 931985599 /nfs/dbraw/zinc/98/55/99/931985599.db2.gz LRIARDBQJJXBKA-CYBMUJFWSA-N 2 0 282.432 1.289 10 0 CDAERP CO[C@@H]1CC[C@@H]2OCC[N@H+](CCCCCC[NH3+])[C@H]2C1 ZINC000846223794 931997456 /nfs/dbraw/zinc/99/74/56/931997456.db2.gz ORGMIZIBMXNJNR-ILXRZTDVSA-N 2 0 270.417 1.774 10 0 CDAERP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CCCCCCO)C1 ZINC000846227274 931999020 /nfs/dbraw/zinc/99/90/20/931999020.db2.gz MAAZNVPZUGWPEZ-OWCLPIDISA-N 2 0 284.444 1.900 10 0 CDAERP COCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001275817930 932062787 /nfs/dbraw/zinc/06/27/87/932062787.db2.gz TZIWCLIACVOSPX-HUUCEWRRSA-N 2 0 299.459 1.238 10 0 CDAERP [NH3+]Cc1cccc(C(=O)N2CC3CCC2(C[NH3+])CC3)c1 ZINC000846680656 932110529 /nfs/dbraw/zinc/11/05/29/932110529.db2.gz VJCFJGIKUVNDTQ-UHFFFAOYSA-N 2 0 273.380 1.489 10 0 CDAERP CC(C)[NH2+]C1(CO)CC[NH+](CC2(O)CCCCC2)CC1 ZINC000846945725 932168784 /nfs/dbraw/zinc/16/87/84/932168784.db2.gz PTEQVUIIOCFVEH-UHFFFAOYSA-N 2 0 284.444 1.507 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001412481759 932448985 /nfs/dbraw/zinc/44/89/85/932448985.db2.gz OUSBCQPXDNHVTP-PMPSAXMXSA-N 2 0 295.471 1.953 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001412529225 932469225 /nfs/dbraw/zinc/46/92/25/932469225.db2.gz QPBNZUPUCFRQAW-HUUCEWRRSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)C[NH2+]CCCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001276053509 932477893 /nfs/dbraw/zinc/47/78/93/932477893.db2.gz ZJXQSPDDSFRHJL-HNNXBMFYSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC001412548119 932491894 /nfs/dbraw/zinc/49/18/94/932491894.db2.gz VNBBEIIOEMXFLQ-HZPDHXFCSA-N 2 0 293.455 1.707 10 0 CDAERP CC[C@@H](C[C@](C)(O)CC)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000924966921 932837538 /nfs/dbraw/zinc/83/75/38/932837538.db2.gz RMSSZQIXRQWSSO-DLBZAZTESA-N 2 0 299.503 1.933 10 0 CDAERP C[NH+]1CCC(C[NH2+]C/C=C\CNC(=O)OC(C)(C)C)CC1 ZINC000390772071 932849983 /nfs/dbraw/zinc/84/99/83/932849983.db2.gz LWYRHJDADCQXQH-WAYWQWQTSA-N 2 0 297.443 1.999 10 0 CDAERP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccnn1C1CCC1 ZINC000925118211 932854070 /nfs/dbraw/zinc/85/40/70/932854070.db2.gz RTDUVFPDGKYREO-CYBMUJFWSA-N 2 0 292.427 1.715 10 0 CDAERP CC[NH+]1CCC(CC[NH2+][C@H]2CCC2(OC)OC)CC1 ZINC000925151383 932856617 /nfs/dbraw/zinc/85/66/17/932856617.db2.gz LPTPCYDALOZZGT-AWEZNQCLSA-N 2 0 270.417 1.850 10 0 CDAERP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CC[NH+](C)[C@H]1C ZINC000925348500 932877621 /nfs/dbraw/zinc/87/76/21/932877621.db2.gz PUZXBXFEQLUBCI-RRFJBIMHSA-N 2 0 296.459 1.451 10 0 CDAERP CC1(C)[C@@H]([NH2+]CCN2CCOCC2(C)C)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925476172 932890697 /nfs/dbraw/zinc/89/06/97/932890697.db2.gz GKPFYZYGNRSTHC-ILXRZTDVSA-N 2 0 295.471 1.463 10 0 CDAERP CCC[C@H](O)C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925483660 932891751 /nfs/dbraw/zinc/89/17/51/932891751.db2.gz WXHLDARVYMOMHC-RRFJBIMHSA-N 2 0 254.418 1.905 10 0 CDAERP CC[N@@H+]1CCC[C@H]1CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925510139 932895785 /nfs/dbraw/zinc/89/57/85/932895785.db2.gz SNMFCCMDPWNMMT-XGUBFFRZSA-N 2 0 265.445 1.837 10 0 CDAERP CNC(=O)c1cccc(CC[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925511809 932896784 /nfs/dbraw/zinc/89/67/84/932896784.db2.gz UXAFQWFHRXWXQV-CABCVRRESA-N 2 0 287.407 1.448 10 0 CDAERP CN(CC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)c1ccccc1 ZINC000925538225 932901814 /nfs/dbraw/zinc/90/18/14/932901814.db2.gz PUVXQKXRSAIWSE-HUUCEWRRSA-N 2 0 259.397 1.982 10 0 CDAERP CSC1(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)CCOCC1 ZINC000925573334 932908301 /nfs/dbraw/zinc/90/83/01/932908301.db2.gz NARRDIOOWIYWFA-VXGBXAGGSA-N 2 0 270.442 1.758 10 0 CDAERP CC[C@@H](C)[N@H+](C)CCN[C@H]1CC[NH2+]C12CCCC2 ZINC000925577233 932909115 /nfs/dbraw/zinc/90/91/15/932909115.db2.gz MVIMVNLEFFESTR-KGLIPLIRSA-N 2 0 253.434 1.981 10 0 CDAERP CC[C@H](CN[C@H]1C[C@@H]([NH3+])C12CCC2)[NH+]1CCCC1 ZINC000925606074 932913297 /nfs/dbraw/zinc/91/32/97/932913297.db2.gz LKDSPAAXEIFZKG-MCIONIFRSA-N 2 0 251.418 1.720 10 0 CDAERP CC1(C)[C@H]([NH2+]CCC2(C[NH3+])CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925701472 932928669 /nfs/dbraw/zinc/92/86/69/932928669.db2.gz AEDUAQWJKWVDKF-FRRDWIJNSA-N 3 0 251.418 1.482 10 0 CDAERP CC(C)(C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)C(=O)N1CCCC1 ZINC000925716304 932931174 /nfs/dbraw/zinc/93/11/74/932931174.db2.gz CUDMXMCUCIPQCU-CHWSQXEVSA-N 2 0 279.428 1.495 10 0 CDAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)C1 ZINC000925768168 932937341 /nfs/dbraw/zinc/93/73/41/932937341.db2.gz IQPGCJJEHQJISC-YFKTTZPYSA-N 2 0 274.430 1.058 10 0 CDAERP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)[C@H]1C ZINC000925784328 932939151 /nfs/dbraw/zinc/93/91/51/932939151.db2.gz MFWZZFPZKFDNHX-QNWJLWSRSA-N 2 0 254.374 1.162 10 0 CDAERP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925791450 932939212 /nfs/dbraw/zinc/93/92/12/932939212.db2.gz PZMVKTDQRJMNNY-MCIONIFRSA-N 2 0 275.396 1.849 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCCc2c1cnn2C ZINC000925801708 932940226 /nfs/dbraw/zinc/94/02/26/932940226.db2.gz WSUZEWGTGZOIEV-BZPMIXESSA-N 2 0 262.401 1.633 10 0 CDAERP C[NH+](C)CC[C@H](N[C@H]1CC[NH2+]C12CCC2)c1cccnc1 ZINC000925825960 932943743 /nfs/dbraw/zinc/94/37/43/932943743.db2.gz DCNDNHKIVVUONM-HOTGVXAUSA-N 2 0 288.439 1.949 10 0 CDAERP C[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1ccn(C)n1 ZINC000925844657 932945337 /nfs/dbraw/zinc/94/53/37/932945337.db2.gz ZHVIADBWEKFHLX-CQSZACIVSA-N 2 0 279.432 1.146 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]CCCCCN2CC[NH2+]CC2)CC[N@@H+]1C ZINC000925843615 932945523 /nfs/dbraw/zinc/94/55/23/932945523.db2.gz FYVXNAUKWVOVGE-HOTGVXAUSA-N 3 0 282.476 1.134 10 0 CDAERP CCCC[C@@H](C)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925855867 932946703 /nfs/dbraw/zinc/94/67/03/932946703.db2.gz OSBYGEYTMJHMPU-CHWSQXEVSA-N 2 0 268.401 1.840 10 0 CDAERP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)o1 ZINC000925855692 932947353 /nfs/dbraw/zinc/94/73/53/932947353.db2.gz OIAGSSFBDMYCTK-OLZOCXBDSA-N 2 0 292.379 1.924 10 0 CDAERP Cn1nnc2c1C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)CC2 ZINC000925892436 932950264 /nfs/dbraw/zinc/95/02/64/932950264.db2.gz AYGWXDPNUPGYEX-HUUCEWRRSA-N 2 0 299.422 1.742 10 0 CDAERP CCO[C@@H](CNC(=O)Nc1ccc(C[NH3+])cc1)C[NH+](C)C ZINC000926157627 932969801 /nfs/dbraw/zinc/96/98/01/932969801.db2.gz CQEBJRLNDFGOFF-AWEZNQCLSA-N 2 0 294.399 1.234 10 0 CDAERP c1cn2c(n1)C[C@H]([NH2+][C@H](C1CCC1)[C@@H]1CCOC1)CC2 ZINC000926229691 932976921 /nfs/dbraw/zinc/97/69/21/932976921.db2.gz PRRQDUHNQUXHOM-IIAWOOMASA-N 2 0 275.396 1.993 10 0 CDAERP CC(C)[C@H]1COCC[C@@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000926357912 932983428 /nfs/dbraw/zinc/98/34/28/932983428.db2.gz SBBPYXBVOWEVHF-CVEARBPZSA-N 2 0 297.487 1.663 10 0 CDAERP C[C@H]([NH2+]C[C@@H]1COCCN1C)c1cccc(C[NH+](C)C)c1 ZINC000926759457 933021322 /nfs/dbraw/zinc/02/13/22/933021322.db2.gz FOAMEVOGJYYFDZ-WMLDXEAASA-N 2 0 291.439 1.729 10 0 CDAERP C([C@@H]1C[C@H]2COC[C@H]2O1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000929277886 933220906 /nfs/dbraw/zinc/22/09/06/933220906.db2.gz XAPRGGPCTGOITE-YESZJQIVSA-N 2 0 294.439 1.598 10 0 CDAERP C[C@H](CNC(=O)C[N@@H+]1CCC[C@H]1C)[NH+]1CCC[C@@H]1C ZINC000929754216 933265432 /nfs/dbraw/zinc/26/54/32/933265432.db2.gz LABWVBFRRTZDFO-HZSPNIEDSA-N 2 0 267.417 1.460 10 0 CDAERP C[C@H](C1CC1)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000929954649 933291654 /nfs/dbraw/zinc/29/16/54/933291654.db2.gz VETBJKPYZSMFJT-GFCCVEGCSA-N 2 0 267.417 1.175 10 0 CDAERP C(C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)O[C@H]1CCOC1 ZINC000930061243 933304446 /nfs/dbraw/zinc/30/44/46/933304446.db2.gz PNEVSWAVTIZRBS-PVAVHDDUSA-N 2 0 294.439 1.741 10 0 CDAERP C[N@@H+]1CCC[C@@]2(CCN(Cc3ccc(N)nc3)C2)C1 ZINC000930577603 933406410 /nfs/dbraw/zinc/40/64/10/933406410.db2.gz UNBHCHXFWICDSG-OAHLLOKOSA-N 2 0 260.385 1.582 10 0 CDAERP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H]1C[C@@H]3COC[C@H]3O1)C2 ZINC000930602741 933409873 /nfs/dbraw/zinc/40/98/73/933409873.db2.gz ZEIPVTRRSCPEMZ-QKPAOTATSA-N 2 0 280.412 1.208 10 0 CDAERP C[NH+](C)C1CCN(C(=O)C2([NH3+])CCCCC2)CC1 ZINC000036192211 933644621 /nfs/dbraw/zinc/64/46/21/933644621.db2.gz NPJIQOYDFKFGIO-UHFFFAOYSA-N 2 0 253.390 1.201 10 0 CDAERP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3C[C@]34CCOC4)C[C@]2(C)C1 ZINC000933734838 933851909 /nfs/dbraw/zinc/85/19/09/933851909.db2.gz RWQTYOCITRDCJW-XGUBFFRZSA-N 2 0 250.386 1.297 10 0 CDAERP C[N@@H+]1C[C@@H]2C[NH+](CCCCCn3cccn3)C[C@]2(C)C1 ZINC000933740332 933852104 /nfs/dbraw/zinc/85/21/04/933852104.db2.gz KAKNHRXYNCBLOQ-CVEARBPZSA-N 2 0 276.428 1.937 10 0 CDAERP COCC(C)(C)CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000718791894 934833545 /nfs/dbraw/zinc/83/35/45/934833545.db2.gz AGFXVJWNGNCPGC-CYBMUJFWSA-N 2 0 258.406 1.095 10 0 CDAERP CC[C@@H](F)C[NH2+]CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001276332151 935015440 /nfs/dbraw/zinc/01/54/40/935015440.db2.gz AECZZHRYGVAKPA-CYBMUJFWSA-N 2 0 285.407 1.268 10 0 CDAERP CCO[C@@H]1C[N@H+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)C[C@H]1C[NH3+] ZINC000720797587 935248041 /nfs/dbraw/zinc/24/80/41/935248041.db2.gz WMMMTBYQKPNUIL-NIFZNCRKSA-N 2 0 268.401 1.240 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CC1(C)CC(F)(F)C1 ZINC000720936264 935269212 /nfs/dbraw/zinc/26/92/12/935269212.db2.gz RRFOETYJYAVZBT-JTQLQIEISA-N 2 0 250.333 1.765 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001413396456 936011315 /nfs/dbraw/zinc/01/13/15/936011315.db2.gz VVYDHBFMUSTWMO-MRXNPFEDSA-N 2 0 289.423 1.370 10 0 CDAERP CC(C)C[NH2+]CC[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001568640187 1169410799 /nfs/dbraw/zinc/41/07/99/1169410799.db2.gz ITRKBSGCWPQHDO-CYBMUJFWSA-N 2 0 269.433 1.611 10 0 CDAERP O[C@H](C[NH2+]C[C@@H]1CC2CCC1CC2)C[NH+]1CCCC1 ZINC000400137894 940842930 /nfs/dbraw/zinc/84/29/30/940842930.db2.gz QFTFBIIWSYLXOO-SSHXOBKSSA-N 2 0 266.429 1.859 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000403578065 940926800 /nfs/dbraw/zinc/92/68/00/940926800.db2.gz RPDPLUJRRJKTPE-ODWCKFRGSA-N 2 0 258.431 1.757 10 0 CDAERP C[N@H+](CCN[C@@H]1C[C@@H]([NH3+])C12CCC2)C1CCCC1 ZINC000405364723 940984713 /nfs/dbraw/zinc/98/47/13/940984713.db2.gz VUVRKDVEFTZALD-ZIAGYGMSSA-N 2 0 251.418 1.720 10 0 CDAERP CC1CC[NH+](CCN[C@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000405360852 940985222 /nfs/dbraw/zinc/98/52/22/940985222.db2.gz UBITZRSVZDTPHQ-KGLIPLIRSA-N 2 0 251.418 1.578 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH2+]CCCF ZINC001280458014 942445615 /nfs/dbraw/zinc/44/56/15/942445615.db2.gz KBZXKXWBPDCKEX-CQSZACIVSA-N 2 0 287.423 1.659 10 0 CDAERP CC(C)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001283630993 942952698 /nfs/dbraw/zinc/95/26/98/942952698.db2.gz HXMPJGVHSDAZIJ-ZIAGYGMSSA-N 2 0 269.433 1.563 10 0 CDAERP CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001283676546 942963978 /nfs/dbraw/zinc/96/39/78/942963978.db2.gz BBDOQUIFQFZVAV-UONOGXRCSA-N 2 0 269.433 1.706 10 0 CDAERP CC(C)(C(=O)N[C@H]1CC[C@H](C[NH2+]CCF)C1)[NH+]1CCCC1 ZINC001284196521 943105577 /nfs/dbraw/zinc/10/55/77/943105577.db2.gz MLVFIOJDFBTYES-KBPBESRZSA-N 2 0 299.434 1.705 10 0 CDAERP CC(C)[NH2+]C[C@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001284209928 943109925 /nfs/dbraw/zinc/10/99/25/943109925.db2.gz KQKUYNBYSMOOJQ-QWHCGFSZSA-N 2 0 255.406 1.221 10 0 CDAERP CCCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001277826187 943719804 /nfs/dbraw/zinc/71/98/04/943719804.db2.gz KZZDYCDKQKOXDN-MGPQQGTHSA-N 2 0 269.433 1.563 10 0 CDAERP C[C@@H](CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCCF ZINC001277913593 943991641 /nfs/dbraw/zinc/99/16/41/943991641.db2.gz HLFVPITWQBLVGJ-STQMWFEESA-N 2 0 273.396 1.267 10 0 CDAERP C[NH+](C)CCC(=O)NCCC[N@H+](C)Cc1ccccc1F ZINC001265030781 944207976 /nfs/dbraw/zinc/20/79/76/944207976.db2.gz IXPSADJQPVCJMY-UHFFFAOYSA-N 2 0 295.402 1.716 10 0 CDAERP CC(C)=CC[NH+]1CCC2(C[C@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001265332284 944349554 /nfs/dbraw/zinc/34/95/54/944349554.db2.gz RMJDCSXUAFKMKG-OAHLLOKOSA-N 2 0 293.455 1.875 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]([NH2+]CCCCCF)C2)CCC1 ZINC001265481296 944404381 /nfs/dbraw/zinc/40/43/81/944404381.db2.gz CGVPDKWGADNUHA-HDJSIYSDSA-N 2 0 299.434 1.847 10 0 CDAERP C[C@H](C(=O)NCCC[N@H+](C)CCCO)[NH+]1CCCCCC1 ZINC001265933369 944581713 /nfs/dbraw/zinc/58/17/13/944581713.db2.gz KUGKWABXKPGSAB-OAHLLOKOSA-N 2 0 299.459 1.071 10 0 CDAERP C[N@H+](CCCNC(=O)C[NH+]1CCCC1)CCC(C)(C)C ZINC001265973827 944608178 /nfs/dbraw/zinc/60/81/78/944608178.db2.gz AXJUOUNZVJWVOX-UHFFFAOYSA-N 2 0 283.460 1.957 10 0 CDAERP CCCC[NH2+]C[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266029136 944641998 /nfs/dbraw/zinc/64/19/98/944641998.db2.gz KYOQKZKHSJWCCR-HUUCEWRRSA-N 2 0 283.460 1.811 10 0 CDAERP CC[N@H+](CCCNC(=O)[C@@]12CC[NH+](C1)CCC2)C(C)C ZINC001266106447 944684556 /nfs/dbraw/zinc/68/45/56/944684556.db2.gz SBRMSKNNZHPPPG-INIZCTEOSA-N 2 0 281.444 1.709 10 0 CDAERP C[C@H](CC[NH+](C)C)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC001362314666 971148323 /nfs/dbraw/zinc/14/83/23/971148323.db2.gz ROBPQGXKXOBBDC-OLZOCXBDSA-N 2 0 271.449 1.667 10 0 CDAERP CCC[NH2+]C/C=C/CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001568919429 1169547257 /nfs/dbraw/zinc/54/72/57/1169547257.db2.gz ARRXRHOBGKTKGW-BQYQJAHWSA-N 2 0 269.433 1.636 10 0 CDAERP C[C@H](F)CC[NH2+]C/C=C\CNC(=O)C1CC[NH+](C)CC1 ZINC001568912951 1169546614 /nfs/dbraw/zinc/54/66/14/1169546614.db2.gz SWRRLSMFJLQXMP-SCOBNMCVSA-N 2 0 285.407 1.338 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001479315999 971297683 /nfs/dbraw/zinc/29/76/83/971297683.db2.gz WONBOWCWQXXQFR-SOUVJXGZSA-N 2 0 295.471 1.859 10 0 CDAERP CC[N@H+](C)[C@@H]1CCN(C(=O)N[C@@H]2CC[C@H]3C[NH+](C)C[C@H]32)C1 ZINC001479591719 971342913 /nfs/dbraw/zinc/34/29/13/971342913.db2.gz YMHVFOFGPOYBNW-GBJTYRQASA-N 2 0 294.443 1.062 10 0 CDAERP C[C@H]1C[C@@H]([NH2+]CCCF)CN1C(=O)C[NH+]1CCCC1 ZINC001278423201 947883676 /nfs/dbraw/zinc/88/36/76/947883676.db2.gz IHTAGBSYEWJHNR-QWHCGFSZSA-N 2 0 271.380 1.021 10 0 CDAERP C[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C[NH2+]CCCF)C2)CC1 ZINC001278596151 950343764 /nfs/dbraw/zinc/34/37/64/950343764.db2.gz ZVOLQYIGXIXXOG-HIFRSBDPSA-N 2 0 299.434 1.562 10 0 CDAERP CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCN2C2CCCC2)C(C)(C)C1 ZINC001362972481 971774715 /nfs/dbraw/zinc/77/47/15/971774715.db2.gz OFZULPRYYLIOBD-HUUCEWRRSA-N 2 0 293.455 1.850 10 0 CDAERP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1cncs1 ZINC001480576742 971791853 /nfs/dbraw/zinc/79/18/53/971791853.db2.gz LPIZOYXGLYVPDN-NSHDSACASA-N 2 0 284.429 1.079 10 0 CDAERP CC(C)[C@H]1CN(C(=O)[C@H]2CC[C@H]3C[C@@H](C)C[N@@H+]3C2)CC[NH2+]1 ZINC001362998559 971803039 /nfs/dbraw/zinc/80/30/39/971803039.db2.gz PMFXXRUOEQFLDC-FXUDXRNXSA-N 2 0 293.455 1.563 10 0 CDAERP C[N@H+](CC(=O)Nc1ccc2c[nH+]cn2c1)[C@@H]1CCC[C@H]1O ZINC001363002150 971805520 /nfs/dbraw/zinc/80/55/20/971805520.db2.gz KJQLKZMQEOZUKH-ZIAGYGMSSA-N 2 0 288.351 1.118 10 0 CDAERP CCCC[NH2+]C[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001480667123 971831687 /nfs/dbraw/zinc/83/16/87/971831687.db2.gz BDRBLRAFYKNXHN-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP CC[N@@H+]1CC[C@H]1C(=O)N1CCC(c2nc(C)c(C)[nH]2)CC1 ZINC001363595792 953515174 /nfs/dbraw/zinc/51/51/74/953515174.db2.gz PRUXKIYHLPUVQA-AWEZNQCLSA-N 2 0 290.411 1.827 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[NH+](CC2CCC2)C1 ZINC001493266249 972000914 /nfs/dbraw/zinc/00/09/14/972000914.db2.gz DKVQWKQLINEIEM-OAHLLOKOSA-N 2 0 281.444 1.565 10 0 CDAERP C[NH2+]Cc1ccc(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001326291862 954304353 /nfs/dbraw/zinc/30/43/53/954304353.db2.gz DZDQFEWAIMLMPO-KBPBESRZSA-N 2 0 261.369 1.862 10 0 CDAERP CC(C)C[NH2+]CC[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001326411464 954368057 /nfs/dbraw/zinc/36/80/57/954368057.db2.gz LMNSCTNJWWZBPC-HZPDHXFCSA-N 2 0 295.471 1.812 10 0 CDAERP CC[C@H](F)C[NH2+]CC[C@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001326446530 954384341 /nfs/dbraw/zinc/38/43/41/954384341.db2.gz OSSLVBKTWSRVSS-KBPBESRZSA-N 2 0 296.390 1.459 10 0 CDAERP CO[C@@H](C)C[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001364550127 954782776 /nfs/dbraw/zinc/78/27/76/954782776.db2.gz YCBZPDMFNWSANA-AWEZNQCLSA-N 2 0 270.417 1.334 10 0 CDAERP CCC[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001328403144 955287061 /nfs/dbraw/zinc/28/70/61/955287061.db2.gz QNCACAHEFXJTAT-IHRRRGAJSA-N 2 0 269.433 1.611 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CC2CC2)C1 ZINC001421564662 955409076 /nfs/dbraw/zinc/40/90/76/955409076.db2.gz WZYVZCBIBXWYHD-HIFRSBDPSA-N 2 0 281.444 1.422 10 0 CDAERP CCCCC[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001491991887 955568670 /nfs/dbraw/zinc/56/86/70/955568670.db2.gz DCOUTSREEUIPEB-ZIAGYGMSSA-N 2 0 269.433 1.755 10 0 CDAERP COC[C@@H](C)[NH2+][C@H](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001493836065 972123784 /nfs/dbraw/zinc/12/37/84/972123784.db2.gz IPBYZTGMKHOQPA-ZIAGYGMSSA-N 2 0 299.459 1.190 10 0 CDAERP CCC[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001492258062 955760933 /nfs/dbraw/zinc/76/09/33/955760933.db2.gz WVVWIDRKWNUGSF-QWHCGFSZSA-N 2 0 255.406 1.175 10 0 CDAERP C[N@H+](C[C@H]1CCC[NH+](C)C1)C[C@@H]1CCC[C@]2(CCOC2)O1 ZINC001365269274 955798338 /nfs/dbraw/zinc/79/83/38/955798338.db2.gz DRNVFAJLUWLUBW-YESZJQIVSA-N 2 0 296.455 1.988 10 0 CDAERP C[N@@H+](C[C@H]1CCC[C@]2(CCOC2)O1)C[C@H]1CCC[NH+](C)C1 ZINC001365269260 955801694 /nfs/dbraw/zinc/80/16/94/955801694.db2.gz DRNVFAJLUWLUBW-GVDBMIGSSA-N 2 0 296.455 1.988 10 0 CDAERP C[N@H+](CCC1CC1)C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001422240337 955880887 /nfs/dbraw/zinc/88/08/87/955880887.db2.gz DNPWWVNNQDZSJA-CVEARBPZSA-N 2 0 293.455 1.661 10 0 CDAERP Cc1noc(C)c1C[NH2+][C@H](C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001422387424 955976039 /nfs/dbraw/zinc/97/60/39/955976039.db2.gz NSOYHYXPPQYDMK-MNOVXSKESA-N 2 0 296.415 1.226 10 0 CDAERP CC(C)[NH2+][C@H](C)[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001422390905 955979726 /nfs/dbraw/zinc/97/97/26/955979726.db2.gz QHWXFIDRVYKUHO-ZIAGYGMSSA-N 2 0 283.460 1.998 10 0 CDAERP Cc1ncoc1C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001422512339 956107901 /nfs/dbraw/zinc/10/79/01/956107901.db2.gz CSDHKEACUCUBCF-YPMHNXCESA-N 2 0 294.399 1.062 10 0 CDAERP CC(C)[NH2+][C@@H](CCN(C)C(=O)C[NH+]1CCCC1)C(C)C ZINC001422671072 956244258 /nfs/dbraw/zinc/24/42/58/956244258.db2.gz SVSHDSQTZAFJDA-HNNXBMFYSA-N 2 0 283.460 1.953 10 0 CDAERP CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CCC(C)C)C1)[NH+](C)C ZINC001365838284 956400163 /nfs/dbraw/zinc/40/01/63/956400163.db2.gz AXEXXLKWDSSTPJ-KKUMJFAQSA-N 2 0 283.460 1.857 10 0 CDAERP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH2+]CCC1CC1)C1CC1 ZINC001366048139 956532613 /nfs/dbraw/zinc/53/26/13/956532613.db2.gz ZOQSGMOROJYEQD-HOTGVXAUSA-N 2 0 293.455 1.755 10 0 CDAERP O=C(N[C@H]1C[C@H]([NH2+]C/C=C\Cl)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001366116311 956576765 /nfs/dbraw/zinc/57/67/65/956576765.db2.gz MGLNQQZBTWTSIZ-ALXVVMKJSA-N 2 0 297.830 1.318 10 0 CDAERP CC[C@@H](C(=O)NC[C@H]1CC[N@@H+]1CCCC(C)C)[NH+](C)C ZINC001423129490 956612949 /nfs/dbraw/zinc/61/29/49/956612949.db2.gz OXJWMGZVABAGPV-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]CC ZINC001330826500 956653907 /nfs/dbraw/zinc/65/39/07/956653907.db2.gz GIHXHGMAMINQDW-KGLIPLIRSA-N 2 0 269.433 1.755 10 0 CDAERP Cc1cccnc1C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001366273057 956702442 /nfs/dbraw/zinc/70/24/42/956702442.db2.gz UPFRNFQDYWSKRA-ZFWWWQNUSA-N 2 0 290.411 1.079 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CC1CC1 ZINC001366281810 956708630 /nfs/dbraw/zinc/70/86/30/956708630.db2.gz BYJQQHGKXAIQOY-XJKSGUPXSA-N 2 0 293.455 1.898 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CC1CC1 ZINC001366281808 956710231 /nfs/dbraw/zinc/71/02/31/956710231.db2.gz BYJQQHGKXAIQOY-CZUORRHYSA-N 2 0 293.455 1.898 10 0 CDAERP C[C@H]1[C@H]([NH2+]CC2CCCC2)CCN1C(=O)CC[NH+](C)C ZINC001423330651 956725735 /nfs/dbraw/zinc/72/57/35/956725735.db2.gz XFYCDQUKPQUJHK-DZGCQCFKSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)[N@@H+]1CC[C@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001423345943 956731990 /nfs/dbraw/zinc/73/19/90/956731990.db2.gz HIJLTTKXNFZZAC-RHSMWYFYSA-N 2 0 293.455 1.850 10 0 CDAERP CC(C)CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001366424217 956811533 /nfs/dbraw/zinc/81/15/33/956811533.db2.gz BMZOATAQDHKNHN-HOTGVXAUSA-N 2 0 295.471 1.907 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CCCC1 ZINC001423535822 956832615 /nfs/dbraw/zinc/83/26/15/956832615.db2.gz XSFUCPSSMOMRHX-UKRRQHHQSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCC1CC1 ZINC001366467396 956851514 /nfs/dbraw/zinc/85/15/14/956851514.db2.gz DLVVKVMWVWXELJ-HIFRSBDPSA-N 2 0 281.444 1.755 10 0 CDAERP CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001424042354 957095870 /nfs/dbraw/zinc/09/58/70/957095870.db2.gz IFZTYWUSAPWDGF-KBPBESRZSA-N 2 0 283.460 1.668 10 0 CDAERP CCCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCc2cncn2C1 ZINC001331492460 957100425 /nfs/dbraw/zinc/10/04/25/957100425.db2.gz VFEMPIBCHBCKPH-KBPBESRZSA-N 2 0 292.427 1.682 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[NH+](CC2CCCC2)C1 ZINC001366717257 957138021 /nfs/dbraw/zinc/13/80/21/957138021.db2.gz ZEPZIFFYEJMYIA-MRXNPFEDSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001316995331 957191448 /nfs/dbraw/zinc/19/14/48/957191448.db2.gz VYHRCBNZWOMYCB-HNNXBMFYSA-N 2 0 281.444 1.851 10 0 CDAERP CCOCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001316996069 957192319 /nfs/dbraw/zinc/19/23/19/957192319.db2.gz VCQGMLZHIBTHOZ-HNNXBMFYSA-N 2 0 297.443 1.089 10 0 CDAERP CC(C)CC[N@H+](C)CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001424328140 957207897 /nfs/dbraw/zinc/20/78/97/957207897.db2.gz YDSVTCJSUHLVNL-UHFFFAOYSA-N 2 0 295.471 1.909 10 0 CDAERP CC(C)(C(=O)N1CC[C@H]([NH2+]CCCF)C1)[NH+]1CCCCC1 ZINC001317057464 957233032 /nfs/dbraw/zinc/23/30/32/957233032.db2.gz GUWWSJXHOQJHAY-AWEZNQCLSA-N 2 0 299.434 1.801 10 0 CDAERP CC(C)[NH2+]CC1(NC(=O)C[N@H+](C)C2CCC2)CCOCC1 ZINC001424465822 957243592 /nfs/dbraw/zinc/24/35/92/957243592.db2.gz GAIGSXFKLMBDNI-UHFFFAOYSA-N 2 0 297.443 1.134 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CCC(C)C)C1 ZINC001424468111 957244290 /nfs/dbraw/zinc/24/42/90/957244290.db2.gz IJCZPCLBOXCLIM-LSDHHAIUSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001367015343 957340806 /nfs/dbraw/zinc/34/08/06/957340806.db2.gz DXCLFCVSBUYAQG-HOCLYGCPSA-N 2 0 289.423 1.890 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCCC1CCC1 ZINC001317228797 957359432 /nfs/dbraw/zinc/35/94/32/957359432.db2.gz KLOXRXGDLIHRTF-ZFWWWQNUSA-N 2 0 281.444 1.755 10 0 CDAERP CCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001317245482 957375891 /nfs/dbraw/zinc/37/58/91/957375891.db2.gz QKJZNGLCPFPVRE-OLZOCXBDSA-N 2 0 255.406 1.365 10 0 CDAERP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCC1CC1 ZINC001317413983 957461607 /nfs/dbraw/zinc/46/16/07/957461607.db2.gz JJUOCSPSUDRVAF-GXTWGEPZSA-N 2 0 267.417 1.223 10 0 CDAERP CC[N@@H+]1CCCCC[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001425187069 957482418 /nfs/dbraw/zinc/48/24/18/957482418.db2.gz FBWQAZLFXIPLMT-CABCVRRESA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@@H](C[NH2+]CC2CC(C)C2)C1 ZINC001425412279 957528589 /nfs/dbraw/zinc/52/85/89/957528589.db2.gz FOSCFFLPMQJNPR-QJKUTOJQSA-N 2 0 295.471 1.857 10 0 CDAERP CCC[NH2+][C@H](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001425472135 957539458 /nfs/dbraw/zinc/53/94/58/957539458.db2.gz OLZJKTVYBNACND-JKSUJKDBSA-N 2 0 295.471 1.859 10 0 CDAERP CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001425511052 957548611 /nfs/dbraw/zinc/54/86/11/957548611.db2.gz RONMDMYNKLCJSS-HZPDHXFCSA-N 2 0 295.471 1.953 10 0 CDAERP CC/C=C/CC[NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001317626987 957609295 /nfs/dbraw/zinc/60/92/95/957609295.db2.gz QRKZTZZERBHZOY-NFAHFFEMSA-N 2 0 281.444 1.733 10 0 CDAERP CCC(CC)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001425883501 957635343 /nfs/dbraw/zinc/63/53/43/957635343.db2.gz AMDGGQNLLNJVOA-HIFRSBDPSA-N 2 0 283.460 1.953 10 0 CDAERP CCN1CCO[C@H](C(=O)N[C@H](C[NH2+]C(C)C)C(C)(C)C)C1 ZINC001426163422 957815971 /nfs/dbraw/zinc/81/59/71/957815971.db2.gz JORFWFOKUYSTOG-UONOGXRCSA-N 2 0 299.459 1.236 10 0 CDAERP C[C@@H](NC(=O)C[NH+]1CCCC1)C1CC[NH+](CCCF)CC1 ZINC001426178970 957823116 /nfs/dbraw/zinc/82/31/16/957823116.db2.gz RKPFHIWZYDKPBG-CQSZACIVSA-N 2 0 299.434 1.659 10 0 CDAERP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]C/C=C/Cl)C1 ZINC001426222786 957848457 /nfs/dbraw/zinc/84/84/57/957848457.db2.gz JBLDPUQLWRBKBX-QXZOEUHTSA-N 2 0 299.846 1.660 10 0 CDAERP CC/C=C\CC[NH+]1CC(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001318128096 957937152 /nfs/dbraw/zinc/93/71/52/957937152.db2.gz HHZASZVJLBAENH-PLNGDYQASA-N 2 0 293.455 1.875 10 0 CDAERP CCOCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001318386168 958071208 /nfs/dbraw/zinc/07/12/08/958071208.db2.gz LCTCGXRHLNHKCA-LSDHHAIUSA-N 2 0 297.443 1.040 10 0 CDAERP CCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001367817402 958394314 /nfs/dbraw/zinc/39/43/14/958394314.db2.gz XDABXUSXXDEEAU-LSDHHAIUSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001319168579 958409605 /nfs/dbraw/zinc/40/96/05/958409605.db2.gz VZCXWPQXHBTMJA-UONOGXRCSA-N 2 0 269.433 1.469 10 0 CDAERP CCC[N@@H+]1CCC[C@H](C(=O)NCC2([NH2+]C(C)C)CC2)C1 ZINC001368018634 958583197 /nfs/dbraw/zinc/58/31/97/958583197.db2.gz CLOZMJCCZZPXQX-AWEZNQCLSA-N 2 0 281.444 1.755 10 0 CDAERP CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001368238533 958721756 /nfs/dbraw/zinc/72/17/56/958721756.db2.gz HEEXJEXLXUPWTM-NSHDSACASA-N 2 0 277.359 1.031 10 0 CDAERP CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001319862391 958757598 /nfs/dbraw/zinc/75/75/98/958757598.db2.gz GCBWVBHAUCZVNA-GJZGRUSLSA-N 2 0 293.455 1.709 10 0 CDAERP CC[N@@H+]1CCC[C@@H](CNC(=[NH2+])NC[C@@H]2CCCS2)C1 ZINC001334086627 958824003 /nfs/dbraw/zinc/82/40/03/958824003.db2.gz HOJKWLIKEJFLJO-STQMWFEESA-N 2 0 284.473 1.728 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001368661384 959022489 /nfs/dbraw/zinc/02/24/89/959022489.db2.gz SVLKTTTWKSCAAA-QLQVPFRHSA-N 2 0 287.835 1.516 10 0 CDAERP CO[C@@H](C)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001368678385 959034563 /nfs/dbraw/zinc/03/45/63/959034563.db2.gz ZPVUERWJJGSYDJ-UONOGXRCSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@@H]1C[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CC1CCC1 ZINC001368695686 959051962 /nfs/dbraw/zinc/05/19/62/959051962.db2.gz PYBDLGMVGPXVIF-HIFRSBDPSA-N 2 0 281.444 1.707 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1CC ZINC001368697137 959052384 /nfs/dbraw/zinc/05/23/84/959052384.db2.gz FXNHNZMARZNJRR-HZSPNIEDSA-N 2 0 287.423 1.655 10 0 CDAERP O[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[NH2+]C23CCCC3)C1 ZINC001334389470 959078045 /nfs/dbraw/zinc/07/80/45/959078045.db2.gz HMRHMLJWFVXBOK-BFHYXJOUSA-N 2 0 252.402 1.802 10 0 CDAERP CC1(C)[C@@H](NCCC[NH+]2CCCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC001334389029 959079881 /nfs/dbraw/zinc/07/98/81/959079881.db2.gz GLEIPFQTKSHATC-ILXRZTDVSA-N 2 0 265.445 1.839 10 0 CDAERP Cc1nocc1C[NH2+][C@@H](C)CCNC(=O)C[N@H+](C)C(C)C ZINC001368755942 959106435 /nfs/dbraw/zinc/10/64/35/959106435.db2.gz SDHNDVFMPMLREP-LBPRGKRZSA-N 2 0 296.415 1.308 10 0 CDAERP CCCCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001320373909 959130208 /nfs/dbraw/zinc/13/02/08/959130208.db2.gz XPEZSJISPYSDGP-KGLIPLIRSA-N 2 0 269.433 1.755 10 0 CDAERP C[NH+]1CCC(CC(=O)N[C@H](C[NH2+]CCCF)C2CC2)CC1 ZINC001569321287 1169764747 /nfs/dbraw/zinc/76/47/47/1169764747.db2.gz LKEOQPULUKVIFP-OAHLLOKOSA-N 2 0 299.434 1.562 10 0 CDAERP C[C@H](CC[NH2+]Cc1ccns1)NC(=O)C[NH+]1CCCC1 ZINC001320640256 959290171 /nfs/dbraw/zinc/29/01/71/959290171.db2.gz OZRFWOHYQBXSLV-GFCCVEGCSA-N 2 0 296.440 1.223 10 0 CDAERP CCN(CC[NH2+]CC[C@@H](C)F)C(=O)C12CCC[NH+]1CCC2 ZINC001320781218 959388898 /nfs/dbraw/zinc/38/88/98/959388898.db2.gz FWORPJALFWKHMX-CQSZACIVSA-N 2 0 299.434 1.801 10 0 CDAERP CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001369203163 959528282 /nfs/dbraw/zinc/52/82/82/959528282.db2.gz CQXVOUMOTNKQDR-JKSUJKDBSA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@H](F)C[NH2+][C@@H](C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001369253356 959581043 /nfs/dbraw/zinc/58/10/43/959581043.db2.gz XVFYNXQUWXOUQH-STQMWFEESA-N 2 0 287.423 1.655 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC1CC1 ZINC001369266762 959588631 /nfs/dbraw/zinc/58/86/31/959588631.db2.gz XGHFLUQEIXKFLJ-HOCLYGCPSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)[N@H+](C)C[C@@H](O)CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001369518429 959731016 /nfs/dbraw/zinc/73/10/16/959731016.db2.gz ZEUIBQYAPDQCIC-OAHLLOKOSA-N 2 0 299.459 1.022 10 0 CDAERP Cc1nccn1CCCNC(=O)Nc1cc(C)nc(C)c1 ZINC001335428400 959793841 /nfs/dbraw/zinc/79/38/41/959793841.db2.gz KPFVAXHGRNFGNO-UHFFFAOYSA-N 2 0 287.367 1.837 10 0 CDAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@](C)(C[NH2+]CCF)C1CC1 ZINC001495259390 972459220 /nfs/dbraw/zinc/45/92/20/972459220.db2.gz PSWOJDJZEJCRCT-GOEBONIOSA-N 2 0 299.434 1.705 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C)C[NH2+]C/C=C/Cl)[NH+](C)C ZINC001321710576 959918080 /nfs/dbraw/zinc/91/80/80/959918080.db2.gz QIAGOJYNJMFZQW-JNQBIPAQSA-N 2 0 261.797 1.173 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH2+]C/C=C/Cl ZINC001321756594 959933091 /nfs/dbraw/zinc/93/30/91/959933091.db2.gz OJXCCGANKBZRQR-MVIFTORASA-N 2 0 261.797 1.173 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cncs2)C1 ZINC001370548279 960141693 /nfs/dbraw/zinc/14/16/93/960141693.db2.gz OKCXBOBCJOLRCE-HAQNSBGRSA-N 2 0 296.440 1.222 10 0 CDAERP C([C@H]1CCCO1)[C@H]1COCCN1C[C@@H]1CCC[NH2+]C1 ZINC001336092341 960199039 /nfs/dbraw/zinc/19/90/39/960199039.db2.gz AMFPDBOGJJLDQG-QLFBSQMISA-N 2 0 268.401 1.256 10 0 CDAERP C[C@H]1C[C@H](N(C)C(=O)C2([NH+](C)C)CCCC2)CC[N@@H+]1C ZINC001433726863 960558655 /nfs/dbraw/zinc/55/86/55/960558655.db2.gz NTNUQGYHBWDMTB-UONOGXRCSA-N 2 0 281.444 1.802 10 0 CDAERP COC[C@@H](C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1)C(C)C ZINC001560055885 960851754 /nfs/dbraw/zinc/85/17/54/960851754.db2.gz QWAJTUROZIIFEG-QLFBSQMISA-N 2 0 254.418 1.789 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001418661470 960867339 /nfs/dbraw/zinc/86/73/39/960867339.db2.gz RXLZKWXRYVUVOA-YHUYYLMFSA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CCNC(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001418908432 961149467 /nfs/dbraw/zinc/14/94/67/961149467.db2.gz OZVMCHHGIZYVNW-ZIAGYGMSSA-N 2 0 292.427 1.825 10 0 CDAERP O=C1NCC[C@H]1[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001434491663 961529750 /nfs/dbraw/zinc/52/97/50/961529750.db2.gz XXTVOADKPGPSFQ-IXDOHACOSA-N 2 0 299.418 1.329 10 0 CDAERP Cn1nccc1C[C@@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC001434495283 961540974 /nfs/dbraw/zinc/54/09/74/961540974.db2.gz UOGHZQZMBHKMGK-HOCLYGCPSA-N 2 0 276.428 1.911 10 0 CDAERP OC1(C[NH+]2CCCCC2)CC[NH+](C[C@H]2CCCCO2)CC1 ZINC001434508625 961581113 /nfs/dbraw/zinc/58/11/13/961581113.db2.gz KHBSCQVVIUDJNZ-MRXNPFEDSA-N 2 0 296.455 1.868 10 0 CDAERP CC(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001419352136 961625184 /nfs/dbraw/zinc/62/51/84/961625184.db2.gz WLBGVEZFRNJBEB-INIZCTEOSA-N 2 0 295.471 1.909 10 0 CDAERP C[C@@H](Cc1c[nH]cn1)C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CC2)C1 ZINC001419497065 961762390 /nfs/dbraw/zinc/76/23/90/961762390.db2.gz MVJZEBXCNYHYQV-FPMFFAJLSA-N 2 0 290.411 1.625 10 0 CDAERP CC[C@@H](F)C[NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001419742696 962060720 /nfs/dbraw/zinc/06/07/20/962060720.db2.gz HYSQMDWTJLWARH-QWHCGFSZSA-N 2 0 273.396 1.267 10 0 CDAERP CC(C)[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]C/C=C\Cl ZINC001419910860 962229187 /nfs/dbraw/zinc/22/91/87/962229187.db2.gz VQTKWNNAPZRISA-SMYYYNMVSA-N 2 0 275.824 1.421 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1C[NH+](C)C[C@H](C)O ZINC001436495494 962287720 /nfs/dbraw/zinc/28/77/20/962287720.db2.gz QFRDUSADFJTVCR-GJZGRUSLSA-N 2 0 299.459 1.022 10 0 CDAERP C[C@@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cccnc1 ZINC001420162474 962515151 /nfs/dbraw/zinc/51/51/51/962515151.db2.gz NSCFFYZGXXJSJM-AWEZNQCLSA-N 2 0 290.411 1.162 10 0 CDAERP C[C@H](F)CC[N@H+](C)CCNC(=O)C[NH+](C)C1CCC1 ZINC001420245416 962620458 /nfs/dbraw/zinc/62/04/58/962620458.db2.gz SOMWTPMMSIIOEN-LBPRGKRZSA-N 2 0 273.396 1.267 10 0 CDAERP CC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)CC[C@@H](C)F ZINC001420434344 962906448 /nfs/dbraw/zinc/90/64/48/962906448.db2.gz HICPWSDWDUFXQP-CYBMUJFWSA-N 2 0 285.407 1.268 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001420565400 963067401 /nfs/dbraw/zinc/06/74/01/963067401.db2.gz FGNLMFWIPVPUQJ-SOUVJXGZSA-N 2 0 283.460 1.953 10 0 CDAERP CC(C)C[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001420952955 963382522 /nfs/dbraw/zinc/38/25/22/963382522.db2.gz KNVVGOGJDGWXOQ-CQSZACIVSA-N 2 0 281.444 1.755 10 0 CDAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH2+]CC(C)C ZINC001438303144 963412581 /nfs/dbraw/zinc/41/25/81/963412581.db2.gz UOADYWQEVAMAGT-SOUVJXGZSA-N 2 0 283.460 1.857 10 0 CDAERP CC(C)C[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001440130375 963932494 /nfs/dbraw/zinc/93/24/94/963932494.db2.gz GYJUGNRRMNZFJB-GJZGRUSLSA-N 2 0 283.460 1.668 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CC2CCC2)C1 ZINC001440124985 963932602 /nfs/dbraw/zinc/93/26/02/963932602.db2.gz PQUNKIVTYHXNCR-GDBMZVCRSA-N 2 0 295.471 1.953 10 0 CDAERP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CCCF)[C@@H]1C)[NH+](C)C ZINC001440488093 964074979 /nfs/dbraw/zinc/07/49/79/964074979.db2.gz FTPLJWUBTUXDRH-HZSPNIEDSA-N 2 0 287.423 1.511 10 0 CDAERP CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]C[C@H](C)OC)[NH+](C)C ZINC001440716832 964142248 /nfs/dbraw/zinc/14/22/48/964142248.db2.gz UWEREFHNGVZZAP-SOUVJXGZSA-N 2 0 299.459 1.332 10 0 CDAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001441042093 964339952 /nfs/dbraw/zinc/33/99/52/964339952.db2.gz CJDLHRFKTAZSRP-OAHLLOKOSA-N 2 0 281.444 1.709 10 0 CDAERP CC(C)[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001441189685 964412610 /nfs/dbraw/zinc/41/26/10/964412610.db2.gz FGMHFDFFQZPWPI-CABCVRRESA-N 2 0 281.444 1.752 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)C1CC[NH+](C(C)C)CC1 ZINC001442215754 964925280 /nfs/dbraw/zinc/92/52/80/964925280.db2.gz FBLKPFZZESWDJY-CQSZACIVSA-N 2 0 283.460 1.952 10 0 CDAERP CCOCCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001569405331 1169859357 /nfs/dbraw/zinc/85/93/57/1169859357.db2.gz NWXOVEXWPLJWDP-AWEZNQCLSA-N 2 0 297.443 1.136 10 0 CDAERP CC[C@@H](F)C[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001442852474 965248720 /nfs/dbraw/zinc/24/87/20/965248720.db2.gz XNQKVSGRZITKDI-KGLIPLIRSA-N 2 0 287.423 1.655 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC[NH+](CC1CC(C)C1)C1CC1 ZINC001443064650 965339514 /nfs/dbraw/zinc/33/95/14/965339514.db2.gz YBUKKZBYDDOPRO-UHFFFAOYSA-N 2 0 295.471 1.953 10 0 CDAERP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccccc1 ZINC001443982511 965698541 /nfs/dbraw/zinc/69/85/41/965698541.db2.gz GDORGYBSMQTSRR-HNNXBMFYSA-N 2 0 277.412 1.623 10 0 CDAERP CC(C)[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]CC1CCC1 ZINC001444936690 966012547 /nfs/dbraw/zinc/01/25/47/966012547.db2.gz GYGVOFQNPBPNQO-HNNXBMFYSA-N 2 0 283.460 1.857 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@H]2CCCC[C@H]2[NH3+])C1 ZINC001349473027 966358629 /nfs/dbraw/zinc/35/86/29/966358629.db2.gz LDOARLSYGFMQKV-XUWVNRHRSA-N 2 0 295.471 1.988 10 0 CDAERP CCC[NH2+]C1(CC)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001447425449 966785147 /nfs/dbraw/zinc/78/51/47/966785147.db2.gz TWZXFNGXERMGGI-UHFFFAOYSA-N 2 0 281.444 1.853 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)Cc1cccc2c[nH]nc21 ZINC001351678559 966975876 /nfs/dbraw/zinc/97/58/76/966975876.db2.gz DAKABCULGKNBBR-UHFFFAOYSA-N 2 0 262.357 1.231 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)C[C@H]1CCCOC1 ZINC001448139686 967012747 /nfs/dbraw/zinc/01/27/47/967012747.db2.gz ACYMIVSDXGBIMF-HUUCEWRRSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@@H]1CN(C[C@H](O)C[NH+]2CCCC2)CC2(CCCCC2)O1 ZINC000847097655 967028500 /nfs/dbraw/zinc/02/85/00/967028500.db2.gz MHJFCHKIUOKVQC-HZPDHXFCSA-N 2 0 296.455 1.867 10 0 CDAERP CC(C)C[N@H+](C)C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001448553408 967151631 /nfs/dbraw/zinc/15/16/31/967151631.db2.gz NPSBNWCTWYSKRG-UHFFFAOYSA-N 2 0 283.460 1.905 10 0 CDAERP CCCCCC[NH+]1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001569498422 1169902834 /nfs/dbraw/zinc/90/28/34/1169902834.db2.gz IJOBFXWUXZQUMY-UHFFFAOYSA-N 2 0 269.433 1.661 10 0 CDAERP C[C@H](CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CCF ZINC001448725169 967228338 /nfs/dbraw/zinc/22/83/38/967228338.db2.gz HRLHFUNTLVMIAD-KGLIPLIRSA-N 2 0 287.423 1.657 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001448786868 967254265 /nfs/dbraw/zinc/25/42/65/967254265.db2.gz ZFMLEHQVOCGCSX-ZIAGYGMSSA-N 2 0 271.449 1.809 10 0 CDAERP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC1CCC1 ZINC001480486716 967952223 /nfs/dbraw/zinc/95/22/23/967952223.db2.gz NYZSMJDUVIXVEJ-GXTWGEPZSA-N 2 0 267.417 1.365 10 0 CDAERP CC[N@@H+]1CCC[C@H](CN[C@H]2CC[NH2+]C23CCCC3)C1 ZINC001354228564 968553649 /nfs/dbraw/zinc/55/36/49/968553649.db2.gz KOEUGHLCCJMMET-CABCVRRESA-N 2 0 265.445 1.983 10 0 CDAERP C[C@@H]1C[C@@H]1C(N)=NOCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000848521935 969147660 /nfs/dbraw/zinc/14/76/60/969147660.db2.gz UWNZEPLHCNKWTA-WYUUTHIRSA-N 2 0 253.346 1.004 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)[C@@H](C)C1 ZINC000848569459 969177959 /nfs/dbraw/zinc/17/79/59/969177959.db2.gz ALKANYWQRGSXIE-YUTCNCBUSA-N 2 0 281.400 1.290 10 0 CDAERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC[NH+](C)CC(C)C ZINC000849047074 969434524 /nfs/dbraw/zinc/43/45/24/969434524.db2.gz PCASYVSCRMSHGU-OAHLLOKOSA-N 3 0 297.491 1.563 10 0 CDAERP C[C@H]1CCC[N@H+](CCCCNC2=[NH+]CCCCN2)C1 ZINC000849215511 969915743 /nfs/dbraw/zinc/91/57/43/969915743.db2.gz NQFJBZSYSHKGBQ-AWEZNQCLSA-N 2 0 266.433 1.828 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)C1 ZINC001468343553 970153652 /nfs/dbraw/zinc/15/36/52/970153652.db2.gz OQCIYAFGUMIWGH-QPSCCSFWSA-N 2 0 279.428 1.269 10 0 CDAERP CN(C)Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)o1 ZINC001361670476 970401663 /nfs/dbraw/zinc/40/16/63/970401663.db2.gz QDNQZPQPHMUPDV-LBPRGKRZSA-N 2 0 291.395 1.555 10 0 CDAERP C[NH+](C)CC1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001361783987 970527246 /nfs/dbraw/zinc/52/72/46/970527246.db2.gz MYGKUXRJFBIDFO-HOTGVXAUSA-N 2 0 295.471 1.907 10 0 CDAERP CC(C)C[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001472245025 970608122 /nfs/dbraw/zinc/60/81/22/970608122.db2.gz DOUSVCCSKXGBBU-INIZCTEOSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C[NH2+]CCCF ZINC001495664522 972584126 /nfs/dbraw/zinc/58/41/26/972584126.db2.gz HHPYTZXEVHMVBH-JSGCOSHPSA-N 2 0 285.407 1.030 10 0 CDAERP CC(C)CCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001495716104 972604003 /nfs/dbraw/zinc/60/40/03/972604003.db2.gz GLEYKUIYVPVYDB-HUUCEWRRSA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)=CC[NH2+]CC[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001497206230 973245236 /nfs/dbraw/zinc/24/52/36/973245236.db2.gz RSLYUNNQWSDQLC-AWEZNQCLSA-N 2 0 281.444 1.921 10 0 CDAERP CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001497728174 973480455 /nfs/dbraw/zinc/48/04/55/973480455.db2.gz ASPDQWZPEKUXMG-JGUVHBTRSA-N 2 0 281.444 1.779 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001373608291 973511181 /nfs/dbraw/zinc/51/11/81/973511181.db2.gz ICOPDNZKDNGDHQ-HNNXBMFYSA-N 2 0 295.471 1.955 10 0 CDAERP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001373681895 973565847 /nfs/dbraw/zinc/56/58/47/973565847.db2.gz VTHAWUGBKMMMLC-CQSZACIVSA-N 2 0 283.460 1.907 10 0 CDAERP CC[C@@H](C(=O)N[C@H](C)C[NH2+]C[C@@H]1CC(C)(C)CO1)[NH+](C)C ZINC001497911834 973573948 /nfs/dbraw/zinc/57/39/48/973573948.db2.gz CBLCMDOINKZWHR-RDBSUJKOSA-N 2 0 299.459 1.236 10 0 CDAERP CC[C@H](F)C[NH2+]CC1(NC(=O)[C@H]2CCC[N@@H+]2C)CCCC1 ZINC001373852260 973667673 /nfs/dbraw/zinc/66/76/73/973667673.db2.gz ASARZSMBUSDHDZ-UONOGXRCSA-N 2 0 299.434 1.847 10 0 CDAERP C[C@@H](C[NH2+]CC1CC1)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001498118635 973693027 /nfs/dbraw/zinc/69/30/27/973693027.db2.gz UHVPYAOVMSTZTK-BLLLJJGKSA-N 2 0 299.434 1.703 10 0 CDAERP CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccsc1)[NH+](C)C ZINC001418269144 973712546 /nfs/dbraw/zinc/71/25/46/973712546.db2.gz KDXNODKUOFCTAY-TZMCWYRMSA-N 2 0 297.468 1.929 10 0 CDAERP CC[C@H](F)C[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001418347518 973759436 /nfs/dbraw/zinc/75/94/36/973759436.db2.gz XNZPEIIOUHRDED-KGLIPLIRSA-N 2 0 299.434 1.657 10 0 CDAERP CCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001498280089 973806462 /nfs/dbraw/zinc/80/64/62/973806462.db2.gz INEGICPQKOWXRU-UONOGXRCSA-N 2 0 269.433 1.706 10 0 CDAERP C[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CC1CCC1 ZINC001418461519 973865929 /nfs/dbraw/zinc/86/59/29/973865929.db2.gz NAHJGKXKAHQXHP-OAHLLOKOSA-N 2 0 279.428 1.176 10 0 CDAERP C[C@@H](C[N@H+](C)C[C@@H]1CCCCO1)NC(=O)C[NH+]1CCCC1 ZINC001498454274 973924910 /nfs/dbraw/zinc/92/49/10/973924910.db2.gz BOLXPCJDSXSYEH-GJZGRUSLSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@H](C[N@H+](C)C[C@H]1CCCCO1)NC(=O)C[NH+]1CCCC1 ZINC001498454276 973925764 /nfs/dbraw/zinc/92/57/64/973925764.db2.gz BOLXPCJDSXSYEH-HUUCEWRRSA-N 2 0 297.443 1.088 10 0 CDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]C(C)C)C(C)C ZINC001374455004 973953792 /nfs/dbraw/zinc/95/37/92/973953792.db2.gz RUPMQWJKPPGALV-HUUCEWRRSA-N 2 0 283.460 2.000 10 0 CDAERP CN(CCC[NH2+]CC1CC(C)(C)C1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001498592933 973993786 /nfs/dbraw/zinc/99/37/86/973993786.db2.gz WTZWGYQLNLUECD-OAHLLOKOSA-N 2 0 295.471 1.955 10 0 CDAERP CC(C)(C(=O)N[C@H](C[NH2+]CCF)C1CC1)[NH+]1CCCCC1 ZINC001498761435 974051617 /nfs/dbraw/zinc/05/16/17/974051617.db2.gz RVZNBZAWAHXRPN-CQSZACIVSA-N 2 0 299.434 1.705 10 0 CDAERP C[NH+](C)C1(C(=O)N[C@@H](C[NH2+]C/C=C/Cl)C2CC2)CCC1 ZINC001498769525 974057066 /nfs/dbraw/zinc/05/70/66/974057066.db2.gz IJPGIUDKOHPPDC-FAFAAHBOSA-N 2 0 299.846 1.708 10 0 CDAERP CN(C(=O)CC[NH+](C)C)C1C[NH+](CCCC(C)(C)C)C1 ZINC001499742921 974295814 /nfs/dbraw/zinc/29/58/14/974295814.db2.gz XURVVJONECDYKS-UHFFFAOYSA-N 2 0 283.460 1.907 10 0 CDAERP CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001375315407 974330732 /nfs/dbraw/zinc/33/07/32/974330732.db2.gz SSCPFEXPRGFCBU-CHWSQXEVSA-N 2 0 273.396 1.267 10 0 CDAERP CC(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001375577061 974428730 /nfs/dbraw/zinc/42/87/30/974428730.db2.gz OOKPGWFRAWKSNV-LSDHHAIUSA-N 2 0 283.460 1.859 10 0 CDAERP CC(C)C[NH+]1CC(N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001375687063 974454674 /nfs/dbraw/zinc/45/46/74/974454674.db2.gz JEXMSMZDCDASTQ-CQSZACIVSA-N 2 0 281.444 1.659 10 0 CDAERP CCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001501569445 974601496 /nfs/dbraw/zinc/60/14/96/974601496.db2.gz YGEYZMVBIKYNEF-QLFBSQMISA-N 2 0 281.444 1.565 10 0 CDAERP COC[C@H](C)[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001376330339 974632824 /nfs/dbraw/zinc/63/28/24/974632824.db2.gz NXRUXDUGXUAQKX-KBPBESRZSA-N 2 0 297.443 1.086 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001376366350 974643020 /nfs/dbraw/zinc/64/30/20/974643020.db2.gz MQAZAFNJTXPIMK-IHRRRGAJSA-N 2 0 281.444 1.754 10 0 CDAERP CC[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)[NH+](C)C ZINC001376426100 974658286 /nfs/dbraw/zinc/65/82/86/974658286.db2.gz RHUBWWISZWNYLJ-WTXIUTQJSA-N 2 0 293.455 1.848 10 0 CDAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CC[C@H](C)O2)C1 ZINC001376490876 974675074 /nfs/dbraw/zinc/67/50/74/974675074.db2.gz LYVJKQYJSCRMPG-BYNSBNAKSA-N 2 0 297.443 1.133 10 0 CDAERP CC[C@@H](F)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001376658060 974705394 /nfs/dbraw/zinc/70/53/94/974705394.db2.gz SDBKRNJIFCXIMX-NIFZNCRKSA-N 2 0 299.434 1.367 10 0 CDAERP C[C@@H](F)CC[N@H+](C)CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001502390727 974733110 /nfs/dbraw/zinc/73/31/10/974733110.db2.gz PIKIYSBAEVPWEC-CQSZACIVSA-N 2 0 299.434 1.611 10 0 CDAERP CCCC[NH+]1CC2(C1)CC[C@H](CNC(=O)CC[NH+](C)C)O2 ZINC001502438871 974739424 /nfs/dbraw/zinc/73/94/24/974739424.db2.gz KGFFVWOOHLVNPR-CQSZACIVSA-N 2 0 297.443 1.088 10 0 CDAERP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCC(F)(F)F ZINC001377104838 974883264 /nfs/dbraw/zinc/88/32/64/974883264.db2.gz HRVXTZHWMPDQQV-WDEREUQCSA-N 2 0 295.349 1.375 10 0 CDAERP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)CCOC ZINC001377501299 975052885 /nfs/dbraw/zinc/05/28/85/975052885.db2.gz XUPXJSIZPPTPFO-GJZGRUSLSA-N 2 0 299.459 1.191 10 0 CDAERP CCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001505986152 975073847 /nfs/dbraw/zinc/07/38/47/975073847.db2.gz QRZBBPSAVVEBHT-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP O=C(C[NH+]1CCCC1)NCC[C@@H]1CC[N@@H+](C/C=C\Cl)C1 ZINC001377719574 975119258 /nfs/dbraw/zinc/11/92/58/975119258.db2.gz KZWPWZYHHFNBRT-JHAQOBCDSA-N 2 0 299.846 1.663 10 0 CDAERP CC[C@H](C(=O)N1CC[C@H](C[N@H+](C)CCC2CC2)C1)[NH+](C)C ZINC001377755983 975129914 /nfs/dbraw/zinc/12/99/14/975129914.db2.gz PRXKSLBYZRDBEG-HZPDHXFCSA-N 2 0 295.471 1.907 10 0 CDAERP C[C@H](NC(=O)C[NH+]1CCC(C)CC1)[C@H](C)[NH2+]CC1CC1 ZINC001377867439 975161310 /nfs/dbraw/zinc/16/13/10/975161310.db2.gz YAOZAOCIKHWGAX-KBPBESRZSA-N 2 0 281.444 1.611 10 0 CDAERP C[C@@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C1C[NH+](CCCF)C1 ZINC001506631642 975193894 /nfs/dbraw/zinc/19/38/94/975193894.db2.gz QBVIONXQPKXWGK-UKRRQHHQSA-N 2 0 299.434 1.657 10 0 CDAERP CCC[NH2+][C@@H](C)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001507148204 975354549 /nfs/dbraw/zinc/35/45/49/975354549.db2.gz LDRXELZEKKJYOG-STQMWFEESA-N 2 0 255.406 1.175 10 0 CDAERP CCC[NH2+][C@@H](CO)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001507212279 975373179 /nfs/dbraw/zinc/37/31/79/975373179.db2.gz UBBCLVPCKCONEE-CYBMUJFWSA-N 2 0 299.459 1.116 10 0 CDAERP CC(C)[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001404504675 975411485 /nfs/dbraw/zinc/41/14/85/975411485.db2.gz VEYUHTKKLQOOSR-HUUCEWRRSA-N 2 0 281.444 1.707 10 0 CDAERP CCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001507322875 975416302 /nfs/dbraw/zinc/41/63/02/975416302.db2.gz UPGLLHGCQQPZGH-KGLIPLIRSA-N 2 0 269.433 1.707 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CCCF)C[C@@H]1C ZINC001507338186 975422760 /nfs/dbraw/zinc/42/27/60/975422760.db2.gz IGOLICWLLNFSKE-STQMWFEESA-N 2 0 273.396 1.265 10 0 CDAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]C(C)C)[C@H]2C1 ZINC001507362410 975431025 /nfs/dbraw/zinc/43/10/25/975431025.db2.gz GRGXERXRYIZBCY-HRCADAONSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]([NH2+]CCCF)C(C)(C)C2)C1 ZINC001507445899 975472998 /nfs/dbraw/zinc/47/29/98/975472998.db2.gz LCQPXUBXNKIMNC-UONOGXRCSA-N 2 0 299.434 1.514 10 0 CDAERP CC(C)[NH2+][C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C(C)C ZINC001401335148 975595938 /nfs/dbraw/zinc/59/59/38/975595938.db2.gz KGDVFNWUOXUQIS-CQSZACIVSA-N 2 0 283.460 2.000 10 0 CDAERP COCCCC[NH2+]C1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001508148115 975622674 /nfs/dbraw/zinc/62/26/74/975622674.db2.gz TUKWYQPBKKIBSS-UHFFFAOYSA-N 2 0 297.443 1.088 10 0 CDAERP CCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](C[C@H](C)OC)C1 ZINC001405190237 975668148 /nfs/dbraw/zinc/66/81/48/975668148.db2.gz DNTKBJFZILVZKQ-LSDHHAIUSA-N 2 0 297.443 1.040 10 0 CDAERP CN(CC[N@H+](C)CC1CCCC1)C(=O)C12CC[NH+](CC1)C2 ZINC001379125010 975679604 /nfs/dbraw/zinc/67/96/04/975679604.db2.gz HXIFYIWKDOMACI-UHFFFAOYSA-N 2 0 293.455 1.663 10 0 CDAERP CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@@H]21 ZINC001379148159 975691756 /nfs/dbraw/zinc/69/17/56/975691756.db2.gz JCMGJVIQAGRZHU-CABCVRRESA-N 2 0 281.444 1.659 10 0 CDAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]CC1CCCC1 ZINC001405630730 975790987 /nfs/dbraw/zinc/79/09/87/975790987.db2.gz AWUIKAHKKAKJIR-SQWLQELKSA-N 2 0 295.471 1.859 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC12CC[NH+](CCF)CC2 ZINC001389524709 975887428 /nfs/dbraw/zinc/88/74/28/975887428.db2.gz GFBPUKMHXQEEPS-ZDUSSCGKSA-N 2 0 285.407 1.267 10 0 CDAERP CCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001401775957 975897613 /nfs/dbraw/zinc/89/76/13/975897613.db2.gz AVVVXQKVSWUGBT-LSDHHAIUSA-N 2 0 283.460 1.955 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001379625610 975963185 /nfs/dbraw/zinc/96/31/85/975963185.db2.gz LTBXFGGPKJRMTE-HOCLYGCPSA-N 2 0 281.444 1.707 10 0 CDAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]([NH2+]CC(C)C)C1 ZINC001389775312 975983314 /nfs/dbraw/zinc/98/33/14/975983314.db2.gz SXRHBICBUHUVEB-UONOGXRCSA-N 2 0 287.423 1.513 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001389878843 976029886 /nfs/dbraw/zinc/02/98/86/976029886.db2.gz BDSMTIYNQLCBFN-KBUPBQIOSA-N 2 0 281.444 1.611 10 0 CDAERP CO[C@@H](C)C[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001379729928 976037728 /nfs/dbraw/zinc/03/77/28/976037728.db2.gz LURSVRXFPXWXQZ-KGLIPLIRSA-N 2 0 299.459 1.332 10 0 CDAERP CC[C@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001389996182 976077883 /nfs/dbraw/zinc/07/78/83/976077883.db2.gz YFADZKLOSVPDBY-MELADBBJSA-N 2 0 285.407 1.313 10 0 CDAERP CC[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001398668042 976099315 /nfs/dbraw/zinc/09/93/15/976099315.db2.gz DOZIQNJREWHCGX-KBXIAJHMSA-N 2 0 283.460 1.856 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H]1CCC[NH+](CC2CC2)C1 ZINC001390161014 976147139 /nfs/dbraw/zinc/14/71/39/976147139.db2.gz MBIQNEYMAJZPDV-HOCLYGCPSA-N 2 0 295.471 1.953 10 0 CDAERP C[C@@H](F)CC[NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001402359006 976248664 /nfs/dbraw/zinc/24/86/64/976248664.db2.gz IPISQTSIKWPZJK-TZMCWYRMSA-N 2 0 297.418 1.315 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]([NH2+]CCC2CC2)C2CC2)C1 ZINC001402367356 976252282 /nfs/dbraw/zinc/25/22/82/976252282.db2.gz SDRKDEFIIBWXGB-GDBMZVCRSA-N 2 0 293.455 1.613 10 0 CDAERP COCC[NH+]1CCC([C@@H](C)NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001380127422 976255291 /nfs/dbraw/zinc/25/52/91/976255291.db2.gz BIFDHVLRZRNGCE-CQSZACIVSA-N 2 0 299.459 1.190 10 0 CDAERP C[C@@H](F)CC[NH2+][C@@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001402504073 976323060 /nfs/dbraw/zinc/32/30/60/976323060.db2.gz CTODOILXDRAIAZ-GZBLMMOJSA-N 2 0 299.434 1.702 10 0 CDAERP CC(C)CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001380378210 976396149 /nfs/dbraw/zinc/39/61/49/976396149.db2.gz PDBALIIGFNHQBY-DOTOQJQBSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](F)CC[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001402647433 976420386 /nfs/dbraw/zinc/42/03/86/976420386.db2.gz UMSTYPZRNKJLPT-SOUVJXGZSA-N 2 0 299.434 1.847 10 0 CDAERP CC(C)[NH2+][C@@H](C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001399429237 976477950 /nfs/dbraw/zinc/47/79/50/976477950.db2.gz HPOWNTZXYUXMQC-GJZGRUSLSA-N 2 0 283.460 2.000 10 0 CDAERP C[C@H](F)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001406996691 976509488 /nfs/dbraw/zinc/50/94/88/976509488.db2.gz ANKZSSPSJHIUPM-ZNMIVQPWSA-N 2 0 299.434 1.752 10 0 CDAERP C[C@H](O)CCC[N@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001399555910 976562855 /nfs/dbraw/zinc/56/28/55/976562855.db2.gz FWXKXTLCBRIYKK-AWEZNQCLSA-N 2 0 299.459 1.070 10 0 CDAERP CC[C@H](F)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CCC1 ZINC001380877513 976589258 /nfs/dbraw/zinc/58/92/58/976589258.db2.gz OAZFUKIMDHCGAB-KBPBESRZSA-N 2 0 299.434 1.847 10 0 CDAERP CC(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001402931043 976594332 /nfs/dbraw/zinc/59/43/32/976594332.db2.gz UXOTXGYOQAQDNN-HNNXBMFYSA-N 2 0 293.455 1.661 10 0 CDAERP CC[C@H](C)C[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001391114284 976697029 /nfs/dbraw/zinc/69/70/29/976697029.db2.gz KYSXBRZGSYDOJI-LSDHHAIUSA-N 2 0 281.444 1.566 10 0 CDAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC1CC1 ZINC001407682153 976733548 /nfs/dbraw/zinc/73/35/48/976733548.db2.gz ZMFVIHOUWOMOOO-HOTGVXAUSA-N 2 0 293.455 1.804 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H](CCNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001391321366 976811784 /nfs/dbraw/zinc/81/17/84/976811784.db2.gz DBVFKSDXGCIOCZ-HZPDHXFCSA-N 2 0 295.471 1.812 10 0 CDAERP CC[N@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001403225185 976826708 /nfs/dbraw/zinc/82/67/08/976826708.db2.gz KXJXXLONVHMESL-CABCVRRESA-N 2 0 283.460 1.953 10 0 CDAERP C[NH+](C)CCC(=O)N1CC2(C1)CCC[N@H+](C/C=C\Cl)C2 ZINC001403402437 976935697 /nfs/dbraw/zinc/93/56/97/976935697.db2.gz DMMTXJVMCNOYAL-DAXSKMNVSA-N 2 0 299.846 1.615 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NCC[C@H](C)[NH2+]CCC(F)(F)F ZINC001408244731 976975480 /nfs/dbraw/zinc/97/54/80/976975480.db2.gz QZZWHWMBFXWOSF-NSHDSACASA-N 2 0 297.365 1.763 10 0 CDAERP Cc1ccccc1C[NH+]1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001400529958 977078889 /nfs/dbraw/zinc/07/88/89/977078889.db2.gz ULNKHVCCDJOHAB-UHFFFAOYSA-N 2 0 289.423 1.495 10 0 CDAERP CC[N@H+](C)CCC(=O)N1C[C@]2(C)C[NH+](CC)C[C@]2(C)C1 ZINC001381946436 977093251 /nfs/dbraw/zinc/09/32/51/977093251.db2.gz BLKQWUONENGLFS-IYBDPMFKSA-N 2 0 281.444 1.519 10 0 CDAERP CCC[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1ocnc1C ZINC001403632627 977115682 /nfs/dbraw/zinc/11/56/82/977115682.db2.gz KDHXFVPYZHDRCH-LBPRGKRZSA-N 2 0 296.415 1.261 10 0 CDAERP CC[C@H](C)C[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001404286701 977398207 /nfs/dbraw/zinc/39/82/07/977398207.db2.gz PRRZQDWIFRKNSW-GJZGRUSLSA-N 2 0 295.471 1.955 10 0 CDAERP C[C@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001392507820 977466842 /nfs/dbraw/zinc/46/68/42/977466842.db2.gz AADMDIIOOOBVGJ-UONOGXRCSA-N 2 0 295.471 1.859 10 0 CDAERP Cc1ccccc1C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001392530829 977472731 /nfs/dbraw/zinc/47/27/31/977472731.db2.gz QTQWKPWPBSWPTC-ZBFHGGJFSA-N 2 0 289.423 1.541 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1CC[N@@H+]1C(C)C ZINC001392834552 977612813 /nfs/dbraw/zinc/61/28/13/977612813.db2.gz LUYGISOBLUMILC-STQMWFEESA-N 2 0 273.396 1.265 10 0 CDAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@@]2(C)CC[NH+](CC3CC3)C2)C1 ZINC001393116640 977710067 /nfs/dbraw/zinc/71/00/67/977710067.db2.gz GVPLZDMUIDYXDG-HOCLYGCPSA-N 2 0 279.428 1.319 10 0 CDAERP C[C@H](F)CC[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CCC1 ZINC001393556539 977834711 /nfs/dbraw/zinc/83/47/11/977834711.db2.gz XKNLDAZJHQALMI-ZDUSSCGKSA-N 2 0 299.434 1.705 10 0 CDAERP CCCCC[NH2+][C@@H](C)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001674774916 1174008193 /nfs/dbraw/zinc/00/81/93/1174008193.db2.gz SXJBLXYZGNHZEB-KBPBESRZSA-N 2 0 269.433 1.755 10 0 CDAERP CCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001675484781 1174118984 /nfs/dbraw/zinc/11/89/84/1174118984.db2.gz BGFHJAPMWOFGEF-CYBMUJFWSA-N 2 0 269.433 1.563 10 0 CDAERP C[C@H](CCC[NH2+]CC1CCC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001675869332 1174158551 /nfs/dbraw/zinc/15/85/51/1174158551.db2.gz RGVHXFALLPVSNJ-HIFRSBDPSA-N 2 0 281.444 1.755 10 0 CDAERP CC(C)[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001675920827 1174164665 /nfs/dbraw/zinc/16/46/65/1174164665.db2.gz SCCJYHHTOVYWEV-KGLIPLIRSA-N 2 0 269.433 1.754 10 0 CDAERP CCC[NH2+]C[C@@H](NC(=O)CC[N@H+](C)CC)C(C)(C)C ZINC001677296606 1174346990 /nfs/dbraw/zinc/34/69/90/1174346990.db2.gz AYOQZXCVPQSVGP-CYBMUJFWSA-N 2 0 271.449 1.859 10 0 CDAERP C[C@@H](O)C[NH2+]C[C@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001570092751 1170075797 /nfs/dbraw/zinc/07/57/97/1170075797.db2.gz KJFUQJHLXMLFGJ-HUUCEWRRSA-N 2 0 299.459 1.070 10 0 CDAERP CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001570909967 1170318015 /nfs/dbraw/zinc/31/80/15/1170318015.db2.gz UMJGMIHMBGXDDY-GFCCVEGCSA-N 2 0 255.406 1.173 10 0 CDAERP CO[C@@H](C)C[NH2+]CCC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001571304904 1170361746 /nfs/dbraw/zinc/36/17/46/1170361746.db2.gz QJYMXFYMTSLKPR-KBPBESRZSA-N 2 0 299.459 1.238 10 0 CDAERP CC[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001571399724 1170412913 /nfs/dbraw/zinc/41/29/13/1170412913.db2.gz XKPDZZJKVBHEIR-LBPRGKRZSA-N 2 0 255.406 1.317 10 0 CDAERP CCCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001571580363 1170483538 /nfs/dbraw/zinc/48/35/38/1170483538.db2.gz ONMQATOBZIDYID-GJZGRUSLSA-N 2 0 299.459 1.068 10 0 CDAERP O[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C[NH2+]C1CC1 ZINC000095078364 342463532 /nfs/dbraw/zinc/46/35/32/342463532.db2.gz JBTXYSPDVSLCFG-GOEBONIOSA-N 2 0 260.381 1.621 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)N[C@H]1CCC[NH+](C)C1 ZINC000618547991 349478301 /nfs/dbraw/zinc/47/83/01/349478301.db2.gz GIDTYNMVUDVYJC-CABCVRRESA-N 2 0 296.459 1.644 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000601244560 342539172 /nfs/dbraw/zinc/53/91/72/342539172.db2.gz WQJJNFLHDDJYSI-HUUCEWRRSA-N 2 0 298.475 1.889 10 0 CDAERP COCc1cnc(C[NH2+]CCC2(C[NH3+])CC2)s1 ZINC000650713366 398157923 /nfs/dbraw/zinc/15/79/23/398157923.db2.gz QJOAJVSGACEALF-UHFFFAOYSA-N 2 0 255.387 1.508 10 0 CDAERP CC(C)C[N@H+](C)CCCN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000650740239 398170759 /nfs/dbraw/zinc/17/07/59/398170759.db2.gz JJGGLZOQDRXXMB-RRFJBIMHSA-N 2 0 271.449 1.306 10 0 CDAERP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000650743600 398171587 /nfs/dbraw/zinc/17/15/87/398171587.db2.gz XGXSOROSDRPTPI-WUHRBBMRSA-N 2 0 253.390 1.151 10 0 CDAERP [NH3+]CC1(CCN[C@H](c2ncc[nH]2)c2cccnc2)CC1 ZINC000650747158 398174155 /nfs/dbraw/zinc/17/41/55/398174155.db2.gz SYMAJHCHENMIGB-ZDUSSCGKSA-N 2 0 271.368 1.613 10 0 CDAERP COc1ccc(C[C@@H](C)[NH2+]CCC2(C[NH3+])CC2)cn1 ZINC000650747859 398174179 /nfs/dbraw/zinc/17/41/79/398174179.db2.gz JENQEYXQBQYKDB-GFCCVEGCSA-N 2 0 263.385 1.740 10 0 CDAERP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C1CC1)[C@H]1CNCCO1 ZINC000650756139 398179117 /nfs/dbraw/zinc/17/91/17/398179117.db2.gz VHWCWZZCZVWAIS-SJORKVTESA-N 2 0 289.423 1.263 10 0 CDAERP CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1ccccc1C[NH2+]C ZINC000650720256 398160486 /nfs/dbraw/zinc/16/04/86/398160486.db2.gz JWLYISVFTHELLR-GFCCVEGCSA-N 2 0 284.425 1.319 10 0 CDAERP CC(C)(C)[NH2+]CCN1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000650725042 398164864 /nfs/dbraw/zinc/16/48/64/398164864.db2.gz RWBKWXJDXAZUIJ-ZNMIVQPWSA-N 2 0 283.460 1.735 10 0 CDAERP C[N@H+](CCOC1CCOCC1)C[C@@H]1CCC[NH+](C)C1 ZINC000625185011 342038966 /nfs/dbraw/zinc/03/89/66/342038966.db2.gz PUTFQVYJLZBSHI-CQSZACIVSA-N 2 0 270.417 1.456 10 0 CDAERP [NH3+]CCN1CC[NH2+][C@@H](c2cccc3ccncc32)C1 ZINC000616604098 361820016 /nfs/dbraw/zinc/82/00/16/361820016.db2.gz UOIUAPVWGVOYSJ-OAHLLOKOSA-N 2 0 256.353 1.140 10 0 CDAERP C[C@@H]1C[C@H]([NH2+]C[C@H](O)COCc2ccco2)CC[N@@H+]1C ZINC000158248249 342072578 /nfs/dbraw/zinc/07/25/78/342072578.db2.gz HMEZYVQZSHXNCW-MCIONIFRSA-N 2 0 282.384 1.229 10 0 CDAERP Cn1ccc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3C[NH+](C)C)n1 ZINC000096081870 185091543 /nfs/dbraw/zinc/09/15/43/185091543.db2.gz ISDJWZMFTQUAHN-SQWLQELKSA-N 2 0 276.428 1.830 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2nccn2C1 ZINC000617007397 342603719 /nfs/dbraw/zinc/60/37/19/342603719.db2.gz RWUVPSPGRBCRFN-QWHCGFSZSA-N 2 0 290.411 1.435 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2nccn2C1 ZINC000617007395 342603767 /nfs/dbraw/zinc/60/37/67/342603767.db2.gz RWUVPSPGRBCRFN-CHWSQXEVSA-N 2 0 290.411 1.435 10 0 CDAERP O=C(C[N@@H+]1CCC[C@@H]1C1CC1)NC1CC[NH+](C2CC2)CC1 ZINC000591377170 342629418 /nfs/dbraw/zinc/62/94/18/342629418.db2.gz HLGFGXJJCKDLAP-MRXNPFEDSA-N 2 0 291.439 1.604 10 0 CDAERP CCOC(=O)C1([C@H](C)[NH2+]CC[C@H]2CCCO2)CC[NH2+]CC1 ZINC000591569430 342637257 /nfs/dbraw/zinc/63/72/57/342637257.db2.gz PWANMVVCBLMZGO-UONOGXRCSA-N 2 0 298.427 1.467 10 0 CDAERP COC(=O)C(C)(C)CC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592184469 342679650 /nfs/dbraw/zinc/67/96/50/342679650.db2.gz LXQFQRUXRPNSFT-UHFFFAOYSA-N 2 0 298.427 1.372 10 0 CDAERP C[NH2+][C@H]1CCC[C@@H]1N1CC[NH+](Cc2ccccc2)CC1 ZINC000409440031 342169724 /nfs/dbraw/zinc/16/97/24/342169724.db2.gz JJFGWLMVUUVFNF-IRXDYDNUSA-N 2 0 273.424 1.945 10 0 CDAERP C[C@@H]1CC[C@H](NC2CC[NH+](Cc3ccccn3)CC2)C[NH2+]1 ZINC000629395910 361913050 /nfs/dbraw/zinc/91/30/50/361913050.db2.gz HMQKENHNWQTHSN-ZBFHGGJFSA-N 2 0 288.439 1.776 10 0 CDAERP CC(C)OC(=O)CC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000593728651 342830070 /nfs/dbraw/zinc/83/00/70/342830070.db2.gz BETUIXUNPSVZAE-RRFJBIMHSA-N 2 0 298.427 1.689 10 0 CDAERP COc1ccc(C[NH2+]CCOCCC[NH3+])c(Cl)c1 ZINC000629397725 361929086 /nfs/dbraw/zinc/92/90/86/361929086.db2.gz BTRUEIWLXANVGJ-UHFFFAOYSA-N 2 0 272.776 1.804 10 0 CDAERP CCN(CC[NH3+])C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000625864877 342226704 /nfs/dbraw/zinc/22/67/04/342226704.db2.gz PDAVAOQJWJDMCO-UHFFFAOYSA-N 2 0 274.328 1.080 10 0 CDAERP CC1(C)CC([C@@](O)(C[NH3+])C(F)(F)F)CC(C)(C)[NH2+]1 ZINC000675054569 539071584 /nfs/dbraw/zinc/07/15/84/539071584.db2.gz VZDWYHCEHCJMAW-NSHDSACASA-N 2 0 268.323 1.795 10 0 CDAERP COC(=O)c1csc([C@H](C)[NH2+]CCOCCC[NH3+])c1 ZINC000600709358 342243449 /nfs/dbraw/zinc/24/34/49/342243449.db2.gz JSVWWZWWXFWMSC-JTQLQIEISA-N 2 0 286.397 1.551 10 0 CDAERP C[NH+](C)C1(CNC(=O)[C@@H]2CCC[C@H]2[NH3+])CCCC1 ZINC000125648394 187194266 /nfs/dbraw/zinc/19/42/66/187194266.db2.gz RZVIURZGWIIONI-VXGBXAGGSA-N 2 0 253.390 1.104 10 0 CDAERP C[C@H]1C[C@@H](N(C)C(=O)C2CC[NH+](C3CC3)CC2)CC[N@@H+]1C ZINC000192596766 539156881 /nfs/dbraw/zinc/15/68/81/539156881.db2.gz DOQZUFHPUQLMNM-BBRMVZONSA-N 2 0 293.455 1.802 10 0 CDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)CCc1c[nH]cn1 ZINC000189491005 539152575 /nfs/dbraw/zinc/15/25/75/539152575.db2.gz IZTRTSBPNMBYQV-CYBMUJFWSA-N 2 0 266.389 1.435 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000594935006 342976655 /nfs/dbraw/zinc/97/66/55/342976655.db2.gz MFRKYVSUPCYRJR-CYZMBNFOSA-N 2 0 252.358 1.036 10 0 CDAERP CC[NH+]1CCN(CCC[NH2+][C@H](C)CSCCF)CC1 ZINC000595007826 342989694 /nfs/dbraw/zinc/98/96/94/342989694.db2.gz PKPHTAUERPLJGP-CQSZACIVSA-N 2 0 291.480 1.695 10 0 CDAERP CSC1(C[NH2+]Cc2cnn3c2CCC3)CC[NH+](C)CC1 ZINC000594944434 342980213 /nfs/dbraw/zinc/98/02/13/342980213.db2.gz PXSVEOVXSVQPLL-UHFFFAOYSA-N 2 0 294.468 1.746 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000594944674 342980456 /nfs/dbraw/zinc/98/04/56/342980456.db2.gz UQRPQZJNQUMHBX-YNEHKIRRSA-N 2 0 268.401 1.506 10 0 CDAERP CC[C@@H]1C[C@H](C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)CCO1 ZINC000441356875 362006602 /nfs/dbraw/zinc/00/66/02/362006602.db2.gz RNEPMCUHKJJRMW-HZPDHXFCSA-N 2 0 297.487 1.807 10 0 CDAERP COC(=O)C1(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)CC1 ZINC000450505549 362061543 /nfs/dbraw/zinc/06/15/43/362061543.db2.gz ZCFDXJRILXTUPQ-STQMWFEESA-N 2 0 266.385 1.356 10 0 CDAERP COc1cncc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)n1 ZINC000629512352 362124079 /nfs/dbraw/zinc/12/40/79/362124079.db2.gz RGIVZAZWDWSNOD-SNVBAGLBSA-N 2 0 250.346 1.044 10 0 CDAERP CC(C)[C@@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[NH+](C)C ZINC000080715755 342359533 /nfs/dbraw/zinc/35/95/33/342359533.db2.gz NFBVFNHJKASQSK-DKUMPPAJSA-N 2 0 281.444 1.704 10 0 CDAERP Cc1ncsc1C[N@@H+]1C[C@@H](CO)C2(C1)CC[NH2+]CC2 ZINC000169789465 362141739 /nfs/dbraw/zinc/14/17/39/362141739.db2.gz XYBXUJUBIQPALB-LBPRGKRZSA-N 2 0 281.425 1.245 10 0 CDAERP COC(=O)COc1ccc(C[NH2+]CC[C@@H]([NH3+])C(C)C)cc1 ZINC000596110840 343229921 /nfs/dbraw/zinc/22/99/21/343229921.db2.gz UWYANFRXDYCTDM-OAHLLOKOSA-N 2 0 294.395 1.701 10 0 CDAERP CC(C)O[C@@H]1C[C@@H]([NH2+]CC2([NH3+])CCOCC2)C1(C)C ZINC000629524105 362144427 /nfs/dbraw/zinc/14/44/27/362144427.db2.gz LMVRRKSSWBYPNV-CHWSQXEVSA-N 2 0 270.417 1.676 10 0 CDAERP C[C@H](CO)[C@H](C)[NH2+]Cc1ccc(-n2ccnc2)nc1 ZINC000084664337 342380398 /nfs/dbraw/zinc/38/03/98/342380398.db2.gz TXNQSVYCOHLLQC-NEPJUHHUSA-N 2 0 260.341 1.374 10 0 CDAERP C(CN1CCCC[C@H]1[C@@H]1CCC[NH2+]1)OC1CCOCC1 ZINC000629533525 362171125 /nfs/dbraw/zinc/17/11/25/362171125.db2.gz GGDTVCQIBNAAHH-HOTGVXAUSA-N 2 0 282.428 1.789 10 0 CDAERP C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000334949061 290685903 /nfs/dbraw/zinc/68/59/03/290685903.db2.gz COVJQMXGHCAKNG-QWHCGFSZSA-N 2 0 267.417 1.223 10 0 CDAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000598995466 343936467 /nfs/dbraw/zinc/93/64/67/343936467.db2.gz YCZCWUCSQFYZEH-IGQOVBAYSA-N 2 0 268.401 1.506 10 0 CDAERP CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000598966706 343930881 /nfs/dbraw/zinc/93/08/81/343930881.db2.gz ZBLZEFMEIOMUDM-QJPTWQEYSA-N 2 0 260.447 1.561 10 0 CDAERP CCN(CC)C(=O)CN1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000316208327 362292153 /nfs/dbraw/zinc/29/21/53/362292153.db2.gz XTWSWKPZLHQHDS-XQQFMLRXSA-N 2 0 255.406 1.303 10 0 CDAERP Cc1cc(C)n2c(CN3CC[C@H]([NH3+])C[C@H]3C)cnc2n1 ZINC000574998941 362313876 /nfs/dbraw/zinc/31/38/76/362313876.db2.gz COAHTXLCIUHLHB-YPMHNXCESA-N 2 0 273.384 1.658 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C[C@H]1CCC[NH2+]C1 ZINC000251873883 344059588 /nfs/dbraw/zinc/05/95/88/344059588.db2.gz UGHUMTJETBVZBM-KFWWJZLASA-N 2 0 279.428 1.461 10 0 CDAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000623066037 344384666 /nfs/dbraw/zinc/38/46/66/344384666.db2.gz XZIHMXWRPDILLF-IUODEOHRSA-N 2 0 290.411 1.868 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000070552017 344829529 /nfs/dbraw/zinc/82/95/29/344829529.db2.gz RJAFPQQHNPWBSW-JKSUJKDBSA-N 2 0 287.407 1.544 10 0 CDAERP C[C@H](C[NH+]1CCCC1)NC(=O)CC1([NH3+])CCCC1 ZINC000084185043 178818895 /nfs/dbraw/zinc/81/88/95/178818895.db2.gz IOZUSSPFZZPBHW-GFCCVEGCSA-N 2 0 253.390 1.249 10 0 CDAERP CCN(C(=O)[C@H](C)Cc1c[nH]cn1)[C@@H]1CC[N@H+](C)C1 ZINC000617561646 345856227 /nfs/dbraw/zinc/85/62/27/345856227.db2.gz PQTTUICAYRJLEK-DGCLKSJQSA-N 2 0 264.373 1.141 10 0 CDAERP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)N1CC[NH+](C)CC1 ZINC000623404171 346172113 /nfs/dbraw/zinc/17/21/13/346172113.db2.gz SCGAVIYNZHQRPS-HUUCEWRRSA-N 3 0 282.476 1.085 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCN2CCC[NH+](C)CC2)CC1(C)C ZINC000623405100 346182104 /nfs/dbraw/zinc/18/21/04/346182104.db2.gz YAVGXPFHDHOGEW-INIZCTEOSA-N 3 0 296.503 1.476 10 0 CDAERP CCC(CC)[N@H+](CCC[C@@](C)(O)C[NH3+])CCOC ZINC000085301549 179010671 /nfs/dbraw/zinc/01/06/71/179010671.db2.gz DIUBIYGSFRQZBE-CQSZACIVSA-N 2 0 260.422 1.613 10 0 CDAERP C[C@@](O)(C[NH3+])CCCN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000085303258 179010917 /nfs/dbraw/zinc/01/09/17/179010917.db2.gz YNMNYVZEVMSTGE-GJZGRUSLSA-N 2 0 269.433 1.037 10 0 CDAERP [NH3+][C@H]1CCCC[C@H]1C(=O)NCCC[NH+]1CCCCC1 ZINC000085358219 179031332 /nfs/dbraw/zinc/03/13/32/179031332.db2.gz MSNWCXORVIPNED-KGLIPLIRSA-N 2 0 267.417 1.496 10 0 CDAERP CC(C)(C)[NH+]1CCC(NC(=O)[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000085366317 179036928 /nfs/dbraw/zinc/03/69/28/179036928.db2.gz PTRWLWWFUGRGSB-STQMWFEESA-N 2 0 267.417 1.493 10 0 CDAERP C[N@H+]1[C@@H]2CC[C@H]1CC(CNC(=O)[C@@H]1CCC[C@@H]1[NH3+])C2 ZINC000085369641 179039817 /nfs/dbraw/zinc/03/98/17/179039817.db2.gz LRUUCEXLJFADFV-YUSLTOFOSA-N 2 0 265.401 1.103 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCCN2CCO)[C@H](C)C1 ZINC000449395400 362690534 /nfs/dbraw/zinc/69/05/34/362690534.db2.gz PUHJMDIBKXYWPV-OAGGEKHMSA-N 2 0 283.460 1.153 10 0 CDAERP CC[NH+](CC)CCN(CC(F)(F)F)C1CC[NH2+]CC1 ZINC000085402683 179052306 /nfs/dbraw/zinc/05/23/06/179052306.db2.gz XMLCZGROWPAFLR-UHFFFAOYSA-N 2 0 281.366 1.945 10 0 CDAERP COc1nccnc1C[NH2+]C(C)(C)CCC[NH+](C)C ZINC000449528292 362747345 /nfs/dbraw/zinc/74/73/45/362747345.db2.gz OLGKPDOYZJZINP-UHFFFAOYSA-N 2 0 266.389 1.695 10 0 CDAERP COCC[N@H+](C)CCn1c(CC(C)C)nc2c1CC[NH2+]C2 ZINC000085571109 179096523 /nfs/dbraw/zinc/09/65/23/179096523.db2.gz ABRJAYYUWMJFDI-UHFFFAOYSA-N 2 0 294.443 1.306 10 0 CDAERP [NH3+]CCc1ccccc1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000226883050 346523957 /nfs/dbraw/zinc/52/39/57/346523957.db2.gz RJAFPQQHNPWBSW-CVEARBPZSA-N 2 0 287.407 1.544 10 0 CDAERP C[C@H](C[NH2+]CC1(O)CC[NH+](C)CC1)Cc1ccccc1 ZINC000274865889 365834919 /nfs/dbraw/zinc/83/49/19/365834919.db2.gz UDZJWHZRCDLHHX-HNNXBMFYSA-N 2 0 276.424 1.912 10 0 CDAERP CC[C@]1(C)CN(C[C@@H]2CC[N@@H+](C(C)C)C2)CC[NH2+]1 ZINC000086146526 179238641 /nfs/dbraw/zinc/23/86/41/179238641.db2.gz BSQPOMFHMNFEAY-LSDHHAIUSA-N 2 0 253.434 1.791 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCO[C@@]3(CCOC3)C2)CC1(C)C ZINC000623481912 347437714 /nfs/dbraw/zinc/43/77/14/347437714.db2.gz ZNDUGUPKDZQYEQ-DZKIICNBSA-N 2 0 282.428 1.787 10 0 CDAERP CC(C)[C@H]1CN(C[C@@H]2CCCC[N@@H+]2C)[C@@H](C)C[NH2+]1 ZINC000086173758 179244669 /nfs/dbraw/zinc/24/46/69/179244669.db2.gz UKXFRORVGYYGFS-SOUVJXGZSA-N 2 0 253.434 1.789 10 0 CDAERP CC[C@H]1C[NH2+][C@@H](C(C)C)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086172096 179245039 /nfs/dbraw/zinc/24/50/39/179245039.db2.gz MBOYHUBKKBMNNG-RRFJBIMHSA-N 2 0 253.434 1.789 10 0 CDAERP CCCN1C[C@H](C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CC1=O ZINC000623552509 347628653 /nfs/dbraw/zinc/62/86/53/347628653.db2.gz ILMWBGCCNNLIHT-UONOGXRCSA-N 2 0 281.444 1.707 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)[C@@]2(O)CCOC2)CC1(C)C ZINC000623557344 347630525 /nfs/dbraw/zinc/63/05/25/347630525.db2.gz SSEIPXQHXZYPQN-XJKSGUPXSA-N 2 0 284.444 1.626 10 0 CDAERP COC[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C1CCOCC1 ZINC000623562862 347634452 /nfs/dbraw/zinc/63/44/52/347634452.db2.gz GDAYNOTUYNPTAE-CABCVRRESA-N 2 0 284.444 1.890 10 0 CDAERP CC(C)(C)[N@@H+]1CCCN(C(=O)NC/C=C\C[NH3+])CC1 ZINC000641865113 365950295 /nfs/dbraw/zinc/95/02/95/365950295.db2.gz PGLRMFAYIXCZCF-PLNGDYQASA-N 2 0 268.405 1.017 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000614963338 348286306 /nfs/dbraw/zinc/28/63/06/348286306.db2.gz FNJAHJPWPPJEGT-HUUCEWRRSA-N 2 0 293.455 1.804 10 0 CDAERP CC(C)[C@@H](C(=O)N1CCC2(C1)CC[NH+](C)CC2)[NH+](C)C ZINC000614962968 348287367 /nfs/dbraw/zinc/28/73/67/348287367.db2.gz DGKAPBAXVWHPOB-AWEZNQCLSA-N 2 0 281.444 1.517 10 0 CDAERP CC[C@@H](C(=O)N1CCC2(C1)CC[NH+](C)CC2)[NH+](C)C ZINC000614964370 348288112 /nfs/dbraw/zinc/28/81/12/348288112.db2.gz PQBPMCIJBMODMR-ZDUSSCGKSA-N 2 0 267.417 1.271 10 0 CDAERP [NH3+]CCCCCCC[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000104185644 185918756 /nfs/dbraw/zinc/91/87/56/185918756.db2.gz ZLSBKJKTFWAWLQ-HNNXBMFYSA-N 2 0 269.433 1.302 10 0 CDAERP CN(C(=O)C1CCC([NH3+])CC1)[C@H]1C[NH+]2CCC1CC2 ZINC000311912941 362929369 /nfs/dbraw/zinc/92/93/69/362929369.db2.gz SJWYZMOSGAAIDL-RUXDESIVSA-N 2 0 265.401 1.057 10 0 CDAERP C[N@@H+]1CCC[C@H]1CNC(=O)CC[C@H]1CCCC[NH+]1C ZINC000352159849 362937411 /nfs/dbraw/zinc/93/74/11/362937411.db2.gz CUCLOAMNZGGGOW-KGLIPLIRSA-N 2 0 267.417 1.461 10 0 CDAERP CC(C)n1ccc(C[C@H](C)[NH2+]CCCN2CC[NH2+]CC2)n1 ZINC000414777803 535091559 /nfs/dbraw/zinc/09/15/59/535091559.db2.gz HLHXENHWIJNVLV-HNNXBMFYSA-N 2 0 293.459 1.280 10 0 CDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000333167805 362950641 /nfs/dbraw/zinc/95/06/41/362950641.db2.gz HQHSFMMMLGFNJW-ZIAGYGMSSA-N 2 0 282.432 1.158 10 0 CDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccccn2)CC1 ZINC000105915436 186089764 /nfs/dbraw/zinc/08/97/64/186089764.db2.gz NEWHMBNQIRNDLP-CQSZACIVSA-N 2 0 277.412 1.606 10 0 CDAERP [NH3+]CCCOCC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000629539119 362956912 /nfs/dbraw/zinc/95/69/12/362956912.db2.gz OGYSRDCSANRBFZ-AWEZNQCLSA-N 2 0 252.333 1.768 10 0 CDAERP C[C@@H]1CC[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C[NH2+]1 ZINC000629540208 362959625 /nfs/dbraw/zinc/95/96/25/362959625.db2.gz OBABIDNSOCBIKJ-XLWJZTARSA-N 2 0 251.418 1.637 10 0 CDAERP CO[C@H]1C[C@H]([NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000623808167 351284111 /nfs/dbraw/zinc/28/41/11/351284111.db2.gz GHOSVJCOGIUZOG-CTYIDZIISA-N 2 0 272.352 1.843 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH2+]C(C)C)[C@@H](C)C1 ZINC000569744771 363023654 /nfs/dbraw/zinc/02/36/54/363023654.db2.gz LLLROFSVOMAVOK-STQMWFEESA-N 2 0 255.406 1.173 10 0 CDAERP Cn1cc([C@@H]2OCC[C@H]2[NH2+]C2CCC(C[NH3+])CC2)cn1 ZINC000333561365 363032776 /nfs/dbraw/zinc/03/27/76/363032776.db2.gz KZBACPLFYSFEBI-AXVKAWJUSA-N 2 0 278.400 1.357 10 0 CDAERP C[N@H+](CCOCC[NH3+])CCSc1ccc(F)cc1 ZINC000629581216 363043364 /nfs/dbraw/zinc/04/33/64/363043364.db2.gz RUEXQNJKAQGPKZ-UHFFFAOYSA-N 2 0 272.389 1.825 10 0 CDAERP CCO[C@H](C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1)C1CC1 ZINC000629592125 363078630 /nfs/dbraw/zinc/07/86/30/363078630.db2.gz PMQRDLSPEJXCCE-IAGOWNOFSA-N 2 0 296.455 1.892 10 0 CDAERP Cn1nccc1C1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261962764 303065186 /nfs/dbraw/zinc/06/51/86/303065186.db2.gz HMQHLNVULWDKOY-OAHLLOKOSA-N 2 0 262.401 1.599 10 0 CDAERP CC1(C)C[NH2+]CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000634763235 358466858 /nfs/dbraw/zinc/46/68/58/358466858.db2.gz RLPGCAIXNPDYPZ-ZDUSSCGKSA-N 2 0 286.379 1.842 10 0 CDAERP C[C@@H](CCCC[NH3+])NC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000417818148 295852160 /nfs/dbraw/zinc/85/21/60/295852160.db2.gz ALOILTDYOYMERK-NWDGAFQWSA-N 2 0 255.406 1.398 10 0 CDAERP COC[C@H](C)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629655828 363259568 /nfs/dbraw/zinc/25/95/68/363259568.db2.gz YVWPLYKMWVJOLI-OUAUKWLOSA-N 2 0 268.323 1.728 10 0 CDAERP C[NH+]1CCN(CCC[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)CC1 ZINC000337381411 282947652 /nfs/dbraw/zinc/94/76/52/282947652.db2.gz DPVARGAIHDGLOY-OAGGEKHMSA-N 2 0 265.445 1.792 10 0 CDAERP CC(C)[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000037041686 356320119 /nfs/dbraw/zinc/32/01/19/356320119.db2.gz OTQGFJRPWSIKHQ-KBMXLJTQSA-N 2 0 293.455 1.896 10 0 CDAERP O[C@@H](C[NH2+]CC1CC[NH+](C2CC2)CC1)C(F)(F)F ZINC000644633676 366278450 /nfs/dbraw/zinc/27/84/50/366278450.db2.gz SNVWGHLPXPLZGN-NSHDSACASA-N 2 0 266.307 1.374 10 0 CDAERP CN(Cc1ccccc1)C[C@@H](O)C[NH2+]CCCCF ZINC000644651746 366307102 /nfs/dbraw/zinc/30/71/02/366307102.db2.gz ONOWGNGCDOLVCD-HNNXBMFYSA-N 2 0 268.376 1.819 10 0 CDAERP C[C@H]1C[NH2+]CCN1C1CCC(C)([NH+]2CCOCC2)CC1 ZINC000725262927 538455204 /nfs/dbraw/zinc/45/52/04/538455204.db2.gz SZNCTARCHPLPNU-FHERZECASA-N 2 0 281.444 1.314 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000070576928 356900383 /nfs/dbraw/zinc/90/03/83/356900383.db2.gz PUGXQWSJFGCFNP-ZIAGYGMSSA-N 2 0 279.428 1.591 10 0 CDAERP CCCN1CC[NH+]([C@@H](C)CCC[NH2+]C2CC2)CC1 ZINC000052421975 357271257 /nfs/dbraw/zinc/27/12/57/357271257.db2.gz BEIYSQXZKXNNHT-AWEZNQCLSA-N 2 0 253.434 1.935 10 0 CDAERP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)C[C@@](C)(O)C2CC2)C1 ZINC000634702051 357375670 /nfs/dbraw/zinc/37/56/70/357375670.db2.gz ZXXOUEQAFRBCPK-DJIMGWMZSA-N 2 0 298.471 1.608 10 0 CDAERP NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000166657519 538844476 /nfs/dbraw/zinc/84/44/76/538844476.db2.gz WANOPBCDTWDHOZ-XJFOESAGSA-N 2 0 265.401 1.247 10 0 CDAERP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Cn1ccnc1 ZINC000558643826 357846696 /nfs/dbraw/zinc/84/66/96/357846696.db2.gz AYYGWSIAOIRJQW-CHWSQXEVSA-N 2 0 264.373 1.120 10 0 CDAERP C[C@@H]1CN(Cc2cccc(-n3cccn3)c2)C[C@H]1[NH3+] ZINC000261923331 359091066 /nfs/dbraw/zinc/09/10/66/359091066.db2.gz BWJOLTUWHPZOQH-IUODEOHRSA-N 2 0 256.353 1.651 10 0 CDAERP COc1cc(C)nc(C[NH2+]CC2=CC[N@H+](C)CC2)c1 ZINC000347607025 359252366 /nfs/dbraw/zinc/25/23/66/359252366.db2.gz AVJHBHGPSALVET-UHFFFAOYSA-N 2 0 261.369 1.750 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000347362111 359324836 /nfs/dbraw/zinc/32/48/36/359324836.db2.gz PZUMACVNSFFVOR-JKSUJKDBSA-N 2 0 293.455 1.994 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCOC[C@@H]2CCCO2)[C@@H]2CCC[C@H]21 ZINC000572468957 359566965 /nfs/dbraw/zinc/56/69/65/359566965.db2.gz YNEBFRCHJRIGDH-YHUYYLMFSA-N 2 0 282.428 1.644 10 0 CDAERP C[C@@H]1C[C@H](NC(=O)[C@H](C[NH3+])c2ccc(F)cc2)CC[NH2+]1 ZINC000580429402 359614428 /nfs/dbraw/zinc/61/44/28/359614428.db2.gz CEEWNJXHIAQLAX-LERXQTSPSA-N 2 0 279.359 1.125 10 0 CDAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000422922722 359677246 /nfs/dbraw/zinc/67/72/46/359677246.db2.gz UFBVOPVQNVBYQT-IBEHDNSVSA-N 2 0 293.455 1.896 10 0 CDAERP CC[NH+](CC)CCNC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000297328865 200150342 /nfs/dbraw/zinc/15/03/42/200150342.db2.gz HLKOWVMLPDEAOZ-UHFFFAOYSA-N 2 0 289.383 1.475 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCc1sccc1C ZINC000423017491 359744464 /nfs/dbraw/zinc/74/44/64/359744464.db2.gz OYBVIZCUBXPJIX-LBPRGKRZSA-N 2 0 256.415 1.943 10 0 CDAERP CN(C)C(=O)c1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)[nH]1 ZINC000335449136 360197220 /nfs/dbraw/zinc/19/72/20/360197220.db2.gz VTGFGUCPXYXURF-BETUJISGSA-N 2 0 290.411 1.148 10 0 CDAERP Cc1cccc(CCN2CC[C@@]3(CC[N@@H+](C)C3)C2)n1 ZINC000335364626 360161420 /nfs/dbraw/zinc/16/14/20/360161420.db2.gz CIFNGTPJMVCDSF-MRXNPFEDSA-N 2 0 259.397 1.960 10 0 CDAERP O=C(C[C@H]1CSCC[NH2+]1)Nc1ccc2c(c1)C[NH2+]C2 ZINC000335497613 360269194 /nfs/dbraw/zinc/26/91/94/360269194.db2.gz YQLARNJDHBHNIA-ZDUSSCGKSA-N 2 0 277.393 1.323 10 0 CDAERP [NH3+]C1(CN[C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CCCCCC1 ZINC000643498745 360361098 /nfs/dbraw/zinc/36/10/98/360361098.db2.gz PYQBTACRAWMQLE-CABCVRRESA-N 2 0 281.444 1.395 10 0 CDAERP OCCN1CCCC[C@H]1C[NH2+][C@@H]1CCCC12CC2 ZINC000514734690 360367145 /nfs/dbraw/zinc/36/71/45/360367145.db2.gz KMUNVQSEKOIZSR-UONOGXRCSA-N 2 0 252.402 1.756 10 0 CDAERP CC(C)[NH+]1CCC([NH2+]C[C@@H](CO)c2cccnc2)CC1 ZINC000348684922 360495734 /nfs/dbraw/zinc/49/57/34/360495734.db2.gz PXNYMRDNGAKWDO-HNNXBMFYSA-N 2 0 277.412 1.620 10 0 CDAERP C[C@@H]1CN(CC23CC(C2)C[NH2+]3)CC[N@@H+]1Cc1ccccc1 ZINC000634996477 360626434 /nfs/dbraw/zinc/62/64/34/360626434.db2.gz LARIBEKDRXYRMF-FAEJEUNOSA-N 2 0 285.435 1.945 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000626947066 360685294 /nfs/dbraw/zinc/68/52/94/360685294.db2.gz KKEHVPQSOXRVSD-APIJFGDWSA-N 2 0 296.459 1.547 10 0 CDAERP COC(=O)CCCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000348898684 360660980 /nfs/dbraw/zinc/66/09/80/360660980.db2.gz YXKGWRXCZDLLBW-ZIAGYGMSSA-N 2 0 268.401 1.936 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000252880012 296021361 /nfs/dbraw/zinc/02/13/61/296021361.db2.gz YCOAWVSTYTYANQ-XQHREUISSA-N 2 0 253.390 1.101 10 0 CDAERP [NH3+][C@@H]1CC[C@@H](C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000246499389 360867317 /nfs/dbraw/zinc/86/73/17/360867317.db2.gz PVKXXGBYGMAICN-BFHYXJOUSA-N 2 0 265.401 1.058 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@H](C[NH3+])C1CC1 ZINC000564726265 360899157 /nfs/dbraw/zinc/89/91/57/360899157.db2.gz MLTGZNQIWBVRRL-QWHCGFSZSA-N 2 0 253.390 1.104 10 0 CDAERP O=C1CN(Cc2ccc3c(c2)C[NH2+]CC3)CCN1C1CC1 ZINC000566351060 370690825 /nfs/dbraw/zinc/69/08/25/370690825.db2.gz IMXGUANSIYWKJU-UHFFFAOYSA-N 2 0 285.391 1.139 10 0 CDAERP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1conc1C ZINC000339293023 361431718 /nfs/dbraw/zinc/43/17/18/361431718.db2.gz CZOZIWJHTICJIK-ZDUSSCGKSA-N 2 0 255.362 1.429 10 0 CDAERP [NH3+][C@H]1CCCCCC[C@H]1C(=O)NCC[NH2+]C1CC1 ZINC000644083511 363800948 /nfs/dbraw/zinc/80/09/48/363800948.db2.gz MLHFIGKFRFRTOV-OLZOCXBDSA-N 2 0 253.390 1.152 10 0 CDAERP C[C@H]([NH3+])CCC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000248879205 364318121 /nfs/dbraw/zinc/31/81/21/364318121.db2.gz RUSIKORPRIIIPQ-AGIUHOORSA-N 2 0 255.406 1.350 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)[C@H](C)[NH3+])[C@@H](C)C1 ZINC000249119056 364495042 /nfs/dbraw/zinc/49/50/42/364495042.db2.gz WQYKZBVXKYKHPF-RNJOBUHISA-N 2 0 255.406 1.158 10 0 CDAERP CCC[C@H](C(=O)N1CC[C@H]([NH+](CC)CC)C1)[NH+](C)C ZINC000123303387 283775349 /nfs/dbraw/zinc/77/53/49/283775349.db2.gz QBMLEQHYSJQPRZ-UONOGXRCSA-N 2 0 269.433 1.659 10 0 CDAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000368436772 364540025 /nfs/dbraw/zinc/54/00/25/364540025.db2.gz BJNYNZHETNCULF-APYLGABCSA-N 2 0 265.401 1.021 10 0 CDAERP O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262461136 296069397 /nfs/dbraw/zinc/06/93/97/296069397.db2.gz VXWHVBFINFOLML-ZQNQSHIBSA-N 2 0 277.412 1.260 10 0 CDAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H]1CC[NH+](C)[C@@H]2CCC[C@H]21 ZINC000353391606 365179133 /nfs/dbraw/zinc/17/91/33/365179133.db2.gz DDGQAYWEHKUTTM-LMLQULGWSA-N 2 0 277.456 1.932 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CCC(=O)NCC[NH+]1CCSCC1 ZINC000353451813 365218238 /nfs/dbraw/zinc/21/82/38/365218238.db2.gz VCZVJLAYLZJINP-AWEZNQCLSA-N 2 0 299.484 1.416 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCCN2CCCCC2=O)[C@H]2CCC[C@@H]21 ZINC000353500054 365259081 /nfs/dbraw/zinc/25/90/81/365259081.db2.gz VXSZRCZAJNAKJN-PMPSAXMXSA-N 2 0 293.455 1.851 10 0 CDAERP C[C@H]([NH2+]CCc1ccc2c(c1)OCCO2)[C@H]1CC[NH2+]C1 ZINC000400353487 366950754 /nfs/dbraw/zinc/95/07/54/366950754.db2.gz AITVYUDRDRXATC-JSGCOSHPSA-N 2 0 276.380 1.588 10 0 CDAERP CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](CCC[NH3+])C1 ZINC000414747793 241363689 /nfs/dbraw/zinc/36/36/89/241363689.db2.gz SULOIOOYJNGEAH-LLVKDONJSA-N 2 0 295.349 1.458 10 0 CDAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000414789712 241386949 /nfs/dbraw/zinc/38/69/49/241386949.db2.gz YNYCZCWSVHFTAF-WMLDXEAASA-N 2 0 297.406 1.760 10 0 CDAERP C[C@@H]1C[C@@H](C[N@@H+]2CCCN(c3cccnn3)CC2)CC[NH2+]1 ZINC000414694271 241331194 /nfs/dbraw/zinc/33/11/94/241331194.db2.gz NANFNIFYSUOEAC-CABCVRRESA-N 2 0 289.427 1.377 10 0 CDAERP CCOC(=O)C1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000414834592 367100457 /nfs/dbraw/zinc/10/04/57/367100457.db2.gz SVCHYDDUMMMGTN-QRFUTXMCSA-N 2 0 280.412 1.981 10 0 CDAERP CCN(CC[NH3+])C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000627001578 367223827 /nfs/dbraw/zinc/22/38/27/367223827.db2.gz JEIYMBGNLPMYMG-UHFFFAOYSA-N 2 0 270.421 1.097 10 0 CDAERP CCCC[C@H](C[NH3+])NC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627079855 367377157 /nfs/dbraw/zinc/37/71/57/367377157.db2.gz KVVMALNJPCJZIY-VXGBXAGGSA-N 2 0 268.405 1.088 10 0 CDAERP C[C@@H]1CC[C@H](NC(=O)NC[C@H]([NH3+])c2ccccc2)C[NH2+]1 ZINC000627078750 367376591 /nfs/dbraw/zinc/37/65/91/367376591.db2.gz ULECKWNKEYEPRM-XBFCOCLRSA-N 2 0 276.384 1.126 10 0 CDAERP CCC[N@@H+]1CC[C@@H](NC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000627116183 367479700 /nfs/dbraw/zinc/47/97/00/367479700.db2.gz GNCUNJYKZYWABX-BMFZPTHFSA-N 2 0 294.443 1.112 10 0 CDAERP CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627129628 367506012 /nfs/dbraw/zinc/50/60/12/367506012.db2.gz NKCWOKJJZVTPSK-CQSZACIVSA-N 2 0 296.459 1.644 10 0 CDAERP CN(CC[NH3+])C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000416869372 242198300 /nfs/dbraw/zinc/19/83/00/242198300.db2.gz GYVRMKIDQPMMEP-UHFFFAOYSA-N 2 0 290.411 1.383 10 0 CDAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCCC[NH3+])C1 ZINC000417215923 242359982 /nfs/dbraw/zinc/35/99/82/242359982.db2.gz ACCPLZCPSCJSHW-UKRRQHHQSA-N 2 0 290.411 1.470 10 0 CDAERP CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627208269 367706483 /nfs/dbraw/zinc/70/64/83/367706483.db2.gz UKDHDCHNIVHLFH-LSDHHAIUSA-N 2 0 296.459 1.644 10 0 CDAERP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)[C@@H](C)C1CCCCC1 ZINC000567102471 370879771 /nfs/dbraw/zinc/87/97/71/370879771.db2.gz CEVIDQLJTINLGU-ZIAGYGMSSA-N 2 0 281.444 1.613 10 0 CDAERP CC[NH+]1CCC(CCNC(=O)N2CC[C@H]([NH2+]C)C2)CC1 ZINC000417750373 242640417 /nfs/dbraw/zinc/64/04/17/242640417.db2.gz NDPSIVRWSCDDIB-AWEZNQCLSA-N 2 0 282.432 1.112 10 0 CDAERP C[C@H]([NH2+][C@@H]1CCC[C@H]1C[NH3+])c1ccc(S(N)(=O)=O)cc1 ZINC000252678365 299381824 /nfs/dbraw/zinc/38/18/24/299381824.db2.gz HHSDUIJNDBSAGQ-VHRBIJSZSA-N 2 0 297.424 1.112 10 0 CDAERP CN(CCC(=O)N1CC[N@H+](C)CC1(C)C)c1cc[nH+]cc1 ZINC000543714689 368956137 /nfs/dbraw/zinc/95/61/37/368956137.db2.gz AJQHNWNMSJFWTQ-UHFFFAOYSA-N 2 0 290.411 1.461 10 0 CDAERP C[N@H+]1C[C@@H]2C[NH+](CC[C@@H](O)c3ccccc3)C[C@@H]2C1 ZINC000367523440 369175770 /nfs/dbraw/zinc/17/57/70/369175770.db2.gz OVDNKTFESNGODE-OWCLPIDISA-N 2 0 260.381 1.604 10 0 CDAERP CC(C)=CC[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001661366103 1172378471 /nfs/dbraw/zinc/37/84/71/1172378471.db2.gz PUWSLKNUUSIXED-CABCVRRESA-N 2 0 279.428 1.485 10 0 CDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170829729 369499353 /nfs/dbraw/zinc/49/93/53/369499353.db2.gz OMLZQBGWBVGKSJ-ZIAGYGMSSA-N 2 0 282.432 1.206 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000567364446 370968440 /nfs/dbraw/zinc/96/84/40/370968440.db2.gz KGZYYKKYPHRSKM-AWEZNQCLSA-N 2 0 293.455 1.851 10 0 CDAERP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H](CCOC)C1 ZINC000565162319 370363433 /nfs/dbraw/zinc/36/34/33/370363433.db2.gz HUAWXOVNNXSFKJ-LSDHHAIUSA-N 2 0 272.433 1.438 10 0 CDAERP C[NH+](C)CCC1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000121062413 370482261 /nfs/dbraw/zinc/48/22/61/370482261.db2.gz HJDXSFWYFTYRRG-LLVKDONJSA-N 2 0 268.323 1.573 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCN(c2ccccc2)C1=O ZINC000422698473 245156304 /nfs/dbraw/zinc/15/63/04/245156304.db2.gz ZLNUJZGAFZOQFJ-OBJOEFQTSA-N 2 0 261.369 1.507 10 0 CDAERP C[C@@H](C[C@H]1COCC[NH2+]1)NCC[N@H+](C)C1CCCCC1 ZINC000422698760 245156339 /nfs/dbraw/zinc/15/63/39/245156339.db2.gz AWFRXPCDCQRTQF-GJZGRUSLSA-N 2 0 283.460 1.608 10 0 CDAERP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CCN(c2ccccc2)C1=O ZINC000422698474 245156404 /nfs/dbraw/zinc/15/64/04/245156404.db2.gz ZLNUJZGAFZOQFJ-OUCADQQQSA-N 2 0 261.369 1.507 10 0 CDAERP [NH3+]C[C@H]1CC[C@H](Cn2cc3c(n2)[C@@H]([NH3+])CCC3)CC1 ZINC000566103408 370610007 /nfs/dbraw/zinc/61/00/07/370610007.db2.gz MSANIRFHQYBOQW-OBJOEFQTSA-N 2 0 262.401 1.984 10 0 CDAERP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCCN1CCCC1=O ZINC000422774907 245241061 /nfs/dbraw/zinc/24/10/61/245241061.db2.gz YXGROJCVHNKUEY-QWHCGFSZSA-N 2 0 253.390 1.106 10 0 CDAERP COCC1(C[NH2+]Cc2cnccc2C)CC[NH2+]CC1 ZINC000414970843 371128882 /nfs/dbraw/zinc/12/88/82/371128882.db2.gz HZCXDJOISBLUJL-UHFFFAOYSA-N 2 0 263.385 1.496 10 0 CDAERP CCC[C@](C)([NH3+])C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000662686391 541858057 /nfs/dbraw/zinc/85/80/57/541858057.db2.gz DZNZWPAXAAKVLI-ZBFHGGJFSA-N 2 0 291.395 1.804 10 0 CDAERP CC(C)n1nccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000335254668 371789146 /nfs/dbraw/zinc/78/91/46/371789146.db2.gz GUPYVSDFFQDWIH-OKILXGFUSA-N 2 0 262.401 1.895 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)C1 ZINC000578025587 372230333 /nfs/dbraw/zinc/23/03/33/372230333.db2.gz XTJVQSBFIDILTB-KBPBESRZSA-N 2 0 281.444 1.565 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000578357148 372421333 /nfs/dbraw/zinc/42/13/33/372421333.db2.gz XYTVHYNGKCFBOX-MNOVXSKESA-N 2 0 277.359 1.350 10 0 CDAERP C[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)[C@H]1CCC[NH2+]C1 ZINC000643460338 372435286 /nfs/dbraw/zinc/43/52/86/372435286.db2.gz RJBGEAYDJJWQEZ-XQLPTFJDSA-N 2 0 253.434 1.837 10 0 CDAERP [NH3+]CC12CCC(CC1)CN2C(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000581436490 373011186 /nfs/dbraw/zinc/01/11/86/373011186.db2.gz NBODWKPZLQBXEW-MNQCNDSGSA-N 2 0 299.418 1.603 10 0 CDAERP C[C@@H]([NH3+])C1CC[NH+]([C@H]2CCN(C3CCC3)C2=O)CC1 ZINC000631820995 373698845 /nfs/dbraw/zinc/69/88/45/373698845.db2.gz MFVRAAPOKIVKAE-RISCZKNCSA-N 2 0 265.401 1.199 10 0 CDAERP C[C@H](C(=O)N1CCCCCC1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631841513 373832947 /nfs/dbraw/zinc/83/29/47/373832947.db2.gz LLBPPLOPFLAUAU-MGPQQGTHSA-N 2 0 267.417 1.304 10 0 CDAERP Cn1ccnc1C[C@@H]1CCC[N@H+](CCCS(C)(=O)=O)C1 ZINC000119990242 374207114 /nfs/dbraw/zinc/20/71/14/374207114.db2.gz MJIMDZWPZGQXJA-ZDUSSCGKSA-N 2 0 299.440 1.109 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]Cc1c(C)cc(C)nc1OC ZINC000643472557 374246691 /nfs/dbraw/zinc/24/66/91/374246691.db2.gz QXGKVMOLCFUVRQ-ZDUSSCGKSA-N 2 0 281.400 1.551 10 0 CDAERP C[C@@H](CC[NH3+])NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000418516097 374400673 /nfs/dbraw/zinc/40/06/73/374400673.db2.gz CHFVYXPHUAGYLP-KBPBESRZSA-N 2 0 282.432 1.384 10 0 CDAERP C[C@H]([NH3+])[C@H](C)NC(=O)NCC[NH2+]C1CCCCCC1 ZINC000418436719 374384478 /nfs/dbraw/zinc/38/44/78/374384478.db2.gz CLHZJQXCTQYVIG-RYUDHWBXSA-N 2 0 270.421 1.334 10 0 CDAERP CC[NH+](CC)CC1CCN(C(=O)N[C@H](C)[C@H](C)[NH3+])CC1 ZINC000418689832 374478875 /nfs/dbraw/zinc/47/88/75/374478875.db2.gz CGLGUICSJRUQBY-QWHCGFSZSA-N 2 0 284.448 1.486 10 0 CDAERP CC(C)N1CCC[C@H](N2CCC[C@H]3C[NH2+]CC[C@H]32)C1=O ZINC000631887939 374499774 /nfs/dbraw/zinc/49/97/74/374499774.db2.gz RORFVEOCHYBAEP-ZNMIVQPWSA-N 2 0 279.428 1.460 10 0 CDAERP Cc1cc(NC[C@@H]2CN(C3CC3)CCO2)nc(C2CC2)n1 ZINC000116261792 374536735 /nfs/dbraw/zinc/53/67/35/374536735.db2.gz SQGUTROQSJQPPR-CQSZACIVSA-N 2 0 288.395 1.938 10 0 CDAERP COc1cncc(C[NH2+]CCCC[NH+]2CCOCC2)c1C ZINC000631042280 374640395 /nfs/dbraw/zinc/64/03/95/374640395.db2.gz IHUAJLPQQVIXIA-UHFFFAOYSA-N 2 0 293.411 1.601 10 0 CDAERP Cc1cc(C)n2c(CN3CC[C@H](C[NH+](C)C)C3)cnc2n1 ZINC000125506802 374942172 /nfs/dbraw/zinc/94/21/72/374942172.db2.gz SBIQXNNMQBHYCZ-CQSZACIVSA-N 2 0 287.411 1.730 10 0 CDAERP CN(CC[NH+](C)C)C(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000416172295 375580719 /nfs/dbraw/zinc/58/07/19/375580719.db2.gz VTNLBMGPENXJJT-UHFFFAOYSA-N 2 0 289.423 1.455 10 0 CDAERP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCC[NH3+])C1 ZINC000417245146 375741534 /nfs/dbraw/zinc/74/15/34/375741534.db2.gz YLNXSFWMQXMUJK-LBPRGKRZSA-N 2 0 270.421 1.145 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1COc2cc(F)cc(F)c21 ZINC000643480643 376023737 /nfs/dbraw/zinc/02/37/37/376023737.db2.gz KKBZRHSKCSBEHV-JQWIXIFHSA-N 2 0 286.322 1.742 10 0 CDAERP CCC[NH+]1CCC(CNC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000417387090 376246420 /nfs/dbraw/zinc/24/64/20/376246420.db2.gz GYVZVWYYTZVDPV-LSDHHAIUSA-N 2 0 296.459 1.535 10 0 CDAERP CCC1([NH+](C)C)CCN(C(=O)[C@@H]([NH3+])CC(F)F)CC1 ZINC000638975762 376322878 /nfs/dbraw/zinc/32/28/78/376322878.db2.gz PLHILQCLMPZZFD-JTQLQIEISA-N 2 0 277.359 1.302 10 0 CDAERP CC[NH+]1CCC(CC[NH2+]C2CCN(C(N)=O)CC2)CC1 ZINC000344592437 376631902 /nfs/dbraw/zinc/63/19/02/376631902.db2.gz OIVGKBBUOIKGLR-UHFFFAOYSA-N 2 0 282.432 1.241 10 0 CDAERP C[C@@H](NC(=O)[C@@H](C)N1CC[C@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000631823945 376648907 /nfs/dbraw/zinc/64/89/07/376648907.db2.gz RDWXLLFSESROIP-NHIYQJMISA-N 2 0 289.423 1.921 10 0 CDAERP CCNC(=O)N1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)C1 ZINC000246379083 376649184 /nfs/dbraw/zinc/64/91/84/376649184.db2.gz JYRLAZGRXVQLQO-YIYPIFLZSA-N 2 0 282.432 1.109 10 0 CDAERP O=C1[C@@H]([NH+]2CCC([C@H]3CCC[NH2+]3)CC2)CCN1C1CCC1 ZINC000631827208 376660399 /nfs/dbraw/zinc/66/03/99/376660399.db2.gz IIWOBPFJPSFUDY-CVEARBPZSA-N 2 0 291.439 1.604 10 0 CDAERP COc1ccccc1OCC[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631836559 376684103 /nfs/dbraw/zinc/68/41/03/376684103.db2.gz BNZCJKQGQGDSQD-OLZOCXBDSA-N 2 0 264.369 1.601 10 0 CDAERP C(CN1CCC[C@@H]2C[NH2+]CC[C@@H]21)C[NH+]1CCCCC1 ZINC000631889434 376783892 /nfs/dbraw/zinc/78/38/92/376783892.db2.gz GGOXNPMNEKGQKG-CVEARBPZSA-N 2 0 265.445 1.936 10 0 CDAERP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)CC[N@@H+]1C ZINC000631951025 376843393 /nfs/dbraw/zinc/84/33/93/376843393.db2.gz WTHKZQDATPUJEP-QKPAOTATSA-N 2 0 293.455 1.659 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+]3CCCC[C@H]3C2)C1 ZINC000246476965 376873526 /nfs/dbraw/zinc/87/35/26/376873526.db2.gz REKWZWMYYWNNDP-GJZGRUSLSA-N 2 0 294.443 1.350 10 0 CDAERP C[C@@H]([NH3+])CCC(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000070314748 377031602 /nfs/dbraw/zinc/03/16/02/377031602.db2.gz YICUNUFRMJUXJO-CHWSQXEVSA-N 2 0 255.406 1.495 10 0 CDAERP C[N@@H+]1CCC[C@@H]2CN(CC(=O)NCc3ccco3)CC[C@H]21 ZINC000248009863 377193039 /nfs/dbraw/zinc/19/30/39/377193039.db2.gz LCYYLUVNMWPPLD-UKRRQHHQSA-N 2 0 291.395 1.312 10 0 CDAERP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000334647103 377199516 /nfs/dbraw/zinc/19/95/16/377199516.db2.gz SAMCESHHUMXPER-SJORKVTESA-N 2 0 299.418 1.716 10 0 CDAERP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H](C)[NH2+]C(C)C ZINC001662233589 1172512491 /nfs/dbraw/zinc/51/24/91/1172512491.db2.gz BBAKPNCXZVUXRS-NEPJUHHUSA-N 2 0 261.385 1.169 10 0 CDAERP C[C@H]([NH3+])C[C@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC000571923057 377593460 /nfs/dbraw/zinc/59/34/60/377593460.db2.gz JTEDVZLUOGWNAX-UWVGGRQHSA-N 2 0 250.346 1.003 10 0 CDAERP CC(C)=CC[NH2+][C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001662244678 1172515939 /nfs/dbraw/zinc/51/59/39/1172515939.db2.gz QOYZVVZQJSLELZ-CABCVRRESA-N 2 0 281.444 1.921 10 0 CDAERP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCC1([NH3+])CCCCCC1 ZINC000334937076 377708336 /nfs/dbraw/zinc/70/83/36/377708336.db2.gz SJHDYKVBTOYHJT-STQMWFEESA-N 2 0 282.432 1.417 10 0 CDAERP COC1(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)CCCC1 ZINC000657572598 412904886 /nfs/dbraw/zinc/90/48/86/412904886.db2.gz CGLVLVCJSIMSFG-HNNXBMFYSA-N 2 0 285.476 1.807 10 0 CDAERP Cc1cnn(C)c1C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000657574084 412906310 /nfs/dbraw/zinc/90/63/10/412906310.db2.gz ZFKVEQWRFAXRBX-AWEZNQCLSA-N 2 0 281.448 1.090 10 0 CDAERP CCN(C(=O)N[C@H](C)CC[NH+](C)C)[C@@H]1CC[N@H+](C)C1 ZINC000663850285 412912584 /nfs/dbraw/zinc/91/25/84/412912584.db2.gz REKLIDLMANSEHV-CHWSQXEVSA-N 2 0 270.421 1.062 10 0 CDAERP CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655926295 412945669 /nfs/dbraw/zinc/94/56/69/412945669.db2.gz DJWGZKHFNQIWIF-UWVGGRQHSA-N 2 0 298.353 1.296 10 0 CDAERP CC(C)C[C@H](C[NH3+])CC(=O)NCCCC[NH+]1CCOCC1 ZINC000662386554 412947034 /nfs/dbraw/zinc/94/70/34/412947034.db2.gz JYQCFKIIKSNDIV-HNNXBMFYSA-N 2 0 299.459 1.226 10 0 CDAERP CC[NH+](CC)CC1CC[NH+](CC2(C(=O)OC)CC2)CC1 ZINC000450263995 251199972 /nfs/dbraw/zinc/19/99/72/251199972.db2.gz SBBRWFJDUNKECK-UHFFFAOYSA-N 2 0 282.428 1.993 10 0 CDAERP CC(C)[C@H](CNC(=O)C[NH2+]C1CCCC1)[NH+](C)C ZINC000040825700 184549686 /nfs/dbraw/zinc/54/96/86/184549686.db2.gz WNVXZHCKJHDDQG-ZDUSSCGKSA-N 2 0 255.406 1.221 10 0 CDAERP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000041680071 184550688 /nfs/dbraw/zinc/55/06/88/184550688.db2.gz SDPBUOCWROHAAL-QPSCCSFWSA-N 2 0 281.444 1.754 10 0 CDAERP O=C(N1CCC([NH2+]CC2CC2)CC1)C1([NH2+]C2CC2)CCC1 ZINC000662420475 412995415 /nfs/dbraw/zinc/99/54/15/412995415.db2.gz APOFMPQGFGZACH-UHFFFAOYSA-N 2 0 291.439 1.652 10 0 CDAERP COCCn1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cn1 ZINC000375812454 285191861 /nfs/dbraw/zinc/19/18/61/285191861.db2.gz XTFUHAULCAMCQT-ARFHVFGLSA-N 2 0 292.427 1.492 10 0 CDAERP C[NH+](C)CC1(C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)CCCCC1 ZINC000646943567 390304511 /nfs/dbraw/zinc/30/45/11/390304511.db2.gz KFFXCWPLFKFRAY-GJZGRUSLSA-N 2 0 293.455 1.661 10 0 CDAERP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@@H]([NH3+])CC(C)C ZINC000394350242 390870809 /nfs/dbraw/zinc/87/08/09/390870809.db2.gz MLWUVAFYEDOZKP-ZNMIVQPWSA-N 2 0 253.434 1.918 10 0 CDAERP CCC[NH+]1CCC(C[NH2+]Cc2cncnc2OC)CC1 ZINC000647179951 390825503 /nfs/dbraw/zinc/82/55/03/390825503.db2.gz XFCKQBPJHDOMMP-UHFFFAOYSA-N 2 0 278.400 1.697 10 0 CDAERP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000237520034 390846015 /nfs/dbraw/zinc/84/60/15/390846015.db2.gz SQMDADBHARKXLC-XPABHHOTSA-N 2 0 281.444 1.596 10 0 CDAERP [NH3+]Cc1ccc(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000648181059 390941309 /nfs/dbraw/zinc/94/13/09/390941309.db2.gz YBFONCCJWBVWTK-AWEZNQCLSA-N 2 0 273.380 1.550 10 0 CDAERP C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(CO)c(F)c2)CC[NH2+]1 ZINC000415092565 391014654 /nfs/dbraw/zinc/01/46/54/391014654.db2.gz TUYJVVRJKIIQGJ-YPMHNXCESA-N 2 0 266.360 1.796 10 0 CDAERP COc1ccc(OCC[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000415093576 391016351 /nfs/dbraw/zinc/01/63/51/391016351.db2.gz VTSSSVMDPCYVID-CHWSQXEVSA-N 2 0 264.369 1.662 10 0 CDAERP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)[C@@H]1C[C@H]1C1CC1 ZINC000527645406 391076812 /nfs/dbraw/zinc/07/68/12/391076812.db2.gz NJGDGMHGYDGCJJ-ATGSNQNLSA-N 2 0 252.402 1.467 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH2+]CC2(O)Cc3ccccc3C2)[C@H](C)C1 ZINC000370620794 391092715 /nfs/dbraw/zinc/09/27/15/391092715.db2.gz XSISVFSFXPEXRH-RHSMWYFYSA-N 2 0 288.435 1.836 10 0 CDAERP C(CN1CC[NH2+]CC1)[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000414862794 533359436 /nfs/dbraw/zinc/35/94/36/533359436.db2.gz HYTABYWILVBOJU-HUUCEWRRSA-N 2 0 251.418 1.450 10 0 CDAERP OCCCOC1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000647889328 391161345 /nfs/dbraw/zinc/16/13/45/391161345.db2.gz HSIQULPTZAMKNG-UHFFFAOYSA-N 2 0 284.444 1.630 10 0 CDAERP C[NH2+]C(C)(C)CNC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415889061 391225278 /nfs/dbraw/zinc/22/52/78/391225278.db2.gz AYCHMSCIMXDMRJ-UHFFFAOYSA-N 2 0 276.384 1.452 10 0 CDAERP C[C@@]1(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)CCCS1 ZINC000647909947 391257294 /nfs/dbraw/zinc/25/72/94/391257294.db2.gz WENCFWZFAKSTJR-INIZCTEOSA-N 2 0 297.512 1.986 10 0 CDAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000417322243 391350867 /nfs/dbraw/zinc/35/08/67/391350867.db2.gz FKSVFJDVXPFOKK-CBBWQLFWSA-N 2 0 296.459 1.404 10 0 CDAERP C[NH+](C)C1(CNC(=O)NC[C@H]([NH3+])c2ccccc2)CCC1 ZINC000418059112 391373664 /nfs/dbraw/zinc/37/36/64/391373664.db2.gz MKZOAPQNYGWTQW-AWEZNQCLSA-N 2 0 290.411 1.470 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(C3CC3)C2)[C@@H]2CCC[C@@H]21 ZINC000353497017 391393475 /nfs/dbraw/zinc/39/34/75/391393475.db2.gz NSLSFUDCGIVWAQ-OEAJRASXSA-N 2 0 263.429 1.686 10 0 CDAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000417850883 391509487 /nfs/dbraw/zinc/50/94/87/391509487.db2.gz XYRLFSJDLKWPCX-FPMFFAJLSA-N 2 0 275.396 1.661 10 0 CDAERP CN(C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000418412254 391510235 /nfs/dbraw/zinc/51/02/35/391510235.db2.gz PWZMYCRWWVQBAR-BPLDGKMQSA-N 2 0 294.443 1.382 10 0 CDAERP CC(C)[C@H]([NH3+])CNC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000417532713 391639977 /nfs/dbraw/zinc/63/99/77/391639977.db2.gz LPAFORUUNCGCMB-HZSPNIEDSA-N 2 0 284.448 1.532 10 0 CDAERP OCC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC2(CCC2)C1 ZINC000647795632 391642230 /nfs/dbraw/zinc/64/22/30/391642230.db2.gz RZJOLCGSSHLNDP-QLFBSQMISA-N 2 0 278.440 1.907 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH2+]C2)C[C@H]1C ZINC000519764890 391706601 /nfs/dbraw/zinc/70/66/01/391706601.db2.gz DPXXLWJSQNMLFD-MGPQQGTHSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@H](C)CC(=O)Nc1ccc(F)cc1 ZINC000415007255 391711195 /nfs/dbraw/zinc/71/11/95/391711195.db2.gz CLVUPJISDLEHCI-GMTAPVOTSA-N 2 0 267.348 1.868 10 0 CDAERP CCn1cc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)cn1 ZINC000415061568 391740131 /nfs/dbraw/zinc/74/01/31/391740131.db2.gz YQABBJAAQHSRHY-UHFFFAOYSA-N 2 0 291.443 1.209 10 0 CDAERP CCc1noc(C2CCC([NH2+][C@H](C)[C@H](C)[NH3+])CC2)n1 ZINC000415015414 391724025 /nfs/dbraw/zinc/72/40/25/391724025.db2.gz MZTIFQDRZXIRMF-DMOGRIERSA-N 2 0 266.389 1.984 10 0 CDAERP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCCSCC2)CC1 ZINC000657835227 413050563 /nfs/dbraw/zinc/05/05/63/413050563.db2.gz DODFCCHUJUQBJI-LSDHHAIUSA-N 2 0 285.501 1.888 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2CCO)[C@H]2CCC[C@@H]21 ZINC000353675642 130248603 /nfs/dbraw/zinc/24/86/03/130248603.db2.gz VUENAQFIPXTQOU-SUJAAXHWSA-N 2 0 266.429 2.000 10 0 CDAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000418197013 391797296 /nfs/dbraw/zinc/79/72/96/391797296.db2.gz IPXAFBGCLVRUCL-UKRRQHHQSA-N 2 0 296.459 1.643 10 0 CDAERP [NH3+]CC1CCC([NH2+][C@H]2CCCN(c3ncccn3)C2)CC1 ZINC000333250521 391861020 /nfs/dbraw/zinc/86/10/20/391861020.db2.gz GSPUNMCGRBCTHO-NRXISQOPSA-N 2 0 289.427 1.553 10 0 CDAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000649303122 391948492 /nfs/dbraw/zinc/94/84/92/391948492.db2.gz YFCPDWLUVHXZQM-GJZGRUSLSA-N 2 0 289.423 1.274 10 0 CDAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)[C@H]1[NH2+]CC1(C)C ZINC000649303124 391948688 /nfs/dbraw/zinc/94/86/88/391948688.db2.gz YFCPDWLUVHXZQM-LSDHHAIUSA-N 2 0 289.423 1.274 10 0 CDAERP CN1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)Cc2ccccc21 ZINC000261714591 392019001 /nfs/dbraw/zinc/01/90/01/392019001.db2.gz FATMFINTRIXDKI-INIZCTEOSA-N 2 0 259.397 1.938 10 0 CDAERP C(CN[C@@H](C1CC1)[C@H]1C[NH2+]CCO1)C[NH+]1CCCCC1 ZINC000422793917 392260370 /nfs/dbraw/zinc/26/03/70/392260370.db2.gz XRHUZWXCHBTNQM-CVEARBPZSA-N 2 0 281.444 1.219 10 0 CDAERP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC[C@H]1CCOC1 ZINC000423038971 392293474 /nfs/dbraw/zinc/29/34/74/392293474.db2.gz ZKCHNOCVLHTAOB-CWRNSKLLSA-N 2 0 262.397 1.961 10 0 CDAERP CC(C)(CN[C@H](C1CC1)[C@@H]1C[NH2+]CCO1)C[NH+]1CCCC1 ZINC000423084091 392329472 /nfs/dbraw/zinc/32/94/72/392329472.db2.gz ZSUBHMBPJHYLPO-JKSUJKDBSA-N 2 0 295.471 1.465 10 0 CDAERP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000423115210 392355315 /nfs/dbraw/zinc/35/53/15/392355315.db2.gz XNQPJQQNTAUKCL-PMPSAXMXSA-N 2 0 262.397 1.697 10 0 CDAERP CC(C)C1CC([NH2+]C[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000488449186 392362799 /nfs/dbraw/zinc/36/27/99/392362799.db2.gz NNCMMRRATGFNKT-FHERZECASA-N 2 0 267.461 1.894 10 0 CDAERP C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CCCN1CC[NH2+]CC1 ZINC000423179601 392418662 /nfs/dbraw/zinc/41/86/62/392418662.db2.gz HNRXZGYIAFBPOK-ILXRZTDVSA-N 2 0 251.418 1.450 10 0 CDAERP C[C@@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1)C1C[NH2+]C1 ZINC000423179187 392419424 /nfs/dbraw/zinc/41/94/24/392419424.db2.gz JAUDAGGPNZKYQV-BXUZGUMPSA-N 2 0 263.360 1.602 10 0 CDAERP COc1ccc([C@H](CCn2cncn2)[NH2+]CCC[NH3+])cc1 ZINC000423194404 392431977 /nfs/dbraw/zinc/43/19/77/392431977.db2.gz RLDZBIKJNJCQJS-HNNXBMFYSA-N 2 0 289.383 1.357 10 0 CDAERP COc1ccc([C@H](NC[C@@H]2CCC[NH2+]2)[C@H]2CCC[NH2+]2)cc1 ZINC000423230924 392458555 /nfs/dbraw/zinc/45/85/55/392458555.db2.gz FSVBRCUWBZQBRG-UAGQMJEPSA-N 2 0 289.423 1.830 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]([NH+](C)C)CC2)C1 ZINC000568204432 392403513 /nfs/dbraw/zinc/40/35/13/392403513.db2.gz JRVJBBDPGZVVQE-KGLIPLIRSA-N 2 0 267.417 1.271 10 0 CDAERP C[C@@H](C[NH2+][C@@H](C)C1CC(F)(F)C1)CN1CC[NH+](C)CC1 ZINC000529538460 392475949 /nfs/dbraw/zinc/47/59/49/392475949.db2.gz OEVRPXQBTGEIOZ-STQMWFEESA-N 2 0 289.414 1.893 10 0 CDAERP C[C@@H]1C[C@H](N[C@H]2C[NH2+]CCC2(F)F)C[N@@H+]1C1CC1 ZINC000423464541 392577532 /nfs/dbraw/zinc/57/75/32/392577532.db2.gz BLMRSLUPJZMWTH-SCVCMEIPSA-N 2 0 259.344 1.198 10 0 CDAERP C[C@@H](F)CCNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000458592073 392613825 /nfs/dbraw/zinc/61/38/25/392613825.db2.gz LXFMIAKOHOWROO-GFCCVEGCSA-N 2 0 288.411 1.060 10 0 CDAERP C[C@H](C[NH2+][C@H](C)Cc1ccoc1)CN1CC[NH+](C)CC1 ZINC000449132154 392663825 /nfs/dbraw/zinc/66/38/25/392663825.db2.gz SFWNMLFDUGNKMW-HUUCEWRRSA-N 2 0 279.428 1.684 10 0 CDAERP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C(C)(C)C(F)F ZINC000657845965 413056340 /nfs/dbraw/zinc/05/63/40/413056340.db2.gz MNOQITJPWFNVGO-QWRGUYRKSA-N 2 0 264.360 1.713 10 0 CDAERP C[C@@H]1CCCCN1CC[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000494885950 393120621 /nfs/dbraw/zinc/12/06/21/393120621.db2.gz LASKGPJKCOPALY-OLZOCXBDSA-N 2 0 267.417 1.508 10 0 CDAERP C[C@H](CC[NH2+][C@H]1CCC(=O)NC1(C)C)[NH+]1CCCCC1 ZINC000494973770 393144176 /nfs/dbraw/zinc/14/41/76/393144176.db2.gz KVJDLGRPEGNBKM-KGLIPLIRSA-N 2 0 281.444 1.898 10 0 CDAERP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NCC[NH+]1CCCC1 ZINC000649280468 393313534 /nfs/dbraw/zinc/31/35/34/393313534.db2.gz XXEHSHXZZVCAFI-ZIAGYGMSSA-N 2 0 267.417 1.496 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)C(C)(C)C(F)F ZINC000657880768 413067368 /nfs/dbraw/zinc/06/73/68/413067368.db2.gz NLHBEFMXCIGLSO-VXGBXAGGSA-N 2 0 277.403 1.892 10 0 CDAERP C[C@@H]1CCC[C@](CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])([NH+](C)C)C1 ZINC000089459226 296493482 /nfs/dbraw/zinc/49/34/82/296493482.db2.gz FNVHBZUZKSNXSL-ANQUJSFKSA-N 2 0 295.471 1.988 10 0 CDAERP Cc1ccc(C[NH3+])c(N2CC[NH+](C(C)(C)C)CC2)n1 ZINC000043395831 134900220 /nfs/dbraw/zinc/90/02/20/134900220.db2.gz OGZYTIGJYPIZIQ-UHFFFAOYSA-N 2 0 262.401 1.769 10 0 CDAERP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NCC1=CC[NH2+]CC1 ZINC000186328017 140059744 /nfs/dbraw/zinc/05/97/44/140059744.db2.gz RFMRJFVOCHJYOF-ZIAGYGMSSA-N 2 0 265.401 1.320 10 0 CDAERP COC[C@H](CCC[NH3+])[NH2+]CCN1CCC(C)CC1 ZINC000234784183 140231672 /nfs/dbraw/zinc/23/16/72/140231672.db2.gz ZBXVSMZQJWAJKO-AWEZNQCLSA-N 2 0 257.422 1.062 10 0 CDAERP C[N@H+](CCCNC(=O)[C@@H]1CCC[C@H]1[NH3+])Cc1ccccc1 ZINC000250023010 140300608 /nfs/dbraw/zinc/30/06/08/140300608.db2.gz YVUUMCFERHVKDU-HZPDHXFCSA-N 2 0 289.423 1.752 10 0 CDAERP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](N[C@H]4CC[NH2+]C4)[C@@H]3C2)cc1 ZINC000261547950 140344940 /nfs/dbraw/zinc/34/49/40/140344940.db2.gz MWXCRFHTCSNDBO-FJIDUMEYSA-N 2 0 285.435 1.849 10 0 CDAERP O=C(CC[C@H]1CCC[NH2+]1)N1CCC([NH+]2CCCC2)CC1 ZINC000261691733 140376896 /nfs/dbraw/zinc/37/68/96/140376896.db2.gz HOQRAJWRWJVTIQ-CQSZACIVSA-N 2 0 279.428 1.605 10 0 CDAERP O=C(CC[C@@H]1CCC[NH2+]1)N1CCC([NH+]2CCCC2)CC1 ZINC000261691732 140377142 /nfs/dbraw/zinc/37/71/42/140377142.db2.gz HOQRAJWRWJVTIQ-AWEZNQCLSA-N 2 0 279.428 1.605 10 0 CDAERP CC1(C)C[N@H+](Cc2ccc(-n3cncn3)cc2)CC[C@@H]1[NH3+] ZINC000261726706 140380932 /nfs/dbraw/zinc/38/09/32/140380932.db2.gz JPPRDSPFYBPAOV-HNNXBMFYSA-N 2 0 285.395 1.827 10 0 CDAERP [NH3+][C@@H]1CCC[C@@H]1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000261806954 140392081 /nfs/dbraw/zinc/39/20/81/140392081.db2.gz WHMYIAXHXGHALI-NWDGAFQWSA-N 2 0 277.343 1.537 10 0 CDAERP CC1([NH3+])CCN(C(=O)C[C@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662556375 413123360 /nfs/dbraw/zinc/12/33/60/413123360.db2.gz PXTFWHGJEPOFNH-CQSZACIVSA-N 2 0 273.380 1.561 10 0 CDAERP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)Cn1cncn1 ZINC000658044113 413149619 /nfs/dbraw/zinc/14/96/19/413149619.db2.gz VYIGNNPKPSVGIG-ZDUSSCGKSA-N 2 0 253.394 1.234 10 0 CDAERP CCC[NH2+][C@H](C)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662591962 413156640 /nfs/dbraw/zinc/15/66/40/413156640.db2.gz CBISCFWCAYIVDH-UKRRQHHQSA-N 2 0 281.444 1.613 10 0 CDAERP c1cn(CCCN2CCn3c(CC4CC4)nnc3C2)cn1 ZINC000649705514 397905536 /nfs/dbraw/zinc/90/55/36/397905536.db2.gz YVQPLNHNPHASPX-UHFFFAOYSA-N 2 0 286.383 1.333 10 0 CDAERP C[NH+](C)CC1CC[NH+](C[C@@H]2CCC[C@H](O)C2)CC1 ZINC000386752161 398080296 /nfs/dbraw/zinc/08/02/96/398080296.db2.gz FNCGIVAZDBUFKF-CABCVRRESA-N 2 0 254.418 1.811 10 0 CDAERP Cc1cc(C)n(CC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC000386776790 398080998 /nfs/dbraw/zinc/08/09/98/398080998.db2.gz LMMKSSSSBHNKFN-GASCZTMLSA-N 2 0 262.401 1.431 10 0 CDAERP COC[C@H](CC[NH2+][C@H]1CN(C2CC2)C[C@@H]1C)OC ZINC000658081944 413181804 /nfs/dbraw/zinc/18/18/04/413181804.db2.gz FCEAISMNOZOQIU-UBHSHLNASA-N 2 0 256.390 1.110 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000654385476 413208167 /nfs/dbraw/zinc/20/81/67/413208167.db2.gz KIEBMHYITQOLKJ-LJISPDSOSA-N 2 0 294.443 1.253 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000658107793 413206923 /nfs/dbraw/zinc/20/69/23/413206923.db2.gz JEZCYXFQCSMMRH-HOTGVXAUSA-N 3 0 298.519 1.578 10 0 CDAERP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1ccn(C)n1 ZINC000658107694 413207309 /nfs/dbraw/zinc/20/73/09/413207309.db2.gz NFWIFGYJEFIHNS-UONOGXRCSA-N 2 0 281.448 1.343 10 0 CDAERP C[NH+](C)CCCC1CCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000182920242 148274375 /nfs/dbraw/zinc/27/43/75/148274375.db2.gz DXDDKPVFCZPHFG-CQSZACIVSA-N 2 0 267.417 1.319 10 0 CDAERP O=C(NCC[C@H]1CCC[NH2+]1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262359946 149051655 /nfs/dbraw/zinc/05/16/55/149051655.db2.gz KEMKNWUYSRJRAQ-GZBFAFLISA-N 2 0 265.401 1.025 10 0 CDAERP C[C@@H](C(=O)NC1CCCC1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000334980911 150147050 /nfs/dbraw/zinc/14/70/50/150147050.db2.gz QUAKXIXOMISISZ-BBRMVZONSA-N 2 0 279.428 1.509 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH2+]CCO[C@@H]2CC2(F)F)[C@H](C)C1 ZINC000658167147 413259089 /nfs/dbraw/zinc/25/90/89/413259089.db2.gz DMZSWOCQYNNNJV-GRYCIOLGSA-N 2 0 262.344 1.731 10 0 CDAERP NC(=O)C[C@@H]1CCCC[N@@H+]1CCCn1ccnc1 ZINC000343322052 152120022 /nfs/dbraw/zinc/12/00/22/152120022.db2.gz QBXKLXYHKRUDNQ-LBPRGKRZSA-N 2 0 250.346 1.003 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+]1CCCC1 ZINC000343489077 152201061 /nfs/dbraw/zinc/20/10/61/152201061.db2.gz KJHYLXANOPTVIQ-CQSZACIVSA-N 2 0 267.417 1.415 10 0 CDAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000346129401 153062938 /nfs/dbraw/zinc/06/29/38/153062938.db2.gz YFOWATSRNDVTSQ-UPJWGTAASA-N 2 0 253.390 1.070 10 0 CDAERP CC(C)[NH+]1CCC(C(=O)NCCCC[NH+](C)C)CC1 ZINC000346138544 153066304 /nfs/dbraw/zinc/06/63/04/153066304.db2.gz VTILBBOQVBPNBS-UHFFFAOYSA-N 2 0 269.433 1.565 10 0 CDAERP CCCC[N@H+](C)CCNC(=O)N(C)[C@H]1CC[NH+](C2CC2)C1 ZINC000352718191 155388258 /nfs/dbraw/zinc/38/82/58/155388258.db2.gz IYFHBTWAXIWBLL-HNNXBMFYSA-N 2 0 296.459 1.596 10 0 CDAERP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CC[C@@H]3C[NH+](C)C[C@@H]32)C1 ZINC000660609817 413288369 /nfs/dbraw/zinc/28/83/69/413288369.db2.gz GCOLVPQPVVHITF-QXSJWSMHSA-N 2 0 265.445 1.600 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000350725590 154437009 /nfs/dbraw/zinc/43/70/09/154437009.db2.gz YYFUDNXQEGGADG-CQSZACIVSA-N 2 0 298.475 1.700 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCC[NH+]1C ZINC000354154926 156293523 /nfs/dbraw/zinc/29/35/23/156293523.db2.gz FXHSTXZRNVLHRI-CHWSQXEVSA-N 2 0 253.390 1.071 10 0 CDAERP [NH3+][C@H](Cc1cn([C@@H]2CCC[NH2+]C2)nn1)Cc1ccccc1 ZINC000656468483 413326988 /nfs/dbraw/zinc/32/69/88/413326988.db2.gz YMWFUXVTQSHDDS-GOEBONIOSA-N 2 0 285.395 1.315 10 0 CDAERP CC[C@H](C)[N@H+](C)CCNC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662713780 413367216 /nfs/dbraw/zinc/36/72/16/413367216.db2.gz YTETYMQZUGUORR-JTQLQIEISA-N 2 0 282.388 1.329 10 0 CDAERP CCN(C)C[C@H](O)C[N@@H+]1CCc2ccccc2[C@@H](C)C1 ZINC000404749169 413368116 /nfs/dbraw/zinc/36/81/16/413368116.db2.gz UXIQNRYDDACWTO-HOCLYGCPSA-N 2 0 276.424 1.961 10 0 CDAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[NH2+]C2)C[C@@H]1C ZINC000662743851 413416142 /nfs/dbraw/zinc/41/61/42/413416142.db2.gz WCOKWKDJYYKPOF-BFHYXJOUSA-N 2 0 267.417 1.317 10 0 CDAERP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)C(=O)N(C)C ZINC000020308994 171143456 /nfs/dbraw/zinc/14/34/56/171143456.db2.gz UPYPEMXOBLMMTK-STQMWFEESA-N 2 0 257.422 1.563 10 0 CDAERP C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2C[NH3+])C[C@H](C)O1 ZINC000022153038 171360376 /nfs/dbraw/zinc/36/03/76/171360376.db2.gz VZHDSOSZWBLFBT-BETUJISGSA-N 2 0 291.395 1.583 10 0 CDAERP CN1CC[NH+](CCCC(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000022155374 171361972 /nfs/dbraw/zinc/36/19/72/171361972.db2.gz FOELSSVTEBJUMV-UHFFFAOYSA-N 2 0 290.411 1.111 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+] ZINC000653175870 412114786 /nfs/dbraw/zinc/11/47/86/412114786.db2.gz DUWUFLVYCFGKIV-KBPBESRZSA-N 2 0 271.449 1.700 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)c1coc(C[NH3+])c1 ZINC000653176116 412116764 /nfs/dbraw/zinc/11/67/64/412116764.db2.gz KKLBPMPVHYIDSZ-UHFFFAOYSA-N 2 0 267.373 1.446 10 0 CDAERP [NH3+]CC1(CCNC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000653215961 412143931 /nfs/dbraw/zinc/14/39/31/412143931.db2.gz LQWKWZYRGNXFEB-LBPRGKRZSA-N 2 0 281.787 1.585 10 0 CDAERP CC[N@@H+]1C[C@H](C)N(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C[C@H]1C ZINC000654662620 413554057 /nfs/dbraw/zinc/55/40/57/413554057.db2.gz WLRGRVIZAHSMSP-BARDWOONSA-N 2 0 296.459 1.451 10 0 CDAERP [NH3+]CCc1ccc(OCC[NH+]2CCSCC2)cc1 ZINC000035725282 172380028 /nfs/dbraw/zinc/38/00/28/172380028.db2.gz QMMNIGFPDSXBJM-UHFFFAOYSA-N 2 0 266.410 1.615 10 0 CDAERP C[C@H]1C[C@H](C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C[C@@H](C)C1 ZINC000656705965 413577196 /nfs/dbraw/zinc/57/71/96/413577196.db2.gz MGQBTCQATABYQH-LTIDMASMSA-N 2 0 297.487 1.257 10 0 CDAERP CCC(C)(C)CNC(=O)NCCN(C)CCC[NH+](C)C ZINC000664749495 413631152 /nfs/dbraw/zinc/63/11/52/413631152.db2.gz HGMQZFMUHQGQAI-UHFFFAOYSA-N 2 0 286.464 1.605 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000662851904 413607719 /nfs/dbraw/zinc/60/77/19/413607719.db2.gz FIIRVNMLZDIRHT-QWHCGFSZSA-N 2 0 281.444 1.754 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000664718285 413612447 /nfs/dbraw/zinc/61/24/47/413612447.db2.gz BQFXYBNRMXNXFS-ZDUSSCGKSA-N 2 0 281.444 1.613 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000664719775 413615029 /nfs/dbraw/zinc/61/50/29/413615029.db2.gz ZFDFQHXXNPQJTH-GFCCVEGCSA-N 2 0 287.473 1.318 10 0 CDAERP CC(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000659292968 413682646 /nfs/dbraw/zinc/68/26/46/413682646.db2.gz STKFGJQRVGLTSU-GJZGRUSLSA-N 2 0 297.443 1.216 10 0 CDAERP CC(C)[NH+](CCNC(=O)N1CC2CC1(C[NH3+])C2)C(C)C ZINC000659425451 413807203 /nfs/dbraw/zinc/80/72/03/413807203.db2.gz LKQROCCLAKHLRD-UHFFFAOYSA-N 2 0 282.432 1.238 10 0 CDAERP C[NH+](C)CCCNC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000654852286 413766551 /nfs/dbraw/zinc/76/65/51/413766551.db2.gz ABDLSZVAMWXNSS-UHFFFAOYSA-N 2 0 275.356 1.085 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659493973 413883580 /nfs/dbraw/zinc/88/35/80/413883580.db2.gz KCOMXPGEFOFESF-DNOWBOINSA-N 2 0 282.432 1.240 10 0 CDAERP C[C@H](NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)C(C)(C)C[NH+](C)C ZINC000659467905 413857570 /nfs/dbraw/zinc/85/75/70/413857570.db2.gz ROTIERDXPBIQBW-QJPTWQEYSA-N 2 0 288.411 1.043 10 0 CDAERP [NH3+]C/C=C/CNC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659543475 413947079 /nfs/dbraw/zinc/94/70/79/413947079.db2.gz IPGDWUSCWAWGSF-IHVVCDCBSA-N 2 0 280.416 1.208 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H](C)CCCC[NH3+] ZINC000659544557 413950705 /nfs/dbraw/zinc/95/07/05/413950705.db2.gz CQWRUXABMCBMQW-NWDGAFQWSA-N 2 0 258.410 1.177 10 0 CDAERP CCCN(C(=O)C[NH+]1CC[C@@H](C)C1)[C@H]1CC[N@H+](C)C1 ZINC000655157407 414126930 /nfs/dbraw/zinc/12/69/30/414126930.db2.gz CFELTZZFYGSDBD-KGLIPLIRSA-N 2 0 267.417 1.271 10 0 CDAERP Cc1c(Cl)c(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)nn1C ZINC000655824663 414226536 /nfs/dbraw/zinc/22/65/36/414226536.db2.gz NJYNCGFGHXNHOX-PHIMTYICSA-N 2 0 270.808 1.812 10 0 CDAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cnc3ccccn23)C1 ZINC000655827660 414236328 /nfs/dbraw/zinc/23/63/28/414236328.db2.gz WVBIEBMBSLSNEV-BETUJISGSA-N 2 0 258.369 1.764 10 0 CDAERP C[C@H]1CCCC[C@@H]1NC(=O)NCCN(C)CCC[NH+](C)C ZINC000663414407 414237759 /nfs/dbraw/zinc/23/77/59/414237759.db2.gz CNXPBZYMIWNMJN-GJZGRUSLSA-N 2 0 298.475 1.748 10 0 CDAERP FCCOCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000663339249 414165202 /nfs/dbraw/zinc/16/52/02/414165202.db2.gz VAKIWKRNXFJHOE-UHFFFAOYSA-N 2 0 264.304 1.343 10 0 CDAERP COC1([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CCOCC1 ZINC000655804410 414199009 /nfs/dbraw/zinc/19/90/09/414199009.db2.gz YHSMQOICOOPGAN-MELADBBJSA-N 2 0 270.417 1.500 10 0 CDAERP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cnn2c1CCC2 ZINC000657389550 414271798 /nfs/dbraw/zinc/27/17/98/414271798.db2.gz LHZQEQCIRMAGHD-CQSZACIVSA-N 2 0 280.416 1.276 10 0 CDAERP [NH3+][C@H]1CCC[C@H](NCc2nc3c(s2)C[NH2+]CC3)C1 ZINC000663497207 414297905 /nfs/dbraw/zinc/29/79/05/414297905.db2.gz LQHNYRNUKPUABJ-UWVGGRQHSA-N 2 0 266.414 1.148 10 0 CDAERP C[C@H]1C[C@@H](C[N@@H+]2CCOc3ccc(O)cc3C2)CC[NH2+]1 ZINC000663501788 414302531 /nfs/dbraw/zinc/30/25/31/414302531.db2.gz AUTGIQORSLOPGD-STQMWFEESA-N 2 0 276.380 1.975 10 0 CDAERP CO[C@H](C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)[C@H]1CCOC1 ZINC000659973424 414313438 /nfs/dbraw/zinc/31/34/38/414313438.db2.gz DHELOYLJJHSLCH-IXDOHACOSA-N 2 0 296.455 1.702 10 0 CDAERP CC(C)[C@H]([NH3+])CC(=O)NCC1([NH+](C)C)CCCC1 ZINC000132388918 414429045 /nfs/dbraw/zinc/42/90/45/414429045.db2.gz DTHRBBUDCZDYNK-GFCCVEGCSA-N 2 0 255.406 1.350 10 0 CDAERP CCN(C(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1)[C@H]1CC[N@H+](C)C1 ZINC000663681108 414404168 /nfs/dbraw/zinc/40/41/68/414404168.db2.gz IUUCPXHUGUPVDJ-ILXRZTDVSA-N 2 0 294.443 1.349 10 0 CDAERP CNC(=O)[C@@H](C)C[N@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000662257184 414593019 /nfs/dbraw/zinc/59/30/19/414593019.db2.gz BFOBEVDCTBXTPN-LBPRGKRZSA-N 2 0 275.396 1.146 10 0 CDAERP COC[C@](C)(CCO)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000662259392 414595548 /nfs/dbraw/zinc/59/55/48/414595548.db2.gz WWFLFUPBQNETHJ-INIZCTEOSA-N 2 0 278.396 1.209 10 0 CDAERP CN(C)c1cccc(C[N@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662279794 414609024 /nfs/dbraw/zinc/60/90/24/414609024.db2.gz LOCZOAMEVIFXSE-INIZCTEOSA-N 2 0 289.423 1.705 10 0 CDAERP Cc1ccc(OCC[N@@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662248561 414583418 /nfs/dbraw/zinc/58/34/18/414583418.db2.gz FWEXGQQHOZXHEN-INIZCTEOSA-N 2 0 290.407 1.827 10 0 CDAERP C[C@@H]1CC[C@@H](C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)O1 ZINC000662322902 414639703 /nfs/dbraw/zinc/63/97/03/414639703.db2.gz JLOCKVSFUDCPPE-ILXRZTDVSA-N 2 0 270.417 1.597 10 0 CDAERP CC(C)C[C@@H](C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508137 174303176 /nfs/dbraw/zinc/30/31/76/174303176.db2.gz RYYOKFANIMRKGC-ZIAGYGMSSA-N 2 0 267.417 1.317 10 0 CDAERP Cc1cc(C)c(C(N)=[NH2+])c(OCC[C@H]2CCC[N@H+]2C)n1 ZINC000040515291 174306677 /nfs/dbraw/zinc/30/66/77/174306677.db2.gz NGFGKNHHGQLPES-GFCCVEGCSA-N 2 0 276.384 1.846 10 0 CDAERP [NH3+]C1(C(=O)NCC[NH+]2CCCCCC2)CCCCC1 ZINC000040768224 174398719 /nfs/dbraw/zinc/39/87/19/174398719.db2.gz WUIMHJFLUXQGTJ-UHFFFAOYSA-N 2 0 267.417 1.640 10 0 CDAERP CC(C)[C@@H](CNC(=O)[C@H]1CCCC[NH2+]1)[NH+]1CCCC1 ZINC000040831068 174412764 /nfs/dbraw/zinc/41/27/64/174412764.db2.gz IHROJMLLYSOMSA-ZIAGYGMSSA-N 2 0 267.417 1.365 10 0 CDAERP C[NH+](C)[C@@H](CN[C@@H]1CCC[NH2+]C1)c1cccs1 ZINC000043324946 175006966 /nfs/dbraw/zinc/00/69/66/175006966.db2.gz PKUVCTFGVAWSIU-NEPJUHHUSA-N 2 0 253.415 1.692 10 0 CDAERP CC(C)CN(CC[NH+](C)C)[C@H]([C@@H](C)[NH3+])C(F)(F)F ZINC000043379255 175030907 /nfs/dbraw/zinc/03/09/07/175030907.db2.gz GSARARJKJJRXPK-GHMZBOCLSA-N 2 0 269.355 1.784 10 0 CDAERP CC(C)C[N@H+](CCC[NH3+])[C@@H](C)C(=O)N1CCCC1 ZINC000043417306 175038386 /nfs/dbraw/zinc/03/83/86/175038386.db2.gz UXXKEGNYZFGVBP-ZDUSSCGKSA-N 2 0 255.406 1.304 10 0 CDAERP CCC[NH+]1CCN(CCC[C@H]2CCC[NH2+]C2)CC1 ZINC000043601162 175077878 /nfs/dbraw/zinc/07/78/78/175077878.db2.gz WLXVWAYJONIPSM-OAHLLOKOSA-N 2 0 253.434 1.794 10 0 CDAERP CCC[NH2+][C@H]1CCOC[C@@H]1N1CC[NH+](C(C)C)CC1 ZINC000043897218 175119826 /nfs/dbraw/zinc/11/98/26/175119826.db2.gz POTQXSWDWLXJJV-GJZGRUSLSA-N 2 0 269.433 1.170 10 0 CDAERP C[NH2+][C@@H](CN1CCC([NH+](C)C)CC1)c1ccc(OC)cc1 ZINC000043897288 175119936 /nfs/dbraw/zinc/11/99/36/175119936.db2.gz SEVGJXCLOVEVNL-KRWDZBQOSA-N 2 0 291.439 1.982 10 0 CDAERP CC[NH2+][C@H]1CCC2(C[C@@H]1[N@@H+]1CCC[C@@H]1C)OCCO2 ZINC000043903295 175122442 /nfs/dbraw/zinc/12/24/42/175122442.db2.gz OHNQYUKVRMXMQT-IHRRRGAJSA-N 2 0 268.401 1.744 10 0 CDAERP CC[NH2+][C@@H]1CCC[C@H]1N1CC[NH+](CC2CC2)CC1 ZINC000043967935 175129013 /nfs/dbraw/zinc/12/90/13/175129013.db2.gz NOOWMXAJBZRWIQ-HUUCEWRRSA-N 2 0 251.418 1.545 10 0 CDAERP CC[NH+]1CCC(C[NH2+][C@H](C)C(=O)NC(C)(C)C)CC1 ZINC000044518770 175191643 /nfs/dbraw/zinc/19/16/43/175191643.db2.gz LNSXBNCOOOKZJT-GFCCVEGCSA-N 2 0 269.433 1.611 10 0 CDAERP C[NH+]1CCC(CNC(=O)[C@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000044526628 175192067 /nfs/dbraw/zinc/19/20/67/175192067.db2.gz QQQXTQDFPCCLKG-SOUVJXGZSA-N 2 0 279.428 1.365 10 0 CDAERP C[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccc(C[NH3+])cc1 ZINC000044565395 175208501 /nfs/dbraw/zinc/20/85/01/175208501.db2.gz RDBPAWKBLOLYSS-AWEZNQCLSA-N 2 0 276.384 1.751 10 0 CDAERP CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+][C@@H]2CCN(C3CC3)C2)C1 ZINC000044685749 175231036 /nfs/dbraw/zinc/23/10/36/175231036.db2.gz DFRGNGJZQNBNBP-RBSFLKMASA-N 2 0 265.445 1.933 10 0 CDAERP C[N@@H+]1CCCC[C@@H]1CNC(=O)C1(C[NH3+])CCCCCC1 ZINC000044764411 175248585 /nfs/dbraw/zinc/24/85/85/175248585.db2.gz INWCEPQEYJPJHQ-CQSZACIVSA-N 2 0 281.444 1.886 10 0 CDAERP CCC[NH+]1CCN(CCCC[C@@](C)([NH2+]CC)C(N)=O)CC1 ZINC000045373928 175365740 /nfs/dbraw/zinc/36/57/40/175365740.db2.gz KDFYGHOOBUYFBM-MRXNPFEDSA-N 2 0 298.475 1.038 10 0 CDAERP C[C@]([NH3+])(CCC[N@@H+]1CCc2ccccc2C1)C(N)=O ZINC000045378785 175368301 /nfs/dbraw/zinc/36/83/01/175368301.db2.gz KIAUQASCYHAVAA-HNNXBMFYSA-N 2 0 261.369 1.028 10 0 CDAERP CC[NH2+][C@](C)(CCCC[N@H+](CC)C1CC1)C(N)=O ZINC000045386385 175373003 /nfs/dbraw/zinc/37/30/03/175373003.db2.gz IQTHBRLAYSBXHP-CQSZACIVSA-N 2 0 255.406 1.495 10 0 CDAERP CC[NH2+][C@@](C)(CCC[N@H+](C)[C@@H](C)C(C)C)C(N)=O ZINC000045392147 175375448 /nfs/dbraw/zinc/37/54/48/175375448.db2.gz VHYNIOJTXXRUKY-JSGCOSHPSA-N 2 0 257.422 1.596 10 0 CDAERP CC(C)[NH2+][C@H]1CCN([C@H](C[NH+](C)C)C(C)C)C1=O ZINC000071034242 176024243 /nfs/dbraw/zinc/02/42/43/176024243.db2.gz RTWOQCAJSOBBJK-QWHCGFSZSA-N 2 0 255.406 1.172 10 0 CDAERP CC(C)[NH2+][C@@H]1CCN(C[C@H](C)[NH+]2CCCCC2)C1=O ZINC000071036362 176025381 /nfs/dbraw/zinc/02/53/81/176025381.db2.gz OOIAVNOYFNTKPA-UONOGXRCSA-N 2 0 267.417 1.460 10 0 CDAERP CCC[NH2+][C@H]1CCCN([C@H](C)CC[NH+](C)C)C1=O ZINC000071037242 176026152 /nfs/dbraw/zinc/02/61/52/176026152.db2.gz CLEDYFRMXUKFCC-OLZOCXBDSA-N 2 0 255.406 1.317 10 0 CDAERP C[C@H]1CCC[C@@H]([N@@H+]2CCCN(CCC[NH3+])CC2)C1 ZINC000071147380 176043364 /nfs/dbraw/zinc/04/33/64/176043364.db2.gz HDMPDRUTSRUICG-LSDHHAIUSA-N 2 0 253.434 1.922 10 0 CDAERP CN(CC(=O)Nc1ccccc1N)C[C@@H]1CC[N@H+](C)C1 ZINC000071187659 176060732 /nfs/dbraw/zinc/06/07/32/176060732.db2.gz CVPLFALCKOSFCX-GFCCVEGCSA-N 2 0 276.384 1.091 10 0 CDAERP C[NH2+][C@@H]1c2ccccc2OC[C@@H]1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188880 176063491 /nfs/dbraw/zinc/06/34/91/176063491.db2.gz OSDGSSNRRLKEQJ-UKPHBRMFSA-N 2 0 289.423 1.592 10 0 CDAERP CC1CCC(C[NH3+])(N(C)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000071188599 176063549 /nfs/dbraw/zinc/06/35/49/176063549.db2.gz NSAIOCBKHREVOI-SLTAFYQDSA-N 2 0 253.434 1.778 10 0 CDAERP COC(=O)[C@](C)(CC[N@H+](C)C[C@@H]1CC[NH+](C)C1)NC(C)C ZINC000071191030 176067379 /nfs/dbraw/zinc/06/73/79/176067379.db2.gz PUHBUPWQSZHJHK-ZBFHGGJFSA-N 2 0 299.459 1.190 10 0 CDAERP CN(C[C@H]1CC[N@H+](C)C1)c1cc(C[NH2+]C2CC2)ccn1 ZINC000071191720 176072895 /nfs/dbraw/zinc/07/28/95/176072895.db2.gz NWXNNFINVJHYEQ-AWEZNQCLSA-N 2 0 274.412 1.722 10 0 CDAERP CC[NH2+]CCCCCC[NH+](CCOC)CCOC ZINC000071289702 176110494 /nfs/dbraw/zinc/11/04/94/176110494.db2.gz AICNLEIDPMSOKP-UHFFFAOYSA-N 2 0 260.422 1.751 10 0 CDAERP C[NH+](C)[C@@H]1CCN(C(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000071401539 176154090 /nfs/dbraw/zinc/15/40/90/176154090.db2.gz NIFVDVJCAVGPKO-CABCVRRESA-N 2 0 275.396 1.629 10 0 CDAERP CC(C)[C@H](CC[NH3+])CCC(=O)NC[C@H](C)[NH+](C)C ZINC000079277288 177461608 /nfs/dbraw/zinc/46/16/08/177461608.db2.gz HESOWZFZMBZGQG-STQMWFEESA-N 2 0 257.422 1.454 10 0 CDAERP C[C@@]1(C(=O)N2CCC([NH+]3CCCC3)CC2)CCC[NH2+]1 ZINC000079518787 177513793 /nfs/dbraw/zinc/51/37/93/177513793.db2.gz KLHRMNAHWSIQAG-HNNXBMFYSA-N 2 0 265.401 1.215 10 0 CDAERP CC[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC1CC1 ZINC001665872398 1173078230 /nfs/dbraw/zinc/07/82/30/1173078230.db2.gz QKQZYKCDSRYCHC-ZIAGYGMSSA-N 2 0 267.417 1.223 10 0 CDAERP CC(C)Oc1cc(NCC[NH+]2CCCC2)nc(N)n1 ZINC000065427028 260242673 /nfs/dbraw/zinc/24/26/73/260242673.db2.gz RRSLTBHJKMCZRJ-UHFFFAOYSA-N 2 0 265.361 1.354 10 0 CDAERP C[N@H+](CCC1CCOCC1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662256039 423799865 /nfs/dbraw/zinc/79/98/65/423799865.db2.gz ILFGEPMFIXEYJJ-CQSZACIVSA-N 2 0 268.401 1.256 10 0 CDAERP CC1CC[NH+](C[C@H]2CCCN(C[C@@H]3C[NH2+]CCO3)C2)CC1 ZINC000662259705 423805277 /nfs/dbraw/zinc/80/52/77/423805277.db2.gz AFAFOMZSVCRVQY-SJORKVTESA-N 2 0 295.471 1.419 10 0 CDAERP FC1(F)C[C@@H]1OCC[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000662273573 423830844 /nfs/dbraw/zinc/83/08/44/423830844.db2.gz OQHBBBZHNIKISL-AGIUHOORSA-N 2 0 274.355 1.732 10 0 CDAERP CCc1nnc([C@@H](C)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)[nH]1 ZINC000662272706 423834873 /nfs/dbraw/zinc/83/48/73/423834873.db2.gz GYSNJRKYCTWHCE-VXGBXAGGSA-N 2 0 293.415 1.115 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000652224866 424085228 /nfs/dbraw/zinc/08/52/28/424085228.db2.gz JPQOPBJTIPRBLH-OAHLLOKOSA-N 2 0 284.448 1.345 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000652225209 424089573 /nfs/dbraw/zinc/08/95/73/424089573.db2.gz SVHCZIJWCJXHKC-OAHLLOKOSA-N 2 0 298.475 1.735 10 0 CDAERP CN(C(=O)NCCC1CC[NH2+]CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000652323612 424238749 /nfs/dbraw/zinc/23/87/49/424238749.db2.gz LJTIMJRQHWBUDQ-YIONKMFJSA-N 2 0 294.443 1.301 10 0 CDAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662716072 424374550 /nfs/dbraw/zinc/37/45/50/424374550.db2.gz QMQOZHZLNIGMCT-AWEZNQCLSA-N 2 0 279.428 1.652 10 0 CDAERP CCC[N@H+](C)CC(C)(C)NC(=O)[C@@H]1CC[NH2+][C@H]1CC ZINC000664719072 424325785 /nfs/dbraw/zinc/32/57/85/424325785.db2.gz MOUDITMNMPOXTB-OLZOCXBDSA-N 2 0 269.433 1.611 10 0 CDAERP CC[C@H]1CN(C(=O)c2ccccc2CC[NH3+])CC[C@H]1[NH3+] ZINC000653135076 424347919 /nfs/dbraw/zinc/34/79/19/424347919.db2.gz RYKQRXCWSDJNKI-SWLSCSKDSA-N 2 0 275.396 1.387 10 0 CDAERP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000659620233 424414652 /nfs/dbraw/zinc/41/46/52/424414652.db2.gz YKYXBNJJDFSUHS-YNEHKIRRSA-N 2 0 270.421 1.129 10 0 CDAERP C([NH2+][C@H]1CCC[C@@H]([C@H]2CCOC2)C1)C12CC(C1)C[NH2+]2 ZINC000665279353 424488177 /nfs/dbraw/zinc/48/81/77/424488177.db2.gz ASUIRLACHKEMHH-KEYQJZJPSA-N 2 0 264.413 1.923 10 0 CDAERP COc1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cn1 ZINC000530221883 271163842 /nfs/dbraw/zinc/16/38/42/271163842.db2.gz PKDBGIFVYKUNPG-ZIAGYGMSSA-N 2 0 263.385 1.740 10 0 CDAERP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000191495704 276096187 /nfs/dbraw/zinc/09/61/87/276096187.db2.gz FBBPBFUSOHYCIU-OAHLLOKOSA-N 2 0 279.432 1.722 10 0 CDAERP CC[C@@H](Cn1cncn1)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000340520358 276528674 /nfs/dbraw/zinc/52/86/74/276528674.db2.gz ZHINYOBQLCVCPQ-AWEZNQCLSA-N 2 0 277.416 1.521 10 0 CDAERP COCCN(C)CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000367601948 277213533 /nfs/dbraw/zinc/21/35/33/277213533.db2.gz QPWTXEYAJHVKMJ-KFWWJZLASA-N 2 0 269.433 1.027 10 0 CDAERP CNC(=O)C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccccc1 ZINC000423093395 277232157 /nfs/dbraw/zinc/23/21/57/277232157.db2.gz HIPNNRUYCBTPAN-DZGCQCFKSA-N 2 0 277.412 1.971 10 0 CDAERP CC(C)([NH3+])CNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000418135813 277307038 /nfs/dbraw/zinc/30/70/38/277307038.db2.gz RGPICZMKXSPXMI-UHFFFAOYSA-N 2 0 268.405 1.040 10 0 CDAERP C[C@@H]([NH2+]C1CCN(c2ccccc2)CC1)C1C[NH2+]C1 ZINC000422728648 278336273 /nfs/dbraw/zinc/33/62/73/278336273.db2.gz AMDKQHCVXYBGEM-CYBMUJFWSA-N 2 0 259.397 1.853 10 0 CDAERP CC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C[C@@H](C)OC ZINC000361558411 279054043 /nfs/dbraw/zinc/05/40/43/279054043.db2.gz HOCPORXBZDJJJS-CYBMUJFWSA-N 2 0 297.443 1.086 10 0 CDAERP CC[NH+](CC)CCCN[C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422739135 279100485 /nfs/dbraw/zinc/10/04/85/279100485.db2.gz ZXHMKVSTCZPTMZ-LSDHHAIUSA-N 2 0 269.433 1.075 10 0 CDAERP CC(C)C[C@H](C[NH3+])NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000418417844 279136714 /nfs/dbraw/zinc/13/67/14/279136714.db2.gz VWJGYOKAPPBTMD-BFHYXJOUSA-N 2 0 284.448 1.484 10 0 CDAERP CC(C)C[C@H](C[NH3+])NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000418417845 279137020 /nfs/dbraw/zinc/13/70/20/279137020.db2.gz VWJGYOKAPPBTMD-MCIONIFRSA-N 2 0 284.448 1.484 10 0 CDAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCCC(=O)OC)[C@@H](C)C1 ZINC000247054793 279397586 /nfs/dbraw/zinc/39/75/86/279397586.db2.gz OQFNYYCEATXXPR-QWHCGFSZSA-N 2 0 256.390 1.602 10 0 CDAERP CC[N@@H+]1CCC[C@H](NC(=O)NCC[NH+]2CCC(C)CC2)C1 ZINC000194145928 280025461 /nfs/dbraw/zinc/02/54/61/280025461.db2.gz XTYSXNGYQWQMRJ-HNNXBMFYSA-N 2 0 296.459 1.502 10 0 CDAERP C[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1C)C[NH+]1CCCC1 ZINC000195131431 280071064 /nfs/dbraw/zinc/07/10/64/280071064.db2.gz IAVIGEBGSJDGFZ-KBPBESRZSA-N 2 0 282.432 1.112 10 0 CDAERP CC(C)[C@H](CN[C@H](C1CC1)[C@@H]1C[NH2+]CCO1)[NH+]1CCCC1 ZINC000422968771 280255261 /nfs/dbraw/zinc/25/52/61/280255261.db2.gz XOCOOFBXMVVXBL-YESZJQIVSA-N 2 0 295.471 1.463 10 0 CDAERP CC(C)[C@H]([NH3+])CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000418388914 280284145 /nfs/dbraw/zinc/28/41/45/280284145.db2.gz VYNNNVVZUVVCBF-JHJVBQTASA-N 2 0 270.421 1.094 10 0 CDAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000246799638 280304565 /nfs/dbraw/zinc/30/45/65/280304565.db2.gz CZQZXCJBCGKKFO-GXTWGEPZSA-N 2 0 267.417 1.173 10 0 CDAERP CC[N@@H+]1CC[C@H](NC[C@H]2CCC[NH+]2CCOC)[C@@H](C)C1 ZINC000246917615 280309958 /nfs/dbraw/zinc/30/99/58/280309958.db2.gz GEJMTVZFCRDUSY-XHSDSOJGSA-N 2 0 283.460 1.417 10 0 CDAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H]2CCC[NH+](C)C2)C1 ZINC000247115047 280320119 /nfs/dbraw/zinc/32/01/19/280320119.db2.gz KZQHPMWADMDLNC-ZIAGYGMSSA-N 2 0 282.432 1.112 10 0 CDAERP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)[C@@H]1CC1(C)C ZINC000397714727 280709045 /nfs/dbraw/zinc/70/90/45/280709045.db2.gz VTMNFOQICJUPFG-IHRRRGAJSA-N 2 0 254.418 1.857 10 0 CDAERP CCN(CC[NH2+]CCCF)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001668464401 1173417789 /nfs/dbraw/zinc/41/77/89/1173417789.db2.gz OCKDFNRCGKZYCQ-CABCVRRESA-N 2 0 299.434 1.801 10 0 CDAERP CCc1ccc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)s1 ZINC000516740087 280943705 /nfs/dbraw/zinc/94/37/05/280943705.db2.gz IYTAPGHZKAEITK-CYBMUJFWSA-N 2 0 297.468 1.008 10 0 CDAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CC(C)(C)[NH3+] ZINC000251911018 288295349 /nfs/dbraw/zinc/29/53/49/288295349.db2.gz XELBCHOTPHOTLP-NEPJUHHUSA-N 2 0 253.390 1.199 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000235372859 288303580 /nfs/dbraw/zinc/30/35/80/288303580.db2.gz JUPOLNHIHHANFZ-MCIONIFRSA-N 2 0 279.428 1.460 10 0 CDAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C[NH+](CC)CC ZINC000173472485 281188965 /nfs/dbraw/zinc/18/89/65/281188965.db2.gz JETXKESSOJMZSW-UONOGXRCSA-N 2 0 267.417 1.413 10 0 CDAERP C[C@@H]1C[NH2+]CCN1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000334915301 288317333 /nfs/dbraw/zinc/31/73/33/288317333.db2.gz FEOJDGQMTVFGCQ-LLVKDONJSA-N 2 0 282.432 1.299 10 0 CDAERP CC[C@H](C(=O)N(CC)CC[NH2+]Cc1cnoc1C)[NH+](C)C ZINC001668619276 1173432657 /nfs/dbraw/zinc/43/26/57/1173432657.db2.gz INYZGLPRPBQHQJ-CQSZACIVSA-N 2 0 296.415 1.261 10 0 CDAERP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000417796070 289015731 /nfs/dbraw/zinc/01/57/31/289015731.db2.gz RKZFXTUDUJVUTB-FIBILERRSA-N 2 0 294.443 1.394 10 0 CDAERP C[NH+](C)C1CCN(C(=O)[C@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000263207260 289067542 /nfs/dbraw/zinc/06/75/42/289067542.db2.gz JVWMSAKWPSSQIO-HIFRSBDPSA-N 2 0 267.417 1.447 10 0 CDAERP CC1CC[NH+](CCN2CC[NH+](C3CC3)CC2)CC1 ZINC000153532775 289172455 /nfs/dbraw/zinc/17/24/55/289172455.db2.gz YFXSYSUAPGRPNC-UHFFFAOYSA-N 2 0 251.418 1.498 10 0 CDAERP C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000234263742 289372744 /nfs/dbraw/zinc/37/27/44/289372744.db2.gz PZMXWPMTMPBBEC-QWHCGFSZSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000367527466 289603683 /nfs/dbraw/zinc/60/36/83/289603683.db2.gz OUZCZJUOBMLQQF-TZMCWYRMSA-N 2 0 277.416 1.013 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]CCC(=O)NC(C)(C)C)[C@H]2CCC[C@H]21 ZINC000353385077 290217137 /nfs/dbraw/zinc/21/71/37/290217137.db2.gz JNKWLTPCNVRUPU-HZSPNIEDSA-N 2 0 281.444 1.754 10 0 CDAERP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)CCC(=O)N2)[C@@H]2CCC[C@H]21 ZINC000453403938 290220693 /nfs/dbraw/zinc/22/06/93/290220693.db2.gz DHDFWMAXQIZFRS-XPCVCDNBSA-N 2 0 265.401 1.118 10 0 CDAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CC[NH+]3CCC2CC3)C1 ZINC000556454572 290269830 /nfs/dbraw/zinc/26/98/30/290269830.db2.gz PELSZRJUOCEVHJ-CQSZACIVSA-N 2 0 294.443 1.206 10 0 CDAERP C[C@H](CNC(=O)NCC[C@H]1CCC[NH2+]1)[NH+]1CCC(C)CC1 ZINC000557137862 290330775 /nfs/dbraw/zinc/33/07/75/290330775.db2.gz TZZYVBRJKAJYCF-HUUCEWRRSA-N 2 0 296.459 1.548 10 0 CDAERP O=C(NC1CC([NH+]2CCCCC2)C1)N[C@H]1CCC[NH2+]C1 ZINC000562812105 293202433 /nfs/dbraw/zinc/20/24/33/293202433.db2.gz CQIUWXYEIHTJDT-HSBZDZAISA-N 2 0 280.416 1.055 10 0 CDAERP C[C@@H]1[NH2+]CC[C@H]1c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000564958545 293469897 /nfs/dbraw/zinc/46/98/97/293469897.db2.gz HAOFPESWFHTISB-JOYOIKCWSA-N 2 0 258.325 1.661 10 0 CDAERP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H](CO)Cc2ccc(F)c(F)c2)C1 ZINC000571061494 294363536 /nfs/dbraw/zinc/36/35/36/294363536.db2.gz VXJPZMDWCBJRFD-MCIONIFRSA-N 2 0 298.377 1.975 10 0 CDAERP CC[N@@H+]1CC[C@H](N(C)C(=O)CC[NH2+]C(C)C)[C@H](C)C1 ZINC000571169743 294381901 /nfs/dbraw/zinc/38/19/01/294381901.db2.gz ZCGLABYWYQHUAW-KGLIPLIRSA-N 2 0 269.433 1.563 10 0 CDAERP [NH3+]C1(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CCCCC1 ZINC000237757642 295208458 /nfs/dbraw/zinc/20/84/58/295208458.db2.gz BNJUOJPQWWCKEN-IHRRRGAJSA-N 2 0 279.428 1.685 10 0 CDAERP CC[C@H](F)C[NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001668973101 1173485953 /nfs/dbraw/zinc/48/59/53/1173485953.db2.gz KLHHPYZDFAHKHI-GJBLVYBDSA-N 2 0 299.434 1.871 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CC[C@H]1CC[NH2+]C1 ZINC000251778787 297097744 /nfs/dbraw/zinc/09/77/44/297097744.db2.gz MUYYTVXNJZSGBZ-RDBSUJKOSA-N 2 0 265.401 1.071 10 0 CDAERP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CCCCCC[NH3+] ZINC000251792423 300310340 /nfs/dbraw/zinc/31/03/40/300310340.db2.gz NMBUIRMOKMDONE-GJZGRUSLSA-N 2 0 281.444 1.981 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH+](C)CC=C(C)C ZINC001669916389 1173631128 /nfs/dbraw/zinc/63/11/28/1173631128.db2.gz YPKKJJJYGRSGJG-CQSZACIVSA-N 2 0 269.433 1.731 10 0 CDAERP Cc1cncn1CC(=O)N(C)CCC[NH2+]CC(C)C ZINC001670178875 1173660273 /nfs/dbraw/zinc/66/02/73/1173660273.db2.gz AKKCVQSVLTYVPW-UHFFFAOYSA-N 2 0 266.389 1.286 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@@](C)(C[NH2+]C/C=C/Cl)C1 ZINC001671779822 1173711319 /nfs/dbraw/zinc/71/13/19/1173711319.db2.gz NFYMIIJJGWVZSE-GBXSZLQWSA-N 2 0 287.835 1.519 10 0 CDAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@](C)(C[NH2+]C/C=C\Cl)C2)C1 ZINC001671811465 1173713702 /nfs/dbraw/zinc/71/37/02/1173713702.db2.gz ZGZXASNHCBWPRK-OHGBZRADSA-N 2 0 299.846 1.519 10 0 CDAERP CCC[N@H+](CC(=O)N(C)C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000576949404 317237540 /nfs/dbraw/zinc/23/75/40/317237540.db2.gz KUKPLOMRGYPTMX-UHFFFAOYSA-N 2 0 289.423 1.633 10 0 CDAERP C[NH+](C)[C@H](CNC(=O)c1ccccc1CC[NH3+])C1CC1 ZINC000577287941 317302545 /nfs/dbraw/zinc/30/25/45/317302545.db2.gz PJTXPUSBBXLZMK-OAHLLOKOSA-N 2 0 275.396 1.258 10 0 CDAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000578996802 324077253 /nfs/dbraw/zinc/07/72/53/324077253.db2.gz HJJQUSRDIIHEAI-KKNUOHPOSA-N 2 0 279.428 1.589 10 0 CDAERP C[NH2+][C@H]1CCCN(C(=O)c2ccccc2CC[NH3+])C1 ZINC000580088070 324365582 /nfs/dbraw/zinc/36/55/82/324365582.db2.gz PSJRRKWJDIXXAA-ZDUSSCGKSA-N 2 0 261.369 1.012 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)NCC(C)(C)C[NH+]2CCCC2)C1 ZINC000583762153 325236862 /nfs/dbraw/zinc/23/68/62/325236862.db2.gz LZMMMTMGENTDFB-CQSZACIVSA-N 2 0 281.444 1.566 10 0 CDAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000584102734 326956303 /nfs/dbraw/zinc/95/63/03/326956303.db2.gz JKBCHCJUBVIYLZ-VXGQWTEUSA-N 2 0 294.443 1.301 10 0 CDAERP CC(C)C[C@H](CN[C@H](C)[C@@H]1CCC[NH2+]C1)[NH+](C)C ZINC000584225903 327068439 /nfs/dbraw/zinc/06/84/39/327068439.db2.gz IYRTVSQOZQOTPV-RBSFLKMASA-N 2 0 255.450 1.940 10 0 CDAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC[NH2+]1 ZINC000584527983 329513075 /nfs/dbraw/zinc/51/30/75/329513075.db2.gz SYMAKFFUNKDRDL-BYNSBNAKSA-N 2 0 279.428 1.223 10 0 CDAERP CC(C)OCC[NH2+][C@H]1C[C@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001725591328 1159257805 /nfs/dbraw/zinc/25/78/05/1159257805.db2.gz LUYGQHRVSGSTBE-GJZGRUSLSA-N 2 0 297.443 1.086 10 0 CDAERP CC(C)CC[NH2+]CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001691451460 1159311324 /nfs/dbraw/zinc/31/13/24/1159311324.db2.gz ZEXLPDUTFDTXJP-UHFFFAOYSA-N 2 0 269.433 1.422 10 0 CDAERP CC/C=C\CC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001267616821 1159542166 /nfs/dbraw/zinc/54/21/66/1159542166.db2.gz DFIFTAXBNBICCK-IYKSTZQJSA-N 2 0 281.444 1.875 10 0 CDAERP CC(C)[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001482482849 1160322747 /nfs/dbraw/zinc/32/27/47/1160322747.db2.gz NHIZHABBUZODMQ-HUUCEWRRSA-N 2 0 283.460 1.952 10 0 CDAERP COCC(C)(C)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668784882 482313987 /nfs/dbraw/zinc/31/39/87/482313987.db2.gz JZPNOMLEGJVJQH-CQSZACIVSA-N 2 0 272.433 1.702 10 0 CDAERP [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000227374122 482449613 /nfs/dbraw/zinc/44/96/13/482449613.db2.gz RMOOLKIXYJULQL-BFHYXJOUSA-N 2 0 265.401 1.058 10 0 CDAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CSC[C@@H]1C ZINC000668476181 482450475 /nfs/dbraw/zinc/45/04/75/482450475.db2.gz ZGUJHMINBNGOAE-IHRRRGAJSA-N 2 0 273.490 1.600 10 0 CDAERP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(OCC(C)C)CC1 ZINC000652337114 482462698 /nfs/dbraw/zinc/46/26/98/482462698.db2.gz KSRQKZQWSMUDPE-CQSZACIVSA-N 2 0 258.406 1.094 10 0 CDAERP c1cc(C[N@@H+]2CC[C@H]3COC[C@H]3C2)n(-c2cc[nH+]cc2)n1 ZINC000668705797 482505183 /nfs/dbraw/zinc/50/51/83/482505183.db2.gz NGPRGWNDSQRAIQ-UONOGXRCSA-N 2 0 284.363 1.736 10 0 CDAERP CC(C)C[C@H]([NH3+])CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000666614236 482816265 /nfs/dbraw/zinc/81/62/65/482816265.db2.gz XTTUDKSULJFCKD-GJZGRUSLSA-N 2 0 269.433 1.156 10 0 CDAERP [NH3+]CC1(CC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)CCCCC1 ZINC000335849377 482876987 /nfs/dbraw/zinc/87/69/87/482876987.db2.gz FDMNRPXZJJGGRC-QGZVFWFLSA-N 2 0 293.455 1.888 10 0 CDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000251680028 483074727 /nfs/dbraw/zinc/07/47/27/483074727.db2.gz HTXVBXLADOCCJJ-SYQHCUMBSA-N 2 0 265.401 1.057 10 0 CDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC000674928307 483191449 /nfs/dbraw/zinc/19/14/49/483191449.db2.gz BQERIMSLNJNGNG-CABCVRRESA-N 2 0 296.459 1.358 10 0 CDAERP CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000682446865 483231327 /nfs/dbraw/zinc/23/13/27/483231327.db2.gz IEUCFNWDFCKHQI-AWEZNQCLSA-N 2 0 284.448 1.454 10 0 CDAERP C[NH+](C)C[C@H]1CCN(Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667628887 483359054 /nfs/dbraw/zinc/35/90/54/483359054.db2.gz SUOZJCFCTQIFMV-CQSZACIVSA-N 2 0 285.395 1.651 10 0 CDAERP CC[NH+](CC)C[C@@H]1CCN(Cc2cnn3c2CCC3)C1 ZINC000667673023 483378287 /nfs/dbraw/zinc/37/82/87/483378287.db2.gz NIXOMMIUSTZAOD-AWEZNQCLSA-N 2 0 276.428 1.993 10 0 CDAERP CN1CC[NH+](CCCC[NH2+][C@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667783768 483424489 /nfs/dbraw/zinc/42/44/89/483424489.db2.gz ZJQDGYLDRLBLIU-CVEARBPZSA-N 2 0 281.444 1.171 10 0 CDAERP c1ccc2c(c1)CC[C@H](C[NH+]1C[C@@H]3C[NH2+]C[C@H]3C1)C2 ZINC000679815966 483440379 /nfs/dbraw/zinc/44/03/79/483440379.db2.gz PCIMXAQWTLJVAP-JQFCIGGWSA-N 2 0 256.393 1.943 10 0 CDAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667851567 483459931 /nfs/dbraw/zinc/45/99/31/483459931.db2.gz RVVULJHJTKLPIC-OIISXLGYSA-N 2 0 295.471 1.417 10 0 CDAERP C[C@@H]([NH2+]C[C@H](C)CO)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000680401346 483611001 /nfs/dbraw/zinc/61/10/01/483611001.db2.gz TXUYDKYOCRDZJK-MJBXVCDLSA-N 2 0 254.418 1.857 10 0 CDAERP CC(C)CC[N@H+](C)CCn1cc(C[NH2+]C(C)C)nn1 ZINC000052545882 519651030 /nfs/dbraw/zinc/65/10/30/519651030.db2.gz GSKQFNZYDADLMR-UHFFFAOYSA-N 2 0 267.421 1.754 10 0 CDAERP C[C@@H](C[NH2+]CCC1CC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001483272403 1160888827 /nfs/dbraw/zinc/88/88/27/1160888827.db2.gz VYRSBBWITOPBDN-ZDUSSCGKSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)c1cccc(C[NH3+])c1 ZINC000049192231 519793423 /nfs/dbraw/zinc/79/34/23/519793423.db2.gz FSAFYIRWUNBTHV-CQSZACIVSA-N 2 0 263.385 1.461 10 0 CDAERP CCC[NH2+]CC1(C[N@H+](CCC)CCO)CCOCC1 ZINC000052182902 519909227 /nfs/dbraw/zinc/90/92/27/519909227.db2.gz VGPJITFADHFEPW-UHFFFAOYSA-N 2 0 272.433 1.487 10 0 CDAERP CC[NH2+]CC1(C[N@H+](CCO)C(CC)CC)CCOCC1 ZINC000052183523 519913215 /nfs/dbraw/zinc/91/32/15/519913215.db2.gz CTBFIZDLRWWXGL-UHFFFAOYSA-N 2 0 286.460 1.876 10 0 CDAERP CCC[NH2+]C[C@H](C)C[N@H+](CCOC)[C@@H](C)COC ZINC000052572295 519932003 /nfs/dbraw/zinc/93/20/03/519932003.db2.gz VFOMFMWRYAJGSM-KBPBESRZSA-N 2 0 260.422 1.605 10 0 CDAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001483676786 1161055291 /nfs/dbraw/zinc/05/52/91/1161055291.db2.gz LNBTYVZLQPFBOV-GDBMZVCRSA-N 2 0 289.423 1.890 10 0 CDAERP CCCN[C@H](CC[NH+]1CCC(C[NH+](C)C)CC1)C(=O)OC ZINC000062460600 520074608 /nfs/dbraw/zinc/07/46/08/520074608.db2.gz VUHRPCSKSCLPBT-OAHLLOKOSA-N 2 0 299.459 1.191 10 0 CDAERP CCO[C@@H](C[NH3+])CC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000062741097 520306733 /nfs/dbraw/zinc/30/67/33/520306733.db2.gz JWDIDTDSDJRQTE-CQSZACIVSA-N 3 0 257.422 1.014 10 0 CDAERP CC[N@H+](CCOC)CCOc1ccc(C[NH2+]C)cc1 ZINC000052542714 521135749 /nfs/dbraw/zinc/13/57/49/521135749.db2.gz YWFDPGIXIXAJBM-UHFFFAOYSA-N 2 0 266.385 1.753 10 0 CDAERP CC[C@H](C)C[NH2+][C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001713316720 1178492575 /nfs/dbraw/zinc/49/25/75/1178492575.db2.gz XOKAEAMVERBKCG-QWHCGFSZSA-N 2 0 269.433 1.611 10 0 CDAERP CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@@H](C)[C@@H]2[NH3+])CC1 ZINC000055129387 521555708 /nfs/dbraw/zinc/55/57/08/521555708.db2.gz OCKSXKVXNFRMPR-SNPRPXQTSA-N 2 0 281.444 1.693 10 0 CDAERP CCC[N@H+](C)CCN(C(=O)[C@H]1CC[NH+](C)C1)C(C)C ZINC001486379890 1161453409 /nfs/dbraw/zinc/45/34/09/1161453409.db2.gz SDAMDTGPWUWDKV-AWEZNQCLSA-N 2 0 269.433 1.517 10 0 CDAERP CCC[N@H+](CCO)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052182910 521666665 /nfs/dbraw/zinc/66/66/65/521666665.db2.gz IAKCLWMWTGSKMH-UHFFFAOYSA-N 2 0 286.460 1.876 10 0 CDAERP C[NH2+]Cc1cc(C[NH+](CCOC)CCOC)c(C)o1 ZINC000052571505 522106762 /nfs/dbraw/zinc/10/67/62/522106762.db2.gz DMVAEHKNIRYOQR-UHFFFAOYSA-N 2 0 270.373 1.402 10 0 CDAERP CC[C@@H]1CC[C@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423516768 535824765 /nfs/dbraw/zinc/82/47/65/535824765.db2.gz XMGOGNNSILJLRJ-PRLABOORSA-N 2 0 265.445 1.981 10 0 CDAERP CC(C)[N@H+](C)CCCCNC(=O)c1ccc(NN)[nH+]c1 ZINC000051116007 519617776 /nfs/dbraw/zinc/61/77/76/519617776.db2.gz DCKAJCGBSXYPTK-UHFFFAOYSA-N 2 0 279.388 1.217 10 0 CDAERP CC(C)C[NH+]1CCN([C@@H](c2ccncc2)[C@@H](C)[NH3+])CC1 ZINC000055077492 519727579 /nfs/dbraw/zinc/72/75/79/519727579.db2.gz RDODXKGOFVOJPM-GDBMZVCRSA-N 2 0 276.428 1.744 10 0 CDAERP CC(C)[NH2+]Cc1cn(CC[NH+]2C[C@H](C)C[C@@H](C)C2)nn1 ZINC000052420720 519728392 /nfs/dbraw/zinc/72/83/92/519728392.db2.gz SVYSJDKRDNSRQW-ZIAGYGMSSA-N 2 0 279.432 1.754 10 0 CDAERP CC[NH2+]C(C)(C)CN1CC[NH+](C2CCCC2)CC1 ZINC000061299969 519908139 /nfs/dbraw/zinc/90/81/39/519908139.db2.gz WKMHHNLNNIZEBQ-UHFFFAOYSA-N 2 0 253.434 1.935 10 0 CDAERP CC[NH2+]C(C)(C)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000061292064 519908292 /nfs/dbraw/zinc/90/82/92/519908292.db2.gz PJLMXQPDHSQMGH-UHFFFAOYSA-N 2 0 293.411 1.954 10 0 CDAERP CCC[NH2+]CC1CC[NH+](C[C@@H](O)COCC)CC1 ZINC000069280290 519911900 /nfs/dbraw/zinc/91/19/00/519911900.db2.gz DYXXWKIYBIWINK-CQSZACIVSA-N 2 0 258.406 1.095 10 0 CDAERP CCC[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000052418425 519912339 /nfs/dbraw/zinc/91/23/39/519912339.db2.gz LESPLGUJMXGLOF-UHFFFAOYSA-N 2 0 277.416 1.378 10 0 CDAERP CC[NH2+]C[C@H](C)C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000061266051 519960093 /nfs/dbraw/zinc/96/00/93/519960093.db2.gz MYZWFWHYZSHYJS-AWEZNQCLSA-N 2 0 283.460 1.811 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@@H](CN2CCC([NH+](C)C)CC2)O1 ZINC000052477784 519978000 /nfs/dbraw/zinc/97/80/00/519978000.db2.gz DKARFKDRIWEPAP-CABCVRRESA-N 2 0 269.433 1.170 10 0 CDAERP CC[NH2+]C[C@H]1CC[C@H](CN2CC[NH+](C3CCCC3)CC2)O1 ZINC000052573547 519981428 /nfs/dbraw/zinc/98/14/28/519981428.db2.gz PQMQGUDRNYWOBT-IAGOWNOFSA-N 2 0 295.471 1.704 10 0 CDAERP CC[NH2+][C@@H](C)CC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000061273618 520066292 /nfs/dbraw/zinc/06/62/92/520066292.db2.gz YLEVNXATXFNILY-DZGCQCFKSA-N 2 0 277.412 1.794 10 0 CDAERP CC[NH2+][C@@H](C)[C@H]1CCC[N@H+](CCCC(=O)NC)C1 ZINC000068815675 520074175 /nfs/dbraw/zinc/07/41/75/520074175.db2.gz JLUHYOUTPLNFBN-STQMWFEESA-N 2 0 255.406 1.223 10 0 CDAERP CCC[NH2+][C@H]1CCC[C@@H]1N1CCN(CC[NH+](C)C)CC1 ZINC000061644031 520092404 /nfs/dbraw/zinc/09/24/04/520092404.db2.gz WPFUXVUBDBHYBR-HOTGVXAUSA-N 2 0 282.476 1.086 10 0 CDAERP CC[NH2+][C@](C)(C[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1)C(=O)[O-] ZINC000068632233 520239413 /nfs/dbraw/zinc/23/94/13/520239413.db2.gz MFNGIDRKQZLJAH-XJKSGUPXSA-N 2 0 299.459 1.491 10 0 CDAERP CCO[C@H]1CCC[N@H+](Cc2cccnc2C(N)=[NH2+])C1 ZINC000061658247 520526107 /nfs/dbraw/zinc/52/61/07/520526107.db2.gz CXYOCBNEVFMFLR-LBPRGKRZSA-N 2 0 262.357 1.367 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)[C@H](C)C[NH2+]CC)CC1 ZINC000061230697 520573698 /nfs/dbraw/zinc/57/36/98/520573698.db2.gz WARWAFLLJFKBNN-CYBMUJFWSA-N 2 0 269.433 1.613 10 0 CDAERP CC[NH+](CC)CCNC(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050931364 520670075 /nfs/dbraw/zinc/67/00/75/520670075.db2.gz WMJRYGGQSHEBEG-CYBMUJFWSA-N 2 0 255.406 1.367 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000340930396 520855350 /nfs/dbraw/zinc/85/53/50/520855350.db2.gz ABDIGHSSTVHVKI-MGPQQGTHSA-N 2 0 284.448 1.499 10 0 CDAERP CC[N@H+](CCn1cc(C[NH2+]C(C)(C)C)nn1)[C@@H](C)COC ZINC000052504877 521184677 /nfs/dbraw/zinc/18/46/77/521184677.db2.gz KFILTMJPFGTBGE-ZDUSSCGKSA-N 2 0 297.447 1.523 10 0 CDAERP CC[N@H+](CCn1cc(C[NH3+])nn1)C1CCCCC1 ZINC000052420090 521185358 /nfs/dbraw/zinc/18/53/58/521185358.db2.gz JLNBHGZIWKTDFZ-UHFFFAOYSA-N 2 0 251.378 1.391 10 0 CDAERP CCOC(=O)[C@](C)(N)C[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000068632214 521330098 /nfs/dbraw/zinc/33/00/98/521330098.db2.gz VGDDTIWRLIRAPI-XJKSGUPXSA-N 2 0 299.459 1.319 10 0 CDAERP CCCN(CC[NH+](C)C)C(=O)[C@@H]1CCC[C@H](C)[C@@H]1[NH3+] ZINC000055139754 521654073 /nfs/dbraw/zinc/65/40/73/521654073.db2.gz INJVDNACEFYCRZ-MJBXVCDLSA-N 2 0 269.433 1.550 10 0 CDAERP CCCN(CCn1cc(C[NH2+]C(C)C)nn1)CC[NH+](C)C ZINC000052544208 521656719 /nfs/dbraw/zinc/65/67/19/521656719.db2.gz ZUGJSSBVVBHZFR-UHFFFAOYSA-N 2 0 296.463 1.050 10 0 CDAERP C[NH+](C)CCOC[C@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1 ZINC000052669874 521795601 /nfs/dbraw/zinc/79/56/01/521795601.db2.gz MJJRPJYQJDYXTG-QWHCGFSZSA-N 2 0 258.406 1.500 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1C(=O)CC[NH2+]C(C)(C)C ZINC000061645113 521830316 /nfs/dbraw/zinc/83/03/16/521830316.db2.gz CLEPEOILRFMCAB-LBPRGKRZSA-N 2 0 255.406 1.317 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1CCOc1ccc(CC[NH3+])cc1 ZINC000061642506 521836539 /nfs/dbraw/zinc/83/65/39/521836539.db2.gz GOKLVZGBLOUBOZ-INIZCTEOSA-N 2 0 291.439 1.593 10 0 CDAERP C[NH+](C)C[C@@H]1CCCN1[C@@H](C[NH3+])c1cccc(F)c1 ZINC000061642110 521843171 /nfs/dbraw/zinc/84/31/71/521843171.db2.gz BYMUTYDCRMMIKC-GJZGRUSLSA-N 2 0 265.376 1.852 10 0 CDAERP CC[C@@H](C)[NH+]1CCN(Cc2ccc(NN)[nH+]c2)CC1 ZINC000055071356 522126571 /nfs/dbraw/zinc/12/65/71/522126571.db2.gz VUDFARLBAWTVHD-GFCCVEGCSA-N 2 0 263.389 1.283 10 0 CDAERP C[NH2+]Cc1cccc(C[N@H+](C)C2CCN(C)CC2)c1 ZINC000052419807 522128696 /nfs/dbraw/zinc/12/86/96/522128696.db2.gz LDRXXQUDBLFPAB-UHFFFAOYSA-N 2 0 261.413 1.932 10 0 CDAERP CC[C@H]([NH3+])[C@@H](c1cccnc1)N1CCC[C@@H]1C[NH+](C)C ZINC000061642235 522339387 /nfs/dbraw/zinc/33/93/87/522339387.db2.gz AIHBDOGBJXBDMO-OWCLPIDISA-N 2 0 276.428 1.886 10 0 CDAERP CC[C@@H]([NH3+])[C@@H](c1cnn(C)c1)N1CCC[C@@H]1C[NH+](C)C ZINC000061641977 522650641 /nfs/dbraw/zinc/65/06/41/522650641.db2.gz ROYCUWMDSPQPAR-RBSFLKMASA-N 2 0 279.432 1.225 10 0 CDAERP CC[C@@H]([NH3+])[C@H](N1CCN(CC[NH+](C)C)CC1)C(C)(C)C ZINC000061642371 522651154 /nfs/dbraw/zinc/65/11/54/522651154.db2.gz CRJYVJBFBLGZFF-CABCVRRESA-N 2 0 284.492 1.318 10 0 CDAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000792044921 1162259234 /nfs/dbraw/zinc/25/92/34/1162259234.db2.gz REPUIRILBQNAFU-HUUCEWRRSA-N 2 0 298.475 1.890 10 0 CDAERP C[NH+]1CCCC[C@H]1CNCC[C@H]1CCCC[N@H+]1C ZINC000052206136 523793972 /nfs/dbraw/zinc/79/39/72/523793972.db2.gz LFOMXFDIXRMXCP-CABCVRRESA-N 2 0 253.434 1.935 10 0 CDAERP CN1CC[NH+](C[C@@H]2CC[C@@H](C[NH2+]C(C)(C)C)O2)CC1 ZINC000052379550 523904647 /nfs/dbraw/zinc/90/46/47/523904647.db2.gz JPMIBNZBNYFHHF-KBPBESRZSA-N 2 0 269.433 1.170 10 0 CDAERP CC[C@H](C)[NH+]1CCN([C@@H](CC)C[NH2+]C2CC2)CC1 ZINC000055074628 523958298 /nfs/dbraw/zinc/95/82/98/523958298.db2.gz MZTSXTUDRVKTCE-ZFWWWQNUSA-N 2 0 253.434 1.933 10 0 CDAERP C[NH+](C)C1CCN([C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000069265959 524041006 /nfs/dbraw/zinc/04/10/06/524041006.db2.gz OFERIODJWDSIMC-MRXNPFEDSA-N 2 0 259.397 1.857 10 0 CDAERP C[C@H](C[NH+]1CCCC1)NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000055090493 524313528 /nfs/dbraw/zinc/31/35/28/524313528.db2.gz GTHGKPGUFYCGSO-AGIUHOORSA-N 2 0 253.390 1.104 10 0 CDAERP C[C@H]1CC[C@@H](C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)C[C@@H]1[NH3+] ZINC000055131518 524328663 /nfs/dbraw/zinc/32/86/63/524328663.db2.gz PQZKVEVZDUIECE-DGAVXFQQSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@H]1CC[C@@H](C[NH3+])[C@H]([N@@H+]2CCC[C@@H]2CN(C)C)C1 ZINC000061642534 524352002 /nfs/dbraw/zinc/35/20/02/524352002.db2.gz VGMOBCXZYCLBBJ-BYNSBNAKSA-N 2 0 253.434 1.776 10 0 CDAERP C[C@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)NCC[NH+]1CCCCCC1 ZINC000055136245 524415181 /nfs/dbraw/zinc/41/51/81/524415181.db2.gz DHTNEWGERBIIKE-KKUMJFAQSA-N 2 0 281.444 1.742 10 0 CDAERP C[C@H](CNC(=O)[C@H]1CC[C@@H]([NH3+])C1)[NH+]1CCC(C)CC1 ZINC000236724241 524453361 /nfs/dbraw/zinc/45/33/61/524453361.db2.gz XKWXIIJGTGOXOX-HZSPNIEDSA-N 2 0 267.417 1.350 10 0 CDAERP C[C@@H](CN1CCOCC1)[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000052206011 524628601 /nfs/dbraw/zinc/62/86/01/524628601.db2.gz BGGUIFJWBSRHCD-LSDHHAIUSA-N 2 0 269.433 1.171 10 0 CDAERP COc1ccccc1[C@@H]([NH3+])CN1CCC[C@@H]1C[NH+](C)C ZINC000061643553 524735641 /nfs/dbraw/zinc/73/56/41/524735641.db2.gz IMPZNGOZUQDCFU-HIFRSBDPSA-N 2 0 277.412 1.721 10 0 CDAERP C[C@H](Cc1ccco1)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000062772241 524741530 /nfs/dbraw/zinc/74/15/30/524741530.db2.gz MGTKBDXFVRRXPM-UKRRQHHQSA-N 2 0 291.395 1.107 10 0 CDAERP C[C@]1(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[NH2+]C1 ZINC000062899593 525197493 /nfs/dbraw/zinc/19/74/93/525197493.db2.gz JMZVMFZNCYMYCV-HNNXBMFYSA-N 2 0 267.417 1.411 10 0 CDAERP C[C@@H]1C[C@H](C(=O)N(C)C2CC[NH+](C)CC2)CC[C@@H]1[NH3+] ZINC000055123250 525356195 /nfs/dbraw/zinc/35/61/95/525356195.db2.gz FEDZHIWVORDYNI-BZPMIXESSA-N 2 0 267.417 1.303 10 0 CDAERP C[C@@H]1[C@@H](C)CCC[C@@H]1[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000068632523 525645360 /nfs/dbraw/zinc/64/53/60/525645360.db2.gz SJVOQGGCYWOGDV-XGUBFFRZSA-N 2 0 281.444 1.598 10 0 CDAERP C[C@@H]1[C@@H]([NH3+])CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000055138508 525663630 /nfs/dbraw/zinc/66/36/30/525663630.db2.gz FLUXKGVMYHCPFE-XUXIUFHCSA-N 2 0 267.417 1.208 10 0 CDAERP C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc[nH+]c(NN)c1 ZINC000051092091 526249374 /nfs/dbraw/zinc/24/93/74/526249374.db2.gz BFTLZHIWELTJCB-LBPRGKRZSA-N 2 0 291.399 1.362 10 0 CDAERP O[C@@H](C[NH2+]CCc1ccsc1)C[NH+]1CCCC1 ZINC000049180870 527651819 /nfs/dbraw/zinc/65/18/19/527651819.db2.gz LRAMIVYQRMWHOM-ZDUSSCGKSA-N 2 0 254.399 1.337 10 0 CDAERP CCCNC(=O)C1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261720152 535013656 /nfs/dbraw/zinc/01/36/56/535013656.db2.gz FWXZKAIAVGWZMR-HNNXBMFYSA-N 2 0 267.417 1.224 10 0 CDAERP CC(C)C[NH+]1CCN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000232637810 535098952 /nfs/dbraw/zinc/09/89/52/535098952.db2.gz JZEOBBROVJIBBD-KBPBESRZSA-N 2 0 267.417 1.175 10 0 CDAERP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000262660411 536445645 /nfs/dbraw/zinc/44/56/45/536445645.db2.gz NLZFVKZGOZCWLY-FZKCQIBNSA-N 2 0 293.455 1.707 10 0 CDAERP COC[C@@H](CCC[NH3+])[NH2+]CC1(c2ccccn2)CCC1 ZINC000423101143 536593858 /nfs/dbraw/zinc/59/38/58/536593858.db2.gz CNIRPBWLSABKOO-CQSZACIVSA-N 2 0 277.412 1.847 10 0 CDAERP CC[N@H+](CCNC(=O)N[C@@H]1CCC[NH+](C)C1)C(C)C ZINC000726709987 574504622 /nfs/dbraw/zinc/50/46/22/574504622.db2.gz ZAUKRQLHRLADIH-CYBMUJFWSA-N 2 0 270.421 1.110 10 0 CDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=S)NCC[NH+](C)C ZINC000730731581 575003241 /nfs/dbraw/zinc/00/32/41/575003241.db2.gz GVTYCQQXVWZHKK-BETUJISGSA-N 2 0 286.489 1.275 10 0 CDAERP CCOC(=O)[C@@H]1CCC[NH2+][C@@H]1[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000757241326 577037008 /nfs/dbraw/zinc/03/70/08/577037008.db2.gz WVUTVHXVBKWGRK-UMSGYPCISA-N 2 0 254.374 1.306 10 0 CDAERP CC/C=C\CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001688897625 1175059492 /nfs/dbraw/zinc/05/94/92/1175059492.db2.gz ZSIQONHDZDCWFQ-AWFCHZOYSA-N 2 0 293.455 1.971 10 0 CDAERP CCc1nncn1CC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925516830 617426821 /nfs/dbraw/zinc/42/68/21/617426821.db2.gz SWEZDMANQSTTGX-LSDHHAIUSA-N 2 0 291.443 1.598 10 0 CDAERP CN(C)[C@@H](C[NH2+]C1[C@@H]2CC[C@H]1C[N@@H+](C)C2)c1ccco1 ZINC000924547625 617437592 /nfs/dbraw/zinc/43/75/92/617437592.db2.gz SJDBDZQKYRGETI-OJEWEXDKSA-N 2 0 277.412 1.812 10 0 CDAERP [NH3+][C@@H]1C[C@H]([NH2+]CC2(CCO)CCCC2)C12CCC2 ZINC000925526040 617448760 /nfs/dbraw/zinc/44/87/60/617448760.db2.gz HDSVREPQQKDZGD-OLZOCXBDSA-N 2 0 252.402 1.789 10 0 CDAERP C[NH+]1CCN(CCC[NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)CC1 ZINC000924577167 617525672 /nfs/dbraw/zinc/52/56/72/617525672.db2.gz DEPZIDVKZXEFFT-XHSDSOJGSA-N 2 0 263.429 1.568 10 0 CDAERP O[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)C1CCOCC1 ZINC000925619404 617565386 /nfs/dbraw/zinc/56/53/86/617565386.db2.gz NGCBKCOWTPXHFI-GVDBMIGSSA-N 2 0 296.455 1.532 10 0 CDAERP CC(C)C(=O)NCCC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925627136 617574229 /nfs/dbraw/zinc/57/42/29/617574229.db2.gz WYJWOAWGWORJKQ-HOTGVXAUSA-N 2 0 295.471 1.907 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@H]2CCCCS2(=O)=O)C1 ZINC000925635051 617581008 /nfs/dbraw/zinc/58/10/08/617581008.db2.gz NZCNMVIYFYPPCZ-JHJVBQTASA-N 2 0 288.457 1.449 10 0 CDAERP CCNC(=O)C1(CN[C@@H]2CC[NH2+]C23CCCC3)CCC1 ZINC000925649307 617593048 /nfs/dbraw/zinc/59/30/48/617593048.db2.gz DBJWCJIRMFASKR-CYBMUJFWSA-N 2 0 279.428 1.557 10 0 CDAERP CCNC(=O)C1(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CCC1 ZINC000925650300 617593296 /nfs/dbraw/zinc/59/32/96/617593296.db2.gz NLOFMWBHZICWQN-OLZOCXBDSA-N 2 0 281.444 1.788 10 0 CDAERP CC1(C)C[C@@H]([NH2+][C@@H](CO)C[C@H]2CCCO2)C[C@@H]([NH3+])C1 ZINC000925767858 617619255 /nfs/dbraw/zinc/61/92/55/617619255.db2.gz QRFDGMFTEBPPMQ-XJFOESAGSA-N 2 0 270.417 1.412 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)CCC(OC)OC)C[C@@H]1C ZINC000851796454 617650568 /nfs/dbraw/zinc/65/05/68/617650568.db2.gz FHISWNZLBSDCJM-STQMWFEESA-N 2 0 258.406 1.800 10 0 CDAERP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@H]1C[NH2+]CCC1(F)F ZINC000925774552 617662888 /nfs/dbraw/zinc/66/28/88/617662888.db2.gz BBSPUTNFHULONV-CMPLNLGQSA-N 2 0 298.381 1.744 10 0 CDAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCC[C@@H](CO)C1 ZINC000925689737 617688494 /nfs/dbraw/zinc/68/84/94/617688494.db2.gz IFZKSERYOIWKLO-PTPCRWCASA-N 2 0 252.402 1.643 10 0 CDAERP CC1(C)[C@@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925704282 617775025 /nfs/dbraw/zinc/77/50/25/617775025.db2.gz FPZBPQPZTGXDIE-AJNGGQMLSA-N 3 0 265.445 1.885 10 0 CDAERP C([NH2+][C@@H]1CC[NH2+]C12CCC2)C1CC[NH+](CC2CC2)CC1 ZINC000925716533 617835660 /nfs/dbraw/zinc/83/56/60/617835660.db2.gz OOZFSVSEVUEDQS-MRXNPFEDSA-N 3 0 277.456 1.983 10 0 CDAERP C[C@H]([NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)O1)C1C[NH2+]C1 ZINC000925831276 617851369 /nfs/dbraw/zinc/85/13/69/617851369.db2.gz DCDWGGQTRTWKRK-GDPRMGEGSA-N 2 0 266.307 1.684 10 0 CDAERP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)[C@@H]1C ZINC000925880382 617960750 /nfs/dbraw/zinc/96/07/50/617960750.db2.gz QMMIRWDUHQJZFM-DGTMBMJNSA-N 2 0 268.401 1.681 10 0 CDAERP C[C@@H]1NCCC[C@H]1[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925884455 617972570 /nfs/dbraw/zinc/97/25/70/617972570.db2.gz WXUCMNQDBHKREG-QMCVQRASSA-N 2 0 273.424 1.776 10 0 CDAERP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CCC[NH2+]C2CC2)C1 ZINC000923392644 618325839 /nfs/dbraw/zinc/32/58/39/618325839.db2.gz KLYLXCGBLLAAGK-VNQPRFMTSA-N 2 0 281.444 1.489 10 0 CDAERP C[NH+]1CCC(O)(C[NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)CC1 ZINC000925119528 619381405 /nfs/dbraw/zinc/38/14/05/619381405.db2.gz YFTFNXUIQJUXAA-BFHYXJOUSA-N 2 0 250.386 1.387 10 0 CDAERP COC[C@H](C)C[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000895556497 619725953 /nfs/dbraw/zinc/72/59/53/619725953.db2.gz JBHWYEMOGZLFEQ-ZIAGYGMSSA-N 2 0 263.385 1.875 10 0 CDAERP C[C@@H]1CC2(CC([NH2+]C3CCN(CC[NH+](C)C)CC3)C2)CO1 ZINC000924630698 621609036 /nfs/dbraw/zinc/60/90/36/621609036.db2.gz AHCQPPQRBYUJTI-ODIFPOPNSA-N 2 0 295.471 1.560 10 0 CDAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC000898838332 621887994 /nfs/dbraw/zinc/88/79/94/621887994.db2.gz FFSKWLNLMCWNIY-QWHCGFSZSA-N 2 0 267.417 1.317 10 0 CDAERP C[C@H](NC(=[NH2+])NC[C@H]1CCCC[N@@H+]1C1CC1)C1CC1 ZINC000899271593 622136680 /nfs/dbraw/zinc/13/66/80/622136680.db2.gz HIGSCZYXQJGMES-SMDDNHRTSA-N 2 0 264.417 1.916 10 0 CDAERP C[NH+](C)CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000899920135 622530262 /nfs/dbraw/zinc/53/02/62/622530262.db2.gz KYEWBYZJVUTMRR-CHWSQXEVSA-N 2 0 253.390 1.071 10 0 CDAERP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C[C@H]2CCC[NH2+]2)C1 ZINC000903460812 625995785 /nfs/dbraw/zinc/99/57/85/625995785.db2.gz JEKJEALKVGQGAX-APIJFGDWSA-N 2 0 267.417 1.099 10 0 CDAERP CCOC(=O)C1CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903455354 626001876 /nfs/dbraw/zinc/00/18/76/626001876.db2.gz VKBKDQJNOVMHJL-YPMHNXCESA-N 2 0 254.374 1.117 10 0 CDAERP CCOC(=O)CCCCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903471204 626004037 /nfs/dbraw/zinc/00/40/37/626004037.db2.gz RTFPCACOGFNMRF-ZDUSSCGKSA-N 2 0 268.401 1.984 10 0 CDAERP COCC[N@H+](C[C@@H]1C[NH2+]C[C@H]1C)CC1CC[NH+](C)CC1 ZINC000903476715 626005136 /nfs/dbraw/zinc/00/51/36/626005136.db2.gz GXJATRYOJSXHOO-ZBFHGGJFSA-N 3 0 283.460 1.132 10 0 CDAERP C([NH2+][C@H]1CC[NH2+]C12CCCC2)[C@@H]1C[C@@]12CCOC2 ZINC000903481956 626006203 /nfs/dbraw/zinc/00/62/03/626006203.db2.gz RVOCUZXNQQMHFM-MELADBBJSA-N 2 0 250.386 1.677 10 0 CDAERP O=S1(=O)CCC(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000903485065 626007543 /nfs/dbraw/zinc/00/75/43/626007543.db2.gz ZSUUGVYQUFFTRY-CYBMUJFWSA-N 2 0 286.441 1.076 10 0 CDAERP COC(=O)[C@@H](c1ccccc1F)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903498785 626008840 /nfs/dbraw/zinc/00/88/40/626008840.db2.gz DTEMGAYIZDOJAQ-LALPHHSUSA-N 2 0 294.370 1.957 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@H](C)c1ccncc1)C2 ZINC000903492414 626011115 /nfs/dbraw/zinc/01/11/15/626011115.db2.gz CHQYQCLAVNMJNW-UJDVCPFMSA-N 2 0 289.379 1.355 10 0 CDAERP CC[C@H](C)C[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903492729 626011223 /nfs/dbraw/zinc/01/12/23/626011223.db2.gz RBMYTEXBJLYBQV-FMSGJZPZSA-N 2 0 254.374 1.245 10 0 CDAERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ccnc(C)c1)C2 ZINC000903494921 626011470 /nfs/dbraw/zinc/01/14/70/626011470.db2.gz QPFSXWCTBNOLCU-LZWOXQAQSA-N 2 0 289.379 1.102 10 0 CDAERP C[C@@H](C(=O)NCc1cccs1)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496361 626011952 /nfs/dbraw/zinc/01/19/52/626011952.db2.gz LIVQTXLLDKCIRM-FRRDWIJNSA-N 2 0 295.452 1.670 10 0 CDAERP [NH3+][C@@H]1CC[C@H](CN2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)C1 ZINC000903540698 626016378 /nfs/dbraw/zinc/01/63/78/626016378.db2.gz FXAGQAYINGNDCB-VLEAKVRGSA-N 2 0 265.323 1.325 10 0 CDAERP CC(C)c1nnc2n1CCN(C[C@@H]1CC[C@H]([NH3+])C1)[C@H]2C ZINC000903577489 626029876 /nfs/dbraw/zinc/02/98/76/626029876.db2.gz NBWUUDVRDGKSDU-XQQFMLRXSA-N 2 0 277.416 1.906 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[NH+]2C[C@H](C)S[C@@H](C)C2)cnn1C ZINC000903888526 626123624 /nfs/dbraw/zinc/12/36/24/626123624.db2.gz DZMJGDJZHWROSS-SGMGOOAPSA-N 2 0 296.484 1.672 10 0 CDAERP C(CC1CC[NH2+]CC1)CN1CCC[C@]12CC[NH2+]C2 ZINC000903872430 626126632 /nfs/dbraw/zinc/12/66/32/626126632.db2.gz ZMRVAJHNDBTKIC-OAHLLOKOSA-N 2 0 251.418 1.594 10 0 CDAERP CCC[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC[NH2+]CC1 ZINC000903873341 626127386 /nfs/dbraw/zinc/12/73/86/626127386.db2.gz HFUUWDSEHFTTKK-GOOCMWNKSA-N 3 0 265.445 1.981 10 0 CDAERP CC(C)C[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)C1CC1 ZINC000903884029 626132627 /nfs/dbraw/zinc/13/26/27/626132627.db2.gz PRGRLSRUGQDQGG-AWEZNQCLSA-N 2 0 277.416 1.823 10 0 CDAERP C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903892658 626134668 /nfs/dbraw/zinc/13/46/68/626134668.db2.gz KXORFMUEWGUKLS-YJBUHQLJSA-N 2 0 288.457 1.270 10 0 CDAERP CC[C@@H]1CCC[N@@H+]1C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903903800 626140327 /nfs/dbraw/zinc/14/03/27/626140327.db2.gz NJPMGBINKRFLID-DZGCQCFKSA-N 2 0 264.417 1.720 10 0 CDAERP COc1ccccc1[C@H]1C[NH2+]CCN1C[C@@H]([NH3+])CC(F)F ZINC000903906610 626141093 /nfs/dbraw/zinc/14/10/93/626141093.db2.gz WLOSGNYZGNGVHP-WCQYABFASA-N 2 0 299.365 1.624 10 0 CDAERP Cc1c(C[C@H](C[NH3+])C[NH2+]C2CCCCC2)cnn1C ZINC000903923329 626148361 /nfs/dbraw/zinc/14/83/61/626148361.db2.gz QQCWXSDBFOFFPA-CYBMUJFWSA-N 2 0 264.417 1.768 10 0 CDAERP CN1c2ccccc2C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1=O ZINC000903934701 626153500 /nfs/dbraw/zinc/15/35/00/626153500.db2.gz IXIXOEALMHNCLT-VHRNVKJDSA-N 2 0 299.418 1.996 10 0 CDAERP [NH3+][C@H](CC(F)F)CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000903934226 626153587 /nfs/dbraw/zinc/15/35/87/626153587.db2.gz DZBGBMIOLWCBSE-OLZOCXBDSA-N 2 0 291.386 1.059 10 0 CDAERP C[N@H+](CCCCCC[NH3+])CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903937214 626155403 /nfs/dbraw/zinc/15/54/03/626155403.db2.gz DZKWKEVWGGOPPD-GOOCMWNKSA-N 3 0 253.434 1.968 10 0 CDAERP COC(=O)C(C)(C)CCN[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903969598 626167280 /nfs/dbraw/zinc/16/72/80/626167280.db2.gz HOZSRYVSFYMYEK-CYBMUJFWSA-N 2 0 298.427 1.324 10 0 CDAERP CCOc1cccc(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000903974160 626169022 /nfs/dbraw/zinc/16/90/22/626169022.db2.gz KMFJZABOWGXUDK-CHWSQXEVSA-N 2 0 263.385 1.816 10 0 CDAERP Cc1nn(C)c(Cl)c1C[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903975138 626169615 /nfs/dbraw/zinc/16/96/15/626169615.db2.gz YBGSRJGMYLDLMR-MWLCHTKSSA-N 2 0 270.808 1.717 10 0 CDAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000903978947 626170251 /nfs/dbraw/zinc/17/02/51/626170251.db2.gz PEVNLRBRIGYOPJ-ZIAGYGMSSA-N 3 0 273.424 1.668 10 0 CDAERP C[C@H]1C[C@H](CN2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CC[NH2+]1 ZINC000903982916 626172378 /nfs/dbraw/zinc/17/23/78/626172378.db2.gz ZMWYFLXELPDDHN-LNFKQOIKSA-N 2 0 265.323 1.196 10 0 CDAERP CC(C)C[N@H+](C)CCCNC(=[NH2+])NC[C@@H]1CCCS1 ZINC000905045224 626383636 /nfs/dbraw/zinc/38/36/36/626383636.db2.gz XIOBFALHRFHDPR-ZDUSSCGKSA-N 2 0 286.489 1.974 10 0 CDAERP C[C@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH+]1CCCCC1 ZINC000907340408 627603732 /nfs/dbraw/zinc/60/37/32/627603732.db2.gz KDWHLHFWTGRQAS-CQSZACIVSA-N 2 0 279.428 1.463 10 0 CDAERP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000907520371 627712962 /nfs/dbraw/zinc/71/29/62/627712962.db2.gz ZKLGWZHHKDKMOI-YJNKXOJESA-N 2 0 279.428 1.602 10 0 CDAERP C[NH+]1CCC2(CCCN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC000907959753 627927148 /nfs/dbraw/zinc/92/71/48/627927148.db2.gz KJVZJRRWTLSDPZ-UHFFFAOYSA-N 2 0 291.439 1.417 10 0 CDAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)C[C@@]1(O)CCC[NH+](C)C1 ZINC000908304443 628134021 /nfs/dbraw/zinc/13/40/21/628134021.db2.gz VHULSWWQNVVBLL-ZBFHGGJFSA-N 2 0 299.459 1.070 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC([NH+]2CCC2)CC1 ZINC000912878910 630262459 /nfs/dbraw/zinc/26/24/59/630262459.db2.gz HLUUKQHNOXXWSZ-UHFFFAOYSA-N 2 0 253.390 1.025 10 0 CDAERP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+]1CC[C@H](C)C1 ZINC000929462572 630647740 /nfs/dbraw/zinc/64/77/40/630647740.db2.gz USXHGMQONCOHCP-RDBSUJKOSA-N 2 0 267.417 1.175 10 0 CDAERP CC[C@@H](C(=O)NC12CC[NH+](CC1)C2)[NH+](CC)CC ZINC000913629554 630719008 /nfs/dbraw/zinc/71/90/08/630719008.db2.gz CZZOWWGSEMEPEC-LBPRGKRZSA-N 2 0 253.390 1.071 10 0 CDAERP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CCC3(COC3)O2)CCN1C ZINC000929781636 630947266 /nfs/dbraw/zinc/94/72/66/630947266.db2.gz JYDYKDPDIIFBFS-MCIONIFRSA-N 2 0 268.401 1.349 10 0 CDAERP C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)Cc1cnc[nH]1 ZINC000914441173 631479005 /nfs/dbraw/zinc/47/90/05/631479005.db2.gz DIKZIIUYQWEKBH-TZMCWYRMSA-N 2 0 278.400 1.674 10 0 CDAERP CCCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC000915717039 631803324 /nfs/dbraw/zinc/80/33/24/631803324.db2.gz LPNQNYOVWFICDQ-ZFWWWQNUSA-N 2 0 296.459 1.643 10 0 CDAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)C2(O)CCCC2)[C@@H](C)C1 ZINC000930001300 632299636 /nfs/dbraw/zinc/29/96/36/632299636.db2.gz UAFJJQDDCQEWCI-SOUVJXGZSA-N 2 0 284.444 1.315 10 0 CDAERP CC[N@@H+]1CC[C@H]1CNC(=O)N1CC[NH+](C)C[C@H]1CC(C)C ZINC000924019959 632555898 /nfs/dbraw/zinc/55/58/98/632555898.db2.gz BXHDWSGXNFYLLG-LSDHHAIUSA-N 2 0 296.459 1.452 10 0 CDAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCC(=O)N2CCCCC2)C1 ZINC000925479171 632744512 /nfs/dbraw/zinc/74/45/12/632744512.db2.gz XWUOJEUSTBSPPE-ZIAGYGMSSA-N 2 0 281.444 1.885 10 0 CDAERP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000249970811 1158583384 /nfs/dbraw/zinc/58/33/84/1158583384.db2.gz OWFHUFYXOMAPGG-RWMBFGLXSA-N 2 0 255.406 1.350 10 0 CDAERP CCCCC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001691108571 1158911879 /nfs/dbraw/zinc/91/18/79/1158911879.db2.gz MCJWXDBFUWVLRZ-OAHLLOKOSA-N 2 0 281.444 1.853 10 0 CDAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2C[C@@H]([NH2+]CCCF)C2)C1 ZINC001691123711 1158921706 /nfs/dbraw/zinc/92/17/06/1158921706.db2.gz NHMKNVCHWIINOV-MCIONIFRSA-N 2 0 285.407 1.172 10 0 CDAERP C[C@@H]1CC[C@H](C[NH2+]CCN(C)C(=O)C[N@H+](C)C2CCC2)O1 ZINC001691347786 1159029603 /nfs/dbraw/zinc/02/96/03/1159029603.db2.gz KLNCNRKKQSSDBA-UKRRQHHQSA-N 2 0 297.443 1.086 10 0 CDAERP CCCC[NH2+]C/C=C/CNC(=O)C1CC[NH+](C)CC1 ZINC001497673111 1159951785 /nfs/dbraw/zinc/95/17/85/1159951785.db2.gz DSOIZYQNLHPEBE-AATRIKPKSA-N 2 0 267.417 1.390 10 0 CDAERP CCC[NH2+]C/C=C\CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001268552106 1159968451 /nfs/dbraw/zinc/96/84/51/1159968451.db2.gz JMZXCGFRTRQJAI-ZRUQZJFASA-N 2 0 267.417 1.533 10 0 CDAERP CC(C)=CC[NH2+][C@H]1C[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001691503958 1159981290 /nfs/dbraw/zinc/98/12/90/1159981290.db2.gz MOXIHXDWCMEIOZ-SHTZXODSSA-N 2 0 293.455 1.921 10 0 CDAERP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@@H](O)C2CC2)cc1 ZINC000809750925 1163083977 /nfs/dbraw/zinc/08/39/77/1163083977.db2.gz BWLVTMPITZHFEE-MRXNPFEDSA-N 2 0 262.397 1.951 10 0 CDAERP CC(C)C[C@H](C[NH2+]C(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001271310944 1160320821 /nfs/dbraw/zinc/32/08/21/1160320821.db2.gz FTZWUHHEBGQUHO-ZIAGYGMSSA-N 2 0 269.433 1.467 10 0 CDAERP C[C@@H](C[NH2+]C/C=C\Cl)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001732434860 1160578322 /nfs/dbraw/zinc/57/83/22/1160578322.db2.gz AWNJZRDZWVVNQS-JECSTDCCSA-N 2 0 287.835 1.517 10 0 CDAERP CC[NH2+]C[C@@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001483199570 1160784087 /nfs/dbraw/zinc/78/40/87/1160784087.db2.gz NMSCTXVOQIZBLU-CYBMUJFWSA-N 2 0 255.406 1.367 10 0 CDAERP Cc1nc(F)ccc1C[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000810171591 1163174307 /nfs/dbraw/zinc/17/43/07/1163174307.db2.gz LYVZUEBWDUQDGA-LLVKDONJSA-N 2 0 260.316 1.899 10 0 CDAERP CC(C)CCOCCNC(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923498400 1161545606 /nfs/dbraw/zinc/54/56/06/1161545606.db2.gz PFTDWKLERBMNIF-LSDHHAIUSA-N 2 0 299.459 1.082 10 0 CDAERP Cc1ccccc1[C@H](O)C[NH2+]CCOCC[NH+](C)C ZINC000819210282 1164199124 /nfs/dbraw/zinc/19/91/24/1164199124.db2.gz BGKURCRAEZNFBB-OAHLLOKOSA-N 2 0 266.385 1.196 10 0 CDAERP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000864068226 1164503146 /nfs/dbraw/zinc/50/31/46/1164503146.db2.gz PIEQCDSMHKMRNY-GFCCVEGCSA-N 2 0 265.401 1.071 10 0 CDAERP CC[C@@H]1CCN(C(=[NH2+])NC[C@H]2CCC[N@@H+]2CCCO)C1 ZINC000864467686 1164549404 /nfs/dbraw/zinc/54/94/04/1164549404.db2.gz XEMPVFIDDRUMMZ-ZIAGYGMSSA-N 2 0 282.432 1.089 10 0 CDAERP Cn1ncc2cc(C[NH2+]CCCC[NH+](C)C)cnc21 ZINC000865435901 1164646701 /nfs/dbraw/zinc/64/67/01/1164646701.db2.gz RAQBNTZTKJEYTI-UHFFFAOYSA-N 2 0 261.373 1.400 10 0 CDAERP CCCCCC[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709973 1164813031 /nfs/dbraw/zinc/81/30/31/1164813031.db2.gz VCUCIXPFMDZRTD-MCIONIFRSA-N 2 0 281.400 1.434 10 0 CDAERP C[C@H]1CCN(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000867589290 1164841301 /nfs/dbraw/zinc/84/13/01/1164841301.db2.gz FLNCTSQZSSTIRS-RRFJBIMHSA-N 2 0 296.459 1.119 10 0 CDAERP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870868034 1165225331 /nfs/dbraw/zinc/22/53/31/1165225331.db2.gz ZNZMOGNURNPLCW-AIANPOQGSA-N 2 0 293.455 1.885 10 0 CDAERP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)CCC23CC(C2)C[NH2+]3)C1 ZINC000870899635 1165230521 /nfs/dbraw/zinc/23/05/21/1165230521.db2.gz CMLWDTXGSCOWOG-IQXANGCESA-N 2 0 279.428 1.508 10 0 CDAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)C1 ZINC000870943608 1165237117 /nfs/dbraw/zinc/23/71/17/1165237117.db2.gz QJVKHJHDYOZUGE-UICACZKSSA-N 2 0 285.391 1.117 10 0 CDAERP C[C@@H]1CCN(C(=O)CCC23CC(C2)C[NH2+]3)[C@H](C[NH3+])C1 ZINC000870956134 1165240691 /nfs/dbraw/zinc/24/06/91/1165240691.db2.gz JCHRQWGUVFIYST-UQJCBBSYSA-N 2 0 265.401 1.104 10 0 CDAERP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)c2ccnc(C[NH3+])c2)C1 ZINC000870994869 1165251720 /nfs/dbraw/zinc/25/17/20/1165251720.db2.gz XBBCWNQDICNYJD-INIZCTEOSA-N 2 0 290.411 1.377 10 0 CDAERP COCCN(C)C(=[NH2+])NCCC[N@H+](C)CC(C)C ZINC000871607426 1165319726 /nfs/dbraw/zinc/31/97/26/1165319726.db2.gz FDYUNCYKPSQDBF-UHFFFAOYSA-N 2 0 258.410 1.067 10 0 CDAERP CC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)[C@H]1CCCOC1 ZINC000872030935 1165374414 /nfs/dbraw/zinc/37/44/14/1165374414.db2.gz DOIRIYKBYZEMQH-IKGGRYGDSA-N 2 0 297.487 1.665 10 0 CDAERP CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)C1 ZINC000872143062 1165383749 /nfs/dbraw/zinc/38/37/49/1165383749.db2.gz KKKAKLGJGYPDDT-TUVASFSCSA-N 2 0 252.402 1.733 10 0 CDAERP C[NH2+]CCOCC[N@H+](C)C[C@@H]1CC2(CCC2)CO1 ZINC000872145711 1165384940 /nfs/dbraw/zinc/38/49/40/1165384940.db2.gz WAUCQQYBJWJLIY-ZDUSSCGKSA-N 2 0 256.390 1.113 10 0 CDAERP CCOC(=O)CCCC[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872152545 1165385506 /nfs/dbraw/zinc/38/55/06/1165385506.db2.gz SZCIOMPCALYRIH-GHMZBOCLSA-N 2 0 296.333 1.789 10 0 CDAERP C[NH+](C)CC[C@@H](NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)C(C)(C)C ZINC000872283907 1165410380 /nfs/dbraw/zinc/41/03/80/1165410380.db2.gz KDXJAWWXUKVSNP-IATRGZMQSA-N 2 0 281.444 1.596 10 0 CDAERP c1[nH]nc2c1[C@H](Nc1cc(N3CC[NH2+]CC3)cc[nH+]1)CCC2 ZINC000873241013 1165528937 /nfs/dbraw/zinc/52/89/37/1165528937.db2.gz CIFPLKBKICWLQC-CQSZACIVSA-N 2 0 298.394 1.704 10 0 CDAERP CCC[NH2+]CC(C)(C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001275733459 1166704154 /nfs/dbraw/zinc/70/41/54/1166704154.db2.gz YIWLBFRCIGQAIY-UHFFFAOYSA-N 2 0 281.444 1.566 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCC[C@H](C)[C@@H]1CC[NH2+]CC ZINC001316683835 1167453679 /nfs/dbraw/zinc/45/36/79/1167453679.db2.gz GBVKWQKSRPFOHN-GJZGRUSLSA-N 2 0 283.460 1.955 10 0 CDAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]CCOC ZINC001566535991 1168322716 /nfs/dbraw/zinc/32/27/16/1168322716.db2.gz YOFCZLKKDSQTTD-GJZGRUSLSA-N 2 0 299.459 1.334 10 0 CDAERP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1 ZINC001647010616 1168346046 /nfs/dbraw/zinc/34/60/46/1168346046.db2.gz MVLDUWXOZQIMCA-ZNMIVQPWSA-N 2 0 291.439 1.319 10 0 CDAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CCC2CC2)C1 ZINC001566901472 1168461613 /nfs/dbraw/zinc/46/16/13/1168461613.db2.gz FOBDJMAGSULBGR-HZPDHXFCSA-N 2 0 293.455 1.709 10 0 CDAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]CC1=CCCCC1 ZINC001567082573 1168552453 /nfs/dbraw/zinc/55/24/53/1168552453.db2.gz RJNNMAVGCHVAKF-AWEZNQCLSA-N 2 0 281.444 1.921 10 0 CDAERP CCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CN(CC)CCO2)C1 ZINC001567109240 1168564175 /nfs/dbraw/zinc/56/41/75/1168564175.db2.gz YYYMYLVDYWEVAN-LSDHHAIUSA-N 2 0 297.443 1.088 10 0 CDAERP CC(C)CC[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001568873435 1169527864 /nfs/dbraw/zinc/52/78/64/1169527864.db2.gz MHGNXHVWVRTAIS-IYKSTZQJSA-N 2 0 281.444 1.779 10 0 CDAERP O=C(NC/C=C/C[NH2+]CCC1CC1)C12CCC[NH+]1CCC2 ZINC001568880084 1169531861 /nfs/dbraw/zinc/53/18/61/1169531861.db2.gz UMOVZHJHXVQBEE-OWOJBTEDSA-N 2 0 291.439 1.677 10 0 CDAERP CC(C)C[N@@H+]1CC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001569381448 1169832335 /nfs/dbraw/zinc/83/23/35/1169832335.db2.gz PNZQVAFTGRPCMW-CQSZACIVSA-N 2 0 269.433 1.565 10 0 CDAERP C[NH+](C)CCC(=O)N1CC[C@H](CC[NH2+]CC2CCCC2)C1 ZINC001570001118 1170056577 /nfs/dbraw/zinc/05/65/77/1170056577.db2.gz ZZVRYBGYMAQZIC-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H](C[NH2+]CCF)CC2)C1 ZINC001570044585 1170062704 /nfs/dbraw/zinc/06/27/04/1170062704.db2.gz HBJSBENCHZAXAB-KKUMJFAQSA-N 2 0 299.434 1.562 10 0 CDAERP COCCCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001570712511 1170249006 /nfs/dbraw/zinc/24/90/06/1170249006.db2.gz MKDINDJFZMXBSE-RBSFLKMASA-N 2 0 299.459 1.190 10 0 CDAERP CC[NH2+]C[C@@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C ZINC001571636521 1170504273 /nfs/dbraw/zinc/50/42/73/1170504273.db2.gz CENHYBBBPGDCTI-CYBMUJFWSA-N 2 0 271.449 1.859 10 0 CDAERP C([C@@H]1CCOC1)[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001620577512 1172326998 /nfs/dbraw/zinc/32/69/98/1172326998.db2.gz LRMQTHMKUPAFPG-ZDUSSCGKSA-N 2 0 268.401 1.256 10 0 CDAERP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CC1=CCCCC1 ZINC001662325373 1172530792 /nfs/dbraw/zinc/53/07/92/1172530792.db2.gz QAIACMOLLAAWPB-CQSZACIVSA-N 2 0 293.455 1.923 10 0 CDAERP CC(C)CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001662685356 1172580358 /nfs/dbraw/zinc/58/03/58/1172580358.db2.gz HZCOEABGDCUMCN-HZPDHXFCSA-N 2 0 295.471 1.812 10 0 CDAERP CC[N@@H+]1CCCN(C(=O)[C@@H](C)CC[NH+](C)C)CC1 ZINC001585262158 1172885583 /nfs/dbraw/zinc/88/55/83/1172885583.db2.gz YRXIRBCVARXQFD-ZDUSSCGKSA-N 2 0 255.406 1.128 10 0 CDAERP CCC[NH2+]C[C@](C)(NC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001666021339 1173101596 /nfs/dbraw/zinc/10/15/96/1173101596.db2.gz BNQYNDVZJIZADD-BBRMVZONSA-N 2 0 281.444 1.613 10 0 CDAERP C[C@@H](C[NH2+]CC1=CCCCC1)N(C)C(=O)CC[NH+](C)C ZINC001666983205 1173216953 /nfs/dbraw/zinc/21/69/53/1173216953.db2.gz WKPMRSRSXAJDFV-AWEZNQCLSA-N 2 0 281.444 1.875 10 0 CDAERP C[C@@H](C[NH2+]CCF)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001667008424 1173221538 /nfs/dbraw/zinc/22/15/38/1173221538.db2.gz UCCHWZWTYARPEA-LBPRGKRZSA-N 2 0 273.396 1.124 10 0 CDAERP C[C@@H](CC[NH2+]CC1CC(C)C1)NC(=O)CC[NH+](C)C ZINC001668196025 1173380960 /nfs/dbraw/zinc/38/09/60/1173380960.db2.gz CHPRIHFLJNLLOG-MOKVOYLWSA-N 2 0 269.433 1.469 10 0 CDAERP CCCC[NH2+]CC[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001672859096 1173805136 /nfs/dbraw/zinc/80/51/36/1173805136.db2.gz PKFMUCBWDUJGGR-OAHLLOKOSA-N 2 0 295.471 1.957 10 0 CDAERP CCCCC[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001674257990 1173928230 /nfs/dbraw/zinc/92/82/30/1173928230.db2.gz MNIFXCMMIIEQFE-KBPBESRZSA-N 2 0 269.433 1.613 10 0 CDAERP C[NH+]1CCC(CC(=O)N[C@H]2C[C@H](C[NH2+]CCF)C2)CC1 ZINC001675802381 1174151331 /nfs/dbraw/zinc/15/13/31/1174151331.db2.gz UVAYEGKHCPRVKG-HDJSIYSDSA-N 2 0 285.407 1.172 10 0 CDAERP CCC[NH2+]C[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001690421914 1175467945 /nfs/dbraw/zinc/46/79/45/1175467945.db2.gz YMLMOYPPISJUTR-CQSZACIVSA-N 2 0 269.433 1.566 10 0 CDAERP CC[NH2+]CC[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001698919111 1175985110 /nfs/dbraw/zinc/98/51/10/1175985110.db2.gz WIOBQCVHAGDHQF-ZDUSSCGKSA-N 2 0 255.406 1.319 10 0 CDAERP C[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H]1C[NH2+]CCF ZINC001698951552 1175993655 /nfs/dbraw/zinc/99/36/55/1175993655.db2.gz ZNGCNAPFKBKUOJ-UONOGXRCSA-N 2 0 299.434 1.514 10 0 CDAERP C[C@@H](CC[NH2+]Cc1ccccc1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001699088429 1176083842 /nfs/dbraw/zinc/08/38/42/1176083842.db2.gz PIQYOOCCRNUHLA-HOCLYGCPSA-N 2 0 289.423 1.765 10 0 CDAERP C[C@H](CC[NH2+]CCO)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001699113317 1176099742 /nfs/dbraw/zinc/09/97/42/1176099742.db2.gz SNSCYDLIFIYVCH-CYBMUJFWSA-N 2 0 299.459 1.116 10 0 CDAERP CCC[NH2+]CC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001699154273 1176115621 /nfs/dbraw/zinc/11/56/21/1176115621.db2.gz UYYSPLQMORVNBI-CHWSQXEVSA-N 2 0 257.422 1.467 10 0 CDAERP CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001699313445 1176213891 /nfs/dbraw/zinc/21/38/91/1176213891.db2.gz CWUUSTFIYPSLSI-TYHIMRJMSA-N 2 0 265.401 1.285 10 0 CDAERP CC(C)C[NH2+]C/C=C/CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001699337983 1176257852 /nfs/dbraw/zinc/25/78/52/1176257852.db2.gz MLZKZELPQKZKEO-CWDCEQMOSA-N 2 0 279.428 1.390 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH2+]C[C@@H]1CCCOC1 ZINC001699553679 1176472328 /nfs/dbraw/zinc/47/23/28/1176472328.db2.gz FOXRFFCIPSWDJQ-HNNXBMFYSA-N 2 0 299.459 1.191 10 0 CDAERP C[N@H+](CC(=O)N[C@H](C[NH2+]C/C=C/Cl)C1CC1)C1CCC1 ZINC001699580240 1176482694 /nfs/dbraw/zinc/48/26/94/1176482694.db2.gz VINIPGTZNAYTQH-SMDADKPZSA-N 2 0 299.846 1.708 10 0 CDAERP C[NH+](C)CCCCC(=O)N[C@H]1CCC[N@H+](CCCO)CC1 ZINC001700205854 1176797593 /nfs/dbraw/zinc/79/75/93/1176797593.db2.gz ZTMASOPKDBDLLM-HNNXBMFYSA-N 2 0 299.459 1.071 10 0 CDAERP CC(C)CC[NH2+]CC1CC(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001700381780 1176885563 /nfs/dbraw/zinc/88/55/63/1176885563.db2.gz CQQJPGOUBFKFTL-UHFFFAOYSA-N 2 0 283.460 1.857 10 0 CDAERP CC[C@H](C)C[N@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001700474552 1176962272 /nfs/dbraw/zinc/96/22/72/1176962272.db2.gz QIEAQIXOHAYLFA-STQMWFEESA-N 2 0 257.422 1.421 10 0 CDAERP CC(C)[NH2+]CCC[C@H](C)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001700689665 1177076484 /nfs/dbraw/zinc/07/64/84/1177076484.db2.gz XEDBYAAEWIZLMJ-CABCVRRESA-N 2 0 299.459 1.238 10 0 CDAERP COCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001713202334 1178428425 /nfs/dbraw/zinc/42/84/25/1178428425.db2.gz APXIAISNBMCVRA-KFWWJZLASA-N 2 0 297.443 1.134 10 0 CDAERP CC(C)CC[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001713421965 1178551354 /nfs/dbraw/zinc/55/13/54/1178551354.db2.gz BSZJCXDEZGNMBF-KGLIPLIRSA-N 2 0 269.433 1.469 10 0 CDAERP CC(C)CC[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001713477426 1178592776 /nfs/dbraw/zinc/59/27/76/1178592776.db2.gz OZRCRJMDEQXEKY-CYBMUJFWSA-N 2 0 255.406 1.032 10 0 CDAERP Cc1cc(C[NH2+]CCN(C)C(=O)[C@@H]2CCC[N@@H+]2C)sn1 ZINC001713577818 1178663107 /nfs/dbraw/zinc/66/31/07/1178663107.db2.gz GWIWNHNKVXDHHT-ZDUSSCGKSA-N 2 0 296.440 1.094 10 0 CDAERP CC[C@@H](F)C[NH2+]CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001713592350 1178674112 /nfs/dbraw/zinc/67/41/12/1178674112.db2.gz SFXQKYDZKZGFMX-KGLIPLIRSA-N 2 0 285.407 1.124 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]CCC(C)(C)C)C1 ZINC001713634145 1178690253 /nfs/dbraw/zinc/69/02/53/1178690253.db2.gz JGFIFDYZVVRQOX-CQSZACIVSA-N 2 0 283.460 1.812 10 0 CDAERP CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](CC)C1 ZINC001713720293 1178721818 /nfs/dbraw/zinc/72/18/18/1178721818.db2.gz SNFBNKAXFUDLFR-ZDUSSCGKSA-N 2 0 255.406 1.271 10 0 CDAERP CC[C@H](C(=O)N1CCC[C@H]([NH2+]CCC[C@H](C)O)C1)[NH+](C)C ZINC001713769640 1178744273 /nfs/dbraw/zinc/74/42/73/1178744273.db2.gz FWRLFSAKQIXOHO-SOUVJXGZSA-N 2 0 299.459 1.068 10 0 CDAERP CC[C@@H](F)C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001713776096 1178748707 /nfs/dbraw/zinc/74/87/07/1178748707.db2.gz YZZXKYNITIOLGZ-ZIAGYGMSSA-N 2 0 299.434 1.657 10 0 CDAERP CCOCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001713948713 1178879218 /nfs/dbraw/zinc/87/92/18/1178879218.db2.gz WNWCCKMJEVGIGG-RBSFLKMASA-N 2 0 297.443 1.133 10 0 CDAERP CC[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001713958442 1178887728 /nfs/dbraw/zinc/88/77/28/1178887728.db2.gz DIVIUPJPSCAUGP-AVGNSLFASA-N 2 0 255.406 1.221 10 0 CDAERP CC[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]C(C)C ZINC001714073921 1178961416 /nfs/dbraw/zinc/96/14/16/1178961416.db2.gz OYQLFSUDWUVELQ-UONOGXRCSA-N 2 0 267.417 1.221 10 0 CDAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC1=CCCCC1 ZINC001714234836 1179038027 /nfs/dbraw/zinc/03/80/27/1179038027.db2.gz NMTIKXJTPKIIGS-SQWLQELKSA-N 2 0 293.455 1.921 10 0 CDAERP CC/C=C/CC[NH2+][C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001714237302 1179038606 /nfs/dbraw/zinc/03/86/06/1179038606.db2.gz YBXAKBGRWSICLF-SBAHZNLJSA-N 2 0 293.455 1.779 10 0 CDAERP CC(C)=CC[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001714657730 1179303734 /nfs/dbraw/zinc/30/37/34/1179303734.db2.gz VQJHJSDZOMQJOD-CQSZACIVSA-N 2 0 281.444 1.873 10 0 CDAERP C[C@H](C[NH2+]C/C=C\Cl)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001714821758 1179411356 /nfs/dbraw/zinc/41/13/56/1179411356.db2.gz IIFVANXELRFEKV-RMKKPPKKSA-N 2 0 287.835 1.517 10 0 CDAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CC)[NH2+]C(C)C ZINC001715061153 1179534985 /nfs/dbraw/zinc/53/49/85/1179534985.db2.gz QFLOZGYNTWYYBP-ZIAGYGMSSA-N 2 0 269.433 1.754 10 0 CDAERP CC(C)=CC[NH2+]C[C@H](C)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001715371338 1179646737 /nfs/dbraw/zinc/64/67/37/1179646737.db2.gz GTTLNLIKQLWESJ-GJZGRUSLSA-N 2 0 281.444 1.731 10 0 CDAERP C[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)[C@@H]1C[NH2+]CCF ZINC001715384125 1179652839 /nfs/dbraw/zinc/65/28/39/1179652839.db2.gz IKGOHFSRQULKFT-UKRRQHHQSA-N 2 0 299.434 1.657 10 0 CDAERP CC(C)OCC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001715506969 1179687544 /nfs/dbraw/zinc/68/75/44/1179687544.db2.gz ONBPHSXOPKMNDF-LSDHHAIUSA-N 2 0 299.459 1.094 10 0 CDAERP CC[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C(C)C ZINC001715716588 1179775233 /nfs/dbraw/zinc/77/52/33/1179775233.db2.gz DBTDTDMZBBAMFW-ZDUSSCGKSA-N 2 0 269.433 1.611 10 0 CDAERP CCN(CC[NH2+]CC(C)C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001715751189 1179790009 /nfs/dbraw/zinc/79/00/09/1179790009.db2.gz HNARBZLVHCQUQQ-GJZGRUSLSA-N 2 0 283.460 1.811 10 0 CDAERP C[C@@H](CC[NH2+]CCC(C)(C)C)NC(=O)Cc1c[nH]cn1 ZINC001716176755 1180083429 /nfs/dbraw/zinc/08/34/29/1180083429.db2.gz OZGMIJIUXYOALS-LBPRGKRZSA-N 2 0 280.416 1.873 10 0 CDAERP C[C@H](CC[NH2+]CC1CC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001716188172 1180089387 /nfs/dbraw/zinc/08/93/87/1180089387.db2.gz YKXACDAMWBKNQQ-OCCSQVGLSA-N 2 0 267.417 1.223 10 0 CDAERP CCOCC[NH2+]CCN(CC)C(=O)C12CCC[NH+]1CCC2 ZINC001716227584 1180110370 /nfs/dbraw/zinc/11/03/70/1180110370.db2.gz YTLFZWMDPWJEMX-UHFFFAOYSA-N 2 0 297.443 1.089 10 0 CDAERP CCCCC[NH2+]C[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001716460149 1180222919 /nfs/dbraw/zinc/22/29/19/1180222919.db2.gz CSOGLQNZRMRGFA-KBPBESRZSA-N 2 0 269.433 1.613 10 0 CDAERP C[C@H](C[N@H+](C)CCC1CC1)NC(=O)[C@@H]1CCC[NH+]1C ZINC001716473474 1180234958 /nfs/dbraw/zinc/23/49/58/1180234958.db2.gz WXZFKNSVKAHAFS-OCCSQVGLSA-N 2 0 267.417 1.317 10 0 CDAERP CC(C)=CC[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001716549629 1180280931 /nfs/dbraw/zinc/28/09/31/1180280931.db2.gz ZMDQSXNTOYVXPK-HNNXBMFYSA-N 2 0 281.444 1.875 10 0 CDAERP CC(C)[NH2+]CCCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001716573244 1180289097 /nfs/dbraw/zinc/28/90/97/1180289097.db2.gz WHVZPNSJLOBIPL-LSDHHAIUSA-N 2 0 281.444 1.850 10 0 CDAERP CC1CC(C[NH2+]CCCN(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001716586056 1180294488 /nfs/dbraw/zinc/29/44/88/1180294488.db2.gz WIZKLAZALNVZOH-NRXISQOPSA-N 2 0 281.444 1.422 10 0 CDAERP CCCC[NH2+][C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001717279006 1180602173 /nfs/dbraw/zinc/60/21/73/1180602173.db2.gz HATOXGNOUKQXGD-KBPBESRZSA-N 2 0 281.444 1.707 10 0 CDAERP CC(C)OCC[NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001717285643 1180604079 /nfs/dbraw/zinc/60/40/79/1180604079.db2.gz HVNJLOOCIREGHY-CABCVRRESA-N 2 0 299.459 1.190 10 0 CDAERP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H](C[NH2+]CCF)C1CC1 ZINC001717732621 1180815119 /nfs/dbraw/zinc/81/51/19/1180815119.db2.gz PUFWJNAQSYKFAQ-UONOGXRCSA-N 2 0 285.407 1.267 10 0 CDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCCF)[C@H]1C ZINC001717805865 1180865459 /nfs/dbraw/zinc/86/54/59/1180865459.db2.gz PWYHERQXSAXQFK-CHWSQXEVSA-N 2 0 273.396 1.265 10 0 CDAERP C[NH+](C)CC1(C(=O)N[C@H]2CCCC[C@@H]2C[NH2+]CCF)CC1 ZINC001722946791 1181498860 /nfs/dbraw/zinc/49/88/60/1181498860.db2.gz XFVNUMNAFSOIQM-KGLIPLIRSA-N 2 0 299.434 1.562 10 0 CDAERP CC[NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001723102506 1181518509 /nfs/dbraw/zinc/51/85/09/1181518509.db2.gz GEHUXZYZQRSVRB-STQMWFEESA-N 2 0 255.406 1.175 10 0 CDAERP C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1[NH2+]CCCF ZINC001724938776 1181800858 /nfs/dbraw/zinc/80/08/58/1181800858.db2.gz QPNANTFJIRVRKF-KBPBESRZSA-N 2 0 297.418 1.411 10 0 CDAERP CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001725128815 1181876774 /nfs/dbraw/zinc/87/67/74/1181876774.db2.gz NATOPWPULVLAAF-QWHCGFSZSA-N 2 0 255.406 1.365 10 0 CDAERP CC[NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001725368487 1181977050 /nfs/dbraw/zinc/97/70/50/1181977050.db2.gz DVODEJMRVYCTRW-HDJSIYSDSA-N 2 0 267.417 1.367 10 0 CDAERP CC(C)[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCCF ZINC001725440548 1182000653 /nfs/dbraw/zinc/00/06/53/1182000653.db2.gz LBCAYSVLQXJMBA-KGLIPLIRSA-N 2 0 287.423 1.561 10 0 CDAERP CCOCC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)[C@@H]1C ZINC001725614960 1182072064 /nfs/dbraw/zinc/07/20/64/1182072064.db2.gz AZHBJNARSZQQJF-GJZGRUSLSA-N 2 0 299.459 1.332 10 0 CDAERP C[C@@H]1CC[N@H+](CC(=O)N(C)C2CC([NH2+]CCCF)C2)C1 ZINC001725786228 1182131945 /nfs/dbraw/zinc/13/19/45/1182131945.db2.gz MYBHNVRGZOLZMO-IYXRBSQSSA-N 2 0 285.407 1.267 10 0 CDAERP CC[N@H+]1CC=C(CNC(=O)C[NH+](C)C(C)C)CC1 ZINC001725828077 1182143519 /nfs/dbraw/zinc/14/35/19/1182143519.db2.gz DCWPRRXLVGOAKG-UHFFFAOYSA-N 2 0 253.390 1.095 10 0 CDAERP CCC[N@H+](CC)CCN[C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000262038475 1182206339 /nfs/dbraw/zinc/20/63/39/1182206339.db2.gz YGIMORGJEOSOFS-OAGGEKHMSA-N 2 0 283.460 1.465 10 0 CDAERP CC(C)CC[NH2+]C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001731529801 1182435678 /nfs/dbraw/zinc/43/56/78/1182435678.db2.gz MKOOGGCNTNYESO-INIZCTEOSA-N 2 0 295.471 1.957 10 0 CDAERP COCCC[N@H+](C)CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001731791843 1182583202 /nfs/dbraw/zinc/58/32/02/1182583202.db2.gz MGEFCXPFVQEBPA-CABCVRRESA-N 2 0 299.459 1.191 10 0 CDAERP CCCCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001731860099 1182633164 /nfs/dbraw/zinc/63/31/64/1182633164.db2.gz IFKQSNONKDQJRE-LSDHHAIUSA-N 2 0 281.444 1.566 10 0 CDAERP C[C@H](F)CC[NH2+]CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001731975198 1182710284 /nfs/dbraw/zinc/71/02/84/1182710284.db2.gz PITYRAFLFWSDSF-STQMWFEESA-N 2 0 273.396 1.124 10 0 CDAERP C[N@@H+]1CCC[C@H]1C(=O)NC1(C[NH2+]CCF)CCCC1 ZINC001732226669 1182869993 /nfs/dbraw/zinc/86/99/93/1182869993.db2.gz COBDMTCODNOUAO-LBPRGKRZSA-N 2 0 271.380 1.069 10 0 CDAERP C[C@@H]1[C@H](C(=O)N[C@@](C)(C[NH2+]CCF)C2CC2)CC[N@@H+]1C ZINC001732287454 1182896222 /nfs/dbraw/zinc/89/62/22/1182896222.db2.gz SYOMTSHELUHVMT-KYOSRNDESA-N 2 0 285.407 1.171 10 0 CDAERP CC(C)CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001732370255 1182932245 /nfs/dbraw/zinc/93/22/45/1182932245.db2.gz PPSNLJXLXDSVBU-ZIAGYGMSSA-N 2 0 269.433 1.326 10 0 CDAERP CC[C@H](F)C[NH2+]CC[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001732702936 1183093503 /nfs/dbraw/zinc/09/35/03/1183093503.db2.gz QZWOMLQPSQTOMH-STQMWFEESA-N 2 0 287.423 1.703 10 0 CDAERP CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001732709266 1183094396 /nfs/dbraw/zinc/09/43/96/1183094396.db2.gz UWOBQYIPPBCAKA-KGLIPLIRSA-N 2 0 269.433 1.611 10 0 CDAERP CC(C)[N@H+](C)CC(=O)NC/C=C/C[NH2+]C[C@@H]1CCCOC1 ZINC001732941967 1183192526 /nfs/dbraw/zinc/19/25/26/1183192526.db2.gz IHTFTTWSYVBJQT-RGDDUWESSA-N 2 0 297.443 1.015 10 0 CDAERP CC[NH2+]C/C=C/CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001732943267 1183192602 /nfs/dbraw/zinc/19/26/02/1183192602.db2.gz NYPZYQVCNPXCRX-LQYUOIDQSA-N 2 0 281.444 1.779 10 0 CDAERP CC[NH2+]CC[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001733651575 1183489840 /nfs/dbraw/zinc/48/98/40/1183489840.db2.gz FGHZMEVNWKCALT-CYBMUJFWSA-N 2 0 267.417 1.319 10 0 CDAERP CCCC[NH2+]CC1CC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001733954116 1183582413 /nfs/dbraw/zinc/58/24/13/1183582413.db2.gz YUZCDMVQIRGHEG-WLYUNCDWSA-N 2 0 281.444 1.613 10 0 CDAERP CC(C)=CC[N@@H+](C)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001734052225 1183637810 /nfs/dbraw/zinc/63/78/10/1183637810.db2.gz VLOBFNDYZGWVGQ-CQSZACIVSA-N 2 0 269.433 1.731 10 0 CDAERP CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001734335950 1183737710 /nfs/dbraw/zinc/73/77/10/1183737710.db2.gz YCQSROORXTVGPJ-QWHCGFSZSA-N 2 0 255.406 1.317 10 0 CDAERP CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001734479292 1183794292 /nfs/dbraw/zinc/79/42/92/1183794292.db2.gz MFEZQPBUFBDYCD-HIFRSBDPSA-N 2 0 281.444 1.613 10 0 CDAERP CCOCC[NH2+][C@H]1CN(C(=O)CC[N@H+](C)CC)CC1(C)C ZINC001734502816 1183802181 /nfs/dbraw/zinc/80/21/81/1183802181.db2.gz NUZJOOKJGSELDL-AWEZNQCLSA-N 2 0 299.459 1.191 10 0 CDAERP CC[C@H](C)C[C@H]([NH3+])C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000400814913 1186380043 /nfs/dbraw/zinc/38/00/43/1186380043.db2.gz NFDFFMXWOLARDQ-UBHSHLNASA-N 2 0 267.417 1.303 10 0 CDAERP